diff --git a/cell_annotation_all.csv b/cell_annotation_all.csv
index dbe1076..29d947e 100644
--- a/cell_annotation_all.csv
+++ b/cell_annotation_all.csv
@@ -1,2139 +1,2151 @@
-"unique.cellid","unique.tissueid","CGP.cellid","CCLE.cellid","GSK.cellid","GRAY.cellid","GNE.cellid","CTRP.cellid","CGP_EMTAB3610.cellid","GDSC_rnaseq.cellid","CCLE_exome.cellid","CCLE_rnaseq.cellid","GDSC.SNP.cellid","Ben_Neel.cellid","CTRPv2.cellid","gCSI.cellid","GDSC1000.cellid","NCI60.cellid","PRISM.cellid","CGP.tissueid","CCLE.tissueid","GSK.tissueid","GRAY.tissueid","GNE.tissueid","CTRP.tissueid","CGP_EMTAB3610.tissueid","CCLE_rnaseq.tissueid","GDSC.SNP.tissueid","Cescon.cellid","Ben_Neel.tissueid","COSMIC.tissueid","CTRPv2.tissueid","gCSI.tissueid","GDSC1000.tissueid","Cleveland.cellid","Cleveland.tissueid","FIMM.cellid","FIMM.tissueid","NCI60.tissueid","PRISM.tissueid","Cellosaurus.Accession.id","PharmacoDB.id","GDSC_Exome.cellid","unique.tissueid.fromstudies","Cellosaurus.Disease.Type","CellLine.Type","Metastatic","DepMap.cellid"
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-"A375SKINCJ1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","A375SKINCJ1652021_","","","","",NA,"ACH-002001"
-"A375SKINCJ2","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","A375SKINCJ2662021_","","","","",NA,"ACH-002002"
-"A375SKINCJ3","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","A375SKINCJ3672021_","","","","",NA,"ACH-002003"
-"A4/Fukuda","Lymphoid","A4-Fuk","A4/Fuk","","","A4/Fuk","","A4-Fuk","","A4_Fuk","A4_Fuk","A4-Fuk","","A4FUK","A4-Fuk","A4-Fuk","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","","Skin","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1064","A4Fuk_44_2019","A4-Fuk","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000157"
-"A673STAG2KO16","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","A673STAG2KO16692021_","","","","",NA,"ACH-001007"
-"A673STAG2KO45","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","A673STAG2KO45702021_","","","","",NA,"ACH-001008"
-"A673STAG2NT14","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","A673STAG2NT14712021_","","","","",NA,"ACH-001009"
-"A673STAG2NT23","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","A673STAG2NT23722021_","","","","",NA,"ACH-001010"
-"A7","Skin","","","A7","","","","","","","","","","","","","","","","","skin","","","","","","","","","","","","","","","","","","","","A7732021_","","skin","","",NA,""
-"ABC-1","Lung","ABC-1","ABC-1","","","ABC-1","","ABC-1","","ABC-1","ABC-1","ABC-1","","","ABC-1","ABC-1","","ABC1_LUNG","lung","lung","","","Lung","","Lung:NSCLC","lung","lung","","","lung","","Lung","lung","","","","","","lung","CVCL_1066","ABC1_51_2019","ABC-1","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000528"
-"ACC-MESO-1","Pleura","","ACC-MESO-1","","","","","","","ACC-MESO-1","ACC-MESO-1","","","ACCMESO1","","","","ACCMESO1_PLEURA","","pleura","","","","","","pleura","","","","pleura","pleura","","","ACCMESO1","pleura","","","","mesothelioma","CVCL_5113","ACCMESO1_52_2019","","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000086"
-"ACCS","Bladder/Urinary Tract","","ACCS","","","","","","","","","","","","","","","","","urinary_tract","","","","","","","","","","","","","","","","","","","","CVCL_6876","ACCS_53_2019","","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-001011"
-"ACHN","Kidney","ACHN","ACHN","ACHN","","ACHN","","ACHN","","ACHN","ACHN","ACHN","","ACHN","ACHN","ACHN","ACHN///RE.ACHN","ACHN_KIDNEY","kidney","kidney","kidney","","Kidney","","Kidney","kidney","kidney","","","kidney","kidney","Kidney","kidney","ACHN","kidney","","","Renal Cancer///Renal","kidney","CVCL_1067","ACHN_54_2019","ACHN","kidney","Papillary renal cell carcinoma","Cancer cell line",TRUE,"ACH-000046"
-"ACN","Peripheral Nervous System","ACN","","","","","","ACN","ACN","","","ACN","","","","","","","autonomic_ganglia","","","","","","autonomic_ganglia","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1068","ACN_55_2019","","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-002389"
-"AGPN","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_X981","AGPN792021_","","","","",NA,"ACH-001022"
-"AGS","Esophagus/Stomach","AGS","AGS","AGS","","AGS","AGS","AGS","","AGS","AGS","AGS","","AGS","AGS","AGS","","AGS_STOMACH","stomach","stomach","stomach","","Stomach","STOMACH","Stomach","stomach","digestive_system","","","stomach","stomach","Stomach","stomach","AGS","stomach","","","","gastric","CVCL_0139","AGS_56_2019","AGS","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000880"
-"ALL-PO","Lymphoid","ALL-PO","","","","","","ALL-PO","ALL-PO","","","ALL-PO","","","","ALL-PO","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1069","ALLPO_58_2019","ALL-PO","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002209"
-"ALL-SIL","Lymphoid","","ALL-SIL","","","","","ALL-SIL","","ALL-SIL","ALL-SIL","ALL-SIL","","ALLSIL","","ALL-SIL","","","","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1805","ALLSIL_59_2019","ALL-SIL","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000105"
-"AM-38","CNS/Brain","AM-38","AM-38","","","","","AM-38","","AM-38","AM-38","AM-38","","AM38","AM-38","AM-38","","","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","","","","central_nervous_system","central_nervous_system","Brain","central_nervous_system","AM38","central_nervous_system","","","","","CVCL_1070","AM38_60_2019","AM-38","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000269"
-"AML-193","Myeloid","AML-193","AML-193","","","","","","","AML-193","AML-193","","","AML193","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_1071","AML193_61_2019","","haematopoietic_and_lymphoid_tissue","Childhood acute myeloid leukemia","Cancer cell line",NA,"ACH-000557"
-"AMO1","Lymphoid","","AMO-1","","","AMO-1","AMO1","AMO-1","","AMO-1","AMO-1","AMO-1","","AMO1","AMO-1","AMO-1","","","","haematopoietic_and_lymphoid_tissue","","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1806","AMO1_62_2019","AMO-1","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000838"
-"AN3-CA","Uterus","AN3-CA","AN3 CA","AN3CA","","AN3 CA","","AN3-CA","","AN3_CA","AN3_CA","AN3-CA","","AN3CA","AN3 CA","AN3-CA","","AN3CA_ENDOMETRIUM","endometrium","endometrium","uterus","","Uterus","","Uterus","endometrium","urogenital_system","","","endometrium","endometrium","Uterus","endometrium","AN3CA","endometrium","","","","uterus","CVCL_0028","AN3CA_63_2019","AN3-CA","endometrium","Endometrial adenocarcinoma","Cancer cell line",TRUE,"ACH-000940"
-"ANGM-CSS","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2297","ANGM-CSS872021_","","","","",NA,"ACH-001329"
-"ARH-77","Lymphoid","ARH-77","","ARH77","","","","ARH-77","ARH-77","","","ARH-77","","","","ARH-77","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1072","ARH77_64_2019","ARH-77","haematopoietic_and_lymphoid_tissue","","Transformed cell line",NA,"ACH-002210"
-"ASH-3","Thyroid","","","","","","","ASH-3","ASH-3","","","ASH-3","","","ASH-3","ASH-3","","","","","","","","","Thyroid","","","","","thyroid","","","thyroid","","","","","","","CVCL_2856","ASH3_65_2019","ASH-3","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",NA,"ACH-001443"
-"ATN-1","Lymphoid","ATN-1","","","","","","ATN-1","ATN-1","","","ATN-1","","","","ATN-1","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1073","ATN1_68_2019","ATN-1","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002058"
-"ATRFLOX","Bowel","","","","","ATRFLOX","","","","","","","","","ATRFLOX","","","","","","","","Colon","","","","","","","","","","","","","","","","","CVCL_2299","ATRFLOX_69_2019","","large_intestine","Colon carcinoma","Cancer cell line",NA,""
-"AU565","Breast","AU565","AU565","","AU565","","","AU565","","AU565","AU565","AU565","au565///AU655///au655","AU565","AU565","AU565","","","breast","breast","","breast","","","Breast","breast","breast","au565///au655///AU655","breast","breast","breast","Breast","breast","AU565","breast","","","","","CVCL_1074","AU565_70_2019","AU565","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000248"
-"AZ-521","Esophagus/Stomach","","AZ-521","","","","","","","","","","","","","","","","","stomach","","","","","","","","","","stomach","","","","","","","","","","CVCL_2862","AZ521_72_2019","","stomach","Duodenal adenocarcinoma","Cancer cell line",NA,"ACH-001015"
-"AsPC-1","Pancreas","AsPC-1","AsPC-1","ASPC1","","AsPC-1","","AsPC-1","","AsPC-1","AsPC-1","AsPC-1","","ASPC1","AsPC-1","AsPC-1","","ASPC1_PANCREAS","pancreas","pancreas","pancreas","","Pancreas","","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","ASPC1","pancreas","","","","pancreas","CVCL_0152","AsPC1_67_2019","AsPC-1","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-000222"
-"Aska-SS","Soft Tissue","","","","","","","","","","","","","ASKA","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6C43","ASKA_66_2019","","","Biphasic synovial sarcoma","Cancer cell line",NA,""
-"B-CPAP","Thyroid","BCPAP","B-CPAP","","","","","BCPAP","","B-CPAP","B-CPAP","BCPAP///B-CPAP","","BCPAP","B-CPAP","BCPAP","","BCPAP_THYROID","thyroid","thyroid","","","","","Thyroid","thyroid","thyroid","","","thyroid","thyroid","Thyroid","thyroid","BCPAP","thyroid","","","","thyroid","CVCL_0153","BCPAP_82_2019","BCPAP","thyroid","Poorly differentiated thyroid gland carcinoma","Cancer cell line",NA,"ACH-000456"
-"B2-17","CNS/Brain","B2-17","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","central_nervous_system","","","","","","","","","","","B2-17972021_","","central_nervous_system","Astrocytoma","",NA,""
-"BALL-1","Lymphoid","BALL-1","","","","","","BALL-1","BALL-1","","","BALL-1","","","","BALL-1","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1075","BALL1_73_2019","BALL-1","haematopoietic_and_lymphoid_tissue","Adult B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002211"
-"BB30-HNC","Head and Neck","BB30-HNC","","","","","","BB30-HNC","BB30-HNC","","","BB30-HNC","","","","BB30-HNC","","","upper_aerodigestive_tract","","","","","","H&N","","aero_digestive_tract","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_1076","BB30HNC_74_2019","BB30-HNC","upper_aerodigestive_tract","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-002212"
-"BB30-PBL","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU86","BB30-PBL1002021_","","","","",NA,"ACH-002342"
-"BB49-EBV","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU51","BB49-EBV1012021_","","","","",NA,"ACH-002343"
-"BB49-HNC","Head and Neck","BB49-HNC","","","","","","BB49-HNC","BB49-HNC","","","BB49-HNC","","","","BB49-HNC","","","upper_aerodigestive_tract","","","","","","H&N","","aero_digestive_tract","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_1077","BB49HNC_75_2019","BB49-HNC","upper_aerodigestive_tract","Floor of mouth squamous cell carcinoma","Cancer cell line",NA,"ACH-002213"
-"BB65-EBV","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6F66","BB65-EBV1032021_","","","","",NA,"ACH-002344"
-"BB65-RCC","Kidney","BB65-RCC","","","","","","BB65-RCC","BB65-RCC","","","BB65-RCC","","","","BB65-RCC","","","kidney","","","","","","Kidney","","kidney","","","kidney","","","kidney","","","","","","","CVCL_1078","BB65RCC_76_2019","BB65-RCC","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002090"
-"BC-1","Lymphoid","BC-1","","BC1","","","","BC-1","BC-1","","","BC-1","","","","BC-1","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1079","BC1_77_2019","BC-1","haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,"ACH-002214"
-"BC-2","Lymphoid","","","BC2","","","","","","","","","","","","","","","","","hematopoietic_and_lymphatic_system","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1856","BC2_78_2019","","haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,""
-"BC-3","Lymphoid","BC-3","","BC3","","","","","BC-3","","","BC-3","","","","BC-3","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","","","","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1080","BC3_79_2019","BC-3","haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,"ACH-002215"
-"BC-3C","Bladder/Urinary Tract","","BC-3C","","","","","","","BC-3C","BC-3C","","","BC3C","","","","BC3C_URINARY_TRACT","","urinary_tract","","","","","","urinary_tract","","","","urinary_tract","urinary_tract","","","BC3C","urinary_tract","","","","urinary_tract","CVCL_1958","BC3C_80_2019","","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000593"
-"BCP-1","Lymphoid","","BCP-1","","","","","","","BCP-1","BCP-1","","","BCP1","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_0107","BCP1_81_2019","","haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,"ACH-000923"
-"BDCM","Myeloid","","BDCM","BDCM","","","","","","BDCM","BDCM","","","BDCM","","","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_4613","BDCM_83_2019","","haematopoietic_and_lymphoid_tissue","Acute myeloid leukemia","Cancer cell line",NA,"ACH-000080"
-"BE-13","Lymphoid","BE-13","","","","","","BE-13","BE-13","","","BE-13","","","","BE-13","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1081","BE13_84_2019","BE-13","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002216"
-"BEN","Lung","BEN","BEN","","","BEN","BEN","BEN","","BEN","BEN","BEN","","BEN","BEN","BEN","","BEN_LUNG","lung","lung","","","Lung","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","","","","","","lung","CVCL_1082","BEN_87_2019","BEN","lung","Non-small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000603"
-"BFTC-905","Bladder/Urinary Tract","BFTC-905","BFTC-905","BFTC905","","BFTC-905","","BFTC-905","","BFTC-905","BFTC-905","BFTC-905","","BFTC905","BFTC-905","BFTC-905","","BFTC905_URINARY_TRACT","urinary_tract","urinary_tract","bladder","","Urinary Bladder","","Bladder","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","","urinary_tract","","","","","","urinary_tract","CVCL_1083","BFTC905_88_2019","BFTC-905","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000802"
-"BFTC-909","Bladder/Urinary Tract","BFTC-909","BFTC-909","","","BFTC-909","","BFTC-909","","BFTC-909","BFTC-909","BFTC-909","","BFTC909","BFTC-909","BFTC-909","","BFTC909_KIDNEY","urinary_tract","kidney","","","Kidney","","Kidney","urinary_tract","kidney","","","urinary_tract","kidney","Kidney","urinary_tract","","","","","","kidney","CVCL_1084","BFTC909_89_2019","BFTC-909","urinary_tract","Renal cell carcinoma","Cancer cell line",NA,"ACH-000792"
-"BGC-823","Cervix","","BGC-823","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3360","BGC823_90_2019","","stomach","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,"ACH-001017"
-"BHT-101","Thyroid","BHT-101","BHT-101","BHT101","","","","BHT-101","","BHT-101","BHT-101","BHT-101","","BHT101","","BHT-101","","BHT101_THYROID","thyroid","thyroid","thyroid_gland","","","","Thyroid","thyroid","thyroid","","","thyroid","thyroid","","thyroid","BHT101","thyroid","","","","thyroid","CVCL_1085","BHT101_91_2019","BHT-101","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",TRUE,"ACH-000191"
-"BHY","Head and Neck","BHY","BHY","","","BHY","","BHY","","BHY","BHY","BHY","","BHY","BHY","BHY","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","","Oral Cavity","","Head & Neck","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","upper_aerodigestive_tract","Head and Neck","upper_aerodigestive_tract","","","","","","","CVCL_1086","BHY_92_2019","BHY","upper_aerodigestive_tract","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-000548"
-"BICR 10","Head and Neck","","","","","BICR 10","","BICR10","BICR10","","","BICR10","","","BICR 10","BICR10","","","","","","","Oral Cavity","","Head & Neck","","","","","","","","oral_cavity","","","","","","","CVCL_2307","BICR10_93_2019","BICR10","oral_cavity","Buccal mucosa squamous cell carcinoma","Cancer cell line",NA,"ACH-001331"
-"BICR 16","Head and Neck","","BICR 16","","","","","","","BICR_16","BICR_16","","","BICR16","BICR 16","","","BICR16_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","BICR16","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_2308","BICR16_94_2019","","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000503"
-"BICR 18","Head and Neck","","BICR 18","","","","","","","BICR_18","BICR_18","","","BICR18","","","","","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","BICR18","upper_aerodigestive_tract","","","","","CVCL_2309","BICR18_95_2019","","upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000992"
-"BICR 22","Head and Neck","","BICR 22","","","BICR 22","","BICR22","","BICR_22","BICR_22","BICR22","","BICR22","BICR 22","BICR22","","","","upper_aerodigestive_tract","","","Tongue","","Head & Neck","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","upper_aerodigestive_tract","BICR22","upper_aerodigestive_tract","","","","","CVCL_2310","BICR22_96_2019","BICR22","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000794"
-"BICR 31","Head and Neck","","BICR 31","","","BICR 31","","BICR31","","BICR_31","BICR_31","BICR31","","BICR31","BICR 31","BICR31","","BICR31_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","Tongue","","Head & Neck","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","upper_aerodigestive_tract","BICR31","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_2312","BICR31_97_2019","BICR31","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000228"
-"BICR 56","Head and Neck","","BICR 56","","","","","","","BICR_56","BICR_56","","","BICR56","","","","BICR56_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","BICR56","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_2313","BICR56_98_2019","","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000771"
-"BICR 6","Head and Neck","","BICR 6","","","","","","","BICR_6","BICR_6","","","BICR6","","","","BICR6_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","BICR6","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_2314","BICR6_99_2019","","upper_aerodigestive_tract","Hypopharyngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000415"
-"BICR 78","Head and Neck","","","","","BICR 78","","BICR78","BICR78","","","BICR78","","","BICR 78","BICR78","","","","","","","Oral Cavity","","Head & Neck","","","","","","","","oral_cavity","","","","","","","CVCL_2315","BICR78_100_2019","BICR78","oral_cavity","Oral cavity squamous cell carcinoma","Cancer cell line",NA,"ACH-001332"
-"BIN-67","Ovary/Fallopian Tube","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_S987","BIN-671262021_","","","","",NA,"ACH-001278"
-"BJ1-hTERT","Skin","","BJ hTERT","","","","","","","","","","","","","","","","","skin","","","","","","","","","","","","","","","","","","","","CVCL_6573","BJhTERT_101_2019","","skin","","Telomerase immortalized cell line",NA,"ACH-001018"
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-"BL-41","Lymphoid","BL-41","BL-41","","","","","BL-41","","BL-41","BL-41","BL-41","","BL41","","BL-41","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1087","BL41_103_2019","BL-41","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-000245"
-"BL-70","Lymphoid","BL-70","BL-70","","","","BL70","","","BL-70","BL-70","BL-70","","BL70","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1088","BL70_104_2019","","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-000402"
-"BLUE-1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1967","BLUE-11312021_","","","","",NA,"ACH-001450"
-"BM-1604","Prostate","","","BM1604","","","","","","","","","","","","","","","","","prostate","","","","","","","","","","","","","","","","","","","","BM-16041322021_","","prostate","Prostate carcinoma","",NA,""
-"BOKU","Cervix","BOKU","","","","","","BOKU","","","","","","","BOKU","","","","cervix","","","","","","Cervix","","","","","cervix","","Cervix","cervix","","","","","","","CVCL_1089","BOKU_105_2019","","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-001451"
-"BONNA-12","Lymphoid","BONNA-12","","","","","","BONNA-12","BONNA-12","","","BONNA-12","","","","BONNA-12","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1090","BONNA12_106_2019","BONNA-12","haematopoietic_and_lymphoid_tissue","Hairy cell leukemia","Cancer cell line",NA,"ACH-001452"
-"BPH-1","Prostate","BPH-1","","BPH1","","","","BPH-1","BPH-1","","","BPH-1","","","","BPH-1","","","prostate","","prostate","","","","Prostate","","urogenital_system","","","prostate","","","prostate","","","","","","","CVCL_1091","BPH1_107_2019","BPH-1","prostate","Benign prostatic hyperplasia","Transformed cell line",NA,"ACH-001453"
-"BT 112","CNS/Brain","","","","","","","","","","","","","BT112","","","","","","","","","","","","","","","","","","","","BT112","","","","","","CVCL_WW37","BT112_112_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 131","CNS/Brain","","","","","","","","","","","","","BT131","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW38","BT131_114_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 139","CNS/Brain","","","","","","","","","","","","","BT139","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW39","BT139_115_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 145","CNS/Brain","","","","","","","","","","","","","BT145","","","","","","","","","","","","","","","","","","","","BT145","","","","","","CVCL_IP10","BT145_116_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 147","CNS/Brain","","","","","","","","","","","","","BT147","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW40","BT147_117_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 159","CNS/Brain","","","","","","","","","","","","","BT159","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_IP11","BT159_118_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 164","CNS/Brain","","","","","","","","","","","","","BT164","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW41","BT164_120_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 172","CNS/Brain","","","","","","","","","","","","","BT172","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_IP12","BT172_121_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 187","CNS/Brain","","","","","","","","","","","","","BT187","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW46","BT187_123_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 189","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","BT189","","","","","","","BT 1891452021_","","","Glioblastoma","",NA,""
-"BT 216","CNS/Brain","","","","","","","","","","","","","BT216","","","","","","","","","","","","","","","","","","","","BT216","","","","","","CVCL_WW49","BT216_124_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 224","CNS/Brain","","","","","","","","","","","","","BT224","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW50","BT224_125_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 228","CNS/Brain","","","","","","","","","","","","","BT228","","","","","","","","","","","","","","","","","","","","BT228","","","","","","CVCL_WW51","BT228_126_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 231","CNS/Brain","","","","","","","","","","","","","BT231","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW52","BT231_127_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 232","CNS/Brain","","","","","","","","","","","","","BT232","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW53","BT232_128_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 239","CNS/Brain","","","","","","","","","","","","","BT239","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW54","BT239_129_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 245","CNS/Brain","","","","","","","","","","","","","BT245","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_IP13","BT245_130_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 248","CNS/Brain","","","","","","","","","","","","","BT248","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW55","BT248_131_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 271","CNS/Brain","","","","","","","","","","","","","BT271","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW56","BT271_132_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 286","CNS/Brain","","","","","","","","","","","","","BT286","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW57","BT286_133_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 320","CNS/Brain","","","","","","","","","","","","","BT320","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW58","BT320_134_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 328","CNS/Brain","","","","","","","","","","","","","BT328","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW59","BT328_135_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 330","CNS/Brain","","","","","","","","","","","","","BT330","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW60","BT330_136_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 333","CNS/Brain","","","","","","","","","","","","","BT333","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW61","BT333_137_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 340","CNS/Brain","","","","","","","","","","","","","BT340","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW62","BT340_138_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 359","CNS/Brain","","","","","","","","","","","","","BT359","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW63","BT359_139_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 416","CNS/Brain","","","","","","","","","","","","","BT416","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW64","BT416_140_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 422","CNS/Brain","","","","","","","","","","","","","BT422","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW65","BT422_141_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 428","CNS/Brain","","","","","","","","","","","","","BT428","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW66","BT428_142_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 440","CNS/Brain","","","","","","","","","","","","","BT440","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW67","BT440_143_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 444","CNS/Brain","","","","","","","","","","","","","BT444","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW68","BT444_144_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 482","CNS/Brain","","","","","","","","","","","","","BT482","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW69","BT482_145_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 498","CNS/Brain","","","","","","","","","","","","","BT498","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW71","BT498_146_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT 504","CNS/Brain","","","","","","","","","","","","","BT504","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW72","BT504_147_2019","","","Glioblastoma","Cancer cell line",NA,""
-"BT-12","CNS/Brain","","BT-12","","","","","","","","","","","BT12","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M155","BT12_113_2019","","","Atypical teratoid/rhabdoid tumor","Cancer cell line",NA,"ACH-000160"
-"BT-16","CNS/Brain","","","","","","","","","","","","","BT16","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M156","BT16_119_2019","","","Atypical teratoid/rhabdoid tumor","Cancer cell line",NA,"ACH-001020"
-"BT-20","Breast","BT-20","BT-20","BT20","BT20","BT-20","","BT-20","","BT-20","BT-20","BT-20","bt20","BT20","BT-20","BT-20","","","breast","breast","breast","breast","Breast","","Breast","breast","breast","BT-20","breast","breast","breast","Breast","breast","BT20","breast","","","","","CVCL_0178","BT20_108_2019","BT-20","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000536"
-"BT-474","Breast","BT-474","BT-474","BT474","BT474","BT-474","","BT-474","","BT-474","BT-474","BT-474","bt474","BT474","BT-474","BT-474","","BT474_BREAST","breast","breast","breast","breast","Breast","","Breast","breast","breast","4-bt474///BT-474","breast","breast","breast","Breast","breast","BT474","breast","BT474","breast","","breast","CVCL_0179","BT474_109_2019","BT-474","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000927"
-"BT-483","Breast","","BT-483","","BT483","BT-483","","BT-483","","BT-483","BT-483","BT-483","bt483","","BT-483","BT-483","","","","breast","","breast","Breast","","Breast","breast","","","breast","breast","","","breast","","","","","","","CVCL_2319","BT483_110_2019","BT-483","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000818"
-"BT-549","Breast","BT-549","BT-549","","BT549","BT-549","","BT-549","","BT-549","BT-549","BT-549","bt549","BT549","BT-549","BT-549","BT-549///BR.BT.549","BT549_BREAST","breast","breast","","breast","Breast","","Breast","breast","breast","BT549///BT-549","breast","breast","breast","Breast","breast","BT549","breast","BT549","breast","Breast Cancer///Breast","breast","CVCL_1092","BT549_111_2019","BT-549","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000288"
-"BT179","Other","","","","","","","","","","","","","BT179","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WW43","BT179_122_2019","","","","Cancer cell line",NA,""
-"BT181","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","BT181","","","","","","","BT1811772021_","","central_nervous_system","","",NA,""
-"BV-173","Myeloid","BV-173","BV-173","BV173","","","","BV-173","BV-173","BV-173","BV-173","BV-173","","BV173","","BV-173","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0181","BV173_148_2019","BV-173","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000432"
-"BeWo","Uterus","","","BEWO","","","","","","","","","","","","","","","","","placenta","","","","","","","","","","","","","","","","","","","","BeWo1792021_","","placenta","Gestational choriocarcinoma","",NA,""
-"Becker","CNS/Brain","Becker","Becker","","","","","Becker","Becker","","","Becker","","BECKER","","Becker","","BECKER_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","CNS","","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","Becker","central_nervous_system","","","","central_nervous_system","CVCL_1093","Becker_86_2019","Becker","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-001016"
-"BxPC-3","Pancreas","BxPC-3","BxPC-3","BXPC3","","BxPC-3","","BxPC-3","","BxPC-3","BxPC-3","BxPC-3","","BXPC3","BxPC-3","BxPC-3","","BXPC3_PANCREAS","pancreas","pancreas","pancreas","","Pancreas","","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","BXPC3","pancreas","","","","pancreas","CVCL_0186","BxPC3_149_2019","BxPC-3","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000535"
-"C-33 A","Cervix","C-33-A","","C33A","","C-33 A","","C-33-A","C-33-A","","","C-33-A","","","C-33 A","C-33-A","","","cervix","","cervix_uteri","","Cervix","","Cervix","","urogenital_system","","","cervix","","Cervix","cervix","","","","","","","CVCL_1094","C33A_150_2019","C-33-A","cervix","Cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-001333"
-"C-4-I","Cervix","","","C4I","","","","C-4-I","C-4-I","","","C-4-I","","","","C-4-I","","","","","cervix_uteri","","","","cervix","","","","","","","","cervix","","","","","","","CVCL_2253","C4I_151_2019","C-4-I","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-001334"
-"C-4-II","Cervix","C-4-II","","C4II","","","","","","","","","","","","","","","cervix","","cervix_uteri","","","","","","","","","cervix","","","","","","","","","","CVCL_1095","C-4-II1842021_","","cervix","Human papillomavirus-related cervical squamous cell carcinoma","",NA,"ACH-001335"
-"C10","Bowel","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5245","C101852021_","","","","",NA,"ACH-001454"
-"C125-PM","Bowel","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8175","C125-PM1862021_","","","","",NA,"ACH-001456"
-"C170","Bowel","","","","","C170","","","","","","","","","C170","","","","","","","","Colon","","","","","","","","","","","","","","","","","CVCL_S959","C170_152_2019","","large_intestine","Colorectal adenocarcinoma","Cancer cell line",NA,""
-"C2BBe1","Bowel","C2BBe1","C2BBe1","","","C2BBe1","C2BBE1","C2BBe1","C2BBe1","C2BBe1","C2BBe1","C2BBe1","","C2BBE1","C2BBe1","C2BBe1","","","large_intestine","large_intestine","","","Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","C2BBE1","large_intestine","","","","","CVCL_1096","C2BBe1_153_2019","C2BBe1","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000009"
-"C32 [Human melanoma]","Skin","C32","C32","C32TG","","C32","","C32","","C32","C32","C32","","C32","C32","C32","","","skin","skin","skin","","Skin","","Skin","skin","skin","","","skin","skin","Skin","skin","C32","skin","","","","","CVCL_1097","C32_154_2019","C32","skin","Amelanotic melanoma","Cancer cell line",NA,"ACH-000580"
-"C32TG","Skin","","","","","C32TG","","","","","","","","","C32TG","","","","","","","","Skin","","","","","","","","","","","","","","","","","CVCL_2324","C32TG_155_2019","","skin","Amelanotic melanoma","Cancer cell line",NA,""
-"C396","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","C3961912021_","","","","",NA,"ACH-001818"
-"C75","Bowel","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5248","C751922021_","","","","",NA,"ACH-001458"
-"C80","Bowel","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5249","C801932021_","","","","",NA,"ACH-001459"
-"C8166","Lymphoid","C8166","C8166","","","","","C8166","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1099","C8166_157_2019","","haematopoietic_and_lymphoid_tissue","","Transformed cell line",NA,"ACH-000206"
-"C84","Bowel","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5250","C841952021_","","","","",NA,"ACH-001460"
-"C99","Bowel","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8176","C991962021_","","","","",NA,"ACH-001461"
-"CA-HPV-10","Prostate","","","CAHPV10","","","","","","","","","","","","","","","","","prostate","","","","","","","","","","","","","","","","","","","","CA-HPV-101972021_","","prostate","","",NA,""
-"CA46","Lymphoid","CA46","CA46","CA46","","CA46","","CA46","","CA46","CA46","CA46","","CA46","CA46","CA46","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1101","CA46_159_2019","CA46","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-000440"
-"CADO-ES1","Bone","","CADO-ES1","","","","","CADO-ES1","","CADO-ES1","CADO-ES1","CADO-ES1","","CADOES1","","CADO-ES1","","CADOES1_BONE","","bone","","","","","bone","bone","","","","bone","bone","","bone","","","","","","bone","CVCL_1103","CADOES1_162_2019","CADO-ES1","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-000210"
-"CAL-120","Breast","CAL-120","CAL-120","","CAL120","CAL-120","","CAL-120","","CAL-120","CAL-120","CAL-120","cal120","CAL120","CAL-120","CAL-120","","CAL120_BREAST","breast","breast","","breast","Breast","","Breast","breast","breast","5-cal120///CAL-120","breast","breast","breast","Breast","breast","","","CAL120","breast","","breast","CVCL_1104","CAL120_165_2019","CAL-120","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000212"
-"CAL-12T","Lung","CAL-12T","CAL-12T","","","CAL-12T","CAL12T","CAL-12T","","CAL-12T","CAL-12T","CAL-12T","","CAL12T","CAL-12T","CAL-12T","","CAL12T_LUNG","lung","lung","","","Lung","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","CAL12T","lung","","","","lung","CVCL_1105","CAL12T_166_2019","CAL-12T","lung","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-000826"
-"CAL-148","Breast","CAL-148","CAL-148","","CAL148","CAL-148","","CAL-148","","CAL-148","CAL-148","CAL-148","cal148","CAL148","CAL-148","CAL-148","","","breast","breast","","breast","Breast","","breast","breast","breast","CAL148","breast","breast","breast","Breast","breast","CAL148","breast","CAL148","breast","","","CVCL_1106","CAL148_167_2019","CAL-148","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000902"
-"CAL-27","Head and Neck","CAL-27","CAL 27","CAL27","","CAL 27","","CAL-27","","CAL_27","CAL_27","CAL-27","","CAL27","CAL 27","CAL-27","","CAL27_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","head_and_neck","","Tongue","","Mouth","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","upper_aerodigestive_tract","Head and Neck","upper_aerodigestive_tract","","","","","","upper_aerodigestive","CVCL_1107","CAL27_168_2019","CAL-27","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000832"
-"CAL-29","Bladder/Urinary Tract","","CAL-29","","","","","CAL-29","","CAL-29","CAL-29","CAL-29","","CAL29","","CAL-29","","CAL29_URINARY_TRACT","","urinary_tract","","","","","Bladder","urinary_tract","","","","urinary_tract","urinary_tract","","urinary_tract","","","","","","urinary_tract","CVCL_1808","CAL29_169_2019","CAL-29","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000142"
-"CAL-33","Head and Neck","CAL-33","CAL-33","","","","","CAL-33","","CAL-33","CAL-33","CAL-33","","CAL33","","CAL-33","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","","","","H&N","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","upper_aerodigestive_tract","","","","","","","CVCL_1108","CAL33_170_2019","CAL-33","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000518"
-"CAL-39","Vulva/Vagina","CAL-39","","","","","","CAL-39","CAL-39","","","CAL-39","","","","CAL-39","","","vulva","","","","","","Cervix","","urogenital_system","","","vulva","","","vulva","","","","","","","CVCL_1109","CAL39_171_2019","CAL-39","vulva","Vulvar squamous cell carcinoma","Cancer cell line",NA,"ACH-002091"
-"CAL-51","Breast","CAL-51","CAL-51","","CAL51","CAL51","","CAL-51","","CAL-51","CAL-51","CAL-51","cal51","CAL51","CAL51","CAL-51","","CAL51_BREAST","breast","breast","","breast","Breast","","Breast","breast","","3-cal51///CAL-51","breast","breast","breast","Breast","breast","CAL51","breast","CAL51","breast","","breast","CVCL_1110","CAL51_172_2019","CAL-51","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000856"
-"CAL-54","Kidney","CAL-54","CAL-54","CAL54","","CAL 54","","CAL-54","","CAL-54","CAL-54","CAL-54","","CAL54","CAL 54","CAL-54","","CAL54_KIDNEY","kidney","kidney","kidney","","Kidney","","Kidney","kidney","kidney","","","kidney","kidney","Kidney","kidney","CAL54","kidney","","","","kidney","CVCL_1111","CAL54_173_2019","CAL-54","kidney","Renal cell carcinoma","Cancer cell line",TRUE,"ACH-000457"
-"CAL-62","Thyroid","CAL-62","CAL-62","CAL62","","","","CAL-62","","CAL-62","CAL-62","CAL-62","","CAL62","","CAL-62","","CAL62_THYROID","thyroid","thyroid","thyroid_gland","","","","thyroid","thyroid","thyroid","","","thyroid","thyroid","","thyroid","","","","","","thyroid","CVCL_1112","CAL62_174_2019","CAL-62","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",NA,"ACH-000174"
-"CAL-72","Bone","CAL-72","","","","","","CAL-72","CAL-72","","","CAL-72","","","","CAL-72","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1113","CAL72_175_2019","CAL-72","bone","Osteosarcoma","Cancer cell line",NA,"ACH-001715"
-"CAL-78","Bone","","CAL-78","","","","","CAL-78","CAL-78","CAL-78","CAL-78","CAL-78","","CAL78","","CAL-78","","CAL78_BONE","","bone","","","","","Bone","soft_tissue","","","","soft_tissue","bone","","soft_tissue","CAL78","bone","","","","bone","CVCL_1809","CAL78_176_2019","CAL-78","soft_tissue","Dedifferentiated chondrosarcoma","Cancer cell line",NA,"ACH-000516"
-"CAL-85-1","Breast","CAL-85-1","CAL-85-1","","CAL851","CAL-85-1","","CAL-85-1","","CAL-85-1","CAL-85-1","CAL-85-1","cal851","CAL851","CAL-85-1","CAL-85-1","","","breast","breast","","breast","Breast","","Breast","breast","breast","","breast","breast","breast","","breast","","","CAL851","breast","","","CVCL_1114","CAL851_177_2019","CAL-85-1","breast","Breast carcinoma","Cancer cell line",NA,"ACH-000857"
-"CAMA-1","Breast","CAMA-1","CAMA-1","","CAMA1","CAMA-1","","CAMA-1","","CAMA-1","CAMA-1","CAMA-1","cama1","CAMA1","CAMA-1","CAMA-1","","CAMA1_BREAST","breast","breast","","breast","Breast","","Breast","breast","breast","12-cama1///CAMA1///CAMA-1","breast","breast","breast","Breast","breast","CAMA1","breast","","","","breast","CVCL_1115","CAMA1_181_2019","CAMA-1","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000783"
-"CAS-1","CNS/Brain","CAS-1","CAS-1","","","","","CAS-1","","CAS-1","CAS-1","CAS-1","","CAS1","","CAS-1","","","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","","","","","","","CVCL_1117","CAS1_187_2019","CAS-1","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000464"
-"CC-LP-1","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0205","CC-LP-12152021_","","","","",NA,"ACH-001959"
-"CC-SW-1","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_A429","CC-SW-12162021_","","","","",NA,"ACH-001960"
-"CCD-19Lu","Lung","","","","","","","","","","","","","","","","CCD-19LU","","","","","","","","","","","","","","","","","","","","","Fibroblast","","CVCL_2382","CCD-19Lu2172021_","","","","Finite cell line",NA,""
-"CCF-STTG1","CNS/Brain","CCF-STTG1","CCF-STTG1","CCFSTTG1","","","","CCF-STTG1","","CCF-STTG1","CCF-STTG1","CCF-STTG1","","CCFSTTG1","CCF-STTG1","CCF-STTG1","","CCFSTTG1_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","central_nervous_system","","","","central_nervous_system","central_nervous_system","","","","central_nervous_system","central_nervous_system","Brain","central_nervous_system","CCFSTTG1","central_nervous_system","","","","central_nervous_system","CVCL_1118","CCFSTTG1_188_2019","CCF-STTG1","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000329"
-"CCK-81","Bowel","","CCK-81","","","","","CCK-81","CCK-81","CCK-81","CCK-81","CCK-81","","CCK81","","CCK-81","","","","large_intestine","","","","","Intestine","large_intestine","","","","large_intestine","large_intestine","","large_intestine","","","","","","","CVCL_2873","CCK81_189_2019","CCK-81","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000963"
-"CCLFPEDS0001T","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CCLFPEDS0001T2202021_","","","","",NA,"ACH-001163"
-"CCLFPEDS0003T","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CCLFPEDS0003T2212021_","","","","",NA,"ACH-001164"
-"CCLFPEDS0008T","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CCLFPEDS0008T2222021_","","","","",NA,"ACH-001433"
-"CCLFPEDS0018T","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CCLFPEDS0018T2232021_","","","","",NA,"ACH-001767"
-"CCLFUPGI0005T","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CCLFUPGI0005T2242021_","","","","",NA,"ACH-002446"
-"CCRF-CEM","Lymphoid","CCRF-CEM","","CCRFCEM","","","","CCRF-CEM","CCRF-CEM","","","CCRF-CEM","","","","CCRF-CEM","CCRF-CEM///LE.CCRF.CEM","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","CCRFCEM","blood","Leukemia","","CVCL_0207","CCRFCEM_190_2019","CCRF-CEM","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-001738"
-"CCRF-HSB-2","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1859","CCRF-HSB-22262021_","","","","",NA,"ACH-001737"
-"CCRF-SB","Lymphoid","","","","","CCRF-SB","","","","","","","","","CCRF-SB","","","","","","","","Blood","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_1860","CCRFSB_191_2019","","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,""
-"CEM/C1","Lymphoid","","","CEMC1","","","","","","","","","","","","","","","","","hematopoietic_and_lymphatic_system","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","CEM/C12282021_","","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","",NA,""
-"CESS","Myeloid","CESS","","CESS","","","","CESS","CESS","","","CESS","","","","CESS","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0209","CESS_192_2019","CESS","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Transformed cell line",NA,"ACH-002218"
-"CFPAC-1","Pancreas","CFPAC-1","CFPAC-1","","","CFPAC-1","CFPAC1","CFPAC-1","","CFPAC-1","CFPAC-1","CFPAC-1","","CFPAC1","CFPAC-1","CFPAC-1","","CFPAC1_PANCREAS","pancreas","pancreas","","","Pancreas","PANCREAS","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","CFPAC1","pancreas","","","","pancreas","CVCL_1119","CFPAC1_193_2019","CFPAC-1","pancreas","Cystic fibrosis","Cancer cell line",TRUE,"ACH-000138"
-"CGTH-W-1","Thyroid","CGTH-W-1","CGTH-W-1","CGTHW1","","","","CGTH-W-1","CGTH-W-1","","","CGTH-W-1","","CGTHW1","CGTH-W-1","CGTH-W-1","","","thyroid","thyroid","thyroid_gland","","","","Thyroid","","thyroid","","","thyroid","thyroid","Thyroid","thyroid","CGTHW1","thyroid","","","","","CVCL_1120","CGTHW1_194_2019","CGTH-W-1","thyroid","Thyroid gland squamous cell carcinoma","Cancer cell line",NA,"ACH-001023"
-"CH-157MN","CNS/Brain","","CH-157MN","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","","","","","","","","","","CVCL_5723","CH157MN_195_2019","","central_nervous_system","Meningioma","Cancer cell line",NA,"ACH-000025"
-"CHA59","Bone","","","","","","","","","","","","","","","","CHA-59","","","","","","","","","","","","","","","","","","","","","Bone/Muscle","","CVCL_GZ61","CHA592332021_","","","Osteosarcoma","Cancer cell line",NA,""
-"CHL-1","Skin","CHL-1","CHL-1","CHL1","","CHL-1","","CHL-1","CHL-1","","","CHL-1","","","CHL-1","CHL-1","","CHL1_SKIN","skin","skin","skin","","Skin","","Skin","","skin","","","skin","","Lung","skin","","","","","","skin","CVCL_1122","CHL1_197_2019","CHL-1","skin","Melanoma","Cancer cell line",TRUE,"ACH-001024"
-"CHLA-06-ATRT","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_AQ42","CHLA-06-ATRT2352021_","","","","",NA,"ACH-001028"
-"CHLA-10","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6583","CHLA-102362021_","","","","",NA,"ACH-001029"
-"CHLA-15","Peripheral Nervous System","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6594","CHLA-152372021_","","","","",NA,"ACH-001300"
-"CHLA-218","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0B48","CHLA-2182382021_","","","","",NA,"ACH-001030"
-"CHLA-258","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_A058","CHLA-2582392021_","","","","",NA,"ACH-001282"
-"CHLA-266","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M149","CHLA-2662402021_","","","","",NA,"ACH-001031"
-"CHLA-32","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M151","CHLA-322412021_","","","","",NA,"ACH-001032"
-"CHLA-57","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0B49","CHLA-572422021_","","","","",NA,"ACH-001033"
-"CHLA-9","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M150","CHLA-92432021_","","","","",NA,"ACH-001034"
-"CHLA-99","Bone","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0B50","CHLA-992442021_","","","","",NA,"ACH-001035"
-"CHO","Ovary/Fallopian Tube","","","","","","","","","","","","","","","","CHO","","","","","","","","","","","","","","","","","","","","","Miscellaneous Tumors","","CVCL_0213","CHO2452021_","","","","Spontaneously immortalized cell line",NA,""
-"CHO/159-1","","","","","","","","","","","","","","","","","CHO/159-1","","","","","","","","","","","","","","","","","","","","","Miscellaneous Tumors","","","CHO/159-12462021_","","","","",NA,""
-"CHP-126","Peripheral Nervous System","CHP-126","CHP-126","","","","","CHP-126","","CHP-126","CHP-126","CHP-126","","CHP126","","CHP-126","","","autonomic_ganglia","autonomic_ganglia","","","","","Brain","autonomic_ganglia","nervous_system","","","autonomic_ganglia","autonomic_ganglia","","autonomic_ganglia","","","","","","","CVCL_1123","CHP126_198_2019","CHP-126","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-000136"
-"CHP-134","Peripheral Nervous System","CHP-134","","","","","","CHP-134","CHP-134","","","CHP-134","","","","CHP-134","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1124","CHP134_199_2019","CHP-134","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-001338"
-"CHP-212","Peripheral Nervous System","CHP-212","CHP-212","CHP212","","CHP-212","","CHP-212","","CHP-212","CHP-212","CHP-212","","CHP212","CHP-212","CHP-212","","","autonomic_ganglia","autonomic_ganglia","brain","","Brain","","Brain","autonomic_ganglia","nervous_system","","","autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","CHP212","autonomic_ganglia","","","","","CVCL_1125","CHP212_200_2019","CHP-212","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-000120"
-"CHSA0011","Bone","","","","","","","CHSA0011","CHSA0011","","","CHSA0011","","","","CHSA0011","","","","","","","","","Bone","","","","","","","","bone","","","","","","","CVCL_X483","CHSA0011_201_2019","CHSA0011","bone","Chondrosarcoma","Cancer cell line",NA,"ACH-002092"
-"CHSA0108","Bone","","","","","","","CHSA0108","CHSA0108","","","CHSA0108","","","","CHSA0108","","","","","","","","","bone","","","","","","","","bone","","","","","","","CVCL_X484","CHSA0108_202_2019","CHSA0108","bone","Chondrosarcoma","Cancer cell line",NA,"ACH-002093"
-"CHSA8926","Bone","","","","","","","CHSA8926","CHSA8926","","","CHSA8926","","","","CHSA8926","","","","","","","","","0","","","","","","","","other","","","","","","","CVCL_X485","CHSA8926_203_2019","CHSA8926","other","Chondrosarcoma","Cancer cell line",NA,"ACH-002094"
-"CI","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_Y548","CI2532021_","","","","",NA,"ACH-001484"
-"CII","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0D73","CII2542021_","","","","",NA,"ACH-001485"
-"CJM [Human melanoma]","Skin","","CJM","","","","","","","CJM","CJM","","","CJM","","","","CJM_SKIN","","skin","","","","","","skin","","","","skin","skin","","","CJM","skin","","","","skin","CVCL_U797","CJM_205_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000458"
-"CL-11","Bowel","","CL-11","","","CL-11","","CL-11","","CL-11","CL-11","CL-11","","CL11","CL-11","CL-11","","","","large_intestine","","","Colon","","Intestine","large_intestine","","","","","large_intestine","","large_intestine","CL11","large_intestine","","","","","CVCL_1978","CL11_206_2019","CL-11","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000249"
-"CL-14","Bowel","","CL-14","","","","","","","CL-14","CL-14","","","","","","","","","large_intestine","","","","","","large_intestine","","","","","","","","","","","","","","CVCL_1979","CL14_207_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000342"
-"CL-34","Bowel","","CL-34","","","CL-34","CL34","CL-34","","CL-34","CL-34","CL-34","","CL34","CL-34","CL-34","","CL34_LARGE_INTESTINE","","large_intestine","","","Colon","LARGE_INTESTINE","large_intestine","large_intestine","","","","","large_intestine","","large_intestine","CL34","large_intestine","","","","colorectal","CVCL_1980","CL34_208_2019","CL-34","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000895"
-"CL-40","Bowel","","CL-40","","","CL-40","CL40","CL-40","CL-40","CL-40","CL-40","CL-40","","","CL-40","CL-40","","","","large_intestine","","","Colon","LARGE_INTESTINE","Intestine","large_intestine","","","","","","","large_intestine","","","","","","","CVCL_1982","CL40_209_2019","CL-40","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000798"
-"CME-1","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_N586","CME-12602021_","","","","",NA,"ACH-001322"
-"CMK","Myeloid","CMK","CMK","","","","","CMK","","CMK","CMK","CMK","","CMK","","CMK","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0216","CMK_210_2019","CMK","haematopoietic_and_lymphoid_tissue","Down syndrome","Cancer cell line",NA,"ACH-000641"
-"CMK-11-5","Myeloid","","CMK-11-5","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","","","","","","","CVCL_0217","CMK115_211_2019","","haematopoietic_and_lymphoid_tissue","Down syndrome","Cancer cell line",NA,"ACH-001036"
-"CMK-86","Myeloid","","CMK-86","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_2804","CMK86_212_2019","","haematopoietic_and_lymphoid_tissue","Down syndrome","Cancer cell line",NA,"ACH-001037"
-"CML-T1","Myeloid","CML-T1","CML-T1","CMLT1","","","","CML-T1","CML-T1","CML-T1","CML-T1","CML-T1","","CMLT1","","CML-T1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1126","CMLT1_213_2019","CML-T1","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000920"
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-"CRO-AP5","Lymphoid","CRO-AP5","","CROAP5","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","CRO-AP53302021_","","haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","",NA,""
-"CS-1 [Human chondrosarcoma]","Bone","","","","","","","CS1","CS1","","","CS1","","","","CS1","","","","","","","","","Bone","","","","","","","","bone","","","","","","","CVCL_T023","CS1_266_2019","CS1","bone","Chondrosarcoma","Cancer cell line",NA,"ACH-002099"
-"CTB-1","Lymphoid","CTB-1","","","","","","CTB-1","CTB-1","","","CTB-1","","","","CTB-1","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1149","CTB1_267_2019","CTB-1","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",TRUE,"ACH-002221"
-"CTV-1","Lymphoid","CTV-1","","","","","","CTV-1","CTV-1","","","CTV-1","","","","CTV-1","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1150","CTV1_268_2019","CTV-1","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002222"
-"CW-2","Bowel","CW-2","CW-2","","","CW-2","CW2","CW-2","","CW-2","CW-2","CW-2","","CW2","CW-2","CW-2","","","large_intestine","large_intestine","","","Colon","LARGE_INTESTINE","large_intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","CW2","large_intestine","","","","","CVCL_1151","CW2_269_2019","CW-2","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000998"
-"CW9019","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_N820","CW90193352021_","","","","",NA,"ACH-001050"
-"CX-1","Bowel","","","","","CX-1","","","","","","","","","CX-1","","","","","","","","Colon","","","","","","","large_intestine","","","","","","","","","","CVCL_2011","CX1_270_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,""
-"CXF 264L","","","","","","","","","","","","","","","","","CXF 264L","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","CXF 264L3372021_","","","","",NA,""
-"Ca Ski","Cervix","Ca-Ski","","","","Ca Ski","","Ca-Ski","Ca-Ski","","","Ca-Ski","","","Ca Ski","Ca-Ski","","","cervix","","","","Cervix","","Cervix","","urogenital_system","","","cervix","","Cervix","cervix","","","","","","","CVCL_1100","CaSki_158_2019","Ca-Ski","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001336"
-"Ca9-22","Head and Neck","Ca9-22","","","","","","Ca9-22","Ca9-22","","","Ca9-22","","","Ca9-22","Ca9-22","","","upper_aerodigestive_tract","","","","","","Head & Neck","","aero_digestive_tract","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_1102","Ca922_160_2019","Ca9-22","upper_aerodigestive_tract","Gingival squamous cell carcinoma","Cancer cell line",NA,"ACH-002043"
-"CaR-1","Bowel","CaR-1","","","","CaR-1","","CaR-1","CaR-1","","","CaR-1","","","CaR-1","CaR-1","","","large_intestine","","","","Colon","","Intestine","","digestive_system","","","large_intestine","","Colon","large_intestine","","","","","","","CVCL_1116","CaR1_186_2019","CaR-1","large_intestine","Rectal adenocarcinoma","Cancer cell line",TRUE,"ACH-002345"
-"Caco-2","Bowel","","CACO2///CACO2;CACO2;CaCo-2","","","Caco-2","","","","","","","","","Caco-2","","CACO-2","","","","","","Colon","","","","","","","large_intestine","","","","","","","","Colon Cancer","","CVCL_0025","Caco2_161_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000003"
-"Caki-1","Kidney","CAKI-1","Caki-1","CAKI1","","Caki-1","","CAKI-1","","Caki-1","Caki-1","CAKI-1","","CAKI1","Caki-1","CAKI-1","CAKI-1///RE.CAKI.1","CAKI1_KIDNEY","kidney","kidney","kidney","","Kidney","","Kidney","kidney","kidney","","","kidney","kidney","Kidney","kidney","CAKI1","kidney","","","Renal Cancer///Renal","kidney","CVCL_0234","CAKI1_163_2019","CAKI-1","kidney","Clear cell renal cell carcinoma","Cancer cell line",TRUE,"ACH-000433"
-"Caki-2","Kidney","","Caki-2","CAKI2","","Caki-2","","","","Caki-2","Caki-2","","","CAKI2","Caki-2","","","","","kidney","kidney","","Kidney","","","kidney","","","","kidney","kidney","Kidney","","CAKI2","kidney","","","","","CVCL_0235","Caki2_164_2019","","kidney","Papillary renal cell carcinoma","Cancer cell line",NA,"ACH-000234"
-"Calu-1","Lung","Calu-1","Calu-1","CALU1","","Calu-1","","","","Calu-1","Calu-1","","","CALU1","Calu-1","","CALU-1","","lung","lung","lung","","Lung","","","lung","","","","lung","lung","","lung","CALU1","lung","","","Non-Small Cell Lung Cancer","","CVCL_0608","Calu1_178_2019","","lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000511"
-"Calu-3","Lung","Calu-3","Calu-3","CALU3","","Calu-3","CALU3","Calu-3","","Calu-3","Calu-3","Calu-3","","CALU3","Calu-3","Calu-3","","","lung","lung","lung","","Lung","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","CALU3","lung","","","","","CVCL_0609","Calu3_179_2019","Calu-3","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000392"
-"Calu-6","Lung","Calu-6","Calu-6","CALU6","","Calu-6","CALU6","Calu-6","","Calu-6","Calu-6","Calu-6","","CALU6","Calu-6","Calu-6","","CALU6_LUNG","lung","lung","lung","","Lung","LUNG","Lung","lung","lung","","","lung","lung","","lung","","","","","","lung","CVCL_0236","Calu6_180_2019","Calu-6","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000264"
-"Caov-3","Ovary/Fallopian Tube","Caov-3","Caov-3","CAOV3","","Caov-3","CAOV3","","","Caov-3","Caov-3","Caov-3","","CAOV3","Caov-3","Caov-3","","CAOV3_OVARY","ovary","ovary","ovary","","Ovary","OVARY","","ovary","urogenital_system","","","ovary","ovary","","ovary","CAOV3","ovary","","","","ovary","CVCL_0201","Caov3_182_2019","Caov-3","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000713"
-"Caov-4","Ovary/Fallopian Tube","Caov-4","Caov-4","","","","","Caov-4","","Caov-4","Caov-4","Caov-4","","","","Caov-4","","","ovary","ovary","","","","","ovary","ovary","urogenital_system","","","ovary","","","ovary","","","","","","","CVCL_0202","Caov4_183_2019","Caov-4","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000103"
-"Capan-1","Pancreas","CAPAN-1","Capan-1","CAPAN1","","Capan-1","","CAPAN-1","","Capan-1","Capan-1","CAPAN-1","","CAPAN1","Capan-1","CAPAN-1","","","pancreas","pancreas","pancreas","","Pancreas","","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","CAPAN1","pancreas","","","","","CVCL_0237","CAPAN1_184_2019","CAPAN-1","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-000354"
-"Capan-2","Pancreas","Capan-2","Capan-2","CAPAN2","","Capan-2","CAPAN2","Capan-2","","Capan-2","Capan-2","Capan-2///CAPAN-2","","CAPAN2","Capan-2","Capan-2","","CAPAN2_PANCREAS","pancreas","pancreas","pancreas","","Pancreas","PANCREAS","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","CAPAN2","pancreas","","","","pancreas","CVCL_0026","Capan2_185_2019","Capan-2","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000107"
-"ChaGo-K-1","Lung","ChaGo-K-1","ChaGo-K-1","CHAGOK1","","ChaGo-K-1","CHAGOK1","ChaGo-K-1","","ChaGo-K-1","ChaGo-K-1","ChaGo-K-1","","CHAGOK1","ChaGo-K-1","ChaGo-K-1","","","lung","lung","lung","","Lung","LUNG","Lung:NSCLC","lung","","","","lung","lung","Lung","lung","CHAGOK1","lung","","","","","CVCL_1121","ChaGoK1_196_2019","ChaGo-K-1","lung","Bronchogenic carcinoma","Cancer cell line",TRUE,"ACH-000867"
-"Ci-1","Lymphoid","","CI-1","","","CI-1","","","","CI-1","CI-1","","","CI1","CI-1","","","","","haematopoietic_and_lymphoid_tissue","","","Lymph Node","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","","","","","","","","CVCL_1861","CI1_204_2019","","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-000687"
-"D-245MG","CNS/Brain","D-245MG","","","","","","","","","","D-245MG","","","","D-245MG","","","central_nervous_system","","","","","","","","","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1152","D-245MG3532021_","D-245MG","central_nervous_system","Glioblastoma","",NA,"ACH-002223"
-"D-247MG","CNS/Brain","D-247MG","","","","","","D-247MG","D-247MG","","","D-247MG","","","","D-247MG","","","central_nervous_system","","","","","","CNS","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1153","D247MG_271_2019","D-247MG","central_nervous_system","Gliosarcoma","Cancer cell line",NA,"ACH-002224"
-"D-263MG","CNS/Brain","D-263MG","","","","","","D-263MG","D-263MG","","","D-263MG","","","","D-263MG","","","central_nervous_system","","","","","","CNS","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1154","D263MG_272_2019","D-263MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002225"
-"D-336MG","CNS/Brain","D-336MG","","","","","","D-336MG","D-336MG","","","D-336MG","","","","D-336MG","","","central_nervous_system","","","","","","CNS","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1156","D336MG_274_2019","D-336MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002226"
-"D-392MG","CNS/Brain","D-392MG","","","","","","D-392MG","D-392MG","","","D-392MG","","","","D-392MG","","","central_nervous_system","","","","","","CNS","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1158","D392MG_275_2019","D-392MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002227"
-"D-397MG","CNS/Brain","D-397MG","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","central_nervous_system","","","","","","","","","","","D-397MG3582021_","","central_nervous_system","Glioblastoma","",NA,""
-"D-423MG","CNS/Brain","D-423MG","","","","","","D-423MG","D-423MG","","","D-423MG","","","","D-423MG","","","central_nervous_system","","","","","","central_nervous_system","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1160","D423MG_276_2019","D-423MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002228"
-"D-502MG","CNS/Brain","D-502MG","","","","","","D-502MG","D-502MG","","","D-502MG","","","","D-502MG","","","central_nervous_system","","","","","","CNS","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1162","D502MG_277_2019","D-502MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002229"
-"D-538MG","CNS/Brain","D-538MG","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","central_nervous_system","","","","","","","","","","","D-538MG3612021_","","central_nervous_system","Glioblastoma","",NA,""
-"D-542MG","CNS/Brain","D-542MG","","","","","","D-542MG","D-542MG","","","D-542MG","","","","D-542MG","","","central_nervous_system","","","","","","CNS","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1164","D542MG_278_2019","D-542MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002230"
-"D-566MG","CNS/Brain","D-566MG","","","","","","D-566MG","D-566MG","","","D-566MG","","","","D-566MG","","","central_nervous_system","","","","","","central_nervous_system","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1166","D566MG_279_2019","D-566MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002231"
-"D283 Med","CNS/Brain","D-283MED","D283 Med","D283MED","","","","D-283MED","","D283_Med","D283_Med","D-283MED","","D283MED","","D-283MED","","","central_nervous_system","central_nervous_system","central_nervous_system","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","D283MED","central_nervous_system","","","","","CVCL_1155","D283MED_273_2019","D-283MED","central_nervous_system","Medulloblastoma","Cancer cell line",NA,"ACH-000055"
-"D341 Med","CNS/Brain","","D341 Med","D341MED","","","","","","D341_Med","D341_Med","","","","","","","","","central_nervous_system","brain","","","","","central_nervous_system","","","","","","","","","","","","","","CVCL_0018","D341Med_280_2019","","central_nervous_system","Medulloblastoma","Cancer cell line",NA,"ACH-000095"
-"D384 Med","CNS/Brain","D-384MED","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","central_nervous_system","","","","","","","","","","CVCL_1157","D384 Med3662021_","","central_nervous_system","Medulloblastoma","",NA,"ACH-001052"
-"D425 Med","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1275","D425 Med3672021_","","","","",NA,"ACH-001053"
-"D458 Med","CNS/Brain","D-458MED","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","central_nervous_system","","","","","","","","","","CVCL_1161","D458 Med3682021_","","central_nervous_system","Medulloblastoma","",NA,"ACH-001054"
-"D556 Med","CNS/Brain","D-556MED","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","central_nervous_system","","","","","","","","","","CVCL_1165","D556 Med3692021_","","central_nervous_system","Medulloblastoma","",NA,"ACH-001055"
-"DAN-G","Pancreas","","DAN-G","","","DAN-G","","DAN-G","","DAN-G","DAN-G","DAN-G","","DANG","DAN-G","DAN-G","","DANG_PANCREAS","","pancreas","","","Pancreas","","Pancreas","pancreas","","","","pancreas","pancreas","","pancreas","DANG","pancreas","","","","pancreas","CVCL_0243","DANG_281_2019","DAN-G","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000243"
-"DB","Lymphoid","DB","DB","DB","","DB","","DB","","DB","DB","DB","","DB","DB","DB","DB","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Lymph Node","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","Lymphoma","","CVCL_1168","DB_284_2019","DB","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000334"
-"DBTRG-05MG","CNS/Brain","DBTRG-05MG","DBTRG-05MG","DBTRG05MG","","","","DBTRG-05MG","","DBTRG-05MG","DBTRG-05MG","DBTRG-05MG","","DBTRG05MG","","DBTRG-05MG","","DBTRG05MG_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","central_nervous_system","","","","central_nervous_system","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","DBTRG05MG","central_nervous_system","","","","central_nervous_system","CVCL_1169","DBTRG05MG_285_2019","DBTRG-05MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000863"
-"DEL","Lymphoid","DEL","DEL","","","","","DEL","","DEL","DEL","DEL","","DEL","DEL","DEL","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1170","DEL_286_2019","DEL","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000233"
-"DEOC-1","Skin","","","","","DEOC-1","","","","","","","","","DEOC-1","","","","","","","","Skin","","","","","","","skin","","","","","","","","","","CVCL_4161","DEOC1_287_2019","","skin","Melanoma","Cancer cell line",NA,""
-"DERL-2","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2016","DERL-23752021_","","","","",NA,"ACH-001057"
-"DFCI024","Lung","","DFCI024","","","","","","","","","","","","","","","","","lung","","","","","","","","","","lung","","","","","","","","","","CVCL_A762","DFCI024_289_2019","","lung","Lung adenocarcinoma","Cancer cell line",TRUE,""
-"DG-75","Lymphoid","DG-75","","DG75","","","","DG-75","DG-75","","","DG-75","","","","DG-75","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0244","DG75_290_2019","DG-75","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-002232"
-"DJM-1","Skin","DJM-1","","","","","","DJM-1","DJM-1","","","DJM-1","","","","DJM-1","","","skin","","","","","","Skin","","skin","","","skin","","","skin","","","","","","","CVCL_1172","DJM1_292_2019","DJM-1","skin","Skin squamous cell carcinoma","Cancer cell line",NA,"ACH-002100"
-"DK-MG","CNS/Brain","DK-MG","DK-MG","DKMG","","","","DK-MG","","DK-MG","DK-MG","DK-MG","","DKMG","","DK-MG","","DKMG_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","central_nervous_system","","","","Brain","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","DKMG","central_nervous_system","","","","central_nervous_system","CVCL_1173","DKMG_293_2019","DK-MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000244"
-"DL [Human lung rhabdoid tumor]","Other","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_U760","DL [Human lung rhabdoid tumor]3802021_","","","","",NA,"ACH-001059"
-"DL-40","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2889","DL-403812021_","","","","",NA,"ACH-001060"
-"DLD-1","Bowel","","DLD-1","DLD1","","DLD-1","DLD1","","","","","","","DLD1","DLD-1","","DLD-1","","","large_intestine","colon","","Colon","LARGE_INTESTINE","","","","","","large_intestine","large_intestine","","","DLD1","large_intestine","","","Colon Cancer","","CVCL_0248","DLD1_294_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-001061"
-"DM-3","Pleura","","DM-3","","","","","","","DM-3","DM-3","","","","","","","","","pleura","","","","","","pleura","","","","","","","","DM3","pleura","","","","","CVCL_2019","DM3_295_2019","","pleura","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,"ACH-000742"
-"DMS 114","Lung","DMS-114","DMS 114","DMS114","","","","DMS-114","","DMS_114","DMS_114","DMS-114","","DMS114","DMS 114","DMS-114","DMS 114","","lung","lung","lung","","","","Lung","lung","lung","","","lung","lung","","lung","DMS114","lung","","","Small Cell Lung Cancer","","CVCL_1174","DMS114_297_2019","DMS-114","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000530"
-"DMS 153","Lung","DMS-153","DMS 153","DMS153","","","","","","DMS_153","DMS_153","","","","","","","","lung","lung","lung","","","","","lung","","","","lung","","","lung","","","","","","","CVCL_1175","DMS153_298_2019","","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000594"
-"DMS 273","Lung","DMS-273","DMS 273","DMS273","","DMS 273","DMS273","DMS-273","","DMS_273","DMS_273","DMS-273","","DMS273","DMS 273","DMS-273","DMS 273","DMS273_LUNG","lung","lung","lung","","Lung","LUNG","lung","lung","lung","","","lung","lung","Lung","lung","","","","","Small Cell Lung Cancer","lung","CVCL_1176","DMS273_299_2019","DMS-273","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000749"
-"DMS 454","Lung","","DMS 454","","","DMS 454","","","","DMS_454","DMS_454","","","DMS454","DMS 454","","","","","lung","","","Lung","","","lung","","","","","lung","","","","","","","","","CVCL_2438","DMS454_296_2019","","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000844"
-"DMS 53","Lung","DMS-53","DMS 53","DMS53","","DMS 53","","DMS-53","","DMS_53","DMS_53","DMS-53","","DMS53","DMS-53","DMS-53","","","lung","lung","lung","","Lung","","Lung","lung","lung","","","lung","lung","","lung","DMS53","lung","","","","","CVCL_1177","DMS53_300_2019","DMS-53","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000698"
-"DMS 79","Lung","DMS-79","DMS 79","DMS79","","DMS 79","","DMS-79","","DMS_79","DMS_79","DMS-79","","DMS79","DMS-79","DMS-79","","","lung","lung","lung","","Lung","","Lung","lung","lung","","","lung","lung","","lung","","","","","","","CVCL_1178","DMS79_301_2019","DMS-79","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000703"
-"DND-41","Lymphoid","","DND-41","","","","","DND-41","DND-41","DND-41","DND-41","DND-41","","DND41","","DND-41","","","","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2022","DND41_302_2019","DND-41","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000981"
-"DOK","Head and Neck","DOK","","","","DOK","","DOK","DOK","","","DOK","","","DOK","DOK","","","upper_aerodigestive_tract","","","","Tongue","","Head & Neck","","aero_digestive_tract","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_1180","DOK_304_2019","DOK","upper_aerodigestive_tract","Oral dysplasia","Cancer cell line",NA,"ACH-002234"
-"DOV13","Ovary/Fallopian Tube","","DOV13","","","DOR 13","","DOV13","DOV13","","","DOV13","","DOV13","DOR 13","DOV13","","","","","","","Ovary","","ovary","","","","","","","","ovary","","","","","","","CVCL_6774","DOR13_305_2019","DOV13","ovary","Ovarian adenocarcinoma","Cancer cell line",NA,"ACH-001063"
-"DSH1","Bladder/Urinary Tract","DSH1","","","","","","DSH1","DSH1","","","DSH1","","","","DSH1","","","urinary_tract","","","","","","Bladder","","urogenital_system","","","urinary_tract","","","urinary_tract","","","","","","","CVCL_1182","DSH1_308_2019","DSH1","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-002235"
-"DU145","Prostate","DU-145","DU 145","DU145","","DU 145","","DU-145","DU-145","DU_145","DU_145","DU-145","du145","DU145","DU 145","DU-145","DU-145///PR.DU.145","DU145_PROSTATE","prostate","prostate","prostate","","Prostate","","Prostate","prostate","urogenital_system","","prostate","prostate","prostate","Prostate","prostate","DU145","prostate","","","Prostate Cancer///Prostate","prostate","CVCL_0105","DU145_309_2019","DU-145","prostate","Prostate carcinoma","Cancer cell line",TRUE,"ACH-000979"
-"DU4475","Breast","DU-4475","DU4475","DU4475","DU-4475///DU4475","DU4475","","DU-4475","","DU4475","DU4475","DU-4475","du4475","DU4475","DU4475","DU-4475","","","breast","breast","breast","breast","Breast","","Breast","breast","","","breast","breast","breast","","breast","","","DU4475","breast","","","CVCL_1183","DU4475_310_2019","DU-4475","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000258"
-"DV-90","Lung","DV-90","DV-90","","","DV-90","DV90","","","DV-90","DV-90","","","DV90","DV-90","","","","lung","lung","","","Lung","LUNG","","lung","","","","lung","lung","Lung","lung","","","","","","","CVCL_1184","DV90_311_2019","","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000925"
-"Daoy","CNS/Brain","Daoy","Daoy","","","","","Daoy","","Daoy","Daoy","Daoy","","DAOY","","Daoy","","DAOY_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","Brain","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","DAOY","central_nervous_system","","","","central_nervous_system","CVCL_1167","Daoy_282_2019","Daoy","central_nervous_system","Medulloblastoma","Cancer cell line",NA,"ACH-000211"
-"Daudi","Lymphoid","Daudi","Daudi","DAUDI","","Daudi","","Daudi","","Daudi","Daudi","Daudi","","DAUDI","Daudi","Daudi","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0008","Daudi_283_2019","Daudi","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-000786"
-"Detroit 562","Head and Neck","Detroit562","Detroit 562","DETROIT562","","Detroit 562","","Detroit562","","Detroit_562","Detroit_562","Detroit562","","DETROIT562","Detroit 562","Detroit562","","DETROIT562_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","pharynx","","Nasal Pharynx","","Head & Neck","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","upper_aerodigestive_tract","Head and Neck","upper_aerodigestive_tract","DETROIT562","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_1171","Detroit562_288_2019","Detroit562","upper_aerodigestive_tract","Pharyngeal squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000207"
-"DiFi","Bowel","","","","","","","DIFI","DIFI","","","DIFI///DiFi","","","","DIFI","","","","","","","","","Intestine","","","","","large_intestine","","","large_intestine","","","","","","","CVCL_6895","DIFI_291_2019","DIFI","large_intestine","Colorectal carcinoma","Cancer cell line",TRUE,"ACH-002233"
-"DoHH2","Lymphoid","DOHH-2","DOHH-2","DOHH2","","DOHH-2","","DOHH-2","","DOHH-2","DOHH-2","DOHH-2","","DOHH2","DOHH-2","DOHH-2","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Lymph Node","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1179","DOHH2_303_2019","DOHH-2","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000056"
-"DoTc2 4510","Cervix","DoTc2-4510","","DOTC24510","","","","DoTc2-4510","DoTc2-4510","","","DoTc2-4510","","","","DoTc2-4510","","","cervix","","cervix_uteri","","","","Cervix","","urogenital_system","","","cervix","","","cervix","","","","","","","CVCL_1181","DoTc24510_306_2019","DoTc2-4510","cervix","Cervical carcinoma","Cancer cell line",NA,"ACH-001341"
-"EB1","Lymphoid","","EB1","EB1","","EB1","","","","EB1","EB1","","","EB1","EB1","","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Lymph Node","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","","","","","","","","CVCL_2027","EB1_313_2019","","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-000877"
-"EB2","Lymphoid","EB2","EB2","EB2","","EB2","","EB2","EB2","","","EB2","","","EB2","EB2","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1186","EB2_314_2019","EB2","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-001064"
-"EB3 [Human Burkitt lymphoma]","Lymphoid","EB-3","","EB3","","EB-3","","EB-3","EB-3","","","EB-3","","","EB-3","EB-3","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","Blood","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1185","EB3_312_2019","EB-3","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-002236"
-"EBC-1","Lung","","EBC-1","","","EBC-1","EBC1","EBC-1","","EBC-1","EBC-1","EBC-1","","EBC1","EBC-1","EBC-1","","EBC1_LUNG","","lung","","","Lung","LUNG","Lung:NSCLC","lung","","","","lung","lung","","lung","EBC1","lung","","","","lung","CVCL_2891","EBC1_315_2019","EBC-1","lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000563"
-"EC-GI-10","Esophagus/Stomach","EC-GI-10","EC-GI-10","","","","","EC-GI-10","","EC-GI-10","EC-GI-10","EC-GI-10","","ECGI10","","EC-GI-10","","ECGI10_OESOPHAGUS","oesophagus","oesophagus","","","","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","","oesophagus","ECGI10","oesophagus","","","","esophagus","CVCL_1187","ECGI10_316_2019","EC-GI-10","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000305"
-"ECC10","Esophagus/Stomach","ECC10","ECC10","","","","","ECC10","","ECC10","ECC10","ECC10","","ECC10","","ECC10","","","stomach","stomach","","","","","Stomach","stomach","digestive_system","","","stomach","stomach","","stomach","","","","","","","CVCL_1188","ECC10_317_2019","ECC10","stomach","Gastric small cell neuroendocrine carcinoma","Cancer cell line",NA,"ACH-000560"
-"ECC12","Esophagus/Stomach","ECC12","ECC12","","","","","ECC12","","ECC12","ECC12","ECC12","","ECC12","","ECC12","","","stomach","stomach","","","","","Stomach","stomach","digestive_system","","","stomach","stomach","","stomach","ECC12","stomach","","","","","CVCL_1189","ECC12_318_2019","ECC12","stomach","Gastric small cell neuroendocrine carcinoma","Cancer cell line",NA,"ACH-000225"
-"ECC2","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ECC24102021_","","","","",NA,"ACH-001997"
-"ECC4","Bowel","ECC4","","","","","","ECC4","","","","","","","","","","","gastrointestinal_tract_(site_indeterminate)","","","","","","gastrointestinal_tract_(site_indeterminate)","","","","","gastrointestinal_tract_(site_indeterminate)","","","gastrointestinal_tract_(site_indeterminate)","","","","","","","CVCL_1190","ECC4_319_2019","","gastrointestinal_tract_(site_indeterminate)","Rectal adenocarcinoma","Cancer cell line",NA,"ACH-002024"
-"EFE-184","Uterus","EFE-184","EFE-184","","","","","","","EFE-184","EFE-184","","","EFE184","EFE-184","","","","endometrium","endometrium","","","","","","endometrium","","","","endometrium","endometrium","Uterus","endometrium","EFE184","endometrium","","","","","CVCL_1191","EFE184_320_2019","","endometrium","Endometrial carcinoma","Cancer cell line",TRUE,"ACH-000435"
-"EFM-19","Breast","EFM-19","EFM-19","EFM19","EFM19","EFM-19","","EFM-19","","EFM-19","EFM-19","EFM-19","efm19","","EFM-19","EFM-19","","","breast","breast","breast","breast","Breast","","Breast","breast","breast","EFM19","breast","breast","","Breast","breast","","","","","","","CVCL_0253","EFM19_321_2019","EFM-19","breast","Ductal breast carcinoma","Cancer cell line",TRUE,"ACH-000330"
-"EFM-192A","Breast","","EFM-192A","","EFM192A","EFM-192A","","EFM-192A","","EFM-192A","EFM-192A","EFM-192A","efm192a","EFM192A","EFM-192A","EFM-192A","","EFM192A_BREAST","","breast","","breast","Breast","","Breast","breast","","","breast","breast","breast","","breast","EFM192A","breast","","","","breast","CVCL_1812","EFM192A_322_2019","EFM-192A","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000117"
-"EFM-192B","Breast","","","","EFM192B","EFM-192B","","","","","","","","","EFM-192B","","","","","","","breast","Breast","","","","","","","","","","","","","","","","","CVCL_1813","EFM192B_323_2019","","breast","Breast carcinoma","Cancer cell line",TRUE,""
-"EFM-192C","Breast","","","","EFM192C","EFM-192C","","","","","","","","","EFM-192C","","","","","","","breast","Breast","","","","","","","","","","","","","","","","","CVCL_1814","EFM192C_324_2019","","breast","Breast carcinoma","Cancer cell line",TRUE,""
-"EFO-21","Ovary/Fallopian Tube","EFO-21","EFO-21","","","","EFO21","EFO-21","","EFO-21","EFO-21","EFO-21","","EFO21","","EFO-21","","EFO21_OVARY","ovary","ovary","","","","OVARY","Ovary","ovary","urogenital_system","","","ovary","ovary","","ovary","EFO21","ovary","","","","ovary","CVCL_0029","EFO21_325_2019","EFO-21","ovary","Ovarian cystadenocarcinoma","Cancer cell line",TRUE,"ACH-000308"
-"EFO-27","Ovary/Fallopian Tube","EFO-27","EFO-27","","","EFO-27","EFO27","EFO-27","","EFO-27","EFO-27","EFO-27","","EFO27","EFO-27","EFO-27","","EFO27_OVARY","ovary","ovary","","","Ovary","OVARY","Ovary","ovary","urogenital_system","","","ovary","ovary","Ovary","ovary","EFO27","ovary","","","","ovary","CVCL_1192","EFO27_326_2019","EFO-27","ovary","Ovarian mucinous adenocarcinoma","Cancer cell line",TRUE,"ACH-000936"
-"EGI-1","Biliary Tract","EGI-1","","","","","","EGI-1","EGI-1","","","EGI-1","","","","EGI-1","","","biliary_tract","","","","","","Liver","","digestive_system","","","biliary_tract","","","biliary_tract","","","","","","","CVCL_1193","EGI1_327_2019","EGI-1","biliary_tract","Cholangiocarcinoma","Cancer cell line",NA,"ACH-001494"
-"EHEB","Lymphoid","EHEB","EHEB","","","","","EHEB","","EHEB","EHEB","EHEB","","EHEB","","EHEB","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1194","EHEB_328_2019","EHEB","haematopoietic_and_lymphoid_tissue","","Transformed cell line",NA,"ACH-000038"
-"EJM","Lymphoid","","EJM","","","EJM","EJM","EJM","","EJM","EJM","EJM","","EJM","EJM","EJM","","","","haematopoietic_and_lymphoid_tissue","","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2030","EJM_329_2019","EJM","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000821"
-"EKVX","Lung","EKVX","EKVX","EKVX","","EKVX","","EKVX","","EKVX","EKVX","EKVX","","EKVX","EKVX","EKVX","EKVX///LC.EKVX","","lung","","lung","","Lung","","Lung","lung","lung","","","lung","","Lung","lung","EKVX","","","","Non-Small Cell Lung Cancer///Non-Small Cell Lung","","CVCL_1195","EKVX_330_2019","EKVX","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000706"
-"EM-2","Myeloid","EM-2","EM-2","EM2","","","","EM-2","EM-2","EM-2","EM-2","EM-2","","EM2","","EM-2","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1196","EM2_331_2019","EM-2","haematopoietic_and_lymphoid_tissue","Childhood chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000295"
-"EMC-BAC-1","Lung","","","","","","","EMC-BAC-1","EMC-BAC-1","","","EMC-BAC-1","","","","EMC-BAC-1","","","","","","","","","Esophagus","","","","","","","","esophagus","","","","","","","CVCL_X486","EMCBAC1_332_2019","EMC-BAC-1","oesophagus","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-002101"
-"EMC-BAC-2","Lung","","","","","","","EMC-BAC-2","EMC-BAC-2","","","EMC-BAC-2","","","","EMC-BAC-2","","","","","","","","","Esophagus","","","","","","","","esophagus","","","","","","","CVCL_X487","EMCBAC2_333_2019","EMC-BAC-2","oesophagus","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-002102"
-"EMTOKA","Uterus","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_E115","EMTOKA4262021_","","","","",NA,"ACH-001495"
-"EN","Uterus","","EN","","","","","EN","","EN","EN","EN","","EN","","EN","","EN_ENDOMETRIUM","","endometrium","","","","","Uterus","endometrium","","","","endometrium","endometrium","","endometrium","","","","","","uterus","CVCL_2034","EN_334_2019","EN","endometrium","Endometrial carcinoma","Cancer cell line",NA,"ACH-000978"
-"EPLC-272H","Lung","EPLC-272H","EPLC-272H","","","EPLC-272H","EPLC272H","EPLC-272H","","EPLC-272H","EPLC-272H","EPLC-272H","","EPLC272H","EPLC-272H","EPLC-272H","","","lung","lung","","","Lung","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","EPLC272H","lung","","","","","CVCL_1197","EPLC272H_336_2019","EPLC-272H","lung","Lung mucoepidermoid carcinoma","Cancer cell line",NA,"ACH-000585"
-"ES-2","Ovary/Fallopian Tube","","ES-2","ES2","","ES-2","","ES-2","","ES-2","ES-2","ES-2","","ES2","ES-2","ES-2","","ES2_OVARY","","ovary","ovary","","Ovary","","Ovary","ovary","","","","ovary","ovary","Ovary","ovary","ES2","ovary","ES2","ovary","","ovary","CVCL_3509","ES2_337_2019","ES-2","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",NA,"ACH-000906"
-"ES-2 CNCR","","","","","","","","","","","","","","","","","ES-2 CNCR","","","","","","","","","","","","","","","","","","","","","Ovarian Cancer","","","ES-2 CNCR4302021_","","","","",NA,""
-"ES1","Bone","ES1","","","","","","ES1","ES1","","","ES1","","","","ES1","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1198","ES1_338_2019","ES1","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002103"
-"ES3","Bone","ES3","","","","","","ES3","ES3","","","ES3","","","","ES3","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1199","ES3_339_2019","ES3","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002104"
-"ES4","Bone","ES4","","","","","","ES4","ES4","","","ES4","","","","ES4","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1200","ES4_340_2019","ES4","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002105"
-"ES5","Bone","ES5","","","","","","ES5","ES5","","","ES5","","","","ES5","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1201","ES5_341_2019","ES5","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002106"
-"ES6","Bone","ES6","","","","","","ES6","ES6","","","ES6","","","","ES6","","","bone","","","","","","bone","","bone","","","bone","","","bone","","","","","","","CVCL_1202","ES6_342_2019","ES6","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002107"
-"ES7","Bone","ES7","","","","","","ES7","ES7","","","ES7","","","","ES7","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1203","ES7_343_2019","ES7","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002108"
-"ES8","Bone","ES8","","","","","","ES8","ES8","","","ES8","","","","ES8","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1204","ES8_344_2019","ES8","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002109"
-"ESO-26","Esophagus/Stomach","","","","","","","ESO26","ESO26","","","ESO26","","","","ESO26","","","","","","","","","Esophagus","","","","","oesophagus","","","oesophagus","","","","","","","CVCL_2035","ESO26_345_2019","ESO26","oesophagus","Gastroesophageal junction adenocarcinoma","Cancer cell line",NA,"ACH-001496"
-"ESO-51","Esophagus/Stomach","","","","","","","ESO51","ESO51","","","ESO51","","","","ESO51","","","","","","","","","Esophag","","","","","oesophagus","","","oesophagus","","","","","","","CVCL_2036","ESO51_346_2019","ESO51","oesophagus","Esophageal adenocarcinoma","Cancer cell line",NA,"ACH-001497"
-"ESS-1","Uterus","ESS-1","ESS-1","","","","","ESS-1","","ESS-1","ESS-1","ESS-1","","ESS1","","ESS-1","","ESS1_ENDOMETRIUM","endometrium","endometrium","","","","","endometrium","endometrium","urogenital_system","","","endometrium","endometrium","","endometrium","ESS1","endometrium","","","","uterus","CVCL_1205","ESS1_347_2019","ESS-1","endometrium","Endometrioid stromal sarcoma","Cancer cell line",NA,"ACH-000913"
-"ETK-1","Biliary Tract","ETK-1","","","","","","ETK-1","ETK-1","","","ETK-1","","","","ETK-1","","","biliary_tract","","","","","","Biliary","","","","","biliary_tract","","","biliary_tract","","","","","","","CVCL_1206","ETK1_348_2019","ETK-1","biliary_tract","Intrahepatic cholangiocarcinoma","Cancer cell line",NA,"ACH-002237"
-"EW 7476","Bone","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_EQ72","EW7476_360_2019","","bone","Osteosarcoma","Cancer cell line",NA,""
-"EW-1","Bone","EW-1","","","","","","EW-1","EW-1","","","EW-1","","","","EW-1","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1208","EW1_350_2019","EW-1","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-002110"
-"EW-11","Bone","EW-11","","","","","","EW-11","EW-11","","","EW-11","","","","EW-11","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1209","EW11_351_2019","EW-11","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-002111"
-"EW-12","Bone","EW-12","","","","","","EW-12","EW-12","","","EW-12","","","","EW-12","","","bone","","","","","","bone","","bone","","","bone","","","bone","","","","","","","CVCL_1210","EW12_352_2019","EW-12","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002112"
-"EW-13","Bone","EW-13","","","","","","EW-13","EW-13","","","EW-13","","","","EW-13","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1211","EW13_353_2019","EW-13","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002113"
-"EW-16","Bone","EW-16","","","","","","EW-16","EW-16","","","EW-16","","","","EW-16","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1212","EW16_354_2019","EW-16","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002114"
-"EW-18","Bone","EW-18","","","","","","EW-18","EW-18","","","EW-18","","","","EW-18","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1213","EW18_355_2019","EW-18","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002115"
-"EW-22","Bone","EW-22","","","","","","EW-22","EW-22","","","EW-22","","","","EW-22","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1214","EW22_356_2019","EW-22","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002116"
-"EW-24","Bone","EW-24","","","","","","EW-24","EW-24","","","EW-24","","","","EW-24","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1215","EW24_357_2019","EW-24","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002117"
-"EW-3","Bone","EW-3","","","","","","EW-3","EW-3","","","EW-3","","","","EW-3","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1216","EW3_358_2019","EW-3","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-002118"
-"EW-7","Bone","EW-7","","","","","","EW-7","EW-7","","","EW-7","","","","EW-7","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1217","EW7_359_2019","EW-7","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-002119"
-"EW-8","Bone","","EW8","","","","","","","","","","","","","","","","","bone","","","","","","","","","","","","","","","","","","","","CVCL_V618","EW8_361_2019","","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000499"
-"EWS-502","Bone","","EWS502","","","","","","","","","","","","","","","EWS502_BONE","","bone","","","","","","","","","","","","","","","","","","","bone","CVCL_S740","EWS502_362_2019","","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000279"
-"EWS-834","Bone","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_AW95","EWS-8344552021_","","","","",NA,"ACH-001066"
-"EoL-1","Myeloid","EoL-1-cell","EOL-1","","","","","EoL-1-cell","EoL-1-cell","EOL-1","EOL-1","EoL-1-cell","","EOL1","","EoL-1-cell","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0258","EoL1cell_335_2019","EoL-1-cell","haematopoietic_and_lymphoid_tissue","Chronic eosinophilic leukemia, not otherwise specified","Cancer cell line",NA,"ACH-000198"
-"Evsa-T","Breast","EVSA-T","EVSA-T","","EVSAT","EVSA-T","","EVSA-T","EVSA-T","","","EVSA-T","evsat","","EVSA-T","EVSA-T","","","breast","breast","","breast","Breast","","Breast","","","16-evsat///EVSA-T","breast","breast","","Breast","breast","","","","","","","CVCL_1207","EVSAT_349_2019","EVSA-T","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001065"
-"F-36P","Myeloid","","F-36P","","","","","","","F-36P","F-36P","","","F36P","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2037","F36P_363_2019","","haematopoietic_and_lymphoid_tissue","Myelodysplastic syndrome","Cancer cell line",NA,"ACH-000487"
-"F5","CNS/Brain","","F5","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","","","","","","","","","","CVCL_V616","F5_364_2019","","central_nervous_system","Meningioma","Cancer cell line",NA,"ACH-001067"
-"FE-PD","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_H614","FE-PD4602021_","","","","",NA,"ACH-001068"
-"FLO-1","Esophagus/Stomach","","","","","","","FLO-1","FLO-1","","","FLO-1","","","","FLO-1","","","","","","","","","Esophagus","","","","","oesophagus","","","oesophagus","","","","","","","CVCL_2045","FLO1_367_2019","FLO-1","oesophagus","Esophageal adenocarcinoma","Cancer cell line",NA,"ACH-001500"
-"FTC-133","Thyroid","FTC-133","FTC-133","","","","","FTC-133","","FTC-133","FTC-133","FTC-133","","FTC133","FTC-133","FTC-133","","FTC133_THYROID","thyroid","thyroid","","","","","Thyroid","thyroid","thyroid","","","thyroid","thyroid","Thyroid","thyroid","FTC133","thyroid","","","","thyroid","CVCL_1219","FTC133_368_2019","FTC-133","thyroid","Thyroid gland follicular carcinoma","Cancer cell line",NA,"ACH-000903"
-"FTC-238","Thyroid","","FTC-238","","","","","","","FTC-238","FTC-238","","","FTC238","FTC-238","","","FTC238_THYROID","","thyroid","","","","","","thyroid","","","","","thyroid","","","FTC238","thyroid","","","","thyroid","CVCL_2447","FTC238_369_2019","","thyroid","Thyroid gland follicular carcinoma","Cancer cell line",TRUE,"ACH-000897"
-"FU-OV-1","Ovary/Fallopian Tube","","FU-OV-1","","","","","FU-OV-1","","FU-OV-1","FU-OV-1","FU-OV-1","","FUOV1","","FU-OV-1","","","","ovary","","","","","Ovary","ovary","","","","ovary","ovary","","ovary","FUOV1","ovary","","","","","CVCL_2047","FUOV1_370_2019","FU-OV-1","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000574"
-"FaDu","Head and Neck","FADU","FaDu","FADU","","FaDu","","FADU","","FaDu","FaDu","FADU","","FADU","FaDu","FADU","","FADU_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","pharynx","","Nasal Pharynx","","Head & Neck","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","upper_aerodigestive_tract","Head and Neck","upper_aerodigestive_tract","FADU","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_1218","FADU_365_2019","FADU","upper_aerodigestive_tract","Hypopharyngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000846"
-"Farage","Lymphoid","","","","","Farage","","Farage","Farage","","","Farage","","","Farage","Farage","","","","","","","Blood","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_3302","Farage_366_2019","Farage","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-001498"
-"Fu97","Esophagus/Stomach","","FU97","","","FU97","FU97","FU97","","FU97","FU97","FU97","","FU97","FU97","FU97","","","","stomach","","","Stomach","STOMACH","Stomach","stomach","","","","stomach","stomach","Stomach","stomach","","","","","","","CVCL_2908","FU97_371_2019","FU97","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000633"
-"Fuji","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_D880","Fuji4682021_","","","","",NA,"ACH-001272"
-"G-292 clone A141B1","Bone","","G-292, clone A141B1///G-292\, clone A141B1","","","","","G-292-Clone-A141B1","","G-292,_clone_A141B1","G-292,_clone_A141B1","G-292_Clone_A141B1","","G292CLONEA141B1","","G-292 Clone A141B1","","G292CLONEA141B1_BONE","","bone","","","","","Bone","bone","","","","","bone","","bone","G292CLONEA141B1","","","","","bone","CVCL_2909","G292,cloneA141B1_372_2019","G-292_Clone_A141B1","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000082"
-"G-361","Skin","G-361","G-361","","","G-361","G361","G-361","","G-361","G-361","G-361","","G361","G-361","G-361","","G361_SKIN","skin","skin","","","Skin","SKIN","Skin","skin","skin","","","skin","skin","Skin","skin","","","","","","skin","CVCL_1220","G361_373_2019","G-361","skin","Melanoma","Cancer cell line",NA,"ACH-000572"
-"G-401","Kidney","G-401","G-401","G401","","","G401","G-401","","G-401","G-401","G-401","","G401","G-401","G-401","","G401_SOFT_TISSUE","soft_tissue","soft_tissue","kidney","","","SOFT_TISSUE","Kidney","soft_tissue","kidney","","","soft_tissue","soft_tissue","Kidney","soft_tissue","G401","soft_tissue","","","","rhabdoid","CVCL_0270","G401_374_2019","G-401","soft_tissue","Rhabdoid tumor of the kidney","Cancer cell line",NA,"ACH-000096"
-"G-402","Soft Tissue","G-402","G-402","G402","","G-402","","G-402","","G-402","G-402","G-402","","G402","G-402","G-402","","G402_SOFT_TISSUE","soft_tissue","soft_tissue","kidney","","Kidney","","Kidney","soft_tissue","soft_tissue","","","soft_tissue","soft_tissue","Kidney","soft_tissue","G402","soft_tissue","","","","rhabdoid","CVCL_1221","G402_375_2019","G-402","soft_tissue","Epithelioid cell type gastrointestinal stromal tumor","Cancer cell line",NA,"ACH-000375"
-"G-415","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8198","G-4154732021_","","","","",NA,"ACH-001850"
-"G-mel","Skin","","","","","","","G-MEL","G-MEL","","","G-MEL","","","","G-MEL","","","","","","","","","Skin","","","","","","","","skin","","","","","","","CVCL_W798","GMEL_376_2019","G-MEL","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-002121"
-"GA-10","Lymphoid","","GA-10","GA10","","GA-10","","GA-10","","GA-10","GA-10","GA-10","","GA10","GA-10","GA-10","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1222","GA10_395_2019","GA-10","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-000162"
-"GA-10 clone 20","Lymphoid","GA-10-Clone-20","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","","","","","","","","","GA-10 clone 204762021_","","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","",NA,""
-"GA-10 clone 4","Lymphoid","GA-10-Clone-4","","","","","","GA-10-Clone-4","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1224","GA10Clone4_396_2019","","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,""
-"GAK","Vulva/Vagina","GAK","","","","","","GAK","GAK","","","GAK","","","","GAK","","","skin","","","","","","Skin","","skin","","","skin","","","skin","","","","","","","CVCL_1225","GAK_397_2019","GAK","skin","Vulvar melanoma","Cancer cell line",TRUE,"ACH-002120"
-"GB-1","CNS/Brain","GB-1","GB-1","","","","","GB-1","","GB-1","GB-1","GB-1","","GB1","GB-1","GB-1","","GB1_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","Brain","central_nervous_system","GB1","central_nervous_system","","","","central_nervous_system","CVCL_1227","GB1_399_2019","GB-1","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000738"
-"GB-2","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_S826","GB-24802021_","","","","",NA,"ACH-001961"
-"GBM001","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","GBM0014812021_","","","","",NA,"ACH-002349"
-"GCIY","Esophagus/Stomach","GCIY","GCIY","","","","","GCIY","GCIY","GCIY","GCIY","GCIY","","","","GCIY","","GCIY_STOMACH","stomach","stomach","","","","","Stomach","stomach","digestive_system","","","stomach","","","stomach","","","","","","gastric","CVCL_1228","GCIY_400_2019","GCIY","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000047"
-"GCT","Soft Tissue","GCT","GCT","GCT","","","","GCT","","GCT","GCT","GCT","","GCT","","GCT","","GCT_SOFT_TISSUE","soft_tissue","soft_tissue","lung","","","","Miscellaneous","soft_tissue","soft_tissue","","","soft_tissue","soft_tissue","","soft_tissue","GCT","soft_tissue","","","","soft_tissue","CVCL_1229","GCT_401_2019","GCT","soft_tissue","Undifferentiated pleomorphic sarcoma","Cancer cell line",TRUE,"ACH-000835"
-"GDM-1","Myeloid","GDM-1","GDM-1","GDM1","","","GDM1","GDM-1","","GDM-1","GDM-1","GDM-1","","GDM1","","GDM-1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","GDM1","blood","","","CVCL_1230","GDM1_402_2019","GDM-1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000081"
-"GEO","Bowel","","","","","","","","GEO","","","Geo","","","","","","","","","","","","","","","","","","large_intestine","","","large_intestine","","","","","","","CVCL_0271","Geo_403_2019","","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-002394"
-"GI-1","CNS/Brain","GI-1","GI-1","","","","","GI-1","","GI-1","GI-1","GI-1","","GI1","GI-1","GI-1","","GI1_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","","","","central_nervous_system","central_nervous_system","Brain","central_nervous_system","GI1","central_nervous_system","","","","central_nervous_system","CVCL_1231","GI1_404_2019","GI-1","central_nervous_system","Gliosarcoma","Cancer cell line",NA,"ACH-000756"
-"GI-ME-N","Peripheral Nervous System","GI-ME-N","","","","","","GI-ME-N","GI-ME-N","","","GI-ME-N","","","","GI-ME-N","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1232","GIMEN_405_2019","GI-ME-N","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-001344"
-"GIST-T1","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_4976","GIST-T14882021_","","","","",NA,"ACH-002332"
-"GLC-2","Lung","","","","","","","","","","","","","","","","NYH","","","","","","","","","","","","","","","","","","","","","Non-Small Cell Lung Cancer","","CVCL_8207","GLC-24892021_","","","Small cell lung cancer","Cancer cell line",TRUE,""
-"GLC-82","Cervix","","GLC-82","","","","","","","","","","","","","","","","","","","","","","","","","","","lung","","","","","","","","","","CVCL_3371","GLC82_406_2019","","lung","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,"ACH-001071"
-"GMS-10","CNS/Brain","GMS-10","GMS-10","","","","","GMS-10","","GMS-10","GMS-10","GMS-10","","GMS10","","GMS-10","","GMS10_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","Brain","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","GMS10","central_nervous_system","","","","central_nervous_system","CVCL_1233","GMS10_407_2019","GMS-10","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000102"
-"GOS-3","CNS/Brain","","GOS-3","","","","","","","GOS-3","GOS-3","","","GOS3","GOS-3","","","GOS3_CENTRAL_NERVOUS_SYSTEM","","central_nervous_system","","","","","","central_nervous_system","","","","","central_nervous_system","","","GOS3","central_nervous_system","","","","central_nervous_system","CVCL_2050","GOS3_408_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000027"
-"GOTO","Peripheral Nervous System","GOTO","","","","","","GOTO","GOTO","","","GOTO","","","","GOTO","","","autonomic_ganglia","","","","","","Kidney","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1234","GOTO_409_2019","GOTO","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-001716"
-"GOTO.P3","Peripheral Nervous System","GOTO-P3","","","","","","","","","","","","","","","","","autonomic_ganglia","","","","","","","","","","","autonomic_ganglia","","","","","","","","","","","GOTO.P34942021_","","autonomic_ganglia","Neuroblastoma","",NA,""
-"GP2d","Bowel","Gp2D","GP2d","","","GP2d","GP2D","","","GP2d","GP2d","","","GP2D","GP2d","","","GP2D_LARGE_INTESTINE","large_intestine","large_intestine","","","Colon","LARGE_INTESTINE","","large_intestine","","","","large_intestine","large_intestine","","","GP2D","large_intestine","","","","colorectal","CVCL_2450","Gp2D_410_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000982"
-"GP5d","Bowel","GP5d","","","","GP5d","","GP5d","GP5d","","","GP5d","","","GP5d","GP5d","","","large_intestine","","","","Colon","","Intestine","","","","","large_intestine","","Colon","large_intestine","","","","","","","CVCL_1235","GP5d_411_2019","GP5d","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-001345"
-"GR-M","Pancreas","","GR-M","","","GR-M","","","","","","","","","GR-M","","","","","skin","","","Skin","","","","","","","","","","","","","","","","","CVCL_2451","GRM_412_2019","","skin","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-001072"
-"GR-ST","Lymphoid","GR-ST","","","","","","GR-ST","GR-ST","","","GR-ST","","","","GR-ST","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1236","GRST_413_2019","GR-ST","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002238"
-"GSS","Esophagus/Stomach","","GSS","","","","","","","GSS","GSS","","","GSS","","","","","","stomach","","","","","","stomach","","","","","stomach","","","","","","","","","CVCL_8876","GSS_415_2019","","stomach","Gastric carcinoma","Cancer cell line",TRUE,"ACH-000746"
-"GSU","Esophagus/Stomach","","GSU","","","","","","","GSU","GSU","","","GSU","","","","","","stomach","","","","","","stomach","","","","","stomach","","","","","","","","","CVCL_8877","GSU_416_2019","","stomach","Gastric carcinoma","Cancer cell line",TRUE,"ACH-000485"
-"GT3TKB","Lung","GT3TKB","","","","","","GT3TKB","GT3TKB","","","GT3TKB","","","","GT3TKB","","","stomach","","","","","","Stomach","","digestive_system","","","stomach","","","stomach","","","","","","","CVCL_1237","GT3TKB_417_2019","GT3TKB","stomach","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-002122"
-"GTL-16","Esophagus/Stomach","","","","","GTL-16","","","","","","","","","GTL-16","","","","","","","","Stomach","","","","","","","stomach","","","","","","","","","","CVCL_7668","GTL16_418_2019","","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,""
-"GaMG","CNS/Brain","GAMG","GAMG","","","","GAMG","GAMG","","GAMG","GAMG","GAMG","","GAMG","","GAMG","","GAMG_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","CENTRAL_NERVOUS_SYSTEM","Brain","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","GAMG","central_nervous_system","","","","central_nervous_system","CVCL_1226","GAMG_398_2019","GAMG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000098"
-"Granta-519","Lymphoid","","GRANTA-519","","","GRANTA-519","","GRANTA-519","","GRANTA-519","GRANTA-519","GRANTA-519","","GRANTA519","GRANTA-519","GRANTA-519","","","","haematopoietic_and_lymphoid_tissue","","","Lymph Node","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1818","GRANTA519_414_2019","GRANTA-519","haematopoietic_and_lymphoid_tissue","Mantle cell lymphoma","Cancer cell line",NA,"ACH-000073"
-"H-EMC-SS","Bone","H-EMC-SS","","","","","","H-EMC-SS","H-EMC-SS","","","H-EMC-SS","","","","H-EMC-SS","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1238","HEMCSS_419_2019","H-EMC-SS","bone","Chondrosarcoma","Cancer cell line",NA,"ACH-001519"
-"H-STS","Bowel","","","","","","","","","","","","","HSTS","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_L296","HSTS_623_2019","","","Midgut carcinoid tumor","Cancer cell line",TRUE,""
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-"HCC1482","Cervix","","","","","HCC1482","","","","","","","","","HCC1482","","","","","","","","Uterus","","","","","","","","","","","","","","","","","CVCL_V591","HCC1482_476_2019","","uterus","Cervical adenocarcinoma","Cancer cell line",NA,""
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-"HCC1576","Adrenal Gland","","","","","HCC1576","","","","","","","","","HCC1576","","","","","","","","Adrenal","","","","","","","","","","","","","","","","","CVCL_V597","HCC1576_481_2019","","adrenal_gland","Adrenal cortex carcinoma","Cancer cell line",NA,""
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-"HCC1599","Breast","HCC1599","HCC1599","HCC1599","HCC1599","HCC1599","","HCC1599","","HCC1599","HCC1599","HCC1599","hcc1599","","HCC1599","HCC1599","","","breast","breast","breast","breast","Breast","","breast","breast","","HCC1569","breast","breast","","","breast","","","HCC1599","breast","","","CVCL_1256","HCC1599_482_2019","HCC1599","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000196"
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-"HCC2911","Breast","","","","","HCC2911","","","","","","","","","HCC2911","","","","","","","","Breast","","","","","","","","","","","","","","","","","CVCL_0V16","HCC2911_495_2019","","breast","Breast carcinoma","Cancer cell line",NA,""
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-"HCC3153","Breast","","","","HCC3153","","","","","","","","hcc3153","","","","","","","","","breast","","","","","","HCC3153","breast","breast","","","","","","","","","","CVCL_3377","HCC3153_498_2019","","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-002324"
-"HCC33","Lung","","HCC-33","","","HCC33","HCC33","","","HCC-33","HCC-33","HCC-33","","HCC33","HCC33","HCC-33","","","","lung","","","Lung","LUNG","","lung","","","","","lung","","lung","","","","","","","CVCL_2058","HCC33_457_2019","HCC-33","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000515"
-"HCC364","Lung","","HCC364","","","HCC364","","","","","","","","","HCC364","","","","","lung","","","Lung","","","","","","","lung","","","","","","","","","","CVCL_5134","HCC364_499_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000575"
-"HCC366","Lung","","HCC-366","","","HCC366","","HCC-366","","HCC-366","HCC-366","HCC-366","","HCC366","HCC366","HCC-366","","HCC366_LUNG","","lung","","","Lung","","Lung","lung","","","","","lung","","lung","HCC366","lung","","","","lung","CVCL_2059","HCC366_458_2019","HCC-366","lung","Adenosquamous lung carcinoma","Cancer cell line",NA,"ACH-000840"
-"HCC38","Breast","HCC38","HCC38","HCC38","HCC38","HCC38","","HCC38","","HCC38","HCC38","HCC38","hcc38","HCC38","HCC38","HCC38","","HCC38_BREAST","breast","breast","breast","breast","Breast","","breast","breast","","HCC38","breast","breast","breast","Breast","breast","HCC38","breast","","","","breast","CVCL_1267","HCC38_500_2019","HCC38","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000276"
-"HCC38 BL","Breast","","","","HCC38BL","","","","","","","","","","","","","","","","","breast","","","","","","","","","","","","","","","","","","CVCL_1268","HCC38BL_501_2019","","breast","","Transformed cell line",NA,"ACH-002377"
-"HCC4006","Lung","","HCC4006","","","HCC4006","HCC4006","","","HCC4006","HCC4006","","","HCC4006","HCC4006","","","HCC4006_LUNG","","lung","","","Lung","LUNG","","lung","","","","lung","lung","Lung","","HCC4006","lung","","","","lung","CVCL_1269","HCC4006_502_2019","","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000066"
-"HCC4011","Lung","","","","","HCC4011","","","","","","","","","HCC4011","","","","","","","","Lung","","","","","","","","","","","","","","","","","CVCL_S700","HCC4011_503_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,""
-"HCC4017","Lung","","","","","HCC4017","","","","","","","","","HCC4017","","","","","","","","Lung","","","","","","","","","","","","","","","","","CVCL_V579","HCC4017_504_2019","","lung","Large cell lung carcinoma","Cancer cell line",NA,""
-"HCC44","Lung","","HCC-44","","","HCC44","HCC44","HCC-44","","HCC-44","HCC-44","HCC-44","","HCC44","HCC44","HCC-44","","HCC44_LUNG","","lung","","","Lung","LUNG","Lung","lung","","","","lung","lung","Lung","lung","HCC44","lung","","","","lung","CVCL_2060","HCC44_459_2019","HCC-44","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000667"
-"HCC461","Lung","","HCC461","","","HCC461","","","","","","","","","HCC461","","","","","","","","Lung","","","","","","","lung","","","","","","","","","","CVCL_5135","HCC461_505_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000339"
-"HCC515","Lung","","HCC515","","","HCC515","","","","","","","","","HCC515","","","","","","","","Lung","","","","","","","lung","","","","","","","","","","CVCL_5136","HCC515_506_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000872"
-"HCC60","Lung","","","","","HCC60","","","","","","","","","HCC60","","","","","","","","Ovary","","","","","","","ovary","","","","","","","","","","CVCL_G002","HCC60_507_2019","","ovary","Lung adenocarcinoma","Cancer cell line",NA,""
-"HCC630","Ovary/Fallopian Tube","","","","","HCC630","","","","","","","","","HCC630","","","","","","","","Ovary","","","","","","","","","","","","","","","","","CVCL_V729","HCC630_508_2019","","ovary","Ovarian carcinoma","Cancer cell line",NA,""
-"HCC70","Breast","HCC70","HCC70","HCC70","HCC70","HCC70","","HCC70","","HCC70","HCC70","HCC70","hcc70","","HCC70","HCC70","","","breast","breast","breast","breast","Breast","","Breast","breast","breast","HCC70///HCL70","breast","breast","","","breast","","","","","","","CVCL_1270","HCC70_509_2019","HCC70","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000668"
-"HCC712","Breast","","","","","","","","","","","","hcc712","","","","","","","","","","","","","","","","breast","","","","","","","","","","","CVCL_3378","HCC712_510_2019","","breast","Ductal breast carcinoma","Cancer cell line",NA,""
-"HCC78","Lung","","HCC-78","","","HCC78","HCC78","HCC-78","","HCC-78","HCC-78","HCC-78","","HCC78","HCC78","HCC-78","","HCC78_LUNG","","lung","","","Lung","LUNG","Lung:NSCLC","lung","","","","","lung","Lung","lung","HCC78","lung","","","","lung","CVCL_2061","HCC78_461_2019","HCC-78","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000562"
-"HCC812","Breast","","","","","","","","","","","","hcc812","","","","","","","","","","","","","","","","breast","","","","","","","","","","","","HCC812_511_2019","","breast","","",NA,""
-"HCC827","Lung","","HCC827","","","HCC827","HCC827","HCC-827","","HCC827","HCC827","HCC-827","","HCC827","HCC827","HCC-827","","HCC827_LUNG","","lung","","","Lung","LUNG","Lung","lung","","","","lung","lung","Lung","lung","HCC827","lung","","","","lung","CVCL_2063","HCC827_512_2019","HCC-827","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000012"
-"HCC827 GR5","Lung","","HCC-827-GR5///HCC827 GR5","","","","","","","HCC-827-GR5///lung","HCC-827-GR5///lung","","","","","","","","","lung","","","","","","lung","","","","","","","","","","","","","","CVCL_V622","HCC827GR5_462_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000029"
-"HCC827GR","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","HCC827GR6022021_","","","","",NA,"ACH-002333"
-"HCC89","Kidney","","","","","HCC89","","","","","","","","","HCC89","","","","","","","","Kidney","","","","","","","","","","","","","","","","","CVCL_V731","HCC89_513_2019","","kidney","Renal cell carcinoma","Cancer cell line",NA,""
-"HCC95","Lung","","HCC-95","","","","","","","HCC-95","HCC-95","","","HCC95","HCC95","","","HCC95_LUNG","","lung","","","","","","lung","","","","","lung","","","HCC95","lung","","","","lung","CVCL_5137","HCC95_463_2019","","lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000454"
-"HCE-4","Esophagus/Stomach","HCE-4","","","","","","HCE-4","HCE-4","","","HCE-4","","","","HCE-4","","","oesophagus","","","","","","Esophagus","","aero_digestive_tract","","","oesophagus","","","oesophagus","","","","","","","CVCL_1271","HCE4_514_2019","HCE-4","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-002243"
-"HCE-7","Esophagus/Stomach","","","","","","","HCE-7","","","","","","","","","","","","","","","","","Esophagus","","","","","oesophagus","","","oesophagus","","","","","","","CVCL_5138","HCE7_515_2019","","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,""
-"HCE-T","Other","HCE-T","","","","","","HCE-T","","","","","","","","","","","upper_aerodigestive_tract","","","","","","Sinus","","","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_1272","HCET_516_2019","","upper_aerodigestive_tract","","Transformed cell line",NA,"ACH-002336"
-"HCS-2","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2918","HCS-26082021_","","","","",NA,"ACH-001515"
-"HCSC1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","HCSC16092021_","","","","",NA,"ACH-001516"
-"HCT 116","Bowel","HCT-116","HCT 116","HCT116","","HCT 116","HCT116","HCT-116","HCT-116","HCT_116","HCT_116","HCT-116","hct116","HCT116","HCT 116","HCT-116","HCT-116///CO.HCT.116","HCT116_LARGE_INTESTINE","large_intestine","large_intestine","colon","","Colon","LARGE_INTESTINE","Intestin","large_intestine","digestive_system","","colon","large_intestine","large_intestine","Colon","large_intestine","","","","","Colon Cancer///Colon","colorectal","CVCL_0291","HCT116_517_2019","HCT-116","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000971"
-"HCT 15","Bowel","HCT-15","HCT-15","HCT15","","HCT-15","","HCT-15","HCT-15","HCT-15","HCT-15","HCT-15","","HCT15","HCT-15","HCT-15","HCT-15///CO.HCT.15","HCT15_LARGE_INTESTINE","large_intestine","large_intestine","colon","","Colon","","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","HCT15","large_intestine","","","Colon Cancer///Colon","colorectal","CVCL_0292","HCT15_518_2019","HCT-15","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000997"
-"HCT 8","Bowel","","HCT-8","HCT8","","HCT-8","HCT8","","","","","","","HCT8","HCT-8","","","","","large_intestine","colon","","Ileum","LARGE_INTESTINE","","","","","","large_intestine","large_intestine","","","","","","","","","CVCL_2478","HCT8_519_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-001084"
-"HCT-116/CMV-1","","","","","","","","","","","","","","","","","HCT-116/CMV-1","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","HCT-116/CMV-16132021_","","","","",NA,""
-"HCT-116/CMV-2","","","","","","","","","","","","","","","","","HCT-116/CMV-2","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","HCT-116/CMV-26142021_","","","","",NA,""
-"HCT-116/E6-1","","","","","","","","","","","","","","","","","HCT-116/E6-1","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","HCT-116/E6-16152021_","","","","",NA,""
-"HCT-116/E6-2","","","","","","","","","","","","","","","","","HCT-116/E6-2","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","HCT-116/E6-26162021_","","","","",NA,""
-"HCT-116/P","","","","","","","","","","","","","","","","","HCT-116/P","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","HCT-116/P6172021_","","","","",NA,""
-"HCT-116/P21/A","","","","","","","","","","","","","","","","","HCT-116/P21/A","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","HCT-116/P21/A6182021_","","","","",NA,""
-"HCT-116/P21/B","","","","","","","","","","","","","","","","","HCT-116/P21/B","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","HCT-116/P21/B6192021_","","","","",NA,""
-"HCT-116/P21/C","","","","","","","","","","","","","","","","","HCT-116/P21/C","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","HCT-116/P21/C6202021_","","","","",NA,""
-"HCT-116/PV","","","","","","","","","","","","","","","","","HCT-116/PV","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","HCT-116/PV6212021_","","","","",NA,""
-"HD-MY-Z","Myeloid","HD-MY-Z","HD-MY-Z","HDMYZ","","","","HD-MY-Z","","HD-MY-Z","HD-MY-Z","HD-MY-Z","","HDMYZ","","HD-MY-Z","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1273","HDMYZ_520_2019","HD-MY-Z","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000190"
-"HDLM-2","Lymphoid","HDLM-2","HDLM-2","","","","","HDLM-2","HDLM-2","","","HDLM-2","","HDLM2","","HDLM-2","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0009","HDLM2_521_2019","HDLM-2","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000267"
-"HDQ-P1","Breast","","HDQ-P1","","HDQP1","","","HDQ-P1","","HDQ-P1","HDQ-P1","HDQ-P1","hdqp1","HDQP1","HDQ-P1","HDQ-P1","","HDQP1_BREAST","","breast","","breast","","","Breast","breast","","9-hdqp1///HDQP1","breast","breast","breast","Breast","breast","","","HDQP1","breast","","breast","CVCL_2067","HDQP1_522_2019","HDQ-P1","breast","Breast carcinoma","Cancer cell line",NA,"ACH-000643"
-"HEC-1","Uterus","HEC-1","","","","","","HEC-1","HEC-1","","","HEC-1","","","","HEC-1","","","endometrium","endometrium","","","","","Uterus","endometrium","urogenital_system","","","endometrium","","Uterus","endometrium","","","","","","","CVCL_1274","HEC1_523_2019","HEC-1","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-001517"
-"HEC-1-A","Uterus","","HEC-1-A","HEC1A","","HEC-1-A","","","","HEC-1-A","HEC-1-A","","","HEC1A","HEC-1-A","","","HEC1A_ENDOMETRIUM","","endometrium","uterus","","Uterus","","","endometrium","","","","endometrium","endometrium","Uterus","","HEC1A","endometrium","","","","uterus","CVCL_0293","HEC1A_524_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000954"
-"HEC-1-B","Uterus","","HEC-1-B","HEC1B","","","","","","HEC-1-B","HEC-1-B","","","HEC1B","HEC-1-B","","","HEC1B_ENDOMETRIUM","","","uterus","","","","","","","","","endometrium","endometrium","","","HEC1B","endometrium","","","","uterus","CVCL_0294","HEC1B_532_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000941"
-"HEC-108","Uterus","","HEC-108","","","","HEC108","","","HEC-108","HEC-108","","","HEC108","HEC-108","","","HEC108_ENDOMETRIUM","","endometrium","","","","ENDOMETRIUM","","endometrium","","","","endometrium","endometrium","","","HEC108","endometrium","","","","uterus","CVCL_2923","HEC108_525_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000990"
-"HEC-116","Uterus","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2924","HEC-1166292021_","","","","",NA,"ACH-001518"
-"HEC-151","Uterus","","HEC-151","","","","HEC151","","","HEC-151","HEC-151","","","HEC151","HEC-151","","","HEC151_ENDOMETRIUM","","endometrium","","","","ENDOMETRIUM","","endometrium","","","","endometrium","endometrium","Uterus","","HEC151","endometrium","","","","uterus","CVCL_2925","HEC151_526_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000972"
-"HEC-251","Uterus","","HEC-251","","","","HEC251","","","HEC-251","HEC-251","","","HEC251","HEC-251","","","HEC251_ENDOMETRIUM","","endometrium","","","","ENDOMETRIUM","","endometrium","","","","endometrium","endometrium","Uterus","","HEC251","endometrium","","","","uterus","CVCL_2927","HEC251_527_2019","","endometrium","Endometrial carcinoma","Cancer cell line",NA,"ACH-000996"
-"HEC-265","Uterus","","HEC-265","","","","HEC265","","","HEC-265","HEC-265","","","HEC265","HEC-265","","","HEC265_ENDOMETRIUM","","endometrium","","","","ENDOMETRIUM","","endometrium","","","","endometrium","endometrium","Uterus","","HEC265","endometrium","","","","uterus","CVCL_2928","HEC265_528_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000946"
-"HEC-50B","Uterus","","HEC-50B","","","","","","","HEC-50B","HEC-50B","","","HEC50B","HEC-50B","","","","","endometrium","","","","","","endometrium","","","","endometrium","endometrium","","","HEC50B","endometrium","","","","","CVCL_2929","HEC50B_529_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",TRUE,"ACH-000831"
-"HEC-59","Uterus","","HEC-59","","","","HEC59","","","HEC-59","HEC-59","","","HEC59","HEC-59","","","HEC59_ENDOMETRIUM","","endometrium","","","","ENDOMETRIUM","","endometrium","","","","endometrium","endometrium","Uterus","","HEC59","endometrium","","","","uterus","CVCL_2930","HEC59_530_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000994"
-"HEC-6","Uterus","","HEC-6","","","","HEC6","","","HEC-6","HEC-6","","","HEC6","HEC-6","","","HEC6_ENDOMETRIUM","","endometrium","","","","ENDOMETRIUM","","endometrium","","","","endometrium","endometrium","Uterus","","HEC6","endometrium","","","","uterus","CVCL_2931","HEC6_531_2019","","endometrium","Endometrial endometrioid adenocarcinoma, variant with squamous differentiation","Cancer cell line",NA,"ACH-000984"
-"HEK TE","Kidney","","HEK TE","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","","","","","","","","","","","CVCL_WS59","HEKTE_533_2019","","kidney","","Transformed cell line",NA,"ACH-000049"
-"HEL","Myeloid","HEL","HEL","","","HEL","","HEL","","HEL","HEL","HEL","","HEL","HEL","HEL","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0001","HEL_534_2019","HEL","haematopoietic_and_lymphoid_tissue","Erythroleukemia","Cancer cell line",NA,"ACH-000004"
-"HEL 92.1.7","Myeloid","","HEL 92.1.7","HEL9217","","","","","","HEL_92.1.7","HEL_92.1.7","","","HEL9217","","","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2481","HEL92.1.7_535_2019","","haematopoietic_and_lymphoid_tissue","Erythroleukemia","Cancer cell line",NA,"ACH-000005"
-"HEY","Ovary/Fallopian Tube","","","","","HEY","","Hey","Hey","","","Hey","","","HEY","Hey","","","","","","","Ovary","","ovary","","","","","ovary","","","ovary","","","","","","","CVCL_0297","HEY_541_2019","Hey","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-002140"
-"HEY A8","Ovary/Fallopian Tube","","Hey-A8","","","","HEYA8","","","Hey-A8","Hey-A8","","","HEYA8","","","","HEYA8_OVARY","","ovary","","","","OVARY","","ovary","","","","ovary","ovary","","","HEYA8","ovary","","","","ovary","CVCL_8878","HeyA8_542_2019","","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000542"
-"HEp-2","Cervix","","","","","HEp-2","","","","","","","","","HEp-2","","","","","","","","Cervix","","","","","","","upper_aerodigestive_tract","","","","","","","","","","CVCL_1906","HEp2_540_2019","","upper_aerodigestive_tract","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,""
-"HG-3","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_Y547","HG-36422021_","","","","",NA,"ACH-001520"
-"HGC-27","Esophagus/Stomach","HGC-27","HGC-27","","","HGC-27","","HGC-27","","HGC-27","HGC-27","HGC-27","","HGC27","HGC-27","HGC-27","","HGC27_STOMACH","stomach","stomach","","","Stomach","","Stomach","stomach","digestive_system","","","stomach","stomach","Stomach","stomach","","","","","","gastric","CVCL_1279","HGC27_543_2019","HGC-27","stomach","Gastric carcinoma","Cancer cell line",TRUE,"ACH-000847"
-"HH [Human lymphoma]","Lymphoid","HH","HH","HH","","","","HH","","HH","HH","HH","","HH","HH","HH","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1280","HH_544_2019","HH","haematopoietic_and_lymphoid_tissue","Cutaneous T-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-000061"
-"HHUA","Uterus","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3866","HHUA6452021_","","","","",NA,"ACH-002026"
-"HK-2 [Human kidney]","Kidney","","HK-2","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","","","","","","","","","","","CVCL_0302","HK2_545_2019","","kidney","","Transformed cell line",NA,"ACH-001087"
-"HKA-1","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2943","HKA-16472021_","","","","",NA,"ACH-001521"
-"HKGZCC","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","HKGZCC6482021_","","","","",NA,"ACH-001852"
-"HL-60","Myeloid","HL-60","HL-60","HL60","","HL-60","","HL-60","","HL-60","HL-60","HL-60","","HL60","HL-60","HL-60","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0002","HL60_546_2019","HL-60","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000002"
-"HL-60(TB)","Myeloid","","","","","","","","","","","","","","","","HL-60(TB)///LE.HL.60.TB.","","","","","","","","","","","","","","","","","","","","","Leukemia","","CVCL_A794","HL-60(TB)6502021_","","","Acute myeloid leukemia","Cancer cell line",NA,""
-"HLC-1","Lung","","HLC-1","","","","","","","","","","","","","","","","","lung","","","","","","","","","","lung","","","","","","","","","","CVCL_5529","HLC1_547_2019","","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-001088"
-"HLE","Liver","HLE","HLE","","","","","HLE","HLE","","","HLE","","","","HLE","","","liver","liver","","","","","Liver","","digestive_system","","","liver","","","liver","","","","","","","CVCL_1281","HLE_548_2019","HLE","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-001089"
-"HLF","Liver","","HLF","","","","","","","HLF","HLF","","","HLF","HLF","","","HLF_LIVER","","liver","","","","","","liver","","","","liver","liver","Liver","","HLF","liver","","","","liver","CVCL_2947","HLF_549_2019","","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000393"
-"HLF-a","Lung","","HLF-a","","","","","","","HLF-a","HLF-a","","","","","","","","","lung","","","","","","lung","","","","","","","","","","","","","","CVCL_2255","HLFa_550_2019","","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000797"
-"HMC-1-8","Breast","","HMC-1-8","","","","","","","HMC-1-8","HMC-1-8","","","HMC18","","","","HMC18_BREAST","","breast","","","","","","breast","","","","","breast","","","HMC18","breast","","","","breast","CVCL_2949","HMC18_552_2019","","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000721"
-"HMCB","Skin","","HMCB","HMCB","","","","","","HMCB","HMCB","","","HMCB","","","","","","skin","skin","","","","","skin","","","","skin","skin","","","HMCB","skin","","","","","CVCL_3317","HMCB_553_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000931"
-"HMEL","Breast","","HMEL","","","","","","","","","","","","","","","","","breast","","","","","","","","","","","","","","","","","","","","CVCL_IZ34","HMEL_554_2019","","breast","","Transformed cell line",NA,"ACH-000642"
-"HMT-3522 S1","Breast","","","","S1///HMT3522S1","","","","","","","","","","","","","","","","","breast","","","","","","","","","","","","","","","","","","CVCL_2499","S1_1340_2019","","breast","Breast carcinoma","Cancer cell line",NA,""
-"HMT-3522 T4-2","Breast","","","","T4///HMT3522T42","","","","","","","","","","","","","","","","","breast","","","","","","","","","","","","","","","","","","CVCL_2501","T4_1558_2019","","breast","Breast carcinoma","Cancer cell line",NA,""
-"HMV-II","Vulva/Vagina","HMV-II","","","","","","HMV-II","HMV-II","","","HMV-II","","","HMVII","HMV-II","","","skin","","","","","","Skin","","skin","","","skin","","Skin","skin","","","","","","","CVCL_1282","HMVII_555_2019","HMV-II","skin","Vaginal melanoma","Cancer cell line",NA,"ACH-002040"
-"HMY-1","Skin","","","","","HMY-1","","","","","","","","","HMY-1","","","","","","","","Skin","","","","","","","","","","","","","","","","","CVCL_2950","HMY1_556_2019","","skin","Melanoma","Cancer cell line",TRUE,"ACH-001522"
-"HN","Head and Neck","HN","HN","","","HN","","HN","HN","","","HN","","","HN","HN","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","","Oral Cavity","","Head & Neck","","aero_digestive_tract","","","upper_aerodigestive_tract","","Head and Neck","upper_aerodigestive_tract","","","","","","","CVCL_1283","HN_557_2019","HN","upper_aerodigestive_tract","Oral cavity squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001090"
-"HN-5","Head and Neck","","","HN5","","","","","","","","","","","","","","","","","head_and_neck","","","","","","","","","upper_aerodigestive_tract","","","","","","","","","","","HN-56632021_","","upper_aerodigestive_tract","Tongue squamous cell carcinoma","",NA,""
-"HNT-34","Myeloid","","HNT-34","","","HNT-34","","","","","","","","","HNT-34","","","","","","","","Blood","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_2071","HNT34_558_2019","","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000299"
-"HO-1-N-1","Head and Neck","HO-1-N-1","","","","","","HO-1-N-1","HO-1-N-1","","","HO-1-N-1","","","HO-1-N-1","HO-1-N-1","","","upper_aerodigestive_tract","","","","","","Head & Neck","","aero_digestive_tract","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_1284","HO1N1_559_2019","HO-1-N-1","upper_aerodigestive_tract","Buccal mucosa squamous cell carcinoma","Cancer cell line",NA,"ACH-002244"
-"HO-1-u-1","Head and Neck","","","","","","","HO-1-u-1","HO-1-u-1","","","HO-1-u-1","","","HO-1-u-1","HO-1-u-1","","","","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_2784","HO1u1_560_2019","HO-1-u-1","upper_aerodigestive_tract","Floor of mouth squamous cell carcinoma","Cancer cell line",NA,"ACH-002045"
-"HOKUG","Cervix","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8705","HOKUG6672021_","","","","",NA,"ACH-002019"
-"HOP-18","Lung","","","","","","","","","","","","","","","","HOP-18","","","","","","","","","","","","","","","","","","","","","Non-Small Cell Lung Cancer","","CVCL_H642","HOP-186682021_","","","Lung large cell carcinoma","Cancer cell line",NA,""
-"HOP-62","Lung","HOP-62","HOP-62","HOP62","","HOP-62","","HOP-62","","HOP-62","HOP-62","HOP-62","","HOP62","HOP-62","HOP-62","HOP-62///LC.HOP.62","","lung","","lung","","Lung","","Lung","lung","lung","","","lung","","Lung","lung","HOP62","","","","Non-Small Cell Lung Cancer///Non-Small Cell Lung","","CVCL_1285","HOP62_561_2019","HOP-62","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000861"
-"HOP-92","Lung","HOP-92","HOP-92","HOP92","","HOP-92","","HOP-92","","HOP-92","HOP-92","HOP-92","","HOP92","HOP-92","HOP-92","HOP-92///LC.HOP.92","","lung","","lung","","Lung","","Lung:NSCLC","lung","lung","","","lung","","Lung","lung","HOP92","","","","Non-Small Cell Lung Cancer///Non-Small Cell Lung","","CVCL_1286","HOP92_562_2019","HOP-92","lung","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-000825"
-"HOS","Bone","HOS","HOS","HOS","","","","HOS","HOSMNNG","HOS","HOS","HOS","","HOS","","HOS","","HOS_BONE","bone","bone","sarcoma","","","","Bone","bone","bone","","","bone","bone","","bone","HOS","bone","","","","bone","CVCL_0312","HOS_563_2019","HOS","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000613"
-"HOTHC","Thyroid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8708","HOTHC6722021_","","","","",NA,"ACH-002041"
-"HOUA-I","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3867","HOUA-I6732021_","","","","",NA,"ACH-002027"
-"HPAC","Pancreas","","HPAC","HPAC","","HPAC","HPAC","HPAC","","HPAC","HPAC","HPAC","","HPAC","HPAC","HPAC","","HPAC_PANCREAS","","pancreas","pancreas","","Pancreas","PANCREAS","Pancreas","pancreas","","","","pancreas","pancreas","Pancreas","pancreas","","","","","","pancreas","CVCL_3517","HPAC_564_2019","HPAC","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000270"
-"HPAF-II","Pancreas","HPAF-II","HPAF-II","HPAFII","","HPAF-II","","HPAF-II","","HPAF-II","HPAF-II","HPAF-II","","HPAFII","HPAF-II","HPAF-II","","","pancreas","pancreas","pancreas","","Pancreas","","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","HPAFII","pancreas","","","","","CVCL_0313","HPAFII_565_2019","HPAF-II","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-000094"
-"HPB-ALL","Lymphoid","","HPB-ALL","","","","","","","HPB-ALL","HPB-ALL","","","HPBALL","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_1820","HPBALL_566_2019","","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000942"
-"HRT-18","Bowel","","HRT-18","","","","","","","","","","","","","","","","","large_intestine","","","","","","","","","","large_intestine","","","","","","","","","","CVCL_2514","HRT18_567_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-001091"
-"HS-SY-2","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8719","HS-SY-26782021_","","","","",NA,"ACH-002085"
-"HS-Sultan","Lymphoid","","","HSSULTAN","","HS-Sultan","","","","","","","","","HS-Sultan","","","","","","hematopoietic_and_lymphatic_system","","Blood","","","","","","","","","","","","","","","","","CVCL_2516","HSSultan_616_2019","","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,""
-"HSC-1","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2807","HSC-16802021_","","","","",NA,"ACH-001523"
-"HSC-2","Head and Neck","HSC-2","HSC-2","","","","HSC2","HSC-2","","HSC-2","HSC-2","HSC-2","","HSC2","HSC-2","HSC-2","","HSC2_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","","","","UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","upper_aerodigestive_tract","HSC2","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_1287","HSC2_619_2019","HSC-2","upper_aerodigestive_tract","Oral cavity squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000472"
-"HSC-3","Head and Neck","HSC-3","HSC-3","","","","","HSC-3","","HSC-3","HSC-3","HSC-3","","HSC3","HSC-3","HSC-3","","HSC3_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","","","","","Head & Neck","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","upper_aerodigestive_tract","HSC3","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_1288","HSC3_620_2019","HSC-3","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000778"
-"HSC-39","Esophagus/Stomach","","","","","","","HSC-39","HSC-39","","","HSC-39","","","","HSC-39","","","","","","","","","Stomach","","","","","stomach","","","stomach","","","","","","","CVCL_A385","HSC39_621_2019","HSC-39","stomach","Signet ring cell gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-002141"
-"HSC-4","Head and Neck","HSC-4","HSC-4","","","","","HSC-4","","HSC-4","HSC-4","HSC-4","","HSC4","HSC-4","HSC-4","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","","","","Head & Neck","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","upper_aerodigestive_tract","HSC4","upper_aerodigestive_tract","","","","","CVCL_1289","HSC4_622_2019","HSC-4","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000546"
-"HSC-5 [Human skin squamous cell carcinoma]","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0314","HSC-5 [Human skin squamous cell carcinoma]6852021_","","","","",NA,"ACH-001524"
-"HSJD-DIPG-007","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU70","HSJD-DIPG-0076862021_","","","","",NA,"ACH-002348"
-"HSKT-C","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8234","HSKT-C6872021_","","","","",NA,"ACH-002038"
-"HSOS1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","HSOS16882021_","","","","",NA,"ACH-002069"
-"HSQ-89","Head and Neck","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_7674","HSQ-896892021_","","","","",NA,"ACH-002044"
-"HSSCH2","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","HSSCH26902021_","","","","",NA,"ACH-002066"
-"HT","Lymphoid","HT","HT","HT","","HT","HT","","","HT","HT","HT","","HT","HT","HT","HT","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","Lymphoma","","CVCL_1290","HT_624_2019","HT","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000914"
-"HT-1080","Soft Tissue","HT-1080","HT-1080","HT1080","","HT-1080","HT1080","HT-1080","","HT-1080","HT-1080","HT-1080","","HT1080","HT-1080","HT-1080","","HT1080_SOFT_TISSUE","soft_tissue","soft_tissue","connective_tissue","","Lung","SOFT_TISSUE","Miscellaneous","soft_tissue","","","","soft_tissue","soft_tissue","Bone","soft_tissue","","","","","","soft_tissue","CVCL_0317","HT1080_625_2019","HT-1080","soft_tissue","Fibrosarcoma","Cancer cell line",NA,"ACH-000054"
-"HT-1197","Bladder/Urinary Tract","HT-1197","HT-1197","HT1197","","","","HT-1197","","HT-1197","HT-1197","HT-1197","","HT1197","","HT-1197","","","urinary_tract","urinary_tract","bladder","","","","Bladder","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","","urinary_tract","HT1197","urinary_tract","","","","","CVCL_1291","HT1197_627_2019","HT-1197","urinary_tract","Recurrent bladder carcinoma","Cancer cell line",NA,"ACH-000547"
-"HT-1376","Bladder/Urinary Tract","HT-1376","HT-1376","HT1376","","","HT1376","HT-1376","","HT-1376","HT-1376","HT-1376","","HT1376","","HT-1376","","HT1376_URINARY_TRACT","urinary_tract","urinary_tract","bladder","","","URINARY_TRACT","Bladder","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","","urinary_tract","HT1376","urinary_tract","","","","urinary_tract","CVCL_1292","HT1376_628_2019","HT-1376","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000724"
-"HT-144","Skin","HT-144","HT-144","","","HT-144","","HT-144","","HT-144","HT-144","HT-144","","HT144","HT-144","HT-144","","HT144_SKIN","skin","skin","","","Skin","","Skin","skin","skin","","","skin","skin","","skin","HT144","skin","","","","skin","CVCL_0318","HT144_629_2019","HT-144","skin","Melanoma","Cancer cell line",TRUE,"ACH-000322"
-"HT-29","Bowel","HT-29","HT-29","HT29","","HT-29","HT29","HT-29","HT-29","HT-29","HT-29","HT-29","","HT29","HT-29","HT-29","HT29///CO.HT29","HT29_LARGE_INTESTINE","large_intestine","large_intestine","colon","","Colon","LARGE_INTESTINE","Intestin","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","HT29","large_intestine","","","Colon Cancer///Colon","colorectal","CVCL_0320","HT29_630_2019","HT-29","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000552"
-"HT-3","Cervix","HT-3","","HT3","","","","HT-3","HT-3","","","HT-3","","","HT-3","HT-3","","","cervix","","cervix_uteri","","","","Cervix","","urogenital_system","","","cervix","","Cervix","cervix","","","","","","","CVCL_1293","HT3_631_2019","HT-3","cervix","Cervical carcinoma","Cancer cell line",TRUE,"ACH-001525"
-"HT-55","Bowel","HT55","HT55","","","HT-55","HT55","HT55","HT55","HT55","HT55","HT55","","HT55","HT-55","HT55","","HT55_LARGE_INTESTINE","large_intestine","large_intestine","","","Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","HT55","large_intestine","","","","colorectal","CVCL_1294","HT55_632_2019","HT55","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000926"
-"HT115","Bowel","","HT115","","","HT-115","HT115","HT-115","HT-115","HT115","HT115","HT-115","","HT115","HT-115","HT-115","","","","large_intestine","","","Colon","LARGE_INTESTINE","Intestine","large_intestine","","","","","large_intestine","","large_intestine","HT115","large_intestine","","","","","CVCL_2520","HT115_626_2019","HT-115","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000986"
-"HT144SKINFV1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","HT144SKINFV17002021_","","","","",NA,"ACH-002458"
-"HT144SKINFV2","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","HT144SKINFV27012021_","","","","",NA,"ACH-002460"
-"HT144SKINFV3","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","HT144SKINFV37022021_","","","","",NA,"ACH-002459"
-"HT29p53RE22","","","","","","","","","","","","","","","","","HT29p53RE22","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","HT29p53RE227032021_","","","","",NA,""
-"HTC-C3","Thyroid","HTC-C3","","","","","","HTC-C3","HTC-C3","","","HTC-C3","","","","HTC-C3","","","thyroid","","","","","","Thyroid","","thyroid","","","thyroid","","","thyroid","","","","","","","CVCL_1295","HTCC3_633_2019","HTC-C3","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",TRUE,"ACH-001350"
-"HTK-","Bone","","HTK-","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","","","","","","","CVCL_2522","HTK_634_2019","","haematopoietic_and_lymphoid_tissue","Osteosarcoma","Cancer cell line",NA,"ACH-001094"
-"HTMMT","Uterus","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8721","HTMMT7062021_","","","","",NA,"ACH-002046"
-"HeLa","Cervix","","HELA","HELA","","HeLa","","HeLa","HeLa","","","HeLa","","HELA","HeLa","HeLa","","","","","cervix","","Cervix","","Cervix","","","","","cervix","","","cervix","HELA","","","","","","CVCL_0030","HeLa_536_2019","HeLa","cervix","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,"ACH-001086"
-"HeLaSF","Cervix","HeLaSF","","","","","","HeLaSF","","","","","","","","","","","cervix","","","","","","Cervix","","","","","cervix","","","cervix","","","","","","","CVCL_1278","HeLaSF_537_2019","","cervix","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,""
-"Hep 3B2.1-7","Liver","","Hep 3B2.1-7","HEP3B","","","","Hep3B2-1-7","","Hep_3B2-7","Hep_3B2.1-7","Hep_3B2_1-7///Hep3B2-1-7","","HEP3B217","Hep 3B2.1-7","Hep 3B2_1-7","","HEP3B217_LIVER","","liver","liver","","","","Liver","liver","","","","","liver","Liver","liver","HEP3B217","liver","","","","liver","CVCL_0326","Hep3B2.17_538_2019","Hep-3B2-1-7","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000625"
-"Hep-G2","Liver","","Hep G2","HEPG2","","Hep G2","HEPG2","","","Hep_G2","Hep_G2","","","HEPG2","Hep G2","","","","","liver","liver","","Liver","LIVER","","liver","","","","","liver","Liver","","HEPG2","liver","","","","","CVCL_0027","HepG2_539_2019","","liver","Hepatoblastoma","Cancer cell line",NA,"ACH-000739"
-"Hep-G2/C3A","Liver","C3A","C3A","C3A","","C3A","","C3A","C3A","","","C3A","","","C3A","C3A","","","liver","liver","liver","","Liver","","Liver","","digestive_system","","","liver","","Liver","liver","","","","","","","CVCL_1098","C3A_156_2019","C3A","liver","Hepatoblastoma","Cancer cell line",NA,"ACH-001021"
-"Hs 172.T","Bladder/Urinary Tract","","Hs 172.T","","","","","","","Hs_172.T","Hs_172.T","","","","","","","","","urinary_tract","","","","","","urinary_tract","","","","","","","","","","","","","","CVCL_0660","Hs172.T_568_2019","","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000088"
-"Hs 229.T","Lung","","Hs 229.T","","","","","","","Hs_229.T","Hs_229.T","","","","","","","","","lung","","","","","","lung","","","","","","","","","","","","","","CVCL_0698","Hs229.T_569_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000131"
-"Hs 255.T","Bowel","","Hs 255.T","","","Hs 255.T","","","","Hs_255.T","Hs_255.T","","","","Hs 255.T","","","","","large_intestine","","","Colon","","","large_intestine","","","","","","","","","","","","","","CVCL_0707","Hs255.T_570_2019","","large_intestine","Colorectal carcinoma","Cancer cell line",NA,"ACH-000199"
-"Hs 274.T","Breast","","Hs 274.T","","","","","","","Hs_274.T","","","","","","","","","","breast","","","","","","","","","","","","","","","","","","","","CVCL_0711","Hs274.T_571_2019","","breast","Breast carcinoma","Cancer cell line",NA,"ACH-000134"
-"Hs 281.T","Breast","","Hs 281.T","","","","","","","Hs_281.T","Hs_281.T","","","","","","","","","breast","","","","","","breast","","","","","","","","","","","","","","CVCL_0715","Hs281.T_572_2019","","breast","Breast carcinoma","Cancer cell line",NA,"ACH-000083"
-"Hs 294T","Skin","","Hs 294T","","","Hs 294T","","","","Hs_294T","Hs_294T","","","HS294T","Hs 294T","","","HS294T_SKIN","","skin","","","Skin","","","skin","","","","","skin","Skin","","HS294T","skin","","","","skin","CVCL_0331","Hs294T_573_2019","","skin","Melanoma","Cancer cell line",TRUE,"ACH-000014"
-"Hs 343.T","Breast","","Hs 343.T","","","","","","","Hs_343.T","Hs_343.T","","","","","","","","","breast","","","","","","breast","","","","","","","","","","","","","","CVCL_0726","Hs343.T_574_2019","","breast","Breast carcinoma","Cancer cell line",NA,"ACH-000184"
-"Hs 38.T","Ovary/Fallopian Tube","","","","","Hs 38.T","","","","","","","","","Hs 38.T","","","","","","","","Ovary","","","","","","","","","","","","","","","","","CVCL_0735","Hs38.T_575_2019","","ovary","Ovarian teratoma","Cancer cell line",NA,""
-"Hs 445","Lymphoid","","","","","","","Hs-445","Hs-445","","","Hs-445","","","","Hs-445","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0761","Hs445_613_2019","Hs-445","haematopoietic_and_lymphoid_tissue","","Transformed cell line",NA,"ACH-002245"
-"Hs 571.T","Ovary/Fallopian Tube","","Hs 571.T","","","","","","","","","","","","","","","","","ovary","","","","","","","","","","","","","","","","","","","","CVCL_0802","Hs571.T_576_2019","","ovary","Ovarian carcinoma","Cancer cell line",NA,"ACH-001092"
-"Hs 578Bst","Other","","","","","","","","","","","","","HS578BST","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0807","HS578BST_617_2019","","","","Finite cell line",NA,""
-"Hs 578T","Breast","Hs-578-T","Hs 578T","","HS578T","Hs 578T","","Hs-578-T","","Hs_578T","Hs_578T","Hs-578-T","hs578t","HS578T","Hs 578T","Hs-578-T","HS 578T///BR.HS.578T","","breast","breast","","breast","Breast","","breast","breast","breast","8-hs578t///HS578T","breast","breast","breast","Breast","breast","","","HS578T///Hs578T","breast","Breast Cancer///Breast","","CVCL_0332","Hs578T_614_2019","Hs-578-T","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000148"
-"Hs 600.T","Skin","","Hs 600.T","","","","","","","Hs_600.T","Hs_600.T","","","","","","","","","skin","","","","","","skin","","","","","","","","","","","","","","CVCL_0814","Hs600.T_577_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000240"
-"Hs 604.T","Lymphoid","","Hs 604.T","","","","","","","Hs_604.T","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","","","","","","","CVCL_0816","Hs604.T_578_2019","","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-001093"
-"Hs 606.T","Breast","","Hs 606.T","","","","","","","Hs_606.T","Hs_606.T","","","","","","","","","breast","","","","","","breast","","","","","","","","","","","","","","CVCL_0819","Hs606.T_579_2019","","breast","Breast carcinoma","Cancer cell line",NA,"ACH-000540"
-"Hs 611.T","Lymphoid","","Hs 611.T","","","","","","","Hs_611.T","Hs_611.T","","","HS611T","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_0823","Hs611.T_580_2019","","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000069"
-"Hs 616.T","Lymphoid","","Hs 616.T","","","","","","","Hs_616.T","Hs_616.T","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","CVCL_0825","Hs616.T_581_2019","","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000063"
-"Hs 618.T","Lung","","Hs 618.T","","","","","","","Hs_618.T","Hs_618.T","","","","","","","","","lung","","","","","","lung","","","","","","","","","","","","","","CVCL_0827","Hs618.T_582_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000539"
-"Hs 633.T","Soft Tissue","","","","","","","Hs-633T","Hs633T","","","Hs-633T","","","","Hs633T","","","","","","","","","Misc","","","","","","","","misc","","","","","","","CVCL_0832","Hs633T_615_2019","Hs633T","misc","Fibrosarcoma","Cancer cell line",NA,"ACH-002246"
-"Hs 675.T","Bowel","","Hs 675.T","","","Hs 675.T","","","","Hs_675.T","Hs_675.T","","","","Hs 675.T","","","","","large_intestine","","","Colon","","","large_intestine","","","","","","","","","","","","","","CVCL_0836","Hs675.T_583_2019","","large_intestine","Colorectal carcinoma","Cancer cell line",NA,"ACH-000214"
-"Hs 683","CNS/Brain","","Hs 683","","","Hs 683","","Hs-683","","Hs_683","Hs_683","Hs683///Hs-683","","HS683","Hs 683","Hs683","","","","central_nervous_system","","","Brain","","Brain","central_nervous_system","","","","","central_nervous_system","Brain","central_nervous_system","HS683","central_nervous_system","","","","","CVCL_0844","Hs683_584_2019","Hs683","central_nervous_system","Oligodendroglioma","Cancer cell line",NA,"ACH-000067"
-"Hs 688(A).T","Skin","","Hs 688(A).T","","","","","","","Hs_688_A_.T","Hs_688_A_.T","","","HS688AT","","","","","","skin","","","","","","skin","","","","","skin","","","","","","","","","CVCL_0846","Hs688(A).T_585_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000306"
-"Hs 695T","Skin","","Hs 695T","","","Hs 69ST///Hs 695T","","","","Hs_695T","Hs_695T","","","","Hs 69ST///Hs 695T","","","","","skin","","","Skin","","","skin","","","","","","Skin","","","","","","","","CVCL_0851","Hs69ST_588_2019","","skin","Amelanotic melanoma","Cancer cell line",TRUE,"ACH-000799"
-"Hs 698.T","Bowel","","Hs 698.T","","","","","","","Hs_698.T","Hs_698.T","","","","","","","","","large_intestine","","","","","","large_intestine","","","","","","","","","","","","","","CVCL_0855","Hs698.T_587_2019","","large_intestine","Colorectal carcinoma","Cancer cell line",TRUE,"ACH-000850"
-"Hs 706.T","Bone","","Hs 706.T","","","","","","","Hs_706.T","Hs_706.T","","","","","","","","","bone","","","","","","bone","","","","","","","","","","","","","","CVCL_0863","Hs706.T_589_2019","","bone","Malignant giant cell tumor of bone","Cancer cell line",NA,"ACH-000071"
-"Hs 729.T","Soft Tissue","","Hs 729","","","","","","","Hs_729","Hs_729","","","HS729","","","","HS729_SOFT_TISSUE","","soft_tissue","","","","","","soft_tissue","","","","","soft_tissue","","","HS729","soft_tissue","","","","fibroblast","CVCL_0871","Hs729_590_2019","","soft_tissue","Embryonal rhabdomyosarcoma","Cancer cell line",NA,"ACH-000133"
-"Hs 737.T","Bone","","Hs 737.T","","","","","","","Hs_737.T","Hs_737.T","","","","","","","","","bone","","","","","","bone","","","","","","","","","","","","","","CVCL_0878","Hs737.T_591_2019","","bone","Malignant giant cell tumor of bone","Cancer cell line",NA,"ACH-000185"
-"Hs 739.T","Breast","","Hs 739.T","","","","","","","Hs_739.T","Hs_739.T","","","","","","","","","breast","","","","","","breast","","","","","","","","","","","","","","CVCL_0882","Hs739.T_592_2019","","breast","Breast carcinoma","Cancer cell line",NA,"ACH-000413"
-"Hs 742.T","Breast","","Hs 742.T","","","","","","","Hs_742.T","Hs_742.T","","","","","","","","","breast","","","","","","breast","","","","","","","","","","","","","","CVCL_0888","Hs742.T_593_2019","","breast","Breast carcinoma","Cancer cell line",NA,"ACH-000230"
-"Hs 746.T","Esophagus/Stomach","","Hs 746T","HS746T","","Hs 746T","","Hs746T","","Hs_746T","Hs_746T","Hs746T///Hs-746T","","HS746T","Hs 746T","Hs746T","","","","stomach","stomach","","Stomach","","Stomach","stomach","","","","","stomach","Stomach","stomach","HS746T","stomach","","","","","CVCL_0333","Hs746T_594_2019","Hs746T","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000616"
-"Hs 751.T","Lymphoid","","Hs 751.T","","","","","","","Hs_751.T","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","","","","","","","CVCL_0891","Hs751.T_595_2019","","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000165"
-"Hs 766T","Pancreas","","Hs 766T","","","Hs 766T","","Hs-766T","","Hs_766T","Hs_766T","Hs766T///Hs-766T","","HS766T","Hs 766T","Hs766T","","HS766T_PANCREAS","","pancreas","","","Pancreas","","Pancreas","pancreas","","","","","pancreas","Pancreas","pancreas","HS766T","pancreas","","","","pancreas","CVCL_0334","Hs766T_596_2019","Hs766T","pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000178"
-"Hs 819.T","Bone","","Hs 819.T","","","","","","","Hs_819.T","Hs_819.T","","","","","","","","","bone","","","","","","bone","","","","","","","","HS819T","bone","","","","","CVCL_0928","Hs819.T_597_2019","","bone","Chondrosarcoma","Cancer cell line",NA,"ACH-000224"
-"Hs 821.T","Bone","","Hs 821.T","","","","","","","Hs_821.T","Hs_821.T","","","","","","","","","bone","","","","","","bone","","","","","","","","","","","","","","CVCL_0932","Hs821.T_598_2019","","bone","Malignant giant cell tumor of bone","Cancer cell line",NA,"ACH-000526"
-"Hs 822.T","Bone","","Hs 822.T","","","","","","","Hs_822.T","Hs_822.T","","","HS822T","","","","","","bone","","","","","","bone","","","","","bone","","","","","","","","","CVCL_0933","Hs822.T_599_2019","","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000229"
-"Hs 834.T","Skin","","Hs 834.T","","","","","","","Hs_834.T","Hs_834.T","","","","","","","","","skin","","","","","","skin","","","","","","","","","","","","","","CVCL_0938","Hs834.T_600_2019","","skin","Melanoma","Cancer cell line",TRUE,"ACH-000275"
-"Hs 839.T","Skin","","Hs 839.T","","","Hs 839.T","","","","Hs_839.T","Hs_839.T","","","HS839T","Hs 839.T","","","","","skin","","","Skin","","","skin","","","","","skin","","","HS839T","skin","","","","","CVCL_0941","Hs839.T_601_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000180"
-"Hs 840.T","Head and Neck","","Hs 840.T","","","","","","","Hs_840.T","Hs_840.T","","","","","","","","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","","","","","","","","","","CVCL_0942","Hs840.T_602_2019","","upper_aerodigestive_tract","Squamous papilloma","Cancer cell line",NA,"ACH-000284"
-"Hs 852.T","Skin","","Hs 852.T","","","Hs 852.T","HS852T","","","Hs_852.T","Hs_852.T","","","HS852T","Hs 852.T","","","HS852T_SKIN","","skin","","","Skin","SKIN","","skin","","","","","skin","Skin","","","","","","","skin","CVCL_0950","Hs852.T_603_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000274"
-"Hs 860.T","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0957","Hs 860.T7512021_","","","","",NA,"ACH-001712"
-"Hs 863.T","Bone","","Hs 863.T","","","","","","","Hs_863.T","Hs_863.T","","","","","","","","","bone","","","","","","bone","","","","","","","","","","","","","","CVCL_0959","Hs863.T_604_2019","","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000119"
-"Hs 870.T","Bone","","Hs 870.T","","","","","","","Hs_870.T","Hs_870.T","","","","","","","","","bone","","","","","","bone","","","","","","","","","","","","","","CVCL_0966","Hs870.T_605_2019","","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000340"
-"Hs 888.Lu","Other","","","","","","","","","","","","","HS888LU","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0977","HS888LU_618_2019","","","","Finite cell line",NA,""
-"Hs 888.T","Bone","","Hs 888.T","","","","","","","Hs_888.T","Hs_888.T","","","HS888T","","","","","","bone","","","","","","bone","","","","","bone","","","HS888T","bone","","","","","CVCL_0979","Hs888.T_606_2019","","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000154"
-"Hs 895.T","Skin","","Hs 895.T","","","Hs 895.T","","","","Hs_895.T","Hs_895.T","","","HS895T","Hs 895.T","","","","","skin","","","Skin","","","skin","","","","","skin","","","HS895T","skin","","","","","CVCL_0993","Hs895.T_607_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000043"
-"Hs 934.T","Skin","","Hs 934.T","","","","","","","Hs_934.T","Hs_934.T","","","HS934T","","","","","","skin","","","","","","skin","","","","","skin","","","HS934T","skin","","","","","CVCL_1031","Hs934.T_608_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000194"
-"Hs 936.T","Skin","","Hs 936.T","","","Hs 936.T","HS936T","","","Hs_936.T","Hs_936.T","","","HS936T","Hs 936.T","","","","","skin","","","Skin","SKIN","","skin","","","","","skin","","","","","","","","","CVCL_1033","Hs936.T_609_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000801"
-"Hs 939.T","Skin","","Hs 939.T","","","","","","","Hs_939.T","Hs_939.T","Hs939-T///Hs-939-T","","","","Hs939-T","","HS939T_SKIN","","skin","","","","","","skin","","","","","","","skin","","","","","","skin","CVCL_1036","Hs939.T_610_2019","Hs939-T","skin","Melanoma","Cancer cell line",NA,"ACH-000814"
-"Hs 940.T","Skin","","Hs 940.T","","","Hs 940.T","","Hs-940-T","","Hs_940.T","Hs_940.T","Hs940-T///Hs-940-T","","HS940T","Hs 940.T","Hs940-T","","","","skin","","","Skin","","Skin","skin","","","","","skin","","skin","","","","","","","CVCL_1038","Hs940.T_611_2019","Hs940-T","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000135"
-"Hs 944.T","Skin","","Hs 944.T","","","","HS944T","Hs-944-T","","Hs_944.T","Hs_944.T","","","HS944T","","","","HS944T_SKIN","","skin","","","","SKIN","Skin","skin","","","","","skin","","skin","HS944T","skin","","","","skin","CVCL_1040","Hs944.T_612_2019","","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000632"
-"HuCC-T1","Biliary Tract","HuCCT1","HuCCT1","","","","","HuCCT1","","HuCCT1","HuCCT1","HuCCT1","","HUCCT1","HuCCT1","HuCCT1","","HUCCT1_BILIARY_TRACT","biliary_tract","biliary_tract","","","","","Liver","biliary_tract","digestive_system","","","biliary_tract","biliary_tract","Liver","biliary_tract","","","","","","bile_duct","CVCL_0324","HuCCT1_635_2019","HuCCT1","biliary_tract","Intrahepatic cholangiocarcinoma","Cancer cell line",TRUE,"ACH-000976"
-"HuG1-N","Esophagus/Stomach","","HuG1-N","","","","","","","HuG1-N","HuG1-N","","","HUG1N","","","","","","stomach","","","","","","stomach","","","","","stomach","","","","","","","","","CVCL_4846","HuG1N_636_2019","","stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-000239"
-"HuH-1","Liver","","huH-1","","","huH-1","","huH-1","","huH-1","huH-1","huH-1","","HUH1","huH-1","huH-1","","","","liver","","","Liver","","Liver","liver","","","","","liver","Liver","liver","HUH1","liver","","","","","CVCL_2956","huH1_637_2019","huH-1","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000475"
-"HuH-28","Biliary Tract","HuH-28","HuH28","","","","","","","HuH28","","","","HUH28","","","","HUH28_BILIARY_TRACT","biliary_tract","biliary_tract","","","","","","","","","","biliary_tract","biliary_tract","","","HUH28","biliary_tract","","","","bile_duct","CVCL_2955","HuH28_638_2019","","biliary_tract","Intrahepatic cholangiocarcinoma","Cancer cell line",NA,"ACH-000808"
-"HuH-6","Liver","","","","","","","","","","","","","","","","","HUH6_LIVER","","","","","","","","","","","","","","","","","","","","","liver","CVCL_4381","HuH-67662021_","","","","",NA,"ACH-000671"
-"HuH-6 Clone 5","Liver","HUH-6-clone5","HuH-6","","","","","","HUH-6-clone5","HuH-6","HuH-6","HUH-6-clone5","","HUH6","","","","","liver","liver","","","","","","liver","","","","liver","liver","","liver","","","","","","","CVCL_1296","HUH6clone5_639_2019","","liver","Hepatoblastoma","Cancer cell line",NA,"ACH-002395"
-"HuNS1","Lymphoid","HuNS1","HuNS1","HUNS1","","","","","","HuNS1","HuNS1","","","HUNS1","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2526","HuNS1_641_2019","","haematopoietic_and_lymphoid_tissue","","Transformed cell line",NA,"ACH-000829"
-"HuO-3N1","Bone","HuO-3N1","","","","","","HuO-3N1","HuO-3N1","","","HuO-3N1","","","","HuO-3N1","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1297","HuO3N1_642_2019","HuO-3N1","bone","Osteosarcoma","Cancer cell line",NA,"ACH-002142"
-"HuO9","Bone","HuO9","","","","","","HuO9","HuO9","","","HuO9","","","","HuO9","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1298","HuO9_643_2019","HuO9","bone","Osteosarcoma","Cancer cell line",NA,"ACH-001526"
-"HuP-T3","Pancreas","HuP-T3","HUP-T3","","","HUP-T3","","HuP-T3","","HUP-T3","HUP-T3","HuP-T3","","HUPT3","HUP-T3","HuP-T3","","HUPT3_PANCREAS","pancreas","pancreas","","","Pancreas","","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","HUPT3","pancreas","","","","pancreas","CVCL_1299","HuPT3_644_2019","HuP-T3","pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000118"
-"HuP-T4","Pancreas","HuP-T4","HUP-T4","HUPT4","","HUP-T4","HUPT4","HuP-T4","","HUP-T4","HUP-T4","HuP-T4","","HUPT4","HUP-T4","HuP-T4","","","pancreas","pancreas","pancreas","","Pancreas","PANCREAS","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","HUPT4","pancreas","","","","","CVCL_1300","HuPT4_645_2019","HuP-T4","pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000213"
-"HuT 102","Lymphoid","","HuT 102","","","","","","","HuT_102","HuT_102","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","CVCL_3526","HuT102_646_2019","","haematopoietic_and_lymphoid_tissue","Mycosis fungoides and Sezary syndrome","Cancer cell line",NA,"ACH-000612"
-"HuT 78","Lymphoid","","HuT 78","HUT78","","","","","","HuT_78","HuT_78","","","HUT78","","","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_0337","HuT78_647_2019","","haematopoietic_and_lymphoid_tissue","Mycosis fungoides and Sezary syndrome","Cancer cell line",NA,"ACH-000509"
-"HuTu 80","Esophagus/Stomach","HUTU-80","HuTu 80","","","","","HUTU-80","","HuTu_80","HuTu_80","HUTU-80///HuTu-80","","","","HUTU-80","","","small_intestine","small_intestine","","","","","Intestine","small_intestine","","","","small_intestine","","","small_intestine","","","","","","","CVCL_1301","HUTU80_648_2019","HUTU-80","small_intestine","Duodenal adenocarcinoma","Cancer cell line",NA,"ACH-000538"
-"Huh-7","Liver","HuH-7","HuH-7","","","HuH-7","","HuH-7","","HuH-7","HuH-7","HuH-7","","","HUH-7","HuH-7","","HUH7_LIVER","liver","liver","","","Liver","","Liver","liver","digestive_system","","","liver","","Liver","liver","","","","","","liver","CVCL_0336","HuH7_640_2019","HuH-7","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000480"
-"I 9.2","Lymphoid","","","","","","","I-9-2","","","","","","","","","","","","","","","","","Blood","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_3725","I92_649_2019","","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,""
-"IA-LM","Lung","IA-LM","IA-LM","","","","","IA-LM","","IA-LM","IA-LM","IA-LM","","IALM","","IA-LM","","IALM_LUNG","lung","lung","","","","","Lung","lung","lung","","","lung","lung","","lung","IALM","lung","","","","lung","CVCL_1302","IALM_650_2019","IA-LM","lung","Large cell lung carcinoma","Cancer cell line",NA,"ACH-000672"
-"ICC10","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC107792021_","","","","",NA,"ACH-001834"
-"ICC106","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC1067802021_","","","","",NA,"ACH-001835"
-"ICC108","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC1087812021_","","","","",NA,"ACH-001836"
-"ICC12","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC127822021_","","","","",NA,"ACH-001838"
-"ICC137","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC1377832021_","","","","",NA,"ACH-001839"
-"ICC15","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC157842021_","","","","",NA,"ACH-001841"
-"ICC2","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VV27","ICC27852021_","","","","",NA,"ACH-001842"
-"ICC3","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC37862021_","","","","",NA,"ACH-001843"
-"ICC4","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC47872021_","","","","",NA,"ACH-001844"
-"ICC5","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VV28","ICC57882021_","","","","",NA,"ACH-001845"
-"ICC6","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC67892021_","","","","",NA,"ACH-001846"
-"ICC8","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC87902021_","","","","",NA,"ACH-001848"
-"ICC9","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","ICC97912021_","","","","",NA,"ACH-001849"
-"IGR-1","Skin","IGR-1","IGR-1","","","","","IGR-1","","IGR-1","IGR-1","IGR-1","","IGR1","IGR-1","IGR-1","","IGR1_SKIN","skin","skin","","","","","Skin","skin","skin","","","skin","skin","Skin","skin","IGR1","skin","","","","skin","CVCL_1303","IGR1_651_2019","IGR-1","skin","Melanoma","Cancer cell line",TRUE,"ACH-000882"
-"IGR-37","Skin","","IGR-37","","","IGR-37","","IGR-37","","IGR-37","IGR-37","IGR-37","","IGR37","IGR-37","IGR-37","","IGR37_SKIN","","skin","","","Skin","","Skin","skin","","","","skin","skin","Skin","skin","IGR37","skin","","","","skin","CVCL_2075","IGR37_652_2019","IGR-37","skin","Melanoma","Cancer cell line",TRUE,"ACH-000650"
-"IGR-39","Skin","","IGR-39","","","","","","","","","","","IGR39","IGR-39","","","","","skin","","","","","","","","","","skin","skin","Skin","","IGR39","skin","","","","","CVCL_2076","IGR39_653_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000550"
-"IGROV-1","Ovary/Fallopian Tube","IGROV-1","IGROV1","IGROV1","","IGROV-1","IGROV1","IGROV-1","","IGROV1","IGROV1","IGROV-1","","IGROV1","IGROV-1","IGROV-1","IGROV1///OV.IGROV1","IGROV1_OVARY","ovary","ovary","ovary","","Ovary","OVARY","Ovary","ovary","urogenital_system","","","ovary","ovary","Ovary","ovary","IGROV1","ovary","IGROV1","ovary","Ovarian Cancer///Ovarian","ovary","CVCL_1304","IGROV1_654_2019","IGROV-1","ovary","Ovarian endometrioid adenocarcinoma","Cancer cell line",NA,"ACH-000966"
-"IHH-4","Thyroid","","","","","","","IHH-4","IHH-4","","","IHH-4","","","","IHH-4","","","","","","","","","Thyroid","","","","","thyroid","","","thyroid","","","","","","","CVCL_2960","IHH4_655_2019","IHH-4","thyroid","Thyroid gland papillary carcinoma","Cancer cell line",TRUE,"ACH-001528"
-"IM-9","Lymphoid","IM-9","","","","","","IM-9","IM-9","","","IM-9","","","","IM-9","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1305","IM9_656_2019","IM-9","haematopoietic_and_lymphoid_tissue","","Transformed cell line",NA,"ACH-002247"
-"IM95","Esophagus/Stomach","","IM95","","","IM-95","","IM-95","","IM95","IM95","IM-95","","IM95","IM-95","IM-95","","IM95_STOMACH","","stomach","","","Stomach","","Stomach","stomach","","","","stomach","stomach","","stomach","IM95","stomach","","","","gastric","CVCL_2961","IM95_657_2019","IM-95","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000919"
-"IM95m","Esophagus/Stomach","","","","","IM-95m","","","","","","","","","IM-95m","","","","","","","","Stomach","","","","","","","","","","","","","","","","","CVCL_2962","IM95m_658_2019","","stomach","Gastric adenocarcinoma","Cancer cell line",NA,""
-"IMR-32","Peripheral Nervous System","","IMR-32","","","IMR-32","","","","IMR-32","IMR-32","","","IMR32","IMR-32","","","","","autonomic_ganglia","","","Brain","","","autonomic_ganglia","","","","autonomic_ganglia","autonomic_ganglia","Brain","","IMR32","autonomic_ganglia","","","","","CVCL_0346","IMR32_659_2019","","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-000310"
-"IMR-5","Peripheral Nervous System","IMR-5","","","","","","IMR-5","IMR-5","","","IMR-5","","","","IMR-5","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1306","IMR5_660_2019","IMR-5","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002248"
-"INA-6","Lymphoid","","INA-6","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","","","","","","","CVCL_5209","INA-68022021_","","haematopoietic_and_lymphoid_tissue","","Cancer cell line",NA,"ACH-000512"
-"IOMM-Lee","CNS/Brain","","IOMM-Lee","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","","","","","","","","","","CVCL_5779","IOMMLee_661_2019","","central_nervous_system","Meningioma","Cancer cell line",NA,"ACH-000629"
-"IOSE-364","Ovary/Fallopian Tube","","","","","","","IOSE-364-","","","","","","","","","","","","","","","","","Ovary","","","","","","","","ovary","","","","","","","CVCL_5540","IOSE364_662_2019","","ovary","","Transformed cell line",NA,""
-"IOSE-397","Ovary/Fallopian Tube","","","","","","","IOSE-397","","","","","","","","","","","","","","","","","Ovary","","","","","","","","ovary","","","","","","","CVCL_5541","IOSE397_663_2019","","ovary","","Transformed cell line",NA,""
-"IOSE-523","Ovary/Fallopian Tube","","","","","","","IOSE-523-","","","","","","","","","","","","","","","","","Ovary","","","","","","","","ovary","","","","","","","CVCL_E234","IOSE523_664_2019","","ovary","","Transformed cell line",NA,""
-"IOSE-75-16SV40","Ovary/Fallopian Tube","","","","","","","IOSE-75-16SV40","","","","","","","","","","","","","","","","","Ovary","","","","","","","","ovary","","","","","","","CVCL_EQ74","IOSE7516SV40_665_2019","","ovary","","Transformed cell line",NA,""
-"IPC-298","Skin","IPC-298","IPC-298","","","IPC-298","","IPC-298","","IPC-298","IPC-298","IPC-298","","IPC298","IPC-298","IPC-298","","IPC298_SKIN","skin","skin","","","Skin","","Skin","skin","skin","","","skin","skin","Skin","skin","IPC298","skin","","","","skin","CVCL_1307","IPC298_666_2019","IPC-298","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000915"
-"IST-MEL1","Skin","IST-MEL1","","","","","","IST-MEL1","IST-MEL1","","","IST-MEL1","","","","IST-MEL1","","","skin","","","","","","Skin","","skin","","","skin","","","skin","","","","","","","CVCL_1308","ISTMEL1_669_2019","IST-MEL1","skin","Melanoma","Cancer cell line",NA,"ACH-002143"
-"IST-Mes1","Pleura","IST-MES1","IST-MES1","","","","","IST-MES1","IST-MES1","IST-MES1","IST-MES1","IST-MES1","","ISTMES1","","IST-MES1","","ISTMES1_PLEURA","pleura","pleura","","","","","Lung","pleura","lung","","","pleura","pleura","","pleura","ISTMES1","pleura","","","","mesothelioma","CVCL_1311","ISTMES1_670_2019","IST-MES1","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000569"
-"IST-Mes2","Pleura","","IST-MES2","","","","","","","IST-MES2","IST-MES2","","","","","","","ISTMES2_PLEURA","","pleura","","","","","","pleura","","","","","","","","","","","","","mesothelioma","CVCL_1312","ISTMES2_671_2019","","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000331"
-"IST-SL1","Lung","IST-SL1","","","","","","IST-SL1","IST-SL1","","","IST-SL1","","","","IST-SL1","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1313","ISTSL1_672_2019","IST-SL1","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002144"
-"IST-SL2","Lung","IST-SL2","","","","","","IST-SL2","IST-SL2","","","IST-SL2","","","","IST-SL2","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1314","ISTSL2_673_2019","IST-SL2","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002145"
-"ITO-II","Testis","ITO-II","","","","","","","","","","","","","","","","","testis","","","","","","","","","","","testis","","","","","","","","","","","ITO-II8142021_","","testis","Testicular embryonal carcinoma","",NA,""
-"Ishikawa","Uterus","","","","","","","Ishikawa","","","","","","","","","","","","","","","","","Uterus","","","","","endometrium","","","endometrium","","","","","","","CVCL_2529","Ishikawa_667_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,""
-"Ishikawa (Heraklio) 02 ER-","Uterus","","Ishikawa (Heraklio) 02 ER-","","","","ISHIKAWAHERAKLIO02ER","Ishikawa_Heraklio_02ER-","","Ishikawa__Heraklio__02_ER-","Ishikawa__Heraklio__02_ER-","Ishikawa_Heraklio_02ER-","","ISHIKAWAHERAKLIO02ER","","","","ISHIKAWAHERAKLIO02ER_ENDOMETRIUM","","endometrium","","","","ENDOMETRIUM","Heraklio_02ER-_Uterus","endometrium","","","","","endometrium","","endometrium","ISHIKAWAHERAKLIO02ER","","","","","uterus","CVCL_6543","Ishikawa(Heraklio)02ER_668_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000961"
-"J.RT3-T3.5","Lymphoid","J-RT3-T3-5","","JRT3T35","","","","J-RT3-T3-5","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1316","JRT3T35_674_2019","","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,""
-"J82","Bladder/Urinary Tract","J82","J82","J82","","","","J82","","J82","J82","J82","","J82","","J82","","J82_URINARY_TRACT","urinary_tract","urinary_tract","bladder","","","","Bladder","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","","urinary_tract","J82","urinary_tract","","","","urinary_tract","CVCL_0359","J82_675_2019","J82","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000396"
-"J82-EBV","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5H97","J82-EBV8192021_","","","","",NA,"ACH-002379"
-"JAR","Gestational","JAR","","JAR","","","","JAR","JAR","","","JAR","","","","JAR","","","testis","","placenta","","","","Miscellaneous","","urogenital_system","","","testis","","","testis","","","","","","","CVCL_0360","JAR_676_2019","JAR","testis","Gestational choriocarcinoma","Cancer cell line",NA,"ACH-001529"
-"JCA-1","Bladder/Urinary Tract","","","","","","","","","","","","","","","","JCA-1","","","","","","","","","","","","","","","","","","","","","Prostate Cancer","","CVCL_4015","JCA-18212021_","","","Bladder carcinoma","Cancer cell line",NA,""
-"JEG-3","Other","JEG-3","","JEG3","","","","JEG-3","JEG-3","","","JEG-3","","","","JEG-3","","","placenta","","placenta","","","","Uterus","","urogenital_system","","","placenta","","","placenta","","","","","","","CVCL_0363","JEG3_677_2019","JEG-3","placenta","Gestational choriocarcinoma","Cancer cell line",TRUE,"ACH-001530"
-"JH-EsoAd1","Esophagus/Stomach","","JH-EsoAd1","","","","","","","","","","","","","","","","","oesophagus","","","","","","","","","","oesophagus","","","","","","","","","","CVCL_8098","JHEsoAd1_679_2019","","oesophagus","Barrett adenocarcinoma","Cancer cell line",NA,"ACH-000216"
-"JHC7","Bone","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_L154","JHC78242021_","","","","",NA,"ACH-001955"
-"JHH-1","Liver","","JHH-1","","","JHH-1","","JHH-1","","JHH-1","JHH-1","JHH-1","","JHH1","JHH-1","JHH-1","","JHH1_LIVER","","liver","","","Liver","","Liver","liver","","","","liver","liver","","liver","JHH1","liver","","","","liver","CVCL_2785","JHH1_680_2019","JHH-1","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000620"
-"JHH-2","Liver","","JHH-2","","","JHH-2","","JHH-2","","JHH-2","JHH-2","JHH-2","","JHH2","JHH-2","JHH-2","","","","liver","","","Liver","","Liver","liver","","","","liver","liver","Liver","liver","JHH2","liver","","","","","CVCL_2786","JHH2_681_2019","JHH-2","liver","Hepatocellular carcinoma","Cancer cell line",TRUE,"ACH-000577"
-"JHH-4","Liver","","JHH-4","","","JHH-4","","JHH-4","","JHH-4","JHH-4","JHH-4","","JHH4","JHH-4","JHH-4","","JHH4_LIVER","","liver","","","Liver","","Liver","liver","","","","liver","liver","Liver","liver","JHH4","liver","","","","liver","CVCL_2787","JHH4_682_2019","JHH-4","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000476"
-"JHH-5","Liver","","JHH-5","","","JHH-5","","","","JHH-5","JHH-5","","","JHH5","JHH-5","","","JHH5_LIVER","","liver","","","Liver","","","liver","","","","liver","liver","Liver","","JHH5","liver","","","","liver","CVCL_0364","JHH5_683_2019","","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000734"
-"JHH-6","Liver","","JHH-6","","","","JHH6","JHH-6","","JHH-6","JHH-6","JHH-6","","JHH6","","JHH-6","","JHH6_LIVER","","liver","","","","LIVER","Liver","liver","","","","liver","liver","","liver","JHH6","liver","","","","liver","CVCL_2788","JHH6_684_2019","JHH-6","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000217"
-"JHH-7","Liver","","JHH-7","","","JHH-7","","JHH-7","","JHH-7","JHH-7","JHH-7","","","JHH-7","JHH-7","","JHH7_LIVER","","liver","","","Liver","","Liver","liver","","","","liver","","Liver","liver","","","","","","liver","CVCL_2805","JHH7_685_2019","JHH-7","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000848"
-"JHOC-5","Ovary/Fallopian Tube","","JHOC-5","","","","JHOC5","","","JHOC-5","JHOC-5","","","JHOC5","","","","JHOC5_OVARY","","ovary","","","","OVARY","","ovary","","","","","ovary","","","JHOC5","ovary","","","","ovary","CVCL_4640","JHOC5_686_2019","","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",NA,"ACH-000324"
-"JHOM-1","Ovary/Fallopian Tube","","JHOM-1","","","","JHOM1","","","JHOM-1","JHOM-1","","","JHOM1","","","","JHOM1_OVARY","","ovary","","","","OVARY","","ovary","","","","ovary","ovary","","","JHOM1","ovary","","","","ovary","CVCL_4644","JHOM1_687_2019","","ovary","Ovarian mucinous adenocarcinoma","Cancer cell line",NA,"ACH-000237"
-"JHOM-2B","Ovary/Fallopian Tube","","JHOM-2B","","","","","","","JHOM-2B","JHOM-2B","","","","","","","","","ovary","","","","","","ovary","","","","","","","","","","","","","","CVCL_4645","JHOM2B_688_2019","","ovary","Ovarian mucinous adenocarcinoma","Cancer cell line",NA,"ACH-000333"
-"JHOS-2","Ovary/Fallopian Tube","","JHOS-2","","","","","JHOS-2","","JHOS-2","JHOS-2","JHOS-2","","JHOS2","","JHOS-2","","JHOS2_OVARY","","ovary","","","","","Ovary","ovary","","","","","ovary","","ovary","JHOS2","ovary","JHOS2","ovary","","ovary","CVCL_4647","JHOS2_689_2019","JHOS-2","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000132"
-"JHOS-3","Ovary/Fallopian Tube","","","","","","","JHOS-3","JHOS-3","","","JHOS-3","","","","JHOS-3","","","","","","","","","Ovary","","","","","","","","ovary","","","","","","","CVCL_4648","JHOS3_690_2019","JHOS-3","ovary","Ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-002146"
-"JHOS-4","Ovary/Fallopian Tube","","JHOS-4","","","","JHOS4","JHOS-4","","JHOS-4","JHOS-4","JHOS-4","","","","JHOS-4","","","","ovary","","","","OVARY","Ovary","ovary","","","","","","","ovary","","","","","","","CVCL_4649","JHOS4_691_2019","JHOS-4","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000584"
-"JHU-011","Head and Neck","","","","","","","JHU-011","JHU-011","","","JHU-011","","","","JHU-011","","","","","","","","","Head & Neck","","","","","","","","head_and_neck","","","","","","","CVCL_5986","JHU011_692_2019","JHU-011","head_and_neck","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-002249"
-"JHU-013","Head and Neck","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5988","JHU013_693_2019","","upper_aerodigestive_tract","Hypopharyngeal squamous cell carcinoma","Cancer cell line",NA,""
-"JHU-019","Prostate","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5989","JHU019_694_2019","","prostate","Prostate carcinoma","Cancer cell line",TRUE,""
-"JHU-022","Head and Neck","","","","","","","JHU-022","JHU-022","","","JHU-022","","","","JHU-022","","","","","","","","","Head & Neck","","","","","","","","head_and_neck","","","","","","","CVCL_5991","JHU022_695_2019","JHU-022","head_and_neck","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-002250"
-"JHU-028","Lung","","","","","","","JHU-028","","","","","","","","","","","","","","","","","upper_aerodigestive_tract","","","","","","","","upper_aerodigestive_tract","","","","","","","CVCL_5992","JHU028_696_2019","","upper_aerodigestive_tract","Lung adenocarcinoma","Cancer cell line",NA,"ACH-002337"
-"JHU-029","Head and Neck","","","","","","","JHU-029","JHU-029","","","JHU-029","","","","JHU-029","","","","","","","","","upper_aerodigestive_tract","","","","","","","","upper_aerodigestive_tract","","","","","","","CVCL_5993","JHU029_697_2019","JHU-029","upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-002251"
-"JHUEM-1","Uterus","","JHUEM-1","","","","","","","JHUEM-1","JHUEM-1","","","JHUEM1","","","","","","endometrium","","","","","","endometrium","","","","","endometrium","","","JHUEM1","endometrium","","","","","CVCL_4655","JHUEM1_698_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000928"
-"JHUEM-2","Uterus","","JHUEM-2","","","","JHUEM2","","","JHUEM-2","JHUEM-2","","","JHUEM2","","","","JHUEM2_ENDOMETRIUM","","endometrium","","","","ENDOMETRIUM","","endometrium","","","","","endometrium","","","JHUEM2","endometrium","","","","uterus","CVCL_4656","JHUEM2_699_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000909"
-"JHUEM-3","Uterus","","JHUEM-3","","","","","","","JHUEM-3","JHUEM-3","","","JHUEM3","","","","","","endometrium","","","","","","endometrium","","","","endometrium","endometrium","","","JHUEM3","endometrium","","","","","CVCL_4657","JHUEM3_700_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000173"
-"JHUEM-7","Uterus","","JHUEM-7","","","","","","","JHUEM-7","JHUEM-7","","","JHUEM7","","","","","","endometrium","","","","","","endometrium","","","","","endometrium","","","","","","","","","CVCL_4658","JHUEM7_701_2019","","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000993"
-"JIMT-1","Breast","","JIMT-1","","JIMT1","JIMT-1","","JIMT-1","","JIMT-1","JIMT-1","JIMT-1","jimt1","JIMT1","JIMT-1","JIMT-1","","JIMT1_BREAST","","breast","","breast","Breast","","breast","breast","","JIMT-1","breast","breast","breast","","breast","","","","","","breast","CVCL_2077","JIMT1_702_2019","JIMT-1","breast","Ductal breast carcinoma","Cancer cell line",TRUE,"ACH-000711"
-"JJ012","Bone","","","","","JJ012","","","","","","","","","JJ012","","","","","","","","Cartilage","","","","","","","","","","","","","","","","","CVCL_D605","JJ012_705_2019","","cartilage","Primary central chondrosarcoma","Cancer cell line",NA,""
-"JJN-3","Lymphoid","","JJN-3","","","JJN-3","","JJN-3","","JJN-3","JJN-3","JJN-3","","JJN3","JJN-3","JJN-3","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2078","JJN3_706_2019","JJN-3","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000653"
-"JK-1","Myeloid","","JK-1","","","","","","","JK-1","JK-1","","","JK1","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2079","JK1_707_2019","","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000241"
-"JL-1","Pleura","","JL-1","","","JL-1","","","","JL-1","JL-1","","","JL1","JL-1","","","","","pleura","","","Pleura","","","pleura","","","","","pleura","","","JL1","pleura","","","","","CVCL_2080","JL1_708_2019","","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000645"
-"JM-1","Lymphoid","","JM1","JM1","","","","JM1","","JM1","JM1","JM1","","JM1","","JM1","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_3532","JM1_709_2019","JM1","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000151"
-"JMSU-1","Bladder/Urinary Tract","","JMSU-1","","","","","","","JMSU-1","JMSU-1","","","JMSU1","","","","JMSU1_URINARY_TRACT","","urinary_tract","","","","","","urinary_tract","","","","urinary_tract","urinary_tract","","","JMSU1","urinary_tract","","","","urinary_tract","CVCL_2081","JMSU1_710_2019","","urinary_tract","Bladder carcinoma","Cancer cell line",TRUE,"ACH-000753"
-"JMU-RTK-2","Kidney","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_4W58","JMU-RTK-28542021_","","","","",NA,"ACH-001532"
-"JR","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_RT33","JR8552021_","","","","",NA,"ACH-001096"
-"JSC-1","Lymphoid","","","","","","","JSC-1","JSC-1","","","JSC-1","","","","JSC-1","","","","","","","","","Blood","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_3728","JSC1_711_2019","JSC-1","haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,"ACH-002253"
-"JURL-MK1","Myeloid","","JURL-MK1","","","","","JURL-MK1","","JURL-MK1","JURL-MK1","JURL-MK1","","JURLMK1","","JURL-MK1","","","","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2086","JURLMK1_714_2019","JURL-MK1","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000326"
-"JVM-2","Lymphoid","JVM-2","JVM-2","","","","","JVM-2","","JVM-2","JVM-2","JVM-2","","JVM2","JVM-2","JVM-2","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1319","JVM2_715_2019","JVM-2","haematopoietic_and_lymphoid_tissue","Mantle cell lymphoma","Transformed cell line",NA,"ACH-000106"
-"JVM-3","Lymphoid","JVM-3","JVM-3","JVM3","","","","JVM-3","","JVM-3","JVM-3","JVM-3","","JVM3","","JVM-3","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1320","JVM3_716_2019","JVM-3","haematopoietic_and_lymphoid_tissue","B-cell prolymphocytic leukemia","Transformed cell line",NA,"ACH-000346"
-"JeKo-1","Lymphoid","","JeKo-1","","","JEKO-1","","JEKO-1","","JeKo-1","JeKo-1","JEKO-1","","JEKO1","JeKo-1","JEKO-1","","","","haematopoietic_and_lymphoid_tissue","","","Lymph Node","","Blood","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1865","JeKo1_678_2019","JEKO-1","haematopoietic_and_lymphoid_tissue","Mantle cell lymphoma","Cancer cell line",NA,"ACH-000357"
-"Jiyoye","Lymphoid","JiyoyeP-2003","","JIYOYE","","Jiyoye","","JiyoyeP-2003","JiyoyeP-2003","","","JiyoyeP-2003","","","Jiyoye","JiyoyeP-2003","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","Blood","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1317","Jiyoye_703_2019","JiyoyeP-2003","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-002252"
-"JoPaca-1","Pancreas","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_S507","JoPaca-18622021_","","","","",NA,"ACH-001353"
-"Jurkat","Lymphoid","","","","","","","JURKAT","","","","","","JURKAT","","Jurkat","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0065","JURKAT_712_2019","Jurkat","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000995"
-"Jurkat E6.1","Lymphoid","","JURKAT","","","Jurkat, Clone E6-1","","","","JURKAT","JURKAT","Jurkat","","","Jurkat, Clone E6-1","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","CVCL_0367","Jurkat,CloneE61_713_2019","","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,""
-"K-562","Myeloid","K-562","K-562","K562","","K-562","","K-562","","K-562","K-562","K-562","","K562","K-562","K-562","K-562///LE.K.562","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","K562","blood","Leukemia","","CVCL_0004","K562_717_2019","K-562","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000551"
-"K029AX","Skin","","K029AX","","","","","","","K029AX","K029AX","","","K029AX","","","","K029AX_SKIN","","skin","","","","","","skin","","","","","skin","","","K029AX","skin","","","","skin","CVCL_8784","K029AX_718_2019","","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000404"
-"K1","Thyroid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2537","K1_720_2019","","thyroid","Thyroid gland papillary carcinoma","Cancer cell line",NA,""
-"K19","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_W796","K19_721_2019","","skin","Cutaneous melanoma","Cancer cell line",NA,""
-"K2 [Human melanoma]","Skin","","","","","","","K2","K2","","","K2","","","","K2","","","","","","","","","skin","","","","","thyroid","","","thyroid","","","","","","","CVCL_AT85","K2_722_2019","K2","thyroid","Melanoma","Cancer cell line",NA,"ACH-002147"
-"K4 [Human melanoma]","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_AT86","K4_723_2019","","skin","Melanoma","Cancer cell line",NA,""
-"K5","Thyroid","K5","","","","","","K5","K5","","","K5","","","","K5","","","thyroid","","","","","","thyroid","","thyroid","","","thyroid","","","thyroid","","","","","","","CVCL_1322","K5_724_2019","K5","thyroid","Thyroid gland papillary carcinoma","Cancer cell line",NA,"ACH-002148"
-"KALS-1","CNS/Brain","KALS-1","KALS-1","","","","","KALS-1","","KALS-1","KALS-1","KALS-1","","KALS1","KALS-1","KALS-1","","KALS1_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","Brain","central_nervous_system","KALS1","central_nervous_system","","","","central_nervous_system","CVCL_1323","KALS1_726_2019","KALS-1","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000231"
-"KATO III","Esophagus/Stomach","KATOIII","KATO III","KATOIII","","KATO III","","KATOIII","","KATO_III","KATO_III","KATOIII","","KATOIII","KATO III","KATOIII","","","stomach","stomach","stomach","","Stomach","","Stomach","stomach","","","","stomach","stomach","","stomach","KATOIII","stomach","","","","","CVCL_0371","KATOIII_737_2019","KATOIII","stomach","Down syndrome","Cancer cell line",TRUE,"ACH-000793"
-"KCI-MOH1","Pancreas","","KCI-MOH1","","","KCI-MOH1","","","","","","","","","KCI-MOH1","","","","","pancreas","","","Pancreas","","","","","","","","","Pancreas","","","","","","","","CVCL_2090","KCIMOH1_738_2019","","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-001098"
-"KCL-22","Myeloid","","KCL-22","","","","","KCL-22","","KCL-22","KCL-22","KCL-22","","KCL22","","KCL-22","","","","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2091","KCL22_739_2019","KCL-22","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000983"
-"KD [Human abdomen rhabdoid tumor]","Other","","KD","","","","","","","","","","","","","","","","","soft_tissue","","","","","","","","","","","","","","","","","","","","CVCL_U757","KD [Human abdomen rhabdoid tumor]8762021_","","soft_tissue","","Cancer cell line",NA,"ACH-001099"
-"KE-37","Lymphoid","KE-37","KE-37","","","","","KE-37","","KE-37","KE-37","KE-37","","KE37","","KE-37","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1327","KE37_740_2019","KE-37","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000101"
-"KE-39","Esophagus/Stomach","","KE-39","","","","","","","KE-39","KE-39","","","KE39","KE-39","","","","","stomach","","","","","","stomach","","","","","stomach","Stomach","","KE39","stomach","","","","","CVCL_3385","KE39_741_2019","","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000507"
-"KE-97","Lymphoid","","KE-97","","","","KE97","","","KE-97","KE-97","","","KE97","KE-97","","","","","haematopoietic_and_lymphoid_tissue","","","","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","Stomach","","","","","","","","CVCL_3386","KE97_742_2019","","haematopoietic_and_lymphoid_tissue","","Transformed cell line",NA,"ACH-000167"
-"KG-1","Myeloid","KG-1","KG-1","KG1","","KG-1","","KG-1","","KG-1","KG-1","KG-1","","","KG-1","KG-1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","","Blood","haematopoietic_and_lymphoid_tissue","","","KG1","blood","","","CVCL_0374","KG1_744_2019","KG-1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000386"
-"KG-1-C","CNS/Brain","","KG-1-C","","","","","","","KG-1-C","KG-1-C","","","KG1C","","","","","","central_nervous_system","","","","","","central_nervous_system","","","","central_nervous_system","central_nervous_system","","central_nervous_system","","","","","","","CVCL_2971","KG1C_745_2019","","central_nervous_system","Oligodendroglioma","Cancer cell line",NA,"ACH-000126"
-"KGN","Ovary/Fallopian Tube","KGN","","","","","","KGN","KGN","","","KGN","","","","KGN","","","ovary","","","","","","Ovary","","urogenital_system","","","ovary","","","ovary","","","KGN","ovary","","","CVCL_0375","KGN_746_2019","KGN","ovary","Ovarian granulosa cell tumor","Cancer cell line",NA,"ACH-002149"
-"KHM-1B","Lymphoid","","KHM-1B","","","KHM-1B","","","","KHM-1B","KHM-1B","","","KHM1B","KHM-1B","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","","","","","","","","CVCL_2972","KHM1B_747_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000564"
-"KHOS-240S","Bone","","","KHOS240S","","","","","","","","","","","","","","","","","sarcoma","","","","","","","","","bone","","","","","","","","","","","KHOS-240S8842021_","","bone","Osteosarcoma","",NA,""
-"KHYG-1","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2976","KHYG-18852021_","","","","",NA,"ACH-001100"
-"KINGS-1","CNS/Brain","KINGS-1","","","","","","KINGS-1","KINGS-1","","","KINGS-1","","","KINGS-1","KINGS-1","","","central_nervous_system","","","","","","CNS","","nervous_system","","","central_nervous_system","","Brain","central_nervous_system","","","","","","","CVCL_1328","KINGS1_749_2019","KINGS-1","central_nervous_system","Anaplastic astrocytoma","Cancer cell line",NA,"ACH-002257"
-"KKU-100","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3996","KKU-1008872021_","","","","",NA,"ACH-001536"
-"KKU-213A","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M261","KKU-213A8882021_","","","","",NA,"ACH-001538"
-"KLE","Uterus","KLE","KLE","KLE","","KLE","KLE","KLE","","KLE","KLE","KLE","","KLE","KLE","KLE","","","endometrium","endometrium","uterus","","Uterus","ENDOMETRIUM","Uterus","endometrium","urogenital_system","","","endometrium","endometrium","Uterus","endometrium","KLE","endometrium","","","","","CVCL_1329","KLE_750_2019","KLE","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000293"
-"KLM-1","Pancreas","","KLM-1","","","KLM-1","","","","","","","","","KLM-1","","","","","pancreas","","","Pancreas","","","","","","","","","","","","","","","","","CVCL_5146","KLM1_751_2019","","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-001101"
-"KM-H2","Lymphoid","KM-H2","KM-H2","","","","","KM-H2","","KM-H2","KM-H2","KM-H2","","KMH2","","KM-H2","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1330","KMH2_752_2019","KM-H2","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000815"
-"KM12","Bowel","KM12","KM12","KM12","","KM-12","KM12","KM12","","KM12","KM12","KM12","","KM12","KM-12","KM12","KM12///CO.KM12","","large_intestine","large_intestine","colon","","Colon","LARGE_INTESTINE","large_intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","","","","","Colon Cancer///Colon","","CVCL_1331","KM12_753_2019","KM12","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000969"
-"KM20L2","Bowel","","","","","","","","","","","","","","","","KM20L2","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","CVCL_D889","KM20L28932021_","","","Colon adenocarcinoma","Cancer cell line",NA,""
-"KMBC-2","Bladder/Urinary Tract","","KMBC-2","","","","KMBC2","","","KMBC-2","KMBC-2","","","KMBC2","","","","KMBC2_URINARY_TRACT","","urinary_tract","","","","URINARY_TRACT","","urinary_tract","","","","","urinary_tract","","","KMBC2","urinary_tract","","","","urinary_tract","CVCL_2977","KMBC2_754_2019","","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000862"
-"KMCH-1","Liver","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_7970","KMCH-18952021_","","","","",NA,"ACH-001853"
-"KMH-2","Thyroid","","","","","","","KMH-2","KMH-2","","","KMH-2","","","","KMH-2","","","","","","","","","","","","","","thyroid","","","thyroid","","","","","","","CVCL_S641","KMH2_755_2019","KMH-2","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",NA,"ACH-002397"
-"KML-1","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2979","KML-18972021_","","","","",NA,"ACH-001539"
-"KMLS-1","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2980","KMLS-18982021_","","","","",NA,"ACH-001540"
-"KMM-1","Lymphoid","","KMM-1","","","KMM-1","","","","KMM-1","KMM-1","","","KMM1","KMM-1","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","","","","","","","","CVCL_2981","KMM1_756_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000889"
-"KMOE-2","Myeloid","KMOE-2","","","","","","KMOE-2","KMOE-2","","","KMOE-2","","","","KMOE-2","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1332","KMOE2_757_2019","KMOE-2","haematopoietic_and_lymphoid_tissue","Erythroleukemia","Cancer cell line",NA,"ACH-002258"
-"KMRC-1","Kidney","","KMRC-1","","","","","KMRC-1","","KMRC-1","KMRC-1","KMRC-1","","KMRC1","KMRC-1","KMRC-1","","KMRC1_KIDNEY","","kidney","","","","","Kidney","kidney","","","","kidney","kidney","Kidney","kidney","KMRC1","kidney","","","","kidney","CVCL_2983","KMRC1_758_2019","KMRC-1","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000684"
-"KMRC-2","Kidney","","KMRC-2","","","","","","","KMRC-2","KMRC-2","","","KMRC2","","","","","","kidney","","","","","","kidney","","","","","kidney","","","KMRC2","kidney","","","","","CVCL_2984","KMRC2_759_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000709"
-"KMRC-20","Kidney","","KMRC-20","","","","","KMRC-20","","KMRC-20","KMRC-20","KMRC-20","","KMRC20","KMRC-20","KMRC-20","","KMRC20_KIDNEY","","kidney","","","","","Kidney","kidney","","","","kidney","kidney","","kidney","","","","","","kidney","CVCL_2986","KMRC20_760_2019","KMRC-20","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000250"
-"KMRC-3","Kidney","","KMRC-3","","","","","","","KMRC-3","KMRC-3","","","KMRC3","","","","KMRC3_KIDNEY","","kidney","","","","","","kidney","","","","","kidney","","","KMRC3","kidney","","","","kidney","CVCL_2985","KMRC3_761_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000313"
-"KMS-11","Lymphoid","","KMS-11","","","KMS-11","KMS11","KMS-11","","KMS-11","KMS-11","KMS-11","","KMS11","KMS-11","KMS-11","","","","haematopoietic_and_lymphoid_tissue","","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","pleural effusion","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2989","KMS11_762_2019","KMS-11","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000714"
-"KMS-12-BM","Lymphoid","KMS-12-BM","KMS-12-BM","","","KMS-12-BM","","KMS-12-BM","","KMS-12-BM","KMS-12-BM","KMS-12-BM","","KMS12BM","KMS-12-BM","KMS-12-BM","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1334","KMS12BM_763_2019","KMS-12-BM","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000380"
-"KMS-12-PE","Lymphoid","KMS-12-PE","","","","KMS-12-PE","","","","","","","","","KMS-12-PE","","","","haematopoietic_and_lymphoid_tissue","","","","Bone Marrow","","","","","","","haematopoietic_and_lymphoid_tissue","","Bone Marrow","","","","","","","","CVCL_1333","KMS12PE_764_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,""
-"KMS-18","Lymphoid","","KMS-18","","","","","","","","","","","KMS18","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_A637","KMS18_765_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000658"
-"KMS-20","Lymphoid","","KMS-20","","","","","","","KMS-20","KMS-20","","","KMS20","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2990","KMS20_766_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000426"
-"KMS-21-BM","Other","","KMS-21BM","","","KMS-21BM","","","","KMS-21BM","KMS-21BM","","","KMS21BM","KMS-21BM","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2991","KMS21BM_767_2019","","haematopoietic_and_lymphoid_tissue","","Undefined cell line type",NA,"ACH-000598"
-"KMS-26","Lymphoid","","KMS-26","","","KMS-26","","","","KMS-26","KMS-26","","","KMS26","KMS-26","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","","","","","","","","CVCL_2992","KMS26_768_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000588"
-"KMS-27","Lymphoid","","KMS-27","","","KMS-27","","","","KMS-27","KMS-27","","","KMS27","KMS-27","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2993","KMS27_769_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000576"
-"KMS-28BM","Lymphoid","","KMS-28BM","","","KMS-28BM","","","","KMS-28BM","KMS-28BM","","","KMS28BM","KMS-28BM","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2994","KMS28BM_770_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000419"
-"KMS-28PE","Lymphoid","","","","","KMS-28PE","","","","","","","","","KMS-28PE","","","","","","","","Blood","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_2995","KMS28PE_771_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-001541"
-"KMS-34","Lymphoid","","KMS-34","","","KMS-34","","","","KMS-34","KMS-34","","","KMS34","KMS-34","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","","","","","","","","CVCL_2996","KMS34_772_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000541"
-"KNS-42","CNS/Brain","KNS-42","KNS-42","","","","","KNS-42","","KNS-42","KNS-42","KNS-42","","KNS42","","KNS-42","","KNS42_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","KNS42","central_nervous_system","","","","central_nervous_system","CVCL_0378","KNS42_773_2019","KNS-42","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000622"
-"KNS-60","CNS/Brain","","KNS-60","","","","","","","KNS-60","KNS-60","","","KNS60","","","","KNS60_CENTRAL_NERVOUS_SYSTEM","","central_nervous_system","","","","","","central_nervous_system","","","","central_nervous_system","central_nervous_system","","","KNS60","central_nervous_system","","","","central_nervous_system","CVCL_2798","KNS60_774_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000445"
-"KNS-62","Lung","KNS-62","KNS-62","","","KNS-62","KNS62","KNS-62","KNS-62","KNS-62","KNS-62","KNS-62","","KNS62","KNS-62","KNS-62","","KNS62_LUNG","lung","lung","","","Lung","LUNG","Lung","lung","lung","","","lung","lung","Lung","lung","KNS62","lung","","","","lung","CVCL_1335","KNS62_775_2019","KNS-62","lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000858"
-"KNS-81","CNS/Brain","","","","","","","","","","","","","KNS81","","","","KNS81_CENTRAL_NERVOUS_SYSTEM","","","","","","","","","","","","","central_nervous_system","","","KNS81","central_nervous_system","","","","central_nervous_system","CVCL_2799","KNS81_777_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000479"
-"KNS-81-FD","CNS/Brain","KNS-81-FD","KNS-81","","","","","KNS-81-FD","KNS-81-FD","KNS-81","KNS-81","KNS-81-FD","","","KNS-81","KNS-81-FD","","","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","","Brain","central_nervous_system","","","","","","","CVCL_1336","KNS81FD_776_2019","KNS-81-FD","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002259"
-"KO52","Myeloid","K052","KO52","","","","","K052","KO52","","","KO52","","KO52","","KO52","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1321","K052_719_2019","KO52","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000498"
-"KON","Head and Neck","","","","","","","KON","KON","","","KON","","","KON","KON","","","","","","","","","Head & Neck","","","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_3001","KON_778_2019","KON","upper_aerodigestive_tract","Floor of mouth squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001542"
-"KOPN-8","Lymphoid","","KOPN-8","","","","","KOPN-8","","KOPN-8","KOPN-8","KOPN-8","","","","KOPN-8","","","","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1866","KOPN8_779_2019","KOPN-8","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-001106"
-"KOSC-2","Head and Neck","KOSC-2","","","","","","KOSC-2","KOSC-2","","","KOSC-2","","","","KOSC-2","","","upper_aerodigestive_tract","","","","","","Head & Neck","","aero_digestive_tract","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_1337","KOSC2_780_2019","KOSC-2","upper_aerodigestive_tract","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-002260///ACH-001543"
-"KP-1N","Pancreas","","KP-1N","","","","","KP-1N","KP-1N","","","KP-1N","","","","KP-1N","","","","pancreas","","","","","Pancreas","","","","","pancreas","","","pancreas","","","","","","","CVCL_3002","KP1N_781_2019","KP-1N","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-001107"
-"KP-1NL","Pancreas","","KP-1NL","","","","","","","","","","","","","","","","","pancreas","","","","","","","","","","","","","","","","","","","","CVCL_3003","KP1NL_782_2019","","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-001108"
-"KP-2","Pancreas","","KP-2","","","KP-2","","KP-2","","KP-2","KP-2","KP-2","","KP2","KP-2","KP-2","","KP2_PANCREAS","","pancreas","","","Pancreas","","pancreas","pancreas","","","","pancreas","pancreas","","pancreas","KP2","pancreas","","","","pancreas","CVCL_3004","KP2_783_2019","KP-2","pancreas","Pancreatic carcinoma","Cancer cell line",NA,"ACH-000281"
-"KP-3","Pancreas","","KP-3","","","KP-3","KP3","KP-3","","KP-3","KP-3","KP-3","","KP3","KP-3","KP-3","","KP3_PANCREAS","","pancreas","","","Pancreas","PANCREAS","Pancreas","pancreas","","","","pancreas","pancreas","Pancreas","pancreas","KP3","pancreas","","","","pancreas","CVCL_3005","KP3_784_2019","KP-3","pancreas","Pancreatic adenosquamous carcinoma","Cancer cell line",TRUE,"ACH-000108"
-"KP-4","Pancreas","KP-4","KP4","","","KP4","","KP-4","","KP4","KP4","KP-4","","KP4","KP4","KP-4","","KP4_PANCREAS","pancreas","pancreas","","","Pancreas","","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","","","","","","pancreas","CVCL_1338","KP4_785_2019","KP-4","pancreas","Pancreatic carcinoma","Cancer cell line",TRUE,"ACH-000265"
-"KP-MRT-RY","Kidney","","KPMRTRY","","","","","","","","","","","","","","","","","soft_tissue","","","","","","","","","","","","","","","","","","","","CVCL_7051","KP-MRT-RY9302021_","","soft_tissue","","Cancer cell line",NA,"ACH-001109"
-"KP-N-RT-BM-1","Peripheral Nervous System","KP-N-RT-BM-1","KP-N-RT-BM-1","","","","","","","KP-N-RT-BM-1","KP-N-RT-BM-1","KP-N-RT-BM-1","","","","KP-N-RT-BM-1","","","autonomic_ganglia","autonomic_ganglia","","","","","","autonomic_ganglia","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1339","KPNRTBM1_786_2019","KP-N-RT-BM-1","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000345"
-"KP-N-SI9s","Peripheral Nervous System","KP-N-S19s","KP-N-SI9s","","","","","","","KP-N-SI9s","KP-N-SI9s","","","KPNSI9S","KP-N-SI9s","","","","autonomic_ganglia","autonomic_ganglia","","","","","","autonomic_ganglia","","","","autonomic_ganglia","autonomic_ganglia","Brain","","KPNSI9S","autonomic_ganglia","","","","","CVCL_1340","KPNS19s_787_2019","","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-000446"
-"KP-N-YN","Peripheral Nervous System","KP-N-YN","KP-N-YN","","","","","KP-N-YN","","KP-N-YN","KP-N-YN","KP-N-YN","","KPNYN","KP-N-YN","KP-N-YN","","","autonomic_ganglia","autonomic_ganglia","","","","","autonomic_ganglia","autonomic_ganglia","nervous_system","","","autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","","","","","","","CVCL_1341","KPNYN_788_2019","KP-N-YN","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000227"
-"KP-N-YS","Peripheral Nervous System","KP-N-YS","","","","","","","KP-N-YS","","","KP-N-YS","","","","KP-N-YS","","","autonomic_ganglia","","","","","","","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1342","KPNYS_789_2019","KP-N-YS","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002261"
-"KPD","Bone","","","","","","","","KPD","","","","","","","","","","","","","","","","","","","","","","","","bone","","","","","","","CVCL_B412","KPD9352021_","","bone","Osteosarcoma","Cancer cell line",NA,""
-"KPL-1","Breast","","KPL-1","KPL1","","KPL-1","","","","KPL-1","KPL-1","","kpl1","KPL1","KPL-1","","","","","breast","breast","","Breast","","","breast","","15-kpl1///KPL1///KPL-1","breast","breast","breast","","","","","","","","","CVCL_2094","KPL1_790_2019","","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000028"
-"KPL-4","Breast","","","","","KPL-4","","","","","","","","","KPL-4","","","","","","","","Breast","","","","","","","","","","","","","","","","","CVCL_5310","KPL4_791_2019","","breast","Inflammatory breast carcinoma","Cancer cell line",TRUE,""
-"KRIJ","Other","","","","","","","","","","","","","KRIJ","","","","","","","","","","","","","","","","","","","","","","","","","","","KRIJ_792_2019","","","","",NA,""
-"KS-1 [Human glioblastoma]","CNS/Brain","KS-1","KS-1","","","","","KS-1","","KS-1","KS-1","KS-1","","","","KS-1","","","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1343","KS1_793_2019","KS-1","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000631"
-"KTCTL-13","Kidney","","","","","","","RCC-ER","RCC-ER","","","RCC-ER","","","","RCC-ER","","","","","","","","","Kidney","","","","","kidney","","","kidney","","","","","","","CVCL_5870","RCCER_1288_2019","RCC-ER","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002188"
-"KTCTL-140","Kidney","","","","","","","RCC-JF","RCC-JF","","","RCC-JF","","","","RCC-JF","","","","","","","","","kidney","","","","","kidney","","","kidney","","","","","","","CVCL_5879","RCCJF_1290_2019","RCC-JF","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002190"
-"KTCTL-195","Kidney","","","","","","","RCC-JW","RCC-JW","","","RCC-JW","","","","RCC-JW","","","","","","","","","Kidney","","","","","kidney","","","kidney","","","","","","","CVCL_5880","RCCJW_1291_2019","RCC-JW","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002191"
-"KTCTL-1M","Kidney","","","","","","","RCC-MF","RCC-MF","","","RCC-MF","","","","RCC-MF","","","","","","","","","Kidney","","","","","kidney","","","kidney","","","","","","","CVCL_5884","RCCMF_1292_2019","RCC-MF","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002192"
-"KTCTL-21","Kidney","","","","","","","RCC-AB","RCC-AB","","","RCC-AB","","","","RCC-AB","","","","","","","","","Kidney","","","","","kidney","","","kidney","","","","","","","CVCL_5868","RCCAB_1287_2019","RCC-AB","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002187"
-"KTCTL-26A","Kidney","","","","","","","RCC-FG2","RCC-FG2","","","RCC-FG2","","","","RCC-FG2","","","","","","","","","Kidney","","","","","kidney","","","kidney","","","","","","","CVCL_5873","RCCFG2_1289_2019","RCC-FG2","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002189"
-"KU-19-19","Bladder/Urinary Tract","KU-19-19","KU-19-19","","","","","KU-19-19","","KU-19-19","KU-19-19","KU-19-19","","KU1919","","KU-19-19","","KU1919_URINARY_TRACT","urinary_tract","urinary_tract","","","","","urinary_tract","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","","urinary_tract","KU1919","urinary_tract","","","","urinary_tract","CVCL_1344","KU1919_794_2019","KU-19-19","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000486"
-"KY821","Myeloid","KY821","","","","","","KY821","KY821","","","KY821","","","","KY821","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1346","KY821_797_2019","KY821","haematopoietic_and_lymphoid_tissue","Acute myelomonocytic leukemia","Cancer cell line",NA,"ACH-002262"
-"KYAE-1","Esophagus/Stomach","","","","","","","KYAE-1","KYAE-1","","","KYAE-1","","","","KYAE-1","","","","","","","","","Esophagus","","","","","oesophagus","","","oesophagus","","","","","","","CVCL_1825","KYAE1_798_2019","KYAE-1","oesophagus","Esophageal adenocarcinoma","Cancer cell line",TRUE,"ACH-001544"
-"KYM-1","Soft Tissue","","KYM-1","","","","","KYM-1","","KYM-1","KYM-1","KYM-1","","KYM1","","KYM-1","","","","soft_tissue","","","","","Muscle","soft_tissue","","","","soft_tissue","soft_tissue","","soft_tissue","KYM1","soft_tissue","","","","","CVCL_3007","KYM1_799_2019","KYM-1","soft_tissue","Alveolar rhabdomyosarcoma","Cancer cell line",NA,"ACH-000607"
-"KYO-1","Myeloid","","KYO-1","","","","","","","KYO-1","KYO-1","","","KYO1","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2095","KYO1_800_2019","","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000604"
-"KYSE-140","Esophagus/Stomach","KYSE-140","KYSE-140","","","KYSE-140","KYSE140","KYSE-140","","KYSE-140","KYSE-140","KYSE-140","","KYSE140","KYSE-140","KYSE-140","","KYSE140_OESOPHAGUS","oesophagus","oesophagus","","","Esophagus","OESOPHAGUS","Esophagus","oesophagus","","","","oesophagus","oesophagus","Esophagus","oesophagus","KYSE140","oesophagus","","","","esophagus","CVCL_1347","KYSE140_801_2019","KYSE-140","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000823"
-"KYSE-150","Esophagus/Stomach","KYSE-150","KYSE-150","","","KYSE-150","","KYSE-150","","KYSE-150","KYSE-150","KYSE-150","","KYSE150","KYSE-150","KYSE-150","","KYSE150_OESOPHAGUS","oesophagus","oesophagus","","","Esophagus","","Esophagus","oesophagus","","","","oesophagus","oesophagus","Esophagus","oesophagus","KYSE150","oesophagus","","","","esophagus","CVCL_1348","KYSE150_802_2019","KYSE-150","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000855"
-"KYSE-180","Esophagus/Stomach","KYSE-180","KYSE-180","","","KYSE-180","","KYSE-180","","KYSE-180","KYSE-180","KYSE-180","","KYSE180","KYSE-180","KYSE-180","","KYSE180_OESOPHAGUS","oesophagus","oesophagus","","","Esophagus","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","Esophagus","oesophagus","KYSE180","oesophagus","","","","esophagus","CVCL_1349","KYSE180_803_2019","KYSE-180","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000693"
-"KYSE-220","Esophagus/Stomach","","","","","","","KYSE-220","KYSE-220","","","KYSE-220","","","","KYSE-220","","","","","","","","","Esophagus","","","","","oesophagus","","","oesophagus","","","","","","","CVCL_1359","KYSE220_804_2019","KYSE-220","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-002263"
-"KYSE-270","Esophagus/Stomach","KYSE-270","KYSE-270","","","KYSE-270","","KYSE-270","","KYSE-270","KYSE-270","KYSE-270","","","KYSE-270","KYSE-270","","KYSE270_OESOPHAGUS","oesophagus","oesophagus","","","Esophagus","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","","Esophagus","oesophagus","","","","","","esophagus","CVCL_1350","KYSE270_805_2019","KYSE-270","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000873"
-"KYSE-30","Esophagus/Stomach","","KYSE-30","KYSE30","","KYSE-30","","","","KYSE-30","KYSE-30","KYSE-30","","KYSE30","KYSE-30","","","KYSE30_OESOPHAGUS","","oesophagus","esophagus","","Esophagus","","","oesophagus","","","","oesophagus","oesophagus","Esophagus","oesophagus","KYSE30","oesophagus","","","","esophagus","CVCL_1351","KYSE30_806_2019","","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000777"
-"KYSE-410","Esophagus/Stomach","KYSE-410","KYSE-410","","","","KYSE410","KYSE-410","","KYSE-410","KYSE-410","KYSE-410","","KYSE410","KYSE-410","KYSE-410","","KYSE410_OESOPHAGUS","oesophagus","oesophagus","","","","OESOPHAGUS","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","Esophagus","oesophagus","KYSE410","oesophagus","","","","esophagus","CVCL_1352","KYSE410_807_2019","KYSE-410","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000809"
-"KYSE-450","Esophagus/Stomach","KYSE-450","KYSE-450","","","KYSE-450","KYSE450","KYSE-450","","KYSE-450","KYSE-450","KYSE-450","","KYSE450","KYSE-450","KYSE-450","","","oesophagus","oesophagus","","","Esophagus","OESOPHAGUS","Esophag","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","Esophagus","oesophagus","KYSE450","oesophagus","","","","","CVCL_1353","KYSE450_808_2019","KYSE-450","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000865"
-"KYSE-50","Esophagus/Stomach","","","","","","","KYSE-50","KYSE-50","","","KYSE-50","","","","KYSE-50","","","","","","","","","Esophagus","","","","","oesophagus","","","oesophagus","","","","","","","CVCL_1360","KYSE50_809_2019","KYSE-50","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-002264"
-"KYSE-510","Esophagus/Stomach","KYSE-510","KYSE-510","","","KYSE-510","","KYSE-510","","KYSE-510","KYSE-510","KYSE-510","","KYSE510","KYSE-510","KYSE-510","","KYSE510_OESOPHAGUS","oesophagus","oesophagus","","","Esophagus","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","Esophagus","oesophagus","KYSE510","oesophagus","","","","esophagus","CVCL_1354","KYSE510_810_2019","KYSE-510","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000824"
-"KYSE-520","Esophagus/Stomach","KYSE-520","KYSE-520","","","KYSE-520","","KYSE-520","","KYSE-520","KYSE-520","KYSE-520","","KYSE520","KYSE-520","KYSE-520","","KYSE520_OESOPHAGUS","oesophagus","oesophagus","","","Esophagus","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","Esophagus","oesophagus","KYSE520","oesophagus","","","","esophagus","CVCL_1355","KYSE520_811_2019","KYSE-520","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000637"
-"KYSE-70","Esophagus/Stomach","KYSE-70","KYSE-70","","","KYSE-70","","KYSE-70","","KYSE-70","KYSE-70","KYSE-70","","KYSE70","KYSE-70","KYSE-70","","KYSE70_OESOPHAGUS","oesophagus","oesophagus","","","Esophagus","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","Esophagus","oesophagus","KYSE70","oesophagus","","","","esophagus","CVCL_1356","KYSE70_812_2019","KYSE-70","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000784"
-"Karpas-1106P","Lymphoid","","","","","KARPAS-1106P","","KARPAS-1106P","KARPAS-1106P","","","KARPAS-1106P","","","KARPAS-1106P","KARPAS-1106P","","","","","","","Lymph Node","","haematopoietic_and_lymphoid_tissue","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1821","KARPAS1106P_727_2019","KARPAS-1106P","haematopoietic_and_lymphoid_tissue","Mediastinal (thymic) large B-cell lymphoma","Cancer cell line",NA,"ACH-002254"
-"Karpas-231","Lymphoid","","","","","","","KARPAS-231","KARPAS-231","","","KARPAS-231","","","","KARPAS-231","","","","","","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1822","KARPAS231_728_2019","KARPAS-231","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-002255"
-"Karpas-299","Lymphoid","KARPAS-299","KARPAS-299","","","","","KARPAS-299","","KARPAS-299","KARPAS-299","KARPAS-299","","KARPAS299","KARPAS-299","KARPAS-299","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1324","KARPAS299_729_2019","KARPAS-299","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000053"
-"Karpas-384","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2541","Karpas-3849662021_","","","","",NA,"ACH-001097"
-"Karpas-422","Lymphoid","KARPAS-422","KARPAS-422","","","KARPAS-422","","KARPAS-422","","KARPAS-422","KARPAS-422","KARPAS-422","","KARPAS422","KARPAS-422","KARPAS-422","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1325","KARPAS422_730_2019","KARPAS-422","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000315"
-"Karpas-45","Lymphoid","KARPAS-45","","","","","","KARPAS-45","KARPAS-45","","","KARPAS-45","","","","KARPAS-45","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1326","KARPAS45_731_2019","KARPAS-45","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002256"
-"Karpas-620","Lymphoid","","KARPAS-620","","","KARPAS-620","","KARPAS-620","KARPAS-620","KARPAS-620","KARPAS-620","KARPAS-620","","KARPAS620","KARPAS-620","KARPAS-620","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1823","KARPAS620_732_2019","KARPAS-620","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000193"
-"Kasumi-1","Myeloid","KASUMI-1","KASUMI-1","","","Kasumi-1","","KASUMI-1","","KASUMI-1","KASUMI-1","KASUMI-1","","KASUMI1","Kasumi-1","KASUMI-1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","KASUMI1","blood","","","CVCL_0589","KASUMI1_733_2019","KASUMI-1","haematopoietic_and_lymphoid_tissue","Childhood acute myeloid leukemia with maturation","Cancer cell line",NA,"ACH-000263"
-"Kasumi-2","Lymphoid","","KASUMI-2","KASUMI2","","","","","","KASUMI-2","KASUMI-2","","","KASUMI2","","","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_0590","KASUMI2_734_2019","","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia with t(1","Cancer cell line",NA,"ACH-000728"
-"Kasumi-3","Myeloid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0612","Kasumi3_735_2019","","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia with minimal differentiation","Cancer cell line",NA,""
-"Kasumi-6","Myeloid","","Kasumi-6","","","","","","","Kasumi-6","Kasumi-6","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","CVCL_0614","Kasumi6_736_2019","","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000166"
-"Kelly","Peripheral Nervous System","NB19","KELLY","","","KELLY","","KELLY","","KELLY","KELLY","KELLY","","KELLY","KELLY","KELLY","","KELLY_AUTONOMIC_GANGLIA","autonomic_ganglia","autonomic_ganglia","","","Brain","","CNS","autonomic_ganglia","","","","autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","","","","","","peripheral_nervous_system","CVCL_2092","KELLY_743_2019","KELLY","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-000259"
-"Ki-JK","Lymphoid","","Ki-JK","","","","","","","Ki-JK","Ki-JK","","","KIJK","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2093","KiJK_748_2019","","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000773"
-"Ku812","Myeloid","KU812","KU812","KU812","","KU812","KU812","KU812","KU812","KU812","KU812","KU812","","KU812","KU812","KU812","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0379","KU812_795_2019","KU812","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000074"
-"Kuramochi","Ovary/Fallopian Tube","KURAMOCHI","KURAMOCHI","","","KURAMOCHI","","KURAMOCHI","","KURAMOCHI","KURAMOCHI","KURAMOCHI","","KURAMOCHI","KURAMOCHI","KURAMOCHI","","KURAMOCHI_OVARY","ovary","ovary","","","Ovary","","Ovary","ovary","urogenital_system","","","ovary","ovary","Ovary","ovary","KURAMOCHI","ovary","","","","ovary","CVCL_1345","KURAMOCHI_796_2019","KURAMOCHI","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000524"
-"L-1236","Lymphoid","","L-1236","","","","","L-1236","","L-1236","L-1236","L-1236","","L1236","","L-1236","","","","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2096","L1236_813_2019","L-1236","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000702"
-"L-363","Lymphoid","L-363","L-363","","","L-363","","L-363","","L-363","L-363","L-363","","L363","L-363","L-363","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1357","L363_814_2019","L-363","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000183"
-"L-428","Lymphoid","L-428","L-428","L428","","","","L-428","","L-428","L-428","L-428","","L428","","L-428","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1361","L428_815_2019","L-428","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000754"
-"L-540","Lymphoid","L-540","L-540","","","","","L-540","","L-540","L-540","L-540","","L540","","L-540","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1362","L540_816_2019","L-540","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000806"
-"L-82","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2098","L-829822021_","","","","",NA,"ACH-001111"
-"L3.3","Pancreas","","L3.3","","","","","","","L3","L3.3","","","L33","","","","L33_PANCREAS","","pancreas","","","","","","pancreas","","","","","pancreas","","","L33","pancreas","","","","pancreas","CVCL_8147","L3.3_817_2019","","pancreas","Pancreatic adenosquamous carcinoma","Cancer cell line",TRUE,"ACH-000685"
-"L542","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU88","L5429842021_","","","","",NA,"ACH-002351"
-"LA-N-1","Peripheral Nervous System","LAN-1","","","","","","","","","","","","","","","","","autonomic_ganglia","","","","","","","","","","","autonomic_ganglia","","","","","","","","","","","LA-N-19852021_","","autonomic_ganglia","Neuroblastoma","",NA,""
-"LA-N-2","Peripheral Nervous System","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1829","LA-N-29862021_","","","","",NA,"ACH-001354"
-"LA-N-5","Peripheral Nervous System","LAN-5","","","","","","","","","","","","","","","","","autonomic_ganglia","","","","","","","","","","","autonomic_ganglia","","","","","","","","","","","LA-N-59872021_","","autonomic_ganglia","Neuroblastoma","",NA,""
-"LA-N-6","Peripheral Nervous System","LAN-6","","","","","","LAN-6","LAN-6","","","LAN-6","","","","LAN-6","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1363","LAN6_819_2019","LAN-6","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-001355"
-"LAMA-84","Myeloid","LAMA-84","LAMA-84","","","","","LAMA-84","LAMA-84","LAMA-84","LAMA-84","LAMA-84","","LAMA84","","LAMA-84","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0388","LAMA84_818_2019","LAMA-84","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000301"
-"LB1047-EBV","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_E908","LB1047-EBV9902021_","","","","",NA,"ACH-002352"
-"LB1047-RCC","Kidney","LB1047-RCC","","","","","","LB1047-RCC","LB1047-RCC","","","LB1047-RCC","","","","LB1047-RCC","","","kidney","","","","","","kidney","","kidney","","","kidney","","","kidney","","","","","","","CVCL_1364","LB1047RCC_820_2019","LB1047-RCC","kidney","Renal cell carcinoma","Cancer cell line",TRUE,"ACH-002150"
-"LB2241-EBV","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU68","LB2241-EBV9922021_","","","","",NA,"ACH-002353"
-"LB2241-RCC","Kidney","LB2241-RCC","","","","","","LB2241-RCC","LB2241-RCC","","","LB2241-RCC","","","","LB2241-RCC","","","kidney","","","","","","Kidney","","kidney","","","kidney","","","kidney","","","","","","","CVCL_1365","LB2241RCC_821_2019","LB2241-RCC","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002151"
-"LB2518-EBV","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_E914","LB2518-EBV9942021_","","","","",NA,"ACH-002354"
-"LB2518-MEL","Skin","LB2518-MEL","","","","","","LB2518-MEL","LB2518-MEL","","","LB2518-MEL","","","","LB2518-MEL","","","skin","","","","","","skin","","skin","","","skin","","","skin","","","","","","","CVCL_1366","LB2518MEL_822_2019","LB2518-MEL","skin","Melanoma","Cancer cell line",NA,"ACH-002152"
-"LB373-EBV","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_E917","LB373-EBV9962021_","","","","",NA,"ACH-002355"
-"LB373-MEL-D","Skin","LB373-MEL-D","","","","","","LB373-MEL-D","LB373-MEL-D","","","LB373-MEL-D","","","","LB373-MEL-D","","","skin","","","","","","skin","","skin","","","skin","","","skin","","","","","","","CVCL_1367","LB373MELD_823_2019","LB373-MEL-D","skin","Melanoma","Cancer cell line",NA,"ACH-002153"
-"LB647-PBL","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU82","LB647-PBL9982021_","","","","",NA,"ACH-002356"
-"LB647-SCLC","Lung","LB647-SCLC","","","","","","LB647-SCLC","LB647-SCLC","","","LB647-SCLC","","","","LB647-SCLC","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1368","LB647SCLC_824_2019","LB647-SCLC","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-002154"
-"LB771-HNC","Head and Neck","LB771-HNC","","","","","","LB771-HNC","LB771-HNC","","","LB771-HNC","","","","LB771-HNC","","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","aero_digestive_tract","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_1369","LB771HNC_825_2019","LB771-HNC","upper_aerodigestive_tract","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-002265"
-"LB771-PBL","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU87","LB771-PBL10012021_","","","","",NA,"ACH-002357"
-"LB831-BLC","Bladder/Urinary Tract","LB831-BLC","","","","","","LB831-BLC","LB831-BLC","","","LB831-BLC","","","","LB831-BLC","","","urinary_tract","","","","","","urinary_tract","","urogenital_system","","","urinary_tract","","","urinary_tract","","","","","","","CVCL_1370","LB831BLC_826_2019","LB831-BLC","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-002266"
-"LB831-EBV","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_E913","LB831-EBV10032021_","","","","",NA,"ACH-002358"
-"LB996-EBV","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_E912","LB996-EBV10042021_","","","","",NA,"ACH-002359"
-"LB996-RCC","Kidney","LB996-RCC","","","","","","LB996-RCC","LB996-RCC","","","LB996-RCC","","","","LB996-RCC","","","kidney","","","","","","kidney","","kidney","","","kidney","","","kidney","","","","","","","CVCL_1371","LB996RCC_827_2019","LB996-RCC","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002155"
-"LC-1/sq","Lung","","","","","","","LC-1-sq","LC-1-sq","","","LC-1-sq","","","","LC-1-sq","","","","","","","","","lung","","","","","lung","","","lung","","","","","","","CVCL_3008","LC1sq_828_2019","LC-1-sq","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-002156"
-"LC-1/sq-SF","Lung","","LC-1/sq-SF","","","","LC1SQSF","","","","","","","LC1SQSF","","","","LC1SQSF_LUNG","","lung","","","","LUNG","","","","","","","lung","","","LC1SQSF","","","","","lung","CVCL_5480","LC1/sqSF_829_2019","","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-001113"
-"LC-1F","Lung","LC-1F","LC-1F","","","","","LC-1F","","LC-1F","LC-1F","","","LC1F","","","","","lung","lung","","","","","lung","lung","","","","lung","lung","","lung","","","","","","","CVCL_1372","LC1F_830_2019","","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000705"
-"LC-2/ad","Lung","LC-2-ad","","","","","","LC-2-ad","LC-2-ad","","","LC-2-ad","","","","LC-2-ad","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1373","LC2ad_831_2019","LC-2-ad","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-002157"
-"LC4-1","Lymphoid","LC4-1","","","","","","LC4-1","LC4-1","","","LC4-1","","","","LC4-1","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1374","LC41_832_2019","LC4-1","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002267"
-"LCLC-103H","Lung","LCLC-103H","LCLC-103H","","","LCLC-103H","LCLC103H","LCLC-103H","","LCLC-103H","LCLC-103H","LCLC-103H","","LCLC103H","LCLC-103H","LCLC-103H","","LCLC103H_LUNG","lung","lung","","","Lung","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","LCLC103H","lung","","","","lung","CVCL_1375","LCLC103H_833_2019","LCLC-103H","lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000627"
-"LCLC-97TM1","Lung","LCLC-97TM1","LCLC-97TM1","","","LCLC-97TM1","LCLC97TM1","LCLC-97TM1","","LCLC-97TM1","LCLC-97TM1","LCLC-97TM1","","LCLC97TM1","LCLC-97TM1","LCLC-97TM1","","","lung","lung","","","Lung","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","LCLC97TM1","lung","","","","","CVCL_1376","LCLC97TM1_834_2019","LCLC-97TM1","lung","Large cell lung carcinoma","Cancer cell line",NA,"ACH-000596"
-"LIM1215","Bowel","","","","","","","","LIM1215","","","LIM1215","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2574","LIM1215_836_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,""
-"LK-2","Lung","LK-2","LK-2","","","","","LK-2","","LK-2","LK-2","LK-2","","LK2","","LK-2","","LK2_LUNG","lung","lung","","","","","lung","lung","lung","","","lung","lung","","lung","LK2","lung","","","","lung","CVCL_1377","LK2_837_2019","LK-2","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000769"
-"LMSU","Esophagus/Stomach","","LMSU","","","","","","","LMSU","LMSU","","","LMSU","","","","LMSU_STOMACH","","stomach","","","","","","stomach","","","","","stomach","","","LMSU","stomach","","","","gastric","CVCL_4849","LMSU_838_2019","","stomach","Gastric carcinoma","Cancer cell line",TRUE,"ACH-000255"
-"LN-18","CNS/Brain","","LN-18","","","LN-18","","LN-18","","LN-18","LN-18","LN-18","","LN18","LN-18","LN-18","","LN18_CENTRAL_NERVOUS_SYSTEM","","central_nervous_system","","","Brain","","Brain","central_nervous_system","","","","central_nervous_system","central_nervous_system","Brain","central_nervous_system","LN18","central_nervous_system","","","","central_nervous_system","CVCL_0392","LN18_839_2019","LN-18","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000819"
-"LN-215","CNS/Brain","","LN-215","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","central_nervous_system","","","","","","","","","","CVCL_3954","LN215_840_2019","","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000328"
-"LN-229","CNS/Brain","","LN-229","","","LN-229","LN229","LN-229","","LN-229","LN-229","LN-229","","LN229","LN-229","LN-229","","LN229_CENTRAL_NERVOUS_SYSTEM","","central_nervous_system","","","Brain","CENTRAL_NERVOUS_SYSTEM","Brain","central_nervous_system","","","","central_nervous_system","central_nervous_system","Brain","central_nervous_system","LN229","central_nervous_system","","","","central_nervous_system","CVCL_0393","LN229_841_2019","LN-229","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000595"
-"LN-229/H.Fine","","","","","","","","","","","","","","","","","LN-229/H.Fine","","","","","","","","","","","","","","","","","","","","","CNS Cancer","","","LN-229/H.Fine10192021_","","","","",NA,""
-"LN-235","CNS/Brain","","LN-235","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","central_nervous_system","","","","","","","","","","CVCL_3957","LN235_842_2019","","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000591"
-"LN-308","CNS/Brain","","LNZ308","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","","","","","","","","","","CVCL_0394","LNZ308_852_2019","","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000760"
-"LN-319","CNS/Brain","","LN-319","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","central_nervous_system","","","","","","","","","","CVCL_3958","LN319_843_2019","","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000128"
-"LN-340","CNS/Brain","","LN-340","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","central_nervous_system","","","","","","","","","","CVCL_3955","LN340_844_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000634"
-"LN-382","CNS/Brain","","LN382","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","","","","","","","","","","CVCL_3956","LN382_849_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000215"
-"LN-405","CNS/Brain","LN-405","","","","","","LN-405","LN-405","","","LN-405","","","","LN-405","","","central_nervous_system","","","","","","Brain","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1378","LN405_845_2019","LN-405","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002268"
-"LN-428","CNS/Brain","","LN-428","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","central_nervous_system","","","","","","","","","","CVCL_3959","LN428_846_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000455"
-"LN-443","CNS/Brain","","LN-443","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","central_nervous_system","","","","","","","","","","CVCL_3960","LN443_847_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000673"
-"LN-464","CNS/Brain","","LN-464","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","central_nervous_system","","","","","","","","","","CVCL_3962","LN464_848_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000676"
-"LNCaP","Prostate","","","","","LNCAP","","","","","","","","","LNCAP","","","","","","","","Prostate","","","","","","","prostate","","","","","","","","","","CVCL_0395","LNCAP_850_2019","","prostate","Prostate carcinoma","Cancer cell line",TRUE,""
-"LNCaP clone FGC","Prostate","LNCaP-Clone-FGC","LNCaP clone FGC","LNCAP","","","","LNCaP-Clone-FGC","","LNCaP_clone_FGC","LNCaP_clone_FGC","LNCaP-Clone-FGC","","LNCAPCLONEFGC","LNCAP clone FGC","LNCaP-Clone-FGC","","LNCAPCLONEFGC_PROSTATE","prostate","prostate","prostate","","","","prostate","prostate","urogenital_system","","","prostate","prostate","Prostate","prostate","","","","","","prostate","CVCL_1379","LNCaPCloneFGC_851_2019","LNCaP-Clone-FGC","prostate","Prostate carcinoma","Cancer cell line",TRUE,"ACH-000977"
-"LNZTA3WT4","CNS/Brain","","","","","","","LNZTA3WT4","LNZTA3WT4","","","LNZTA3WT4","","","","LNZTA3WT4","","","","","","","","","Brain","","","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_3540","LNZTA3WT4_853_2019","LNZTA3WT4","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-002269"
-"LOU-NH91","Lung","","LOU-NH91","","","LOU-NH91","","LOU-NH91","","LOU-NH91","LOU-NH91","LOU-NH91","","LOUNH91","LOU-NH91","LOU-NH91","","LOUNH91_LUNG","","lung","","","Lung","","Lung:NSCLC","lung","","","","","lung","","lung","LOUNH91","lung","","","","lung","CVCL_2104","LOUNH91_854_2019","LOU-NH91","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000176"
-"LOX-IMVI","Skin","LOXIMVI","LOX IMVI","LOXIMVI","","LOX-IMVI","","LOXIMVI","","LOX_IMVI","LOX_IMVI","LOXIMVI","","LOXIMVI","LOX-IMVI","LOXIMVI","LOX IMVI///ME.LOX.IMVI","LOXIMVI_SKIN","haematopoietic_and_lymphoid_tissue","skin","skin","","Skin","","Skin","haematopoietic_and_lymphoid_tissue","skin","","","haematopoietic_and_lymphoid_tissue","skin","Skin","haematopoietic_and_lymphoid_tissue","","","","","Melanoma","skin","CVCL_1381","LOXIMVI_857_2019","LOXIMVI","haematopoietic_and_lymphoid_tissue","Amelanotic melanoma","Cancer cell line",TRUE,"ACH-000750"
-"LP-1","Lymphoid","LP-1","LP-1","","","LP-1","LP1","LP-1","","LP-1","LP-1","LP-1","","LP1","LP-1","LP-1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0012","LP1_858_2019","LP-1","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000204"
-"LPS067","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","LPS06710352021_","","","","",NA,"ACH-001807"
-"LPS141","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M823","LPS14110362021_","","","","",NA,"ACH-001799"
-"LPS27","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","LPS2710372021_","","","","",NA,"ACH-001793"
-"LPS510","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_V414","LPS51010382021_","","","","",NA,"ACH-001804"
-"LPS6","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","LPS610392021_","","","","",NA,"ACH-001791"
-"LPS853","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_V415","LPS85310402021_","","","","",NA,"ACH-001802"
-"LS","Peripheral Nervous System","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2105","LS10412021_","","","","",NA,"ACH-001548"
-"LS1034","Bowel","LS-1034","LS1034","LS1034","","LS1034","","LS-1034","","LS1034","LS1034","LS-1034","","LS1034","LS1034","LS-1034","","LS1034_LARGE_INTESTINE","large_intestine","large_intestine","colon","","Cecum","","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Unclassified","large_intestine","LS1034","large_intestine","","","","colorectal","CVCL_1382","LS1034_860_2019","LS-1034","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000252"
-"LS1034-PBL","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VV29","LS1034-PBL10432021_","","","","",NA,"ACH-002376"
-"LS123","Bowel","LS-123","LS123","","","","LS123","LS-123","","LS123","LS123","LS-123","","LS123","","LS-123","","","large_intestine","large_intestine","","","","LARGE_INTESTINE","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","","large_intestine","LS123","large_intestine","","","","","CVCL_1383","LS123_861_2019","LS-123","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000501"
-"LS174T","Bowel","LS-174T","","LS174T","","LS 174T","","","","","","","","","LS 174T","","","","large_intestine","","colon","","Colon","","","","","","","large_intestine","","","","","","","","","","CVCL_1384","LS174T_862_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,""
-"LS174T-HM7","Bowel","","","","","HM7","","","","","","","","","HM7","","","","","","","","Colon","","","","","","","","","","","","","","","","","CVCL_6670","HM7_551_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,""
-"LS180","Bowel","","LS 180","","","LS 180","LS180","LS-180","LS-180","LS_180","LS_180","LS-180","","LS180","LS-180","LS-180","","LS180_LARGE_INTESTINE","","large_intestine","","","Colon","LARGE_INTESTINE","Intestine","large_intestine","","","","","large_intestine","","large_intestine","LS180","large_intestine","","","","colorectal","CVCL_0397","LS180_859_2019","LS-180","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000957"
-"LS411N","Bowel","LS-411N","LS411N","","","","LS411N","LS-411N","","LS411N","LS411N","LS-411N","","LS411N","","LS-411N","","LS411N_LARGE_INTESTINE","large_intestine","large_intestine","","","","LARGE_INTESTINE","Intestin","large_intestine","digestive_system","","","large_intestine","large_intestine","","large_intestine","LS411N","large_intestine","","","","colorectal","CVCL_1385","LS411N_863_2019","LS-411N","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000985"
-"LS513","Bowel","LS-513","LS513","","","","LS513","LS-513","LS-513","LS513","LS513","LS-513","","LS513","","LS-513","","LS513_LARGE_INTESTINE","large_intestine","large_intestine","","","","LARGE_INTESTINE","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","","large_intestine","LS513","large_intestine","","","","colorectal","CVCL_1386","LS513_864_2019","LS-513","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000007"
-"LUDLU-1","Lung","","LUDLU-1","","","","","","","LUDLU-1","LUDLU-1","","","LUDLU1","","","","LUDLU1_LUNG","","lung","","","","","","lung","","","","lung","lung","","","LUDLU1","lung","","","","lung","CVCL_2582","LUDLU1_871_2019","","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000390"
-"LXF 289","Lung","LXF-289","LXF-289","","","LXF-289","LXF289","LXF-289","","LXF-289","LXF-289","LXF-289","","LXF289","LXF-289","LXF-289","","LXF289_LUNG","lung","lung","","","Lung","LUNG","Lung","lung","lung","","","lung","lung","Lung","lung","","","","","","lung","CVCL_1394","LXF289_872_2019","LXF-289","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000787"
-"LXFL 529L","Lung","","","","","LXFL529","","","","","","","","","LXFL529","","LXFL 529","","","","","","Lung","","","","","","","lung","","","","","","","","Non-Small Cell Lung Cancer","","CVCL_D085","LXFL529_873_2019","","lung","Non-small cell lung carcinoma","Cancer cell line",NA,""
-"LXFS 650L","","","","","","","","","","","","","","","","","LXFS 650L","","","","","","","","","","","","","","","","","","","","","Small Cell Lung Cancer","","","LXFS 650L10532021_","","","","",NA,""
-"Li-7","Liver","","Li-7","","","","","","","Li-7","Li-7","","","LI7","Li-7","","","LI7_LIVER","","liver","","","","","","liver","","","","","liver","","","LI7","liver","","","","liver","CVCL_3840","Li7_835_2019","","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000471"
-"LoVo","Bowel","LoVo","LoVo","","","LoVo","LOVO","LoVo","","LoVo","LoVo","LoVo","","LOVO","LoVo","LoVo","","LOVO_LARGE_INTESTINE","large_intestine","large_intestine","","","Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","LOVO","large_intestine","","","","colorectal","CVCL_0399","LoVo_856_2019","LoVo","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000950"
-"Loucy","Lymphoid","LOUCY","Loucy","","","","","LOUCY","","Loucy","Loucy","LOUCY","","","","LOUCY","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1380","LOUCY_855_2019","LOUCY","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000104"
-"Lu-134-A","Lung","LU-134-A","","","","","","LU-134-A","LU-134-A","","","LU-134-A","","","","LU-134-A","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1387","LU134A_865_2019","LU-134-A","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-002051"
-"Lu-135","Lung","LU-135","","","","","","LU-135","LU-135","","","LU-135","","","","LU-135","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1389","LU135_866_2019","LU-135","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-001549"
-"Lu-139","Lung","LU-139","","","","","","LU-139","LU-139","","","LU-139","","","","LU-139","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1390","LU139_867_2019","LU-139","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-002052"
-"Lu-165","Lung","LU-165","","","","","","LU-165","LU-165","","","LU-165","","","","LU-165","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1391","LU165_868_2019","LU-165","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002077"
-"Lu-65","Lung","LU-65","LU65","","","","LU65","LU-65","","LU65","LU65","LU-65","","LU65","","LU-65","","","lung","lung","","","","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","","lung","","","","","","","CVCL_1392","LU65_869_2019","LU-65","lung","Lung giant cell carcinoma","Cancer cell line",NA,"ACH-000438"
-"Lu-99","Lung","","","","","","","","","","","","","","","","","LU99_LUNG","","","","","","","","","","","","","","","","","","","","","lung","CVCL_3015","Lu-9910622021_","","","","",NA,"ACH-000444"
-"Lu-99A","Lung","LU-99A","LU99","","","","LU99","LU-99A","","LU99","LU99","LU-99A","","LU99","","LU-99A","","","lung","lung","","","","LUNG","Lung:NSCLC","lung","","","","lung","lung","","lung","LU99","lung","","","","","CVCL_1393","LU99A_870_2019","LU-99A","lung","Lung giant cell carcinoma","Cancer cell line",NA,"ACH-002158"
-"M-07e","Myeloid","","M-07e","","","","","","","M-07e","M-07e","","","M07E","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2106","M07e_875_2019","","haematopoietic_and_lymphoid_tissue","Childhood acute megakaryoblastic leukemia","Cancer cell line",NA,"ACH-000602"
-"M000921","Skin","","","","","","","M00921","","","","","","","","","","","","","","","","","Skin","","","","","","","","skin","","","","","","","CVCL_S808","M00921_876_2019","","skin","Melanoma","Cancer cell line",TRUE,"ACH-002386"
-"M040416","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","M04041610662021_","","","","",NA,"ACH-002510"
-"M059J","CNS/Brain","M059J","M059J","","","M059J","","M059J","M059J","","","M059J","","","M059J","M059J","","","central_nervous_system","","","","Brain","","central_nervous_system","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_0400","M059J_877_2019","M059J","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-001118"
-"M059K","CNS/Brain","","M059K","","","M059K","","M059K","","M059K","M059K","","","M059K","M059K","","","","","central_nervous_system","","","Brain","","Brain","central_nervous_system","","","","central_nervous_system","central_nervous_system","","central_nervous_system","M059K","central_nervous_system","","","","","CVCL_0401","M059K_878_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000152"
-"M120327_3","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VS56","M120327_310692021_","","","","",NA,"ACH-002387"
-"M14","Skin","M14","","M14","","","","M14","M14","","","M14","","","","M14","M14///ME.M14","","haematopoietic_and_lymphoid_tissue","","skin","","","","Skin","","skin","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","Melanoma","","CVCL_1395","M14_879_2019","M14","haematopoietic_and_lymphoid_tissue","Amelanotic melanoma","Cancer cell line",TRUE,"ACH-002159"
-"M140325","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","M14032510712021_","","","","",NA,"ACH-002511"
-"M19-MEL","Skin","","","","","","","","","","","","","","","","M19-MEL","","","","","","","","","","","","","","","","","","","","","Melanoma","","CVCL_B415","M19-MEL10722021_","","","Amelanotic melanoma","Cancer cell line",NA,""
-"M980513","Skin","","","","","","","M980513","","","","","","","","","","","","","","","","","Skin","","","","","","","","skin","","","","","","","CVCL_S675","M980513_880_2019","","skin","Melanoma","Cancer cell line",TRUE,"ACH-002338"
-"MA-CLS-2","Breast","","","","","","","","","","","","macls2","","","","","","","","","","","","","","","","breast","","","","","","","","","","","CVCL_4571","MACLS2_881_2019","","breast","Ductal breast carcinoma","Cancer cell line",TRUE,"ACH-002326"
-"MAXF 401NL","Breast","","","","","","","","","","","","","","","","MAXF 401","","","","","","","","","","","","","","","","","","","","","Breast Cancer","","CVCL_D131","MAXF 401NL10752021_","","","Breast carcinoma","Cancer cell line",TRUE,""
-"MB-1","Thyroid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2109","MB-110762021_","","","","",NA,"ACH-001356"
-"MB002","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU79","MB00210772021_","","","","",NA,"ACH-001201"
-"MC-1010","Myeloid","MC-1010","","","","","","","MC-1010","","","MC-1010","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1396","MC1010_884_2019","","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-002390"
-"MC/CAR","Lymphoid","MC-CAR","","MCCAR","","","","MC-CAR","MC-CAR","","","MC-CAR","","","","MC-CAR","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1397","MCCAR_885_2019","MC-CAR","haematopoietic_and_lymphoid_tissue","","Transformed cell line",NA,"ACH-002270"
-"MC116","Lymphoid","MC116","MC116","MC116","","MC116","MC116","MC116","","MC116","MC116","MC116","","MC116","MC116","MC116","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1399","MC116_887_2019","MC116","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-000583"
-"MCAS","Ovary/Fallopian Tube","","MCAS","","","MCAS","","","","MCAS","MCAS","MCAS","","MCAS","MCAS","","","MCAS_OVARY","","ovary","","","Ovary","","","ovary","","","","ovary","ovary","Ovary","ovary","MCAS","ovary","","","","ovary","CVCL_3020","MCAS_888_2019","","ovary","Ovarian mucinous cystadenocarcinoma","Cancer cell line",NA,"ACH-000796"
-"MCC13","Skin","","","","","","","","MCC13","","","MCC13","","","","","","","","","","","","","","","","","","skin","","","skin","","","","","","","CVCL_2583","MCC13_889_2019","","skin","Merkel cell carcinoma","Cancer cell line",TRUE,"ACH-001550"
-"MCC14/2","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2584","MCC14/210832021_","","","","",NA,"ACH-001551"
-"MCC26","Skin","","","","","","","","MCC26","","","MCC26","","","","","","","","","","","","","","","","","","skin","","","skin","","","","","","","CVCL_2585","MCC26_890_2019","","skin","Merkel cell carcinoma","Cancer cell line",NA,"ACH-001552"
-"MCF-10A","Breast","","","MCF10A","MCF10A","MCF 10A","","","","","","","mcf10a","","MCF10A","","","","","","breast","breast","Breast","","","","","","breast","","","","","","","","","","","CVCL_0598","MCF10A_891_2019","","breast","","Spontaneously immortalized cell line",NA,"ACH-001357"
-"MCF-10F","Breast","","","","MCF10F","","","","","","","","","","","","","","","","","breast","","","","","","","","","","","","","","","","","","CVCL_3633","MCF10F_893_2019","","breast","","Spontaneously immortalized cell line",NA,""
-"MCF-12A","Breast","","","","MCF12A","","","","","","","","mcf12a","","","","","","","","","breast","","","","","","","breast","","","","","","","","","","","CVCL_3744","MCF12A_894_2019","","breast","","Spontaneously immortalized cell line",NA,"ACH-002327"
-"MCF-7","Breast","MCF7","MCF7","MCF7","MCF7","MCF-7","MCF7","MCF7","","MCF7","MCF7","MCF7","mcf7","MCF7","MCF-7","MCF7","MCF7///BR.MCF7///MCF7/ATCC","MCF7_BREAST","breast","breast","breast","breast","Breast","BREAST","Breast","breast","breast","11-mcf7///MCF7","breast","breast","breast","Breast","breast","MCF7","breast","MCF7","breast","Breast Cancer///Breast","breast","CVCL_0031","MCF7_895_2019","MCF7","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000019"
-"MCF-7/E6","Breast","","","","","","","","","","","","","","","","MCF7-E6","","","","","","","","","","","","","","","","","","","","","Breast Cancer","","CVCL_M439","MCF-7/E610892021_","","","Invasive breast carcinoma of no special type","Cancer cell line",TRUE,""
-"MCF-7/LY2","Breast","","","","LY2","","","","","","","","ly2///mcf7ly2","","","","","","","","","breast","","","","","","13-ly2///LY2","breast","breast","","","","","","","","","","CVCL_9579","LY2_874_2019","","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-002325"
-"MCF10DCIS.com","Breast","","","","","MCF10DCIS.com","","","","","","","","","MCF10DCIS.com","","","","","","","","Breast","","","","","","","","","","","","","","","","","CVCL_5552","MCF10DCIS.com_892_2019","","breast","","Transformed cell line",NA,""
-"MDA-MB-134-VI","Breast","MDA-MB-134-VI","MDA-MB-134-VI","","MDAMB134VI","MDA-MB-134-VI","","MDA-MB-134-VI","","MDA-MB-134-VI","MDA-MB-134-VI","","mdamb134vi///mda134///mda143","","MDA-MB-134-VI","","","","breast","breast","","breast","Breast","","breast","breast","","MDA134","breast","breast","","","breast","","","","","","","CVCL_0617","MDAMB134VI_897_2019","","breast","Invasive lobular breast carcinoma","Cancer cell line",TRUE,"ACH-000044"
-"MDA-MB-157","Breast","MDA-MB-157","MB 157///MDA-MB-157","","MB157///MDAMB157","MDA-MB-157","","MDA-MB-157","","MDA-MB-157","MDA-MB-157","MDA-MB-157","mb157///mdamb157///mda157","MDAMB157","MDA-MB-157","MDA-MB-157","","","breast","breast","","breast","Breast","","Breast","breast","breast","MDA157","breast","breast","breast","Breast","breast","MDAMB157","breast","","","","","CVCL_0618","MDAMB157_898_2019","MDA-MB-157","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000621"
-"MDA-MB-175-VII","Breast","MDA-MB-175-VII","MDA-MB-175-VII","MDAMB175VII","MDAMB175VII///MDAMB175","MDA-MB-175-VII","","","","MDA-MB-175-VII","MDA-MB-175-VII","MDA-MB-175-VII","mdamb175vii///mda175vii///mda175","","MDA-MB-175-VII","MDA-MB-175-VII","","MDAMB175VII_BREAST","breast","breast","breast","breast","Breast","","","breast","breast","MDA175VII","breast","breast","","Breast","breast","","","","","","breast","CVCL_1400","MDAMB175VII_899_2019","MDA-MB-175-VII","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000759"
-"MDA-MB-231","Breast","MDA-MB-231","MDA-MB-231","MDAMB231","MDAMB231","MDA-MB-231","","MDA-MB-231","","MDA-MB-231","MDA-MB-231","MDA-MB-231","mdamb231///mda231","MDAMB231","MDA-MB-231","MDA-MB-231","MDA-MB-231/ATCC///BR.MDA.MB.231","MDAMB231_BREAST","breast","breast","breast","breast","Breast","","Breast","breast","breast","1-mda231///MDA231","breast","breast","breast","Breast","breast","MDAMB231","breast","MDAMB231","breast","Breast Cancer///Breast","breast","CVCL_0062","MDAMB231_900_2019","MDA-MB-231","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000768"
-"MDA-MB-330","Breast","","","","","MDA-MB-330","","MDA-MB-330","MDA-MB-330","","","MDA-MB-330","mdamb330///mda330","","MDA-MB-330","MDA-MB-330","","","","","","","Breast","","Breast","","","MDA330","breast","breast","","","breast","","","","","","","CVCL_0619","MDAMB330_901_2019","MDA-MB-330","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001358"
-"MDA-MB-361","Breast","MDA-MB-361","MDA-MB-361","","MDAMB361","MDA-MB-361","","MDA-MB-361","MDA-MB-361","MDA-MB-361","MDA-MB-361","MDA-MB-361","mdamb361///mda361///mda36120","MDAMB361","MDA-MB-361","MDA-MB-361","","","breast","breast","","breast","Breast","","Breast","breast","breast","MDA361","breast","breast","breast","","breast","MDAMB361","breast","","","","","CVCL_0620","MDAMB361_902_2019","MDA-MB-361","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000934"
-"MDA-MB-415","Breast","MDA-MB-415","MDA-MB-415","","MDAMB415","MDA-MB-415","","MDA-MB-415","","MDA-MB-415","MDA-MB-415","MDA-MB-415","mdamb415","MDAMB415","MDA-MB-415","MDA-MB-415","","","breast","breast","","breast","Breast","","breast","breast","breast","","breast","breast","breast","","breast","MDAMB415","breast","","","","","CVCL_0621","MDAMB415_903_2019","MDA-MB-415","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000876"
-"MDA-MB-435","Skin","MDA-MB-435","MDA-MB-435S","MDAMB435","MDAMB435","MDA-MB-435","","","","MDA-MB-435S","MDA-MB-435S","","","MDAMB435S","MDA-MB-435","","MDA-MB-435///ME.MDA.MB.435","","haematopoietic_and_lymphoid_tissue","skin","skin","haematopoietic_and_lymphoid_tissue","Skin","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","skin","","","MDAMB435S","skin","","","Melanoma","","CVCL_0417","MDAMB435_904_2019","","haematopoietic_and_lymphoid_tissue","Amelanotic melanoma","Cancer cell line",TRUE,""
-"MDA-MB-435S","Skin","","","","","","","","","","","","","","","","MDA-MB-435S","MDAMB435S_SKIN","","","","","","","","","","","","","","","","","","","","Breast Cancer","skin","CVCL_0622","MDA-MB-435S11012021_","","","","",NA,"ACH-000884"
-"MDA-MB-436","Breast","","MDA-MB-436","","MDAMB436","MDA-MB-436","","MDA-MB-436","","MDA-MB-436","MDA-MB-436","MDA-MB-436","mdamb436///mda436","","MDA-MB-436","MDA-MB-436","","MDAMB436_BREAST","","breast","","breast","Breast","","breast","breast","","7-mda436///MDA436","breast","breast","","Breast","breast","","","MDAMB436","breast","","breast","CVCL_0623","MDAMB436_905_2019","MDA-MB-436","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000573"
-"MDA-MB-453","Breast","MDA-MB-453","MDA-MB-453","MDAMB453","MDAMB453","MDA-MB-453","","MDA-MB-453","","MDA-MB-453","MDA-MB-453","MDA-MB-453","mdamb453","MDAMB453","MDA-MB-453","MDA-MB-453","","","breast","breast","breast","breast","Breast","","Breast","breast","breast","","breast","breast","breast","Breast","breast","MDAMB453","breast","MDAMB453","breast","","","CVCL_0418","MDAMB453_906_2019","MDA-MB-453","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000910"
-"MDA-MB-468","Breast","MDA-MB-468","MDA-MB-468","MDAMB468","MDAMB468","MDA-MB-468","","MDA-MB-468","","MDA-MB-468","MDA-MB-468","MDA-MB-468","mdamb468///mda468","MDAMB468","MDA-MB-468","MDA-MB-468","MDA-MB-468","MDAMB468_BREAST","breast","breast","breast","breast","Breast","","breast","breast","breast","10-mda468///MDA468","breast","breast","breast","Breast","breast","MDAMB468","breast","MDAMB468","breast","Breast Cancer","breast","CVCL_0419","MDAMB468_907_2019","MDA-MB-468","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000849"
-"MDA-PCa-2b","Prostate","","MDA PCa 2b","","","","","","","MDA_PCa_2b","MDA_PCa_2b","","","","","","","","","prostate","","","","","","prostate","","","","","","","","","","","","","","CVCL_4748","MDAPCa2b_896_2019","","prostate","Prostate carcinoma","Cancer cell line",TRUE,"ACH-000952"
-"MDST8","Bowel","","MDST8","","","MDST8","MDST8","MDST8","MDST8","MDST8","MDST8","MDST8","","MDST8","MDST8","MDST8","","","","large_intestine","","","Colon","LARGE_INTESTINE","Intestine","large_intestine","","","","large_intestine","large_intestine","","large_intestine","","","","","","","CVCL_2588","MDST8_908_2019","MDST8","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000935"
-"ME-1 [Human leukemia]","Myeloid","","ME-1","","","ME-1","","ME-1","","ME-1","ME-1","ME-1","","ME1","ME-1","ME-1","","","","haematopoietic_and_lymphoid_tissue","","","Bone Marrow","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2110","ME1_909_2019","ME-1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000439"
-"ME-180","Cervix","ME-180","","","","ME-180","","ME-180","ME-180","","","ME-180","","","ME-180","ME-180","","","cervix","","","","Cervix","","Cervix","","urogenital_system","","","cervix","","Cervix","cervix","","","","","","","CVCL_1401","ME180_910_2019","ME-180","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001359"
-"ME:MDA_N","Skin","","","","","","","","","","","","","","","","MDA-N///ME.MDA.N","","","","","","","","","","","","","","","","","","","","","Melanoma","","CVCL_1910","ME:MDA_N11092021_","","skin","","Cancer cell line",TRUE,""
-"MEC-1","Lymphoid","","MEC-1","MEC1","","","","MEC-1","","MEC-1","MEC-1","","","MEC1","","","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1870","MEC1_911_2019","","haematopoietic_and_lymphoid_tissue","Chronic lymphocytic leukemia","Cancer cell line",NA,"ACH-000405"
-"MEC-2","Lymphoid","","MEC-2","","","","","MEC-2","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","Blood","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1871","MEC2_912_2019","","haematopoietic_and_lymphoid_tissue","Chronic lymphocytic leukemia","Cancer cell line",NA,"ACH-001121"
-"MEG-01","Myeloid","MEG-01","MEG-01","MEG01","","","","MEG-01","","MEG-01","MEG-01","MEG-01","","","","MEG-01","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0425","MEG01_913_2019","MEG-01","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000072"
-"MES-SA","Uterus","MES-SA","MES-SA","MESSA","","","","MES-SA","","MES-SA","MES-SA","MES-SA","","MESSA","MES-SA","MES-SA","","MESSA_SOFT_TISSUE","endometrium","soft_tissue","uterus","","","","Uterus","endometrium","urogenital_system","","","endometrium","soft_tissue","Uterus","endometrium","MESSA","soft_tissue","","","","uterus","CVCL_1404","MESSA_916_2019","MES-SA","endometrium","Uterine corpus sarcoma","Cancer cell line",NA,"ACH-000449"
-"MET-2B","Skin","","","","","","","MET-2B","","","","","","","","","","","","","","","","","Skin","","","","","","","","skin","","","","","","","CVCL_VS57","MET2B_917_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-002388"
-"MEXF 514L","Skin","","","","","","","","","","","","","","","","MEXF 514L","","","","","","","","","","","","","","","","","","","","","Melanoma","","CVCL_D129","MEXF 514L11152021_","","","Melanoma","Cancer cell line",NA,""
-"MFE-280","Uterus","MFE-280","MFE-280","","","","","MFE-280","","MFE-280","MFE-280","MFE-280","","","","MFE-280","","MFE280_ENDOMETRIUM","endometrium","endometrium","","","","","Uterus","endometrium","urogenital_system","","","endometrium","","","endometrium","","","","","","uterus","CVCL_1405","MFE280_919_2019","MFE-280","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000192"
-"MFE-296","Uterus","MFE-296","MFE-296","","","","","MFE-296","","MFE-296","MFE-296","MFE-296","","MFE296","","MFE-296","","MFE296_ENDOMETRIUM","endometrium","endometrium","","","","","endometrium","endometrium","","","","endometrium","endometrium","","endometrium","MFE296","endometrium","","","","uterus","CVCL_1406","MFE296_920_2019","MFE-296","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000879"
-"MFE-319","Uterus","","MFE-319","","","","MFE319","MFE-319","","MFE-319","MFE-319","MFE-319","","MFE319","","MFE-319","","MFE319_ENDOMETRIUM","","endometrium","","","","ENDOMETRIUM","Uterus","endometrium","","","","endometrium","endometrium","","endometrium","MFE319","endometrium","","","","uterus","CVCL_2112","MFE319_921_2019","MFE-319","endometrium","Endometrial adenosquamous carcinoma","Cancer cell line",NA,"ACH-000988"
-"MFH-ino","Soft Tissue","MFH-ino","","","","","","MFH-ino","MFH-ino","","","MFH-ino","","","","MFH-ino","","","soft_tissue","","","","","","Misc","","soft_tissue","","","soft_tissue","","","soft_tissue","","","","","","","CVCL_1407","MFHino_922_2019","MFH-ino","soft_tissue","Undifferentiated pleomorphic sarcoma","Cancer cell line",NA,"ACH-002271"
-"MFM-223","Breast","MFM-223","","","MFM223","MFM-223","","MFM-223","MFM-223","","","MFM-223","mfm223///mfn223","","MFM-223","MFM-223","","","breast","","","breast","Breast","","Breast","","breast","MFM223///MFN223","breast","breast","","Breast","breast","","","MFM223","breast","","","CVCL_1408","MFM223_923_2019","MFM-223","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001819"
-"MG-63","Bone","MG-63","MG-63","MG63","","MG-63","","MG-63","","MG-63","MG-63","MG-63","","MG63","MG-63","MG-63","","MG63_BONE","bone","bone","bone","","Bone","","Bone","bone","bone","","","bone","bone","Bone","bone","MG63","bone","","","","bone","CVCL_0426","MG63_924_2019","MG-63","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000359"
-"MHH-CALL-2","Lymphoid","MHH-CALL-2","MHH-CALL-2","","","","","MHH-CALL-2","","MHH-CALL-2","MHH-CALL-2","MHH-CALL-2","","","","MHH-CALL-2","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1409","MHHCALL2_925_2019","MHH-CALL-2","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000020"
-"MHH-CALL-3","Lymphoid","","MHH-CALL-3","","","","","","","MHH-CALL-3","MHH-CALL-3","","","MHHCALL3","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_0089","MHHCALL3_926_2019","","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000032"
-"MHH-CALL-4","Lymphoid","MHH-CALL-4","MHH-CALL-4","","","","","MHH-CALL-4","","MHH-CALL-4","MHH-CALL-4","MHH-CALL-4","","MHHCALL4","","MHH-CALL-4","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1410","MHHCALL4_927_2019","MHH-CALL-4","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000156"
-"MHH-ES-1","Bone","MHH-ES-1","MHH-ES-1","","","MHH-ES-1","","","","MHH-ES-1","MHH-ES-1","MHH-ES-1","","MHHES1","MHH-ES-1","MHH-ES-1","","MHHES1_BONE","bone","bone","","","Bone","","","bone","bone","","","bone","bone","Bone","bone","MHHES1","bone","","","","bone","CVCL_1411","MHHES1_928_2019","MHH-ES-1","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-000391"
-"MHH-NB-11","Peripheral Nervous System","MHH-NB-11","MHH-NB-11","","","MHH-NB-11","","MHH-NB-11","","MHH-NB-11","MHH-NB-11","MHH-NB-11","","MHHNB11","MHH-NB-11","MHH-NB-11","","","autonomic_ganglia","autonomic_ganglia","","","Brain","","autonomic_ganglia","autonomic_ganglia","nervous_system","","","autonomic_ganglia","autonomic_ganglia","","autonomic_ganglia","MHHNB11","autonomic_ganglia","","","","","CVCL_1412","MHHNB11_929_2019","MHH-NB-11","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000078"
-"MHH-PREB-1","Lymphoid","MHH-PREB-1","","MHHPREB1","","MHH-PREB-1","","MHH-PREB-1","MHH-PREB-1","","","MHH-PREB-1","","","MHH-PREB-1","MHH-PREB-1","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","Lymph Node","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1413","MHHPREB1_930_2019","MHH-PREB-1","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-002272"
-"MHM","Bone","","","","","","","","MHM","","","","","","","","","","","","","","","","","","","","","","","","bone","","","","","","","CVCL_B426","MHM11282021_","","bone","Osteosarcoma","Cancer cell line",NA,""
-"MIA PaCa-2","Pancreas","MIA-PaCa-2","MIA PaCa-2","MIAPACA2","","MIA Paca-2","","MIA-PaCa-2","","MIA_PaCa-2","MIA_PaCa-2","MIA-PaCa-2","","MIAPACA2","MIA Paca-2","MIA-PaCa-2","","MIAPACA2_PANCREAS","pancreas","pancreas","pancreas","","Pancreas","","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","MIAPaCa2","pancreas","","","","pancreas","CVCL_0428","MIAPaCa2_931_2019","MIA-PaCa-2","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000601"
-"MJ","Lymphoid","MJ","MJ","MJ","","","","","","MJ","MJ","","","MJ","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_1414","MJ_933_2019","","haematopoietic_and_lymphoid_tissue","Cutaneous T-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-000077"
-"MKL-1","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2600","MKL-111312021_","","","","",NA,"ACH-001122"
-"MKL-1 subclone 2","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_EQ71","MKL1subclone2_934_2019","","skin","Merkel cell carcinoma","Cancer cell line",TRUE,""
-"MKL-2","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_D027","MKL2_935_2019","","skin","Merkel cell carcinoma","Cancer cell line",NA,"ACH-001123"
-"MKN1","Esophagus/Stomach","MKN1","MKN1","","","MKN-1","","MKN1","","MKN1","MKN1","MKN1","","MKN1","MKN-1","MKN1","","MKN1_STOMACH","stomach","stomach","","","Stomach","","Stomach","stomach","digestive_system","","","stomach","stomach","Stomach","stomach","","","","","","gastric","CVCL_1415","MKN1_936_2019","MKN1","stomach","Gastric adenosquamous carcinoma","Cancer cell line",TRUE,"ACH-000351"
-"MKN28","Esophagus/Stomach","MKN28","","","","","","MKN28","MKN28","","","MKN28","","","","MKN28","","","stomach","","","","","","Stomach","","digestive_system","","","stomach","","","stomach","","","","","","","CVCL_1416","MKN28_937_2019","MKN28","stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-002161"
-"MKN45","Esophagus/Stomach","MKN45","MKN-45","","","MKN-45","","MKN45","","MKN-45","MKN-45","MKN45","","MKN45","MKN-45","MKN45","","MKN45_STOMACH","stomach","stomach","","","Stomach","","Stomach","stomach","digestive_system","","","stomach","stomach","Stomach","stomach","MKN45","stomach","","","","gastric","CVCL_0434","MKN45_938_2019","MKN45","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000356"
-"MKN7","Esophagus/Stomach","MKN7","MKN7","","","MKN-7","MKN7","MKN7","","MKN7","MKN7","MKN7","","MKN7","MKN-7","MKN7","","MKN7_STOMACH","stomach","stomach","","","Stomach","STOMACH","Stomach","stomach","digestive_system","","","stomach","stomach","","stomach","MKN7","stomach","","","","gastric","CVCL_1417","MKN7_939_2019","MKN7","stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-000678"
-"MKN74","Esophagus/Stomach","","MKN74","","","MKN-74","MKN74","","","MKN74","MKN74","","","MKN74","MKN-74","","","MKN74_STOMACH","","stomach","","","Stomach","STOMACH","","stomach","","","","stomach","stomach","Stomach","","MKN74","stomach","","","","gastric","CVCL_2791","MKN74_940_2019","","stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-000758"
-"ML-1 [Human thyroid carcinoma]","Thyroid","","ML-1","","","","","ML-1","","ML-1","ML-1","ML-1","","ML1","","ML-1","","","","thyroid","","","","","Thyroid","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","thyroid","","haematopoietic_and_lymphoid_tissue","ML1","thyroid","","","","","CVCL_H525","ML1_941_2019","ML-1","haematopoietic_and_lymphoid_tissue","Thyroid gland follicular carcinoma","Cancer cell line",NA,"ACH-000058"
-"ML-2","Myeloid","ML-2","","ML2","","ML-2","","ML-2","ML-2","","","ML-2","","","ML-2","ML-2","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","Bone Marrow","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","Bone Marrow","haematopoietic_and_lymphoid_tissue","","","ML2","blood","","","CVCL_1418","ML2_942_2019","ML-2","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-002273"
-"MLI-019","","","","","","","","","","","","","","","","","MLI-019","","","","","","","","","","","","","","","","","","","","","Non-Small Cell Lung Cancer","","","MLI-01911412021_","","","","",NA,""
-"MLI-045","","","","","","","","","","","","","","","","","MLI-045","","","","","","","","","","","","","","","","","","","","","Non-Small Cell Lung Cancer","","","MLI-04511422021_","","","","",NA,""
-"MLI-059","","","","","","","","","","","","","","","","","MLI-059","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","MLI-05911432021_","","","","",NA,""
-"MLI-076","","","","","","","","","","","","","","","","","MLI-076","","","","","","","","","","","","","","","","","","","","","Non-Small Cell Lung Cancer","","","MLI-07611442021_","","","","",NA,""
-"MLMA","Lymphoid","MLMA","","","","","","MLMA","MLMA","","","MLMA","","","","MLMA","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1419","MLMA_943_2019","MLMA","haematopoietic_and_lymphoid_tissue","Hairy cell leukemia","Cancer cell line",NA,"ACH-002274"
-"MM1.S","Lymphoid","","MM1-S","","","MM.1S","","MM1S","","MM1-S","MM1-S","MM1S","","MM1S","MM.1S","MM1S","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_8792","MM1S_944_2019","MM1S","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000763"
-"MM127","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2601","MM12711472021_","","","","",NA,"ACH-001563"
-"MM1610113","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","MM161011311482021_","","","","",NA,"ACH-002512"
-"MM253","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2604","MM25311492021_","","","","",NA,"ACH-001970"
-"MM370","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2605","MM37011502021_","","","","",NA,"ACH-001566"
-"MM383","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2606","MM38311512021_","","","","",NA,"ACH-001567"
-"MM386","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2607","MM38611522021_","","","","",NA,"ACH-001568"
-"MM415","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2608","MM41511532021_","","","","",NA,"ACH-001569"
-"MM426","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2609","MM42611542021_","","","","",NA,"ACH-001570"
-"MM485","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2610","MM48511552021_","","","","",NA,"ACH-001973"
-"MMAc-SF","Skin","MMAC-SF","","","","","","MMAC-SF","MMAC-SF","","","MMAC-SF///MMAc-SF","","","","MMAC-SF","","","skin","","","","","","Skin","","skin","","","skin","","","skin","","","","","","","CVCL_1420","MMACSF_945_2019","MMAC-SF","skin","Melanoma","Cancer cell line",NA,"ACH-002162"
-"MN-60","Lymphoid","MN-60","","","","","","MN-60","MN-60","","","MN-60","","","","MN-60","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1421","MN60_946_2019","MN-60","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-002275"
-"MOG-G-CCM","CNS/Brain","MOG-G-CCM","MOG-G-CCM","","","","","MOG-G-CCM","MOG-G-CCM","","","MOG-G-CCM","","","","MOG-G-CCM","","","central_nervous_system","central_nervous_system","","","","","central_nervous_system","","","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_2613","MOGGCCM_948_2019","MOG-G-CCM","central_nervous_system","Anaplastic astrocytoma","Cancer cell line",NA,"ACH-001125"
-"MOG-G-UVW","CNS/Brain","MOG-G-UVW","MOG-G-UVW","","","","","MOG-G-UVW","MOG-G-UVW","","","MOG-G-UVW","","","","MOG-G-UVW","","","central_nervous_system","central_nervous_system","","","","","central_nervous_system","","","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_2614","MOGGUVW_949_2019","MOG-G-UVW","central_nervous_system","Anaplastic astrocytoma","Cancer cell line",NA,"ACH-001126"
-"MOLM-1","Myeloid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2118","MOLM-111602021_","","","","",NA,"ACH-001573"
-"MOLM-13","Myeloid","","MOLM-13","","","","","MOLM-13","","MOLM-13","MOLM-13","MOLM-13","","MOLM13","MOLM-13","MOLM-13","","","","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2119","MOLM13_950_2019","MOLM-13","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000362"
-"MOLM-14","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_7916","MOLM-1411622021_","","","","",NA,"ACH-001574"
-"MOLM-16","Myeloid","","MOLM-16","","","MOLM-16","MOLM16","MOLM-16","","MOLM-16","MOLM-16","MOLM-16","","MOLM16","MOLM-16","MOLM-16","","","","haematopoietic_and_lymphoid_tissue","","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2120","MOLM16_951_2019","MOLM-16","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000369"
-"MOLM-6","Myeloid","","MOLM-6","","","","","","","MOLM-6","MOLM-6","","","MOLM6","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2122","MOLM6_952_2019","","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000321"
-"MOLP-2","Lymphoid","","MOLP-2","","","MOLP-2","","","","MOLP-2","MOLP-2","","","MOLP2","MOLP-2","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2123","MOLP2_953_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000453"
-"MOLP-8","Lymphoid","","MOLP-8","","","MOLP-8","","MOLP-8","","MOLP-8","MOLP-8","MOLP-8","","MOLP8","MOLP-8","MOLP-8","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2124","MOLP8_954_2019","MOLP-8","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000745"
-"MOLT-13","Lymphoid","MOLT-13","MOLT-13","","","","","MOLT-13","","MOLT-13","MOLT-13","MOLT-13","","MOLT13","","MOLT-13","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1422","MOLT13_955_2019","MOLT-13","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000795"
-"MOLT-16","Lymphoid","MOLT-16","MOLT-16","MOLT16","","","","MOLT-16","","MOLT-16","MOLT-16","MOLT-16","","MOLT16","","MOLT-16","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1424","MOLT16_956_2019","MOLT-16","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000918"
-"MOLT-3","Lymphoid","","MOLT-3","","","","","","","MOLT-3","MOLT-3","","","MOLT3","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_0624","MOLT3_957_2019","","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000964"
-"MOLT-4","Lymphoid","MOLT-4","MOLT-4","MOLT4","","","","MOLT-4","MOLT-4","","","MOLT-4","","","","MOLT-4","MOLT-4///LE.MOLT.4","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","Leukemia","","CVCL_0013","MOLT4_958_2019","MOLT-4","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-001127"
-"MON","Other","","MON","","","","","","","","","","","","","","","MON_SOFT_TISSUE","","soft_tissue","","","","","","","","","","","","","","","","","","","rhabdoid","CVCL_M846","MON11712021_","","soft_tissue","","Cancer cell line",NA,"ACH-001128"
-"MOR","Lung","","","","","MOR","","","","","","","","","MOR","","","","","","","","Lung","","","","","","","","","","","","","","","","","CVCL_2618","MOR_961_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,""
-"MOR/CPR","Lung","","MOR/CPR","","","","","","","MOR_CPR","MOR_CPR","","","MORCPR","","","","","","lung","","","","","","lung","","","","","lung","","","MORCPR","lung","","","","","CVCL_2620","MOR/CPR_962_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000851"
-"MOTN-1","Lymphoid","","MOTN-1","","","","","","","","","","","MOTN1","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2127","MOTN1_963_2019","","haematopoietic_and_lymphoid_tissue","T-cell large granular lymphocyte leukemia","Cancer cell line",NA,"ACH-001130"
-"MP46","Eye","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_4D13","MP4611752021_","","","","",NA,"ACH-002011"
-"MPP 89","Pleura","MPP-89","MPP 89","","","","","MPP-89","","MPP_89","MPP_89","MPP-89","","MPP89","","MPP-89","","MPP89_PLEURA","pleura","pleura","","","","","Lung","pleura","lung","","","pleura","pleura","","pleura","MPP89","pleura","","","","mesothelioma","CVCL_1427","MPP89_964_2019","MPP-89","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000319"
-"MRK-nu-1","Breast","MRK-nu-1","","","","","","MRK-nu-1","MRK-nu-1","","","MRK-nu-1","","","","MRK-nu-1","","","breast","","","","","","Breast","","breast","","","breast","","","breast","","","","","","","CVCL_1428","MRKnu1_965_2019","MRK-nu-1","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-002163"
-"MS-1 [Human Merkel cell carcinoma]","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_E995","MS-1 [Human Merkel cell carcinoma]11782021_","","","","",NA,"ACH-001131"
-"MS-1 [Human lung carcinoma]","Lung","MS-1","","","","","","MS-1","MS-1","","","MS-1","","","","MS-1","","","lung","","","","","","Lung","","","","","lung","","","lung","","","","","","","CVCL_1429","MS1_966_2019","MS-1","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001958"
-"MS751","Cervix","","","","","MS751","","MS751","MS751","","","MS751","","","MS751","MS751","","","","","","","Cervix","","Cervix","","","","","cervix","","","cervix","","","","","","","CVCL_4996","MS751_967_2019","MS751","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001360"
-"MSTO-211H","Pleura","MSTO-211H","MSTO-211H","","","","MSTO211H","MSTO-211H","","MSTO-211H","MSTO-211H","MSTO-211H","","MSTO211H","","MSTO-211H","","MSTO211H_PLEURA","pleura","pleura","","","","PLEURA","pleura","pleura","lung","","","pleura","pleura","","pleura","","","","","","mesothelioma","CVCL_1430","MSTO211H_968_2019","MSTO-211H","pleura","Pleural biphasic mesothelioma","Cancer cell line",NA,"ACH-000335"
-"MT-3 [Human contaminated breast cancer]","Bowel","","","MT3","MT3","MT-3","","","","","","","","","MT3","","","","","","breast","breast","Breast","","","","","","","","","","","","","","","","","CVCL_2129","MT3_969_2019","","breast","Colon adenocarcinoma","Cancer cell line",NA,""
-"MTA","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3032","MTA11832021_","","","","",NA,"ACH-001132"
-"MUG-Chor1","Bone","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_9277","MUG-Chor111842021_","","","","",NA,"ACH-001956"
-"MUTZ-1","Lymphoid","MUTZ-1","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","MUTZ-111852021_","","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","",NA,""
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-"NCI-H2731","Pleura","","","","","","","H2731","H2731","","","H2731///NCI-H2731","","","","H2731","","","","","","","","","Lung","","","","","","","","lung","","","","","","","CVCL_U995","H2731_426_2019","H2731","lung","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,"ACH-002129"
-"NCI-H2795","Pleura","","","","","NCI-H2795","","H2795","H2795","","","H2795///NCI-H2795","","","NCI-H2795","H2795","","","","","","","Lung","","Lung","","","","","pleura","","","pleura","","","","","","","CVCL_U996","H2795_427_2019","H2795","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-002130"
-"NCI-H28","Pleura","NCI-H28","NCI-H28","","","NCI-H28","NCIH28","NCI-H28","","NCI-H28","NCI-H28","NCI-H28","","NCIH28","NCI-H28","NCI-H28","","NCIH28_PLEURA","pleura","pleura","","","Pleura","PLEURA","Lung","pleura","lung","","","pleura","pleura","Lung","pleura","","","","","","mesothelioma","CVCL_1555","NCIH28_1099_2019","NCI-H28","pleura","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,"ACH-000648"
-"NCI-H2803","Pleura","","","","","NCI-H2803","","H2803","H2803","","","H2803///NCI-H2803","","","NCI-H2803","H2803","","","","","","","Lung","","Lung","","","","","pleura","","","pleura","","","","","","","CVCL_U997","H2803_428_2019","H2803","pleura","Pleural malignant mesothelioma","Cancer cell line",NA,"ACH-002131"
-"NCI-H2804","Pleura","","","","","NCI-H2804","","H2804","H2804","","","H2804///NCI-H2804","","","NCI-H2804","H2804","","","","","","","Lung","","Lung","","","","","pleura","","","pleura","","","","","","","CVCL_U998","H2804_429_2019","H2804","pleura","Pleural malignant mesothelioma","Cancer cell line",NA,"ACH-002132"
-"NCI-H2810","Pleura","","","","","NCI-H2810","","H2810","H2810","","","H2810///NCI-H2810","","","NCI-H2810","H2810","","","","","","","Lung","","Lung","","","","","","","","lung","","","","","","","CVCL_U999","H2810_430_2019","H2810","lung","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-002133"
-"NCI-H2818","Pleura","","","","","","","H2818","H2818","","","H2818///NCI-H2818","","","","H2818","","","","","","","","","Lung","","","","","pleura","","","pleura","","","","","","","CVCL_V000","H2818_431_2019","H2818","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-002134"
-"NCI-H2869","Pleura","","","","","","","H2869","H2869","","","H2869///NCI-H2869","","","","H2869","","","","","","","","","Lung","","","","","pleura","","","pleura","","","","","","","CVCL_V001","H2869_432_2019","H2869","pleura","Pleural biphasic mesothelioma","Cancer cell line",NA,"ACH-002135"
-"NCI-H2882","Lung","","NCIH2882","","","","","","","","","","","","","","","","","lung","","","","","","","","","","","","","","","","","","","","CVCL_5158","NCI-H288213822021_","","lung","","Cancer cell line",NA,"ACH-000700"
-"NCI-H2887","Lung","","NCI-H2887","","","","","","","","","","","","","","","","","lung","","","","","","","","","","","","","","","","","","","","CVCL_5159","NCI-H288713832021_","","lung","","Cancer cell line",NA,"ACH-000251"
-"NCI-H290","Pleura","","","","","","","H290","H290","","","H290///NCI-H290","","","","H290","","","","","","","","","Lung","","","","","pleura","","","pleura","","","","","","","CVCL_A555","H290_433_2019","H290","pleura","Pleural malignant mesothelioma","Cancer cell line",NA,"ACH-002136"
-"NCI-H292","Lung","NCI-H292","NCI-H292","NCIH292","","NCI-H292","","NCI-H292","","NCI-H292","NCI-H292","NCI-H292","","H292","NCI-H292","NCI-H292","","NCIH292_LUNG","lung","lung","lung","","Lung","","lung","lung","","","","lung","lung","Lung","lung","NCIH292","lung","","","","lung","CVCL_0455","NCIH292_1103_2019","NCI-H292","lung","Lung mucoepidermoid carcinoma","Cancer cell line",NA,"ACH-001075"
-"NCI-H295","Adrenal Gland","NCI-H295","","NCIH295R","","","","","","","","","","","","","","","adrenal_gland","","brain","","","","","","","","","adrenal_gland","","","","","","","","","","","NCI-H29513862021_","","adrenal_gland","Adrenal cortex carcinoma","",NA,""
-"NCI-H3118","Head and Neck","","","","","","","H3118","H3118","","","H3118///NCI-H3118","","","","H3118","","","","","","","","","Head & Neck","","","","","salivary_gland","","","salivary_gland","","","","","","","CVCL_A464","H3118_434_2019","H3118","salivary_gland","Parotid gland mucoepidermoid carcinoma","Cancer cell line",NA,"ACH-002239"
-"NCI-H3122","Lung","","NCI-H3122","","","","","NCI-H3122","NCI-H3122","","","NCI-H3122","","","","NCI-H3122","","","","","","","","","Lung","","","","","lung","","","lung","","","","","","","CVCL_5160","NCIH3122_1104_2019","NCI-H3122","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000337"
-"NCI-H322","Lung","","NCI-H322","NCIH322","","H322T///NCI-H322T","","","","NCI-H322","NCI-H322","","","NCIH322","H322T///NCI-H322T","","","NCIH322_LUNG","","lung","lung","","Lung","","","lung","","","","lung","lung","","","NCIH322","lung","","","","lung","CVCL_1556","H322T_435_2019","","lung","Minimally invasive lung adenocarcinoma","Cancer cell line",NA,"ACH-000837"
-"NCI-H322M","Lung","NCI-H322M","","","","","","NCI-H322M","","","","NCI-H322M","","","","NCI-H322M","NCI-H322M///LC.NCI.H322M","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","Non-Small Cell Lung Cancer///Non-Small Cell Lung","","CVCL_1557","NCIH322M_1106_2019","NCI-H322M","lung","Minimally invasive lung adenocarcinoma","Cancer cell line",NA,"ACH-002172"
-"NCI-H3255","Lung","","NCI-H3255","","","","NCIH3255","H3255","","NCI-H3255","NCI-H3255","H3255","","","","H3255","","","","lung","","","","LUNG","Lung","lung","","","","lung","","","lung","","","","","","","CVCL_6831","H3255_436_2019","H3255","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000109"
-"NCI-H345","Lung","NCI-H345","","","","NCI-H345","","NCI-H345","NCI-H345","","","NCI-H345","","","NCI-H345","NCI-H345","","","lung","","","","Lung","","lung","","lung","","","lung","","","lung","","","","","","","CVCL_1558","NCIH345_1109_2019","NCI-H345","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001364"
-"NCI-H358","Lung","NCI-H358","NCI-H358","NCIH358","","NCI-H358","NCIH358","NCI-H358","","NCI-H358","NCI-H358","NCI-H358","","NCIH358","NCI-H358","NCI-H358","","NCIH358_LUNG","lung","lung","lung","","Lung","LUNG","Lung","lung","","","","lung","lung","Lung","lung","NCIH358","lung","","","","lung","CVCL_1559","NCIH358_1110_2019","NCI-H358","lung","Minimally invasive lung adenocarcinoma","Cancer cell line",NA,"ACH-000860"
-"NCI-H378","Lung","NCI-H378","","","","","","NCI-H378","NCI-H378","","","NCI-H378","","","","NCI-H378","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1560","NCIH378_1111_2019","NCI-H378","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002173"
-"NCI-H441","Lung","NCI-H441","NCI-H441","NCIH441","","NCI-H441","NCIH441","NCI-H441","","NCI-H441","NCI-H441","NCI-H441","","NCIH441","NCI-H441","NCI-H441","","","lung","lung","lung","","Lung","LUNG","Lung","lung","lung","","","lung","lung","Lung","lung","","","","","","","CVCL_1561","NCIH441_1112_2019","NCI-H441","lung","Papillary lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000638"
-"NCI-H446","Lung","NCI-H446","NCI-H446","NCIH446","","NCI-H446","","NCI-H446","","NCI-H446","NCI-H446","NCI-H446","","NCIH446","NCI-H446","NCI-H446","","NCIH446_LUNG","lung","lung","lung","","Lung","","lung","lung","lung","","","lung","lung","Lung","lung","NCIH446","lung","","","","lung","CVCL_1562","NCIH446_1113_2019","NCI-H446","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000800"
-"NCI-H460","Lung","NCI-H460","NCI-H460","NCIH460","","NCI-H460","NCIH460","","","NCI-H460","NCI-H460","NCI-H460","","NCIH460","NCI-H460","NCI-H460","NCI-H460///LC.NCI.H460","NCIH460_LUNG","lung","lung","lung","","Lung","LUNG","","lung","lung","","","lung","lung","Lung","lung","","","","","Non-Small Cell Lung Cancer///Non-Small Cell Lung","lung","CVCL_0459","NCIH460_1114_2019","NCI-H460","lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000463"
-"NCI-H508","Bowel","NCI-H508","NCI-H508","NCIH508","","","NCIH508","","","NCI-H508","NCI-H508","NCI-H508","","NCIH508","","NCI-H508","","","large_intestine","large_intestine","colon","","","LARGE_INTESTINE","","large_intestine","","","","large_intestine","large_intestine","","large_intestine","NCIH508","large_intestine","","","","","CVCL_1564","NCIH508_1115_2019","NCI-H508","large_intestine","Cecum adenocarcinoma","Cancer cell line",TRUE,"ACH-000360"
-"NCI-H510A","Lung","NCI-H510A","NCI-H510","","","NCI-H510A","","NCI-H510A","NCI-H510A","NCI-H510","NCI-H510","NCI-H510A","","NCIH510","NCI-H510A","NCI-H510A","","","lung","lung","","","Lung","","Lung","lung","lung","","","lung","lung","","lung","","","","","","","CVCL_1565","NCIH510A_1116_2019","NCI-H510A","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000871"
-"NCI-H513","Lung","","","","","","","H513","H513","","","H513///NCI-H513","","","","H513","","","","","","","","","Lung","","","","","pleura","","","pleura","","","","","","","CVCL_A570","H513_438_2019","H513","pleura","Adenosquamous lung carcinoma","Cancer cell line",NA,"ACH-002138"
-"NCI-H520","Lung","NCI-H520","NCI-H520","NCIH520","","NCI-H520","","NCI-H520","","NCI-H520","NCI-H520","NCI-H520","","NCIH520","NCI-H520","NCI-H520","","NCIH520_LUNG","lung","lung","lung","","Lung","","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","NCIH520","lung","","","","lung","CVCL_1566","NCIH520_1117_2019","NCI-H520","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000395"
-"NCI-H522","Lung","NCI-H522","NCI-H522","NCIH522","","NCI-H522","NCIH522","NCI-H522","","NCI-H522","NCI-H522","NCI-H522","","NCIH522","NCI-H522","NCI-H522","NCI-H522///LC.NCI.H522","NCIH522_LUNG","lung","lung","lung","","Lung","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","NCIH522","lung","","","Non-Small Cell Lung Cancer///Non-Small Cell Lung","lung","CVCL_1567","NCIH522_1118_2019","NCI-H522","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000343"
-"NCI-H524","Lung","NCI-H524","NCI-H524","NCIH524","","","","NCI-H524","","NCI-H524","NCI-H524","NCI-H524","","NCIH524","NCI-H524","NCI-H524","","","lung","lung","lung","","","","lung","lung","lung","","","lung","lung","","lung","","","","","","","CVCL_1568","NCIH524_1119_2019","NCI-H524","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000816"
-"NCI-H526","Lung","NCI-H526","NCI-H526","NCIH526","","","","NCI-H526","","NCI-H526","NCI-H526","NCI-H526","","NCIH526","NCI-H526","NCI-H526","","","lung","lung","lung","","","","Lung","lung","lung","","","lung","lung","","lung","","","","","","","CVCL_1569","NCIH526_1120_2019","NCI-H526","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000767"
-"NCI-H596","Lung","NCI-H596","NCI-H596","NCIH596","","NCI-H596","NCIH596","NCI-H596","","NCI-H596","NCI-H596","NCI-H596","","","NCI-H596","NCI-H596","","NCIH596_LUNG","lung","lung","lung","","Lung","LUNG","Lung:NSCLC","lung","lung","","","lung","","","lung","","","","","","lung","CVCL_1571","NCIH596_1121_2019","NCI-H596","lung","Adenosquamous lung carcinoma","Cancer cell line",NA,"ACH-000628"
-"NCI-H630","Other","NCI-H630","","NCIH630","","","","NCI-H630","NCI-H630","","","NCI-H630","","","","NCI-H630","","","large_intestine","","rectum","","","","Intestine","","digestive_system","","","large_intestine","","","large_intestine","","","","","","","CVCL_1572","NCIH630_1122_2019","NCI-H630","large_intestine","","Undefined cell line type",NA,"ACH-002287"
-"NCI-H64","Lung","NCI-H64","","","","","","NCI-H64","NCI-H64","","","NCI-H64","","","","NCI-H64","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1573","NCIH64_1123_2019","NCI-H64","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001599"
-"NCI-H647","Lung","","NCI-H647","","","","","NCI-H647","","NCI-H647","NCI-H647","NCI-H647","","NCIH647","NCI-H647","NCI-H647","","","","lung","","","","","Lung","lung","","","","lung","lung","Lung","lung","","","","","","","CVCL_1574","NCIH647_1124_2019","NCI-H647","lung","Adenosquamous lung carcinoma","Cancer cell line",NA,"ACH-000378"
-"NCI-H650","Lung","NCI-H650","NCI-H650","NCIH650","","NCI-H650","NCIH650","NCI-H650","","NCI-H650","NCI-H650","NCI-H650","","NCIH650","NCI-H650","NCI-H650","","NCIH650_LUNG","lung","lung","lung","","Lung","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","NCIH650","lung","","","","lung","CVCL_1575","NCIH650_1125_2019","NCI-H650","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000945"
-"NCI-H660","Prostate","","NCI-H660","NCIH660","","","","NCI-H660","","NCI-H660","NCI-H660","NCI-H660","","NCIH660","","NCI-H660","","","","prostate","prostate","","","","Prostate","prostate","","","","prostate","prostate","","prostate","","","","","","","CVCL_1576","NCIH660_1126_2019","NCI-H660","prostate","Prostate small cell carcinoma","Cancer cell line",TRUE,"ACH-000177"
-"NCI-H661","Lung","NCI-H661","NCI-H661","NCIH661","","","NCIH661","NCI-H661","NCI-H661","NCI-H661","NCI-H661","NCI-H661","","NCIH661","NCI-H661","NCI-H661","","NCIH661_LUNG","lung","lung","lung","","","LUNG","Lung","lung","lung","","","lung","lung","Lung","lung","NCIH661","lung","","","","lung","CVCL_1577","NCIH661_1127_2019","NCI-H661","lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000853"
-"NCI-H684","Bowel","","NCI-H684","","","","","","","NCI-H684","NCI-H684","","","","","","","","","liver","","","","","","liver","","","","","","","","","","","","","","CVCL_9980","NCIH684_1128_2019","","liver","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000089"
-"NCI-H69","Lung","NCI-H69","NCI-H69","NCIH69","","","","NCI-H69","","NCI-H69","NCI-H69","NCI-H69","","NCIH69","","NCI-H69","","","lung","lung","lung","","","","Lung","lung","lung","","","lung","lung","","lung","NCIH69","lung","","","","","CVCL_1579","NCIH69_1129_2019","NCI-H69","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000358"
-"NCI-H716","Bowel","NCI-H716","NCI-H716","NCIH716","","NCI-H716","","NCI-H716","","NCI-H716","NCI-H716","NCI-H716","","NCIH716","NCI-H716","NCI-H716","","","large_intestine","large_intestine","colon","","Cecum","","large_intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Unclassified","large_intestine","","","","","","","CVCL_1581","NCIH716_1130_2019","NCI-H716","large_intestine","Cecum adenocarcinoma","Cancer cell line",TRUE,"ACH-000491"
-"NCI-H719","Lung","NCI-H719","","","","","","","","","","","","","","","","","lung","","","","","","","","","","","lung","","","lung","","","","","","","CVCL_1582","NCIH719_1131_2019","","lung","Small cell lung carcinoma","Cancer cell line",TRUE,""
-"NCI-H720","Lung","NCI-H720","","NCIH720","","","","NCI-H720","NCI-H720","","","NCI-H720","","","","NCI-H720","","","lung","","lung","","","","lung","","","","","lung","","","lung","","","","","","","CVCL_1583","NCIH720_1132_2019","NCI-H720","lung","Lung carcinoid tumor","Cancer cell line",NA,"ACH-002174"
-"NCI-H727","Lung","NCI-H727","NCI-H727","NCIH727","","NCI-H727","NCIH727","NCI-H727","","NCI-H727","NCI-H727","NCI-H727","","NCIH727","NCI-H727","NCI-H727","","NCIH727_LUNG","lung","lung","lung","","Lung","LUNG","Lung","lung","lung","","","lung","lung","Lung","lung","NCIH727","lung","","","","lung","CVCL_1584","NCIH727_1133_2019","NCI-H727","lung","Lung carcinoid tumor","Cancer cell line",NA,"ACH-000775"
-"NCI-H735","Lung","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1585","NCIH735_1134_2019","","lung","Small cell lung carcinoma","Cancer cell line",TRUE,""
-"NCI-H740","Lung","","","","","","","NCI-H740","NCI-H740","","","NCI-H740","","","","NCI-H740","","","","","","","","","Lung","","","","","lung","","","lung","","","","","","","CVCL_1586","NCIH740_1135_2019","NCI-H740","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002175"
-"NCI-H747","Bowel","NCI-H747","NCI-H747","NCIH747","","","","NCI-H747","","NCI-H747","NCI-H747","NCI-H747","","NCIH747","","NCI-H747","","NCIH747_LARGE_INTESTINE","large_intestine","large_intestine","colon","","","","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","","large_intestine","NCIH747","large_intestine","","","","colorectal","CVCL_1587","NCIH747_1136_2019","NCI-H747","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000403"
-"NCI-H748","Lung","NCI-H748","","NCIH748","","","","NCI-H748","NCI-H748","","","NCI-H748","","","","NCI-H748","","","lung","","lung","","","","lung","","lung","","","lung","","","lung","","","","","","","CVCL_1588","NCIH748_1137_2019","NCI-H748","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002176"
-"NCI-H810","Lung","NCI-H810","NCI-H810","NCIH810","","NCI-H810","NCIH810","NCI-H810","","NCI-H810","NCI-H810","NCI-H810","","NCIH810","NCI-H810","NCI-H810","","","lung","lung","lung","","Lung","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","","lung","NCIH810","lung","","","","","CVCL_1590","NCIH810_1138_2019","NCI-H810","lung","Large cell lung carcinoma","Cancer cell line",NA,"ACH-000789"
-"NCI-H82","Lung","NCI-H82","NCI-H82","NCIH82","","NCI-H82","NCIH82","NCI-H82","","NCI-H82","NCI-H82","NCI-H82","","","NCI-H82","NCI-H82","","","lung","lung","lung","","Lung","LUNG","Lung","lung","lung","","","lung","","Lung","lung","","","","","","","CVCL_1591","NCIH82_1139_2019","NCI-H82","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000355"
-"NCI-H820","Lung","","","","","NCI-H820","","","","","","NCI-H820","","","NCI-H820","","","","","","","","Lung","","","","","","","lung","","","lung","","","","","","","CVCL_1592","NCIH820_1140_2019","","lung","Papillary lung adenocarcinoma","Cancer cell line",TRUE,""
-"NCI-H835","Lung","","","","","","","NCI-H835","NCI-H835","","","NCI-H835","","","","NCI-H835","","","","","","","","","Lung","","","","","lung","","","lung","","","","","","","CVCL_1593","NCIH835_1141_2019","NCI-H835","lung","Lung carcinoid tumor","Cancer cell line",NA,"ACH-002177"
-"NCI-H838","Lung","NCI-H838","NCI-H838","NCIH838","","","","NCI-H838","","NCI-H838","NCI-H838","NCI-H838","","NCIH838","NCI-H838","NCI-H838","","NCIH838_LUNG","lung","lung","lung","","","","Lung","lung","lung","","","lung","lung","","lung","NCIH838","lung","","","","lung","CVCL_1594","NCIH838_1142_2019","NCI-H838","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000416"
-"NCI-H841","Lung","","NCI-H841","","","","NCIH841","NCI-H841","","NCI-H841","NCI-H841","NCI-H841","","NCIH841","NCI-H841","NCI-H841","","NCIH841_LUNG","","lung","","","","LUNG","Lung","lung","","","","lung","lung","","lung","NCIH841","lung","","","","lung","CVCL_1595","NCIH841_1143_2019","NCI-H841","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000292"
-"NCI-H847","Lung","","","","","NCI-H847","","NCI-H847","NCI-H847","","","NCI-H847","","","NCI-H847","NCI-H847","","","","","","","Lung","","Lung","","","","","lung","","","lung","","","","","","","CVCL_1596","NCIH847_1144_2019","NCI-H847","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001365"
-"NCI-H854","Other","","NCI-H854","","","","","","","NCI-H854","NCI-H854","","","","","","","","","lung","","","","","","lung","","","","lung","","","","","","","","","","CVCL_A584","NCIH854_1145_2019","","lung","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000710"
-"NCI-H865","Lung","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1597","NCIH865_1146_2019","","lung","Small cell lung carcinoma","Cancer cell line",NA,""
-"NCI-H889","Lung","NCI-H889","NCI-H889","","","NCI-H889","","","","NCI-H889","NCI-H889","","","NCIH889","NCI-H889","","","","lung","lung","","","Lung","","","lung","","","","lung","lung","Lung","","","","","","","","CVCL_1598","NCIH889_1147_2019","","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000297"
-"NCI-H920","Lung","","","","","NCI-H920","","","","","","","","","NCI-H920","","","","","","","","Lung","","","","","","","lung","","","","","","","","","","CVCL_1599","NCIH920_1148_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,""
-"NCI-H929","Lymphoid","","NCI-H929","","","NCI-H929","","NCI-H929","","NCI-H929","NCI-H929","NCI-H929","","NCIH929","NCI-H929","NCI-H929","","","","haematopoietic_and_lymphoid_tissue","","","Bone Marrow","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1600","NCIH929_1149_2019","NCI-H929","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000050"
-"NCI-N417","Lung","NCI-N417","","","","NCI-N417","","","","","","","","","NCI-N417","","","","lung","","","","Lung","","","","","","","lung","","","","","","","","","","CVCL_1602","NCIN417_1150_2019","","lung","Small cell lung carcinoma","Cancer cell line",NA,""
-"NCI-N87","Esophagus/Stomach","NCI-N87","NCI-N87","NCIN87","","NCI-N87","","NCI-N87","","NCI-N87","NCI-N87","NCI-N87","","NCIN87","NCI-N87","NCI-N87","","NCIN87_STOMACH","stomach","stomach","stomach","","Stomach","","Stomach","stomach","digestive_system","","","stomach","stomach","Stomach","stomach","NCIN87","stomach","","","","gastric","CVCL_1603","NCIN87_1151_2019","NCI-N87","stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-000427"
-"NCO2","Myeloid","","NCO2","","","","","","","NCO2","NCO2","","","NCO2","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_3043","NCO2_1155_2019","","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000076"
-"ND-1","Prostate","","","","","","","","","","","","","","","","ND-1","","","","","","","","","","","","","","","","","","","","","Prostate Cancer","","CVCL_4781","ND-114372021_","","","Prostate carcinoma","Cancer cell line",TRUE,""
-"NEC8","Testis","NEC8","","","","","","NEC8","NEC8","","","NEC8","","","","NEC8","","","testis","","","","","","testis","","urogenital_system","","","testis","","","testis","","","","","","","CVCL_1604","NEC8_1156_2019","NEC8","testis","Testicular embryonal carcinoma","Cancer cell line",NA,"ACH-002288"
-"NGP","Peripheral Nervous System","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2141","NGP14392021_","","","","",NA,"ACH-001366"
-"NH-12","Peripheral Nervous System","NH-12","","","","","","NH-12","NH-12","","","NH-12","","","","NH-12","","","autonomic_ganglia","","","","","","Kidney","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1605","NH12_1157_2019","NH-12","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-001603"
-"NH-6","Peripheral Nervous System","NH-6","NH-6","","","","","","","NH-6","NH-6","","","NH6","","","","","autonomic_ganglia","autonomic_ganglia","","","","","","autonomic_ganglia","","","","autonomic_ganglia","autonomic_ganglia","","","","","","","","","CVCL_1606","NH6_1158_2019","","autonomic_ganglia","Adrenal gland neuroblastoma","Cancer cell line",NA,"ACH-000203"
-"NHAHTDD","CNS/Brain","","NHAHTDD","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","","","","","","","","","","CVCL_WS73","NHAHTDD14422021_","","central_nervous_system","","Transformed cell line",NA,"ACH-001142"
-"NK-92MI","Lymphoid","","","","","","","","","","","NK-92MI","","","","NK-92MI","","","","","","","","","","","","","","","","","lymphoma","","","","","","","CVCL_3755","NK92MI_1160_2019","NK-92MI","haematopoietic_and_lymphoid_tissue","Natural killer cell lymphoblastic leukemia/lymphoma","Cancer cell line",NA,"ACH-002289"
-"NKL","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0466","NKL14442021_","","","","",NA,"ACH-001143"
-"NKM-1","Myeloid","NKM-1","","","","","","NKM-1","NKM-1","","","NKM-1","","","","NKM-1","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1607","NKM1_1161_2019","NKM-1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-002290"
-"NL-SCLC3","Lung","","","SCLC3","","","","","","","","","","","","","","","","","lung","","","","","","","","","","","","","","","","","","","","NL-SCLC314462021_","","lung","Small cell lung carcinoma","",NA,""
-"NMB","Peripheral Nervous System","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2143","NMB14472021_","","","","",NA,"ACH-001367"
-"NMC-G1","CNS/Brain","NMC-G1","NMC-G1","","","","","NMC-G1","","NMC-G1","NMC-G1","NMC-G1","","NMCG1","","NMC-G1","","","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","","","","","","","CVCL_1608","NMCG1_1162_2019","NMC-G1","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000200"
-"NOMO-1","Myeloid","NOMO-1","NOMO-1","","","","NOMO1","NOMO-1","","NOMO-1","NOMO-1","NOMO-1","","NOMO1","NOMO-1","NOMO-1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","NOMO1","blood","","","CVCL_1609","NOMO1_1165_2019","NOMO-1","haematopoietic_and_lymphoid_tissue","Adult acute monocytic leukemia","Cancer cell line",NA,"ACH-000168"
-"NOS-1 [Human osteosarcoma]","Bone","NOS-1","","","","","","NOS-1","NOS-1","","","NOS-1","","","","NOS-1","","","bone","","","","","","bone","","bone","","","bone","","","bone","","","","","","","CVCL_1610","NOS1_1166_2019","NOS-1","bone","Osteosarcoma","Cancer cell line",NA,"ACH-002067"
-"NOZ","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3079","NOZ14512021_","","","","",NA,"ACH-001607"
-"NP-5","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1R17","NP-514522021_","","","","",NA,"ACH-001610"
-"NP-8","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_4W66","NP-814532021_","","","","",NA,"ACH-001611"
-"NP2","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_A9SM","NP214542021_","","","","",NA,"ACH-001608"
-"NP3","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_A9SN","NP314552021_","","","","",NA,"ACH-001609"
-"NT2-D1","Testis","NTERA-S-cl-D1","","","","","","NTERA-S-cl-D1","","","","","","","","","","","testis","","","","","","Testes","","","","","testis","","","testis","","","","","","","CVCL_3407","NTERASclD1_1169_2019","NTERA-2_cl_D1","testis","Embryonal carcinoma","Cancer cell line",TRUE,"ACH-002291"
-"NTERA-2","Testis","","","","","NTERA-2","","","NTERA-2cl-D1","","","NTERA-2_cl.D1","","","NTERA-2","NTERA-2 cl.D1","","","","","","","Testis","","","","","","","","","","testis","","","","","","","CVCL_0034","NTERA2_1167_2019","","testis","Embryonal carcinoma","Cancer cell line",TRUE,""
-"NU-DHL-1","Lymphoid","","NU-DHL-1","","","","","","","NU-DHL-1","NU-DHL-1","","","NUDHL1","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_1876","NUDHL1_1170_2019","","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000388"
-"NU-DUL-1","Lymphoid","","NU-DUL-1","","","NU-DUL-1","NUDUL1","NU-DUL-1","","NU-DUL-1","NU-DUL-1","NU-DUL-1","","NUDUL1","NU-DUL-1","NU-DUL-1","","","","haematopoietic_and_lymphoid_tissue","","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1877","NUDUL1_1171_2019","NU-DUL-1","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma activated B-cell type","Cancer cell line",NA,"ACH-000287"
-"NUGC-2","Esophagus/Stomach","","NUGC-2","","","NUGC-2","","","","NUGC-2","NUGC-2","","","","NUGC-2","","","","","stomach","","","Stomach","","","stomach","","","","","","","","","","","","","","CVCL_1611","NUGC2_1172_2019","","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000761"
-"NUGC-3","Esophagus/Stomach","NUGC-3","NUGC-3","","","NUGC-3","","NUGC-3","","NUGC-3","NUGC-3","NUGC-3","","NUGC3","NUGC-3","NUGC-3","","NUGC3_STOMACH","stomach","stomach","","","Stomach","","Stomach","stomach","digestive_system","","","stomach","stomach","Stomach","stomach","NUGC3","stomach","","","","gastric","CVCL_1612","NUGC3_1173_2019","NUGC-3","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000911"
-"NUGC-4","Esophagus/Stomach","","NUGC-4","","","NUGC-4","NUGC4","NUGC-4","","NUGC-4","NUGC-4","NUGC-4","","NUGC4","NUGC-4","NUGC-4","","NUGC4_STOMACH","","stomach","","","Stomach","STOMACH","Stomach","stomach","","","","stomach","stomach","Stomach","stomach","NUGC4","stomach","","","","gastric","CVCL_3082","NUGC4_1174_2019","NUGC-4","stomach","Signet ring cell gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000674"
-"NY","Bone","NY","","","","","","NY","NY","","","NY","","","","NY","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1613","NY_1175_2019","NY","bone","Osteosarcoma","Cancer cell line",NA,"ACH-002178"
-"NYH/ICRF-187-1","","","","","","","","","","","","","","","","","NYH/ICRF-187-1","","","","","","","","","","","","","","","","","","","","","Non-Small Cell Lung Cancer","","","NYH/ICRF-187-114642021_","","","","",NA,""
-"NZOV9","Ovary/Fallopian Tube","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_LJ73","NZOV914652021_","","","","",NA,"ACH-001991"
-"Namalwa","Lymphoid","","NAMALWA","NAMALWA","","NAMALWA","","NAMALWA","","NAMALWA","NAMALWA","NAMALWA","","NAMALWA","NAMALWA","NAMALWA","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0067","NAMALWA_981_2019","NAMALWA","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-000944"
-"OACM5.1 C","Esophagus/Stomach","","","","","","","OACM5-1","OACM5-1","","","OACM5-1","","","","OACM5-1","","","","","","","","","Esophagus","","","","","","","","esophagus","","","","","","","CVCL_1842","OACM51_1176_2019","OACM5-1","oesophagus","Esophageal adenocarcinoma","Cancer cell line",TRUE,"ACH-001368"
-"OACP4 C","Esophagus/Stomach","","","","","","","OACp4C","OACp4C","","","OACp4C","","","","OACp4C","","","","","","","","","Esophagus","","","","","","","","esophagus","","","","","","","CVCL_1843","OACp4C_1177_2019","OACp4C","oesophagus","Esophageal adenocarcinoma","Cancer cell line",NA,"ACH-002292"
-"OAW28","Ovary/Fallopian Tube","OAW-28","OAW28","","","OAW28","","OAW-28","","OAW28","OAW28","OAW-28","","OAW28","OAW-28","OAW-28","","","ovary","ovary","","","Ovary","","Ovary","ovary","urogenital_system","","","ovary","ovary","","ovary","","","","","","","CVCL_1614","OAW28_1178_2019","OAW-28","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000116"
-"OAW42","Ovary/Fallopian Tube","OAW-42","OAW42","","","OAW42","OAW42","OAW-42","","OAW42","OAW42","OAW-42","","OAW42","OAW42","OAW-42","","OAW42_OVARY","ovary","ovary","","","Ovary","OVARY","Ovary","ovary","urogenital_system","","","ovary","ovary","Ovary","ovary","OAW42","ovary","","","","ovary","CVCL_1615","OAW42_1179_2019","OAW-42","ovary","Ovarian cystadenocarcinoma","Cancer cell line",TRUE,"ACH-000704"
-"OC 314","Ovary/Fallopian Tube","OC-314","OC 314","","","","","OC-314","","OC_314","OC_314","OC-314","","OC314","","OC-314","","OC314_OVARY","ovary","ovary","","","","","Ovary","ovary","urogenital_system","","","ovary","ovary","","ovary","OC314","ovary","","","","ovary","CVCL_1616","OC314_1182_2019","OC-314","ovary","Ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000962"
-"OC 315","Ovary/Fallopian Tube","","OC 315","","","","","","","","","","","","","","","","","ovary","","","","","","","","","","","","","","","","","","","","CVCL_1617","OC315_1180_2019","","ovary","Ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-001144"
-"OC 316","Ovary/Fallopian Tube","","OC 316","","","","","","","","","","","","","","","OC316_OVARY","","ovary","","","","","","","","","","","","","","","","","","","ovary","CVCL_1618","OC316_1181_2019","","ovary","Ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-001145"
-"OCI-AML-2","Myeloid","OCI-AML2","OCI-AML2","","","OCI-AML2","","OCI-AML2","","OCI-AML2","OCI-AML2","OCI-AML2","","OCIAML2","OCI-AML2","OCI-AML2","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","OCIAML2","blood","","","CVCL_1619","OCIAML2_1183_2019","OCI-AML2","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000113"
-"OCI-AML-3","Myeloid","","OCI-AML3","","","OCI-AML3","OCIAML3","OCI-AML3","","OCI-AML3","OCI-AML3","OCI-AML3","","OCIAML3","OCI-AML3","OCI-AML3","","","","haematopoietic_and_lymphoid_tissue","","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1844","OCIAML3_1184_2019","OCI-AML3","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000336"
-"OCI-AML-4","Myeloid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5224","OCI-AML-414762021_","","","","",NA,"ACH-001613"
-"OCI-AML-5","Myeloid","","OCI-AML5","","","OCI-AML5","","OCI-AML5","","OCI-AML5","OCI-AML5","OCI-AML5","","OCIAML5","OCI-AML5","OCI-AML5","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","OCIAML5","blood","","","CVCL_1620","OCIAML5_1185_2019","OCI-AML5","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000065"
-"OCI-C4p","Ovary/Fallopian Tube","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_DH05","OCI-C4p14782021_","","","","",NA,"ACH-001719"
-"OCI-C5x","Ovary/Fallopian Tube","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_DH06","OCI-C5x14792021_","","","","",NA,"ACH-001369"
-"OCI-Ly10","Lymphoid","","OCI-LY10","","","OCI-LY-10","OCILY10","","","","","","","OCILY10","OCI-LY-10","","","","","haematopoietic_and_lymphoid_tissue","","","Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","","","","","","","","CVCL_8795","OCILY10_1188_2019","","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-001146"
-"OCI-Ly12","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8796","OCI-Ly1214812021_","","","","",NA,"ACH-001147"
-"OCI-Ly13.2","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8797","OCI-Ly13.214822021_","","","","",NA,"ACH-001148"
-"OCI-Ly18","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1880","OCI-Ly1814832021_","","","","",NA,"ACH-001616"
-"OCI-Ly19","Lymphoid","","OCI-LY-19","","","OCI-LY-19","","OCI-LY-19","","OCI-LY-19","OCI-LY-19","OCI-LY-19","","OCILY19","OCI-LY-19","OCI-LY-19","","","","haematopoietic_and_lymphoid_tissue","","","Lymph Node","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1878","OCILY19_1186_2019","OCI-LY-19","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000124"
-"OCI-Ly3","Lymphoid","","OCI-LY3","","","OCI-LY-3","","","","OCI-LY3","OCI-LY3","","","OCILY3","OCI-LY-3","","","","","haematopoietic_and_lymphoid_tissue","","","Lymph Node","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_8800","OCILY3_1189_2019","","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000158"
-"OCI-Ly7","Lymphoid","","","","","OCI-LY-7","","OCI-LY7","OCI-LY7","","","OCI-LY7","","","OCI-LY-7","OCI-LY7","","","","","","","Lymph Node","","haematopoietic_and_lymphoid_tissue","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1881","OCILY7_1187_2019","OCI-LY7","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-001617"
-"OCI-M1","Myeloid","","OCI-M1","","","OCI-M1","","OCI-M1","","OCI-M1","OCI-M1","OCI-M1","","OCIM1","OCI-M1","OCI-M1","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2149","OCIM1_1190_2019","OCI-M1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000751"
-"OCI-M2","Myeloid","","","","","OCI-M2","","","","","","","","","OCI-M2","","","","","","","","Blood","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_2150","OCIM2_1191_2019","","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-001618"
-"OCI-My5","Lymphoid","","OCIMY5","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","","","","","","","CVCL_E332","OCI-My514892021_","","haematopoietic_and_lymphoid_tissue","","Cancer cell line",NA,"ACH-000854"
-"OCI-My7","Lymphoid","","OCI-MY7","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","","","","","","","CVCL_E333","OCI-My714902021_","","haematopoietic_and_lymphoid_tissue","","Cancer cell line",NA,"ACH-000436"
-"OCIP5X","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","OCIP5X14912021_","","","","",NA,"ACH-001370"
-"OCUB-M","Breast","OCUB-M","","","","","","OCUB-M","OCUB-M","","","OCUB-M","ocubm///ocub1","","","OCUB-M","","","breast","","","","","","Breast","","breast","14-ocub1///OCUB-1","breast","breast","","","breast","","","","","","","CVCL_1621","OCUBM_1192_2019","OCUB-M","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-002179"
-"OCUG-1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3083","OCUG-114932021_","","","","",NA,"ACH-001619"
-"OCUM-1","Esophagus/Stomach","","OCUM-1","","","OCUM-1","","OCUM-1","","OCUM-1","OCUM-1","OCUM-1","","OCUM1","OCUM-1","OCUM-1","","","","stomach","","","Stomach","","Stomach","stomach","","","","stomach","stomach","Stomach","stomach","OCUM1","stomach","","","","","CVCL_3084","OCUM1_1193_2019","OCUM-1","stomach","Signet ring cell gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000247"
-"OE19","Esophagus/Stomach","OE19","OE19","OE19","","","","OE19","","OE19","OE19","OE19","","OE19","OE19","OE19","","OE19_OESOPHAGUS","oesophagus","oesophagus","esophagus","","","","Esophag","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","Esophagus","oesophagus","OE19","oesophagus","","","","esophagus","CVCL_1622","OE19_1194_2019","OE19","oesophagus","Esophageal adenocarcinoma","Cancer cell line",NA,"ACH-000679"
-"OE21","Esophagus/Stomach","","OE21","OE21","","","","OE21","","OE21","OE21","OE21","","OE21","OE21","OE21","","OE21_OESOPHAGUS","","oesophagus","esophagus","","","","Esophagus","upper_aerodigestive_tract","","","","upper_aerodigestive_tract","oesophagus","Esophagus","upper_aerodigestive_tract","OE21","oesophagus","","","","esophagus","CVCL_2661","OE21_1195_2019","OE21","upper_aerodigestive_tract","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000544"
-"OE33","Esophagus/Stomach","OE33","OE33","OE33","","","","OE33","","OE33","OE33","OE33","","OE33","OE33","OE33","","OE33_OESOPHAGUS","oesophagus","oesophagus","esophagus","","","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","Esophagus","oesophagus","OE33","oesophagus","","","","esophagus","CVCL_0471","OE33_1196_2019","OE33","oesophagus","Barrett adenocarcinoma","Cancer cell line",NA,"ACH-000383"
-"OELE","Ovary/Fallopian Tube","","OELE","","","","","","","","","","","","","","","","","ovary","","","","","","","","","","","","","","","","","","","","CVCL_IW56","OELE_1197_2019","","ovary","","Transformed cell line",NA,"ACH-000494"
-"OESO_009","Other","","","","","","","","","","","OESO_009","","","","","","","","","","","","","","","","","","","","","oesophagus","","","","","","","","OESO_00914992021_","","oesophagus","","",NA,""
-"OESO_040","Other","","","","","","","","","","","OESO_040","","","","","","","","","","","","","","","","","","","","","oesophagus","","","","","","","","OESO_04015002021_","","oesophagus","","",NA,""
-"OHS","Bone","","","","","","","","OHS","","","","","","","","","","","","","","","","","","","","","","","","bone","","","","","","","CVCL_B450","OHS15012021_","","bone","Osteosarcoma","Cancer cell line",NA,""
-"OMC-1 [Human cervical carcinoma]","Cervix","OMC-1","","","","","","","OMC-1","","","OMC-1","","","","OMC-1","","","cervix","","","","","","","","urogenital_system","","","cervix","","","cervix","","","","","","","CVCL_1623","OMC1_1199_2019","OMC-1","cervix","Cervical squamous cell carcinoma","Cancer cell line",TRUE,"ACH-002180"
-"OMM-1","Eye","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6939","OMM-115032021_","","","","",NA,"ACH-002017"
-"OMM25","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","OMM2515042021_","","","","",NA,"ACH-002018"
-"ONCO-DG-1","Ovary/Fallopian Tube","","ONCO-DG-1","","","","","","","ONCO-DG-1","ONCO-DG-1","","","ONCODG1","ONCO-DG-1","","","ONCODG1_OVARY","","ovary","","","","","","ovary","","","","","ovary","Ovary","","ONCODG1","ovary","","","","ovary","CVCL_1882","ONCODG1_1200_2019","","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000013"
-"ONS-76","CNS/Brain","ONS-76","ONS-76","","","","","ONS-76","","ONS-76","ONS-76","ONS-76","","ONS76","ONS-76","ONS-76","","ONS76_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","Brain","central_nervous_system","ONS76","central_nervous_system","","","","central_nervous_system","CVCL_1624","ONS76_1201_2019","ONS-76","central_nervous_system","Medulloblastoma","Cancer cell line",NA,"ACH-000776"
-"OPM-1","Lymphoid","","OPM-1","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","","","","","","","CVCL_5210","OPM-115072021_","","haematopoietic_and_lymphoid_tissue","","Cancer cell line",NA,"ACH-000057"
-"OPM-2","Lymphoid","OPM-2","OPM-2","","","OPM-2","","OPM-2","","OPM-2","OPM-2","OPM-2","","OPM2","OPM-2","OPM-2","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1625","OPM2_1202_2019","OPM-2","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000024"
-"OS-RC-2","Kidney","OS-RC-2","OS-RC-2","","","","","OS-RC-2","","OS-RC-2","OS-RC-2","OS-RC-2","","OSRC2","","OS-RC-2","","OSRC2_KIDNEY","kidney","kidney","","","","","Kidney","kidney","kidney","","","kidney","kidney","","kidney","OSRC2","kidney","","","","kidney","CVCL_1626","OSRC2_1203_2019","OS-RC-2","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000159"
-"OS252","Bone","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WU66","OS25215102021_","","","","",NA,"ACH-001814"
-"OSA-80","Bone","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_EQ73","OSA80_1204_2019","","bone","Osteosarcoma","Cancer cell line",NA,""
-"OSC-19","Head and Neck","","","","","","","OSC-19","OSC-19","","","OSC-19","","","OSC-19","OSC-19","","","","","","","","","Head & Neck","","","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_3086","OSC19_1205_2019","OSC-19","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001625"
-"OSC-20","Head and Neck","","","","","","","OSC-20","OSC-20","","","OSC-20","","","OSC-20","OSC-20","","","","","","","","","Head & Neck","","","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_3087","OSC20_1206_2019","OSC-20","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001626"
-"OST","Cervix","","","","","","","","OST","","","","","","","","","","","","","","","","","","","","","","","","bone","","","","","","","CVCL_8399","OST15142021_","","bone","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,""
-"OUMS-23","Bowel","","OUMS-23","","","OUMS-23","","","","OUMS-23","OUMS-23","OUMS-23","","OUMS23","OUMS-23","","","OUMS23_LARGE_INTESTINE","","large_intestine","","","Colon","","","large_intestine","","","","large_intestine","large_intestine","","large_intestine","","","","","","colorectal","CVCL_3088","OUMS23_1207_2019","","large_intestine","Colon carcinoma","Cancer cell line",TRUE,"ACH-000296"
-"OUMS-27","Bone","","OUMS-27","","","","","","","","","","","","","","","","","bone","","","","","","","","","","","","","","","","","","","","CVCL_3090","OUMS27_1208_2019","","bone","Primary central chondrosarcoma","Cancer cell line",NA,"ACH-001150"
-"OV-90","Ovary/Fallopian Tube","","OV-90","OV90","","OV-90","OV90","OV-90","","OV-90","OV-90","OV-90","","OV90","OV-90","OV-90","","","","ovary","ovary","","Ovary","OVARY","Ovary","ovary","","","","ovary","ovary","Ovary","ovary","OV90","ovary","OV90","ovary","","","CVCL_3768","OV90_1210_2019","OV-90","ovary","Ovarian adenocarcinoma","Cancer cell line",TRUE,"ACH-000291"
-"OV17R","Ovary/Fallopian Tube","","","","","","","OV-17R","OV-17R","","","OV-17R","","","","OV-17R","","","","","","","","","Ovary","","","","","","","","ovary","","","","","","","CVCL_2672","OV17R_1209_2019","OV-17R","ovary","Ovarian adenocarcinoma","Cancer cell line",TRUE,"ACH-001373"
-"OV56","Ovary/Fallopian Tube","","OV56","","","OV56","","OV-56","","OV56","OV56","OV-56","","OV56","OV56","OV-56","","OV56_OVARY","","ovary","","","Ovary","","ovary","ovary","","","","","ovary","","ovary","OV56","ovary","","","","ovary","CVCL_2673","OV56_1211_2019","OV-56","ovary","Ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000091"
-"OV7","Ovary/Fallopian Tube","","OV7","","","OV7","OV7","OV-7","","OV7","OV7","OV-7","","OV7","OV7","OV-7","","OV7_OVARY","","ovary","","","Ovary","OVARY","Ovary","ovary","","","","","ovary","","ovary","OV7","ovary","","","","ovary","CVCL_2675","OV7_1212_2019","OV-7","ovary","Ovarian carcinoma","Cancer cell line",NA,"ACH-000688"
-"OVCA420","Ovary/Fallopian Tube","","","","","OVCA 420","","OVCA420","OVCA420","","","OVCA420","","","OVCA 420","OVCA420","","","","","","","Ovary","","Ovary","","","","","","","","ovary","","","","","","","CVCL_3935","OVCA420_1213_2019","OVCA420","ovary","Ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-002181"
-"OVCA429","Ovary/Fallopian Tube","","","","","OvCA 429","","","","","","","","","OvCA 429","","","","","","","","Ovary","","","","","","","","","","","","","","","","","CVCL_3936","OvCA429_1214_2019","","ovary","Ovarian cystadenocarcinoma","Cancer cell line",NA,""
-"OVCA432","Ovary/Fallopian Tube","","","","","OvCA 432","","","","","","","","","OvCA 432","","","","","","","","Ovary","","","","","","","","","","ovary","","","","","","","CVCL_3769","OvCA432_1215_2019","","ovary","Ovarian serous adenocarcinoma","Cancer cell line",NA,""
-"OVCA433","Ovary/Fallopian Tube","","","","","OVCAR433","","","OVCA433","","","OVCA433","","","OVCAR433","OVCA433","","","","","","","Ovary","","","","","","","ovary","","","ovary","","","","","","","CVCL_0475","OVCA433_1216_2019","OVCA433","ovary","Ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-002182"
-"OVCAR-3","Ovary/Fallopian Tube","OVCAR-3","NIH:OVCAR-3","OVCAR3","","NIH:OVCAR-3","","OVCAR-3","","NIH_OVCAR-3","NIH_OVCAR-3","OVCAR-3","","","OVCAR-3///NIH:OVCAR-3","OVCAR-3","OVCAR-3///OV.OVCAR.3","","ovary","ovary","ovary","","Ovary","","Ovary","ovary","urogenital_system","","","ovary","","Ovary","ovary","NIHOVCAR3","ovary","OVCAR3","ovary","Ovarian Cancer///Ovarian","","CVCL_0465","OVCAR3_1217_2019","OVCAR-3","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000001"
-"OVCAR-4","Ovary/Fallopian Tube","OVCAR-4","OVCAR-4","OVCAR4","","OVCAR-4","OVCAR4","OVCAR-4","","OVCAR-4","OVCAR-4","OVCAR-4","","OVCAR4","OVCAR-4","OVCAR-4","OVCAR-4///OV.OVCAR.4","","ovary","ovary","ovary","","Ovary","OVARY","Ovary","ovary","urogenital_system","","","ovary","ovary","Ovary","ovary","OVCAR4","ovary","OVCAR4","ovary","Ovarian Cancer///Ovarian","","CVCL_1627","OVCAR4_1218_2019","OVCAR-4","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000617"
-"OVCAR-5","Ovary/Fallopian Tube","OVCAR-5","OVCAR-5","OVCAR5","","OVCAR-5","","OVCAR-5","OVCAR-5","","","OVCAR-5","","OVCAR5","OVCAR-5","OVCAR-5","OVCAR-5///OV.OVCAR.5","","ovary","","ovary","","Ovary","","Ovary","","urogenital_system","","","ovary","","Ovary","ovary","OVCAR5","","OVCAR5","ovary","Ovarian Cancer///Ovarian","","CVCL_1628","OVCAR5_1219_2019","OVCAR-5","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-001151"
-"OVCAR-8","Ovary/Fallopian Tube","OVCAR-8","OVCAR-8","OVCAR8","","OVCAR-8","OVCAR8","OVCAR-8","","OVCAR-8","OVCAR-8","OVCAR-8","","OVCAR8","OVCAR-8","OVCAR-8","OVCAR-8///OV.OVCAR.8","OVCAR8_OVARY","ovary","ovary","ovary","","Ovary","OVARY","Ovary","ovary","urogenital_system","","","ovary","ovary","Ovary","ovary","OVCAR8","ovary","OVCAR8","ovary","Ovarian Cancer///Ovarian","ovary","CVCL_1629","OVCAR8_1220_2019","OVCAR-8","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000696"
-"OVISE","Ovary/Fallopian Tube","","OVISE","","","OVISE","","OVISE","","OVISE","OVISE","OVISE","","OVISE","OVISE","OVISE","","OVISE_OVARY","","ovary","","","Ovary","","Ovary","ovary","","","","ovary","ovary","","ovary","OVISE","ovary","","","","ovary","CVCL_3116","OVISE_1222_2019","OVISE","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",TRUE,"ACH-000527"
-"OVK18","Ovary/Fallopian Tube","","OVK18","","","","OVK18","OVK-18","","OVK18","OVK18","OVK-18","","OVK18","","OVK-18","","OVK18_OVARY","","ovary","","","","OVARY","Ovary","ovary","","","","ovary","ovary","","ovary","OVK18","ovary","","","","ovary","CVCL_3770","OVK18_1223_2019","OVK-18","ovary","Ovarian endometrioid adenocarcinoma","Cancer cell line",TRUE,"ACH-000947"
-"OVKATE","Ovary/Fallopian Tube","","OVKATE","","","OVKATE","OVKATE","OVKATE","OVKATE","","","OVKATE","","","OVKATE","OVKATE","","","","ovary","","","Ovary","OVARY","Ovary","","","","","ovary","","","ovary","OVKATE","ovary","","","","","CVCL_3110","OVKATE_1224_2019","OVKATE","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000443"
-"OVMANA","Ovary/Fallopian Tube","","OVMANA","","","OVMANA","OVMANA","","","OVMANA","OVMANA","","","","OVMANA","","","","","ovary","","","Ovary","OVARY","","ovary","","","","ovary","","","","OVMANA","ovary","","","","","CVCL_3111","OVMANA_1225_2019","","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",NA,"ACH-000646"
-"OVMIU","Ovary/Fallopian Tube","","","","","","","OVMIU","OVMIU","","","OVMIU","","","","OVMIU","","","","","","","","","Ovary","","","","","ovary","","","ovary","","","","","","","CVCL_3112","OVMIU_1226_2019","OVMIU","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-002183"
-"OVSAHO","Ovary/Fallopian Tube","","OVSAHO","","","OVSAHO","","","","OVSAHO","OVSAHO","","","OVSAHO","OVSAHO","","","","","ovary","","","Ovary","","","ovary","","","","","ovary","Ovary","","OVSAHO","ovary","","","","","CVCL_3114","OVSAHO_1227_2019","","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000409"
-"OVTOKO","Ovary/Fallopian Tube","","OVTOKO","","","OVTOKO","","OVTOKO","","OVTOKO","OVTOKO","OVTOKO","","OVTOKO","OVTOKO","OVTOKO","","OVTOKO_OVARY","","ovary","","","Ovary","","ovary","ovary","","","","ovary","ovary","Ovary","ovary","OVTOKO","ovary","","","","ovary","CVCL_3117","OVTOKO_1228_2019","OVTOKO","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",TRUE,"ACH-000663"
-"OVXF 899L","Ovary/Fallopian Tube","","","","","","","","","","","","","","","","OVXF 899","","","","","","","","","","","","","","","","","","","","","Ovarian Cancer","","CVCL_D170","OVXF 899L15362021_","","","Ovarian adenocarcinoma","Cancer cell line",NA,""
-"Okajima","Esophagus/Stomach","","","","","Okajima","","","","","","","","","Okajima","","","","","","","","Stomach","","","","","","","","","","","","","","","","","CVCL_9815","Okajima_1198_2019","","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,""
-"Onda 10","CNS/Brain","no-10","","","","","","no-10","no-10","","","no-10","","","","no-10","","","central_nervous_system","","","","","","CNS","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_3075","no10_1163_2019","no-10","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-001605"
-"Onda 11","CNS/Brain","no-11","","","","","","no-11","no-11","","","no-11","","","","no-11","","","central_nervous_system","","","","","","CNS","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_3076","no11_1164_2019","no-11","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-001606"
-"Onda 7","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_4W67","Onda 715402021_","","","","",NA,"ACH-001622"
-"Onda 8","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_4W68","Onda 815412021_","","","","",NA,"ACH-001623"
-"Onda 9","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1R14","Onda 915422021_","","","","",NA,"ACH-001624"
-"P-STS","Bowel","","","","","","","","","","","","","PSTS","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_L298","PSTS_1278_2019","","","Midgut carcinoid tumor","Cancer cell line",NA,""
-"P116","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6429","P116_1229_2019","","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,""
-"P12-Ichikawa","Lymphoid","P12-ICHIKAWA","P12-ICHIKAWA","","","","","P12-ICHIKAWA","","P12-ICHIKAWA","P12-ICHIKAWA","P12-ICHIKAWA","","P12ICHIKAWA","","P12-ICHIKAWA","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1630","P12ICHIKAWA_1230_2019","P12-ICHIKAWA","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000372"
-"P30/OHK","Lymphoid","P30-OHK","","","","","","P30-OHK","P30-OHK","","","P30-OHK","","","","P30-OHK","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1631","P30OHK_1231_2019","P30-OHK","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002059"
-"P31/FUJ","Myeloid","P31-FUJ","P31/FUJ","","","","","P31-FUJ","","P31_FUJ","P31_FUJ","P31-FUJ","","P31FUJ","","P31-FUJ","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1632","P31FUJ_1232_2019","P31-FUJ","haematopoietic_and_lymphoid_tissue","Childhood acute myeloid leukemia","Cancer cell line",NA,"ACH-000770"
-"P32/ISH","Lymphoid","","","","","","","P32-ISH","P32-ISH","","","P32-ISH","","","","P32-ISH","","","","","","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_3119","P32ISH_1233_2019","P32-ISH","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-002293"
-"P388","Lymphoid","","","","","","","","","","","","","","","","P388","","","","","","","","","","","","","","","","","","","","","Leukemia","","CVCL_7222","P38815492021_","","","Mouse lymphoma","Cancer cell line",NA,""
-"P388/ADR","Lymphoid","","","","","","","","","","","","","","","","P388/ADR","","","","","","","","","","","","","","","","","","","","","Leukemia","","CVCL_IZ75","P388/ADR15502021_","","","Mouse lymphoma","Cancer cell line",NA,""
-"P3HR-1","Lymphoid","","P3HR-1","P3HR1","","","P3HR1","","","P3HR-1","P3HR-1","","","P3HR1","","","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2676","P3HR1_1234_2019","","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-000707"
-"P4E6","Prostate","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2677","P4E615522021_","","","","",NA,"ACH-001627"
-"PA-1","Ovary/Fallopian Tube","PA-1","","","","PA-1","","PA-1","PA-1","","","PA-1","","","PA-1","PA-1","","","ovary","","","","Ovary","","Ovary","","urogenital_system","","","ovary","","Ovary","ovary","","","","","","","CVCL_0479","PA1_1235_2019","PA-1","ovary","Ovarian mixed germ cell tumor","Cancer cell line",TRUE,"ACH-001374"
-"PANC-1","Pancreas","","PANC-1","","","PANC-1","","","","PANC-1","PANC-1","","","PANC1","PANC-1","","","PANC1_PANCREAS","","pancreas","","","Pancreas","","","pancreas","","","","pancreas","pancreas","","","","","","","","pancreas","CVCL_0480","PANC1_1246_2019","","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000164"
-"PC-14","Lung","PC-14","PC-14","","","","","PC-14","","PC-14","PC-14","PC-14","","PC14","","PC-14","","PC14_LUNG","lung","lung","","","","","Lung:NSCLC","lung","lung","","","lung","lung","","lung","PC14","lung","","","","lung","CVCL_1640","PC14_1247_2019","PC-14","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000030"
-"PC-3","Prostate","PC-3","PC-3","PC3","","PC-3","PC3","PC-3","","PC-3","PC-3","PC-3","","PC3","PC-3","PC-3","PC-3///PR.PC.3","PC3_PROSTATE","prostate","prostate","prostate","","Prostate","PROSTATE","[JPC-3]_Lung","prostate","urogenital_system","","","prostate","prostate","Prostate","prostate","PC3","prostate","PC3","other","Prostate Cancer///Prostate","prostate","CVCL_0035","PC3_1248_2019","PC-3","prostate","Prostate carcinoma","Cancer cell line",TRUE,"ACH-000090"
-"PC-3 [Human lung carcinoma]","Lung","","","","","","","","","","","PC-3_JPC-3","","","","PC-3 [JPC-3]","","","","","","","","","","","","","","","","","lung","","","","","","","CVCL_S982","PC3_JPC3_1249_2019","PC-3_JPC-3","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-002184"
-"PC-9","Lung","","PC-9///PC9","","","","","","","","","","","","","","","","","lung","","","","","","","","","","","","","","","","","","","","CVCL_B260","PC-915582021_","","lung","","Cancer cell line",TRUE,"ACH-000779"
-"PCI-04B","Head and Neck","","","","","","","PCI-4B","PCI-4B","","","PCI-4B","","","","PCI-4B","","","","","","","","","Head & Neck","","","","","","","","head_and_neck","","","","","","","CVCL_C171","PCI4B_1253_2019","PCI-4B","head_and_neck","Laryngeal squamous cell carcinoma","Cancer cell line",TRUE,"ACH-002297"
-"PCI-06A","Head and Neck","","","","","","","PCI-6A","PCI-6A","","","PCI-6A","","","","PCI-6A","","","","","","","","","Head & Neck","","","","","","","","head_and_neck","","","","","","","CVCL_C173","PCI6A_1254_2019","PCI-6A","head_and_neck","Tonsillar squamous cell carcinoma","Cancer cell line",NA,"ACH-002298"
-"PCI-15A","Head and Neck","","","","","","","PCI-15A","PCI-15A","","","PCI-15A","","","","PCI-15A","","","","","","","","","Head & Neck","","","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_C184","PCI15A_1250_2019","PCI-15A","upper_aerodigestive_tract","Pyriform fossa squamous cell carcinoma","Cancer cell line",NA,"ACH-002294"
-"PCI-30","Head and Neck","","","","","","","PCI-30","PCI-30","","","PCI-30","","","","PCI-30","","","","","","","","","Head & Neck","","","","","","","","head_and_neck","","","","","","","CVCL_C757","PCI30_1251_2019","PCI-30","head_and_neck","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-002295"
-"PCI-38","Head and Neck","","","","","","","PCI-38","PCI-38","","","PCI-38","","","","PCI-38","","","","","","","","","Head & Neck","","","","","","","","head_and_neck","","","","","","","CVCL_M471","PCI38_1252_2019","PCI-38","head_and_neck","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-002296"
-"PCM6","Lymphoid","","PCM6","","","","","","","PCM6","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","","","","","","","CVCL_4666","PCM6_1255_2019","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-001162"
-"PD1503a","Other","PD1503a","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","PD1503a15652021_","","","","",NA,""
-"PE/CA-PJ15","Head and Neck","","PE/CA-PJ15","","","PE/CA-PJ15","","PE-CA-PJ15","","PE_CA-PJ15","PE_CA-PJ15","PE_CA-PJ15","","PECAPJ15","PE/CA-PJ15","PE/CA-PJ15","","PECAPJ15_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","Tongue","","Head & Neck","upper_aerodigestive_tract","","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","upper_aerodigestive_tract","PECAPJ15","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_2678","PE/CAPJ15_1256_2019","PE_CA-PJ15","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000619"
-"PE/CA-PJ34 (clone C12)","Head and Neck","","PE/CA-PJ34 (clone C12)","","","","","","","PE_CA-PJ34__clone_C12_","PE_CA-PJ34__clone_C12_","","","PECAPJ34CLONEC12","","","","","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","PECAPJ34CLONEC12","","","","","","CVCL_2679","PE/CAPJ34(cloneC12)_1257_2019","","upper_aerodigestive_tract","Basaloid squamous cell carcinoma","Cancer cell line",NA,"ACH-000606"
-"PE/CA-PJ41 (clone D2)","Head and Neck","","PE/CA-PJ41 (clone D2)","","","","","","","PE_CA-PJ41__clone_D2_","PE_CA-PJ41__clone_D2_","","","PECAPJ41CLONED2","","","","PECAPJ41CLONED2_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","PECAPJ41CLONED2","","","","","upper_aerodigestive","CVCL_2680","PE/CAPJ41(cloneD2)_1258_2019","","upper_aerodigestive_tract","Oral cavity squamous cell carcinoma","Cancer cell line",NA,"ACH-000732"
-"PE/CA-PJ49","Head and Neck","","PE/CA-PJ49","","","","","","","PE_CA-PJ49","PE_CA-PJ49","","","PECAPJ49","","","","PECAPJ49_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","","PECAPJ49","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_2681","PE/CAPJ49_1259_2019","","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000735"
-"PEA1","Ovary/Fallopian Tube","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2682","PEA115702021_","","","","",NA,"ACH-001628"
-"PEO1","Ovary/Fallopian Tube","","","","","PE01","","PEO1","PEO1","","","PEO1","","","PE01","PEO1","","","","","","","Ovary","","ovary","","","","","ovary","","","ovary","","","","","","","CVCL_2686","PE01_1260_2019","PEO1","ovary","BRCA2 syndrome","Cancer cell line",TRUE,"ACH-001630"
-"PEO4","Ovary/Fallopian Tube","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2690","PEO415722021_","","","","",NA,"ACH-001632"
-"PF-382","Lymphoid","PF-382","PF-382","","","","","PF-382","","PF-382","PF-382","PF-382","","PF382","","PF-382","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1641","PF382_1262_2019","PF-382","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000937"
-"PFSK-1","CNS/Brain","PFSK-1","","","","","","PFSK-1","PFSK-1","","","PFSK-1","","","","PFSK-1","","","central_nervous_system","","","","","","Brain","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1642","PFSK1_1264_2019","PFSK-1","central_nervous_system","Primitive neuroectodermal tumor","Cancer cell line",NA,"ACH-001711"
-"PGA-1","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_Y545","PGA-115752021_","","","","",NA,"ACH-001634"
-"PK-1","Pancreas","","PK-1","","","","","","","PK-1","PK-1","","","PK1","PK-1","","","PK1_PANCREAS","","pancreas","","","","","","pancreas","","","","pancreas","pancreas","Pancreas","","PK1","pancreas","","","","pancreas","CVCL_4717","PK1_1265_2019","","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-000307"
-"PK-45H","Pancreas","","PK-45H","","","PK-45H","","","","PK-45H","PK-45H","","","PK45H","PK-45H","","","PK45H_PANCREAS","","pancreas","","","Pancreas","","","pancreas","","","","","pancreas","Pancreas","","PK45H","pancreas","","","","pancreas","CVCL_6748","PK45H_1266_2019","","pancreas","Pancreatic carcinoma","Cancer cell line",NA,"ACH-000468"
-"PK-45P","Pancreas","","","","","PK-45P","","","","","","","","","PK-45P","","","","","","","","Pancreas","","","","","","","pancreas","","","","","","","","","","CVCL_6749","PK45P_1267_2019","","pancreas","Pancreatic carcinoma","Cancer cell line",NA,""
-"PK-59","Pancreas","","PK-59","","","PK-59","","","","PK-59","PK-59","","","PK59","PK-59","","","PK59_PANCREAS","","pancreas","","","Pancreas","","","pancreas","","","","pancreas","pancreas","Pancreas","","PK59","pancreas","","","","pancreas","CVCL_4897","PK59_1268_2019","","pancreas","Pancreatic carcinoma","Cancer cell line",TRUE,"ACH-000205"
-"PK-8","Pancreas","","","","","PK-8","","","","","","","","","PK-8","","","","","","","","Pancreas","","","","","","","pancreas","","","","","","","","","","CVCL_4718","PK8_1269_2019","","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-002039"
-"PL-21","Myeloid","","PL-21","","","PL-21","PL21","PL-21","","PL-21","PL-21","PL-21","","PL21","PL-21","PL-21","","","","haematopoietic_and_lymphoid_tissue","","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2161","PL21_1270_2019","PL-21","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000218"
-"PL18 [Human pancreatic adenocarcinoma]","Pancreas","","","","","","","PL18","PL18","","","PL18","","","","PL18","","","","","","","","","Pancreas","","","","","","","","pancreas","","","","","","","CVCL_X507","PL18_1271_2019","PL18","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-002185"
-"PL4","Pancreas","","","","","","","","PL4","","","PL4","","","","PL4","","","","","","","","","","","","","","","","","pancreas","","","","","","","CVCL_S976","PL4_1272_2019","PL4","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-002186"
-"PL45","Pancreas","","PL45","","","PL45","","PL4","","","","","","","PL45","","","","","pancreas","","","Pancreas","","pancreas","","","","","pancreas","","","pancreas","","","","","","","CVCL_3567","PL45_1273_2019","","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-001171"
-"PLB-985","Myeloid","","PLB-985","PLB985","","","","","","","","","","","","","","","","","hematopoietic_and_lymphatic_system","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_2162","PLB-98515852021_","","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","",NA,"ACH-000034"
-"PLC/PRF/5","Liver","PLC-PRF-5","PLC/PRF/5///Alexander cells","","","PLC/PRF/5","","","","PLC_PRF_5","PLC_PRF_5///Alexander cells","","","PLCPRF5","PLC/PRF/5","","","PLCPRF5_LIVER","liver","liver","","","Liver","","","liver","","","","liver","liver","Liver","liver","PLCPRF5","liver","","","","liver","CVCL_0485","PLCPRF5_1274_2019","","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-001318"
-"PMC42","Breast","","","","PMC42","","","","","","","","","","","","","","","","","breast","","","","","","","","","","","","","","","","","","CVCL_5215","PMC42_1275_2019","","breast","Breast carcinoma","Cancer cell line",TRUE,""
-"PMF-ko14","Bowel","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8747","PMF-ko1415882021_","","","","",NA,"ACH-002022"
-"PSN1","Pancreas","PSN1","PSN1","","","PSN1","","PSN1","","PSN1","PSN1","PSN1","","PSN1","PSN1","PSN1","","PSN1_PANCREAS","pancreas","pancreas","","","Pancreas","","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","PSN1","pancreas","","","","pancreas","CVCL_1644","PSN1_1277_2019","PSN1","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000320"
-"PWR-1E","Ovary/Fallopian Tube","","","","","","","PWR-1E","PWR-1E","","","PWR-1E","","","","PWR-1E","","","","","","","","","Prostate","","","","","","","","prostate","","","","","","","CVCL_3775","PWR1E_1279_2019","PWR-1E","prostate","","Transformed cell line",NA,"ACH-001383"
-"PaCaDD-119","Pancreas","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1848","PaCaDD-11915912021_","","","","",NA,"ACH-001375"
-"PaCaDD-135","Pancreas","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1849","PaCaDD-13515922021_","","","","",NA,"ACH-001376"
-"PaCaDD-137","Pancreas","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_1850","PaCaDD-13715932021_","","","","",NA,"ACH-001377"
-"PaCaDD-159","Pancreas","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M465","PaCaDD-15915942021_","","","","",NA,"ACH-001378"
-"PaCaDD-161","Pancreas","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M466","PaCaDD-16115952021_","","","","",NA,"ACH-001379"
-"PaCaDD-165","Pancreas","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M467","PaCaDD-16515962021_","","","","",NA,"ACH-001380"
-"PaCaDD-188","Pancreas","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M469","PaCaDD-18815972021_","","","","",NA,"ACH-001382"
-"PaTu 8902","Pancreas","","PA-TU-8902","","","PA-TU-8902","PATU8902","PA-TU-8902","","PA-TU-8902","PA-TU-8902","PA-TU-8902","","PATU8902","PA-TU-8902","PA-TU-8902","","PATU8902_PANCREAS","","pancreas","","","Pancreas","PANCREAS","pancreas","pancreas","","","","pancreas","pancreas","Pancreas","pancreas","PATU8902","pancreas","","","","pancreas","CVCL_1845","PATU8902_1236_2019","PA-TU-8902","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000599"
-"PaTu 8988s","Pancreas","","PA-TU-8988S","","","PA-TU-8988S","","","","PA-TU-8988S","PA-TU-8988S","","","PATU8988S","PA-TU-8988S","","","PATU8988S_PANCREAS","","pancreas","","","Pancreas","","","pancreas","","","","pancreas","pancreas","","","PATU8988S","pancreas","","","","pancreas","CVCL_1846","PATU8988S_1237_2019","","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000022"
-"PaTu 8988t","Pancreas","","PA-TU-8988T","","","PA-TU-8988T","","PA-TU-8988T","","PA-TU-8988T","PA-TU-8988T","PA-TU-8988T","","PATU8988T","PA-TU-8988T","PA-TU-8988T","","PATU8988T_PANCREAS","","pancreas","","","Pancreas","","Pancreas","pancreas","","","","pancreas","pancreas","","pancreas","PATU8988T","pancreas","","","","pancreas","CVCL_1847","PATU8988T_1238_2019","PA-TU-8988T","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000023"
-"Panc 02.03","Pancreas","","Panc 02.03","","","Panc 02.03","","PANC-02-03","","Panc_023","Panc_02.03","PANC-02-03","","PANC0203","Panc 02.03","PANC-02-03","","PANC0203_PANCREAS","","pancreas","","","Pancreas","","Pancreas","pancreas","","","","","pancreas","Pancreas","pancreas","PANC0203","pancreas","","","","pancreas","CVCL_1633","Panc02.03_1239_2019","PANC-02-03","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000042"
-"Panc 02.13","Pancreas","","Panc 02.13","","","","","","","Panc_02.13","Panc_02.13","","","","","","","","","pancreas","","","","","","pancreas","","","","","","","","","","","","","","CVCL_1634","Panc02.13_1240_2019","","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000031"
-"Panc 03.27","Pancreas","PANC-03-27","Panc 03.27","","","Panc 03.27","PANC0327","PANC-03-27","","Panc_03.27","Panc_03.27","PANC-03-27","","PANC0327","Panc 03.27","PANC-03-27","","PANC0327_PANCREAS","pancreas","pancreas","","","Pancreas","PANCREAS","Pancreas","pancreas","pancreas","","","","pancreas","Pancreas","pancreas","PANC0327","pancreas","","","","pancreas","CVCL_1635","Panc03.27_1241_2019","PANC-03-27","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000139"
-"Panc 04.03","Pancreas","","Panc 04.03","","","Panc 04.03","","PANC-04-03","","Panc_043","Panc_04.03","PANC-04-03","","PANC0403","Panc 04.03","PANC-04-03","","PANC0403_PANCREAS","","pancreas","","","Pancreas","","pancreas","pancreas","","","","","pancreas","Pancreas","pancreas","PANC0403","pancreas","","","","pancreas","CVCL_1636","Panc04.03_1242_2019","PANC-04-03","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000235"
-"Panc 05.04","Pancreas","","Panc 05.04","","","Panc 05.04","","","","Panc_054","Panc_05.04","","","PANC0504","Panc 05.04","","","","","pancreas","","","Pancreas","","","pancreas","","","","","pancreas","","","PANC0504","pancreas","","","","","CVCL_1637","Panc05.04_1243_2019","","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000093"
-"Panc 08.13","Pancreas","PANC-08-13","Panc 08.13","","","Panc 08.13","","PANC-08-13","","Panc_08.13","Panc_08.13","PANC-08-13","","PANC0813","Panc 08.13","PANC-08-13","","PANC0813_PANCREAS","pancreas","pancreas","","","Pancreas","","Pancreas","pancreas","pancreas","","","","pancreas","","pancreas","PANC0813","pancreas","","","","pancreas","CVCL_1638","Panc08.13_1244_2019","PANC-08-13","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000417"
-"Panc 10.05","Pancreas","PANC-10-05","Panc 10.05","","","","PANC1005","PANC-10-05","","Panc_10.05","Panc_10.05","PANC-10-05","","PANC1005","Panc 10.05","PANC-10-05","","PANC1005_PANCREAS","pancreas","pancreas","","","","PANCREAS","Pancreas","pancreas","pancreas","","","","pancreas","Pancreas","pancreas","PANC1005","pancreas","","","","pancreas","CVCL_1639","Panc10.05_1245_2019","PANC-10-05","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000060"
-"PeTa","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_LC73","PeTa16082021_","","","","",NA,"ACH-001170"
-"Peer","Lymphoid","","PEER","","","","","","","PEER","PEER","","","PEER","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_1913","PEER_1261_2019","","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000519"
-"Pfeiffer","Lymphoid","","Pfeiffer","","","Pfeiffer","","","","Pfeiffer","Pfeiffer","","","PFEIFFER","Pfeiffer","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_3326","Pfeiffer_1263_2019","","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000140"
-"PrEC LH","Prostate","","PrEC LH","","","","","","","","","","","","","","","","","prostate","","","","","","","","","","","","","","","","","","","","CVCL_V626","PrECLH_1276_2019","","prostate","","Transformed cell line",NA,"ACH-000170"
-"QGP-1","Pancreas","","QGP-1","","","QGP-1","QGP1","QGP-1","","QGP-1","QGP-1","QGP-1","","QGP1","QGP-1","QGP-1","","QGP1_PANCREAS","","pancreas","","","Pancreas","PANCREAS","Pancreas","pancreas","","","","pancreas","pancreas","Pancreas","pancreas","QGP1","pancreas","","","","pancreas","CVCL_3143","QGP1_1280_2019","QGP-1","pancreas","Pancreatic somatostatinoma","Cancer cell line",NA,"ACH-000347"
-"QIMR-WIL","Myeloid","QIMR-WIL","","","","","","QIMR-WIL","QIMR-WIL","","","QIMR-WIL","","","","QIMR-WIL","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1645","QIMRWIL_1281_2019","QIMR-WIL","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-002299"
-"RBE","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_4896","RBE16142021_","","","","",NA,"ACH-001856"
-"RC-K8","Lymphoid","","","","","RC-K8","","RC-K8","RC-K8","","","RC-K8","","","RC-K8","RC-K8","","","","","","","Blood","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1883","RCK8_1285_2019","RC-K8","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-001638"
-"RCC10RGB","Kidney","RCC10RGB","RCC10RGB","","","","RCC10RGB","RCC10RGB","","RCC10RGB","RCC10RGB","RCC10RGB","","RCC10RGB","","RCC10RGB","","RCC10RGB_KIDNEY","kidney","kidney","","","","KIDNEY","Kidney","kidney","kidney","","","kidney","kidney","","kidney","RCC10RGB","kidney","","","","kidney","CVCL_1647","RCC10RGB_1293_2019","RCC10RGB","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000189"
-"RCC4","Kidney","","RCC-4","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","kidney","","","","","","","","","","CVCL_0498","RCC4_1286_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-001175"
-"RCH-ACV","Lymphoid","","RCH-ACV","RCHACV","","","","RCH-ACV","","RCH-ACV","RCH-ACV","RCH-ACV","","RCHACV","","RCH-ACV","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1851","RCHACV_1294_2019","RCH-ACV","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia with t(1","Cancer cell line",NA,"ACH-000922"
-"RCM-1 [Human rectum adenocarcinoma]","Bowel","RCM-1","RCM-1","","","RCM-1","RCM1","RCM-1","","RCM-1","RCM-1","RCM-1","","RCM1","RCM-1","RCM-1","","RCM1_LARGE_INTESTINE","large_intestine","large_intestine","","","Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","RCM1","large_intestine","","","","colorectal","CVCL_1648","RCM1_1295_2019","RCM-1","large_intestine","Rectal adenocarcinoma","Cancer cell line",NA,"ACH-000565"
-"RD","Soft Tissue","RD","RD","RD","","","","RD","","RD","RD","RD","","RD","","RD","","RD_SOFT_TISSUE","soft_tissue","soft_tissue","muscle","","","","Muscle","soft_tissue","soft_tissue","","","soft_tissue","soft_tissue","","soft_tissue","RD","soft_tissue","","","","rhabdomyosarcoma","CVCL_1649","RD_1296_2019","RD","soft_tissue","Embryonal rhabdomyosarcoma","Cancer cell line",NA,"ACH-000169"
-"RD-ES","Bone","","RD-ES","RDES","","","","","","RD-ES","RD-ES","","","RDES","","","","","","bone","bone","","","","","bone","","","","bone","bone","","bone","","","","","","","CVCL_2169","RDES_1297_2019","","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000041"
-"REC-1","Lymphoid","","REC-1","REC1","","REC-1","","","","REC-1","REC-1","","","REC1","REC-1","","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Lymph Node","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_1884","REC1_1298_2019","","haematopoietic_and_lymphoid_tissue","Mantle cell lymphoma","Cancer cell line",NA,"ACH-000068"
-"RERF-GC-1B","Esophagus/Stomach","","RERF-GC-1B","","","RERF-GC-1B","","RERF-GC-1B","","RERF-GC-1B","RERF-GC-1B","RERF-GC-1B","","","RERF-GC-1B","RERF-GC-1B","","","","stomach","","","Stomach","","Stomach","stomach","","","","stomach","","Stomach","stomach","","","","","","","CVCL_3152","RERFGC1B_1300_2019","RERF-GC-1B","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000144"
-"RERF-LC-A1","Lung","","RERF-LC-AI","","","","","","","RERF-LC-AI","RERF-LC-AI","","","RERFLCAI","","","","RERFLCAI_LUNG","","lung","","","","","","lung","","","","lung","lung","","","RERFLCAI","lung","","","","lung","CVCL_4402","RERFLCAI_1303_2019","","lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000261"
-"RERF-LC-Ad1","Lung","","RERF-LC-Ad1","","","","","","","RERF-LC-Ad1","RERF-LC-Ad1","","","RERFLCAD1","","","","RERFLCAD1_LUNG","","lung","","","","","","lung","","","","lung","lung","","","RERFLCAD1","lung","","","","lung","CVCL_1651","RERFLCAd1_1301_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000791"
-"RERF-LC-Ad2","Lung","","RERF-LC-Ad2","","","","","","","RERF-LC-Ad2","RERF-LC-Ad2","","","RERFLCAD2","","","","RERFLCAD2_LUNG","","lung","","","","","","lung","","","","lung","lung","","","RERFLCAD2","lung","","","","lung","CVCL_1652","RERFLCAd2_1302_2019","","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000774"
-"RERF-LC-FM","Lung","RERF-LC-FM","","","","","","","","","","RERF-LC-FM","","","","RERF-LC-FM","","","lung","","","","","","","","","","","lung","","","lung","","","","","","","CVCL_1653","RERFLCFM_1304_2019","RERF-LC-FM","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002193"
-"RERF-LC-KJ","Lung","","RERF-LC-KJ","","","RERF-LC-KJ","RERFLCKJ","RERF-LC-KJ","","RERF-LC-KJ","RERF-LC-KJ","RERF-LC-KJ","","","RERF-LC-KJ","RERF-LC-KJ","","RERFLCKJ_LUNG","","lung","","","Lung","LUNG","Lung:NSCLC","lung","","","","lung","","","lung","","","","","","lung","CVCL_1654","RERFLCKJ_1305_2019","RERF-LC-KJ","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000482"
-"RERF-LC-MS","Lung","RERF-LC-MS","RERF-LC-MS","","","RERF-LC-MS","","RERF-LC-MS","","RERF-LC-MS","RERF-LC-MS","RERF-LC-MS","","RERFLCMS","RERF-LC-MS","RERF-LC-MS","","RERFLCMS_LUNG","lung","lung","","","Lung","","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","RERFLCMS","lung","","","","lung","CVCL_1655","RERFLCMS_1306_2019","RERF-LC-MS","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000062"
-"RERF-LC-OK","CNS/Brain","","","","","RERF-LC-OK","","","","","","","","","RERF-LC-OK","","","","","","","","Lung","","","","","","","lung","","","","","","","","","","CVCL_3154","RERFLCOK_1307_2019","","lung","Astrocytoma","Cancer cell line",NA,""
-"RERF-LC-Sq1","Lung","","RERF-LC-Sq1","","","","","RERF-LC-Sq1","","RERF-LC-Sq1","RERF-LC-Sq1","RERF-LC-Sq1","","","","RERF-LC-Sq1","","","","lung","","","","","Lung:NSCLC","lung","","","","lung","","","lung","","","","","","","CVCL_1656","RERFLCSq1_1308_2019","RERF-LC-Sq1","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000442"
-"RF-48","Lymphoid","RF-48","","","","","","RF-48","RF-48","","","RF-48","","","","RF-48","","","stomach","","","","","","Stomach","","","","","stomach","","","stomach","","","","","","","CVCL_1657","RF48_1309_2019","RF-48","stomach","Lymphoma","Cancer cell line",NA,"ACH-002301"
-"RH18DM","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","RH18DM16332021_","","","","",NA,"ACH-001790"
-"RKN","Soft Tissue","","RKN","","","RKN","RKN","RKN","","RKN","RKN","RKN","","RKN","RKN","RKN","","RKN_SOFT_TISSUE","","soft_tissue","","","Ovary","SOFT_TISSUE","Ovary","soft_tissue","","","","","soft_tissue","Ovary","soft_tissue","","","","","","soft_tissue","CVCL_3156","RKN_1315_2019","RKN","soft_tissue","Ovarian leiomyosarcoma","Cancer cell line",NA,"ACH-000505"
-"RKO","Bowel","RKO","RKO","RKO","","RKO","RKO","RKO","RKO","RKO","RKO","RKO","","RKO","RKO","RKO","","RKO_LARGE_INTESTINE","large_intestine","large_intestine","colon","","Colon","LARGE_INTESTINE","Intestin","large_intestine","","","","large_intestine","large_intestine","Colon","large_intestine","RKO","large_intestine","","","","colorectal","CVCL_0504","RKO_1316_2019","RKO","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000943"
-"RKO Waf1","","","","","","","","","","","","","","","","","RKO Waf1","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","RKO Waf116362021_","","","","",NA,""
-"RKO-E6","Bowel","","","RKOE6","","RKO-E6","","","","","","","","","RKO-E6","","","","","","colon","","Colon","","","","","","","large_intestine","","","","","","","","","","CVCL_3787","RKOE6_1317_2019","","large_intestine","Colon carcinoma","Cancer cell line",NA,""
-"RKOp53RE1","","","","","","","","","","","","","","","","","RKOp53RE1","","","","","","","","","","","","","","","","","","","","","Colon Cancer","","","RKOp53RE116382021_","","","","",NA,""
-"RL","Lymphoid","RL","RL","RL","","RL","","RL","","RL","RL","RL","","RL","RL","RL","RL","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Lymph Node","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","Lymphoma","","CVCL_1660","RL_1318_2019","RL","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000371"
-"RL95-2","Uterus","RL95-2","RL95-2","RL952","","","","RL95-2","","RL95-2","RL95-2","RL95-2","","RL952","RL95-2","RL95-2","","RL952_ENDOMETRIUM","endometrium","endometrium","uterus","","","","endometrium","endometrium","urogenital_system","","","endometrium","endometrium","Uterus","endometrium","RL952","endometrium","","","","uterus","CVCL_0505","RL952_1319_2019","RL95-2","endometrium","Endometrial adenosquamous carcinoma","Cancer cell line",NA,"ACH-000965"
-"RMG-I","Ovary/Fallopian Tube","RMG-I","RMG-I","","","RMG-I","RMGI","RMG-I","","RMG-I","RMG-I","RMG-I","","RMGI","RMG-I","RMG-I","","RMGI_OVARY","ovary","ovary","","","Ovary","OVARY","Ovary","ovary","urogenital_system","","","ovary","ovary","Ovary","ovary","","","RMGI///RMG1","ovary","","ovary","CVCL_1662","RMGI_1320_2019","RMG-I","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",TRUE,"ACH-000719"
-"RMS-13","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_UF98","RMS-1316422021_","","","","",NA,"ACH-001741"
-"RMUG-S","Ovary/Fallopian Tube","","RMUG-S","","","RMUG-S","RMUGS","","","RMUG-S","RMUG-S","","","","RMUG-S","","","RMUGS_OVARY","","ovary","","","Ovary","OVARY","","ovary","","","","ovary","","","","RMUGS","ovary","","","","ovary","CVCL_3158","RMUGS_1321_2019","","ovary","Ovarian mucinous cystadenocarcinoma","Cancer cell line",NA,"ACH-000701"
-"RMZ-RC2","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_L510","RMZ-RC216442021_","","","","",NA,"ACH-001743"
-"ROS-50","Lymphoid","","","","","","","ROS-50","ROS-50","","","ROS-50","","","","ROS-50","","","","","","","","","Blood","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1887","ROS50_1323_2019","ROS-50","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-001639"
-"RPE1-ss48","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","RPE1-ss4816462021_","","","","",NA,"ACH-002462"
-"RPE1-ss51","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","RPE1-ss5116472021_","","","","",NA,"ACH-002467"
-"RPE1-ss6","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","RPE1-ss616482021_","","","","",NA,"ACH-002464"
-"RPE1-ss77","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","RPE1-ss7716492021_","","","","",NA,"ACH-002463"
-"RPMI-2650","Head and Neck","RPMI-2650","","RPMI2650","","RPMI 2650","","RPMI-2650","RPMI-2650","","","RPMI-2650","","","RPMI 2650","RPMI-2650","","","upper_aerodigestive_tract","","head_and_neck","","Septum","","Head & Neck","","","","","upper_aerodigestive_tract","","Head and Neck","upper_aerodigestive_tract","","","","","","","CVCL_1664","RPMI2650_1324_2019","RPMI-2650","upper_aerodigestive_tract","Head and neck squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001385"
-"RPMI-6666","Lymphoid","RPMI-6666","RPMI 6666","RPMI6666","","","","RPMI-6666","RPMI-6666","","","RPMI-6666","","RPMI6666","","RPMI-6666","","","haematopoietic_and_lymphoid_tissue","","hematopoietic_and_lymphatic_system","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1665","RPMI6666_1325_2019","RPMI-6666","haematopoietic_and_lymphoid_tissue","","Transformed cell line",NA,"ACH-001182"
-"RPMI-7951","Skin","RPMI-7951","RPMI-7951","","","RPMI-7951","","RPMI-7951","","RPMI-7951","RPMI-7951","RPMI-7951","","RPMI7951","RPMI-7951","RPMI-7951","RPMI-7951","","skin","skin","","","Skin","","Skin","skin","skin","","","skin","skin","Skin","skin","","","","","Melanoma","","CVCL_1666","RPMI7951_1326_2019","RPMI-7951","skin","Melanoma","Cancer cell line",TRUE,"ACH-000348"
-"RPMI-8226","Lymphoid","RPMI-8226","RPMI 8226","RPMI8226","","RPMI 8226","RPMI8226","RPMI-8226","","RPMI_8226","RPMI_8226","RPMI-8226","","RPMI8226","RPMI 8226","RPMI-8226","RPMI-8226///LE.RPMI.8226","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","RPMI8226///RPMI","blood","Leukemia","","CVCL_0014","RPMI8226_1327_2019","RPMI-8226","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000817"
-"RPMI-8402","Lymphoid","RPMI-8402","RPMI-8402","","","","","RPMI-8402","","RPMI-8402","RPMI-8402","RPMI-8402","","RPMI8402","","RPMI-8402","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1667","RPMI8402_1328_2019","RPMI-8402","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000636"
-"RPMI-8866","Myeloid","RPMI-8866","","","","","","RPMI-8866","RPMI-8866","","","RPMI-8866","","","","RPMI-8866","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1668","RPMI8866_1329_2019","RPMI-8866","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Transformed cell line",NA,"ACH-002302"
-"RS-5","Pleura","","RS-5","","","","","","","RS-5","RS-5","","","","","","","","","pleura","","","","","","pleura","","","","","","","","","","","","","","CVCL_2182","RS5_1330_2019","","pleura","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,"ACH-000531"
-"RS4;11","Lymphoid","RS4-11","RS4;11","","","","","RS4-11","","RS4_11","RS4_11","RS4-11","","RS411","RS4;11","RS4-11","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0093","RS4;11_1331_2019","RS4-11","haematopoietic_and_lymphoid_tissue","Adult B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000874"
-"RT-112","Bladder/Urinary Tract","RT-112","RT-112","","","RT-112","","RT-112","","RT-112","RT-112","RT-112","","RT112","RT-112","RT-112","","RT112_URINARY_TRACT","urinary_tract","urinary_tract","","","Urinary Bladder","","Bladder","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","Urinary","urinary_tract","RT112","urinary_tract","","","","urinary_tract","CVCL_1670","RT112_1332_2019","RT-112","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000473"
-"RT-4","Bladder/Urinary Tract","RT4","RT4","","","RT4","RT4","RT4","","RT4","RT4","RT4","","RT4","RT4","RT4","","RT4_URINARY_TRACT","urinary_tract","urinary_tract","","","Urinary Bladder","URINARY_TRACT","Bladder","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","Urinary","urinary_tract","RT4","urinary_tract","","","","urinary_tract","CVCL_0036","RT4_1334_2019","RT4","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000242"
-"RT112/84","Bladder/Urinary Tract","","RT112/84","","","","","","","","","","","","","","","","","urinary_tract","","","","","","","","","","","","","","","","","","","","CVCL_2714","RT112/84_1333_2019","","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-001183"
-"RTSG","Uterus","RTSG","","","","","","","","","","","","","","","","","ovary","","","","","","","","","","","ovary","","","","","","","","","","","RTSG16612021_","","ovary","Endometrial adenocarcinoma","",NA,""
-"RVH-421","Skin","RVH-421","RVH-421","","","","","RVH-421","RVH-421","","","RVH-421","","RVH421","RVH-421","RVH-421","","RVH421_SKIN","skin","skin","","","","","Skin","","skin","","","skin","skin","Skin","skin","RVH421","skin","","","","skin","CVCL_1672","RVH421_1335_2019","RVH-421","skin","Melanoma","Cancer cell line",TRUE,"ACH-000614"
-"RVH421SKINFV1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","RVH421SKINFV116632021_","","","","",NA,"ACH-002461"
-"RWPE-1","Prostate","","","RWPE1","","","","RWPE-1","","","","","","","","","","","","","prostate","","","","Prostate","","","","","","","","prostate","","","","","","","CVCL_3791","RWPE1_1336_2019","","prostate","","Transformed cell line",NA,""
-"RWPE2-W99","Prostate","","","","","","","RWPE2-W99","","","","","","","","","","","","","","","","","Prostate","","","","","","","","prostate","","","","","","","CVCL_3793","RWPE2W99_1337_2019","","prostate","","Transformed cell line",NA,""
-"RXF 393L","Kidney","RXF393","","RXF393","","","","RXF393","RXF393","","","RXF393","","","","RXF393","RXF 393///RE.RXF.393","","kidney","","kidney","","","","Kidney","","kidney","","","kidney","","","kidney","","","","","Renal Cancer///Renal","","CVCL_1673","RXF393_1338_2019","RXF393","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002195"
-"RXF 486L","Kidney","","","","","","","","","","","","","","","","RXF 486L","","","","","","","","","","","","","","","","","","","","","Renal Cancer","","CVCL_D126","RXF 486L16672021_","","","Renal cell carcinoma","Cancer cell line",NA,""
-"RXF 631L","Kidney","","","","","","","","","","","","","","","","RXF-631","","","","","","","","","","","","","","","","","","","","","Renal Cancer","","CVCL_A780","RXF 631L16682021_","","","Renal cell carcinoma","Cancer cell line",NA,""
-"Raji","Lymphoid","Raji","Raji","RAJI","","RAJI","","Raji","","Raji","Raji","Raji","","RAJI","RAJI","Raji","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0511","Raji_1282_2019","Raji","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-000654"
-"Ramos","Lymphoid","","","","","RAMOS","","","","","","","","","RAMOS","","","","","","","","Blood","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_0597","RAMOS_1283_2019","","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-001636"
-"Ramos.2G6.4C10","Lymphoid","Ramos-2G6-4C10","","","","","","Ramos-2G6-4C10","Ramos-2G6-4C10","","","Ramos-2G6-4C10","","","","Ramos-2G6-4C10","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1646","Ramos2G64C10_1284_2019","Ramos-2G6-4C10","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-002300"
-"Reh","Lymphoid","REH","Reh","","","","","REH","","Reh","Reh","REH","","REH","Reh","REH","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1650","REH_1299_2019","REH","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000960"
-"Res256","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_DG09","Res25616732021_","","","","",NA,"ACH-001172"
-"Res262","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU83","Res26216742021_","","","","",NA,"ACH-001173"
-"Rh1","Bone","RH-1","","","","","","RH-1","RH-1","","","RH-1","","","","RH-1","","","soft_tissue","","","","","","Muscle","","soft_tissue","","","soft_tissue","","","soft_tissue","","","","","","","CVCL_1658","RH1_1310_2019","RH-1","soft_tissue","Ewing sarcoma","Cancer cell line",TRUE,"ACH-002194"
-"Rh18","Soft Tissue","RH-18","RH-18","","","","","RH-18","","RH-18","RH-18","RH-18","","RH18","","RH-18","","","soft_tissue","soft_tissue","","","","","Muscle","soft_tissue","soft_tissue","","","soft_tissue","soft_tissue","","soft_tissue","RH18","soft_tissue","","","","","CVCL_1659","RH18_1311_2019","RH-18","soft_tissue","Alveolar rhabdomyosarcoma","Cancer cell line",NA,"ACH-000689"
-"Rh28","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8752","Rh2816772021_","","","","",NA,"ACH-001740"
-"Rh30","Soft Tissue","SJRH30","RH-30///SJRH30","SJRH30","","SJCRH30","","SJRH30","SJRH30","RH-30","RH-30","SJRH30","","RH30","SJCRH30","SJRH30","","RH30_SOFT_TISSUE","soft_tissue","soft_tissue","muscle","","Skeletal Muscle","","Muscle","soft_tissue","soft_tissue","","","soft_tissue","soft_tissue","","soft_tissue","RH30","soft_tissue","","","","rhabdomyosarcoma","CVCL_0041","RH30_1312_2019","SJRH30","soft_tissue","Alveolar rhabdomyosarcoma","Cancer cell line",TRUE,"ACH-001189///ACH-000833"
-"Rh36","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_M599","Rh3616792021_","","","","",NA,"ACH-001751"
-"Rh4","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5916","Rh416802021_","","","","",NA,"ACH-001765"
-"Rh41","Soft Tissue","","RH-41","","","","","RH-41","","RH-41","RH-41","RH-41","","RH41","","RH-41","","","","soft_tissue","","","","","Muscle","soft_tissue","","","","soft_tissue","soft_tissue","","soft_tissue","RH41","soft_tissue","","","","","CVCL_2176","RH41_1313_2019","RH-41","soft_tissue","Alveolar rhabdomyosarcoma","Cancer cell line",NA,"ACH-000100"
-"RhJT","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU81","RhJT16822021_","","","","",NA,"ACH-001745"
-"Ri-1","Lymphoid","","RI-1","","","RI-1","","","","RI-1","RI-1","","","RI1","RI-1","","","","","haematopoietic_and_lymphoid_tissue","","","Lymph Node","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_1885","RI1_1314_2019","","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma activated B-cell type","Cancer cell line",NA,"ACH-000398"
-"S-117","Thyroid","S-117","S-117","","","","","S-117","","S-117","S-117","S-117","","","S-117","","","S117_THYROID","soft_tissue","soft_tissue","","","","","Thyroid","soft_tissue","thyroid","","","soft_tissue","","Thyroid","soft_tissue","","","","","","thyroid","CVCL_1674","S117_1339_2019","","soft_tissue","Thyroid gland sarcoma","Cancer cell line",NA,"ACH-000037"
-"SACC-83","Head and Neck","","","","","","","SACC-83","","","","","","","","","","","","","","","","","Head & Neck","","","","","","","","head_and_neck","","","","","","","CVCL_H589","SACC83_1341_2019","","head_and_neck","Salivary gland adenoid cystic carcinoma","Cancer cell line",NA,""
-"SALE","Other","","SALE","","","","","","","","","","","","","","","","","lung","","","","","","","","","","","","","","","","","","","","CVCL_WS60","SALE_1342_2019","","lung","","Transformed cell line",NA,"ACH-000064"
-"SAS","Head and Neck","SAS","","","","","","SAS","SAS","","","SAS","","","SAS","SAS","","","upper_aerodigestive_tract","","","","","","Head & Neck","","aero_digestive_tract","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_1675","SAS_1345_2019","SAS","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-002029"
-"SAT [Human HNSCC]","Head and Neck","","","","","","","SAT","SAT","","","SAT","","","SAT","SAT","","","","","","","","","Head & Neck","","","","","","","","head_and_neck","","","","","","","CVCL_3160","SAT_1346_2019","SAT","head_and_neck","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-001641"
-"SBC-1","Lung","SBC-1","","","","","","SBC-1","SBC-1","","","SBC-1","","","","SBC-1","","","lung","","","","","","Lung","","lung","","","lung","","","lung","","","","","","","CVCL_1676","SBC1_1347_2019","SBC-1","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-002196"
-"SBC-3","Lung","","","","","","","SBC-3","SBC-3","","","SBC-3","","","","SBC-3","","","","","","","","","Lung","","","","","lung","","","lung","","","","","","","CVCL_1678","SBC3_1348_2019","SBC-3","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002197"
-"SBC-5","Lung","SBC-5","SBC-5","","","","","SBC-5","","SBC-5","SBC-5","SBC-5","","SBC5","","SBC-5","","SBC5_LUNG","lung","lung","","","","","Lung","lung","lung","","","lung","lung","","lung","","","","","","lung","CVCL_1679","SBC5_1349_2019","SBC-5","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000670"
-"SCC-12","Skin","","","SCC12","","","","","","","","","","","","","","","","","head_and_neck","","","","","","","","","","","","","","","","","","","","SCC-1216922021_","","head_and_neck","Skin squamous cell carcinoma","",NA,""
-"SCC-13","Skin","","","SCC13","","","","","","","","","","","","","","","","","head_and_neck","","","","","","","","","","","","","","","","","","","","SCC-1316932021_","","head_and_neck","Skin squamous cell carcinoma","",NA,""
-"SCC-15","Head and Neck","SCC-15","SCC-15","SCC15","","SCC-15","","SCC-15","","SCC-15","SCC-15","SCC-15","","","SCC-15","SCC-15","","","upper_aerodigestive_tract","upper_aerodigestive_tract","head_and_neck","","Tongue","","Head & Neck","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","","","upper_aerodigestive_tract","","","","","","","CVCL_1681","SCC15_1352_2019","SCC-15","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000254"
-"SCC-25","Head and Neck","SCC-25","SCC-25","SCC25","","SCC-25","","SCC-25","","SCC-25","SCC-25","SCC-25","","SCC25","SCC-25","SCC-25","","SCC25_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","head_and_neck","","Tongue","","Head & Neck","upper_aerodigestive_tract","","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","upper_aerodigestive_tract","SCC25","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_1682","SCC25_1353_2019","SCC-25","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000188"
-"SCC-3","Lymphoid","SCC-3","","","","SCC-3","","SCC-3","SCC-3","","","SCC-3","","","SCC-3","SCC-3","","","haematopoietic_and_lymphoid_tissue","","","","Blood","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","Blood","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1683","SCC3_1354_2019","SCC-3","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-001642"
-"SCC-4","Head and Neck","SCC-4","SCC-4","SCC4","","","","SCC-4","","SCC-4","SCC-4","SCC-4","","SCC4","","SCC-4","","","upper_aerodigestive_tract","upper_aerodigestive_tract","head_and_neck","","","","Head & Neck","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","upper_aerodigestive_tract","","","","","","","CVCL_1684","SCC4_1355_2019","SCC-4","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000238"
-"SCC-9","Head and Neck","SCC-9","SCC-9","SCC9","","SCC-9","SCC9","SCC-9","","SCC-9","SCC-9","SCC-9","","SCC9","SCC-9","SCC-9","","","upper_aerodigestive_tract","upper_aerodigestive_tract","head_and_neck","","Tongue","UPPER_AERODIGESTIVE_TRACT","Head & Neck","upper_aerodigestive_tract","aero_digestive_tract","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","upper_aerodigestive_tract","SCC9","upper_aerodigestive_tract","","","","","CVCL_1685","SCC9_1356_2019","SCC-9","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000181"
-"SCCH-196","Bone","","","","","","","SCCH-196","","","","","","","","","","","","","","","","","Misc","","","","","bone","","","bone","","","","","","","CVCL_3161","SCCH196_1358_2019","","bone","Ewing sarcoma","Cancer cell line",NA,""
-"SCCH-26","Peripheral Nervous System","SCCH-26","","","","","","","","","","","","","","","","","autonomic_ganglia","","","","","","","","","","","autonomic_ganglia","","","","","","","","","","","SCCH-2617002021_","","autonomic_ganglia","Neuroblastoma","",NA,""
-"SCCOHT-1","Ovary/Fallopian Tube","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_VU69","SCCOHT-117012021_","","","","",NA,"ACH-001279"
-"SCH","Esophagus/Stomach","SCH","","","","","","SCH","SCH","","","SCH","","","","SCH","","","stomach","","","","","","Stomach","","digestive_system","","","stomach","","","stomach","","","","","","","CVCL_1687","SCH_1359_2019","SCH","stomach","Gastric choriocarcinoma","Cancer cell line",TRUE,"ACH-002198"
-"SCLC-21H","Lung","SCLC-21H","SCLC-21H","","","SCLC-21H","SCLC21H","","","SCLC-21H","SCLC-21H","","","SCLC21H","SCLC-21H","","","","lung","lung","","","Lung","LUNG","","lung","","","","lung","lung","Lung","lung","","","","","","","CVCL_0024","SCLC21H_1361_2019","","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000659"
-"SCLC-22H","Lung","","","","","SCLC-22H","","","","","","","","","SCLC-22H","","","","","","","","Lung","","","","","","","","","","","","","","","","","CVCL_2186","SCLC22H_1362_2019","","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001386"
-"SCMC-RM2","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_A667","SCMC-RM217052021_","","","","",NA,"ACH-001184"
-"SCS214","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_WU91","SCS21417062021_","","","","",NA,"ACH-001280"
-"SCaBER","Bladder/Urinary Tract","","SCaBER","SCABER","","","","SCaBER","","SCaBER","SCaBER","SCaBER","","SCABER","","","","SCABER_URINARY_TRACT","","urinary_tract","bladder","","","","Bladder","urinary_tract","","","","urinary_tract","urinary_tract","","urinary_tract","SCABER","urinary_tract","","","","urinary_tract","CVCL_3599","SCaBER_1351_2019","","urinary_tract","Bladder squamous cell carcinoma","Cancer cell line",NA,"ACH-000839"
-"SEKI","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3162","SEKI17082021_","","","","",NA,"ACH-001645"
-"SEM","Lymphoid","","SEM","SEM","","","","","","SEM","SEM","","","SEM","","","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_0095","SEM_1363_2019","","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000782"
-"SEMK2","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_S906","SEMK217102021_","","","","",NA,"ACH-001735"
-"SET-2","Myeloid","","Set-2","","","SET-2","","","Set2","Set-2","Set-2","Set2","","SET2","SET-2","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","","haematopoietic_and_lymphoid_tissue","","","","","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2187","Set2_1364_2019","","haematopoietic_and_lymphoid_tissue","Adult acute megakaryoblastic leukemia","Cancer cell line",NA,"ACH-000195"
-"SF126","CNS/Brain","SF126","SF126","","","","","SF126","","SF126","SF126","SF126","","SF126","","SF126","","SF126_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","SF126","central_nervous_system","","","","central_nervous_system","CVCL_1688","SF126_1366_2019","SF126","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000609"
-"SF172","CNS/Brain","","SF-172","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","","","","","","","","","","CVCL_V613","SF172_1365_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000887"
-"SF268","CNS/Brain","SF268","SF268","SF268","","SF268","","SF268","","SF268","SF268","SF268","","SF268","SF268","SF268","SF-268///CNS.SF.268","","central_nervous_system","","cns","","Brain","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","","Brain","central_nervous_system","SF268","","","","CNS Cancer///Central nervous system","","CVCL_1689","SF268_1367_2019","SF268","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000655"
-"SF295","CNS/Brain","SF295","SF-295","SF295","","","SF295","SF295","","SF-295","SF-295","SF295","","SF295","","SF295","SF-295///CNS.SF.295","SF295_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","cns","","","CENTRAL_NERVOUS_SYSTEM","Brain","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","SF295","central_nervous_system","","","CNS Cancer///Central nervous system","central_nervous_system","CVCL_1690","SF295_1368_2019","SF295","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000376"
-"SF539","CNS/Brain","SF539","SF539","SF539","","SF539","","SF539","","SF539","SF539","SF539","","SF539","SF539","SF539","SF-539///CNS.SF.539","SF539_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","","cns","","Brain","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","","Brain","central_nervous_system","SF539","","","","CNS Cancer///Central nervous system","central_nervous_system","CVCL_1691","SF539_1369_2019","SF539","central_nervous_system","Gliosarcoma","Cancer cell line",NA,"ACH-000273"
-"SF767","Cervix","","SF767","","","","","","","","","","","","","","SF-767","","","central_nervous_system","","","","","","","","","","central_nervous_system","","","","","","","","CNS Cancer","","CVCL_6950","SF767_1370_2019","","central_nervous_system","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000490"
-"SF8657","Skin","","SF8657","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_K085","SF8657_1371_2019","","skin","","Finite cell line",NA,"ACH-001187"
-"SG231","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_0519","SG23117192021_","","","","",NA,"ACH-001857"
-"SH-10-TC","Esophagus/Stomach","","SH-10-TC","","","","SH10TC","","","SH-10-TC","SH-10-TC","","","SH10TC","","","","SH10TC_STOMACH","","stomach","","","","STOMACH","","stomach","","","","stomach","stomach","","","SH10TC","stomach","","","","gastric","CVCL_5167","SH10TC_1372_2019","","stomach","Mucinous gastric adenocarcinoma","Cancer cell line",NA,"ACH-000764"
-"SH-4","Skin","SH-4","SH-4","SH4","","","","SH-4","","SH-4","SH-4","SH-4","","SH4","","SH-4","","SH4_SKIN","skin","skin","skin","","","","Skin","skin","skin","","","skin","skin","","skin","","","","","","skin","CVCL_1692","SH4_1373_2019","SH-4","skin","Melanoma","Cancer cell line",TRUE,"ACH-000441"
-"SH-SY5Y","Peripheral Nervous System","","SH-SY5Y","","","","","","","","","","","","","","","","","autonomic_ganglia","","","","","","","","","","autonomic_ganglia","","","","","","","","","","CVCL_0019","SHSY5Y_1374_2019","","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-001188"
-"SHI-1","Myeloid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2191","SHI-117232021_","","","","",NA,"ACH-001647"
-"SHP-77","Lung","SHP-77","SHP-77","SHP77","","","SHP77","SHP-77","","SHP-77","SHP-77","SHP-77","","SHP77","","SHP-77","","","lung","lung","lung","","","LUNG","Lung","lung","lung","","","lung","lung","","lung","SHP77","lung","","","","","CVCL_1693","SHP77_1375_2019","SHP-77","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000790"
-"SIG-M5","Myeloid","SIG-M5","SIG-M5","","","SIG-M5","","SIG-M5","","SIG-M5","SIG-M5","SIG-M5","","SIGM5","SIG-M5","SIG-M5","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","SIGM5","blood","","","CVCL_1694","SIGM5_1376_2019","SIG-M5","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000112"
-"SJNB-10","Peripheral Nervous System","NB10","","","","","","NB10","NB10","","","NB10","","","","NB10","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1441","NB10_985_2019","NB10","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002278"
-"SJNB-12","Peripheral Nervous System","NB12","","","","","","NB12","NB12","","","NB12","","","","NB12","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1442","NB12_986_2019","NB12","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-002279"
-"SJNB-13","Peripheral Nervous System","NB13","","","","","","NB13","NB13","","","NB13","","","","NB13","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1443","NB13_987_2019","NB13","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002280"
-"SJNB-14","Peripheral Nervous System","NB14","","","","","","NB14","NB14","","","NB14","","","","NB14","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1444","NB14_988_2019","NB14","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002281"
-"SJNB-17","Peripheral Nervous System","NB17","","","","","","NB17","NB17","","","NB17","","","","NB17","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1445","NB17_989_2019","NB17","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002282"
-"SJNB-5","Peripheral Nervous System","NB5","","","","","","NB5","NB5","","","NB5","","","","NB5","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_8822","NB5_991_2019","NB5","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-002283"
-"SJNB-6","Peripheral Nervous System","NB6","","","","","","NB6","NB6","","","NB6","","","","NB6","","","autonomic_ganglia","","","","","","autonomic_ganglia","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_8823","NB6_992_2019","NB6","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002284"
-"SJNB-7","Peripheral Nervous System","NB7","","","","","","NB7","NB7","","","NB7","","","","NB7","","","autonomic_ganglia","","","","","","PNS","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_8824","NB7_994_2019","NB7","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002285"
-"SJSA-1","Bone","SJSA-1","SJSA-1","SJSA1","","","","SJSA-1","","SJSA-1","SJSA-1","SJSA-1","","SJSA1","SJSA-1","SJSA-1","","SJSA1_BONE","bone","bone","bone","","","","bone","bone","bone","","","bone","bone","","bone","SJSA1","bone","","","","bone","CVCL_1697","SJSA1_1382_2019","SJSA-1","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000748"
-"SK-BR-3","Breast","","SK-BR-3","SKBR3","SKBR3","SK-BR-3","","","","SK-BR-3","SK-BR-3","","skbr3","SKBR3","SK-BR-3","","SK-BR-3","","","breast","breast","breast","Breast","","","breast","","SKBR3","breast","breast","breast","Breast","","SKBR3","breast","SKBR3","breast","Breast Cancer","","CVCL_0033","SKBR3_1383_2019","","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000017"
-"SK-BR-5","Breast","","","","","","","","","","","","skbr5","","","","","","","","","","","","","","","SKBR5","breast","breast","","","","","","","","","","CVCL_5217","SKBR5_1384_2019","","breast","Breast carcinoma","Cancer cell line",NA,"ACH-002329"
-"SK-BR-7","Breast","","","","","","","","","","","","skbr7","","","","","","","","","","","","","","","SKBR7","breast","breast","","","","","","","","","","CVCL_5218","SKBR7_1385_2019","","breast","Breast carcinoma","Cancer cell line",NA,"ACH-002330"
-"SK-CO-1","Bowel","SK-CO-1","SK-CO-1","","","SK-CO-1","SKCO1","SK-CO-1","","SK-CO-1","SK-CO-1","SK-CO-1","","SKCO1","SK-CO-1","SK-CO-1","","","large_intestine","large_intestine","","","Colon","LARGE_INTESTINE","large_intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","SKCO1","large_intestine","","","","","CVCL_0626","SKCO1_1386_2019","SK-CO-1","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000400"
-"SK-ES-1","Bone","","SK-ES-1","","","","","SK-ES-1","","SK-ES-1","SK-ES-1","SK-ES-1","","SKES1","","SK-ES-1","","SKES1_BONE","","bone","","","","","Bone","bone","","","","bone","bone","","bone","SKES1","bone","","","","bone","CVCL_0627","SKES1_1387_2019","SK-ES-1","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000087"
-"SK-GT-2","Esophagus/Stomach","","","","","","","SK-GT-2","SK-GT-2","","","SK-GT-2","","","","SK-GT-2","","","","","","","","","Esophagus","","","","","","","","esophagus","","","","","","","CVCL_2194","SKGT2_1388_2019","SK-GT-2","oesophagus","Gastric fundus carcinoma","Cancer cell line",NA,"ACH-001653"
-"SK-GT-4","Esophagus/Stomach","","","","","","","SK-GT-4","SK-GT-4","","","SK-GT-4","","","","SK-GT-4","","","","","","","","","Esophagus","","","","","oesophagus","","","oesophagus","","","","","","","CVCL_2195","SKGT4_1389_2019","SK-GT-4","oesophagus","Esophageal adenocarcinoma","Cancer cell line",NA,"ACH-001654"
-"SK-HEP-1","Liver","SK-HEP-1","SK-HEP-1","","","","","SK-HEP-1","","SK-HEP-1","SK-HEP-1","SK-HEP-1","","SKHEP1","SK-HEP-1","SK-HEP-1","","SKHEP1_LIVER","liver","liver","","","","","Liver","liver","digestive_system","","","liver","liver","Liver","liver","SKHEP1","liver","","","","liver","CVCL_0525","SKHEP1_1390_2019","SK-HEP-1","liver","Hepatocellular carcinoma","Cancer cell line",TRUE,"ACH-000361"
-"SK-LMS-1","Soft Tissue","SK-LMS-1","SK-LMS-1","SKLMS1","","","","SK-LMS-1","","SK-LMS-1","SK-LMS-1","SK-LMS-1","","SKLMS1","","SK-LMS-1","","","soft_tissue","soft_tissue","vulva","","","","Misc","soft_tissue","soft_tissue","","","soft_tissue","soft_tissue","","soft_tissue","SKLMS1","soft_tissue","","","","","CVCL_0628","SKLMS1_1391_2019","SK-LMS-1","soft_tissue","Vulvar leiomyosarcoma","Cancer cell line",NA,"ACH-000145"
-"SK-LU-1","Lung","SK-LU-1","SK-LU-1","","","","SKLU1","SK-LU-1","","SK-LU-1","SK-LU-1","SK-LU-1","","SKLU1","","SK-LU-1","","SKLU1_LUNG","lung","lung","","","","LUNG","Lung:NSCLC","lung","lung","","","lung","lung","","lung","SKLU1","lung","","","","lung","CVCL_0629","SKLU1_1392_2019","SK-LU-1","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000309"
-"SK-MEL-1","Skin","SK-MEL-1","SK-MEL-1","SKMEL1","","SK-MEL-1","SKMEL1","SK-MEL-1","","SK-MEL-1","SK-MEL-1","SK-MEL-1","","SKMEL1","SK-MEL-1","SK-MEL-1","","","skin","skin","skin","","Skin","SKIN","Skin","skin","skin","","","skin","skin","Skin","skin","","","","","","","CVCL_0068","SKMEL1_1393_2019","SK-MEL-1","skin","Melanoma","Cancer cell line",TRUE,"ACH-000465"
-"SK-MEL-19","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6025","SK-MEL-1917462021_","","","","",NA,"ACH-002005"
-"SK-MEL-2","Skin","SK-MEL-2","SK-MEL-2","","","SK-MEL-2","","SK-MEL-2","SK-MEL-2","","","SK-MEL-2","","SKMEL2","SK-MEL-2","SK-MEL-2","SK-MEL-2///ME.SK.MEL.2","SKMEL2_SKIN","skin","skin","","","Skin","","skin","","skin","","","skin","skin","Skin","skin","SKMEL2","skin","","","Melanoma","skin","CVCL_0069","SKMEL2_1394_2019","SK-MEL-2","skin","Melanoma","Cancer cell line",TRUE,"ACH-001190"
-"SK-MEL-23","Skin","","","","","SK23","","","","","","","","","SK23","","","","","","","","Skin","","","","","","","","","","","","","","","","","CVCL_6027","SK23_1416_2019","","skin","Cutaneous melanoma","Cancer cell line",NA,""
-"SK-MEL-24","Skin","SK-MEL-24","SK-MEL-24","","","SK-MEL-24","","SK-MEL-24","","SK-MEL-24","SK-MEL-24","SK-MEL-24","","SKMEL24","SK-MEL-24","SK-MEL-24","","SKMEL24_SKIN","skin","skin","","","Skin","","Skin","skin","skin","","","skin","skin","Skin","skin","SKMEL24","skin","","","","skin","CVCL_0599","SKMEL24_1395_2019","SK-MEL-24","skin","Melanoma","Cancer cell line",TRUE,"ACH-000822"
-"SK-MEL-28","Skin","SK-MEL-28","SK-MEL-28","SKMEL28","","SK-MEL-28","SKMEL28","SK-MEL-28","","SK-MEL-28","SK-MEL-28","SK-MEL-28","","SKMEL28","SK-MEL-28","SK-MEL-28","SK-MEL-28///ME.SK.MEL.28","","haematopoietic_and_lymphoid_tissue","skin","skin","","Skin","SKIN","Skin","haematopoietic_and_lymphoid_tissue","skin","","","haematopoietic_and_lymphoid_tissue","skin","Skin","haematopoietic_and_lymphoid_tissue","SKMEL28","skin","","","Melanoma","","CVCL_0526","SKMEL28_1396_2019","SK-MEL-28","haematopoietic_and_lymphoid_tissue","Cutaneous melanoma","Cancer cell line",NA,"ACH-000615"
-"SK-MEL-3","Skin","SK-MEL-3","SK-MEL-3","SKMEL3","","SK-MEL-3","","SK-MEL-3","","SK-MEL-3","SK-MEL-3","SK-MEL-3","","SKMEL3","SK-MEL-3","SK-MEL-3","","SKMEL3_SKIN","skin","skin","skin","","Skin","","Skin","skin","skin","","","skin","skin","Skin","skin","SKMEL3","skin","","","","skin","CVCL_0550","SKMEL3_1397_2019","SK-MEL-3","skin","Cutaneous melanoma","Cancer cell line",TRUE,"ACH-000423"
-"SK-MEL-30","Skin","SK-MEL-30","SK-MEL-30","","","SK-MEL-30","","SK-MEL-30","","SK-MEL-30","SK-MEL-30","SK-MEL-30","","SKMEL30","SK-MEL-30","SK-MEL-30","","SKMEL30_SKIN","skin","skin","","","Skin","","Skin","skin","skin","","","skin","skin","Skin","skin","SKMEL30","skin","","","","skin","CVCL_0039","SKMEL30_1398_2019","SK-MEL-30","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000810"
-"SK-MEL-31","Skin","","SK-MEL-31","","","SK-MEL-31","","SK-MEL-31","","SK-MEL-31","SK-MEL-31","SK-MEL-31","","SKMEL31","SK-MEL-31","SK-MEL-31","","","","skin","","","Skin","","Skin","skin","","","","skin","skin","","skin","","","","","","","CVCL_0600","SKMEL31_1399_2019","SK-MEL-31","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000640"
-"SK-MEL-5","Skin","SK-MEL-5","SK-MEL-5","","","SK-MEL-5","SKMEL5","SK-MEL-5","","SK-MEL-5","SK-MEL-5","SK-MEL-5","","SKMEL5","SK-MEL-5","SK-MEL-5","SK-MEL-5///ME.SK.MEL.5","SKMEL5_SKIN","skin","skin","","","Skin","SKIN","Skin","skin","skin","","","skin","skin","","skin","SKMEL5","skin","","","Melanoma","skin","CVCL_0527","SKMEL5_1400_2019","SK-MEL-5","skin","Cutaneous melanoma","Cancer cell line",TRUE,"ACH-000730"
-"SK-MES-1","Lung","SK-MES-1","SK-MES-1","SKMES1","","SK-MES-1","","SK-MES-1","","SK-MES-1","SK-MES-1","SK-MES-1","","SKMES1","SK-MES-1","SK-MES-1","","SKMES1_LUNG","lung","lung","lung","","Lung","","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","","","","","","lung","CVCL_0630","SKMES1_1401_2019","SK-MES-1","lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000665"
-"SK-MG-1","CNS/Brain","SK-MG-1","","","","","","SK-MG-1","SK-MG-1","","","SK-MG-1","","","","SK-MG-1","","","central_nervous_system","","","","","","CNS","","nervous_system","","","central_nervous_system","","","central_nervous_system","","","","","","","CVCL_1698","SKMG1_1402_2019","SK-MG-1","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-002304"
-"SK-MM-2","Lymphoid","SK-MM-2","SK-MM-2","","","SK-MM-2","","SK-MM-2","","SK-MM-2","SK-MM-2","SK-MM-2","","SKMM2","SK-MM-2","SK-MM-2","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1699","SKMM2_1403_2019","SK-MM-2","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000363"
-"SK-N-AS","Peripheral Nervous System","SK-N-AS","SK-N-AS","SKNAS","","SK-N-AS","","SK-N-AS","","SK-N-AS","SK-N-AS","SK-N-AS","","SKNAS","SK-N-AS","SK-N-AS","","SKNAS_AUTONOMIC_GANGLIA","autonomic_ganglia","autonomic_ganglia","central_nervous_system","","Brain","","Brain","autonomic_ganglia","nervous_system","","","autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","SKNAS","autonomic_ganglia","","","","peripheral_nervous_system","CVCL_1700","SKNAS_1404_2019","SK-N-AS","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000260"
-"SK-N-BE(2)","Peripheral Nervous System","","SK-N-BE(2)","","","","","","","SK-N-BE_2_","SK-N-BE_2_","","","SKNBE2","SK-N-BE(2)","","","SKNBE2_AUTONOMIC_GANGLIA","","autonomic_ganglia","","","","","","autonomic_ganglia","","","","","autonomic_ganglia","Brain","","SKNBE2","","","","","peripheral_nervous_system","CVCL_0528","SKNBE(2)_1405_2019","","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000312"
-"SK-N-BE(2)-C","Peripheral Nervous System","","","BE2C","","","","","","","","","","","","","","","","","brain","","","","","","","","","","","","","","","","","","","CVCL_0529","SK-N-BE(2)-C17602021_","","brain","Neuroblastoma","Cancer cell line",TRUE,""
-"SK-N-BE(2)-M17","Peripheral Nervous System","","","","","","","BE2-M17","BE2-M17","","","BE2-M17","","","","BE2-M17","","","","","","","","","Brain","","","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_0167","BE2M17_85_2019","BE2-M17","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-002217"
-"SK-N-DZ","Peripheral Nervous System","SK-N-DZ","SK-N-DZ","SKNDZ","","SK-N-DZ","","SK-N-DZ","","SK-N-DZ","SK-N-DZ","SK-N-DZ","","SKNDZ","SK-N-DZ","SK-N-DZ","","","autonomic_ganglia","autonomic_ganglia","brain","","Brain","","Brain","autonomic_ganglia","nervous_system","","","autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","","","","","","","CVCL_1701","SKNDZ_1406_2019","SK-N-DZ","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000366"
-"SK-N-FI","Peripheral Nervous System","SK-N-FI","SK-N-FI","SKNF1","","SK-N-FI","","SK-N-FI","","SK-N-FI","SK-N-FI","SK-N-FI","","SKNFI","SK-N-FI","SK-N-FI","","","autonomic_ganglia","autonomic_ganglia","central_nervous_system","","Brain","","Brain","autonomic_ganglia","nervous_system","","","autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","SKNFI","autonomic_ganglia","","","","","CVCL_1702","SKNFI_1407_2019","SK-N-FI","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000341"
-"SK-N-MC","CNS/Brain","","SK-N-MC","","","","","","","SK-N-MC","SK-N-MC","","","SKNMC","","","","","","bone","","","","","","bone","","","","bone","bone","","","SKNMC","bone","","","","","CVCL_0530","SKNMC_1408_2019","","bone","Askin tumor","Cancer cell line",TRUE,"ACH-000039"
-"SK-N-MC-IXC","CNS/Brain","MC-IXC","","MCIXC","","","","","MC-IXC","","","MC-IXC","","","MC-IXC","MC-IXC","","","autonomic_ganglia","","central_nervous_system","","","","","","nervous_system","","","autonomic_ganglia","","Brain","autonomic_ganglia","","","","","","","CVCL_1398","MCIXC_886_2019","MC-IXC","autonomic_ganglia","Askin tumor","Cancer cell line",TRUE,"ACH-002160"
-"SK-N-SH","Peripheral Nervous System","","SK-N-SH","","","SK-N-SH","","SK-N-SH","SK-N-SH","","","SK-N-SH","","SKNSH","SK-N-SH","SK-N-SH","","","","autonomic_ganglia","","","Brain","","Brain","","","","","autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","SKNSH","autonomic_ganglia","","","","","CVCL_0531","SKNSH_1409_2019","SK-N-SH","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000149"
-"SK-NEP-1","Bone","SK-NEP-1","SKNEP1","SKNEP1","","","","SK-NEP-1","SK-NEP-1","","","SK-NEP-1","","","","","","","bone","","kidney","","","","Kidney","","kidney","","","bone","","","bone","","","","","","","CVCL_0631","SKNEP1_1410_2019","","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-001192"
-"SK-OV-3","Ovary/Fallopian Tube","SK-OV-3","SK-OV-3","SKOV3","","SK-OV-3","SKOV3","SK-OV-3","","SK-OV-3","SK-OV-3","SK-OV-3","","SKOV3","SK-OV-3","SK-OV-3","SK-OV-3///OV.SK.OV.3","SKOV3_OVARY","ovary","ovary","ovary","","Ovary","OVARY","Ovary","ovary","urogenital_system","","","ovary","ovary","Ovary","ovary","SKOV3","ovary","SKOV3","ovary","Ovarian Cancer///Ovarian","ovary","CVCL_0532","SKOV3_1411_2019","SK-OV-3","ovary","Ovarian serous cystadenocarcinoma","Cancer cell line",TRUE,"ACH-000811"
-"SK-PN-DW","CNS/Brain","SK-PN-DW","SKPNDW","","","","","SK-PN-DW","SK-PN-DW","","","SK-PN-DW","","","","SK-PN-DW","","","bone","","","","","","Bone","","bone","","","bone","","","bone","","","","","","","CVCL_1703","SKPNDW_1412_2019","SK-PN-DW","bone","Primitive neuroectodermal tumor","Cancer cell line",NA,"ACH-001193"
-"SK-RC-20","Kidney","","SK-RC-20","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","","","","","","","","","","","CVCL_V605","SKRC20_1414_2019","","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000385"
-"SK-RC-31","Kidney","","SK-RC 31","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","","","","","","","","","","","CVCL_6186","SKRC31_1413_2019","","kidney","Renal cell carcinoma","Cancer cell line",TRUE,"ACH-001194"
-"SK-UT-1","Uterus","SK-UT-1","SK-UT-1","SKUT1","","","","SK-UT-1","","SK-UT-1","SK-UT-1","SK-UT-1","","SKUT1","","SK-UT-1","","SKUT1_SOFT_TISSUE","soft_tissue","soft_tissue","uterus","","","","Muscle","soft_tissue","soft_tissue","","","soft_tissue","soft_tissue","","soft_tissue","SKUT1","soft_tissue","","","","soft_tissue","CVCL_0533","SKUT1_1415_2019","SK-UT-1","soft_tissue","Uterine corpus leiomyosarcoma","Cancer cell line",NA,"ACH-000939"
-"SKG-I","Cervix","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2793","SKG-I17732021_","","","","",NA,"ACH-001651"
-"SKG-II","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2794","SKG-II17742021_","","","","",NA,"ACH-001652"
-"SKG-IIIa","Cervix","SKG-IIIa","","","","","","SKG-IIIa","SKG-IIIa","","","SKG-IIIa","","","SKG-IIIa","SKG-IIIa","","","cervix","","","","","","Cervix","","urogenital_system","","","cervix","","Cervix","cervix","","","","","","","CVCL_1704","SKGIIIa_1417_2019","SKG-IIIa","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-002020"
-"SKM-1","Myeloid","SKM-1","SKM-1","","","SKM-1","SKM1","SKM-1","","SKM-1","SKM-1","SKM-1","","SKM1","SKM-1","SKM-1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue","","","SKM1","blood","","","CVCL_0098","SKM1_1418_2019","SKM-1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000373"
-"SKN","Other","","","","","","","SKN","SKN","","","SKN","","","","SKN","","","","","","","","","Uterus","","","","","soft_tissue","","","soft_tissue","","","","","","","CVCL_3167","SKN_1419_2019","SKN","soft_tissue","Uterine corpus leiomyosarcoma","Cancer cell line",NA,"ACH-001655"
-"SKN-3","Head and Neck","","","","","","","SKN-3","SKN-3","","","SKN-3","","","SKN-3","SKN-3","","","","","","","","","Head & Neck","","","","","","","","head_and_neck","","","","","","","CVCL_3168","SKN3_1420_2019","SKN-3","head_and_neck","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-002305"
-"SKNO-1","Myeloid","","SKNO-1","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","CVCL_2196","SKNO-117792021_","","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia with maturation","",NA,"ACH-001656"
-"SKO-007","Lymphoid","","","SKO007","","","","","","","","","","","","","","","","","hematopoietic_and_lymphatic_system","","","","","","","","","","","","","","","","","","","","SKO-00717802021_","","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","",NA,""
-"SLR20","Bladder/Urinary Tract","","SLR 20","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","","","","","","","","","","","CVCL_V606","SLR20_1421_2019","","kidney","Bladder carcinoma","Cancer cell line",NA,"ACH-000127"
-"SLR21","Kidney","","SLR 21","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","","","","","","","","","","","CVCL_V607","SLR21_1422_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",TRUE,"ACH-000016"
-"SLR23","Kidney","","SLR 23","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","","","","","","","","","","","CVCL_V609","SLR23_1423_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",TRUE,"ACH-000246"
-"SLR24","Kidney","","SLR 24","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","","","","","","","","","","","CVCL_V610","SLR24_1424_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000272"
-"SLR25","Kidney","","SLR 25","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","","","","","","","","","","","CVCL_V611","SLR25_1425_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",TRUE,"ACH-000300"
-"SLR26","Kidney","","SLR 26","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","","","","","","","","","","","CVCL_V612","SLR26_1426_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000600"
-"SMS-CTR","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_A770","SMS-CTR17872021_","","","","",NA,"ACH-001196"
-"SMS-KCNR","Peripheral Nervous System","","","","","","","","","","","","","","","","SMS-KCNR","","","","","","","","","","","","","","","","","","","","","CNS Cancer","","CVCL_7134","SMS-KCNR17882021_","","","Neuroblastoma","Cancer cell line",TRUE,""
-"SMZ-1","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_RL84","SMZ-117892021_","","","","",NA,"ACH-001197"
-"SN12C","Kidney","SN12C","","SN12C","","","","SN12C","SN12C","","","SN12C","","","","SN12C","SN12C///RE.SN12C","","kidney","","kidney","","","","Kidney","","kidney","","","kidney","","","kidney","","","","","Renal Cancer///Renal","","CVCL_1705","SN12C_1428_2019","SN12C","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002199"
-"SN12K1","Kidney","","","","","","","","","","","","","","","","SN12K1","","","","","","","","","","","","","","","","","","","","","Renal Cancer","","CVCL_D106","SN12K117912021_","","","Renal cell carcinoma","Cancer cell line",NA,""
-"SNB-19","CNS/Brain","SNB19","SNB-19","SNB19","","","","","","","","","","","","","SNB-19///CNS.SNB.19","","central_nervous_system","central_nervous_system","central_nervous_system","","","","","","","","","central_nervous_system","","","","","","","","CNS Cancer///Central nervous system","","CVCL_0535","SNB19_1429_2019","","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-001198"
-"SNB-75","CNS/Brain","SNB75","SNB75","SNB75","","","","SNB75","","SNB75","SNB75","SNB75","","SNB75","","SNB75","SNB-75///CNS.SNB.75","SNB75_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","","cns","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","","","central_nervous_system","SNB75","","","","CNS Cancer///Central nervous system","central_nervous_system","CVCL_1706","SNB75_1430_2019","SNB75","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000504"
-"SNB-78","CNS/Brain","","","","","","","","","","","","","","","","SNB-78","","","","","","","","","","","","","","","","","","","","","CNS Cancer","","CVCL_B321","SNB-7817942021_","","","Glioblastoma","Cancer cell line",NA,""
-"SNG-M","Uterus","SNG-M","SNG-M","","","","SNGM","SNG-M","","SNG-M","SNG-M","SNG-M","","SNGM","SNG-M","SNG-M","","SNGM_ENDOMETRIUM","endometrium","endometrium","","","","ENDOMETRIUM","endometrium","endometrium","","","","endometrium","endometrium","Uterus","endometrium","SNGM","endometrium","","","","uterus","CVCL_1707","SNGM_1431_2019","SNG-M","endometrium","Endometrial adenocarcinoma","Cancer cell line",TRUE,"ACH-000974"
-"SNU-1","Esophagus/Stomach","NCI-SNU-1","SNU-1","SNU1","","SNU-1","","NCI-SNU-1","NCI-SNU-1","SNU-1","SNU-1","NCI-SNU-1///SNU-1","","SNU1","NCI-SNU-1///SNU-1","NCI-SNU-1","","","stomach","stomach","stomach","","Stomach","","Stomach","stomach","digestive_system","","","stomach","stomach","","stomach","","","","","","","CVCL_0099","NCISNU1_1152_2019","NCI-SNU-1","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000932"
-"SNU-1033","Bowel","","SNU-1033","","","","","","","SNU-1033","SNU-1033","","","SNU1033","","","","","","large_intestine","","","","","","large_intestine","","","","large_intestine","large_intestine","","","SNU1033","large_intestine","","","","","CVCL_5002","SNU1033_1433_2019","","large_intestine","Rectal adenocarcinoma","Cancer cell line",NA,"ACH-000286"
-"SNU-1040","Bowel","","SNU-1040","","","","SNU1040","SNU-1040","","SNU-1040","SNU-1040","SNU-1040","","","","SNU-1040","","","","large_intestine","","","","LARGE_INTESTINE","large_intestine","large_intestine","","","","large_intestine","","","large_intestine","","","","","","","CVCL_5003","SNU1040_1434_2019","SNU-1040","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000999"
-"SNU-1041","Head and Neck","","SNU-1041","","","","","","","SNU-1041","SNU-1041","","","SNU1041","","","","SNU1041_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","SNU1041","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_L085","SNU1041_1435_2019","","upper_aerodigestive_tract","Hypopharyngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000618"
-"SNU-1066","Head and Neck","","SNU-1066","","","","","","","SNU-1066","SNU-1066","","","SNU1066","","","","SNU1066_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","","SNU1066","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_5005","SNU1066_1436_2019","","upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000682"
-"SNU-1076","Head and Neck","","SNU-1076","","","","","","","SNU-1076","SNU-1076","","","SNU1076","SNU-1076","","","SNU1076_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","","","","","","","upper_aerodigestive","CVCL_5006","SNU1076_1437_2019","","upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000549"
-"SNU-1077","Uterus","","SNU-1077","","","","","","","SNU-1077","SNU-1077","","","SNU1077","","","","SNU1077_ENDOMETRIUM","","endometrium","","","","","","endometrium","","","","","endometrium","","","SNU1077","endometrium","","","","uterus","CVCL_5007","SNU1077_1438_2019","","endometrium","Uterine carcinosarcoma","Cancer cell line",NA,"ACH-000302"
-"SNU-1079","Biliary Tract","","SNU-1079","","","","","","","SNU-1079","SNU-1079","","","SNU1079","","","","SNU1079_BILIARY_TRACT","","biliary_tract","","","","","","biliary_tract","","","","biliary_tract","biliary_tract","","","","","","","","bile_duct","CVCL_5008","SNU1079_1439_2019","","biliary_tract","Intrahepatic cholangiocarcinoma","Cancer cell line",NA,"ACH-000209"
-"SNU-1105","CNS/Brain","","SNU-1105","","","","","","","SNU-1105","SNU-1105","","","SNU1105","","","","SNU1105_CENTRAL_NERVOUS_SYSTEM","","central_nervous_system","","","","","","central_nervous_system","","","","","central_nervous_system","","","SNU1105","central_nervous_system","","","","central_nervous_system","CVCL_5010","SNU1105_1440_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000368"
-"SNU-119","Ovary/Fallopian Tube","","SNU-119","","","","","","","SNU-119","SNU-119","","","SNU119","","","","","","ovary","","","","","","ovary","","","","","ovary","","","SNU119","ovary","","","","","CVCL_5014","SNU119_1441_2019","","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000635"
-"SNU-1196","Biliary Tract","","SNU-1196","","","","","","","SNU-1196","SNU-1196","","","SNU1196","","","","SNU1196_BILIARY_TRACT","","biliary_tract","","","","","","biliary_tract","","","","biliary_tract","biliary_tract","","","SNU1196","biliary_tract","","","","bile_duct","CVCL_5015","SNU1196_1442_2019","","biliary_tract","Hilar cholangiocarcinoma","Cancer cell line",NA,"ACH-000461"
-"SNU-1197","Bowel","","SNU-1197","","","","","","","SNU-1197","SNU-1197","","","","","","","","","large_intestine","","","","","","large_intestine","","","","large_intestine","","","","","","","","","","CVCL_5016","SNU1197_1443_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000412"
-"SNU-1214","Head and Neck","","SNU-1214","","","","","","","SNU-1214","SNU-1214","","","SNU1214","","","","SNU1214_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","","SNU1214","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_5017","SNU1214_1444_2019","","upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000715"
-"SNU-1272","Kidney","","SNU-1272","","","","","","","SNU-1272","SNU-1272","","","SNU1272","","","","","","kidney","","","","","","kidney","","","","","kidney","","","SNU1272","kidney","","","","","CVCL_8788","SNU1272_1445_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000513"
-"SNU-1544","Bowel","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5027","SNU-154418102021_","","","","",NA,"ACH-001786"
-"SNU-16","Esophagus/Stomach","NCI-SNU-16","SNU-16","SNU16","","SNU-16","","NCI-SNU-16","NCI-SNU-16","SNU-16","SNU-16","NCI-SNU-16///SNU-16","","SNU16","NCI-SNU-16///SNU-16","NCI-SNU-16","","","stomach","stomach","stomach","","Stomach","","Stomach","stomach","","","","stomach","stomach","Stomach","stomach","","","","","","","CVCL_0076","NCISNU16_1153_2019","NCI-SNU-16","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000581"
-"SNU-175","Bowel","","SNU-175","","","","SNU175","SNU-175","SNU-175","SNU-175","SNU-175","SNU-175","","SNU175","","SNU-175","","","","large_intestine","","","","LARGE_INTESTINE","large_intestine","large_intestine","","","","large_intestine","large_intestine","","large_intestine","SNU175","large_intestine","","","","","CVCL_5031","SNU175_1447_2019","SNU-175","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000989"
-"SNU-182","Liver","","SNU-182","SNU182","","SNU-182","","SNU-182","","SNU-182","SNU-182","SNU-182","","SNU182","SNU-182","SNU-182","","","","liver","liver","","Liver","","Liver","liver","","","","liver","liver","Liver","liver","SNU182","liver","","","","","CVCL_0090","SNU182_1448_2019","SNU-182","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000483"
-"SNU-201","CNS/Brain","","SNU-201","","","","","","","SNU-201","SNU-201","","","SNU201","","","","","","central_nervous_system","","","","","","central_nervous_system","","","","","central_nervous_system","","","","","","","","","CVCL_5033","SNU201_1449_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000623"
-"SNU-213","Pancreas","","SNU-213","","","","","","","SNU-213","SNU-213","","","SNU213","","","","SNU213_PANCREAS","","pancreas","","","","","","pancreas","","","","pancreas","pancreas","","","","","","","","pancreas","CVCL_5034","SNU213_1450_2019","","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000266"
-"SNU-216","Esophagus/Stomach","","SNU-216","","","SNU-216","","","","SNU-216","SNU-216","","","SNU216","SNU-216","","","","","stomach","","","Stomach","","","stomach","","","","stomach","stomach","","","SNU216","stomach","","","","","CVCL_3946","SNU216_1451_2019","","stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-000466"
-"SNU-245","Biliary Tract","","SNU-245","","","","","","","SNU-245","SNU-245","","","SNU245","","","","SNU245_BILIARY_TRACT","","biliary_tract","","","","","","biliary_tract","","","","biliary_tract","biliary_tract","","","SNU245","biliary_tract","","","","bile_duct","CVCL_5038","SNU245_1452_2019","","biliary_tract","Cholangiocarcinoma","Cancer cell line",NA,"ACH-000268"
-"SNU-283","Bowel","","SNU-283","","","","","SNU-283","SNU-283","SNU-283","","SNU-283","","","","SNU-283","","","","large_intestine","","","","","large_intestine","","","","","large_intestine","","","large_intestine","SNU283","large_intestine","","","","","CVCL_5044","SNU283_1453_2019","SNU-283","large_intestine","Rectal adenocarcinoma","Cancer cell line",TRUE,"ACH-000708"
-"SNU-308","Biliary Tract","","SNU-308","","","","","","","SNU-308","SNU-308","","","SNU308","","","","SNU308_BILIARY_TRACT","","biliary_tract","","","","","","biliary_tract","","","","biliary_tract","biliary_tract","","","SNU308","biliary_tract","","","","bile_duct","CVCL_5048","SNU308_1454_2019","","biliary_tract","Gallbladder carcinoma","Cancer cell line",NA,"ACH-000141"
-"SNU-324","Pancreas","","SNU-324","","","","","","","SNU-324","SNU-324","","","","","","","","","pancreas","","","","","","pancreas","","","","pancreas","","","","","","","","","","CVCL_5051","SNU324_1455_2019","","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000933"
-"SNU-349","Kidney","","SNU-349","","","","","","","SNU-349","SNU-349","","","","","","","","","kidney","","","","","","kidney","","","","","","","","","","","","","","CVCL_5054","SNU349_1456_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000907"
-"SNU-387","Liver","SNU-387","SNU-387","SNU387","","SNU-387","","SNU-387","","SNU-387","SNU-387","SNU-387","","SNU387","SNU-387","SNU-387","","","liver","liver","liver","","Liver","","Liver","liver","digestive_system","","","liver","liver","Liver","liver","SNU387","liver","","","","","CVCL_0250","SNU387_1457_2019","SNU-387","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000478"
-"SNU-398","Liver","","SNU-398","SNU398","","SNU-398","SNU398","SNU-398","","SNU-398","SNU-398","SNU-398","","SNU398","SNU-398","SNU-398","","SNU398_LIVER","","liver","liver","","Liver","LIVER","Liver","liver","","","","liver","liver","Liver","liver","SNU398","liver","","","","liver","CVCL_0077","SNU398_1458_2019","SNU-398","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000221"
-"SNU-407","Bowel","","SNU-407","","","","","SNU-407","SNU-407","SNU-407","SNU-407","SNU-407","","SNU407","","SNU-407","","SNU407_LARGE_INTESTINE","","large_intestine","","","","","large_intestine","large_intestine","","","","large_intestine","large_intestine","","large_intestine","SNU407","large_intestine","","","","colorectal","CVCL_5058","SNU407_1459_2019","SNU-407","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000955"
-"SNU-410","Pancreas","","SNU-410","","","","","","","SNU-410","SNU-410","","","SNU410","","","","SNU410_PANCREAS","","pancreas","","","","","","pancreas","","","","pancreas","pancreas","","","","","","","","pancreas","CVCL_5059","SNU410_1460_2019","","pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000517"
-"SNU-423","Liver","SNU-423","SNU-423","SNU423","","SNU-423","","SNU-423","","SNU-423","SNU-423","SNU-423","","SNU423","SNU-423","SNU-423","","SNU423_LIVER","liver","liver","liver","","Liver","","Liver","liver","digestive_system","","","liver","liver","Liver","liver","SNU423","liver","","","","liver","CVCL_0366","SNU423_1461_2019","SNU-423","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000493"
-"SNU-449","Liver","SNU-449","SNU-449","SNU449","","SNU-449","SNU449","SNU-449","","SNU-449","SNU-449","SNU-449","","SNU449","SNU-449","SNU-449","","SNU449_LIVER","liver","liver","liver","","Liver","LIVER","Liver","liver","digestive_system","","","liver","liver","Liver","liver","SNU449","liver","","","","liver","CVCL_0454","SNU449_1462_2019","SNU-449","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000420"
-"SNU-46","Head and Neck","","SNU-46","","","","","","","SNU-46","","","","SNU46","","","","SNU46_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","","","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","","SNU46","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_5063","SNU46_1463_2019","","upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000500"
-"SNU-466","CNS/Brain","","SNU-466","","","","","","","SNU-466","SNU-466","","","SNU466","","","","SNU466_CENTRAL_NERVOUS_SYSTEM","","central_nervous_system","","","","","","central_nervous_system","","","","","central_nervous_system","","","SNU466","central_nervous_system","","","","central_nervous_system","CVCL_5064","SNU466_1464_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000289"
-"SNU-475","Liver","SNU-475","SNU-475","SNU475","","SNU-475","","SNU-475","","SNU-475","SNU-475","SNU-475","","SNU475","SNU-475","SNU-475","","","liver","liver","liver","","Liver","","Liver","liver","digestive_system","","","liver","liver","Liver","liver","SNU475","liver","","","","","CVCL_0497","SNU475_1465_2019","SNU-475","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000422"
-"SNU-478","Ampulla of Vater","","SNU-478","","","","","","","SNU-478","SNU-478","","","SNU478","","","","","","biliary_tract","","","","","","pancreas","","","","pancreas","biliary_tract","","","SNU478","biliary_tract","","","","","CVCL_5065","SNU478_1466_2019","","pancreas","Ampulla of Vater adenocarcinoma","Cancer cell line",NA,"ACH-000377"
-"SNU-484","Esophagus/Stomach","","","","","SNU-484","","","","","","","","","SNU-484","","","","","","","","Stomach","","","","","","","stomach","","","","","","","","","","CVCL_0100","SNU484_1467_2019","","stomach","Gastric adenocarcinoma","Cancer cell line",NA,""
-"SNU-489","CNS/Brain","","SNU-489","","","","","","","SNU-489","SNU-489","","","SNU489","","","","","","central_nervous_system","","","","","","central_nervous_system","","","","","central_nervous_system","","","","","","","","","CVCL_5069","SNU489_1468_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000543"
-"SNU-5","Esophagus/Stomach","NCI-SNU-5","SNU-5","SNU5","","SNU-5","","NCI-SNU-5","","SNU-5","SNU-5","NCI-SNU-5///SNU-5","","SNU5","NCI-SNU-5///SNU-5","NCI-SNU-5","","","stomach","stomach","stomach","","Stomach","","Stomach","stomach","digestive_system","","","stomach","stomach","Stomach","stomach","","","","","","","CVCL_0078","NCISNU5_1154_2019","NCI-SNU-5","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000303"
-"SNU-503","Bowel","","SNU-503","","","","","","","SNU-503","SNU-503","","","SNU503","","","","","","large_intestine","","","","","","large_intestine","","","","large_intestine","large_intestine","","","SNU503","large_intestine","","","","","CVCL_5071","SNU503_1470_2019","","large_intestine","Rectal adenocarcinoma","Cancer cell line",TRUE,"ACH-000683"
-"SNU-520","Esophagus/Stomach","","SNU-520","","","","","","","SNU-520","SNU-520","","","","","","","","","stomach","","","","","","stomach","","","","stomach","","","","","","","","","","CVCL_5072","SNU520_1471_2019","","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000908"
-"SNU-601","Esophagus/Stomach","","SNU-601","","","SNU-601","","","","SNU-601","SNU-601","","","SNU601","SNU-601","","","SNU601_STOMACH","","stomach","","","Stomach","","","stomach","","","","stomach","stomach","","","SNU601","stomach","","","","gastric","CVCL_0101","SNU601_1472_2019","","stomach","Signet ring cell gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000736"
-"SNU-61","Bowel","","SNU-61","","","","SNU61","SNU-61","","SNU-61","SNU-61","SNU-61","","SNU61","","SNU-61","","SNU61_LARGE_INTESTINE","","large_intestine","","","","LARGE_INTESTINE","large_intestine","large_intestine","","","","large_intestine","large_intestine","","large_intestine","SNU61","large_intestine","","","","colorectal","CVCL_5078","SNU61_1473_2019","SNU-61","large_intestine","Rectal adenocarcinoma","Cancer cell line",TRUE,"ACH-000532"
-"SNU-620","Esophagus/Stomach","","SNU-620","","","SNU-620","","","","SNU-620","SNU-620","","","SNU620","SNU-620","","","","","stomach","","","Stomach","","","stomach","","","","stomach","stomach","","","","","","","","","CVCL_5079","SNU620_1474_2019","","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000325"
-"SNU-626","CNS/Brain","","SNU-626","","","","","","","SNU-626","SNU-626","","","SNU626","","","","","","central_nervous_system","","","","","","central_nervous_system","","","","","central_nervous_system","","","","","","","","","CVCL_5080","SNU626_1475_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000370"
-"SNU-638","Esophagus/Stomach","","","","","SNU-638","","","","","","","","","SNU-638","","","","","","","","Stomach","","","","","","","stomach","","","","","","","","","","CVCL_0102","SNU638_1476_2019","","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-001664"
-"SNU-668","Esophagus/Stomach","","SNU-668","","","SNU-668","","","","SNU-668","SNU-668","","","SNU668","SNU-668","","","SNU668_STOMACH","","stomach","","","Stomach","","","stomach","","","","stomach","stomach","","","SNU668","stomach","","","","gastric","CVCL_5081","SNU668_1477_2019","","stomach","Signet ring cell gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000344"
-"SNU-685","Uterus","","SNU-685","","","","","","","SNU-685","SNU-685","","","SNU685","","","","SNU685_ENDOMETRIUM","","endometrium","","","","","","endometrium","","","","","endometrium","","","SNU685","endometrium","","","","uterus","CVCL_5083","SNU685_1478_2019","","endometrium","Uterine carcinosarcoma","Cancer cell line",NA,"ACH-000407"
-"SNU-719","Esophagus/Stomach","","SNU-719","","","SNU-719","","","","SNU-719","SNU-719","","","SNU719","SNU-719","","","SNU719_STOMACH","","stomach","","","Stomach","","","stomach","","","","stomach","stomach","","","SNU719","stomach","","","","gastric","CVCL_5086","SNU719_1479_2019","","stomach","Gastric tubular adenocarcinoma","Cancer cell line",NA,"ACH-000898"
-"SNU-738","CNS/Brain","","SNU-738","","","","","","","SNU-738","SNU-738","","","SNU738","","","","","","central_nervous_system","","","","","","central_nervous_system","","","","","central_nervous_system","","","","","","","","","CVCL_5087","SNU738_1480_2019","","central_nervous_system","Oligodendroglioma","Cancer cell line",NA,"ACH-000807"
-"SNU-761","Liver","","SNU-761","","","","","","","SNU-761","SNU-761","","","SNU761","","","","SNU761_LIVER","","liver","","","","","","liver","","","","","liver","","","SNU761","liver","","","","liver","CVCL_5089","SNU761_1481_2019","","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000537"
-"SNU-8","Ovary/Fallopian Tube","","SNU-8","","","","","","","SNU-8","SNU-8","","","SNU8","","","","","","ovary","","","","","","ovary","","","","","ovary","","","","","","","","","CVCL_5096","SNU8_1482_2019","","ovary","Ovarian serous cystadenocarcinoma","Cancer cell line",TRUE,"ACH-000460"
-"SNU-81","Bowel","","SNU-81","","","","SNU81","SNU-81","SNU-81","SNU-81","SNU-81","SNU-81","","SNU81","","SNU-81","","SNU81_LARGE_INTESTINE","","large_intestine","","","","LARGE_INTESTINE","large_intestine","large_intestine","","","","large_intestine","large_intestine","","large_intestine","SNU81","large_intestine","","","","colorectal","CVCL_5098","SNU81_1483_2019","SNU-81","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000991"
-"SNU-840","Ovary/Fallopian Tube","","SNU-840","","","","SNU840","","","SNU-840","SNU-840","","","SNU840","","","","SNU840_OVARY","","ovary","","","","OVARY","","ovary","","","","","ovary","","","SNU840","ovary","","","","ovary","CVCL_5100","SNU840_1484_2019","","ovary","Malignant ovarian Brenner tumor","Cancer cell line",NA,"ACH-000280"
-"SNU-869","Ampulla of Vater","","SNU-869","","","","","","","SNU-869","SNU-869","","","SNU869","","","","SNU869_BILIARY_TRACT","","biliary_tract","","","","","","pancreas","","","","pancreas","biliary_tract","","","SNU869","biliary_tract","","","","bile_duct","CVCL_5101","SNU869_1485_2019","","pancreas","Ampulla of Vater adenocarcinoma","Cancer cell line",NA,"ACH-000182"
-"SNU-878","Liver","","SNU-878","","","","","","","SNU-878","SNU-878","","","SNU878","","","","","","liver","","","","","","liver","","","","","liver","","","","","","","","","CVCL_5102","SNU878_1486_2019","","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000686"
-"SNU-886","Liver","","SNU-886","","","","","","","SNU-886","SNU-886","","","SNU886","","","","SNU886_LIVER","","liver","","","","","","liver","","","","","liver","","","SNU886","liver","","","","liver","CVCL_5103","SNU886_1487_2019","","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000316"
-"SNU-899","Head and Neck","","SNU-899","","","","","","","SNU-899","SNU-899","","","SNU899","SNU-899","","","","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","upper_aerodigestive_tract","upper_aerodigestive_tract","","","SNU899","upper_aerodigestive_tract","","","","","CVCL_5105","SNU899_1488_2019","","upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000692"
-"SNU-C1","Bowel","SNU-C1","SNU-C1","","","SNU-C1","","SNU-C1","SNU-C1","SNU-C1","SNU-C1","SNU-C1","","SNUC1","SNU-C1","SNU-C1","","","large_intestine","large_intestine","","","Colon","","large_intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","","","","","","","CVCL_1708","SNUC1_1489_2019","SNU-C1","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000722"
-"SNU-C2A","Bowel","","SNU-C2A","","","","SNUC2A","","","SNU-C2A","SNU-C2A","","","SNUC2A","","","","SNUC2A_LARGE_INTESTINE","","large_intestine","","","","LARGE_INTESTINE","","large_intestine","","","","large_intestine","large_intestine","","","SNUC2A","large_intestine","","","","colorectal","CVCL_1709","SNUC2A_1490_2019","","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000967"
-"SNU-C2B","Bowel","SNU-C2B","SNU-C2B","","","","","SNU-C2B","SNU-C2B","","","SNU-C2B","","","","SNU-C2B","","","large_intestine","","","","","","Intestine","","digestive_system","","","large_intestine","","","large_intestine","","","","","","","CVCL_1710","SNUC2B_1491_2019","SNU-C2B","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-001199"
-"SNU-C4","Bowel","","SNU-C4","","","","SNUC4","","","SNU-C4","SNU-C4","","","SNUC4","","","","SNUC4_LARGE_INTESTINE","","large_intestine","","","","LARGE_INTESTINE","","large_intestine","","","","large_intestine","large_intestine","","","SNUC4","large_intestine","","","","colorectal","CVCL_5111","SNUC4_1492_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000959"
-"SNU-C5","Bowel","","SNU-C5","","","","SNUC5","SNU-C5","SNU-C5","SNU-C5","SNU-C5","SNU-C5","","SNUC5","SNU-C5","SNU-C5","","SNUC5_LARGE_INTESTINE","","large_intestine","","","","LARGE_INTESTINE","large_intestine","large_intestine","","","","","large_intestine","","large_intestine","SNUC5","large_intestine","","","","colorectal","CVCL_5112","SNUC5_1493_2019","SNU-C5","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000970"
-"SR","Lymphoid","SR","SR-786","SR","","SR///SR-786","","SR","SR","SR-786","SR-786","","","SR786","SR///SR-786","SR","SR///LE.SR","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Lymph Node///Blood","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","SR","blood","Leukemia","","CVCL_1711","SR_1495_2019","SR","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000338"
-"SS-78","","","","","","","","","","","","","","","","","SS-78","","","","","","","","","","","","","","","","","","","","","Renal Cancer","","","SS-7818602021_","","","","",NA,""
-"SS1A","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","SS1A18612021_","","","","",NA,"ACH-002334"
-"SSP-25","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_4902","SSP-2518622021_","","","","",NA,"ACH-001858"
-"ST486","Lymphoid","ST486","ST486","ST486","","","","ST486","ST486","ST486","ST486","ST486","","ST486","","ST486","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1712","ST486_1497_2019","ST486","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-000567"
-"STM91-01","Kidney","","STM9101","","","","","","","","","","","","","","","","","soft_tissue","","","","","","","","","","","","","","","","","","","","CVCL_8000","STM91-0118642021_","","soft_tissue","","Cancer cell line",TRUE,"ACH-001200"
-"STS-0421","Esophagus/Stomach","","","","","","","STS-0421","STS-0421","","","STS-0421","","","","STS-0421","","","","","","","","","soft_tissue","","","","","","","","soft_tissue","","","","","","","CVCL_X508","STS0421_1498_2019","STS-0421","soft_tissue","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-002306"
-"SU-DHL-1","Lymphoid","SU-DHL-1","SU-DHL-1","","","SU-DHL-1","","SU-DHL-1","","SU-DHL-1","SU-DHL-1","SU-DHL-1","","SUDHL1","SU-DHL-1","SU-DHL-1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","Lymph Node","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0538","SUDHL1_1499_2019","SU-DHL-1","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000664"
-"SU-DHL-10","Lymphoid","","SU-DHL-10","SUDHL10","","SU-DHL-10","","SU-DHL-10","SU-DHL-10","SU-DHL-10","SU-DHL-10","SU-DHL-10","","SUDHL10","SU-DHL-10","SU-DHL-10","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Pleura","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lung","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1889","SUDHL10_1500_2019","SU-DHL-10","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000271"
-"SU-DHL-16","Lymphoid","","","SUDHL16","","SU-DHL-16","","SU-DHL-16","SU-DHL-16","","","SU-DHL-16","","","SU-DHL-16","SU-DHL-16","","","","","hematopoietic_and_lymphatic_system","","Lymph Node","","haematopoietic_and_lymphoid_tissue","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1890","SUDHL16_1501_2019","SU-DHL-16","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-002307"
-"SU-DHL-4","Lymphoid","","SU-DHL-4","","","SU-DHL-4","SUDHL4","SU-DHL-4","","SU-DHL-4","SU-DHL-4","SU-DHL-4","","SUDHL4","SU-DHL-4","SU-DHL-4","","","","haematopoietic_and_lymphoid_tissue","","","Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0539","SUDHL4_1502_2019","SU-DHL-4","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000365"
-"SU-DHL-5","Lymphoid","","SU-DHL-5","SUDHL5","","SU-DHL-5","SUDHL5","SU-DHL-5","SU-DHL-5","SU-DHL-5","SU-DHL-5","SU-DHL-5","","","SU-DHL-5","SU-DHL-5","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1735","SUDHL5_1503_2019","SU-DHL-5","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000660"
-"SU-DHL-6","Lymphoid","","SU-DHL-6","SUDHL6","","SU-DHL-6","","SU-DHL-6","SU-DHL-6","SU-DHL-6","SU-DHL-6","SU-DHL-6","","SUDHL6","SU-DHL-6","SU-DHL-6","","","","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Lymph Node","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2206","SUDHL6_1504_2019","SU-DHL-6","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000611"
-"SU-DHL-8","Lymphoid","","SU-DHL-8","","","SU-DHL-8","","SU-DHL-8","","SU-DHL-8","SU-DHL-8","SU-DHL-8","","SUDHL8","SU-DHL-8","SU-DHL-8","","","","haematopoietic_and_lymphoid_tissue","","","Lymph Node","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2207","SUDHL8_1505_2019","SU-DHL-8","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000656"
-"SU.86.86","Pancreas","","SU.86.86","","","SU.86.86","","SU8686","","SU.86.86","SU.86.86","SU8686","","SU8686","SU.86.86","SU8686","","","","pancreas","","","Pancreas","","pancreas","pancreas","","","","","pancreas","Pancreas","pancreas","SU8686","pancreas","","","","","CVCL_3881","SU.86.86_1506_2019","SU8686","pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000114"
-"SUIT-2","Pancreas","","SUIT-2","","","SUIT-2","SUIT2","SUIT-2","SUIT-2","SUIT-2","SUIT-2","SUIT-2","","SUIT2","SUIT-2","SUIT-2","","SUIT2_PANCREAS","","pancreas","","","Pancreas","PANCREAS","Pancreas","pancreas","","","","pancreas","pancreas","Pancreas","pancreas","","","","","","pancreas","CVCL_3172","SUIT2_1507_2019","SUIT-2","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-000652"
-"SUM102PT","Breast","","","","SUM102PT","","","","","","","","sum102","","","","","","","","","breast","","","","","","","breast","breast","","","","","","","","","","CVCL_3421","SUM102PT_1514_2019","","breast","Breast carcinoma","Cancer cell line",NA,"ACH-001388"
-"SUM1315MO2","Breast","","","","SUM1315MO2","SUM 1315M02","","","","","","","sum1315","","SUM 1315M02","","","","","","","breast","Breast","","","","","","breast","","","","","","","","","","","CVCL_5589","SUM1315M02_1508_2019","","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-001389"
-"SUM149PT","Breast","","","","SUM149PT","SUM 149PT","","","","","","","sum149pt///sum149","","SUM 149PT","","","","","","","breast","Breast","","","","","SUM149PT","breast","","","","","","","","","","","CVCL_3422","SUM149PT_1509_2019","","breast","Inflammatory breast carcinoma","Cancer cell line",TRUE,"ACH-001390"
-"SUM159PT","Breast","","","","SUM159PT","SUM 159PT","","","","","","","sum159pt///sum159","","SUM 159PT","","","","","","","breast","Breast","","","","","SUM159PT///SUM159 PT","breast","","","","","","","","","","","CVCL_5423","SUM159PT_1510_2019","","breast","Pleomorphic breast carcinoma","Cancer cell line",NA,"ACH-001391"
-"SUM185PE","Breast","","","","SUM185PE","","","","","","","","sum185","","","","","","","","","breast","","","","","","","breast","breast","","","","","","","","","","CVCL_5591","SUM185PE_1515_2019","","breast","Ductal breast carcinoma","Cancer cell line",TRUE,"ACH-001392"
-"SUM190PT","Breast","","","","SUM190PT","","","","","","","","sum190","","","","","","","","","breast","","","","","","","breast","","","","","","","","","","","CVCL_3423","SUM190_1511_2019","","breast","Inflammatory breast carcinoma","Cancer cell line",NA,"ACH-001393"
-"SUM225CWN","Breast","","","","SUM225CWN","","","","","","","","sum225","","","","","","","","","breast","","","","","","","breast","breast","","","","","","","","","","CVCL_5593","SUM225CWN_1516_2019","","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-001397"
-"SUM229PE","Breast","","","","SUM229PE","SUM 229PE","","","","","","","sum229","","SUM 229PE","","","","","","","breast","Breast","","","","","","breast","","","","","","","","","","","CVCL_5594","SUM229PE_1512_2019","","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001394"
-"SUM44PE","Breast","","","","SUM44PE","","","","","","","","sum44","","","","","","","","","breast","","","","","","","breast","breast","","","","","","","","","","CVCL_3424","SUM44PE_1517_2019","","breast","Invasive lobular breast carcinoma","Cancer cell line",TRUE,"ACH-001395"
-"SUM52PE","Breast","","","","SUM52PE","SUM 52PE","","","","","","","sum52","","SUM 52PE","","","","","","","breast","Breast","","","","","","breast","","","","","","","","","","","CVCL_3425","SUM52PE_1513_2019","","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001396"
-"SUP-B15","Lymphoid","","SUP-B15","","","SUP-B15","","SUP-B15","","SUP-B15","SUP-B15","SUP-B15","","SUPB15","SUP-B15","SUP-B15","","","","haematopoietic_and_lymphoid_tissue","","","Blood","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0103","SUPB15_1518_2019","SUP-B15","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000059"
-"SUP-B8","Lymphoid","SUP-B8","","","","","","SUP-B8","SUP-B8","","","SUP-B8","","","","SUP-B8","","","haematopoietic_and_lymphoid_tissue","","","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1713","SUPB8_1519_2019","SUP-B8","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002308"
-"SUP-HD1","Lymphoid","","SUP-HD1","","","","","SUP-HD1","SUP-HD1","SUP-HD1","","SUP-HD1","","SUPHD1","","SUP-HD1","","","","haematopoietic_and_lymphoid_tissue","","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2208","SUPHD1_1520_2019","SUP-HD1","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-001203"
-"SUP-M2","Lymphoid","","SUP-M2","","","","","SUP-M2","","SUP-M2","SUP-M2","SUP-M2","","SUPM2","","SUP-M2","","","","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2209","SUPM2_1521_2019","SUP-M2","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000226"
-"SUP-T1","Lymphoid","SUP-T1","SUP-T1","","","","","SUP-T1","","SUP-T1","SUP-T1","SUP-T1","","SUPT1","","SUP-T1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1714","SUPT1_1522_2019","SUP-T1","haematopoietic_and_lymphoid_tissue","Childhood T lymphoblastic lymphoma","Cancer cell line",NA,"ACH-000953"
-"SUP-T11","Lymphoid","","SUP-T11","","","","","","","SUP-T11","SUP-T11","","","SUPT11","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","","","","CVCL_2210","SUPT11_1523_2019","","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000122"
-"SW1088","CNS/Brain","SW1088","SW 1088","SW1088","","","","SW1088","SW1088","SW_1088","SW_1088","SW1088","","SW1088","","SW1088","SW 1088","SW1088_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","central_nervous_system","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","SW1088","central_nervous_system","","","CNS Cancer","central_nervous_system","CVCL_1715","SW1088_1527_2019","SW1088","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000437"
-"SW1116","Bowel","SW1116","SW1116","SW1116","","SW 1116","","SW1116","SW1116","SW1116","SW1116","SW1116","","SW1116","SW 1116","SW1116","","","large_intestine","large_intestine","colon","","Colon","","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","","large_intestine","SW1116","large_intestine","","","","","CVCL_0544","SW1116_1528_2019","SW1116","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000489"
-"SW1271","Lung","","SW 1271","","","","","SW1271","","SW_1271","SW_1271","SW1271","","SW1271","","SW1271","","SW1271_LUNG","","lung","","","","","lung","lung","","","","","lung","","lung","SW1271","lung","","","","lung","CVCL_1716","SW1271_1524_2019","SW1271","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000890"
-"SW13","Adrenal Gland","SW13","","","","","","SW13","SW13","","","SW13","","","","SW13","","","adrenal_gland","","","","","","Kidney","","kidney","","","adrenal_gland","","","adrenal_gland","","","","","","","CVCL_0542","SW13_1529_2019","SW13","adrenal_gland","Adrenal cortex carcinoma","Cancer cell line",NA,"ACH-001401"
-"SW1353","Bone","","SW 1353","SW1353","","","","","","SW_1353","SW_1353","","","SW1353","","","","SW1353_BONE","","bone","bone","","","","","bone","","","","","bone","","","","","","","","bone","CVCL_0543","SW1353_1525_2019","","bone","Primary central chondrosarcoma","Cancer cell line",NA,"ACH-000418"
-"SW1417","Bowel","SW1417","SW1417","SW1417","","SW 1417","","SW1417","","SW1417","SW1417","SW1417","","SW1417","SW1417","SW1417","","","large_intestine","large_intestine","colon","","Colon","","Intestin","large_intestine","digestive_system","","","large_intestine","large_intestine","","large_intestine","SW1417","large_intestine","","","","","CVCL_1717","SW1417_1530_2019","SW1417","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000236"
-"SW1463","Bowel","SW1463","SW1463","SW1463","","SW 1463","","SW1463","SW1463","SW1463","SW1463","SW1463","","SW1463","SW 1463","SW1463","","","large_intestine","large_intestine","rectum","","Colon","","Intestine","large_intestine","","","","large_intestine","large_intestine","Colon","large_intestine","SW1463","large_intestine","","","","","CVCL_1718","SW1463_1531_2019","SW1463","large_intestine","Rectal adenocarcinoma","Cancer cell line",NA,"ACH-000470"
-"SW156","Kidney","","","","","","","SW156","SW156","","","SW156","","","","SW156","SW-156","","","","","","","","Kidney","","","","","kidney","","","kidney","","","","","Renal Cancer","","CVCL_1719","SW156_1532_2019","SW156","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-001398"
-"SW1573","Lung","SW1573","SW 1573","SW1573","","SW 1573","","SW1573","SW1573","SW_1573","SW_1573","SW1573","","SW1573","SW 1573","SW1573","SW-1573","SW1573_LUNG","lung","lung","lung","","Lung","","Lung:NSCLC","lung","lung","","","lung","lung","Lung","lung","SW1573","lung","","","Non-Small Cell Lung Cancer","lung","CVCL_1720","SW1573_1533_2019","SW1573","lung","Minimally invasive lung adenocarcinoma","Cancer cell line",NA,"ACH-000677"
-"SW1710","Bladder/Urinary Tract","SW1710","SW-1710","","","","","SW1710","SW1710","SW-1710","SW-1710","SW1710","","SW1710","","SW1710","","SW1710_URINARY_TRACT","urinary_tract","urinary_tract","","","","","Bladder","urinary_tract","","","","urinary_tract","urinary_tract","","urinary_tract","SW1710","urinary_tract","","","","urinary_tract","CVCL_1721","SW1710_1534_2019","SW1710","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000566"
-"SW1783","CNS/Brain","SW1783","SW 1783","SW1783","","","","SW1783","","SW_1783","SW_1783","SW1783","","SW1783","","SW1783","SW 1783","","central_nervous_system","central_nervous_system","central_nervous_system","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","","","","","CNS Cancer","","CVCL_1722","SW1783_1535_2019","SW1783","central_nervous_system","Anaplastic astrocytoma","Cancer cell line",NA,"ACH-000883"
-"SW1990","Pancreas","SW1990","SW 1990","SW1990","","SW 1990","","SW1990","","SW_1990","SW_1990","SW1990","","SW1990","SW 1990","SW1990","","SW1990_PANCREAS","pancreas","pancreas","pancreas","","Pancreas","","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","SW1990","pancreas","","","","pancreas","CVCL_1723","SW1990_1536_2019","SW1990","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000155"
-"SW403","Bowel","SW403","SW403","SW403","","SW 403","SW403","","SW403","SW403","SW403","SW403","","","SW 403","","","","large_intestine","large_intestine","colon","","Colon","LARGE_INTESTINE","","large_intestine","","","","large_intestine","","Colon","large_intestine","SW403","large_intestine","","","","","CVCL_0545","SW403_1537_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000820"
-"SW48","Bowel","SW48","SW48","SW48","","SW 48","SW48","SW48","SW48","SW48","SW48","SW48","","SW48","SW 48","SW48","","SW48_LARGE_INTESTINE","large_intestine","large_intestine","colon","","Colon","LARGE_INTESTINE","Intestine","large_intestine","","","","large_intestine","large_intestine","Colon","large_intestine","SW48","large_intestine","","","","colorectal","CVCL_1724","SW48_1538_2019","SW48","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000958"
-"SW480","Bowel","","SW480","SW480","","SW 480","SW480","","","SW480","SW480","","","","SW 480","","","SW480_LARGE_INTESTINE","","large_intestine","colon","","Colon","LARGE_INTESTINE","","large_intestine","","","","large_intestine","","Colon","","SW480","large_intestine","","","","colorectal","CVCL_0546","SW480_1539_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000842"
-"SW527","Bowel","","","","","SW 527","","","","","","","sw527","","SW 527","","","","","","","","Breast","","","","","SW527","breast","","","","","","","","","","","CVCL_3799","SW527_1526_2019","","breast","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-001825"
-"SW579","Thyroid","","SW579","SW579","","","","","","SW579","SW579","","","SW579","","","","SW579_THYROID","","thyroid","thyroid","","","","","upper_aerodigestive_tract","","","","upper_aerodigestive_tract","thyroid","","","SW579","thyroid","","","","thyroid","CVCL_3603","SW579_1540_2019","","upper_aerodigestive_tract","Thyroid gland squamous cell carcinoma","Cancer cell line",NA,"ACH-000163"
-"SW620","Bowel","SW620","SW620","SW620","","SW 620","SW620","SW620","SW620","SW620","SW620","SW620","","SW620","SW 620","SW620","SW-620///CO.SW.620","SW620_LARGE_INTESTINE","large_intestine","large_intestine","colon","","Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","","","","","Colon Cancer///Colon","colorectal","CVCL_0547","SW620_1541_2019","SW620","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000651"
-"SW626","Bowel","SW626","","","","","","SW626","SW626","","","SW626","","","SW 626","SW626","","","ovary","","","","","","ovary","","urogenital_system","","","ovary","","Ovary","ovary","","","","","","","CVCL_1725","SW626_1542_2019","SW626","ovary","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-001399"
-"SW684","Soft Tissue","SW684","","SW684","","","","SW684","SW684","","","SW684","","","","SW684","","","soft_tissue","","connective_tissue","","","","Misc","","soft_tissue","","","soft_tissue","","","soft_tissue","","","","","","","CVCL_1726","SW684_1543_2019","SW684","soft_tissue","Fibrosarcoma","Cancer cell line",NA,"ACH-002309"
-"SW756","Cervix","SW756","","SW756","","","","SW756","SW756","","","SW756","","","","SW756","","","cervix","","cervix_uteri","","","","cervix","","urogenital_system","","","cervix","","","cervix","","","","","","","CVCL_1727","SW756_1544_2019","SW756","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-001402"
-"SW780","Bladder/Urinary Tract","SW780","SW 780","SW780","","SW 780","","SW780","SW780","SW_780","SW_780","SW780","","","SW 780","SW780","","SW780_URINARY_TRACT","urinary_tract","urinary_tract","bladder","","Urinary Bladder","","Bladder","urinary_tract","urogenital_system","","","urinary_tract","","Urinary","urinary_tract","","","","","","urinary_tract","CVCL_1728","SW780_1545_2019","SW780","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000384"
-"SW837","Bowel","SW837","SW837","SW837","","SW 837","","SW837","SW837","SW837","SW837","SW837","","","SW 837","SW837","","SW837_LARGE_INTESTINE","large_intestine","large_intestine","colon","","Rectum","","Intestine","large_intestine","digestive_system","","","large_intestine","","Unclassified","large_intestine","SW837","large_intestine","","","","colorectal","CVCL_1729","SW837_1546_2019","SW837","large_intestine","Rectal adenocarcinoma","Cancer cell line",NA,"ACH-000421"
-"SW872","Soft Tissue","SW872","","SW872","","","","SW872","SW872","","","SW872","","","","SW872","","","soft_tissue","","connective_tissue","","","","Misc","","soft_tissue","","","soft_tissue","","","soft_tissue","","","","","","","CVCL_1730","SW872_1547_2019","SW872","soft_tissue","Liposarcoma","Cancer cell line",NA,"ACH-002310"
-"SW900","Lung","SW900","SW 900","SW900","","SW 900","","SW900","","SW_900","SW_900","SW900","","","SW 900","SW900","","SW900_LUNG","lung","lung","lung","","Lung","","Lung:NSCLC","lung","lung","","","lung","","","lung","","","","","","lung","CVCL_1731","SW900_1548_2019","SW900","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000669"
-"SW948","Bowel","SW948","SW948","SW948","","SW 948","SW948","SW948","SW948","SW948","SW948","SW948","","SW948","SW 948","SW948","","SW948_LARGE_INTESTINE","large_intestine","large_intestine","colon","","Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","SW948","large_intestine","","","","colorectal","CVCL_0632","SW948_1549_2019","SW948","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000680"
-"SW954","Vulva/Vagina","SW954","","SW954","","","","SW954","SW954","","","SW954","","","","SW954","","","vulva","","vulva","","","","Vulva","","urogenital_system","","","vulva","","","vulva","","","","","","","CVCL_1732","SW954_1550_2019","SW954","vulva","Vulvar squamous cell carcinoma","Cancer cell line",NA,"ACH-001400"
-"SW962","Vulva/Vagina","SW962","","SW962","","","","SW962","SW962","","","SW962","","","","SW962","","","vulva","","vulva","","","","Vulva","","urogenital_system","","","vulva","","","vulva","","","","","","","CVCL_1733","SW962_1551_2019","SW962","vulva","Vulvar carcinoma","Cancer cell line",TRUE,"ACH-002200"
-"SW982","Soft Tissue","SW982","","SW982","","SW 982","","SW982","SW982","","","SW982","","SW982","SW 982","SW982","","","soft_tissue","","synovial_membrane","","Breast","","Misc","","soft_tissue","","","soft_tissue","","Breast","soft_tissue","","","","","","","CVCL_1734","SW982_1552_2019","SW982","soft_tissue","Biphasic synovial sarcoma","Cancer cell line",NA,"ACH-001274"
-"SYO-1","Soft Tissue","","","","","","","","","","","","","SYO1","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_7146","SYO1_1553_2019","","","Biphasic synovial sarcoma","Cancer cell line",NA,"ACH-001275"
-"SaOS-2","Bone","Saos-2","Saos-2","SAOS2","","","","Saos-2","","Saos-2","Saos-2","Saos-2","","SAOS2","","Saos-2","","","bone","bone","sarcoma","","","","Bone","bone","bone","","","bone","bone","","bone","SAOS2","bone","","","","","CVCL_0548","Saos2_1343_2019","Saos-2","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000410"
-"Sarc9371","Bone","","","","","","","","Sarc9371","","","Sarc9371","","","","","","","","","","","","","","","","","","","","","bone","","","","","","","CVCL_5G89","Sarc9371_1344_2019","","bone","Osteosarcoma","Cancer cell line",NA,"ACH-002396"
-"Sc-1","Lymphoid","","","","","SC-1","","Sci-1","SC-1","","","","","","SC-1","SC-1","","","","","","","Lymph Node","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1888","SC1_1350_2019","Sci-1","haematopoietic_and_lymphoid_tissue","Follicular lymphoma","Cancer cell line",NA,"ACH-002392"
-"Shmac 4","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2722","Shmac 419242021_","","","","",NA,"ACH-001648"
-"Shmac 5","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2723","Shmac 519252021_","","","","",NA,"ACH-001649"
-"SiHa","Cervix","SiHa","SIHA","SIHA","","SiHa","","SiHa","SiHa","","","SiHa","","","SiHa","SiHa","","","cervix","","cervix_uteri","","Cervix","","Cervix","","urogenital_system","","","cervix","","Cervix","cervix","","","","","","","CVCL_0032","SiHa_1377_2019","SiHa","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-000556"
-"SiMa","Peripheral Nervous System","SIMA","SIMA","","","","","SIMA","","SIMA","SIMA","SIMA","","SIMA","SIMA","SIMA","","SIMA_AUTONOMIC_GANGLIA","autonomic_ganglia","autonomic_ganglia","","","","","Brain","autonomic_ganglia","nervous_system","","","autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","","","","","","peripheral_nervous_system","CVCL_1695","SIMA_1378_2019","SIMA","autonomic_ganglia","Adrenal gland neuroblastoma","Cancer cell line",NA,"ACH-000099"
-"SiSo","Cervix","","","","","","","SISO","SISO","","","SISO","","","SISO","SISO","","","","","","","","","Cervix","","","","","endometrium","","","endometrium","","","","","","","CVCL_2193","SISO_1379_2019","SISO","endometrium","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,"ACH-001650"
-"Sq-1","Lung","","Sq-1","","","","SQ1","","","Sq-1","Sq-1","","","SQ1","","","","SQ1_LUNG","","lung","","","","LUNG","","lung","","","","lung","lung","","","","","","","","lung","CVCL_4900","Sq1_1494_2019","","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000553"
-"SuSa","Testis","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_L280","SuSa19302021_","","","","",NA,"ACH-001668"
-"T-47D","Breast","T47D","T-47D","T47D","T47D","T-47D","","T47D","","T-47D","T-47D","T47D","t47d","T47D","T-47D","T47D","T-47D///BR.T.47D","T47D_BREAST","breast","breast","breast","breast","Breast","","Breast","breast","breast","T47D","breast","breast","breast","Breast","breast","T47D","breast","T47D","breast","Breast Cancer///Breast","breast","CVCL_0553","T47D_1559_2019","T47D","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000147"
-"T.T","Esophagus/Stomach","","T.T","","","","","T-T","","T.T","T.T","T-T","","","T.T","T-T","","TT_OESOPHAGUS","","oesophagus","","","","","Esophagus","oesophagus","","","","","","","oesophagus///esophagus","JCRB0262","","","","","esophagus","CVCL_3174","T.T_1555_2019","T-T","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000561"
-"T1-73","Bone","TI-73","T1-73","","","","","","","T1-73","T1-73","","","","","","","","bone","bone","","","","","","bone","","","","bone","","","bone","","","","","","","CVCL_3605","TI73_1594_2019","","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000529"
-"T24","Bladder/Urinary Tract","T-24","T24","T24","","","","T-24","","T24","T24","T-24///T24","","T24","","T-24","","T24_URINARY_TRACT","urinary_tract","urinary_tract","bladder","","","","Bladder","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","","urinary_tract","T24","urinary_tract","","","","urinary_tract","CVCL_0554","T24_1554_2019","T-24","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000018"
-"T3M-10","Lung","","T3M-10","","","","T3M10","","","T3M-10","T3M-10","","","T3M10","","","","T3M10_LUNG","","lung","","","","LUNG","","lung","","","","","lung","","","T3M10","lung","","","","lung","CVCL_8067","T3M10_1556_2019","","lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000813"
-"T3M-4","Pancreas","","T3M-4","","","","","","","T3M-4","T3M-4","","","","","","","","","pancreas","","","","","","pancreas","","","","","","","","","","","","","","CVCL_4056","T3M4_1557_2019","","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000085"
-"T3M-5","Thyroid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8064","T3M-519372021_","","","","",NA,"ACH-002042"
-"T47D ERE4","","","","","","","","","","","","","","","","","T47D ERE4","","","","","","","","","","","","","","","","","","","","","Breast Cancer","","","T47D ERE419382021_","","","","",NA,""
-"T47D FOS1","","","","","","","","","","","","","","","","","T47D FOS1","","","","","","","","","","","","","","","","","","","","","Breast Cancer","","","T47D FOS119392021_","","","","",NA,""
-"T47D NFkB15","","","","","","","","","","","","","","","","","T47D NFkB15","","","","","","","","","","","","","","","","","","","","","Breast Cancer","","","T47D NFkB1519402021_","","","","",NA,""
-"T47D-KBluc","Breast","","","","T47D_KBluc///T47DKBLUC","","","","","","","","","","","","","","","","","breast","","","","","","","","","","","","","","","","","","","T47D_KBluc_1560_2019","","breast","Invasive ductal carcinoma, not otherwise specified","",NA,""
-"T84","Bowel","T84","T84","T84","","T84","","T84","","T84","T84","T84","","T84","T84","T84","","","large_intestine","large_intestine","colon","","Colon","","Intestine","large_intestine","digestive_system","","","large_intestine","large_intestine","Colon","large_intestine","T84","large_intestine","","","","","CVCL_0555","T84_1561_2019","T84","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000381"
-"T98G","CNS/Brain","T98G","T98G","","","T98G","","T98G","","T98G","T98G","T98G","","T98G","T98G","T98G","","T98G_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","Brain","","Brain","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","Brain","central_nervous_system","T98G","central_nervous_system","","","","central_nervous_system","CVCL_0556","T98G_1562_2019","T98G","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000571"
-"T98G/H.Fine","","","","","","","","","","","","","","","","","T98G/H.Fine","","","","","","","","","","","","","","","","","","","","","CNS Cancer","","","T98G/H.Fine19442021_","","","","",NA,""
-"TALL-1 [Human adult T-ALL]","Lymphoid","TALL-1","TALL-1","","","","","","","TALL-1","TALL-1","TALL-1","","TALL1","","TALL-1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1736","TALL1_1564_2019","TALL-1","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000197"
-"TASK1","CNS/Brain","","","","","","","TASK1","TASK1","","","TASK1","","","","","","","","","","","","","other","","","","","","","","other","","","","","","","CVCL_3177","TASK1_1565_2019","","other","Askin tumor","Cancer cell line",NA,"ACH-001670"
-"TC-106","Bone","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_F531","TC-10619472021_","","","","",NA,"ACH-001283"
-"TC-138","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_4Z30","TC-13819482021_","","","","",NA,"ACH-001430"
-"TC-205","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_4Z31","TC-20519492021_","","","","",NA,"ACH-001431"
-"TC-32","Other","","TC-32","","","","","","","","","","","","","","","","","bone","","","","","","","","","","bone","","","","","","","","","","CVCL_7151","TC32_1566_2019","","bone","Primitive neuroectodermal tumor","Cancer cell line",NA,"ACH-001205"
-"TC-71","Bone","","TC-71","","","TC-71","","TC-71","","TC-71","TC-71","TC-71","","TC71","TC-71","TC-71","","","","bone","","","Bone","","bone","bone","","","","bone","bone","Bone","bone","","","","","","","CVCL_2213","TC71_1567_2019","TC-71","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000424"
-"TC-YIK","Cervix","TC-YIK","","","","","","TC-YIK","TC-YIK","","","TC-YIK","","","","TC-YIK","","","cervix","","","","","","Cervix","","urogenital_system","","","cervix","","","cervix","","","","","","","CVCL_1737","TCYIK_1568_2019","TC-YIK","cervix","Cervical small cell carcinoma","Cancer cell line",NA,"ACH-002201"
-"TCC-PAN2","Pancreas","","TCC-PAN2","","","TCC-PAN2","","","","TCC-PAN2","TCC-PAN2","","","TCCPAN2","TCC-PAN2","","","TCCPAN2_PANCREAS","","pancreas","","","Pancreas","","","pancreas","","","","","pancreas","","","TCCPAN2","pancreas","","","","pancreas","CVCL_3178","TCCPAN2_1569_2019","","pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000502"
-"TCCSUP","Bladder/Urinary Tract","TCCSUP","TCCSUP","","","","","TCCSUP","","TCCSUP","TCCSUP","TCCSUP","","TCCSUP","","TCCSUP","","TCCSUP_URINARY_TRACT","urinary_tract","urinary_tract","","","","","Bladder","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","","urinary_tract","TCCSUP","urinary_tract","","","","urinary_tract","CVCL_1738","TCCSUP_1570_2019","TCCSUP","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000720"
-"TCO-1 [Human cervical carcinoma]","Cervix","TCO-1","","","","","","","","","","","","","","","","","thyroid","","","","","","","","","","","thyroid","","","","","","","","","","","TCO-1 [Human cervical carcinoma]19552021_","","thyroid","Cervical keratinizing squamous cell carcinoma","",NA,""
-"TE 125.T","Soft Tissue","","TE 125.T","","","","","","","TE_125.T","TE_125.T","","","","","","","","","soft_tissue","","","","","","soft_tissue","","","","","","","","TE125T","soft_tissue","","","","","CVCL_1740","TE125.T_1571_2019","","soft_tissue","Rhabdomyosarcoma","Cancer cell line",NA,"ACH-000079"
-"TE 159.T","Soft Tissue","","TE 159.T","","","","","","","TE_159.T","TE_159.T","","","","","","","","","soft_tissue","","","","","","soft_tissue","","","","","","","","","","","","","","CVCL_1743","TE159.T_1572_2019","","soft_tissue","Rhabdomyosarcoma","Cancer cell line",NA,"ACH-000175"
-"TE 161.T","Lymphoid","TE-161-T","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","TE 161.T19582021_","","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","",NA,""
-"TE 381.T","Soft Tissue","","","TE381T","","","","","","","","","","","","","","","","","sarcoma","","","","","","","","","","","","","","","","","","","","TE 381.T19592021_","","sarcoma","Rhabdomyosarcoma","",NA,""
-"TE 441.T","Soft Tissue","TE-441-T","TE 441.T","","","","","TE-441-T","TE-441-T","TE_441.T","TE_441.T","TE-441-T","","TE441T","","TE-441-T","","","soft_tissue","soft_tissue","","","","","soft_tissue","soft_tissue","soft_tissue","","","","soft_tissue","","soft_tissue","","","","","","","CVCL_1754","TE441.T_1573_2019","TE-441-T","soft_tissue","Rhabdomyosarcoma","Cancer cell line",NA,"ACH-000772"
-"TE 617.T","Soft Tissue","","TE 617.T","","","","","","","TE_617.T","TE_617.T","","","TE617T","","","","","","soft_tissue","","","","","","soft_tissue","","","","","soft_tissue","","","TE617T","soft_tissue","","","","","CVCL_1755","TE617.T_1574_2019","","soft_tissue","Rhabdomyosarcoma","Cancer cell line",NA,"ACH-000051"
-"TE-1","Esophagus/Stomach","TE-1","TE-1","","","","","TE-1","","TE-1","TE-1","TE-1","","TE1","","TE-1","","TE1_OESOPHAGUS","oesophagus","oesophagus","","","","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","","oesophagus","TE1","oesophagus","","","","esophagus","CVCL_1759","TE1_1575_2019","TE-1","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000647"
-"TE-10","Esophagus/Stomach","TE-10","TE-10","","","","","TE-10","TE-10","TE-10","TE-10","TE-10","","TE10","","TE-10","","TE10_OESOPHAGUS","oesophagus","oesophagus","","","","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","","oesophagus","TE10","oesophagus","","","","esophagus","CVCL_1760","TE10_1576_2019","TE-10","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000318"
-"TE-11","Esophagus/Stomach","TE-11","TE-11","","","","","TE-11","","TE-11","TE-11","TE-11","","TE11","","TE-11","","TE11_OESOPHAGUS","oesophagus","oesophagus","","","","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","","oesophagus","TE11","oesophagus","","","","esophagus","CVCL_1761","TE11_1577_2019","TE-11","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000488"
-"TE-12","Esophagus/Stomach","TE-12","","","","","","TE-12","TE-12","","","TE-12","","","","TE-12","","","oesophagus","","","","","","Esophagus","","aero_digestive_tract","","","oesophagus","","","oesophagus","","","","","","","CVCL_1762","TE12_1578_2019","TE-12","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-002311"
-"TE-14","Esophagus/Stomach","","TE-14","","","","","","","TE-14","TE-14","","","TE14","","","","TE14_OESOPHAGUS","","oesophagus","","","","","","oesophagus","","","","oesophagus","oesophagus","","","TE14","oesophagus","","","","esophagus","CVCL_3336","TE14_1579_2019","","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000726"
-"TE-15","Esophagus/Stomach","TE-15","TE-15","","","","","TE-15","","TE-15","TE-15","TE-15","","TE15","","TE-15","","","oesophagus","oesophagus","","","","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","","oesophagus","TE15","oesophagus","","","","","CVCL_1763","TE15_1580_2019","TE-15","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000353"
-"TE-4","Esophagus/Stomach","","TE-4","","","","","TE-4","TE-4","TE-4","TE-4","TE-4","","TE4","","TE-4","","TE4_OESOPHAGUS","","oesophagus","","","","","Esophagus","oesophagus","","","","oesophagus","oesophagus","","oesophagus","TE4","oesophagus","","","","esophagus","CVCL_3337","TE4_1581_2019","TE-4","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000917"
-"TE-5","Esophagus/Stomach","TE-5","TE-5","","","","","TE-5","","TE-5","TE-5","TE-5","","TE5","","TE-5","","TE5_OESOPHAGUS","oesophagus","oesophagus","","","","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","","oesophagus","","","","","","esophagus","CVCL_1764","TE5_1582_2019","TE-5","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000408"
-"TE-6","Esophagus/Stomach","TE-6","TE-6","","","","","TE-6","TE-6","TE-6","TE-6","TE-6","","TE6","","TE-6","","TE6_OESOPHAGUS","oesophagus","oesophagus","","","","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","","oesophagus","TE6","oesophagus","","","","esophagus","CVCL_1765","TE6_1583_2019","TE-6","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000605"
-"TE-8","Esophagus/Stomach","TE-8","TE-8","","","","","TE-8","TE-8","TE-8","TE-8","TE-8","","TE8","","TE-8","","TE8_OESOPHAGUS","oesophagus","oesophagus","","","","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","","oesophagus","TE8","oesophagus","","","","esophagus","CVCL_1766","TE8_1584_2019","TE-8","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000452"
-"TE-9","Esophagus/Stomach","TE-9","TE-9","","","","","TE-9","","TE-9","TE-9","TE-9","","TE9","","TE-9","","TE9_OESOPHAGUS","oesophagus","oesophagus","","","","","Esophagus","oesophagus","aero_digestive_tract","","","oesophagus","oesophagus","","oesophagus","TE9","oesophagus","","","","esophagus","CVCL_1767","TE9_1585_2019","TE-9","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000694"
-"TE85","","","","","","","","","","","","","","","","","TE85","","","","","","","","","","","","","","","","","","","","","Bone/Muscle","","","TE8519732021_","","","","",NA,""
-"TEN","Uterus","","TEN","","","","","","","TEN","TEN","","","","","","","TEN_ENDOMETRIUM","","endometrium","","","","","","endometrium","","","","","","","","","","","","","uterus","CVCL_E063","TEN_1586_2019","","endometrium","Endometrial carcinoma","Cancer cell line",NA,"ACH-000397"
-"TF-1","Myeloid","","TF-1","","","","","","","TF-1","TF-1","","","TF1","TF-1","","","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_0559","TF1_1588_2019","","haematopoietic_and_lymphoid_tissue","Erythroleukemia","Cancer cell line",NA,"ACH-000387"
-"TFK-1","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2214","TFK-119762021_","","","","",NA,"ACH-001673"
-"TGBC11TKB","Esophagus/Stomach","TGBC11TKB","TGBC11TKB","","","","","TGBC11TKB","TGBC11TKB","TGBC11TKB","TGBC11TKB","TGBC11TKB","","","","TGBC11TKB","","","stomach","stomach","","","","","Stomach","stomach","digestive_system","","","stomach","","","stomach","","","","","","","CVCL_1768","TGBC11TKB_1589_2019","TGBC11TKB","stomach","Gastric carcinoma","Cancer cell line",TRUE,"ACH-000949"
-"TGBC18TKB","Ampulla of Vater","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3338","TGBC18TKB19782021_","","","","",NA,"ACH-002023"
-"TGBC1TKB","Biliary Tract","TGBC1TKB","","","","","","TGBC1TKB","TGBC1TKB","","","TGBC1TKB","","","","TGBC1TKB","","","biliary_tract","","","","","","biliary_tract","","digestive_system","","","biliary_tract","","","biliary_tract","","","","","","","CVCL_1769","TGBC1TKB_1590_2019","TGBC1TKB","biliary_tract","Undifferentiated gallbladder carcinoma","Cancer cell line",TRUE,"ACH-001861"
-"TGBC24TKB","Biliary Tract","TGBC24TKB","","","","","","TGBC24TKB","TGBC24TKB","","","TGBC24TKB","","","","TGBC24TKB","","","biliary_tract","","","","","","Biliary","","digestive_system","","","biliary_tract","","","biliary_tract","","","","","","","CVCL_1770","TGBC24TKB_1591_2019","TGBC24TKB","biliary_tract","Gallbladder carcinoma","Cancer cell line",TRUE,"ACH-002312"
-"TGBC52TKB","Ampulla of Vater","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_H695","TGBC52TKB19812021_","","","","",NA,"ACH-001862"
-"TGW","Peripheral Nervous System","TGW","","","","","","TGW","TGW","","","TGW","","","","TGW","","","autonomic_ganglia","","","","","","autonomic_ganglia","","nervous_system","","","autonomic_ganglia","","","autonomic_ganglia","","","","","","","CVCL_1771","TGW_1592_2019","TGW","autonomic_ganglia","Adrenal gland neuroblastoma","Cancer cell line",NA,"ACH-001674"
-"THP-1","Myeloid","THP-1","THP-1","THP1","","THP-1","THP1","THP-1","","THP-1","THP-1","THP-1","","THP1","THP-1","THP-1","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","THP1","blood","","","CVCL_0006","THP1_1593_2019","THP-1","haematopoietic_and_lymphoid_tissue","Childhood acute monocytic leukemia","Cancer cell line",NA,"ACH-000146"
-"TIG-3 TD","Other","","TIG-3 TD","","","","","","","","","","","","","","","","","lung","","","","","","","","","","","","","","","","","","","","CVCL_V617","TIG3TD_1595_2019","","lung","","Telomerase immortalized cell line",NA,"ACH-001207"
-"TK [Human B-cell lymphoma]","Lymphoid","","","","","TK","","TK","TK","","","TK","","","TK","TK","","","","","","","Blood","","haematopoietic_and_lymphoid_tissue","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_3216","TK_1596_2019","TK","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-002313"
-"TK-10","Kidney","TK10","","TK10","","TK-10","","TK10","TK10","","","TK10","","","TK-10","TK10","TK-10///RE.TK.10","","kidney","","kidney","","Kidney","","kidney","","kidney","","","kidney","","Kidney","kidney","","","","","Renal Cancer///Renal","","CVCL_1773","TK10_1597_2019","TK10","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-001208"
-"TK-164","Kidney","","","","","","","","","","","","","","","","TK-164","","","","","","","","","","","","","","","","","","","","","Renal Cancer","","CVCL_8324","TK-16419872021_","","","Clear Cell Renal Cell Carcinoma","Cancer cell line",NA,""
-"TKKK","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_5599","TKKK19882021_","","","","",NA,"ACH-001863"
-"TM-31","CNS/Brain","","TM-31","","","","","","","TM-31","TM-31","","","TM31","","","","TM31_CENTRAL_NERVOUS_SYSTEM","","central_nervous_system","","","","","","central_nervous_system","","","","","central_nervous_system","","","TM31","central_nervous_system","","","","central_nervous_system","CVCL_6735","TM31_1598_2019","","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000592"
-"TMD8","Lymphoid","","","","","TMD8","","","","","","","","","TMD8","","","","","","","","Blood","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_A442","TMD8_1600_2019","","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma activated B-cell type","Cancer cell line",NA,""
-"TMK-1","Esophagus/Stomach","","","","","","","","TMK-1","","","TMK-1","","","","TMK-1","","","","","","","","","","","","","","stomach","","","stomach","","","","","","","CVCL_4384","TMK1_1601_2019","TMK-1","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-002202"
-"TO 175.T","Lymphoid","","TO 175.T","TO175T","","","","","","TO_175.T","TO_175.T","","","","","","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","","","","","CVCL_3806","TO175.T_1602_2019","","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000125"
-"TO14","Ovary/Fallopian Tube","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2734","TO1419932021_","","","","",NA,"ACH-001403"
-"TOV-112D","Ovary/Fallopian Tube","","TOV-112D","","","TOV-112D","","TOV-112D","","TOV-112D","TOV-112D","TOV-112D","","TOV112D","TOV-112D","TOV-112D","","TOV112D_OVARY","","ovary","","","Ovary","","Ovary","ovary","","","","ovary","ovary","Ovary","ovary","TOV112D","ovary","","","","ovary","CVCL_3612","TOV112D_1604_2019","TOV-112D","ovary","Ovarian endometrioid adenocarcinoma","Cancer cell line",NA,"ACH-000048"
-"TOV-21G","Ovary/Fallopian Tube","","TOV-21G","","","","","TOV-21G","","TOV-21G","TOV-21G","TOV-21G","","TOV21G","TOV-21G","TOV-21G","","TOV21G_OVARY","","ovary","","","","","Ovary","ovary","","","","ovary","ovary","Ovary","ovary","TOV21G","ovary","","","","ovary","CVCL_3613","TOV21G_1605_2019","TOV-21G","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",NA,"ACH-000885"
-"TSU-PRI","","","","","","","","","","","","","","","","","TSU-PRI","","","","","","","","","","","","","","","","","","","","","Prostate Cancer","","","TSU-PRI19962021_","","","","",NA,""
-"TT","Thyroid","TT","TT","TT","","","","TT","","TT","TT","TT","","TTTHYROID","","TT","","TT_THYROID","thyroid","thyroid","thyroid_gland","","","","thyroid","thyroid","thyroid","","","thyroid","thyroid","","thyroid","","","","","","thyroid","CVCL_1774","TT_1606_2019","TT","thyroid","Hereditary thyroid gland medullary carcinoma","Cancer cell line",NA,"ACH-001321"
-"TT1TKB","Bowel","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8764","TT1TKB19982021_","","","","",NA,"ACH-002025"
-"TT2609-C02","Thyroid","","TT2609-C02","","","","","TT2609-C02","TT2609-C02","TT2609-C02","TT2609-C02","TT2609-C02","","TT2609C02","","TT2609-C02","","TT2609C02_THYROID","","thyroid","","","","","Thyroid","thyroid","","","","thyroid","thyroid","","thyroid","TT2609C02","thyroid","","","","thyroid","CVCL_2218","TT2609C02_1607_2019","TT2609-C02","thyroid","Thyroid gland follicular carcinoma","Cancer cell line",NA,"ACH-000716"
-"TTC-1240","Kidney","","TTC1240","","","","","","","","","","","","","","","","","soft_tissue","","","","","","","","","","","","","","","","","","","","CVCL_8002","TTC-124020002021_","","soft_tissue","","Cancer cell line",TRUE,"ACH-001210"
-"TTC-442","Soft Tissue","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_B255","TTC-44220012021_","","","","",NA,"ACH-001750"
-"TTC-466","Bone","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_A444","TTC-46620022021_","","","","",NA,"ACH-001206"
-"TTC-549","Other","","TTC549","","","","","","","","","","","","","","","","","soft_tissue","","","","","","","","","","","","","","","","","","","","CVCL_8005","TTC-54920032021_","","soft_tissue","","Cancer cell line",NA,"ACH-001211"
-"TTC-642","Other","","TTC642","","","","","","","","","","","","","","","","","soft_tissue","","","","","","","","","","","","","","","","","","","","CVCL_8006","TTC-64220042021_","","soft_tissue","","Cancer cell line",NA,"ACH-001212"
-"TTC-709","Other","","TTC709","","","","","","","","","","","TTC709","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8007","TTC709_1608_2019","","","Extrarenal rhabdoid tumor","Cancer cell line",NA,"ACH-000597"
-"TUHR10TKB","Kidney","","TUHR10TKB","","","","","","","TUHR10TKB","TUHR10TKB","","","TUHR10TKB","","","","","","kidney","","","","","","kidney","","","","","kidney","","","TUHR10TKB","kidney","","","","","CVCL_5952","TUHR10TKB_1610_2019","","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000459"
-"TUHR14TKB","Kidney","","TUHR14TKB","","","","","","","TUHR14TKB","TUHR14TKB","","","TUHR14TKB","","","","","","kidney","","","","","","kidney","","","","","kidney","","","","","","","","","CVCL_5953","TUHR14TKB_1611_2019","","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000317"
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-"U-138MG","CNS/Brain","","U-138 MG","U138MG","","","","","","","","","","","","","","","","central_nervous_system","cns","","","","","","","","","","","","","","","","","","","CVCL_0020","U138MG_1617_2019","","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-001214"
-"U-178MG","CNS/Brain","","U-178","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","","","","","","","","","","CVCL_A758","U178_1618_2019","","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000208"
-"U-251/H.Fine","","","","","","","","","","","","","","","","","U-251/H.Fine","","","","","","","","","","","","","","","","","","","","","CNS Cancer","","","U-251/H.Fine20202021_","","","","",NA,""
-"U-251MG","CNS/Brain","U251","U-251 MG","U251","","","","U251","U251","U-251_MG","U-251_MG","U251","","U251MG","","U251","U251///CNS.U251","U251MG_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","cns","","","","Brain","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","U251MG","central_nervous_system","","","CNS Cancer///Central nervous system","central_nervous_system","CVCL_0021","U251_1628_2019","U251","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000232"
-"U-2904","Lymphoid","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_X504","U-290420222021_","","","","",NA,"ACH-001677"
-"U-2932","Lymphoid","","","","","U-2932","","","","","","","","","U-2932","","","","","","","","Blood","","","","","","","","","","","","","","","","","CVCL_1896","U2932_1621_2019","","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma activated B-cell type","Cancer cell line",NA,""
-"U-343MGa","CNS/Brain","","U343","","","","","","","","","","","","","","","","","central_nervous_system","","","","","","","","","","","","","","","","","","","","CVCL_4773","U343_1631_2019","","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000036"
-"U-373/H.Fine","","","","","","","","","","","","","","","","","U-373/H.Fine","","","","","","","","","","","","","","","","","","","","","CNS Cancer","","","U-373/H.Fine20252021_","","","","",NA,""
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-"U-87/H.Fine","","","","","","","","","","","","","","","","","U-87/H.Fine","","","","","","","","","","","","","","","","","","","","","CNS Cancer","","","U-87/H.Fine20272021_","","","","",NA,""
-"U-87MG ATCC","CNS/Brain","U-87-MG","U-87 MG","U87MG","","","","U-87-MG","","U-87_MG","U-87_MG","U-87-MG","","U87MG","U-87 MG","U-87-MG","","","central_nervous_system","central_nervous_system","cns","","","","Brain","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","Brain","central_nervous_system","U87MG","central_nervous_system","","","","","CVCL_0022","U87MG_1623_2019","U-87-MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000075"
-"U-937","Myeloid","","U-937","","","U-937","U937","","","U-937","U-937","","","U937","U-937","","","","","haematopoietic_and_lymphoid_tissue","","","Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","","","","","","","","CVCL_0007","U937_1624_2019","","haematopoietic_and_lymphoid_tissue","Adult acute monocytic leukemia","Cancer cell line",NA,"ACH-000406"
-"U-BLC1","Bladder/Urinary Tract","","U-BLC1","","","","","","","U-BLC1","U-BLC1","","","UBLC1","","","","UBLC1_URINARY_TRACT","","urinary_tract","","","","","","urinary_tract","","","","urinary_tract","urinary_tract","","","UBLC1","urinary_tract","","","","urinary_tract","CVCL_2738","UBLC1_1625_2019","","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000741"
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-"U118/H.Fine","","","","","","","","","","","","","","","","","U118/H.Fine","","","","","","","","","","","","","","","","","","","","","CNS Cancer","","","U118/H.Fine20342021_","","","","",NA,""
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-"UABLG22","","","","","","","","","","","","","","","","","UABLG22","","","","","","","","","","","","","","","","","","","","","Non-Small Cell Lung Cancer","","","UABLG2220372021_","","","","",NA,""
-"UABMEL3","","","","","","","","","","","","","","","","","UABMEL3","","","","","","","","","","","","","","","","","","","","","Melanoma","","","UABMEL320382021_","","","","",NA,""
-"UACC-257","Skin","UACC-257","UACC-257","UACC257","","UACC-257","","UACC-257","","UACC-257","UACC-257","UACC-257","","UACC257","UACC-257","UACC-257","UACC-257///ME.UACC.257","UACC257_SKIN","haematopoietic_and_lymphoid_tissue","skin","skin","","Skin","","Skin","haematopoietic_and_lymphoid_tissue","skin","","","haematopoietic_and_lymphoid_tissue","skin","","haematopoietic_and_lymphoid_tissue","","","","","Melanoma","skin","CVCL_1779","UACC257_1632_2019","UACC-257","haematopoietic_and_lymphoid_tissue","Melanoma","Cancer cell line",NA,"ACH-000579"
-"UACC-3199","Breast","","","","","","","","","","","","uacc3199","","","","","","","","","","","","","","","","breast","","","","","","","","","","","CVCL_4042","UACC3199_1633_2019","","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,""
-"UACC-62","Skin","UACC-62","UACC-62","UACC62","","","","UACC-62","","UACC-62","UACC-62","UACC-62","","UACC62","UACC-62","UACC-62","UACC-62///ME.UACC.62","UACC62_SKIN","haematopoietic_and_lymphoid_tissue","skin","skin","","","","Skin","haematopoietic_and_lymphoid_tissue","skin","","","haematopoietic_and_lymphoid_tissue","skin","Skin","haematopoietic_and_lymphoid_tissue","","","","","Melanoma","skin","CVCL_1780","UACC62_1634_2019","UACC-62","haematopoietic_and_lymphoid_tissue","Melanoma","Cancer cell line",NA,"ACH-000425"
-"UACC-812","Breast","UACC-812","UACC-812","UACC812","UACC812","UACC-812","","UACC-812","UACC-812","UACC-812","UACC-812","UACC-812","uacc812","UACC812","UACC-812","UACC-812","","","breast","breast","breast","breast","Breast","","breast","breast","breast","UAC812///UACC812","breast","breast","breast","","breast","","","","","","","CVCL_1781","UACC812_1635_2019","UACC-812","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000568"
-"UACC-893","Breast","UACC-893","UACC-893","UACC893","UACC893","UACC-893","","UACC-893","","UACC-893","UACC-893","UACC-893","uacc893","","UACC-893","UACC-893","","","breast","breast","breast","breast","Breast","","Breast","breast","breast","UACC893","breast","breast","","","breast","","","","","","","CVCL_1782","UACC893_1636_2019","UACC-893","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000554"
-"UACC62SKINCJ1","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","UACC62SKINCJ120442021_","","","","",NA,"ACH-002004"
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-"UD-SCC-2","Head and Neck","","","","","","","","UDSCC2","","","UDSCC2","","","","","","","","","","","","","","","","","","","","","upper_aerodigestive_tract","","","","","","","CVCL_E325","UDSCC2_1638_2019","","upper_aerodigestive_tract","Hypopharyngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-002391"
-"UE6E7T-3","Other","","","","","","","UE6E7T-3","","","","","","","","","","","","","","","","","Blood","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_3237","UE6E7T3_1639_2019","","haematopoietic_and_lymphoid_tissue","","Transformed cell line",NA,""
-"UISO-BCA-1","Breast","","","","","","","","","","","","","","","","UISO-BCA-1","","","","","","","","","","","","","","","","","","","","","Breast Cancer","","CVCL_D249","UISO-BCA-120482021_","","","Invasive breast carcinoma of no special type","Cancer cell line",TRUE,""
-"UISO-MCC-1","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_E996","UISOMCC1_1640_2019","","skin","Merkel cell carcinoma","Cancer cell line",NA,""
-"UKE-1","Myeloid","","","","","UKE-1","","","","","","","","","UKE-1","","","","","","","","Blood","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_0104","UKE1_1641_2019","","haematopoietic_and_lymphoid_tissue","Essential thrombocythemia","Cancer cell line",NA,""
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-"UM-RC-2","Kidney","","UMRC2","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","kidney","","","","","","","","","","CVCL_2739","UMRC2_1645_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-001224"
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-"UM-RC-6","Kidney","","UMRC6","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","kidney","","","","","","","","","","CVCL_2741","UMRC6_1646_2019","","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-001225"
-"UM-RC-7","Kidney","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2742","UM-RC-720552021_","","","","",NA,"ACH-001688"
-"UM-UC-1","Bladder/Urinary Tract","","UM-UC-1","","","UM-UC-1","","","","UM-UC-1","UM-UC-1","","","UMUC1","UM-UC-1","","","UMUC1_URINARY_TRACT","","urinary_tract","","","Urinary Bladder","","","urinary_tract","","","","urinary_tract","urinary_tract","","","UMUC1","urinary_tract","","","","urinary_tract","CVCL_2743","UMUC1_1642_2019","","urinary_tract","Bladder carcinoma","Cancer cell line",TRUE,"ACH-000834"
-"UM-UC-10","Bladder/Urinary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2744","UM-UC-1020572021_","","","","",NA,"ACH-001412"
-"UM-UC-11","Bladder/Urinary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2745","UM-UC-1120582021_","","","","",NA,"ACH-001413"
-"UM-UC-13","Bladder/Urinary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2746","UM-UC-1320592021_","","","","",NA,"ACH-001407"
-"UM-UC-14","Bladder/Urinary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2747","UM-UC-1420602021_","","","","",NA,"ACH-001408"
-"UM-UC-16","Bladder/Urinary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2748","UM-UC-1620612021_","","","","",NA,"ACH-001409"
-"UM-UC-3","Bladder/Urinary Tract","UM-UC-3","UM-UC-3","UMUC3","","UM-UC-3","UMUC3","UM-UC-3","","UM-UC-3","UM-UC-3","UM-UC-3","","UMUC3","UM-UC-3","UM-UC-3","","","urinary_tract","urinary_tract","bladder","","Urinary Bladder","URINARY_TRACT","Bladder","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","Urinary","urinary_tract","UMUC3","urinary_tract","","","","","CVCL_1783","UMUC3_1643_2019","UM-UC-3","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000522"
-"UM-UC-4","Bladder/Urinary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2749","UM-UC-420632021_","","","","",NA,"ACH-001410"
-"UM-UC-5","Bladder/Urinary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2750","UM-UC-520642021_","","","","",NA,"ACH-001411"
-"UM-UC-6","Bladder/Urinary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2751","UM-UC-620652021_","","","","",NA,"ACH-001414"
-"UM-UC-7","Bladder/Urinary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2752","UM-UC-720662021_","","","","",NA,"ACH-001415"
-"UM-UC-9","Bladder/Urinary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2753","UM-UC-920672021_","","","","",NA,"ACH-001416"
-"UMC-11","Lung","UMC-11","","UMC11","","UMC-11","","UMC-11","UMC-11","","","UMC-11","","","UMC-11","UMC-11","","","lung","","lung","","Lung","","Lung","","lung","","","lung","","Lung","lung","","","","","","","CVCL_1784","UMC11_1644_2019","UMC-11","lung","Lung carcinoid tumor","Cancer cell line",NA,"ACH-001417"
-"UO-31","Kidney","U031","UO-31","UO31","","","","U031","U031","UO-31","UO-31","U031","","UO31","","U031","UO-31///RE.UO.31","UO31_KIDNEY","kidney","","kidney","","","","Kidney","","kidney","","","","","","kidney","UO31","","","","Renal Cancer///Renal","kidney","CVCL_1911","UO31_1647_2019","U031","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000428"
-"UOK-57","","","","","","","","","","","","","","","","","UOK-57","","","","","","","","","","","","","","","","","","","","","Renal Cancer","","","UOK-5720702021_","","","","",NA,""
-"UOK101","Kidney","","UOK101","","","","","","","","","","","","","","","","","kidney","","","","","","","","","","kidney","","","","","","","","","","CVCL_B076","UOK101_1648_2019","","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000262"
-"UPCI-SCC-090","Head and Neck","","","","","","","SCC90","SCC90","","","SCC90","","","","SCC90","","","","","","","","","upper_aerodigestive_tract","","","","","","","","upper_aerodigestive_tract","","","","","","","CVCL_1899","SCC90_1357_2019","SCC90","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,""
-"UPCI-SCC-152","Head and Neck","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_C058","UPCI-SCC-15220732021_","","","","",NA,"ACH-001228"
-"UPCISCC026","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","UPCISCC02620742021_","","","","",NA,"ACH-001690"
-"UPCISCC040","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","UPCISCC04020752021_","","","","",NA,"ACH-001692"
-"UPCISCC074","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","UPCISCC07420762021_","","","","",NA,"ACH-001694"
-"UPCISCC090","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","UPCISCC09020772021_","","","","",NA,"ACH-001227"
-"UPCISCC116","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","UPCISCC11620782021_","","","","",NA,"ACH-001698"
-"UPCISCC131","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","UPCISCC13120792021_","","","","",NA,"ACH-001699"
-"UPCISCC154","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","UPCISCC15420802021_","","","","",NA,"ACH-001229"
-"UT-7","Myeloid","","UT-7","","","","","","","","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","","","","CVCL_2233","UT7_1649_2019","","haematopoietic_and_lymphoid_tissue","Adult acute megakaryoblastic leukemia","Cancer cell line",NA,"ACH-001230"
-"UW228","CNS/Brain","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_8585","UW22820822021_","","","","",NA,"ACH-001232"
-"UWB1.289","Ovary/Fallopian Tube","","","","","","","UWB1.289","UWB1-289","","","UWB1.289","","","","UWB1.289","","","","","","","","","Ovary","","","","","","","","ovary","","","","","","","CVCL_B079","UWB1.289_1650_2019","UWB1.289","ovary","BRCA1 syndrome","Cancer cell line",NA,"ACH-001418"
-"VA-ES-BJ","Soft Tissue","VA-ES-BJ","","","","","","VA-ES-BJ","VA-ES-BJ","","","VA-ES-BJ","","","","VA-ES-BJ","","","bone","","","","","","Misc","","soft_tissue","","","bone","","","bone","","","","","","","CVCL_1785","VAESBJ_1651_2019","VA-ES-BJ","bone","Epithelioid sarcoma","Cancer cell line",TRUE,"ACH-001702"
-"VAL","Lymphoid","","","","","","","VAL","VAL","","","VAL","","","","VAL","","","","","","","","","Blood","","","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1819","VAL_1652_2019","VAL","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-001703"
-"VCaP","Prostate","","VCaP","","","","","VCaP","","VCaP","VCaP","VCaP","","VCAP","","VCaP","","","","prostate","","","","","Prostate","prostate","","","","prostate","prostate","","prostate","VCAP","prostate","","","","","CVCL_2235","VCaP_1653_2019","VCaP","prostate","Prostate carcinoma","Cancer cell line",TRUE,"ACH-000115"
-"VDSO/CMV-8","","","","","","","","","","","","","","","","","VDSO/CMV-8","","","","","","","","","","","","","","","","","","","","","Leukemia","","","VDSO/CMV-820872021_","","","","",NA,""
-"VDSO/CMV-9","","","","","","","","","","","","","","","","","VDSO/CMV-9","","","","","","","","","","","","","","","","","","","","","Leukemia","","","VDSO/CMV-920882021_","","","","",NA,""
-"VDSO/E6-18","","","","","","","","","","","","","","","","","VDSO/E6-18","","","","","","","","","","","","","","","","","","","","","Leukemia","","","VDSO/E6-1820892021_","","","","",NA,""
-"VDSO/E6-19","","","","","","","","","","","","","","","","","VDSO/E6-19","","","","","","","","","","","","","","","","","","","","","Leukemia","","","VDSO/E6-1920902021_","","","","",NA,""
-"VDSO/P","","","","","","","","","","","","","","","","","VDSO/P","","","","","","","","","","","","","","","","","","","","","Leukemia","","","VDSO/P20912021_","","","","",NA,""
-"VL51","Lymphoid","","","","","","","SLVL","SLVL","","","SLVL","","","","SLVL","","","","","","","","","Blood","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_3169","SLVL_1427_2019","SLVL","haematopoietic_and_lymphoid_tissue","Splenic lymphoma with circulating villous lymphocytes","Cancer cell line",NA,"ACH-002062"
-"VM-CUB-1","Bladder/Urinary Tract","VM-CUB-1","VM-CUB1","","","","","VM-CUB-1","VM-CUB-1","VM-CUB1","VM-CUB1","VM-CUB-1","","VMCUB1","","VM-CUB-1","","VMCUB1_URINARY_TRACT","urinary_tract","urinary_tract","","","","","Bladder","urinary_tract","urogenital_system","","","urinary_tract","urinary_tract","","urinary_tract","VMCUB1","urinary_tract","","","","urinary_tract","CVCL_1786","VMCUB1_1654_2019","VM-CUB-1","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000545"
-"VMRC-LCD","Lung","","VMRC-LCD","","","VMRC-LCD","VMRCLCD","VMRC-LCD","VMRC-LCD","","","VMRC-LCD","","VMRCLCD","VMRC-LCD","VMRC-LCD","","","","lung","","","Lung","LUNG","Lung:NSCLC","","","","","lung","lung","Lung","lung","VMRCLCD","lung","","","","","CVCL_1787","VMRCLCD_1655_2019","VMRC-LCD","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-001233"
-"VMRC-LCP","Lung","","VMRC-LCP","","","","","","","","","","","","","","","","","lung","","","","","","","","","","lung","","","","","","","","","","CVCL_1788","VMRCLCP_1656_2019","","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-001234"
-"VMRC-MELG","Skin","VMRC-MELG","","","","","","","VMRC-MELG","","","VMRC-MELG","","","","VMRC-MELG","","","skin","","","","","","","","","","","skin","","","skin","","","","","","","CVCL_1789","VMRCMELG_1657_2019","VMRC-MELG","skin","Melanoma","Cancer cell line",NA,"ACH-001704"
-"VMRC-RCW","Kidney","","VMRC-RCW","","","","VMRCRCW","","","VMRC-RCW","VMRC-RCW","VMRC-RCW","","VMRCRCW","VMRC-RCW","VMRC-RCW","","VMRCRCW_KIDNEY","","kidney","","","","KIDNEY","","kidney","","","","kidney","kidney","Kidney","kidney","VMRCRCW","kidney","","","","kidney","CVCL_1790","VMRCRCW_1658_2019","VMRC-RCW","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000484"
-"VMRC-RCZ","Kidney","VMRC-RCZ","VMRC-RCZ","","","","","VMRC-RCZ","VMRC-RCZ","VMRC-RCZ","VMRC-RCZ","VMRC-RCZ","","VMRCRCZ","","VMRC-RCZ","","VMRCRCZ_KIDNEY","kidney","kidney","","","","","kidney","kidney","","","","kidney","kidney","","kidney","VMRCRCZ","kidney","","","","kidney","CVCL_1791","VMRCRCZ_1659_2019","VMRC-RCZ","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000171"
-"VP229","Breast","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_2754","VP22920992021_","","","","",NA,"ACH-001419"
-"WERI-Rb-1","Eye","WERI-Rb-1","","","","","","","","","","","","","","","","","eye","","","","","","","","","","","eye","","","","","","","","","","CVCL_1792","WERI-Rb-121002021_","","eye","Retinoblastoma","",NA,"ACH-001421"
-"WI-38","Lung","","","WI38","","","","","","","","","","","","","WI-38","","","","lung","","","","","","","","","","","","","","","","","Fibroblast","","","WI-3821012021_","","lung","","",NA,""
-"WIL2 NS","Other","","","","","","","WIL2-NS","WIL2-NS","","","WIL2-NS","","","","WIL2-NS","","","","","","","","","Blood","","","","","","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_2761","WIL2NS_1661_2019","WIL2-NS","haematopoietic_and_lymphoid_tissue","Hereditary spherocytosis","Transformed cell line",NA,"ACH-002316"
-"WM115","Skin","WM-115","WM-115","WM115","","WM-115","","WM-115","","WM-115","WM-115","WM-115","","WM115","WM-115","WM-115","","","skin","skin","skin","","Skin","","Skin","skin","skin","","","skin","skin","Skin","skin","WM115","skin","","","","","CVCL_0040","WM115_1662_2019","WM-115","skin","Melanoma","Cancer cell line",TRUE,"ACH-000304"
-"WM1158","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6785","WM1158_1667_2019","","skin","Melanoma","Cancer cell line",TRUE,""
-"WM1552C","Skin","","","","","","","WM1552C","WM1552C","","","WM1552C","","","","WM1552C","","","","","","","","","Skin","","","","","","","","skin","","","","","","","CVCL_6472","WM1552C_1668_2019","WM1552C","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-002205"
-"WM1799","Skin","","WM1799","","","","","","","WM1799","WM1799","","","WM1799","","","","WM1799_SKIN","","skin","","","","","","skin","","","","","skin","","","WM1799","skin","","","","skin","CVCL_A341","WM1799_1669_2019","","skin","Melanoma","Cancer cell line",NA,"ACH-000661"
-"WM239A","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6795","WM239A_1670_2019","","skin","Melanoma","Cancer cell line",TRUE,""
-"WM266-4","Skin","","WM-266-4","","","WM-266-4","","WM-266-4","","WM-266-4","WM-266-4","","","WM2664","WM-266-4","","","WM2664_SKIN","","skin","","","Skin","","Skin","skin","","","","skin","skin","Skin","skin","WM2664","skin","","","","skin","CVCL_2765","WM2664_1663_2019","","skin","Melanoma","Cancer cell line",TRUE,"ACH-001239"
-"WM278","Skin","","","","","","","WM278","WM278","","","WM278","","","","WM278","","","","","","","","","Skin","","","","","skin","","","skin","","","","","","","CVCL_6473","WM278_1671_2019","WM278","skin","Melanoma","Cancer cell line",NA,"ACH-002206"
-"WM3211","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6797","WM321121102021_","","","","",NA,"ACH-002508"
-"WM35","Skin","","","","","","","WM35","WM35","","","WM35","","","","WM35","","","","","","","","","Skin","","","","","skin","","","skin","","","","","","","CVCL_0580","WM35_1672_2019","WM35","skin","Melanoma","Cancer cell line",NA,"ACH-002207"
-"WM4235","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","WM423521122021_","","","","",NA,"ACH-002509"
-"WM793","Skin","","WM-793","","","","","WM793B","WM793B","WM-793","WM-793","WM793B","","WM793","","WM793B","","WM793_SKIN","","skin","","","","","Skin","skin","","","","skin","skin","","skin","WM793","skin","","","","skin","CVCL_8787","WM793_1664_2019","WM793B","skin","Melanoma","Cancer cell line",NA,"ACH-000827"
-"WM88","Skin","","WM-88","","","","","","","WM-88","WM-88","","","WM88","","","","WM88_SKIN","","skin","","","","","","skin","","","","skin","skin","","","WM88","skin","","","","skin","CVCL_6805","WM88_1665_2019","","skin","Melanoma","Cancer cell line",TRUE,"ACH-000899"
-"WM902B","Skin","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6807","WM902B_1674_2019","","skin","Melanoma","Cancer cell line",NA,""
-"WM983B","Skin","","WM-983B","","","","","","","WM983B","WM983B","","","WM983B","","","","WM983B_SKIN","","skin","","","","","","skin","","","","skin","skin","","","WM983B","","","","","skin","CVCL_6809","WM983B_1666_2019","","skin","Melanoma","Cancer cell line",TRUE,"ACH-000765"
-"WPE1-NA22","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3810","WPE1-NA2221172021_","","","","",NA,"ACH-001422"
-"WRO","Thyroid","RO82-W-1","","","","","","RO82-W-1","RO82-W-1","","","RO82-W-1","","","","RO82-W-1","","","thyroid","","","","","","Thyroid","","thyroid","","","thyroid","","","thyroid","","","","","","","CVCL_0582","RO82W1_1322_2019","RO82-W-1","thyroid","Thyroid gland follicular carcinoma","Cancer cell line",NA,"ACH-001384"
-"WSU-DLCL2","Lymphoid","","WSU-DLCL2","","","WSU-DLCL2","WSUDLCL2","WSU-DLCL2","WSU-DLCL2","WSU-DLCL2","WSU-DLCL2","WSU-DLCL2","","WSUDLCL2","WSU-DLCL2","WSU-DLCL2","","","","haematopoietic_and_lymphoid_tissue","","","Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","","","","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1902","WSUDLCL2_1675_2019","WSU-DLCL2","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000534"
-"WSU-FSCCL","Lymphoid","","","","","WSU-FSCCL","","","","","","","","","WSU-FSCCL","","","","","","","","Lymph Node","","","","","","","","","","","","","","","","","CVCL_1903","WSUFSCCL_1676_2019","","haematopoietic_and_lymphoid_tissue","Malignant non-Hodgkin lymphoma, cleaved cell","Cancer cell line",NA,""
-"WSU-NHL","Lymphoid","WSU-NHL","","","","WSU-NHL","","WSU-NHL","WSU-NHL","","","WSU-NHL","","","WSU-NHL","WSU-NHL","","","haematopoietic_and_lymphoid_tissue","","","","Blood","","Blood","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1793","WSUNHL_1677_2019","WSU-NHL","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-001709"
-"WiDr","Bowel","","","WIDR","","WiDr","","","","","","","","","WiDr","","WIDR","","","","colon","","Colon","","","","","","","large_intestine","","","","","","","","Colon Cancer","","CVCL_2760","WIDR_1660_2019","","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,""
-"XF 498","CNS/Brain","","","","","","","","","","","","","","","","XF 498","","","","","","","","","","","","","","","","","","","","","CNS Cancer","","CVCL_8928","XF 49821232021_","","","Glioblastoma","Cancer cell line",NA,""
-"Y-79","Eye","","","Y79","","","","","","","","","","","","","","","","","eye","","","","","","","","","eye","","","","","","","","","","CVCL_1893","Y-7921242021_","","eye","Retinoblastoma","",NA,"ACH-001295"
-"YAPC","Pancreas","YAPC","YAPC","YAPC///YPAC","","YAPC","","YAPC","YAPC","YAPC","YAPC","YAPC","","YAPC","YAPC","YAPC","","YAPC_PANCREAS","pancreas","pancreas","pancreas","","Pancreas","","Pancreas","pancreas","pancreas","","","pancreas","pancreas","Pancreas","pancreas","","","","","","pancreas","CVCL_1794","YAPC_1679_2019","YAPC","pancreas","Pancreatic carcinoma","Cancer cell line",NA,"ACH-000332"
-"YD-10B","Head and Neck","","YD-10B","","","","","","","YD-10B","YD-10B","","","YD10B","","","","YD10B_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","YD10B","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_8929","YD10B_1680_2019","","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000723"
-"YD-15","Head and Neck","","YD-15","","","","","","","YD-15","YD-15","","","YD15","","","","YD15_SALIVARY_GLAND","","salivary_gland","","","","","","salivary_gland","","","","","salivary_gland","","","YD15","salivary_gland","","","","upper_aerodigestive","CVCL_8930","YD15_1681_2019","","salivary_gland","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000836"
-"YD-38","Head and Neck","","YD-38","","","","","","","YD-38","YD-38","","","YD38","","","","YD38_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","YD38","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_L083","YD38_1682_2019","","upper_aerodigestive_tract","Gingival squamous cell carcinoma","Cancer cell line",NA,"ACH-000762"
-"YD-8","Head and Neck","","YD-8","","","","","","","YD-8","YD-8","","","YD8","","","","YD8_UPPER_AERODIGESTIVE_TRACT","","upper_aerodigestive_tract","","","","","","upper_aerodigestive_tract","","","","","upper_aerodigestive_tract","","","YD8","upper_aerodigestive_tract","","","","upper_aerodigestive","CVCL_L079","YD8_1683_2019","","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000630"
-"YH-13","CNS/Brain","YH-13","YH-13","","","","","YH-13","YH-13","YH-13","YH-13","YH-13","","YH13","","YH-13","","YH13_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","CNS","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","YH13","central_nervous_system","","","","central_nervous_system","CVCL_1795","YH13_1684_2019","YH-13","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000469"
-"YKG-1","CNS/Brain","YKG-1","YKG1","","","","","YKG-1","","YKG1","YKG1","YKG-1","","YKG1","","YKG-1","","YKG1_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","","","","","Brain","central_nervous_system","nervous_system","","","central_nervous_system","central_nervous_system","","central_nervous_system","YKG1","central_nervous_system","","","","central_nervous_system","CVCL_1796","YKG1_1685_2019","YKG-1","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000570"
-"YMB-1","Breast","","YMB-1","","","YMB-1","","","","","","","","","YMB-1","","","","","breast","","","Breast","","","","","","","","","","","","","","","","","CVCL_2814","YMB1_1686_2019","","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-001249"
-"YMB-1-E","Breast","","","","","YMB-1-E","","","","","","YMB-1-E","","","YMB-1-E","YMB-1-E","","","","","","","Breast","","","","","","","","","","breast","","","","","","","CVCL_2815","YMB1E_1687_2019","YMB-1-E","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-002208"
-"YSCCC","Biliary Tract","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_3629","YSCCC21342021_","","","","",NA,"ACH-001864"
-"YT","Lymphoid","YT","","","","","","YT","YT","","","YT","","","","YT","","","haematopoietic_and_lymphoid_tissue","","","","","","haematopoietic_and_lymphoid_tissue","","blood","","","haematopoietic_and_lymphoid_tissue","","","haematopoietic_and_lymphoid_tissue","","","","","","","CVCL_1797","YT_1688_2019","YT","haematopoietic_and_lymphoid_tissue","Natural killer cell lymphoblastic leukemia/lymphoma","Cancer cell line",NA,"ACH-002317"
-"Yamato-SS","Soft Tissue","","","","","","","","","","","","","YAMATO","","","","","","","","","","","","","","","","","","","","","","","","","","CVCL_6C44","YAMATO_1678_2019","","","Biphasic synovial sarcoma","Cancer cell line",TRUE,"ACH-001277"
-"ZR-75-1","Breast","","ZR-75-1","ZR751","ZR751","ZR-75-1","","","","ZR-75-1","ZR-75-1","","zr751","ZR751","ZR-75-1","","ZR-75-1","ZR751_BREAST","","breast","breast","breast","Breast","","","breast","","ZR75-1","breast","breast","breast","","","ZR751","breast","ZR751","breast","Breast Cancer","breast","CVCL_0588","ZR751_1689_2019","","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000097"
-"ZR-75-30","Breast","ZR-75-30","ZR-75-30","","ZR7530","ZR-75-30","","ZR-75-30","ZR-75-30","ZR-75-30","ZR-75-30","ZR-75-30","zr7530","ZR7530","ZR-75-30","ZR-75-30","ZR-75-30","","breast","breast","","breast","Breast","","Breast","breast","breast","","breast","breast","breast","","breast","ZR7530","breast","","","Breast Cancer","","CVCL_1661","ZR7530_1690_2019","ZR-75-30","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000828"
-"ZR-75-B","Breast","","","","ZR75B","","","","","","","","zr75b","","","","","","","","","breast","","","","","","","breast","","","","","","","","","","","CVCL_5614","ZR75B_1691_2019","","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-002331"
+"","unique.cellid","unique.tissueid","CGP.cellid","CCLE.cellid","GSK.cellid","GRAY.cellid","GNE.cellid","CTRP.cellid","CGP_EMTAB3610.cellid","GDSC_rnaseq.cellid","CCLE_exome.cellid","CCLE_rnaseq.cellid","GDSC.SNP.cellid","Ben_Neel.cellid","CTRPv2.cellid","gCSI.cellid","GDSC1000.cellid","NCI60.cellid","PRISM.cellid","CGP.tissueid","CCLE.tissueid","GSK.tissueid","GRAY.tissueid","GNE.tissueid","CTRP.tissueid","CGP_EMTAB3610.tissueid","CCLE_rnaseq.tissueid","GDSC.SNP.tissueid","Cescon.cellid","Ben_Neel.tissueid","COSMIC.tissueid","CTRPv2.tissueid","gCSI.tissueid","GDSC1000.tissueid","Cleveland.cellid","Cleveland.tissueid","FIMM.cellid","FIMM.tissueid","NCI60.tissueid","PRISM.tissueid","Cellosaurus.Accession.id","PharmacoDB.id","GDSC_Exome.cellid","unique.tissueid.fromstudies","Cellosaurus.Disease.Type","CellLine.Type","Metastatic","DepMap.cellid","MITMel.cellid","MITMel.tissueid","VISAGE.cellid","VISAGE.tissueid"
+"1","105KC","Bone",NA,NA,NA,NA,"105KC",NA,NA,NA,NA,NA,NA,NA,NA,"105KC",NA,NA,NA,NA,NA,NA,NA,"Cartilage",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M605","105KC_1_2019",NA,"cartilage","Myxoid chondrosarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2","1273/99","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N588","1273/9922021_",NA,NA,NA,NA,NA,"ACH-001270",NA,NA,NA,NA
+"3","1321N1","CNS/Brain",NA,"1321N1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1321N1",NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,"CVCL_0110","1321N1_2_2019",NA,"central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-001000",NA,NA,NA,NA
+"4","143B","Bone",NA,"143B",NA,NA,"143B",NA,NA,"143b",NA,NA,NA,NA,NA,"143B",NA,NA,NA,NA,"bone",NA,NA,"Bone",NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2270","143B_3_2019",NA,"bone","Osteosarcoma","Cancer cell line",NA,"ACH-001001",NA,NA,NA,NA
+"5","184A1","Breast",NA,NA,NA,"184A1",NA,NA,NA,NA,NA,NA,NA,"184a1",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3040","184A1_4_2019",NA,"breast",NA,"Transformed cell line",NA,"ACH-002319",NA,NA,NA,NA
+"6","184A1N4","Other",NA,NA,NA,"184A1N4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"184A1N462021_",NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA
+"7","184B5","Breast",NA,NA,NA,"184B5",NA,NA,NA,NA,NA,NA,NA,"184b5",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4688","184B5_5_2019",NA,"breast",NA,"Transformed cell line",NA,"ACH-001827",NA,NA,NA,NA
+"8","1A2","Lymphoid",NA,NA,"1A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1A282021_",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA
+"9","2004","Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_U759","2004_6_2019",NA,NA,"Rhabdoid tumor of the kidney","Cancer cell line",NA,NA,NA,NA,NA,NA
+"10","201T","Lung",NA,NA,NA,NA,NA,NA,"201T","201T",NA,NA,"201T",NA,NA,NA,"201T",NA,NA,NA,NA,NA,NA,NA,NA,"Lung:NSCLC",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_X481","201T_7_2019","201T","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-002089",NA,NA,NA,NA
+"11","21MT-1","Breast",NA,NA,NA,"21MT1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7931","21MT1_8_2019",NA,"breast","Breast carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"12","21MT-2","Breast",NA,NA,NA,"21MT2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7932","21MT2_9_2019",NA,"breast","Breast carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"13","21NT","Breast",NA,NA,NA,"21NT",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7933","21NT_10_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-002399",NA,NA,NA,NA
+"14","21PT","Breast",NA,NA,NA,"21PT",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7934","21PT_11_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"15","22Rv1","Prostate","22RV1","22Rv1","22RV1",NA,NA,NA,"22RV1","22Rv1","22Rv1","22Rv1","22RV1",NA,"22RV1","22Rv1","22RV1",NA,"22RV1_PROSTATE","prostate","prostate","prostate",NA,NA,NA,"prostate","prostate","urogenital_system",NA,NA,"prostate","prostate",NA,"prostate","22RV1","prostate",NA,NA,NA,"prostate","CVCL_1045","22RV1_12_2019","22RV1","prostate","Prostate carcinoma","Cancer cell line",NA,"ACH-000956",NA,NA,"22RV1","Prostate"
+"16","23132/87","Esophagus/Stomach","23132-87","23132/87",NA,NA,"23132/87",NA,"23132-87",NA,"23132_87","23132_87","23132-87",NA,"2313287","23132-87///23132/87","23132-87",NA,"2313287_STOMACH","stomach","stomach",NA,NA,NA,NA,"Stomach","stomach","digestive_system",NA,NA,"stomach","stomach","Stomach","stomach",NA,NA,NA,NA,NA,"gastric","CVCL_1046","2313287_13_2019","23132-87","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000948",NA,NA,NA,NA
+"17","253J","Bladder/Urinary Tract",NA,"253J",NA,NA,NA,NA,NA,NA,"253J","253J",NA,NA,"253J",NA,NA,NA,"253J_URINARY_TRACT",NA,"urinary_tract",NA,NA,NA,NA,NA,"urinary_tract",NA,NA,NA,"urinary_tract","urinary_tract",NA,NA,NA,NA,NA,NA,NA,"urinary_tract","CVCL_7935","253J_14_2019",NA,"urinary_tract","Bladder carcinoma","Cancer cell line",TRUE,"ACH-000011",NA,NA,NA,NA
+"18","253J-BV","Bladder/Urinary Tract",NA,"253J-BV",NA,NA,NA,NA,NA,NA,"253J-BV","253J-BV",NA,NA,"253JBV",NA,NA,NA,"253JBV_URINARY_TRACT",NA,"urinary_tract",NA,NA,NA,NA,NA,"urinary_tract",NA,NA,NA,"urinary_tract","urinary_tract",NA,NA,NA,NA,NA,NA,NA,"urinary_tract","CVCL_7937","253JBV_15_2019",NA,"urinary_tract","Bladder carcinoma","Cancer cell line",TRUE,"ACH-000026",NA,NA,NA,NA
+"19","380","Lymphoid","380",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"380192021_",NA,"haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia",NA,NA,NA,NA,NA,NA,NA
+"20","42-MG-BA","CNS/Brain",NA,"42-MG-BA",NA,NA,NA,NA,"42-MG-BA",NA,"42-MG-BA","42-MG-BA","42-MG-BA",NA,"42MGBA",NA,"42-MG-BA",NA,"42MGBA_CENTRAL_NERVOUS_SYSTEM",NA,"central_nervous_system",NA,NA,NA,NA,"Brain","central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","42MGBA","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1798","42MGBA_16_2019","42-MG-BA","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000323",NA,NA,NA,NA
+"21","451Lu","Skin",NA,NA,NA,NA,NA,NA,"451Lu","451Lu",NA,NA,"451Lu",NA,NA,NA,"451Lu",NA,NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_6357","451Lu_17_2019","451Lu","skin","Cutaneous melanoma","Cancer cell line",TRUE,"ACH-001002","WM451Lu","Skin",NA,NA
+"22","537-mel","Skin",NA,NA,NA,NA,"537 MEL",NA,NA,NA,NA,NA,NA,NA,NA,"537 MEL",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8052","537MEL_19_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"23","5637","Bladder/Urinary Tract","5637","5637","5637",NA,NA,"5637","5637",NA,"5637","5637","5637",NA,"5637",NA,"5637",NA,"5637_URINARY_TRACT","urinary_tract","urinary_tract","bladder",NA,NA,"URINARY_TRACT","Bladder","urinary_tract",NA,NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","5637","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_0126","5637_20_2019","5637","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000905",NA,NA,NA,NA
+"24","59M","Ovary/Fallopian Tube",NA,"59M",NA,NA,"59M",NA,NA,NA,"59M","59M",NA,NA,NA,"59M",NA,NA,NA,NA,"ovary",NA,NA,"Ovary",NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2291","59M_21_2019",NA,"ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000520",NA,NA,NA,NA
+"25","600MPE","Breast",NA,NA,NA,"600MPE",NA,NA,NA,NA,NA,NA,NA,"600mpe///mpe600",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,"2-mpe600///MPE600","breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_9875","600MPE_22_2019",NA,"breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-002320",NA,NA,NA,NA
+"26","624-mel","Skin",NA,NA,NA,NA,"624 mel",NA,NA,NA,NA,NA,NA,NA,NA,"624 mel",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8054","624mel_23_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"27","639V","Bladder/Urinary Tract","639-V","639-V","639V",NA,NA,NA,"639-V",NA,"639-V","639-V","639-V",NA,"639V",NA,"639-V",NA,"639V_URINARY_TRACT","urinary_tract","urinary_tract","bladder",NA,NA,NA,"Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract",NA,NA,NA,NA,NA,"urinary_tract","CVCL_1048","639V_24_2019","639-V","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000973",NA,NA,NA,NA
+"28","647V","Bladder/Urinary Tract","647-V","647-V","647V",NA,NA,NA,"647-V",NA,"647-V","647-V","647-V",NA,"647V",NA,"647-V",NA,"647V_URINARY_TRACT","urinary_tract","urinary_tract","bladder",NA,NA,NA,"Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","647V","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_1049","647V_25_2019","647-V","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000896",NA,NA,NA,NA
+"29","697","Lymphoid","697","697",NA,NA,NA,NA,"697",NA,"697","697","697",NA,"697",NA,"697",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0079","697_26_2019","697","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia with t(1 p13.3) E2A-PBX1 (TCF3-PBX1)","Cancer cell line",NA,"ACH-000070",NA,NA,NA,NA
+"30","769-P","Kidney","769-P","769-P","769P",NA,"769-P",NA,"769-P",NA,"769-P","769-P","769-P",NA,"769P","769-P","769-P","769-P","769P_KIDNEY","kidney","kidney","kidney",NA,"Kidney",NA,"Kidney","kidney","kidney",NA,NA,"kidney","kidney","Kidney","kidney","769P","kidney",NA,NA,"Renal Cancer","kidney","CVCL_1050","769P_27_2019","769-P","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000411",NA,NA,NA,NA
+"31","786-O","Kidney","786-0","786-O","786O",NA,"786-O",NA,"786-o",NA,"786-O","786-O","786-0",NA,"786O","786-O","786-0","786-0///RE.786.0","786O_KIDNEY","kidney","kidney","kidney",NA,"Kidney",NA,"Kidney","kidney",NA,NA,NA,"kidney","kidney","Kidney","kidney","786O","kidney",NA,NA,"Renal Cancer///Renal","kidney","CVCL_1051","7860_28_2019","786-0","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000649",NA,NA,NA,NA
+"32","8-MG-BA","CNS/Brain","8-MG-BA","8-MG-BA",NA,NA,NA,NA,"8-MG-BA",NA,"8-MG-BA","8-MG-BA","8-MG-BA",NA,"8MGBA",NA,"8-MG-BA",NA,"8MGBA_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","8MGBA","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1052","8MGBA_29_2019","8-MG-BA","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000137",NA,NA,NA,NA
+"33","8305C","Thyroid","8305C","8305C",NA,NA,NA,NA,"8305C",NA,"8305C","8305C","8305C",NA,"8305C","8305C","8305C",NA,"8305C_THYROID","thyroid","thyroid",NA,NA,NA,NA,"Thyroid","thyroid","thyroid",NA,NA,"thyroid","thyroid","Thyroid","thyroid",NA,NA,NA,NA,NA,"thyroid","CVCL_1053","8305C_30_2019","8305C","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",NA,"ACH-001306",NA,NA,NA,NA
+"34","8505C","Thyroid","8505C","8505C",NA,NA,NA,NA,"8505C",NA,"8505C","8505C","8505C",NA,"8505C","8505C","8505C",NA,"8505C_THYROID","thyroid","thyroid",NA,NA,NA,NA,"thyroid","thyroid","thyroid",NA,NA,"thyroid","thyroid","Thyroid","thyroid","8505C","thyroid",NA,NA,NA,"thyroid","CVCL_1054","8505C_31_2019","8505C","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",NA,"ACH-001307",NA,NA,NA,NA
+"35","888-mel","Skin",NA,NA,NA,NA,"888",NA,NA,NA,NA,NA,NA,NA,NA,"888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4632","888mel_32_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"36","92-1 [Human uveal melanoma]","Eye",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8607","92-1 [Human uveal melanoma]362021_",NA,NA,NA,NA,NA,"ACH-001441",NA,NA,NA,NA
+"37","93T449","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_U614","93T449372021_",NA,NA,NA,NA,NA,"ACH-001794",NA,NA,NA,NA
+"38","94T778","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_U613","94T778382021_",NA,NA,NA,NA,NA,"ACH-001795",NA,NA,NA,NA
+"39","9505BIK",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9505BIK392021_",NA,NA,NA,NA,NA,"ACH-001999",NA,NA,NA,NA
+"40","95T1000","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WU67","95T1000402021_",NA,NA,NA,NA,NA,"ACH-001796",NA,NA,NA,NA
+"41","A-1207","CNS/Brain",NA,"A1207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8481","A1207_35_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000283",NA,NA,NA,NA
+"42","A-172","CNS/Brain","A172","A172","A172",NA,"A172",NA,"A172",NA,"A172","A172","A172",NA,"A172","A172","A172",NA,"A172_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","brain",NA,"Brain",NA,"Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","A172","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_0131","A172_36_2019","A172","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000558",NA,NA,NA,NA
+"43","A-172/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-172/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,NA,"A-172/H.Fine432021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"44","A-204","Soft Tissue","A204","A-204","A204",NA,NA,NA,"A204",NA,"A-204","A-204","A204",NA,"A204",NA,"A204","A-204","A204_SOFT_TISSUE","soft_tissue","soft_tissue","muscle",NA,NA,NA,"Muscle","soft_tissue",NA,NA,NA,"soft_tissue","soft_tissue",NA,"soft_tissue","A204","soft_tissue",NA,NA,"Rhabdoid Tumor","rhabdoid","CVCL_1058","A204_37_2019","A204","soft_tissue","Embryonal rhabdomyosarcoma","Cancer cell line",NA,"ACH-000201",NA,NA,NA,NA
+"45","A-253","Head and Neck","A253","A-253",NA,NA,NA,NA,"A253",NA,"A-253","A-253","A253",NA,"A253","A-253","A253",NA,NA,"skin","salivary_gland",NA,NA,NA,NA,"H&N","skin","aero_digestive_tract",NA,NA,"skin","salivary_gland",NA,"skin","A253","salivary_gland",NA,NA,NA,NA,"CVCL_1060","A253_39_2019","A253","skin","Salivary gland squamous cell carcinoma","Cancer cell line",NA,"ACH-000740",NA,NA,NA,NA
+"46","A-375","Skin","A375","A-375","A375",NA,"A-375","A375","A375",NA,"A-375","A-375","A375",NA,"A375","A-375","A375",NA,"A375_SKIN","skin","skin","skin",NA,"Skin","SKIN","Skin","skin","skin",NA,NA,"skin","skin","Skin","skin",NA,NA,NA,NA,NA,"skin","CVCL_0132","A375_42_2019","A375","skin","Amelanotic melanoma","Cancer cell line",NA,"ACH-000219","A375","Skin",NA,NA
+"47","A-388","Skin","A388",NA,NA,NA,NA,NA,"A388","A388",NA,NA,"A388",NA,NA,"A388","A388",NA,NA,"skin",NA,NA,NA,NA,NA,"Unknown",NA,NA,NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1063","A388_43_2019","A388","skin","Squamous cell carcinoma","Cancer cell line",NA,"ACH-001442",NA,NA,NA,NA
+"48","A-427","Lung","A427","A427","A427",NA,"A-427",NA,"A427","A427",NA,NA,"A427",NA,NA,"A-427","A427",NA,NA,"lung",NA,"lung",NA,"Lung",NA,"Lung:NSCLC",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1055","A427_45_2019","A427","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000757",NA,NA,NA,NA
+"49","A-431","Other","A431",NA,"A431",NA,"A-431",NA,"A431","A431",NA,NA,"A431",NA,NA,"A-431","A431","A431",NA,"skin",NA,"skin",NA,"Skin",NA,"Skin",NA,NA,NA,NA,"skin",NA,"Skin","skin",NA,NA,NA,NA,"Miscellaneous Tumors",NA,"CVCL_0037","A431_46_2019","A431","skin","Vulvar squamous cell carcinoma","Cancer cell line",NA,"ACH-001328",NA,NA,NA,NA
+"50","A-498","Kidney","A498","A-498","A498",NA,"A-498",NA,"A498",NA,"A-498","A-498","A498",NA,"A498","A-498","A498","A498///RE.A498",NA,"kidney","kidney","kidney",NA,"Kidney",NA,"Kidney","kidney","kidney",NA,NA,"kidney","kidney","Kidney","kidney","A498","kidney",NA,NA,"Renal Cancer///Renal",NA,"CVCL_1056","A498_47_2019","A498","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000555",NA,NA,NA,NA
+"51","A-549","Lung","A549","A549","A549",NA,"A549","A549","A549",NA,"A549","A549","A549",NA,"A549","A549","A549","A549/ATCC///LC.A549.ATCC","A549_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,"Non-Small Cell Lung Cancer///Non-Small Cell Lung","lung","CVCL_0023","A549_48_2019","A549","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000681",NA,NA,NA,NA
+"52","A-673","Bone","A673","A-673","A673",NA,"A-673",NA,"A673",NA,"A-673","A-673","A673",NA,"A673","A-673","A673",NA,"A673_BONE","bone","bone","muscle",NA,"Skeletal Muscle",NA,"Muscle","bone","soft_tissue",NA,NA,"bone","bone","Muscle","bone","A673","bone",NA,NA,NA,"bone","CVCL_0080","A673_49_2019","A673","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000052",NA,NA,NA,NA
+"53","A-704","Kidney","A704","A-704",NA,NA,NA,NA,"A704",NA,"A-704","A-704","A704",NA,NA,NA,"A704",NA,"A704_KIDNEY","kidney","kidney",NA,NA,NA,NA,"Kidney","kidney","kidney",NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,"kidney","CVCL_1065","A704_50_2019","A704","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000429",NA,NA,NA,NA
+"54","A-C/EBP 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-C/EBP 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miscellaneous Tumors",NA,NA,"A-C/EBP 3542021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"55","A-CREB 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-CREB 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miscellaneous Tumors",NA,NA,"A-CREB 1552021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"56","A-CREB 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-CREB 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miscellaneous Tumors",NA,NA,"A-CREB 2562021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"57","A-FOS 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-FOS 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miscellaneous Tumors",NA,NA,"A-FOS 2572021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"58","A-FOS 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-FOS 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miscellaneous Tumors",NA,NA,"A-FOS 3582021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"59","A-JUN 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-JUN 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miscellaneous Tumors",NA,NA,"A-JUN 1592021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"60","A-JUN 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-JUN 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miscellaneous Tumors",NA,NA,"A-JUN 3602021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"61","A101D","Skin","A101D","A101D","A101D",NA,NA,NA,"A101D",NA,"A101D","A101D","A101D",NA,"A101D",NA,"A101D",NA,"A101D_SKIN","skin","skin","skin",NA,NA,NA,"Skin","skin","skin",NA,NA,"skin","skin",NA,"skin","A101D","skin",NA,NA,NA,"skin","CVCL_1057","A101D_34_2019","A101D","skin","Melanoma","Cancer cell line",NA,"ACH-000008","A101D","Skin",NA,NA
+"62","A2058","Skin","A2058","A2058",NA,NA,"A2058",NA,"A2058",NA,"A2058","A2058","A2058",NA,"A2058","A2058","A2058",NA,"A2058_SKIN","skin","skin",NA,NA,"Skin",NA,"Skin","skin",NA,NA,NA,"skin","skin","Skin","skin","A2058","skin",NA,NA,NA,"skin","CVCL_1059","A2058_38_2019","A2058","skin","Amelanotic melanoma","Cancer cell line",TRUE,"ACH-000788","A2058","Skin",NA,NA
+"63","A2780","Ovary/Fallopian Tube","A2780","A2780","A2780",NA,"A2780","A2780","A2780",NA,"A2780","A2780","A2780",NA,"A2780","A2780","A2780",NA,"A2780_OVARY","ovary","ovary","ovary",NA,"Ovary","OVARY","Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary","Ovary","ovary","A2780","ovary",NA,NA,NA,"ovary","CVCL_0134","A2780_40_2019","A2780","ovary","Ovarian endometrioid adenocarcinoma","Cancer cell line",NA,"ACH-000657",NA,NA,NA,NA
+"64","A3/Kawakami","Lymphoid","A3-KAW","A3/KAW",NA,NA,"A3/KAW",NA,"A3-KAW",NA,"A3_KAW","A3_KAW","A3-KAW",NA,"A3KAW","A3-KAW","A3-KAW",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1062","A3KAW_41_2019","A3-KAW","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000697",NA,NA,NA,NA
+"65","A375SKINCJ1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A375SKINCJ1652021_",NA,NA,NA,NA,NA,"ACH-002001",NA,NA,NA,NA
+"66","A375SKINCJ2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A375SKINCJ2662021_",NA,NA,NA,NA,NA,"ACH-002002",NA,NA,NA,NA
+"67","A375SKINCJ3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A375SKINCJ3672021_",NA,NA,NA,NA,NA,"ACH-002003",NA,NA,NA,NA
+"68","A4/Fukuda","Lymphoid","A4-Fuk","A4/Fuk",NA,NA,"A4/Fuk",NA,"A4-Fuk",NA,"A4_Fuk","A4_Fuk","A4-Fuk",NA,"A4FUK","A4-Fuk","A4-Fuk",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Skin","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1064","A4Fuk_44_2019","A4-Fuk","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000157",NA,NA,NA,NA
+"69","A673STAG2KO16",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A673STAG2KO16692021_",NA,NA,NA,NA,NA,"ACH-001007",NA,NA,NA,NA
+"70","A673STAG2KO45",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A673STAG2KO45702021_",NA,NA,NA,NA,NA,"ACH-001008",NA,NA,NA,NA
+"71","A673STAG2NT14",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A673STAG2NT14712021_",NA,NA,NA,NA,NA,"ACH-001009",NA,NA,NA,NA
+"72","A673STAG2NT23",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A673STAG2NT23722021_",NA,NA,NA,NA,NA,"ACH-001010",NA,NA,NA,NA
+"73","A7","Skin",NA,NA,"A7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A7732021_",NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA
+"74","ABC-1","Lung","ABC-1","ABC-1",NA,NA,"ABC-1",NA,"ABC-1",NA,"ABC-1","ABC-1","ABC-1",NA,NA,"ABC-1","ABC-1",NA,"ABC1_LUNG","lung","lung",NA,NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung",NA,"Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_1066","ABC1_51_2019","ABC-1","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000528",NA,NA,NA,NA
+"75","ACC-MESO-1","Pleura",NA,"ACC-MESO-1",NA,NA,NA,NA,NA,NA,"ACC-MESO-1","ACC-MESO-1",NA,NA,"ACCMESO1",NA,NA,NA,"ACCMESO1_PLEURA",NA,"pleura",NA,NA,NA,NA,NA,"pleura",NA,NA,NA,"pleura","pleura",NA,NA,"ACCMESO1","pleura",NA,NA,NA,"mesothelioma","CVCL_5113","ACCMESO1_52_2019",NA,"pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000086",NA,NA,NA,NA
+"76","ACCS","Bladder/Urinary Tract",NA,"ACCS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"urinary_tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6876","ACCS_53_2019",NA,"urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-001011",NA,NA,NA,NA
+"77","ACHN","Kidney","ACHN","ACHN","ACHN",NA,"ACHN",NA,"ACHN",NA,"ACHN","ACHN","ACHN",NA,"ACHN","ACHN","ACHN","ACHN///RE.ACHN","ACHN_KIDNEY","kidney","kidney","kidney",NA,"Kidney",NA,"Kidney","kidney","kidney",NA,NA,"kidney","kidney","Kidney","kidney","ACHN","kidney",NA,NA,"Renal Cancer///Renal","kidney","CVCL_1067","ACHN_54_2019","ACHN","kidney","Papillary renal cell carcinoma","Cancer cell line",TRUE,"ACH-000046",NA,NA,NA,NA
+"78","ACN","Peripheral Nervous System","ACN",NA,NA,NA,NA,NA,"ACN","ACN",NA,NA,"ACN",NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"autonomic_ganglia",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1068","ACN_55_2019",NA,"autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-002389",NA,NA,NA,NA
+"79","AGPN","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_X981","AGPN792021_",NA,NA,NA,NA,NA,"ACH-001022",NA,NA,NA,NA
+"80","AGS","Esophagus/Stomach","AGS","AGS","AGS",NA,"AGS","AGS","AGS",NA,"AGS","AGS","AGS",NA,"AGS","AGS","AGS",NA,"AGS_STOMACH","stomach","stomach","stomach",NA,"Stomach","STOMACH","Stomach","stomach","digestive_system",NA,NA,"stomach","stomach","Stomach","stomach","AGS","stomach",NA,NA,NA,"gastric","CVCL_0139","AGS_56_2019","AGS","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000880",NA,NA,NA,NA
+"81","ALL-PO","Lymphoid","ALL-PO",NA,NA,NA,NA,NA,"ALL-PO","ALL-PO",NA,NA,"ALL-PO",NA,NA,NA,"ALL-PO",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1069","ALLPO_58_2019","ALL-PO","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002209",NA,NA,NA,NA
+"82","ALL-SIL","Lymphoid",NA,"ALL-SIL",NA,NA,NA,NA,"ALL-SIL",NA,"ALL-SIL","ALL-SIL","ALL-SIL",NA,"ALLSIL",NA,"ALL-SIL",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1805","ALLSIL_59_2019","ALL-SIL","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000105",NA,NA,NA,NA
+"83","AM-38","CNS/Brain","AM-38","AM-38",NA,NA,NA,NA,"AM-38",NA,"AM-38","AM-38","AM-38",NA,"AM38","AM-38","AM-38",NA,NA,"central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","AM38","central_nervous_system",NA,NA,NA,NA,"CVCL_1070","AM38_60_2019","AM-38","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000269",NA,NA,NA,NA
+"84","AML-193","Myeloid","AML-193","AML-193",NA,NA,NA,NA,NA,NA,"AML-193","AML-193",NA,NA,"AML193",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1071","AML193_61_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood acute myeloid leukemia","Cancer cell line",NA,"ACH-000557",NA,NA,NA,NA
+"85","AMO1","Lymphoid",NA,"AMO-1",NA,NA,"AMO-1","AMO1","AMO-1",NA,"AMO-1","AMO-1","AMO-1",NA,"AMO1","AMO-1","AMO-1",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1806","AMO1_62_2019","AMO-1","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000838",NA,NA,NA,NA
+"86","AN3-CA","Uterus","AN3-CA","AN3 CA","AN3CA",NA,"AN3 CA",NA,"AN3-CA",NA,"AN3_CA","AN3_CA","AN3-CA",NA,"AN3CA","AN3 CA","AN3-CA",NA,"AN3CA_ENDOMETRIUM","endometrium","endometrium","uterus",NA,"Uterus",NA,"Uterus","endometrium","urogenital_system",NA,NA,"endometrium","endometrium","Uterus","endometrium","AN3CA","endometrium",NA,NA,NA,"uterus","CVCL_0028","AN3CA_63_2019","AN3-CA","endometrium","Endometrial adenocarcinoma","Cancer cell line",TRUE,"ACH-000940",NA,NA,NA,NA
+"87","ANGM-CSS","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2297","ANGM-CSS872021_",NA,NA,NA,NA,NA,"ACH-001329",NA,NA,NA,NA
+"88","ARH-77","Lymphoid","ARH-77",NA,"ARH77",NA,NA,NA,"ARH-77","ARH-77",NA,NA,"ARH-77",NA,NA,NA,"ARH-77",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1072","ARH77_64_2019","ARH-77","haematopoietic_and_lymphoid_tissue",NA,"Transformed cell line",NA,"ACH-002210",NA,NA,NA,NA
+"89","ASH-3","Thyroid",NA,NA,NA,NA,NA,NA,"ASH-3","ASH-3",NA,NA,"ASH-3",NA,NA,"ASH-3","ASH-3",NA,NA,NA,NA,NA,NA,NA,NA,"Thyroid",NA,NA,NA,NA,"thyroid",NA,NA,"thyroid",NA,NA,NA,NA,NA,NA,"CVCL_2856","ASH3_65_2019","ASH-3","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",NA,"ACH-001443",NA,NA,NA,NA
+"90","ATN-1","Lymphoid","ATN-1",NA,NA,NA,NA,NA,"ATN-1","ATN-1",NA,NA,"ATN-1",NA,NA,NA,"ATN-1",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1073","ATN1_68_2019","ATN-1","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002058",NA,NA,NA,NA
+"91","ATRFLOX","Bowel",NA,NA,NA,NA,"ATRFLOX",NA,NA,NA,NA,NA,NA,NA,NA,"ATRFLOX",NA,NA,NA,NA,NA,NA,NA,"Colon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2299","ATRFLOX_69_2019",NA,"large_intestine","Colon carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"92","AU565","Breast","AU565","AU565",NA,"AU565",NA,NA,"AU565",NA,"AU565","AU565","AU565","au565///AU655///au655","AU565","AU565","AU565",NA,NA,"breast","breast",NA,"breast",NA,NA,"Breast","breast","breast","au565///au655///AU655","breast","breast","breast","Breast","breast","AU565","breast",NA,NA,NA,NA,"CVCL_1074","AU565_70_2019","AU565","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000248",NA,NA,NA,NA
+"93","AZ-521","Esophagus/Stomach",NA,"AZ-521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2862","AZ521_72_2019",NA,"stomach","Duodenal adenocarcinoma","Cancer cell line",NA,"ACH-001015",NA,NA,NA,NA
+"94","AsPC-1","Pancreas","AsPC-1","AsPC-1","ASPC1",NA,"AsPC-1",NA,"AsPC-1",NA,"AsPC-1","AsPC-1","AsPC-1",NA,"ASPC1","AsPC-1","AsPC-1",NA,"ASPC1_PANCREAS","pancreas","pancreas","pancreas",NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","ASPC1","pancreas",NA,NA,NA,"pancreas","CVCL_0152","AsPC1_67_2019","AsPC-1","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-000222",NA,NA,NA,NA
+"95","Aska-SS","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASKA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6C43","ASKA_66_2019",NA,NA,"Biphasic synovial sarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"96","B-CPAP","Thyroid","BCPAP","B-CPAP",NA,NA,NA,NA,"BCPAP",NA,"B-CPAP","B-CPAP","BCPAP///B-CPAP",NA,"BCPAP","B-CPAP","BCPAP",NA,"BCPAP_THYROID","thyroid","thyroid",NA,NA,NA,NA,"Thyroid","thyroid","thyroid",NA,NA,"thyroid","thyroid","Thyroid","thyroid","BCPAP","thyroid",NA,NA,NA,"thyroid","CVCL_0153","BCPAP_82_2019","BCPAP","thyroid","Poorly differentiated thyroid gland carcinoma","Cancer cell line",NA,"ACH-000456",NA,NA,NA,NA
+"97","B2-17","CNS/Brain","B2-17",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B2-17972021_",NA,"central_nervous_system","Astrocytoma",NA,NA,NA,NA,NA,NA,NA
+"98","BALL-1","Lymphoid","BALL-1",NA,NA,NA,NA,NA,"BALL-1","BALL-1",NA,NA,"BALL-1",NA,NA,NA,"BALL-1",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1075","BALL1_73_2019","BALL-1","haematopoietic_and_lymphoid_tissue","Adult B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002211",NA,NA,NA,NA
+"99","BB30-HNC","Head and Neck","BB30-HNC",NA,NA,NA,NA,NA,"BB30-HNC","BB30-HNC",NA,NA,"BB30-HNC",NA,NA,NA,"BB30-HNC",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"H&N",NA,"aero_digestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1076","BB30HNC_74_2019","BB30-HNC","upper_aerodigestive_tract","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-002212",NA,NA,NA,NA
+"100","BB30-PBL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU86","BB30-PBL1002021_",NA,NA,NA,NA,NA,"ACH-002342",NA,NA,NA,NA
+"101","BB49-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU51","BB49-EBV1012021_",NA,NA,NA,NA,NA,"ACH-002343",NA,NA,NA,NA
+"102","BB49-HNC","Head and Neck","BB49-HNC",NA,NA,NA,NA,NA,"BB49-HNC","BB49-HNC",NA,NA,"BB49-HNC",NA,NA,NA,"BB49-HNC",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"H&N",NA,"aero_digestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1077","BB49HNC_75_2019","BB49-HNC","upper_aerodigestive_tract","Floor of mouth squamous cell carcinoma","Cancer cell line",NA,"ACH-002213",NA,NA,NA,NA
+"103","BB65-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6F66","BB65-EBV1032021_",NA,NA,NA,NA,NA,"ACH-002344",NA,NA,NA,NA
+"104","BB65-RCC","Kidney","BB65-RCC",NA,NA,NA,NA,NA,"BB65-RCC","BB65-RCC",NA,NA,"BB65-RCC",NA,NA,NA,"BB65-RCC",NA,NA,"kidney",NA,NA,NA,NA,NA,"Kidney",NA,"kidney",NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_1078","BB65RCC_76_2019","BB65-RCC","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002090",NA,NA,NA,NA
+"105","BC-1","Lymphoid","BC-1",NA,"BC1",NA,NA,NA,"BC-1","BC-1",NA,NA,"BC-1",NA,NA,NA,"BC-1",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1079","BC1_77_2019","BC-1","haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,"ACH-002214",NA,NA,NA,NA
+"106","BC-2","Lymphoid",NA,NA,"BC2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1856","BC2_78_2019",NA,"haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"107","BC-3","Lymphoid","BC-3",NA,"BC3",NA,NA,NA,NA,"BC-3",NA,NA,"BC-3",NA,NA,NA,"BC-3",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,NA,NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1080","BC3_79_2019","BC-3","haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,"ACH-002215",NA,NA,NA,NA
+"108","BC-3C","Bladder/Urinary Tract",NA,"BC-3C",NA,NA,NA,NA,NA,NA,"BC-3C","BC-3C",NA,NA,"BC3C",NA,NA,NA,"BC3C_URINARY_TRACT",NA,"urinary_tract",NA,NA,NA,NA,NA,"urinary_tract",NA,NA,NA,"urinary_tract","urinary_tract",NA,NA,"BC3C","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_1958","BC3C_80_2019",NA,"urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000593",NA,NA,NA,NA
+"109","BCP-1","Lymphoid",NA,"BCP-1",NA,NA,NA,NA,NA,NA,"BCP-1","BCP-1",NA,NA,"BCP1",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0107","BCP1_81_2019",NA,"haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,"ACH-000923",NA,NA,NA,NA
+"110","BDCM","Myeloid",NA,"BDCM","BDCM",NA,NA,NA,NA,NA,"BDCM","BDCM",NA,NA,"BDCM",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4613","BDCM_83_2019",NA,"haematopoietic_and_lymphoid_tissue","Acute myeloid leukemia","Cancer cell line",NA,"ACH-000080",NA,NA,NA,NA
+"111","BE-13","Lymphoid","BE-13",NA,NA,NA,NA,NA,"BE-13","BE-13",NA,NA,"BE-13",NA,NA,NA,"BE-13",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1081","BE13_84_2019","BE-13","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002216",NA,NA,NA,NA
+"112","BEN","Lung","BEN","BEN",NA,NA,"BEN","BEN","BEN",NA,"BEN","BEN","BEN",NA,"BEN","BEN","BEN",NA,"BEN_LUNG","lung","lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_1082","BEN_87_2019","BEN","lung","Non-small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000603",NA,NA,NA,NA
+"113","BFTC-905","Bladder/Urinary Tract","BFTC-905","BFTC-905","BFTC905",NA,"BFTC-905",NA,"BFTC-905",NA,"BFTC-905","BFTC-905","BFTC-905",NA,"BFTC905","BFTC-905","BFTC-905",NA,"BFTC905_URINARY_TRACT","urinary_tract","urinary_tract","bladder",NA,"Urinary Bladder",NA,"Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract",NA,NA,NA,NA,NA,"urinary_tract","CVCL_1083","BFTC905_88_2019","BFTC-905","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000802",NA,NA,NA,NA
+"114","BFTC-909","Bladder/Urinary Tract","BFTC-909","BFTC-909",NA,NA,"BFTC-909",NA,"BFTC-909",NA,"BFTC-909","BFTC-909","BFTC-909",NA,"BFTC909","BFTC-909","BFTC-909",NA,"BFTC909_KIDNEY","urinary_tract","kidney",NA,NA,"Kidney",NA,"Kidney","urinary_tract","kidney",NA,NA,"urinary_tract","kidney","Kidney","urinary_tract",NA,NA,NA,NA,NA,"kidney","CVCL_1084","BFTC909_89_2019","BFTC-909","urinary_tract","Renal cell carcinoma","Cancer cell line",NA,"ACH-000792",NA,NA,NA,NA
+"115","BGC-823","Cervix",NA,"BGC-823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3360","BGC823_90_2019",NA,"stomach","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,"ACH-001017",NA,NA,NA,NA
+"116","BHT-101","Thyroid","BHT-101","BHT-101","BHT101",NA,NA,NA,"BHT-101",NA,"BHT-101","BHT-101","BHT-101",NA,"BHT101",NA,"BHT-101",NA,"BHT101_THYROID","thyroid","thyroid","thyroid_gland",NA,NA,NA,"Thyroid","thyroid","thyroid",NA,NA,"thyroid","thyroid",NA,"thyroid","BHT101","thyroid",NA,NA,NA,"thyroid","CVCL_1085","BHT101_91_2019","BHT-101","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",TRUE,"ACH-000191",NA,NA,NA,NA
+"117","BHY","Head and Neck","BHY","BHY",NA,NA,"BHY",NA,"BHY",NA,"BHY","BHY","BHY",NA,"BHY","BHY","BHY",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,"Oral Cavity",NA,"Head & Neck","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract","Head and Neck","upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1086","BHY_92_2019","BHY","upper_aerodigestive_tract","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-000548",NA,NA,NA,NA
+"118","BICR 10","Head and Neck",NA,NA,NA,NA,"BICR 10",NA,"BICR10","BICR10",NA,NA,"BICR10",NA,NA,"BICR 10","BICR10",NA,NA,NA,NA,NA,NA,"Oral Cavity",NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"oral_cavity",NA,NA,NA,NA,NA,NA,"CVCL_2307","BICR10_93_2019","BICR10","oral_cavity","Buccal mucosa squamous cell carcinoma","Cancer cell line",NA,"ACH-001331",NA,NA,NA,NA
+"119","BICR 16","Head and Neck",NA,"BICR 16",NA,NA,NA,NA,NA,NA,"BICR_16","BICR_16",NA,NA,"BICR16","BICR 16",NA,NA,"BICR16_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"BICR16","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_2308","BICR16_94_2019",NA,"upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000503",NA,NA,NA,NA
+"120","BICR 18","Head and Neck",NA,"BICR 18",NA,NA,NA,NA,NA,NA,"BICR_18","BICR_18",NA,NA,"BICR18",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"BICR18","upper_aerodigestive_tract",NA,NA,NA,NA,"CVCL_2309","BICR18_95_2019",NA,"upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000992",NA,NA,NA,NA
+"121","BICR 22","Head and Neck",NA,"BICR 22",NA,NA,"BICR 22",NA,"BICR22",NA,"BICR_22","BICR_22","BICR22",NA,"BICR22","BICR 22","BICR22",NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"Tongue",NA,"Head & Neck","upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,"upper_aerodigestive_tract","BICR22","upper_aerodigestive_tract",NA,NA,NA,NA,"CVCL_2310","BICR22_96_2019","BICR22","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000794",NA,NA,NA,NA
+"122","BICR 31","Head and Neck",NA,"BICR 31",NA,NA,"BICR 31",NA,"BICR31",NA,"BICR_31","BICR_31","BICR31",NA,"BICR31","BICR 31","BICR31",NA,"BICR31_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,"Tongue",NA,"Head & Neck","upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,"upper_aerodigestive_tract","BICR31","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_2312","BICR31_97_2019","BICR31","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000228",NA,NA,NA,NA
+"123","BICR 56","Head and Neck",NA,"BICR 56",NA,NA,NA,NA,NA,NA,"BICR_56","BICR_56",NA,NA,"BICR56",NA,NA,NA,"BICR56_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"BICR56","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_2313","BICR56_98_2019",NA,"upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000771",NA,NA,NA,NA
+"124","BICR 6","Head and Neck",NA,"BICR 6",NA,NA,NA,NA,NA,NA,"BICR_6","BICR_6",NA,NA,"BICR6",NA,NA,NA,"BICR6_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"BICR6","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_2314","BICR6_99_2019",NA,"upper_aerodigestive_tract","Hypopharyngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000415",NA,NA,NA,NA
+"125","BICR 78","Head and Neck",NA,NA,NA,NA,"BICR 78",NA,"BICR78","BICR78",NA,NA,"BICR78",NA,NA,"BICR 78","BICR78",NA,NA,NA,NA,NA,NA,"Oral Cavity",NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"oral_cavity",NA,NA,NA,NA,NA,NA,"CVCL_2315","BICR78_100_2019","BICR78","oral_cavity","Oral cavity squamous cell carcinoma","Cancer cell line",NA,"ACH-001332",NA,NA,NA,NA
+"126","BIN-67","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_S987","BIN-671262021_",NA,NA,NA,NA,NA,"ACH-001278",NA,NA,NA,NA
+"127","BJ1-hTERT","Skin",NA,"BJ hTERT",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6573","BJhTERT_101_2019",NA,"skin",NA,"Telomerase immortalized cell line",NA,"ACH-001018",NA,NA,NA,NA
+"128","BJAB","Lymphoid",NA,NA,NA,NA,"BJAB",NA,NA,NA,NA,NA,NA,NA,NA,"BJAB",NA,NA,NA,NA,NA,NA,NA,"Lymph Node",NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5711","BJAB_102_2019",NA,"haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"129","BL-41","Lymphoid","BL-41","BL-41",NA,NA,NA,NA,"BL-41",NA,"BL-41","BL-41","BL-41",NA,"BL41",NA,"BL-41",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1087","BL41_103_2019","BL-41","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-000245",NA,NA,NA,NA
+"130","BL-70","Lymphoid","BL-70","BL-70",NA,NA,NA,"BL70",NA,NA,"BL-70","BL-70","BL-70",NA,"BL70",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"HEMATOPOIETIC_AND_LYMPHOID_TISSUE",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1088","BL70_104_2019",NA,"haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-000402",NA,NA,NA,NA
+"131","BLUE-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1967","BLUE-11312021_",NA,NA,NA,NA,NA,"ACH-001450",NA,NA,NA,NA
+"132","BM-1604","Prostate",NA,NA,"BM1604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prostate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BM-16041322021_",NA,"prostate","Prostate carcinoma",NA,NA,NA,NA,NA,NA,NA
+"133","BOKU","Cervix","BOKU",NA,NA,NA,NA,NA,"BOKU",NA,NA,NA,NA,NA,NA,"BOKU",NA,NA,NA,"cervix",NA,NA,NA,NA,NA,"Cervix",NA,NA,NA,NA,"cervix",NA,"Cervix","cervix",NA,NA,NA,NA,NA,NA,"CVCL_1089","BOKU_105_2019",NA,"cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-001451",NA,NA,NA,NA
+"134","BONNA-12","Lymphoid","BONNA-12",NA,NA,NA,NA,NA,"BONNA-12","BONNA-12",NA,NA,"BONNA-12",NA,NA,NA,"BONNA-12",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1090","BONNA12_106_2019","BONNA-12","haematopoietic_and_lymphoid_tissue","Hairy cell leukemia","Cancer cell line",NA,"ACH-001452",NA,NA,NA,NA
+"135","BPH-1","Prostate","BPH-1",NA,"BPH1",NA,NA,NA,"BPH-1","BPH-1",NA,NA,"BPH-1",NA,NA,NA,"BPH-1",NA,NA,"prostate",NA,"prostate",NA,NA,NA,"Prostate",NA,"urogenital_system",NA,NA,"prostate",NA,NA,"prostate",NA,NA,NA,NA,NA,NA,"CVCL_1091","BPH1_107_2019","BPH-1","prostate","Benign prostatic hyperplasia","Transformed cell line",NA,"ACH-001453",NA,NA,NA,NA
+"136","BT 112","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT112",NA,NA,NA,NA,NA,"CVCL_WW37","BT112_112_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"137","BT 131","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW38","BT131_114_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"138","BT 139","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW39","BT139_115_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"139","BT 145","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT145",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT145",NA,NA,NA,NA,NA,"CVCL_IP10","BT145_116_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"140","BT 147","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW40","BT147_117_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"141","BT 159","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_IP11","BT159_118_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"142","BT 164","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT164",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW41","BT164_120_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"143","BT 172","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_IP12","BT172_121_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"144","BT 187","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW46","BT187_123_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"145","BT 189","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT189",NA,NA,NA,NA,NA,NA,"BT 1891452021_",NA,NA,"Glioblastoma",NA,NA,NA,NA,NA,NA,NA
+"146","BT 216","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT216",NA,NA,NA,NA,NA,"CVCL_WW49","BT216_124_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"147","BT 224","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW50","BT224_125_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"148","BT 228","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT228",NA,NA,NA,NA,NA,"CVCL_WW51","BT228_126_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"149","BT 231","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW52","BT231_127_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"150","BT 232","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT232",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW53","BT232_128_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"151","BT 239","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW54","BT239_129_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"152","BT 245","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_IP13","BT245_130_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"153","BT 248","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW55","BT248_131_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"154","BT 271","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW56","BT271_132_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"155","BT 286","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW57","BT286_133_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"156","BT 320","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW58","BT320_134_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"157","BT 328","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW59","BT328_135_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"158","BT 330","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW60","BT330_136_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"159","BT 333","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW61","BT333_137_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"160","BT 340","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW62","BT340_138_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"161","BT 359","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW63","BT359_139_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"162","BT 416","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW64","BT416_140_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"163","BT 422","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW65","BT422_141_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"164","BT 428","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW66","BT428_142_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"165","BT 440","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW67","BT440_143_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"166","BT 444","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW68","BT444_144_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"167","BT 482","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW69","BT482_145_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"168","BT 498","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT498",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW71","BT498_146_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"169","BT 504","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT504",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW72","BT504_147_2019",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"170","BT-12","CNS/Brain",NA,"BT-12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M155","BT12_113_2019",NA,NA,"Atypical teratoid/rhabdoid tumor","Cancer cell line",NA,"ACH-000160",NA,NA,NA,NA
+"171","BT-16","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT16",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M156","BT16_119_2019",NA,NA,"Atypical teratoid/rhabdoid tumor","Cancer cell line",NA,"ACH-001020",NA,NA,NA,NA
+"172","BT-20","Breast","BT-20","BT-20","BT20","BT20","BT-20",NA,"BT-20",NA,"BT-20","BT-20","BT-20","bt20","BT20","BT-20","BT-20",NA,NA,"breast","breast","breast","breast","Breast",NA,"Breast","breast","breast","BT-20","breast","breast","breast","Breast","breast","BT20","breast",NA,NA,NA,NA,"CVCL_0178","BT20_108_2019","BT-20","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000536",NA,NA,NA,NA
+"173","BT-474","Breast","BT-474","BT-474","BT474","BT474","BT-474",NA,"BT-474",NA,"BT-474","BT-474","BT-474","bt474","BT474","BT-474","BT-474",NA,"BT474_BREAST","breast","breast","breast","breast","Breast",NA,"Breast","breast","breast","4-bt474///BT-474","breast","breast","breast","Breast","breast","BT474","breast","BT474","breast",NA,"breast","CVCL_0179","BT474_109_2019","BT-474","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000927",NA,NA,NA,NA
+"174","BT-483","Breast",NA,"BT-483",NA,"BT483","BT-483",NA,"BT-483",NA,"BT-483","BT-483","BT-483","bt483",NA,"BT-483","BT-483",NA,NA,NA,"breast",NA,"breast","Breast",NA,"Breast","breast",NA,NA,"breast","breast",NA,NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_2319","BT483_110_2019","BT-483","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000818",NA,NA,NA,NA
+"175","BT-549","Breast","BT-549","BT-549",NA,"BT549","BT-549",NA,"BT-549",NA,"BT-549","BT-549","BT-549","bt549","BT549","BT-549","BT-549","BT-549///BR.BT.549","BT549_BREAST","breast","breast",NA,"breast","Breast",NA,"Breast","breast","breast","BT549///BT-549","breast","breast","breast","Breast","breast","BT549","breast","BT549","breast","Breast Cancer///Breast","breast","CVCL_1092","BT549_111_2019","BT-549","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000288",NA,NA,NA,NA
+"176","BT179","Other",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT179",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WW43","BT179_122_2019",NA,NA,NA,"Cancer cell line",NA,NA,NA,NA,NA,NA
+"177","BT181","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BT181",NA,NA,NA,NA,NA,NA,"BT1811772021_",NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA
+"178","BV-173","Myeloid","BV-173","BV-173","BV173",NA,NA,NA,"BV-173","BV-173","BV-173","BV-173","BV-173",NA,"BV173",NA,"BV-173",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0181","BV173_148_2019","BV-173","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000432",NA,NA,NA,NA
+"179","BeWo","Uterus",NA,NA,"BEWO",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"placenta",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BeWo1792021_",NA,"placenta","Gestational choriocarcinoma",NA,NA,NA,NA,NA,NA,NA
+"180","Becker","CNS/Brain","Becker","Becker",NA,NA,NA,NA,"Becker","Becker",NA,NA,"Becker",NA,"BECKER",NA,"Becker",NA,"BECKER_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","Becker","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1093","Becker_86_2019","Becker","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-001016",NA,NA,NA,NA
+"181","BxPC-3","Pancreas","BxPC-3","BxPC-3","BXPC3",NA,"BxPC-3",NA,"BxPC-3",NA,"BxPC-3","BxPC-3","BxPC-3",NA,"BXPC3","BxPC-3","BxPC-3",NA,"BXPC3_PANCREAS","pancreas","pancreas","pancreas",NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","BXPC3","pancreas",NA,NA,NA,"pancreas","CVCL_0186","BxPC3_149_2019","BxPC-3","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000535",NA,NA,NA,NA
+"182","C-33 A","Cervix","C-33-A",NA,"C33A",NA,"C-33 A",NA,"C-33-A","C-33-A",NA,NA,"C-33-A",NA,NA,"C-33 A","C-33-A",NA,NA,"cervix",NA,"cervix_uteri",NA,"Cervix",NA,"Cervix",NA,"urogenital_system",NA,NA,"cervix",NA,"Cervix","cervix",NA,NA,NA,NA,NA,NA,"CVCL_1094","C33A_150_2019","C-33-A","cervix","Cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-001333",NA,NA,NA,NA
+"183","C-4-I","Cervix",NA,NA,"C4I",NA,NA,NA,"C-4-I","C-4-I",NA,NA,"C-4-I",NA,NA,NA,"C-4-I",NA,NA,NA,NA,"cervix_uteri",NA,NA,NA,"cervix",NA,NA,NA,NA,NA,NA,NA,"cervix",NA,NA,NA,NA,NA,NA,"CVCL_2253","C4I_151_2019","C-4-I","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-001334",NA,NA,NA,NA
+"184","C-4-II","Cervix","C-4-II",NA,"C4II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cervix",NA,"cervix_uteri",NA,NA,NA,NA,NA,NA,NA,NA,"cervix",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1095","C-4-II1842021_",NA,"cervix","Human papillomavirus-related cervical squamous cell carcinoma",NA,NA,"ACH-001335",NA,NA,NA,NA
+"185","C10","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5245","C101852021_",NA,NA,NA,NA,NA,"ACH-001454",NA,NA,NA,NA
+"186","C125-PM","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8175","C125-PM1862021_",NA,NA,NA,NA,NA,"ACH-001456",NA,NA,NA,NA
+"187","C170","Bowel",NA,NA,NA,NA,"C170",NA,NA,NA,NA,NA,NA,NA,NA,"C170",NA,NA,NA,NA,NA,NA,NA,"Colon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_S959","C170_152_2019",NA,"large_intestine","Colorectal adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"188","C2BBe1","Bowel","C2BBe1","C2BBe1",NA,NA,"C2BBe1","C2BBE1","C2BBe1","C2BBe1","C2BBe1","C2BBe1","C2BBe1",NA,"C2BBE1","C2BBe1","C2BBe1",NA,NA,"large_intestine","large_intestine",NA,NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","C2BBE1","large_intestine",NA,NA,NA,NA,"CVCL_1096","C2BBe1_153_2019","C2BBe1","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000009",NA,NA,NA,NA
+"189","C32 [Human melanoma]","Skin","C32","C32","C32TG",NA,"C32",NA,"C32",NA,"C32","C32","C32",NA,"C32","C32","C32",NA,NA,"skin","skin","skin",NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin","C32","skin",NA,NA,NA,NA,"CVCL_1097","C32_154_2019","C32","skin","Amelanotic melanoma","Cancer cell line",NA,"ACH-000580","C32","Skin",NA,NA
+"190","C32TG","Skin",NA,NA,NA,NA,"C32TG",NA,NA,NA,NA,NA,NA,NA,NA,"C32TG",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2324","C32TG_155_2019",NA,"skin","Amelanotic melanoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"191","C396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C3961912021_",NA,NA,NA,NA,NA,"ACH-001818",NA,NA,NA,NA
+"192","C75","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5248","C751922021_",NA,NA,NA,NA,NA,"ACH-001458",NA,NA,NA,NA
+"193","C80","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5249","C801932021_",NA,NA,NA,NA,NA,"ACH-001459",NA,NA,NA,NA
+"194","C8166","Lymphoid","C8166","C8166",NA,NA,NA,NA,"C8166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1099","C8166_157_2019",NA,"haematopoietic_and_lymphoid_tissue",NA,"Transformed cell line",NA,"ACH-000206",NA,NA,NA,NA
+"195","C84","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5250","C841952021_",NA,NA,NA,NA,NA,"ACH-001460",NA,NA,NA,NA
+"196","C99","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8176","C991962021_",NA,NA,NA,NA,NA,"ACH-001461",NA,NA,NA,NA
+"197","CA-HPV-10","Prostate",NA,NA,"CAHPV10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prostate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CA-HPV-101972021_",NA,"prostate",NA,NA,NA,NA,NA,NA,NA,NA
+"198","CA46","Lymphoid","CA46","CA46","CA46",NA,"CA46",NA,"CA46",NA,"CA46","CA46","CA46",NA,"CA46","CA46","CA46",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1101","CA46_159_2019","CA46","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-000440",NA,NA,NA,NA
+"199","CADO-ES1","Bone",NA,"CADO-ES1",NA,NA,NA,NA,"CADO-ES1",NA,"CADO-ES1","CADO-ES1","CADO-ES1",NA,"CADOES1",NA,"CADO-ES1",NA,"CADOES1_BONE",NA,"bone",NA,NA,NA,NA,"bone","bone",NA,NA,NA,"bone","bone",NA,"bone",NA,NA,NA,NA,NA,"bone","CVCL_1103","CADOES1_162_2019","CADO-ES1","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-000210",NA,NA,NA,NA
+"200","CAL-120","Breast","CAL-120","CAL-120",NA,"CAL120","CAL-120",NA,"CAL-120",NA,"CAL-120","CAL-120","CAL-120","cal120","CAL120","CAL-120","CAL-120",NA,"CAL120_BREAST","breast","breast",NA,"breast","Breast",NA,"Breast","breast","breast","5-cal120///CAL-120","breast","breast","breast","Breast","breast",NA,NA,"CAL120","breast",NA,"breast","CVCL_1104","CAL120_165_2019","CAL-120","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000212",NA,NA,NA,NA
+"201","CAL-12T","Lung","CAL-12T","CAL-12T",NA,NA,"CAL-12T","CAL12T","CAL-12T",NA,"CAL-12T","CAL-12T","CAL-12T",NA,"CAL12T","CAL-12T","CAL-12T",NA,"CAL12T_LUNG","lung","lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","CAL12T","lung",NA,NA,NA,"lung","CVCL_1105","CAL12T_166_2019","CAL-12T","lung","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-000826",NA,NA,NA,NA
+"202","CAL-148","Breast","CAL-148","CAL-148",NA,"CAL148","CAL-148",NA,"CAL-148",NA,"CAL-148","CAL-148","CAL-148","cal148","CAL148","CAL-148","CAL-148",NA,NA,"breast","breast",NA,"breast","Breast",NA,"breast","breast","breast","CAL148","breast","breast","breast","Breast","breast","CAL148","breast","CAL148","breast",NA,NA,"CVCL_1106","CAL148_167_2019","CAL-148","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000902",NA,NA,NA,NA
+"203","CAL-27","Head and Neck","CAL-27","CAL 27","CAL27",NA,"CAL 27",NA,"CAL-27",NA,"CAL_27","CAL_27","CAL-27",NA,"CAL27","CAL 27","CAL-27",NA,"CAL27_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","head_and_neck",NA,"Tongue",NA,"Mouth","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract","Head and Neck","upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive","CVCL_1107","CAL27_168_2019","CAL-27","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000832",NA,NA,NA,NA
+"204","CAL-29","Bladder/Urinary Tract",NA,"CAL-29",NA,NA,NA,NA,"CAL-29",NA,"CAL-29","CAL-29","CAL-29",NA,"CAL29",NA,"CAL-29",NA,"CAL29_URINARY_TRACT",NA,"urinary_tract",NA,NA,NA,NA,"Bladder","urinary_tract",NA,NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract",NA,NA,NA,NA,NA,"urinary_tract","CVCL_1808","CAL29_169_2019","CAL-29","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000142",NA,NA,NA,NA
+"205","CAL-33","Head and Neck","CAL-33","CAL-33",NA,NA,NA,NA,"CAL-33",NA,"CAL-33","CAL-33","CAL-33",NA,"CAL33",NA,"CAL-33",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,NA,NA,"H&N","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1108","CAL33_170_2019","CAL-33","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000518",NA,NA,NA,NA
+"206","CAL-39","Vulva/Vagina","CAL-39",NA,NA,NA,NA,NA,"CAL-39","CAL-39",NA,NA,"CAL-39",NA,NA,NA,"CAL-39",NA,NA,"vulva",NA,NA,NA,NA,NA,"Cervix",NA,"urogenital_system",NA,NA,"vulva",NA,NA,"vulva",NA,NA,NA,NA,NA,NA,"CVCL_1109","CAL39_171_2019","CAL-39","vulva","Vulvar squamous cell carcinoma","Cancer cell line",NA,"ACH-002091",NA,NA,NA,NA
+"207","CAL-51","Breast","CAL-51","CAL-51",NA,"CAL51","CAL51",NA,"CAL-51",NA,"CAL-51","CAL-51","CAL-51","cal51","CAL51","CAL51","CAL-51",NA,"CAL51_BREAST","breast","breast",NA,"breast","Breast",NA,"Breast","breast",NA,"3-cal51///CAL-51","breast","breast","breast","Breast","breast","CAL51","breast","CAL51","breast",NA,"breast","CVCL_1110","CAL51_172_2019","CAL-51","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000856",NA,NA,NA,NA
+"208","CAL-54","Kidney","CAL-54","CAL-54","CAL54",NA,"CAL 54",NA,"CAL-54",NA,"CAL-54","CAL-54","CAL-54",NA,"CAL54","CAL 54","CAL-54",NA,"CAL54_KIDNEY","kidney","kidney","kidney",NA,"Kidney",NA,"Kidney","kidney","kidney",NA,NA,"kidney","kidney","Kidney","kidney","CAL54","kidney",NA,NA,NA,"kidney","CVCL_1111","CAL54_173_2019","CAL-54","kidney","Renal cell carcinoma","Cancer cell line",TRUE,"ACH-000457",NA,NA,NA,NA
+"209","CAL-62","Thyroid","CAL-62","CAL-62","CAL62",NA,NA,NA,"CAL-62",NA,"CAL-62","CAL-62","CAL-62",NA,"CAL62",NA,"CAL-62",NA,"CAL62_THYROID","thyroid","thyroid","thyroid_gland",NA,NA,NA,"thyroid","thyroid","thyroid",NA,NA,"thyroid","thyroid",NA,"thyroid",NA,NA,NA,NA,NA,"thyroid","CVCL_1112","CAL62_174_2019","CAL-62","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",NA,"ACH-000174",NA,NA,NA,NA
+"210","CAL-72","Bone","CAL-72",NA,NA,NA,NA,NA,"CAL-72","CAL-72",NA,NA,"CAL-72",NA,NA,NA,"CAL-72",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1113","CAL72_175_2019","CAL-72","bone","Osteosarcoma","Cancer cell line",NA,"ACH-001715",NA,NA,NA,NA
+"211","CAL-78","Bone",NA,"CAL-78",NA,NA,NA,NA,"CAL-78","CAL-78","CAL-78","CAL-78","CAL-78",NA,"CAL78",NA,"CAL-78",NA,"CAL78_BONE",NA,"bone",NA,NA,NA,NA,"Bone","soft_tissue",NA,NA,NA,"soft_tissue","bone",NA,"soft_tissue","CAL78","bone",NA,NA,NA,"bone","CVCL_1809","CAL78_176_2019","CAL-78","soft_tissue","Dedifferentiated chondrosarcoma","Cancer cell line",NA,"ACH-000516",NA,NA,NA,NA
+"212","CAL-85-1","Breast","CAL-85-1","CAL-85-1",NA,"CAL851","CAL-85-1",NA,"CAL-85-1",NA,"CAL-85-1","CAL-85-1","CAL-85-1","cal851","CAL851","CAL-85-1","CAL-85-1",NA,NA,"breast","breast",NA,"breast","Breast",NA,"Breast","breast","breast",NA,"breast","breast","breast",NA,"breast",NA,NA,"CAL851","breast",NA,NA,"CVCL_1114","CAL851_177_2019","CAL-85-1","breast","Breast carcinoma","Cancer cell line",NA,"ACH-000857",NA,NA,NA,NA
+"213","CAMA-1","Breast","CAMA-1","CAMA-1",NA,"CAMA1","CAMA-1",NA,"CAMA-1",NA,"CAMA-1","CAMA-1","CAMA-1","cama1","CAMA1","CAMA-1","CAMA-1",NA,"CAMA1_BREAST","breast","breast",NA,"breast","Breast",NA,"Breast","breast","breast","12-cama1///CAMA1///CAMA-1","breast","breast","breast","Breast","breast","CAMA1","breast",NA,NA,NA,"breast","CVCL_1115","CAMA1_181_2019","CAMA-1","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000783",NA,NA,NA,NA
+"214","CAS-1","CNS/Brain","CAS-1","CAS-1",NA,NA,NA,NA,"CAS-1",NA,"CAS-1","CAS-1","CAS-1",NA,"CAS1",NA,"CAS-1",NA,NA,"central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1117","CAS1_187_2019","CAS-1","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000464",NA,NA,NA,NA
+"215","CC-LP-1","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0205","CC-LP-12152021_",NA,NA,NA,NA,NA,"ACH-001959",NA,NA,NA,NA
+"216","CC-SW-1","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A429","CC-SW-12162021_",NA,NA,NA,NA,NA,"ACH-001960",NA,NA,NA,NA
+"217","CCD-19Lu","Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCD-19LU",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fibroblast",NA,"CVCL_2382","CCD-19Lu2172021_",NA,NA,NA,"Finite cell line",NA,NA,NA,NA,NA,NA
+"218","CCF-STTG1","CNS/Brain","CCF-STTG1","CCF-STTG1","CCFSTTG1",NA,NA,NA,"CCF-STTG1",NA,"CCF-STTG1","CCF-STTG1","CCF-STTG1",NA,"CCFSTTG1","CCF-STTG1","CCF-STTG1",NA,"CCFSTTG1_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","CCFSTTG1","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1118","CCFSTTG1_188_2019","CCF-STTG1","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000329",NA,NA,NA,NA
+"219","CCK-81","Bowel",NA,"CCK-81",NA,NA,NA,NA,"CCK-81","CCK-81","CCK-81","CCK-81","CCK-81",NA,"CCK81",NA,"CCK-81",NA,NA,NA,"large_intestine",NA,NA,NA,NA,"Intestine","large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,"large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_2873","CCK81_189_2019","CCK-81","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000963",NA,NA,NA,NA
+"220","CCLFPEDS0001T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCLFPEDS0001T2202021_",NA,NA,NA,NA,NA,"ACH-001163",NA,NA,NA,NA
+"221","CCLFPEDS0003T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCLFPEDS0003T2212021_",NA,NA,NA,NA,NA,"ACH-001164",NA,NA,NA,NA
+"222","CCLFPEDS0008T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCLFPEDS0008T2222021_",NA,NA,NA,NA,NA,"ACH-001433",NA,NA,NA,NA
+"223","CCLFPEDS0018T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCLFPEDS0018T2232021_",NA,NA,NA,NA,NA,"ACH-001767",NA,NA,NA,NA
+"224","CCLFUPGI0005T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCLFUPGI0005T2242021_",NA,NA,NA,NA,NA,"ACH-002446",NA,NA,NA,NA
+"225","CCRF-CEM","Lymphoid","CCRF-CEM",NA,"CCRFCEM",NA,NA,NA,"CCRF-CEM","CCRF-CEM",NA,NA,"CCRF-CEM",NA,NA,NA,"CCRF-CEM","CCRF-CEM///LE.CCRF.CEM",NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"CCRFCEM","blood","Leukemia",NA,"CVCL_0207","CCRFCEM_190_2019","CCRF-CEM","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-001738",NA,NA,NA,NA
+"226","CCRF-HSB-2","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1859","CCRF-HSB-22262021_",NA,NA,NA,NA,NA,"ACH-001737",NA,NA,NA,NA
+"227","CCRF-SB","Lymphoid",NA,NA,NA,NA,"CCRF-SB",NA,NA,NA,NA,NA,NA,NA,NA,"CCRF-SB",NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1860","CCRFSB_191_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,NA,NA,NA,NA,NA
+"228","CEM/C1","Lymphoid",NA,NA,"CEMC1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CEM/C12282021_",NA,"haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia",NA,NA,NA,NA,NA,NA,NA
+"229","CESS","Myeloid","CESS",NA,"CESS",NA,NA,NA,"CESS","CESS",NA,NA,"CESS",NA,NA,NA,"CESS",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0209","CESS_192_2019","CESS","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Transformed cell line",NA,"ACH-002218",NA,NA,NA,NA
+"230","CFPAC-1","Pancreas","CFPAC-1","CFPAC-1",NA,NA,"CFPAC-1","CFPAC1","CFPAC-1",NA,"CFPAC-1","CFPAC-1","CFPAC-1",NA,"CFPAC1","CFPAC-1","CFPAC-1",NA,"CFPAC1_PANCREAS","pancreas","pancreas",NA,NA,"Pancreas","PANCREAS","Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","CFPAC1","pancreas",NA,NA,NA,"pancreas","CVCL_1119","CFPAC1_193_2019","CFPAC-1","pancreas","Cystic fibrosis","Cancer cell line",TRUE,"ACH-000138",NA,NA,NA,NA
+"231","CGTH-W-1","Thyroid","CGTH-W-1","CGTH-W-1","CGTHW1",NA,NA,NA,"CGTH-W-1","CGTH-W-1",NA,NA,"CGTH-W-1",NA,"CGTHW1","CGTH-W-1","CGTH-W-1",NA,NA,"thyroid","thyroid","thyroid_gland",NA,NA,NA,"Thyroid",NA,"thyroid",NA,NA,"thyroid","thyroid","Thyroid","thyroid","CGTHW1","thyroid",NA,NA,NA,NA,"CVCL_1120","CGTHW1_194_2019","CGTH-W-1","thyroid","Thyroid gland squamous cell carcinoma","Cancer cell line",NA,"ACH-001023",NA,NA,NA,NA
+"232","CH-157MN","CNS/Brain",NA,"CH-157MN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5723","CH157MN_195_2019",NA,"central_nervous_system","Meningioma","Cancer cell line",NA,"ACH-000025",NA,NA,NA,NA
+"233","CHA59","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHA-59",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bone/Muscle",NA,"CVCL_GZ61","CHA592332021_",NA,NA,"Osteosarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"234","CHL-1","Skin","CHL-1","CHL-1","CHL1",NA,"CHL-1",NA,"CHL-1","CHL-1",NA,NA,"CHL-1",NA,NA,"CHL-1","CHL-1",NA,"CHL1_SKIN","skin","skin","skin",NA,"Skin",NA,"Skin",NA,"skin",NA,NA,"skin",NA,"Lung","skin",NA,NA,NA,NA,NA,"skin","CVCL_1122","CHL1_197_2019","CHL-1","skin","Melanoma","Cancer cell line",TRUE,"ACH-001024",NA,NA,NA,NA
+"235","CHLA-06-ATRT","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_AQ42","CHLA-06-ATRT2352021_",NA,NA,NA,NA,NA,"ACH-001028",NA,NA,NA,NA
+"236","CHLA-10","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6583","CHLA-102362021_",NA,NA,NA,NA,NA,"ACH-001029",NA,NA,NA,NA
+"237","CHLA-15","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6594","CHLA-152372021_",NA,NA,NA,NA,NA,"ACH-001300",NA,NA,NA,NA
+"238","CHLA-218","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0B48","CHLA-2182382021_",NA,NA,NA,NA,NA,"ACH-001030",NA,NA,NA,NA
+"239","CHLA-258","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A058","CHLA-2582392021_",NA,NA,NA,NA,NA,"ACH-001282",NA,NA,NA,NA
+"240","CHLA-266","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M149","CHLA-2662402021_",NA,NA,NA,NA,NA,"ACH-001031",NA,NA,NA,NA
+"241","CHLA-32","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M151","CHLA-322412021_",NA,NA,NA,NA,NA,"ACH-001032",NA,NA,NA,NA
+"242","CHLA-57","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0B49","CHLA-572422021_",NA,NA,NA,NA,NA,"ACH-001033",NA,NA,NA,NA
+"243","CHLA-9","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M150","CHLA-92432021_",NA,NA,NA,NA,NA,"ACH-001034",NA,NA,NA,NA
+"244","CHLA-99","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0B50","CHLA-992442021_",NA,NA,NA,NA,NA,"ACH-001035",NA,NA,NA,NA
+"245","CHO","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHO",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miscellaneous Tumors",NA,"CVCL_0213","CHO2452021_",NA,NA,NA,"Spontaneously immortalized cell line",NA,NA,NA,NA,NA,NA
+"246","CHO/159-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHO/159-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miscellaneous Tumors",NA,NA,"CHO/159-12462021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"247","CHP-126","Peripheral Nervous System","CHP-126","CHP-126",NA,NA,NA,NA,"CHP-126",NA,"CHP-126","CHP-126","CHP-126",NA,"CHP126",NA,"CHP-126",NA,NA,"autonomic_ganglia","autonomic_ganglia",NA,NA,NA,NA,"Brain","autonomic_ganglia","nervous_system",NA,NA,"autonomic_ganglia","autonomic_ganglia",NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1123","CHP126_198_2019","CHP-126","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-000136",NA,NA,NA,NA
+"248","CHP-134","Peripheral Nervous System","CHP-134",NA,NA,NA,NA,NA,"CHP-134","CHP-134",NA,NA,"CHP-134",NA,NA,NA,"CHP-134",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1124","CHP134_199_2019","CHP-134","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-001338",NA,NA,NA,NA
+"249","CHP-212","Peripheral Nervous System","CHP-212","CHP-212","CHP212",NA,"CHP-212",NA,"CHP-212",NA,"CHP-212","CHP-212","CHP-212",NA,"CHP212","CHP-212","CHP-212",NA,NA,"autonomic_ganglia","autonomic_ganglia","brain",NA,"Brain",NA,"Brain","autonomic_ganglia","nervous_system",NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","CHP212","autonomic_ganglia",NA,NA,NA,NA,"CVCL_1125","CHP212_200_2019","CHP-212","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-000120",NA,NA,NA,NA
+"250","CHSA0011","Bone",NA,NA,NA,NA,NA,NA,"CHSA0011","CHSA0011",NA,NA,"CHSA0011",NA,NA,NA,"CHSA0011",NA,NA,NA,NA,NA,NA,NA,NA,"Bone",NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_X483","CHSA0011_201_2019","CHSA0011","bone","Chondrosarcoma","Cancer cell line",NA,"ACH-002092",NA,NA,NA,NA
+"251","CHSA0108","Bone",NA,NA,NA,NA,NA,NA,"CHSA0108","CHSA0108",NA,NA,"CHSA0108",NA,NA,NA,"CHSA0108",NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_X484","CHSA0108_202_2019","CHSA0108","bone","Chondrosarcoma","Cancer cell line",NA,"ACH-002093",NA,NA,NA,NA
+"252","CHSA8926","Bone",NA,NA,NA,NA,NA,NA,"CHSA8926","CHSA8926",NA,NA,"CHSA8926",NA,NA,NA,"CHSA8926",NA,NA,NA,NA,NA,NA,NA,NA,"0",NA,NA,NA,NA,NA,NA,NA,"other",NA,NA,NA,NA,NA,NA,"CVCL_X485","CHSA8926_203_2019","CHSA8926","other","Chondrosarcoma","Cancer cell line",NA,"ACH-002094",NA,NA,NA,NA
+"253","CI","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_Y548","CI2532021_",NA,NA,NA,NA,NA,"ACH-001484",NA,NA,NA,NA
+"254","CII","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0D73","CII2542021_",NA,NA,NA,NA,NA,"ACH-001485",NA,NA,NA,NA
+"255","CJM [Human melanoma]","Skin",NA,"CJM",NA,NA,NA,NA,NA,NA,"CJM","CJM",NA,NA,"CJM",NA,NA,NA,"CJM_SKIN",NA,"skin",NA,NA,NA,NA,NA,"skin",NA,NA,NA,"skin","skin",NA,NA,"CJM","skin",NA,NA,NA,"skin","CVCL_U797","CJM_205_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000458",NA,NA,NA,NA
+"256","CL-11","Bowel",NA,"CL-11",NA,NA,"CL-11",NA,"CL-11",NA,"CL-11","CL-11","CL-11",NA,"CL11","CL-11","CL-11",NA,NA,NA,"large_intestine",NA,NA,"Colon",NA,"Intestine","large_intestine",NA,NA,NA,NA,"large_intestine",NA,"large_intestine","CL11","large_intestine",NA,NA,NA,NA,"CVCL_1978","CL11_206_2019","CL-11","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000249",NA,NA,NA,NA
+"257","CL-14","Bowel",NA,"CL-14",NA,NA,NA,NA,NA,NA,"CL-14","CL-14",NA,NA,NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1979","CL14_207_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000342",NA,NA,NA,NA
+"258","CL-34","Bowel",NA,"CL-34",NA,NA,"CL-34","CL34","CL-34",NA,"CL-34","CL-34","CL-34",NA,"CL34","CL-34","CL-34",NA,"CL34_LARGE_INTESTINE",NA,"large_intestine",NA,NA,"Colon","LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,NA,NA,"large_intestine",NA,"large_intestine","CL34","large_intestine",NA,NA,NA,"colorectal","CVCL_1980","CL34_208_2019","CL-34","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000895",NA,NA,NA,NA
+"259","CL-40","Bowel",NA,"CL-40",NA,NA,"CL-40","CL40","CL-40","CL-40","CL-40","CL-40","CL-40",NA,NA,"CL-40","CL-40",NA,NA,NA,"large_intestine",NA,NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine",NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_1982","CL40_209_2019","CL-40","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000798",NA,NA,NA,NA
+"260","CME-1","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N586","CME-12602021_",NA,NA,NA,NA,NA,"ACH-001322",NA,NA,NA,NA
+"261","CMK","Myeloid","CMK","CMK",NA,NA,NA,NA,"CMK",NA,"CMK","CMK","CMK",NA,"CMK",NA,"CMK",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0216","CMK_210_2019","CMK","haematopoietic_and_lymphoid_tissue","Down syndrome","Cancer cell line",NA,"ACH-000641",NA,NA,NA,NA
+"262","CMK-11-5","Myeloid",NA,"CMK-11-5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0217","CMK115_211_2019",NA,"haematopoietic_and_lymphoid_tissue","Down syndrome","Cancer cell line",NA,"ACH-001036",NA,NA,NA,NA
+"263","CMK-86","Myeloid",NA,"CMK-86",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2804","CMK86_212_2019",NA,"haematopoietic_and_lymphoid_tissue","Down syndrome","Cancer cell line",NA,"ACH-001037",NA,NA,NA,NA
+"264","CML-T1","Myeloid","CML-T1","CML-T1","CMLT1",NA,NA,NA,"CML-T1","CML-T1","CML-T1","CML-T1","CML-T1",NA,"CMLT1",NA,"CML-T1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1126","CMLT1_213_2019","CML-T1","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000920",NA,NA,NA,NA
+"265","COG-AR-359","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_RS25","COG-AR-3592652021_",NA,NA,NA,NA,NA,"ACH-001289",NA,NA,NA,NA
+"266","COG-E-352","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M153","COG-E-3522662021_",NA,NA,NA,NA,NA,"ACH-001038",NA,NA,NA,NA
+"267","COG-N-278","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_AX49","COG-N-2782672021_",NA,NA,NA,NA,NA,"ACH-001301",NA,NA,NA,NA
+"268","COG-N-305","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_AX42","COG-N-3052682021_",NA,NA,NA,NA,NA,"ACH-001302",NA,NA,NA,NA
+"269","COLO 201","Bowel",NA,"COLO 201","COLO201",NA,"COLO 201",NA,NA,NA,"COLO_201","COLO_201",NA,NA,"COLO201","COLO 201",NA,NA,NA,NA,"large_intestine","colon",NA,"Colon",NA,NA,"large_intestine",NA,NA,NA,NA,"large_intestine","Colon",NA,NA,NA,NA,NA,NA,NA,"CVCL_1987","COLO201_214_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000253",NA,NA,NA,NA
+"270","COLO 205","Bowel","COLO-205","COLO 205","COLO205",NA,"COLO 205","COLO205","COLO-205","COLO-205",NA,NA,"COLO-205",NA,"COLO205","COLO 205","COLO-205","COLO 205///CO.COLO.205",NA,"large_intestine","large_intestine","colon",NA,"Colon","LARGE_INTESTINE","Intestin",NA,"digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine",NA,NA,NA,NA,"Colon Cancer///Colon",NA,"CVCL_0218","COLO205_221_2019","COLO-205","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-001039",NA,NA,NA,NA
+"271","COLO 206F","Bowel",NA,NA,NA,NA,"COLO 206F",NA,NA,NA,NA,NA,NA,NA,NA,"COLO 206F",NA,NA,NA,NA,NA,NA,NA,"Colon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1988","COLO206F_215_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"272","COLO 320","Bowel",NA,"COLO-320",NA,NA,NA,"COLO320","COLO-320",NA,"COLO-320","COLO-320",NA,NA,NA,"COLO 320",NA,NA,NA,NA,"large_intestine",NA,NA,NA,"LARGE_INTESTINE","Intestine","large_intestine",NA,NA,NA,NA,NA,"Colon","large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_1989","COLO320_222_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000202",NA,NA,NA,NA
+"273","COLO 320DM","Bowel",NA,NA,"COLO320DM",NA,"COLO 320DM",NA,NA,NA,NA,NA,NA,NA,NA,"COLO 320DM",NA,NA,NA,NA,NA,"lung",NA,"Colon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0219","COLO320DM_216_2019",NA,"lung","Colon adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"274","COLO 320HSR","Bowel","COLO-320-HSR",NA,"COLO320HSR",NA,NA,NA,"COLO-320-HSR","COLO-320-HSR",NA,NA,"COLO-320-HSR",NA,"COLO320","COLO 320HSR","COLO-320-HSR",NA,NA,"large_intestine",NA,"colon",NA,NA,NA,"Intestine",NA,"digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","COLO320","large_intestine",NA,NA,NA,NA,"CVCL_0220","COLO320HSR_223_2019","COLO-320-HSR","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-002219",NA,NA,NA,NA
+"275","COLO 668","Lung","COLO-668","COLO 668","COLO668",NA,NA,"COLO668","COLO-668",NA,"COLO_668","COLO_668","COLO-668",NA,"COLO668",NA,"COLO-668",NA,"COLO668_LUNG","lung","lung","lung",NA,NA,"LUNG","Lung","lung","lung",NA,NA,"lung","lung",NA,"lung","COLO668","lung",NA,NA,NA,"lung","CVCL_1128","COLO668_224_2019","COLO-668","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000803",NA,NA,NA,NA
+"276","COLO 677","Lymphoid",NA,"COLO-677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1862","COLO677_225_2019",NA,"lung","Plasma cell myeloma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"277","COLO 678","Bowel","COLO-678","COLO-678",NA,NA,"COLO 678","COLO678","COLO-678",NA,"COLO-678","COLO-678","COLO-678",NA,"COLO678","COLO 678","COLO-678",NA,NA,"large_intestine","large_intestine",NA,NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","COLO678","large_intestine",NA,NA,NA,NA,"CVCL_1129","COLO678_226_2019","COLO-678","large_intestine","Colon carcinoma","Cancer cell line",TRUE,"ACH-000350",NA,NA,NA,NA
+"278","COLO 679","Skin","COLO-679","COLO-679",NA,NA,"COLO 679",NA,"COLO-679",NA,"COLO-679","COLO-679","COLO-679",NA,NA,"COLO 679","COLO-679",NA,"COLO679_SKIN","skin","skin",NA,NA,"Skin",NA,"Skin","skin",NA,NA,NA,"skin",NA,"Skin","skin","COLO679","skin",NA,NA,NA,"skin","CVCL_1130","COLO679_227_2019","COLO-679","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000805",NA,NA,NA,NA
+"279","COLO 680N","Esophagus/Stomach","COLO-680N","COLO-680N",NA,NA,"COLO 680N",NA,"COLO-680N",NA,"COLO-680N","COLO-680N","COLO-680N",NA,"COLO680N","COLO 680N","COLO-680N",NA,"COLO680N_OESOPHAGUS","oesophagus","oesophagus",NA,NA,"Esophagus",NA,"Esophag","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","COLO680N","oesophagus",NA,NA,NA,"esophagus","CVCL_1131","COLO680N_228_2019","COLO-680N","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000717",NA,NA,NA,NA
+"280","COLO 684","Uterus","COLO-684","COLO 684",NA,NA,NA,NA,"COLO-684",NA,"COLO_684","COLO_684","COLO-684",NA,"COLO684","COLO 684","COLO-684",NA,NA,"endometrium","endometrium",NA,NA,NA,NA,"Uterus","endometrium","urogenital_system",NA,NA,"endometrium","endometrium","Uterus","endometrium",NA,NA,NA,NA,NA,NA,"CVCL_1132","COLO684_229_2019","COLO-684","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000864",NA,NA,NA,NA
+"281","COLO 699","Lung",NA,"COLO-699",NA,NA,"COLO 699","COLO699",NA,NA,NA,NA,NA,NA,"COLO699","COLO 699",NA,NA,NA,NA,NA,NA,NA,"Lung","LUNG",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"COLO699",NA,NA,NA,NA,NA,"CVCL_1992","COLO699_230_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-001041",NA,NA,NA,NA
+"282","COLO 704","Ovary/Fallopian Tube",NA,"COLO-704","COLO704",NA,"COLO-704",NA,NA,NA,NA,NA,NA,NA,NA,"COLO-704",NA,NA,NA,NA,"ovary","ovary",NA,"Ovary",NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1994","COLO704_231_2019",NA,"ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-001042",NA,NA,NA,NA
+"283","COLO 720E","Ovary/Fallopian Tube","COLO-720E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COLO 720E2832021_",NA,"ovary","High grade ovarian serous adenocarcinoma",NA,NA,NA,NA,NA,NA,NA
+"284","COLO 741","Skin","COLO-741","COLO 741",NA,NA,"COLO 741","COLO741","COLO-741","COLO-741","COLO_741","COLO_741","COLO-741",NA,"COLO741","COLO 741",NA,"COLO 741","COLO741_SKIN","large_intestine","skin",NA,NA,"Colon","SKIN","Intestin","large_intestine","digestive_system",NA,NA,"large_intestine","skin","Colon","large_intestine",NA,NA,NA,NA,"Colon Cancer","skin","CVCL_1133","COLO741_232_2019",NA,"large_intestine","Melanoma","Cancer cell line",TRUE,"ACH-000582",NA,NA,NA,NA
+"285","COLO 746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COLO 746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"COLO 7462852021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"286","COLO 775","Lymphoid",NA,"COLO 775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1996","COLO775_217_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-001043",NA,NA,NA,NA
+"287","COLO 783","Skin",NA,"COLO-783",NA,NA,"COLO-783",NA,"COLO-783",NA,"COLO-783","COLO-783","COLO-783",NA,NA,"COLO 783","COLO-783",NA,"COLO783_SKIN",NA,"skin",NA,NA,"Skin",NA,"Skin","skin",NA,NA,NA,NA,NA,NA,"skin","COLO783","skin",NA,NA,NA,"skin","CVCL_1997","COLO783_233_2019","COLO-783","skin","Melanoma","Cancer cell line",TRUE,"ACH-000812",NA,NA,NA,NA
+"288","COLO 792","Skin","COLO-792","COLO 792",NA,NA,"COLO 792",NA,"COLO-792",NA,"COLO_792","COLO_792","COLO-792",NA,"COLO792","COLO 792","COLO-792",NA,"COLO792_SKIN","skin","skin",NA,NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin",NA,"skin",NA,NA,NA,NA,NA,"skin","CVCL_1134","COLO792_234_2019","COLO-792","skin","Melanoma","Cancer cell line",TRUE,"ACH-000968","COLO792","Skin",NA,NA
+"289","COLO 794","Skin",NA,NA,NA,NA,"COLO 794",NA,NA,NA,NA,NA,NA,NA,NA,"COLO 794",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2408","COLO794_218_2019",NA,"skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-001339",NA,NA,NA,NA
+"290","COLO 800","Skin","COLO-800","COLO-800",NA,NA,"COLO 800",NA,"COLO-800",NA,"COLO-800","COLO-800","COLO-800",NA,"COLO800","COLO 800","COLO-800",NA,"COLO800_SKIN","skin","skin",NA,NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin","COLO800","skin",NA,NA,NA,"skin","CVCL_1135","COLO800_235_2019","COLO-800","skin","Cutaneous melanoma","Cancer cell line",TRUE,"ACH-000401","COLO800","Skin",NA,NA
+"291","COLO 818","Skin",NA,"COLO-818",NA,NA,"COLO-818",NA,NA,NA,NA,NA,NA,NA,NA,"COLO-818",NA,NA,NA,NA,"skin",NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1998","COLO818_236_2019",NA,"skin","Cutaneous melanoma","Cancer cell line",TRUE,"ACH-001044",NA,NA,NA,NA
+"292","COLO 824","Breast","COLO-824",NA,NA,"COLO824",NA,NA,"COLO-824","COLO-824",NA,NA,"COLO-824",NA,NA,"COLO 824","COLO-824",NA,NA,"breast",NA,NA,"breast",NA,NA,"Breast",NA,"breast",NA,NA,"breast",NA,NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_1136","COLO824_237_2019","COLO-824","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001820",NA,NA,NA,NA
+"293","COLO 829","Skin","COLO-829","COLO 829","COLO829",NA,"COLO 829",NA,"COLO-829",NA,"COLO_829","COLO_829","COLO-829",NA,"COLO829","COLO 829","COLO-829",NA,NA,"skin","skin","skin",NA,"Skin",NA,"skin","skin","skin",NA,NA,"skin","skin","Blood","skin","COLO829","skin",NA,NA,NA,NA,"CVCL_1137","COLO829_238_2019","COLO-829","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000644","COLO829","Skin",NA,NA
+"294","COLO 829BL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1999","COLO 829BL2942021_",NA,NA,NA,NA,NA,"ACH-002380",NA,NA,NA,NA
+"295","COLO 849","Skin",NA,"COLO-849",NA,NA,"COLO 849",NA,NA,NA,NA,NA,NA,NA,NA,"COLO-849",NA,NA,NA,NA,"skin",NA,NA,"Skin",NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2002","COLO849_239_2019",NA,"skin","Cutaneous melanoma","Cancer cell line",TRUE,"ACH-001045",NA,NA,NA,NA
+"296","COLO 853","Skin",NA,NA,NA,NA,"COLO 853",NA,NA,NA,NA,NA,NA,NA,NA,"COLO 853",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2003","COLO853_219_2019",NA,"skin","Cutaneous melanoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"297","COLO 857","Skin",NA,NA,NA,NA,"COLO 857",NA,NA,NA,NA,NA,NA,NA,NA,"COLO 857",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2004","COLO857_220_2019",NA,"skin","Cutaneous melanoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"298","COLO_005","Other",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COLO_005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,"COLO_0052982021_",NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA
+"299","COLO_011","Other",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COLO_011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,"COLO_0112992021_",NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA
+"300","COLO_021","Other",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COLO_021",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,"COLO_0213002021_",NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA
+"301","COR-L105","Lung","COR-L105","COR-L105","CORL105",NA,NA,NA,"COR-L105",NA,"COR-L105","COR-L105","COR-L105",NA,"CORL105",NA,"COR-L105",NA,"CORL105_LUNG","lung","lung","lung",NA,NA,NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","CORL105","lung",NA,NA,NA,"lung","CVCL_1138","CORL105_240_2019","COR-L105","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000161",NA,NA,NA,NA
+"302","COR-L23","Lung","COR-L23","COR-L23","CORL23",NA,NA,"CORL23",NA,NA,"COR-L23","COR-L23","COR-L23",NA,NA,NA,"COR-L23",NA,"CORL23_LUNG","lung","lung","lung",NA,NA,"LUNG",NA,"lung","lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,"lung","CVCL_1139","CORL23_241_2019","COR-L23","lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000662",NA,NA,NA,NA
+"303","COR-L24","Lung",NA,"COR-L24",NA,NA,NA,NA,NA,NA,"COR-L24","COR-L24",NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2409","CORL24_242_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000382",NA,NA,NA,NA
+"304","COR-L26","Lung",NA,NA,NA,NA,"COR-L26",NA,NA,NA,NA,NA,NA,NA,NA,"COR-L26",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2410","CORL26_243_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"305","COR-L279","Lung","COR-L279","COR-L279","CORL279",NA,"COR-L279","CORL279","COR-L279",NA,"COR-L279","COR-L279","COR-L279",NA,"CORL279","COR-L279","COR-L279",NA,NA,"lung","lung","lung",NA,"Lung","LUNG","lung","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1140","CORL279_244_2019","COR-L279","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000257",NA,NA,NA,NA
+"306","COR-L303","Lung",NA,NA,NA,NA,NA,NA,"COR-L303","COR-L303",NA,NA,"COR-L303",NA,NA,NA,"COR-L303",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_2411","CORL303_245_2019","COR-L303","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-002095",NA,NA,NA,NA
+"307","COR-L311","Lung",NA,"COR-L311",NA,NA,NA,NA,"COR-L311",NA,"COR-L311","COR-L311","COR-L311",NA,NA,NA,"COR-L311",NA,NA,NA,"lung",NA,NA,NA,NA,"Lung","lung",NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_2412","CORL311_246_2019","COR-L311","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000187",NA,NA,NA,NA
+"308","COR-L32","Lung",NA,NA,NA,NA,NA,NA,"COR-L32","COR-L32",NA,NA,"COR-L32",NA,NA,NA,"COR-L32",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_2413","CORL32_247_2019","COR-L32","lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-001489",NA,NA,NA,NA
+"309","COR-L321","Lung",NA,NA,NA,NA,NA,NA,"COR-L321","COR-L321",NA,NA,"COR-L321",NA,NA,NA,"COR-L321",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_2414","CORL321_248_2019","COR-L321","lung","Lung carcinoma","Cancer cell line",NA,"ACH-001490",NA,NA,NA,NA
+"310","COR-L47","Lung",NA,"COR-L47",NA,NA,"COR-L47",NA,NA,NA,"COR-L47","COR-L47",NA,NA,"CORL47","COR-L47",NA,NA,NA,NA,"lung",NA,NA,"Lung",NA,NA,"lung",NA,NA,NA,"lung","lung",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2415","CORL47_249_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000695",NA,NA,NA,NA
+"311","COR-L51","Lung","COR-L51","COR-L51",NA,NA,NA,"CORL51","COR-L23",NA,NA,NA,NA,NA,"CORL51",NA,NA,NA,NA,"lung","lung",NA,NA,NA,"LUNG","Lung:NSCLC",NA,NA,NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_2416","CORL51_250_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001047",NA,NA,NA,NA
+"312","COR-L88","Lung","COR-L88","COR-L88","CORL88",NA,"COR-L88","CORL88","COR-L88",NA,"COR-L88","COR-L88","COR-L88",NA,"CORL88","COR-L88","COR-L88",NA,NA,"lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1141","CORL88_251_2019","COR-L88","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000508",NA,NA,NA,NA
+"313","COR-L95","Lung",NA,"COR-L95",NA,NA,NA,NA,"COR-L95",NA,"COR-L95","COR-L95","COR-L95",NA,"CORL95",NA,"COR-L95",NA,NA,NA,"lung",NA,NA,NA,NA,"Lung","lung",NA,NA,NA,NA,"lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_2418","CORL95_252_2019","COR-L95","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000743",NA,NA,NA,NA
+"314","COR-L96-CAR","Lung","COR-L96CAR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COR-L96-CAR3142021_",NA,"lung","Small cell lung carcinoma",NA,NA,NA,NA,NA,NA,NA
+"315","COV318","Ovary/Fallopian Tube",NA,"COV318",NA,NA,"COV318","COV318",NA,NA,"COV318","COV318",NA,NA,NA,"COV318",NA,NA,NA,NA,"ovary",NA,NA,"Ovary","OVARY",NA,"ovary",NA,NA,NA,NA,NA,"Ovary",NA,"COV318","ovary",NA,NA,NA,NA,"CVCL_2419","COV318_253_2019",NA,"ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000256",NA,NA,NA,NA
+"316","COV362","Ovary/Fallopian Tube",NA,"COV362",NA,NA,"COV362","COV362",NA,NA,"COV362","COV362",NA,NA,"COV362","COV362",NA,NA,"COV362_OVARY",NA,"ovary",NA,NA,"Ovary","OVARY",NA,"ovary",NA,NA,NA,NA,"ovary",NA,NA,"COV362","ovary",NA,NA,NA,"ovary","CVCL_2420","COV362_254_2019",NA,"ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000278",NA,NA,NA,NA
+"317","COV413A","Ovary/Fallopian Tube",NA,NA,NA,NA,"COV413A",NA,NA,NA,NA,NA,NA,NA,NA,"COV413A",NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2422","COV413A_255_2019",NA,"ovary","Ovarian carcinoma","Cancer cell line",TRUE,"ACH-001340",NA,NA,NA,NA
+"318","COV413B","Ovary/Fallopian Tube",NA,NA,NA,NA,"COV413B",NA,NA,NA,NA,NA,NA,NA,NA,"COV413B",NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2423","COV413B_256_2019",NA,"ovary","Ovarian carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"319","COV434","Ovary/Fallopian Tube",NA,"COV434",NA,NA,"COV434","COV434",NA,NA,"COV434","COV434",NA,NA,"COV434","COV434",NA,NA,"COV434_OVARY",NA,"ovary",NA,NA,"Ovary","OVARY",NA,"ovary",NA,NA,NA,"ovary","ovary",NA,NA,"COV434","ovary",NA,NA,NA,"ovary","CVCL_2010","COV434_257_2019",NA,"ovary","Ovarian granulosa cell tumor","Cancer cell line",NA,"ACH-000123",NA,NA,NA,NA
+"320","COV504","Ovary/Fallopian Tube",NA,"COV504",NA,NA,"COV504",NA,NA,NA,"COV504",NA,NA,NA,NA,"COV504",NA,NA,NA,NA,"ovary",NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,"CVCL_2424","COV504_258_2019",NA,"ovary","Ovarian carcinoma","Cancer cell line",TRUE,"ACH-001048",NA,NA,NA,NA
+"321","COV644","Ovary/Fallopian Tube",NA,"COV644",NA,NA,"COV644","COV644",NA,NA,"COV644","COV644",NA,NA,"COV644","COV644",NA,NA,NA,NA,"ovary",NA,NA,"Ovary","OVARY",NA,"ovary",NA,NA,NA,NA,"ovary",NA,NA,"COV644","ovary",NA,NA,NA,NA,"CVCL_2425","COV644_259_2019",NA,"ovary","Ovarian carcinoma","Cancer cell line",NA,"ACH-000608",NA,NA,NA,NA
+"322","CP50-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_UY79","CP50-EBV3222021_",NA,NA,NA,NA,NA,"ACH-002346",NA,NA,NA,NA
+"323","CP50-MEL-B","Skin","CP50-MEL-B",NA,NA,NA,NA,NA,"CP50-MEL-B","CP50-MEL-B",NA,NA,"CP50-MEL-B",NA,NA,NA,"CP50-MEL-B",NA,NA,"skin",NA,NA,NA,NA,NA,"skin",NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1143","CP50MELB_260_2019","CP50-MEL-B","skin","Melanoma","Cancer cell line",NA,"ACH-002096",NA,NA,NA,NA
+"324","CP66-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU67","CP66-EBV3242021_",NA,NA,NA,NA,NA,"ACH-002347",NA,NA,NA,NA
+"325","CP66-MEL","Skin","CP66-MEL",NA,NA,NA,NA,NA,"CP66-MEL","CP66-MEL",NA,NA,"CP66-MEL",NA,NA,NA,"CP66-MEL",NA,NA,"skin",NA,NA,NA,NA,NA,"Skin",NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1144","CP66MEL_261_2019","CP66-MEL","skin","Melanoma","Cancer cell line",NA,"ACH-002097",NA,NA,NA,NA
+"326","CP67-MEL","Skin","CP67-MEL",NA,NA,NA,NA,NA,NA,"CP67-MEL",NA,NA,"CP67-MEL",NA,NA,NA,"CP67-MEL",NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1145","CP67MEL_262_2019","CP67-MEL","skin","Melanoma","Cancer cell line",NA,"ACH-002098",NA,NA,NA,NA
+"327","CPC-N","Lung","CPC-N","CPC-N",NA,NA,"CPC-N",NA,"CPC-N","CPC-N",NA,NA,"CPC-N",NA,NA,"CPC-N","CPC-N",NA,NA,"lung","lung",NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1146","CPCN_263_2019","CPC-N","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001049",NA,NA,NA,NA
+"328","CRO-AP2","Lymphoid","CRO-AP2",NA,"CROAP2",NA,NA,NA,"CRO-AP2","CRO-AP2",NA,NA,"CRO-AP2",NA,NA,NA,"CRO-AP2",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1147","CROAP2_264_2019","CRO-AP2","haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,"ACH-002220",NA,NA,NA,NA
+"329","CRO-AP3","Lymphoid",NA,NA,NA,NA,NA,NA,NA,"CRO-AP3",NA,NA,"CRO-AP3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1810","CROAP3_265_2019",NA,"haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,"ACH-002393",NA,NA,NA,NA
+"330","CRO-AP5","Lymphoid","CRO-AP5",NA,"CROAP5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CRO-AP53302021_",NA,"haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma",NA,NA,NA,NA,NA,NA,NA
+"331","CS-1 [Human chondrosarcoma]","Bone",NA,NA,NA,NA,NA,NA,"CS1","CS1",NA,NA,"CS1",NA,NA,NA,"CS1",NA,NA,NA,NA,NA,NA,NA,NA,"Bone",NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_T023","CS1_266_2019","CS1","bone","Chondrosarcoma","Cancer cell line",NA,"ACH-002099",NA,NA,NA,NA
+"332","CTB-1","Lymphoid","CTB-1",NA,NA,NA,NA,NA,"CTB-1","CTB-1",NA,NA,"CTB-1",NA,NA,NA,"CTB-1",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1149","CTB1_267_2019","CTB-1","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",TRUE,"ACH-002221",NA,NA,NA,NA
+"333","CTV-1","Lymphoid","CTV-1",NA,NA,NA,NA,NA,"CTV-1","CTV-1",NA,NA,"CTV-1",NA,NA,NA,"CTV-1",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1150","CTV1_268_2019","CTV-1","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002222",NA,NA,NA,NA
+"334","CW-2","Bowel","CW-2","CW-2",NA,NA,"CW-2","CW2","CW-2",NA,"CW-2","CW-2","CW-2",NA,"CW2","CW-2","CW-2",NA,NA,"large_intestine","large_intestine",NA,NA,"Colon","LARGE_INTESTINE","large_intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","CW2","large_intestine",NA,NA,NA,NA,"CVCL_1151","CW2_269_2019","CW-2","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000998",NA,NA,NA,NA
+"335","CW9019","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N820","CW90193352021_",NA,NA,NA,NA,NA,"ACH-001050",NA,NA,NA,NA
+"336","CX-1","Bowel",NA,NA,NA,NA,"CX-1",NA,NA,NA,NA,NA,NA,NA,NA,"CX-1",NA,NA,NA,NA,NA,NA,NA,"Colon",NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2011","CX1_270_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"337","CXF 264L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CXF 264L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"CXF 264L3372021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"338","Ca Ski","Cervix","Ca-Ski",NA,NA,NA,"Ca Ski",NA,"Ca-Ski","Ca-Ski",NA,NA,"Ca-Ski",NA,NA,"Ca Ski","Ca-Ski",NA,NA,"cervix",NA,NA,NA,"Cervix",NA,"Cervix",NA,"urogenital_system",NA,NA,"cervix",NA,"Cervix","cervix",NA,NA,NA,NA,NA,NA,"CVCL_1100","CaSki_158_2019","Ca-Ski","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001336",NA,NA,NA,NA
+"339","Ca9-22","Head and Neck","Ca9-22",NA,NA,NA,NA,NA,"Ca9-22","Ca9-22",NA,NA,"Ca9-22",NA,NA,"Ca9-22","Ca9-22",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"Head & Neck",NA,"aero_digestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1102","Ca922_160_2019","Ca9-22","upper_aerodigestive_tract","Gingival squamous cell carcinoma","Cancer cell line",NA,"ACH-002043",NA,NA,NA,NA
+"340","CaR-1","Bowel","CaR-1",NA,NA,NA,"CaR-1",NA,"CaR-1","CaR-1",NA,NA,"CaR-1",NA,NA,"CaR-1","CaR-1",NA,NA,"large_intestine",NA,NA,NA,"Colon",NA,"Intestine",NA,"digestive_system",NA,NA,"large_intestine",NA,"Colon","large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_1116","CaR1_186_2019","CaR-1","large_intestine","Rectal adenocarcinoma","Cancer cell line",TRUE,"ACH-002345",NA,NA,NA,NA
+"341","Caco-2","Bowel",NA,"CACO2///CACO2;CACO2;CaCo-2",NA,NA,"Caco-2",NA,NA,NA,NA,NA,NA,NA,NA,"Caco-2",NA,"CACO-2",NA,NA,NA,NA,NA,"Colon",NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,"CVCL_0025","Caco2_161_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000003",NA,NA,NA,NA
+"342","Caki-1","Kidney","CAKI-1","Caki-1","CAKI1",NA,"Caki-1",NA,"CAKI-1",NA,"Caki-1","Caki-1","CAKI-1",NA,"CAKI1","Caki-1","CAKI-1","CAKI-1///RE.CAKI.1","CAKI1_KIDNEY","kidney","kidney","kidney",NA,"Kidney",NA,"Kidney","kidney","kidney",NA,NA,"kidney","kidney","Kidney","kidney","CAKI1","kidney",NA,NA,"Renal Cancer///Renal","kidney","CVCL_0234","CAKI1_163_2019","CAKI-1","kidney","Clear cell renal cell carcinoma","Cancer cell line",TRUE,"ACH-000433",NA,NA,NA,NA
+"343","Caki-2","Kidney",NA,"Caki-2","CAKI2",NA,"Caki-2",NA,NA,NA,"Caki-2","Caki-2",NA,NA,"CAKI2","Caki-2",NA,NA,NA,NA,"kidney","kidney",NA,"Kidney",NA,NA,"kidney",NA,NA,NA,"kidney","kidney","Kidney",NA,"CAKI2","kidney",NA,NA,NA,NA,"CVCL_0235","Caki2_164_2019",NA,"kidney","Papillary renal cell carcinoma","Cancer cell line",NA,"ACH-000234",NA,NA,NA,NA
+"344","Calu-1","Lung","Calu-1","Calu-1","CALU1",NA,"Calu-1",NA,NA,NA,"Calu-1","Calu-1",NA,NA,"CALU1","Calu-1",NA,"CALU-1",NA,"lung","lung","lung",NA,"Lung",NA,NA,"lung",NA,NA,NA,"lung","lung",NA,"lung","CALU1","lung",NA,NA,"Non-Small Cell Lung Cancer",NA,"CVCL_0608","Calu1_178_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000511",NA,NA,NA,NA
+"345","Calu-3","Lung","Calu-3","Calu-3","CALU3",NA,"Calu-3","CALU3","Calu-3",NA,"Calu-3","Calu-3","Calu-3",NA,"CALU3","Calu-3","Calu-3",NA,NA,"lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","CALU3","lung",NA,NA,NA,NA,"CVCL_0609","Calu3_179_2019","Calu-3","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000392",NA,NA,NA,NA
+"346","Calu-6","Lung","Calu-6","Calu-6","CALU6",NA,"Calu-6","CALU6","Calu-6",NA,"Calu-6","Calu-6","Calu-6",NA,"CALU6","Calu-6","Calu-6",NA,"CALU6_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,"lung","CVCL_0236","Calu6_180_2019","Calu-6","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000264",NA,NA,NA,NA
+"347","Caov-3","Ovary/Fallopian Tube","Caov-3","Caov-3","CAOV3",NA,"Caov-3","CAOV3",NA,NA,"Caov-3","Caov-3","Caov-3",NA,"CAOV3","Caov-3","Caov-3",NA,"CAOV3_OVARY","ovary","ovary","ovary",NA,"Ovary","OVARY",NA,"ovary","urogenital_system",NA,NA,"ovary","ovary",NA,"ovary","CAOV3","ovary",NA,NA,NA,"ovary","CVCL_0201","Caov3_182_2019","Caov-3","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000713",NA,NA,NA,NA
+"348","Caov-4","Ovary/Fallopian Tube","Caov-4","Caov-4",NA,NA,NA,NA,"Caov-4",NA,"Caov-4","Caov-4","Caov-4",NA,NA,NA,"Caov-4",NA,NA,"ovary","ovary",NA,NA,NA,NA,"ovary","ovary","urogenital_system",NA,NA,"ovary",NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_0202","Caov4_183_2019","Caov-4","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000103",NA,NA,NA,NA
+"349","Capan-1","Pancreas","CAPAN-1","Capan-1","CAPAN1",NA,"Capan-1",NA,"CAPAN-1",NA,"Capan-1","Capan-1","CAPAN-1",NA,"CAPAN1","Capan-1","CAPAN-1",NA,NA,"pancreas","pancreas","pancreas",NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","CAPAN1","pancreas",NA,NA,NA,NA,"CVCL_0237","CAPAN1_184_2019","CAPAN-1","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-000354",NA,NA,NA,NA
+"350","Capan-2","Pancreas","Capan-2","Capan-2","CAPAN2",NA,"Capan-2","CAPAN2","Capan-2",NA,"Capan-2","Capan-2","Capan-2///CAPAN-2",NA,"CAPAN2","Capan-2","Capan-2",NA,"CAPAN2_PANCREAS","pancreas","pancreas","pancreas",NA,"Pancreas","PANCREAS","Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","CAPAN2","pancreas",NA,NA,NA,"pancreas","CVCL_0026","Capan2_185_2019","Capan-2","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000107",NA,NA,NA,NA
+"351","ChaGo-K-1","Lung","ChaGo-K-1","ChaGo-K-1","CHAGOK1",NA,"ChaGo-K-1","CHAGOK1","ChaGo-K-1",NA,"ChaGo-K-1","ChaGo-K-1","ChaGo-K-1",NA,"CHAGOK1","ChaGo-K-1","ChaGo-K-1",NA,NA,"lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung",NA,NA,NA,"lung","lung","Lung","lung","CHAGOK1","lung",NA,NA,NA,NA,"CVCL_1121","ChaGoK1_196_2019","ChaGo-K-1","lung","Bronchogenic carcinoma","Cancer cell line",TRUE,"ACH-000867",NA,NA,NA,NA
+"352","Ci-1","Lymphoid",NA,"CI-1",NA,NA,"CI-1",NA,NA,NA,"CI-1","CI-1",NA,NA,"CI1","CI-1",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid",NA,NA,NA,NA,NA,NA,NA,"CVCL_1861","CI1_204_2019",NA,"haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-000687",NA,NA,NA,NA
+"353","D-245MG","CNS/Brain","D-245MG",NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-245MG",NA,NA,NA,"D-245MG",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1152","D-245MG3532021_","D-245MG","central_nervous_system","Glioblastoma",NA,NA,"ACH-002223",NA,NA,NA,NA
+"354","D-247MG","CNS/Brain","D-247MG",NA,NA,NA,NA,NA,"D-247MG","D-247MG",NA,NA,"D-247MG",NA,NA,NA,"D-247MG",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1153","D247MG_271_2019","D-247MG","central_nervous_system","Gliosarcoma","Cancer cell line",NA,"ACH-002224",NA,NA,NA,NA
+"355","D-263MG","CNS/Brain","D-263MG",NA,NA,NA,NA,NA,"D-263MG","D-263MG",NA,NA,"D-263MG",NA,NA,NA,"D-263MG",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1154","D263MG_272_2019","D-263MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002225",NA,NA,NA,NA
+"356","D-336MG","CNS/Brain","D-336MG",NA,NA,NA,NA,NA,"D-336MG","D-336MG",NA,NA,"D-336MG",NA,NA,NA,"D-336MG",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1156","D336MG_274_2019","D-336MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002226",NA,NA,NA,NA
+"357","D-392MG","CNS/Brain","D-392MG",NA,NA,NA,NA,NA,"D-392MG","D-392MG",NA,NA,"D-392MG",NA,NA,NA,"D-392MG",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1158","D392MG_275_2019","D-392MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002227",NA,NA,NA,NA
+"358","D-397MG","CNS/Brain","D-397MG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-397MG3582021_",NA,"central_nervous_system","Glioblastoma",NA,NA,NA,NA,NA,NA,NA
+"359","D-423MG","CNS/Brain","D-423MG",NA,NA,NA,NA,NA,"D-423MG","D-423MG",NA,NA,"D-423MG",NA,NA,NA,"D-423MG",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1160","D423MG_276_2019","D-423MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002228",NA,NA,NA,NA
+"360","D-502MG","CNS/Brain","D-502MG",NA,NA,NA,NA,NA,"D-502MG","D-502MG",NA,NA,"D-502MG",NA,NA,NA,"D-502MG",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1162","D502MG_277_2019","D-502MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002229",NA,NA,NA,NA
+"361","D-538MG","CNS/Brain","D-538MG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-538MG3612021_",NA,"central_nervous_system","Glioblastoma",NA,NA,NA,NA,NA,NA,NA
+"362","D-542MG","CNS/Brain","D-542MG",NA,NA,NA,NA,NA,"D-542MG","D-542MG",NA,NA,"D-542MG",NA,NA,NA,"D-542MG",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1164","D542MG_278_2019","D-542MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002230",NA,NA,NA,NA
+"363","D-566MG","CNS/Brain","D-566MG",NA,NA,NA,NA,NA,"D-566MG","D-566MG",NA,NA,"D-566MG",NA,NA,NA,"D-566MG",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1166","D566MG_279_2019","D-566MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002231",NA,NA,NA,NA
+"364","D283 Med","CNS/Brain","D-283MED","D283 Med","D283MED",NA,NA,NA,"D-283MED",NA,"D283_Med","D283_Med","D-283MED",NA,"D283MED",NA,"D-283MED",NA,NA,"central_nervous_system","central_nervous_system","central_nervous_system",NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","D283MED","central_nervous_system",NA,NA,NA,NA,"CVCL_1155","D283MED_273_2019","D-283MED","central_nervous_system","Medulloblastoma","Cancer cell line",NA,"ACH-000055",NA,NA,NA,NA
+"365","D341 Med","CNS/Brain",NA,"D341 Med","D341MED",NA,NA,NA,NA,NA,"D341_Med","D341_Med",NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system","brain",NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0018","D341Med_280_2019",NA,"central_nervous_system","Medulloblastoma","Cancer cell line",NA,"ACH-000095",NA,NA,NA,NA
+"366","D384 Med","CNS/Brain","D-384MED",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1157","D384 Med3662021_",NA,"central_nervous_system","Medulloblastoma",NA,NA,"ACH-001052",NA,NA,NA,NA
+"367","D425 Med","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1275","D425 Med3672021_",NA,NA,NA,NA,NA,"ACH-001053",NA,NA,NA,NA
+"368","D458 Med","CNS/Brain","D-458MED",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1161","D458 Med3682021_",NA,"central_nervous_system","Medulloblastoma",NA,NA,"ACH-001054",NA,NA,NA,NA
+"369","D556 Med","CNS/Brain","D-556MED",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1165","D556 Med3692021_",NA,"central_nervous_system","Medulloblastoma",NA,NA,"ACH-001055",NA,NA,NA,NA
+"370","DAN-G","Pancreas",NA,"DAN-G",NA,NA,"DAN-G",NA,"DAN-G",NA,"DAN-G","DAN-G","DAN-G",NA,"DANG","DAN-G","DAN-G",NA,"DANG_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,"Pancreas","pancreas",NA,NA,NA,"pancreas","pancreas",NA,"pancreas","DANG","pancreas",NA,NA,NA,"pancreas","CVCL_0243","DANG_281_2019","DAN-G","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000243",NA,NA,NA,NA
+"371","DB","Lymphoid","DB","DB","DB",NA,"DB",NA,"DB",NA,"DB","DB","DB",NA,"DB","DB","DB","DB",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Lymphoma",NA,"CVCL_1168","DB_284_2019","DB","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000334",NA,NA,NA,NA
+"372","DBTRG-05MG","CNS/Brain","DBTRG-05MG","DBTRG-05MG","DBTRG05MG",NA,NA,NA,"DBTRG-05MG",NA,"DBTRG-05MG","DBTRG-05MG","DBTRG-05MG",NA,"DBTRG05MG",NA,"DBTRG-05MG",NA,"DBTRG05MG_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","DBTRG05MG","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1169","DBTRG05MG_285_2019","DBTRG-05MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000863",NA,NA,NA,NA
+"373","DEL","Lymphoid","DEL","DEL",NA,NA,NA,NA,"DEL",NA,"DEL","DEL","DEL",NA,"DEL","DEL","DEL",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1170","DEL_286_2019","DEL","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000233",NA,NA,NA,NA
+"374","DEOC-1","Skin",NA,NA,NA,NA,"DEOC-1",NA,NA,NA,NA,NA,NA,NA,NA,"DEOC-1",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4161","DEOC1_287_2019",NA,"skin","Melanoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"375","DERL-2","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2016","DERL-23752021_",NA,NA,NA,NA,NA,"ACH-001057",NA,NA,NA,NA
+"376","DFCI024","Lung",NA,"DFCI024",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A762","DFCI024_289_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"377","DG-75","Lymphoid","DG-75",NA,"DG75",NA,NA,NA,"DG-75","DG-75",NA,NA,"DG-75",NA,NA,NA,"DG-75",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0244","DG75_290_2019","DG-75","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-002232",NA,NA,NA,NA
+"378","DJM-1","Skin","DJM-1",NA,NA,NA,NA,NA,"DJM-1","DJM-1",NA,NA,"DJM-1",NA,NA,NA,"DJM-1",NA,NA,"skin",NA,NA,NA,NA,NA,"Skin",NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1172","DJM1_292_2019","DJM-1","skin","Skin squamous cell carcinoma","Cancer cell line",NA,"ACH-002100",NA,NA,NA,NA
+"379","DK-MG","CNS/Brain","DK-MG","DK-MG","DKMG",NA,NA,NA,"DK-MG",NA,"DK-MG","DK-MG","DK-MG",NA,"DKMG",NA,"DK-MG",NA,"DKMG_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","central_nervous_system",NA,NA,NA,"Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","DKMG","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1173","DKMG_293_2019","DK-MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000244",NA,NA,NA,NA
+"380","DL [Human lung rhabdoid tumor]","Other",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_U760","DL [Human lung rhabdoid tumor]3802021_",NA,NA,NA,NA,NA,"ACH-001059",NA,NA,NA,NA
+"381","DL-40","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2889","DL-403812021_",NA,NA,NA,NA,NA,"ACH-001060",NA,NA,NA,NA
+"382","DLD-1","Bowel",NA,"DLD-1","DLD1",NA,"DLD-1","DLD1",NA,NA,NA,NA,NA,NA,"DLD1","DLD-1",NA,"DLD-1",NA,NA,"large_intestine","colon",NA,"Colon","LARGE_INTESTINE",NA,NA,NA,NA,NA,"large_intestine","large_intestine",NA,NA,"DLD1","large_intestine",NA,NA,"Colon Cancer",NA,"CVCL_0248","DLD1_294_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-001061",NA,NA,NA,NA
+"383","DM-3","Pleura",NA,"DM-3",NA,NA,NA,NA,NA,NA,"DM-3","DM-3",NA,NA,NA,NA,NA,NA,NA,NA,"pleura",NA,NA,NA,NA,NA,"pleura",NA,NA,NA,NA,NA,NA,NA,"DM3","pleura",NA,NA,NA,NA,"CVCL_2019","DM3_295_2019",NA,"pleura","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,"ACH-000742",NA,NA,NA,NA
+"384","DMS 114","Lung","DMS-114","DMS 114","DMS114",NA,NA,NA,"DMS-114",NA,"DMS_114","DMS_114","DMS-114",NA,"DMS114","DMS 114","DMS-114","DMS 114",NA,"lung","lung","lung",NA,NA,NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung","DMS114","lung",NA,NA,"Small Cell Lung Cancer",NA,"CVCL_1174","DMS114_297_2019","DMS-114","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000530",NA,NA,NA,NA
+"385","DMS 153","Lung","DMS-153","DMS 153","DMS153",NA,NA,NA,NA,NA,"DMS_153","DMS_153",NA,NA,NA,NA,NA,NA,NA,"lung","lung","lung",NA,NA,NA,NA,"lung",NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1175","DMS153_298_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000594",NA,NA,NA,NA
+"386","DMS 273","Lung","DMS-273","DMS 273","DMS273",NA,"DMS 273","DMS273","DMS-273",NA,"DMS_273","DMS_273","DMS-273",NA,"DMS273","DMS 273","DMS-273","DMS 273","DMS273_LUNG","lung","lung","lung",NA,"Lung","LUNG","lung","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,"Small Cell Lung Cancer","lung","CVCL_1176","DMS273_299_2019","DMS-273","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000749",NA,NA,NA,NA
+"387","DMS 454","Lung",NA,"DMS 454",NA,NA,"DMS 454",NA,NA,NA,"DMS_454","DMS_454",NA,NA,"DMS454","DMS 454",NA,NA,NA,NA,"lung",NA,NA,"Lung",NA,NA,"lung",NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2438","DMS454_296_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000844",NA,NA,NA,NA
+"388","DMS 53","Lung","DMS-53","DMS 53","DMS53",NA,"DMS 53",NA,"DMS-53",NA,"DMS_53","DMS_53","DMS-53",NA,"DMS53","DMS-53","DMS-53",NA,NA,"lung","lung","lung",NA,"Lung",NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung","DMS53","lung",NA,NA,NA,NA,"CVCL_1177","DMS53_300_2019","DMS-53","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000698",NA,NA,NA,NA
+"389","DMS 79","Lung","DMS-79","DMS 79","DMS79",NA,"DMS 79",NA,"DMS-79",NA,"DMS_79","DMS_79","DMS-79",NA,"DMS79","DMS-79","DMS-79",NA,NA,"lung","lung","lung",NA,"Lung",NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1178","DMS79_301_2019","DMS-79","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000703",NA,NA,NA,NA
+"390","DND-41","Lymphoid",NA,"DND-41",NA,NA,NA,NA,"DND-41","DND-41","DND-41","DND-41","DND-41",NA,"DND41",NA,"DND-41",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2022","DND41_302_2019","DND-41","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000981",NA,NA,NA,NA
+"391","DOK","Head and Neck","DOK",NA,NA,NA,"DOK",NA,"DOK","DOK",NA,NA,"DOK",NA,NA,"DOK","DOK",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,"Tongue",NA,"Head & Neck",NA,"aero_digestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1180","DOK_304_2019","DOK","upper_aerodigestive_tract","Oral dysplasia","Cancer cell line",NA,"ACH-002234",NA,NA,NA,NA
+"392","DOV13","Ovary/Fallopian Tube",NA,"DOV13",NA,NA,"DOR 13",NA,"DOV13","DOV13",NA,NA,"DOV13",NA,"DOV13","DOR 13","DOV13",NA,NA,NA,NA,NA,NA,"Ovary",NA,"ovary",NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_6774","DOR13_305_2019","DOV13","ovary","Ovarian adenocarcinoma","Cancer cell line",NA,"ACH-001063",NA,NA,NA,NA
+"393","DSH1","Bladder/Urinary Tract","DSH1",NA,NA,NA,NA,NA,"DSH1","DSH1",NA,NA,"DSH1",NA,NA,NA,"DSH1",NA,NA,"urinary_tract",NA,NA,NA,NA,NA,"Bladder",NA,"urogenital_system",NA,NA,"urinary_tract",NA,NA,"urinary_tract",NA,NA,NA,NA,NA,NA,"CVCL_1182","DSH1_308_2019","DSH1","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-002235",NA,NA,NA,NA
+"394","DU145","Prostate","DU-145","DU 145","DU145",NA,"DU 145",NA,"DU-145","DU-145","DU_145","DU_145","DU-145","du145","DU145","DU 145","DU-145","DU-145///PR.DU.145","DU145_PROSTATE","prostate","prostate","prostate",NA,"Prostate",NA,"Prostate","prostate","urogenital_system",NA,"prostate","prostate","prostate","Prostate","prostate","DU145","prostate",NA,NA,"Prostate Cancer///Prostate","prostate","CVCL_0105","DU145_309_2019","DU-145","prostate","Prostate carcinoma","Cancer cell line",TRUE,"ACH-000979",NA,NA,NA,NA
+"395","DU4475","Breast","DU-4475","DU4475","DU4475","DU-4475///DU4475","DU4475",NA,"DU-4475",NA,"DU4475","DU4475","DU-4475","du4475","DU4475","DU4475","DU-4475",NA,NA,"breast","breast","breast","breast","Breast",NA,"Breast","breast",NA,NA,"breast","breast","breast",NA,"breast",NA,NA,"DU4475","breast",NA,NA,"CVCL_1183","DU4475_310_2019","DU-4475","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000258",NA,NA,NA,NA
+"396","DV-90","Lung","DV-90","DV-90",NA,NA,"DV-90","DV90",NA,NA,"DV-90","DV-90",NA,NA,"DV90","DV-90",NA,NA,NA,"lung","lung",NA,NA,"Lung","LUNG",NA,"lung",NA,NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1184","DV90_311_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000925",NA,NA,NA,NA
+"397","Daoy","CNS/Brain","Daoy","Daoy",NA,NA,NA,NA,"Daoy",NA,"Daoy","Daoy","Daoy",NA,"DAOY",NA,"Daoy",NA,"DAOY_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","DAOY","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1167","Daoy_282_2019","Daoy","central_nervous_system","Medulloblastoma","Cancer cell line",NA,"ACH-000211",NA,NA,NA,NA
+"398","Daudi","Lymphoid","Daudi","Daudi","DAUDI",NA,"Daudi",NA,"Daudi",NA,"Daudi","Daudi","Daudi",NA,"DAUDI","Daudi","Daudi",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0008","Daudi_283_2019","Daudi","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-000786",NA,NA,NA,NA
+"399","Detroit 562","Head and Neck","Detroit562","Detroit 562","DETROIT562",NA,"Detroit 562",NA,"Detroit562",NA,"Detroit_562","Detroit_562","Detroit562",NA,"DETROIT562","Detroit 562","Detroit562",NA,"DETROIT562_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","pharynx",NA,"Nasal Pharynx",NA,"Head & Neck","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract","Head and Neck","upper_aerodigestive_tract","DETROIT562","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_1171","Detroit562_288_2019","Detroit562","upper_aerodigestive_tract","Pharyngeal squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000207",NA,NA,NA,NA
+"400","DiFi","Bowel",NA,NA,NA,NA,NA,NA,"DIFI","DIFI",NA,NA,"DIFI///DiFi",NA,NA,NA,"DIFI",NA,NA,NA,NA,NA,NA,NA,NA,"Intestine",NA,NA,NA,NA,"large_intestine",NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_6895","DIFI_291_2019","DIFI","large_intestine","Colorectal carcinoma","Cancer cell line",TRUE,"ACH-002233",NA,NA,NA,NA
+"401","DoHH2","Lymphoid","DOHH-2","DOHH-2","DOHH2",NA,"DOHH-2",NA,"DOHH-2",NA,"DOHH-2","DOHH-2","DOHH-2",NA,"DOHH2","DOHH-2","DOHH-2",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1179","DOHH2_303_2019","DOHH-2","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000056",NA,NA,NA,NA
+"402","DoTc2 4510","Cervix","DoTc2-4510",NA,"DOTC24510",NA,NA,NA,"DoTc2-4510","DoTc2-4510",NA,NA,"DoTc2-4510",NA,NA,NA,"DoTc2-4510",NA,NA,"cervix",NA,"cervix_uteri",NA,NA,NA,"Cervix",NA,"urogenital_system",NA,NA,"cervix",NA,NA,"cervix",NA,NA,NA,NA,NA,NA,"CVCL_1181","DoTc24510_306_2019","DoTc2-4510","cervix","Cervical carcinoma","Cancer cell line",NA,"ACH-001341",NA,NA,NA,NA
+"403","EB1","Lymphoid",NA,"EB1","EB1",NA,"EB1",NA,NA,NA,"EB1","EB1",NA,NA,"EB1","EB1",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid",NA,NA,NA,NA,NA,NA,NA,"CVCL_2027","EB1_313_2019",NA,"haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-000877",NA,NA,NA,NA
+"404","EB2","Lymphoid","EB2","EB2","EB2",NA,"EB2",NA,"EB2","EB2",NA,NA,"EB2",NA,NA,"EB2","EB2",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1186","EB2_314_2019","EB2","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-001064",NA,NA,NA,NA
+"405","EB3 [Human Burkitt lymphoma]","Lymphoid","EB-3",NA,"EB3",NA,"EB-3",NA,"EB-3","EB-3",NA,NA,"EB-3",NA,NA,"EB-3","EB-3",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,"Blood",NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1185","EB3_312_2019","EB-3","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-002236",NA,NA,NA,NA
+"406","EBC-1","Lung",NA,"EBC-1",NA,NA,"EBC-1","EBC1","EBC-1",NA,"EBC-1","EBC-1","EBC-1",NA,"EBC1","EBC-1","EBC-1",NA,"EBC1_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung",NA,NA,NA,"lung","lung",NA,"lung","EBC1","lung",NA,NA,NA,"lung","CVCL_2891","EBC1_315_2019","EBC-1","lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000563",NA,NA,NA,NA
+"407","EC-GI-10","Esophagus/Stomach","EC-GI-10","EC-GI-10",NA,NA,NA,NA,"EC-GI-10",NA,"EC-GI-10","EC-GI-10","EC-GI-10",NA,"ECGI10",NA,"EC-GI-10",NA,"ECGI10_OESOPHAGUS","oesophagus","oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus",NA,"oesophagus","ECGI10","oesophagus",NA,NA,NA,"esophagus","CVCL_1187","ECGI10_316_2019","EC-GI-10","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000305",NA,NA,NA,NA
+"408","ECC10","Esophagus/Stomach","ECC10","ECC10",NA,NA,NA,NA,"ECC10",NA,"ECC10","ECC10","ECC10",NA,"ECC10",NA,"ECC10",NA,NA,"stomach","stomach",NA,NA,NA,NA,"Stomach","stomach","digestive_system",NA,NA,"stomach","stomach",NA,"stomach",NA,NA,NA,NA,NA,NA,"CVCL_1188","ECC10_317_2019","ECC10","stomach","Gastric small cell neuroendocrine carcinoma","Cancer cell line",NA,"ACH-000560",NA,NA,NA,NA
+"409","ECC12","Esophagus/Stomach","ECC12","ECC12",NA,NA,NA,NA,"ECC12",NA,"ECC12","ECC12","ECC12",NA,"ECC12",NA,"ECC12",NA,NA,"stomach","stomach",NA,NA,NA,NA,"Stomach","stomach","digestive_system",NA,NA,"stomach","stomach",NA,"stomach","ECC12","stomach",NA,NA,NA,NA,"CVCL_1189","ECC12_318_2019","ECC12","stomach","Gastric small cell neuroendocrine carcinoma","Cancer cell line",NA,"ACH-000225",NA,NA,NA,NA
+"410","ECC2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ECC24102021_",NA,NA,NA,NA,NA,"ACH-001997",NA,NA,NA,NA
+"411","ECC4","Bowel","ECC4",NA,NA,NA,NA,NA,"ECC4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gastrointestinal_tract_(site_indeterminate)",NA,NA,NA,NA,NA,"gastrointestinal_tract_(site_indeterminate)",NA,NA,NA,NA,"gastrointestinal_tract_(site_indeterminate)",NA,NA,"gastrointestinal_tract_(site_indeterminate)",NA,NA,NA,NA,NA,NA,"CVCL_1190","ECC4_319_2019",NA,"gastrointestinal_tract_(site_indeterminate)","Rectal adenocarcinoma","Cancer cell line",NA,"ACH-002024",NA,NA,NA,NA
+"412","EFE-184","Uterus","EFE-184","EFE-184",NA,NA,NA,NA,NA,NA,"EFE-184","EFE-184",NA,NA,"EFE184","EFE-184",NA,NA,NA,"endometrium","endometrium",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,"endometrium","endometrium","Uterus","endometrium","EFE184","endometrium",NA,NA,NA,NA,"CVCL_1191","EFE184_320_2019",NA,"endometrium","Endometrial carcinoma","Cancer cell line",TRUE,"ACH-000435",NA,NA,NA,NA
+"413","EFM-19","Breast","EFM-19","EFM-19","EFM19","EFM19","EFM-19",NA,"EFM-19",NA,"EFM-19","EFM-19","EFM-19","efm19",NA,"EFM-19","EFM-19",NA,NA,"breast","breast","breast","breast","Breast",NA,"Breast","breast","breast","EFM19","breast","breast",NA,"Breast","breast",NA,NA,NA,NA,NA,NA,"CVCL_0253","EFM19_321_2019","EFM-19","breast","Ductal breast carcinoma","Cancer cell line",TRUE,"ACH-000330",NA,NA,NA,NA
+"414","EFM-192A","Breast",NA,"EFM-192A",NA,"EFM192A","EFM-192A",NA,"EFM-192A",NA,"EFM-192A","EFM-192A","EFM-192A","efm192a","EFM192A","EFM-192A","EFM-192A",NA,"EFM192A_BREAST",NA,"breast",NA,"breast","Breast",NA,"Breast","breast",NA,NA,"breast","breast","breast",NA,"breast","EFM192A","breast",NA,NA,NA,"breast","CVCL_1812","EFM192A_322_2019","EFM-192A","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000117",NA,NA,NA,NA
+"415","EFM-192B","Breast",NA,NA,NA,"EFM192B","EFM-192B",NA,NA,NA,NA,NA,NA,NA,NA,"EFM-192B",NA,NA,NA,NA,NA,NA,"breast","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1813","EFM192B_323_2019",NA,"breast","Breast carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"416","EFM-192C","Breast",NA,NA,NA,"EFM192C","EFM-192C",NA,NA,NA,NA,NA,NA,NA,NA,"EFM-192C",NA,NA,NA,NA,NA,NA,"breast","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1814","EFM192C_324_2019",NA,"breast","Breast carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"417","EFO-21","Ovary/Fallopian Tube","EFO-21","EFO-21",NA,NA,NA,"EFO21","EFO-21",NA,"EFO-21","EFO-21","EFO-21",NA,"EFO21",NA,"EFO-21",NA,"EFO21_OVARY","ovary","ovary",NA,NA,NA,"OVARY","Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary",NA,"ovary","EFO21","ovary",NA,NA,NA,"ovary","CVCL_0029","EFO21_325_2019","EFO-21","ovary","Ovarian cystadenocarcinoma","Cancer cell line",TRUE,"ACH-000308",NA,NA,NA,NA
+"418","EFO-27","Ovary/Fallopian Tube","EFO-27","EFO-27",NA,NA,"EFO-27","EFO27","EFO-27",NA,"EFO-27","EFO-27","EFO-27",NA,"EFO27","EFO-27","EFO-27",NA,"EFO27_OVARY","ovary","ovary",NA,NA,"Ovary","OVARY","Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary","Ovary","ovary","EFO27","ovary",NA,NA,NA,"ovary","CVCL_1192","EFO27_326_2019","EFO-27","ovary","Ovarian mucinous adenocarcinoma","Cancer cell line",TRUE,"ACH-000936",NA,NA,NA,NA
+"419","EGI-1","Biliary Tract","EGI-1",NA,NA,NA,NA,NA,"EGI-1","EGI-1",NA,NA,"EGI-1",NA,NA,NA,"EGI-1",NA,NA,"biliary_tract",NA,NA,NA,NA,NA,"Liver",NA,"digestive_system",NA,NA,"biliary_tract",NA,NA,"biliary_tract",NA,NA,NA,NA,NA,NA,"CVCL_1193","EGI1_327_2019","EGI-1","biliary_tract","Cholangiocarcinoma","Cancer cell line",NA,"ACH-001494",NA,NA,NA,NA
+"420","EHEB","Lymphoid","EHEB","EHEB",NA,NA,NA,NA,"EHEB",NA,"EHEB","EHEB","EHEB",NA,"EHEB",NA,"EHEB",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1194","EHEB_328_2019","EHEB","haematopoietic_and_lymphoid_tissue",NA,"Transformed cell line",NA,"ACH-000038",NA,NA,NA,NA
+"421","EJM","Lymphoid",NA,"EJM",NA,NA,"EJM","EJM","EJM",NA,"EJM","EJM","EJM",NA,"EJM","EJM","EJM",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2030","EJM_329_2019","EJM","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000821",NA,NA,NA,NA
+"422","EKVX","Lung","EKVX","EKVX","EKVX",NA,"EKVX",NA,"EKVX",NA,"EKVX","EKVX","EKVX",NA,"EKVX","EKVX","EKVX","EKVX///LC.EKVX",NA,"lung",NA,"lung",NA,"Lung",NA,"Lung","lung","lung",NA,NA,"lung",NA,"Lung","lung","EKVX",NA,NA,NA,"Non-Small Cell Lung Cancer///Non-Small Cell Lung",NA,"CVCL_1195","EKVX_330_2019","EKVX","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000706",NA,NA,NA,NA
+"423","EM-2","Myeloid","EM-2","EM-2","EM2",NA,NA,NA,"EM-2","EM-2","EM-2","EM-2","EM-2",NA,"EM2",NA,"EM-2",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1196","EM2_331_2019","EM-2","haematopoietic_and_lymphoid_tissue","Childhood chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000295",NA,NA,NA,NA
+"424","EMC-BAC-1","Lung",NA,NA,NA,NA,NA,NA,"EMC-BAC-1","EMC-BAC-1",NA,NA,"EMC-BAC-1",NA,NA,NA,"EMC-BAC-1",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,NA,NA,NA,"esophagus",NA,NA,NA,NA,NA,NA,"CVCL_X486","EMCBAC1_332_2019","EMC-BAC-1","oesophagus","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-002101",NA,NA,NA,NA
+"425","EMC-BAC-2","Lung",NA,NA,NA,NA,NA,NA,"EMC-BAC-2","EMC-BAC-2",NA,NA,"EMC-BAC-2",NA,NA,NA,"EMC-BAC-2",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,NA,NA,NA,"esophagus",NA,NA,NA,NA,NA,NA,"CVCL_X487","EMCBAC2_333_2019","EMC-BAC-2","oesophagus","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-002102",NA,NA,NA,NA
+"426","EMTOKA","Uterus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E115","EMTOKA4262021_",NA,NA,NA,NA,NA,"ACH-001495",NA,NA,NA,NA
+"427","EN","Uterus",NA,"EN",NA,NA,NA,NA,"EN",NA,"EN","EN","EN",NA,"EN",NA,"EN",NA,"EN_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,NA,"Uterus","endometrium",NA,NA,NA,"endometrium","endometrium",NA,"endometrium",NA,NA,NA,NA,NA,"uterus","CVCL_2034","EN_334_2019","EN","endometrium","Endometrial carcinoma","Cancer cell line",NA,"ACH-000978",NA,NA,NA,NA
+"428","EPLC-272H","Lung","EPLC-272H","EPLC-272H",NA,NA,"EPLC-272H","EPLC272H","EPLC-272H",NA,"EPLC-272H","EPLC-272H","EPLC-272H",NA,"EPLC272H","EPLC-272H","EPLC-272H",NA,NA,"lung","lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","EPLC272H","lung",NA,NA,NA,NA,"CVCL_1197","EPLC272H_336_2019","EPLC-272H","lung","Lung mucoepidermoid carcinoma","Cancer cell line",NA,"ACH-000585",NA,NA,NA,NA
+"429","ES-2","Ovary/Fallopian Tube",NA,"ES-2","ES2",NA,"ES-2",NA,"ES-2",NA,"ES-2","ES-2","ES-2",NA,"ES2","ES-2","ES-2",NA,"ES2_OVARY",NA,"ovary","ovary",NA,"Ovary",NA,"Ovary","ovary",NA,NA,NA,"ovary","ovary","Ovary","ovary","ES2","ovary","ES2","ovary",NA,"ovary","CVCL_3509","ES2_337_2019","ES-2","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",NA,"ACH-000906",NA,NA,NA,NA
+"430","ES-2 CNCR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ES-2 CNCR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ovarian Cancer",NA,NA,"ES-2 CNCR4302021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"431","ES1","Bone","ES1",NA,NA,NA,NA,NA,"ES1","ES1",NA,NA,"ES1",NA,NA,NA,"ES1",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1198","ES1_338_2019","ES1","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002103",NA,NA,NA,NA
+"432","ES3","Bone","ES3",NA,NA,NA,NA,NA,"ES3","ES3",NA,NA,"ES3",NA,NA,NA,"ES3",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1199","ES3_339_2019","ES3","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002104",NA,NA,NA,NA
+"433","ES4","Bone","ES4",NA,NA,NA,NA,NA,"ES4","ES4",NA,NA,"ES4",NA,NA,NA,"ES4",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1200","ES4_340_2019","ES4","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002105",NA,NA,NA,NA
+"434","ES5","Bone","ES5",NA,NA,NA,NA,NA,"ES5","ES5",NA,NA,"ES5",NA,NA,NA,"ES5",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1201","ES5_341_2019","ES5","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002106",NA,NA,NA,NA
+"435","ES6","Bone","ES6",NA,NA,NA,NA,NA,"ES6","ES6",NA,NA,"ES6",NA,NA,NA,"ES6",NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1202","ES6_342_2019","ES6","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002107",NA,NA,NA,NA
+"436","ES7","Bone","ES7",NA,NA,NA,NA,NA,"ES7","ES7",NA,NA,"ES7",NA,NA,NA,"ES7",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1203","ES7_343_2019","ES7","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002108",NA,NA,NA,NA
+"437","ES8","Bone","ES8",NA,NA,NA,NA,NA,"ES8","ES8",NA,NA,"ES8",NA,NA,NA,"ES8",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1204","ES8_344_2019","ES8","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002109",NA,NA,NA,NA
+"438","ESO-26","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"ESO26","ESO26",NA,NA,"ESO26",NA,NA,NA,"ESO26",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,"oesophagus",NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,"CVCL_2035","ESO26_345_2019","ESO26","oesophagus","Gastroesophageal junction adenocarcinoma","Cancer cell line",NA,"ACH-001496",NA,NA,NA,NA
+"439","ESO-51","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"ESO51","ESO51",NA,NA,"ESO51",NA,NA,NA,"ESO51",NA,NA,NA,NA,NA,NA,NA,NA,"Esophag",NA,NA,NA,NA,"oesophagus",NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,"CVCL_2036","ESO51_346_2019","ESO51","oesophagus","Esophageal adenocarcinoma","Cancer cell line",NA,"ACH-001497",NA,NA,NA,NA
+"440","ESS-1","Uterus","ESS-1","ESS-1",NA,NA,NA,NA,"ESS-1",NA,"ESS-1","ESS-1","ESS-1",NA,"ESS1",NA,"ESS-1",NA,"ESS1_ENDOMETRIUM","endometrium","endometrium",NA,NA,NA,NA,"endometrium","endometrium","urogenital_system",NA,NA,"endometrium","endometrium",NA,"endometrium","ESS1","endometrium",NA,NA,NA,"uterus","CVCL_1205","ESS1_347_2019","ESS-1","endometrium","Endometrioid stromal sarcoma","Cancer cell line",NA,"ACH-000913",NA,NA,NA,NA
+"441","ETK-1","Biliary Tract","ETK-1",NA,NA,NA,NA,NA,"ETK-1","ETK-1",NA,NA,"ETK-1",NA,NA,NA,"ETK-1",NA,NA,"biliary_tract",NA,NA,NA,NA,NA,"Biliary",NA,NA,NA,NA,"biliary_tract",NA,NA,"biliary_tract",NA,NA,NA,NA,NA,NA,"CVCL_1206","ETK1_348_2019","ETK-1","biliary_tract","Intrahepatic cholangiocarcinoma","Cancer cell line",NA,"ACH-002237",NA,NA,NA,NA
+"442","EW 7476","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_EQ72","EW7476_360_2019",NA,"bone","Osteosarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"443","EW-1","Bone","EW-1",NA,NA,NA,NA,NA,"EW-1","EW-1",NA,NA,"EW-1",NA,NA,NA,"EW-1",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1208","EW1_350_2019","EW-1","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-002110",NA,NA,NA,NA
+"444","EW-11","Bone","EW-11",NA,NA,NA,NA,NA,"EW-11","EW-11",NA,NA,"EW-11",NA,NA,NA,"EW-11",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1209","EW11_351_2019","EW-11","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-002111",NA,NA,NA,NA
+"445","EW-12","Bone","EW-12",NA,NA,NA,NA,NA,"EW-12","EW-12",NA,NA,"EW-12",NA,NA,NA,"EW-12",NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1210","EW12_352_2019","EW-12","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002112",NA,NA,NA,NA
+"446","EW-13","Bone","EW-13",NA,NA,NA,NA,NA,"EW-13","EW-13",NA,NA,"EW-13",NA,NA,NA,"EW-13",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1211","EW13_353_2019","EW-13","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002113",NA,NA,NA,NA
+"447","EW-16","Bone","EW-16",NA,NA,NA,NA,NA,"EW-16","EW-16",NA,NA,"EW-16",NA,NA,NA,"EW-16",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1212","EW16_354_2019","EW-16","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002114",NA,NA,NA,NA
+"448","EW-18","Bone","EW-18",NA,NA,NA,NA,NA,"EW-18","EW-18",NA,NA,"EW-18",NA,NA,NA,"EW-18",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1213","EW18_355_2019","EW-18","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002115",NA,NA,NA,NA
+"449","EW-22","Bone","EW-22",NA,NA,NA,NA,NA,"EW-22","EW-22",NA,NA,"EW-22",NA,NA,NA,"EW-22",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1214","EW22_356_2019","EW-22","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002116",NA,NA,NA,NA
+"450","EW-24","Bone","EW-24",NA,NA,NA,NA,NA,"EW-24","EW-24",NA,NA,"EW-24",NA,NA,NA,"EW-24",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1215","EW24_357_2019","EW-24","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-002117",NA,NA,NA,NA
+"451","EW-3","Bone","EW-3",NA,NA,NA,NA,NA,"EW-3","EW-3",NA,NA,"EW-3",NA,NA,NA,"EW-3",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1216","EW3_358_2019","EW-3","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-002118",NA,NA,NA,NA
+"452","EW-7","Bone","EW-7",NA,NA,NA,NA,NA,"EW-7","EW-7",NA,NA,"EW-7",NA,NA,NA,"EW-7",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1217","EW7_359_2019","EW-7","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-002119",NA,NA,NA,NA
+"453","EW-8","Bone",NA,"EW8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V618","EW8_361_2019",NA,"bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000499",NA,NA,NA,NA
+"454","EWS-502","Bone",NA,"EWS502",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EWS502_BONE",NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone","CVCL_S740","EWS502_362_2019",NA,"bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000279",NA,NA,NA,NA
+"455","EWS-834","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_AW95","EWS-8344552021_",NA,NA,NA,NA,NA,"ACH-001066",NA,NA,NA,NA
+"456","EoL-1","Myeloid","EoL-1-cell","EOL-1",NA,NA,NA,NA,"EoL-1-cell","EoL-1-cell","EOL-1","EOL-1","EoL-1-cell",NA,"EOL1",NA,"EoL-1-cell",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0258","EoL1cell_335_2019","EoL-1-cell","haematopoietic_and_lymphoid_tissue","Chronic eosinophilic leukemia, not otherwise specified","Cancer cell line",NA,"ACH-000198",NA,NA,NA,NA
+"457","Evsa-T","Breast","EVSA-T","EVSA-T",NA,"EVSAT","EVSA-T",NA,"EVSA-T","EVSA-T",NA,NA,"EVSA-T","evsat",NA,"EVSA-T","EVSA-T",NA,NA,"breast","breast",NA,"breast","Breast",NA,"Breast",NA,NA,"16-evsat///EVSA-T","breast","breast",NA,"Breast","breast",NA,NA,NA,NA,NA,NA,"CVCL_1207","EVSAT_349_2019","EVSA-T","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001065",NA,NA,NA,NA
+"458","F-36P","Myeloid",NA,"F-36P",NA,NA,NA,NA,NA,NA,"F-36P","F-36P",NA,NA,"F36P",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2037","F36P_363_2019",NA,"haematopoietic_and_lymphoid_tissue","Myelodysplastic syndrome","Cancer cell line",NA,"ACH-000487",NA,NA,NA,NA
+"459","F5","CNS/Brain",NA,"F5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V616","F5_364_2019",NA,"central_nervous_system","Meningioma","Cancer cell line",NA,"ACH-001067",NA,NA,NA,NA
+"460","FE-PD","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_H614","FE-PD4602021_",NA,NA,NA,NA,NA,"ACH-001068",NA,NA,NA,NA
+"461","FLO-1","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"FLO-1","FLO-1",NA,NA,"FLO-1",NA,NA,NA,"FLO-1",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,"oesophagus",NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,"CVCL_2045","FLO1_367_2019","FLO-1","oesophagus","Esophageal adenocarcinoma","Cancer cell line",NA,"ACH-001500",NA,NA,NA,NA
+"462","FTC-133","Thyroid","FTC-133","FTC-133",NA,NA,NA,NA,"FTC-133",NA,"FTC-133","FTC-133","FTC-133",NA,"FTC133","FTC-133","FTC-133",NA,"FTC133_THYROID","thyroid","thyroid",NA,NA,NA,NA,"Thyroid","thyroid","thyroid",NA,NA,"thyroid","thyroid","Thyroid","thyroid","FTC133","thyroid",NA,NA,NA,"thyroid","CVCL_1219","FTC133_368_2019","FTC-133","thyroid","Thyroid gland follicular carcinoma","Cancer cell line",NA,"ACH-000903",NA,NA,NA,NA
+"463","FTC-238","Thyroid",NA,"FTC-238",NA,NA,NA,NA,NA,NA,"FTC-238","FTC-238",NA,NA,"FTC238","FTC-238",NA,NA,"FTC238_THYROID",NA,"thyroid",NA,NA,NA,NA,NA,"thyroid",NA,NA,NA,NA,"thyroid",NA,NA,"FTC238","thyroid",NA,NA,NA,"thyroid","CVCL_2447","FTC238_369_2019",NA,"thyroid","Thyroid gland follicular carcinoma","Cancer cell line",TRUE,"ACH-000897",NA,NA,NA,NA
+"464","FU-OV-1","Ovary/Fallopian Tube",NA,"FU-OV-1",NA,NA,NA,NA,"FU-OV-1",NA,"FU-OV-1","FU-OV-1","FU-OV-1",NA,"FUOV1",NA,"FU-OV-1",NA,NA,NA,"ovary",NA,NA,NA,NA,"Ovary","ovary",NA,NA,NA,"ovary","ovary",NA,"ovary","FUOV1","ovary",NA,NA,NA,NA,"CVCL_2047","FUOV1_370_2019","FU-OV-1","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000574",NA,NA,NA,NA
+"465","FaDu","Head and Neck","FADU","FaDu","FADU",NA,"FaDu",NA,"FADU",NA,"FaDu","FaDu","FADU",NA,"FADU","FaDu","FADU",NA,"FADU_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","pharynx",NA,"Nasal Pharynx",NA,"Head & Neck","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract","Head and Neck","upper_aerodigestive_tract","FADU","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_1218","FADU_365_2019","FADU","upper_aerodigestive_tract","Hypopharyngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000846",NA,NA,NA,NA
+"466","Farage","Lymphoid",NA,NA,NA,NA,"Farage",NA,"Farage","Farage",NA,NA,"Farage",NA,NA,"Farage","Farage",NA,NA,NA,NA,NA,NA,"Blood",NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3302","Farage_366_2019","Farage","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-001498",NA,NA,NA,NA
+"467","Fu97","Esophagus/Stomach",NA,"FU97",NA,NA,"FU97","FU97","FU97",NA,"FU97","FU97","FU97",NA,"FU97","FU97","FU97",NA,NA,NA,"stomach",NA,NA,"Stomach","STOMACH","Stomach","stomach",NA,NA,NA,"stomach","stomach","Stomach","stomach",NA,NA,NA,NA,NA,NA,"CVCL_2908","FU97_371_2019","FU97","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000633",NA,NA,NA,NA
+"468","Fuji","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_D880","Fuji4682021_",NA,NA,NA,NA,NA,"ACH-001272",NA,NA,NA,NA
+"469","G-292 clone A141B1","Bone",NA,"G-292, clone A141B1///G-292\, clone A141B1",NA,NA,NA,NA,"G-292-Clone-A141B1",NA,"G-292,_clone_A141B1","G-292,_clone_A141B1","G-292_Clone_A141B1",NA,"G292CLONEA141B1",NA,"G-292 Clone A141B1",NA,"G292CLONEA141B1_BONE",NA,"bone",NA,NA,NA,NA,"Bone","bone",NA,NA,NA,NA,"bone",NA,"bone","G292CLONEA141B1",NA,NA,NA,NA,"bone","CVCL_2909","G292,cloneA141B1_372_2019","G-292_Clone_A141B1","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000082",NA,NA,NA,NA
+"470","G-361","Skin","G-361","G-361",NA,NA,"G-361","G361","G-361",NA,"G-361","G-361","G-361",NA,"G361","G-361","G-361",NA,"G361_SKIN","skin","skin",NA,NA,"Skin","SKIN","Skin","skin","skin",NA,NA,"skin","skin","Skin","skin",NA,NA,NA,NA,NA,"skin","CVCL_1220","G361_373_2019","G-361","skin","Melanoma","Cancer cell line",NA,"ACH-000572","G361","Skin",NA,NA
+"471","G-401","Kidney","G-401","G-401","G401",NA,NA,"G401","G-401",NA,"G-401","G-401","G-401",NA,"G401","G-401","G-401",NA,"G401_SOFT_TISSUE","soft_tissue","soft_tissue","kidney",NA,NA,"SOFT_TISSUE","Kidney","soft_tissue","kidney",NA,NA,"soft_tissue","soft_tissue","Kidney","soft_tissue","G401","soft_tissue",NA,NA,NA,"rhabdoid","CVCL_0270","G401_374_2019","G-401","soft_tissue","Rhabdoid tumor of the kidney","Cancer cell line",NA,"ACH-000096",NA,NA,NA,NA
+"472","G-402","Soft Tissue","G-402","G-402","G402",NA,"G-402",NA,"G-402",NA,"G-402","G-402","G-402",NA,"G402","G-402","G-402",NA,"G402_SOFT_TISSUE","soft_tissue","soft_tissue","kidney",NA,"Kidney",NA,"Kidney","soft_tissue","soft_tissue",NA,NA,"soft_tissue","soft_tissue","Kidney","soft_tissue","G402","soft_tissue",NA,NA,NA,"rhabdoid","CVCL_1221","G402_375_2019","G-402","soft_tissue","Epithelioid cell type gastrointestinal stromal tumor","Cancer cell line",NA,"ACH-000375",NA,NA,NA,NA
+"473","G-415","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8198","G-4154732021_",NA,NA,NA,NA,NA,"ACH-001850",NA,NA,NA,NA
+"474","G-mel","Skin",NA,NA,NA,NA,NA,NA,"G-MEL","G-MEL",NA,NA,"G-MEL",NA,NA,NA,"G-MEL",NA,NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_W798","GMEL_376_2019","G-MEL","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-002121",NA,NA,NA,NA
+"475","GA-10","Lymphoid",NA,"GA-10","GA10",NA,"GA-10",NA,"GA-10",NA,"GA-10","GA-10","GA-10",NA,"GA10","GA-10","GA-10",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1222","GA10_395_2019","GA-10","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-000162",NA,NA,NA,NA
+"476","GA-10 clone 20","Lymphoid","GA-10-Clone-20",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GA-10 clone 204762021_",NA,"haematopoietic_and_lymphoid_tissue","Burkitt lymphoma",NA,NA,NA,NA,NA,NA,NA
+"477","GA-10 clone 4","Lymphoid","GA-10-Clone-4",NA,NA,NA,NA,NA,"GA-10-Clone-4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1224","GA10Clone4_396_2019",NA,"haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"478","GAK","Vulva/Vagina","GAK",NA,NA,NA,NA,NA,"GAK","GAK",NA,NA,"GAK",NA,NA,NA,"GAK",NA,NA,"skin",NA,NA,NA,NA,NA,"Skin",NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1225","GAK_397_2019","GAK","skin","Vulvar melanoma","Cancer cell line",TRUE,"ACH-002120",NA,NA,NA,NA
+"479","GB-1","CNS/Brain","GB-1","GB-1",NA,NA,NA,NA,"GB-1",NA,"GB-1","GB-1","GB-1",NA,"GB1","GB-1","GB-1",NA,"GB1_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","GB1","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1227","GB1_399_2019","GB-1","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000738",NA,NA,NA,NA
+"480","GB-2","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_S826","GB-24802021_",NA,NA,NA,NA,NA,"ACH-001961",NA,NA,NA,NA
+"481","GBM001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GBM0014812021_",NA,NA,NA,NA,NA,"ACH-002349",NA,NA,NA,NA
+"482","GCIY","Esophagus/Stomach","GCIY","GCIY",NA,NA,NA,NA,"GCIY","GCIY","GCIY","GCIY","GCIY",NA,NA,NA,"GCIY",NA,"GCIY_STOMACH","stomach","stomach",NA,NA,NA,NA,"Stomach","stomach","digestive_system",NA,NA,"stomach",NA,NA,"stomach",NA,NA,NA,NA,NA,"gastric","CVCL_1228","GCIY_400_2019","GCIY","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000047",NA,NA,NA,NA
+"483","GCT","Soft Tissue","GCT","GCT","GCT",NA,NA,NA,"GCT",NA,"GCT","GCT","GCT",NA,"GCT",NA,"GCT",NA,"GCT_SOFT_TISSUE","soft_tissue","soft_tissue","lung",NA,NA,NA,"Miscellaneous","soft_tissue","soft_tissue",NA,NA,"soft_tissue","soft_tissue",NA,"soft_tissue","GCT","soft_tissue",NA,NA,NA,"soft_tissue","CVCL_1229","GCT_401_2019","GCT","soft_tissue","Undifferentiated pleomorphic sarcoma","Cancer cell line",TRUE,"ACH-000835",NA,NA,NA,NA
+"484","GDM-1","Myeloid","GDM-1","GDM-1","GDM1",NA,NA,"GDM1","GDM-1",NA,"GDM-1","GDM-1","GDM-1",NA,"GDM1",NA,"GDM-1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,"HEMATOPOIETIC_AND_LYMPHOID_TISSUE","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"GDM1","blood",NA,NA,"CVCL_1230","GDM1_402_2019","GDM-1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000081",NA,NA,NA,NA
+"485","GEO","Bowel",NA,NA,NA,NA,NA,NA,NA,"GEO",NA,NA,"Geo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_0271","Geo_403_2019",NA,"large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-002394",NA,NA,NA,NA
+"486","GI-1","CNS/Brain","GI-1","GI-1",NA,NA,NA,NA,"GI-1",NA,"GI-1","GI-1","GI-1",NA,"GI1","GI-1","GI-1",NA,"GI1_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","GI1","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1231","GI1_404_2019","GI-1","central_nervous_system","Gliosarcoma","Cancer cell line",NA,"ACH-000756",NA,NA,NA,NA
+"487","GI-ME-N","Peripheral Nervous System","GI-ME-N",NA,NA,NA,NA,NA,"GI-ME-N","GI-ME-N",NA,NA,"GI-ME-N",NA,NA,NA,"GI-ME-N",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1232","GIMEN_405_2019","GI-ME-N","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-001344",NA,NA,NA,NA
+"488","GIST-T1","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4976","GIST-T14882021_",NA,NA,NA,NA,NA,"ACH-002332",NA,NA,NA,NA
+"489","GLC-2","Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NYH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Non-Small Cell Lung Cancer",NA,"CVCL_8207","GLC-24892021_",NA,NA,"Small cell lung cancer","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"490","GLC-82","Cervix",NA,"GLC-82",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3371","GLC82_406_2019",NA,"lung","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,"ACH-001071",NA,NA,NA,NA
+"491","GMS-10","CNS/Brain","GMS-10","GMS-10",NA,NA,NA,NA,"GMS-10",NA,"GMS-10","GMS-10","GMS-10",NA,"GMS10",NA,"GMS-10",NA,"GMS10_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","GMS10","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1233","GMS10_407_2019","GMS-10","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000102",NA,NA,NA,NA
+"492","GOS-3","CNS/Brain",NA,"GOS-3",NA,NA,NA,NA,NA,NA,"GOS-3","GOS-3",NA,NA,"GOS3","GOS-3",NA,NA,"GOS3_CENTRAL_NERVOUS_SYSTEM",NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,"GOS3","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_2050","GOS3_408_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000027",NA,NA,NA,NA
+"493","GOTO","Peripheral Nervous System","GOTO",NA,NA,NA,NA,NA,"GOTO","GOTO",NA,NA,"GOTO",NA,NA,NA,"GOTO",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"Kidney",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1234","GOTO_409_2019","GOTO","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-001716",NA,NA,NA,NA
+"494","GOTO.P3","Peripheral Nervous System","GOTO-P3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GOTO.P34942021_",NA,"autonomic_ganglia","Neuroblastoma",NA,NA,NA,NA,NA,NA,NA
+"495","GP2d","Bowel","Gp2D","GP2d",NA,NA,"GP2d","GP2D",NA,NA,"GP2d","GP2d",NA,NA,"GP2D","GP2d",NA,NA,"GP2D_LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,"Colon","LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,NA,"GP2D","large_intestine",NA,NA,NA,"colorectal","CVCL_2450","Gp2D_410_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000982",NA,NA,NA,NA
+"496","GP5d","Bowel","GP5d",NA,NA,NA,"GP5d",NA,"GP5d","GP5d",NA,NA,"GP5d",NA,NA,"GP5d","GP5d",NA,NA,"large_intestine",NA,NA,NA,"Colon",NA,"Intestine",NA,NA,NA,NA,"large_intestine",NA,"Colon","large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_1235","GP5d_411_2019","GP5d","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-001345",NA,NA,NA,NA
+"497","GR-M","Pancreas",NA,"GR-M",NA,NA,"GR-M",NA,NA,NA,NA,NA,NA,NA,NA,"GR-M",NA,NA,NA,NA,"skin",NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2451","GRM_412_2019",NA,"skin","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-001072",NA,NA,NA,NA
+"498","GR-ST","Lymphoid","GR-ST",NA,NA,NA,NA,NA,"GR-ST","GR-ST",NA,NA,"GR-ST",NA,NA,NA,"GR-ST",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1236","GRST_413_2019","GR-ST","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002238",NA,NA,NA,NA
+"499","GSS","Esophagus/Stomach",NA,"GSS",NA,NA,NA,NA,NA,NA,"GSS","GSS",NA,NA,"GSS",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8876","GSS_415_2019",NA,"stomach","Gastric carcinoma","Cancer cell line",TRUE,"ACH-000746",NA,NA,NA,NA
+"500","GSU","Esophagus/Stomach",NA,"GSU",NA,NA,NA,NA,NA,NA,"GSU","GSU",NA,NA,"GSU",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8877","GSU_416_2019",NA,"stomach","Gastric carcinoma","Cancer cell line",TRUE,"ACH-000485",NA,NA,NA,NA
+"501","GT3TKB","Lung","GT3TKB",NA,NA,NA,NA,NA,"GT3TKB","GT3TKB",NA,NA,"GT3TKB",NA,NA,NA,"GT3TKB",NA,NA,"stomach",NA,NA,NA,NA,NA,"Stomach",NA,"digestive_system",NA,NA,"stomach",NA,NA,"stomach",NA,NA,NA,NA,NA,NA,"CVCL_1237","GT3TKB_417_2019","GT3TKB","stomach","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-002122",NA,NA,NA,NA
+"502","GTL-16","Esophagus/Stomach",NA,NA,NA,NA,"GTL-16",NA,NA,NA,NA,NA,NA,NA,NA,"GTL-16",NA,NA,NA,NA,NA,NA,NA,"Stomach",NA,NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7668","GTL16_418_2019",NA,"stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"503","GaMG","CNS/Brain","GAMG","GAMG",NA,NA,NA,"GAMG","GAMG",NA,"GAMG","GAMG","GAMG",NA,"GAMG",NA,"GAMG",NA,"GAMG_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,"CENTRAL_NERVOUS_SYSTEM","Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","GAMG","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1226","GAMG_398_2019","GAMG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000098",NA,NA,NA,NA
+"504","Granta-519","Lymphoid",NA,"GRANTA-519",NA,NA,"GRANTA-519",NA,"GRANTA-519",NA,"GRANTA-519","GRANTA-519","GRANTA-519",NA,"GRANTA519","GRANTA-519","GRANTA-519",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1818","GRANTA519_414_2019","GRANTA-519","haematopoietic_and_lymphoid_tissue","Mantle cell lymphoma","Cancer cell line",NA,"ACH-000073",NA,NA,NA,NA
+"505","H-EMC-SS","Bone","H-EMC-SS",NA,NA,NA,NA,NA,"H-EMC-SS","H-EMC-SS",NA,NA,"H-EMC-SS",NA,NA,NA,"H-EMC-SS",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1238","HEMCSS_419_2019","H-EMC-SS","bone","Chondrosarcoma","Cancer cell line",NA,"ACH-001519",NA,NA,NA,NA
+"506","H-STS","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HSTS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_L296","HSTS_623_2019",NA,NA,"Midgut carcinoid tumor","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"507","H103","Head and Neck",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2457","H1035072021_",NA,NA,NA,NA,NA,"ACH-001346",NA,NA,NA,NA
+"508","H1299p53RE29",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H1299p53RE29",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"H1299p53RE295082021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"509","H157","Head and Neck",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2458","H1575092021_",NA,NA,NA,NA,NA,"ACH-001347",NA,NA,NA,NA
+"510","H357","Head and Neck",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2462","H3575102021_",NA,NA,NA,NA,NA,"ACH-001509",NA,NA,NA,NA
+"511","H376","Head and Neck",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2463","H3765112021_",NA,NA,NA,NA,NA,"ACH-001510",NA,NA,NA,NA
+"512","H4","CNS/Brain","H4","H4","H4",NA,NA,NA,"H4",NA,"H4","H4","H4",NA,NA,NA,"H4",NA,"H4_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","central_nervous_system",NA,NA,NA,"Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system","H4","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1239","H4_437_2019","H4","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000389",NA,NA,NA,NA
+"513","H413","Head and Neck",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2465","H4135132021_",NA,NA,NA,NA,NA,"ACH-001511",NA,NA,NA,NA
+"514","H9","Lymphoid","H9",NA,NA,NA,NA,NA,"H9","H9",NA,NA,"H9",NA,NA,NA,"H9",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1240","H9_439_2019","H9","haematopoietic_and_lymphoid_tissue","Mycosis fungoides and Sezary syndrome","Cancer cell line",NA,"ACH-002240",NA,NA,NA,NA
+"515","HA1E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU89","HA1E5152021_",NA,NA,NA,NA,NA,"ACH-001310",NA,NA,NA,NA
+"516","HA7-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E909","HA7-EBV5162021_",NA,NA,NA,NA,NA,"ACH-002350",NA,NA,NA,NA
+"517","HA7-RCC","Kidney","HA7-RCC",NA,NA,NA,NA,NA,"HA7-RCC","HA7-RCC",NA,NA,"HA7-RCC",NA,NA,NA,"HA7-RCC",NA,NA,"kidney",NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_1241","HA7RCC_440_2019","HA7-RCC","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002139",NA,NA,NA,NA
+"518","HAL-01","Lymphoid","HAL-01",NA,NA,NA,NA,NA,"HAL-01","HAL-01///HAL",NA,NA,"HAL-01",NA,NA,NA,"HAL-01",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1242","HAL01_441_2019","HAL-01","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002241",NA,NA,NA,NA
+"519","HAP1","Myeloid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_Y019","HAP15192021_",NA,NA,NA,NA,NA,"ACH-002475",NA,NA,NA,NA
+"520","HARA [Human squamous cell lung carcinoma]","Lung",NA,"HARA",NA,NA,NA,"HARA","HARA",NA,"HARA","HARA","HARA",NA,"HARA",NA,"HARA",NA,"HARA_LUNG",NA,"lung",NA,NA,NA,"LUNG","Lung","breast",NA,NA,NA,"breast","lung",NA,"breast","HARA","lung",NA,NA,NA,"lung","CVCL_2914","HARA_442_2019","HARA","breast","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000843",NA,NA,NA,NA
+"521","HB11;19","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8227","HB11;195212021_",NA,NA,NA,NA,NA,"ACH-001736",NA,NA,NA,NA
+"522","HBL-100","Other",NA,NA,NA,"HBL100","HBL-100",NA,NA,NA,NA,NA,NA,"hbl100",NA,"HBL-100",NA,NA,NA,NA,NA,NA,"breast","Breast",NA,NA,NA,NA,"6-hbl100///HBL100///HBL-100","breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4362","HBL100_443_2019",NA,"breast",NA,"Transformed cell line",NA,"ACH-002321",NA,NA,NA,NA
+"523","HC-1","Lymphoid","HC-1",NA,NA,NA,NA,NA,"HC-1","HC-1",NA,NA,"HC-1",NA,NA,NA,"HC-1",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1243","HC1_444_2019","HC-1","haematopoietic_and_lymphoid_tissue","Hairy cell leukemia","Cancer cell line",NA,"ACH-002242",NA,NA,NA,NA
+"524","HCA1","Cervix",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2916","HCA15242021_",NA,NA,NA,NA,NA,"ACH-001513",NA,NA,NA,NA
+"525","HCA7","Bowel",NA,NA,NA,NA,"HCA-7",NA,NA,NA,NA,NA,NA,NA,NA,"HCA-7",NA,NA,NA,NA,NA,NA,NA,"Colon",NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0289","HCA7_445_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"526","HCC-56","Bowel",NA,"HCC-56",NA,NA,NA,NA,"HCC-56",NA,"HCC-56","HCC-56","HCC-56",NA,"HCC56",NA,"HCC-56",NA,"HCC56_LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,NA,"Intestine","large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,"large_intestine","HCC56","large_intestine",NA,NA,NA,"colorectal","CVCL_2917","HCC56_460_2019","HCC-56","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000467",NA,NA,NA,NA
+"527","HCC1007","Breast",NA,NA,NA,"HCC1007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCC10075272021_",NA,"breast","Ductal breast carcinoma",NA,NA,NA,NA,NA,NA,NA
+"528","HCC1008","Breast",NA,NA,NA,"HCC1008",NA,NA,NA,NA,NA,NA,NA,"hcc1008",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1244","HCC1008_464_2019",NA,"breast","Ductal breast carcinoma","Cancer cell line",TRUE,"ACH-001514",NA,NA,NA,NA
+"529","HCC1011","Kidney",NA,NA,NA,NA,"HCC1011",NA,NA,NA,NA,NA,NA,NA,NA,"HCC1011",NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V675","HCC1011_465_2019",NA,"kidney","Multilocular cystic renal cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"530","HCC1143","Breast","HCC1143","HCC1143","HCC1143","HCC1143","HCC1143",NA,"HCC1143",NA,"HCC1143","HCC1143","HCC1143","hcc1143","HCC1143","HCC1143","HCC1143",NA,"HCC1143_BREAST","breast","breast","breast","breast","Breast",NA,"breast","breast","breast","HCC1143","breast","breast","breast","Breast","breast",NA,NA,"HCC1143","breast",NA,"breast","CVCL_1245","HCC1143_466_2019","HCC1143","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000374",NA,NA,NA,NA
+"531","HCC1143 BL","Lymphoid",NA,NA,NA,"HCC1143BL",NA,NA,NA,NA,"HCC1143_BL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1246","HCC1143BL_467_2019",NA,"breast",NA,"Transformed cell line",NA,"ACH-002378",NA,NA,NA,NA
+"532","HCC1162","Uterus",NA,NA,NA,NA,"HCC1162",NA,NA,NA,NA,NA,NA,NA,NA,"HCC1162",NA,NA,NA,NA,NA,NA,NA,"Uterus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V651","HCC1162_468_2019",NA,"uterus","Endometrial adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"533","HCC1171","Lung",NA,"HCC-1171",NA,NA,"HCC1171",NA,NA,NA,"HCC-1171","HCC-1171",NA,NA,"HCC1171","HCC1171",NA,NA,NA,NA,"lung",NA,NA,"Lung",NA,NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"HCC1171","lung",NA,NA,NA,NA,"CVCL_5126","HCC1171_446_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000578",NA,NA,NA,NA
+"534","HCC1187","Breast","HCC1187","HCC1187",NA,"HCC1187","HCC1187",NA,"HCC1187","HCC1187","HCC1187","HCC1187","HCC1187","hcc1187",NA,"HCC1187","HCC1187",NA,NA,"breast","breast",NA,"breast","Breast",NA,"Breast","breast",NA,"HCC1187","breast","breast",NA,"Breast","breast",NA,NA,NA,NA,NA,NA,"CVCL_1247","HCC1187_469_2019","HCC1187","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000111",NA,NA,NA,NA
+"535","HCC1187 BL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1248","HCC1187 BL5352021_",NA,NA,NA,NA,NA,"ACH-002373",NA,NA,NA,NA
+"536","HCC1195","Lung",NA,"HCC-1195",NA,NA,NA,"HCC1195",NA,NA,"HCC-1195","HCC-1195",NA,NA,"HCC1195",NA,NA,NA,"HCC1195_LUNG",NA,"lung",NA,NA,NA,"LUNG",NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"HCC1195","lung",NA,NA,NA,"lung","CVCL_5127","HCC1195_447_2019",NA,"lung","Adenosquamous lung carcinoma","Cancer cell line",NA,"ACH-000868",NA,NA,NA,NA
+"537","HCC12","Kidney",NA,NA,NA,NA,"HCC12",NA,NA,NA,NA,NA,NA,NA,NA,"HCC12",NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V719","HCC12_470_2019",NA,"kidney","Renal cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"538","HCC1263","Bowel",NA,NA,NA,NA,"HCC1263",NA,NA,NA,NA,NA,NA,NA,NA,"HCC1263",NA,NA,NA,NA,NA,NA,NA,"Colon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V686","HCC1263_471_2019",NA,"large_intestine","Colorectal adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"539","HCC1319","Kidney",NA,NA,NA,NA,"HCC1319",NA,NA,NA,NA,NA,NA,NA,NA,"HCC1319",NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V671","HCC1319_472_2019",NA,"kidney","Renal cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"540","HCC1359","Lung",NA,"HCC-1359",NA,NA,"HCC1359","HCC1359",NA,NA,"HCC-1359","HCC-1359",NA,NA,NA,"HCC-1359",NA,NA,"HCC1359_LUNG",NA,"lung",NA,NA,"Lung","LUNG",NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung","CVCL_5128","HCC1359_448_2019",NA,"lung","Lung giant cell carcinoma","Cancer cell line",NA,"ACH-000901",NA,NA,NA,NA
+"541","HCC1395","Breast","HCC1395","HCC1395","HCC1395","HCC1395","HCC1395",NA,"HCC1395",NA,"HCC1395","HCC1395","HCC1395","hcc1395","HCC1395","HCC1395","HCC1395",NA,NA,"breast","breast","breast","breast","Breast",NA,"0","breast","breast","HCC1395","breast","breast","breast",NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_1249","HCC1395_473_2019","HCC1395","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000699",NA,NA,NA,NA
+"542","HCC1395 BL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1250","HCC1395 BL5422021_",NA,NA,NA,NA,NA,"ACH-002382",NA,NA,NA,NA
+"543","HCC1419","Breast","HCC1419","HCC1419",NA,"HCC1419","HCC1419",NA,"HCC1419",NA,"HCC1419","HCC1419","HCC1419","hcc1419","HCC1419","HCC1419","HCC1419",NA,"HCC1419_BREAST","breast","breast",NA,"breast","Breast",NA,"Breast","breast","breast","HCC1419","breast","breast","breast","Breast","breast","HCC1419","breast",NA,NA,NA,"breast","CVCL_1251","HCC1419_474_2019","HCC1419","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000277",NA,NA,NA,NA
+"544","HCC1428","Breast",NA,"HCC1428",NA,"HCC1428","HCC1428",NA,"HCC1428",NA,"HCC1428","HCC1428","HCC1428","hcc1428","HCC1428","HCC1428","HCC1428",NA,"HCC1428_BREAST",NA,"breast",NA,"breast","Breast",NA,"Breast","breast",NA,NA,"breast","breast","breast",NA,"breast","HCC1428","breast",NA,NA,NA,"breast","CVCL_1252","HCC1428_475_2019","HCC1428","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000352",NA,NA,NA,NA
+"545","HCC1438","Lung",NA,"HCC-1438",NA,NA,NA,NA,NA,NA,"HCC-1438","HCC-1438",NA,NA,"HCC1438",NA,NA,NA,"HCC1438_LUNG",NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"HCC1438","lung",NA,NA,NA,"lung","CVCL_L088","HCC1438_449_2019",NA,"lung","Large cell lung carcinoma","Cancer cell line",NA,"ACH-000891",NA,NA,NA,NA
+"546","HCC1482","Cervix",NA,NA,NA,NA,"HCC1482",NA,NA,NA,NA,NA,NA,NA,NA,"HCC1482",NA,NA,NA,NA,NA,NA,NA,"Uterus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V591","HCC1482_476_2019",NA,"uterus","Cervical adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"547","HCC1493","Breast",NA,NA,NA,NA,"HCC1493",NA,NA,NA,NA,NA,NA,NA,NA,"HCC1493",NA,NA,NA,NA,NA,NA,NA,"Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V592","HCC1493_477_2019",NA,"breast","Breast adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"548","HCC15","Lung",NA,"HCC-15",NA,NA,"HCC-15","HCC15","HCC-15",NA,"HCC-15","HCC-15","HCC-15",NA,"HCC15","HCC-15","HCC-15",NA,"HCC15_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung","lung",NA,NA,NA,NA,"lung","Lung","lung","HCC15","lung",NA,NA,NA,"lung","CVCL_2057","HCC15_450_2019","HCC-15","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000878",NA,NA,NA,NA
+"549","HCC1500","Breast",NA,"HCC1500",NA,"HCC1500","HCC1500",NA,"HCC1500",NA,"HCC1500","HCC1500","HCC1500","hcc1500","HCC1500","HCC1500","HCC1500",NA,NA,NA,"breast",NA,"breast","Breast",NA,"Breast","breast",NA,NA,"breast","breast","breast",NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_1254","HCC1500_478_2019","HCC1500","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000349",NA,NA,NA,NA
+"550","HCC1534","Lung",NA,NA,NA,NA,"HCC1534",NA,NA,NA,NA,NA,NA,NA,NA,"HCC1534",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V595","HCC1534_479_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"551","HCC1569","Breast","HCC1569","HCC1569",NA,"HCC1569","HCC1569",NA,"HCC1569",NA,"HCC1569","HCC1569","HCC1569","hcc1569","HCC1569","HCC1569","HCC1569",NA,NA,"breast","breast",NA,"breast","Breast",NA,"Breast","breast","breast","HCC1428","breast","breast","breast",NA,"breast","HCC1569","breast",NA,NA,NA,NA,"CVCL_1255","HCC1569_480_2019","HCC1569","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000930",NA,NA,NA,NA
+"552","HCC1576","Adrenal Gland",NA,NA,NA,NA,"HCC1576",NA,NA,NA,NA,NA,NA,NA,NA,"HCC1576",NA,NA,NA,NA,NA,NA,NA,"Adrenal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V597","HCC1576_481_2019",NA,"adrenal_gland","Adrenal cortex carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"553","HCC1588","Lung",NA,"HCC-1588",NA,NA,NA,NA,NA,NA,"HCC-1588","HCC-1588",NA,NA,"HCC1588",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"HCC1588","lung",NA,NA,NA,NA,"CVCL_A351","HCC1588_451_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-001078",NA,NA,NA,NA
+"554","HCC1599","Breast","HCC1599","HCC1599","HCC1599","HCC1599","HCC1599",NA,"HCC1599",NA,"HCC1599","HCC1599","HCC1599","hcc1599",NA,"HCC1599","HCC1599",NA,NA,"breast","breast","breast","breast","Breast",NA,"breast","breast",NA,"HCC1569","breast","breast",NA,NA,"breast",NA,NA,"HCC1599","breast",NA,NA,"CVCL_1256","HCC1599_482_2019","HCC1599","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000196",NA,NA,NA,NA
+"555","HCC1599 BL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1257","HCC1599 BL5552021_",NA,NA,NA,NA,NA,"ACH-002374",NA,NA,NA,NA
+"556","HCC1806","Breast","HCC1806","HCC1806",NA,"HCC1806","HCC1806",NA,"HCC1806","HCC1806","HCC1806","HCC1806","HCC1806","hcc1806","HCC1806","HCC1806","HCC1806",NA,"HCC1806_BREAST","breast","breast",NA,"breast","Breast",NA,"Breast","breast","breast","HCC1806","breast","breast","breast","Breast","breast","HCC1806","breast",NA,NA,NA,"breast","CVCL_1258","HCC1806_483_2019","HCC1806","breast","Squamous cell breast carcinoma, acantholytic variant","Cancer cell line",NA,"ACH-000624",NA,NA,NA,NA
+"557","HCC1833","Lung",NA,"HCC-1833",NA,NA,NA,"HCC1833",NA,NA,"HCC-1833","HCC-1833",NA,NA,"HCC1833",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"LUNG",NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"HCC1833","lung",NA,NA,NA,NA,"CVCL_5129","HCC1833_452_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000712",NA,NA,NA,NA
+"558","HCC1897","Lung",NA,"HCC-1897",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V578","HCC1897_453_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-001079",NA,NA,NA,NA
+"559","HCC193","Lung",NA,NA,NA,NA,"HCC193",NA,NA,NA,NA,NA,NA,NA,NA,"HCC193",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5130","HCC193_484_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"560","HCC1937","Breast","HCC1937","HCC1937","HCC1937","HCC1937","HCC1937",NA,"HCC1937",NA,"HCC1937","HCC1937","HCC1937","hcc1937","HCC1937","HCC1937","HCC1937",NA,"HCC1937_BREAST","breast","breast","breast","breast","Breast",NA,"Breast","breast","breast","HCC1937","breast","breast","breast","Breast","breast","HCC1937","breast","HCC1937","breast",NA,"breast","CVCL_0290","HCC1937_485_2019","HCC1937","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000223",NA,NA,NA,NA
+"561","HCC1937 BL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3281","HCC1937 BL5612021_",NA,NA,NA,NA,NA,"ACH-002375",NA,NA,NA,NA
+"562","HCC1954","Breast","HCC1954","HCC1954","HCC1954","HCC1954","HCC1954",NA,"HCC1954",NA,"HCC1954","HCC1954","HCC1954","hcc1954","HCC1954","HCC1954","HCC1954",NA,NA,"breast","breast","breast","breast","Breast",NA,"Breast","breast","breast","HCC1954","breast","breast","breast","Breast","breast","HCC1954","breast",NA,NA,NA,NA,"CVCL_1259","HCC1954_486_2019","HCC1954","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000859",NA,NA,NA,NA
+"563","HCC1954 BL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1260","HCC1954 BL5632021_",NA,NA,NA,NA,NA,"ACH-002384",NA,NA,NA,NA
+"564","HCC202","Breast",NA,"HCC202",NA,"HCC202","HCC202",NA,"HCC202",NA,"HCC202","HCC202","HCC202","hcc202///acc202","HCC202","HCC202","HCC202",NA,NA,NA,"breast",NA,"breast","Breast",NA,"Breast","breast",NA,"HCC202","breast","breast","breast",NA,"breast","HCC202","breast",NA,NA,NA,NA,"CVCL_2062","HCC202_487_2019","HCC202","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000725",NA,NA,NA,NA
+"565","HCC2108","Lung",NA,"HCC-2108",NA,NA,NA,"HCC2108",NA,NA,"HCC-2108","HCC-2108",NA,NA,"HCC2108",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"LUNG",NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"HCC2108","lung",NA,NA,NA,NA,"CVCL_A352","HCC2108_454_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000314",NA,NA,NA,NA
+"566","HCC2157","Breast","HCC2157","HCC2157","HCC2157","HCC2157","HCC2157",NA,"HCC2157",NA,"HCC2157","HCC2157","HCC2157",NA,NA,"HCC2157","HCC2157",NA,NA,"breast","breast","breast","breast","Breast",NA,"Breast","breast","breast",NA,NA,"breast",NA,NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_1261","HCC2157_488_2019","HCC2157","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000691",NA,NA,NA,NA
+"567","HCC2157 BL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1262","HCC2157 BL5672021_",NA,NA,NA,NA,NA,"ACH-002381",NA,NA,NA,NA
+"568","HCC2185","Breast",NA,NA,NA,"HCC2185",NA,NA,NA,NA,NA,NA,NA,"hcc2185",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,"HCC2185","breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3375","HCC2185_489_2019",NA,"breast","Metastatic lobular breast carcinoma","Cancer cell line",TRUE,"ACH-002322",NA,NA,NA,NA
+"569","HCC2218","Breast","HCC2218","HCC2218","HCC2218","HCC2218","HCC2218",NA,"HCC2218",NA,"HCC2218","HCC2218","HCC2218","hcc2218","HCC2218","HCC2218","HCC2218",NA,NA,"breast","breast","breast","breast","Breast",NA,"Breast","breast","breast",NA,"breast","breast","breast","Breast","breast",NA,NA,NA,NA,NA,NA,"CVCL_1263","HCC2218_490_2019","HCC2218","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000755",NA,NA,NA,NA
+"570","HCC2218 BL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1264","HCC2218 BL5702021_",NA,NA,NA,NA,NA,"ACH-002383",NA,NA,NA,NA
+"571","HCC2270","Lung",NA,NA,NA,NA,"HCC2270",NA,NA,NA,NA,NA,NA,NA,NA,"HCC2270",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V635","HCC2270_491_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"572","HCC2279","Lung",NA,"HCC-2279",NA,NA,"HCC2279",NA,NA,NA,"HCC-2279","HCC-2279",NA,NA,"HCC2279","HCC2279",NA,NA,NA,NA,"lung",NA,NA,"Lung",NA,NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"HCC2279","lung",NA,NA,NA,NA,"CVCL_5131","HCC2279_455_2019",NA,"lung","Adenosquamous lung carcinoma","Cancer cell line",NA,"ACH-000731",NA,NA,NA,NA
+"573","HCC2302","Lung",NA,NA,NA,NA,"HCC2302",NA,NA,NA,NA,NA,NA,NA,NA,"HCC2302",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V636","HCC2302_492_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"574","HCC2429","Lung",NA,"HCC2429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5132","HCC24295742021_",NA,"lung",NA,"Cancer cell line",NA,"ACH-000143",NA,NA,NA,NA
+"575","HCC2450","Lung",NA,"HCC2450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5133","HCC24505752021_",NA,"lung",NA,"Cancer cell line",NA,"ACH-000975",NA,NA,NA,NA
+"576","HCC2688","Breast",NA,NA,NA,NA,"HCC2688",NA,NA,NA,NA,NA,NA,"hcc2688",NA,"HCC2688",NA,NA,NA,NA,NA,NA,NA,"Breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3376","HCC2688_493_2019",NA,"breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-002323",NA,NA,NA,NA
+"577","HCC2814","Lung",NA,"HCC-2814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V586","HCC2814_456_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000690",NA,NA,NA,NA
+"578","HCC2885","Lung",NA,NA,NA,NA,"HCC2885",NA,NA,NA,NA,NA,NA,NA,NA,"HCC2885",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V588","HCC2885_494_2019",NA,"lung","Non-small cell lung carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"579","HCC2911","Breast",NA,NA,NA,NA,"HCC2911",NA,NA,NA,NA,NA,NA,NA,NA,"HCC2911",NA,NA,NA,NA,NA,NA,NA,"Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0V16","HCC2911_495_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"580","HCC2935","Lung",NA,"HCC2935",NA,NA,"HCC2935","HCC2935",NA,NA,"HCC2935","HCC2935",NA,NA,"HCC2935","HCC2935",NA,NA,NA,NA,"lung",NA,NA,"Lung","LUNG",NA,"lung",NA,NA,NA,"lung","lung",NA,NA,"HCC2935","lung",NA,NA,NA,NA,"CVCL_1265","HCC2935_496_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000150",NA,NA,NA,NA
+"581","HCC2998","Bowel","HCC2998",NA,"HCC2998",NA,NA,NA,"HCC2998","HCC2998",NA,NA,"HCC2998",NA,NA,"HCC2998","HCC2998","HCC-2998///CO.HCC.2998",NA,"large_intestine",NA,"colon",NA,NA,NA,"Intestine",NA,"digestive_system",NA,NA,"large_intestine",NA,NA,"large_intestine",NA,NA,NA,NA,"Colon Cancer///Colon",NA,"CVCL_1266","HCC2998_497_2019","HCC2998","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-001081",NA,NA,NA,NA
+"582","HCC3153","Breast",NA,NA,NA,"HCC3153",NA,NA,NA,NA,NA,NA,NA,"hcc3153",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,"HCC3153","breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3377","HCC3153_498_2019",NA,"breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-002324",NA,NA,NA,NA
+"583","HCC33","Lung",NA,"HCC-33",NA,NA,"HCC33","HCC33",NA,NA,"HCC-33","HCC-33","HCC-33",NA,"HCC33","HCC33","HCC-33",NA,NA,NA,"lung",NA,NA,"Lung","LUNG",NA,"lung",NA,NA,NA,NA,"lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_2058","HCC33_457_2019","HCC-33","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000515",NA,NA,NA,NA
+"584","HCC364","Lung",NA,"HCC364",NA,NA,"HCC364",NA,NA,NA,NA,NA,NA,NA,NA,"HCC364",NA,NA,NA,NA,"lung",NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5134","HCC364_499_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000575",NA,NA,NA,NA
+"585","HCC366","Lung",NA,"HCC-366",NA,NA,"HCC366",NA,"HCC-366",NA,"HCC-366","HCC-366","HCC-366",NA,"HCC366","HCC366","HCC-366",NA,"HCC366_LUNG",NA,"lung",NA,NA,"Lung",NA,"Lung","lung",NA,NA,NA,NA,"lung",NA,"lung","HCC366","lung",NA,NA,NA,"lung","CVCL_2059","HCC366_458_2019","HCC-366","lung","Adenosquamous lung carcinoma","Cancer cell line",NA,"ACH-000840",NA,NA,NA,NA
+"586","HCC38","Breast","HCC38","HCC38","HCC38","HCC38","HCC38",NA,"HCC38",NA,"HCC38","HCC38","HCC38","hcc38","HCC38","HCC38","HCC38",NA,"HCC38_BREAST","breast","breast","breast","breast","Breast",NA,"breast","breast",NA,"HCC38","breast","breast","breast","Breast","breast","HCC38","breast",NA,NA,NA,"breast","CVCL_1267","HCC38_500_2019","HCC38","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000276",NA,NA,NA,NA
+"587","HCC38 BL","Breast",NA,NA,NA,"HCC38BL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1268","HCC38BL_501_2019",NA,"breast",NA,"Transformed cell line",NA,"ACH-002377",NA,NA,NA,NA
+"588","HCC4006","Lung",NA,"HCC4006",NA,NA,"HCC4006","HCC4006",NA,NA,"HCC4006","HCC4006",NA,NA,"HCC4006","HCC4006",NA,NA,"HCC4006_LUNG",NA,"lung",NA,NA,"Lung","LUNG",NA,"lung",NA,NA,NA,"lung","lung","Lung",NA,"HCC4006","lung",NA,NA,NA,"lung","CVCL_1269","HCC4006_502_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000066",NA,NA,NA,NA
+"589","HCC4011","Lung",NA,NA,NA,NA,"HCC4011",NA,NA,NA,NA,NA,NA,NA,NA,"HCC4011",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_S700","HCC4011_503_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"590","HCC4017","Lung",NA,NA,NA,NA,"HCC4017",NA,NA,NA,NA,NA,NA,NA,NA,"HCC4017",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V579","HCC4017_504_2019",NA,"lung","Large cell lung carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"591","HCC44","Lung",NA,"HCC-44",NA,NA,"HCC44","HCC44","HCC-44",NA,"HCC-44","HCC-44","HCC-44",NA,"HCC44","HCC44","HCC-44",NA,"HCC44_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung","lung",NA,NA,NA,"lung","lung","Lung","lung","HCC44","lung",NA,NA,NA,"lung","CVCL_2060","HCC44_459_2019","HCC-44","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000667",NA,NA,NA,NA
+"592","HCC461","Lung",NA,"HCC461",NA,NA,"HCC461",NA,NA,NA,NA,NA,NA,NA,NA,"HCC461",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5135","HCC461_505_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000339",NA,NA,NA,NA
+"593","HCC515","Lung",NA,"HCC515",NA,NA,"HCC515",NA,NA,NA,NA,NA,NA,NA,NA,"HCC515",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5136","HCC515_506_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000872",NA,NA,NA,NA
+"594","HCC60","Lung",NA,NA,NA,NA,"HCC60",NA,NA,NA,NA,NA,NA,NA,NA,"HCC60",NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_G002","HCC60_507_2019",NA,"ovary","Lung adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"595","HCC630","Ovary/Fallopian Tube",NA,NA,NA,NA,"HCC630",NA,NA,NA,NA,NA,NA,NA,NA,"HCC630",NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V729","HCC630_508_2019",NA,"ovary","Ovarian carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"596","HCC70","Breast","HCC70","HCC70","HCC70","HCC70","HCC70",NA,"HCC70",NA,"HCC70","HCC70","HCC70","hcc70",NA,"HCC70","HCC70",NA,NA,"breast","breast","breast","breast","Breast",NA,"Breast","breast","breast","HCC70///HCL70","breast","breast",NA,NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_1270","HCC70_509_2019","HCC70","breast","Ductal breast carcinoma","Cancer cell line",NA,"ACH-000668",NA,NA,NA,NA
+"597","HCC712","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hcc712",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3378","HCC712_510_2019",NA,"breast","Ductal breast carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"598","HCC78","Lung",NA,"HCC-78",NA,NA,"HCC78","HCC78","HCC-78",NA,"HCC-78","HCC-78","HCC-78",NA,"HCC78","HCC78","HCC-78",NA,"HCC78_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung",NA,NA,NA,NA,"lung","Lung","lung","HCC78","lung",NA,NA,NA,"lung","CVCL_2061","HCC78_461_2019","HCC-78","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000562",NA,NA,NA,NA
+"599","HCC812","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hcc812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCC812_511_2019",NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA
+"600","HCC827","Lung",NA,"HCC827",NA,NA,"HCC827","HCC827","HCC-827",NA,"HCC827","HCC827","HCC-827",NA,"HCC827","HCC827","HCC-827",NA,"HCC827_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung","lung",NA,NA,NA,"lung","lung","Lung","lung","HCC827","lung",NA,NA,NA,"lung","CVCL_2063","HCC827_512_2019","HCC-827","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000012",NA,NA,NA,NA
+"601","HCC827 GR5","Lung",NA,"HCC-827-GR5///HCC827 GR5",NA,NA,NA,NA,NA,NA,"HCC-827-GR5///lung","HCC-827-GR5///lung",NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V622","HCC827GR5_462_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000029",NA,NA,NA,NA
+"602","HCC827GR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCC827GR6022021_",NA,NA,NA,NA,NA,"ACH-002333",NA,NA,NA,NA
+"603","HCC89","Kidney",NA,NA,NA,NA,"HCC89",NA,NA,NA,NA,NA,NA,NA,NA,"HCC89",NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V731","HCC89_513_2019",NA,"kidney","Renal cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"604","HCC95","Lung",NA,"HCC-95",NA,NA,NA,NA,NA,NA,"HCC-95","HCC-95",NA,NA,"HCC95","HCC95",NA,NA,"HCC95_LUNG",NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"HCC95","lung",NA,NA,NA,"lung","CVCL_5137","HCC95_463_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000454",NA,NA,NA,NA
+"605","HCE-4","Esophagus/Stomach","HCE-4",NA,NA,NA,NA,NA,"HCE-4","HCE-4",NA,NA,"HCE-4",NA,NA,NA,"HCE-4",NA,NA,"oesophagus",NA,NA,NA,NA,NA,"Esophagus",NA,"aero_digestive_tract",NA,NA,"oesophagus",NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,"CVCL_1271","HCE4_514_2019","HCE-4","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-002243",NA,NA,NA,NA
+"606","HCE-7","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"HCE-7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,"oesophagus",NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,"CVCL_5138","HCE7_515_2019",NA,"oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"607","HCE-T","Other","HCE-T",NA,NA,NA,NA,NA,"HCE-T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"Sinus",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1272","HCET_516_2019",NA,"upper_aerodigestive_tract",NA,"Transformed cell line",NA,"ACH-002336",NA,NA,NA,NA
+"608","HCS-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2918","HCS-26082021_",NA,NA,NA,NA,NA,"ACH-001515",NA,NA,NA,NA
+"609","HCSC1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCSC16092021_",NA,NA,NA,NA,NA,"ACH-001516",NA,NA,NA,NA
+"610","HCT 116","Bowel","HCT-116","HCT 116","HCT116",NA,"HCT 116","HCT116","HCT-116","HCT-116","HCT_116","HCT_116","HCT-116","hct116","HCT116","HCT 116","HCT-116","HCT-116///CO.HCT.116","HCT116_LARGE_INTESTINE","large_intestine","large_intestine","colon",NA,"Colon","LARGE_INTESTINE","Intestin","large_intestine","digestive_system",NA,"colon","large_intestine","large_intestine","Colon","large_intestine",NA,NA,NA,NA,"Colon Cancer///Colon","colorectal","CVCL_0291","HCT116_517_2019","HCT-116","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000971",NA,NA,NA,NA
+"611","HCT 15","Bowel","HCT-15","HCT-15","HCT15",NA,"HCT-15",NA,"HCT-15","HCT-15","HCT-15","HCT-15","HCT-15",NA,"HCT15","HCT-15","HCT-15","HCT-15///CO.HCT.15","HCT15_LARGE_INTESTINE","large_intestine","large_intestine","colon",NA,"Colon",NA,"Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","HCT15","large_intestine",NA,NA,"Colon Cancer///Colon","colorectal","CVCL_0292","HCT15_518_2019","HCT-15","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000997",NA,NA,NA,NA
+"612","HCT 8","Bowel",NA,"HCT-8","HCT8",NA,"HCT-8","HCT8",NA,NA,NA,NA,NA,NA,"HCT8","HCT-8",NA,NA,NA,NA,"large_intestine","colon",NA,"Ileum","LARGE_INTESTINE",NA,NA,NA,NA,NA,"large_intestine","large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2478","HCT8_519_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-001084",NA,NA,NA,NA
+"613","HCT-116/CMV-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCT-116/CMV-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"HCT-116/CMV-16132021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"614","HCT-116/CMV-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCT-116/CMV-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"HCT-116/CMV-26142021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"615","HCT-116/E6-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCT-116/E6-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"HCT-116/E6-16152021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"616","HCT-116/E6-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCT-116/E6-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"HCT-116/E6-26162021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"617","HCT-116/P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCT-116/P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"HCT-116/P6172021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"618","HCT-116/P21/A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCT-116/P21/A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"HCT-116/P21/A6182021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"619","HCT-116/P21/B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCT-116/P21/B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"HCT-116/P21/B6192021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"620","HCT-116/P21/C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCT-116/P21/C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"HCT-116/P21/C6202021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"621","HCT-116/PV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HCT-116/PV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"HCT-116/PV6212021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"622","HD-MY-Z","Myeloid","HD-MY-Z","HD-MY-Z","HDMYZ",NA,NA,NA,"HD-MY-Z",NA,"HD-MY-Z","HD-MY-Z","HD-MY-Z",NA,"HDMYZ",NA,"HD-MY-Z",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1273","HDMYZ_520_2019","HD-MY-Z","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000190",NA,NA,NA,NA
+"623","HDLM-2","Lymphoid","HDLM-2","HDLM-2",NA,NA,NA,NA,"HDLM-2","HDLM-2",NA,NA,"HDLM-2",NA,"HDLM2",NA,"HDLM-2",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0009","HDLM2_521_2019","HDLM-2","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000267",NA,NA,NA,NA
+"624","HDQ-P1","Breast",NA,"HDQ-P1",NA,"HDQP1",NA,NA,"HDQ-P1",NA,"HDQ-P1","HDQ-P1","HDQ-P1","hdqp1","HDQP1","HDQ-P1","HDQ-P1",NA,"HDQP1_BREAST",NA,"breast",NA,"breast",NA,NA,"Breast","breast",NA,"9-hdqp1///HDQP1","breast","breast","breast","Breast","breast",NA,NA,"HDQP1","breast",NA,"breast","CVCL_2067","HDQP1_522_2019","HDQ-P1","breast","Breast carcinoma","Cancer cell line",NA,"ACH-000643",NA,NA,NA,NA
+"625","HEC-1","Uterus","HEC-1",NA,NA,NA,NA,NA,"HEC-1","HEC-1",NA,NA,"HEC-1",NA,NA,NA,"HEC-1",NA,NA,"endometrium","endometrium",NA,NA,NA,NA,"Uterus","endometrium","urogenital_system",NA,NA,"endometrium",NA,"Uterus","endometrium",NA,NA,NA,NA,NA,NA,"CVCL_1274","HEC1_523_2019","HEC-1","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-001517",NA,NA,NA,NA
+"626","HEC-1-A","Uterus",NA,"HEC-1-A","HEC1A",NA,"HEC-1-A",NA,NA,NA,"HEC-1-A","HEC-1-A",NA,NA,"HEC1A","HEC-1-A",NA,NA,"HEC1A_ENDOMETRIUM",NA,"endometrium","uterus",NA,"Uterus",NA,NA,"endometrium",NA,NA,NA,"endometrium","endometrium","Uterus",NA,"HEC1A","endometrium",NA,NA,NA,"uterus","CVCL_0293","HEC1A_524_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000954",NA,NA,NA,NA
+"627","HEC-1-B","Uterus",NA,"HEC-1-B","HEC1B",NA,NA,NA,NA,NA,"HEC-1-B","HEC-1-B",NA,NA,"HEC1B","HEC-1-B",NA,NA,"HEC1B_ENDOMETRIUM",NA,NA,"uterus",NA,NA,NA,NA,NA,NA,NA,NA,"endometrium","endometrium",NA,NA,"HEC1B","endometrium",NA,NA,NA,"uterus","CVCL_0294","HEC1B_532_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000941",NA,NA,NA,NA
+"628","HEC-108","Uterus",NA,"HEC-108",NA,NA,NA,"HEC108",NA,NA,"HEC-108","HEC-108",NA,NA,"HEC108","HEC-108",NA,NA,"HEC108_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"endometrium","endometrium",NA,NA,"HEC108","endometrium",NA,NA,NA,"uterus","CVCL_2923","HEC108_525_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000990",NA,NA,NA,NA
+"629","HEC-116","Uterus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2924","HEC-1166292021_",NA,NA,NA,NA,NA,"ACH-001518",NA,NA,NA,NA
+"630","HEC-151","Uterus",NA,"HEC-151",NA,NA,NA,"HEC151",NA,NA,"HEC-151","HEC-151",NA,NA,"HEC151","HEC-151",NA,NA,"HEC151_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"endometrium","endometrium","Uterus",NA,"HEC151","endometrium",NA,NA,NA,"uterus","CVCL_2925","HEC151_526_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000972",NA,NA,NA,NA
+"631","HEC-251","Uterus",NA,"HEC-251",NA,NA,NA,"HEC251",NA,NA,"HEC-251","HEC-251",NA,NA,"HEC251","HEC-251",NA,NA,"HEC251_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"endometrium","endometrium","Uterus",NA,"HEC251","endometrium",NA,NA,NA,"uterus","CVCL_2927","HEC251_527_2019",NA,"endometrium","Endometrial carcinoma","Cancer cell line",NA,"ACH-000996",NA,NA,NA,NA
+"632","HEC-265","Uterus",NA,"HEC-265",NA,NA,NA,"HEC265",NA,NA,"HEC-265","HEC-265",NA,NA,"HEC265","HEC-265",NA,NA,"HEC265_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"endometrium","endometrium","Uterus",NA,"HEC265","endometrium",NA,NA,NA,"uterus","CVCL_2928","HEC265_528_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000946",NA,NA,NA,NA
+"633","HEC-50B","Uterus",NA,"HEC-50B",NA,NA,NA,NA,NA,NA,"HEC-50B","HEC-50B",NA,NA,"HEC50B","HEC-50B",NA,NA,NA,NA,"endometrium",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,"endometrium","endometrium",NA,NA,"HEC50B","endometrium",NA,NA,NA,NA,"CVCL_2929","HEC50B_529_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",TRUE,"ACH-000831",NA,NA,NA,NA
+"634","HEC-59","Uterus",NA,"HEC-59",NA,NA,NA,"HEC59",NA,NA,"HEC-59","HEC-59",NA,NA,"HEC59","HEC-59",NA,NA,"HEC59_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"endometrium","endometrium","Uterus",NA,"HEC59","endometrium",NA,NA,NA,"uterus","CVCL_2930","HEC59_530_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000994",NA,NA,NA,NA
+"635","HEC-6","Uterus",NA,"HEC-6",NA,NA,NA,"HEC6",NA,NA,"HEC-6","HEC-6",NA,NA,"HEC6","HEC-6",NA,NA,"HEC6_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"endometrium","endometrium","Uterus",NA,"HEC6","endometrium",NA,NA,NA,"uterus","CVCL_2931","HEC6_531_2019",NA,"endometrium","Endometrial endometrioid adenocarcinoma, variant with squamous differentiation","Cancer cell line",NA,"ACH-000984",NA,NA,NA,NA
+"636","HEK TE","Kidney",NA,"HEK TE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WS59","HEKTE_533_2019",NA,"kidney",NA,"Transformed cell line",NA,"ACH-000049",NA,NA,NA,NA
+"637","HEL","Myeloid","HEL","HEL",NA,NA,"HEL",NA,"HEL",NA,"HEL","HEL","HEL",NA,"HEL","HEL","HEL",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0001","HEL_534_2019","HEL","haematopoietic_and_lymphoid_tissue","Erythroleukemia","Cancer cell line",NA,"ACH-000004",NA,NA,NA,NA
+"638","HEL 92.1.7","Myeloid",NA,"HEL 92.1.7","HEL9217",NA,NA,NA,NA,NA,"HEL_92.1.7","HEL_92.1.7",NA,NA,"HEL9217",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2481","HEL92.1.7_535_2019",NA,"haematopoietic_and_lymphoid_tissue","Erythroleukemia","Cancer cell line",NA,"ACH-000005",NA,NA,NA,NA
+"639","HEY","Ovary/Fallopian Tube",NA,NA,NA,NA,"HEY",NA,"Hey","Hey",NA,NA,"Hey",NA,NA,"HEY","Hey",NA,NA,NA,NA,NA,NA,"Ovary",NA,"ovary",NA,NA,NA,NA,"ovary",NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_0297","HEY_541_2019","Hey","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-002140",NA,NA,NA,NA
+"640","HEY A8","Ovary/Fallopian Tube",NA,"Hey-A8",NA,NA,NA,"HEYA8",NA,NA,"Hey-A8","Hey-A8",NA,NA,"HEYA8",NA,NA,NA,"HEYA8_OVARY",NA,"ovary",NA,NA,NA,"OVARY",NA,"ovary",NA,NA,NA,"ovary","ovary",NA,NA,"HEYA8","ovary",NA,NA,NA,"ovary","CVCL_8878","HeyA8_542_2019",NA,"ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000542",NA,NA,NA,NA
+"641","HEp-2","Cervix",NA,NA,NA,NA,"HEp-2",NA,NA,NA,NA,NA,NA,NA,NA,"HEp-2",NA,NA,NA,NA,NA,NA,NA,"Cervix",NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1906","HEp2_540_2019",NA,"upper_aerodigestive_tract","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"642","HG-3","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_Y547","HG-36422021_",NA,NA,NA,NA,NA,"ACH-001520",NA,NA,NA,NA
+"643","HGC-27","Esophagus/Stomach","HGC-27","HGC-27",NA,NA,"HGC-27",NA,"HGC-27",NA,"HGC-27","HGC-27","HGC-27",NA,"HGC27","HGC-27","HGC-27",NA,"HGC27_STOMACH","stomach","stomach",NA,NA,"Stomach",NA,"Stomach","stomach","digestive_system",NA,NA,"stomach","stomach","Stomach","stomach",NA,NA,NA,NA,NA,"gastric","CVCL_1279","HGC27_543_2019","HGC-27","stomach","Gastric carcinoma","Cancer cell line",TRUE,"ACH-000847",NA,NA,NA,NA
+"644","HH [Human lymphoma]","Lymphoid","HH","HH","HH",NA,NA,NA,"HH",NA,"HH","HH","HH",NA,"HH","HH","HH",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1280","HH_544_2019","HH","haematopoietic_and_lymphoid_tissue","Cutaneous T-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-000061",NA,NA,NA,NA
+"645","HHUA","Uterus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3866","HHUA6452021_",NA,NA,NA,NA,NA,"ACH-002026",NA,NA,NA,NA
+"646","HK-2 [Human kidney]","Kidney",NA,"HK-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0302","HK2_545_2019",NA,"kidney",NA,"Transformed cell line",NA,"ACH-001087",NA,NA,NA,NA
+"647","HKA-1","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2943","HKA-16472021_",NA,NA,NA,NA,NA,"ACH-001521",NA,NA,NA,NA
+"648","HKGZCC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HKGZCC6482021_",NA,NA,NA,NA,NA,"ACH-001852",NA,NA,NA,NA
+"649","HL-60","Myeloid","HL-60","HL-60","HL60",NA,"HL-60",NA,"HL-60",NA,"HL-60","HL-60","HL-60",NA,"HL60","HL-60","HL-60",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0002","HL60_546_2019","HL-60","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000002",NA,NA,NA,NA
+"650","HL-60(TB)","Myeloid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HL-60(TB)///LE.HL.60.TB.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leukemia",NA,"CVCL_A794","HL-60(TB)6502021_",NA,NA,"Acute myeloid leukemia","Cancer cell line",NA,NA,NA,NA,NA,NA
+"651","HLC-1","Lung",NA,"HLC-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5529","HLC1_547_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-001088",NA,NA,NA,NA
+"652","HLE","Liver","HLE","HLE",NA,NA,NA,NA,"HLE","HLE",NA,NA,"HLE",NA,NA,NA,"HLE",NA,NA,"liver","liver",NA,NA,NA,NA,"Liver",NA,"digestive_system",NA,NA,"liver",NA,NA,"liver",NA,NA,NA,NA,NA,NA,"CVCL_1281","HLE_548_2019","HLE","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-001089",NA,NA,NA,NA
+"653","HLF","Liver",NA,"HLF",NA,NA,NA,NA,NA,NA,"HLF","HLF",NA,NA,"HLF","HLF",NA,NA,"HLF_LIVER",NA,"liver",NA,NA,NA,NA,NA,"liver",NA,NA,NA,"liver","liver","Liver",NA,"HLF","liver",NA,NA,NA,"liver","CVCL_2947","HLF_549_2019",NA,"liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000393",NA,NA,NA,NA
+"654","HLF-a","Lung",NA,"HLF-a",NA,NA,NA,NA,NA,NA,"HLF-a","HLF-a",NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2255","HLFa_550_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000797",NA,NA,NA,NA
+"655","HMC-1-8","Breast",NA,"HMC-1-8",NA,NA,NA,NA,NA,NA,"HMC-1-8","HMC-1-8",NA,NA,"HMC18",NA,NA,NA,"HMC18_BREAST",NA,"breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,"breast",NA,NA,"HMC18","breast",NA,NA,NA,"breast","CVCL_2949","HMC18_552_2019",NA,"breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000721",NA,NA,NA,NA
+"656","HMCB","Skin",NA,"HMCB","HMCB",NA,NA,NA,NA,NA,"HMCB","HMCB",NA,NA,"HMCB",NA,NA,NA,NA,NA,"skin","skin",NA,NA,NA,NA,"skin",NA,NA,NA,"skin","skin",NA,NA,"HMCB","skin",NA,NA,NA,NA,"CVCL_3317","HMCB_553_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000931",NA,NA,NA,NA
+"657","HMEL","Breast",NA,"HMEL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_IZ34","HMEL_554_2019",NA,"breast",NA,"Transformed cell line",NA,"ACH-000642",NA,NA,NA,NA
+"658","HMT-3522 S1","Breast",NA,NA,NA,"S1///HMT3522S1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2499","S1_1340_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"659","HMT-3522 T4-2","Breast",NA,NA,NA,"T4///HMT3522T42",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2501","T4_1558_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"660","HMV-II","Vulva/Vagina","HMV-II",NA,NA,NA,NA,NA,"HMV-II","HMV-II",NA,NA,"HMV-II",NA,NA,"HMVII","HMV-II",NA,NA,"skin",NA,NA,NA,NA,NA,"Skin",NA,"skin",NA,NA,"skin",NA,"Skin","skin",NA,NA,NA,NA,NA,NA,"CVCL_1282","HMVII_555_2019","HMV-II","skin","Vaginal melanoma","Cancer cell line",NA,"ACH-002040",NA,NA,NA,NA
+"661","HMY-1","Skin",NA,NA,NA,NA,"HMY-1",NA,NA,NA,NA,NA,NA,NA,NA,"HMY-1",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2950","HMY1_556_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,"ACH-001522",NA,NA,NA,NA
+"662","HN","Head and Neck","HN","HN",NA,NA,"HN",NA,"HN","HN",NA,NA,"HN",NA,NA,"HN","HN",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,"Oral Cavity",NA,"Head & Neck",NA,"aero_digestive_tract",NA,NA,"upper_aerodigestive_tract",NA,"Head and Neck","upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1283","HN_557_2019","HN","upper_aerodigestive_tract","Oral cavity squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001090",NA,NA,NA,NA
+"663","HN-5","Head and Neck",NA,NA,"HN5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HN-56632021_",NA,"upper_aerodigestive_tract","Tongue squamous cell carcinoma",NA,NA,NA,NA,NA,NA,NA
+"664","HNT-34","Myeloid",NA,"HNT-34",NA,NA,"HNT-34",NA,NA,NA,NA,NA,NA,NA,NA,"HNT-34",NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2071","HNT34_558_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000299",NA,NA,NA,NA
+"665","HO-1-N-1","Head and Neck","HO-1-N-1",NA,NA,NA,NA,NA,"HO-1-N-1","HO-1-N-1",NA,NA,"HO-1-N-1",NA,NA,"HO-1-N-1","HO-1-N-1",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"Head & Neck",NA,"aero_digestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1284","HO1N1_559_2019","HO-1-N-1","upper_aerodigestive_tract","Buccal mucosa squamous cell carcinoma","Cancer cell line",NA,"ACH-002244",NA,NA,NA,NA
+"666","HO-1-u-1","Head and Neck",NA,NA,NA,NA,NA,NA,"HO-1-u-1","HO-1-u-1",NA,NA,"HO-1-u-1",NA,NA,"HO-1-u-1","HO-1-u-1",NA,NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_2784","HO1u1_560_2019","HO-1-u-1","upper_aerodigestive_tract","Floor of mouth squamous cell carcinoma","Cancer cell line",NA,"ACH-002045",NA,NA,NA,NA
+"667","HOKUG","Cervix",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8705","HOKUG6672021_",NA,NA,NA,NA,NA,"ACH-002019",NA,NA,NA,NA
+"668","HOP-18","Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HOP-18",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Non-Small Cell Lung Cancer",NA,"CVCL_H642","HOP-186682021_",NA,NA,"Lung large cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"669","HOP-62","Lung","HOP-62","HOP-62","HOP62",NA,"HOP-62",NA,"HOP-62",NA,"HOP-62","HOP-62","HOP-62",NA,"HOP62","HOP-62","HOP-62","HOP-62///LC.HOP.62",NA,"lung",NA,"lung",NA,"Lung",NA,"Lung","lung","lung",NA,NA,"lung",NA,"Lung","lung","HOP62",NA,NA,NA,"Non-Small Cell Lung Cancer///Non-Small Cell Lung",NA,"CVCL_1285","HOP62_561_2019","HOP-62","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000861",NA,NA,NA,NA
+"670","HOP-92","Lung","HOP-92","HOP-92","HOP92",NA,"HOP-92",NA,"HOP-92",NA,"HOP-92","HOP-92","HOP-92",NA,"HOP92","HOP-92","HOP-92","HOP-92///LC.HOP.92",NA,"lung",NA,"lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung",NA,"Lung","lung","HOP92",NA,NA,NA,"Non-Small Cell Lung Cancer///Non-Small Cell Lung",NA,"CVCL_1286","HOP92_562_2019","HOP-92","lung","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-000825",NA,NA,NA,NA
+"671","HOS","Bone","HOS","HOS","HOS",NA,NA,NA,"HOS","HOSMNNG","HOS","HOS","HOS",NA,"HOS",NA,"HOS",NA,"HOS_BONE","bone","bone","sarcoma",NA,NA,NA,"Bone","bone","bone",NA,NA,"bone","bone",NA,"bone","HOS","bone",NA,NA,NA,"bone","CVCL_0312","HOS_563_2019","HOS","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000613",NA,NA,NA,NA
+"672","HOTHC","Thyroid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8708","HOTHC6722021_",NA,NA,NA,NA,NA,"ACH-002041",NA,NA,NA,NA
+"673","HOUA-I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3867","HOUA-I6732021_",NA,NA,NA,NA,NA,"ACH-002027",NA,NA,NA,NA
+"674","HPAC","Pancreas",NA,"HPAC","HPAC",NA,"HPAC","HPAC","HPAC",NA,"HPAC","HPAC","HPAC",NA,"HPAC","HPAC","HPAC",NA,"HPAC_PANCREAS",NA,"pancreas","pancreas",NA,"Pancreas","PANCREAS","Pancreas","pancreas",NA,NA,NA,"pancreas","pancreas","Pancreas","pancreas",NA,NA,NA,NA,NA,"pancreas","CVCL_3517","HPAC_564_2019","HPAC","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000270",NA,NA,NA,NA
+"675","HPAF-II","Pancreas","HPAF-II","HPAF-II","HPAFII",NA,"HPAF-II",NA,"HPAF-II",NA,"HPAF-II","HPAF-II","HPAF-II",NA,"HPAFII","HPAF-II","HPAF-II",NA,NA,"pancreas","pancreas","pancreas",NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","HPAFII","pancreas",NA,NA,NA,NA,"CVCL_0313","HPAFII_565_2019","HPAF-II","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-000094",NA,NA,NA,NA
+"676","HPB-ALL","Lymphoid",NA,"HPB-ALL",NA,NA,NA,NA,NA,NA,"HPB-ALL","HPB-ALL",NA,NA,"HPBALL",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1820","HPBALL_566_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000942",NA,NA,NA,NA
+"677","HRT-18","Bowel",NA,"HRT-18",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2514","HRT18_567_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-001091",NA,NA,NA,NA
+"678","HS-SY-2","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8719","HS-SY-26782021_",NA,NA,NA,NA,NA,"ACH-002085",NA,NA,NA,NA
+"679","HS-Sultan","Lymphoid",NA,NA,"HSSULTAN",NA,"HS-Sultan",NA,NA,NA,NA,NA,NA,NA,NA,"HS-Sultan",NA,NA,NA,NA,NA,"hematopoietic_and_lymphatic_system",NA,"Blood",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2516","HSSultan_616_2019",NA,"haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"680","HSC-1","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2807","HSC-16802021_",NA,NA,NA,NA,NA,"ACH-001523",NA,NA,NA,NA
+"681","HSC-2","Head and Neck","HSC-2","HSC-2",NA,NA,NA,"HSC2","HSC-2",NA,"HSC-2","HSC-2","HSC-2",NA,"HSC2","HSC-2","HSC-2",NA,"HSC2_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,NA,"UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,"upper_aerodigestive_tract","HSC2","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_1287","HSC2_619_2019","HSC-2","upper_aerodigestive_tract","Oral cavity squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000472",NA,NA,NA,NA
+"682","HSC-3","Head and Neck","HSC-3","HSC-3",NA,NA,NA,NA,"HSC-3",NA,"HSC-3","HSC-3","HSC-3",NA,"HSC3","HSC-3","HSC-3",NA,"HSC3_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,NA,NA,"Head & Neck","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,"upper_aerodigestive_tract","HSC3","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_1288","HSC3_620_2019","HSC-3","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000778",NA,NA,NA,NA
+"683","HSC-39","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"HSC-39","HSC-39",NA,NA,"HSC-39",NA,NA,NA,"HSC-39",NA,NA,NA,NA,NA,NA,NA,NA,"Stomach",NA,NA,NA,NA,"stomach",NA,NA,"stomach",NA,NA,NA,NA,NA,NA,"CVCL_A385","HSC39_621_2019","HSC-39","stomach","Signet ring cell gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-002141",NA,NA,NA,NA
+"684","HSC-4","Head and Neck","HSC-4","HSC-4",NA,NA,NA,NA,"HSC-4",NA,"HSC-4","HSC-4","HSC-4",NA,"HSC4","HSC-4","HSC-4",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,NA,NA,"Head & Neck","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,"upper_aerodigestive_tract","HSC4","upper_aerodigestive_tract",NA,NA,NA,NA,"CVCL_1289","HSC4_622_2019","HSC-4","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000546",NA,NA,NA,NA
+"685","HSC-5 [Human skin squamous cell carcinoma]","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0314","HSC-5 [Human skin squamous cell carcinoma]6852021_",NA,NA,NA,NA,NA,"ACH-001524",NA,NA,NA,NA
+"686","HSJD-DIPG-007","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU70","HSJD-DIPG-0076862021_",NA,NA,NA,NA,NA,"ACH-002348",NA,NA,NA,NA
+"687","HSKT-C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8234","HSKT-C6872021_",NA,NA,NA,NA,NA,"ACH-002038",NA,NA,NA,NA
+"688","HSOS1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HSOS16882021_",NA,NA,NA,NA,NA,"ACH-002069",NA,NA,NA,NA
+"689","HSQ-89","Head and Neck",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7674","HSQ-896892021_",NA,NA,NA,NA,NA,"ACH-002044",NA,NA,NA,NA
+"690","HSSCH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HSSCH26902021_",NA,NA,NA,NA,NA,"ACH-002066",NA,NA,NA,NA
+"691","HT","Lymphoid","HT","HT","HT",NA,"HT","HT",NA,NA,"HT","HT","HT",NA,"HT","HT","HT","HT",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE",NA,"haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Lymphoma",NA,"CVCL_1290","HT_624_2019","HT","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000914",NA,NA,NA,NA
+"692","HT-1080","Soft Tissue","HT-1080","HT-1080","HT1080",NA,"HT-1080","HT1080","HT-1080",NA,"HT-1080","HT-1080","HT-1080",NA,"HT1080","HT-1080","HT-1080",NA,"HT1080_SOFT_TISSUE","soft_tissue","soft_tissue","connective_tissue",NA,"Lung","SOFT_TISSUE","Miscellaneous","soft_tissue",NA,NA,NA,"soft_tissue","soft_tissue","Bone","soft_tissue",NA,NA,NA,NA,NA,"soft_tissue","CVCL_0317","HT1080_625_2019","HT-1080","soft_tissue","Fibrosarcoma","Cancer cell line",NA,"ACH-000054",NA,NA,NA,NA
+"693","HT-1197","Bladder/Urinary Tract","HT-1197","HT-1197","HT1197",NA,NA,NA,"HT-1197",NA,"HT-1197","HT-1197","HT-1197",NA,"HT1197",NA,"HT-1197",NA,NA,"urinary_tract","urinary_tract","bladder",NA,NA,NA,"Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","HT1197","urinary_tract",NA,NA,NA,NA,"CVCL_1291","HT1197_627_2019","HT-1197","urinary_tract","Recurrent bladder carcinoma","Cancer cell line",NA,"ACH-000547",NA,NA,NA,NA
+"694","HT-1376","Bladder/Urinary Tract","HT-1376","HT-1376","HT1376",NA,NA,"HT1376","HT-1376",NA,"HT-1376","HT-1376","HT-1376",NA,"HT1376",NA,"HT-1376",NA,"HT1376_URINARY_TRACT","urinary_tract","urinary_tract","bladder",NA,NA,"URINARY_TRACT","Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","HT1376","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_1292","HT1376_628_2019","HT-1376","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000724",NA,NA,NA,NA
+"695","HT-144","Skin","HT-144","HT-144",NA,NA,"HT-144",NA,"HT-144",NA,"HT-144","HT-144","HT-144",NA,"HT144","HT-144","HT-144",NA,"HT144_SKIN","skin","skin",NA,NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin",NA,"skin","HT144","skin",NA,NA,NA,"skin","CVCL_0318","HT144_629_2019","HT-144","skin","Melanoma","Cancer cell line",TRUE,"ACH-000322",NA,NA,NA,NA
+"696","HT-29","Bowel","HT-29","HT-29","HT29",NA,"HT-29","HT29","HT-29","HT-29","HT-29","HT-29","HT-29",NA,"HT29","HT-29","HT-29","HT29///CO.HT29","HT29_LARGE_INTESTINE","large_intestine","large_intestine","colon",NA,"Colon","LARGE_INTESTINE","Intestin","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","HT29","large_intestine",NA,NA,"Colon Cancer///Colon","colorectal","CVCL_0320","HT29_630_2019","HT-29","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000552",NA,NA,NA,NA
+"697","HT-3","Cervix","HT-3",NA,"HT3",NA,NA,NA,"HT-3","HT-3",NA,NA,"HT-3",NA,NA,"HT-3","HT-3",NA,NA,"cervix",NA,"cervix_uteri",NA,NA,NA,"Cervix",NA,"urogenital_system",NA,NA,"cervix",NA,"Cervix","cervix",NA,NA,NA,NA,NA,NA,"CVCL_1293","HT3_631_2019","HT-3","cervix","Cervical carcinoma","Cancer cell line",TRUE,"ACH-001525",NA,NA,NA,NA
+"698","HT-55","Bowel","HT55","HT55",NA,NA,"HT-55","HT55","HT55","HT55","HT55","HT55","HT55",NA,"HT55","HT-55","HT55",NA,"HT55_LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","HT55","large_intestine",NA,NA,NA,"colorectal","CVCL_1294","HT55_632_2019","HT55","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000926",NA,NA,NA,NA
+"699","HT115","Bowel",NA,"HT115",NA,NA,"HT-115","HT115","HT-115","HT-115","HT115","HT115","HT-115",NA,"HT115","HT-115","HT-115",NA,NA,NA,"large_intestine",NA,NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine",NA,NA,NA,NA,"large_intestine",NA,"large_intestine","HT115","large_intestine",NA,NA,NA,NA,"CVCL_2520","HT115_626_2019","HT-115","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000986",NA,NA,NA,NA
+"700","HT144SKINFV1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HT144SKINFV17002021_",NA,NA,NA,NA,NA,"ACH-002458",NA,NA,NA,NA
+"701","HT144SKINFV2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HT144SKINFV27012021_",NA,NA,NA,NA,NA,"ACH-002460",NA,NA,NA,NA
+"702","HT144SKINFV3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HT144SKINFV37022021_",NA,NA,NA,NA,NA,"ACH-002459",NA,NA,NA,NA
+"703","HT29p53RE22",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HT29p53RE22",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"HT29p53RE227032021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"704","HTC-C3","Thyroid","HTC-C3",NA,NA,NA,NA,NA,"HTC-C3","HTC-C3",NA,NA,"HTC-C3",NA,NA,NA,"HTC-C3",NA,NA,"thyroid",NA,NA,NA,NA,NA,"Thyroid",NA,"thyroid",NA,NA,"thyroid",NA,NA,"thyroid",NA,NA,NA,NA,NA,NA,"CVCL_1295","HTCC3_633_2019","HTC-C3","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",TRUE,"ACH-001350",NA,NA,NA,NA
+"705","HTK-","Bone",NA,"HTK-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2522","HTK_634_2019",NA,"haematopoietic_and_lymphoid_tissue","Osteosarcoma","Cancer cell line",NA,"ACH-001094",NA,NA,NA,NA
+"706","HTMMT","Uterus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8721","HTMMT7062021_",NA,NA,NA,NA,NA,"ACH-002046",NA,NA,NA,NA
+"707","HeLa","Cervix",NA,"HELA","HELA",NA,"HeLa",NA,"HeLa","HeLa",NA,NA,"HeLa",NA,"HELA","HeLa","HeLa",NA,NA,NA,NA,"cervix",NA,"Cervix",NA,"Cervix",NA,NA,NA,NA,"cervix",NA,NA,"cervix","HELA",NA,NA,NA,NA,NA,"CVCL_0030","HeLa_536_2019","HeLa","cervix","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,"ACH-001086",NA,NA,NA,NA
+"708","HeLaSF","Cervix","HeLaSF",NA,NA,NA,NA,NA,"HeLaSF",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cervix",NA,NA,NA,NA,NA,"Cervix",NA,NA,NA,NA,"cervix",NA,NA,"cervix",NA,NA,NA,NA,NA,NA,"CVCL_1278","HeLaSF_537_2019",NA,"cervix","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"709","Hep 3B2.1-7","Liver",NA,"Hep 3B2.1-7","HEP3B",NA,NA,NA,"Hep3B2-1-7",NA,"Hep_3B2-7","Hep_3B2.1-7","Hep_3B2_1-7///Hep3B2-1-7",NA,"HEP3B217","Hep 3B2.1-7","Hep 3B2_1-7",NA,"HEP3B217_LIVER",NA,"liver","liver",NA,NA,NA,"Liver","liver",NA,NA,NA,NA,"liver","Liver","liver","HEP3B217","liver",NA,NA,NA,"liver","CVCL_0326","Hep3B2.17_538_2019","Hep-3B2-1-7","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000625",NA,NA,NA,NA
+"710","Hep-G2","Liver",NA,"Hep G2","HEPG2",NA,"Hep G2","HEPG2",NA,NA,"Hep_G2","Hep_G2",NA,NA,"HEPG2","Hep G2",NA,NA,NA,NA,"liver","liver",NA,"Liver","LIVER",NA,"liver",NA,NA,NA,NA,"liver","Liver",NA,"HEPG2","liver",NA,NA,NA,NA,"CVCL_0027","HepG2_539_2019",NA,"liver","Hepatoblastoma","Cancer cell line",NA,"ACH-000739",NA,NA,NA,NA
+"711","Hep-G2/C3A","Liver","C3A","C3A","C3A",NA,"C3A",NA,"C3A","C3A",NA,NA,"C3A",NA,NA,"C3A","C3A",NA,NA,"liver","liver","liver",NA,"Liver",NA,"Liver",NA,"digestive_system",NA,NA,"liver",NA,"Liver","liver",NA,NA,NA,NA,NA,NA,"CVCL_1098","C3A_156_2019","C3A","liver","Hepatoblastoma","Cancer cell line",NA,"ACH-001021",NA,NA,NA,NA
+"712","Hs 172.T","Bladder/Urinary Tract",NA,"Hs 172.T",NA,NA,NA,NA,NA,NA,"Hs_172.T","Hs_172.T",NA,NA,NA,NA,NA,NA,NA,NA,"urinary_tract",NA,NA,NA,NA,NA,"urinary_tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0660","Hs172.T_568_2019",NA,"urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000088",NA,NA,NA,NA
+"713","Hs 229.T","Lung",NA,"Hs 229.T",NA,NA,NA,NA,NA,NA,"Hs_229.T","Hs_229.T",NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0698","Hs229.T_569_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000131",NA,NA,NA,NA
+"714","Hs 255.T","Bowel",NA,"Hs 255.T",NA,NA,"Hs 255.T",NA,NA,NA,"Hs_255.T","Hs_255.T",NA,NA,NA,"Hs 255.T",NA,NA,NA,NA,"large_intestine",NA,NA,"Colon",NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0707","Hs255.T_570_2019",NA,"large_intestine","Colorectal carcinoma","Cancer cell line",NA,"ACH-000199",NA,NA,NA,NA
+"715","Hs 274.T","Breast",NA,"Hs 274.T",NA,NA,NA,NA,NA,NA,"Hs_274.T",NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0711","Hs274.T_571_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-000134",NA,NA,NA,NA
+"716","Hs 281.T","Breast",NA,"Hs 281.T",NA,NA,NA,NA,NA,NA,"Hs_281.T","Hs_281.T",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0715","Hs281.T_572_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-000083",NA,NA,NA,NA
+"717","Hs 294T","Skin",NA,"Hs 294T",NA,NA,"Hs 294T",NA,NA,NA,"Hs_294T","Hs_294T",NA,NA,"HS294T","Hs 294T",NA,NA,"HS294T_SKIN",NA,"skin",NA,NA,"Skin",NA,NA,"skin",NA,NA,NA,NA,"skin","Skin",NA,"HS294T","skin",NA,NA,NA,"skin","CVCL_0331","Hs294T_573_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,"ACH-000014",NA,NA,NA,NA
+"718","Hs 343.T","Breast",NA,"Hs 343.T",NA,NA,NA,NA,NA,NA,"Hs_343.T","Hs_343.T",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0726","Hs343.T_574_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-000184",NA,NA,NA,NA
+"719","Hs 38.T","Ovary/Fallopian Tube",NA,NA,NA,NA,"Hs 38.T",NA,NA,NA,NA,NA,NA,NA,NA,"Hs 38.T",NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0735","Hs38.T_575_2019",NA,"ovary","Ovarian teratoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"720","Hs 445","Lymphoid",NA,NA,NA,NA,NA,NA,"Hs-445","Hs-445",NA,NA,"Hs-445",NA,NA,NA,"Hs-445",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0761","Hs445_613_2019","Hs-445","haematopoietic_and_lymphoid_tissue",NA,"Transformed cell line",NA,"ACH-002245",NA,NA,NA,NA
+"721","Hs 571.T","Ovary/Fallopian Tube",NA,"Hs 571.T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0802","Hs571.T_576_2019",NA,"ovary","Ovarian carcinoma","Cancer cell line",NA,"ACH-001092",NA,NA,NA,NA
+"722","Hs 578Bst","Other",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HS578BST",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0807","HS578BST_617_2019",NA,NA,NA,"Finite cell line",NA,NA,NA,NA,NA,NA
+"723","Hs 578T","Breast","Hs-578-T","Hs 578T",NA,"HS578T","Hs 578T",NA,"Hs-578-T",NA,"Hs_578T","Hs_578T","Hs-578-T","hs578t","HS578T","Hs 578T","Hs-578-T","HS 578T///BR.HS.578T",NA,"breast","breast",NA,"breast","Breast",NA,"breast","breast","breast","8-hs578t///HS578T","breast","breast","breast","Breast","breast",NA,NA,"HS578T///Hs578T","breast","Breast Cancer///Breast",NA,"CVCL_0332","Hs578T_614_2019","Hs-578-T","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000148",NA,NA,NA,NA
+"724","Hs 600.T","Skin",NA,"Hs 600.T",NA,NA,NA,NA,NA,NA,"Hs_600.T","Hs_600.T",NA,NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0814","Hs600.T_577_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000240",NA,NA,NA,NA
+"725","Hs 604.T","Lymphoid",NA,"Hs 604.T",NA,NA,NA,NA,NA,NA,"Hs_604.T",NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0816","Hs604.T_578_2019",NA,"haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-001093",NA,NA,NA,NA
+"726","Hs 606.T","Breast",NA,"Hs 606.T",NA,NA,NA,NA,NA,NA,"Hs_606.T","Hs_606.T",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0819","Hs606.T_579_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-000540",NA,NA,NA,NA
+"727","Hs 611.T","Lymphoid",NA,"Hs 611.T",NA,NA,NA,NA,NA,NA,"Hs_611.T","Hs_611.T",NA,NA,"HS611T",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0823","Hs611.T_580_2019",NA,"haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000069",NA,NA,NA,NA
+"728","Hs 616.T","Lymphoid",NA,"Hs 616.T",NA,NA,NA,NA,NA,NA,"Hs_616.T","Hs_616.T",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0825","Hs616.T_581_2019",NA,"haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000063",NA,NA,NA,NA
+"729","Hs 618.T","Lung",NA,"Hs 618.T",NA,NA,NA,NA,NA,NA,"Hs_618.T","Hs_618.T",NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0827","Hs618.T_582_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000539",NA,NA,NA,NA
+"730","Hs 633.T","Soft Tissue",NA,NA,NA,NA,NA,NA,"Hs-633T","Hs633T",NA,NA,"Hs-633T",NA,NA,NA,"Hs633T",NA,NA,NA,NA,NA,NA,NA,NA,"Misc",NA,NA,NA,NA,NA,NA,NA,"misc",NA,NA,NA,NA,NA,NA,"CVCL_0832","Hs633T_615_2019","Hs633T","misc","Fibrosarcoma","Cancer cell line",NA,"ACH-002246",NA,NA,NA,NA
+"731","Hs 675.T","Bowel",NA,"Hs 675.T",NA,NA,"Hs 675.T",NA,NA,NA,"Hs_675.T","Hs_675.T",NA,NA,NA,"Hs 675.T",NA,NA,NA,NA,"large_intestine",NA,NA,"Colon",NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0836","Hs675.T_583_2019",NA,"large_intestine","Colorectal carcinoma","Cancer cell line",NA,"ACH-000214",NA,NA,NA,NA
+"732","Hs 683","CNS/Brain",NA,"Hs 683",NA,NA,"Hs 683",NA,"Hs-683",NA,"Hs_683","Hs_683","Hs683///Hs-683",NA,"HS683","Hs 683","Hs683",NA,NA,NA,"central_nervous_system",NA,NA,"Brain",NA,"Brain","central_nervous_system",NA,NA,NA,NA,"central_nervous_system","Brain","central_nervous_system","HS683","central_nervous_system",NA,NA,NA,NA,"CVCL_0844","Hs683_584_2019","Hs683","central_nervous_system","Oligodendroglioma","Cancer cell line",NA,"ACH-000067",NA,NA,NA,NA
+"733","Hs 688(A).T","Skin",NA,"Hs 688(A).T",NA,NA,NA,NA,NA,NA,"Hs_688_A_.T","Hs_688_A_.T",NA,NA,"HS688AT",NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0846","Hs688(A).T_585_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000306",NA,NA,NA,NA
+"734","Hs 695T","Skin",NA,"Hs 695T",NA,NA,"Hs 69ST///Hs 695T",NA,NA,NA,"Hs_695T","Hs_695T",NA,NA,NA,"Hs 69ST///Hs 695T",NA,NA,NA,NA,"skin",NA,NA,"Skin",NA,NA,"skin",NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,"CVCL_0851","Hs69ST_588_2019",NA,"skin","Amelanotic melanoma","Cancer cell line",TRUE,"ACH-000799",NA,NA,NA,NA
+"735","Hs 698.T","Bowel",NA,"Hs 698.T",NA,NA,NA,NA,NA,NA,"Hs_698.T","Hs_698.T",NA,NA,NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0855","Hs698.T_587_2019",NA,"large_intestine","Colorectal carcinoma","Cancer cell line",TRUE,"ACH-000850",NA,NA,NA,NA
+"736","Hs 706.T","Bone",NA,"Hs 706.T",NA,NA,NA,NA,NA,NA,"Hs_706.T","Hs_706.T",NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0863","Hs706.T_589_2019",NA,"bone","Malignant giant cell tumor of bone","Cancer cell line",NA,"ACH-000071",NA,NA,NA,NA
+"737","Hs 729.T","Soft Tissue",NA,"Hs 729",NA,NA,NA,NA,NA,NA,"Hs_729","Hs_729",NA,NA,"HS729",NA,NA,NA,"HS729_SOFT_TISSUE",NA,"soft_tissue",NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,"soft_tissue",NA,NA,"HS729","soft_tissue",NA,NA,NA,"fibroblast","CVCL_0871","Hs729_590_2019",NA,"soft_tissue","Embryonal rhabdomyosarcoma","Cancer cell line",NA,"ACH-000133",NA,NA,NA,NA
+"738","Hs 737.T","Bone",NA,"Hs 737.T",NA,NA,NA,NA,NA,NA,"Hs_737.T","Hs_737.T",NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0878","Hs737.T_591_2019",NA,"bone","Malignant giant cell tumor of bone","Cancer cell line",NA,"ACH-000185",NA,NA,NA,NA
+"739","Hs 739.T","Breast",NA,"Hs 739.T",NA,NA,NA,NA,NA,NA,"Hs_739.T","Hs_739.T",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0882","Hs739.T_592_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-000413",NA,NA,NA,NA
+"740","Hs 742.T","Breast",NA,"Hs 742.T",NA,NA,NA,NA,NA,NA,"Hs_742.T","Hs_742.T",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0888","Hs742.T_593_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-000230",NA,NA,NA,NA
+"741","Hs 746.T","Esophagus/Stomach",NA,"Hs 746T","HS746T",NA,"Hs 746T",NA,"Hs746T",NA,"Hs_746T","Hs_746T","Hs746T///Hs-746T",NA,"HS746T","Hs 746T","Hs746T",NA,NA,NA,"stomach","stomach",NA,"Stomach",NA,"Stomach","stomach",NA,NA,NA,NA,"stomach","Stomach","stomach","HS746T","stomach",NA,NA,NA,NA,"CVCL_0333","Hs746T_594_2019","Hs746T","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000616",NA,NA,NA,NA
+"742","Hs 751.T","Lymphoid",NA,"Hs 751.T",NA,NA,NA,NA,NA,NA,"Hs_751.T",NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0891","Hs751.T_595_2019",NA,"haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000165",NA,NA,NA,NA
+"743","Hs 766T","Pancreas",NA,"Hs 766T",NA,NA,"Hs 766T",NA,"Hs-766T",NA,"Hs_766T","Hs_766T","Hs766T///Hs-766T",NA,"HS766T","Hs 766T","Hs766T",NA,"HS766T_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,"Pancreas","pancreas",NA,NA,NA,NA,"pancreas","Pancreas","pancreas","HS766T","pancreas",NA,NA,NA,"pancreas","CVCL_0334","Hs766T_596_2019","Hs766T","pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000178",NA,NA,NA,NA
+"744","Hs 819.T","Bone",NA,"Hs 819.T",NA,NA,NA,NA,NA,NA,"Hs_819.T","Hs_819.T",NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,"HS819T","bone",NA,NA,NA,NA,"CVCL_0928","Hs819.T_597_2019",NA,"bone","Chondrosarcoma","Cancer cell line",NA,"ACH-000224",NA,NA,NA,NA
+"745","Hs 821.T","Bone",NA,"Hs 821.T",NA,NA,NA,NA,NA,NA,"Hs_821.T","Hs_821.T",NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0932","Hs821.T_598_2019",NA,"bone","Malignant giant cell tumor of bone","Cancer cell line",NA,"ACH-000526",NA,NA,NA,NA
+"746","Hs 822.T","Bone",NA,"Hs 822.T",NA,NA,NA,NA,NA,NA,"Hs_822.T","Hs_822.T",NA,NA,"HS822T",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0933","Hs822.T_599_2019",NA,"bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000229",NA,NA,NA,NA
+"747","Hs 834.T","Skin",NA,"Hs 834.T",NA,NA,NA,NA,NA,NA,"Hs_834.T","Hs_834.T",NA,NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0938","Hs834.T_600_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,"ACH-000275",NA,NA,NA,NA
+"748","Hs 839.T","Skin",NA,"Hs 839.T",NA,NA,"Hs 839.T",NA,NA,NA,"Hs_839.T","Hs_839.T",NA,NA,"HS839T","Hs 839.T",NA,NA,NA,NA,"skin",NA,NA,"Skin",NA,NA,"skin",NA,NA,NA,NA,"skin",NA,NA,"HS839T","skin",NA,NA,NA,NA,"CVCL_0941","Hs839.T_601_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000180",NA,NA,NA,NA
+"749","Hs 840.T","Head and Neck",NA,"Hs 840.T",NA,NA,NA,NA,NA,NA,"Hs_840.T","Hs_840.T",NA,NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0942","Hs840.T_602_2019",NA,"upper_aerodigestive_tract","Squamous papilloma","Cancer cell line",NA,"ACH-000284",NA,NA,NA,NA
+"750","Hs 852.T","Skin",NA,"Hs 852.T",NA,NA,"Hs 852.T","HS852T",NA,NA,"Hs_852.T","Hs_852.T",NA,NA,"HS852T","Hs 852.T",NA,NA,"HS852T_SKIN",NA,"skin",NA,NA,"Skin","SKIN",NA,"skin",NA,NA,NA,NA,"skin","Skin",NA,NA,NA,NA,NA,NA,"skin","CVCL_0950","Hs852.T_603_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000274",NA,NA,NA,NA
+"751","Hs 860.T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0957","Hs 860.T7512021_",NA,NA,NA,NA,NA,"ACH-001712",NA,NA,NA,NA
+"752","Hs 863.T","Bone",NA,"Hs 863.T",NA,NA,NA,NA,NA,NA,"Hs_863.T","Hs_863.T",NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0959","Hs863.T_604_2019",NA,"bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000119",NA,NA,NA,NA
+"753","Hs 870.T","Bone",NA,"Hs 870.T",NA,NA,NA,NA,NA,NA,"Hs_870.T","Hs_870.T",NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0966","Hs870.T_605_2019",NA,"bone","Osteosarcoma","Cancer cell line",NA,"ACH-000340",NA,NA,NA,NA
+"754","Hs 888.Lu","Other",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HS888LU",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0977","HS888LU_618_2019",NA,NA,NA,"Finite cell line",NA,NA,NA,NA,NA,NA
+"755","Hs 888.T","Bone",NA,"Hs 888.T",NA,NA,NA,NA,NA,NA,"Hs_888.T","Hs_888.T",NA,NA,"HS888T",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,"bone",NA,NA,"HS888T","bone",NA,NA,NA,NA,"CVCL_0979","Hs888.T_606_2019",NA,"bone","Osteosarcoma","Cancer cell line",NA,"ACH-000154",NA,NA,NA,NA
+"756","Hs 895.T","Skin",NA,"Hs 895.T",NA,NA,"Hs 895.T",NA,NA,NA,"Hs_895.T","Hs_895.T",NA,NA,"HS895T","Hs 895.T",NA,NA,NA,NA,"skin",NA,NA,"Skin",NA,NA,"skin",NA,NA,NA,NA,"skin",NA,NA,"HS895T","skin",NA,NA,NA,NA,"CVCL_0993","Hs895.T_607_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000043",NA,NA,NA,NA
+"757","Hs 934.T","Skin",NA,"Hs 934.T",NA,NA,NA,NA,NA,NA,"Hs_934.T","Hs_934.T",NA,NA,"HS934T",NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,"skin",NA,NA,"HS934T","skin",NA,NA,NA,NA,"CVCL_1031","Hs934.T_608_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000194",NA,NA,NA,NA
+"758","Hs 936.T","Skin",NA,"Hs 936.T",NA,NA,"Hs 936.T","HS936T",NA,NA,"Hs_936.T","Hs_936.T",NA,NA,"HS936T","Hs 936.T",NA,NA,NA,NA,"skin",NA,NA,"Skin","SKIN",NA,"skin",NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1033","Hs936.T_609_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000801",NA,NA,NA,NA
+"759","Hs 939.T","Skin",NA,"Hs 939.T",NA,NA,NA,NA,NA,NA,"Hs_939.T","Hs_939.T","Hs939-T///Hs-939-T",NA,NA,NA,"Hs939-T",NA,"HS939T_SKIN",NA,"skin",NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,"skin","CVCL_1036","Hs939.T_610_2019","Hs939-T","skin","Melanoma","Cancer cell line",NA,"ACH-000814",NA,NA,NA,NA
+"760","Hs 940.T","Skin",NA,"Hs 940.T",NA,NA,"Hs 940.T",NA,"Hs-940-T",NA,"Hs_940.T","Hs_940.T","Hs940-T///Hs-940-T",NA,"HS940T","Hs 940.T","Hs940-T",NA,NA,NA,"skin",NA,NA,"Skin",NA,"Skin","skin",NA,NA,NA,NA,"skin",NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1038","Hs940.T_611_2019","Hs940-T","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000135",NA,NA,NA,NA
+"761","Hs 944.T","Skin",NA,"Hs 944.T",NA,NA,NA,"HS944T","Hs-944-T",NA,"Hs_944.T","Hs_944.T",NA,NA,"HS944T",NA,NA,NA,"HS944T_SKIN",NA,"skin",NA,NA,NA,"SKIN","Skin","skin",NA,NA,NA,NA,"skin",NA,"skin","HS944T","skin",NA,NA,NA,"skin","CVCL_1040","Hs944.T_612_2019",NA,"skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000632",NA,NA,NA,NA
+"762","HuCC-T1","Biliary Tract","HuCCT1","HuCCT1",NA,NA,NA,NA,"HuCCT1",NA,"HuCCT1","HuCCT1","HuCCT1",NA,"HUCCT1","HuCCT1","HuCCT1",NA,"HUCCT1_BILIARY_TRACT","biliary_tract","biliary_tract",NA,NA,NA,NA,"Liver","biliary_tract","digestive_system",NA,NA,"biliary_tract","biliary_tract","Liver","biliary_tract",NA,NA,NA,NA,NA,"bile_duct","CVCL_0324","HuCCT1_635_2019","HuCCT1","biliary_tract","Intrahepatic cholangiocarcinoma","Cancer cell line",TRUE,"ACH-000976",NA,NA,NA,NA
+"763","HuG1-N","Esophagus/Stomach",NA,"HuG1-N",NA,NA,NA,NA,NA,NA,"HuG1-N","HuG1-N",NA,NA,"HUG1N",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4846","HuG1N_636_2019",NA,"stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-000239",NA,NA,NA,NA
+"764","HuH-1","Liver",NA,"huH-1",NA,NA,"huH-1",NA,"huH-1",NA,"huH-1","huH-1","huH-1",NA,"HUH1","huH-1","huH-1",NA,NA,NA,"liver",NA,NA,"Liver",NA,"Liver","liver",NA,NA,NA,NA,"liver","Liver","liver","HUH1","liver",NA,NA,NA,NA,"CVCL_2956","huH1_637_2019","huH-1","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000475",NA,NA,NA,NA
+"765","HuH-28","Biliary Tract","HuH-28","HuH28",NA,NA,NA,NA,NA,NA,"HuH28",NA,NA,NA,"HUH28",NA,NA,NA,"HUH28_BILIARY_TRACT","biliary_tract","biliary_tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,"biliary_tract","biliary_tract",NA,NA,"HUH28","biliary_tract",NA,NA,NA,"bile_duct","CVCL_2955","HuH28_638_2019",NA,"biliary_tract","Intrahepatic cholangiocarcinoma","Cancer cell line",NA,"ACH-000808",NA,NA,NA,NA
+"766","HuH-6","Liver",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HUH6_LIVER",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"liver","CVCL_4381","HuH-67662021_",NA,NA,NA,NA,NA,"ACH-000671",NA,NA,NA,NA
+"767","HuH-6 Clone 5","Liver","HUH-6-clone5","HuH-6",NA,NA,NA,NA,NA,"HUH-6-clone5","HuH-6","HuH-6","HUH-6-clone5",NA,"HUH6",NA,NA,NA,NA,"liver","liver",NA,NA,NA,NA,NA,"liver",NA,NA,NA,"liver","liver",NA,"liver",NA,NA,NA,NA,NA,NA,"CVCL_1296","HUH6clone5_639_2019",NA,"liver","Hepatoblastoma","Cancer cell line",NA,"ACH-002395",NA,NA,NA,NA
+"768","HuNS1","Lymphoid","HuNS1","HuNS1","HUNS1",NA,NA,NA,NA,NA,"HuNS1","HuNS1",NA,NA,"HUNS1",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2526","HuNS1_641_2019",NA,"haematopoietic_and_lymphoid_tissue",NA,"Transformed cell line",NA,"ACH-000829",NA,NA,NA,NA
+"769","HuO-3N1","Bone","HuO-3N1",NA,NA,NA,NA,NA,"HuO-3N1","HuO-3N1",NA,NA,"HuO-3N1",NA,NA,NA,"HuO-3N1",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1297","HuO3N1_642_2019","HuO-3N1","bone","Osteosarcoma","Cancer cell line",NA,"ACH-002142",NA,NA,NA,NA
+"770","HuO9","Bone","HuO9",NA,NA,NA,NA,NA,"HuO9","HuO9",NA,NA,"HuO9",NA,NA,NA,"HuO9",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1298","HuO9_643_2019","HuO9","bone","Osteosarcoma","Cancer cell line",NA,"ACH-001526",NA,NA,NA,NA
+"771","HuP-T3","Pancreas","HuP-T3","HUP-T3",NA,NA,"HUP-T3",NA,"HuP-T3",NA,"HUP-T3","HUP-T3","HuP-T3",NA,"HUPT3","HUP-T3","HuP-T3",NA,"HUPT3_PANCREAS","pancreas","pancreas",NA,NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","HUPT3","pancreas",NA,NA,NA,"pancreas","CVCL_1299","HuPT3_644_2019","HuP-T3","pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000118",NA,NA,NA,NA
+"772","HuP-T4","Pancreas","HuP-T4","HUP-T4","HUPT4",NA,"HUP-T4","HUPT4","HuP-T4",NA,"HUP-T4","HUP-T4","HuP-T4",NA,"HUPT4","HUP-T4","HuP-T4",NA,NA,"pancreas","pancreas","pancreas",NA,"Pancreas","PANCREAS","Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","HUPT4","pancreas",NA,NA,NA,NA,"CVCL_1300","HuPT4_645_2019","HuP-T4","pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000213",NA,NA,NA,NA
+"773","HuT 102","Lymphoid",NA,"HuT 102",NA,NA,NA,NA,NA,NA,"HuT_102","HuT_102",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3526","HuT102_646_2019",NA,"haematopoietic_and_lymphoid_tissue","Mycosis fungoides and Sezary syndrome","Cancer cell line",NA,"ACH-000612",NA,NA,NA,NA
+"774","HuT 78","Lymphoid",NA,"HuT 78","HUT78",NA,NA,NA,NA,NA,"HuT_78","HuT_78",NA,NA,"HUT78",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0337","HuT78_647_2019",NA,"haematopoietic_and_lymphoid_tissue","Mycosis fungoides and Sezary syndrome","Cancer cell line",NA,"ACH-000509",NA,NA,NA,NA
+"775","HuTu 80","Esophagus/Stomach","HUTU-80","HuTu 80",NA,NA,NA,NA,"HUTU-80",NA,"HuTu_80","HuTu_80","HUTU-80///HuTu-80",NA,NA,NA,"HUTU-80",NA,NA,"small_intestine","small_intestine",NA,NA,NA,NA,"Intestine","small_intestine",NA,NA,NA,"small_intestine",NA,NA,"small_intestine",NA,NA,NA,NA,NA,NA,"CVCL_1301","HUTU80_648_2019","HUTU-80","small_intestine","Duodenal adenocarcinoma","Cancer cell line",NA,"ACH-000538",NA,NA,NA,NA
+"776","Huh-7","Liver","HuH-7","HuH-7",NA,NA,"HuH-7",NA,"HuH-7",NA,"HuH-7","HuH-7","HuH-7",NA,NA,"HUH-7","HuH-7",NA,"HUH7_LIVER","liver","liver",NA,NA,"Liver",NA,"Liver","liver","digestive_system",NA,NA,"liver",NA,"Liver","liver",NA,NA,NA,NA,NA,"liver","CVCL_0336","HuH7_640_2019","HuH-7","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000480",NA,NA,NA,NA
+"777","I 9.2","Lymphoid",NA,NA,NA,NA,NA,NA,"I-9-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3725","I92_649_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,NA,NA,NA,NA,NA
+"778","IA-LM","Lung","IA-LM","IA-LM",NA,NA,NA,NA,"IA-LM",NA,"IA-LM","IA-LM","IA-LM",NA,"IALM",NA,"IA-LM",NA,"IALM_LUNG","lung","lung",NA,NA,NA,NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung","IALM","lung",NA,NA,NA,"lung","CVCL_1302","IALM_650_2019","IA-LM","lung","Large cell lung carcinoma","Cancer cell line",NA,"ACH-000672",NA,NA,NA,NA
+"779","ICC10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC107792021_",NA,NA,NA,NA,NA,"ACH-001834",NA,NA,NA,NA
+"780","ICC106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC1067802021_",NA,NA,NA,NA,NA,"ACH-001835",NA,NA,NA,NA
+"781","ICC108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC1087812021_",NA,NA,NA,NA,NA,"ACH-001836",NA,NA,NA,NA
+"782","ICC12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC127822021_",NA,NA,NA,NA,NA,"ACH-001838",NA,NA,NA,NA
+"783","ICC137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC1377832021_",NA,NA,NA,NA,NA,"ACH-001839",NA,NA,NA,NA
+"784","ICC15",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC157842021_",NA,NA,NA,NA,NA,"ACH-001841",NA,NA,NA,NA
+"785","ICC2","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VV27","ICC27852021_",NA,NA,NA,NA,NA,"ACH-001842",NA,NA,NA,NA
+"786","ICC3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC37862021_",NA,NA,NA,NA,NA,"ACH-001843",NA,NA,NA,NA
+"787","ICC4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC47872021_",NA,NA,NA,NA,NA,"ACH-001844",NA,NA,NA,NA
+"788","ICC5","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VV28","ICC57882021_",NA,NA,NA,NA,NA,"ACH-001845",NA,NA,NA,NA
+"789","ICC6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC67892021_",NA,NA,NA,NA,NA,"ACH-001846",NA,NA,NA,NA
+"790","ICC8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC87902021_",NA,NA,NA,NA,NA,"ACH-001848",NA,NA,NA,NA
+"791","ICC9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICC97912021_",NA,NA,NA,NA,NA,"ACH-001849",NA,NA,NA,NA
+"792","IGR-1","Skin","IGR-1","IGR-1",NA,NA,NA,NA,"IGR-1",NA,"IGR-1","IGR-1","IGR-1",NA,"IGR1","IGR-1","IGR-1",NA,"IGR1_SKIN","skin","skin",NA,NA,NA,NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin","IGR1","skin",NA,NA,NA,"skin","CVCL_1303","IGR1_651_2019","IGR-1","skin","Melanoma","Cancer cell line",TRUE,"ACH-000882",NA,NA,NA,NA
+"793","IGR-37","Skin",NA,"IGR-37",NA,NA,"IGR-37",NA,"IGR-37",NA,"IGR-37","IGR-37","IGR-37",NA,"IGR37","IGR-37","IGR-37",NA,"IGR37_SKIN",NA,"skin",NA,NA,"Skin",NA,"Skin","skin",NA,NA,NA,"skin","skin","Skin","skin","IGR37","skin",NA,NA,NA,"skin","CVCL_2075","IGR37_652_2019","IGR-37","skin","Melanoma","Cancer cell line",TRUE,"ACH-000650",NA,NA,NA,NA
+"794","IGR-39","Skin",NA,"IGR-39",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IGR39","IGR-39",NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,"skin","skin","Skin",NA,"IGR39","skin",NA,NA,NA,NA,"CVCL_2076","IGR39_653_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000550",NA,NA,NA,NA
+"795","IGROV-1","Ovary/Fallopian Tube","IGROV-1","IGROV1","IGROV1",NA,"IGROV-1","IGROV1","IGROV-1",NA,"IGROV1","IGROV1","IGROV-1",NA,"IGROV1","IGROV-1","IGROV-1","IGROV1///OV.IGROV1","IGROV1_OVARY","ovary","ovary","ovary",NA,"Ovary","OVARY","Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary","Ovary","ovary","IGROV1","ovary","IGROV1","ovary","Ovarian Cancer///Ovarian","ovary","CVCL_1304","IGROV1_654_2019","IGROV-1","ovary","Ovarian endometrioid adenocarcinoma","Cancer cell line",NA,"ACH-000966",NA,NA,NA,NA
+"796","IHH-4","Thyroid",NA,NA,NA,NA,NA,NA,"IHH-4","IHH-4",NA,NA,"IHH-4",NA,NA,NA,"IHH-4",NA,NA,NA,NA,NA,NA,NA,NA,"Thyroid",NA,NA,NA,NA,"thyroid",NA,NA,"thyroid",NA,NA,NA,NA,NA,NA,"CVCL_2960","IHH4_655_2019","IHH-4","thyroid","Thyroid gland papillary carcinoma","Cancer cell line",TRUE,"ACH-001528",NA,NA,NA,NA
+"797","IM-9","Lymphoid","IM-9",NA,NA,NA,NA,NA,"IM-9","IM-9",NA,NA,"IM-9",NA,NA,NA,"IM-9",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1305","IM9_656_2019","IM-9","haematopoietic_and_lymphoid_tissue",NA,"Transformed cell line",NA,"ACH-002247",NA,NA,NA,NA
+"798","IM95","Esophagus/Stomach",NA,"IM95",NA,NA,"IM-95",NA,"IM-95",NA,"IM95","IM95","IM-95",NA,"IM95","IM-95","IM-95",NA,"IM95_STOMACH",NA,"stomach",NA,NA,"Stomach",NA,"Stomach","stomach",NA,NA,NA,"stomach","stomach",NA,"stomach","IM95","stomach",NA,NA,NA,"gastric","CVCL_2961","IM95_657_2019","IM-95","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000919",NA,NA,NA,NA
+"799","IM95m","Esophagus/Stomach",NA,NA,NA,NA,"IM-95m",NA,NA,NA,NA,NA,NA,NA,NA,"IM-95m",NA,NA,NA,NA,NA,NA,NA,"Stomach",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2962","IM95m_658_2019",NA,"stomach","Gastric adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"800","IMR-32","Peripheral Nervous System",NA,"IMR-32",NA,NA,"IMR-32",NA,NA,NA,"IMR-32","IMR-32",NA,NA,"IMR32","IMR-32",NA,NA,NA,NA,"autonomic_ganglia",NA,NA,"Brain",NA,NA,"autonomic_ganglia",NA,NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain",NA,"IMR32","autonomic_ganglia",NA,NA,NA,NA,"CVCL_0346","IMR32_659_2019",NA,"autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-000310",NA,NA,NA,NA
+"801","IMR-5","Peripheral Nervous System","IMR-5",NA,NA,NA,NA,NA,"IMR-5","IMR-5",NA,NA,"IMR-5",NA,NA,NA,"IMR-5",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1306","IMR5_660_2019","IMR-5","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002248",NA,NA,NA,NA
+"802","INA-6","Lymphoid",NA,"INA-6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5209","INA-68022021_",NA,"haematopoietic_and_lymphoid_tissue",NA,"Cancer cell line",NA,"ACH-000512",NA,NA,NA,NA
+"803","IOMM-Lee","CNS/Brain",NA,"IOMM-Lee",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5779","IOMMLee_661_2019",NA,"central_nervous_system","Meningioma","Cancer cell line",NA,"ACH-000629",NA,NA,NA,NA
+"804","IOSE-364","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,"IOSE-364-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_5540","IOSE364_662_2019",NA,"ovary",NA,"Transformed cell line",NA,NA,NA,NA,NA,NA
+"805","IOSE-397","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,"IOSE-397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_5541","IOSE397_663_2019",NA,"ovary",NA,"Transformed cell line",NA,NA,NA,NA,NA,NA
+"806","IOSE-523","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,"IOSE-523-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_E234","IOSE523_664_2019",NA,"ovary",NA,"Transformed cell line",NA,NA,NA,NA,NA,NA
+"807","IOSE-75-16SV40","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,"IOSE-75-16SV40",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_EQ74","IOSE7516SV40_665_2019",NA,"ovary",NA,"Transformed cell line",NA,NA,NA,NA,NA,NA
+"808","IPC-298","Skin","IPC-298","IPC-298",NA,NA,"IPC-298",NA,"IPC-298",NA,"IPC-298","IPC-298","IPC-298",NA,"IPC298","IPC-298","IPC-298",NA,"IPC298_SKIN","skin","skin",NA,NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin","IPC298","skin",NA,NA,NA,"skin","CVCL_1307","IPC298_666_2019","IPC-298","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000915","IPC-298","Skin",NA,NA
+"809","IST-MEL1","Skin","IST-MEL1",NA,NA,NA,NA,NA,"IST-MEL1","IST-MEL1",NA,NA,"IST-MEL1",NA,NA,NA,"IST-MEL1",NA,NA,"skin",NA,NA,NA,NA,NA,"Skin",NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1308","ISTMEL1_669_2019","IST-MEL1","skin","Melanoma","Cancer cell line",NA,"ACH-002143","IST-MEL1","Skin",NA,NA
+"810","IST-Mes1","Pleura","IST-MES1","IST-MES1",NA,NA,NA,NA,"IST-MES1","IST-MES1","IST-MES1","IST-MES1","IST-MES1",NA,"ISTMES1",NA,"IST-MES1",NA,"ISTMES1_PLEURA","pleura","pleura",NA,NA,NA,NA,"Lung","pleura","lung",NA,NA,"pleura","pleura",NA,"pleura","ISTMES1","pleura",NA,NA,NA,"mesothelioma","CVCL_1311","ISTMES1_670_2019","IST-MES1","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000569",NA,NA,NA,NA
+"811","IST-Mes2","Pleura",NA,"IST-MES2",NA,NA,NA,NA,NA,NA,"IST-MES2","IST-MES2",NA,NA,NA,NA,NA,NA,"ISTMES2_PLEURA",NA,"pleura",NA,NA,NA,NA,NA,"pleura",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mesothelioma","CVCL_1312","ISTMES2_671_2019",NA,"pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000331",NA,NA,NA,NA
+"812","IST-SL1","Lung","IST-SL1",NA,NA,NA,NA,NA,"IST-SL1","IST-SL1",NA,NA,"IST-SL1",NA,NA,NA,"IST-SL1",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1313","ISTSL1_672_2019","IST-SL1","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002144",NA,NA,NA,NA
+"813","IST-SL2","Lung","IST-SL2",NA,NA,NA,NA,NA,"IST-SL2","IST-SL2",NA,NA,"IST-SL2",NA,NA,NA,"IST-SL2",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1314","ISTSL2_673_2019","IST-SL2","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002145",NA,NA,NA,NA
+"814","ITO-II","Testis","ITO-II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"testis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"testis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ITO-II8142021_",NA,"testis","Testicular embryonal carcinoma",NA,NA,NA,NA,NA,NA,NA
+"815","Ishikawa","Uterus",NA,NA,NA,NA,NA,NA,"Ishikawa",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uterus",NA,NA,NA,NA,"endometrium",NA,NA,"endometrium",NA,NA,NA,NA,NA,NA,"CVCL_2529","Ishikawa_667_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"816","Ishikawa (Heraklio) 02 ER-","Uterus",NA,"Ishikawa (Heraklio) 02 ER-",NA,NA,NA,"ISHIKAWAHERAKLIO02ER","Ishikawa_Heraklio_02ER-",NA,"Ishikawa__Heraklio__02_ER-","Ishikawa__Heraklio__02_ER-","Ishikawa_Heraklio_02ER-",NA,"ISHIKAWAHERAKLIO02ER",NA,NA,NA,"ISHIKAWAHERAKLIO02ER_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"ENDOMETRIUM","Heraklio_02ER-_Uterus","endometrium",NA,NA,NA,NA,"endometrium",NA,"endometrium","ISHIKAWAHERAKLIO02ER",NA,NA,NA,NA,"uterus","CVCL_6543","Ishikawa(Heraklio)02ER_668_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000961",NA,NA,NA,NA
+"817","J.RT3-T3.5","Lymphoid","J-RT3-T3-5",NA,"JRT3T35",NA,NA,NA,"J-RT3-T3-5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1316","JRT3T35_674_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,NA,NA,NA,NA,NA
+"818","J82","Bladder/Urinary Tract","J82","J82","J82",NA,NA,NA,"J82",NA,"J82","J82","J82",NA,"J82",NA,"J82",NA,"J82_URINARY_TRACT","urinary_tract","urinary_tract","bladder",NA,NA,NA,"Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","J82","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_0359","J82_675_2019","J82","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000396",NA,NA,NA,NA
+"819","J82-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5H97","J82-EBV8192021_",NA,NA,NA,NA,NA,"ACH-002379",NA,NA,NA,NA
+"820","JAR","Gestational","JAR",NA,"JAR",NA,NA,NA,"JAR","JAR",NA,NA,"JAR",NA,NA,NA,"JAR",NA,NA,"testis",NA,"placenta",NA,NA,NA,"Miscellaneous",NA,"urogenital_system",NA,NA,"testis",NA,NA,"testis",NA,NA,NA,NA,NA,NA,"CVCL_0360","JAR_676_2019","JAR","testis","Gestational choriocarcinoma","Cancer cell line",NA,"ACH-001529",NA,NA,NA,NA
+"821","JCA-1","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JCA-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prostate Cancer",NA,"CVCL_4015","JCA-18212021_",NA,NA,"Bladder carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"822","JEG-3","Other","JEG-3",NA,"JEG3",NA,NA,NA,"JEG-3","JEG-3",NA,NA,"JEG-3",NA,NA,NA,"JEG-3",NA,NA,"placenta",NA,"placenta",NA,NA,NA,"Uterus",NA,"urogenital_system",NA,NA,"placenta",NA,NA,"placenta",NA,NA,NA,NA,NA,NA,"CVCL_0363","JEG3_677_2019","JEG-3","placenta","Gestational choriocarcinoma","Cancer cell line",TRUE,"ACH-001530",NA,NA,NA,NA
+"823","JH-EsoAd1","Esophagus/Stomach",NA,"JH-EsoAd1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,NA,NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8098","JHEsoAd1_679_2019",NA,"oesophagus","Barrett adenocarcinoma","Cancer cell line",NA,"ACH-000216",NA,NA,NA,NA
+"824","JHC7","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_L154","JHC78242021_",NA,NA,NA,NA,NA,"ACH-001955",NA,NA,NA,NA
+"825","JHH-1","Liver",NA,"JHH-1",NA,NA,"JHH-1",NA,"JHH-1",NA,"JHH-1","JHH-1","JHH-1",NA,"JHH1","JHH-1","JHH-1",NA,"JHH1_LIVER",NA,"liver",NA,NA,"Liver",NA,"Liver","liver",NA,NA,NA,"liver","liver",NA,"liver","JHH1","liver",NA,NA,NA,"liver","CVCL_2785","JHH1_680_2019","JHH-1","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000620",NA,NA,NA,NA
+"826","JHH-2","Liver",NA,"JHH-2",NA,NA,"JHH-2",NA,"JHH-2",NA,"JHH-2","JHH-2","JHH-2",NA,"JHH2","JHH-2","JHH-2",NA,NA,NA,"liver",NA,NA,"Liver",NA,"Liver","liver",NA,NA,NA,"liver","liver","Liver","liver","JHH2","liver",NA,NA,NA,NA,"CVCL_2786","JHH2_681_2019","JHH-2","liver","Hepatocellular carcinoma","Cancer cell line",TRUE,"ACH-000577",NA,NA,NA,NA
+"827","JHH-4","Liver",NA,"JHH-4",NA,NA,"JHH-4",NA,"JHH-4",NA,"JHH-4","JHH-4","JHH-4",NA,"JHH4","JHH-4","JHH-4",NA,"JHH4_LIVER",NA,"liver",NA,NA,"Liver",NA,"Liver","liver",NA,NA,NA,"liver","liver","Liver","liver","JHH4","liver",NA,NA,NA,"liver","CVCL_2787","JHH4_682_2019","JHH-4","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000476",NA,NA,NA,NA
+"828","JHH-5","Liver",NA,"JHH-5",NA,NA,"JHH-5",NA,NA,NA,"JHH-5","JHH-5",NA,NA,"JHH5","JHH-5",NA,NA,"JHH5_LIVER",NA,"liver",NA,NA,"Liver",NA,NA,"liver",NA,NA,NA,"liver","liver","Liver",NA,"JHH5","liver",NA,NA,NA,"liver","CVCL_0364","JHH5_683_2019",NA,"liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000734",NA,NA,NA,NA
+"829","JHH-6","Liver",NA,"JHH-6",NA,NA,NA,"JHH6","JHH-6",NA,"JHH-6","JHH-6","JHH-6",NA,"JHH6",NA,"JHH-6",NA,"JHH6_LIVER",NA,"liver",NA,NA,NA,"LIVER","Liver","liver",NA,NA,NA,"liver","liver",NA,"liver","JHH6","liver",NA,NA,NA,"liver","CVCL_2788","JHH6_684_2019","JHH-6","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000217",NA,NA,NA,NA
+"830","JHH-7","Liver",NA,"JHH-7",NA,NA,"JHH-7",NA,"JHH-7",NA,"JHH-7","JHH-7","JHH-7",NA,NA,"JHH-7","JHH-7",NA,"JHH7_LIVER",NA,"liver",NA,NA,"Liver",NA,"Liver","liver",NA,NA,NA,"liver",NA,"Liver","liver",NA,NA,NA,NA,NA,"liver","CVCL_2805","JHH7_685_2019","JHH-7","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000848",NA,NA,NA,NA
+"831","JHOC-5","Ovary/Fallopian Tube",NA,"JHOC-5",NA,NA,NA,"JHOC5",NA,NA,"JHOC-5","JHOC-5",NA,NA,"JHOC5",NA,NA,NA,"JHOC5_OVARY",NA,"ovary",NA,NA,NA,"OVARY",NA,"ovary",NA,NA,NA,NA,"ovary",NA,NA,"JHOC5","ovary",NA,NA,NA,"ovary","CVCL_4640","JHOC5_686_2019",NA,"ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",NA,"ACH-000324",NA,NA,NA,NA
+"832","JHOM-1","Ovary/Fallopian Tube",NA,"JHOM-1",NA,NA,NA,"JHOM1",NA,NA,"JHOM-1","JHOM-1",NA,NA,"JHOM1",NA,NA,NA,"JHOM1_OVARY",NA,"ovary",NA,NA,NA,"OVARY",NA,"ovary",NA,NA,NA,"ovary","ovary",NA,NA,"JHOM1","ovary",NA,NA,NA,"ovary","CVCL_4644","JHOM1_687_2019",NA,"ovary","Ovarian mucinous adenocarcinoma","Cancer cell line",NA,"ACH-000237",NA,NA,NA,NA
+"833","JHOM-2B","Ovary/Fallopian Tube",NA,"JHOM-2B",NA,NA,NA,NA,NA,NA,"JHOM-2B","JHOM-2B",NA,NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4645","JHOM2B_688_2019",NA,"ovary","Ovarian mucinous adenocarcinoma","Cancer cell line",NA,"ACH-000333",NA,NA,NA,NA
+"834","JHOS-2","Ovary/Fallopian Tube",NA,"JHOS-2",NA,NA,NA,NA,"JHOS-2",NA,"JHOS-2","JHOS-2","JHOS-2",NA,"JHOS2",NA,"JHOS-2",NA,"JHOS2_OVARY",NA,"ovary",NA,NA,NA,NA,"Ovary","ovary",NA,NA,NA,NA,"ovary",NA,"ovary","JHOS2","ovary","JHOS2","ovary",NA,"ovary","CVCL_4647","JHOS2_689_2019","JHOS-2","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000132",NA,NA,NA,NA
+"835","JHOS-3","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,"JHOS-3","JHOS-3",NA,NA,"JHOS-3",NA,NA,NA,"JHOS-3",NA,NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_4648","JHOS3_690_2019","JHOS-3","ovary","Ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-002146",NA,NA,NA,NA
+"836","JHOS-4","Ovary/Fallopian Tube",NA,"JHOS-4",NA,NA,NA,"JHOS4","JHOS-4",NA,"JHOS-4","JHOS-4","JHOS-4",NA,NA,NA,"JHOS-4",NA,NA,NA,"ovary",NA,NA,NA,"OVARY","Ovary","ovary",NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_4649","JHOS4_691_2019","JHOS-4","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000584",NA,NA,NA,NA
+"837","JHU-011","Head and Neck",NA,NA,NA,NA,NA,NA,"JHU-011","JHU-011",NA,NA,"JHU-011",NA,NA,NA,"JHU-011",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,"CVCL_5986","JHU011_692_2019","JHU-011","head_and_neck","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-002249",NA,NA,NA,NA
+"838","JHU-013","Head and Neck",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5988","JHU013_693_2019",NA,"upper_aerodigestive_tract","Hypopharyngeal squamous cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"839","JHU-019","Prostate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5989","JHU019_694_2019",NA,"prostate","Prostate carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"840","JHU-022","Head and Neck",NA,NA,NA,NA,NA,NA,"JHU-022","JHU-022",NA,NA,"JHU-022",NA,NA,NA,"JHU-022",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,"CVCL_5991","JHU022_695_2019","JHU-022","head_and_neck","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-002250",NA,NA,NA,NA
+"841","JHU-028","Lung",NA,NA,NA,NA,NA,NA,"JHU-028",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_5992","JHU028_696_2019",NA,"upper_aerodigestive_tract","Lung adenocarcinoma","Cancer cell line",NA,"ACH-002337",NA,NA,NA,NA
+"842","JHU-029","Head and Neck",NA,NA,NA,NA,NA,NA,"JHU-029","JHU-029",NA,NA,"JHU-029",NA,NA,NA,"JHU-029",NA,NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_5993","JHU029_697_2019","JHU-029","upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-002251",NA,NA,NA,NA
+"843","JHUEM-1","Uterus",NA,"JHUEM-1",NA,NA,NA,NA,NA,NA,"JHUEM-1","JHUEM-1",NA,NA,"JHUEM1",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,NA,"endometrium",NA,NA,"JHUEM1","endometrium",NA,NA,NA,NA,"CVCL_4655","JHUEM1_698_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000928",NA,NA,NA,NA
+"844","JHUEM-2","Uterus",NA,"JHUEM-2",NA,NA,NA,"JHUEM2",NA,NA,"JHUEM-2","JHUEM-2",NA,NA,"JHUEM2",NA,NA,NA,"JHUEM2_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"ENDOMETRIUM",NA,"endometrium",NA,NA,NA,NA,"endometrium",NA,NA,"JHUEM2","endometrium",NA,NA,NA,"uterus","CVCL_4656","JHUEM2_699_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000909",NA,NA,NA,NA
+"845","JHUEM-3","Uterus",NA,"JHUEM-3",NA,NA,NA,NA,NA,NA,"JHUEM-3","JHUEM-3",NA,NA,"JHUEM3",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,"endometrium","endometrium",NA,NA,"JHUEM3","endometrium",NA,NA,NA,NA,"CVCL_4657","JHUEM3_700_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000173",NA,NA,NA,NA
+"846","JHUEM-7","Uterus",NA,"JHUEM-7",NA,NA,NA,NA,NA,NA,"JHUEM-7","JHUEM-7",NA,NA,"JHUEM7",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,NA,"endometrium",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4658","JHUEM7_701_2019",NA,"endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000993",NA,NA,NA,NA
+"847","JIMT-1","Breast",NA,"JIMT-1",NA,"JIMT1","JIMT-1",NA,"JIMT-1",NA,"JIMT-1","JIMT-1","JIMT-1","jimt1","JIMT1","JIMT-1","JIMT-1",NA,"JIMT1_BREAST",NA,"breast",NA,"breast","Breast",NA,"breast","breast",NA,"JIMT-1","breast","breast","breast",NA,"breast",NA,NA,NA,NA,NA,"breast","CVCL_2077","JIMT1_702_2019","JIMT-1","breast","Ductal breast carcinoma","Cancer cell line",TRUE,"ACH-000711",NA,NA,NA,NA
+"848","JJ012","Bone",NA,NA,NA,NA,"JJ012",NA,NA,NA,NA,NA,NA,NA,NA,"JJ012",NA,NA,NA,NA,NA,NA,NA,"Cartilage",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_D605","JJ012_705_2019",NA,"cartilage","Primary central chondrosarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"849","JJN-3","Lymphoid",NA,"JJN-3",NA,NA,"JJN-3",NA,"JJN-3",NA,"JJN-3","JJN-3","JJN-3",NA,"JJN3","JJN-3","JJN-3",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2078","JJN3_706_2019","JJN-3","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000653",NA,NA,NA,NA
+"850","JK-1","Myeloid",NA,"JK-1",NA,NA,NA,NA,NA,NA,"JK-1","JK-1",NA,NA,"JK1",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2079","JK1_707_2019",NA,"haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000241",NA,NA,NA,NA
+"851","JL-1","Pleura",NA,"JL-1",NA,NA,"JL-1",NA,NA,NA,"JL-1","JL-1",NA,NA,"JL1","JL-1",NA,NA,NA,NA,"pleura",NA,NA,"Pleura",NA,NA,"pleura",NA,NA,NA,NA,"pleura",NA,NA,"JL1","pleura",NA,NA,NA,NA,"CVCL_2080","JL1_708_2019",NA,"pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000645",NA,NA,NA,NA
+"852","JM-1","Lymphoid",NA,"JM1","JM1",NA,NA,NA,"JM1",NA,"JM1","JM1","JM1",NA,"JM1",NA,"JM1",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3532","JM1_709_2019","JM1","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000151",NA,NA,NA,NA
+"853","JMSU-1","Bladder/Urinary Tract",NA,"JMSU-1",NA,NA,NA,NA,NA,NA,"JMSU-1","JMSU-1",NA,NA,"JMSU1",NA,NA,NA,"JMSU1_URINARY_TRACT",NA,"urinary_tract",NA,NA,NA,NA,NA,"urinary_tract",NA,NA,NA,"urinary_tract","urinary_tract",NA,NA,"JMSU1","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_2081","JMSU1_710_2019",NA,"urinary_tract","Bladder carcinoma","Cancer cell line",TRUE,"ACH-000753",NA,NA,NA,NA
+"854","JMU-RTK-2","Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4W58","JMU-RTK-28542021_",NA,NA,NA,NA,NA,"ACH-001532",NA,NA,NA,NA
+"855","JR","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_RT33","JR8552021_",NA,NA,NA,NA,NA,"ACH-001096",NA,NA,NA,NA
+"856","JSC-1","Lymphoid",NA,NA,NA,NA,NA,NA,"JSC-1","JSC-1",NA,NA,"JSC-1",NA,NA,NA,"JSC-1",NA,NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3728","JSC1_711_2019","JSC-1","haematopoietic_and_lymphoid_tissue","Primary effusion lymphoma","Cancer cell line",NA,"ACH-002253",NA,NA,NA,NA
+"857","JURL-MK1","Myeloid",NA,"JURL-MK1",NA,NA,NA,NA,"JURL-MK1",NA,"JURL-MK1","JURL-MK1","JURL-MK1",NA,"JURLMK1",NA,"JURL-MK1",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2086","JURLMK1_714_2019","JURL-MK1","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000326",NA,NA,NA,NA
+"858","JVM-2","Lymphoid","JVM-2","JVM-2",NA,NA,NA,NA,"JVM-2",NA,"JVM-2","JVM-2","JVM-2",NA,"JVM2","JVM-2","JVM-2",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1319","JVM2_715_2019","JVM-2","haematopoietic_and_lymphoid_tissue","Mantle cell lymphoma","Transformed cell line",NA,"ACH-000106",NA,NA,NA,NA
+"859","JVM-3","Lymphoid","JVM-3","JVM-3","JVM3",NA,NA,NA,"JVM-3",NA,"JVM-3","JVM-3","JVM-3",NA,"JVM3",NA,"JVM-3",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1320","JVM3_716_2019","JVM-3","haematopoietic_and_lymphoid_tissue","B-cell prolymphocytic leukemia","Transformed cell line",NA,"ACH-000346",NA,NA,NA,NA
+"860","JeKo-1","Lymphoid",NA,"JeKo-1",NA,NA,"JEKO-1",NA,"JEKO-1",NA,"JeKo-1","JeKo-1","JEKO-1",NA,"JEKO1","JeKo-1","JEKO-1",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1865","JeKo1_678_2019","JEKO-1","haematopoietic_and_lymphoid_tissue","Mantle cell lymphoma","Cancer cell line",NA,"ACH-000357",NA,NA,NA,NA
+"861","Jiyoye","Lymphoid","JiyoyeP-2003",NA,"JIYOYE",NA,"Jiyoye",NA,"JiyoyeP-2003","JiyoyeP-2003",NA,NA,"JiyoyeP-2003",NA,NA,"Jiyoye","JiyoyeP-2003",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,"Blood",NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1317","Jiyoye_703_2019","JiyoyeP-2003","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-002252",NA,NA,NA,NA
+"862","JoPaca-1","Pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_S507","JoPaca-18622021_",NA,NA,NA,NA,NA,"ACH-001353",NA,NA,NA,NA
+"863","Jurkat","Lymphoid",NA,NA,NA,NA,NA,NA,"JURKAT",NA,NA,NA,NA,NA,"JURKAT",NA,"Jurkat",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0065","JURKAT_712_2019","Jurkat","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000995",NA,NA,NA,NA
+"864","Jurkat E6.1","Lymphoid",NA,"JURKAT",NA,NA,"Jurkat, Clone E6-1",NA,NA,NA,"JURKAT","JURKAT","Jurkat",NA,NA,"Jurkat, Clone E6-1",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0367","Jurkat,CloneE61_713_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,NA,NA,NA,NA,NA
+"865","K-562","Myeloid","K-562","K-562","K562",NA,"K-562",NA,"K-562",NA,"K-562","K-562","K-562",NA,"K562","K-562","K-562","K-562///LE.K.562",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,"K562","blood","Leukemia",NA,"CVCL_0004","K562_717_2019","K-562","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000551",NA,NA,NA,NA
+"866","K029AX","Skin",NA,"K029AX",NA,NA,NA,NA,NA,NA,"K029AX","K029AX",NA,NA,"K029AX",NA,NA,NA,"K029AX_SKIN",NA,"skin",NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,"skin",NA,NA,"K029AX","skin",NA,NA,NA,"skin","CVCL_8784","K029AX_718_2019",NA,"skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000404",NA,NA,NA,NA
+"867","K1","Thyroid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2537","K1_720_2019",NA,"thyroid","Thyroid gland papillary carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"868","K19","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_W796","K19_721_2019",NA,"skin","Cutaneous melanoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"869","K2 [Human melanoma]","Skin",NA,NA,NA,NA,NA,NA,"K2","K2",NA,NA,"K2",NA,NA,NA,"K2",NA,NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,"thyroid",NA,NA,"thyroid",NA,NA,NA,NA,NA,NA,"CVCL_AT85","K2_722_2019","K2","thyroid","Melanoma","Cancer cell line",NA,"ACH-002147",NA,NA,NA,NA
+"870","K4 [Human melanoma]","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_AT86","K4_723_2019",NA,"skin","Melanoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"871","K5","Thyroid","K5",NA,NA,NA,NA,NA,"K5","K5",NA,NA,"K5",NA,NA,NA,"K5",NA,NA,"thyroid",NA,NA,NA,NA,NA,"thyroid",NA,"thyroid",NA,NA,"thyroid",NA,NA,"thyroid",NA,NA,NA,NA,NA,NA,"CVCL_1322","K5_724_2019","K5","thyroid","Thyroid gland papillary carcinoma","Cancer cell line",NA,"ACH-002148",NA,NA,NA,NA
+"872","KALS-1","CNS/Brain","KALS-1","KALS-1",NA,NA,NA,NA,"KALS-1",NA,"KALS-1","KALS-1","KALS-1",NA,"KALS1","KALS-1","KALS-1",NA,"KALS1_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","KALS1","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1323","KALS1_726_2019","KALS-1","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000231",NA,NA,NA,NA
+"873","KATO III","Esophagus/Stomach","KATOIII","KATO III","KATOIII",NA,"KATO III",NA,"KATOIII",NA,"KATO_III","KATO_III","KATOIII",NA,"KATOIII","KATO III","KATOIII",NA,NA,"stomach","stomach","stomach",NA,"Stomach",NA,"Stomach","stomach",NA,NA,NA,"stomach","stomach",NA,"stomach","KATOIII","stomach",NA,NA,NA,NA,"CVCL_0371","KATOIII_737_2019","KATOIII","stomach","Down syndrome","Cancer cell line",TRUE,"ACH-000793",NA,NA,NA,NA
+"874","KCI-MOH1","Pancreas",NA,"KCI-MOH1",NA,NA,"KCI-MOH1",NA,NA,NA,NA,NA,NA,NA,NA,"KCI-MOH1",NA,NA,NA,NA,"pancreas",NA,NA,"Pancreas",NA,NA,NA,NA,NA,NA,NA,NA,"Pancreas",NA,NA,NA,NA,NA,NA,NA,"CVCL_2090","KCIMOH1_738_2019",NA,"pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-001098",NA,NA,NA,NA
+"875","KCL-22","Myeloid",NA,"KCL-22",NA,NA,NA,NA,"KCL-22",NA,"KCL-22","KCL-22","KCL-22",NA,"KCL22",NA,"KCL-22",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2091","KCL22_739_2019","KCL-22","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000983",NA,NA,NA,NA
+"876","KD [Human abdomen rhabdoid tumor]","Other",NA,"KD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_U757","KD [Human abdomen rhabdoid tumor]8762021_",NA,"soft_tissue",NA,"Cancer cell line",NA,"ACH-001099",NA,NA,NA,NA
+"877","KE-37","Lymphoid","KE-37","KE-37",NA,NA,NA,NA,"KE-37",NA,"KE-37","KE-37","KE-37",NA,"KE37",NA,"KE-37",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1327","KE37_740_2019","KE-37","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000101",NA,NA,NA,NA
+"878","KE-39","Esophagus/Stomach",NA,"KE-39",NA,NA,NA,NA,NA,NA,"KE-39","KE-39",NA,NA,"KE39","KE-39",NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,"stomach","Stomach",NA,"KE39","stomach",NA,NA,NA,NA,"CVCL_3385","KE39_741_2019",NA,"stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000507",NA,NA,NA,NA
+"879","KE-97","Lymphoid",NA,"KE-97",NA,NA,NA,"KE97",NA,NA,"KE-97","KE-97",NA,NA,"KE97","KE-97",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"HEMATOPOIETIC_AND_LYMPHOID_TISSUE",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","Stomach",NA,NA,NA,NA,NA,NA,NA,"CVCL_3386","KE97_742_2019",NA,"haematopoietic_and_lymphoid_tissue",NA,"Transformed cell line",NA,"ACH-000167",NA,NA,NA,NA
+"880","KG-1","Myeloid","KG-1","KG-1","KG1",NA,"KG-1",NA,"KG-1",NA,"KG-1","KG-1","KG-1",NA,NA,"KG-1","KG-1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,"KG1","blood",NA,NA,"CVCL_0374","KG1_744_2019","KG-1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000386",NA,NA,NA,NA
+"881","KG-1-C","CNS/Brain",NA,"KG-1-C",NA,NA,NA,NA,NA,NA,"KG-1-C","KG-1-C",NA,NA,"KG1C",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_2971","KG1C_745_2019",NA,"central_nervous_system","Oligodendroglioma","Cancer cell line",NA,"ACH-000126",NA,NA,NA,NA
+"882","KGN","Ovary/Fallopian Tube","KGN",NA,NA,NA,NA,NA,"KGN","KGN",NA,NA,"KGN",NA,NA,NA,"KGN",NA,NA,"ovary",NA,NA,NA,NA,NA,"Ovary",NA,"urogenital_system",NA,NA,"ovary",NA,NA,"ovary",NA,NA,"KGN","ovary",NA,NA,"CVCL_0375","KGN_746_2019","KGN","ovary","Ovarian granulosa cell tumor","Cancer cell line",NA,"ACH-002149",NA,NA,NA,NA
+"883","KHM-1B","Lymphoid",NA,"KHM-1B",NA,NA,"KHM-1B",NA,NA,NA,"KHM-1B","KHM-1B",NA,NA,"KHM1B","KHM-1B",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood",NA,NA,NA,NA,NA,NA,NA,"CVCL_2972","KHM1B_747_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000564",NA,NA,NA,NA
+"884","KHOS-240S","Bone",NA,NA,"KHOS240S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sarcoma",NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KHOS-240S8842021_",NA,"bone","Osteosarcoma",NA,NA,NA,NA,NA,NA,NA
+"885","KHYG-1","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2976","KHYG-18852021_",NA,NA,NA,NA,NA,"ACH-001100",NA,NA,NA,NA
+"886","KINGS-1","CNS/Brain","KINGS-1",NA,NA,NA,NA,NA,"KINGS-1","KINGS-1",NA,NA,"KINGS-1",NA,NA,"KINGS-1","KINGS-1",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system",NA,"Brain","central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1328","KINGS1_749_2019","KINGS-1","central_nervous_system","Anaplastic astrocytoma","Cancer cell line",NA,"ACH-002257",NA,NA,NA,NA
+"887","KKU-100","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3996","KKU-1008872021_",NA,NA,NA,NA,NA,"ACH-001536",NA,NA,NA,NA
+"888","KKU-213A","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M261","KKU-213A8882021_",NA,NA,NA,NA,NA,"ACH-001538",NA,NA,NA,NA
+"889","KLE","Uterus","KLE","KLE","KLE",NA,"KLE","KLE","KLE",NA,"KLE","KLE","KLE",NA,"KLE","KLE","KLE",NA,NA,"endometrium","endometrium","uterus",NA,"Uterus","ENDOMETRIUM","Uterus","endometrium","urogenital_system",NA,NA,"endometrium","endometrium","Uterus","endometrium","KLE","endometrium",NA,NA,NA,NA,"CVCL_1329","KLE_750_2019","KLE","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000293",NA,NA,NA,NA
+"890","KLM-1","Pancreas",NA,"KLM-1",NA,NA,"KLM-1",NA,NA,NA,NA,NA,NA,NA,NA,"KLM-1",NA,NA,NA,NA,"pancreas",NA,NA,"Pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5146","KLM1_751_2019",NA,"pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-001101",NA,NA,NA,NA
+"891","KM-H2","Lymphoid","KM-H2","KM-H2",NA,NA,NA,NA,"KM-H2",NA,"KM-H2","KM-H2","KM-H2",NA,"KMH2",NA,"KM-H2",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1330","KMH2_752_2019","KM-H2","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000815",NA,NA,NA,NA
+"892","KM12","Bowel","KM12","KM12","KM12",NA,"KM-12","KM12","KM12",NA,"KM12","KM12","KM12",NA,"KM12","KM-12","KM12","KM12///CO.KM12",NA,"large_intestine","large_intestine","colon",NA,"Colon","LARGE_INTESTINE","large_intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine",NA,NA,NA,NA,"Colon Cancer///Colon",NA,"CVCL_1331","KM12_753_2019","KM12","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000969",NA,NA,NA,NA
+"893","KM20L2","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KM20L2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,"CVCL_D889","KM20L28932021_",NA,NA,"Colon adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"894","KMBC-2","Bladder/Urinary Tract",NA,"KMBC-2",NA,NA,NA,"KMBC2",NA,NA,"KMBC-2","KMBC-2",NA,NA,"KMBC2",NA,NA,NA,"KMBC2_URINARY_TRACT",NA,"urinary_tract",NA,NA,NA,"URINARY_TRACT",NA,"urinary_tract",NA,NA,NA,NA,"urinary_tract",NA,NA,"KMBC2","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_2977","KMBC2_754_2019",NA,"urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000862",NA,NA,NA,NA
+"895","KMCH-1","Liver",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7970","KMCH-18952021_",NA,NA,NA,NA,NA,"ACH-001853",NA,NA,NA,NA
+"896","KMH-2","Thyroid",NA,NA,NA,NA,NA,NA,"KMH-2","KMH-2",NA,NA,"KMH-2",NA,NA,NA,"KMH-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thyroid",NA,NA,"thyroid",NA,NA,NA,NA,NA,NA,"CVCL_S641","KMH2_755_2019","KMH-2","thyroid","Thyroid gland undifferentiated (anaplastic) carcinoma","Cancer cell line",NA,"ACH-002397",NA,NA,NA,NA
+"897","KML-1","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2979","KML-18972021_",NA,NA,NA,NA,NA,"ACH-001539",NA,NA,NA,NA
+"898","KMLS-1","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2980","KMLS-18982021_",NA,NA,NA,NA,NA,"ACH-001540",NA,NA,NA,NA
+"899","KMM-1","Lymphoid",NA,"KMM-1",NA,NA,"KMM-1",NA,NA,NA,"KMM-1","KMM-1",NA,NA,"KMM1","KMM-1",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood",NA,NA,NA,NA,NA,NA,NA,"CVCL_2981","KMM1_756_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000889",NA,NA,NA,NA
+"900","KMOE-2","Myeloid","KMOE-2",NA,NA,NA,NA,NA,"KMOE-2","KMOE-2",NA,NA,"KMOE-2",NA,NA,NA,"KMOE-2",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1332","KMOE2_757_2019","KMOE-2","haematopoietic_and_lymphoid_tissue","Erythroleukemia","Cancer cell line",NA,"ACH-002258",NA,NA,NA,NA
+"901","KMRC-1","Kidney",NA,"KMRC-1",NA,NA,NA,NA,"KMRC-1",NA,"KMRC-1","KMRC-1","KMRC-1",NA,"KMRC1","KMRC-1","KMRC-1",NA,"KMRC1_KIDNEY",NA,"kidney",NA,NA,NA,NA,"Kidney","kidney",NA,NA,NA,"kidney","kidney","Kidney","kidney","KMRC1","kidney",NA,NA,NA,"kidney","CVCL_2983","KMRC1_758_2019","KMRC-1","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000684",NA,NA,NA,NA
+"902","KMRC-2","Kidney",NA,"KMRC-2",NA,NA,NA,NA,NA,NA,"KMRC-2","KMRC-2",NA,NA,"KMRC2",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,"kidney",NA,NA,"KMRC2","kidney",NA,NA,NA,NA,"CVCL_2984","KMRC2_759_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000709",NA,NA,NA,NA
+"903","KMRC-20","Kidney",NA,"KMRC-20",NA,NA,NA,NA,"KMRC-20",NA,"KMRC-20","KMRC-20","KMRC-20",NA,"KMRC20","KMRC-20","KMRC-20",NA,"KMRC20_KIDNEY",NA,"kidney",NA,NA,NA,NA,"Kidney","kidney",NA,NA,NA,"kidney","kidney",NA,"kidney",NA,NA,NA,NA,NA,"kidney","CVCL_2986","KMRC20_760_2019","KMRC-20","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000250",NA,NA,NA,NA
+"904","KMRC-3","Kidney",NA,"KMRC-3",NA,NA,NA,NA,NA,NA,"KMRC-3","KMRC-3",NA,NA,"KMRC3",NA,NA,NA,"KMRC3_KIDNEY",NA,"kidney",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,"kidney",NA,NA,"KMRC3","kidney",NA,NA,NA,"kidney","CVCL_2985","KMRC3_761_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000313",NA,NA,NA,NA
+"905","KMS-11","Lymphoid",NA,"KMS-11",NA,NA,"KMS-11","KMS11","KMS-11",NA,"KMS-11","KMS-11","KMS-11",NA,"KMS11","KMS-11","KMS-11",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","pleural effusion","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2989","KMS11_762_2019","KMS-11","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000714",NA,NA,NA,NA
+"906","KMS-12-BM","Lymphoid","KMS-12-BM","KMS-12-BM",NA,NA,"KMS-12-BM",NA,"KMS-12-BM",NA,"KMS-12-BM","KMS-12-BM","KMS-12-BM",NA,"KMS12BM","KMS-12-BM","KMS-12-BM",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1334","KMS12BM_763_2019","KMS-12-BM","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000380",NA,NA,NA,NA
+"907","KMS-12-PE","Lymphoid","KMS-12-PE",NA,NA,NA,"KMS-12-PE",NA,NA,NA,NA,NA,NA,NA,NA,"KMS-12-PE",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"Bone Marrow",NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"Bone Marrow",NA,NA,NA,NA,NA,NA,NA,"CVCL_1333","KMS12PE_764_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"908","KMS-18","Lymphoid",NA,"KMS-18",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KMS18",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A637","KMS18_765_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000658",NA,NA,NA,NA
+"909","KMS-20","Lymphoid",NA,"KMS-20",NA,NA,NA,NA,NA,NA,"KMS-20","KMS-20",NA,NA,"KMS20",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2990","KMS20_766_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000426",NA,NA,NA,NA
+"910","KMS-21-BM","Other",NA,"KMS-21BM",NA,NA,"KMS-21BM",NA,NA,NA,"KMS-21BM","KMS-21BM",NA,NA,"KMS21BM","KMS-21BM",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2991","KMS21BM_767_2019",NA,"haematopoietic_and_lymphoid_tissue",NA,"Undefined cell line type",NA,"ACH-000598",NA,NA,NA,NA
+"911","KMS-26","Lymphoid",NA,"KMS-26",NA,NA,"KMS-26",NA,NA,NA,"KMS-26","KMS-26",NA,NA,"KMS26","KMS-26",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood",NA,NA,NA,NA,NA,NA,NA,"CVCL_2992","KMS26_768_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000588",NA,NA,NA,NA
+"912","KMS-27","Lymphoid",NA,"KMS-27",NA,NA,"KMS-27",NA,NA,NA,"KMS-27","KMS-27",NA,NA,"KMS27","KMS-27",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2993","KMS27_769_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000576",NA,NA,NA,NA
+"913","KMS-28BM","Lymphoid",NA,"KMS-28BM",NA,NA,"KMS-28BM",NA,NA,NA,"KMS-28BM","KMS-28BM",NA,NA,"KMS28BM","KMS-28BM",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2994","KMS28BM_770_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000419",NA,NA,NA,NA
+"914","KMS-28PE","Lymphoid",NA,NA,NA,NA,"KMS-28PE",NA,NA,NA,NA,NA,NA,NA,NA,"KMS-28PE",NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2995","KMS28PE_771_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-001541",NA,NA,NA,NA
+"915","KMS-34","Lymphoid",NA,"KMS-34",NA,NA,"KMS-34",NA,NA,NA,"KMS-34","KMS-34",NA,NA,"KMS34","KMS-34",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood",NA,NA,NA,NA,NA,NA,NA,"CVCL_2996","KMS34_772_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000541",NA,NA,NA,NA
+"916","KNS-42","CNS/Brain","KNS-42","KNS-42",NA,NA,NA,NA,"KNS-42",NA,"KNS-42","KNS-42","KNS-42",NA,"KNS42",NA,"KNS-42",NA,"KNS42_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","KNS42","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_0378","KNS42_773_2019","KNS-42","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000622",NA,NA,NA,NA
+"917","KNS-60","CNS/Brain",NA,"KNS-60",NA,NA,NA,NA,NA,NA,"KNS-60","KNS-60",NA,NA,"KNS60",NA,NA,NA,"KNS60_CENTRAL_NERVOUS_SYSTEM",NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system",NA,NA,"KNS60","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_2798","KNS60_774_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000445",NA,NA,NA,NA
+"918","KNS-62","Lung","KNS-62","KNS-62",NA,NA,"KNS-62","KNS62","KNS-62","KNS-62","KNS-62","KNS-62","KNS-62",NA,"KNS62","KNS-62","KNS-62",NA,"KNS62_LUNG","lung","lung",NA,NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung","Lung","lung","KNS62","lung",NA,NA,NA,"lung","CVCL_1335","KNS62_775_2019","KNS-62","lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000858",NA,NA,NA,NA
+"919","KNS-81","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KNS81",NA,NA,NA,"KNS81_CENTRAL_NERVOUS_SYSTEM",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,"KNS81","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_2799","KNS81_777_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000479",NA,NA,NA,NA
+"920","KNS-81-FD","CNS/Brain","KNS-81-FD","KNS-81",NA,NA,NA,NA,"KNS-81-FD","KNS-81-FD","KNS-81","KNS-81","KNS-81-FD",NA,NA,"KNS-81","KNS-81-FD",NA,NA,"central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system",NA,"Brain","central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1336","KNS81FD_776_2019","KNS-81-FD","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002259",NA,NA,NA,NA
+"921","KO52","Myeloid","K052","KO52",NA,NA,NA,NA,"K052","KO52",NA,NA,"KO52",NA,"KO52",NA,"KO52",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1321","K052_719_2019","KO52","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000498",NA,NA,NA,NA
+"922","KON","Head and Neck",NA,NA,NA,NA,NA,NA,"KON","KON",NA,NA,"KON",NA,NA,"KON","KON",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_3001","KON_778_2019","KON","upper_aerodigestive_tract","Floor of mouth squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001542",NA,NA,NA,NA
+"923","KOPN-8","Lymphoid",NA,"KOPN-8",NA,NA,NA,NA,"KOPN-8",NA,"KOPN-8","KOPN-8","KOPN-8",NA,NA,NA,"KOPN-8",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1866","KOPN8_779_2019","KOPN-8","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-001106",NA,NA,NA,NA
+"924","KOSC-2","Head and Neck","KOSC-2",NA,NA,NA,NA,NA,"KOSC-2","KOSC-2",NA,NA,"KOSC-2",NA,NA,NA,"KOSC-2",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"Head & Neck",NA,"aero_digestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1337","KOSC2_780_2019","KOSC-2","upper_aerodigestive_tract","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-002260///ACH-001543",NA,NA,NA,NA
+"925","KP-1N","Pancreas",NA,"KP-1N",NA,NA,NA,NA,"KP-1N","KP-1N",NA,NA,"KP-1N",NA,NA,NA,"KP-1N",NA,NA,NA,"pancreas",NA,NA,NA,NA,"Pancreas",NA,NA,NA,NA,"pancreas",NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,"CVCL_3002","KP1N_781_2019","KP-1N","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-001107",NA,NA,NA,NA
+"926","KP-1NL","Pancreas",NA,"KP-1NL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3003","KP1NL_782_2019",NA,"pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-001108",NA,NA,NA,NA
+"927","KP-2","Pancreas",NA,"KP-2",NA,NA,"KP-2",NA,"KP-2",NA,"KP-2","KP-2","KP-2",NA,"KP2","KP-2","KP-2",NA,"KP2_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,"pancreas","pancreas",NA,NA,NA,"pancreas","pancreas",NA,"pancreas","KP2","pancreas",NA,NA,NA,"pancreas","CVCL_3004","KP2_783_2019","KP-2","pancreas","Pancreatic carcinoma","Cancer cell line",NA,"ACH-000281",NA,NA,NA,NA
+"928","KP-3","Pancreas",NA,"KP-3",NA,NA,"KP-3","KP3","KP-3",NA,"KP-3","KP-3","KP-3",NA,"KP3","KP-3","KP-3",NA,"KP3_PANCREAS",NA,"pancreas",NA,NA,"Pancreas","PANCREAS","Pancreas","pancreas",NA,NA,NA,"pancreas","pancreas","Pancreas","pancreas","KP3","pancreas",NA,NA,NA,"pancreas","CVCL_3005","KP3_784_2019","KP-3","pancreas","Pancreatic adenosquamous carcinoma","Cancer cell line",TRUE,"ACH-000108",NA,NA,NA,NA
+"929","KP-4","Pancreas","KP-4","KP4",NA,NA,"KP4",NA,"KP-4",NA,"KP4","KP4","KP-4",NA,"KP4","KP4","KP-4",NA,"KP4_PANCREAS","pancreas","pancreas",NA,NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas",NA,NA,NA,NA,NA,"pancreas","CVCL_1338","KP4_785_2019","KP-4","pancreas","Pancreatic carcinoma","Cancer cell line",TRUE,"ACH-000265",NA,NA,NA,NA
+"930","KP-MRT-RY","Kidney",NA,"KPMRTRY",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7051","KP-MRT-RY9302021_",NA,"soft_tissue",NA,"Cancer cell line",NA,"ACH-001109",NA,NA,NA,NA
+"931","KP-N-RT-BM-1","Peripheral Nervous System","KP-N-RT-BM-1","KP-N-RT-BM-1",NA,NA,NA,NA,NA,NA,"KP-N-RT-BM-1","KP-N-RT-BM-1","KP-N-RT-BM-1",NA,NA,NA,"KP-N-RT-BM-1",NA,NA,"autonomic_ganglia","autonomic_ganglia",NA,NA,NA,NA,NA,"autonomic_ganglia","nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1339","KPNRTBM1_786_2019","KP-N-RT-BM-1","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000345",NA,NA,NA,NA
+"932","KP-N-SI9s","Peripheral Nervous System","KP-N-S19s","KP-N-SI9s",NA,NA,NA,NA,NA,NA,"KP-N-SI9s","KP-N-SI9s",NA,NA,"KPNSI9S","KP-N-SI9s",NA,NA,NA,"autonomic_ganglia","autonomic_ganglia",NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain",NA,"KPNSI9S","autonomic_ganglia",NA,NA,NA,NA,"CVCL_1340","KPNS19s_787_2019",NA,"autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-000446",NA,NA,NA,NA
+"933","KP-N-YN","Peripheral Nervous System","KP-N-YN","KP-N-YN",NA,NA,NA,NA,"KP-N-YN",NA,"KP-N-YN","KP-N-YN","KP-N-YN",NA,"KPNYN","KP-N-YN","KP-N-YN",NA,NA,"autonomic_ganglia","autonomic_ganglia",NA,NA,NA,NA,"autonomic_ganglia","autonomic_ganglia","nervous_system",NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1341","KPNYN_788_2019","KP-N-YN","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000227",NA,NA,NA,NA
+"934","KP-N-YS","Peripheral Nervous System","KP-N-YS",NA,NA,NA,NA,NA,NA,"KP-N-YS",NA,NA,"KP-N-YS",NA,NA,NA,"KP-N-YS",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1342","KPNYS_789_2019","KP-N-YS","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002261",NA,NA,NA,NA
+"935","KPD","Bone",NA,NA,NA,NA,NA,NA,NA,"KPD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_B412","KPD9352021_",NA,"bone","Osteosarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"936","KPL-1","Breast",NA,"KPL-1","KPL1",NA,"KPL-1",NA,NA,NA,"KPL-1","KPL-1",NA,"kpl1","KPL1","KPL-1",NA,NA,NA,NA,"breast","breast",NA,"Breast",NA,NA,"breast",NA,"15-kpl1///KPL1///KPL-1","breast","breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2094","KPL1_790_2019",NA,"breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000028",NA,NA,NA,NA
+"937","KPL-4","Breast",NA,NA,NA,NA,"KPL-4",NA,NA,NA,NA,NA,NA,NA,NA,"KPL-4",NA,NA,NA,NA,NA,NA,NA,"Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5310","KPL4_791_2019",NA,"breast","Inflammatory breast carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"938","KRIJ","Other",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KRIJ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KRIJ_792_2019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"939","KS-1 [Human glioblastoma]","CNS/Brain","KS-1","KS-1",NA,NA,NA,NA,"KS-1",NA,"KS-1","KS-1","KS-1",NA,NA,NA,"KS-1",NA,NA,"central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1343","KS1_793_2019","KS-1","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000631",NA,NA,NA,NA
+"940","KTCTL-13","Kidney",NA,NA,NA,NA,NA,NA,"RCC-ER","RCC-ER",NA,NA,"RCC-ER",NA,NA,NA,"RCC-ER",NA,NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_5870","RCCER_1288_2019","RCC-ER","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002188",NA,NA,NA,NA
+"941","KTCTL-140","Kidney",NA,NA,NA,NA,NA,NA,"RCC-JF","RCC-JF",NA,NA,"RCC-JF",NA,NA,NA,"RCC-JF",NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_5879","RCCJF_1290_2019","RCC-JF","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002190",NA,NA,NA,NA
+"942","KTCTL-195","Kidney",NA,NA,NA,NA,NA,NA,"RCC-JW","RCC-JW",NA,NA,"RCC-JW",NA,NA,NA,"RCC-JW",NA,NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_5880","RCCJW_1291_2019","RCC-JW","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002191",NA,NA,NA,NA
+"943","KTCTL-1M","Kidney",NA,NA,NA,NA,NA,NA,"RCC-MF","RCC-MF",NA,NA,"RCC-MF",NA,NA,NA,"RCC-MF",NA,NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_5884","RCCMF_1292_2019","RCC-MF","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002192",NA,NA,NA,NA
+"944","KTCTL-21","Kidney",NA,NA,NA,NA,NA,NA,"RCC-AB","RCC-AB",NA,NA,"RCC-AB",NA,NA,NA,"RCC-AB",NA,NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_5868","RCCAB_1287_2019","RCC-AB","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002187",NA,NA,NA,NA
+"945","KTCTL-26A","Kidney",NA,NA,NA,NA,NA,NA,"RCC-FG2","RCC-FG2",NA,NA,"RCC-FG2",NA,NA,NA,"RCC-FG2",NA,NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_5873","RCCFG2_1289_2019","RCC-FG2","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-002189",NA,NA,NA,NA
+"946","KU-19-19","Bladder/Urinary Tract","KU-19-19","KU-19-19",NA,NA,NA,NA,"KU-19-19",NA,"KU-19-19","KU-19-19","KU-19-19",NA,"KU1919",NA,"KU-19-19",NA,"KU1919_URINARY_TRACT","urinary_tract","urinary_tract",NA,NA,NA,NA,"urinary_tract","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","KU1919","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_1344","KU1919_794_2019","KU-19-19","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000486",NA,NA,NA,NA
+"947","KY821","Myeloid","KY821",NA,NA,NA,NA,NA,"KY821","KY821",NA,NA,"KY821",NA,NA,NA,"KY821",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1346","KY821_797_2019","KY821","haematopoietic_and_lymphoid_tissue","Acute myelomonocytic leukemia","Cancer cell line",NA,"ACH-002262",NA,NA,NA,NA
+"948","KYAE-1","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"KYAE-1","KYAE-1",NA,NA,"KYAE-1",NA,NA,NA,"KYAE-1",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,"oesophagus",NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,"CVCL_1825","KYAE1_798_2019","KYAE-1","oesophagus","Esophageal adenocarcinoma","Cancer cell line",TRUE,"ACH-001544",NA,NA,NA,NA
+"949","KYM-1","Soft Tissue",NA,"KYM-1",NA,NA,NA,NA,"KYM-1",NA,"KYM-1","KYM-1","KYM-1",NA,"KYM1",NA,"KYM-1",NA,NA,NA,"soft_tissue",NA,NA,NA,NA,"Muscle","soft_tissue",NA,NA,NA,"soft_tissue","soft_tissue",NA,"soft_tissue","KYM1","soft_tissue",NA,NA,NA,NA,"CVCL_3007","KYM1_799_2019","KYM-1","soft_tissue","Alveolar rhabdomyosarcoma","Cancer cell line",NA,"ACH-000607",NA,NA,NA,NA
+"950","KYO-1","Myeloid",NA,"KYO-1",NA,NA,NA,NA,NA,NA,"KYO-1","KYO-1",NA,NA,"KYO1",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2095","KYO1_800_2019",NA,"haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000604",NA,NA,NA,NA
+"951","KYSE-140","Esophagus/Stomach","KYSE-140","KYSE-140",NA,NA,"KYSE-140","KYSE140","KYSE-140",NA,"KYSE-140","KYSE-140","KYSE-140",NA,"KYSE140","KYSE-140","KYSE-140",NA,"KYSE140_OESOPHAGUS","oesophagus","oesophagus",NA,NA,"Esophagus","OESOPHAGUS","Esophagus","oesophagus",NA,NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","KYSE140","oesophagus",NA,NA,NA,"esophagus","CVCL_1347","KYSE140_801_2019","KYSE-140","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000823",NA,NA,NA,NA
+"952","KYSE-150","Esophagus/Stomach","KYSE-150","KYSE-150",NA,NA,"KYSE-150",NA,"KYSE-150",NA,"KYSE-150","KYSE-150","KYSE-150",NA,"KYSE150","KYSE-150","KYSE-150",NA,"KYSE150_OESOPHAGUS","oesophagus","oesophagus",NA,NA,"Esophagus",NA,"Esophagus","oesophagus",NA,NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","KYSE150","oesophagus",NA,NA,NA,"esophagus","CVCL_1348","KYSE150_802_2019","KYSE-150","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000855",NA,NA,NA,NA
+"953","KYSE-180","Esophagus/Stomach","KYSE-180","KYSE-180",NA,NA,"KYSE-180",NA,"KYSE-180",NA,"KYSE-180","KYSE-180","KYSE-180",NA,"KYSE180","KYSE-180","KYSE-180",NA,"KYSE180_OESOPHAGUS","oesophagus","oesophagus",NA,NA,"Esophagus",NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","KYSE180","oesophagus",NA,NA,NA,"esophagus","CVCL_1349","KYSE180_803_2019","KYSE-180","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000693",NA,NA,NA,NA
+"954","KYSE-220","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"KYSE-220","KYSE-220",NA,NA,"KYSE-220",NA,NA,NA,"KYSE-220",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,"oesophagus",NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,"CVCL_1359","KYSE220_804_2019","KYSE-220","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-002263",NA,NA,NA,NA
+"955","KYSE-270","Esophagus/Stomach","KYSE-270","KYSE-270",NA,NA,"KYSE-270",NA,"KYSE-270",NA,"KYSE-270","KYSE-270","KYSE-270",NA,NA,"KYSE-270","KYSE-270",NA,"KYSE270_OESOPHAGUS","oesophagus","oesophagus",NA,NA,"Esophagus",NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus",NA,"Esophagus","oesophagus",NA,NA,NA,NA,NA,"esophagus","CVCL_1350","KYSE270_805_2019","KYSE-270","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000873",NA,NA,NA,NA
+"956","KYSE-30","Esophagus/Stomach",NA,"KYSE-30","KYSE30",NA,"KYSE-30",NA,NA,NA,"KYSE-30","KYSE-30","KYSE-30",NA,"KYSE30","KYSE-30",NA,NA,"KYSE30_OESOPHAGUS",NA,"oesophagus","esophagus",NA,"Esophagus",NA,NA,"oesophagus",NA,NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","KYSE30","oesophagus",NA,NA,NA,"esophagus","CVCL_1351","KYSE30_806_2019",NA,"oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000777",NA,NA,NA,NA
+"957","KYSE-410","Esophagus/Stomach","KYSE-410","KYSE-410",NA,NA,NA,"KYSE410","KYSE-410",NA,"KYSE-410","KYSE-410","KYSE-410",NA,"KYSE410","KYSE-410","KYSE-410",NA,"KYSE410_OESOPHAGUS","oesophagus","oesophagus",NA,NA,NA,"OESOPHAGUS","Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","KYSE410","oesophagus",NA,NA,NA,"esophagus","CVCL_1352","KYSE410_807_2019","KYSE-410","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000809",NA,NA,NA,NA
+"958","KYSE-450","Esophagus/Stomach","KYSE-450","KYSE-450",NA,NA,"KYSE-450","KYSE450","KYSE-450",NA,"KYSE-450","KYSE-450","KYSE-450",NA,"KYSE450","KYSE-450","KYSE-450",NA,NA,"oesophagus","oesophagus",NA,NA,"Esophagus","OESOPHAGUS","Esophag","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","KYSE450","oesophagus",NA,NA,NA,NA,"CVCL_1353","KYSE450_808_2019","KYSE-450","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000865",NA,NA,NA,NA
+"959","KYSE-50","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"KYSE-50","KYSE-50",NA,NA,"KYSE-50",NA,NA,NA,"KYSE-50",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,"oesophagus",NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,"CVCL_1360","KYSE50_809_2019","KYSE-50","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-002264",NA,NA,NA,NA
+"960","KYSE-510","Esophagus/Stomach","KYSE-510","KYSE-510",NA,NA,"KYSE-510",NA,"KYSE-510",NA,"KYSE-510","KYSE-510","KYSE-510",NA,"KYSE510","KYSE-510","KYSE-510",NA,"KYSE510_OESOPHAGUS","oesophagus","oesophagus",NA,NA,"Esophagus",NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","KYSE510","oesophagus",NA,NA,NA,"esophagus","CVCL_1354","KYSE510_810_2019","KYSE-510","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000824",NA,NA,NA,NA
+"961","KYSE-520","Esophagus/Stomach","KYSE-520","KYSE-520",NA,NA,"KYSE-520",NA,"KYSE-520",NA,"KYSE-520","KYSE-520","KYSE-520",NA,"KYSE520","KYSE-520","KYSE-520",NA,"KYSE520_OESOPHAGUS","oesophagus","oesophagus",NA,NA,"Esophagus",NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","KYSE520","oesophagus",NA,NA,NA,"esophagus","CVCL_1355","KYSE520_811_2019","KYSE-520","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000637",NA,NA,NA,NA
+"962","KYSE-70","Esophagus/Stomach","KYSE-70","KYSE-70",NA,NA,"KYSE-70",NA,"KYSE-70",NA,"KYSE-70","KYSE-70","KYSE-70",NA,"KYSE70","KYSE-70","KYSE-70",NA,"KYSE70_OESOPHAGUS","oesophagus","oesophagus",NA,NA,"Esophagus",NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","KYSE70","oesophagus",NA,NA,NA,"esophagus","CVCL_1356","KYSE70_812_2019","KYSE-70","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000784",NA,NA,NA,NA
+"963","Karpas-1106P","Lymphoid",NA,NA,NA,NA,"KARPAS-1106P",NA,"KARPAS-1106P","KARPAS-1106P",NA,NA,"KARPAS-1106P",NA,NA,"KARPAS-1106P","KARPAS-1106P",NA,NA,NA,NA,NA,NA,"Lymph Node",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1821","KARPAS1106P_727_2019","KARPAS-1106P","haematopoietic_and_lymphoid_tissue","Mediastinal (thymic) large B-cell lymphoma","Cancer cell line",NA,"ACH-002254",NA,NA,NA,NA
+"964","Karpas-231","Lymphoid",NA,NA,NA,NA,NA,NA,"KARPAS-231","KARPAS-231",NA,NA,"KARPAS-231",NA,NA,NA,"KARPAS-231",NA,NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1822","KARPAS231_728_2019","KARPAS-231","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-002255",NA,NA,NA,NA
+"965","Karpas-299","Lymphoid","KARPAS-299","KARPAS-299",NA,NA,NA,NA,"KARPAS-299",NA,"KARPAS-299","KARPAS-299","KARPAS-299",NA,"KARPAS299","KARPAS-299","KARPAS-299",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1324","KARPAS299_729_2019","KARPAS-299","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000053",NA,NA,NA,NA
+"966","Karpas-384","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2541","Karpas-3849662021_",NA,NA,NA,NA,NA,"ACH-001097",NA,NA,NA,NA
+"967","Karpas-422","Lymphoid","KARPAS-422","KARPAS-422",NA,NA,"KARPAS-422",NA,"KARPAS-422",NA,"KARPAS-422","KARPAS-422","KARPAS-422",NA,"KARPAS422","KARPAS-422","KARPAS-422",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1325","KARPAS422_730_2019","KARPAS-422","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000315",NA,NA,NA,NA
+"968","Karpas-45","Lymphoid","KARPAS-45",NA,NA,NA,NA,NA,"KARPAS-45","KARPAS-45",NA,NA,"KARPAS-45",NA,NA,NA,"KARPAS-45",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1326","KARPAS45_731_2019","KARPAS-45","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002256",NA,NA,NA,NA
+"969","Karpas-620","Lymphoid",NA,"KARPAS-620",NA,NA,"KARPAS-620",NA,"KARPAS-620","KARPAS-620","KARPAS-620","KARPAS-620","KARPAS-620",NA,"KARPAS620","KARPAS-620","KARPAS-620",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1823","KARPAS620_732_2019","KARPAS-620","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000193",NA,NA,NA,NA
+"970","Kasumi-1","Myeloid","KASUMI-1","KASUMI-1",NA,NA,"Kasumi-1",NA,"KASUMI-1",NA,"KASUMI-1","KASUMI-1","KASUMI-1",NA,"KASUMI1","Kasumi-1","KASUMI-1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"KASUMI1","blood",NA,NA,"CVCL_0589","KASUMI1_733_2019","KASUMI-1","haematopoietic_and_lymphoid_tissue","Childhood acute myeloid leukemia with maturation","Cancer cell line",NA,"ACH-000263",NA,NA,NA,NA
+"971","Kasumi-2","Lymphoid",NA,"KASUMI-2","KASUMI2",NA,NA,NA,NA,NA,"KASUMI-2","KASUMI-2",NA,NA,"KASUMI2",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0590","KASUMI2_734_2019",NA,"haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia with t(1","Cancer cell line",NA,"ACH-000728",NA,NA,NA,NA
+"972","Kasumi-3","Myeloid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0612","Kasumi3_735_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia with minimal differentiation","Cancer cell line",NA,NA,NA,NA,NA,NA
+"973","Kasumi-6","Myeloid",NA,"Kasumi-6",NA,NA,NA,NA,NA,NA,"Kasumi-6","Kasumi-6",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0614","Kasumi6_736_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000166",NA,NA,NA,NA
+"974","Kelly","Peripheral Nervous System","NB19","KELLY",NA,NA,"KELLY",NA,"KELLY",NA,"KELLY","KELLY","KELLY",NA,"KELLY","KELLY","KELLY",NA,"KELLY_AUTONOMIC_GANGLIA","autonomic_ganglia","autonomic_ganglia",NA,NA,"Brain",NA,"CNS","autonomic_ganglia",NA,NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia",NA,NA,NA,NA,NA,"peripheral_nervous_system","CVCL_2092","KELLY_743_2019","KELLY","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-000259",NA,NA,NA,NA
+"975","Ki-JK","Lymphoid",NA,"Ki-JK",NA,NA,NA,NA,NA,NA,"Ki-JK","Ki-JK",NA,NA,"KIJK",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2093","KiJK_748_2019",NA,"haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000773",NA,NA,NA,NA
+"976","Ku812","Myeloid","KU812","KU812","KU812",NA,"KU812","KU812","KU812","KU812","KU812","KU812","KU812",NA,"KU812","KU812","KU812",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0379","KU812_795_2019","KU812","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000074",NA,NA,NA,NA
+"977","Kuramochi","Ovary/Fallopian Tube","KURAMOCHI","KURAMOCHI",NA,NA,"KURAMOCHI",NA,"KURAMOCHI",NA,"KURAMOCHI","KURAMOCHI","KURAMOCHI",NA,"KURAMOCHI","KURAMOCHI","KURAMOCHI",NA,"KURAMOCHI_OVARY","ovary","ovary",NA,NA,"Ovary",NA,"Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary","Ovary","ovary","KURAMOCHI","ovary",NA,NA,NA,"ovary","CVCL_1345","KURAMOCHI_796_2019","KURAMOCHI","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000524",NA,NA,NA,NA
+"978","L-1236","Lymphoid",NA,"L-1236",NA,NA,NA,NA,"L-1236",NA,"L-1236","L-1236","L-1236",NA,"L1236",NA,"L-1236",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2096","L1236_813_2019","L-1236","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000702",NA,NA,NA,NA
+"979","L-363","Lymphoid","L-363","L-363",NA,NA,"L-363",NA,"L-363",NA,"L-363","L-363","L-363",NA,"L363","L-363","L-363",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1357","L363_814_2019","L-363","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000183",NA,NA,NA,NA
+"980","L-428","Lymphoid","L-428","L-428","L428",NA,NA,NA,"L-428",NA,"L-428","L-428","L-428",NA,"L428",NA,"L-428",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1361","L428_815_2019","L-428","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000754",NA,NA,NA,NA
+"981","L-540","Lymphoid","L-540","L-540",NA,NA,NA,NA,"L-540",NA,"L-540","L-540","L-540",NA,"L540",NA,"L-540",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1362","L540_816_2019","L-540","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000806",NA,NA,NA,NA
+"982","L-82","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2098","L-829822021_",NA,NA,NA,NA,NA,"ACH-001111",NA,NA,NA,NA
+"983","L3.3","Pancreas",NA,"L3.3",NA,NA,NA,NA,NA,NA,"L3","L3.3",NA,NA,"L33",NA,NA,NA,"L33_PANCREAS",NA,"pancreas",NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,"pancreas",NA,NA,"L33","pancreas",NA,NA,NA,"pancreas","CVCL_8147","L3.3_817_2019",NA,"pancreas","Pancreatic adenosquamous carcinoma","Cancer cell line",TRUE,"ACH-000685",NA,NA,NA,NA
+"984","L542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU88","L5429842021_",NA,NA,NA,NA,NA,"ACH-002351",NA,NA,NA,NA
+"985","LA-N-1","Peripheral Nervous System","LAN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LA-N-19852021_",NA,"autonomic_ganglia","Neuroblastoma",NA,NA,NA,NA,NA,NA,NA
+"986","LA-N-2","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1829","LA-N-29862021_",NA,NA,NA,NA,NA,"ACH-001354",NA,NA,NA,NA
+"987","LA-N-5","Peripheral Nervous System","LAN-5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LA-N-59872021_",NA,"autonomic_ganglia","Neuroblastoma",NA,NA,NA,NA,NA,NA,NA
+"988","LA-N-6","Peripheral Nervous System","LAN-6",NA,NA,NA,NA,NA,"LAN-6","LAN-6",NA,NA,"LAN-6",NA,NA,NA,"LAN-6",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1363","LAN6_819_2019","LAN-6","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-001355",NA,NA,NA,NA
+"989","LAMA-84","Myeloid","LAMA-84","LAMA-84",NA,NA,NA,NA,"LAMA-84","LAMA-84","LAMA-84","LAMA-84","LAMA-84",NA,"LAMA84",NA,"LAMA-84",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0388","LAMA84_818_2019","LAMA-84","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000301",NA,NA,NA,NA
+"990","LB1047-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E908","LB1047-EBV9902021_",NA,NA,NA,NA,NA,"ACH-002352",NA,NA,NA,NA
+"991","LB1047-RCC","Kidney","LB1047-RCC",NA,NA,NA,NA,NA,"LB1047-RCC","LB1047-RCC",NA,NA,"LB1047-RCC",NA,NA,NA,"LB1047-RCC",NA,NA,"kidney",NA,NA,NA,NA,NA,"kidney",NA,"kidney",NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_1364","LB1047RCC_820_2019","LB1047-RCC","kidney","Renal cell carcinoma","Cancer cell line",TRUE,"ACH-002150",NA,NA,NA,NA
+"992","LB2241-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU68","LB2241-EBV9922021_",NA,NA,NA,NA,NA,"ACH-002353",NA,NA,NA,NA
+"993","LB2241-RCC","Kidney","LB2241-RCC",NA,NA,NA,NA,NA,"LB2241-RCC","LB2241-RCC",NA,NA,"LB2241-RCC",NA,NA,NA,"LB2241-RCC",NA,NA,"kidney",NA,NA,NA,NA,NA,"Kidney",NA,"kidney",NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_1365","LB2241RCC_821_2019","LB2241-RCC","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002151",NA,NA,NA,NA
+"994","LB2518-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E914","LB2518-EBV9942021_",NA,NA,NA,NA,NA,"ACH-002354",NA,NA,NA,NA
+"995","LB2518-MEL","Skin","LB2518-MEL",NA,NA,NA,NA,NA,"LB2518-MEL","LB2518-MEL",NA,NA,"LB2518-MEL",NA,NA,NA,"LB2518-MEL",NA,NA,"skin",NA,NA,NA,NA,NA,"skin",NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1366","LB2518MEL_822_2019","LB2518-MEL","skin","Melanoma","Cancer cell line",NA,"ACH-002152","LB2518-MEL","Skin",NA,NA
+"996","LB373-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E917","LB373-EBV9962021_",NA,NA,NA,NA,NA,"ACH-002355",NA,NA,NA,NA
+"997","LB373-MEL-D","Skin","LB373-MEL-D",NA,NA,NA,NA,NA,"LB373-MEL-D","LB373-MEL-D",NA,NA,"LB373-MEL-D",NA,NA,NA,"LB373-MEL-D",NA,NA,"skin",NA,NA,NA,NA,NA,"skin",NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1367","LB373MELD_823_2019","LB373-MEL-D","skin","Melanoma","Cancer cell line",NA,"ACH-002153",NA,NA,NA,NA
+"998","LB647-PBL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU82","LB647-PBL9982021_",NA,NA,NA,NA,NA,"ACH-002356",NA,NA,NA,NA
+"999","LB647-SCLC","Lung","LB647-SCLC",NA,NA,NA,NA,NA,"LB647-SCLC","LB647-SCLC",NA,NA,"LB647-SCLC",NA,NA,NA,"LB647-SCLC",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1368","LB647SCLC_824_2019","LB647-SCLC","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-002154",NA,NA,NA,NA
+"1000","LB771-HNC","Head and Neck","LB771-HNC",NA,NA,NA,NA,NA,"LB771-HNC","LB771-HNC",NA,NA,"LB771-HNC",NA,NA,NA,"LB771-HNC",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,"aero_digestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1369","LB771HNC_825_2019","LB771-HNC","upper_aerodigestive_tract","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-002265",NA,NA,NA,NA
+"1001","LB771-PBL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU87","LB771-PBL10012021_",NA,NA,NA,NA,NA,"ACH-002357",NA,NA,NA,NA
+"1002","LB831-BLC","Bladder/Urinary Tract","LB831-BLC",NA,NA,NA,NA,NA,"LB831-BLC","LB831-BLC",NA,NA,"LB831-BLC",NA,NA,NA,"LB831-BLC",NA,NA,"urinary_tract",NA,NA,NA,NA,NA,"urinary_tract",NA,"urogenital_system",NA,NA,"urinary_tract",NA,NA,"urinary_tract",NA,NA,NA,NA,NA,NA,"CVCL_1370","LB831BLC_826_2019","LB831-BLC","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-002266",NA,NA,NA,NA
+"1003","LB831-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E913","LB831-EBV10032021_",NA,NA,NA,NA,NA,"ACH-002358",NA,NA,NA,NA
+"1004","LB996-EBV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E912","LB996-EBV10042021_",NA,NA,NA,NA,NA,"ACH-002359",NA,NA,NA,NA
+"1005","LB996-RCC","Kidney","LB996-RCC",NA,NA,NA,NA,NA,"LB996-RCC","LB996-RCC",NA,NA,"LB996-RCC",NA,NA,NA,"LB996-RCC",NA,NA,"kidney",NA,NA,NA,NA,NA,"kidney",NA,"kidney",NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_1371","LB996RCC_827_2019","LB996-RCC","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002155",NA,NA,NA,NA
+"1006","LC-1/sq","Lung",NA,NA,NA,NA,NA,NA,"LC-1-sq","LC-1-sq",NA,NA,"LC-1-sq",NA,NA,NA,"LC-1-sq",NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_3008","LC1sq_828_2019","LC-1-sq","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-002156",NA,NA,NA,NA
+"1007","LC-1/sq-SF","Lung",NA,"LC-1/sq-SF",NA,NA,NA,"LC1SQSF",NA,NA,NA,NA,NA,NA,"LC1SQSF",NA,NA,NA,"LC1SQSF_LUNG",NA,"lung",NA,NA,NA,"LUNG",NA,NA,NA,NA,NA,NA,"lung",NA,NA,"LC1SQSF",NA,NA,NA,NA,"lung","CVCL_5480","LC1/sqSF_829_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-001113",NA,NA,NA,NA
+"1008","LC-1F","Lung","LC-1F","LC-1F",NA,NA,NA,NA,"LC-1F",NA,"LC-1F","LC-1F",NA,NA,"LC1F",NA,NA,NA,NA,"lung","lung",NA,NA,NA,NA,"lung","lung",NA,NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1372","LC1F_830_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000705",NA,NA,NA,NA
+"1009","LC-2/ad","Lung","LC-2-ad",NA,NA,NA,NA,NA,"LC-2-ad","LC-2-ad",NA,NA,"LC-2-ad",NA,NA,NA,"LC-2-ad",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1373","LC2ad_831_2019","LC-2-ad","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-002157",NA,NA,NA,NA
+"1010","LC4-1","Lymphoid","LC4-1",NA,NA,NA,NA,NA,"LC4-1","LC4-1",NA,NA,"LC4-1",NA,NA,NA,"LC4-1",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1374","LC41_832_2019","LC4-1","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002267",NA,NA,NA,NA
+"1011","LCLC-103H","Lung","LCLC-103H","LCLC-103H",NA,NA,"LCLC-103H","LCLC103H","LCLC-103H",NA,"LCLC-103H","LCLC-103H","LCLC-103H",NA,"LCLC103H","LCLC-103H","LCLC-103H",NA,"LCLC103H_LUNG","lung","lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","LCLC103H","lung",NA,NA,NA,"lung","CVCL_1375","LCLC103H_833_2019","LCLC-103H","lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000627",NA,NA,NA,NA
+"1012","LCLC-97TM1","Lung","LCLC-97TM1","LCLC-97TM1",NA,NA,"LCLC-97TM1","LCLC97TM1","LCLC-97TM1",NA,"LCLC-97TM1","LCLC-97TM1","LCLC-97TM1",NA,"LCLC97TM1","LCLC-97TM1","LCLC-97TM1",NA,NA,"lung","lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","LCLC97TM1","lung",NA,NA,NA,NA,"CVCL_1376","LCLC97TM1_834_2019","LCLC-97TM1","lung","Large cell lung carcinoma","Cancer cell line",NA,"ACH-000596",NA,NA,NA,NA
+"1013","LIM1215","Bowel",NA,NA,NA,NA,NA,NA,NA,"LIM1215",NA,NA,"LIM1215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2574","LIM1215_836_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1014","LK-2","Lung","LK-2","LK-2",NA,NA,NA,NA,"LK-2",NA,"LK-2","LK-2","LK-2",NA,"LK2",NA,"LK-2",NA,"LK2_LUNG","lung","lung",NA,NA,NA,NA,"lung","lung","lung",NA,NA,"lung","lung",NA,"lung","LK2","lung",NA,NA,NA,"lung","CVCL_1377","LK2_837_2019","LK-2","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000769",NA,NA,NA,NA
+"1015","LMSU","Esophagus/Stomach",NA,"LMSU",NA,NA,NA,NA,NA,NA,"LMSU","LMSU",NA,NA,"LMSU",NA,NA,NA,"LMSU_STOMACH",NA,"stomach",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,"stomach",NA,NA,"LMSU","stomach",NA,NA,NA,"gastric","CVCL_4849","LMSU_838_2019",NA,"stomach","Gastric carcinoma","Cancer cell line",TRUE,"ACH-000255",NA,NA,NA,NA
+"1016","LN-18","CNS/Brain",NA,"LN-18",NA,NA,"LN-18",NA,"LN-18",NA,"LN-18","LN-18","LN-18",NA,"LN18","LN-18","LN-18",NA,"LN18_CENTRAL_NERVOUS_SYSTEM",NA,"central_nervous_system",NA,NA,"Brain",NA,"Brain","central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","LN18","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_0392","LN18_839_2019","LN-18","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000819",NA,NA,NA,NA
+"1017","LN-215","CNS/Brain",NA,"LN-215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3954","LN215_840_2019",NA,"central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000328",NA,NA,NA,NA
+"1018","LN-229","CNS/Brain",NA,"LN-229",NA,NA,"LN-229","LN229","LN-229",NA,"LN-229","LN-229","LN-229",NA,"LN229","LN-229","LN-229",NA,"LN229_CENTRAL_NERVOUS_SYSTEM",NA,"central_nervous_system",NA,NA,"Brain","CENTRAL_NERVOUS_SYSTEM","Brain","central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","LN229","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_0393","LN229_841_2019","LN-229","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000595",NA,NA,NA,NA
+"1019","LN-229/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LN-229/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,NA,"LN-229/H.Fine10192021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1020","LN-235","CNS/Brain",NA,"LN-235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3957","LN235_842_2019",NA,"central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000591",NA,NA,NA,NA
+"1021","LN-308","CNS/Brain",NA,"LNZ308",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0394","LNZ308_852_2019",NA,"central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000760",NA,NA,NA,NA
+"1022","LN-319","CNS/Brain",NA,"LN-319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3958","LN319_843_2019",NA,"central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000128",NA,NA,NA,NA
+"1023","LN-340","CNS/Brain",NA,"LN-340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3955","LN340_844_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000634",NA,NA,NA,NA
+"1024","LN-382","CNS/Brain",NA,"LN382",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3956","LN382_849_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000215",NA,NA,NA,NA
+"1025","LN-405","CNS/Brain","LN-405",NA,NA,NA,NA,NA,"LN-405","LN-405",NA,NA,"LN-405",NA,NA,NA,"LN-405",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"Brain",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1378","LN405_845_2019","LN-405","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-002268",NA,NA,NA,NA
+"1026","LN-428","CNS/Brain",NA,"LN-428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3959","LN428_846_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000455",NA,NA,NA,NA
+"1027","LN-443","CNS/Brain",NA,"LN-443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3960","LN443_847_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000673",NA,NA,NA,NA
+"1028","LN-464","CNS/Brain",NA,"LN-464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3962","LN464_848_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000676",NA,NA,NA,NA
+"1029","LNCaP","Prostate",NA,NA,NA,NA,"LNCAP",NA,NA,NA,NA,NA,NA,NA,NA,"LNCAP",NA,NA,NA,NA,NA,NA,NA,"Prostate",NA,NA,NA,NA,NA,NA,"prostate",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0395","LNCAP_850_2019",NA,"prostate","Prostate carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1030","LNCaP clone FGC","Prostate","LNCaP-Clone-FGC","LNCaP clone FGC","LNCAP",NA,NA,NA,"LNCaP-Clone-FGC",NA,"LNCaP_clone_FGC","LNCaP_clone_FGC","LNCaP-Clone-FGC",NA,"LNCAPCLONEFGC","LNCAP clone FGC","LNCaP-Clone-FGC",NA,"LNCAPCLONEFGC_PROSTATE","prostate","prostate","prostate",NA,NA,NA,"prostate","prostate","urogenital_system",NA,NA,"prostate","prostate","Prostate","prostate",NA,NA,NA,NA,NA,"prostate","CVCL_1379","LNCaPCloneFGC_851_2019","LNCaP-Clone-FGC","prostate","Prostate carcinoma","Cancer cell line",TRUE,"ACH-000977",NA,NA,NA,NA
+"1031","LNZTA3WT4","CNS/Brain",NA,NA,NA,NA,NA,NA,"LNZTA3WT4","LNZTA3WT4",NA,NA,"LNZTA3WT4",NA,NA,NA,"LNZTA3WT4",NA,NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_3540","LNZTA3WT4_853_2019","LNZTA3WT4","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-002269",NA,NA,NA,NA
+"1032","LOU-NH91","Lung",NA,"LOU-NH91",NA,NA,"LOU-NH91",NA,"LOU-NH91",NA,"LOU-NH91","LOU-NH91","LOU-NH91",NA,"LOUNH91","LOU-NH91","LOU-NH91",NA,"LOUNH91_LUNG",NA,"lung",NA,NA,"Lung",NA,"Lung:NSCLC","lung",NA,NA,NA,NA,"lung",NA,"lung","LOUNH91","lung",NA,NA,NA,"lung","CVCL_2104","LOUNH91_854_2019","LOU-NH91","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000176",NA,NA,NA,NA
+"1033","LOX-IMVI","Skin","LOXIMVI","LOX IMVI","LOXIMVI",NA,"LOX-IMVI",NA,"LOXIMVI",NA,"LOX_IMVI","LOX_IMVI","LOXIMVI",NA,"LOXIMVI","LOX-IMVI","LOXIMVI","LOX IMVI///ME.LOX.IMVI","LOXIMVI_SKIN","haematopoietic_and_lymphoid_tissue","skin","skin",NA,"Skin",NA,"Skin","haematopoietic_and_lymphoid_tissue","skin",NA,NA,"haematopoietic_and_lymphoid_tissue","skin","Skin","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Melanoma","skin","CVCL_1381","LOXIMVI_857_2019","LOXIMVI","haematopoietic_and_lymphoid_tissue","Amelanotic melanoma","Cancer cell line",TRUE,"ACH-000750","LOXIMVI","Skin",NA,NA
+"1034","LP-1","Lymphoid","LP-1","LP-1",NA,NA,"LP-1","LP1","LP-1",NA,"LP-1","LP-1","LP-1",NA,"LP1","LP-1","LP-1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0012","LP1_858_2019","LP-1","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000204",NA,NA,NA,NA
+"1035","LPS067",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LPS06710352021_",NA,NA,NA,NA,NA,"ACH-001807",NA,NA,NA,NA
+"1036","LPS141","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M823","LPS14110362021_",NA,NA,NA,NA,NA,"ACH-001799",NA,NA,NA,NA
+"1037","LPS27",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LPS2710372021_",NA,NA,NA,NA,NA,"ACH-001793",NA,NA,NA,NA
+"1038","LPS510","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V414","LPS51010382021_",NA,NA,NA,NA,NA,"ACH-001804",NA,NA,NA,NA
+"1039","LPS6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LPS610392021_",NA,NA,NA,NA,NA,"ACH-001791",NA,NA,NA,NA
+"1040","LPS853","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V415","LPS85310402021_",NA,NA,NA,NA,NA,"ACH-001802",NA,NA,NA,NA
+"1041","LS","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2105","LS10412021_",NA,NA,NA,NA,NA,"ACH-001548",NA,NA,NA,NA
+"1042","LS1034","Bowel","LS-1034","LS1034","LS1034",NA,"LS1034",NA,"LS-1034",NA,"LS1034","LS1034","LS-1034",NA,"LS1034","LS1034","LS-1034",NA,"LS1034_LARGE_INTESTINE","large_intestine","large_intestine","colon",NA,"Cecum",NA,"Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Unclassified","large_intestine","LS1034","large_intestine",NA,NA,NA,"colorectal","CVCL_1382","LS1034_860_2019","LS-1034","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000252",NA,NA,NA,NA
+"1043","LS1034-PBL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VV29","LS1034-PBL10432021_",NA,NA,NA,NA,NA,"ACH-002376",NA,NA,NA,NA
+"1044","LS123","Bowel","LS-123","LS123",NA,NA,NA,"LS123","LS-123",NA,"LS123","LS123","LS-123",NA,"LS123",NA,"LS-123",NA,NA,"large_intestine","large_intestine",NA,NA,NA,"LARGE_INTESTINE","Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine",NA,"large_intestine","LS123","large_intestine",NA,NA,NA,NA,"CVCL_1383","LS123_861_2019","LS-123","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000501",NA,NA,NA,NA
+"1045","LS174T","Bowel","LS-174T",NA,"LS174T",NA,"LS 174T",NA,NA,NA,NA,NA,NA,NA,NA,"LS 174T",NA,NA,NA,"large_intestine",NA,"colon",NA,"Colon",NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1384","LS174T_862_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1046","LS174T-HM7","Bowel",NA,NA,NA,NA,"HM7",NA,NA,NA,NA,NA,NA,NA,NA,"HM7",NA,NA,NA,NA,NA,NA,NA,"Colon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6670","HM7_551_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1047","LS180","Bowel",NA,"LS 180",NA,NA,"LS 180","LS180","LS-180","LS-180","LS_180","LS_180","LS-180",NA,"LS180","LS-180","LS-180",NA,"LS180_LARGE_INTESTINE",NA,"large_intestine",NA,NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine",NA,NA,NA,NA,"large_intestine",NA,"large_intestine","LS180","large_intestine",NA,NA,NA,"colorectal","CVCL_0397","LS180_859_2019","LS-180","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000957",NA,NA,NA,NA
+"1048","LS411N","Bowel","LS-411N","LS411N",NA,NA,NA,"LS411N","LS-411N",NA,"LS411N","LS411N","LS-411N",NA,"LS411N",NA,"LS-411N",NA,"LS411N_LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,NA,"LARGE_INTESTINE","Intestin","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine",NA,"large_intestine","LS411N","large_intestine",NA,NA,NA,"colorectal","CVCL_1385","LS411N_863_2019","LS-411N","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000985",NA,NA,NA,NA
+"1049","LS513","Bowel","LS-513","LS513",NA,NA,NA,"LS513","LS-513","LS-513","LS513","LS513","LS-513",NA,"LS513",NA,"LS-513",NA,"LS513_LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,NA,"LARGE_INTESTINE","Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine",NA,"large_intestine","LS513","large_intestine",NA,NA,NA,"colorectal","CVCL_1386","LS513_864_2019","LS-513","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000007",NA,NA,NA,NA
+"1050","LUDLU-1","Lung",NA,"LUDLU-1",NA,NA,NA,NA,NA,NA,"LUDLU-1","LUDLU-1",NA,NA,"LUDLU1",NA,NA,NA,"LUDLU1_LUNG",NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"lung","lung",NA,NA,"LUDLU1","lung",NA,NA,NA,"lung","CVCL_2582","LUDLU1_871_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000390",NA,NA,NA,NA
+"1051","LXF 289","Lung","LXF-289","LXF-289",NA,NA,"LXF-289","LXF289","LXF-289",NA,"LXF-289","LXF-289","LXF-289",NA,"LXF289","LXF-289","LXF-289",NA,"LXF289_LUNG","lung","lung",NA,NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_1394","LXF289_872_2019","LXF-289","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000787",NA,NA,NA,NA
+"1052","LXFL 529L","Lung",NA,NA,NA,NA,"LXFL529",NA,NA,NA,NA,NA,NA,NA,NA,"LXFL529",NA,"LXFL 529",NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,"Non-Small Cell Lung Cancer",NA,"CVCL_D085","LXFL529_873_2019",NA,"lung","Non-small cell lung carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1053","LXFS 650L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LXFS 650L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Small Cell Lung Cancer",NA,NA,"LXFS 650L10532021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1054","Li-7","Liver",NA,"Li-7",NA,NA,NA,NA,NA,NA,"Li-7","Li-7",NA,NA,"LI7","Li-7",NA,NA,"LI7_LIVER",NA,"liver",NA,NA,NA,NA,NA,"liver",NA,NA,NA,NA,"liver",NA,NA,"LI7","liver",NA,NA,NA,"liver","CVCL_3840","Li7_835_2019",NA,"liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000471",NA,NA,NA,NA
+"1055","LoVo","Bowel","LoVo","LoVo",NA,NA,"LoVo","LOVO","LoVo",NA,"LoVo","LoVo","LoVo",NA,"LOVO","LoVo","LoVo",NA,"LOVO_LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","LOVO","large_intestine",NA,NA,NA,"colorectal","CVCL_0399","LoVo_856_2019","LoVo","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000950",NA,NA,NA,NA
+"1056","Loucy","Lymphoid","LOUCY","Loucy",NA,NA,NA,NA,"LOUCY",NA,"Loucy","Loucy","LOUCY",NA,NA,NA,"LOUCY",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1380","LOUCY_855_2019","LOUCY","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000104",NA,NA,NA,NA
+"1057","Lu-134-A","Lung","LU-134-A",NA,NA,NA,NA,NA,"LU-134-A","LU-134-A",NA,NA,"LU-134-A",NA,NA,NA,"LU-134-A",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1387","LU134A_865_2019","LU-134-A","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-002051",NA,NA,NA,NA
+"1058","Lu-135","Lung","LU-135",NA,NA,NA,NA,NA,"LU-135","LU-135",NA,NA,"LU-135",NA,NA,NA,"LU-135",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1389","LU135_866_2019","LU-135","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-001549",NA,NA,NA,NA
+"1059","Lu-139","Lung","LU-139",NA,NA,NA,NA,NA,"LU-139","LU-139",NA,NA,"LU-139",NA,NA,NA,"LU-139",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1390","LU139_867_2019","LU-139","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-002052",NA,NA,NA,NA
+"1060","Lu-165","Lung","LU-165",NA,NA,NA,NA,NA,"LU-165","LU-165",NA,NA,"LU-165",NA,NA,NA,"LU-165",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1391","LU165_868_2019","LU-165","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002077",NA,NA,NA,NA
+"1061","Lu-65","Lung","LU-65","LU65",NA,NA,NA,"LU65","LU-65",NA,"LU65","LU65","LU-65",NA,"LU65",NA,"LU-65",NA,NA,"lung","lung",NA,NA,NA,"LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1392","LU65_869_2019","LU-65","lung","Lung giant cell carcinoma","Cancer cell line",NA,"ACH-000438",NA,NA,NA,NA
+"1062","Lu-99","Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LU99_LUNG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung","CVCL_3015","Lu-9910622021_",NA,NA,NA,NA,NA,"ACH-000444",NA,NA,NA,NA
+"1063","Lu-99A","Lung","LU-99A","LU99",NA,NA,NA,"LU99","LU-99A",NA,"LU99","LU99","LU-99A",NA,"LU99",NA,"LU-99A",NA,NA,"lung","lung",NA,NA,NA,"LUNG","Lung:NSCLC","lung",NA,NA,NA,"lung","lung",NA,"lung","LU99","lung",NA,NA,NA,NA,"CVCL_1393","LU99A_870_2019","LU-99A","lung","Lung giant cell carcinoma","Cancer cell line",NA,"ACH-002158",NA,NA,NA,NA
+"1064","M-07e","Myeloid",NA,"M-07e",NA,NA,NA,NA,NA,NA,"M-07e","M-07e",NA,NA,"M07E",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2106","M07e_875_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood acute megakaryoblastic leukemia","Cancer cell line",NA,"ACH-000602",NA,NA,NA,NA
+"1065","M000921","Skin",NA,NA,NA,NA,NA,NA,"M00921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_S808","M00921_876_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,"ACH-002386",NA,NA,NA,NA
+"1066","M040416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"M04041610662021_",NA,NA,NA,NA,NA,"ACH-002510",NA,NA,NA,NA
+"1067","M059J","CNS/Brain","M059J","M059J",NA,NA,"M059J",NA,"M059J","M059J",NA,NA,"M059J",NA,NA,"M059J","M059J",NA,NA,"central_nervous_system",NA,NA,NA,"Brain",NA,"central_nervous_system",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_0400","M059J_877_2019","M059J","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-001118",NA,NA,NA,NA
+"1068","M059K","CNS/Brain",NA,"M059K",NA,NA,"M059K",NA,"M059K",NA,"M059K","M059K",NA,NA,"M059K","M059K",NA,NA,NA,NA,"central_nervous_system",NA,NA,"Brain",NA,"Brain","central_nervous_system",NA,NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","M059K","central_nervous_system",NA,NA,NA,NA,"CVCL_0401","M059K_878_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000152",NA,NA,NA,NA
+"1069","M120327_3","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VS56","M120327_310692021_",NA,NA,NA,NA,NA,"ACH-002387",NA,NA,NA,NA
+"1070","M14","Skin","M14",NA,"M14",NA,NA,NA,"M14","M14",NA,NA,"M14",NA,NA,NA,"M14","M14///ME.M14",NA,"haematopoietic_and_lymphoid_tissue",NA,"skin",NA,NA,NA,"Skin",NA,"skin",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Melanoma",NA,"CVCL_1395","M14_879_2019","M14","haematopoietic_and_lymphoid_tissue","Amelanotic melanoma","Cancer cell line",TRUE,"ACH-002159",NA,NA,NA,NA
+"1071","M140325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"M14032510712021_",NA,NA,NA,NA,NA,"ACH-002511",NA,NA,NA,NA
+"1072","M19-MEL","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"M19-MEL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melanoma",NA,"CVCL_B415","M19-MEL10722021_",NA,NA,"Amelanotic melanoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1073","M980513","Skin",NA,NA,NA,NA,NA,NA,"M980513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_S675","M980513_880_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,"ACH-002338",NA,NA,NA,NA
+"1074","MA-CLS-2","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"macls2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4571","MACLS2_881_2019",NA,"breast","Ductal breast carcinoma","Cancer cell line",TRUE,"ACH-002326",NA,NA,NA,NA
+"1075","MAXF 401NL","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MAXF 401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Breast Cancer",NA,"CVCL_D131","MAXF 401NL10752021_",NA,NA,"Breast carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1076","MB-1","Thyroid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2109","MB-110762021_",NA,NA,NA,NA,NA,"ACH-001356",NA,NA,NA,NA
+"1077","MB002","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU79","MB00210772021_",NA,NA,NA,NA,NA,"ACH-001201",NA,NA,NA,NA
+"1078","MC-1010","Myeloid","MC-1010",NA,NA,NA,NA,NA,NA,"MC-1010",NA,NA,"MC-1010",NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1396","MC1010_884_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-002390",NA,NA,NA,NA
+"1079","MC/CAR","Lymphoid","MC-CAR",NA,"MCCAR",NA,NA,NA,"MC-CAR","MC-CAR",NA,NA,"MC-CAR",NA,NA,NA,"MC-CAR",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1397","MCCAR_885_2019","MC-CAR","haematopoietic_and_lymphoid_tissue",NA,"Transformed cell line",NA,"ACH-002270",NA,NA,NA,NA
+"1080","MC116","Lymphoid","MC116","MC116","MC116",NA,"MC116","MC116","MC116",NA,"MC116","MC116","MC116",NA,"MC116","MC116","MC116",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1399","MC116_887_2019","MC116","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-000583",NA,NA,NA,NA
+"1081","MCAS","Ovary/Fallopian Tube",NA,"MCAS",NA,NA,"MCAS",NA,NA,NA,"MCAS","MCAS","MCAS",NA,"MCAS","MCAS",NA,NA,"MCAS_OVARY",NA,"ovary",NA,NA,"Ovary",NA,NA,"ovary",NA,NA,NA,"ovary","ovary","Ovary","ovary","MCAS","ovary",NA,NA,NA,"ovary","CVCL_3020","MCAS_888_2019",NA,"ovary","Ovarian mucinous cystadenocarcinoma","Cancer cell line",NA,"ACH-000796",NA,NA,NA,NA
+"1082","MCC13","Skin",NA,NA,NA,NA,NA,NA,NA,"MCC13",NA,NA,"MCC13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_2583","MCC13_889_2019",NA,"skin","Merkel cell carcinoma","Cancer cell line",TRUE,"ACH-001550",NA,NA,NA,NA
+"1083","MCC14/2","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2584","MCC14/210832021_",NA,NA,NA,NA,NA,"ACH-001551",NA,NA,NA,NA
+"1084","MCC26","Skin",NA,NA,NA,NA,NA,NA,NA,"MCC26",NA,NA,"MCC26",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_2585","MCC26_890_2019",NA,"skin","Merkel cell carcinoma","Cancer cell line",NA,"ACH-001552",NA,NA,NA,NA
+"1085","MCF-10A","Breast",NA,NA,"MCF10A","MCF10A","MCF 10A",NA,NA,NA,NA,NA,NA,"mcf10a",NA,"MCF10A",NA,NA,NA,NA,NA,"breast","breast","Breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0598","MCF10A_891_2019",NA,"breast",NA,"Spontaneously immortalized cell line",NA,"ACH-001357",NA,NA,NA,NA
+"1086","MCF-10F","Breast",NA,NA,NA,"MCF10F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3633","MCF10F_893_2019",NA,"breast",NA,"Spontaneously immortalized cell line",NA,NA,NA,NA,NA,NA
+"1087","MCF-12A","Breast",NA,NA,NA,"MCF12A",NA,NA,NA,NA,NA,NA,NA,"mcf12a",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3744","MCF12A_894_2019",NA,"breast",NA,"Spontaneously immortalized cell line",NA,"ACH-002327",NA,NA,NA,NA
+"1088","MCF-7","Breast","MCF7","MCF7","MCF7","MCF7","MCF-7","MCF7","MCF7",NA,"MCF7","MCF7","MCF7","mcf7","MCF7","MCF-7","MCF7","MCF7///BR.MCF7///MCF7/ATCC","MCF7_BREAST","breast","breast","breast","breast","Breast","BREAST","Breast","breast","breast","11-mcf7///MCF7","breast","breast","breast","Breast","breast","MCF7","breast","MCF7","breast","Breast Cancer///Breast","breast","CVCL_0031","MCF7_895_2019","MCF7","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000019",NA,NA,NA,NA
+"1089","MCF-7/E6","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCF7-E6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Breast Cancer",NA,"CVCL_M439","MCF-7/E610892021_",NA,NA,"Invasive breast carcinoma of no special type","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1090","MCF-7/LY2","Breast",NA,NA,NA,"LY2",NA,NA,NA,NA,NA,NA,NA,"ly2///mcf7ly2",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,"13-ly2///LY2","breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_9579","LY2_874_2019",NA,"breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-002325",NA,NA,NA,NA
+"1091","MCF10DCIS.com","Breast",NA,NA,NA,NA,"MCF10DCIS.com",NA,NA,NA,NA,NA,NA,NA,NA,"MCF10DCIS.com",NA,NA,NA,NA,NA,NA,NA,"Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5552","MCF10DCIS.com_892_2019",NA,"breast",NA,"Transformed cell line",NA,NA,NA,NA,NA,NA
+"1092","MDA-MB-134-VI","Breast","MDA-MB-134-VI","MDA-MB-134-VI",NA,"MDAMB134VI","MDA-MB-134-VI",NA,"MDA-MB-134-VI",NA,"MDA-MB-134-VI","MDA-MB-134-VI",NA,"mdamb134vi///mda134///mda143",NA,"MDA-MB-134-VI",NA,NA,NA,"breast","breast",NA,"breast","Breast",NA,"breast","breast",NA,"MDA134","breast","breast",NA,NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_0617","MDAMB134VI_897_2019",NA,"breast","Invasive lobular breast carcinoma","Cancer cell line",TRUE,"ACH-000044",NA,NA,NA,NA
+"1093","MDA-MB-157","Breast","MDA-MB-157","MB 157///MDA-MB-157",NA,"MB157///MDAMB157","MDA-MB-157",NA,"MDA-MB-157",NA,"MDA-MB-157","MDA-MB-157","MDA-MB-157","mb157///mdamb157///mda157","MDAMB157","MDA-MB-157","MDA-MB-157",NA,NA,"breast","breast",NA,"breast","Breast",NA,"Breast","breast","breast","MDA157","breast","breast","breast","Breast","breast","MDAMB157","breast",NA,NA,NA,NA,"CVCL_0618","MDAMB157_898_2019","MDA-MB-157","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-000621",NA,NA,NA,NA
+"1094","MDA-MB-175-VII","Breast","MDA-MB-175-VII","MDA-MB-175-VII","MDAMB175VII","MDAMB175VII///MDAMB175","MDA-MB-175-VII",NA,NA,NA,"MDA-MB-175-VII","MDA-MB-175-VII","MDA-MB-175-VII","mdamb175vii///mda175vii///mda175",NA,"MDA-MB-175-VII","MDA-MB-175-VII",NA,"MDAMB175VII_BREAST","breast","breast","breast","breast","Breast",NA,NA,"breast","breast","MDA175VII","breast","breast",NA,"Breast","breast",NA,NA,NA,NA,NA,"breast","CVCL_1400","MDAMB175VII_899_2019","MDA-MB-175-VII","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000759",NA,NA,NA,NA
+"1095","MDA-MB-231","Breast","MDA-MB-231","MDA-MB-231","MDAMB231","MDAMB231","MDA-MB-231",NA,"MDA-MB-231",NA,"MDA-MB-231","MDA-MB-231","MDA-MB-231","mdamb231///mda231","MDAMB231","MDA-MB-231","MDA-MB-231","MDA-MB-231/ATCC///BR.MDA.MB.231","MDAMB231_BREAST","breast","breast","breast","breast","Breast",NA,"Breast","breast","breast","1-mda231///MDA231","breast","breast","breast","Breast","breast","MDAMB231","breast","MDAMB231","breast","Breast Cancer///Breast","breast","CVCL_0062","MDAMB231_900_2019","MDA-MB-231","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000768",NA,NA,NA,NA
+"1096","MDA-MB-330","Breast",NA,NA,NA,NA,"MDA-MB-330",NA,"MDA-MB-330","MDA-MB-330",NA,NA,"MDA-MB-330","mdamb330///mda330",NA,"MDA-MB-330","MDA-MB-330",NA,NA,NA,NA,NA,NA,"Breast",NA,"Breast",NA,NA,"MDA330","breast","breast",NA,NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_0619","MDAMB330_901_2019","MDA-MB-330","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001358",NA,NA,NA,NA
+"1097","MDA-MB-361","Breast","MDA-MB-361","MDA-MB-361",NA,"MDAMB361","MDA-MB-361",NA,"MDA-MB-361","MDA-MB-361","MDA-MB-361","MDA-MB-361","MDA-MB-361","mdamb361///mda361///mda36120","MDAMB361","MDA-MB-361","MDA-MB-361",NA,NA,"breast","breast",NA,"breast","Breast",NA,"Breast","breast","breast","MDA361","breast","breast","breast",NA,"breast","MDAMB361","breast",NA,NA,NA,NA,"CVCL_0620","MDAMB361_902_2019","MDA-MB-361","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000934",NA,NA,NA,NA
+"1098","MDA-MB-415","Breast","MDA-MB-415","MDA-MB-415",NA,"MDAMB415","MDA-MB-415",NA,"MDA-MB-415",NA,"MDA-MB-415","MDA-MB-415","MDA-MB-415","mdamb415","MDAMB415","MDA-MB-415","MDA-MB-415",NA,NA,"breast","breast",NA,"breast","Breast",NA,"breast","breast","breast",NA,"breast","breast","breast",NA,"breast","MDAMB415","breast",NA,NA,NA,NA,"CVCL_0621","MDAMB415_903_2019","MDA-MB-415","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000876",NA,NA,NA,NA
+"1099","MDA-MB-435","Skin","MDA-MB-435","MDA-MB-435S","MDAMB435","MDAMB435","MDA-MB-435",NA,NA,NA,"MDA-MB-435S","MDA-MB-435S",NA,NA,"MDAMB435S","MDA-MB-435",NA,"MDA-MB-435///ME.MDA.MB.435",NA,"haematopoietic_and_lymphoid_tissue","skin","skin","haematopoietic_and_lymphoid_tissue","Skin",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","skin",NA,NA,"MDAMB435S","skin",NA,NA,"Melanoma",NA,"CVCL_0417","MDAMB435_904_2019",NA,"haematopoietic_and_lymphoid_tissue","Amelanotic melanoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1100","MDA-MB-435S","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MDA-MB-435S","MDAMB435S_SKIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Breast Cancer","skin","CVCL_0622","MDA-MB-435S11012021_",NA,NA,NA,NA,NA,"ACH-000884",NA,NA,NA,NA
+"1101","MDA-MB-436","Breast",NA,"MDA-MB-436",NA,"MDAMB436","MDA-MB-436",NA,"MDA-MB-436",NA,"MDA-MB-436","MDA-MB-436","MDA-MB-436","mdamb436///mda436",NA,"MDA-MB-436","MDA-MB-436",NA,"MDAMB436_BREAST",NA,"breast",NA,"breast","Breast",NA,"breast","breast",NA,"7-mda436///MDA436","breast","breast",NA,"Breast","breast",NA,NA,"MDAMB436","breast",NA,"breast","CVCL_0623","MDAMB436_905_2019","MDA-MB-436","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000573",NA,NA,NA,NA
+"1102","MDA-MB-453","Breast","MDA-MB-453","MDA-MB-453","MDAMB453","MDAMB453","MDA-MB-453",NA,"MDA-MB-453",NA,"MDA-MB-453","MDA-MB-453","MDA-MB-453","mdamb453","MDAMB453","MDA-MB-453","MDA-MB-453",NA,NA,"breast","breast","breast","breast","Breast",NA,"Breast","breast","breast",NA,"breast","breast","breast","Breast","breast","MDAMB453","breast","MDAMB453","breast",NA,NA,"CVCL_0418","MDAMB453_906_2019","MDA-MB-453","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000910",NA,NA,NA,NA
+"1103","MDA-MB-468","Breast","MDA-MB-468","MDA-MB-468","MDAMB468","MDAMB468","MDA-MB-468",NA,"MDA-MB-468",NA,"MDA-MB-468","MDA-MB-468","MDA-MB-468","mdamb468///mda468","MDAMB468","MDA-MB-468","MDA-MB-468","MDA-MB-468","MDAMB468_BREAST","breast","breast","breast","breast","Breast",NA,"breast","breast","breast","10-mda468///MDA468","breast","breast","breast","Breast","breast","MDAMB468","breast","MDAMB468","breast","Breast Cancer","breast","CVCL_0419","MDAMB468_907_2019","MDA-MB-468","breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000849",NA,NA,NA,NA
+"1104","MDA-PCa-2b","Prostate",NA,"MDA PCa 2b",NA,NA,NA,NA,NA,NA,"MDA_PCa_2b","MDA_PCa_2b",NA,NA,NA,NA,NA,NA,NA,NA,"prostate",NA,NA,NA,NA,NA,"prostate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4748","MDAPCa2b_896_2019",NA,"prostate","Prostate carcinoma","Cancer cell line",TRUE,"ACH-000952",NA,NA,NA,NA
+"1105","MDST8","Bowel",NA,"MDST8",NA,NA,"MDST8","MDST8","MDST8","MDST8","MDST8","MDST8","MDST8",NA,"MDST8","MDST8","MDST8",NA,NA,NA,"large_intestine",NA,NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,"large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_2588","MDST8_908_2019","MDST8","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000935",NA,NA,NA,NA
+"1106","ME-1 [Human leukemia]","Myeloid",NA,"ME-1",NA,NA,"ME-1",NA,"ME-1",NA,"ME-1","ME-1","ME-1",NA,"ME1","ME-1","ME-1",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Bone Marrow",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2110","ME1_909_2019","ME-1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000439",NA,NA,NA,NA
+"1107","ME-180","Cervix","ME-180",NA,NA,NA,"ME-180",NA,"ME-180","ME-180",NA,NA,"ME-180",NA,NA,"ME-180","ME-180",NA,NA,"cervix",NA,NA,NA,"Cervix",NA,"Cervix",NA,"urogenital_system",NA,NA,"cervix",NA,"Cervix","cervix",NA,NA,NA,NA,NA,NA,"CVCL_1401","ME180_910_2019","ME-180","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001359",NA,NA,NA,NA
+"1108","ME:MDA_N","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MDA-N///ME.MDA.N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melanoma",NA,"CVCL_1910","ME:MDA_N11092021_",NA,"skin",NA,"Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1109","MEC-1","Lymphoid",NA,"MEC-1","MEC1",NA,NA,NA,"MEC-1",NA,"MEC-1","MEC-1",NA,NA,"MEC1",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1870","MEC1_911_2019",NA,"haematopoietic_and_lymphoid_tissue","Chronic lymphocytic leukemia","Cancer cell line",NA,"ACH-000405",NA,NA,NA,NA
+"1110","MEC-2","Lymphoid",NA,"MEC-2",NA,NA,NA,NA,"MEC-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1871","MEC2_912_2019",NA,"haematopoietic_and_lymphoid_tissue","Chronic lymphocytic leukemia","Cancer cell line",NA,"ACH-001121",NA,NA,NA,NA
+"1111","MEG-01","Myeloid","MEG-01","MEG-01","MEG01",NA,NA,NA,"MEG-01",NA,"MEG-01","MEG-01","MEG-01",NA,NA,NA,"MEG-01",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0425","MEG01_913_2019","MEG-01","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000072",NA,NA,NA,NA
+"1112","MES-SA","Uterus","MES-SA","MES-SA","MESSA",NA,NA,NA,"MES-SA",NA,"MES-SA","MES-SA","MES-SA",NA,"MESSA","MES-SA","MES-SA",NA,"MESSA_SOFT_TISSUE","endometrium","soft_tissue","uterus",NA,NA,NA,"Uterus","endometrium","urogenital_system",NA,NA,"endometrium","soft_tissue","Uterus","endometrium","MESSA","soft_tissue",NA,NA,NA,"uterus","CVCL_1404","MESSA_916_2019","MES-SA","endometrium","Uterine corpus sarcoma","Cancer cell line",NA,"ACH-000449",NA,NA,NA,NA
+"1113","MET-2B","Skin",NA,NA,NA,NA,NA,NA,"MET-2B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_VS57","MET2B_917_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-002388",NA,NA,NA,NA
+"1114","MEXF 514L","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MEXF 514L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melanoma",NA,"CVCL_D129","MEXF 514L11152021_",NA,NA,"Melanoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1115","MFE-280","Uterus","MFE-280","MFE-280",NA,NA,NA,NA,"MFE-280",NA,"MFE-280","MFE-280","MFE-280",NA,NA,NA,"MFE-280",NA,"MFE280_ENDOMETRIUM","endometrium","endometrium",NA,NA,NA,NA,"Uterus","endometrium","urogenital_system",NA,NA,"endometrium",NA,NA,"endometrium",NA,NA,NA,NA,NA,"uterus","CVCL_1405","MFE280_919_2019","MFE-280","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000192",NA,NA,NA,NA
+"1116","MFE-296","Uterus","MFE-296","MFE-296",NA,NA,NA,NA,"MFE-296",NA,"MFE-296","MFE-296","MFE-296",NA,"MFE296",NA,"MFE-296",NA,"MFE296_ENDOMETRIUM","endometrium","endometrium",NA,NA,NA,NA,"endometrium","endometrium",NA,NA,NA,"endometrium","endometrium",NA,"endometrium","MFE296","endometrium",NA,NA,NA,"uterus","CVCL_1406","MFE296_920_2019","MFE-296","endometrium","Endometrial adenocarcinoma","Cancer cell line",NA,"ACH-000879",NA,NA,NA,NA
+"1117","MFE-319","Uterus",NA,"MFE-319",NA,NA,NA,"MFE319","MFE-319",NA,"MFE-319","MFE-319","MFE-319",NA,"MFE319",NA,"MFE-319",NA,"MFE319_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,"ENDOMETRIUM","Uterus","endometrium",NA,NA,NA,"endometrium","endometrium",NA,"endometrium","MFE319","endometrium",NA,NA,NA,"uterus","CVCL_2112","MFE319_921_2019","MFE-319","endometrium","Endometrial adenosquamous carcinoma","Cancer cell line",NA,"ACH-000988",NA,NA,NA,NA
+"1118","MFH-ino","Soft Tissue","MFH-ino",NA,NA,NA,NA,NA,"MFH-ino","MFH-ino",NA,NA,"MFH-ino",NA,NA,NA,"MFH-ino",NA,NA,"soft_tissue",NA,NA,NA,NA,NA,"Misc",NA,"soft_tissue",NA,NA,"soft_tissue",NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1407","MFHino_922_2019","MFH-ino","soft_tissue","Undifferentiated pleomorphic sarcoma","Cancer cell line",NA,"ACH-002271",NA,NA,NA,NA
+"1119","MFM-223","Breast","MFM-223",NA,NA,"MFM223","MFM-223",NA,"MFM-223","MFM-223",NA,NA,"MFM-223","mfm223///mfn223",NA,"MFM-223","MFM-223",NA,NA,"breast",NA,NA,"breast","Breast",NA,"Breast",NA,"breast","MFM223///MFN223","breast","breast",NA,"Breast","breast",NA,NA,"MFM223","breast",NA,NA,"CVCL_1408","MFM223_923_2019","MFM-223","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001819",NA,NA,NA,NA
+"1120","MG-63","Bone","MG-63","MG-63","MG63",NA,"MG-63",NA,"MG-63",NA,"MG-63","MG-63","MG-63",NA,"MG63","MG-63","MG-63",NA,"MG63_BONE","bone","bone","bone",NA,"Bone",NA,"Bone","bone","bone",NA,NA,"bone","bone","Bone","bone","MG63","bone",NA,NA,NA,"bone","CVCL_0426","MG63_924_2019","MG-63","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000359",NA,NA,NA,NA
+"1121","MHH-CALL-2","Lymphoid","MHH-CALL-2","MHH-CALL-2",NA,NA,NA,NA,"MHH-CALL-2",NA,"MHH-CALL-2","MHH-CALL-2","MHH-CALL-2",NA,NA,NA,"MHH-CALL-2",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1409","MHHCALL2_925_2019","MHH-CALL-2","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000020",NA,NA,NA,NA
+"1122","MHH-CALL-3","Lymphoid",NA,"MHH-CALL-3",NA,NA,NA,NA,NA,NA,"MHH-CALL-3","MHH-CALL-3",NA,NA,"MHHCALL3",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0089","MHHCALL3_926_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000032",NA,NA,NA,NA
+"1123","MHH-CALL-4","Lymphoid","MHH-CALL-4","MHH-CALL-4",NA,NA,NA,NA,"MHH-CALL-4",NA,"MHH-CALL-4","MHH-CALL-4","MHH-CALL-4",NA,"MHHCALL4",NA,"MHH-CALL-4",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1410","MHHCALL4_927_2019","MHH-CALL-4","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000156",NA,NA,NA,NA
+"1124","MHH-ES-1","Bone","MHH-ES-1","MHH-ES-1",NA,NA,"MHH-ES-1",NA,NA,NA,"MHH-ES-1","MHH-ES-1","MHH-ES-1",NA,"MHHES1","MHH-ES-1","MHH-ES-1",NA,"MHHES1_BONE","bone","bone",NA,NA,"Bone",NA,NA,"bone","bone",NA,NA,"bone","bone","Bone","bone","MHHES1","bone",NA,NA,NA,"bone","CVCL_1411","MHHES1_928_2019","MHH-ES-1","bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-000391",NA,NA,NA,NA
+"1125","MHH-NB-11","Peripheral Nervous System","MHH-NB-11","MHH-NB-11",NA,NA,"MHH-NB-11",NA,"MHH-NB-11",NA,"MHH-NB-11","MHH-NB-11","MHH-NB-11",NA,"MHHNB11","MHH-NB-11","MHH-NB-11",NA,NA,"autonomic_ganglia","autonomic_ganglia",NA,NA,"Brain",NA,"autonomic_ganglia","autonomic_ganglia","nervous_system",NA,NA,"autonomic_ganglia","autonomic_ganglia",NA,"autonomic_ganglia","MHHNB11","autonomic_ganglia",NA,NA,NA,NA,"CVCL_1412","MHHNB11_929_2019","MHH-NB-11","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000078",NA,NA,NA,NA
+"1126","MHH-PREB-1","Lymphoid","MHH-PREB-1",NA,"MHHPREB1",NA,"MHH-PREB-1",NA,"MHH-PREB-1","MHH-PREB-1",NA,NA,"MHH-PREB-1",NA,NA,"MHH-PREB-1","MHH-PREB-1",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,"Lymph Node",NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1413","MHHPREB1_930_2019","MHH-PREB-1","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-002272",NA,NA,NA,NA
+"1127","MHM","Bone",NA,NA,NA,NA,NA,NA,NA,"MHM",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_B426","MHM11282021_",NA,"bone","Osteosarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1128","MIA PaCa-2","Pancreas","MIA-PaCa-2","MIA PaCa-2","MIAPACA2",NA,"MIA Paca-2",NA,"MIA-PaCa-2",NA,"MIA_PaCa-2","MIA_PaCa-2","MIA-PaCa-2",NA,"MIAPACA2","MIA Paca-2","MIA-PaCa-2",NA,"MIAPACA2_PANCREAS","pancreas","pancreas","pancreas",NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","MIAPaCa2","pancreas",NA,NA,NA,"pancreas","CVCL_0428","MIAPaCa2_931_2019","MIA-PaCa-2","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000601",NA,NA,NA,NA
+"1129","MJ","Lymphoid","MJ","MJ","MJ",NA,NA,NA,NA,NA,"MJ","MJ",NA,NA,"MJ",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1414","MJ_933_2019",NA,"haematopoietic_and_lymphoid_tissue","Cutaneous T-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-000077",NA,NA,NA,NA
+"1130","MKL-1","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2600","MKL-111312021_",NA,NA,NA,NA,NA,"ACH-001122",NA,NA,NA,NA
+"1131","MKL-1 subclone 2","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_EQ71","MKL1subclone2_934_2019",NA,"skin","Merkel cell carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1132","MKL-2","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_D027","MKL2_935_2019",NA,"skin","Merkel cell carcinoma","Cancer cell line",NA,"ACH-001123",NA,NA,NA,NA
+"1133","MKN1","Esophagus/Stomach","MKN1","MKN1",NA,NA,"MKN-1",NA,"MKN1",NA,"MKN1","MKN1","MKN1",NA,"MKN1","MKN-1","MKN1",NA,"MKN1_STOMACH","stomach","stomach",NA,NA,"Stomach",NA,"Stomach","stomach","digestive_system",NA,NA,"stomach","stomach","Stomach","stomach",NA,NA,NA,NA,NA,"gastric","CVCL_1415","MKN1_936_2019","MKN1","stomach","Gastric adenosquamous carcinoma","Cancer cell line",TRUE,"ACH-000351",NA,NA,NA,NA
+"1134","MKN28","Esophagus/Stomach","MKN28",NA,NA,NA,NA,NA,"MKN28","MKN28",NA,NA,"MKN28",NA,NA,NA,"MKN28",NA,NA,"stomach",NA,NA,NA,NA,NA,"Stomach",NA,"digestive_system",NA,NA,"stomach",NA,NA,"stomach",NA,NA,NA,NA,NA,NA,"CVCL_1416","MKN28_937_2019","MKN28","stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-002161",NA,NA,NA,NA
+"1135","MKN45","Esophagus/Stomach","MKN45","MKN-45",NA,NA,"MKN-45",NA,"MKN45",NA,"MKN-45","MKN-45","MKN45",NA,"MKN45","MKN-45","MKN45",NA,"MKN45_STOMACH","stomach","stomach",NA,NA,"Stomach",NA,"Stomach","stomach","digestive_system",NA,NA,"stomach","stomach","Stomach","stomach","MKN45","stomach",NA,NA,NA,"gastric","CVCL_0434","MKN45_938_2019","MKN45","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000356",NA,NA,NA,NA
+"1136","MKN7","Esophagus/Stomach","MKN7","MKN7",NA,NA,"MKN-7","MKN7","MKN7",NA,"MKN7","MKN7","MKN7",NA,"MKN7","MKN-7","MKN7",NA,"MKN7_STOMACH","stomach","stomach",NA,NA,"Stomach","STOMACH","Stomach","stomach","digestive_system",NA,NA,"stomach","stomach",NA,"stomach","MKN7","stomach",NA,NA,NA,"gastric","CVCL_1417","MKN7_939_2019","MKN7","stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-000678",NA,NA,NA,NA
+"1137","MKN74","Esophagus/Stomach",NA,"MKN74",NA,NA,"MKN-74","MKN74",NA,NA,"MKN74","MKN74",NA,NA,"MKN74","MKN-74",NA,NA,"MKN74_STOMACH",NA,"stomach",NA,NA,"Stomach","STOMACH",NA,"stomach",NA,NA,NA,"stomach","stomach","Stomach",NA,"MKN74","stomach",NA,NA,NA,"gastric","CVCL_2791","MKN74_940_2019",NA,"stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-000758",NA,NA,NA,NA
+"1138","ML-1 [Human thyroid carcinoma]","Thyroid",NA,"ML-1",NA,NA,NA,NA,"ML-1",NA,"ML-1","ML-1","ML-1",NA,"ML1",NA,"ML-1",NA,NA,NA,"thyroid",NA,NA,NA,NA,"Thyroid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","thyroid",NA,"haematopoietic_and_lymphoid_tissue","ML1","thyroid",NA,NA,NA,NA,"CVCL_H525","ML1_941_2019","ML-1","haematopoietic_and_lymphoid_tissue","Thyroid gland follicular carcinoma","Cancer cell line",NA,"ACH-000058",NA,NA,NA,NA
+"1139","ML-2","Myeloid","ML-2",NA,"ML2",NA,"ML-2",NA,"ML-2","ML-2",NA,NA,"ML-2",NA,NA,"ML-2","ML-2",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,"Bone Marrow",NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"Bone Marrow","haematopoietic_and_lymphoid_tissue",NA,NA,"ML2","blood",NA,NA,"CVCL_1418","ML2_942_2019","ML-2","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-002273",NA,NA,NA,NA
+"1140","MLI-019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MLI-019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Non-Small Cell Lung Cancer",NA,NA,"MLI-01911412021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1141","MLI-045",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MLI-045",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Non-Small Cell Lung Cancer",NA,NA,"MLI-04511422021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1142","MLI-059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MLI-059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"MLI-05911432021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1143","MLI-076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MLI-076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Non-Small Cell Lung Cancer",NA,NA,"MLI-07611442021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1144","MLMA","Lymphoid","MLMA",NA,NA,NA,NA,NA,"MLMA","MLMA",NA,NA,"MLMA",NA,NA,NA,"MLMA",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1419","MLMA_943_2019","MLMA","haematopoietic_and_lymphoid_tissue","Hairy cell leukemia","Cancer cell line",NA,"ACH-002274",NA,NA,NA,NA
+"1145","MM1.S","Lymphoid",NA,"MM1-S",NA,NA,"MM.1S",NA,"MM1S",NA,"MM1-S","MM1-S","MM1S",NA,"MM1S","MM.1S","MM1S",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_8792","MM1S_944_2019","MM1S","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000763",NA,NA,NA,NA
+"1146","MM127","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2601","MM12711472021_",NA,NA,NA,NA,NA,"ACH-001563",NA,NA,NA,NA
+"1147","MM1610113","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MM161011311482021_",NA,NA,NA,NA,NA,"ACH-002512",NA,NA,NA,NA
+"1148","MM253","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2604","MM25311492021_",NA,NA,NA,NA,NA,"ACH-001970",NA,NA,NA,NA
+"1149","MM370","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2605","MM37011502021_",NA,NA,NA,NA,NA,"ACH-001566",NA,NA,NA,NA
+"1150","MM383","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2606","MM38311512021_",NA,NA,NA,NA,NA,"ACH-001567",NA,NA,NA,NA
+"1151","MM386","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2607","MM38611522021_",NA,NA,NA,NA,NA,"ACH-001568",NA,NA,NA,NA
+"1152","MM415","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2608","MM41511532021_",NA,NA,NA,NA,NA,"ACH-001569",NA,NA,NA,NA
+"1153","MM426","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2609","MM42611542021_",NA,NA,NA,NA,NA,"ACH-001570",NA,NA,NA,NA
+"1154","MM485","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2610","MM48511552021_",NA,NA,NA,NA,NA,"ACH-001973",NA,NA,NA,NA
+"1155","MMAc-SF","Skin","MMAC-SF",NA,NA,NA,NA,NA,"MMAC-SF","MMAC-SF",NA,NA,"MMAC-SF///MMAc-SF",NA,NA,NA,"MMAC-SF",NA,NA,"skin",NA,NA,NA,NA,NA,"Skin",NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1420","MMACSF_945_2019","MMAC-SF","skin","Melanoma","Cancer cell line",NA,"ACH-002162",NA,NA,NA,NA
+"1156","MN-60","Lymphoid","MN-60",NA,NA,NA,NA,NA,"MN-60","MN-60",NA,NA,"MN-60",NA,NA,NA,"MN-60",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1421","MN60_946_2019","MN-60","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-002275",NA,NA,NA,NA
+"1157","MOG-G-CCM","CNS/Brain","MOG-G-CCM","MOG-G-CCM",NA,NA,NA,NA,"MOG-G-CCM","MOG-G-CCM",NA,NA,"MOG-G-CCM",NA,NA,NA,"MOG-G-CCM",NA,NA,"central_nervous_system","central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_2613","MOGGCCM_948_2019","MOG-G-CCM","central_nervous_system","Anaplastic astrocytoma","Cancer cell line",NA,"ACH-001125",NA,NA,NA,NA
+"1158","MOG-G-UVW","CNS/Brain","MOG-G-UVW","MOG-G-UVW",NA,NA,NA,NA,"MOG-G-UVW","MOG-G-UVW",NA,NA,"MOG-G-UVW",NA,NA,NA,"MOG-G-UVW",NA,NA,"central_nervous_system","central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_2614","MOGGUVW_949_2019","MOG-G-UVW","central_nervous_system","Anaplastic astrocytoma","Cancer cell line",NA,"ACH-001126",NA,NA,NA,NA
+"1159","MOLM-1","Myeloid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2118","MOLM-111602021_",NA,NA,NA,NA,NA,"ACH-001573",NA,NA,NA,NA
+"1160","MOLM-13","Myeloid",NA,"MOLM-13",NA,NA,NA,NA,"MOLM-13",NA,"MOLM-13","MOLM-13","MOLM-13",NA,"MOLM13","MOLM-13","MOLM-13",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2119","MOLM13_950_2019","MOLM-13","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000362",NA,NA,NA,NA
+"1161","MOLM-14","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7916","MOLM-1411622021_",NA,NA,NA,NA,NA,"ACH-001574",NA,NA,NA,NA
+"1162","MOLM-16","Myeloid",NA,"MOLM-16",NA,NA,"MOLM-16","MOLM16","MOLM-16",NA,"MOLM-16","MOLM-16","MOLM-16",NA,"MOLM16","MOLM-16","MOLM-16",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2120","MOLM16_951_2019","MOLM-16","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000369",NA,NA,NA,NA
+"1163","MOLM-6","Myeloid",NA,"MOLM-6",NA,NA,NA,NA,NA,NA,"MOLM-6","MOLM-6",NA,NA,"MOLM6",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2122","MOLM6_952_2019",NA,"haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000321",NA,NA,NA,NA
+"1164","MOLP-2","Lymphoid",NA,"MOLP-2",NA,NA,"MOLP-2",NA,NA,NA,"MOLP-2","MOLP-2",NA,NA,"MOLP2","MOLP-2",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2123","MOLP2_953_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000453",NA,NA,NA,NA
+"1165","MOLP-8","Lymphoid",NA,"MOLP-8",NA,NA,"MOLP-8",NA,"MOLP-8",NA,"MOLP-8","MOLP-8","MOLP-8",NA,"MOLP8","MOLP-8","MOLP-8",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2124","MOLP8_954_2019","MOLP-8","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000745",NA,NA,NA,NA
+"1166","MOLT-13","Lymphoid","MOLT-13","MOLT-13",NA,NA,NA,NA,"MOLT-13",NA,"MOLT-13","MOLT-13","MOLT-13",NA,"MOLT13",NA,"MOLT-13",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1422","MOLT13_955_2019","MOLT-13","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000795",NA,NA,NA,NA
+"1167","MOLT-16","Lymphoid","MOLT-16","MOLT-16","MOLT16",NA,NA,NA,"MOLT-16",NA,"MOLT-16","MOLT-16","MOLT-16",NA,"MOLT16",NA,"MOLT-16",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1424","MOLT16_956_2019","MOLT-16","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000918",NA,NA,NA,NA
+"1168","MOLT-3","Lymphoid",NA,"MOLT-3",NA,NA,NA,NA,NA,NA,"MOLT-3","MOLT-3",NA,NA,"MOLT3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0624","MOLT3_957_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000964",NA,NA,NA,NA
+"1169","MOLT-4","Lymphoid","MOLT-4","MOLT-4","MOLT4",NA,NA,NA,"MOLT-4","MOLT-4",NA,NA,"MOLT-4",NA,NA,NA,"MOLT-4","MOLT-4///LE.MOLT.4",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Leukemia",NA,"CVCL_0013","MOLT4_958_2019","MOLT-4","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-001127",NA,NA,NA,NA
+"1170","MON","Other",NA,"MON",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MON_SOFT_TISSUE",NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rhabdoid","CVCL_M846","MON11712021_",NA,"soft_tissue",NA,"Cancer cell line",NA,"ACH-001128",NA,NA,NA,NA
+"1171","MOR","Lung",NA,NA,NA,NA,"MOR",NA,NA,NA,NA,NA,NA,NA,NA,"MOR",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2618","MOR_961_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1172","MOR/CPR","Lung",NA,"MOR/CPR",NA,NA,NA,NA,NA,NA,"MOR_CPR","MOR_CPR",NA,NA,"MORCPR",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"MORCPR","lung",NA,NA,NA,NA,"CVCL_2620","MOR/CPR_962_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000851",NA,NA,NA,NA
+"1173","MOTN-1","Lymphoid",NA,"MOTN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MOTN1",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2127","MOTN1_963_2019",NA,"haematopoietic_and_lymphoid_tissue","T-cell large granular lymphocyte leukemia","Cancer cell line",NA,"ACH-001130",NA,NA,NA,NA
+"1174","MP46","Eye",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4D13","MP4611752021_",NA,NA,NA,NA,NA,"ACH-002011",NA,NA,NA,NA
+"1175","MPP 89","Pleura","MPP-89","MPP 89",NA,NA,NA,NA,"MPP-89",NA,"MPP_89","MPP_89","MPP-89",NA,"MPP89",NA,"MPP-89",NA,"MPP89_PLEURA","pleura","pleura",NA,NA,NA,NA,"Lung","pleura","lung",NA,NA,"pleura","pleura",NA,"pleura","MPP89","pleura",NA,NA,NA,"mesothelioma","CVCL_1427","MPP89_964_2019","MPP-89","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000319",NA,NA,NA,NA
+"1176","MRK-nu-1","Breast","MRK-nu-1",NA,NA,NA,NA,NA,"MRK-nu-1","MRK-nu-1",NA,NA,"MRK-nu-1",NA,NA,NA,"MRK-nu-1",NA,NA,"breast",NA,NA,NA,NA,NA,"Breast",NA,"breast",NA,NA,"breast",NA,NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_1428","MRKnu1_965_2019","MRK-nu-1","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-002163",NA,NA,NA,NA
+"1177","MS-1 [Human Merkel cell carcinoma]","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E995","MS-1 [Human Merkel cell carcinoma]11782021_",NA,NA,NA,NA,NA,"ACH-001131",NA,NA,NA,NA
+"1178","MS-1 [Human lung carcinoma]","Lung","MS-1",NA,NA,NA,NA,NA,"MS-1","MS-1",NA,NA,"MS-1",NA,NA,NA,"MS-1",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1429","MS1_966_2019","MS-1","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001958",NA,NA,NA,NA
+"1179","MS751","Cervix",NA,NA,NA,NA,"MS751",NA,"MS751","MS751",NA,NA,"MS751",NA,NA,"MS751","MS751",NA,NA,NA,NA,NA,NA,"Cervix",NA,"Cervix",NA,NA,NA,NA,"cervix",NA,NA,"cervix",NA,NA,NA,NA,NA,NA,"CVCL_4996","MS751_967_2019","MS751","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001360",NA,NA,NA,NA
+"1180","MSTO-211H","Pleura","MSTO-211H","MSTO-211H",NA,NA,NA,"MSTO211H","MSTO-211H",NA,"MSTO-211H","MSTO-211H","MSTO-211H",NA,"MSTO211H",NA,"MSTO-211H",NA,"MSTO211H_PLEURA","pleura","pleura",NA,NA,NA,"PLEURA","pleura","pleura","lung",NA,NA,"pleura","pleura",NA,"pleura",NA,NA,NA,NA,NA,"mesothelioma","CVCL_1430","MSTO211H_968_2019","MSTO-211H","pleura","Pleural biphasic mesothelioma","Cancer cell line",NA,"ACH-000335",NA,NA,NA,NA
+"1181","MT-3 [Human contaminated breast cancer]","Bowel",NA,NA,"MT3","MT3","MT-3",NA,NA,NA,NA,NA,NA,NA,NA,"MT3",NA,NA,NA,NA,NA,"breast","breast","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2129","MT3_969_2019",NA,"breast","Colon adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1182","MTA","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3032","MTA11832021_",NA,NA,NA,NA,NA,"ACH-001132",NA,NA,NA,NA
+"1183","MUG-Chor1","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_9277","MUG-Chor111842021_",NA,NA,NA,NA,NA,"ACH-001956",NA,NA,NA,NA
+"1184","MUTZ-1","Lymphoid","MUTZ-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MUTZ-111852021_",NA,"haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma",NA,NA,NA,NA,NA,NA,NA
+"1185","MUTZ-3","Lymphoid",NA,"MUTZ-3",NA,NA,NA,NA,NA,NA,"MUTZ-3","MUTZ-3",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1433","MUTZ3_970_2019",NA,"haematopoietic_and_lymphoid_tissue","Acute myeloid leukemia with inv(3) (q21.3","Cancer cell line",NA,"ACH-000084",NA,NA,NA,NA
+"1186","MUTZ-5","Lymphoid",NA,"MUTZ-5",NA,NA,NA,NA,NA,NA,"MUTZ-5","MUTZ-5",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1873","MUTZ5_971_2019",NA,"haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000492",NA,NA,NA,NA
+"1187","MUTZ-8","Myeloid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2130","MUTZ-811882021_",NA,NA,NA,NA,NA,"ACH-001577",NA,NA,NA,NA
+"1188","MV-522","Bowel",NA,NA,"MV522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MV-52211892021_",NA,"lung","Colon adenocarcinoma",NA,NA,NA,NA,NA,NA,NA
+"1189","MV4-11","Myeloid","MV-4-11","MV-4-11","MV411",NA,"MV-4-11",NA,"MV-4-11",NA,"MV-4-11","MV-4-11","MV-4-11",NA,"MV411","MV-4-11","MV-4-11",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,"MV411","blood",NA,NA,"CVCL_0064","MV411_972_2019","MV-4-11","haematopoietic_and_lymphoid_tissue","Childhood acute monocytic leukemia","Cancer cell line",NA,"ACH-000045",NA,NA,NA,NA
+"1190","MX-1","Breast",NA,NA,"MX1","MX1","MX-1",NA,NA,NA,NA,NA,NA,"mx1",NA,"MX-1",NA,NA,NA,NA,NA,"breast","breast","Breast",NA,NA,NA,NA,"MX1","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4774","MX1_973_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-002328",NA,NA,NA,NA
+"1191","MY-M12","Other",NA,NA,NA,NA,NA,NA,NA,"MY-M12",NA,NA,"MY-M12",NA,NA,NA,"MY-M12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3035","MYM12_974_2019","MY-M12","haematopoietic_and_lymphoid_tissue","Acute biphenotypic leukemia","Cancer cell line",NA,"ACH-002276",NA,NA,NA,NA
+"1192","MYLA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MYLA11932021_",NA,NA,NA,NA,NA,"ACH-001134",NA,NA,NA,NA
+"1193","MZ-1-EBV-B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU73","MZ-1-EBV-B11942021_",NA,NA,NA,NA,NA,"ACH-002360",NA,NA,NA,NA
+"1194","MZ-7-EBV-B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU72","MZ-7-EBV-B11952021_",NA,NA,NA,NA,NA,"ACH-002361",NA,NA,NA,NA
+"1195","MZ-MEL-2","Skin","MZ2-MEL",NA,NA,NA,NA,NA,"MZ2-MEL","MZ2-MEL",NA,NA,"MZ2-MEL",NA,NA,NA,"MZ2-MEL",NA,NA,"skin",NA,NA,NA,NA,NA,"Skin",NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1435","MZ2MEL_976_2019","MZ2-MEL","skin","Melanoma","Cancer cell line",NA,"ACH-002165","MZ2-MEL","Skin",NA,NA
+"1196","MZ-MEL-7","Skin","MZ7-mel",NA,NA,NA,NA,NA,"MZ7-mel","MZ7-mel",NA,NA,"MZ7-mel",NA,NA,NA,"MZ7-mel",NA,NA,"skin",NA,NA,NA,NA,NA,"Skin",NA,"skin",NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1436","MZ7mel_977_2019","MZ7-mel","skin","Melanoma","Cancer cell line",TRUE,"ACH-002166",NA,NA,NA,NA
+"1197","MZ-PC-1","Pancreas","MZ1-PC",NA,NA,NA,NA,NA,"MZ1-PC","MZ1-PC",NA,NA,"MZ1-PC",NA,NA,NA,"MZ1-PC",NA,NA,"pancreas",NA,NA,NA,NA,NA,"Pancreas",NA,"pancreas",NA,NA,"pancreas",NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,"CVCL_1434","MZ1PC_975_2019","MZ1-PC","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-002164",NA,NA,NA,NA
+"1198","Mac-2A","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_H637","Mac-2A11992021_",NA,NA,NA,NA,NA,"ACH-001119",NA,NA,NA,NA
+"1199","Malme-3M","Skin","Malme-3M","Malme-3M","MALME3M",NA,NA,NA,NA,NA,"Malme-3M","Malme-3M",NA,NA,"MALME3M","Malme-3M",NA,"MALME-3M///ME.MALME.3M","MALME3M_SKIN","haematopoietic_and_lymphoid_tissue","skin","skin",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","skin","Skin",NA,NA,NA,NA,NA,"Melanoma","skin","CVCL_1438","Malme3M_882_2019",NA,"haematopoietic_and_lymphoid_tissue","Melanoma","Cancer cell line",TRUE,"ACH-000477",NA,NA,NA,NA
+"1200","Mar Bel","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mar-Bel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fibroblast",NA,"CVCL_G291","Mar Bel12012021_",NA,NA,NA,"Finite cell line",NA,NA,NA,NA,NA,NA
+"1201","MeWo","Skin","Mewo","MeWo",NA,NA,"MeWo",NA,"Mewo",NA,"MeWo","MeWo","Mewo",NA,"MEWO","MeWo","Mewo",NA,"MEWO_SKIN","skin","skin",NA,NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin","MEWO","skin",NA,NA,NA,"skin","CVCL_0445","Mewo_918_2019","Mewo","skin","Cutaneous melanoma","Cancer cell line",TRUE,"ACH-000987","MeWo","Skin",NA,NA
+"1202","Mel 928","Skin",NA,NA,NA,NA,"928 mel",NA,NA,NA,NA,NA,NA,NA,NA,"928 mel",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_C694","928mel_33_2019",NA,"skin","Melanoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1203","Mel Ho","Skin","MEL-HO","MEL-HO",NA,NA,"MEL-HO",NA,"MEL-HO",NA,"MEL-HO","MEL-HO","MEL-HO",NA,"MELHO","MEL-HO","MEL-HO",NA,"MELHO_SKIN","skin","skin",NA,NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin","MELHO","skin",NA,NA,NA,"skin","CVCL_1402","MELHO_914_2019","MEL-HO","skin","Melanoma","Cancer cell line",NA,"ACH-000450","MEL-HO","Skin",NA,NA
+"1204","Mel JuSo","Skin","MEL-JUSO","MEL-JUSO",NA,NA,NA,NA,"MEL-JUSO",NA,"MEL-JUSO","MEL-JUSO","MEL-JUSO",NA,"MELJUSO","MEL-JUSO","MEL-JUSO",NA,"MELJUSO_SKIN","skin","skin",NA,NA,NA,NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin",NA,NA,NA,NA,NA,"skin","CVCL_1403","MELJUSO_915_2019","MEL-JUSO","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000881",NA,NA,NA,NA
+"1205","Mel202","Eye",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_C301","Mel20212062021_",NA,NA,NA,NA,NA,"ACH-001554",NA,NA,NA,NA
+"1206","Mel285","Eye",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_C303","Mel28512072021_",NA,NA,NA,NA,NA,"ACH-002015",NA,NA,NA,NA
+"1207","Mel290","Eye",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_C304","Mel29012082021_",NA,NA,NA,NA,NA,"ACH-002016",NA,NA,NA,NA
+"1208","Mel501A","Skin",NA,NA,NA,NA,"501A",NA,NA,NA,NA,NA,NA,NA,NA,"501A",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0V14","501A_18_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1209","Mero-14","Pleura",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2590","Mero-1412102021_",NA,NA,NA,NA,NA,"ACH-001555",NA,NA,NA,NA
+"1210","Mero-25","Pleura",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2591","Mero-2512112021_",NA,NA,NA,NA,NA,"ACH-001556",NA,NA,NA,NA
+"1211","Mero-41","Pleura",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2592","Mero-4112122021_",NA,NA,NA,NA,NA,"ACH-001557",NA,NA,NA,NA
+"1212","Mero-48a","Pleura",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2593","Mero-48a12132021_",NA,NA,NA,NA,NA,"ACH-001558",NA,NA,NA,NA
+"1213","Mero-82","Pleura",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2594","Mero-8212142021_",NA,NA,NA,NA,NA,"ACH-001559",NA,NA,NA,NA
+"1214","Mero-83","Pleura",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2595","Mero-8312152021_",NA,NA,NA,NA,NA,"ACH-001560",NA,NA,NA,NA
+"1215","Mero-84","Pleura",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2596","Mero-8412162021_",NA,NA,NA,NA,NA,"ACH-001561",NA,NA,NA,NA
+"1216","Mero-95","Pleura",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2597","Mero-9512172021_",NA,NA,NA,NA,NA,"ACH-001562",NA,NA,NA,NA
+"1217","Mino","Lymphoid",NA,"Mino",NA,NA,NA,NA,NA,NA,"Mino","Mino",NA,NA,"MINO",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1872","Mino_932_2019",NA,"haematopoietic_and_lymphoid_tissue","Mantle cell lymphoma","Cancer cell line",NA,"ACH-000220",NA,NA,NA,NA
+"1218","Mo","Lymphoid","Mo-T",NA,NA,NA,NA,NA,"Mo-T///Mo","Mo-T",NA,NA,"Mo-T",NA,NA,NA,"Mo-T",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1439","MoT_947_2019","Mo-T","haematopoietic_and_lymphoid_tissue","Hairy cell leukemia","Cancer cell line",NA,"ACH-002339",NA,NA,NA,NA
+"1219","Mono-Mac-1","Myeloid",NA,"MONO-MAC-1",NA,NA,NA,NA,"MONO-MAC-1",NA,"MONO-MAC-1","MONO-MAC-1",NA,NA,"MONOMAC1",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"MONOMAC1","blood",NA,NA,"CVCL_1425","MONOMAC1_959_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult acute monocytic leukemia","Cancer cell line",NA,"ACH-001129",NA,NA,NA,NA
+"1220","Mono-Mac-6","Myeloid","MONO-MAC-6","MONO-MAC-6",NA,NA,NA,NA,"MONO-MAC-6",NA,"MONO-MAC-6","MONO-MAC-6","MONO-MAC-6",NA,"MONOMAC6",NA,"MONO-MAC-6",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"MONOMAC6","blood",NA,NA,"CVCL_1426","MONOMAC6_960_2019","MONO-MAC-6","haematopoietic_and_lymphoid_tissue","Adult acute monocytic leukemia","Cancer cell line",NA,"ACH-000006",NA,NA,NA,NA
+"1221","NALM-1","Myeloid","NALM-1","NALM-1","NALM1",NA,NA,NA,NA,NA,"NALM-1","NALM-1",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0091","NALM1_978_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000462",NA,NA,NA,NA
+"1222","NALM-16","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1834","NALM-1612232021_",NA,NA,NA,NA,NA,"ACH-001993",NA,NA,NA,NA
+"1223","NALM-19","Lymphoid",NA,"NALM-19",NA,NA,NA,NA,NA,NA,"NALM-19","NALM-19",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1835","NALM19_979_2019",NA,"haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000130",NA,NA,NA,NA
+"1224","NALM-6","Lymphoid","NALM-6","NALM-6","NALM6",NA,"NALM-6",NA,"NALM-6",NA,"NALM-6","NALM-6","NALM-6",NA,"NALM6","NALM-6","NALM-6",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0092","NALM6_980_2019","NALM-6","haematopoietic_and_lymphoid_tissue","Adult B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000938",NA,NA,NA,NA
+"1225","NB(TU)1","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,"NB-TU-1-10","NB-TU-1-10",NA,NA,"NB_TU_1-10///NB(TU)1-10",NA,NA,"NB(TU)1-10","NB(TU)1-10",NA,NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,NA,NA,NA,"kidney///neuroblastoma",NA,NA,NA,NA,NA,NA,"CVCL_3041","NBTU110_982_2019","NB-TU-1-10","kidney","Neuroblastoma","Cancer cell line",NA,"ACH-002277",NA,NA,NA,NA
+"1226","NB-1643","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5627","NB-164312272021_",NA,NA,NA,NA,NA,"ACH-001303",NA,NA,NA,NA
+"1227","NB1","Peripheral Nervous System","NB1","NB-1",NA,NA,NA,NA,"NB1",NA,"NB-1","NB-1","NB1",NA,"NB1","NB-1","NB1",NA,"NB1_AUTONOMIC_GANGLIA","autonomic_ganglia","autonomic_ganglia",NA,NA,NA,NA,"autonomic_ganglia","autonomic_ganglia","nervous_system",NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","NB1","autonomic_ganglia",NA,NA,NA,"peripheral_nervous_system","CVCL_1440","NB1_984_2019","NB1","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000804",NA,NA,NA,NA
+"1228","NB16","Peripheral Nervous System","NB16",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NB1612292021_",NA,"autonomic_ganglia","Neuroblastoma",NA,NA,NA,NA,NA,NA,NA
+"1229","NB4","Myeloid","NB4","NB-4",NA,NA,NA,NA,"NB4",NA,"NB-4","NB-4","NB-4///NB4",NA,"NB4","NB-4","NB-4","NB4",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Leukemia",NA,"CVCL_0005","NB4_990_2019","NB-4","haematopoietic_and_lymphoid_tissue","Acute promyelocytic leukemia with t(15","Cancer cell line",NA,"ACH-000294",NA,NA,NA,NA
+"1230","NB69","Peripheral Nervous System","NB69",NA,NA,NA,NA,NA,"NB69","NB69",NA,NA,"NB69",NA,NA,"NB69","NB69",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"Brain",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,"Brain","autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1448","NB69_993_2019","NB69","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002083",NA,NA,NA,NA
+"1231","NBsusSR","Peripheral Nervous System","NBsusSR",NA,NA,NA,NA,NA,"NBsusSR","NBsusSR",NA,NA,"NBsusSR",NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1450","NBsusSR_995_2019",NA,"autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002340",NA,NA,NA,NA
+"1232","NC-37","Lymphoid",NA,NA,"NC37",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC-3712332021_",NA,"haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma",NA,NA,NA,NA,NA,NA,NA
+"1233","NCC-IT","Testis",NA,NA,NA,NA,NA,NA,"NCCIT","NCCIT",NA,NA,"NCCIT",NA,NA,NA,"NCCIT",NA,NA,NA,NA,NA,NA,NA,NA,"testis",NA,NA,NA,NA,"testis",NA,NA,"testis",NA,NA,NA,NA,NA,NA,"CVCL_1451","NCCIT_999_2019","NCCIT","testis","Testicular embryonal carcinoma","Cancer cell line",NA,"ACH-001578",NA,NA,NA,NA
+"1234","NCC-IT-A3","Testis","NCCIT",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"testis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCC-IT-A312352021_",NA,"testis","Testicular embryonal carcinoma",NA,NA,NA,NA,NA,NA,NA
+"1235","NCC-StC-K140","Esophagus/Stomach",NA,"NCC-StC-K140",NA,NA,NA,NA,NA,NA,"NCC-StC-K140","NCC-StC-K140",NA,NA,"NCCSTCK140",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3055","NCCStCK140_996_2019",NA,"stomach","Gastric carcinoma","Cancer cell line",NA,"ACH-000110",NA,NA,NA,NA
+"1236","NCC010","Kidney",NA,NA,NA,NA,NA,NA,"NCC010","NCC010",NA,NA,"NCC010",NA,NA,NA,"NCC010",NA,NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,"CVCL_X505","NCC010_997_2019","NCC010","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002167",NA,NA,NA,NA
+"1237","NCC021","Kidney",NA,NA,NA,NA,NA,NA,"NCC021","NCC021",NA,NA,"NCC021",NA,NA,NA,"NCC021",NA,NA,NA,NA,NA,NA,NA,NA,"0",NA,NA,NA,NA,NA,NA,NA,"other",NA,NA,NA,NA,NA,NA,"CVCL_X506","NCC021_998_2019","NCC021","other","Renal cell carcinoma","Cancer cell line",NA,"ACH-002168",NA,NA,NA,NA
+"1238","NCE G-28T","CNS/Brain",NA,NA,NA,NA,"G28T",NA,NA,NA,NA,NA,NA,NA,NA,"G28T",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0V15","G28T_389_2019",NA,"brain","Gliosarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1239","NCE-G 111","CNS/Brain",NA,NA,NA,NA,"G111",NA,NA,NA,NA,NA,NA,NA,NA,"G111",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N739","G111_377_2019",NA,"brain","Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1240","NCE-G 112","CNS/Brain",NA,NA,NA,NA,"G112",NA,NA,NA,NA,NA,NA,NA,NA,"G112",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N740","G112_378_2019",NA,"brain","Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1241","NCE-G 118","CNS/Brain",NA,NA,NA,NA,"G118",NA,NA,NA,NA,NA,NA,NA,NA,"G118",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N741","G118_379_2019",NA,"brain","Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1242","NCE-G 120","CNS/Brain",NA,NA,NA,NA,"G120",NA,NA,NA,NA,NA,NA,NA,NA,"G120",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N742","G120_380_2019",NA,"brain","Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1243","NCE-G 121","CNS/Brain",NA,NA,NA,NA,"G121",NA,NA,NA,NA,NA,NA,NA,NA,"G121",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N743","G121_381_2019",NA,"brain","Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1244","NCE-G 122","CNS/Brain",NA,NA,NA,NA,"G122",NA,NA,NA,NA,NA,NA,NA,NA,"G122",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N744","G122_382_2019",NA,"brain","Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1245","NCE-G 124","CNS/Brain",NA,NA,NA,NA,"G124",NA,NA,NA,NA,NA,NA,NA,NA,"G124",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N746","G124_383_2019",NA,"brain","Anaplastic astrocytoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1246","NCE-G 130","CNS/Brain",NA,NA,NA,NA,"G130",NA,NA,NA,NA,NA,NA,NA,NA,"G130",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N747","G130_384_2019",NA,"brain","Anaplastic astrocytoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1247","NCE-G 140","CNS/Brain",NA,NA,NA,NA,"G140",NA,NA,NA,NA,NA,NA,NA,NA,"G140",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N748","G140_385_2019",NA,"brain","Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1248","NCE-G 141","CNS/Brain",NA,NA,NA,NA,"G141",NA,NA,NA,NA,NA,NA,NA,NA,"G141",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N749","G141_386_2019",NA,"brain","Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1249","NCE-G 142","CNS/Brain",NA,NA,NA,NA,"G142",NA,NA,NA,NA,NA,NA,NA,NA,"G142",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N750","G142_387_2019",NA,"brain","Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1250","NCE-G 22","CNS/Brain",NA,NA,NA,NA,"G22",NA,NA,NA,NA,NA,NA,NA,NA,"G22",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N723","G22_388_2019",NA,"brain","Anaplastic astrocytoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1251","NCE-G 44","CNS/Brain",NA,NA,NA,NA,"G44",NA,NA,NA,NA,NA,NA,NA,NA,"G44",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N727","G44_390_2019",NA,"brain","Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1252","NCE-G 59","CNS/Brain",NA,NA,NA,NA,"G59",NA,NA,NA,NA,NA,NA,NA,NA,"G59",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N729","G59_391_2019",NA,"brain","Anaplastic astrocytoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1253","NCE-G 61","CNS/Brain",NA,NA,NA,NA,"G61",NA,NA,NA,NA,NA,NA,NA,NA,"G61",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N731","G61_392_2019",NA,"brain","Anaplastic astrocytoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1254","NCE-G 84","CNS/Brain",NA,NA,NA,NA,"G84",NA,NA,NA,NA,NA,NA,NA,NA,"G84",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N735","G84_393_2019",NA,"brain","Anaplastic astrocytoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1255","NCE-G 96","CNS/Brain",NA,NA,NA,NA,"G96",NA,NA,NA,NA,NA,NA,NA,NA,"G96",NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_N736","G96_394_2019",NA,"brain","Anaplastic astrocytoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1256","NCI-ADR-RES","Ovary/Fallopian Tube","NCI-ADR-RES",NA,"NCIADRRES",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCI/ADR-RES///OV.NCI.ADR.RES",NA,"ovary",NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,"Ovarian Cancer",NA,NA,"NCI-ADR-RES12572021_",NA,"ovary","High grade ovarian serous adenocarcinoma",NA,NA,NA,NA,NA,NA,NA
+"1257","NCI-BL128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2636","NCI-BL12812582021_",NA,NA,NA,NA,NA,"ACH-002362",NA,NA,NA,NA
+"1258","NCI-BL1395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2638","NCI-BL139512592021_",NA,NA,NA,NA,NA,"ACH-002363",NA,NA,NA,NA
+"1259","NCI-BL1437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2639","NCI-BL143712602021_",NA,NA,NA,NA,NA,"ACH-002364",NA,NA,NA,NA
+"1260","NCI-BL1770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2644","NCI-BL177012612021_",NA,NA,NA,NA,NA,"ACH-002365",NA,NA,NA,NA
+"1261","NCI-BL2009",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2645","NCI-BL200912622021_",NA,NA,NA,NA,NA,"ACH-002366",NA,NA,NA,NA
+"1262","NCI-BL2052",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2647","NCI-BL205212632021_",NA,NA,NA,NA,NA,"ACH-002367",NA,NA,NA,NA
+"1263","NCI-BL2087",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2648","NCI-BL208712642021_",NA,NA,NA,NA,NA,"ACH-002368",NA,NA,NA,NA
+"1264","NCI-BL209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2649","NCI-BL20912652021_",NA,NA,NA,NA,NA,"ACH-002369",NA,NA,NA,NA
+"1265","NCI-BL2122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2651","NCI-BL212212662021_",NA,NA,NA,NA,NA,"ACH-002370",NA,NA,NA,NA
+"1266","NCI-BL2126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2652","NCI-BL212612672021_",NA,NA,NA,NA,NA,"ACH-002371",NA,NA,NA,NA
+"1267","NCI-BL2171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2654","NCI-BL217112682021_",NA,NA,NA,NA,NA,"ACH-002372",NA,NA,NA,NA
+"1268","NCI-H1048","Lung","NCI-H1048","NCI-H1048","NCIH1048",NA,"NCI-H1048","NCIH1048","NCI-H1048",NA,"NCI-H1048","NCI-H1048","NCI-H1048",NA,NA,"NCI-H1048","NCI-H1048",NA,"NCIH1048_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung",NA,NA,"lung","NCIH1048","lung",NA,NA,NA,"lung","CVCL_1453","NCIH1048_1000_2019","NCI-H1048","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000866",NA,NA,NA,NA
+"1269","NCI-H1092","Lung","NCI-H1092","NCI-H1092","NCIH1092",NA,"NCI-H1092",NA,"NCI-H1092",NA,"NCI-H1092","NCI-H1092","NCI-H1092",NA,"NCIH1092","NCI-H1092","NCI-H1092",NA,NA,"lung","lung","lung",NA,"Lung",NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1454","NCIH1092_1001_2019","NCI-H1092","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000514",NA,NA,NA,NA
+"1270","NCI-H1105","Lung","NCI-H1105","NCI-H1105",NA,NA,NA,"NCIH1105","NCI-H1105",NA,"NCI-H1105","NCI-H1105","NCI-H1105",NA,"NCIH1105",NA,"NCI-H1105",NA,NA,"lung","lung",NA,NA,NA,"LUNG","Lung","lung",NA,NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1455","NCIH1105_1002_2019","NCI-H1105","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000780",NA,NA,NA,NA
+"1271","NCI-H1155","Lung","NCI-H1155","NCI-H1155","NCIH1155",NA,"NCI-H1155",NA,"NCI-H1155",NA,"NCI-H1155","NCI-H1155","NCI-H1155",NA,"NCIH1155","NCI-H1155","NCI-H1155",NA,NA,"lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1456","NCIH1155_1003_2019","NCI-H1155","lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000980",NA,NA,NA,NA
+"1272","NCI-H1184","Lung",NA,"NCI-H1184",NA,NA,NA,NA,NA,NA,"NCI-H1184","NCI-H1184",NA,NA,"NCIH1184",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1458","NCIH1184_1004_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000523",NA,NA,NA,NA
+"1273","NCI-H128","Lung","NCI-H128",NA,NA,NA,NA,NA,NA,"NCI-H128",NA,NA,"NCI-H128",NA,NA,NA,"NCI-H128",NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1460","NCIH128_1005_2019","NCI-H128","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002286",NA,NA,NA,NA
+"1274","NCI-H1299","Lung","NCI-H1299","NCI-H1299","NCIH1299",NA,"NCI-H1299","NCIH1299","NCI-H1299",NA,"NCI-H1299","NCI-H1299","NCI-H1299",NA,"NCIH1299","NCI-H1299","NCI-H1299",NA,"NCIH1299_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH1299","lung",NA,NA,NA,"lung","CVCL_0060","NCIH1299_1006_2019","NCI-H1299","lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000510",NA,NA,NA,NA
+"1275","NCI-H1304","Lung","NCI-H1304",NA,NA,NA,NA,NA,"NCI-H1304","NCI-H1304",NA,NA,"NCI-H1304",NA,NA,NA,"NCI-H1304",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1462","NCIH1304_1007_2019","NCI-H1304","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-002169",NA,NA,NA,NA
+"1276","NCI-H1339","Lung",NA,"NCI-H1339",NA,NA,NA,NA,NA,NA,"NCI-H1339","NCI-H1339",NA,NA,"NCIH1339","NCI-H1339",NA,NA,"NCIH1339_LUNG",NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"lung","lung","Lung",NA,"NCIH1339","lung",NA,NA,NA,"lung","CVCL_A472","NCIH1339_1008_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000921",NA,NA,NA,NA
+"1277","NCI-H1341","Lung",NA,"NCI-H1341",NA,NA,NA,NA,"NCI-H1341",NA,"NCI-H1341","NCI-H1341","NCI-H1341",NA,"NCIH1341",NA,"NCI-H1341",NA,NA,NA,"lung",NA,NA,NA,NA,"Lung","lung",NA,NA,NA,"lung","lung",NA,"lung","NCIH1341","lung",NA,NA,NA,NA,"CVCL_1463","NCIH1341_1009_2019","NCI-H1341","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000129",NA,NA,NA,NA
+"1278","NCI-H1355","Lung","NCI-H1355","NCI-H1355","NCIH1355",NA,"NCI-H1355","NCIH1355","NCI-H1355",NA,"NCI-H1355","NCI-H1355","NCI-H1355",NA,"NCIH1355","NCI-H1355","NCI-H1355",NA,"NCIH1355_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH1355","lung",NA,NA,NA,"lung","CVCL_1464","NCIH1355_1010_2019","NCI-H1355","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000666",NA,NA,NA,NA
+"1279","NCI-H1373","Lung",NA,"NCI-H1373",NA,NA,"NCI-H1373","NCIH1373",NA,NA,"NCI-H1373",NA,NA,NA,"NCIH1373","NCI-H1373",NA,NA,"NCIH1373_LUNG",NA,"lung",NA,NA,"Lung","LUNG",NA,NA,NA,NA,NA,"lung","lung",NA,NA,"NCIH1373","lung",NA,NA,NA,"lung","CVCL_1465","NCIH1373_1011_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000845",NA,NA,NA,NA
+"1280","NCI-H1385","Lung",NA,"NCI-H1385",NA,NA,NA,NA,NA,NA,"NCI-H1385","NCI-H1385",NA,NA,"NCIH1385",NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1466","NCIH1385_1012_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000737",NA,NA,NA,NA
+"1281","NCI-H1395","Lung","NCI-H1395","NCI-H1395","NCIH1395",NA,"NCI-H1395",NA,"NCI-H1395",NA,"NCI-H1395","NCI-H1395","NCI-H1395",NA,"NCIH1395","NCI-H1395","NCI-H1395",NA,NA,"lung","lung","lung",NA,"Lung",NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH1395","lung",NA,NA,NA,NA,"CVCL_1467","NCIH1395_1013_2019","NCI-H1395","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000327",NA,NA,NA,NA
+"1282","NCI-H1404","Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1468","NCIH1404_1014_2019",NA,"lung","Papillary lung adenocarcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1283","NCI-H1417","Lung","NCI-H1417",NA,NA,NA,NA,NA,"NCI-H1417","NCI-H1417",NA,NA,"NCI-H1417",NA,NA,NA,"NCI-H1417",NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1469","NCIH1417_1015_2019","NCI-H1417","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-001591",NA,NA,NA,NA
+"1284","NCI-H1435","Lung",NA,"NCI-H1435",NA,NA,"NCI-H1435","NCIH1435","NCI-H1435",NA,"NCI-H1435","NCI-H1435","NCI-H1435",NA,"NCIH1435","NCI-H1435","NCI-H1435",NA,"NCIH1435_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung",NA,NA,NA,"lung","lung",NA,"lung","NCIH1435","lung",NA,NA,NA,"lung","CVCL_1470","NCIH1435_1016_2019","NCI-H1435","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000852",NA,NA,NA,NA
+"1285","NCI-H1436","Lung","NCI-H1436","NCI-H1436","NCIH1436",NA,NA,NA,"NCI-H1436",NA,"NCI-H1436","NCI-H1436","NCI-H1436",NA,NA,NA,"NCI-H1436",NA,NA,"lung","lung","lung",NA,NA,NA,"lung","lung","lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1471","NCIH1436_1017_2019","NCI-H1436","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000830",NA,NA,NA,NA
+"1286","NCI-H1437","Lung","NCI-H1437","NCI-H1437","NCIH1437",NA,"NCI-H1437","NCIH1437",NA,NA,"NCI-H1437","NCI-H1437","NCI-H1437",NA,NA,"NCI-H1437","NCI-H1437",NA,"NCIH1437_LUNG","lung","lung","lung",NA,"Lung","LUNG",NA,"lung",NA,NA,NA,"lung",NA,"Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_1472","NCIH1437_1018_2019","NCI-H1437","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000589",NA,NA,NA,NA
+"1287","NCI-H146","Lung","NCI-H146","NCI-H146","NCIH146",NA,"NCI-H146",NA,"NCI-H146",NA,"NCI-H146","NCI-H146","NCI-H146",NA,"NCIH146","NCI-H146","NCI-H146",NA,NA,"lung","lung","lung",NA,"Lung",NA,"Lung","lung",NA,NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1473","NCIH146_1019_2019","NCI-H146","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000506",NA,NA,NA,NA
+"1288","NCI-H1522","Lung","NCI-H1522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1474","NCIH1522_1020_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1289","NCI-H1563","Lung","NCI-H1563","NCI-H1563","NCIH1563",NA,NA,NA,"NCI-H1563",NA,"NCI-H1563","NCI-H1563","NCI-H1563",NA,"NCIH1563","NCI-H1563","NCI-H1563",NA,"NCIH1563_LUNG","lung","lung","lung",NA,NA,NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH1563","lung",NA,NA,NA,"lung","CVCL_1475","NCIH1563_1021_2019","NCI-H1563","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000892",NA,NA,NA,NA
+"1290","NCI-H1568","Lung",NA,"NCI-H1568",NA,NA,"NCI-H1568","NCIH1568","NCI-H1568",NA,"NCI-H1568","NCI-H1568","NCI-H1568",NA,"NCIH1568","NCI-H1568","NCI-H1568",NA,"NCIH1568_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung",NA,NA,NA,"lung","lung",NA,"lung","NCIH1568","lung",NA,NA,NA,"lung","CVCL_1476","NCIH1568_1022_2019","NCI-H1568","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000869",NA,NA,NA,NA
+"1291","NCI-H157","Lung","NCI-H157",NA,"NCIH157",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIH1573_LUNG","lung",NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,"lung","CVCL_1478","NCIH1573_1023_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000916",NA,NA,NA,NA
+"1292","NCI-H1573","Lung","NCI-H1573","NCI-H1573","NCIH1573",NA,"NCI-H1573","NCIH1573","NCI-H1573",NA,"NCI-H1573","NCI-H1573","NCI-H1573",NA,"NCIH1573","NCI-H1573","NCI-H1573",NA,NA,"lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH1573","lung",NA,NA,NA,NA,"CVCL_1478","NCIH1573_1023_2019","NCI-H1573","lung","Lung adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1293","NCI-H1581","Lung","NCI-H1581","NCI-H1581","NCIH1581",NA,"NCI-H1581",NA,"NCI-H1581",NA,"NCI-H1581","NCI-H1581","NCI-H1581",NA,"NCIH1581","NCI-H1581","NCI-H1581",NA,"NCIH1581_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_1479","NCIH1581_1024_2019","NCI-H1581","lung","Large cell lung carcinoma","Cancer cell line",NA,"ACH-000015",NA,NA,NA,NA
+"1294","NCI-H1618","Lung","NCI-H1618","NCI-H1618","NCIH1618",NA,NA,NA,NA,NA,"NCI-H1618","NCI-H1618",NA,NA,NA,NA,NA,NA,NA,"lung","lung","lung",NA,NA,NA,NA,"lung",NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1480","NCIH1618_1025_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000179",NA,NA,NA,NA
+"1295","NCI-H1623","Lung","NCI-H1623","NCI-H1623","NCIH1623",NA,"NCI-H1623",NA,"NCI-H1623",NA,"NCI-H1623","NCI-H1623","NCI-H1623",NA,"NCIH1623","NCI-H1623","NCI-H1623",NA,"NCIH1623_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH1623","lung",NA,NA,NA,"lung","CVCL_1481","NCIH1623_1026_2019","NCI-H1623","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000744",NA,NA,NA,NA
+"1296","NCI-H1648","Lung","NCI-H1648","NCI-H1648",NA,NA,"NCI-H1648",NA,"NCI-H1648",NA,"NCI-H1648","NCI-H1648","NCI-H1648",NA,NA,"NCI-H1648","NCI-H1648",NA,"NCIH1648_LUNG","lung","lung",NA,NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung",NA,"Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_1482","NCIH1648_1027_2019","NCI-H1648","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000766",NA,NA,NA,NA
+"1297","NCI-H1650","Lung","NCI-H1650","NCI-H1650","NCIH1650",NA,"NCI-H1650",NA,"NCI-H1650",NA,"NCI-H1650","NCI-H1650","NCI-H1650",NA,"NCIH1650","NCI-H1650","NCI-H1650",NA,"NCIH1650_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH1650","lung",NA,NA,NA,"lung","CVCL_1483","NCIH1650_1028_2019","NCI-H1650","lung","Minimally invasive lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000035",NA,NA,NA,NA
+"1298","NCI-H1651","Lung","NCI-H1651","NCI-H1651","NCIH1651",NA,"NCI-H1651",NA,"NCI-H1651",NA,"NCI-H1651","NCI-H1651","NCI-H1651",NA,"NCIH1651","NCI-H1651","NCI-H1651",NA,"NCIH1651_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH1651","lung",NA,NA,NA,"lung","CVCL_1484","NCIH1651_1029_2019","NCI-H1651","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000893",NA,NA,NA,NA
+"1299","NCI-H1666","Lung","NCI-H1666","NCI-H1666","NCIH1666",NA,"NCI-H1666","NCIH1666","NCI-H1666",NA,"NCI-H1666","NCI-H1666","NCI-H1666",NA,"NCIH1666","NCI-H1666","NCI-H1666",NA,NA,"lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH1666","lung",NA,NA,NA,NA,"CVCL_1485","NCIH1666_1030_2019","NCI-H1666","lung","Minimally invasive lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000448",NA,NA,NA,NA
+"1300","NCI-H1688","Lung",NA,NA,NA,NA,NA,NA,"NCI-H1688","NCI-H1688",NA,NA,"NCI-H1688",NA,NA,NA,"NCI-H1688",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1487","NCIH1688_1031_2019","NCI-H1688","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002170",NA,NA,NA,NA
+"1301","NCI-H1693","Lung","NCI-H1693","NCI-H1693",NA,NA,"NCI-H1693",NA,"NCI-H1693",NA,"NCI-H1693","NCI-H1693","NCI-H1693",NA,"NCIH1693","NCI-H1693","NCI-H1693",NA,"NCIH1693_LUNG","lung","lung",NA,NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,"lung","CVCL_1488","NCIH1693_1032_2019","NCI-H1693","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000021",NA,NA,NA,NA
+"1302","NCI-H1694","Lung","NCI-H1694","NCI-H1694","NCIH1694",NA,NA,"NCIH1694","NCI-H1694",NA,"NCI-H1694","NCI-H1694","NCI-H1694",NA,"NCIH1694",NA,"NCI-H1694",NA,NA,"lung","lung","lung",NA,NA,"LUNG","Lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1489","NCIH1694_1033_2019","NCI-H1694","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000431",NA,NA,NA,NA
+"1303","NCI-H1703","Lung","NCI-H1703","NCI-H1703","NCIH1703",NA,"NCI-H1703",NA,"NCI-H1703",NA,"NCI-H1703","NCI-H1703","NCI-H1703",NA,"NCIH1703","NCI-H1703","NCI-H1703",NA,"NCIH1703_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH1703","lung",NA,NA,NA,"lung","CVCL_1490","NCIH1703_1034_2019","NCI-H1703","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000747",NA,NA,NA,NA
+"1304","NCI-H1734","Lung","NCI-H1734","NCI-H1734",NA,NA,"NCI-H1734",NA,"NCI-H1734",NA,"NCI-H1734","NCI-H1734","NCI-H1734",NA,"NCIH1734","NCI-H1734","NCI-H1734",NA,NA,"lung","lung",NA,NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1491","NCIH1734_1035_2019","NCI-H1734","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000675",NA,NA,NA,NA
+"1305","NCI-H1755","Lung","NCI-H1755","NCI-H1755",NA,NA,NA,"NCIH1755","NCI-H1755",NA,"NCI-H1755","NCI-H1755","NCI-H1755",NA,"NCIH1755",NA,"NCI-H1755",NA,NA,"lung","lung",NA,NA,NA,"LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH1755","lung",NA,NA,NA,NA,"CVCL_1492","NCIH1755_1036_2019","NCI-H1755","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000282",NA,NA,NA,NA
+"1306","NCI-H1770","Lung","NCI-H1770",NA,"NCIH1770",NA,"NCI-H1770",NA,"NCI-H1770","NCI-H1770",NA,NA,"NCI-H1770",NA,NA,"NCI-H1770","NCI-H1770",NA,NA,"lung",NA,"lung",NA,"Lung",NA,"lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1493","NCIH1770_1037_2019","NCI-H1770","lung","Non-small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001362",NA,NA,NA,NA
+"1307","NCI-H1781","Lung",NA,"NCI-H1781",NA,NA,"NCI-H1781","NCIH1781","NCI-H1781",NA,"NCI-H1781","NCI-H1781","NCI-H1781",NA,NA,"NCI-H1781","NCI-H1781",NA,NA,NA,"lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung",NA,NA,NA,"lung",NA,NA,"lung","NCIH1781","lung",NA,NA,NA,NA,"CVCL_1494","NCIH1781_1038_2019","NCI-H1781","lung","Minimally invasive lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000379",NA,NA,NA,NA
+"1308","NCI-H1792","Lung","NCI-H1792","NCI-H1792","NCIH1792",NA,"NCI-H1792","NCIH1792","NCI-H1792",NA,"NCI-H1792","NCI-H1792","NCI-H1792",NA,"NCIH1792","NCI-H1792","NCI-H1792",NA,"NCIH1792_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH1792","lung",NA,NA,NA,"lung","CVCL_1495","NCIH1792_1039_2019","NCI-H1792","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000496",NA,NA,NA,NA
+"1309","NCI-H1793","Lung","NCI-H1793","NCI-H1793","NCIH1793",NA,"NCI-H1793","NCIH1793","NCI-H1793",NA,"NCI-H1793","NCI-H1793","NCI-H1793",NA,"NCIH1793","NCI-H1793","NCI-H1793",NA,"NCIH1793_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH1793","lung",NA,NA,NA,"lung","CVCL_1496","NCIH1793_1040_2019","NCI-H1793","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000888",NA,NA,NA,NA
+"1310","NCI-H1819","Lung",NA,"NCI-H1819",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1497","NCI-H181913112021_",NA,"lung",NA,"Cancer cell line",TRUE,"ACH-000033",NA,NA,NA,NA
+"1311","NCI-H1836","Lung",NA,"NCI-H1836",NA,NA,NA,"NCIH1836","NCI-H1836","NCI-H1836","NCI-H1836",NA,"NCI-H1836",NA,NA,NA,"NCI-H1836",NA,NA,NA,"lung",NA,NA,NA,"LUNG","Lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1498","NCIH1836_1041_2019","NCI-H1836","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000559",NA,NA,NA,NA
+"1312","NCI-H1838","Lung","NCI-H1838","NCI-H1838","NCIH1838",NA,"NCI-H1838",NA,"NCI-H1838",NA,"NCI-H1838","NCI-H1838","NCI-H1838",NA,"NCIH1838","NCI-H1838","NCI-H1838",NA,"NCIH1838_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH1838","lung",NA,NA,NA,"lung","CVCL_1499","NCIH1838_1042_2019","NCI-H1838","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000733",NA,NA,NA,NA
+"1313","NCI-H1869","Lung",NA,"NCI-H1869",NA,NA,"NCI-H1869",NA,"NCI-H1869",NA,"NCI-H1869","NCI-H1869","NCI-H1869",NA,"NCIH1869","NCI-H1869","NCI-H1869",NA,NA,NA,"lung",NA,NA,"Lung",NA,"Lung","lung",NA,NA,NA,"lung","lung","Lung","lung","NCIH1869","lung",NA,NA,NA,NA,"CVCL_1500","NCIH1869_1043_2019","NCI-H1869","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000894",NA,NA,NA,NA
+"1314","NCI-H187","Lung","NCI-H187",NA,"NCIH187",NA,"NCI-H187",NA,"NCI-H187","NCI-H187",NA,NA,"NCI-H187",NA,NA,"NCI-H187","NCI-H187",NA,NA,"lung",NA,"lung",NA,"Lung",NA,"Lung",NA,"lung",NA,NA,"lung",NA,"Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1501","NCIH187_1044_2019","NCI-H187","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001136",NA,NA,NA,NA
+"1315","NCI-H1876","Lung",NA,"NCI-H1876",NA,NA,NA,"NCIH1876","NCI-H1876",NA,"NCI-H1876","NCI-H1876","NCI-H1876",NA,NA,NA,"NCI-H1876",NA,NA,NA,"lung",NA,NA,NA,"LUNG","lung","lung",NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1503","NCIH1876_1045_2019","NCI-H1876","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000586",NA,NA,NA,NA
+"1316","NCI-H1882","Lung",NA,NA,NA,NA,"NCI-H1882",NA,NA,NA,NA,NA,NA,NA,NA,"NCI-H1882",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1504","NCIH1882_1046_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1317","NCI-H1915","Lung",NA,"NCI-H1915",NA,NA,"NCI-H1915","NCIH1915","NCI-H1915",NA,"NCI-H1915","NCI-H1915","NCI-H1915",NA,"NCIH1915","NCI-H1915","NCI-H1915",NA,"NCIH1915_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung","lung",NA,NA,NA,"lung","lung",NA,"lung","NCIH1915","lung",NA,NA,NA,"lung","CVCL_1505","NCIH1915_1047_2019","NCI-H1915","lung","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-000434",NA,NA,NA,NA
+"1318","NCI-H1926","Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1506","NCIH1926_1048_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1319","NCI-H1930","Lung","NCI-H1930","NCI-H1930","NCIH1930",NA,"NCI-H1930","NCIH1930",NA,NA,"NCI-H1930","NCI-H1930",NA,NA,NA,"NCI-H1930",NA,NA,NA,"lung","lung","lung",NA,"Lung","LUNG",NA,"lung",NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1507","NCIH1930_1049_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000870",NA,NA,NA,NA
+"1320","NCI-H1944","Lung",NA,"NCI-H1944",NA,NA,"NCI-H1944","NCIH1944","NCI-H1944",NA,"NCI-H1944","NCI-H1944","NCI-H1944",NA,"NCIH1944","NCI-H1944","NCI-H1944",NA,"NCIH1944_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung","lung",NA,NA,NA,"lung","lung","Lung","lung","NCIH1944","lung",NA,NA,NA,"lung","CVCL_1508","NCIH1944_1050_2019","NCI-H1944","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000414",NA,NA,NA,NA
+"1321","NCI-H196","Lung",NA,"NCI-H196",NA,NA,"NCI-H196",NA,"NCI-H196",NA,"NCI-H196","NCI-H196","NCI-H196",NA,"NCIH196","NCI-H196","NCI-H196",NA,NA,NA,"lung",NA,NA,"Lung",NA,"Lung","lung",NA,NA,NA,"lung","lung",NA,"lung","NCIH196","lung",NA,NA,NA,NA,"CVCL_1509","NCIH196_1051_2019","NCI-H196","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000752",NA,NA,NA,NA
+"1322","NCI-H1963","Lung","NCI-H1963","NCI-H1963",NA,NA,NA,"NCIH1963","NCI-H1963",NA,"NCI-H1963","NCI-H1963","NCI-H1963",NA,NA,NA,"NCI-H1963",NA,NA,"lung","lung",NA,NA,NA,"LUNG","Lung","lung","lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1510","NCIH1963_1052_2019","NCI-H1963","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000729",NA,NA,NA,NA
+"1323","NCI-H1975","Lung","NCI-H1975","NCI-H1975","NCIH1975",NA,"NCI-H1975","NCIH1975","NCI-H1975",NA,"NCI-H1975","NCI-H1975","NCI-H1975",NA,"NCIH1975","NCI-H1975","NCI-H1975",NA,"NCIH1975_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH1975","lung",NA,NA,NA,"lung","CVCL_1511","NCIH1975_1053_2019","NCI-H1975","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000587",NA,NA,NA,NA
+"1324","NCI-H1993","Lung","NCI-H1993",NA,"NCIH1993",NA,NA,NA,"NCI-H1993","NCI-H1993",NA,NA,"NCI-H1993",NA,NA,"NCI-H1993","NCI-H1993",NA,NA,"lung",NA,"lung",NA,NA,NA,"Lung:NSCLC",NA,"lung",NA,NA,"lung",NA,"Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1512","NCIH1993_1054_2019","NCI-H1993","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-001137",NA,NA,NA,NA
+"1325","NCI-H2004RT","Kidney",NA,"NCI-H2004RT///NCI-H2004 RT",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WS70","NCI-H2004RT13262021_",NA,"soft_tissue",NA,"Cancer cell line",NA,"ACH-000533",NA,NA,NA,NA
+"1326","NCI-H2009","Lung","NCI-H2009","NCI-H2009","NCIH2009",NA,"NCI-H2009","NCIH2009","NCI-H2009",NA,"NCI-H2009","NCI-H2009","NCI-H2009",NA,"NCIH2009","NCI-H2009","NCI-H2009",NA,"NCIH2009_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_1514","NCIH2009_1055_2019","NCI-H2009","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000886",NA,NA,NA,NA
+"1327","NCI-H2023","Lung",NA,"NCI-H2023",NA,NA,"NCI-H2023","NCIH2023","NCI-H2023",NA,"NCI-H2023","NCI-H2023","NCI-H2023",NA,"NCIH2023","NCI-H2023","NCI-H2023",NA,"NCIH2023_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung","lung",NA,NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_1515","NCIH2023_1056_2019","NCI-H2023","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000781",NA,NA,NA,NA
+"1328","NCI-H2029","Lung","NCI-H2029","NCI-H2029",NA,NA,NA,"NCIH2029","NCI-H2029",NA,"NCI-H2029","NCI-H2029","NCI-H2029",NA,"NCIH2029",NA,"NCI-H2029",NA,NA,"lung","lung",NA,NA,NA,"LUNG","Lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1516","NCIH2029_1057_2019","NCI-H2029","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000298",NA,NA,NA,NA
+"1329","NCI-H2030","Lung","NCI-H2030","NCI-H2030","NCIH2030",NA,"NCI-H2030","NCIH2030","NCI-H2030",NA,"NCI-H2030","NCI-H2030","NCI-H2030",NA,"NCIH2030","NCI-H2030","NCI-H2030",NA,"NCIH2030_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH2030","lung",NA,NA,NA,"lung","CVCL_1517","NCIH2030_1058_2019","NCI-H2030","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000521",NA,NA,NA,NA
+"1330","NCI-H2052","Pleura","NCI-H2052","NCI-H2052","NCIH2052",NA,"NCI-H2052","NCIH2052","NCI-H2052",NA,"NCI-H2052","NCI-H2052","NCI-H2052",NA,"NCIH2052","NCI-H2052","NCI-H2052",NA,"NCIH2052_PLEURA","pleura","pleura","lung",NA,"Pleura","PLEURA","Lung","pleura","lung",NA,NA,"pleura","pleura","Lung","pleura","NCIH2052","pleura",NA,NA,NA,"mesothelioma","CVCL_1518","NCIH2052_1059_2019","NCI-H2052","pleura","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,"ACH-000153",NA,NA,NA,NA
+"1331","NCI-H2066","Lung",NA,"NCI-H2066",NA,NA,NA,NA,"NCI-H2066",NA,"NCI-H2066","NCI-H2066","NCI-H2066",NA,NA,NA,"NCI-H2066",NA,NA,NA,"lung",NA,NA,NA,NA,"Lung","lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1520","NCIH2066_1060_2019","NCI-H2066","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000727",NA,NA,NA,NA
+"1332","NCI-H2073","Lung",NA,"NCI-H2073",NA,NA,"NCI-H2073","NCIH2073",NA,NA,"NCI-H2073","NCI-H2073",NA,NA,NA,"NCI-H2073",NA,NA,NA,NA,"lung",NA,NA,"Lung","LUNG",NA,"lung",NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1521","NCIH2073_1061_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000590",NA,NA,NA,NA
+"1333","NCI-H2077","Lung",NA,"NCI-H2077///NCI-H2077;NCI-H1581",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5157","NCI-H207713342021_",NA,"lung",NA,"Cancer cell line",NA,"ACH-000010",NA,NA,NA,NA
+"1334","NCI-H2081","Lung","NCI-H2081","NCI-H2081","NCIH2081",NA,"NCI-H2081","NCIH2081",NA,NA,"NCI-H2081","NCI-H2081","NCI-H2081",NA,"NCIH2081","NCI-H2081","NCI-H2081",NA,NA,"lung","lung","lung",NA,"Lung","LUNG",NA,"lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1522","NCIH2081_1062_2019","NCI-H2081","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000394",NA,NA,NA,NA
+"1335","NCI-H2085","Lung",NA,"NCI-H2085",NA,NA,NA,NA,"NCI-H2085",NA,"NCI-H2085","NCI-H2085","NCI-H2085",NA,"NCIH2085",NA,"NCI-H2085",NA,NA,NA,"lung",NA,NA,NA,NA,"Lung","lung",NA,NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1523","NCIH2085_1063_2019","NCI-H2085","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000451",NA,NA,NA,NA
+"1336","NCI-H2087","Lung","NCI-H2087","NCI-H2087","NCIH2087",NA,NA,NA,"NCI-H2087",NA,"NCI-H2087","NCI-H2087","NCI-H2087",NA,"NCIH2087",NA,"NCI-H2087",NA,"NCIH2087_LUNG","lung","lung","lung",NA,NA,NA,"lung","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH2087","lung",NA,NA,NA,"lung","CVCL_1524","NCIH2087_1064_2019","NCI-H2087","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000841",NA,NA,NA,NA
+"1337","NCI-H209","Lung","NCI-H209","NCI-H209","NCIH209",NA,"NCI-H209",NA,"NCI-H209",NA,"NCI-H209","NCI-H209","NCI-H209",NA,"NCIH209","NCI-H209","NCI-H209",NA,NA,"lung","lung","lung",NA,"Lung",NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1525","NCIH209_1065_2019","NCI-H209","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000290",NA,NA,NA,NA
+"1338","NCI-H2106","Lung",NA,"NCI-H2106",NA,NA,"NCI-H2106",NA,NA,NA,"NCI-H2106","NCI-H2106",NA,NA,"NCIH2106","NCI-H2106",NA,NA,NA,NA,"lung",NA,NA,"Lung",NA,NA,"lung",NA,NA,NA,"lung","lung",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1526","NCIH2106_1066_2019",NA,"lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000904",NA,NA,NA,NA
+"1339","NCI-H2107","Lung","NCI-H2107",NA,"NCIH2107",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1527","NCIH2107_1067_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1340","NCI-H211","Lung",NA,"NCI-H211",NA,NA,NA,NA,"NCI-H211",NA,"NCI-H211","NCI-H211","NCI-H211",NA,"NCIH211","NCI-H211","NCI-H211",NA,NA,NA,"lung",NA,NA,NA,NA,"Lung","lung",NA,NA,NA,"lung","lung",NA,"lung","NCIH211","lung",NA,NA,NA,NA,"CVCL_1529","NCIH211_1068_2019","NCI-H211","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000639",NA,NA,NA,NA
+"1341","NCI-H2110","Lung",NA,"NCI-H2110",NA,NA,"NCI-H2110","NCIH2110","NCI-H2110",NA,"NCI-H2110","NCI-H2110","NCI-H2110",NA,"NCIH2110","NCI-H2110","NCI-H2110",NA,"NCIH2110_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung",NA,NA,NA,NA,"lung",NA,"lung","NCIH2110","lung",NA,NA,NA,"lung","CVCL_1530","NCIH2110_1069_2019","NCI-H2110","lung","Non-small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000929",NA,NA,NA,NA
+"1342","NCI-H2122","Lung","NCI-H2122","NCI-H2122","NCIH2122",NA,"NCI-H2122","NCIH2122","NCI-H2122",NA,"NCI-H2122","NCI-H2122","NCI-H2122",NA,"NCIH2122","NCI-H2122","NCI-H2122",NA,"NCIH2122_LUNG","lung","lung","lung",NA,"Lung","LUNG","lung","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH2122","lung",NA,NA,NA,"lung","CVCL_1531","NCIH2122_1070_2019","NCI-H2122","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000311",NA,NA,NA,NA
+"1343","NCI-H2126","Lung","NCI-H2126","NCI-H2126","NCIH2126",NA,"NCI-H2126","NCIH2126","NCI-H2126",NA,"NCI-H2126","NCI-H2126","NCI-H2126",NA,"NCIH2126","NCI-H2126",NA,NA,"NCIH2126_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,"lung","CVCL_1532","NCIH2126_1071_2019",NA,"lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000785",NA,NA,NA,NA
+"1344","NCI-H2135","Lung",NA,NA,NA,NA,"NCI-H2135",NA,"NCI-H2135","NCI-H2135",NA,NA,"NCI-H2135",NA,NA,"NCI-H2135","NCI-H2135",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung:NSCLC",NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1533","NCIH2135_1072_2019","NCI-H2135","lung","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-001363",NA,NA,NA,NA
+"1345","NCI-H2141","Lung","NCI-H2141","NCI-H2141",NA,NA,NA,"NCIH2141","NCI-H2141","NCI-H2141",NA,NA,"NCI-H2141",NA,"NCIH2141",NA,"NCI-H2141",NA,NA,"lung","lung",NA,NA,NA,"LUNG","lung",NA,"lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1534","NCIH2141_1073_2019","NCI-H2141","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001138",NA,NA,NA,NA
+"1346","NCI-H2170","Lung","NCI-H2170","NCI-H2170","NCIH2170",NA,"NCI-H2170",NA,"NCI-H2170",NA,"NCI-H2170","NCI-H2170","NCI-H2170",NA,"NCIH2170","NCI-H2170","NCI-H2170",NA,"NCIH2170_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_1535","NCIH2170_1074_2019","NCI-H2170","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000481",NA,NA,NA,NA
+"1347","NCI-H2171","Lung","NCI-H2171","NCI-H2171","NCIH2171",NA,"NCI-H2171",NA,NA,NA,"NCI-H2171","NCI-H2171","NCI-H2171",NA,"NCIH2171","NCI-H2171","NCI-H2171",NA,NA,"lung","lung","lung",NA,"Lung",NA,NA,"lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1536","NCIH2171_1075_2019","NCI-H2171","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000525",NA,NA,NA,NA
+"1348","NCI-H2172","Lung",NA,"NCI-H2172",NA,NA,"NCI-H2172","NCIH2172","NCI-H2172",NA,"NCI-H2172","NCI-H2172","NCI-H2172",NA,"NCIH2172","NCI-H2172","NCI-H2172",NA,"NCIH2172_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung",NA,NA,NA,NA,"lung",NA,"lung",NA,NA,NA,NA,NA,"lung","CVCL_1537","NCIH2172_1076_2019","NCI-H2172","lung","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-000924",NA,NA,NA,NA
+"1349","NCI-H2195","Lung",NA,NA,"NCIH2195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCI-H219513502021_",NA,"lung","Small cell lung carcinoma",NA,NA,NA,NA,NA,NA,NA
+"1350","NCI-H2196","Lung","NCI-H2196","NCI-H2196",NA,NA,"NCI-H2196",NA,"NCI-H2196",NA,"NCI-H2196","NCI-H2196","NCI-H2196",NA,"NCIH2196","NCI-H2196","NCI-H2196",NA,NA,"lung","lung",NA,NA,"Lung",NA,"lung","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH2196","lung",NA,NA,NA,NA,"CVCL_1539","NCIH2196_1077_2019","NCI-H2196","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000399",NA,NA,NA,NA
+"1351","NCI-H2198","Lung",NA,NA,NA,NA,"NCI-H2198",NA,NA,NA,NA,NA,NA,NA,NA,"NCI-H2198",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1540","NCIH2198_1078_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1352","NCI-H220","Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1541","NCIH220_1079_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1353","NCI-H2227","Lung","NCI-H2227","NCI-H2227",NA,NA,NA,NA,"NCI-H2227",NA,"NCI-H2227","NCI-H2227","NCI-H2227",NA,NA,NA,"NCI-H2227",NA,NA,"lung","lung",NA,NA,NA,NA,"Lung","lung","lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1542","NCIH2227_1080_2019","NCI-H2227","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000610",NA,NA,NA,NA
+"1354","NCI-H2228","Lung","NCI-H2228","NCI-H2228","NCIH2228",NA,"NCI-H2228",NA,"NCI-H2228",NA,"NCI-H2228","NCI-H2228","NCI-H2228",NA,"NCIH2228","NCI-H2228","NCI-H2228",NA,"NCIH2228_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH2228","lung",NA,NA,NA,"lung","CVCL_1543","NCIH2228_1081_2019","NCI-H2228","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000447",NA,NA,NA,NA
+"1355","NCI-H226","Pleura","NCI-H226","NCI-H226","NCIH226",NA,"NCI-H226",NA,"NCI-H226",NA,"NCI-H226","NCI-H226","NCI-H226",NA,"NCIH226","NCI-H226","NCI-H226","NCI-H226///LC.NCI.H226","NCIH226_LUNG","lung","lung","lung",NA,"Lung",NA,"pleura","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH226","lung",NA,NA,"Non-Small Cell Lung Cancer///Non-Small Cell Lung","lung","CVCL_1544","NCIH226_1082_2019","NCI-H226","lung","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-000367",NA,NA,NA,NA
+"1356","NCI-H2286","Lung",NA,"NCI-H2286",NA,NA,NA,"NCIH2286","NCI-H2286",NA,"NCI-H2286","NCI-H2286",NA,NA,"NCIH2286",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"LUNG","Lung","lung",NA,NA,NA,"lung","lung",NA,"lung","NCIH2286","lung",NA,NA,NA,NA,"CVCL_1545","NCIH2286_1083_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000912",NA,NA,NA,NA
+"1357","NCI-H2291","Lung","NCI-H2291","NCI-H2291",NA,NA,NA,NA,"NCI-H2291",NA,"NCI-H2291","NCI-H2291","NCI-H2291",NA,"NCIH2291",NA,"NCI-H2291",NA,NA,"lung","lung",NA,NA,NA,NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH2291","lung",NA,NA,NA,NA,"CVCL_1546","NCIH2291_1084_2019","NCI-H2291","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000718",NA,NA,NA,NA
+"1358","NCI-H23","Lung","NCI-H23","NCI-H23","NCIH23",NA,"NCI-H23","NCIH23","NCI-H23",NA,"NCI-H23","NCI-H23","NCI-H23",NA,"NCIH23","NCI-H23","NCI-H23","NCI-H23///LC.NCI.H23","NCIH23_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH23","lung",NA,NA,"Non-Small Cell Lung Cancer///Non-Small Cell Lung","lung","CVCL_1547","NCIH23_1085_2019","NCI-H23","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000900",NA,NA,NA,NA
+"1359","NCI-H2330","Lung","NCI-H2330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCI-H233013602021_",NA,"lung","Small cell lung carcinoma",NA,NA,NA,NA,NA,NA,NA
+"1360","NCI-H2342","Lung","NCI-H2342","NCI-H2342",NA,NA,NA,"NCIH2342","NCI-H2342",NA,"NCI-H2342","NCI-H2342","NCI-H2342",NA,"NCIH2342",NA,"NCI-H2342",NA,NA,"lung","lung",NA,NA,NA,"LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH2342","lung",NA,NA,NA,NA,"CVCL_1549","NCIH2342_1086_2019","NCI-H2342","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000951",NA,NA,NA,NA
+"1361","NCI-H2347","Lung","NCI-H2347","NCI-H2347","NCIH2347",NA,"NCI-H2347",NA,"NCI-H2347",NA,"NCI-H2347","NCI-H2347","NCI-H2347",NA,NA,"NCI-H2347","NCI-H2347",NA,"NCIH2347_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung",NA,"Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_1550","NCIH2347_1087_2019","NCI-H2347","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000875",NA,NA,NA,NA
+"1362","NCI-H2369","Pleura",NA,NA,NA,NA,"NCI-H2369",NA,"H2369","H2369",NA,NA,"H2369",NA,NA,"NCI-H2369","H2369",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_A532","H2369_420_2019","H2369","pleura","Pleural malignant mesothelioma","Cancer cell line",NA,"ACH-002123",NA,NA,NA,NA
+"1363","NCI-H2373","Pleura",NA,NA,NA,NA,"NCI-H2373",NA,"H2373","H2373",NA,NA,"H2373",NA,NA,"NCI-H2373","H2373",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_A533","H2373_421_2019","H2373","lung","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,"ACH-002124",NA,NA,NA,NA
+"1364","NCI-H2405","Lung","NCI-H2405","NCI-H2405","NCIH2405",NA,NA,"NCIH2405","NCI-H2405",NA,"NCI-H2405","NCI-H2405","NCI-H2405",NA,"NCIH2405","NCI-H2405","NCI-H2405",NA,NA,"lung","lung","lung",NA,NA,"LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH2405","lung",NA,NA,NA,NA,"CVCL_1551","NCIH2405_1090_2019","NCI-H2405","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000121",NA,NA,NA,NA
+"1365","NCI-H2444","Lung",NA,"NCI-H2444",NA,NA,NA,NA,"NCI-H2444",NA,"NCI-H2444","NCI-H2444","NCI-H2444",NA,"NCIH2444","NCI-H2444","NCI-H2444",NA,"NCIH2444_LUNG",NA,"lung",NA,NA,NA,NA,"Lung:NSCLC","lung",NA,NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,"lung","CVCL_1552","NCIH2444_1091_2019","NCI-H2444","lung","Non-small cell lung carcinoma","Cancer cell line",NA,"ACH-000186",NA,NA,NA,NA
+"1366","NCI-H2452","Pleura","NCI-H2452","NCI-H2452",NA,NA,"NCI-H2452",NA,"NCI-H2452",NA,"NCI-H2452","NCI-H2452","NCI-H2452",NA,"NCIH2452","NCI-H2452","NCI-H2452",NA,"NCIH2452_PLEURA","pleura","pleura",NA,NA,"Lung",NA,"Lung","pleura","lung",NA,NA,"pleura","pleura","Lung","pleura","NCIH2452","pleura",NA,NA,NA,"mesothelioma","CVCL_1553","NCIH2452_1092_2019","NCI-H2452","pleura","Pleural biphasic mesothelioma","Cancer cell line",NA,"ACH-000092",NA,NA,NA,NA
+"1367","NCI-H2461","Pleura",NA,NA,NA,NA,"NCI-H2461",NA,"H2461","H2461",NA,NA,"H2461///NCI-H2461",NA,NA,"NCI-H2461","H2461",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_A536","H2461_422_2019","H2461","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-002125",NA,NA,NA,NA
+"1368","NCI-H250","Lung","NCI-H250",NA,NA,NA,NA,NA,"NCI-H250","NCI-H250",NA,NA,"NCI-H250",NA,NA,NA,"NCI-H250",NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1554","NCIH250_1094_2019","NCI-H250","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002171",NA,NA,NA,NA
+"1369","NCI-H2591","Pleura",NA,NA,NA,NA,NA,NA,"H2591","H2591",NA,NA,"H2591///NCI-H2591",NA,NA,NA,"H2591",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_A543","H2591_423_2019","H2591","lung","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-002126",NA,NA,NA,NA
+"1370","NCI-H2595","Pleura",NA,NA,NA,NA,"NCI-H2595",NA,"H2595","H2595",NA,NA,"H2595///NCI-H2595",NA,NA,"NCI-H2595","H2595",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_A545","H2595_424_2019","H2595","lung","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-002127",NA,NA,NA,NA
+"1371","NCI-H2596","Pleura",NA,NA,NA,NA,"NCI-H2596",NA,NA,NA,NA,NA,NA,NA,NA,"NCI-H2596",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_A546","NCIH2596_1096_2019",NA,"pleura","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1372","NCI-H2722","Pleura",NA,NA,NA,NA,"NCI-H2722",NA,"H2722","H2722",NA,NA,"H2722///NCI-H2722",NA,NA,"NCI-H2722","H2722",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_U994","H2722_425_2019","H2722","pleura","Pleural malignant mesothelioma","Cancer cell line",NA,"ACH-002128",NA,NA,NA,NA
+"1373","NCI-H2731","Pleura",NA,NA,NA,NA,NA,NA,"H2731","H2731",NA,NA,"H2731///NCI-H2731",NA,NA,NA,"H2731",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_U995","H2731_426_2019","H2731","lung","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,"ACH-002129",NA,NA,NA,NA
+"1374","NCI-H2795","Pleura",NA,NA,NA,NA,"NCI-H2795",NA,"H2795","H2795",NA,NA,"H2795///NCI-H2795",NA,NA,"NCI-H2795","H2795",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_U996","H2795_427_2019","H2795","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-002130",NA,NA,NA,NA
+"1375","NCI-H28","Pleura","NCI-H28","NCI-H28",NA,NA,"NCI-H28","NCIH28","NCI-H28",NA,"NCI-H28","NCI-H28","NCI-H28",NA,"NCIH28","NCI-H28","NCI-H28",NA,"NCIH28_PLEURA","pleura","pleura",NA,NA,"Pleura","PLEURA","Lung","pleura","lung",NA,NA,"pleura","pleura","Lung","pleura",NA,NA,NA,NA,NA,"mesothelioma","CVCL_1555","NCIH28_1099_2019","NCI-H28","pleura","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,"ACH-000648",NA,NA,NA,NA
+"1376","NCI-H2803","Pleura",NA,NA,NA,NA,"NCI-H2803",NA,"H2803","H2803",NA,NA,"H2803///NCI-H2803",NA,NA,"NCI-H2803","H2803",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_U997","H2803_428_2019","H2803","pleura","Pleural malignant mesothelioma","Cancer cell line",NA,"ACH-002131",NA,NA,NA,NA
+"1377","NCI-H2804","Pleura",NA,NA,NA,NA,"NCI-H2804",NA,"H2804","H2804",NA,NA,"H2804///NCI-H2804",NA,NA,"NCI-H2804","H2804",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_U998","H2804_429_2019","H2804","pleura","Pleural malignant mesothelioma","Cancer cell line",NA,"ACH-002132",NA,NA,NA,NA
+"1378","NCI-H2810","Pleura",NA,NA,NA,NA,"NCI-H2810",NA,"H2810","H2810",NA,NA,"H2810///NCI-H2810",NA,NA,"NCI-H2810","H2810",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_U999","H2810_430_2019","H2810","lung","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-002133",NA,NA,NA,NA
+"1379","NCI-H2818","Pleura",NA,NA,NA,NA,NA,NA,"H2818","H2818",NA,NA,"H2818///NCI-H2818",NA,NA,NA,"H2818",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_V000","H2818_431_2019","H2818","pleura","Pleural epithelioid mesothelioma","Cancer cell line",NA,"ACH-002134",NA,NA,NA,NA
+"1380","NCI-H2869","Pleura",NA,NA,NA,NA,NA,NA,"H2869","H2869",NA,NA,"H2869///NCI-H2869",NA,NA,NA,"H2869",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_V001","H2869_432_2019","H2869","pleura","Pleural biphasic mesothelioma","Cancer cell line",NA,"ACH-002135",NA,NA,NA,NA
+"1381","NCI-H2882","Lung",NA,"NCIH2882",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5158","NCI-H288213822021_",NA,"lung",NA,"Cancer cell line",NA,"ACH-000700",NA,NA,NA,NA
+"1382","NCI-H2887","Lung",NA,"NCI-H2887",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5159","NCI-H288713832021_",NA,"lung",NA,"Cancer cell line",NA,"ACH-000251",NA,NA,NA,NA
+"1383","NCI-H290","Pleura",NA,NA,NA,NA,NA,NA,"H290","H290",NA,NA,"H290///NCI-H290",NA,NA,NA,"H290",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_A555","H290_433_2019","H290","pleura","Pleural malignant mesothelioma","Cancer cell line",NA,"ACH-002136",NA,NA,NA,NA
+"1384","NCI-H292","Lung","NCI-H292","NCI-H292","NCIH292",NA,"NCI-H292",NA,"NCI-H292",NA,"NCI-H292","NCI-H292","NCI-H292",NA,"H292","NCI-H292","NCI-H292",NA,"NCIH292_LUNG","lung","lung","lung",NA,"Lung",NA,"lung","lung",NA,NA,NA,"lung","lung","Lung","lung","NCIH292","lung",NA,NA,NA,"lung","CVCL_0455","NCIH292_1103_2019","NCI-H292","lung","Lung mucoepidermoid carcinoma","Cancer cell line",NA,"ACH-001075",NA,NA,NA,NA
+"1385","NCI-H295","Adrenal Gland","NCI-H295",NA,"NCIH295R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"adrenal_gland",NA,"brain",NA,NA,NA,NA,NA,NA,NA,NA,"adrenal_gland",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCI-H29513862021_",NA,"adrenal_gland","Adrenal cortex carcinoma",NA,NA,NA,NA,NA,NA,NA
+"1386","NCI-H3118","Head and Neck",NA,NA,NA,NA,NA,NA,"H3118","H3118",NA,NA,"H3118///NCI-H3118",NA,NA,NA,"H3118",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,"salivary_gland",NA,NA,"salivary_gland",NA,NA,NA,NA,NA,NA,"CVCL_A464","H3118_434_2019","H3118","salivary_gland","Parotid gland mucoepidermoid carcinoma","Cancer cell line",NA,"ACH-002239",NA,NA,NA,NA
+"1387","NCI-H3122","Lung",NA,"NCI-H3122",NA,NA,NA,NA,"NCI-H3122","NCI-H3122",NA,NA,"NCI-H3122",NA,NA,NA,"NCI-H3122",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_5160","NCIH3122_1104_2019","NCI-H3122","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000337",NA,NA,NA,NA
+"1388","NCI-H322","Lung",NA,"NCI-H322","NCIH322",NA,"H322T///NCI-H322T",NA,NA,NA,"NCI-H322","NCI-H322",NA,NA,"NCIH322","H322T///NCI-H322T",NA,NA,"NCIH322_LUNG",NA,"lung","lung",NA,"Lung",NA,NA,"lung",NA,NA,NA,"lung","lung",NA,NA,"NCIH322","lung",NA,NA,NA,"lung","CVCL_1556","H322T_435_2019",NA,"lung","Minimally invasive lung adenocarcinoma","Cancer cell line",NA,"ACH-000837",NA,NA,NA,NA
+"1389","NCI-H322M","Lung","NCI-H322M",NA,NA,NA,NA,NA,"NCI-H322M",NA,NA,NA,"NCI-H322M",NA,NA,NA,"NCI-H322M","NCI-H322M///LC.NCI.H322M",NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,"Non-Small Cell Lung Cancer///Non-Small Cell Lung",NA,"CVCL_1557","NCIH322M_1106_2019","NCI-H322M","lung","Minimally invasive lung adenocarcinoma","Cancer cell line",NA,"ACH-002172",NA,NA,NA,NA
+"1390","NCI-H3255","Lung",NA,"NCI-H3255",NA,NA,NA,"NCIH3255","H3255",NA,"NCI-H3255","NCI-H3255","H3255",NA,NA,NA,"H3255",NA,NA,NA,"lung",NA,NA,NA,"LUNG","Lung","lung",NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_6831","H3255_436_2019","H3255","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000109",NA,NA,NA,NA
+"1391","NCI-H345","Lung","NCI-H345",NA,NA,NA,"NCI-H345",NA,"NCI-H345","NCI-H345",NA,NA,"NCI-H345",NA,NA,"NCI-H345","NCI-H345",NA,NA,"lung",NA,NA,NA,"Lung",NA,"lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1558","NCIH345_1109_2019","NCI-H345","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001364",NA,NA,NA,NA
+"1392","NCI-H358","Lung","NCI-H358","NCI-H358","NCIH358",NA,"NCI-H358","NCIH358","NCI-H358",NA,"NCI-H358","NCI-H358","NCI-H358",NA,"NCIH358","NCI-H358","NCI-H358",NA,"NCIH358_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung","lung",NA,NA,NA,"lung","lung","Lung","lung","NCIH358","lung",NA,NA,NA,"lung","CVCL_1559","NCIH358_1110_2019","NCI-H358","lung","Minimally invasive lung adenocarcinoma","Cancer cell line",NA,"ACH-000860",NA,NA,NA,NA
+"1393","NCI-H378","Lung","NCI-H378",NA,NA,NA,NA,NA,"NCI-H378","NCI-H378",NA,NA,"NCI-H378",NA,NA,NA,"NCI-H378",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1560","NCIH378_1111_2019","NCI-H378","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002173",NA,NA,NA,NA
+"1394","NCI-H441","Lung","NCI-H441","NCI-H441","NCIH441",NA,"NCI-H441","NCIH441","NCI-H441",NA,"NCI-H441","NCI-H441","NCI-H441",NA,"NCIH441","NCI-H441","NCI-H441",NA,NA,"lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1561","NCIH441_1112_2019","NCI-H441","lung","Papillary lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000638",NA,NA,NA,NA
+"1395","NCI-H446","Lung","NCI-H446","NCI-H446","NCIH446",NA,"NCI-H446",NA,"NCI-H446",NA,"NCI-H446","NCI-H446","NCI-H446",NA,"NCIH446","NCI-H446","NCI-H446",NA,"NCIH446_LUNG","lung","lung","lung",NA,"Lung",NA,"lung","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH446","lung",NA,NA,NA,"lung","CVCL_1562","NCIH446_1113_2019","NCI-H446","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000800",NA,NA,NA,NA
+"1396","NCI-H460","Lung","NCI-H460","NCI-H460","NCIH460",NA,"NCI-H460","NCIH460",NA,NA,"NCI-H460","NCI-H460","NCI-H460",NA,"NCIH460","NCI-H460","NCI-H460","NCI-H460///LC.NCI.H460","NCIH460_LUNG","lung","lung","lung",NA,"Lung","LUNG",NA,"lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,"Non-Small Cell Lung Cancer///Non-Small Cell Lung","lung","CVCL_0459","NCIH460_1114_2019","NCI-H460","lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000463",NA,NA,NA,NA
+"1397","NCI-H508","Bowel","NCI-H508","NCI-H508","NCIH508",NA,NA,"NCIH508",NA,NA,"NCI-H508","NCI-H508","NCI-H508",NA,"NCIH508",NA,"NCI-H508",NA,NA,"large_intestine","large_intestine","colon",NA,NA,"LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,"large_intestine","NCIH508","large_intestine",NA,NA,NA,NA,"CVCL_1564","NCIH508_1115_2019","NCI-H508","large_intestine","Cecum adenocarcinoma","Cancer cell line",TRUE,"ACH-000360",NA,NA,NA,NA
+"1398","NCI-H510A","Lung","NCI-H510A","NCI-H510",NA,NA,"NCI-H510A",NA,"NCI-H510A","NCI-H510A","NCI-H510","NCI-H510","NCI-H510A",NA,"NCIH510","NCI-H510A","NCI-H510A",NA,NA,"lung","lung",NA,NA,"Lung",NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1565","NCIH510A_1116_2019","NCI-H510A","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000871",NA,NA,NA,NA
+"1399","NCI-H513","Lung",NA,NA,NA,NA,NA,NA,"H513","H513",NA,NA,"H513///NCI-H513",NA,NA,NA,"H513",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,"pleura",NA,NA,"pleura",NA,NA,NA,NA,NA,NA,"CVCL_A570","H513_438_2019","H513","pleura","Adenosquamous lung carcinoma","Cancer cell line",NA,"ACH-002138",NA,NA,NA,NA
+"1400","NCI-H520","Lung","NCI-H520","NCI-H520","NCIH520",NA,"NCI-H520",NA,"NCI-H520",NA,"NCI-H520","NCI-H520","NCI-H520",NA,"NCIH520","NCI-H520","NCI-H520",NA,"NCIH520_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH520","lung",NA,NA,NA,"lung","CVCL_1566","NCIH520_1117_2019","NCI-H520","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000395",NA,NA,NA,NA
+"1401","NCI-H522","Lung","NCI-H522","NCI-H522","NCIH522",NA,"NCI-H522","NCIH522","NCI-H522",NA,"NCI-H522","NCI-H522","NCI-H522",NA,"NCIH522","NCI-H522","NCI-H522","NCI-H522///LC.NCI.H522","NCIH522_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH522","lung",NA,NA,"Non-Small Cell Lung Cancer///Non-Small Cell Lung","lung","CVCL_1567","NCIH522_1118_2019","NCI-H522","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000343",NA,NA,NA,NA
+"1402","NCI-H524","Lung","NCI-H524","NCI-H524","NCIH524",NA,NA,NA,"NCI-H524",NA,"NCI-H524","NCI-H524","NCI-H524",NA,"NCIH524","NCI-H524","NCI-H524",NA,NA,"lung","lung","lung",NA,NA,NA,"lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1568","NCIH524_1119_2019","NCI-H524","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000816",NA,NA,NA,NA
+"1403","NCI-H526","Lung","NCI-H526","NCI-H526","NCIH526",NA,NA,NA,"NCI-H526",NA,"NCI-H526","NCI-H526","NCI-H526",NA,"NCIH526","NCI-H526","NCI-H526",NA,NA,"lung","lung","lung",NA,NA,NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1569","NCIH526_1120_2019","NCI-H526","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000767",NA,NA,NA,NA
+"1404","NCI-H596","Lung","NCI-H596","NCI-H596","NCIH596",NA,"NCI-H596","NCIH596","NCI-H596",NA,"NCI-H596","NCI-H596","NCI-H596",NA,NA,"NCI-H596","NCI-H596",NA,"NCIH596_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,"lung","CVCL_1571","NCIH596_1121_2019","NCI-H596","lung","Adenosquamous lung carcinoma","Cancer cell line",NA,"ACH-000628",NA,NA,NA,NA
+"1405","NCI-H630","Other","NCI-H630",NA,"NCIH630",NA,NA,NA,"NCI-H630","NCI-H630",NA,NA,"NCI-H630",NA,NA,NA,"NCI-H630",NA,NA,"large_intestine",NA,"rectum",NA,NA,NA,"Intestine",NA,"digestive_system",NA,NA,"large_intestine",NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_1572","NCIH630_1122_2019","NCI-H630","large_intestine",NA,"Undefined cell line type",NA,"ACH-002287",NA,NA,NA,NA
+"1406","NCI-H64","Lung","NCI-H64",NA,NA,NA,NA,NA,"NCI-H64","NCI-H64",NA,NA,"NCI-H64",NA,NA,NA,"NCI-H64",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1573","NCIH64_1123_2019","NCI-H64","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001599",NA,NA,NA,NA
+"1407","NCI-H647","Lung",NA,"NCI-H647",NA,NA,NA,NA,"NCI-H647",NA,"NCI-H647","NCI-H647","NCI-H647",NA,"NCIH647","NCI-H647","NCI-H647",NA,NA,NA,"lung",NA,NA,NA,NA,"Lung","lung",NA,NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1574","NCIH647_1124_2019","NCI-H647","lung","Adenosquamous lung carcinoma","Cancer cell line",NA,"ACH-000378",NA,NA,NA,NA
+"1408","NCI-H650","Lung","NCI-H650","NCI-H650","NCIH650",NA,"NCI-H650","NCIH650","NCI-H650",NA,"NCI-H650","NCI-H650","NCI-H650",NA,"NCIH650","NCI-H650","NCI-H650",NA,"NCIH650_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH650","lung",NA,NA,NA,"lung","CVCL_1575","NCIH650_1125_2019","NCI-H650","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000945",NA,NA,NA,NA
+"1409","NCI-H660","Prostate",NA,"NCI-H660","NCIH660",NA,NA,NA,"NCI-H660",NA,"NCI-H660","NCI-H660","NCI-H660",NA,"NCIH660",NA,"NCI-H660",NA,NA,NA,"prostate","prostate",NA,NA,NA,"Prostate","prostate",NA,NA,NA,"prostate","prostate",NA,"prostate",NA,NA,NA,NA,NA,NA,"CVCL_1576","NCIH660_1126_2019","NCI-H660","prostate","Prostate small cell carcinoma","Cancer cell line",TRUE,"ACH-000177",NA,NA,NA,NA
+"1410","NCI-H661","Lung","NCI-H661","NCI-H661","NCIH661",NA,NA,"NCIH661","NCI-H661","NCI-H661","NCI-H661","NCI-H661","NCI-H661",NA,"NCIH661","NCI-H661","NCI-H661",NA,"NCIH661_LUNG","lung","lung","lung",NA,NA,"LUNG","Lung","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH661","lung",NA,NA,NA,"lung","CVCL_1577","NCIH661_1127_2019","NCI-H661","lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000853",NA,NA,NA,NA
+"1411","NCI-H684","Bowel",NA,"NCI-H684",NA,NA,NA,NA,NA,NA,"NCI-H684","NCI-H684",NA,NA,NA,NA,NA,NA,NA,NA,"liver",NA,NA,NA,NA,NA,"liver",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_9980","NCIH684_1128_2019",NA,"liver","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000089",NA,NA,NA,NA
+"1412","NCI-H69","Lung","NCI-H69","NCI-H69","NCIH69",NA,NA,NA,"NCI-H69",NA,"NCI-H69","NCI-H69","NCI-H69",NA,"NCIH69",NA,"NCI-H69",NA,NA,"lung","lung","lung",NA,NA,NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH69","lung",NA,NA,NA,NA,"CVCL_1579","NCIH69_1129_2019","NCI-H69","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000358",NA,NA,NA,NA
+"1413","NCI-H716","Bowel","NCI-H716","NCI-H716","NCIH716",NA,"NCI-H716",NA,"NCI-H716",NA,"NCI-H716","NCI-H716","NCI-H716",NA,"NCIH716","NCI-H716","NCI-H716",NA,NA,"large_intestine","large_intestine","colon",NA,"Cecum",NA,"large_intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Unclassified","large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_1581","NCIH716_1130_2019","NCI-H716","large_intestine","Cecum adenocarcinoma","Cancer cell line",TRUE,"ACH-000491",NA,NA,NA,NA
+"1414","NCI-H719","Lung","NCI-H719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1582","NCIH719_1131_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1415","NCI-H720","Lung","NCI-H720",NA,"NCIH720",NA,NA,NA,"NCI-H720","NCI-H720",NA,NA,"NCI-H720",NA,NA,NA,"NCI-H720",NA,NA,"lung",NA,"lung",NA,NA,NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1583","NCIH720_1132_2019","NCI-H720","lung","Lung carcinoid tumor","Cancer cell line",NA,"ACH-002174",NA,NA,NA,NA
+"1416","NCI-H727","Lung","NCI-H727","NCI-H727","NCIH727",NA,"NCI-H727","NCIH727","NCI-H727",NA,"NCI-H727","NCI-H727","NCI-H727",NA,"NCIH727","NCI-H727","NCI-H727",NA,"NCIH727_LUNG","lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung","lung","Lung","lung","NCIH727","lung",NA,NA,NA,"lung","CVCL_1584","NCIH727_1133_2019","NCI-H727","lung","Lung carcinoid tumor","Cancer cell line",NA,"ACH-000775",NA,NA,NA,NA
+"1417","NCI-H735","Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1585","NCIH735_1134_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1418","NCI-H740","Lung",NA,NA,NA,NA,NA,NA,"NCI-H740","NCI-H740",NA,NA,"NCI-H740",NA,NA,NA,"NCI-H740",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1586","NCIH740_1135_2019","NCI-H740","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002175",NA,NA,NA,NA
+"1419","NCI-H747","Bowel","NCI-H747","NCI-H747","NCIH747",NA,NA,NA,"NCI-H747",NA,"NCI-H747","NCI-H747","NCI-H747",NA,"NCIH747",NA,"NCI-H747",NA,"NCIH747_LARGE_INTESTINE","large_intestine","large_intestine","colon",NA,NA,NA,"Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine",NA,"large_intestine","NCIH747","large_intestine",NA,NA,NA,"colorectal","CVCL_1587","NCIH747_1136_2019","NCI-H747","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000403",NA,NA,NA,NA
+"1420","NCI-H748","Lung","NCI-H748",NA,"NCIH748",NA,NA,NA,"NCI-H748","NCI-H748",NA,NA,"NCI-H748",NA,NA,NA,"NCI-H748",NA,NA,"lung",NA,"lung",NA,NA,NA,"lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1588","NCIH748_1137_2019","NCI-H748","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002176",NA,NA,NA,NA
+"1421","NCI-H810","Lung","NCI-H810","NCI-H810","NCIH810",NA,"NCI-H810","NCIH810","NCI-H810",NA,"NCI-H810","NCI-H810","NCI-H810",NA,"NCIH810","NCI-H810","NCI-H810",NA,NA,"lung","lung","lung",NA,"Lung","LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH810","lung",NA,NA,NA,NA,"CVCL_1590","NCIH810_1138_2019","NCI-H810","lung","Large cell lung carcinoma","Cancer cell line",NA,"ACH-000789",NA,NA,NA,NA
+"1422","NCI-H82","Lung","NCI-H82","NCI-H82","NCIH82",NA,"NCI-H82","NCIH82","NCI-H82",NA,"NCI-H82","NCI-H82","NCI-H82",NA,NA,"NCI-H82","NCI-H82",NA,NA,"lung","lung","lung",NA,"Lung","LUNG","Lung","lung","lung",NA,NA,"lung",NA,"Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1591","NCIH82_1139_2019","NCI-H82","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000355",NA,NA,NA,NA
+"1423","NCI-H820","Lung",NA,NA,NA,NA,"NCI-H820",NA,NA,NA,NA,NA,"NCI-H820",NA,NA,"NCI-H820",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1592","NCIH820_1140_2019",NA,"lung","Papillary lung adenocarcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1424","NCI-H835","Lung",NA,NA,NA,NA,NA,NA,"NCI-H835","NCI-H835",NA,NA,"NCI-H835",NA,NA,NA,"NCI-H835",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1593","NCIH835_1141_2019","NCI-H835","lung","Lung carcinoid tumor","Cancer cell line",NA,"ACH-002177",NA,NA,NA,NA
+"1425","NCI-H838","Lung","NCI-H838","NCI-H838","NCIH838",NA,NA,NA,"NCI-H838",NA,"NCI-H838","NCI-H838","NCI-H838",NA,"NCIH838","NCI-H838","NCI-H838",NA,"NCIH838_LUNG","lung","lung","lung",NA,NA,NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung","NCIH838","lung",NA,NA,NA,"lung","CVCL_1594","NCIH838_1142_2019","NCI-H838","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000416",NA,NA,NA,NA
+"1426","NCI-H841","Lung",NA,"NCI-H841",NA,NA,NA,"NCIH841","NCI-H841",NA,"NCI-H841","NCI-H841","NCI-H841",NA,"NCIH841","NCI-H841","NCI-H841",NA,"NCIH841_LUNG",NA,"lung",NA,NA,NA,"LUNG","Lung","lung",NA,NA,NA,"lung","lung",NA,"lung","NCIH841","lung",NA,NA,NA,"lung","CVCL_1595","NCIH841_1143_2019","NCI-H841","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000292",NA,NA,NA,NA
+"1427","NCI-H847","Lung",NA,NA,NA,NA,"NCI-H847",NA,"NCI-H847","NCI-H847",NA,NA,"NCI-H847",NA,NA,"NCI-H847","NCI-H847",NA,NA,NA,NA,NA,NA,"Lung",NA,"Lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1596","NCIH847_1144_2019","NCI-H847","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001365",NA,NA,NA,NA
+"1428","NCI-H854","Other",NA,"NCI-H854",NA,NA,NA,NA,NA,NA,"NCI-H854","NCI-H854",NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A584","NCIH854_1145_2019",NA,"lung","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000710",NA,NA,NA,NA
+"1429","NCI-H865","Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1597","NCIH865_1146_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1430","NCI-H889","Lung","NCI-H889","NCI-H889",NA,NA,"NCI-H889",NA,NA,NA,"NCI-H889","NCI-H889",NA,NA,"NCIH889","NCI-H889",NA,NA,NA,"lung","lung",NA,NA,"Lung",NA,NA,"lung",NA,NA,NA,"lung","lung","Lung",NA,NA,NA,NA,NA,NA,NA,"CVCL_1598","NCIH889_1147_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000297",NA,NA,NA,NA
+"1431","NCI-H920","Lung",NA,NA,NA,NA,"NCI-H920",NA,NA,NA,NA,NA,NA,NA,NA,"NCI-H920",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1599","NCIH920_1148_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1432","NCI-H929","Lymphoid",NA,"NCI-H929",NA,NA,"NCI-H929",NA,"NCI-H929",NA,"NCI-H929","NCI-H929","NCI-H929",NA,"NCIH929","NCI-H929","NCI-H929",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Bone Marrow",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1600","NCIH929_1149_2019","NCI-H929","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000050",NA,NA,NA,NA
+"1433","NCI-N417","Lung","NCI-N417",NA,NA,NA,"NCI-N417",NA,NA,NA,NA,NA,NA,NA,NA,"NCI-N417",NA,NA,NA,"lung",NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1602","NCIN417_1150_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1434","NCI-N87","Esophagus/Stomach","NCI-N87","NCI-N87","NCIN87",NA,"NCI-N87",NA,"NCI-N87",NA,"NCI-N87","NCI-N87","NCI-N87",NA,"NCIN87","NCI-N87","NCI-N87",NA,"NCIN87_STOMACH","stomach","stomach","stomach",NA,"Stomach",NA,"Stomach","stomach","digestive_system",NA,NA,"stomach","stomach","Stomach","stomach","NCIN87","stomach",NA,NA,NA,"gastric","CVCL_1603","NCIN87_1151_2019","NCI-N87","stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-000427",NA,NA,NA,NA
+"1435","NCO2","Myeloid",NA,"NCO2",NA,NA,NA,NA,NA,NA,"NCO2","NCO2",NA,NA,"NCO2",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3043","NCO2_1155_2019",NA,"haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Cancer cell line",NA,"ACH-000076",NA,NA,NA,NA
+"1436","ND-1","Prostate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ND-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prostate Cancer",NA,"CVCL_4781","ND-114372021_",NA,NA,"Prostate carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1437","NEC8","Testis","NEC8",NA,NA,NA,NA,NA,"NEC8","NEC8",NA,NA,"NEC8",NA,NA,NA,"NEC8",NA,NA,"testis",NA,NA,NA,NA,NA,"testis",NA,"urogenital_system",NA,NA,"testis",NA,NA,"testis",NA,NA,NA,NA,NA,NA,"CVCL_1604","NEC8_1156_2019","NEC8","testis","Testicular embryonal carcinoma","Cancer cell line",NA,"ACH-002288",NA,NA,NA,NA
+"1438","NGP","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2141","NGP14392021_",NA,NA,NA,NA,NA,"ACH-001366",NA,NA,NA,NA
+"1439","NH-12","Peripheral Nervous System","NH-12",NA,NA,NA,NA,NA,"NH-12","NH-12",NA,NA,"NH-12",NA,NA,NA,"NH-12",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"Kidney",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1605","NH12_1157_2019","NH-12","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-001603",NA,NA,NA,NA
+"1440","NH-6","Peripheral Nervous System","NH-6","NH-6",NA,NA,NA,NA,NA,NA,"NH-6","NH-6",NA,NA,"NH6",NA,NA,NA,NA,"autonomic_ganglia","autonomic_ganglia",NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,"autonomic_ganglia","autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1606","NH6_1158_2019",NA,"autonomic_ganglia","Adrenal gland neuroblastoma","Cancer cell line",NA,"ACH-000203",NA,NA,NA,NA
+"1441","NHAHTDD","CNS/Brain",NA,"NHAHTDD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WS73","NHAHTDD14422021_",NA,"central_nervous_system",NA,"Transformed cell line",NA,"ACH-001142",NA,NA,NA,NA
+"1442","NK-92MI","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NK-92MI",NA,NA,NA,"NK-92MI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lymphoma",NA,NA,NA,NA,NA,NA,"CVCL_3755","NK92MI_1160_2019","NK-92MI","haematopoietic_and_lymphoid_tissue","Natural killer cell lymphoblastic leukemia/lymphoma","Cancer cell line",NA,"ACH-002289",NA,NA,NA,NA
+"1443","NKL","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0466","NKL14442021_",NA,NA,NA,NA,NA,"ACH-001143",NA,NA,NA,NA
+"1444","NKM-1","Myeloid","NKM-1",NA,NA,NA,NA,NA,"NKM-1","NKM-1",NA,NA,"NKM-1",NA,NA,NA,"NKM-1",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1607","NKM1_1161_2019","NKM-1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-002290",NA,NA,NA,NA
+"1445","NL-SCLC3","Lung",NA,NA,"SCLC3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NL-SCLC314462021_",NA,"lung","Small cell lung carcinoma",NA,NA,NA,NA,NA,NA,NA
+"1446","NMB","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2143","NMB14472021_",NA,NA,NA,NA,NA,"ACH-001367",NA,NA,NA,NA
+"1447","NMC-G1","CNS/Brain","NMC-G1","NMC-G1",NA,NA,NA,NA,"NMC-G1",NA,"NMC-G1","NMC-G1","NMC-G1",NA,"NMCG1",NA,"NMC-G1",NA,NA,"central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1608","NMCG1_1162_2019","NMC-G1","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000200",NA,NA,NA,NA
+"1448","NOMO-1","Myeloid","NOMO-1","NOMO-1",NA,NA,NA,"NOMO1","NOMO-1",NA,"NOMO-1","NOMO-1","NOMO-1",NA,"NOMO1","NOMO-1","NOMO-1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,"NOMO1","blood",NA,NA,"CVCL_1609","NOMO1_1165_2019","NOMO-1","haematopoietic_and_lymphoid_tissue","Adult acute monocytic leukemia","Cancer cell line",NA,"ACH-000168",NA,NA,NA,NA
+"1449","NOS-1 [Human osteosarcoma]","Bone","NOS-1",NA,NA,NA,NA,NA,"NOS-1","NOS-1",NA,NA,"NOS-1",NA,NA,NA,"NOS-1",NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1610","NOS1_1166_2019","NOS-1","bone","Osteosarcoma","Cancer cell line",NA,"ACH-002067",NA,NA,NA,NA
+"1450","NOZ","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3079","NOZ14512021_",NA,NA,NA,NA,NA,"ACH-001607",NA,NA,NA,NA
+"1451","NP-5","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1R17","NP-514522021_",NA,NA,NA,NA,NA,"ACH-001610",NA,NA,NA,NA
+"1452","NP-8","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4W66","NP-814532021_",NA,NA,NA,NA,NA,"ACH-001611",NA,NA,NA,NA
+"1453","NP2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A9SM","NP214542021_",NA,NA,NA,NA,NA,"ACH-001608",NA,NA,NA,NA
+"1454","NP3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A9SN","NP314552021_",NA,NA,NA,NA,NA,"ACH-001609",NA,NA,NA,NA
+"1455","NT2-D1","Testis","NTERA-S-cl-D1",NA,NA,NA,NA,NA,"NTERA-S-cl-D1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"testis",NA,NA,NA,NA,NA,"Testes",NA,NA,NA,NA,"testis",NA,NA,"testis",NA,NA,NA,NA,NA,NA,"CVCL_3407","NTERASclD1_1169_2019","NTERA-2_cl_D1","testis","Embryonal carcinoma","Cancer cell line",TRUE,"ACH-002291",NA,NA,NA,NA
+"1456","NTERA-2","Testis",NA,NA,NA,NA,"NTERA-2",NA,NA,"NTERA-2cl-D1",NA,NA,"NTERA-2_cl.D1",NA,NA,"NTERA-2","NTERA-2 cl.D1",NA,NA,NA,NA,NA,NA,"Testis",NA,NA,NA,NA,NA,NA,NA,NA,NA,"testis",NA,NA,NA,NA,NA,NA,"CVCL_0034","NTERA2_1167_2019",NA,"testis","Embryonal carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1457","NU-DHL-1","Lymphoid",NA,"NU-DHL-1",NA,NA,NA,NA,NA,NA,"NU-DHL-1","NU-DHL-1",NA,NA,"NUDHL1",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1876","NUDHL1_1170_2019",NA,"haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000388",NA,NA,NA,NA
+"1458","NU-DUL-1","Lymphoid",NA,"NU-DUL-1",NA,NA,"NU-DUL-1","NUDUL1","NU-DUL-1",NA,"NU-DUL-1","NU-DUL-1","NU-DUL-1",NA,"NUDUL1","NU-DUL-1","NU-DUL-1",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1877","NUDUL1_1171_2019","NU-DUL-1","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma activated B-cell type","Cancer cell line",NA,"ACH-000287",NA,NA,NA,NA
+"1459","NUGC-2","Esophagus/Stomach",NA,"NUGC-2",NA,NA,"NUGC-2",NA,NA,NA,"NUGC-2","NUGC-2",NA,NA,NA,"NUGC-2",NA,NA,NA,NA,"stomach",NA,NA,"Stomach",NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1611","NUGC2_1172_2019",NA,"stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000761",NA,NA,NA,NA
+"1460","NUGC-3","Esophagus/Stomach","NUGC-3","NUGC-3",NA,NA,"NUGC-3",NA,"NUGC-3",NA,"NUGC-3","NUGC-3","NUGC-3",NA,"NUGC3","NUGC-3","NUGC-3",NA,"NUGC3_STOMACH","stomach","stomach",NA,NA,"Stomach",NA,"Stomach","stomach","digestive_system",NA,NA,"stomach","stomach","Stomach","stomach","NUGC3","stomach",NA,NA,NA,"gastric","CVCL_1612","NUGC3_1173_2019","NUGC-3","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000911",NA,NA,NA,NA
+"1461","NUGC-4","Esophagus/Stomach",NA,"NUGC-4",NA,NA,"NUGC-4","NUGC4","NUGC-4",NA,"NUGC-4","NUGC-4","NUGC-4",NA,"NUGC4","NUGC-4","NUGC-4",NA,"NUGC4_STOMACH",NA,"stomach",NA,NA,"Stomach","STOMACH","Stomach","stomach",NA,NA,NA,"stomach","stomach","Stomach","stomach","NUGC4","stomach",NA,NA,NA,"gastric","CVCL_3082","NUGC4_1174_2019","NUGC-4","stomach","Signet ring cell gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000674",NA,NA,NA,NA
+"1462","NY","Bone","NY",NA,NA,NA,NA,NA,"NY","NY",NA,NA,"NY",NA,NA,NA,"NY",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1613","NY_1175_2019","NY","bone","Osteosarcoma","Cancer cell line",NA,"ACH-002178",NA,NA,NA,NA
+"1463","NYH/ICRF-187-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NYH/ICRF-187-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Non-Small Cell Lung Cancer",NA,NA,"NYH/ICRF-187-114642021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1464","NZOV9","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_LJ73","NZOV914652021_",NA,NA,NA,NA,NA,"ACH-001991",NA,NA,NA,NA
+"1465","Namalwa","Lymphoid",NA,"NAMALWA","NAMALWA",NA,"NAMALWA",NA,"NAMALWA",NA,"NAMALWA","NAMALWA","NAMALWA",NA,"NAMALWA","NAMALWA","NAMALWA",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0067","NAMALWA_981_2019","NAMALWA","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-000944",NA,NA,NA,NA
+"1466","OACM5.1 C","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"OACM5-1","OACM5-1",NA,NA,"OACM5-1",NA,NA,NA,"OACM5-1",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,NA,NA,NA,"esophagus",NA,NA,NA,NA,NA,NA,"CVCL_1842","OACM51_1176_2019","OACM5-1","oesophagus","Esophageal adenocarcinoma","Cancer cell line",TRUE,"ACH-001368",NA,NA,NA,NA
+"1467","OACP4 C","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"OACp4C","OACp4C",NA,NA,"OACp4C",NA,NA,NA,"OACp4C",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,NA,NA,NA,"esophagus",NA,NA,NA,NA,NA,NA,"CVCL_1843","OACp4C_1177_2019","OACp4C","oesophagus","Esophageal adenocarcinoma","Cancer cell line",NA,"ACH-002292",NA,NA,NA,NA
+"1468","OAW28","Ovary/Fallopian Tube","OAW-28","OAW28",NA,NA,"OAW28",NA,"OAW-28",NA,"OAW28","OAW28","OAW-28",NA,"OAW28","OAW-28","OAW-28",NA,NA,"ovary","ovary",NA,NA,"Ovary",NA,"Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary",NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_1614","OAW28_1178_2019","OAW-28","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000116",NA,NA,NA,NA
+"1469","OAW42","Ovary/Fallopian Tube","OAW-42","OAW42",NA,NA,"OAW42","OAW42","OAW-42",NA,"OAW42","OAW42","OAW-42",NA,"OAW42","OAW42","OAW-42",NA,"OAW42_OVARY","ovary","ovary",NA,NA,"Ovary","OVARY","Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary","Ovary","ovary","OAW42","ovary",NA,NA,NA,"ovary","CVCL_1615","OAW42_1179_2019","OAW-42","ovary","Ovarian cystadenocarcinoma","Cancer cell line",TRUE,"ACH-000704",NA,NA,NA,NA
+"1470","OC 314","Ovary/Fallopian Tube","OC-314","OC 314",NA,NA,NA,NA,"OC-314",NA,"OC_314","OC_314","OC-314",NA,"OC314",NA,"OC-314",NA,"OC314_OVARY","ovary","ovary",NA,NA,NA,NA,"Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary",NA,"ovary","OC314","ovary",NA,NA,NA,"ovary","CVCL_1616","OC314_1182_2019","OC-314","ovary","Ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000962",NA,NA,NA,NA
+"1471","OC 315","Ovary/Fallopian Tube",NA,"OC 315",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1617","OC315_1180_2019",NA,"ovary","Ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-001144",NA,NA,NA,NA
+"1472","OC 316","Ovary/Fallopian Tube",NA,"OC 316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC316_OVARY",NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ovary","CVCL_1618","OC316_1181_2019",NA,"ovary","Ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-001145",NA,NA,NA,NA
+"1473","OCI-AML-2","Myeloid","OCI-AML2","OCI-AML2",NA,NA,"OCI-AML2",NA,"OCI-AML2",NA,"OCI-AML2","OCI-AML2","OCI-AML2",NA,"OCIAML2","OCI-AML2","OCI-AML2",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,"OCIAML2","blood",NA,NA,"CVCL_1619","OCIAML2_1183_2019","OCI-AML2","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000113",NA,NA,NA,NA
+"1474","OCI-AML-3","Myeloid",NA,"OCI-AML3",NA,NA,"OCI-AML3","OCIAML3","OCI-AML3",NA,"OCI-AML3","OCI-AML3","OCI-AML3",NA,"OCIAML3","OCI-AML3","OCI-AML3",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1844","OCIAML3_1184_2019","OCI-AML3","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000336",NA,NA,NA,NA
+"1475","OCI-AML-4","Myeloid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5224","OCI-AML-414762021_",NA,NA,NA,NA,NA,"ACH-001613",NA,NA,NA,NA
+"1476","OCI-AML-5","Myeloid",NA,"OCI-AML5",NA,NA,"OCI-AML5",NA,"OCI-AML5",NA,"OCI-AML5","OCI-AML5","OCI-AML5",NA,"OCIAML5","OCI-AML5","OCI-AML5",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,"OCIAML5","blood",NA,NA,"CVCL_1620","OCIAML5_1185_2019","OCI-AML5","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000065",NA,NA,NA,NA
+"1477","OCI-C4p","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_DH05","OCI-C4p14782021_",NA,NA,NA,NA,NA,"ACH-001719",NA,NA,NA,NA
+"1478","OCI-C5x","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_DH06","OCI-C5x14792021_",NA,NA,NA,NA,NA,"ACH-001369",NA,NA,NA,NA
+"1479","OCI-Ly10","Lymphoid",NA,"OCI-LY10",NA,NA,"OCI-LY-10","OCILY10",NA,NA,NA,NA,NA,NA,"OCILY10","OCI-LY-10",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid",NA,NA,NA,NA,NA,NA,NA,"CVCL_8795","OCILY10_1188_2019",NA,"haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-001146",NA,NA,NA,NA
+"1480","OCI-Ly12","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8796","OCI-Ly1214812021_",NA,NA,NA,NA,NA,"ACH-001147",NA,NA,NA,NA
+"1481","OCI-Ly13.2","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8797","OCI-Ly13.214822021_",NA,NA,NA,NA,NA,"ACH-001148",NA,NA,NA,NA
+"1482","OCI-Ly18","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1880","OCI-Ly1814832021_",NA,NA,NA,NA,NA,"ACH-001616",NA,NA,NA,NA
+"1483","OCI-Ly19","Lymphoid",NA,"OCI-LY-19",NA,NA,"OCI-LY-19",NA,"OCI-LY-19",NA,"OCI-LY-19","OCI-LY-19","OCI-LY-19",NA,"OCILY19","OCI-LY-19","OCI-LY-19",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1878","OCILY19_1186_2019","OCI-LY-19","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000124",NA,NA,NA,NA
+"1484","OCI-Ly3","Lymphoid",NA,"OCI-LY3",NA,NA,"OCI-LY-3",NA,NA,NA,"OCI-LY3","OCI-LY3",NA,NA,"OCILY3","OCI-LY-3",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8800","OCILY3_1189_2019",NA,"haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000158",NA,NA,NA,NA
+"1485","OCI-Ly7","Lymphoid",NA,NA,NA,NA,"OCI-LY-7",NA,"OCI-LY7","OCI-LY7",NA,NA,"OCI-LY7",NA,NA,"OCI-LY-7","OCI-LY7",NA,NA,NA,NA,NA,NA,"Lymph Node",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1881","OCILY7_1187_2019","OCI-LY7","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-001617",NA,NA,NA,NA
+"1486","OCI-M1","Myeloid",NA,"OCI-M1",NA,NA,"OCI-M1",NA,"OCI-M1",NA,"OCI-M1","OCI-M1","OCI-M1",NA,"OCIM1","OCI-M1","OCI-M1",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2149","OCIM1_1190_2019","OCI-M1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000751",NA,NA,NA,NA
+"1487","OCI-M2","Myeloid",NA,NA,NA,NA,"OCI-M2",NA,NA,NA,NA,NA,NA,NA,NA,"OCI-M2",NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2150","OCIM2_1191_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-001618",NA,NA,NA,NA
+"1488","OCI-My5","Lymphoid",NA,"OCIMY5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E332","OCI-My514892021_",NA,"haematopoietic_and_lymphoid_tissue",NA,"Cancer cell line",NA,"ACH-000854",NA,NA,NA,NA
+"1489","OCI-My7","Lymphoid",NA,"OCI-MY7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E333","OCI-My714902021_",NA,"haematopoietic_and_lymphoid_tissue",NA,"Cancer cell line",NA,"ACH-000436",NA,NA,NA,NA
+"1490","OCIP5X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OCIP5X14912021_",NA,NA,NA,NA,NA,"ACH-001370",NA,NA,NA,NA
+"1491","OCUB-M","Breast","OCUB-M",NA,NA,NA,NA,NA,"OCUB-M","OCUB-M",NA,NA,"OCUB-M","ocubm///ocub1",NA,NA,"OCUB-M",NA,NA,"breast",NA,NA,NA,NA,NA,"Breast",NA,"breast","14-ocub1///OCUB-1","breast","breast",NA,NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_1621","OCUBM_1192_2019","OCUB-M","breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-002179",NA,NA,NA,NA
+"1492","OCUG-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3083","OCUG-114932021_",NA,NA,NA,NA,NA,"ACH-001619",NA,NA,NA,NA
+"1493","OCUM-1","Esophagus/Stomach",NA,"OCUM-1",NA,NA,"OCUM-1",NA,"OCUM-1",NA,"OCUM-1","OCUM-1","OCUM-1",NA,"OCUM1","OCUM-1","OCUM-1",NA,NA,NA,"stomach",NA,NA,"Stomach",NA,"Stomach","stomach",NA,NA,NA,"stomach","stomach","Stomach","stomach","OCUM1","stomach",NA,NA,NA,NA,"CVCL_3084","OCUM1_1193_2019","OCUM-1","stomach","Signet ring cell gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000247",NA,NA,NA,NA
+"1494","OE19","Esophagus/Stomach","OE19","OE19","OE19",NA,NA,NA,"OE19",NA,"OE19","OE19","OE19",NA,"OE19","OE19","OE19",NA,"OE19_OESOPHAGUS","oesophagus","oesophagus","esophagus",NA,NA,NA,"Esophag","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","OE19","oesophagus",NA,NA,NA,"esophagus","CVCL_1622","OE19_1194_2019","OE19","oesophagus","Esophageal adenocarcinoma","Cancer cell line",NA,"ACH-000679",NA,NA,NA,NA
+"1495","OE21","Esophagus/Stomach",NA,"OE21","OE21",NA,NA,NA,"OE21",NA,"OE21","OE21","OE21",NA,"OE21","OE21","OE21",NA,"OE21_OESOPHAGUS",NA,"oesophagus","esophagus",NA,NA,NA,"Esophagus","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive_tract","oesophagus","Esophagus","upper_aerodigestive_tract","OE21","oesophagus",NA,NA,NA,"esophagus","CVCL_2661","OE21_1195_2019","OE21","upper_aerodigestive_tract","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000544",NA,NA,NA,NA
+"1496","OE33","Esophagus/Stomach","OE33","OE33","OE33",NA,NA,NA,"OE33",NA,"OE33","OE33","OE33",NA,"OE33","OE33","OE33",NA,"OE33_OESOPHAGUS","oesophagus","oesophagus","esophagus",NA,NA,NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus","Esophagus","oesophagus","OE33","oesophagus",NA,NA,NA,"esophagus","CVCL_0471","OE33_1196_2019","OE33","oesophagus","Barrett adenocarcinoma","Cancer cell line",NA,"ACH-000383",NA,NA,NA,NA
+"1497","OELE","Ovary/Fallopian Tube",NA,"OELE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_IW56","OELE_1197_2019",NA,"ovary",NA,"Transformed cell line",NA,"ACH-000494",NA,NA,NA,NA
+"1498","OESO_009","Other",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OESO_009",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,NA,"OESO_00914992021_",NA,"oesophagus",NA,NA,NA,NA,NA,NA,NA,NA
+"1499","OESO_040","Other",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OESO_040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,NA,"OESO_04015002021_",NA,"oesophagus",NA,NA,NA,NA,NA,NA,NA,NA
+"1500","OHS","Bone",NA,NA,NA,NA,NA,NA,NA,"OHS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_B450","OHS15012021_",NA,"bone","Osteosarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1501","OMC-1 [Human cervical carcinoma]","Cervix","OMC-1",NA,NA,NA,NA,NA,NA,"OMC-1",NA,NA,"OMC-1",NA,NA,NA,"OMC-1",NA,NA,"cervix",NA,NA,NA,NA,NA,NA,NA,"urogenital_system",NA,NA,"cervix",NA,NA,"cervix",NA,NA,NA,NA,NA,NA,"CVCL_1623","OMC1_1199_2019","OMC-1","cervix","Cervical squamous cell carcinoma","Cancer cell line",TRUE,"ACH-002180",NA,NA,NA,NA
+"1502","OMM-1","Eye",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6939","OMM-115032021_",NA,NA,NA,NA,NA,"ACH-002017",NA,NA,NA,NA
+"1503","OMM25",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OMM2515042021_",NA,NA,NA,NA,NA,"ACH-002018",NA,NA,NA,NA
+"1504","ONCO-DG-1","Ovary/Fallopian Tube",NA,"ONCO-DG-1",NA,NA,NA,NA,NA,NA,"ONCO-DG-1","ONCO-DG-1",NA,NA,"ONCODG1","ONCO-DG-1",NA,NA,"ONCODG1_OVARY",NA,"ovary",NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,"ovary","Ovary",NA,"ONCODG1","ovary",NA,NA,NA,"ovary","CVCL_1882","ONCODG1_1200_2019",NA,"ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000013",NA,NA,NA,NA
+"1505","ONS-76","CNS/Brain","ONS-76","ONS-76",NA,NA,NA,NA,"ONS-76",NA,"ONS-76","ONS-76","ONS-76",NA,"ONS76","ONS-76","ONS-76",NA,"ONS76_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","ONS76","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1624","ONS76_1201_2019","ONS-76","central_nervous_system","Medulloblastoma","Cancer cell line",NA,"ACH-000776",NA,NA,NA,NA
+"1506","OPM-1","Lymphoid",NA,"OPM-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5210","OPM-115072021_",NA,"haematopoietic_and_lymphoid_tissue",NA,"Cancer cell line",NA,"ACH-000057",NA,NA,NA,NA
+"1507","OPM-2","Lymphoid","OPM-2","OPM-2",NA,NA,"OPM-2",NA,"OPM-2",NA,"OPM-2","OPM-2","OPM-2",NA,"OPM2","OPM-2","OPM-2",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1625","OPM2_1202_2019","OPM-2","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000024",NA,NA,NA,NA
+"1508","OS-RC-2","Kidney","OS-RC-2","OS-RC-2",NA,NA,NA,NA,"OS-RC-2",NA,"OS-RC-2","OS-RC-2","OS-RC-2",NA,"OSRC2",NA,"OS-RC-2",NA,"OSRC2_KIDNEY","kidney","kidney",NA,NA,NA,NA,"Kidney","kidney","kidney",NA,NA,"kidney","kidney",NA,"kidney","OSRC2","kidney",NA,NA,NA,"kidney","CVCL_1626","OSRC2_1203_2019","OS-RC-2","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000159",NA,NA,NA,NA
+"1509","OS252","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WU66","OS25215102021_",NA,NA,NA,NA,NA,"ACH-001814",NA,NA,NA,NA
+"1510","OSA-80","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_EQ73","OSA80_1204_2019",NA,"bone","Osteosarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1511","OSC-19","Head and Neck",NA,NA,NA,NA,NA,NA,"OSC-19","OSC-19",NA,NA,"OSC-19",NA,NA,"OSC-19","OSC-19",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_3086","OSC19_1205_2019","OSC-19","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001625",NA,NA,NA,NA
+"1512","OSC-20","Head and Neck",NA,NA,NA,NA,NA,NA,"OSC-20","OSC-20",NA,NA,"OSC-20",NA,NA,"OSC-20","OSC-20",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_3087","OSC20_1206_2019","OSC-20","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001626",NA,NA,NA,NA
+"1513","OST","Cervix",NA,NA,NA,NA,NA,NA,NA,"OST",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_8399","OST15142021_",NA,"bone","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1514","OUMS-23","Bowel",NA,"OUMS-23",NA,NA,"OUMS-23",NA,NA,NA,"OUMS-23","OUMS-23","OUMS-23",NA,"OUMS23","OUMS-23",NA,NA,"OUMS23_LARGE_INTESTINE",NA,"large_intestine",NA,NA,"Colon",NA,NA,"large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,"large_intestine",NA,NA,NA,NA,NA,"colorectal","CVCL_3088","OUMS23_1207_2019",NA,"large_intestine","Colon carcinoma","Cancer cell line",TRUE,"ACH-000296",NA,NA,NA,NA
+"1515","OUMS-27","Bone",NA,"OUMS-27",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3090","OUMS27_1208_2019",NA,"bone","Primary central chondrosarcoma","Cancer cell line",NA,"ACH-001150",NA,NA,NA,NA
+"1516","OV-90","Ovary/Fallopian Tube",NA,"OV-90","OV90",NA,"OV-90","OV90","OV-90",NA,"OV-90","OV-90","OV-90",NA,"OV90","OV-90","OV-90",NA,NA,NA,"ovary","ovary",NA,"Ovary","OVARY","Ovary","ovary",NA,NA,NA,"ovary","ovary","Ovary","ovary","OV90","ovary","OV90","ovary",NA,NA,"CVCL_3768","OV90_1210_2019","OV-90","ovary","Ovarian adenocarcinoma","Cancer cell line",TRUE,"ACH-000291",NA,NA,NA,NA
+"1517","OV17R","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,"OV-17R","OV-17R",NA,NA,"OV-17R",NA,NA,NA,"OV-17R",NA,NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_2672","OV17R_1209_2019","OV-17R","ovary","Ovarian adenocarcinoma","Cancer cell line",TRUE,"ACH-001373",NA,NA,NA,NA
+"1518","OV56","Ovary/Fallopian Tube",NA,"OV56",NA,NA,"OV56",NA,"OV-56",NA,"OV56","OV56","OV-56",NA,"OV56","OV56","OV-56",NA,"OV56_OVARY",NA,"ovary",NA,NA,"Ovary",NA,"ovary","ovary",NA,NA,NA,NA,"ovary",NA,"ovary","OV56","ovary",NA,NA,NA,"ovary","CVCL_2673","OV56_1211_2019","OV-56","ovary","Ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000091",NA,NA,NA,NA
+"1519","OV7","Ovary/Fallopian Tube",NA,"OV7",NA,NA,"OV7","OV7","OV-7",NA,"OV7","OV7","OV-7",NA,"OV7","OV7","OV-7",NA,"OV7_OVARY",NA,"ovary",NA,NA,"Ovary","OVARY","Ovary","ovary",NA,NA,NA,NA,"ovary",NA,"ovary","OV7","ovary",NA,NA,NA,"ovary","CVCL_2675","OV7_1212_2019","OV-7","ovary","Ovarian carcinoma","Cancer cell line",NA,"ACH-000688",NA,NA,NA,NA
+"1520","OVCA420","Ovary/Fallopian Tube",NA,NA,NA,NA,"OVCA 420",NA,"OVCA420","OVCA420",NA,NA,"OVCA420",NA,NA,"OVCA 420","OVCA420",NA,NA,NA,NA,NA,NA,"Ovary",NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_3935","OVCA420_1213_2019","OVCA420","ovary","Ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-002181",NA,NA,NA,NA
+"1521","OVCA429","Ovary/Fallopian Tube",NA,NA,NA,NA,"OvCA 429",NA,NA,NA,NA,NA,NA,NA,NA,"OvCA 429",NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3936","OvCA429_1214_2019",NA,"ovary","Ovarian cystadenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1522","OVCA432","Ovary/Fallopian Tube",NA,NA,NA,NA,"OvCA 432",NA,NA,NA,NA,NA,NA,NA,NA,"OvCA 432",NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_3769","OvCA432_1215_2019",NA,"ovary","Ovarian serous adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1523","OVCA433","Ovary/Fallopian Tube",NA,NA,NA,NA,"OVCAR433",NA,NA,"OVCA433",NA,NA,"OVCA433",NA,NA,"OVCAR433","OVCA433",NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,"ovary",NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_0475","OVCA433_1216_2019","OVCA433","ovary","Ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-002182",NA,NA,NA,NA
+"1524","OVCAR-3","Ovary/Fallopian Tube","OVCAR-3","NIH:OVCAR-3","OVCAR3",NA,"NIH:OVCAR-3",NA,"OVCAR-3",NA,"NIH_OVCAR-3","NIH_OVCAR-3","OVCAR-3",NA,NA,"OVCAR-3///NIH:OVCAR-3","OVCAR-3","OVCAR-3///OV.OVCAR.3",NA,"ovary","ovary","ovary",NA,"Ovary",NA,"Ovary","ovary","urogenital_system",NA,NA,"ovary",NA,"Ovary","ovary","NIHOVCAR3","ovary","OVCAR3","ovary","Ovarian Cancer///Ovarian",NA,"CVCL_0465","OVCAR3_1217_2019","OVCAR-3","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000001",NA,NA,NA,NA
+"1525","OVCAR-4","Ovary/Fallopian Tube","OVCAR-4","OVCAR-4","OVCAR4",NA,"OVCAR-4","OVCAR4","OVCAR-4",NA,"OVCAR-4","OVCAR-4","OVCAR-4",NA,"OVCAR4","OVCAR-4","OVCAR-4","OVCAR-4///OV.OVCAR.4",NA,"ovary","ovary","ovary",NA,"Ovary","OVARY","Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary","Ovary","ovary","OVCAR4","ovary","OVCAR4","ovary","Ovarian Cancer///Ovarian",NA,"CVCL_1627","OVCAR4_1218_2019","OVCAR-4","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000617",NA,NA,NA,NA
+"1526","OVCAR-5","Ovary/Fallopian Tube","OVCAR-5","OVCAR-5","OVCAR5",NA,"OVCAR-5",NA,"OVCAR-5","OVCAR-5",NA,NA,"OVCAR-5",NA,"OVCAR5","OVCAR-5","OVCAR-5","OVCAR-5///OV.OVCAR.5",NA,"ovary",NA,"ovary",NA,"Ovary",NA,"Ovary",NA,"urogenital_system",NA,NA,"ovary",NA,"Ovary","ovary","OVCAR5",NA,"OVCAR5","ovary","Ovarian Cancer///Ovarian",NA,"CVCL_1628","OVCAR5_1219_2019","OVCAR-5","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-001151",NA,NA,NA,NA
+"1527","OVCAR-8","Ovary/Fallopian Tube","OVCAR-8","OVCAR-8","OVCAR8",NA,"OVCAR-8","OVCAR8","OVCAR-8",NA,"OVCAR-8","OVCAR-8","OVCAR-8",NA,"OVCAR8","OVCAR-8","OVCAR-8","OVCAR-8///OV.OVCAR.8","OVCAR8_OVARY","ovary","ovary","ovary",NA,"Ovary","OVARY","Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary","Ovary","ovary","OVCAR8","ovary","OVCAR8","ovary","Ovarian Cancer///Ovarian","ovary","CVCL_1629","OVCAR8_1220_2019","OVCAR-8","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000696",NA,NA,NA,NA
+"1528","OVISE","Ovary/Fallopian Tube",NA,"OVISE",NA,NA,"OVISE",NA,"OVISE",NA,"OVISE","OVISE","OVISE",NA,"OVISE","OVISE","OVISE",NA,"OVISE_OVARY",NA,"ovary",NA,NA,"Ovary",NA,"Ovary","ovary",NA,NA,NA,"ovary","ovary",NA,"ovary","OVISE","ovary",NA,NA,NA,"ovary","CVCL_3116","OVISE_1222_2019","OVISE","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",TRUE,"ACH-000527",NA,NA,NA,NA
+"1529","OVK18","Ovary/Fallopian Tube",NA,"OVK18",NA,NA,NA,"OVK18","OVK-18",NA,"OVK18","OVK18","OVK-18",NA,"OVK18",NA,"OVK-18",NA,"OVK18_OVARY",NA,"ovary",NA,NA,NA,"OVARY","Ovary","ovary",NA,NA,NA,"ovary","ovary",NA,"ovary","OVK18","ovary",NA,NA,NA,"ovary","CVCL_3770","OVK18_1223_2019","OVK-18","ovary","Ovarian endometrioid adenocarcinoma","Cancer cell line",TRUE,"ACH-000947",NA,NA,NA,NA
+"1530","OVKATE","Ovary/Fallopian Tube",NA,"OVKATE",NA,NA,"OVKATE","OVKATE","OVKATE","OVKATE",NA,NA,"OVKATE",NA,NA,"OVKATE","OVKATE",NA,NA,NA,"ovary",NA,NA,"Ovary","OVARY","Ovary",NA,NA,NA,NA,"ovary",NA,NA,"ovary","OVKATE","ovary",NA,NA,NA,NA,"CVCL_3110","OVKATE_1224_2019","OVKATE","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000443",NA,NA,NA,NA
+"1531","OVMANA","Ovary/Fallopian Tube",NA,"OVMANA",NA,NA,"OVMANA","OVMANA",NA,NA,"OVMANA","OVMANA",NA,NA,NA,"OVMANA",NA,NA,NA,NA,"ovary",NA,NA,"Ovary","OVARY",NA,"ovary",NA,NA,NA,"ovary",NA,NA,NA,"OVMANA","ovary",NA,NA,NA,NA,"CVCL_3111","OVMANA_1225_2019",NA,"ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",NA,"ACH-000646",NA,NA,NA,NA
+"1532","OVMIU","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,"OVMIU","OVMIU",NA,NA,"OVMIU",NA,NA,NA,"OVMIU",NA,NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,"ovary",NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_3112","OVMIU_1226_2019","OVMIU","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-002183",NA,NA,NA,NA
+"1533","OVSAHO","Ovary/Fallopian Tube",NA,"OVSAHO",NA,NA,"OVSAHO",NA,NA,NA,"OVSAHO","OVSAHO",NA,NA,"OVSAHO","OVSAHO",NA,NA,NA,NA,"ovary",NA,NA,"Ovary",NA,NA,"ovary",NA,NA,NA,NA,"ovary","Ovary",NA,"OVSAHO","ovary",NA,NA,NA,NA,"CVCL_3114","OVSAHO_1227_2019",NA,"ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000409",NA,NA,NA,NA
+"1534","OVTOKO","Ovary/Fallopian Tube",NA,"OVTOKO",NA,NA,"OVTOKO",NA,"OVTOKO",NA,"OVTOKO","OVTOKO","OVTOKO",NA,"OVTOKO","OVTOKO","OVTOKO",NA,"OVTOKO_OVARY",NA,"ovary",NA,NA,"Ovary",NA,"ovary","ovary",NA,NA,NA,"ovary","ovary","Ovary","ovary","OVTOKO","ovary",NA,NA,NA,"ovary","CVCL_3117","OVTOKO_1228_2019","OVTOKO","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",TRUE,"ACH-000663",NA,NA,NA,NA
+"1535","OVXF 899L","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OVXF 899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ovarian Cancer",NA,"CVCL_D170","OVXF 899L15362021_",NA,NA,"Ovarian adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1536","Okajima","Esophagus/Stomach",NA,NA,NA,NA,"Okajima",NA,NA,NA,NA,NA,NA,NA,NA,"Okajima",NA,NA,NA,NA,NA,NA,NA,"Stomach",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_9815","Okajima_1198_2019",NA,"stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1537","Onda 10","CNS/Brain","no-10",NA,NA,NA,NA,NA,"no-10","no-10",NA,NA,"no-10",NA,NA,NA,"no-10",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_3075","no10_1163_2019","no-10","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-001605",NA,NA,NA,NA
+"1538","Onda 11","CNS/Brain","no-11",NA,NA,NA,NA,NA,"no-11","no-11",NA,NA,"no-11",NA,NA,NA,"no-11",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_3076","no11_1164_2019","no-11","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-001606",NA,NA,NA,NA
+"1539","Onda 7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4W67","Onda 715402021_",NA,NA,NA,NA,NA,"ACH-001622",NA,NA,NA,NA
+"1540","Onda 8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4W68","Onda 815412021_",NA,NA,NA,NA,NA,"ACH-001623",NA,NA,NA,NA
+"1541","Onda 9","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1R14","Onda 915422021_",NA,NA,NA,NA,NA,"ACH-001624",NA,NA,NA,NA
+"1542","P-STS","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PSTS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_L298","PSTS_1278_2019",NA,NA,"Midgut carcinoid tumor","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1543","P116","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6429","P116_1229_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1544","P12-Ichikawa","Lymphoid","P12-ICHIKAWA","P12-ICHIKAWA",NA,NA,NA,NA,"P12-ICHIKAWA",NA,"P12-ICHIKAWA","P12-ICHIKAWA","P12-ICHIKAWA",NA,"P12ICHIKAWA",NA,"P12-ICHIKAWA",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1630","P12ICHIKAWA_1230_2019","P12-ICHIKAWA","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000372",NA,NA,NA,NA
+"1545","P30/OHK","Lymphoid","P30-OHK",NA,NA,NA,NA,NA,"P30-OHK","P30-OHK",NA,NA,"P30-OHK",NA,NA,NA,"P30-OHK",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1631","P30OHK_1231_2019","P30-OHK","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002059",NA,NA,NA,NA
+"1546","P31/FUJ","Myeloid","P31-FUJ","P31/FUJ",NA,NA,NA,NA,"P31-FUJ",NA,"P31_FUJ","P31_FUJ","P31-FUJ",NA,"P31FUJ",NA,"P31-FUJ",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1632","P31FUJ_1232_2019","P31-FUJ","haematopoietic_and_lymphoid_tissue","Childhood acute myeloid leukemia","Cancer cell line",NA,"ACH-000770",NA,NA,NA,NA
+"1547","P32/ISH","Lymphoid",NA,NA,NA,NA,NA,NA,"P32-ISH","P32-ISH",NA,NA,"P32-ISH",NA,NA,NA,"P32-ISH",NA,NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3119","P32ISH_1233_2019","P32-ISH","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-002293",NA,NA,NA,NA
+"1548","P388","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leukemia",NA,"CVCL_7222","P38815492021_",NA,NA,"Mouse lymphoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1549","P388/ADR","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P388/ADR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leukemia",NA,"CVCL_IZ75","P388/ADR15502021_",NA,NA,"Mouse lymphoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1550","P3HR-1","Lymphoid",NA,"P3HR-1","P3HR1",NA,NA,"P3HR1",NA,NA,"P3HR-1","P3HR-1",NA,NA,"P3HR1",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,"HEMATOPOIETIC_AND_LYMPHOID_TISSUE",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2676","P3HR1_1234_2019",NA,"haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-000707",NA,NA,NA,NA
+"1551","P4E6","Prostate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2677","P4E615522021_",NA,NA,NA,NA,NA,"ACH-001627",NA,NA,NA,NA
+"1552","PA-1","Ovary/Fallopian Tube","PA-1",NA,NA,NA,"PA-1",NA,"PA-1","PA-1",NA,NA,"PA-1",NA,NA,"PA-1","PA-1",NA,NA,"ovary",NA,NA,NA,"Ovary",NA,"Ovary",NA,"urogenital_system",NA,NA,"ovary",NA,"Ovary","ovary",NA,NA,NA,NA,NA,NA,"CVCL_0479","PA1_1235_2019","PA-1","ovary","Ovarian mixed germ cell tumor","Cancer cell line",TRUE,"ACH-001374",NA,NA,NA,NA
+"1553","PANC-1","Pancreas",NA,"PANC-1",NA,NA,"PANC-1",NA,NA,NA,"PANC-1","PANC-1",NA,NA,"PANC1","PANC-1",NA,NA,"PANC1_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,NA,"pancreas",NA,NA,NA,"pancreas","pancreas",NA,NA,NA,NA,NA,NA,NA,"pancreas","CVCL_0480","PANC1_1246_2019",NA,"pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000164",NA,NA,NA,NA
+"1554","PC-14","Lung","PC-14","PC-14",NA,NA,NA,NA,"PC-14",NA,"PC-14","PC-14","PC-14",NA,"PC14",NA,"PC-14",NA,"PC14_LUNG","lung","lung",NA,NA,NA,NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","PC14","lung",NA,NA,NA,"lung","CVCL_1640","PC14_1247_2019","PC-14","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-000030",NA,NA,NA,NA
+"1555","PC-3","Prostate","PC-3","PC-3","PC3",NA,"PC-3","PC3","PC-3",NA,"PC-3","PC-3","PC-3",NA,"PC3","PC-3","PC-3","PC-3///PR.PC.3","PC3_PROSTATE","prostate","prostate","prostate",NA,"Prostate","PROSTATE","[JPC-3]_Lung","prostate","urogenital_system",NA,NA,"prostate","prostate","Prostate","prostate","PC3","prostate","PC3","other","Prostate Cancer///Prostate","prostate","CVCL_0035","PC3_1248_2019","PC-3","prostate","Prostate carcinoma","Cancer cell line",TRUE,"ACH-000090",NA,NA,NA,NA
+"1556","PC-3 [Human lung carcinoma]","Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PC-3_JPC-3",NA,NA,NA,"PC-3 [JPC-3]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_S982","PC3_JPC3_1249_2019","PC-3_JPC-3","lung","Lung adenocarcinoma","Cancer cell line",TRUE,"ACH-002184",NA,NA,NA,NA
+"1557","PC-9","Lung",NA,"PC-9///PC9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_B260","PC-915582021_",NA,"lung",NA,"Cancer cell line",TRUE,"ACH-000779",NA,NA,NA,NA
+"1558","PCI-04B","Head and Neck",NA,NA,NA,NA,NA,NA,"PCI-4B","PCI-4B",NA,NA,"PCI-4B",NA,NA,NA,"PCI-4B",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,"CVCL_C171","PCI4B_1253_2019","PCI-4B","head_and_neck","Laryngeal squamous cell carcinoma","Cancer cell line",TRUE,"ACH-002297",NA,NA,NA,NA
+"1559","PCI-06A","Head and Neck",NA,NA,NA,NA,NA,NA,"PCI-6A","PCI-6A",NA,NA,"PCI-6A",NA,NA,NA,"PCI-6A",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,"CVCL_C173","PCI6A_1254_2019","PCI-6A","head_and_neck","Tonsillar squamous cell carcinoma","Cancer cell line",NA,"ACH-002298",NA,NA,NA,NA
+"1560","PCI-15A","Head and Neck",NA,NA,NA,NA,NA,NA,"PCI-15A","PCI-15A",NA,NA,"PCI-15A",NA,NA,NA,"PCI-15A",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_C184","PCI15A_1250_2019","PCI-15A","upper_aerodigestive_tract","Pyriform fossa squamous cell carcinoma","Cancer cell line",NA,"ACH-002294",NA,NA,NA,NA
+"1561","PCI-30","Head and Neck",NA,NA,NA,NA,NA,NA,"PCI-30","PCI-30",NA,NA,"PCI-30",NA,NA,NA,"PCI-30",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,"CVCL_C757","PCI30_1251_2019","PCI-30","head_and_neck","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-002295",NA,NA,NA,NA
+"1562","PCI-38","Head and Neck",NA,NA,NA,NA,NA,NA,"PCI-38","PCI-38",NA,NA,"PCI-38",NA,NA,NA,"PCI-38",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,"CVCL_M471","PCI38_1252_2019","PCI-38","head_and_neck","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-002296",NA,NA,NA,NA
+"1563","PCM6","Lymphoid",NA,"PCM6",NA,NA,NA,NA,NA,NA,"PCM6",NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4666","PCM6_1255_2019",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-001162",NA,NA,NA,NA
+"1564","PD1503a","Other","PD1503a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PD1503a15652021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1565","PE/CA-PJ15","Head and Neck",NA,"PE/CA-PJ15",NA,NA,"PE/CA-PJ15",NA,"PE-CA-PJ15",NA,"PE_CA-PJ15","PE_CA-PJ15","PE_CA-PJ15",NA,"PECAPJ15","PE/CA-PJ15","PE/CA-PJ15",NA,"PECAPJ15_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,"Tongue",NA,"Head & Neck","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,"upper_aerodigestive_tract","PECAPJ15","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_2678","PE/CAPJ15_1256_2019","PE_CA-PJ15","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000619",NA,NA,NA,NA
+"1566","PE/CA-PJ34 (clone C12)","Head and Neck",NA,"PE/CA-PJ34 (clone C12)",NA,NA,NA,NA,NA,NA,"PE_CA-PJ34__clone_C12_","PE_CA-PJ34__clone_C12_",NA,NA,"PECAPJ34CLONEC12",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"PECAPJ34CLONEC12",NA,NA,NA,NA,NA,"CVCL_2679","PE/CAPJ34(cloneC12)_1257_2019",NA,"upper_aerodigestive_tract","Basaloid squamous cell carcinoma","Cancer cell line",NA,"ACH-000606",NA,NA,NA,NA
+"1567","PE/CA-PJ41 (clone D2)","Head and Neck",NA,"PE/CA-PJ41 (clone D2)",NA,NA,NA,NA,NA,NA,"PE_CA-PJ41__clone_D2_","PE_CA-PJ41__clone_D2_",NA,NA,"PECAPJ41CLONED2",NA,NA,NA,"PECAPJ41CLONED2_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"PECAPJ41CLONED2",NA,NA,NA,NA,"upper_aerodigestive","CVCL_2680","PE/CAPJ41(cloneD2)_1258_2019",NA,"upper_aerodigestive_tract","Oral cavity squamous cell carcinoma","Cancer cell line",NA,"ACH-000732",NA,NA,NA,NA
+"1568","PE/CA-PJ49","Head and Neck",NA,"PE/CA-PJ49",NA,NA,NA,NA,NA,NA,"PE_CA-PJ49","PE_CA-PJ49",NA,NA,"PECAPJ49",NA,NA,NA,"PECAPJ49_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,"PECAPJ49","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_2681","PE/CAPJ49_1259_2019",NA,"upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000735",NA,NA,NA,NA
+"1569","PEA1","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2682","PEA115702021_",NA,NA,NA,NA,NA,"ACH-001628",NA,NA,NA,NA
+"1570","PEO1","Ovary/Fallopian Tube",NA,NA,NA,NA,"PE01",NA,"PEO1","PEO1",NA,NA,"PEO1",NA,NA,"PE01","PEO1",NA,NA,NA,NA,NA,NA,"Ovary",NA,"ovary",NA,NA,NA,NA,"ovary",NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_2686","PE01_1260_2019","PEO1","ovary","BRCA2 syndrome","Cancer cell line",TRUE,"ACH-001630",NA,NA,NA,NA
+"1571","PEO4","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2690","PEO415722021_",NA,NA,NA,NA,NA,"ACH-001632",NA,NA,NA,NA
+"1572","PF-382","Lymphoid","PF-382","PF-382",NA,NA,NA,NA,"PF-382",NA,"PF-382","PF-382","PF-382",NA,"PF382",NA,"PF-382",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1641","PF382_1262_2019","PF-382","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000937",NA,NA,NA,NA
+"1573","PFSK-1","CNS/Brain","PFSK-1",NA,NA,NA,NA,NA,"PFSK-1","PFSK-1",NA,NA,"PFSK-1",NA,NA,NA,"PFSK-1",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"Brain",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1642","PFSK1_1264_2019","PFSK-1","central_nervous_system","Primitive neuroectodermal tumor","Cancer cell line",NA,"ACH-001711",NA,NA,NA,NA
+"1574","PGA-1","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_Y545","PGA-115752021_",NA,NA,NA,NA,NA,"ACH-001634",NA,NA,NA,NA
+"1575","PK-1","Pancreas",NA,"PK-1",NA,NA,NA,NA,NA,NA,"PK-1","PK-1",NA,NA,"PK1","PK-1",NA,NA,"PK1_PANCREAS",NA,"pancreas",NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,"pancreas","pancreas","Pancreas",NA,"PK1","pancreas",NA,NA,NA,"pancreas","CVCL_4717","PK1_1265_2019",NA,"pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-000307",NA,NA,NA,NA
+"1576","PK-45H","Pancreas",NA,"PK-45H",NA,NA,"PK-45H",NA,NA,NA,"PK-45H","PK-45H",NA,NA,"PK45H","PK-45H",NA,NA,"PK45H_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,NA,"pancreas",NA,NA,NA,NA,"pancreas","Pancreas",NA,"PK45H","pancreas",NA,NA,NA,"pancreas","CVCL_6748","PK45H_1266_2019",NA,"pancreas","Pancreatic carcinoma","Cancer cell line",NA,"ACH-000468",NA,NA,NA,NA
+"1577","PK-45P","Pancreas",NA,NA,NA,NA,"PK-45P",NA,NA,NA,NA,NA,NA,NA,NA,"PK-45P",NA,NA,NA,NA,NA,NA,NA,"Pancreas",NA,NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6749","PK45P_1267_2019",NA,"pancreas","Pancreatic carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1578","PK-59","Pancreas",NA,"PK-59",NA,NA,"PK-59",NA,NA,NA,"PK-59","PK-59",NA,NA,"PK59","PK-59",NA,NA,"PK59_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,NA,"pancreas",NA,NA,NA,"pancreas","pancreas","Pancreas",NA,"PK59","pancreas",NA,NA,NA,"pancreas","CVCL_4897","PK59_1268_2019",NA,"pancreas","Pancreatic carcinoma","Cancer cell line",TRUE,"ACH-000205",NA,NA,NA,NA
+"1579","PK-8","Pancreas",NA,NA,NA,NA,"PK-8",NA,NA,NA,NA,NA,NA,NA,NA,"PK-8",NA,NA,NA,NA,NA,NA,NA,"Pancreas",NA,NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4718","PK8_1269_2019",NA,"pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-002039",NA,NA,NA,NA
+"1580","PL-21","Myeloid",NA,"PL-21",NA,NA,"PL-21","PL21","PL-21",NA,"PL-21","PL-21","PL-21",NA,"PL21","PL-21","PL-21",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2161","PL21_1270_2019","PL-21","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000218",NA,NA,NA,NA
+"1581","PL18 [Human pancreatic adenocarcinoma]","Pancreas",NA,NA,NA,NA,NA,NA,"PL18","PL18",NA,NA,"PL18",NA,NA,NA,"PL18",NA,NA,NA,NA,NA,NA,NA,NA,"Pancreas",NA,NA,NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,"CVCL_X507","PL18_1271_2019","PL18","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-002185",NA,NA,NA,NA
+"1582","PL4","Pancreas",NA,NA,NA,NA,NA,NA,NA,"PL4",NA,NA,"PL4",NA,NA,NA,"PL4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,"CVCL_S976","PL4_1272_2019","PL4","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-002186",NA,NA,NA,NA
+"1583","PL45","Pancreas",NA,"PL45",NA,NA,"PL45",NA,"PL4",NA,NA,NA,NA,NA,NA,"PL45",NA,NA,NA,NA,"pancreas",NA,NA,"Pancreas",NA,"pancreas",NA,NA,NA,NA,"pancreas",NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,"CVCL_3567","PL45_1273_2019",NA,"pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-001171",NA,NA,NA,NA
+"1584","PLB-985","Myeloid",NA,"PLB-985","PLB985",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2162","PLB-98515852021_",NA,"haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia",NA,NA,"ACH-000034",NA,NA,NA,NA
+"1585","PLC/PRF/5","Liver","PLC-PRF-5","PLC/PRF/5///Alexander cells",NA,NA,"PLC/PRF/5",NA,NA,NA,"PLC_PRF_5","PLC_PRF_5///Alexander cells",NA,NA,"PLCPRF5","PLC/PRF/5",NA,NA,"PLCPRF5_LIVER","liver","liver",NA,NA,"Liver",NA,NA,"liver",NA,NA,NA,"liver","liver","Liver","liver","PLCPRF5","liver",NA,NA,NA,"liver","CVCL_0485","PLCPRF5_1274_2019",NA,"liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-001318",NA,NA,NA,NA
+"1586","PMC42","Breast",NA,NA,NA,"PMC42",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5215","PMC42_1275_2019",NA,"breast","Breast carcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1587","PMF-ko14","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8747","PMF-ko1415882021_",NA,NA,NA,NA,NA,"ACH-002022",NA,NA,NA,NA
+"1588","PSN1","Pancreas","PSN1","PSN1",NA,NA,"PSN1",NA,"PSN1",NA,"PSN1","PSN1","PSN1",NA,"PSN1","PSN1","PSN1",NA,"PSN1_PANCREAS","pancreas","pancreas",NA,NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","PSN1","pancreas",NA,NA,NA,"pancreas","CVCL_1644","PSN1_1277_2019","PSN1","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000320",NA,NA,NA,NA
+"1589","PWR-1E","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,"PWR-1E","PWR-1E",NA,NA,"PWR-1E",NA,NA,NA,"PWR-1E",NA,NA,NA,NA,NA,NA,NA,NA,"Prostate",NA,NA,NA,NA,NA,NA,NA,"prostate",NA,NA,NA,NA,NA,NA,"CVCL_3775","PWR1E_1279_2019","PWR-1E","prostate",NA,"Transformed cell line",NA,"ACH-001383",NA,NA,NA,NA
+"1590","PaCaDD-119","Pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1848","PaCaDD-11915912021_",NA,NA,NA,NA,NA,"ACH-001375",NA,NA,NA,NA
+"1591","PaCaDD-135","Pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1849","PaCaDD-13515922021_",NA,NA,NA,NA,NA,"ACH-001376",NA,NA,NA,NA
+"1592","PaCaDD-137","Pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1850","PaCaDD-13715932021_",NA,NA,NA,NA,NA,"ACH-001377",NA,NA,NA,NA
+"1593","PaCaDD-159","Pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M465","PaCaDD-15915942021_",NA,NA,NA,NA,NA,"ACH-001378",NA,NA,NA,NA
+"1594","PaCaDD-161","Pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M466","PaCaDD-16115952021_",NA,NA,NA,NA,NA,"ACH-001379",NA,NA,NA,NA
+"1595","PaCaDD-165","Pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M467","PaCaDD-16515962021_",NA,NA,NA,NA,NA,"ACH-001380",NA,NA,NA,NA
+"1596","PaCaDD-188","Pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M469","PaCaDD-18815972021_",NA,NA,NA,NA,NA,"ACH-001382",NA,NA,NA,NA
+"1597","PaTu 8902","Pancreas",NA,"PA-TU-8902",NA,NA,"PA-TU-8902","PATU8902","PA-TU-8902",NA,"PA-TU-8902","PA-TU-8902","PA-TU-8902",NA,"PATU8902","PA-TU-8902","PA-TU-8902",NA,"PATU8902_PANCREAS",NA,"pancreas",NA,NA,"Pancreas","PANCREAS","pancreas","pancreas",NA,NA,NA,"pancreas","pancreas","Pancreas","pancreas","PATU8902","pancreas",NA,NA,NA,"pancreas","CVCL_1845","PATU8902_1236_2019","PA-TU-8902","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000599",NA,NA,NA,NA
+"1598","PaTu 8988s","Pancreas",NA,"PA-TU-8988S",NA,NA,"PA-TU-8988S",NA,NA,NA,"PA-TU-8988S","PA-TU-8988S",NA,NA,"PATU8988S","PA-TU-8988S",NA,NA,"PATU8988S_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,NA,"pancreas",NA,NA,NA,"pancreas","pancreas",NA,NA,"PATU8988S","pancreas",NA,NA,NA,"pancreas","CVCL_1846","PATU8988S_1237_2019",NA,"pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000022",NA,NA,NA,NA
+"1599","PaTu 8988t","Pancreas",NA,"PA-TU-8988T",NA,NA,"PA-TU-8988T",NA,"PA-TU-8988T",NA,"PA-TU-8988T","PA-TU-8988T","PA-TU-8988T",NA,"PATU8988T","PA-TU-8988T","PA-TU-8988T",NA,"PATU8988T_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,"Pancreas","pancreas",NA,NA,NA,"pancreas","pancreas",NA,"pancreas","PATU8988T","pancreas",NA,NA,NA,"pancreas","CVCL_1847","PATU8988T_1238_2019","PA-TU-8988T","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000023",NA,NA,NA,NA
+"1600","Panc 02.03","Pancreas",NA,"Panc 02.03",NA,NA,"Panc 02.03",NA,"PANC-02-03",NA,"Panc_023","Panc_02.03","PANC-02-03",NA,"PANC0203","Panc 02.03","PANC-02-03",NA,"PANC0203_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,"Pancreas","pancreas",NA,NA,NA,NA,"pancreas","Pancreas","pancreas","PANC0203","pancreas",NA,NA,NA,"pancreas","CVCL_1633","Panc02.03_1239_2019","PANC-02-03","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000042",NA,NA,NA,NA
+"1601","Panc 02.13","Pancreas",NA,"Panc 02.13",NA,NA,NA,NA,NA,NA,"Panc_02.13","Panc_02.13",NA,NA,NA,NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1634","Panc02.13_1240_2019",NA,"pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000031",NA,NA,NA,NA
+"1602","Panc 03.27","Pancreas","PANC-03-27","Panc 03.27",NA,NA,"Panc 03.27","PANC0327","PANC-03-27",NA,"Panc_03.27","Panc_03.27","PANC-03-27",NA,"PANC0327","Panc 03.27","PANC-03-27",NA,"PANC0327_PANCREAS","pancreas","pancreas",NA,NA,"Pancreas","PANCREAS","Pancreas","pancreas","pancreas",NA,NA,NA,"pancreas","Pancreas","pancreas","PANC0327","pancreas",NA,NA,NA,"pancreas","CVCL_1635","Panc03.27_1241_2019","PANC-03-27","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000139",NA,NA,NA,NA
+"1603","Panc 04.03","Pancreas",NA,"Panc 04.03",NA,NA,"Panc 04.03",NA,"PANC-04-03",NA,"Panc_043","Panc_04.03","PANC-04-03",NA,"PANC0403","Panc 04.03","PANC-04-03",NA,"PANC0403_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,"pancreas","pancreas",NA,NA,NA,NA,"pancreas","Pancreas","pancreas","PANC0403","pancreas",NA,NA,NA,"pancreas","CVCL_1636","Panc04.03_1242_2019","PANC-04-03","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000235",NA,NA,NA,NA
+"1604","Panc 05.04","Pancreas",NA,"Panc 05.04",NA,NA,"Panc 05.04",NA,NA,NA,"Panc_054","Panc_05.04",NA,NA,"PANC0504","Panc 05.04",NA,NA,NA,NA,"pancreas",NA,NA,"Pancreas",NA,NA,"pancreas",NA,NA,NA,NA,"pancreas",NA,NA,"PANC0504","pancreas",NA,NA,NA,NA,"CVCL_1637","Panc05.04_1243_2019",NA,"pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000093",NA,NA,NA,NA
+"1605","Panc 08.13","Pancreas","PANC-08-13","Panc 08.13",NA,NA,"Panc 08.13",NA,"PANC-08-13",NA,"Panc_08.13","Panc_08.13","PANC-08-13",NA,"PANC0813","Panc 08.13","PANC-08-13",NA,"PANC0813_PANCREAS","pancreas","pancreas",NA,NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,NA,"pancreas",NA,"pancreas","PANC0813","pancreas",NA,NA,NA,"pancreas","CVCL_1638","Panc08.13_1244_2019","PANC-08-13","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000417",NA,NA,NA,NA
+"1606","Panc 10.05","Pancreas","PANC-10-05","Panc 10.05",NA,NA,NA,"PANC1005","PANC-10-05",NA,"Panc_10.05","Panc_10.05","PANC-10-05",NA,"PANC1005","Panc 10.05","PANC-10-05",NA,"PANC1005_PANCREAS","pancreas","pancreas",NA,NA,NA,"PANCREAS","Pancreas","pancreas","pancreas",NA,NA,NA,"pancreas","Pancreas","pancreas","PANC1005","pancreas",NA,NA,NA,"pancreas","CVCL_1639","Panc10.05_1245_2019","PANC-10-05","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000060",NA,NA,NA,NA
+"1607","PeTa","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_LC73","PeTa16082021_",NA,NA,NA,NA,NA,"ACH-001170",NA,NA,NA,NA
+"1608","Peer","Lymphoid",NA,"PEER",NA,NA,NA,NA,NA,NA,"PEER","PEER",NA,NA,"PEER",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1913","PEER_1261_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000519",NA,NA,NA,NA
+"1609","Pfeiffer","Lymphoid",NA,"Pfeiffer",NA,NA,"Pfeiffer",NA,NA,NA,"Pfeiffer","Pfeiffer",NA,NA,"PFEIFFER","Pfeiffer",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3326","Pfeiffer_1263_2019",NA,"haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000140",NA,NA,NA,NA
+"1610","PrEC LH","Prostate",NA,"PrEC LH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prostate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V626","PrECLH_1276_2019",NA,"prostate",NA,"Transformed cell line",NA,"ACH-000170",NA,NA,NA,NA
+"1611","QGP-1","Pancreas",NA,"QGP-1",NA,NA,"QGP-1","QGP1","QGP-1",NA,"QGP-1","QGP-1","QGP-1",NA,"QGP1","QGP-1","QGP-1",NA,"QGP1_PANCREAS",NA,"pancreas",NA,NA,"Pancreas","PANCREAS","Pancreas","pancreas",NA,NA,NA,"pancreas","pancreas","Pancreas","pancreas","QGP1","pancreas",NA,NA,NA,"pancreas","CVCL_3143","QGP1_1280_2019","QGP-1","pancreas","Pancreatic somatostatinoma","Cancer cell line",NA,"ACH-000347",NA,NA,NA,NA
+"1612","QIMR-WIL","Myeloid","QIMR-WIL",NA,NA,NA,NA,NA,"QIMR-WIL","QIMR-WIL",NA,NA,"QIMR-WIL",NA,NA,NA,"QIMR-WIL",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1645","QIMRWIL_1281_2019","QIMR-WIL","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-002299",NA,NA,NA,NA
+"1613","RBE","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4896","RBE16142021_",NA,NA,NA,NA,NA,"ACH-001856",NA,NA,NA,NA
+"1614","RC-K8","Lymphoid",NA,NA,NA,NA,"RC-K8",NA,"RC-K8","RC-K8",NA,NA,"RC-K8",NA,NA,"RC-K8","RC-K8",NA,NA,NA,NA,NA,NA,"Blood",NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1883","RCK8_1285_2019","RC-K8","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-001638",NA,NA,NA,NA
+"1615","RCC10RGB","Kidney","RCC10RGB","RCC10RGB",NA,NA,NA,"RCC10RGB","RCC10RGB",NA,"RCC10RGB","RCC10RGB","RCC10RGB",NA,"RCC10RGB",NA,"RCC10RGB",NA,"RCC10RGB_KIDNEY","kidney","kidney",NA,NA,NA,"KIDNEY","Kidney","kidney","kidney",NA,NA,"kidney","kidney",NA,"kidney","RCC10RGB","kidney",NA,NA,NA,"kidney","CVCL_1647","RCC10RGB_1293_2019","RCC10RGB","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000189",NA,NA,NA,NA
+"1616","RCC4","Kidney",NA,"RCC-4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0498","RCC4_1286_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-001175",NA,NA,NA,NA
+"1617","RCH-ACV","Lymphoid",NA,"RCH-ACV","RCHACV",NA,NA,NA,"RCH-ACV",NA,"RCH-ACV","RCH-ACV","RCH-ACV",NA,"RCHACV",NA,"RCH-ACV",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1851","RCHACV_1294_2019","RCH-ACV","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia with t(1","Cancer cell line",NA,"ACH-000922",NA,NA,NA,NA
+"1618","RCM-1 [Human rectum adenocarcinoma]","Bowel","RCM-1","RCM-1",NA,NA,"RCM-1","RCM1","RCM-1",NA,"RCM-1","RCM-1","RCM-1",NA,"RCM1","RCM-1","RCM-1",NA,"RCM1_LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","RCM1","large_intestine",NA,NA,NA,"colorectal","CVCL_1648","RCM1_1295_2019","RCM-1","large_intestine","Rectal adenocarcinoma","Cancer cell line",NA,"ACH-000565",NA,NA,NA,NA
+"1619","RD","Soft Tissue","RD","RD","RD",NA,NA,NA,"RD",NA,"RD","RD","RD",NA,"RD",NA,"RD",NA,"RD_SOFT_TISSUE","soft_tissue","soft_tissue","muscle",NA,NA,NA,"Muscle","soft_tissue","soft_tissue",NA,NA,"soft_tissue","soft_tissue",NA,"soft_tissue","RD","soft_tissue",NA,NA,NA,"rhabdomyosarcoma","CVCL_1649","RD_1296_2019","RD","soft_tissue","Embryonal rhabdomyosarcoma","Cancer cell line",NA,"ACH-000169",NA,NA,NA,NA
+"1620","RD-ES","Bone",NA,"RD-ES","RDES",NA,NA,NA,NA,NA,"RD-ES","RD-ES",NA,NA,"RDES",NA,NA,NA,NA,NA,"bone","bone",NA,NA,NA,NA,"bone",NA,NA,NA,"bone","bone",NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_2169","RDES_1297_2019",NA,"bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000041",NA,NA,NA,NA
+"1621","REC-1","Lymphoid",NA,"REC-1","REC1",NA,"REC-1",NA,NA,NA,"REC-1","REC-1",NA,NA,"REC1","REC-1",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1884","REC1_1298_2019",NA,"haematopoietic_and_lymphoid_tissue","Mantle cell lymphoma","Cancer cell line",NA,"ACH-000068",NA,NA,NA,NA
+"1622","RERF-GC-1B","Esophagus/Stomach",NA,"RERF-GC-1B",NA,NA,"RERF-GC-1B",NA,"RERF-GC-1B",NA,"RERF-GC-1B","RERF-GC-1B","RERF-GC-1B",NA,NA,"RERF-GC-1B","RERF-GC-1B",NA,NA,NA,"stomach",NA,NA,"Stomach",NA,"Stomach","stomach",NA,NA,NA,"stomach",NA,"Stomach","stomach",NA,NA,NA,NA,NA,NA,"CVCL_3152","RERFGC1B_1300_2019","RERF-GC-1B","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000144",NA,NA,NA,NA
+"1623","RERF-LC-A1","Lung",NA,"RERF-LC-AI",NA,NA,NA,NA,NA,NA,"RERF-LC-AI","RERF-LC-AI",NA,NA,"RERFLCAI",NA,NA,NA,"RERFLCAI_LUNG",NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"lung","lung",NA,NA,"RERFLCAI","lung",NA,NA,NA,"lung","CVCL_4402","RERFLCAI_1303_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000261",NA,NA,NA,NA
+"1624","RERF-LC-Ad1","Lung",NA,"RERF-LC-Ad1",NA,NA,NA,NA,NA,NA,"RERF-LC-Ad1","RERF-LC-Ad1",NA,NA,"RERFLCAD1",NA,NA,NA,"RERFLCAD1_LUNG",NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"lung","lung",NA,NA,"RERFLCAD1","lung",NA,NA,NA,"lung","CVCL_1651","RERFLCAd1_1301_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000791",NA,NA,NA,NA
+"1625","RERF-LC-Ad2","Lung",NA,"RERF-LC-Ad2",NA,NA,NA,NA,NA,NA,"RERF-LC-Ad2","RERF-LC-Ad2",NA,NA,"RERFLCAD2",NA,NA,NA,"RERFLCAD2_LUNG",NA,"lung",NA,NA,NA,NA,NA,"lung",NA,NA,NA,"lung","lung",NA,NA,"RERFLCAD2","lung",NA,NA,NA,"lung","CVCL_1652","RERFLCAd2_1302_2019",NA,"lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000774",NA,NA,NA,NA
+"1626","RERF-LC-FM","Lung","RERF-LC-FM",NA,NA,NA,NA,NA,NA,NA,NA,NA,"RERF-LC-FM",NA,NA,NA,"RERF-LC-FM",NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1653","RERFLCFM_1304_2019","RERF-LC-FM","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002193",NA,NA,NA,NA
+"1627","RERF-LC-KJ","Lung",NA,"RERF-LC-KJ",NA,NA,"RERF-LC-KJ","RERFLCKJ","RERF-LC-KJ",NA,"RERF-LC-KJ","RERF-LC-KJ","RERF-LC-KJ",NA,NA,"RERF-LC-KJ","RERF-LC-KJ",NA,"RERFLCKJ_LUNG",NA,"lung",NA,NA,"Lung","LUNG","Lung:NSCLC","lung",NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,"lung","CVCL_1654","RERFLCKJ_1305_2019","RERF-LC-KJ","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000482",NA,NA,NA,NA
+"1628","RERF-LC-MS","Lung","RERF-LC-MS","RERF-LC-MS",NA,NA,"RERF-LC-MS",NA,"RERF-LC-MS",NA,"RERF-LC-MS","RERF-LC-MS","RERF-LC-MS",NA,"RERFLCMS","RERF-LC-MS","RERF-LC-MS",NA,"RERFLCMS_LUNG","lung","lung",NA,NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","RERFLCMS","lung",NA,NA,NA,"lung","CVCL_1655","RERFLCMS_1306_2019","RERF-LC-MS","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000062",NA,NA,NA,NA
+"1629","RERF-LC-OK","CNS/Brain",NA,NA,NA,NA,"RERF-LC-OK",NA,NA,NA,NA,NA,NA,NA,NA,"RERF-LC-OK",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3154","RERFLCOK_1307_2019",NA,"lung","Astrocytoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1630","RERF-LC-Sq1","Lung",NA,"RERF-LC-Sq1",NA,NA,NA,NA,"RERF-LC-Sq1",NA,"RERF-LC-Sq1","RERF-LC-Sq1","RERF-LC-Sq1",NA,NA,NA,"RERF-LC-Sq1",NA,NA,NA,"lung",NA,NA,NA,NA,"Lung:NSCLC","lung",NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1656","RERFLCSq1_1308_2019","RERF-LC-Sq1","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000442",NA,NA,NA,NA
+"1631","RF-48","Lymphoid","RF-48",NA,NA,NA,NA,NA,"RF-48","RF-48",NA,NA,"RF-48",NA,NA,NA,"RF-48",NA,NA,"stomach",NA,NA,NA,NA,NA,"Stomach",NA,NA,NA,NA,"stomach",NA,NA,"stomach",NA,NA,NA,NA,NA,NA,"CVCL_1657","RF48_1309_2019","RF-48","stomach","Lymphoma","Cancer cell line",NA,"ACH-002301",NA,NA,NA,NA
+"1632","RH18DM",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RH18DM16332021_",NA,NA,NA,NA,NA,"ACH-001790",NA,NA,NA,NA
+"1633","RKN","Soft Tissue",NA,"RKN",NA,NA,"RKN","RKN","RKN",NA,"RKN","RKN","RKN",NA,"RKN","RKN","RKN",NA,"RKN_SOFT_TISSUE",NA,"soft_tissue",NA,NA,"Ovary","SOFT_TISSUE","Ovary","soft_tissue",NA,NA,NA,NA,"soft_tissue","Ovary","soft_tissue",NA,NA,NA,NA,NA,"soft_tissue","CVCL_3156","RKN_1315_2019","RKN","soft_tissue","Ovarian leiomyosarcoma","Cancer cell line",NA,"ACH-000505",NA,NA,NA,NA
+"1634","RKO","Bowel","RKO","RKO","RKO",NA,"RKO","RKO","RKO","RKO","RKO","RKO","RKO",NA,"RKO","RKO","RKO",NA,"RKO_LARGE_INTESTINE","large_intestine","large_intestine","colon",NA,"Colon","LARGE_INTESTINE","Intestin","large_intestine",NA,NA,NA,"large_intestine","large_intestine","Colon","large_intestine","RKO","large_intestine",NA,NA,NA,"colorectal","CVCL_0504","RKO_1316_2019","RKO","large_intestine","Colon carcinoma","Cancer cell line",NA,"ACH-000943",NA,NA,NA,NA
+"1635","RKO Waf1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RKO Waf1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"RKO Waf116362021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1636","RKO-E6","Bowel",NA,NA,"RKOE6",NA,"RKO-E6",NA,NA,NA,NA,NA,NA,NA,NA,"RKO-E6",NA,NA,NA,NA,NA,"colon",NA,"Colon",NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3787","RKOE6_1317_2019",NA,"large_intestine","Colon carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1637","RKOp53RE1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RKOp53RE1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,NA,"RKOp53RE116382021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1638","RL","Lymphoid","RL","RL","RL",NA,"RL",NA,"RL",NA,"RL","RL","RL",NA,"RL","RL","RL","RL",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Lymphoma",NA,"CVCL_1660","RL_1318_2019","RL","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000371",NA,NA,NA,NA
+"1639","RL95-2","Uterus","RL95-2","RL95-2","RL952",NA,NA,NA,"RL95-2",NA,"RL95-2","RL95-2","RL95-2",NA,"RL952","RL95-2","RL95-2",NA,"RL952_ENDOMETRIUM","endometrium","endometrium","uterus",NA,NA,NA,"endometrium","endometrium","urogenital_system",NA,NA,"endometrium","endometrium","Uterus","endometrium","RL952","endometrium",NA,NA,NA,"uterus","CVCL_0505","RL952_1319_2019","RL95-2","endometrium","Endometrial adenosquamous carcinoma","Cancer cell line",NA,"ACH-000965",NA,NA,NA,NA
+"1640","RMG-I","Ovary/Fallopian Tube","RMG-I","RMG-I",NA,NA,"RMG-I","RMGI","RMG-I",NA,"RMG-I","RMG-I","RMG-I",NA,"RMGI","RMG-I","RMG-I",NA,"RMGI_OVARY","ovary","ovary",NA,NA,"Ovary","OVARY","Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary","Ovary","ovary",NA,NA,"RMGI///RMG1","ovary",NA,"ovary","CVCL_1662","RMGI_1320_2019","RMG-I","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",TRUE,"ACH-000719",NA,NA,NA,NA
+"1641","RMS-13","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_UF98","RMS-1316422021_",NA,NA,NA,NA,NA,"ACH-001741",NA,NA,NA,NA
+"1642","RMUG-S","Ovary/Fallopian Tube",NA,"RMUG-S",NA,NA,"RMUG-S","RMUGS",NA,NA,"RMUG-S","RMUG-S",NA,NA,NA,"RMUG-S",NA,NA,"RMUGS_OVARY",NA,"ovary",NA,NA,"Ovary","OVARY",NA,"ovary",NA,NA,NA,"ovary",NA,NA,NA,"RMUGS","ovary",NA,NA,NA,"ovary","CVCL_3158","RMUGS_1321_2019",NA,"ovary","Ovarian mucinous cystadenocarcinoma","Cancer cell line",NA,"ACH-000701",NA,NA,NA,NA
+"1643","RMZ-RC2","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_L510","RMZ-RC216442021_",NA,NA,NA,NA,NA,"ACH-001743",NA,NA,NA,NA
+"1644","ROS-50","Lymphoid",NA,NA,NA,NA,NA,NA,"ROS-50","ROS-50",NA,NA,"ROS-50",NA,NA,NA,"ROS-50",NA,NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1887","ROS50_1323_2019","ROS-50","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-001639",NA,NA,NA,NA
+"1645","RPE1-ss48",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RPE1-ss4816462021_",NA,NA,NA,NA,NA,"ACH-002462",NA,NA,NA,NA
+"1646","RPE1-ss51",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RPE1-ss5116472021_",NA,NA,NA,NA,NA,"ACH-002467",NA,NA,NA,NA
+"1647","RPE1-ss6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RPE1-ss616482021_",NA,NA,NA,NA,NA,"ACH-002464",NA,NA,NA,NA
+"1648","RPE1-ss77",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RPE1-ss7716492021_",NA,NA,NA,NA,NA,"ACH-002463",NA,NA,NA,NA
+"1649","RPMI-2650","Head and Neck","RPMI-2650",NA,"RPMI2650",NA,"RPMI 2650",NA,"RPMI-2650","RPMI-2650",NA,NA,"RPMI-2650",NA,NA,"RPMI 2650","RPMI-2650",NA,NA,"upper_aerodigestive_tract",NA,"head_and_neck",NA,"Septum",NA,"Head & Neck",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,"Head and Neck","upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1664","RPMI2650_1324_2019","RPMI-2650","upper_aerodigestive_tract","Head and neck squamous cell carcinoma","Cancer cell line",TRUE,"ACH-001385",NA,NA,NA,NA
+"1650","RPMI-6666","Lymphoid","RPMI-6666","RPMI 6666","RPMI6666",NA,NA,NA,"RPMI-6666","RPMI-6666",NA,NA,"RPMI-6666",NA,"RPMI6666",NA,"RPMI-6666",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1665","RPMI6666_1325_2019","RPMI-6666","haematopoietic_and_lymphoid_tissue",NA,"Transformed cell line",NA,"ACH-001182",NA,NA,NA,NA
+"1651","RPMI-7951","Skin","RPMI-7951","RPMI-7951",NA,NA,"RPMI-7951",NA,"RPMI-7951",NA,"RPMI-7951","RPMI-7951","RPMI-7951",NA,"RPMI7951","RPMI-7951","RPMI-7951","RPMI-7951",NA,"skin","skin",NA,NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin",NA,NA,NA,NA,"Melanoma",NA,"CVCL_1666","RPMI7951_1326_2019","RPMI-7951","skin","Melanoma","Cancer cell line",TRUE,"ACH-000348","RPMI7951","Skin",NA,NA
+"1652","RPMI-8226","Lymphoid","RPMI-8226","RPMI 8226","RPMI8226",NA,"RPMI 8226","RPMI8226","RPMI-8226",NA,"RPMI_8226","RPMI_8226","RPMI-8226",NA,"RPMI8226","RPMI 8226","RPMI-8226","RPMI-8226///LE.RPMI.8226",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,"RPMI8226///RPMI","blood","Leukemia",NA,"CVCL_0014","RPMI8226_1327_2019","RPMI-8226","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000817",NA,NA,NA,NA
+"1653","RPMI-8402","Lymphoid","RPMI-8402","RPMI-8402",NA,NA,NA,NA,"RPMI-8402",NA,"RPMI-8402","RPMI-8402","RPMI-8402",NA,"RPMI8402",NA,"RPMI-8402",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1667","RPMI8402_1328_2019","RPMI-8402","haematopoietic_and_lymphoid_tissue","Childhood T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000636",NA,NA,NA,NA
+"1654","RPMI-8866","Myeloid","RPMI-8866",NA,NA,NA,NA,NA,"RPMI-8866","RPMI-8866",NA,NA,"RPMI-8866",NA,NA,NA,"RPMI-8866",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1668","RPMI8866_1329_2019","RPMI-8866","haematopoietic_and_lymphoid_tissue","Chronic myelogenous leukemia, BCR-ABL1 positive","Transformed cell line",NA,"ACH-002302",NA,NA,NA,NA
+"1655","RS-5","Pleura",NA,"RS-5",NA,NA,NA,NA,NA,NA,"RS-5","RS-5",NA,NA,NA,NA,NA,NA,NA,NA,"pleura",NA,NA,NA,NA,NA,"pleura",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2182","RS5_1330_2019",NA,"pleura","Pleural sarcomatoid mesothelioma","Cancer cell line",NA,"ACH-000531",NA,NA,NA,NA
+"1656","RS4;11","Lymphoid","RS4-11","RS4;11",NA,NA,NA,NA,"RS4-11",NA,"RS4_11","RS4_11","RS4-11",NA,"RS411","RS4;11","RS4-11",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0093","RS4;11_1331_2019","RS4-11","haematopoietic_and_lymphoid_tissue","Adult B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000874",NA,NA,NA,NA
+"1657","RT-112","Bladder/Urinary Tract","RT-112","RT-112",NA,NA,"RT-112",NA,"RT-112",NA,"RT-112","RT-112","RT-112",NA,"RT112","RT-112","RT-112",NA,"RT112_URINARY_TRACT","urinary_tract","urinary_tract",NA,NA,"Urinary Bladder",NA,"Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract","Urinary","urinary_tract","RT112","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_1670","RT112_1332_2019","RT-112","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000473",NA,NA,NA,NA
+"1658","RT-4","Bladder/Urinary Tract","RT4","RT4",NA,NA,"RT4","RT4","RT4",NA,"RT4","RT4","RT4",NA,"RT4","RT4","RT4",NA,"RT4_URINARY_TRACT","urinary_tract","urinary_tract",NA,NA,"Urinary Bladder","URINARY_TRACT","Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract","Urinary","urinary_tract","RT4","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_0036","RT4_1334_2019","RT4","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000242",NA,NA,NA,NA
+"1659","RT112/84","Bladder/Urinary Tract",NA,"RT112/84",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"urinary_tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2714","RT112/84_1333_2019",NA,"urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-001183",NA,NA,NA,NA
+"1660","RTSG","Uterus","RTSG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RTSG16612021_",NA,"ovary","Endometrial adenocarcinoma",NA,NA,NA,NA,NA,NA,NA
+"1661","RVH-421","Skin","RVH-421","RVH-421",NA,NA,NA,NA,"RVH-421","RVH-421",NA,NA,"RVH-421",NA,"RVH421","RVH-421","RVH-421",NA,"RVH421_SKIN","skin","skin",NA,NA,NA,NA,"Skin",NA,"skin",NA,NA,"skin","skin","Skin","skin","RVH421","skin",NA,NA,NA,"skin","CVCL_1672","RVH421_1335_2019","RVH-421","skin","Melanoma","Cancer cell line",TRUE,"ACH-000614","RVH-421","Skin",NA,NA
+"1662","RVH421SKINFV1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RVH421SKINFV116632021_",NA,NA,NA,NA,NA,"ACH-002461",NA,NA,NA,NA
+"1663","RWPE-1","Prostate",NA,NA,"RWPE1",NA,NA,NA,"RWPE-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prostate",NA,NA,NA,"Prostate",NA,NA,NA,NA,NA,NA,NA,"prostate",NA,NA,NA,NA,NA,NA,"CVCL_3791","RWPE1_1336_2019",NA,"prostate",NA,"Transformed cell line",NA,NA,NA,NA,NA,NA
+"1664","RWPE2-W99","Prostate",NA,NA,NA,NA,NA,NA,"RWPE2-W99",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prostate",NA,NA,NA,NA,NA,NA,NA,"prostate",NA,NA,NA,NA,NA,NA,"CVCL_3793","RWPE2W99_1337_2019",NA,"prostate",NA,"Transformed cell line",NA,NA,NA,NA,NA,NA
+"1665","RXF 393L","Kidney","RXF393",NA,"RXF393",NA,NA,NA,"RXF393","RXF393",NA,NA,"RXF393",NA,NA,NA,"RXF393","RXF 393///RE.RXF.393",NA,"kidney",NA,"kidney",NA,NA,NA,"Kidney",NA,"kidney",NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,"Renal Cancer///Renal",NA,"CVCL_1673","RXF393_1338_2019","RXF393","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002195",NA,NA,NA,NA
+"1666","RXF 486L","Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RXF 486L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Renal Cancer",NA,"CVCL_D126","RXF 486L16672021_",NA,NA,"Renal cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1667","RXF 631L","Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RXF-631",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Renal Cancer",NA,"CVCL_A780","RXF 631L16682021_",NA,NA,"Renal cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1668","Raji","Lymphoid","Raji","Raji","RAJI",NA,"RAJI",NA,"Raji",NA,"Raji","Raji","Raji",NA,"RAJI","RAJI","Raji",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0511","Raji_1282_2019","Raji","haematopoietic_and_lymphoid_tissue","Epstein-Barr virus-related Burkitt lymphoma","Cancer cell line",NA,"ACH-000654",NA,NA,NA,NA
+"1669","Ramos","Lymphoid",NA,NA,NA,NA,"RAMOS",NA,NA,NA,NA,NA,NA,NA,NA,"RAMOS",NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0597","RAMOS_1283_2019",NA,"haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-001636",NA,NA,NA,NA
+"1670","Ramos.2G6.4C10","Lymphoid","Ramos-2G6-4C10",NA,NA,NA,NA,NA,"Ramos-2G6-4C10","Ramos-2G6-4C10",NA,NA,"Ramos-2G6-4C10",NA,NA,NA,"Ramos-2G6-4C10",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1646","Ramos2G64C10_1284_2019","Ramos-2G6-4C10","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-002300",NA,NA,NA,NA
+"1671","Reh","Lymphoid","REH","Reh",NA,NA,NA,NA,"REH",NA,"Reh","Reh","REH",NA,"REH","Reh","REH",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1650","REH_1299_2019","REH","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000960",NA,NA,NA,NA
+"1672","Res256","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_DG09","Res25616732021_",NA,NA,NA,NA,NA,"ACH-001172",NA,NA,NA,NA
+"1673","Res262","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU83","Res26216742021_",NA,NA,NA,NA,NA,"ACH-001173",NA,NA,NA,NA
+"1674","Rh1","Bone","RH-1",NA,NA,NA,NA,NA,"RH-1","RH-1",NA,NA,"RH-1",NA,NA,NA,"RH-1",NA,NA,"soft_tissue",NA,NA,NA,NA,NA,"Muscle",NA,"soft_tissue",NA,NA,"soft_tissue",NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1658","RH1_1310_2019","RH-1","soft_tissue","Ewing sarcoma","Cancer cell line",TRUE,"ACH-002194",NA,NA,NA,NA
+"1675","Rh18","Soft Tissue","RH-18","RH-18",NA,NA,NA,NA,"RH-18",NA,"RH-18","RH-18","RH-18",NA,"RH18",NA,"RH-18",NA,NA,"soft_tissue","soft_tissue",NA,NA,NA,NA,"Muscle","soft_tissue","soft_tissue",NA,NA,"soft_tissue","soft_tissue",NA,"soft_tissue","RH18","soft_tissue",NA,NA,NA,NA,"CVCL_1659","RH18_1311_2019","RH-18","soft_tissue","Alveolar rhabdomyosarcoma","Cancer cell line",NA,"ACH-000689",NA,NA,NA,NA
+"1676","Rh28","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8752","Rh2816772021_",NA,NA,NA,NA,NA,"ACH-001740",NA,NA,NA,NA
+"1677","Rh30","Soft Tissue","SJRH30","RH-30///SJRH30","SJRH30",NA,"SJCRH30",NA,"SJRH30","SJRH30","RH-30","RH-30","SJRH30",NA,"RH30","SJCRH30","SJRH30",NA,"RH30_SOFT_TISSUE","soft_tissue","soft_tissue","muscle",NA,"Skeletal Muscle",NA,"Muscle","soft_tissue","soft_tissue",NA,NA,"soft_tissue","soft_tissue",NA,"soft_tissue","RH30","soft_tissue",NA,NA,NA,"rhabdomyosarcoma","CVCL_0041","RH30_1312_2019","SJRH30","soft_tissue","Alveolar rhabdomyosarcoma","Cancer cell line",TRUE,"ACH-001189///ACH-000833",NA,NA,NA,NA
+"1678","Rh36","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M599","Rh3616792021_",NA,NA,NA,NA,NA,"ACH-001751",NA,NA,NA,NA
+"1679","Rh4","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5916","Rh416802021_",NA,NA,NA,NA,NA,"ACH-001765",NA,NA,NA,NA
+"1680","Rh41","Soft Tissue",NA,"RH-41",NA,NA,NA,NA,"RH-41",NA,"RH-41","RH-41","RH-41",NA,"RH41",NA,"RH-41",NA,NA,NA,"soft_tissue",NA,NA,NA,NA,"Muscle","soft_tissue",NA,NA,NA,"soft_tissue","soft_tissue",NA,"soft_tissue","RH41","soft_tissue",NA,NA,NA,NA,"CVCL_2176","RH41_1313_2019","RH-41","soft_tissue","Alveolar rhabdomyosarcoma","Cancer cell line",NA,"ACH-000100",NA,NA,NA,NA
+"1681","RhJT","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU81","RhJT16822021_",NA,NA,NA,NA,NA,"ACH-001745",NA,NA,NA,NA
+"1682","Ri-1","Lymphoid",NA,"RI-1",NA,NA,"RI-1",NA,NA,NA,"RI-1","RI-1",NA,NA,"RI1","RI-1",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1885","RI1_1314_2019",NA,"haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma activated B-cell type","Cancer cell line",NA,"ACH-000398",NA,NA,NA,NA
+"1683","S-117","Thyroid","S-117","S-117",NA,NA,NA,NA,"S-117",NA,"S-117","S-117","S-117",NA,NA,"S-117",NA,NA,"S117_THYROID","soft_tissue","soft_tissue",NA,NA,NA,NA,"Thyroid","soft_tissue","thyroid",NA,NA,"soft_tissue",NA,"Thyroid","soft_tissue",NA,NA,NA,NA,NA,"thyroid","CVCL_1674","S117_1339_2019",NA,"soft_tissue","Thyroid gland sarcoma","Cancer cell line",NA,"ACH-000037",NA,NA,NA,NA
+"1684","SACC-83","Head and Neck",NA,NA,NA,NA,NA,NA,"SACC-83",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,"CVCL_H589","SACC83_1341_2019",NA,"head_and_neck","Salivary gland adenoid cystic carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1685","SALE","Other",NA,"SALE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WS60","SALE_1342_2019",NA,"lung",NA,"Transformed cell line",NA,"ACH-000064",NA,NA,NA,NA
+"1686","SAS","Head and Neck","SAS",NA,NA,NA,NA,NA,"SAS","SAS",NA,NA,"SAS",NA,NA,"SAS","SAS",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"Head & Neck",NA,"aero_digestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1675","SAS_1345_2019","SAS","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-002029",NA,NA,NA,NA
+"1687","SAT [Human HNSCC]","Head and Neck",NA,NA,NA,NA,NA,NA,"SAT","SAT",NA,NA,"SAT",NA,NA,"SAT","SAT",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,"CVCL_3160","SAT_1346_2019","SAT","head_and_neck","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-001641",NA,NA,NA,NA
+"1688","SBC-1","Lung","SBC-1",NA,NA,NA,NA,NA,"SBC-1","SBC-1",NA,NA,"SBC-1",NA,NA,NA,"SBC-1",NA,NA,"lung",NA,NA,NA,NA,NA,"Lung",NA,"lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1676","SBC1_1347_2019","SBC-1","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-002196",NA,NA,NA,NA
+"1689","SBC-3","Lung",NA,NA,NA,NA,NA,NA,"SBC-3","SBC-3",NA,NA,"SBC-3",NA,NA,NA,"SBC-3",NA,NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,NA,"CVCL_1678","SBC3_1348_2019","SBC-3","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-002197",NA,NA,NA,NA
+"1690","SBC-5","Lung","SBC-5","SBC-5",NA,NA,NA,NA,"SBC-5",NA,"SBC-5","SBC-5","SBC-5",NA,"SBC5",NA,"SBC-5",NA,"SBC5_LUNG","lung","lung",NA,NA,NA,NA,"Lung","lung","lung",NA,NA,"lung","lung",NA,"lung",NA,NA,NA,NA,NA,"lung","CVCL_1679","SBC5_1349_2019","SBC-5","lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000670",NA,NA,NA,NA
+"1691","SCC-12","Skin",NA,NA,"SCC12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCC-1216922021_",NA,"head_and_neck","Skin squamous cell carcinoma",NA,NA,NA,NA,NA,NA,NA
+"1692","SCC-13","Skin",NA,NA,"SCC13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCC-1316932021_",NA,"head_and_neck","Skin squamous cell carcinoma",NA,NA,NA,NA,NA,NA,NA
+"1693","SCC-15","Head and Neck","SCC-15","SCC-15","SCC15",NA,"SCC-15",NA,"SCC-15",NA,"SCC-15","SCC-15","SCC-15",NA,NA,"SCC-15","SCC-15",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract","head_and_neck",NA,"Tongue",NA,"Head & Neck","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1681","SCC15_1352_2019","SCC-15","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000254",NA,NA,NA,NA
+"1694","SCC-25","Head and Neck","SCC-25","SCC-25","SCC25",NA,"SCC-25",NA,"SCC-25",NA,"SCC-25","SCC-25","SCC-25",NA,"SCC25","SCC-25","SCC-25",NA,"SCC25_UPPER_AERODIGESTIVE_TRACT","upper_aerodigestive_tract","upper_aerodigestive_tract","head_and_neck",NA,"Tongue",NA,"Head & Neck","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,"upper_aerodigestive_tract","SCC25","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_1682","SCC25_1353_2019","SCC-25","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000188",NA,NA,NA,NA
+"1695","SCC-3","Lymphoid","SCC-3",NA,NA,NA,"SCC-3",NA,"SCC-3","SCC-3",NA,NA,"SCC-3",NA,NA,"SCC-3","SCC-3",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"Blood",NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1683","SCC3_1354_2019","SCC-3","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-001642",NA,NA,NA,NA
+"1696","SCC-4","Head and Neck","SCC-4","SCC-4","SCC4",NA,NA,NA,"SCC-4",NA,"SCC-4","SCC-4","SCC-4",NA,"SCC4",NA,"SCC-4",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract","head_and_neck",NA,NA,NA,"Head & Neck","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1684","SCC4_1355_2019","SCC-4","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000238",NA,NA,NA,NA
+"1697","SCC-9","Head and Neck","SCC-9","SCC-9","SCC9",NA,"SCC-9","SCC9","SCC-9",NA,"SCC-9","SCC-9","SCC-9",NA,"SCC9","SCC-9","SCC-9",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract","head_and_neck",NA,"Tongue","UPPER_AERODIGESTIVE_TRACT","Head & Neck","upper_aerodigestive_tract","aero_digestive_tract",NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,"upper_aerodigestive_tract","SCC9","upper_aerodigestive_tract",NA,NA,NA,NA,"CVCL_1685","SCC9_1356_2019","SCC-9","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000181",NA,NA,NA,NA
+"1698","SCCH-196","Bone",NA,NA,NA,NA,NA,NA,"SCCH-196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Misc",NA,NA,NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_3161","SCCH196_1358_2019",NA,"bone","Ewing sarcoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1699","SCCH-26","Peripheral Nervous System","SCCH-26",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCCH-2617002021_",NA,"autonomic_ganglia","Neuroblastoma",NA,NA,NA,NA,NA,NA,NA
+"1700","SCCOHT-1","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_VU69","SCCOHT-117012021_",NA,NA,NA,NA,NA,"ACH-001279",NA,NA,NA,NA
+"1701","SCH","Esophagus/Stomach","SCH",NA,NA,NA,NA,NA,"SCH","SCH",NA,NA,"SCH",NA,NA,NA,"SCH",NA,NA,"stomach",NA,NA,NA,NA,NA,"Stomach",NA,"digestive_system",NA,NA,"stomach",NA,NA,"stomach",NA,NA,NA,NA,NA,NA,"CVCL_1687","SCH_1359_2019","SCH","stomach","Gastric choriocarcinoma","Cancer cell line",TRUE,"ACH-002198",NA,NA,NA,NA
+"1702","SCLC-21H","Lung","SCLC-21H","SCLC-21H",NA,NA,"SCLC-21H","SCLC21H",NA,NA,"SCLC-21H","SCLC-21H",NA,NA,"SCLC21H","SCLC-21H",NA,NA,NA,"lung","lung",NA,NA,"Lung","LUNG",NA,"lung",NA,NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_0024","SCLC21H_1361_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-000659",NA,NA,NA,NA
+"1703","SCLC-22H","Lung",NA,NA,NA,NA,"SCLC-22H",NA,NA,NA,NA,NA,NA,NA,NA,"SCLC-22H",NA,NA,NA,NA,NA,NA,NA,"Lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2186","SCLC22H_1362_2019",NA,"lung","Small cell lung carcinoma","Cancer cell line",TRUE,"ACH-001386",NA,NA,NA,NA
+"1704","SCMC-RM2","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A667","SCMC-RM217052021_",NA,NA,NA,NA,NA,"ACH-001184",NA,NA,NA,NA
+"1705","SCS214","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_WU91","SCS21417062021_",NA,NA,NA,NA,NA,"ACH-001280",NA,NA,NA,NA
+"1706","SCaBER","Bladder/Urinary Tract",NA,"SCaBER","SCABER",NA,NA,NA,"SCaBER",NA,"SCaBER","SCaBER","SCaBER",NA,"SCABER",NA,NA,NA,"SCABER_URINARY_TRACT",NA,"urinary_tract","bladder",NA,NA,NA,"Bladder","urinary_tract",NA,NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","SCABER","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_3599","SCaBER_1351_2019",NA,"urinary_tract","Bladder squamous cell carcinoma","Cancer cell line",NA,"ACH-000839",NA,NA,NA,NA
+"1707","SEKI","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3162","SEKI17082021_",NA,NA,NA,NA,NA,"ACH-001645",NA,NA,NA,NA
+"1708","SEM","Lymphoid",NA,"SEM","SEM",NA,NA,NA,NA,NA,"SEM","SEM",NA,NA,"SEM",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0095","SEM_1363_2019",NA,"haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000782",NA,NA,NA,NA
+"1709","SEMK2","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_S906","SEMK217102021_",NA,NA,NA,NA,NA,"ACH-001735",NA,NA,NA,NA
+"1710","SET-2","Myeloid",NA,"Set-2",NA,NA,"SET-2",NA,NA,"Set2","Set-2","Set-2","Set2",NA,"SET2","SET-2",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2187","Set2_1364_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult acute megakaryoblastic leukemia","Cancer cell line",NA,"ACH-000195",NA,NA,NA,NA
+"1711","SF126","CNS/Brain","SF126","SF126",NA,NA,NA,NA,"SF126",NA,"SF126","SF126","SF126",NA,"SF126",NA,"SF126",NA,"SF126_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","SF126","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1688","SF126_1366_2019","SF126","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000609",NA,NA,NA,NA
+"1712","SF172","CNS/Brain",NA,"SF-172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V613","SF172_1365_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000887",NA,NA,NA,NA
+"1713","SF268","CNS/Brain","SF268","SF268","SF268",NA,"SF268",NA,"SF268",NA,"SF268","SF268","SF268",NA,"SF268","SF268","SF268","SF-268///CNS.SF.268",NA,"central_nervous_system",NA,"cns",NA,"Brain",NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system",NA,"Brain","central_nervous_system","SF268",NA,NA,NA,"CNS Cancer///Central nervous system",NA,"CVCL_1689","SF268_1367_2019","SF268","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000655",NA,NA,NA,NA
+"1714","SF295","CNS/Brain","SF295","SF-295","SF295",NA,NA,"SF295","SF295",NA,"SF-295","SF-295","SF295",NA,"SF295",NA,"SF295","SF-295///CNS.SF.295","SF295_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","cns",NA,NA,"CENTRAL_NERVOUS_SYSTEM","Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","SF295","central_nervous_system",NA,NA,"CNS Cancer///Central nervous system","central_nervous_system","CVCL_1690","SF295_1368_2019","SF295","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000376",NA,NA,NA,NA
+"1715","SF539","CNS/Brain","SF539","SF539","SF539",NA,"SF539",NA,"SF539",NA,"SF539","SF539","SF539",NA,"SF539","SF539","SF539","SF-539///CNS.SF.539","SF539_CENTRAL_NERVOUS_SYSTEM","central_nervous_system",NA,"cns",NA,"Brain",NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system",NA,"Brain","central_nervous_system","SF539",NA,NA,NA,"CNS Cancer///Central nervous system","central_nervous_system","CVCL_1691","SF539_1369_2019","SF539","central_nervous_system","Gliosarcoma","Cancer cell line",NA,"ACH-000273",NA,NA,NA,NA
+"1716","SF767","Cervix",NA,"SF767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SF-767",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,"CVCL_6950","SF767_1370_2019",NA,"central_nervous_system","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000490",NA,NA,NA,NA
+"1717","SF8657","Skin",NA,"SF8657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_K085","SF8657_1371_2019",NA,"skin",NA,"Finite cell line",NA,"ACH-001187",NA,NA,NA,NA
+"1718","SG231","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0519","SG23117192021_",NA,NA,NA,NA,NA,"ACH-001857",NA,NA,NA,NA
+"1719","SH-10-TC","Esophagus/Stomach",NA,"SH-10-TC",NA,NA,NA,"SH10TC",NA,NA,"SH-10-TC","SH-10-TC",NA,NA,"SH10TC",NA,NA,NA,"SH10TC_STOMACH",NA,"stomach",NA,NA,NA,"STOMACH",NA,"stomach",NA,NA,NA,"stomach","stomach",NA,NA,"SH10TC","stomach",NA,NA,NA,"gastric","CVCL_5167","SH10TC_1372_2019",NA,"stomach","Mucinous gastric adenocarcinoma","Cancer cell line",NA,"ACH-000764",NA,NA,NA,NA
+"1720","SH-4","Skin","SH-4","SH-4","SH4",NA,NA,NA,"SH-4",NA,"SH-4","SH-4","SH-4",NA,"SH4",NA,"SH-4",NA,"SH4_SKIN","skin","skin","skin",NA,NA,NA,"Skin","skin","skin",NA,NA,"skin","skin",NA,"skin",NA,NA,NA,NA,NA,"skin","CVCL_1692","SH4_1373_2019","SH-4","skin","Melanoma","Cancer cell line",TRUE,"ACH-000441",NA,NA,NA,NA
+"1721","SH-SY5Y","Peripheral Nervous System",NA,"SH-SY5Y",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0019","SHSY5Y_1374_2019",NA,"autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-001188",NA,NA,NA,NA
+"1722","SHI-1","Myeloid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2191","SHI-117232021_",NA,NA,NA,NA,NA,"ACH-001647",NA,NA,NA,NA
+"1723","SHP-77","Lung","SHP-77","SHP-77","SHP77",NA,NA,"SHP77","SHP-77",NA,"SHP-77","SHP-77","SHP-77",NA,"SHP77",NA,"SHP-77",NA,NA,"lung","lung","lung",NA,NA,"LUNG","Lung","lung","lung",NA,NA,"lung","lung",NA,"lung","SHP77","lung",NA,NA,NA,NA,"CVCL_1693","SHP77_1375_2019","SHP-77","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000790",NA,NA,NA,NA
+"1724","SIG-M5","Myeloid","SIG-M5","SIG-M5",NA,NA,"SIG-M5",NA,"SIG-M5",NA,"SIG-M5","SIG-M5","SIG-M5",NA,"SIGM5","SIG-M5","SIG-M5",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"SIGM5","blood",NA,NA,"CVCL_1694","SIGM5_1376_2019","SIG-M5","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000112",NA,NA,NA,NA
+"1725","SJNB-10","Peripheral Nervous System","NB10",NA,NA,NA,NA,NA,"NB10","NB10",NA,NA,"NB10",NA,NA,NA,"NB10",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1441","NB10_985_2019","NB10","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002278",NA,NA,NA,NA
+"1726","SJNB-12","Peripheral Nervous System","NB12",NA,NA,NA,NA,NA,"NB12","NB12",NA,NA,"NB12",NA,NA,NA,"NB12",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1442","NB12_986_2019","NB12","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-002279",NA,NA,NA,NA
+"1727","SJNB-13","Peripheral Nervous System","NB13",NA,NA,NA,NA,NA,"NB13","NB13",NA,NA,"NB13",NA,NA,NA,"NB13",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1443","NB13_987_2019","NB13","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002280",NA,NA,NA,NA
+"1728","SJNB-14","Peripheral Nervous System","NB14",NA,NA,NA,NA,NA,"NB14","NB14",NA,NA,"NB14",NA,NA,NA,"NB14",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1444","NB14_988_2019","NB14","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002281",NA,NA,NA,NA
+"1729","SJNB-17","Peripheral Nervous System","NB17",NA,NA,NA,NA,NA,"NB17","NB17",NA,NA,"NB17",NA,NA,NA,"NB17",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1445","NB17_989_2019","NB17","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002282",NA,NA,NA,NA
+"1730","SJNB-5","Peripheral Nervous System","NB5",NA,NA,NA,NA,NA,"NB5","NB5",NA,NA,"NB5",NA,NA,NA,"NB5",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_8822","NB5_991_2019","NB5","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-002283",NA,NA,NA,NA
+"1731","SJNB-6","Peripheral Nervous System","NB6",NA,NA,NA,NA,NA,"NB6","NB6",NA,NA,"NB6",NA,NA,NA,"NB6",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"autonomic_ganglia",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_8823","NB6_992_2019","NB6","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002284",NA,NA,NA,NA
+"1732","SJNB-7","Peripheral Nervous System","NB7",NA,NA,NA,NA,NA,"NB7","NB7",NA,NA,"NB7",NA,NA,NA,"NB7",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"PNS",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_8824","NB7_994_2019","NB7","autonomic_ganglia","Neuroblastoma","Cancer cell line",NA,"ACH-002285",NA,NA,NA,NA
+"1733","SJSA-1","Bone","SJSA-1","SJSA-1","SJSA1",NA,NA,NA,"SJSA-1",NA,"SJSA-1","SJSA-1","SJSA-1",NA,"SJSA1","SJSA-1","SJSA-1",NA,"SJSA1_BONE","bone","bone","bone",NA,NA,NA,"bone","bone","bone",NA,NA,"bone","bone",NA,"bone","SJSA1","bone",NA,NA,NA,"bone","CVCL_1697","SJSA1_1382_2019","SJSA-1","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000748",NA,NA,NA,NA
+"1734","SK-BR-3","Breast",NA,"SK-BR-3","SKBR3","SKBR3","SK-BR-3",NA,NA,NA,"SK-BR-3","SK-BR-3",NA,"skbr3","SKBR3","SK-BR-3",NA,"SK-BR-3",NA,NA,"breast","breast","breast","Breast",NA,NA,"breast",NA,"SKBR3","breast","breast","breast","Breast",NA,"SKBR3","breast","SKBR3","breast","Breast Cancer",NA,"CVCL_0033","SKBR3_1383_2019",NA,"breast","Breast adenocarcinoma","Cancer cell line",TRUE,"ACH-000017",NA,NA,NA,NA
+"1735","SK-BR-5","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"skbr5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SKBR5","breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5217","SKBR5_1384_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-002329",NA,NA,NA,NA
+"1736","SK-BR-7","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"skbr7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SKBR7","breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5218","SKBR7_1385_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-002330",NA,NA,NA,NA
+"1737","SK-CO-1","Bowel","SK-CO-1","SK-CO-1",NA,NA,"SK-CO-1","SKCO1","SK-CO-1",NA,"SK-CO-1","SK-CO-1","SK-CO-1",NA,"SKCO1","SK-CO-1","SK-CO-1",NA,NA,"large_intestine","large_intestine",NA,NA,"Colon","LARGE_INTESTINE","large_intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","SKCO1","large_intestine",NA,NA,NA,NA,"CVCL_0626","SKCO1_1386_2019","SK-CO-1","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000400",NA,NA,NA,NA
+"1738","SK-ES-1","Bone",NA,"SK-ES-1",NA,NA,NA,NA,"SK-ES-1",NA,"SK-ES-1","SK-ES-1","SK-ES-1",NA,"SKES1",NA,"SK-ES-1",NA,"SKES1_BONE",NA,"bone",NA,NA,NA,NA,"Bone","bone",NA,NA,NA,"bone","bone",NA,"bone","SKES1","bone",NA,NA,NA,"bone","CVCL_0627","SKES1_1387_2019","SK-ES-1","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000087",NA,NA,NA,NA
+"1739","SK-GT-2","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"SK-GT-2","SK-GT-2",NA,NA,"SK-GT-2",NA,NA,NA,"SK-GT-2",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,NA,NA,NA,"esophagus",NA,NA,NA,NA,NA,NA,"CVCL_2194","SKGT2_1388_2019","SK-GT-2","oesophagus","Gastric fundus carcinoma","Cancer cell line",NA,"ACH-001653",NA,NA,NA,NA
+"1740","SK-GT-4","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"SK-GT-4","SK-GT-4",NA,NA,"SK-GT-4",NA,NA,NA,"SK-GT-4",NA,NA,NA,NA,NA,NA,NA,NA,"Esophagus",NA,NA,NA,NA,"oesophagus",NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,"CVCL_2195","SKGT4_1389_2019","SK-GT-4","oesophagus","Esophageal adenocarcinoma","Cancer cell line",NA,"ACH-001654",NA,NA,NA,NA
+"1741","SK-HEP-1","Liver","SK-HEP-1","SK-HEP-1",NA,NA,NA,NA,"SK-HEP-1",NA,"SK-HEP-1","SK-HEP-1","SK-HEP-1",NA,"SKHEP1","SK-HEP-1","SK-HEP-1",NA,"SKHEP1_LIVER","liver","liver",NA,NA,NA,NA,"Liver","liver","digestive_system",NA,NA,"liver","liver","Liver","liver","SKHEP1","liver",NA,NA,NA,"liver","CVCL_0525","SKHEP1_1390_2019","SK-HEP-1","liver","Hepatocellular carcinoma","Cancer cell line",TRUE,"ACH-000361",NA,NA,NA,NA
+"1742","SK-LMS-1","Soft Tissue","SK-LMS-1","SK-LMS-1","SKLMS1",NA,NA,NA,"SK-LMS-1",NA,"SK-LMS-1","SK-LMS-1","SK-LMS-1",NA,"SKLMS1",NA,"SK-LMS-1",NA,NA,"soft_tissue","soft_tissue","vulva",NA,NA,NA,"Misc","soft_tissue","soft_tissue",NA,NA,"soft_tissue","soft_tissue",NA,"soft_tissue","SKLMS1","soft_tissue",NA,NA,NA,NA,"CVCL_0628","SKLMS1_1391_2019","SK-LMS-1","soft_tissue","Vulvar leiomyosarcoma","Cancer cell line",NA,"ACH-000145",NA,NA,NA,NA
+"1743","SK-LU-1","Lung","SK-LU-1","SK-LU-1",NA,NA,NA,"SKLU1","SK-LU-1",NA,"SK-LU-1","SK-LU-1","SK-LU-1",NA,"SKLU1",NA,"SK-LU-1",NA,"SKLU1_LUNG","lung","lung",NA,NA,NA,"LUNG","Lung:NSCLC","lung","lung",NA,NA,"lung","lung",NA,"lung","SKLU1","lung",NA,NA,NA,"lung","CVCL_0629","SKLU1_1392_2019","SK-LU-1","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-000309",NA,NA,NA,NA
+"1744","SK-MEL-1","Skin","SK-MEL-1","SK-MEL-1","SKMEL1",NA,"SK-MEL-1","SKMEL1","SK-MEL-1",NA,"SK-MEL-1","SK-MEL-1","SK-MEL-1",NA,"SKMEL1","SK-MEL-1","SK-MEL-1",NA,NA,"skin","skin","skin",NA,"Skin","SKIN","Skin","skin","skin",NA,NA,"skin","skin","Skin","skin",NA,NA,NA,NA,NA,NA,"CVCL_0068","SKMEL1_1393_2019","SK-MEL-1","skin","Melanoma","Cancer cell line",TRUE,"ACH-000465",NA,NA,NA,NA
+"1745","SK-MEL-19","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6025","SK-MEL-1917462021_",NA,NA,NA,NA,NA,"ACH-002005",NA,NA,NA,NA
+"1746","SK-MEL-2","Skin","SK-MEL-2","SK-MEL-2",NA,NA,"SK-MEL-2",NA,"SK-MEL-2","SK-MEL-2",NA,NA,"SK-MEL-2",NA,"SKMEL2","SK-MEL-2","SK-MEL-2","SK-MEL-2///ME.SK.MEL.2","SKMEL2_SKIN","skin","skin",NA,NA,"Skin",NA,"skin",NA,"skin",NA,NA,"skin","skin","Skin","skin","SKMEL2","skin",NA,NA,"Melanoma","skin","CVCL_0069","SKMEL2_1394_2019","SK-MEL-2","skin","Melanoma","Cancer cell line",TRUE,"ACH-001190","SkMel2","Skin",NA,NA
+"1747","SK-MEL-23","Skin",NA,NA,NA,NA,"SK23",NA,NA,NA,NA,NA,NA,NA,NA,"SK23",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6027","SK23_1416_2019",NA,"skin","Cutaneous melanoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1748","SK-MEL-24","Skin","SK-MEL-24","SK-MEL-24",NA,NA,"SK-MEL-24",NA,"SK-MEL-24",NA,"SK-MEL-24","SK-MEL-24","SK-MEL-24",NA,"SKMEL24","SK-MEL-24","SK-MEL-24",NA,"SKMEL24_SKIN","skin","skin",NA,NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin","SKMEL24","skin",NA,NA,NA,"skin","CVCL_0599","SKMEL24_1395_2019","SK-MEL-24","skin","Melanoma","Cancer cell line",TRUE,"ACH-000822",NA,NA,NA,NA
+"1749","SK-MEL-28","Skin","SK-MEL-28","SK-MEL-28","SKMEL28",NA,"SK-MEL-28","SKMEL28","SK-MEL-28",NA,"SK-MEL-28","SK-MEL-28","SK-MEL-28",NA,"SKMEL28","SK-MEL-28","SK-MEL-28","SK-MEL-28///ME.SK.MEL.28",NA,"haematopoietic_and_lymphoid_tissue","skin","skin",NA,"Skin","SKIN","Skin","haematopoietic_and_lymphoid_tissue","skin",NA,NA,"haematopoietic_and_lymphoid_tissue","skin","Skin","haematopoietic_and_lymphoid_tissue","SKMEL28","skin",NA,NA,"Melanoma",NA,"CVCL_0526","SKMEL28_1396_2019","SK-MEL-28","haematopoietic_and_lymphoid_tissue","Cutaneous melanoma","Cancer cell line",NA,"ACH-000615","SkMel28","Skin",NA,NA
+"1750","SK-MEL-3","Skin","SK-MEL-3","SK-MEL-3","SKMEL3",NA,"SK-MEL-3",NA,"SK-MEL-3",NA,"SK-MEL-3","SK-MEL-3","SK-MEL-3",NA,"SKMEL3","SK-MEL-3","SK-MEL-3",NA,"SKMEL3_SKIN","skin","skin","skin",NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin","SKMEL3","skin",NA,NA,NA,"skin","CVCL_0550","SKMEL3_1397_2019","SK-MEL-3","skin","Cutaneous melanoma","Cancer cell line",TRUE,"ACH-000423",NA,NA,NA,NA
+"1751","SK-MEL-30","Skin","SK-MEL-30","SK-MEL-30",NA,NA,"SK-MEL-30",NA,"SK-MEL-30",NA,"SK-MEL-30","SK-MEL-30","SK-MEL-30",NA,"SKMEL30","SK-MEL-30","SK-MEL-30",NA,"SKMEL30_SKIN","skin","skin",NA,NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin","SKMEL30","skin",NA,NA,NA,"skin","CVCL_0039","SKMEL30_1398_2019","SK-MEL-30","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000810","SkMel30","Skin",NA,NA
+"1752","SK-MEL-31","Skin",NA,"SK-MEL-31",NA,NA,"SK-MEL-31",NA,"SK-MEL-31",NA,"SK-MEL-31","SK-MEL-31","SK-MEL-31",NA,"SKMEL31","SK-MEL-31","SK-MEL-31",NA,NA,NA,"skin",NA,NA,"Skin",NA,"Skin","skin",NA,NA,NA,"skin","skin",NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_0600","SKMEL31_1399_2019","SK-MEL-31","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-000640",NA,NA,NA,NA
+"1753","SK-MEL-5","Skin","SK-MEL-5","SK-MEL-5",NA,NA,"SK-MEL-5","SKMEL5","SK-MEL-5",NA,"SK-MEL-5","SK-MEL-5","SK-MEL-5",NA,"SKMEL5","SK-MEL-5","SK-MEL-5","SK-MEL-5///ME.SK.MEL.5","SKMEL5_SKIN","skin","skin",NA,NA,"Skin","SKIN","Skin","skin","skin",NA,NA,"skin","skin",NA,"skin","SKMEL5","skin",NA,NA,"Melanoma","skin","CVCL_0527","SKMEL5_1400_2019","SK-MEL-5","skin","Cutaneous melanoma","Cancer cell line",TRUE,"ACH-000730","SkMel5","Skin",NA,NA
+"1754","SK-MES-1","Lung","SK-MES-1","SK-MES-1","SKMES1",NA,"SK-MES-1",NA,"SK-MES-1",NA,"SK-MES-1","SK-MES-1","SK-MES-1",NA,"SKMES1","SK-MES-1","SK-MES-1",NA,"SKMES1_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung",NA,NA,NA,NA,NA,"lung","CVCL_0630","SKMES1_1401_2019","SK-MES-1","lung","Squamous cell lung carcinoma","Cancer cell line",TRUE,"ACH-000665",NA,NA,NA,NA
+"1755","SK-MG-1","CNS/Brain","SK-MG-1",NA,NA,NA,NA,NA,"SK-MG-1","SK-MG-1",NA,NA,"SK-MG-1",NA,NA,NA,"SK-MG-1",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"CNS",NA,"nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,"CVCL_1698","SKMG1_1402_2019","SK-MG-1","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-002304",NA,NA,NA,NA
+"1756","SK-MM-2","Lymphoid","SK-MM-2","SK-MM-2",NA,NA,"SK-MM-2",NA,"SK-MM-2",NA,"SK-MM-2","SK-MM-2","SK-MM-2",NA,"SKMM2","SK-MM-2","SK-MM-2",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1699","SKMM2_1403_2019","SK-MM-2","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma","Cancer cell line",NA,"ACH-000363",NA,NA,NA,NA
+"1757","SK-N-AS","Peripheral Nervous System","SK-N-AS","SK-N-AS","SKNAS",NA,"SK-N-AS",NA,"SK-N-AS",NA,"SK-N-AS","SK-N-AS","SK-N-AS",NA,"SKNAS","SK-N-AS","SK-N-AS",NA,"SKNAS_AUTONOMIC_GANGLIA","autonomic_ganglia","autonomic_ganglia","central_nervous_system",NA,"Brain",NA,"Brain","autonomic_ganglia","nervous_system",NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","SKNAS","autonomic_ganglia",NA,NA,NA,"peripheral_nervous_system","CVCL_1700","SKNAS_1404_2019","SK-N-AS","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000260",NA,NA,NA,NA
+"1758","SK-N-BE(2)","Peripheral Nervous System",NA,"SK-N-BE(2)",NA,NA,NA,NA,NA,NA,"SK-N-BE_2_","SK-N-BE_2_",NA,NA,"SKNBE2","SK-N-BE(2)",NA,NA,"SKNBE2_AUTONOMIC_GANGLIA",NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"autonomic_ganglia",NA,NA,NA,NA,"autonomic_ganglia","Brain",NA,"SKNBE2",NA,NA,NA,NA,"peripheral_nervous_system","CVCL_0528","SKNBE(2)_1405_2019",NA,"autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000312",NA,NA,NA,NA
+"1759","SK-N-BE(2)-C","Peripheral Nervous System",NA,NA,"BE2C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0529","SK-N-BE(2)-C17602021_",NA,"brain","Neuroblastoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1760","SK-N-BE(2)-M17","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,"BE2-M17","BE2-M17",NA,NA,"BE2-M17",NA,NA,NA,"BE2-M17",NA,NA,NA,NA,NA,NA,NA,NA,"Brain",NA,NA,NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_0167","BE2M17_85_2019","BE2-M17","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-002217",NA,NA,NA,NA
+"1761","SK-N-DZ","Peripheral Nervous System","SK-N-DZ","SK-N-DZ","SKNDZ",NA,"SK-N-DZ",NA,"SK-N-DZ",NA,"SK-N-DZ","SK-N-DZ","SK-N-DZ",NA,"SKNDZ","SK-N-DZ","SK-N-DZ",NA,NA,"autonomic_ganglia","autonomic_ganglia","brain",NA,"Brain",NA,"Brain","autonomic_ganglia","nervous_system",NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1701","SKNDZ_1406_2019","SK-N-DZ","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000366",NA,NA,NA,NA
+"1762","SK-N-FI","Peripheral Nervous System","SK-N-FI","SK-N-FI","SKNF1",NA,"SK-N-FI",NA,"SK-N-FI",NA,"SK-N-FI","SK-N-FI","SK-N-FI",NA,"SKNFI","SK-N-FI","SK-N-FI",NA,NA,"autonomic_ganglia","autonomic_ganglia","central_nervous_system",NA,"Brain",NA,"Brain","autonomic_ganglia","nervous_system",NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","SKNFI","autonomic_ganglia",NA,NA,NA,NA,"CVCL_1702","SKNFI_1407_2019","SK-N-FI","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000341",NA,NA,NA,NA
+"1763","SK-N-MC","CNS/Brain",NA,"SK-N-MC",NA,NA,NA,NA,NA,NA,"SK-N-MC","SK-N-MC",NA,NA,"SKNMC",NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,"bone",NA,NA,NA,"bone","bone",NA,NA,"SKNMC","bone",NA,NA,NA,NA,"CVCL_0530","SKNMC_1408_2019",NA,"bone","Askin tumor","Cancer cell line",TRUE,"ACH-000039",NA,NA,NA,NA
+"1764","SK-N-MC-IXC","CNS/Brain","MC-IXC",NA,"MCIXC",NA,NA,NA,NA,"MC-IXC",NA,NA,"MC-IXC",NA,NA,"MC-IXC","MC-IXC",NA,NA,"autonomic_ganglia",NA,"central_nervous_system",NA,NA,NA,NA,NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,"Brain","autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1398","MCIXC_886_2019","MC-IXC","autonomic_ganglia","Askin tumor","Cancer cell line",TRUE,"ACH-002160",NA,NA,NA,NA
+"1765","SK-N-SH","Peripheral Nervous System",NA,"SK-N-SH",NA,NA,"SK-N-SH",NA,"SK-N-SH","SK-N-SH",NA,NA,"SK-N-SH",NA,"SKNSH","SK-N-SH","SK-N-SH",NA,NA,NA,"autonomic_ganglia",NA,NA,"Brain",NA,"Brain",NA,NA,NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia","SKNSH","autonomic_ganglia",NA,NA,NA,NA,"CVCL_0531","SKNSH_1409_2019","SK-N-SH","autonomic_ganglia","Neuroblastoma","Cancer cell line",TRUE,"ACH-000149",NA,NA,NA,NA
+"1766","SK-NEP-1","Bone","SK-NEP-1","SKNEP1","SKNEP1",NA,NA,NA,"SK-NEP-1","SK-NEP-1",NA,NA,"SK-NEP-1",NA,NA,NA,NA,NA,NA,"bone",NA,"kidney",NA,NA,NA,"Kidney",NA,"kidney",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_0631","SKNEP1_1410_2019",NA,"bone","Ewing sarcoma","Cancer cell line",TRUE,"ACH-001192",NA,NA,NA,NA
+"1767","SK-OV-3","Ovary/Fallopian Tube","SK-OV-3","SK-OV-3","SKOV3",NA,"SK-OV-3","SKOV3","SK-OV-3",NA,"SK-OV-3","SK-OV-3","SK-OV-3",NA,"SKOV3","SK-OV-3","SK-OV-3","SK-OV-3///OV.SK.OV.3","SKOV3_OVARY","ovary","ovary","ovary",NA,"Ovary","OVARY","Ovary","ovary","urogenital_system",NA,NA,"ovary","ovary","Ovary","ovary","SKOV3","ovary","SKOV3","ovary","Ovarian Cancer///Ovarian","ovary","CVCL_0532","SKOV3_1411_2019","SK-OV-3","ovary","Ovarian serous cystadenocarcinoma","Cancer cell line",TRUE,"ACH-000811",NA,NA,NA,NA
+"1768","SK-PN-DW","CNS/Brain","SK-PN-DW","SKPNDW",NA,NA,NA,NA,"SK-PN-DW","SK-PN-DW",NA,NA,"SK-PN-DW",NA,NA,NA,"SK-PN-DW",NA,NA,"bone",NA,NA,NA,NA,NA,"Bone",NA,"bone",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1703","SKPNDW_1412_2019","SK-PN-DW","bone","Primitive neuroectodermal tumor","Cancer cell line",NA,"ACH-001193",NA,NA,NA,NA
+"1769","SK-RC-20","Kidney",NA,"SK-RC-20",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V605","SKRC20_1414_2019",NA,"kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000385",NA,NA,NA,NA
+"1770","SK-RC-31","Kidney",NA,"SK-RC 31",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6186","SKRC31_1413_2019",NA,"kidney","Renal cell carcinoma","Cancer cell line",TRUE,"ACH-001194",NA,NA,NA,NA
+"1771","SK-UT-1","Uterus","SK-UT-1","SK-UT-1","SKUT1",NA,NA,NA,"SK-UT-1",NA,"SK-UT-1","SK-UT-1","SK-UT-1",NA,"SKUT1",NA,"SK-UT-1",NA,"SKUT1_SOFT_TISSUE","soft_tissue","soft_tissue","uterus",NA,NA,NA,"Muscle","soft_tissue","soft_tissue",NA,NA,"soft_tissue","soft_tissue",NA,"soft_tissue","SKUT1","soft_tissue",NA,NA,NA,"soft_tissue","CVCL_0533","SKUT1_1415_2019","SK-UT-1","soft_tissue","Uterine corpus leiomyosarcoma","Cancer cell line",NA,"ACH-000939",NA,NA,NA,NA
+"1772","SKG-I","Cervix",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2793","SKG-I17732021_",NA,NA,NA,NA,NA,"ACH-001651",NA,NA,NA,NA
+"1773","SKG-II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2794","SKG-II17742021_",NA,NA,NA,NA,NA,"ACH-001652",NA,NA,NA,NA
+"1774","SKG-IIIa","Cervix","SKG-IIIa",NA,NA,NA,NA,NA,"SKG-IIIa","SKG-IIIa",NA,NA,"SKG-IIIa",NA,NA,"SKG-IIIa","SKG-IIIa",NA,NA,"cervix",NA,NA,NA,NA,NA,"Cervix",NA,"urogenital_system",NA,NA,"cervix",NA,"Cervix","cervix",NA,NA,NA,NA,NA,NA,"CVCL_1704","SKGIIIa_1417_2019","SKG-IIIa","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-002020",NA,NA,NA,NA
+"1775","SKM-1","Myeloid","SKM-1","SKM-1",NA,NA,"SKM-1","SKM1","SKM-1",NA,"SKM-1","SKM-1","SKM-1",NA,"SKM1","SKM-1","SKM-1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,"SKM1","blood",NA,NA,"CVCL_0098","SKM1_1418_2019","SKM-1","haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia","Cancer cell line",NA,"ACH-000373",NA,NA,NA,NA
+"1776","SKN","Other",NA,NA,NA,NA,NA,NA,"SKN","SKN",NA,NA,"SKN",NA,NA,NA,"SKN",NA,NA,NA,NA,NA,NA,NA,NA,"Uterus",NA,NA,NA,NA,"soft_tissue",NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3167","SKN_1419_2019","SKN","soft_tissue","Uterine corpus leiomyosarcoma","Cancer cell line",NA,"ACH-001655",NA,NA,NA,NA
+"1777","SKN-3","Head and Neck",NA,NA,NA,NA,NA,NA,"SKN-3","SKN-3",NA,NA,"SKN-3",NA,NA,"SKN-3","SKN-3",NA,NA,NA,NA,NA,NA,NA,NA,"Head & Neck",NA,NA,NA,NA,NA,NA,NA,"head_and_neck",NA,NA,NA,NA,NA,NA,"CVCL_3168","SKN3_1420_2019","SKN-3","head_and_neck","Head and neck squamous cell carcinoma","Cancer cell line",NA,"ACH-002305",NA,NA,NA,NA
+"1778","SKNO-1","Myeloid",NA,"SKNO-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2196","SKNO-117792021_",NA,"haematopoietic_and_lymphoid_tissue","Adult acute myeloid leukemia with maturation",NA,NA,"ACH-001656",NA,NA,NA,NA
+"1779","SKO-007","Lymphoid",NA,NA,"SKO007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SKO-00717802021_",NA,"haematopoietic_and_lymphoid_tissue","Plasma cell myeloma",NA,NA,NA,NA,NA,NA,NA
+"1780","SLR20","Bladder/Urinary Tract",NA,"SLR 20",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V606","SLR20_1421_2019",NA,"kidney","Bladder carcinoma","Cancer cell line",NA,"ACH-000127",NA,NA,NA,NA
+"1781","SLR21","Kidney",NA,"SLR 21",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V607","SLR21_1422_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",TRUE,"ACH-000016",NA,NA,NA,NA
+"1782","SLR23","Kidney",NA,"SLR 23",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V609","SLR23_1423_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",TRUE,"ACH-000246",NA,NA,NA,NA
+"1783","SLR24","Kidney",NA,"SLR 24",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V610","SLR24_1424_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000272",NA,NA,NA,NA
+"1784","SLR25","Kidney",NA,"SLR 25",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V611","SLR25_1425_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",TRUE,"ACH-000300",NA,NA,NA,NA
+"1785","SLR26","Kidney",NA,"SLR 26",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V612","SLR26_1426_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000600",NA,NA,NA,NA
+"1786","SMS-CTR","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A770","SMS-CTR17872021_",NA,NA,NA,NA,NA,"ACH-001196",NA,NA,NA,NA
+"1787","SMS-KCNR","Peripheral Nervous System",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SMS-KCNR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,"CVCL_7134","SMS-KCNR17882021_",NA,NA,"Neuroblastoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"1788","SMZ-1","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_RL84","SMZ-117892021_",NA,NA,NA,NA,NA,"ACH-001197",NA,NA,NA,NA
+"1789","SN12C","Kidney","SN12C",NA,"SN12C",NA,NA,NA,"SN12C","SN12C",NA,NA,"SN12C",NA,NA,NA,"SN12C","SN12C///RE.SN12C",NA,"kidney",NA,"kidney",NA,NA,NA,"Kidney",NA,"kidney",NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,"Renal Cancer///Renal",NA,"CVCL_1705","SN12C_1428_2019","SN12C","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-002199",NA,NA,NA,NA
+"1790","SN12K1","Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SN12K1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Renal Cancer",NA,"CVCL_D106","SN12K117912021_",NA,NA,"Renal cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1791","SNB-19","CNS/Brain","SNB19","SNB-19","SNB19",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SNB-19///CNS.SNB.19",NA,"central_nervous_system","central_nervous_system","central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,"CNS Cancer///Central nervous system",NA,"CVCL_0535","SNB19_1429_2019",NA,"central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-001198",NA,NA,NA,NA
+"1792","SNB-75","CNS/Brain","SNB75","SNB75","SNB75",NA,NA,NA,"SNB75",NA,"SNB75","SNB75","SNB75",NA,"SNB75",NA,"SNB75","SNB-75///CNS.SNB.75","SNB75_CENTRAL_NERVOUS_SYSTEM","central_nervous_system",NA,"cns",NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system",NA,NA,"central_nervous_system","SNB75",NA,NA,NA,"CNS Cancer///Central nervous system","central_nervous_system","CVCL_1706","SNB75_1430_2019","SNB75","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000504",NA,NA,NA,NA
+"1793","SNB-78","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SNB-78",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,"CVCL_B321","SNB-7817942021_",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1794","SNG-M","Uterus","SNG-M","SNG-M",NA,NA,NA,"SNGM","SNG-M",NA,"SNG-M","SNG-M","SNG-M",NA,"SNGM","SNG-M","SNG-M",NA,"SNGM_ENDOMETRIUM","endometrium","endometrium",NA,NA,NA,"ENDOMETRIUM","endometrium","endometrium",NA,NA,NA,"endometrium","endometrium","Uterus","endometrium","SNGM","endometrium",NA,NA,NA,"uterus","CVCL_1707","SNGM_1431_2019","SNG-M","endometrium","Endometrial adenocarcinoma","Cancer cell line",TRUE,"ACH-000974",NA,NA,NA,NA
+"1795","SNU-1","Esophagus/Stomach","NCI-SNU-1","SNU-1","SNU1",NA,"SNU-1",NA,"NCI-SNU-1","NCI-SNU-1","SNU-1","SNU-1","NCI-SNU-1///SNU-1",NA,"SNU1","NCI-SNU-1///SNU-1","NCI-SNU-1",NA,NA,"stomach","stomach","stomach",NA,"Stomach",NA,"Stomach","stomach","digestive_system",NA,NA,"stomach","stomach",NA,"stomach",NA,NA,NA,NA,NA,NA,"CVCL_0099","NCISNU1_1152_2019","NCI-SNU-1","stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000932",NA,NA,NA,NA
+"1796","SNU-1033","Bowel",NA,"SNU-1033",NA,NA,NA,NA,NA,NA,"SNU-1033","SNU-1033",NA,NA,"SNU1033",NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,NA,"SNU1033","large_intestine",NA,NA,NA,NA,"CVCL_5002","SNU1033_1433_2019",NA,"large_intestine","Rectal adenocarcinoma","Cancer cell line",NA,"ACH-000286",NA,NA,NA,NA
+"1797","SNU-1040","Bowel",NA,"SNU-1040",NA,NA,NA,"SNU1040","SNU-1040",NA,"SNU-1040","SNU-1040","SNU-1040",NA,NA,NA,"SNU-1040",NA,NA,NA,"large_intestine",NA,NA,NA,"LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,NA,"large_intestine",NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_5003","SNU1040_1434_2019","SNU-1040","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000999",NA,NA,NA,NA
+"1798","SNU-1041","Head and Neck",NA,"SNU-1041",NA,NA,NA,NA,NA,NA,"SNU-1041","SNU-1041",NA,NA,"SNU1041",NA,NA,NA,"SNU1041_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"SNU1041","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_L085","SNU1041_1435_2019",NA,"upper_aerodigestive_tract","Hypopharyngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000618",NA,NA,NA,NA
+"1799","SNU-1066","Head and Neck",NA,"SNU-1066",NA,NA,NA,NA,NA,NA,"SNU-1066","SNU-1066",NA,NA,"SNU1066",NA,NA,NA,"SNU1066_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,"SNU1066","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_5005","SNU1066_1436_2019",NA,"upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000682",NA,NA,NA,NA
+"1800","SNU-1076","Head and Neck",NA,"SNU-1076",NA,NA,NA,NA,NA,NA,"SNU-1076","SNU-1076",NA,NA,"SNU1076","SNU-1076",NA,NA,"SNU1076_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive","CVCL_5006","SNU1076_1437_2019",NA,"upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000549",NA,NA,NA,NA
+"1801","SNU-1077","Uterus",NA,"SNU-1077",NA,NA,NA,NA,NA,NA,"SNU-1077","SNU-1077",NA,NA,"SNU1077",NA,NA,NA,"SNU1077_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,NA,"endometrium",NA,NA,"SNU1077","endometrium",NA,NA,NA,"uterus","CVCL_5007","SNU1077_1438_2019",NA,"endometrium","Uterine carcinosarcoma","Cancer cell line",NA,"ACH-000302",NA,NA,NA,NA
+"1802","SNU-1079","Biliary Tract",NA,"SNU-1079",NA,NA,NA,NA,NA,NA,"SNU-1079","SNU-1079",NA,NA,"SNU1079",NA,NA,NA,"SNU1079_BILIARY_TRACT",NA,"biliary_tract",NA,NA,NA,NA,NA,"biliary_tract",NA,NA,NA,"biliary_tract","biliary_tract",NA,NA,NA,NA,NA,NA,NA,"bile_duct","CVCL_5008","SNU1079_1439_2019",NA,"biliary_tract","Intrahepatic cholangiocarcinoma","Cancer cell line",NA,"ACH-000209",NA,NA,NA,NA
+"1803","SNU-1105","CNS/Brain",NA,"SNU-1105",NA,NA,NA,NA,NA,NA,"SNU-1105","SNU-1105",NA,NA,"SNU1105",NA,NA,NA,"SNU1105_CENTRAL_NERVOUS_SYSTEM",NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,"SNU1105","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_5010","SNU1105_1440_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000368",NA,NA,NA,NA
+"1804","SNU-119","Ovary/Fallopian Tube",NA,"SNU-119",NA,NA,NA,NA,NA,NA,"SNU-119","SNU-119",NA,NA,"SNU119",NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,"ovary",NA,NA,"SNU119","ovary",NA,NA,NA,NA,"CVCL_5014","SNU119_1441_2019",NA,"ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",TRUE,"ACH-000635",NA,NA,NA,NA
+"1805","SNU-1196","Biliary Tract",NA,"SNU-1196",NA,NA,NA,NA,NA,NA,"SNU-1196","SNU-1196",NA,NA,"SNU1196",NA,NA,NA,"SNU1196_BILIARY_TRACT",NA,"biliary_tract",NA,NA,NA,NA,NA,"biliary_tract",NA,NA,NA,"biliary_tract","biliary_tract",NA,NA,"SNU1196","biliary_tract",NA,NA,NA,"bile_duct","CVCL_5015","SNU1196_1442_2019",NA,"biliary_tract","Hilar cholangiocarcinoma","Cancer cell line",NA,"ACH-000461",NA,NA,NA,NA
+"1806","SNU-1197","Bowel",NA,"SNU-1197",NA,NA,NA,NA,NA,NA,"SNU-1197","SNU-1197",NA,NA,NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5016","SNU1197_1443_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000412",NA,NA,NA,NA
+"1807","SNU-1214","Head and Neck",NA,"SNU-1214",NA,NA,NA,NA,NA,NA,"SNU-1214","SNU-1214",NA,NA,"SNU1214",NA,NA,NA,"SNU1214_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,"SNU1214","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_5017","SNU1214_1444_2019",NA,"upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000715",NA,NA,NA,NA
+"1808","SNU-1272","Kidney",NA,"SNU-1272",NA,NA,NA,NA,NA,NA,"SNU-1272","SNU-1272",NA,NA,"SNU1272",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,"kidney",NA,NA,"SNU1272","kidney",NA,NA,NA,NA,"CVCL_8788","SNU1272_1445_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000513",NA,NA,NA,NA
+"1809","SNU-1544","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5027","SNU-154418102021_",NA,NA,NA,NA,NA,"ACH-001786",NA,NA,NA,NA
+"1810","SNU-16","Esophagus/Stomach","NCI-SNU-16","SNU-16","SNU16",NA,"SNU-16",NA,"NCI-SNU-16","NCI-SNU-16","SNU-16","SNU-16","NCI-SNU-16///SNU-16",NA,"SNU16","NCI-SNU-16///SNU-16","NCI-SNU-16",NA,NA,"stomach","stomach","stomach",NA,"Stomach",NA,"Stomach","stomach",NA,NA,NA,"stomach","stomach","Stomach","stomach",NA,NA,NA,NA,NA,NA,"CVCL_0076","NCISNU16_1153_2019","NCI-SNU-16","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000581",NA,NA,NA,NA
+"1811","SNU-175","Bowel",NA,"SNU-175",NA,NA,NA,"SNU175","SNU-175","SNU-175","SNU-175","SNU-175","SNU-175",NA,"SNU175",NA,"SNU-175",NA,NA,NA,"large_intestine",NA,NA,NA,"LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,"large_intestine","SNU175","large_intestine",NA,NA,NA,NA,"CVCL_5031","SNU175_1447_2019","SNU-175","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000989",NA,NA,NA,NA
+"1812","SNU-182","Liver",NA,"SNU-182","SNU182",NA,"SNU-182",NA,"SNU-182",NA,"SNU-182","SNU-182","SNU-182",NA,"SNU182","SNU-182","SNU-182",NA,NA,NA,"liver","liver",NA,"Liver",NA,"Liver","liver",NA,NA,NA,"liver","liver","Liver","liver","SNU182","liver",NA,NA,NA,NA,"CVCL_0090","SNU182_1448_2019","SNU-182","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000483",NA,NA,NA,NA
+"1813","SNU-201","CNS/Brain",NA,"SNU-201",NA,NA,NA,NA,NA,NA,"SNU-201","SNU-201",NA,NA,"SNU201",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5033","SNU201_1449_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000623",NA,NA,NA,NA
+"1814","SNU-213","Pancreas",NA,"SNU-213",NA,NA,NA,NA,NA,NA,"SNU-213","SNU-213",NA,NA,"SNU213",NA,NA,NA,"SNU213_PANCREAS",NA,"pancreas",NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,"pancreas","pancreas",NA,NA,NA,NA,NA,NA,NA,"pancreas","CVCL_5034","SNU213_1450_2019",NA,"pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000266",NA,NA,NA,NA
+"1815","SNU-216","Esophagus/Stomach",NA,"SNU-216",NA,NA,"SNU-216",NA,NA,NA,"SNU-216","SNU-216",NA,NA,"SNU216","SNU-216",NA,NA,NA,NA,"stomach",NA,NA,"Stomach",NA,NA,"stomach",NA,NA,NA,"stomach","stomach",NA,NA,"SNU216","stomach",NA,NA,NA,NA,"CVCL_3946","SNU216_1451_2019",NA,"stomach","Gastric tubular adenocarcinoma","Cancer cell line",TRUE,"ACH-000466",NA,NA,NA,NA
+"1816","SNU-245","Biliary Tract",NA,"SNU-245",NA,NA,NA,NA,NA,NA,"SNU-245","SNU-245",NA,NA,"SNU245",NA,NA,NA,"SNU245_BILIARY_TRACT",NA,"biliary_tract",NA,NA,NA,NA,NA,"biliary_tract",NA,NA,NA,"biliary_tract","biliary_tract",NA,NA,"SNU245","biliary_tract",NA,NA,NA,"bile_duct","CVCL_5038","SNU245_1452_2019",NA,"biliary_tract","Cholangiocarcinoma","Cancer cell line",NA,"ACH-000268",NA,NA,NA,NA
+"1817","SNU-283","Bowel",NA,"SNU-283",NA,NA,NA,NA,"SNU-283","SNU-283","SNU-283",NA,"SNU-283",NA,NA,NA,"SNU-283",NA,NA,NA,"large_intestine",NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,"large_intestine",NA,NA,"large_intestine","SNU283","large_intestine",NA,NA,NA,NA,"CVCL_5044","SNU283_1453_2019","SNU-283","large_intestine","Rectal adenocarcinoma","Cancer cell line",TRUE,"ACH-000708",NA,NA,NA,NA
+"1818","SNU-308","Biliary Tract",NA,"SNU-308",NA,NA,NA,NA,NA,NA,"SNU-308","SNU-308",NA,NA,"SNU308",NA,NA,NA,"SNU308_BILIARY_TRACT",NA,"biliary_tract",NA,NA,NA,NA,NA,"biliary_tract",NA,NA,NA,"biliary_tract","biliary_tract",NA,NA,"SNU308","biliary_tract",NA,NA,NA,"bile_duct","CVCL_5048","SNU308_1454_2019",NA,"biliary_tract","Gallbladder carcinoma","Cancer cell line",NA,"ACH-000141",NA,NA,NA,NA
+"1819","SNU-324","Pancreas",NA,"SNU-324",NA,NA,NA,NA,NA,NA,"SNU-324","SNU-324",NA,NA,NA,NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5051","SNU324_1455_2019",NA,"pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000933",NA,NA,NA,NA
+"1820","SNU-349","Kidney",NA,"SNU-349",NA,NA,NA,NA,NA,NA,"SNU-349","SNU-349",NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5054","SNU349_1456_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000907",NA,NA,NA,NA
+"1821","SNU-387","Liver","SNU-387","SNU-387","SNU387",NA,"SNU-387",NA,"SNU-387",NA,"SNU-387","SNU-387","SNU-387",NA,"SNU387","SNU-387","SNU-387",NA,NA,"liver","liver","liver",NA,"Liver",NA,"Liver","liver","digestive_system",NA,NA,"liver","liver","Liver","liver","SNU387","liver",NA,NA,NA,NA,"CVCL_0250","SNU387_1457_2019","SNU-387","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000478",NA,NA,NA,NA
+"1822","SNU-398","Liver",NA,"SNU-398","SNU398",NA,"SNU-398","SNU398","SNU-398",NA,"SNU-398","SNU-398","SNU-398",NA,"SNU398","SNU-398","SNU-398",NA,"SNU398_LIVER",NA,"liver","liver",NA,"Liver","LIVER","Liver","liver",NA,NA,NA,"liver","liver","Liver","liver","SNU398","liver",NA,NA,NA,"liver","CVCL_0077","SNU398_1458_2019","SNU-398","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000221",NA,NA,NA,NA
+"1823","SNU-407","Bowel",NA,"SNU-407",NA,NA,NA,NA,"SNU-407","SNU-407","SNU-407","SNU-407","SNU-407",NA,"SNU407",NA,"SNU-407",NA,"SNU407_LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,NA,"large_intestine","large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,"large_intestine","SNU407","large_intestine",NA,NA,NA,"colorectal","CVCL_5058","SNU407_1459_2019","SNU-407","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000955",NA,NA,NA,NA
+"1824","SNU-410","Pancreas",NA,"SNU-410",NA,NA,NA,NA,NA,NA,"SNU-410","SNU-410",NA,NA,"SNU410",NA,NA,NA,"SNU410_PANCREAS",NA,"pancreas",NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,"pancreas","pancreas",NA,NA,NA,NA,NA,NA,NA,"pancreas","CVCL_5059","SNU410_1460_2019",NA,"pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000517",NA,NA,NA,NA
+"1825","SNU-423","Liver","SNU-423","SNU-423","SNU423",NA,"SNU-423",NA,"SNU-423",NA,"SNU-423","SNU-423","SNU-423",NA,"SNU423","SNU-423","SNU-423",NA,"SNU423_LIVER","liver","liver","liver",NA,"Liver",NA,"Liver","liver","digestive_system",NA,NA,"liver","liver","Liver","liver","SNU423","liver",NA,NA,NA,"liver","CVCL_0366","SNU423_1461_2019","SNU-423","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000493",NA,NA,NA,NA
+"1826","SNU-449","Liver","SNU-449","SNU-449","SNU449",NA,"SNU-449","SNU449","SNU-449",NA,"SNU-449","SNU-449","SNU-449",NA,"SNU449","SNU-449","SNU-449",NA,"SNU449_LIVER","liver","liver","liver",NA,"Liver","LIVER","Liver","liver","digestive_system",NA,NA,"liver","liver","Liver","liver","SNU449","liver",NA,NA,NA,"liver","CVCL_0454","SNU449_1462_2019","SNU-449","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000420",NA,NA,NA,NA
+"1827","SNU-46","Head and Neck",NA,"SNU-46",NA,NA,NA,NA,NA,NA,"SNU-46",NA,NA,NA,"SNU46",NA,NA,NA,"SNU46_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,"SNU46","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_5063","SNU46_1463_2019",NA,"upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000500",NA,NA,NA,NA
+"1828","SNU-466","CNS/Brain",NA,"SNU-466",NA,NA,NA,NA,NA,NA,"SNU-466","SNU-466",NA,NA,"SNU466",NA,NA,NA,"SNU466_CENTRAL_NERVOUS_SYSTEM",NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,"SNU466","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_5064","SNU466_1464_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000289",NA,NA,NA,NA
+"1829","SNU-475","Liver","SNU-475","SNU-475","SNU475",NA,"SNU-475",NA,"SNU-475",NA,"SNU-475","SNU-475","SNU-475",NA,"SNU475","SNU-475","SNU-475",NA,NA,"liver","liver","liver",NA,"Liver",NA,"Liver","liver","digestive_system",NA,NA,"liver","liver","Liver","liver","SNU475","liver",NA,NA,NA,NA,"CVCL_0497","SNU475_1465_2019","SNU-475","liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000422",NA,NA,NA,NA
+"1830","SNU-478","Ampulla of Vater",NA,"SNU-478",NA,NA,NA,NA,NA,NA,"SNU-478","SNU-478",NA,NA,"SNU478",NA,NA,NA,NA,NA,"biliary_tract",NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,"pancreas","biliary_tract",NA,NA,"SNU478","biliary_tract",NA,NA,NA,NA,"CVCL_5065","SNU478_1466_2019",NA,"pancreas","Ampulla of Vater adenocarcinoma","Cancer cell line",NA,"ACH-000377",NA,NA,NA,NA
+"1831","SNU-484","Esophagus/Stomach",NA,NA,NA,NA,"SNU-484",NA,NA,NA,NA,NA,NA,NA,NA,"SNU-484",NA,NA,NA,NA,NA,NA,NA,"Stomach",NA,NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0100","SNU484_1467_2019",NA,"stomach","Gastric adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1832","SNU-489","CNS/Brain",NA,"SNU-489",NA,NA,NA,NA,NA,NA,"SNU-489","SNU-489",NA,NA,"SNU489",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5069","SNU489_1468_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000543",NA,NA,NA,NA
+"1833","SNU-5","Esophagus/Stomach","NCI-SNU-5","SNU-5","SNU5",NA,"SNU-5",NA,"NCI-SNU-5",NA,"SNU-5","SNU-5","NCI-SNU-5///SNU-5",NA,"SNU5","NCI-SNU-5///SNU-5","NCI-SNU-5",NA,NA,"stomach","stomach","stomach",NA,"Stomach",NA,"Stomach","stomach","digestive_system",NA,NA,"stomach","stomach","Stomach","stomach",NA,NA,NA,NA,NA,NA,"CVCL_0078","NCISNU5_1154_2019","NCI-SNU-5","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000303",NA,NA,NA,NA
+"1834","SNU-503","Bowel",NA,"SNU-503",NA,NA,NA,NA,NA,NA,"SNU-503","SNU-503",NA,NA,"SNU503",NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,NA,"SNU503","large_intestine",NA,NA,NA,NA,"CVCL_5071","SNU503_1470_2019",NA,"large_intestine","Rectal adenocarcinoma","Cancer cell line",TRUE,"ACH-000683",NA,NA,NA,NA
+"1835","SNU-520","Esophagus/Stomach",NA,"SNU-520",NA,NA,NA,NA,NA,NA,"SNU-520","SNU-520",NA,NA,NA,NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,"stomach",NA,NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5072","SNU520_1471_2019",NA,"stomach","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-000908",NA,NA,NA,NA
+"1836","SNU-601","Esophagus/Stomach",NA,"SNU-601",NA,NA,"SNU-601",NA,NA,NA,"SNU-601","SNU-601",NA,NA,"SNU601","SNU-601",NA,NA,"SNU601_STOMACH",NA,"stomach",NA,NA,"Stomach",NA,NA,"stomach",NA,NA,NA,"stomach","stomach",NA,NA,"SNU601","stomach",NA,NA,NA,"gastric","CVCL_0101","SNU601_1472_2019",NA,"stomach","Signet ring cell gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000736",NA,NA,NA,NA
+"1837","SNU-61","Bowel",NA,"SNU-61",NA,NA,NA,"SNU61","SNU-61",NA,"SNU-61","SNU-61","SNU-61",NA,"SNU61",NA,"SNU-61",NA,"SNU61_LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,"large_intestine","SNU61","large_intestine",NA,NA,NA,"colorectal","CVCL_5078","SNU61_1473_2019","SNU-61","large_intestine","Rectal adenocarcinoma","Cancer cell line",TRUE,"ACH-000532",NA,NA,NA,NA
+"1838","SNU-620","Esophagus/Stomach",NA,"SNU-620",NA,NA,"SNU-620",NA,NA,NA,"SNU-620","SNU-620",NA,NA,"SNU620","SNU-620",NA,NA,NA,NA,"stomach",NA,NA,"Stomach",NA,NA,"stomach",NA,NA,NA,"stomach","stomach",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5079","SNU620_1474_2019",NA,"stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000325",NA,NA,NA,NA
+"1839","SNU-626","CNS/Brain",NA,"SNU-626",NA,NA,NA,NA,NA,NA,"SNU-626","SNU-626",NA,NA,"SNU626",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5080","SNU626_1475_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000370",NA,NA,NA,NA
+"1840","SNU-638","Esophagus/Stomach",NA,NA,NA,NA,"SNU-638",NA,NA,NA,NA,NA,NA,NA,NA,"SNU-638",NA,NA,NA,NA,NA,NA,NA,"Stomach",NA,NA,NA,NA,NA,NA,"stomach",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0102","SNU638_1476_2019",NA,"stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-001664",NA,NA,NA,NA
+"1841","SNU-668","Esophagus/Stomach",NA,"SNU-668",NA,NA,"SNU-668",NA,NA,NA,"SNU-668","SNU-668",NA,NA,"SNU668","SNU-668",NA,NA,"SNU668_STOMACH",NA,"stomach",NA,NA,"Stomach",NA,NA,"stomach",NA,NA,NA,"stomach","stomach",NA,NA,"SNU668","stomach",NA,NA,NA,"gastric","CVCL_5081","SNU668_1477_2019",NA,"stomach","Signet ring cell gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-000344",NA,NA,NA,NA
+"1842","SNU-685","Uterus",NA,"SNU-685",NA,NA,NA,NA,NA,NA,"SNU-685","SNU-685",NA,NA,"SNU685",NA,NA,NA,"SNU685_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,NA,"endometrium",NA,NA,"SNU685","endometrium",NA,NA,NA,"uterus","CVCL_5083","SNU685_1478_2019",NA,"endometrium","Uterine carcinosarcoma","Cancer cell line",NA,"ACH-000407",NA,NA,NA,NA
+"1843","SNU-719","Esophagus/Stomach",NA,"SNU-719",NA,NA,"SNU-719",NA,NA,NA,"SNU-719","SNU-719",NA,NA,"SNU719","SNU-719",NA,NA,"SNU719_STOMACH",NA,"stomach",NA,NA,"Stomach",NA,NA,"stomach",NA,NA,NA,"stomach","stomach",NA,NA,"SNU719","stomach",NA,NA,NA,"gastric","CVCL_5086","SNU719_1479_2019",NA,"stomach","Gastric tubular adenocarcinoma","Cancer cell line",NA,"ACH-000898",NA,NA,NA,NA
+"1844","SNU-738","CNS/Brain",NA,"SNU-738",NA,NA,NA,NA,NA,NA,"SNU-738","SNU-738",NA,NA,"SNU738",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5087","SNU738_1480_2019",NA,"central_nervous_system","Oligodendroglioma","Cancer cell line",NA,"ACH-000807",NA,NA,NA,NA
+"1845","SNU-761","Liver",NA,"SNU-761",NA,NA,NA,NA,NA,NA,"SNU-761","SNU-761",NA,NA,"SNU761",NA,NA,NA,"SNU761_LIVER",NA,"liver",NA,NA,NA,NA,NA,"liver",NA,NA,NA,NA,"liver",NA,NA,"SNU761","liver",NA,NA,NA,"liver","CVCL_5089","SNU761_1481_2019",NA,"liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000537",NA,NA,NA,NA
+"1846","SNU-8","Ovary/Fallopian Tube",NA,"SNU-8",NA,NA,NA,NA,NA,NA,"SNU-8","SNU-8",NA,NA,"SNU8",NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5096","SNU8_1482_2019",NA,"ovary","Ovarian serous cystadenocarcinoma","Cancer cell line",TRUE,"ACH-000460",NA,NA,NA,NA
+"1847","SNU-81","Bowel",NA,"SNU-81",NA,NA,NA,"SNU81","SNU-81","SNU-81","SNU-81","SNU-81","SNU-81",NA,"SNU81",NA,"SNU-81",NA,"SNU81_LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,"large_intestine","SNU81","large_intestine",NA,NA,NA,"colorectal","CVCL_5098","SNU81_1483_2019","SNU-81","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000991",NA,NA,NA,NA
+"1848","SNU-840","Ovary/Fallopian Tube",NA,"SNU-840",NA,NA,NA,"SNU840",NA,NA,"SNU-840","SNU-840",NA,NA,"SNU840",NA,NA,NA,"SNU840_OVARY",NA,"ovary",NA,NA,NA,"OVARY",NA,"ovary",NA,NA,NA,NA,"ovary",NA,NA,"SNU840","ovary",NA,NA,NA,"ovary","CVCL_5100","SNU840_1484_2019",NA,"ovary","Malignant ovarian Brenner tumor","Cancer cell line",NA,"ACH-000280",NA,NA,NA,NA
+"1849","SNU-869","Ampulla of Vater",NA,"SNU-869",NA,NA,NA,NA,NA,NA,"SNU-869","SNU-869",NA,NA,"SNU869",NA,NA,NA,"SNU869_BILIARY_TRACT",NA,"biliary_tract",NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,"pancreas","biliary_tract",NA,NA,"SNU869","biliary_tract",NA,NA,NA,"bile_duct","CVCL_5101","SNU869_1485_2019",NA,"pancreas","Ampulla of Vater adenocarcinoma","Cancer cell line",NA,"ACH-000182",NA,NA,NA,NA
+"1850","SNU-878","Liver",NA,"SNU-878",NA,NA,NA,NA,NA,NA,"SNU-878","SNU-878",NA,NA,"SNU878",NA,NA,NA,NA,NA,"liver",NA,NA,NA,NA,NA,"liver",NA,NA,NA,NA,"liver",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5102","SNU878_1486_2019",NA,"liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000686",NA,NA,NA,NA
+"1851","SNU-886","Liver",NA,"SNU-886",NA,NA,NA,NA,NA,NA,"SNU-886","SNU-886",NA,NA,"SNU886",NA,NA,NA,"SNU886_LIVER",NA,"liver",NA,NA,NA,NA,NA,"liver",NA,NA,NA,NA,"liver",NA,NA,"SNU886","liver",NA,NA,NA,"liver","CVCL_5103","SNU886_1487_2019",NA,"liver","Hepatocellular carcinoma","Cancer cell line",NA,"ACH-000316",NA,NA,NA,NA
+"1852","SNU-899","Head and Neck",NA,"SNU-899",NA,NA,NA,NA,NA,NA,"SNU-899","SNU-899",NA,NA,"SNU899","SNU-899",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive_tract","upper_aerodigestive_tract",NA,NA,"SNU899","upper_aerodigestive_tract",NA,NA,NA,NA,"CVCL_5105","SNU899_1488_2019",NA,"upper_aerodigestive_tract","Laryngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-000692",NA,NA,NA,NA
+"1853","SNU-C1","Bowel","SNU-C1","SNU-C1",NA,NA,"SNU-C1",NA,"SNU-C1","SNU-C1","SNU-C1","SNU-C1","SNU-C1",NA,"SNUC1","SNU-C1","SNU-C1",NA,NA,"large_intestine","large_intestine",NA,NA,"Colon",NA,"large_intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_1708","SNUC1_1489_2019","SNU-C1","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000722",NA,NA,NA,NA
+"1854","SNU-C2A","Bowel",NA,"SNU-C2A",NA,NA,NA,"SNUC2A",NA,NA,"SNU-C2A","SNU-C2A",NA,NA,"SNUC2A",NA,NA,NA,"SNUC2A_LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,NA,"SNUC2A","large_intestine",NA,NA,NA,"colorectal","CVCL_1709","SNUC2A_1490_2019",NA,"large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000967",NA,NA,NA,NA
+"1855","SNU-C2B","Bowel","SNU-C2B","SNU-C2B",NA,NA,NA,NA,"SNU-C2B","SNU-C2B",NA,NA,"SNU-C2B",NA,NA,NA,"SNU-C2B",NA,NA,"large_intestine",NA,NA,NA,NA,NA,"Intestine",NA,"digestive_system",NA,NA,"large_intestine",NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,"CVCL_1710","SNUC2B_1491_2019","SNU-C2B","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-001199",NA,NA,NA,NA
+"1856","SNU-C4","Bowel",NA,"SNU-C4",NA,NA,NA,"SNUC4",NA,NA,"SNU-C4","SNU-C4",NA,NA,"SNUC4",NA,NA,NA,"SNUC4_LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"large_intestine","large_intestine",NA,NA,"SNUC4","large_intestine",NA,NA,NA,"colorectal","CVCL_5111","SNUC4_1492_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000959",NA,NA,NA,NA
+"1857","SNU-C5","Bowel",NA,"SNU-C5",NA,NA,NA,"SNUC5","SNU-C5","SNU-C5","SNU-C5","SNU-C5","SNU-C5",NA,"SNUC5","SNU-C5","SNU-C5",NA,"SNUC5_LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"LARGE_INTESTINE","large_intestine","large_intestine",NA,NA,NA,NA,"large_intestine",NA,"large_intestine","SNUC5","large_intestine",NA,NA,NA,"colorectal","CVCL_5112","SNUC5_1493_2019","SNU-C5","large_intestine","Cecum adenocarcinoma","Cancer cell line",NA,"ACH-000970",NA,NA,NA,NA
+"1858","SR","Lymphoid","SR","SR-786","SR",NA,"SR///SR-786",NA,"SR","SR","SR-786","SR-786",NA,NA,"SR786","SR///SR-786","SR","SR///LE.SR",NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node///Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,"SR","blood","Leukemia",NA,"CVCL_1711","SR_1495_2019","SR","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000338",NA,NA,NA,NA
+"1859","SS-78",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SS-78",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Renal Cancer",NA,NA,"SS-7818602021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1860","SS1A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SS1A18612021_",NA,NA,NA,NA,NA,"ACH-002334",NA,NA,NA,NA
+"1861","SSP-25","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4902","SSP-2518622021_",NA,NA,NA,NA,NA,"ACH-001858",NA,NA,NA,NA
+"1862","ST486","Lymphoid","ST486","ST486","ST486",NA,NA,NA,"ST486","ST486","ST486","ST486","ST486",NA,"ST486",NA,"ST486",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1712","ST486_1497_2019","ST486","haematopoietic_and_lymphoid_tissue","Burkitt lymphoma","Cancer cell line",NA,"ACH-000567",NA,NA,NA,NA
+"1863","STM91-01","Kidney",NA,"STM9101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8000","STM91-0118642021_",NA,"soft_tissue",NA,"Cancer cell line",TRUE,"ACH-001200",NA,NA,NA,NA
+"1864","STS-0421","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,"STS-0421","STS-0421",NA,NA,"STS-0421",NA,NA,NA,"STS-0421",NA,NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,"CVCL_X508","STS0421_1498_2019","STS-0421","soft_tissue","Gastric adenocarcinoma","Cancer cell line",NA,"ACH-002306",NA,NA,NA,NA
+"1865","SU-DHL-1","Lymphoid","SU-DHL-1","SU-DHL-1",NA,NA,"SU-DHL-1",NA,"SU-DHL-1",NA,"SU-DHL-1","SU-DHL-1","SU-DHL-1",NA,"SUDHL1","SU-DHL-1","SU-DHL-1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0538","SUDHL1_1499_2019","SU-DHL-1","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000664",NA,NA,NA,NA
+"1866","SU-DHL-10","Lymphoid",NA,"SU-DHL-10","SUDHL10",NA,"SU-DHL-10",NA,"SU-DHL-10","SU-DHL-10","SU-DHL-10","SU-DHL-10","SU-DHL-10",NA,"SUDHL10","SU-DHL-10","SU-DHL-10",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Pleura",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lung","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1889","SUDHL10_1500_2019","SU-DHL-10","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000271",NA,NA,NA,NA
+"1867","SU-DHL-16","Lymphoid",NA,NA,"SUDHL16",NA,"SU-DHL-16",NA,"SU-DHL-16","SU-DHL-16",NA,NA,"SU-DHL-16",NA,NA,"SU-DHL-16","SU-DHL-16",NA,NA,NA,NA,"hematopoietic_and_lymphatic_system",NA,"Lymph Node",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1890","SUDHL16_1501_2019","SU-DHL-16","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-002307",NA,NA,NA,NA
+"1868","SU-DHL-4","Lymphoid",NA,"SU-DHL-4",NA,NA,"SU-DHL-4","SUDHL4","SU-DHL-4",NA,"SU-DHL-4","SU-DHL-4","SU-DHL-4",NA,"SUDHL4","SU-DHL-4","SU-DHL-4",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0539","SUDHL4_1502_2019","SU-DHL-4","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000365",NA,NA,NA,NA
+"1869","SU-DHL-5","Lymphoid",NA,"SU-DHL-5","SUDHL5",NA,"SU-DHL-5","SUDHL5","SU-DHL-5","SU-DHL-5","SU-DHL-5","SU-DHL-5","SU-DHL-5",NA,NA,"SU-DHL-5","SU-DHL-5",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1735","SUDHL5_1503_2019","SU-DHL-5","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000660",NA,NA,NA,NA
+"1870","SU-DHL-6","Lymphoid",NA,"SU-DHL-6","SUDHL6",NA,"SU-DHL-6",NA,"SU-DHL-6","SU-DHL-6","SU-DHL-6","SU-DHL-6","SU-DHL-6",NA,"SUDHL6","SU-DHL-6","SU-DHL-6",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2206","SUDHL6_1504_2019","SU-DHL-6","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000611",NA,NA,NA,NA
+"1871","SU-DHL-8","Lymphoid",NA,"SU-DHL-8",NA,NA,"SU-DHL-8",NA,"SU-DHL-8",NA,"SU-DHL-8","SU-DHL-8","SU-DHL-8",NA,"SUDHL8","SU-DHL-8","SU-DHL-8",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2207","SUDHL8_1505_2019","SU-DHL-8","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000656",NA,NA,NA,NA
+"1872","SU.86.86","Pancreas",NA,"SU.86.86",NA,NA,"SU.86.86",NA,"SU8686",NA,"SU.86.86","SU.86.86","SU8686",NA,"SU8686","SU.86.86","SU8686",NA,NA,NA,"pancreas",NA,NA,"Pancreas",NA,"pancreas","pancreas",NA,NA,NA,NA,"pancreas","Pancreas","pancreas","SU8686","pancreas",NA,NA,NA,NA,"CVCL_3881","SU.86.86_1506_2019","SU8686","pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000114",NA,NA,NA,NA
+"1873","SUIT-2","Pancreas",NA,"SUIT-2",NA,NA,"SUIT-2","SUIT2","SUIT-2","SUIT-2","SUIT-2","SUIT-2","SUIT-2",NA,"SUIT2","SUIT-2","SUIT-2",NA,"SUIT2_PANCREAS",NA,"pancreas",NA,NA,"Pancreas","PANCREAS","Pancreas","pancreas",NA,NA,NA,"pancreas","pancreas","Pancreas","pancreas",NA,NA,NA,NA,NA,"pancreas","CVCL_3172","SUIT2_1507_2019","SUIT-2","pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",TRUE,"ACH-000652",NA,NA,NA,NA
+"1874","SUM102PT","Breast",NA,NA,NA,"SUM102PT",NA,NA,NA,NA,NA,NA,NA,"sum102",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3421","SUM102PT_1514_2019",NA,"breast","Breast carcinoma","Cancer cell line",NA,"ACH-001388",NA,NA,NA,NA
+"1875","SUM1315MO2","Breast",NA,NA,NA,"SUM1315MO2","SUM 1315M02",NA,NA,NA,NA,NA,NA,"sum1315",NA,"SUM 1315M02",NA,NA,NA,NA,NA,NA,"breast","Breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5589","SUM1315M02_1508_2019",NA,"breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-001389",NA,NA,NA,NA
+"1876","SUM149PT","Breast",NA,NA,NA,"SUM149PT","SUM 149PT",NA,NA,NA,NA,NA,NA,"sum149pt///sum149",NA,"SUM 149PT",NA,NA,NA,NA,NA,NA,"breast","Breast",NA,NA,NA,NA,"SUM149PT","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3422","SUM149PT_1509_2019",NA,"breast","Inflammatory breast carcinoma","Cancer cell line",TRUE,"ACH-001390",NA,NA,NA,NA
+"1877","SUM159PT","Breast",NA,NA,NA,"SUM159PT","SUM 159PT",NA,NA,NA,NA,NA,NA,"sum159pt///sum159",NA,"SUM 159PT",NA,NA,NA,NA,NA,NA,"breast","Breast",NA,NA,NA,NA,"SUM159PT///SUM159 PT","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5423","SUM159PT_1510_2019",NA,"breast","Pleomorphic breast carcinoma","Cancer cell line",NA,"ACH-001391",NA,NA,NA,NA
+"1878","SUM185PE","Breast",NA,NA,NA,"SUM185PE",NA,NA,NA,NA,NA,NA,NA,"sum185",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5591","SUM185PE_1515_2019",NA,"breast","Ductal breast carcinoma","Cancer cell line",TRUE,"ACH-001392",NA,NA,NA,NA
+"1879","SUM190PT","Breast",NA,NA,NA,"SUM190PT",NA,NA,NA,NA,NA,NA,NA,"sum190",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3423","SUM190_1511_2019",NA,"breast","Inflammatory breast carcinoma","Cancer cell line",NA,"ACH-001393",NA,NA,NA,NA
+"1880","SUM225CWN","Breast",NA,NA,NA,"SUM225CWN",NA,NA,NA,NA,NA,NA,NA,"sum225",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5593","SUM225CWN_1516_2019",NA,"breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-001397",NA,NA,NA,NA
+"1881","SUM229PE","Breast",NA,NA,NA,"SUM229PE","SUM 229PE",NA,NA,NA,NA,NA,NA,"sum229",NA,"SUM 229PE",NA,NA,NA,NA,NA,NA,"breast","Breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5594","SUM229PE_1512_2019",NA,"breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001394",NA,NA,NA,NA
+"1882","SUM44PE","Breast",NA,NA,NA,"SUM44PE",NA,NA,NA,NA,NA,NA,NA,"sum44",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"breast","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3424","SUM44PE_1517_2019",NA,"breast","Invasive lobular breast carcinoma","Cancer cell line",TRUE,"ACH-001395",NA,NA,NA,NA
+"1883","SUM52PE","Breast",NA,NA,NA,"SUM52PE","SUM 52PE",NA,NA,NA,NA,NA,NA,"sum52",NA,"SUM 52PE",NA,NA,NA,NA,NA,NA,"breast","Breast",NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3425","SUM52PE_1513_2019",NA,"breast","Breast carcinoma","Cancer cell line",TRUE,"ACH-001396",NA,NA,NA,NA
+"1884","SUP-B15","Lymphoid",NA,"SUP-B15",NA,NA,"SUP-B15",NA,"SUP-B15",NA,"SUP-B15","SUP-B15","SUP-B15",NA,"SUPB15","SUP-B15","SUP-B15",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0103","SUPB15_1518_2019","SUP-B15","haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000059",NA,NA,NA,NA
+"1885","SUP-B8","Lymphoid","SUP-B8",NA,NA,NA,NA,NA,"SUP-B8","SUP-B8",NA,NA,"SUP-B8",NA,NA,NA,"SUP-B8",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1713","SUPB8_1519_2019","SUP-B8","haematopoietic_and_lymphoid_tissue","B acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-002308",NA,NA,NA,NA
+"1886","SUP-HD1","Lymphoid",NA,"SUP-HD1",NA,NA,NA,NA,"SUP-HD1","SUP-HD1","SUP-HD1",NA,"SUP-HD1",NA,"SUPHD1",NA,"SUP-HD1",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2208","SUPHD1_1520_2019","SUP-HD1","haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-001203",NA,NA,NA,NA
+"1887","SUP-M2","Lymphoid",NA,"SUP-M2",NA,NA,NA,NA,"SUP-M2",NA,"SUP-M2","SUP-M2","SUP-M2",NA,"SUPM2",NA,"SUP-M2",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2209","SUPM2_1521_2019","SUP-M2","haematopoietic_and_lymphoid_tissue","Anaplastic large cell lymphoma","Cancer cell line",NA,"ACH-000226",NA,NA,NA,NA
+"1888","SUP-T1","Lymphoid","SUP-T1","SUP-T1",NA,NA,NA,NA,"SUP-T1",NA,"SUP-T1","SUP-T1","SUP-T1",NA,"SUPT1",NA,"SUP-T1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1714","SUPT1_1522_2019","SUP-T1","haematopoietic_and_lymphoid_tissue","Childhood T lymphoblastic lymphoma","Cancer cell line",NA,"ACH-000953",NA,NA,NA,NA
+"1889","SUP-T11","Lymphoid",NA,"SUP-T11",NA,NA,NA,NA,NA,NA,"SUP-T11","SUP-T11",NA,NA,"SUPT11",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2210","SUPT11_1523_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000122",NA,NA,NA,NA
+"1890","SW1088","CNS/Brain","SW1088","SW 1088","SW1088",NA,NA,NA,"SW1088","SW1088","SW_1088","SW_1088","SW1088",NA,"SW1088",NA,"SW1088","SW 1088","SW1088_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","central_nervous_system",NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","SW1088","central_nervous_system",NA,NA,"CNS Cancer","central_nervous_system","CVCL_1715","SW1088_1527_2019","SW1088","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000437",NA,NA,NA,NA
+"1891","SW1116","Bowel","SW1116","SW1116","SW1116",NA,"SW 1116",NA,"SW1116","SW1116","SW1116","SW1116","SW1116",NA,"SW1116","SW 1116","SW1116",NA,NA,"large_intestine","large_intestine","colon",NA,"Colon",NA,"Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine",NA,"large_intestine","SW1116","large_intestine",NA,NA,NA,NA,"CVCL_0544","SW1116_1528_2019","SW1116","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000489",NA,NA,NA,NA
+"1892","SW1271","Lung",NA,"SW 1271",NA,NA,NA,NA,"SW1271",NA,"SW_1271","SW_1271","SW1271",NA,"SW1271",NA,"SW1271",NA,"SW1271_LUNG",NA,"lung",NA,NA,NA,NA,"lung","lung",NA,NA,NA,NA,"lung",NA,"lung","SW1271","lung",NA,NA,NA,"lung","CVCL_1716","SW1271_1524_2019","SW1271","lung","Small cell lung carcinoma","Cancer cell line",NA,"ACH-000890",NA,NA,NA,NA
+"1893","SW13","Adrenal Gland","SW13",NA,NA,NA,NA,NA,"SW13","SW13",NA,NA,"SW13",NA,NA,NA,"SW13",NA,NA,"adrenal_gland",NA,NA,NA,NA,NA,"Kidney",NA,"kidney",NA,NA,"adrenal_gland",NA,NA,"adrenal_gland",NA,NA,NA,NA,NA,NA,"CVCL_0542","SW13_1529_2019","SW13","adrenal_gland","Adrenal cortex carcinoma","Cancer cell line",NA,"ACH-001401",NA,NA,NA,NA
+"1894","SW1353","Bone",NA,"SW 1353","SW1353",NA,NA,NA,NA,NA,"SW_1353","SW_1353",NA,NA,"SW1353",NA,NA,NA,"SW1353_BONE",NA,"bone","bone",NA,NA,NA,NA,"bone",NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,"bone","CVCL_0543","SW1353_1525_2019",NA,"bone","Primary central chondrosarcoma","Cancer cell line",NA,"ACH-000418",NA,NA,NA,NA
+"1895","SW1417","Bowel","SW1417","SW1417","SW1417",NA,"SW 1417",NA,"SW1417",NA,"SW1417","SW1417","SW1417",NA,"SW1417","SW1417","SW1417",NA,NA,"large_intestine","large_intestine","colon",NA,"Colon",NA,"Intestin","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine",NA,"large_intestine","SW1417","large_intestine",NA,NA,NA,NA,"CVCL_1717","SW1417_1530_2019","SW1417","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000236",NA,NA,NA,NA
+"1896","SW1463","Bowel","SW1463","SW1463","SW1463",NA,"SW 1463",NA,"SW1463","SW1463","SW1463","SW1463","SW1463",NA,"SW1463","SW 1463","SW1463",NA,NA,"large_intestine","large_intestine","rectum",NA,"Colon",NA,"Intestine","large_intestine",NA,NA,NA,"large_intestine","large_intestine","Colon","large_intestine","SW1463","large_intestine",NA,NA,NA,NA,"CVCL_1718","SW1463_1531_2019","SW1463","large_intestine","Rectal adenocarcinoma","Cancer cell line",NA,"ACH-000470",NA,NA,NA,NA
+"1897","SW156","Kidney",NA,NA,NA,NA,NA,NA,"SW156","SW156",NA,NA,"SW156",NA,NA,NA,"SW156","SW-156",NA,NA,NA,NA,NA,NA,NA,"Kidney",NA,NA,NA,NA,"kidney",NA,NA,"kidney",NA,NA,NA,NA,"Renal Cancer",NA,"CVCL_1719","SW156_1532_2019","SW156","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-001398",NA,NA,NA,NA
+"1898","SW1573","Lung","SW1573","SW 1573","SW1573",NA,"SW 1573",NA,"SW1573","SW1573","SW_1573","SW_1573","SW1573",NA,"SW1573","SW 1573","SW1573","SW-1573","SW1573_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung","lung","Lung","lung","SW1573","lung",NA,NA,"Non-Small Cell Lung Cancer","lung","CVCL_1720","SW1573_1533_2019","SW1573","lung","Minimally invasive lung adenocarcinoma","Cancer cell line",NA,"ACH-000677",NA,NA,NA,NA
+"1899","SW1710","Bladder/Urinary Tract","SW1710","SW-1710",NA,NA,NA,NA,"SW1710","SW1710","SW-1710","SW-1710","SW1710",NA,"SW1710",NA,"SW1710",NA,"SW1710_URINARY_TRACT","urinary_tract","urinary_tract",NA,NA,NA,NA,"Bladder","urinary_tract",NA,NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","SW1710","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_1721","SW1710_1534_2019","SW1710","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000566",NA,NA,NA,NA
+"1900","SW1783","CNS/Brain","SW1783","SW 1783","SW1783",NA,NA,NA,"SW1783",NA,"SW_1783","SW_1783","SW1783",NA,"SW1783",NA,"SW1783","SW 1783",NA,"central_nervous_system","central_nervous_system","central_nervous_system",NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system",NA,NA,NA,NA,"CNS Cancer",NA,"CVCL_1722","SW1783_1535_2019","SW1783","central_nervous_system","Anaplastic astrocytoma","Cancer cell line",NA,"ACH-000883",NA,NA,NA,NA
+"1901","SW1990","Pancreas","SW1990","SW 1990","SW1990",NA,"SW 1990",NA,"SW1990",NA,"SW_1990","SW_1990","SW1990",NA,"SW1990","SW 1990","SW1990",NA,"SW1990_PANCREAS","pancreas","pancreas","pancreas",NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas","SW1990","pancreas",NA,NA,NA,"pancreas","CVCL_1723","SW1990_1536_2019","SW1990","pancreas","Pancreatic adenocarcinoma","Cancer cell line",NA,"ACH-000155",NA,NA,NA,NA
+"1902","SW403","Bowel","SW403","SW403","SW403",NA,"SW 403","SW403",NA,"SW403","SW403","SW403","SW403",NA,NA,"SW 403",NA,NA,NA,"large_intestine","large_intestine","colon",NA,"Colon","LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"large_intestine",NA,"Colon","large_intestine","SW403","large_intestine",NA,NA,NA,NA,"CVCL_0545","SW403_1537_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000820",NA,NA,NA,NA
+"1903","SW48","Bowel","SW48","SW48","SW48",NA,"SW 48","SW48","SW48","SW48","SW48","SW48","SW48",NA,"SW48","SW 48","SW48",NA,"SW48_LARGE_INTESTINE","large_intestine","large_intestine","colon",NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine",NA,NA,NA,"large_intestine","large_intestine","Colon","large_intestine","SW48","large_intestine",NA,NA,NA,"colorectal","CVCL_1724","SW48_1538_2019","SW48","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000958",NA,NA,NA,NA
+"1904","SW480","Bowel",NA,"SW480","SW480",NA,"SW 480","SW480",NA,NA,"SW480","SW480",NA,NA,NA,"SW 480",NA,NA,"SW480_LARGE_INTESTINE",NA,"large_intestine","colon",NA,"Colon","LARGE_INTESTINE",NA,"large_intestine",NA,NA,NA,"large_intestine",NA,"Colon",NA,"SW480","large_intestine",NA,NA,NA,"colorectal","CVCL_0546","SW480_1539_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000842",NA,NA,NA,NA
+"1905","SW527","Bowel",NA,NA,NA,NA,"SW 527",NA,NA,NA,NA,NA,NA,"sw527",NA,"SW 527",NA,NA,NA,NA,NA,NA,NA,"Breast",NA,NA,NA,NA,"SW527","breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3799","SW527_1526_2019",NA,"breast","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-001825",NA,NA,NA,NA
+"1906","SW579","Thyroid",NA,"SW579","SW579",NA,NA,NA,NA,NA,"SW579","SW579",NA,NA,"SW579",NA,NA,NA,"SW579_THYROID",NA,"thyroid","thyroid",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive_tract","thyroid",NA,NA,"SW579","thyroid",NA,NA,NA,"thyroid","CVCL_3603","SW579_1540_2019",NA,"upper_aerodigestive_tract","Thyroid gland squamous cell carcinoma","Cancer cell line",NA,"ACH-000163",NA,NA,NA,NA
+"1907","SW620","Bowel","SW620","SW620","SW620",NA,"SW 620","SW620","SW620","SW620","SW620","SW620","SW620",NA,"SW620","SW 620","SW620","SW-620///CO.SW.620","SW620_LARGE_INTESTINE","large_intestine","large_intestine","colon",NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine",NA,NA,NA,NA,"Colon Cancer///Colon","colorectal","CVCL_0547","SW620_1541_2019","SW620","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000651",NA,NA,NA,NA
+"1908","SW626","Bowel","SW626",NA,NA,NA,NA,NA,"SW626","SW626",NA,NA,"SW626",NA,NA,"SW 626","SW626",NA,NA,"ovary",NA,NA,NA,NA,NA,"ovary",NA,"urogenital_system",NA,NA,"ovary",NA,"Ovary","ovary",NA,NA,NA,NA,NA,NA,"CVCL_1725","SW626_1542_2019","SW626","ovary","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-001399",NA,NA,NA,NA
+"1909","SW684","Soft Tissue","SW684",NA,"SW684",NA,NA,NA,"SW684","SW684",NA,NA,"SW684",NA,NA,NA,"SW684",NA,NA,"soft_tissue",NA,"connective_tissue",NA,NA,NA,"Misc",NA,"soft_tissue",NA,NA,"soft_tissue",NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1726","SW684_1543_2019","SW684","soft_tissue","Fibrosarcoma","Cancer cell line",NA,"ACH-002309",NA,NA,NA,NA
+"1910","SW756","Cervix","SW756",NA,"SW756",NA,NA,NA,"SW756","SW756",NA,NA,"SW756",NA,NA,NA,"SW756",NA,NA,"cervix",NA,"cervix_uteri",NA,NA,NA,"cervix",NA,"urogenital_system",NA,NA,"cervix",NA,NA,"cervix",NA,NA,NA,NA,NA,NA,"CVCL_1727","SW756_1544_2019","SW756","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-001402",NA,NA,NA,NA
+"1911","SW780","Bladder/Urinary Tract","SW780","SW 780","SW780",NA,"SW 780",NA,"SW780","SW780","SW_780","SW_780","SW780",NA,NA,"SW 780","SW780",NA,"SW780_URINARY_TRACT","urinary_tract","urinary_tract","bladder",NA,"Urinary Bladder",NA,"Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract",NA,"Urinary","urinary_tract",NA,NA,NA,NA,NA,"urinary_tract","CVCL_1728","SW780_1545_2019","SW780","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000384",NA,NA,NA,NA
+"1912","SW837","Bowel","SW837","SW837","SW837",NA,"SW 837",NA,"SW837","SW837","SW837","SW837","SW837",NA,NA,"SW 837","SW837",NA,"SW837_LARGE_INTESTINE","large_intestine","large_intestine","colon",NA,"Rectum",NA,"Intestine","large_intestine","digestive_system",NA,NA,"large_intestine",NA,"Unclassified","large_intestine","SW837","large_intestine",NA,NA,NA,"colorectal","CVCL_1729","SW837_1546_2019","SW837","large_intestine","Rectal adenocarcinoma","Cancer cell line",NA,"ACH-000421",NA,NA,NA,NA
+"1913","SW872","Soft Tissue","SW872",NA,"SW872",NA,NA,NA,"SW872","SW872",NA,NA,"SW872",NA,NA,NA,"SW872",NA,NA,"soft_tissue",NA,"connective_tissue",NA,NA,NA,"Misc",NA,"soft_tissue",NA,NA,"soft_tissue",NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1730","SW872_1547_2019","SW872","soft_tissue","Liposarcoma","Cancer cell line",NA,"ACH-002310",NA,NA,NA,NA
+"1914","SW900","Lung","SW900","SW 900","SW900",NA,"SW 900",NA,"SW900",NA,"SW_900","SW_900","SW900",NA,NA,"SW 900","SW900",NA,"SW900_LUNG","lung","lung","lung",NA,"Lung",NA,"Lung:NSCLC","lung","lung",NA,NA,"lung",NA,NA,"lung",NA,NA,NA,NA,NA,"lung","CVCL_1731","SW900_1548_2019","SW900","lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000669",NA,NA,NA,NA
+"1915","SW948","Bowel","SW948","SW948","SW948",NA,"SW 948","SW948","SW948","SW948","SW948","SW948","SW948",NA,"SW948","SW 948","SW948",NA,"SW948_LARGE_INTESTINE","large_intestine","large_intestine","colon",NA,"Colon","LARGE_INTESTINE","Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","SW948","large_intestine",NA,NA,NA,"colorectal","CVCL_0632","SW948_1549_2019","SW948","large_intestine","Colon adenocarcinoma","Cancer cell line",NA,"ACH-000680",NA,NA,NA,NA
+"1916","SW954","Vulva/Vagina","SW954",NA,"SW954",NA,NA,NA,"SW954","SW954",NA,NA,"SW954",NA,NA,NA,"SW954",NA,NA,"vulva",NA,"vulva",NA,NA,NA,"Vulva",NA,"urogenital_system",NA,NA,"vulva",NA,NA,"vulva",NA,NA,NA,NA,NA,NA,"CVCL_1732","SW954_1550_2019","SW954","vulva","Vulvar squamous cell carcinoma","Cancer cell line",NA,"ACH-001400",NA,NA,NA,NA
+"1917","SW962","Vulva/Vagina","SW962",NA,"SW962",NA,NA,NA,"SW962","SW962",NA,NA,"SW962",NA,NA,NA,"SW962",NA,NA,"vulva",NA,"vulva",NA,NA,NA,"Vulva",NA,"urogenital_system",NA,NA,"vulva",NA,NA,"vulva",NA,NA,NA,NA,NA,NA,"CVCL_1733","SW962_1551_2019","SW962","vulva","Vulvar carcinoma","Cancer cell line",TRUE,"ACH-002200",NA,NA,NA,NA
+"1918","SW982","Soft Tissue","SW982",NA,"SW982",NA,"SW 982",NA,"SW982","SW982",NA,NA,"SW982",NA,"SW982","SW 982","SW982",NA,NA,"soft_tissue",NA,"synovial_membrane",NA,"Breast",NA,"Misc",NA,"soft_tissue",NA,NA,"soft_tissue",NA,"Breast","soft_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1734","SW982_1552_2019","SW982","soft_tissue","Biphasic synovial sarcoma","Cancer cell line",NA,"ACH-001274",NA,NA,NA,NA
+"1919","SYO-1","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SYO1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7146","SYO1_1553_2019",NA,NA,"Biphasic synovial sarcoma","Cancer cell line",NA,"ACH-001275",NA,NA,NA,NA
+"1920","SaOS-2","Bone","Saos-2","Saos-2","SAOS2",NA,NA,NA,"Saos-2",NA,"Saos-2","Saos-2","Saos-2",NA,"SAOS2",NA,"Saos-2",NA,NA,"bone","bone","sarcoma",NA,NA,NA,"Bone","bone","bone",NA,NA,"bone","bone",NA,"bone","SAOS2","bone",NA,NA,NA,NA,"CVCL_0548","Saos2_1343_2019","Saos-2","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000410",NA,NA,NA,NA
+"1921","Sarc9371","Bone",NA,NA,NA,NA,NA,NA,NA,"Sarc9371",NA,NA,"Sarc9371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_5G89","Sarc9371_1344_2019",NA,"bone","Osteosarcoma","Cancer cell line",NA,"ACH-002396",NA,NA,NA,NA
+"1922","Sc-1","Lymphoid",NA,NA,NA,NA,"SC-1",NA,"Sci-1","SC-1",NA,NA,NA,NA,NA,"SC-1","SC-1",NA,NA,NA,NA,NA,NA,"Lymph Node",NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1888","SC1_1350_2019","Sci-1","haematopoietic_and_lymphoid_tissue","Follicular lymphoma","Cancer cell line",NA,"ACH-002392",NA,NA,NA,NA
+"1923","Shmac 4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2722","Shmac 419242021_",NA,NA,NA,NA,NA,"ACH-001648",NA,NA,NA,NA
+"1924","Shmac 5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2723","Shmac 519252021_",NA,NA,NA,NA,NA,"ACH-001649",NA,NA,NA,NA
+"1925","SiHa","Cervix","SiHa","SIHA","SIHA",NA,"SiHa",NA,"SiHa","SiHa",NA,NA,"SiHa",NA,NA,"SiHa","SiHa",NA,NA,"cervix",NA,"cervix_uteri",NA,"Cervix",NA,"Cervix",NA,"urogenital_system",NA,NA,"cervix",NA,"Cervix","cervix",NA,NA,NA,NA,NA,NA,"CVCL_0032","SiHa_1377_2019","SiHa","cervix","Human papillomavirus-related cervical squamous cell carcinoma","Cancer cell line",NA,"ACH-000556",NA,NA,NA,NA
+"1926","SiMa","Peripheral Nervous System","SIMA","SIMA",NA,NA,NA,NA,"SIMA",NA,"SIMA","SIMA","SIMA",NA,"SIMA","SIMA","SIMA",NA,"SIMA_AUTONOMIC_GANGLIA","autonomic_ganglia","autonomic_ganglia",NA,NA,NA,NA,"Brain","autonomic_ganglia","nervous_system",NA,NA,"autonomic_ganglia","autonomic_ganglia","Brain","autonomic_ganglia",NA,NA,NA,NA,NA,"peripheral_nervous_system","CVCL_1695","SIMA_1378_2019","SIMA","autonomic_ganglia","Adrenal gland neuroblastoma","Cancer cell line",NA,"ACH-000099",NA,NA,NA,NA
+"1927","SiSo","Cervix",NA,NA,NA,NA,NA,NA,"SISO","SISO",NA,NA,"SISO",NA,NA,"SISO","SISO",NA,NA,NA,NA,NA,NA,NA,NA,"Cervix",NA,NA,NA,NA,"endometrium",NA,NA,"endometrium",NA,NA,NA,NA,NA,NA,"CVCL_2193","SISO_1379_2019","SISO","endometrium","Human papillomavirus-related endocervical adenocarcinoma","Cancer cell line",NA,"ACH-001650",NA,NA,NA,NA
+"1928","Sq-1","Lung",NA,"Sq-1",NA,NA,NA,"SQ1",NA,NA,"Sq-1","Sq-1",NA,NA,"SQ1",NA,NA,NA,"SQ1_LUNG",NA,"lung",NA,NA,NA,"LUNG",NA,"lung",NA,NA,NA,"lung","lung",NA,NA,NA,NA,NA,NA,NA,"lung","CVCL_4900","Sq1_1494_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-000553",NA,NA,NA,NA
+"1929","SuSa","Testis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_L280","SuSa19302021_",NA,NA,NA,NA,NA,"ACH-001668",NA,NA,NA,NA
+"1930","T-47D","Breast","T47D","T-47D","T47D","T47D","T-47D",NA,"T47D",NA,"T-47D","T-47D","T47D","t47d","T47D","T-47D","T47D","T-47D///BR.T.47D","T47D_BREAST","breast","breast","breast","breast","Breast",NA,"Breast","breast","breast","T47D","breast","breast","breast","Breast","breast","T47D","breast","T47D","breast","Breast Cancer///Breast","breast","CVCL_0553","T47D_1559_2019","T47D","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000147",NA,NA,NA,NA
+"1931","T.T","Esophagus/Stomach",NA,"T.T",NA,NA,NA,NA,"T-T",NA,"T.T","T.T","T-T",NA,NA,"T.T","T-T",NA,"TT_OESOPHAGUS",NA,"oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus",NA,NA,NA,NA,NA,NA,"oesophagus///esophagus","JCRB0262",NA,NA,NA,NA,"esophagus","CVCL_3174","T.T_1555_2019","T-T","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000561",NA,NA,NA,NA
+"1932","T1-73","Bone","TI-73","T1-73",NA,NA,NA,NA,NA,NA,"T1-73","T1-73",NA,NA,NA,NA,NA,NA,NA,"bone","bone",NA,NA,NA,NA,NA,"bone",NA,NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_3605","TI73_1594_2019",NA,"bone","Osteosarcoma","Cancer cell line",NA,"ACH-000529",NA,NA,NA,NA
+"1933","T24","Bladder/Urinary Tract","T-24","T24","T24",NA,NA,NA,"T-24",NA,"T24","T24","T-24///T24",NA,"T24",NA,"T-24",NA,"T24_URINARY_TRACT","urinary_tract","urinary_tract","bladder",NA,NA,NA,"Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","T24","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_0554","T24_1554_2019","T-24","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000018",NA,NA,NA,NA
+"1934","T3M-10","Lung",NA,"T3M-10",NA,NA,NA,"T3M10",NA,NA,"T3M-10","T3M-10",NA,NA,"T3M10",NA,NA,NA,"T3M10_LUNG",NA,"lung",NA,NA,NA,"LUNG",NA,"lung",NA,NA,NA,NA,"lung",NA,NA,"T3M10","lung",NA,NA,NA,"lung","CVCL_8067","T3M10_1556_2019",NA,"lung","Large cell lung carcinoma","Cancer cell line",TRUE,"ACH-000813",NA,NA,NA,NA
+"1935","T3M-4","Pancreas",NA,"T3M-4",NA,NA,NA,NA,NA,NA,"T3M-4","T3M-4",NA,NA,NA,NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,"pancreas",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4056","T3M4_1557_2019",NA,"pancreas","Pancreatic ductal adenocarcinoma","Cancer cell line",NA,"ACH-000085",NA,NA,NA,NA
+"1936","T3M-5","Thyroid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8064","T3M-519372021_",NA,NA,NA,NA,NA,"ACH-002042",NA,NA,NA,NA
+"1937","T47D ERE4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"T47D ERE4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Breast Cancer",NA,NA,"T47D ERE419382021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1938","T47D FOS1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"T47D FOS1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Breast Cancer",NA,NA,"T47D FOS119392021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1939","T47D NFkB15",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"T47D NFkB15",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Breast Cancer",NA,NA,"T47D NFkB1519402021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1940","T47D-KBluc","Breast",NA,NA,NA,"T47D_KBluc///T47DKBLUC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"T47D_KBluc_1560_2019",NA,"breast","Invasive ductal carcinoma, not otherwise specified",NA,NA,NA,NA,NA,NA,NA
+"1941","T84","Bowel","T84","T84","T84",NA,"T84",NA,"T84",NA,"T84","T84","T84",NA,"T84","T84","T84",NA,NA,"large_intestine","large_intestine","colon",NA,"Colon",NA,"Intestine","large_intestine","digestive_system",NA,NA,"large_intestine","large_intestine","Colon","large_intestine","T84","large_intestine",NA,NA,NA,NA,"CVCL_0555","T84_1561_2019","T84","large_intestine","Colon adenocarcinoma","Cancer cell line",TRUE,"ACH-000381",NA,NA,NA,NA
+"1942","T98G","CNS/Brain","T98G","T98G",NA,NA,"T98G",NA,"T98G",NA,"T98G","T98G","T98G",NA,"T98G","T98G","T98G",NA,"T98G_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,"Brain",NA,"Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","T98G","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_0556","T98G_1562_2019","T98G","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000571",NA,NA,NA,NA
+"1943","T98G/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"T98G/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,NA,"T98G/H.Fine19442021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1944","TALL-1 [Human adult T-ALL]","Lymphoid","TALL-1","TALL-1",NA,NA,NA,NA,NA,NA,"TALL-1","TALL-1","TALL-1",NA,"TALL1",NA,"TALL-1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1736","TALL1_1564_2019","TALL-1","haematopoietic_and_lymphoid_tissue","Adult T acute lymphoblastic leukemia","Cancer cell line",NA,"ACH-000197",NA,NA,NA,NA
+"1945","TASK1","CNS/Brain",NA,NA,NA,NA,NA,NA,"TASK1","TASK1",NA,NA,"TASK1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"other",NA,NA,NA,NA,NA,NA,NA,"other",NA,NA,NA,NA,NA,NA,"CVCL_3177","TASK1_1565_2019",NA,"other","Askin tumor","Cancer cell line",NA,"ACH-001670",NA,NA,NA,NA
+"1946","TC-106","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_F531","TC-10619472021_",NA,NA,NA,NA,NA,"ACH-001283",NA,NA,NA,NA
+"1947","TC-138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4Z30","TC-13819482021_",NA,NA,NA,NA,NA,"ACH-001430",NA,NA,NA,NA
+"1948","TC-205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4Z31","TC-20519492021_",NA,NA,NA,NA,NA,"ACH-001431",NA,NA,NA,NA
+"1949","TC-32","Other",NA,"TC-32",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_7151","TC32_1566_2019",NA,"bone","Primitive neuroectodermal tumor","Cancer cell line",NA,"ACH-001205",NA,NA,NA,NA
+"1950","TC-71","Bone",NA,"TC-71",NA,NA,"TC-71",NA,"TC-71",NA,"TC-71","TC-71","TC-71",NA,"TC71","TC-71","TC-71",NA,NA,NA,"bone",NA,NA,"Bone",NA,"bone","bone",NA,NA,NA,"bone","bone","Bone","bone",NA,NA,NA,NA,NA,NA,"CVCL_2213","TC71_1567_2019","TC-71","bone","Ewing sarcoma","Cancer cell line",NA,"ACH-000424",NA,NA,NA,NA
+"1951","TC-YIK","Cervix","TC-YIK",NA,NA,NA,NA,NA,"TC-YIK","TC-YIK",NA,NA,"TC-YIK",NA,NA,NA,"TC-YIK",NA,NA,"cervix",NA,NA,NA,NA,NA,"Cervix",NA,"urogenital_system",NA,NA,"cervix",NA,NA,"cervix",NA,NA,NA,NA,NA,NA,"CVCL_1737","TCYIK_1568_2019","TC-YIK","cervix","Cervical small cell carcinoma","Cancer cell line",NA,"ACH-002201",NA,NA,NA,NA
+"1952","TCC-PAN2","Pancreas",NA,"TCC-PAN2",NA,NA,"TCC-PAN2",NA,NA,NA,"TCC-PAN2","TCC-PAN2",NA,NA,"TCCPAN2","TCC-PAN2",NA,NA,"TCCPAN2_PANCREAS",NA,"pancreas",NA,NA,"Pancreas",NA,NA,"pancreas",NA,NA,NA,NA,"pancreas",NA,NA,"TCCPAN2","pancreas",NA,NA,NA,"pancreas","CVCL_3178","TCCPAN2_1569_2019",NA,"pancreas","Pancreatic adenocarcinoma","Cancer cell line",TRUE,"ACH-000502",NA,NA,NA,NA
+"1953","TCCSUP","Bladder/Urinary Tract","TCCSUP","TCCSUP",NA,NA,NA,NA,"TCCSUP",NA,"TCCSUP","TCCSUP","TCCSUP",NA,"TCCSUP",NA,"TCCSUP",NA,"TCCSUP_URINARY_TRACT","urinary_tract","urinary_tract",NA,NA,NA,NA,"Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","TCCSUP","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_1738","TCCSUP_1570_2019","TCCSUP","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000720",NA,NA,NA,NA
+"1954","TCO-1 [Human cervical carcinoma]","Cervix","TCO-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thyroid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thyroid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TCO-1 [Human cervical carcinoma]19552021_",NA,"thyroid","Cervical keratinizing squamous cell carcinoma",NA,NA,NA,NA,NA,NA,NA
+"1955","TE 125.T","Soft Tissue",NA,"TE 125.T",NA,NA,NA,NA,NA,NA,"TE_125.T","TE_125.T",NA,NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,"TE125T","soft_tissue",NA,NA,NA,NA,"CVCL_1740","TE125.T_1571_2019",NA,"soft_tissue","Rhabdomyosarcoma","Cancer cell line",NA,"ACH-000079",NA,NA,NA,NA
+"1956","TE 159.T","Soft Tissue",NA,"TE 159.T",NA,NA,NA,NA,NA,NA,"TE_159.T","TE_159.T",NA,NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1743","TE159.T_1572_2019",NA,"soft_tissue","Rhabdomyosarcoma","Cancer cell line",NA,"ACH-000175",NA,NA,NA,NA
+"1957","TE 161.T","Lymphoid","TE-161-T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TE 161.T19582021_",NA,"haematopoietic_and_lymphoid_tissue","Burkitt lymphoma",NA,NA,NA,NA,NA,NA,NA
+"1958","TE 381.T","Soft Tissue",NA,NA,"TE381T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sarcoma",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TE 381.T19592021_",NA,"sarcoma","Rhabdomyosarcoma",NA,NA,NA,NA,NA,NA,NA
+"1959","TE 441.T","Soft Tissue","TE-441-T","TE 441.T",NA,NA,NA,NA,"TE-441-T","TE-441-T","TE_441.T","TE_441.T","TE-441-T",NA,"TE441T",NA,"TE-441-T",NA,NA,"soft_tissue","soft_tissue",NA,NA,NA,NA,"soft_tissue","soft_tissue","soft_tissue",NA,NA,NA,"soft_tissue",NA,"soft_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1754","TE441.T_1573_2019","TE-441-T","soft_tissue","Rhabdomyosarcoma","Cancer cell line",NA,"ACH-000772",NA,NA,NA,NA
+"1960","TE 617.T","Soft Tissue",NA,"TE 617.T",NA,NA,NA,NA,NA,NA,"TE_617.T","TE_617.T",NA,NA,"TE617T",NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,"soft_tissue",NA,NA,"TE617T","soft_tissue",NA,NA,NA,NA,"CVCL_1755","TE617.T_1574_2019",NA,"soft_tissue","Rhabdomyosarcoma","Cancer cell line",NA,"ACH-000051",NA,NA,NA,NA
+"1961","TE-1","Esophagus/Stomach","TE-1","TE-1",NA,NA,NA,NA,"TE-1",NA,"TE-1","TE-1","TE-1",NA,"TE1",NA,"TE-1",NA,"TE1_OESOPHAGUS","oesophagus","oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus",NA,"oesophagus","TE1","oesophagus",NA,NA,NA,"esophagus","CVCL_1759","TE1_1575_2019","TE-1","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000647",NA,NA,NA,NA
+"1962","TE-10","Esophagus/Stomach","TE-10","TE-10",NA,NA,NA,NA,"TE-10","TE-10","TE-10","TE-10","TE-10",NA,"TE10",NA,"TE-10",NA,"TE10_OESOPHAGUS","oesophagus","oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus",NA,"oesophagus","TE10","oesophagus",NA,NA,NA,"esophagus","CVCL_1760","TE10_1576_2019","TE-10","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000318",NA,NA,NA,NA
+"1963","TE-11","Esophagus/Stomach","TE-11","TE-11",NA,NA,NA,NA,"TE-11",NA,"TE-11","TE-11","TE-11",NA,"TE11",NA,"TE-11",NA,"TE11_OESOPHAGUS","oesophagus","oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus",NA,"oesophagus","TE11","oesophagus",NA,NA,NA,"esophagus","CVCL_1761","TE11_1577_2019","TE-11","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000488",NA,NA,NA,NA
+"1964","TE-12","Esophagus/Stomach","TE-12",NA,NA,NA,NA,NA,"TE-12","TE-12",NA,NA,"TE-12",NA,NA,NA,"TE-12",NA,NA,"oesophagus",NA,NA,NA,NA,NA,"Esophagus",NA,"aero_digestive_tract",NA,NA,"oesophagus",NA,NA,"oesophagus",NA,NA,NA,NA,NA,NA,"CVCL_1762","TE12_1578_2019","TE-12","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-002311",NA,NA,NA,NA
+"1965","TE-14","Esophagus/Stomach",NA,"TE-14",NA,NA,NA,NA,NA,NA,"TE-14","TE-14",NA,NA,"TE14",NA,NA,NA,"TE14_OESOPHAGUS",NA,"oesophagus",NA,NA,NA,NA,NA,"oesophagus",NA,NA,NA,"oesophagus","oesophagus",NA,NA,"TE14","oesophagus",NA,NA,NA,"esophagus","CVCL_3336","TE14_1579_2019",NA,"oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000726",NA,NA,NA,NA
+"1966","TE-15","Esophagus/Stomach","TE-15","TE-15",NA,NA,NA,NA,"TE-15",NA,"TE-15","TE-15","TE-15",NA,"TE15",NA,"TE-15",NA,NA,"oesophagus","oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus",NA,"oesophagus","TE15","oesophagus",NA,NA,NA,NA,"CVCL_1763","TE15_1580_2019","TE-15","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000353",NA,NA,NA,NA
+"1967","TE-4","Esophagus/Stomach",NA,"TE-4",NA,NA,NA,NA,"TE-4","TE-4","TE-4","TE-4","TE-4",NA,"TE4",NA,"TE-4",NA,"TE4_OESOPHAGUS",NA,"oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus",NA,NA,NA,"oesophagus","oesophagus",NA,"oesophagus","TE4","oesophagus",NA,NA,NA,"esophagus","CVCL_3337","TE4_1581_2019","TE-4","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000917",NA,NA,NA,NA
+"1968","TE-5","Esophagus/Stomach","TE-5","TE-5",NA,NA,NA,NA,"TE-5",NA,"TE-5","TE-5","TE-5",NA,"TE5",NA,"TE-5",NA,"TE5_OESOPHAGUS","oesophagus","oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus",NA,"oesophagus",NA,NA,NA,NA,NA,"esophagus","CVCL_1764","TE5_1582_2019","TE-5","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000408",NA,NA,NA,NA
+"1969","TE-6","Esophagus/Stomach","TE-6","TE-6",NA,NA,NA,NA,"TE-6","TE-6","TE-6","TE-6","TE-6",NA,"TE6",NA,"TE-6",NA,"TE6_OESOPHAGUS","oesophagus","oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus",NA,"oesophagus","TE6","oesophagus",NA,NA,NA,"esophagus","CVCL_1765","TE6_1583_2019","TE-6","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000605",NA,NA,NA,NA
+"1970","TE-8","Esophagus/Stomach","TE-8","TE-8",NA,NA,NA,NA,"TE-8","TE-8","TE-8","TE-8","TE-8",NA,"TE8",NA,"TE-8",NA,"TE8_OESOPHAGUS","oesophagus","oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus",NA,"oesophagus","TE8","oesophagus",NA,NA,NA,"esophagus","CVCL_1766","TE8_1584_2019","TE-8","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",NA,"ACH-000452",NA,NA,NA,NA
+"1971","TE-9","Esophagus/Stomach","TE-9","TE-9",NA,NA,NA,NA,"TE-9",NA,"TE-9","TE-9","TE-9",NA,"TE9",NA,"TE-9",NA,"TE9_OESOPHAGUS","oesophagus","oesophagus",NA,NA,NA,NA,"Esophagus","oesophagus","aero_digestive_tract",NA,NA,"oesophagus","oesophagus",NA,"oesophagus","TE9","oesophagus",NA,NA,NA,"esophagus","CVCL_1767","TE9_1585_2019","TE-9","oesophagus","Esophageal squamous cell carcinoma","Cancer cell line",TRUE,"ACH-000694",NA,NA,NA,NA
+"1972","TE85",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TE85",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bone/Muscle",NA,NA,"TE8519732021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1973","TEN","Uterus",NA,"TEN",NA,NA,NA,NA,NA,NA,"TEN","TEN",NA,NA,NA,NA,NA,NA,"TEN_ENDOMETRIUM",NA,"endometrium",NA,NA,NA,NA,NA,"endometrium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"uterus","CVCL_E063","TEN_1586_2019",NA,"endometrium","Endometrial carcinoma","Cancer cell line",NA,"ACH-000397",NA,NA,NA,NA
+"1974","TF-1","Myeloid",NA,"TF-1",NA,NA,NA,NA,NA,NA,"TF-1","TF-1",NA,NA,"TF1","TF-1",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0559","TF1_1588_2019",NA,"haematopoietic_and_lymphoid_tissue","Erythroleukemia","Cancer cell line",NA,"ACH-000387",NA,NA,NA,NA
+"1975","TFK-1","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2214","TFK-119762021_",NA,NA,NA,NA,NA,"ACH-001673",NA,NA,NA,NA
+"1976","TGBC11TKB","Esophagus/Stomach","TGBC11TKB","TGBC11TKB",NA,NA,NA,NA,"TGBC11TKB","TGBC11TKB","TGBC11TKB","TGBC11TKB","TGBC11TKB",NA,NA,NA,"TGBC11TKB",NA,NA,"stomach","stomach",NA,NA,NA,NA,"Stomach","stomach","digestive_system",NA,NA,"stomach",NA,NA,"stomach",NA,NA,NA,NA,NA,NA,"CVCL_1768","TGBC11TKB_1589_2019","TGBC11TKB","stomach","Gastric carcinoma","Cancer cell line",TRUE,"ACH-000949",NA,NA,NA,NA
+"1977","TGBC18TKB","Ampulla of Vater",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3338","TGBC18TKB19782021_",NA,NA,NA,NA,NA,"ACH-002023",NA,NA,NA,NA
+"1978","TGBC1TKB","Biliary Tract","TGBC1TKB",NA,NA,NA,NA,NA,"TGBC1TKB","TGBC1TKB",NA,NA,"TGBC1TKB",NA,NA,NA,"TGBC1TKB",NA,NA,"biliary_tract",NA,NA,NA,NA,NA,"biliary_tract",NA,"digestive_system",NA,NA,"biliary_tract",NA,NA,"biliary_tract",NA,NA,NA,NA,NA,NA,"CVCL_1769","TGBC1TKB_1590_2019","TGBC1TKB","biliary_tract","Undifferentiated gallbladder carcinoma","Cancer cell line",TRUE,"ACH-001861",NA,NA,NA,NA
+"1979","TGBC24TKB","Biliary Tract","TGBC24TKB",NA,NA,NA,NA,NA,"TGBC24TKB","TGBC24TKB",NA,NA,"TGBC24TKB",NA,NA,NA,"TGBC24TKB",NA,NA,"biliary_tract",NA,NA,NA,NA,NA,"Biliary",NA,"digestive_system",NA,NA,"biliary_tract",NA,NA,"biliary_tract",NA,NA,NA,NA,NA,NA,"CVCL_1770","TGBC24TKB_1591_2019","TGBC24TKB","biliary_tract","Gallbladder carcinoma","Cancer cell line",TRUE,"ACH-002312",NA,NA,NA,NA
+"1980","TGBC52TKB","Ampulla of Vater",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_H695","TGBC52TKB19812021_",NA,NA,NA,NA,NA,"ACH-001862",NA,NA,NA,NA
+"1981","TGW","Peripheral Nervous System","TGW",NA,NA,NA,NA,NA,"TGW","TGW",NA,NA,"TGW",NA,NA,NA,"TGW",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,"autonomic_ganglia",NA,"nervous_system",NA,NA,"autonomic_ganglia",NA,NA,"autonomic_ganglia",NA,NA,NA,NA,NA,NA,"CVCL_1771","TGW_1592_2019","TGW","autonomic_ganglia","Adrenal gland neuroblastoma","Cancer cell line",NA,"ACH-001674",NA,NA,NA,NA
+"1982","THP-1","Myeloid","THP-1","THP-1","THP1",NA,"THP-1","THP1","THP-1",NA,"THP-1","THP-1","THP-1",NA,"THP1","THP-1","THP-1",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"THP1","blood",NA,NA,"CVCL_0006","THP1_1593_2019","THP-1","haematopoietic_and_lymphoid_tissue","Childhood acute monocytic leukemia","Cancer cell line",NA,"ACH-000146",NA,NA,NA,NA
+"1983","TIG-3 TD","Other",NA,"TIG-3 TD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_V617","TIG3TD_1595_2019",NA,"lung",NA,"Telomerase immortalized cell line",NA,"ACH-001207",NA,NA,NA,NA
+"1984","TK [Human B-cell lymphoma]","Lymphoid",NA,NA,NA,NA,"TK",NA,"TK","TK",NA,NA,"TK",NA,NA,"TK","TK",NA,NA,NA,NA,NA,NA,"Blood",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3216","TK_1596_2019","TK","haematopoietic_and_lymphoid_tissue","B-cell non-Hodgkin lymphoma","Cancer cell line",NA,"ACH-002313",NA,NA,NA,NA
+"1985","TK-10","Kidney","TK10",NA,"TK10",NA,"TK-10",NA,"TK10","TK10",NA,NA,"TK10",NA,NA,"TK-10","TK10","TK-10///RE.TK.10",NA,"kidney",NA,"kidney",NA,"Kidney",NA,"kidney",NA,"kidney",NA,NA,"kidney",NA,"Kidney","kidney",NA,NA,NA,NA,"Renal Cancer///Renal",NA,"CVCL_1773","TK10_1597_2019","TK10","kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-001208",NA,NA,NA,NA
+"1986","TK-164","Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TK-164",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Renal Cancer",NA,"CVCL_8324","TK-16419872021_",NA,NA,"Clear Cell Renal Cell Carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1987","TKKK","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5599","TKKK19882021_",NA,NA,NA,NA,NA,"ACH-001863",NA,NA,NA,NA
+"1988","TM-31","CNS/Brain",NA,"TM-31",NA,NA,NA,NA,NA,NA,"TM-31","TM-31",NA,NA,"TM31",NA,NA,NA,"TM31_CENTRAL_NERVOUS_SYSTEM",NA,"central_nervous_system",NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,"central_nervous_system",NA,NA,"TM31","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_6735","TM31_1598_2019",NA,"central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000592",NA,NA,NA,NA
+"1989","TMD8","Lymphoid",NA,NA,NA,NA,"TMD8",NA,NA,NA,NA,NA,NA,NA,NA,"TMD8",NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A442","TMD8_1600_2019",NA,"haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma activated B-cell type","Cancer cell line",NA,NA,NA,NA,NA,NA
+"1990","TMK-1","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,NA,"TMK-1",NA,NA,"TMK-1",NA,NA,NA,"TMK-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stomach",NA,NA,"stomach",NA,NA,NA,NA,NA,NA,"CVCL_4384","TMK1_1601_2019","TMK-1","stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,"ACH-002202",NA,NA,NA,NA
+"1991","TO 175.T","Lymphoid",NA,"TO 175.T","TO175T",NA,NA,NA,NA,NA,"TO_175.T","TO_175.T",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3806","TO175.T_1602_2019",NA,"haematopoietic_and_lymphoid_tissue","Hodgkin lymphoma","Cancer cell line",NA,"ACH-000125",NA,NA,NA,NA
+"1992","TO14","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2734","TO1419932021_",NA,NA,NA,NA,NA,"ACH-001403",NA,NA,NA,NA
+"1993","TOV-112D","Ovary/Fallopian Tube",NA,"TOV-112D",NA,NA,"TOV-112D",NA,"TOV-112D",NA,"TOV-112D","TOV-112D","TOV-112D",NA,"TOV112D","TOV-112D","TOV-112D",NA,"TOV112D_OVARY",NA,"ovary",NA,NA,"Ovary",NA,"Ovary","ovary",NA,NA,NA,"ovary","ovary","Ovary","ovary","TOV112D","ovary",NA,NA,NA,"ovary","CVCL_3612","TOV112D_1604_2019","TOV-112D","ovary","Ovarian endometrioid adenocarcinoma","Cancer cell line",NA,"ACH-000048",NA,NA,NA,NA
+"1994","TOV-21G","Ovary/Fallopian Tube",NA,"TOV-21G",NA,NA,NA,NA,"TOV-21G",NA,"TOV-21G","TOV-21G","TOV-21G",NA,"TOV21G","TOV-21G","TOV-21G",NA,"TOV21G_OVARY",NA,"ovary",NA,NA,NA,NA,"Ovary","ovary",NA,NA,NA,"ovary","ovary","Ovary","ovary","TOV21G","ovary",NA,NA,NA,"ovary","CVCL_3613","TOV21G_1605_2019","TOV-21G","ovary","Ovarian clear cell adenocarcinoma","Cancer cell line",NA,"ACH-000885",NA,NA,NA,NA
+"1995","TSU-PRI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TSU-PRI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prostate Cancer",NA,NA,"TSU-PRI19962021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"1996","TT","Thyroid","TT","TT","TT",NA,NA,NA,"TT",NA,"TT","TT","TT",NA,"TTTHYROID",NA,"TT",NA,"TT_THYROID","thyroid","thyroid","thyroid_gland",NA,NA,NA,"thyroid","thyroid","thyroid",NA,NA,"thyroid","thyroid",NA,"thyroid",NA,NA,NA,NA,NA,"thyroid","CVCL_1774","TT_1606_2019","TT","thyroid","Hereditary thyroid gland medullary carcinoma","Cancer cell line",NA,"ACH-001321",NA,NA,NA,NA
+"1997","TT1TKB","Bowel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8764","TT1TKB19982021_",NA,NA,NA,NA,NA,"ACH-002025",NA,NA,NA,NA
+"1998","TT2609-C02","Thyroid",NA,"TT2609-C02",NA,NA,NA,NA,"TT2609-C02","TT2609-C02","TT2609-C02","TT2609-C02","TT2609-C02",NA,"TT2609C02",NA,"TT2609-C02",NA,"TT2609C02_THYROID",NA,"thyroid",NA,NA,NA,NA,"Thyroid","thyroid",NA,NA,NA,"thyroid","thyroid",NA,"thyroid","TT2609C02","thyroid",NA,NA,NA,"thyroid","CVCL_2218","TT2609C02_1607_2019","TT2609-C02","thyroid","Thyroid gland follicular carcinoma","Cancer cell line",NA,"ACH-000716",NA,NA,NA,NA
+"1999","TTC-1240","Kidney",NA,"TTC1240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8002","TTC-124020002021_",NA,"soft_tissue",NA,"Cancer cell line",TRUE,"ACH-001210",NA,NA,NA,NA
+"2000","TTC-442","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_B255","TTC-44220012021_",NA,NA,NA,NA,NA,"ACH-001750",NA,NA,NA,NA
+"2001","TTC-466","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A444","TTC-46620022021_",NA,NA,NA,NA,NA,"ACH-001206",NA,NA,NA,NA
+"2002","TTC-549","Other",NA,"TTC549",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8005","TTC-54920032021_",NA,"soft_tissue",NA,"Cancer cell line",NA,"ACH-001211",NA,NA,NA,NA
+"2003","TTC-642","Other",NA,"TTC642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"soft_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8006","TTC-64220042021_",NA,"soft_tissue",NA,"Cancer cell line",NA,"ACH-001212",NA,NA,NA,NA
+"2004","TTC-709","Other",NA,"TTC709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TTC709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8007","TTC709_1608_2019",NA,NA,"Extrarenal rhabdoid tumor","Cancer cell line",NA,"ACH-000597",NA,NA,NA,NA
+"2005","TUHR10TKB","Kidney",NA,"TUHR10TKB",NA,NA,NA,NA,NA,NA,"TUHR10TKB","TUHR10TKB",NA,NA,"TUHR10TKB",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,"kidney",NA,NA,"TUHR10TKB","kidney",NA,NA,NA,NA,"CVCL_5952","TUHR10TKB_1610_2019",NA,"kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000459",NA,NA,NA,NA
+"2006","TUHR14TKB","Kidney",NA,"TUHR14TKB",NA,NA,NA,NA,NA,NA,"TUHR14TKB","TUHR14TKB",NA,NA,"TUHR14TKB",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5953","TUHR14TKB_1611_2019",NA,"kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000317",NA,NA,NA,NA
+"2007","TUHR4TKB","Kidney",NA,"TUHR4TKB",NA,NA,NA,NA,NA,NA,"TUHR4TKB","TUHR4TKB",NA,NA,"TUHR4TKB",NA,NA,NA,"TUHR4TKB_KIDNEY",NA,"kidney",NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,"kidney","CVCL_5957","TUHR4TKB_1612_2019",NA,"kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000495",NA,NA,NA,NA
+"2008","TUR","Myeloid","TUR",NA,NA,NA,NA,NA,"TUR","TUR",NA,NA,"TUR",NA,NA,NA,"TUR",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1775","TUR_1613_2019","TUR","haematopoietic_and_lymphoid_tissue","Adult acute monocytic leukemia","Cancer cell line",NA,"ACH-002314",NA,NA,NA,NA
+"2009","TYK-nu","Ovary/Fallopian Tube","TYK-nu","TYK-nu",NA,NA,"TYK-nu","TYKNU","TYK-nu",NA,"TYK-nu","TYK-nu","TYK-nu",NA,"TYKNU","TYK-nu","TYK-nu",NA,NA,"ovary","ovary",NA,NA,"Ovary","OVARY","ovary","ovary","urogenital_system",NA,NA,"ovary","ovary","Ovary","ovary","TYKNU","ovary",NA,NA,NA,NA,"CVCL_1776","TYKnu_1614_2019","TYK-nu","ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,"ACH-000430",NA,NA,NA,NA
+"2010","TYK-nu.CP-r","Ovary/Fallopian Tube",NA,NA,NA,NA,"TYK-nu.CP-r",NA,NA,NA,NA,NA,NA,NA,NA,"TYK-nu.CP-r",NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3221","TYKnu.CPr_1615_2019",NA,"ovary","High grade ovarian serous adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2011","Takigawa","Esophagus/Stomach",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3176","Takigawa_1563_2019",NA,"stomach","Gastric adenocarcinoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"2012","Tanoue","Lymphoid",NA,NA,"TANOUE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hematopoietic_and_lymphatic_system",NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tanoue20132021_",NA,"haematopoietic_and_lymphoid_tissue","Childhood B acute lymphoblastic leukemia",NA,NA,NA,NA,NA,NA,NA
+"2013","Tera-1","Testis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2776","Tera1_1587_2019",NA,"testis","Embryonal carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2014","Tm87-16","Other",NA,"TM-87///TM-87;TM87",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TM87-16",NA,NA,NA,"TM87_SOFT_TISSUE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rhabdoid","CVCL_8001","TM8716_1599_2019",NA,NA,"Extrarenal rhabdoid tumor","Cancer cell line",TRUE,"ACH-000172",NA,NA,NA,NA
+"2015","Toledo","Lymphoid",NA,"Toledo","TOLEDO",NA,"Toledo",NA,NA,NA,"Toledo","Toledo",NA,NA,"TOLEDO","Toledo",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,"Lymph Node",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3611","Toledo_1603_2019",NA,"haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-000285",NA,NA,NA,NA
+"2016","U-118MG","CNS/Brain","U-118-MG","U-118 MG",NA,NA,NA,NA,"U-118-MG",NA,"U-118_MG","U-118_MG","U-118-MG",NA,"U118MG",NA,"U-118-MG",NA,"U118MG_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","U118MG","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_0633","U118MG_1616_2019","U-118-MG","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000040",NA,NA,NA,NA
+"2017","U-138MG","CNS/Brain",NA,"U-138 MG","U138MG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system","cns",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0020","U138MG_1617_2019",NA,"central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-001214",NA,NA,NA,NA
+"2018","U-178MG","CNS/Brain",NA,"U-178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_A758","U178_1618_2019",NA,"central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000208",NA,NA,NA,NA
+"2019","U-251/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"U-251/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,NA,"U-251/H.Fine20202021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2020","U-251MG","CNS/Brain","U251","U-251 MG","U251",NA,NA,NA,"U251","U251","U-251_MG","U-251_MG","U251",NA,"U251MG",NA,"U251","U251///CNS.U251","U251MG_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system","cns",NA,NA,NA,"Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","U251MG","central_nervous_system",NA,NA,"CNS Cancer///Central nervous system","central_nervous_system","CVCL_0021","U251_1628_2019","U251","central_nervous_system","Astrocytoma","Cancer cell line",NA,"ACH-000232",NA,NA,NA,NA
+"2021","U-2904","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_X504","U-290420222021_",NA,NA,NA,NA,NA,"ACH-001677",NA,NA,NA,NA
+"2022","U-2932","Lymphoid",NA,NA,NA,NA,"U-2932",NA,NA,NA,NA,NA,NA,NA,NA,"U-2932",NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1896","U2932_1621_2019",NA,"haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma activated B-cell type","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2023","U-343MGa","CNS/Brain",NA,"U343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"central_nervous_system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4773","U343_1631_2019",NA,"central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000036",NA,NA,NA,NA
+"2024","U-373/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"U-373/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,NA,"U-373/H.Fine20252021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2025","U-698-M","Lymphoid","U-698-M",NA,NA,NA,"U-698-M",NA,"U-698-M","U-698-M",NA,NA,"U-698-M",NA,NA,"U-698-M","U-698-M",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"Lymph Node",NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"Lymphoid","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0017","U698M_1622_2019","U-698-M","haematopoietic_and_lymphoid_tissue","Lymphoblastic lymphoma","Cancer cell line",NA,"ACH-001680",NA,NA,NA,NA
+"2026","U-87/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"U-87/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,NA,"U-87/H.Fine20272021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2027","U-87MG ATCC","CNS/Brain","U-87-MG","U-87 MG","U87MG",NA,NA,NA,"U-87-MG",NA,"U-87_MG","U-87_MG","U-87-MG",NA,"U87MG","U-87 MG","U-87-MG",NA,NA,"central_nervous_system","central_nervous_system","cns",NA,NA,NA,"Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system","Brain","central_nervous_system","U87MG","central_nervous_system",NA,NA,NA,NA,"CVCL_0022","U87MG_1623_2019","U-87-MG","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000075",NA,NA,NA,NA
+"2028","U-937","Myeloid",NA,"U-937",NA,NA,"U-937","U937",NA,NA,"U-937","U-937",NA,NA,"U937","U-937",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Blood","HEMATOPOIETIC_AND_LYMPHOID_TISSUE",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","Blood",NA,NA,NA,NA,NA,NA,NA,"CVCL_0007","U937_1624_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult acute monocytic leukemia","Cancer cell line",NA,"ACH-000406",NA,NA,NA,NA
+"2029","U-BLC1","Bladder/Urinary Tract",NA,"U-BLC1",NA,NA,NA,NA,NA,NA,"U-BLC1","U-BLC1",NA,NA,"UBLC1",NA,NA,NA,"UBLC1_URINARY_TRACT",NA,"urinary_tract",NA,NA,NA,NA,NA,"urinary_tract",NA,NA,NA,"urinary_tract","urinary_tract",NA,NA,"UBLC1","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_2738","UBLC1_1625_2019",NA,"urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000741",NA,NA,NA,NA
+"2030","U-CH1","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"U-CH1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_4988","UCH1_1626_2019",NA,NA,"Sacral chordoma","Cancer cell line",NA,"ACH-002335",NA,NA,NA,NA
+"2031","U-CH2","Bone",NA,NA,NA,NA,NA,NA,NA,"U-CH2",NA,NA,"U-CH2",NA,NA,NA,"U-CH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"placenta",NA,NA,NA,NA,NA,NA,"CVCL_4989","UCH2_1627_2019","U-CH2","placenta","Sacral chordoma","Cancer cell line",NA,"ACH-002204",NA,NA,NA,NA
+"2032","U-HO1","Lymphoid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2220","U-HO120332021_",NA,NA,NA,NA,NA,"ACH-001685",NA,NA,NA,NA
+"2033","U118/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"U118/H.Fine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,NA,"U118/H.Fine20342021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2034","U266B1","Lymphoid","U-266","U266B1","U266B1",NA,"U266B1",NA,"U-266","U-266","U266B1","U266B1","U-266",NA,"U266B1","U266B1","U-266",NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue","hematopoietic_and_lymphatic_system",NA,NA,NA,"Blood","haematopoietic_and_lymphoid_tissue","blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_0566","U266_1620_2019","U-266","haematopoietic_and_lymphoid_tissue","Plasma cell myeloma",NA,NA,"ACH-000626",NA,NA,NA,NA
+"2035","U2OS","Bone","U-2-OS","U-2 OS","U20S",NA,"U-2 OS","U2OS","U-2-OS",NA,"U-2_OS","U-2_OS","U-2-OS",NA,"U2OS","U-2 OS","U-2-OS",NA,"U2OS_BONE","bone","bone","sarcoma",NA,"Bone","BONE","bone","bone","bone",NA,NA,"bone","bone","Bone","bone","U2OS","bone",NA,NA,NA,"bone","CVCL_0042","U2OS_1619_2019","U-2-OS","bone","Osteosarcoma","Cancer cell line",NA,"ACH-000364",NA,NA,NA,NA
+"2036","UABLG22",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UABLG22",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Non-Small Cell Lung Cancer",NA,NA,"UABLG2220372021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2037","UABMEL3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UABMEL3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melanoma",NA,NA,"UABMEL320382021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2038","UACC-257","Skin","UACC-257","UACC-257","UACC257",NA,"UACC-257",NA,"UACC-257",NA,"UACC-257","UACC-257","UACC-257",NA,"UACC257","UACC-257","UACC-257","UACC-257///ME.UACC.257","UACC257_SKIN","haematopoietic_and_lymphoid_tissue","skin","skin",NA,"Skin",NA,"Skin","haematopoietic_and_lymphoid_tissue","skin",NA,NA,"haematopoietic_and_lymphoid_tissue","skin",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Melanoma","skin","CVCL_1779","UACC257_1632_2019","UACC-257","haematopoietic_and_lymphoid_tissue","Melanoma","Cancer cell line",NA,"ACH-000579","UACC257","Skin",NA,NA
+"2039","UACC-3199","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"uacc3199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4042","UACC3199_1633_2019",NA,"breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"2040","UACC-62","Skin","UACC-62","UACC-62","UACC62",NA,NA,NA,"UACC-62",NA,"UACC-62","UACC-62","UACC-62",NA,"UACC62","UACC-62","UACC-62","UACC-62///ME.UACC.62","UACC62_SKIN","haematopoietic_and_lymphoid_tissue","skin","skin",NA,NA,NA,"Skin","haematopoietic_and_lymphoid_tissue","skin",NA,NA,"haematopoietic_and_lymphoid_tissue","skin","Skin","haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,"Melanoma","skin","CVCL_1780","UACC62_1634_2019","UACC-62","haematopoietic_and_lymphoid_tissue","Melanoma","Cancer cell line",NA,"ACH-000425","UACC62","Skin",NA,NA
+"2041","UACC-812","Breast","UACC-812","UACC-812","UACC812","UACC812","UACC-812",NA,"UACC-812","UACC-812","UACC-812","UACC-812","UACC-812","uacc812","UACC812","UACC-812","UACC-812",NA,NA,"breast","breast","breast","breast","Breast",NA,"breast","breast","breast","UAC812///UACC812","breast","breast","breast",NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_1781","UACC812_1635_2019","UACC-812","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000568",NA,NA,NA,NA
+"2042","UACC-893","Breast","UACC-893","UACC-893","UACC893","UACC893","UACC-893",NA,"UACC-893",NA,"UACC-893","UACC-893","UACC-893","uacc893",NA,"UACC-893","UACC-893",NA,NA,"breast","breast","breast","breast","Breast",NA,"Breast","breast","breast","UACC893","breast","breast",NA,NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_1782","UACC893_1636_2019","UACC-893","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",NA,"ACH-000554",NA,NA,NA,NA
+"2043","UACC62SKINCJ1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UACC62SKINCJ120442021_",NA,NA,NA,NA,NA,"ACH-002004",NA,NA,NA,NA
+"2044","UCSD-242L","Skin",NA,NA,NA,NA,"UCSD-242l",NA,NA,NA,NA,NA,NA,NA,NA,"UCSD-242l",NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_M009","UCSD242l_1637_2019",NA,"skin","Melanoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2045","UD-SCC-2","Head and Neck",NA,NA,NA,NA,NA,NA,NA,"UDSCC2",NA,NA,"UDSCC2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_E325","UDSCC2_1638_2019",NA,"upper_aerodigestive_tract","Hypopharyngeal squamous cell carcinoma","Cancer cell line",NA,"ACH-002391",NA,NA,NA,NA
+"2046","UE6E7T-3","Other",NA,NA,NA,NA,NA,NA,"UE6E7T-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3237","UE6E7T3_1639_2019",NA,"haematopoietic_and_lymphoid_tissue",NA,"Transformed cell line",NA,NA,NA,NA,NA,NA
+"2047","UISO-BCA-1","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UISO-BCA-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Breast Cancer",NA,"CVCL_D249","UISO-BCA-120482021_",NA,NA,"Invasive breast carcinoma of no special type","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"2048","UISO-MCC-1","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_E996","UISOMCC1_1640_2019",NA,"skin","Merkel cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2049","UKE-1","Myeloid",NA,NA,NA,NA,"UKE-1",NA,NA,NA,NA,NA,NA,NA,NA,"UKE-1",NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0104","UKE1_1641_2019",NA,"haematopoietic_and_lymphoid_tissue","Essential thrombocythemia","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2050","UM-Chor1","Bone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1D68","UM-Chor120512021_",NA,NA,NA,NA,NA,"ACH-001957",NA,NA,NA,NA
+"2051","UM-RC-2","Kidney",NA,"UMRC2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2739","UMRC2_1645_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-001224",NA,NA,NA,NA
+"2052","UM-RC-3","Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2740","UM-RC-320532021_",NA,NA,NA,NA,NA,"ACH-001687",NA,NA,NA,NA
+"2053","UM-RC-6","Kidney",NA,"UMRC6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2741","UMRC6_1646_2019",NA,"kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-001225",NA,NA,NA,NA
+"2054","UM-RC-7","Kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2742","UM-RC-720552021_",NA,NA,NA,NA,NA,"ACH-001688",NA,NA,NA,NA
+"2055","UM-UC-1","Bladder/Urinary Tract",NA,"UM-UC-1",NA,NA,"UM-UC-1",NA,NA,NA,"UM-UC-1","UM-UC-1",NA,NA,"UMUC1","UM-UC-1",NA,NA,"UMUC1_URINARY_TRACT",NA,"urinary_tract",NA,NA,"Urinary Bladder",NA,NA,"urinary_tract",NA,NA,NA,"urinary_tract","urinary_tract",NA,NA,"UMUC1","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_2743","UMUC1_1642_2019",NA,"urinary_tract","Bladder carcinoma","Cancer cell line",TRUE,"ACH-000834",NA,NA,NA,NA
+"2056","UM-UC-10","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2744","UM-UC-1020572021_",NA,NA,NA,NA,NA,"ACH-001412",NA,NA,NA,NA
+"2057","UM-UC-11","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2745","UM-UC-1120582021_",NA,NA,NA,NA,NA,"ACH-001413",NA,NA,NA,NA
+"2058","UM-UC-13","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2746","UM-UC-1320592021_",NA,NA,NA,NA,NA,"ACH-001407",NA,NA,NA,NA
+"2059","UM-UC-14","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2747","UM-UC-1420602021_",NA,NA,NA,NA,NA,"ACH-001408",NA,NA,NA,NA
+"2060","UM-UC-16","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2748","UM-UC-1620612021_",NA,NA,NA,NA,NA,"ACH-001409",NA,NA,NA,NA
+"2061","UM-UC-3","Bladder/Urinary Tract","UM-UC-3","UM-UC-3","UMUC3",NA,"UM-UC-3","UMUC3","UM-UC-3",NA,"UM-UC-3","UM-UC-3","UM-UC-3",NA,"UMUC3","UM-UC-3","UM-UC-3",NA,NA,"urinary_tract","urinary_tract","bladder",NA,"Urinary Bladder","URINARY_TRACT","Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract","Urinary","urinary_tract","UMUC3","urinary_tract",NA,NA,NA,NA,"CVCL_1783","UMUC3_1643_2019","UM-UC-3","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000522",NA,NA,NA,NA
+"2062","UM-UC-4","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2749","UM-UC-420632021_",NA,NA,NA,NA,NA,"ACH-001410",NA,NA,NA,NA
+"2063","UM-UC-5","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2750","UM-UC-520642021_",NA,NA,NA,NA,NA,"ACH-001411",NA,NA,NA,NA
+"2064","UM-UC-6","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2751","UM-UC-620652021_",NA,NA,NA,NA,NA,"ACH-001414",NA,NA,NA,NA
+"2065","UM-UC-7","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2752","UM-UC-720662021_",NA,NA,NA,NA,NA,"ACH-001415",NA,NA,NA,NA
+"2066","UM-UC-9","Bladder/Urinary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2753","UM-UC-920672021_",NA,NA,NA,NA,NA,"ACH-001416",NA,NA,NA,NA
+"2067","UMC-11","Lung","UMC-11",NA,"UMC11",NA,"UMC-11",NA,"UMC-11","UMC-11",NA,NA,"UMC-11",NA,NA,"UMC-11","UMC-11",NA,NA,"lung",NA,"lung",NA,"Lung",NA,"Lung",NA,"lung",NA,NA,"lung",NA,"Lung","lung",NA,NA,NA,NA,NA,NA,"CVCL_1784","UMC11_1644_2019","UMC-11","lung","Lung carcinoid tumor","Cancer cell line",NA,"ACH-001417",NA,NA,NA,NA
+"2068","UO-31","Kidney","U031","UO-31","UO31",NA,NA,NA,"U031","U031","UO-31","UO-31","U031",NA,"UO31",NA,"U031","UO-31///RE.UO.31","UO31_KIDNEY","kidney",NA,"kidney",NA,NA,NA,"Kidney",NA,"kidney",NA,NA,NA,NA,NA,"kidney","UO31",NA,NA,NA,"Renal Cancer///Renal","kidney","CVCL_1911","UO31_1647_2019","U031","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000428",NA,NA,NA,NA
+"2069","UOK-57",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UOK-57",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Renal Cancer",NA,NA,"UOK-5720702021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2070","UOK101","Kidney",NA,"UOK101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,"kidney",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_B076","UOK101_1648_2019",NA,"kidney","Clear cell renal cell carcinoma","Cancer cell line",NA,"ACH-000262",NA,NA,NA,NA
+"2071","UPCI-SCC-090","Head and Neck",NA,NA,NA,NA,NA,NA,"SCC90","SCC90",NA,NA,"SCC90",NA,NA,NA,"SCC90",NA,NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,NA,"CVCL_1899","SCC90_1357_2019","SCC90","upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2072","UPCI-SCC-152","Head and Neck",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_C058","UPCI-SCC-15220732021_",NA,NA,NA,NA,NA,"ACH-001228",NA,NA,NA,NA
+"2073","UPCISCC026",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UPCISCC02620742021_",NA,NA,NA,NA,NA,"ACH-001690",NA,NA,NA,NA
+"2074","UPCISCC040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UPCISCC04020752021_",NA,NA,NA,NA,NA,"ACH-001692",NA,NA,NA,NA
+"2075","UPCISCC074",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UPCISCC07420762021_",NA,NA,NA,NA,NA,"ACH-001694",NA,NA,NA,NA
+"2076","UPCISCC090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UPCISCC09020772021_",NA,NA,NA,NA,NA,"ACH-001227",NA,NA,NA,NA
+"2077","UPCISCC116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UPCISCC11620782021_",NA,NA,NA,NA,NA,"ACH-001698",NA,NA,NA,NA
+"2078","UPCISCC131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UPCISCC13120792021_",NA,NA,NA,NA,NA,"ACH-001699",NA,NA,NA,NA
+"2079","UPCISCC154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UPCISCC15420802021_",NA,NA,NA,NA,NA,"ACH-001229",NA,NA,NA,NA
+"2080","UT-7","Myeloid",NA,"UT-7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2233","UT7_1649_2019",NA,"haematopoietic_and_lymphoid_tissue","Adult acute megakaryoblastic leukemia","Cancer cell line",NA,"ACH-001230",NA,NA,NA,NA
+"2081","UW228","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_8585","UW22820822021_",NA,NA,NA,NA,NA,"ACH-001232",NA,NA,NA,NA
+"2082","UWB1.289","Ovary/Fallopian Tube",NA,NA,NA,NA,NA,NA,"UWB1.289","UWB1-289",NA,NA,"UWB1.289",NA,NA,NA,"UWB1.289",NA,NA,NA,NA,NA,NA,NA,NA,"Ovary",NA,NA,NA,NA,NA,NA,NA,"ovary",NA,NA,NA,NA,NA,NA,"CVCL_B079","UWB1.289_1650_2019","UWB1.289","ovary","BRCA1 syndrome","Cancer cell line",NA,"ACH-001418",NA,NA,NA,NA
+"2083","VA-ES-BJ","Soft Tissue","VA-ES-BJ",NA,NA,NA,NA,NA,"VA-ES-BJ","VA-ES-BJ",NA,NA,"VA-ES-BJ",NA,NA,NA,"VA-ES-BJ",NA,NA,"bone",NA,NA,NA,NA,NA,"Misc",NA,"soft_tissue",NA,NA,"bone",NA,NA,"bone",NA,NA,NA,NA,NA,NA,"CVCL_1785","VAESBJ_1651_2019","VA-ES-BJ","bone","Epithelioid sarcoma","Cancer cell line",TRUE,"ACH-001702",NA,NA,NA,NA
+"2084","VAL","Lymphoid",NA,NA,NA,NA,NA,NA,"VAL","VAL",NA,NA,"VAL",NA,NA,NA,"VAL",NA,NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1819","VAL_1652_2019","VAL","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma","Cancer cell line",NA,"ACH-001703",NA,NA,NA,NA
+"2085","VCaP","Prostate",NA,"VCaP",NA,NA,NA,NA,"VCaP",NA,"VCaP","VCaP","VCaP",NA,"VCAP",NA,"VCaP",NA,NA,NA,"prostate",NA,NA,NA,NA,"Prostate","prostate",NA,NA,NA,"prostate","prostate",NA,"prostate","VCAP","prostate",NA,NA,NA,NA,"CVCL_2235","VCaP_1653_2019","VCaP","prostate","Prostate carcinoma","Cancer cell line",TRUE,"ACH-000115",NA,NA,NA,NA
+"2086","VDSO/CMV-8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VDSO/CMV-8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leukemia",NA,NA,"VDSO/CMV-820872021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2087","VDSO/CMV-9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VDSO/CMV-9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leukemia",NA,NA,"VDSO/CMV-920882021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2088","VDSO/E6-18",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VDSO/E6-18",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leukemia",NA,NA,"VDSO/E6-1820892021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2089","VDSO/E6-19",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VDSO/E6-19",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leukemia",NA,NA,"VDSO/E6-1920902021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2090","VDSO/P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VDSO/P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leukemia",NA,NA,"VDSO/P20912021_",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA
+"2091","VL51","Lymphoid",NA,NA,NA,NA,NA,NA,"SLVL","SLVL",NA,NA,"SLVL",NA,NA,NA,"SLVL",NA,NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_3169","SLVL_1427_2019","SLVL","haematopoietic_and_lymphoid_tissue","Splenic lymphoma with circulating villous lymphocytes","Cancer cell line",NA,"ACH-002062",NA,NA,NA,NA
+"2092","VM-CUB-1","Bladder/Urinary Tract","VM-CUB-1","VM-CUB1",NA,NA,NA,NA,"VM-CUB-1","VM-CUB-1","VM-CUB1","VM-CUB1","VM-CUB-1",NA,"VMCUB1",NA,"VM-CUB-1",NA,"VMCUB1_URINARY_TRACT","urinary_tract","urinary_tract",NA,NA,NA,NA,"Bladder","urinary_tract","urogenital_system",NA,NA,"urinary_tract","urinary_tract",NA,"urinary_tract","VMCUB1","urinary_tract",NA,NA,NA,"urinary_tract","CVCL_1786","VMCUB1_1654_2019","VM-CUB-1","urinary_tract","Bladder carcinoma","Cancer cell line",NA,"ACH-000545",NA,NA,NA,NA
+"2093","VMRC-LCD","Lung",NA,"VMRC-LCD",NA,NA,"VMRC-LCD","VMRCLCD","VMRC-LCD","VMRC-LCD",NA,NA,"VMRC-LCD",NA,"VMRCLCD","VMRC-LCD","VMRC-LCD",NA,NA,NA,"lung",NA,NA,"Lung","LUNG","Lung:NSCLC",NA,NA,NA,NA,"lung","lung","Lung","lung","VMRCLCD","lung",NA,NA,NA,NA,"CVCL_1787","VMRCLCD_1655_2019","VMRC-LCD","lung","Lung adenocarcinoma","Cancer cell line",NA,"ACH-001233",NA,NA,NA,NA
+"2094","VMRC-LCP","Lung",NA,"VMRC-LCP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1788","VMRCLCP_1656_2019",NA,"lung","Squamous cell lung carcinoma","Cancer cell line",NA,"ACH-001234",NA,NA,NA,NA
+"2095","VMRC-MELG","Skin","VMRC-MELG",NA,NA,NA,NA,NA,NA,"VMRC-MELG",NA,NA,"VMRC-MELG",NA,NA,NA,"VMRC-MELG",NA,NA,"skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_1789","VMRCMELG_1657_2019","VMRC-MELG","skin","Melanoma","Cancer cell line",NA,"ACH-001704",NA,NA,NA,NA
+"2096","VMRC-RCW","Kidney",NA,"VMRC-RCW",NA,NA,NA,"VMRCRCW",NA,NA,"VMRC-RCW","VMRC-RCW","VMRC-RCW",NA,"VMRCRCW","VMRC-RCW","VMRC-RCW",NA,"VMRCRCW_KIDNEY",NA,"kidney",NA,NA,NA,"KIDNEY",NA,"kidney",NA,NA,NA,"kidney","kidney","Kidney","kidney","VMRCRCW","kidney",NA,NA,NA,"kidney","CVCL_1790","VMRCRCW_1658_2019","VMRC-RCW","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000484",NA,NA,NA,NA
+"2097","VMRC-RCZ","Kidney","VMRC-RCZ","VMRC-RCZ",NA,NA,NA,NA,"VMRC-RCZ","VMRC-RCZ","VMRC-RCZ","VMRC-RCZ","VMRC-RCZ",NA,"VMRCRCZ",NA,"VMRC-RCZ",NA,"VMRCRCZ_KIDNEY","kidney","kidney",NA,NA,NA,NA,"kidney","kidney",NA,NA,NA,"kidney","kidney",NA,"kidney","VMRCRCZ","kidney",NA,NA,NA,"kidney","CVCL_1791","VMRCRCZ_1659_2019","VMRC-RCZ","kidney","Renal cell carcinoma","Cancer cell line",NA,"ACH-000171",NA,NA,NA,NA
+"2098","VP229","Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2754","VP22920992021_",NA,NA,NA,NA,NA,"ACH-001419",NA,NA,NA,NA
+"2099","WERI-Rb-1","Eye","WERI-Rb-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eye",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eye",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1792","WERI-Rb-121002021_",NA,"eye","Retinoblastoma",NA,NA,"ACH-001421",NA,NA,NA,NA
+"2100","WI-38","Lung",NA,NA,"WI38",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WI-38",NA,NA,NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fibroblast",NA,NA,"WI-3821012021_",NA,"lung",NA,NA,NA,NA,NA,NA,NA,NA
+"2101","WIL2 NS","Other",NA,NA,NA,NA,NA,NA,"WIL2-NS","WIL2-NS",NA,NA,"WIL2-NS",NA,NA,NA,"WIL2-NS",NA,NA,NA,NA,NA,NA,NA,NA,"Blood",NA,NA,NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_2761","WIL2NS_1661_2019","WIL2-NS","haematopoietic_and_lymphoid_tissue","Hereditary spherocytosis","Transformed cell line",NA,"ACH-002316",NA,NA,NA,NA
+"2102","WM115","Skin","WM-115","WM-115","WM115",NA,"WM-115",NA,"WM-115",NA,"WM-115","WM-115","WM-115",NA,"WM115","WM-115","WM-115",NA,NA,"skin","skin","skin",NA,"Skin",NA,"Skin","skin","skin",NA,NA,"skin","skin","Skin","skin","WM115","skin",NA,NA,NA,NA,"CVCL_0040","WM115_1662_2019","WM-115","skin","Melanoma","Cancer cell line",TRUE,"ACH-000304","WM115","Skin",NA,NA
+"2103","WM1158","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6785","WM1158_1667_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"2104","WM1552C","Skin",NA,NA,NA,NA,NA,NA,"WM1552C","WM1552C",NA,NA,"WM1552C",NA,NA,NA,"WM1552C",NA,NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_6472","WM1552C_1668_2019","WM1552C","skin","Cutaneous melanoma","Cancer cell line",NA,"ACH-002205",NA,NA,NA,NA
+"2105","WM1799","Skin",NA,"WM1799",NA,NA,NA,NA,NA,NA,"WM1799","WM1799",NA,NA,"WM1799",NA,NA,NA,"WM1799_SKIN",NA,"skin",NA,NA,NA,NA,NA,"skin",NA,NA,NA,NA,"skin",NA,NA,"WM1799","skin",NA,NA,NA,"skin","CVCL_A341","WM1799_1669_2019",NA,"skin","Melanoma","Cancer cell line",NA,"ACH-000661",NA,NA,NA,NA
+"2106","WM239A","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6795","WM239A_1670_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,NA,NA,NA,NA,NA
+"2107","WM266-4","Skin",NA,"WM-266-4",NA,NA,"WM-266-4",NA,"WM-266-4",NA,"WM-266-4","WM-266-4",NA,NA,"WM2664","WM-266-4",NA,NA,"WM2664_SKIN",NA,"skin",NA,NA,"Skin",NA,"Skin","skin",NA,NA,NA,"skin","skin","Skin","skin","WM2664","skin",NA,NA,NA,"skin","CVCL_2765","WM2664_1663_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,"ACH-001239",NA,NA,NA,NA
+"2108","WM278","Skin",NA,NA,NA,NA,NA,NA,"WM278","WM278",NA,NA,"WM278",NA,NA,NA,"WM278",NA,NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_6473","WM278_1671_2019","WM278","skin","Melanoma","Cancer cell line",NA,"ACH-002206",NA,NA,NA,NA
+"2109","WM3211","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6797","WM321121102021_",NA,NA,NA,NA,NA,"ACH-002508",NA,NA,NA,NA
+"2110","WM35","Skin",NA,NA,NA,NA,NA,NA,"WM35","WM35",NA,NA,"WM35",NA,NA,NA,"WM35",NA,NA,NA,NA,NA,NA,NA,NA,"Skin",NA,NA,NA,NA,"skin",NA,NA,"skin",NA,NA,NA,NA,NA,NA,"CVCL_0580","WM35_1672_2019","WM35","skin","Melanoma","Cancer cell line",NA,"ACH-002207",NA,NA,NA,NA
+"2111","WM4235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WM423521122021_",NA,NA,NA,NA,NA,"ACH-002509",NA,NA,NA,NA
+"2112","WM793","Skin",NA,"WM-793",NA,NA,NA,NA,"WM793B","WM793B","WM-793","WM-793","WM793B",NA,"WM793",NA,"WM793B",NA,"WM793_SKIN",NA,"skin",NA,NA,NA,NA,"Skin","skin",NA,NA,NA,"skin","skin",NA,"skin","WM793","skin",NA,NA,NA,"skin","CVCL_8787","WM793_1664_2019","WM793B","skin","Melanoma","Cancer cell line",NA,"ACH-000827",NA,NA,NA,NA
+"2113","WM88","Skin",NA,"WM-88",NA,NA,NA,NA,NA,NA,"WM-88","WM-88",NA,NA,"WM88",NA,NA,NA,"WM88_SKIN",NA,"skin",NA,NA,NA,NA,NA,"skin",NA,NA,NA,"skin","skin",NA,NA,"WM88","skin",NA,NA,NA,"skin","CVCL_6805","WM88_1665_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,"ACH-000899",NA,NA,NA,NA
+"2114","WM902B","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6807","WM902B_1674_2019",NA,"skin","Melanoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2115","WM983B","Skin",NA,"WM-983B",NA,NA,NA,NA,NA,NA,"WM983B","WM983B",NA,NA,"WM983B",NA,NA,NA,"WM983B_SKIN",NA,"skin",NA,NA,NA,NA,NA,"skin",NA,NA,NA,"skin","skin",NA,NA,"WM983B",NA,NA,NA,NA,"skin","CVCL_6809","WM983B_1666_2019",NA,"skin","Melanoma","Cancer cell line",TRUE,"ACH-000765",NA,NA,NA,NA
+"2116","WPE1-NA22",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3810","WPE1-NA2221172021_",NA,NA,NA,NA,NA,"ACH-001422",NA,NA,NA,NA
+"2117","WRO","Thyroid","RO82-W-1",NA,NA,NA,NA,NA,"RO82-W-1","RO82-W-1",NA,NA,"RO82-W-1",NA,NA,NA,"RO82-W-1",NA,NA,"thyroid",NA,NA,NA,NA,NA,"Thyroid",NA,"thyroid",NA,NA,"thyroid",NA,NA,"thyroid",NA,NA,NA,NA,NA,NA,"CVCL_0582","RO82W1_1322_2019","RO82-W-1","thyroid","Thyroid gland follicular carcinoma","Cancer cell line",NA,"ACH-001384",NA,NA,NA,NA
+"2118","WSU-DLCL2","Lymphoid",NA,"WSU-DLCL2",NA,NA,"WSU-DLCL2","WSUDLCL2","WSU-DLCL2","WSU-DLCL2","WSU-DLCL2","WSU-DLCL2","WSU-DLCL2",NA,"WSUDLCL2","WSU-DLCL2","WSU-DLCL2",NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"Lymph Node","HEMATOPOIETIC_AND_LYMPHOID_TISSUE","Blood","haematopoietic_and_lymphoid_tissue",NA,NA,NA,"haematopoietic_and_lymphoid_tissue","haematopoietic_and_lymphoid_tissue",NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1902","WSUDLCL2_1675_2019","WSU-DLCL2","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-000534",NA,NA,NA,NA
+"2119","WSU-FSCCL","Lymphoid",NA,NA,NA,NA,"WSU-FSCCL",NA,NA,NA,NA,NA,NA,NA,NA,"WSU-FSCCL",NA,NA,NA,NA,NA,NA,NA,"Lymph Node",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1903","WSUFSCCL_1676_2019",NA,"haematopoietic_and_lymphoid_tissue","Malignant non-Hodgkin lymphoma, cleaved cell","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2120","WSU-NHL","Lymphoid","WSU-NHL",NA,NA,NA,"WSU-NHL",NA,"WSU-NHL","WSU-NHL",NA,NA,"WSU-NHL",NA,NA,"WSU-NHL","WSU-NHL",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,"Blood",NA,"Blood",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1793","WSUNHL_1677_2019","WSU-NHL","haematopoietic_and_lymphoid_tissue","Diffuse large B-cell lymphoma germinal center B-cell type","Cancer cell line",NA,"ACH-001709",NA,NA,NA,NA
+"2121","WiDr","Bowel",NA,NA,"WIDR",NA,"WiDr",NA,NA,NA,NA,NA,NA,NA,NA,"WiDr",NA,"WIDR",NA,NA,NA,"colon",NA,"Colon",NA,NA,NA,NA,NA,NA,"large_intestine",NA,NA,NA,NA,NA,NA,NA,"Colon Cancer",NA,"CVCL_2760","WIDR_1660_2019",NA,"large_intestine","Colon adenocarcinoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2122","XF 498","CNS/Brain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XF 498",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNS Cancer",NA,"CVCL_8928","XF 49821232021_",NA,NA,"Glioblastoma","Cancer cell line",NA,NA,NA,NA,NA,NA
+"2123","Y-79","Eye",NA,NA,"Y79",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eye",NA,NA,NA,NA,NA,NA,NA,NA,"eye",NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_1893","Y-7921242021_",NA,"eye","Retinoblastoma",NA,NA,"ACH-001295",NA,NA,NA,NA
+"2124","YAPC","Pancreas","YAPC","YAPC","YAPC///YPAC",NA,"YAPC",NA,"YAPC","YAPC","YAPC","YAPC","YAPC",NA,"YAPC","YAPC","YAPC",NA,"YAPC_PANCREAS","pancreas","pancreas","pancreas",NA,"Pancreas",NA,"Pancreas","pancreas","pancreas",NA,NA,"pancreas","pancreas","Pancreas","pancreas",NA,NA,NA,NA,NA,"pancreas","CVCL_1794","YAPC_1679_2019","YAPC","pancreas","Pancreatic carcinoma","Cancer cell line",NA,"ACH-000332",NA,NA,NA,NA
+"2125","YD-10B","Head and Neck",NA,"YD-10B",NA,NA,NA,NA,NA,NA,"YD-10B","YD-10B",NA,NA,"YD10B",NA,NA,NA,"YD10B_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"YD10B","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_8929","YD10B_1680_2019",NA,"upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000723",NA,NA,NA,NA
+"2126","YD-15","Head and Neck",NA,"YD-15",NA,NA,NA,NA,NA,NA,"YD-15","YD-15",NA,NA,"YD15",NA,NA,NA,"YD15_SALIVARY_GLAND",NA,"salivary_gland",NA,NA,NA,NA,NA,"salivary_gland",NA,NA,NA,NA,"salivary_gland",NA,NA,"YD15","salivary_gland",NA,NA,NA,"upper_aerodigestive","CVCL_8930","YD15_1681_2019",NA,"salivary_gland","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000836",NA,NA,NA,NA
+"2127","YD-38","Head and Neck",NA,"YD-38",NA,NA,NA,NA,NA,NA,"YD-38","YD-38",NA,NA,"YD38",NA,NA,NA,"YD38_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"YD38","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_L083","YD38_1682_2019",NA,"upper_aerodigestive_tract","Gingival squamous cell carcinoma","Cancer cell line",NA,"ACH-000762",NA,NA,NA,NA
+"2128","YD-8","Head and Neck",NA,"YD-8",NA,NA,NA,NA,NA,NA,"YD-8","YD-8",NA,NA,"YD8",NA,NA,NA,"YD8_UPPER_AERODIGESTIVE_TRACT",NA,"upper_aerodigestive_tract",NA,NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,NA,NA,"upper_aerodigestive_tract",NA,NA,"YD8","upper_aerodigestive_tract",NA,NA,NA,"upper_aerodigestive","CVCL_L079","YD8_1683_2019",NA,"upper_aerodigestive_tract","Tongue squamous cell carcinoma","Cancer cell line",NA,"ACH-000630",NA,NA,NA,NA
+"2129","YH-13","CNS/Brain","YH-13","YH-13",NA,NA,NA,NA,"YH-13","YH-13","YH-13","YH-13","YH-13",NA,"YH13",NA,"YH-13",NA,"YH13_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"CNS","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","YH13","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1795","YH13_1684_2019","YH-13","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000469",NA,NA,NA,NA
+"2130","YKG-1","CNS/Brain","YKG-1","YKG1",NA,NA,NA,NA,"YKG-1",NA,"YKG1","YKG1","YKG-1",NA,"YKG1",NA,"YKG-1",NA,"YKG1_CENTRAL_NERVOUS_SYSTEM","central_nervous_system","central_nervous_system",NA,NA,NA,NA,"Brain","central_nervous_system","nervous_system",NA,NA,"central_nervous_system","central_nervous_system",NA,"central_nervous_system","YKG1","central_nervous_system",NA,NA,NA,"central_nervous_system","CVCL_1796","YKG1_1685_2019","YKG-1","central_nervous_system","Glioblastoma","Cancer cell line",NA,"ACH-000570",NA,NA,NA,NA
+"2131","YMB-1","Breast",NA,"YMB-1",NA,NA,"YMB-1",NA,NA,NA,NA,NA,NA,NA,NA,"YMB-1",NA,NA,NA,NA,"breast",NA,NA,"Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_2814","YMB1_1686_2019",NA,"breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-001249",NA,NA,NA,NA
+"2132","YMB-1-E","Breast",NA,NA,NA,NA,"YMB-1-E",NA,NA,NA,NA,NA,"YMB-1-E",NA,NA,"YMB-1-E","YMB-1-E",NA,NA,NA,NA,NA,NA,"Breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"CVCL_2815","YMB1E_1687_2019","YMB-1-E","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-002208",NA,NA,NA,NA
+"2133","YSCCC","Biliary Tract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_3629","YSCCC21342021_",NA,NA,NA,NA,NA,"ACH-001864",NA,NA,NA,NA
+"2134","YT","Lymphoid","YT",NA,NA,NA,NA,NA,"YT","YT",NA,NA,"YT",NA,NA,NA,"YT",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,"haematopoietic_and_lymphoid_tissue",NA,"blood",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,"haematopoietic_and_lymphoid_tissue",NA,NA,NA,NA,NA,NA,"CVCL_1797","YT_1688_2019","YT","haematopoietic_and_lymphoid_tissue","Natural killer cell lymphoblastic leukemia/lymphoma","Cancer cell line",NA,"ACH-002317",NA,NA,NA,NA
+"2135","Yamato-SS","Soft Tissue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YAMATO",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_6C44","YAMATO_1678_2019",NA,NA,"Biphasic synovial sarcoma","Cancer cell line",TRUE,"ACH-001277",NA,NA,NA,NA
+"2136","ZR-75-1","Breast",NA,"ZR-75-1","ZR751","ZR751","ZR-75-1",NA,NA,NA,"ZR-75-1","ZR-75-1",NA,"zr751","ZR751","ZR-75-1",NA,"ZR-75-1","ZR751_BREAST",NA,"breast","breast","breast","Breast",NA,NA,"breast",NA,"ZR75-1","breast","breast","breast",NA,NA,"ZR751","breast","ZR751","breast","Breast Cancer","breast","CVCL_0588","ZR751_1689_2019",NA,"breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000097",NA,NA,NA,NA
+"2137","ZR-75-30","Breast","ZR-75-30","ZR-75-30",NA,"ZR7530","ZR-75-30",NA,"ZR-75-30","ZR-75-30","ZR-75-30","ZR-75-30","ZR-75-30","zr7530","ZR7530","ZR-75-30","ZR-75-30","ZR-75-30",NA,"breast","breast",NA,"breast","Breast",NA,"Breast","breast","breast",NA,"breast","breast","breast",NA,"breast","ZR7530","breast",NA,NA,"Breast Cancer",NA,"CVCL_1661","ZR7530_1690_2019","ZR-75-30","breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-000828",NA,NA,NA,NA
+"2138","ZR-75-B","Breast",NA,NA,NA,"ZR75B",NA,NA,NA,NA,NA,NA,NA,"zr75b",NA,NA,NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,"breast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_5614","ZR75B_1691_2019",NA,"breast","Invasive ductal carcinoma, not otherwise specified","Cancer cell line",TRUE,"ACH-002331",NA,NA,NA,NA
+"2139","501-mel","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4633",NA,NA,NA,"Melanoma",NA,NA,NA,"501Mel","Skin",NA,NA
+"2140","WM3619","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_0B75",NA,NA,NA,"Melanoma",NA,NA,NA,"WM3619","Skin",NA,NA
+"2141","WM3526","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WM3526",NA,NA,NA
+"2142","WM1716","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WM1716",NA,NA,NA
+"2143","WM1745","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WM1745",NA,NA,NA
+"2144","CBRC014","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBRC014",NA,NA,NA
+"2145","CBRC017","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBRC017",NA,NA,NA
+"2146","CBRC016","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBRC016",NA,NA,NA
+"2147","CBRC013","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBRC013",NA,NA,NA
+"2148","CBRC008","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBRC008",NA,NA,NA
+"2149","CBRC034","Skin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBRC034",NA,NA,NA
+"2150","LNCaP-C4-2","Prostate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVCL_4782",NA,NA,NA,"Prostate Carcinoma",NA,NA,NA,NA,NA,"C4-2","Prostate"
diff --git a/drugs_with_ids.csv b/drugs_with_ids.csv
index 9795a31..933750f 100644
--- a/drugs_with_ids.csv
+++ b/drugs_with_ids.csv
@@ -1,57242 +1,57243 @@
-"unique.drugid","CGP.drugid","CCLE.drugid","GSK.drugid","GRAY.drugid","GNE.drugid","CTRP.drugid","CMAP.drugid","CTRPv2.drugid","gCSI.drugid","UHNBreast.drugid","MERCK.drugid","GDSC1000.drugid","NCIALM.drugid","YALE_TNBC.drugid","GDSC2019.drugid","FIMM.drugid","BeatAML.drugid","Tavor.drugid","GBM.drugid","NCI60.drugid","PRISM.drugid","smiles","inchikey","cid","FDA","PharmacoDB.uid","NSC_number","PharmacoDB.status"
-"Erlotinib","Erlotinib","Erlotinib","","Erlotinib","","","","erlotinib","erlotinib///Erlotinib","Erlotinib///erlotinib","Erlotinib","Erlotinib","","Erlotinib","Erlotinib","Erlotinib","Erlotinib","","","Erlotinib","erlotinib","COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl","GTTBEUCJPZQMDZ-UHFFFAOYSA-N","176871",TRUE,"PDBC00001","718781","Present"
-"Acadesine","AICAR","","","","","","","","","","","AICAR","","","AICA Ribonucleotide","","","","","Acadesine","","C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N","RTRQQBHATOEIAF-UUOKFMHZSA-N","17513",NA,"PDBC00002","105823","Present"
-"Camptothecin","Camptothecin","","","","","","camptothecin","","","","","Camptothecin","","","Camptothecin","","","","Camptothecine (S.+)","NSC95382///NSC610458///NSC610457///Camptothecin Derivative///CAMPTOTHECIN///Camptothecin","camptothecin","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O","VSJKWCGYPAHWDS-FQEVSTJZSA-N","24360",NA,"PDBC00003","95382///610458///610457///302991///94600///100880","Present"
-"Vincaleukoblastine","Vinblastine","","","","","","vinblastine","","Vinblastine","","Vinblastine","Vinblastine","","","Vinblastine","","","","Vinblastine Sulfate  ","Vinblastine","","CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O","KDQAABAKXDWYSZ-JKDPCDLQSA-N","241902",TRUE,"PDBC00004","49842","Present"
-"Cisplatin","Cisplatin","","","Cisplatin","","","","","Cisplatin","","","Cisplatin","","","Cisplatin","","","","","Cisplatin","cisplatin","[NH2-].[NH2-].Cl[Pt+2]Cl","DQLATGHUWYMOKM-UHFFFAOYSA-L","24191118",TRUE,"PDBC00005","119875","Present"
-"Cytarabine","Cytarabine","","","","","","","cytarabine hydrochloride","","","","Cytarabine","","","Cytarabine","Cytarabine","","Cytarabine","","Cytarabine","cytarabine","C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O.Cl","KCURWTAZOZXKSJ-UHFFFAOYSA-N","5351180",TRUE,"PDBC00006","756714///287459///63878","Present"
-"Docetaxel","Docetaxel","","","Docetaxel","","","","docetaxel","docetaxel///Docetaxel","","","Docetaxel","","Docetaxel","Docetaxel","","","","","Docetaxel","docetaxel","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O","ZDZOTLJHXYCWBA-VCVYQWHSSA-N","148124",TRUE,"PDBC00007","628503///759850","Present"
-"Methotrexate","Methotrexate","","","Methotrexate","","","methotrexate","methotrexate","Methotrexate","","Methotrexate","Methotrexate","","","Methotrexate","Methotrexate","","","","METHOTREXATE","methotrexate","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","FBOZXECLQNJBKD-ZDUSSCGKSA-N","126941",TRUE,"PDBC00008","740","Present"
-"Tretinoin","ATRA","","","","","ATRA","tretinoin","tretinoin","","","","ATRA","Tretinoin","","Tretinoin","Tretinoin","","Tretinoin","","","","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C","SHGAZHPCJJPHSC-YCNIQYBTSA-N","444795",NA,"PDBC00009","","Present"
-"Gefitinib","Gefitinib","","","Gefitinib///Iressa","","","gefitinib","gefitinib","Gefitinib","","","Gefitinib","","","Gefitinib","Gefitinib","Gefitinib","","Gefitinib","Gefitinib","gefitinib","COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4","XGALLCVXEZPNRQ-UHFFFAOYSA-N","123631",TRUE,"PDBC00010","759856///715055///800105","Present"
-"Navitoclax","ABT-263","","","","","navitoclax","","navitoclax","","","","Navitoclax","","ABT-263","Navitoclax","Navitoclax","","Navitoclax (ABT 263)","","Navitoclax","navitoclax","CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C","JLYAXFNOILIKPP-KXQOOQHDSA-N","24978538",NA,"PDBC00011","759659","Present"
-"Vorinostat","Vorinostat","","","Vorinostat///SAHA","","vorinostat","vorinostat","vorinostat","vorinostat///Vorinostat","","","Vorinostat","","Vorinostat","Vorinostat","Vorinostat","","","","Vorinostat","vorinostat","C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO","WAEXFXRVDQXREF-UHFFFAOYSA-N","5311",TRUE,"PDBC00012","759852///701852","Present"
-"Nilotinib","Nilotinib","Nilotinib","","Nilotinib","","","","nilotinib","Nilotinib","","","Nilotinib","","","Nilotinib","Nilotinib","Nilotinib","","Nilotinib  ","Nilotinib","nilotinib","CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5","HHZIURLSWUIHRB-UHFFFAOYSA-N","644241",TRUE,"PDBC00013","747599///800804","Present"
-"Refametinib","RDEA119","","","","","","","","","","","RDEA119","","","Refametinib","Refametinib","","","","Refametinib","refametinib","COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F","RDSACQWTXKSHJT-NSHDSACASA-N","44182295",NA,"PDBC00014","800864///765866","Present"
-"CI-1040","CI-1040","","","CI1040///PD184352","","","PHA-00816795","","","","","CI-1040","","","CI-1040","","CI-1040 (PD184352)","","","PD 184352","PD-184352","C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl","GFMMXOIFOQCCGU-UHFFFAOYSA-N","6918454",NA,"PDBC00015","765695","Present"
-"Temsirolimus","Temsirolimus","","temsirolimus","Temsirolimus///Torisel","","","","temsirolimus","","","","Temsirolimus","","Temsirolimus","Temsirolimus","Temsirolimus","","Temsirolimus (mTOR inhibitor)","","Temsirolimus","temsirolimus","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC","CBPNZQVSJQDFBE-FUXHJELOSA-N","6918289",TRUE,"PDBC00016","683864","Present"
-"Olaparib","AZD-2281","","","","","olaparib","","olaparib","","OLA///olaparib","","Olaparib","","","Olaparib","Olaparib","","","","Olaparib","olaparib","C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F","FDLYAMZZIXQODN-UHFFFAOYSA-N","23725625",NA,"PDBC00017","747856///753686","Present"
-"Veliparib dihydrochloride","ABT-888","","","","","veliparib","","veliparib","","","ABT-888","Veliparib","","ABT-888","Veliparib","","","","","Veliparib","","CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N","JNAHVYVRKWKWKQ-CYBMUJFWSA-N","11960529",NA,"PDBC00018","752840///737664","Present"
-"Bosutinib","Bosutinib","","","Bosutinib///SKI-606","","","","bosutinib","Bosutinib","","","Bosutinib","","Bosutinib","Bosutinib","Bosutinib","Bosutinib (SKI-606)","","","Bosutinib","bosutinib","CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC","UBPYILGKFZZVDX-UHFFFAOYSA-N","5328940",TRUE,"PDBC00019","765694///755389","Present"
-"Lenalidomide","Lenalidomide","","","","","lenalidomide","","","Lenalidomide","","","Lenalidomide","","","Lenalidomide","Lenalidomide","Lenalidomide","Lenalidomide","","Lenalidomide","lenalidomide","C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N","GOTYRUGSSMKFNF-UHFFFAOYSA-N","216326",TRUE,"PDBC00020","747972","Present"
-"Axitinib","Axitinib","","","","","","","axitinib","","","","Axitinib","","","Axitinib","Axitinib","Axitinib (AG-013736)","","Axitinib","Axitinib","axitinib","CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4","RITAVMQDGBJQJZ-FMIVXFBMSA-N","6450551",TRUE,"PDBC00021","799341///757441","Present"
-"AZD7762","AZD7762","","","","","","","AZD7762","AZD-7762","","","AZD7762","","AZD-7762","AZD7762","","","","","AZD-7762","AZD7762","C1CC(CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N","IAYGCINLNONXHY-LBPRGKRZSA-N","11152667",NA,"PDBC00022","799350///757148","Present"
-"GW 441756","GW 441756","","","","","","","","","","","GW 441756","","","GW441756","","","","","GW441756X","GW-441756","Cn1cc(C=C2C(=O)Nc3cccnc23)c4ccccc14","","9943465",NA,"PDBC00023","756236","Present"
-"Lestaurtinib","CEP-701","","","Lestaurtinib(CEP-701)///Lestaurtinib","","","","","","","","CEP-701","","","Lestaurtinib","Lestaurtinib","Lestaurtinib (CEP-701)","","","Lestaurtinib","lestaurtinib","","","126565",NA,"PDBC00024","772196///800782","Present"
-"SB 216763","SB 216763","","","","","","","","","","","SB 216763","","","SB216763","","","","","","","Cn1cc(C2=C(C(=O)NC2=O)c3ccc(Cl)cc3Cl)c4ccccc14","","176158",NA,"PDBC00025","","Present"
-"Tanespimycin","17-AAG","17-AAG","","17-AAG","","tanespimycin","tanespimycin","tanespimycin","17-AAG","","","17-AAG","","","Tanespimycin","Tanespimycin","17-AAG (Tanespimycin)","","","Tanespimycin","tanespimycin","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC","AYUNIORJHRXIBJ-TXHRRWQRSA-N","6505803",NA,"PDBC00026","330507","Present"
-"VX-702","VX-702","","","","","","","","","","","VX-702","","","VX-702","","","","","VX-702","VX-702","C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F","FYSRKRZDBHOFAY-UHFFFAOYSA-N","10341154",NA,"PDBC00027","775665","Present"
-"Motesanib","AMG-706","","","","","","","","","","","AMG-706","","","Motesanib","Motesanib","Motesanib (AMG-706)","","","Motesanib","motesanib","CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C","RAHBGWKEPAQNFF-UHFFFAOYSA-N","11667893",NA,"PDBC00028","760843","Present"
-"KU-55933","KU-55933","","","","","","","KU-55933","","","","KU-55933","","","KU-55933","","KU-55933","","","KU-55933","","C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4","XRKYMMUGXMWDAO-UHFFFAOYSA-N","5278396",NA,"PDBC00029","787962","Present"
-"Elesclomol","Elesclomol","","","","","","","","","","","Elesclomol","","STA-4783","Elesclomol","","Elesclomol","","","Elesclomol","elesclomol","CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2","BKJIXTWSNXCKJH-UHFFFAOYSA-N","300471",NA,"PDBC00030","174939","Present"
-"Afatinib","BIBW2992","","","BIBW2992","","","","afatinib","","","","Afatinib","","BIBW-2992","Afatinib","Afatinib","Afatinib (BIBW-2992)","","","Afatinib","afatinib","CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4","ULXXDDBFHOBEHA-CWDCEQMOSA-N","10184653",NA,"PDBC00031","799327///750691","Present"
-"Vismodegib","GDC-0449","","","","","vismodegib","","","","","","GDC0449","Vismodegib","Vismodegib","Vismodegib","Vismodegib","Vismodegib (GDC-0449)","Vismodegib (hedgehog inh)","","Vismodegib","vismodegib","CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl","BPQMGSKTAYIVFO-UHFFFAOYSA-N","24776445",NA,"PDBC00032","755986///755809","Present"
-"PLX4720","PLX4720","PLX4720","","","","","","PLX-4720","PLX-4720","","","PLX4720","","","PLX-4720","","PLX-4720","","","PLX-4720","PLX-4720","CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)Cl)F","YZDJQTHVDDOVHR-UHFFFAOYSA-N","24180719",NA,"PDBC00033","757438","Present"
-"BX-795","BX-795","","","","","BX-795","","","","","","BX-795","","","BX795","","","","","","","C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I","VAVXGGRQQJZYBL-UHFFFAOYSA-N","10077147",NA,"PDBC00034","","Present"
-"NU-7441","NU-7441","","","","","","","","NU 7441///NU7441","","","NU-7441","","","NU7441","","","","","","","C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56","JAMULYFATHSZJM-UHFFFAOYSA-N","11327430",NA,"PDBC00035","","Present"
-"SL 0101-1","SL 0101-1","","","","","","","","","","","SL 0101-1","","","SL0101","","","","","","","","","46782929",NA,"PDBC00036","","Present"
-"Bortezomib","Bortezomib","","","Bortezomib///Bortezomib-batch2///Bortezomib-batch1///Velcade","","bortezomib","","bortezomib","bortezomib///Bortezomib","","Bortezomib","Bortezomib","","Bortezomib","Bortezomib","Bortezomib","Bortezomib (Velcade)","Bortezomib","Bortezomib  ","Bortezomib","bortezomib","B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O","GXJABQQUPOEUTA-RDJZCZTQSA-N","387447",TRUE,"PDBC00037","681239///756655","Present"
-"Doramapimod","BIRB 0796","","","","","","","BIRB-796","","","","BIRB 0796","","","Doramapimod","Doramapimod","Doramapimod (BIRB 796)","","","","","","","",NA,"PDBC00038","","Present"
-"JNK Inhibitor VIII","JNK Inhibitor VIII","","","","","","","","","","","JNK Inhibitor VIII","","","JNK Inhibitor VIII","","","","","","","","","11624601",NA,"PDBC00039","","Present"
-"681640","681640","","","","","","","","","","","681640","","","Wee1 Inhibitor","","","","","","","","","",NA,"PDBC00040","","Present"
-"Nutlin-3","Nutlin-3a","Nutlin-3","","Nutlin 3a///Nutlin-3///private_company_drug_2498","","nutlin-3","","nutlin-3","","","","","","Nutlin-3","","","Nutlin 3a","","","Nutlin-3///(+/-)-Nutlin-3","nutlin-3","CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","BDUHCSBCVGXTJM-UHFFFAOYSA-N","216345",NA,"PDBC00041","732664///756875","Present"
-"PD 173074","PD-173074","","","PD173074","PD173074","","","","","","","PD-173074","","PD173074","PD173074","","","","","PD 173074","PD-173074","CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C","DXCUKNQANPLTEJ-UHFFFAOYSA-N","1401",NA,"PDBC00042","766908","Present"
-"ZM-447439","ZM-447439","","","ZM447439","","","","","","","","ZM-447439","","","ZM447439","","","","","","ZM-447439","COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5","OGNYUTNQZVRGMN-UHFFFAOYSA-N","9914412",NA,"PDBC00043","","Present"
-"RO-3306","RO-3306","","","","","","","","","","","RO-3306","","","RO-3306","","","","","","","C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)NCC4=CC=CS4)N=C1","XOLMRFUGOINFDQ-UHFFFAOYSA-N","71433937",NA,"PDBC00044","","Present"
-"MK-2206","MK-2206","","","","","MK-2206","","MK-2206","MK-2206","","MK-2206","MK-2206","","MK-2206","MK-2206","","MK-2206","","","MK-2206","MK-2206","C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N.Cl.Cl","HWUHTJIKQZZBRA-UHFFFAOYSA-N","46930998",NA,"PDBC00045","800794///756656","Present"
-"Palbociclib","PD-0332991","PD-0332991","","","","","","","Palbociclib","","","PD-0332991","","PD-0332991","Palbociclib","Palbociclib","Palbociclib","Palbociclib (CDK4/6 inh)","","Palbociclib","palbociclib","CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C","AHJRHEGDXFFMBM-UHFFFAOYSA-N","5330286",NA,"PDBC00046","758247","Present"
-"Dactolisib","NVP-BEZ235","","BEZ.235","BEZ235","","BEZ235","","NVP-BEZ235","","","BEZ-235","BEZ235","","BEZ-235","Dactolisib","","BEZ235","BEZ235 Tosylate","","Dactolisib","NVP-BEZ235","CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5","JOGKUKXHTYWRGZ-UHFFFAOYSA-N","11977753",NA,"PDBC00047","751249///800085///755807","Present"
-"Pictilisib","GDC0941","","","","GDC-0941","","","GDC-0941","gdc0941///GDC-0941","","","GDC0941","","GDC-0941","Pictilisib","Pictilisib","GDC-0941","","","Pictilisib","GDC-0941","CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6","LHNIIDJUOCFXAP-UHFFFAOYSA-N","17755052",NA,"PDBC00048","800852///755385","Present"
-"AZD8055","AZD8055","","","","","","","AZD8055","AZD-8055","","","AZD8055","","","AZD8055","","","","","AZD-8055","AZD8055","CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOCC5C","KVLFRAWTRWDEDF-IRXDYDNUSA-N","25262965",NA,"PDBC00049","799351///758871","Present"
-"XMD8-85","XMD8-85","","","","","","","","","","","XMD8-85","","","XMD8-85","","","","","","","COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1","","",NA,"PDBC00050","","Present"
-"PD-0325901","PD-0325901","PD-0325901","","","","","0317956-0000","","pd0325901","","PD325901","PD-0325901","","","PD0325901","","","","","PD-0325901///PD-325901","PD-0325901","C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCC(CO)O","SUDAHWBOROXANE-SECBINFHSA-N","9826528",NA,"PDBC00051","755770///800840","Present"
-"SB590885","SB590885","","","","","","","","","","","SB590885","","","SB590885","","","","","SB-590885","SB-590885","CN(C)CCOC1=CC=C(C=C1)C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2","DPCXEUSDRQOOGZ-QLYXXIJNSA-N","11316960",NA,"PDBC00052","754362","Present"
-"Selumetinib","AZD6244","AZD6244","","AZD6244","","selumetinib","","selumetinib","","AZD6244","","selumetinib","","","Selumetinib","Selumetinib","Selumetinib (AZD6244)","selumetinib","","Selumetinib","selumetinib","CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO","CYOHGALHFOKKQC-UHFFFAOYSA-N","10127622",NA,"PDBC00053","741078///800882","Present"
-"AZD6482","AZD6482","","","","","","","AZD6482","","","","AZD6482","","","AZD6482","","","","","AZD-6482","AZD6482","CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3C(=O)O)N4CCOCC4","IRTDIKMSKMREGO-OAHLLOKOSA-N","44137675",NA,"PDBC00054","799349","Present"
-"CCT007093","CCT007093","","","","","","","","","","","CCT007093","","","CCT007093","","","","","","","C1CC(=CC2=CC=CS2)C(=O)C1=CC3=CC=CS3","KPFZCKDPBMGECB-WGDLNXRISA-N","2314623",NA,"PDBC00055","","Present"
-"EHT 1864","EHT 1864","","","","","","","","","","","EHT 1864","","EHT-1864","EHT-1864","","","","","","","","","9938202",NA,"PDBC00056","","Present"
-"Avagacestat","BMS-708163","","","","","","","","","","","BMS-708163","","","Avagacestat","","","","","Avagacestat","","C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)C(CCC(F)(F)F)C(=O)N)Cl","XEAOPVUAMONVLA-QGZVFWFLSA-N","46883536",NA,"PDBC00057","761217","Present"
-"Paclitaxel","Paclitaxel","Paclitaxel","paclitaxel","Paclitaxel","","","paclitaxel","paclitaxel","paclitaxel///Paclitaxel","paclitaxel","Paclitaxel","Paclitaxel","","Paclitaxel","Paclitaxel","Paclitaxel","","","Paclitaxel","Paclitaxel","paclitaxel","CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7","RCINICONZNJXQF-MZXODVADSA-N","36314",TRUE,"PDBC00058","125973///758645","Present"
-"Seliciclib","Roscovitine","","","","","","","","","","","Roscovitine","","","Seliciclib","Seliciclib","Roscovitine (CYC-202)","","Roscovitine","Seliciclib","","CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C","BTIHMVBBUGXLCJ-OAHLLOKOSA-N","160355",NA,"PDBC00059","701554","Present"
-"Salubrinal","Salubrinal","","","","","","","","","","","Salubrinal","","","Salubrinal","","","","","","","C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3","LCOIAYJMPKXARU-VAWYXSNFSA-N","5717801",NA,"PDBC00060","","Present"
-"PF-4708671","PF-4708671","","","","","","","","PF-4708671","","","PF-4708671","","","PF-4708671","","","","","","","CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F","FBLPQCAQRNSVHB-UHFFFAOYSA-N","51371303",NA,"PDBC00061","","Present"
-"Serdemetan","JNJ-26854165","","","","","serdemetan","","serdemetan","","","","JNJ-26854165","","","Serdemetan","Serdemetan","","","","","serdemetan","C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4","CEGSUKYESLWKJP-UHFFFAOYSA-N","11609586",NA,"PDBC00062","","Present"
-"TW 37","TW 37","","","","","TW-37","","TW-37","","","","TW 37","","","TW 37","","","","","","TW-37","CC(C)C1=CC=CC=C1CC2=C(C(=C(C(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C)O)O)O","PQAPVTKIEGUPRN-UHFFFAOYSA-N","11455910",NA,"PDBC00063","","Present"
-"CCT018159","CCT018159","","","","","","","","","","","CCT018159","","","CCT-018159","","","","","","","CCC1=CC(=C2C(=C(NN2)C)C3=CC4=C(C=C3)OCCO4)C(=O)C=C1O","BBTMGPQSLSYPHE-ZHZULCJRSA-N","5327091",NA,"PDBC00064","","Present"
-"Rucaparib phosphate","AG-014699","","","","","rucaparib","","","","","","AG-014699","","","Rucaparib","","","","","","","CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=CC(=CC(=C34)N2)F.OP(=O)(O)O","FCCGJTKEKXUBFZ-UHFFFAOYSA-N","9931953",NA,"PDBC00065","","Present"
-"Lapatinib","Lapatinib","Lapatinib","lapatinib","Lapatinib///private_company_drug_2643","","","","lapatinib","lapatinib///Lapatinib","lapatinib","Lapatinib","Lapatinib","","Lapatinib","Lapatinib","Lapatinib","Lapatinib","","Lapatinib","Lapatinib","lapatinib","CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","BCFGMOOMADDAQU-UHFFFAOYSA-N","208908",TRUE,"PDBC00066","745750///800780///727989","Present"
-"Aminofurazanyl-azabenzimidazole 6n","GSK269962A","","","","","","","","","","","GSK269962A","","","GSK269962A","","","","","GSK269962B","","CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6","YOVNFNXUCOWYSG-UHFFFAOYSA-N","16095342",NA,"PDBC00067","756162","Present"
-"Doxorubicin","Doxorubicin","","","Doxorubicin///Doxorubicin(FD)","","","doxorubicin","doxorubicin","doxorubicin","","Doxorubicin","Doxorubicin","","","Doxorubicin","Doxorubicin","","","Doxorubicin1,Doxorubicin2,Doxorubicin3,Doxorubicin4,Doxorubicin5,Doxorubicin6,Doxorubicin7,Doxorubicin8,Doxorubicin hydrochloride","Doxorubicin","doxorubicin","CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl","MWWSFMDVAYGXBV-FGBJBKNOSA-N","32874",TRUE,"PDBC00068","123127///759155","Present"
-"Etoposide","Etoposide","","","Etoposide","","etoposide","etoposide","etoposide","Etoposide","","Etoposide","Etoposide","","Etoposide","Etoposide","","","Etoposide","Etoposide","Etoposide","etoposide///etoposide-phosphate","CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O","VJJPUSNTGOMMGY-MRVIYFEKSA-N","36462",TRUE,"PDBC00069","757804///141540","Present"
-"Gemcitabine","Gemcitabine","","","Gemcitabine","","gemcitabine","","gemcitabine","gemcitabine///Gemcitabine","","Gemcitabine","Gemcitabine","","Gemcitabine","Gemcitabine","","","","","Gemcitabine","gemcitabine","C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F.Cl","OKKDEIYWILRZIA-UHFFFAOYSA-N","356653",TRUE,"PDBC00070","613327","Present"
-"Mitomycin","Mitomycin C","","","","","mitomycin","","mitomycin","","","Mitomycin","Mitomycin C","","Mitomycin C","Mitomycin-C","","","","","Mitomycin","mitomycin-c","CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N","NWIBSHFKIJFRCO-WUDYKRTCSA-N","5746",NA,"PDBC00071","26980///134727///755880","Present"
-"Vinorelbine","Vinorelbine","","","Vinorelbine","","","","","","","Vinorelbine","Vinorelbine","","Vinorelbine","Vinorelbine","","","","Vinorelbine tartrate","VINORELBINE///Vinorelbine","vinorelbine","CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O","UUHYRRXICWUZHW-RPZOAHRESA-N","25136944",TRUE,"PDBC00072","760087///608210","Present"
-"NSC-87877","NSC-87877","","","","","","","","","","","NSC-87877","","","NSC-87877","","","","","","","C1=CC2=C(C(=O)C(=NNC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)C=C2S(=O)(=O)O)N=C1","BIQBDHSYQMHHPU-CJLVFECKSA-N","5459322",NA,"PDBC00073","","Present"
-"Bicalutamide","Bicalutamide","","","","","","","","","","","Bicalutamide","","","Bicalutamide","Bicalutamide","","","","","bicalutamide","CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O","LKJPYSCBVHEWIU-UHFFFAOYSA-N","2375",TRUE,"PDBC00074","","Present"
-"QS11","QS11","","","","","QS-11","","QS-11","","","","QS11","","","QS11","","","","","","","C1CC2=C(C1)C=C(C=C2)OC3=NC4=C(C(=N3)NC(CC5=CC=CC=C5)CO)N=CN4CC6=CC=C(C=C6)C7=CC=CC=C7","DOKZLKDGUQWMSX-HKBQPEDESA-N","42623900",NA,"PDBC00075","","Present"
-"Midostaurin","Midostaurin","","","","","","","","","","","Midostaurin","","","Midostaurin","","Midostaurin","Midostaurin(PKC412)","","Midostaurin","midostaurin","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC","BMGQWWVMWDBQGC-PZFYLCKJSA-N","24202429",TRUE,"PDBC00076","800791///656576","Present"
-"Chir-99021","CHIR-99021","","","","","CHIR-99021","","CHIR-99021","CHIR-99021","","","CHIR-99021","","","CHIR-99021","","CHIR-99021","","","","CHIR-99021","CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N","AQGNHMOJWBZFQQ-UHFFFAOYSA-N","9956119",NA,"PDBC00077","","Present"
-"Ponatinib","AP-24534","","","","","","","","","","","AP-24534","","","Ponatinib","Ponatinib","Ponatinib (AP24534)","","","Ponatinib","ponatinib","CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5","PHXJVRSECIGDHY-UHFFFAOYSA-N","24826799",NA,"PDBC00078","800855///758487","Present"
-"JNK-9L","JNK-9L","","","","","","","","","","","JNK-9L","","","JNK-9L","","","","","","","N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1)N1CCOCC1","","25222038",NA,"PDBC00079","","Present"
-"PF-00562271 free base","PF-562271","","","","","","","","","","","PF-562271","","","PF-562271","","","","","PF-562271","PF-562271","CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C","MZDKLVOWGIOKTN-UHFFFAOYSA-N","11713159",NA,"PDBC00080","754356///800849","Present"
-"Dimethyloxalylglycine","DMOG","","","","","","dimethyloxalylglycine","","","","","DMOG","","","DMOG","","","","","","","COC(=O)CNC(=O)C(=O)OC","BNJOZDZCRHCODO-UHFFFAOYSA-N","560326",NA,"PDBC00081","","Present"
-"FTI-277","FTI-277","","","","","","","","","","","FTI-277","","","FTI-277","","","","","","","COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC=C2","GKFPROVOIQKYTO-UZLBHIALSA-N","3005532",NA,"PDBC00082","","Present"
-"PDK1 inhibitor AR-12","OSU-03012","","","","","","","","","","","OSU-03012","","","OSU-03012","","","","","OSU-03012","AR-12","C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F","YULUCECVQOCQFQ-UHFFFAOYSA-N","10027278",NA,"PDBC00083","756657","Present"
-"Cyclopamine","Cyclopamine","","","","","","","","","","","Cyclopamine","","","Cyclopamine","Cyclopamine","","","","Cyclopamine","","CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1","QASFUMOKHFSJGL-LAFRSMQTSA-N","442972",NA,"PDBC00084","734950","Present"
-"Shikonin","Shikonin","","","","","","","","","","","Shikonin","","","Shikonin","","","","","shikonin","","","","479503",NA,"PDBC00085","252844","Present"
-"Akt inhibitor VIII","AKT inhibitor VIII","","","","","","","","","","","AKT inhibitor VIII","","","AKT inhibitor VIII","","","","","","","","","10196499",NA,"PDBC00086","","Present"
-"Embelin","Embelin","","","","","","","","","","","Embelin","","Embelin","Embelin","","","","","embelin","embelin","CCCCCCCCCCCC1C(=O)C(=O)CC(=O)C1=O","","3218",TRUE,"PDBC00087","91874","Present"
-"FH535","FH535","","","","","","","","","","","FH535","","","FH535","","","","","FH-535","","CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl","AXNUEXXEQGQWPA-UHFFFAOYSA-N","3463933",NA,"PDBC00088","778746","Present"
-"Pac-1","PAC-1","","","","","PAC-1","","PAC-1","","","","PAC-1","","","PAC-1","","","","","PAC-1","PAC-1","Oc1c(CC=C)cccc1C=NNC(=O)CN2CCN(Cc3ccccc3)CC2","","6851947",NA,"PDBC00089","743444","Present"
-"Bis(2-hydroxy-1-naphthyl) disulfide","IPA-3","","","","","","","","","","","IPA-3","","","IPA-3","","","","","","","C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O","RFAXLXKIAKIUDT-UHFFFAOYSA-N","521106",NA,"PDBC00090","","Present"
-"GSK-650394","GSK-650394","","","GSK650394///GSK-650394","","","","","","","","GSK-650394","","","GSK650394","","","","","","GSK650394","C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=NC=C(C=C34)C5=CC=CC=C5)C(=O)O","WVSBGSNVCDAMCF-UHFFFAOYSA-N","25022668",NA,"PDBC00091","","Present"
-"BAY-61-3606 free base","BAY 61-3606","","","","","","","","","","","BAY 61-3606","","","BAY-61-3606","","","","","BAY 61-3606","","","","10200390",NA,"PDBC00092","766992","Present"
-"Thapsigargin","Thapsigargin","","","","","","thapsigargin","","thapsigargin","","","Thapsigargin","","","Thapsigargin","","","","Thapsigargin","thapsigargin","","CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C","IXFPJGBNCFXKPI-FSIHEZPISA-N","446378",NA,"PDBC00093","299933","Present"
-"Obatoclax","Obatoclax Mesylate","","","","","","","obatoclax","","","","Obatoclax Mesylate","","Obatoclax","Obatoclax Mesylate","","","","","Obatoclax","obatoclax","","","16681698",NA,"PDBC00094","744912///756663","Present"
-"Bms-754807","BMS-754807","","","","","BMS-754807","","BMS-754807","","","","BMS-754807","","BMS-754807","BMS-754807","BMS-754807","","","","BMS-754807","BMS-754807","CC1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F","LQVXSNNAFNGRAH-QHCPKHFHSA-N","24785538",NA,"PDBC00095","758243///799364","Present"
-"Linsitinib","OSI-906","","","","","linsitinib","","linsitinib","","","","Linsitinib","","OSI-906","Linsitinib","","","","","Linsitinib","linsitinib","CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O","PKCDDUHJAFVJJB-UHFFFAOYSA-N","11640390",NA,"PDBC00096","756652///800784","Present"
-"Bexarotene","Bexarotene","","","","","","","bexarotene","","","","Bexarotene","","","Bexarotene","Bexarotene","","","","","bexarotene","CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C","NAVMQTYZDKMPEU-UHFFFAOYSA-N","82146",TRUE,"PDBC00097","","Present"
-"Bleomycin a2","Bleomycin","","","","","","","bleomycin A2","","","","Bleomycin///Bleomycin (50 uM)","","","Bleomycin///Bleomycin (50 uM)///Bleomycin (10 uM)","","","","","Bleomycin","","CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]","WUIABRMSWOKTOF-NUAMMRKQSA-N","5460769",TRUE,"PDBC00098","758612///125066","Present"
-"Lfm-a13","LFM-A13","","","","","LFM-A13","","","","","","LFM-A13","","","LFM-A13","","","","","","","CC(=C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br)O","UVSVTDVJQAJIFG-VURMDHGXSA-N","54676905",NA,"PDBC00099","","Present"
-"Luminespib","AUY922","","","","","NVP-AUY922","","","","","","AUY922","","","Luminespib","","","","","Luminespib","NVP-AUY922","CCNC(=O)C1=C(C(=C2C=C(C(=CC2=O)O)C(C)C)ON1)C3=CC=C(C=C3)CN4CCOCC4","SWDZPNJZKUGIIH-QQTULTPQSA-N","10096043",NA,"PDBC00100","755762","Present"
-"Bryostatin 1","Bryostatin 1","","","","","","","","","","","Bryostatin 1","","","Bryostatin 1","Bryostatin 1","","","","Bryostatin 1","","CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O","MJQUEDHRCUIRLF-KOWVOJLTSA-N","5477635",NA,"PDBC00101","339555","Present"
-"Pazopanib","Pazopanib","","pazopanib","","","","","pazopanib","","","","Pazopanib","","","Pazopanib","Pazopanib","Pazopanib (GW786034)","","Pazopanib","Pazopanib","pazopanib","CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N.Cl","MQHIQUBXFFAOMK-UHFFFAOYSA-N","11525740",TRUE,"PDBC00102","800839///752782///737754","Present"
-"Dacinostat","LAQ824","","","","","","","","","","","LAQ824","","","Dacinostat","","","","","","dacinostat","C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)C=CC(=O)NO","BWDQBBCUWLSASG-MDZDMXLPSA-N","6445533",NA,"PDBC00103","","Present"
-"Epothilone B","Epothilone B","","","","","","","","","","","Epothilone B","","","Epothilone B","Patupilone","","","","Epothilone B","epothilone-b","","","448013",NA,"PDBC00104","684363","Present"
-"GSK-1904529A","GSK-1904529A","","GSK1904529","","","","","","","","","GSK1904529A","","","GSK1904529A","","GSK-1904529A","","","GSK-1904529A","GSK1904529A","CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F","MOSKATHMXWSZTQ-UHFFFAOYSA-N","25124816",NA,"PDBC00105","767951","Present"
-"Tipifarnib","Tipifarnib","","","","","tipifarnib-P2///tipifarnib-P1","","tipifarnib-P2///tipifarnib-P1","","","","Tipifarnib","","Tipifarnib","Tipifarnib","Tipifarnib","","","","Tipifarnib","tipifarnib","CN1C=NC=C1C(C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N","PLHJCIYEEKOWNM-HHHXNRCGSA-N","159324",NA,"PDBC00106","760444","Present"
-"AS601245","AS601245","","","","","","","","","","","AS601245","","","AS601245","","","","","","","C1=CC=C2C(=C1)NC(=C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4)S2","AVLYNJZZQYEFEA-XDJHFCHBSA-N","11422035",NA,"PDBC00107","","Present"
-"AZ-628","AZ628","","","","","","","","AZ-628","","","AZ628","","","AZ628","","","","","AZ-628","AZ-628","CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C","ZGBGPEDJXCYQPH-UHFFFAOYSA-N","11676786",NA,"PDBC00108","782007","Present"
-"Sirolimus","Rapamycin","","","Rapamycin","","sirolimus","sirolimus","sirolimus","rapamycin","","","Rapamycin","Sirolimus (rapamycin)","Rapamycin","Rapamycin","","Rapamycin","","Rapamycin","","sirolimus","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC","QFJCIRLUMZQUOT-HPLJOQBZSA-N","5284616",NA,"PDBC00109","","Present"
-"Sorafenib","Sorafenib","Sorafenib","","Sorafenib","","","","sorafenib","","","Sorafenib","Sorafenib","","Sorafenib","Sorafenib","Sorafenib","Sorafenib","","Sorafenib tosylate","Sorafenib","sorafenib","CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F","MLDQJTXFUGDVEO-UHFFFAOYSA-N","216239",TRUE,"PDBC00110","747971///800934///724772","Present"
-"Tozasertib","VX-680","","","VX-680","","tozasertib","","VX-680","","","","VX-680","","Tosazertib","Tozasertib","","Tozasertib (VX-680)","","","Tozasertib","tozasertib","CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5","GCIKSSRWRFVXBI-UHFFFAOYSA-N","5494449",NA,"PDBC00111","800955","Present"
-"Imatinib","Imatinib","","","Imatinib","","","imatinib","imatinib","","","","Imatinib","","Imatinib","Imatinib","Imatinib","Imatinib","","Imatinib","Imatinib","imatinib","CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5","KTUFNOKKBVMGRW-UHFFFAOYSA-N","5291",TRUE,"PDBC00112","743414","Present"
-"Nvp-tae 684","NVP-TAE684","TAE684","","","","","","NVP-TAE684","","","","TAE684","","NVP-TAE684","NVP-TAE684","","NVP-TAE684","","","TAE-684","NVP-TAE684","CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC","QQWUGDVOUVUTOY-UHFFFAOYSA-N","16038120",NA,"PDBC00113","764041","Present"
-"Crizotinib","PF-02341066","PF-2341066","","PF-2341066///Crizotinib","PF-2341066","","","crizotinib","crizotinib///Crizotinib","","","Crizotinib","","Crizotinib","Crizotinib","Crizotinib","Crizotinib (PF-2341066)","","Crizotinib  ","Crizotinib","crizotinib","CC(C1=C(C=C(C=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N","SCJHEFQWKWHQTO-GFCCVEGCSA-N","54613769",TRUE,"PDBC00114","800080///756645","Present"
-"Saracatinib","AZD-0530","AZD0530","","","","","","saracatinib","","","","Saracatinib","","","Saracatinib","Saracatinib","Saracatinib (AZD0530)","","","Saracatinib","saracatinib","CN1CCN(CC1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6","OUKYUETWWIPKQR-UHFFFAOYSA-N","10302451",NA,"PDBC00115","758872///800878","Present"
-"S-Trityl-L-cysteine","S-Trityl-L-cysteine","","","","","","","","","","","S-Trityl-L-cysteine","","","S-Trityl-L-cysteine","S-trityl-L-cysteine","","","","","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)[O-])[NH3+]","DLMYFMLKORXJPO-FQEVSTJZSA-N","7058066",NA,"PDBC00116","","Present"
-"Z-LLNle-CHO","Z-LLNle-CHO","","","","","","","","","","","Z-LLNle-CHO","","","Z-LLNle-CHO","","","","","Z-Leu-Leu-Nle-CHO","","CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1","RNPDUXVFGTULLP-ATTQYFOMSA-N","16760646",NA,"PDBC00117","744338","Present"
-"Sunitinib","Sunitinib","","","Sunitinib Malate","","","","sunitinib","","","Sunitinib","Sunitinib","","Sunitinib","Sunitinib","Sunitinib","Sunitinib","","Sunitinib Malate  ","Sunitinib","sunitinib","CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C","WINHZLLDWRZWRT-ATVHPVEESA-N","5329102",TRUE,"PDBC00118","750690///800937","Present"
-"Dasatinib","Dasatinib","","","","","","","dasatinib","Dasatinib","","Dasatinib","Dasatinib","","Dasatinib","Dasatinib","Dasatinib","Dasatinib","Dasatinib","Dasatinib  ","Dasatinib","dasatinib","CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C","ZBNZXTGUTAYRHI-UHFFFAOYSA-N","3062316",TRUE,"PDBC00119","732517///800087///759877","Present"
-"GNF-2","GNF-2","","","","","","","","","","","GNF-2","","","GNF-2","","","","","","","C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F","WEVYNIUIFUYDGI-UHFFFAOYSA-N","5311510",NA,"PDBC00120","","Present"
-"CGP-60474","CGP-60474","","","","","","","","","","","CGP-60474","","","CGP-60474","","","","","","","C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO","IYNDTACKOAXKBJ-UHFFFAOYSA-N","644215",NA,"PDBC00121","","Present"
-"CGP-082996","CGP-082996","","","","","","","","","","","CGP-082996","","","CGP-082996","","","","","","","CCNC1=NC(=NC(=C1)NC2CCC(CC2)O)NC3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5","YVXCDLCJCIDFHE-UHFFFAOYSA-N","24825971",NA,"PDBC00122","","Present"
-"A-770041","A-770041","","","","","","","","","","","A-770041","","","A-770041","","","","","","","CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)C(=NC=N4)N","ZMNWFTYYYCSSTF-UHFFFAOYSA-N","9549184",NA,"PDBC00123","","Present"
-"WH-4-023","WH-4-023","","","","","","","","","","","WH-4-023","","","WH-4-023","","","","","","","CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C","NBTNHSGBRGTFJS-UHFFFAOYSA-N","11844351",NA,"PDBC00124","","Present"
-"WZ-1-84","WZ-1-84","","","","","","","","","","","WZ-1-84","","","WZ-1-84","","","","","","","","","",NA,"PDBC00125","","Present"
-"Pha-665752","PHA-665752","PHA-665752","","","","","PHA-00665752","","","","","PHA-665752","","PHA 665752","PHA-665752","","PHA-665752","","","PHA-665752","PHA-665752","CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O","OYONTEXKYJZFHA-SSHUPFPWSA-N","10461815",NA,"PDBC00126","766271","Present"
-"BI-2536","BI-2536","","","","","BI-2536","","BI-2536","","","","BI-2536","","BI-2536","BI-2536","BI 2536","BI-2536","","","BI-2536","BI-2536","CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C","XQVVPGYIWAGRNI-JOCHJYFZSA-N","11364421",NA,"PDBC00127","755983///799359","Present"
-"Unii-40E3azg1MX","BMS-536924","","","","","BMS-536924","","BMS-536924","","","","BMS-536924","","","BMS-536924","","","","","","","CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC(=CC=C4)Cl)O)N2)N5CCOCC5","UGQMURPIMYALPH-PZJQAWQVSA-N","10390396",NA,"PDBC00128","","Present"
-"Bms-509744","BMS-509744","","","","","","","","","","","BMS-509744","","","BMS-509744","","","","","","","CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(C)C(C)(C)C","ZHXNIYGJAOPMSO-UHFFFAOYSA-N","11467730",NA,"PDBC00129","","Present"
-"CMK","CMK","","","","","","","","","","","CMK","","","CMK","","","","","","","CC1=C(C=CC(=C1)O)Cl","CFKMVGJGLGKFKI-UHFFFAOYSA-N","1732",NA,"PDBC00130","","Present"
-"Pyrimethamine","Pyrimethamine","","","","","","pyrimethamine","","","","","Pyrimethamine","","","Pyrimethamine","","","","","malacid","pyrimethamine","CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl","WKSAUQYGYAYLPV-UHFFFAOYSA-N","4993",TRUE,"PDBC00131","757306///3061","Present"
-"JW-7-52-1","JW-7-52-1","","","","","","","","","","","JW-7-52-1","","","JW-7-52-1","","","","","","","[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]","NTGFFEISRDRAST-UHFFFAOYSA-N","20822503",NA,"PDBC00132","","Present"
-"A-443654","A-443654","","","","","","","","","","","A-443654","","","A-443654","","","","","","","CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CNC5=CC=CC=C54)N","YWTBGJGMTBHQTM-IBGZPJMESA-N","10172943",NA,"PDBC00133","","Present"
-"GW843682X","GW843682X","","","GW843682X","","GW-843682X","","GW-843682X","","","","GW843682X","","","GW843682X","","","","","GW843682X","GW-843682X","COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC","JSKUWFIZUALZLX-UHFFFAOYSA-N","9826308",NA,"PDBC00134","756404","Present"
-"Entinostat","MS-275","","","","","","MS-275","entinostat","ms275","","","MS-275","","MS-275","Entinostat","Entinostat","","","","Entinostat","entinostat","C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3","INVTYAOGFAGBOE-UHFFFAOYSA-N","4261",NA,"PDBC00135","706995///756642","Present"
-"(-)-Parthenolide","Parthenolide","","","","","parthenolide","parthenolide","parthenolide","","","","Parthenolide","","","Parthenolide","","","","Parthenolide","Parthenolide","parthenolide///parthenolide-(-)","CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C","KTEXNACQROZXEV-ZRPLFPEYSA-N","5420804",NA,"PDBC00136","157035","Present"
-"Z-Leu-leu-leu-al","MG-132","","","MG-132///Z-Leu-Leu-Leu-al","","","MG-132","MG-132","","","","MG-132","","","MG-132","","","","MG-132","MG-132","MG-132","CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1","TZYWCYJVHRLUCT-VABKMULXSA-N","462382",NA,"PDBC00137","782153","Present"
-"KIN001-135","KIN001-135","","","","","","","CAY10576","","","","KIN001-135","","","GSK319347A","","","","","","","N#[In]","NWAIGJYBQQYSPW-UHFFFAOYSA-N","117560",NA,"PDBC00138","","Present"
-"TGX221","TGX221","","TGX.221","","","","","TGX-221","TGX-221","","","TGX221","","","TGX221","","","","","","","CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4","CPRAGQJXBLMUEL-UHFFFAOYSA-N","9907093",NA,"PDBC00139","","Present"
-"Nvp-aew541","","AEW541","","","","","","","","","","","","","","","","","","AEW-541","NVP-AEW541","C1CN(C1)CC2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6","AECDBHGVIIRMOI-UHFFFAOYSA-N","11476171",NA,"PDBC00140","799326///767006","Present"
-"Irinotecan","","Irinotecan","","CPT-11///CPT-11(FD)","","","irinotecan","","irinotecan","","","","","","Irinotecan","Irinotecan","","","","Irinotecan","irinotecan","CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7","UWKQSNNFCGGAFS-XIFFEERXSA-N","60838",TRUE,"PDBC00141","728073///759878///616348","Present"
-"L-685458","","L-685458","","","","L-685458","","L-685458","","","","","","","","","","","","","","CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O","MURCDOXDAHPNRQ-ZJKZPDEISA-N","5479543",NA,"PDBC00142","","Present"
-"LBW242","","LBW242","","","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00143","","Present"
-"Panobinostat","","Panobinostat","","LBH589","","","","LBH-589","","","","","","","Panobinostat","Panobinostat","Panobinostat","Panobinostat","","Panobinostat","panobinostat","CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO","FPOHNWQLNRZRFC-ZHACJKMWSA-N","6918837",TRUE,"PDBC00144","761190","Present"
-"Raf265(chir-265)","","RAF265","","","","","","RAF265","","","","","","","","RAF265","RAF265 (CHIR-265)","","","RAF-265","RAF265","CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F","YABJJWZLRMPFSI-UHFFFAOYSA-N","11656518",NA,"PDBC00145","754357","Present"
-"Dovitinib","","TKI258","","","","","","","","","","","","Dovitinib","","","Dovitinib (CHIR-258)","","","Dovitinib","dovitinib","CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C(=NC4=O)C=CC=C5F)N)N3","KCOYQXZDFIIGCY-ZZEZOPTASA-N","9886808",NA,"PDBC00146","759661///800092","Present"
-"Topotecan","","Topotecan","","Topotecan","","","","topotecan","","","Topotecan","","","Topotecan","Topotecan","Topotecan","","","","Topotecan","topotecan","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)[NH+]=C5C=CC(=C(C5=C4)CN(C)C)O)O.[Cl-]","DGHHQBMTXTWTJV-BQAIUKQQSA-N","11972519",TRUE,"PDBC00147","609699///759263","Present"
-"Vandetanib","","Vandetanib","","","","","","vandetanib","","","","","","Vandetanib","","Vandetanib","Vandetanib (ZD6474)","","Vandetanib","Vandetanib","vandetanib","CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC","UHTHHESEBZOYNR-UHFFFAOYSA-N","3081361",TRUE,"PDBC00148","800961///760766","Present"
-"GSK1139710","","","GSK1139710","","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00149","","Absent"
-"Trametinib","","","GSK1120212","GSK1120212///private_company_drug_3560","","","","trametinib","","","","Trametinib","","GSK1120212","Trametinib","","Trametinib (GSK1120212)","Trametinib (MEK1/2 inhibitor)","","Trametinib","trametinib","CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC(=CC=C4)NC(=O)C)C5CC5","LIRYPHYGHXZJBZ-UHFFFAOYSA-N","11707110",NA,"PDBC00150","800956///758246","Present"
-"GSK1070916","","","GSK1070916","GSK1070916///private_company_drug_2220","","","","","","","","GSK1070916","","","GSK1070916","","","","","GSK-1070916","GSK1070916","CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC(=CC=C5)CN(C)C","QTBWCSQGBMPECM-UHFFFAOYSA-N","46885626",NA,"PDBC00151","800108///777445","Present"
-"GSK923295","","","GSK923295","GSK923295///private_company_drug_8461","","","","","","","","","","","","","","","","GSK-295","GSK923295","CC(C)OC1=C(C=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)C3=CN4C=CC=C(C4=N3)C(C)O)CNC(=O)CN(C)C)Cl","WHMXDBPHBVLYRC-OFVILXPXSA-N","46898058",NA,"PDBC00152","789041","Present"
-"Gsk-690693","","","GSK690693","","","","","","","","","GSK690693","","GSK690693","GSK690693","","GSK690693","","","GSK-690693","","CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N","KGPGFQWBCSZGEL-ZDUSSCGKSA-N","16725726",NA,"PDBC00153","766991","Present"
-"GSK1059615","","","GSK1059615","GSK1059615","","","","GSK1059615","","","","","","","GSK1059615","","","","","GSK-1059615","","C1=CC2=NC=CC(=C2C=C1C=C3C(=O)NC(=O)S3)C4=CC=NC=C4","QDITZBLZQQZVEE-YBEGLDIGSA-N","23582824",NA,"PDBC00154","801012","Present"
-"Gsk-461364","","","GSK461364","GSK461364///private_company_drug_8437","","","","GSK461364","","","","","","","","","","","","GSK-461364","GSK461364","CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)N","ZHJGWYRLJUCMRT-QGZVFWFLSA-N","15983966",NA,"PDBC00155","754354///800111","Present"
-"GSK661637","","","GSK661637","","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00156","","Absent"
-"Foretinib","","","foretinib","","","","","foretinib","","","","Foretinib","","Foretinib","Foretinib","","Foretinib (XL880)","","","Foretinib","foretinib","COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F","CXQHYVUVSFXTMY-UHFFFAOYSA-N","42642645",NA,"PDBC00157","755775///800101","Present"
-"GSK1838705","","","GSK1838705","GSK1838705///private_company_drug_2931","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00158","","Present"
-"Perifosine","","","perifosine","","","","","","","","","","","","","","","","","Perifosine","","CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)C","SZFPYBIJACMNJV-UHFFFAOYSA-N","148177",NA,"PDBC00159","800842///639966","Present"
-"PQIP","","","PQIP","","","","","","","","","","","","","","","","","","","CN1CCN(CC1)C2CC(C2)C3=NC(=C4N3C=CN=C4N)C5=CC6=C(C=C5)C=CC(=N6)C7=CC=CC=C7","PDJARQSWGDDFHH-UHFFFAOYSA-N","16214946",NA,"PDBC00160","","Absent"
-"2-Pyridinecarboxylic acid","","","","","","","","","","","","","","","Picolinici-acid","","","","","o-pyridinecarboxylic acid","picolinic-acid","C1=CC=NC(=C1)C(=O)O","SIOXPEMLGUPBBT-UHFFFAOYSA-N","1018",NA,"PDBC00161","171","Present"
-"5-Amino-1,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one","","","","","","","8-azaguanine","","","","","","","","","","","","Azaguanine-8","","","C12=NNNC1=NC(=NC2=O)N","LPXQRXLUHJKZIE-UHFFFAOYSA-N","8646",NA,"PDBC00162","","Absent"
-"7H-Purine-6-thiol, 2-amino-","","","","","","","tioguanine","","","","","","Thioguanine","","","","","","Thioguanine","6-THIOGUANINE///6-Thioguanine","thioguanine///tioguanine","C1=NC2=C(N1)C(=S)N=C(N2)N","WYWHKKSPHMUBEB-UHFFFAOYSA-N","2723601",NA,"PDBC00163","752///757348","Present"
-"7H-Purine-6-thiol","","","","","","","mercaptopurine","","","","","","Mercaptopurine","","","","","","","6-Mercaptopurine///6-MERCAPTOPURINE","mercaptopurine","C1=NC2=C(N1)C(=S)N=CN2","GLVAUDGFNGKCSF-UHFFFAOYSA-N","667490",NA,"PDBC00164","759614///755","Present"
-"colchicine","","","","","","","colchicine","","","","","","","","","","","","Colchicine","COLCHICINE///Colchicine","colchicine","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","IAKHMKGGTNLKSZ-INIZCTEOSA-N","6167",NA,"PDBC00165","756702///757","Present"
-"nuelin","","","","","","","theophylline","","","","","","","","","","","","Theophylline monohydrate","nuelin","theophylline","CN1C2=C(C(=O)N(C1=O)C)NC=N2","ZFXYFBGIUFBOJW-UHFFFAOYSA-N","2153",NA,"PDBC00166","2066","Present"
-"Dichloroacetic acid","","","","Sodium Dichloroacetate","","dichloroacetic acid","","","","","","","","","","","","","","wln: qvygg","","C(C(=O)O)(Cl)Cl","JXTHNDFMNIQAHM-UHFFFAOYSA-N","6597",NA,"PDBC00167","2654","Present"
-"Fumagillol","","","","","","fumagillol","","","","","","","","","","","","","","gelcohol","","CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)O)OC)C","CEVCTNCUIVEQOY-JQOWZUPLSA-N","222778",NA,"PDBC00168","9665","Present"
-"Dexamethasone","","","","","","dexamethasone","dexamethasone","dexamethasone","","","Dexamethasone","","","","","","","","","Dexamethasone Decadron","","CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C","UREBDLICKHMUKA-CXSFZGCWSA-N","5743",TRUE,"PDBC00169","34521","Present"
-"[2-(4-Chlorophenyl)-4-quinolinyl](2-piperidinyl)methanol","","","","","","","","","","","","","","","","","","","Vakuinol-1","(2-(4-chlorophenyl)quinolin-4-yl)(piperidin-2-yl)methanol","","C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)O","VKLJPGAHSLIQKH-UHFFFAOYSA-N","224644",NA,"PDBC00170","13316","Present"
-"Trifluoperazine","","","","","","trifluoperazine","trifluoperazine","trifluoperazine","","","","","","Trifluoperazine","","","","","Trifluoperazine dihydrochloride","","","CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F","ZEWQUBUPAILYHI-UHFFFAOYSA-N","5566",TRUE,"PDBC00171","","Present"
-"NSC19630","","","","","","","","NSC19630","","","","","","","MIRA-1","","","","","(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate///MIRA-1","","CCC(=O)OCN1C(=O)C=CC1=O","YXEWPGYLMHXLPS-UHFFFAOYSA-N","227681",NA,"PDBC00172","19630///758772","Present"
-"5-Fluorouracil","","","","5-FU","","","","fluorouracil","5-FU","","5-Fluorouracil","5-Fluorouracil","5-Fluorouracil","5-Fluorouracil","5-Fluorouracil","","","","","Fluorouracil","5-fluorouracil","C1=C(C(=O)NC(=O)N1)F","GHASVSINZRGABV-UHFFFAOYSA-N","3385",NA,"PDBC00173","757036///19893","Present"
-"NSC23766","","","","","","NSC23766","","NSC23766","","","","","","","","","","","","","NSC-23766","CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C2)N=C(C=C3N)C)C","DEFBCZWQLILOJF-UHFFFAOYSA-N","409805",NA,"PDBC00174","","Present"
-"Disulfiram","","","","Disulfiram","","","disulfiram///Prestwick-1082","","","","","","","","","","","","","Disulfiram","disulfiram","CCN(CC)C(=S)SSC(=S)N(CC)CC","AUZONCFQVSMFAP-UHFFFAOYSA-N","3117",TRUE,"PDBC00175","25953","Present"
-"Rotenone","","","","","","rotenone","rotenone","","","","","","","","","","","","","cube","","CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC","JUVIOZPCNVVQFO-HBGVWJBISA-N","6758",NA,"PDBC00176","26258","Present"
-"Cyclophosphamide","","","","","","","","cyclophosphamide","","","","","Cyclophosphamide","","Cyclophosphamide","","","","","Cyclophosphamide","cyclophosphamide","C1CNP(=O)(OC1)N(CCCl)CCCl","CMSMOCZEIVJLDB-UHFFFAOYSA-N","2907",TRUE,"PDBC00177","26271","Present"
-"Aspirin","","","","","","aspirin","acetylsalicylic acid","","","","","","","","","","","","","xaxa","aspirin","CC(=O)OC1=CC=CC=C1C(=O)O","BSYNRYMUTXBXSQ-UHFFFAOYSA-N","2244",TRUE,"PDBC00178","27223","Present"
-"NSC30930","","","","","","","","NSC30930","","","","","","","","","","","","NSC49096///2-Indolecarboxylic acid, 5-(benzyloxy)-","","C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3)C(=O)O","MVCLSAMNMAWXFQ-UHFFFAOYSA-N","81146",NA,"PDBC00179","49096///30930","Present"
-"Curcumin","","","","","","curcumin","","curcumin","","","","","","Curcumin","","","","","","Curcumin","curcumin","COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O","VFLDPWHFBUODDF-FCXRPNKRSA-N","969516",NA,"PDBC00180","32982","Present"
-"Podophyllotoxin bromide","","","","","","","","","","","","","","","Podophyllotoxin bromide","","","","","Podophyllotoxin acetate///Podophyllotoxin bromide","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)Br","VNDCSULMOTZMNT-KSRYTWCQSA-N","234820",NA,"PDBC00181","36408///35468","Present"
-"3-aminobenzamide","","","","","","3-aminobenzamide","3-aminobenzamide","","","","","","","","","","","","","m-Aminobenzamide","3-amino-benzamide","C1=CC(=CC(=C1)N)C(=O)N","GSCPDZHWVNUUFI-UHFFFAOYSA-N","1645",NA,"PDBC00182","36962","Present"
-"NSC48300","","","","","","","","NSC48300","","","","","","","","","","","","antineoplastic-48300","","C1=CC(=CC=C1CC2=CC=C(C=C2)[As](=O)(O)O)[As](=O)(O)O","LONYFCOVHHQLGM-UHFFFAOYSA-N","241158",NA,"PDBC00183","48300","Present"
-"Dihydrorotenone","","","","","","","","","","","","","","","Dihydrorotenone","","","","","Dihydrorotenone","","CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC","DTFARBHXORYQBF-HBGVWJBISA-N","243725",NA,"PDBC00184","53866","Present"
-"Brefeldin A","","","","","","brefeldin A","","brefeldin A","","","","","","","","","","","","lunatin","brefeldin-a","CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","KQNZDYYTLMIZCT-KQPMLPITSA-N","5287620",NA,"PDBC00185","89671///56310","Present"
-"Gossypol","","","","","","gossypol","gossypol","gossypol","","","","","","","","","","","","(+/-)-gossypol///(+)-Gossypol","gossypol","CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C","QBKSWRVVCFFDOT-UHFFFAOYSA-N","3503",NA,"PDBC00186","56817///728875","Present"
-"Acetalax","","","","","","","","","","","","","","","Acetalax","","","","","Acetalax","","CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C","PHPUXYRXPHEJDF-UHFFFAOYSA-N","8269",NA,"PDBC00187","59687///117186","Present"
-"Homatropine","","","","","","","homatropine","","","","","","","","","","","","","Homatropine","","CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O","ZTVIKZXZYLEVOL-UHFFFAOYSA-N","3623",NA,"PDBC00188","60600","Present"
-"2-bromopyruvate","","","","","","2-bromopyruvate","","","","","","","","","","","","","","","","C(C(=O)C(=O)[O-])Br","PRRZDZJYSJLDBS-UHFFFAOYSA-M","6994776",NA,"PDBC00189","","Absent"
-"GANT-58","","","","","","GANT-58","","","","","","","","","","","","","","Pyridine, 4,4',4'',4'''-(2,3,4,5-thiophenetetrayl)tetrak...","","C1=CN=CC=C1C2=C(SC(=C2C3=CC=NC=C3)C4=CC=NC=C4)C5=CC=NC=C5","USWLOKMMUTWFMD-UHFFFAOYSA-N","253078",NA,"PDBC00190","75503","Present"
-"1,9-Pyrazoloanthrone","","","","","","","","pyrazolanthrone","","","","","","JNK Inhibitor II","","","","","","1,9-Pyrazoleanthrone///pyrazolanthrone","","C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O","ACPOUJIDANTYHO-UHFFFAOYSA-N","8515",NA,"PDBC00191","755773///75890","Present"
-"Valproic acid","","","","Valproic acid","","","valproic acid","","","","","","","","","","","","","ergenyl","","CCCC(CCC)C(=O)O","NIJJYAXOARWZEE-UHFFFAOYSA-N","3121",TRUE,"PDBC00192","93819","Present"
-"NSC95397","","","","","","NSC95397","","NSC95397","","","","","","","","","","","","1,4-Naphthalenedione, 2,3-bis[(2-hydroxyethyl)thio]-","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCO)SCCO","MAASHDQFQDDECQ-UHFFFAOYSA-N","262093",NA,"PDBC00193","95397","Present"
-"Haloprogin","","","","","","","","","","","","","","","","","","","Haloprogin","Haloprogin","","C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI","CTETYYAZBPJBHE-UHFFFAOYSA-N","3561",NA,"PDBC00194","100071","Present"
-"Cytochalasin B","","","","","","cytochalasin B","cytochalasin B","cytochalasin B","","","","","","","","","","","","Cytochalasin B","cytochalasin-b","CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O","GBOGMAARMMDZGR-TYHYBEHESA-N","5311281",NA,"PDBC00195","107658","Present"
-"Cucurbitacin I","","","","","","","","cucurbitacin I","","","","","","","","","","","","elatericin b","","CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C","NISPVUDLMHQFRQ-MKIKIEMVSA-N","5281321",NA,"PDBC00196","112167///521777","Present"
-"Epirubicin","","","","Epirubicin","","","","","","","","","","","Epirubicin","","","","","Epirubicin","epirubicin","CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O","AOJJSUZBOXZQNB-VTZDEGQISA-N","41867",TRUE,"PDBC00197","759195///256942","Present"
-"Cerulenin","","","","","","cerulenin","","cerulenin","","","","","","Cerulenin","","","","","","Cerulenin","","CC=CCC=CCCC(=O)C1C(O1)C(=O)N","GVEZIHKRYBHEFX-NQQPLRFYSA-N","5282054",NA,"PDBC00198","764755///116069","Present"
-"Kinetin riboside","","","","","","kinetin riboside","","","","","","","","","","","","","","kinetin riboside","","C1=COC(=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O","CAGLGYNQQSIUGX-UHFFFAOYSA-N","3832",NA,"PDBC00199","120958","Present"
-"Geldanamycin","","","","Geldanamycin","","","geldanamycin","","","","Geldanamycin","","","","","","","","","","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC","QTQAWLPCGQOSGP-KSRBKZBZSA-N","5288382",NA,"PDBC00200","","Present"
-"Teniposide","","","","","","teniposide","","teniposide","","","","","","","Teniposide","","","","Teniposide","Teniposide","teniposide","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O","NRUKOCRGYNPUPR-QBPJDGROSA-N","452548",TRUE,"PDBC00201","758255///122819///758667","Present"
-"Butyl 4-aminobenzoate","","","","","","","butamben","","","","","","","","","","","","","butesin","butamben","CCCCOC(=O)C1=CC=C(C=C1)N","IUWVALYLNVXWKX-UHFFFAOYSA-N","2482",NA,"PDBC00202","128464","Present"
-"Cephalotaxine","","","","","","","","","","","","","","Homoharringtonine","","","","","Homoharringtonine","cephalotaxine","","COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1O)OCO5","YMNCVRSYJBNGLD-UHFFFAOYSA-N","278679",NA,"PDBC00203","128487","Present"
-"ICRF-193","","","","ICRF-193","","","","","","","","","","","","","","","","","","CC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","OBYGAPWKTPDTAS-UHFFFAOYSA-N","115150",NA,"PDBC00204","","Present"
-"Fosfomycin","","","","","","fosfomycin","","","","","","","","","","","","","","","","CC1C(O1)P(=O)(O)O","YMDXZJFXQJVXBF-STHAYSLISA-N","446987",TRUE,"PDBC00205","","Absent"
-"GANT-61","","","","","","","","GANT-61","","","","","","GANT61","","","","","","GANT61","","CN(C)C1=CC=CC=C1CN2CCCN(C2C3=CC=NC=C3)CC4=CC=CC=C4N(C)C","KVQOGDQTWWCZFX-UHFFFAOYSA-N","421610",NA,"PDBC00206","136476","Present"
-"Triciribine","","","","Triciribine///API-2","","","","","","","","","","","","","","","","triciribine","triciribine","CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C(=N1)N","HOGVTUZUJGHKPL-HTVVRFAVSA-N","65399",NA,"PDBC00207","154020","Present"
-"Triptolide","","","","","","triptolide","","triptolide","","","","","","Triptolide","","","","","Triptolide","Triptolid","triptolide","CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C","DFBIRQPKNDILPW-CIVMWXNOSA-N","107985",NA,"PDBC00208","163062","Present"
-"Mebendazole","","","","Mebendazole","","","mebendazole","","","","","","","","","","","","Mebendazole","Mebendazole","mebendazole","COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3","OPXLLQIJSORQAM-UHFFFAOYSA-N","4030",TRUE,"PDBC00209","184849///757838","Present"
-"Parbendazole","","","","","","parbendazole","parbendazole","parbendazole","","","","","","","","","","","","helatac","parbendazole","CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC","YRWLZFXJFBZBEY-UHFFFAOYSA-N","26596",NA,"PDBC00210","256420","Present"
-"Idarubicin","","","","","","idarubicin","","","","","","","","","","","","","Idarubicin","Idarubicin","idarubicin","CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O","XDXDZDZNSLXDNA-TZNDIEGXSA-N","42890",TRUE,"PDBC00211","256439","Present"
-"Narciclasine","","","","","","narciclasine","","narciclasine","Narciclasine","","","","","","","","","","","narciclasine","","C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)O","LZAZURSABQIKGB-AEKGRLRDSA-N","72376",NA,"PDBC00212","266535","Present"
-"Simvastatin","","","","","","simvastatin","simvastatin","simvastatin","","","","","","Simvastatin","","","","","","Simvastatin","simvastatin","CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C","RYMZZMVNJRMUDD-HGQWONQESA-N","54454",TRUE,"PDBC00213","633782///758706","Present"
-"Prima-1","","","","","","PRIMA-1","","PRIMA-1","","","","","","","","","","","","prima-1","","C1CN2CCC1C(=O)C2(CO)CO","RFBVBRVVOPAAFS-UHFFFAOYSA-N","322968",NA,"PDBC00214","281668","Present"
-"Cyclosporin A","","","","","","ciclosporin","ciclosporin","ciclosporin","","","","","","","","","","","Cyclosporin A","NSC290193///NSC758194","cyclosporine///cyclosporin-a","CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C","PMATZTZNYRCHOR-IMVLJIQESA-N","5280754",NA,"PDBC00215","290193///758194","Present"
-"3',5-Diallyl-2,4'-biphenyldiol","","","","","","","","","","","","","","","","","","","HONOKIOL","HONOKIOL","","C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C","FVYXIJYOAGAUQK-UHFFFAOYSA-N","72303",NA,"PDBC00216","293100","Present"
-"Terreic acid","","","","","","","","","","","","","","","","","","","Terreic acid","Terreic acid","","CC1=C(C(=O)C2C(C1=O)O2)O","ATFNSNUJZOYXFC-RQJHMYQMSA-N","91437",NA,"PDBC00217","294734","Present"
-"Zebularine","","","","","","zebularine","","zebularine","","","","","","","","","","","","zebularine","","C1=CN(C(=O)N=C1)C2C(C(C(O2)CO)O)O","RPQZTTQVRYEKCR-JXMHAVLCSA-N","16760709",NA,"PDBC00218","309132","Present"
-"NSC-319726","","","","","","","","","","","","","","","NSC319726","","","","","Azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene] h...","NSC-319726","CC(=NNC(=S)N1CCC1)C2=CC=CC=N2","XDHBUMNIQRLHGO-UKTHLTGXSA-N","5351307",NA,"PDBC00219","319726","Present"
-"Eflornithine","","","","","","eflornithine","","","","","","","","","","","","","","dfmo hcl","","C(CC(C(F)F)(C(=O)O)N)CN","VLCYCQAOQCDTCN-UHFFFAOYSA-N","3009",TRUE,"PDBC00220","337250","Present"
-"Temozolomide","","","","","","","","temozolomide","","","Temozolomide","Temozolomide","Temozolomide","","Temozolomide","","","","Temozolomide","Temozolomide","temozolomide","CN1C(=O)N2C=NC(=C2N=N1)C(=O)N","BPEGJWRSRHCHSN-UHFFFAOYSA-N","5394",TRUE,"PDBC00221","362856","Present"
-"Fostamatinib","","","","","","","","","","","","","","","","","","","Piceatannol","NSC800102///Fostamatinib","","CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)(O)O)C","GKDRMWXFWHEQQT-UHFFFAOYSA-N","11671467",NA,"PDBC00222","800102///365798","Present"
-"N-Phthalyl-L-tryptophan","","","","","","RG-108","","RG-108","","","","","","","","","","","","RG-108///2-Isoindolineacetic acid, .alpha.-(3-indolylmethyl)-1,3-...","RG108","C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)O","HPTXLHAHLXOAKV-UHFFFAOYSA-N","344265",NA,"PDBC00223","783334///401077","Present"
-"1,3-Bis(2-chloroethyl)-1-nitrosourea","","","","","","","carmustine","","","","","","","","Carmustine","","","","","Carmustine","carmustine","C(CCl)NC(=O)N(CCCl)N=O","DLGOEMSEDOSKAD-UHFFFAOYSA-N","2578",NA,"PDBC00224","409962","Present"
-"Gallibiscoquinazole","","","","","","","","","","","","","","","Gallibiscoquinazole","","","","","Gallibiscoquinazole","","COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC","LZHVHZJESCMXKN-UHFFFAOYSA-N","353472",NA,"PDBC00225","601853","Present"
-"AM-580","","","","","","AM-580","","AM-580","","","","","","","","","","","","Benzoic acid,  4((5',5',8',8'-tetramethyl-5',6',7',8'-te...","AM-580","CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)C","SZWKGOZKRMMLAJ-UHFFFAOYSA-N","2126",NA,"PDBC00226","608001","Present"
-"Ch-55","","","","","","","","Ch-55","","","","","","","","","","","","3,5-Di-tert-butylchalcone","","CC(C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C(C)(C)C","FOUVTBKPJRMLPE-FMIVXFBMSA-N","6184667",NA,"PDBC00227","608002","Present"
-"Fascaplysine","","","","Fascaplysin","","","","","","","","","","","","","","","","fascaplysine","","C1=CC=C2C(=C1)C3=C(N2)C4=[N+](C=C3)C5=CC=CC=C5C4=O","WYQIPCUPNMRAKP-UHFFFAOYSA-O","73293",NA,"PDBC00228","622398","Present"
-"Fumonisin B(1)","","","","","","fumonisin B1","","fumonisin B1","","","","","","","","","","","","Fumonisin B1","","CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O","UVBUBMSSQKOIBE-UHFFFAOYSA-N","3431",NA,"PDBC00229","629151","Present"
-"NSC632839","","","","","","NSC632839","","NSC632839","","","","","","","","","","","","4-Piperidinone, 3,5-bis[(4-methylphenyl)methylene]-, hyd...","NSC-632839","CC1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)C)C2=O.Cl","ZOKZLTXPTLIWOJ-BYCVLTJGSA-N","5351362",NA,"PDBC00230","632839","Present"
-"o6-Benzylguanine","","","","","","","","O-6-benzylguanine","","","","","","","","","","","","O-6-Benzylguanine","","C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N","KRWMERLEINMZFT-UHFFFAOYSA-N","4578",NA,"PDBC00231","637037","Present"
-"quinoclamine","","","","","","quinoclamine","","","","","","","","","","","","","","Butanedioic acid, 2-[[2-[(3-chloro-1,4-dihydro-1,4-dioxo...","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N","OBLNWSCLAYSJJR-UHFFFAOYSA-N","17748",NA,"PDBC00232","642009","Present"
-"Rita","","","","","","RITA","","RITA","","","","","","","","","","","RITA","SOS BISMETHANOL","RITA","C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)CO)CO","KZENBFUSKMWCJF-UHFFFAOYSA-N","374536",TRUE,"PDBC00233","652287","Present"
-"Isoliquiritigenin","","","","","","isoliquiritigenin","butein","isoliquiritigenin","","","","","","","","","","","","","","C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O","DXDRHHKMWQZJHT-FPYGCLRLSA-N","638278",NA,"PDBC00234","","Present"
-"CHM-1","","","","","","CHM-1","","CHM-1","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(2-fluorophenyl)-","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CC=C4F","ZMYDAPJHGNEFGQ-UHFFFAOYSA-N","375860",NA,"PDBC00235","656158","Present"
-"NSC663284","","","","NSC663284","","","","","","","","","","","","","","","","7-N-(Aminoethyl-4-morpholino)-6-chloro-5,8-quinolinedione","NSC-663284","C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl","BMKPVDQDJQWBPD-UHFFFAOYSA-N","379077",NA,"PDBC00236","663284","Present"
-"Kenpaullone","","","","","","","","","","","","","","","","","","","Kenpaullone","Kenpaullone","kenpaullone","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br","QQUXFYAWXPMDOE-UHFFFAOYSA-N","3820",NA,"PDBC00237","664704","Present"
-"5-[(2,5-Dihydroxybenzyl)amino]-2-hydroxybenzoic acid","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-(2,5-dihydroxybenzylamino)benzoic acid","Lavendustin c","","C1=CC(=C(C=C1NCC2=C(C=CC(=C2)O)O)C(=O)O)O","LULATDWLDJOKCX-UHFFFAOYSA-N","3896",NA,"PDBC00238","666251","Present"
-"SN-38","","","","","","SN-38","","SN-38","","","SN-38","SN-38","SN-38 (irinotecan metabolite)","SN-38","SN-38","","","","","7-Ethyl-10-hydroxycamptothecin","SN-38","CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O","FJHBVJOVLFPMQE-QFIPXVFZSA-N","104842",NA,"PDBC00239","673596","Present"
-"PD98059","","","","PD98059","","","","","","","","","","","","","","","","PD-98059","PD-98059","COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2","QFWCYNPOPKQOKV-UHFFFAOYSA-N","4713",NA,"PDBC00240","679828","Present"
-"AG1478","","","","AG1478","","tyrphostin AG-1478","tyrphostin AG-1478","","","","","","","","","","","","","Tyrphostin AG 1478","tyrphostin-AG-1478","COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC","GFNNBHLJANVSQV-UHFFFAOYSA-N","2051",NA,"PDBC00241","693255","Present"
-"Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-","","","","","","","","","","","","","","","","","","","NITAZOXANIDE","Nitazoxanide///nitazoxanide","","CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]","YQNQNVDNTFHQSW-UHFFFAOYSA-N","41684",NA,"PDBC00242","697855///760057","Present"
-"Pemetrexed","","","","Pemetrexed","","pemetrexed","","","","","","","","Pemetrexed","Pemetrexed","","","","","Pemetrexed","","C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O","WBXPDJSOTKVWSJ-ZDUSSCGKSA-N","446556",TRUE,"PDBC00243","698037///755384","Present"
-"Austocystin D","","","","","","austocystin D","","austocystin D","","","","","","","","","","","","Austocystin D","","CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4(C=CO5)O)O)O","VXTQFTUOAJRUDO-IFMALSPDSA-N","5470400",NA,"PDBC00244","700893","Present"
-"Bardoxolone methyl","","","","","","","","bardoxolone methyl","","","","","","","","","","","","2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid///Bardoxolone Methyl","bardoxolone-methyl///bardoxolone","CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)OC)C","WPTTVJLTNAWYAO-KPOXMGGZSA-N","400769",NA,"PDBC00245","711193///713200","Present"
-"Oligomycin A","","","","","","oligomycin A","oligomycin","oligomycin A","Oligomycin A///OligomycinA","","","","","Oligomycin A","","","","","","Oligomycin A","oligomycin-a","CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C","MNULEGDCPYONBU-QECWTJOCSA-N","5472285",NA,"PDBC00246","717694","Present"
-"1-methyl-DL-tryptophan","","","","","","1-methyl-DL-tryptophan","","","","","","","","","","","","","","","","CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N","ZADWXFSZEAPBJS-UHFFFAOYSA-N","98112",NA,"PDBC00247","","Absent"
-"Belinostat","","","","","","","","belinostat","","","","Belinostat","","","Belinostat","","","","","Belinostat","belinostat","C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO","NCNRHFGMJRPRSK-MDZDMXLPSA-N","6918638",TRUE,"PDBC00248","758774///726630","Present"
-"Baicalein","","","","Baicalein","","","","","","","","","","","","","","","","5,6,7-Trihydroxyflavone","baicalein","C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O","FXNFHKRTJBSTCS-UHFFFAOYSA-N","5281605",NA,"PDBC00249","729192","Present"
-"Everolimus","","","","Everolimus","","","","","","","","","","","","","","Everolimus (rad 001) mTOR inh","Everolimus  ","Everolimus","everolimus","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC","HKVAMNSJSFKALM-GKUWKFKPSA-N","6442177",TRUE,"PDBC00250","733504","Present"
-"Sildenafil","","","","","","sildenafil","","sildenafil","","","","","","","","","","","","Sildenafil","","CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C","BNRNXUUZRGQAQC-UHFFFAOYSA-N","5212",TRUE,"PDBC00251","744009","Present"
-"Chaetocin","","","","","","chaetocin","","","","","","","","","","","","","","Chaetocin from Chaetomium minutum","","CN1C(=O)C23CC4(C(N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)C67CC89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C","PZPPOCZWRGNKIR-UHFFFAOYSA-N","161591",NA,"PDBC00252","745363","Present"
-"Pyr-41","","","","","","","","PYR-41","","","","","","","","","","","","pyr-41","","CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)N2","ARGIPZKQJGFSGQ-LCYFTJDESA-N","5335621",NA,"PDBC00253","746131","Present"
-"LDN-193189","","","","","","LDN-193189","","","","","","","","","LDN-193189","","","","","","","C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3","CDOVNWNANFFLFJ-UHFFFAOYSA-N","25195294",NA,"PDBC00254","","Present"
-"Ixabepilone","","","","Ixabepilone","","","","","","","","","","","","","","","","Ixabepilone","ixabepilone","CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C","FABUFPQFXZVHFB-PVYNADRNSA-N","6445540",TRUE,"PDBC00255","747973","Present"
-"Abiraterone","","","","","","","","abiraterone","","","","","Abiraterone","","","","","","","Abiraterone","abiraterone///abiraterone-acetate","CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)O","GZOSMCIZMLWJML-VJLLXTKPSA-N","132971",TRUE,"PDBC00256","749226///749227","Present"
-"CAY10618","","","","","","CAY10618","","CAY10618","","","","","","","","","","","","GPP78","","C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCCCCCCN3C=C(N=N3)C4=CN=CC=C4","SJOLTIOPWDLDEB-UHFFFAOYSA-N","44819697",NA,"PDBC00257","750421","Present"
-"nakiterpiosin","","","","","","nakiterpiosin","","nakiterpiosin","","","","","","","","","","","","Nakiterpiosin","","CC1CC(OC1=O)C(C(C2=C(C3=C(C=C2)C4CC(C56C(OCC(O5)CC6(C4C3=O)C)O)Br)C)C(Cl)Cl)O","ZZCVHHDIBFSYFY-JMQRXBQWSA-N","54613361",NA,"PDBC00258","750491","Present"
-"Nelarabine","","","","","","","","nelarabine","","","","","","","Nelarabine","","","","","Nelarabine","nelarabine","COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N","IXOXBSCIXZEQEQ-UHTZMRCNSA-N","3011155",TRUE,"PDBC00259","755985///686673","Present"
-"Methyl (5-propoxy-1H-benzimidazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","Oxibendazol","oxibendazole (usan)","oxibendazole","CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC","RAOCRURYZCVHMG-UHFFFAOYSA-N","4622",NA,"PDBC00260","758459","Present"
-"Penfluridol","","","","","","penfluridol","","","","","","","","","","","","","","penfluridol (usan)","penfluridol","C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F","MDLAAYDRRZXJIF-UHFFFAOYSA-N","33630",NA,"PDBC00261","759179","Present"
-"Vemurafenib","","","","","","","","PLX-4032","","","","","Vemurafenib","PLX4032","","","Vemurafenib (PLX-4032)","","Vemurafenib  ","Vemurafenib","vemurafenib","CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(C=C4)Cl)F","GPXBXXGIAQBQNI-UHFFFAOYSA-N","42611257",NA,"PDBC00262","761431///800964","Present"
-"Carboplatinum","","","","Carboplatin","","","","carboplatin","","","","","","Carboplatin","","","","","Carboplatin  ","","","","","38904",TRUE,"PDBC00263","","Present"
-"Oxaliplatin","","","","Oxaliplatin","","","","oxaliplatin","","","Oxaliplatin","","","Oxaliplatin","Oxaliplatin","","","","","Oxaliplatin","oxaliplatin","C1CCC(C(C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+4]","PCRKGXHIGVOZKB-BNTLRKBRSA-L","24197464",TRUE,"PDBC00264","266046","Present"
-"Tamoxifen","","","","Tamoxifen","","tamoxifen","tamoxifen","tamoxifen","","","","Tamoxifen","","","Tamoxifen","","","","Tamoxifen citrate","Tamoxifen","tamoxifen","[H+].[H+].[H+].CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O","FQZYTYWMLGAPFJ-OQKDUQJOSA-N","25010734",TRUE,"PDBC00265","180973///757345","Present"
-"Trichostatin.A","","","","Trichostatin A","","","trichostatin A","","","","","","","","Trichostatin A","","","","","","trichostatin-a","CC(\C=C(C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C","RTKIYFITIVXBLE-WKWSCTOISA-N","",NA,"PDBC00266","","Present"
-"Purvalanol A","","","","Purvalanol A","","","","","","","","","","","","","","","","","","CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n1","","456214",NA,"PDBC00267","","Present"
-"IKK.16","","","","IKK 16","","","","","","","","","","","","","","","","","IKK-16","O=C(N1CCC(CC1)N2CCCC2)c3ccc(Nc4nccc(n4)c5cc6ccccc6s5)cc3","","",NA,"PDBC00268","","Present"
-"TCS PIM-11","","","","TCS PIM-11","","","","","","","","","","","","","","","","","","","","1235170",NA,"PDBC00269","","Present"
-"ERKi II (FR180304)","","","","ERKi II (FR180304)///ERKi II","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00270","","Present"
-"L-779405","","","","L-779405","","","","","","","","","","","","","","","","","","C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)O","WXJLXRNWMLWVFB-UHFFFAOYSA-N","9950176",NA,"PDBC00271","","Absent"
-"Glycyl H1152","","","","Glycyl H1152","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00272","","Present"
-"XRP44X","","","","XRP44X","","","","","","","","","","","","","","","","","","CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4","NPHPNBGYPKBDDB-UHFFFAOYSA-N","10339779",NA,"PDBC00273","","Present"
-"TCS2312 dihydrochloride","","","","TCS2312 dihydrochloride","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00274","","Present"
-"Sigma AKT1-2 inhibitor","","","","Sigma AKT1-2 inhibitor///AKT1-2 inhibitor","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00275","","Present"
-"AS-252424","","","","AS-252424","","","","","","","","","","","","","","","","","","C1=CC(=C(C=C1F)O)C2=CC=C(O2)C=C3C(=O)NC(=O)S3","OYYVWNDMOQPMGE-SDQBBNPISA-N","11630874",NA,"PDBC00276","","Present"
-"FTase Inhibitor I","","","","FTase inhibitor I","","","","","","","","","","","","","","","","","","","","132887",NA,"PDBC00277","","Present"
-"Ibandronate sodium","","","","Ibandronate sodium salt","","","","","","","","","","","","","","","","","","","","23670359",NA,"PDBC00278","","Present"
-"SB-3CT","","","","SB-3CT","","","","","","","","","","","","","","","","","","C1C(S1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3","LSONWRHLFZYHIN-UHFFFAOYSA-N","9883002",NA,"PDBC00279","","Present"
-"NU6102","","","","NU6102","","","","","","","","","","","","","","","","","","C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N","OWXORKPNCHJYOF-UHFFFAOYSA-N","4566",NA,"PDBC00280","","Present"
-"Olomoucine II","","","","Olomoucine II","","","","","","","","","","","","","","","","olomoucine II, 6-[(2-hydroxybenzyl)amino]-2-[1-(hydroxym...","","","","10067756",NA,"PDBC00281","736738","Present"
-"Oxamflatin","","","","Oxamflatin","","","","","","","","","","","","","","","","","","C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC=CC(=O)NO","QRPSQQUYPMFERG-LFYBBSHMSA-N","5353852",NA,"PDBC00282","","Present"
-"Nirogacestat","","","","PF-3084014","","","","","","","","","","","","","","","","PF-03084014 diastereomer 1","","CCCC(C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)NC2CCC3=CC(=CC(=C3C2)F)F","VFCRKLWBYMDAED-REWPJTCUSA-N","46224413",NA,"PDBC00283","755926///754348","Present"
-"PF-03814735","","","","PF-3814735","","","","","","","","","","","","","","","","","PF-03814735","CC(=O)NCC(=O)N1C2CCC1C3=C2C=CC(=C3)NC4=NC=C(C(=N4)NC5CCC5)C(F)(F)F","RYYNGWLOYLRZLK-UHFFFAOYSA-N","49830590",NA,"PDBC00284","","Present"
-"PF-04691502","","","","PF-4691502","","","","","","","","","","","","","","","","PF-04691502","PF-04691502","CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCC(CC3)OCCO)C4=CN=C(C=C4)OC","XDLYKKIQACFMJG-UHFFFAOYSA-N","25033539",NA,"PDBC00285","760536///800846","Present"
-"Uprosertib","","","","GSK2141795","","","","","","","","","","","Uprosertib","","","","","GSK-2141795///Uprosertib","uprosertib","CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)NC(CC3=CC(=C(C=C3)F)F)CN)Cl","AXTAPYRUEKNRBA-JTQLQIEISA-N","51042438",NA,"PDBC00286","778368///800960","Present"
-"CGC-11047 free base","","","","CGC-11047///private_company_drug_8648","","","","","","","","","","","","","","","","","","CCNCCCNCC=CCNCCCNCC","XFWLTFZLLXVKDY-WAYWQWQTSA-N","6475492",NA,"PDBC00287","","Present"
-"Ispinesib","","","","Ispinesib///private_company_drug_7463","","","","","","","","Ispinesib Mesylate","","","Ispinesib Mesylate","","","","","Ispinesib","ispinesib","CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C","QJZRFPJCWMNVAV-HHHXNRCGSA-N","6851740",NA,"PDBC00288","755386","Present"
-"GSK1059868","","","","GSK1059868","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00289","","Absent"
-"GSK2119563","","","","GSK2119563","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00290","","Absent"
-"Omipalisib","","","","GSK2126458///private_company_drug_8271","","","","","","","","GSK2126458","","","Omipalisib","","","","","Omipalisib///GSK-2126458","GSK2126458","COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F","CGBJSGAELGCMKE-UHFFFAOYSA-N","25167777",NA,"PDBC00291","800807///764092","Present"
-"CGC-11144","","","","CGC-11144","","","","","","","","","","","","","","","","","","CCNCCCCNCCCCNCCCCNCCCCNCC=CCNCCCCNCCCCNCCCCNCCCCNCC","BDTMNIXVRYGYPA-QURGRASLSA-N","6476700",NA,"PDBC00292","","Absent"
-"Tykerb:IGF1R (1:1)","","","","Tykerb:IGF1R (1:1)///Tykerb:IGF1R","","","","","","","","","","","","","","","","","","","","",NA,"PDBC00293","","Absent"
-"Pevonedistat","","","","MLN4924///private_company_drug_3104","","MLN-4924","","pevonedistat","","","","MLN4924","","MLN-4924","Pevonedistat","","","","","Pevonedistat","pevonedistat","C1CC2=CC=CC=C2C1NC3=NC=NC4=C3C=CN4C5CC(C(C5)O)COS(=O)(=O)N","MPUQHZXIXSTTDU-ZIODWWTISA-N","71729979",NA,"PDBC00294","761192","Present"
-"PD901","","","","","PD901","","","","","","","","","","","","","","","","","","","",NA,"PDBC00295","","Absent"
-"Apitolisib","","","","","GDC-0980","","","","","","","","","","Apitolisib","","","","","Apitolisib","GDC-0980","CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O","YOVVNQKCSKSHKT-HNNXBMFYSA-N","25254071",NA,"PDBC00296","764091///799334","Present"
-"Cobimetinib","","","","","GDC-0973","","","","","","","","","","","","","","","Cobimetinib///Cobimetinib (isomer 1)","cobimetinib","C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O","BSMCAPRUBJMWDF-KRWDZBQOSA-N","16222096",NA,"PDBC00297","800075///768068","Present"
-"Importazole","","","","","","importazole","","importazole","","","","","","","","","","","","","","CC(Nc1nc(nc2ccccc12)N3CCCC3)c4ccccc4","","2949965",NA,"PDBC00298","","Present"
-"trans-C 75","","","","","","trans-C 75","","","","","","","","","","","","","","","","","","6482234",NA,"PDBC00299","","Absent"
-"Maraviroc","","","","","","maraviroc","","","","","","","","","","","","","","","","CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C","GSNHKUDZZFZSJB-HLMSNRGBSA-N","3002977",TRUE,"PDBC00300","","Absent"
-"DL-TBOA","","","","","","DL-TBOA","","","","","","","","","","","","","","","","C1=CC=C(C=C1)COC(C(C(=O)O)N)C(=O)O","BYOBCYXURWDEDS-UHFFFAOYSA-N","4133412",NA,"PDBC00301","","Absent"
-"Orteronel","","","","","","orteronel","","","","","","","","","","","","","","Orteronel","","CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O","OZPFIJIOIVJZMN-SFHVURJKSA-N","9796590",NA,"PDBC00302","764488","Present"
-"ML037","","","","","","ML037","","","","","","","","","","","","","","","","CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2","AGQNVTZMIXEHKC-UHFFFAOYSA-N","2878746",NA,"PDBC00303","","Absent"
-"Bax Channel Blocker","","","","","","Bax channel blocker","","Bax channel blocker","","","","","","","","","","","","","","OC(CN1CCNCC1)Cn2c3ccc(Br)cc3c4cc(Br)ccc24","","2729026",NA,"PDBC00304","","Present"
-"CCT036477","","","","","","CCT036477","","CCT036477","","","","","","","","","","","","","","CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)Cl)NC4=CC=CC=N4","IFOHRIXRQPOHQZ-UHFFFAOYSA-N","3634881",NA,"PDBC00305","","Present"
-"BRD4354","","","","","","BRD4354","","","","","","","","","","","","","","","","","","3516032",NA,"PDBC00306","","Absent"
-"Erastin","","","","","","erastin","erastin","erastin","Erastin","","","","","","","","","","","","erastin","CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl","BKQFRNYHFIQEKN-UHFFFAOYSA-N","11214940",NA,"PDBC00307","","Present"
-"Unii-772CP7W12N","","","","","","YM-022","","","","","","","","","","","","","","","","CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5=CC=CC=C5C","YCXFHPUBGMMWJQ-PMERELPUSA-N","122130",NA,"PDBC00308","","Absent"
-"OSW-1","","","","","","OSW-1","","","","","","","","","","","","","","","","CC(C)CCC(=O)C(C)C1(C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)C)O","MPXTYZZFIJTPPA-MKQTXCTDSA-N","9854230",NA,"PDBC00309","","Absent"
-"racemic-2,4-dideoxy-DC-45-A2","","","","","","racemic-2,4-dideoxy-DC-45-A2","","","","","","","","","","","","","","","","","","",NA,"PDBC00310","","Absent"
-"Itraconazole","","","","","","itraconazole","","itraconazole","","","","","","","","","","","","Itraconazole","itraconazole","CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl","VHVPQPYKVGDNFY-TUJWMRSMSA-N","14179013",TRUE,"PDBC00311","754771","Present"
-"ML162","","","","","","ML162","","ML162","","","","","","","","","","","","","","COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl","UNVKYJSNMVDZJE-UHFFFAOYSA-N","3689413",NA,"PDBC00312","","Present"
-"necrostatin-1","","","","","","necrostatin-1","","necrostatin-1","","","","","","","","","","","","","","CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32","TXUWMXQFNYDOEZ-UHFFFAOYSA-N","2828334",NA,"PDBC00313","","Present"
-"PK-11195","","","","","","PK-11195","","","","","","","","","","","","","","","","CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl","RAVIZVQZGXBOQO-UHFFFAOYSA-N","1345",NA,"PDBC00314","","Absent"
-"Zileuton","","","","","","zileuton","","","","","","","","","","","","","","","","CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O","MWLSOWXNZPKENC-UHFFFAOYSA-N","60490",TRUE,"PDBC00315","","Absent"
-"PX-12","","","","","","PX-12","","PX-12","","","","","","PX-12","","","","","","","","CCC(C)SSC1=NC=CN1","BPBPYQWMFCTCNG-UHFFFAOYSA-N","219104",NA,"PDBC00316","","Present"
-"ethylidene glucose","","","","","","ethylidene glucose","","","","","","","","","","","","","","","","","","93075",NA,"PDBC00317","","Absent"
-"Nimodipine","","","","","","nimodipine","nimodipine","","","","","","","","","","","","","","","CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC","UIAGMCDKSXEBJQ-UHFFFAOYSA-N","4497",TRUE,"PDBC00318","","Absent"
-"YK 4-279","","","","","","YK 4-279","","YK 4-279","","","","YK 4-279","","","YK-4-279","","","","","YK-4-279","","COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl","","",NA,"PDBC00319","765436","Present"
-"salermide","","","","","","salermide","","salermide","","","","","","","","","","","","","","CC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)NC=C3C(=O)C=CC4=CC=CC=C43","UADRPWLRVLBVBC-UHFFFAOYSA-N","53393948",NA,"PDBC00320","","Present"
-"Isoevodiamine","","","","","","isoevodiamine","","isoevodiamine","","","","","","","","","","","","","","CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3","TXDUTHBFYKGSAH-UHFFFAOYSA-N","151289",NA,"PDBC00321","","Present"
-"Lovastatin acid","","","","","","lovastatin acid","","","","","","","","","","","","","","","","","","64727",NA,"PDBC00322","","Absent"
-"Glu-boroPro","","","","","","PT-630","","","","","","","","","","","","","","","","P","XYFCBTPGUUZFHI-UHFFFAOYSA-N","24404",NA,"PDBC00323","","Absent"
-"2-deoxyglucose","","","","2-deoxy-D-glucose","","2-deoxyglucose","2-deoxy-D-glucose","","","","","","","2-deoxy-glucose","","","","","","","","C(C=O)C(C(C(CO)O)O)O","VRYALKFFQXWPIH-PBXRRBTRSA-N","108223",NA,"PDBC00324","","Present"
-"erastin-A8","","","","","","erastin-A8","","","","","","","","","","","","","","","","","","",NA,"PDBC00325","","Absent"
-"Compound 44","","","","","","Compound 44","","","","","","","","","","","","","","","","","","",NA,"PDBC00326","","Absent"
-"Blebbistatin","","","","","","blebbistatin","blebbistatin","blebbistatin","","","","","","","","","","","","","blebbistatin-(-)","CC1=CC2=C(C=C1)N=C3C(C2=O)(CCN3C4=CC=CC=C4)O","LZAXPYOBKSJSEX-UHFFFAOYSA-N","3476986",NA,"PDBC00327","","Present"
-"Myriocin","","","","","","myriocin","","myriocin","","","","","","","","","","","","","","CCCCCCC(=O)CCCCCCC=CCC(C(C(CO)(C(=O)[O-])[NH3+])O)O","ZZIKIHCNFWXKDY-OZKYFCMZSA-N","25791047",NA,"PDBC00328","","Present"
-"ML050","","","","","","ML050","","ML050","","","","","","","","","","","","","","C1C=CC2C1C(NC3=CC=CC=C23)C4=CC5=C(C=C4Br)OCO5","YOLTZIVRJAPVPH-UHFFFAOYSA-N","3136844",NA,"PDBC00329","","Present"
-"ML038","","","","","","ML038","","","","","","","","","","","","","","","","C1C=CCC2C1C(=O)N(C2=O)C3=NNC(=N3)C4=CC=CC=C4","MIQGMTKINBACMG-UHFFFAOYSA-N","2946732",NA,"PDBC00330","","Absent"
-"FQI-1","","","","","","FQI-1","","FQI-1","","","","","","","","","","","","","","CCOC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCO4","YKSYGLXHLSPWLB-UHFFFAOYSA-N","656346",NA,"PDBC00331","","Present"
-"2-Fluoropalmitic acid","","","","","","2-fluoropalmitic acid","","","","","","","","","","","","","","","","CCCCCCCCCCCCCCC(F)C(=O)O","","1560",NA,"PDBC00332","","Absent"
-"Rosiglitazone","","","","","","rosiglitazone","rosiglitazone","","","","","","","Rosiglitazone","","","","","","","","CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3","YASAKCUCGLMORW-UHFFFAOYSA-N","77999",TRUE,"PDBC00333","","Absent"
-"cyanoquinoline 11","","","","","","cyanoquinoline 11","","cyanoquinoline 11","","","","","","","","","","","","","","Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl","","",NA,"PDBC00334","","Present"
-"AG14361","","","","","","AG14361","","","","","","","","","","","","","","","AG-14361","CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O","SEKJSSBJKFLZIT-UHFFFAOYSA-N","9840076",NA,"PDBC00335","","Present"
-"Tubastatin A","","","","","","tubastatin A","","tubastatin A","","","","Tubastatin A","","","Tubastatin A","","","","","","","CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO","","49850262",NA,"PDBC00336","","Present"
-"Sparfosic acid","","","","","","sparfosic acid","","","","","","","","","","","","","","","","OC(=O)C[C@H](NC(=O)CP(O)(O)=O)C(O)=O","","39981",NA,"PDBC00337","","Absent"
-"3-Fluoro-2-oxopropanoic acid","","","","","","fluoropyruvate","","","","","","","","","","","","","","","","C(C(=O)C(=O)O)F","CXABZTLXNODUTD-UHFFFAOYSA-N","67946",NA,"PDBC00338","","Absent"
-"RS-23597-190","","","","","","RS-23597-190","","","","","","","","","","","","","","","","COC1=CC(=C(C=C1C(=O)OCCCN2CCCCC2)Cl)N.Cl","QLZLBYYNMGQIAR-UHFFFAOYSA-N","182592",NA,"PDBC00339","","Absent"
-"ML210","","","","","","ML210","","ML210","","","","","","","","","","","","","","","","",NA,"PDBC00340","","Present"
-"3-chloro-L-alanine","","","","","","3-chloro-L-alanine","","","","","","","","","","","","","","","","C(C(C(=O)O)N)Cl","ASBJGPTTYPEMLP-REOHCLBHSA-N","439772",NA,"PDBC00341","","Absent"
-"BMS-299897","","","","","","BMS-299897","","","","","","","","","","","","","","BMS-299897","","CC(C1=C(C=C(C=C1)F)CCCC(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl","IZAOBRWCUGOKNH-OAHLLOKOSA-N","11249248",NA,"PDBC00342","762672","Present"
-"Compound 110","","","","","","Compound 110","","","","","","","","","","","","","","","","","","",NA,"PDBC00343","","Absent"
-"7-nitroindazole","","","","","","7-nitroindazole","","","","","","","","","","","","","","","7-nitroindazole","C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2","PQCAUHUKTBHUSA-UHFFFAOYSA-N","1893",NA,"PDBC00344","","Present"
-"Merck60","","","","","","Merck60","","Merck60","","","","","","","","","","","","","","CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3","","",NA,"PDBC00345","","Present"
-"BIBR-1532","","","","","","BIBR-1532","","BIBR-1532","","","","","","","BIBR-1532","","","","","","BIBR-1532","CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2","PGFQXGLPJUCTOI-WYMLVPIESA-N","9927531",NA,"PDBC00346","","Present"
-"CIL41","","","","","","CIL41","","CIL41","","","","","","","","","","","","","","","","",NA,"PDBC00347","","Present"
-"ML030","","","","","","ML030","","","","","","","","","","","","","","","","","","17757146",NA,"PDBC00348","","Absent"
-"HA 1004, Dihydrochloride","","","","","","HA-1004","","","","","","","","","","","","","","","","C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N","MZNDNBFMSVMUCX-UHFFFAOYSA-N","3546",NA,"PDBC00349","","Absent"
-"BRD9647","","","","","","BRD9647","","BRD9647","","","","","","","","","","","","","","","","1242560",NA,"PDBC00350","","Present"
-"PDMP","","","","","","PDMP","","PDMP","","","","","","","","","","","","","","CCCCCCCCCC(=O)NC(CN1CCOCC1)C(C)C2=CC=CC=C2.Cl","XYHOHWPFEWJKOG-UHFFFAOYSA-N","114736",NA,"PDBC00351","","Present"
-"Ubistatin B","","","","","","ubistatin B","","","","","","","","","","","","","","","","","","44145497",NA,"PDBC00352","","Absent"
-"LE-135","","","","","","LE-135","","LE-135","","","","","","","","","","","","","LE-135","CC1(CCC(C2=CC3=C(C=C21)N=C(C4=CC=CC=C4N3C)C5=CC=C(C=C5)C(=O)O)(C)C)C","YZZAIQOVMHVWBS-UHFFFAOYSA-N","10410894",NA,"PDBC00353","","Present"
-"Alda-1","","","","","","Alda-1","","","","","","","","","","","","","","","","C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC=C3Cl)Cl","NMKJFZCBCIUYHI-UHFFFAOYSA-N","831629",NA,"PDBC00354","","Absent"
-"AA-COCF3","","","","","","AA-COCF3","arachidonyltrifluoromethane","AA-COCF3","","","","","","","","","","","","","","CCCCCC=CCC=CCC=CCC=CCCCC(=O)C(F)(F)F","PLWROONZUDKYKG-DOFZRALJSA-N","5280436",NA,"PDBC00355","","Present"
-"BRD1566","","","","","","BRD1566","","","","","","","","","","","","","","","","","","44484545",NA,"PDBC00356","","Absent"
-"SID 26681509","","","","","","SID 26681509","","SID 26681509","","","","","","","","","","","","","","CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C","","16725315",NA,"PDBC00357","","Present"
-"Tacrolimus","","","","","","tacrolimus","tacrolimus","tacrolimus","","","","","","","","","","","","Tacrolimus","tacrolimus","CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC","QJJXYPPXXYFBGM-LFZNUXCKSA-N","445643",TRUE,"PDBC00358","755767","Present"
-"KU 0060648","","","","","","KU 0060648","","KU 0060648","","","","","","","","","","","","","","CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1","","",NA,"PDBC00359","","Present"
-"m-3M3-FBS","","","","","","m-3M3-FBS","","","","","","","","","","","","","","","","CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C","ZIIUUSVHCHPIQD-UHFFFAOYSA-N","761523",NA,"PDBC00360","","Absent"
-"FGIN-1-27","","","","","","FGIN-1-27","","FGIN-1-27","","","","","","","","","","","","","","CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F","VUWXAQFLTSBUDB-UHFFFAOYSA-N","132496",NA,"PDBC00361","","Present"
-"PRL-3 Inhibitor I","","","","","","PRL-3 Inhibitor I","","PRL-3 inhibitor I","","","","","","","","","","","","","","Brc1ccc(OCc2ccccc2Br)c(/C=C\3/SC(=S)NC3=O)c1","","11983303",NA,"PDBC00362","","Present"
-"BRD2762","","","","","","BRD2762","","","","","","","","","","","","","","","","CCC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=N4","AYLNNOFJYOLIGI-UHFFFAOYSA-N","2965939",NA,"PDBC00363","","Absent"
-"Avrainvillamide","","","","","","avrainvillamide","","avrainvillamide","","","","","","","","","","","","","","CC1(C=CC2=C(O1)C=CC3=C2[N+](=C4C3=CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)[O-])C","ALXLLOQTGLPCFG-ATANMQQVSA-N","11719255",NA,"PDBC00364","","Present"
-"GW-405833","","","","","","GW-405833","","GW-405833","","","","","","","","","","","","","GW-405833","CC1=C(C2=C(N1C(=O)C3=C(C(=CC=C3)Cl)Cl)C=CC(=C2)OC)CCN4CCOCC4","FSFZRNZSZYDVLI-UHFFFAOYSA-N","9911463",NA,"PDBC00365","","Present"
-"RAD51 inhibitor B02","","","","","","B02","","B02","","","","","","","","","","","","","","CC1=CC=CC(=C1)C2=CC=C(C=C2)C3CC3C4=CC(=O)N(C(=N4)N)C","STUBOTPNCNDBOA-ROUUACIJSA-N","66545744",NA,"PDBC00366","","Present"
-"SR-II-138A","","","","","","SR-II-138A","","SR-II-138A","","","","","","","","","","","","","","","","",NA,"PDBC00367","","Present"
-"BRD0476","","","","","","BRD0476","","","","","","","","","","","","","","","","CC(C)(C)OC(=O)N1CC(C1)OCC(=O)O","ASFSRFQPUZSIQT-UHFFFAOYSA-N","40429408",NA,"PDBC00368","","Absent"
-"CIL56","","","","","","CIL56","","CIL56","","","","","","","","","","","","2,7-bis(piperidin-1-ylsulfonyl)-9H-fluoren-9-one oxime","","","","654092",NA,"PDBC00369","785526","Present"
-"PJ 34","","","","","","PJ 34","","","","","","","","","","","","","","","PJ-34","CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1","","",NA,"PDBC00370","","Present"
-"6-NBDG","","","","","","6-NBDG","","","","","","","","","","","","","","","","C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NC3C(C(C(OC3O)CO)O)O","GVEBOQDOPLERMC-BGCUHRRXSA-N","11859095",NA,"PDBC00371","","Absent"
-"Fedratinib","","","","","","TG-101348","","TG-101348","","","","TG101348","","","Fedratinib","","TG101348","","","Fedratinib","TG-101348","CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4","JOOXLOJCABQBSG-UHFFFAOYSA-N","16722836",NA,"PDBC00372","767600///800099","Present"
-"4-methylfasudil","","","","","","4-methylfasudil","","","","","","","","","","","","","","","","","","",NA,"PDBC00373","","Absent"
-"XAV-939","","","","","","XAV-939","","","","","","XAV939","","XAV-939","XAV939","","XAV-939","","","XAV-939","","C1CSCC2=C1NC(=NC2=O)C3=CC=C(C=C3)C(F)(F)F","KLGQSVMIPOVQAX-UHFFFAOYSA-N","2726824",NA,"PDBC00374","755761","Present"
-"Valdecoxib","","","","","","valdecoxib","valdecoxib","valdecoxib","","","","","","","","","","","","","","CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N","LNPDTQAFDNKSHK-UHFFFAOYSA-N","119607",TRUE,"PDBC00375","","Present"
-"LY-2365109","","","","","","LY-2365109","","","","","","","","","","","","","","","","CC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)OCCN(C)CC(=O)O","FKPLJWGRBCQLTL-UHFFFAOYSA-N","11552757",NA,"PDBC00376","","Absent"
-"BRD6368","","","","","","BRD6368","","","","","","","","","","","","","","","","","","",NA,"PDBC00377","","Absent"
-"Minoxidil","","","","","","minoxidil","minoxidil","","","","","","","","","","","","","","","C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O","ZIMGGGWCDYVHOY-UHFFFAOYSA-N","4201",TRUE,"PDBC00378","","Absent"
-"Phloretin","","","","","","phloretin","","phloretin","","","","","","","","","","","","PHLORETIN","","CC(=O)C1=C(C=C(C=C1O)OC)O","GKSGTWUNURZTKD-UHFFFAOYSA-N","24135",NA,"PDBC00379","401443","Present"
-"Compound 4","","","","","","Compound 4","","","","","","","","","","","","","","","","","","",NA,"PDBC00380","","Absent"
-"Gly-Gly-PALO","","","","","","Gly-Gly-PALO","","","","","","","","","","","","","","","","C(CC(C(=O)O)NC(=O)CNC(=O)CN)CNC(=O)CP(=O)(O)O","AVSPMOKNUVRQBF-ZETCQYMHSA-N","172813",NA,"PDBC00381","","Absent"
-"SCH-79797","","","","","","SCH-79797","","SCH-79797","","","","","","","","","","","","","","CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)NC5CC5)N.Cl.Cl","NNJTXSQXGHYXAJ-UHFFFAOYSA-N","45073452",NA,"PDBC00382","","Present"
-"HLI 373","","","","","","HLI 373","","HLI 373","","","","","","","","","","","","","","CN(C)CCCNc1c2ccccc2n(C)c2nc(=O)n(C)c(=O)c12","","435678",NA,"PDBC00383","","Present"
-"Indisulam","","","","","","indisulam","","indisulam","","","","","","","","","","","","","indisulam","C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl","SETFNECMODOHTO-UHFFFAOYSA-N","216468",NA,"PDBC00384","","Present"
-"Compound 10b","","","","","","Compound 10b","","","","","","","","","","","","","","","","","","",NA,"PDBC00385","","Absent"
-"ML052","","","","","","ML052","","","","","","","","","","","","","","","","CCCN(CCC)CCNC(=O)C1CCN(CC1)CC2=C(OC(=N2)C3=CC=C(C=C3)Cl)C","DJAFUYUUNCOPGL-UHFFFAOYSA-N","3240581",NA,"PDBC00386","","Absent"
-"Dalcetrapib","","","","","","dalcetrapib","","","","","","","","","","","","","","","dalcetrapib","CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C","YZQLWPMZQVHJED-UHFFFAOYSA-N","6918540",NA,"PDBC00387","","Present"
-"leucascandrolide A","","","","","","leucascandrolide A","","","","","","","","","","","","","","(-)-Leucascandrolide A///(+)-Leucascandrolide A","","","","10818492",NA,"PDBC00388","727719///727718","Present"
-"(-)-gallocatechin-3-monogallate","","","","","","(-)-gallocatechin-3-monogallate","","","","","","","","","","","","","","","","","","",NA,"PDBC00389","","Absent"
-"BRD6430","","","","","","BRD6430","","","","","","","","","","","","","","","","","","",NA,"PDBC00390","","Absent"
-"Telomerase Inhibitor IX","","","","","","MST-312","","MST-312","","","","","","","Telomerase Inhibitor IX","","","","","","","C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O","MIQUEZGHEJGPJB-UHFFFAOYSA-N","10385095",NA,"PDBC00391","","Present"
-"CIL70","","","","","","CIL70","","CIL70","","","","","","","","","","","","","","C1=CC(=C2NC(=C3C=CC=CC3=O)N(N2)C4=CC=C(C=C4)C(=O)O)C(=O)C=C1","FMSOAWSKCWYLBB-VBGLAJCLSA-N","5493381",NA,"PDBC00392","","Present"
-"R406 (Free base)","","","","","","tamatinib","","tamatinib","","","","","","","","","","","","R-406///r406","","CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C","NHHQJBCNYHBUSI-UHFFFAOYSA-N","11213558",NA,"PDBC00393","800858///772498","Present"
-"BRD6150","","","","","","BRD6150","","","","","","","","","","","","","","","","","","",NA,"PDBC00394","","Absent"
-"SKI-II","","","","","","SKI-II","","SKI-II","","","","","","","","","","","","","SKI-II","C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)Cl","ZFGXZJKLOFCECI-UHFFFAOYSA-N","753704",NA,"PDBC00395","","Present"
-"Ro-28-1675","","","","","","Ro-28-1675","","","","","","","","","","","","","","","","CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=CS3","NEQSWPCDHDQINX-MRXNPFEDSA-N","9886086",NA,"PDBC00396","","Absent"
-"BRD4046","","","","","","BRD4046","","","","","","","","","","","","","","","","","","",NA,"PDBC00397","","Absent"
-"BRD8899","","","","","","BRD8899","","BRD8899","","","","","","","","","","","","","","","","",NA,"PDBC00398","","Present"
-"Lexibulin","","","","","","CYT-997","","","","","","","","","","","","","","Lexibulin","CYT-997","CCCC(C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC","MTJHLONVHHPNSI-IBGZPJMESA-N","11351021",NA,"PDBC00399","758488","Present"
-"CR-1-31B","","","","","","CR-1-31B","","CR-1-31B","","","","","","","","","","","","","","[Cr]","VYZAMTAEIAYCRO-UHFFFAOYSA-N","23976",NA,"PDBC00400","","Present"
-"1S,3R-RSL-3","","","","","","1S,3R-RSL-3","","1S,3R-RSL-3","","","","","","","","","","","","","","","","",NA,"PDBC00401","","Present"
-"Piperlongumine","","","","","","piperlongumine","piperlongumine","piperlongumine","","","","piperlongumine","","Piperlongumine","Piperlongumine","","","","","Piperlongumine","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O","VABYUUZNAVQNPG-BQYQJAHWSA-N","637858",NA,"PDBC00402","794671","Present"
-"SCH-529074","","","","","","SCH-529074","","SCH-529074","","","","","","","","","","","","","","CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","NCAJLQDPTZBGJV-UHFFFAOYSA-N","12001922",NA,"PDBC00403","","Present"
-"4-IPP","","","","","","4-IPP","","","","","","","","","","","","","","","4-iodo-6-phenylpyrimidine","C1=CC=C(C=C1)C2=CC(=NC=N2)I","ZTCJXHNJVLUUMR-UHFFFAOYSA-N","817368",NA,"PDBC00404","","Present"
-"CD-1530","","","","","","CD-1530","","CD-1530","","","","","","","","","","","","","","C1=CC(=NC(=C1F)Cl)Cl","YAXSIJLRAOURJK-UHFFFAOYSA-N","13290751",NA,"PDBC00405","","Present"
-"BRD2649","","","","","","BRD2649","","","","","","","","","","","","","","","","","","",NA,"PDBC00406","","Absent"
-"BIX-01294","","","","","","BIX-01294","","BIX-01294","","","","","","","","","","","","BIX-01294","BIX-01294","CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)OC)OC","OSXFATOLZGZLSK-UHFFFAOYSA-N","25150857",NA,"PDBC00407","777571","Present"
-"BIX-01338","","","","","","BIX-01338","","","","","","","","","","","","","","","","COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCN3C4=C(C=C(C=C4)C(=O)O)N=C3NC(=O)C5=CC=C(C=C5)C(F)(F)F","OWNQZZTXPWICRQ-UHFFFAOYSA-N","56676725",NA,"PDBC00408","","Absent"
-"ML007","","","","","","ML007","","","","","","","","","","","","","","","","CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3)OCC","MMKXHTDCKLZHIM-UHFFFAOYSA-N","976135",NA,"PDBC00409","","Absent"
-"Flutamide","","","","","","flutamide","flutamide","","","","","","","","","","","","","","flutamide","CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F","MKXKFYHWDHIYRV-UHFFFAOYSA-N","3397",TRUE,"PDBC00410","","Present"
-"BRD6825","","","","","","BRD6825","","","","","","","","","","","","","","","","","","",NA,"PDBC00411","","Absent"
-"CD-437","","","","","","CD-437","","CD-437","","","","","","","","","","","","","CD-437","CC1=CC(=CC(=C1OC)C)C=O","SNIGEINPLSDHBQ-UHFFFAOYSA-N","2758573",NA,"PDBC00412","","Present"
-"Compound 1541A","","","","","","Compound 1541A","","Compound 1541A","","","","","","","","","","","","","","","","",NA,"PDBC00413","","Present"
-"PP-30","","","","","","PP-30","","","","","","","","","","","","","","","","PP","VURFVHCLMJOLKN-UHFFFAOYSA-N","139283",NA,"PDBC00414","","Absent"
-"BRD2572","","","","","","BRD2572","","","","","","","","","","","","","","","","","","",NA,"PDBC00415","","Absent"
-"VER-155008","","","","","","VER-155008","","VER-155008","","","","","","","","","","","","","","C1=CC(=CC=C1COCC2C(C(C(O2)N3C4=C(C(=NC=N4)N)N=C3NCC5=CC(=C(C=C5)Cl)Cl)O)O)C#N","ZXGGCBQORXDVTE-UMCMBGNQSA-N","25195348",NA,"PDBC00416","","Present"
-"Etomoxir","","","","","","etomoxir","","etomoxir","","","","","","","","","","","","","etomoxir","CCOC(=O)C1(CO1)CCCCCCOC2=CC=C(C=C2)Cl","DZLOHEOHWICNIL-UHFFFAOYSA-N","123823",NA,"PDBC00417","","Present"
-"AGK-2","","","","","","AGK-2","","AGK-2","","","","","","","","","","","","","","C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N","SVENPFFEMUOOGK-SDNWHVSQSA-N","2130404",NA,"PDBC00418","","Present"
-"BRD8418","","","","","","BRD8418","","","","","","","","","","","","","","","","","","",NA,"PDBC00419","","Absent"
-"Unii-1844425clp","","","","","","DG-041","","","","","","","","","","","","","","","","CC1=CN(C2=C(C=C(C=C12)F)C=CC(=O)NS(=O)(=O)C3=CC(=C(S3)Cl)Cl)CC4=C(C=C(C=C4)Cl)Cl","BFBTVZNKWXWKNZ-HWKANZROSA-N","11296282",NA,"PDBC00420","","Absent"
-"n5-Iminoethyl-l-ornithine","","","","","","N5-iminoethyl-L-ornithine","","","","","","","","","","","","","","","","CC(=NCCCC(C(=O)O)N)N","UYZFAUAYFLEHRC-LURJTMIESA-N","107984",NA,"PDBC00421","","Absent"
-"FQI-2","","","","","","FQI-2","","FQI-2","","","","","","","","","","","","","","","","",NA,"PDBC00422","","Present"
-"BRD6340","","","","","","BRD6340","","BRD6340","","","","","","","","","","","","","","","","1641662",NA,"PDBC00423","","Present"
-"Darinaparsin","","","","","","darinaparsin","","darinaparsin","","","","","","","","","","","","","","C[As](C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","JGDXFQORBMPJGR-YUMQZZPRSA-N","11683005",NA,"PDBC00424","","Present"
-"NPC-26","","","","","","NPC-26","","NPC-26","","","","","","","","","","","","","","","","",NA,"PDBC00425","","Present"
-"Glyburide","","","","","","glibenclamide","glibenclamide","","","","","","","","","","","","","","","COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3","ZNNLBTZKUZBEKO-UHFFFAOYSA-N","3488",NA,"PDBC00426","","Absent"
-"LY-2183240","","","","","","LY-2183240","","LY-2183240","","","","","","","","","","","","","LY2183240","CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3","GZNIYOXWFCDBBJ-UHFFFAOYSA-N","11507802",NA,"PDBC00427","","Present"
-"BRD2662","","","","","","BRD2662","","","","","","","","","","","","","","","","","","877874",NA,"PDBC00428","","Absent"
-"T-5345967","","","","","","T-5345967","","","","","","","","","","","","","","","","Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc3ccccc3","JRESCQKIRPOOEM-UHFFFAOYSA-N","",NA,"PDBC00429","","Absent"
-"BRD9571","","","","","","BRD9571","","","","","","","","","","","","","","","","CC(C)(C)OC(=O)N1CCNC(C1)C(=O)O","YRYAXQJXMBETAT-ZETCQYMHSA-N","1501850",NA,"PDBC00430","","Absent"
-"Quiflapon sodium","","","","","","MK-591","","","","","","","","","","","","","","","","CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)[O-].[Na+]","YPURUCMVRRNPHJ-UHFFFAOYSA-M","23672584",NA,"PDBC00431","","Absent"
-"FMK-PA","","","","","","FMK-PA","","","","","","","","","","","","","","","","","","",NA,"PDBC00432","","Absent"
-"ML159","","","","","","ML159","","","","","","","","","","","","","","","","C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F","MFABFKUNLDYKGH-UHFFFAOYSA-N","45100448",NA,"PDBC00433","","Absent"
-"NSC 74859","","","","","","NSC 74859","","NSC 74859","","","","","","","","","S31-201","","","2-hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid","","","","252682",NA,"PDBC00434","74859","Present"
-"Compound 12","","","","","","Compound 12","","","","","","","","","","","","","","","","","","",NA,"PDBC00435","","Absent"
-"2,4-dideoxy-DC-45-A2","","","","","","2,4-dideoxy-DC-45-A2","","","","","","","","","","","","","","","","","","",NA,"PDBC00436","","Absent"
-"ML090","","","","","","ML090","","","","","","","","","","","","","","","","C1=CC=C2C(=C1)NC3=NC4=CC=CC=C4N=C3N2","WGKYYZDYHYOKQV-UHFFFAOYSA-N","616479",NA,"PDBC00437","","Absent"
-"CHEMBL399379","","","","","","CHEMBL399379","","","","","","","","","","","","","","","","COC1=C(C=C(C=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC(=C3O)Cl)Cl","SIIPNDKXZOTLEA-UHFFFAOYSA-N","16747776",NA,"PDBC00438","","Absent"
-"Pandacostat","","","","","","pandacostat","","pandacostat","","","","","","","","","","","","","","C1=CC(=CC=C1C=CC(=O)NO)C(=O)NNC=C2C=CC(=O)C(=C2O)O","DQNFQTHSDKXSEE-YWSGDMFXSA-N","44543714",NA,"PDBC00439","","Present"
-"ELCPK","","","","","","ELCPK","","ELCPK","","","","","","","","","","","","","","","","",NA,"PDBC00440","","Present"
-"JZL-184","","","","","","JZL-184","","","","","","","","","","","","","","JZL-184","JZL-184","C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]","SEGYOKHGGFKMCX-UHFFFAOYSA-N","25021165",NA,"PDBC00441","763094","Present"
-"CIL55","","","","","","CIL55","","CIL55","","","","","","","","","","","","","","","","",NA,"PDBC00442","","Present"
-"5-benzyl-9-tert-butyl-paullone","","","","","","5-benzyl-9-tert-butyl-paullone","","","","","","","","","","","","","","","","","","",NA,"PDBC00443","","Absent"
-"GMX-1778","","","","","","GMX-1778","","GMX-1778","","","","","","","","","","","","","","Clc1ccc(OCCCCCC\N=C(\NC#N)Nc2ccncc2)cc1","","",NA,"PDBC00444","","Present"
-"NU 1025","","","","","","NU 1025","NU-1025","","","","","","","","","","","","","","","Cc1nc2c(O)cccc2c(=O)[nH]1","YJDAOHJWLUNFLX-UHFFFAOYSA-N","63306",NA,"PDBC00445","","Absent"
-"Bms-641988","","","","","","BMS-641988","","","","","","","","","","","","","","","","CCS(=O)(=O)NC1CC2(C3C(C1(O2)C)C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)C","HYNANJUKEMCYEQ-HIGHGGLBSA-N","24768935",NA,"PDBC00446","","Absent"
-"P-0850","","","","","","P-0850","","","","","","","","","","","","","","","","","","",NA,"PDBC00447","","Absent"
-"Pik-75","","","","","","PIK-75","","","","","","","","","","","","","","","PIK-75","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)N=CC2=CN=C3N2C=C(C=C3)Br","QTHCAAFKVUWAFI-DJKKODMXSA-N","10275789",NA,"PDBC00448","","Present"
-"PRIMA-1-Met","","","","","","PRIMA-1-Met","","PRIMA-1-Met","","","","","","","PRIMA-1MET","","","","","APR-246","","COCC1(C(=O)C2CCN1CC2)CO","BGBNULCRKBVAKL-UHFFFAOYSA-N","52918385",NA,"PDBC00449","791496","Present"
-"TTNBP","","","","","","TTNBP","TTNPB","","","","","","","","","","","","","","","CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C","FOIVPCKZDPCJJY-JQIJEIRASA-N","5289501",NA,"PDBC00450","","Absent"
-"Capsaicin","","","","","","capsaicin","capsaicin","","","","","","","","","","","","","","capsaicin","CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC","YKPUWZUDDOIDPM-SOFGYWHQSA-N","1548943",TRUE,"PDBC00451","","Present"
-"BRD0713","","","","","","BRD0713","","","","","","","","","","","","","","","","","","",NA,"PDBC00452","","Absent"
-"ML160","","","","","","ML160","","","","","","","","","","","","","","","","","","",NA,"PDBC00453","","Absent"
-"ML150","","","","","","ML150","","","","","","","","","","","","","","","","","","1517919",NA,"PDBC00454","","Absent"
-"iso-DC-45-A2","","","","","","iso-DC-45-A2","","","","","","","","","","","","","","","","","","",NA,"PDBC00455","","Absent"
-"AZD-7545","","","","","","AZD-7545","","AZD7545","","","","","","","","","","","","","","CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl)(C(F)(F)F)O","DTDZLJHKVNTQGZ-GOSISDBHSA-N","16741245",NA,"PDBC00456","","Present"
-"BRD4470","","","","","","BRD4470","","","","","","","","","","","","","","","","","","",NA,"PDBC00457","","Absent"
-"Tivozanib","","","","","","tivozanib","","tivozanib","","","","Tivozanib","","","Tivozanib","","Tivozanib (AV-951)","","","Tivozanib","tivozanib","CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl","SPMVMDHWKHCIDT-UHFFFAOYSA-N","9911830",NA,"PDBC00458","800952///758007","Present"
-"BEC","","","","","","BEC","","BEC","","","","","","","","","","","","","","CC1=C(C(C(=C(N1)C)C(=O)OCC(=O)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC","NCUCGYYHUFIYNU-UHFFFAOYSA-N","2225",NA,"PDBC00459","","Present"
-"BRD55319","","","","","","BRD55319","","","","","","","","","","","","","","","","","","",NA,"PDBC00460","","Absent"
-"CHEMBL1222381","","","","","","CHEMBL1222381","","neuronal differentiation inducer III","","","","","","","","","","","","","","C1CC1NC(=O)C2=NOC(=C2)C3=CC=CS3","SYENTKHGMVKGAQ-UHFFFAOYSA-N","19582717",NA,"PDBC00461","","Present"
-"Adavosertib","","","","","","MK 1775","","MK-1775","","","AZD1775","","","MK-1775","MK-1775","","","","","Adavosertib///MK-1775","MK-1775","CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1","","24856436",NA,"PDBC00462","754352///800793","Present"
-"ML039","","","","","","ML039","","","","","","","","","","","","","","","","C1=CC(=C(C(=C1C2=NNC(=C2)C(=O)NCCO)Cl)Cl)Cl","NQORNRXANZIMLI-UHFFFAOYSA-N","24178170",NA,"PDBC00463","","Absent"
-"JQ1 compound","","","","","","JQ-1","","JQ-1","JQ1","","","JQ1","","JQ1","JQ1","","JQ1","(+)-JQ1","","","","CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)C(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C","DOXYOPGGFSMXOX-GOSISDBHSA-N","71300862",NA,"PDBC00464","","Present"
-"6-Methoxyharmalan","","","","","","6-methoxyharmalan","10-methoxyharmalan","","","","","","","","","","","","","","","CC1=C2C(=C3C=C(C=CC3=N2)OC)CCN1","PIRYBCJVLMHZOK-UHFFFAOYSA-N","5474706",NA,"PDBC00465","","Absent"
-"Abt-737","","","","","","ABT-737","","ABT-737","","","","","","","ABT737","","ABT-737","BH3 mimetic ABT 737","","ABT-737","ABT-737","CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]","HPLNQCPCUACXLM-PGUFJCEWSA-N","11228183",NA,"PDBC00466","758873","Present"
-"Enzalutamide","","","","","","MDV-3100","","","","","","","","","","","","","","Enzalutamide","enzalutamide","CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C","WXCXUHSOUPDCQV-UHFFFAOYSA-N","15951529",NA,"PDBC00467","755605","Present"
-"UK 356618","","","","","","UK 356618","","","","","","","","","","","","","","","","C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1","","10370504",NA,"PDBC00468","","Absent"
-"BRD4372","","","","","","BRD4372","","","","","","","","","","","","","","","","","","",NA,"PDBC00469","","Absent"
-"Daporinad","","","","","","FK866","","daporinad","","","","FK866","","","Daporinad","","","","","Daporinad","FK-866","C1CN(CCC1CCCCNC(=O)C=CC2=CN=CC=C2)C(=O)C3=CC=CC=C3","KPBNHDGDUADAGP-VAWYXSNFSA-N","6914657",NA,"PDBC00470","760442///777194","Present"
-"BRD4479","","","","","","BRD4479","","","","","","","","","","","","","","","","","","1288426",NA,"PDBC00471","","Absent"
-"CHEMBL374350","","","","","","CHEMBL374350","","ML029","","","","","","","","","","","","","","CC1=CC2=C(C=C1C)N(C(=N2)NCCCO)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C","CYCGGKILBWERDJ-UHFFFAOYSA-N","2858523",NA,"PDBC00472","","Present"
-"alpha-Cyano-4-hydroxycinnamic acid","","","","","","alpha-cyano-4-hydroxycinnamic acid","","","","","","","","","","","","","","","","","","5328791",NA,"PDBC00473","","Absent"
-"BRD8097","","","","","","BRD8097","","","","","","","","","","","","","","","","","","",NA,"PDBC00474","","Absent"
-"MPEP","","","","","","MPEP","","","","","","","","","","","","","","","","CC1=CC=CC(=N1)C#CC2=CC=CC=C2","NEWKHUASLBMWRE-UHFFFAOYSA-N","3025961",NA,"PDBC00475","","Absent"
-"ML101","","","","","","ML101","","","","","","","","","","","","","","","","CC(C)C(C(=O)N1CCCC1C(=O)NC2=CC=CC3=C2C=CC=N3)NC(=O)C(C)NC.C(=O)O","YSZBMHHAPPTTJG-ZAFWUOJLSA-N","25241665",NA,"PDBC00476","","Absent"
-"IWR-1-endo","","","","","","endo-IWR-1","","","","","","","","","","","","","","IWR-1","endo-IWR-1","C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6","ZGSXEXBYLJIOGF-ALFLXDJESA-N","44483163",NA,"PDBC00477","756646","Present"
-"SB-225002","","","","","","SB-225002","","SB-225002","","","","","","SB225002","","","","","","","SB-225002","C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br","MQBZVUNNWUIPMK-UHFFFAOYSA-N","3854666",NA,"PDBC00478","","Present"
-"3-Nitropropionic acid","","","","","","bovinocidin","3-nitropropionic acid","","","","","","","","","","","","","","","C(C[N+](=O)[O-])C(=O)O","WBLZUCOIBUDNBV-UHFFFAOYSA-N","1678",NA,"PDBC00479","","Absent"
-"CAY10594","","","","","","CAY10594","","CAY10594","","","","","","","","","","","","","","C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC5=CC=CC=C5C=C4","FAIFAFUXFFWVNQ-UHFFFAOYSA-N","25105715",NA,"PDBC00480","","Present"
-"Compound 7d-cis","","","","","","Compound 7d-cis","","Compound 7d-cis","","","","","","","","","","","","","","","","",NA,"PDBC00481","","Present"
-"Neopeltolide","","","","","","neopeltolide","","neopeltolide","","","","","","","","","","","","","","CCCC1CC(CC(CC2CC(CC(O2)CC(=O)O1)OC(=O)C=CCCC3=COC(=N3)C=CCNC(=O)OC)C)OC","YRSJLYCTJWNTMF-KXXBBFITSA-N","23661650",NA,"PDBC00482","","Present"
-"Bistramide A","","","","","","bistramide A","","","","","","","","","","","","","","","","","","6048582",NA,"PDBC00483","","Absent"
-"BRD9658","","","","","","BRD9658","","","","","","","","","","","","","","","","","","",NA,"PDBC00484","","Absent"
-"Ko-143","","","","","","Ko-143","","Ko-143","","","","","","","","","","","","","","CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=C(N2)C=C(C=C4)OC","NXNRAECHCJZNRF-JBACZVJFSA-N","10322450",NA,"PDBC00485","","Present"
-"pifithrin-alpha","","","","","","pifithrin-alpha","","pifithrin-alpha","","","","","","","","","","","","","","CC1=CC=C(C=C1)C(=O)C[N+]2=C(SC3=C2CCCC3)N.[Br-]","HAGVCKULCLQGRF-UHFFFAOYSA-N","57458948",NA,"PDBC00486","","Present"
-"TGX-115","","","","","","TGX-115","","","","","","","","","","","","","","","","CC1=CC=CC=C1OC2=CC=CC3=C2NC(=CC3=O)N4CCOCC4","FWYYZGLCNUZWPF-UHFFFAOYSA-N","9902311",NA,"PDBC00487","","Absent"
-"Compound 23 citrate","","","","","","Compound 23 citrate","","Compound 23 citrate","","","","","","","","","","","","","","","","",NA,"PDBC00488","","Present"
-"PI-103","","","","","","PI-103","","PI-103","","","","PI-103","","","PI-103","","PI-103","","","PI-103","PI-103","C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O","TUVCWJQQGGETHL-UHFFFAOYSA-N","9884685",NA,"PDBC00489","776996///759676","Present"
-"Ursolic acid","","","","","","ursolic acid","ursolic acid","","","","","","","","","","","","","","","C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O","WCGUUGGRBIKTOS-GPOJBZKASA-N","64945",NA,"PDBC00490","","Absent"
-"BRD8958","","","","","","BRD8958","","BRD8958","","","","","","","","","","","","","","","","",NA,"PDBC00491","","Present"
-"PF-3845","","","","","","PF-3845","","","","","","","","","","","","","","","PF-3845","C1CN(CCC1CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=CN=CC=C4","NBOJHRYUGLRASX-UHFFFAOYSA-N","25154867",NA,"PDBC00492","","Present"
-"ISOX","","","","","","ISOX","","ISOX","","","","","","","","","","","","","","CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO","","",NA,"PDBC00493","","Present"
-"CIL55A","","","","","","CIL55A","","CIL55A","","","","","","","","","","","","","","","","",NA,"PDBC00494","","Present"
-"GSK-2334470","","","","","","GSK-2334470","","","","","","","","","","","","","","6-(4-pyrimidinyl)-1H-indazole derivative","","CC1CCC(CN1C2=NC(=NC(=C2)C3=CC4=C(C=C3)C(=NN4)N)NC)C(=O)NC5CCCCC5","QLPHOXTXAKOFMU-WBVHZDCISA-N","46215815",NA,"PDBC00495","759658","Present"
-"10-DEBC","","","","","","10-DEBC","","","","","","","","","","","","","","","","CCN(CC)CCCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl","GYBXAGDWMCJZJK-UHFFFAOYSA-N","10521421",NA,"PDBC00496","","Absent"
-"Snx-2112","","","","","","SNX-2112","","SNX-2112","","","","SNX-2112","","","SNX-2112","","","","","","SNX-2112","CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C","ZFVRYNYOPQZKDG-UHFFFAOYSA-N","24772860",NA,"PDBC00497","","Present"
-"N9-Isopropyl-olomoucine","","","","","","N9-isopropylolomoucine","","N9-isopropylolomoucine","","","","","","","","","","","","","","CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCO","WHDJEAZLMYPLGL-UHFFFAOYSA-N","6610355",NA,"PDBC00498","","Present"
-"BML-259","","","","","","BML-259","","","","","","","","","","","","","","","","CC(C)C1=CN=C(S1)NC(=O)CC2=CC=CC=C2","IGRZXNLKVUEFDM-UHFFFAOYSA-N","16760027",NA,"PDBC00499","","Absent"
-"Carbamazepine","","","","","","carbamazepine","carbamazepine","","","","","","","","","","","","","","","C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N","FFGPTBGBLSHEPO-UHFFFAOYSA-N","2554",TRUE,"PDBC00500","","Absent"
-"BRD4770","","","","","","BRD4770","","","","","","","","","","","","","","BRD-4770","","","","72193870",NA,"PDBC00501","777671","Present"
-"BRD5802","","","","","","BRD5802","","","","","","","","","","","","","","","","","","",NA,"PDBC00502","","Absent"
-"BRD1812","","","","","","BRD1812","","BRD1812","","","","","","","","","","","","","","","","",NA,"PDBC00503","","Present"
-"PF-04217903","","","","","","PF-04217903","","","","","","","","","","","","","","PF-04217903","PF-04217903","C1=CC2=C(C=CC(=C2)CN3C4=NC(=CN=C4N=N3)C5=CN(N=C5)CCO)N=C1","PDMUGYOXRHVNMO-UHFFFAOYSA-N","17754438",NA,"PDBC00504","763931","Present"
-"Purmorphamine","","","","","","purmorphamine","","purmorphamine","","","","","","","","","","","","","","C1CCC(CC1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N5CCOCC5)OC6=CC=CC7=CC=CC=C76","FYBHCRQFSFYWPY-UHFFFAOYSA-N","5284329",NA,"PDBC00505","","Present"
-"Panduratin A","","","","","","panduratin A","","","","","","","","","","","","","","","","","","6483648",NA,"PDBC00506","","Absent"
-"ZM336372","","","","","","ZM336372","","","","","","","","","","","","","","ZM-336372","","CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC(=O)C3=CC=C(C=C3)O","PYEFPDQFAZNXLI-UHFFFAOYSA-N","5730",NA,"PDBC00507","756654","Present"
-"UNC0321","","","","","","UNC0321","","UNC0321","","","","","","","","","","","","","","CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCOCCN(C)C","AULLUGALUBVBDD-UHFFFAOYSA-N","46901937",NA,"PDBC00508","","Present"
-"WT-161","","","","","","WT-161","","","","","","","","","","","","","","WT-161","","CCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2","MKELYWOVSPVORM-UHFFFAOYSA-N","19254",NA,"PDBC00509","797653","Present"
-"N-oxalyl-D-phenylalanine","","","","","","N-oxalyl-D-phenylalanine","","","","","","","","","","","","","","","","C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(=O)O","ULQWGBCNOHBNDB-QMMMGPOBSA-N","11276430",NA,"PDBC00510","","Absent"
-"Losartan","","","","","","losartan","","","","","","","","","","","","","","","","CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl","PSIFNNKUMBGKDQ-UHFFFAOYSA-N","3961",TRUE,"PDBC00511","","Absent"
-"Sepantronium bromide","","","","","","YM-155","","YM-155","","","","YM155","","YM155","Sepantronium bromide","","YM-155","","","Sepantronium bromide","YM-155","CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]","QBIYUDDJPRGKNJ-UHFFFAOYSA-M","11178236",NA,"PDBC00512","755387","Present"
-"EX-527","","","","","","EX-527","","EX-527","","","","EX-527","","","Selisistat","","","","","","","C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N","FUZYTVDVLBBXDL-UHFFFAOYSA-N","5113032",NA,"PDBC00513","","Present"
-"BRD32048","","","","","","BRD32048","","","","","","","","","","","","","","","","COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCCCC3","PVHJDJWPRZUURH-UHFFFAOYSA-N","704129",NA,"PDBC00514","","Absent"
-"Lonidamine","","","","","","lonidamine","","","","","","","","","","","","","","","","C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O","WDRYRZXSPDWGEB-UHFFFAOYSA-N","39562",NA,"PDBC00515","","Absent"
-"Manumycin","","","","","","manumycin A","","manumycin A","","","","","","","","","","","","","","CCCC[C@@H](C)/C=C(\C)/C=C(\C)/C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2C(=O)CCC2=O)[C@@H]3O[C@@H]3C1=O","","6438330",NA,"PDBC00516","","Present"
-"Ixazomib","","","","","","MLN2238","","MLN2238","","","","","","","","","","","Ixazomib","Ixazomib citrate///Ixazomib","ixazomib","B(C(CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O","MXAYKZJJDUDWDS-LBPRGKRZSA-N","25183872",NA,"PDBC00517","758254///766907","Present"
-"BRD6413","","","","","","BRD6413","","","","","","","","","","","","","","","","","","952391",NA,"PDBC00518","","Absent"
-"ML214","","","","","","ML214","","","","","","","","","","","","","","","","CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])Cl","KPDOVJBEKCRATD-UHFFFAOYSA-N","701939",NA,"PDBC00519","","Absent"
-"DC-45-A2","","","","","","DC-45-A2","","","","","","","","","","","","","","","","C","VNWKTOKETHGBQD-MICDWDOJSA-N","12669",NA,"PDBC00520","","Absent"
-"RepSox","","","","","","RepSox","","","","","","","","","","","","","","GW786460X","repsox","CC1=CC=CC(=N1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4","LBPKYPYHDKKRFS-UHFFFAOYSA-N","449054",NA,"PDBC00521","756354","Present"
-"Triacsin c","","","","","","triacsin C","","","","","","","","","","","","","","","","CCC\C=C\C\C=C\C=C\C=N\N[NH2+][O-]","","9576787",NA,"PDBC00522","","Absent"
-"ML203","","","","","","ML203","","ML203","","","","","","","","","","","","","","C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4","GMHIOMMKSMSRLY-UHFFFAOYSA-N","44543605",NA,"PDBC00523","","Present"
-"Oxythiamine","","","","","","oxythiamine","","","","","","","","","","","","","","","","CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.Cl.[Cl-]","HGYQKVVWNZFPJS-UHFFFAOYSA-N","101796",NA,"PDBC00524","","Absent"
-"Batimastat","","","","","","batimastat","","","","","","","","","","","","","","","batimastat","CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC","XFILPEOLDIKJHX-QYZOEREBSA-N","5362422",NA,"PDBC00525","","Present"
-"IWP-2","","","","","","IWP-2","","","","","","","","","IWP-2","","","","","","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4","WRKPZSMRWPJJDH-UHFFFAOYSA-N","2155128",NA,"PDBC00526","","Present"
-"BRD1429","","","","","","BRD1429","","","","","","","","","","","","","","","","","","24059344",NA,"PDBC00527","","Absent"
-"PF-750","","","","","","PF-750","","PF-750","","","","","","","","","","","","","","C1CN(CCC1CC2=CC3=CC=CC=C3N=C2)C(=O)NC4=CC=CC=C4","BIODYGOZWZNCAG-UHFFFAOYSA-N","25154868",NA,"PDBC00528","","Present"
-"PL-DI","","","","","","PL-DI","","PL-DI","","","","","","","","","","","","","","CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]","JBBYCBXVYZDRPE-PSXMRANNSA-N","3035652",NA,"PDBC00529","","Present"
-"6-diazo-5-oxo-L-norleucine","","","","","","6-diazo-5-oxo-L-norleucine","","","","","","","","","","","","","","","diazooxonorleucine","C(CC(=C[N+]#N)[O-])C(C(=O)O)N","MKZFABOMIIHLIT-ARJAWSKDSA-N","5351132",NA,"PDBC00530","","Present"
-"BRD63610","","","","","","BRD63610","","","","","","","","","","","","","","","","","","",NA,"PDBC00531","","Absent"
-"Neratinib","","","","","","neratinib","","neratinib","","","","","","","","","Neratinib (HKI-272)","","","Neratinib","neratinib","CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C","JWNPDZNEKVCWMY-VQHVLOKHSA-N","9915743",TRUE,"PDBC00532","800803///757439","Present"
-"Cytosporone B","","","","","","cytosporone B","","","","","","","","","","","","","","","","CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC","","10687292",NA,"PDBC00533","","Absent"
-"kahalalide F","","","","","","kahalalide F","","","","","","","","","","","","","","Kahalide F","","CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(=CC)C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)CCCC(C)C)C)C(C)C)CC3=CC=CC=C3)C(C)C","RCGXNDQKCXNWLO-YUHQQKLOSA-N","9898671",NA,"PDBC00534","668814","Present"
-"BRD4132","","","","","","BRD4132","","BRD4132","","","","","","","","","","","","","","","","7326481",NA,"PDBC00535","","Present"
-"UNC0638","","","","","","UNC0638","","UNC0638","","","","UNC0638","","UNC0638","UNC0638","","","","","UNC-0638","","CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5","QOECJCJVIMVJGX-UHFFFAOYSA-N","46224516",NA,"PDBC00536","764517","Present"
-"Irosustat","","","","","","irosustat","","","","","","","","","","","","","","","","C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)N","DSLPMJSGSBLWRE-UHFFFAOYSA-N","5287541",NA,"PDBC00537","","Absent"
-"CI-976","","","","","","CI-976","","CI-976","","","","","","","","","","","","","","CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC","WAFNZAURAWBNDZ-UHFFFAOYSA-N","122327",NA,"PDBC00538","","Present"
-"BRD9876","","","","","","BRD9876","","BRD9876","","","","","","","","","","","","","","CC(C)(C)C1=CC2=C(C=C1)C=C(C(=C2)C#N)C#N","MKILROQBJOOZKC-UHFFFAOYSA-N","613000",NA,"PDBC00539","","Present"
-"ML006","","","","","","ML006","","ML006","","","","","","","","","","","","","","C1COCCN1C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4","XAYFWWVZSYKDIS-UHFFFAOYSA-N","2842253",NA,"PDBC00540","","Present"
-"BRD2296","","","","","","BRD2296","","","","","","","","","","","","","","","","","","",NA,"PDBC00541","","Absent"
-"BRD5586","","","","","","BRD5586","","","","","","","","","","","","","","","","","","",NA,"PDBC00542","","Absent"
-"ML031","","","","","","ML013","","ML031","","","","","","","","","","","","","","CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)CCC3=O","JRESCQKIRPOOEM-UHFFFAOYSA-N","2113511",NA,"PDBC00543","","Present"
-"CID 2853753","","","","","","CID 2853753","","","","","","","","","","","","","","","","","","",NA,"PDBC00544","","Absent"
-"Abt-751","","","","","","ABT-751","","","","","","","","","","","","","","","ABT-751","COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O","URCVCIZFVQDVPM-UHFFFAOYSA-N","3035714",NA,"PDBC00545","","Present"
-"Tosedostat","","","","","","tosedostat","","tosedostat","","","","","","","","","","","","","tosedostat","CC(C)CC(C(C(=O)NO)O)C(=O)NC(C1=CC=CC=C1)C(=O)OC2CCCC2","FWFGIHPGRQZWIW-SQNIBIBYSA-N","15547703",NA,"PDBC00546","","Present"
-"BRD7137","","","","","","BRD7137","","","","","","","","","","","","","","","","","","",NA,"PDBC00547","","Absent"
-"SJ-172550","","","","","","SJ-172550","","SJ-172550","","","","","","","","","","","","","","CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCC(=O)OC","RKKFQJXGAQWHBZ-LICLKQGHSA-N","1317464",NA,"PDBC00548","","Present"
-"6-Borono-L-norleucine","","","","","","ABH","","","","","","","","","","","","","","","","B(CCCCC(C(=O)[O-])[NH3+])(O)O","HFKKMXCOJQIYAH-YFKPBYRVSA-N","56676409",NA,"PDBC00549","","Absent"
-"AC55649","","","","","","AC55649","","AC55649","","","","","","","","","","","","","","CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O","HXBKPYIEQLLNBK-UHFFFAOYSA-N","1714884",NA,"PDBC00550","","Present"
-"Compound 11e","","","","","","Compound 11e","","","","","","","","","","","","","","","","","","",NA,"PDBC00551","","Absent"
-"BRD9786","","","","","","BRD9786","","","","","","","","","","","","","","","","","","",NA,"PDBC00552","","Absent"
-"ML100","","","","","","ML100","","","","","","","","","","","","","","","","CC1=CC=C(C=C1)C2=NC(=NC(=N2)SC)C(Cl)Cl","VRYFPFHGCPTRHR-UHFFFAOYSA-N","3380841",NA,"PDBC00553","","Absent"
-"BMS-191011","","","","","","BMS-191011","","","","","","","","","","","","","","","","C1=CC(=CC=C1C2=NN(C(=O)O2)CC3=C(C=CC(=C3)Cl)O)C(F)(F)F","QKOWACXSXTXRKA-UHFFFAOYSA-N","10474339",NA,"PDBC00554","","Absent"
-"Nifedipine","","","","","","nifedipine","nifedipine","","","","","","","","","","","","Nifedipine","Nifedipine;A-9057","","CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC","HYIMSNHJOBLJNT-UHFFFAOYSA-N","4485",TRUE,"PDBC00555","786036","Present"
-"pifithrin-mu","","","","","","pifithrin-mu","","pifithrin-mu","","","","","","","","","","","","","","C1=CC=C(C=C1)C#CS(=O)(=O)N","ZZUZYEMRHCMVTB-UHFFFAOYSA-N","327653",NA,"PDBC00556","","Present"
-"Compound 2","","","","","","Compound 2","","","","","","","","","","","","","","","","","","",NA,"PDBC00557","","Absent"
-"16-beta-bromoandrosterone","","","","","","16-beta-bromoandrosterone","","16-beta-bromoandrosterone","","","","","","","","","","","","","","","","",NA,"PDBC00558","","Present"
-"Pluripotin","","","","","","pluripotin","","pluripotin","","","","","","","","","","","","Pluripotin","","","","12003241",NA,"PDBC00559","763525///217990","Present"
-"Fatostatin","","","","","","fatostatin","","","","","","","","","","","","","","","","CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)C","ZROSUBKIGBSZCG-UHFFFAOYSA-N","1889993",NA,"PDBC00560","","Absent"
-"PIK-90","","","","","","PIK-90","","","","","","","","","","","","","","","","COC1=C(C2=C(C=C1)C3=NCCN3C(=N2)NC(=O)C4=CN=CC=C4)OC","ZJAVHOMVDCMAMF-UHFFFAOYSA-N","6857685",NA,"PDBC00561","","Absent"
-"Pyrvinium pamoate","","","","","","pyrvinium pamoate","pyrvinium","","","","","","","","","","","","","","","CN(C)c1ccc2[n+](C)c(CCc3cc(C)n(c3C)-c3ccccc3)ccc2c1.CN(C)c1ccc2[n+](C)c(CCc3cc(C)n(c3C)-c3ccccc3)ccc2c1","","54680693",TRUE,"PDBC00562","","Absent"
-"Indomethacin","","","","","","","indometacin","","","","","","","","","","","","","","","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1","CGIGDMFJXJATDK-UHFFFAOYSA-N","3715",NA,"PDBC00563","","Absent"
-"cobalt chloride","","","","","","","cobalt chloride","","","","","","","","","","","","","","","Cl[Co]Cl","GVPFVAHMJGGAJG-UHFFFAOYSA-L","24288",TRUE,"PDBC00564","","Absent"
-"Prochlorperazine","","","","","","","prochlorperazine","prochlorperazine","","","","","","","","","","","Prochlorperazine dimaleate","","","CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1","WIKYUJGCLQQFNW-UHFFFAOYSA-N","4917",TRUE,"PDBC00565","","Present"
-"Quinpirole","","","","","","","quinpirole","","","","","","","","","","","","","","","CCCN1CCC[C@H]2Cc3[nH]ncc3C[C@@H]21","FTSUPYGMFAPCFZ-ZWNOBZJWSA-N","54562",NA,"PDBC00566","","Absent"
-"Tetraethylenepentamine","","","","","","","tetraethylenepentamine","","","","","","","","","","","","","","","NCCNCCNCCNCCN","FAGUFWYHJQFNRV-UHFFFAOYSA-N","8197",NA,"PDBC00567","","Absent"
-"Copper sulfate","","","","","","","copper sulfate","","","","","","","","","","","","","","","[Cu].OS(=O)(=O)[O-]","ARUVKPQLZAKDPS-UHFFFAOYSA-L","24462",NA,"PDBC00568","","Absent"
-"Deferoxamine","","","","","","","deferoxamine","","","","","","","","","","","","","","","CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","UBQYURCVBFRUQT-UHFFFAOYSA-N","2973",TRUE,"PDBC00569","","Absent"
-"Pirinixic acid","","","","","","","pirinixic acid","","","","","","","","","","","","","pirinixic acid","","Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C","SZRPDCCEHVWOJX-UHFFFAOYSA-N","5694",NA,"PDBC00570","310038","Present"
-"Celecoxib","","","","celebrex///Celecoxib","","","celecoxib","","","","","","","","","","","","","Celecoxib","","Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F","RZEKVGVHFLEQIL-UHFFFAOYSA-N","2662",TRUE,"PDBC00571","719627","Present"
-"Radicicol","","","","","","","monorden","","","","","","","","","","","","","","","","WYZWZEOGROVVHK-GTMNPGAYSA-N","6323491",NA,"PDBC00572","","Absent"
-"Calmidazolium","","","","","","","calmidazolium","","","","","","","","","","","","","","","Clc1ccc(cc1)C(c2ccc(Cl)cc2)[n+]3ccn(CC(OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3","CTKNMSVWMRRCPW-UHFFFAOYSA-N","2531",NA,"PDBC00573","","Absent"
-"Iloprost","","","","","","","iloprost","","","","","","","","","","","","","","","CC#CCC(C)[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C/C(=C\CCCC(=O)O)/C[C@H]12","HIFJCPQKFCZDDL-ACWOEMLNSA-N","5311181",TRUE,"PDBC00574","","Absent"
-"Fluphenazine","","","","","","","fluphenazine","","","","","","","","","","","","Fluphenazine dihydrochloride","Fluphenazine","","OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1","PLDUPXSUYLZYBN-UHFFFAOYSA-N","3372",TRUE,"PDBC00575","755764///755768///757816///92339","Present"
-"Dopamine","","","","","","","dopamine","","","","","","","","","","","","","","","NCCc1ccc(O)c(O)c1","VYFYYTLLBUKUHU-UHFFFAOYSA-N","681",TRUE,"PDBC00576","","Absent"
-"Haloperidol","","","","","","","haloperidol","","","","","","","","","","","","","Haloperidol","","OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3","LNEPOXFFQSENCJ-UHFFFAOYSA-N","3559",TRUE,"PDBC00577","615296","Present"
-"Novobiocin","","","","","","","novobiocin","","","","","","","","","","","","","albadry","novobiocin","CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O","YJQPYGGHQPGBLI-KGSXXDOSSA-N","54675769",TRUE,"PDBC00578","2382","Present"
-"LY-294002","","","","LY294002","","","LY-294002","","","","","","","","","","","","","LY-294002","","O=c1cc(oc2c(cccc12)c3ccccc3)N4CCOCC4","CZQHHVNHHHRRDU-UHFFFAOYSA-N","3973",NA,"PDBC00579","755769///697286","Present"
-"Sodium phenylbutyrate","","","","","","","sodium phenylbutyrate","","","","","","","","","","","","","","","OC(=O)CCCc1ccccc1","VPZRWNZGLKXFOE-UHFFFAOYSA-M","5258",TRUE,"PDBC00580","","Absent"
-"Troglitazone","","","","","","","troglitazone","","","","","","","","","","","","","","","Cc1c(C)c2O[C@](C)(COc3ccc(C[C@H]4SC(=O)NC4=O)cc3)CCc2c(C)c1O","GXPHKUHSUJUWKP-UHFFFAOYSA-N","5591",TRUE,"PDBC00581","","Absent"
-"Metformin","","","","","","","metformin","","","","Metformin","","","Metformin","","","","","","","","CN(C)C(=N)NC(=N)N","XZWYZXLIPXDOLR-UHFFFAOYSA-N","4091",TRUE,"PDBC00582","","Absent"
-"Phenformin","","","","","","","phenformin","","","","","Phenformin","","","Phenformin","","","","","dipar///NSC756501","","C1=CC=C(C=C1)CCN=C(N)N=C(N)N","ICFJFFQQTFMIBG-UHFFFAOYSA-N","8249",NA,"PDBC00583","23100///756501","Present"
-"1-Phenylbiguanide","","","","","","","phenyl biguanide","","","","","","","","","","","","","","1-phenylbiguanide","NC(=N)NC(=N)Nc1ccccc1","CUQCMXFWIMOWRP-UHFFFAOYSA-N","4780",NA,"PDBC00584","","Present"
-"Estradiol","","","","","","","estradiol","","","","","","","","","","","","","","estradiol","C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CC[C@@H]1O","VOXZDWNPVJITMN-ZBRFXRBCSA-N","5757",TRUE,"PDBC00585","","Present"
-"Alfatradiol","","","","","","","alpha-estradiol","","","","","","","","","","","","","","","C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CC[C@H]1O","VOXZDWNPVJITMN-SFFUCWETSA-N","68570",NA,"PDBC00586","","Absent"
-"Mesalamine","","","","","","","mesalazine","","","","","","","","","","","","Mesalamine","","","Nc1ccc(O)c(c1)C(=O)O","KBOPZPXVLCULAV-UHFFFAOYSA-N","4075",NA,"PDBC00587","","Absent"
-"Chlorpropamide","","","","","","","chlorpropamide","","","","","","","","","","","","","","chlorpropamide","CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1","RKWGIWYCVPQPMF-UHFFFAOYSA-N","2727",TRUE,"PDBC00588","","Present"
-"Tolbutamide","","","","","","","tolbutamide","","","","","","","","","","","","","","","CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1","JLRGJRBPOGGCBT-UHFFFAOYSA-N","5505",TRUE,"PDBC00589","","Absent"
-"Verapamil","","","","","","","verapamil","","","","","","","Verapamil","","","","","","","","COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC","SGTNSNPWRIOYBX-UHFFFAOYSA-N","2520",TRUE,"PDBC00590","","Absent"
-"Dexverapamil","","","","","","","dexverapamil","","","","","","","","","","","","","","","COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC","SGTNSNPWRIOYBX-HHHXNRCGSA-N","65808",NA,"PDBC00591","","Absent"
-"Exemestane","","","","","","","exemestane","","","","","","","","","","","","","Exemestane","exemestane","C[C@@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]2CCC1=O","BFYIZQONLCFLEV-DAELLWKTSA-N","60198",TRUE,"PDBC00592","713563","Present"
-"Rofecoxib","","","","","","","rofecoxib","","","","","","","","","","","","","rofecoxib","","CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3","RZJQGNCSTQAWON-UHFFFAOYSA-N","5090",TRUE,"PDBC00593","720256","Present"
-"Amitriptyline","","","","","","","amitriptyline","","","","","","","","","","","","","","","CN(C)CCC=C1c2ccccc2CCc3ccccc13","KRMDCWKBEZIMAB-UHFFFAOYSA-N","2160",TRUE,"PDBC00594","","Absent"
-"Sulindac","","","","","","","sulindac","","","","","","","","","","","","","","","CC/1=C(CC(=O)O)c2cc(F)ccc2\C1=C/c3ccc(cc3)S(=O)C","MLKXDPUZXIRXEP-MFOYZWKCSA-N","1548887",TRUE,"PDBC00595","","Absent"
-"Phenelzine","","","","","","","phenelzine","","","","","","","","","","","","","","phenelzine","NNCCc1ccccc1","RMUCZJUITONUFY-UHFFFAOYSA-N","3675",TRUE,"PDBC00596","","Present"
-"Fluoxetine","","","","","","","fluoxetine","","","","","","","","","","","","Fluoxetine hydrochloride","","","CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2","RTHCYVBBDHJXIQ-UHFFFAOYSA-N","3386",TRUE,"PDBC00597","","Absent"
-"15-delta prostaglandin J2","","","","","","","15-delta prostaglandin J2","","","","","","","","","","","","","","","CCCCC/C=C/C=C/1\[C@@H](C/C=C\CCCC(=O)O)C=CC1=O","","",NA,"PDBC00598","","Absent"
-"Nordihydroguaiaretic acid","","","","","","","nordihydroguaiaretic acid","","","","","","","","","","","","","Masoprocol","","CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2","","4534",NA,"PDBC00599","4291","Present"
-"Raloxifene","","","","","","","raloxifene","","","","","","","","","","","","","Raloxifene","raloxifene","Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4","GZUITABIAKMVPG-UHFFFAOYSA-N","5035",TRUE,"PDBC00600","761389///747974","Present"
-"Sulfasalazine","","","","","","","sulfasalazine","","","","","","","","","","","","","","sulfasalazine","OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O","NCEXYHBECQHGNR-UHFFFAOYSA-N","5353980",TRUE,"PDBC00601","","Present"
-"COX-2 Inhibitor I","","","","","","","LM-1685","","","","","","","","","","","","","","","COC(=O)c1cc2cc(ccc2n1Cc3ccc(Cl)cc3)S(=O)(=O)C","UBZBOEWMQPWUKB-UHFFFAOYSA-N","10068193",NA,"PDBC00602","","Absent"
-"SC-58125","","","","","","","SC-58125","","","","","","","","","","","","","","","CS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(F)(F)F","JHBIMJKLBUMNAU-UHFFFAOYSA-N","115239",NA,"PDBC00603","","Absent"
-"Tomelukast","","","","","","","tomelukast","","","","","","","","","","","","","","","CCCc1c(O)c(ccc1OCCCCc2nnn[nH]2)C(=O)C","MWYHLEQJTQJHSS-UHFFFAOYSA-N","3969",NA,"PDBC00604","","Absent"
-"Wortmannin","","","","","","","wortmannin","","","","","","","","","","","","","WORTMANNIN","","COC[C@H]1OC(=O)c2coc3C(=O)C4=C([C@@H](C[C@@]5(C)C4CCC5=O)OC(=O)C)[C@]1(C)c23","QDLHCMPXEPAAMD-QAIWCSMKSA-N","312145",NA,"PDBC00605","221019","Present"
-"Clofibrate","","","","","","","clofibrate","","","","","","","","","","","","","Clofibrate","clofibrate","CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1","KNHUKKLJHYUCFP-UHFFFAOYSA-N","2796",TRUE,"PDBC00606","79389","Present"
-"MK-886","","","","","","","MK-886","","","","","","","","","","","","","MK-886","","CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c2c1","QAOAOVKBIIKRNL-UHFFFAOYSA-N","3651377",NA,"PDBC00607","736463","Present"
-"Genistein","","","","","","","genistein","","","","","","","","","","","","Genistein","GENISTEIN","","C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
-","TZBJGXHYKVUXJN-UHFFFAOYSA-N","5280961",NA,"PDBC00608","36586","Present"
-"Prednisolone","","","","","","","prednisolone","","","","","","","","","","","","","","prednisolone///prednisolone-acetate","CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O","OIGNJSKKLXVSLS-VWUMJDOOSA-N","5755",TRUE,"PDBC00609","","Present"
-"Thalidomide","","","","","","","thalidomide","thalidomide","","","","","","","","","","","","Thalidomide","","O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13","UEJJHQNACJXSKW-UHFFFAOYSA-N","5426",TRUE,"PDBC00610","66847","Present"
-"Fludrocortisone","","","","","","","fludrocortisone","","","","","","","","","","","","","","","CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C","AAXVEMMRQDVLJB-BULBTXNYSA-N","31378",TRUE,"PDBC00611","","Absent"
-"Quercetin","","","","","","","quercetin","","","","","","","","","","","","Quercetin dihydrate","Quercetin","","Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3","REFJWTPEDVJJIY-UHFFFAOYSA-N","5280343",NA,"PDBC00612","756660///9219","Present"
-"Fulvestrant","","","","","","","fulvestrant","fulvestrant","","","","","","","Fulvestrant","","","","","Fulvestrant","fulvestrant","C[C@@]12CC[C@H]3C([C@@H]2CC[C@@H]1O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34","VWUXBMIQPBEWFH-WCCTWKNTSA-N","104741",TRUE,"PDBC00613","719276","Present"
-"Sulindac sulfide","","","","Sulindac sulfide","","","sulindac sulfide","","","","","","","","","","","","","","","CSc1ccc(C=C2C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1","LFWHFZJPXXOYNR-MFOYZWKCSA-N","5352624",NA,"PDBC00614","","Present"
-"Sulindac sulfone","","","","","","","exisulind","","","","","","","","","","","","","","","CC/1=C(CC(=O)O)c2cc(F)ccc2\C1=C/c3ccc(cc3)S(=O)(=O)C","MVGSNCBCUWPVDA-MFOYZWKCSA-N","5472495",NA,"PDBC00615","","Absent"
-"Flufenamic acid","","","","","","","flufenamic acid","","","","","","","","","","","","","","flufenamic-acid","OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F","LPEPZBJOKDYZAD-UHFFFAOYSA-N","3371",NA,"PDBC00616","","Present"
-"Diclofenac","","","","","","","diclofenac","","","","","","","","","","","","","","","OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl","DCOPUUMXTXDBNB-UHFFFAOYSA-N","3033",TRUE,"PDBC00617","","Absent"
-"Nitrendipine","","","","","","","nitrendipine","","","","","","","","","","","","","","","CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C","PVHUJELLJLJGLN-UHFFFAOYSA-N","4507",NA,"PDBC00618","","Absent"
-"Felodipine","","","","","","","felodipine","","","","","","","","","","","","","","","CCOC(=O)C1=C(C)NC(=C([C@H]1c2cccc(Cl)c2Cl)C(=O)OC)C","RZTAMFZIAATZDJ-UHFFFAOYSA-N","3333",TRUE,"PDBC00619","","Absent"
-"Azathioprine","","","","","","","azathioprine","","","","","","","","","","","","","azathioprine (usan)///Azathioprine Sodium","azathioprine","Cn1cnc([N+](=O)[O-])c1Sc2[nH]cnc3ncnc23","LMEKQMALGUDUQG-UHFFFAOYSA-N","2265",TRUE,"PDBC00620","755900///39084","Present"
-"Fasudil","","","","","","","fasudil","","","","","","","","","","","","","","","O=S(=O)(N1CCCNCC1)c2cccc3cnccc23","LFVPBERIVUNMGV-UHFFFAOYSA-N","163751",NA,"PDBC00621","","Absent"
-"Clozapine","","","","","","","clozapine","","","","","","","","","","","","","","","CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24","ZUXABONWMNSFBN-UHFFFAOYSA-N","2818",TRUE,"PDBC00622","","Absent"
-"Thioridazine","","","","","","","thioridazine","","","","","","","Thioridazine","","","","","Thioridazine hydrochloride","","","CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1","KLBQZWRITKRQQV-UHFFFAOYSA-N","5452",TRUE,"PDBC00623","","Absent"
-"Chlorpromazine","","","","","","","chlorpromazine","","","","","","","","","","","","Chlorpromazine hydrochloride","Chlorpromazine","","CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13","ZPEIMTDSQAKGNT-UHFFFAOYSA-N","2726",TRUE,"PDBC00624","756661///756689","Present"
-"Dibutyryl cAMP","","","","","","","bucladesine","","","","","","","","","","","","Bucladesine sodium salt","","bucladesine","CCCC(=O)Nc1ncnc2n(cnc12)C3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3OC(=O)CCC","CJGYSWNGNKCJSB-YVLZZHOMSA-N","9687",NA,"PDBC00625","","Present"
-"Monastrol","","","","","","","monastrol","","","","","","","","","","","","","Monastrol","","CCOC(=O)C1=C(C)NC(=S)NC1c2cccc(O)c2","LOBCDGHHHHGHFA-UHFFFAOYSA-N","2987927",NA,"PDBC00626","716782","Present"
-"Staurosporine","","","","","","","staurosporine","staurosporine","","","","","","","Staurosporine","","Staurosporine","","","Staurosporine","","CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35","HKSZLNNOFSGOKW-FYTWVXJKSA-N","44259",NA,"PDBC00627","755774///618487","Present"
-"N-Phenylanthranilic acid","","","","","","","N-phenylanthranilic acid","","","","","","","","","","","","","","","OC(=O)c1ccccc1Nc2ccccc2","ZWJINEZUASEZBH-UHFFFAOYSA-N","4386",NA,"PDBC00628","","Absent"
-"Oxamic acid","","","","","","","oxamic acid","","","","","","","","","","","","","","","NC(=O)C(=O)O","SOWBFZRMHSNYGE-UHFFFAOYSA-N","974",NA,"PDBC00629","","Absent"
-"W-13","","","","","","","W-13","","","","","","","","","","","","","","","NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1","QKAALLVQBOLELJ-UHFFFAOYSA-N","16760706",NA,"PDBC00630","","Absent"
-"Arachidonic acid","","","","","","","arachidonic acid","","","","","","","","","","","","","","","CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O","YZXBAPSDXZZRGB-DOFZRALJSA-N","444899",NA,"PDBC00631","","Absent"
-"1,5-isoquinolinediol","","","","","","","1,5-isoquinolinediol","","","","","","","","","","","","","","","Oc1cccc2c(O)nccc12","LFUJIPVWTMGYDG-UHFFFAOYSA-N","1340",NA,"PDBC00632","","Absent"
-"Nocodazole","","","","","","","nocodazole","","","","","","","","","","","","Nocodazole","nocodazole///Nocodazole","nocodazole","COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3","KYRVNWMVYQXFEU-UHFFFAOYSA-N","4122",NA,"PDBC00633","759882///238159","Present"
-"Alvespimycin","","","","","","","alvespimycin","","","","","","","17-DMAG","","","","","","Alvespimycin","alvespimycin","CO[C@@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)/C(=C/C=C\[C@@H](OC)[C@H](OC(=O)N)/C(=C/[C@@H](C)[C@@H]1O)/C)/C)C2=O","KUFRQPKVAWMTJO-LMZWQJSESA-N","5288674",NA,"PDBC00634","707545","Present"
-"Leflunomide","","","","","","","leflunomide","","","","","","","","Leflunomide","","","","","leflunomide","","Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F","VHOGYURTWQBHIL-UHFFFAOYSA-N","3899",TRUE,"PDBC00635","677411","Present"
-"5186324","","","","","","","5186324","","","","","","","","","","","","","","","Brc1ccc(NC(=O)c2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)C(=O)Nc5ccc(Br)cc5)cc1","","",NA,"PDBC00636","","Absent"
-"Butirosina","","","","","","","butirosin","","","","","","","","","","","","","","","NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H]1O","XEQLFNPSYWZPOW-PEILNVOGSA-N","3000429",NA,"PDBC00637","","Absent"
-"5253409","","","","","","","5253409","","","","","","","","","","","","","","","Clc1ccc(C(=O)n2nnc3ccccc23)c(Cl)c1","","",NA,"PDBC00638","","Absent"
-"5140203","","","","","","","5140203","","","","","","","","","","","","","","","[O-][N+](=O)c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1","","",NA,"PDBC00639","","Absent"
-"Ethyl docosa-2,4,6,8,10,12-hexaenoate","","","","","","","docosahexaenoic acid ethyl ester","","","","","","","","","","","","","","","CCOC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC","TYLNXKAVUJJPMU-UHFFFAOYSA-N","150680",NA,"PDBC00640","","Absent"
-"4,5-dianilinophthalimide","","","","","","","4,5-dianilinophthalimide","","","","","","","","","","","","","","CGP-52411","O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc4ccccc4)cc12","AAALVYBICLMAMA-UHFFFAOYSA-N","1697",NA,"PDBC00641","","Present"
-"Fisetin","","","","","","","fisetin","","","","","","","","","","","","","viset","","Oc1ccc2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3","XHEFDIBZLJXQHF-UHFFFAOYSA-N","5281614",NA,"PDBC00642","407010","Present"
-"Hnmpa-(AM)3","","","","","","","HNMPA-(AM)3","","","","","","","","","","","","","","","CC(=O)OCOC(c1ccc2ccccc2c1)P(=O)(OCOC(=O)C)OCOC(=O)C","UQODAZKXEREJLZ-UHFFFAOYSA-N","3619",NA,"PDBC00643","","Absent"
-"U0125","","","","","","","U0125","","","","","","","","","","","","","","","N/C(=C(/C#N)\C(=C(/N)\Sc1ccccc1)\C#N)/Sc2ccccc2","AVMMKRWZZLXNPR-VNXZMULNSA-N","24906258",NA,"PDBC00644","","Absent"
-"Splitomicin","","","","","","","splitomicin","","","","","","","","","","","","","","","O=C1CCc2c(O1)ccc3ccccc23","ISFPDBUKMJDAJH-UHFFFAOYSA-N","5269",NA,"PDBC00645","","Absent"
-"Resveratrol","","","","","","","resveratrol","","","","","","","","","","","","","RESVERATROL","","Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1","LUKBXSAWLPMMSZ-OWOJBTEDSA-N","445154",NA,"PDBC00646","327430","Present"
-"Isotretinoin","","","","","","","isotretinoin///Prestwick-642","","","","","","","","","","","","","Isotretinoin","","C/C(=C\C=C\C(=C/C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C","SHGAZHPCJJPHSC-XFYACQKRSA-N","5282379",TRUE,"PDBC00647","122758","Present"
-"Probucol","","","","","","","probucol","","","","","","","","","","","","Probucol","bisbid","","CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C","FYPMFJGVHOHGLL-UHFFFAOYSA-N","4912",TRUE,"PDBC00648","86225","Present"
-"5666823","","","","","","","5666823","","","","","","","","","","","","","","","CCOC(=O)C1=C(C)NC(=S)NC1c2cccc(OC)c2","","",NA,"PDBC00649","","Absent"
-"Hydroflumethiazide","","","","","","","hydroflumethiazide","","","","","","","","","","","","","","","NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F","DMDGGSIALPNSEE-UHFFFAOYSA-N","3647",TRUE,"PDBC00650","","Absent"
-"Benserazide","","","","","","","benserazide","","","","","","","","","","","","Benserazide hydrochloride","","","NC(CO)C(=O)NNCc1ccc(O)c(O)c1O","BNQDCRGUHNALGH-UHFFFAOYSA-N","2327",NA,"PDBC00651","","Absent"
-"Pentamidine","","","","","","","pentamidine","","","","","","","","","","","","Pentamidine isethionate","pentamide","pentamidine","NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1","XDRYMKDFEDOLFX-UHFFFAOYSA-N","4735",TRUE,"PDBC00652","9921","Present"
-"(-)-Scopolamine","","","","","","","scopolamine","","","","","","","","","","","","","","","CN1C2C[C@@H](C[C@H]1[C@H]3OC32)OC(=O)[C@H](CO)c4ccccc4","STECJAGHUSJQJN-UHFFFAOYSA-N","5184",TRUE,"PDBC00653","","Absent"
-"Bisacodyl","","","","","","","bisacodyl","","","","","","","","","","","","","Bisacodyl, active ingredient of Viraplex///bisacodyl (usan)","bisacodyl","CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3","KHOITXIGCFIULA-UHFFFAOYSA-N","2391",TRUE,"PDBC00654","614826///755914","Present"
-"Acebutolol","","","","","","","acebutolol","","","","","","","","","","","","","","","CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C","GOEMGAFJFRBGGG-UHFFFAOYSA-N","1978",TRUE,"PDBC00655","","Absent"
-"Aceclofenac","","","","","","","aceclofenac","","","","","","","","","","","","","","","OC(=O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl","MNIPYSSQXLZQLJ-UHFFFAOYSA-N","71771",NA,"PDBC00656","","Absent"
-"Acemetacin","","","","","","","acemetacin","","","","","","","","","","","","","","","COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(=O)O)c2c1","FSQKKOOTNAMONP-UHFFFAOYSA-N","1981",NA,"PDBC00657","","Absent"
-"Acenocoumarol","","","","","","","acenocoumarol","","","","","","","","","","","","","","","CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(O)c3ccccc3oc2=O","VABCILAOYCMVPS-UHFFFAOYSA-N","54676537",NA,"PDBC00658","","Absent"
-"Acetaminophen","","","","","","","paracetamol","","","","","","","","","","","","Acetaminophen","","","CC(=O)Nc1ccc(O)cc1","RZVAJINKPMORJF-UHFFFAOYSA-N","1983",NA,"PDBC00659","","Absent"
-"Acetazolamide","","","","","","","acetazolamide","","","","","","","","","","","","","","acetazolamide","CC(=O)Nc1nnc(s1)S(=O)(=O)N","BZKPWHYZMXOIDC-UHFFFAOYSA-N","1986",TRUE,"PDBC00660","","Present"
-"Acetohexamide","","","","","","","acetohexamide","","","","","","","","","","","","","","","CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2","VGZSUPCWNCWDAN-UHFFFAOYSA-N","1989",TRUE,"PDBC00661","","Absent"
-"Acepromazine","","","","","","","acepromazine","","","","","","","","","","","","","","","CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C","NOSIYYJFMPDDSA-UHFFFAOYSA-N","6077",NA,"PDBC00662","","Absent"
-"Acyclovir","","","","","","","aciclovir","","","","","","","","","","","","","","","Nc1nc2n(COCCO)cnc2c(=O)[nH]1","MKUXAQIIEYXACX-UHFFFAOYSA-N","2022",NA,"PDBC00663","","Absent"
-"Adiphenine","","","","","","","adiphenine","","","","","","","","","","","","Adiphenine HCl","","","CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2","JGOAIQNSOGZNBX-UHFFFAOYSA-N","2031",NA,"PDBC00664","","Absent"
-"Ajmalin","","","","","","","ajmaline","","","","","","","","","","","","","","","CC[C@@H]1[C@@H](O)N2C3C[C@@]45C(O)C3C1CC2C5N(C)c6ccccc64","CJDRUOGAGYHKKD-HEFSZTOGSA-N","441080",NA,"PDBC00665","","Absent"
-"Albendazole","","","","","","","albendazole","","","","","","","","","","","","Albendazole","albendazole (usan)","albendazole","CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1","HXHWSAZORRCQMX-UHFFFAOYSA-N","2082",TRUE,"PDBC00666","758644","Present"
-"Salbutamol","","","","","","","salbutamol///Prestwick-665","","","","","","","","","","","","","","","CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","NDAUXUAQIAJITI-UHFFFAOYSA-N","2083",NA,"PDBC00667","","Absent"
-"Alclometasone","","","","","","","alclometasone","","","","","","","","","","","","","","","CCC(=O)OCC(=O)C1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C","FJXOGVLKCZQRDN-PHCHRAKRSA-N","5311000",TRUE,"PDBC00668","","Absent"
-"Alfuzosin","","","","","","","alfuzosin","","","","","","","","","","","","","","","COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)[C@@H]3CCCO3","WNMJYKCGWZFFKR-UHFFFAOYSA-N","2092",TRUE,"PDBC00669","","Absent"
-"Allantoin","","","","","","","allantoin","","","","","","","","","","","","","Alantan","","NC(=O)NC1NC(=O)NC1=O","POJWUDADGALRAB-UHFFFAOYSA-N","204",NA,"PDBC00670","7606","Present"
-"Alprenolol","","","","","","","alprenolol","","","","","","","","","","","","","","","CC(C)NCC(O)COc1ccccc1CC=C","PAZJSJFMUHDSTF-UHFFFAOYSA-N","2119",NA,"PDBC00671","","Absent"
-"Altretamine","","","","","","","altretamine","","","","","","","","","","","","Altretamine","Altretamine","altretamine","CN(C)c1nc(nc(n1)N(C)C)N(C)C","UUVWYPNAQBNQJQ-UHFFFAOYSA-N","2123",TRUE,"PDBC00672","13875","Present"
-"Alverine","","","","","","","alverine","","","","","","","","","","","","","","","CCN(CCCc1ccccc1)CCCc2ccccc2","ZPFXAOWNKLFJDN-UHFFFAOYSA-N","3678",NA,"PDBC00673","","Absent"
-"Amantadine","","","","","","","amantadine","","","","","","","","","","","","","","","NC1(CC2CC3CC(C2)C1)C3","DKNWSYNQZKUICI-UHFFFAOYSA-N","2130",TRUE,"PDBC00674","","Absent"
-"Ambroxol","","","","","","","ambroxol","","","","","","","","","","","","","","","Nc1c(Br)cc(Br)cc1CNC2CCC(O)CC2","JBDGDEWWOUBZPM-XYPYZODXSA-N","2132",NA,"PDBC00675","","Absent"
-"Amikacin","","","","","","","amikacin","","","","","","","","","","","","","","","NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O","LKCWBDHBTVXHDL-RMDFUYIESA-N","37768",TRUE,"PDBC00676","","Absent"
-"Amiloride","","","","","","","amiloride","","","","","","","","","","","","","","","NC(=N)NC(=O)c1nc(Cl)c(N)nc1N","XSDQTOBWRPYKKA-UHFFFAOYSA-N","16231",TRUE,"PDBC00677","","Absent"
-"Aminocaproic acid","","","","","","","aminocaproic acid","","","","","","","","","","","","Aminocaproic acid","","","NCCCCCC(=O)O","SLXKOJJOQWFEFD-UHFFFAOYSA-N","517030",TRUE,"PDBC00678","","Absent"
-"Aminoglutethimide","","","","","","","aminoglutethimide","","","","","","","","","","","","","Aminoglutethimide","aminoglutethimide","CCC1(CCC(=O)NC1=O)c2ccc(N)cc2","ROBVIMPUHSLWNV-UHFFFAOYSA-N","2145",TRUE,"PDBC00679","330915","Present"
-"Aminohippuric acid","","","","","","","aminohippuric acid","","","","","","","","","","","","","","","Nc1ccc(cc1)C(=O)NCC(=O)O","HSMNQINEKMPTIC-UHFFFAOYSA-N","2148",NA,"PDBC00680","","Absent"
-"Aminophylline","","","","","","","aminophylline","","","","","","","","","","","","","","","CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N","FQPFAHBPWDRTLU-UHFFFAOYSA-N","9433",TRUE,"PDBC00681","","Absent"
-"Amiodarone","","","","","","","amiodarone","","","","","","","","","","","","Amiodarone hydrochloride","","","CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3","IYIKLHRQXLHMJQ-UHFFFAOYSA-N","2157",TRUE,"PDBC00682","","Absent"
-"Amoxapine","","","","","","","amoxapine","","","","","","","","","","","","","amoxapine (usan)","","Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1","QWGDMFLQWFTERH-UHFFFAOYSA-N","2170",TRUE,"PDBC00683","759559","Present"
-"Amoxicillin","","","","","","","amoxicillin","","","","","","","","","","","","","","amoxicillin","CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O","LSQZJLSUYDQPKJ-NJBDSQKTSA-N","33613",TRUE,"PDBC00684","","Present"
-"Amphotericin b","","","","","","","amphotericin B","","","","","","","","","","","","","Amphotericin B","","CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O","APKFDSVGJQXUKY-INPOYWNPSA-N","5280965",TRUE,"PDBC00685","527017///755871","Present"
-"Ampicillin","","","","","","","ampicillin","","","","","","","","","","","","","","","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O","AVKUERGKIZMTKX-NJBDSQKTSA-N","6249",TRUE,"PDBC00686","","Absent"
-"Amprolio","","","","","","","amprolium","","","","","","","","","","","","","","amprolium","CCCc1ncc(C[n+]2ccccc2C)c(N)n1","LCTXBFGHZLGBNU-UHFFFAOYSA-M","73341",NA,"PDBC00687","","Present"
-"Amrinone","","","","","","","amrinone","","","","","","","","","","","","","","","Nc1cc(c[nH]c1=O)c2ccncc2","RNLQIBCLLYYYFJ-UHFFFAOYSA-N","3698",TRUE,"PDBC00688","","Absent"
-"Antazoline","","","","","","","antazoline","","","","","","","","","","","","","","","C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3","REYFJDPCWQRWAA-UHFFFAOYSA-N","2200",TRUE,"PDBC00689","","Absent"
-"Apomorphine","","","","","","","apomorphine","","","","","","","","","","","","","","","CN1CCc2cccc-3c2[C@H]1Cc4ccc(O)c(O)c43","VMWNQDUVQKEIOC-CYBMUJFWSA-N","6005",TRUE,"PDBC00690","","Absent"
-"Ascorbic acid","","","","","","","ascorbic acid","","","","","","","","","","","","","Ascorbic Acid","","OCC(O)C1OC(=O)C(=C1O)O","CIWBSHSKHKDKBQ-JLAZNSOCSA-N","54670067",TRUE,"PDBC00691","33832","Present"
-"Atovaquone","","","","","","","atovaquone","","","","","","","","","","","","","","","OC1=C([C@H]2CC[C@@H](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O","KUCQYCKVKVOKAY-CTYIDZIISA-N","74989",TRUE,"PDBC00692","","Absent"
-"Atracurium besylate","","","","","","","atracurium besilate","","","","","","","","","","","","","","","COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC","XXZSQOVSEBAPGS-UHFFFAOYSA-L","47320",NA,"PDBC00693","","Absent"
-"Atropine","","","","","","","atropine","","","","","","","","","","","","","","","CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","RKUNBYITZUJHSG-PJPHBNEVSA-O","21608699",TRUE,"PDBC00694","","Absent"
-"Azacitidine","","","","","","","azacitidine","azacitidine","Azacitidine","","","","","","","","","Azacitidine","Azacytidine-5","Azacitidine///AZACITIDINE","azacitidine","Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1","NMUSYJAQQFHJEW-KVTDHHQDSA-N","9444",TRUE,"PDBC00695","758186///102816","Present"
-"Azlocillin","","","","","","","azlocillin","","","","","","","","","","","","","","","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2C1C(=O)O","JTWOMNBEOCYFNV-NFFDBFGFSA-N","6479523",TRUE,"PDBC00696","","Absent"
-"Azactam","","","","","","","aztreonam","","","","","","","","","","","","","","aztreonam","C[C@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O","WZPBZJONDBGPKJ-VEHQQRBSSA-N","5742832",TRUE,"PDBC00697","","Present"
-"Bacampicillin","","","","","","","bacampicillin","","","","","","","","","","","","","","","CCOC(=O)O[C@@H](C)OC(=O)C1N2C(SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O","PFOLLRNADZZWEX-FFGRCDKISA-N","441397",TRUE,"PDBC00698","","Absent"
-"Bacitracin A","","","","","","","bacitracin","","","","","","","","","","","","","","","CCC(C)C(N)C1=NC(CS1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NCCCCC2NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc4ccccc4)NC(=O)C(NC(=O)C(CCCN)NC2=O)C(C)CC","CLKOFPXJLQSYAH-ABRJDSQDSA-N","10909430",TRUE,"PDBC00699","","Absent"
-"Baclofen","","","","","","","baclofen","","","","","","","","","","","","","","","NCC(CC(=O)O)c1ccc(Cl)cc1","KPYSYYIEGFHWSV-UHFFFAOYSA-N","2284",TRUE,"PDBC00700","","Absent"
-"Bambuterol","","","","","","","bambuterol","","","","","","","","","","","","","","","CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C","ANZXOIAKUNOVQU-UHFFFAOYSA-N","54766",NA,"PDBC00701","","Absent"
-"Beclomethasone","","","","","","","beclometasone","","","","","","","","","","","","","","","CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C","NBMKJKDGKREAPL-DVTGEIKXSA-N","20469",NA,"PDBC00702","","Absent"
-"Bemegride","","","","","","","bemegride","","","","","","","","","","","","","","","CCC1(C)CC(=O)NC(=O)C1","ORRZGUBHBVWWOP-UHFFFAOYSA-N","2310",NA,"PDBC00703","","Absent"
-"Bendroflumethiazide","","","","","","","bendroflumethiazide","","","","","","","","","","","","","","bendroflumethiazide","NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F","HDWIHXWEUNVBIY-UHFFFAOYSA-N","2315",TRUE,"PDBC00704","","Present"
-"Benfluorex","","","","","","","benfluorex","","","","","","","","","","","","","","","CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2","CJAVTWRYCDNHSM-UHFFFAOYSA-N","2318",NA,"PDBC00705","","Absent"
-"Benzoylthiamine monophosphate","","","","","","","benfotiamine","","","","","","","","","","","","","","benfotiamine","C/C(=C(/CCOP(=O)(O)O)\SC(=O)c1ccccc1)/N(Cc2cnc(C)nc2N)C=O","BTNNPSLJPBRMLZ-LGMDPLHJSA-N","3032771",NA,"PDBC00706","","Present"
-"Oxybuprocaine","","","","","","","oxybuprocaine","","","","","","","","","","","","","","","CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC","CMHHMUWAYWTMGS-UHFFFAOYSA-N","4633",NA,"PDBC00707","","Absent"
-"Benzbromarone","","","","","","","benzbromarone","","","","","","","","","","","","","desuric","","CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3","WHQCHUCQKNIQEC-UHFFFAOYSA-N","2333",NA,"PDBC00708","85433","Present"
-"Benzethonium chloride","","","","","","","benzethonium chloride","","","","","","","","","","","","","Benzethonium Chloride","","CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1","UREZNYTWGJKWBI-UHFFFAOYSA-M","8478",NA,"PDBC00709","755908///20200","Present"
-"Benzocaine","","","","","","","benzocaine","","","","","","","","","","","","","","benzocaine","CCOC(=O)c1ccc(N)cc1","BLFLLBZGZJTVJG-UHFFFAOYSA-N","2337",NA,"PDBC00710","","Present"
-"Benzonatate","","","","","","","benzonatate","","","","","","","","","","","","","","","CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC","MAFMQEKGGFWBAB-UHFFFAOYSA-N","7699",TRUE,"PDBC00711","","Absent"
-"Benzthiazide","","","","","","","benzthiazide","","","","","","","","","","","","","","","NS(=O)(=O)c1cc2c(N=C(CSCc3ccccc3)NS2(=O)=O)cc1Cl","NDTSRXAMMQDVSW-UHFFFAOYSA-N","2343",TRUE,"PDBC00712","","Absent"
-"Benzydamine","","","","","","","benzydamine","","","","","","","","","","","","","","benzydamine","CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13","CNBGNNVCVSKAQZ-UHFFFAOYSA-N","12555",NA,"PDBC00713","","Present"
-"Bephenium hydroxynaphthoate","","","","","","","bephenium hydroxynaphthoate","","","","","","","","","","","","","","bephenium-hydroxynaphthoate","C[N+](C)(CCOc1ccccc1)Cc2ccccc2.OC(=O)c1cc2ccccc2cc1O","PMPQCPQAHTXCDK-UHFFFAOYSA-M","54678490",NA,"PDBC00714","","Present"
-"Bepridil","","","","","","","bepridil","","","","","","","","","","","","Bepridil hydrochloride ","","","CC(C)COC[C@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3","UIEATEWHFDRYRU-UHFFFAOYSA-N","2351",TRUE,"PDBC00715","","Absent"
-"Berberine","","","","","","","berberine","","","","","","","","","","","","","","berberine","COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC","YBHILYKTIRIUTE-UHFFFAOYSA-N","2353",NA,"PDBC00716","","Present"
-"Aescin","","","","","","","beta-escin","","","","","","","","","","","","","","","C/C=C(/C)\C(=O)O[C@@H]1[C@H](OC(=O)C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@](C)(CO)C5CC[C@]43C)C2CC1(C)C","AXNVHPCVMSNXNP-ZELRDNAQSA-N","6540709",NA,"PDBC00717","","Absent"
-"Betahistine","","","","","","","betahistine","","","","","","","","","","","","","","","CNCCc1ccccn1","UUQMNUMQCIQDMZ-UHFFFAOYSA-N","2366",NA,"PDBC00718","","Absent"
-"Betamethasone","","","","","","","betamethasone","","","","","","","","","","","","","","betamethasone","C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO","UREBDLICKHMUKA-DVTGEIKXSA-N","9782",TRUE,"PDBC00719","","Present"
-"Betaxolol","","","","","","","betaxolol","","","","","","","","","","","","","","","CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1","NWIUTZDMDHAVTP-UHFFFAOYSA-N","2369",TRUE,"PDBC00720","","Absent"
-"Bethanechol","","","","","","","bethanechol","","","","","","","","","","","","","","","CC(C[N+](C)(C)C)OC(=O)N","XXRMYXBSBOVVBH-UHFFFAOYSA-N","11548",TRUE,"PDBC00721","","Absent"
-"Bezafibrate","","","","","","","bezafibrate","","","","","","","","","","","","","","","CC(C)(Oc1ccc(CCNC(=O)C2C=CC(=Cl)C=C2)cc1)C(=O)O","IIBYAHWJQTYFKB-UHFFFAOYSA-N","39042",NA,"PDBC00722","","Absent"
-"Biotin","","","","","","","biotin","","","","","","","","","","","","","","","OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12","YBJHBAHKTGYVGT-ZKWXMUAHSA-N","171548",TRUE,"PDBC00723","","Absent"
-"Biperiden","","","","","","","biperiden","","","","","","","","","","","","","","","OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4","YSXKPIUOCJLQIE-UHFFFAOYSA-N","2381",TRUE,"PDBC00724","","Absent"
-"Bisoprolol","","","","","","","bisoprolol","","","","","","","","","","","","","","","CC(C)NC[C@H](O)COc1ccc(COCCOC(C)C)cc1","VHYCDWMUTMEGQY-UHFFFAOYSA-N","2405",TRUE,"PDBC00725","","Absent"
-"Bretylium tosylate","","","","","","","bretylium tosilate","","","","","","","","","","","","Bretylium tosylate","","","CC[N+](C)(C)Cc1ccccc1Br","KVWNWTZZBKCOPM-UHFFFAOYSA-M","6100",NA,"PDBC00726","","Absent"
-"Bromocriptine","","","","","","","bromocriptine","","","","","","","","","","","","Bromocryptine mesylate","","","CC(C)CC1N2C(=O)[C@](NC(=O)C3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2(O)[C@@H]7CCCN7C1=O)C(C)C","OZVBMTJYIDMWIL-AYFBDAFISA-N","31101",TRUE,"PDBC00727","","Absent"
-"Bromopride","","","","","","","bromopride","","","","","","","","","","","","","","","CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC","GIYAQDDTCWHPPL-UHFFFAOYSA-N","2446",NA,"PDBC00728","","Absent"
-"Bromperidol","","","","","","","bromperidol","","","","","","","","","","","","","","","OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3","RKLNONIVDFXQRX-UHFFFAOYSA-N","2448",NA,"PDBC00729","","Absent"
-"Brompheniramine","","","","","","","brompheniramine","","","","","","","","","","","","","","","CN(C)CCC(c1ccc(Br)cc1)c2ccccn2","ZDIGNSYAACHWNL-UHFFFAOYSA-N","6834",TRUE,"PDBC00730","","Absent"
-"Pulmicort","","","","","","","budesonide","","","","","","","","","","","","","","","CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4[C@@H](O)CC3(C)[C@@]2(O1)C(=O)CO","VOVIALXJUBGFJZ-KWVAZRHASA-N","5281004",TRUE,"PDBC00731","","Absent"
-"Bufexamac","","","","","","","bufexamac","","","","","","","","","","","","","","","CCCCOc1ccc(CC(=O)NO)cc1","MXJWRABVEGLYDG-UHFFFAOYSA-N","2466",NA,"PDBC00732","","Absent"
-"Buflomedil","","","","","","","buflomedil","","","","","","","","","","","","","","","COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1","OWYLAEYXIQKAOL-UHFFFAOYSA-N","2467",NA,"PDBC00733","","Absent"
-"Bumetanide","","","","","","","bumetanide","","","","","","","","","","","","","","bumetanide","CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O","MAEIEVLCKWDQJH-UHFFFAOYSA-N","2471",TRUE,"PDBC00734","","Present"
-"Bupivacaine","","","","","","","bupivacaine","","","","","","","","","","","","","","","CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C","LEBVLXFERQHONN-UHFFFAOYSA-N","2474",TRUE,"PDBC00735","","Absent"
-"Bupropion","","","","","","","bupropion","","","","","","","","","","","","","","","C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1","SNPPWIUOZRMYNY-UHFFFAOYSA-N","444",TRUE,"PDBC00736","","Absent"
-"Buspirone","","","","","","","buspirone","","","","","","","","","","","","Buspirone hydrochloride","","","O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4","QWCRAEMEVRGPNT-UHFFFAOYSA-N","2477",TRUE,"PDBC00737","","Absent"
-"Butoconazole","","","","","","","butoconazole","","","","","","","","","","","","","BUTOCONAZOLE","","Clc1ccc(CCC(Cn2ccnc2)Sc3c(Cl)cccc3Cl)cc1","SWLMUYACZKCSHZ-UHFFFAOYSA-N","47472",TRUE,"PDBC00738","758658","Present"
-"Calcium D-pantothenate","","","","","","","calcium pantothenate","","","","","","","","","","","","","","","CC(C)(CO)[C@H](O)C(=O)NCCC(=O)O","FAPWYRCQGJNNSJ-UHFFFAOYSA-L","2529",NA,"PDBC00739","","Absent"
-"Cantharidin","","","","","","","cantharidin","","","","","","","","","","","","","kantaridin","","CC12C3CCC(O3)C2(C)C(=O)OC1=O","DHZBEENLJMYSHQ-XCVPVQRUSA-N","5944",NA,"PDBC00740","61805","Present"
-"Captopril","","","","","","","captopril","","","","","","","","","","","","","","","C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O","FAKRSMQSSFJEIM-RQJHMYQMSA-N","44093",TRUE,"PDBC00741","","Absent"
-"Carbachol","","","","","","","carbachol","","","","","","","","","","","","","","carbachol","C[N+](C)(C)CCOC(=O)N","VPJXQGSRWJZDOB-UHFFFAOYSA-O","2551",TRUE,"PDBC00742","","Present"
-"Carbarsone","","","","","","","carbarsone","","","","","","","","","","","","","kutan","","NC(=O)Nc1ccc(cc1)[As](=O)(O)O","WWXBHTZSYYGCSG-UHFFFAOYSA-N","8480",NA,"PDBC00743","32868","Present"
-"Carbenoxolone","","","","","","","carbenoxolone","","","","","","","","","","","","","","","CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O)OC(=O)CCC(=O)O","OBZHEBDUNPOCJG-WBXJDKIVSA-N","636403",NA,"PDBC00744","","Absent"
-"Carbimazole","","","","","","","carbimazole","","","","","","","","","","","","","","","CCOC(=O)n1ccn(C)c1=S","CFOYWRHIYXMDOT-UHFFFAOYSA-N","31072",NA,"PDBC00745","","Absent"
-"Carbinoxamine","","","","","","","carbinoxamine","","","","","","","","","","","","","","","CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2","OJFSXZCBGQGRNV-UHFFFAOYSA-N","2564",TRUE,"PDBC00746","","Absent"
-"Carisoprodol","","","","","","","carisoprodol","","","","","","","","","","","","","","","CCCC(C)(COC(=O)N)COC(=O)NC(C)C","OFZCIYFFPZCNJE-UHFFFAOYSA-N","2576",TRUE,"PDBC00747","","Absent"
-"Carteolol","","","","","","","carteolol","","","","","","","","","","","","","","","CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12","LWAFSWPYPHEXKX-UHFFFAOYSA-N","2583",TRUE,"PDBC00748","","Absent"
-"Cefaclor","","","","","","","cefaclor","","","","","","","","","","","","","","","N[C@H](C(=O)N[C@@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3","QYIYFLOTGYLRGG-GPCCPHFNSA-N","51039",TRUE,"PDBC00749","","Absent"
-"Cefadroxil","","","","","","","cefadroxil","","","","","","","","","","","","","","","CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(=O)O","BOEGTKLJZSQCCD-UEKVPHQBSA-N","47965",TRUE,"PDBC00750","","Absent"
-"Cefamandole","","","","","","","cefamandole","","","","","","","","","","","","","","","Cn1nnnc1SCC2=C(N3C(SC2)[C@H](NC(=O)C(O)c4ccccc4)C3=O)C(=O)O","OLVCFLKTBJRLHI-AXAPSJFSSA-N","456255",TRUE,"PDBC00751","","Absent"
-"Cefazolin","","","","","","","cefazolin","","","","","","","","","","","","Cefazolin sodium salt","","","Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1","MLYYVTUWGNIJIB-BXKDBHETSA-N","33255",TRUE,"PDBC00752","","Absent"
-"Cefixime","","","","","","","cefixime","","","","","","","","","","","","","","","Nc1nc(cs1)/C(=N/OCC(=O)O)/C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C","OKBVVJOGVLARMR-QSWIMTSFSA-N","5362065",TRUE,"PDBC00753","","Absent"
-"Cefmetazole","","","","","","","cefmetazole","","","","","","","","","","","","","","","CO[C@]1(NC(=O)CSCC#N)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C","SNBUBQHDYVFSQF-HIFRSBDPSA-N","42008",TRUE,"PDBC00754","","Absent"
-"Cefoperazone","","","","","","","cefoperazone","","","","","","","","","","","","","","","CCN1CCN(C(=O)NC(C(=O)N[C@H]2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O","GCFBRXLSHGKWDP-XCGNWRKASA-N","44187",TRUE,"PDBC00755","","Absent"
-"Cefotaxime","","","","","","","cefotaxime","","","","","","","","","","","","","","","CON=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)c3csc(N)n3","GPRBEKHLDVQUJE-QSWIMTSFSA-N","5742673",TRUE,"PDBC00756","","Absent"
-"Cefotetan","","","","","","","cefotetan","","","","","","","","","","","","","","","CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C","SRZNHPXWXCNNDU-RHBCBLIFSA-N","53025",TRUE,"PDBC00757","","Absent"
-"Cefotiam","","","","","","","cefotiam","","","","","","","","","","","","","","","CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O","QYQDKDWGWDOFFU-IUODEOHRSA-N","43708",TRUE,"PDBC00758","","Absent"
-"Cefoxitin","","","","","","","cefoxitin","","","","","","","","","","","","","","","CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)N","WZOZEZRFJCJXNZ-ZBFHGGJFSA-N","441199",TRUE,"PDBC00759","","Absent"
-"Cefsulodine","","","","","","","cefsulodin","","","","","","","","","","","","","","","NC(=O)c1cc[n+](CC2=C(N3C(SC2)[C@H](NC(=O)C(c4ccccc4)S(=O)(=O)O)C3=O)C(=O)O)cc1","REACMANCWHKJSM-WXNNVNCASA-N","23702659",NA,"PDBC00760","","Absent"
-"Ceftazidime","","","","","","","ceftazidime","","","","","","","","","","","","","","","CC(C)(ON=C(C(=O)N[C@@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccccc3)c4csc(N)n4)C(=O)O","ORFOPKXBNMVMKC-DWVKKRMSSA-N","5481173",TRUE,"PDBC00761","","Absent"
-"Zinacef","","","","","","","cefuroxime","","","","","","","","","","","","","","","CON=C(C(=O)N[C@H]1C2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)c3ccco3","JFPVXVDWJQMJEE-IZRZKJBUSA-N","5479529",TRUE,"PDBC00762","","Absent"
-"Cephalexin","","","","","","","cefalexin","","","","","","","","","","","","","","","CC1=C(N2[C@H](SC1)[C@@H](NC(=O)[C@@H](N)c3ccccc3)C2=O)C(=O)O","ZAIPMKNFIOOWCQ-UEKVPHQBSA-N","27447",NA,"PDBC00763","","Absent"
-"Cephalothin","","","","","","","cefalotin","","","","","","","","","","","","","","","CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O","XIURVHNZVLADCM-IUODEOHRSA-N","6024",NA,"PDBC00764","","Absent"
-"Cephapirin","","","","","","","cefapirin","","","","","","","","","","","","","","","CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)O","UQLLWWBDSUHNEB-CZUORRHYSA-N","30699",NA,"PDBC00765","","Absent"
-"Cetirizine","","","","","","","cetirizine","","","","","","","","","","","","","","","OC(=O)COCCN1CCN(CC1)[C@@H](c2ccccc2)c3ccc(Cl)cc3","ZKLPARSLTMPFCP-UHFFFAOYSA-N","2678",TRUE,"PDBC00766","","Absent"
-"Chenodeoxycholic acid","","","","","","","chenodeoxycholic acid","","","","","","","","","","","","","chenodeoxycholic acid///Chenodeoxycholic acid","","C[C@H](CCC(=O)O)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C","RUDATBOHQWOJDD-BSWAIDMHSA-N","10133",NA,"PDBC00767","681066///657949","Present"
-"Chlorambucil","","","","","","","chlorambucil","chlorambucil","","","","","","","","","","","","Chlorambucil","chlorambucil","OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl","JCKYGMPEJWAADB-UHFFFAOYSA-N","2708",TRUE,"PDBC00768","3088","Present"
-"Chloramphenicol","","","","","","","chloramphenicol","","","","","","","","","","","","","Chloramphenicol","","OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-]","WIIZWVCIJKGZOK-RKDXNWHRSA-N","5959",TRUE,"PDBC00769","3069","Present"
-"Chlorhexidine","","","","","","","chlorhexidine","","","","","","","","","","","","Chlorhexidine","Chlorhexidine dihydrochloride","chlorhexidine","C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl","GHXZTYHSJHQHIJ-UHFFFAOYSA-N","9552079",TRUE,"PDBC00770","756679","Present"
-"Chlormezanone","","","","","","","chlormezanone","","","","","","","","","","","","","","","CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O","WEQAYVWKMWHEJO-UHFFFAOYSA-N","2717",TRUE,"PDBC00771","","Absent"
-"Chloroquine","","","","Chloroquine","","","chloroquine","","","","","","","","","","","","","","","CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12","WHTVZRBIWZFKQO-UHFFFAOYSA-N","2719",TRUE,"PDBC00772","","Present"
-"Chlorphenesin","","","","","","","chlorphenesin","","","","","","","","","","","","","","","NC(=O)OCC(O)COc1ccc(Cl)cc1","MXOAEAUPQDYUQM-UHFFFAOYSA-N","7697",TRUE,"PDBC00773","","Absent"
-"Chlorpheniramine","","","","","","","chlorphenamine","","","","","","","","","","","","","","","CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2","SOYKEARSMXGVTM-UHFFFAOYSA-N","2725",NA,"PDBC00774","","Absent"
-"Chlortetracycline","","","","","","","chlortetracycline","","","","","","","","","","","","","","","CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O","DHPRQBPJLMKORJ-XRNKAMNCSA-N","54675777",TRUE,"PDBC00775","","Absent"
-"Chlorthalidone","","","","","","","chlortalidone","","","","","","","","","","","","","","","NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc32","JIVPVXMEBJLZRO-UHFFFAOYSA-N","2732",NA,"PDBC00776","","Absent"
-"Chlorzoxazone","","","","","","","chlorzoxazone","","","","","","","","","","","","","","","Clc1ccc2oc(=O)[nH]c2c1","TZFWDZFKRBELIQ-UHFFFAOYSA-N","2733",TRUE,"PDBC00777","","Absent"
-"Ciclopirox","","","","","","","ciclopirox","ciclopirox","","","","","","","","","","","Ciclopirox ethanolamine","","ciclopirox","Cc1cc(C2CCCCC2)n(O)c(=O)c1","SCKYRAXSEDYPSA-UHFFFAOYSA-N","2749",TRUE,"PDBC00778","","Present"
-"Cimetidine","","","","","","","cimetidine","cimetidine","","","","","","","","","","","","Cimetidine","cimetidine","CNC(=NC#N)NCCSCc1nc[nH]c1C","AQIXAKUUQRKLND-UHFFFAOYSA-N","2756",TRUE,"PDBC00779","335308","Present"
-"Cinnarizine","","","","","","","cinnarizine","","","","","","","","","","","","","","","C(/C=C/c1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4","DERZBLKQOCDDDZ-JLHYYAGUSA-N","1547484",NA,"PDBC00780","","Absent"
-"Cinoxacin","","","","","","","cinoxacin","","","","","","","","","","","","","","","CCn1nc(C(=O)O)c(=O)c2cc3OCOc3cc12","VDUWPHTZYNWKRN-UHFFFAOYSA-N","2762",TRUE,"PDBC00781","","Absent"
-"Ciprofloxacin","","","","","","","ciprofloxacin","","","","","","","","","","","","","","","OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O","MYSWGUAQZAJSOK-UHFFFAOYSA-N","2764",TRUE,"PDBC00782","","Absent"
-"Cisapride","","","","","","","cisapride","","","","","","","","","","","","","","","CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c3cc(Cl)c(N)cc3OC","DCSUBABJRXZOMT-UHFFFAOYSA-N","2769",TRUE,"PDBC00783","","Absent"
-"Citalopram","","","","","","","citalopram","","","","","","","","","","","","","","","CN(C)CCC[C@@]1(OCc2cc(C#N)ccc21)c3ccc(F)cc3","WSEQXVZVJXJVFP-UHFFFAOYSA-N","2771",TRUE,"PDBC00784","","Absent"
-"Clebopride","","","","","","","clebopride","","","","","","","","","","","","","","clebopride","COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2","BVPWJMCABCPUQY-UHFFFAOYSA-N","2780",NA,"PDBC00785","","Present"
-"Clemastine","","","","","","","clemastine","","","","","","","","","","","","Clemastine fumarate","","","CN1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3","YNNUSGIPVFPVBX-NHCUHLMSSA-N","26987",TRUE,"PDBC00786","","Absent"
-"Clemizole","","","","","","","clemizole","","","","","","","","","","","","","Clemizole","","Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1","CJXAEXPPLWQRFR-UHFFFAOYSA-N","2782",NA,"PDBC00787","46261","Present"
-"Clenbuterol","","","","","","","clenbuterol","","","","","","","","","","","","","","clenbuterol","CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1","STJMRWALKKWQGH-UHFFFAOYSA-N","2783",NA,"PDBC00788","","Present"
-"Clidinium bromide","","","","","","","clidinium bromide","","","","","","","","","","","","","","","C[N+]1(CCC2CC1)CC2OC(=O)C(O)(c3ccccc3)c4ccccc4","GKEGFOKQMZHVOW-UHFFFAOYSA-M","19004",TRUE,"PDBC00789","","Absent"
-"Clindamycin","","","","","","","clindamycin","","","","","","","","","","","","","","","CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O","KDLRVYVGXIQJDK-AWPVFWJPSA-N","446598",TRUE,"PDBC00790","","Absent"
-"Clioquinol","","","","","","","clioquinol","","","","","","","","","","","","","clioquinol///CLIOQUINOL","","Oc1c(I)cc(Cl)c2cccnc12","QCDFBFJGMNKBDO-UHFFFAOYSA-N","2788",TRUE,"PDBC00791","3531///759822","Present"
-"Clobetasol","","","","","","","clobetasol","","","","","","","","","","","","","","","CCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)C(=O)CCl","FCSHDIVRCWTZOX-DVTGEIKXSA-N","5311051",TRUE,"PDBC00792","","Absent"
-"Clofazimine","","","","","","","clofazimine///Prestwick-685","","","","","","","","","","","","","Clofazimine","clofazimine","CC(C)/N=c/1\cc2n(c3ccc(Cl)cc3)c4ccccc4nc2cc1Nc5ccc(Cl)cc5","WDQPAMHFFCXSNU-UHFFFAOYSA-N","2794",TRUE,"PDBC00793","759283///141046","Present"
-"Clomiphene","","","","","","","clomifene","","","","","","","","","","","","Clomiphene citrate (Z.E) ","","","CCN(CC)CCOc1ccc(cc1)/C(=C(\Cl)/c2ccccc2)/c3ccccc3","GKIRPKYJQBWNGO-QPLCGJKRSA-N","1548955",NA,"PDBC00794","","Absent"
-"Clomipramine","","","","","","","clomipramine","","","","","","","","","","","","Clomipramine hydrochloride","","","CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13","GDLIGKIOYRNHDA-UHFFFAOYSA-N","2801",TRUE,"PDBC00795","","Absent"
-"Clonidine","","","","","","","clonidine","","","","","","","","","","","","","","","Clc1cccc(Cl)c1N=C2NCCN2","GJSURZIOUXUGAL-UHFFFAOYSA-N","2803",TRUE,"PDBC00796","","Absent"
-"Clopamide","","","","","","","clopamide","","","","","","","","","","","","","","clopamide","CC1CCCC(C)N1NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N","LBXHRAWDUMTPSE-UHFFFAOYSA-N","2804",NA,"PDBC00797","","Present"
-"Cloperastine","","","","","","","cloperastine","","","","","","","","","","","","","","","Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3","FLNXBVJLPJNOSI-UHFFFAOYSA-N","2805",NA,"PDBC00798","","Absent"
-"Clotrimazole","","","","","","","clotrimazole","","","","","","","","","","","","","Clotrimazole","clotrimazole","Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4","VNFPBHJOKIVQEB-UHFFFAOYSA-N","2812",TRUE,"PDBC00799","257473///756700","Present"
-"Cloxacillin","","","","","","","cloxacillin","","","","","","","","","","","","","","","Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4Cl","LQOLIRLGBULYKD-JKIFEVAISA-N","6098",TRUE,"PDBC00800","","Absent"
-"Colistin","","","","","","","colistin","","","","","","","","","","","","","","","CC(C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CCN)C(=O)N[C@@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)C(C)C)[C@@H](C)O","YKQOSKADJPQZHB-QNPLFGSASA-N","5311054",TRUE,"PDBC00801","","Absent"
-"Cortisone","","","","","","","cortisone","","","","","","","","","","","","","corlin","","C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO","MFYSYFVPBJMHGN-ZPOLXVRWSA-N","222786",NA,"PDBC00802","9703","Present"
-"Cromolyn","","","","","","","cromoglicic acid","","","","","","","","","","","","","","","OC(COc1cccc2oc(cc(=O)c12)C(=O)O)COc3cccc4oc(cc(=O)c34)C(=O)O","IMZMKUWMOSJXDT-UHFFFAOYSA-N","2882",NA,"PDBC00803","","Absent"
-"Crotamiton","","","","","","","crotamiton","","","","","","","","","","","","","","","CCN(C(=O)/C=C/C)c1ccccc1C","DNTGGZPQPQTDQF-XBXARRHUSA-N","688020",TRUE,"PDBC00804","","Absent"
-"Cyanocobalamin","","","","","","","cyanocobalamin","","","","","","","","","","","","","","","C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@H]2N=C1/C(=C/3\N=C(/C=C/4\N=C(/C(=C\5/[C@@H](CCC(=O)N)[C@](C)(CC(=O)N)[C@@]2(C)N5[Co+]C#N)/C)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\C(C)(C)[C@@H]3CCC(=O)N)/C)OP(=O)(O)O[C@H]6[C@@H](O)[C@H](O[C@@H]6CO)n7cnc8cc(C)c(C)cc78","RMRCNWBMXRMIRW-WZHZPDAFSA-L","60205005",TRUE,"PDBC00805","","Absent"
-"Cyclacillin","","","","","","","ciclacillin","","","","","","","","","","","","","Cyclacillin","","CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O","HGBLNBBNRORJKI-WCABBAIRSA-N","19003",NA,"PDBC00806","88789","Present"
-"Cyclizine","","","","","","","cyclizine","","","","","","","","","","","","","","","CN1CCN(CC1)C(c2ccccc2)c3ccccc3","UVKZSORBKUEBAZ-UHFFFAOYSA-N","6726",TRUE,"PDBC00807","","Absent"
-"Cyclobenzaprine","","","","","","","cyclobenzaprine","","","","","","","","","","","","","","","CN(C)CCC=C1c2ccccc2C=Cc3ccccc13","JURKNVYFZMSNLP-UHFFFAOYSA-N","2895",TRUE,"PDBC00808","","Absent"
-"Cycloheximide","","","","","","","cicloheximide","","","","","","","","","","","","","Cactinomycin///cycloheximide (usan)","cycloheximide","C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](O)CC2CC(=O)NC(=O)C2","YPHMISFOHDHNIV-FSZOTQKASA-N","6197",NA,"PDBC00809","185///758187","Present"
-"Cyclopentolate","","","","","","","cyclopentolate","","","","","","","","","","","","","","","CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2","SKYSRIRYMSLOIN-UHFFFAOYSA-N","2905",TRUE,"PDBC00810","","Absent"
-"Cyproheptadine","","","","","","","cyproheptadine","","","","","","","","","","","","","","cyproheptadine","CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1","JJCFRYNCJDLXIK-UHFFFAOYSA-N","2913",TRUE,"PDBC00811","","Present"
-"Cyproterone","","","","","","","cyproterone","","","","","","","","","","","","","","","CC(=O)[C@@]1(O)CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@@]21C","DUSHUSLJJMDGTE-ZJPMUUANSA-N","5284537",NA,"PDBC00812","","Absent"
-"Tubocurarine chloride","","","","","","","tubocurarine chloride","","","","","","","","","","","","","","","COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c32)cc7)N(C)CCc6cc5OC)c4","JFJZZMVDLULRGK-URLMMPGGSA-O","6000",TRUE,"PDBC00813","","Absent"
-"DTIC-Dome","","","","","","","dacarbazine","dacarbazine","","","","","","","","","","","","DACARBAZINE","dacarbazine","CN(C)N=Nc1[nH]cnc1C(=O)N","FDKXTQMXEQVLRF-ZHACJKMWSA-N","5353562",TRUE,"PDBC00814","45388","Present"
-"Danazol","","","","","","","danazol","","","","","","","","","","","","","","danazol","C[C@@]12CCC3C(CCC4=Cc5oncc5C[C@]34C)C2CC[C@@]1(O)C#C","POZRVZJJTULAOH-LHZXLZLDSA-N","28417",TRUE,"PDBC00815","","Present"
-"Dantrolene","","","","","","","dantrolene","","","","","","","","","","","","","","","[O-][N+](=O)c1ccc(cc1)c2ccc(/C=N/N3CC(=O)NC3=O)o2","OZOMQRBLCMDCEG-VIZOYTHASA-N","6914273",TRUE,"PDBC00816","","Absent"
-"Dapsone","","","","","","","dapsone","","","","","","","","","","","","","dadps","","Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2","MQJKPEGWNLWLTK-UHFFFAOYSA-N","2955",TRUE,"PDBC00817","6091","Present"
-"Daunorubicin","","","","","","","daunorubicin","","","","","","","","","","","","Daunorubicin hydrochloride","DAUNORUBICIN///Daunorubicin","daunorubicin","COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C","STQGQHZAVUOBTE-VGBVRHCVSA-N","30323",TRUE,"PDBC00818","756717///82151///83142","Present"
-"Decamethonium bromide","","","","","","","decamethonium bromide","","","","","","","","","","","","","","","C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C","HLXQFVXURMXRPU-UHFFFAOYSA-L","10921",TRUE,"PDBC00819","","Absent"
-"Dehydroepiandrosterone","","","","","","","prasterone","","","","","","","","","","","","","diandron","","C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]2CCC1=O","FMGSKLZLMKYGDP-USOAJAOKSA-N","5881",TRUE,"PDBC00820","9896","Present"
-"Demecarium bromide","","","","","","","demecarium bromide","","","","","","","","","","","","","","","CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc2cccc(c2)[N+](C)(C)C","YHKBUDZECQDYBR-UHFFFAOYSA-L","5965",TRUE,"PDBC00821","","Absent"
-"Demeclocycline","","","","","","","demeclocycline","","","","","","","","","","","","","","","CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N","FMTDIUIBLCQGJB-SEYHBJAFSA-N","54680690",TRUE,"PDBC00822","","Absent"
-"Dibenzheptropine","","","","","","","deptropine","","","","","","","","","","","","","","","CN1C2CCC1CC(C2)OC3c4ccccc4CCc5ccccc35","ZWPODSUQWXAZNC-PMOLBWCYSA-N","203911",NA,"PDBC00823","","Absent"
-"Dequalinium chloride","","","","","","","dequalinium chloride","","","","","","","","","","","","Dequalinium dichloride","DEQUALINIUM CHLORIDE","","Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34","LTNZEXKYNRNOGT-UHFFFAOYSA-N","10649",NA,"PDBC00824","758394","Present"
-"Desipramine","","","","","","","desipramine","","","","","","","","","","","","","","","CNCCCN1c2ccccc2CCc3ccccc13","HCYAFALTSJYZDH-UHFFFAOYSA-N","2995",TRUE,"PDBC00825","","Absent"
-"Desoxycortone","","","","","","","desoxycortone","","","","","","","","","","","","","","desoxycortone","C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1C(=O)CO","ZESRJSPZRDMNHY-YFWFAHHUSA-N","6166",NA,"PDBC00826","","Present"
-"Dexibuprofen","","","","","","","dexibuprofen","","","","","","","","","","","","","","","CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O","HEFNNWSXXWATRW-JTQLQIEISA-N","39912",NA,"PDBC00827","","Absent"
-"Dextromethorphan","","","","","","","dextromethorphan","","","","","","","","","","","","","","","COc1ccc2C[C@H]3[C@@H]4CCCC[C@@]4(CCN3C)c2c1","MKXZASYAUGDDCJ-NJAFHUGGSA-N","5360696",TRUE,"PDBC00828","","Absent"
-"Diazoxide","","","","","","","diazoxide","","","","","","","","","","","","","","","CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1","GDLBFKVLRPITMI-UHFFFAOYSA-N","3019",TRUE,"PDBC00829","","Absent"
-"Dibucaine","","","","","","","cinchocaine","","","","","","","","","","","","","","","CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","PUFQVTATUTYEAL-UHFFFAOYSA-N","3025",NA,"PDBC00830","","Absent"
-"Dichlorphenamide","","","","","","","diclofenamide","","","","","","","","","","","","","","","NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N","GJQPMPFPNINLKP-UHFFFAOYSA-N","3038",NA,"PDBC00831","","Absent"
-"Dicloxacillin","","","","","","","dicloxacillin","","","","","","","","","","","","","","","Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(Cl)cccc4Cl","YFAGHNZHGGCZAX-JKIFEVAISA-N","18381",TRUE,"PDBC00832","","Absent"
-"Dicumarol","","","","","","","dicoumarol","","","","","","","","","","","","Dicumarol","","","Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc4ccccc14","DOBMPNYZJYQDGZ-UHFFFAOYSA-N","54676038",NA,"PDBC00833","","Absent"
-"Dicyclomine","","","","","","","dicycloverine","","","","","","","","","","","","","","dicycloverine","CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2","CURUTKGFNZGFSE-UHFFFAOYSA-N","3042",NA,"PDBC00834","","Present"
-"Dienestrol","","","","","","","dienestrol","","","","","","","","","","","","","dienestrol (usan)","","C/C=C(/C(=C/C)/c1ccc(O)cc1)\c2ccc(O)cc2","NFDFQCUYFHCNBW-SCGPFSFSSA-N","667476",TRUE,"PDBC00835","756734","Present"
-"Diethylcarbamazine","","","","","","","diethylcarbamazine","","","","","","","","","","","","","","","CCN(CC)C(=O)N1CCN(C)CC1","RCKMWOKWVGPNJF-UHFFFAOYSA-N","3052",TRUE,"PDBC00836","","Absent"
-"Diethylstilbestrol","","","","","","","diethylstilbestrol","","","","","","","","","","","","Diethylstilbestrol","diethylstilbestrol (usan)","","CC/C(=C(/CC)\c1ccc(O)cc1)/c2ccc(O)cc2","RGLYKWWBQGJZGM-ISLYRVAYSA-N","448537",TRUE,"PDBC00837","756736","Present"
-"Diflorasone","","","","","","","diflorasone","","","","","","","","","","","","","","","C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C","WXURHACBFYSXBI-XHIJKXOTSA-N","71415",TRUE,"PDBC00838","","Absent"
-"Diflunisal","","","","","","","diflunisal","","","","","","","","","","","","","","","OC(=O)c1cc(ccc1O)c2ccc(F)cc2F","HUPFGZXOMWLGNK-UHFFFAOYSA-N","3059",TRUE,"PDBC00839","","Absent"
-"Digoxin","","","","","","","digoxin","","","","","","","Digoxin","","","","","Digoxin","DIGOXIN///Digoxin","digoxin","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3O)O[C@H]4CC[C@@]5(C)[C@H](CCC6C5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4","LTMHDMANZUZIPE-PUGKRICDSA-N","2724385",TRUE,"PDBC00840","756738///95100","Present"
-"Dihydroergotamine","","","","","","","dihydroergotamine","","","","","","","","","","","","","","","CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O","LUZRJRNZXALNLM-JGRZULCMSA-N","10531",TRUE,"PDBC00841","","Absent"
-"Dihydrostreptomycin","","","","","","","dihydrostreptomycin","","","","","","","","","","","","","","","CN[C@H]1C(O)C(O)C(CO)OC1OC2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO","ASXBYYWOLISCLQ-HZYVHMACSA-N","439369",NA,"PDBC00842","","Absent"
-"Dilazep","","","","","","","dilazep","","","","","","","","","","","","","","","COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2","QVZCXCJXTMIDME-UHFFFAOYSA-N","3074",NA,"PDBC00843","","Absent"
-"Diloxanide","","","","","","","diloxanide","","","","","","","","","","","","","","","CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1","GZZZSOOGQLOEOB-UHFFFAOYSA-N","11367",NA,"PDBC00844","","Absent"
-"Diltiazem","","","","","","","diltiazem","","","","","","","","","","","","","","","COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C","HSUGRBWQSSZJOP-RTWAWAEBSA-N","39186",TRUE,"PDBC00845","","Absent"
-"Dimenhydrinate","","","","","","","dimenhydrinate","","","","","","","","","","","","","","","CN(C)CCOC(c1ccccc1)c2ccccc2.Cn1c(=O)n(C)c2nc(Cl)[nH]c2c1=O","NFLLKCVHYJRNRH-UHFFFAOYSA-N","10660",TRUE,"PDBC00846","","Absent"
-"Dinoprostone","","","","","","","dinoprostone","","","","","","","","","","","","","","","CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O","XEYBRNLFEZDVAW-ARSRFYASSA-N","5280360",TRUE,"PDBC00847","","Absent"
-"Diphemanil methylsulfate","","","","","","","diphemanil metilsulfate","","","","","","","","","","","","","","","C[N+]1(C)CCC(=C(c2ccccc2)c3ccccc3)CC1","BREMLQBSKCSNNH-UHFFFAOYSA-M","6126",NA,"PDBC00848","","Absent"
-"Diphenhydramine","","","","","","","diphenhydramine","","","","","","","","","","","","","Diphenylhydramine","","CN(C)CCOC(c1ccccc1)c2ccccc2","ZZVUWRFHKOJYTH-UHFFFAOYSA-N","3100",TRUE,"PDBC00849","665800","Present"
-"Diphenidol","","","","","","","difenidol","","","","","","","","","","","","","","","OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3","OGAKLTJNUQRZJU-UHFFFAOYSA-N","3055",NA,"PDBC00850","","Absent"
-"Diphenylpyraline","","","","","","","diphenylpyraline","","","","","","","","","","","","","","","CN1CCC(CC1)OC(c2ccccc2)c3ccccc3","OWQUZNMMYNAXSL-UHFFFAOYSA-N","3103",TRUE,"PDBC00851","","Absent"
-"Dipivefrin","","","","","","","dipivefrine","","","","","","","","","","","","","","","CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1","OCUJLLGVOUDECM-UHFFFAOYSA-N","3105",NA,"PDBC00852","","Absent"
-"Dipyridamole","","","","","","","dipyridamole","","","","","","","","","","","","","Thymidine, 3'-azido-5-bromo-3'-deoxy-5,6-dihydro-6-methoxy-","","OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO","IZEKFCXSFNUWAM-UHFFFAOYSA-N","3108",TRUE,"PDBC00853","619103","Present"
-"Dirithromycin","","","","","","","dirithromycin","","","","","","","","","","","","","","dirithromycin","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O","WLOHNSSYAXHWNR-DWIOZXRMSA-N","6473883",TRUE,"PDBC00854","","Present"
-"Disopyramide","","","","","","","disopyramide","","","","","","","","","","","","Disopyramide","","","CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C","UVTNFZQICZKOEM-UHFFFAOYSA-N","3114",TRUE,"PDBC00855","","Absent"
-"Dobutamine","","","","","","","dobutamine","","","","","","","","","","","","","","","CC(CNCCc1ccc(O)c(O)c1)Cc2cccc(O)c2","JRWZLRBJNMZMFE-UHFFFAOYSA-N","36811",TRUE,"PDBC00856","","Absent"
-"Domperidone","","","","","","","domperidone","","","","","","","","","","","","","Domperidone","domperidone","Clc1ccc2n(C3CCN(CCCn4c(=O)[nH]c5ccccc45)CC3)c(=O)[nH]c2c1","FGXWKSZFVQUSTL-UHFFFAOYSA-N","3151",NA,"PDBC00857","299589","Present"
-"Dosulepin","","","","","","","dosulepin","","","","","","","","","","","","","","","CN(C)CC/C=C\1/c2ccccc2CSc3ccccc13","PHTUQLWOUWZIMZ-BOPFTXTBSA-N","5282426",NA,"PDBC00858","","Absent"
-"Doxazosin","","","","","","","doxazosin","","","","","","","","","","","","","","","COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[C@@H]4COc5ccccc5O4","RUZYUOTYCVRMRZ-UHFFFAOYSA-N","3157",TRUE,"PDBC00859","","Absent"
-"Zonalon","","","","","","","doxepin","","","","","","","","","","","","","","","CN(C)CC/C=C\1/c2ccccc2COc3ccccc13","ODQWQRRAPPTVAG-BOPFTXTBSA-N","667468",TRUE,"PDBC00860","","Absent"
-"Doxycycline","","","","","","","doxycycline","","","","","","","","","","","","","DOXYCYCLINE HYDROCHLORIDE","doxycycline","CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O","SGKRLCUYIXIAHR-AKNGSSGZSA-N","54671203",TRUE,"PDBC00861","756751","Present"
-"Doxylamine","","","","","","","doxylamine","","","","","","","","","","","","","","","CN(C)CCOC(C)(c1ccccc1)c2ccccn2","HCFDWZZGGLSKEP-UHFFFAOYSA-N","3162",TRUE,"PDBC00862","","Absent"
-"Drofenine","","","","","","","drofenine","","","","","","","","","","","","","","","CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2","AGJBLWCLQCKRJP-UHFFFAOYSA-N","3166",NA,"PDBC00863","","Absent"
-"Droperidol","","","","","","","droperidol","","","","","","","","","","","","","dhbp","","Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)n3c(=O)[nH]c4ccccc34","RMEDXOLNCUSCGS-UHFFFAOYSA-N","3168",TRUE,"PDBC00864","169874","Present"
-"Dropropizine","","","","","","","dropropizine","","","","","","","","","","","","","","","OCC(O)CN1CCN(CC1)c2ccccc2","PTVWPYVOOKLBCG-UHFFFAOYSA-N","3169",NA,"PDBC00865","","Absent"
-"Dyclonine","","","","","","","dyclonine","","","","","","","","","","","","","","","CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2","BZEWSEKUUPWQDQ-UHFFFAOYSA-N","3180",TRUE,"PDBC00866","","Absent"
-"Dydrogesterone","","","","","","","dydrogesterone","","","","","","","","","","","","","","","CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C","JGMOKGBVKVMRFX-HQZYFCCVSA-N","9051",TRUE,"PDBC00867","","Absent"
-"Diprophylline","","","","","","","diprophylline","","","","","","","","","","","","","","","Cn1c(=O)n(C)c2ncn(CC(O)CO)c2c1=O","KSCFJBIXMNOVSH-UHFFFAOYSA-N","3182",NA,"PDBC00868","","Absent"
-"Econazole","","","","","","","econazole","","","","","","","","","","","","Econazole","Econazole nitrate///NSC757882///Ecostatin","","C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl","LEZWWPYKPKIXLL-UHFFFAOYSA-N","3198",TRUE,"PDBC00869","243115///757882///187789","Present"
-"Edrophonium chloride","","","","","","","edrophonium chloride","","","","","","","","","","","","","","","CC[N+](C)(C)c1cccc(O)c1","BXKDSDJJOVIHMX-UHFFFAOYSA-N","60204238",TRUE,"PDBC00870","","Absent"
-"Enalapril","","","","","","","enalapril","","","","","","","","","","","","","","","CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O","GBXSMTUPTTWBMN-XIRDDKMYSA-N","40466924",TRUE,"PDBC00871","","Absent"
-"Enoxacin","","","","","","","enoxacin","","","","","","","","","","","","","1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydr...","","CCn1cc(C(=O)O)c(=O)c2cc(F)c(nc12)N3CCNCC3","IDYZIJYBMGIQMJ-UHFFFAOYSA-N","28230148",TRUE,"PDBC00872","629661","Present"
-"Epirizole","","","","","","","epirizole","","","","","","","","","","","","Epirizole","","","COc1cc(C)nn1c2nc(C)cc(OC)n2","RHAXSHUQNIEUEY-UHFFFAOYSA-N","3242",NA,"PDBC00873","","Absent"
-"Equilin","","","","","","","equilin","","","","","","","","","","","","","","","C[C@@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]2CCC1=O","WKRLQDKEXYKHJB-HFTRVMKXSA-N","223368",NA,"PDBC00874","","Absent"
-"Erythromycin","","","","","","","erythromycin","","","","","","","","","","","","","","","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O","ULGZDMOVFRHVEP-RWJQBGPGSA-N","12560",TRUE,"PDBC00875","","Absent"
-"Estrone","","","","","","","estrone","","","","","","","","","","","","","","estrone","CC12CC[C@H]3C(CCc4cc(O)ccc34)[C@@H]2CCC1=O","DNXHEGUUPJUMQT-CBZIJGRNSA-N","5870",TRUE,"PDBC00876","","Present"
-"Estropipate","","","","","","","estropipate","","","","","","","","","","","","","","","C[C@@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]2CCC1=O","HZEQBCVBILBTEP-ZFINNJDLSA-N","5284555",TRUE,"PDBC00877","","Absent"
-"Ethamivan","","","","","","","etamivan","","","","","","","","","","","","","","","CCN(CC)C(=O)c1ccc(O)c(OC)c1","BQJODPIMMWWMFC-UHFFFAOYSA-N","9363",NA,"PDBC00878","","Absent"
-"Ethacrynic acid","","","","","","","etacrynic acid","","","","","","","","","","","","","Ethacrynic Acid","","CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl","AVOLMBLBETYQHX-UHFFFAOYSA-N","3278",NA,"PDBC00879","85791","Present"
-"Ethambutol","","","","","","","ethambutol","","","","","","","","","","","","","","","CC[C@@H](CO)NCCN[C@@H](CC)CO","AEUTYOVWOVBAKS-UWVGGRQHSA-N","14052",TRUE,"PDBC00880","","Absent"
-"Ethionamide","","","","","","","ethionamide","","","","","","","","","","","","","","","CCc1cc(ccn1)C(=S)N","AEOCXXJPGCBFJA-UHFFFAOYSA-N","2761171",TRUE,"PDBC00881","","Absent"
-"Profenamine","","","","","","","profenamine","","","","","","","","","","","","","","","CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13","CDOZDBSBBXSXLB-UHFFFAOYSA-N","3290",NA,"PDBC00882","","Absent"
-"Ethosuximide","","","","","","","ethosuximide","","","","","","","","","","","","","","","CCC1(C)CC(=O)NC1=O","HAPOVYFOVVWLRS-UHFFFAOYSA-N","3291",TRUE,"PDBC00883","","Absent"
-"Ethotoin","","","","","","","ethotoin","","","","","","","","","","","","","","","CCN1C(=O)NC(C1=O)c2ccccc2","SZQIFWWUIBRPBZ-UHFFFAOYSA-N","3292",TRUE,"PDBC00884","","Absent"
-"Ethynodiol","","","","","","","etynodiol","","","","","","","","","","","","","","","CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(=O)C)C#C)[C@@H]3CCC2=C1","JYILPERKVHXLNF-QMNUTNMBSA-N","14687",NA,"PDBC00885","","Absent"
-"Etidronic acid","","","","","","","etidronic acid","","","","","","","","","","","","","","","CC(O)(P(=O)(O)O)P(=O)(O)O","DBVJJBKOTRCVKF-UHFFFAOYSA-N","3305",NA,"PDBC00886","","Absent"
-"Etodolac","","","","","","","etodolac","","","","","","","","","","","","","","","CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12","NNYBQONXHNTVIJ-UHFFFAOYSA-N","3308",TRUE,"PDBC00887","","Absent"
-"Etofylline","","","","","","","etofylline","","","","","","","","","","","","","","","Cn1c(=O)n(C)c2ncn(CCO)c2c1=O","NWPRCRWQMGIBOT-UHFFFAOYSA-N","1892",NA,"PDBC00888","","Absent"
-"Etomidate","","","","","","","etomidate","","","","","","","","","","","","","","","CCOC(=O)c1cncn1[C@@H](C)c2ccccc2","NPUKDXXFDDZOKR-UHFFFAOYSA-N","36339",TRUE,"PDBC00889","","Absent"
-"Pepcid","","","","","","","famotidine","","","","","","","","","","","","","","","NC(=Nc1nc(CSCC/C(=N\S(=O)(=O)N)/N)cs1)N","XUFQPHANEAPEMJ-UHFFFAOYSA-N","3325",TRUE,"PDBC00890","","Absent"
-"Famprofazone","","","","","","","famprofazone","","","","","","","","","","","","Famprofazone","","","CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(c3ccccc3)c1=O","","3326",NA,"PDBC00891","","Absent"
-"Felbinac","","","","","","","felbinac","","","","","","","","","","","","","","","OC(=O)Cc1ccc(cc1)c2ccccc2","QRZAKQDHEVVFRX-UHFFFAOYSA-N","3332",NA,"PDBC00892","","Absent"
-"Fenbendazole","","","","","","","fenbendazole","","","","","","","","","","","","Fenbendazole","fenbendazole (usan)","fenbendazole","COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1","HDDSHPAODJUKPD-UHFFFAOYSA-N","3334",NA,"PDBC00893","757824","Present"
-"Fenbufen","","","","","","","fenbufen","","","","","","","","","","","","","","","OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2","ZPAKPRAICRBAOD-UHFFFAOYSA-N","3335",NA,"PDBC00894","","Absent"
-"Fendiline","","","","","","","fendiline","","","","","","","","","","","","Fendiline hydrochloride","FENDILINE HYDROCHLORIDE","fendiline","CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3","NMKSAYKQLCHXDK-UHFFFAOYSA-N","3336",NA,"PDBC00895","757826","Present"
-"Fenofibrate","","","","","","","fenofibrate","","","","","","","","","","","","","","fenofibrate","CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2","YMTINGFKWWXKFG-UHFFFAOYSA-N","3339",TRUE,"PDBC00896","","Present"
-"Fenoprofen","","","","","","","fenoprofen","","","","","","","","","","","","","Fenoprofen","fenoprofen","CC(C(=O)O)c1cccc(Oc2ccccc2)c1","RDJGLLICXDHJDY-UHFFFAOYSA-N","3342",TRUE,"PDBC00897","755388","Present"
-"Finasteride","","","","","","","finasteride","","","","","","","","","","","","","Finasteride","","CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C","DBEPLOCGEIEOCV-WSBQPABSSA-N","57363",TRUE,"PDBC00898","741485///757443","Present"
-"Flavoxate","","","","","","","flavoxate","","","","","","","","","","","","","","","Cc1c(oc2c(cccc2c1=O)C(=O)OCCN3CCCCC3)c4ccccc4","SPIUTQOUKAMGCX-UHFFFAOYSA-N","3354",TRUE,"PDBC00899","","Absent"
-"Flecainide","","","","","","","flecainide","","","","","","","","","","","","","","","FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2","DJBNUMBKLMJRSA-UHFFFAOYSA-N","3356",TRUE,"PDBC00900","","Absent"
-"Flucytosine","","","","","","","flucytosine","","","","","","","","","","","","","ancotil","","Nc1nc(=O)[nH]cc1F","XRECTZIEBJDKEO-UHFFFAOYSA-N","3366",TRUE,"PDBC00901","103805","Present"
-"Flumequine","","","","","","","flumequine","","","","","","","","","","","","","","","CC1CCc2cc(F)cc3c(=O)c(cn1c23)C(=O)O","DPSPPJIUMHPXMA-UHFFFAOYSA-N","3374",NA,"PDBC00902","","Absent"
-"Flumethasone","","","","","","","flumetasone","","","","","","","","","","","","","Flumethasone","flumethasone","C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO","WXURHACBFYSXBI-GQKYHHCASA-N","16490",NA,"PDBC00903","54702","Present"
-"Flunarizine","","","","","","","flunarizine","","","","","","","","","","","","Flunarizine dihydrochloride","","","Fc1ccc(cc1)C(N2CCN(C/C=C/c3ccccc3)CC2)c4ccc(F)cc4","SMANXXCATUTDDT-QPJJXVBHSA-N","941361",NA,"PDBC00904","","Absent"
-"Flunisolide","","","","","","","flunisolide","","","","","","","","","","","","","","","CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@@]2(O1)C(=O)CO","XSFJVAJPIHIPKU-XWCQMRHXSA-N","82153",TRUE,"PDBC00905","","Absent"
-"Flunixin","","","","","","","flunixin","","","","","","","","","","","","","","","CNCC(O)C(O)C(O)C(O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F","NOOCSNJCXJYGPE-UHFFFAOYSA-N","38081",NA,"PDBC00906","","Absent"
-"Fluocinonide","","","","","","","fluocinonide","","","","","","","","","","","","","","","CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]2C[C@H]3C4C[C@H](F)C5=CC(=O)C=CC5(C)[C@@]4(F)[C@@H](O)C[C@@]31C","WJOHZNCJWYWUJD-IUGZLZTKSA-N","9642",TRUE,"PDBC00907","","Absent"
-"Fluorometholone","","","","","","","fluorometholone","","","","","","","","","","","","","Fluorometholone acetate///Fluorometholone","fluorometholone","CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O","FAOZLTXFLGPHNG-KNAQIMQKSA-N","9878",TRUE,"PDBC00908","47438///33001","Present"
-"Flupentixol","","","","","","","flupentixol","","","","","","","","","","","","","","","OCCN1CCN(CC/C=C\2/c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1","NJMYODHXAKYRHW-DVZOWYKESA-N","5281881",NA,"PDBC00909","","Absent"
-"Flurandrenolide","","","","","","","fludroxycortide","","","","","","","","","","","","","","fludroxycortide","CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO","POPFMWWJOGLOIF-XWCQMRHXSA-N","15209",NA,"PDBC00910","","Present"
-"Flurbiprofen","","","","","","","flurbiprofen","","","","","","","","","","","","","Flurbiprofen","","C[C@H](C(=O)O)c1ccc(c(F)c1)c2ccccc2","SYTBZMRGLBWNTM-UHFFFAOYSA-N","3394",TRUE,"PDBC00911","755404///685701","Present"
-"Fluspirilene","","","","","","","fluspirilene","","","","","","","","","","","","","imap","","Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5","QOYHHIBFXOOADH-UHFFFAOYSA-N","3396",NA,"PDBC00912","772296","Present"
-"Fluticasone","","","","","","","fluticasone","","","","","","","","","","","","","","","CCC(=O)O[C@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C)C(=O)SCF","MGNNYOODZCAHBA-GQKYHHCASA-N","5311101",TRUE,"PDBC00913","","Absent"
-"Fluvastatin","","","","","","","fluvastatin","fluvastatin","","","","","","","","","","","","Fluvastatin","fluvastatin","CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13","FJLGEFLZQAZZCD-MCBHFWOFSA-N","446155",TRUE,"PDBC00914","758896","Present"
-"Fluvoxamine","","","","","","","fluvoxamine","","","","","","","","","","","","","","","COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F","CJOFXWAVKWHTFT-XSFVSMFZSA-N","5324346",TRUE,"PDBC00915","","Absent"
-"Folic acid","","","","","","","folic acid","","","","","","","","","","","","","","","Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2[nH]1","OVBPIULPVIDEAO-LBPRGKRZSA-N","6037",TRUE,"PDBC00916","","Absent"
-"Forskolin","","","","","","","colforsin","","","","","","","","","","","","","forskolin","forskolin","CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C","OHCQJHSOBUTRHG-KGGHGJDLSA-N","47936",NA,"PDBC00917","375489","Present"
-"Fosfosal","","","","","","","fosfosal","","","","","","","","","","","","","","","OC(=O)c1ccccc1OP(=O)(O)O","FFKUDWZICMJVPA-UHFFFAOYSA-N","3418",NA,"PDBC00918","","Absent"
-"Furaltadone","","","","","","","furaltadone","","","","","","","","","","","","","levofuraltadone (usan)","","[O-][N+](=O)c1ccc(C=NN2CC(CN3CCOCC3)OC2=O)o1","YVQVOQKFMFRVGR-VGOFMYFVSA-N","9553856",NA,"PDBC00919","527986","Present"
-"Furazolidone","","","","","","","furazolidone","","","","","","","","","","","","","","","","PLHJDBGFXBMTGZ-WEVVVXLNSA-N","5323714",TRUE,"PDBC00920","","Absent"
-"Furosemide","","","","","","","furosemide","","","","","","","","","","","","Furosemide","","","NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl","ZZUFCTLCJUWOSV-UHFFFAOYSA-N","3440",TRUE,"PDBC00921","","Absent"
-"Gabapentin","","","","","","","gabapentin","","","","","","","","","","","","Gabapentin","","","NCC1(CC(=O)O)CCCCC1","UGJMXCAKCUNAIE-UHFFFAOYSA-N","3446",TRUE,"PDBC00922","","Absent"
-"Gabexate","","","","","","","gabexate","","","","","","","","","","","","","","","CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1","YKGYIDJEEQRWQH-UHFFFAOYSA-N","3447",NA,"PDBC00923","","Absent"
-"Gallamine triethiodide","","","","","","","gallamine triethiodide","","","","","","","","","","","","","","","CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC","REEUVFCVXKWOFE-UHFFFAOYSA-K","6172",TRUE,"PDBC00924","","Absent"
-"Ganciclovir","","","","","","","ganciclovir","","","","","","","","","","","","","","","Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1","IRSCQMHQWWYFCW-UHFFFAOYSA-N","3454",TRUE,"PDBC00925","","Absent"
-"Gemfibrozil","","","","","","","gemfibrozil","","","","","","","","","","","","","","","Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1","HEMJJKBWTPKOJG-UHFFFAOYSA-N","3463",TRUE,"PDBC00926","","Absent"
-"Gentamicin","","","","","","","gentamicin","","","","","","","","","","","","","","","CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1","CEAZRRDELHUEMR-UHFFFAOYSA-N","3467",TRUE,"PDBC00927","","Absent"
-"Gliclazide","","","","","","","gliclazide","","","","","","","","","","","","","","","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2","BOVGTQGAOIONJV-UHFFFAOYSA-N","3475",NA,"PDBC00928","","Absent"
-"Glimepiride","","","","","","","glimepiride","","","","","","","","","","","","","","","CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)C1=O","WIGIZIANZCJQQY-UHFFFAOYSA-N","3476",TRUE,"PDBC00929","","Absent"
-"Glipizide","","","","","","","glipizide","","","","","","","","","","","","","","","Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3","ZJJXGWJIGJFDTL-UHFFFAOYSA-N","3478",TRUE,"PDBC00930","","Absent"
-"Glycopyrrolate","","","","","","","glycopyrronium bromide","","","","","","","","","","","","Glycopyrrolate","","","C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3","VPNYRYCIDCJBOM-UHFFFAOYSA-M","11693",NA,"PDBC00931","","Absent"
-"Griseofulvin","","","","","","","griseofulvin","","","","","","","","","","","","","","","COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl","DDUHZTYCFQRHIY-RBHXEPJQSA-N","441140",TRUE,"PDBC00932","","Absent"
-"Guaifenesin","","","","","","","guaifenesin","","","","","","","","","","","","","Guaifenesin","","COc1ccccc1OCC(O)CO","HSRJKNPTNIJEKV-UHFFFAOYSA-N","3516",TRUE,"PDBC00933","62112","Present"
-"Guanabenz","","","","","","","guanabenz","","","","","","","","","","","","","Guanabenz","","NC(=N)N/N=C/c1c(Cl)cccc1Cl","WDZVGELJXXEGPV-YIXHJXPBSA-N","5702063",TRUE,"PDBC00934","68982","Present"
-"Guanethidine","","","","","","","guanethidine","","","","","","","","","","","","","","","NC(=N)NCCN1CCCCCCC1","ACGDKVXYNVEAGU-UHFFFAOYSA-N","3518",TRUE,"PDBC00935","","Absent"
-"Guanfacine","","","","","","","guanfacine","","","","","","","","","","","","","","","NC(=N)NC(=O)Cc1c(Cl)cccc1Cl","INJOMKTZOLKMBF-UHFFFAOYSA-N","3519",TRUE,"PDBC00936","","Absent"
-"Halcinonide","","","","","","","halcinonide","","","","","","","","","","","","","","halcinonide","CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)[C@@]4(F)C(O)CC3(C)[C@@]2(O1)C(=O)CCl","MUQNGPZZQDCDFT-JNQJZLCISA-N","443943",TRUE,"PDBC00937","","Present"
-"Hesperidin","","","","","","","hesperidin","","","","","","","","","","","","","","","COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2","QUQPHWDTPGMPEX-QJBIFVCTSA-N","10621",NA,"PDBC00938","","Absent"
-"Hexetidine","","","","","","","hexetidine","","","","","","","","","","","","Hexetidine","","","CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1","ZSHBZCXOMHHPCE-UHFFFAOYSA-N","58592337",NA,"PDBC00939","","Absent"
-"Hexylcaine","","","","","","","hexylcaine","","","","","","","","","","","","Hexylcaine hydrochloride","","","CC(CNC1CCCCC1)OC(=O)c2ccccc2","DKLKMKYDWHYZTD-UHFFFAOYSA-N","10770",TRUE,"PDBC00940","","Absent"
-"Homochlorcyclizine","","","","","","","homochlorcyclizine","","","","","","","","","","","","Homochlorcyclizine dihydrochloride","","","CN1CCCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3","WEUCDJCFJHYFRL-UHFFFAOYSA-N","3627",NA,"PDBC00941","","Absent"
-"Hydralazine","","","","","","","hydralazine","","","","","","","","","","","","","","","NNc1nncc2ccccc12","RPTUSVTUFVMDQK-UHFFFAOYSA-N","3637",TRUE,"PDBC00942","","Absent"
-"Hydrochlorothiazide","","","","","","","hydrochlorothiazide","","","","","","","","","","","","","hctz","","NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl","JZUFKLXOESDKRF-UHFFFAOYSA-N","3639",TRUE,"PDBC00943","53477","Present"
-"Hydrocortisone","","","","","","","hydrocortisone","","","","","","","","","","","","Cortisol acetate","Desoximetasone","hydrocortisone","C[C@@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO","JYGXADMDTFJGBT-VWUMJDOOSA-N","5754",TRUE,"PDBC00944","10482///10483","Present"
-"Hydroxyzine","","","","","","","hydroxyzine","","","","","","","","","","","","","","","OCCOCCN1CCN(CC1)[C@H](c2ccccc2)c3ccc(Cl)cc3","ZQDWXGKKHFNSQK-UHFFFAOYSA-N","3658",TRUE,"PDBC00945","","Absent"
-"Hymecromone","","","","","","","hymecromone","","","","","","","","","","","","","medilla","","Cc1cc(=O)oc2cc(O)ccc12","HSHNITRMYYLLCV-UHFFFAOYSA-N","5280567",NA,"PDBC00946","9408","Present"
-"Idoxuridine","","","","","","","idoxuridine","","","","","","","","","","","","","IDOXURIDINE","idoxuridine","OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)c(=O)[nH]c2=O","XQFRJNBWHJMXHO-RRKCRQDMSA-N","5905",TRUE,"PDBC00947","39661","Present"
-"Ifenprodil","","","","","","","ifenprodil","","","","","","","","","","","","","","","CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2","UYNVMODNBIQBMV-UHFFFAOYSA-N","3689",NA,"PDBC00948","","Absent"
-"Ifosfamide","","","","","","","ifosfamide","ifosfamide","","","","","","","","","","","","Ifosfamide","ifosfamide","ClCCN[P@]1(=O)OCCCN1CCCl","HOMGKSMUEGBAAB-UHFFFAOYSA-N","3690",TRUE,"PDBC00949","109724","Present"
-"Imipramine","","","","","","","imipramine","","","","","","","","","","","","","","","CN(C)CCCN1c2ccccc2CCc3ccccc13","BCGWQEUPMDMJNV-UHFFFAOYSA-N","3696",TRUE,"PDBC00950","","Absent"
-"Indapamide","","","","","","","indapamide","","","","","","","","","","","","","","","CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N","NDDAHWYSQHTHNT-UHFFFAOYSA-N","3702",TRUE,"PDBC00951","","Absent"
-"Indoprofen","","","","","","","indoprofen","","","","","","","","","","","","","","indoprofen","CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O","RJMIEHBSYVWVIN-UHFFFAOYSA-N","3718",NA,"PDBC00952","","Present"
-"Iocetamic acid","","","","","","","iocetamic acid","","","","","","","","","","","","","","","CC(CN(C(=O)C)c1c(I)cc(I)c(N)c1I)C(=O)O","GSVQIUGOUKJHRC-UHFFFAOYSA-N","27648",TRUE,"PDBC00953","","Absent"
-"Iodipamide","","","","","","","adipiodone","","","","","","","","","","","","Iodipamide","","iodipamide","OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I","FFINMCNLQNTKLU-UHFFFAOYSA-N","3739",NA,"PDBC00954","","Present"
-"Iohexol","","","","","","","iohexol","","","","","","","","","","","","","","","CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I","NTHXOOBQLCIOLC-UHFFFAOYSA-N","3730",TRUE,"PDBC00955","","Absent"
-"Iopamidol","","","","","","","iopamidol","","","","","","","","","","","","","","","C[C@@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","XQZXYNRDCRIARQ-UHFFFAOYSA-N","3734",TRUE,"PDBC00956","","Absent"
-"Iopanoic acid","","","","","","","iopanoic acid","","","","","","","","","","","","","","","CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O","OIRFJRBSRORBCM-UHFFFAOYSA-N","3735",TRUE,"PDBC00957","","Absent"
-"Iopromide","","","","","","","iopromide","","","","","","","","","","","","","","","COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I","DGAIEPBNLOQYER-UHFFFAOYSA-N","3736",TRUE,"PDBC00958","","Absent"
-"Ioversol","","","","","","","ioversol","","","","","","","","","","","","","","","OCCN(C(=O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I","AMDBBAQNWSUWGN-UHFFFAOYSA-N","3741",TRUE,"PDBC00959","","Absent"
-"Ipratropium bromide","","","","","","","ipratropium bromide","","","","","","","","","","","","","","","CC(C)[N+]1(C)C2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3","LHLMOSXCXGLMMN-WDTICOSOSA-M","31098",TRUE,"PDBC00960","","Absent"
-"Isocarboxazid","","","","","","","isocarboxazid","","","","","","","","","","","","","","","Cc1cc(no1)C(=O)NNCc2ccccc2","XKFPYPQQHFEXRZ-UHFFFAOYSA-N","3759",TRUE,"PDBC00961","","Absent"
-"Isoetharine","","","","","","","isoetarine","","","","","","","","","","","","","","isoetharine","CCC(NC(C)C)C(O)c1ccc(O)c(O)c1","HUYWAWARQUIQLE-UHFFFAOYSA-N","3762",NA,"PDBC00962","","Present"
-"Isoniazid","","","","","","","isoniazid","","","","","","","","","","","","","","","NNC(=O)c1ccncc1","QRXWMOHMRWLFEY-UHFFFAOYSA-N","3767",TRUE,"PDBC00963","","Absent"
-"Isopropamide Iodide","","","","","","","isopropamide iodide","","","","","","","","","","","","","","","CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C","BFSMWENDZZIWPW-UHFFFAOYSA-N","6284",TRUE,"PDBC00964","","Absent"
-"Isosorbide","","","","","","","isosorbide","","","","","","","","","","","","","","","[O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+](=O)[O-]","KLDXJTOLSGUMSJ-JGWLITMVSA-N","12597",TRUE,"PDBC00965","","Absent"
-"Isradipine","","","","","","","isradipine","","","","","","","","","","","","Isradipine","","","COC(=O)C1=C(C)NC(=C([C@@H]1c2cccc3nonc23)C(=O)OC(C)C)C","HMJIYCCIJYRONP-UHFFFAOYSA-N","3784",TRUE,"PDBC00966","","Absent"
-"Ivermectin","","","","","","","ivermectin","","","","","","","","","","","","Ivermectin","","ivermectin","CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C/C=C(\C)/[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6\CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@@]76O)C)O2","AZSNMRSAGSSBNP-NDJJZKGWSA-N","71749648",TRUE,"PDBC00967","","Present"
-"Josamycin","","","","","","","josamycin","","","","","","","","","","","","","","josamycin","CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O","XJSFLOJWULLJQS-NGVXBBESSA-N","5282165",NA,"PDBC00968","","Present"
-"Ketanserin","","","","","","","ketanserin","","","","","","","","","","","","","","","Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2","FPCCSQOGAWCVBH-UHFFFAOYSA-N","3822",NA,"PDBC00969","","Absent"
-"Xolegel","","","","","","","ketoconazole","","","","","","","","","","","","","Ketoconazole","ketoconazole","CC(=O)N1CCN(CC1)c2ccc(OCC3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2","XMAYWYJOQHXEEK-OZXSUGGESA-N","47576",TRUE,"PDBC00970","317629","Present"
-"Ketoprofen","","","","","","","ketoprofen","","","","","","","","","","","","","","ketoprofen","CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2","DKYWVDODHFEZIM-UHFFFAOYSA-N","3825",TRUE,"PDBC00971","","Present"
-"Ketorolac","","","","","","","ketorolac","","","","","","","","","","","","","","","OC(=O)C1CCn2c(ccc12)C(=O)c3ccccc3","OZWKMVRBQXNZKK-UHFFFAOYSA-N","3826",TRUE,"PDBC00972","","Absent"
-"Ketotifen","","","","","","","ketotifen","","","","","","","","","","","","","","","CN1CCC(=C2c3ccsc3C(=O)Cc4ccccc24)CC1","ZCVMWBYGMWKGHF-UHFFFAOYSA-N","3827",TRUE,"PDBC00973","","Absent"
-"Khellin","","","","","","","khellin","","","","","","","","","","","","","","","COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13","HSMPDPBYAYSOBC-UHFFFAOYSA-N","3828",NA,"PDBC00974","","Absent"
-"Levodopa","","","","","","","levodopa","","","","","","","","","","","","","","","N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O","WTDRDQBEARUVNC-LURJTMIESA-N","6047",TRUE,"PDBC00975","","Absent"
-"Labetalol","","","","","","","labetalol","","","","","","","","","","","","","","","CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N","SGUAFYQXFOLMHL-UHFFFAOYSA-N","3869",TRUE,"PDBC00976","","Absent"
-"Lansoprazole","","","","","","","lansoprazole","","","","","","","","","","","","","","","Cc1c(CS(=O)c2nc3ccccc3[nH]2)nccc1OCC(F)(F)F","MJIHNNLFOKEZEW-UHFFFAOYSA-N","3883",TRUE,"PDBC00977","","Absent"
-"Letrozole","","","","","","","letrozole","","","","","","","","","","","","","Letrozole","letrozole","N#Cc1ccc(cc1)C(c2ccc(C#N)cc2)n3cncn3","HPJKCIUCZWXJDR-UHFFFAOYSA-N","3902",TRUE,"PDBC00978","719345","Present"
-"Leucovorin calcium","","","","","","","calcium folinate","","","","","","","","","","","","","CALCIUM LEUCOVORIN","","C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.[Ca+2]","KVUAALJSMIVURS-ZEDZUCNESA-N","135436482",NA,"PDBC00979","3590","Present"
-"Guanadrel","","","","","","","guanadrel","","","","","","","","","","","","","","","NC(=N)NCC1COC2(CCCCC2)O1","HPBNRIOWIXYZFK-UHFFFAOYSA-N","38521",TRUE,"PDBC00980","","Absent"
-"Tetramisole","","","","","","","tetramisole","","","","","","","","","","","","","","","C1CN2CC(N=C2S1)c3ccccc3","HLFSDGLLUJUHTE-UHFFFAOYSA-N","3913",NA,"PDBC00981","","Absent"
-"Levobunolol","","","","","","","levobunolol","","","","","","","","","","","","","","levobunolol","CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12","IXHBTMCLRNMKHZ-LBPRGKRZSA-N","39468",TRUE,"PDBC00982","","Present"
-"Levocabastine","","","","","","","levocabastine","","","","","","","","","","","","","","","C[C@@H]1CN(CC[C@]1(C(=O)O)c2ccccc2)[C@H]3CC[C@](CC3)(C#N)c4ccc(F)cc4","ZCGOMHNNNFPNMX-YHYDXASRSA-N","54385",TRUE,"PDBC00983","","Absent"
-"Levonordefrin","","","","","","","corbadrine","","","","","","","","","","","","","","","C[C@H](N)[C@H](O)c1ccc(O)c(O)c1","GEFQWZLICWMTKF-CDUCUWFYSA-N","164739",NA,"PDBC00984","","Absent"
-"Levopropoxyphene","","","","","","","levopropoxyphene","","","","","","","","","","","","","","","CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c2ccccc2.OS(=O)(=O)c1ccc2ccccc2c1","XLMALTXPSGQGBX-GCJKJVERSA-N","10100",TRUE,"PDBC00985","","Absent"
-"Levothyroxine sodium","","","","","","","levothyroxine sodium","","","","","","","","","","","","","","","N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O","XUIIKFGFIJCVMT-LBPRGKRZSA-N","25201348",TRUE,"PDBC00986","","Absent"
-"Lidocaine","","","","","","","lidocaine","","","","","","","","","","","","","","lidocaine","CCN(CC)CC(=O)Nc1c(C)cccc1C","NNJVILVZKWQKPM-UHFFFAOYSA-N","3676",TRUE,"PDBC00987","","Present"
-"Lincomycin","","","","","","","lincomycin","","","","","","","","","","","","","","","CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@@H]([C@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O","OJMMVQQUTAEWLP-KIDUDLJLSA-N","3000540",TRUE,"PDBC00988","","Absent"
-"Liothyronine","","","","","","","liothyronine","","","","","","","","","","","","","","","NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O","AUYYCJSJGJYCDS-LBPRGKRZSA-N","5920",TRUE,"PDBC00989","","Absent"
-"Lisinopril","","","","","","","lisinopril","","","","","","","","","","","","","","","NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O","RLAWWYSOJDYHDC-BZSNNMDCSA-N","11865407",TRUE,"PDBC00990","","Absent"
-"Lisuride","","","","","","","lisuride","","","","","","","","","","","","","","","CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34","BKRGVLQUQGGVSM-KBXCAEBGSA-N","28864",NA,"PDBC00991","","Absent"
-"Lobeline","","","","","","","lobeline","","","","","","","","","","","","","","","CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c3ccccc3","MXYUKLILVYORSK-HBMCJLEFSA-N","101616",NA,"PDBC00992","","Absent"
-"Lomefloxacin","","","","","","","lomefloxacin","","","","","","","","","","","","","","lomefloxacin","CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12","ZEKZLJVOYLTDKK-UHFFFAOYSA-N","3948",TRUE,"PDBC00993","","Present"
-"Lomustine","","","","","","","lomustine","","","","","","","","","","","","","Lomustine","","ClCCN(N=O)C(=O)NC1CCCCC1","GQYIWUVLTXOXAJ-UHFFFAOYSA-N","3950",TRUE,"PDBC00994","79037","Present"
-"Loperamide","","","","","","","loperamide","","","","","","","","","","","","Loperamide hydrochloride","","","CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4","RDOIQAHITMMDAJ-UHFFFAOYSA-N","3955",TRUE,"PDBC00995","","Absent"
-"Loracarbef","","","","","","","loracarbef","","","","","","","","","","","","","","","N[C@@H](C(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3","JAPHQRWPEGVNBT-UTUOFQBUSA-M","45266920",TRUE,"PDBC00996","","Absent"
-"Lovastatin","","","","","","","lovastatin","lovastatin","","","","","","","","","Lovastatin","","Lovastatin","K287///Lovastatin","lovastatin","CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12","PCZOHLXUXFIOCF-BXMDZJJMSA-N","53232",TRUE,"PDBC00997","779704///758662///633781","Present"
-"Loxapine","","","","","","","loxapine","","","","","","","","","","","","","","","CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24","XJGVXQDUIWGIRW-UHFFFAOYSA-N","3964",TRUE,"PDBC00998","","Absent"
-"Maprotiline","","","","","","","maprotiline","","","","","","","","","","","","Maprotiline hydrochloride","","maprotiline","CNCCCC1(CCC2c3ccccc31)c4ccccc24","QSLMDECMDJKHMQ-UHFFFAOYSA-N","4011",TRUE,"PDBC00999","","Present"
-"Mebeverine","","","","","","","mebeverine","","","","","","","","","","","","","","","CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2","VYVKHNNGDFVQGA-UHFFFAOYSA-N","4031",NA,"PDBC01000","","Absent"
-"Mebhydrolin","","","","","","","mebhydrolin","","","","","","","","","","","","","","","CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4","FQQIIPAOSKSOJM-UHFFFAOYSA-N","22530",NA,"PDBC01001","","Absent"
-"Mecamylamine","","","","","","","mecamylamine","","","","","","","","","","","","","","","CNC1(C)C2CCC(C2)C1(C)C","IMYZQPCYWPFTAG-UHFFFAOYSA-N","4032",TRUE,"PDBC01002","","Absent"
-"Meclizine","","","","","","","meclozine","","","","","","","","","","","","Meclozine dihydrochloride","","meclizine","Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1","OCJYIGYOJCODJL-UHFFFAOYSA-N","4034",NA,"PDBC01003","","Present"
-"Meclocycline","","","","","","","meclocycline","","","","","","","","","","","","","","","CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N","RNIADBXQDMCFEN-IWVLMIASSA-N","54676539",TRUE,"PDBC01004","","Absent"
-"Meclofenamic acid","","","","","","","meclofenamic acid","","","","","","","","","","","","","","","Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl","SBDNJUWAMKYJOX-UHFFFAOYSA-N","4037",NA,"PDBC01005","","Absent"
-"Meclofenoxate","","","","","","","meclofenoxate","","","","","","","","","","","","","","","CN(C)CCOC(=O)COc1ccc(Cl)cc1","XZTYGFHCIAKPGJ-UHFFFAOYSA-N","4039",NA,"PDBC01006","","Absent"
-"Medrysone","","","","","","","medrysone","","","","","","","","","","","","","","","C[C@H]1CC2C3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)C2[C@@]4(C)CCC(=O)C=C14","GZENKSODFLBBHQ-ILSZZQPISA-N","247839",TRUE,"PDBC01007","","Absent"
-"Mefenamic acid","","","","","","","mefenamic acid","","","","","","","","","","","","","","","Cc1cccc(Nc2ccccc2C(=O)O)c1C","HYYBABOKPJLUIN-UHFFFAOYSA-N","4044",TRUE,"PDBC01008","","Absent"
-"Megestrol","","","","","","","megestrol","","","","","","","","","","","","","","","CC1=C(N2[C@H](SC1)[C@@H](NC(=O)[C@@H](N)C3=CCC=CC3)C2=O)C(=O)O","VXIMPSPISRVBPZ-NWUMPJBXSA-N","19090",TRUE,"PDBC01009","","Absent"
-"Melatonin","","","","","","","melatonin","","","","","","","","","","","","","Melatonin","","COc1ccc2[nH]cc(CCNC(=O)C)c2c1","DRLFMBDRBRZALE-UHFFFAOYSA-N","896",NA,"PDBC01010","56423","Present"
-"Memantine","","","","","","","memantine","","","","","","","","","","","","","","","CC1(CC2CC3(C)C1)CC(N)(C2)C3","BUGYDGFZZOZRHP-UHFFFAOYSA-N","4054",TRUE,"PDBC01011","","Absent"
-"Menadione","","","","","","","menadione","","","","","","","","","","","","","kipca","menadione","CC1=CC(=O)c2ccccc2C1=O","MJVAVZPDRWSRRC-UHFFFAOYSA-N","4055",TRUE,"PDBC01012","4170","Present"
-"Mepenzolate bromide","","","","","","","mepenzolate bromide","","","","","","","","","","","","","","","C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3","JRRNZNSGDSFFIR-UHFFFAOYSA-M","6461",TRUE,"PDBC01013","","Absent"
-"Mephentermine","","","","","","","mephentermine","","","","","","","","","","","","","","","CNC(C)(C)Cc1ccccc1","RXQCGGRTAILOIN-UHFFFAOYSA-N","3677",TRUE,"PDBC01014","","Absent"
-"Meropenem","","","","","","","meropenem","","","","","","","","","","","","Meropenem","","","C[C@@H](O)[C@H]([C@@H]1N=C([C@H](S[C@@H]2CN[C@H](C2)C(=O)N(C)C)[C@@H]1C)C(=O)O)C(=O)O","DMJNNHOOLUXYBV-PQTSNVLCSA-N","40466974",TRUE,"PDBC01015","","Absent"
-"Mesoridazine","","","","","","","mesoridazine","","","","","","","","","","","","","lidanil","mesoridazine","CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)C","SLVMESMUVMCQIY-UHFFFAOYSA-N","4078",TRUE,"PDBC01016","186066","Present"
-"Mestranol","","","","","","","mestranol","","","","","","","","","","","","Ethynylestradiol 3-methyl ether","","","COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1","IMSSROKUHAOUJS-MJCUULBUSA-N","6291",TRUE,"PDBC01017","","Absent"
-"Metampicillin","","","","","","","metampicillin","","","","","","","","","","","","","","","CC1(C)SC2[C@H](NC(=O)C(N=C)c3ccccc3)C(=O)N2C1C(=O)O","FZECHKJQHUVANE-MCYUEQNJSA-N","6713928",NA,"PDBC01018","","Absent"
-"Metaproterenol","","","","","","","orciprenaline","","","","","","","","","","","","","","","CC(C)NCC(O)c1cc(O)cc(O)c1","LMOINURANNBYCM-UHFFFAOYSA-N","4086",NA,"PDBC01019","","Absent"
-"Metaraminol","","","","","","","metaraminol","","","","","","","","","","","","","","metaraminol","CC(N)C(O)c1cccc(O)c1","WXFIGDLSSYIKKV-RCOVLWMOSA-N","5906",TRUE,"PDBC01020","","Present"
-"Metergoline","","","","","","","metergoline","","","","","","","","","","","","Metergoline","Metergoline","","CN1CC(CNC(=O)OCc2ccccc2)C[C@@H]3C1Cc4cn(C)c5cccc3c45","WZHJKEUHNJHDLS-QTGUNEKASA-N","28693",NA,"PDBC01021","755878","Present"
-"Methacholine chloride","","","","","","","methacholine chloride","","","","","","","","","","","","","","","COC(=O)C(C)C[N+](C)(C)C","JHPHVAVFUYTVCL-UHFFFAOYSA-M","6114",TRUE,"PDBC01022","","Absent"
-"Methacycline","","","","","","","metacycline","","","","","","","","","","","","","","methacycline","CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N","MHIGBKBJSQVXNH-IWVLMIASSA-N","54675785",NA,"PDBC01023","","Present"
-"Methantheline bromide","","","","","","","methanthelinium bromide","","","","","","","","","","","","","","","CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc3ccccc13","PQMWYJDJHJQZDE-UHFFFAOYSA-M","5883",NA,"PDBC01024","","Absent"
-"Methazolamide","","","","","","","methazolamide","","","","","","","","","","","","","","","CC(=O)N=c1sc(nn1C)S(=O)(=O)N","FLOSMHQXBMRNHR-DAXSKMNVSA-N","4100",TRUE,"PDBC01025","","Absent"
-"Methimazole","","","","","","","thiamazole","","","","","","","","","","","","","","","Cn1ccnc1S","PMRYVIKBURPHAH-UHFFFAOYSA-N","1349907",NA,"PDBC01026","","Absent"
-"Methocarbamol","","","","","","","methocarbamol","","","","","","","","","","","","","","methocarbamol","COc1ccccc1OCC(O)COC(=O)N","GNXFOGHNGIVQEH-UHFFFAOYSA-N","4107",TRUE,"PDBC01027","","Present"
-"Levomepromazine","","","","","","","levomepromazine","","","","","","","","","","","","","","","COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1","VRQVVMDWGGWHTJ-CQSZACIVSA-N","72287",TRUE,"PDBC01028","","Absent"
-"Methoxamine","","","","","","","methoxamine","","","","","","","","","","","","","","","CON","WJAJPNHVVFWKKL-UHFFFAOYSA-N","6082",TRUE,"PDBC01029","","Absent"
-"Methoxsalen","","","","","","","methoxsalen","","","","","","","","","","","","","Methoxsalen","","COc1c2occc2cc3ccc(=O)oc13","QXKHYNVANLEOEG-UHFFFAOYSA-N","4114",TRUE,"PDBC01030","45923","Present"
-"Methyldopa","","","","","","","methyldopa","","","","","","","","","","","","","","methyldopa","C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O","CJCSPKMFHVPWAR-JTQLQIEISA-N","38853",TRUE,"PDBC01031","","Present"
-"Methylergonovine","","","","","","","methylergometrine","","","","","","","","","","","","","","","CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34","UNBRKDKAWYKMIV-QWQRMKEZSA-N","8226",NA,"PDBC01032","","Absent"
-"Methylprednisolone","","","","","","","methylprednisolone","","","","","","","","","","","","","Methylprednisolone","methylprednisolone","C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)C2[C@@]4(C)C=CC(=O)C=C14","VHRSUDSXCMQTMA-PJHHCJLFSA-N","6741",TRUE,"PDBC01033","19987","Present"
-"Metoclopramide","","","","","","","metoclopramide","","","","","","","","","","","","","","","CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","TTWJBBZEZQICBI-UHFFFAOYSA-N","4168",TRUE,"PDBC01034","","Absent"
-"Metolazone","","","","","","","metolazone","","","","","","","","","","","","","","","CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N","AQCHWTWZEMGIFD-UHFFFAOYSA-N","4170",TRUE,"PDBC01035","","Absent"
-"Metoprolol","","","","","","","metoprolol","","","","","","","","","","","","","","metoprolol","COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1","IUBSYMUCCVWXPE-UHFFFAOYSA-N","4171",TRUE,"PDBC01036","","Present"
-"Metrizamide","","","","","","","metrizamide","","","","","","","","","","","","","","","CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1I","BAQCROVBDNBEEB-UBYUBLNFSA-N","443944",TRUE,"PDBC01037","","Absent"
-"Metronidazole","","","","","","","metronidazole","","","","","","","","","","","","","","metronidazole","Cc1ncc([N+](=O)[O-])n1CCO","VAOCPAMSLUNLGC-UHFFFAOYSA-N","4173",TRUE,"PDBC01038","","Present"
-"Metyrapone","","","","","","","metyrapone","","","","","","","","","","","","","","metyrapone","CC(C)(C(=O)c1cccnc1)c2cccnc2","FJLBFSROUSIWMA-UHFFFAOYSA-N","4174",TRUE,"PDBC01039","","Present"
-"Mexiletine","","","","","","","mexiletine","","","","","","","","","","","","","","mexiletine","CC(N)COc1c(C)cccc1C","VLPIATFUUWWMKC-UHFFFAOYSA-N","4178",TRUE,"PDBC01040","","Present"
-"Mianserin","","","","","","","mianserin","","","","","","","","","","","","","","","CN1CCN2C(C1)c3ccccc3Cc4ccccc24","UEQUQVLFIPOEMF-UHFFFAOYSA-N","4184",NA,"PDBC01041","","Absent"
-"Midecamycin","","","","","","","midecamycin","","","","","","","","","","","","","","","CCC(=O)O[C@H]1C(C)O[C@](C)(C[C@]1(C)O)O[C@@H]2C(C)O[C@@H](CO[C@@H]3[C@@H](C)[C@@H](CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@@H]3CC(=O)C)OC(=O)CC)[C@H](O)[C@@H]2N(C)C","DMUAPQTXSSNEDD-KTNMPIKDSA-N","5382853",NA,"PDBC01042","","Absent"
-"Midodrine","","","","","","","midodrine","","","","","","","","","","","","","","midodrine","COc1ccc(OC)c(c1)C(O)CNC(=O)CN","PTKSEFOSCHHMPD-UHFFFAOYSA-N","4195",TRUE,"PDBC01043","","Present"
-"Mifepristone","","","","","","","mifepristone","","","","","","","","","","","","","Mifepristone","mifepristone","CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC21C)c5ccc(cc5)N(C)C","VKHAHZOOUSRJNA-GCNJZUOMSA-N","55245",TRUE,"PDBC01044","652104","Present"
-"Milrinone","","","","","","","milrinone","","","","","","","","","","","","","","","Cc1[nH]c(=O)c(C#N)cc1c2ccncc2","PZRHRDRVRGEVNW-UHFFFAOYSA-N","4197",TRUE,"PDBC01045","","Absent"
-"Minaprine","","","","","","","minaprine","","","","","","","","","","","","","","","Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3","LDMWSLGGVTVJPG-UHFFFAOYSA-N","4199",NA,"PDBC01046","","Absent"
-"Minocycline","","","","","","","minocycline","","","","","","","","","","","","","NSC757120","minocycline","CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C","FFTVPQUHLQBXQZ-KVUCHLLUSA-N","54675783",TRUE,"PDBC01047","757120","Present"
-"Mitoxantrone","","","","","","","mitoxantrone","","","","","","","","Mitoxantrone","","","","Mitoxantrone dihydrochloride","MITOXANTRONE///Mitoxantrone","mitoxantrone","OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12","KKZJGLLVHKMTCM-UHFFFAOYSA-N","4212",TRUE,"PDBC01048","279836///301739","Present"
-"Molindone","","","","","","","molindone","","","","","","","","","","","","","","","CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12","KLPWJLBORRMFGK-UHFFFAOYSA-N","23897",TRUE,"PDBC01049","","Absent"
-"Molsidomine","","","","","","","molsidomine","","","","","","","","","","","","","","","CCOC(=O)Nc1c[n+](no1)N2CCOCC2","XLFWDASMENKTKL-UHFFFAOYSA-N","4238",NA,"PDBC01050","","Absent"
-"Mometasone","","","","","","","mometasone","","","","","","","","","","","","Mometasone furoate","","","C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c5ccco5)C(=O)CCl","QLIIKPVHVRXHRI-CXSFZGCWSA-N","441335",TRUE,"PDBC01051","","Absent"
-"Monobenzone","","","","","","","monobenzone","","","","","","","","","","","","","","monobenzone","Oc1ccc(OCc2ccccc2)cc1","VYQNWZOUAUKGHI-UHFFFAOYSA-N","7638",TRUE,"PDBC01052","","Present"
-"Morantel","","","","","","","morantel","","","","","","","","","","","","","","","CN1CCCN=C1/C=C/c2sccc2C","NVEPPWDVLBMNMB-SNAWJCMRSA-N","5353792",NA,"PDBC01053","","Absent"
-"Moricizine","","","","","","","moracizine","","","","","","","","","","","","","","","CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1","FUBVWMNBEHXPSU-UHFFFAOYSA-N","34633",NA,"PDBC01054","","Absent"
-"Latamoxef","","","","","","","latamoxef","","","","","","","","","","","","","","","CO[C@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C","JWCSIUVGFCSJCK-CAVRMKNVSA-N","47499",NA,"PDBC01055","","Absent"
-"Moxisylyte","","","","","","","moxisylyte","","","","","","","","","","","","","","","CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C","VRYMTAVOXVTQEF-UHFFFAOYSA-N","4260",NA,"PDBC01056","","Absent"
-"Moxonidine","","","","","","","moxonidine","","","","","","","","","","","","","","","COc1nc(C)nc(Cl)c1NC2=NCCN2","WPNJAUFVNXKLIM-UHFFFAOYSA-N","4810",NA,"PDBC01057","","Absent"
-"Mycophenolic acid","","","","","","","mycophenolic acid","","","","","","","","","","","","","melbex","mycophenolic-acid","COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O","HPNSFSBZBAHARI-RUDMXATFSA-N","446541",TRUE,"PDBC01058","129185///757424","Present"
-"Nabumetone","","","","","","","nabumetone","","","","","","","","","","","","","","","COc1ccc2cc(CCC(=O)C)ccc2c1","BLXXJMDCKKHMKV-UHFFFAOYSA-N","4409",TRUE,"PDBC01059","","Absent"
-"Nadolol","","","","","","","nadolol","","","","","","","","","","","","","","","CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12","VWPOSFSPZNDTMJ-UCWKZMIHSA-N","39147",TRUE,"PDBC01060","","Absent"
-"Nafcillin","","","","","","","nafcillin","","","","","","","","","","","","","","nafcillin","CCOc1ccc2ccccc2c1NC(=O)[C@H]3[C@H]4SC(C)(C)C(N4C3=O)C(=O)O","GPXLMGHLHQJAGZ-JTDSTZFVSA-N","8982",TRUE,"PDBC01061","","Present"
-"Naftifine","","","","","","","naftifine","","","","","","","","","","","","","","naftifine","CN(C/C=C/c1ccccc1)Cc2cccc3ccccc23","OZGNYLLQHRPOBR-DHZHZOJOSA-N","47641",TRUE,"PDBC01062","","Present"
-"Naftopidil","","","","","","","naftopidil","","","","","","","","","","","","","","","COc1ccccc1N2CCN(CC(O)COc3cccc4ccccc34)CC2","HRRBJVNMSRJFHQ-UHFFFAOYSA-N","4418",NA,"PDBC01063","","Absent"
-"Nalbuphine","","","","","","","nalbuphine","","","","","","","","","","","","","","","O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c54","NETZHAKZCGBWSS-CEDHKZHLSA-N","5311304",TRUE,"PDBC01064","","Absent"
-"Nalidixic acid","","","","","","","nalidixic acid","","","","","","","","","","","","","Nalidixic Acid","","CCn1cc(C(=O)O)c(=O)c2ccc(C)nc12","MHWLWQUZZRMNGJ-UHFFFAOYSA-N","4421",TRUE,"PDBC01065","82174","Present"
-"Naloxone","","","","","","","naloxone","","","","","","","","","","","","","","naloxone","Oc1ccc2C[C@H]3N(CC=C)CC[C@]4([C@H]5Oc1c24)[C@@]3(O)CCC5=O","UZHSEJADLWPNLE-GRGSLBFTSA-N","5284596",TRUE,"PDBC01066","","Present"
-"Naltrexone","","","","","","","naltrexone","","","","","","","","","","","","","","naltrexone","Oc1ccc2C[C@H]3N(CC4CC4)CCC5([C@H]6Oc1c25)[C@@]3(O)CCC6=O","DQCKKXVULJGBQN-XFWGSAIBSA-N","5360515",TRUE,"PDBC01067","","Present"
-"Naphazoline","","","","","","","naphazoline","","","","","","","","","","","","","","","C(C1=NCCN1)c2cccc3ccccc23","CNIIGCLFLJGOGP-UHFFFAOYSA-N","4436",TRUE,"PDBC01068","","Absent"
-"Naproxen","","","","","","","naproxen","","","","","","","","","","","","","","naproxen","COc1ccc2cc(ccc2c1)[C@H](C)C(=O)O","CMWTZPSULFXXJA-VIFPVBQESA-N","156391",TRUE,"PDBC01069","","Present"
-"Natamycin","","","","","","","natamycin","","","","","","","","","","","","","","","CC1O[C@@](C)(OC2C[C@H]3O[C@](O)(C[C@@H](O)[C@@H]3C(=O)O)C[C@H](O)C[C@@H]4O[C@H]4C=CC(=O)O[C@H](C)CC=CC=CC=CC=C2)[C@@H](O)[C@H](N)[C@@H]1O","NCXMLFZGDNKEPB-FFPOYIOWSA-N","5284447",TRUE,"PDBC01070","","Absent"
-"Nefopam","","","","","","","nefopam","","","","","","","","","","","","","","","CN1CCOC(c2ccccc2)c3ccccc3C1","RGPDEAGGEXEMMM-UHFFFAOYSA-N","4450",NA,"PDBC01071","","Absent"
-"Neomycin","","","","","","","neomycin","","","","","","","","","","","","","","","NC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@@H]4O[C@H](CN)[C@@H](O)[C@@H](O)[C@H]4N)O[C@@H]2CO)[C@@H](N)[C@H](O)[C@@H]1O","PGBHMTALBVVCIT-VCIWKGPPSA-N","8378",TRUE,"PDBC01072","","Absent"
-"Netilmicin","","","","","","","netilmicin","","","","","","","","","","","","","","","CCNC1CC(N)C(OC2OC(=CCC2N)CN)C(O)C1OC3OCC(C)(O)C(NC)C3O","CIDUJQMULVCIBT-MQDUPKMGSA-N","441306",TRUE,"PDBC01073","","Absent"
-"Nicotinic acid","","","","","","","nicotinic acid","","","","","","","","","","","","","nicotinic acid","niacin","OC(=O)c1cccnc1","PVNIIMVLHYAWGP-UHFFFAOYSA-N","938",NA,"PDBC01074","15010","Present"
-"Nicardipine","","","","","","","nicardipine","","","","","","","","","","","","","","","COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C","ZBBHBTPTTSWHBA-UHFFFAOYSA-N","4474",TRUE,"PDBC01075","","Absent"
-"Nicergoline","","","","","","","nicergoline","","","","","","","","","","","","","","","CO[C@@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]2Cc4cn(C)c5cccc1c45","YSEXMKHXIOCEJA-FVFQAYNVSA-N","34040",NA,"PDBC01076","","Absent"
-"Niclosamide","","","","","","","niclosamide","niclosamide","","","","","","","","","","","Niclosamide","niclosamide (usan)///mato","niclosamide","Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]","RJMUSRYZPJIFPJ-UHFFFAOYSA-N","4477",TRUE,"PDBC01077","758440///178296","Present"
-"Nifenazone","","","","","","","nifenazone","","","","","","","","","","","","","","","Cc1c(NC(=O)c2cccnc2)c(=O)n(c3ccccc3)n1C","BRZANEXCSZCZCI-UHFFFAOYSA-N","4487",NA,"PDBC01078","","Absent"
-"Nifuroxazide","","","","","","","nifuroxazide","","","","","","","","","","","","","Nifuroxazide","","Oc1ccc(cc1)C(=O)N/N=C/c2ccc(o2)[N+](=O)[O-]","YCWSUKQGVSGXJO-NTUHNPAUSA-N","5337997",NA,"PDBC01079","759261","Present"
-"Nilutamide","","","","","","","nilutamide","","","","","","","","","","","","","","nilutamide","CC1(C)NC(=O)N(C1=O)c2ccc([N+](=O)[O-])c(c2)C(F)(F)F","XWXYUMMDTVBTOU-UHFFFAOYSA-N","4493",TRUE,"PDBC01080","","Present"
-"Nimesulide","","","","","","","nimesulide","","","","","","","","","","","","","","","CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]","HYWYRSMBCFDLJT-UHFFFAOYSA-N","4495",NA,"PDBC01081","","Absent"
-"Nitrofurantoin","","","","","","","nitrofurantoin","","","","","","","","","","","","","","","[O-][N+](=O)c1ccc(C=NN2CC(=O)NC2=O)o1","NXFQHRVNIOXGAQ-YCRREMRBSA-N","6604200",TRUE,"PDBC01082","","Absent"
-"Nitrofurazone","","","","","","","nitrofural","","","","","","","","","","","","","","","NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-]","IAIWVQXQOWNYOU-FPYGCLRLSA-N","5447130",NA,"PDBC01083","","Absent"
-"Nizatidine","","","","","","","nizatidine","","","","","","","","","","","","","","nizatidine","CN/C(=C/[N+](=O)[O-])/NCCSCc1csc(CN(C)C)n1","SGXXNSQHWDMGGP-IZZDOVSWSA-N","3033637",TRUE,"PDBC01084","","Present"
-"Nomifensine","","","","","","","nomifensine","","","","","","","","","","","","","","","CN1CC(c2ccccc2)c3cccc(N)c3C1","XXPANQJNYNUNES-UHFFFAOYSA-N","4528",NA,"PDBC01085","","Absent"
-"Norethindrone","","","","","","","norethisterone","","","","","","","","","","","","","","norethindrone///norethindrone-acetate","CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34","VIKNJXKGJWUCNN-XGXHKTLJSA-N","6230",NA,"PDBC01086","","Present"
-"Norethynodrel","","","","","","","noretynodrel","","","","","","","","","","","","","","noretynodrel","C[C@@]12CCC3C(CCC4=C3CCC(=O)C4)C2CC[C@@]1(O)C#C","ICTXHFFSOAJUMG-SLHNCBLASA-N","6231",NA,"PDBC01087","","Present"
-"Norfloxacin","","","","","","","norfloxacin","","","","","","","","","","","","","","norfloxacin","CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCNCC3","OGJPXUAPXNRGGI-UHFFFAOYSA-N","4539",TRUE,"PDBC01088","","Present"
-"Levonorgestrel","","","","","","","levonorgestrel","","","","","","","","","","","","","","levonorgestrel///norgestrel","CC[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]2CC[C@@]1(O)C#C","WWYNJERNGUHSAO-XUDSTZEESA-N","13109",TRUE,"PDBC01089","","Present"
-"Nortriptyline","","","","","","","nortriptyline","","","","","","","","","","","","Nortriptyline hydrochloride","","","CNCCC=C1c2ccccc2CCc3ccccc13","PHVGLTMQBUFIQQ-UHFFFAOYSA-N","4543",TRUE,"PDBC01090","","Absent"
-"Noscapine","","","","","","","noscapine","","","","","","","","","","","","","Noscapine","","COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34","AKNNEGZIBPJZJG-MSOLQXFVSA-N","275196",NA,"PDBC01091","5366","Present"
-"Nilstat","","","","","","","nystatin","","","","","","","","","","","","","","","C[C@H]1OC(OC2CC3O[C@@](O)(CC(O)C3C(=O)O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CCCC=CC=CC=CC=C2)[C@@H](O)[C@@H](N)[C@@H]1O","VQOXZBDYSJBXMA-NQTDYLQESA-N","11286230",TRUE,"PDBC01092","","Absent"
-"Ofloxacin","","","","","","","ofloxacin","","","","","","","","","","","","","Ofloxacin","","CC1COc2c(N3CCN(C)CC3)c(F)cc4c(=O)c(cn1c24)C(=O)O","GSDSWSVVBLHKDQ-UHFFFAOYSA-N","3288597",TRUE,"PDBC01093","727071","Present"
-"Matromycin","","","","","","","oleandomycin","","","","","","","","","","","","","","","CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O","RZPAKFUAFGMUPI-QESOVKLGSA-N","72493",NA,"PDBC01094","","Absent"
-"Omeprazole","","","","","","","omeprazole","","","","","","","","","","","","","","omeprazole","COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C","SUBDBMMJDZJVOS-UHFFFAOYSA-N","4594",TRUE,"PDBC01095","","Present"
-"Ondansetron","","","","","","","ondansetron","","","","","","","","","","","","","","","Cc1nccn1C[C@@H]2CCc3c(C2=O)c4ccccc4n3C","FELGMEQIXOGIFQ-UHFFFAOYSA-N","4595",TRUE,"PDBC01096","","Absent"
-"Orlistat","","","","","","","orlistat","","","","","","","Orlistat","","","","","","","","CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O","AHLBNYSZXLDEJQ-FWEHEUNISA-N","3034010",TRUE,"PDBC01097","","Absent"
-"Ornidazole","","","","","","","ornidazole","","","","","","","","","","","","","","","Cc1ncc([N+](=O)[O-])n1CC(O)CCl","IPWKIXLWTCNBKN-UHFFFAOYSA-N","28061",NA,"PDBC01098","","Absent"
-"Orphenadrine","","","","","","","orphenadrine","","","","","","","","","","","","","","","CN(C)CCOC(c1ccccc1)c2ccccc2C","QVYRGXJJSLMXQH-UHFFFAOYSA-N","4601",TRUE,"PDBC01099","","Absent"
-"Oxamniquine","","","","","","","oxamniquine","","","","","","","","","","","","","","","CC(C)NCC1CCc2cc(CO)c(cc2N1)[N+](=O)[O-]","XCGYUJZMCCFSRP-UHFFFAOYSA-N","4612",TRUE,"PDBC01100","","Absent"
-"Oxaprozin","","","","","","","oxaprozin","","","","","","","","","","","","","Oxaprozin","","OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3","OFPXSFXSNFPTHF-UHFFFAOYSA-N","4614",TRUE,"PDBC01101","310839","Present"
-"Synephrine","","","","","","","oxedrine","","","","","","","","","","","","","","","CNCC(O)c1ccc(O)cc1","YRCWQPVGYLYSOX-UHFFFAOYSA-N","7172",NA,"PDBC01102","","Absent"
-"Oxolamine","","","","","","","oxolamine","","","","","","","","","","","","","","","CCN(CC)CCc1nc(no1)c2ccccc2","IDCHQQSVJAAUQQ-UHFFFAOYSA-N","13738",NA,"PDBC01103","","Absent"
-"Oxprenolol","","","","","","","oxprenolol","","","","","","","","","","","","","","oxprenolol","CC(C)NCC(O)COc1ccccc1OCC=C","CEMAWMOMDPGJMB-UHFFFAOYSA-N","4631",TRUE,"PDBC01104","","Present"
-"Oxybenzone","","","","","","","oxybenzone","","","","","","","","","","","","","anuvex","","COc1ccc(C(=O)c2ccccc2)c(O)c1","DXGLGDHPHMLXJC-UHFFFAOYSA-N","4632",TRUE,"PDBC01105","7778","Present"
-"Oxybutynin","","","","","","","oxybutynin","","","","","","","","","","","","","","","CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c2ccccc2","XIQVNETUBQGFHX-UHFFFAOYSA-N","4634",TRUE,"PDBC01106","","Absent"
-"Oxymetazoline","","","","","","","oxymetazoline","","","","","","","","","","","","","","oxymetazoline","Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C","WYWIFABBXFUGLM-UHFFFAOYSA-N","4636",TRUE,"PDBC01107","","Present"
-"Oxyphenbutazone","","","","","","","oxyphenbutazone","","","","","","","","","","","","","","","CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3","CNDQSXOVEQXJOE-UHFFFAOYSA-N","104811",TRUE,"PDBC01108","","Absent"
-"Oxytetracycline","","","","","","","oxytetracycline","","","","","","","","","","","","","","","CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O","IWVCMVBTMGNXQD-PXOLEDIWSA-N","54675779",TRUE,"PDBC01109","","Absent"
-"Pancuronium bromide","","","","","","","pancuronium bromide","","","","","","","","","","","","","","","CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6","NPIJXCQZLFKBMV-YTGGZNJNSA-L","27350",TRUE,"PDBC01110","","Absent"
-"Papaverine","","","","","","","papaverine","","","","","","","","","","","","","Papaverine Hydrochloride","papaverine","COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC","XQYZDYMELSJDRZ-UHFFFAOYSA-N","4680",NA,"PDBC01111","35443","Present"
-"Pargyline","","","","","","","pargyline","","","","","","","","","","","","","","","CN(CC#C)Cc1ccccc1","DPWPWRLQFGFJFI-UHFFFAOYSA-N","4688",TRUE,"PDBC01112","","Absent"
-"Paromomycin","","","","","","","paromomycin","","","","","","","","","","","","","","","NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O","UOZODPSAJZTQNH-LSWIJEOBSA-N","165580",TRUE,"PDBC01113","","Absent"
-"Paroxetine","","","","","","","paroxetine","","","","","","","","","","","","","","","Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3","AHOUBRCZNHFOSL-YOEHRIQHSA-N","43815",TRUE,"PDBC01114","","Absent"
-"Penbutolol","","","","","","","penbutolol","","","","","","","","","","","","","","","CC(C)(C)NC[C@H](O)COc1ccccc1C2CCCC2","KQXKVJAGOJTNJS-HNNXBMFYSA-N","37464",TRUE,"PDBC01115","","Absent"
-"Penicillin g","","","","","","","benzylpenicillin","","","","","","","","","","","","","","","CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O","JGSARLDLIJGVTE-MBNYWOFBSA-N","5904",NA,"PDBC01116","","Absent"
-"benzathine benzylpenicillin","","","","","","","benzathine benzylpenicillin","","","","","","","","","","","","","","","CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O.C(CNCc1ccccc1)NCc2ccccc2","BVGLIYRKPOITBQ-ANPZCEIESA-N","15232",NA,"PDBC01117","","Absent"
-"Pentoxifylline","","","","","","","pentoxifylline","","","","","","","","","","","","","","","CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","BYPFEZZEUUWMEJ-UHFFFAOYSA-N","4740",TRUE,"PDBC01118","","Absent"
-"Pergolide","","","","","","","pergolide","","","","","","","","","","","","","","","CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34","YEHCICAEULNIGD-MZMPZRCHSA-N","47811",TRUE,"PDBC01119","","Absent"
-"Perhexiline","","","","","","","perhexiline","","","","","","","","","","","","Perhexiline maleate","","","C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3","CYXKNKQEMFBLER-UHFFFAOYSA-N","4746",NA,"PDBC01120","","Absent"
-"Perphenazine","","","","","","","perphenazine","","","","","","","","","","","","Perphenazine","PERPHENAZINE","","OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1","RGCVKNLCSQQDEP-UHFFFAOYSA-N","4748",TRUE,"PDBC01121","758649","Present"
-"Phenazopyridine","","","","","","","phenazopyridine","","","","","","","","","","","","","","","Nc1ccc(N=Nc2ccccc2)c(N)n1","QPFYXYFORQJZEC-FOCLMDBBSA-N","4756",TRUE,"PDBC01122","","Absent"
-"Phenindione","","","","","","","phenindione","","","","","","","","","","","","","","","O=C1C(C(=O)c2ccccc12)c3ccccc3","NFBAXHOPROOJAW-UHFFFAOYSA-N","4760",TRUE,"PDBC01123","","Absent"
-"Pheniramine","","","","","","","pheniramine","","","","","","","","","","","","","","pheniramine","CN(C)CCC(c1ccccc1)c2ccccn2","IJHNSHDBIRRJRN-UHFFFAOYSA-N","4761",TRUE,"PDBC01124","","Present"
-"Phenoxybenzamine","","","","","","","phenoxybenzamine","","","","","","","","","","","","","","","CC(COc1ccccc1)N(CCCl)Cc2ccccc2","QZVCTJOXCFMACW-UHFFFAOYSA-N","4768",TRUE,"PDBC01125","","Absent"
-"Phensuximide","","","","","","","phensuximide","","","","","","","","","","","","","","","CN1C(=O)CC(C1=O)c2ccccc2","WLWFNJKHKGIJNW-UHFFFAOYSA-N","6839",TRUE,"PDBC01126","","Absent"
-"Phentolamine","","","","","","","phentolamine","","","","","","","","","","","","","","","CC1=CC=C(CC1)N(CC2=NCCN2)c3cccc(O)c3","MRBDMNSDAVCSSF-UHFFFAOYSA-N","4920903",TRUE,"PDBC01127","","Absent"
-"Norephedrine","","","","","","","phenylpropanolamine","","","","","","","","","","","","","","","CC(N)C(O)c1ccccc1","DLNKOYKMWOXYQA-VXNVDRBHSA-N","26934",TRUE,"PDBC01128","","Absent"
-"Picotamide","","","","","","","picotamide","","","","","","","","","","","","","","","COc1ccc(cc1C(=O)NCc2cccnc2)C(=O)NCc3cccnc3","KYWCWBXGRWWINE-UHFFFAOYSA-N","4814",NA,"PDBC01129","","Absent"
-"Pilocarpine","","","","","","","pilocarpine","","","","","","","","","","","","","epicar","pilocarpine","CCC1C(COC1=O)CC2=CN=CN2C","QCHFTSOMWOSFHM-WPRPVWTQSA-N","5910",TRUE,"PDBC01130","5746","Present"
-"Pimozide","","","","","","","pimozide","","","","","","","","","","","","Pimozide","Pimozide","","Fc1ccc(cc1)C(CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34)c5ccc(F)cc5Cl","YVUQSNJEYSNKRX-UHFFFAOYSA-N","16362",TRUE,"PDBC01131","757854///170984","Present"
-"Pindolol","","","","","","","pindolol","","","","","","","","","","","","","","pindolol","CC(C)NCC(O)COc1cccc2[nH]ccc12","JZQKKSLKJUAGIC-UHFFFAOYSA-N","4828",TRUE,"PDBC01132","","Present"
-"Pioglitazone","","","","","","","pioglitazone","","","","","","","","","","","","","","","CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1","HYAFETHFCAUJAY-UHFFFAOYSA-N","4829",TRUE,"PDBC01133","","Absent"
-"Piperacetazine","","","","","","","piperacetazine","","","","","","","","","","","","","","piperacetazine","CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1","BTFMCMVEUCGQDX-UHFFFAOYSA-N","19675",TRUE,"PDBC01134","","Present"
-"Piperacillin","","","","","","","piperacillin","","","","","","","","","","","","","","","CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O","IVBHGBMCVLDMKU-GXNBUGAJSA-N","43672",TRUE,"PDBC01135","","Absent"
-"Piracetam","","","","","","","piracetam","","","","","","","","","","","","","","","NC(=O)CN1CCCC1=O","GMZVRMREEHBGGF-UHFFFAOYSA-N","4843",NA,"PDBC01136","","Absent"
-"Pirenzepine","","","","","","","pirenzepine","","","","","","","","","","","","","","","CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1","RMHMFHUVIITRHF-UHFFFAOYSA-N","4848",NA,"PDBC01137","","Absent"
-"Piroxicam","","","","","","","piroxicam","","","","","","","","","","","","","Piroxicam","piroxicam","CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3","QYSPLQLAKJAUJT-UHFFFAOYSA-N","54676228",TRUE,"PDBC01138","666076","Present"
-"Podofilox","","","","","","","podophyllotoxin","","","","","","","","","","","","","podofilox (usan)///podophyllotoxin","podophyllotoxin","COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](O)c4cc5OCOc5cc24","YJGVMLPVUAXIQN-XVVDYKMHSA-N","10607",NA,"PDBC01139","759591///24818","Present"
-"Pralidoxime","","","","","","","pralidoxime","","","","","","","","","","","","","","","C[n+]1ccccc1C=NO","JBKPUQTUERUYQE-VOTSOKGWSA-O","5353894",TRUE,"PDBC01140","","Absent"
-"Pramocaine","","","","","","","pramocaine","","","","","","","","","","","","","","","CCCCOc1ccc(OCCCN2CCOCC2)cc1","DQKXQSGTHWVTAD-UHFFFAOYSA-N","4886",NA,"PDBC01141","","Absent"
-"Praziquantel","","","","","","","praziquantel","","","","","","","","","","","","","","","O=C(C1CCCCC1)N2C[C@@H]3N(CCc4ccccc34)C(=O)C2","FSVJFNAIGNNGKK-UHFFFAOYSA-N","4891",TRUE,"PDBC01142","","Absent"
-"Prazosin","","","","","","","prazosin","","","","","","","","","","","","","Prazosin Hydrochloride","prazosin","COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC","IENZQIKPVFGBNW-UHFFFAOYSA-N","4893",TRUE,"PDBC01143","292810","Present"
-"Prednisone","","","","","","","prednisone","","","","","","","","","","","","","Prednisone","","C[C@@]12CC(=O)C3C(CCC4=CC(=O)C=C[C@]34C)C2CC[C@]1(O)C(=O)CO","XOFYZVNMUHMLCC-ZPOLXVRWSA-N","5865",TRUE,"PDBC01144","10023","Present"
-"Pridinol","","","","","","","pridinol","","","","","","","","","","","","","parks","","OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3","RQXCLMGKHJWMOA-UHFFFAOYSA-N","4904",NA,"PDBC01145","23016","Present"
-"Prilocaine","","","","","","","prilocaine","","","","","","","","","","","","","","","CCCNC(C)C(=O)Nc1ccccc1C","MVFGUOIZUNYYSO-UHFFFAOYSA-N","4906",TRUE,"PDBC01146","","Absent"
-"Primaquine","","","","","","","primaquine","","","","","","","","","","","","Primaquine diphosphate","","primaquine","COc1cc(NC(C)CCCN)c2ncccc2c1","INDBQLZJXZLFIT-UHFFFAOYSA-N","4908",TRUE,"PDBC01147","","Present"
-"Primidone","","","","","","","primidone","","","","","","","","","","","","","","","CCC1(C(=O)NCNC1=O)c2ccccc2","DQMZLTXERSFNPB-UHFFFAOYSA-N","4909",TRUE,"PDBC01148","","Absent"
-"Probenecid","","","","","","","probenecid","","","","","","","","","","","","","","","CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O","DBABZHXKTCFAPX-UHFFFAOYSA-N","4911",TRUE,"PDBC01149","","Absent"
-"Procainamide","","","","","","","procainamide","","","","","","","","","","","","","","","CCN(CC)CCNC(=O)c1ccc(N)cc1","REQCZEXYDRLIBE-UHFFFAOYSA-N","4913",TRUE,"PDBC01150","","Absent"
-"Procaine","","","","","","","procaine","","","","","","","","","","","","","","","CCN(CC)CCOC(=O)c1ccc(N)cc1","MFDFERRIHVXMIY-UHFFFAOYSA-N","4914",TRUE,"PDBC01151","","Absent"
-"Procarbazine","","","","","","","procarbazine","procarbazine","","","","","","","","","","","","Procarbazine","","CNNCc1ccc(cc1)C(=O)NC(C)C","CPTBDICYNRMXFX-UHFFFAOYSA-N","4915",TRUE,"PDBC01152","77213","Present"
-"Procyclidine","","","","","","","procyclidine","","","","","","","","","","","","","","","OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3","WYDUSKDSKCASEF-UHFFFAOYSA-N","4919",TRUE,"PDBC01153","","Absent"
-"Progesterone","","","","","","","progesterone","","","","","","","","","","","","","lutex","","CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C","RJKFOVLPORLFTN-LEKSSAKUSA-N","5994",TRUE,"PDBC01154","9704","Present"
-"Proglumide","","","","","","","proglumide","","","","","","","","","","","","","","","CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1","DGMKFQYCZXERLX-UHFFFAOYSA-N","4922",NA,"PDBC01155","","Absent"
-"Promethazine","","","","","","","promethazine","","","","","","","","","","","","","","","CC(CN1c2ccccc2Sc3ccccc13)N(C)C","PWWVAXIEGOYWEE-UHFFFAOYSA-N","4927",TRUE,"PDBC01156","","Absent"
-"Propafenone","","","","","","","propafenone","","","","","","","","","","","","","","","CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2","JWHAUXFOSRPERK-UHFFFAOYSA-N","4932",TRUE,"PDBC01157","","Absent"
-"Propantheline bromide","","","","","","","propantheline bromide","","","","","","","","","","","","Propantheline bromide","","","CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C","XLBIBBZXLMYSFF-UHFFFAOYSA-M","9279",TRUE,"PDBC01158","","Absent"
-"Proparacaine","","","","","","","proxymetacaine","","","","","","","","","","","","","","","CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC","BFUUJUGQJUTPAF-UHFFFAOYSA-N","22169",NA,"PDBC01159","","Absent"
-"Propofol","","","","","","","propofol","","","","","","","","","","","","Propofol","","","CC(C)c1cccc(C(C)C)c1O","OLBCVFGFOZPWHH-UHFFFAOYSA-N","4943",TRUE,"PDBC01160","","Absent"
-"Propoxycaine","","","","","","","propoxycaine","","","","","","","","","","","","","","propoxycaine","CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC","CAJIGINSTLKQMM-UHFFFAOYSA-N","6843",TRUE,"PDBC01161","","Present"
-"Propranolol","","","","","","","propranolol","","","","","","","","","","","","","","propranolol","CC(C)NCC(O)COc1cccc2ccccc12","AQHHHDLHHXJYJD-UHFFFAOYSA-N","4946",TRUE,"PDBC01162","","Present"
-"Propylthiouracil","","","","","","","propylthiouracil","","","","","","","","","","","","","","","CCCc1cc(=O)[nH]c(=S)[nH]1","KNAHARQHSZJURB-UHFFFAOYSA-N","657298",TRUE,"PDBC01163","","Absent"
-"Proscillaridin","","","","","","","proscillaridin","","","","","","","","","","","","","","","CC1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CCC3=C2)c6ccc(=O)oc6)C(O)[C@@H](O)[C@H]1O","MYEJFUXQJGHEQK-ALRJYLEOSA-N","5284613",NA,"PDBC01164","","Absent"
-"Alprostadil","","","","","","","alprostadil","","","","","","","","","","","","","","","CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O","GMVPRGQOIOIIMI-DWKJAMRDSA-N","5280723",TRUE,"PDBC01165","","Absent"
-"Protriptyline","","","","","","","protriptyline","","","","","","","","","","","","","","","CNCCCC1c2ccccc2C=Cc3ccccc13","BWPIARFWQZKAIA-UHFFFAOYSA-N","4976",TRUE,"PDBC01166","","Absent"
-"Proxyphylline","","","","","","","proxyphylline","","","","","","","","","","","","","","","CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12","KYHQZNGJUGFTGR-UHFFFAOYSA-N","4977",NA,"PDBC01167","","Absent"
-"Pyrantel","","","","","","","pyrantel","","","","","","","","","","","","","","","CN1CCCN=C1/C=C/c2cccs2","YSAUAVHXTIETRK-AATRIKPKSA-N","708857",NA,"PDBC01168","","Absent"
-"Pyrazinamide","","","","","","","pyrazinamide","","","","","","","","","","","","Pyrazinamide","","","NC(=O)c1cnccn1","IPEHBUMCGVEMRF-UHFFFAOYSA-N","1046",TRUE,"PDBC01169","","Absent"
-"Pyridoxine","","","","","","","pyridoxine","","","","","","","","","","","","","","","Cc1ncc(CO)c(CO)c1O","LXNHXLLTXMVWPM-UHFFFAOYSA-N","1054",TRUE,"PDBC01170","","Absent"
-"Pyrilamine","","","","","","","mepyramine","","","","","","","","","","","","","","","COc1ccc(CN(CCN(C)C)c2ccccn2)cc1","YECBIJXISLIIDS-UHFFFAOYSA-N","4992",NA,"PDBC01171","","Absent"
-"Pyrithyldione","","","","","","","pyrithyldione","","","","","","","","","","","","","","","CCC1(CC)C(=O)NC=CC1=O","NZASCBIBXNPDMH-UHFFFAOYSA-N","4994",NA,"PDBC01172","","Absent"
-"Quinacrine","","","","","","","mepacrine","","","","","","Quinacrine (Acrichine)","","","","","","Quinacrine dihydrochloride dihydrate","","","CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13","GPKJTRJOBQGKQK-UHFFFAOYSA-N","237",NA,"PDBC01173","","Absent"
-"Quinethazone","","","","","","","quinethazone","","","","","","","","","","","","","","quinethazone","CCC1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N","AGMMTXLNIQSRCG-UHFFFAOYSA-N","6307",TRUE,"PDBC01174","","Present"
-"Quinidine","","","","","","","quinidine","","","","","","","","","","","","","","quinidine","COc1ccc2nccc(C(O)[C@H]3CC4CC[C@@H]3CC4C=C)c2c1","LOUPRKONTZGTKE-LHHVKLHASA-N","441074",TRUE,"PDBC01175","","Present"
-"Racecadotril","","","","","","","racecadotril","","","","","","","","","","","","","","racecadotril","CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2","ODUOJXZPIYUATO-UHFFFAOYSA-N","107751",NA,"PDBC01176","","Present"
-"Ramipril","","","","","","","ramipril","","","","","","","","","","","","","","","CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](C[C@H]3CCC[C@H]32)C(=O)O","HDACQVRGBOVJII-JBDAPHQKSA-N","5362129",TRUE,"PDBC01177","","Absent"
-"Ranitidine","","","","","","","ranitidine","","","","","","","","","","","","","","ranitidine","CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(CN(C)C)o1","VMXUWOKSQNHOCA-UKTHLTGXSA-N","3001055",TRUE,"PDBC01178","","Present"
-"Remoxipride","","","","","","","remoxipride","","","","","","","","","","","","Remoxipride Hydrochloride","","remoxipride","CCN1CCC[C@H]1CNC(=O)c2c(OC)ccc(Br)c2OC","GUJRSXAPGDDABA-NSHDSACASA-N","54477",NA,"PDBC01179","","Present"
-"Repaglinide","","","","","","","repaglinide","","","","","","","","","","","","","","repaglinide","CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(=O)O","FAEKWTJYAYMJKF-QHCPKHFHSA-N","65981",TRUE,"PDBC01180","","Present"
-"Rescinnamine","","","","","","","rescinnamine","","","","","","","","","","","","","rozex","","CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)/C=C/c6cc(OC)c(OC)c(OC)c6","SZLZWPPUNLXJEA-QEGASFHISA-N","5280954",TRUE,"PDBC01181","15628","Present"
-"Reserpine","","","","","","","reserpine","","","","","","","","","","","","","r-e-s","","CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6","QEVHRUUCFGRFIF-MDEJGZGSSA-N","5770",TRUE,"PDBC01182","59272","Present"
-"Ribavirin","","","","Ribavirin","","","ribavirin","","","","","","","","","","","","M15","Ribavirin","ribavirin","NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O","IWUCXVSUMQZMFG-AFCXAGJDSA-N","37542",TRUE,"PDBC01183","163039","Present"
-"Riboflavin","","","","","","","riboflavin","","","","","","","","","","","","","","riboflavin","Cc1cc2nc3c(=O)[nH]c(=O)nc3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C","AUNGANRZJHBGPY-SCRDCRAPSA-N","493570",TRUE,"PDBC01184","","Present"
-"Rifabutin","","","","","","","rifabutin","","","","","","","","","","","","","","","CCC(C)N1CCC2(CC1)NC3=C4NC(=O)/C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)/C=C/O[C@@]5(C)Oc6c(C5=O)c(C3=N2)c(C4=O)c(O)c6C)/C","ATEBXHFBFRCZMA-VXTBVIBXSA-N","6323490",TRUE,"PDBC01185","","Absent"
-"Rifampicin","","","","","","","rifampicin","","","","","","","","","","","","","rifa","rifampin","CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c4c(O)c(C=NN5CCN(C)CC5)c(NC(=O)C(=CC=CC(C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(=O)C)[C@@H]1C)C)c(O)c4c(O)c3C","FZYOVNIOYYPUPY-AMSHPFMVSA-N","25141428",NA,"PDBC01186","113926","Present"
-"Rilmenidine","","","","","","","rilmenidine","","","","","","","","","","","","","Rilmenidine","","C1CC1C(NC2=NCCO2)C3CC3","CQXADFVORZEARL-UHFFFAOYSA-N","68712",NA,"PDBC01187","664312","Present"
-"Riluzole","","","","","","","riluzole","","","","","","","","","","","","","","riluzole","Nc1nc2ccc(OC(F)(F)F)cc2s1","FTALBRSUTCGOEG-UHFFFAOYSA-N","5070",TRUE,"PDBC01188","","Present"
-"Rimexolone","","","","","","","rimexolone","","","","","","","","","","","","","","rimexolone","CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C","QTTRZHGPGKRAFB-SNLFSWRFSA-N","49868107",TRUE,"PDBC01189","","Present"
-"Yutopar","","","","","","","ritodrine","","","","","","","","","","","","","","ritodrine","CC(CC(O)c1ccc(O)cc1)NCc2ccc(O)cc2","IOVGROKTTNBUGK-SJCJKPOMSA-N","33572",TRUE,"PDBC01190","","Present"
-"Rolipram","","","","","","","rolipram","","","","","","","","","","","","","","","COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3","HJORMJIFDVBMOB-UHFFFAOYSA-N","5092",NA,"PDBC01191","","Absent"
-"Rolitetracycline","","","","","","","rolitetracycline","","","","","","","","","","","","","","","CN(C)[C@H]1C2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O","IKQRPFTXKQQLJF-UKTGLLKZSA-N","54679406",NA,"PDBC01192","","Absent"
-"Rulide","","","","","","","roxithromycin","","","","","","","","","","","","","","","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O","RXZBMPWDPOLZGW-XMRMVWPWSA-N","6915744",NA,"PDBC01193","","Absent"
-"Santonin","","","","","","","santonin","","","","","","","","","","","","","semenen","","C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C","XJHDMGJURBVLLE-BOCCBSBMSA-N","221071",NA,"PDBC01194","4900","Present"
-"Saquinavir","","","","","","","saquinavir","","","","","","","","","","","","","","","CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4","QWAXKHKRTORLEM-UGJKXSETSA-N","441243",TRUE,"PDBC01195","","Absent"
-"Selegiline","","","","","","","selegiline","","","","","","","","","","","","","","","C[C@H](Cc1ccccc1)N(C)CC#C","MEZLKOACVSPNER-GFCCVEGCSA-N","26757",TRUE,"PDBC01196","","Absent"
-"Serotonin","","","","","","","serotonin","","","","","","","","","","","","","","","NCCc1c[nH]c2ccc(O)cc12","QZAYGJVTTNCVMB-UHFFFAOYSA-N","5202",NA,"PDBC01197","","Absent"
-"Sisomicin","","","","","","","sisomicin","","","","","","","","","","","","","","","CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CN)[C@@H]2O)OC[C@]1(C)O","URWAJWIAIPFPJE-YFMIWBNJSA-N","36119",NA,"PDBC01198","","Absent"
-"Sotalol","","","","","","","sotalol","","","","","","","","","","","","","","","CC(C)NC[C@H](O)c1ccc(NS(=O)(=O)C)cc1","ZBMZVLHSJCTVON-UHFFFAOYSA-N","5253",TRUE,"PDBC01199","","Absent"
-"Spectinomycin","","","","","","","spectinomycin","","","","","","","","","","","","Spectinomycin dihydrochloride","","","CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O","UNFWWIHTNXNPBV-WXKVUWSESA-N","15541",TRUE,"PDBC01200","","Absent"
-"Spiperone","","","","","","","spiperone","","","","","","","","","","","","","spiropitan","","Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4","DKGZKTPJOSAWFA-UHFFFAOYSA-N","5265",NA,"PDBC01201","170983","Present"
-"Rovamycin","","","","","","","spiramycin","","","","","","","","","","","","","","","CO[C@H]1[C@H](O)CC(=O)O[C@@H](C)CC=CC=C[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C","ACTOXUHEUCPTEW-BWHGAVFKSA-N","5284619",NA,"PDBC01202","","Absent"
-"Spironolactone","","","","","","","spironolactone","","","","","","","","","","","","","","spironolactone","CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]54CCC(=O)O5)[C@@H]13","LXMSZDCAJNLERA-ZHYRCANASA-N","5833",TRUE,"PDBC01203","","Present"
-"Streptomycin","","","","","","","streptomycin","","","","","","","","","","","","","","","CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1OC2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O","UCSJYZPVAKXKNQ-HZYVHMACSA-N","19649",TRUE,"PDBC01204","","Absent"
-"Streptozocin","","","","","","","streptozocin","","","","","","","","","","","","","STREPTOZOCIN","streptozotocin","CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O","ZSJLQEPLLKMAKR-GKHCUFPYSA-N","29327",TRUE,"PDBC01205","85998","Present"
-"Sulconazole","","","","","","","sulconazole","","","","","","","","","","","","","","sulconazole","Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1","AFNXATANNDIXLG-UHFFFAOYSA-N","5318",TRUE,"PDBC01206","","Present"
-"Sulfacetamide","","","","","","","sulfacetamide","","","","","","","","","","","","","","","CC(=O)NS(=O)(=O)c1ccc(N)cc1","SKIVFJLNDNKQPD-UHFFFAOYSA-N","5320",TRUE,"PDBC01207","","Absent"
-"Sulfachlorpyridazine","","","","","","","sulfachlorpyridazine","","","","","","","","","","","","","","","Nc1ccc(cc1)S(=O)(=O)Nc2cnnc(Cl)c2","XOXHILFPRYWFOD-UHFFFAOYSA-N","6634",NA,"PDBC01208","","Absent"
-"Sulfadiazine","","","","","","","sulfadiazine","","","","","","","","","","","","","","","Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2","SEEPANYCNGTZFQ-UHFFFAOYSA-N","5215",TRUE,"PDBC01209","","Absent"
-"Sulfadimethoxine","","","","","","","sulfadimethoxine","","","","","","","","","","","","","","","COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1","ZZORFUFYDOWNEF-UHFFFAOYSA-N","5323",NA,"PDBC01210","","Absent"
-"Sulfadoxine","","","","","","","sulfadoxine","","","","","","","","","","","","","","","COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC","PJSFRIWCGOHTNF-UHFFFAOYSA-N","17134",TRUE,"PDBC01211","","Absent"
-"Sulfaguanidine","","","","","","","sulfaguanidine","","","","","","","","","","","","","","","NC(=N)NS(=O)(=O)c1ccc(N)cc1","BRBKOPJOKNSWSG-UHFFFAOYSA-N","5324",NA,"PDBC01212","","Absent"
-"Sulfamerazine","","","","","","","sulfamerazine","","","","","","","","","","","","","","","Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","QPPBRPIAZZHUNT-UHFFFAOYSA-N","5325",TRUE,"PDBC01213","","Absent"
-"Sulfamethazine","","","","","","","sulfadimidine","","","","","","","","","","","","","","sulfamethazine","Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1","ASWVTGNCAZCNNR-UHFFFAOYSA-N","5327",NA,"PDBC01214","","Present"
-"Sulfamethizole","","","","","","","sulfamethizole","","","","","","","","","","","","","","","Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","VACCAVUAMIDAGB-UHFFFAOYSA-N","5328",TRUE,"PDBC01215","","Absent"
-"Sulfamethoxazole","","","","","","","sulfamethoxazole","","","","","","","","","","","","","","","Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1","JLKIGFTWXXRPMT-UHFFFAOYSA-N","5329",TRUE,"PDBC01216","","Absent"
-"Sulfamonomethoxine","","","","","","","sulfamonomethoxine","","","","","","","","","","","","","","","COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1","WMPXPUYPYQKQCX-UHFFFAOYSA-N","5332",NA,"PDBC01217","","Absent"
-"Sulfanilamide","","","","","","","sulfanilamide","","","","","","","","","","","","","","sulfanilamide","Nc1ccc(cc1)S(=O)(=O)N","FDDDEECHVMSUSB-UHFFFAOYSA-N","5333",TRUE,"PDBC01218","","Present"
-"Sulfapyridine","","","","","","","sulfapyridine","","","","","","","","","","","","","","","Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2","GECHUMIMRBOMGK-UHFFFAOYSA-N","5336",TRUE,"PDBC01219","","Absent"
-"Sulfaquinoxaline","","","","","","","sulfaquinoxaline","","","","","","","","","","","","","sulquin","","Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2","NHZLNPMOSADWGC-UHFFFAOYSA-N","5338",NA,"PDBC01220","41805","Present"
-"Sulfathiazole","","","","","","","sulfathiazole","","","","","","","","","","","","","dulana","","Nc1ccc(cc1)S(=O)(=O)Nc2nccs2","JNMRHUJNCSQMMB-UHFFFAOYSA-N","5340",TRUE,"PDBC01221","31812","Present"
-"Sulfinpyrazone","","","","","","","sulfinpyrazone","","","","","","","","","","","","","","","O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4","MBGGBVCUIVRRBF-UHFFFAOYSA-N","5342",TRUE,"PDBC01222","","Absent"
-"Sulfisoxazole","","","","","","","sulfafurazole","","","","","","","","","","","","","","","Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C","NHUHCSRWZMLRLA-UHFFFAOYSA-N","5344",NA,"PDBC01223","","Absent"
-"Sulmazole","","","","","","","sulmazole","","","","","","","","","","","","Sulmazole","","sulmazole","COc1cc(ccc1c2nc3cccnc3[nH]2)S(=O)C","XMFCOYRWYYXZMY-UHFFFAOYSA-N","5353",NA,"PDBC01224","","Present"
-"Sulpiride","","","","","","","sulpiride","","","","","","","","","","","","","","","CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N","BGRJTUBHPOOWDU-UHFFFAOYSA-N","5355",NA,"PDBC01225","","Absent"
-"Suprofen","","","","","","","suprofen","","","","","","","","","","","","","","","CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2","MDKGKXOCJGEUJW-UHFFFAOYSA-N","5359",TRUE,"PDBC01226","","Absent"
-"Suramin sodium","","","","","","","suramin sodium","","","","","","","","","","","","","","","Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","VAPNKLKDKUDFHK-UHFFFAOYSA-H","5360",NA,"PDBC01227","","Absent"
-"Suxibuzone","","","","","","","suxibuzone","","","","","","","","","","","","","","suxibuzone","CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3","ONWXNHPOAGOMTG-UHFFFAOYSA-N","5362",NA,"PDBC01228","","Present"
-"Tacrine","","","","","","","tacrine","","","","","","","","","","","","","","","Nc1c2CCCCc2nc3ccccc13","YLJREFDVOIBQDA-UHFFFAOYSA-N","1935",TRUE,"PDBC01229","","Absent"
-"Tenoxicam","","","","","","","tenoxicam","","","","","","","","","","","","","","","CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3","LZNWYQJJBLGYLT-UHFFFAOYSA-N","54677971",NA,"PDBC01230","","Absent"
-"Terazosin","","","","","","","terazosin","","","","","","","","","","","","","","","COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[C@H]4CCCO4","VCKUSRYTPJJLNI-UHFFFAOYSA-N","5401",TRUE,"PDBC01231","","Absent"
-"Terbutaline","","","","","","","terbutaline","","","","","","","","","","","","","","terbutaline","CC(C)(C)NCC(O)c1cc(O)cc(O)c1","XWTYSIMOBUGWOL-UHFFFAOYSA-N","5403",TRUE,"PDBC01232","","Present"
-"Terconazole","","","","","","","terconazole","","","","","","","","","","","","Terconazole","Terconazole","terconazole","CC(C)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2","BLSQLHNBWJLIBQ-OZXSUGGESA-N","441383",TRUE,"PDBC01233","331942","Present"
-"Terguride","","","","","","","terguride","","","","","","","","","","","","","","","CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1","JOAHPSVPXZTVEP-YXJHDRRASA-N","443951",NA,"PDBC01234","","Absent"
-"Testosterone","","","","","","","testosterone","","","","","","","","","","","","","","","C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1O","MUMGGOZAMZWBJJ-DYKIIFRCSA-N","6013",TRUE,"PDBC01235","","Absent"
-"Tetracaine","","","","","","","tetracaine","","","","","","","","","","","","","","","CCCCNc1ccc(cc1)C(=O)OCCN(C)C","GKCBAIGFKIBETG-UHFFFAOYSA-N","5411",TRUE,"PDBC01236","","Absent"
-"Tetracycline","","","","","","","tetracycline","","","","","","","","","","","","","","","CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O","NWXMGUDVXFXRIG-WESIUVDSSA-N","54675776",TRUE,"PDBC01237","","Absent"
-"Tetrahydrozoline","","","","","","","tetryzoline","","","","","","","","","","","","Tetrahydrozoline hydrochloride","","","C1CN=C(N1)C2CCCc3ccccc23","BJORNXNYWNIWEY-UHFFFAOYSA-N","10648",NA,"PDBC01238","","Absent"
-"Theobromine","","","","","","","theobromine","","","","","","","","","","","","","","","Cn1cnc2n(C)c(=O)[nH]c(=O)c12","YAPQBXQYLJRXSA-UHFFFAOYSA-N","5429",NA,"PDBC01239","","Absent"
-"Thiabendazole","","","","","","","tiabendazole","","","","","","","","","","","","","tecto","","c1nc(cs1)c2nc3ccccc3[nH]2","WJCNZQLZVWNLKY-UHFFFAOYSA-N","5430",NA,"PDBC01240","525040///90507","Present"
-"Thiamphenicol","","","","","","","thiamphenicol","","","","","","","","","","","","","","","CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl","OTVAEFIXJLOWRX-NXEZZACHSA-N","27200",NA,"PDBC01241","","Absent"
-"Thiethylperazine","","","","","","","thiethylperazine","","","","","","","","","","","","","","","CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1","XCTYLCDETUVOIP-UHFFFAOYSA-N","5440",TRUE,"PDBC01242","","Absent"
-"Thiostrepton","","","","","","","thiostrepton","","","","","","","","","","","","Thiostrepton","thiostrepton (usan)","thiostrepton","CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)C(=CC)NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C","NSFFHOGKXHRQEW-DVRIZHICSA-N","16129666",NA,"PDBC01243","759821","Present"
-"Thonzonium bromide","","","","","","","tonzonium bromide","","","","","","","","","","","","","thonzide","","CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2","WBWDWFZTSDZAIG-UHFFFAOYSA-M","11102",NA,"PDBC01244","5648///760359","Present"
-"Tiapride","","","","","","","tiapride","","","","","","","","","","","","","","","CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C","JTVPZMFULRWINT-UHFFFAOYSA-N","5467",NA,"PDBC01245","","Absent"
-"Ticarcillin","","","","","","","ticarcillin","","","","","","","","","","","","","","","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O","OHKOGUYZJXTSFX-KZFFXBSXSA-N","36921",TRUE,"PDBC01246","","Absent"
-"Ticlopidine","","","","","","","ticlopidine","","","","","","","","","","","","","","","Clc1ccccc1CN2CCc3sccc3C2","PHWBOXQYWZNQIN-UHFFFAOYSA-N","5472",TRUE,"PDBC01247","","Absent"
-"Timolol","","","","","","","timolol","","","","","","","","","","","","","","","CC(C)(C)NC[C@@H](O)COc1nsnc1N2CCOCC2","BLJRIMJGRPQVNF-JTQLQIEISA-N","33624",TRUE,"PDBC01248","","Absent"
-"Tinidazole","","","","","","","tinidazole","","","","","","","","","","","","Tinidazole","","","CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-]","HJLSLZFTEKNLFI-UHFFFAOYSA-N","5479",TRUE,"PDBC01249","","Absent"
-"Tiratricol","","","","","","","tiratricol","","","","","","","","","","","","","","","OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1","UOWZUVNAGUAEQC-UHFFFAOYSA-N","5803",NA,"PDBC01250","","Absent"
-"Tobramycin","","","","","","","tobramycin","","","","","","","","","","","","","","","NCC1O[C@@H](O[C@@H]2[C@H](N)C[C@@H](N)C(O[C@H]3OC(CO)[C@@H](O)[C@@H](N)[C@H]3O)C2O)[C@H](N)C[C@@H]1O","NLVFBUXFDBBNBW-PBSUHMDJSA-N","36294",TRUE,"PDBC01251","","Absent"
-"Todralazine","","","","","","","todralazine","","","","","","","","","","","","","","","CCOC(=O)NNc1nncc2ccccc12","WGZDBVOTUVNQFP-UHFFFAOYSA-N","5501",NA,"PDBC01252","","Absent"
-"Tolazamide","","","","","","","tolazamide","","","","","","","","","","","","","","","Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2","OUDSBRTVNLOZBN-UHFFFAOYSA-N","5503",TRUE,"PDBC01253","","Absent"
-"Tolazoline","","","","","","","tolazoline","","","","","","","","","","","","","","","C(C1=NCCN1)c2ccccc2","JIVZKJJQOZQXQB-UHFFFAOYSA-N","5504",TRUE,"PDBC01254","","Absent"
-"Tolfenamic acid","","","","","","","tolfenamic acid","","","","","","","","","","","","","","","Cc1cc(Nc2ccccc2C(=O)O)ccc1Cl","YEZNLOUZAIOMLT-UHFFFAOYSA-N","610479",NA,"PDBC01255","","Absent"
-"Tolmetin","","","","","","","tolmetin","","","","","","","","","","","","","","","Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C","UPSPUYADGBWSHF-UHFFFAOYSA-N","5509",TRUE,"PDBC01256","","Absent"
-"Tolnaftate","","","","","","","tolnaftate","","","","","","","","","","","","","","","CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3","FUSNMLFNXJSCDI-UHFFFAOYSA-N","5510",NA,"PDBC01257","","Absent"
-"Topiramate","","","","","","","topiramate","","","","","","","","","","","","","","","CC1(C)OC2CO[C@@]3(COS(=O)(=O)N)OC(C)(C)O[C@@H]3C2O1","KJADKKWYZYXHBB-XBWDGYHZSA-N","5284627",TRUE,"PDBC01258","","Absent"
-"Torsemide","","","","","","","torasemide","","","","","","","","","","","","","","torasemide","CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2","NGBFQHCMQULJNZ-UHFFFAOYSA-N","41781",NA,"PDBC01259","","Present"
-"Tranexamic acid","","","","","","","tranexamic acid","","","","","","","","","","","","","","","NC[C@H]1CC[C@@H](CC1)C(=O)O","GYDJEQRTZSCIOI-UHFFFAOYSA-N","1549136",TRUE,"PDBC01260","","Absent"
-"Parnate","","","","","","","tranylcypromine","","","","","","","","","","","","","","","NC1C[C@H]1c2ccccc2","AELCINSCMGFISI-DTWKUNHWSA-N","19493",TRUE,"PDBC01261","","Absent"
-"Trazodone","","","","","","","trazodone","","","","","","","","","","","","","","","Clc1cccc(c1)N2CCN(CCCn3nc4ccccn4c3=O)CC2","PHLBKPHSAVXXEF-UHFFFAOYSA-N","5533",TRUE,"PDBC01262","","Absent"
-"Triamcinolone","","","","","","","triamcinolone","","","","","","","","","","","","","Triamcinolone","triamcinolone","C[C@@]12C[C@H](O)[C@@]3(F)C(CCC4=CC(=O)C=C[C@@]43C)C2C[C@@H](O)[C@]1(O)C(=O)CO","GFNANZIMVAIWHM-OBYCQNJPSA-N","31307",TRUE,"PDBC01263","13397","Present"
-"Triamterene","","","","","","","triamterene","","","","","","","","","","","","","","triamterene","Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3","FNYLWPVRPXGIIP-UHFFFAOYSA-N","5546",TRUE,"PDBC01264","","Present"
-"Trichlorfon","","","","","","","metrifonate","","","","","","","","","","","","","","","COP(=O)(OC)C(O)C(Cl)(Cl)Cl","NFACJZMKEDPNKN-UHFFFAOYSA-N","5853",NA,"PDBC01265","","Absent"
-"Trichlormethiazide","","","","","","","trichlormethiazide","","","","","","","","","","","","","","","NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl","LMJSLTNSBFUCMU-UHFFFAOYSA-N","5560",TRUE,"PDBC01266","","Absent"
-"Tridihexethyl","","","","","","","tridihexethyl","","","","","","","","","","","","","","","CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2","NPRHVSBSZMAEIN-UHFFFAOYSA-N","20299",TRUE,"PDBC01267","","Absent"
-"Triflupromazine","","","","","","","triflupromazine","","","","","","","","","","","","Triflupromazine hydrochloride","","","CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F","XSCGXQMFQXDFCW-UHFFFAOYSA-N","5568",TRUE,"PDBC01268","","Absent"
-"Trifluridine","","","","","","","trifluridine","","","","","","","Trifluorothymidine","","","","","","","trifluridine","OC[C@H]1OC(C[C@@H]1O)n2cc(c(=O)[nH]c2=O)C(F)(F)F","VSQQQLOSPVPRAZ-RRKCRQDMSA-N","6256",TRUE,"PDBC01269","","Present"
-"Trimeprazine","","","","","","","alimemazine","","","","","","","","","","","","","","","CC(CN(C)C)CN1c2ccccc2Sc3ccccc13","ZZHLYYDVIOPZBE-UHFFFAOYSA-N","5574",NA,"PDBC01270","","Absent"
-"Trimetazidine","","","","","","","trimetazidine","","","","","","","","","","","","","","","COc1ccc(CN2CCNCC2)c(OC)c1OC","UHWVSEOVJBQKBE-UHFFFAOYSA-N","21109",NA,"PDBC01271","","Absent"
-"Trimethadione","","","","","","","trimethadione","","","","","","","","","","","","","","","CN1C(=O)OC(C)(C)C1=O","IRYJRGCIQBGHIV-UHFFFAOYSA-N","5576",TRUE,"PDBC01272","","Absent"
-"Trimethobenzamide","","","","","","","trimethobenzamide","","","","","","","","","","","","","","","COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2","FEZBIKUBAYAZIU-UHFFFAOYSA-N","5577",TRUE,"PDBC01273","","Absent"
-"Trimethoprim","","","","","","","trimethoprim","","","","","","","","","","","","","","","COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","IEDVJHCEMCRBQM-UHFFFAOYSA-N","5578",TRUE,"PDBC01274","","Absent"
-"Trimipramine","","","","","","","trimipramine","","","","","","","","","","","","","","","CC(CN(C)C)CN1c2ccccc2CCc3ccccc13","ZSCDBOWYZJWBIY-UHFFFAOYSA-N","5584",TRUE,"PDBC01275","","Absent"
-"Trioxsalen","","","","","","","trioxysalen","","","","","","","","","","","","","lactone","","Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1","FMHHVULEAZTJMA-UHFFFAOYSA-N","5585",NA,"PDBC01276","71047","Present"
-"Triprolidine","","","","","","","triprolidine","","","","","","","","","","","","","","","Cc1ccc(cc1)/C(=C\CN2CCCC2)/c3ccccn3","CBEQULMOCCWAQT-WOJGMQOQSA-N","5282443",TRUE,"PDBC01277","","Absent"
-"Troleandomycin","","","","","","","troleandomycin","","","","","","","","","","","","","","","CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)C)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C","LQCLVBQBTUVCEQ-QTFUVMRISA-N","202225",TRUE,"PDBC01278","","Absent"
-"Tropicamide","","","","","","","tropicamide","","","","","","","","","","","","","","","CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2","BGDKAVGWHJFAGW-UHFFFAOYSA-N","5593",TRUE,"PDBC01279","","Absent"
-"Ursodeoxycholic acid","","","","","","","ursodeoxycholic acid","","","","","","","","","","","","","Ursodeoxycholic acid","","C[C@H](CCC(=O)O)[C@H]1CCC2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C","RUDATBOHQWOJDD-UZVSRGJWSA-N","31401",NA,"PDBC01280","657950","Present"
-"Vancomycin","","","","","","","vancomycin","","","","","","","","","","","","","","","CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@H]5NC(=O)[C@@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1OC(CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2","MYPYJXKWCTUITO-LYRMYLQWSA-N","14969",TRUE,"PDBC01281","","Absent"
-"Vidarabine","","","","","","","vidarabine","","","","","","","","","","","","","","vidarabine","Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O","OIRDTQYFTABQOQ-UHTZMRCNSA-N","21704",TRUE,"PDBC01282","","Present"
-"Vigabatrin","","","","","","","vigabatrin","","","","","","","","","","","","","","","N[C@@H](CCC(=O)O)C=C","PJDFLNIOAUIZSL-UHFFFAOYSA-N","25202592",TRUE,"PDBC01283","","Absent"
-"Vincamine","","","","","","","vincamine","","","","","","","","","","","","","","vincamine","CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O","RXPRRQLKFXBCSJ-GIVPXCGWSA-N","15376",NA,"PDBC01284","","Present"
-"Vinpocetine","","","","","","","vinpocetine","","","","","","","","","","","","","","","CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@@H]32)n1c5ccccc45","DDNCQMVWWZOMLN-IRLDBZIGSA-N","443955",NA,"PDBC01285","","Absent"
-"Celiomycin","","","","","","","viomycin","","","","","","","","","","","","","","","NCCCC(N)CC(=O)NC1CNC(=O)C(NC(=O)/C(=C/NC(=O)N)/NC(=O)C(CO)NC(=O)C(CO)NC1=O)C2CC(O)N=C(N)N2","GXFAIFRPOKBQRV-GHXCTMGLSA-N","3037981",TRUE,"PDBC01286","","Absent"
-"Cholecalciferol","","","","","","","colecalciferol","","","","","","","","","","","","","Cholecalciferol","cholecalciferol","CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@H](O)CCC3=C)/CCC[C@]12C","QYSXJUFSXHHAJI-YRZJJWOYSA-N","5280795",NA,"PDBC01287","375571","Present"
-"Ergocalciferol","","","","","","","ergocalciferol","","","","","","","","","","","","","","","CC(C)[C@@H](C)/C=C/[C@@H](C)C1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C","MECHNRXZTMCUDQ-RKHKHRCZSA-N","5280793",TRUE,"PDBC01288","","Absent"
-"Xylazine","","","","","","","xylazine","","","","","","","","","","","","","","xylazine","Cc1cccc(C)c1NC2=NCCCS2","BPICBUSOMSTKRF-UHFFFAOYSA-N","5707",NA,"PDBC01289","","Present"
-"Zalcitabine","","","","","","","zalcitabine","","","","","","","","","","","","","Zalcitabine","","Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1","WREGKURFCTUGRC-POYBYMJQSA-N","24066",TRUE,"PDBC01290","606170","Present"
-"Zaprinast","","","","","","","zaprinast","","","","","","","","","","","","","","","CCCOc1ccccc1c2nc3[nH]nnc3c(=O)[nH]2","REZGGXNDEMKIQB-UHFFFAOYSA-N","5722",NA,"PDBC01291","","Absent"
-"Zidovudine","","","","","","","zidovudine","","","","","","","","","","","","","","","Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O","HBOMLICNUCNMMY-XLPZGREQSA-N","35370",TRUE,"PDBC01292","","Absent"
-"Zimeldine","","","","","","","zimeldine","","","","","","","","","","","","","","","CN(C)C/C=C(/c1ccc(Br)cc1)\c2cccnc2","OYPPVKRFBIWMSX-SXGWCWSVSA-N","5365247",NA,"PDBC01293","","Absent"
-"H-7","","","","","","","H-7","","","","","","","","","","","","H-7 dihydrochloride","","","CC1CNCCN1S(=O)(=O)c2cccc3cnccc23","BDVFVCGFMNCYPV-UHFFFAOYSA-N","3542",NA,"PDBC01294","","Absent"
-"tyrphostin AG-825","","","","","","","tyrphostin AG-825","","","","","","","","","","","","","","","COc1cc(/C=C(\C#N)/C(=O)N)cc(CSc2nc3ccccc3s2)c1O","KXDONFLNGBQLTN-WUXMJOGZSA-N","6091659",NA,"PDBC01295","","Absent"
-"Apigenin","","","","","","","apigenin","","","","","","","","","","","","","Chamomile","","Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2","KZNIFHPLKGYRTM-UHFFFAOYSA-N","5280443",NA,"PDBC01296","83244","Present"
-"Apramycin","","","","","","","apramycin","","","","","","","","","","","","","","","CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@@]4(C)O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O","XZNUGFQTQHRASN-XQENGBIVSA-N","3081545",NA,"PDBC01297","","Absent"
-"Artemisinin","","","","","","","artemisinin","","","","","","","","","","","","","","artemisinin","C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4","BLUAFEHZUWYNDE-NNWCWBAJSA-N","68827",NA,"PDBC01298","","Present"
-"Betazole","","","","","","","betazole","","","","","","","","","","","","","","","NCCc1cc[nH]n1","JXDFEQONERDKSS-UHFFFAOYSA-N","7741",TRUE,"PDBC01299","","Absent"
-"Caffeic acid","","","","","","","caffeic acid","","","","","","","","","","","","","Caffeic acid","caffeic-acid","OC(=O)/C=C/c1ccc(O)c(O)c1","QAIPRVGONGVQAS-DUXPYHPUSA-N","689043",NA,"PDBC01300","57197","Present"
-"Chlorogenic acid","","","","","","","chlorogenic acid","","","","","","","","","","","","","","chlorogenic-acid","O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O","CWVRJTMFETXNAD-JUHZACGLSA-N","1794427",NA,"PDBC01301","","Present"
-"Taractan","","","","","","","chlorprothixene","","","","","","","","","","","","Chlorprothixene hydrochloride","","","CN(C)CC/C=C/1\c2ccccc2Sc3ccc(Cl)cc13","WSPOMRSOLSGNFJ-AUWJEWJLSA-N","667467",TRUE,"PDBC01302","","Absent"
-"Chrysin","","","","","","","chrysin","","","","","","","","","","","","","Chrysin","","Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3","RTIXKCRFFJGDFG-UHFFFAOYSA-N","5281607",NA,"PDBC01303","407436","Present"
-"Cinchonine","","","","","","","cinchonine","","","","","","","","","","","","","cinchonine","","O[C@@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34","KMPWYEUPVWOPIM-QAMTZSDWSA-N","90454",NA,"PDBC01304","6176","Present"
-"Citiolone","","","","","","","citiolone","","","","","","","","","","","","","","","CC(=O)NC1SCCC1=O","NRFJZTXWLKPZAV-UHFFFAOYSA-N","14520",NA,"PDBC01305","","Absent"
-"Corticosterone","","","","","","","corticosterone","","","","","","","","","","","","","","","C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1C(=O)CO","OMFXVFTZEKFJBZ-HJTSIMOOSA-N","5753",NA,"PDBC01306","","Absent"
-"Galantamine","","","","","","","galantamine","","","","","","","","","","","","","","","COc1ccc2CN(C)CC[C@]34C=C[C@H](O)C[C@@H]4Oc1c23","ASUTZQLVASHGKV-JDFRZJQESA-N","9651",TRUE,"PDBC01307","","Absent"
-"L-Cycloserine","","","","","","","levcycloserine","","","","","","","","","","","","","","","N[C@@H]1CONC1=O","DYDCUQKUCUHJBH-REOHCLBHSA-N","449215",NA,"PDBC01308","","Absent"
-"Lactobionic acid","","","","","","","lactobionic acid","","","","","","","","","","","","","","","OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(=O)O","JYTUSYBCFIZPBE-AMTLMPIISA-N","7314",NA,"PDBC01309","","Absent"
-"Mefexamide","","","","","","","mefexamide","","","","","","","","","","","","","","mefexamide","CCN(CC)CCNC(=O)COc1ccc(OC)cc1","HUNIPYLVUPMFCZ-UHFFFAOYSA-N","4045",NA,"PDBC01310","","Present"
-"Meglumine","","","","","","","meglumine","","","","","","","","","","","","","","","CNCC(O)C(O)C(O)C(O)CO","MBBZMMPHUWSWHV-BDVNFPICSA-N","8567",NA,"PDBC01311","","Absent"
-"Miconazole","","","","","","","miconazole","","","","","","","","","","","","","NSC169434///NSC757119///Miconazole","","C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl","BYBLEWFAAKGYCD-UHFFFAOYSA-N","4189",TRUE,"PDBC01312","169434///757119///170986","Present"
-"N-Acetyl-L-leucine","","","","","","","N-acetyl-L-leucine","","","","","","","","","","","","","","","CC(C)C[C@H](NC(=O)C)C(=O)O","WXNXCEHXYPACJF-ZETCQYMHSA-N","70912",NA,"PDBC01313","","Absent"
-"Nisoxetine","","","","","","","nisoxetine","","","","","","","","","","","","","","nisoxetine","CNCCC(Oc1ccccc1OC)c2ccccc2","ITJNARMNRKSWTA-UHFFFAOYSA-N","4500",NA,"PDBC01314","","Present"
-"Ozagrel","","","","","","","ozagrel","","","","","","","","","","","","","","","OC(=O)/C=C/c1ccc(Cn2ccnc2)cc1","SHZKQBHERIJWAO-AATRIKPKSA-N","5282440",NA,"PDBC01315","","Absent"
-"Propidium iodide","","","","","","","propidium iodide","","","","","","","","","","","","","","","CC[N+](C)(CC)CCC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14","XJMOSONTPMZWPB-UHFFFAOYSA-M","104981",NA,"PDBC01316","","Absent"
-"Rottlerin","","","","","","","rottlerin","","","","","","","","","","","","","Rottlerin","","CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C(=O)/C=C/c3ccccc3)c4OC(C)(C)C=Cc4c2O)c1O","DEZFNHCVIZBHBI-ZHACJKMWSA-N","5281847",NA,"PDBC01317","94525","Present"
-"SB-202190","","","","","","","SB-202190","","","","","","","","","","","","","SB-202190","","Oc1ccc(cc1)c2nc(c([nH]2)c3ccncc3)c4ccc(F)cc4","NJNKPVPFGLGHPA-UHFFFAOYSA-N","5353940",NA,"PDBC01318","789969","Present"
-"SB-203580","","","","","","","SB-203580","","","","","","","","","","","","","SB-203580","","CS(=O)c1ccc(cc1)c2nc(c([nH]2)c3ccncc3)c4ccc(F)cc4","CDMGBJANTYXAIV-UHFFFAOYSA-N","176155",NA,"PDBC01319","755772","Present"
-"Sulfameter","","","","","","","sulfametoxydiazine","","","","","","","","","","","","","","","COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1","GPTONYMQFTZPKC-UHFFFAOYSA-N","5326",NA,"PDBC01320","","Absent"
-"Sulfaphenazole","","","","","","","sulfaphenazole","","","","","","","","","","","","","","","Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3","QWCJHSGMANYXCW-UHFFFAOYSA-N","5335",TRUE,"PDBC01321","","Absent"
-"Tocainide","","","","","","","tocainide","","","","","","","","","","","","","","","CC(N)C(=O)Nc1c(C)cccc1C","BUJAGSGYPOAWEI-UHFFFAOYSA-N","38945",TRUE,"PDBC01322","","Absent"
-"Vanoxerine","","","","","","","vanoxerine","","","","","","","","","","","","GBR 12909 dihydrochloride","","vanoxerine","Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4","MIBSKSYCRFWIRU-UHFFFAOYSA-N","104920",NA,"PDBC01323","","Present"
-"quinostatin","","","","","","","quinostatin","","","","","","","","","","","","","","","CCc1ccc(cc1)C(=O)c2cnc3cc4OCCOc4cc3c2N5CCC(CC5)C(=O)N","","6620134",NA,"PDBC01324","","Absent"
-"5186223","","","","","","","5186223","","","","","","","","","","","","","","","COc1ccc(cc1)C(CC(=O)c2ccccc2)Nc3ccc(Br)cc3","","",NA,"PDBC01325","","Absent"
-"5211181","","","","","","","5211181","","","","","","","","","","","","","","","[O-][N+](=O)c1ccccc1NC(=O)c2cc(ccc2Cl)S(=O)(=O)N3CCCCC3","","",NA,"PDBC01326","","Absent"
-"5149715","","","","","","","5149715","","","","","","","","","","","","","","","Cc1cc(=O)oc2cc(OC(=O)COc3ccc4c(=O)c(c(C)oc4c3)c5ccc6OCCOc6c5)ccc12","","",NA,"PDBC01327","","Absent"
-"5224221","","","","","","","5224221","","","","","","","","","","","","","","","O=C(Nc1ccc(/C=C/C(=O)c2ccccc2)cc1)C(c3ccccc3)c4ccccc4","","",NA,"PDBC01328","","Absent"
-"5152487","","","","","","","5152487","","","","","","","","","","","","","","","Brc1cc(Br)c(OC(=O)c2ccccc2C(=O)OCC#C)c(Br)c1","","",NA,"PDBC01329","","Absent"
-"5114445","","","","","","","5114445","","","","","","","","","","","","","","","[O-][N+](=O)c1ccc(cc1)C(=O)Oc2c(Cl)cc(Cl)c(Cl)c2CNC(=O)c3ccccc3","","",NA,"PDBC01330","","Absent"
-"5252917","","","","","","","5252917","","","","","","","","","","","","","","","Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2c3nc4ccccc4o3","","",NA,"PDBC01331","","Absent"
-"5162773","","","","","","","5162773","","","","","","","","","","","","","","","[O-][N+](=O)c1cc(ccc1Br)C(=O)Oc2ccc(OC(=O)c3ccc(Br)c(c3)[N+](=O)[O-])c(c2)C(=O)c4ccccc4","","",NA,"PDBC01332","","Absent"
-"5255229","","","","","","","5255229","","","","","","","","","","","","","","","CCc1ccc(cc1)c2nc3cc(NC(=O)c4cccc(c4)[N+](=O)[O-])ccc3o2","","",NA,"PDBC01333","","Absent"
-"5213008","","","","","","","5213008","","","","","","","","","","","","","","","Cc1cc(C)cc(NCC(=O)Nc2c(C)cccc2C)c1","","",NA,"PDBC01334","","Absent"
-"5248896","","","","","","","5248896","","","","","","","","","","","","","","","C/C(=C/1\C(=NN(C1=O)c2ccc(Br)cc2Br)C)/NCc3ccccc3","","",NA,"PDBC01335","","Absent"
-"5151277","","","","","","","5151277","","","","","","","","","","","","","","","CC1(C)CCC(=O)C2=C1OC3=C(C2C=C(Cl)Cl)C(=O)CCC3(C)C","","",NA,"PDBC01336","","Absent"
-"5279552","","","","","","","5279552","","","","","","","","","","","","","","","Clc1ccc2nnc(c3ccccc3)n2n1","","",NA,"PDBC01337","","Absent"
-"5230742","","","","","","","5230742","","","","","","","","","","","","","","","OC(=O)c1ccc(cc1NC(=O)c2ccccc2)[N+](=O)[O-]","","",NA,"PDBC01338","","Absent"
-"5109870","","","","","","","5109870","","","","","","","","","","","","","","","COc1cccc(/C=N\Nc2ccccn2)c1O","","",NA,"PDBC01339","","Absent"
-"5182598","","","","","","","5182598","","","","","","","","","","","","","","","C/C(=N\NC(=O)N)/c1cc(CNC(=O)CCl)cs1","","",NA,"PDBC01340","","Absent"
-"HC-Toxin","","","","","","","HC toxin","","","","","","","","","","","","","","","C[C@@H]1NC(=O)C2CCCN2C(=O)[C@H](CCCCCC(=O)C3CO3)NC(=O)C(C)NC1=O","GNYCTMYOHGBSBI-MNNKGFPISA-N","107864",NA,"PDBC01341","","Absent"
-"Decitabine","","","","","","","decitabine","decitabine","","","","","","Decitabine","","","","Decitabine","","DECITABINE","decitabine","Nc1ncn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1","XAUDJQYHKZQPEU-KVQBGUIXSA-N","451668",TRUE,"PDBC01342","127716","Present"
-"5286656","","","","","","","5286656","","","","","","","","","","","","","","","Clc1ccc(C(=O)n2cnc3ccccc23)c(Cl)c1","","",NA,"PDBC01343","","Absent"
-"Y-27632 Dihydrochloride","","","","","","","Y-27632","","","","","","","","","","","","","Y-27632","Y-27632","C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2","IYOZTVGMEWJPKR-VOMCLLRMSA-N","448042",NA,"PDBC01344","751297","Present"
-"Ikarugamycin","","","","","","","ikarugamycin","","","","","","","","","","","","Ikarugamycin","Ikarugamycin","","CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4CCC(=O)C5=C(O)[C@H](CCCNC(=O)/C=C\C[C@@H]4[C@H]3C=C[C@@H]12)NC5=O","GHXZHWYUSAWISC-UHFFFAOYSA-N","57369669",NA,"PDBC01345","789948","Present"
-"Ionomycin","","","","","","","ionomycin","","","","","","","","","","","","","","","CC[C@@H](C)C[C@H](C)C[C@H](C)C(=O)/C=C(\O)/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@](C)(O1)[C@H]2CC[C@](C)(O2)[C@@H](C)O","PGHMRUGBZOYCAA-ADZNBVRBSA-N","6912226",NA,"PDBC01346","","Absent"
-"Celastrol","","","","","","","celastrol","","","","","","","","","","","","","Celastrol","","C[C@]1(CC[C@]2(C)CC[C@]3(C)C4=CC=C5C=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(=O)O","KQJSQWZMSAGSHN-JJWQIEBTSA-N","122724",NA,"PDBC01347","70931","Present"
-"pararosaniline","","","","","","","pararosaniline","","","","","","","","","","","","","p-Fuchsin","","Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3","JUQPZRLQQYSMEQ-UHFFFAOYSA-N","11292",NA,"PDBC01348","10460","Present"
-"(-)-Depudecin","","","","","","","depudecin","","","","","","","","","","","","","","","C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]2O[C@H]2[C@H](O)C=C","DLVJMFOLJOOWFS-VCACHIOZSA-N","71311723",NA,"PDBC01349","","Absent"
-"Monensin","","","","","","","monensin","","","","","","","","","","","","","","monensin","CC[C@]1(CCC(O1)[C@@]2(C)CC[C@@]3(C[C@@H](O)[C@H](C)C(O3)[C@H](C)[C@H](OC)C(C)C(=O)O)O2)C4OC(C[C@H]4C)C5O[C@@](O)(CO)[C@H](C)C[C@@H]5C","GAOZTHIDHYLHMS-KEOBGNEYSA-N","441145",NA,"PDBC01350","","Present"
-"DL-Ppmp","","","","","","","DL-PPMP","","","","","","","","","","","","","","","CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c2ccccc2","ORVAUBQYJOFWFY-ZHESDOBJSA-N","49837889",NA,"PDBC01351","","Absent"
-"BW-B70C","","","","","","","BW-B70C","","","","","","","","","","","","","","","CC(/C=C/c1cccc(Oc2ccc(F)cc2)c1)N(O)C(=O)N","UAIYNMRLUHHRMF-AATRIKPKSA-N","5353454",NA,"PDBC01352","","Absent"
-"(-)-Catechin","","","","","","","(-)-catechin","","","","","","","","","","","","","","","OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3","PFTAWBLQPZVEMU-HIFRSBDPSA-N","73160",NA,"PDBC01353","","Absent"
-"Gibberellic acid","","","","","","","gibberellic acid","","","","","","","","","","","","","grocel","","C[C@]1([C@H]2[C@H](C(=O)O)[C@]3(CC(=C)[C@@]4(O)C3)[C@@H](CC4)[C@]52OC1=O)[C@@H](O)C=C5","IXORZMNAPKEEDV-OBDJNFEBSA-N","6466",NA,"PDBC01354","14190","Present"
-"Demecolcine","","","","","","","demecolcine","","","","","","","","","","","","","","","CNC1CCc2cc(OC)c(OC)c(OC)c2-c3ccc(OC)c(=O)cc13","NNJPGOLRFBJNIW-UHFFFAOYSA-N","2832",NA,"PDBC01355","","Absent"
-"Zoxazolamine","","","","","","","zoxazolamine","","","","","","","","","","","","","","","Nc1nc2cc(Cl)ccc2o1","YGCODSQDUUUKIV-UHFFFAOYSA-N","6103",NA,"PDBC01356","","Absent"
-"12,13-EODE","","","","","","","12,13-EODE","","","","","","","","","","","","","","","CCCCCC1OC1C/C=C\CCCCCCCC(=O)O","CCPPLLJZDQAOHD-DHZHZOJOSA-N","5283014",NA,"PDBC01357","","Absent"
-"Yohimbine","","","","","","","yohimbine","","","","","","","","","","","","","yohimbine","","COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12","BLGXFZZNTVWLAY-SCYLSFHTSA-N","8969",NA,"PDBC01358","19509","Present"
-"3-hydroxy-DL-kynurenine","","","","","","","3-hydroxy-DL-kynurenine","","","","","","","","","","","","","","","NC(CC(=O)c1cccc(O)c1N)C(=O)O","VCKPUUFAIGNJHC-UHFFFAOYSA-N","25244175",NA,"PDBC01359","","Absent"
-"phenanthridinone","","","","","","","phenanthridinone","","","","","","","","","","","","","","","O=c1[nH]c2ccccc2c3ccccc13","IHYKUAAWZFJGJJ-UHFFFAOYSA-N","53434997",NA,"PDBC01360","","Absent"
-"Pinacidil","","","","","","","pinacidil","","","","","","","","","","","","","","","CC(NC(=NC#N)Nc1ccncc1)C(C)(C)C","IVVNZDGDKPTYHK-UHFFFAOYSA-N","4826",TRUE,"PDBC01361","","Absent"
-"Acacetin","","","","","","","acacetin","","","","","","","","","","","","","","","COc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2","DANYIYRPLHHOCZ-UHFFFAOYSA-N","5280442",NA,"PDBC01362","","Absent"
-"Hesperetin","","","","","","","hesperetin","","","","","","","","","","","","","","","COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2","AIONOLUJZLIMTK-AWEZNQCLSA-N","72281",NA,"PDBC01363","","Absent"
-"Therafectin","","","","","","","amiprilose","","","","","","","","","","","","","","","CN(C)CCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)C(O)CO","RJNRORZRFGUAKL-ADMBVFOFSA-N","9798098",NA,"PDBC01364","","Absent"
-"Lycorine","","","","","","","lycorine","","","","","","","","","","","","Lycorine HCl","likorin","","O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@H]32)[C@@H]1O","XGVJWXAYKUHDOO-DANNLKNASA-N","72378",NA,"PDBC01365","401360","Present"
-"Phenethicillin","","","","","","","pheneticillin","","","","","","","","","","","","","","","CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O","NONJJLVGHLVQQM-JHXYUMNGSA-N","272833",NA,"PDBC01366","","Absent"
-"Glafenine","","","","","","","glafenine","","","","","","","","","","","","","","","OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23","GWOFUCIGLDBNKM-UHFFFAOYSA-N","3474",NA,"PDBC01367","","Absent"
-"Ebselen","","","","","","","ebselen","","","","","","","","","","","","Ebselen","","","O=c1n([se]c2ccccc12)c3ccccc3","DYEFUKCXAQOFHX-UHFFFAOYSA-N","3194",NA,"PDBC01368","","Absent"
-"Esculin","","","","","","","esculin","","","","","","","","","","","","","","","OC[C@H]1O[C@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O","XHCADAYNFIFUHF-TVKJYDDYSA-N","5281417",NA,"PDBC01369","","Absent"
-"S-propranolol","","","","","","","S-propranolol","","","","","","","","","","","","(S)-propranolol hydrochloride","","","CC(C)NC[C@H](O)COc1cccc2ccccc12","","",NA,"PDBC01370","","Absent"
-"Ouabain","","","","","","","ouabain","ouabain","","","","","","","","","","","","OUABAIN","ouabain","C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O","LPMXVESGRSUGHW-HBYQJFLCSA-N","439501",NA,"PDBC01371","757425","Present"
-"Isoflupredone","","","","","","","isoflupredone","","","","","","","","","","","","","NSC12600///NSC37977///isoflupredone","isoflupredone-acetate","CC12CC(C3(C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC43C)F)O","WAIJIHDWAKJCBX-BULBTXNYSA-N","127516",NA,"PDBC01372","12600///37977///12174","Present"
-"Meticrane","","","","","","","meticrane","","","","","","","","","","","","","","","Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)N","FNQQBFNIYODEMB-UHFFFAOYSA-N","4165",NA,"PDBC01373","","Absent"
-"Heptaminol","","","","","","","heptaminol","","","","","","","","","","","","","","","CC(N)CCCC(C)(C)O","LREQLEBVOXIEOM-UHFFFAOYSA-N","3590",NA,"PDBC01374","","Absent"
-"Dexpanthenol","","","","","","","dexpanthenol","","","","","","","","","","","","","","","CC(C)(CO)[C@@H](O)C(=O)NCCCO","SNPLKNRPJHDVJA-UHFFFAOYSA-N","4678",TRUE,"PDBC01375","","Absent"
-"Antipyrine","","","","","","","phenazone","","","","","","","","","","","","","","phenazone","Cc1cc(=O)n(c2ccccc2)n1C","VEQOALNAAJBPNY-UHFFFAOYSA-N","2206",NA,"PDBC01376","","Present"
-"4-hydroxyphenazone","","","","","","","4-hydroxyphenazone","","","","","","","","","","","","","","4-hydroxy-phenazone","Cc1c(O)c(=O)n(c2ccccc2)n1C","","",NA,"PDBC01377","","Present"
-"Hexamethonium bromide","","","","","","","hexamethonium bromide","","","","","","","","","","","","","","","C[N+](C)(C)CCCCCC[N+](C)(C)C","FAPSXSAPXXJTOU-UHFFFAOYSA-L","5938",NA,"PDBC01378","","Absent"
-"Isoxicam","","","","","","","isoxicam","","","","","","","","","","","","","","","CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3","YYUAYBYLJSNDCX-UHFFFAOYSA-N","54677972",NA,"PDBC01379","","Absent"
-"Amylocaine","","","","","","","amylocaine","","","","","","","","","","","","","","","CCC(C)(CN(C)C)OC(=O)c1ccccc1","FDMBBCOBEAVDAO-UHFFFAOYSA-N","10767",NA,"PDBC01380","","Absent"
-"Oxethazaine","","","","","","","oxetacaine","","","","","","","","","","","","Oxethazaine","","","CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2","FTLDJPRFCGDUFH-UHFFFAOYSA-N","4621",NA,"PDBC01381","","Absent"
-"Isoxsuprine","","","","","","","isoxsuprine","","","","","","","","","","","","","","isoxsuprine","CC(COc1ccccc1)NC(C)[C@H](O)c2ccc(O)cc2","BMUKKTUHUDJSNZ-UHFFFAOYSA-N","3783",NA,"PDBC01382","","Present"
-"Cotinine","","","","","","","cotinine","","","","","","","","","","","","","","","CN1[C@@H](CCC1=O)c2cccnc2","UIKROCXWUNQSPJ-VIFPVBQESA-N","854019",NA,"PDBC01383","","Absent"
-"Moroxydine","","","","","","","moroxydine","","","","","","","","","","","","","","","NC(=N)NC(=N)N1CCOCC1","KJHOZAZQWVKILO-UHFFFAOYSA-N","71655",NA,"PDBC01384","","Absent"
-"Aminopyrine","","","","","","","aminophenazone","","","","","","","","","","","","","","","CN(C)c1c(C)n(C)n(c2ccccc2)c1=O","RMMXTBMQSGEXHJ-UHFFFAOYSA-N","6009",NA,"PDBC01385","","Absent"
-"Azacyclonol","","","","","","","azacyclonol","","","","","","","","","","","","","","","OC(C1CCNCC1)(c2ccccc2)c3ccccc3","ZMISODWVFHHWNR-UHFFFAOYSA-N","15723",NA,"PDBC01386","","Absent"
-"Lynestrenol","","","","","","","lynestrenol","","","","","","","","","","","","Lynestrenol","","","C[C@@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]2CC[C@@]1(O)C#C","YNVGQYHLRCDXFQ-JBKQDOAHSA-N","5284486",NA,"PDBC01387","","Absent"
-"Acetylsalicylsalicylic acid","","","","","","","acetylsalicylsalicylic acid","","","","","","","","","","","","","","acetylsalicylsalicylic-acid","CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O","DDSFKIFGAPZBSR-UHFFFAOYSA-N","10745",NA,"PDBC01388","","Present"
-"Atropine oxide","","","","","","","atropine oxide","","","","","","","","","","","","","xtro, base","","","HGWPFSBHDACWNL-UHFFFAOYSA-N","20710",NA,"PDBC01389","72861","Present"
-"Dizocilpine","","","","","","","dizocilpine///(-)-MK-801","","","","","","","","","","","","","","","C[C@@]1(N[C@@H]2Cc3ccccc31)c4ccccc24","LBOJYSIDWZQNJS-CVEARBPZSA-N","180081",NA,"PDBC01390","","Absent"
-"Metanephrine","","","","","","","metanephrine","","","","","","","","","","","","","","","CNCC(O)c1ccc(O)c(OC)c1","JWJCTZKFYGDABJ-UHFFFAOYSA-N","21100",NA,"PDBC01391","","Absent"
-"Dehydrocholic acid","","","","","","","dehydrocholic acid","","","","","","","","","","","","","","dehydrocholate-acid","C[C@H](CCC(=O)O)[C@H]1CCC2C3C(CC(=O)[C@]12C)[C@@]4(C)CCC(=O)CC4CC3=O","OHXPGWPVLFPUSM-KLRNGDHRSA-N","6674",NA,"PDBC01392","","Present"
-"(-)-Mefloquine","","","","","","","mefloquine","","","","","","","","","","","","Mefloquine hydrochloride","","","OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F","XEEQGYMUWCZPDN-DOMZBBRYSA-N","40692",TRUE,"PDBC01393","","Absent"
-"Isoconazole","","","","","","","isoconazole","","","","","","","","","","","","Isoconazole","","","Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1","MPIPASJGOJYODL-UHFFFAOYSA-N","3760",NA,"PDBC01394","","Absent"
-"Astemizole","","","","","","","astemizole","","","","","","","","","","","","Astemizole","astemizole (usan)","astemizole","COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1","GXDALQBWZGODGZ-UHFFFAOYSA-N","2247",NA,"PDBC01395","759570","Present"
-"Terfenadine","","","","","","","terfenadine","","","","","","","","","","","","Terfenadine","seldane","terfenadine","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","GUGOEEXESWIERI-UHFFFAOYSA-N","5405",NA,"PDBC01396","758627///665802","Present"
-"Canrenoic acid","","","","","","","canrenoic acid","","","","","","","","","","","","","","","C[C@@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@]1(O)CCC(=O)O","PBKZPPIHUVSDNM-WNHSNXHDSA-N","656615",NA,"PDBC01397","","Absent"
-"Thioproperazine","","","","","","","thioproperazine","","","","","","","","","","","","Thioproperazine dimesylate","","thioproperazine","CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1","VZYCZNZBPPHOFY-UHFFFAOYSA-N","9429",NA,"PDBC01398","","Present"
-"Pentetrazol","","","","","","","pentetrazol","","","","","","","","","","","","","","","C1CCc2nnnn2CC1","CWRVKFFCRWGWCS-UHFFFAOYSA-N","5917",NA,"PDBC01399","","Absent"
-"Mafenide","","","","","","","mafenide","","","","","","","","","","","","","","","NCc1ccc(cc1)S(=O)(=O)N","TYMRLRRVMHJFTF-UHFFFAOYSA-N","3998",TRUE,"PDBC01400","","Absent"
-"Iproniazid","","","","","","","iproniazid","","","","","","","","","","","","","","iproniazid","CC(C)NNC(=O)c1ccncc1","NYMGNSNKLVNMIA-UHFFFAOYSA-N","3748",NA,"PDBC01401","","Present"
-"Mephenesin","","","","","","","mephenesin","","","","","","","","","","","","","","","Cc1ccccc1OCC(O)CO","JWDYCNIAQWPBHD-UHFFFAOYSA-N","4059",NA,"PDBC01402","","Absent"
-"4-Aminoantipyrine","","","","","","","ampyrone","","","","","","","","","","","","","","","Cc1c(N)c(=O)n(c2ccccc2)n1C","RLFWWDJHLFCNIJ-UHFFFAOYSA-N","2151",NA,"PDBC01403","","Absent"
-"Levamisole","","","","","","","levamisole","","","","","","","","","","","","","","","C1CN2C[C@@H](N=C2S1)c3ccccc3","HLFSDGLLUJUHTE-SNVBAGLBSA-N","26879",TRUE,"PDBC01404","","Absent"
-"Pentolinium","","","","","","","pentolonium","","","","","","","","","","","","","","","C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.OC(C(O)C(=O)O)C(=O)O","XSBSKEQEUFOSDD-UHFFFAOYSA-N","5850",NA,"PDBC01405","","Absent"
-"6-Benzylaminopurine","","","","","","","6-benzylaminopurine","","","","","","","","","","","","","","","C(Nc1ncnc2[nH]cnc12)c3ccccc3","NWBJYWHLCVSVIJ-UHFFFAOYSA-N","62389",NA,"PDBC01406","","Absent"
-"Oxolinic acid","","","","","","","oxolinic acid","","","","","","","","","","","","","","","CCn1cc(C(=O)O)c(=O)c2cc3OCOc3cc12","KYGZCKSPAKDVKC-UHFFFAOYSA-N","4628",NA,"PDBC01407","","Absent"
-"Hydrastinine","","","","","","","hydrastinine","","","","","","","","","","","","","","","CN1CCc2cc3OCOc3cc2C1O","YOJQZPVUNUQTDF-UHFFFAOYSA-N","3638",NA,"PDBC01408","","Absent"
-"Kavain","","","","","","","kawain","","","","","","","","","","","","","","","COC1=CC(=O)O[C@H](C1)/C=C/c2ccccc2","XEAQIWGXBXCYFX-GUOLPTJISA-N","5281565",NA,"PDBC01409","","Absent"
-"Fenspiride","","","","","","","fenspiride","","","","","","","","","","","","","","","O=C1NCC2(CCN(CCc3ccccc3)CC2)O1","FVNFBBAOMBJTST-UHFFFAOYSA-N","3344",NA,"PDBC01410","","Absent"
-"Antimycin A","","","","","","","antimycin A","","","","","","","","","","","","","","","CCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O","UIFFUZWRFRDZJC-SBOOETFBSA-N","14957",NA,"PDBC01411","","Absent"
-"Xylometazoline","","","","","","","xylometazoline","","","","","","","","","","","","","","","Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C","HUCJFAOMUPXHDK-UHFFFAOYSA-N","5709",NA,"PDBC01412","","Absent"
-"Hyoscine N-oxide","","","","","","","scopolamine N-oxide","","","","","","","","","","","","","","","C[N+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@H]32)OC(=O)[C@H](CO)c4ccccc4","UCHIECVTJBGPNP-IILNCVEESA-N","3000667",NA,"PDBC01413","","Absent"
-"Hyoscyamine","","","","","","","hyoscyamine","","","","","","","","","","","","","","hyoscyamine","CN1C2CC[C@@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3","RKUNBYITZUJHSG-UHFFFAOYSA-N","3661",NA,"PDBC01414","","Present"
-"Niflumic acid","","","","","","","niflumic acid","","","","","","","","","","","","","","","OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F","JZFPYUNJRRFVQU-UHFFFAOYSA-N","4488",NA,"PDBC01415","","Absent"
-"Ethisterone","","","","","","","ethisterone","","","","","","","","","","","","","","","CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C#C","CHNXZKVNWQUJIB-CEGNMAFCSA-N","5284557",NA,"PDBC01416","","Absent"
-"Fenoterol","","","","","","","fenoterol","","","","","","","","","","","","","","","CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2","LSLYOANBFKQKPT-UHFFFAOYSA-N","3343",NA,"PDBC01417","","Absent"
-"Pimethixene","","","","","","","pimethixene","","","","","","","","","","","","","","","CN1CCC(=C2c3ccccc3Sc4ccccc24)CC1","NZLVRVYNQYGMAB-UHFFFAOYSA-N","4822",NA,"PDBC01418","","Absent"
-"Fipexide","","","","","","","fipexide","","","","","","","","","","","","","","","Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1","BFUJHVVEMMWLHC-UHFFFAOYSA-N","3351",NA,"PDBC01419","","Absent"
-"Diperodon","","","","","","","diperodon","","","","","","","","","","","","","","","O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3","YUGZHQHSNYIFLG-UHFFFAOYSA-N","10831",NA,"PDBC01420","","Absent"
-"Telenzepine","","","","","","","telenzepine","","","","","","","","","","","","","","","CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc4ccccc24)CC1","VSWPGAIWKHPTKX-UHFFFAOYSA-N","5387",NA,"PDBC01421","","Absent"
-"Amodiaquine","","","","","","","amodiaquine","","","","","","","","","","","","Amodiaquin dihydrochloride dihydrate","","","CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O","OVCDSSHSILBFBN-UHFFFAOYSA-N","2165",TRUE,"PDBC01422","","Absent"
-"Clofilium tosylate","","","","","","","clofilium tosylate///Prestwick-682","","","","","","","","","","","","Clofilium tosylate","","","CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1","MOQZYUUHIWPDQC-UHFFFAOYSA-M","175533",NA,"PDBC01423","","Absent"
-"Tremorine","","","","","","","tremorine","","","","","","","","","","","","","","tremorine","C(C#CCN1CCCC1)N2CCCC2","JSUAJTLKVREZHV-UHFFFAOYSA-N","5534",NA,"PDBC01424","","Present"
-"Practolol","","","","","","","practolol","","","","","","","","","","","","","","practolol","CC(C)NCC(O)COc1ccc(NC(=O)C)cc1","DURULFYMVIFBIR-UHFFFAOYSA-N","4883",NA,"PDBC01425","","Present"
-"N6-Methyladenosine","","","","","","","N6-methyladenosine","","","","","","","","","","","","","","","CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O","VQAYFKKCNSOZKM-IOSLPCCCSA-N","102175",NA,"PDBC01426","","Absent"
-"Methapyrilene","","","","","","","methapyrilene","","","","","","","","","","","","","","","CN(C)CCN(Cc1cccs1)c2ccccn2","HNJJXZKZRAWDPF-UHFFFAOYSA-N","4098",NA,"PDBC01427","","Absent"
-"Clorgiline","","","","","","","clorgiline","","","","","","","","","","","","","","","CN(CCCOc1ccc(Cl)cc1Cl)CC#C","BTFHLQRNAMSNLC-UHFFFAOYSA-N","4380",NA,"PDBC01428","","Absent"
-"6-Thioguanosine","","","","","","","thioguanosine","","","","","","","","","","","","Thioguanosine","","","Nc1nc(S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1","OTDJAMXESTUWLO-UUOKFMHZSA-N","2724387",NA,"PDBC01429","","Absent"
-"Hycanthone","","","","","","","hycanthone","","","","","","","","","","","","Hycanthone","etrenol","","CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12","MFZWMTSUNYWVBU-UHFFFAOYSA-N","3634",NA,"PDBC01430","758434///134434","Present"
-"Adenosine monophosphate","","","","","","","adenosine phosphate","","","","","","","","","","","","","","","Nc1ncnc2n(cnc12)C3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O","UDMBCSSLTHHNCD-KQYNXXCUSA-N","6083",NA,"PDBC01431","","Absent"
-"Brinzolamide","","","","","","","brinzolamide","","","","","","","","","","","","","","","CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N","HCRKCZRJWPKOAR-JTQLQIEISA-N","68844",TRUE,"PDBC01432","","Absent"
-"Debrisoquine","","","","","","","debrisoquine","","","","","","","","","","","","","","","NC(=N)N1CCc2ccccc2C1","JWPGJSVJDAJRLW-UHFFFAOYSA-N","2966",NA,"PDBC01433","","Absent"
-"Methiothepin","","","","","","","metitepine","","","","","","","","","","","","Methiothepin maleate","","","CSc1ccc2Sc3ccccc3CC(N4CCN(C)CC4)c2c1","RLJFTICUTYVZDG-UHFFFAOYSA-N","4106",NA,"PDBC01434","","Absent"
-"Naftidrofuryl","","","","","","","naftidrofuryl","","","","","","","","","","","","","","naftidrofuryl","CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23","KBAFPSLPKGSANY-UHFFFAOYSA-N","4417",NA,"PDBC01435","","Present"
-"Mimosine","","","","","","","mimosine","","","","","","","","","","","","","mimosin","","N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O","WZNJWVWKTVETCG-UHFFFAOYSA-N","3862",NA,"PDBC01436","69188","Present"
-"Lidoflazine","","","","","","","lidoflazine","","","","","","","","","","","","Lidoflazine","","","Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2","ZBIAKUMOEKILTF-UHFFFAOYSA-N","3926",NA,"PDBC01437","","Absent"
-"Carbetapentane","","","","","","","pentoxyverine","","","","","","","","","","","","","","","CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2","CFJMRBQWBDQYMK-UHFFFAOYSA-N","2562",NA,"PDBC01438","","Absent"
-"Fusidic acid","","","","","","","fusidic acid","","","","","","","","","","","","","","","C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)C2[C@H](O)C[C@H]4/C(=C(/CCC=C(C)C)\C(=O)O)/[C@H](C[C@@]43C)OC(=O)C","IECPWNUMDGFDKC-MZJAQBGESA-N","3000226",NA,"PDBC01439","","Absent"
-"Hemicholinium","","","","","","","hemicholinium","","","","","","","","","","","","","","","C[N+]1(C)CCOC(O)(C1)c2ccc(cc2)c3ccc(cc3)C4(O)C[N+](C)(C)CCO4","JIWUESGGKYLPPG-UHFFFAOYSA-N","3585",NA,"PDBC01440","","Absent"
-"Kanamycin","","","","","","","kanamycin","","","","","","","","","","","","","","","NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","SBUJHOSQTJFQJX-NOAMYHISSA-N","6032",TRUE,"PDBC01441","","Absent"
-"Oxantel","","","","","","","oxantel","","","","","","","","","","","","","","","CN1CCCN=C1/C=C/c2cccc(O)c2.OC(=O)c1cc2ccccc2c(Cc3cc4ccccc4c(C(=O)O)c3O)c1O","VRYKTHBAWRESFI-VOTSOKGWSA-N","5281087",NA,"PDBC01442","","Absent"
-"Arecoline","","","","","","","arecoline","","","","","","","","","","","","","","","COC(=O)C1=CCCN(C)C1","HJJPJSXJAXAIPN-UHFFFAOYSA-N","2230",NA,"PDBC01443","","Absent"
-"dl-alpha tocopherol","","","","","","","dl-alpha tocopherol","","","","","","","","","","","","","","","CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1","GVJHHUAWPYXKBD-UHFFFAOYSA-N","2116",NA,"PDBC01444","","Absent"
-"Pepstatin","","","","","","","pepstatin","","","","","","","","","","","","","pepstatin","pepstatin","CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O","FAXGPCHRFPCXOO-LXTPJMTPSA-N","5478883",NA,"PDBC01445","272671","Present"
-"SR-95639A","","","","","","","SR-95639A","","","","","","","","","","","","","","","C(CN1CCOCC1)Nc2cc3CCCc4ccccc4-c3nn2","LAROMNHHFPRNET-UHFFFAOYSA-N","195164",NA,"PDBC01446","","Absent"
-"Androsterone","","","","","","","androsterone///Prestwick-689","","","","","","","","","","","","","","","C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]2CCC1=O","QGXBDMJGAMFCBF-HLUDHZFRSA-N","5879",NA,"PDBC01447","","Absent"
-"Anisomycin","","","","","","","anisomycin","","","","","","","","","","","","Anisomycin","anisomycin - hcl///ANISOMYCIN","anisomycin","CC(=O)OC1C(CNC1CC2=CC=C(C=C2)OC)O","YKJYKKNCCRKFSL-RDBSUJKOSA-N","253602",NA,"PDBC01448","147340///76712","Present"
-"N-Acetyl-L-aspartic acid","","","","","","","N-acetyl-L-aspartic acid","","","","","","","","","","","","","","","CC(=O)N[C@@H](CC(=O)O)C(=O)O","OTCCIMWXFLJLIA-BYPYZUCNSA-N","65065",NA,"PDBC01449","","Absent"
-"Betulinic acid","","","","","","","betulinic acid","betulinic acid","","","","","","","","","","","","Betulinic Acid","betulinic-acid","CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12)C(=O)O","QGJZLNKBHJESQX-FZFNOLFKSA-N","64971",NA,"PDBC01450","113090","Present"
-"Suloctidil","","","","","","","suloctidil","","","","","","","","","","","","Suloctidil","suloctidil (usan)","","CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1","BFCDFTHTSVTWOG-UHFFFAOYSA-N","5354",NA,"PDBC01451","757852","Present"
-"Carcinine","","","","","","","carcinine","","","","","","","","","","","","","","","NCCC(=O)NCCc1cnc[nH]1","ANRUJJLGVODXIK-UHFFFAOYSA-N","2574",NA,"PDBC01452","","Absent"
-"7-aminocephalosporanic acid","","","","","","","7-aminocephalosporanic acid","","","","","","","","","","","","","","7-aminocephalosporanic-acid","CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)O","HSHGZXNAXBPPDL-HZGVNTEJSA-N","441328",NA,"PDBC01453","","Present"
-"Chicago Sky Blue 6B","","","","","","","Chicago Sky Blue 6B","","","","","","","","","","","","","","chicago-sky-blue-6b","COc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)O)S(=O)(=O)O)c(OC)c4","UPKAWFACSJWKND-ZXLMSEFPSA-J","6364572",NA,"PDBC01454","","Present"
-"Cephaeline","","","","","","","cephaeline","","","","","","","","","","","","","","","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45","DTGZHCFJNDAHEN-OZEXIGSWSA-N","442195",NA,"PDBC01455","","Absent"
-"Coralyne chloride","","","","","","","coralyne","","","","","","","","","","","","","Coralyne chloride","","COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC","PDYBUYVOPAJLKP-UHFFFAOYSA-M","23306",NA,"PDBC01456","96349","Present"
-"Digitoxigenin","","","","","","","digitoxigenin","","","","","","","","","","","","Digitoxigenin","echujetin","digitoxigenin","C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]2(O)CC[C@@H]1C5=CC(=O)OC5","XZTUSOXSLKTKJQ-CESUGQOBSA-N","4369270",NA,"PDBC01457","407806","Present"
-"Epiandrosterone","","","","","","","epiandrosterone","","","","","","","","","","","","","","epiandrosterone","C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CCC1=O","QGXBDMJGAMFCBF-LUJOEAJASA-N","441302",NA,"PDBC01458","","Present"
-"Fusaric acid","","","","","","","fusaric acid","","","","","","","","","","","","","","","CCCCc1ccc(nc1)C(=O)O","DGMPVYSXXIOGJY-UHFFFAOYSA-N","3442",NA,"PDBC01459","","Absent"
-"SR-95531","","","","","","","SR-95531","","","","","","","","","","","","","","","COc1ccc(cc1)c2ccc(=N)n(CCCC(=O)O)n2","GFZHNFOGCMEYTA-UHFFFAOYSA-N","107895",NA,"PDBC01460","","Absent"
-"Ginkgolide-A","","","","","","","ginkgolide A","","","","","","","","","","","","","","ginkgolide-a","C[C@@H]1C(=O)OC2[C@H](O)C34[C@@H]5OC(=O)[C@@]4(O[C@@H]6OC(=O)[C@H](O)[C@@]63[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O","FPUXKXIZEIDQKW-VKMVSBOZSA-N","9909368",NA,"PDBC01461","","Present"
-"Velnacrine","","","","","","","velnacrine","","","","","","","","","","","","","","","Nc1c2C(O)CCCc2nc3ccccc13","HLVVITIHAZBPKB-UHFFFAOYSA-N","3655",NA,"PDBC01462","","Absent"
-"Lumicolchicine","","","","","","","lumicolchicine","","","","","","","","","","","","","","","COC1=C[C@H]2[C@H](C3=C2c4c(OC)c(OC)c(OC)cc4CC[C@@H]3NC(=O)C)C1=O","VKPVZFOUXUQJMW-FHSNZYRGSA-N","244898",NA,"PDBC01463","","Absent"
-"Lysergol","","","","","","","lysergol","","","","","","","","","","","","","","","CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34","BIXJFIJYBLJTMK-MEBBXXQBSA-N","14987",NA,"PDBC01464","","Absent"
-"Dinoprost","","","","","","","dinoprost","","","","","","","","","","","","","","","CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O","PXGPLTODNUVGFL-YNNPMVKQSA-N","5280363",TRUE,"PDBC01465","","Absent"
-"N-Acetyl-Muramic Acid","","","","","","","N-acetylmuramic acid","","","","","","","","","","","","","","","C[C@@H](O[C@@H]1[C@H](O)C(CO)O[C@H](O)C1NC(=O)C)C(=O)O","MNLRQHMNZILYPY-MDMHTWEWSA-N","6323218",NA,"PDBC01466","","Absent"
-"Myricetin","","","","","","","myricetin","myricetin","","","","","","","","","","","","myricetin","","Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3","IKMDFBPHZNJCSN-UHFFFAOYSA-N","5281672",NA,"PDBC01467","407290","Present"
-"Naringenin","","","","","","","naringenin","","","","","","","","","","","","","","","Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2","FTVWIRXFELQLPI-ZDUSSCGKSA-N","439246",NA,"PDBC01468","","Absent"
-"Naringin","","","","","","","naringin","","","","","","","","","","","","","Naringin","","C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O","DFPMSGMNTNDNHN-ZPHOTFPESA-N","442428",NA,"PDBC01469","5548","Present"
-"Neostigmine bromide","","","","","","","neostigmine bromide","","","","","","","","","","","","","","","CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C","LULNWZDBKTWDGK-UHFFFAOYSA-M","8246",NA,"PDBC01470","","Absent"
-"Niridazole","","","","","","","niridazole","","","","","","","","","","","","","","niridazole","[O-][N+](=O)c1cnc(s1)N2CCNC2=O","RDXLYGJSWZYTFJ-UHFFFAOYSA-N","6093",NA,"PDBC01471","","Present"
-"Ceforanide","","","","","","","ceforanide","","","","","","","","","","","","","","","NCc1ccccc1CC(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4CC(=O)O","SLAYUXIURFNXPG-CRAIPNDOSA-N","43507",TRUE,"PDBC01472","","Absent"
-"Piperine","","","","","","","piperine","","","","","","","","","","","","","","piperine","O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3","MXXWOMGUGJBKIW-YPCIICBESA-N","638024",NA,"PDBC01473","","Present"
-"Puromycin","","","","","","","puromycin","","","","","","","","","","","","","puromycin","puromycin","COc1ccc(CC(N)C(=O)N[C@@H]2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1","RXWNCPJZOCPEPQ-NVWDDTSBSA-N","439530",NA,"PDBC01474","3055","Present"
-"6-Azathymine","","","","","","","6-azathymine","","","","","","","","","","","","","","","Cc1n[nH]c(=O)[nH]c1=O","XZWMZFQOHTWGQE-UHFFFAOYSA-N","70269",NA,"PDBC01475","","Absent"
-"Benperidol","","","","","","","benperidol","","","","","","","","","","","","","","","Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34","FEBOTPHFXYHVPL-UHFFFAOYSA-N","16363",NA,"PDBC01476","","Absent"
-"Iobenguane","","","","","","","iobenguane","","","","","","","","","","","","","","iobenguane","NC(=N)NCc1cccc(I)c1","PDWUPXJEEYOOTR-UHFFFAOYSA-N","60860",TRUE,"PDBC01477","","Present"
-"Metixene","","","","","","","metixene","","","","","","","","","","","","Metixene hydrochloride","","","CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1","MJFJKKXQDNNUJF-UHFFFAOYSA-N","4167",NA,"PDBC01478","","Absent"
-"Tiaprofenic acid","","","","","","","tiaprofenic acid","","","","","","","","","","","","","","","CC(C(=O)O)c1ccc(s1)C(=O)c2ccccc2","GUHPRPJDBZHYCJ-UHFFFAOYSA-N","5468",NA,"PDBC01479","","Absent"
-"Etifenin","","","","","","","etifenin","","","","","","","","","","","","","","","CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O","WNIDXAKKFOKNEF-UHFFFAOYSA-N","170344",NA,"PDBC01480","","Absent"
-"Norcyclobenzaprine","","","","","","","norcyclobenzaprine","","","","","","","","","","","","","","","CNCCC=C1c2ccccc2C=Cc3ccccc13","XECQQDXTQRYYBH-UHFFFAOYSA-N","9918",NA,"PDBC01481","","Absent"
-"Imipenem","","","","","","","imipenem","","","","","","","","","","","","","imipenem (usan)","","C[C@@H](O)[C@H]1[C@@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N","ZSKVGTPCRGIANV-ZXFLCMHBSA-N","104838",TRUE,"PDBC01482","759901","Present"
-"Glycocholic acid","","","","","","","glycocholic acid","","","","","","","","","","","","","","","C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","RFDAIACWWDREDC-FRVQLJSFSA-N","10140",NA,"PDBC01483","","Absent"
-"L-Methionine sulfoximine","","","","","","","L-methionine sulfoximine","","","","","","","","","","","","","","","C[S+](=N)([O-])CC[C@H](N)C(=O)O","SXTAYKAGBXMACB-DPVSGNNYSA-N","6992000",NA,"PDBC01484","","Absent"
-"Triflusal","","","","","","","triflusal","","","","","","","","","","","","","","","CC(=O)Oc1cc(ccc1C(=O)O)C(F)(F)F","RMWVZGDJPAKBDE-UHFFFAOYSA-N","9458",NA,"PDBC01485","","Absent"
-"Trolox","","","","","","","Trolox C","","","","","","","","","","","","","","trolox","Cc1c(C)c2OC(C)(CC(=O)O)CCc2c(C)c1O","GLEVLJDDWXEYCO-UHFFFAOYSA-N","40634",NA,"PDBC01486","","Present"
-"Pirenperone","","","","","","","pirenperone","","","","","","","","","","","","","","pirenperone","Cc1nc2ccccn2c(=O)c1CCN3CCC(CC3)C(=O)c4ccc(F)cc4","HXCNRYXBZNHDNE-UHFFFAOYSA-N","4847",NA,"PDBC01487","","Present"
-"salsolidin","","","","","","","salsolidin","","","","","","","","","","","","","","","COc1cc2CCNC(C)c2cc1OC","HMYJLVDKPJHJCF-UHFFFAOYSA-N","10302",NA,"PDBC01488","","Absent"
-"Phenacetin","","","","","","","phenacetin","","","","","","","","","","","","","","","CCOc1ccc(NC(=O)C)cc1","CPJSUEIXXCENMM-UHFFFAOYSA-N","4754",NA,"PDBC01489","","Absent"
-"Thiocolchicoside","","","","","","","thiocolchicoside","","","","","","","","","","","","","","thiocolchicoside","COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3CCC(NC(=O)C)c4cc(=O)c(SC)ccc4-c3c1OC","LEQAKWQJCITZNK-ASKLJRATSA-N","71752520",NA,"PDBC01490","","Present"
-"Clorsulon","","","","","","","clorsulon","","","","","","","","","","","","","","","Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N","QOVTVIYTBRHADL-UHFFFAOYSA-N","43231",NA,"PDBC01491","","Absent"
-"Pregnenolone","","","","","","","pregnenolone","","","","","","","","","","","","","","","CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C","ORNBQBCIOKFOEO-QGVNFLHTSA-N","8955",NA,"PDBC01492","","Absent"
-"Prestwick-559","","","","","","","Prestwick-559","","","","","","","","","","","","","","","COc1ccccc1N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2","","",NA,"PDBC01493","","Absent"
-"Prenylamine","","","","","","","prenylamine","","","","","","","","","","","","Prenylamine lactate","","","CC(Cc1ccccc1)NCCC(c2ccccc2)c3ccccc3","IFFPICMESYHZPQ-UHFFFAOYSA-N","9801",NA,"PDBC01494","","Absent"
-"Dihydroergocristine","","","","","","","dihydroergocristine","","","","","","","","","","","","","","dihydroergocristine","CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O","DEQITUUQPICUMR-HJPBWRTMSA-N","107715",NA,"PDBC01495","","Present"
-"Syrosingopine","","","","","","","syrosingopine","","","","","","","","","","","","","ipores","","CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC","ZCDNRPPFBQDQHR-SSYATKPKSA-N","6769",NA,"PDBC01496","77030","Present"
-"Physostigmine","","","","","","","physostigmine","","","","","","","","","","","","","","","CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1","PIJVFDBKTWXHHD-HIFRSBDPSA-N","5983",NA,"PDBC01497","","Absent"
-"Aconitine","","","","","","","aconitine","","","","","","","","","","","","","Aconitine","","CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4C1[C@@]3(C5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)C5[C@]4(OC(=O)C)[C@@H](O)[C@@H]6OC)C(C[C@H]2O)OC","XFSBVAOIAHNAPC-XTHSEXKGSA-N","245005",NA,"PDBC01498","56464","Present"
-"co-dergocrine mesilate","","","","","","","co-dergocrine mesilate","","","","","","","","","","","","","","","CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](C)N6C1=O","PBKVEOSEPXMKDN-LZHUFOCISA-N","71717894",NA,"PDBC01499","","Absent"
-"Emetine","","","","","","","emetine","","","","","","","","","","","","","emetine","emetine","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC4NCCc5cc(OC)c(OC)cc45","AUVVAXYIELKVAI-CKBKHPSWSA-N","10219",NA,"PDBC01500","756754///33669","Present"
-"Tomatidine","","","","","","","tomatidine","","","","","","","","","","","","","","","C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]61CC[C@H](C)CN6","XYNPYHXGMWJBLV-VXPJTDKGSA-N","65576",NA,"PDBC01501","","Absent"
-"Rauwolscine","","","","","","","alpha-yohimbine","","","","","","","","","","","","","","","COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12","BLGXFZZNTVWLAY-DIRVCLHFSA-N","643606",NA,"PDBC01502","","Absent"
-"Corynanthine","","","","","","","corynanthine","","","","","","","","","","","","","","","COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12","BLGXFZZNTVWLAY-DKJBZYCGSA-N","92766",NA,"PDBC01503","","Absent"
-"Palmatine","","","","","","","palmatine","","","","","","","","","","","","","Palmatine chloride","palmatine-chloride","COc1ccc2cc3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC","QUCQEUCGKKTEBI-UHFFFAOYSA-N","19009",NA,"PDBC01504","209407","Present"
-"Trimethylcolchicinic acid","","","","","","","trimethylcolchicinic acid","","","","","","","","","","","","","","","COc1cc2CC[C@H](N)c3cc(=O)c(O)ccc3-c2c(OC)c1OC","IRVWPZRYDQROLU-ZDUSSCGKSA-N","28248405",NA,"PDBC01505","","Absent"
-"Hydrastine hydrochloride","","","","","","","hydrastine hydrochloride","","","","","","","","","","","","","","","COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34","URBFHJWLYXILMP-VOMIJIAVSA-N","197834",NA,"PDBC01506","","Absent"
-"Lobelanidine","","","","","","","lobelanidine","","","","","","","","","","","","","","","CN1C(CC(O)c2ccccc2)CCCC1CC(O)c3ccccc3","OWGJQNXIWMMDTH-UHFFFAOYSA-N","96946",NA,"PDBC01507","","Absent"
-"Chelidonine","","","","","","","(+)-chelidonine","","","","","","","","","","","","","chelidonine","","CN1Cc2c3OCOc3ccc2C4C(O)Cc5cc6OCOc6cc5C41","GHKISGDRQRSCII-ZOCIIQOWSA-N","197810",NA,"PDBC01508","406034","Present"
-"Bicuculline","","","","","","","bicuculline","","","","","","","","","","","","","","","CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45","IYGYMKDQCDOMRE-ZWKOTPCHSA-N","10237",NA,"PDBC01509","","Absent"
-"Yohimbic Acid","","","","","","","yohimbic acid","","","","","","","","","","","","","","","O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)O","AADVZSXPNRLYLV-GKMXPDSGSA-N","72131",NA,"PDBC01510","","Absent"
-"Laudanosine","","","","","","","laudanosine","","","","","","","","","","","","","","","COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC","KGPAYJZAMGEDIQ-UHFFFAOYSA-N","15548",NA,"PDBC01511","","Absent"
-"Ajmalicine","","","","","","","raubasine","","","","","","","","","","","","","","","","GRTOGORTSDXSFK-XJTZBENFSA-N","441975",NA,"PDBC01512","","Absent"
-"Tetrahydroalstonine","","","","","","","tetrahydroalstonine","","","","","","","","","","","","","tetrahydroalstonine","","","GRTOGORTSDXSFK-UHFFFAOYSA-N","72340",NA,"PDBC01513","72115","Present"
-"Unii-F62N8qpr7V","","","","","","","calycanthine","","","","","","","","","","","","","CALYCANTHINE","","CN1CC[C@]23[C@@H]4Nc5ccccc5[C@]3(CCN4C)[C@@H]1Nc6ccccc62","XSYCDVWYEVUDKQ-UHFFFAOYSA-N","264115",NA,"PDBC01514","99016","Present"
-"Convolamine","","","","","","","convolamine","","","","","","","","","","","","","","","COc1ccc(cc1OC)C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C","AEFPCFUCFQBXDQ-UHFFFAOYSA-N","420422",NA,"PDBC01515","","Absent"
-"Isocorydine","","","","","","","isocorydine","","","","","","","","","","","","","","","","QELDJEKNFOQJOY-ZDUSSCGKSA-N","10143",NA,"PDBC01516","","Absent"
-"Seneciphylline","","","","","","","seneciphylline","","","","","","","","","","","","","Jacodine","","C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32","FCEVNJIUIMLVML-QPSVUOIXSA-N","5281750",NA,"PDBC01517","30622","Present"
-"Boldine","","","","","","","boldine","","","","","","","","","","","","","","","COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c2c34)cc1O","LZJRNLRASBVRRX-ZDUSSCGKSA-N","10154",NA,"PDBC01518","","Absent"
-"(S)-Scoulerine","","","","","","","scoulerine","","","","","","","","","","","","","","","COc1ccc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c1O","KNWVMRVOBAFFMH-UHFFFAOYSA-N","22955",NA,"PDBC01519","","Absent"
-"Monocrotaline","","","","","","","monocrotaline","","","","","","","","","","","","","","","C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23","QVCMHGGNRFRMAD-XFGHUUIASA-N","9415",NA,"PDBC01520","","Absent"
-"Hydrocotarnine","","","","","","","hydrocotarnine","","","","","","","","","","","","","","","COc1c2OCOc2cc3CCN(C)Cc13","XXANNZJIZQTCBP-UHFFFAOYSA-N","3646",NA,"PDBC01521","","Absent"
-"Cinchonidine","","","","","","","cinchonidine","","","","","","","","","","","","","cinchonidine","","C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O","KMPWYEUPVWOPIM-UHFFFAOYSA-N","2757",NA,"PDBC01522","5364","Present"
-"Vinburnine","","","","","","","vinburnine","","","","","","","","","","","","Eburnamonine (-)","(-)-Eburnamonine","","CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35","WYJAPUKIYAZSEM-MOPGFXCFSA-N","71203",NA,"PDBC01523","322920","Present"
-"L-Canavanine","","","","","","","canavanine","","","","","","","","","","","","","","","N[C@@H](CCONC(=N)N)C(=O)O","FSBIGDSBMBYOPN-VKHMYHEASA-N","439202",NA,"PDBC01524","","Absent"
-"Harmaline","","","","","","","harmaline","","","","","","","","","","","","","","","COc1ccc2c3CCN=C(C)c3[nH]c2c1","QJOZJXNKVMFAET-UHFFFAOYSA-N","5280951",NA,"PDBC01525","","Absent"
-"Harmalol","","","","","","","harmalol","","","","","","","","","","","","","","","CC1=NCCc2c1[nH]c3cc(O)ccc23","CRQDWQWZCNKKAC-UHFFFAOYSA-N","5353656",NA,"PDBC01526","","Absent"
-"Harmol","","","","","","","harmol","","","","","","","","","","","","","","","Cc1nccc2c3ccc(O)cc3[nH]c12","LBBJNGFCXDOYMQ-UHFFFAOYSA-N","68094",NA,"PDBC01527","","Absent"
-"Harmine","","","","","","","harmine","","","","","","","","","","","","","","","COc1ccc2c(c1)[nH]c3c(C)nccc23","BXNJHAXVSOCGBA-UHFFFAOYSA-N","5280953",NA,"PDBC01528","","Absent"
-"Ellipticine","","","","","","","ellipticine","","","","","","","","","","","","","ELLIPTICINE///ellipticine","","Cc1c2[nH]c3ccccc3c2c(C)c4cnccc14","CTSPAMFJBXKSOY-UHFFFAOYSA-N","3213",NA,"PDBC01529","71795///637651///627505","Present"
-"1,4-chrysenequinone","","","","","","","1,4-chrysenequinone","","","","","","","","","","","","","","","O=C1C=CC(=O)c2c1ccc3c2ccc4ccccc43","UORKIKBNUWJNJF-UHFFFAOYSA-N","180933",NA,"PDBC01530","","Absent"
-"Quipazine","","","","","","","quipazine","","","","","","","","","","","","","","","C1CN(CCN1)c2ccc3ccccc3n2","XRXDAJYKGWNHTQ-UHFFFAOYSA-N","5011",NA,"PDBC01531","","Absent"
-"Sparteine","","","","","","","sparteine","","","","","","","","","","","","","","","C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1","SLRCCWJSBJZJBV-ZQDZILKHSA-N","644020",NA,"PDBC01532","","Absent"
-"Harman","","","","","","","harman","","","","","","","","","","","","","","","Cc1nccc2c3ccccc3[nH]c12","PSFDQSOCUJVVGF-UHFFFAOYSA-N","5281404",NA,"PDBC01533","","Absent"
-"Stachydrine","","","","","","","stachydrine","","","","","","","","","","","","","Stachydrine","","C[N+]1(C)CCC[C@H]1C(=O)O","CMUNUTVVOOHQPW-LURJTMIESA-N","115244",NA,"PDBC01534","655263","Present"
-"Cytisine","","","","","","","cytisine","","","","","","","","","","","","","CYTISINE///tabex","","O=c1cccc2C3CNC[C@@H](C3)Cn21","ANJTVLIZGCUXLD-DTWKUNHWSA-N","10235",NA,"PDBC01535","685524///407282","Present"
-"pseudopelletierine","","","","","","","pseudopelletierine","","","","","","","","","","","","","","","CN1C2CCCC1CC(=O)C2","RHWSKVCZXBAWLZ-UHFFFAOYSA-N","11096",NA,"PDBC01536","","Absent"
-"Salsolinol","","","","","","","salsolinol","","","","","","","","","","","","","","","C[C@@H]1NCCc2cc(O)c(O)cc12","IBRKLUSXDYATLG-LURJTMIESA-N","91588",NA,"PDBC01537","","Absent"
-"Gramine","","","","","","","gramine","","","","","","","","","","","","","","","CN(C)Cc1c[nH]c2ccccc12","OCDGBSUVYYVKQZ-UHFFFAOYSA-N","6890",NA,"PDBC01538","","Absent"
-"Dimethisoquin","","","","","","","quinisocaine","","","","","","","","","","","","","","dimethisoquin","CCCCc1cc2ccccc2c(OCCN(C)C)n1","XNMYNYSCEJBRPZ-UHFFFAOYSA-N","6857",NA,"PDBC01539","","Present"
-"Thiamine","","","","","","","thiamine","","","","","","","","","","","","","","thiamine","Cc1c(CCO)sc[n+]1Cc2cnc(C)nc2N","MYVIATVLJGTBFV-UHFFFAOYSA-M","23423984",TRUE,"PDBC01540","","Present"
-"Thiorphan","","","","","","","DL-thiorphan","","","","","","","","","","","","","DL-Thiorphan","","OC(=O)CNC(=O)C(CS)Cc1ccccc1","LJJKNPQAGWVLDQ-UHFFFAOYSA-N","3132",NA,"PDBC01541","727676","Present"
-"Dihydroquinine","","","","","","","hydroquinine","","","","","","","","","","","","","","","CC[C@H]1CN2CCC1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34","LJOQGZACKSYWCH-WZBLMQSHSA-N","121515",NA,"PDBC01542","","Absent"
-"Epivincamine","","","","","","","epivincamine","","","","","","","","","","","","","","","CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O","RXPRRQLKFXBCSJ-UHFFFAOYSA-N","637570",NA,"PDBC01543","","Absent"
-"Retrorsine","","","","","","","retrorsine","","","","","","","","","","","","","","","C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32","BCJMNZRQJAVDLD-CQRYIUNCSA-N","5281743",NA,"PDBC01544","","Absent"
-"Conessine","","","","","","","conessine///Prestwick-692","","","","","","","","","","","","","","","C[C@H]1[C@H]2CCC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23CN1C)N(C)C","GPLGAQQQNWMVMM-MYAJQUOBSA-N","441082",NA,"PDBC01545","","Absent"
-"Protoveratrine A","","","","","","","protoveratrine A","","","","","","","","","","","","","","","CCC(C)C(=O)O[C@H]1[C@H](O)C2C(CN3CC(C)CCC3[C@@]2(C)O)C4C[C@]5(O[C@@]6(O)C7[C@@H](OC(=O)C)[C@@H](OC(=O)C)C5[C@@]41O)[C@@]7(C)CCC6OC(=O)C(C)(O)CC","HYTGGNIMZXFORS-MGYKWWNKSA-N","8931",NA,"PDBC01546","","Absent"
-"Solanine","","","","","","","solanine","","","","","","","","","","","","","solanine","","C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]6(C[C@@H](O[C@@H]7OC(CO)[C@@H](O)[C@@H](O)C7O)[C@@H](O)C(CO)O6)O[C@H]8OC(C)[C@H](O)[C@H](O)C8O)N9C[C@@H](C)CC[C@H]19","ZGVSETXHNHBTRK-UDJLNJFBSA-N","9549171",NA,"PDBC01547","96019","Present"
-"Helveticoside","","","","","","","helveticoside","","","","","","","","","","","","","","","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)OC2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6","QBILRDAMJUPXCX-AGAUEGNUSA-N","441860",NA,"PDBC01548","","Absent"
-"Myosmine","","","","","","","myosmine","","","","","","","","","","","","","","","C1CN=C(C1)c2cccnc2","DPNGWXJMIILTBS-UHFFFAOYSA-N","442649",NA,"PDBC01549","","Absent"
-"Betonicine","","","","","","","betonicine","","","","","","","","","","","","","","","C[N+]1(C)C[C@@H](O)C[C@H]1C(=O)O","MUNWAHDYFVYIKH-RITPCOANSA-N","164642",NA,"PDBC01550","","Absent"
-"Etanidazole","","","","","","","etanidazole","","","","","","","","","","","","","ETANIDAZOLE","","OCCNC(=O)Cn1ccnc1[N+](=O)[O-]","WCDWBPCFGJXFJZ-UHFFFAOYSA-N","3276",NA,"PDBC01551","301467","Present"
-"Picrotoxinin","","","","","","","picrotoxinin","","","","","","","","","","","","","","","CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@@]53C","PIMZUZSSNYHVCU-YKWPQBAZSA-N","442292",NA,"PDBC01552","","Absent"
-"Lanatoside C","","","","","","","lanatoside C","","","","","","","","","","","","","LANATOSIDE C","lanatoside-c","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)C(CCC7C6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5","JAYAGJDXJIDEKI-PTGWOZRBSA-N","656630",NA,"PDBC01553","759630","Present"
-"Benzamil","","","","","","","benzamil","","","","","","","","","","","","Dichlorbenzamil","","","Nc1nc(N)c(nc1Cl)C(=O)NC(=N)NCc2ccccc2","KXDROGADUISDGY-UHFFFAOYSA-N","108107",NA,"PDBC01554","","Absent"
-"Kinetin","","","","","","","kinetin","","","","","","","","","","","","","","","C(Nc1ncnc2[nH]cnc12)c3ccco3","QANMHLXAZMSUEX-UHFFFAOYSA-N","3830",NA,"PDBC01555","","Absent"
-"abamectin","","","","","","","abamectin","","","","","","","","","","","","","","","CCC1OC2(C[C@@H]3CC(C/C=C(/C)\C(O[C@@H]4C[C@@H](C)C(O[C@H]5C[C@H](OC)C(O)[C@H](C)O5)[C@H](C4)OC)C(C)\C=C/C=C\6/COC7C6[C@@H](C=C(C)[C@H]7O)C(=O)O3)O2)C=CC1C","RRZXIRBKKLTSOM-XPNPUAGNSA-N","6434889",NA,"PDBC01556","","Absent"
-"Vitexin","","","","","","","vitexin","","","","","","","","","","","","","","","OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)cc4","SGEWCQFRYRRZDC-VPRICQMDSA-N","5280441",NA,"PDBC01557","","Absent"
-"Gelsemin","","","","","","","gelsemine","","","","","","","","","","","","","Gelsemin","","CN1C[C@@]2(C=C)C3CC4OC[C@@H]3[C@@H]1[C@H]2[C@@]45C(=O)Nc6ccccc65","NFYYATWFXNPTRM-UHFFFAOYSA-N","279057",NA,"PDBC01558","21729","Present"
-"Solasodine","","","","","","","solasodine","","","","","","","","","","","","","","","C[C@H]1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)O[C@@]61CCC(C)CN6","KWVISVAMQJWJSZ-VKROHFNGSA-N","442985",NA,"PDBC01559","","Absent"
-"Prestwick-664","","","","","","","Prestwick-664","","","","","","","","","","","","","","","CCN1C[C@]2(COC)CC[C@H](OC)[C@]3(C4C[C@H]5[C@H](OC)C4C6(C[C@@H]5OC)OCO[C@@]76[C@@H](O)C32)[C@@H]17","","",NA,"PDBC01560","","Absent"
-"2,6-dimethylpiperidine","","","","","","","2,6-dimethylpiperidine","","","","","","","","","","","","","","","C[C@H]1CCC[C@@H](C)N1","SDGKUVSVPIIUCF-UHFFFAOYSA-N","68843",NA,"PDBC01561","","Absent"
-"Foliosidine","","","","","","","foliosidine","","","","","","","","","","","","","","","COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12","IUPYLWAXGAJZQC-UHFFFAOYSA-N","2837663",NA,"PDBC01562","","Absent"
-"Skimmianine","","","","","","","skimmianine","","","","","","","","","","","","","","","COc1ccc2c(OC)c3ccoc3nc2c1OC","SLSIBLKBHNKZTB-UHFFFAOYSA-N","6760",NA,"PDBC01563","","Absent"
-"Anabasine","","","","","","","anabasine","","","","","","","","","","","","","","","C1CCC(NC1)c2cccnc2","MTXSIJUGVMTTMU-UHFFFAOYSA-N","2181",NA,"PDBC01564","","Absent"
-"Tetrandrine","","","","","","","tetrandrine","","","","","","","","","","","","Tetrandrine","DL-Tetrandine///tetrandrin","tetrandrine","COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)cc5)c4","WVTKBKWTSCPRNU-KYJUHHDHSA-N","73078",NA,"PDBC01565","91771///77037","Present"
-"Canadine","","","","","","","canadine","","","","","","","","","","","","","dl-canadine///canadin","","COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC","VZTUIEROBZXUFA-UHFFFAOYSA-N","34458",NA,"PDBC01566","36351///94918","Present"
-"Deltamine 6-acetate","","","","","","","eldeline","","","","","","","","","","","","","","","CCN1C[C@]2(C)CC[C@H](OC)[C@@]34C2[C@H](OC(=O)C)C5(OCO[C@]65C[C@H](OC)C7C[C@]4(O)C6[C@H]7OC)[C@@H]13","DTTPWCNKTMQMTE-DZZCPBQSSA-N","441728",NA,"PDBC01567","","Absent"
-"Prestwick-674","","","","","","","Prestwick-674","","","","","","","","","","","","","","","Cn1c(cc(=O)c2ccccc12)c3ccc4OCOc4c3","","",NA,"PDBC01568","","Absent"
-"Prestwick-675","","","","","","","Prestwick-675","","","","","","","","","","","","","","","CN1CCC2=C[C@@H](O)[C@@H]3OC(=O)c4cc5OCOc5cc4C3[C@@H]12","","",NA,"PDBC01569","","Absent"
-"Ricinine","","","","","","","ricinine","","","","","","","","","","","","","","","COc1ccn(C)c(=O)c1C#N","PETSAYFQSGAEQY-UHFFFAOYSA-N","10666",NA,"PDBC01570","","Absent"
-"Delsoline","","","","","","","delsoline","","","","","","","","","","","","","","","CCN1C[C@]2(COC)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](OC)[C@@H]4[C@](O)(C[C@@H]5OC)[C@@]6(O)[C@@H](OC)[C@@H]32)C16","JVBLTQQBEQQLEV-YAEAOFIFSA-N","441727",NA,"PDBC01571","","Absent"
-"C-Fluorocurarine","","","","","","","fluorocurarine","","","","","","","","","","","","","","","C/C=C\1/C[N@@+]2(C)CCC34[C@@H]2C[C@@H]1C(=C4Nc5ccccc53)C=O","ZEMNDQUOMWGCAZ-CVPVZSHVSA-O","201810",NA,"PDBC01572","","Absent"
-"Austricin","","","","","","","hydroxyachillin","","","","","","","","","","","","","","","C[C@H]1[C@H]2[C@H](OC1=O)[C@H]3C(=CC(=O)C3=C(C)C[C@@H]2O)C","YMUOZXZDDBRJEP-UHFFFAOYSA-N","99114",NA,"PDBC01573","","Absent"
-"Pempidine","","","","","","","pempidine","","","","","","","","","","","","","","","CN1C(C)(C)CCCC1(C)C.OC(C(O)C(=O)O)C(=O)O","XULIXFLCVXWHRF-UHFFFAOYSA-N","6603",NA,"PDBC01574","","Absent"
-"Heliotrine","","","","","","","heliotrine","","","","","","","","","","","","","Heliotrine","","CO[C@H](C)C(O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@H]21","LMFKRLGHEKVMNT-UJDVCPFMSA-N","906426",NA,"PDBC01575","30620","Present"
-"Karacoline","","","","","","","karakoline","","","","","","","","","","","","","","","CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5C(O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@H]6C[C@@H]32)C61","HKQZUYOVMYOFIT-VHNBHZRZSA-N","441742",NA,"PDBC01576","","Absent"
-"Napelline","","","","","","","napelline","","","","","","","","","","","","","","","CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]2C[C@H]4C13)[C@@H]5C[C@H](O)[C@H]6C[C@]45[C@H](O)C6=C","","16394550",NA,"PDBC01577","","Absent"
-"Prestwick-691","","","","","","","Prestwick-691","","","","","","","","","","","","","","","COc1cc(ccc1O)C(=O)OC2CC3CCC(C2)N3C","","",NA,"PDBC01578","","Absent"
-"Promazine","","","","","","","promazine","","","","","","","","","","","","","","","CN(C)CCCN1c2ccccc2Sc3ccccc13","ZGUGWUXLJSTTMA-UHFFFAOYSA-N","4926",TRUE,"PDBC01579","","Absent"
-"Etiocholanolone","","","","","","","etiocholanolone","","","","","","","","","","","","","","","C[C@@]12CCC3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CCC1=O","QGXBDMJGAMFCBF-BNSUEQOYSA-N","5880",NA,"PDBC01580","","Absent"
-"Dihydrodiethylstilbestrol","","","","","","","hexestrol","","","","","","","","","","","","","","","CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2","PBBGSZCBWVPOOL-UHFFFAOYSA-N","3606",NA,"PDBC01581","","Absent"
-"Trihexyphenidyl","","","","","","","trihexyphenidyl","","","","","","","","","","","","","","","OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3","HWHLPVGTWGOCJO-UHFFFAOYSA-N","5572",TRUE,"PDBC01582","","Absent"
-"Succinylsulfathiazole","","","","","","","succinylsulfathiazole","","","","","","","","","","","","","","","OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2","SKVLYVHULOWXTD-UHFFFAOYSA-N","5315",NA,"PDBC01583","","Absent"
-"Methylbenzethonium chloride","","","","","","","methylbenzethonium chloride","","","","","","","","","","","","","methylbenzethonium chloride (usan)","","Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C","QWZLBLDNRUUYQI-UHFFFAOYSA-M","5702238",NA,"PDBC01584","758427","Present"
-"Chlorcyclizine","","","","","","","chlorcyclizine","","","","","","","","","","","","","","","CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3","WFNAKBGANONZEQ-UHFFFAOYSA-N","2710",NA,"PDBC01585","","Absent"
-"Strophanthidin","","","","","","","strophanthidin","","","","","","","","","","","","","cynotoxin","k-strophanthidin","C[C@@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]2(O)CCC1C5=CC(=O)OC5","ODJLBQGVINUMMR-HZXDTFASSA-N","6185",NA,"PDBC01586","86078","Present"
-"Sulfabenzamide","","","","","","","sulfabenzamide","","","","","","","","","","","","","","sulfabenzamide","Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2","PBCZLFBEBARBBI-UHFFFAOYSA-N","5319",TRUE,"PDBC01587","","Present"
-"Dipyrone","","","","","","","metamizole sodium","","","","","","","","","","","","Dipyrone","","","CN(CS(=O)(=O)O)c1c(C)n(C)n(c2ccccc2)c1=O","DJGAAPFSPWAYTJ-UHFFFAOYSA-M","522325",NA,"PDBC01588","","Absent"
-"Althiazide","","","","","","","altizide","","","","","","","","","","","","","","","NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl","VGLGVJVUHYTIIU-UHFFFAOYSA-N","2122",NA,"PDBC01589","","Absent"
-"Ramifenazone","","","","","","","ramifenazone","","","","","","","","","","","","Isopyrin hydrochloride","","ramifenazone","CC(C)Nc1c(C)n(C)n(c2ccccc2)c1=O","XOZLRRYPUKAKMU-UHFFFAOYSA-N","5037",NA,"PDBC01590","","Present"
-"Sulfamethoxypyridazine","","","","","","","sulfamethoxypyridazine","","","","","","","","","","","","","","","COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","VLYWMPOKSSWJAL-UHFFFAOYSA-N","5330",NA,"PDBC01591","","Absent"
-"alpha-Ergocryptine","","","","","","","alpha-ergocryptine","","","","","","","","","","","","","","","CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C","YDOTUXAWKBPQJW-NSLWYYNWSA-N","134551",NA,"PDBC01592","","Absent"
-"Hecogenin","","","","","","","hecogenin","","","","","","","","","","","","","","","CC1C2C(CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC(=O)[C@]23C)OC61CCC(C)CO6","QOLRLLFJMZLYQJ-LOBDNJQFSA-N","91453",NA,"PDBC01593","","Absent"
-"Potassium atractylate","","","","","","","atractyloside","","","","","","","","","","","","","","","CC(C)CC(=O)OC1C(O[C@@H]2C[C@H]([C@H]3CC[C@]4(C[C@@H]5CC[C@H]4[C@]3(C)C2)[C@@H](O)C5=C)C(=O)O)OC(CO)C(OS(=O)(=O)O)C1OS(=O)(=O)O","IUCNQFHEWLYECJ-UAPRPQGYSA-L","5702200",NA,"PDBC01594","","Absent"
-"Nadide","","","","","","","nadide","","","","","","","","","","","","","","nadide","NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O","BAWFJGJZGIEFAR-NNYOXOHSSA-N","10897651",NA,"PDBC01595","","Present"
-"mevalolactone","","","","","","","mevalolactone","","","","","","","","","","","","","","","C[C@@]1(O)CCOC(=O)C1","JYVXNLLUYHCIIH-UHFFFAOYSA-N","10428",NA,"PDBC01596","","Absent"
-"Ribostamycin","","","","","","","ribostamycin","","","","","","","","","","","","","","","NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)C2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O","NSKGQURZWSPSBC-VVPCINPTSA-N","33042",NA,"PDBC01597","","Absent"
-"Pipenzolate bromide","","","","","","","pipenzolate bromide","","","","","","","","","","","","","","","CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3","XEDCWWFPZMHXCM-UHFFFAOYSA-M","657306",NA,"PDBC01598","","Absent"
-"Ethoxyquin","","","","","","","ethoxyquin","","","","","","","","","","","","","","","CCOc1ccc2NC(C)(C)C=C(C)c2c1","DECIPOUIJURFOJ-UHFFFAOYSA-N","3293",NA,"PDBC01599","","Absent"
-"Alexidine","","","","","","","alexidine","","","","","","","","","","","","","","alexidine","CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC","LFVVNPBBFUSSHL-UHFFFAOYSA-N","2090",NA,"PDBC01600","","Present"
-"Proadifen","","","","","","","proadifen","","","","","","","","","","","","","","","CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2","SNTQPLDRUZOSDP-UHFFFAOYSA-N","4910",NA,"PDBC01601","","Absent"
-"Zomepirac","","","","","","","zomepirac","","","","","","","","","","","","","","","Cc1cc(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2","ZXVNMYWKKDOREA-UHFFFAOYSA-N","5733",NA,"PDBC01602","","Absent"
-"merbromin","","","","","","","merbromin","","","","","","","","","","","","","","","O[Hg]c1c(O)c(Br)cc2c(c3ccccc3C(=O)O)c4cc(Br)c(=O)cc4oc12","KQSRXDXJGUJRKE-UHFFFAOYSA-L","11947673",NA,"PDBC01603","","Absent"
-"Eucatropine","","","","","","","eucatropine","","","","","","","","","","","","","","","CC1C(CCC(C)(C)N1C)OC(=O)C(O)c2ccccc2","QSAVEGSLJISCDF-UHFFFAOYSA-N","7534",NA,"PDBC01604","","Absent"
-"Lithocholic acid","","","","","","","lithocholic acid","","","","","","","","","","","","","Lithocholic acid","","C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","SMEROWZSTRWXGI-HVATVPOCSA-N","9903",NA,"PDBC01605","683770","Present"
-"Piromidic acid","","","","","","","piromidic acid","","","","","","","","","","","","","","","CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCCC3","RCIMBBZXSXFZBV-UHFFFAOYSA-N","4855",NA,"PDBC01606","","Absent"
-"Chloropyramine","","","","","","","chloropyramine","","","","","","","","","","","","","","chloropyramine","CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2","ICKFFNBDFNZJSX-UHFFFAOYSA-N","25295",NA,"PDBC01607","","Present"
-"Bergenin","","","","","","","bergenin","","","","","","","","","","","","","Bergenin","","COc1c(O)cc2C(=O)O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3c2c1O","YWJXCIXBAKGUKZ-HJJNZUOJSA-N","66065",NA,"PDBC01608","661749","Present"
-"(+/-)-catechin","","","","","","","(+/-)-catechin","","","","","","","","","","","","","","","O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3","PFTAWBLQPZVEMU-DZGCQCFKSA-N","",NA,"PDBC01609","","Absent"
-"Lasalocid","","","","","","","lasalocid","","","","","","","","","","","","","lasalocid","lasalocid","CC[C@H](C1O[C@@](CC)(C[C@@H]1C)C2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)O","BBMULGJBVDDDNI-OWKLGTHSSA-N","5360807",NA,"PDBC01610","243046","Present"
-"Dimethadione","","","","","","","dimethadione","","","","","","","","","","","","","","","CC1(C)OC(=O)NC1=O","JYJFNDQBESEHJQ-UHFFFAOYSA-N","3081",NA,"PDBC01611","","Absent"
-"Ethaverine","","","","","","","ethaverine","","","","","","","","","","","","","","","CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC","ZOWYFYXTIWQBEP-UHFFFAOYSA-N","3280",NA,"PDBC01612","","Absent"
-"Butacaine","","","","","","","butacaine///Prestwick-984","","","","","","","","","","","","","","","CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1","HQFWVSGBVLEQGA-UHFFFAOYSA-N","2480",NA,"PDBC01613","","Absent"
-"Tetroquinone","","","","","","","tetroquinone","","","","","","","","","","","","","","","OC1=C(O)C(=O)C(=C(O)C1=O)O","DGQOCLATAPFASR-UHFFFAOYSA-N","5424",NA,"PDBC01614","","Absent"
-"Securinine","","","","","","","securinine","","","","","","","","","","","","","","securinine","O=C1OC2(C[C@H]3C=CC2=C1)[C@H]4CCCCN34","SWZMSZQQJRKFBP-WZRBSPASSA-N","442872",NA,"PDBC01615","","Present"
-"Iodixanol","","","","","","","iodixanol","","","","","","","","","","","","","","","CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I)c2c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c2I","NBQNWMBBSKPBAY-UHFFFAOYSA-N","3724",TRUE,"PDBC01616","","Absent"
-"Prestwick-857","","","","","","","Prestwick-857","","","","","","","","","","","","","","","CC(C)(C)NC[C@@H](O)COc1cccc2C(=O)CCCc12","","",NA,"PDBC01617","","Absent"
-"Prestwick-860","","","","","","","Prestwick-860","","","","","","","","","","","","","","","C[C@@H]1NC(=O)NC1=O","","",NA,"PDBC01618","","Absent"
-"Prestwick-864","","","","","","","Prestwick-864","","","","","","","","","","","","","","","C[C@H]1NC(=O)NC1=O","","",NA,"PDBC01619","","Absent"
-"Phthalylsulfathiazole","","","","","","","phthalylsulfathiazole","","","","","","","","","","","","","","","OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3","PBMSWVPMRUJMPE-UHFFFAOYSA-N","4806",NA,"PDBC01620","","Absent"
-"Luteolin","","","","","","","luteolin","","","","","","","","","","","","","","","Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3","IQPNAANSBPBGFQ-UHFFFAOYSA-N","5280445",NA,"PDBC01621","","Absent"
-"Arcaine","","","","","","","arcaine","","","","","","","","","","","","","","","NC(=N)NCCCCNC(=N)N","HGMDNMBBCKDWTQ-UHFFFAOYSA-N","2227",TRUE,"PDBC01622","","Absent"
-"Digoxigenin","","","","","","","digoxigenin","","","","","","","","","","","","","","digoxigenin","C[C@]12[C@H](CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H]1O)C5=CC(=O)OC5","SHIBSTMRCDJXLN-KCZCNTNESA-N","15478",NA,"PDBC01623","","Present"
-"3-acetylcoumarin","","","","","","","3-acetylcoumarin","","","","","","","","","","","","","Coumarin, 3-acetyl-","","CC(=O)c1cc2ccccc2oc1=O","CSPIFKKOBWYOEX-UHFFFAOYSA-N","77553",NA,"PDBC01624","31678","Present"
-"Butyl salicylate","","","","","","","butyl hydroxybenzoate","","","","","","","","","","","","","","","CCCCOC(=O)c1ccc(O)cc1","YFDUWSBGVPBWKF-UHFFFAOYSA-N","16330",NA,"PDBC01625","","Absent"
-"Pipemidic acid","","","","","","","pipemidic acid","","","","","","","","","","","","","","","CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCNCC3","JOHZPMXAZQZXHR-UHFFFAOYSA-N","4831",NA,"PDBC01626","","Absent"
-"Dioxybenzone","","","","","","","dioxybenzone","","","","","","","","","","","","","","","COc1cccc(C(=O)c2ccccc2O)c1O","MEZZCSHVIGVWFI-UHFFFAOYSA-N","8569",NA,"PDBC01627","","Absent"
-"Adrenosterone","","","","","","","adrenosterone","","","","","","","","","","","","","","","C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CCC1=O","RZRPTBIGEANTGU-IRIMSJTPSA-N","223997",NA,"PDBC01628","","Absent"
-"Methylatropine nitrate","","","","","","","atropine methonitrate","","","","","","","","","","","","","","","C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","NEDVJZNVOSNSHF-UHFFFAOYSA-N","5860",NA,"PDBC01629","","Absent"
-"Urapidil","","","","","","","urapidil","","","","","","","","","","","","","","","COc1ccccc1N2CCN(CCCNc3cc(=O)n(C)c(=O)n3C)CC2","ICMGLRUYEQNHPF-UHFFFAOYSA-N","5639",NA,"PDBC01630","","Absent"
-"Isoproterenol","","","","","","","(+)-isoprenaline","","","","","","","","","","","","","","","CC(C)NCC(O)c1ccc(O)c(O)c1.OC(C(O)C(=O)O)C(=O)O","JWZZKOKVBUJMES-UHFFFAOYSA-N","3779",NA,"PDBC01631","","Absent"
-"2-Aminobenzenesulfonamide","","","","","","","2-aminobenzenesulfonamide","","","","","","","","","","","","","","","Nc1ccccc1S(=O)(=O)N","YAZSBRQTAHVVGE-UHFFFAOYSA-N","72894",NA,"PDBC01632","","Absent"
-"Lorglumide","","","","","","","lorglumide","","","","","","","","","","","","","","","CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1","IEKOTSCYBBDIJC-UHFFFAOYSA-N","3960",NA,"PDBC01633","","Absent"
-"Prestwick-920","","","","","","","Prestwick-920","","","","","","","","","","","","","","","OC1CCCCC1N2CCC(CC2)c3ccccc3","","",NA,"PDBC01634","","Absent"
-"Thioperamide","","","","","","","thioperamide","","","","","","","","","","","","","","","S=C(NC1CCCCC1)N2CCC(CC2)c3cnc[nH]3","QKDDJDBFONZGBW-UHFFFAOYSA-N","3035905",NA,"PDBC01635","","Absent"
-"Xamoterol","","","","","","","xamoterol","","","","","","","","","","","","","","","OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2","DXPOSRCHIDYWHW-UHFFFAOYSA-N","155774",NA,"PDBC01636","","Absent"
-"Idazoxan","","","","","","","idazoxan","","","","","","","","","","","","","","idazoxan","C1CN=C(N1)[C@H]2COc3ccccc3O2","HPMRFMKYPGXPEP-UHFFFAOYSA-N","54459",NA,"PDBC01637","","Present"
-"Eticlopride","","","","","","","eticlopride","","","","","","","","","","","","","","","CCN1CCC[C@H]1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC","AADCDMQTJNYOSS-LBPRGKRZSA-N","57267",NA,"PDBC01638","","Absent"
-"Esculetin","","","","","","","esculetin","","","","","","","","","","","","","esculetin","","Oc1cc2ccc(=O)oc2cc1O","ILEDWLMCKZNDJK-UHFFFAOYSA-N","5281416",NA,"PDBC01639","26428","Present"
-"Pentetic acid","","","","","","","pentetic acid","","","","","","","","","","","","","pentetic acid (usan)","","OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O","QPCDCPDFJACHGM-UHFFFAOYSA-N","3053",NA,"PDBC01640","759314","Present"
-"Octopamine","","","","","","","octopamine","","","","","","","","","","","","","","octopamine","NCC(O)c1ccc(O)cc1","QHGUCRYDKWKLMG-UHFFFAOYSA-N","4581",NA,"PDBC01641","","Present"
-"Nipecotic acid","","","","","","","nipecotic acid","","","","","","","","","","","","","","","OC(=O)C1CCCNC1","XJLSEXAGTJCILF-UHFFFAOYSA-N","4498",NA,"PDBC01642","","Absent"
-"Esatenolol","","","","","","","(-)-atenolol///R-atenolol","","","","","","","","","","","","","","atenolol-(-)","CC(C)NC[C@@H](O)COc1ccc(CC(=O)N)cc1","METKIMKYRPQLGS-LBPRGKRZSA-N","175540",TRUE,"PDBC01643","","Present"
-"tyloxapol","","","","","","","tyloxapol","","","","","","","","","","","","","","tyloxapol","CC(C)(C)CC(C)(C)c1ccc(OCOCCOCCO)c(Cc2cc(cc(Cc3cc(ccc3OCOCCOCCO)C(C)(C)CC(C)(C)C)c2OCOCCOCCO)C(C)(C)CC(C)(C)C)c1","DZGWFCGJZKJUFP-UHFFFAOYSA-N","5610",TRUE,"PDBC01644","","Present"
-"Florfenicol","","","","","","","florfenicol","","","","","","","","","","","","Florfenicol","","florfenicol","CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl","AYIRNRDRBQJXIF-NXEZZACHSA-N","114811",NA,"PDBC01645","","Present"
-"Denatonium benzoate","","","","","","","denatonium benzoate","","","","","","","","","","","","","","","CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2","VWTINHYPRWEBQY-UHFFFAOYSA-N","19518",NA,"PDBC01646","","Absent"
-"Scopoletin","","","","","","","scopoletin","","","","","","","","","","","","","scopoletin","","COc1cc2ccc(=O)oc2cc1O","RODXRVNMMDRFIK-UHFFFAOYSA-N","5280460",NA,"PDBC01647","405647","Present"
-"Enilconazole","","","","","","","enilconazole","","","","","","","","","","","","","","","Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1","PZBPKYOVPCNPJY-UHFFFAOYSA-N","37175",NA,"PDBC01648","","Absent"
-"Prestwick-967","","","","","","","Prestwick-967","","","","","","","","","","","","","","","CN1C2CC(O)C1CC(=O)C2","","",NA,"PDBC01649","","Absent"
-"3-acetamidocoumarin","","","","","","","3-acetamidocoumarin","","","","","","","","","","","","","","","CC(=O)Nc1cc2ccccc2oc1=O","XJYLCCJIDYSFMB-UHFFFAOYSA-N","136620",NA,"PDBC01650","","Absent"
-"Roxarsone","","","","","","","roxarsone","","","","","","","","","","","","","","","Oc1ccc(cc1[N+](=O)[O-])[As](=O)(O)O","XMVJITFPVVRMHC-UHFFFAOYSA-N","5104",NA,"PDBC01651","","Absent"
-"Prestwick-972","","","","","","","Prestwick-972","","","","","","","","","","","","","","","Oc1noc2CNCCc12","","",NA,"PDBC01652","","Absent"
-"Pirlindole","","","","","","","pirlindole","","","","","","","","","","","","","","","Cc1ccc2n3CCNC4CCCc(c43)c2c1","IWVRVEIKCBFZNF-UHFFFAOYSA-N","68802",NA,"PDBC01653","","Absent"
-"Pronetalol","","","","","","","pronetalol","","","","","","","","","","","","","","","CC(C)NCC(O)c1ccc2ccccc2c1","HRSANNODOVBCST-UHFFFAOYSA-N","4930",NA,"PDBC01654","","Absent"
-"Tracazolate","","","","","","","tracazolate","","","","","","","","","","","","","","","CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12","PCTRYMLLRKWXGF-UHFFFAOYSA-N","5522",NA,"PDBC01655","","Absent"
-"Zardaverine","","","","","","","zardaverine","","","","","","","","","","","","","","zardaverine","COc1cc(ccc1OC(F)F)c2ccc(=O)[nH]n2","HJMQDJPMQIHLPB-UHFFFAOYSA-N","5723",NA,"PDBC01656","","Present"
-"Piribedil","","","","","","","piribedil","","","","","","","","","","","","","","","C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3","OQDPVLVUJFGPGQ-UHFFFAOYSA-N","4850",NA,"PDBC01657","","Absent"
-"Prestwick-981","","","","","","","Prestwick-981","","","","","","","","","","","","","","","CCN(CC)CCOC(=O)C1(CCCC1)c2ccc(cc2)[N+](=O)[O-]","","",NA,"PDBC01658","","Absent"
-"Prestwick-983","","","","","","","Prestwick-983","","","","","","","","","","","","","","","CN(C)CCCSC(=N)N","","",NA,"PDBC01659","","Absent"
-"beta-Sitosterol","","","","","","","sitosterol","","","","","","","","","","","","","Beta-Sitosterol","","CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C","KZJWDPNRJALLNS-VJSFXXLFSA-N","222284",NA,"PDBC01660","8096","Present"
-"Sanguinarine","","","","","","","sanguinarine","","","","","","","","","","","","","Sanguinarine sulfate///sanguinarine","","C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6","INVGWHRKADIJHF-UHFFFAOYSA-N","5154",NA,"PDBC01661","755821///35607","Present"
-"Harpagoside","","","","","","","harpagoside","","","","","","","","","","","","","","","C[C@@]1(C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12)OC(=O)/C=C/c4ccccc4","KVRQGMOSZKPBNS-FMHLWDFHSA-N","5281542",NA,"PDBC01662","","Absent"
-"Madecassol","","","","","","","asiaticoside","","","","","","","","","","","","","","","C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O[C@@H]6O[C@H](COC7O[C@H](CO)[C@@H](OC8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O","WYQVAPGDARQUBT-JVGKFWCXSA-N","52912190",NA,"PDBC01663","","Absent"
-"Betulin","","","","","","","betulin","","","","","","","","","","","","","betulindiacetate///Betulin","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO","FVWJYYTZTCVBKE-ROUWMTJPSA-N","72326",NA,"PDBC01664","38876///4644","Present"
-"Gliquidone","","","","","","","gliquidone","","","","","","","","","","","","","","","COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)S(=O)(=O)NC(=O)NC4CCCCC4)C(=O)C2(C)C","LLJFMFZYVVLQKT-UHFFFAOYSA-N","91610",NA,"PDBC01665","","Absent"
-"Pizotifen","","","","","","","pizotifen","","","","","","","","","","","","","","","CN1CCC(=C2c3ccsc3CCc4ccccc24)CC1","FIADGNVRKBPQEU-UHFFFAOYSA-N","27400",NA,"PDBC01666","","Absent"
-"Cyclopenthiazide","","","","","","","cyclopenthiazide","","","","","","","","","","","","","","","NS(=O)(=O)c1cc2c(NC(CC3CCCC3)NS2(=O)=O)cc1Cl","BKYKPTRYDKTTJY-UHFFFAOYSA-N","2904",NA,"PDBC01667","","Absent"
-"Cefalonium","","","","","","","cefalonium","","","","","","","","","","","","","","","NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4cccs4)C3=O)C(=O)O)cc1","FMZXNVLFJHCSAF-DNVCBOLYSA-N","21743",NA,"PDBC01668","","Absent"
-"Zuclopenthixol","","","","","","","zuclopenthixol","","","","","","","","","","","","","","","OCCN1CCN(CC/C=C\2/c3ccccc3Sc4ccc(Cl)cc24)CC1","WFPIAZLQTJBIFN-DVZOWYKESA-N","5311507",NA,"PDBC01669","","Absent"
-"Proguanil","","","","","","","proguanil","","","","","","","","","","","","Proguanil hydrochloride","","","CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1","SSOLNOMRVKKSON-UHFFFAOYSA-N","4923",TRUE,"PDBC01670","","Absent"
-"Lymecycline","","","","","","","lymecycline","","","","","","","","","","","","","","","CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCNC(CCCCN)C(=O)O)C(=O)c4c(O)cccc4[C@@]3(C)O","AHEVKYYGXVEWNO-UEPZRUIBSA-N","54707177",NA,"PDBC01671","","Absent"
-"Alfadolone","","","","","","","alfadolone","","","","","","","","","","","","","","","CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C","XWYBFXIUISNTQG-VKMGZQQJSA-N","9798416",NA,"PDBC01672","","Absent"
-"Alfaxalone","","","","","","","alfaxalone","","","","","","","","","","","","","","","CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C","DUHUCHOQIDJXAT-OLVMNOGESA-N","104845",NA,"PDBC01673","","Absent"
-"Azapropazone","","","","","","","azapropazone","","","","","","","","","","","","","","","CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C","MPHPHYZQRGLTBO-UHFFFAOYSA-N","26098",NA,"PDBC01674","","Absent"
-"Meptazinol","","","","","","","meptazinol","","","","","","","","","","","","Meptazinol hydrochloride","","","CCC1(CCCCN(C)C1)c2cccc(O)c2","JLICHNCFTLFZJN-UHFFFAOYSA-N","41049",NA,"PDBC01675","","Absent"
-"Epitiostanol","","","","","","","epitiostanol","","","","","","","","","","","","","","","C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC5SC5C[C@@]43C)[C@@H]2CC[C@@H]1O","OBMLHUPNRURLOK-XGRAFVIBSA-N","443935",NA,"PDBC01676","","Absent"
-"Fursultiamine","","","","","","","fursultiamine","","","","","","","","","","","","","","","C/C(=C(/CCO)\SSCC1CCCO1)/N(Cc2cnc(C)nc2N)C=O","JTLXCMOFVBXEKD-FOWTUZBSSA-N","3002119",NA,"PDBC01677","","Absent"
-"Pivampicillin","","","","","","","pivampicillin","","","","","","","","","","","","","","","CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O","ZEMIJUDPLILVNQ-ZXFNITATSA-N","33478",NA,"PDBC01678","","Absent"
-"Talampicillin","","","","","","","talampicillin","","","","","","","","","","","","","","","CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC4OC(=O)c5ccccc45","SOROUYSPFADXSN-SUWVAFIASA-N","71447",NA,"PDBC01679","","Absent"
-"Flucloxacillin","","","","","","","flucloxacillin","","","","","","","","","","","","","","","Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(F)cccc4Cl","UIOFUWFRIANQPC-JKIFEVAISA-N","21319",NA,"PDBC01680","","Absent"
-"Trapidil","","","","","","","trapidil","","","","","","","","","","","","","","trapidil","CCN(CC)c1cc(C)nc2ncnn12","GSNOZLZNQMLSKJ-UHFFFAOYSA-N","5531",NA,"PDBC01681","","Present"
-"Etofenamate","","","","","","","etofenamate","","","","","","","","","","","","","","","OCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F","XILVEPYQJIOVNB-UHFFFAOYSA-N","35375",NA,"PDBC01682","","Absent"
-"Etamsylate","","","","","","","etamsylate","","","","","","","","","","","","Ethamsylate","","","Oc1ccc(O)c(c1)S(=O)(=O)O","HBGOLJKPSFNJSD-UHFFFAOYSA-N","17506",NA,"PDBC01683","","Absent"
-"Etilefrine","","","","","","","etilefrine","","","","","","","","","","","","","","","CCNCC(O)c1cccc(O)c1","SQVIAVUSQAWMKL-UHFFFAOYSA-N","3306",NA,"PDBC01684","","Absent"
-"Tribenoside","","","","","","","tribenoside","","","","","","","","","","","","","","","CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc3ccccc3)[C@H](OCc4ccccc4)[C@H]1O","ULLNJSBQMBKOJH-VIVFLBMVSA-N","196122",NA,"PDBC01685","","Absent"
-"Tiletamine","","","","","","","tiletamine","","","","","","","","","","","","","","tiletamine","CCNC1(CCCCC1=O)c2cccs2","QAXBVGVYDCAVLV-UHFFFAOYSA-N","26533",NA,"PDBC01686","","Present"
-"Isometheptene","","","","","","","isometheptene","","","","","","","","","","","","","","","CNC(C)CCC=C(C)C.OC(C(O)C(O)C(=O)O)C(O)C(=O)O","XVQUOJBERHHONY-UHFFFAOYSA-N","22297",NA,"PDBC01687","","Absent"
-"Nifurtimox","","","","","","","nifurtimox","","","","","","","","","","","","","","","CC1CS(=O)(=O)CCN1/N=C/c2ccc(o2)[N+](=O)[O-]","ARFHIAQFJWUCFH-IZZDOVSWSA-N","6842999",NA,"PDBC01688","","Absent"
-"Risperidone","","","","","","","risperidone","","","","","","","","","","","","","Risperidone;A-9056","","Cc1nc2CCCCn2c(=O)c1CCN3CCC(CC3)c4noc5cc(F)ccc45","RAPZEAPATHNIPO-UHFFFAOYSA-N","5073",TRUE,"PDBC01689","786035","Present"
-"Halofantrine","","","","","","","halofantrine","","","","","","","","","","","","","","halofantrine","CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F","FOHHNHSLJDZUGQ-UHFFFAOYSA-N","37393",TRUE,"PDBC01690","","Present"
-"Articaine","","","","","","","articaine","","","","","","","","","","","","Articaine hydrochloride","","","CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC","QTGIAADRBBLJGA-UHFFFAOYSA-N","32170",TRUE,"PDBC01691","","Absent"
-"Nomegestrol","","","","","","","nomegestrol","","","","","","","","","","","","","","","CC(=O)CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C","KZUIYQJTUIACIG-YBZCJVABSA-N","68783",NA,"PDBC01692","","Absent"
-"Alcuronium chloride","","","","","","","alcuronium chloride","","","","","","","","","","","","","","","OC/C=C/1\C[N@+]2(CC=C)CC[C@]3([C@@H]2C[C@@H]1C4=CN5C6C(=CN7C43)[C@H]\8C[C@H]9[C@@]6(CC[N@@+]9(CC=C)C/C8=C\CO)c%10ccccc5%10)c%11ccccc7%11","CPYGBGOXCJJJGC-GKLGUMFISA-L","21158559",NA,"PDBC01693","","Absent"
-"L-Tyrosine, 3-hydroxy-alpha-methyl-, ethyl ester","","","","","","","methyldopate","","","","","","","","","","","","","","","COc1ccc(C[C@](C)(N)C(=O)O)cc1OC","SVEBYYWCXTVYCR-LBPRGKRZSA-N","17277",TRUE,"PDBC01694","","Absent"
-"Prednicarbate","","","","","","","prednicarbate","","","","","","","","","","","","","","","CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)COC(=O)CC","FNPXMHRZILFCKX-KAJVQRHHSA-N","6714002",TRUE,"PDBC01695","","Absent"
-"Sertaconazole","","","","","","","sertaconazole","","","","","","","","","","","","","","","Clc1ccc(C(Cn2ccnc2)OCc3csc4c(Cl)cccc34)c(Cl)c1","JLGKQTAYUIMGRK-UHFFFAOYSA-N","65863",TRUE,"PDBC01696","","Absent"
-"Piretanide","","","","","","","piretanide","","","","","","","","","","","","","","piretanide","NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O","UJEWTUDSLQGTOA-UHFFFAOYSA-N","4849",NA,"PDBC01697","","Present"
-"Pivmecillinam","","","","","","","pivmecillinam","","","","","","","","","","","","","","","CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](/N=C/N3CCCCCC3)C2=O","NPGNOVNWUSPMDP-HLLBOEOZSA-N","115163",NA,"PDBC01698","","Absent"
-"Piperidolate","","","","","","","piperidolate","","","","","","","","","","","","","","","CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3","KTHVBAZBLKXIHZ-UHFFFAOYSA-N","4839",NA,"PDBC01699","","Absent"
-"Ioxaglic acid","","","","","","","ioxaglic acid","","","","","","","","","","","","","","","CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I","TYYBFXNZMFNZJT-UHFFFAOYSA-N","3742",NA,"PDBC01700","","Absent"
-"Meprylcaine","","","","","","","meprylcaine","","","","","","","","","","","","","","","CCCNC(C)(C)COC(=O)c1ccccc1","VXJABHHJLXLNMP-UHFFFAOYSA-N","4065",NA,"PDBC01701","","Absent"
-"Imidazolidinyl urea","","","","","","","imidurea","","","","","","","","","","","","","","","OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O","ZCTXEAQXZGPWFG-UHFFFAOYSA-N","38258",NA,"PDBC01702","","Absent"
-"Dexpropranolol","","","","","","","dexpropranolol","","","","","","","","","","","","","","","CC(C)NC[C@@H](O)COc1cccc2ccccc12","AQHHHDLHHXJYJD-CQSZACIVSA-N","21138",NA,"PDBC01703","","Absent"
-"Ciprofibrate","","","","","","","ciprofibrate","","","","","","","","","","","","","","ciprofibrate","CC(C)(Oc1ccc(cc1)C2CC2(Cl)Cl)C(=O)O","KPSRODZRAIWAKH-UHFFFAOYSA-N","2763",NA,"PDBC01704","","Present"
-"Tropine","","","","","","","tropine","","","","","","","","","","","","","","","CN1C2CCC1CC(O)C2","CYHOMWAPJJPNMW-UHFFFAOYSA-N","8424",NA,"PDBC01705","","Absent"
-"Prestwick-1080","","","","","","","Prestwick-1080","","","","","","","","","","","","","","","COC(=O)Nc1nc2cc(SC(C)C)ccc2[nH]1","","",NA,"PDBC01706","","Absent"
-"Prestwick-1083","","","","","","","Prestwick-1083","","","","","","","","","","","","","","","CCN1C[C@]2(COC)CC[C@H](O)C3(C4C[C@H]5[C@H](OC(=O)C)C4[C@](O)(CC5OC)[C@H]6CC32)[C@@H]61","","",NA,"PDBC01707","","Absent"
-"Prestwick-1084","","","","","","","Prestwick-1084","","","","","","","","","","","","","","","C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C","","",NA,"PDBC01708","","Absent"
-"Prestwick-1085","","","","","","","Prestwick-1085","","","","","","","","","","","","","","","COc1c2CC(Oc2nc3ccccc13)C(C)(O)CO","","",NA,"PDBC01709","","Absent"
-"Cycloserine","","","","","","","cycloserine","","","","","","","","","","","","","","","N[C@@H]1CONC1=O","DYDCUQKUCUHJBH-UWTATZPHSA-N","51670069",TRUE,"PDBC01710","","Absent"
-"2-Chloropyrazine","","","","","","","chloropyrazine","","","","","","","","","","","","","","","Clc1cnccn1","GELVZYOEQVJIRR-UHFFFAOYSA-N","73277",NA,"PDBC01711","","Absent"
-"Homosalate","","","","","","","homosalate","","","","","","","","","","","","","","homosalate","CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2O","WSSJONWNBBTCMG-UHFFFAOYSA-N","8362",NA,"PDBC01712","","Present"
-"Spaglumic acid","","","","","","","spaglumic acid","","","","","","","","","","","","","","","CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O","OPVPGKGADVGKTG-BQBZGAKWSA-N","188803",NA,"PDBC01713","","Absent"
-"Cyclic AMP","","","","","","","cyclic adenosine monophosphate","","","","","","","","","","","","","","","Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C3O","IVOMOUWHDPKRLL-ASCDQALMSA-N","25322948",NA,"PDBC01714","","Absent"
-"Estriol","","","","","","","estriol","","","","","","","","","","","","","","","C[C@@]12CCC3C(CCc4cc(O)ccc34)C2C[C@@H](O)[C@@H]1O","PROQIPRRNZUXQM-ZXXIGWHRSA-N","5756",NA,"PDBC01715","","Absent"
-"Levisoprenaline","","","","","","","(-)-isoprenaline","","","","","","","","","","","","","","","CC(C)NCC(O)c1ccc(O)c(O)c1","JWZZKOKVBUJMES-NSHDSACASA-N","443372",NA,"PDBC01716","","Absent"
-"Kaempferol","","","","","","","kaempferol","","","","","","","","","","","","","","","Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O","IYRMWMYZSQPJKC-UHFFFAOYSA-N","5280863",NA,"PDBC01717","","Absent"
-"Nialamide","","","","","","","nialamide","","","","","","","","","","","","","","","O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2","NOIIUHRQUVNIDD-UHFFFAOYSA-N","4472",NA,"PDBC01718","","Absent"
-"Prestwick-1100","","","","","","","Prestwick-1100","","","","","","","","","","","","","","","CC1C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)c2ccccc2C1=O","","",NA,"PDBC01719","","Absent"
-"Prestwick-1103","","","","","","","Prestwick-1103","","","","","","","","","","","","","","","COc1ccc2nccc(C(=O)O)c2c1","","",NA,"PDBC01720","","Absent"
-"Verteporfin","","","","","","","verteporfin","","","","","","","","","","","","","","","COC(=O)C1C(=CC=C2c3cc4[nH]c(cc5nc(cc6[nH]c(cc(n3)[C@]12C)c(C)c6CCC(=O)O)c(CCC(=O)O)c5C)c(C=C)c4C)C(=O)OC","YTZALCGQUPRCGW-MXVXOLGGSA-N","",TRUE,"PDBC01721","","Absent"
-"Mephenytoin","","","","","","","mephenytoin","","","","","","","","","","","","","","mephenytoin","CCC1(NC(=O)N(C)C1=O)c2ccccc2","GMHKMTDVRCWUDX-UHFFFAOYSA-N","4060",TRUE,"PDBC01722","","Present"
-"Ronidazole","","","","","","","ronidazole","","","","","","","","","","","","","","","Cn1c(COC(=O)N)ncc1[N+](=O)[O-]","PQFRTXSWDXZRRS-UHFFFAOYSA-N","5094",TRUE,"PDBC01723","","Absent"
-"Dorzolamide","","","","","","","dorzolamide","","","","","","","","","","","","","","dorzolamide","CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(=O)(=O)N","IAVUPMFITXYVAF-XPUUQOCRSA-N","5284549",TRUE,"PDBC01724","","Present"
-"Azaperone","","","","","","","azaperone","","","","","","","","","","","","","","","Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3","XTKDAFGWCDAMPY-UHFFFAOYSA-N","15443",NA,"PDBC01725","","Absent"
-"Cefepime","","","","","","","cefepime","","","","","","","","","","","","","","","CON=C(C(=O)N[C@@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[N+]3(C)CCCC3)c4csc(N)n4","HVFLCNVBZFFHBT-ZKDACBOMSA-N","5479537",TRUE,"PDBC01726","","Absent"
-"0173570-0000","","","","","","","0173570-0000","","","","","","","","","","","","","","","CCn1c(=O)c(C)cc2cnc(Nc3ccccc3)nc12","","",NA,"PDBC01727","","Absent"
-"0175029-0000","","","","","","","0175029-0000","","","","","","","","","","","","","","","CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(c4ccccc4)c3n2)cc1","","",NA,"PDBC01728","","Absent"
-"0179445-0000","","","","","","","0179445-0000","","","","","","","","","","","","","","","O=c1ccc2cnc(NCCCN3CCCCC3)nc2n1C4CCCCC4","","",NA,"PDBC01729","","Absent"
-"0198306-0000","","","","","","","0198306-0000","","","","","","","","","","","","","","","Cc1cc(I)ccc1Nc2c(F)c(F)c(F)cc2C(=O)NOCC3CC3","","",NA,"PDBC01730","","Absent"
-"0297417-0002B","","","","","","","0297417-0002B","","","","","","","","","","","","","","","Cc1cc(=O)n(C2CCCC2)c3nc(Nc4ccc(cc4)N5CCNC(C)(C)C5)ncc13","ZOCHARZZJNPSEU-UHFFFAOYSA-N","6328200",NA,"PDBC01731","","Absent"
-"0316684-0000","","","","","","","0316684-0000","","","","","","","","","","","","","","","OCCONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F","","",NA,"PDBC01732","","Absent"
-"AG-012559","","","","","","","AG-012559","","","","","","","","","","","","","","","N(c1cc([nH]n1)c2cccnc2)c3ccccc3","","",NA,"PDBC01733","","Absent"
-"AG-028671","","","","","","","AG-028671","","","","","","","","","","","","","","","Cn1ccnc1c2cc3nccc(Oc4ccc5c(cccc5c4)C(=O)NCCN6CCOCC6)c3s2","","",NA,"PDBC01734","","Absent"
-"CP-319743","","","","","","","CP-319743","","","","","","","","","","","","","","","COc1cc2ncnc(N3CCc4cc(OCc5ccccc5)ccc34)c2cc1OC","","",NA,"PDBC01735","","Absent"
-"CP-320650-01","","","","","","","CP-320650-01","","","","","","","","","","","","","","","COc1cc2c(ncnc2cc1OCCO)N3CCc4ccc(Cl)cc34","","",NA,"PDBC01736","","Absent"
-"CP-645525-01","","","","","","","CP-645525-01","","","","","","","","","","","","","","","CC(N)C(O)C#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(F)c4)c(C)c3)c2c1","","",NA,"PDBC01737","","Absent"
-"CP-690334-01","","","","","","","CP-690334-01","","","","","","","","","","","","","","","CCn1c(=O)n(CC)c2cc(ccc12)c3c(NCCCN(C)C)n[nH]c3c4cccc(C)c4","","",NA,"PDBC01738","","Absent"
-"CP-863187","","","","","","","CP-863187","","","","","","","","","","","","","","","CC(C)c1nnc2ccc(cn12)c3ocnc3c4cc(F)ccc4F","","9949821",NA,"PDBC01739","","Absent"
-"CP-944629","","","","","","","CP-944629","","","","","","","","","","","","","","","CC(C)(C)c1nnc2ccc(cn12)c3ocnc3c4cc(F)c(F)cc4F","","9999342",NA,"PDBC01740","","Absent"
-"PHA-00745360","","","","","","","PHA-00745360","","","","","","","","","","","","","","","FC(F)(F)c1cc(NC(=O)c2cccc(CCc3cc(Nc4cccnc4)n[nH]3)c2)ccc1N5CCCC5","","",NA,"PDBC01741","","Absent"
-"PHA-00767505E","","","","","","","PHA-00767505E","","","","","","","","","","","","","","","NCCCn1nc(cc1C(=O)O)c2ccnc(c2)c3cnc4ccccc4c3","","",NA,"PDBC01742","","Absent"
-"PHA-00846566E","","","","","","","PHA-00846566E","","","","","","","","","","","","","","","CCNC(=O)CCCOc1cccc(c1)c2cc(ccn2)c3cc4C(=O)NCCc4[nH]3","","",NA,"PDBC01743","","Absent"
-"PHA-00851261E","","","","","","","PHA-00851261E","","","","","","","","","","","","","","","O=C1N(C(=O)c2ccccc12)c3cc(ccn3)c4cc5C(=O)NCCc5[nH]4","","",NA,"PDBC01744","","Absent"
-"PNU-0230031","","","","","","","PNU-0230031","","","","","","","","","","","","","","","CC(C)c1cnc(NC(=O)Nc2ccc(N)cc2)s1","","",NA,"PDBC01745","","Absent"
-"PNU-0251126","","","","","","","PNU-0251126","","","","","","","","","","","","","","","CC(C)c1cnc(NC(=O)Nc2ccc(O)cc2)s1","","",NA,"PDBC01746","","Absent"
-"PNU-0293363","","","","","","","PNU-0293363","","","","","","","","","","","","","","","CS(=O)(=O)c1ccc(s1)C(=O)Nc2cc([nH]n2)C3CC3","","",NA,"PDBC01747","","Absent"
-"Spiradoline","","","","","","","spiradoline","","","","","","","","","","","","","","spiradoline","CN([C@H]1CC[C@@]2(CCCO2)C[C@H]1N3CCCC3)C(=O)Cc4ccc(Cl)c(Cl)c4","NYKCGQQJNVPOLU-ONTIZHBOSA-N","55652",NA,"PDBC01748","","Present"
-"Withaferin A","","","","","","","withaferin A","","","","","","","","","","","","withaferin","Withaferin A","","CC([C@H]1CC[C@@H]2[C@H]3C[C@H]4O[C@@]44[C@@H](O)C=CC(=O)[C@@]4(C)C3CC[C@@]12C)[C@@H]1CC(C)=C(CO)C(=O)O1","DBRXOUCRJQVYJQ-CKNDUULBSA-N","265237",NA,"PDBC01749","101088","Present"
-"Semustine","","","","","","","semustine","","","","","","","","","","","","","METHYL CCNU","","CC1CCC(CC1)NC(=O)N(CCCl)N=O","FVLVBPDQNARYJU-UHFFFAOYSA-N","5198",NA,"PDBC01750","95441","Present"
-"PS-III","","","","","","","MG-262","","","","","","","","","","","","","","","CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)B(O)O","GPWIPTHHAKFKLH-FKBYEOEOSA-N","11466507",NA,"PDBC01751","","Absent"
-"Scriptaid","","","","","","","scriptaid","","","","","","","","","","","","","","scriptaid","ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23","JTDYUFSDZATMKU-UHFFFAOYSA-N","5186",NA,"PDBC01752","","Present"
-"valinomycin","","","","","","","valinomycin","","","","","","","","","","","","","VALINOMYCIN","","CC(C)C1NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C","FCFNRCROJUBPLU-DNDCDFAISA-N","3000706",NA,"PDBC01753","122023","Present"
-"0225151-0000","","","","","","","0225151-0000","","","","","","","","","","","","","","","Cc1ccc2cc(NC(=O)c3cccc(SCc4cc(Nc5ccccc5)[nH]n4)c3)ccc2n1","","",NA,"PDBC01754","","Absent"
-"PF-00539745-00","","","","","","","PF-00539745-00","","","","","","","","","","","","","","","O=C(Nc1cccc(OCc2cccnc2)c1)[C@@]34C[C@@H]5C[C@H]4C[C@H](C3)C5","","",NA,"PDBC01755","","Absent"
-"PF-00562151-00","","","","","","","PF-00562151-00","","","","","","","","","","","","","","","CC(C)c1ccc(NC(=O)c2cccc(SCc3cnccn3)c2)cc1C","","",NA,"PDBC01756","","Absent"
-"PF-00875133-00","","","","","","","PF-00875133-00","","","","","","","","","","","","","","","COc1ccccc1/C=C/C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2","","",NA,"PDBC01757","","Absent"
-"AG-013608","","","","","","","AG-013608","","","","","","","","","","","","","","","COc1ccc(Nc2cc(COc3cc(ccc3F)C(=O)Nc4ccc(N5CCCC5)c(c4)C(F)(F)F)[nH]n2)cn1","","",NA,"PDBC01758","","Absent"
-"PF-00539758-00","","","","","","","PF-00539758-00","","","","","","","","","","","","","","","Cc1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)n(C)n1","","",NA,"PDBC01759","","Absent"
-"PF-01378883-00","","","","","","","PF-01378883-00","","","","","","","","","","","","","","","CC(C)c1ccc(NC(=O)c2cccc(OCc3cncc4ccccc34)c2)cc1C","","",NA,"PDBC01760","","Absent"
-"STOCK1N-35215","","","","","","","STOCK1N-35215","","","","","","","","","","","","","","","COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C(=O)CCl)c4ccc(cc4)C(=O)OC","","",NA,"PDBC01761","","Absent"
-"5707885","","","","","","","5707885","","","","","","","","","","","","","","","COCCOC(=O)C1=C(C)NC2=C(C1c3ccccc3F)C(=O)CC(C2)c4ccc(Cl)cc4","","",NA,"PDBC01762","","Absent"
-"F0447-0125","","","","","","","F0447-0125","","","","","","","","","","","","","","","CCc1ccccc1NC(=O)/C=C/c2ccc(s2)[N+](=O)[O-]","","",NA,"PDBC01763","","Absent"
-"5155877","","","","","","","5155877","","","","","","","","","","","","","","","O=P(CC1CS(=O)(=O)C=C1)(Oc2ccccc2)Oc3ccccc3","","",NA,"PDBC01764","","Absent"
-"5194442","","","","","","","5194442","","","","","","","","","","","","","","","CCOC(=O)c1ccc(N=Cc2ccc(s2)[N+](=O)[O-])cc1","","",NA,"PDBC01765","","Absent"
-"STOCK1N-35874","","","","","","","STOCK1N-35874","","","","","","","","","","","","","","","CCCCn1c(=O)[nH]c(O)c(C2NCCc3c2[nH]c4ccccc34)c1=O","","",NA,"PDBC01766","","Absent"
-"STOCK1N-35696","","","","","","","STOCK1N-35696","","","","","","","","","","","","","","","Cn1c(O)c(C2NCCc3c2[nH]c4ccccc34)c(=O)n(C)c1=O","","",NA,"PDBC01767","","Absent"
-"STOCK1N-28457","","","","","","","STOCK1N-28457","","","","","","","","","","","","","","","COc1c2OCOc2cc3CCN(C)C(CN)c13","ODLCWRPXBNVZCY-UHFFFAOYSA-N","3841896",NA,"PDBC01768","","Absent"
-"BAS-012416453","","","","","","","BAS-012416453","","","","","","","","","","","","","","","Cc1ccc(cc1)C(=O)c2cncc(Br)c2","","",NA,"PDBC01769","","Absent"
-"Glycyl-l-histidyl-l-lysine","","","","","","","Gly-His-Lys","","","","","","","","","","","","","","","NCCCCC(NC(=O)C(Cc1c[nH]cn1)NC(=O)CN)C(=O)O","MVORZMQFXBLMHM-QWRGUYRKSA-N","73587",NA,"PDBC01770","","Absent"
-"GSK-3 inhibitor IX","","","","","","","6-bromoindirubin-3'-oxime","GSK-3 inhibitor IX","","","","","","","","","","","","NSC745931","GSK-3-inhibitor-IX","ONC1=c2ccccc2=NC1=C3C(=O)Nc4cc(Br)ccc34","SAQUSDSPQYQNBG-UHFFFAOYSA-N","448949",NA,"PDBC01771","745931","Present"
-"16,16-dimethylprostaglandin E2","","","","","","16,16-dimethylprostaglandin-E2","16,16-dimethylprostaglandin E2","","","","","","","","","","","","","","","CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O","QAOBBBBDJSWHMU-BKSAQPBESA-N","6434251",NA,"PDBC01772","","Absent"
-"SC-560","","","","","","","SC-560","","","","","","","","","","","","","","","COc1ccc(cc1)n2nc(cc2c3ccc(Cl)cc3)C(F)(F)F","PQUGCKBLVKJMNT-UHFFFAOYSA-N","4306515",NA,"PDBC01773","","Absent"
-"H-89","","","","","","","H-89","","","","","","","","","","","","H-89-2HCl","H-89","","Brc1ccc(/C=C/CNCCNS(=O)(=O)c2cccc3cnccc23)cc1","ZKZXNDJNWUTGDK-NSCUHMNNSA-N","449241",NA,"PDBC01774","782017///755766","Present"
-"AH-23848","","","","","","","AH-23848","","","","","","","","","","","","","","","OC(=O)CCC=CCCC1C(CC(=O)C1N2CCOCC2)OCc3ccc(cc3)c4ccccc4","IOFUFYLETVNNRF-OWOJBTEDSA-N","6435402",NA,"PDBC01775","","Absent"
-"NS-398","","","","","","","NS-398","","","","","","","","","","","","","","","CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]","KTDZCOWXCWUPEO-UHFFFAOYSA-N","4553",NA,"PDBC01776","","Absent"
-"AH-6809","","","","","","","AH-6809","","","","","","","","","","","","","","","CC(C)Oc1ccc2c(=O)c3cc(ccc3oc2c1)C(=O)O","AQFFXPQJLZFABJ-UHFFFAOYSA-N","119461",NA,"PDBC01777","","Absent"
-"SC-19220","","","","","","","SC-19220","","","","","","","","","","","","","","","CC(=O)NNC(=O)N1Cc2cc(Cl)ccc2Oc3ccccc13","KNURFLJTOUGOOQ-UHFFFAOYSA-N","4336830",NA,"PDBC01778","","Absent"
-"CAY-10397","","","","","","","CAY-10397","","","","","","","","","","","","","","","CCOC(=O)c1ccc(N=Nc2ccc(O)c(CC(=O)O)c2)cc1","DPHOCQNZARWEHS-FMQUCBEESA-N","",NA,"PDBC01779","","Absent"
-"15(S)-15-methylprostaglandin E2","","","","","","","15(S)-15-methylprostaglandin E2","","","","","","","","","","","","","","","CCCCCC(C)(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O","","",NA,"PDBC01780","","Absent"
-"Meteneprost","","","","","","","meteneprost","","","","","","","","","","","","","","","CCCCC(C)(C)C(O)C=CC1C(O)CC(=C)C1CC=CCCCC(=O)O","WMLGLMGSFIXSGO-KTXJXPLISA-N","5283060",NA,"PDBC01781","","Absent"
-"16-phenyltetranorprostaglandin E2","","","","","","","16-phenyltetranorprostaglandin E2","","","","","","","","","","","","","","","OC(Cc1ccccc1)C=CC2C(O)CC(=O)C2CC=CCCCC(=O)O","","",NA,"PDBC01782","","Absent"
-"11-deoxy-16,16-dimethylprostaglandin E2","","","","","","","11-deoxy-16,16-dimethylprostaglandin E2","","","","","","","","","","","","","","","CCCCC(C)(C)C(O)C=CC1CCC(=O)C1CC=CCCCC(=O)O","LLVVDFDWPQHXBA-PMOPTMIRSA-N","71684386",NA,"PDBC01783","","Absent"
-"C-75","","","","","","","C-75","","","","","","","","C-75","","","","","C-75","","C[C@H]1CC[C@H](CC1)OC(=O)c2c(oc3c(C#CC4(O)CCCC4)cc(C[C@H](NC(=O)C)C(=O)NCCO)cc23)C5(O)CCCC5","VCWLZDVWHQVAJU-UHFFFAOYSA-N","4248455",NA,"PDBC01784","764756","Present"
-"Alsterpaullone","","","","","","","alsterpaullone","","","","","","","","","","","","","alsterpaullone","","[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc34)c2c1","OLUKILHGKRVDCT-UHFFFAOYSA-N","5005498",NA,"PDBC01785","705701","Present"
-"GW-8510","","","","","","","GW-8510","","","","","","","","","","","","","","","O=C/1Nc2ccc3ncsc3c2\C1=C\Nc4ccc(cc4)S(=O)(=O)Nc5ccccn5","GCYXEGSPUDSZJY-PTNGSMBKSA-N","6539118",NA,"PDBC01786","","Absent"
-"AR-A014418","","","","","","","AR-A014418","","","","","","","AR-A014418","","","","","","","","COc1ccc(CNC(=O)Nc2ncc(s2)[N+](=O)[O-])cc1","YAEMHJKFIIIULI-UHFFFAOYSA-N","448014",NA,"PDBC01787","","Absent"
-"IC-86621","","","","","","","IC-86621","","","","","","","","","","","","","","","CC(=O)c1ccc(cc1O)N2CCOCC2","YHKSBKQXCWHTQL-UHFFFAOYSA-N","9859309",NA,"PDBC01788","","Absent"
-"BCB000038","","","","","","","BCB000038","","","","","","","","","","","","","","","OC(=O)CCCCCC(=O)N/N=C/c1cccs1","","",NA,"PDBC01789","","Absent"
-"BCB000039","","","","","","","BCB000039","","","","","","","","","","","","","","","Oc1ccccc1/C=N/n2c3ccccc3c4ccccc24","","",NA,"PDBC01790","","Absent"
-"BCB000040","","","","","","","BCB000040","","","","","","","","","","","","","","","C(Cn1c2ccccc2c3ccccc13)c4nc5ccccc5[nH]4","","",NA,"PDBC01791","","Absent"
-"(-)-Epigallocatechin gallate","","","","","","","","epigallocatechin-3-monogallate","","","","","","","","","","","","","","","","65064",NA,"PDBC01792","","Present"
-"N-Hexanoylsphingosine","","","","","","","","C6-ceramide","","","","","","","","","","","","","","","","5702613",NA,"PDBC01793","","Present"
-"SB-431542","","","","","","","","SB-431542","","","","","","","","","SB-431542","","","SB-431542///SB-431542-A","SB-431542","NC(=O)c1ccc(cc1)c2nc(c([nH]2)c3ccccn3)c4ccc5OCOc5c4","","4521392",NA,"PDBC01794","756649///756453","Present"
-"BRD-K94991378","","","","","","","","BRD-K94991378","","","","","","","","","","","","","","COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17","","",NA,"PDBC01795","","Present"
-"IC-87114","","","","","","","","IC-87114","","","","","","","IC-87114","","","","","","","","","9908783",NA,"PDBC01796","","Present"
-"Sitagliptin","","","","","","","","sitagliptin","","","","","","","","","","","","","","N[C@@H](CC(=O)N1CCn2c(nnc2C1)C(F)(F)F)Cc3cc(F)c(F)cc3F","","4369359",TRUE,"PDBC01797","","Present"
-"BRD-K71935468","","","","","","","","BRD-K71935468","","","","","","","","","","","","","","COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC","","",NA,"PDBC01798","","Present"
-"apicidin","","","","","","","","apicidin","","","","","","","","","","","","","","-666","","6918328",NA,"PDBC01799","","Present"
-"BRD-A94377914","","","","","","","","BRD-A94377914","","","","","","","","","","","","","","","","",NA,"PDBC01800","","Present"
-"compound 1B","","","","","","","","compound 1B","","","","","","","","","","","","","","","","",NA,"PDBC01801","","Present"
-"Vincristine","","","","","","","","vincristine","Vincristine","","","","","","Vincristine","","","","","Vincristine","vincristine","CCC1(O)CC2CN(C1)CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7C86CCN9CC=CC(CC)(C98)C(C(=O)OC)C7(O)C(=O)OC","","5978",TRUE,"PDBC01802","67574///759174","Present"
-"BRD-K92856060","","","","","","","","BRD-K92856060","","","","","","","","","","","","","","","","",NA,"PDBC01803","","Present"
-"BRD-K45681478","","","","","","","","BRD-K45681478","","","","","","","","","","","","","","","","",NA,"PDBC01804","","Present"
-"MI-1","","","","","","","","MI-1","","","","","","","","","","","","","","","","",NA,"PDBC01805","","Present"
-"DBeQ","","","","","","","","DBeQ","","","","","","","","","","","","","","","","676352",NA,"PDBC01806","","Present"
-"ML083","","","","","","ASN 05257430","","ML083","","","","","","","","","","","","","","","","650361",NA,"PDBC01807","","Present"
-"CID-5951923","","","","","","","","CID-5951923","","","","","","","","","","","","","","","","5951923",NA,"PDBC01808","","Present"
-"IU1","","","","","","","","IU1","","","","","","","","","","","","","","","","675434",NA,"PDBC01809","","Present"
-"ML311","","","","","","","","ML311","","","","","","","","","","","","ml311","","","","3384730",NA,"PDBC01810","765420","Present"
-"BRD-K61166597","","","","","","","","BRD-K61166597","","","","","","","","","","","","","","","","",NA,"PDBC01811","","Present"
-"QW-BI-011","","","","","","","","QW-BI-011","","","","","","","","","","","","","","COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c4ccccc4)nc2c1","","",NA,"PDBC01812","","Present"
-"Bendamustine","","","","","","","","bendamustine","","","","","","","","","","","","Bendamustine","bendamustine","","","65628",TRUE,"PDBC01813","138783","Present"
-"Platinum","","","","","","","","Platin","","","","","","","","","","","","","","","","23939",TRUE,"PDBC01814","","Present"
-"TPCA-1","","","","TPCA-1","","","","TPCA-1","","","","TPCA-1","","","TPCA-1","","","","","","TPCA-1","NC(=O)Nc1sc(cc1C(=O)N)c2ccc(F)cc2","","9903786",NA,"PDBC01815","","Present"
-"BRD-K80183349","","","","","","","","BRD-K80183349","","","","","","","","","","","","","","","","",NA,"PDBC01816","","Present"
-"BRD-K66532283","","","","","","","","BRD-K66532283","","","","","","","","","","","","","","","","",NA,"PDBC01817","","Present"
-"Triazolothiadiazine","","","","","","","","triazolothiadiazine","","","","","","","","","","","","TRIAZOLOTHIADIAZINE","","","","",NA,"PDBC01818","725746///725750///725748///725751///725749","Present"
-"BRD-K66453893","","","","","","","","BRD-K66453893","","","","","","","","","","","","","","","","",NA,"PDBC01819","","Present"
-"BRD-K11533227","","","","","","","","BRD-K11533227","","","","","","","","","","","","","","-666","","",NA,"PDBC01820","","Present"
-"BRD-K27224038","","","","","","","","BRD-K27224038","","","","","","","","","","","","","","C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCOCC2)Oc3ncc(C#CC4(O)CCCC4)cc3C1=O","","",NA,"PDBC01821","","Present"
-"BRD-K14844214","","","","","","","","BRD-K14844214","","","","","","","","","","","","","","CC(C)CC#Cc1ccc2c(O[C@@H](CN(C)C(=O)c3cnccn3)[C@H](C)CN([C@H](C)CO)S2(=O)=O)c1","","",NA,"PDBC01822","","Present"
-"BRD1835","","","","","","","","BRD1835","","","","","","","","","","","","","","","","",NA,"PDBC01823","","Present"
-"BRD-K41597374","","","","","","","","BRD-K41597374","","","","","","","","","","","","","","","","",NA,"PDBC01824","","Present"
-"BRD-K63431240","","","","","","","","BRD-K63431240","","","","","","","","","","","","","","C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc4cc(C#Cc5ccncc5)ccc4S1(=O)=O","","",NA,"PDBC01825","","Present"
-"BRD-K13999467","","","","","","","","BRD-K13999467","","","","","","","","","","","","","","C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccncc2)Oc3cc(C#Cc4ccccc4F)ccc3S1(=O)=O","","",NA,"PDBC01826","","Present"
-"BRD-K96970199","","","","","","","","BRD-K96970199","","","","","","","","","","","","","","","","",NA,"PDBC01827","","Present"
-"SRT-1720","","","","","","","","SRT-1720","","","","","","","","","","","","","SRT1720","O=C(Nc1cc(CN2CCNCC2)cc(c1)-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1","","24180125",NA,"PDBC01828","","Present"
-"BRD-K49290616","","","","","","","","BRD-K49290616","","","","","","","","","","","","","","OC[C@@H]1O[C@@H](CC(=O)NCc2ccncn2)CC[C@H]1NC(=O)c1ccc(F)cc1","","",NA,"PDBC01829","","Present"
-"BRD-K02492147","","","","","","","","BRD-K02492147","","","","","","","","","","","","","","CN1CCN(CC1)C(=O)C[C@@H]1O[C@H](CO)[C@@H](NS(=O)(=O)c2cccc(F)c2)C=C1","","",NA,"PDBC01830","","Present"
-"BRD-K96431673","","","","","","","","BRD-K96431673","","","","","","","","","","","","","","CN1CCN(CC1)C(=O)C[C@H]1CC[C@H](NC(=O)c2ccc3OCOc3c2)[C@@H](CO)O1","","",NA,"PDBC01831","","Present"
-"BRD-K71781559","","","","","","","","BRD-K71781559","","","","","","","","","","","","","","","","",NA,"PDBC01832","","Present"
-"BRD-K86535717","","","","","","","","BRD-K86535717","","","","","","","","","","","","","","CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)[C@H](CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2)OC","","",NA,"PDBC01833","","Present"
-"BRD-K48334597","","","","","","","","BRD-K48334597","","","","","","","","","","","","","","","","",NA,"PDBC01834","","Present"
-"ML312","","","","","","","","ML312","","","","","","","","","","","","","","","","",NA,"PDBC01835","","Present"
-"BRD-K04800985","","","","","","","","BRD-K04800985","","","","","","","","","","","","","","","","",NA,"PDBC01836","","Present"
-"BRD-K78574327","","","","","","","","BRD-K78574327","","","","","","","","","","","","","","","","",NA,"PDBC01837","","Present"
-"BRD-K19103580","","","","","","","","BRD-K19103580","","","","","","","","","","","","","","","","",NA,"PDBC01838","","Present"
-"BRD-K30019337","","","","","","","","BRD-K30019337","","","","","","","","","","","","","","","","",NA,"PDBC01839","","Present"
-"BRD-K84807411","","","","","","","","BRD-K84807411","","","","","","","","","","","","","","","","",NA,"PDBC01840","","Present"
-"BRD-K44224150","","","","","","","","BRD-K44224150","","","","","","","","","","","","","","","","",NA,"PDBC01841","","Present"
-"BRD-K75293299","","","","","","","","BRD-K75293299","","","","","","","","","","","","","","","","",NA,"PDBC01842","","Present"
-"BRD-K64610608","","","","","","","","BRD-K64610608","","","","","","","","","","","","","","","","",NA,"PDBC01843","","Present"
-"BRD-K02251932","","","","","","","","BRD-K02251932","","","","","","","","","","","","","","","","",NA,"PDBC01844","","Present"
-"BRD-K55116708","","","","","","","","BRD-K55116708","","","","","","","","","","","","","","C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)Oc4c(NC(=O)Nc5ccccc5)cccc4C1=O","","",NA,"PDBC01845","","Present"
-"BRD-K41334119","","","","","","","","BRD-K41334119","","","","","","","","","","","","","","","","",NA,"PDBC01846","","Present"
-"BRD-K34485477","","","","","","","","BRD-K34485477","","","","","","","","","","","","","","","","",NA,"PDBC01847","","Present"
-"BRD-K16147474","","","","","","","","BRD-K16147474","","","","","","","","","","","","","","","","",NA,"PDBC01848","","Present"
-"BRD-K29086754","","","","","","","","BRD-K29086754","","","","","","","","","","","","","","","","",NA,"PDBC01849","","Present"
-"BRD-K33199242","","","","","","","","BRD-K33199242","","","","","","","","","","","","","","","","",NA,"PDBC01850","","Present"
-"BRD-K52037352","","","","","","","","BRD-K52037352","","","","","","","","","","","","","","","","",NA,"PDBC01851","","Present"
-"BRD-K27986637","","","","","","","","BRD-K27986637","","","","","","","","","","","","","","C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3OCCOc3c2)OCc4cn(CCCC1=O)nn4","","",NA,"PDBC01852","","Present"
-"BRD-K37390332","","","","","","","","BRD-K37390332","","","","","","","","","","","","","","","","",NA,"PDBC01853","","Present"
-"BRD-K50799972","","","","","","","","BRD-K50799972","","","","","","","","","","","","","","COc1ccccc1-c1cccc(c1)-c1nc(cc2CN([C@@H](CCO)c12)[S@@](=O)C(C)(C)C)C(=O)NCc1ccncc1","","",NA,"PDBC01854","","Present"
-"BRD-K17060750","","","","","","","","BRD-K17060750","","","","","","","","","","","","","","","","",NA,"PDBC01855","","Present"
-"Linifanib","","","","","","","","linifanib","","","","Linifanib","","","Linifanib","","Linifanib (ABT-869)","","","Linifanib","linifanib","Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1","","11485656",NA,"PDBC01856","800783///764237","Present"
-"Canertinib","","","","","","","","canertinib","","","","","","","CI-1033","","Canertinib (CI-1033)","","","PD183805///Canertinib","canertinib","Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl","","156414",NA,"PDBC01857","780019///801011","Present"
-"Masitinib","","","","","","","","masitinib","","","","Masitinib","","","Masitinib","","Masitinib (AB-1010)","","","Masitinib","masitinib","CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1","","10074640",NA,"PDBC01858","755400///800789","Present"
-"ZSTK474","","","","","","","","ZSTK474","","","","ZSTK474","","","ZSTK474","","","","","ZSTK474///ZSTK-474","ZSTK-474","FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1","","11647372",NA,"PDBC01859","800993///764516","Present"
-"Brivanib","","","","","","","","brivanib","","","","","","","Brivanib, BMS-540215","","","","","Brivanib","","C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C","","11234052",NA,"PDBC01860","764481","Present"
-"GDC-0879","","","","","","","","GDC-0879","","","","","","","","","GDC-0879","","","","GDC-0879","OCCn1cc(c(n1)-c1ccncc1)-c1ccc2c(CC\C2=N/O)c1","","11717001",NA,"PDBC01861","","Present"
-"SNS-032","","","","","","","","SNS-032","","","","","","","","","SNS-032 (BMS-387032)","","","BMS-387032","BMS-387032","","","3025986",NA,"PDBC01862","799362///767048","Present"
-"Ku-0063794","","","","","","","","KU-0063794","","","","","","","","","","","","","ku-0063794","COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1","","16736978",NA,"PDBC01863","","Present"
-"Met Kinase Inhibitor","","","","","","","","SU11274","","","","","","","SU11274","","SU11274","","","","","CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1","","9549297",NA,"PDBC01864","","Present"
-"BRD-K88742110","","","","","","","","BRD-K88742110","","","","","","","","","","","","","","COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1","","",NA,"PDBC01865","","Present"
-"StemRegenin 1","","","","","","","","StemRegenin 1","","","","","","","","","","","","","stemregenin-1","","","46199207",NA,"PDBC01866","","Present"
-"ML239","","","","","","","","ML239","","","","","","","","","","","","","","","","49843203",NA,"PDBC01867","","Present"
-"BRD-K51490254","","","","","","","","BRD-K51490254","","","","","","","","","","","","","","-666","","",NA,"PDBC01868","","Present"
-"BRD-K85133207","","","","","","","","BRD-K85133207","","","","","","","","","","","","","","","","",NA,"PDBC01869","","Present"
-"Repligen 136","","","","","","","","Repligen 136","","","","","","","","","","","","","","","","",NA,"PDBC01870","","Present"
-"Nintedanib","","","","","","","","nintedanib","","","","","","","BIBF-1120","","Vargetef","","","Intedanib","nintedanib","CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O","CPMDPSXJELVGJG-UHFFFAOYSA-N","135423438",TRUE,"PDBC01871","757442///756659","Present"
-"Regorafenib","","","","","","","","regorafenib","","","","","","","","","Regorafenib (BAY 73-4506)","","","Regorafenib","regorafenib","","","11167602",TRUE,"PDBC01872","800865///763932","Present"
-"WZ8040","","","","","","","","WZ8040","","","","","","","","","","","","","WZ8040","","","44607531",NA,"PDBC01873","","Present"
-"Osi-930","","","","","","","","OSI-930","","","","OSI-930","","","OSI-930","","","","","OSI-930","OSI-930","FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1","","9868037",NA,"PDBC01874","766887","Present"
-"MGCD-265 analog","","","","","","","","MGCD-265","","","","","","","","","MGCD-265","","","","MGCD-265","Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1","","24901704",NA,"PDBC01875","","Present"
-"Lenvatinib","","","","","","","","lenvatinib","","","","","","","","","Lenvatinib","","","Lenvatinib","lenvatinib","","","9823820",TRUE,"PDBC01876","755980","Present"
-"BRD-K29313308","","","","","","","","BRD-K29313308","","","","","","","","","","","","","","","","",NA,"PDBC01877","","Present"
-"Sgx-523","","","","","","","","SGX-523","","","","","","","","","SGX-523","","","SGX-523","","Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1","","24779724",NA,"PDBC01878","758591","Present"
-"Sonidegib","","","","","","","","erismodegib","","","","","","NVP-LDE225","","","","","","Sonidegib","sonidegib","C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1","","24775005",NA,"PDBC01879","761385///761386","Present"
-"Alisertib","","","","","","","","alisertib","","","","","","MLN-8237","Alisertib","","Alisertib (MLN8237)","","","Alisertib","alisertib","COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O","","24771867",NA,"PDBC01880","759677","Present"
-"Ruxolitinib","","","","","","","","ruxolitinib","","","","Ruxolitinib","","","Ruxolitinib","","Ruxolitinib (INCB018424)","Ruxolitinib","","Ruxolitinib","ruxolitinib","N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12","","25126798",TRUE,"PDBC01881","763371","Present"
-"SB-525334","","","","","","","","SB-525334","","","","","","","","","","","","","SB-525334","Cc1cccc(n1)-c1[nH]c(nc1-c1ccc2nccnc2c1)C(C)(C)C","","9967941",NA,"PDBC01882","","Present"
-"Pha-793887","","","","","","","","PHA-793887","","","","PHA-793887","","","PHA-793887","","","","","PHA-793887","PHA-793887","CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C","","46191454",NA,"PDBC01883","800851","Present"
-"Quizartinib","","","","","","","","quizartinib","","","","AC220","","","Quizartinib","","Quizartinib (AC220)","Quizartinib","","Quizartinib","quizartinib","CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1","","24889392",NA,"PDBC01884","799659///756647///800857","Present"
-"Fingolimod","","","","","","","","fingolimod","","","","","","","FTY-720","","","","","FTY720","","","","107970",TRUE,"PDBC01885","755643","Present"
-"BRD-K24690302","","","","","","","","BRD-K24690302","","","","","","","","","","","","","","","","",NA,"PDBC01886","","Present"
-"BRD-K70511574","","","","","","","","BRD-K70511574","","","","","","","","","","","","","","","","",NA,"PDBC01887","","Present"
-"BRD-K20514654","","","","","","","","BRD-K20514654","","","","","","","","","","","","","","","","",NA,"PDBC01888","","Present"
-"BRD-K28456706","","","","","","","","BRD-K28456706","","","","","","","","","","","","","","","","",NA,"PDBC01889","","Present"
-"STF-31","","","","","","","","STF-31","","","","","","","","","","","","","","","","984333",NA,"PDBC01890","","Present"
-"spautin-1","","","","","","","","spautin-1","","","","","","","","","","","","","","","","51037431",NA,"PDBC01891","","Present"
-"BRD-A02303741","","","","","","","","BRD-A02303741","","","","","","","","","","","","","","","","",NA,"PDBC01892","","Present"
-"ML320","","","","","","","","ML320","","","","","","","","","","","","","","","","",NA,"PDBC01893","","Present"
-"Tigecycline","","","","","","","","tigecycline","","","","","","","","","","","","","","CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C","","54686904",TRUE,"PDBC01894","","Present"
-"BRD-K34099515","","","","","","","","BRD-K34099515","","","","","","","","","","","","","","","","",NA,"PDBC01895","","Present"
-"PF-543","","","","","","","","PF-543","","","","","","","Sphingosine Kinase 1 Inhibitor II","","","","","","","Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1","","66577038",NA,"PDBC01896","","Present"
-"PF-573228","","","","","","","","PF-573228","","","","","","PF-573228","","","","","","","PF-573228","","","11612883",NA,"PDBC01897","","Present"
-"ceranib-2","","","","","","","","ceranib-2","","","","","","","","","","","","","","","","122388991",NA,"PDBC01898","","Present"
-"FSC231","","","","","","","","FSC231","","","","","","","","","","","","","","","","",NA,"PDBC01899","","Present"
-"968","","","","","","","","968","","","","","","","","","","","","","","","","",NA,"PDBC01900","","Present"
-"GSK4112","","","","","","","","GSK4112","","","","","","","","","","","","","","","","50905018",NA,"PDBC01901","","Present"
-"HC-067047","","","","","","","","HC-067047","","","","","","","","","","","","","","","","2742550",NA,"PDBC01902","","Present"
-"IPR-456","","","","","","","","IPR-456","","","","","","","","","","","","","","","","",NA,"PDBC01903","","Present"
-"Leptomycin B","","","","","","","","leptomycin B","","","","","","","","","","","","","","","","6917907",NA,"PDBC01904","","Present"
-"AZ-3146","","","","","","","","AZ-3146","","","","","","","","","","","","","AZ3146","","","56973724",NA,"PDBC01905","","Present"
-"VU0155056","","","","","","","","VU0155056","","","","","","","","","","","","","","","","",NA,"PDBC01906","","Present"
-"JQ-1:UNC0638 (2:1 mol/mol)","","","","","","","","JQ-1:UNC0638 (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01907","","Present"
-"vorinostat:carboplatin (1:1 mol/mol)","","","","","","","","vorinostat:carboplatin (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01908","","Present"
-"serdemetan:SCH-529074 (1:1 mol/mol)","","","","","","","","serdemetan:SCH-529074 (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01909","","Present"
-"selumetinib:PLX-4032 (8:1 mol/mol)","","","","","","","","selumetinib:PLX-4032 (8:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01910","","Present"
-"sirolimus:bortezomib (250:1 mol/mol)","","","","","","","","sirolimus:bortezomib (250:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01911","","Present"
-"BRD-K97651142","","","","","","","","BRD-K97651142","","","","","","","","","","","","","","","","",NA,"PDBC01912","","Present"
-"Vorapaxar","","","","","","","","vorapaxar","","","","","","","","","","","","","","","","10077130",TRUE,"PDBC01913","","Present"
-"BRD-K79669418","","","","","","","","BRD-K79669418","","","","","","","","","","","","","","","","",NA,"PDBC01914","","Present"
-"BRD-K99584050","","","","","","","","BRD-K99584050","","","","","","","","","","","","","","","","",NA,"PDBC01915","","Present"
-"BRD-A71883111","","","","","","","","BRD-A71883111","","","","","","","","","","","","","","","","",NA,"PDBC01916","","Present"
-"navitoclax:birinapant (1:1 mol/mol)","","","","","","","","navitoclax:birinapant (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01917","","Present"
-"ISOX:bortezomib (250:1 mol/mol)","","","","","","","","ISOX:bortezomib (250:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01918","","Present"
-"selumetinib:GDC-0941 (4:1 mol/mol)","","","","","","","","selumetinib:GDC-0941 (4:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01919","","Present"
-"selumetinib:tretinoin (2:1 mol/mol)","","","","","","","","selumetinib:tretinoin (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01920","","Present"
-"selumetinib:vorinostat (8:1 mol/mol)","","","","","","","","selumetinib:vorinostat (8:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01921","","Present"
-"selumetinib:BRD-A02303741 (4:1 mol/mol)","","","","","","","","selumetinib:BRD-A02303741 (4:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01922","","Present"
-"tretinoin:navitoclax (4:1 mol/mol)","","","","","","","","tretinoin:navitoclax (4:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01923","","Present"
-"decitabine:navitoclax (2:1 mol/mol)","","","","","","","","decitabine:navitoclax (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01924","","Present"
-"tretinoin:carboplatin (2:1 mol/mol)","","","","","","","","tretinoin:carboplatin (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01925","","Present"
-"Necrostatin-7","","","","","","","","necrostatin-7","","","","","","","","","","","","","","","","1239801",NA,"PDBC01926","","Present"
-"Lomeguatrib","","","","","","","","lomeguatrib","","","","","","","","","","","","Lomeguatrib","","","","3025944",NA,"PDBC01927","787251","Present"
-"tanespimycin:gemcitabine (1:1 mol/mol)","","","","","","","","tanespimycin:gemcitabine (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01928","","Present"
-"docetaxel:tanespimycin (2:1 mol/mol)","","","","","","","","docetaxel:tanespimycin (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01929","","Present"
-"selumetinib:MK-2206 (8:1 mol/mol)","","","","","","","","selumetinib:MK-2206 (8:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01930","","Present"
-"navitoclax:PLX-4032 (1:1 mol/mol)","","","","","","","","navitoclax:PLX-4032 (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01931","","Present"
-"selumetinib:piperlongumine (8:1 mol/mol)","","","","","","","","selumetinib:piperlongumine (8:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01932","","Present"
-"tanespimycin:bortezomib (250:1 mol/mol)","","","","","","","","tanespimycin:bortezomib (250:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01933","","Present"
-"navitoclax:MST-312 (1:1 mol/mol)","","","","","","","","navitoclax:MST-312 (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01934","","Present"
-"carboplatin:etoposide (40:17 mol/mol)","","","","","","","","carboplatin:etoposide (40:17 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01935","","Present"
-"piperlongumine:MST-312 (1:1 mol/mol)","","","","","","","","piperlongumine:MST-312 (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01936","","Present"
-"navitoclax:gemcitabine (1:1 mol/mol)","","","","","","","","navitoclax:gemcitabine (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01937","","Present"
-"JW-480","","","","","","","","JW-480","","","","","","","","","","","","","","","","57330099",NA,"PDBC01938","","Present"
-"BMS-195614","","","","","","","","BMS-195614","","","","","","","","","","","","","","","","445091",NA,"PDBC01939","","Present"
-"BRD-K07442505","","","","","","","","BRD-K07442505","","","","","","","","","","","","","","","","",NA,"PDBC01940","","Present"
-"BRD-K35604418","","","","","","","","BRD-K35604418","","","","","","","","","","","","","","","","",NA,"PDBC01941","","Present"
-"SB-743921","","","","","","","","SB-743921","","","","","","","","","","","","","SB-743921","","","9936388",NA,"PDBC01942","","Present"
-"Molibresib","","","","","","","","GSK525762A","","","","I-BET-762","","I-BET","I-BET-762","","","","","I-BET-762","I-BET-762","","","46943432",NA,"PDBC01943","774829","Present"
-"navitoclax:pluripotin (1:1 mol/mol)","","","","","","","","navitoclax:pluripotin (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01944","","Present"
-"JQ-1:carboplatin (1:1 mol/mol)","","","","","","","","JQ-1:carboplatin (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01945","","Present"
-"selumetinib:navitoclax (8:1 mol/mol)","","","","","","","","selumetinib:navitoclax (8:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01946","","Present"
-"selumetinib:decitabine (4:1 mol/mol)","","","","","","","","selumetinib:decitabine (4:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01947","","Present"
-"SNX-2112:bortezomib (250:1 mol/mol)","","","","","","","","SNX-2112:bortezomib (250:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01948","","Present"
-"JQ-1:MK-0752 (1:1 mol/mol)","","","","","","","","JQ-1:MK-0752 (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01949","","Present"
-"BRD-A02303741:navitoclax (2:1 mol/mol)","","","","","","","","BRD-A02303741:navitoclax (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01950","","Present"
-"salermide:PLX-4032 (12:1 mol/mol)","","","","","","","","salermide:PLX-4032 (12:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01951","","Present"
-"UNC0638:navitoclax (1:1 mol/mol)","","","","","","","","UNC0638:navitoclax (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01952","","Present"
-"BRD-A02303741:carboplatin (1:1 mol/mol)","","","","","","","","BRD-A02303741:carboplatin (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01953","","Present"
-"doxorubicin:navitoclax (2:1 mol/mol)","","","","","","","","doxorubicin:navitoclax (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01954","","Present"
-"selumetinib:UNC0638 (4:1 mol/mol)","","","","","","","","selumetinib:UNC0638 (4:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01955","","Present"
-"alisertib:navitoclax (2:1 mol/mol)","","","","","","","","alisertib:navitoclax (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01956","","Present"
-"navitoclax:sorafenib (1:1 mol/mol)","","","","","","","","navitoclax:sorafenib (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01957","","Present"
-"navitoclax:piperlongumine (1:1 mol/mol)","","","","","","","","navitoclax:piperlongumine (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01958","","Present"
-"SMER-3","","","","","","","","SMER-3","","","","","","","","","","","","","","","","568763",NA,"PDBC01959","","Present"
-"NVP-ADW742","","","","","","","","NVP-ADW742","","","","","","","NVP-ADW742","","NVP-ADW742","","","ADW-742","","","","9825149",NA,"PDBC01960","767746","Present"
-"Clofarabine","","","","","","","","clofarabine","","","","","","","","","","Clofarabine","Clofarabine  ","Clofarabine","clofarabine","Nc1nc(Cl)nc2n(cnc12)C3OC(CO)C(O)C3F","WDDPHFBMKLOVOX-UHFFFAOYSA-N","119182",TRUE,"PDBC01961","606869///759857","Present"
-"vorinostat:navitoclax (4:1 mol/mol)","","","","","","","","vorinostat:navitoclax (4:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01962","","Present"
-"XL765","","","","","","","","XL765","","","","","","","Voxtalisib","","","","","NSC755808///SAR-245409///Exelixis pI3K inhibitor","","","","49867926",NA,"PDBC01963","755808///768100///800992","Present"
-"ML258","","","","","","","","ML258","","","","","","","","","","","","","","","","53301938",NA,"PDBC01964","","Present"
-"SR1001","","","","","","","","SR1001","","","","","","","","","","","","","","","","44241473",NA,"PDBC01965","","Present"
-"BMS-270394","","","","","","","","BMS-270394","","","","","","","","","","","","","","","","445455",NA,"PDBC01966","","Present"
-"Azd4547","","","","","","","","AZD4547","","","","","","AZD-4547","AZD4547","","","","","AZD-4547","AZD4547","","","51039095",NA,"PDBC01967","799346///764239","Present"
-"Hyperforin","","","","","","","","hyperforin","","","","","","","","","","","","","","CC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O","","441298",NA,"PDBC01968","","Present"
-"NVP-231","","","","","","","","NVP-231","","","","","","NVP-231","","","","","","","","","","4096211",NA,"PDBC01969","","Present"
-"MK-0752","","","","","","","","MK-0752","","","","","","","","","","","","MK-0752///SRI-013070","","","","9803433",NA,"PDBC01970","762829///762832///762831","Present"
-"Semagacestat","","","","","","","","semagacestat","","","","","","","","","","","","Semagacestat","","","","9843750",NA,"PDBC01971","755982","Present"
-"Rigosertib","","","","","","","","rigosertib","","","","","","","","","","Rigosertib (ON 01910. Na)","","Rigosertib","rigosertib","","","6918736",NA,"PDBC01972","754344///800868","Present"
-"PD318088","","","","","","","","PD318088","","","","","","","","","","","","","PD-318088","","","10231331",NA,"PDBC01973","","Present"
-"KU-60019","","","","","","","","KU-60019","","","","","","","KU-60019","","","","","","","CC1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC(C)O1","","15953870",NA,"PDBC01974","","Present"
-"KW-2449","","","","","","","","KW-2449","","","","","","","","","KW-2449","","","KW-2449","KW-2449","","","11427553",NA,"PDBC01975","800778///759675","Present"
-"Silmitasertib","","","","","","","","silmitasertib","","","","","","","","","","","","Silmitasertib","CX-4945","","","24748573",NA,"PDBC01976","800885///761193","Present"
-"BRD-K03911514","","","","","","","","BRD-K03911514","","","","","","","","","","","","","","","","",NA,"PDBC01977","","Present"
-"BRD-K16130065","","","","","","","","BRD-K16130065","","","","","","","","","","","","","","","","",NA,"PDBC01978","","Present"
-"Momelotinib","","","","","","","","momelotinib","","","","","","CYT-387","","","CYT387","","","Momelotinib","cyt387","","","25062766",NA,"PDBC01979","767598///800800","Present"
-"Idelalisib","","","","","","","","CAL-101","CAL-101","","","CAL-101","","","Idelalisib","","Idelalisib","","","Idelalisib","idelalisib","","","11625818",NA,"PDBC01980","759224","Present"
-"Galunisertib","","","","","","","","LY-2157299","","","","","","","","","","","","Galunisertib","","","","10090485",NA,"PDBC01981","761216","Present"
-"Degrasyn","","","","","","","","WP1130","","","","","","","","","","","","","WP1130","","","11222830",NA,"PDBC01982","","Present"
-"Osi-027","","","","","","","","OSI-027","","","","OSI-027","","","OSI-027","","","","","OSI-027","OSI-027","COc1cccc2cc([nH]c12)-c1nc([C@@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12","","44224160",NA,"PDBC01983","800810///759660","Present"
-"NVP-BSK805","","","","","","","","NVP-BSK805","","","","","","","","","","","","","","","","46398810",NA,"PDBC01984","","Present"
-"erlotinib:PLX-4032 (2:1 mol/mol)","","","","","","","","erlotinib:PLX-4032 (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01985","","Present"
-"PIK-93","","","","","","","","PIK-93","","","","PIK-93","","","PIK-93","","","","","","","","","6852167",NA,"PDBC01986","","Present"
-"Birinapant","","","","","","","","birinapant","","","","","","","","","","","","Birinapant","birinapant","","","49836020",NA,"PDBC01987","767128","Present"
-"KX2-391","","","","","","","","KX2-391","","","","","","","","","","","","KX2-391///KX-01","KX2-391","","","23635314",NA,"PDBC01988","800779///756643","Present"
-"3-Cl-AHPC","","","","","","","","3-Cl-AHPC","","","","","","","","","","","","","","","","9866186",NA,"PDBC01989","","Present"
-"BRD-K58730230","","","","","","","","BRD-K58730230","","","","","","","","","","","","","","","","",NA,"PDBC01990","","Present"
-"BRD-K27188169","","","","","","","","BRD-K27188169","","","","","","","","","","","","","","","","",NA,"PDBC01991","","Present"
-"KHS101","","","","","","","","KHS101","","","","","","","","","","","","","","","","71304818",NA,"PDBC01992","","Present"
-"Turofexorate isopropyl","","","","","","","","WAY-362450","","","","","","","","","","","","","","","","10026128",NA,"PDBC01993","","Present"
-"JQ-1:vorinostat (2:1 mol/mol)","","","","","","","","JQ-1:vorinostat (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01994","","Present"
-"BRD-K13185470","","","","","","","","BRD-K13185470","","","","","","","","","","","","","","","","",NA,"PDBC01995","","Present"
-"crizotinib:PLX-4032 (2:1 mol/mol)","","","","","","","","crizotinib:PLX-4032 (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01996","","Present"
-"BRD-K27188169:navitoclax (2:1 mol/mol)","","","","","","","","BRD-K27188169:navitoclax (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC01997","","Present"
-"BRD-K03536150","","","","","","","","BRD-K03536150","","","","","","","","","","","","","","","","",NA,"PDBC01998","","Present"
-"BRD-K34222889","","","","","","","","BRD-K34222889","","","","","","","","","","","","","","","","",NA,"PDBC01999","","Present"
-"BRD-K09587429","","","","","","","","BRD-K09587429","","","","","","","","","","","","","","","","",NA,"PDBC02000","","Present"
-"Tandutinib","","","","","","","","tandutinib","","","","","","","","","Tandutinib (MLN518)","","","Tandutinib","tandutinib","COc1cc2c(ncnc2cc1OCCCN3CCCCC3)N4CCN(CC4)C(=O)Nc5ccc(OC(C)C)cc5","","3038522",NA,"PDBC02001","760841","Present"
-"TG-100-115","","","","","","","","TG-100-115","","","","","","","","","TG100-115","","","","TG100-115","Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1","","10427712",NA,"PDBC02002","","Present"
-"carboplatin:UNC0638 (2:1 mol/mol)","","","","","","","","carboplatin:UNC0638 (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC02003","","Present"
-"selumetinib:JQ-1 (4:1 mol/mol)","","","","","","","","selumetinib:JQ-1 (4:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC02004","","Present"
-"decitabine:carboplatin (1:1 mol/mol)","","","","","","","","decitabine:carboplatin (1:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC02005","","Present"
-"JQ-1:navitoclax (2:1 mol/mol)","","","","","","","","JQ-1:navitoclax (2:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC02006","","Present"
-"Elocalcitol","","","","","","","","elocalcitol","","","","","","","","","","","","","","","","11396600",NA,"PDBC02007","","Present"
-"Cabozantinib","","","","","","","","cabozantinib","","","","XL-184","","","Cabozantinib","","Cabozantinib","","","Cabozantinib","cabozantinib","","","25102847",TRUE,"PDBC02008","761068///800066///757436","Present"
-"BRD-K26531177","","","","","","","","BRD-K26531177","","","","","","","","","","","","","","","","",NA,"PDBC02009","","Present"
-"BMS-345541 free base","","","","","","","","BMS-345541","","","","BMS345541","","","BMS-345541","","BMS-345541","","","","BMS-345541","Cc1cnc2c(NCCN)nc3ccc(C)cc3n12","","9926054",NA,"PDBC02010","","Present"
-"Mdivi-1","","","","","","","","Mdivi-1","","","","","","","","","","","","","","","","3825829",NA,"PDBC02011","","Present"
-"Ki8751","","","","","","","","Ki8751","","","","","","","","","","","","","KI-8751","COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC","","11317348",NA,"PDBC02012","","Present"
-"Barasertib","","","","","","","","barasertib","","","","","","","","","Barasertib (AZD1152-HQPA)","Barasertib ( AZD1152)","","Barasertib","barasertib","CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1","","11497983",NA,"PDBC02013","757444","Present"
-"YL54","","","","","","","","YL54","","","","","","","","","","","","","","CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O","","",NA,"PDBC02014","","Present"
-"PF-184","","","","","","","","PF-184","","","","","","","","","","","","","","","","",NA,"PDBC02015","","Present"
-"AT7867","","","","","","","","AT7867","","","","","","","AT7867","","","","","","AT7867","Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1","","11175137",NA,"PDBC02016","","Present"
-"PD 153035","","","","","","","","PD 153035","","","","","","","","","","","","","PD-153035","","","4705",NA,"PDBC02017","","Present"
-"Tacedinaline","","","","","","","","tacedinaline","","","","","","","","","","","","","tacedinaline","CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2N","","2746",NA,"PDBC02018","","Present"
-"BRD-K09344309","","","","","","","","BRD-K09344309","","","","","","","","","","","","","","","","",NA,"PDBC02019","","Present"
-"Isonicotinohydroxamic acid","","","","","","","","isonicotinohydroxamic acid","","","","","","","","","","","","","","ONC(=O)c1ccncc1","","72967",NA,"PDBC02020","","Present"
-"LRRK2-IN-1","","","","","","","","LRRK2-IN-1","","","","","","","","","","","","","","","","46843906",NA,"PDBC02021","","Present"
-"KH-CB19","","","","","","","","KH-CB19","","","","","","","","","","","","","","","","44237094",NA,"PDBC02022","","Present"
-"KPT185","","","","","","","","KPT185","","","","","","","","","","","","KPT-185///NSC757568","KPT-185","","","53495165",NA,"PDBC02023","772595///757568","Present"
-"pitstop2","","","","","","","","pitstop2","","","","","","","","","","","","","","","","",NA,"PDBC02024","","Present"
-"Bemcentinib","","","","","","","","R428","","","","","","","","","","","","R-428","","","","46215462",NA,"PDBC02025","765262///824183","Present"
-"Ibrutinib","","","","","","","","ibrutinib","Ibrutinib","","","","","","Ibrutinib","","Ibrutinib (PCI-32765)","","","Ibrutinib","ibrutinib","Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C","","24821094",TRUE,"PDBC02026","800769///761910","Present"
-"Sotrastaurin","","","","","","","","sotrastaurin","","","","","","","","","","","","Sotrastaurin","","","","10296883",NA,"PDBC02027","766819","Present"
-"A-804598","","","","","","","","A-804598","","","","","","","","","","","","","","","","53325874",NA,"PDBC02028","","Present"
-"Incyclinide","","","","","","","","COL-3","","","","","","","","","","","","","","NC(=O)C1C(=O)C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C1=O","","54678924",NA,"PDBC02029","","Present"
-"Venetoclax","","","","","","","","ABT-199","","","","","","","Venetoclax///Venotoclax","","Venetoclax","ABT 199","","ABT-199","venetoclax","","","49846579",NA,"PDBC02030","766270","Present"
-"ETP-46464","","","","","","","","ETP-46464","","","","","","","","","","","","","ETP-46464","","","72199292",NA,"PDBC02031","","Present"
-"Marinopyrrole A","","","","","","","","marinopyrrole A","","","","","","","","","","","","maritoclax///Maritoclax","","","","24797083",NA,"PDBC02032","781008///775790","Present"
-"Methylstat","","","","","","","","methylstat","","","","","","","","","","","","","","","","",NA,"PDBC02033","","Present"
-"Alpelisib","","","","","","","","BYL-719","","BYL719","","","","","Alpelisib","","","","","BYL-719","alpelisib","","","56649450",NA,"PDBC02034","800065///765974","Present"
-"GSK2636771","","","","","","","","GSK2636771","GSK2636771","","","","","","","","","","","GSK-2636771","","","","56949517",NA,"PDBC02035","768508","Present"
-"JW-74","","","","","","","","JW-74","","","","","","","","","","","","","","","","",NA,"PDBC02036","","Present"
-"Necrosulfonamide","","","","","","","","necrosulfonamide","","","","","","","","","","","","","","","","1566236",NA,"PDBC02037","","Present"
-"HBX-41108","","","","","","","","HBX-41108","","","","","","HBX-41108","","","","","","","","","","",NA,"PDBC02038","","Present"
-"Palmostatin B","","","","","","","","palmostatin B","","","","","","","","","","","","","","","","45100481",NA,"PDBC02039","","Present"
-"JW-55","","","","","","","","JW-55","","","","","","","","","","","","","","","","2946601",NA,"PDBC02040","","Present"
-"AT-406","","","","","","","","AT-406","","","","","","","","","","","","SM-406","","","","25022340",NA,"PDBC02041","764757","Present"
-"WZ4002","","","","","","","","WZ4002","","","","","","WZ4002","","","","","","WZ-4002","WZ-4002","COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1","","44607530",NA,"PDBC02042","755927","Present"
-"ML334 diastereomer","","","","","","","","ML334 diastereomer","","","","","","","","","","","","","","","","",NA,"PDBC02043","","Present"
-"BRD-K55473186","","","","","","","","BRD-K55473186","","","","","","","","","","","","","","","","",NA,"PDBC02044","","Present"
-"VAF-347","","","","","","","","VAF-347","","","","","","","","","","","","","","","","",NA,"PDBC02045","","Present"
-"BRD-M00053801","","","","","","","","BRD-M00053801","","","","","","","","","","","","","","","","",NA,"PDBC02046","","Present"
-"BRD-K90370028","","","","","","","","BRD-K90370028","","","","","","","","","","","","","","","","",NA,"PDBC02047","","Present"
-"Cediranib","","","","","","","","cediranib","","","","","","","Cediranib","","Cediranib (AZD2171)","","","Cediranib","cediranib","COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1","","9933475",NA,"PDBC02048","755606","Present"
-"BRD-K48477130","","","","","","","","BRD-K48477130","","","","","","","","","","","","","","","","",NA,"PDBC02049","","Present"
-"Azd-1480","","","","","","","","AZD1480","","","","","","","AZD1480","","AZD1480","","","AZD-1480","AZD1480","CC(Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1","","16659841",NA,"PDBC02050","756648","Present"
-"BRD-A05715709","","","","","","","","BRD-A05715709","","","","","","","","","","","","","","","","",NA,"PDBC02051","","Present"
-"BRD-K99006945","","","","","","","","BRD-K99006945","","","","","","","","","","","","","","","","",NA,"PDBC02052","","Present"
-"Tivantinib","","","","","","","","tivantinib","Tivantinib","","","","","Tivantinib","","","","","","Tivantinib","tivantinib","O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23","","11494412",NA,"PDBC02053","758242///800951","Present"
-"RO4929097","","","","","","","","RO4929097","","","","","","RO4929097","","","","","","RO-4929097","","","","49867930",NA,"PDBC02054","756650","Present"
-"Dinaciclib","","","","","","","","dinaciclib","","","Dinaciclib","","","","Dinaciclib","","","","","Dinaciclib","dinaciclib","","","46926350",NA,"PDBC02055","800091///764036","Present"
-"MLN2480","","","","","","","","MLN2480","MLN_2480///MLN2480","","","","","","","","","","","MLN-2480","","","","25161177",NA,"PDBC02056","766906","Present"
-"BRD-K51831558","","","","","","","","BRD-K51831558","","","","","","","","","","","","","","","","",NA,"PDBC02057","","Present"
-"Istradefylline","","","","","","","","istradefylline","","","","","","","","","","","","","istradefylline","","","5311037",NA,"PDBC02058","","Present"
-"MI-2","","","","","","","","MI-2","MI-2","","","","","","","","","","","","","","","54765302",NA,"PDBC02059","","Present"
-"BRD-K42260513","","","","","","","","BRD-K42260513","","","","","","","","","","","","","","","","",NA,"PDBC02060","","Present"
-"Alvocidib","","","","","","","","alvocidib","","","","","","Flavopiridol","Flavopiridol","","Flavopiridol","","","Alvocidib","alvocidib","CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl","","5287969",NA,"PDBC02061","799330///649890","Present"
-"CBB-1007","","","","","","","","CBB-1007","","","","","","","","","","","","","","","","",NA,"PDBC02062","","Present"
-"BRD-A86708339","","","","","","","","BRD-A86708339","","","","","","","","","","","","","","","","",NA,"PDBC02063","","Present"
-"PF-03758309","","","","","","","","PF-3758309","","","","","","","","","","","","PF-03758309///PF-3758309","PF-03758309","","","25227462",NA,"PDBC02064","781470///800847","Present"
-"Dabrafenib","","","","","","","","dabrafenib","Dabrafenib","","","Dabrafenib","","","Dabrafenib","","","","","Dabrafenib","dabrafenib","CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F","","44462760",TRUE,"PDBC02065","764134","Present"
-"SZ4TA2","","","","","","","","SZ4TA2","","","","","","","","","","","","","","","","11657048",NA,"PDBC02066","","Present"
-"Onalespib","","","","","","","","AT13387","","","","","","","","","","","","AT-13387","AT13387","","","11955716",NA,"PDBC02067","749712///763579","Present"
-"BCL-LZH-4","","","","","","","","BCL-LZH-4","","","","","","","","","","","","","","","","",NA,"PDBC02068","","Present"
-"Skepinone-L","","","","","","","","skepinone-L","","","","","","","","","","","","","skepinone-l","","","45279963",NA,"PDBC02069","","Present"
-"PF 4800567 Hydrochloride","","","","","","","","PF-4800567 hydrochloride","","","","","","","","","","","","","","","","71751553",NA,"PDBC02070","","Present"
-"Avicin D","","","","","","","","avicin D","","","","","","","","","","","","","","CC1O[C@@H](OCC2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(C)(C)[C@H](C[C@@]6([C@H](O)C[C@@]54C)C(=O)O[C@@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)OC(=O)C(\CO)=C\CC[C@](C)(O[C@@H]4OC(C)[C@@H](OC(=O)C(\CO)=C\CCC(C)(O)C=C)[C@@H](O)[C@@H]4O)C=C)C3(C)C)[C@@H](NC(C)=O)[C@H](O)[C@@H]2O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O","","44566777",NA,"PDBC02071","","Present"
-"BRD-K33514849","","","","","","","","BRD-K33514849","","","","","","","","","","","","","","C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc4cc(C#Cc5ccncc5)ccc4S1(=O)=O","","",NA,"PDBC02072","","Present"
-"BRD-K01737880","","","","","","","","BRD-K01737880","","","","","","","","","","","","","","COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)Cc4ccc5OCOc5c4)[C@@H](C)CN([C@@H](C)CO)C(=O)c3c2)cc1","","",NA,"PDBC02073","","Present"
-"Bafilomycin A1","","","","","","","","bafilomycin A1","","","","","","","","","","","","","","","","6436223",NA,"PDBC02074","","Present"
-"SR8278","","","","","","","","SR8278","","","","","","","","","","","","","","","","53393127",NA,"PDBC02075","","Present"
-"GSK-J4","","","","","","","","GSK-J4","","","","","","","","","","","","","GSK-J4","","","71729975",NA,"PDBC02076","","Present"
-"BRD9876:MK-1775 (4:1 mol/mol)","","","","","","","","BRD9876:MK-1775 (4:1 mol/mol)","","","","","","","","","","","","","","","","",NA,"PDBC02077","","Present"
-"BRD-K30748066","","","","","","","","BRD-K30748066","","","","","","","","","","","","","","","","",NA,"PDBC02078","","Present"
-"bid1870","","","","","","","","","bid1870","","","","","BI-D1870","","","","","","BI-D1870","BI-D1870","","","",NA,"PDBC02079","747342","Present"
-"XMD15-27","","","","","","","","","","","","XMD15-27","","","XMD15-27","","","","","","","","","",NA,"PDBC02080","","Present"
-"NPK76-II-72-1","","","","","","","","","","","","NPK76-II-72-1","","","NPK76-II-72-1","","","","","","","COc1cc(ccc1Nc1ncc2N(C)C(=O)CC(C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1","","",NA,"PDBC02081","","Present"
-"YM201636","","","","","","","","","","","","YM201636","","","YM201636","","","","","","YM-201636","Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1","","9956222",NA,"PDBC02082","","Present"
-"Genentech Cpd 10","","","","","","","","","","","","Genentech Cpd 10","","","Genentech Cpd 10","","","","","","","","","",NA,"PDBC02083","","Present"
-"XMD14-99","","","","","","","","","","","","XMD14-99","","","XMD14-99","","","","","","","","","",NA,"PDBC02084","","Present"
-"THZ-2-49","","","","","","","","","","","","THZ-2-49","","","THZ-2-49","","","","","","","","","",NA,"PDBC02085","","Present"
-"VX-11e","","","","","","","","","","","","VX-11e","","","VX-11e","","","","","","","","","11634725",NA,"PDBC02086","","Present"
-"TL-1-85","","","","","","","","","","","","TL-1-85","","","TL-1-85","","","","","","","","","",NA,"PDBC02087","","Present"
-"MPS-1-IN-1","","","","","","","","","","","","MPS-1-IN-1","","","MPS-1-IN-1","","","","","","","","","",NA,"PDBC02088","","Present"
-"AR-42","","","","","","","","","","","","AR-42","","","AR-42","","","","","","AR-42","","","6918848",NA,"PDBC02089","","Present"
-"BX-912","","","","","","","","","","","","BX-912","","","BX-912","","","","","BX-912","BX-912","Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc4c[nH]cn4","","11754511",NA,"PDBC02090","758485","Present"
-"Y-39983","","","","","","","","","","","","Y-39983","","","Y-39983","","","","","","Y-39983","C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12","","9810884",NA,"PDBC02091","","Present"
-"NG-25","","","","","","","","","","","","NG-25","","","NG-25","","","","","","","","","53340664",NA,"PDBC02092","","Present"
-"Enzastaurin","","","","","","","","","","","","LY317615","","Enzastaurin","Enzastaurin","","","","","Enzastaurin","","","","176167",NA,"PDBC02093","767124","Present"
-"Tak-715","","","","","","","","","","","","TAK-715","","","TAK-715","","","","","","TAK-715","CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1","","9952773",NA,"PDBC02094","","Present"
-"Zibotentan","","","","","","","","","","","","Zibotentan","","Zibotentan","Zibotentan","","","","","","","COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(cc1)-c1nnco1","","9910224",NA,"PDBC02095","","Present"
-"BHG712","","","","","","","","","","","","BHG712","","","NVP-BHG712","","","","","","","","","",NA,"PDBC02096","","Present"
-"KIN001-055","","","","","","","","","","","","KIN001-055","","","WHI-P97","","","","","","","COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC","","",NA,"PDBC02097","","Present"
-"TL-2-105","","","","","","","","","","","","TL-2-105","","","TL-2-105","","","","","","","","","",NA,"PDBC02098","","Present"
-"JQ12","","","","","","","","","","","","JQ12","","","JQ12","","","","","","","","","",NA,"PDBC02099","","Present"
-"SB52334","","","","","","","","","","","","SB52334","","","SB52334","","","","","","","","","",NA,"PDBC02100","","Present"
-"FMK","","","","","","","","","","","","FMK","","","FMK","","","","","","","","","644243",NA,"PDBC02101","","Present"
-"NSC-207895","","","","","","","","","","","","NSC-207895","","","NSC-207895","","","","","wln: t56 bnonj bo fnw i- at6n dntj d1","","","","42640",NA,"PDBC02102","179940///207895","Present"
-"Cudc-101","","","","","","","","","","","","CUDC-101","","","CUDC-101","","","","","CUDC-101","CUDC-101","","","24756910",NA,"PDBC02103","800081","Present"
-"Amuvatinib","","","","","","","","","","","","MP470","","","Amuvatinib","","","","","Amuvatinib","","","","11282283",NA,"PDBC02104","754349","Present"
-"AS605240","","","","","","","","","","","","AS605240","","","AS605240","","","","","","","O=C1NC(=O)\C(S1)=C/c1ccc2nccnc2c1","","5289247",NA,"PDBC02105","","Present"
-"THZ-2-102-1","","","","","","","","","","","","THZ-2-102-1","","","THZ-2-102-1","","","","","","","","","",NA,"PDBC02106","","Present"
-"KIN001-244","","","","","","","","","","","","KIN001-244","","","KIN001-244","","","","","","","Fc1ccc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F","","",NA,"PDBC02107","","Present"
-"QL-XI-92","","","","","","","","","","","","QL-XI-92","","","QL-XI-92","","","","","","","","","",NA,"PDBC02108","","Present"
-"KIN001-236","","","","","","","","","","","","KIN001-236","","","KIN001-236","","","","","","","","","",NA,"PDBC02109","","Present"
-"QL-X-138","","","","","","","","","","","","QL-X-138","","","QL-X-138","","","","","","","","","",NA,"PDBC02110","","Present"
-"AT-7519","","","","","","","","","","","","AT-7519","","","AT-7519","","AT7519","","","AT-7519","AT-7519","Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1","","11338033",NA,"PDBC02111","773394///799338","Present"
-"VNLG/124","","","","","","","","","","","","VNLG/124","","","VNLG/124","","","","","","","","","",NA,"PDBC02112","","Present"
-"WZ3105","","","","","","","","","","","","WZ3105","","","WZ3105","","","","","","","","","",NA,"PDBC02113","","Present"
-"STF-62247","","","","","","","","","","","","STF-62247","","","STF-62247","","","","","","","Cc1cccc(Nc2nc(cs2)c3ccncc3)c1","","704473",NA,"PDBC02114","","Present"
-"KIN001-260","","","","","","","","","","","","KIN001-260","","","KIN001-260","","","","","","","","","",NA,"PDBC02115","","Present"
-"FR-180204","","","","","","","","","","","","FR-180204","","","FR-180204","","","","","","","Nc1[nH]nc2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1","","11493598",NA,"PDBC02116","","Present"
-"XMD13-2","","","","","","","","","","","","XMD13-2","","","XMD13-2","","","","","","","","","",NA,"PDBC02117","","Present"
-"Pelitinib","","","","","","","","","","","","EKB-569","","","Pelitinib","","Pelitinib (EKB-569)","","","Pelitinib","pelitinib","","","6445562",NA,"PDBC02118","800841","Present"
-"QL-XII-47","","","","","","","","","","","","QL-XII-47","","","QL-XII-47","","","","","","","","","",NA,"PDBC02119","","Present"
-"Alectinib","","","","","","","","","","","","CH5424802","","CH-5424802","Alectinib","","","","","Alectinib","alectinib","","","49806720",NA,"PDBC02120","799328///764821///764040","Present"
-"KIN001-266","","","","","","","","","","","","KIN001-266","","","KIN001-266","","","","","","","CCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1","","",NA,"PDBC02121","","Present"
-"KIN001-270","","","","","","","","","","","","KIN001-270","","","KIN001-270","","","","","","","","","",NA,"PDBC02122","","Present"
-"KIN001-102","","","","","","","","","","","","KIN001-102","","","","","","","","","","","","",NA,"PDBC02123","","Absent"
-"GSK429286A","","","","","","","","","","","","GSK429286A","","","GSK429286A","","","","","","GSK429286A","CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F","","11373846",NA,"PDBC02124","","Present"
-"HDAC6 Inhibitor","","","","","","","","","","","","CAY10603","","","CAY10603","","","","","","","","","24951314",NA,"PDBC02125","","Present"
-"JW-7-24-1","","","","","","","","","","","","JW-7-24-1","","","JW-7-24-1","","","","","","","","","",NA,"PDBC02126","","Present"
-"T0901317","","","","","","","","","","","","T0901317","","","T0901317","","","","","","","OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F","","447912",NA,"PDBC02127","","Present"
-"GW-2580","","","","","","","","","","","","GW-2580","","","GW-2580","","GW-2580","","","GW632580X","","","","11617559",NA,"PDBC02128","756292","Present"
-"HG-6-64-1","","","","","","","","","","","","HG-6-64-1","","","HG6-64-1","","","","","","","","","",NA,"PDBC02129","","Present"
-"CX-5461","","","","","","","","","","","","CX-5461","","","CX-5461","","","","","CX-5461","CX-5461","","","25257557",NA,"PDBC02130","782164","Present"
-"CP724714","","","","","","","","","","","","CP724714","","","CP724714","","","","","CP-724714","CP-724714","COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1","","9874913",NA,"PDBC02131","780042","Present"
-"BIX02189","","","","","","","","","","","","BIX02189","","","BIX02189","","","","","","","CN(C)Cc1cccc(N\C(c2ccccc2)=C2/C(=O)Nc3cc(ccc23)C(=O)N(C)C)c1","","46931012",NA,"PDBC02132","","Present"
-"CP466722","","","","","","","","","","","","CP466722","","","CP466722","","","","","","","COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OC","","44551660",NA,"PDBC02133","","Present"
-"IOX2","","","","","","","","","","","","IOX2","","","IOX2","","","","","","","","","54685215",NA,"PDBC02134","","Present"
-"UNC1215","","","","","","","","","","","","UNC1215","","","UNC1215","","","","","","","","","57339144",NA,"PDBC02135","","Present"
-"(5Z)-7-Oxozeaenol","","","","","","","","","","","","(5Z)-7-Oxozeaenol","","","(5Z)-7-Oxozeaenol","","","","","","","","","9863776",NA,"PDBC02136","","Present"
-"rTRAIL","","","","","","","","","","","","rTRAIL","","","rTRAIL","","","","","","","","","",NA,"PDBC02137","","Present"
-"PFI-1","","","","","","","","","","","","PFI-1","","","PFI-1","","","","","PFI-1///2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin...","PFI-1","","","71271629",NA,"PDBC02138","777448///768123","Present"
-"Talazoparib","","","","","","","","","","","","Talazoparib","","","Talazoparib","","","","","BMN-673","talazoparib","","","135565082",TRUE,"PDBC02139","765396///767125","Present"
-"XMD8-92","","","","","","","","","","","","XMD8-92","","","XMD8-92","","","","","","","CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1","","46843772",NA,"PDBC02140","","Present"
-"HG-5-113-01","","","","","","","","","","","","HG-5-113-01","","","HG-5-113-01","","","","","","","","","",NA,"PDBC02141","","Present"
-"XMD11-85h","","","","","","","","","","","","XMD11-85h","","","XMD11-85h","","","","","","","","","",NA,"PDBC02142","","Present"
-"Cetuximab","","","","Cetuximab","","","","","","","","Cetuximab","","","Cetuximab","","","","","Cetuximab","","","","85668777",TRUE,"PDBC02143","632307","Present"
-"SB 505124","","","","","","","","","","","","SB 505124","","","SB505124","","","","","","SB-505124","","","9858940",NA,"PDBC02144","","Present"
-"SGC0946","","","","","","","","","","","","SGC0946","","","SGC0946","","","","","","","","","56962337",NA,"PDBC02145","","Present"
-"QL-XII-61","","","","","","","","","","","","QL-XII-61","","","QL-XII-61","","","","","","","","","",NA,"PDBC02146","","Present"
-"Nutlin-3a (-)","","","","","","","","","","","","Nutlin-3a (-)","","","Nutlin-3a (-)","","","","","(-)-Nutlin-3","","","","",NA,"PDBC02147","756876","Present"
-"QL-VIII-58","","","","","","","","","","","","QL-VIII-58","","","QL-VIII-58","","","","","","","","","",NA,"PDBC02148","","Present"
-"HG-5-88-01","","","","","","","","","","","","HG-5-88-01","","","HG-5-88-01","","","","","","","","","",NA,"PDBC02149","","Present"
-"ZG-10","","","","","","","","","","","","ZG-10","","","ZG-10","","","","","","","","","",NA,"PDBC02150","","Present"
-"MK-4541","","","","","","","","","","","MK-4541","","","","","","","","","","","CC12CCC3C(C1CCC2NC(=O)OCC(F)(F)F)CCC4C3(C=CC(=O)N4C)C","OGBFNZPDLOPGEO-OCWMMRLVSA-N","59691338",NA,"PDBC02151","","Absent"
-"MK-5108","","","","","","","","","","","MK-5108","","","","","","","","","VX-689","MK-5108","C1CC(CCC1OC2=C(C(=CC=C2)Cl)F)(CC3=NC(=CC=C3)NC4=NC=CS4)C(=O)O","LCVIRAZGMYMNNT-UHFFFAOYSA-N","24748204",NA,"PDBC02152","773262","Present"
-"MK-8776","","","","","","","","","","","MK-8776","","","","MK-8776","","","","","SCH-900776","","CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)C4CCCNC4","GMIZZEXBPRLVIV-UHFFFAOYSA-N","16224745",NA,"PDBC02153","764659","Present"
-"L-00778123","","","","","","","","","","","L-00778,123","","","","","","","","","","","","","",NA,"PDBC02154","","Absent"
-"MRK-003","","","","","","","","","","","MRK-003","","","","","","","","","","","C1CC2CC3=C(CC1C24CN(S(=O)(=O)N4)CC(F)(F)F)C=CC(=C3)C=CCN5CCC(CC5)C(F)(F)F","NKHUILHBYOOZDF-UHTCYBPFSA-N","56841621",NA,"PDBC02155","","Absent"
-"Ridaforolimus","","","","","","","","","","","MK-8669","","","","","","","","","Deforolimius","deforolimus","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OP(=O)(C)C)C)C)O)OC)C)C)C)OC","BUROJSBIWGDYCN-GAUTUEMISA-N","11520894",NA,"PDBC02156","757440","Present"
-"Niraparib","","","","","","","","","","","MK-4827","","","","Niraparib","","","","","Niraparib","niraparib","C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N","PCHKPVIQAHNQLW-CQSZACIVSA-N","24958200",NA,"PDBC02157","754355","Present"
-"Busulfan","","","","","","","","","","","","","Busulfan","","","","","","","Busulfan","busulfan","CS(=O)(=O)OCCCCOS(=O)(=O)C","COVZYZSDYWQREU-UHFFFAOYSA-N","2478",TRUE,"PDBC02158","750","Present"
-"Mechlorethamine HCl (nitrogen mustard)","","","","","","","","","","","","","Mechlorethamine HCl (nitrogen mustard)","","","","","","","Nitrogen mustard","mechlorethamine","CN(CCCl)CCCl.Cl","QZIQJVCYUQZDIR-UHFFFAOYSA-N","5935",NA,"PDBC02159","757087///762","Present"
-"Allopurinol","","","","","","","","","","","","","Allopurinol","","","","","","","Allopurinol","","C1=C2C(=NC=NC2=O)NN1","OFCNXPDARWKPPY-UHFFFAOYSA-N","2094",TRUE,"PDBC02160","1390","Present"
-"Dactinomycin","","","","","","","","","","","","","Dactinomycin","Dactinomycin","Dactinomycin","","","","Dactinomycin","","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C","RJURFGZVJUQBHK-IIXSONLDSA-N","457193",TRUE,"PDBC02161","","Present"
-"Thiotepa","","","","","","","","","","","","","Thiotepa","","","","","","","Thiotepa","","C1CN1P(=S)(N2CC2)N3CC3","FOCVUCIESVLUNU-UHFFFAOYSA-N","5453",TRUE,"PDBC02162","6396","Present"
-"Melphalan","","","","","","","","","","","","","Melphalan","","","","","","","Melphalan","melphalan","C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl","SGDBTWWWUNNDEQ-LBPRGKRZSA-N","460612",TRUE,"PDBC02163","757098///8806","Present"
-"Triethylenemelamine","","","","","","","","","","","","","Triethylenemelamine","","","","","","Triethylenemelamine","Triethylenemelamine","","C1CN1C2=NC(=NC(=N2)N3CC3)N4CC4","IUCJMVBFZDHPDX-UHFFFAOYSA-N","5799",NA,"PDBC02164","9706","Present"
-"Aminolevulinic acid","","","","","","","","","","","","","Aminolevulinic Acid","","","","","","","Aminolevulinic acid","","C(CC(=O)O)C(=O)CN","ZGXJTSGNIOSYLO-UHFFFAOYSA-N","137",TRUE,"PDBC02165","18509","Present"
-"Mithramycin","","","","","","","","","","","","","Mithramycin","","","","","","Plicamycin","Mithramycin","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","CFCUWKMKBJTWLW-BKHRDMLASA-N","163659",NA,"PDBC02166","105024///143020///526598///24559","Present"
-"Pipobroman","","","","","","","","","","","","","Pipobroman","","","","","","","Pipobroman","","C1CN(CCN1C(=O)CCBr)C(=O)CCBr","NJBFOOCLYDNZJN-UHFFFAOYSA-N","4842",TRUE,"PDBC02167","25154","Present"
-"Floxuridine","","","","5-FdUR","","","","","","","","","Floxuridine","","","","","","","Floxuridine","floxuridine","C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O","ODKNJVUHOIMIIZ-RRKCRQDMSA-N","5790",TRUE,"PDBC02168","758230///27640","Present"
-"Hydroxyurea","","","","","","","","","","","","","Hydroxyurea","","","","","","","Hydroxyurea","hydroxyurea","C(=O)(N)NO","VSNHCAURESNICA-UHFFFAOYSA-N","3657",TRUE,"PDBC02169","32065","Present"
-"Uracil mustard","","","","","","","","","","","","","Uracil mustard","","","","","","","Uracil mustard","","C1=C(C(=O)NC(=O)N1)N(CCCl)CCCl","IDPUKCWIGUEADI-UHFFFAOYSA-N","6194",TRUE,"PDBC02170","34462","Present"
-"Mitotane","","","","","","","","","","","","","Mitotane","","","","","","","Mitotane","","C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl","JWBOIMRXGHLCPP-UHFFFAOYSA-N","4211",TRUE,"PDBC02171","38721","Present"
-"Trisenox","","","","","","","","","","","","","Arsenic Trioxide","","","","","","","","","O=[As]O[As]=O","IKWTVSLWAPBBKU-UHFFFAOYSA-N","261004",TRUE,"PDBC02172","","Absent"
-"Cladribine","","","","","","","","","","","","","Cladribine","","","","","cladribine","","Cladribine","cladribine","C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O","PTOAARAWEBMLNO-KVQBGUIXSA-N","20279",TRUE,"PDBC02173","105014","Present"
-"2-fluoroAraA (fludarabine)","","","","","","","","","","","","","2-fluoroAraA (fludarabine)","","Fludarabine","","","Fludarabine","","","fludarabine","C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)F","HBUBKKRHXORPQB-FJFJXFQQSA-N","657237",NA,"PDBC02174","","Present"
-"Dexrazoxane","","","","","","","","","","","","","Dexrazoxane","","","","","","","Dexrazoxane","dexrazoxane","CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","BMKDZUISNHGIBY-ZETCQYMHSA-N","71384",TRUE,"PDBC02175","169780","Present"
-"Pentostatin","","","","","","","","","","","","","Pentostatin","","","","","","","PENTOSTATIN","pentostatin","C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O","FPVKHBSQESCIEP-JQCXWYLXSA-N","439693",TRUE,"PDBC02176","218321","Present"
-"Valrubicin","","","","","","","","","","","","","Valrubicin","","","","","","","Valrubicin","valrubicin","CCCCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O","ZOCKGBMQLCSHFP-KQRAQHLDSA-N","454216",TRUE,"PDBC02177","246131","Present"
-"Amifostine","","","","","","","","","","","","","Amifostine","","","","","","","Amifostine","","C(CN)CNCCSP(=O)(O)O","JKOQGQFVAUAYPM-UHFFFAOYSA-N","2141",TRUE,"PDBC02178","296961","Present"
-"Imiquimod","","","","","","","","","","","","","Imiquimod","","","","","","","Imiquimod","imiquimod","CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N","DOUYETYNHWVLEO-UHFFFAOYSA-N","57469",TRUE,"PDBC02179","369100","Present"
-"Estramustine phosphate","","","","","","","","","","","","","Estramustine phosphate","","","","","","","NSC702294///NSC89201","estramustine-phosphate///estramustine","CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl","ADFOJJHRTBFFOF-RBRWEJTLSA-N","259329",TRUE,"PDBC02180","702294///89201","Present"
-"Eribulin","","","","","","","","","","","","","Eribulin","","","","","","","","","CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O","UFNVPOGXISZXJD-JBQZKEIOSA-N","11354606",TRUE,"PDBC02181","","Absent"
-"Capecitabine","","","","","","","","","","","","","Capecitabine","","","","","","","Capecitabine","capecitabine","CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O","GAGWJHPBXLXJQN-UORFTKCHSA-N","60953",TRUE,"PDBC02182","712807","Present"
-"Anastrozole","","","","","","","","","","","","","Anastrozole","","","","","","","Anastrozole","anastrozole","CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N","YBBLVLTVTVSKRW-UHFFFAOYSA-N","2187",TRUE,"PDBC02183","719344","Present"
-"Zolendronic Acid","","","","","","","","","","","","","Zolendronic Acid","","Zoledronate","","","","","Zoledronate","","C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O","XRASPMIURGNCCH-UHFFFAOYSA-N","68740",NA,"PDBC02184","721517","Present"
-"Romidepsin","","","","","","","","","","","","","Romidepsin","","","","","","Romdiepsin","Depsipeptide","romidepsin","CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C","OHRURASPPZQGQM-GCCNXGTGSA-N","5352062",TRUE,"PDBC02185","754143///630176","Present"
-"Pralatrexate","","","","","","PNU-74654","","","","","","","Pralatrexate","PNU 74654","","","","","","pralatrexate///Pralatrexate","pralatrexate","C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","OGSBUKJUDHAQEA-WMCAAGNKSA-N","148121",TRUE,"PDBC02186","754230///755984","Present"
-"Cabazitaxel","","","","","","","","","","","","","Cabazitaxel","","","","","","Cabazitaxel  ","Cabazitaxel","cabazitaxel","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC","BMQGVNUXMIRLCK-OAGWZNDDSA-N","9854073",TRUE,"PDBC02187","761432","Present"
-"CIP 13-74","","","","","","","","","","","","","","CIP 13-74","","","","","","","","","","",NA,"PDBC02188","","Absent"
-"BX 513","","","","","","","","","","","","","","BX 513","","","","","","","","","","",NA,"PDBC02189","","Absent"
-"BRD-7389","","","","","","","","","","","","","","BRD-7389","","","","","","","","C1=CC=C(C=C1)CCNC2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)NC2=O","XASCINRGTHLHGM-UHFFFAOYSA-N","1080352",NA,"PDBC02190","","Absent"
-"Sapitinib","","","","","","","","","","","","","","AZD-8931","Sapatinib///Sapitinib///AZD8931","","","","","Sapitinib","AZD8931","CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC","DFJSJLGUIXFDJP-UHFFFAOYSA-N","11488320",NA,"PDBC02191","800876///758005","Present"
-"JK-184","","","","","","","","","","","","","","JK-184","","","","","","","JK-184","CCCCCCC1=C(SC2=C1SC(=C2CCCCCC)C3=C4C(=C(S3)C5=CC=C(C=C5)N(C6=CC7=C(C=C6)C8=C(C7(C)C)C=C(C=C8)OCCCCCC)C9=CC1=C(C=C9)C2=C(C1(C)C)C=C(C=C2)OCCCCCC)OCCO4)C=C(C#N)C(=O)O","NFNSIXSJBWNFOO-KZMWYPEZSA-N","102041119",NA,"PDBC02192","","Present"
-"Hydroxychloroquine sulfate","","","","","","","","","","","","","","Hydroxychloroquine sulfate","","","","","","Hydroxychloroquine Sulfate","","CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O","JCBIVZZPXRZKTI-UHFFFAOYSA-N","12947",TRUE,"PDBC02193","4375","Present"
-"MK2a Inhibitor","","","","","","","","","","","","","","CMPD-1","","","","","","","CMPD-1","C1=CC=C(C(=C1)C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)O)F","ODYAQBDIXCVKAE-UHFFFAOYSA-N","11382492",NA,"PDBC02194","","Present"
-"Nelfinavir","","","","Nelfinavir","","","","","","","","","","Nelfinavir","","","","","NELFINAVIR MESYLATE","Nelfinavir","","CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O","QAGYKUNXZHXKMR-HKWSIXNMSA-N","64143",TRUE,"PDBC02195","747167///722664","Present"
-"Syk Inhibitor","","","","","","","","","","","","","","Syk Inhibitor","","","","","","","","CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC(=C4)S(=O)(=O)N)NC3=O","MLKHXLFEYOOYEY-NVNXTCNLSA-N","6419747",NA,"PDBC02196","","Absent"
-"Stattic","","","","","","","","","","","","","","Stattic","","","","","","","stattic","C1=CC(=CC2=C1C=CS2(=O)=O)[N+](=O)[O-]","ZRRGOUHITGRLBA-UHFFFAOYSA-N","2779853",NA,"PDBC02197","","Present"
-"Ritonavir","","","","","","","","","","","","","","Ritonavir","","","","","","norvir","","CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O","NCDNCNXCDXHOMX-XGKFQTDJSA-N","392622",TRUE,"PDBC02198","693184","Present"
-"Bay-11-7082","","","","","","","","","","","","","","Bay-11-7082","","","","","","","BAY-11-7082","CC1=CC=C(C=C1)S(=O)(=O)C=CC#N","DOEWDSDBFRHVAP-KRXBUXKQSA-N","5353431",NA,"PDBC02199","","Present"
-"Atorvastatin","","","","","","","","","","","","","","Atorvastatin","","","","","Atorvastatin","","atorvastatin","CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4","XUKUURHRXDUEBC-KAYWLYCHSA-N","60823",TRUE,"PDBC02200","","Present"
-"5-nonyloxytryptamine oxalate","","","","","","","","","","","","","","5-nonyloxytryptamine oxalate","","","","","5-Nonyloxytryptamine oxalate","","","CCCCCCCCCOC1=CC2=C(C=C1)NC=C2CCN.C(=O)(C(=O)O)O","JORSCLBFSAAOFR-UHFFFAOYSA-N","10126593",NA,"PDBC02201","","Absent"
-"Carfilzomib","","","","","","","","","","","","","","Carfilzomib","","","","","carfilzomib","Carfilzomib","carfilzomib","CC(C)CC(C(=O)C1(CO1)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCC3=CC=CC=C3)NC(=O)CN4CCOCC4","BLMPQMFVWMYDKT-NZTKNTHTSA-N","11556711",TRUE,"PDBC02202","758252","Present"
-"IMD 0354","","","","","","","","","","","","","","IMD 0354","IMD-0354","","","","","IMD-0354","IKK-2-inhibitor-V","C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O","CHILCFMQWMQVAL-UHFFFAOYSA-N","5081913",NA,"PDBC02203","800773","Present"
-"I-BET","","","","","","","","","","","","","","I-BET","","","","","","","","","","",NA,"PDBC02204","","Absent"
-"GGTI-298","","","","","","","","","","","","","","GGTI-298","","","","","","","GGTI-298","CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC3=CC=CC=C32","XVWPFYDMUFBHBF-CLOONOSVSA-N","9811606",NA,"PDBC02205","","Present"
-"Efavirenz","","","","","","","","","","","","","","Efavirenz","","","","","","","","C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F","XPOQHMRABVBWPR-ZDUSSCGKSA-N","64139",TRUE,"PDBC02206","","Absent"
-"ES 936","","","","","","","","","","","","","","ES 936","","","","","","","","CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC3=CC=C(C=C3)[N+](=O)[O-]","IBLWSLZYYZHSRG-UHFFFAOYSA-N","4470790",NA,"PDBC02207","","Absent"
-"Dapagliflozin","","","","","","","","","","","","","","Dapagliflozin","","","","","","","","CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl","JVHXJTBJCFBINQ-ADAARDCZSA-N","9887712",TRUE,"PDBC02208","","Absent"
-"PF3644022","","","","","","","","","","","","","","PF3644022","","","","","","","","CC1CNC2=C(C(=O)N1)SC3=C2C4=C(C=C3)N=C(C=C4)C5=CN=C(C=C5)C","CMWRPDHVGMHLSZ-GFCCVEGCSA-N","44631903",NA,"PDBC02209","","Absent"
-"PF 431396","","","","","","","","","","","","","","PF 431396","","","","","","","","CN(C1=CC=CC=C1CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C","POJZIZBONPAWIV-UHFFFAOYSA-N","11598628",NA,"PDBC02210","","Absent"
-"PF 429242","","","","","","","","","","","","","","PF 429242","","","","","","","","CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)C3CCNC3","XKPJTOHUPQWSOJ-UHFFFAOYSA-N","44433028",NA,"PDBC02211","","Absent"
-"NH125","","","","","","","","","","","","","","NH125","","","","","","NH125","NH125","CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[I-]","RVWOHCBHAGBLLT-UHFFFAOYSA-M","10436839",NA,"PDBC02212","717205","Present"
-"Nodinitib-1","","","","","","","","","","","","","","ML 130","","","","","","","","CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N","SRFABRWQVPCPRG-UHFFFAOYSA-N","1088438",NA,"PDBC02213","","Absent"
-"KP372-1","","","","","","","","","","","","","","KP372-1","","","","","","","","O=C(C1=C2C=CC=C1)C(C2=N3)=NN4C3=NN=N4.O=C5C6=NC7=NN=NN7N=C6C8=C5C=CC=C8","CWFOAASSUQIXOW-UHFFFAOYSA-N","",NA,"PDBC02214","","Absent"
-"Triapine","","","","","","","","","","","","","","Triapine","","","","","","Triapine","triapine","C1=CC(=C(N=C1)C=NNC(=S)N)N","XMYKNCNAZKMVQN-NYYWCZLTSA-N","9571836",NA,"PDBC02215","759096///663249","Present"
-"SB 218078","","","","","","","","","","","","","","SB 218078","","","","","","","SB-218078","C1CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C1O2)C7=C53)C(=O)NC6=O","OTPNDVKVEAIXTI-UHFFFAOYSA-N","3387354",NA,"PDBC02216","","Present"
-"Bromopyruvic acid","","","","Bromopyruvate","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02217","","Present"
-"Methyl Glyoxol","","","","Methyl Glyoxol","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02218","","Present"
-"Z-LL-Nva-CHO","","","","MG-115///Z-Leu-Leu-Norvalinal","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02219","","Present"
-"TPT","","","","TPT(FD)///TPT","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02220","","Present"
-"Trastuzumab","","","","Herceptin///trastuzumab","","","","","","herceptin","","","","","","","","","","Trastuzumab","","","","",TRUE,"PDBC02221","688097","Present"
-"UO126","","","","UO126","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02222","","Present"
-"PS-1145","","","","PS-1145","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02223","","Present"
-"Tyrphostin AG 1024","","","","AG1024","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02224","","Present"
-"GW5074","","","","GW5074","","","","","","","","","","","","","","","","GW-5074","","","","",NA,"PDBC02225","755765","Present"
-"Ilomastat","","","","GM6001","","","","","","","","","","","","","","","","GM 6001","ilomastat","CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC","NITYDPDXAAFEIT-DYVFJYSZSA-N","132519",NA,"PDBC02226","727632","Present"
-"QNZ","","","","QNZ","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02227","","Present"
-"TAPI-0","","","","TAPI-0///IC-1","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02228","","Present"
-"2C4","","","","2C4///Pertuzumab","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02229","","Present"
-"L779450","","","","Rafi IV (L779450)///Rafi IV///L779450","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02230","","Present"
-"Chk2 Inhibitor II","","","","Chk2 inhibitor II","","","","","","","","","","","","","","","","BML-277","","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)N)OC4=CC=C(C=C4)Cl","UXGJAOIJSROTTN-UHFFFAOYSA-N","9969021",NA,"PDBC02231","741899","Present"
-"Ro 32-0432","","","","Ro 32-0432","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02232","","Present"
-"TCS JNK 5a","","","","JNK Inhibitor IX///TCS JNK 5a","","","","","","","","","","","","","","","","GW620972X","","","","",NA,"PDBC02233","756282","Present"
-"PP242 hydrate","","","","PP242 hydrate","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02234","","Present"
-"Omacetaxine mepesuccinate","","","","","","","","omacetaxine///omacetaxine mepesuccinate","","","","","","","","","","","","Homoharringtonine","homoharringtonine","","","",TRUE,"PDBC02235","758253///141633","Present"
-"mepesuccinate","","","","","","","","","","","","","","","","","","","","","","","","",NA,"PDBC02236","","Absent"
-"UNC0642","","","","","","","","","","UNC0642","","","","","UNC0642","","","","","","","","","",NA,"PDBC02237","","Present"
-"I-Bet151 (gsk1210151A)","","","","","","","","I-BET151","","","","","","","","","","","","","","","","",NA,"PDBC02238","","Present"
-"G02953142","","","","","","","","","G02953142","","","","","","","","","","","","","","","",NA,"PDBC02239","","Absent"
-"A-83-01","","","","","","","","","","","","","","","A-83-01","","","","","","","CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5","HIJMSZGHKQPPJS-UHFFFAOYSA-N","16218924",NA,"PDBC02240","","Present"
-"ACY-1215","","","","","","","","","","","","","","","ACY-1215","","","","","Rocilinostat","ACY-1215","C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO","QGZYDVAGYRLSKP-UHFFFAOYSA-N","53340666",FALSE,"PDBC02241","767952","Present"
-"Afuresertib","","","","","","","","","","","","","","","Afuresertib","","","","","Afuresertib///GSK-2110183","GSK2110183","CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)NC(CC3=CC(=CC=C3)F)CN)Cl","AFJRDFWMXUECEW-LBPRGKRZSA-N","46843057",FALSE,"PDBC02242","778305///800109","Present"
-"AGI-5198","","","","","","","","","","","","","","","AGI-5198","","","","","IDH-C35","","CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C","FNYGWXSATBUBER-UHFFFAOYSA-N","56645356",FALSE,"PDBC02243","773096","Present"
-"AGI-6780","","","","","","","","","","","","","","","AGI-6780","","","","","AGI-6780","","C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F","CCAWRGNYALGPQH-UHFFFAOYSA-N","71299339",FALSE,"PDBC02244","781409","Present"
-"AMG-319","","","","","","","","","","","","","","","AMG-319","","","","","AMG-319","","CC(C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5","KWRYMZHCQIOOEB-LBPRGKRZSA-N","68947304",FALSE,"PDBC02245","787137","Present"
-"Ara-G","","","","","","","","","","","","","","","Ara-G","","","","","Ara-G","","C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N","NYHBQMYGNKIUIF-FJFJXFQQSA-N","135499520",TRUE,"PDBC02246","76352","Present"
-"ARRY-520","","","","","","","","","","","","","","","ARRY-520","","","","","","filanesib","CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC","LLXISKGBWFTGEI-FQEVSTJZSA-N","44224257",FALSE,"PDBC02247","","Present"
-"AST-1306","","","","","","","","","","","","","","","AST-1306","","","","","","AST-1306","C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","MVZGYPSXNDCANY-UHFFFAOYSA-N","24739943",FALSE,"PDBC02248","","Present"
-"AT13148","","","","","","","","","","","","","","","AT13148","","","","","AT-13148","","C1=CC(=CC=C1C2=CNN=C2)C(CN)(C3=CC=C(C=C3)Cl)O","IIRWNGPLJQXWFJ-KRWDZBQOSA-N","24905401",FALSE,"PDBC02249","799337///771650","Present"
-"AZ6102","","","","","","","","","","","","","","","AZ6102","","","","","","","CC1CN(CC(N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4","WCPTUQOMNJBIET-CALCHBBNSA-N","135905416",FALSE,"PDBC02250","","Present"
-"AZ960","","","","","","","","","","","","","","","AZ960","","","","","","AZ960","CC1=CC(=NN1)NC2=C(C=C(C(=N2)NC(C)C3=CC=C(C=C3)F)C#N)F","SUNXHXDJOIXABJ-NSHDSACASA-N","25099184",FALSE,"PDBC02251","","Present"
-"AZD3759","","","","","","","","","","","","","","","AZD3759","","","","","AZD-3759","","CC1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C","MXDSJQHFFDGFDK-CYBMUJFWSA-N","78209992",FALSE,"PDBC02252","788121","Present"
-"AZD5582","","","","","","","","","","","","","","","AZD5582","","","","","azd5582","","CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3C(CC4=CC=CC=C34)OCC#CC#CCOC5CC6=CC=CC=C6C5NC(=O)C7CCCN7C(=O)C(C8CCCCC8)NC(=O)C(C)NC)NC","WLMCRYCCYXHPQF-ZVMUOSSASA-N","49847690",FALSE,"PDBC02253","787048","Present"
-"AZD6738","","","","","","","","","","","","","","","AZD6738","","","","","AZD-6738","","CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4","OHUHVTCQTUDPIJ-JYCIKRDWSA-N","54761306",FALSE,"PDBC02254","800979///777638///780249","Present"
-"AZD8186","","","","","","","","","","","","","","","AZD8186","","","","","AZD-8186","","CC(C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F","LMJFJIDLEAWOQJ-CQSZACIVSA-N","52913813",FALSE,"PDBC02255","777572","Present"
-"BAM7","","","","","","","","","","","","","","","BAM7","","","","","BAM7","BAM7","CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C","WRLVHADVOGFZOZ-UHFFFAOYSA-N","3101542",FALSE,"PDBC02256","768536","Present"
-"BDP-00009066","","","","","","","","","","","","","","","BDP-00009066","","","","","","","","","",FALSE,"PDBC02257","","Present"
-"BPD-00008900","","","","","","","","","","","","","","","BPD-00008900","","","","","","","","","",FALSE,"PDBC02258","","Present"
-"Buparlisib","","","","","","","","","","","","","","","Buparlisib","","","BKM120","","Buparlisib","buparlisib","C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4","CWHUFRVAEUJCEF-UHFFFAOYSA-N","16654980",FALSE,"PDBC02259","754353///799370","Present"
-"CAP-232, TT-232, TLN-232","","","","","","","","","","","","","","","CAP-232, TT-232, TLN-232","","","","","","","CC(C(C(=O)N)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)O","SNAJPQVDGYDQSW-DYCFWDQMSA-N","6918265",FALSE,"PDBC02260","","Present"
-"CAY10566","","","","","","","","","","","","","","","CAY10566","","","","","","","CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl","WFOFPVXMPTVOTJ-UHFFFAOYSA-N","16732433",FALSE,"PDBC02261","","Present"
-"CD532","","","","","","","","","","","","","","","CD532","","","","","","","C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F","GBMIFBVLJSCVJT-UHFFFAOYSA-N","77232197",FALSE,"PDBC02262","","Present"
-"CPI-613","","","","","","","","","","","","","","","CPI-613","","","","","BBOA","","C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2","ZYRLHJIMTROTBO-UHFFFAOYSA-N","24770514",FALSE,"PDBC02263","766888","Present"
-"CZC24832","","","","","","","","","","","","","","","CZC24832","","","","","","","CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F","RXRZPHQBTHQXSV-UHFFFAOYSA-N","42623951",FALSE,"PDBC02264","","Present"
-"A-484954","","","","","","","","","","","","","","","eEF2K Inhibitor, A-484954","","","","","","","CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N","HWODCHXORCTEGU-UHFFFAOYSA-N","14998470",FALSE,"PDBC02265","","Present"
-"Elephantin","","","","","","","","","","","","","","","Elephantin","","","","","Elephantin","","CC(=CC(=O)OC1CC2=CC(CC3(C(O3)C4C1C(=C)C(=O)O4)C)OC2=O)C","HSTUUCOYVIWGLJ-DXUAHVLSSA-N","442205",FALSE,"PDBC02266","102817","Present"
-"Entospletinib","","","","","","","","","","","","","","","Entospletinib","","Entospletinib (GS-9973)","","","entosplenitib","GS-9973","C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6","XSMSNFMDVXXHGJ-UHFFFAOYSA-N","59473233",FALSE,"PDBC02267","781516","Present"
-"EPZ004777","","","","","","","","","","","","","","","EPZ004777","","","","","EPZ-004777","","CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)CC2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)O","WXRGFPHDRFQODR-ICLZECGLSA-N","56962336",FALSE,"PDBC02268","780043","Present"
-"EPZ5676","","","","","","","","","","","","","","","EPZ5676","","","EPZ-5676","","EPZ-5676","EPZ-5676","CC(C)N(CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C","LXFOLMYKSYSZQS-XKHGBIBOSA-N","57345410",FALSE,"PDBC02269","778365","Present"
-"ETP-45835","","","","","","","","","","","","","","","ETP-45835","","","","","","","C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl","ASYCTHXAPLLLSZ-UHFFFAOYSA-N","71755761",FALSE,"PDBC02270","","Present"
-"GDC0810","","","","","","","","","","","","","","","GDC0810","","","","","GDC-0810","","CCC(=C(C1=CC=C(C=C1)C=CC(=O)O)C2=CC3=C(C=C2)NN=C3)C4=C(C=C(C=C4)F)Cl","BURHGPHDEVGCEZ-KJGLQBJMSA-N","56941241",FALSE,"PDBC02271","787326","Present"
-"GNE-317","","","","","","","","","","","","","","","GNE-317","","","","","","","CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC","XOZLHJMDLKDZAL-UHFFFAOYSA-N","70676303",FALSE,"PDBC02272","","Present"
-"GSK2578215A","","","","","","","","","","","","","","","GSK2578215A","","","","","","","C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4","WCIGMFCFPXZRMQ-UHFFFAOYSA-N","68107965",FALSE,"PDBC02273","","Present"
-"GSK2606414","","","","","","","","","","","","","","","GSK2606414","","","","","GSK-2606414","","CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F","SIXVRXARNAVBTC-UHFFFAOYSA-N","53469448",FALSE,"PDBC02274","781627","Present"
-"GSK343","","","","","","","","","","","","","","","GSK343","","","","","","","CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C","ULNXAWLQFZMIHX-UHFFFAOYSA-N","71268957",FALSE,"PDBC02275","","Present"
-"GSK591","","","","","","","","","","","","","","","GSK591","","","","","","","C1CC(C1)NC2=NC=CC(=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)O","TWKYXZSXXXKKJU-FQEVSTJZSA-N","117072552",FALSE,"PDBC02276","","Present"
-"I-BRD9","","","","","","","","","","","","","","","I-BRD9","","","","","","","CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F","WRUWGLUCNBMGPS-UHFFFAOYSA-N","91668541",FALSE,"PDBC02277","","Present"
-"ICL1100013","","","","","","","","","","","","","","","ICL1100013","","","","","","","","","",FALSE,"PDBC02278","","Present"
-"Ipatasertib","","","","","","","","","","","","","","","Ipatasertib","","","","","GDC-0068///Ipatasertib","GDC-0068","CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)C)C4=CC=C(C=C4)Cl)O","GRZXWCHAXNAUHY-NSISKUIASA-N","24788740",FALSE,"PDBC02279","800986///767898","Present"
-"JNJ38877605","","","","","","","","","","","","","","","JNJ38877605","","JNJ-38877605","","","JNJ-38877605","","CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2","JRWCBEOAFGHNNU-UHFFFAOYSA-N","46911863",FALSE,"PDBC02280","759095","Present"
-"kb NB 142-70","","","","","","","","","","","","","","","kb NB 142-70","","","","","","","C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O","DHUAGGSHTKPOHU-UHFFFAOYSA-N","45258277",FALSE,"PDBC02281","","Present"
-"KIN001-042","","","","","","","","","","","","","","","KIN001-042","","","","","","","C1=CC(=CC(=C1)I)CSC2=NN=C(O2)C3=CC=NC=C3","ZRHRPGSSSVYBRG-UHFFFAOYSA-N","6539732",FALSE,"PDBC02282","","Present"
-"Kobe2602","","","","","","","","","","","","","","","Kobe2602","","","","","","","C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F","NNPBSITXCGPXJC-UHFFFAOYSA-N","3827738",FALSE,"PDBC02283","","Present"
-"KRAS (G12C) Inhibitor-12","","","","","","","","","","","","","","","KRAS (G12C) Inhibitor-12","","","","","","","","","",FALSE,"PDBC02284","","Present"
-"LCL161","","","","","","","","","","","","","","","LCL161","","","","","LCL-161","LCL-161","CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC","UFPFGVNKHCLJJO-SSKFGXFMSA-N","24737642",FALSE,"PDBC02285","772868","Present"
-"LGK974","","","","","","","","","","","","","","","LGK974","","","","","LGK-974","","CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4","XXYGTCZJJLTAGH-UHFFFAOYSA-N","46926973",FALSE,"PDBC02286","777639","Present"
-"LIMK1 inhibitor BMS4","","","","","","","","","","","","","","","LIMK1 inhibitor BMS4","","","","","","","","","",FALSE,"PDBC02287","","Present"
-"LJI308","","","","","","","","","","","","","","","LJI308","","","","","","","C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F","YUYJEQHNWKQNBT-UHFFFAOYSA-N","118704762",FALSE,"PDBC02288","","Present"
-"LY2109761","","","","","","","","","","","","","","","LY2109761","","","","","LY-2109761","LY2109761","C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6","IHLVSLOZUHKNMQ-UHFFFAOYSA-N","11655119",FALSE,"PDBC02289","765632","Present"
-"MetAP2 Inhibitor, A832234","","","","","","","","","","","","","","","MetAP2 Inhibitor, A832234","","","","","","","CC(C)(C(=O)[O-])P(=O)(O)OC","NVNJKIYSHBFHQG-UHFFFAOYSA-M","53413272",FALSE,"PDBC02290","","Present"
-"MIM1","","","","","","","","","","","","","","","MIM1","","","","","","","CC1=CSC(=NC2CCCCC2)N1N=CC3=C(C(=C(C=C3)O)O)O","RGGFUBMUOVFZEF-CQPAABLISA-N","135691163",FALSE,"PDBC02291","","Present"
-"Mirin","","","","","","","","","","","","","","","Mirin","","","","","","","C1=CC(=CC=C1C=C2C(=O)N=C(S2)N)O","YBHQCJILTOVLHD-YVMONPNESA-N","1206243",TRUE,"PDBC02292","","Present"
-"ML323","","","","","","","","","","","","","","","ML323","","","","","","","CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C","VUIRVWPJNKZOSS-UHFFFAOYSA-N","60167849",FALSE,"PDBC02293","","Present"
-"MN-64","","","","","","","","","","","","","","","MN-64","","","","","","","CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2","PYTOHIUBXSJKQH-UHFFFAOYSA-N","2802462",FALSE,"PDBC02294","","Present"
-"OF-1","","","","","","","","","","","","","","","OF-1","","","","","","","CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C","YUNQZQREIHWDQT-UHFFFAOYSA-N","35397514",FALSE,"PDBC02295","","Present"
-"Osimertinib","","","","","","","","","","","","","","","Osimertinib","","","","","Osimertinib","osimertinib","CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC","DUYJMQONPNNFPI-UHFFFAOYSA-N","71496458",TRUE,"PDBC02296","779217///800812","Present"
-"OTX015","","","","","","","","","","","","","","","OTX015","","","OTX015","","OTX-015","OTX015","CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C","GNMUEVRJHCWKTO-FQEVSTJZSA-N","9936746",FALSE,"PDBC02297","778747","Present"
-"P22077","","","","","","","","","","","","","","","P22077","","","","","","P22077","CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]","RMAMGGNACJHXHO-UHFFFAOYSA-N","46931953",FALSE,"PDBC02298","","Present"
-"PCI-34051","","","","","","","","","","","","","","","PCI-34051","","","","","","","COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO","AJRGHIGYPXNABY-UHFFFAOYSA-N","24753719",FALSE,"PDBC02299","","Present"
-"PF-00299804","","","","","","","","","","","","","","","PF-00299804","","","","","Dacomitinib","dacomitinib","COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4","LVXJQMNHJWSHET-AATRIKPKSA-N","11511120",FALSE,"PDBC02300","765888///800084","Present"
-"PFI-3","","","","","","","","","","","","","","","PFI-3///PFI3","","","","","","","C1C2CN(C1CN2C3=CC=CC=N3)C=CC(=O)C4=CC=CC=C4O","INAICWLVUAKEPB-QSTFCLMHSA-N","78243717",FALSE,"PDBC02301","","Present"
-"Pilaralisib","","","","","","","","","","","","","","","Pilaralisib","","","","","XL-147///Pilaralisib","pilaralisib","CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N","QINPEPAQOBZPOF-UHFFFAOYSA-N","56599306",FALSE,"PDBC02302","791227///800853","Present"
-"PRT062607","","","","","","","","","","","","","","","PRT062607","","PRT062607","","","P505-15","PRT062607","C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N","TXGKRVFSSHPBAJ-JKSUJKDBSA-N","44462758",FALSE,"PDBC02303","776786","Present"
-"Pyridostatin","","","","","","","","","","","","","","","Pyridostatin","","","","","","","C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN","VGHSATQVJCTKEF-UHFFFAOYSA-N","25227847",FALSE,"PDBC02304","","Present"
-"Ribociclib","","","","","","","","","","","","","","","Ribociclib","","","","","LEE-011","ribociclib","CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5","RHXHGRAEPCAFML-UHFFFAOYSA-N","44631912",TRUE,"PDBC02305","778909","Present"
-"RU-SKI 43","","","","","","","","","","","","","","","RU-SKI 43","","","","","","","CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2","AEENEMOEBJOKGN-UHFFFAOYSA-N","46006640",FALSE,"PDBC02306","","Present"
-"RVX-208","","","","","","","","","","","","","","","RVX-208","","","","","","","CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2","NETXMUIMUZJUTB-UHFFFAOYSA-N","135564749",FALSE,"PDBC02307","","Present"
-"Sabutoclax","","","","","","","","","","","","","","","Sabutoclax","","","","","Sabutoclax","","CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NCC(C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NCC(C)C6=CC=CC=C6","RAYNZUHYMMLQQA-ZEQRLZLVSA-N","46236925",FALSE,"PDBC02308","787780","Present"
-"Savolitinib","","","","","","","","","","","","","","","Savolitinib///AZD6094","","","","","Volitinib","","CC(C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C","XYDNMOZJKOGZLS-NSHDSACASA-N","68289010",FALSE,"PDBC02309","782121","Present"
-"SCH772984","","","","","","","","","","","","","","","SCH772984","","","","","SCH-772984","","C1CN(CC1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7","HDAJDNHIBCDLQF-RUZDIDTESA-N","24866313",FALSE,"PDBC02310","775636","Present"
-"Sinularin","","","","","","","","","","","","","","","Sinularin","","","","","Sinularin","","CC1=CCCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O","YKKJETNBRNDYKN-BZLNSZKZSA-N","6438436",FALSE,"PDBC02311","285706","Present"
-"Taselisib","","","","","","","","","","","","","","","Taselisib","","","","","GDC-0032","taselisib","CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C","BEUQXVWXFDOSAQ-UHFFFAOYSA-N","51001932",FALSE,"PDBC02312","777425///800985","Present"
-"Tenovin-6","","","","","","","","","","","","","","","Tenovin-6","","","","tenovin-6","","tenovin-6","CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C","BVJSXSQRIUSRCO-UHFFFAOYSA-N","24772043",FALSE,"PDBC02313","","Present"
-"Torin 2","","","","","","","","","","","","","","","Torin 2","","","","","Torin2","torin-2","C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F","GUXXEUUYCAYESJ-UHFFFAOYSA-N","51358113",FALSE,"PDBC02314","775727","Present"
-"TWS119","","","","","","","","","","","","","","","TWS119","","","","","","TWS-119","C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O","VPVLEBIVXZSOMQ-UHFFFAOYSA-N","9549289",FALSE,"PDBC02315","","Present"
-"Ulixertinib","","","","","","","","","","","","","","","Ulixertinib","","","","","ulixertinib///Ulixertinib","BVD-523","CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl)Cl","KSERXGMCDHOLSS-LJQANCHMSA-N","11719003",FALSE,"PDBC02316","797771///800959","Present"
-"UMI-77","","","","","","","","","","","","","","","UMI-77","","","","","UMI-77","","C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br","WUGANDSUVKXMEC-UHFFFAOYSA-N","992586",FALSE,"PDBC02317","787960","Present"
-"VE821","","","","","","","","","","","","","","","VE821","","","","","VE-821","VE-821","CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N","DUIHHZKTCSNTGM-UHFFFAOYSA-N","51000408",FALSE,"PDBC02318","761070","Present"
-"VE-822","","","","","","","","","","","","","","","VE-822","","","","","VE-822","VE-822","CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N","JZCWLJDSIRUGIN-UHFFFAOYSA-N","59472121",FALSE,"PDBC02319","777718","Present"
-"WEHI-539","","","","","","","","","","","","","","","WEHI-539","","","","","","","C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)C(=NNC5=NC6=CC=CC=C6S5)C1","JKMWZKPAXZBYEH-JWHWKPFMSA-N","71297207",FALSE,"PDBC02320","","Present"
-"WIKI4","","","","","","","","","","","","","","","WIKI4","","","","","","","COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6","RNUXIZKXJOGYQP-UHFFFAOYSA-N","2984337",FALSE,"PDBC02321","","Present"
-"Wnt-C59","","","","","","","","","","","","","","","Wnt-C59","","","","","","","CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4","KHZOJCQBHJUJFY-UHFFFAOYSA-N","57519544",FALSE,"PDBC02322","","Present"
-"WYE-125132","","","","","","","","","","","","","","","WYE-125132","","","","","","WYE-125132","CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7","QLHHRYZMBGPBJG-UHFFFAOYSA-N","25260757",FALSE,"PDBC02323","","Present"
-"WZ4003","","","","","","","","","","","","","","","WZ4003","","","","","","","CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC","SDGJBAUIGHSMRI-UHFFFAOYSA-N","72200024",FALSE,"PDBC02324","","Present"
-"G02663201","","","","","","","","","G02663201","","","","","","","","","","","","","","","",NA,"PDBC02325","","Present"
-"Capivasertib","","","","","","","","","","","","","","","Capivasertib///AZD5363","","","","","AZD-5363","AZD5363","C1CN(CCC1(C(=O)NC(CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4","JDUBGYFRJFOXQC-KRWDZBQOSA-N","25227436",NA,"PDBC02326","799347///764039","Present"
-"AZ20","","","","","","","","","","","","","","","AZ20","","","","","","AZ20","","","46244454",NA,"PDBC02327","","Present"
-"AZD3514","","","","","","","","","","","","","","","AZD3514","","","","","AZD-3514","","","","46893585",NA,"PDBC02328","765776","Present"
-"AZD5438","","","","","","","","","","","","","","","AZD5438","","","","","AZD-5438","AZD5438","","","16747683",NA,"PDBC02329","799348","Present"
-"Dyrk1b_0191","","","","","","","","","","","","","","","Dyrk1b_0191","","","","","","","","","",NA,"PDBC02330","","Present"
-"AZD4877","","","","","","","","","","","","","","","AZD4877","","","","","","","","","10368812",NA,"PDBC02331","","Present"
-"EphB4_9721","","","","","","","","","","","","","","","EphB4_9721","","","","","","","","","",NA,"PDBC02332","","Present"
-"FEN1_3940","","","","","","","","","","","","","","","FEN1_3940","","","","","","","","","",NA,"PDBC02333","","Present"
-"FGFR_0939","","","","","","","","","","","","","","","FGFR_0939","","","","","","","","","",NA,"PDBC02334","","Present"
-"FGFR_3831","","","","","","","","","","","","","","","FGFR_3831","","","","","","","","","",NA,"PDBC02335","","Present"
-"BPTES","","","","","","","","","","","","","","","BPTES","","","","","BPTES","","","","",NA,"PDBC02336","798303","Present"
-"AZD7969","","","","","","","","","","","","","","","AZD7969","","","","","","","","","",NA,"PDBC02337","","Present"
-"IAP_5620","","","","","","","","","","","","","","","IAP_5620","","","","","","","","","",NA,"PDBC02338","","Present"
-"IAP_7638","","","","","","","","","","","","","","","IAP_7638","","","","","","","","","",NA,"PDBC02339","","Present"
-"IGFR_3801","","","","","","","","","","","","","","","IGFR_3801","","","","","","","","","",NA,"PDBC02340","","Present"
-"JAK1_3715","","","","","","","","","","","","","","","JAK1_3715","","","","","","","","","",NA,"PDBC02341","","Present"
-"JAK3_7406","","","","","","","","","","","","","","","JAK3_7406","","","","","","","","","",NA,"PDBC02342","","Present"
-"MCT1_6447","","","","","","","","","","","","","","","MCT1_6447","","","","","","","","","",NA,"PDBC02343","","Present"
-"MCT4_1422","","","","","","","","","","","","","","","MCT4_1422","","","","","","","","","",NA,"PDBC02344","","Present"
-"AZD2014","","","","","","","","","","","","","","","AZD2014","","","","","AZD-2014///3-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin...","AZD2014","","","25262792",NA,"PDBC02345","767189///799345///780879","Present"
-"AZD8835","","","","","","","","","","","","","","","AZD8835","","","","","AZD-8835","","","","76685059",NA,"PDBC02346","786099","Present"
-"PI3Ka_4409","","","","","","","","","","","","","","","PI3Ka_4409","","","","","","","","","",NA,"PDBC02347","","Present"
-"AZD1208","","","","","","","","","","","","","","","AZD1208","","","AZD1208","","AZD-1208","","","","58423153",NA,"PDBC02348","776066","Present"
-"PLK_6522","","","","","","","","","","","","","","","PLK_6522","","","","","","","","","",NA,"PDBC02349","","Present"
-"RAF_9304","","","","","","","","","","","","","","","RAF_9304","","","","","","","","","",NA,"PDBC02350","","Present"
-"PARP_9495","","","","","","","","","","","","","","","PARP_9495","","","","","","","","","",NA,"PDBC02351","","Present"
-"PARP_0108","","","","","","","","","","","","","","","PARP_0108","","","","","","","","","",NA,"PDBC02352","","Present"
-"TANK_1366","","","","","","","","","","","","","","","TANK_1366","","","","","","","","","",NA,"PDBC02353","","Present"
-"PARP_9482","","","","","","","","","","","","","","","PARP_9482","","","","","","","","","",NA,"PDBC02354","","Present"
-"AZD1332","","","","","","","","","","","","","","","AZD1332","","","","","","","","","49831044",NA,"PDBC02355","","Present"
-"TTK_3146","","","","","","","","","","","","","","","TTK_3146","","","","","","","","","",NA,"PDBC02356","","Present"
-"AZD5153","","","","","","","","","","","","","","","AZD5153","","","","","AZD-5153","","","","118693659",NA,"PDBC02357","797938","Present"
-"CDK9_5576","","","","","","","","","","","","","","","CDK9_5576","","","","","","","","","",NA,"PDBC02358","","Present"
-"CDK9_5038","","","","","","","","","","","","","","","CDK9_5038","","","","","","","","","",NA,"PDBC02359","","Present"
-"Eg5_9814","","","","","","","","","","","","","","","Eg5_9814","","","","","","","","","",NA,"PDBC02360","","Present"
-"ERK_2440","","","","","","","","","","","","","","","ERK_2440","","","","","","","","","",NA,"PDBC02361","","Present"
-"ERK_6604","","","","","","","","","","","","","","","ERK_6604","","","","","","","","","",NA,"PDBC02362","","Present"
-"IRAK4_4710","","","","","","","","","","","","","","","IRAK4_4710","","","","","","","","","",NA,"PDBC02363","","Present"
-"JAK1_8709","","","","","","","","","","","","","","","JAK1_8709","","","","","","","","","",NA,"PDBC02364","","Present"
-"AZD5991","","","","","","","","","","","","","","","AZD5991","","","","","AZD-5991","","","","131634760",NA,"PDBC02365","807055","Present"
-"PAK_5339","","","","","","","","","","","","","","","PAK_5339","","","","","","","","","",NA,"PDBC02366","","Present"
-"TAF1_5496","","","","","","","","","","","","","","","TAF1_5496","","","","","","","","","",NA,"PDBC02367","","Present"
-"ULK1_4989","","","","","","","","","","","","","","","ULK1_4989","","","","","","","","","",NA,"PDBC02368","","Present"
-"VSP34_8731","","","","","","","","","","","","","","","VSP34_8731","","","","","","","","","",NA,"PDBC02369","","Present"
-"IGF1R_3801","","","","","","","","","","","","","","","IGF1R_3801","","","","","","","","","",NA,"PDBC02370","","Present"
-"JAK_8517","","","","","","","","","","","","","","","JAK_8517","","","","","","","","","",NA,"PDBC02371","","Present"
-"1-Azakenpaullone","","","","","","","","","","","","","","","","","","","","","1-azakenpaullone","C1C2=C(C3=C(C=CC=N3)NC1=O)NC4=C2C=C(C=C4)Br","NTSBZVCEIVPKBJ-UHFFFAOYSA-N","6538897",NA,"PDBC02372","","Present"
-"1-naphthyl-PP1","","","","","","","","","","","","","","","","","","","","","1-naphthyl-PP1","CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)N","XSHQBIXMLULFEV-UHFFFAOYSA-N","4877",NA,"PDBC02373","","Present"
-"10-Deacetylbaccatin III","","","","","","","","","","","","","","","","","","","","","10-deacetylbaccatin","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","YWLXLRUDGLRYDR-ZHPRIASZSA-N","154272",NA,"PDBC02374","","Present"
-"10-Hydroxycamptothecin","","","","","","","","","","","","","","","","","","","","NSC107124","10-hydroxycamptothecin","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O","HAWSQZCWOQZXHI-FQEVSTJZSA-N","97226",NA,"PDBC02375","107124","Present"
-"Phorbol 12-myristate 13-acetate","","","","","","","","","","","","","","","","","","","","","12-O-tetradecanoylphorbol-13-acetate","CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C","PHEDXBVPIONUQT-RGYGYFBISA-N","27924",NA,"PDBC02376","","Present"
-"2'-MeCCPA","","","","","","","","","","","","","","","","","","","","","2'-MeCCPA","CC1(C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)NC4CCCC4)CO)O)O","MMPAUXMIDJWGFO-UHFFFAOYSA-N","44292754",NA,"PDBC02377","","Present"
-"3-(2,3-Dichlorophenoxy)propyl-(2-hydroxyethyl)azanium","","","","","","","","","","","","","","","","","","","","","2,3-DCPE","C1=CC(=C(C(=C1)Cl)Cl)OCCC[NH2+]CCO","QVEIRCZEBQRCTR-UHFFFAOYSA-O","2250974",NA,"PDBC02378","","Present"
-"2-Methoxyestradiol","","","","","","","","","","","","","","","","","","","","","2-methoxyestradiol","CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O","CQOQDQWUFQDJMK-SSTWWWIQSA-N","66414",NA,"PDBC02379","","Present"
-"3'-fluorobenzylspiperone","","","","","","","","","","","","","","","","","","","","","3'-fluorobenzylspiperone","C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC4=CC(=CC=C4)F)CCCC(=O)C5=CC=C(C=C5)F","DXZKTRNEOISOCA-UHFFFAOYSA-N","3248000",NA,"PDBC02380","","Present"
-"3-Deazaneplanocin","","","","","","","","","","","","","","","","","","","","","3-deazaneplanocin-A","C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N","OMKHWTRUYNAGFG-IEBDPFPHSA-N","73087",NA,"PDBC02381","","Present"
-"4-(4-fluorobenzoyl)-1-(4-phenylbutyl)-piperidine","","","","","","","","","","","","","","","","","","","","","4-(4-fluorobenzoyl)-1-(4-phenylbutyl)-piperidine","C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCCC3=CC=CC=C3","FTJXZACAQRDRNT-UHFFFAOYSA-N","5234410",NA,"PDBC02382","","Present"
-"1-(4-Chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","","4-chlorophenylguanidine","C1=CC(=CC=C1N=C(N)N)Cl","ZSJNJAJDBNFVCA-UHFFFAOYSA-N","2757788",NA,"PDBC02383","","Present"
-"Biochanin A","","","","","","","","","","","","","","","","","","","","Biochanin","4-methylgenistein","COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O","WUADCCWRTIWANL-UHFFFAOYSA-N","5280373",NA,"PDBC02384","123538","Present"
-"4-Methylhistamine","","","","","","","","","","","","","","","","","","","","","4-methylhistamine","CC1=C(N=CN1)CCN","UGYXPZQILZRKJJ-UHFFFAOYSA-N","37463",NA,"PDBC02385","","Present"
-"Pyrimidine-4-carbonitrile","","","","","","","","","","","","","","","","","","","","","4-pyrimidinecarbonitrile","C1=CN=CN=C1C#N","ZIEWSZYVEDTXGH-UHFFFAOYSA-N","10313094",NA,"PDBC02386","","Present"
-"4E1RCat","","","","","","","","","","","","","","","","","","","","","4E1RCat","C1=CC=C(C=C1)C2=CC(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2C5=CC=C(C=C5)C(=O)O","BBQRBOIMSKMFFO-PGMHBOJBSA-N","78357788",NA,"PDBC02387","","Present"
-"Desfesoterodine","","","","","","","","","","","","","","","","","","","","","5-hydroxymethyl-tolterodine","CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C","DUXZAXCGJSBGDW-HXUWFJFHSA-N","9819382",NA,"PDBC02388","","Present"
-"7-Hydroxystaurosporine","","","","","","","","","","","","","","","","","","","","NSC638850","7-hydroxystaurosporine","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC","PBCZSGKMGDDXIJ-HQCWYSJUSA-N","72271",NA,"PDBC02389","638850","Present"
-"8-Bromo-cGMP","","","","","","","","","","","","","","","","","","","","","8-bromo-cGMP","C1C2C(C(C(O2)N3C4=C(C(=O)NC(=N4)N)N=C3Br)O)OP(=O)(O1)O","YUFCOOWNNHGGOD-UMMCILCDSA-N","135419186",NA,"PDBC02390","","Present"
-"8-Hydroxy-pipat","","","","","","","","","","","","","","","","","","","","","8-hydroxy-PIPAT","CCCN(CC=CI)C1CCC2=C(C1)C(=CC=C2)O","QBXHUZJZYDSLRH-RUDMXATFSA-N","6142670",NA,"PDBC02391","","Present"
-"9-Aminoacridine","","","","","","","","","","","","","","","","","","","","Aminacrine Hydrochloride///AMINACRINE","9-aminoacridine","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N","XJGFWWJLMVZSIG-UHFFFAOYSA-N","7019",NA,"PDBC02392","7571///757794","Present"
-"A-674563","","","","","","","","","","","","","","","","","A-674563","","","","A-674563","","","11314340",NA,"PDBC02393","","Present"
-"A-803467","","","","","","","","","","","","","","","","","","","","","A-803467","COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)OC","VHKBTPQDHDSBSP-UHFFFAOYSA-N","16038374",NA,"PDBC02394","","Present"
-"A61603","","","","","","","","","","","","","","","","","","","","","A61603","CS(=O)(=O)NC1=C(C=CC2=C1CCCC2C3=NCCN3)O","OQFCXJDXHCDLHX-UHFFFAOYSA-N","4038180",NA,"PDBC02395","","Present"
-"Abt-702","","","","","","","","","","","","","","","","","","","","","ABT-702","C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N","RQCXKDWOCUJWQZ-UHFFFAOYSA-N","1973",NA,"PDBC02396","","Present"
-"AC-264613","","","","","","","","","","","","","","","","","","","","","AC-264613","CC(=NNC(=O)C1C(CNC1=O)C2=CC=CC=C2)C3=CC(=CC=C3)Br","RQKXQCSEZPQBNZ-QSBCOWLBSA-N","25108278",NA,"PDBC02397","","Present"
-"Acdpp","","","","","","","","","","","","","","","","","","","","","ACDPP","CN(C)C1=NC(=C(N=C1Cl)C(=O)NC2=CN=CC=C2)N","RNGRUHWJJPTYNR-UHFFFAOYSA-N","16759169",NA,"PDBC02398","","Present"
-"ADL5859","","","","","","","","","","","","","","","","","","","","","ADL5859","CCN(CC)C(=O)C1=CC=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC(=C42)O","OPIKUXLJQFYMSC-UHFFFAOYSA-N","11417954",NA,"PDBC02399","","Present"
-"AEE788","","","","","","","","","","","","","","","","","","","","NSC765949///NSC799325","AEE788","CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC(C)C5=CC=CC=C5","OONFNUWBHFSNBT-HXUWFJFHSA-N","10297043",NA,"PDBC02400","765949///799325","Present"
-"AEG3482","","","","","","","","","","","","","","","","","","","","","AEG3482","C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)S(=O)(=O)N","MQUYTXDAVCOCMX-UHFFFAOYSA-N","698112",NA,"PDBC02401","","Present"
-"AM-251","","","","","","","","","","","","","","","","","","","","","AM-251","CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I","BUZAJRPLUGXRAB-UHFFFAOYSA-N","2125",NA,"PDBC02402","","Present"
-"AM-404","","","","","","","","","","","","","","","","","","","AMA404","","AM-404","CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1=CC=C(C=C1)O","IJBZOOZRAXHERC-DOFZRALJSA-N","6604822",NA,"PDBC02403","","Present"
-"AMG-208","","","","","","","","","","","","","","","","","","","","AMG-208","AMG-208","COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N=C(C=C4)C5=CC=CC=C5","HEAIZQNMNCHNFD-UHFFFAOYSA-N","24864821",NA,"PDBC02404","766288","Present"
-"AMG-232","","","","","","","","","","","","","","","","","","","","AMG-232","AMG-232","CC(C)C(CS(=O)(=O)C(C)C)N1C(C(CC(C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl","DRLCSJFKKILATL-YWCVFVGNSA-N","58573469",NA,"PDBC02405","781515","Present"
-"AMG-458","","","","","","","","","","","","","","","","","","","","AMG-458","AMG458","CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OC","GLBZSOQDAOLMGC-UHFFFAOYSA-N","24764449",NA,"PDBC02406","754346","Present"
-"AMG-900","","","","","","","","","","","","","","","","","","","","AMG-900","AMG900","CC1=CSC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N","IVUGFMLRJOCGAS-UHFFFAOYSA-N","24856041",NA,"PDBC02407","761069","Present"
-"Rimiducid","","","","","","","","","","","","","","","","","","","","","AP1903","CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCCNC(=O)COC5=CC=CC(=C5)C(CCC6=CC(=C(C=C6)OC)OC)OC(=O)C7CCCCN7C(=O)C(CC)C8=CC(=C(C(=C8)OC)OC)OC","GQLCLPLEEOUJQC-ZTQDTCGGSA-N","16135625",NA,"PDBC02408","","Present"
-"AP26113","","","","","","","","","","","","","","","","","","","","Ariad Alk/EGFR inhibitor related to AP-26113///AP26113","AP26113","CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC","OVDSPTSBIQCAIN-UHFFFAOYSA-N","57390074",NA,"PDBC02409","776763///800977","Present"
-"Varlitinib","","","","","","","","","","","","","","","","","","","","NSC764823///NSC800962","ARRY-334543","CC1COC(=N1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=NC=CS5)Cl","UWXSAYUXVSFDBQ-CYBMUJFWSA-N","42642648",NA,"PDBC02410","764823///800962","Present"
-"AS-1949490","","","","","","","","","","","","","","","","","","","","","AS-1949490","CC(C1=CC=CC=C1)NC(=O)C2=C(C=CS2)OCC3=CC=C(C=C3)Cl","RFZPGNRLOKVZJY-AWEZNQCLSA-N","44473434",NA,"PDBC02411","","Present"
-"Pimasertib","","","","","","","","","","","","","","","","","","","","NSC755763///NSC800854","AS-703026","C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NCC(CO)O","VIUAUNHCRHHYNE-JTQLQIEISA-N","44187362",NA,"PDBC02412","755763///800854","Present"
-"AT-9283","","","","","","","","","","","","","","","","","","","","NSC760144///NSC799339","AT-9283","C1CC1NC(=O)NC2=C(NN=C2)C3=NC4=C(N3)C=C(C=C4)CN5CCOCC5","LOLPPWBBNUVNQZ-UHFFFAOYSA-N","135398495",NA,"PDBC02413","760144///799339","Present"
-"AV-412","","","","","","","","","","","","","","","","","","","","","AV-412","CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C","GTWJVFFZCKODEV-UHFFFAOYSA-N","11700696",NA,"PDBC02414","","Present"
-"Spebrutinib","","","","","","","","","","","","","","","","","","","","spebrutinib","AVL-292","COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)F","KXBDTLQSDKGAEB-UHFFFAOYSA-N","59174488",NA,"PDBC02415","780020","Present"
-"Avn-944","","","","","","","","","","","","","","","","","","","","VX-944","AVN-944","CCC(CC#N)OC(=O)NC(C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C3=CN=CO3)OC","GYCPCOJTCINIFZ-OXJNMPFZSA-N","9918559",NA,"PDBC02416","767601","Present"
-"AZD-2461","","","","","","","","","","","","","","","","","","","","AZD-2461","AZD2461","COC1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F","HYNBNUYQTQIHJK-UHFFFAOYSA-N","44199317",NA,"PDBC02417","773230","Present"
-"AZD-2858","","","","","","","","","","","","","","","","","","","","AZD-2858","AZD2858","","","",NA,"PDBC02418","774901","Present"
-"AZD-3463","","","","","","","","","","","","","","","","","","","","AZD-3463","AZD3463","COC1=C(C=CC(=C1)N2CCC(CC2)N)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl","GCYIGMXOIWJGBU-UHFFFAOYSA-N","56599293",NA,"PDBC02419","776787","Present"
-"AZD8330","","","","","","","","","","","","","","","","","","","","ARRY-704///AZD-8330","AZD8330","CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO","RWEVIPRMPFNTLO-UHFFFAOYSA-N","16666708",NA,"PDBC02420","772563///799353","Present"
-"Alvelestat","","","","","","","","","","","","","","","","","","","","","AZD9668","CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4C","QNQZWEGMKJBHEM-UHFFFAOYSA-N","46861623",NA,"PDBC02421","","Present"
-"BAN-ORL-24","","","","","","","","","","","","","","","","","","","","","BAN-ORL-24","C1CC(N(C1)CC2=CC=CC=C2)C(=O)NCCCN3CCC4(CC3)C5=CC=CC=C5CO4","MAKMQGKJURAJEN-RUZDIDTESA-N","10296561",NA,"PDBC02422","","Present"
-"Bay 11-7085","","","","","","","","","","","","","","","","","Bay 11-7085","","","","BAY-11-7085","","","5353432",NA,"PDBC02423","","Present"
-"BAY-87-2243","","","","","","","","","","","","","","","","","","","","BAY-87-2243","BAY-87-2243","CC1=CC(=NN1CC2=CC(=NC=C2)N3CCN(CC3)C4CC4)C5=NC(=NO5)C6=CC=C(C=C6)OC(F)(F)F","CDJNNOJINJAXPV-UHFFFAOYSA-N","67377767",NA,"PDBC02424","781016","Present"
-"BAY-K-8644-(s)-(-)","","","","","","","","","","","","","","","","","","","","","BAY-K-8644-(s)-(-)","CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC","ZFLWDHHVRRZMEI-ZDUSSCGKSA-N","6603728",NA,"PDBC02425","","Present"
-"Pitolisant","","","","","","","","","","","","","","","","","","","","","BF2.649","C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl","NNACHAUCXXVJSP-UHFFFAOYSA-N","9948102",NA,"PDBC02426","","Present"
-"BGT-226 free base","","","","","","","","","","","","","","","","","","","","NSC773095///NSC799358","BGT226","CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC","BMMXYEBLEBULND-UHFFFAOYSA-N","11978790",NA,"PDBC02427","773095///799358","Present"
-"BI-78D3","","","","","","","","","","","","","","","","","","","","","BI-78D3","C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SC4=NC=C(S4)[N+](=O)[O-]","QFRLDZGQEZCCJZ-UHFFFAOYSA-N","2747117",NA,"PDBC02428","","Present"
-"BIBU-1361","","","","","","","","","","","","","","","","","","","","","BIBU-1361","CCN(CC)CC1CCN(CC1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl","JUGSLZCFNSTKBN-UHFFFAOYSA-N","17756796",NA,"PDBC02429","","Present"
-"Falnidamol","","","","","","","","","","","","","","","","","","","","","BIBX-1382","CN1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl","FTFRZXFNZVCRSK-UHFFFAOYSA-N","6918508",NA,"PDBC02430","","Present"
-"B-7100","","","","","","","","","","","","","","","","","","","","B-7100","BIIB021","CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N","QULDDKSCVCJTPV-UHFFFAOYSA-N","16736529",NA,"PDBC02431","773265","Present"
-"BIX-02188","","","","","","","","","","","","","","","","","","","","","BIX-02188","CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N)O","WGPXKFOFEXJMBD-UHFFFAOYSA-N","135398492",NA,"PDBC02432","","Present"
-"Bms-265246","","","","","","","","","","","","","","","","","","","","","BMS-265246","CCCCOC1=C(C=NC2=NNC=C12)C(=O)C3=C(C=C(C=C3F)C)F","SCFMWQIQBVZOQR-UHFFFAOYSA-N","135402864",NA,"PDBC02433","","Present"
-"BMS-599626","","","","","","","","","","","","","","","","","","","","BMS-599626///AC-480","BMS-599626","CC1=C2C(=NC=NN2C=C1NC(=O)OCC3COCCN3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F","LUJZZYWHBDHDQX-QFIPXVFZSA-N","10437018",NA,"PDBC02434","764135///799323","Present"
-"Temsavir","","","","","","","","","","","","","","","","","","","","","BMS-626529","CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC","QRPZBKAMSFHVRW-UHFFFAOYSA-N","11317439",NA,"PDBC02435","","Present"
-"BMS-690514","","","","","","","","","","","","","","","","","","","","NSC760765///NSC799363","BMS-690514","COC1=CC=CC(=C1)NC2=NC=NN3C2=C(C=C3)CN4CCC(C(C4)O)N","CSGQVNMSRKWUSH-IAGOWNOFSA-N","11349170",NA,"PDBC02436","760765///799363","Present"
-"Bms-707035","","","","","","","","","","","","","","","","","","","","","BMS-707035","CN1C(=O)C(=C(N=C1N2CCCCS2(=O)=O)C(=O)NCC3=CC=C(C=C3)F)O","VNIWZCGZPBJWBI-UHFFFAOYSA-N","54682040",NA,"PDBC02437","","Present"
-"Bms-986020","","","","","","","","","","","","","","","","","","","","","BMS-986020","CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)C(=O)O","GQBRZBHEPUQRPL-LJQANCHMSA-N","49792850",NA,"PDBC02438","","Present"
-"BNC105","","","","","","","","","","","","","","","","","","","","","BNC105","CC1=C(C2=C(O1)C(=C(C=C2)OC)O)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","RADMJHVVIZTENA-UHFFFAOYSA-N","24786555",NA,"PDBC02439","","Present"
-"7-Benzylidenenaltrexone","","","","","","","","","","","","","","","","","","","","","BNTX","C1CC1CN2CCC34C5C(=O)C(=CC6=CC=CC=C6)CC3(C2CC7=C4C(=C(C=C7)O)O5)O","WXOUFNFMPVMGFZ-BDQAUFNLSA-N","5310988",NA,"PDBC02440","","Present"
-"Didesmethylsibutramine hydrochloride","","","","","","","","","","","","","","","","","","","","","BTS-54505","CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N.Cl","KHRVYINTXCWNRF-UHFFFAOYSA-N","134771",NA,"PDBC02441","","Present"
-"BVT-948","","","","","","","","","","","","","","","","","","","","","BVT-948","CC1(C2=C(C3=CC=CC=C3C(=O)C2=O)NC1=O)C","LLPBUXODFQZPFH-UHFFFAOYSA-N","6604934",NA,"PDBC02442","","Present"
-"Dadle","","","","","","","","","","","","","","","","","","","","","BW-180C","CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N","ZHUJMSMQIPIPTF-IBURTVSXSA-N","6917707",NA,"PDBC02443","","Present"
-"1-(4-Carboxyphenyl)-3,3-dimethyltriazene","","","","","","","","","","","","","","","","","","","","","CB-10-277","CN(C)N=NC1=CC=C(C=C1)C(=O)O","GUAZPUYTLMUTMA-UHFFFAOYSA-N","23606",NA,"PDBC02444","","Present"
-"CCG-50014","","","","","","","","","","","","","","","","","","","","","CCG-50014","CC1=CC=C(C=C1)N2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F","QUIIIYITNGOFEI-UHFFFAOYSA-N","2733079",NA,"PDBC02445","","Present"
-"CID 67042344","","","","","","","","","","","","","","","","","","","","","CCMI","CC1=NOC(=C1)C(=CNC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","VMAKIACTLSBBIY-UHFFFAOYSA-N","67042344",NA,"PDBC02446","","Present"
-"CCT-128930","","","","","","","","","","","","","","","","","","","","CCT-128930","CCT128930","C1CN(CCC1(CC2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4","RZIDZIGAXXNODG-UHFFFAOYSA-N","17751819",NA,"PDBC02447","761387","Present"
-"CCT129202","","","","","","","","","","","","","","","","","","","","","CCT129202","CN(C)C1=CC=C(C=C1)C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC(=O)NC5=NC=CS5)Cl","QYKHWEFPFAGNEV-UHFFFAOYSA-N","16202152",NA,"PDBC02448","","Present"
-"CCT137690","","","","","","","","","","","","","","","","","","","","","CCT137690","CC1=CC(=NO1)CN2CCN(CC2)C3=C4C(=NC=C3Br)N=C(N4)C5=CC=C(C=C5)N6CCN(CC6)C","GFLQCBTXTRCREJ-UHFFFAOYSA-N","25154041",NA,"PDBC02449","","Present"
-"Agerafenib","","","","","","","","","","","","","","","","","","","","NSC776043///NSC800070","CEP-32496","CC(C)(C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F","DKNUPRMJNUQNHR-UHFFFAOYSA-N","56846693",NA,"PDBC02450","776043///800070","Present"
-"CEP-33779","","","","","","","","","","","","","","","","","","","","","CEP-33779","CN1CCN(CC1)C2=CC=CC(=C2)NC3=NN4C=CC=C(C4=N3)C5=CC=C(C=C5)S(=O)(=O)C","RFZKSQIFOZZIAQ-UHFFFAOYSA-N","57336812",NA,"PDBC02451","","Present"
-"Cep-37440","","","","","","","","","","","","","","","","","","","","NSC781148///NSC800983","CEP-37440","CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C4=C(CC(CCC4)N5CCN(CC5)CCO)C=C3)OC","BCSHRERPHLTPEE-NRFANRHFSA-N","71721648",NA,"PDBC02452","781148///800983","Present"
-"Nvp-cgm097","","","","","","","","","","","","","","","","","","","","CGM-097","CGM097","CC(C)OC1=C(C=C2CC(=O)N(C(C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C)OC","CLRSLRWKONPSRQ-CPOWQTMSSA-N","53240420",NA,"PDBC02453","783015","Present"
-"CGP-37849","","","","","","","","","","","","","","","","","","","","","CGP-37849","CC(=CC(C(=O)O)N)CP(=O)(O)O","BDYHNCZIGYIOGJ-DUXPYHPUSA-N","5950212",NA,"PDBC02454","","Present"
-"CGP-54626","","","","","","","","","","","","","","","","","","","","","CGP-54626","CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2CCCCC2)O)O","JGGVBBYJRQOPPA-BBRMVZONSA-N","197584",NA,"PDBC02455","","Present"
-"CGS-15943","","","","","","","","","","","","","","","","","","","","","CGS-15943","C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3N","MSJODEOZODDVGW-UHFFFAOYSA-N","2690",NA,"PDBC02456","","Present"
-"Unii-K9Q4R9S81O","","","","","","","","","","","","","","","","","","","","","CGS-20625","COC1=CC=C(C=C1)N2C(=O)C3=CN=C4CCCCCC4=C3N2","UBLXQFIFWUEVGJ-UHFFFAOYSA-N","163844",NA,"PDBC02457","","Present"
-"CH5132799","","","","","","","","","","","","","","","","","","","","NSC762382///NSC800984","CH5132799","CS(=O)(=O)N1CCC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N","JEGHXKRHKHPBJD-UHFFFAOYSA-N","49784945",NA,"PDBC02458","762382///800984","Present"
-"CHIR-124","","","","","","","","","","","","","","","","","","","","","CHIR-124","C1CN2CCC1C(C2)NC3=C(C(=O)NC4=C3C=C(C=C4)Cl)C5=NC6=CC=CC=C6N5","MOVBBVMDHIRCTG-LJQANCHMSA-N","135399748",NA,"PDBC02459","","Present"
-"CHIR-98014","","","","","","","","","","","","","","","","","","","","","CHIR-98014","C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N","MDZCSIDIPDZWKL-UHFFFAOYSA-N","53396311",NA,"PDBC02460","","Present"
-"3-Phenoxypyridine monosulfate","","","","","","","","","","","","","","","","","","","","","CI-844","C1=CC=C(C=C1)OC2=CN=CC=C2.OS(=O)(=O)O","SYULDLBUMBEIIY-UHFFFAOYSA-N","6917736",NA,"PDBC02461","","Present"
-"(2E)-2-Benzylidene-3-(cyclohexylamino)inden-1-ol","","","","","","","","","","","","","","","","","","","","","CID-5458317","C1CCC(CC1)NC2=C3C=CC=CC3=C(C2=CC4=CC=CC=C4)O","BJJVCNWHNQAAGB-HMMYKYKNSA-N","155903705",NA,"PDBC02462","","Present"
-"CL-218872","","","","","","","","","","","","","","","","","","","","","CL-218872","CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)C(F)(F)F","GUOQUXNJZHGPQF-UHFFFAOYSA-N","107950",NA,"PDBC02463","","Present"
-"CNX-2006","","","","","","","","","","","","","","","","","","","","","CNX-2006","COC1=C(C=CC(=C1)NC2CN(C2)CCF)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F","BFSRTTWIPACGMI-UHFFFAOYSA-N","56968072",NA,"PDBC02464","","Present"
-"CNX-774","","","","","","","","","","","","","","","","","","","","","CNX-774","CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)F","VVLHQJDAUIPZFH-UHFFFAOYSA-N","59174579",NA,"PDBC02465","","Present"
-"CP-673451","","","","","","","","","","","","","","","","","","","","","CP-673451","COCCOC1=CC2=C(C=C1)N(C=N2)C3=NC4=C(C=CC=C4N5CCC(CC5)N)C=C3","DEEOXSOLTLIWMG-UHFFFAOYSA-N","10158940",NA,"PDBC02466","","Present"
-"Otenabant","","","","","","","","","","","","","","","","","","","","","CP-945,598","CCNC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)C(=O)N","UNAZAADNBYXMIV-UHFFFAOYSA-N","10052040",NA,"PDBC02467","","Present"
-"4-Acetamido-N-tert-butylbenzamide","","","","","","","","","","","","","","","","","","","","","CPI-1189","CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C","DJKNRCWSXSZACF-UHFFFAOYSA-N","151118",NA,"PDBC02468","","Present"
-"CPP","","","","","","","","","","","","","","","","","","","","","CPP","","","",NA,"PDBC02469","","Present"
-"CR8-(R)","","","","","","","","","","","","","","","","","","","","","CR8-(R)","CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4","HOCBJBNQIQQQGT-LJQANCHMSA-N","10224714",NA,"PDBC02470","","Present"
-"1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidine","","","","","","","","","","","","","","","","","","","","","CS-110266","C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4","RGSVXQJPSWZXOP-UHFFFAOYSA-N","123692",NA,"PDBC02471","","Present"
-"Fimepinostat","","","","","","","","","","","","","","","","","","","","CUDC-907","CUDC-907","CN(CC1=CC2=C(S1)C(=NC(=N2)C3=CN=C(C=C3)OC)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO","JOWXJLIFIIOYMS-UHFFFAOYSA-N","54575456",NA,"PDBC02472","771751","Present"
-"CYC-116","","","","","","","","","","","","","","","","","","","","CYC-116","CYC116","CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4","GPSZYOIFQZPWEJ-UHFFFAOYSA-N","6420138",NA,"PDBC02473","759498","Present"
-"CK1 Inhibitor","","","","","","","","","","","","","","","","","","","","","D-4476","C1COC2=C(O1)C=CC(=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5","DPDZHVCKYBCJHW-UHFFFAOYSA-N","6419753",NA,"PDBC02474","","Present"
-"(5-Methoxy-1H-indol-2-yl)-phenylmethanone","","","","","","","","","","","","","","","","","","","","","D-64131","COC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC=CC=C3","ICMIJSRDISNKOC-UHFFFAOYSA-N","3921152",NA,"PDBC02475","","Present"
-"D-7193","","","","","","","","","","","","","","","","","","","","","D-7193","CC(=O)NC(CSSCC(C(=O)O)NC(=O)C)C(=O)O","YTPQSLLEROSACP-OCAPTIKFSA-N","99280",NA,"PDBC02476","","Present"
-"D-Serine","","","","","","","","","","","","","","","","","","","","","D-Serine","C(C(C(=O)O)N)O","MTCFGRXMJLQNBG-UWTATZPHSA-N","71077",NA,"PDBC02477","","Present"
-"Dcebio","","","","","","","","","","","","","","","","","","","","","DCEBIO","CCN1C2=CC(=C(C=C2NC1=O)Cl)Cl","LKHRMULASXZCLG-UHFFFAOYSA-N","656765",NA,"PDBC02478","","Present"
-"DMH1","","","","","","","","","","","","","","","","","","","","","DMH1","CC(C)OC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2","JMIFGARJSWXZSH-UHFFFAOYSA-N","50997747",NA,"PDBC02479","","Present"
-"DPI-201106","","","","","","","","","","","","","","","","","","","","","DPI-201106","C1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5","BYBYHCOEAFHGJL-UHFFFAOYSA-N","5190",NA,"PDBC02480","","Present"
-"Arg-gly-asp-ser","","","","","","","","","","","","","","","","","","","","","DU-728","C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)N)CN=C(N)N","NNRFRJQMBSBXGO-CIUDSAMLSA-N","107775",NA,"PDBC02481","","Present"
-"Noopept","","","","","","","","","","","","","","","","","","","","","DVD-111","CCOC(=O)CNC(=O)C1CCCN1C(=O)CC2=CC=CC=C2","PJNSMUBMSNAEEN-AWEZNQCLSA-N","180496",NA,"PDBC02482","","Present"
-"E-7449","","","","","","","","","","","","","","","","","","","","E-7449","E7449","C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3","JLFSBHQQXIAQEC-UHFFFAOYSA-N","135565981",NA,"PDBC02483","783107","Present"
-"EMD-53998","","","","","","","","","","","","","","","","","","","","","EMD-53998","CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)OC)OC","IZLRMTJLQCLMKF-UHFFFAOYSA-N","187079",NA,"PDBC02484","","Present"
-"ENMD-2076","","","","","","","","","","","","","","","","","","","","NSC758245///NSC800094","ENMD-2076","CC1=CC(=NN1)NC2=CC(=NC(=N2)C=CC3=CC=CC=C3)N4CCN(CC4)C","BLQYVHBZHAISJM-CMDGGOBGSA-N","16041424",NA,"PDBC02485","758245///800094","Present"
-"ER-27319","","","","","","","","","","","","","","","","","","","","","ER-27319","CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C.C(=O)(C(=O)O)O","IIELZHYJYZBSGG-UHFFFAOYSA-N","9799508",NA,"PDBC02486","","Present"
-"NF-kB Activation Inhibitor","","","","","","","","","","","","","","","","","NF-kB Activation Inhibitor","","","","EVP4593","","","509554",NA,"PDBC02487","","Present"
-"Unii-9fut9FH3EX","","","","","","","","","","","","","","","","","","","","","FERb-033","C1=CC(=C(C=C1C2=C(C(=C(C=C2)C=NO)O)Cl)F)O","LRRMQNGSYOUANY-OMCISZLKSA-N","135931707",NA,"PDBC02488","","Present"
-"Roxadustat","","","","","","","","","","","","","","","","","","","","","FG-4592","CC1=C2C=C(C=CC2=C(C(=N1)C(=O)NCC(=O)O)O)OC3=CC=CC=C3","YOZBGTLTNGAVFU-UHFFFAOYSA-N","11256664",NA,"PDBC02489","","Present"
-"N-(4-Acetyl-2-(2,4-difluorophenoxy)phenyl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","","FK-3311","CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)OC2=C(C=C(C=C2)F)F","DIIYLGZNZGPXRR-UHFFFAOYSA-N","164009",NA,"PDBC02490","","Present"
-"FK-888","","","","","","","","","","","","","","","","","","","","","FK-888","CN1C=C(C2=CC=CC=C21)C(=O)N3CC(CC3C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N(C)CC6=CC=CC=C6)O","BFNKQTIJVFGCKQ-PDJGWCFMSA-N","107967",NA,"PDBC02491","","Present"
-"FLI-06","","","","","","","","","","","","","","","","","","","","","FLI-06","CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCCC4","SWWVFYHSSOWZMF-UHFFFAOYSA-N","3103157",NA,"PDBC02492","","Present"
-"FPH1-(BRD-6125)","","","","","","","","","","","","","","","","","","","","","FPH1-(BRD-6125)","","","",NA,"PDBC02493","","Present"
-"FR-122047","","","","","","","","","","","","","","","","","","","","","FR-122047","CN1CCN(CC1)C(=O)C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","UBHKJRYGKOSQDJ-UHFFFAOYSA-N","196841",NA,"PDBC02494","","Present"
-"FR-139317","","","","","","","","","","","","","","","","","","","","","FR-139317","CC(C)CC(C(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)NC(CC3=CC=CC=N3)C(=O)O)NC(=O)N4CCCCCC4","LIOKMIQQPDDTNO-UPRLRBBYSA-N","107810",NA,"PDBC02495","","Present"
-"G-1","","","","","","","","","","","","","","","","","","","","","G-1","CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC5=C(C=C4Br)OCO5","VHSVKVWHYFBIFJ-HKZYLEAXSA-N","5322399",NA,"PDBC02496","","Present"
-"Gdc-0152","","","","","","","","","","","","","","","","","","","","GDC-0152","GDC-0152","CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3=C(N=NS3)C4=CC=CC=C4)NC","WZRFLSDVFPIXOV-LRQRDZAKSA-N","46940575",NA,"PDBC02497","765898","Present"
-"Gdc-0349","","","","","","","","","","","","","","","","","","","","NSC771532///NSC800987","GDC-0349","CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCN(C3)C4COC4)C(=N2)N5CCOCC5C","RGJOJUGRHPQXGF-INIZCTEOSA-N","59239165",NA,"PDBC02498","771532///800987","Present"
-"GS-39783","","","","","","","","","","","","","","","","","","","","","GS-39783","CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3","GSGVDKOCBKBMGG-UHFFFAOYSA-N","6604928",NA,"PDBC02499","","Present"
-"GSK1292263","","","","","","","","","","","","","","","","","","","","","GSK1292263","CC(C)C1=NOC(=N1)N2CCC(CC2)COC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C","AYJRTVVIBJSSKN-UHFFFAOYSA-N","24996872",NA,"PDBC02500","","Present"
-"GSK-1838705A","","","","","","","","","","","","","","","","","GSK-1838705A","","","CT-GSK183","GSK1838705A","","","25182616",NA,"PDBC02501","766255","Present"
-"GSK256066","","","","","","","","","","","","","","","","","","","","","GSK256066","CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)N(C)C","JFHROPTYMMSOLG-UHFFFAOYSA-N","9827968",NA,"PDBC02502","","Present"
-"GSK2656157","","","","","","","","","","","","","","","","","","","","","GSK2656157","CC1=NC(=CC=C1)CC(=O)N2CCC3=C2C=CC(=C3F)C4=CN(C5=NC=NC(=C45)N)C","PRWSIEBRGXYXAJ-UHFFFAOYSA-N","53469059",NA,"PDBC02503","","Present"
-"GSK2830371","","","","","","","","","","","","","","","","","","","","","GSK2830371","CC1=C(C=C(C=N1)Cl)NCC2=CC=C(S2)C(=O)NC(CC3CCCC3)C(=O)NC4CC4","IVDUVEGCMXCMSO-FQEVSTJZSA-N","70983932",NA,"PDBC02504","","Present"
-"3-Phenyl-1H-benzofuro[3,2-c]pyrazole","","","","","","","","","","","","","","","","","","","","","GTP-14564","C1=CC=C(C=C1)C2=NNC3=C2OC4=CC=CC=C43","DZQLVVLATXPWBK-UHFFFAOYSA-N","3385203",NA,"PDBC02505","","Present"
-"GW-3965","","","","","","","","","","","","","","","","","","","","","GW-3965","C1=CC=C(C=C1)C(CN(CCCOC2=CC=CC(=C2)CC(=O)O)CC3=C(C(=CC=C3)C(F)(F)F)Cl)C4=CC=CC=C4","NAXSRXHZFIBFMI-UHFFFAOYSA-N","447905",NA,"PDBC02506","","Present"
-"Endurobol","","","","","","","","","","","","","","","","","","","","","GW-501516","CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O","YDBLKRPLXZNVNB-UHFFFAOYSA-N","9803963",NA,"PDBC02507","","Present"
-"GW-583340","","","","","","","","","","","","","","","","","","","","","GW-583340","CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","MNNXRVSQOABRRP-UHFFFAOYSA-N","5329480",NA,"PDBC02508","","Present"
-"GW-788388","","","","","","","","","","","","","","","","","","","","","GW-788388","C1COCCC1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5","SAGZIBJAQGBRQA-UHFFFAOYSA-N","10202642",NA,"PDBC02509","","Present"
-"GW-842166","","","","","","","","","","","","","","","","","","","","","GW-842166","C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=C(C=C(C=C3)Cl)Cl","TWQYWUXBZHPIIV-UHFFFAOYSA-N","10253143",NA,"PDBC02510","","Present"
-"GZD824","","","","","","","","","","","","","","","","","","","","","GZD824","CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CC5=C(NN=C5)N=C4","TZKBVRDEOITLRB-UHFFFAOYSA-N","51038269",NA,"PDBC02511","","Present"
-"HA14-1","","","","","","","","","","","","","","","","","","","","Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H...","HA14-1","CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)Br)N","SXJDCULZDFWMJC-UHFFFAOYSA-N","3549",NA,"PDBC02512","720569","Present"
-"Hmn-214","","","","","","","","","","","","","","","","","","","","HMN-214","HMN-214","CC(=O)N(C1=CC=CC=C1C=CC2=CC=[N+](C=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)OC","OCKHRKSTDPOHEN-BQYQJAHWSA-N","9888590",NA,"PDBC02513","800767","Present"
-"I-BET-151","","","","","","","","","","","","","","","","","","","","I-BET-151","I-BET151","CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)C(C)C5=CC=CC=N5)OC","VUVUVNZRUGEAHB-CYBMUJFWSA-N","52912189",NA,"PDBC02514","767599","Present"
-"ICG-001","","","","","","","","","","","","","","","","","","","","ICG-001","ICG-001","C1CN(C2CN(C(=O)C(N2C1=O)CC3=CC=C(C=C3)O)CC4=CC=CC5=CC=CC=C54)C(=O)NCC6=CC=CC=C6","HQWTUOLCGKIECB-XZWHSSHBSA-N","11238147",NA,"PDBC02515","756641","Present"
-"ICI-162846","","","","","","","","","","","","","","","","","","","","","ICI-162846","C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N","ALCSGJCIESECFD-UHFFFAOYSA-N","134778",NA,"PDBC02516","","Present"
-"IDRA-21","","","","","","","","","","","","","","","","","","","","","IDRA-21","CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1","VZRNTCHTJRLTMU-UHFFFAOYSA-N","3688",NA,"PDBC02517","","Present"
-"N-(1-Adamantylmethyl)-1,5-pentanediamine","","","","","","","","","","","","","","","","","","","","","IEM1754","C1C2CC3CC1CC(C2)(C3)CNCCCCCN","UWWMQHVWAYFCDT-UHFFFAOYSA-N","9887868",NA,"PDBC02518","","Present"
-"Capmatinib","","","","","","","","","","","","","","","","","","","","TABRECTA","INC-280","CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F","LIOLIMKSCNQPLV-UHFFFAOYSA-N","25145656",NA,"PDBC02519","777878","Present"
-"INH1","","","","","","","","","","","","","","","","","","","","","INH1","CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C","JPMOKRWIYQGMJL-UHFFFAOYSA-N","959043",NA,"PDBC02520","","Present"
-"IOWH032","","","","","","","","","","","","","","","","","","","","","IOWH032","C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)C4=CC(=C(C(=C4)Br)O)Br","DSFNLJXHXBIKDS-UHFFFAOYSA-N","135565181",NA,"PDBC02521","","Present"
-"JIB04","","","","","","","","","","","","","","","","","","","","","JIB04","C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3","YHHFKWKMXWRVTJ-XLNRJJMWSA-N","5825881",NA,"PDBC02522","","Present"
-"JNJ-16259685","","","","","","","","","","","","","","","","","","","","","JNJ-16259685","COC1CCC(CC1)C(=O)C2=CC3=CC4=C(N=C3C=C2)OCCC4","QOTAQTRFJWLFCR-UHFFFAOYSA-N","11313361",NA,"PDBC02523","","Present"
-"Quisinostat","","","","","","","","","","","","","","","","","","","","Quisinostat","JNJ-26481585","CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)NO","PAWIYAYFNXQGAP-UHFFFAOYSA-N","11538455",NA,"PDBC02524","759657","Present"
-"JNJ-7706621","","","","","","","","","","","","","","","","","JNJ-7706621","","","","JNJ-7706621","","","5330790",NA,"PDBC02525","","Present"
-"JQ1-(+)","","","","","","","","","","","","","","","","","","","","NSC760183///NSC764043","JQ1-(+)","CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C","DNVXATUJJDPFDM-KRWDZBQOSA-N","46907787",NA,"PDBC02526","760183///764043","Present"
-"Jtc-801","","","","","","","","","","","","","","","","","","","","","JTC-801","CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N.Cl","NQLIYKXNAXKMBL-UHFFFAOYSA-N","5311339",NA,"PDBC02527","","Present"
-"JTE-607","","","","","","","","","","","","","","","","","","","","","JTE-607","CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2O)Cl)OCCN3CCN(CC3)C)Cl.Cl.Cl","JUJAUEQJEWIWCQ-FJSYBICCSA-N","9938544",NA,"PDBC02528","","Present"
-"K-858","","","","","","","","","","","","","","","","","","","","","K-858","CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C","JEFVYQYZCAVNTP-UHFFFAOYSA-N","2930014",NA,"PDBC02529","","Present"
-"K-Ras(G12C)-inhibitor-6","","","","","","","","","","","","","","","","","","","","","K-Ras(G12C)-inhibitor-6","C1CN(CCC1NC(=O)CCCS)C(=O)COC2=C(C=C(C=C2)Cl)Cl","ZPXCEHMKUTXHRZ-UHFFFAOYSA-N","71815954",NA,"PDBC02530","","Present"
-"5-(Tetradecyloxy)-2-furoic acid","","","","","","","","","","","","","","","","","","","","","KD-023","CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)O","CZRCFAOMWRAFIC-UHFFFAOYSA-N","115175",NA,"PDBC02531","","Present"
-"KD025","","","","","","","","","","","","","","","","","","","","","KD025","CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5","GKHIVNAUVKXIIY-UHFFFAOYSA-N","11950170",NA,"PDBC02532","","Present"
-"KF-38789","","","","","","","","","","","","","","","","","","","","","KF-38789","CC1=CC(=C(C(=O)O1)C2=NCCSC(C2)C3=C(C=C(C=C3)OC)OC)O","NHFIAAAMCYVRIW-UHFFFAOYSA-N","135400439",NA,"PDBC02533","","Present"
-"KI-16425","","","","","","","","","","","","","","","","","","","","","KI-16425","CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)CSCCC(=O)O","LLIFMNUXGDHTRO-UHFFFAOYSA-N","10367662",NA,"PDBC02534","","Present"
-"2'-Deoxy-5,6-dihydro-5-azacytidine","","","","","","","","","","","","","","","","","","","","","KP-1212","C1C(C(OC1N2CN=C(NC2=O)N)CO)O","LAOLDMMWVYDDID-KVQBGUIXSA-N","9859433",NA,"PDBC02535","","Present"
-"KPT-276","","","","","","","","","","","","","","","","","","","","(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triaz...","KPT-276","C1C(CN1C(=O)C=CN2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)(F)F","JCHAWRDHMUSLMM-UPHRSURJSA-N","71496742",NA,"PDBC02536","762445","Present"
-"KW-2478 free base","","","","","","","","","","","","","","","","","","","","","KW-2478","CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)OCCN3CCOCC3)OC)CC(=O)N(CCOC)CCOC","VFUXSYAXEKYYMB-UHFFFAOYSA-N","23116322",NA,"PDBC02537","","Present"
-"KY02111","","","","","","","","","","","","","","","","","","","","","KY02111","COC1=C(C=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)OC","LXFKEVQQSKQXPR-UHFFFAOYSA-N","8582409",NA,"PDBC02538","","Present"
-"L-798,106","","","","","","","","","","","","","","","","","","","","","L-798,106","COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(=O)C=CC2=CC=CC=C2CC3=CC4=CC=CC=C4C=C3","ODTKFNUPVBULRJ-NTCAYCPXSA-N","15551229",NA,"PDBC02539","","Present"
-"LB42708","","","","","","","","","","","","","","","","","","","","","LB42708","C1COCCN1C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC=C(C=C6)Br","GUUIRIMAQGOLHT-UHFFFAOYSA-N","10099206",NA,"PDBC02540","","Present"
-"LDN-212854","","","","","","","","","","","","","","","","","","","","","LDN-212854","C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=C6C=CC=NC6=CC=C5)N=C3","BBDGBGOVJPEFBT-UHFFFAOYSA-N","60182388",NA,"PDBC02541","","Present"
-"LDN-57444","","","","","","","","","","","","","","","","","","","","","LDN-57444","CC(=O)ON=C1C2=C(C=CC(=C2)Cl)N(C1=O)CC3=C(C=CC(=C3)Cl)Cl","OPQRFPHLZZPCCH-PGMHBOJBSA-N","16760696",NA,"PDBC02542","","Present"
-"Encorafenib","","","","","","","","","","","","","","","","","","","","Encorafenib","LGX818","CC(C)N1C=C(C(=N1)C2=C(C(=CC(=C2)Cl)NS(=O)(=O)C)F)C3=NC(=NC=C3)NCC(C)NC(=O)OC","CMJCXYNUCSMDBY-ZDUSSCGKSA-N","50922675",NA,"PDBC02543","778304","Present"
-"LY-2090314","","","","","","","","","","","","","","","","","","","","LY-2090314","LY2090314","C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7","HRJWTAWVFDCTGO-UHFFFAOYSA-N","10029385",NA,"PDBC02544","772198","Present"
-"LY2334737","","","","","","","","","","","","","","","","","","","","","LY2334737","CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)F","MEOYFIHNRBNEPI-UXIGCNINSA-N","11646777",NA,"PDBC02545","","Present"
-"Rabusertib","","","","","","","","","","","","","","","","","","","","NSC761188///NSC800860","LY2603618","CC1=CC(=C(C=C1Br)NC(=O)NC2=NC=C(N=C2)C)OCC3CNCCO3","SYYBDNPGDKKJDU-ZDUSSCGKSA-N","11955855",NA,"PDBC02546","761188///800860","Present"
-"Prexasertib","","","","","","","","","","","","","","","","","","","","LY-2606368","LY2606368","COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N","DOTGPNHGTYJDEP-UHFFFAOYSA-N","46700756",NA,"PDBC02547","758257","Present"
-"LY2608204","","","","","","","","","","","","","","","","","","","","","LY2608204","C1CCC(CC1)C2CC2(C3=CC=C(C=C3)S(=O)(=O)C4CC4)C(=O)NC5=NC=C(S5)SCCN6CCCC6","QIIVJLHCZUTGSD-CUBQBAPOSA-N","46832368",NA,"PDBC02548","","Present"
-"Gandotinib","","","","","","","","","","","","","","","","","","","","Gandotinib","LY2784544","CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)F","SQSZANZGUXWJEA-UHFFFAOYSA-N","46213929",NA,"PDBC02549","764820","Present"
-"Merestinib","","","","","","","","","","","","","","","","","","","","LY-2801653","LY2801653","CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F","QHADVLVFMKEIIP-UHFFFAOYSA-N","44603533",NA,"PDBC02550","772197","Present"
-"LY-2874455","","","","","","","","","","","","","","","","","","","","LY-2874455","LY2874455","CC(C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3C=CC4=CN(N=C4)CCO","GKJCVYLDJWTWQU-CXLRFSCWSA-N","46944259",NA,"PDBC02551","771750","Present"
-"Samotolisib","","","","","","","","","","","","","","","","","","","","NSC789968///NSC800994","LY3023414","CC(CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC","ACCFLVVUVBJNGT-AWEZNQCLSA-N","57519748",NA,"PDBC02552","789968///800994","Present"
-"2-Piperazinyl-8-phenyl-4H-1-benzopyran-4-one","","","","","","","","","","","","","","","","","","","","2-Piperazinyl-8-phenyl-4H-1-benzopyran-4-one","LY303511","C1CN(CCN1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4","NGAGMBNBKCDCDJ-UHFFFAOYSA-N","3971",NA,"PDBC02553","736787","Present"
-"4-(3-Pyridin-2-YL-1H-pyrazol-4-YL)quinoline","","","","","","","","","","","","","","","","","","","","","LY364947","C1=CC=C2C(=C1)C(=CC=N2)C3=C(NN=C3)C4=CC=CC=N4","IBCXZJCWDGCXQT-UHFFFAOYSA-N","447966",NA,"PDBC02554","","Present"
-"6-Methoxy-N-(4-methoxyphenyl)quinazolin-4-amine","","","","","","","","","","","","","","","","","","","","","LY456236","COC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)OC","XPJOMFBGKIABQW-UHFFFAOYSA-N","9926999",NA,"PDBC02555","","Present"
-"m344","","","","","","","","","","","","","","","","","","","","m344","M-344","CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO","MXWDSZWTBOCWBK-UHFFFAOYSA-N","3994",NA,"PDBC02556","718169","Present"
-"MEK1-2-inhibitor","","","","","","","","","","","","","","","","","","","","","MEK1-2-inhibitor","C1=CC=C(C(=C1)C(C#N)C(=N)SC2=CC=C(C=C2)N)C(F)(F)F","XQRVCODIGHFXKQ-UHFFFAOYSA-N","54483521",NA,"PDBC02557","","Present"
-"Binimetinib","","","","","","","","","","","","","","","","","","","","ARRY-162///Binimetinib","MEK162","CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO","ACWZRVQXLIRSDF-UHFFFAOYSA-N","10288191",NA,"PDBC02558","764042///799361","Present"
-"MK-0773","","","","","","","","","","","","","","","","","","","","","MK-0773","CC12CCC3C(C1CCC2C(=O)NCC4=NC5=C(N4)C=CC=N5)CCC6C3(C=C(C(=O)N6C)F)C","GBEUKTWTUSPHEE-JWJWXJQQSA-N","11950726",NA,"PDBC02559","","Present"
-"MK-0812","","","","","","","","","","","","","","","","","","","","","MK-0812","CC(C)C1(CCC(C1)NC2CCOCC2OC)C(=O)N3CCC4=C(C3)C=C(C=N4)C(F)(F)F","MTMDXAIUENDNDL-RJSMDTJLSA-N","11180808",NA,"PDBC02560","","Present"
-"MK-2461","","","","","","","","","","","","","","","","","","","","MK-2461","MK-2461","CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)NS(=O)(=O)N(C)CC5COCCO5)N=C2","JGEBLDKNWBUGRZ-HXUWFJFHSA-N","44137946",NA,"PDBC02561","764580","Present"
-"MK-3207","","","","","","","","","","","","","","","","","","","","","MK-3207","C1CCC2(C1)C(=O)N(C(CN2)C3=CC(=CC(=C3)F)F)CC(=O)NC4=CC5=C(CC6(C5)C7=C(NC6=O)N=CC=C7)C=C4","AZAANWYREOQRFB-SETSBSEESA-N","25019940",NA,"PDBC02562","","Present"
-"MK-8245","","","","","","","","","","","","","","","","","","","","","MK-8245","C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NOC(=C3)C4=NN(N=N4)CC(=O)O","UJEAABFSXKCSGI-UHFFFAOYSA-N","24988881",NA,"PDBC02563","","Present"
-"MK-8745","","","","","","","","","","","","","","","","","","","","","MK-8745","C1CN(CCN1CC2=NC(=CC=C2)NC3=NC=CS3)C(=O)C4=C(C(=CC=C4)Cl)F","YCRFPWKUUNKNDN-UHFFFAOYSA-N","11676373",NA,"PDBC02564","","Present"
-"N-(4-Methoxybenzyl)-1-(naphthalen-1-yl)methanamine","","","","","","","","","","","","","","","","","","","","","ML133","COC1=CC=C(C=C1)CNCC2=CC=CC3=CC=CC=C32","GIFYKGIODMXYNT-UHFFFAOYSA-N","781301",NA,"PDBC02565","","Present"
-"MLN8054","","","","","","","","","","","","","","","","","MLN8054","","","","MLN-8054","","","11712649",NA,"PDBC02566","","Present"
-"Sapanisertib","","","","","","","","","","","","","","","","","INK-128","INK 128","","3-(2-aminobenzo[d]oxazol-5-yl)-1-isopropyl-1H-pyrazolo[3...///INK-128///Sapanisertib","MLN0128","","","45375953",NA,"PDBC02567","780880///764658///800875","Present"
-"MNS-(3,4-Methylenedioxy-Nitrostyrene)","","","","","","","","","","","","","","","","","","","","","MNS-(3,4-Methylenedioxy-nitrostyrene)","","","",NA,"PDBC02568","","Present"
-"MPI-0479605","","","","","","","","","","","","","","","","","","","","","MPI-0479605","CC1=C(C=CC(=C1)N2CCOCC2)NC3=NC4=C(C(=N3)NC5CCCCC5)NC=N4","OVJBNYKNHXJGSA-UHFFFAOYSA-N","46909588",NA,"PDBC02569","","Present"
-"MRS 1220","","","","","","","","","","","","","","","","","","","","MRS 1220","MRS-1220","C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C(C=C3)Cl)C4=NC(=NN42)C5=CC=CO5","TWWFAXQOKNBUCR-UHFFFAOYSA-N","393595",NA,"PDBC02570","695674","Present"
-"MTPG","","","","","","","","","","","","","","","","","","","","","MTPG","","","",NA,"PDBC02571","","Present"
-"N-Acetylmannosamine","","","","","","","","","","","","","","","","","","","","","N-acetylmannosamine","CC(=O)NC1C(C(C(OC1O)CO)O)O","OVRNDRQMDRJTHS-OZRXBMAMSA-N","11096158",NA,"PDBC02572","","Present"
-"NAN-190","","","","","","","","","","","","","","","","","","","","","NAN-190","COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O","SJDOMIRMMUGQQK-UHFFFAOYSA-N","4431",NA,"PDBC02573","","Present"
-"NMS-1286937","","","","","","","","","","","","","","","","","","","","NSC781344///NSC800806","NMS-1286937","CN1CCN(CC1)C2=CC(=C(C=C2)OC(F)(F)F)NC3=NC=C4CCC5=C(C4=N3)N(N=C5C(=O)N)CCO","QHLVBNKYJGBCQJ-UHFFFAOYSA-N","49792852",NA,"PDBC02574","781344///800806","Present"
-"NMS-873","","","","","","","","","","","","","","","","","","","","","NMS-873","CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CN=CC=C3)SC4CCCC4)C5=CC=C(C=C5)S(=O)(=O)C","UJGTUKMAJVCBIS-UHFFFAOYSA-N","71521142",NA,"PDBC02575","","Present"
-"NMS-E973","","","","","","","","","","","","","","","","","","","","","NMS-E973","CN1CCC(CC1)NC(=O)C2=NOC(=C2)C3=C(C=C(C=C3OC4=CC=C(C=C4)[N+](=O)[O-])O)O","YLQODGGPIHWTHR-UHFFFAOYSA-N","135566652",NA,"PDBC02576","","Present"
-"5-Nitroso-8-hydroxyquinoline","","","","","","","","","","","","","","","","","","","","Hydron III","NSC-3852","C1=CC2=C(C=CC(=C2N=C1)O)N=O","RZWRYPGAUIOOMK-UHFFFAOYSA-N","19103",NA,"PDBC02577","3852","Present"
-"2-[(4-Methylphenyl)sulfonyl]-5-nitrofuran","","","","","","","","","","","","","","","","","","","","2-Nitro-5-p-toluenesulfonylfuran","NSC-697923","CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)[N+](=O)[O-]","GAUHIPWCDXOLCZ-UHFFFAOYSA-N","394449",NA,"PDBC02578","697923","Present"
-"6-Cyclohexylmethyloxy-5-nitroso-pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","2,6-diamino-4-cyclohexylmethoxy-5-nitrosopyrimidine///NU-6027","NU6027","C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)N","DGWXOLHKVGDQLN-UHFFFAOYSA-N","398148",NA,"PDBC02579","707616///756874","Present"
-"NVP-BHG712","","","","","","","","","","","","","","","","","","","","NVP-BHG712","NVP-BHG712","CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C","ZCCPLJOKGAACRT-UHFFFAOYSA-N","16747388",NA,"PDBC02580","820919","Present"
-"NVP-BVU972","","","","","","","","","","","","","","","","","","","","","NVP-BVU972","CN1C=C(C=N1)C2=NN3C(=NC=C3CC4=CC5=C(C=C4)N=CC=C5)C=C2","RNCNPRCUHHDYPC-UHFFFAOYSA-N","44206063",NA,"PDBC02581","","Present"
-"TAE-226","","","","","","","","","","","","","","","","","","","","TAE-226","NVP-TAE226","CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC","UYJNQQDJUOUFQJ-UHFFFAOYSA-N","9934347",NA,"PDBC02582","787252","Present"
-"N-Oleoyldopamine","","","","","","","","","","","","","","","","","","","","","OLDA","CCCCCCCCC=CCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O","QQBPLXNESPTPNU-KTKRTIGZSA-N","5282106",NA,"PDBC02583","","Present"
-"ONC201","","","","","","","","","","","","","","","","","","","","","ONC201","CC1=CC=CC=C1CN2C(=O)C3=C(CCN(C3)CC4=CC=CC=C4)N5C2=NCC5","VLULRUCCHYVXOH-UHFFFAOYSA-N","73777259",NA,"PDBC02584","","Present"
-"ONX-0914","","","","","","","","","","","","","","","","","","","","","ONX-0914","CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(CO3)C)NC(=O)CN4CCOCC4","WQAVPPWWLLVGFK-VTNASVEKSA-N","23642227",NA,"PDBC02585","","Present"
-"OSI-420","","","","","","","","","","","","","","","","","","","","","OSI-420","COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCO.Cl","BUOXOWNQZVIETJ-UHFFFAOYSA-N","18924996",NA,"PDBC02586","","Present"
-"Otssp167","","","","","","","","","","","","","","","","","","","","OTSSP167","OTS167","CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl","DKZYXHCYPUVGAF-UHFFFAOYSA-N","135398499",NA,"PDBC02587","801013","Present"
-"P-276-00","","","","","","","","","","","","","","","","","","","","P-276-00","P276-00","CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O","QLUYMIVVAYRECT-OCCSQVGLSA-N","23643976",NA,"PDBC02588","800813","Present"
-"P5091","","","","","","","","","","","","","","","","","","","","","P5091","CC(=O)C1=CC(=C(S1)SC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-]","LKZLGMAAKNEGCH-UHFFFAOYSA-N","2819993",NA,"PDBC02589","","Present"
-"Abexinostat","","","","","","","","","","","","","","","","","","","","Abexinostat","PCI-24781","CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO","MAUCONCHVWBMHK-UHFFFAOYSA-N","11749858",NA,"PDBC02590","764136","Present"
-"4-[(3-Bromophenyl)amino]-6-acrylamidoquinazoline","","","","","","","","","","","","","","","","","","","","","PD-168393","C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br","HTUBKQUPEREOGA-UHFFFAOYSA-N","4708",NA,"PDBC02591","","Present"
-"PD-198306","","","","","","","","","","","","","","","","","","","","","PD-198306","CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2C(=O)NOCC3CC3)F)F)F","UHAXDAKQGVISBZ-UHFFFAOYSA-N","9956637",NA,"PDBC02592","","Present"
-"PD-407824","","","","","","","","","","","","","","","","","","","","","PD-407824","C1=CC=C(C=C1)C2=CC3=C(C4=C(N3)C=CC(=C4)O)C5=C2C(=O)NC5=O","IAUZTOZLTFSMIE-UHFFFAOYSA-N","4369491",NA,"PDBC02593","","Present"
-"Petcm","","","","","","","","","","","","","","","","","","","","Petcm","PETCM","C1=CN=CC=C1CC(C(Cl)(Cl)Cl)O","NGTDJJKTGRNNAU-UHFFFAOYSA-N","224859",NA,"PDBC02594","13699","Present"
-"Incb8761(PF-4136309)","","","","","","","","","","","","","","","","","","","","PF-04136309","PF-04136309","C1CC(CCC1NC2CCN(C2)C(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F)(C4=NC=C(C=C4)C5=NC=CC=N5)O","ZNSVOHSYDRPBGI-CBQRAPNFSA-N","11192346",NA,"PDBC02595","796433","Present"
-"PF-04457845","","","","","","","","","","","","","","","","","","","","","PF-04457845","C1CN(CCC1=CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=NN=CC=C4","BATCTBJIJJEPHM-UHFFFAOYSA-N","24771824",NA,"PDBC02596","","Present"
-"Gedatolisib","","","","","","","","","","","","","","","","","","","","PKI-587///Gedatolisib","PF-05212384","CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6","DWZAEMINVBZMHQ-UHFFFAOYSA-N","44516953",NA,"PDBC02597","758256///801014","Present"
-"PF-477736","","","","","","","","","","","","","","","","","","","","NSC763444///NSC800848","PF-477736","CN1C=C(C=N1)C2=C3C=NNC(=O)C4=C3C(=CC(=C4)NC(=O)C(C5CCCCC5)N)N2","NDEXUOWTGYUVGA-LJQANCHMSA-N","135565545",NA,"PDBC02598","763444///800848","Present"
-"CYP3cide","","","","","","","","","","","","","","","","","","","","","PF-4981517","CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CCC(C5)N6CCCCC6)C","WDWIMDKOXZZYHH-FQEVSTJZSA-N","71315139",NA,"PDBC02599","","Present"
-"PFK-015","","","","","","","","","","","","","","","","","","","","","PFK-015","C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)C3=CC=NC=C3","UJJUKZPBUMCSJZ-BQYQJAHWSA-N","25142799",NA,"PDBC02600","","Present"
-"PHA-680632","","","","","","","","","","","","","","","","","","","","","PHA-680632","CCC1=C(C(=CC=C1)CC)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C","OBWNXGOQPLDDPS-UHFFFAOYSA-N","11249084",NA,"PDBC02601","","Present"
-"PHA-767491","","","","","","","","","","","","","","","","","","","","","PHA-767491","C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3","DKXHSOUZPMHNIZ-UHFFFAOYSA-N","11715767",NA,"PDBC02602","","Present"
-"Milciclib","","","","","","","","","","","","","","","","","","","","NSC800792","PHA-848125","CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC=C(C=C4)N5CCN(CC5)C)C","RXZMYLDMFYNEIM-UHFFFAOYSA-N","16718576",NA,"PDBC02603","800792","Present"
-"PI-828","","","","","","","","","","","","","","","","","","","","","PI-828","C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)N","WUKMIBOGGXMBAC-UHFFFAOYSA-N","25181195",NA,"PDBC02604","","Present"
-"Bimiralisib","","","","","","","","","","","","","","","","","","","","PQR-309","PI3K-IN-2","C1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4","ADGGYDAFIHSYFI-UHFFFAOYSA-N","58507717",NA,"PDBC02605","785117","Present"
-"PKI-179","","","","","","","","","","","","","","","","","","","","","PKI-179","C1CC2COCC1N2C3=NC(=NC(=N3)N4CCOCC4)C5=CC=C(C=C5)NC(=O)NC6=CC=NC=C6","WXUUCRLKXQMWRY-UHFFFAOYSA-N","46947264",NA,"PDBC02606","","Present"
-"PP-1","","","","","","","","","","","","","","","","","","","","","PP-1","CC1=CC=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C(C)(C)C","ZVPDNRVYHLRXLX-UHFFFAOYSA-N","1400",NA,"PDBC02607","","Present"
-"PP-121","","","","","","","","","","","","","","","","","","","","","PP-121","C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN=C5C(=C4)C=CN5)N","NVRXTLZYXZNATH-UHFFFAOYSA-N","24905142",NA,"PDBC02608","","Present"
-"PP-2","","","","","","","","","","","","","","","","","","","","","PP-2","CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N","PBBRWFOVCUAONR-UHFFFAOYSA-N","4878",NA,"PDBC02609","","Present"
-"PP242","","","","","","","","","","","","","","","","","PP242","","","Pp-242","PP242","","","135565635",NA,"PDBC02610","764515","Present"
-"Propyl pyrazole triol","","","","","","","","","","","","","","","","","","","","","PPT","CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","IOTXSIGGFRQYKW-UHFFFAOYSA-N","5040063",NA,"PDBC02611","","Present"
-"PQ-401","","","","","","","","","","","","","","","","","","","","","PQ-401","CC1=NC2=CC=CC=C2C(=C1)NC(=O)NC3=C(C=CC(=C3)Cl)OC","YBLWOZUPHDKFOT-UHFFFAOYSA-N","9549305",NA,"PDBC02612","","Present"
-"3,5-Dithiocyanatopyridine-2,6-diamine","","","","","","","","","","","","","","","","","","","","","PR-619","C1=C(C(=NC(=C1SC#N)N)N)SC#N","ZXOBLNBVNROVLC-UHFFFAOYSA-N","2817763",NA,"PDBC02613","","Present"
-"Cerdulatinib","","","","","","","","","","","","","","","","","","","","Cerdulatinib","PRT062070","CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N","BGLPECHZZQDNCD-UHFFFAOYSA-N","44595079",NA,"PDBC02614","825827","Present"
-"PSB-1115","","","","","","","","","","","","","","","","","","","","","PSB-1115","CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O","UYDRRQPGDSIMNU-UHFFFAOYSA-N","5311479",NA,"PDBC02615","","Present"
-"Unii-V14CN8M621","","","","","","","","","","","","","","","","","","","","","PSI-7976","CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3","TTZHDVOVKQGIBA-YBSJRAAASA-N","45375809",NA,"PDBC02616","","Present"
-"PTC-209","","","","","","","","","","","","","","","","","","PTC-209","","","PTC-209","","","",NA,"PDBC02617","","Present"
-"PU-H71","","","","","","","","","","","","","","","","","","PU-H71 (HSP90 inhibitor)","","pu-h71.2hcl","PU-H71","CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N.Cl","HUAKDRZHOBLKGD-UHFFFAOYSA-N","54613037",NA,"PDBC02618","750424","Present"
-"R-306465","","","","","","","","","","","","","","","","","","","","R-306465","R306465","C1CN(CCN1C2=NC=C(C=N2)C(=O)NO)S(=O)(=O)C3=CC4=CC=CC=C4C=C3","MUTBJZVSRNUIHA-UHFFFAOYSA-N","10309899",NA,"PDBC02619","773264","Present"
-"R406 Benzenesulfonate","","","","","","","","","","","","","","","","","","","","","R406","CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)O","UXDRJPYSTZHIOE-UHFFFAOYSA-N","11984591",NA,"PDBC02620","","Present"
-"R547","","","","","","","","","","","","","","","","","","","","NSC773094///NSC800859","R547","COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C","JRNJNYBQQYBCLE-UHFFFAOYSA-N","6918852",NA,"PDBC02621","773094///800859","Present"
-"RG2833","","","","","","","","","","","","","","","","","","","","","RG2833","CC1=CC=C(C=C1)C(=O)NCCCCCC(=O)NC2=CC=CC=C2N","VOPDXHFYDJAYNS-UHFFFAOYSA-N","56654642",NA,"PDBC02622","","Present"
-"RGFP966","","","","","","","","","","","","","","","","","","","","","RGFP966","C1=CC=C(C=C1)C=CCN2C=C(C=N2)C=CC(=O)NC3=C(C=C(C=C3)F)N","BLVQHYHDYFTPDV-VCABWLAWSA-N","56650312",NA,"PDBC02623","","Present"
-"RI-1","","","","","","","","","","","","","","","","","","","","","RI-1","C1COCCN1C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl","MWSUIZKGNWELRF-UHFFFAOYSA-N","1074953",NA,"PDBC02624","","Present"
-"RKI-1447","","","","","","","","","","","","","","","","","","","","","RKI-1447","C1=CC(=CC(=C1)O)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3","GDVRVPIXWXOKQO-UHFFFAOYSA-N","60138149",NA,"PDBC02625","","Present"
-"2,4-Dichloro-N-isopropyl-N-(2-isopropylaminoethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","","RN-1734","CC(C)NCCN(C(C)C)S(=O)(=O)C1=C(C=C(C=C1)Cl)Cl","IHYZMEAZAIFMTN-UHFFFAOYSA-N","3601086",NA,"PDBC02626","","Present"
-"RS-16566","","","","","","","","","","","","","","","","","","","","","RS-16566","CC(C)N1C=NC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4","OGXMGJGFLBSEJW-HNNXBMFYSA-N","6604794",NA,"PDBC02627","","Present"
-"RS-17053","","","","","","","","","","","","","","","","","","","","","RS-17053","CC(C)(CC1=CNC2=C1C=C(C=C2)Cl)NCCOC3=CC=CC=C3OCC4CC4","XLZHXAXXJVKTFM-UHFFFAOYSA-N","3894573",NA,"PDBC02628","","Present"
-"RS-504393","","","","","","","","","","","","","","","","","","","","","RS-504393","CC1=CC2=C(C=C1)NC(=O)OC23CCN(CC3)CCC4=C(OC(=N4)C5=CC=CC=C5)C","ODNICNWASXKNNQ-UHFFFAOYSA-N","9953769",NA,"PDBC02629","","Present"
-"RS-67506","","","","","","","","","","","","","","","","","","","","","RS-67506","COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N","UATDVRSFFGFTAI-UHFFFAOYSA-N","133076",NA,"PDBC02630","","Present"
-"RU-58841","","","","","","","","","","","","","","","","","","","","","RU-58841","CC1(C(=O)N(C(=O)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C","ARBYGDBJECGMGA-UHFFFAOYSA-N","132981",NA,"PDBC02631","","Present"
-"Ro-04-5595","","","","","","","","","","","","","","","","","","","","","Ro-04-5595","CN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)O)OC","DSTWURHEHMZWEI-UHFFFAOYSA-N","46740",NA,"PDBC02632","","Present"
-"Ro-10-5824","","","","","","","","","","","","","","","","","","","","","Ro-10-5824","CC1=NC=C(C(=N1)N)CN2CCC(=CC2)C3=CC=CC=C3","KABDATZAOUSYES-UHFFFAOYSA-N","16759175",NA,"PDBC02633","","Present"
-"6-(Benzenesulfinyl)tetrazolo[1,5-b]pyridazine","","","","","","","","","","","","","","","","","","","","","Ro-106-9920","C1=CC=C(C=C1)S(=O)C2=NN3C(=NN=N3)C=C2","JFSXSNSCPNFCDM-UHFFFAOYSA-N","3906779",NA,"PDBC02634","","Present"
-"Ro-4987655","","","","","","","","","","","","","","","","","","","","RO-4987655///NSC800870","Ro-4987655","C1CC(=O)N(OC1)CC2=CC(=C(C(=C2F)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCCO","FIMYFEGKMOCQKT-UHFFFAOYSA-N","11548630",NA,"PDBC02635","762521///800870","Present"
-"Ro-90-7501","","","","","","","","","","","","","","","","","","","","","Ro-90-7501","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N)N","PAGZCEHLFCJSPV-UHFFFAOYSA-N","824226",NA,"PDBC02636","","Present"
-"Ro-9187","","","","","","","","","","","","","","","","","","","","","Ro-9187","C1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O","ODLGMSQBFONGNG-XZMZPDFPSA-N","11514721",NA,"PDBC02637","","Present"
-"S-Methyl-L-cysteine","","","","","","","","","","","","","","","","","","","","","S-methylcysteine","CSCC(C(=O)O)N","IDIDJDIHTAOVLG-VKHMYHEASA-N","24417",NA,"PDBC02638","","Present"
-"S26948","","","","","","","","","","","","","","","","","","","","","S26948","COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O)C(=O)OC","NSMJEHGOMXSLCW-UHFFFAOYSA-N","9958279",NA,"PDBC02639","","Present"
-"SAR131675","","","","","","","","","","","","","","","","","","","","","SAR131675","CCN1C(=C(C(=O)C2=C1N=C(C=C2)C#CC(C)(COC)O)C(=O)NC)N","PFMPOBVAYMTUOX-GOSISDBHSA-N","71295845",NA,"PDBC02640","","Present"
-"SB-200646","","","","","","","","","","","","","","","","","","","","","SB-200646","CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3","OJZZJTLBYXHUSJ-UHFFFAOYSA-N","126769",NA,"PDBC02641","","Present"
-"SB-205384","","","","","","","","","","","","","","","","","","","","","SB-205384","CC#CCOC(=O)C1=C(N=C2C(=C1N)C3=C(S2)CC(CC3)O)C","JDTZAGLGBRRCJT-UHFFFAOYSA-N","197690",NA,"PDBC02642","","Present"
-"SB-216641","","","","","","","","","","","","","","","","","","","","","SB-216641","CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)OCCN(C)C","JRNUKVFYILMMLX-UHFFFAOYSA-N","3292447",NA,"PDBC02643","","Present"
-"SB-218795","","","","","","","","","","","","","","","","","","","","","SB-218795","COC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","IUMQXQJZIHWLIN-HSZRJFAPSA-N","6604858",NA,"PDBC02644","","Present"
-"SB-228357","","","","","","","","","","","","","","","","","","","","","SB-228357","COC1=C(C=C2C(=C1)CCN2C(=O)NC3=CC(=CC(=C3)C4=CN=CC=C4)F)C(F)(F)F","RRJLJKRFFRZRAF-UHFFFAOYSA-N","443390",NA,"PDBC02645","","Present"
-"SB-2343","","","","","","","","","","","","","","","","","","","","NSC778810///NSC800991","SB-2343","CC1=NC2=C(N=C(N=C2N1C(C)C)N3CCOCC3)C4=CN=C(N=C4)N","QYBGBLQCOOISAR-UHFFFAOYSA-N","46912230",NA,"PDBC02646","778810///800991","Present"
-"SB-239063","","","","","","","","","","","","","","","","","","","","SB-239063","SB-239063","COC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F","ZQUSFAUAYSEREK-UHFFFAOYSA-N","5166",NA,"PDBC02647","756653","Present"
-"SB-242235","","","","","","","","","","","","","","","","","","","","","SB-242235","COC1=NC=CC(=N1)C2=C(N=CN2C3CCNCC3)C4=CC=C(C=C4)F","PDTYLGXVBIWRIM-UHFFFAOYSA-N","9863367",NA,"PDBC02648","","Present"
-"N-(3-Methoxyphenyl)-4-chlorocinnamanilide","","","","","","","","","","","","","","","","","","","","","SB-366791","COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl","RYAMDQKWNKKFHD-JXMROGBWSA-N","667594",NA,"PDBC02649","","Present"
-"SB-657510","","","","","","","","","","","","","","","","","","","","","SB-657510","CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br)Cl","KQCZCINJGIRLCD-CYBMUJFWSA-N","11272107",NA,"PDBC02650","","Present"
-"Pracinostat","","","","","","","","","","","","","","","","","","","","Pracinostat","SB-939","CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)C=CC(=O)NO","JHDKZFFAIZKUCU-ZRDIBKRKSA-N","49855250",NA,"PDBC02651","758249","Present"
-"Vidofludimus","","","","","","","","","","","","","","","","","","","","","SC-12267","COC1=CC=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F","XPRDUGXOWVXZLL-UHFFFAOYSA-N","9820008",NA,"PDBC02652","","Present"
-"SC-144","","","","","","","","","","","","","","","","","","","","","SC-144","C1=CN2C3=C(C=C(C=C3)F)N=C(C2=C1)NNC(=O)C4=NC=CN=C4","UEADAWQSJOWXBK-UHFFFAOYSA-N","400169",NA,"PDBC02653","","Present"
-"SCH-58261","","","","","","","","","","","","","","","","","","","","","SCH-58261","C1=CC=C(C=C1)CCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5","UTLPKQYUXOEJIL-UHFFFAOYSA-N","176408",NA,"PDBC02654","","Present"
-"SCH-900776","","","","","","","","","","","","","","","","","","","","","SCH-900776","CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)C4CCCNC4","GMIZZEXBPRLVIV-SECBINFHSA-N","46239015",NA,"PDBC02655","","Present"
-"SCS","","","","","","","","","","","","","","","","","","","","","SCS","C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2O)O","OMCYEZUIYGPHDJ-UHFFFAOYSA-N","76707",NA,"PDBC02656","","Present"
-"Sdz-wag-994","","","","","","","","","","","","","","","","","","","","","SDZ-WAG-994","COC1C(C(OC1N2C=NC3=C(N=CN=C32)NC4CCCCC4)CO)O","JAKAFSGZUXCHLF-LSCFUAHRSA-N","164305",NA,"PDBC02657","","Present"
-"SGI-1027","","","","","","","","","","","","","","","","","","","","SGI-1027","SGI-1027","CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54","QSYLKMKIVWJAAK-UHFFFAOYSA-N","24858111",NA,"PDBC02658","783333","Present"
-"SGI-1776","","","","","","","","","","","","","","","","","","SGI-1776 free base","","SGI-1776","SGI-1776","","","",NA,"PDBC02659","800883///757333","Present"
-"6-Methyl-2-(phenylazo)-3-pyridinol","","","","","","","","","","","","","","","","","","","","","SIB-1757","CC1=NC(=C(C=C1)O)N=NC2=CC=CC=C2","LOCPVWIREQIGNQ-UHFFFAOYSA-N","5218788",NA,"PDBC02660","","Present"
-"SID-7969543","","","","","","","","","","","","","","","","","","","","","SID-7969543","CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCO4","KWMBIIQCLUIHDI-OAHLLOKOSA-N","2149494",NA,"PDBC02661","","Present"
-"SKF-96365","","","","","","","","","","","","","","","","","","","SKF-96365","","SKF-96365","COC1=CC=C(C=C1)CCCOC(CN2C=CN=C2)C3=CC=C(C=C3)OC.Cl","FWLPKVQUECFKSW-UHFFFAOYSA-N","104955",NA,"PDBC02662","","Present"
-"SMI-4a","","","","","","","","","","","","","","","","","","","","","SMI-4a","C1=CC(=CC(=C1)C(F)(F)F)C=C2C(=O)NC(=O)S2","NGJLOFCOEOHFKQ-YVMONPNESA-N","1361334",NA,"PDBC02663","","Present"
-"SNS-314","","","","","","","","","","","","","","","","","","","","NSC758250///NSC800886","SNS-314","C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=C(S2)CCNC3=NC=NC4=C3SC=C4","FAYAUAZLLLJJGH-UHFFFAOYSA-N","24995524",NA,"PDBC02664","758250///800886","Present"
-"Snx-5422","","","","","","","","","","","","","","","","","","","","SNX-5422","SNX-5422","CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)C","AVDSOVJPJZVBTC-UHFFFAOYSA-N","44195571",NA,"PDBC02665","768509","Present"
-"Lintitript","","","","","","","","","","","","","","","","","","","","","SR-27897","C1=CC=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl","ILNRQFBVVQUOLP-UHFFFAOYSA-N","122077",NA,"PDBC02666","","Present"
-"SR-33805","","","","","","","","","","","","","","","","","","","","","SR-33805","CC(C)C1=C(N(C2=CC=CC=C21)C)S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC","GCVFQRRBTCHIPK-UHFFFAOYSA-N","9850876",NA,"PDBC02667","","Present"
-"4-Amino-1-(6-chloro-2-pyridyl)-piperidine hydrochloride","","","","","","","","","","","","","","","","","","","","","SR-57227A","C1CN(CCC1N)C2=NC(=CC=C2)Cl.Cl","FUMINTAAUJUVMP-UHFFFAOYSA-N","131746",NA,"PDBC02668","","Present"
-"Apilimod","","","","","","","","","","","","","","","","","","","","","STA-5326","CC1=CC(=CC=C1)C=NNC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4","HSKAZIJJKRAJAV-KOEQRZSOSA-N","10173277",NA,"PDBC02669","","Present"
-"STF-118804","","","","","","","","","","","","","","","","","","","","","STF-118804","CC1=CC=C(C=C1)S(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C","DLFCEZOMHBPDGI-UHFFFAOYSA-N","20916937",NA,"PDBC02670","","Present"
-"SU-14813","","","","","","","","","","","","","","","","","","","","SU-14813","SU014813","CC1=C(NC(=C1C(=O)NCC(CN2CCOCC2)O)C)C=C3C4=C(C=CC(=C4)F)NC3=O","CTNPALGJUAXMMC-PMFHANACSA-N","10138259",NA,"PDBC02671","800936","Present"
-"Halicin","","","","","","","","","","","","","","","","","","","","","SU3327","C1=C(SC(=N1)SC2=NN=C(S2)N)[N+](=O)[O-]","NQQBNZBOOHHVQP-UHFFFAOYSA-N","11837140",NA,"PDBC02672","","Present"
-"Tak-285","","","","","","","","","","","","","","","","","","","","TAK-285","TAK-285","CC(C)(CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl)O","ZYQXEVJIFYIBHZ-UHFFFAOYSA-N","11620908",NA,"PDBC02673","800938","Present"
-"TAK-632","","","","","","","","","","","","","","","","","","","","TAK-632","TAK-632","C1CC1C(=O)NC2=NC3=C(S2)C(=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)C#N","OJFKUJDRGJSAQB-UHFFFAOYSA-N","46209401",NA,"PDBC02674","778809","Present"
-"TAK-733","","","","","","","","","","","","","","","","","","","","NSC761215///NSC800940","TAK-733","CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)CC(CO)O","RCLQNICOARASSR-SECBINFHSA-N","24963252",NA,"PDBC02675","761215///800940","Present"
-"Tak-901","","","","","","","","","","","","","","","","","","","","NSC762151///NSC803712","TAK-901","CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=C(N3)N=CC(=C4)C)C)C(=O)NC5CCN(CC5)C","WKDACQVEJIVHMZ-UHFFFAOYSA-N","16124208",NA,"PDBC02676","762151///803712","Present"
-"Tame","","","","","","","","","","","","","","","","","","","","","TAME","CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC","FKMJXALNHKIDOD-LBPRGKRZSA-N","1550286",NA,"PDBC02677","","Present"
-"TAS-103 free base","","","","","","","","","","","","","","","","","","","","","TAS-103","CN(C)CCNC1=NC2=C(C=CC(=C2)O)C3=C1C(=O)C4=CC=CC=C43","ROWSTIYZUWEOMM-UHFFFAOYSA-N","135413533",NA,"PDBC02678","","Present"
-"TC1","","","","","","","","","","","","","","","","","","","","","TC1","C1C2C3C4C1C5C2C6C3C4C5(N6CCC7=CC(=CC=C7)F)O","FYGREZKTJIXWIH-APDWONGJSA-N","155903756",NA,"PDBC02679","","Present"
-"Zotiraciclib","","","","","","","","","","","","","","","","","","","","NSC762673","TG-02","CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1","VXBAJLGYBMTJCY-NSCUHMNNSA-N","16739650",NA,"PDBC02680","762673","Present"
-"TG-100572","","","","","","","","","","","","","","","","","","","","TG-100572","TG-100572","CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)O)Cl","AQSSMEORRLJZLU-UHFFFAOYSA-N","11712625",NA,"PDBC02681","800949","Present"
-"3-(2,4-Diaminopteridin-6-yl)phenol","","","","","","","","","","","","","","","","","","","","","TG-100713","C1=CC(=CC(=C1)O)C2=CN=C3C(=N2)C(=NC(=N3)N)N","UOORQSPLBHUQDQ-UHFFFAOYSA-N","17751063",NA,"PDBC02682","","Present"
-"TG-101209","","","","","","","","","","","","","","","","","","","","","TG-101209","CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)N4CCN(CC4)C","JVDOKQYTTYUYDV-UHFFFAOYSA-N","16722832",NA,"PDBC02683","","Present"
-"Evofosfamide","","","","","","","","","","","","","","","","","","","","","TH-302","CN1C(=CN=C1[N+](=O)[O-])COP(=O)(NCCBr)NCCBr","UGJWRPJDTDGERK-UHFFFAOYSA-N","11984561",NA,"PDBC02684","","Present"
-"TMC-353121","","","","","","","","","","","","","","","","","","","","","TMC-353121","CC1=CC(=C(C=C1)CCCO)NCC2=CC3=C(C=C2)N=C(N3CC4=C(C=CC(=N4)C)O)NCCCN5CCOCC5","DKORMNNYNRPTBJ-UHFFFAOYSA-N","11249932",NA,"PDBC02685","","Present"
-"2,3',4,5'-Tetramethoxystilbene","","","","","","","","","","","","","","","","","","","","","TMS","COC1=CC(=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC","JDBCWSHYEQUBLW-AATRIKPKSA-N","5354004",NA,"PDBC02686","","Present"
-"Azeloyl diethyl salicylate","","","","","","","","","","","","","","","","","","","","","TU-2100","CCOC(=O)C1=CC=CC=C1OC(=O)CCCCCCCC(=O)OC2=CC=CC=C2C(=O)OCC","LIBAUACOIKWWKP-UHFFFAOYSA-N","4342838",NA,"PDBC02687","","Present"
-"U-0126","","","","","","","","","","","","","","","","","","","","","U-0126","C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N","DVEXZJFMOKTQEZ-JYFOCSDGSA-N","3006531",NA,"PDBC02688","","Present"
-"3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride","","","","","","","","","","","","","","","","","","","","","U-18666A","CCN(CC)CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C.Cl","GZFYZYBWLCYBMI-MYZJJQSMSA-N","9954082",NA,"PDBC02689","","Present"
-"UH-232-(+)","","","","","","","","","","","","","","","","","","","","","UH-232-(+)","CCCN(CCC)C1CCC2=C(C1C)C=CC=C2OC","BTOJYCTUJJHANF-WMLDXEAASA-N","6604756",NA,"PDBC02690","","Present"
-"UK-383367","","","","","","","","","","","","","","","","","","","","","UK-383367","C1CCC(CC1)CCCC(CC(=O)NO)C2=NC(=NO2)C(=O)N","ARJCBSRIPGJMAD-LLVKDONJSA-N","9818682",NA,"PDBC02691","","Present"
-"UNBS-5162","","","","","","","","","","","","","","","","","","","","","UNBS-5162","CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)NC(=O)N","WCKZRLOUKYFJDY-UHFFFAOYSA-N","16048966",NA,"PDBC02692","","Present"
-"UNC0631","","","","","","","","","","","","","","","","","","","","","UNC0631","CC(C)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5CCCCC5)OC)OCCCN6CCCCC6","XFAXSWXKPQWHDW-UHFFFAOYSA-N","53315868",NA,"PDBC02693","","Present"
-"UNC2250","","","","","","","","","","","","","","","","","","","","","UNC2250","CCCCNC1=NC=C(C(=N1)NC2CCC(CC2)O)C3=NC=C(C=C3)CN4CCOCC4","HSYSSKFCQHXOBP-UHFFFAOYSA-N","73211763",NA,"PDBC02694","","Present"
-"VER-49009","","","","","","","","","","","","","","","","","","","","","VER-49009","CCNC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2O)O)Cl)C3=CC=C(C=C3)OC","HUNAOTXNHVALTN-UHFFFAOYSA-N","4369536",NA,"PDBC02695","","Present"
-"VLX600","","","","","","","","","","","","","","","","","","","","","VLX600","CC1=C2C(=CC=C1)C3=C(N2)N=C(N=N3)NN=C(C)C4=CC=CC=N4","UQOSBPRTQFFUOA-SRZZPIQSSA-N","6410104",NA,"PDBC02696","","Present"
-"VS-4718","","","","","","","","","","","","","","","","","","","","VS-4718","VS-4718","CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC","IGUBBWJDMLCRIK-UHFFFAOYSA-N","25073775",NA,"PDBC02697","783102","Present"
-"VTP-27999","","","","","","","","","","","","","","","","","","","","","VTP-27999","CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(C3=CC(=CC=C3)Cl)OCCNC(=O)OC","NXWASIVXQMMPLM-ZXMXYHOLSA-N","16126898",NA,"PDBC02698","","Present"
-"1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin","","","","","","","","","","","","","","","","","","","","","VU0238429","COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O","CKLGZXFOLMHCMC-UHFFFAOYSA-N","42633508",NA,"PDBC02699","","Present"
-"N-(4-Chloro-3-methoxyphenyl)pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","","VU0361737","COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=N2)Cl","ARYUXFNGXHNNDM-UHFFFAOYSA-N","44191096",NA,"PDBC02700","","Present"
-"N-(3-Chlorophenyl)picolinamide","","","","","","","","","","","","","","","","","","","","","VU0364770","C1=CC=NC(=C1)C(=O)NC2=CC(=CC=C2)Cl","SUYUTNCKIOLMAJ-UHFFFAOYSA-N","836002",NA,"PDBC02701","","Present"
-"Belnacasan","","","","","","","","","","","","","","","","","","","","","VX-765","CCOC1C(CC(=O)O1)NC(=O)C2CCCN2C(=O)C(C(C)(C)C)NC(=O)C3=CC(=C(C=C3)N)Cl","SJDDOCKBXFJEJB-MOKWFATOSA-N","11398092",NA,"PDBC02702","","Present"
-"WAY-170523","","","","","","","","","","","","","","","","","","","","","WAY-170523","CC1=CC(=C(C(=C1)C(=O)NO)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCCNC(=O)C4=CC5=CC=CC=C5O4)C","FARMEEAGJWMFSZ-UHFFFAOYSA-N","9830392",NA,"PDBC02703","","Present"
-"WAY-600","","","","","","","","","","","","","","","","","","","","","WAY-600","C1CN(CCC1N2C3=C(C=N2)C(=NC(=N3)C4=CC5=C(C=C4)NC=C5)N6CCOCC6)CC7=CN=CC=C7","FPEIJQLXFHKLJV-UHFFFAOYSA-N","25229526",NA,"PDBC02704","","Present"
-"WHI-P154","","","","","","","","","","","","","","","","","","","","","WHI-P154","COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)O)Br)OC","CBIAKDAYHRWZCU-UHFFFAOYSA-N","3795",NA,"PDBC02705","","Present"
-"WP1066","","","","","","","","","","","","","","","","","","","","","WP1066","CC(C1=CC=CC=C1)NC(=O)C(=CC2=NC(=CC=C2)Br)C#N","VFUAJMPDXIRPKO-LQELWAHVSA-N","11210478",NA,"PDBC02706","","Present"
-"WYE-354","","","","","","","","","","","","","","","","","","","","","WYE-354","COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)C(=O)OC)C(=N2)N5CCOCC5","IMXHGCRIEAKIBU-UHFFFAOYSA-N","44219749",NA,"PDBC02707","","Present"
-"WZ-3146","","","","","","","","","","","","","","","","","","","","","WZ-3146","CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl","APHGZZPEOCCYNO-UHFFFAOYSA-N","44607360",NA,"PDBC02708","","Present"
-"Emapunil","","","","","","","","","","","","","","","","","","","","","XBD173","CCN(CC1=CC=CC=C1)C(=O)CN2C3=NC(=NC=C3N(C2=O)C)C4=CC=CC=C4","NBMBIEOUVBHEBM-UHFFFAOYSA-N","6433109",NA,"PDBC02709","","Present"
-"Tesevatinib","","","","","","","","","","","","","","","","","","","","EXEL-7647///NSC784252///Tesevatinib","XL-647","CN1CC2CC(CC2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Cl)Cl)F)OC","HVXKQKFEHMGHSL-GOOCMWNKSA-N","10458325",NA,"PDBC02710","776762///784252///800946","Present"
-"XL388","","","","","","","","","","","","","","","","","","","","","XL388","CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N","LNFBAYSBVQBKFR-UHFFFAOYSA-N","59604787",NA,"PDBC02711","","Present"
-"XL888","","","","","","","","","","","","","","","","","","","","XL-888","XL888","CCC(C)NC1=C(C=C(C(=C1)C(=O)NC2CC3CCC(C2)N3C4=NC=C(C=C4)C(=O)C5CC5)C)C(=O)N","LHGWWAFKVCIILM-LAQKFSSHSA-N","57748689",NA,"PDBC02712","772351","Present"
-"Y-320","","","","","","","","","","","","","","","","","","","","","Y-320","CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N","BWZNJVZTAWBIFG-UHFFFAOYSA-N","22227931",NA,"PDBC02713","","Present"
-"YM-976","","","","","","","","","","","","","","","","","","","","","YM-976","CCC1=NC2=C(C=C1)C(=NC(=O)N2CC)C3=CC(=CC=C3)Cl","MNHXYNNKDDXKNP-UHFFFAOYSA-N","6604918",NA,"PDBC02714","","Present"
-"DBZ","","","","","","","","","","","","","","","","","DBZ","","","","YO-01027","","","11454028",NA,"PDBC02715","","Present"
-"6-Benzyloxy-4-methoxymethyl-beta-carboline-3-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","","ZK-93423","CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4","ALBKMJDFBZVHAK-UHFFFAOYSA-N","121926",NA,"PDBC02716","","Present"
-"ZK-93426","","","","","","","","","","","","","","","","","","","","","ZK-93426","CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C","VMDUABMKBUKKPG-UHFFFAOYSA-N","115210",NA,"PDBC02717","","Present"
-"ZK811752","","","","","","","","","","","","","","","","","","","","","ZK811752","","","",NA,"PDBC02718","","Present"
-"ZLN005","","","","","","","","","","","","","","","","","","","","","ZLN005","CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2","LQUNNCQSFFKSSK-UHFFFAOYSA-N","899323",NA,"PDBC02719","","Present"
-"ZM-306416","","","","","","","","","","","","","","","","","","","","","ZM-306416","COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OC","YHUIUSRCUKUUQA-UHFFFAOYSA-N","5329006",NA,"PDBC02720","","Present"
-"Abemaciclib","","","","","","","","","","","","","","","","","","","","LY-2835219","abemaciclib","CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F","UZWDCWONPYILKI-UHFFFAOYSA-N","46220502",NA,"PDBC02721","768073","Present"
-"acesulfame-potassium","","","","","","","","","","","","","","","","","","","","","acesulfame-potassium","CC1=CC(=NS(=O)(=O)O1)[O-].[K+]","WBZFUFAFFUEMEI-UHFFFAOYSA-M","23683747",NA,"PDBC02722","","Present"
-"Acetophenazine","","","","","","","","","","","","","","","","","","","","","acetophenazine","CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO","WNTYBHLDCKXEOT-UHFFFAOYSA-N","17676",NA,"PDBC02723","","Present"
-"Acetylcysteine","","","","","","","","","","","","","","","","","","","","","acetylcysteine","CC(=O)NC(CS)C(=O)O","PWKSKIMOESPYIA-BYPYZUCNSA-N","12035",NA,"PDBC02724","","Present"
-"Acipimox","","","","","","","","","","","","","","","","","","","","","acipimox","CC1=CN=C(C=[N+]1[O-])C(=O)O","DJQOOSBJCLSSEY-UHFFFAOYSA-N","5310993",NA,"PDBC02725","","Present"
-"Acivicin","","","","","","","","","","","","","","","","","","","","ACIVICIN","acivicin","C1C(ON=C1Cl)C(C(=O)O)N","QAWIHIJWNYOLBE-OKKQSCSOSA-N","294641",NA,"PDBC02726","163501","Present"
-"Adapalene","","","","","","","","","","","","","","","","","","","","","adapalene","COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5","LZCDAPDGXCYOEH-UHFFFAOYSA-N","60164",NA,"PDBC02727","","Present"
-"alpha-D-Glucose-6-phosphate","","","","","","","","","","","","","","","","","","","","","adaprev","C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O","NBSCHQHZLSJFNQ-DVKNGEFBSA-N","439284",NA,"PDBC02728","","Present"
-"Adarotene","","","","","","","","","","","","","","","","","","","","","adarotene","C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)C=CC(=O)O)O","QAWBIEIZDDIEMW-FPYGCLRLSA-N","9864378",NA,"PDBC02729","","Present"
-"Adefovir dipivoxil","","","","","","","","","","","","","","","","","","","","","adefovir-dipivoxil","CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C","WOZSCQDILHKSGG-UHFFFAOYSA-N","60871",NA,"PDBC02730","","Present"
-"Fabomotizole","","","","","","","","","","","","","","","","","","","","","afobazole","CCOC1=CC2=C(C=C1)N=C(N2)SCCN3CCOCC3","WWNUCVSRRUDYPP-UHFFFAOYSA-N","9862937",NA,"PDBC02731","","Present"
-"Ajmaline","","","","","","","","","","","","","","","","","","","","","ajmaline","CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C","CJDRUOGAGYHKKD-RQBLFBSQSA-N","6100671",NA,"PDBC02732","","Present"
-"Alfacalcidol","","","","","","","","","","","","","","","","","","","Alfacalcidol","","alfacalcidol","CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","OFHCOWSQAMBJIW-AVJTYSNKSA-N","5282181",NA,"PDBC02733","","Present"
-"Almorexant","","","","","","","","","","","","","","","","","","","","","almorexant","CNC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC","DKMACHNQISHMDN-RPLLCQBOSA-N","23727689",NA,"PDBC02734","","Present"
-"Alogliptin","","","","","","","","","","","","","","","","","","","","","alogliptin","CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N","ZSBOMTDTBDDKMP-OAHLLOKOSA-N","11450633",NA,"PDBC02735","","Present"
-"Ambazone","","","","","","","","","","","","","","","","","","","","","ambazone","C1=CC(=CC=C1NN=C(N)N)N=NC(=S)N","ANZIOUQAFBXNHU-UHFFFAOYSA-N","1549158",NA,"PDBC02736","","Present"
-"Amfenac","","","","","","","","","","","","","","","","","","","","","amfenac","C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)O","SOYCMDCMZDHQFP-UHFFFAOYSA-N","2136",NA,"PDBC02737","","Present"
-"Aminopurvalanol A","","","","","","","","","","","","","","","","","","","","","aminopurvalanol-a","CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC(=C3)N)Cl","RAMROQQYRRQPDL-HNNXBMFYSA-N","6604931",NA,"PDBC02738","","Present"
-"Amisulpride","","","","","","","","","","","","","","","","","","","","","amisulpride","CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC","NTJOBXMMWNYJFB-UHFFFAOYSA-N","2159",NA,"PDBC02739","","Present"
-"Ammonium-lactate","","","","","","","","","","","","","","","","","","","","","ammonium-lactate","CC(C(=O)O)O.N","RZOBLYBZQXQGFY-HSHFZTNMSA-N","155903690",NA,"PDBC02740","","Present"
-"Amonafide","","","","","","","","","","","","","","","","","","","","AMONAFIDE///NSC758251","amonafide","CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N","UPALIKSFLSVKIS-UHFFFAOYSA-N","50515",NA,"PDBC02741","308847///758251","Present"
-"Amsacrine","","","","","","","","","","","","","","","","","","","","NSC154948///NSC156303///NSC141549///NSC249992","amsacrine","COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42","XCPGHVQEEXUHNC-UHFFFAOYSA-N","2179",NA,"PDBC02742","154948///156303///141549///249992","Present"
-"Anagrelide","","","","","","","","","","","","","","","","","","","","","anagrelide","C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3","OTBXOEAOVRKTNQ-UHFFFAOYSA-N","135409400",NA,"PDBC02743","","Present"
-"Anguidin","","","","","","","","","","","","","","","","","","","","anguidin///NSC177378","anguidine","CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C","AUGQEEXBDZWUJY-UHFFFAOYSA-N","422111",NA,"PDBC02744","141537///177378","Present"
-"Apatinib","","","","","","","","","","","","","","","","","","","","Apatinib","apatinib","C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4","WPEWQEMJFLWMLV-UHFFFAOYSA-N","11315474",NA,"PDBC02745","772886","Present"
-"Aphidicolin","","","","","","","","","","","","","","","","","","","","Aphidicolin","aphidicolin","CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O","NOFOAYPPHIUXJR-UHFFFAOYSA-N","2210",NA,"PDBC02746","234714","Present"
-"Arctigenin","","","","","","","","","","","","","","","","","","","","","arctigenin","COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC","NQWVSMVXKMHKTF-JKSUJKDBSA-N","64981",NA,"PDBC02747","","Present"
-"Arcyriaflavin a","","","","","","","","","","","","","","","","","","","","","arcyriaflavin-a","C1=CC=C2C(=C1)C3=C4C(=C5C6=CC=CC=C6NC5=C3N2)C(=O)NC4=O","KAJXOWFGKYKMMZ-UHFFFAOYSA-N","5327723",NA,"PDBC02748","","Present"
-"Aripiprazole","","","","","","","","","","","","","","","","","","","","","aripiprazole","C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl","CEUORZQYGODEFX-UHFFFAOYSA-N","60795",NA,"PDBC02749","","Present"
-"Artesunate","","","","","","","","","","","","","","","","","","","","","artesunate","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C","FIHJKUPKCHIPAT-AHIGJZGOSA-N","6917864",NA,"PDBC02750","","Present"
-"N,N-Dimethylarginine","","","","","","","","","","","","","","","","","","","","","asymmetrical-dimethylarginine","CN(C)C(=NCCCC(C(=O)O)N)N","YDGMGEXADBMOMJ-LURJTMIESA-N","123831",NA,"PDBC02751","","Present"
-"Atenolol-(+/-)","","","","","","","","","","","","","","","","","","","","","atenolol-(+/-)","","","",NA,"PDBC02752","","Present"
-"Atipamezole","","","","","","","","","","","","","","","","","","","","","atipamezole","CCC1(CC2=CC=CC=C2C1)C3=CN=CN3","HSWPZIDYAHLZDD-UHFFFAOYSA-N","71310",NA,"PDBC02753","","Present"
-"Atiprimod","","","","","","","","","","","","","","","","","","","","","atiprimod","CCCC1(CCC2(CC1)CCN(C2)CCCN(CC)CC)CCC","SERHTTSLBVGRBY-UHFFFAOYSA-N","129869",NA,"PDBC02754","","Present"
-"aurora-a-inhibitor-i","","","","","","","","","","","","","","","","","","","","","aurora-a-inhibitor-i","CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5Cl)F","AKSIZPIFQAYJGF-UHFFFAOYSA-N","44139710",NA,"PDBC02755","","Present"
-"Avanafil","","","","","","","","","","","","","","","","","","","","","avanafil","COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)Cl","WEAJZXNPAWBCOA-INIZCTEOSA-N","9869929",NA,"PDBC02756","","Present"
-"Elaiophylin","","","","","","","","","","","","","","","","","","","","Elaiophylin","azalomycin-b","CCC1C(OC(CC1OC2CC(C(C(O2)C)O)O)(C(C)C(C(C)C3C(C=CC=CC(=O)OC(C(C=CC=CC(=O)O3)C)C(C)C(C(C)C4(CC(C(C(O4)C)CC)OC5CC(C(C(O5)C)O)O)O)O)C)O)O)C","OSERMIPXNLXAPD-BMJPDPRUSA-N","155816671",NA,"PDBC02757","789944","Present"
-"Azilsartan","","","","","","","","","","","","","","","","","","","","","azilsartan","CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O","KGSXMPPBFPAXLY-UHFFFAOYSA-N","135415867",NA,"PDBC02758","","Present"
-"Azithromycin","","","","","","","","","","","","","","","","","","","Azithromycin","","azithromycin","CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O","MQTOSJVFKKJCRP-BICOPXKESA-N","447043",NA,"PDBC02759","","Present"
-"Azodicarbonamide","","","","","","","","","","","","","","","","","","","","","azodicarbonamide","C(=O)(N)N=NC(=O)N","XOZUGNYVDXMRKW-AATRIKPKSA-N","5462814",NA,"PDBC02760","","Present"
-"2-Nitroimidazole","","","","","","","","","","","","","","","","","","","","","azomycin-(2-nitroimidazole)","C1=CN=C(N1)[N+](=O)[O-]","YZEUHQHUFTYLPH-UHFFFAOYSA-N","10701",NA,"PDBC02761","","Present"
-"Bafetinib","","","","","","","","","","","","","","","","","","","","NSC788186///NSC799354","bafetinib","CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCC(C3)N(C)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CN=C5","ZGBAJMQHJDFTQJ-DEOSSOPVSA-N","11387605",NA,"PDBC02762","788186///799354","Present"
-"Baicalin","","","","","","","","","","","","","","","","","","","","","baicalin","C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O","IKIIZLYTISPENI-ZFORQUDYSA-N","64982",NA,"PDBC02763","","Present"
-"Balapiravir","","","","","","","","","","","","","","","","","","","","","balapiravir","CC(C)C(=O)OCC1(C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)C(C)C)OC(=O)C(C)C)N=[N+]=[N-]","VKXWOLCNTHXCLF-DXEZIKHYSA-N","11691726",NA,"PDBC02764","","Present"
-"Azd-1152hqpa","","","","","","","","","","","","","","","","","","","","Barasertib_HQPA","barasertib-HQPA","CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO","QYZOGCMHVIGURT-UHFFFAOYSA-N","16007391",NA,"PDBC02765","799356","Present"
-"Baricitinib","","","","","","","","","","","","","","","","","","","","","baricitinib","CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3","XUZMWHLSFXCVMG-UHFFFAOYSA-N","44205240",NA,"PDBC02766","","Present"
-"Beclomethasone dipropionate","","","","","","","","","","","","","","","","","","","","","beclomethasone-dipropionate","CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CC","KUVIULQEHSCUHY-XYWKZLDCSA-N","21700",NA,"PDBC02767","","Present"
-"Bekanamycin","","","","","","","","","","","","","","","","","","","","","bekanamycin","C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)N)N","SKKLOUVUUNMCJE-FQSMHNGLSA-N","439318",NA,"PDBC02768","","Present"
-"Bentazepam","","","","","","","","","","","","","","","","","","","","","bentazepam","C1CCC2=C(C1)C3=C(S2)NC(=O)CN=C3C4=CC=CC=C4","AIZFEOPQVZBNGH-UHFFFAOYSA-N","135412795",NA,"PDBC02769","","Present"
-"Benzethonium","","","","","","","","","","","","","","","","","","","","","benzethonium","CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2","SIYLLGKDQZGJHK-UHFFFAOYSA-N","2335",NA,"PDBC02770","","Present"
-"Cetalkonium","","","","","","","","","","","","","","","","","","","","","benzyldimethylhexadecylammonium","CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1","QDYLMAYUEZBUFO-UHFFFAOYSA-N","31203",NA,"PDBC02771","","Present"
-"beta-Lapachone","","","","","","","","","","","","","","","","","","","","NSC629749///NSC813862","beta-lapachone","CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C","QZPQTZZNNJUOLS-UHFFFAOYSA-N","3885",NA,"PDBC02772","629749///813862","Present"
-"2-Naphthol","","","","","","","","","","","","","","","","","","","","","beta-naphthol","C1=CC=C2C=C(C=CC2=C1)O","JWAZRIHNYRIHIV-UHFFFAOYSA-N","8663",NA,"PDBC02773","","Present"
-"Betamethasone dipropionate","","","","","","","","","","","","","","","","","","","","","betamethasone-dipropionate","CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)OC(=O)CC","CIWBQSYVNNPZIQ-XYWKZLDCSA-N","21800",NA,"PDBC02774","","Present"
-"Bifemelane","","","","","","","","","","","","","","","","","","","","","bifemelane","CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2","QSQQPMHPCBLLGX-UHFFFAOYSA-N","2377",NA,"PDBC02775","","Present"
-"Bindarit","","","","","","","","","","","","","","","","","","","","","bindarit","CC(C)(C(=O)O)OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3","MTHORRSSURHQPZ-UHFFFAOYSA-N","71354",NA,"PDBC02776","","Present"
-"Bis(maltolato)oxovanadium(IV)","","","","","","","","","","","","","","","","","","","","","bis(maltolato)oxovanadium(IV)","CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].O=[V+2]","XUOLEICXAPEOSI-UHFFFAOYSA-L","3035454",NA,"PDBC02777","","Present"
-"Bisindolylmaleimide IX","","","","","","","","","","","","","","","","","","","","NSC767237","bisindolylmaleimide-ix","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N","DSXXEELGXBCYNQ-UHFFFAOYSA-N","5083",NA,"PDBC02778","767237","Present"
-"Bitopertin","","","","","","","","","","","","","","","","","","","","","bitopertin","CC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F","YUUGYIUSCYNSQR-LBPRGKRZSA-N","24946690",NA,"PDBC02779","","Present"
-"Bosentan","","","","","","","","","","","","","","","","","","","","","bosentan","CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC","GJPICJJJRGTNOD-UHFFFAOYSA-N","104865",NA,"PDBC02780","","Present"
-"Brequinar","","","","","","","","","","","","","","","","","","","","Brequinar","brequinar","CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O.[Na+]","PZOHOALJQOFNTB-UHFFFAOYSA-N","23223059",NA,"PDBC02781","368390","Present"
-"Brigatinib","","","","","","","","","","","","","","","","","","","","NSC787457","brigatinib","CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC","AILRADAXUVEEIR-UHFFFAOYSA-N","68165256",NA,"PDBC02782","787457","Present"
-"Brilliant green","","","","","","","","","","","","","","","","","","","","Brilliant Green","brilliant-green","CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]","NNBFNNNWANBMTI-UHFFFAOYSA-M","12449",NA,"PDBC02783","5011","Present"
-"Brivaracetam","","","","","","","","","","","","","","","","","","","","","brivaracetam","CCCC1CC(=O)N(C1)C(CC)C(=O)N","MSYKRHVOOPPJKU-BDAKNGLRSA-N","9837243",NA,"PDBC02784","","Present"
-"Bromosporine","","","","","","","","","","","","","","","","","","","","NSC768126","bromosporine","CCOC(=O)NC1=CC(=NN2C1=NN=C2C)C3=CC(=C(C=C3)C)NS(=O)(=O)C","UYBRROMMFMPJAN-UHFFFAOYSA-N","72943187",NA,"PDBC02785","768126","Present"
-"Broxaldine","","","","","","","","","","","","","","","","","","","","","broxaldine","CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC=CC=C3)Br)Br","IJTPLVAAROHGGB-UHFFFAOYSA-N","77262",NA,"PDBC02786","","Present"
-"Broxyquinoline","","","","","","","","","","","","","","","","","","","","BROXYQUINOLINE","broxyquinoline","C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1","ZDASUJMDVPTNTF-UHFFFAOYSA-N","2453",NA,"PDBC02787","757389","Present"
-"Bruceantin","","","","","","","","","","","","","","","","","","","","BRUCEANTIN","bruceantin","CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)O","IRQXZTBHNKVIRL-GOTQHHPNSA-N","5281304",NA,"PDBC02788","165563","Present"
-"Nylidrin","","","","","","","","","","","","","","","","","","","","","buphenine","CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O","PTGXAUBQBSGPKF-UHFFFAOYSA-N","4567",NA,"PDBC02789","","Present"
-"l-Buthionine sulfoximine","","","","","","","","","","","","","","","","","","","","Buthionine sulphoximine","buthionine-sulfoximine","CCCCS(=N)(=O)CCC(C(=O)O)N","KJQFBVYMGADDTQ-CVSPRKDYSA-N","119565",NA,"PDBC02790","326231","Present"
-"Butylscopolamine","","","","","","","","","","","","","","","","","","","","","butylscopolamine-bromide","CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C","YBCNXCRZPWQOBR-MWGADRMYSA-N","160883",NA,"PDBC02791","","Present"
-"Caffeic acid phenethyl ester","","","","","","","","","","","","","","","","","","","","","caffeic-acid-phenethyl-ester","C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)O","SWUARLUWKZWEBQ-VQHVLOKHSA-N","5281787",NA,"PDBC02792","","Present"
-"Calcitriol","","","","","","","","","","","","","","","","","","","","","calcitriol","CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","GMRQFYUYWCNGIN-NKMMMXOESA-N","5280453",NA,"PDBC02793","","Present"
-"Camylofine-chlorhydrate","","","","","","","","","","","","","","","","","","","","","camylofine-chlorhydrate","CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C","RYOOHIUJEJZCFT-GOSISDBHSA-N","51590030",NA,"PDBC02794","","Present"
-"Candesartan","","","","","","","","","","","","","","","","","","","","","candesartan","CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O","HTQMVQVXFRQIKW-UHFFFAOYSA-N","2541",NA,"PDBC02795","","Present"
-"Canrenone","","","","","","","","","","","","","","","","","","","","","canrenone","CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C","UJVLDDZCTMKXJK-WNHSNXHDSA-N","13789",NA,"PDBC02796","","Present"
-"Captamine","","","","","","","","","","","","","","","","","","","","","captamine","CN(C)CCS","DENMGZODXQRYAR-UHFFFAOYSA-N","25799",NA,"PDBC02797","","Present"
-"Carboplatin","","","","","","","","","","","","","","","","","","","","Carboplatin","carboplatin","C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]","VSRXQHXAPYXROS-UHFFFAOYSA-N","426756",NA,"PDBC02798","241240","Present"
-"Carboxyamidotriazole","","","","","","","","","","","","","","","","","","","","Carboxyamidotriazole","carboxyamidotriazole","C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl","WNRZHQBJSXRYJK-UHFFFAOYSA-N","108144",NA,"PDBC02799","609974","Present"
-"6,6'-Dithiodinicotinic acid","","","","","","","","","","","","","","","","","","","","cpds","carboxypyridine-disulfide","C1=CC(=NC=C1C(=O)O)SSC2=NC=C(C=C2)C(=O)O","GSASOFRDSIKDSN-UHFFFAOYSA-N","85040",NA,"PDBC02800","147758","Present"
-"Cariporide","","","","","","","","","","","","","","","","","","","","","cariporide","CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C","IWXNYAIICFKCTM-UHFFFAOYSA-N","151172",NA,"PDBC02801","","Present"
-"Carmofur","","","","","","","","","","","","","","","","","","","","Carmofur","carmofur","CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F","AOCCBINRVIKJHY-UHFFFAOYSA-N","2577",NA,"PDBC02802","758963","Present"
-"Carvedilol","","","","","","","","","","","","","","","","","","","","","carvedilol","COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O","OGHNVEJMJSYVRP-UHFFFAOYSA-N","2585",NA,"PDBC02803","","Present"
-"Cebranopadol","","","","","","","","","","","","","","","","","","","","","cebranopadol","CN(C)C1(CCC2(CC1)C3=C(CCO2)C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5","CSMVOZKEWSOFER-UHFFFAOYSA-N","11848225",NA,"PDBC02804","","Present"
-"Cefdinir","","","","","","","","","","","","","","","","","","","","","cefdinir","C=CC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O","RTXOFQZKPXMALH-GHXIOONMSA-N","6915944",NA,"PDBC02805","","Present"
-"Cefditorin pivoxil","","","","","","","","","","","","","","","","","","","","","cefditoren-pivoxil","CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C","AFZFFLVORLEPPO-ITQWOMERSA-N","6917926",NA,"PDBC02806","","Present"
-"Cefpiramide","","","","","","","","","","","","","","","","","","","","","cefpiramide","CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O","PWAUCHMQEXVFJR-PMAPCBKXSA-N","636405",NA,"PDBC02807","","Present"
-"Cephalomannine","","","","","","","","","","","","","","","","","","","","","cephalomannine","CC=C(C)C(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O","DBXFAPJCZABTDR-WBYYIXQISA-N","6436208",NA,"PDBC02808","","Present"
-"Cetrimonium","","","","","","","","","","","","","","","","","","","","","cetrimonium","CCCCCCCCCCCCCCCC[N+](C)(C)C","RLGQACBPNDBWTB-UHFFFAOYSA-N","2681",NA,"PDBC02809","","Present"
-"Cetylpyridinium","","","","","","","","","","","","","","","","","","","","","cetylpyridinium","CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1","NEUSVAOJNUQRTM-UHFFFAOYSA-N","2683",NA,"PDBC02810","","Present"
-"Chidamide","","","","","","","","","","","","","","","","","","","","","chidamide","C1=CC(=CN=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)N","WXHHICFWKXDFOW-BJMVGYQFSA-N","9800555",NA,"PDBC02811","","Present"
-"Chloramphenicol palmitate","","","","","","","","","","","","","","","","","","","","","chloramphenicol-palmitate","CCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl","PXKHGMGELZGJQE-ILBGXUMGSA-N","443382",NA,"PDBC02812","","Present"
-"Chlorindanol","","","","","","","","","","","","","","","","","","","","","chlorindanol","C1CC2=C(C=CC(=C2C1)Cl)O","ATAJVFBUUIBIEO-UHFFFAOYSA-N","8961",NA,"PDBC02813","","Present"
-"Chlormidazole","","","","","","","","","","","","","","","","","","","","","chlormidazole","CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl","WNAQOLSMVPFGTE-UHFFFAOYSA-N","71821",NA,"PDBC02814","","Present"
-"Chloroxine","","","","","","","","","","","","","","","","","","","","chloroxine (usan)","chloroxine","C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1","WDFKMLRRRCGAKS-UHFFFAOYSA-N","2722",NA,"PDBC02815","758398","Present"
-"Chlorpyrifos","","","","","","","","","","","","","","","","","","","","","chlorpyrifos","CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl","SBPBAQFWLVIOKP-UHFFFAOYSA-N","2730",NA,"PDBC02816","","Present"
-"Chlorquinaldol","","","","","","","","","","","","","","","","","","","","","chlorquinaldol","CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl","GPTXWRGISTZRIO-UHFFFAOYSA-N","6301",NA,"PDBC02817","","Present"
-"Chromocarb","","","","","","","","","","","","","","","","","","","","","chromocarb","C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O","RVMGXWBCQGAWBR-UHFFFAOYSA-N","2741",NA,"PDBC02818","","Present"
-"Cibenzoline","","","","","","","","","","","","","","","","","","","","","cibenzoline","C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4","IPOBOOXFSRWSHL-UHFFFAOYSA-N","2747",NA,"PDBC02819","","Present"
-"Ciclesonide","","","","","","","","","","","","","","","","","","","","","ciclesonide","CC(C)C(=O)OCC(=O)C12C(CC3C1(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)OC(O2)C6CCCCC6","LUKZNWIVRBCLON-GXOBDPJESA-N","6918155",NA,"PDBC02820","","Present"
-"Cidofovir","","","","","","","","","","","","","","","","","","","","","cidofovir","C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O","VWFCHDSQECPREK-LURJTMIESA-N","60613",NA,"PDBC02821","","Present"
-"Cilostamide","","","","","","","","","","","","","","","","","","","","","cilostamide","CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3","UIAYVIIHMORPSJ-UHFFFAOYSA-N","2753",NA,"PDBC02822","","Present"
-"Cinacalcet","","","","","","","","","","","","","","","","","","","","","cinacalcet","CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F","VDHAWDNDOKGFTD-MRXNPFEDSA-N","156419",NA,"PDBC02823","","Present"
-"Cinalukast","","","","","","","","","","","","","","","","","","","","","cinalukast","CCC(CC)(CC(=O)NC1=CC=CC(=C1)C=CC2=NC(=CS2)C3CCC3)C(=O)O","BZMKNPGKXJAIDV-VAWYXSNFSA-N","6436135",NA,"PDBC02824","","Present"
-"Cinnarazine","","","","","","","","","","","","","","","","","","","","","cinnarazine","C1CN(CCN1C=CCC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4","SSKFWBSXNIWCBH-VCHYOVAHSA-N","5353532",NA,"PDBC02825","","Present"
-"Cinromide","","","","","","","","","","","","","","","","","","","","","cinromide","CCNC(=O)C=CC1=CC(=CC=C1)Br","LDCXGZCEMNMWIL-VOTSOKGWSA-N","688145",NA,"PDBC02826","","Present"
-"Clindamycin phosphate","","","","","","","","","","","","","","","","","","","","","clindamycin-phosphate","CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)O)C(C)Cl","UFUVLHLTWXBHGZ-MGZQPHGTSA-N","443385",NA,"PDBC02827","","Present"
-"Clobetasol propionate","","","","","","","","","","","","","","","","","","","","","clobetasol-propionate","CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl","CBGUOGMQLZIXBE-XGQKBEPLSA-N","32798",NA,"PDBC02828","","Present"
-"Clobutinol","","","","","","","","","","","","","","","","","","","","","clobutinol","CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O","KVHHQGIIZCJATJ-UHFFFAOYSA-N","26937",NA,"PDBC02829","","Present"
-"Clocortolone pivalate","","","","","","","","","","","","","","","","","","","","","clocortolone-pivalate","CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)COC(=O)C(C)(C)C)C)O)Cl)C)F","SXYZQZLHAIHKKY-GSTUPEFVSA-N","5282493",NA,"PDBC02830","","Present"
-"Clofoctol","","","","","","","","","","","","","","","","","","","","CLOFOCTOL","clofoctol","CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl","HQVZOORKDNCGCK-UHFFFAOYSA-N","2799",NA,"PDBC02831","758389","Present"
-"Clomifene","","","","","","","","","","","","","","","","","","","","","clomifene","CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3","GKIRPKYJQBWNGO-UHFFFAOYSA-N","2800",NA,"PDBC02832","","Present"
-"Clonazepam","","","","","","","","","","","","","","","","","","","","","clonazepam","C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl","DGBIGWXXNGSACT-UHFFFAOYSA-N","2802",NA,"PDBC02833","","Present"
-"Cobicistat","","","","","","","","","","","","","","","","","","","","","cobicistat","CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5","ZCIGNRJZKPOIKD-CQXVEOKZSA-N","25151504",NA,"PDBC02834","","Present"
-"Colforsin daropate","","","","","","","","","","","","","","","","","","","","","colforsin-daproate","CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)OC(=O)CCN(C)C","RSOZZQTUMVBTMR-XGUNBQNXSA-N","444029",NA,"PDBC02835","","Present"
-"1,2-Dipalmitoyl-sn-glycero-3-phosphocholine","","","","","","","","","","","","","","","","","","","","","colfosceril-palmitate","CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC","KILNVBDSWZSGLL-KXQOOQHDSA-O","160339",NA,"PDBC02836","","Present"
-"Colistin B sulfate","","","","","","","","","","","","","","","","","","","","","colistin-b-sulfate","CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O.CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O","ARWLUFSLVSQRNF-UHFFFAOYSA-N","139031463",NA,"PDBC02837","","Present"
-"Combretastatin A4","","","","","","","","","","","","","","","","","","","","Combretastatin A4","combretastatin-A-4","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)O","HVXBOLULGPECHP-WAYWQWQTSA-N","5351344",NA,"PDBC02838","613729","Present"
-"Costunolide","","","","","","","","","","","","","","","","","","","","","costunolide","CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C","HRYLQFBHBWLLLL-AHNJNIBGSA-N","5281437",NA,"PDBC02839","","Present"
-"Creatine","","","","","","","","","","","","","","","","","","","","","creatine","CN(CC(=O)O)C(=N)N","CVSVTCORWBXHQV-UHFFFAOYSA-N","586",NA,"PDBC02840","","Present"
-"Crenolanib","","","","","","","","","","","","","","","","","Crenolanib","Crenolanib (CP-868596)","","Crenolanib","crenolanib","","","10366136",NA,"PDBC02841","800079///763526","Present"
-"(S)-Crizotinib","","","","","","","","","","","","","","","","","","","","","crizotinib-(S)","CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N","KTEIFNKAUNYNJU-LBPRGKRZSA-N","56671814",NA,"PDBC02842","","Present"
-"Levcromakalim","","","","","","","","","","","","","","","","","","","","","cromakalim","CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C","TVZCRIROJQEVOT-CABCVRRESA-N","93504",NA,"PDBC02843","","Present"
-"Gentian violet cation","","","","","","","","","","","","","","","","","","","","","crystal-violet","CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C","LGLFFNDHMLKUMI-UHFFFAOYSA-N","3468",NA,"PDBC02844","","Present"
-"Ancitabine","","","","","","","","","","","","","","","","","","","","","cyclocytidine","C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N","BBDAGFIXKZCXAH-CCXZUQQUSA-N","25051",NA,"PDBC02845","","Present"
-"Cyqualon","","","","","","","","","","","","","","","","","","","","Beveno///Cyclovalone","cyclovalone","COC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)OC)C2=O)O","DHKKONBXGAAFTB-OTYYAQKOSA-N","1550234",NA,"PDBC02846","26727///652893","Present"
-"Cyclovirobuxin-d","","","","","","","","","","","","","","","","","","","","","cyclovirobuxin-d","","","",NA,"PDBC02847","","Present"
-"Cyproterone acetate","","","","","","","","","","","","","","","","","","","","","cyproterone-acetate","CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C","UWFYSQMTEOIJJG-FDTZYFLXSA-N","9880",NA,"PDBC02848","","Present"
-"Cyromazine","","","","","","","","","","","","","","","","","","","","","cyromazine","C1CC1NC2=NC(=NC(=N2)N)N","LVQDKIWDGQRHTE-UHFFFAOYSA-N","47866",NA,"PDBC02849","","Present"
-"Cytochlor","","","","","","","","","","","","","","","","","","","","","cytochlor","C1C(C(OC1N2C=C(C(=NC2=O)N)Cl)CO)O","NGGRGTWYSXYVDK-RRKCRQDMSA-N","100802",NA,"PDBC02850","","Present"
-"Daclatasvir","","","","","","","","","","","","","","","","","","","","","daclatasvir","CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC","FKRSSPOQAMALKA-CUPIEXAXSA-N","25154714",NA,"PDBC02851","","Present"
-"Danusertib","","","","","","","","","","","","","","","","","","","","NSC784415///NSC800086","danusertib","CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)C(C5=CC=CC=C5)OC","XKFTZKGMDDZMJI-HSZRJFAPSA-N","11442891",NA,"PDBC02852","784415///800086","Present"
-"Dapivirine","","","","","","","","","","","","","","","","","","","","","dapivirine","CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C","ILAYIAGXTHKHNT-UHFFFAOYSA-N","214347",NA,"PDBC02853","","Present"
-"Darapladib","","","","","","","","","","","","","","","","","","","","","darapladib","CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCC5=CC=C(C=C5)F","WDPFJWLDPVQCAJ-UHFFFAOYSA-N","9939609",NA,"PDBC02854","","Present"
-"Darifenacin","","","","","","","","","","","","","","","","","","","","","darifenacin","C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5","HXGBXQDTNZMWGS-RUZDIDTESA-N","444031",NA,"PDBC02855","","Present"
-"Defactinib","","","","","","","","","","","","","","","","","","","","NSC778364///NSC782549///NSC800089","defactinib","CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F","FWLMVFUGMHIOAA-UHFFFAOYSA-N","25117126",NA,"PDBC02856","778364///782549///800089","Present"
-"Deferasirox","","","","","","","","","","","","","","","","","","","","","deferasirox","C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O","BOFQWVMAQOTZIW-UHFFFAOYSA-N","214348",NA,"PDBC02857","","Present"
-"Deflazacort","","","","","","","","","","","","","","","","","","","","","deflazacort","CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C","FBHSPRKOSMHSIF-GRMWVWQJSA-N","189821",NA,"PDBC02858","","Present"
-"Delanzomib","","","","","","","","","","","","","","","","","","","Delanzomib","delanzomib","delanzomib","B(C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)O","SJFBTAPEPRWNKH-CCKFTAQKSA-N","24800541",NA,"PDBC02859","764334","Present"
-"Demecarium","","","","","","","","","","","","","","","","","","","","","demecarium","CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C","RWZVPVOZTJJMNU-UHFFFAOYSA-N","5966",NA,"PDBC02860","","Present"
-"Deoxycorticosterone acetate","","","","","","","","","","","","","","","","","","","","","deoxycorticosterone-acetate","CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C","VPGRYOFKCNULNK-ACXQXYJUSA-N","5952",NA,"PDBC02861","","Present"
-"Dequalinium","","","","","","","","","","","","","","","","","","","","","dequalinium","CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C","PCSWXVJAIHCTMO-UHFFFAOYSA-P","2993",NA,"PDBC02862","","Present"
-"Desonide","","","","","","","","","","","","","","","","","","","","","desonide","CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)C","WBGKWQHBNHJJPZ-LECWWXJVSA-N","5311066",NA,"PDBC02863","","Present"
-"Dexamethasone acetate","","","","","","","","","","","","","","","","","","","","","dexamethasone-acetate","CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C","AKUJBENLRBOFTD-RPRRAYFGSA-N","236702",NA,"PDBC02864","","Present"
-"Dianhydrogalactitol","","","","","","","","","","","","","","","","","","","","Dianhydrogalactitol","dianhydrogalactitol","C1C(O1)C(C(C2CO2)O)O","AAFJXZWCNVJTMK-UHFFFAOYSA-N","31789",NA,"PDBC02865","132313","Present"
-"Diaveridine","","","","","","","","","","","","","","","","","","","","","diaveridine","COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC","LDBTVAXGKYIFHO-UHFFFAOYSA-N","21453",NA,"PDBC02866","","Present"
-"Dichlorisone acetate","","","","","","","","","","","","","","","","","","","","","dichlorisone-acetate","CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)Cl)C)O","YNNURTVKPVJVEI-GSLJADNHSA-N","5388959",NA,"PDBC02867","","Present"
-"Dichloroacetate","","","","","","","","","","","","","","","","","","","","","dichloroacetate","C(C(=O)[O-])(Cl)Cl","JXTHNDFMNIQAHM-UHFFFAOYSA-M","25975",NA,"PDBC02868","","Present"
-"Dichlorvos","","","","","","","","","","","","","","","","","","","","","dichlorvos","COP(=O)(OC)OC=C(Cl)Cl","OEBRKCOSUFCWJD-UHFFFAOYSA-N","3039",NA,"PDBC02869","","Present"
-"Diclazuril","","","","","","","","","","","","","","","","","","","","","diclazuril","C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl","ZSZFUDFOPOMEET-UHFFFAOYSA-N","456389",NA,"PDBC02870","","Present"
-"Dienogest","","","","","","","","","","","","","","","","","","","","","dienogest","CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(CC#N)O","AZFLJNIPTRTECV-FUMNGEBKSA-N","68861",NA,"PDBC02871","","Present"
-"Difluprednate","","","","","","","","","","","","","","","","","","","","","difluprednate","CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)C","WYQPLTPSGFELIB-JTQPXKBDSA-N","443936",NA,"PDBC02872","","Present"
-"Digitoxin","","","","","","","","","","","","","","","","","","","","","digitoxin","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O","WDJUZGPOPHTGOT-XUDUSOBPSA-N","441207",NA,"PDBC02873","","Present"
-"dihydroartemisinin","","","","","","","","","","","","","","","","","","","","","dihydroartemisinin","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C","BJDCWCLMFKKGEE-ISOSDAIHSA-N","3000518",NA,"PDBC02874","","Present"
-"Dihydromyricetin","","","","","","","","","","","","","","","","","","","","","dihydromyricetin","C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O","KJXSIXMJHKAJOD-LSDHHAIUSA-N","161557",NA,"PDBC02875","","Present"
-"Dioscin","","","","","","","","","","","","","","","","","","","","","dioscin","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1","VNONINPVFQTJOC-ZGXDEBHDSA-N","119245",NA,"PDBC02876","","Present"
-"Diphemanil","","","","","","","","","","","","","","","","","","","","","diphemanil","C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C","LCTZPQRFOZKZNK-UHFFFAOYSA-N","6127",NA,"PDBC02877","","Present"
-"Diphenyleneiodonium","","","","","","","","","","","","","","","","","","","","","diphenyleneiodonium","C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2","QFXKXRXFBRLLPQ-UHFFFAOYSA-N","3101",NA,"PDBC02878","","Present"
-"Dofetilide","","","","","","","","","","","","","","","","","","","","Dofetilide;A-9055","dofetilide","CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C","IXTMWRCNAAVVAI-UHFFFAOYSA-N","71329",NA,"PDBC02879","786034","Present"
-"Dolastatin 10","","","","","","","","","","","","","","","","","","","","","dolastatin-10","CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C","OFDNQWIFNXBECV-VFSYNPLYSA-N","9810929",NA,"PDBC02880","","Present"
-"Dolutegravir","","","","","","","","","","","","","","","","","","","","","dolutegravir","CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O","RHWKPHLQXYSBKR-BMIGLBTASA-N","54726191",NA,"PDBC02881","","Present"
-"Domiphen","","","","","","","","","","","","","","","","","","","","","domiphen","CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1","YXUPZGKORWTXID-UHFFFAOYSA-N","3149",NA,"PDBC02882","","Present"
-"Doxercalciferol","","","","","","","","","","","","","","","","","","","","","doxercalciferol","CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","HKXBNHCUPKIYDM-CGMHZMFXSA-N","5281107",NA,"PDBC02883","","Present"
-"Doxifluridine","","","","","","","","","","","","","","","","","","","","","doxifluridine","CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O","ZWAOHEXOSAUJHY-ZIYNGMLESA-N","18343",NA,"PDBC02884","","Present"
-"Dronedarone","","","","","","","","","","","","","","","","","","","","","dronedarone","CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC","ZQTNQVWKHCQYLQ-UHFFFAOYSA-N","208898",NA,"PDBC02885","","Present"
-"Drospirenone","","","","","","","","","","","","","","","","","","","","","drospirenone","CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C","METQSPRSQINEEU-HXCATZOESA-N","68873",NA,"PDBC02886","","Present"
-"Ebastine","","","","","","","","","","","","","","","","","","","","","ebastine","CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4","MJJALKDDGIKVBE-UHFFFAOYSA-N","3191",NA,"PDBC02887","","Present"
-"Ecamsule-triethanolamine","","","","","","","","","","","","","","","","","","","","","ecamsule-triethanolamine","CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)C=C4C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)CS(=O)(=O)O)C","HEAHZSUCFKFERC-MPPVQRIUSA-N","131634633",NA,"PDBC02888","","Present"
-"Echinomycin","","","","","","","","","","","","","","","","","","","","echinomycin///NSC526417","echinomycin","CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C","AUJXLBOHYWTPFV-UHFFFAOYSA-N","3197",NA,"PDBC02889","13502///526417","Present"
-"Efonidipine-Monoethanolate","","","","","","","","","","","","","","","","","","","","","efonidipine-monoethanolate","","","",NA,"PDBC02890","","Present"
-"Elacridar","","","","","","","","","","","","","","","","","","","","","elacridar","COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC","OSFCMRGOZNQUSW-UHFFFAOYSA-N","119373",NA,"PDBC02891","","Present"
-"Eltrombopag","","","","","","","","","","","","","","","","","","","","","eltrombopag","CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C","SVOQIEJWJCQGDQ-UHFFFAOYSA-N","135449332",NA,"PDBC02892","","Present"
-"Enocitabine","","","","","","","","","","","","","","","","","","","","","enocitabine","CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","SAMRUMKYXPVKPA-VFKOLLTISA-N","71734",NA,"PDBC02893","","Present"
-"Enoximone","","","","","","","","","","","","","","","","","","","","","enoximone","CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC","ZJKNESGOIKRXQY-UHFFFAOYSA-N","53708",NA,"PDBC02894","","Present"
-"Epinastine","","","","","","","","","","","","","","","","","","","","","epinastine","C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N","WHWZLSFABNNENI-UHFFFAOYSA-N","3241",NA,"PDBC02895","","Present"
-"Epinephrine","","","","","","","","","","","","","","","","","","","","","epinephrine","CNCC(C1=CC(=C(C=C1)O)O)O","UCTWMZQNUQWSLP-VIFPVBQESA-N","5816",NA,"PDBC02896","","Present"
-"Eplerenone","","","","","","","","","","","","","","","","","","","","","eplerenone","CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC","JUKPWJGBANNWMW-VWBFHTRKSA-N","443872",NA,"PDBC02897","","Present"
-"Epothilone A","","","","","","","","","","","","","","","","","","","","Epothilon A","epothilone-a","CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C","HESCAJZNRMSMJG-KKQRBIROSA-N","448799",NA,"PDBC02898","684362","Present"
-"Epothilone D","","","","","","","","","","","","","","","","","","","","Epothilone D","epothilone-d","CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)C","XOZIUKBZLSUILX-GIQCAXHBSA-N","447865",NA,"PDBC02899","703147","Present"
-"Eprinex","","","","","","","","","","","","","","","","","","","","","eprinomectin","CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)NC(=O)C)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O","WPNHOHPRXXCPRA-TVXIRPTOSA-N","6450531",NA,"PDBC02900","","Present"
-"Eprobemide","","","","","","","","","","","","","","","","","","","","","eprobemide","C1COCCN1CCCNC(=O)C2=CC=C(C=C2)Cl","YYFGRAGNYHYWEZ-UHFFFAOYSA-N","65659",NA,"PDBC02901","","Present"
-"Eprosartan","","","","","","","","","","","","","","","","","","","","","eprosartan","CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O","OROAFUQRIXKEMV-LDADJPATSA-N","5281037",NA,"PDBC02902","","Present"
-"Eptifibatide","","","","","","","","","","","","","","","","","","","","","eptifibatide","C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N","CZKPOZZJODAYPZ-LROMGURASA-N","448812",NA,"PDBC02903","","Present"
-"Equol","","","","","","","","","","","","","","","","","","","","","equol","C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O","ADFCQWZHKCXPAJ-GFCCVEGCSA-N","91469",NA,"PDBC02904","","Present"
-"Ercalcitriol","","","","","","","","","","","","","","","","","","","","","ercalcitriol","CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","ZGLHBRQAEXKACO-XJRQOBMKSA-N","9547243",NA,"PDBC02905","","Present"
-"Erdafitinib","","","","","","","","","","","","","","","","","","","","JNJ-42756493","erdafitinib","CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC","OLAHOMJCDNXHFI-UHFFFAOYSA-N","67462786",NA,"PDBC02906","781556","Present"
-"Erteberel","","","","","","","","","","","","","","","","","","","","","erteberel","C1CC2C(C1)C3=C(C=CC(=C3)O)OC2C4=CC=C(C=C4)O","XIESSJVMWNJCGZ-VKJFTORMSA-N","10286159",NA,"PDBC02907","","Present"
-"Erythritol","","","","","","","","","","","","","","","","","","","","","erythritol","C(C(C(CO)O)O)O","UNXHWFMMPAWVPI-ZXZARUISSA-N","222285",NA,"PDBC02908","","Present"
-"Estradiol benzoate","","","","","","","","","","","","","","","","","","","","","estradiol-benzoate","CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5","UYIFTLBWAOGQBI-BZDYCCQFSA-N","222757",NA,"PDBC02909","","Present"
-"Estradiol cypionate","","","","","","","","","","","","","","","","","","","","Estradiol Cypionate","estradiol-cypionate","CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O","UOACKFBJUYNSLK-XRKIENNPSA-N","9403",NA,"PDBC02910","3354","Present"
-"Ethacridine lactate monohydrate","","","","","","","","","","","","","","","","","","","","","ethacridine-lactate-monohydrate","CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O.O","NYEPHMYJRNWPLA-UHFFFAOYSA-N","165457",NA,"PDBC02911","","Present"
-"Ethinyl estradiol","","","","","","","","","","","","","","","","","","","","Ethinyl estradiol","ethinyl-estradiol","CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O","BFPYWIDHMRZLRN-SLHNCBLASA-N","5991",NA,"PDBC02912","10973","Present"
-"Etofylline clofibrate","","","","","","","","","","","","","","","","","","","","","etofylline-clofibrate","CC(C)(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl","KYAKGJDISSNVPZ-UHFFFAOYSA-N","41109",NA,"PDBC02913","","Present"
-"Evacetrapib","","","","","","","","","","","","","","","","","","","","","evacetrapib","CC1=CC(=C2C(=C1)C(CCCN2CC3CCC(CC3)C(=O)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NN(N=N5)C)C","IHIUGIVXARLYHP-UXNJHFGPSA-N","49836058",NA,"PDBC02914","","Present"
-"Evodiamine","","","","","","","","","","","","","","","","","","","","","evodiamine","CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3","TXDUTHBFYKGSAH-SFHVURJKSA-N","442088",NA,"PDBC02915","","Present"
-"Exatecan","","","","","","","","","","","","","","","","","","","","","exatecan-mesylate","CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O","ZVYVPGLRVWUPMP-FYSMJZIKSA-N","151115",NA,"PDBC02916","","Present"
-"Famciclovir","","","","","","","","","","","","","","","","","","","","","famciclovir","CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C","GGXKWVWZWMLJEH-UHFFFAOYSA-N","3324",NA,"PDBC02917","","Present"
-"famotidine","","","","","","","","","","","","","","","","","","","","","famotidine","C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N","XUFQPHANEAPEMJ-UHFFFAOYSA-N","5702160",NA,"PDBC02918","","Present"
-"Favipiravir","","","","","","","","","","","","","","","","","","","","","favipiravir","C1=C(N=C(C(=O)N1)C(=O)N)F","ZCGNOVWYSGBHAU-UHFFFAOYSA-N","492405",NA,"PDBC02919","","Present"
-"5-Fluoro-2-Deoxycytidine","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-Deoxycytidine","fdcyd","C1C(C(OC1N2C=C(C(=NC2=O)N)F)CO)O","IDYKCXHJJGMAEV-UHFFFAOYSA-N","240980",NA,"PDBC02920","48006","Present"
-"Felbamate","","","","","","","","","","","","","","","","","","","","","felbamate","C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N","WKGXYQFOCVYPAC-UHFFFAOYSA-N","3331",NA,"PDBC02921","","Present"
-"Fenaclon","","","","","","","","","","","","","","","","","","","","","fenaclon","C1=CC=C(C=C1)CCNC(=O)CCCl","BITWVVLBVUMFHU-UHFFFAOYSA-N","9376",NA,"PDBC02922","","Present"
-"Fenretinide","","","","","","","","","","","","","","","","","","","","FENRETINIDE///NSC760419","fenretinide","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C","AKJHMTWEGVYYSE-FXILSDISSA-N","5288209",NA,"PDBC02923","374551///760419","Present"
-"Fexinidazole","","","","","","","","","","","","","","","","","","","","","fexinidazole","CN1C(=CN=C1COC2=CC=C(C=C2)SC)[N+](=O)[O-]","MIWWSGDADVMLTG-UHFFFAOYSA-N","68792",NA,"PDBC02924","","Present"
-"Filgotinib","","","","","","","","","","","","","","","","","","","","","filgotinib","C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4=CC=C(C=C4)CN5CCS(=O)(=O)CC5","RIJLVEAXPNLDTC-UHFFFAOYSA-N","49831257",NA,"PDBC02925","","Present"
-"Finafloxacin","","","","","","","","","","","","","","","","","","","","","finafloxacin","C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4CC5C(C4)OCCN5)F)C(=O)O","FYMHQCNFKNMJAV-HOTGVXAUSA-N","11567473",NA,"PDBC02926","","Present"
-"Fleroxacin","","","","","","","","","","","","","","","","","","","","","fleroxacin","CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F","XBJBPGROQZJDOJ-UHFFFAOYSA-N","3357",NA,"PDBC02927","","Present"
-"Flubendazole","","","","","","","","","","","","","","","","","","","","Flubenol","flubendazole","COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F","CPEUVMUXAHMANV-UHFFFAOYSA-N","35802",NA,"PDBC02928","313680","Present"
-"Fludarabine phosphate","","","","","","","","","","","","","","","","","","","","","fludarabine-phosphate","C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)F)N","GIUYCYHIANZCFB-FJFJXFQQSA-N","30751",NA,"PDBC02929","","Present"
-"Flumatinib","","","","","","","","","","","","","","","","","","","","","flumatinib","CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5","BJCJYEYYYGBROF-UHFFFAOYSA-N","46848036",NA,"PDBC02930","","Present"
-"Flumethasone pivalate","","","","","","","","","","","","","","","","","","","","","flumethasone-pivalate","CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F","JWRMHDSINXPDHB-OJAGFMMFSA-N","443980",NA,"PDBC02931","","Present"
-"Fluocinolone acetonide","","","","","","","","","","","","","","","","","","","","","fluocinolone-acetonide","CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C","FEBLZLNTKCEFIT-VSXGLTOVSA-N","6215",NA,"PDBC02932","","Present"
-"fluoromethylcholine","","","","","","","","","","","","","","","","","","","","","fluoromethylcholine","C[N+](C)(CCO)CF","PBVFROWIWWGIFK-UHFFFAOYSA-N","404592",NA,"PDBC02933","","Present"
-"Fluroxene","","","","","","","","","","","","","","","","","","","","","fluroxene","C=COCC(F)(F)F","DLEGDLSLRSOURQ-UHFFFAOYSA-N","9844",NA,"PDBC02934","","Present"
-"Fluticasone propionate","","","","","","","","","","","","","","","","","","","","","fluticasone-propionate","CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF","WMWTYOKRWGGJOA-CENSZEJFSA-N","444036",NA,"PDBC02935","","Present"
-"Formestane","","","","","","","","","","","","","","","","","","","","B, Aromatase inhibitor","formestane","CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCC4=O)C)O","OSVMTWJCGUFAOD-KZQROQTASA-N","11273",NA,"PDBC02936","282175","Present"
-"Forodesine","","","","","","","","","","","","","","","","","","","","","forodesine","C1=C(C2=C(N1)C(=O)NC=N2)C3C(C(C(N3)CO)O)O","IWKXDMQDITUYRK-KUBHLMPHSA-N","135409409",NA,"PDBC02937","","Present"
-"Fosbretabulin","","","","","","","","","","","","","","","","","","","","","fosbretabulin","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O","WDOGQTQEKVLZIJ-WAYWQWQTSA-N","5351387",NA,"PDBC02938","","Present"
-"Foscarnet","","","","","","","","","","","","","","","","","","","","","foscarnet","C(=O)(O)P(=O)(O)O","ZJAOAACCNHFJAH-UHFFFAOYSA-N","3415",NA,"PDBC02939","","Present"
-"Frentizole","","","","","","","","","","","","","","","","","","","","","frentizole","COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3","JHBWYQRKOUBPCA-UHFFFAOYSA-N","33334",NA,"PDBC02940","","Present"
-"Tegafur","","","","","","","","","","","","","","","","","","","Tegafur","Tegafur","ftorafur","C1CC(OC1)N2C=C(C(=O)NC2=O)F","WFWLQNSHRPWKFK-UHFFFAOYSA-N","5386",NA,"PDBC02941","148958","Present"
-"Fudosteine","","","","","","","","","","","","","","","","","","","","","fudosteine","C(CO)CSCC(C(=O)O)N","KINWYTAUPKOPCQ-YFKPBYRVSA-N","134669",NA,"PDBC02942","","Present"
-"Galeterone","","","","","","","","","","","","","","","","","","","","","galeterone","CC12CCC(CC1=CCC3C2CCC4(C3CC=C4N5C=NC6=CC=CC=C65)C)O","PAFKTGFSEFKSQG-PAASFTFBSA-N","11188409",NA,"PDBC02943","","Present"
-"Gambogic acid","","","","","","","","","","","","","","","","","","","","Gambogic acid","gambogic-acid","CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C)C","GEZHEQNLKAOMCA-JDDSCDDDSA-N","11599836",NA,"PDBC02944","693702","Present"
-"gamma-Aminobutyric acid","","","","","","","","","","","","","","","","","","","","","gamma-aminobutyric-acid","C(CC(=O)O)CN","BTCSSZJGUNDROE-UHFFFAOYSA-N","119",NA,"PDBC02945","","Present"
-"Ganetespib","","","","","","","","","","","","","","","","","","","","Ganetespib","ganetespib","CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O","RVAQIUULWULRNW-UHFFFAOYSA-N","135564985",NA,"PDBC02946","765435","Present"
-"Gastrodin","","","","","","","","","","","","","","","","","","","","","gastrodin","C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O","PUQSUZTXKPLAPR-UJPOAAIJSA-N","115067",NA,"PDBC02947","","Present"
-"Genipin","","","","","","","","","","","","","","","","","","","","","genipin","COC(=O)C1=COC(C2C1CC=C2CO)O","AZKVWQKMDGGDSV-BCMRRPTOSA-N","442424",NA,"PDBC02948","","Present"
-"Genz-644282","","","","","","","","","","","","","","","","","","","","SAR-402674","genz-644282","CNCCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC","BAORCAMWLWRZQG-UHFFFAOYSA-N","10294813",NA,"PDBC02949","768112","Present"
-"Gestrinone","","","","","","","","","","","","","","","","","","","","","gestrinone","CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O","BJJXHLWLUDYTGC-ANULTFPQSA-N","27812",NA,"PDBC02950","","Present"
-"Gidazepam","","","","","","","","","","","","","","","","","","","","","gidazepam","C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC(=O)NN","XLGCMZLSEXRBSG-UHFFFAOYSA-N","121919",NA,"PDBC02951","","Present"
-"Gilteritinib","","","","","","","","","","","","","","","","","Gilteritinib (ASP-2215)","","","Gilteritinib HCl///gilteritinib///Gilteritinib","gilteritinib","","","49803313",NA,"PDBC02952","787854///787846///800106","Present"
-"Gimeracil","","","","","","","","","","","","","","","","","","","","","gimeracil","C1=C(C(=CNC1=O)Cl)O","ZPLQIPFOCGIIHV-UHFFFAOYSA-N","54679224",NA,"PDBC02953","","Present"
-"Givinostat","","","","","","","","","","","","","","","","","","","","","givinostat","CCN(CC)CC1=CC2=C(C=C1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)C(=O)NO","YALNUENQHAQXEA-UHFFFAOYSA-N","9804992",NA,"PDBC02954","","Present"
-"golgicide-a","","","","","","","","","","","","","","","","","","","","","golgicide-a","C1C=CC2C1C(NC3=C2C=C(C=C3F)F)C4=CN=CC=C4","NJZHEQOUHLZCOX-WOSRLPQWSA-N","1085377",NA,"PDBC02955","","Present"
-"Golvatinib","","","","","","","","","","","","","","","","","","","","Golvatinib","golvatinib","CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC(=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F","UQRCJCNVNUFYDX-UHFFFAOYSA-N","16118392",NA,"PDBC02956","800107","Present"
-"Guanidine","","","","","","","","","","","","","","","","","","","","","guanidine","C(=N)(N)N","ZRALSGWEFCBTJO-UHFFFAOYSA-N","3520",NA,"PDBC02957","","Present"
-"Halobetasol propionate","","","","","","","","","","","","","","","","","","","","","halobetasol-propionate","CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)CCl","BDSYKGHYMJNPAB-LICBFIPMSA-N","6918178",NA,"PDBC02958","","Present"
-"halofuginone","","","","","","","","","","","","","","","","","","","","","halofuginone","C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O","LVASCWIMLIKXLA-LSDHHAIUSA-N","400772",NA,"PDBC02959","","Present"
-"Harringtonine","","","","","","","","","","","","","","","","","","","","harringtonin","harringtonine","CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O","HAVJATCHLFRDHY-KSZYUSJVSA-N","276389",NA,"PDBC02960","124147","Present"
-"Hesperadin","","","","","","","","","","","","","","","","","","","","","hesperadin","CCS(=O)(=O)NC1=CC2=C(C=C1)NC(=C2C(=NC3=CC=C(C=C3)CN4CCCCC4)C5=CC=CC=C5)O","HYHIYZMIFPJROG-UHFFFAOYSA-N","135421442",NA,"PDBC02961","","Present"
-"Hexachlorophene","","","","","","","","","","","","","","","","","","","","HEXACHLOROPHENE","hexachlorophene","C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl","ACGUYXCXAPNIKK-UHFFFAOYSA-N","3598",NA,"PDBC02962","757055","Present"
-"Hexaminolevulinate","","","","","","","","","","","","","","","","","","","","","hexaminolevulinate","CCCCCCOC(=O)CCC(=O)CN","RYQOILLJDKPETL-UHFFFAOYSA-N","6433083",NA,"PDBC02963","","Present"
-"Hexylresorcinol","","","","","","","","","","","","","","","","","","","","Hexylresorcinol","hexylresorcinol","CCCCCCC1=C(C=C(C=C1)O)O","WFJIVOKAWHGMBH-UHFFFAOYSA-N","3610",NA,"PDBC02964","1570","Present"
-"Homoquinolinic acid","","","","","","","","","","","","","","","","","","","","","homoquinolinic-acid","C1=CC(=C(N=C1)C(=O)O)CC(=O)O","HQPMJFFEXJELOQ-UHFFFAOYSA-N","3080554",NA,"PDBC02965","","Present"
-"hydroxytacrine-maleate-(r,s)","","","","","","","","","","","","","","","","","","","","","hydroxytacrine-maleate-(r,s)","C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O","HLVVITIHAZBPKB-NSHDSACASA-N","667530",NA,"PDBC02966","","Present"
-"Hyodeoxycholic acid","","","","","","","","","","","","","","","","","","","","","hyodeoxycholic-acid","CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C","DGABKXLVXPYZII-SIBKNCMHSA-N","5283820",NA,"PDBC02967","","Present"
-"Hypericin","","","","","","","","","","","","","","","","","","","Hypericin","cyclosan///Hypericin","hypericin","CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O","YDOIFHVUBCIUHF-UHFFFAOYSA-N","3663",NA,"PDBC02968","407313///622946","Present"
-"Hypoestoxide","","","","","","","","","","","","","","","","","","","","","hypoestoxide","CC(=O)OC1CC2(C(O2)CCC3(C(O3)CC4CC(=O)C(=C)C1C4(C)C)C)C","HNPAHGHFONBTLV-KSJQNFQUSA-N","11199742",NA,"PDBC02969","","Present"
-"Ibutilide","","","","","","","","","","","","","","","","","","","","","ibutilide","CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O","ALOBUEHUHMBRLE-UHFFFAOYSA-N","60753",NA,"PDBC02970","","Present"
-"Icotinib","","","","","","","","","","","","","","","","","","","","","icotinib","C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4","QQLKULDARVNMAL-UHFFFAOYSA-N","22024915",NA,"PDBC02971","","Present"
-"Idasanutlin","","","","","","","","","","","","","","","","","","","","RG-7388","idasanutlin","CC(C)(C)CC1C(C(C(N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)F","TVTXCJFHQKSQQM-LJQIRTBHSA-N","53358942",NA,"PDBC02972","779404","Present"
-"Idronoxil","","","","","","","","","","","","","","","","","","","","","idronoxil","C1C(=CC2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O","ZZUBHVMHNVYXRR-UHFFFAOYSA-N","219100",NA,"PDBC02973","","Present"
-"Imidapril","","","","","","","","","","","","","","","","","","","","","imidapril","CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CN(C2=O)C)C(=O)O","KLZWOWYOHUKJIG-BPUTZDHNSA-N","5464343",NA,"PDBC02974","","Present"
-"Imiloxan","","","","","","","","","","","","","","","","","","","","","imiloxan","CCN1C=CN=C1CC2COC3=CC=CC=C3O2","UXABARREKCJULM-UHFFFAOYSA-N","133621",NA,"PDBC02975","","Present"
-"Indibulin","","","","","","","","","","","","","","","","","","","","Indibulin","indibulin","C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4","SOLIIYNRSAWTSQ-UHFFFAOYSA-N","2929",NA,"PDBC02976","758489","Present"
-"Indiplon","","","","","","","","","","","","","","","","","","","","","indiplon","CC(=O)N(C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4","CBIAWPMZSFFRGN-UHFFFAOYSA-N","6450813",NA,"PDBC02977","","Present"
-"Indirubin","","","","","","","","","","","","","","","","","","","","","indirubin","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O","JNLNPCNGMHKCKO-UHFFFAOYSA-N","10177",NA,"PDBC02978","","Present"
-"Ingenol mebutate","","","","","","","","","","","","","","","","","","","","","ingenol-mebutate","CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C","VDJHFHXMUKFKET-WDUFCVPESA-N","6918670",NA,"PDBC02979","","Present"
-"Inosine","","","","","","","","","","","","","","","","","","","","","inosine","C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O","UGQMRVRMYYASKQ-KQYNXXCUSA-N","135398641",NA,"PDBC02980","","Present"
-"4-Iododexetimide","","","","","","","","","","","","","","","","","","","","","iododexetimide","C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)I","WJLRTFJPHDSXAF-HSZRJFAPSA-N","11755220",NA,"PDBC02981","","Present"
-"Ipsapirone","","","","","","","","","","","","","","","","","","","Ipsapirone","","ipsapirone","C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4","TZJUVVIWVWFLCD-UHFFFAOYSA-N","56971",NA,"PDBC02982","","Present"
-"Isofloxythepin","","","","","","","","","","","","","","","","","","","","","isofloxythepin","CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCO)C=CC(=C3)F","XDBMBHVYXPBOPL-UHFFFAOYSA-N","115193",NA,"PDBC02983","","Present"
-"Isometheptene-mucate","","","","","","","","","","","","","","","","","","","","","isometheptene-mucate","CC(CCC=C(C)C)NC","XVQUOJBERHHONY-VIFPVBQESA-N","6604597",NA,"PDBC02984","","Present"
-"Isopropyl myristate","","","","","","","","","","","","","","","","","","","","","isopropyl-myristate","CCCCCCCCCCCCCC(=O)OC(C)C","AXISYYRBXTVTFY-UHFFFAOYSA-N","8042",NA,"PDBC02985","","Present"
-"Ixazomib-citrate","","","","","","","","","","","","","","","","","","","","","ixazomib-citrate","B1(OC(=O)CC(O1)(CC(=O)O)C(=O)O)C(CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl","YTXSYWAKVMZICI-VBKZILBWSA-N","69040311",NA,"PDBC02986","","Present"
-"Kifunensine","","","","","","","","","","","","","","","","","","","","","kifunensine","C(C1C(C(C(C2N1C(=O)C(=O)N2)O)O)O)O","OIURYJWYVIAOCW-PQMKYFCFSA-N","130611",NA,"PDBC02987","","Present"
-"Kynurenic acid","","","","","","","","","","","","","","","","","","","","","kynurenic-acid","C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O","HCZHHEIFKROPDY-UHFFFAOYSA-N","3845",NA,"PDBC02988","","Present"
-"Lactitol","","","","","","","","","","","","","","","","","","","","","lacitol","C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O","VQHSOMBJVWLPSR-JVCRWLNRSA-N","157355",NA,"PDBC02989","","Present"
-"Lafutidine","","","","","","","","","","","","","","","","","","","","","lafutidine","C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CS(=O)CC3=CC=CO3","KMZQAVXSMUKBPD-DJWKRKHSSA-N","5282136",NA,"PDBC02990","","Present"
-"Lanoconazole","","","","","","","","","","","","","","","","","","","","","lanoconazole","C1C(SC(=C(C#N)N2C=CN=C2)S1)C3=CC=CC=C3Cl","ZRTQSJFIDWNVJW-WYMLVPIESA-N","3002820",NA,"PDBC02991","","Present"
-"Lappaconitine","","","","","","","","","","","","","","","","","","","","","lappaconite","CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5(C6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C","NWBWCXBPKTTZNQ-QOQRDJBUSA-N","90479327",NA,"PDBC02992","","Present"
-"Latanoprost","","","","","","","","","","","","","","","","","","","","","latanoprost","CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O","GGXICVAJURFBLW-CEYXHVGTSA-N","5311221",NA,"PDBC02993","","Present"
-"Latrepirdine","","","","","","","","","","","","","","","","","","","","","latrepirdine","CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C","JNODQFNWMXFMEV-UHFFFAOYSA-N","197033",NA,"PDBC02994","","Present"
-"Lerisetron","","","","","","","","","","","","","","","","","","","","","lerisetron","C1CN(CCN1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4","PWWDCRQZITYKDV-UHFFFAOYSA-N","65997",NA,"PDBC02995","","Present"
-"Leucovorin","","","","","","","","","","","","","","","","","","","","","leucovorin","C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","VVIAGPKUTFNRDU-ABLWVSNPSA-N","135403648",NA,"PDBC02996","","Present"
-"Levocarnitine","","","","","","","","","","","","","","","","","","","","","levocarnitine","C[N+](C)(C)CC(CC(=O)[O-])O","PHIQHXFUZVPYII-ZCFIWIBFSA-N","10917",NA,"PDBC02997","","Present"
-"Levocetirizine","","","","","","","","","","","","","","","","","","","","","levocetirizine","C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl","ZKLPARSLTMPFCP-OAQYLSRUSA-N","1549000",NA,"PDBC02998","","Present"
-"Licochalcone a","","","","","","","","","","","","","","","","","","","","","licochalcone-a","CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)OC)O","KAZSKMJFUPEHHW-DHZHZOJOSA-N","5318998",NA,"PDBC02999","","Present"
-"Lidamidine","","","","","","","","","","","","","","","","","","","","","lidamidine","CC1=C(C(=CC=C1)C)NC(=O)NC(=NC)N","RRHJHSBDJDZUGL-UHFFFAOYSA-N","47510",NA,"PDBC03000","","Present"
-"Linalool","","","","","","","","","","","","","","","","","","","","","linalool","CC(=CCCC(C)(C=C)O)C","CDOSHBSSFJOMGT-UHFFFAOYSA-N","6549",NA,"PDBC03001","","Present"
-"Litronesib","","","","","","","","","","","","","","","","","","","","NSC789722","litronesib","CCNCCS(=O)(=O)NCC1(N(N=C(S1)NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C2=CC=CC=C2","YVAFBXLHPINSIK-QHCPKHFHSA-N","25167017",NA,"PDBC03002","789722","Present"
-"Lomitapide","","","","","","","","","","","","","","","","","","","","","lomitapide","C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F","MBBCVAKAJPKAKM-UHFFFAOYSA-N","9853053",NA,"PDBC03003","","Present"
-"Lonafarnib","","","","","","","","","","","","","","","","","","","","","lonafarnib","C1CN(CCC1CC(=O)N2CCC(CC2)C3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N","DHMTURDWPRKSOA-RUZDIDTESA-N","148195",NA,"PDBC03004","","Present"
-"Lorazepam","","","","","","","","","","","","","","","","","","","","","lorazepam","C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl","DIWRORZWFLOCLC-UHFFFAOYSA-N","3958",NA,"PDBC03005","","Present"
-"Lorlatinib","","","","","","","","","","","","","","","","","","","","PF-06463922","lorlatinib","CC1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C","IIXWYSCJSQVBQM-LLVKDONJSA-N","71731823",NA,"PDBC03006","780108","Present"
-"N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamine","","","","","","","","","","","","","","","","","","","","","loxistatin-acid","CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(O1)C(=O)O","SCMSYZJDIQPSDI-SRVKXCTJSA-N","123664",NA,"PDBC03007","","Present"
-"Lucitanib","","","","","","","","","","","","","","","","","","","","E-3810","lucitanib","CNC(=O)C1=CC=CC2=C1C=CC(=C2)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC","CUDVHEFYRIWYQD-UHFFFAOYSA-N","25031915",NA,"PDBC03008","782762","Present"
-"Lurasidone","","","","","","","","","","","","","","","","","","","","","lurasidone","C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O","PQXKDMSYBGKCJA-CVTJIBDQSA-N","213046",NA,"PDBC03009","","Present"
-"Marimastat","","","","","","","","","","","","","","","","","","","","","marimastat","CC(C)CC(C(C(=O)NO)O)C(=O)NC(C(=O)NC)C(C)(C)C","OCSMOTCMPXTDND-OUAUKWLOSA-N","119031",NA,"PDBC03010","","Present"
-"Maxacalcitol","","","","","","","","","","","","","","","","","","","","","maxacalcitol","CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OCCC(C)(C)O","DTXXSJZBSTYZKE-ZDQKKZTESA-N","6398761",NA,"PDBC03011","","Present"
-"Maytansinol isobutyrate","","","","","","","","","","","","","","","","","","","","maytansine deriv","maytansinol-isobutyrate","CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O","OPQNCARIZFLNLF-VYRZMWHGSA-N","54604529",NA,"PDBC03012","292222","Present"
-"Meglitinide","","","","","","","","","","","","","","","","","","","","","meglitinide","COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)C(=O)O","SWLAMJPTOQZTAE-UHFFFAOYSA-N","41214",NA,"PDBC03013","","Present"
-"Melengestrol-acetate","","","","","","","","","","","","","","","","","","","","","melengestrol-acetate","CC1=CC2C(CCC3(C2CC(=C)C3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C","UDKABVSQKJNZBH-AKZSSJSASA-N","26604442",NA,"PDBC03014","","Present"
-"Meloxicam","","","","","","","","","","","","","","","","","","","","","meloxicam","CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O","ZRVUJXDFFKFLMG-UHFFFAOYSA-N","54677470",NA,"PDBC03015","","Present"
-"Mepivacaine","","","","","","","","","","","","","","","","","","","","","mepivacaine","CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C","INWLQCZOYSRPNW-UHFFFAOYSA-N","4062",NA,"PDBC03016","","Present"
-"Mericitabine","","","","","","","","","","","","","","","","","","","","","mericitabine","CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)C","MLESJYFEMSJZLZ-MAAOGQSESA-N","16122663",NA,"PDBC03017","","Present"
-"Merimepodib","","","","","","","","","","","","","","","","","","","","","merimepodib","COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)OC3CCOC3)C4=CN=CO4","JBPUGFODGPKTDW-SFHVURJKSA-N","153241",NA,"PDBC03018","","Present"
-"Mesna","","","","","","","","","","","","","","","","","","","","","mesna","C(CS(=O)(=O)[O-])S.[Na+]","XOGTZOOQQBDUSI-UHFFFAOYSA-M","23662354",NA,"PDBC03019","","Present"
-"metatinib","","","","","","","","","","","","","","","","","","","","","metatinib","C1=CC(=CC=C1C2=CNC=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)F","PDYXPCKITKHFOZ-UHFFFAOYSA-N","44155856",NA,"PDBC03020","","Present"
-"Methiazole","","","","","","","","","","","","","","","","","","","","","methiazole","CC(C)SC1=CC2=C(C=C1)N=C(N2)NC(=O)OC","SXJIZQPZESTWLD-UHFFFAOYSA-N","6604471",NA,"PDBC03021","","Present"
-"Methoxyflurane","","","","","","","","","","","","","","","","","","","","","methoxyflurane","COC(C(Cl)Cl)(F)F","RFKMCNOHBTXSMU-UHFFFAOYSA-N","4116",NA,"PDBC03022","","Present"
-"Methscopolamine","","","","","","","","","","","","","","","","","","","","","methscopolamine","C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C","LZCOQTDXKCNBEE-XJMZPCNVSA-N","71183",NA,"PDBC03023","","Present"
-"Methylphenidate","","","","","","","","","","","","","","","","","","","","","methylphenidate","COC(=O)C(C1CCCCN1)C2=CC=CC=C2","DUGOZIWVEXMGBE-UHFFFAOYSA-N","4158",NA,"PDBC03024","","Present"
-"Metoxibutropate","","","","","","","","","","","","","","","","","","","","","metoxibutropate","CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC=CC=C2OC","FVRWRGBTEHAPDI-UHFFFAOYSA-N","4464271",NA,"PDBC03025","","Present"
-"Mevastatin","","","","","","","","","","","","","","","","","","","Mevastatin","I518///MEVASTATIN","mevastatin","CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O","AJLFOPYRIVGYMJ-INTXDZFKSA-N","64715",NA,"PDBC03026","779705///759322","Present"
-"Mexenone","","","","","","","","","","","","","","","","","","","","","mexeneone","CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O","MJVGBKJNTFCUJM-UHFFFAOYSA-N","71645",NA,"PDBC03027","","Present"
-"Mibampator","","","","","","","","","","","","","","","","","","","","","mibampator","CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CCNS(=O)(=O)C","ULRDYYKSPCRXAJ-KRWDZBQOSA-N","9889366",NA,"PDBC03028","","Present"
-"Mibefradil","","","","","","","","","","","","","","","","","","","Mibefradil","","mibefradil","CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F","HBNPJJILLOYFJU-VMPREFPWSA-N","60663",NA,"PDBC03029","","Present"
-"Mocetinostat","","","","","","","","","","","","","","","","","","","","Mocetinostat","mocetinostat","C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)C4=CN=CC=C4","HRNLUBSXIHFDHP-UHFFFAOYSA-N","9865515",NA,"PDBC03030","760143","Present"
-"Morin","","","","","","","","","","","","","","","","","","","","morin","morin","C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O","YXOLAZRVSSWPPT-UHFFFAOYSA-N","5281670",NA,"PDBC03031","19801","Present"
-"Mozavaptan","","","","","","","","","","","","","","","","","","","","","mozavaptan","CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)N(C)C","WRNXUQJJCIZICJ-UHFFFAOYSA-N","119369",NA,"PDBC03032","","Present"
-"Mubritinib","","","","","","","","","","","","","","","","","","","","","mubritinib","C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F","ZTFBIUXIQYRUNT-MDWZMJQESA-N","6444692",NA,"PDBC03033","","Present"
-"Mycophenolate mofetil","","","","","","","","","","","","","","","","","","","","mycophenolate mofetil (usan)","mycophenolate-mofetil","CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O","RTGDFNSFWBGLEC-SYZQJQIISA-N","5281078",NA,"PDBC03034","758905","Present"
-"Nadifloxacin","","","","","","","","","","","","","","","","","","","","","nadifloxacin","CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O","JYJTVFIEFKZWCJ-UHFFFAOYSA-N","4410",NA,"PDBC03035","","Present"
-"Ccris 8440","","","","","","","","","","","","","","","","","","","","","nanchangmycin","CC1CC(C(OC1C2CC(C3(O2)C(C(CC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)[O-])C)O)C)OC6CCC(C(O6)C)OC)C)C)(CO)O)C.[Na+]","XMAIRYYXDCNFKP-SEDNIUBGSA-M","86278937",NA,"PDBC03036","","Present"
-"Napabucasin","","","","","","","","","","","","","","","","","","","","napabucasin","napabucasin","CC(=O)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O","DPHUWDIXHNQOSY-UHFFFAOYSA-N","10331844",NA,"PDBC03037","788900","Present"
-"Narasin","","","","","","","","","","","","","","","","","","","","","narasin","CCC(C1C(CC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C)C(=O)O","VHKXXVVRRDYCIK-CWCPJSEDSA-N","65452",NA,"PDBC03038","","Present"
-"Narlaprevir","","","","","","","","","","","","","","","","","","","","","narlaprevir","CCCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C","RICZEKWVNZFTNZ-LFGITCQGSA-N","11857239",NA,"PDBC03039","","Present"
-"Navarixin","","","","","","","","","","","","","","","","","","","","","navarixin","CCC(C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C","RXIUEIPPLAFSDF-CYBMUJFWSA-N","9865554",NA,"PDBC03040","","Present"
-"Nefiracetam","","","","","","","","","","","","","","","","","","","","","nefiracetam","CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O","NGHTXZCKLWZPGK-UHFFFAOYSA-N","71157",NA,"PDBC03041","","Present"
-"Emonapride","","","","","","","","","","","","","","","","","","","","","nemonapride","CC1C(CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3OC)NC)Cl","KRVOJOCLBAAKSJ-RDTXWAMCSA-N","156333",NA,"PDBC03042","","Present"
-"Nemorubicin","","","","","","","","","","","","","","","","","","","","","nemorubicin","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOC(C6)OC)O","CTMCWCONSULRHO-UHQPFXKFSA-N","65907",NA,"PDBC03043","","Present"
-"Nexturastat A","","","","","","","","","","","","","","","","","","","","","nexturastat-a","CCCCN(CC1=CC=C(C=C1)C(=O)NO)C(=O)NC2=CC=CC=C2","JZWXMCPARMXZQV-UHFFFAOYSA-N","71462653",NA,"PDBC03044","","Present"
-"Nicorandil","","","","","","","","","","","","","","","","","","","","","nicorandil","C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]","LBHIOVVIQHSOQN-UHFFFAOYSA-N","47528",NA,"PDBC03045","","Present"
-"Nicotine","","","","","","","","","","","","","","","","","","","","","nicotine","CN1CCCC1C2=CN=CC=C2","SNICXCGAKADSCV-JTQLQIEISA-N","89594",NA,"PDBC03046","","Present"
-"Nimorazole","","","","","","","","","","","","","","","","","","","","","nimorazole","C1COCCN1CCN2C=NC=C2[N+](=O)[O-]","MDJFHRLTPRPZLY-UHFFFAOYSA-N","23009",NA,"PDBC03047","","Present"
-"Nitarsone","","","","","","","","","","","","","","","","","","","","","nitarsone","C1=CC(=CC=C1[N+](=O)[O-])[As](=O)(O)O","FUUFQLXAIUOWML-UHFFFAOYSA-N","66826",NA,"PDBC03048","","Present"
-"Nithiamide","","","","","","","","","","","","","","","","","","","","","nithiamide","CC(=O)NC1=NC=C(S1)[N+](=O)[O-]","UJRRDDHEMZLWFI-UHFFFAOYSA-N","8798",NA,"PDBC03049","","Present"
-"Nitisinone","","","","","","","","","","","","","","","","","","","","nitisinone","nitisinone","C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]","OUBCNLGXQFSTLU-UHFFFAOYSA-N","115355",NA,"PDBC03050","773149","Present"
-"nitrocaramiphen","","","","","","","","","","","","","","","","","","","","","nitrocaramiphen","CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=C(C=C2)[N+](=O)[O-]","NSHMVLOWOAQFTP-UHFFFAOYSA-N","3941250",NA,"PDBC03051","","Present"
-"Nizofenone","","","","","","","","","","","","","","","","","","","","","nizofenone","CCN(CC)CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl","WZGBZLHGOVJDET-UHFFFAOYSA-N","4514",NA,"PDBC03052","","Present"
-"Nobiletin","","","","","","","","","","","","","","","","","","","","Nobiletin","nobiletin","COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC","MRIAQLRQZPPODS-UHFFFAOYSA-N","72344",NA,"PDBC03053","76751","Present"
-"Nomegestrol acetate","","","","","","","","","","","","","","","","","","","","","nomegestrol-acetate","CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4C1=CC(=O)CC4","IIVBFTNIGYRNQY-YQLZSBIMSA-N","91668",NA,"PDBC03054","","Present"
-"Nonoxynol-9","","","","","","","","","","","","","","","","","","","","NONOXYNOL-9","nonoxynol-9","CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO","FBWNMEQMRUMQSO-UHFFFAOYSA-N","72385",NA,"PDBC03055","758941","Present"
-"Norepinephrine","","","","","","","","","","","","","","","","","","","","","norepinephrine","C1=CC(=C(C=C1C(CN)O)O)O","SFLSHLFXELFNJZ-QMMMGPOBSA-N","439260",NA,"PDBC03056","","Present"
-"Obidoxime","","","","","","","","","","","","","","","","","","","","","obidoxime","C1=C[N+](=CC=C1C=NO)COC[N+]2=CC=C(C=C2)C=NO","HIGRLDNHDGYWQJ-UHFFFAOYSA-P","135412781",NA,"PDBC03057","","Present"
-"Octenidine","","","","","","","","","","","","","","","","","","","","","octenidine","CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2","ZVXNYZWXUADSRV-UHFFFAOYSA-N","51167",NA,"PDBC03058","","Present"
-"Odanacatib","","","","","","","","","","","","","","","","","","","","Odanacatib","odanacatib","CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F","FWIVDMJALNEADT-SFTDATJTSA-N","10152654",NA,"PDBC03059","766811","Present"
-"Oleanolic acid","","","","","","","","","","","","","","","","","","","","","oleanolic-acid","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C","MIJYXULNPSFWEK-GTOFXWBISA-N","10494",NA,"PDBC03060","","Present"
-"n-Oleoylethanolamine","","","","","","","","","","","","","","","","","","","","","oleoylethanolamide","CCCCCCCCC=CCCCCCCCC(=O)NCCO","BOWVQLFMWHZBEF-KTKRTIGZSA-N","5283454",NA,"PDBC03061","","Present"
-"Oltipraz","","","","","","","","","","","","","","","","","","","","oltipraz","oltipraz","CC1=C(SSC1=S)C2=NC=CN=C2","CKNAQFVBEHDJQV-UHFFFAOYSA-N","47318",NA,"PDBC03062","347901","Present"
-"1-(4-Chlorobenzyl)-1H-indole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","","oncrasin-1","C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=O","ZDRQMXCSSAPUMM-UHFFFAOYSA-N","872445",NA,"PDBC03063","","Present"
-"Oprozomib","","","","","","","","","","","","","","","","","","","Oprozomib","Oprozomib","oprozomib","CC1=NC=C(S1)C(=O)NC(COC)C(=O)NC(COC)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(CO3)C","SWZXEVABPLUDIO-WSZYKNRRSA-N","25067547",NA,"PDBC03064","766254","Present"
-"Orantinib","","","","","","","","","","","","","","","","","","","","NSC702827///NSC763929","orantinib","CC1=C(NC(=C1CCC(=O)O)C)C=C2C3=CC=CC=C3NC2=O","NHFDRBXTEDBWCZ-ZROIWOOFSA-N","5329099",NA,"PDBC03065","702827///763929","Present"
-"Oridonin","","","","","","","","","","","","","","","","","","","","","oridonin","CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C","SDHTXBWLVGWJFT-XKCURVIJSA-N","5321010",NA,"PDBC03066","","Present"
-"L-Ornithine","","","","","","","","","","","","","","","","","","","","","ornithine","C(CC(C(=O)O)N)CN","AHLPHDHHMVZTML-BYPYZUCNSA-N","6262",NA,"PDBC03067","","Present"
-"Orotic acid","","","","","","","","","","","","","","","","","","","","","orotic-acid","C1=C(NC(=O)NC1=O)C(=O)O","PXQPEWDEAKTCGB-UHFFFAOYSA-N","967",NA,"PDBC03068","","Present"
-"Oseltamivir","","","","","","","","","","","","","","","","","","","","","oseltamivir-phosphate","CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC","VSZGPKBBMSAYNT-RRFJBIMHSA-N","65028",NA,"PDBC03069","","Present"
-"Oxazepam","","","","","","","","","","","","","","","","","","","","","oxazepam","C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O","ADIMAYPTOBDMTL-UHFFFAOYSA-N","4616",NA,"PDBC03070","","Present"
-"Oxcarbazepine","","","","","","","","","","","","","","","","","","","","","oxcarbazepine","C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N","CTRLABGOLIVAIY-UHFFFAOYSA-N","34312",NA,"PDBC03071","","Present"
-"Oxiperomide","","","","","","","","","","","","","","","","","","","","Peromide","oxiperomide","C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCOC4=CC=CC=C4","NVDBBGBUTKLRSN-UHFFFAOYSA-N","68634",NA,"PDBC03072","313681","Present"
-"Oxiracetam","","","","","","","","","","","","","","","","","","","","","oxiracetam","C1C(CN(C1=O)CC(=O)N)O","IHLAQQPQKRMGSS-UHFFFAOYSA-N","4626",NA,"PDBC03073","","Present"
-"Oxonic Acid","","","","","","","","","","","","","","","","","","","","","oxonic-acid","C1(=NC(=O)NC(=O)N1)C(=O)O","RYYCJUAHISIHTL-UHFFFAOYSA-N","4604",NA,"PDBC03074","","Present"
-"Oxymatrine","","","","","","","","","","","","","","","","","","","","","oxymatrine","C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]","XVPBINOPNYFXID-LHDUFFHYSA-N","114850",NA,"PDBC03075","","Present"
-"Oxyphencyclimine","","","","","","","","","","","","","","","","","","","","","oxyphencyclimine","CN1CCCN=C1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O","DUDKAZCAISNGQN-UHFFFAOYSA-N","4642",NA,"PDBC03076","","Present"
-"8-Hydroxyquinoline","","","","","","","","","","","","","","","","","","","","NSC2039///NSC285166","oxyquinoline","C1=CC2=C(C(=C1)O)N=CC=C2","MCJGNVYPOGVAJF-UHFFFAOYSA-N","1923",NA,"PDBC03077","2039///285166","Present"
-"Pacritinib","","","","","","","","","","","","","","","","","","","","NSC759674///NSC781626","pacritinib","C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2","HWXVIOGONBBTBY-ONEGZZNKSA-N","46216796",NA,"PDBC03078","759674///781626","Present"
-"Paliperidone","","","","","","","","","","","","","","","","","","","","","paliperidone","CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F","PMXMIIMHBWHSKN-UHFFFAOYSA-N","115237",NA,"PDBC03079","","Present"
-"Palmitoylethanolamide","","","","","","","","","","","","","","","","","","","","","palmitoylethanolamide","CCCCCCCCCCCCCCCC(=O)NCCO","HXYVTAGFYLMHSO-UHFFFAOYSA-N","4671",NA,"PDBC03080","","Present"
-"Palomid 529","","","","","","","","","","","","","","","","","","","","P-529","palomid-529","CC(C1=CC2=C(C=C1)C3=CC(=C(C=C3OC2=O)OCC4=CC=C(C=C4)OC)OC)O","YEAHTLOYHVWAKW-UHFFFAOYSA-N","11998575",NA,"PDBC03081","775306","Present"
-"4-Chlorophenol","","","","","","","","","","","","","","","","","","","","","parachlorophenol","C1=CC(=CC=C1O)Cl","WXNZTHHGJRFXKQ-UHFFFAOYSA-N","4684",NA,"PDBC03082","","Present"
-"Pardoprunox","","","","","","","","","","","","","","","","","","","","","pardoprunox","CN1CCN(CC1)C2=CC=CC3=C2OC(=O)N3","YVPUUUDAZYFFQT-UHFFFAOYSA-N","6918525",NA,"PDBC03083","","Present"
-"Paricalcitol","","","","","","","","","","","","","","","","","","","","","paricalcitol","CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C","BPKAHTKRCLCHEA-UBFJEZKGSA-N","5281104",NA,"PDBC03084","","Present"
-"Penicillamine","","","","","","","","","","","","","","","","","","","","","penicillamine-(D)","CC(C)(C(C(=O)O)N)S","VVNCNSJFMMFHPL-VKHMYHEASA-N","5852",NA,"PDBC03085","","Present"
-"Pentagastrin","","","","","","","","","","","","","","","","","","","","","pentagastrin","CC(C)(C)OC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N","NEYNJQRKHLUJRU-DZUOILHNSA-N","9853654",NA,"PDBC03086","","Present"
-"Peruvoside","","","","","","","","","","","","","","","","","","","","","peruvoside","CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)O)OC)O","PMTSPAGBAFCORP-HBUONDEYSA-N","12314120",NA,"PDBC03087","","Present"
-"Phenylbutazone","","","","","","","","","","","","","","","","","","","","","phenylbutazone","CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3","VYMDGNCVAMGZFE-UHFFFAOYSA-N","4781",NA,"PDBC03088","","Present"
-"Phenylmercuric acetate","","","","","","","","","","","","","","","","","","","","phenylmercuric acetate (usan)","phenylmercuric-acetate","CC(=O)O[Hg]C1=CC=CC=C1","XEBWQGVWTUSTLN-UHFFFAOYSA-M","16682730",NA,"PDBC03089","757402","Present"
-"Phlorizin","","","","","","","","","","","","","","","","","","","","","phlorizin","C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O","IOUVKUPGCMBWBT-QNDFHXLGSA-N","6072",NA,"PDBC03090","","Present"
-"Pibenzimol","","","","","","","","","","","","","","","","","","","","","pibenzimol","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)O","INAAIJLSXJJHOZ-UHFFFAOYSA-N","2392",NA,"PDBC03091","","Present"
-"Piperazine","","","","","","","","","","","","","","","","","","","","","piperazine","C1CNCCN1","GLUUGHFHXGJENI-UHFFFAOYSA-N","4837",NA,"PDBC03092","","Present"
-"Pitavastatin","","","","","","","","","","","","","","","","","","","","","pitavastatin","C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)O)O)O)C4=CC=C(C=C4)F","VGYFMXBACGZSIL-MCBHFWOFSA-N","5282452",NA,"PDBC03093","","Present"
-"Plinabulin","","","","","","","","","","","","","","","","","","","","Plinabulin","plinabulin","CC(C)(C)C1=C(N=CN1)C=C2C(=O)NC(=CC3=CC=CC=C3)C(=O)N2","UNRCMCRRFYFGFX-TYPNBTCFSA-N","9949641",NA,"PDBC03094","797934","Present"
-"Polydatin","","","","","","","","","","","","","","","","","","","","","polydatin","C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O","HSTZMXCBWJGKHG-CUYWLFDKSA-N","5281718",NA,"PDBC03095","","Present"
-"Pomalidomide","","","","","","","","","","","","","","","","","","","","Pomalidomide","pomalidomide","C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N","UVSMNLNDYGZFPF-UHFFFAOYSA-N","134780",NA,"PDBC03096","775351","Present"
-"Posaconazole","","","","","","","","","","","","","","","","","","","","","posaconazole","CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F","RAGOYPUPXAKGKH-XAKZXMRKSA-N","468595",NA,"PDBC03097","","Present"
-"Poziotinib","","","","","","","","","","","","","","","","","","","","NSC783296///NSC800856","poziotinib","COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=C(C=C3)Cl)Cl)F)OC4CCN(CC4)C(=O)C=C","LPFWVDIFUFFKJU-UHFFFAOYSA-N","25127713",NA,"PDBC03098","783296///800856","Present"
-"Pranidipine","","","","","","","","","","","","","","","","","","","","","pranidipine","CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC","XTFPDGZNWTZCMF-DHZHZOJOSA-N","6436048",NA,"PDBC03099","","Present"
-"Prednisolone hemisuccinate","","","","","","","","","","","","","","","","","","","","","prednisolone-hemisuccinate","CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCC(=O)O)O)CCC4=CC(=O)C=CC34C)O","APGDTXUMTIZLCJ-CGVGKPPMSA-N","656804",NA,"PDBC03100","","Present"
-"Prednisolone-tebutate","","","","","","","","","","","","","","","","","","","","","prednisolone-tebutate","CC12CC(C3C(C1CCC2(C(=O)COC(=O)CC(C)(C)C)O)CCC4=CC(=O)C=CC34C)O","HUMXXHTVHHLNRO-HGVFMWMISA-N","155903746",NA,"PDBC03101","","Present"
-"Proflavine","","","","","","","","","","","","","","","","","","","","NSC1510///NSC6095///3,6-Diaminoacridine hemisulfate///Proflavine HCl","proflavine-hemisulfate","C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N","WDVSHHCDHLJJJR-UHFFFAOYSA-N","7099",NA,"PDBC03102","1510///6095///689004///605756","Present"
-"Proscillaridin A","","","","","","","","","","","","","","","","","","","","simeon","proscillaridin-a","CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O","MYEJFUXQJGHEQK-OWBILYANSA-N","222154",NA,"PDBC03103","7521","Present"
-"Protirelin","","","","","","","","","","","","","","","","","","","","","protirelin","C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N","XNSAINXGIQZQOO-SRVKXCTJSA-N","638678",NA,"PDBC03104","","Present"
-"Pterostilbene","","","","","","","","","","","","","","","","","","","Pterostilbene","","pterostilbene","COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC","VLEUZFDZJKSGMX-ONEGZZNKSA-N","5281727",NA,"PDBC03105","","Present"
-"Pyrithione Zinc","","","","","","","","","","","","","","","","","","","","NSC290409","pyrithione-zinc","","","",NA,"PDBC03106","290409","Present"
-"Pyritinol","","","","","","","","","","","","","","","","","","","","","pyritinol","CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C","SIXLXDIJGIWWFU-UHFFFAOYSA-N","14190",NA,"PDBC03107","","Present"
-"Pyroxamide","","","","","","","","","","","","","","","","","","","","pyroxamide","pyroxamide","C1=CC(=CN=C1)NC(=O)CCCCCCC(=O)NO","PTJGLFIIZFVFJV-UHFFFAOYSA-N","4996",NA,"PDBC03108","696085","Present"
-"Rabeprazole","","","","","","","","","","","","","","","","","","","","","rabeprazole","CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC","YREYEVIYCVEVJK-UHFFFAOYSA-N","5029",NA,"PDBC03109","","Present"
-"Raclopride","","","","","","","","","","","","","","","","","","","","","raclopride","CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)O","WAOQONBSWFLFPE-VIFPVBQESA-N","3033769",NA,"PDBC03110","","Present"
-"Radezolid","","","","","","","","","","","","","","","","","","","","","radezolid","CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CNCC4=NNN=C4)F","BTTNOGHPGJANSW-IBGZPJMESA-N","11224409",NA,"PDBC03111","","Present"
-"Raltitrexed","","","","","","","","","","","","","","","","","","","","Raltitrexed","raltitrexed","CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1","IVTVGDXNLFLDRM-HNNXBMFYSA-N","135400182",NA,"PDBC03112","639186","Present"
-"Ramatroban","","","","","","","","","","","","","","","","","","","","","ramatroban","C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O","LDXDSHIEDAPSSA-OAHLLOKOSA-N","123879",NA,"PDBC03113","","Present"
-"Resatorvid","","","","","","","","","","","","","","","","","","","","","resatorvid","CCOC(=O)C1=CCCCC1S(=O)(=O)NC2=C(C=C(C=C2)F)Cl","LEEIJTHMHDMWLJ-CQSZACIVSA-N","11703255",NA,"PDBC03114","","Present"
-"Resiquimod","","","","","","","","","","","","","","","","","","","","","resiquimod","CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N","BXNMTOQRYBFHNZ-UHFFFAOYSA-N","159603",NA,"PDBC03115","","Present"
-"Resminostat","","","","","","","","","","","","","","","","","","","","","resminostat","CN(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C=CC(=O)NO","FECGNJPYVFEKOD-VMPITWQZSA-N","11609955",NA,"PDBC03116","","Present"
-"Physcion","","","","","","","","","","","","","","","","","","","","physcion","rheochrysidin","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC","FFWOKTFYGVYKIR-UHFFFAOYSA-N","10639",NA,"PDBC03117","251670","Present"
-"Xylitol","","","","","","","","","","","","","","","","","","","","","ribitol","C(C(C(C(CO)O)O)O)O","HEBKCHPVOIAQTA-NGQZWQHPSA-N","6912",NA,"PDBC03118","","Present"
-"Riociguat","","","","","","","","","","","","","","","","","","","","","riociguat","CN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC","WXXSNCNJFUAIDG-UHFFFAOYSA-N","11304743",NA,"PDBC03119","","Present"
-"Rociletinib","","","","","","","","","","","","","","","","","","","","CO-1686///Rociletinib","rociletinib","CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC","HUFOZJXAKZVRNJ-UHFFFAOYSA-N","57335384",NA,"PDBC03120","779405///800872","Present"
-"Roquinimex","","","","","","","","","","","","","","","","","","","","","roquinimex","CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O","SGOOQMRIPALTEL-UHFFFAOYSA-N","54676478",NA,"PDBC03121","","Present"
-"Rubitecan","","","","","","","","","","","","","","","","","","","","","rubitecan","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5[N+](=O)[O-])N=C4C3=C2)O","VHXNKPBCCMUMSW-FQEVSTJZSA-N","472335",NA,"PDBC03122","","Present"
-"4-Butylresorcinol","","","","","","","","","","","","","","","","","","","","","rucinol","CCCCC1=C(C=C(C=C1)O)O","CSHZYWUPJWVTMQ-UHFFFAOYSA-N","205912",NA,"PDBC03123","","Present"
-"Rutin","","","","","","","","","","","","","","","","","","","","","rutin","CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O","IKGXIBQEEMLURG-NVPNHPEKSA-N","5280805",NA,"PDBC03124","","Present"
-"Ryuvidine","","","","","","","","","","","","","","","","","","","","","ryuvidine","CC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)N=C(S3)C","HFPLHASLIOXVGS-UHFFFAOYSA-N","481747",NA,"PDBC03125","","Present"
-"Salidroside","","","","","","","","","","","","","","","","","","","","","salidroside","C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O","ILRCGYURZSFMEG-RKQHYHRCSA-N","159278",NA,"PDBC03126","","Present"
-"Salinomycin","","","","","","","","","","","","","","","","","","","","NSC757437","salinomycin","CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O","KQXDHUJYNAXLNZ-XQSDOZFQSA-N","3085092",NA,"PDBC03127","757437","Present"
-"Salvianolic acid B","","","","","","","","","","","","","","","","","","","","","salvianolic-acid-B","C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O","SNKFFCBZYFGCQN-PDVBOLEISA-N","11629084",NA,"PDBC03128","","Present"
-"Salvinorin A","","","","","","","","","","","","","","","","","","","","","salvinorin-a","CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)C4=COC=C4)C)C(=O)OC","OBSYBRPAKCASQB-AGQYDFLVSA-N","128563",NA,"PDBC03129","","Present"
-"Sangivamycin","","","","","","","","","","","","","","","","","","","","","sangivamycin","C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)N","OBZJZDHRXBKKTJ-JTFADIMSSA-N","14978",NA,"PDBC03130","","Present"
-"Sarafloxacin","","","","","","","","","","","","","","","","","","","","","sarafloxacin","C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F","XBHBWNFJWIASRO-UHFFFAOYSA-N","56208",NA,"PDBC03131","","Present"
-"Satraplatin","","","","","","","","","","","","","","","","","","","","","satraplatin","CC(=O)O.CC(=O)O.C1CCC(CC1)N.N.Cl[Pt]Cl","TWEQNPPRXJRHHM-UHFFFAOYSA-L","6918220",NA,"PDBC03132","","Present"
-"Saxagliptin","","","","","","","","","","","","","","","","","","","","","saxagliptin","C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N","QGJUIPDUBHWZPV-SGTAVMJGSA-N","11243969",NA,"PDBC03133","","Present"
-"Sclareol","","","","","","","","","","","","","","","","","","","","","sclareol","CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C","XVULBTBTFGYVRC-HHUCQEJWSA-N","163263",NA,"PDBC03134","","Present"
-"Se-methylselenocysteine","","","","","","","","","","","","","","","","","","","","","se-methylselenocysteine","C[Se]CC(C(=O)O)N","XDSSPSLGNGIIHP-VKHMYHEASA-N","147004",NA,"PDBC03135","","Present"
-"Secnidazole","","","","","","","","","","","","","","","","","","","","","secnidazole","CC1=NC=C(N1CC(C)O)[N+](=O)[O-]","KPQZUUQMTUIKBP-UHFFFAOYSA-N","71815",NA,"PDBC03136","","Present"
-"Selamectin","","","","","","","","","","","","","","","","","","","","","selamectin","CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)O)OC)C)OC1C7CCCCC7","AFJYYKSVHJGXSN-XHKIUTQPSA-N","9578507",NA,"PDBC03137","","Present"
-"Selinexor","","","","","","","","","","","","","","","","","Selinexor","KPT-330","","selinexor","selinexor","","","71481097",NA,"PDBC03138","780203","Present"
-"Semaxanib","","","","","","","","","","","","","","","","","","","","Semaxanib","semaxanib","CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C","WUWDLXZGHZSWQZ-WQLSENKSSA-N","5329098",NA,"PDBC03139","696819","Present"
-"Sertindole","","","","","","","","","","","","","","","","","","","Sertindole","","sertindole","C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O","GZKLJWGUPQBVJQ-UHFFFAOYSA-N","60149",NA,"PDBC03140","","Present"
-"Sevelamer","","","","","","","","","","","","","","","","","","","","","sevelamer","C=CCN.C1C(O1)CCl","ZNSIZMQNQCNRBW-UHFFFAOYSA-N","3085017",NA,"PDBC03141","","Present"
-"Sevoflurane","","","","","","","","","","","","","","","","","","","","","sevoflurane","C(OC(C(F)(F)F)C(F)(F)F)F","DFEYYRMXOJXZRJ-UHFFFAOYSA-N","5206",NA,"PDBC03142","","Present"
-"Sobetirome","","","","","","","","","","","","","","","","","","","","","sobetirome","CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O","QNAZTOHXCZPOSA-UHFFFAOYSA-N","9862248",NA,"PDBC03143","","Present"
-"Sodium glucoheptonate","","","","","","","","","","","","","","","","","","","","","sodium-glucoheptonate","C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Na+]","FMYOMWCQJXWGEN-UHFFFAOYSA-M","517057",NA,"PDBC03144","","Present"
-"Stibogluconic acid","","","","","","","","","","","","","","","","","","","","","sodium-stibogluconate","C(C(C1C2C(O[Sb](O2)(O1)O[Sb]34OC(C(O3)C(CO)O)C(O4)C(=O)O)C(=O)O)O)O.O.O","YVTOSJPXMJSKEV-XCCFGPONSA-N","90661669",NA,"PDBC03145","","Present"
-"Tanshinone iia sulfonic acid","","","","","","","","","","","","","","","","","","","","","sodium-tanshinone-ii-a-sulfonate","CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S(=O)(=O)O","UJCACMLMPLLRGW-UHFFFAOYSA-N","125782",NA,"PDBC03146","","Present"
-"Sparfloxacin","","","","","","","","","","","","","","","","","","","","","sparfloxacin","CC1CN(CC(N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F","DZZWHBIBMUVIIW-DTORHVGOSA-N","60464",NA,"PDBC03147","","Present"
-"Spermidine","","","","","","","","","","","","","","","","","","","","","spermidine","C(CCNCCCN)CN","ATHGHQPFGPMSJY-UHFFFAOYSA-N","1102",NA,"PDBC03148","","Present"
-"Spermine","","","","","","","","","","","","","","","","","","","","","spermine","C(CCNCCCN)CNCCCN","PFNFFQXMRSDOHW-UHFFFAOYSA-N","1103",NA,"PDBC03149","","Present"
-"Sufentanil","","","","","","","","","","","","","","","","","","","","","sufentanil","CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC","GGCSSNBKKAUURC-UHFFFAOYSA-N","41693",NA,"PDBC03150","","Present"
-"Tacalcitol","","","","","","","","","","","","","","","","","","","","","tacalcitol","CC(C)C(CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O","BJYLYJCXYAMOFT-RSFVBTMBSA-N","5283734",NA,"PDBC03151","","Present"
-"D-Tagatose","","","","","","","","","","","","","","","","","","","","","tagatose","C1C(C(C(C(O1)(CO)O)O)O)O","LKDRXBCSQODPBY-OEXCPVAWSA-N","439312",NA,"PDBC03152","","Present"
-"Talmapimod","","","","","","","","","","","","","","","","","","","","Talmapimod","talmapimod","CC1CN(C(CN1C(=O)C2=C(C=C3C(=C2)C(=CN3C)C(=O)C(=O)N(C)C)Cl)C)CC4=CC=C(C=C4)F","ZMELOYOKMZBMRB-DLBZAZTESA-N","9871074",NA,"PDBC03153","777446","Present"
-"Taltirelin","","","","","","","","","","","","","","","","","","","","","taltirelin","CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N","LQZAIAZUDWIVPM-SRVKXCTJSA-N","114750",NA,"PDBC03154","","Present"
-"Taltobulin","","","","","","","","","","","","","","","","","","","","","taltobulin","CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CC=CC=C1)NC","CNTMOLDWXSVYKD-PSRNMDMQSA-N","6918637",NA,"PDBC03155","","Present"
-"Tamibarotene","","","","","","","","","","","","","","","","","","","","Tamibarotene","tamibarotene","CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C","MUTNCGKQJGXKEM-UHFFFAOYSA-N","108143",NA,"PDBC03156","608000","Present"
-"Tanaproget","","","","","","","","","","","","","","","","","","","","","tanaproget","CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)C","PYVFWTPEBMRKSR-UHFFFAOYSA-N","4369524",NA,"PDBC03157","","Present"
-"Tanshinone I","","","","","","","","","","","","","","","","","","","","","tanshinone-i","CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C","AIGAZQPHXLWMOJ-UHFFFAOYSA-N","114917",NA,"PDBC03158","","Present"
-"Tasisulam","","","","","","","","","","","","","","","","","","","","","tasisulam","C1=CC(=C(C=C1Cl)Cl)C(=O)NS(=O)(=O)C2=CC=C(S2)Br","WWONFUQGBVOKOF-UHFFFAOYSA-N","10160238",NA,"PDBC03159","","Present"
-"Taurine","","","","","","","","","","","","","","","","","","","","o-due","taurine","C(CS(=O)(=O)O)N","XOAAWQZATWQOTB-UHFFFAOYSA-N","1123",NA,"PDBC03160","32428","Present"
-"Tazemetostat","","","","","","","","","","","","","","","","","","","","E-7438","tazemetostat","CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5","NSQSAUGJQHDYNO-UHFFFAOYSA-N","66558664",NA,"PDBC03161","777109","Present"
-"Tecastemizole","","","","","","","","","","","","","","","","","","","","","tecastemizole","C1CNCCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F","SFOVDSLXFUGAIV-UHFFFAOYSA-N","123618",NA,"PDBC03162","","Present"
-"Tedizolid","","","","","","","","","","","","","","","","","","","","","tedizolid///tedizolid-phosphate","CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CO)F","XFALPSLJIHVRKE-GFCCVEGCSA-N","11234049",NA,"PDBC03163","","Present"
-"Telatinib","","","","","","","","","","","","","","","","","","","","NSC776017///NSC800944","telatinib","CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl","QFCXANHHBCGMAS-UHFFFAOYSA-N","9808844",NA,"PDBC03164","776017///800944","Present"
-"Telotristat ethyl","","","","","","","","","","","","","","","","","","","","","telotristat-ethyl","CCOC(=O)C(CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)OC(C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N","MDSQOJYHHZBZKA-GBXCKJPGSA-N","25181577",NA,"PDBC03165","","Present"
-"Temazepam","","","","","","","","","","","","","","","","","","","","","temazepam","CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3","SEQDDYPDSLOBDC-UHFFFAOYSA-N","5391",NA,"PDBC03166","","Present"
-"Temocapril","","","","","","","","","","","","","","","","","","","","","temocapril","CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3","FIQOFIRCTOWDOW-BJLQDIEVSA-N","443874",NA,"PDBC03167","","Present"
-"Temoporfin","","","","","","","","","","","","","","","","","","","","","temoporfin","C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O","LYPFDBRUNKHDGX-UHFFFAOYSA-N","60751",NA,"PDBC03168","","Present"
-"Tepoxalin","","","","","","","","","","","","","","","","","","","","","tepoxalin","CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O","XYKWNRUXCOIMFZ-UHFFFAOYSA-N","59757",NA,"PDBC03169","","Present"
-"Teprenone","","","","","","","","","","","","","","","","","","","","","teprenone","CC(=CCCC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C)C","HUCXKZBETONXFO-NJFMWZAGSA-N","5282199",NA,"PDBC03170","","Present"
-"Teriflunomide","","","","","","","","","","","","","","","","","","","","Teriflunomide","teriflunomide","CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O","UTNUDOFZCWSZMS-YFHOEESVSA-N","54684141",NA,"PDBC03171","766118","Present"
-"Triglycidyl isocyanurate","","","","","","","","","","","","","","","","","","","","Teroxirone///triglycidylisocyanurate","teroxirone","C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4","OUPZKGBUJRBPGC-UHFFFAOYSA-N","17142",NA,"PDBC03172","296934///296964","Present"
-"tetrahydropapaverine","","","","","","","","","","","","","","","","","","","","","tetrahydropapaverine","COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC","YXWQTVWJNHKSCC-UHFFFAOYSA-N","5418",NA,"PDBC03173","","Present"
-"TETRAHYDROURIDINE","","","","","","","","","","","","","","","","","","","","TETRAHYDROURIDINE","tetrahydrouridine","C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O","UCKYOOZPSJFJIZ-UHFFFAOYSA-N","270480",NA,"PDBC03174","112907","Present"
-"Tetramethylthiuram monosulfide","","","","","","","","","","","","","","","","","","","","","tetramethylthiuram-monosulfide","CN(C)C(=S)SC(=S)N(C)C","REQPQFUJGGOFQL-UHFFFAOYSA-N","7347",NA,"PDBC03175","","Present"
-"Tezacaftor","","","","","","","","","","","","","","","","","","","","","tezacaftor","CC(C)(CO)C1=CC2=CC(=C(C=C2N1CC(CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F","MJUVRTYWUMPBTR-MRXNPFEDSA-N","46199646",NA,"PDBC03176","","Present"
-"Thimerosal","","","","","","","","","","","","","","","","","","","","","thiomersal","CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]","RTKIYNMVFMVABJ-UHFFFAOYSA-L","16684434",NA,"PDBC03177","","Present"
-"Thiram","","","","","","","","","","","","","","","","","","","","NSC1771///NSC49512///Thioperoxydicarbonic diamide, tetramethyl-","thiram","CN(C)C(=S)SSC(=S)N(C)C","KUAZQDVKQLNFPE-UHFFFAOYSA-N","5455",NA,"PDBC03178","1771///49512///622696","Present"
-"Thonzonium","","","","","","","","","","","","","","","","","","","","","thonzonium","CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2","IOYZYMQFUSNATM-UHFFFAOYSA-N","5456",NA,"PDBC03179","","Present"
-"Tiagabine","","","","","","","","","","","","","","","","","","","","","tiagabine","CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C","PBJUNZJWGZTSKL-MRXNPFEDSA-N","60648",NA,"PDBC03180","","Present"
-"Tideglusib","","","","","","","","","","","","","","","","","","","","","tideglusib","C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43","PMJIHLSCWIDGMD-UHFFFAOYSA-N","11313622",NA,"PDBC03181","","Present"
-"Tilmicosin","","","","","","","","","","","","","","","","","","","","","tilmicosin","CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC","JTSDBFGMPLKDCD-XVFHVFLVSA-N","5282521",NA,"PDBC03182","","Present"
-"Tiludronic Acid","","","","","","","","","","","","","","","","","","","","","tiludronate","C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)(O)O)Cl","DKJJVAGXPKPDRL-UHFFFAOYSA-N","60937",NA,"PDBC03183","","Present"
-"Tiotidine","","","","","","","","","","","","","","","","","","","","","tiotidine","CN=C(NCCSCC1=CSC(=N1)N=C(N)N)NC#N","YDDXVAXDYKBWDX-UHFFFAOYSA-N","50287",NA,"PDBC03184","","Present"
-"Tioxolone","","","","","","","","","","","","","","","","","","","","","tioxolone","C1=CC2=C(C=C1O)OC(=O)S2","SLYPOVJCSQHITR-UHFFFAOYSA-N","72139",NA,"PDBC03185","","Present"
-"Tipiracil","","","","","","","","","","","","","","","","","","","","","tipiracil","C1CC(=N)N(C1)CC2=C(C(=O)NC(=O)N2)Cl","QQHMKNYGKVVGCZ-UHFFFAOYSA-N","6323266",NA,"PDBC03186","","Present"
-"Tipranavir","","","","","","","","","","","","","","","","","","","","","tipranavir","CCCC1(CC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4","SUJUHGSWHZTSEU-FYBSXPHGSA-N","54682461",NA,"PDBC03187","","Present"
-"Tirapazamine","","","","","","","","","","","","","","","","","","","","Tirapazamine","tirapazamine","C1=CC=C2C(=C1)N(C(=N[N+]2=O)N)O","QENGMPDKFVBFSH-UHFFFAOYSA-N","54724399",NA,"PDBC03188","130181","Present"
-"Tofogliflozin","","","","","","","","","","","","","","","","","","","","","tofogliflozin","CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2","VWVKUNOPTJGDOB-BDHVOXNPSA-N","46908929",NA,"PDBC03189","","Present"
-"Torcetrapib","","","","","","","","","","","","","","","","","","","","","torcetrapib","CCC1CC(C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC","CMSGWTNRGKRWGS-NQIIRXRSSA-N","159325",NA,"PDBC03190","","Present"
-"Toremifene","","","","","","","","","","","","","","","","","","","","","toremifene","CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3","XFCLJVABOIYOMF-QPLCGJKRSA-N","3005573",NA,"PDBC03191","","Present"
-"Torin 1","","","","","","","","","","","","","","","","","","","","","torin-1","CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C=CC4=CN=C5C=CC(=CC5=C43)C6=CC7=CC=CC=C7N=C6)C(F)(F)F","AKCRNFFTGXBONI-UHFFFAOYSA-N","49836027",NA,"PDBC03192","","Present"
-"Tranilast","","","","","","","","","","","","","","","","","","","","","tranilast","COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC","NZHGWWWHIYHZNX-CSKARUKUSA-N","5282230",NA,"PDBC03193","","Present"
-"4-Hydroxycrotonic acid","","","","","","","","","","","","","","","","","","","","","trans-4-Hydroxycrotonic-acid","C(C=CC(=O)O)O","RMQJECWPWQIIPW-OWOJBTEDSA-N","6155526",NA,"PDBC03194","","Present"
-"Trequinsin","","","","","","","","","","","","","","","","","","","","","trequinsin","CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C","MCMSJVMUSBZUCN-UHFFFAOYSA-N","5537",NA,"PDBC03195","","Present"
-"Triamcinolone acetonide","","","","","","","","","","","","","","","","","","","","","triamcinolone-acetonide","CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C","YNDXUCZADRHECN-JNQJZLCISA-N","6436",NA,"PDBC03196","","Present"
-"Triclabendazole","","","","","","","","","","","","","","","","","","","","","triclabendazole","CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl","NQPDXQQQCQDHHW-UHFFFAOYSA-N","50248",NA,"PDBC03197","","Present"
-"Trimebutine","","","","","","","","","","","","","","","","","","","","","trimebutine","CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C","LORDFXWUHHSAQU-UHFFFAOYSA-N","5573",NA,"PDBC03198","","Present"
-"2-Amino-2-hydroxymethyl-propane-1,3-diol","","","","","","","","","","","","","","","","","","","","","trometamol","C(C(CO)(CO)N)O","LENZDBCJOHFCAS-UHFFFAOYSA-N","6503",NA,"PDBC03199","","Present"
-"Tropisetron","","","","","","","","","","","","","","","","","","","","","tropisetron","CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43","ZNRGQMMCGHDTEI-FUNVUKJBSA-N","656665",NA,"PDBC03200","","Present"
-"Trovafloxacin","","","","","","","","","","","","","","","","","","","","","trovafloxacin","C1C2C(C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F","WVPSKSLAZQPAKQ-SOSAQKQKSA-N","62959",NA,"PDBC03201","","Present"
-"Indolo[2,1-b]quinazoline-6,12-dione","","","","","","","","","","","","","","","","","","","","Tryptanthrin","tryptanthrin","C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2","VQQVWGVXDIPORV-UHFFFAOYSA-N","73549",NA,"PDBC03202","349447","Present"
-"Tucatinib","","","","","","","","","","","","","","","","","","","","NSC764581///NSC799335","tucatinib","CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5","SDEAXTCZPQIFQM-UHFFFAOYSA-N","51039094",NA,"PDBC03203","764581///799335","Present"
-"Malonoben","","","","","","","","","","","","","","","","","","","","malonoben","tyrphostin-A9","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N","MZOPWQKISXCCTP-UHFFFAOYSA-N","5614",NA,"PDBC03204","242557","Present"
-"6,7-Dimethoxy-2-phenylquinoxaline","","","","","","","","","","","","","","","","","","","","","tyrphostin-AG-1296","COC1=C(C=C2C(=C1)N=CC(=N2)C3=CC=CC=C3)OC","QNOXYUNHIGOWNY-UHFFFAOYSA-N","2049",NA,"PDBC03205","","Present"
-"Tyrphostin B48","","","","","","","","","","","","","","","","","","","AG-494","","tyrphostin-AG-494","C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N","HKHOVJYOELRGMV-XYOKQWHBSA-N","5328771",NA,"PDBC03206","","Present"
-"Tyrphostin A46","","","","","","","","","","","","","","","","","","","","NSC638077","tyrphostin-AG-99","C1=CC(=C(C=C1C=C(C#N)C(=O)N)O)O","USOXQZNJFMKTKJ-XVNBXDOJSA-N","5328768",NA,"PDBC03207","638077","Present"
-"Ubenimex","","","","","","","","","","","","","","","","","","","","Bestatin hydrochloride","ubenimex","CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O","VGGGPCQERPFHOB-RDBSUJKOSA-N","72172",NA,"PDBC03208","779839","Present"
-"Ulipristal","","","","","","","","","","","","","","","","","","","","","ulipristal","CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O","HKDLNTKNLJPAIY-WKWWZUSTSA-N","13559281",NA,"PDBC03209","","Present"
-"Uracil","","","","","","","","","","","","","","","","","","","","pyrod","uracil","C1=CNC(=O)NC1=O","ISAKRJDGNUQOIC-UHFFFAOYSA-N","1174",NA,"PDBC03210","3970","Present"
-"Uric acid","","","","","","","","","","","","","","","","","","","","","uric-acid","C12=C(NC(=O)N1)NC(=O)NC2=O","LEHOTFFKMJEONL-UHFFFAOYSA-N","1175",NA,"PDBC03211","","Present"
-"Uridine","","","","","","","","","","","","","","","","","","","","","uridine","C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","DRTQHJPVMGBUCF-XVFCMESISA-N","6029",NA,"PDBC03212","","Present"
-"Usniacin-(+)","","","","","","","","","","","","","","","","","","","","","usniacin-(+)","","","",NA,"PDBC03213","","Present"
-"Valnemulin","","","","","","","","","","","","","","","","","","","","","valnemulin","CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C","LLYYNOVSVPBRGV-MVNKZKPCSA-N","9850878",NA,"PDBC03214","","Present"
-"Vatalanib","","","","","","","","","","","","","","","","","Vatalanib (PTK787)","","Vatalanib","Vatalanib","vatalanib","","","151194",NA,"PDBC03215","772499","Present"
-"Verubulin","","","","","","","","","","","","","","","","","","","","Varbulin","verubulin","CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC","SNHCRNMVYDHVDT-UHFFFAOYSA-N","11414799",NA,"PDBC03216","758773","Present"
-"Vinblastine","","","","","","","","","","","","","","","","","","","","","vinblastine","CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O","JXLYSJRDGCGARV-CFWMRBGOSA-N","13342",NA,"PDBC03217","","Present"
-"Vindesine","","","","","","","","","","","","","","","","","","","","","vindesine","CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O","HHJUWIANJFBDHT-KOTLKJBCSA-N","40839",NA,"PDBC03218","","Present"
-"Javlor","","","","","","","","","","","","","","","","","","","","","vinflunine","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CC7CC(CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C","NMDYYWFGPIMTKO-HBVLKOHWSA-N","6918295",NA,"PDBC03219","","Present"
-"Volasertib","","","","","","","","","","","","","","","","","Volasertib (BI-6727)","Volasertib (plk1 inh)*(BL6727)","","Volasertib","volasertib","","","10461508",NA,"PDBC03220","800965///757149","Present"
-"Vosaroxin","","","","","","","","","","","","","","","","","","","","Voreloxin","voreloxin","CNC1CN(CC1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O","XZAFZXJXZHRNAQ-STQMWFEESA-N","9952884",NA,"PDBC03221","760764","Present"
-"Voxtalisib","","","","","","","","","","","","","","","","","","","","SAR-245409","voxtalisib","CCN1C2=NC(=NC(=C2C=C(C1=O)C3=CC=NN3)C)N","RGHYDLZMTYDBDT-UHFFFAOYSA-N","16123056",NA,"PDBC03222","791226","Present"
-"Warfarin","","","","","","","","","","","","","","","","","","","","","warfarin","CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O","PJVWKTKQMONHTI-UHFFFAOYSA-N","54678486",NA,"PDBC03223","","Present"
-"Xanomeline","","","","","","","","","","","","","","","","","","","","","xanomeline","CCCCCCOC1=NSN=C1C2=CCCN(C2)C","JOLJIIDDOBNFHW-UHFFFAOYSA-N","60809",NA,"PDBC03224","","Present"
-"Xilobam","","","","","","","","","","","","","","","","","","","","","xilobam","CC1=C(C(=CC=C1)C)NC(=O)N=C2CCCN2C","PAXRPWSXCPTPCA-UHFFFAOYSA-N","39689",NA,"PDBC03225","","Present"
-"Zaldaride","","","","","","","","","","","","","","","","","","","","","zaldaride","CC1(C2=CC=CN2C3=CC=CC=C3CO1)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O","HTGCJAAPDHZCHL-UHFFFAOYSA-N","65909",NA,"PDBC03226","","Present"
-"Zaleplon","","","","","","","","","","","","","","","","","","","","","zaleplon","CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C","HUNXMJYCHXQEGX-UHFFFAOYSA-N","5719",NA,"PDBC03227","","Present"
-"Ziprasidone","","","","","","","","","","","","","","","","","","","","","ziprasidone","C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54","MVWVFYHBGMAFLY-UHFFFAOYSA-N","60854",NA,"PDBC03228","","Present"
-"Zolantidine","","","","","","","","","","","","","","","","","","","","","zolantidine","C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC4=CC=CC=C4S3","KUBONGDXTUOOLM-UHFFFAOYSA-N","91769",NA,"PDBC03229","","Present"
-"Zolmitriptan","","","","","","","","","","","","","","","","","","","","","zolmitriptan","CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3","ULSDMUVEXKOYBU-ZDUSSCGKSA-N","60857",NA,"PDBC03230","","Present"
-"""""Ether-20""""","","","","","","","","","","","","","","","","","","","","""""Ether-20""""","","","","",NA,"PDBC03231","676532","Present"
-"((((2-(Hydroxy(oxido)amino)-4,5-dimethoxybenzyl)oxy)carbonyl)anilino)acetic acid","","","","","","","","","","","","","","","","","","","","((((2-(Hydroxy(oxido)amino)-4,5-dimethoxybenzyl)oxy)carbonyl)anilino)acetic acid","","COC1=C(C=C(C(=C1)COC(=O)N(CC(=O)O)C2=CC=CC=C2)[N+](=O)[O-])OC","JDYVLIMGUYDXMH-UHFFFAOYSA-N","375630",NA,"PDBC03232","655452","Present"
-"((((4-Cyanophenyl)imino)(1-naphthylamino)methyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","((((4-Cyanophenyl)imino)(1-naphthylamino)methyl)amino)acetic acid","","C1=CC=C2C(=C1)C=CC=C2NC(=NCC(=O)O)NC3=CC=C(C=C3)C#N","ZIBNPJVIVGAAMD-UHFFFAOYSA-N","378568",NA,"PDBC03233","661208","Present"
-"((((4-Cyanophenyl)imino)(2-naphthylamino)methyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","((((4-Cyanophenyl)imino)(2-naphthylamino)methyl)amino)acetic acid","","C1=CC=C2C=C(C=CC2=C1)NC(=NCC(=O)O)NC3=CC=C(C=C3)C#N","FRSPBOBJXMHBDQ-UHFFFAOYSA-N","378574",NA,"PDBC03234","661214","Present"
-"(((1-(Benzylthio)cyclopentyl)thio)methyl)benzene","","","","","","","","","","","","","","","","","","","","(((1-(Benzylthio)cyclopentyl)thio)methyl)benzene","","C1CCC(C1)(SCC2=CC=CC=C2)SCC3=CC=CC=C3","PQHMYYKJZLCSJD-UHFFFAOYSA-N","379229",NA,"PDBC03235","663644","Present"
-"(((2-Chloro-2-(1,2,2-trichlorovinyl)cyclopropyl)methoxy)methyl)benzene","","","","","","","","","","","","","","","","","","","","(((2-Chloro-2-(1,2,2-trichlorovinyl)cyclopropyl)methoxy)methyl)benzene","","C1C(C1(C(=C(Cl)Cl)Cl)Cl)COCC2=CC=CC=C2","WLHDJGPWRKGCGB-UHFFFAOYSA-N","370751",NA,"PDBC03236","644274","Present"
-"(((3,3-Bis(benzylthio)propyl)thio)methyl)benzene","","","","","","","","","","","","","","","","","","","","(((3,3-Bis(benzylthio)propyl)thio)methyl)benzene","","C1=CC=C(C=C1)CSCCC(SCC2=CC=CC=C2)SCC3=CC=CC=C3","NOYHOWXRNVFLBW-UHFFFAOYSA-N","377596",NA,"PDBC03237","659170","Present"
-"(((4-((Iodoacetyl)amino)phenyl)sulfonyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","(((4-((Iodoacetyl)amino)phenyl)sulfonyl)amino)acetic acid","","C1=CC(=CC=C1NC(=O)CI)S(=O)(=O)NCC(=O)O","SQVMGKNIRPKOGA-UHFFFAOYSA-N","362835",NA,"PDBC03238","627206","Present"
-"(((4-(Benzylamino)phenyl)sulfonyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","(((4-(Benzylamino)phenyl)sulfonyl)amino)acetic acid","","C1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O","JMLOZBITCCBZRH-UHFFFAOYSA-N","362689",NA,"PDBC03239","626928","Present"
-"(((5-(4-Isopropylphenyl)-3-methyl-2-cyclohexen-1-ylidene)amino)oxy)acetic acid","","","","","","","","","","","","","","","","","","","","(((5-(4-Isopropylphenyl)-3-methyl-2-cyclohexen-1-ylidene)amino)oxy)acetic acid","","CC1=CC(=NOCC(=O)O)CC(C1)C2=CC=C(C=C2)C(C)C","YGNVPFIQWFVWQL-HTXNQAPBSA-N","5351431",NA,"PDBC03240","680506","Present"
-"(((Cyclohexylamino)carbothioyl)hydrazono)acetic acid","","","","","","","","","","","","","","","","","","","","(2E)-2-(cyclohexylcarbamothioylhydrazono)acetic acid","","C1CCC(CC1)NC(=S)NN=CC(=O)O","GBVAPSKLJPLCSD-UXBLZVDNSA-N","9571645",NA,"PDBC03241","694516","Present"
-"(((Methylamino)carbonyl)(2-(methylamino)-2-oxoethyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","(((Methylamino)carbonyl)(2-(methylamino)-2-oxoethyl)amino)acetic acid","","CNC(=O)CN(CC(=O)O)C(=O)NC","XMFGVCKMIYIRNP-UHFFFAOYSA-N","373588",NA,"PDBC03242","650041","Present"
-"((1,6,6-Tris(phenylthio)hexyl)thio)benzene","","","","","","","","","","","","","","","","","","","","((1,6,6-Tris(phenylthio)hexyl)thio)benzene","","C1=CC=C(C=C1)SC(CCCCC(SC2=CC=CC=C2)SC3=CC=CC=C3)SC4=CC=CC=C4","PGHLNEUCLBTEGA-UHFFFAOYSA-N","361789",NA,"PDBC03243","625061","Present"
-"((1-(Diethoxymethyl)propyl)seleno)benzene","","","","","","","","","","","","","","","","","","","","((1-(Diethoxymethyl)propyl)seleno)benzene","","CCC(C(OCC)OCC)[Se]C1=CC=CC=C1","GLSPLBKTSFKIMR-UHFFFAOYSA-N","371756",NA,"PDBC03244","646199","Present"
-"((1-(Phenylsulfonyl)butyl)sulfonyl)benzene","","","","","","","","","","","","","","","","","","","","((1-(Phenylsulfonyl)butyl)sulfonyl)benzene","","CCCC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2","HTYGKSFOCUSELO-UHFFFAOYSA-N","363330",NA,"PDBC03245","628187","Present"
-"((1-(Phenylthio)cyclopentyl)thio)benzene","","","","","","","","","","","","","","","","","","","","((1-(Phenylthio)cyclopentyl)thio)benzene","","C1CCC(C1)(SC2=CC=CC=C2)SC3=CC=CC=C3","OBNWGSMVMSYZDT-UHFFFAOYSA-N","361769",NA,"PDBC03246","625035","Present"
-"((1-Benzyl-1H-benzimidazol-2-yl)hydrazono)(4-methoxyphenyl)acetic acid","","","","","","","","","","","","","","","","","","","","((1-Benzyl-1H-benzimidazol-2-yl)hydrazono)(4-methoxyphenyl)acetic acid","","COC1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)C(=O)O","NUYWXJHDVSRKJI-DAFNUICNSA-N","6297144",NA,"PDBC03247","679198","Present"
-"((1-Benzyl-1H-pyrrol-3-yl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","((1-Benzyl-1H-pyrrol-3-yl)thio)acetic acid","","C1=CC=C(C=C1)CN2C=CC(=C2)SCC(=O)O","BDTDUMYBCTVDNO-UHFFFAOYSA-N","286555",NA,"PDBC03248","145014","Present"
-"((1-Phenylethylidene)amino)acetic acid","","","","","","","","","","","","","","","","","","","","((1-Phenylethylidene)amino)acetic acid","","CC(=NCC(=O)O)C1=CC=CC=C1","HOWNYMIEBNTOBI-UHFFFAOYSA-N","276779",NA,"PDBC03249","125214","Present"
-"((1H-Indol-3-ylmethyl)(methyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","J3.641.548G","","CN(CC1=CNC2=CC=CC=C21)CC(=O)O","FVFABLMIDGFSCG-UHFFFAOYSA-N","262701",NA,"PDBC03250","96606","Present"
-"((2,2-Bis(methylthio)butoxy)(methyl)amino)benzene","","","","","","","","","","","","","","","","","","","","((2,2-Bis(methylthio)butoxy)(methyl)amino)benzene","","CCC(CON(C)C1=CC=CC=C1)(SC)SC","CUENWTJXISDISG-UHFFFAOYSA-N","392958",NA,"PDBC03251","694172","Present"
-"((2,4,6-Triamino-1-oxido-1,2-dihydro-5-pyrimidinyl)amino)methanol","","","","","","","","","","","","","","","","","","","","((2,4,6-Triamino-1-oxido-1,2-dihydro-5-pyrimidinyl)amino)methanol","","C(NC1=C(N=C([N+](=C1N)[O-])N)N)O","AYJGVWFCMWLMHL-UHFFFAOYSA-N","135451591",NA,"PDBC03252","116200","Present"
-"((2-(((((1-(2-((2-((Tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)-2-pyrrolidinyl)carbonyl)amino)acetyl)amino)-3-methylbutanoyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","2-[[3-Methyl-2-[[2-[[1-[2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]acetic acid","","CC(C)C(C(=O)NCC(=O)O)NC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C","DEFDYMQCMVQUGN-UHFFFAOYSA-N","381423",NA,"PDBC03253","668011","Present"
-"((2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","((2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl)thio)acetic acid","","C1CC2=C(C=CC3=C2C1=CC=C3)NC(=O)CSCC(=O)O","IFCZOPLMDAGMMV-UHFFFAOYSA-N","387860",NA,"PDBC03254","682071","Present"
-"((2-(1-Cyclopenten-1-yloxy)-2-ethoxy-1-methylethyl)seleno)benzene","","","","","","","","","","","","","","","","","","","","((2-(1-Cyclopenten-1-yloxy)-2-ethoxy-1-methylethyl)seleno)benzene","","CCOC(C(C)[Se]C1=CC=CC=C1)OC2=CCCC2","MIRPPMPAFXJOPI-UHFFFAOYSA-N","371753",NA,"PDBC03255","646196","Present"
-"((2-(2-Ethoxy-2-oxoethyl)-1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzisothiazol-4-yl)amino)(oxo)acetic acid","","","","","","","","","","","","","","","","","","","","2-[[2-(2-Ethoxy-2-oxo-ethyl)-1,1,3-trioxo-1,2-benzothiazol-4-yl]amino]-2-oxo-acetic acid","","CCOC(=O)CN1C(=O)C2=C(C=CC=C2S1(=O)=O)NC(=O)C(=O)O","HGLWVSUTSXWNHW-UHFFFAOYSA-N","394320",NA,"PDBC03256","697689","Present"
-"((2-(2-Ethoxy-2-oxoethyl)-1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzisothiazol-6-yl)amino)(oxo)acetic acid","","","","","","","","","","","","","","","","","","","","2-[[2-(2-Ethoxy-2-oxo-ethyl)-1,1,3-trioxo-1,2-benzothiazol-6-yl]amino]-2-oxo-acetic acid","","CCOC(=O)CN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)NC(=O)C(=O)O","MMUSFSVEJDENGI-UHFFFAOYSA-N","394319",NA,"PDBC03257","697688","Present"
-"((2-(3-Ethoxy-3-oxopropyl)-1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzisothiazol-4-yl)amino)(oxo)acetic acid","","","","","","","","","","","","","","","","","","","","2-[[2-(3-Ethoxy-3-oxo-propyl)-1,1,3-trioxo-1,2-benzothiazol-4-yl]amino]-2-oxo-acetic acid","","CCOC(=O)CCN1C(=O)C2=C(C=CC=C2S1(=O)=O)NC(=O)C(=O)O","FUBIMEAKXWRPEJ-UHFFFAOYSA-N","394321",NA,"PDBC03258","697690","Present"
-"((2-Amino-3-(5-hydroxy-2-pyridinyl)propanoyl)amino)(phenyl)acetic acid","","","","","","","","","","","","","","","","","","","","((2-Amino-3-(5-hydroxy-2-pyridinyl)propanoyl)amino)(phenyl)acetic acid","","C1=CC=C(C=C1)C(C(=O)O)NC(=O)C(CC2=NC=C(C=C2)O)N","ZOTHKOWIVRGSGV-UHFFFAOYSA-N","385343",NA,"PDBC03259","676461","Present"
-"((2-Oxocyclohexyl)methyl)trimethylammonium iodide","","","","","","","","","","","","","","","","","","","","NIOSH/BR9826000","","C[N+](C)(C)CC1CCCCC1=O.[I-]","PMMPFMDOKGDFLC-UHFFFAOYSA-M","359483",NA,"PDBC03260","620462","Present"
-"((3,4,5-Trimethoxyphenyl)hydrazono)acetonitrile","","","","","","","","","","","","","","","","","","","","((3,4,5-Trimethoxyphenyl)hydrazono)acetonitrile","","COC1=CC(=CC(=C1OC)OC)NN=CC#N","XIFOCWFVNXGFGF-WLRTZDKTSA-N","9555950",NA,"PDBC03261","663616","Present"
-"((3-(2-Aminoethyl)-1H-indol-5-yl)oxy)(oxo)acetic acid","","","","","","","","","","","","","","","","","","","","((3-(2-Aminoethyl)-1H-indol-5-yl)oxy)(oxo)acetic acid","","C1=CC2=C(C=C1OC(=O)C(=O)O)C(=CN2)CCN","YJKHKDHQOGQYPB-UHFFFAOYSA-N","271694",NA,"PDBC03262","115625","Present"
-"((4,4-Bis(phenylthio)butyl)thio)benzene","","","","","","","","","","","","","","","","","","","","((4,4-Bis(phenylthio)butyl)thio)benzene","","C1=CC=C(C=C1)SCCCC(SC2=CC=CC=C2)SC3=CC=CC=C3","WTISTCGQFVAIAX-UHFFFAOYSA-N","361779",NA,"PDBC03263","625046","Present"
-"((4,5-Diamino-6-hydroxy-2-pyrimidinyl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","((4,5-Diamino-6-hydroxy-2-pyrimidinyl)thio)acetic acid","","C(C(=O)O)SC1=NC(=C(C(=O)N1)N)N","ZAGRWEOGHJROGH-UHFFFAOYSA-N","135403619",NA,"PDBC03264","339127","Present"
-"((4-(((Carboxy(phenyl)methyl)thio)carbothioyl)benzothioyl)thio)(phenyl)acetic acid","","","","","","","","","","","","","","","","","","","","((4-(((Carboxy(phenyl)methyl)thio)carbothioyl)benzothioyl)thio)(phenyl)acetic acid","","C1=CC=C(C=C1)C(C(=O)O)SC(=S)C2=CC=C(C=C2)C(=S)SC(C3=CC=CC=C3)C(=O)O","NILKISQEGXTVHI-UHFFFAOYSA-N","364076",NA,"PDBC03265","629715","Present"
-"((4-((6-Iodo-2-(2-thienyl)quinazolin-4-yl) amino)phenyl)sulfonyl)-2,5-thiazolylamine","","","","","","","","","","","","","","","","","","","","((4-((6-Iodo-2-(2-thienyl)quinazolin-4-yl) amino)phenyl)...","","C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=N2)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","ZHTREVGFEBGGPT-UHFFFAOYSA-N","404801",NA,"PDBC03266","721319","Present"
-"((4-Arsonobenzoyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-12639","","C1=CC(=CC=C1C(=O)NCC(=O)O)[As](=O)(O)O","GINTWCWSADWWJZ-UHFFFAOYSA-N","224270",NA,"PDBC03267","12639","Present"
-"((4-Isothiocyanatophenyl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","2-(4-Isothiocyanatophenyl)sulfanylacetic acid","","C1=CC(=CC=C1N=C=S)SCC(=O)O","HLGOGEXQKKWISO-UHFFFAOYSA-N","345648",NA,"PDBC03268","403376","Present"
-"((4-Methoxy-7-methyl-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid","","","","","","","","","","","","","","","","","","","","((4-Methoxy-7-methyl-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid","","CC1CCC2=C(C=CC(=C2C1=O)OCC(=O)O)OC","GMXSBODIWUQWRV-UHFFFAOYSA-N","361673",NA,"PDBC03269","624891","Present"
-"((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)(phenyl)acetic acid","","","","","","","","","","","","","","","","","","","","((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)(phenyl)acetic acid","","COC1=C2CCCC(=O)C2=C(C=C1)OC(C3=CC=CC=C3)C(=O)O","PNTGKJBORNEWEM-UHFFFAOYSA-N","361678",NA,"PDBC03270","624896","Present"
-"((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid","","","","","","","","","","","","","","","","","","","","((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid","","COC1=C2CCCC(=O)C2=C(C=C1)OCC(=O)O","GSTKUKVZSYDJND-UHFFFAOYSA-N","361617",NA,"PDBC03271","624802","Present"
-"((4-Methylphenyl)sulfonyl)(3-(1H-pyrazol-1-yl)-2-quinoxalinyl)acetonitrile","","","","","","","","","","","","","","","","","","","","((4-Methylphenyl)sulfonyl)(3-(1H-pyrazol-1-yl)-2-quinoxalinyl)acetonitrile","","CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4C=CC=N4","UOFNOEFFNCNADQ-UHFFFAOYSA-N","375326",NA,"PDBC03272","654900","Present"
-"((5-((2-Methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","((5-((2-Methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid","","COC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O","NKNXHWCBSIRIPQ-UHFFFAOYSA-N","373872",NA,"PDBC03273","650835","Present"
-"((5-(2-Hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","((5-(2-Hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid","","C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)O)O","ORCNSSUJAAOUTO-UHFFFAOYSA-N","366164",NA,"PDBC03274","634491","Present"
-"((5-(2-Phenylvinyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","2-[[5-[(E)-styryl]-4H-1,2,4-triazol-3-yl]sulfanyl]acetic acid","","C1=CC=C(C=C1)C=CC2=NC(=NN2)SCC(=O)O","NOPYIUVWDWIAIV-VOTSOKGWSA-N","5388284",NA,"PDBC03275","634498","Present"
-"((5-(4-Hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","((5-(4-Hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid","","C1=CC(=CC=C1C2=NC(=NN2)SCC(=O)O)O","POWPHPSSZCRRQZ-UHFFFAOYSA-N","362208",NA,"PDBC03276","625809","Present"
-"((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)acetic acid","","C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)O","QEDGMCURIBDFME-UHFFFAOYSA-N","366172",NA,"PDBC03277","634499","Present"
-"((5-Oxo-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-6-yl)oxy)acetic acid","","","","","","","","","","","","","","","","","","","","2-[(7-Oxo-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-9-yl)oxy]acetic acid","","C1CC(=O)C2=C(C=CC3=C2C1CO3)OCC(=O)O","MOHAHZFZIGKDJX-UHFFFAOYSA-N","361679",NA,"PDBC03278","624897","Present"
-"((5-Pentadecyl-4H-1,2,4-triazol-3-yl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","((5-Pentadecyl-4H-1,2,4-triazol-3-yl)thio)acetic acid","","CCCCCCCCCCCCCCCC1=NC(=NN1)SCC(=O)O","VYKAKOWLDHDDHV-UHFFFAOYSA-N","366174",NA,"PDBC03279","634501","Present"
-"((6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)acetonitrile","","","","","","","","","","","","","","","","","","","","((6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)acetonitrile","","C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SCC#N","MZLQMOFYMVOCJX-UHFFFAOYSA-N","383054",NA,"PDBC03280","671098","Present"
-"((7-(1,4-Dimethoxy-3-methyl-2-naphthyl)-5-methyl-5-heptenyl)oxy)(triisopropyl)silane","","","","","","","","","","","","","","","","","","","","((7-(1,4-Dimethoxy-3-methyl-2-naphthyl)-5-methyl-5-heptenyl)oxy)(triisopropyl)silane","","CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCCCO[Si](C(C)C)(C(C)C)C(C)C)OC)OC","CNMWDIWBIUHHAI-HKOYGPOVSA-N","5469376",NA,"PDBC03281","687149","Present"
-"((7-Ethyl-4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid","","","","","","","","","","","","","","","","","","","","((7-Ethyl-4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid","","CCC1CCC2=C(C=CC(=C2C1=O)OCC(=O)O)OC","JNPDNMQAHDWJFN-UHFFFAOYSA-N","361604",NA,"PDBC03282","624789","Present"
-"((7-Isopropyl-4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid","","","","","","","","","","","","","","","","","","","","((7-Isopropyl-4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid","","CC(C)C1CCC2=C(C=CC(=C2C1=O)OCC(=O)O)OC","SFTQJYSXCKWAOB-UHFFFAOYSA-N","361677",NA,"PDBC03283","624895","Present"
-"((9-Acridinylmethyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","((9-Acridinylmethyl)amino)acetic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNCC(=O)O","JLWPUIDGVMRIRM-UHFFFAOYSA-N","363154",NA,"PDBC03284","627740","Present"
-"((Allyloxy)imino)(phenyl)methyl 4-(hydroxy(oxido)amino)benzoate","","","","","","","","","","","","","","","","","","","","((Allyloxy)imino)(phenyl)methyl 4-(hydroxy(oxido)amino)benzoate","","C=CCON=C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","GHYPBEZUYPZTPM-VLGSPTGOSA-N","5826365",NA,"PDBC03285","639226","Present"
-"((Cyano(imino)methyl)(ethyl)amino)benzene","","","","","","","","","","","","","","","","","","","","1-cyano-N-ethyl-N-phenyl-formamidine","","CCN(C1=CC=CC=C1)C(=N)C#N","ZACZKQFDGFCPLJ-UHFFFAOYSA-N","369713",NA,"PDBC03286","641766","Present"
-"((Cyano(imino)methyl)amino)benzene","","","","","","","","","","","","","","","","","","","","1-cyano-N-phenyl-formamidine","","C1=CC=C(C=C1)N=C(C#N)N","DHKOMXKTFDMYGR-UHFFFAOYSA-N","369710",NA,"PDBC03287","641763","Present"
-"((Cyclobutylidene(phenylthio)methyl)thio)benzene","","","","","","","","","","","","","","","","","","","","((Cyclobutylidene(phenylthio)methyl)thio)benzene","","C1CC(=C(SC2=CC=CC=C2)SC3=CC=CC=C3)C1","BJOXMMJSHKYUMP-UHFFFAOYSA-N","361770",NA,"PDBC03288","625036","Present"
-"((Imino(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","((Imino(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)thio)acetic acid","","CN1C2=C(N=C1C(=N)SCC(=O)O)N(C(=O)N(C2=O)C)C","YGNWCFFTUCWYGM-UHFFFAOYSA-N","247616",NA,"PDBC03289","62586","Present"
-"((Methoxy(phenyl)acetyl)oxy)(trimethyl)germane","","","","","","","","","","","","","","","","","","","","((Methoxy(phenyl)acetyl)oxy)(trimethyl)germane","","COC(C1=CC=CC=C1)C(=O)O[Ge](C)(C)C","ZQVGVEBYJRFBRK-UHFFFAOYSA-N","16683235",NA,"PDBC03290","645577","Present"
-"((Plusmn))-Zanubrutinib","","","","","","","","","","","","","","","","","","","","zanubrutinib","","C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N","RNOAOAWBMHREKO-UHFFFAOYSA-N","135905454",NA,"PDBC03291","799318","Present"
-"((p-Bromophenyl)azo)malononitrile","","","","","","","","","","","","","","","","","","","","NSC28430","","C1=CC(=CC=C1N=NC(C#N)C#N)Br","CIFOXOQVWXRACF-UHFFFAOYSA-N","21650",NA,"PDBC03292","28430","Present"
-"(+)-(1S,1'S,5'R)-1-(1'-Hydroxy-5'-isopropenyl-2'-methyl-2'-cyclohexenyl)-5-isopropenyl-2-methyl-2-cyclohexenol","","","","","","","","","","","","","","","","","","","","(+)-(1S,5R,1'S,5'R)-1-(1'-Hydroxy-5'-isopropenyl-2'-meth...","","CC1=CCC(CC1(C2(CC(CC=C2C)C(=C)C)O)O)C(=C)C","WPQAOGZTDKTBHI-OAHAVBBTSA-N","363982",NA,"PDBC03293","629602","Present"
-"(+)-(6S)-endo-Acetoxycamphorquinone","","","","","","","","","","","","","","","","","","","","(+)-(6S)-endo-Acetoxycamphorquinone","","CC(=O)OC1CC2C(=O)C(=O)C1(C2(C)C)C","IBRVHONNJUWZOO-UHFFFAOYSA-N","377216",NA,"PDBC03294","658452","Present"
-"(+)-3,17beta-Trihydroxyestra-1,3,5(10)-triene-3-acetate-11,17-dinitrate ester","","","","","","","","","","","","","","","","","","","","(+)-3,11.beta.,17.beta.-Trihydroxyestra-1,3,5(10)-triene...","","CC(=O)OC1=CC2=C(C=C1)C3C(CC2)C4CCC(C4(CC3O[N+](=O)[O-])C)O[N+](=O)[O-]","JAKAWTKVXSESHC-SZMDNOMZSA-N","6712303",NA,"PDBC03295","666570","Present"
-"(+)-6'-Methyl-carba-thymidine","","","","","","","","","","","","","","","","","","","","(+)-6'-Methyl-carba-thymidine","","CC1C(CC(C1CO)O)N2C=C(C(=O)NC2=O)C","APXGKXVNVNIUMW-UHFFFAOYSA-N","370698",NA,"PDBC03296","644195","Present"
-"(+)-8-Epi-Altholactone","","","","","","","","","","","","","","","","","","","","goniothalenol","","C1=CC=C(C=C1)C2C(C3C(O2)C=CC(=O)O3)O","ZKIRVBNLJKGIEM-UHFFFAOYSA-N","343590",NA,"PDBC03297","383482","Present"
-"(+)-Abscisic acid","","","","","","","","","","","","","","","","","","","","abscisin ii","","CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C","JLIDBLDQVAYHNE-WEYXYWBQSA-N","5375200",NA,"PDBC03298","148832","Present"
-"(+)-Debromoflustramine B","","","","","","","","","","","","","","","","","","","","NSC676585","","CC(=CCC12CCN(C1N(C3=CC=CC=C23)CC=C(C)C)C)C","NUWYFFDZPIGJJO-LEWJYISDSA-N","385410",NA,"PDBC03299","676585","Present"
-"(+)-Eremantholide A","","","","","","","","","","","","","","","","","","","","eremantholide a","","CC1=CC2C3C(CC4(C(=O)C=C1O4)C)OC(C3(C(=O)O2)C)(C(C)C)O","LOILTCBRRAVDAF-POHAHGRESA-N","5478093",NA,"PDBC03300","380720","Present"
-"(+)-Gallocatechin","","","","","","","","","","","","","","","","","","","","Gallocatechin","","C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O","XMOCLSLCDHWDHP-SWLSCSKDSA-N","65084",NA,"PDBC03301","674038","Present"
-"(+)-Hopeaphenol","","","","","","","","","","","","","","","","","","","","Hopeaphenol","","C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O","YQQUILZPDYJDQJ-BQKWOQCQSA-N","6712231",NA,"PDBC03302","661748","Present"
-"(+)-Isoalantolactone;Isohelenin","","","","","","","","","","","","","","","","","","","","Isoalantolactone","","CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C","CVUANYCQTOGILD-CDKPOMLUSA-N","353376",NA,"PDBC03303","601353","Present"
-"(+)-Jervinone","","","","","","","","","","","","","","","","","","","","(+)-Jervinone","","CC1CC2C(C(C3(O2)CCC4C5CCC6=CC(=O)CCC6(C5C(=O)C4=C3C)C)C)NC1","KLTPAUQDYRELPI-QCZICOGXSA-N","6712079",NA,"PDBC03304","655418","Present"
-"(+)-Membrenone A","","","","","","","","","","","","","","","","","","","","(+)-membrenone a","","CCC1=C(C(=O)C(C(O1)C(C)C(C(C)C(=O)CC)OC(=O)C(C)CC)C)C","DMAHVVWRJAEYPR-JAEQVKMHSA-N","45028039",NA,"PDBC03305","740824","Present"
-"(+)-Membrenone B","","","","","","","","","","","","","","","","","","","","(+)-membrenone b","","CCC1=C(C(=O)C(C(O1)C(C)C(C(C)C(=O)CC)OC(=O)CC)C)C","UBXYYFKDNAPTAL-DNFDJJHKSA-N","45028040",NA,"PDBC03306","740825","Present"
-"(+)-Simalikalactone D","","","","","","","","","","","","","","","","","","","","Simalikalactone D","","CCC(C)C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C","OKIKYYZNNZCZRX-QIMXXMOASA-N","6711208",NA,"PDBC03307","266494","Present"
-"(+)-Totarol","","","","","","","","","","","","","","","","","","","","Totarol","","CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C)C)O","ZRVDANDJSTYELM-UHFFFAOYSA-N","326995",NA,"PDBC03308","299936","Present"
-"(+)-Validoxylamine-A","","","","","","","","","","","","","","","","","","","","(+)-Validoxylamine-A","","C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)O)CO","YCJYNBLLJHFIIW-UHFFFAOYSA-N","161975",NA,"PDBC03309","626095","Present"
-"(+)-alpha-Viniferin","","","","","","","","","","","","","","","","","","","","(+)-.alpha.-Viniferin","","C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O","KUTVNHOAKHJJFL-UHFFFAOYSA-N","375682",NA,"PDBC03310","655524","Present"
-"(+)-trans-4,2-Dimethyl-1,3-dioxolan","","","","","","","","","","","","","","","","","","","","(+)-trans-4,5-Bis[hydroxycarbonyl]-2,2-dimethyl-1,3-diox...","","CC1(OC(C(O1)C(=O)O)C(=O)O)C","ZJRYLTPWHABKIT-IMJSIDKUSA-N","6712407",NA,"PDBC03311","680767","Present"
-"(+)7,8-Dihydrocalanolide B","","","","","","","","","","","","","","","","","","","","(+)7,8-Dihydrocalanolide B","","CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2C(C(C(O4)C)C)O","YPUTYHJWWMYIGF-SEDUGSJDSA-N","461797",NA,"PDBC03312","682399","Present"
-"(+-)-12(R),6,12,13-Tetrahydro-2,3-dimethoxy-6,12-dim ethyl-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline.","","","","","","","","","","","","","","","","","","","","(+-)-12(R),13(R)-5,6,12,13-Tetrahydro-2,3-dimethoxy-6,12...","","CC12C(C3=CC4=C(C=C3C1=O)OCO4)N(C(=O)C5=CC(=C(C=C25)OC)OC)C","YDHMVJMARJXLAH-WIYYLYMNSA-N","44402657",NA,"PDBC03313","734112","Present"
-"(+-)-3-Bromomethyl-2,3-dichloro-7-methyl-1-octene","","","","","","","","","","","","","","","","","","","","(+-)-3-Bromomethyl-2,3-dichloro-7-methyl-1-octene","","CC(C)CCCC(CBr)(C(=C)Cl)Cl","GLBMCWLLZFUFDL-UHFFFAOYSA-N","3847619",NA,"PDBC03314","673500","Present"
-"(+-)-3-Phenyl-4-oxo-6-hydroxy-3a,6,6a-tetrahydro-pyrrolo[3,4-d]isoxazole","","","","","","","","","","","","","","","","","","","","(+-)-3-Phenyl-4-oxo-6-hydroxy-3a,4,6,6a-tetrahydro-pyrro...","","C1=CC=C(C=C1)C2=NOC3C2C(=O)NC3O","KSXQFTBQVDROHD-NMLBEHRDSA-N","6711601",NA,"PDBC03315","632225","Present"
-"(+-)-9-(2-Carboxyethyl)dihydrozeatin","","","","","","","","","","","","","","","","","","","","(+-)-9-(2-Carboxyethyl)dihydrozeatin","","CC(CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)O)CO","DULGKDUIOOHICL-UHFFFAOYSA-N","383750",NA,"PDBC03316","672193","Present"
-"(+-)-9-(2-Cyanoethyl)dihydrozeatin","","","","","","","","","","","","","","","","","","","","(+-)-9-(2-Cyanoethyl)dihydrozeatin","","CC(CCNC1=C2C(=NC=N1)N(C=N2)CCC#N)CO","XLDWNCKIKPQUTR-UHFFFAOYSA-N","383748",NA,"PDBC03317","672191","Present"
-"(+-)-Carbovir","","","","","","","","","","","","","","","","","","","","CARBOVIR","","C1C(C=CC1N2C=NC3=C2N=C(NC3=O)N)CO","XSSYCIGJYCVRRK-UHFFFAOYSA-N","135403630",NA,"PDBC03318","614846","Present"
-"(+-)-Endo-7-Ethyl-3-(2-hydroxyphaenylsulfonyl)-5-methyl-6,8-dioxabicyclo[3.2.1]octan","","","","","","","","","","","","","","","","","","","","(+-)-endo-7-Ethyl-3-(2-hydroxyphaenylsulfonyl)-5-methyl-...","","CCC1C2CC(CC(O2)(O1)C)S(=O)(=O)C3=CC=CC=C3O","XLGHHQXPPCKHOR-CSAFNITMSA-N","366364",NA,"PDBC03319","634740","Present"
-"(+-)-Endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-bicyclo[3.2.1]octan","","","","","","","","","","","","","","","","","","","","(+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-...","","CCC1C2CC(CC(O2)(O1)C)S(=O)(=O)C3=CC=CC=C3","KYUURSSCXNRXMX-IBLUKRHDSA-N","366363",NA,"PDBC03320","634739","Present"
-"(+-)-Mamanine","","","","","","","","","","","","","","","","","","","","mamanine","","C1CCN2CC(CC(C2C1)CO)C3=CC=CC(=O)N3","JAUFYQKXSPWZRV-UHFFFAOYSA-N","323274",NA,"PDBC03321","282172","Present"
-"(+-)-alpha,beta-Dimethylphenethylamine hydrochloride","","","","","","","","","","","","","","","","","","","","LS-103360","","CC(C1=CC=CC=C1)C(C)N.Cl","RNIYCOBJKXZYOU-UHFFFAOYSA-N","24841298",NA,"PDBC03322","37496","Present"
-"(+-)-trans-2-[4-(2-Chlorocyclopropyl)-phenoxy]-2-methylpropanoic acid","","","","","","","","","","","","","","","","","","","","(+-)-trans-2-[4-(2-Chlorocyclopropyl)-phenoxy]-2-methylp...","","CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2Cl","OAAXFFJVNNWAFV-RRKGBCIJSA-N","393155",NA,"PDBC03323","694567","Present"
-"(+/-) Ethyl cis-2-(3,4-dihydroxyphenyl) cyclopropane-carboxylate","","","","","","","","","","","","","","","","","","","","(+/-) Ethyl cis-2-(3,4-dihydroxyphenyl) cyclopropane-car...","","CCOC(=O)C1CC1C2=CC(=C(C=C2)O)O","SWRWEMYWKUYJNN-RKDXNWHRSA-N","6712122",NA,"PDBC03324","657271","Present"
-"(+/-) Ethyl trans-2-(3,4-dihydroxyphenyl) cyclopropane-carboxylate","","","","","","","","","","","","","","","","","","","","(+/-) Ethyl trans-2-(3,4-dihydroxyphenyl) cyclopropane-c...","","CCOC(=O)C1CC1C2=CC(=C(C=C2)O)O","SWRWEMYWKUYJNN-DTWKUNHWSA-N","6712121",NA,"PDBC03325","657270","Present"
-"(+/-)-2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester","","","","","","","","","","","","","","","","","","","","1-[(t-Butyloxy)carbonyl]-6-hydroxy-3-{[(methanesulfonyl)...","","CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)O)COS(=O)(=O)C","YBIFXPUUHIBODV-UHFFFAOYSA-N","147453",NA,"PDBC03326","676515","Present"
-"(+/-)-Corydine","","","","","","","","","","","","","","","","","","","","(+/-)-Corydine","","CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)O)OC","IDQUPXZJURZAGF-UHFFFAOYSA-N","111119",NA,"PDBC03327","688261","Present"
-"(+/-)-Rhopaloic acid","","","","","","","","","","","","","","","","","","","","(+/-)-rhopaloic acid","","CC(=CCCC(=CCCC(=CCCC1CCC(OC1)C(=C)C(=O)O)C)C)C","IFDPWHHQIPWEFF-UFTLRZAHSA-N","6374719",NA,"PDBC03328","697717","Present"
-"(-) NHB-Phosphinit","","","","","","","","","","","","","","","","","","","","(-) NHB-Phosphinit","","CC(C)(C)NCC(COC1=CC=C(C=C1)[N+](=O)[O-])OP(C2=CC=CC=C2)C3=CC=CC=C3","NGXPFFKGKLJUKJ-UHFFFAOYSA-N","371461",NA,"PDBC03329","645729","Present"
-"(-)-(1R,1'R,5'R)-Carvone pinacol","","","","","","","","","","","","","","","","","","","","(-)-(1R,5R,1'R,5'R)-Carvone pinacol","","CC1=CCC(CC1(C2(CC(CC=C2C)C(=C)C)O)O)C(=C)C","WPQAOGZTDKTBHI-ADEKHHIBSA-N","363981",NA,"PDBC03330","629601","Present"
-"(-)-(6R,11S,18R,22S)-26-Hydroxy-22-methyl-cycloirid-16-enal","","","","","","","","","","","","","","","","","","","","(-)-(6R,10S,11S,18R,22S)-26-Hydroxy-22-methyl-cycloirid-...","","CC1CC=C(C(C1(C)C)C=CC(=CCCC2(C(C(=C(C)C=O)CCC2(C)O)CCCO)CO)C)C","CUWJDZXEDIUEEW-GISLAJJLSA-N","11969875",NA,"PDBC03331","631939","Present"
-"(-)-12-Oxocalanolide B","","","","","","","","","","","","","","","","","","","","trans (+-)10,11-Dihydro-6,6,10,11-tetramethyl-4-n-propyl...","","CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)C(C(O4)C)C","HQVBDUZROQMWRN-RYUDHWBXSA-N","382716",NA,"PDBC03332","670365","Present"
-"(-)-3'-epi-carba-thymidine","","","","","","","","","","","","","","","","","","","","(-)-3'-epi-carba-thymidine","","CC1=CN(C(=O)NC1=O)C2CC(C(C2)O)CO","ZOZRLTAJWLEGLG-UHFFFAOYSA-N","370697",NA,"PDBC03333","644194","Present"
-"(-)-Avarol","","","","","","","","","","","","","","","","","","","","(-)-Avarol","","CC1CCC2(C(C1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C","JSPUCPNQXKTYRO-DVMWJLJYSA-N","391578",NA,"PDBC03334","691033","Present"
-"(-)-Chokol A","","","","","","","","","","","","","","","","","","","","NSC630450","","CC1C(CCC1(C)O)C(=C)CCCO","MLBPPDRXJFCPML-SDDRHHMPSA-N","181328",NA,"PDBC03335","630450","Present"
-"(-)-Dibenzylnortrachelogenin","","","","","","","","","","","","","","","","","","","","(-)-Dibenzylnortrachelogenin","","COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)O)OCC5=CC=CC=C5","CVGGDXZSZGFSIT-GVYVVWIYSA-N","405098",NA,"PDBC03336","722052","Present"
-"(-)-Dicentrine","","","","","","","","","","","","","","","","","","","","DICENTRINE-(-)","","CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3","YJWBWQWUHVXPNC-CQSZACIVSA-N","317843",NA,"PDBC03337","251699","Present"
-"(-)-Ent-Bullatacin","","","","","","","","","","","","","","","","","","","","(-)-ent-Bullatacin","","CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O","MBABCNBNDNGODA-MWEJZUJISA-N","6712244",NA,"PDBC03338","662303","Present"
-"(-)-Galiellalactone","","","","","","","","","","","","","","","","","","","","NSC771565","","CC1CC2CCC3C2(C(=C1)C(=O)O3)O","SOIISBQQYAGDKM-QJSROADHSA-N","11310070",NA,"PDBC03339","771565","Present"
-"(-)-Huprine Y","","","","","","","","","","","","","","","","","","","","(-)-Huprine Y","","CC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N.Cl","PIFZZHUTNUAVBT-VZXYPILPSA-N","54608866",NA,"PDBC03340","720262","Present"
-"(-)-Hydroxycitrate","","","","","","","","","","","","","","","","","","","","(-)-Hydroxycitrate","","C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O.[Na+]","OXEBEZXXBLKNFY-UHFFFAOYSA-N","25222253",NA,"PDBC03341","704542","Present"
-"(-)-Perillyl alcohol","","","","","","","","","","","","","","","","","","","","perillol","","CC(=C)C1CCC(=CC1)CO","NDTYTMIUWGWIMO-SNVBAGLBSA-N","369312",NA,"PDBC03342","641066","Present"
-"(-)-Roehybridine","","","","","","","","","","","","","","","","","","","","(-)-Roehybridine","","CN1CCC2=CC(=C(C3=C2C1CC34CCC5(C(C4)OC)C6=C(CCN5)C7=CC(=C(C=C7N6)OC)OC)O)OC","ZEQJFLRBPFWVDX-LIDVWUJLSA-N","6711431",NA,"PDBC03343","626578","Present"
-"(-)-Roemeridine","","","","","","","","","","","","","","","","","","","","(-)-Roemeridine","","CN1CCC2=CC(=C(C3=C2C1CC34CCC5(C(C4)OC)C6=C(CCN5)C7=CC(=C(C=C7N6)OC)OC)O)OC","ZEQJFLRBPFWVDX-LGFSPVNFSA-N","5459132",NA,"PDBC03344","626577","Present"
-"(-)-Sesamin","","","","","","","","","","","","","","","","","","","","(-)-sesamin","","C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6","PEYUIKBAABKQKQ-NSMLZSOPSA-N","382073",NA,"PDBC03345","669389","Present"
-"(-)7,8-Dihydrocalanolide A","","","","","","","","","","","","","","","","","","","","(-)7,8-Dihydrocalanolide A","","CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2C(C(C(O4)C)C)O","YPUTYHJWWMYIGF-OAVHHTNSSA-N","383107",NA,"PDBC03346","682400","Present"
-"(1'-Methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) (2R)-2-methoxy-2-phenylacetate","","","","","","","","","","","","","","","","","","","","(1'-Methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) (2R)-2-methoxy-2-phenylacetate","","CN1C2=CC=CC=C2C3(C1=O)CCC(C=C3)OC(=O)C(C4=CC=CC=C4)OC","COUDXZSBSIFFMV-WEQDKIBNSA-N","393183",NA,"PDBC03347","694671","Present"
-"(1'-Methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) N-[(1R)-1-naphthalen-1-ylethyl]carbamate","","","","","","","","","","","","","","","","","","","","(1'-Methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) N-[(1R)-1-naphthalen-1-ylethyl]carbamate","","CC(C1=CC=CC2=CC=CC=C21)NC(=O)OC3CCC4(C=C3)C5=CC=CC=C5N(C4=O)C","SPQSFTDYXUMGEZ-FYPSYCSSSA-N","5469947",NA,"PDBC03348","694673","Present"
-"(1'R,2'R,8'S,10'R)-10'-Phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one","","","","","","","","","","","","","","","","","","","","(1'R,2'R,8'S,10'R)-10'-Phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one","","C1CC2C3C(C4(C(CC3=O)SC5=CC=CC=C5)OCCO4)ON2C1","SDRYWBREBZUFOO-SIXLDLHFSA-N","402518",NA,"PDBC03349","716544","Present"
-"(1'R,2'R,8'S,10'S)-10'-Phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one","","","","","","","","","","","","","","","","","","","","(1'R,2'R,8'S,10'S)-10'-Phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one","","C1CC2C3C(C4(C(CC3=O)SC5=CC=CC=C5)OCCO4)ON2C1","SDRYWBREBZUFOO-IWCQGFGOSA-N","398472",NA,"PDBC03350","708375","Present"
-"(1'R,5'R,6'S)-6'-(Benzenesulfonyl)-8'-benzyl-6'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]","","","","","","","","","","","","","","","","","","","","(1'R,5'R,6'S)-6'-(Benzenesulfonyl)-8'-benzyl-6'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]","","CC1(CC2C3(CCC1N2CC4=CC=CC=C4)OCCO3)S(=O)(=O)C5=CC=CC=C5","WJPQMRDIIJFITA-VSKRKVRLSA-N","397183",NA,"PDBC03351","704590","Present"
-"(1'R,8'As)-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine]-3'-one","","","","","","","","","","","","","","","","","","","","(1'R,8'As)-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine]-3'-one","","C1CN2C(CC13OCCO3)C(OC2=O)C4=CC=CC=C4","ZLZCGLPVVZUZBB-QWHCGFSZSA-N","359587",NA,"PDBC03352","620581","Present"
-"(1'S,3'R,5'R,8'E,12'E,15'S)-5',9',13'-Trimethylspiro[3,4-dihydropyrazole-5,18'-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene]-17'-one","","","","","","","","","","","","","","","","","","","","(1'S,3'R,5'R,8'E,12'E,15'S)-5',9',13'-Trimethylspiro[3,4-dihydropyrazole-5,18'-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene]-17'-one","","CC1=CCCC2(C(O2)CC3C(CC(=CCC1)C)OC(=O)C34CCN=N4)C","WHIVRHBDIIISAP-QVNLKODRSA-N","5469907",NA,"PDBC03353","694077","Present"
-"(1'S,4S,4'R)-3-Hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]","","","","","","","","","","","","","","","","","","","","(1'S,4S,4'R)-3-Hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]","","CC1(C2CCC(C2)C13COC(N3O)(C)C)C","KZTYVSUOSFYZPB-CWSCBRNRSA-N","6712658",NA,"PDBC03354","704820","Present"
-"(1'beta)-4'alpha,7',7'-Trimethyl-3,4-[1,3]butadienodispiro[3-cyclopentene-1,2'-bicyclo[2.2.1]heptane-3',3''-dithiirane]1''-oxide","","","","","","","","","","","","","","","","","","","","(1'beta)-4'alpha,7',7'-Trimethyl-3,4-[1,3]butadienodispiro[3-cyclopentene-1,2'-bicyclo[2.2.1]heptane-3',3''-dithiirane]1''-oxide","","CC1(C2CCC1(C3(C24CC5=CC=CC=C5C4)SS3=O)C)C","RPORBFLCXATWJC-RDPTYPHRSA-N","402591",NA,"PDBC03355","716721","Present"
-"(1,1,1-Trichloro-2-methylpropan-2-yl) 10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carboxylate","","","","","","","","","","","","","","","","","","","","(1,1,1-Trichloro-2-methylpropan-2-yl) 10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carboxylate","","CC(C)(C(Cl)(Cl)Cl)OC(=O)N1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC","ZJDGLIKUFVJFEM-UHFFFAOYSA-N","363408",NA,"PDBC03356","628312","Present"
-"(1,2,4,5-Tetrazine-3,6-diyl)bis[(4-methylphenyl)methanone]","","","","","","","","","","","","","","","","","","","","[6-(4-Methylbenzoyl)-1,2,4,5-tetrazin-3-yl]-(4-methylphenyl)methanone","","CC1=CC=C(C=C1)C(=O)C2=NN=C(N=N2)C(=O)C3=CC=C(C=C3)C","PISDYKCQRFNUMI-UHFFFAOYSA-N","298782",NA,"PDBC03357","171111","Present"
-"(1,2-Benzisothiazol-2(3H)-yl)methyl 4-methylpiperazine-1-carbodithioate","","","","","","","","","","","","","","","","","","","","(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl 4-...","","CN1CCN(CC1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O","WISWTKJBQSFCCS-UHFFFAOYSA-N","16072473",NA,"PDBC03358","735181","Present"
-"(1,2-Benzisothiazol-2(3H)-yl)methyl diethyldithiocarbamate","","","","","","","","","","","","","","","","","","","","(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl di...","","CCN(CC)C(=S)SCN1C(=O)C2=CC=CC=C2S1(=O)=O","RPOHTLLNFAMCOX-UHFFFAOYSA-N","16072143",NA,"PDBC03359","735179","Present"
-"(1,2-Benzisothiazol-2(3H)-yl)methyl morpholine-4-carbodithioate","","","","","","","","","","","","","","","","","","","","(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl mo...","","C1COCCN1C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O","WKHYFMGCULHTDL-UHFFFAOYSA-N","16072469",NA,"PDBC03360","735182","Present"
-"(1,2-Benzisothiazol-2(3H)-yl)methyl piperidine-1-carbodithioate","","","","","","","","","","","","","","","","","","","","(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl pi...","","C1CCN(CC1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O","OXFAWARCXIPXID-UHFFFAOYSA-N","16072475",NA,"PDBC03361","735180","Present"
-"(1,2-Benzisothiazol-2(3H)-yl)methyl pyrrolidine-1-carbodithioate","","","","","","","","","","","","","","","","","","","","(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl py...","","C1CCN(C1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O","XWFZBYDAANKNFN-UHFFFAOYSA-N","16072470",NA,"PDBC03362","735183","Present"
-"(1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)(phenyl)methyl acetate","","","","","","","","","","","","","","","","","","","","(1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)(phenyl)methyl acetate","","CC(=O)OC(C1C2C3=C(C4=CC=CC=C14)C(=C(C=C3CCN2C)OC)OC)C5=CC=CC=C5","IGRKHRUNPPEQNP-UHFFFAOYSA-N","363085",NA,"PDBC03363","627650","Present"
-"(1,3,2-dithiarsolan-2-ylthio)acetic acid","","","","","","","","","","","","","","","","","","","","(1,3,2-dithiarsolan-2-ylthio)acetic acid","","C1CS[As](S1)SCC(=O)O","STKFUOAEOBBGGH-UHFFFAOYSA-N","96378",NA,"PDBC03364","71381","Present"
-"(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl) 2-aminobenzoate","","","","","","","","","","","","","","","","","","","","(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl) 2-aminobenzoate","","CC1(C2CCC(C2)(C1OC(=O)C3=CC=CC=C3N)C)C","WSROWZALSNALOL-UHFFFAOYSA-N","346130",NA,"PDBC03365","404186","Present"
-"(1,3,5-Trioxo-2-phenyl-7,8,9,10-tetrahydropyrrolo[3,4-a]quinolizin-4-yl) acetate","","","","","","","","","","","","","","","","","","","","(1,3,5-Trioxo-2-phenyl-7,8,9,10-tetrahydropyrrolo[3,4-a]quinolizin-4-yl) acetate","","CC(=O)OC1=C2C(=C3CCCCN3C1=O)C(=O)N(C2=O)C4=CC=CC=C4","UDAPQAULZYCILE-UHFFFAOYSA-N","397444",NA,"PDBC03366","705302","Present"
-"(1,3-Dibenzyl-4,5-diphenyl-imidazol-2-ylidene) gold(I) c...","","","","","","","","","","","","","","","","","","","","(1,3-Dibenzyl-4,5-diphenyl-imidazol-2-ylidene) gold(I) c...","","","","",NA,"PDBC03367","778653","Present"
-"(1,3-Dihydroxy-5,6-dihydrobenzo[f]quinolin-2-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(1,3-Dihydroxy-5,6-dihydrobenzo[f]quinolin-2-yl)methyl acetate","","CC(=O)OCC1=C(C2=C(CCC3=CC=CC=C32)NC1=O)O","KVGUOOXIYNWQQG-UHFFFAOYSA-N","54704028",NA,"PDBC03368","648406","Present"
-"(1,3-Dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)hydrazine","","","","","","","","","","","","","","","","","","","","(1,3-Dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)hydrazine","","CC1CN(C2=CC=CC=C2N=C1NN)C","WYBXHOWQCVZZQS-UHFFFAOYSA-N","397539",NA,"PDBC03369","705847","Present"
-"(1,3-Dimethyl-2,6-dioxopurin-7-yl)-[2-methoxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]mercury","","","","","","","","","","","","","","","","","","","","(1,3-Dimethyl-2,6-dioxopurin-7-yl)-[2-methoxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]mercury","","CN1C2=C(C(=O)N(C1=O)C)N(C=N2)[Hg]CC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)OC","BFPLDFGXGURDMF-UHFFFAOYSA-M","409344",NA,"PDBC03370","20410","Present"
-"(1,3-Dioxo-2-phenylinden-2-yl)-dimethylsulfanium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","NSC656584","","C[S+](C)C1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]","PHRCFYFYOOGKII-UHFFFAOYSA-M","24202430",NA,"PDBC03371","656584","Present"
-"(1,3-Dioxobenzo[de]isoquinolin-2-yl) acetate","","","","","","","","","","","","","","","","","","","","Maybridge1_005792","","CC(=O)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O","AATRCBPAUJCECJ-UHFFFAOYSA-N","304928",NA,"PDBC03372","201656","Present"
-"(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) azide","","","","","","","","","","","","","","","","","","","","(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) azide","","","","",NA,"PDBC03373","793127","Present"
-"(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) cy...","","","","","","","","","","","","","","","","","","","","(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) cy...","","","","",NA,"PDBC03374","793128","Present"
-"(1,4,7,10,13,16-Hexathiocyclooctadecaneplatinum(II)bis-(...","","","","","","","","","","","","","","","","","","","","(1,4,7,10,13,16-Hexathiocyclooctadecaneplatinum(II)bis-(...","","","","",NA,"PDBC03375","633558","Present"
-"(1,4-Dibenzyl-5-oxo-4H-imidazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","(1,4-Dibenzyl-5-oxo-4H-imidazol-2-yl)urea","","C1=CC=C(C=C1)CC2C(=O)N(C(=N2)NC(=O)N)CC3=CC=CC=C3","OUPOPKGMZUORSH-UHFFFAOYSA-N","375249",NA,"PDBC03376","654638","Present"
-"(1,4-Dihydroxy-5,8-dioxo-5,8-dihydronaphthalene-2,3-diyl)bis(methylene) diacetate","","","","","","","","","","","","","","","","","","","","[3-(Acetyloxymethyl)-1,4-dihydroxy-5,8-dioxonaphthalen-2-yl]methyl acetate","","CC(=O)OCC1=C(C(=C2C(=O)C=CC(=O)C2=C1O)O)COC(=O)C","RIHLIJMUVKXNIG-UHFFFAOYSA-N","311768",NA,"PDBC03377","217307","Present"
-"(1,4-Phenylenbis(iminomethyl)]di-2-naphtholato-O,O',N,N']bis[dicarbonyliridium(I)]","","","","","","","","","","","","","","","","","","","","(1,1'-[1,4-Phenylenbis(iminomethyl)]di-2-naphtholato- O,...","","[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)N=CC4=C(C=CC5=CC=CC=C54)[O-])[O-].[Ir].[Ir]","NVFKKAXBNVGMIL-UHFFFAOYSA-L","6711759",NA,"PDBC03378","639601","Present"
-"(1,5-Diamino-5-phosphonopentyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","(1,5-Diamino-5-phosphonopentyl)phosphonic acid","","C(CC(N)P(=O)(O)O)CC(N)P(=O)(O)O","DVGVTCMVKJFVEN-UHFFFAOYSA-N","363602",NA,"PDBC03379","628597","Present"
-"(1,6-Bis-trifluoromethyl-quinoxalin-2-yl)-naphthalen-2-yl-methanone","","","","","","","","","","","","","","","","","","","","(1,4-Dioxy-3,6-bis-trifluoromethyl-quinoxalin-2-yl)-naph...","","C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=CC(=C4)C(F)(F)F)[O-])C(F)(F)F","FOQOVCMPHXNQQC-UHFFFAOYSA-N","23635412",NA,"PDBC03380","741433","Present"
-"(1,7,7-Trimethylnorbornan-2-yl) acetate","","","","","","","","","","","","","","","","","","","","2:1 Mixture of (1R)-Bornyl acetate and (1R)-Isobornyl ac...","","CC(=O)OC1CC2CCC1(C2(C)C)C.CC(=O)OC1CC2CCC1(C2(C)C)C","DYTSXYJULYDSMX-UHFFFAOYSA-N","376769",NA,"PDBC03381","657826","Present"
-"(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)N)CO","OTRGPSBNWZQIBZ-UHFFFAOYSA-N","385246",NA,"PDBC03382","676359","Present"
-"(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol","","C1CCC(C1)(CNC2=C(C(=NC(=N2)N)Cl)N)CO","WBFFONKDNAWDEI-UHFFFAOYSA-N","385253",NA,"PDBC03383","676364","Present"
-"(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol","","C1CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO","JMPCYORLURZTSM-UHFFFAOYSA-N","385245",NA,"PDBC03384","676358","Present"
-"(1-(((2-Amino-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol","","C1C(CC1(CNC2=NC(=NC=C2)N)CO)OCC3=CC=CC=C3","PSNDXYIUOKOTQI-UHFFFAOYSA-N","385195",NA,"PDBC03385","676310","Present"
-"(1-(((2-Amino-5-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-5-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol","","C1C(CC1(CNC2=NC(=NC=C2Cl)N)CO)CCC3=CC=CC=C3","HTJOWPAOCKGKIL-UHFFFAOYSA-N","385199",NA,"PDBC03386","676313","Present"
-"(1-(((2-Amino-5-cyano-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methyl acetate","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-5-cyano-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methyl acetate","","CC(=O)OCC1(CC(C1)CCC2=CC=CC=C2)CNC3=NC(=NC=C3C#N)N","OIYTUSWXTFVUAE-UHFFFAOYSA-N","385201",NA,"PDBC03387","676315","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)(methyl)amino)methyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)(methyl)amino)methyl)cyclobutyl)methanol","","CN(CC1(CCC1)CO)C2=CC(=NC(=N2)N)Cl","VLRPKCUNBJCKDY-UHFFFAOYSA-N","385244",NA,"PDBC03388","676357","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(3-phenylpropyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","Cyclobutanemethanol, 1-[[(2-amino-4-chloro-6-pyrimidinyl...","","C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CCCC3=CC=CC=C3","QTBFZRZEWHBMHT-UHFFFAOYSA-N","385233",NA,"PDBC03389","676346","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclopentyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclopentyl)methanol","","C1CC(CC1OCC2=CC=CC=C2)(CNC3=CC(=NC(=N3)N)Cl)CO","AXDQWOUUBIAQQJ-UHFFFAOYSA-N","385240",NA,"PDBC03390","676353","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-benzylcyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-benzylcyclobutyl)methanol","","C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CC3=CC=CC=C3","NTDUGCCSGYVSPG-UHFFFAOYSA-N","385231",NA,"PDBC03391","676344","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-cyclopenten-1-yl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-cyclopenten-1-yl)methanol","","C1C=CCC1(CNC2=CC(=NC(=N2)N)Cl)CO","HFQFLWJQBZODSZ-UHFFFAOYSA-N","385238",NA,"PDBC03392","676351","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-isopropylcyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-isopropylcyclobutyl)methanol","","CC(C)C1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO","AXPSLTILUXOOEE-UHFFFAOYSA-N","385230",NA,"PDBC03393","676343","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-phenylcyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-phenylcyclobutyl)methanol","","C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)C3=CC=CC=C3","GCEPYXIYONHYEE-UHFFFAOYSA-N","385235",NA,"PDBC03394","676348","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclohexyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclohexyl)methanol","","C1CCC(CC1)(CNC2=CC(=NC(=N2)N)Cl)CO","FGFQSPRDQMLFIW-UHFFFAOYSA-N","385241",NA,"PDBC03395","676354","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol","","C1CCC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO","NVXDJJNBIHJIJS-UHFFFAOYSA-N","385236",NA,"PDBC03396","676349","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-2-vinylcyclopropyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-2-vinylcyclopropyl)methanol","","C=CC1CC1(CO)COC2=CC(=NC(=N2)N)Cl","ANJPQUDNYHQBIX-UHFFFAOYSA-N","385278",NA,"PDBC03397","676389","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3,3-dimethoxycyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3,3-dimethoxycyclobutyl)methanol","","COC1(CC(C1)(CO)COC2=CC(=NC(=N2)N)Cl)OC","ZSVOIYQMRPGVFE-UHFFFAOYSA-N","385280",NA,"PDBC03398","676391","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3-(benzyloxy)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3-(benzyloxy)cyclobutyl)methanol","","C1C(CC1(CO)COC2=CC(=NC(=N2)N)Cl)OCC3=CC=CC=C3","LEDKQTQKGHQRAU-UHFFFAOYSA-N","385281",NA,"PDBC03399","676392","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3-cyclopenten-1-yl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3-cyclopenten-1-yl)methanol","","C1C=CCC1(CO)COC2=CC(=NC(=N2)N)Cl","YOKZLTDLYJTJAQ-UHFFFAOYSA-N","385304",NA,"PDBC03400","676416","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)cyclohexyl)methanol","","","","","","","","","","","","","","","","","","","","[1-[(2-Amino-6-chloro-pyrimidin-4-yl)oxymethyl]cyclohexyl]methanol","","C1CCC(CC1)(CO)COC2=CC(=NC(=N2)N)Cl","YNDIEFJUGWWEEO-UHFFFAOYSA-N","385305",NA,"PDBC03401","676417","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)cyclopentyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)cyclopentyl)methanol","","C1CCC(C1)(CO)COC2=CC(=NC(=N2)N)Cl","JSYKMIKDTCQRRV-UHFFFAOYSA-N","385303",NA,"PDBC03402","676415","Present"
-"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)cyclopropyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)cyclopropyl)methanol","","C1CC1(CO)COC2=CC(=NC(=N2)N)Cl","BHTAWSSDIJIBLW-UHFFFAOYSA-N","385277",NA,"PDBC03403","676388","Present"
-"(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)N=NC3=CC=C(C=C3)Cl)CO","NEICZCKUQVFNSJ-UHFFFAOYSA-N","385283",NA,"PDBC03404","676394","Present"
-"(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol","","C1CC1(CNC2=C(C(=NC(=N2)N)Cl)N=NC3=CC=C(C=C3)Cl)CO","ZDIKAPGPFSZXOG-UHFFFAOYSA-N","385282",NA,"PDBC03405","676393","Present"
-"(1-(((2-Amino-6-chloro-5-(hydroxymethyl)-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","[2-Amino-4-chloro-6-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidin-5-yl]methanol","","C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)CO)CO)CCC3=CC=CC=C3","BFEICJMVGSKDHP-UHFFFAOYSA-N","385260",NA,"PDBC03406","676371","Present"
-"(1-(((2-Imino-6-methoxy-1,2,3,6-tetrahydro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Imino-6-methoxy-1,2,3,6-tetrahydro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","COC1C=C(NC(=N1)N)NCC2(CCC2)CO","GUQBMCCAWGEYSX-UHFFFAOYSA-N","385271",NA,"PDBC03407","676382","Present"
-"(1-(((2-Imino-6-methyl-1,2,3,6-tetrahydro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Imino-6-methyl-1,2,3,6-tetrahydro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","CC1C=C(NC(=N1)N)NCC2(CCC2)CO","IHTYPNQYXHAKJA-UHFFFAOYSA-N","385273",NA,"PDBC03408","676384","Present"
-"(1-(((3-Amino-2-pyridinyl)amino)methyl)cyclopentyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((3-Amino-2-pyridinyl)amino)methyl)cyclopentyl)methanol","","C1CCC(C1)(CNC2=C(C=CC=N2)N)CO","MOUQBANRVFBYEB-UHFFFAOYSA-N","385300",NA,"PDBC03409","676412","Present"
-"(1-(((5-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((5-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","C1CC(C1)(CNC2=C(C(=NC=N2)Cl)N)CO","XGUNUSBYGULJRK-UHFFFAOYSA-N","385207",NA,"PDBC03410","676320","Present"
-"(1-(((6-((1-(Hydroxymethyl)cyclobutyl)methoxy)-2-imino-1,2,3,6-tetrahydro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","[1-[[[2-Amino-4-[[1-(hydroxymethyl)cyclobutyl]methoxy]-1,4-dihydropyrimidin-6-yl]amino]methyl]cyclobutyl]methanol","","C1CC(C1)(CNC2=CC(N=C(N2)N)OCC3(CCC3)CO)CO","YCCJVKKFGSNXNQ-UHFFFAOYSA-N","385272",NA,"PDBC03411","676383","Present"
-"(1-(((6-Chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(((6-Chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","C1CC(C1)(CNC2=CC(=NC=N2)Cl)CO","CIWXLFYLUODUSJ-UHFFFAOYSA-N","385206",NA,"PDBC03412","676319","Present"
-"(1-((2,3,6-Trimethoxy-9-phenanthryl)methyl)-2-piperidinyl)methanol","","","","","","","","","","","","","","","","","","","","(1-((2,3,6-Trimethoxy-9-phenanthryl)methyl)-2-piperidinyl)methanol","","COC1=CC2=C3C=C(C(=CC3=CC(=C2C=C1)CN4CCCCC4CO)OC)OC","KGNVTELDXXAIHE-UHFFFAOYSA-N","363315",NA,"PDBC03413","628135","Present"
-"(1-((2-Amino-6-chloro-4-pyrimidinyl)amino)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-((2-Amino-6-chloro-4-pyrimidinyl)amino)cyclobutyl)methanol","","C1CC(C1)(CO)NC2=CC(=NC(=N2)N)Cl","GIYFSAHJYWOWSJ-UHFFFAOYSA-N","385208",NA,"PDBC03414","676321","Present"
-"(1-((4-Methylphenyl)sulfonyl)-1H-imidazol-4-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(1-((4-Methylphenyl)sulfonyl)-1H-imidazol-4-yl)methyl acetate","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)COC(=O)C","KOBLKHSJVKFMHU-UHFFFAOYSA-N","382148",NA,"PDBC03415","669593","Present"
-"(1-((5-Methoxy-1H-indol-3-yl)methyl)-4-phenyl-4-piperidinyl)methanol","","","","","","","","","","","","","","","","","","","","(1-((5-Methoxy-1H-indol-3-yl)methyl)-4-phenyl-4-piperidinyl)methanol","","COC1=CC2=C(C=C1)NC=C2CN3CCC(CC3)(CO)C4=CC=CC=C4","NYVOMBGKIVNSQV-UHFFFAOYSA-N","380385",NA,"PDBC03416","665900","Present"
-"(1-((Benzylthio)(diethylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","(1-((Benzylthio)(diethylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","CCN(CC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SCC1=CC=CC=C1","VOYZJTKPQVIRHC-SQFISAMPSA-N","3004953",NA,"PDBC03417","665100","Present"
-"(1-(2-((2-Amino-6-chloro-4-pyrimidinyl)amino)ethyl)cyclobutyl)methanol","","","","","","","","","","","","","","","","","","","","(1-(2-((2-Amino-6-chloro-4-pyrimidinyl)amino)ethyl)cyclobutyl)methanol","","C1CC(C1)(CCNC2=CC(=NC(=N2)N)Cl)CO","ALKAJXGAAROLOG-UHFFFAOYSA-N","385243",NA,"PDBC03418","676356","Present"
-"(1-(3-(Benzylamino)-3-oxopropyl)-3-hydroxy-2-piperidinyl)methyl hydroxy(diphenyl)acetate","","","","","","","","","","","","","","","","","","","","(1-(3-(Benzylamino)-3-oxopropyl)-3-hydroxy-2-piperidinyl)methyl hydroxy(diphenyl)acetate","","C1CC(C(N(C1)CCC(=O)NCC2=CC=CC=C2)COC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O","TUGQVTWXMDXVPK-UHFFFAOYSA-N","380022",NA,"PDBC03419","665317","Present"
-"(1-(3-Phenylpropanoyl)-1H-pyrrol-2-yl)methanol","","","","","","","","","","","","","","","","","","","","(1-(3-Phenylpropanoyl)-1H-pyrrol-2-yl)methanol","","C1=CC=C(C=C1)CCC(=O)N2C=CC=C2CO","HZHNRUMSFXBWSE-UHFFFAOYSA-N","382964",NA,"PDBC03420","670870","Present"
-"(1-(4-Chlorobenzyl)-2-oxohydrazino)(phenyl)acetic acid","","","","","","","","","","","","","","","","","","","","(1-(4-Chlorobenzyl)-2-oxohydrazino)(phenyl)acetic acid","","C1=CC=C(C=C1)C(C(=O)O)N(CC2=CC=C(C=C2)Cl)N=O","WBRGEXSDDDAVMU-UHFFFAOYSA-N","341212",NA,"PDBC03421","372874","Present"
-"(1-(Anilino(benzylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","(1-(Anilino(benzylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC=C2","BKACIYIXRUHGTK-ICFOKQHNSA-N","3004952",NA,"PDBC03422","665099","Present"
-"(1-(Bis(2,4-dimethylanilino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","(1-(Bis(2,4-dimethylanilino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","CC1=CC(=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=C(C=C(C=C2)C)C)C","ZTKWVTVKZFAMRF-UHFFFAOYSA-N","384034",NA,"PDBC03423","673145","Present"
-"(1-(Bis(benzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","(1-(Bis(benzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","C1=CC=C(C=C1)CNC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NCC2=CC=CC=C2","MGBZQQZTZQNXSX-UHFFFAOYSA-N","384035",NA,"PDBC03424","673146","Present"
-"(1-(Bis(dibenzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","(1-(Bis(dibenzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N(CC3=CC=CC=C3)CC4=CC=CC=C4","PCOMIIZOGRSEMH-UHFFFAOYSA-N","386282",NA,"PDBC03425","678039","Present"
-"(1-(Bis(tert-butylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","(1-(Bis(tert-butylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide","","CC(C)(C)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC(C)(C)C","NWMGMQOGFZEEQJ-UHFFFAOYSA-N","379890",NA,"PDBC03426","665082","Present"
-"(1-(Ethoxycarbonyl)-2-oxocyclopentyl)acetic acid","","","","","","","","","","","","","","","","","","","","[1-(Ethoxycarbonyl)-2-oxocyclopentyl]acetic acid","","CCOC(=O)C1(CCCC1=O)CC(=O)O","JJTRRJRRBRCVSC-UHFFFAOYSA-N","240444",NA,"PDBC03427","46647","Present"
-"(1-(Methylsulfonyl)-6-((methylsulfonyl)amino)-2,3-dihydro-1H-indol-3-yl)methyl methanesulfonate","","","","","","","","","","","","","","","","","","","","(1-(Methylsulfonyl)-6-((methylsulfonyl)amino)-2,3-dihydro-1H-indol-3-yl)methyl methanesulfonate","","CS(=O)(=O)NC1=CC2=C(C=C1)C(CN2S(=O)(=O)C)COS(=O)(=O)C","HUJGJFIBCZYFIW-UHFFFAOYSA-N","384836",NA,"PDBC03428","675354","Present"
-"(1-Acetyl-1H-benzimidazol-2-yl)methyl methanesulfonate","","","","","","","","","","","","","","","","","","","","(1-Acetyl-1H-benzimidazol-2-yl)methyl methanesulfonate","","CC(=O)N1C2=CC=CC=C2N=C1COS(=O)(=O)C","QBLZURCAHPNDJE-UHFFFAOYSA-N","270475",NA,"PDBC03429","112898","Present"
-"(1-Acetyl-3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone","","","","","","","","","","","","","","","","","","","","(1-Acetyl-3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone","","CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C(=O)C4=CC=CO4","SUZLJZVQFUEUQR-UHFFFAOYSA-N","390448",NA,"PDBC03430","687802","Present"
-"(1-Acetyl-3-(2-hydroxy-1-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone","","","","","","","","","","","","","","","","","","","","(1-Acetyl-3-(2-hydroxy-1-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone","","CC(=O)N1C(CC(=N1)C2=C(C=CC3=CC=CC=C32)O)C(=O)C4=CC=CO4","UOOGYSAHQAMOKC-UHFFFAOYSA-N","390438",NA,"PDBC03431","687792","Present"
-"(1-Acetyl-3-methylindol-2-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(1-Acetyl-3-methylindol-2-yl)methyl acetate","","CC1=C(N(C2=CC=CC=C12)C(=O)C)COC(=O)C","MXHQBJIKUDHIED-UHFFFAOYSA-N","359682",NA,"PDBC03432","621096","Present"
-"(1-Acetyl-9-hydroxy-3a,9a-dihydrobenzo[f]indazol-4-yl) acetate","","","","","","","","","","","","","","","","","","","","(1-Acetyl-9-hydroxy-3a,9a-dihydrobenzo[f]indazol-4-yl) acetate","","CC(=O)N1C2C(C=N1)C(=C3C=CC=CC3=C2O)OC(=O)C","OLKONXYSUGTWSO-UHFFFAOYSA-N","388285",NA,"PDBC03433","682925","Present"
-"(1-Acetylindol-3-yl) diphenyl phosphate","","","","","","","","","","","","","","","","","","","","1-Acetyl-1h-indol-3-yl diphenyl phosphate","","CC(=O)N1C=C(C2=CC=CC=C21)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4","MLMRLILTJBUIFO-UHFFFAOYSA-N","403816",NA,"PDBC03434","719331","Present"
-"(1-Acetyloxy-12,12-dimethyl-3,6-dioxo-9-tricyclo[6.2.2.02,7]dodeca-4,9-dienyl) acetate","","","","","","","","","","","","","","","","","","","","(1-Acetyloxy-12,12-dimethyl-3,6-dioxo-9-tricyclo[6.2.2.02,7]dodeca-4,9-dienyl) acetate","","CC(=O)OC1=CC2(CC(C1C3C2C(=O)C=CC3=O)(C)C)OC(=O)C","HGLNSMLFIIDKCZ-UHFFFAOYSA-N","359521",NA,"PDBC03435","620504","Present"
-"(1-Adamantylamino)(1,3-benzodioxol-5-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","(1-Adamantylamino)(1,3-benzodioxol-5-yl)acetonitrile","","C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC5=C(C=C4)OCO5","PYWCWJGKPVQGNQ-UHFFFAOYSA-N","363992",NA,"PDBC03436","629610","Present"
-"(1-Adamantylamino)(2-(trifluoromethyl)phenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(1-Adamantylamino)(2-(trifluoromethyl)phenyl)acetonitrile","","C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC=CC=C4C(F)(F)F","YQIUUFXRTZDIFP-UHFFFAOYSA-N","375078",NA,"PDBC03437","654016","Present"
-"(1-Adamantylamino)(3,4-dimethoxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(1-Adamantylamino)(3,4-dimethoxyphenyl)acetonitrile","","COC1=C(C=C(C=C1)C(C#N)NC23CC4CC(C2)CC(C4)C3)OC","HCPWOXIASSQVNR-UHFFFAOYSA-N","363991",NA,"PDBC03438","629609","Present"
-"(1-Adamantylamino)(3-methoxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(1-Adamantylamino)(3-methoxyphenyl)acetonitrile","","COC1=CC=CC(=C1)C(C#N)NC23CC4CC(C2)CC(C4)C3","UMLLSOKVNVQQFN-UHFFFAOYSA-N","363994",NA,"PDBC03439","629612","Present"
-"(1-Adamantylamino)(4-methoxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(1-Adamantylamino)(4-methoxyphenyl)acetonitrile","","COC1=CC=C(C=C1)C(C#N)NC23CC4CC(C2)CC(C4)C3","AJXZTNMCDRQZJT-UHFFFAOYSA-N","363993",NA,"PDBC03440","629611","Present"
-"(1-Adamantylamino)(phenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(1-Adamantylamino)(phenyl)acetonitrile","","C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC=CC=C4","LVUHFRRTSCANOO-UHFFFAOYSA-N","363990",NA,"PDBC03441","629608","Present"
-"(1-Amino-2-phenylethyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","LS-106439","","C1=CC=C(C=C1)CC(N)P(=O)(O)O","FQCNOURLMNHAQN-UHFFFAOYSA-N","97710",NA,"PDBC03442","30080","Present"
-"(1-Aminocyclohexyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","FCH1273090","","C1CCC(CC1)(N)P(=O)(O)O","VMSRCTIIPRWCGJ-UHFFFAOYSA-N","330854",NA,"PDBC03443","320308","Present"
-"(1-Benzoylpiperidin-2-yl)-phenylmethanone","","","","","","","","","","","","","","","","","","","","(1-Benzoylpiperidin-2-yl)-phenylmethanone","","C1CCN(C(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","FYKXWTQVVIILKN-UHFFFAOYSA-N","359218",NA,"PDBC03444","619927","Present"
-"(1-Benzyl-1H-indol-3-yl)-methanol","","","","","","","","","","","","","","","","","","","","N-Benzyl-indole-3-carbinol","","C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CO","DXCRDLUQTDLMKZ-UHFFFAOYSA-N","402633",NA,"PDBC03445","716807","Present"
-"(1-Benzyl-2-methyl-1H-imidazol-5-yl)(4-methylphenyl)methanol","","","","","","","","","","","","","","","","","","","","(1-Benzyl-2-methyl-1H-imidazol-5-yl)(4-methylphenyl)methanol","","CC1=CC=C(C=C1)C(C2=CN=C(N2CC3=CC=CC=C3)C)O","LDUBFHKGOKKYNV-UHFFFAOYSA-N","303177",NA,"PDBC03446","191260","Present"
-"(1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinyl)methanol","","","","","","","","","","","","","","","","","","","","N-Benzyl-2(R)-hydroxymethyl-3(R),4(R),5(S)- tribenzyloxy...","","C1C(C(C(C(N1CC2=CC=CC=C2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","YAEJOANLERDYGA-UHFFFAOYSA-N","364050",NA,"PDBC03447","629676","Present"
-"(1-Benzyl-4a-ethyl-7-methyl-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazol-6-yl)methanol","","","","","","","","","","","","","","","","","","","","(1-Benzyl-4a-ethyl-7-methyl-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazol-6-yl)methanol","","CCC12CCCN(C1C3=C(C(C2)CO)N(C4=CC=CC=C43)C)CC5=CC=CC=C5","DFSFUXVZVGGWRV-UHFFFAOYSA-N","372694",NA,"PDBC03448","648224","Present"
-"(1-Benzylaziridine-2,3-diyl)bis(phenylmethanone)","","","","","","","","","","","","","","","","","","","","NSC167149","","C1=CC=C(C=C1)CN2C(C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","LSWFEKFANVJTSQ-UHFFFAOYSA-N","296695",NA,"PDBC03449","167149","Present"
-"(1-Benzylsulfanylcyclohexyl)sulfanylmethylbenzene","","","","","","","","","","","","","","","","","","","","(((1-(Benzylthio)cyclohexyl)thio)methyl)benzene","","C1CCC(CC1)(SCC2=CC=CC=C2)SCC3=CC=CC=C3","IXLULFZJRWMCAC-UHFFFAOYSA-N","377593",NA,"PDBC03450","659161","Present"
-"(1-Bromo-5-oxo-2H-pyrrol-4-yl) 1-bromo-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","1-Bromo-4-[(1-bromo-2-oxo-5h-pyrrol-3-yl)oxy-hydroxy-methylene]pyrrolidine-2,3-dione","","C1C=C(C(=O)N1Br)OC(=O)C2=C(C(=O)N(C2)Br)O","ATGDYNITBQSSON-UHFFFAOYSA-N","54686212",NA,"PDBC03451","694959","Present"
-"(1-Carboxycyclopentyl)azanide;nickel(2+);dihydrate","","","","","","","","","","","","","","","","","","","","(1-Carboxycyclopentyl)azanide;nickel(2+);dihydrate","","C1CCC(C1)(C(=O)O)[NH-].C1CCC(C1)(C(=O)O)[NH-].O.O.[Ni+2]","OTHVZXQTYWBOPG-UHFFFAOYSA-N","419081",NA,"PDBC03452","110380","Present"
-"(1-Carboxycyclopropyl)-trimethyl-ammonium","","","","","","","","","","","","","","","","","","","","1-(Trimethylammonio)cyclopropanecarboxylate","","C[N+](C)(C)C1(CC1)C(=O)[O-]","MRCLCXHDEIYXER-UHFFFAOYSA-N","386200",NA,"PDBC03453","677917","Present"
-"(1-Cyano-1-methyl-ethyl) 2-diazo-3-oxo-butanoate","","","","","","","","","","","","","","","","","","","","1-[(2-Cyanopropan-2-yl)oxy]-2-diazonio-3-oxobut-1-en-1-olate","","CC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C#N","OVPMVOVVCQTDEO-UHFFFAOYSA-N","379176",NA,"PDBC03454","663587","Present"
-"(1-Cyclohexyl-3-(2-(hydroxy(oxido)amino)phenyl)-2-aziridinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","[1-Cyclohexyl-3-(2-nitrophenyl)aziridin-2-yl](phenyl)methanone","","C1CCC(CC1)N2C(C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]","OFIHBIHVNYDAGB-UHFFFAOYSA-N","227780",NA,"PDBC03455","19832","Present"
-"(1-Ethoxy-1-oxopropan-2-yl) 4-methylbenzoate","","","","","","","","","","","","","","","","","","","","(1-Ethoxy-1-oxopropan-2-yl) 4-methylbenzoate","","CCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)C","QYKVWRCALWZFLV-UHFFFAOYSA-N","357885",NA,"PDBC03456","617419","Present"
-"(1-Ethyl-4-hydroxypiperidin-4-yl)(phenyl)acetic acid","","","","","","","","","","","","","","","","","","","","(1-Ethyl-4-hydroxypiperidin-4-yl)(phenyl)acetic acid","","CCN1CCC(CC1)(C(C2=CC=CC=C2)C(=O)O)O","GSYPREKFRGJLNT-UHFFFAOYSA-N","226155",NA,"PDBC03457","16311","Present"
-"(1-Formyl-2,3-dihydroxy-4-trityloxy-butyl) 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","(1-Formyl-2,3-dihydroxy-4-trityloxy-butyl) 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OC(C=O)C(C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)O","QMQSVDQCFXTXAH-UHFFFAOYSA-N","367655",NA,"PDBC03458","637533","Present"
-"(1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinylidene)acetaldehyde","","","","","","","","","","","","","","","","","","","","(1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinylidene)acetaldehyde","","CC1(C(=CC=O)NC(N1O)(C)C)C","FFFPTAQXVPMEAA-ALCCZGGFSA-N","5468092",NA,"PDBC03459","663940","Present"
-"(1-Isopropyl-2-methyl-propyl) 5-(benzenecarbonothioylamino)-2-chloro-benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-chloro-5-[(phenylthioxomethyl)amino-, 2-...","","CC(C)C(C(C)C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CC=C2)Cl","RUBPYYAMNKUQEN-UHFFFAOYSA-N","3001012",NA,"PDBC03460","641626","Present"
-"(1-Methoxy-9H-carbazol-3-yl)methanol","","","","","","","","","","","","","","","","","","","","Koenoline","","COC1=CC(=CC2=C1NC3=CC=CC=C32)CO","KNKVHLASDDREQS-UHFFFAOYSA-N","375152",NA,"PDBC03461","654286","Present"
-"(1-Methoxycarbonylindol-2-yl)methyl-triphenylphosphanium;bromide","","","","","","","","","","","","","","","","","","","","{[1-(Methoxycarbonyl)-1H-indol-2-yl]methyl}(triphenyl)phosphonium bromide","","COC(=O)N1C2=CC=CC=C2C=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]","NDJOEQPJGHYZRI-UHFFFAOYSA-M","374850",NA,"PDBC03462","653276","Present"
-"(1-Methyl-1H-indol-3-YL)methanol","","","","","","","","","","","","","","","","","","","","AM806322","","CN1C=C(C2=CC=CC=C21)CO","LULITKYYLCRIIB-UHFFFAOYSA-N","23406",NA,"PDBC03463","67601","Present"
-"(1-Methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(1-Methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetic acid","","CN1C(=O)C2=C(N=CN2)N(C1=O)CC(=O)O","ACAUEEQITGAJIN-UHFFFAOYSA-N","367814",NA,"PDBC03464","637879","Present"
-"(1-Methyl-2-oxo-5H-indeno[1,2-b]pyridin-3-yl) acetate","","","","","","","","","","","","","","","","","","","","(1-Methyl-2-oxo-5H-indeno[1,2-b]pyridin-3-yl) acetate","","CC(=O)OC1=CC2=C(C3=CC=CC=C3C2)N(C1=O)C","VRBIIDNTTBKZBV-UHFFFAOYSA-N","394446",NA,"PDBC03465","697920","Present"
-"(1-Methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl) acetate","","","","","","","","","","","","","","","","","","","","(1-Methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl) acetate","","CC(=O)OC1=CC2=C(CCC2)N(C1=O)C","LSEFJURXRKPBMS-UHFFFAOYSA-N","394459",NA,"PDBC03466","697933","Present"
-"(1-Methyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate","","","","","","","","","","","","","","","","","","","","(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate","","CC#CC(C1=CC=CC=C1)(C(=O)OCC2=CCCN(C2)C)O","QQAMIRKRUWLITC-UHFFFAOYSA-N","380047",NA,"PDBC03467","665343","Present"
-"(1-Methyl-4-piperidyl) 2-hydroxy-5-methyl-2-(2-thienyl)hex-5-en-3-ynoate","","","","","","","","","","","","","","","","","","","","(1-Methyl-4-piperidyl) 2-hydroxy-5-methyl-2-(2-thienyl)hex-5-en-3-ynoate","","CC(=C)C#CC(C1=CC=CS1)(C(=O)OC2CCN(CC2)C)O","MHQFZGGOVJBXQV-UHFFFAOYSA-N","380362",NA,"PDBC03468","665885","Present"
-"(1-Methyl-6-oxo-1,6-dihydropyridine-3-yl)(benzo[c][2,7]naphthyridine-4-yl) ketone","","","","","","","","","","","","","","","","","","","","5-(Benzo[c][2,7]naphthyridin-4-ylcarbonyl)-1-methylpyridin-2(1h)-one","","CN1C=C(C=CC1=O)C(=O)C2=NC=CC3=C2C=NC4=CC=CC=C34","AGMRHCOVPCVBCM-UHFFFAOYSA-N","404067",NA,"PDBC03469","720185","Present"
-"(1-Methylindol-2-yl)-pyridin-4-ylmethanone","","","","","","","","","","","","","","","","","","","","Methanone, (1-methyl-1H-indol-2-yl)-4-pyridinyl-","","CN1C2=CC=CC=C2C=C1C(=O)C3=CC=NC=C3","DIDNNBTXXOKPAK-UHFFFAOYSA-N","289999",NA,"PDBC03470","152551","Present"
-"(1-Methylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC4357","","CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl","YDONEOQEWVKVBC-UHFFFAOYSA-N","2930547",NA,"PDBC03471","4357","Present"
-"(1-Methylpiperidin-3-yl) 6-(chloromethyl)-2-oxochromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","1-Methylpiperidin-3-yl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate","","CN1CCCC(C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","IEBIFFJTOVLWNM-UHFFFAOYSA-N","402510",NA,"PDBC03472","716537","Present"
-"(1-Methylquinolin-1-ium-7-yl) benzoate;iodide","","","","","","","","","","","","","","","","","","","","NSC682354","","C[N+]1=CC=CC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3.[I-]","YHSOSQOPJPNVRF-UHFFFAOYSA-M","387988",NA,"PDBC03473","682354","Present"
-"(1-Piperidin-1-ylcyclohexyl)-pyridin-2-ylmethanone","","","","","","","","","","","","","","","","","","","","[1-(1-Piperidyl)cyclohexyl]-(2-pyridyl)methanone","","C1CCC(CC1)(C(=O)C2=CC=CC=N2)N3CCCCC3","VYADQVMXQJHITO-UHFFFAOYSA-N","398095",NA,"PDBC03474","707460","Present"
-"(1-Piperidin-1-ylcyclohexyl)-thiophen-2-ylmethanimine;hydrochloride","","","","","","","","","","","","","","","","","","","","[1-(1-Piperidyl)cyclohexyl]-(2-thienyl)methanimine hydrochloride","","C1CCC(CC1)(C(=N)C2=CC=CS2)N3CCCCC3.Cl","ZTDQSNMIVSGZNC-UHFFFAOYSA-N","398718",NA,"PDBC03475","708860","Present"
-"(1-Tert-Butoxycarbonylamino-2-phenyl-ethyl)-carbamic acid methyl ester","","","","","","","","","","","","","","","","","","","","(1-Tert-Butoxycarbonylamino-2-phenyl-ethyl)-carbamic acid methyl ester","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)NC(=O)OC","SPDSSLVSUXCAKH-UHFFFAOYSA-N","381630",NA,"PDBC03476","668452","Present"
-"(1-Tert-Butoxycarbonylamino-ethyl)-carbamic acid benzyl ester","","","","","","","","","","","","","","","","","","","","(1-Tert-Butoxycarbonylamino-ethyl)-carbamic acid benzyl ester","","CC(NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C","CMCNCUNSYCAMND-UHFFFAOYSA-N","381632",NA,"PDBC03477","668454","Present"
-"(1-Tert-butylazetidin-3-yl) carbamate","","","","","","","","","","","","","","","","","","","","(1-Tert-butylazetidin-3-yl) carbamate","","CC(C)(C)N1CC(C1)OC(=O)N","RCCMFJATAAXGHZ-UHFFFAOYSA-N","307963",NA,"PDBC03478","206630","Present"
-"(1.frdarw.3)-.alpha.-D-mannopyranan","","","","","","","","","","","","","","","","","","","","(1.frdarw.3)-.alpha.-D-mannopyranan","","","","",NA,"PDBC03479","625662","Present"
-"(10,10-Dioxophenoxathiin-2-yl)methyl carbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC691901","","C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)CSC(=N)N.Cl","OBCHTXXRCHNECI-UHFFFAOYSA-N","392090",NA,"PDBC03480","691901","Present"
-"(10-Acetyloxy-2-tetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaenyl) acetate","","","","","","","","","","","","","","","","","","","","(10-Acetyloxy-2-tetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaenyl) acetate","","CC(=O)OC1C2C3=CC=CC=C3C2(CC4=CC=CC=C14)OC(=O)C","QILKONMDKUVPBN-UHFFFAOYSA-N","275814",NA,"PDBC03481","122896","Present"
-"(10-Benzoyl-5-methyl-10,11-dihydro-5H-pyrrolo[1,2-b][1,2,5]benzotriazepin-11-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(5-Benzoyl-10-methyl-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl)acetic acid","","CN1C2=CC=CC=C2N(C(C3=CC=CN31)CC(=O)O)C(=O)C4=CC=CC=C4","KQJDYJBNQCGBPQ-UHFFFAOYSA-N","370732",NA,"PDBC03482","644251","Present"
-"(10-Methylanthracen-9-yl)methyl carbamimidothioate hydrochloride","","","","","","","","","","","","","","","","","","","","Pseudourea, 2-[(10-methyl-9-anthryl)methyl]-2-thio-, mon...","","CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSC(=N)N.Cl","VIBMUYOXJUCEMA-UHFFFAOYSA-N","16759161",NA,"PDBC03483","146109","Present"
-"(10-methyl-anthracen-9-yl-methylene-hydrazinocarbonylmet...","","","","","","","","","","","","","","","","","","","","(10-methyl-anthracen-9-yl-methylene-hydrazinocarbonylmet...","","CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C=NNC(=O)CSCC(=O)NN=CC4=C5C=CC=CC5=C(C6=CC=CC=C64)C","BPQKRZGNIIZLIA-RIOOQTRLSA-N","9572689",NA,"PDBC03484","724341","Present"
-"(10As)-10-Thioxo-1,2,3,9,10,10a-hexahydro-4H-3a,9-diazabenzo[f]azulene-4-one","","","","","","","","","","","","","","","","","","","","(6As)-6-sulfanylidene-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one","","C1CC2C(=S)NC3=CC=CC=C3C(=O)N2C1","BZHZJGWHSFMMMN-JTQLQIEISA-N","5470551",NA,"PDBC03485","703015","Present"
-"(10E)-10-(Benzhydrylidenehydrazinylidene)phenanthren-9-one","","","","","","","","","","","","","","","","","","","","(10E)-10-(Benzhydrylidenehydrazinylidene)phenanthren-9-one","","C1=CC=C(C=C1)C(=NN=C2C3=CC=CC=C3C4=CC=CC=C4C2=O)C5=CC=CC=C5","AEKFBNIVRZUCFQ-PBBVDAKRSA-N","5834467",NA,"PDBC03486","406431","Present"
-"(10E)-10-(Pyridin-2-ylmethylidene)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione","","","","","","","","","","","","","","","","","","","","(10E)-10-(Pyridin-2-ylmethylidene)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione","","C1=CC=NC(=C1)C=C2C=C3C4=C(C2=O)C=CC=C4C(=O)O3","KUSUTJFEGJVOPV-CSKARUKUSA-N","5468621",NA,"PDBC03487","672907","Present"
-"(10E)-10-[(4-Methylphenyl)methylidene]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione","","","","","","","","","","","","","","","","","","","","(10E)-10-[(4-Methylphenyl)methylidene]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione","","CC1=CC=C(C=C1)C=C2C=C3C4=C(C2=O)C=CC=C4C(=O)O3","UMRILSLRJHMMSU-UKTHLTGXSA-N","5468448",NA,"PDBC03488","670556","Present"
-"(10E)-10-[(4-Nitrophenyl)methylidene]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione","","","","","","","","","","","","","","","","","","","","(10E)-10-[(4-Nitrophenyl)methylidene]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione","","C1=CC2=C3C(=C1)C(=O)OC3=CC(=CC4=CC=C(C=C4)[N+](=O)[O-])C2=O","KHKXRTOHHSKYNA-DHZHZOJOSA-N","5468620",NA,"PDBC03489","672906","Present"
-"(10E)-11-(2-Chlorophenyl)-1-phenyl-9-oxa-2-thia-5,10-diazadodec-10-en-7-ol","","","","","","","","","","","","","","","","","","","","(10E)-11-(2-Chlorophenyl)-1-phenyl-9-oxa-2-thia-5,10-diazadodec-10-en-7-ol","","CC(=NOCC(CNCCSCC1=CC=CC=C1)O)C2=CC=CC=C2Cl","OWCXOARYKZIWND-XQNSMLJCSA-N","13399668",NA,"PDBC03490","382270","Present"
-"(10E)-6-(3,4,5-Trimethoxyphenyl)-10-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,6a,7,8,9-hexahydrobenzo[b][1,4]benzodiazepine","","","","","","","","","","","","","","","","","","","","(4E,4aE)-4-(3,4,5-trimethoxybenzylidene)-11-(3,4,5-trime...","","COC1=CC(=CC(=C1OC)OC)C=C2CCCC3C2=NC4=CC=CC=C4NC3C5=CC(=C(C(=C5)OC)OC)OC","FTECDNOFJKHBOG-XSFVSMFZSA-N","155808086",NA,"PDBC03491","763273","Present"
-"(10E)-6-(4-Chlorophenyl)-10-[(4-chlorophenyl)methylidene]-5,6,6a,7,8,9-hexahydrobenzo[b][1,4]benzodiazepine","","","","","","","","","","","","","","","","","","","","(4E,4aE)-4-(4-chlorobenzylidene)-11-(4-chlorophenyl)-2,3...","","C1CC2C(NC3=CC=CC=C3N=C2C(=CC4=CC=C(C=C4)Cl)C1)C5=CC=C(C=C5)Cl","LQKIXZKXLFKWJB-KNTRCKAVSA-N","155804956",NA,"PDBC03492","763271","Present"
-"(10E)-7-Hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one","","","","","","","","","","","","","","","","","","","","(10E)-7-Hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one","","CC1C2CCC(=C)C(CCC(=CC2OC1=O)C)O","LEXBBZCFWJNTGC-CMDGGOBGSA-N","13821240",NA,"PDBC03493","726176","Present"
-"(10E,12Z)-10,12-Octadecadienoic acid methyl ester","","","","","","","","","","","","","","","","","","","","trans-10, cis-12 octadecadienoic acid, methyl ester","","CCCCCC=CC=CCCCCCCCCC(=O)OC","KMXSXYSNZMSDFK-UQGDGPGGSA-N","5471014",NA,"PDBC03494","707238","Present"
-"(10S)-3,10-Dimethyl-8-methylsulfanyl-4-phenyl-5-(3-piperidin-1-ylpropyl)-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one","","","","","","","","","","","","","","","","","","","","(10S)-3,10-Dimethyl-8-methylsulfanyl-4-phenyl-5-(3-piperidin-1-ylpropyl)-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one","","CC1CC(=O)N=C2N1C(=NC3=C2C(=C(N3CCCN4CCCCC4)C5=CC=CC=C5)C)SC","XWYUCFJURDRGHK-SFHVURJKSA-N","54613121",NA,"PDBC03495","748289","Present"
-"(10S,11R,15S)-17-Methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione","","","","","","","","","","","","","","","","","","","","(10S,11R,15S)-17-Methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione","","CC1=C2C(C3CCOC3O1)C(=O)C4=CC=CC=C4C2=O","GNAKOCUQEFTIJE-FFSVYQOJSA-N","54611664",NA,"PDBC03496","722394","Present"
-"(10S,11S,15S)-15-Ethoxy-17-methyl-16-oxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione","","","","","","","","","","","","","","","","","","","","(10S,11S,15S)-15-Ethoxy-17-methyl-16-oxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione","","CCOC12CCCC1C3C(=C(O2)C)C(=O)C4=CC=CC=C4C3=O","FYMFFKXIHWNLIT-QOKNQOGYSA-N","405256",NA,"PDBC03497","722388","Present"
-"(11-((4-Hydroxy-3-methoxybenzoyl)oxy)undecyl)triphenylphosphonium","","","","","","","","","","","","","","","","","","","","Mito-apocyanin (C11)","","COC1=C(C=CC(=C1)C(=O)OCCCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O","IPYVPVIBAGRGSO-UHFFFAOYSA-O","49802418",NA,"PDBC03498","775613","Present"
-"(11-Methoxy-2-oxo-4,5,6,7,7a,8-hexahydro-3H-phenanthro[9,8a-b]pyrrol-12-yl) acetate","","","","","","","","","","","","","","","","","","","","(11-Methoxy-2-oxo-4,5,6,7,7a,8-hexahydro-3H-phenanthro[9,8a-b]pyrrol-12-yl) acetate","","CC(=O)OC1=C(C=CC2=C1C3=CC(=O)CCC34CCNC4C2)OC","ITOZXSNVASSYGQ-UHFFFAOYSA-N","356119",NA,"PDBC03499","611212","Present"
-"(11As)-2-[2-Oxo-2-[3-(1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-2-yl)propylamino]ethylidene]-7-methoxy-8-(benzyloxy)-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one","","","","","","","","","","","","","","","","","","","","2-5-[8-bezyloxy-7-methoxy-5-oxo-(11aS)-1H,2H,3H,5H-bezo[...","","COC1=C(C=C2C(=C1)C(=O)N3CC(=CC(=O)NCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)CC3C=N2)OCC7=CC=CC=C7","UBENMYCIDBVLAH-FCYPAOMHSA-N","24202798",NA,"PDBC03500","725981","Present"
-"(11As)-7-Methoxy-8-(3-morpholinopropoxy)-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one","","","","","","","","","","","","","","","","","","","","7-methoxy-8-[3-(1,4-oxazinan-4-yl)propoxy-(11aS)-2,3,5,1...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4CCOCC4","JRLQATIABHKHSA-HNNXBMFYSA-N","403927",NA,"PDBC03501","719667","Present"
-"(11As)-7-Methoxy-8-[2-(methylsulfonyloxy)ethoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one","","","","","","","","","","","","","","","","","","","","2-[7-methoxy-5-oxo-(11aS)-2,3,511a-tetrahydro-1H-benzo[e...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCOS(=O)(=O)C","FCWHJANEFNPUIU-NSHDSACASA-N","406090",NA,"PDBC03502","724008","Present"
-"(11As)-7-Methoxy-8-[3-(4-methylpiperazino)propoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one","","","","","","","","","","","","","","","","","","","","7-methoxy-8-[3-(4-methylhexahydro-1-pyrazinyl)propoxyl -...","","CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC","DAAQBVONDJCFEB-INIZCTEOSA-N","403925",NA,"PDBC03503","719665","Present"
-"(11As)-7-Methoxy-8-[3-(diethylamino)propoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one","","","","","","","","","","","","","","","","","","","","8-[3-diethylaminopropoxyl-7-methoxy-(11aS)-2,3,5,11a -te...","","CCN(CC)CCCOC1=C(C=C2C(=C1)N=CC3CCCN3C2=O)OC","SOCRNCWWGVLTJY-HNNXBMFYSA-N","403926",NA,"PDBC03504","719666","Present"
-"(11As)-7-Methoxy-8-[3-(methylsulfonyloxy)propoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one","","","","","","","","","","","","","","","","","","","","3-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-tetrahydro-1H-benxo[...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCOS(=O)(=O)C","ONUWKIHUDIFIBM-LBPRGKRZSA-N","406091",NA,"PDBC03505","724009","Present"
-"(11As)-7-Methoxy-8-[4-oxo-4-(1-pyrenylamino)butoxy]-2,3,5,11abeta-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one","","","","","","","","","","","","","","","","","","","","4-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-N-pyren-1-ylbutanamide","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCC(=O)NC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4","XOQUFJSVWGYLOM-QHCPKHFHSA-N","9893243",NA,"PDBC03506","726260","Present"
-"(11As)-7-Methoxy-8-[5-oxo-5-(chrysene-6-ylamino)pentoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one","","","","","","","","","","","","","","","","","","","","5-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-N-chrysen-6-ylpentanamide","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCC(=O)NC4=CC5=C(C=CC6=CC=CC=C65)C7=CC=CC=C74","QZDNCYWWSBWICE-DEOSSOPVSA-N","11757768",NA,"PDBC03507","726259","Present"
-"(11As)-7-methoxy-8-(4-2-methoxy-4-[5-(3,5-trimethoxyphenyl)-4,5-dihydro-3-isoxazolyl]phenoxybutoxy)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","(11aS)-7-methoxy-8-(4-2-methoxy-4-[5-(3,4,5-trimethoxyph...","","COC1=CC(=CC(=C1OC)OC)C2CC(=NO2)C3=CC(=C(C=C3)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","JNOMYAFGRADGOL-CTLOQAHHSA-N","44224281",NA,"PDBC03508","744336","Present"
-"(11As)-7-methoxy-8-(4-2-methoxy-5-[3-(3,5-trimethoxyphenyl)-4,5-dihydro-5-isoxazolyl]phenoxybutoxy)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","(11aS)-7-methoxy-8-(4-2-methoxy-5-[3-(3,4,5-trimethoxyph...","","COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","DPYUJKQDLJBHMB-CTLOQAHHSA-N","45028799",NA,"PDBC03509","744335","Present"
-"(11As)-7-methoxy-8-(5-[4-(4-quinazolinyl)piperazino]pentyloxy)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","(11aS)-7-methoxy-8-(5-[4-(4-quinazolinyl)piperazino]pent...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4CCN(CC4)C5=NC=NC6=CC=CC=C65","QDKRGBUDNUCBGJ-UHFFFAOYSA-N","45028548",NA,"PDBC03510","743135","Present"
-"(11As)-7-methoxy-8-3-[4-(4-quinazolinyl)piperazino]propoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5-one","","","","","","","","","","","","","","","","","","","","(11aS)-7-methoxy-8-3-[4-(4-quinazolinyl)piperazino]propo...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4CCN(CC4)C5=NC=NC6=CC=CC=C65","ZOMBISVGMSQISI-UHFFFAOYSA-N","45028540",NA,"PDBC03511","743121","Present"
-"(11As)-7-methoxy-8-[3-(2-methoxy-4-(E)-3-oxo-3-[4-(3,5-trimethoxybenzoyl)piperazino]-1-propenylphenoxy)propoxy]-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","(11aS)-7-methoxy-8-[3-(2-methoxy-4-(E)-3-oxo-3-[4-(3,4,5...","","COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)OCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","PJJRQEJQCFPFNT-LNMUWQJVSA-N","45029287",NA,"PDBC03512","746032","Present"
-"(11As)-7-methoxy-8-[3-(4-{3-[(7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","(11aS)-7-methoxy-8-[3-(4-{3-[(7-methoxy-2,2-dimethyl-2H-...","","CC1(C=CC2=CC(=C(C=C2O1)OC)OCCCN3CCN(CC3)CCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)C","AUSABBPUVJJYMF-SANMLTNESA-N","45028794",NA,"PDBC03513","744329","Present"
-"(11As)-8-(3-[(11aS)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropoxy)-2,2-difluoro-7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","(11aS)-8-(3-[(11aS)-2,2-difluoro-7-methoxy-5-oxo-2,3,5,1...","","COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)(F)F)OCCCOC4=C(C=C5C(=C4)N=CC6CC(CN6C5=O)(F)F)OC","HWXGXRCAHRQTKR-IRXDYDNUSA-N","24780427",NA,"PDBC03514","741459","Present"
-"(11As)-8-(3-{4-[(E)-3-(2-hydroxyphenyl)-3-oxo-1-propenyl]-2-methoxyphenoxy}propoxy)-7-methoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","(11aS)-8-(3-{4-[(E)-3-(2-hydroxyphenyl)-3-oxo-1-propenyl...","","COC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2O)OCCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC","IFVRGFMZYKIFQI-YUAYGMJFSA-N","24863867",NA,"PDBC03515","744023","Present"
-"(11As)-8-[(5-2-[4-(benzyloxy)phenyl]-6-morpholino-1H-benzo[d]imidazol-1-ylpentyl)oxy]-7-methoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","(11aS)-8-[(5-2-[4-(benzyloxy)phenyl]-6-morpholino-1H-ben...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4C5=C(C=C(C=C5)N6CCOCC6)N=C4C7=CC=C(C=C7)OCC8=CC=CC=C8","HWEKFJXMKSCVKS-XIFFEERXSA-N","45028741",NA,"PDBC03516","744018","Present"
-"(11As)-8-[3-(4-6-[4-(3-[(11aR)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropoxy)phenyl]-[(4-methylphenyl)sulphonyl]-9H-3-carbazolylphenoxy)propoxy]-7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","(11aS)-8-[3-(4-6-[4-(3-[(11aR)-7-methoxy-5-oxo-2,3,5,11a...","","CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)OCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC)C8=C2C=CC(=C8)C9=C=C=C(C=C9)OCCCOC1=C(C=C2C(=C1)N=CC1CCCN1C2=O)OC","PCIPXGSJKWTRII-ZYBCLOSLSA-N","45028944",NA,"PDBC03517","744991","Present"
-"(11Bs)-4-(2-hydroxyethyl)-4,4a,5,11b-tetrahydro-3H-[1,3]dioxolo[4,5-j]phenanthridin-6-one","","","","","","","","","","","","","","","","","","","","(11Bs)-4-(2-hydroxyethyl)-3,4a,5,11b-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(4H)-one","","C1C=CC2C(C1CCO)NC(=O)C3=CC4=C(C=C23)OCO4","MHLPRVLDJATVNE-VOZQYIJBSA-N","375352",NA,"PDBC03518","654977","Present"
-"(11E)-11-(4-Chlorobutylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one","","","","","","","","","","","","","","","","","","","","(11E)-11-(4-Chlorobutylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCl)C4=CC5=C(C=C42)OCO5","HOJFDDZDJXTKPO-AWNIVKPZSA-N","5472243",NA,"PDBC03519","717200","Present"
-"(11E)-11-(6-Bromohexylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one","","","","","","","","","","","","","","","","","","","","11-(6'-Bromohexylidene)-5,6-dihydro-2,3-dimethoxy-6-meth...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCCBr)C4=CC5=C(C=C42)OCO5","AGMYPZSHWNZLEM-OVCLIPMQSA-N","5472441",NA,"PDBC03520","718738","Present"
-"(11E)-15-(Furan-2-yl)-1-oxacyclopentadec-11-en-2-one","","","","","","","","","","","","","","","","","","","","(11E)-15-(Furan-2-yl)-1-oxacyclopentadec-11-en-2-one","","C1CCCCC(=O)OC(CCC=CCCC1)C2=CC=CO2","YPJPLFFXGCTHJF-FNORWQNLSA-N","11994094",NA,"PDBC03521","735216","Present"
-"(11R)-11-[(1R,2S)-1-(Methoxycarbonyl)-2-hydroxyheptyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid lactone","","","","","","","","","","","","","","","","","","","","Methyl (2S,3R,4R)-5-oxo-2-pentylspiro[oxolane-4,15'-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene]-3-carboxylate","","CCCCCC1C(C2(CC3C4=CC=CC=C4C2C5=CC=CC=C35)C(=O)O1)C(=O)OC","LUTKLNSELJYLCP-ISBFOORQSA-N","400062",NA,"PDBC03522","711470","Present"
-"(11R,15S,17S)-17-Hydroxy-17-methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione","","","","","","","","","","","","","","","","","","","","(11R,15S,17S)-17-Hydroxy-17-methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione","","CC1(C2=C(C3CCOC3O1)C(=O)C4=CC=CC=C4C2=O)O","XLXQEYKWUDECRE-VFVAKGGASA-N","54611681",NA,"PDBC03523","722390","Present"
-"(11R,15S,17S)-17-Methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione","","","","","","","","","","","","","","","","","","","","(11R,15S,17S)-17-Methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione","","CC1C2=C(C3CCOC3O1)C(=O)C4=CC=CC=C4C2=O","LRTQSQVCOFGTEF-XLNKKQEUSA-N","54611663",NA,"PDBC03524","722392","Present"
-"(11Z)-11-(5-Bromopentylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one","","","","","","","","","","","","","","","","","","","","11-(5'-Bromopentylidine)-5,6-dihydro-2,3-dimethoxy-6-met...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCBr)C4=CC5=C(C=C42)OCO5","SQENEFJLFQRMKV-AUWJEWJLSA-N","5472472",NA,"PDBC03525","719162","Present"
-"(11Z)-11-[(4-Bromophenyl)methylidene]-3,5-diethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione","","","","","","","","","","","","","","","","","","","","(Z)-7-(4-bromobenzylidene)-1,3-diethyl-1,3a,4,9a-tetrahy...","","CCN1C2C(N(C1=O)CC)N3C(=O)C(=CC4=CC=C(C=C4)Br)SC3=NN2","GVKHZFYVDCQFOG-XFXZXTDPSA-N","155815700",NA,"PDBC03526","803205","Present"
-"(11Z)-14-(Furan-2-yl)-1-oxacyclotetradec-11-en-2-one","","","","","","","","","","","","","","","","","","","","(11Z)-14-(Furan-2-yl)-1-oxacyclotetradec-11-en-2-one","","C1CCCCC(=O)OC(CC=CCCC1)C2=CC=CO2","IKLIDANFHXMHER-VURMDHGXSA-N","11994738",NA,"PDBC03527","735215","Present"
-"(11Z)-3,5-Diethyl-11-(2-oxo-1-prop-2-enylindol-3-ylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione","","","","","","","","","","","","","","","","","","","","(Z)-7-(1-allyl-2-oxoindolin-3-ylidene)-1,3-diethyl-1,3a,...","","CCN1C2C(N(C1=O)CC)N3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC=C)SC3=NN2","TWKINMOTSUUZOA-PFONDFGASA-N","155811052",NA,"PDBC03528","803209","Present"
-"(11Z)-3,5-Diethyl-11-(2-oxo-1-propan-2-ylindol-3-ylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione","","","","","","","","","","","","","","","","","","","","(Z)-1,3-diethyl-7-(1-isopropyl-2-oxoindolin-3-ylidene)-1...","","CCN1C2C(N(C1=O)CC)N3C(=O)C(=C4C5=CC=CC=C5N(C4=O)C(C)C)SC3=NN2","OIUOJZJONIMIOP-PFONDFGASA-N","155811115",NA,"PDBC03529","799674","Present"
-"(11Z)-3,5-Diethyl-11-(furan-2-ylmethylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione","","","","","","","","","","","","","","","","","","","","(Z)-1,3-diethyl-7-(furan-2-ylmethylene)-1,3a,4,9a-tetrah...","","CCN1C2C(N(C1=O)CC)N3C(=O)C(=CC4=CC=CO4)SC3=NN2","PWICDZUYUAIKPV-NTMALXAHSA-N","155814219",NA,"PDBC03530","803212","Present"
-"(11Z)-3,5-Dimethyl-11-[[4-(trifluoromethyl)phenyl]methylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione","","","","","","","","","","","","","","","","","","","","(Z)-1,3-dimethyl-7-(4-(trifluoromethyl)benzylidene)-1,3a...","","CN1C2C(N(C1=O)C)N3C(=O)C(=CC4=CC=C(C=C4)C(F)(F)F)SC3=NN2","MNNWKCCCJBKURB-YFHOEESVSA-N","155812593",NA,"PDBC03531","803211","Present"
-"(11Z)-N,9-Dimethoxy-11-methoxyiminoindeno[1,2-c]quinolin-6-amine","","","","","","","","","","","","","","","","","","","","(11Z)-N,9-Dimethoxy-11-methoxyiminoindeno[1,2-c]quinolin-6-amine","","COC1=CC2=C(C=C1)C3=C(C2=NOC)C4=CC=CC=C4N=C3NOC","LUQCLZAWHFUFPP-UZYVYHOESA-N","24205237",NA,"PDBC03532","734655","Present"
-"(11beta,17beta)-17-Hydroperoxy-11-[3,4-(methylenedioxy)p...","","","","","","","","","","","","","","","","","","","","(11beta,17beta)-17-Hydroperoxy-11-[3,4-(methylenedioxy)p...","","","","",NA,"PDBC03533","791572","Present"
-"(12Br)-4a-hydroxy-9-methoxy-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","","","","","","","","","","","","","","","","","","","","(12Br)-4a-hydroxy-9-methoxy-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","","COC1=C2C3=C(CC4C5(C3(CCN4)C(O2)C(=O)C=C5)O)C=C1","WCEICHOCRFRVDG-YFVDEALNSA-N","399905",NA,"PDBC03534","711041","Present"
-"(12R)-18-Methoxy-13-methyl-19-(1-phenyltetrazol-5-yl)oxy-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(20),2(10),3(7),8,16,18-hexaene","","","","","","","","","","","","","","","","","","","","(12R)-18-Methoxy-13-methyl-19-(1-phenyltetrazol-5-yl)oxy-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(20),2(10),3(7),8,16,18-hexaene","","CN1CCC2=CC(=C(C3=C2C1CC4=C3C5=C(C=C4)OCO5)OC6=NN=NN6C7=CC=CC=C7)OC","ZJKPYIQIZSTUHK-GOSISDBHSA-N","401794",NA,"PDBC03535","715524","Present"
-"(12R)-6,8,18-Trioxa-13-azapentacyclo[10.5.1.01,14.03,11.05,9]octadeca-3,5(9),10-trien-2-one","","","","","","","","","","","","","","","","","","","","(12R)-6,8,18-Trioxa-13-azapentacyclo[10.5.1.01,14.03,11.05,9]octadeca-3,5(9),10-trien-2-one","","C1CC2C3(C1)C(=O)C4=CC5=C(C=C4C(N2)O3)OCO5","APJLGROTJSAOAA-HRDQMINSSA-N","6711329",NA,"PDBC03536","619174","Present"
-"(12R,16S)-3',4'-Dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione","","","","","","","","","","","","","","","","","","","","(12R,16S)-3',4'-Dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione","","CC1(C=CC2=C(O1)C=CC3=C2OC4COC5(C4C3=O)C=C(C(=CC5=O)OC)OC)C","SEEWCETYCHIPHH-OECOBVRJSA-N","372062",NA,"PDBC03537","646926","Present"
-"(12Z)-3,4,6-Trimethoxy-5,13-dimethyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-thione","","","","","","","","","","","","","","","","","","","","(12Z)-3,4,6-Trimethoxy-5,13-dimethyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-thione","","CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)NC(=S)C(C2)N3C)C(=C1OC)OC)OC","VPEFRPWQRUAKGB-YVLHZVERSA-N","5387238",NA,"PDBC03538","622080","Present"
-"(13As,14S)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol","","","","","","","","","","","","","","","","","","","","Dibenzo[f,h]pyrrolo[1,2-b]isoquinolin-14-ol, 9,11,12,13,...","","COC1=C(C=C2C(=C1)C3=C(C(C4CCCN4C3)O)C5=CC(=C(C=C25)OC)OC)OC","JWHWLMNMGLICQZ-MHECFPHRSA-N","402628",NA,"PDBC03539","716802","Present"
-"(13Br)-2-chloro-5-methyl-6-propan-2-yl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazoline","","","","","","","","","","","","","","","","","","","","(13Br)-2-chloro-5-methyl-6-(1-methylethyl)-5,8,9,13b-tetrahydro-6h-isoquino[2,1-c]quinazoline","","CC(C)C1N(C2=C(C=C(C=C2)Cl)C3N1CCC4=CC=CC=C34)C","XBSDRVLMVXVBCE-FIWHBWSRSA-N","403690",NA,"PDBC03540","718879","Present"
-"(13R)-1alpha,6beta,7beta-Triacetoxy-9-hydroxy-8,13-epoxylabda-14-ene-11-one","","","","","","","","","","","","","","","","","","","","[(3R,4Ar,5S,6S,6aS,10S,10aR,10bS)-5,6-diacetyloxy-3-ethenyl-10b-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10-yl] acetate","","CC(=O)OC1CCC(C2C1(C3(C(=O)CC(OC3(C(C2OC(=O)C)OC(=O)C)C)(C)C=C)O)C)(C)C","UVRUOGMAOOKEHN-XMGVQCCFSA-N","396204",NA,"PDBC03541","701756","Present"
-"(13R,17R)-13-Methyl-17-[(2R)-6-methylheptan-2-yl]-5,6,9,10,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,4-dione","","","","","","","","","","","","","","","","","","","","(13R,17R)-13-Methyl-17-[(2R)-6-methylheptan-2-yl]-5,6,9,10,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,4-dione","","CC(C)CCCC(C)C1CCC2C1(CCC3C2=CCC4C3C(=O)C=CC4=O)C","NDOXBXQOMXCQJK-ZFMKNYSTSA-N","54613423",NA,"PDBC03542","750440","Present"
-"(13S,15S)-9-Bromo-15-(2-chlorophenyl)-16-oxa-1-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2(11),3,5,7,9-pentaene","","","","","","","","","","","","","","","","","","","","7-bromo-2-exo-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-ep...","","C1C2CC3=C(C4=CC=CC=C4C(=C3)Br)N(C1C5=CC=CC=C5Cl)O2","OAYDPJZXYZUTKH-DJJJIMSYSA-N","155814437",NA,"PDBC03543","755040","Present"
-"(13S,17S)-17-[2-[4-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol","","","","","","","","","","","","","","","","","","","","(13S,17S)-17-[2-[4-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol","","CC12CCC3C(C1CCC2(C#CC4=CC=C(C=C4)C#CC=CC#CC5=CC=CC=C5N)O)CCC6=C3C=CC(=C6)O","PXSFENQINMHMIC-LTDKXCTPSA-N","24203773",NA,"PDBC03544","729470","Present"
-"(13Z)-13-(Pyridin-2-ylmethylidene)-4,7-dioxa-14-thia-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),9,15-tetraen-12-one","","","","","","","","","","","","","","","","","","","","(13Z)-13-(Pyridin-2-ylmethylidene)-4,7-dioxa-14-thia-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),9,15-tetraen-12-one","","C1COC2=C(O1)C=C3C(=C2)N4C(=O)C(=CC5=CC=CC=N5)SC4=N3","IZSFWOOVKAQDAG-CHHVJCJISA-N","5470121",NA,"PDBC03545","697787","Present"
-"(13Z)-15-Ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,13,16-hexaene","","","","","","","","","","","","","","","","","","","","(13Z)-15-Ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,13,16-hexaene","","CCC12CN(CCC3=C(C=C1)NC4=CC=CC=C34)CC=C2","MSGYVJRBNLKUPF-FLIBITNWSA-N","5467028",NA,"PDBC03546","646969","Present"
-"(14R)-11,15-Dimethoxy-5-methyl-13-oxa-5,18,19-triazaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,22-tetraene-17,20-dione","","","","","","","","","","","","","","","","","","","","(14R)-11,15-Dimethoxy-5-methyl-13-oxa-5,18,19-triazaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,22-tetraene-17,20-dione","","CN1CCC23C4C5(C=CC2(C1CC6=C3C(=C(C=C6)OC)O4)C7C5C(=O)NNC7=O)OC","AFJWFELZLJUDQA-JHAOIRJCSA-N","398688",NA,"PDBC03547","708837","Present"
-"(14R)-11,15-Dimethoxy-5-methyl-18-phenyl-13-oxa-5,18-diazaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11,21-tetraene-17,19-dione","","","","","","","","","","","","","","","","","","","","(14R)-11,15-Dimethoxy-5-methyl-18-phenyl-13-oxa-5,18-diazaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11,21-tetraene-17,19-dione","","CN1CCC23C4C5(C=CC2(C1CC6=C3C(=C(C=C6)OC)O4)C7C5C(=O)N(C7=O)C8=CC=CC=C8)OC","HOPYOUDXKXJONB-HZNQOFPLSA-N","398697",NA,"PDBC03548","708844","Present"
-"(14R,15R)-11,15-Dimethoxy-5,14-dimethyl-13-oxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,16,18,20,22-heptaene-17,20-diol","","","","","","","","","","","","","","","","","","","","(14R,15R)-11,15-Dimethoxy-5,14-dimethyl-13-oxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,16,18,20,22-heptaene-17,20-diol","","CC12C34CCN(C(C35C=CC1(C6=C(C=CC(=C56)O)O)OC)CC7=C4C(=C(C=C7)OC)O2)C","QMJLOWCMXXVLQW-BGYFKORMSA-N","371882",NA,"PDBC03549","646464","Present"
-"(14R,15R)-15-Methyl-14-[(2R)-6-methylheptan-2-yl]-2,7-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-4,9-diene-3,6-dione","","","","","","","","","","","","","","","","","","","","(14R,15R)-15-Methyl-14-[(2R)-6-methylheptan-2-yl]-2,7-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-4,9-diene-3,6-dione","","CC(C)CCCC(C)C1CCC2C1(CCC3C2=CCN4N3C(=O)C=CC4=O)C","OSKWPXWEGHYFGQ-BHVDBZJUSA-N","54613624",NA,"PDBC03550","750441","Present"
-"(15Z,21Z)-2,10-Dioxa-16,17,20,21,30-pentazatetracyclo[21.2.2.211,14.14,8]triaconta-1(26),4(30),5,7,11,13,15,21,23(27),24,28-undecaene-18,19-dione","","","","","","","","","","","","","","","","","","","","(15Z,21Z)-2,10-Dioxa-16,17,20,21,30-pentazatetracyclo[21.2.2.211,14.14,8]triaconta-1(26),4(30),5,7,11,13,15,21,23(27),24,28-undecaene-18,19-dione","","C1C2=NC(=CC=C2)COC3=CC=C(C=C3)C=NNC(=O)C(=O)NN=CC4=CC=C(O1)C=C4","OBCAQPLOYLYZET-CPGLPWGESA-N","9572515",NA,"PDBC03551","718898","Present"
-"(16-Acetyloxy-20-benzyl-10,14-dimethyl-19,21-dioxo-20-azahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-4,15-dien-7-yl) acetate","","","","","","","","","","","","","","","","","","","","(16-Acetyloxy-20-benzyl-10,14-dimethyl-19,21-dioxo-20-azahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-4,15-dien-7-yl) acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4=C(CC6C5C(=O)N(C6=O)CC7=CC=CC=C7)OC(=O)C)C)C","LSSPIOYZZCPTLA-UHFFFAOYSA-N","250204",NA,"PDBC03552","69294","Present"
-"(16-Oxo-16-prop-2-enoxyhexadecyl) (4aR,7S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-1-oxo-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","(16-Oxo-16-prop-2-enoxyhexadecyl) (4aR,7S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-1-oxo-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-4a,5,6,7-tetrahydro-2H-p","","CCC(C=CCCC1(OCCO1)CC2CCC3N2C(=O)NC(=C3C(=O)OCCCCCCCCCCCCCCCC(=O)OCC=C)CCCC(C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C","VALIMKUNPLWQIB-VLFQUQIDSA-N","5470390",NA,"PDBC03553","700562","Present"
-"(16-Oxo-16-prop-2-enoxyhexadecyl) (4aS,7S)-1-amino-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","(16-Oxo-16-prop-2-enoxyhexadecyl) (4aS,7S)-1-amino-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-4a,5,6,7-tetrahydropyr","","CCC(C=CCCC1(OCCO1)CC2CCC3N2C(=NC(=C3C(=O)OCCCCCCCCCCCCCCCC(=O)OCC=C)CCCC(C)O[Si](C)(C)C(C)(C)C)N)O[Si](C(C)C)(C(C)C)C(C)C.Cl","CRZRMIGJRCMDHA-VVILWOSTSA-N","5470386",NA,"PDBC03554","700560","Present"
-"(16-Oxo-16-prop-2-enoxyhexadecyl) (7S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-1-oxo-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","(16-Oxo-16-prop-2-enoxyhexadecyl) (7S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-1-oxo-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c","","CCC(C=CCCC1(OCCO1)CC2CCC3=C(C(=NC(=O)N23)CCCC(C)O[Si](C)(C)C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCC(=O)OCC=C)O[Si](C(C)C)(C(C)C)C(C)C","RRQUKHUCOAQGOL-MCKCYOIJSA-N","5470391",NA,"PDBC03555","700563","Present"
-"(16E)-16-Hydroxyimino-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol","","","","","","","","","","","","","","","","","","","","(16E)-16-Hydroxyimino-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol","","CC12CCC3C(C1CC(=NO)C2O)CCC4=C3C=CC(=C4)O","DHGQGHPAXZZPPP-KNTRCKAVSA-N","5351963",NA,"PDBC03556","112737","Present"
-"(16E)-3-Hydroxy-10,13-dimethyl-16-(pyrrolidin-1-ylmethylidene)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","Androst-5-en-17one, 3.beta.-hydroxy-16-(1-pyrrolidinylme...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CN5CCCC5)C4=O)C)O","BLPWZFDTYUVONX-FOCLMDBBSA-N","6147639",NA,"PDBC03557","54709","Present"
-"(16Z)-4-Benzyl-4,14,19-triazaheptacyclo[12.11.2.02,6.07,27.08,13.019,26.020,25]heptacosa-1,6,8,10,12,16,20,22,24,26-decaene-3,5-dione","","","","","","","","","","","","","","","","","","","","(16Z)-4-Benzyl-4,14,19-triazaheptacyclo[12.11.2.02,6.07,27.08,13.019,26.020,25]heptacosa-1,6,8,10,12,16,20,22,24,26-decaene-3,5-dione","","C1C=CCN2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7N1C6=C42)C(=O)N(C5=O)CC8=CC=CC=C8","UEJNGLCATPTPMT-HJWRWDBZSA-N","5387871",NA,"PDBC03558","629021","Present"
-"(17-Acetyloxy-17-ethynyl-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl) acetate","","","","","","","","","","","","","","","","","","","","(17-Acetyloxy-17-ethynyl-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl) acetate","","CC(=O)OC1=CC2=CCC3C(C2(CC1)C)CCC4(C3CCC4(C#C)OC(=O)C)C","CTTMENFEBDZXHA-UHFFFAOYSA-N","276608",NA,"PDBC03559","124749","Present"
-"(18R)-20-[(2,5,9-Trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]-2,5,8,11,14,17-hexaoxa-20-azabicyclo[16.3.0]henicosane-19,21-dione","","","","","","","","","","","","","","","","","","","","(18R)-20-[(2,5,9-Trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]-2,5,8,11,14,17-hexaoxa-20-azabicyclo[16.3.0]henicosane-19,21-dione","","CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN4C(=O)C5C(C4=O)OCCOCCOCCOCCOCCO5)C","UNMCPGLEUMFRRT-AVJYQCBHSA-N","360865",NA,"PDBC03560","623543","Present"
-"(1As,6abeta,7aalpha)-1aalpha-Formyl-2aalpha,6-dimethyl-2alpha-(3-oxo-4-methylpentyl)decahydronaphtho[2,3-b]oxirene-6beta-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (1aR,2aR,3R,6aS,7R,7aS)-7a-formyl-3,6a-dimethyl-7-(4-methyl-3-oxopentyl)-2,2a,4,5,6,7-hexahydro-1aH-naphtho[6,7-b]oxirene-3-carboxylate","","CC(C)C(=O)CCC1C2(CCCC(C2CC3C1(O3)C=O)(C)C(=O)OC)C","HHDYQUWJOSAPEW-CBMYKLCHSA-N","401433",NA,"PDBC03561","715093","Present"
-"(1E)-1-(2,5-Dimethylpyridin-1-ium-1-yl)-1-[3-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-5-yl]prop-1-en-2-olate","","","","","","","","","","","","","","","","","","","","Pyridinium, 1-[2-hydroxy-1-[3-(5-nitro-2-furanyl)-1,2,4-...","","CC1=C[N+](=C(C=C1)C)C(=C(C)[O-])C2=NC(=NO2)C3=CC=C(O3)[N+](=O)[O-]","YOZLPDXELXKNFE-UHFFFAOYSA-N","24195152",NA,"PDBC03562","176637","Present"
-"(1E)-1-(2-Anilino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-ylidene)-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","(1E)-1-(2-Anilino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-ylidene)-3-phenylthiourea","","C1CCC2=C(C1)C3=C(S2)N=C(SC3=NC(=S)NC4=CC=CC=C4)NC5=CC=CC=C5","SEXPYYYQCJOTEN-LHLOQNFPSA-N","6140543",NA,"PDBC03563","679234","Present"
-"(1E)-1-(3-Amino-7-methyl-4,6,7-tetrahydro-2H-indazol-2-yl)-3-imino-3-phenylprop-1-en-1-ol","","","","","","","","","","","","","","","","","","","","(1E)-1-(3-amino-7-methyl-4,5,6,7-tetrahydro-2H-indazol-2...","","CC1CCCC2=C(N(N=C12)C(=O)C=C(C3=CC=CC=C3)N)N","MIEMSQAEEIUGSA-UVTDQMKNSA-N","54613124",NA,"PDBC03564","749522","Present"
-"(1E)-1-(3-Methylsulfanylpropylsulfanyl)cyclododecene","","","","","","","","","","","","","","","","","","","","(1E)-1-(3-Methylsulfanylpropylsulfanyl)cyclododecene","","CSCCCSC1=CCCCCCCCCCC1","LBZHNGTYOBITGJ-FOWTUZBSSA-N","5468236",NA,"PDBC03565","666407","Present"
-"(1E)-1-Hydroxyimino-spiro[4.5]decan-6-one","","","","","","","","","","","","","","","","","","","","(1E)-1-Hydroxyimino-spiro[4.5]decan-6-one","","C1CCC2(CCCC2=NO)C(=O)C1","STJUKIWXBCKCHT-DHZHZOJOSA-N","9569814",NA,"PDBC03566","619945","Present"
-"(1E)-1-Pyridin-2-ylethanone quinolin-2-ylhydrazone","","","","","","","","","","","","","","","","","","","","NSC332424","","CC(=NNC1=NC2=CC=CC=C2C=C1)C3=CC=CC=N3","ZHXBMYNQHKXYCJ-XDHOZWIPSA-N","9555484",NA,"PDBC03567","332424","Present"
-"(1E)-1-[(2,4,5-Trimethoxyphenyl)methylene]indene","","","","","","","","","","","","","","","","","","","","(1E)-1-[(2,4,5-Trimethoxyphenyl)methylene]indene","","COC1=CC(=C(C=C1C=C2C=CC3=CC=CC=C32)OC)OC","RJQDQZJSACRDTL-GXDHUFHOSA-N","5933794",NA,"PDBC03568","83087","Present"
-"(1E)-1-[Amino-(phenanthren-9-ylamino)methylidene]-2-methylguanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","Imidodicarbonimidic diamide, N-methyl-N'-9-phenanthrenyl...","","CN=C(N)N=C(N)NC1=CC2=CC=CC=C2C3=CC=CC=C31.Cl","IQXADJSHEBDZPO-UHFFFAOYSA-N","50938744",NA,"PDBC03569","401366","Present"
-"(1E)-3-(6-Azabicyclo[4.4.0]dec-2-yl)-1-(4-nitrophenyl)-2-azaprop-1-ene","","","","","","","","","","","","","","","","","","","","(1E)-3-(6-azabicyclo[4.4.0]dec-2-yl)-1-(4-nitrophenyl)-2-azaprop-1-ene","","C1CCN2CCCC(C2C1)CN=CC3=CC=C(C=C3)[N+](=O)[O-]","VCXCNOFLXXFITD-UHFFFAOYSA-N","394205",NA,"PDBC03570","697487","Present"
-"(1E,3E)-1,4-Bis(4-methoxyphenyl)-2,3-dinitro-1,3-butadiene","","","","","","","","","","","","","","","","","","","","1,3-Butadiene, 1,4-bis(4-methoxyphenyl)-2,3-dinitro-","","COC1=CC=C(C=C1)C=C(C(=CC2=CC=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-]","YWCRACKPLKNGNL-JYFOCSDGSA-N","5469834",NA,"PDBC03571","693132","Present"
-"(1E,3E)-1,4-Di(1-naphthyl)-2,3-dinitro-1,3-butadiene","","","","","","","","","","","","","","","","","","","","(E,E)-1,4-bis(1-naphthyl)-2,3-dinitro-1,3-butadiene","","C1=CC=C2C(=C1)C=CC=C2C=C(C(=CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])[N+](=O)[O-]","MDQLGVXVSCTKLA-DFEHQXHXSA-N","5469832",NA,"PDBC03572","693130","Present"
-"(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-N,N'-bis(4-ethoxyphenyl)-2-nitrobuta-1,3-diene-1,4-diamine","","","","","","","","","","","","","","","","","","","","1,3-Butadiene-1,4-diamine, 1-(1H-benzotriazol-1-yl)-3,4-...","","CCOC1=CC=C(C=C1)NC(=C(C(=C(NC2=CC=C(C=C2)OCC)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3","CEVMZZGRCDNQBT-OGGGYYITSA-N","5470200",NA,"PDBC03573","698379","Present"
-"(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-N-(4-ethoxyphenyl)-N',N'-diethyl-2-nitrobuta-1,3-diene-1,4-diamine","","","","","","","","","","","","","","","","","","","","(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-N-(4-ethoxyphenyl)-N',N'-diethyl-2-nitrobuta-1,3-diene-1,4-diamine","","CCN(CC)C(=C(C(=C(NC1=CC=C(C=C1)OCC)N2C3=CC=CC=C3N=N2)[N+](=O)[O-])Cl)Cl","QNHIQUNACJPXIS-FLFKKZLDSA-N","5470208",NA,"PDBC03574","698391","Present"
-"(1E,3Z)-1-(Benzotriazol-1-yl)-N'-tert-butyl-3,4-dichloro-N-(4-ethoxyphenyl)-2-nitrobuta-1,3-diene-1,4-diamine","","","","","","","","","","","","","","","","","","","","(1E,3Z)-1-(Benzotriazol-1-yl)-N'-tert-butyl-3,4-dichloro-N-(4-ethoxyphenyl)-2-nitrobuta-1,3-diene-1,4-diamine","","CCOC1=CC=C(C=C1)NC(=C(C(=C(NC(C)(C)C)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","KSUKFXCGPFAGFN-FRCMOREXSA-N","5470209",NA,"PDBC03575","698392","Present"
-"(1E,3Z,6R,7R,10R)-6-[2-(Furan-3-yl)ethyl]-6,7,10-trimethylcyclodeca-1,3-diene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","(1E,3Z,6R,7R,10R)-6-[2-(Furan-3-yl)ethyl]-6,7,10-trimethylcyclodeca-1,3-diene-1-carboxylic acid","","CC1CCC(C(CC=CC=C1C(=O)O)(C)CCC2=COC=C2)C","GAAVYSXXNLFKBR-NUFBDVPRSA-N","5469448",NA,"PDBC03576","688241","Present"
-"(1E,4E)-1,5-Dipyridin-3-ylpenta-1,4-dien-3-one","","","","","","","","","","","","","","","","","","","","1,4-Pentadien-3-one, 1,5-di-3-pyridyl-","","C1=CC(=CN=C1)C=CC(=O)C=CC2=CN=CC=C2","UWILVEPRHIRCJK-KQQUZDAGSA-N","5382674",NA,"PDBC03577","149286","Present"
-"(1E,4E)-1-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)penta-1,4-dien-3-one","","","","","","","","","","","","","","","","","","","","(1E,4E)-1-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)penta-1,4-dien-3-one","","COC1=CC=CC=C1C=CC(=O)C=CC2=CC=CC=C2O","RNDFIDUOVAGOQF-DCIPZJNNSA-N","6284052",NA,"PDBC03578","98938","Present"
-"(1E,5Z)-1,6-Dihydroxy-2-[(4-methoxyanilino)-(4-methoxyphenyl)methyl]-1,6-diphenylhexa-1,5-diene-3,4-dione","","","","","","","","","","","","","","","","","","","","(1E,5Z)-1,6-Dihydroxy-2-[(4-methoxyanilino)-(4-methoxyphenyl)methyl]-1,6-diphenylhexa-1,5-diene-3,4-dione","","COC1=CC=C(C=C1)C(C(=C(C2=CC=CC=C2)O)C(=O)C(=O)C=C(C3=CC=CC=C3)O)NC4=CC=C(C=C4)OC","ZPVJUAZOCLGOTF-JLHMWKGCSA-N","5472605",NA,"PDBC03579","720423","Present"
-"(1E,6E)-1,7-Bis(3,5-ditert-butyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)CC(=O)C=CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C","FRLWDHDIQCJLBE-WXUKJITCSA-N","5470822",NA,"PDBC03580","705586","Present"
-"(1E,6E)-1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,6-diene-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)-1,6-heptadiene-3,5-dione","","COC1=CC(=CC(=C1O)OC)C=CC(=O)CC(=O)C=CC2=CC(=C(C(=C2)OC)O)OC","POWBSRUMKJEPOH-KQQUZDAGSA-N","5470820",NA,"PDBC03581","705584","Present"
-"(1E,6E)-1,7-Bis(4-hydroxy-3-methoxy-5-methylphenyl)hepta-1,6-diene-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-Bis(4-hydroxy-3-methoxy-5-methylphenyl)-1,6-heptadie...","","CC1=CC(=CC(=C1O)OC)C=CC(=O)CC(=O)C=CC2=CC(=C(C(=C2)C)O)OC","UWTIHWBYQAERJU-KQQUZDAGSA-N","5473011",NA,"PDBC03582","723432","Present"
-"(1H-Benzimidazol-2-ylhydrazono)(4-methoxyphenyl)acetic acid","","","","","","","","","","","","","","","","","","","","(1H-Benzimidazol-2-ylhydrazono)(4-methoxyphenyl)acetic acid","","COC1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3N2)C(=O)O","HHIGDXHKBJDAJU-RGEXLXHISA-N","6300244",NA,"PDBC03583","679197","Present"
-"(1R)-1-[6-[2,3,4-Trimethoxy-6-[(5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1,3-benzodioxol-5-yl]ethanol","","","","","","","","","","","","","","","","","","","","(1R)-1-[6-[2,3,4-Trimethoxy-6-[(5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1,3-benzodioxol-5-yl]ethanol","","CC(C1=CC2=C(C=C1C3=C(C(=C(C=C3C4=NC(C(O4)C5=CC=CC=C5)COC)OC)OC)OC)OCO2)O","YVGDTYBGILBISN-FBALMHCPSA-N","6711361",NA,"PDBC03584","623154","Present"
-"(1R)-1alpha,8Bbeta-Dihydroxy-3beta-phenyl-3abeta-(1,3-benzodioxol-5-yl)-6,8-dimethoxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2alpha-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate","","COC1=CC2=C(C(=C1)OC)C3(C(C(C(C3(O2)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C(=O)OC)O)O","SAGBWAVFZFVBBQ-GWNOIRNCSA-N","390507",NA,"PDBC03585","687939","Present"
-"(1R)-2-(1-Phenylethylamino)cyclohexan-1-ol","","","","","","","","","","","","","","","","","","","","(1R)-2-(1-Phenylethylamino)cyclohexan-1-ol","","CC(C1=CC=CC=C1)NC2CCCCC2O","NYCFBNYPXMBDES-UXUKBGGZSA-N","357635",NA,"PDBC03586","617160","Present"
-"(1R)-2-(1-Phenylethylamino)cyclopentan-1-ol;(1S)-2-(1-phenylethylamino)cyclopentan-1-ol","","","","","","","","","","","","","","","","","","","","(1R)-2-(1-Phenylethylamino)cyclopentan-1-ol;(1S)-2-(1-phenylethylamino)cyclopentan-1-ol","","CC(C1=CC=CC=C1)NC2CCCC2O.CC(C1=CC=CC=C1)NC2CCCC2O","JPKPGRFSKPRNIM-JZXRJMALSA-N","357654",NA,"PDBC03587","617173","Present"
-"(1R)-2-(Butylamino)cycloheptan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC631810","","CCCCNC1CCCCCC1O.Cl","NIFGWMNPZGHJDG-PSDUUTOMSA-N","364923",NA,"PDBC03588","631810","Present"
-"(1R)-2-Aminocyclopentan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1R)-2-Aminocyclopentan-1-ol;hydrochloride","","C1CC(C(C1)O)N.Cl","ZFSXKSSWYSZPGQ-VVNPLDQHSA-N","357638",NA,"PDBC03589","617163","Present"
-"(1R)-2-Oxo-3,3-dimethyl-8,9-dimethoxy-1,2,3,5,6,10bbeta-hexahydropyrrolo[2,1-a]isoquinoline-1alpha-carbonitrile","","","","","","","","","","","","","","","","","","","","(1R,10Bs)-8,9-dimethoxy-3,3-dimethyl-2-oxo-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile","","CC1(C(=O)C(C2N1CCC3=CC(=C(C=C23)OC)OC)C#N)C","CVLXSFCTFAGWRX-SWLSCSKDSA-N","396900",NA,"PDBC03590","704079","Present"
-"(1R)-2-Oxo-5beta-(tert-butyldimethylsiloxy)-6alpha-allyl-3-cyclohexene-1beta-acetic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-6-prop-2-enylcyclohex-3-en-1-yl]acetate","","CCOC(=O)CC1C(C(C=CC1=O)O[Si](C)(C)C(C)(C)C)CC=C","WENQONDXZXMCST-BFYDXBDKSA-N","401705",NA,"PDBC03591","715435","Present"
-"(1R)-2-[[(1R)-1-Phenylethyl]amino]cyclohexan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1R)-2-[[(1R)-1-Phenylethyl]amino]cyclohexan-1-ol;hydrochloride","","CC(C1=CC=CC=C1)NC2CCCCC2O.Cl","BCCOQJSGYYMLLQ-IYWYVAIFSA-N","357643",NA,"PDBC03592","617166","Present"
-"(1R)-2-[[(1R)-1-Phenylethyl]amino]cyclopentan-1-ol","","","","","","","","","","","","","","","","","","","","(1R)-2-[[(1R)-1-Phenylethyl]amino]cyclopentan-1-ol","","CC(C1=CC=CC=C1)NC2CCCC2O","XRTOQDRFDAUSLY-SJMSNRFBSA-N","357637",NA,"PDBC03593","617162","Present"
-"(1R)-3,3-Dibromocamphor","","","","","","","","","","","","","","","","","","","","(1R)-3,3-Dibromocamphor","","CC1(C2CCC1(C(=O)C2(Br)Br)C)C","OFAQZCPBQBALHS-UHFFFAOYSA-N","376765",NA,"PDBC03594","657822","Present"
-"(1R)-6-endo-Benzyloxycamphor","","","","","","","","","","","","","","","","","","","","(1R)-6-endo-Benzyloxycamphor","","CC1(C2CC(C1(C(=O)C2)C)OCC3=CC=CC=C3)C","OSQUOWRVCLRVFQ-UHFFFAOYSA-N","376775",NA,"PDBC03595","657835","Present"
-"(1R,10S,14R)-7-(4-Fluorophenyl)-10,14-dimethyl-19-oxa-6,7,9-triazahexacyclo[11.9.0.02,10.04,8.014,20.018,20]docosa-4(8),5-dien-17-one","","","","","","","","","","","","","","","","","","","","(1R,10S,14R)-7-(4-Fluorophenyl)-10,14-dimethyl-19-oxa-6,7,9-triazahexacyclo[11.9.0.02,10.04,8.014,20.018,20]docosa-4(8),5-dien-17-one","","CC12CCC(=O)C3C1(O3)CCC4C2CCC5(C4CC6=C(N5)N(N=C6)C7=CC=C(C=C7)F)C","XSSVTVCWOLXSMA-XWSKZDCISA-N","376247",NA,"PDBC03596","656930","Present"
-"(1R,10S,14R)-7-(4-Fluorophenyl)-10,14-dimethyl-5,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,18-trien-17-one","","","","","","","","","","","","","","","","","","","","(1R,10S,14R)-7-(4-Fluorophenyl)-10,14-dimethyl-5,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,18-trien-17-one","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC5=C(N4)N(C=N5)C6=CC=C(C=C6)F)C","YXHIWUDDHCFYPI-VPPSLPLHSA-N","376240",NA,"PDBC03597","656923","Present"
-"(1R,10S,14R,17S)-7-(4-Fluorophenyl)-10,14-dimethyl-6,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,19-trien-17-ol","","","","","","","","","","","","","","","","","","","","(1R,10S,14R,17S)-7-(4-Fluorophenyl)-10,14-dimethyl-6,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,19-trien-17-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC5=C(N4)N(N=C5)C6=CC=C(C=C6)F)C)O","YCVJEIIUIBLCAU-ADDMTJTHSA-N","376246",NA,"PDBC03598","656929","Present"
-"(1R,12E)-11-Benzyl-3,4,6-trimethoxy-5,13-dimethyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-one","","","","","","","","","","","","","","","","","","","","(1R,12E)-11-Benzyl-3,4,6-trimethoxy-5,13-dimethyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-one","","CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3C)CC5=CC=CC=C5)C(=C1OC)OC)OC","HTVLHQYAKWFLCJ-VNJXKQBDSA-N","5387236",NA,"PDBC03599","622078","Present"
-"(1R,12E)-11-Benzyl-3,4,6-trimethoxy-5-methyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-one","","","","","","","","","","","","","","","","","","","","(1R,12E)-11-Benzyl-3,4,6-trimethoxy-5-methyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-one","","CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3)CC5=CC=CC=C5)C(=C1OC)OC)OC","KDOZTEIXPIZSSW-CERUOIKFSA-N","5387235",NA,"PDBC03600","622077","Present"
-"(1R,13R)-10,22-Dimethyl-8,10,20,22-tetrazahexacyclo[11.11.0.01,21.02,7.09,13.014,19]tetracosa-2,4,6,8,14,16,18,20-octaene","","","","","","","","","","","","","","","","","","","","(8-8a),(8'-8'a)-tetradehydroisocalycanthine 3'a(R),3'a(R)","","CN1CCC23C1=NC4=CC=CC=C4C25CCN(C5=NC6=CC=CC=C36)C","SNXAFBQZJGRMKH-VXKWHMMOSA-N","398040",NA,"PDBC03601","707150","Present"
-"(1R,2,3,4-Tetrahydro-1,3-dimethyl-6,8-dimethoxy-N-(benzyl)isoquinoline","","","","","","","","","","","","","","","","","","","","(1R,3S)-1,2,3,4-Tetrahydro-1,3-dimethyl-6,8-dimethoxy- N...","","CC1CC2=C(C(N1CC3=CC=CC=C3)C)C(=CC(=C2)OC)OC","RGYCJCNJSUCUCI-LOACHALJSA-N","378444",NA,"PDBC03602","660983","Present"
-"(1R,2E,5E,9E,13S)-13-(3-Hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol","","","","","","","","","","","","","","","","","","","","(1R,2E,5E,9E,13S)-13-(3-Hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol","","CC1=CCCC(=CCC=C(C(CC(CC1)C(=C)CO)O)C)C","LVXDRCSHBHXOGT-ZVRPMZRQSA-N","5469908",NA,"PDBC03603","694079","Present"
-"(1R,2E,6R,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-(2-hydroxyethyl)-4H-cyclopenta[f]oxacyclotridecin-4-one","","","","","","","","","","","","","","","","","","","","(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-hydroxy...","","C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCO)O)O","BRRPMHYWWKCDRQ-HKNYPKJUSA-N","71763189",NA,"PDBC03604","757946","Present"
-"(1R,2E,6R,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-(trifluoromethyl)-4H-cyclopenta[f]oxacyclotridecin-4-one","","","","","","","","","","","","","","","","","","","","(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(trifluoro...","","C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)C(F)(F)F)O)O","XNYHWEVYDZHFQM-OMKKRTLHSA-N","71761860",NA,"PDBC03605","763494","Present"
-"(1R,2E,6R,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-[2-(1-naphthyl)ethyl]-4H-cyclopenta[f]oxacyclotridecin-4-one","","","","","","","","","","","","","","","","","","","","(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-(naphth...","","C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC=CC4=CC=CC=C43)O)O","MJJBGCXYQKBMCD-QFAKEOTJSA-N","71763649",NA,"PDBC03606","761150","Present"
-"(1R,2E,6R,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-4H-cyclopenta[f]oxacyclotridecin-4-one","","","","","","","","","","","","","","","","","","","","(1R,6R,11aS,13S,14aR)-1,13-dihydroxy-6-{2-[4-(trifluorom...","","C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC=C(C=C3)C(F)(F)F)O)O","BVKHRFLVYOCGMF-JDGPEGMASA-N","71763652",NA,"PDBC03607","762150","Present"
-"(1R,2E,6R,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-vinyl-4H-cyclopenta[f]oxacyclotridecin-4-one","","","","","","","","","","","","","","","","","","","","(1R,6R,11aS,13S,14aR)-1,13-dihydroxy-6-vinyl-1,6,7,8,9,1...","","C=CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","WELPQYPQVLEGSI-MAPQJVESSA-N","71762091",NA,"PDBC03608","755269","Present"
-"(1R,2E,6S,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-vinyl-4H-cyclopenta[f]oxacyclotridecin-4-one","","","","","","","","","","","","","","","","","","","","(1R,6S,11aS,13S,14aR)-1,13-dihydroxy-6-vinyl-1,6,7,8,9,1...","","C=CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","WELPQYPQVLEGSI-IPMAJPOHSA-N","71762092",NA,"PDBC03609","758119","Present"
-"(1R,2R)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di...","","","","","","","","","","","","","","","","","","","","(1R,2R)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di...","","","","",NA,"PDBC03610","765877","Present"
-"(1R,2R,3E,7R,11E,13S,15S)-2,15-Dihydroxy-7-(2-methoxyethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one","","","","","","","","","","","","","","","","","","","","(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-methoxy...","","COCCC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","YRNWYOCZYBQCDE-QFUPPCKTSA-N","71763191",NA,"PDBC03611","757948","Present"
-"(1R,2R,3E,7R,11E,13S,15S)-2,15-Dihydroxy-7-(2-phenylethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one","","","","","","","","","","","","","","","","","","","","(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-phenethyl-...","","C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC=CC=C3)O)O","CSSYWQYQCALYND-SAADUKRKSA-N","71763648",NA,"PDBC03612","757947","Present"
-"(1R,2R,3E,7R,11E,13S,15S)-2,15-Dihydroxy-7-(2-phenylmethoxyethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one","","","","","","","","","","","","","","","","","","","","(1R,2E,6R,10E,11aS,13S,14aR)-6-(2-(benzyloxy)ethyl)-1,13...","","C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCOCC3=CC=CC=C3)O)O","NNPOPIWCZIERSZ-DJLXOVMMSA-N","71763192",NA,"PDBC03613","757949","Present"
-"(1R,2R,3E,7R,11E,13S,15S)-2,15-Dihydroxy-7-(2-quinolin-6-ylethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one","","","","","","","","","","","","","","","","","","","","(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-(quinol...","","C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC4=C(C=C3)N=CC=C4)O)O","LXENAZOCDGGYRJ-MYBIQHOXSA-N","71763650",NA,"PDBC03614","761151","Present"
-"(1R,2R,3E,7R,11E,13S,15S)-2,15-Dihydroxy-7-(hydroxymethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one","","","","","","","","","","","","","","","","","","","","(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(hydroxyme...","","C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CO)O)O","JJVIADUWPHPPMN-OLQAYZGXSA-N","71762976",NA,"PDBC03615","761154","Present"
-"(1R,2R,3E,7R,11E,13S,15S)-7-Acetyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one","","","","","","","","","","","","","","","","","","","","(1R,2E,6R,10E,11aS,13S,14aR)-6-acetyl-1,13-dihydroxy-6,7...","","CC(=O)C1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","BLCXAFCYAIGVSN-UZJNVPNJSA-N","71763423",NA,"PDBC03616","761152","Present"
-"(1R,2R,3E,7R,11E,13S,15S)-7-[2-(4-Aminophenyl)ethyl]-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one","","","","","","","","","","","","","","","","","","","","(1R,6R,11aS,13S,14aR)-6-[2-(4-aminophenyl)ethyl]-1,13-di...","","C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC=C(C=C3)N)O)O","XYHXWNUKNRJNQN-JDGPEGMASA-N","71763651",NA,"PDBC03617","762147","Present"
-"(1R,2R,3E,7S,11E,13S,15S)-7-Ethyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one","","","","","","","","","","","","","","","","","","","","(1R,6S,11aS,13S,14aR)-6-ethyl-1,13-dihydroxy-1,6,7,8,9,1...","","CCC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","UAXNYZPENRXDKY-MAPQJVESSA-N","71761859",NA,"PDBC03618","755268","Present"
-"(1R,2R,3R,5S,6R,8R,12S)-1,5-Dimethyl-11-methylidene-8-propan-2-yl-15-oxatricyclo[10.2.1.02,6]pentadecane-3,5-diol","","","","","","","","","","","","","","","","","","","","(1R,2R,3R,5S,6R,8R,12S)-1,5-Dimethyl-11-methylidene-8-propan-2-yl-15-oxatricyclo[10.2.1.02,6]pentadecane-3,5-diol","","CC(C)C1CCC(=C)C2CCC(O2)(C3C(C1)C(CC3O)(C)O)C","NRKRZWASYYAQCV-ABHMGBDOSA-N","54612708",NA,"PDBC03619","737076","Present"
-"(1R,2R,4S)-1,3,3-Trimethyl-2-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-thiol","","","","","","","","","","","","","","","","","","","","(1r,2r,4s)-1,3,3-Trimethyl-2-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-thiol","","CC1(C2CCC(C2)(C1(CC3=CC=CC=N3)S)C)C","PEEWHYAMPSQVEQ-MAZHCROVSA-N","400145",NA,"PDBC03620","711639","Present"
-"(1R,2R,5R,9R,10S,13R)-13-Hydroxy-5,9,13-trimethyl-3,14,15-trioxatetracyclo[8.5.0.01,6.02,12]pentadecan-4-one","","","","","","","","","","","","","","","","","","","","(1R,2R,5R,9R,10S,13R)-13-Hydroxy-5,9,13-trimethyl-3,14,15-trioxatetracyclo[8.5.0.01,6.02,12]pentadecan-4-one","","CC1CCC2C(C(=O)OC3C24C1CC3C(OO4)(C)O)C","DYABNPFXBUUVRL-WHTANUSXSA-N","6712631",NA,"PDBC03621","702214","Present"
-"(1R,2R,5S,6S,10S,13S,15R)-5-Acetyl-13-hydroxy-6,10-dimethylpentacyclo[13.2.2.0^{1,9}.0^{2,6}.0^{10,15}]nonadeca-8,18-diene-16,17-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","(1R,2R,5S,6S,10S,13S,15R)-5-Acetyl-13-hydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-diene-16,17-dicarboxylic acid","","CC(=O)C1CCC2C1(CC=C3C24C=CC5(C3(CCC(C5)O)C)C(C4C(=O)O)C(=O)O)C","NEZTUQCJKXTWFV-JIQJOFIQSA-N","222819",NA,"PDBC03622","9746","Present"
-"(1R,2R,5S,8R,9R,10R,13R,14R,20R)-1,2,14,19,19-Pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosane-5-carbonitrile","","","","","","","","","","","","","","","","","","","","3-deoxy-3-homo-3-aza-lup-20(29)-en-28-nitrile","","CC(=C)C1CCC2(C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C)C#N","FJETVGCIJCEQBR-DRUCTHHFSA-N","155815818",NA,"PDBC03623","801858","Present"
-"(1R,2R,5S,8R,9R,10R,13R,14R,20R)-N-[(2S)-1-Hydroxy-3-phenylpropan-2-yl]-1,2,14,19,19-pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosane-5-carboxamide","","","","","","","","","","","","","","","","","","","","3-Deoxy-3-homo-3-aza-lup-20(29)-en-28-L-phenylalanin-[32...","","CC(=C)C1CCC2(C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)NC(CC6=CC=CC=C6)CO","LPRBZXMJHZUBFT-SDPMNNRKSA-N","155811091",NA,"PDBC03624","799581","Present"
-"(1R,2R,6R,10S,11R,13S,14R,15R)-1-Hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13,14-bis(2-methylpropoxy)tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one","","","","","","","","","","","","","","","","","","","","(1R,2R,6R,10S,11R,13S,14R,15R)-1-Hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13,14-bis(2-methylpropoxy)tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one","","CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4CC(=C3)CO)C)O)OCC(C)C)OCC(C)C","PGGJQLHJKUPDIO-SKZOPBCKSA-N","390621",NA,"PDBC03625","688222","Present"
-"(1R,2R,7S)-3,6-Dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carbaldehyde","","","","","","","","","","","","","","","","","","","","(1R,2R,7S)-3,6-Dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carbaldehyde","","C1CCC2(CC1)OC3C4C5C(=O)C=CC(=O)C5(CC=C4OC3O2)C=O","WYQFWTFOBXWRLO-IUGQGLEPSA-N","356542",NA,"PDBC03626","612828","Present"
-"(1R,2R,9R,10R,11R,14R,15R,21R)-1,2,15,20,20-Pentamethyl-9-prop-1-en-2-yl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-5-ene","","","","","","","","","","","","","","","","","","","","3-Deoxy-3-homo-3aza-abeolup-20(29),17(22)-dien","","CC(=C)C1CCC=C2C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C","KADYMCRFQWRJBA-GMNYDWEMSA-N","155812025",NA,"PDBC03627","794971","Present"
-"(1R,2S)-1-(2-Chlorophenyl)-2-nitrobutan-1-ol","","","","","","","","","","","","","","","","","","","","(1R,2S)-1-(2-Chlorophenyl)-2-nitrobutan-1-ol","","CCC(C(C1=CC=CC=C1Cl)O)[N+](=O)[O-]","VZCHBEHJDCUQSD-VHSXEESVSA-N","402014",NA,"PDBC03628","715708","Present"
-"(1R,2S)-1-(4-Methoxyphenyl)-2-methyl-2,8-dihydro-1H-azeto[2,1-b]quinazoline","","","","","","","","","","","","","","","","","","","","(1R,2S)-1-(4-Methoxyphenyl)-2-methyl-2,8-dihydro-1H-azeto[2,1-b]quinazoline","","CC1C(N2C1=NC3=CC=CC=C3C2)C4=CC=C(C=C4)OC","BFXLMRQSCUXJMN-YVEFUNNKSA-N","400565",NA,"PDBC03629","712687","Present"
-"(1R,2S)-2-(Dicyclohexylcarbamoyl)cyclohexane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC641483","","C1CCC(CC1)N(C2CCCCC2)C(=O)C3CCCCC3C(=O)O","ORHVEVGCWUVFNC-ZWKOTPCHSA-N","369602",NA,"PDBC03630","641483","Present"
-"(1R,2S,10S,13S,14R,17S)-7-Chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-ol","","","","","","","","","","","","","","","","","","","","(1R,2S,10S,13S,14R,17S)-7-Chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC5=C4N=C(C=C5)Cl)C)O","GBPPARBNOIMUAG-ASOAYHERSA-N","399262",NA,"PDBC03631","709954","Present"
-"(1R,2S,3R,5S)-3-(6-Aminopurin-9-yl)-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1R,2S,3R,5S)-3-(6-Aminopurin-9-yl)-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride","","C1C(C(C(C1N2C=NC3=C(N=CN=C32)N)O)O)NO.Cl","OWEFVASYSWZFDS-RDSGXXSDSA-N","395996",NA,"PDBC03632","701169","Present"
-"(1R,2S,3R,5S)-3-[6-(Cyclopropylamino)purin-9-yl]-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1R,2S,3R,5S)-3-[6-(Cyclopropylamino)purin-9-yl]-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride","","C1CC1NC2=C3C(=NC=N2)N(C=N3)C4CC(C(C4O)O)NO.Cl","CKAFCNVBTVMTDJ-MBODOHECSA-N","396004",NA,"PDBC03633","701174","Present"
-"(1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-Dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid","","","","","","","","","","","","","","","","","","","","(1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-Dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.0","","CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O","CXVWQUMYRFPSCJ-LWPHVLBVSA-N","6712353",NA,"PDBC03634","673352","Present"
-"(1R,2S,3S)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenylpropane-1,2-diol","","","","","","","","","","","","","","","","","","","","(1r,2s,3s)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenyl-propane-1,2-diol","","COC(C1=CC=CC=C1)C(C(C2=CC=CC=C2)(O)P(=O)(OC)OC)O","UDUCETYLSJAFTA-OKZBNKHCSA-N","398053",NA,"PDBC03635","707217","Present"
-"(1R,2S,3S,4S,5R)-3-(9H-Fluoren-9-yloxy)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-ol","","","","","","","","","","","","","","","","","","","","(1r,2s,3s,4s,5r)-4-Benzyloxy-3-(9h-fluoren-9-yloxy)-6,8-dioxabicyclo[3.2.1]octan-2-ol","","C1C2C(C(C(C(O1)O2)OCC3=CC=CC=C3)OC4C5=CC=CC=C5C6=CC=CC=C46)O","KUEWVVVFLSJBIJ-XMQSEMGDSA-N","398030",NA,"PDBC03636","707103","Present"
-"(1R,2S,4R,5R,6S,7Z,10Z,13R,14R)-5,6-Dihydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadeca-7,10-diene-9,16-dione","","","","","","","","","","","","","","","","","","","","(1R,2S,4R,5R,6S,7Z,10Z,13R,14R)-5,6-Dihydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadeca-7,10-diene-9,16-dione","","CC1=CC(=O)C=C(C2(C(C(CC(O2)C34C(O3)C(C1)OC4=O)C(=C)C)O)O)C","NYQXKINSRDCSCG-CKUJFVHVSA-N","54608962",NA,"PDBC03637","697735","Present"
-"(1R,2S,4S,8R,9S,10R,14R,15S)-9-Hydroxy-2,14-diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[13.2.1.04,8]octadecan-6-one","","","","","","","","","","","","","","","","","","","","(1R,2S,4S,8R,9S,10R,14R,15S)-9-Hydroxy-2,14-diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[13.2.1.04,8]octadecan-6-one","","CC1CCCC(C2CCC(O2)(C(CC3C(C1O)OC(=O)C3=C)I)C)(C)I","HAHQOIVSSFBLHO-ZZCSQFIKSA-N","6712557",NA,"PDBC03638","697264","Present"
-"(1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-Hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-10-one","","","","","","","","","","","","","","","","","","","","(1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-Hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-10-one","","CC1=C(OC2C1C3(C(C2)C4CCC5CC(CCC5(C4CC3=O)C)O)C)CCC(C)CO","YHGXHXTZNBXLKF-ZEIMHBHRSA-N","261265",NA,"PDBC03639","93241","Present"
-"(1R,2S,5S,8R,9S,10S,14R,15R,21R)-1,2,8,9,15,20,20-Heptamethyl-N-quinolin-6-yl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-11-ene-5-carboxamide","","","","","","","","","","","","","","","","","","","","3-Deoxy-3-homo-3-aza-urs-12(13)-en-28-N-[N-(quinolin-6-y...","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCCNC5(C)C)C)C)C2C1C)C)C(=O)NC6=CC7=C(C=C6)N=CC=C7","CSNKSZUAQGHLCL-QDOKYNMVSA-N","155817284",NA,"PDBC03640","799580","Present"
-"(1R,2S,6E,10S,11R,13S,17R)-11-Hydroxy-2,6,10-trimethyl-14-methylidene-16,18-dioxatricyclo[8.6.2.013,17]octadec-6-en-15-one","","","","","","","","","","","","","","","","","","","","(1R,2S,6E,10S,11R,13S,17R)-11-Hydroxy-2,6,10-trimethyl-14-methylidene-16,18-dioxatricyclo[8.6.2.013,17]octadec-6-en-15-one","","CC1CCCC(=CCCC2(C(CC3C(C1OC(=O)C3=C)O2)O)C)C","HTFJCLBNRQBUKL-MPWUPMOYSA-N","5469628",NA,"PDBC03641","690970","Present"
-"(1R,2S,6R,7S)-4-(2,5-Ditert-butylphenyl)-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione","","","","","","","","","","","","","","","","","","","","(1R,2S,6R,7S)-4-(2,5-Ditert-butylphenyl)-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione","","CC12C3CC(C1C(=O)N(C2=O)C4=C(C=CC(=C4)C(C)(C)C)C(C)(C)C)C=C3","RSTSNKZFTDWTIK-HDCSMFLBSA-N","401154",NA,"PDBC03642","714122","Present"
-"(1R,2S,6R,7S)-5-Ethoxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one","","","","","","","","","","","","","","","","","","","","(1R,2S,6R,7S)-5-Ethoxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one","","CCOC1C2C3CCC(C2C(=O)O1)O3","PWPOIJNVVZDGIH-VITGYUQNSA-N","24204612",NA,"PDBC03643","732299","Present"
-"(1R,2S,6R,7S)-5-Hydroxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one","","","","","","","","","","","","","","","","","","","","4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-3-hydroxy-, ...","","C1CC2C3C(C1O2)C(OC3=O)O","RVXZUWLWZREXRM-GKYMIPFJSA-N","24204611",NA,"PDBC03644","732298","Present"
-"(1R,2S,6R,7S,8R,10S,11S)-7-Bromo-10,11-diphenyl-4-(trichloromethyl)-3,9,12-trioxa-5-azatricyclo[6.4.0.02,6]dodec-4-ene","","","","","","","","","","","","","","","","","","","","(1R,2S,6R,7S,8R,10S,11S)-7-Bromo-10,11-diphenyl-4-(trichloromethyl)-3,9,12-trioxa-5-azatricyclo[6.4.0.02,6]dodec-4-ene","","C1=CC=C(C=C1)C2C(OC3C(O2)C4C(C3Br)N=C(O4)C(Cl)(Cl)Cl)C5=CC=CC=C5","FTGLKINRGXMPTO-LOVVWNRFSA-N","399739",NA,"PDBC03645","710834","Present"
-"(1R,2S,6R,7S,9S,10E,12S,13S)-10-(Dimethylhydrazinylidene)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol","","","","","","","","","","","","","","","","","","","","(1R,2S,6R,7S,9S,10E,12S,13S)-10-(Dimethylhydrazinylidene)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol","","CC1CCC2(C(C3C(O2)CC4C3(C(=NN(C)C)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1","WPCHTIUQWSHWAJ-AQWUDAHTSA-N","9572301",NA,"PDBC03646","710482","Present"
-"(1R,2S,6S,10S,13S)-6-(Hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol","","","","","","","","","","","","","","","","","","","","(1R,2S,6S,10S,13S)-6-(Hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol","","CC1(CCCC2(C1CCC3C24CCC(C(C3)C4)(C)O)C)CO","YFPSFADPQXOJFU-BWRCBALTSA-N","5459204",NA,"PDBC03647","646012","Present"
-"(1R,3Ar,5aR,5bR,11aR)-9-(benzenesulfonyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(1R,3Ar,5aR,5bR,11aR)-9-(benzenesulfonyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OS(=O)(=O)C6=CC=CC=C6)C)C(=O)O","RFKFYMPEMRXDIU-VDMSOURNSA-N","54613145",NA,"PDBC03648","750417","Present"
-"(1R,3As,5aR,5bR,7aR,10S,11aR,11bR,13aR,13bR)-10-[3-(4-bromophenyl)prop-2-ynyl]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(2.alpha.)-2-[3-(4-bromophenyl)prop-2-yn-1-yl]-3-oxolup-...","","CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(=O)C5(C)C)CC#CC6=CC=C(C=C6)Br)C)C)C(=O)O","LAMQXOGGOMWUQY-DEYUOFMXSA-N","155812179",NA,"PDBC03649","795846","Present"
-"(1R,3As,5aR,5bR,7aR,9S,10S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-10-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","","","","","","","","","","","","","","","","","","","","2'-trifluoromethyl benzenepropynyl-3'- hydroxylup-20(29)...","","CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)CC#CC6=CC=C(C=C6)C(F)(F)F)C)C)C(=O)O","UNRIMKBYKUWMMY-NAULHLSUSA-N","155812374",NA,"PDBC03650","800552","Present"
-"(1R,3As,5aR,5bR,7aS,9S,11aS,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(1R,3As,5aR,5bR,7aS,9S,11aS,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrys","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)C(=O)C=CC6=CC(=C(C=C6)O)O)C)C(=O)O","OPUNHZNTUGYRKF-XXRXEVJLSA-N","5459276",NA,"PDBC03651","681466","Present"
-"(1R,3R)-1-(2,6-Dichlorophenyl)-3-methyl-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","(1r,3r)-1-(2,6-Dichlorophenyl)-3-methyl-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline","","CC1C2=NC3=CC=CC=C3CN2C(S1)C4=C(C=CC=C4Cl)Cl","BUXQRRBNRBZXDV-BMLIUANNSA-N","395892",NA,"PDBC03652","700987","Present"
-"(1R,3R,4R,5S,6R,7R)-3-(Hydroxymethyl)-4,6-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-7-ol","","","","","","","","","","","","","","","","","","","","(1R,3R,4R,5S,6R,7R)-3-(Hydroxymethyl)-4,6-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-7-ol","","C1=CC=C(C=C1)COCC23C(C(OC(O2)C(C3OCC4=CC=CC=C4)O)CO)OCC5=CC=CC=C5","KAKAWEBVHGYMEE-PADYGVHUSA-N","403307",NA,"PDBC03653","718013","Present"
-"(1R,3R,5R,8E,12E,15S,18R)-5,9,13-Trimethylspiro[4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18,2'-oxirane]-17-one","","","","","","","","","","","","","","","","","","","","(1R,3R,5R,8E,12E,15S,18R)-5,9,13-Trimethylspiro[4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18,2'-oxirane]-17-one","","CC1=CCCC2(C(O2)CC3C(CC(=CCC1)C)OC(=O)C34CO4)C","SWHGBMUHMUIWRO-CDLJRPPESA-N","5469631",NA,"PDBC03654","690973","Present"
-"(1R,3R,6Z,10E,14R)-6,10,14-Trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-one","","","","","","","","","","","","","","","","","","","","(1R,3R,6Z,10E,14R)-6,10,14-Trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-one","","CC1=CCCC2(C(O2)CC(CC(=O)C(=CCC1)C)C(=C)C)C","OEPTXZKKXAKLNP-CAPRJZRZSA-N","5472849",NA,"PDBC03655","722071","Present"
-"(1R,3S)-1-(2,6-Dichlorophenyl)-3-methyl-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","(1r,3s)-1-(2,6-Dichlorophenyl)-3-methyl-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline","","CC1C2=NC3=CC=CC=C3CN2C(S1)C4=C(C=CC=C4Cl)Cl","BUXQRRBNRBZXDV-DYZYQPBXSA-N","395891",NA,"PDBC03656","700986","Present"
-"(1R,3S)-1-(2-Fluorophenyl)-3-methyl-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","(1r,3s)-1-(2-Fluorophenyl)-3-methyl-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline","","CC1C2=NC3=CC=CC=C3CN2C(S1)C4=CC=CC=C4F","RISATPIJHQZPEZ-APPDUMDISA-N","402099",NA,"PDBC03657","715820","Present"
-"(1R,3S)-3-Aminocyclohexane-1,2-diol;hydrochloride","","","","","","","","","","","","","","","","","","","","1,2-Cyclohexanediol, 3-amino-, hydrochloride, (1.alpha.,...","","C1CC(C(C(C1)O)O)N.Cl","MIDIYKXNTKNGBP-LIQNOFJUSA-N","355715",NA,"PDBC03658","609820","Present"
-"(1R,3S,5R,6R,9R,11S)-8-Methyl-9-[(E)-non-1-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,13-dioxatetracyclo[9.2.2.01,5.06,11]pentadec-7-ene-12,15-dione","","","","","","","","","","","","","","","","","","","","(3R,4aS,8S,9aR,9bR)-4a-hydroxy-2-methyl-3-((E)-non-1-en-...","","CCCCCCCC=CC1C(=CC2C3CC(CC34CC(=O)C2(O1)C(=O)O4)OC5C(C(C(C(O5)CO)O)O)O)C","PRPKELYCXMQFKN-QVRHYJHMSA-N","155806964",NA,"PDBC03659","794949","Present"
-"(1R,3S,5R,8S)-1,3,5,6,7,8-Hexamethyl-2,4,9-trioxatricyclo[6.1.0.03,5]non-6-ene","","","","","","","","","","","","","","","","","","","","(1R,3S,5R,8S)-1,3,5,6,7,8-Hexamethyl-2,4,9-trioxatricyclo[6.1.0.03,5]non-6-ene","","CC1=C(C2(C(O2)(OC3(C1(O3)C)C)C)C)C","MAWVINHPBOZONV-IWDIQUIJSA-N","397373",NA,"PDBC03660","705026","Present"
-"(1R,4As,6aR,6aR,6bR,8aR,11Z,12aR,14aS,14bR)-6a,6b,9,9,12a-pentamethyl-10-oxo-1-prop-1-en-2-yl-11-(pyridin-4-ylmethylidene)-2,3,4,5,6,6a,7,8,8a,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-[4-vinylpyridine]-3-oxo-lup-20(29)-en-28-oic acid","","CC(=C)C1CCCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(=CC6=CC=NC=C6)C(=O)C5(C)C)C)C)C(=O)O","HEPXJORWKMOEQV-UHLRFYTASA-N","155814302",NA,"PDBC03661","801872","Present"
-"(1R,4E,8E,12S,14R)-1,5,9-Trimethyl-12-(2-methyloxiran-2-yl)-15-oxabicyclo[12.1.0]pentadeca-4,8-diene","","","","","","","","","","","","","","","","","","","","(1R,4E,8E,12S,14R)-1,5,9-Trimethyl-12-(2-methyloxiran-2-yl)-15-oxabicyclo[12.1.0]pentadeca-4,8-diene","","CC1=CCCC2(C(O2)CC(CCC(=CCC1)C)C3(CO3)C)C","MIEWOGXTDVXGTN-TVFDWPSESA-N","5472850",NA,"PDBC03662","722072","Present"
-"(1R,4R)-1,4-Bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione","","","","","","","","","","","","","","","","","","","","(1R,4R)-1,4-Bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione","","C1OC2=C(O1)C=C(C=C2)C3C4C(C(OC4=O)C5=CC6=C(C=C5)OCO6)C(=O)O3","APOQDYUENSVQGT-FOIPXRHGSA-N","358206",NA,"PDBC03663","618097","Present"
-"(1R,4R)-1,4-Bis(2,4,5-trimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione","","","","","","","","","","","","","","","","","","","","(1R,4R)-1,4-Bis(2,4,5-trimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione","","COC1=CC(=C(C=C1C2C3C(C(OC3=O)C4=CC(=C(C=C4OC)OC)OC)C(=O)O2)OC)OC","GOFDMRDWBWJFJM-UJKMTWAASA-N","358208",NA,"PDBC03664","618099","Present"
-"(1R,4R)-1,4-Bis(3,4,5-trimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione","","","","","","","","","","","","","","","","","","","","(1R,4R)-1,4-Bis(3,4,5-trimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione","","COC1=CC(=CC(=C1OC)OC)C2C3C(C(OC3=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)O2","CXVHFGPMGPBZMK-GUMHCPJTSA-N","358207",NA,"PDBC03665","618098","Present"
-"(1R,4R)-1,4-Bis(3,4-dimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione","","","","","","","","","","","","","","","","","","","","(1R,4R)-1,4-Bis(3,4-dimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione","","COC1=C(C=C(C=C1)C2C3C(C(OC3=O)C4=CC(=C(C=C4)OC)OC)C(=O)O2)OC","GHWJLZYISZQGAJ-GUMHCPJTSA-N","358205",NA,"PDBC03666","618096","Present"
-"(1R,4R)-1,4-Bis(4-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione","","","","","","","","","","","","","","","","","","","","(1R,4R)-1,4-Bis(4-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione","","COC1=CC=C(C=C1)C2C3C(C(OC3=O)C4=CC=C(C=C4)OC)C(=O)O2","PZMJZHHHLJVULL-FOIPXRHGSA-N","358209",NA,"PDBC03667","618100","Present"
-"(1R,4R,5R,6R)-5,6-Bis(phenylsulfonyl)-7-oxabicyclo[2.2.1]hepta-2-ene-1-(methanethiol)","","","","","","","","","","","","","","","","","","","","[(1R,4R,5R,6R)-5,6-Bis(benzenesulfonyl)-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methanethiol","","C1=CC=C(C=C1)S(=O)(=O)C2C3C=CC(C2S(=O)(=O)C4=CC=CC=C4)(O3)CS","BEGMYFNWGNIGOA-AKHDSKFASA-N","399574",NA,"PDBC03668","710448","Present"
-"(1R,4R,5S,6R,7R,8R)-5,7-Bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,9-dioxabicyclo[4.2.1]nonane-4,8-diol","","","","","","","","","","","","","","","","","","","","(1R,4R,5S,6R,7R,8R)-5,7-Bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,9-dioxabicyclo[4.2.1]nonane-4,8-diol","","C1C(C(C2(C(C(C(O1)O2)O)OCC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)O","SRGKOUYLOKUKEC-ULFZGVROSA-N","403306",NA,"PDBC03669","718012","Present"
-"(1R,4S)-1,7,7-Trimethyl-3alpha-(benzylthio)bicyclo[2.2.1]heptan-2alpha-ol","","","","","","","","","","","","","","","","","","","","(1r,2s,3r,4s)-3-(Benzylsulfanyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","","CC1(C2CCC1(C(C2SCC3=CC=CC=C3)O)C)C","SGGXLJWXVZGWJG-ANQUJSFKSA-N","401628",NA,"PDBC03670","715325","Present"
-"(1R,4S)-4-[(E)-1-Hydroxy-4-[(2-methylpropan-2-yl)oxy]but-2-en-2-yl]cyclopent-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(1R,4S)-4-[(E)-1-Hydroxy-4-[(2-methylpropan-2-yl)oxy]but-2-en-2-yl]cyclopent-2-en-1-ol","","CC(C)(C)OCC=C(CO)C1CC(C=C1)O","ZYBGEEADCYHNBJ-KGYXVEPJSA-N","5470159",NA,"PDBC03671","698205","Present"
-"(1R,4S,7S,11S,14S)-7,14-Dimethyl-4,11-di(propan-2-yl)-6,13-dioxa-3,10,15,16-tetrazatricyclo[10.2.1.15,8]hexadeca-5(16),12(15)-diene-2,9-dione","","","","","","","","","","","","","","","","","","","","(1R,4S,7S,11S,14S)-7,14-Dimethyl-4,11-di(propan-2-yl)-6,13-dioxa-3,10,15,16-tetrazatricyclo[10.2.1.15,8]hexadeca-5(16),12(15)-diene-2,9-dione","","CC1C2C(=O)NC(C3=NC(C(O3)C)C(=O)NC(C(=N2)O1)C(C)C)C(C)C","YXZXGHVFCPWKDA-RTHOXKBDSA-N","379705",NA,"PDBC03672","664578","Present"
-"(1R,4S,8E,12S)-4,12-Dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one","","","","","","","","","","","","","","","","","","","","(1R,4S,8E,12S)-4,12-Dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one","","CC1CCC2C(O2)(CCC(=CC(C(=O)C1)C(=C)C)C(C)C)C","XCLKNXURBGEDOT-LLVXKQPZSA-N","23424871",NA,"PDBC03673","727914","Present"
-"(1R,4S,9R,10R,13S)-5,5-Bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one","","","","","","","","","","","","","","","","","","","","(1R,4S,9R,10R,13S)-5,5-Bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one","","CC12CC(=O)CC(C1CCC34C2CCC(C3)C(=C)C4)(CO)CO","IGOMNRZBTQVLBU-HZZCBIDNSA-N","391203",NA,"PDBC03674","690036","Present"
-"(1R,4S,9S,10R,13R)-11-Hydroxy-5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one","","","","","","","","","","","","","","","","","","","","(1R,4S,9S,10R,13R)-11-Hydroxy-5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one","","CC12CC(=O)CC(C1CCC34C2C(CC(C3)C(=C)C4)O)(CO)CO","SRLVFQVUOGIQFP-GRAZYNORSA-N","391204",NA,"PDBC03675","690037","Present"
-"(1R,5S)-1,7-Diphenyl-5-benzoyl-2-oxabicyclo[3.2.0]hepta-6-ene-3,4-dione","","","","","","","","","","","","","","","","","","","","(1r,5s)-1,7-Diphenyl-5-(phenylcarbonyl)-2-oxabicyclo[3.2.0]hept-6-ene-3,4-dione","","C1=CC=C(C=C1)C2=CC3(C2(OC(=O)C3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","DVWBTIMAWWEUQB-LOSJGSFVSA-N","402837",NA,"PDBC03676","717090","Present"
-"(1R,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one","","","","","","","","","","","","","","","","","","","","7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-6-(hydroxy...","","C1=CC(=O)C2C(C1O)(O2)CO","GAGWCYWDAZARDD-LYFYHCNISA-N","319924",NA,"PDBC03677","266032","Present"
-"(1R,5S,7R)-5-Methoxy-2,2-dimethyl-4-phenyl-6-thia-4-azatricyclo[5.4.0.01,5]undecan-3-one","","","","","","","","","","","","","","","","","","","","(1R,5S,7R)-5-Methoxy-2,2-dimethyl-4-phenyl-6-thia-4-azatricyclo[5.4.0.01,5]undecan-3-one","","CC1(C(=O)N(C2(C13CCCCC3S2)OC)C4=CC=CC=C4)C","CIYDTNOVSIKQLU-JLSDUUJJSA-N","5471482",NA,"PDBC03678","711628","Present"
-"(1R,6R,13S,15S,19R)-7,19-Dichloro-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione","","","","","","","","","","","","","","","","","","","","(1R,6R,13S,15S,19R)-7,19-Dichloro-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione","","CC1(C2CCC13C(C2)OCCOC(=O)C(C4C(N(C3=O)C(=O)O4)Cl)(COCC5=CC=CC=C5)Cl)C","KTSSTDDKRACMDH-NUSOTDOXSA-N","6712782",NA,"PDBC03679","711474","Present"
-"(1R,6S,10As)-methyl 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrodiacetyl-7-(dihydroxy methyl)-1,4a,6-trimethylphenanthrene-1-carboxylate","","","","","","","","","","","","","","","","","","","","(1R,4aR,6S,10aS)-methyl 1,2,3,4,4a,5,6,7,8,9,10,10a-dode...","","CC1CC2=C(CCC3C2(CCCC3(C)C(=O)OC)C)CC1CC(OC(=O)C)OC(=O)C","VENDEIHMGSYWRL-JQNVQRCWSA-N","24204230",NA,"PDBC03680","731016","Present"
-"(1R,8R,9R)-5-[(1R,9R)-10,10-Dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-8-[(1R,8R,9R)-5-[(1R,9R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene","","","","","","","","","","","","","","","","","","","","(1R,8R,9R)-5-[(1R,9R)-10,10-Dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-8-[(1R,8R,9R)-5-[(1R,9R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatri","","CC1(C2CC1C3=CN=C(C=C3C2)C4=NC=C5C6CC(C6(C)C)C(C5=C4)C7C8CC(C8(C)C)C9=CN=C(C=C79)C1=NC=C2C3CC(C3(C)C)CC2=C1)C","KVKNHPSCVUTSIG-CXRMBAMZSA-N","6712472",NA,"PDBC03681","690443","Present"
-"(1R,8R,9R)-8-[(1R,8R,9R)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene","","","","","","","","","","","","","","","","","","","","(1R,8R,9R)-8-[(1R,8R,9R)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene","","CC1(C2CC1C3=CN=C(C=C3C2C4C5CC(C5(C)C)C6=CN=C(C=C46)C7=CC=CC=N7)C8=CC=CC=N8)C","VOXCICWDOQIAJB-POGJZYIOSA-N","6712470",NA,"PDBC03682","690440","Present"
-"(1R,8S)-8-Hydroxy-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4,11-triene-3,6,14-trione","","","","","","","","","","","","","","","","","","","","(1R,8S)-8-Hydroxy-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4,11-triene-3,6,14-trione","","C1C=CC2C3C1C(C4=C(C3OC2=O)C(=O)C=CC4=O)O","FWJHNMSQMBRCJF-GCVQNUKYSA-N","369716",NA,"PDBC03683","641810","Present"
-"(1R,9Ar)-Octahydro-4H-quinolizine-1beta,2alpha,3alpha,9beta-tetrol","","","","","","","","","","","","","","","","","","","","(1r,2r,3r,9r,9Ar)-octahydro-2h-quinolizine-1,2,3,9-tetrol","","C1CC(C2C(C(C(CN2C1)O)O)O)O","QTBDZCJQYXPZJL-JGKVKWKGSA-N","389972",NA,"PDBC03684","686749","Present"
-"(1R,9R)-3,5,11,13-Tetraoxa-8-thiatricyclo[7.4.0.02,7]tridecane","","","","","","","","","","","","","","","","","","","","(1R,9R)-3,5,11,13-Tetraoxa-8-thiatricyclo[7.4.0.02,7]tridecane","","C1C2C(C3C(S2)COCO3)OCO1","ZOASYXZHAJMTHL-RRABCLCVSA-N","371589",NA,"PDBC03685","645981","Present"
-"(1R,9R)-4-Methoxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol;iodide","","","","","","","","","","","","","","","","","","","","(1R,9R)-4-Methoxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol;iodide","","C[N+]1(CCC23CCCC=C2C1CC4=C3C(=C(C=C4)OC)O)C.[I-]","HIHYUHBGFQCTAO-AEFICSSHSA-N","11969677",NA,"PDBC03686","611211","Present"
-"(1R,9R)-4-Methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol","","","","","","","","","","","","","","","","","","","","(1R,9R)-4-Methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol","","CN1CCC23CCCC=C2C1CC4=C3C(=C(C=C4)OC)O","REASKFPIAQOWDC-RDTXWAMCSA-N","6711279",NA,"PDBC03687","611266","Present"
-"(1R,9R,10R)-4-Methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-15-one","","","","","","","","","","","","","","","","","","","","(1R,9R,10R)-4-Methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-15-one","","CN1CC(=O)C23CCCCC2C1CC4=C3C=C(C=C4)OC","CKRFWODWKVGWNR-YXJHDRRASA-N","6711278",NA,"PDBC03688","611248","Present"
-"(1R,9R,10S,11R,12R,19R)-4-Bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbohydrazide","","","","","","","","","","","","","","","","","","","","(1R,9R,10S,11R,12R,19R)-4-Bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbohydrazide","","CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)NN)O)N(C5=CC(=C(C=C45)Br)OC)C","XQIHYWOQWOOSQL-RLFCDOPRSA-N","399521",NA,"PDBC03689","710384","Present"
-"(1R,9S,13R)-6-(4-Fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,17-trien-16-one","","","","","","","","","","","","","","","","","","","","(1R,9S,13R)-6-(4-Fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,17-trien-16-one","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC5=NN(N=C54)C6=CC=C(C=C6)F)C","LPNSXSQCWPKBSB-AIYTVDAHSA-N","376238",NA,"PDBC03690","656921","Present"
-"(1R,9S,13R,16S)-6-(4-Fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol","","","","","","","","","","","","","","","","","","","","(1R,9S,13R,16S)-6-(4-Fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC5=NN(N=C54)C6=CC=C(C=C6)F)C)O","JAUDVHBWCFGZJO-CXFAMWIQSA-N","376245",NA,"PDBC03691","656928","Present"
-"(1R,9S,13R,16S)-9,13-Dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol","","","","","","","","","","","","","","","","","","","","(1R,9S,13R,16S)-9,13-Dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC5=NNN=C54)C)O","BZPYOPXMDGFZDN-SATMMKAJSA-N","376239",NA,"PDBC03692","656922","Present"
-"(1S)-1-Methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,10,18-tricarbaldehyde","","","","","","","","","","","","","","","","","","","","(1S)-1-Methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,10,18-tricarbaldehyde","","CC12C3=C4C=CC(=C3OC5=C1C(=C(C=C5)C=O)OC6=C(C=CC(=C26)O4)C=O)C=O","IJRTVSDUASYXCQ-QHCPKHFHSA-N","393365",NA,"PDBC03693","695172","Present"
-"(1S)-1-Phenyl-2-phenylmethoxyethanamine","","","","","","","","","","","","","","","","","","","","(1S)-1-Phenyl-2-phenylmethoxyethanamine","","C1=CC=C(C=C1)COCC(C2=CC=CC=C2)N","ZMNPFYANVKDFQC-OAHLLOKOSA-N","357746",NA,"PDBC03694","617267","Present"
-"(1S)-1-Prop-1-ynylcyclohexane-1,2-diol","","","","","","","","","","","","","","","","","","","","(1S)-1-Prop-1-ynylcyclohexane-1,2-diol","","CC#CC1(CCCCC1O)O","GGYHEENUGUTBLK-YGPZHTELSA-N","6711305",NA,"PDBC03695","617176","Present"
-"(1S)-1-[(2-Benzyl-5-nitrobenzimidazol-1-yl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S)-1-[(2-Benzyl-5-nitrobenzimidazol-1-yl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride","","C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)[N+](=O)[O-])N=C3CC5=CC=CC=C5.Cl","TYRRRZPZWLVLRT-OFRUWTFKSA-N","397751",NA,"PDBC03696","706174","Present"
-"(1S)-1-[(2R,3Ar,5S,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","(1S)-1-[(2R,3Ar,5S,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol","","CCC=CCC(C1CC2C(O1)CC(O2)C(C#C[Si](C)(C)C)O)O[Si](C)(C)C(C)(C)C","DEWRPLOYTYQCKN-UPBXVLEXSA-N","5469986",NA,"PDBC03697","695222","Present"
-"(1S)-1-[3-[(7-Aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-2,2-dimethylcyclobutyl]ethanol","","","","","","","","","","","","","","","","","","","","(1s)-1-[3-[(7-Aminotriazolo[5,4-d]pyrimidin-3-yl)methyl]-2,2-dimethyl-cyclobutyl]ethanol","","CC(C1CC(C1(C)C)CN2C3=NC=NC(=C3N=N2)N)O","YLJIKVLLFPVDGH-UEJVZZJDSA-N","395601",NA,"PDBC03698","700346","Present"
-"(1S)-1-[6-[2,3,4-Trimethoxy-6-[(5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1,3-benzodioxol-5-yl]ethanol","","","","","","","","","","","","","","","","","","","","(1S)-1-[6-[2,3,4-Trimethoxy-6-[(5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1,3-benzodioxol-5-yl]ethanol","","CC(C1=CC2=C(C=C1C3=C(C(=C(C=C3C4=NC(C(O4)C5=CC=CC=C5)COC)OC)OC)OC)OCO2)O","YVGDTYBGILBISN-LBOPGCNLSA-N","6711362",NA,"PDBC03699","623155","Present"
-"(1S)-1-[[2-Benzyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","","","","","","","","","","","","","","","","","","","(1S)-1-[[2-Benzyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3CC5=CC=CC=C5","VYBKTUUDMDGXLT-YDNXMHBPSA-N","397749",NA,"PDBC03700","706172","Present"
-"(1S)-1-[[2-[(4-Chlorophenyl)methyl]-5-nitrobenzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","","","","","","","","","","","","","","","","","","","(1S)-1-[[2-[(4-Chlorophenyl)methyl]-5-nitrobenzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)[N+](=O)[O-])N=C3CC5=CC=C(C=C5)Cl","JEPXPZWLLINUPA-HXBUSHRASA-N","397754",NA,"PDBC03701","706176","Present"
-"(1S)-1-[[2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","","","","","","","","","","","","","","","","","","","(1S)-1-[[2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","COC1=CC=C(C=C1)CC2=NC3=C(N2CC4CCCN5C4CCCC5)C=CC(=C3)C(F)(F)F","TZCMOUOFLGIXFI-HSTJUUNISA-N","397750",NA,"PDBC03702","706173","Present"
-"(1S)-1-[[2-[(4-Methoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","","","","","","","","","","","","","","","","","","","(1S)-1-[[2-[(4-Methoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","COC1=CC=C(C=C1)CC2=NC3=C(N2CC4CCCN5C4CCCC5)C=CC(=C3)[N+](=O)[O-]","ZNPZRHFEKKYHGT-HSTJUUNISA-N","397753",NA,"PDBC03703","706175","Present"
-"(1S)-2-(1-Phenylethylamino)cyclohexan-1-ol","","","","","","","","","","","","","","","","","","","","(1S)-2-(1-Phenylethylamino)cyclohexan-1-ol","","CC(C1=CC=CC=C1)NC2CCCCC2O","NYCFBNYPXMBDES-UBHUBRDASA-N","357636",NA,"PDBC03704","617161","Present"
-"(1S)-2-Benzyl-6,8-dimethoxy-1,3-dimethyl-5-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline","","","","","","","","","","","","","","","","","","","","(1R,3S)-5-(4-Tolyl)-1,2,3,4-tetrahydro-1,3-dimethyl-6,8-...","","CC1CC2=C(C(=CC(=C2C(N1CC3=CC=CC=C3)C)OC)OC)C4=CC=C(C=C4)C","BTXUAKYLSLIJMI-ANYOKISRSA-N","378445",NA,"PDBC03705","660984","Present"
-"(1S)-2-[[(1R)-1-Phenylethyl]amino]cyclohexan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S)-2-[[(1R)-1-Phenylethyl]amino]cyclohexan-1-ol;hydrochloride","","CC(C1=CC=CC=C1)NC2CCCCC2O.Cl","BCCOQJSGYYMLLQ-WEVUIEQMSA-N","357645",NA,"PDBC03706","617167","Present"
-"(1S)-2-[[(1R)-1-Phenylethyl]amino]cyclopentan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S)-2-[[(1R)-1-Phenylethyl]amino]cyclopentan-1-ol;hydrochloride","","CC(C1=CC=CC=C1)NC2CCCC2O.Cl","WPTDBFWVQTVLGH-BHHIXOSCSA-N","357641",NA,"PDBC03707","617165","Present"
-"(1S)-5,7,18-Trioxa-12-azahexacyclo[10.7.1.02,10.04,8.015,20.017,19]icosa-2,4(8),9-triene-11,13-dione","","","","","","","","","","","","","","","","","","","","(1S)-5,7,18-Trioxa-12-azahexacyclo[10.7.1.02,10.04,8.015,20.017,19]icosa-2,4(8),9-triene-11,13-dione","","C1C2CC(=O)N3C2C(C4C1O4)C5=CC6=C(C=C5C3=O)OCO6","KDZJEULNTPVKAH-HLPSKGQXSA-N","375348",NA,"PDBC03708","654973","Present"
-"(1S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,17-tetraene-11,13-dione","","","","","","","","","","","","","","","","","","","","(1S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,17-tetraene-11,13-dione","","C1C=CC2C3C1CC(=O)N3C(=O)C4=CC5=C(C=C24)OCO5","FKKBAODXESJEFJ-WWNCPBBQSA-N","375347",NA,"PDBC03709","654972","Present"
-"(1S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol;2,4,6-trinitrophenol","","","","","","","","","","","","","","","","","","","","(1S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol;2,4,6-trinitrophenol","","C1CN2CC3=CC4=C(C=C3C5C2C1CC(C5O)O)OCO4.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","MDVROYDZPMMJCH-AVQFPDTQSA-N","375355",NA,"PDBC03710","654980","Present"
-"(1S)-5-Oxo-6-thio toluyl-benzyl borneol ether","","","","","","","","","","","","","","","","","","","","(1S)-5-Oxo-6-thio toluyl-benzyl borneol ether","","CC1=CC=C(C=C1)SC2C(=O)C3CC(C2(C3(C)C)C)OCC4=CC=CC=C4","ZPLMHWNDHMXWMQ-UHFFFAOYSA-N","376750",NA,"PDBC03711","657804","Present"
-"(1S)-5-Oxo-borneol","","","","","","","","","","","","","","","","","","","","(1S)-5-Oxo-borneol","","CC1(C2CC(C1(CC2=O)C)O)C","ASKUROQIUGODMQ-UHFFFAOYSA-N","189214",NA,"PDBC03712","657807","Present"
-"(1S)-5-exo-Acetoxy bornyl acetate","","","","","","","","","","","","","","","","","","","","(1S)-5-exo-Acetoxy bornyl acetate","","CC(=O)OC1CC2C(CC1(C2(C)C)C)OC(=O)C","NVCJQWDGDMQBEX-UHFFFAOYSA-N","376752",NA,"PDBC03713","657808","Present"
-"(1S,12R)-1,12-Dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,8-tetraen-11-one","","","","","","","","","","","","","","","","","","","","(1S,12R)-1,12-Dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,8-tetraen-11-one","","CC(C)C1=CC2=C(C=C1)C3(CCCC4(C3C(=C2)OC4=O)C)C","XZQMGTSVFBJVSX-IPNZSQQUSA-N","461867",NA,"PDBC03714","660820","Present"
-"(1S,12S,13R,15S)-13,15-Dibromo-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene","","","","","","","","","","","","","","","","","","","","(1S,12S,13R,15S)-13,15-Dibromo-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene","","C1C2C(C(C1Br)C3=NC4=CC=CC=C4N=C23)Br","QOJHWZCVLHYPBW-QPYBSBGSSA-N","399194",NA,"PDBC03715","709856","Present"
-"(1S,13R)-1,13-Dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S,13R)-1,13-Dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-amine;hydrochloride","","CC1C2CC3=C(C1(CCN2CCC4=CC=CC=C4)C)C=CC(=C3)N.Cl","PYICSTIAFXGCOR-UIVFSXBESA-N","398563",NA,"PDBC03716","708535","Present"
-"(1S,13R)-10-[2-(4-Aminophenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S,13R)-10-[2-(4-Aminophenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride","","CC1C2CC3=C(C1(CCN2CCC4=CC=C(C=C4)N)C)C=CC(=C3)O.Cl","GYGXKLUICVXEBG-QGFFXIQTSA-N","398561",NA,"PDBC03717","708534","Present"
-"(1S,15S)-12-Cyclohexyl-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione","","","","","","","","","","","","","","","","","","","","(1S,15S)-12-Cyclohexyl-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione","","C1CCC(CC1)C2C3=C(CC4N2C(=O)C5CCCN5C4=O)C6=CC=CC=C6N3","OVKNUBUHNCPVSB-CHEUHSMRSA-N","397172",NA,"PDBC03718","704577","Present"
-"(1S,15S)-15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol","","","","","","","","","","","","","","","","","","","","(1S,15S)-15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol","","COC1CC2C3(C=C1)C(CN2C(C4=CC5=C(C=C34)OCO5)O)O","ZSTPNQLNQBRLQF-OWMZEILZSA-N","402596",NA,"PDBC03719","716726","Present"
-"(1S,16S,18R)-19-Hydroxy-5,7,17-trioxa-12-azahexacyclo[10.7.1.02,10.04,8.015,20.016,18]icosa-2,4(8),9-trien-11-one","","","","","","","","","","","","","","","","","","","","(1S,16S,18R)-19-Hydroxy-5,7,17-trioxa-12-azahexacyclo[10.7.1.02,10.04,8.015,20.016,18]icosa-2,4(8),9-trien-11-one","","C1CN2C3C1C4C(O4)C(C3C5=CC6=C(C=C5C2=O)OCO6)O","YYZCFSHBOPGFQJ-UZMRKQKWSA-N","375350",NA,"PDBC03720","654975","Present"
-"(1S,21S)-12-Oxa-8-azapentacyclo[17.3.1.02,7.08,21.015,20]tricosa-2,4,6,15(20),16,18-hexaen-11-one","","","","","","","","","","","","","","","","","","","","(1S,21S)-12-Oxa-8-azapentacyclo[17.3.1.02,7.08,21.015,20]tricosa-2,4,6,15(20),16,18-hexaen-11-one","","C1CN2C3CC(CC4=CC=CC(=C34)CCOC1=O)C5=CC=CC=C52","OYHZIZWEBRSKBB-LPHOPBHVSA-N","5470593",NA,"PDBC03721","703181","Present"
-"(1S,2E,10E,14R)-3-(Hydroxymethyl)-11-methyl-7-methylidene-14-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,6-diol","","","","","","","","","","","","","","","","","","","","(1S,2E,10E,14R)-3-(Hydroxymethyl)-11-methyl-7-methylidene-14-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,6-diol","","CC1=CCCC(=C)C(CCC(=CC(C(CC1)C(=C)C)O)CO)O","KYPQXVOXYHSDSZ-VETQSTDLSA-N","24204966",NA,"PDBC03722","733758","Present"
-"(1S,2R)-2-(Benzhydrylamino)-1-(1-phenylethenyl)cyclohexan-1-ol","","","","","","","","","","","","","","","","","","","","(1S,2R)-2-(Benzhydrylamino)-1-(1-phenylethenyl)cyclohexan-1-ol","","C=C(C1=CC=CC=C1)C2(CCCCC2NC(C3=CC=CC=C3)C4=CC=CC=C4)O","JHDLRFWEWSYBQD-VPUSJEBWSA-N","6711307",NA,"PDBC03723","617274","Present"
-"(1S,2R)-Cyclohexane-1,2-diamine;1-phosphonato-N-(phosphonatomethyl)methanamine;platinum(2+)","","","","","","","","","","","","","","","","","","","","cis-Cyclohexane-1,2-diamine-[iminobis(nethylphosphonato)...","","C1CCC(C(C1)N)N.C(NCP(=O)([O-])[O-])P(=O)([O-])[O-].[Pt+2]","RRZIYJZNZNMZNP-RUTFAPCESA-J","24202202",NA,"PDBC03724","632613","Present"
-"(1S,2R)-N-[2-(3,4-Dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine;hydrobromide","","","","","","","","","","","","","","","","","","","","(1S,2R)-N-[2-(3,4-Dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine;hydrobromide","","C1CCC(C(C1)NCCC2=CC(=C(C=C2)Cl)Cl)N3CCCC3.Br","ZDNKMABALSLDHK-CJRXIRLBSA-N","401840",NA,"PDBC03725","715551","Present"
-"(1S,2R)-N-[2-(3,4-Dichlorophenyl)ethyl]-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine;hydrobromide","","","","","","","","","","","","","","","","","","","","(1S,2R)-N-[2-(3,4-Dichlorophenyl)ethyl]-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine;hydrobromide","","CN(CCC1=CC(=C(C=C1)Cl)Cl)C2CCCCC2N3CCCC3.Br","WRTQWIFZNYHLCL-GRTNUQQKSA-N","398108",NA,"PDBC03726","707472","Present"
-"(1S,2R,13R,14S,17S,18S)-2,17,18-Trimethyl-6,9-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,10-dien-17-ol","","","","","","","","","","","","","","","","","","","","(1S,2R,13R,14S,17S,18S)-2,17,18-Trimethyl-6,9-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,10-dien-17-ol","","CC12CCC3=NCCN3C1=CCC4C2CCC5(C4CCC5(C)O)C","IYTWAYCUKKPIHQ-TTYLFXKOSA-N","248504",NA,"PDBC03727","65683","Present"
-"(1S,2R,17R)-18-(Cyclopropylmethyl)-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaen-12-ol","","","","","","","","","","","","","","","","","","","","(1S,2R,17R)-18-(Cyclopropylmethyl)-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaen-12-ol","","C1CC1CN2CCC34C5C2CC6=C3C(=C(C=C6)O)OC4C7=C(C5)C=NN7","CUXKILHHPZFMOE-VCTRGTQWSA-N","11969683",NA,"PDBC03728","611233","Present"
-"(1S,2R,17R)-18-Methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaen-12-ol","","","","","","","","","","","","","","","","","","","","(1S,2R,17R)-18-Methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaen-12-ol","","CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C6=C(C4)C=NN6","YQIRCENLRUZGHC-WYBZEITLSA-N","6711276",NA,"PDBC03729","611230","Present"
-"(1S,2R,3R,4S,8E,12R,13S)-2,3,12-Trihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadec-8-en-15-one","","","","","","","","","","","","","","","","","","","","(1S,2R,3R,4S,8E,12R,13S)-2,3,12-Trihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadec-8-en-15-one","","CC1CCCC(=CCCC(C2CC(C(C1O)O)C(=C)C(=O)O2)(C)O)C","BUWBYKNJAXDGRB-JJFWNEBZSA-N","5469630",NA,"PDBC03730","690972","Present"
-"(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C)O)O)O)C)C)C2C1C)C(=O)O)C(=O)O","PUOQHFWXBKTHST-QZISOCEWSA-N","390624",NA,"PDBC03731","688226","Present"
-"(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C)O)O)O)C)C)C2C1C)C(=O)O)C(=O)OC7C(C(C(C(O7)CO)O)O)O","AQLCKWUMMOZIEY-NCNCBBAWSA-N","390625",NA,"PDBC03732","688227","Present"
-"(1S,2R,4R)-2-[Ethoxy(methylsulfinylmethyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane","","","","","","","","","","","","","","","","","","","","(1S,2R,4R)-2-[Ethoxy(methylsulfinylmethyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane","","CCOP(=O)(CS(=O)C)OC1CC(CCC1C(C)C)C","WJFOFVYWUDNMFL-MTHQAXEFSA-N","402909",NA,"PDBC03733","717231","Present"
-"(1S,2R,4R,8R)-15-Hydroxyspiro[5,7,9,14-tetraoxapentacyclo[10.6.0.02,15.03,10.04,8]octadeca-10,16-diene-6,1'-cyclohexane]-18-one","","","","","","","","","","","","","","","","","","","","(1S,2R,4R,8R)-15-Hydroxyspiro[5,7,9,14-tetraoxapentacyclo[10.6.0.02,15.03,10.04,8]octadeca-10,16-diene-6,1'-cyclohexane]-18-one","","C1CCC2(CC1)OC3C4C5C6C(COC5(C=CC6=O)O)C=C4OC3O2","GDCVGUSFNRPOAZ-MWDOMAFCSA-N","367567",NA,"PDBC03734","637400","Present"
-"(1S,2R,4S,5R,7S,9R)-1,2,4,5,7,9-Hexamethyl-3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane","","","","","","","","","","","","","","","","","","","","(1S,2R,4S,5R,7S,9R)-1,2,4,5,7,9-Hexamethyl-3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane","","CC12C(O1)(C3(C(O3)(OC4(C2(O4)C)C)C)C)C","GKBCLQUAMHOKQE-KUDAMMAASA-N","397374",NA,"PDBC03735","705027","Present"
-"(1S,2R,5E,10R,11S,12R,16S)-2-Hydroxy-2,6,10-trimethyl-15-(phenylsulfanylmethyl)-13,18-dioxatricyclo[9.6.1.012,16]octadec-5-en-14-one","","","","","","","","","","","","","","","","","","","","(1S,2R,5E,10R,11S,12R,16S)-2-Hydroxy-2,6,10-trimethyl-15-(phenylsulfanylmethyl)-13,18-dioxatricyclo[9.6.1.012,16]octadec-5-en-14-one","","CC1CCCC(=CCCC(C2CC3C(C(=O)OC3C1O2)CSC4=CC=CC=C4)(C)O)C","KAWKSVZQTQFMCS-LHWUCHHOSA-N","5469629",NA,"PDBC03736","690971","Present"
-"(1S,2R,5S,7S,11R,12S,13R)-2-Hydroxy-16-(hydroxymethyl)-2,7,11-trimethyl-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadec-16-en-15-one","","","","","","","","","","","","","","","","","","","","(1S,2R,5S,7S,11R,12S,13R)-2-Hydroxy-16-(hydroxymethyl)-2,7,11-trimethyl-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadec-16-en-15-one","","CC1CCCC2(C(O2)CCC(C3CC4=C(C(=O)OC4C1O3)CO)(C)O)C","AFHMRMOLJSAPOS-RBJBTPEUSA-N","390111",NA,"PDBC03737","687102","Present"
-"(1S,2R,5Z,9S,14S)-14-(3-Hydroxyphenyl)-9-methoxy-13-oxatricyclo[7.3.2.01,14]tetradec-5-en-3,7-diyn-2-ol","","","","","","","","","","","","","","","","","","","","(1S,2R,5Z,9S,14S)-14-(3-Hydroxyphenyl)-9-methoxy-13-oxatricyclo[7.3.2.01,14]tetradec-5-en-3,7-diyn-2-ol","","COC12CCCC3(C1(O3)C4=CC(=CC=C4)O)C(C#CC=CC#C2)O","OPDNBKQWZXCVNZ-XJDJMWQOSA-N","5470323",NA,"PDBC03738","699643","Present"
-"(1S,2R,6E,10R,11S,12R,16S)-2-Hydroxy-2,6,10-trimethyl-15-methylidene-13,18-dioxatricyclo[9.6.1.012,16]octadec-6-en-14-one","","","","","","","","","","","","","","","","","","","","(1S,2R,6E,10R,11S,12R,16S)-2-Hydroxy-2,6,10-trimethyl-15-methylidene-13,18-dioxatricyclo[9.6.1.012,16]octadec-6-en-14-one","","CC1CCC=C(CCCC(C2CC3C(C1O2)OC(=O)C3=C)(C)O)C","QVPVSSAPUVLMJP-NLFWLNTISA-N","5469904",NA,"PDBC03739","694074","Present"
-"(1S,2R,6R,9R,10R,13S,15S)-5-[(E,2R,5S)-5,6-Dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol","","","","","","","","","","","","","","","","","","","","(1S,2R,6R,9R,10R,13S,15S)-5-[(E,2R,5S)-5,6-Dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol","","CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C","VXOZCESVZIRHCJ-BPVWXLRGSA-N","5469431",NA,"PDBC03740","687955","Present"
-"(1S,2S)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di...","","","","","","","","","","","","","","","","","","","","(1S,2S)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di...","","","","",NA,"PDBC03741","765876","Present"
-"(1S,2S)-1-Prop-1-ynylcyclohexane-1,2-diol","","","","","","","","","","","","","","","","","","","","(1S,2S)-1-Prop-1-ynylcyclohexane-1,2-diol","","CC#CC1(CCCCC1O)O","GGYHEENUGUTBLK-DTWKUNHWSA-N","6711304",NA,"PDBC03742","617175","Present"
-"(1S,2S)-2-Acetamidocyclohexyl acetate","","","","","","","","","","","","","","","","","","","","(1S,2S)-2-Acetamidocyclohexyl acetate","","CC(=O)NC1CCCCC1OC(=O)C","BVZMBDRGQAOJGO-UWVGGRQHSA-N","398086",NA,"PDBC03743","707450","Present"
-"(1S,2S,13R,21R)-16,22-Dimethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S,2S,13R,21R)-16,22-Dimethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","CC1=C2C3=C(CC4C5(C3(CCN4C)C(O2)C6=C(C5)C7=CC=CC=C7N6)O)C=C1.Cl","GFYXJOYXEJUCKB-IIKZURRYSA-N","5471402",NA,"PDBC03744","711020","Present"
-"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=CC=C7)O5)O)C8=CC=CC=C8N6.Cl","NOXGVLCBDLNJMH-IAFVTLROSA-N","5471383",NA,"PDBC03745","711010","Present"
-"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-(3-hydroxyphenyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-(3-hydroxyphenyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)C8=CC(=CC=C8)O)O5)O)C9=CC=CC=C9N6.Cl","WOBIKFHNENXUAZ-OUZAMKAPSA-N","5471400",NA,"PDBC03746","711019","Present"
-"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-(3-methoxyphenyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-(3-methoxyphenyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","COC1=CC=CC(=C1)C2=C3C4=C(CC5C6(C4(CCN5CC7CC7)C(O3)C8=C(C6)C9=CC=CC=C9N8)O)C=C2.Cl","MXVSHQSOZNRGRL-REBVNRAYSA-N","5471396",NA,"PDBC03747","711017","Present"
-"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","CC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C7=C(C5)C8=CC=CC=C8N7)O)C=C1.Cl","MZLIMMIQMUODBP-ZHXLFDHXSA-N","5471387",NA,"PDBC03748","711012","Present"
-"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-phenyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-phenyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride","","C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)C8=CC=CC=C8)O5)O)C9=CC=CC=C9N6.Cl","XWFJYZCEJIJYOI-OUZAMKAPSA-N","5471389",NA,"PDBC03749","711013","Present"
-"(1S,2S,14R,15R,16R)-14lambda4-Thia-3-azapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-4(13),5,7,9,11,17-hexaene 14-oxide","","","","","","","","","","","","","","","","","","","","(1S,2S,14R,15R,16R)-14lambda4-Thia-3-azapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-4(13),5,7,9,11,17-hexaene 14-oxide","","C1C2C=CC1C3C2NC4=C(S3=O)C=CC5=CC=CC=C54","OVRIQMHWEPTNQL-VGSQABBKSA-N","9572255",NA,"PDBC03750","709366","Present"
-"(1S,2S,14R,22R)-23-(Cyclopropylmethyl)-17-methyl-15-oxa-12,23-diazaheptacyclo[14.9.1.01,14.02,22.04,13.06,11.020,26]hexacosa-4,6,8,10,12,16,18,20(26)-octaen-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","(1S,2S,14R,22R)-23-(Cyclopropylmethyl)-17-methyl-15-oxa-12,23-diazaheptacyclo[14.9.1.01,14.02,22.04,13.06,11.020,26]hexacosa-4,6,8,10,12,16,18,20(26)-octaen-2-ol;hydrochloride","","CC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C7=NC8=CC=CC=C8C=C7C5)O)C=C1.Cl","LPEYLPVLNIGVCD-UEKGEDQBSA-N","5471391",NA,"PDBC03751","711014","Present"
-"(1S,2S,3Ar,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-12-methylidene-10,11,13-tris(2-methylpropoxy)-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-4-one","","","","","","","","","","","","","","","","","","","","(1S,2S,3Ar,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-12-methylidene-10,11,13-tris(2-methylpropoxy)-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-4-one","","CC1CC2(C(C1O)C(C(=C)C(C(C(C(C=CC(C2=O)C)(C)C)O)OCC(C)C)OCC(C)C)OCC(C)C)O","OHEHQWIINVMVSF-GYPAEEOGSA-N","5469440",NA,"PDBC03752","688221","Present"
-"(1S,2S,3R)-1-Dimethoxyphosphoryl-1,3-diphenylpropane-1,2,3-triol","","","","","","","","","","","","","","","","","","","","(1s,2s,3r)-1-Dimethoxyphosphoryl-1,3-diphenyl-propane-1,2,3-triol","","COP(=O)(C(C1=CC=CC=C1)(C(C(C2=CC=CC=C2)O)O)O)OC","IFNOFTADTUSLHP-IKGGRYGDSA-N","398050",NA,"PDBC03753","707212","Present"
-"(1S,2S,3R)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenylpropane-1,2-diol","","","","","","","","","","","","","","","","","","","","(1s,2s,3r)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenyl-propane-1,2-diol","","COC(C1=CC=CC=C1)C(C(C2=CC=CC=C2)(O)P(=O)(OC)OC)O","UDUCETYLSJAFTA-SQNIBIBYSA-N","398048",NA,"PDBC03754","707210","Present"
-"(1S,2S,3S)-1-Dimethoxyphosphoryl-1,3-diphenylpropane-1,2,3-triol","","","","","","","","","","","","","","","","","","","","(1s,2s,3s)-1-Dimethoxyphosphoryl-1,3-diphenyl-propane-1,2,3-triol","","COP(=O)(C(C1=CC=CC=C1)(C(C(C2=CC=CC=C2)O)O)O)OC","IFNOFTADTUSLHP-ULQDDVLXSA-N","398049",NA,"PDBC03755","707211","Present"
-"(1S,2S,3S)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenylpropane-1,2-diol","","","","","","","","","","","","","","","","","","","","(1s,2s,3s)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenyl-propane-1,2-diol","","COC(C1=CC=CC=C1)C(C(C2=CC=CC=C2)(O)P(=O)(OC)OC)O","UDUCETYLSJAFTA-BZSNNMDCSA-N","398047",NA,"PDBC03756","707209","Present"
-"(1S,2S,4R,7E,11S)-8-[(E)-(3-Amino-5-bromopyridin-2-yl)iminomethyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((E)-((3-amino-5-bromopyridin-2-...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)C=NC4=C(C=C(C=N4)Br)N","UHYJERHJFJQKFT-SODJJYDYSA-N","155812136",NA,"PDBC03757","791142","Present"
-"(1S,2S,4R,7E,11S)-8-[[2-Amino-4,6-bis(trifluoromethyl)phenyl]iminomethyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((E)-((2-amino-4,6-bis(trifluoro...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)C=NC4=C(C=C(C=C4N)C(F)(F)F)C(F)(F)F","DNDXFAXZDWAGQS-USGDOMLQSA-N","155813501",NA,"PDBC03758","787466","Present"
-"(1S,2S,4R,7E,11S)-8-[[2-Amino-4-(trifluoromethyl)phenyl]iminomethyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((E)-((2-amino-4-(trifluoromethy...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)C=NC4=C(C=C(C=C4)C(F)(F)F)N","RJXVLOXLXRIXAF-XGXJOMTDSA-N","155815387",NA,"PDBC03759","788198","Present"
-"(1S,2S,4R,7E,11S)-8-[[2-Amino-6-bromo-4-(trifluoromethyl)phenyl]iminomethyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((E)-((2-amino-6-bromo-4-(triflu...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)C=NC4=C(C=C(C=C4Br)C(F)(F)F)N","LTNXWJFXCXMDNV-IXXQRXQASA-N","155808852",NA,"PDBC03760","791140","Present"
-"(1S,2S,4R,7E,11S)-8-[[4-(1H-Indol-3-ylmethyl)triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((4-((1H-indol-3-yl)methyl)-1H-1...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CC5=CNC6=CC=CC=C65","JUDKRQKDFYDSTP-UEKBPLPMSA-N","155812380",NA,"PDBC03761","800509","Present"
-"(1S,2S,4R,7E,11S)-8-[[4-(Indol-1-ylmethyl)triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((4-((1H-indol-1-yl)methyl)-1H-1...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CN5C=CC6=CC=CC=C65","VACWPPLZFVCXQV-NJTUZNMKSA-N","155806118",NA,"PDBC03762","800510","Present"
-"(1S,2S,4R,7E,11S)-8-[[4-[(5-Chloroindol-1-yl)methyl]triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((4-((5-chloro-1H-indol-1-yl)met...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CN5C=CC6=C5C=CC(=C6)Cl","FGKYLUSTMMIIST-UBKXWIOXSA-N","155817011",NA,"PDBC03763","800512","Present"
-"(1S,2S,4R,7E,11S)-8-[[4-[[2-(5-Chloro-1H-indol-3-yl)ethylamino]methyl]triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((4-(((2-(5-chloro-1H-indol-3-yl...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CNCCC5=CNC6=C5C=C(C=C6)Cl","BNJXFGJBCLMCHB-YGJDLAIGSA-N","155817377",NA,"PDBC03764","802184","Present"
-"(1S,2S,4R,7R,9S,10S,14Z)-9-Methoxy-4-phenyl-3,5,8-trioxatricyclo[8.6.0.02,7]hexadec-14-en-10-ol","","","","","","","","","","","","","","","","","","","","(1S,2S,4R,7R,9S,10S,14Z)-9-Methoxy-4-phenyl-3,5,8-trioxatricyclo[8.6.0.02,7]hexadec-14-en-10-ol","","COC1C2(CCCC=CCC2C3C(O1)COC(O3)C4=CC=CC=C4)O","XLQWQUINSQBUCA-XHEUGJQQSA-N","5471916",NA,"PDBC03765","715403","Present"
-"(1S,2S,5R,8Z,12S,20S)-5-Hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,13,15,18-tetraen-6,10-diyn-17-one","","","","","","","","","","","","","","","","","","","","(1S,2S,5R,8Z,12S,20S)-5-Hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,13,15,18-tetraen-6,10-diyn-17-one","","CC1CC(C2(C#CC=CC#CC3C14C2(O4)C5=CC(=O)C=CC5=N3)O)(OC)OC","OAGMOQFBOHDCHJ-HKWPUVMNSA-N","54608874",NA,"PDBC03766","668918","Present"
-"(1S,2S,5S,6S,9S,10R,13S)-1,5,6-Trimethyl-17-phenyl-16,18-diazapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-trien-6-ol","","","","","","","","","","","","","","","","","","","","(1S,2S,5S,6S,9S,10R,13S)-1,5,6-Trimethyl-17-phenyl-16,18-diazapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-trien-6-ol","","CC12CCC3C(C1CCC2(C)O)CCC4C3(CC5=CN=C(N=C5C4)C6=CC=CC=C6)C","PHBHRCDYKYBQFC-RSFKWRCVSA-N","236853",NA,"PDBC03767","39863","Present"
-"(1S,2S,6R,7S,9S,12S,13R,18R,19E)-19-(Dimethylhydrazinylidene)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,18-diol","","","","","","","","","","","","","","","","","","","","(1S,2S,6R,7S,9S,12S,13R,18R,19E)-19-(Dimethylhydrazinylidene)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,18-diol","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(=NN(C)C)C6(C5(CCC(C6)O)C)O)C)C)OC1","QYEUONPYGDZCIT-IONYHKMLSA-N","9572302",NA,"PDBC03768","710483","Present"
-"(1S,3'R,5R,6R,8S,12R,16R)-3',4,6,12,17,17-Hexamethylspiro[9,18,24-trioxapentacyclo[19.2.1.04,12.05,10.016,22]tetracosa-20,22-diene-8,5'-oxolane]-2',19-dione","","","","","","","","","","","","","","","","","","","","(1S,3'R,5R,6R,8S,12R,16R)-3',4,6,12,17,17-Hexamethylspiro[9,18,24-trioxapentacyclo[19.2.1.04,12.05,10.016,22]tetracosa-20,22-diene-8,5'-oxolane]-2',19-dione","","CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC5C=C6C(CCCC4(C3)C)C(OC(=O)C=C6O5)(C)C)C","DWTPZWHXVUGASY-ALKMDLPJSA-N","6711418",NA,"PDBC03769","625922","Present"
-"(1S,34R,35S,37R,41R,53S,54R)-7,8,18,28,29,35,55,56,57,58-Decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione","","","","","","","","","","","","","","","","","","","","(1S,34R,35S,37R,41R,53S,54R)-7,8,18,28,29,35,55,56,57,58-Decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,3","","CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(CO1)OC(=O)CC(CC(=O)O2)(C)O)O)O)O)C)C)(C)C)O)O)O)O","PXAJIPKKQKKYQF-CTOGHNBRSA-N","5468492",NA,"PDBC03770","670927","Present"
-"(1S,34R,35S,37R,41R,53S,54R)-7,8,18,28,29,35,55,56,58-Nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione","","","","","","","","","","","","","","","","","","","","(1S,34R,35S,37R,41R,53S,54R)-7,8,18,28,29,35,55,56,58-Nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,24,26,","","CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(CO1)OC(=O)CC(CC(=O)O2)(C)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(C(C(O1)CO)O)O)O","CJQSGSKSCOZUHT-XXEQEMTNSA-N","5468493",NA,"PDBC03771","670928","Present"
-"(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,58,59-Undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione","","","","","","","","","","","","","","","","","","","","(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,58,59-Undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.","","CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)(C)C)O)O)O)O","HGMUWZLIIKARAM-VDBSVQPBSA-N","382980",NA,"PDBC03772","670926","Present"
-"(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,59-Decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione","","","","","","","","","","","","","","","","","","","","(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,59-Decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,","","CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(C(C(O1)CO)O)O)O","KWELEGZHIBQWTP-ZSDNWLRHSA-N","382983",NA,"PDBC03773","670929","Present"
-"(1S,3Ar,4S,6R)-1,4,7-trimethyl-6-(2-methylprop-1-enyl)-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole","","","","","","","","","","","","","","","","","","","","(1S,3Ar,4S,6R)-1,4,7-trimethyl-6-(2-methylprop-1-enyl)-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole","","CC1CCC2C(CC(C3=C(C4=C(C1=C23)OC=N4)C)C=C(C)C)C","HTRVXIUUWGLCAT-DARAHFNDSA-N","394132",NA,"PDBC03774","697269","Present"
-"(1S,3R,3As,7R,7aR)-4-methyl-7-propan-2-yl-1-[(E)-prop-1-enyl]-3-(3-trimethylsilylprop-2-ynyl)-3,6,7,7a-tetrahydro-1H-2-benzofuran-3a-carbaldehyde","","","","","","","","","","","","","","","","","","","","(1S,3R,3As,7R,7aR)-4-methyl-7-propan-2-yl-1-[(E)-prop-1-enyl]-3-(3-trimethylsilylprop-2-ynyl)-3,6,7,7a-tetrahydro-1H-2-benzofuran-3a-carbaldehyde","","CC=CC1C2C(CC=C(C2(C(O1)CC#C[Si](C)(C)C)C=O)C)C(C)C","WHKOXSLWDIXKLW-NEQXNMKJSA-N","5471920",NA,"PDBC03775","715431","Present"
-"(1S,3R,5R,8E,12E,15S)-5,9,13-Trimethylspiro[4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18,1'-cyclopropane]-17-one","","","","","","","","","","","","","","","","","","","","(1S,3R,5R,8E,12E,15S)-5,9,13-Trimethylspiro[4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18,1'-cyclopropane]-17-one","","CC1=CCCC2(C(O2)CC3C(CC(=CCC1)C)OC(=O)C34CC4)C","DNGHVFVRPAPXHO-OZVFOYKCSA-N","5469940",NA,"PDBC03776","694508","Present"
-"(1S,3R,5R,8E,12E,15S,18Z)-18-Ethylidene-5,9,13-trimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one","","","","","","","","","","","","","","","","","","","","(1S,3R,5R,8E,12E,15S,18Z)-18-Ethylidene-5,9,13-trimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one","","CC=C1C2CC3C(O3)(CCC=C(CCC=C(CC2OC1=O)C)C)C","RJNXYZVXIUZUGQ-ZQBANDMSSA-N","5469939",NA,"PDBC03777","694507","Present"
-"(1S,3R,5R,8S,10S,13R)-1,5,10-Trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecan-15-one","","","","","","","","","","","","","","","","","","","","(1S,3R,5R,8S,10S,13R)-1,5,10-Trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecan-15-one","","CC(=C1C2CCC3(C(O3)CCC4(C(O4)CC2(CC1=O)C)C)C)C","YUVBUOIJKQKXOJ-CYCKGHESSA-N","6712447",NA,"PDBC03778","687108","Present"
-"(1S,3S,10Z,14R)-14-Hydroxy-3,10,14-trimethyl-6-propan-2-ylidenetricyclo[9.3.0.03,7]tetradec-10-en-5-one","","","","","","","","","","","","","","","","","","","","(1S,3S,10Z,14R)-14-Hydroxy-3,10,14-trimethyl-6-propan-2-ylidenetricyclo[9.3.0.03,7]tetradec-10-en-5-one","","CC1=C2CCC(C2CC3(CC(=O)C(=C(C)C)C3CC1)C)(C)O","HXRQTDGNKLZURY-YINRZDLESA-N","5469366",NA,"PDBC03779","687109","Present"
-"(1S,3S,4S,8S,9R,10S,11R,12R)-3-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-9,10,11-tris(phenylmethoxy)-2-oxatricyclo[6.3.1.04,12]dodec-6-en-1-ol","","","","","","","","","","","","","","","","","","","","(1S,3S,4S,8S,9R,10S,11R,12R)-3-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-9,10,11-tris(phenylmethoxy)-2-oxatricyclo[6.3.1.04,12]dodec-6-en-1-ol","","CC1(OCC(O1)C2C(OC(O2)(C)C)C3C4CC=CC5C4C(O3)(C(C(C5OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O)C","UMQHGBHPDKSLAT-GZMJYULGSA-N","402829",NA,"PDBC03780","717081","Present"
-"(1S,4Ar,8aR)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione","","","","","","","","","","","","","","","","","","","","(1S,4Ar,8aR)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione","","CC1C2CN(C(=O)CC2CC(=O)O1)CCC3CN(C4=CC=CC=C34)S(=O)(=O)C(F)(F)F","PGMSSMPOZWHEEP-LKJGZXFDSA-N","394110",NA,"PDBC03781","697247","Present"
-"(1S,4Ar,8aR)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)indol-3-yl]ethyl]-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione","","","","","","","","","","","","","","","","","","","","(1S,4Ar,8aR)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)indol-3-yl]ethyl]-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione","","CC1C2CN(C(=O)CC2CC(=O)O1)CCC3=CN(C4=CC=CC=C43)S(=O)(=O)C(F)(F)F","BLWNVVLRXORDCC-JGGQBBKZSA-N","394100",NA,"PDBC03782","697237","Present"
-"(1S,4Ar,8aR)-7-[(4-methoxyphenyl)methyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione","","","","","","","","","","","","","","","","","","","","(1S,4Ar,8aR)-7-[(4-methoxyphenyl)methyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione","","CC1C2CN(C(=O)CC2CC(=O)O1)CC3=CC=C(C=C3)OC","UFCJAHNAPOXBRE-NJZAAPMLSA-N","394105",NA,"PDBC03783","697242","Present"
-"(1S,4Ar,8aR)-7-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione","","","","","","","","","","","","","","","","","","","","(1S,4Ar,8aR)-7-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione","","CC1C2CN(C(=O)CC2CC(=O)O1)CCC3CN(C4=CC=CC=C34)C(=O)C5=CC=CC=C5","DZZHRXBAOAEVDI-XRSKCJJXSA-N","394090",NA,"PDBC03784","697228","Present"
-"(1S,4Ar,8aR)-7-[2-[5-[[3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-5-yl]methyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione","","","","","","","","","","","","","","","","","","","","(1S,4Ar,8aR)-7-[2-[5-[[3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-5-yl]methyl]-1-(trifluoromethylsulfony","","CC1C2CN(C(=O)CC2CC(=O)O1)CCC3CN(C4=C3C=C(C=C4)CC5=CC6=C(C=C5)N(CC6CCN7CC8C(OC(=O)CC8CC7=O)C)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F","ATCFRYKEXJDPKB-SDNVMOERSA-N","394113",NA,"PDBC03785","697250","Present"
-"(1S,4As,6bR,10S,12aR)-10-hydroxy-6a-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(1S,4As,6bR,10S,12aR)-10-hydroxy-6a-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)COC(=O)C=CC6=CC(=C(C=C6)O)OC)C(=O)O","BRRFDRKIGYRDOD-PSKUXPDZSA-N","5459259",NA,"PDBC03786","664161","Present"
-"(1S,4As,6bR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-prop-2-enoxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(1S,4As,6bR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-prop-2-enoxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OCC=C)C)C)C2C1C)C)C(=O)O","QHRJGWIPFKIWOB-BMBIXURVSA-N","363628",NA,"PDBC03787","628657","Present"
-"(1S,4As,6bR,10S,12aR,14bS)-10-(benzenesulfonyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(1S,4As,6bR,10S,12aR,14bS)-10-(benzenesulfonyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OS(=O)(=O)C6=CC=CC=C6)C)C)C2C1C)C)C(=O)O","BFYDIIAMUQPHHA-BIRGOHKKSA-N","363629",NA,"PDBC03788","628658","Present"
-"(1S,4As,6bR,12aS,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-2,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(1S,4As,6bR,12aS,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-2,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid","","CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O","GZKMFYLBPHPWEI-DGRUQNLJSA-N","363631",NA,"PDBC03789","628660","Present"
-"(1S,4E,8E,12R,13R)-12-Hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one","","","","","","","","","","","","","","","","","","","","(1S,4E,8E,12R,13R)-12-Hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one","","CC1=CCCC(C2CC(CCC(=CCC1)C)C(=C)C(=O)O2)(C)O","VCLOBFBJUDXQFF-LNBGVRSBSA-N","24204797",NA,"PDBC03790","732954","Present"
-"(1S,4E,8E,12R,13R)-12-Hydroxy-4,8,12-trimethylspiro[14-oxabicyclo[11.3.1]heptadeca-4,8-diene-16,1'-cyclopropane]-15-one","","","","","","","","","","","","","","","","","","","","(1S,4E,8E,12R,13R)-12-Hydroxy-4,8,12-trimethylspiro[14-oxabicyclo[11.3.1]heptadeca-4,8-diene-16,1'-cyclopropane]-15-one","","CC1=CCCC(C2CC(CCC(=CCC1)C)C3(CC3)C(=O)O2)(C)O","XNNBFZLVZXGBQA-HECNBYASSA-N","24204798",NA,"PDBC03791","732955","Present"
-"(1S,4E,8E,12R,13R)-4,8,12-Trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-12-ol","","","","","","","","","","","","","","","","","","","","(1S,4E,8E,12R,13R)-4,8,12-Trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-12-ol","","CC1=CCCC(C2CC(CCC(=CCC1)C)C(=C)CO2)(C)O","JZRCCROTDODQNI-ZNNUXXTPSA-N","24204489",NA,"PDBC03792","732058","Present"
-"(1S,4E,8E,12R,13S)-12-Hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one","","","","","","","","","","","","","","","","","","","","(1S,4E,8E,12R,13S)-12-Hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one","","CC1=CCCC(C2CC(CCC(=CCC1)C)C(=C)C(=O)O2)(C)O","VCLOBFBJUDXQFF-ZPPTYIRSSA-N","10087270",NA,"PDBC03793","732956","Present"
-"(1S,4E,8E,12R,13S)-12-Hydroxy-4,8,12-trimethylspiro[14-oxabicyclo[11.3.1]heptadeca-4,8-diene-16,1'-cyclopropane]-15-one","","","","","","","","","","","","","","","","","","","","(1S,4E,8E,12R,13S)-12-Hydroxy-4,8,12-trimethylspiro[14-oxabicyclo[11.3.1]heptadeca-4,8-diene-16,1'-cyclopropane]-15-one","","CC1=CCCC(C2CC(CCC(=CCC1)C)C3(CC3)C(=O)O2)(C)O","XNNBFZLVZXGBQA-IZPKOEMQSA-N","24205277",NA,"PDBC03794","734914","Present"
-"(1S,4E,8E,12R,13S)-4,8,12-Trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one","","","","","","","","","","","","","","","","","","","","(1S,4E,8E,12R,13S)-4,8,12-Trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one","","CC1CCC=C(CCC=C(CCC2CC1OC(=O)C2=C)C)C","MMYREIHYAJOUPD-JHRJGRAISA-N","24204490",NA,"PDBC03795","732059","Present"
-"(1S,4R,12R)-5,9,9,12-Tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-5,7-dien-3-one","","","","","","","","","","","","","","","","","","","","(1S,4R,12R)-5,9,9,12-Tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-5,7-dien-3-one","","CC1=CC=C2C(CCC3C2(C1C(=O)O3)C)(C)C","ARUBZJPDTYWSMD-SLEUVZQESA-N","359823",NA,"PDBC03796","621388","Present"
-"(1S,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-8-(4-methyl-2-oxopent-3-enyl)-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione","","","","","","","","","","","","","","","","","","","","(1S,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-8-(4-methyl-2-oxopent-3-enyl)-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione","","CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)CC(=O)C=C(C)C","FQKZHMCFLCFWHD-NXCIYNMCSA-N","394185",NA,"PDBC03797","697453","Present"
-"(1S,4R,6R,9R,11R,14R,15R)-14-Hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one","","","","","","","","","","","","","","","","","","","","(1S,4R,6R,9R,11R,14R,15R)-14-Hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one","","CC12CCC3CC(C(CCC4C(O4)(CCC1O2)C)(C)O)OC(=O)C3=C","NSYYMNPKVDJSPB-YDEBIOCVSA-N","24205275",NA,"PDBC03798","734912","Present"
-"(1S,4S,5R,8S,12R,13R)-1,5,9-Trimethyl-10-[[(1S,4S,5R,8S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane","","","","","","","","","","","","","","","","","","","","(1S,4S,5R,8S,12R,13R)-1,5,9-Trimethyl-10-[[(1S,4S,5R,8S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentade","","CC1CCC2C(C(OC3C24C1CCC(O3)(O4)C)OC5C(C6CCC(C7C68C(O5)OC(O8)(CC7)C)C)C)C","KQEOZJHTBAWJLC-PQMZQSAWSA-N","393525",NA,"PDBC03799","695583","Present"
-"(1S,4S,5R,8S,12R,13R)-10-[[(1S,4S,5R,8S,12R,13R)-1,5-Dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane","","","","","","","","","","","","","","","","","","","","(1S,4S,5R,8S,12R,13R)-10-[[(1S,4S,5R,8S,12R,13R)-1,5-Dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2","","CC1CCC2C(=C)C(OC3C24C1CCC(O3)(O4)C)OC5C(=C)C6CCC(C7C68C(O5)OC(O8)(CC7)C)C","RBEXJLLKWRXJPG-WNKYVSPXSA-N","6712467",NA,"PDBC03800","690034","Present"
-"(1S,4S,5R,8S,9S,12R,13R)-1,5,9-Trimethyl-10-[[(1S,4S,5R,8S,9S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane","","","","","","","","","","","","","","","","","","","","(1S,4S,5R,8S,9S,12R,13R)-1,5,9-Trimethyl-10-[[(1S,4S,5R,8S,9S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]p","","CC1CCC2C(C(OC3C24C1CCC(O3)(O4)C)OC5C(C6CCC(C7C68C(O5)OC(O8)(CC7)C)C)C)C","KQEOZJHTBAWJLC-KNTHCOCFSA-N","393526",NA,"PDBC03801","695584","Present"
-"(1S,4S,5R,9R,12R,13R)-1,5,9-Trimethyl-10-[2-[[(1S,4S,5R,9R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane","","","","","","","","","","","","","","","","","","","","(1S,4S,5R,9R,12R,13R)-1,5,9-Trimethyl-10-[2-[[(1S,4S,5R,9R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,","","CC1CCC2C(C(OC3C24C1CCC(O3)(O4)C)OCCOC5C(C6CCC(C7C68C(O5)OC(O8)(CC7)C)C)C)C","ITARMHUQBFBLID-HNKUJWQESA-N","6712644",NA,"PDBC03802","704065","Present"
-"(1S,4S,6S,9E,13R,14R)-13-Hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one","","","","","","","","","","","","","","","","","","","","(1S,4S,6S,9E,13R,14R)-13-Hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one","","CC1=CCCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O","YKKJETNBRNDYKN-XAFJVBEQSA-N","24204492",NA,"PDBC03803","732061","Present"
-"(1S,4S,6S,9R,11R,14R,15R)-14-Hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one","","","","","","","","","","","","","","","","","","","","(1S,4S,6S,9R,11R,14R,15R)-14-Hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one","","CC12CCC3CC(C(CCC4C(O4)(CCC1O2)C)(C)O)OC(=O)C3=C","NSYYMNPKVDJSPB-JTBPYRKJSA-N","24205276",NA,"PDBC03804","734913","Present"
-"(1S,4S,8S,11S,15S,18S)-4,11,18-Tribenzyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione","","","","","","","","","","","","","","","","","","","","(1S,4S,8S,11S,15S,18S)-4,11,18-Tribenzyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione","","CC1C2C(=O)NC(C3=NC(C(O3)C)C(=O)NC(C4=NC(C(O4)C)C(=O)NC(C(=N2)O1)CC5=CC=CC=C5)CC6=CC=CC=C6)CC7=CC=CC=C7","WRDPUOVJPNLDHH-MMMVWOSESA-N","379704",NA,"PDBC03805","664577","Present"
-"(1S,4S,9S,10R,13R,14S)-5,5,9-Trimethyl-6-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid","","","","","","","","","","","","","","","","","","","","(1S,4S,9S,10R,13R,14S)-5,5,9-Trimethyl-6-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid","","CC1(C2CCC34CC(CCC3C2(CCC1=C)C)C(C4)C(=O)O)C","NMZOPNLCOUYALZ-HGWRGTDWSA-N","6712451",NA,"PDBC03806","688225","Present"
-"(1S,4Z,4As,8aR)-4-(dimethylaminomethylidene)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)indol-3-yl]ethyl]-4a,5,8,8a-tetrahydro-1H-pyrano[3,4-c]pyridine-3,6-dione","","","","","","","","","","","","","","","","","","","","(1S,4Z,4As,8aR)-4-(dimethylaminomethylidene)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)indol-3-yl]ethyl]-4a,5,8,8a-tetrahydro-1H-pyrano[3,4-c]pyridine-3,6-dione","","CC1C2CN(C(=O)CC2C(=CN(C)C)C(=O)O1)CCC3=CN(C4=CC=CC=C43)S(=O)(=O)C(F)(F)F","DEWFJUMRJTWDMV-HIBXVJLUSA-N","5470066",NA,"PDBC03807","697246","Present"
-"(1S,5R,12R,13S)-9-[(2-{[(1S,4R,5R,8R,12R,13S)-1,5-Dimethy l)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methoxy}ethoxy)methyl]-1,5-dimethyl-10-(trifluoro methyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]he xadec-9-ene","","","","","","","","","","","","","","","","","","","","(1S,4R,5R,12R,13S)-9-[(2-{[(1S,4R,5R,8R,12R,13S)-1,5-dim...","","CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)COCCOCC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F","IEGZHCBILWXDBP-KBTZNAIJSA-N","54612640",NA,"PDBC03808","724780","Present"
-"(1S,5R,7S,8R,9S,14S)-12-Hydroxy-3,7,11,14-tetramethyltetracyclo[6.5.3.01,9.05,9]hexadeca-3,11-diene-10,13-dione","","","","","","","","","","","","","","","","","","","","(1S,5R,7S,8R,9S,14S)-12-Hydroxy-3,7,11,14-tetramethyltetracyclo[6.5.3.01,9.05,9]hexadeca-3,11-diene-10,13-dione","","CC1CCC2C(CC3C24C1(CC(=C3)C)C(=O)C(=C(C4=O)C)O)C","CGNQDBPLJCEZON-BLFZJPSUSA-N","24205278",NA,"PDBC03809","734915","Present"
-"(1S,5R,8R,12R,13S)-1,5-Dimethyl-9-methylene-11,14,15,16-t etraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-3-he xenyl)oxy]-1,5,-dimethyl-9-methylene-11,14,15,16-tetraoxatet racyclo[10.3.1.04,13.08,13]hexadecane","","","","","","","","","","","","","","","","","","","","(1S,4R,5R,8R,12R,13S)-1,5-dimethyl-9-methylene-11,14,15,...","","CC1CCC2C(=C)C(OC3C24C1CCC(O3)(OO4)C)OCC=CCOC5C(=C)C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C","VBHIZVZOWZNOCX-VBLCMYPVSA-N","54612587",NA,"PDBC03810","724784","Present"
-"(1S,5R,8R,12R,13S)-9-{[(1S,4R,5R,8R,12R,13S)-1,5-Dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1. 04,13.08,13]hexadec-9-en-9-yl]methoxy}-2-butenyl)oxy]methyl}-1,5-dimethyl-10-trifluoromethyl)-11,14,15,16-tetraoxatetrac yclo[10.3.1.04,13.08,13]hexadec-9-ene","","","","","","","","","","","","","","","","","","","","(1S,4R,5R,8R,12R,13S)-9-{[(1S,4R,5R,8R,12R,13S)-1,5-dime...","","CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)COCC=CCOCC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F","QKYGVYDWCPIOHC-ZAQHIASYSA-N","54612586",NA,"PDBC03811","724781","Present"
-"(1S,5R,8R,9R,12R,13S)-1,5,9-Trimethyl-10-[(4-{[(1S,4R,5R, 8R,9R,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracycl o[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-2-butenyl)oxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane","","","","","","","","","","","","","","","","","","","","(1S,4R,5R,8R,9R,12R,13S)-1,5,9-trimethyl-10-[(4-{[(1S,4R...","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC=CCOC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C","FYPHPAIHOJTHRN-LXEWPXTESA-N","54612641",NA,"PDBC03812","724782","Present"
-"(1S,5S,6R,10E,14R,15S,17R)-14-Hydroxy-6,10,14-trimethyl-2-methylidene-4,16-dioxatricyclo[13.2.1.05,17]octadec-10-en-3-one","","","","","","","","","","","","","","","","","","","","(1S,5S,6R,10E,14R,15S,17R)-14-Hydroxy-6,10,14-trimethyl-2-methylidene-4,16-dioxatricyclo[13.2.1.05,17]octadec-10-en-3-one","","CC1CCCC(=CCCC(C2CC3C(C1OC(=O)C3=C)O2)(C)O)C","RDFQYGQCGXTVIC-DQZSCPCJSA-N","6520568",NA,"PDBC03813","734918","Present"
-"(1S,5S,7R)-1-Phenyl-5-benzoyl-7-acetoxy-2-thiabicyclo[3.2.0]heptane-3,4-dione","","","","","","","","","","","","","","","","","","","","(1S,5S,7R)-1-Phenyl-5-benzoyl-7-acetoxy-2-thiabicyclo[3.2.0]heptane-3,4-dione","","CC(=O)OC1CC2(C1(SC(=O)C2=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","RMLSHFDAUOPKJB-TYCQWZJGSA-N","402836",NA,"PDBC03814","717089","Present"
-"(1S,5S,8R,11R,12R)-5-Methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione","","","","","","","","","","","","","","","","","","","","(1S,5S,8R,11R,12R)-5-Methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione","","CC12CCCC3(C1CCC45C3(CCC(C4)(C(=C)C5=O)OC)C)OC2=O","UCXBBKCPRLOQQA-HBXWJTHTSA-N","6712298",NA,"PDBC03815","666385","Present"
-"(1S,5S,8R,9S,11S,12R)-1,12-Dihydroxy-5,9,12-trimethyl-11-(2-methylprop-1-enyl)-2-oxatricyclo[6.4.1.04,13]tridec-4(13)-en-3-one","","","","","","","","","","","","","","","","","","","","(1S,5S,8R,9S,11S,12R)-1,12-Dihydroxy-5,9,12-trimethyl-11-(2-methylprop-1-enyl)-2-oxatricyclo[6.4.1.04,13]tridec-4(13)-en-3-one","","CC1CCC2C(CC(C(C3(C2=C1C(=O)O3)O)(C)O)C=C(C)C)C","MPBLUBDRLXELAD-MJYPGYOBSA-N","54612670",NA,"PDBC03816","734919","Present"
-"(1S,6S,8As)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol","","","","","","","","","","","","","","","","","","","","(1S,6S,8As)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol","","CC12CCC(CC1CCCC2O)O","MPZJXFSZLAPMGN-KQFSYOIOSA-N","6711344",NA,"PDBC03817","620555","Present"
-"(1S,7Ar)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione","","","","","","","","","","","","","","","","","","","","(1'S,7a'R)-7'-methoxy-6'-methyl-1'-phenyl-1'H-spiro[cycl...","","CC1=C(C2C(OC3(N2C1=O)C=CC(=O)C=C3)C4=CC=CC=C4)OC","BYMYFBAETFNIPY-RDJZCZTQSA-N","155811869",NA,"PDBC03818","780901","Present"
-"(1S,7R,11R)-1,8,11-Trimethyl-10-methylidene-4-phenyl-11-[(2S)-thiolan-2-yl]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione","","","","","","","","","","","","","","","","","","","","(1S,7R,11R)-1,8,11-Trimethyl-10-methylidene-4-phenyl-11-[(2S)-thiolan-2-yl]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione","","CC1=CC2(C(=C)C(C1N3N2C(=O)N(C3=O)C4=CC=CC=C4)(C)C5CCCS5)C","TXTMIJWSWZUDTG-UDKICSLYSA-N","397871",NA,"PDBC03819","706495","Present"
-"(1S,7R,9R,10S,12S,14S)-7-Methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one","","","","","","","","","","","","","","","","","","","","(1S,7R,9R,10S,12S,14S)-7-Methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one","","CC1CC2(C(=C(C(=O)O2)C)CC34C15C(O5)CC3(O4)C)OC","QHRGWKWECSOVCO-GADBJVALSA-N","389711",NA,"PDBC03820","686291","Present"
-"(1S,8R,9S)-8-[[3-[[(1S,8R,9S)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene","","","","","","","","","","","","","","","","","","","","(1S,8R,9S)-8-[[3-[[(1S,8R,9S)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-t","","CC1(C2CC1C3=CN=C(C=C3C2CC4=CC(=CC=C4)CC5C6CC(C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C","BKBCQMDTIWHCSA-BPUVTEHRSA-N","6712471",NA,"PDBC03821","690441","Present"
-"(1S,8S)-11,33-Bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol","","","","","","","","","","","","","","","","","","","","(1S,8S)-11,33-Bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-","","C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C9C12CCN(C(C1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1","APSUXPSYBJVPPS-WWIGWNOJSA-N","398101",NA,"PDBC03822","707466","Present"
-"(1S,9E,13R,14R)-4,9,13-Trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-13-ol","","","","","","","","","","","","","","","","","","","","(1S,9E,13R,14R)-4,9,13-Trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-13-ol","","CC1=CCCC(C2CC(CCC3(C(O3)CC1)C)C(=C)CO2)(C)O","YHNMCCUZIVINBV-AZIOPETGSA-N","24205017",NA,"PDBC03823","733975","Present"
-"(1S,9E,13R,14S)-4,9,13-Trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one","","","","","","","","","","","","","","","","","","","","(1S,9E,13R,14S)-4,9,13-Trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one","","CC1CCC=C(CCC2C(O2)(CCC3CC1OC(=O)C3=C)C)C","CBTAIMAIKPTRHT-NFCNRZIQSA-N","24204491",NA,"PDBC03824","732060","Present"
-"(1S,9R)-3,13-Dihydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one","","","","","","","","","","","","","","","","","","","","(1S,9R)-3,13-Dihydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one","","CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)O","ZWQASBQIJWESEN-XIKOKIGWSA-N","6711280",NA,"PDBC03825","611268","Present"
-"(1S,9R)-N,1,16-Trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-amine","","","","","","","","","","","","","","","","","","","","(1S,9R)-N,1,16-Trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-amine","","CC12C3=CC=CC=C3C(N1C)CC4=C2C=C(C=C4)NC","HSNWLFCNURQKRT-QZTJIDSGSA-N","6712747",NA,"PDBC03826","708853","Present"
-"(1S,9S)-8-[[2-[[(1S,8R,9S)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene","","","","","","","","","","","","","","","","","","","","6,8-Methanoisoquinoline, 5,5'-(1,2-phenylenebismethyl)bi...","","CC1(C2CC1C3=CN=C(C=C3C2CC4=CC=CC=C4CC5C6CC(C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C","ZGRRJKFUEWVBDQ-UDCMKDCESA-N","6712410",NA,"PDBC03827","681463","Present"
-"(1S,9S)-8-[[3-[[(1S,8R,9S)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene","","","","","","","","","","","","","","","","","","","","6,8-Methanoisoquinoline, 5,5'-(1,3-phenylenedimethyene) ...","","CC1(C2CC1C3=CN=C(C=C3C2CC4=CC(=CC=C4)CC5C6CC(C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C","BKBCQMDTIWHCSA-UDCMKDCESA-N","6712409",NA,"PDBC03828","681462","Present"
-"(1Z)-1-(1-Acetyl-2-hydroxy-2H-indol-3-ylidene)propan-2-one","","","","","","","","","","","","","","","","","","","","(1Z)-1-(1-Acetyl-2-hydroxy-2H-indol-3-ylidene)propan-2-one","","CC(=O)C=C1C(N(C2=CC=CC=C21)C(=O)C)O","QMZSBQCLZJCUDK-XFFZJAGNSA-N","5387215",NA,"PDBC03829","621860","Present"
-"(1Z)-1-(1-Acetyl-2-methoxy-2H-indol-3-ylidene)propan-2-one","","","","","","","","","","","","","","","","","","","","(1Z)-1-(1-Acetyl-2-methoxy-2H-indol-3-ylidene)propan-2-one","","CC(=O)C=C1C(N(C2=CC=CC=C21)C(=O)C)OC","QNRGEYUNYRZINQ-WQLSENKSSA-N","5387216",NA,"PDBC03830","621861","Present"
-"(1Z)-1-(10-Methyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,10-pentaen-12-ylidene)hexan-2-one","","","","","","","","","","","","","","","","","","","","(1Z)-1-(10-Methyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,10-pentaen-12-ylidene)hexan-2-one","","CCCCC(=O)C=C1C=C(NC2=CC=CC3=C2N1N=C3)C","CUXLXOSXQKMOAH-UVTDQMKNSA-N","5471036",NA,"PDBC03831","707689","Present"
-"(1Z)-1-[(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethylamino)methylene]-7-[(8Z)-8-[(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)methylene]-6-hydroxy-5-isopropyl-3-methyl-7-oxo-2-naphthyl]-3-hydroxy-4-isopropyl-6-methyl-naphthalen-2-one","","","","","","","","","","","","","","","","","","","","1-(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyliminomethyl)-7-[8-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyliminomethyl)-6,7-dihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-6-methyl-4","","CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=C4C=NCC5CCCN6C5CCCC6)O)O)C(C)C)C(=C(C(=C2C(C)C)O)O)C=NCC7CCCN8C7CCCC8","CUTKZUMSJFQCHY-UHFFFAOYSA-N","393993",NA,"PDBC03832","697096","Present"
-"(1Z)-1-[(Acridin-9-ylamino)methylene]-7-[(8Z)-8-[(acridin-9-ylamino)methylene]-6-hydroxy-5-isopropyl-3-methyl-7-oxo-2-naphthyl]-3-hydroxy-4-isopropyl-6-methyl-naphthalen-2-one","","","","","","","","","","","","","","","","","","","","(1Z)-1-[(Acridin-9-ylamino)methylidene]-7-[(8Z)-8-[(acridin-9-ylamino)methylidene]-6-hydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one","","CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=O)C4=CNC5=C6C=CC=CC6=NC7=CC=CC=C75)O)C(C)C)C(=CNC8=C9C=CC=CC9=NC1=CC=CC=C18)C(=O)C(=C2C(C)C)O","HGAWWVKBUOVZAC-IOCOXZLVSA-N","5470045",NA,"PDBC03833","697099","Present"
-"(1Z)-1-[5-(4-Chloroanilino)-11-[(3Z)-5-(4-chloroanilino)-3-[(4-chlorophenyl)carbamothioylimino]-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-ylidene]-3-(4-chlorophenyl)thiourea","","","","","","","","","","","","","","","","","","","","(1Z)-1-[5-(4-Chloroanilino)-11-[(3Z)-5-(4-chloroanilino)-3-[(4-chlorophenyl)carbamothioylimino]-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-4,8-dithia-6,11-diazatricyclo[","","C1CN(CC2=C1C3=C(S2)N=C(SC3=NC(=S)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)Cl)N6CCC7=C(C6)SC8=C7C(=NC(=S)NC9=CC=C(C=C9)Cl)SC(=N8)NC1=CC=C(C=C1)Cl","ONEGFEVVZAKQMU-IJDKBALUSA-N","9572140",NA,"PDBC03834","704849","Present"
-"(1Z)-1-[[(5-Aminonaphthalen-1-yl)amino]methylidene]-7-[(8Z)-8-[[(5-aminonaphthalen-1-yl)amino]methylidene]-6-hydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one","","","","","","","","","","","","","","","","","","","","(1Z)-1-[[(5-Aminonaphthalen-1-yl)amino]methylidene]-7-[(8Z)-8-[[(5-aminonaphthalen-1-yl)amino]methylidene]-6-hydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3-hydroxy-6-methyl-4-propan-2-ylnaphth","","CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=O)C4=CNC5=CC=CC6=C5C=CC=C6N)O)C(C)C)C(=CNC7=CC=CC8=C7C=CC=C8N)C(=O)C(=C2C(C)C)O","LVLUIRKIYAGJMP-XCKRHRGHSA-N","5470081",NA,"PDBC03835","697483","Present"
-"(1Z)-12-Methylidene-1-(3-methylsulfanylpropylsulfanyl)cyclododecene","","","","","","","","","","","","","","","","","","","","NSC666411","","CSCCCSC1=CCCCCCCCCCC1=C","IJRWYEZCWZCGKD-LGMDPLHJSA-N","5468237",NA,"PDBC03836","666411","Present"
-"(1Z)-2-(Methylamino)-N-(4-methylphenyl)sulfonylethanimidoyl chloride","","","","","","","","","","","","","","","","","","","","2-(Methylamino)-N-((4-methylphenyl)sulfonyl)ethanimidoyl chloride","","CC1=CC=C(C=C1)S(=O)(=O)N=C(CNC)Cl","KPTLQKCMVDTPPR-RAXLEYEMSA-N","6154624",NA,"PDBC03837","193457","Present"
-"(1Z)-3,4,4-Trichloro-N,N-diethyl-2-nitro-1-phenylsulfanylbuta-1,3-dien-1-amine","","","","","","","","","","","","","","","","","","","","(1Z)-3,4,4-Trichloro-N,N-diethyl-2-nitro-1-phenylsulfanylbuta-1,3-dien-1-amine","","CCN(CC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC1=CC=CC=C1","BSSHFVDKNXCJFP-OWBHPGMISA-N","1550445",NA,"PDBC03838","678030","Present"
-"(1Z)-3-Hydroxy-7-[(8Z)-6-hydroxy-5-isopropyl-3-methyl-7-oxo-8-[(2-pyridylamino)methylene]-2-naphthyl]-4-isopropyl-6-methyl-1-[(2-pyridylamino)methylene]naphthalen-2-one","","","","","","","","","","","","","","","","","","","","(1Z)-3-Hydroxy-7-[(8Z)-6-hydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-2-ylamino)methylidene]naphthalen-2-yl]-6-methyl-4-propan-2-yl-1-[(pyridin-2-ylamino)methylidene]naphthalen-2-one","","CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=O)C4=CNC5=CC=CC=N5)O)C(C)C)C(=CNC6=CC=CC=N6)C(=O)C(=C2C(C)C)O","LFSUEEBUCHJGCP-CDSIFPFTSA-N","5470043",NA,"PDBC03839","697097","Present"
-"(1Z)-3-Hydroxy-7-[(8Z)-6-hydroxy-5-isopropyl-3-methyl-7-oxo-8-[[(4-phenylthiazol-2-yl)amino]methylene]-2-naphthyl]-4-isopropyl-6-methyl-1-[[(4-phenylthiazol-2-yl)amino]methylene]naphthalen-2-one","","","","","","","","","","","","","","","","","","","","(1Z)-3-Hydroxy-7-[(8Z)-6-hydroxy-3-methyl-7-oxo-8-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]-5-propan-2-ylnaphthalen-2-yl]-6-methyl-1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]-4-propan-2-yl","","CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=O)C4=CNC5=NC(=CS5)C6=CC=CC=C6)O)C(C)C)C(=CNC7=NC(=CS7)C8=CC=CC=C8)C(=O)C(=C2C(C)C)O","QAOFWIHZANZHPL-HLQQZESDSA-N","6400003",NA,"PDBC03840","697098","Present"
-"(1Z)-4-Tert-butyl-1-[(2Z)-2-(4-tert-butyl-3,5-dioxo-4-aza-1-azonia-2-azanidacyclopent-1-ylidene)-1,2-diphenyl-ethylidene]-4-aza-1-azonia-2-azanidacyclopentane-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-1-[(E)-2-(4-tert-butyl-3,5-dioxo-1,2,4-triazol-1-ium-1-yl)-1,2-diphenylethenyl]-5-oxo-1,2,4-triazol-3-olate","","CC(C)(C)N1C(=NN(C1=O)C(=C(C2=CC=CC=C2)[N+]3=NC(=O)N(C3=O)C(C)(C)C)C4=CC=CC=C4)[O-]","TZEACJLEMOQVNK-FMQUCBEESA-N","5466446",NA,"PDBC03841","691595","Present"
-"(1Z)-N-Acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-2-bromopropanimidate","","","","","","","","","","","","","","","","","","","","(1Z)-N-Acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-2-bromopropanimidate","","","","",NA,"PDBC03842","676859","Present"
-"(1Z,2E)-N'~1~,N'~2~-Bis[(Z)-(3-nitrophenyl)methylidene]ethanedihydrazonamide","","","","","","","","","","","","","","","","","","","","(1Z,2E)-N'~1~,N'~2~-Bis[(Z)-(3-nitrophenyl)methylidene]ethanedihydrazonamide","","C1=CC(=CC(=C1)[N+](=O)[O-])C=NN=C(C(=NN=CC2=CC(=CC=C2)[N+](=O)[O-])N)N","CSHXMCLBPGZPCS-QJUDHZBZSA-N","54609617",NA,"PDBC03843","46698","Present"
-"(1Z,3E)-4-(Benzotriazol-1-yl)-1,2-dichloro-N'-(4-ethoxyphenyl)-3-nitro-N-phenylbuta-1,3-diene-1,4-diamine","","","","","","","","","","","","","","","","","","","","(1Z,3E)-4-(Benzotriazol-1-yl)-1,2-dichloro-N'-(4-ethoxyphenyl)-3-nitro-N-phenylbuta-1,3-diene-1,4-diamine","","CCOC1=CC=C(C=C1)NC(=C(C(=C(NC2=CC=CC=C2)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3","UIFQQYNVFNLUKJ-MBALSZOMSA-N","5470207",NA,"PDBC03844","698390","Present"
-"(1Z,3E)-N-(2-Aminoethyl)-4-(benzotriazol-1-yl)-1,2-dichloro-N'-(4-ethoxyphenyl)-3-nitrobuta-1,3-diene-1,4-diamine","","","","","","","","","","","","","","","","","","","","(1Z,3E)-N-(2-Aminoethyl)-4-(benzotriazol-1-yl)-1,2-dichloro-N'-(4-ethoxyphenyl)-3-nitrobuta-1,3-diene-1,4-diamine","","CCOC1=CC=C(C=C1)NC(=C(C(=C(NCCN)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","UKVFYPDFKHLLBP-XPWSMXQVSA-N","5470202",NA,"PDBC03845","698381","Present"
-"(1Z,3Z,5Z,7Z)-1,5-Diphenyl-3,7-bis[4-(trifluoromethyl)phenyl]-1$l^{4},5$l^{4}-dithia-2,4,6,8-tetrazacycloocta-1,3,5,7-tetraene","","","","","","","","","","","","","","","","","","","","(3Z,7Z)-1,5-Diphenyl-3,7-bis[4-(trifluoromethyl)phenyl]-1lambda4,5lambda4-dithia-2,4,6,8-tetrazacycloocta-1,3,5,7-tetraene","","C1=CC=C(C=C1)S2=NC(=NS(=NC(=N2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4)C5=CC=C(C=C5)C(F)(F)F","HOSMOZJNHHEKAS-INEDAAGTSA-N","9571633",NA,"PDBC03846","692652","Present"
-"(1Z,4E)-1,5-Bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one","","","","","","","","","","","","","","","","","","","","(1Z,4E)-1,5-Bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one","","C1=CC(=C(C=C1Br)C=CC(=O)C=CC2=C(C=CC(=C2)Br)O)O","GHQJYKKGXCSWOF-SOSXVSKCSA-N","54603154",NA,"PDBC03847","4582","Present"
-"(2'R,3R)-2'-(2-Pyridinyl)spiro[3H-indole-3,1'-cyclopropan]-2(1H)-one","","","","","","","","","","","","","","","","","","","","(2'R,3R)-2'-Pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one","","C1C(C12C3=CC=CC=C3NC2=O)C4=CC=CC=N4","ZCZVSRKERIIHOL-NHYWBVRUSA-N","396463",NA,"PDBC03848","702437","Present"
-"(2'R,3Z,4'Ar,6'S,8R,8'aS)-6'-methoxy-2'-phenylspiro[2,5,6,7-tetrahydrooxocine-8,7'-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine]","","","","","","","","","","","","","","","","","","","","(2'R,3Z,4'Ar,6'S,8R,8'aS)-6'-methoxy-2'-phenylspiro[2,5,6,7-tetrahydrooxocine-8,7'-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine]","","COC1C2(CCCC=CCO2)CC3C(O1)COC(O3)C4=CC=CC=C4","ROOKXJQFOVUOKG-SVDNYSCRSA-N","5471917",NA,"PDBC03849","715406","Present"
-"(2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methyl butanoate (non-preferred name)","","","","","","","","","","","","","","","","","","","","1,2,3,4-di-O-isopropylidene-.alpha.-D-galactose 6-O-buty...","","CCCC(=O)OCC1C2C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C","QCOXYZFUHMUEIC-UHFFFAOYSA-N","364052",NA,"PDBC03850","629691","Present"
-"(2,2-Dibromo-1,1-dimethoxyethyl)benzene","","","","","","","","","","","","","","","","","","","","1,1-dibromo-2,2-dimethoxy-2-phenylethane","","COC(C1=CC=CC=C1)(C(Br)Br)OC","WPOLJTXVJCRRKU-UHFFFAOYSA-N","380476",NA,"PDBC03851","666074","Present"
-"(2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl-triphenyl-stannane","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-4-((triphenylstannyl)methyl)-1,3,2-dioxastannolane","","CCCC[Sn]1(OCC(O1)C[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCCC","NMDHJVKGHNGJLN-UHFFFAOYSA-N","16683178",NA,"PDBC03852","633513","Present"
-"(2,2-Diiodo-1,1-dimethoxyethyl)benzene","","","","","","","","","","","","","","","","","","","","1,1-diiodo-2,2-dimethoxy-2-phenylethane","","COC(C1=CC=CC=C1)(C(I)I)OC","LRZOAPVOZRNSRW-UHFFFAOYSA-N","380477",NA,"PDBC03853","666075","Present"
-"(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 2-diazoacetate","","","","","","","","","","","","","","","","","","","","2-Diazonio-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethenolate","","CC1(OCC(O1)COC(=O)C=[N+]=[N-])C","GSLNKZGGVBLVKW-UHFFFAOYSA-N","386728",NA,"PDBC03854","679276","Present"
-"(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl N-[(4-phenyltriazol-1-yl)methyl]carbamate","","","","","","","","","","","","","","","","","","","","(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl N-[(4-phenyltriazol-1-yl)methyl]carbamate","","CC1(OCC(O1)COC(=O)NCN2C=C(N=N2)C3=CC=CC=C3)C","VUCROCAHMGVTQA-UHFFFAOYSA-N","386631",NA,"PDBC03855","679085","Present"
-"(2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)methyl 2-chlorobenzoate","","","","","","","","","","","","","","","","","","","","(2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)methyl 2-chlorobenzoate","","CC(=CC1C(C1(C)C)COC(=O)C2=CC=CC=C2Cl)C","MGRJCCWBLNKZOA-UHFFFAOYSA-N","233182",NA,"PDBC03856","31321","Present"
-"(2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)methyl 6-chloro-1,3-benzodioxole-5-carboxylate","","","","","","","","","","","","","","","","","","","","(2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)methyl 6-chloro-1,3-benzodioxole-5-carboxylate","","CC(=CC1C(C1(C)C)COC(=O)C2=CC3=C(C=C2Cl)OCO3)C","AXLBVVLIPLJARG-UHFFFAOYSA-N","233165",NA,"PDBC03857","31303","Present"
-"(2,2-Dimethyl-3H-furo[3,2-h]quinolin-5-yl) acetate","","","","","","","","","","","","","","","","","","","","(2,2-Dimethyl-3H-furo[3,2-h]quinolin-5-yl) acetate","","CC(=O)OC1=C2C=CC=NC2=C3C(=C1)CC(O3)(C)C","CZUJBHYKEBSVRK-UHFFFAOYSA-N","391577",NA,"PDBC03858","691032","Present"
-"(2,2-Dimethyl-4-purin-9-yl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl)methyl sulfamate","","","","","","","","","","","","","","","","","","","","9H-Purine, 9-(4-thio-.beta.-D-ribofuranosyl)-, 2',3'-O-i...","","CC1(OC2C(SC(C2O1)N3C=NC4=CN=CN=C43)COS(=O)(=O)N)C","WNGHOTIWTWOLFW-UHFFFAOYSA-N","155813374",NA,"PDBC03859","784614","Present"
-"(2,2-Dimethyl-5-((4-methylphenyl)sulfonyl)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methanol","","","","","","","","","","","","","","","","","","","","(2,2-Dimethyl-5-((4-methylphenyl)sulfonyl)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methanol","","CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2CO)OC(O3)(C)C","FZCROSZKQLEXNC-UHFFFAOYSA-N","391524",NA,"PDBC03860","690772","Present"
-"(2,2-Diphenylcyclopropyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(2,2-Diphenylcyclopropyl)(phenyl)methanone","","C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","GYTPBSLINYNTSG-UHFFFAOYSA-N","274403",NA,"PDBC03861","120439","Present"
-"(2,3,4,5,6-Pentachlorophenyl) 2-(benzylamino)acetate;hydrochloride","","","","","","","","","","","","","","","","","","","","(2,3,4,5,6-Pentachlorophenyl) 2-(benzylamino)acetate;hydrochloride","","C1=CC=C(C=C1)CNCC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl.Cl","PPIWXSSVIMCKRV-UHFFFAOYSA-N","24192993",NA,"PDBC03862","145673","Present"
-"(2,3,4,5,6-Pentachlorophenyl) 2-[[2-[2-(tert-butoxycarbonylamino)propanoylamino]-3-phenyl-propanoyl]amino]acetate","","","","","","","","","","","","","","","","","","","","(2,3,4,5,6-Pentachlorophenyl) 2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenylpropanoyl]amino]acetate","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)NC(=O)OC(C)(C)C","GOZCYBJCSFBIQE-UHFFFAOYSA-N","381730",NA,"PDBC03863","668590","Present"
-"(2,3,4,5,6-Pentachlorophenyl) 2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","(2,3,4,5,6-Pentachlorophenyl) 2-[[3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]propanoate","","CC(C)C(C(=O)NC(C)C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)NC(=O)CNC(=O)OC(C)(C)C","WJSFOLFLEVEQCD-UHFFFAOYSA-N","381815",NA,"PDBC03864","668888","Present"
-"(2,3,4,5,6-Pentachlorophenyl) 3-benzyloxy-2-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","(2,3,4,5,6-Pentachlorophenyl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-phenylmethoxypropanoate","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(COCC3=CC=CC=C3)C(=O)OC4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)Cl","ILRKFJFWOVWROO-UHFFFAOYSA-N","381810",NA,"PDBC03865","668884","Present"
-"(2,3,4,5,6-Pentamethylphenyl)methyl carbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","(2,3,4,5,6-Pentamethylphenyl)methyl carbamimidothioate;hydrochloride","","CC1=C(C(=C(C(=C1C)C)CSC(=N)N)C)C.Cl","VZTRCPJQAACHBH-UHFFFAOYSA-N","24195148",NA,"PDBC03866","176408","Present"
-"(2,3,4,5-Tetrahydroxy-6-oxohexyl) N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-5-oxododecyl)carbamate","","","","","","","","","","","","","","","","","","","","(2,3,4,5-Tetrahydroxy-6-oxohexyl) N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-5-oxododecyl)carbamate","","C(CCNC(=O)OCC(C(C(C(C=O)O)O)O)O)CC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","HAARTXNVCNJHHR-UHFFFAOYSA-N","381248",NA,"PDBC03867","667653","Present"
-"(2,3,4-trihydroxy-benzylidene-hydrazinocarbonylmethylsul...","","","","","","","","","","","","","","","","","","","","(2,3,4-trihydroxy-benzylidene-hydrazinocarbonylmethylsul...","","C1=CC(=C(C(=C1C=NNC(=O)CSCC(=O)NN=CC2=C(C(=C(C=C2)O)O)O)O)O)O","JZCWAIMSRVCZJM-FDWQPRGYSA-N","135436442",NA,"PDBC03868","724062","Present"
-"(2,3,8,9-Tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) acetate","","","","","","","","","","","","","","","","","","","","(2,3,8,9-Tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) acetate","","CC1C2=CC(=C(C=C2C3=C(N1C)C4=CC(=C(C=C4C=C3OC(=O)C)OC)OC)OC)OC","XJWYPZIESLCUIY-UHFFFAOYSA-N","5191582",NA,"PDBC03869","379965","Present"
-"(2,3-Dibenzyloxyphenyl)-(2-thioxothiazolidin-3-yl)methanone","","","","","","","","","","","","","","","","","","","","(2,3-Dibenzyloxyphenyl)-(2-thioxothiazolidin-3-yl)methanone","","C1CSC(=S)N1C(=O)C2=C(C(=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","LECYDRFNRQJMPW-UHFFFAOYSA-N","391978",NA,"PDBC03870","691700","Present"
-"(2,3-Dihydroxyphenyl)-[1-[(4-fluorophenyl)methyl]-4-hydroxyindol-3-yl]methanone","","","","","","","","","","","","","","","","","","","","(2,3-Dihydroxyphenyl)-[1-[(4-fluorophenyl)methyl]-4-hydroxyindol-3-yl]methanone","","C1=CC(=C(C(=C1)O)O)C(=O)C2=CN(C3=C2C(=CC=C3)O)CC4=CC=C(C=C4)F","XEMXFCLWYOSALC-UHFFFAOYSA-N","42624812",NA,"PDBC03871","746053","Present"
-"(2,3-Dimethyl-1,3-oxazolidin-2-yl)methanol","","","","","","","","","","","","","","","","","","","","(2,3-Dimethyl-1,3-oxazolidin-2-yl)methanol","","CC1(N(CCO1)C)CO","YHOHBJSXXACKHY-UHFFFAOYSA-N","388443",NA,"PDBC03872","683369","Present"
-"(2,3-Dimethyl-5,10-dioxobenzo[g]quinoxalin-7-yl) acetate","","","","","","","","","","","","","","","","","","","","(2,3-Dimethyl-5,10-dioxobenzo[g]quinoxalin-7-yl) acetate","","CC1=C(N=C2C(=N1)C(=O)C3=C(C2=O)C=C(C=C3)OC(=O)C)C","QRMRECWTGQHTST-UHFFFAOYSA-N","334272",NA,"PDBC03873","338697","Present"
-"(2,3-Diphenylcycloprop-2-en-1-yl)urea","","","","","","","","","","","","","","","","","","","","1-(2,3-Diphenylcycloprop-2-en-1-yl)urea","","C1=CC=C(C=C1)C2=C(C2NC(=O)N)C3=CC=CC=C3","UVBYXRGXXAQUFT-UHFFFAOYSA-N","272896",NA,"PDBC03874","117619","Present"
-"(2,4,6-Trichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","(2,4,6-Trichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)NC3=CC(=NC=C3)C(F)(F)F","SHZLSISLZMITNJ-UHFFFAOYSA-N","11648315",NA,"PDBC03875","731824","Present"
-"(2,4,6-Trichlorophenyl) N-(2-oxo-2-phenothiazin-10-ylethyl)-2-(N-phenylanilino)ethanimidate","","","","","","","","","","","","","","","","","","","","(2,4,6-Trichlorophenyl) N-(2-oxo-2-phenothiazin-10-ylethyl)-2-(N-phenylanilino)ethanimidate","","C1=CC=C(C=C1)N(CC(=NCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OC5=C(C=C(C=C5Cl)Cl)Cl)C6=CC=CC=C6","XFPBZCOBDIWFAT-UHFFFAOYSA-N","377191",NA,"PDBC03876","658418","Present"
-"(2,4,6-Trichlorophenyl) N-[2-(benzimidazol-1-yl)-2-oxoethyl]-2-(N-phenylanilino)ethanimidate","","","","","","","","","","","","","","","","","","","","(2,4,6-Trichlorophenyl) N-[2-(benzimidazol-1-yl)-2-oxoethyl]-2-(N-phenylanilino)ethanimidate","","C1=CC=C(C=C1)N(CC(=NCC(=O)N2C=NC3=CC=CC=C32)OC4=C(C=C(C=C4Cl)Cl)Cl)C5=CC=CC=C5","MIDPYBCJCHFBHB-UHFFFAOYSA-N","377190",NA,"PDBC03877","658417","Present"
-"(2,4,6-Trinitrophenyl) N-(2-oxo-2-piperazin-1-ylethyl)-2-(N-phenylanilino)ethanimidate","","","","","","","","","","","","","","","","","","","","(2,4,6-Trinitrophenyl) N-(2-oxo-2-piperazin-1-ylethyl)-2-(N-phenylanilino)ethanimidate","","C1CN(CCN1)C(=O)CN=C(CN(C2=CC=CC=C2)C3=CC=CC=C3)OC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","DIINZOMFOFSCAM-UHFFFAOYSA-N","377189",NA,"PDBC03878","658416","Present"
-"(2,4,7-Trimethyl-1H-indol-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","ALBB-007622","","CC1=C2C(=C(NC2=C(C=C1)C)C)CC(=O)O","FOYXJMABOXFXKS-UHFFFAOYSA-N","228480",NA,"PDBC03879","21434","Present"
-"(2,4-Dichloro-5-fluorophenyl)-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)methanone","","","","","","","","","","","","","","","","","","","","(2,4-Dichloro-5-fluorophenyl)-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)methanone","","C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)C3=CC(=C(C=C3Cl)Cl)F)C4=CC=CC=C4","HFQGDLMMEILXBS-UHFFFAOYSA-N","45027936",NA,"PDBC03880","740231","Present"
-"(2,4-Dichloro-5-methylphenoxy)acetic acid","","","","","","","","","","","","","","","","","","","","(2,4-Dichloro-5-methylphenoxy)acetic acid","","CC1=CC(=C(C=C1Cl)Cl)OCC(=O)O","JIPVYKRMJQZZLF-UHFFFAOYSA-N","232693",NA,"PDBC03881","30534","Present"
-"(2,4-Dichlorobenzyl)triphenylphosphonium Chloride","","","","","","","","","","","","","","","","","","","","2,4-dichlorobenzyltriphenylphosphonium chloride","","C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","FWBSWSPGFNAXPP-UHFFFAOYSA-M","196999",NA,"PDBC03882","110363","Present"
-"(2,4-Dichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","(2,4-Dichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Cl)Cl)NC3=CC(=NC=C3)C(F)(F)F","ZKSGADBLRQHPTK-UHFFFAOYSA-N","11546395",NA,"PDBC03883","731820","Present"
-"(2,4-Dichlorophenyl) N-(2-imidazol-1-yl-2-oxoethyl)-2-(N-phenylanilino)ethanimidate","","","","","","","","","","","","","","","","","","","","(2,4-Dichlorophenyl) N-(2-imidazol-1-yl-2-oxoethyl)-2-(N-phenylanilino)ethanimidate","","C1=CC=C(C=C1)N(CC(=NCC(=O)N2C=CN=C2)OC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4","PBNYSNQOWRPETI-UHFFFAOYSA-N","377192",NA,"PDBC03884","658419","Present"
-"(2,4-Dichlorophenyl)(3-oxo-1,3-dihydro-2-benzofuran-1-yl)methyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","(2,4-Dichlorophenyl)(3-oxo-1,3-dihydro-2-benzofuran-1-yl)methyl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OC(C2C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)Cl)Cl","SIEHHOUPNOKFPY-UHFFFAOYSA-N","376208",NA,"PDBC03885","656746","Present"
-"(2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol","","","","","","","","","","","","","","","","","","","","(2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol","","C1=CC(=C(C=C1Cl)Cl)CSC(=N)N.C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])O)Cl","VYAQZAAUDLMLEH-UHFFFAOYSA-N","234810",NA,"PDBC03886","35400","Present"
-"(2,4-Difluoro-benzylidene)-hydrazide","","","","","","","","","","","","","","","","","","","","(2,4-difluoro-benzylidene-hydrazinocarbonylmethylsulfany...","","C1=CC(=C(C=C1F)F)C=NNC(=O)CSCC(=O)NN=CC2=C(C=C(C=C2)F)F","SSHRGHTUXIMYAH-YLSUZJBISA-N","9572670",NA,"PDBC03887","724066","Present"
-"(2,4-Dimethoxyphenyl)(4-methoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","Maybridge1_005563","","COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)OC","VFTDVICZBGDMMB-UHFFFAOYSA-N","254174",NA,"PDBC03888","78015","Present"
-"(2,4-Dimethoxyphenyl)-phenothiazin-10-ylmethanone","","","","","","","","","","","","","","","","","","","","NSC780556","","COC1=CC(=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OC","RHZQEHJCZKAKBR-UHFFFAOYSA-N","3478672",NA,"PDBC03889","780556","Present"
-"(2,4-Dimethyl-1,5-benzoxazepin-3-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene","","","","","","","","","","","","","","","","","","","","(e)-(2,4-Dimethyl-1,5-benzoxazepin-3-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene","","CC1=C(C(=NC2=CC=CC=C2O1)C)N=NC3=CC4=C(C=C3)N=C(N4)C","XXAMRWRZTUSBGB-UHFFFAOYSA-N","396641",NA,"PDBC03890","703140","Present"
-"(2,4-Dinitrophenyl)methyl carbamimidothioate;chloride","","","","","","","","","","","","","","","","","","","","(2,4-Dinitrophenyl)methyl carbamimidothioate;chloride","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC(=N)N.[Cl-]","RUUXKEMQCXREMP-UHFFFAOYSA-M","24183838",NA,"PDBC03891","30637","Present"
-"(2,4-Dioxo-5-phenyl-1,3-oxazolidin-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(2,4-Dioxo-5-phenyl-1,3-oxazolidin-3-yl)acetic acid","","C1=CC=C(C=C1)C2C(=O)N(C(=O)O2)CC(=O)O","BOCMLQYREYMDBY-UHFFFAOYSA-N","272750",NA,"PDBC03892","117438","Present"
-"(2,5-Diethoxyphenyl)-triphenylphosphanium;iodide","","","","","","","","","","","","","","","","","","","","NSC625145","","CCOC1=CC(=C(C=C1)OCC)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]","PJEHWLASKGNWAY-UHFFFAOYSA-M","361827",NA,"PDBC03893","625145","Present"
-"(2,5-Dihydroxyphenyl)(2-methylphenyl)methanone","","","","","","","","","","","","","","","","","","","","(2,5-Dihydroxyphenyl)(2-methylphenyl)methanone","","CC1=CC=CC=C1C(=O)C2=C(C=CC(=C2)O)O","WKOYCFOVGWYSII-UHFFFAOYSA-N","358269",NA,"PDBC03894","618213","Present"
-"(2,5-Dihydroxyphenyl)-[2-(trichloromethyl)phenyl]methanone","","","","","","","","","","","","","","","","","","","","(2,5-Dihydroxyphenyl)-[2-(trichloromethyl)phenyl]methanone","","C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)O)O)C(Cl)(Cl)Cl","WGFISCNZKUCWKZ-UHFFFAOYSA-N","358270",NA,"PDBC03895","618214","Present"
-"(2,5-Dimethoxybenzyl)(triphenyl)phosphonium chloride","","","","","","","","","","","","","","","","","","","","NSC672194","","COC1=CC(=C(C=C1)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","OZUNQONRXLKOIP-UHFFFAOYSA-M","383751",NA,"PDBC03896","672194","Present"
-"(2,5-Dimethoxybenzylidene)malonic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[(2,5-dimethoxyphenyl)methylidene]propanedioate","","COC1=CC(=C(C=C1)OC)C=C(C(=O)OC)C(=O)OC","YAXXJBRULLGVDN-UHFFFAOYSA-N","358360",NA,"PDBC03897","618326","Present"
-"(2,5-Dimethyl-5-phenylhexan-2-yl)benzene","","","","","","","","","","","","","","","","","","","","LVJSKCGXEVPUCH-UHFFFAOYSA-N","","CC(C)(CCC(C)(C)C1=CC=CC=C1)C2=CC=CC=C2","LVJSKCGXEVPUCH-UHFFFAOYSA-N","316705",NA,"PDBC03898","245053","Present"
-"(2,5-Dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylenemalononitrile","","","","","","","","","","","","","","","","","","","","Propanedinitrile, 2-[(6-ethoxy-2,5-dimethyltetrahydro- 2...","","CCOC1C(CCC(O1)(C)C=C(C#N)C#N)C","IQUJVBXHKPNPIG-UHFFFAOYSA-N","58848",NA,"PDBC03899","663978","Present"
-"(2,5-Dimethylphenyl)-(4-methylphenyl)-phenylsulfanium;bromide","","","","","","","","","","","","","","","","","","","","NSC116692","","CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=C(C=CC(=C3)C)C.[Br-]","CQUALKXYTRAPPR-UHFFFAOYSA-M","24190919",NA,"PDBC03900","116692","Present"
-"(2,5-Dioxo-imidazolidin-4-ylmethoxy)-urea","","","","","","","","","","","","","","","","","","","","(2,5-Dioxo-imidazolidin-4-ylmethoxy)-urea","","C(C1C(=O)NC(=O)N1)ONC(=O)N","OSNXEHYTTNFVIU-UHFFFAOYSA-N","308721",NA,"PDBC03901","210739","Present"
-"(2,5-Dioxopyrrolidin-1-yl) 2-(5-benzoyl-2-thienyl)propanoate","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) 2-(5-benzoyl-2-thienyl)propanoate","","CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O","LQDBIMGBVIWJJD-UHFFFAOYSA-N","390774",NA,"PDBC03902","688539","Present"
-"(2,5-Dioxopyrrolidin-1-yl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate","","CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O","KMZIEIXAIDLKBX-UHFFFAOYSA-N","381797",NA,"PDBC03903","668875","Present"
-"(2,5-Dioxopyrrolidin-1-yl) 2-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) 2-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;hydrochloride","","C1CC(=O)N(C1=O)OC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)OCC3=CC=CC=C3)N.Cl","FXQGITKTHMRKTN-UHFFFAOYSA-N","381801",NA,"PDBC03904","668879","Present"
-"(2,5-Dioxopyrrolidin-1-yl) 3-[tert-butoxycarbonyl-[2-(5-isoquinolylsulfonylamino)ethyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) 3-[2-(isoquinolin-5-ylsulfonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate","","CC(C)(C)OC(=O)N(CCC(=O)ON1C(=O)CCC1=O)CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3","AUIFYQSJDCTCEG-UHFFFAOYSA-N","381918",NA,"PDBC03905","669170","Present"
-"(2,5-Dioxopyrrolidin-1-yl) 6-(benzyloxycarbonylamino)-2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]hexanoate","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O","QFXRBMMIZJNGDN-UHFFFAOYSA-N","381813",NA,"PDBC03906","668886","Present"
-"(2,5-Dioxopyrrolidin-1-yl) 6-(benzyloxycarbonylamino)-2-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]hexanoate","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)ON4C(=O)CCC4=O","YWQHQTHSSVXTEK-UHFFFAOYSA-N","381795",NA,"PDBC03907","668873","Present"
-"(2,5-Dioxopyrrolidin-1-yl) 6-(benzyloxycarbonylamino)-2-[[6-(benzyloxycarbonylamino)-2-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]hexanoyl]amino]hexanoate","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexan","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)OCC4=CC=CC=C4)C(=O)ON5C(=O)CCC5=O","PUVDAMYGDZKFNA-UHFFFAOYSA-N","381796",NA,"PDBC03908","668874","Present"
-"(2,5-Dioxopyrrolidin-1-yl) 6-amino-2-[[2-[[6-amino-2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) 6-amino-2-[[2-[[6-amino-2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCCN)C(=O)ON3C(=O)CCC3=O","BJOKTIDKDGBLBU-UHFFFAOYSA-N","381799",NA,"PDBC03909","668877","Present"
-"(2,5-Dioxopyrrolidin-1-yl) 6-amino-2-[[6-amino-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) 6-amino-2-[[6-amino-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride","","C1CC(=O)N(C1=O)OC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)N.Cl","KADUFSCZUWDVHG-UHFFFAOYSA-N","381793",NA,"PDBC03910","668872","Present"
-"(2,5-Dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate","","C#CCNC(=O)ON1C(=O)CCC1=O","MYMRMWYUCXLDAA-UHFFFAOYSA-N","366402",NA,"PDBC03911","634771","Present"
-"(2,5-Diphenylfuran-3,4-diyl)bis(phenylmethanol)","","","","","","","","","","","","","","","","","","","","(2,5-Diphenylfuran-3,4-diyl)bis(phenylmethanol)","","C1=CC=C(C=C1)C2=C(C(=C(O2)C3=CC=CC=C3)C(C4=CC=CC=C4)O)C(C5=CC=CC=C5)O","JLPBSURDZWABLC-UHFFFAOYSA-N","363019",NA,"PDBC03912","627563","Present"
-"(2,6-Dichlorophenyl)-N,N-di(1,3,4-thiadiazol-2-yl)methanediamine","","","","","","","","","","","","","","","","","","","","Methanediamine, 1-(2,6-dichlorophenyl)-N,N'- bis(1,3,4-t...","","C1=CC(=C(C(=C1)Cl)C(NC2=NN=CS2)NC3=NN=CS3)Cl","CZPVKGRQYZJYFU-UHFFFAOYSA-N","341772",NA,"PDBC03913","375086","Present"
-"(2,6-Diisopropylphenoxysulfonyl)carbamic acid 1-(trifluoromethyl)-2,2,2-trifluoroethyl ester","","","","","","","","","","","","","","","","","","","","(2,6-Diisopropylphenoxysulfonyl)carbamic acid 1-(trifluoromethyl)-2,2,2-trifluoroethyl ester","","CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)OC(C(F)(F)F)C(F)(F)F","JWOBWBDIQGAFHS-UHFFFAOYSA-N","396844",NA,"PDBC03914","703868","Present"
-"(2,6-dichlorophenyl)[?]","","","","","","","","","","","","","","","","","","","","(2,6-dichlorophenyl)[?]","","C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=C(C=CC=C5Cl)Cl","IYQCNTPKYKWELS-UHFFFAOYSA-N","388681",NA,"PDBC03915","683700","Present"
-"(2,6-difluorophenyl)[?]","","","","","","","","","","","","","","","","","","","","(2,6-difluorophenyl)[?]","","C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=C(C=CC=C5F)F","DTBHBQKQXXBWLM-UHFFFAOYSA-N","388318",NA,"PDBC03916","683050","Present"
-"(2-((((Cyclohexylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl cyclohexylcarbamate","","","","","","","","","","","","","","","","","","","","[2-(Cyclohexylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate","","CN1C(=C(C2=C1C3=CC=CC=C3C=C2)COC(=O)NC4CCCCC4)COC(=O)NC5CCCCC5","RAMABIKSYWPHEY-UHFFFAOYSA-N","388467",NA,"PDBC03917","683403","Present"
-"(2-((((Cyclohexylamino)carbonyl)oxy)methyl)-7-formyl-1-methyl-1H-benzo[g]indol-3-yl)methyl cyclohexylcarbamate","","","","","","","","","","","","","","","","","","","","[2-(Cyclohexylcarbamoyloxymethyl)-7-formyl-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate","","CN1C(=C(C2=C1C3=C(C=C2)C=C(C=C3)C=O)COC(=O)NC4CCCCC4)COC(=O)NC5CCCCC5","BBFYGFUBOXJWSE-UHFFFAOYSA-N","388464",NA,"PDBC03918","683400","Present"
-"(2-((((Isopropylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl isopropylcarbamate","","","","","","","","","","","","","","","","","","","","1H-Benz[g]indole-2,3-dimethanol, (1-methylethyl)carbamat...","","CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=CC=CC=C32)C)COC(=O)NC(C)C","LUGOGMLPVSFYFG-UHFFFAOYSA-N","388462",NA,"PDBC03919","683398","Present"
-"(2-((((Isopropylamino)carbonyl)oxy)methyl)-1-methyl-1H-thieno[2,3-g]indol-3-yl)methyl isopropylcarbamate","","","","","","","","","","","","","","","","","","","","[2-(Isopropylcarbamoyloxymethyl)-1-methyl-thieno[2,3-g]indol-3-yl]methyl N-isopropylcarbamate","","CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=C2C=CS3)C)COC(=O)NC(C)C","QLAOOVNXTROWDF-UHFFFAOYSA-N","395031",NA,"PDBC03920","699193","Present"
-"(2-((((Isopropylamino)carbonyl)oxy)methyl)-7-methoxy-1-methyl-1H-benzo[g]indol-3-yl)methyl isopropylcarbamate","","","","","","","","","","","","","","","","","","","","[2-(Isopropylcarbamoyloxymethyl)-7-methoxy-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate","","CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=C2C=CC(=C3)OC)C)COC(=O)NC(C)C","WDOHZUOMXMDRRW-UHFFFAOYSA-N","388466",NA,"PDBC03921","683402","Present"
-"(2-(((Tert-Butyl(dimethyl)silyl)oxy)methyl)-6-(2-(3-(((tert-butyl(dimethyl)silyl)oxy)methyl)-2-(hydroxy(oxido)amino)phenoxy)ethoxy)phenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","Tert-butyl-[[3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nitrophenoxy]ethoxy]-2-nitrophenyl]methoxy]-dimethylsilane","","CC(C)(C)[Si](C)(C)OCC1=C(C(=CC=C1)OCCOC2=CC=CC(=C2[N+](=O)[O-])CO[Si](C)(C)C(C)(C)C)[N+](=O)[O-]","RMDRVEAZXKDCET-UHFFFAOYSA-N","394575",NA,"PDBC03922","698144","Present"
-"(2-((1-Adamantylimino)methyl)-4-chlorophenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","(2-((1-Adamantylimino)methyl)-4-chlorophenyl)(hydroxy)azane oxide","","C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC(=C4)Cl)[N+](=O)[O-]","POCYBPOYRZDDHB-UHFFFAOYSA-N","379709",NA,"PDBC03923","664684","Present"
-"(2-((10-((2-Phenoxyethyl)thio)decyl)thio)ethoxy)benzene","","","","","","","","","","","","","","","","","","","","(2-((10-((2-Phenoxyethyl)thio)decyl)thio)ethoxy)benzene","","C1=CC=C(C=C1)OCCSCCCCCCCCCCSCCOC2=CC=CC=C2","CXNICWKWNSZIDO-UHFFFAOYSA-N","371306",NA,"PDBC03924","645380","Present"
-"(2-((1H-1,2,3-Benzotriazol-1-ylmethyl)amino)-5-chlorophenyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(2-((1H-1,2,3-Benzotriazol-1-ylmethyl)amino)-5-chlorophenyl)(phenyl)methanone","","C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NCN3C4=CC=CC=C4N=N3","CVYBQZPOOPSHHE-UHFFFAOYSA-N","374218",NA,"PDBC03925","651708","Present"
-"(2-((Dimethylamino)methyl)-4-(trifluoromethyl)phenyl)(diphenyl)methanol","","","","","","","","","","","","","","","","","","","","(2-((Dimethylamino)methyl)-4-(trifluoromethyl)phenyl)(diphenyl)methanol","","CN(C)CC1=C(C=CC(=C1)C(F)(F)F)C(C2=CC=CC=C2)(C3=CC=CC=C3)O","ZIJYGZOMZWSARO-UHFFFAOYSA-N","264984",NA,"PDBC03926","100708","Present"
-"(2-(1,3-Benzodioxol-5-yl)-2-(tributylstannyl)vinyl)(dimethyl)phenylsilane","","","","","","","","","","","","","","","","","","","","(2-(1,3-Benzodioxol-5-yl)-2-(tributylstannyl)vinyl)(dimethyl)phenylsilane","","CCCC[Sn](CCCC)(CCCC)C(=C[Si](C)(C)C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3","OSRAMUCQUMDQML-UHFFFAOYSA-N","5388266",NA,"PDBC03927","634285","Present"
-"(2-(1,3-Dithian-5-yl)phenyl)methanol","","","","","","","","","","","","","","","","","","","","(2-(1,3-Dithian-5-yl)phenyl)methanol","","C1C(CSCS1)C2=CC=CC=C2CO","LJONFHJZAMXFIF-UHFFFAOYSA-N","374812",NA,"PDBC03928","653149","Present"
-"(2-(1-(Hydroxy(oxido)amino)-2,3-dioxo-3-(4-toluidino)propyl)-3-methyl-5-oxocyclopentyl)acetic acid","","","","","","","","","","","","","","","","","","","","(3-Methyl-2-{3-[(4-methylphenyl)amino]-1-nitro-2,3-dioxopropyl}-5-oxocyclopentyl)acetic acid","","CC1CC(=O)C(C1C(C(=O)C(=O)NC2=CC=C(C=C2)C)[N+](=O)[O-])CC(=O)O","KZLHZZIAHWCXEC-UHFFFAOYSA-N","369446",NA,"PDBC03929","641216","Present"
-"(2-(2,2-Dibromo-1-methylcyclopropyl)ethyl)benzene","","","","","","","","","","","","","","","","","","","","(2-(2,2-Dibromo-1-methylcyclopropyl)ethyl)benzene","","CC1(CC1(Br)Br)CCC2=CC=CC=C2","KRFOLFHJNKCTMW-UHFFFAOYSA-N","386474",NA,"PDBC03930","678500","Present"
-"(2-(2-(2,5-Dimethoxyphenyl)ethyl)phenyl)acetic acid","","","","","","","","","","","","","","","","","","","","(2-(2-(2,5-Dimethoxyphenyl)ethyl)phenyl)acetic acid","","COC1=CC(=C(C=C1)OC)CCC2=CC=CC=C2CC(=O)O","GCCDPRKMKYYIDA-UHFFFAOYSA-N","375807",NA,"PDBC03931","655969","Present"
-"(2-(2-(2-Chlorophenyl)ethyl)phenyl)acetic acid","","","","","","","","","","","","","","","","","","","","(2-(2-(2-Chlorophenyl)ethyl)phenyl)acetic acid","","C1=CC=C(C(=C1)CCC2=CC=CC=C2Cl)CC(=O)O","PNXDEQUIQHDPGY-UHFFFAOYSA-N","375811",NA,"PDBC03932","655973","Present"
-"(2-(2-(3-Butenyl)-1,3-dioxolan-2-yl)-1-(phenylthio)ethyl)(diphenyl)phosphine oxide","","","","","","","","","","","","","","","","","","","","(2-(2-(3-Butenyl)-1,3-dioxolan-2-yl)-1-(phenylthio)ethyl)(diphenyl)phosphine oxide","","C=CCCC1(OCCO1)CC(P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=CC=C4","IXPNUUDYPSCIGN-UHFFFAOYSA-N","379168",NA,"PDBC03933","663580","Present"
-"(2-(2-(4-Methoxyphenyl)ethyl)phenyl)acetic acid","","","","","","","","","","","","","","","","","","","","(2-(2-(4-Methoxyphenyl)ethyl)phenyl)acetic acid","","COC1=CC=C(C=C1)CCC2=CC=CC=C2CC(=O)O","OHVRDRWZUYMFFH-UHFFFAOYSA-N","375810",NA,"PDBC03934","655972","Present"
-"(2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetyl)-(1-(carboxymethyl)-4H-1,4-triazol-1-ium-4-yl)-amide, sodium salt","","","","","","","","","","","","","","","","","","","","(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetyl)-(1-(car...","","CON=C(C1=CSC(=N1)N)C(=O)[N-][N+]2=CN(N=C2)CC(=O)O.[Na+]","HOULNGGMJPXQLF-ZTXYIFKNSA-N","54611324",NA,"PDBC03935","660852","Present"
-"(2-(2-Cyanoethyl)-5-oxido-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","[2-(2-Cyanoethyl)-5,8-dioxo-7-[(2-thiophen-2-ylacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate","","CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)S(=O)C1)CCC#N","KXQOUFACXSICMS-UHFFFAOYSA-N","374144",NA,"PDBC03936","651601","Present"
-"(2-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-3b,6,6,9a-tetramethyltetradecahydrophenanthro[2,1-b]furan-11a(2H)-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","[2-(2-Hydroxy-5-oxo-2H-furan-3-yl)-3b,6,6,9a-tetramethyl-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e][1]benzofuran-11a-yl]methyl acetate","","CC(=O)OCC12CCC3C4(CCCC(C4CCC3(C1CC(O2)C5=CC(=O)OC5O)C)(C)C)C","VSNRQJCSNGQROZ-UHFFFAOYSA-N","378636",NA,"PDBC03937","661429","Present"
-"(2-(3-(2,5-Dimethylanilino)-1-(hydroxy(oxido)amino)-2,3-dioxopropyl)-3-methyl-5-oxocyclopentyl)acetic acid","","","","","","","","","","","","","","","","","","","","2-[2-[3-(2,5-Dimethylanilino)-1-nitro-2,3-dioxo-propyl]-3-methyl-5-oxo-cyclopentyl]acetic acid","","CC1CC(=O)C(C1C(C(=O)C(=O)NC2=C(C=CC(=C2)C)C)[N+](=O)[O-])CC(=O)O","UYRYFMRTULQKHF-UHFFFAOYSA-N","369448",NA,"PDBC03938","641218","Present"
-"(2-(3-(2-Cyano-6-(hydroxy(oxido)amino)anilino)-1-(hydroxy(oxido)amino)-2,3-dioxopropyl)-3-methyl-5-oxocyclopentyl)acetic acid","","","","","","","","","","","","","","","","","","","","(2-{3-[(2-Cyano-6-nitrophenyl)amino]-1-nitro-2,3-dioxopropyl}-3-methyl-5-oxocyclopentyl)acetic acid","","CC1CC(=O)C(C1C(C(=O)C(=O)NC2=C(C=CC=C2[N+](=O)[O-])C#N)[N+](=O)[O-])CC(=O)O","KEHVWXQDJICDJV-UHFFFAOYSA-N","369445",NA,"PDBC03939","641215","Present"
-"(2-(3-Anilino-3-oxopropanoyl)hydrazino)(5-((4-bromophenyl)diazenyl)-2-hydroxyphenyl)methylphosphonous acid","","","","","","","","","","","","","","","","","","","","[[2-(3-Anilino-3-oxopropanoyl)hydrazinyl]-[5-[(4-bromophenyl)diazenyl]-2-hydroxyphenyl]methyl]phosphonous acid","","C1=CC=C(C=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)P(O)O","QHDLUUUQPFUOKO-UHFFFAOYSA-N","377948",NA,"PDBC03940","659616","Present"
-"(2-(4-Fluorophenyl)-3-methoxy-4-oxo-4H-chromen-8-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(2-(4-Fluorophenyl)-3-methoxy-4-oxo-4H-chromen-8-yl)acetic acid","","COC1=C(OC2=C(C=CC=C2C1=O)CC(=O)O)C3=CC=C(C=C3)F","JDGYVGBEQWWRJS-UHFFFAOYSA-N","388154",NA,"PDBC03941","682718","Present"
-"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxy-1-naphthyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxy-1-naphthyl)acetonitrile","","CC1=CC(=O)NC(=N1)NNC(C#N)C2=C(C=CC3=CC=CC=C32)O","BITKFFANZCHSPD-UHFFFAOYSA-N","135409031",NA,"PDBC03942","653840","Present"
-"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxyphenyl)acetonitrile","","CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=CC=C2O","KVRRKFIUABQPRC-UHFFFAOYSA-N","135409022",NA,"PDBC03943","653831","Present"
-"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(3,4,5-trimethoxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(3,4,5-trimethoxyphenyl)acetonitrile","","CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC(=C(C(=C2)OC)OC)OC","WGFRPDJDLIBSHF-UHFFFAOYSA-N","135409030",NA,"PDBC03944","653839","Present"
-"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(3-(hydroxy(oxido)amino)phenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","[2-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)hydrazinyl](3-nitrophenyl)acetonitrile","","CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC(=CC=C2)[N+](=O)[O-]","CGYXMHLQQIDFEK-UHFFFAOYSA-N","135409026",NA,"PDBC03945","653835","Present"
-"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(3-hydroxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(3-hydroxyphenyl)acetonitrile","","CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC(=CC=C2)O","XDIJIOJROJNLKP-UHFFFAOYSA-N","135409024",NA,"PDBC03946","653833","Present"
-"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(4-(hydroxy(oxido)amino)phenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","[2-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)hydrazinyl](4-nitrophenyl)acetonitrile","","CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=C(C=C2)[N+](=O)[O-]","PTBDVVMAPRZZJE-UHFFFAOYSA-N","135409025",NA,"PDBC03947","653834","Present"
-"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(4-hydroxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(4-hydroxyphenyl)acetonitrile","","CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=C(C=C2)O","NRPOJFIKAJOWST-UHFFFAOYSA-N","135409023",NA,"PDBC03948","653832","Present"
-"(2-(Benzyloxy)-4-methoxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","GHQVMARKZDBYKZ-UHFFFAOYSA-N","","COC1=CC(=C(C=C1)CC#N)OCC2=CC=CC=C2","GHQVMARKZDBYKZ-UHFFFAOYSA-N","319408",NA,"PDBC03949","263601","Present"
-"(2-(Benzyloxy)ethyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","(2-(Benzyloxy)ethyl)triphenylphosphonium bromide","","C1=CC=C(C=C1)COCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","BICVQFBELAVBIE-UHFFFAOYSA-M","24189130",NA,"PDBC03950","84064","Present"
-"(2-(Diisopropylphosphorothioyl)-1-methylene-2-propenyl)(diisopropyl)phosphine sulfide","","","","","","","","","","","","","","","","","","","","(2-Diisopropylphosphinothioyl-1-methylene-allyl)-diisopropyl-thioxo-$l^{5}-phosphane","","CC(C)P(=S)(C(C)C)C(=C)C(=C)P(=S)(C(C)C)C(C)C","NWVWDJNCRKQARJ-UHFFFAOYSA-N","364690",NA,"PDBC03951","631342","Present"
-"(2-(Diphenylphosphorothioyl)-1-methylene-2-propenyl)(diphenyl)phosphine sulfide","","","","","","","","","","","","","","","","","","","","(2-Diphenylphosphinothioyl-1-methylene-allyl)-diphenyl-thioxo-$l^{5}-phosphane","","C=C(C(=C)P(=S)(C1=CC=CC=C1)C2=CC=CC=C2)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4","RYISNEUHVKGGBY-UHFFFAOYSA-N","364688",NA,"PDBC03952","631340","Present"
-"(2-Amino-3,5-dimethylphenyl)methanol","","","","","","","","","","","","","","","","","","","","NSC694099///Benzenemethanol, 2-amino-3,5-dimethyl-","","CC1=CC(=C(C(=C1)CO)N)C","CRPRKAVPVAZRMT-UHFFFAOYSA-N","392916",NA,"PDBC03953","694099///694100","Present"
-"(2-Amino-4,6-dihydroxy-pyrimidin-5-yl)-phenyl-iodonium","","","","","","","","","","","","","","","","","","","","(2-Amino-4,6-dihydroxy-pyrimidin-5-yl)-phenyl-iodonium","","C1=CC=C(C=C1)[I+]C2=C(N=C(NC2=O)N)[O-]","JIRDYBPETPRBGW-UHFFFAOYSA-N","385066",NA,"PDBC03954","675993","Present"
-"(2-Amino-4-nitrophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone","","","","","","","","","","","","","","","","","","","","(2-Amino-4-nitro-phenyl)-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone","","C1CC(N(C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)CO","NQDOCLHEZQMEOZ-VIFPVBQESA-N","392407",NA,"PDBC03955","692771","Present"
-"(2-Aminoethyl)dithiocarbamic acid","","","","","","","","","","","","","","","","","","","","925876PZ8X","","C(CNC(=S)S)N","NJGRNRAXMBFJJY-UHFFFAOYSA-N","3246302",NA,"PDBC03956","83224","Present"
-"(2-Aminoethyl)naphthylamine, chloride","","","","","","","","","","","","","","","","","","","","nci-c03281","","C1=CC=C2C(=C1)C=CC=C2NCCN.Cl","WZRRZVUZWWMSKH-UHFFFAOYSA-N","12402726",NA,"PDBC03957","9849","Present"
-"(2-Aminoethyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","ciliatine","","C(CP(=O)(O)O)N","QQVDJLLNRSOCEL-UHFFFAOYSA-N","339",NA,"PDBC03958","133837","Present"
-"(2-Anilino-2-oxoethyl) N,N-dimethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","Enamine_000057","","CN(C)C(=S)SCC(=O)NC1=CC=CC=C1","RGIZDISFFZUCIM-UHFFFAOYSA-N","313663",NA,"PDBC03959","229072","Present"
-"(2-Anilino-6-hydroxy-9H-purin-9-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(2-Anilino-6-hydroxy-purin-9-yl)acetic acid","","C1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3CC(=O)O","BCRLJJVCUZUELT-UHFFFAOYSA-N","135489859",NA,"PDBC03960","685816","Present"
-"(2-Benzamido-1,2-diphenylethyl)carbamic acid","","","","","","","","","","","","","","","","","","","","(2-Benzamido-1,2-diphenylethyl)carbamic acid","","C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NC(=O)O)NC(=O)C3=CC=CC=C3","JGBLEKJGTAQZHB-UHFFFAOYSA-N","359332",NA,"PDBC03961","620118","Present"
-"(2-Benzamido-3-phenylpropyl) 2-benzamido-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","ASPERPHENAMATE","","C1=CC=C(C=C1)CC(COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4","CVULDJMCSSACEO-UHFFFAOYSA-N","328238",NA,"PDBC03962","306231","Present"
-"(2-Benzamidophenyl) benzoate","","","","","","","","","","","","","","","","","","","","(2-Benzamidophenyl) benzoate","","C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(=O)C3=CC=CC=C3","QGOZYNURVSRBIG-UHFFFAOYSA-N","226518",NA,"PDBC03963","17065","Present"
-"(2-Benzilamidoethyl)diethylmethylammonium iodide","","","","","","","","","","","","","","","","","","","","LS-16723","","CC[N+](C)(CC)CCNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[I-]","XYVZCDXGAKQSIE-UHFFFAOYSA-N","59252",NA,"PDBC03964","659154","Present"
-"(2-Benzimidazolylthio)-acetic acid","","","","","","","","","","","","","","","","","","","","Maybridge1_003613","","C1=CC=C2C(=C1)NC(=N2)SCC(=O)O","UYNVBLJQBCTRKV-UHFFFAOYSA-N","137805",NA,"PDBC03965","14186","Present"
-"(2-Benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride","","","","","","","","","","","","","","","","","","","","(2-Benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride","","CC1=CC(=C(C=C1)C)C(=N)C2=CC=CC=C2CC3=CC=CC=C3.Cl","RMNPDFCSFVPFKZ-UHFFFAOYSA-N","5351937",NA,"PDBC03966","99504","Present"
-"(2-Benzylphenyl)-naphthalen-2-ylmethanimine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC99515","","C1=CC=C(C=C1)CC2=CC=CC=C2C(=N)C3=CC4=CC=CC=C4C=C3.Cl","PIJBWBFPYNJJPH-UHFFFAOYSA-N","24189998",NA,"PDBC03967","99515","Present"
-"(2-Bromoethyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","Phosphonium, (2-bromoethyl)triphenyl-, bromide","","C1=CC=C(C=C1)[P+](CCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","ZHLVWYZWQPNQDQ-UHFFFAOYSA-M","22210408",NA,"PDBC03968","264077","Present"
-"(2-Butyl-1-chloro-5,8-dioxaspiro[3.4]oct-2-en-3-yl)-morpholino-methanone","","","","","","","","","","","","","","","","","","","","(2-Butyl-1-chloro-5,8-dioxaspiro[3.4]oct-2-en-3-yl)-morpholino-methanone","","CCCCC1=C(C2(C1Cl)OCCO2)C(=O)N3CCOCC3","QMYSHIMJYRDCNI-UHFFFAOYSA-N","394532",NA,"PDBC03969","698077","Present"
-"(2-Carboxyethyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","NSC84145","","C1=CC=C(C=C1)[P+](CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","BVKRDNIULHRLCO-UHFFFAOYSA-N","2733850",NA,"PDBC03970","84145","Present"
-"(2-Chloro-2,4-dimethylpentan-3-yl)-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane","","","","","","","","","","","","","","","","","","","","(2-Chloro-2,4-dimethylpentan-3-yl)-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane","","CC1=CC=C(C=C1)S(=NC2=CC=CC=C2)(=O)C(C(C)C)C(C)(C)Cl","DVFUUDXSWUKQSE-UHFFFAOYSA-N","400257",NA,"PDBC03971","711790","Present"
-"(2-Chloro-3,4-dihydro-1(2H)-quinolinyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2-Chloro-3,4-dihydro-1(2H)-quinolinyl)acetonitrile","","C1CC2=CC=CC=C2N(C1Cl)CC#N","DZCXKHSUCHTENQ-UHFFFAOYSA-N","377654",NA,"PDBC03972","659235","Present"
-"(2-Chloro-4-morpholin-4-ylphenyl)methanol","","","","","","","","","","","","","","","","","","","","NSC766401","","C1COCCN1C2=CC(=C(C=C2)CO)Cl","IMQDOABNJOLRNN-UHFFFAOYSA-N","108293638",NA,"PDBC03973","766401","Present"
-"(2-Chloro-4-pyrrolidin-1-ylphenyl)methanol","","","","","","","","","","","","","","","","","","","","NSC766399","","C1CCN(C1)C2=CC(=C(C=C2)CO)Cl","AHXQKYRYXIRPON-UHFFFAOYSA-N","108293637",NA,"PDBC03974","766399","Present"
-"(2-Chloro-6-methyl-phenyl)thiourea","","","","","","","","","","","","","","","","","","","","(2-Chloro-6-methyl-phenyl)thiourea","","CC1=C(C(=CC=C1)Cl)NC(=S)N","BXWQWESKSRZQAY-UHFFFAOYSA-N","3004198",NA,"PDBC03975","636086","Present"
-"(2-Chloro-phenyl)-{6-[5-(4-nitro-phenyl)-furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-ylmethyl}-amine","","","","","","","","","","","","","","","","","","","","2-Chloro-N-[[6-[5-(4-nitrophenyl)furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline","","C1C(=NN2C(=NN=C2S1)CNC3=CC=CC=C3Cl)C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]","QNJGUZXZTHGGHM-UHFFFAOYSA-N","367882",NA,"PDBC03976","638048","Present"
-"(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2Cl)NC3=CC(=NC=C3)C(F)(F)F","OISCLGVVNMPCQX-UHFFFAOYSA-N","11292294",NA,"PDBC03977","731822","Present"
-"(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate","","C1=CC=C(C(=C1)OC(=O)C2=C(N=CC=C2)NC3=CC(=NC=C3)C(F)(F)F)Cl","MIMFHVQNXKUGAJ-UHFFFAOYSA-N","11639785",NA,"PDBC03978","733467","Present"
-"(2-Cyano-5-nitro-phenyl)thiourea","","","","","","","","","","","","","","","","","","","","(2-Cyano-5-nitro-phenyl)thiourea","","C1=CC(=C(C=C1[N+](=O)[O-])NC(=S)N)C#N","FOCIVBZNKUJNFQ-UHFFFAOYSA-N","3004194",NA,"PDBC03979","635821","Present"
-"(2-Cyclopropyl-4-hydroxy-4-oxo-butyl)-trimethyl-ammonium","","","","","","","","","","","","","","","","","","","","3-Cyclopropyl-4-(trimethylammonio)butanoate","","C[N+](C)(C)CC(CC(=O)[O-])C1CC1","OPAJNXGNDLFPLS-UHFFFAOYSA-N","370729",NA,"PDBC03980","644249","Present"
-"(2-Diethoxyphosphoryl-2,2-difluoro-ethyl)cyclohexane","","","","","","","","","","","","","","","","","","","","(2-Diethoxyphosphoryl-2,2-difluoro-ethyl)cyclohexane","","CCOP(=O)(C(CC1CCCCC1)(F)F)OCC","NMDAZSHVIUFTIR-UHFFFAOYSA-N","379141",NA,"PDBC03981","663420","Present"
-"(2-Diethoxyphosphoryl-4-hydroxy-pyrrolidin-1-yl) 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","(2-Diethoxyphosphoryl-4-hydroxy-pyrrolidin-1-yl) 2,2-dimethylpropanoate","","CCOP(=O)(C1CC(CN1OC(=O)C(C)(C)C)O)OCC","XIOIUFNCQUYPHK-UHFFFAOYSA-N","390828",NA,"PDBC03982","688886","Present"
-"(2-Dimethylarsanylsulfanylpyrimidin-4-yl)sulfanyl-dimethylarsane","","","","","","","","","","","","","","","","","","","","dimethylarsinothious acid, 2,4-pyrimidinediyl ester","","C[As](C)SC1=NC(=NC=C1)S[As](C)C","MDWJHUUGASJAGQ-UHFFFAOYSA-N","294741",NA,"PDBC03983","163664","Present"
-"(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2$l^{5}-diazaphosphol-5-yl)cyanamide; propan-1-amine","","","","","","","","","","","","","","","","","","","","(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2$l^{5}-diazaphosphol-5-yl)cyanamide; propan-1-amine","","CCCN.CCOP1(=O)C(N(C(=N1)NC#N)C)(C)C","WFZKTFSPWDBKCQ-UHFFFAOYSA-N","383541",NA,"PDBC03984","671959","Present"
-"(2-Ethoxy-5-hydroxyphenyl)-triphenylphosphanium;iodide","","","","","","","","","","","","","","","","","","","","Phosphonium, (2-ethoxy-5-hydroxyphenyl)triphenyl-, iodide","","CCOC1=C(C=C(C=C1)O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]","JDJJFCHRCBRYTH-UHFFFAOYSA-N","361829",NA,"PDBC03985","625146","Present"
-"(2-Ethoxyethyl)triphenylphosphoniuM broMide","","","","","","","","","","","","","","","","","","","","SXPXVPGJBRZVLW-UHFFFAOYSA-M","","CCOCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","SXPXVPGJBRZVLW-UHFFFAOYSA-M","24189128",NA,"PDBC03986","84061","Present"
-"(2-Ethyl-1-(1-naphthylmethyl)-1H-imidazol-5-yl)methanol","","","","","","","","","","","","","","","","","","","","(2-Ethyl-1-(1-naphthylmethyl)-1H-imidazol-5-yl)methanol","","CCC1=NC=C(N1CC2=CC=CC3=CC=CC=C32)CO","IECRHZFXYLMNLU-UHFFFAOYSA-N","320831",NA,"PDBC03987","269903","Present"
-"(2-Fluoro-2,2-dinitro-ethyl) (3-fluoro-3,3-dinitro-propyl) carbonate","","","","","","","","","","","","","","","","","","","","(2-Fluoro-2,2-dinitro-ethyl) (3-fluoro-3,3-dinitro-propyl) carbonate","","C(COC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F","ZPHHHIDBVROPBD-UHFFFAOYSA-N","388364",NA,"PDBC03988","683259","Present"
-"(2-Fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone","","","","","","","","","","","","","","","","","","","","NSC780549","","COC1=CC(=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)F","LZZBUUKFPXPDKV-UHFFFAOYSA-N","127053173",NA,"PDBC03989","780549","Present"
-"(2-Hydroxy-2-phenylacetoxy)trimethyltin","","","","","","","","","","","","","","","","","","","","(2-HYDROXY-2-PHENYLACETOXY)TRIMETHYLTIN","","C[Sn](C)(C)OC(=O)C(C1=CC=CC=C1)O","LVPYOLPVOJTSIN-UHFFFAOYSA-M","16683226",NA,"PDBC03990","645568","Present"
-"(2-Hydroxy-3,5-diiodo-benzylidene)-hydrazide","","","","","","","","","","","","","","","","","","","","(2-hydroxy-3,5-diiodo-benzylidene-hydrazinocarbonylmethy...","","C1=C(C=C(C(=C1C=NNC(=O)CSCC(=O)NN=CC2=C(C(=CC(=C2)I)I)O)O)I)I","LJWPNIYQBSOJIN-QVKIOAGYSA-N","135436448",NA,"PDBC03991","724291","Present"
-"(2-Hydroxycyclohexyl)-(2-methylphenyl)methanone","","","","","","","","","","","","","","","","","","","","(2-Hydroxycyclohexyl)-(2-methylphenyl)methanone","","CC1=CC=CC=C1C(=O)C2CCCCC2O","YKTWQAXNOMZIKM-UHFFFAOYSA-N","358364",NA,"PDBC03992","618330","Present"
-"(2-Hydroxycyclohexyl)methyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","(2-Hydroxycyclohexyl)methyl-trimethylazanium;iodide","","C[N+](C)(C)CC1CCCCC1O.[I-]","IHIIBFKROGLZOU-UHFFFAOYSA-M","368215",NA,"PDBC03993","638642","Present"
-"(2-Hydroxyphenyl)-(2-methylphenyl)methanone","","","","","","","","","","","","","","","","","","","","2-Hydroxy-2'-methylbenzophenone","","CC1=CC=CC=C1C(=O)C2=CC=CC=C2O","GWAHXRKRPHOSCV-UHFFFAOYSA-N","358262",NA,"PDBC03994","618205","Present"
-"(2-Hydroxyphenyl)-N-(4-oxo-2-phenyl(3-hydroquinazolin-3-yl))carboxamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CC=C4O","LVQZZDUBHRSFMG-UHFFFAOYSA-N","376424",NA,"PDBC03995","657338","Present"
-"(2-Imino-6-thioxo-3H-purin-7-yl)-(4-nitrophenyl)mercury","","","","","","","","","","","","","","","","","","","","(2-Imino-6-thioxo-3H-purin-7-yl)-(4-nitrophenyl)mercury","","","","",NA,"PDBC03996","631945","Present"
-"(2-Methoxy-3-nonoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate","","","","","","","","","","","","","","","","","","","","(2-Methoxy-3-nonoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate","","CCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC","LTCDSUZIFHLDRH-UHFFFAOYSA-N","5027624",NA,"PDBC03997","343648","Present"
-"(2-Methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","(2-Methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate","","COC1=CC=C(C=C1)C=CC(=O)OC2=CC=CC=C2OC","ISUOKEPGSJEYPJ-FMIVXFBMSA-N","5928358",NA,"PDBC03998","700136","Present"
-"(2-Methoxyphenyl)(phenyl)methanamine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC640189","","COC1=CC=CC=C1C(C2=CC=CC=C2)N.Cl","GQEJMTFEMHYJCO-UHFFFAOYSA-N","368853",NA,"PDBC03999","640189","Present"
-"(2-Methoxyphenyl)-[(1R,2R,4S,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol","","","","","","","","","","","","","","","","","","","","(2-Methoxyphenyl)-[(1R,2R,4S,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol","","CC1(C2CCC1(C3C2CC(O3)C(C4=CC=CC=C4OC)O)C)C","MKHMRHOSPUSUGL-XUYHOCEUSA-N","6712783",NA,"PDBC04000","711789","Present"
-"(2-Methoxyphenyl)-naphthalen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","(2-Methoxyphenyl)(naphthalen-2-yl)methanone","","COC1=CC=CC=C1C(=O)C2=CC3=CC=CC=C3C=C2","DPIATUPMTSNEKU-UHFFFAOYSA-N","246624",NA,"PDBC04001","59937","Present"
-"(2-Methoxypiperidin-1-yl)-phenylmethanone","","","","","","","","","","","","","","","","","","","","1-Benzoyl-2-methoxypiperidine","","COC1CCCCN1C(=O)C2=CC=CC=C2","HTKAMCXNPVWFAZ-UHFFFAOYSA-N","359208",NA,"PDBC04002","619917","Present"
-"(2-Methoxyquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone","","","","","","","","","","","","","","","","","","","","(2-Methoxyquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone","","COC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C4=CC=CC=C4","KUMVNHAVDWQQBN-UHFFFAOYSA-N","258251",NA,"PDBC04003","87034","Present"
-"(2-Methyl-1-nitropropan-2-yl) acetate","","","","","","","","","","","","","","","","","","","","Nitro-t-butyl-acetate","","CC(=O)OC(C)(C)C[N+](=O)[O-]","XSTGTOOLWVOPGJ-UHFFFAOYSA-N","182621",NA,"PDBC04004","620110","Present"
-"(2-Methyl-1h-indol-3-yl)methanol","","","","","","","","","","","","","","","","","","","","AM806323","","CC1=C(C2=CC=CC=C2N1)CO","ASXDLUBNSFVSAU-UHFFFAOYSA-N","249349",NA,"PDBC04005","67603","Present"
-"(2-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)hydrazine","","","","","","","","","","","","","","","","","","","","(2-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)hydrazine","","CC1CC(=NC2=CC=CC=C2N1)NN","ICRBVXHLGGNIOM-UHFFFAOYSA-N","397538",NA,"PDBC04006","705846","Present"
-"(2-Methylbenzyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","(o-Methylbenzyl)triphenylphosphonium bromide","","CC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","XDCQNYYELACHOT-UHFFFAOYSA-M","197738",NA,"PDBC04007","77140","Present"
-"(2-Methylquinolin-8-yl) N-[3-(trifluoromethyl)phenyl]carbamate","","","","","","","","","","","","","","","","","","","","(2-Methylquinolin-8-yl) N-[3-(trifluoromethyl)phenyl]carbamate","","CC1=NC2=C(C=CC=C2OC(=O)NC3=CC=CC(=C3)C(F)(F)F)C=C1","LCUKLWDEEVOKLV-UHFFFAOYSA-N","342421",NA,"PDBC04008","379368","Present"
-"(2-Methylspiro[1,2-oxazolidine-3,2'-adamantane]-5-yl)methanol","","","","","","","","","","","","","","","","","","","","(2-Methylspiro[1,2-oxazolidine-3,2'-adamantane]-5-yl)methanol","","CN1C2(CC(O1)CO)C3CC4CC(C3)CC2C4","CVDJSKPBNLQFFH-UHFFFAOYSA-N","374459",NA,"PDBC04009","652169","Present"
-"(2-Nitrocinnamylidene)malononitrile","","","","","","","","","","","","","","","","","","","","LS-88977","","C1=CC=C(C(=C1)C=CC=C(C#N)C#N)[N+](=O)[O-]","KWNBVBVINZVSFN-ZZXKWVIFSA-N","1550266",NA,"PDBC04010","659166","Present"
-"(2-Nitrophenyl) 2,4,6-trimethylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","2-Nitrophenyl 2,4,6-trimethylbenzenesulfonate","","CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-])C","QCCDASOPVJFNAY-UHFFFAOYSA-N","230706",NA,"PDBC04011","25846","Present"
-"(2-Nitrophenyl)(p-tolyl)sulfane","","","","","","","","","","","","","","","","","","","","2NO2Ph-S-4MePh","","CC1=CC=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-]","UBBFBJSKBNASAJ-UHFFFAOYSA-N","361290",NA,"PDBC04012","624232","Present"
-"(2-Nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate","","","","","","","","","","","","","","","","","","","","(2-Nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate","","C1CC2C#CC=CC#CC3C4(C1)C2(O4)C5=CC=CC=C5N3C(=O)OCC6=CC=CC=C6[N+](=O)[O-]","WHARZCKUDMDSND-IDLMTYENSA-N","5469103",NA,"PDBC04013","683252","Present"
-"(2-Nitrophenyl)sulfonyl N,N-diethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","ACT09032","","CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]","GFRUXBKTCIYXAD-UHFFFAOYSA-N","394914",NA,"PDBC04014","699007","Present"
-"(2-Oxido-1,2,5-oxadiazole-3,4-diyl)bis(1-benzothien-3-ylmethanone)","","","","","","","","","","","","","","","","","","","","3,4-di(benzo[b]thiophene-3-carbonyl)-1,2,5-oxadiazole 2-...","","C1=CC=C2C(=C1)C(=CS2)C(=O)C3=NO[N+](=C3C(=O)C4=CSC5=CC=CC=C54)[O-]","VGVCAZDGILAXDP-UHFFFAOYSA-N","227331",NA,"PDBC04015","18877","Present"
-"(2-Oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-chlorophenyl)methanone]","","","","","","","","","","","","","","","","","","","","furazan, bis(p-chlorobenzoyl)-, monooxide (8ci)","","C1=CC(=CC=C1C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)Cl)[O-])Cl","BZZJOJCPQADALQ-UHFFFAOYSA-N","286557",NA,"PDBC04016","145016","Present"
-"(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methanol","","","","","","","","","","","","","","","","","","","","3-(Hydroxymethyl)-4-phenyl-1,2,5-oxadiazole 2-oxide","","C1=CC=C(C=C1)C2=NO[N+](=C2CO)[O-]","HSQJNPRERPSLPB-UHFFFAOYSA-N","390735",NA,"PDBC04017","688494","Present"
-"(2-Oxo-1H-pyridin-3-yl) 3,5-dinitrobenzoate","","","","","","","","","","","","","","","","","","","","(2-Oxo-1H-pyridin-3-yl) 3,5-dinitrobenzoate","","C1=CNC(=O)C(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]","NTSJFFXAGDUGRW-UHFFFAOYSA-N","322878",NA,"PDBC04018","281254","Present"
-"(2-Oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;chloride","","","","","","","","","","","","","","","","","","","","NSC115684","","C1=CC=C(C=C1)[P+](CC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]","JPBXNTVCCVWHCZ-UHFFFAOYSA-M","24190843",NA,"PDBC04019","115684","Present"
-"(2-Oxoazepan-3-yl) thiocyanate","","","","","","","","","","","","","","","","","","","","2-Oxoazepan-3-yl thiocyanate","","C1CCNC(=O)C(C1)SC#N","INEACMLUVLIPMG-UHFFFAOYSA-N","274315",NA,"PDBC04020","120308","Present"
-"(2-Oxochromen-7-yl) dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-2-one, 7-(phosphonooxy)-","","C1=CC(=CC2=C1C=CC(=O)O2)OP(=O)(O)O","CVOMRWJNUPHWRW-UHFFFAOYSA-N","378371",NA,"PDBC04021","660668","Present"
-"(2-Phenoxyethyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","NSC84063","","C1=CC=C(C=C1)OCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","QFIVZQJPMLZRIS-UHFFFAOYSA-M","2778279",NA,"PDBC04022","84063","Present"
-"(2-Phenyl-1-benzofuran-3-yl) acetate","","","","","","","","","","","","","","","","","","","","2-Phenyl-1-benzofuran-3-yl acetate","","CC(=O)OC1=C(OC2=CC=CC=C21)C3=CC=CC=C3","PHCKIGCOCCRWDD-UHFFFAOYSA-N","387200",NA,"PDBC04023","680742","Present"
-"(2-Phenyl-1-benzothiophen-3-yl) acetate","","","","","","","","","","","","","","","","","","","","Maybridge3_002848","","CC(=O)OC1=C(SC2=CC=CC=C21)C3=CC=CC=C3","FEMWRJGQNQNJHP-UHFFFAOYSA-N","387197",NA,"PDBC04024","680739","Present"
-"(2-Phenyl-3-phenylmethoxypropyl)cyanamide","","","","","","","","","","","","","","","","","","","","(2-Phenyl-3-phenylmethoxypropyl)cyanamide","","C1=CC=C(C=C1)COCC(CNC#N)C2=CC=CC=C2","GEZCWUGZBHQMOJ-UHFFFAOYSA-N","357707",NA,"PDBC04025","617224","Present"
-"(2-Phenyl-4-thioxo-quinazolin-3-yl) 3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","(2-Phenyl-4-thioxo-quinazolin-3-yl) 3-phenylpropanoate","","C1=CC=C(C=C1)CCC(=O)ON2C(=NC3=CC=CC=C3C2=S)C4=CC=CC=C4","PEECWTNEDKKVRY-UHFFFAOYSA-N","389395",NA,"PDBC04026","685461","Present"
-"(2-Phenylphenyl) 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","2-(Tosyloxy)biphenyl","","CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=CC=CC=C3","BHGWQZFJVFVCCQ-UHFFFAOYSA-N","262324",NA,"PDBC04027","95779","Present"
-"(2-Phenylquinolin-4-yl) 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","2-Phenylquinolin-4-yl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","IOCCHCRWGYJWJX-UHFFFAOYSA-N","363320",NA,"PDBC04028","628141","Present"
-"(2-Sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea","","","","","","","","","","","","","","","","","","","","(2-Sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea","","C1=CNC2=NC(=S)NC(=C21)NC(=S)N","WFEMUIPZUVIHKA-UHFFFAOYSA-N","135447063",NA,"PDBC04029","690964","Present"
-"(2-Tert-Butoxycarbonylamino-4-isobutyrylamino-butyl)-carbamic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","(2-Tert-Butoxycarbonylamino-4-isobutyrylamino-butyl)-carbamic acid tert-butyl ester","","CC(C)C(=O)NCCC(CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C","AFXFQHVLVZKQOP-ZDUSSCGKSA-N","391104",NA,"PDBC04030","689722","Present"
-"(2-Thienyl)(benzo[c][2,7]naphthyridine-4-yl) ketone","","","","","","","","","","","","","","","","","","","","Benzo[c][2,7]naphthyridin-4-yl(thiophen-2-yl)methanone","","C1=CC=C2C(=C1)C3=C(C=N2)C(=NC=C3)C(=O)C4=CC=CS4","KEMFIHVXMAKOGN-UHFFFAOYSA-N","404065",NA,"PDBC04031","720183","Present"
-"(2-chloro-6-fluoro-phenyl)[?]","","","","","","","","","","","","","","","","","","","","(2-chloro-6-fluoro-phenyl)[?]","","C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=C(C=CC=C5Cl)F","XFDWUSABMXHHMJ-UHFFFAOYSA-N","388797",NA,"PDBC04032","683884","Present"
-"(2-fluoro-benzylidene-hydrazinocarbonylmethylsulfanyl)-a...","","","","","","","","","","","","","","","","","","","","(2-fluoro-benzylidene-hydrazinocarbonylmethylsulfanyl)-a...","","C1=CC=C(C(=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=CC=C2F)F","CWBVQYFHHLGLJL-KGIZCEIGSA-N","9572667",NA,"PDBC04033","724060","Present"
-"(2-fluorophenyl)[?]","","","","","","","","","","","","","","","","","","","","(2-fluorophenyl)[?]","","C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=CC=CC=C5F","CXGVQVQQIKIQAC-UHFFFAOYSA-N","388682",NA,"PDBC04034","683701","Present"
-"(20S,22S,23R,26S)-15-Hydroxy-4,8,12,18,22,26-hexamethyl-6,20-bis(2-methylprop-1-enyl)-3,16-dioxaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),5,13(28),18-pentaen-14-one","","","","","","","","","","","","","","","","","","","","(20S,22S,23R,26S)-15-Hydroxy-4,8,12,18,22,26-hexamethyl-6,20-bis(2-methylprop-1-enyl)-3,16-dioxaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),5,13(28),18-pentaen-14-one","","CC1CCC2C(CC(C3=C(C4=C(C1=C23)OC5(C6=C(CC(C7C6=C(C(CC7)C)C(=O)C5(O4)O)C)C=C(C)C)C)C)C=C(C)C)C","UDUCGFYSMTWBGH-OKLYPQKOSA-N","406724",NA,"PDBC04035","725003","Present"
-"(24S)-24-O-Acetyl,8-didehydroshengmanol xyloside","","","","","","","","","","","","","","","","","","","","(24S)-24-O-acetyl,-7,8-didehydroshengmanol xyloside","","CC1CC(OC2(C1C3(CCC45CC46CCC(C(C6CC=C5C3(C2O)C)(C)C)OC7C(C(C(CO7)O)O)O)C)O)C(C(C)(C)O)OC(=O)C","FTUCJLKRCLNNPB-ANMMNYSUSA-N","399181",NA,"PDBC04036","709753","Present"
-"(25R)-26-O-beta-D-Glucopyranosyl-22-O-methy-5.alpaha.-furostan-2alpha,22xi,26-tetrol 3-O-{O-alpha-L-rhamnosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside","","","","","","","","","","","","","","","","","","","","(25R)-26-O-.beta.-D-glucopyranosyl-22-O-methy-5.alpaha.-...","","CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC","CBITYXQPHKKIBT-NDSFAVRRSA-N","398982",NA,"PDBC04037","709381","Present"
-"(2Abeta,4abeta,6bbeta)-2beta-(2-Furyl)octahydro-1,3-diazacyclopenta[cd]pentalene-3,6abeta-dicarboxylic acid 3-benzyl 6a-methyl ester","","","","","","","","","","","","","","","","","","","","5-O-Benzyl 1-O-methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate","","COC(=O)C12CCC3C1C(C(N2)C4=CC=CO4)N(C3)C(=O)OCC5=CC=CC=C5","LHVMCQHRZMYHPI-FSWZZPBRSA-N","401757",NA,"PDBC04038","715487","Present"
-"(2E)-((Aminocarbonothioyl)hydrazono)acetic acid","","","","","","","","","","","","","","","","","","","","STL194061","","C(=NNC(=S)N)C(=O)O","LBPGMKDNBOKEEF-ORCRQEGFSA-N","6864590",NA,"PDBC04039","103752","Present"
-"(2E)-1,2-Bis(4-nitrophenyl)-2-(phenylhydrazono)ethanone","","","","","","","","","","","","","","","","","","","","(2E)-1,2-Bis(4-nitrophenyl)-2-(phenylhydrazono)ethanone","","C1=CC=C(C=C1)NN=C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]","ZXASDXFLOBWRET-ZBJSNUHESA-N","6387140",NA,"PDBC04040","625651","Present"
-"(2E)-1-(2,4-Dichlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(2,4-Dichlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one","","COC1=CC=CC(=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","GQMNYPOMIRUVCM-VMPITWQZSA-N","19562945",NA,"PDBC04041","730590","Present"
-"(2E)-1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","ZMEDBKYDRYWFLR-RUDMXATFSA-N","24204099",NA,"PDBC04042","730586","Present"
-"(2E)-1-(2,4-Dichlorophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(2,4-Dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)C3=C(C=C(C=C3)Cl)Cl","WBKJYHBRUZNOHK-YCRREMRBSA-N","24205165",NA,"PDBC04043","734482","Present"
-"(2E)-1-(4-Chlorophenyl)-3-[4-(3-chlorophenyl)piperazinyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-phneyl)-3-[4-(3-chloro-phenyl)-piperazin-1-y...","","C1CN(CCN1C=CC(=O)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl","IPEZGIFPGVLPHU-CMDGGOBGSA-N","1046791",NA,"PDBC04044","725059","Present"
-"(2E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-2-(phenylhydrazono)butane-1,3-dione","","","","","","","","","","","","","","","","","","","","(2E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-2-(phenylhydrazono)butane-1,3-dione","","CC(=O)C(=NNC1=CC=CC=C1)C(=O)C2=C(C3=C(C(=C2O)OC)OC=C3)OC","PRSLJBWDGGLZJL-PXLXIMEGSA-N","9571499",NA,"PDBC04045","673312","Present"
-"(2E)-1-(Benzenesulfonyl)-2-[(4-nitrophenyl)methylene]pyrrolo[2,3-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","(2E)-1-(Benzenesulfonyl)-2-[(4-nitrophenyl)methylene]pyrrolo[2,3-b]pyridin-3-one","","C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=C2N=CC=C4","UXRPJBWVWOOVKV-QGOAFFKASA-N","5468824",NA,"PDBC04046","676870","Present"
-"(2E)-1-Benzimidazol-2-yl-3-(4-methylthiophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(1H-Benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one","","CSC1=CC=C(C=C1)C=CC(=O)C2=NC3=CC=CC=C3N2","MYLVIEHSGLPOQS-DHZHZOJOSA-N","5472117",NA,"PDBC04047","716334","Present"
-"(2E)-1-Oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","(2E)-1-Oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=O)C2=CNC5=CC=CC(=C5)C(F)(F)F)C#N","XTWOOGKDUJGVCH-HMMYKYKNSA-N","5470350",NA,"PDBC04048","699954","Present"
-"(2E)-2-(1,3-Benzodioxol-5-ylmethylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-(1,3-Benzodioxol-5-ylmethylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","C1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)C1CN4CCOCC4.Cl","SDWZNJCIENZVRP-KYIGKLDSSA-N","6516904",NA,"PDBC04049","639981","Present"
-"(2E)-2-(1-Piperidyl)-2-(2,4,7-trinitrofluoren-9-ylidene)acetonitrile","","","","","","","","","","","","","","","","","","","","(2E)-2-(1-Piperidyl)-2-(2,4,7-trinitrofluoren-9-ylidene)acetonitrile","","C1CCN(CC1)C(=C2C3=C(C=CC(=C3)[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])C#N","HTSVNUNUWJRQSL-CZIZESTLSA-N","3005223",NA,"PDBC04050","684130","Present"
-"(2E)-2-(1H-Indol-3-ylmethylidene)hydrazinecarbothioamide","","","","","","","","","","","","","","","","","","","","ARONIS017515","","C1=CC=C2C(=C1)C(=CN2)C=NNC(=S)N","RZOVCYGQNDYSCH-AWNIVKPZSA-N","135400404",NA,"PDBC04051","63786","Present"
-"(2E)-2-(2,3,3-Trichloro-1-nitro-prop-2-enylidene)thiazolidine","","","","","","","","","","","","","","","","","","","","(2E)-2-(2,3,3-Trichloro-1-nitro-prop-2-enylidene)thiazolidine","","C1CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1","ZWNXZDZJPQZAAK-GQCTYLIASA-N","3004958",NA,"PDBC04052","665110","Present"
-"(2E)-2-(2-Methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-(2-Methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","CC(C)C=C1CCC(C1=O)CN2CCOCC2.Cl","HIRVYTJGLRCRJK-NBYYMMLRSA-N","54608095",NA,"PDBC04053","639499","Present"
-"(2E)-2-(2-Methylpropylidene)-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-(2-Methylpropylidene)-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","CC(C)C=C1CCC(C1=O)CN2CCCC2.Cl","FYTKKMFGJWCZHZ-NBYYMMLRSA-N","54598738",NA,"PDBC04054","639500","Present"
-"(2E)-2-(2-Oxopropylidene)-5-propyl-1H-1,5-benzodiazepin-4-one","","","","","","","","","","","","","","","","","","","","(2E)-2-(2-Oxopropylidene)-5-propyl-1H-1,5-benzodiazepin-4-one","","CCCN1C(=O)CC(=CC(=O)C)NC2=CC=CC=C21","BAUDRCKAFZEAMQ-FMIVXFBMSA-N","5387360",NA,"PDBC04055","622728","Present"
-"(2E)-2-(4-Bromobenzylidene)hydrazinecarboximidamide","","","","","","","","","","","","","","","","","","","","AB01322102-02","","C1=CC(=CC=C1C=NN=C(N)N)Br","ONHBRYWYNVUGHT-LFYBBSHMSA-N","9561657",NA,"PDBC04056","67613","Present"
-"(2E)-2-(6,6-Dimethyl-4-oxo-5,7-dihydro-1,3-benzodithiol-2-ylidene)-6,6-dimethyl-5,7-dihydro-1,3-benzodithiol-4-one","","","","","","","","","","","","","","","","","","","","(2E)-2-(6,6-Dimethyl-4-oxo-5,7-dihydro-1,3-benzodithiol-2-ylidene)-6,6-dimethyl-5,7-dihydro-1,3-benzodithiol-4-one","","CC1(CC2=C(C(=O)C1)SC(=C3SC4=C(S3)C(=O)CC(C4)(C)C)S2)C","IEARFFGZBOREKV-FOCLMDBBSA-N","3004443",NA,"PDBC04057","655168","Present"
-"(2E)-2-(All-trans retinylidene)-N-{[(2E)-2-(all-trans retinylidene)hydrazinyl]carbonothioyl}hydrazinecarbothioamide N3-monosodium salt heminonahydrate","","","","","","","","","","","","","","","","","","","","NSC751958///NSC751959","","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=NNC(=S)NC(=S)NN=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C.O.[Na+]","PQOAWAWAVCOSLZ-NQPWKMLKSA-N","60147637",NA,"PDBC04058","751958///751959","Present"
-"(2E)-2-(Benzoylhydrazono)-7-hydroxy-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","(2E)-2-(Benzoylhydrazono)-7-hydroxy-2H-chromene-3-carboxamide","","C1=CC=C(C=C1)C(=O)NN=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)N","XIHJCPIKUIVRKK-LVZFUZTISA-N","135505200",NA,"PDBC04059","704436","Present"
-"(2E)-2-(Furan-2-ylmethylidene)-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(2E)-2-(Furan-2-ylmethylidene)-1-benzofuran-3-one","","C1=CC=C2C(=C1)C(=O)C(=CC3=CC=CO3)O2","YHQBGGPEHALTKN-XYOKQWHBSA-N","49791621",NA,"PDBC04060","56543","Present"
-"(2E)-2-(Furan-2-ylmethylidene)butanedioic acid","","","","","","","","","","","","","","","","","","","","NSC61735","","C1=COC(=C1)C=C(CC(=O)O)C(=O)O","IGWBCHOUEKOEOW-GQCTYLIASA-N","5356582",NA,"PDBC04061","61735","Present"
-"(2E)-2-(Indan-5-ylmethylene)-3,5,6,7-tetrahydro-s-indacen-1-one","","","","","","","","","","","","","","","","","","","","(2E)-2-(Indan-5-ylmethylene)-3,5,6,7-tetrahydro-s-indacen-1-one","","C1CC2=C(C1)C=C(C=C2)C=C3CC4=C(C3=O)C=C5CCCC5=C4","POGGKAOBPMQTJO-KEBDBYFISA-N","5468714",NA,"PDBC04062","674946","Present"
-"(2E)-2-(Phenylcarbamoylimino)-5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-oxazolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","(2E)-2-(Phenylcarbamoylimino)-5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-oxazolidine-3-carboxamide","","CCCNC(=O)N1CC(OC1=NC(=O)NC2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=C4","GYFVVEPHVHXQHR-AZPGRJICSA-N","5898191",NA,"PDBC04063","697658","Present"
-"(2E)-2-(Tert-butylhydrazinylidene)-3-diethoxyphosphoryl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2E)-2-(Tert-butylhydrazinylidene)-3-diethoxyphosphoryl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide","","CCOP(=O)(CC(=NNC(C)(C)C)C(=O)NC1=NC2=C(S1)C=C(C=C2)C)OCC","QTHKSXGQJBENKX-JCMHNJIXSA-N","9571318",NA,"PDBC04064","642030","Present"
-"(2E)-2-(m-Tolylmethylene)cycloheptanone","","","","","","","","","","","","","","","","","","","","(2E)-2-(m-Tolylmethylene)cycloheptanone","","CC1=CC(=CC=C1)C=C2CCCCCC2=O","JXWRJAWHJOKUKY-SDNWHVSQSA-N","5469546",NA,"PDBC04065","689955","Present"
-"(2E)-2-Benzoyl-3-(2-phenyl-1H-indol-3-yl)acrylonitrile","","","","","","","","","","","","","","","","","","","","(2E)-2-Benzoyl-3-(2-phenyl-1H-indol-3-yl)acrylonitrile","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)C(=O)C4=CC=CC=C4","PVXNBHAMIDEJIT-XDJHFCHBSA-N","5986877",NA,"PDBC04066","746691","Present"
-"(2E)-2-Benzylidene-5a-hydroxy-5-phenyl-5,6,7,8,9,9a-hexahydrothiazolo[2,3-b]quinazolin-3-one","","","","","","","","","","","","","","","","","","","","(2E)-2-Benzylidene-5a-hydroxy-5-phenyl-5,6,7,8,9,9a-hexahydrothiazolo[2,3-b]quinazolin-3-one","","C1CCC2(C(C1)N=C3N(C2C4=CC=CC=C4)C(=O)C(=CC5=CC=CC=C5)S3)O","LARPIEDAGFXNSD-OBGWFSINSA-N","5468526",NA,"PDBC04067","671328","Present"
-"(2E)-2-Benzylidene-6-methoxy-3H-inden-1-one","","","","","","","","","","","","","","","","","","","","2-Benzylidene-6-methoxy-1-indanone","","COC1=CC2=C(CC(=CC3=CC=CC=C3)C2=O)C=C1","WLNXGKLGUVFTLX-NTEUORMPSA-N","5468555",NA,"PDBC04068","671632","Present"
-"(2E)-2-Benzylidenecycloheptan-1-one","","","","","","","","","","","","","","","","","","","","(2E)-2-Benzylidenecycloheptanone","","C1CCC(=CC2=CC=CC=C2)C(=O)CC1","BQCRDGOBIZRDJH-ACCUITESSA-N","5375572",NA,"PDBC04069","689951","Present"
-"(2E)-2-Butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-Butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","CCC(=C1CCC(C1=O)CN2CCOCC2)C.Cl","UHKKWYDYVDKPGS-BNSHTTSQSA-N","50988763",NA,"PDBC04070","639986","Present"
-"(2E)-2-Butan-2-ylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-Butan-2-ylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","CCC(=C1CCC(C1=O)CN(C)C)C.Cl","RYBGRWXYUTXBDA-LBEJWNQZSA-N","54608547",NA,"PDBC04071","639985","Present"
-"(2E)-2-Butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-Butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","CCCC=C1CCC(C1=O)CN(C)C.Cl","VSRNFYAUOSNDBW-AAGWESIMSA-N","5467289",NA,"PDBC04072","649903","Present"
-"(2E)-2-Cyano-2-(6-oxo-2,5-dihydro-[1,2,4]triazolo[3,4-a]phthalazin-3-ylidene)-N-phenylethanethioamide","","","","","","","","","","","","","","","","","","","","(2E)-2-Cyano-2-(6-oxo-2,5-dihydro-[1,2,4]triazolo[3,4-a]phthalazin-3-ylidene)-N-phenylethanethioamide","","C1=CC=C(C=C1)NC(=S)C(=C2NN=C3N2NC(=O)C4=CC=CC=C43)C#N","IWMBVPIUWDCJIB-JQIJEIRASA-N","24205673",NA,"PDBC04073","736356","Present"
-"(2E)-2-Cyano-3-(4-hydroxyphenyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","NSC117971///NSC638074","","C1=CC(=CC=C1C=C(C#N)C(=O)N)O","ILLYSIXRHPOKIQ-VMPITWQZSA-N","5328796",NA,"PDBC04074","117971///638074","Present"
-"(2E)-2-Decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-Decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","CCCCCCCCCC=C1CCC(C1=O)CN2CCOCC2.Cl","MCGSOLCMSCYCAE-DYMYMWKRSA-N","5467302",NA,"PDBC04075","649910","Present"
-"(2E)-2-Decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-Decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","CCCCCCCCCC=C1CCC(C1=O)CN(C)C.Cl","KSNUXNPKZVEQON-CLNHMMGSSA-N","5467300",NA,"PDBC04076","649909","Present"
-"(2E)-2-Ethylidene-5-methoxy-1,3-benzoxathiole 3,3-dioxide","","","","","","","","","","","","","","","","","","","","(2E)-2-Ethylidene-5-methoxy-1,3-benzoxathiole 3,3-dioxide","","CC=C1OC2=C(S1(=O)=O)C=C(C=C2)OC","GKYNIKUFGBDTNR-XCVCLJGOSA-N","5388417",NA,"PDBC04077","635931","Present"
-"(2E)-2-Heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-Heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","CCCCCCC=C1CCC(C1=O)CN2CCOCC2.Cl","ANDLESYYMFDWQE-HAZZGOGXSA-N","5467296",NA,"PDBC04078","649907","Present"
-"(2E)-2-Hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-hexylidene-5-[(4-morpholinyl)methyl]-,...","","CCCCCC=C1CCC(C1=O)CN2CCOCC2.Cl","XTEDSHVEEBVSPK-JSSTZBRYSA-N","21141930",NA,"PDBC04079","639503","Present"
-"(2E)-2-Hydroxyimino-1,1-dioxo-benzothiophen-3-one","","","","","","","","","","","","","","","","","","","","(2E)-2-Hydroxyimino-1,1-dioxo-benzothiophen-3-one","","C1=CC=C2C(=C1)C(=O)C(=NO)S2(=O)=O","PMUIOXSTYQCLRU-CMDGGOBGSA-N","6415265",NA,"PDBC04080","628941","Present"
-"(2E)-2-Hydroxyimino-1-(2,4,5-triphenyl-1H-pyrrol-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","(2E)-2-Hydroxyimino-1-(2,4,5-triphenyl-1H-pyrrol-3-yl)ethanone","","C1=CC=C(C=C1)C2=C(NC(=C2C(=O)C=NO)C3=CC=CC=C3)C4=CC=CC=C4","GFOPCAHBNNNKQR-PCLIKHOPSA-N","9614301",NA,"PDBC04081","131530","Present"
-"(2E)-2-Hydroxyimino-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxo-N-(2,4,5-trichlorophenyl)butanamide","","","","","","","","","","","","","","","","","","","","(2E)-2-Hydroxyimino-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxo-N-(2,4,5-trichlorophenyl)butanamide","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NO)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl","VJKZYNMNGDXZFC-ZVHZXABRSA-N","6399319",NA,"PDBC04082","635544","Present"
-"(2E)-2-Hydroxyiminochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","(2E)-2-Hydroxyiminochromene-3-carboxamide","","C1=CC=C2C(=C1)C=C(C(=NO)O2)C(=O)N","UOBXYGAKWAHOFH-ZRDIBKRKSA-N","5408656",NA,"PDBC04083","701096","Present"
-"(2E)-2-Pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-Pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","CCCCC=C1CCC(C1=O)CN2CCCC2.Cl","MTOKHCQJMXUPBH-FTPOTTDRSA-N","5467293",NA,"PDBC04084","649905","Present"
-"(2E)-2-[(2-Methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-[(2-Methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride","","COC1=CC=CC=C1C=C2CCC(C2=O)CCN3CCOCC3.Cl","RNMONOBXCDOMDE-KLSJZZFUSA-N","6516906",NA,"PDBC04085","639982","Present"
-"(2E)-2-[(2-Methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclohexanone, 2-[(2-methoxyphenyl)methylene]-5-[(4- mor...","","COC1=CC=CC=C1C=C2CCC(C2=O)CN3CCOCC3.Cl","PWNIUNGZKQYDIQ-JRUHLWALSA-N","6516827",NA,"PDBC04086","639520","Present"
-"(2E)-2-[(3,4-Dichlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-[(3,4-Dichlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","CN(C)CC1CCC(=CC2=CC(=C(C=C2)Cl)Cl)C1=O.Cl","WJNHVSUISWVSLV-RVDQCCQOSA-N","50988456",NA,"PDBC04087","639519","Present"
-"(2E)-2-[(3,5-Dichlorophenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one","","","","","","","","","","","","","","","","","","","","2-[(E)-3,5-Dichlorobenzylidene]-5,6-dimethoxyindan-1-one","","COC1=C(C=C2C(=C1)CC(=CC3=CC(=CC(=C3)Cl)Cl)C2=O)OC","FACCLMUVEKKEBB-KGVSQERTSA-N","5469761",NA,"PDBC04088","692311","Present"
-"(2E)-2-[(3,5-Dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydronaphthalen-1-one","","","","","","","","","","","","","","","","","","","","2-[(E)-3,5-Dimethoxybenzylidene]-6,7-dimethoxytetralin-1-one","","COC1=CC(=CC(=C1)C=C2CCC3=CC(=C(C=C3C2=O)OC)OC)OC","GHAJFLOZIHUGDL-VIZOYTHASA-N","5469759",NA,"PDBC04089","692308","Present"
-"(2E)-2-[(3-Chlorophenyl)hydrazono]-1-(6-hydroxy-4,7-dimethoxy-benzofuran-5-yl)butane-1,3-dione","","","","","","","","","","","","","","","","","","","","(2E)-2-[(3-Chlorophenyl)hydrazono]-1-(6-hydroxy-4,7-dimethoxy-benzofuran-5-yl)butane-1,3-dione","","CC(=O)C(=NNC1=CC(=CC=C1)Cl)C(=O)C2=C(C3=C(C(=C2O)OC)OC=C3)OC","PRSJHWCESHTWJE-HZHRSRAPSA-N","9571933",NA,"PDBC04090","673311","Present"
-"(2E)-2-[(3-Nitrophenyl)methylene]cycloheptanone","","","","","","","","","","","","","","","","","","","","(2E)-2-[(3-Nitrophenyl)methylene]cycloheptanone","","C1CCC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC1","FCJXKWDSDZGEHY-FMIVXFBMSA-N","5469552",NA,"PDBC04091","689961","Present"
-"(2E)-2-[(4-Chloroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Chloroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=O)C2=CNC5=CC=C(C=C5)Cl)C#N","ASQOGSDRLKHILK-HMMYKYKNSA-N","1817078",NA,"PDBC04092","699952","Present"
-"(2E)-2-[(4-Chloroanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Chloroanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNC4=CC=C(C=C4)Cl)C#N","ARDMHMAYBHGBQX-LFIBNONCSA-N","5456998",NA,"PDBC04093","712423","Present"
-"(2E)-2-[(4-Chloroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Chloroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=N2)C(=C(C(=CNC4=CC=C(C=C4)Cl)C3=O)C5=CC=CC=C5)C#N","JFSZLRRGGVTYKT-PXLXIMEGSA-N","5470349",NA,"PDBC04094","699953","Present"
-"(2E)-2-[(4-Chlorophenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Chlorophenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride","","C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C1CCN3CCOCC3.Cl","CTHNXTHSBGBTCC-ZUQRMPMESA-N","50988454",NA,"PDBC04095","639984","Present"
-"(2E)-2-[(4-Chlorophenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(4-chlorophenyl)methylene]-5-[(4- mor...","","C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C1CN3CCOCC3.Cl","QPCHSZRRKHSPFF-JHGYPSGKSA-N","50988453",NA,"PDBC04096","639517","Present"
-"(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(4-ethoxyanilino)methyl]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(4-ethoxyanilino)methyl]cyclopentan-1-one","","CCOC1=CC=C(C=C1)NCC2CCC(=CC3=CC=C(C=C3)Cl)C2=O","QIHDKRFDEVJKDM-DTQAZKPQSA-N","6091065",NA,"PDBC04097","639542","Present"
-"(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(4-methylanilino)methyl]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(4-methylanilino)methyl]cyclopentan-1-one","","CC1=CC=C(C=C1)NCC2CCC(=CC3=CC=C(C=C3)Cl)C2=O","RZUMYOMXSOOEAD-FOWTUZBSSA-N","5467971",NA,"PDBC04098","661231","Present"
-"(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","CN(C)CC1CCC(=CC2=CC=C(C=C2)Cl)C1=O.Cl","YANYHOAIRYYGNF-NBYYMMLRSA-N","5387768",NA,"PDBC04099","626881","Present"
-"(2E)-2-[(4-Fluoroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Fluoroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=O)C2=CNC5=CC=C(C=C5)F)C#N","DIAIWIHGFKTPSE-HMMYKYKNSA-N","5470347",NA,"PDBC04100","699950","Present"
-"(2E)-2-[(4-Fluoroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Fluoroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=N2)C(=C(C(=CNC4=CC=C(C=C4)F)C3=O)C5=CC=CC=C5)C#N","QVTRZQPYJNWFEC-PXLXIMEGSA-N","5470348",NA,"PDBC04101","699951","Present"
-"(2E)-2-[(4-Hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one","","","","","","","","","","","","","","","","","","","","1H-Inden-1-one, 2,3-dihydro-2-[(4-hydroxy-3,5-dimethylph...","","CC1=CC(=CC(=C1O)C)C=C2CC3=CC(=C(C=C3C2=O)OC)OC","PSQKEAPNQHILIA-VIZOYTHASA-N","5469772",NA,"PDBC04102","692745","Present"
-"(2E)-2-[(4-Hydroxy-3-methoxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Hydroxy-3-methoxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one","","COC1=CC=CC2=C1OC(=CC3=CC(=C(C=C3)O)OC)C2=O","YOCXMJWCELPPMX-OQLLNIDSSA-N","49791614",NA,"PDBC04103","43320","Present"
-"(2E)-2-[(4-Methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride","","COC1=CC=C(C=C1)C=C2CCC(C2=O)CCN3CCOCC3.Cl","KTVALHAFKGARJO-KLSJZZFUSA-N","50988774",NA,"PDBC04104","639983","Present"
-"(2E)-2-[(4-Methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(4-methoxyphenyl)methylene]-5-[(4- mo...","","COC1=CC=C(C=C1)C=C2CCC(C2=O)CN3CCOCC3.Cl","ARWVGTNXBOJEJT-JRUHLWALSA-N","50988775",NA,"PDBC04105","639512","Present"
-"(2E)-2-[(4-Methoxyphenyl)methylidene]-5-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Methoxyphenyl)methylidene]-5-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]cyclopentan-1-one","","CC1=CC(=NO1)NCC2CCC(=CC3=CC=C(C=C3)OC)C2=O","TUTNKRNMAXCBQH-GXDHUFHOSA-N","5467977",NA,"PDBC04106","661237","Present"
-"(2E)-2-[(4-Methyl-2-quinolyl)hydrazono]propanal","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Methyl-2-quinolyl)hydrazono]propanal","","CC1=CC(=NC2=CC=CC=C12)NN=C(C)C=O","OWARTMUKWKUDNB-XNTDXEJSSA-N","9572009",NA,"PDBC04107","686356","Present"
-"(2E)-2-[(4-Nitrophenyl)methylene]cycloheptanone","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4-Nitrophenyl)methylene]cycloheptanone","","C1CCC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC1","FLOAXIIJLCRQGR-ZRDIBKRKSA-N","5469551",NA,"PDBC04108","689960","Present"
-"(2E)-2-[(4Z)-5-Bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-naphthalen-1-ylacetonitrile","","","","","","","","","","","","","","","","","","","","(2E)-2-[(4Z)-5-Bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-naphthalen-1-ylacetonitrile","","C1=CC=C2C(=C1)C=CC=C2C(=C3C=C(C(=NO)C=C3Cl)Br)C#N","BJDKZONPNOGIEO-MPRWPCGUSA-N","54610169",NA,"PDBC04109","144198","Present"
-"(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[3-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]propyl]acetamide","","","","","","","","","","","","","","","","","","","","(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[3-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]propyl]acetamide","","C1C2C=NC3=CC=CC=C3C(=O)N2CC1=CC(=O)NCCCNC(=O)C=C4CC5C=NC6=CC=CC=C6C(=O)N5C4","DYQBGQKTFQZNGR-KXSHQAFDSA-N","5471188",NA,"PDBC04110","709360","Present"
-"(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[4-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]butyl]acetamide","","","","","","","","","","","","","","","","","","","","(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[4-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]butyl]acetamide","","C1C2C=NC3=CC=CC=C3C(=O)N2CC1=CC(=O)NCCCCNC(=O)C=C4CC5C=NC6=CC=CC=C6C(=O)N5C4","RNLFRFCMJFDFOF-PVZRLHNFSA-N","5471189",NA,"PDBC04111","709361","Present"
-"(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[5-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]pentyl]acetamide","","","","","","","","","","","","","","","","","","","","Acetamide, N,N'-(1,5-pentanediyl)bis[2-(1,3,5,11a-tetrah...","","C1C2C=NC3=CC=CC=C3C(=O)N2CC1=CC(=O)NCCCCCNC(=O)C=C4CC5C=NC6=CC=CC=C6C(=O)N5C4","JLSJFQABDXFMHS-CVYWXUFRSA-N","5471190",NA,"PDBC04112","709362","Present"
-"(2E)-2-[(Z)-2,3-Dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-1,3-oxazolidine","","","","","","","","","","","","","","","","","","","","(2E)-2-[(Z)-2,3-Dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-1,3-oxazolidine","","C1CCN(CC1)C(=C(C(=C2NCCO2)[N+](=O)[O-])Cl)Cl","DOFKHGROBBIIBI-GFULKKFKSA-N","1618700",NA,"PDBC04113","698387","Present"
-"(2E)-2-[(Z)-2,3-Dichloro-3-morpholin-4-yl-1-nitroprop-2-enylidene]-3H-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","(2E)-2-[(Z)-2,3-Dichloro-3-morpholin-4-yl-1-nitroprop-2-enylidene]-3H-1,3-benzoxazole","","C1COCCN1C(=C(C(=C2NC3=CC=CC=C3O2)[N+](=O)[O-])Cl)Cl","MYNIVKDMRUSPSY-PHEQNACWSA-N","5470205",NA,"PDBC04114","698384","Present"
-"(2E)-2-[1-(4-Cyclohexylphenyl)ethylidene]hydrazinecarbothioamide","","","","","","","","","","","","","","","","","","","","NSC625218","","CC(=NNC(=S)N)C1=CC=C(C=C1)C2CCCCC2","BVDRAXGQEFWCBU-GZTJUZNOSA-N","5464929",NA,"PDBC04115","625218","Present"
-"(2E)-2-[1-(9H-Fluoren-2-yl)ethylidene]-N'-methylhydrazine-1-carboximidamide--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","Hydrazinecarboximidamide, 2-[1-(9H-fluoren-2-yl)ethylide...","","CC(=NNC(=NC)N)C1=CC2=C(C=C1)C3=CC=CC=C3C2.Cl","IERAWRYRAYYBLN-DOELHFPHSA-N","54607521",NA,"PDBC04116","298823","Present"
-"(2E)-2-[2-(3-Bromophenyl)propylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-[2-(3-Bromophenyl)propylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","CC(C=C1CCC(C1=O)CN(C)C)C2=CC(=CC=C2)Br.Cl","QQQULCYJFLOBTO-KYIGKLDSSA-N","6516820",NA,"PDBC04117","639510","Present"
-"(2E)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one","","","","","","","","","","","","","","","","","","","","(2E)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one","","CC1=CC=C(C=C1)C2=CC(=O)C(=CC(=O)C3=CC=C(C=C3)Cl)O2","VDQUATUUGBDUCI-VXLYETTFSA-N","5468711",NA,"PDBC04118","674917","Present"
-"(2E)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one","","","","","","","","","","","","","","","","","","","","(2E)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one","","C1=CC=C(C=C1)C2=CC(=O)C(=CC(=O)C3=CC=C(C=C3)Cl)O2","JEHNULRDVZQRHG-VCHYOVAHSA-N","1550412",NA,"PDBC04119","674920","Present"
-"(2E)-2-[2-Oxo-2-(4-pyridyl)ethylidene]-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","(2E)-2-[2-Oxo-2-(4-pyridyl)ethylidene]-1H-quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)NC(=N2)C=C(C3=CC=NC=C3)O","QVTZCHLHHSETCK-LCYFTJDESA-N","135493401",NA,"PDBC04120","634178","Present"
-"(2E)-2-[2-[4-(2-Methylpropyl)phenyl]propylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[2-methyl-2-[4-(2-methylpropyl)- pheny...","","CC(C)CC1=CC=C(C=C1)C(C)C=C2CCC(C2=O)CN3CCOCC3.Cl","LVCKGKWXARUNET-NEMIEIFKSA-N","21141970",NA,"PDBC04121","639976","Present"
-"(2E)-2-[2-[4-(2-Methylpropyl)phenyl]propylidene]-5-(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[2-methyl-2-[4-(2-methylpropyl)phenyl]...","","CC(C)CC1=CC=C(C=C1)C(C)C=C2CCC(C2=O)CN3CCCCC3.Cl","PEIRJBIQKBCOGG-YHLMHSEJSA-N","54605003",NA,"PDBC04122","639978","Present"
-"(2E)-2-[2-[4-(2-Methylpropyl)phenyl]propylidene]-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(2E)-2-[2-[4-(2-Methylpropyl)phenyl]propylidene]-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","CC(C)CC1=CC=C(C=C1)C(C)C=C2CCC(C2=O)CN3CCCC3.Cl","YMKFNUBTBSPWMS-NEMIEIFKSA-N","54608909",NA,"PDBC04123","639977","Present"
-"(2E)-2-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[f]chromen-1-one","","","","","","","","","","","","","","","","","","","","(2E)-2-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[f]chromen-1-one","","COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)C=C3COC4=C(C3=O)C5=CC=CC=C5C=C4","KRGPNNKHNQKOGE-PXLXIMEGSA-N","45028852",NA,"PDBC04124","744633","Present"
-"(2E)-2-[[6-(4-Chlorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridazin-3-yl]hydrazinylidene]propanoic acid","","","","","","","","","","","","","","","","","","","","(2E)-2-[[6-(4-Chlorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridazin-3-yl]hydrazinylidene]propanoic acid","","CC(=NNC1=NN=C(C(=C1)CN2CCCC2)C3=CC=C(C=C3)Cl)C(=O)O","DWIGIFFDKZNJFF-UDWIEESQSA-N","54611826",NA,"PDBC04125","713918","Present"
-"(2E)-3-(1-Adamantylamino)-2-[2-oxo-2-(p-tolyl)ethylidene]-1H-chromeno[3,4-b]pyrazin-5-one","","","","","","","","","","","","","","","","","","","","(2E)-3-(1-Adamantylamino)-2-[2-oxo-2-(p-tolyl)ethylidene]-1H-chromeno[3,4-b]pyrazin-5-one","","CC1=CC=C(C=C1)C(=CC2=C(N=C3C(=N2)C4=CC=CC=C4OC3=O)NC56CC7CC(C5)CC(C7)C6)O","GINCRXVGWZJFPK-CFRMEGHHSA-N","135409015",NA,"PDBC04126","653319","Present"
-"(2E)-3-(2-Chlorophenyl)-2-phenacylidene-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","(2E)-3-(2-Chlorophenyl)-2-phenacylidene-1H-quinazolin-4-one","","C1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl)O","YJSLRSYXIQBKIZ-ZHZULCJRSA-N","135503449",NA,"PDBC04127","633259","Present"
-"(2E)-3-(2-Phenyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","(2E)-3-(2-phenyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylo...","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)S(=O)(=O)C4=CC=CC=C4","KXJCSTMYCGMREV-XDJHFCHBSA-N","45029399",NA,"PDBC04128","746687","Present"
-"(2E)-3-(3-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one","","C1=CC(=CC(=C1)Cl)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","SKCBOPNZFPCHRQ-QPJJXVBHSA-N","11045166",NA,"PDBC04129","729972","Present"
-"(2E)-3-(4-Chlorophenyl)-2-[2-oxo-2-(4-pyridyl)ethylidene]-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","(2E)-3-(4-Chlorophenyl)-2-[2-oxo-2-(4-pyridyl)ethylidene]-1H-quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)N(C(=N2)C=C(C3=CC=NC=C3)O)C4=CC=C(C=C4)Cl","DOKPSUMBAXOMDD-UYRXBGFRSA-N","135503454",NA,"PDBC04130","634223","Present"
-"(2E)-3-Allyl-6-methyl-2-[4-oxo-3-(p-tolyl)-2-thioxo-thiazolidin-5-ylidene]thiazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","(2E)-6-Methyl-2-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one","","CC1=CC=C(C=C1)N2C(=O)C(=C3N(C4=C(S3)C(=O)N(C=N4)C)CC=C)SC2=S","ZAHPAUANMATZDI-NBVRZTHBSA-N","3004435",NA,"PDBC04131","653414","Present"
-"(2E)-3-[3,5-Bis(trifluoromethyl)phenylthio]-1-(4-chlorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","3-(3,5-Bis-trifluoromethyl-phenylsulfanyl)-1-(4-chloro-p...","","C1=CC(=CC=C1C(=O)C=CSC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl","ZJXHIUMSGGJZJZ-AATRIKPKSA-N","6181983",NA,"PDBC04132","735169","Present"
-"(2E)-4,7-Dibromo-2-hydroxyimino-3H-inden-1-one","","","","","","","","","","","","","","","","","","","","(2E)-4,7-Dibromo-2-hydroxyimino-3H-inden-1-one","","C1C2=C(C=CC(=C2C(=O)C1=NO)Br)Br","AIRYXJLKJITIFI-KPKJPENVSA-N","54612113",NA,"PDBC04133","713190","Present"
-"(2E)-4-(4-Chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiole","","","","","","","","","","","","","","","","","","","","(2E)-4-(4-Chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiole","","C1=CC(=CC=C1CSC2=C(SC(=C3SC(=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl)S2)C6=CC=C(C=C6)Cl)[N+](=O)[O-]","DIOJIILCQFHBDW-QNEJGDQOSA-N","3004934",NA,"PDBC04134","664020","Present"
-"(2E)-4-Bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one","","","","","","","","","","","","","","","","","","","","(2E)-4-Bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one","","C1=CC=C(C=C1)C2=C(C(=O)C(=CC(=O)C3=CC=C(C=C3)Br)O2)Br","IGZKPEHONHSLAT-XNTDXEJSSA-N","5468710",NA,"PDBC04135","674915","Present"
-"(2E)-5,6-Dimethoxy-2-[(3,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one","","","","","","","","","","","","","","","","","","","","5,6-Dimethoxy-2-(3,4,5-trimethoxybenzylidene)-1-indanone","","COC1=CC(=CC(=C1OC)OC)C=C2CC3=CC(=C(C=C3C2=O)OC)OC","XGOGZOBCYBIIOZ-MKMNVTDBSA-N","5468557",NA,"PDBC04136","671634","Present"
-"(2E)-5,6-Dimethoxy-2-[(3-phenacyloxyphenyl)methylidene]-3H-inden-1-one","","","","","","","","","","","","","","","","","","","","(2E)-5,6-Dimethoxy-2-[(3-phenacyloxyphenyl)methylidene]-3H-inden-1-one","","COC1=C(C=C2C(=C1)CC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=CC=C4)C2=O)OC","DYSBPHAWJRAUAL-RGVLZGJSSA-N","45028869",NA,"PDBC04137","744650","Present"
-"(2E)-5,6-Dimethyl-2-[4-oxo-3-(p-tolyl)-2-thioxo-thiazolidin-5-ylidene]-3-phenyl-thiazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","(2E)-5,6-Dimethyl-2-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one","","CC1=CC=C(C=C1)N2C(=O)C(=C3N(C4=C(S3)C(=O)N(C(=N4)C)C)C5=CC=CC=C5)SC2=S","HQTNXYPZIHRIEJ-RELWKKBWSA-N","3004434",NA,"PDBC04138","653413","Present"
-"(2E)-5-Ethyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one","","","","","","","","","","","","","","","","","","","","(2E)-5-Ethyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one","","CCN1C(=O)CC(=CC(=O)C)NC2=CC=CC=C21","XAEOTIATZZMIHS-DHZHZOJOSA-N","5387359",NA,"PDBC04139","622727","Present"
-"(2E)-5-Methyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one","","","","","","","","","","","","","","","","","","","","(2E)-5-Methyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one","","CC(=O)C=C1CC(=O)N(C2=CC=CC=C2N1)C","YCIMIWSJTNBBPH-JXMROGBWSA-N","5387358",NA,"PDBC04140","622726","Present"
-"(2E)-5-Methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(2E)-5-Methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one","","CC1C(=O)NC(=NC2=NN=C(O2)C3=CC=CC=C3)S1","OQZPIHYCHYGSJS-UHFFFAOYSA-N","135496301",NA,"PDBC04141","707107","Present"
-"(2E)-5-Nitro-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole","","","","","","","","","","","","","","","","","","","","(2E)-5-Nitro-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole","","C1=CC2=C(C=C1[N+](=O)[O-])NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2","GNYQAQGKSWHZNB-CSKARUKUSA-N","3106768",NA,"PDBC04142","698368","Present"
-"(2E)-6-Acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-3-one","","","","","","","","","","","","","","","","","","","","(2E)-6-Acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-3-one","","CC1=C(SC2=[N+]1C(=O)C(=CC3=CC=CC=C3Cl)S2)C(=O)C","VOSPTOAMNUGYRV-KPKJPENVSA-N","5351417",NA,"PDBC04143","658285","Present"
-"(2E)-6-[(E)-(4-Methoxyphenyl)methyleneamino]-2-[4-oxo-3-(p-tolyl)-2-thioxo-thiazolidin-5-ylidene]-3-phenyl-thiazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","(2E)-6-[(E)-(4-Methoxyphenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one","","CC1=CC=C(C=C1)N2C(=O)C(=C3N(C4=C(S3)C(=O)N(C=N4)N=CC5=CC=C(C=C5)OC)C6=CC=CC=C6)SC2=S","PGIISAGFIVWKIY-LJVFCPPBSA-N","9571408",NA,"PDBC04144","653415","Present"
-"(2E)-7,8-Dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","(2E)-7,8-Dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=N2)C(=C(C(=CNC4=CC=CC(=C4)C(F)(F)F)C3=O)C5=CC=CC=C5)C#N","LXYDQNPOQZVCEO-PXLXIMEGSA-N","5470351",NA,"PDBC04145","699955","Present"
-"(2E)-7-Methoxy-2-[(3-phenacyloxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one","","","","","","","","","","","","","","","","","","","","(2E)-7-Methoxy-2-[(3-phenacyloxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one","","COC1=CC2=C(CCC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=CC=C4)C2=O)C=C1","LOROVRJYZWVYKE-KGENOOAVSA-N","45028855",NA,"PDBC04146","744636","Present"
-"(2E)-N-(2-Chloro-6-methylphenyl)-3-phenyl-2-propenamide","","","","","","","","","","","","","","","","","","","","(2E)-N-(2-Chloro-6-methylphenyl)-3-phenyl-2-propenamide","","CC1=C(C(=CC=C1)Cl)NC(=O)C=CC2=CC=CC=C2","LJRDTJXBWJQULY-ZHACJKMWSA-N","5351261",NA,"PDBC04147","191393","Present"
-"(2E)-N-(2-Iodophenyl)-N,3,3-trimethyl-2-[2-tri(propan-2-yl)silyloxyethylidene]pent-4-enamide","","","","","","","","","","","","","","","","","","","","(2E)-N-(2-Iodophenyl)-N,3,3-trimethyl-2-[2-tri(propan-2-yl)silyloxyethylidene]pent-4-enamide","","CC(C)[Si](C(C)C)(C(C)C)OCC=C(C(=O)N(C)C1=CC=CC=C1I)C(C)(C)C=C","GZYVEYSDFNCWHY-PGMHBOJBSA-N","5469957",NA,"PDBC04148","694692","Present"
-"(2E)-N-(3-Methylphenyl)-3-(4-nitrophenyl)acrylamide","","","","","","","","","","","","","","","","","","","","(2E)-N-(3-Methylphenyl)-3-(4-nitrophenyl)acrylamide","","CC1=CC(=CC=C1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]","VPNQICVSXJMXGC-JXMROGBWSA-N","5351237",NA,"PDBC04149","139109","Present"
-"(2E)-N-(Prop-2-yn-1-yl)-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","(2E)-N-(Prop-2-yn-1-yl)-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide","","CC(=NNC(=S)NCC#C)C1=CC=CC=N1","MWYUXHHRPMWTPV-NTEUORMPSA-N","12563275",NA,"PDBC04150","317909","Present"
-"(2E)-N-Cyclohexyl-3-(5-nitro-2-furyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acrylamide","","","","","","","","","","","","","","","","","","","","(2E)-N-Cyclohexyl-3-(5-nitro-2-furyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acrylamide","","CC1(CC(CC(N1)(C)C)N(C2CCCCC2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-])C","GVQGXSUXPMJCMX-ZRDIBKRKSA-N","5897425",NA,"PDBC04151","632541","Present"
-"(2E)-N-Propyl-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","(2E)-N-Propyl-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide","","CCCNC(=S)NN=C(C)C1=CC=CC=N1","WYTOKZJSUZKLNF-NTEUORMPSA-N","5371176",NA,"PDBC04152","317908","Present"
-"(2E)-[(4E)-3-Chloro-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2E)-[(4E)-3-Chloro-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)acetonitrile","","C1=CC=C(C=C1)C(=C2C=CC(=NO)C(=C2)Cl)C#N","PUGDLVPAXCLGPY-KMAOEOGZSA-N","54611238",NA,"PDBC04153","405157","Present"
-"(2E,4E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one","","","","","","","","","","","","","","","","","","","","(2E,4E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC=CC2=CC=CC=C2","FUQYXHNKZYPNRC-WFYKWJGLSA-N","54611541",NA,"PDBC04154","709096","Present"
-"(2E,4E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-5-phenylpenta-2,4-dien-1-one","","","","","","","","","","","","","","","","","","","","(2E,4E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-5-phenylpenta-2,4-dien-1-one","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC=CC3=CC=CC=C3","MBOPKNTYKVSWLN-XMGZOKRTSA-N","5387187",NA,"PDBC04155","621483","Present"
-"(2E,4E)-1-(Furan-2-yl)-5-phenylpenta-2,4-dien-1-one","","","","","","","","","","","","","","","","","","","","1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one","","C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CO2","WGZYMAVQZOPSBA-LUZURFALSA-N","6310903",NA,"PDBC04156","308819","Present"
-"(2E,4E)-1-[2-(2-Methyl-1H-indol-3-yl)indolin-1-yl]-5-phenyl-penta-2,4-dien-1-one","","","","","","","","","","","","","","","","","","","","(2E,4E)-1-[2-(2-Methyl-1H-indol-3-yl)indolin-1-yl]-5-phenyl-penta-2,4-dien-1-one","","CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)C=CC=CC5=CC=CC=C5","OYVODWJYQVPYKM-KYSZAUAASA-N","5388205",NA,"PDBC04157","633486","Present"
-"(2E,4E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-4-methyl-5-phenyl-penta-2,4-dien-1-one","","","","","","","","","","","","","","","","","","","","(2E,4E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-4-methyl-5-phenylpenta-2,4-dien-1-one","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC(=CC5=CC=CC=C5)C","FGKMUICUBCAKMJ-RFBAJPLNSA-N","5466653",NA,"PDBC04158","640353","Present"
-"(2E,4E)-1-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-5-phenylpenta-2,4-dien-1-one","","","","","","","","","","","","","","","","","","","","(2E,4E)-1-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-5-phenylpenta-2,4-dien-1-one","","C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5","DZMARDRFARGXJK-KMKPNOTNSA-N","45028640",NA,"PDBC04159","743534","Present"
-"(2E,4E)-5-Phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dien-1-one","","","","","","","","","","","","","","","","","","","","(2E,4E)-5-Phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dien-1-one","","C1CCC2=C(C1)C=CC(=C2)C(=O)C=CC=CC3=CC=CC=C3","ZYWFERUFZOBVOX-GODDPXKCSA-N","54611498",NA,"PDBC04160","707563","Present"
-"(2E,4E,6Z,8E)-N-(1,3-Benzodioxol-5-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide","","","","","","","","","","","","","","","","","","","","(2E,4E,6Z,8E)-N-(1,3-Benzodioxol-5-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide","","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC3=C(C=C2)OCO3)C)C","DOOSIIKTOPOTGM-FEILZYSXSA-N","24202490",NA,"PDBC04161","672131","Present"
-"(2E,4E,6Z,8E)-N-(4-Methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide","","","","","","","","","","","","","","","","","","","","(2E,4E,6Z,8E)-N-(4-Methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide","","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)OC)C)C","DBQHWMPFMCOGIW-HTEVJLBVSA-N","6153376",NA,"PDBC04162","674930","Present"
-"(2E,4S,5S,6E)-4-Hydroxy-5-[(tert-butyldimethylsilyl)oxy]-2,6-octadienoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl-(4S,5S)-4-hydroxy-5-tert-butyldimethylsilyoxy-2,6-...","","CCOC(=O)C=CC(C(C=CC)O[Si](C)(C)C(C)(C)C)O","SORUWOFRPURMIT-CJVQNTMISA-N","5468988",NA,"PDBC04163","680773","Present"
-"(2E,4Z)-5-Chloro-1-(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one","","","","","","","","","","","","","","","","","","","","5-chloro-1-(7-chloro-3-methyl-1,4-dioxyquinoxalin-2-yl)-...","","CC1=C([N+](=C2C=C(C=CC2=[N+]1[O-])Cl)[O-])C(=O)C=CC=C(C3=CC(=C(C(=C3)OC)OC)OC)Cl","CMKMFAXVLYHKGT-ZETDYYLHSA-N","155808203",NA,"PDBC04164","757002","Present"
-"(2E,5Z)-2-(1-Benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenylimino-imidazolidine-4-thione","","","","","","","","","","","","","","","","","","","","(2E,5Z)-2-(1-Benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenylimino-imidazolidine-4-thione","","C1=CC=C(C=C1)C[N+]2=CC=CC=C2N=C3N(C(=NC4=CC=CC=C4)C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","LOMJBXJXESETQC-UHFFFAOYSA-M","6518831",NA,"PDBC04165","671400","Present"
-"(2E,6E)-9-[(2S,3S)-3-But-3-ynyl-2-methyloxiran-2-yl]-6-methylnona-2,6-dienal","","","","","","","","","","","","","","","","","","","","(2E,6E)-9-[(2S,3S)-3-But-3-ynyl-2-methyloxiran-2-yl]-6-methylnona-2,6-dienal","","CC(=CCCC1(C(O1)CCC#C)C)CCC=CC=O","AQVYZWCGELYKDV-WPOYRCCNSA-N","5387053",NA,"PDBC04166","619988","Present"
-"(2E,9Z)-2,9,16-Heptadecatrien-4,6-diyn-1,8-diol","","","","","","","","","","","","","","","","","","","","(2E,8R,9Z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol","","C=CCCCCCC=CC(C#CC#CC=CCO)O","UOQDNDFAPLNEJQ-BWWIHZRHSA-N","24205422",NA,"PDBC04167","735473","Present"
-"(2R) Ethyl 3-(2-hydroxypropyl)amino-2-(1H-benzimidazol-2-yl) acrylate","","","","","","","","","","","","","","","","","","","","(2R) Ethyl 3-(2-hydroxypropyl)amino-2-(1H-benzimidazol-2...","","CCOC(=O)C(=CNCC(C)O)C1=NC2=CC=CC=C2N1","ITOZSEGUHPGNNR-QLWWJYNRSA-N","5471366",NA,"PDBC04168","710861","Present"
-"(2R)-1-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperidin-2-ol","","","","","","","","","","","","","","","","","","","","(2R)-1-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperidin-2-ol","","COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCCCC5O)OCO4","PXGPQRQLZXUMFO-JOCHJYFZSA-N","24205683",NA,"PDBC04169","736379","Present"
-"(2R)-1-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperidin-2-ol","","","","","","","","","","","","","","","","","","","","(2R)-1-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperidin-2-ol","","C1CCN(C(C1)O)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6","STYZXBUHBWQRRN-MUUNZHRXSA-N","24205682",NA,"PDBC04170","736378","Present"
-"(2R)-1-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]pyrrolidin-2-ol","","","","","","","","","","","","","","","","","","","","(2R)-1-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]pyrrolidin-2-ol","","C1CC(N(C1)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6)O","IIRXWMHBLREWQG-HHHXNRCGSA-N","24205684",NA,"PDBC04171","736380","Present"
-"(2R)-1-[[[(2R)-2-Carboxypyrrolidin-1-yl]methyl-hydroxyphosphoryl]methyl]pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","(2R)-1-[[[(2R)-2-Carboxypyrrolidin-1-yl]methyl-hydroxyphosphoryl]methyl]pyrrolidine-2-carboxylic acid","","C1CC(N(C1)CP(=O)(CN2CCCC2C(=O)O)O)C(=O)O","HLXLOCHSEWPILP-NXEZZACHSA-N","397184",NA,"PDBC04172","704591","Present"
-"(2R)-2,4alpha-Diacetoxy-5beta-[1-fluoro-2-[bis(benzyloxy)phosphinyloxy]ethyl]oxolane-2alpha-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","NSC718131///NSC718132","","CCOC(=O)C1(CC(C(O1)C(COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)F)OC(=O)C)OC(=O)C","ZQWDGRZAJNHGPI-HEPFJCSVSA-N","6712883",NA,"PDBC04173","718131///718132","Present"
-"(2R)-2-Phenyl-2-(1-pyridin-2-ylbut-3-enylamino)ethanol","","","","","","","","","","","","","","","","","","","","(2R)-2-Phenyl-2-(1-pyridin-2-ylbut-3-enylamino)ethanol","","C=CCC(C1=CC=CC=N1)NC(CO)C2=CC=CC=C2","WXWUNEJPRKGNKM-DJNXLDHESA-N","24205354",NA,"PDBC04174","735303","Present"
-"(2R)-2-Phenyl-2-(1-quinolin-2-ylbut-3-enylamino)ethanol","","","","","","","","","","","","","","","","","","","","(2R)-2-Phenyl-2-(1-quinolin-2-ylbut-3-enylamino)ethanol","","C=CCC(C1=NC2=CC=CC=C2C=C1)NC(CO)C3=CC=CC=C3","LOTCPSFNWDPBBI-QWAKEFERSA-N","24205356",NA,"PDBC04175","735305","Present"
-"(2R)-2-[(2R)-5-Carbamoyl-1-[(2,6-dichlorophenyl)methyl]-4-methyl-2H-pyridin-2-yl]-1-[(2,6-dichlorophenyl)methyl]-4-methyl-2H-pyridine-5-carboxamide","","","","","","","","","","","","","","","","","","","","(2R)-2-[(2R)-5-Carbamoyl-1-[(2,6-dichlorophenyl)methyl]-4-methyl-2H-pyridin-2-yl]-1-[(2,6-dichlorophenyl)methyl]-4-methyl-2H-pyridine-5-carboxamide","","CC1=CC(N(C=C1C(=O)N)CC2=C(C=CC=C2Cl)Cl)C3C=C(C(=CN3CC4=C(C=CC=C4Cl)Cl)C(=O)N)C","ZIGCVERPRMBFJR-CLJLJLNGSA-N","401228",NA,"PDBC04176","714435","Present"
-"(2R)-2-[(2R,3S)-2-[(E)-2-(3-Chlorophenyl)ethenyl]-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-4-oxo-N-[(1R)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","(R)-4-([1,4'-bipiperidin]-1'-yl)-2-((2R,3S)-2-((E)-3-chl...","","CC(C1=CC=CC=C1)NC(=O)C(CC(=O)N2CCC(CC2)N3CCCCC3)N4C(C(C4=O)N5C(COC5=O)C6=CC=CC=C6)C=CC7=CC(=CC=C7)Cl","SCUZXSYEIHETRD-AFAPVMNMSA-N","155812090",NA,"PDBC04177","782570","Present"
-"(2R)-2-[(3S,4R)-3-Methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide","","","","","","","","","","","","","","","","","","","","[1,4'-Bipiperidine]-1'-butanamide, alpha-[(3S,4R)-3-meth...","","CC1(C(N(C1=O)C(CC(=O)N2CCC(CC2)N3CCCCC3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)C=CC5=CC=CC=C5)N6C(COC6=O)C7=CC=CC=C7","WACWXKFQHHCKNM-MSZJRMABSA-N","11400071",NA,"PDBC04178","782886","Present"
-"(2R)-2-[(4-Benzamidophenyl)sulfonylamino]propanoic acid","","","","","","","","","","","","","","","","","","","","NSC627215","","CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","XFZWVVHQYZGKPH-LLVKDONJSA-N","5387782",NA,"PDBC04179","627215","Present"
-"(2R)-2-[3-Chloro-4,5-bis(phenylmethoxy)phenyl]-2-[[(1R,2R,4S,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]ethanamine","","","","","","","","","","","","","","","","","","","","(2R)-2-[3-Chloro-4,5-bis(phenylmethoxy)phenyl]-2-[[(1R,2R,4S,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]ethanamine","","CC1(C2CCC1(C3C2CC(O3)OC(CN)C4=CC(=C(C(=C4)Cl)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C)C","BVGWFRPIXPSLDA-TZZAJGITSA-N","402134",NA,"PDBC04180","715991","Present"
-"(2R)-2-[[(2S)-2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide","","","","","","","","","","","","","","","","","","","","(2R)-2-[[(2S)-2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide","","CC(C(=O)NC(CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","LTFUPIPJLCYCNQ-GYNBGYAISA-N","393686",NA,"PDBC04181","696075","Present"
-"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]pentanediamide","","","","","","","","","","","","","","","","","","","","(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]pentanediamide","","CC(C(=O)NC(CCC(=O)NCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","GYAVOWHOELUWTK-XVGXCWDFSA-N","6712544",NA,"PDBC04182","696077","Present"
-"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide","","","","","","","","","","","","","","","","","","","","(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide","","CC(C(=O)NC(CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","FJDILJGTDXMCMW-QOLHAAGSSA-N","393685",NA,"PDBC04183","696074","Present"
-"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide","","","","","","","","","","","","","","","","","","","","(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide","","CC(C(=O)NC(CCC(=O)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","WYKIPYLBZCTBLY-UFRUCMRISA-N","393689",NA,"PDBC04184","696078","Present"
-"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]propyl]pentanediamide","","","","","","","","","","","","","","","","","","","","(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]propyl]pentanediamide","","CC(C(=O)NC(CCC(=O)NCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","JKRNJOYPLZQNRT-IIDAFLTHSA-N","393687",NA,"PDBC04185","696076","Present"
-"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide","","","","","","","","","","","","","","","","","","","","(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide","","CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","JAEXQNXRILZTOQ-QOLHAAGSSA-N","393684",NA,"PDBC04186","696073","Present"
-"(2R)-4-Formyl-2-[(4-hydroxyphenyl)methyl]-1,3-dihydropyrazolo[1,5-a]indole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","(2R)-4-Formyl-2-[(4-hydroxyphenyl)methyl]-1,3-dihydropyrazolo[1,5-a]indole-2-carboxylic acid","","C1C2=C(C3=CC=CC=C3N2NC1(CC4=CC=C(C=C4)O)C(=O)O)C=O","VCMFYNNPHAYLGE-LJQANCHMSA-N","398182",NA,"PDBC04187","707777","Present"
-"(2R)-4-[(12S)-12-Hydroxy-12-[(2S)-5-oxooxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","(2R)-4-[(12S)-12-Hydroxy-12-[(2S)-5-oxooxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one","","CC1C=C(C(=O)O1)CCCCCCCCCCCC(C2CCC(=O)O2)O","IZTIFTPQZRSUOB-NEWSRXKRSA-N","24203209",NA,"PDBC04188","727189","Present"
-"(2R)-6-Methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol","","","","","","","","","","","","","","","","","","","","(2R)-6-Methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol","","CCC(C=CCCC1(OCCO1)CC(CCC=C(C)C)O)O[Si](C(C)C)(C(C)C)C(C)C","ULPUARIMGQKHOC-DNIGYFMASA-N","5471932",NA,"PDBC04189","715461","Present"
-"(2R,10R)-2,6,6,10-Tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[12.3.1.01,14.02,11.05,10]octadecan-7-one","","","","","","","","","","","","","","","","","","","","(2R,10R)-2,6,6,10-Tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[12.3.1.01,14.02,11.05,10]octadecan-7-one","","CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(=O)C5(C)C)C)OC6C(C(C(C(O6)CO)O)O)O)C","MHMLZKBLIXNKLW-NZYRESGYSA-N","11970075",NA,"PDBC04190","663005","Present"
-"(2R,11As)-2,3-Dihydro-8-benzyloxy-2beta-hydroxy-7-methoxy-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione","","","","","","","","","","","","","","","","","","","","(6As,8R)-8-hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione","","COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C(=O)N2)O)OCC4=CC=CC=C4","MUCMYVAQMSQYSC-CJNGLKHVSA-N","396542",NA,"PDBC04191","703012","Present"
-"(2R,11As)-2-Fluoro-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1-H-benzo[e]-pyrrolo[1,2-a][1,4]diazepine-8-yl}propyl)piperazino]propoxy}-2-fluoro-7-Methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2a][1,4]diazepin-5one","","","","","","","","","","","","","","","","","","","","(2R,11aS)-8- {2-[4-(2-{[(2R,11aS)-2-Fluoro-7-Methoxy-5-o...","","COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)F)OCCCN4CCN(CC4)CCCOC5=C(C=C6C(=C5)N=CC7CC(CN7C6=O)F)OC","IFSWCDUZMRLVNK-XPGKHFPBSA-N","45028795",NA,"PDBC04192","744330","Present"
-"(2R,11As)-C2-di-Fluoro-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1-H-benzo[e]-pyrrolo[1,2-a][1,4]diazepine-8-yl}propyl)piperazino]propoxy}-C2-di-fluoro-7-Methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2a][1,4]diazepin-5one","","","","","","","","","","","","","","","","","","","","(2R,11aS)-8- {2-[4-(2-{[(2R,11aS)-C2-di-Fluoro-7-Methoxy...","","COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)(F)F)OCCCN4CCN(CC4)CCCOC5=C(C=C6C(=C5)N=CC7CC(CN7C6=O)(F)F)OC","KYPJBYKWBGJIRJ-ZEQRLZLVSA-N","44204058",NA,"PDBC04193","744331","Present"
-"(2R,12R,13S)-4,5,9,11,13,15,19-Heptamethyl-7,17-diphenyl-5,7,8,16,17,19-hexazahexacyclo[10.7.1.11,4.02,11.06,10.014,18]henicosa-6(10),8,14(18),15-tetraene","","","","","","","","","","","","","","","","","","","","1,4,5,5a,6,7,10,11,11a,13-decahydro-3,4,5a,6,9,10,13-ept...","","CC1C2CC3(CC4(CC3C2(C5=C(N4C)N(N=C5C)C6=CC=CC=C6)C)C)N(C7=C1C(=NN7C8=CC=CC=C8)C)C","XPXNXLXLFILZKW-KNAZKQHRSA-N","155806798",NA,"PDBC04194","765766","Present"
-"(2R,12R,13S)-7,17-Bis(4-methoxyphenyl)-4,5,9,11,13,15,19-heptamethyl-5,7,8,16,17,19-hexazahexacyclo[10.7.1.11,4.02,11.06,10.014,18]henicosa-6(10),8,14(18),15-tetraene","","","","","","","","","","","","","","","","","","","","(5S,6aR,7S,12S,13S,13aS)-3,9-bis(4-methoxyphenyl)-1,4,5,...","","CC1C2CC3(CC4(CC3C2(C5=C(N4C)N(N=C5C)C6=CC=C(C=C6)OC)C)C)N(C7=C1C(=NN7C8=CC=C(C=C8)OC)C)C","IJZZCKISZFJMLY-QMUZGWHBSA-N","155808207",NA,"PDBC04195","765770","Present"
-"(2R,12S)-4,5,9,11,15,19-Hexamethyl-13-methylidene-7,17-diphenyl-5,7,8,16,17,19-hexazahexacyclo[10.7.1.11,4.02,11.06,10.014,18]henicosa-6(10),8,14(18),15-tetraene","","","","","","","","","","","","","","","","","","","","1,4,5,5a,6,7,10,11,11a,13-Decahydro-3,5a,6,9,10,13-hexam...","","CC1=NN(C2=C1C(=C)C3CC4(N2C)CC5(CC4C3(C6=C(N5C)N(N=C6C)C7=CC=CC=C7)C)C)C8=CC=CC=C8","NHFSUXLRHXIIBC-XXEWBFARSA-N","155813017",NA,"PDBC04196","765762","Present"
-"(2R,12S)-7,17-Bis(4-methoxyphenyl)-4,5,9,11,15,19-hexamethyl-13-methylidene-5,7,8,16,17,19-hexazahexacyclo[10.7.1.11,4.02,11.06,10.014,18]henicosa-6(10),8,14(18),15-tetraene","","","","","","","","","","","","","","","","","","","","1,4,5,5a,6,7,10,11,11a,13-decahydro-3,5a,6,9,10,13-hexa-...","","CC1=NN(C2=C1C(=C)C3CC4(N2C)CC5(CC4C3(C6=C(N5C)N(N=C6C)C7=CC=C(C=C7)OC)C)C)C8=CC=C(C=C8)OC","CGZUXUNNEAXGJO-KMMWQESNSA-N","155815968",NA,"PDBC04197","765765","Present"
-"(2R,13R,16Z,18S)-16-Hydroxyimino-2,18-dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one","","","","","","","","","","","","","","","","","","","","(2R,13R,16Z,18S)-16-Hydroxyimino-2,18-dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one","","CC12CCC3=NON=C3C1CCC4C2CCC5(C4CC(=NO)C5=O)C","KINBHFUHBUNAOF-NBQFSGFUSA-N","54608104",NA,"PDBC04198","645465","Present"
-"(2R,13R,17S,18S)-7-(4-Fluorophenyl)-2,18-dimethyl-6,7,9-triazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol","","","","","","","","","","","","","","","","","","","","(2R,13R,17S,18S)-7-(4-Fluorophenyl)-2,18-dimethyl-6,7,9-triazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol","","CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(N4)N(N=C5)C6=CC=C(C=C6)F)C","CDGIYWNEIDGTBY-RVIUJWOKSA-N","376242",NA,"PDBC04199","656925","Present"
-"(2R,13R,18S)-2,18-Dimethyl-7-phenyl-6,7,8-triazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one","","","","","","","","","","","","","","","","","","","","(2R,13R,18S)-2,18-Dimethyl-7-phenyl-6,7,8-triazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one","","CC12CCC3=NN(N=C3C1CCC4C2CCC5(C4CCC5=O)C)C6=CC=CC=C6","JRKQWOULOHTFDW-KHBGUBENSA-N","371335",NA,"PDBC04200","645466","Present"
-"(2R,3As)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","(2R,3As)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylic acid","","C1C2CC(NN2C3=CC=CC=C31)(CC4=CC=C(C=C4)O)C(=O)O","XSFACNQCHRZSHQ-KBXCAEBGSA-N","398180",NA,"PDBC04201","707775","Present"
-"(2R,3R)-2,3-Bis(2-phenylethyl)-1,4-dioxaspiro[4.5]decane-6,9-diene-8-one","","","","","","","","","","","","","","","","","","","","(2r,3r)-2,3-Bis(2-phenylethyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one","","C1=CC=C(C=C1)CCC2C(OC3(O2)C=CC(=O)C=C3)CCC4=CC=CC=C4","DNGVLXGETHOTAW-DHIUTWEWSA-N","404469",NA,"PDBC04202","720701","Present"
-"(2R,3R)-2,3-Bis(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one","","","","","","","","","","","","","","","","","","","","(2r,3r)-2,3-Bis[(benzyloxy)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one","","C1=CC=C(C=C1)COCC2C(OC3(O2)C=CC(=O)C=C3)COCC4=CC=CC=C4","ZIKRNDNVOAMMLC-DHIUTWEWSA-N","404468",NA,"PDBC04203","720700","Present"
-"(2R,3R)-2,3-Dibenzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one","","","","","","","","","","","","","","","","","","","","(2R,3R)-2,3-Dibenzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one","","C1=CC=C(C=C1)CC2C(OC3(O2)C=CC(=O)C=C3)CC4=CC=CC=C4","UQYRAZQBGUKVIA-NHCUHLMSSA-N","404470",NA,"PDBC04204","720702","Present"
-"(2R,3R)-2,3-Dibromo-2-methylbutanedioic acid","","","","","","","","","","","","","","","","","","","","(2r,3r)-2,3-Dibromo-2-methylbutanedioic acid","","CC(C(C(=O)O)Br)(C(=O)O)Br","FSWZFIMNUMKNEU-MVHIGOERSA-N","230404",NA,"PDBC04205","25303","Present"
-"(2R,3R)-2,3-Diphenyl-6,10-bis[(2-propan-2-ylphenyl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-one","","","","","","","","","","","","","","","","","","","","(2r,3r)-6,10-Bis[(2-isopropylphenyl)sulfanyl]-2,3-diphenyl-1,4-dioxaspiro[4.5]decan-8-one","","CC(C)C1=CC=CC=C1SC2CC(=O)CC(C23OC(C(O3)C4=CC=CC=C4)C5=CC=CC=C5)SC6=CC=CC=C6C(C)C","VNWOYHREHMRWSZ-YNPPORQASA-N","397603",NA,"PDBC04206","705944","Present"
-"(2R,3R)-2-Amino-3-chloropentanedioic acid","","","","","","","","","","","","","","","","","","","","l-threo-.beta.-Chloroglutamic acid","","C(C(C(C(=O)O)N)Cl)C(=O)O","QAAAJCNONHZRTG-FONMRSAGSA-N","6711441",NA,"PDBC04207","627074","Present"
-"(2R,3R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-Ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one","","","","","","","","","","","","","","","","","","","","""""Leptostatin 2"""" 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta...","","CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1C(C=CC(=O)O1)C)O","WWNRMMIDGQJVCO-MAGMZBKSSA-N","11598010",NA,"PDBC04208","736513","Present"
-"(2R,3R)-3-Chloro-2-(phenylmethoxycarbonylamino)pentanedioic acid","","","","","","","","","","","","","","","","","","","","NSC627069","","C1=CC=C(C=C1)COC(=O)NC(C(CC(=O)O)Cl)C(=O)O","XPURLOVLJBMSTI-KOLCDFICSA-N","6711439",NA,"PDBC04209","627069","Present"
-"(2R,3R)-3-[(4R,5S)-2-Oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-2-(phenylmethoxymethyl)cyclobutane-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","(2R,3R)-3-[(4R,5S)-2-Oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-2-(phenylmethoxymethyl)cyclobutane-1-carbaldehyde","","C1C(C(C1N2C(C(OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)COCC5=CC=CC=C5)C=O","WWDKUVWIWGURDS-QAWYLDNLSA-N","400575",NA,"PDBC04210","712698","Present"
-"(2R,3R,10R,11R)-2,3,10,11-Tetracyclohexyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradeca-6,13-diene","","","","","","","","","","","","","","","","","","","","(2R,3R,10R,11R)-2,3,10,11-Tetracyclohexyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradeca-6,13-diene","","C1CCC(CC1)C2C(OC3(O2)C=CC4(C=C3)OC(C(O4)C5CCCCC5)C6CCCCC6)C7CCCCC7","HLACHQWMLAKYRJ-SEVDZJIVSA-N","404473",NA,"PDBC04211","720705","Present"
-"(2R,3R,4S,5E)-5-[(6-Chloropyridazin-3-yl)hydrazinylidene]pentane-1,2,3,4-tetrol","","","","","","","","","","","","","","","","","","","","(2R,3R,4S,5E)-5-[(6-Chloropyridazin-3-yl)hydrazinylidene]pentane-1,2,3,4-tetrol","","C1=CC(=NN=C1NN=CC(C(C(CO)O)O)O)Cl","XWFWRUGPCUVMQT-BPPRACIMSA-N","9572168",NA,"PDBC04212","706195","Present"
-"(2R,3R,4S,5R)-2-(5,6-Dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","benzimidazole, 5,6-dichloro-1-.beta.-d-ribofuranosyl- (8ci)","","C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C3C(C(C(O3)CO)O)O","XHSQDZXAVJRBMX-UHFFFAOYSA-N","3165",NA,"PDBC04213","401575","Present"
-"(2R,3R,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol","","","","","","","","","","","","","","","","","","","","(2R,3R,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol","","COP1(=O)C(C(C(O1)C2=CC=CC=C2)O)(C3=CC=CC=C3)O","QEPMUCMTLZPSSO-DUQZYUJVSA-N","9572207",NA,"PDBC04214","707215","Present"
-"(2R,3R,5S)-2-[(1R,2S)-1-Hydroxy-2-methyl-6-oxoheptyl]-5-[(2R)-2-methyl-5-oxooxolan-2-yl]oxolane-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","(2R,3R,5S)-2-[(1R,2S)-1-Hydroxy-2-methyl-6-oxoheptyl]-5-[(2R)-2-methyl-5-oxooxolan-2-yl]oxolane-3-carboxylic acid","","CC(CCCC(=O)C)C(C1C(CC(O1)C2(CCC(=O)O2)C)C(=O)O)O","UMSORIHRNFLKKX-UYQUXKDSSA-N","392900",NA,"PDBC04215","694078","Present"
-"(2R,3R,5S,7R,9S,17S)-2-Hydroxy-17-methyl-4,8-dioxahexacyclo[10.7.0.02,9.03,5.07,9.013,17]nonadecane-6,16-dione","","","","","","","","","","","","","","","","","","","","10.beta.-Hydroxy-1.beta.,2.beta.,4.beta.,5.beta.diepoxye...","","CC12CCC3C(C1CCC2=O)CCC45C3(C6C(O6)C(=O)C4O5)O","WRJUMUPFNVUKPZ-YDZBUUAESA-N","404217",NA,"PDBC04216","720384","Present"
-"(2R,3R,6R)-6-(2-Hydroxyphenyl)sulfanyl-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-8-one","","","","","","","","","","","","","","","","","","","","(2r,3r,6r)-6-(2-Hydroxyphenyl)sulfanyl-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-8-one","","C1C(C2(C=CC1=O)OC(C(O2)C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=CC=C5O","MVOSDBCIDUUTEH-UBFVSLLYSA-N","397604",NA,"PDBC04217","705945","Present"
-"(2R,3S)-1-(1-Adamantyl)-3-(3-chlorophenyl)-2,3-dihydroxypropan-1-one","","","","","","","","","","","","","","","","","","","","(2r,3s)-1-(1-Adamantyl)-3-(3-chlorophenyl)-2,3-dihydroxy-propan-1-one","","C1C2CC3CC1CC(C2)(C3)C(=O)C(C(C4=CC(=CC=C4)Cl)O)O","VLCUXHGLDBUBFO-FAVSCLIXSA-N","397869",NA,"PDBC04218","706493","Present"
-"(2R,3S)-1-(1-Adamantyl)-3-(4-bromophenyl)-2,3-dihydroxypropan-1-one","","","","","","","","","","","","","","","","","","","","(2r,3s)-1-(1-Adamantyl)-3-(4-bromophenyl)-2,3-dihydroxy-propan-1-one","","C1C2CC3CC1CC(C2)(C3)C(=O)C(C(C4=CC=C(C=C4)Br)O)O","XXLSTAVVVFDHSC-FAVSCLIXSA-N","397870",NA,"PDBC04219","706494","Present"
-"(2R,3S)-2-Amino-3-chloropentanedioic acid","","","","","","","","","","","","","","","","","","","","l-erythro-.beta.-Chloroglutamic acid","","C(C(C(C(=O)O)N)Cl)C(=O)O","QAAAJCNONHZRTG-OKKQSCSOSA-N","6711440",NA,"PDBC04220","627073","Present"
-"(2R,3S)-2-Hydroxy-3-(benzoylamino)-3-[3-(dimethylamino)phenyl]propionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotax-11-en-13alpha-yl ester","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-3-[3-(dimethylamino)phenyl]-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.0","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC(=CC=C5)N(C)C)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","WZCDCLFHIZTMLL-XOVTVWCYSA-N","383474",NA,"PDBC04221","671866","Present"
-"(2R,3S)-2-Hydroxy-3-[4-(dimethylamino)benzoylamino]-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotax-11-en-13alpha-yl ester","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[[4-(dimethylamino)benzoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)N(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","UREKCZIZJLHKBK-XOVTVWCYSA-N","384068",NA,"PDBC04222","673193","Present"
-"(2R,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-Ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one","","","","","","","","","","","","","","","","","","","","?Leptostatin 4? 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta...","","CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1C(C=CC(=O)O1)C)O","WWNRMMIDGQJVCO-ZSQVVOHQSA-N","11670014",NA,"PDBC04223","736870","Present"
-"(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-cyclohexylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5CCCCC5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","GSZKRMXIBMHPPX-MZXODVADSA-N","383476",NA,"PDBC04224","671868","Present"
-"(2R,3S)-5-(1H-Benzimidazol-2-yl)-4-oxo-2-phenylthiolane-3-carbonitrile","","","","","","","","","","","","","","","","","","","","(2r,3s)-5-(1h-Benzimidazol-2-yl)-4-oxo-2-phenyl-tetrahydrothiophene-3-carbonitrile","","C1=CC=C(C=C1)C2C(C(=O)C(S2)C3=NC4=CC=CC=C4N3)C#N","ZZSIAPFVWAHSQZ-UBZWXBNLSA-N","396905",NA,"PDBC04225","704084","Present"
-"(2R,3S,4R,7R)-4-[2-(Furan-3-yl)ethyl]-4-(hydroxymethyl)-3,8,8-trimethyl-1,2,3,5,6,7-hexahydronaphthalene-2,7-diol","","","","","","","","","","","","","","","","","","","","(2R,3S,4R,7R)-4-[2-(Furan-3-yl)ethyl]-4-(hydroxymethyl)-3,8,8-trimethyl-1,2,3,5,6,7-hexahydronaphthalene-2,7-diol","","CC1C(CC2=C(C1(CCC3=COC=C3)CO)CCC(C2(C)C)O)O","ZOJSRVMXMKVRGV-LCPZFUNLSA-N","390645",NA,"PDBC04226","688248","Present"
-"(2R,3S,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol","","","","","","","","","","","","","","","","","","","","(2R,3S,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol","","COP1(=O)C(C(C(O1)C2=CC=CC=C2)O)(C3=CC=CC=C3)O","QEPMUCMTLZPSSO-FENNVDPPSA-N","9572206",NA,"PDBC04227","707214","Present"
-"(2R,4Ar,7R,8aR)-4,4,7-trimethyl-2-[(1R)-1-phenylmethoxyethyl]-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxathiine","","","","","","","","","","","","","","","","","","","","(2r,4Ar,7r,8ar)-2-[(1r)-1-(benzyloxy)ethyl]-4,4,7-trimethylhexahydro-4h-1,3-benzoxathiine","","CC1CCC2C(C1)OC(SC2(C)C)C(C)OCC3=CC=CC=C3","ULRUJYAJIOLCPB-POGZOPGASA-N","396283",NA,"PDBC04228","701980","Present"
-"(2R,4Ar,7R,8aR)-4,4,7-trimethyl-2-[(1S)-1-phenylmethoxyethyl]-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxathiine","","","","","","","","","","","","","","","","","","","","(2R,4Ar,7R,8aR)-4,4,7-trimethyl-2-[(1S)-1-phenylmethoxyethyl]-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxathiine","","CC1CCC2C(C1)OC(SC2(C)C)C(C)OCC3=CC=CC=C3","ULRUJYAJIOLCPB-CSFFLVESSA-N","396282",NA,"PDBC04229","701981","Present"
-"(2R,4Ar,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol","","","","","","","","","","","","","","","","","","","","(2R,4Ar,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol","","CC(=CCC1C2(CCC(C(C2CCC1(C)O)(C)C)O)C)C=C","VAYVUHXFSZQOQZ-JBAJEZBHSA-N","5469433",NA,"PDBC04230","687960","Present"
-"(2R,4R)-2,6,6-Trimethyl-4-pentadecyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide","","","","","","","","","","","","","","","","","","","","(2R,4R)-2,6,6-Trimethyl-4-pentadecyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide","","CCCCCCCCCCCCCCCC1C[N+](CCOP(=O)(O1)C)(C)C.[Br-]","JMQIBMOTGMRNKZ-OHHMFLEWSA-M","9572011",NA,"PDBC04231","688027","Present"
-"(2R,4S)-3,4-O-Diacetyl-3,4-dihydroxy-2-(p-methoxybenzyl)-pyrrolidine hydrochloride","","","","","","","","","","","","","","","","","","","","(2R,3S,4S)-3,4-O-Diacetyl-3,4-dihydroxy-2-(p-methoxybenz...","","CC(=O)OC1CNC(C1OC(=O)C)CC2=CC=C(C=C2)OC.Cl","FLHFNFSZRQPOEQ-BZSDZJHCSA-N","397720",NA,"PDBC04232","706126","Present"
-"(2R,4S,6R)-2-[[(4S,6R)-6-(Bromomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-(2-phenylmethoxyethyl)oxan-4-ol","","","","","","","","","","","","","","","","","","","","(2R,4S,6R)-2-[[(4S,6R)-6-(Bromomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-(2-phenylmethoxyethyl)oxan-4-ol","","CC1(OC(CC(O1)CBr)CC2CC(CC(O2)CCOCC3=CC=CC=C3)O)C","MTJUATBEVJNFLW-XIYVOTBMSA-N","396369",NA,"PDBC04233","702312","Present"
-"(2R,5-Diol)","","","","","","","","","","","","","","","","","","","","(2R,5R)-2-palmitoylamido-(3E)-octadecen-1,5-diol)","","CCCCCCCCCCCCCCCC(=O)NC(CO)C=CC(CCCCCCCCCCCCC)O","IGYXOUPDSVKAOE-YPJDGMCUSA-N","54612643",NA,"PDBC04234","726458","Present"
-"(2R,5R,1'S)-5-Benzyloxy-4-(2-methylpropyl)-2-oxo-N-(1'-phenylethyl)-1,2,3-oxathiazinan","","","","","","","","","","","","","","","","","","","","(2R,4S,5R,1'S)-5-Benzyloxy-4-(2-methylpropyl)-2-oxo-N-(1...","","CC(C)CC1C(COS(=O)N1C(C)C2=CC=CC=C2)OCC3=CC=CC=C3","LYVCRTOMABRGLI-MEAJBNMQSA-N","392658",NA,"PDBC04235","693237","Present"
-"(2R,5R,6R)-6-Methyl-5-(6-methylheptan-2-yl)-1,11-diazatetracyclo[8.7.0.02,6.012,17]heptadeca-10,12,14,16-tetraene","","","","","","","","","","","","","","","","","","","","(2R,5R,6R)-6-Methyl-5-(6-methylheptan-2-yl)-1,11-diazatetracyclo[8.7.0.02,6.012,17]heptadeca-10,12,14,16-tetraene","","CC(C)CCCC(C)C1CCC2C1(CCCC3=NC4=CC=CC=C4N23)C","DJCDFKDZUBBRSO-XUGLEDAESA-N","403829",NA,"PDBC04236","719363","Present"
-"(2R,5R,6R)-6-Methyl-5-(6-methylheptan-2-yl)-13-phenyl-1,11,12-triazatricyclo[8.3.0.02,6]trideca-10,12-diene","","","","","","","","","","","","","","","","","","","","(2R,5R,6R)-6-Methyl-5-(6-methylheptan-2-yl)-13-phenyl-1,11,12-triazatricyclo[8.3.0.02,6]trideca-10,12-diene","","CC(C)CCCC(C)C1CCC2C1(CCCC3=NN=C(N23)C4=CC=CC=C4)C","MVNRLLFNEVJWNW-DSANBWLUSA-N","403832",NA,"PDBC04237","719366","Present"
-"(2R,6R)-11-Bromo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione","","","","","","","","","","","","","","","","","","","","(2R,6R)-11-Bromo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione","","C1=C2C(=C(S1)Br)C3C(C2=O)OC(=O)N3","BYEXGAYMVDZOHW-INEUFUBQSA-N","400217",NA,"PDBC04238","711735","Present"
-"(2R,6R)-9,11-Dibromo-10-thia-3,5-diazatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione","","","","","","","","","","","","","","","","","","","","(2R,6R)-9,11-Dibromo-10-thia-3,5-diazatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione","","C12C(C(=O)C3=C(SC(=C31)Br)Br)NC(=O)N2","KOESKBCJGMORCR-QWWZWVQMSA-N","400215",NA,"PDBC04239","711733","Present"
-"(2R,6R)-9,11-Dibromo-3-oxa-10-thia-5-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione","","","","","","","","","","","","","","","","","","","","(2R,6R)-9,11-Dibromo-3-oxa-10-thia-5-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione","","C12C(C3=C(SC(=C3C1=O)Br)Br)OC(=O)N2","QTMOAZOFQWGGSA-WVZVXSGGSA-N","399280",NA,"PDBC04240","709969","Present"
-"(2R,6R)-9,11-Dibromo-4-sulfanylidene-3-oxa-10-thia-5-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-7-one","","","","","","","","","","","","","","","","","","","","7H-Thieno[3',4':3,4]cyclopent[1,2-d]oxazol-7-one, 4,6-di...","","C12C(C3=C(SC(=C3C1=O)Br)Br)OC(=S)N2","UISCDXVFACZDIU-WVZVXSGGSA-N","5471246",NA,"PDBC04241","709971","Present"
-"(2R,6R)-9,11-Dibromo-4-sulfanylidene-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-7-one","","","","","","","","","","","","","","","","","","","","(2R,6R)-9,11-Dibromo-4-sulfanylidene-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-7-one","","C12C(C(=O)C3=C(SC(=C31)Br)Br)OC(=S)N2","QDHFASGVDRQOFS-NQXXGFSBSA-N","5471245",NA,"PDBC04242","709970","Present"
-"(2R,6S,8R,12S)-4,10-Diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone","","","","","","","","","","","","","","","","","","","","(2R,6S,8R,12S)-4,10-Diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone","","C1=CC2C3C(C1C4C2C(=O)NC4=O)C(=O)NC3=O","QTZADOOBSBOMLI-MRQPTWQJSA-N","339504",NA,"PDBC04243","366369","Present"
-"(2S)-(+)-Glycidyl tosylate","","","","","","","","","","","","","","","","","","","","(2S)-(+)-Glycidyl tosylate","","CC1=CC=C(C=C1)S(=O)(=O)OCC2CO2","NOQXXYIGRPAZJC-VIFPVBQESA-N","153296",NA,"PDBC04244","636971","Present"
-"(2S)-1-(4-Tert-butylphenyl)sulfonyl-5-[3-[(5S)-1-(4-tert-butylphenyl)sulfonyl-5-carboxypyrrolidin-2-yl]phenyl]pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","(2S)-1-(4-Tert-butylphenyl)sulfonyl-5-[3-[(5S)-1-(4-tert-butylphenyl)sulfonyl-5-carboxypyrrolidin-2-yl]phenyl]pyrrolidine-2-carboxylic acid","","CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C(=O)O)C3=CC(=CC=C3)C4CCC(N4S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C)C(=O)O","FHIHOXXPICFDHS-FBVYBBNNSA-N","401980",NA,"PDBC04245","715669","Present"
-"(2S)-1-(alpha-Methylbenzyloxy)-2alpha,5beta-diphenyl-2,5-dimethylpyrrolidine","","","","","","","","","","","","","","","","","","","","(2S,5S)-2,5-Dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine","","CC(C1=CC=CC=C1)ON2C(CCC2(C)C3=CC=CC=C3)(C)C4=CC=CC=C4","INQXAJZMLNZJKF-RMFXBNNXSA-N","6712808",NA,"PDBC04246","714200","Present"
-"(2S)-1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","(2S)-1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid","","COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCCCC5C(=O)O)OCO4","ZYUSPOJDSQTADH-FQEVSTJZSA-N","24205343",NA,"PDBC04247","735207","Present"
-"(2S)-1-[(2-Phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","(2S)-1-[(2-Phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid","","C1CCN(C(C1)C(=O)O)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6","BDDNZLVIKIKTNJ-SANMLTNESA-N","24205345",NA,"PDBC04248","735209","Present"
-"(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]propanoyl]-N-[(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]propanoyl]-N-[(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-c","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C)C(=O)N1CCCC1C(=O)NCC2=C(C=C(C=C2)OC)OC)NC(=O)C(C(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4","IGMWBEZAKYOYEJ-BTAISYOBSA-N","397362",NA,"PDBC04249","704972","Present"
-"(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-ca","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC3=CC(=C(C=C3)OC)OC)NC(=O)C(C(C)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5","NGCXRJSQAWKLDM-AVLBDWFCSA-N","397355",NA,"PDBC04250","704965","Present"
-"(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrroli","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)NC(=O)C(C(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4","JQBPYGLCDHSEEV-DRBWZFHRSA-N","5470782",NA,"PDBC04251","704969","Present"
-"(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrrolidine-","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4","LOJKHESIOIDGES-JEHWFKLGSA-N","397357",NA,"PDBC04252","704967","Present"
-"(2S)-1-[(2S)-3-Benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","(2S)-1-[(2S)-3-Benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid","","CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(CC3=CC=CC=C32)C(=O)O","YTQUHORAJYMUKY-DYVFJYSZSA-N","5351342",NA,"PDBC04253","604535","Present"
-"(2S)-1-[Bis(1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Proline, 1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxo-","","C1CC(=O)N(C1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5","YIVPUSMJOZJIRH-ZDUSSCGKSA-N","384215",NA,"PDBC04254","673620","Present"
-"(2S)-2,6-Diamino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","(2S)-2,6-Diamino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride","","CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C(CCCCN)N.Cl","CHXMYMRBHHYBQG-RSAXXLAASA-N","396808",NA,"PDBC04255","703783","Present"
-"(2S)-2,6-Diamino-N-[4-(1,3-benzothiazol-2-yl)phenyl]hexanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","(2S)-2,6-Diamino-N-[4-(1,3-benzothiazol-2-yl)phenyl]hexanamide;hydrochloride","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(CCCCN)N.Cl","GORSODYPBKSSFY-RSAXXLAASA-N","396806",NA,"PDBC04256","703782","Present"
-"(2S)-2,6-Diamino-N-[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","Hexanamide, 2,6-diamino-N-[2-methyl-4-(5-fluoro-2-benzo ...","","CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)NC(=O)C(CCCCN)N.Cl","GHGASIKBHQCYKZ-RSAXXLAASA-N","399464",NA,"PDBC04257","710305","Present"
-"(2S)-2-(3-Aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","NSC772254///NSC772255","","CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC","LLXISKGBWFTGEI-UHFFFAOYSA-N","46189839",NA,"PDBC04258","772254///772255","Present"
-"(2S)-2-(Carbazole-9-carbonylamino)propanoic acid","","","","","","","","","","","","","","","","","","","","NSC649031","","CC(C(=O)O)NC(=O)N1C2=CC=CC=C2C3=CC=CC=C31","OQAXDYJOGFJALA-JTQLQIEISA-N","5467240",NA,"PDBC04259","649031","Present"
-"(2S)-2-(Diethylcarbamoylamino)-N,4-dimethylpentanamide","","","","","","","","","","","","","","","","","","","","NSC694853","","CCN(CC)C(=O)NC(CC(C)C)C(=O)NC","UACOYYWEUSBXRP-JTQLQIEISA-N","393226",NA,"PDBC04260","694853","Present"
-"(2S)-2-(Diethylcarbamoylamino)-N-methyl-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","NSC694854","","CCN(CC)C(=O)NC(CC1=CC=CC=C1)C(=O)NC","QFZLGOJXZRXGAX-ZDUSSCGKSA-N","393227",NA,"PDBC04261","694854","Present"
-"(2S)-2-Acetamido-3-(5-hydroxypyridin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Acetamido-3-(5-hydroxypyridin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide","","CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC=CC=C2OC","YWPKDQOCAMCDCF-INIZCTEOSA-N","398144",NA,"PDBC04262","707571","Present"
-"(2S)-2-Acetamido-3-(5-hydroxypyridin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Acetamido-3-(5-hydroxypyridin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide","","CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC=C(C=C2)OC","BQLHNDBMJYQPHS-KRWDZBQOSA-N","398142",NA,"PDBC04263","707569","Present"
-"(2S)-2-Acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-hydroxypyridin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-hydroxypyridin-2-yl)propanamide","","CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC3=C(C=C2)OCO3","KTJYOWBDKSXNED-HNNXBMFYSA-N","398139",NA,"PDBC04264","707566","Present"
-"(2S)-2-Acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide","","CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC(=C(C=C2)OC)OC","UABNPXWSUKWVQX-INIZCTEOSA-N","398140",NA,"PDBC04265","707567","Present"
-"(2S)-2-Acetamido-N-[(3,5-dimethoxyphenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Acetamido-N-[(3,5-dimethoxyphenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide","","CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC(=CC(=C2)OC)OC","XAMCBKGDBSQAJC-SFHVURJKSA-N","398145",NA,"PDBC04266","707572","Present"
-"(2S)-2-Acetamido-N-[(3-chlorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Acetamido-N-[(3-chlorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide","","CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC(=CC=C2)Cl","AWHOJAPVQRXIFY-INIZCTEOSA-N","398141",NA,"PDBC04267","707568","Present"
-"(2S)-2-Acetamido-N-[(3-fluorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Acetamido-N-[(3-fluorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide","","CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC(=CC=C2)F","BBGVBQQNZWJFJL-INIZCTEOSA-N","398143",NA,"PDBC04268","707570","Present"
-"(2S)-2-Acetamido-N-[(4-chlorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Acetamido-N-[(4-chlorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide","","CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC=C(C=C2)Cl","CBUWEDXPRGHSPW-INIZCTEOSA-N","398138",NA,"PDBC04269","707565","Present"
-"(2S)-2-Acetamido-N-cyclohexyl-3-(5-hydroxypyridin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Acetamido-N-cyclohexyl-3-(5-hydroxypyridin-2-yl)propanamide","","CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NC2CCCCC2","WZOZIHCQAMTOEF-HNNXBMFYSA-N","398137",NA,"PDBC04270","707564","Present"
-"(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]propanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]propanamide;hydrochloride","","CC(C(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Cl)N.Cl","UJGQFFBTGMERIK-FVGYRXGTSA-N","5470638",NA,"PDBC04271","703779","Present"
-"(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride","","CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C(C)N.Cl","YOXAXSQGEONROX-MERQFXBCSA-N","396804",NA,"PDBC04272","703781","Present"
-"(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide;hydrochloride","","CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N.Cl","RAEOYAWCDHBJFA-PPHPATTJSA-N","5470640",NA,"PDBC04273","703780","Present"
-"(2S)-2-Amino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","(2S)-2-Amino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride","","CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)NC(=O)C(C)N.Cl","IBPMBMPCCBMOEJ-PPHPATTJSA-N","54611546",NA,"PDBC04274","709924","Present"
-"(2S)-2-Hydroxy-2-(2-phenyl-2-propenyl)-3-oxo-5-(4-chlorophenyl)-4-pentenoic acid methyl ester","","","","","","","","","","","","","","","","","","","","(S,E)-methyl 5-(4-chlorophenyl)-2-hydroxy -3-oxo-2-(2-ph...","","COC(=O)C(CC(=C)C1=CC=CC=C1)(C(=O)C=CC2=CC=C(C=C2)Cl)O","AKBKOLFCKLWLEW-BGVYSJOJSA-N","102142403",NA,"PDBC04275","781411","Present"
-"(2S)-2-Hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(1-methylindol-3-yl)-2-[(2S)-2,3,4-trihydroxyoxolan-2-yl]propanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(1-methylindol-3-yl)-2-[(2S)-2,3,4-trihydroxyoxolan-2-yl]propanamide","","CN1C=C(C2=CC=CC=C21)CC(C(=O)NCCC3=CNC4=C3C=C(C=C4)OC)(C5(C(C(CO5)O)O)O)O","MVDWOYKWVHMCGC-ZGSTZISKSA-N","6711954",NA,"PDBC04276","649058","Present"
-"(2S)-2-Nitramidopropanamide","","","","","","","","","","","","","","","","","","","","NSC630147","","CC(C(=O)N)N[N+](=O)[O-]","XEDBNFGESPJTJH-REOHCLBHSA-N","6711517",NA,"PDBC04277","630147","Present"
-"(2S)-2-Phenyl-2-(1-pyridin-2-ylbut-3-enylamino)ethanol","","","","","","","","","","","","","","","","","","","","(2S)-2-Phenyl-2-(1-pyridin-2-ylbut-3-enylamino)ethanol","","C=CCC(C1=CC=CC=N1)NC(CO)C2=CC=CC=C2","WXWUNEJPRKGNKM-ZYMOGRSISA-N","24205353",NA,"PDBC04278","735302","Present"
-"(2S)-2-Phenyl-2-(1-quinolin-2-ylbut-3-enylamino)ethanol","","","","","","","","","","","","","","","","","","","","(2S)-2-Phenyl-2-(1-quinolin-2-ylbut-3-enylamino)ethanol","","C=CCC(C1=NC2=CC=CC=C2C=C1)NC(CO)C3=CC=CC=C3","LOTCPSFNWDPBBI-VGAJERRHSA-N","24205355",NA,"PDBC04279","735304","Present"
-"(2S)-2-Phenylsulfanylcyclopentan-1-ol","","","","","","","","","","","","","","","","","","","","NSC625050","","C1CC(C(C1)SC2=CC=CC=C2)O","JIAWDQCLDCXYTK-DTIOYNMSSA-N","361783",NA,"PDBC04280","625050","Present"
-"(2S)-2-[(2R,3S)-2-[(E)-2-(3-Bromophenyl)ethenyl]-4-oxo-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-(4-cyclopentylpiperazin-1-yl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide","","","","","","","","","","","","","","","","","","","","(S)-2-((2R,3S)-2-((E)-3-bromostyryl)-3-((S)-4-isopropyl-...","","CC(C)C1COC(=O)N1C2C(N(C2=O)C(CCC(=O)N3CCN(CC3)C4CCCC4)C(=O)NC5CCCC6=CC=CC=C56)C=CC7=CC(=CC=C7)Br","SZLYDSMDVSEFDL-WOHTWVJZSA-N","155808675",NA,"PDBC04281","782883","Present"
-"(2S)-2-[(4-Benzamidophenyl)sulfonylamino]propanoic acid","","","","","","","","","","","","","","","","","","","","NSC627214","","CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","XFZWVVHQYZGKPH-NSHDSACASA-N","6711448",NA,"PDBC04282","627214","Present"
-"(2S)-2-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-(triethylsilyloxymethyl)-3H-pyran-6-one","","","","","","","","","","","","","","","","","","","","6-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-6-triethylsilanyloxy...","","CC[Si](CC)(CC)OCC1(CC=CC(=O)O1)C2COC(O2)(C)C","BKKIIDWNWLFUNR-YOEHRIQHSA-N","406740",NA,"PDBC04283","725020","Present"
-"(2S)-2-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-(trityloxymethyl)-3H-pyran-6-one","","","","","","","","","","","","","","","","","","","","(6s)-6-[(4s)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-[(trityloxy)methyl]-5,6-dihydro-2h-pyran-2-one","","CC1(OCC(O1)C2(CC=CC(=O)O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C","PXFZTTVSWRZZFT-WNJJXGMVSA-N","403294",NA,"PDBC04284","718000","Present"
-"(2S)-2-[(Benzyloxy)methoxy]propan-1-ol","","","","","","","","","","","","","","","","","","","","BJFTYJDLXIBFGW-JTQLQIEISA-N","","CC(CO)OCOCC1=CC=CC=C1","BJFTYJDLXIBFGW-JTQLQIEISA-N","6711346",NA,"PDBC04285","620574","Present"
-"(2S)-2-[1-[1-(4-Methylphenyl)sulfonylindol-3-yl]but-3-enylamino]-2-phenylethanol","","","","","","","","","","","","","","","","","","","","(2S)-2-[1-[1-(4-Methylphenyl)sulfonylindol-3-yl]but-3-enylamino]-2-phenylethanol","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(CC=C)NC(CO)C4=CC=CC=C4","UCHUFZZTDAHJQQ-FXDYGKIASA-N","24204669",NA,"PDBC04286","732429","Present"
-"(2S)-2-[1-[1-[(2S)-2-Hydroxypropanoyl]pyrrolidin-2-yl]-1-oxopropan-2-yl]-N-[(4S,5R,8S,11S,17S,20S,22S)-29-methoxy-8-[(4-methoxyphenyl)methyl]-5,9,20-trimethyl-17-(2-methylpropyl)-3,7,10,16,19,21,24-heptaoxo-22-propan-2-yl-6,23-dioxa-2,9,15,18-tetrazatricyclo[23.3.1.011,15]nonacosa-1(28),25(29),26-trien-4-yl]-4-methylpentanamide","","","","","","","","","","","","","","","","","","","","(2S)-2-[1-[1-[(2S)-2-Hydroxypropanoyl]pyrrolidin-2-yl]-1-oxopropan-2-yl]-N-[(4S,5R,8S,11S,17S,20S,22S)-29-methoxy-8-[(4-methoxyphenyl)methyl]-5,9,20-trimethyl-17-(2-methylpropyl)-3,7,10,16,19,21,24-he","","CC1C(C(=O)NC2=CC=CC(=C2OC)C(=O)OC(C(=O)C(C(=O)NC(C(=O)N3CCCC3C(=O)N(C(C(=O)O1)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)NC(=O)C(CC(C)C)C(C)C(=O)C5CCCN5C(=O)C(C)O","XHMBJYWSAQWKED-ZRHRTSRVSA-N","384479",NA,"PDBC04287","674283","Present"
-"(2S)-2-[2,2-Bis(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(2S)-2-[2,2-Bis(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)-1,3-thiazolidin-4-one","","C1C(=O)NC(S1)(CC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","SQWHKDIMHIMGKT-QHCPKHFHSA-N","402438",NA,"PDBC04288","716408","Present"
-"(2S)-2-[2-(2-Furyl)-3-[(E)-1-formyl-2-(2-furyl)ethenyl]-4-oxo-5-[(E)-(2-furyl)methylene]-2-pyrroline-1-yl]propionic acid","","","","","","","","","","","","","","","","","","","","(2S)-2-[(5E)-2-(Furan-2-yl)-5-(furan-2-ylmethylidene)-3-[(E)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-oxopyrrol-1-yl]propanoic acid","","CC(C(=O)O)N1C(=CC2=CC=CO2)C(=O)C(=C1C3=CC=CO3)C(=CC4=CC=CO4)C=O","WKLHCENPFNYZSQ-SINHFACSSA-N","5471005",NA,"PDBC04289","707100","Present"
-"(2S)-2-[[(2R)-2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","(2S)-2-[[(2R)-2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid","","CC(C)C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O","DIDWHPRQEHTHEO-RCPFAERMSA-N","390387",NA,"PDBC04290","687743","Present"
-"(2S)-2-[[4-[[6-(Ureidocarbonyl)-2-pyridinyl]methylamino]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","(2s)-2-[[4-[(6-Allophanoyl-2-pyridyl)methylamino]benzoyl]amino]pentanedioic acid","","C1=CC(=NC(=C1)C(=O)NC(=O)N)CNC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O","POYZJQVSNARVFS-HNNXBMFYSA-N","396927",NA,"PDBC04291","704108","Present"
-"(2S)-2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3H-pyran-6-one","","","","","","","","","","","","","","","","","","","","6-(tert-Butyl-dimethyl-silanyloxymethyl)-6-(2,2-dimethyl...","","CC1(OCC(O1)C2(CC=CC(=O)O2)CO[Si](C)(C)C(C)(C)C)C","KBKQNEYWWZFIAS-GUYCJALGSA-N","406739",NA,"PDBC04292","725019","Present"
-"(2S)-2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3H-pyran-6-one","","","","","","","","","","","","","","","","","","","","6-(tert-Butyl-diphenyl-silanyloxymethyl)-6-(2,2-dimethyl...","","CC1(OCC(O1)C2(CC=CC(=O)O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C","CKLSONDRMXDWPP-HOFKKMOUSA-N","406737",NA,"PDBC04293","725017","Present"
-"(2S)-2alpha-(3,4-Dihydroxyphenyl)-3beta-(methoxycarbonyl)-7-hydroxy-2,3-dihydrobenzofuran-5-acrylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Benzofuran-3-carboxylic acid, 2,3-dihydro-7-hydroxy- 2-(...","","COC(=O)C=CC1=CC2=C(C(=C1)O)OC(C2C(=O)OC)C3=CC(=C(C=C3)O)O","HDONJQIYHGHIJV-KCILRPRFSA-N","5468717",NA,"PDBC04294","675003","Present"
-"(2S)-2beta-Methyl-4beta-tert-butylcyclohexanone tosyl hydrazone","","","","","","","","","","","","","","","","","","","","Benzenesulfonic acid, 4-methyl-, 2-[4-(1,1-dimethylethyl...","","CC1CC(CCC1=NNS(=O)(=O)C2=CC=C(C=C2)C)C(C)(C)C","CTEFDTSRFYPZRD-PFANNTFUSA-N","54608769",NA,"PDBC04295","673921","Present"
-"(2S)-3-(1H-Imidazol-5-yl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid","","","","","","","","","","","","","","","","","","","","(2s)-3-(3h-Imidazol-4-yl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CN=CN2)C(=O)O","HRSVCBJRJSATAN-LBPRGKRZSA-N","396498",NA,"PDBC04296","702682","Present"
-"(2S)-4-Ethoxy-3H-1,2lambda4,3-benzodithiazole 2-oxide","","","","","","","","","","","","","","","","","","","","(2S)-4-Ethoxy-3H-1,2lambda4,3-benzodithiazole 2-oxide","","CCOC1=C2C(=CC=C1)SS(=O)N2","HPIAUOFSSALFCB-ZDUSSCGKSA-N","359163",NA,"PDBC04297","619843","Present"
-"(2S)-4-Methoxy-3H-1,2lambda4,3-benzodithiazole 2-oxide","","","","","","","","","","","","","","","","","","","","(2S)-4-Methoxy-3H-1,2lambda4,3-benzodithiazole 2-oxide","","COC1=C2C(=CC=C1)SS(=O)N2","JCONJIVRPRWHFC-LBPRGKRZSA-N","359161",NA,"PDBC04298","619841","Present"
-"(2S)-4-[(13R)-13-Hydroxy-13-[(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","(2S)-4-[(13R)-13-Hydroxy-13-[(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one","","CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(=O)CCCCCCCC2=CC(OC2=O)C)O)O","RVFWPTBBKKTQCR-ALGQHUMSSA-N","390523",NA,"PDBC04299","687964","Present"
-"(2S)-4-[(13S)-13-Hydroxy-13-[(5R)-5-[(5R)-5-[(1S)-1,5,10-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","(2S)-4-[(13S)-13-Hydroxy-13-[(5R)-5-[(5R)-5-[(1S)-1,5,10-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one","","CC1C=C(C(=O)O1)CCCCCCCCCCCCC(C2CCC(O2)C3CCC(O3)C(CCCC(CCCCC(C)O)O)O)O","NHLVTOZHHUKGNO-BMOUAGQVSA-N","6712448",NA,"PDBC04300","687963","Present"
-"(2S)-4-[10-Hydroxy-14-[2-(2-tridecoxyethoxy)ethoxy]tetradecyl]-2-methyl-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","(5s)-3-[10-Hydroxy-14-[2-(2-tridecoxyethoxy)ethoxy]tetradecyl]-5-methyl-5h-furan-2-one","","CCCCCCCCCCCCCOCCOCCOCCCCC(CCCCCCCCCC1=CC(OC1=O)C)O","GUXUSBYLQOEZCM-ITLBEBSESA-N","390524",NA,"PDBC04301","687965","Present"
-"(2S)-5-(4-Cyclohexylpiperazin-1-yl)-5-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide","","","","","","","","","","","","","","","","","","","","(S)-5-(4-cyclohexylpiperazin-1-yl)-5-oxo-2-((3S,4R)-2-ox...","","C1CCC(CC1)N2CCN(CC2)C(=O)CCC(C(=O)NC3CCCC4=CC=CC=C34)N5C(C(C5=O)N6C(COC6=O)C7=CC=CC=C7)C=CC8=CC=CC=C8","MSQFYXQUXBEVRF-NFSWBMIBSA-N","11621869",NA,"PDBC04302","782569","Present"
-"(2S)-6-Isothiocyanato-6-methyl-2-(4-methylcyclohex-3-en-1-yl)heptan-2-ol","","","","","","","","","","","","","","","","","","","","(2S)-6-Isothiocyanato-6-methyl-2-(4-methylcyclohex-3-en-1-yl)heptan-2-ol","","CC1=CCC(CC1)C(C)(CCCC(C)(C)N=C=S)O","RDVYKDOKGQHWOJ-WMCAAGNKSA-N","384834",NA,"PDBC04303","675351","Present"
-"(2S)-6-Methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-amine","","","","","","","","","","","","","","","","","","","","(2S)-6-Methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-amine","","CCC(C=CCCC1(OCCO1)CC(CCC=C(C)C)N)O[Si](C(C)C)(C(C)C)C(C)C","QPNVNZDCMTXOQM-FSCWYTIRSA-N","5471934",NA,"PDBC04304","715463","Present"
-"(2S)-N'-(1-Benzylpiperidin-4-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]butanediamide","","","","","","","","","","","","","","","","","","","","2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]-...","","C1CN(CCC1NC(=O)CC(C(=O)NCC2=CC(=CC=C2)C(F)(F)F)N3C(C(C3=O)N4C(COC4=O)C5=CC=CC=C5)C=CC6=CC=CC=C6)CC7=CC=CC=C7","GMZITOMLSFONNF-XFKFVYQCSA-N","155816355",NA,"PDBC04305","782885","Present"
-"(2S)-N-(Methoxycarbonyl)-N-[(R)-1-butyl-3-phenylpropyl]-2alpha-(methoxymethyl)pyrrolidine-1-amine","","","","","","","","","","","","","","","","","","","","Methyl N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(3R)-1-phenylheptan-3-yl]carbamate","","CCCCC(CCC1=CC=CC=C1)N(C(=O)OC)N2CCCC2COC","CHKGCDMGPPZZAL-UXHICEINSA-N","6711330",NA,"PDBC04306","619210","Present"
-"(2S)-N-[(2R)-1-(1,3-Benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","(2S)-N-[(2R)-1-(1,3-Benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolid","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)C(C(C)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5","LHAMVGHPJUENKS-GRUPRJISSA-N","397360",NA,"PDBC04307","704970","Present"
-"(2S)-N-[(2R)-1-[(2,4-Dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","(2S)-N-[(2R)-1-[(2,4-Dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]butanoyl]amino]butanoyl]pyrroli","","CCCCCCCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)NCC2=C(C=C(C=C2)OC)OC","LHCKSKUDHKMEQN-DYYMYWGBSA-N","397361",NA,"PDBC04308","704971","Present"
-"(2S)-N-[(2R)-1-[(4-Chlorophenyl)methylamino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","(2S)-N-[(2R)-1-[(4-Chlorophenyl)methylamino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolidine-","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)NCC2=CC=C(C=C2)Cl)NC(=O)C(C(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4","VKUJTODWPXPLNE-JEHWFKLGSA-N","397358",NA,"PDBC04309","704968","Present"
-"(2S)-N-[(2S)-1-[2-(5-Methoxy-1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide","","","","","","","","","","","","","","","","","","","","(2S)-N-[(2S)-1-[2-(5-Methoxy-1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide","","CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC)NCC(F)(F)F","ADYDKTLWARMKIO-ZEQRLZLVSA-N","403672",NA,"PDBC04310","718800","Present"
-"(2S)-N-[(2S)-3-(4-Hydroxyphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide","","","","","","","","","","","","","","","","","","","","(2S)-N-[(2S)-3-(4-Hydroxyphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide","","CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC)NCC(F)(F)F","RXERRAZTNYNWFT-ZEQRLZLVSA-N","403673",NA,"PDBC04311","718801","Present"
-"(2S)-N-[(2S)-5-Amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-[[(2R)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide","","","","","","","","","","","","","","","","","","","","(2S)-N-[(2S)-5-Amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylprop","","CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C6CCCN6C(=O)C(CCCCN)N","UEYCNOREWRHDGX-ODHDWLPVSA-N","6711298",NA,"PDBC04312","615832","Present"
-"(2S,10S)-2,6,6,13-Tetramethyltetracyclo[11.2.1.01,10.02,7]hexadecan-12-ol","","","","","","","","","","","","","","","","","","","","(6As,11bS)-4,4,9,11b-tetramethyltetradecahydro-9,11a-methanocyclohepta[a]naphthalen-8-ol","","CC1(CCCC2(C1CCC3C24CCC(C4)(C(C3)O)C)C)C","REGKTWSAENSCPF-ULDHTTRGSA-N","371617",NA,"PDBC04313","646015","Present"
-"(2S,2Ar,3R,5aR,6R,9S,9aS,9bS,12R)-Decahydro-12-hydroperoxy-3,6,9-trimethyl-13-methylene-7-oxo-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-ylbutanoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4R,7R,8R,11S,14R,17S)-14-Hydroperoxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate","","CCCC(=O)OC1(CCC2C(C(=O)OC3(CCC(C(=C)CC4C1C2C3O4)OO)C)C)C","MRBZRDGTPZIYOC-IUROXWAKSA-N","11037490",NA,"PDBC04314","737078","Present"
-"(2S,2Ar,3R,5aR,6R,9S,9aS,9bS,12R,13R)-Decahydro-13-hydroxy-12-methoxy-3,6,9,13-tetramethyl-7-oxo-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-ylbutanoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4R,7R,8R,11S,14R,15R,17S)-15-Hydroxy-14-methoxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate","","CCCC(=O)OC1(CCC2C(C(=O)OC3(CCC(C(CC4C1C2C3O4)(C)O)OC)C)C)C","IPJWOGNRRLDDDL-QMPJCHAXSA-N","11015858",NA,"PDBC04315","737077","Present"
-"(2S,3As,4S,5R,6S)-4-(3,4-Dimethoxybenzyl)-2-(1,3-dioxolan-2-yl)-6-[(2,2-diphenylcyclopentyl)oxy]-4-ethylhexahydroisoxazolo[2,3-b][1,2]oxazin-5-yl acetate","","","","","","","","","","","","","","","","","","","","[(2S,3As,4S,5R,6S)-4-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dioxolan-2-yl)-6-(2,2-diphenylcyclopentyl)oxy-4-ethyl-3,3a,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazin-5-yl] acetate","","CCC1(C2CC(ON2OC(C1OC(=O)C)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5)C6OCCO6)CC7=CC(=C(C=C7)OC)OC","ZIQQUOOWXXJFHZ-XSWBJFJKSA-N","395292",NA,"PDBC04316","699773","Present"
-"(2S,3R)-2-(p-Tolylsulfonylamino)-3-methyl-4-pentenoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","(2S,3R)-2-(p-Tolylsulfonylamino)-3-methyl-4-pentenoic acid ethyl ester","","CCOC(=O)C(C(C)C=C)NS(=O)(=O)C1=CC=C(C=C1)C","CXHSCSDHZSXSPA-OCCSQVGLSA-N","403300",NA,"PDBC04317","718006","Present"
-"(2S,3R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-Ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one","","","","","","","","","","","","","","","","","","","","""""Leptostatin 3"""" 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta...","","CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1C(C=CC(=O)O1)C)O","WWNRMMIDGQJVCO-IALAMJLLSA-N","11655781",NA,"PDBC04318","736784","Present"
-"(2S,3R)-3-Amino-2-hydroxy-4-(4-nitrophenyl)butanoyl-L-leucine hydrochloride","","","","","","","","","","","","","","","","","","","","(2S,3R)-3-Amino-2-hydroxy-4-(4-nitrophenyl)butanoyl-L-le...","","CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=C(C=C1)[N+](=O)[O-])N)O.Cl","CSTSIZFZZXWOTL-UDYGKFQRSA-N","24203255",NA,"PDBC04319","727372","Present"
-"(2S,3R,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol","","","","","","","","","","","","","","","","","","","","(2S,3R,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol","","COP1(=O)C(C(C(O1)C2=CC=CC=C2)O)(C3=CC=CC=C3)O","QEPMUCMTLZPSSO-LMGVVVSRSA-N","9572208",NA,"PDBC04320","707216","Present"
-"(2S,3S)-2,3-Bis[(2-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one","","","","","","","","","","","","","","","","","","","","(2s,3s)-2,3-Bis(2-methoxybenzyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one","","COC1=CC=CC=C1CC2C(OC3(O2)C=CC(=O)C=C3)CC4=CC=CC=C4OC","ALSYJBKKJGQEMR-GOTSBHOMSA-N","404471",NA,"PDBC04321","720703","Present"
-"(2S,3S)-2,3-Bis[(4-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one","","","","","","","","","","","","","","","","","","","","(2S,3S)-2,3-bis(p-anisyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one","","COC1=CC=C(C=C1)CC2C(OC3(O2)C=CC(=O)C=C3)CC4=CC=C(C=C4)OC","MMDQHHLSZSNONR-GOTSBHOMSA-N","404472",NA,"PDBC04322","720704","Present"
-"(2S,3S)-2,3-Bis[(4-methoxyphenyl)methyl]-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one","","","","","","","","","","","","","","","","","","","","(2s,3s)-2,3-Bis(4-methoxybenzyl)-10-(phenylsulfanyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one","","COC1=CC=C(C=C1)CC2C(OC3(O2)C=CC(=O)CC3SC4=CC=CC=C4)CC5=CC=C(C=C5)OC","IJQSOOQLODLVKN-ASYYUYISSA-N","404477",NA,"PDBC04323","720709","Present"
-"(2S,3S)-2-Hydroxy-2-phenyl-3-p-tolylsulfenylbutanamide","","","","","","","","","","","","","","","","","","","","(2S,3S)-2-Hydroxy-2-phenyl-3-p-tolylsulfenylbutanamide","","CC1=CC=C(C=C1)SC(C)C(C2=CC=CC=C2)(C(=O)N)O","QQDHDKCUVFNAQU-GUYCJALGSA-N","381957",NA,"PDBC04324","669268","Present"
-"(2S,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-Ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one","","","","","","","","","","","","","","","","","","","","?Leptostatin 1? 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta...","","CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1C(C=CC(=O)O1)C)O","WWNRMMIDGQJVCO-GVZWOSPISA-N","11634200",NA,"PDBC04325","736989","Present"
-"(2S,3S)-2-[(3-Methoxy-5-methyl-1-naphthalenylcarbonyl)oxy]-3-methyl-3,4-epoxybutanamide","","","","","","","","","","","","","","","","","","","","(2S,3S)-3,4-Epoxy-2-(3-methoxy-5-methyl-1-naphthoyloxy)-...","","CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)N)C3(CO3)C)OC","KDYGKLQSWCCUFT-QAPCUYQASA-N","9927456",NA,"PDBC04326","727012","Present"
-"(2S,3S)-3-(1,3-Benzothiazol-2-ylsulfanyl)-5-methylhex-5-en-2-ol","","","","","","","","","","","","","","","","","","","","(2S,3S)-3-(1,3-Benzothiazol-2-ylsulfanyl)-5-methylhex-5-en-2-ol","","CC(C(CC(=C)C)SC1=NC2=CC=CC=C2S1)O","HCKVPGFMPWVUNG-GWCFXTLKSA-N","400556",NA,"PDBC04327","712678","Present"
-"(2S,3S)-trans-Epoxysuccinyl-L-leucylamido-3-methylbutane","","","","","","","","","","","","","","","","","","","","(2S,3S)-trans-Epoxysuccinyl-L-leucylamido-3-methylbutane","","CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(O1)C(=O)O","SCMSYZJDIQPSDI-RAMGSTBQSA-N","6712523",NA,"PDBC04328","694279","Present"
-"(2S,3S,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol","","","","","","","","","","","","","","","","","","","","(2S,3S,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol","","COP1(=O)C(C(C(O1)C2=CC=CC=C2)O)(C3=CC=CC=C3)O","QEPMUCMTLZPSSO-WMUXEFRJSA-N","9572205",NA,"PDBC04329","707213","Present"
-"(2S,3S,5R,6S)-5-Bromo-6-(2,5-dioxopyrrolidin-1-yl)bicyclo[2.2.1]heptane-2,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","(2s,3s,5r,6s)-5-Bromo-6-(2,5-dioxopyrrolidin-1-yl)bicyclo[2.2.1]heptane-2,3-dicarboxylic acid","","C1CC(=O)N(C1=O)C2C3CC(C2Br)C(C3C(=O)O)C(=O)O","DGUWCGCSFBDQTL-FCYJLCSHSA-N","263893",NA,"PDBC04330","98601","Present"
-"(2S,3S,7As)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-5-one","","","","","","","","","","","","","","","","","","","","(2S,3S,7As)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-5-one","","CC=CC1C(C=C2C(O1)COC2=O)O","IYMLXBSWXCVNJO-FLIYXMKFSA-N","24202877",NA,"PDBC04331","726146","Present"
-"(2S,3Z)-2-(Iodomethyl)-1-[(4-methoxyphenyl)methyl]-2,5,6,7-tetrahydroazocin-8-one","","","","","","","","","","","","","","","","","","","","(2S,3Z)-2-(Iodomethyl)-1-[(4-methoxyphenyl)methyl]-2,5,6,7-tetrahydroazocin-8-one","","COC1=CC=C(C=C1)CN2C(C=CCCCC2=O)CI","QXKNMNZHLSNGGS-MFBWXBCUSA-N","5471925",NA,"PDBC04332","715437","Present"
-"(2S,4As)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol","","","","","","","","","","","","","","","","","","","","(2S,4As)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol","","CC(C)C1=CC2=C(C=C1)C3(CCC(C(C3CC2)(C)C)O)C","WTHUMSLQUHCWCH-AQCCAAQSSA-N","371616",NA,"PDBC04333","646014","Present"
-"(2S,4R)-4-Hexadecyl-2,6,6-trimethyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide","","","","","","","","","","","","","","","","","","","","(2S,4R)-4-Hexadecyl-2,6,6-trimethyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide","","CCCCCCCCCCCCCCCCC1C[N+](CCOP(=O)(O1)C)(C)C.[Br-]","GJVZYQWEUPEDEU-OIVRKFCVSA-M","9571957",NA,"PDBC04334","678145","Present"
-"(2S,4R,10S,12R)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(17),5(18),6,8,13,15-hexaene","","","","","","","","","","","","","","","","","","","","(2S,4R,10S,12R)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(17),5(18),6,8,13,15-hexaene","","C1=CC2=C3C(=C1)C4C(O4)C5=CC=CC(=C53)C6C2O6","ODWIKMRCLCFXPH-SYMSYNOKSA-N","397363",NA,"PDBC04335","705016","Present"
-"(2S,4S)-3,9-Dioxatricyclo[4.3.1.02,4]decan-8-one","","","","","","","","","","","","","","","","","","","","(2S,4S)-3,9-Dioxatricyclo[4.3.1.02,4]decan-8-one","","C1C2CC(C3C1O3)OC(=O)C2","XINNHNSIWGBMQF-UEFGEUINSA-N","358291",NA,"PDBC04336","618233","Present"
-"(2S,5'R)-7-Chloro-4,6-dimethoxy-5'-methyl-3'-phenylmethoxyspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione","","","","","","","","","","","","","","","","","","","","Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-...","","CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OCC4=CC=CC=C4","LAWAOYZSUFCPKY-ZLOXQWCVSA-N","25171633",NA,"PDBC04337","768102","Present"
-"(2S,5R)-1-Benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one","","","","","","","","","","","","","","","","","","","","(2S,5R)-1-Benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one","","CC(C)(C)C1N(C(=O)C(N1C(=O)C2=CC=CC=C2)CCSC)C","MJXJCPCXJYRRJX-PBHICJAKSA-N","358227",NA,"PDBC04338","618141","Present"
-"(2S,5R)-2-[[5-[[(2S,5R)-3,6-Dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]thiophen-2-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine","","","","","","","","","","","","","","","","","","","","(2S,5R)-2-[[5-[[(2S,5R)-3,6-Dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]thiophen-2-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine","","CC(C)C1C(=NC(C(=N1)OC)CC2=CC=C(S2)CC3C(=NC(C(=N3)OC)C(C)C)OC)OC","WDQIDYNBNRXOSH-VNTMZGSJSA-N","397192",NA,"PDBC04339","704599","Present"
-"(2S,5R,6R,9R)-2-(3,4-Dimethoxyphenyl)-12,13-dimethoxy-3,8-dioxatetracyclo[8.4.0.02,6.05,9]tetradeca-1(14),10,12-triene","","","","","","","","","","","","","","","","","","","","(2S,5R,6R,9R)-2-(3,4-Dimethoxyphenyl)-12,13-dimethoxy-3,8-dioxatetracyclo[8.4.0.02,6.05,9]tetradeca-1(14),10,12-triene","","COC1=C(C=C(C=C1)C23C4COC(C4CO2)C5=CC(=C(C=C35)OC)OC)OC","UHFKQQZCYSTODS-GYISASMLSA-N","6712625",NA,"PDBC04340","701560","Present"
-"(2S,6S,10S)-4,8,12-Trioxo-1,5,9-triazacyclododecane-2,6,10-tricarboxylic acid tribenzyl ester","","","","","","","","","","","","","","","","","","","","Tribenzyl (2S,6S,10S)-4,8,12-trioxo-1,5,9-triazacyclododecane-2,6,10-tricarboxylate","","C1C(NC(=O)CC(NC(=O)CC(NC1=O)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","FQXXRGVBMDYFSQ-QKDODKLFSA-N","5471746",NA,"PDBC04341","713591","Present"
-"(2S,6S,10S)-4,8,12-Trioxo-1,5,9-triazacyclododecane-2,6,10-trispropionic acid tribenzyl ester","","","","","","","","","","","","","","","","","","","","Benzyl 3-[(2S,6S,10S)-4,8,12-trioxo-6,10-bis(3-oxo-3-phenylmethoxypropyl)-1,5,9-triazacyclododec-2-yl]propanoate","","C1C(NC(=O)CC(NC(=O)CC(NC1=O)CCC(=O)OCC2=CC=CC=C2)CCC(=O)OCC3=CC=CC=C3)CCC(=O)OCC4=CC=CC=C4","CXJVOQBTVNBPRQ-ZDCRTTOTSA-N","403123",NA,"PDBC04342","717710","Present"
-"(2S,6S,7S)-2,3,5,6-Tetrabenzyl-8-oxa-4lambda6-thia-3,5-diazabicyclo[5.1.0]octane 4,4-dioxide","","","","","","","","","","","","","","","","","","","","(2S,6S,7S)-2,3,5,6-Tetrabenzyl-8-oxa-4lambda6-thia-3,5-diazabicyclo[5.1.0]octane 4,4-dioxide","","C1=CC=C(C=C1)CC2C3C(O3)C(N(S(=O)(=O)N2CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6","PZLOKVKGSUHYQL-WDJCGXDUSA-N","60147535",NA,"PDBC04343","751478","Present"
-"(2S,6S,7S)-9-Tert-butyl-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","(2S,6S,7S)-9-Tert-butyl-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","NTRWYAFEAWTYFN-XUBUOLIESA-N","370354",NA,"PDBC04344","643417","Present"
-"(2S,6S,7S,12R)-9-Tert-butyl-4-(3-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","(2S,6S,7S,12R)-9-Tert-butyl-4-(3-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=CC=C6)OC","GGKCKTWFPOXIFG-HGIIELDVSA-N","370355",NA,"PDBC04345","643418","Present"
-"(2S,8S,11R,15R,18R,22R,25R,26S)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone","","","","","","","","","","","","","","","","","","","","(2S,8S,11R,15R,18R,22R,25R,26S)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-t","","CC1C2C(=O)NC(C3=NC(CS3)C(=O)NC(C4=NC(CS4)C(=O)NC(C(=O)N5CCCC5C(=N2)S1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C","OGWIUXZANFLYJB-SGZCCPAPSA-N","390559",NA,"PDBC04346","688045","Present"
-"(2S,8S,11R,15R,18R,22S,25S,26R)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone","","","","","","","","","","","","","","","","","","","","(2S,8S,11R,15R,18R,22S,25S,26R)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,2","","CC1C2C(=O)NC(C3=NC(CS3)C(=O)NC(C4=NC(CS4)C(=O)NC(C(=O)N5CCCC5C(=N2)O1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C","RBBBWKUBQVARPL-WDFQIUHBSA-N","390561",NA,"PDBC04347","688047","Present"
-"(2S,8S,11S,15R,18S,22R,25S,26R)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trioxa-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone","","","","","","","","","","","","","","","","","","","","(2S,8S,11S,15R,18S,22R,25S,26R)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trioxa-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-te","","CC1C2C(=O)NC(C3=NC(CO3)C(=O)NC(C4=NC(CO4)C(=O)NC(C(=O)N5CCCC5C(=N2)O1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C","XIFWNNDMMMRULP-SWQMWMPHSA-N","390560",NA,"PDBC04348","688046","Present"
-"(2Z)-1,1-Dioxo-2-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enylidene]-1,4-thiazinan-3-one","","","","","","","","","","","","","","","","","","","","(2E)-2-{(2E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-yl...","","C1CS(=O)(=O)C(=CC=CC2=CC(=CC=C2)C(F)(F)F)C(=O)N1","OYALKTNYHCXLNL-RWVMUBBESA-N","155809470",NA,"PDBC04349","780928","Present"
-"(2Z)-1-(2,5-Dichlorophenyl)-3-[(2-oxo-2-phenylethyl)amino]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(2,5-Dichloro-phenyl)-3-(2-oxo-2-phenyl-ethylamino)-pr...","","C1=CC=C(C=C1)C(=O)CNC=CC(=O)C2=C(C=CC(=C2)Cl)Cl","PXRSAJIRBPSJKI-HJWRWDBZSA-N","24203487",NA,"PDBC04350","728223","Present"
-"(2Z)-1-(4-Chlorophenyl)-2-[(2Z)-2-(p-tolylmethylsulfonylmethylimino)-4H-1,4-benzothiazin-3-ylidene]ethanone","","","","","","","","","","","","","","","","","","","","(Z)-1-(4-Chlorophenyl)-2-[(2Z)-2-[(4-methylphenyl)methylsulfonylmethylimino]-1,4-benzothiazin-3-yl]ethenol","","CC1=CC=C(C=C1)CS(=O)(=O)CN=C2C(=NC3=CC=CC=C3S2)C=C(C4=CC=C(C=C4)Cl)O","ZJRWQMYWVKFYNC-DFUCCVLFSA-N","135509149",NA,"PDBC04351","662448","Present"
-"(2Z)-1-(4-Ethoxyphenyl)-2-[(3Z)-3-[2-(4-ethoxyphenyl)-2-oxo-ethylidene]-1,4-dihydroquinoxalin-2-ylidene]ethanone","","","","","","","","","","","","","","","","","","","","(Z)-1-(4-Ethoxyphenyl)-2-[3-[(Z)-2-(4-ethoxyphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol","","CCOC1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3N=C2C=C(C4=CC=C(C=C4)OCC)O)O","HYBPAVZBUFKADQ-HJTNQMAYSA-N","135432523",NA,"PDBC04352","689824","Present"
-"(2Z)-10-Azido-6,7,14,15-tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene","","","","","","","","","","","","","","","","","","","","(2Z)-10-Azido-6,7,14,15-tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene","","COC1=C(C=C2C=CC3=CC(=C(C=C3C(CC2=C1)N=[N+]=[N-])OC)OC)OC","ORIWKZIIDDFSKY-WAYWQWQTSA-N","5469850",NA,"PDBC04353","693413","Present"
-"(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3aH-thiazolo[3,2-a]quinoxalin-1-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3aH-thiazolo[3,2-a]quinoxalin-1-one","","C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N4C(S3)C=NC5=CC=CC=C54","CWCNTBSFXFZORJ-PXNMLYILSA-N","5388231",NA,"PDBC04354","633957","Present"
-"(2Z)-2-(1-Methylpyrrolidin-2-ylidene)pyrrolizine-1,3-dione","","","","","","","","","","","","","","","","","","","","(2Z)-2-(1-Methylpyrrolidin-2-ylidene)pyrrolizine-1,3-dione","","CN1CCCC1=C2C(=O)C3=CC=CN3C2=O","YCEWWCZXNFGMOI-NTMALXAHSA-N","3005362",NA,"PDBC04355","694967","Present"
-"(2Z)-2-(1H-Benzimidazol-2-ylhydrazinylidene)acetic acid","","","","","","","","","","","","","","","","","","","","NSC679196","","C1=CC=C2C(=C1)NC(=N2)NN=CC(=O)O","YIDCVQZEQVYQOL-YHYXMXQVSA-N","6104896",NA,"PDBC04356","679196","Present"
-"(2Z)-2-(2,5-Dioxoimidazolidin-4-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(2,5-Dioxoimidazolidin-4-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]acetamide","","C1=CC=[N+](C=C1)CC(=O)NN=C(C2C(=O)NC(=O)N2)C(=O)N.[Cl-]","HAJUEEDOCDDANF-UHFFFAOYSA-N","9571698",NA,"PDBC04357","646780","Present"
-"(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyimino-N-(1,3-thiazol-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyimino-N-(1,3-thiazol-5-yl)acetamide","","CON=C(C1=CSC(=N1)N)C(=O)NC2=CN=CS2","UYPJSSBUJXEBNV-AUWJEWJLSA-N","6288110",NA,"PDBC04358","660848","Present"
-"(2Z)-2-(3,4-Dimethoxyphenyl)-2-[(5E)-4-(3,4-dimethoxyphenyl)-5-hydrazinylidene-3-oxooxolan-2-ylidene]acetonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-(3,4-Dimethoxyphenyl)-2-[(5E)-4-(3,4-dimethoxyphenyl)-5-hydrazinylidene-3-oxooxolan-2-ylidene]acetonitrile","","COC1=C(C=C(C=C1)C2C(=O)C(=C(C#N)C3=CC(=C(C=C3)OC)OC)OC2=NN)OC","DAFJIKUKUQRKRD-LSRKFPMNSA-N","9569831",NA,"PDBC04359","621162","Present"
-"(2Z)-2-(4-Bromophenyl)-2-[4-(4-bromophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-(4-Bromophenyl)-2-[4-(4-bromophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetonitrile","","C1=CC(=CC=C1C2=C(C(=C(C#N)C3=CC=C(C=C3)Br)OC2=O)O)Br","GWAWAPZOGFVAHO-SAPNQHFASA-N","54719014",NA,"PDBC04360","621469","Present"
-"(2Z)-2-(5-Imino-3-oxo-4-phenyloxolan-2-ylidene)-2-phenylacetonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-(5-Imino-3-oxo-4-phenyloxolan-2-ylidene)-2-phenylacetonitrile","","C1=CC=C(C=C1)C2C(=O)C(=C(C#N)C3=CC=CC=C3)OC2=N","LBMMJPRALNYRKB-XENPFCSJSA-N","5387151",NA,"PDBC04361","621169","Present"
-"(2Z)-2-(Carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-2-[3-(3-nitrophenyl)-5-oxo-2-phenyl-3,4-dihydropyridazin-6-yl]acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(Carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-2-[3-(3-nitrophenyl)-5-oxo-2-phenyl-3,4-dihydropyridazin-6-yl]acetamide","","C1C(N(N=C(C1=O)C(=NNC(=S)N)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]","ZBRGNYWRFMEJDS-WMMMYUQOSA-N","9571700",NA,"PDBC04362","646782","Present"
-"(2Z)-2-(Methylimino)-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","STK053130","","CN=C1C(=CC2=CC=CC=C2O1)C(=O)N","BYOVSAYXYNEHGC-UHFFFAOYSA-N","395971",NA,"PDBC04363","701095","Present"
-"(2Z)-2-(Phenylimino)-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","ChemDiv3_002929","","C1=CC=C(C=C1)N=C2C(=CC3=CC=CC=C3O2)C(=O)N","KXQXSADVPNMWEB-UHFFFAOYSA-N","395970",NA,"PDBC04364","701094","Present"
-"(2Z)-2-Acetonylidene-5,6-dimethyl-1H-thieno[2,3-d][1,3]thiazin-4-one","","","","","","","","","","","","","","","","","","","","2-[(Z)-2-Hydroxyprop-1-enyl]-5,6-dimethylthieno[2,3-d][1,3]thiazin-4-one","","CC1=C(SC2=C1C(=O)SC(=N2)C=C(C)O)C","CHYJEGZMLLQVEC-PLNGDYQASA-N","135493377",NA,"PDBC04365","685433","Present"
-"(2Z)-2-Acetyl-3-({[(4-ethoxyphenyl)amino]carbonothioyl}amino)-N-(2-methylphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-Acetyl-3-({[(4-ethoxyphenyl)amino]carbonothioyl}amino)-N-(2-methylphenyl)acrylamide","","CCOC1=CC=C(C=C1)NC(=S)N=CC(=C(C)O)C(=O)NC2=CC=CC=C2C","QVCGVFAYUKKUDJ-LSDNQSPLSA-N","135499378",NA,"PDBC04366","658301","Present"
-"(2Z)-2-Acetyl-3-[({[4-(aminosulfonyl)phenyl]amino}carbonothioyl)amino]-N-(2-methylphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-Acetyl-3-[({[4-(aminosulfonyl)phenyl]amino}carbonothioyl)amino]-N-(2-methylphenyl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N","KKACOJMDLRUOHT-YSJUBMSDSA-N","135409105",NA,"PDBC04367","658305","Present"
-"(2Z)-2-Acetyl-3-{[(allylamino)carbonothioyl]amino}-N-(2-methylphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-Acetyl-3-{[(allylamino)carbonothioyl]amino}-N-(2-methylphenyl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)NCC=C","DAGYGOMDBNEGEL-IXPUNULSSA-N","135442827",NA,"PDBC04368","658300","Present"
-"(2Z)-2-Acetyl-N-(2-methylphenyl)-3-[(pyridin-4-ylcarbonothioyl)amino]acrylamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-Acetyl-N-(2-methylphenyl)-3-[(pyridin-4-ylcarbonothioyl)amino]acrylamide","","CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)C2=CC=NC=C2","CWAYZYJELYJLQW-WQZXYWPWSA-N","135442830",NA,"PDBC04369","658322","Present"
-"(2Z)-2-Amino-3-[((1Z)-{4-[2-(methoxymethyl)pyrrolidin-1-yl]p henyl}methylene)amino]but-2-enedinitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-amino-3-[((1Z)-{4-[2-(methoxymethyl)pyrrolidin-1-...","","COCC1CCCN1C2=CC=C(C=C2)C=NC(=C(C#N)N)C#N","BYFQRGBWWWKBII-YCQPAETHSA-N","24206055",NA,"PDBC04370","737799","Present"
-"(2Z)-2-Benzylidene-3-phenyl-1,3-oxazolidine-4,5-dione","","","","","","","","","","","","","","","","","","","","(2Z)-2-Benzylidene-3-phenyl-1,3-oxazolidine-4,5-dione","","C1=CC=C(C=C1)C=C2N(C(=O)C(=O)O2)C3=CC=CC=C3","PVSFTJWEPPTAHR-KAMYIIQDSA-N","5795758",NA,"PDBC04371","84922","Present"
-"(2Z)-2-Benzyloxyimino-1,3,4,8b-tetrahydrobiphenylen-4a-ol","","","","","","","","","","","","","","","","","","","","(2Z)-2-Benzyloxyimino-1,3,4,8b-tetrahydrobiphenylen-4a-ol","","C1CC2(C(CC1=NOCC3=CC=CC=C3)C4=CC=CC=C42)O","UGPULUQOSJVXPK-HKWRFOASSA-N","6066733",NA,"PDBC04372","655317","Present"
-"(2Z)-2-Cyano-3-(9-ethyl-9H-carbazol-3-yl)acrylamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-cyano-3-(9-ethyl-9H-carbazol-3-yl)acrylamide","","CCN1C2=C(C=C(C=C2)C=C(C#N)C(=O)N)C3=CC=CC=C31","LHFRPYQQQAPBGD-LCYFTJDESA-N","1724503",NA,"PDBC04373","736774","Present"
-"(2Z)-2-Cyano-3-{4-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl}p rop-2-enethioamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-cyano-3-{4-[2-(methoxymethyl)pyrrolidin-1-yl]phen...","","COCC1CCCN1C2=CC=C(C=C2)C=C(C#N)C(=S)N","CMJBCNKEILSWAD-LCYFTJDESA-N","24206056",NA,"PDBC04374","737800","Present"
-"(2Z)-2-Hydrazinylidene-3-nitro-3-(7-nitro-3,4-dihydroquinoxalin-2-yl)-N-(4-nitrophenyl)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-Hydrazinylidene-3-nitro-3-(7-nitro-3,4-dihydroquinoxalin-2-yl)-N-(4-nitrophenyl)propanamide","","C1C(=NC2=C(N1)C=CC(=C2)[N+](=O)[O-])C(C(=NN)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","OKYDGPDUSKMDPZ-JCMHNJIXSA-N","5887700",NA,"PDBC04375","648639","Present"
-"(2Z)-2-Hydrazinylidene-5,6-dimethyl-3-phenyl-thiazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-Hydrazinylidene-5,6-dimethyl-3-phenyl-thiazolo[4,5-d]pyrimidin-7-one","","CC1=NC2=C(C(=O)N1C)SC(=NN)N2C3=CC=CC=C3","HDXAYHRUBGKYLS-SSZFMOIBSA-N","9571407",NA,"PDBC04376","653412","Present"
-"(2Z)-2-Hydroxy-N-(4-methoxyphenyl)-4-oxo-4-phenylbut-2-enamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-(4-methoxyphenyl)-4-oxo-4-phenylbut-2-enamide","","COC1=CC=C(C=C1)NC(=O)C(=O)C=C(C2=CC=CC=C2)O","HXBXYWGOSAUWDY-PTNGSMBKSA-N","1550262",NA,"PDBC04377","658709","Present"
-"(2Z)-2-Hydroxyimino-3-(2H-triazol-4-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","(2Z)-2-Hydroxyimino-3-(2H-triazol-4-yl)propanoic acid","","C1=NNN=C1CC(=NO)C(=O)O","PMFKQZGFOMVNMB-YWEYNIOJSA-N","6412241",NA,"PDBC04378","117386","Present"
-"(2Z)-2-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-2-(1-Methyl-5-nitroimidazole-2-ylmethylene)-3(2H)-be...","","CN1C(=CN=C1C=C2C(=O)C3=CC=CC=C3O2)[N+](=O)[O-]","WBYWEHLFFOFMMD-POHAHGRESA-N","44444269",NA,"PDBC04379","772257","Present"
-"(2Z)-2-[(2,4-Dichlorophenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(2,4-Dichlorophenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one","","C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=C(C=C(C=C4)Cl)Cl)S3","VVFZQPPWRYCMBO-AUWJEWJLSA-N","1934733",NA,"PDBC04380","633948","Present"
-"(2Z)-2-[(2-Cyanoacetyl)hydrazinylidene]-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(2-Cyanoacetyl)hydrazinylidene]-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxobutanamide","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NNC(=O)CC#N)C(=O)N","OWGCJBVZAVSDNV-GRSHGNNSSA-N","5351368",NA,"PDBC04381","635542","Present"
-"(2Z)-2-[(2-Hydroxy-1-naphthyl)methylene]thiazolo[3,2-a]benzimidazol-1-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(2-Hydroxy-1-naphthyl)methylene]thiazolo[3,2-a]benzimidazol-1-one","","C1=CC=C2C(=C1)C=CC(=C2C=C3C(=O)N4C5=CC=CC=C5N=C4S3)O","ZSTMORBAOJHJPC-WQRHYEAKSA-N","5388229",NA,"PDBC04382","633947","Present"
-"(2Z)-2-[(3R,4S,6R,10S)-4,10-Dihydroxy-3-[(3E,5Z)-6-(hydroxymethyl)-10-methylundeca-1,3,5,9-tetraen-2-yl]-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal","","","","","","","","","","","","","","","","","","","","Spiroirida-15(28),16-dienal, 14,15-dihydro- 26(R),29-dih...","","CC(=CCCC(=CC=CC(=C)C1CCC2(C1O)C(C(=C(C)C=O)CCC2(C)O)CCCO)CO)C","PFWNRJSLKAVWGD-WHPGRMRZSA-N","11969948",NA,"PDBC04383","643547","Present"
-"(2Z)-2-[(3Z)-3-[2-(4-Chlorophenyl)-2-oxo-ethylidene]-1,4-dihydroquinoxalin-2-ylidene]-1-phenyl-ethanone","","","","","","","","","","","","","","","","","","","","(Z)-2-[3-[(Z)-2-(4-Chlorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]-1-phenylethenol","","C1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3N=C2C=C(C4=CC=C(C=C4)Cl)O)O","WIZMPVVNNWLZRY-YBOYZMIGSA-N","135426594",NA,"PDBC04384","702014","Present"
-"(2Z)-2-[(3Z)-3-[2-(4-Chlorophenyl)-2-oxo-ethylidene]-6-nitro-1,4-dihydroquinoxalin-2-ylidene]-1-phenyl-ethanone","","","","","","","","","","","","","","","","","","","","(Z)-2-[3-[(Z)-2-(4-Chlorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]-1-phenylethenol","","C1=CC=C(C=C1)C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C(C4=CC=C(C=C4)Cl)O)O","LNRZREYNIGOBDE-GACBQCINSA-N","135440811",NA,"PDBC04385","682579","Present"
-"(2Z)-2-[(4-Hydroxyphenyl)methylidene]-5-methoxy-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(4-Hydroxyphenyl)methylidene]-5-methoxy-1-benzofuran-3-one","","COC1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)O)C2=O","SCNLPKXECAMANX-NVNXTCNLSA-N","54613041",NA,"PDBC04386","747169","Present"
-"(2Z)-2-[(4Z)-3-Chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(4Z)-3-Chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile","","C1=CC(=CC=C1C(=C2C=CC(=NO)C(=C2)Cl)C#N)Cl","KASFVGQOBYGUEY-ZOCPVQLTSA-N","5715133",NA,"PDBC04387","102225","Present"
-"(2Z)-2-[(4Z)-4-Hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(4Z)-4-Hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile","","COC1=CC=C(C=C1)C(=C2C=CC(=NO)C3=CC=CC=C23)C#N","CYCYSCSRPYPQLM-DHZPKXATSA-N","6514025",NA,"PDBC04388","406637","Present"
-"(2Z)-2-[(5-Nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-2-(5-Nitrothiophene-2-ylmethylene)-3(2H)-benzofuranone","","C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])O2","FFONSOSBDNEBEX-XFFZJAGNSA-N","155809679",NA,"PDBC04389","772282","Present"
-"(2Z)-2-[(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)imino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)imino]pentanedioic acid","","C(CC(=O)O)C(=NC1=NN=C(S1)S(=O)(=O)N)C(=O)O","ZWLYVYGBCGSNSD-OQFOIZHKSA-N","6374956",NA,"PDBC04390","695653","Present"
-"(2Z)-2-[(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one","","CC1C(=O)N(C(=NN=C2C3=C(C=CC(=C3)Br)NC2=O)S1)C4CCCCC4","DKOSLWXQYNFCNG-PYCFMQQDSA-N","135436322",NA,"PDBC04391","718637","Present"
-"(2Z)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one","","C1=CC=C(C=C1)C2=CC(=O)C(=CC(=O)C3=CC=C(C=C3)Cl)O2","JEHNULRDVZQRHG-ZDLGFXPLSA-N","1550413",NA,"PDBC04392","674916","Present"
-"(2Z)-2-[2-(Cyanomethyl)phenyl]-2-[4-[2-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-[2-(Cyanomethyl)phenyl]-2-[4-[2-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile","","C1=CC=C(C(=C1)CC#N)C2C(=O)C(=C(C#N)C3=CC=CC=C3CC#N)OC2=N","BESXYZBXFLUMDX-HSHDQCBASA-N","5387150",NA,"PDBC04393","621166","Present"
-"(2Z)-2-[3-(1-Adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-bromophenyl)ethanone","","","","","","","","","","","","","","","","","","","","(2Z)-2-[3-(1-Adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-bromophenyl)ethanone","","C1C2CC3CC1CC(C2)(C3)NC4=NC5=CC=CC=C5N=C4C=C(C6=CC=C(C=C6)Br)O","MGLBSMSUWWITRP-MSXFZWOLSA-N","135409165",NA,"PDBC04394","662445","Present"
-"(2Z)-2-[3-Amino-4-(4-chlorophenyl)-5-hydroxy-1H-pyridazin-6-ylidene]-2-(4-chlorophenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-[3-Amino-4-(4-chlorophenyl)-5-hydroxy-1H-pyridazin-6-ylidene]-2-(4-chlorophenyl)acetonitrile","","C1=CC(=CC=C1C2=C(C(=C(C#N)C3=CC=C(C=C3)Cl)NN=C2N)O)Cl","BUMMMFOUCGXOSF-JQIJEIRASA-N","135510045",NA,"PDBC04395","621473","Present"
-"(2Z)-2-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-3-phenyl-1,3-thiazinan-5-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-3-phenyl-1,3-thiazinan-5-one","","CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)SN=C5N(CC(=O)CS5)C6=CC=CC=C6","VPKKNGABQBXKLS-HYOGKJQXSA-N","24203715",NA,"PDBC04396","729194","Present"
-"(2Z)-2-[4-(Cyanomethyl)phenyl]-2-[4-[4-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-[4-(Cyanomethyl)phenyl]-2-[4-[4-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile","","C1=CC(=CC=C1CC#N)C2C(=O)C(=C(C#N)C3=CC=C(C=C3)CC#N)OC2=N","JONMXLHBUZOGNL-HSHDQCBASA-N","5387152",NA,"PDBC04397","621185","Present"
-"(2Z)-2-[5-(2,6,6-Trimethylcyclohexen-1-yl)-3-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]cyclohex-2-en-1-ylidene]acetic acid","","","","","","","","","","","","","","","","","","","","(2Z)-2-[5-(2,6,6-Trimethylcyclohexen-1-yl)-3-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohex-2-en-1-ylidene]acetic acid","","CC1=C(C(CCC1)(C)C)C=CC2=CC(=CC(=O)O)CC(C2)C3=C(CCCC3(C)C)C","OSJIOOWZMIEHAZ-OMCQQFIBSA-N","5387557",NA,"PDBC04398","624510","Present"
-"(2Z)-2-[5-Amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-[5-Amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)acetonitrile","","C1=CC(=CC=C1C2=C(OC(=C(C#N)C3=CC=C(C=C3)Cl)C2=O)N)Cl","XAWHATZWRGMNAN-SAPNQHFASA-N","5921780",NA,"PDBC04399","621467","Present"
-"(2Z)-2-[Bromo(iodo)methylidene]cyclohexan-1-one","","","","","","","","","","","","","","","","","","","","2-[(Z)-bromoiodomethylidene] cyclohexanone","","C1CCC(=O)C(=C(Br)I)C1","MCOGFXOCYOJSND-ALCCZGGFSA-N","5467657",NA,"PDBC04400","657562","Present"
-"(2Z)-2-[[2-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[2-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one","","C1=CC=C(C(=C1)C=C2C(=O)NC3=CC=CC=C3S2)C(F)(F)F","MPOYICXOCNFHJL-ZROIWOOFSA-N","5476890",NA,"PDBC04401","271278","Present"
-"(2Z)-2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1-phenylbutane-1,3-dione","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1-phenylbutane-1,3-dione","","CC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C(=O)C3=CC=CC=C3","WXWUCBCHDJBFOS-QINSGFPZSA-N","24203791",NA,"PDBC04402","729523","Present"
-"(2Z)-2-[[3-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[3-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one","","C1=CC=C2C(=C1)NC(=O)C(=CC3=CC(=CC=C3)C(F)(F)F)S2","CPGYZWDTGDRKHK-ZROIWOOFSA-N","5476828",NA,"PDBC04403","267589","Present"
-"(2Z)-2-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one","","C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=CC4=CC(=CC=C4)OCC(=O)C5=CC=C(C=C5)Cl)O3","GIVFQYLAYFHIIH-MYYYXRDXSA-N","45028848",NA,"PDBC04404","744629","Present"
-"(2Z)-2-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one","","COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)C=C3C(=O)C4=C(O3)C=CC5=CC=CC=C54","QNQQXGJEEABXPT-QQXSKIMKSA-N","45028847",NA,"PDBC04405","744628","Present"
-"(2Z)-2-[[3-[2-(4-Nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[3-[2-(4-Nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one","","C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=CC4=CC(=CC=C4)OCC(=O)C5=CC=C(C=C5)[N+](=O)[O-])O3","XBJYVSFALZULRC-MYYYXRDXSA-N","45028849",NA,"PDBC04406","744630","Present"
-"(2Z)-2-[[4-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[4-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one","","C1=CC=C2C(=C1)NC(=O)C(=CC3=CC=C(C=C3)C(F)(F)F)S2","JFGGNGQMHJXPBU-ZROIWOOFSA-N","5476834",NA,"PDBC04407","268222","Present"
-"(2Z)-2-[[4-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-5-methoxy-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[4-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-5-methoxy-1-benzofuran-3-one","","COC1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)OCC(=O)C4=CC=C(C=C4)Cl)C2=O","GIIJFNDCQSBZAG-FMCGGJTJSA-N","45028681",NA,"PDBC04408","743693","Present"
-"(2Z)-2-[[4-[2-(4-Nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[4-[2-(4-Nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one","","C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=CC4=CC=C(C=C4)OCC(=O)C5=CC=C(C=C5)[N+](=O)[O-])O3","CUIYETMXERLSMB-MYYYXRDXSA-N","45028846",NA,"PDBC04409","744627","Present"
-"(2Z)-2-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazono]-3-methyl-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[5-(4-Chlorophenyl)-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazinylidene]-3-methyl-1,3-thiazolidin-4-one","","CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NN=C4N(C(=O)CS4)C)C5=CC=C(C=C5)Cl","HYKRHCVSTJOSQY-NFFVHWSESA-N","9571868",NA,"PDBC04410","667708","Present"
-"(2Z)-2-[[5-Methyl-4-[5-methyl-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(2Z)-2-[[5-Methyl-4-[5-methyl-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one","","CC1=C(N=C(S1)N=C2NC(=O)CS2)C3=C(SC(=N3)N=C4NC(=O)CS4)C","MRNWTMJCTQGMIV-UHFFFAOYSA-N","135585485",NA,"PDBC04411","730517","Present"
-"(2Z)-3-Benzyl-2-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-1,3-thiazinan-5-one","","","","","","","","","","","","","","","","","","","","(2Z)-3-Benzyl-2-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-1,3-thiazinan-5-one","","CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)SN=C5N(CC(=O)CS5)CC6=CC=CC=C6","WIANQJGEMUEOFF-YCNYHXFESA-N","24203716",NA,"PDBC04412","729195","Present"
-"(2Z)-3-Cyano-2-{[hydrazino(oxo)acetyl]hydrazono}-3-(2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-3-Cyano-2-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-3-(2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanamide","","CC1=CC=CC=C1C(C#N)C(=NNC(=O)C(=O)NN)C(=O)NC2=CC=CC(=C2)C(F)(F)F","JWSMOVJRBZKVIQ-NTFVMDSBSA-N","5912776",NA,"PDBC04413","625895","Present"
-"(2Z)-3-Phenyl-2-[[9-(p-tolyl)purin-6-yl]hydrazono]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(2Z)-3-Phenyl-2-[[9-(p-tolyl)purin-6-yl]hydrazono]thiazolidin-4-one","","CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)NN=C4N(C(=O)CS4)C5=CC=CC=C5","YNRRSQXTOLYURT-QLYXXIJNSA-N","9571867",NA,"PDBC04414","667705","Present"
-"(2Z)-3-[2-[4-[2-Oxo-2-[(2Z)-4-oxo-2-phenylimino-thiazolidin-3-yl]ethoxy]phenoxy]acetyl]-2-phenylimino-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[2-[4-[2-Oxo-2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)ethoxy]phenoxy]acetyl]-2-phenylimino-1,3-thiazolidin-4-one","","C1C(=O)N(C(=NC2=CC=CC=C2)S1)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CSC4=NC5=CC=CC=C5","ZUQOSYDFAIAHSS-UHFFFAOYSA-N","394028",NA,"PDBC04415","697146","Present"
-"(2Z)-5-Amino-2-[(4-methoxyphenyl)methylene]-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione","","","","","","","","","","","","","","","","","","","","(2Z)-5-Amino-2-[(4-methoxyphenyl)methylene]-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione","","COC1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(=O)N=C3N2)N4CCOCC4)N","RBCAHMYMACCRIP-RAXLEYEMSA-N","5938361",NA,"PDBC04416","684394","Present"
-"(2Z)-5-Amino-2-benzylidene-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione","","","","","","","","","","","","","","","","","","","","(2Z)-5-Amino-2-benzylidene-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione","","C1COCCN1C2=C(N3C(=O)C(=CC4=CC=CC=C4)NC3=NC2=O)N","FRHBDSSHYRTEAL-BENRWUELSA-N","5920966",NA,"PDBC04417","684391","Present"
-"(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-2-benzylidene-3-oxo-7-phenyl-8aH-thiazolo[3,2-a]pyridine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-Benzylidene-8-(1,3-dihydrobenzimidazol-2-ylidene)-5-imino-3-oxo-7-phenyl-8aH-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile","","C1=CC=C(C=C1)C=C2C(=O)N3C(S2)C(=C4NC5=CC=CC=C5N4)C(=C(C3=N)C#N)C6=CC=CC=C6","MKHUTLRYXBQPHB-VNBAYUTASA-N","135472676",NA,"PDBC04418","650578","Present"
-"(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylene]-3-oxo-7H-thiazolo[3,2-a]pyridine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile","","C1=CC=C2C(=C1)NC(=N2)C3=C4N(C(=C(C3C5=CC=C(C=C5)Cl)C#N)N)C(=O)C(=CC6=CC=C(C=C6)Cl)S4","SGSUYLGXULISEK-XKZIYDEJSA-N","6036038",NA,"PDBC04419","652052","Present"
-"(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]-3-oxo-7H-thiazolo[3,2-a]pyridine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile","","COC1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)OC)C#N)N","FJKACYYBWYGIEO-IWIPYMOSSA-N","6477375",NA,"PDBC04420","652051","Present"
-"(2Z)-5-Bromo-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Bromo-2-(1-methyl-5-nitroimidazole-2-ylmethylene)-...","","CN1C(=CN=C1C=C2C(=O)C3=C(O2)C=CC(=C3)Br)[N+](=O)[O-]","YHRYEMLGRQUXSK-YHYXMXQVSA-N","44444277",NA,"PDBC04421","772259","Present"
-"(2Z)-5-Bromo-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Bromo-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-ben...","","C1=CC2=C(C=C1Br)C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])O2","ADNMHZKFYBUXDA-WDZFZDKYSA-N","155814613",NA,"PDBC04422","772287","Present"
-"(2Z)-5-Chloro-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Chloro-2-(1-methyl-5-nitroimidazole-2-ylmethylene)...","","CN1C(=CN=C1C=C2C(=O)C3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]","FCVBLEXFCIZQCO-YHYXMXQVSA-N","44444274",NA,"PDBC04423","772258","Present"
-"(2Z)-5-Chloro-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Chloro-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-be...","","C1=CC2=C(C=C1Cl)C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])O2","QAMHJGDDFCFPGL-WDZFZDKYSA-N","155816134",NA,"PDBC04424","772283","Present"
-"(2Z)-5-Methoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene...","","CN1C(=CN=C1C=C2C(=O)C3=C(O2)C=CC(=C3)OC)[N+](=O)[O-]","FTBQFBRYZNXQNS-WDZFZDKYSA-N","44444279",NA,"PDBC04425","772261","Present"
-"(2Z)-5-Methoxy-2-[(3-phenacyloxyphenyl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(2Z)-5-Methoxy-2-[(3-phenacyloxyphenyl)methylidene]-1-benzofuran-3-one","","COC1=CC2=C(C=C1)OC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=CC=C4)C2=O","HJHVYNBSGNQSLH-QRVIBDJDSA-N","45028682",NA,"PDBC04426","743694","Present"
-"(2Z)-5-Methoxy-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b...","","COC1=CC2=C(C=C1)OC(=CC3=CC=C(S3)[N+](=O)[O-])C2=O","FHHMWWQVMIUJDG-GHXNOFRVSA-N","155805210",NA,"PDBC04427","772288","Present"
-"(2Z)-5-Methyl-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Methyl-2-(1-methyl-4-nitroimidazole-5-ylmethylene)...","","CC1=CC2=C(C=C1)OC(=CC3=NC=C(N3C)[N+](=O)[O-])C2=O","OYRNHYUENQBODH-WDZFZDKYSA-N","44444278",NA,"PDBC04428","772264","Present"
-"(2Z)-6,7-Dimethoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-6,7-Dimethoxy-2-(1-methyl-5-nitroimidazole-2-ylmethy...","","CN1C(=CN=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)OC)OC)[N+](=O)[O-]","FMJAEMCDTDPGTL-POHAHGRESA-N","44444303",NA,"PDBC04429","772266","Present"
-"(2Z)-6,8-Dichloro-2-[(4-fluorophenyl)imino]-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","(2z)-6,8-Dichloro-2-(4-fluorophenyl)imino-chromene-3-carboxamide","","C1=CC(=CC=C1N=C2C(=CC3=CC(=CC(=C3O2)Cl)Cl)C(=O)N)F","LWOALQQLBCVOAU-UHFFFAOYSA-N","397118",NA,"PDBC04430","704431","Present"
-"(2Z)-6-Chloro-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-6-Chloro-2-(1-methyl-4-nitroimidazole-5-ylmethylene)...","","CN1C(=CN=C1C=C2C(=O)C3=C(O2)C=C(C=C3)Cl)[N+](=O)[O-]","VTPNBXGTZZLKHA-YHYXMXQVSA-N","44444282",NA,"PDBC04431","772265","Present"
-"(2Z)-6-Chloro-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-6-Chloro-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-be...","","C1=CC2=C(C=C1Cl)OC(=CC3=CC=C(S3)[N+](=O)[O-])C2=O","FDAOXPCBLCQCCV-WDZFZDKYSA-N","155809681",NA,"PDBC04432","772285","Present"
-"(2Z)-6-Methoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-6-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene...","","CN1C(=CN=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC)[N+](=O)[O-]","USJNTUCQFCQOLU-WDZFZDKYSA-N","44444285",NA,"PDBC04433","772274","Present"
-"(2Z)-6-Methoxy-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-6-Methoxy-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzo...","","COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","DPFRVEDBZGDCEH-GHXNOFRVSA-N","54590064",NA,"PDBC04434","772278","Present"
-"(2Z)-6-Methoxy-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-6-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b...","","COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])O2","CQDXPKROJWXZAC-GHXNOFRVSA-N","54590063",NA,"PDBC04435","772286","Present"
-"(2Z)-6-Methyl-2-(6-methylindan-1-ylidene)indan-1-one","","","","","","","","","","","","","","","","","","","","(2Z)-6-Methyl-2-(6-methylindan-1-ylidene)indan-1-one","","CC1=CC2=C(CCC2=C3CC4=C(C3=O)C=C(C=C4)C)C=C1","OWRSFEGPAJAENL-MNDPQUGUSA-N","3005128",NA,"PDBC04436","674952","Present"
-"(2Z)-6-Methyl-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-6-Methyl-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof...","","CC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","LPWOBZJUPUQCTO-GHXNOFRVSA-N","155812777",NA,"PDBC04437","772279","Present"
-"(2Z)-7-Methoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-7-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene...","","CN1C(=CN=C1C=C2C(=O)C3=C(O2)C(=CC=C3)OC)[N+](=O)[O-]","GFNMYAMJZGFQKK-POHAHGRESA-N","44444297",NA,"PDBC04438","772260","Present"
-"(2Z)-7-Methoxy-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-7-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b...","","COC1=CC=CC2=C1OC(=CC3=CC=C(S3)[N+](=O)[O-])C2=O","VTNJVPXKVSVOSJ-XFFZJAGNSA-N","155809680",NA,"PDBC04439","772284","Present"
-"(2Z)-7-Methyl-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-7-Methyl-2-(1-methyl-4-nitroimidazole-5-ylmethylene)...","","CC1=C2C(=CC=C1)C(=O)C(=CC3=NC=C(N3C)[N+](=O)[O-])O2","BZQFSNUNMJEMCG-POHAHGRESA-N","44444295",NA,"PDBC04440","772268","Present"
-"(2Z)-7-Methyl-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(Z)-7-Methyl-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof...","","CC1=C2C(=CC=C1)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","YYCGVOURVJVOMD-XFFZJAGNSA-N","155808366",NA,"PDBC04441","772262","Present"
-"(2Z)-8-Allyl-4-methoxy-2-(2-methoxybenzylidene)furo[3,2-f][1]benzofuran-3(2H)-one","","","","","","","","","","","","","","","","","","","","(2Z)-8-allyl-4-methoxy-2-(2-methoxybenzylidene)furo[3,2-...","","COC1=CC=CC=C1C=C2C(=O)C3=C(C4=C(C(=C3O2)CC=C)OC=C4)OC","JHMHJENYFQVKFC-ATVHPVEESA-N","60148102",NA,"PDBC04442","753632","Present"
-"(2Z)-N-(2,3-Dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(2,3-Dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide","","CC1=C(C(=CC=C1)NC(=O)C(=NN)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-])C","CHABIGCZQYAMIZ-ULJHMMPZSA-N","5936844",NA,"PDBC04443","646809","Present"
-"(2Z)-N-(2,5-Dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(2,5-Dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide","","CC1=CC(=C(C=C1)C)NC(=O)C(=NN)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","KKBXQEBGPSKLCL-ULJHMMPZSA-N","5900400",NA,"PDBC04444","648660","Present"
-"(2Z)-N-(4-Chlorophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-(1-oxidopyridin-1-ium-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(4-Chlorophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-(1-oxidopyridin-1-ium-2-yl)propanamide","","C1=CC=[N+](C(=C1)CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)Cl)[O-]","ONFWMCBNWALUMX-MOHJPFBDSA-N","9571341",NA,"PDBC04445","646384","Present"
-"(2Z,10E)-3-(Methylbut-2-enyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate","","","","","","","","","","","","","","","","","","","","(2Z,6E,10E)-3-(Methylbut-2-enyl)-7,11,15-trimethylhexade...","","CC(=CCCC(=CCCC(=CCOP(=O)(N(C)CCCCCl)OCC1=CC=C(O1)[N+](=O)[O-])CC=C(C)C)C)C","AWDAFDZLUZUOKI-GGGHJSHRSA-N","16736584",NA,"PDBC04446","730232","Present"
-"(2Z,10E)-3-Allyl-7,11,15-trimethylhexadeca-2,6,10,14-tetr aen-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate","","","","","","","","","","","","","","","","","","","","(2Z,6E,10E)-3-allyl-7,11,15-trimethylhexadeca-2,6,10,14-...","","CC(=CCCC(=CCCC(=CCOP(=O)(N(C)CCCCCl)OCC1=CC=C(O1)[N+](=O)[O-])CC=C)C)C","ZLRMXSICFWQDNL-DFYPRORVSA-N","16738556",NA,"PDBC04447","730231","Present"
-"(2Z,10E)-3-Tert-butyl-7,11,15-trimethylhexadeca-2,6,10-tr ien-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate","","","","","","","","","","","","","","","","","","","","(2Z,6E,10E)-3-tert-butyl-7,11,15-trimethylhexadeca-2,6,1...","","CC(=CCCC(=CCCC(=CCOP(=O)(N(C)CCCCCl)OCC1=CC=C(O1)[N+](=O)[O-])C(C)(C)C)C)C","CENMSNFMZUNZCJ-RDOXKSFNSA-N","11635544",NA,"PDBC04448","730233","Present"
-"(2Z,3Z)-Bis(1,3-benzodioxol-5-ylmethylene)succinic acid","","","","","","","","","","","","","","","","","","","","(2Z,3Z)-Bis(1,3-benzodioxol-5-ylmethylene)succinic acid","","C1OC2=C(O1)C=C(C=C2)C=C(C(=CC3=CC4=C(C=C3)OCO4)C(=O)O)C(=O)O","BFGVJWYCQSEQET-GFIWHYBVSA-N","5387805",NA,"PDBC04449","627590","Present"
-"(2Z,4-Dienethi oamide","","","","","","","","","","","","","","","","","","","","(2Z,4E)-2-cyano-5-[4-(diethylamino)phenyl]penta-2,4-dien...","","CCN(CC)C1=CC=C(C=C1)C=CC=C(C#N)C(=S)N","UJMGMXXAIVMBAY-JEZZUBLBSA-N","24205810",NA,"PDBC04450","736780","Present"
-"(2Z,4-Dienethioamide","","","","","","","","","","","","","","","","","","","","(2Z,4E)-2-cyano-5-(4-methoxyphenyl)penta-2,4-dienethioamide","","COC1=CC=C(C=C1)C=CC=C(C#N)C(=S)N","KIRCJLMBMDDROL-ICKRUQPGSA-N","24205808",NA,"PDBC04451","736778","Present"
-"(2Z,4Ar,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-(4-methylpiperazine-1-carbonyl)-2-(pyridin-3-ylmethylidene)-4a,5,6,7,8,9,10,11,12,12a,14,14a-dodecahydro-1H-picen-3-one","","","","","","","","","","","","","","","","","","","","2-[3-vinylpyridine]-3-oxo-urs-12(13)-en-28-N-methylpiper...","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(=CC6=CN=CC=C6)C(=O)C5(C)C)C)C)C2C1C)C)C(=O)N7CCN(CC7)C","SRVVGWWAYVDHMF-MBMZVHGUSA-N","155809596",NA,"PDBC04452","801984","Present"
-"(2Z,4E)-2-(Benzenesulfinyl)-5-(3-chlorophenyl)penta-2,4-dienenitrile","","","","","","","","","","","","","","","","","","","","(2Z,4E)-5-(3-chlorophenyl)-2-(phenylsulfinyl)penta-2,4-d...","","C1=CC=C(C=C1)S(=O)C(=CC=CC2=CC(=CC=C2)Cl)C#N","WCMYWACCHAFCPJ-UWNNVHOVSA-N","155807223",NA,"PDBC04453","782368","Present"
-"(2Z,4E)-2-(Benzenesulfinyl)-5-phenylpenta-2,4-dienenitrile","","","","","","","","","","","","","","","","","","","","(2Z,4E)-5-phenyl-2-(phenylsulfinyl)penta-2,4-dienenitrile","","C1=CC=C(C=C1)C=CC=C(C#N)S(=O)C2=CC=CC=C2","LKFCYVJDWGLXGU-DESBJYGPSA-N","155814868",NA,"PDBC04454","782369","Present"
-"(2Z,4E)-5-(3-Chlorophenyl)-2-methylsulfinylpenta-2,4-dienenitrile","","","","","","","","","","","","","","","","","","","","(2Z,4E)-5-(3-chlorophenyl)-2-(methylsulfinyl)penta-2,4-d...","","CS(=O)C(=CC=CC1=CC(=CC=C1)Cl)C#N","KAYFQNPAMMCIGZ-FMVMLBDOSA-N","155810455",NA,"PDBC04455","780927","Present"
-"(2Z,4Z)-N-[3-(1-Oxo-8-hydroxy-3,4-dihydro-1H-2-benzopyran-3-yl)-1-propenyl]-2,4-heptadieneamide","","","","","","","","","","","","","","","","","","","","(2Z,4Z)-N-[(E)-3-(8-Hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)prop-1-enyl]hepta-2,4-dienamide","","CCC=CC=CC(=O)NC=CCC1CC2=C(C(=CC=C2)O)C(=O)O1","FXLGTMRGILDRQI-UYSGNFFCSA-N","24878848",NA,"PDBC04456","743513","Present"
-"(2Z,5R)-5-(1,3-Benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one","","","","","","","","","","","","","","","","","","","","(2Z,5R)-5-(1,3-Benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one","","C1OC2=C(O1)C=C(C=C2)C3C=C(N=C4N3C(=O)C(=CC5=CC=C(O5)[N+](=O)[O-])S4)C6=CC(=C(C=C6Cl)Cl)F","VGJKKOWTTJWXDL-JYFLPCGMSA-N","5472197",NA,"PDBC04457","716885","Present"
-"(2Z,5R)-5-(1,3-Benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one","","","","","","","","","","","","","","","","","","","","(2Z,5R)-5-(1,3-Benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one","","C1OC2=C(O1)C=C(C=C2)C3C=C(N=C4N3C(=O)C(=CC5=CC=C(O5)C6=C(C=C(C=C6)Cl)Cl)S4)C7=CC(=C(C=C7Cl)Cl)F","ZTHHSRYRJFSPIK-GZGSKEKVSA-N","5472195",NA,"PDBC04458","716883","Present"
-"(2Z,5R)-5-(4-Chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one","","","","","","","","","","","","","","","","","","","","(2Z,5R)-5-(4-Chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one","","C1=CC(=CC=C1C2C=C(N=C3N2C(=O)C(=CC4=CC=C(O4)[N+](=O)[O-])S3)C5=CC(=C(C=C5Cl)Cl)F)Cl","OGIMDGGIKKMQKL-XXFXOPOGSA-N","5472196",NA,"PDBC04459","716884","Present"
-"(2Z,5R)-5-(4-Chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one","","","","","","","","","","","","","","","","","","","","(2Z,5R)-5-(4-Chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one","","C1=CC(=CC=C1C2C=C(N=C3N2C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)S3)C6=CC(=C(C=C6Cl)Cl)F)Cl","UFWTWFVYUCPJBY-BBPCAZHFSA-N","5472193",NA,"PDBC04460","716881","Present"
-"(2Z,5R)-7-(2,4-Dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one","","","","","","","","","","","","","","","","","","","","(2Z,5R)-7-(2,4-Dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one","","COC1=CC=C(C=C1)C2C=C(N=C3N2C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)S3)C6=CC(=C(C=C6Cl)Cl)F","HUVDTWPETIHQJH-VVUHKRQXSA-N","5472194",NA,"PDBC04461","716882","Present"
-"(2Z,5S,11S,12R)-12-Methoxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),2,8(17),13-tetraen-7-one","","","","","","","","","","","","","","","","","","","","(2Z,5S,11S,12R)-12-Methoxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),2,8(17),13-tetraen-7-one","","CC1=CC2=CC(=C(O2)C(C(CCC3=CC(C1)OC3=O)C(=C)C)OC)C","ODVCRTZCBFWAOL-PQZFABJOSA-N","5470116",NA,"PDBC04462","697738","Present"
-"(2Z,5Z)-3-(2-Benzhydrylidenehydrazinyl)-6-hydroxy-1,6-diphenylhexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","(2Z,5Z)-3-(2-Benzhydrylidenehydrazinyl)-6-hydroxy-1,6-diphenylhexa-2,5-diene-1,4-dione","","C1=CC=C(C=C1)C(=CC(=O)C(=CC(=O)C2=CC=CC=C2)NN=C(C3=CC=CC=C3)C4=CC=CC=C4)O","WHOWIFFBALQAIW-FCTDXPKRSA-N","5470988",NA,"PDBC04463","707063","Present"
-"(2Z,5Z)-6-(2-Chlorophenyl)-2,6-dihydroxy-4-oxo-hexa-2,5-dienoic acid","","","","","","","","","","","","","","","","","","","","(2Z,5Z)-6-(2-Chlorophenyl)-2,6-dihydroxy-4-oxo-hexa-2,5-dienoic acid","","C1=CC=C(C(=C1)C(=CC(=O)C=C(C(=O)O)O)O)Cl","ZMFVQSOGJHNUFA-IEESQIRDSA-N","5467410",NA,"PDBC04464","652165","Present"
-"(2Z,6Z,10E,14E,18E)-20-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-6,10,14,18-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]icosa-2,6,10,14,18-pentaenal","","","","","","","","","","","","","","","","","","","","(2Z,6Z,10E,14E,18E)-20-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-6,10,14,18-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]icosa-2,6,10,14,18-pentaenal","","CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(=O)C=CC1=O)C)C)C)C)C=O)C)C)C","GULGQMRGJIGIOX-JAQZSTLASA-N","5470497",NA,"PDBC04465","702328","Present"
-"(2beta,5alpha,12beta,19alpha)-15-Nitroso-1-methyl-3-hydroxy-4beta-acetoxy-16-methoxy-6,7-didehydroaspidospermidine-3alpha-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-nitroso-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate","","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)N=O)OC)C","OPLFEHXUPGCMGZ-ACSXSLCXSA-N","399522",NA,"PDBC04466","710385","Present"
-"(2e)-1,2-Diphenyl-2-(phenylimino)ethanol","","","","","","","","","","","","","","","","","","","","(2e)-1,2-Diphenyl-2-(phenylimino)ethanol","","C1=CC=C(C=C1)C(C(=NC2=CC=CC=C2)C3=CC=CC=C3)O","ZHTOXPUFUPXHPZ-UHFFFAOYSA-N","283239",NA,"PDBC04467","137611","Present"
-"(2s)-2-[5-(2,4-Dioxopyrimidin-1-yl)pentoxycarbonylamino]-4-guanidino-butanoic acid","","","","","","","","","","","","","","","","","","","","(2s)-2-[5-(2,4-Dioxopyrimidin-1-yl)pentoxycarbonylamino]-4-guanidino-butanoic acid","","C1=CN(C(=O)NC1=O)CCCCCOC(=O)NC(CCN=C(N)N)C(=O)O","LGYYAQNLSUMOQN-JTQLQIEISA-N","389367",NA,"PDBC04468","685413","Present"
-"(2z,3z)-Bis(p-methoxybenzoylmethylene)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine","","","","","","","","","","","","","","","","","","","","(Z)-2-[3-[(Z)-2-Hydroxy-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]pyrazin-2-yl]-1-(4-methoxyphenyl)ethenol","","COC1=CC=C(C=C1)C(=CC2=NC3=C(N=CC=C3)N=C2C=C(C4=CC=C(C=C4)OC)O)O","AEPNXXNVJNDZMG-YBOYZMIGSA-N","135426825",NA,"PDBC04469","720452","Present"
-"(3'Ar,7'aR)-4,4-dimethyl-2-phenylspiro[1,3-thiazole-5,2'-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole]","","","","","","","","","","","","","","","","","","","","(3'Ar,7'aR)-4,4-dimethyl-2-phenylspiro[1,3-thiazole-5,2'-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole]","","CC1(C2(SC3CCCCC3S2)SC(=N1)C4=CC=CC=C4)C","VBQAUJUDMWRJMA-ZIAGYGMSSA-N","402919",NA,"PDBC04470","717241","Present"
-"(3'As,7'aS)-spiro[1,3-dithiolane-2,3'-3a,4,5,6,7,7a-hexahydro-1H-indene]-2'-one","","","","","","","","","","","","","","","","","","","","(3'As,7'aS)-spiro[1,3-dithiolane-2,3'-3a,4,5,6,7,7a-hexahydro-1H-indene]-2'-one","","C1CCC2C(C1)CC(=O)C23SCCS3","WGGVKUSALOMDKF-IUCAKERBSA-N","359244",NA,"PDBC04471","619952","Present"
-"(3'Z,3'Ar,7'aS)-3'-(propan-2-yloxymethylidene)spiro[1,3-dithiolane-2,1'-3a,4,5,6,7,7a-hexahydroindene]-2'-one","","","","","","","","","","","","","","","","","","","","(3'Z,3'Ar,7'aS)-3'-(propan-2-yloxymethylidene)spiro[1,3-dithiolane-2,1'-3a,4,5,6,7,7a-hexahydroindene]-2'-one","","CC(C)OC=C1C2CCCCC2C3(C1=O)SCCS3","MJJKNYUDRLMGCY-ZSCUQQAQSA-N","5387112",NA,"PDBC04472","620492","Present"
-"(3,3-Bis(benzylthio)-1-propenyl)benzene","","","","","","","","","","","","","","","","","","","","(3,3-Bis(benzylthio)-1-propenyl)benzene","","C1=CC=C(C=C1)CSC(C=CC2=CC=CC=C2)SCC3=CC=CC=C3","CNHUOVMDLVOTFW-WUKNDPDISA-N","5933112",NA,"PDBC04473","659168","Present"
-"(3,4,5-Trihydroxy-6-methoxyoxan-2-yl)methyl N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-5-oxododecyl)carbamate","","","","","","","","","","","","","","","","","","","","NSC667651///NSC667652","","COC1C(C(C(C(O1)COC(=O)NCCCCC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)O)O","DVPFWHCKASIXBH-UHFFFAOYSA-N","381247",NA,"PDBC04474","667651///667652","Present"
-"(3,4-Diacetyloxy-5-bromo-6-phenylmethoxyoxan-2-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(3,4-Diacetyloxy-5-bromo-6-phenylmethoxyoxan-2-yl)methyl acetate","","CC(=O)OCC1C(C(C(C(O1)OCC2=CC=CC=C2)Br)OC(=O)C)OC(=O)C","MCIKBQANRURJHO-UHFFFAOYSA-N","359622",NA,"PDBC04475","620681","Present"
-"(3,4-Dichlorophenyl)-[4-(3,4-dichlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]methanone;bromide","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichlorobenzoyl)-4-(3,4-dichlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidinium bromide","","CC[N+]1(CCC(C(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)(C3=CC(=C(C=C3)Cl)Cl)O)C.[Br-]","JRENEHUSEIEQNN-UHFFFAOYSA-M","378649",NA,"PDBC04476","661444","Present"
-"(3,4-Dihydroxy-5-oxooxolan-2-yl)methyl tetradecanoate","","","","","","","","","","","","","","","","","","","","(3,4-Dihydroxy-5-oxooxolan-2-yl)methyl tetradecanoate","","CCCCCCCCCCCCCC(=O)OCC1C(C(C(=O)O1)O)O","SNIAYZDSXCKPDE-UHFFFAOYSA-N","360093",NA,"PDBC04477","621943","Present"
-"(3,4-Dihydroxyphenyl)-phenyliodanium;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC675992","","C1=CC=C(C=C1)[I+]C2=CC(=C(C=C2)O)O.Br","OFCGSNZQRSJGLW-UHFFFAOYSA-O","54611288",NA,"PDBC04478","675992","Present"
-"(3,4-Dimethoxyphenyl)(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile","","","","","","","","","","","","","","","","","","","","(3,4-Dimethoxyphenyl)(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile","","CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC(=C(C=C2)OC)OC","XHWDDXCYHBUILD-UHFFFAOYSA-N","135409027",NA,"PDBC04479","653836","Present"
-"(3,4-Dimethoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanethione","","","","","","","","","","","","","","","","","","","","(3,4-Dimethoxyphenyl)[4-(3-methylphenyl)piperazin-1-yl]methanethione","","CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC(=C(C=C3)OC)OC","CKONIXRQPXPCTM-UHFFFAOYSA-N","256566",NA,"PDBC04480","83502","Present"
-"(3,4-Dimethylphenyl)methyl N'-phenylcarbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","3,4-Dimethylbenzyl phenylcarbamimidothioate, hydrochloride","","CC1=C(C=C(C=C1)CSC(=NC2=CC=CC=C2)N)C.Cl","SSYYDGSTVNANPL-UHFFFAOYSA-N","24195149",NA,"PDBC04481","176410","Present"
-"(3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","Phosphonium, (3,5-di-tert-butyl-4-hydroxybenzyl)tripheny...","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","SBGJXXOQQZZMGU-UHFFFAOYSA-N","10257261",NA,"PDBC04482","157371","Present"
-"(3,5-Dibromo-2-hydroxy-benzylidene)-hydrazide","","","","","","","","","","","","","","","","","","","","(3,5-dibromo-2-hydroxy-benzylidene-hydrazinocarbonylmeth...","","C1=C(C=C(C(=C1C=NNC(=O)CSCC(=O)NN=CC2=C(C(=CC(=C2)Br)Br)O)O)Br)Br","OTZZLFLYYBVBKH-XIBKSJEISA-N","135436443",NA,"PDBC04483","724065","Present"
-"(3,5-Dichloro-2-hydroxy-benzylidene)-hydrazide","","","","","","","","","","","","","","","","","","","","(3,5-dichloro-2-hydroxy-benzylidene-hydrazinocarbonylmet...","","C1=C(C=C(C(=C1C=NNC(=O)CSCC(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl","PAUJVTJURUVVRG-XIBKSJEISA-N","135436441",NA,"PDBC04484","724061","Present"
-"(3,5-Dichloro-2-hydroxyphenyl)methyl carbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","3,5-dichloro-2-hydroxybenzyl-carbamido-thioate, hydrochl...","","C1=C(C=C(C(=C1CSC(=N)N)O)Cl)Cl.Cl","NKSRJZFLQHGHOE-UHFFFAOYSA-N","5351697",NA,"PDBC04485","20878","Present"
-"(3,5-Dimethyl-1,1-dioxo-2-phenyl-4-thiocyanato-thiazin-6-yl) thiocyanate","","","","","","","","","","","","","","","","","","","","(3,5-Dimethyl-1,1-dioxo-2-phenyl-4-thiocyanato-thiazin-6-yl) thiocyanate","","CC1=C(S(=O)(=O)N(C(=C1SC#N)C)C2=CC=CC=C2)SC#N","GXCAAQHHFMUJKS-UHFFFAOYSA-N","364158",NA,"PDBC04486","629830","Present"
-"(3,5-Dimethyl-1,2-oxazol-4-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene","","","","","","","","","","","","","","","","","","","","(e)-(3,5-Dimethylisoxazol-4-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene","","CC1=C(C(=NO1)C)N=NC2=CC3=C(C=C2)N=C(N3)C","QMZFGPFGLKXBSE-UHFFFAOYSA-N","396640",NA,"PDBC04487","703139","Present"
-"(3,5-Dimethyl-4H-pyrazol-4-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene","","","","","","","","","","","","","","","","","","","","(e)-(3,5-Dimethyl-4h-pyrazol-4-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene","","CC1=NN=C(C1N=NC2=CC3=C(C=C2)N=C(N3)C)C","OJIDFSXLVISQLH-UHFFFAOYSA-N","396639",NA,"PDBC04488","703138","Present"
-"(3,5-Dimethyl-6-oxo-3,6-dihydro-2H-1,4-oxazin-3-yl)methyl 4-(hydroxymethyl)-2,4-dimethyl-1,3-oxazolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","(3,5-Dimethyl-6-oxo-2H-1,4-oxazin-3-yl)methyl 4-(hydroxymethyl)-2,4-dimethyl-1,3-oxazolidine-2-carboxylate","","CC1=NC(COC1=O)(C)COC(=O)C2(NC(CO2)(C)CO)C","IVDWMMUHUNCHLW-UHFFFAOYSA-N","354532",NA,"PDBC04489","606535","Present"
-"(3,5-Dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride","","","","","","","","","","","","","","","","","","","","(3,5-Dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride","","CC1=CC(=CC(=C1)C(=N)C2=CC=CC=C2CC3=CC=CC4=CC=CC=C43)C.Cl","WOMKVSGMAMIPRV-UHFFFAOYSA-N","5351940",NA,"PDBC04490","99543","Present"
-"(3,5-Ditert-butyl-2-methoxy-phenyl)-(4-nitrophenyl)methanone","","","","","","","","","","","","","","","","","","","","(3,5-Di-tert-butyl-2-methoxyphenyl)(4-nitrophenyl)methanone","","CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]","ZAKXVLKPKLFGSV-UHFFFAOYSA-N","362901",NA,"PDBC04491","627376","Present"
-"(3,7-Trimethyladamantane-1-olato)ethoxybis(1-phenylbutane-1,3-dionato]titanium(IV)","","","","","","","","","","","","","","","","","","","","(3,5,7-Trimethyladamantane-1-olato)ethoxybis(1-phenylbut...","","CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC12CC3(CC(C1)(CC(C2)(C3)[O-])C)C.[Ti+4]","UGYYGLGUQTVJSH-UHFFFAOYSA-N","368329",NA,"PDBC04492","639086","Present"
-"(3,8,9-Triacetyloxybenzo[c]phenanthridin-2-yl) acetate","","","","","","","","","","","","","","","","","","","","(3,8,9-Triacetyloxybenzo[c]phenanthridin-2-yl) acetate","","CC(=O)OC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)OC(=O)C","PSZGYLBXZNOKSU-UHFFFAOYSA-N","301457",NA,"PDBC04493","179201","Present"
-"(3-(1H-Imidazol-1-yl)-2-quinoxalinyl)((4-methylphenyl)sulfonyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(3-(1H-Imidazol-1-yl)-2-quinoxalinyl)((4-methylphenyl)sulfonyl)acetonitrile","","CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4C=CN=C4","SIGJPFWZEKQQEH-UHFFFAOYSA-N","375325",NA,"PDBC04494","654899","Present"
-"(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone","","CC1(COC(=N1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3)C","GTUFNLUUARSYBI-UHFFFAOYSA-N","382481",NA,"PDBC04495","670087","Present"
-"(3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 2-((6-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)hexyl)amino)ethyl ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, [3-[4-[bis(2-chloroethyl)amino]phenyl] pr...","","CC1=C(N(C2=C1C=C(C=C2)O)CCCCCCNCCOC(=O)NCCCC3=CC=C(C=C3)N(CCCl)CCCl)C4=CC=C(C=C4)O","YVOFRAFRSOZULZ-UHFFFAOYSA-N","393600",NA,"PDBC04496","695794","Present"
-"(3-(4-Methylphenyl)-1H-1,2,4-triazol-5-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetonitrile","","CC1=CC=C(C=C1)C2=NNC(=N2)CC#N","WKBJGNCUYXEFMP-UHFFFAOYSA-N","386777",NA,"PDBC04497","679485","Present"
-"(3-(5,6-Dimethyl-1H-benzimidazol-1-yl)-2-quinoxalinyl)(methylsulfonyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(3-(5,6-Dimethyl-1H-benzimidazol-1-yl)-2-quinoxalinyl)(methylsulfonyl)acetonitrile","","CC1=CC2=C(C=C1C)N(C=N2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C","GTDCBXFXPAKOLN-UHFFFAOYSA-N","375023",NA,"PDBC04498","653849","Present"
-"(3-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)cyclopentyl)methylphosphonic acid","","","","","","","","","","","","","","","","","","","","(3-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)cyclopentyl)methylphosphonic acid","","C1CC(CC1CP(=O)(O)O)N2C=NC(=C2N)C(=O)N","MXGWKAFXPBGRQI-UHFFFAOYSA-N","379788",NA,"PDBC04499","664880","Present"
-"(3-(6-Amino-9H-purin-9-yl)cyclopentyl)methylphosphonic acid","","","","","","","","","","","","","","","","","","","","(3-(6-Amino-9H-purin-9-yl)cyclopentyl)methylphosphonic acid","","C1CC(CC1CP(=O)(O)O)N2C=NC3=C(N=CN=C32)N","GPQNJKFCMWNHAY-UHFFFAOYSA-N","379790",NA,"PDBC04500","664882","Present"
-"(3-(7-Amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)cyclopentyl)methylphosphonic acid","","","","","","","","","","","","","","","","","","","","(3-(7-Amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)cyclopentyl)methylphosphonic acid","","C1CC(CC1CP(=O)(O)O)N2C3=NC=NC(=C3N=N2)N","FJMRAZBMGVHZCK-UHFFFAOYSA-N","379792",NA,"PDBC04501","664884","Present"
-"(3-(Acetyloxy)-7-(1-(acetyloxy)ethyl)-3a-methyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","[3-Acetyloxy-7-(1-acetyloxyethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl acetate","","CC(C1CCC2C(C1COC(=O)C)CCC3(C2CCC3OC(=O)C)C)OC(=O)C","ZAFHWUCEOHMPTI-UHFFFAOYSA-N","386105",NA,"PDBC04502","677737","Present"
-"(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol","","","","","","","","","","","","","","","","","","","","(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol","","C1CC(CC1OCC2=CC=CC=C2)(CNC3=C(C(=NC(=N3)N)Cl)N)CO","XOWUNSSKRQVANA-UHFFFAOYSA-N","385254",NA,"PDBC04503","676365","Present"
-"(3-(Benzyloxy)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromen-2-yl)methanol","","","","","","","","","","","","","","","","","","","","(3-(Benzyloxy)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromen-2-yl)methanol","","C1C2=CC=CC=C2C3C(O1)C(C(O3)CO)OCC4=CC=CC=C4","YIRCGTPRDKWRHB-UHFFFAOYSA-N","362356",NA,"PDBC04504","626101","Present"
-"(3-(Bromomethyl)benzyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","NSC81280","","C1=CC=C(C=C1)[P+](CC2=CC(=CC=C2)CBr)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","FJWFZQIEGHAMIZ-UHFFFAOYSA-M","22269430",NA,"PDBC04505","81280","Present"
-"(3-(Cyclopropylidenemethoxy)-1-propynyl)(trimethyl)silane","","","","","","","","","","","","","","","","","","","","(3-(Cyclopropylidenemethoxy)-1-propynyl)(trimethyl)silane","","C[Si](C)(C)C#CCOC=C1CC1","NPIIIYVZKHQUAW-UHFFFAOYSA-N","380812",NA,"PDBC04506","666532","Present"
-"(3-(Diphenylboryl)-2,4,6-triisopropylphenyl)(diphenyl)borane","","","","","","","","","","","","","","","","","","","","(3-(Diphenylboryl)-2,4,6-triisopropylphenyl)(diphenyl)borane","","B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C(=C(C=C3C(C)C)C(C)C)B(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C","DDLNPICWDVOKQG-UHFFFAOYSA-N","381646",NA,"PDBC04507","668465","Present"
-"(3-(Tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester","","","","","","","","","","","","","","","","","","","","Carbamothioic acid, [4-chloro-3-[(1,1-dimethylethoxy) im...","","CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C=NOC(C)(C)C","RCXQHLSNKCYCLP-RQZCQDPDSA-N","9554700",NA,"PDBC04508","645542","Present"
-"(3-(Trifluoromethyl)anilino)(2-(trifluoromethyl)phenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(3-(Trifluoromethyl)anilino)(2-(trifluoromethyl)phenyl)acetonitrile","","C1=CC=C(C(=C1)C(C#N)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F","NSTPNFTWKQYQIY-UHFFFAOYSA-N","375079",NA,"PDBC04509","654017","Present"
-"(3-(Vinyloxy)propoxy)benzene","","","","","","","","","","","","","","","","","","","","2-Phenyoxyethyl vinyl ether (PhEVE)","","C=COCCCOC1=CC=CC=C1","DWJFYMOGCRXAJA-UHFFFAOYSA-N","375100",NA,"PDBC04510","654111","Present"
-"(3-Acetoxy-2-hexadecanoyloxy-propoxy)phosphinic acid","","","","","","","","","","","","","","","","","","","","(3-Acetoxy-2-hexadecanoyloxy-propoxy)phosphinic acid","","CCCCCCCCCCCCCCCC(=O)OC(COC(=O)C)CO[P+](=O)O","MTRBDFUGNPLHGV-UHFFFAOYSA-O","6328843",NA,"PDBC04511","696392","Present"
-"(3-Acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","5-Hexenyl 4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranoside","","CC(=O)OCC1C(C=CC(O1)OCCCCC=C)OC(=O)C","ICSXSSIMJYVWET-UHFFFAOYSA-N","388309",NA,"PDBC04512","683041","Present"
-"(3-Acetoxy-6-undec-10-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","10-Undecenyl 4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranoside","","CC(=O)OCC1C(C=CC(O1)OCCCCCCCCCC=C)OC(=O)C","WJFWWTCVEIIYIF-UHFFFAOYSA-N","388310",NA,"PDBC04513","683042","Present"
-"(3-Acetyl-1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl nitrate","","","","","","","","","","","","","","","","","","","","(3-Acetyl-1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl nitrate","","CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CO[N+](=O)[O-]","TWCCTXZQVFWQLO-UHFFFAOYSA-N","354844",NA,"PDBC04514","607532","Present"
-"(3-Acetyloxy-6-pyridin-2-ylsulfanyl-3,6-dihydro-2H-pyran-2-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(3-Acetyloxy-6-pyridin-2-ylsulfanyl-3,6-dihydro-2H-pyran-2-yl)methyl acetate","","CC(=O)OCC1C(C=CC(O1)SC2=CC=CC=N2)OC(=O)C","WEJNVQBVBINUNA-UHFFFAOYSA-N","359613",NA,"PDBC04515","620650","Present"
-"(3-Allyl-7-hydroxy[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-ylidene)(1H-benzimidazol-2-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","(3-Allyl-7-hydroxy[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-ylidene)(1H-benzimidazol-2-yl)acetonitrile","","C=CCN1C2=C(C(=O)NC=N2)SC1=C(C#N)C3=NC4=CC=CC=C4N3","XPTYPOFRFWEOOA-YVLHZVERSA-N","135484989",NA,"PDBC04516","652046","Present"
-"(3-Amino-1H-cyclopenta[b]quinoxalin-1-yl)-pyridin-4-ylmethanone","","","","","","","","","","","","","","","","","","","","(3-Amino-1h-cyclopenta[b]quinoxalin-1-yl)-(4-pyridyl)methanone","","C1=CC=C2C(=C1)N=C3C(C=C(C3=N2)N)C(=O)C4=CC=NC=C4","OGCQPZHOIFQKIG-UHFFFAOYSA-N","395808",NA,"PDBC04517","700696","Present"
-"(3-Amino-2-methyl-3-oxopropyl) carbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC51867","","CC(CSC(=N)N)C(=O)N.Cl","FQFWGOIVNPPQJA-UHFFFAOYSA-N","54605215",NA,"PDBC04518","51867","Present"
-"(3-Amino-5-ethynyl-6-methoxy-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(3-amino-5-ethynyl-6-methoxy-1H-indol-2-yl)(3,4,5-trimet...","","COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=C(N2)C=C(C(=C3)C#C)OC)N","BELKHPNHLFJBRU-UHFFFAOYSA-N","155808439",NA,"PDBC04519","777176","Present"
-"(3-Amino-benzenesulfonylamino)-acetic acid","","","","","","","","","","","","","","","","","","","","(3-Amino-benzenesulfonylamino)-acetic acid","","C1=CC(=CC(=C1)S(=O)(=O)NCC(=O)O)N","BNQOCIJJZIHWLK-UHFFFAOYSA-N","362688",NA,"PDBC04520","626926","Present"
-"(3-Aminophenyl)sulfonyl N,N-diethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","(3-Aminophenyl)sulfonyl N,N-diethylcarbamodithioate","","CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC(=C1)N","OHSPPTWLKKBPIV-UHFFFAOYSA-N","394912",NA,"PDBC04521","699005","Present"
-"(3-Aminopropoxy)acetic acid","","","","","","","","","","","","","","","","","","","","(3-Aminopropoxy)acetic acid","","C(CN)COCC(=O)O","PQRFOXXNMIPQFX-UHFFFAOYSA-N","362707",NA,"PDBC04522","626946","Present"
-"(3-Azabicyclo[3.2.2]nonan-3-yl){(E)-[(1Z)-1-(1-hydroxypyridin-2(1H)-ylidene)ethyl]diazenyl}methanethione","","","","","","","","","","","","","","","","","","","","3-Azabicyclo[3.2.2]nonane-3-carbothioic acid,[1-(1-oxido...","","CC(=C1C=CC=CN1O)N=NC(=S)N2CC3CCC(C2)CC3","JXKAUGIWBHDWSM-ZYJJYICWSA-N","44383448",NA,"PDBC04523","351074","Present"
-"(3-Benzamido-4-hydroxyphenyl)arsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-92892","","C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[As](=O)(O)O)O","HLKFPDASZNJDCP-UHFFFAOYSA-N","261032",NA,"PDBC04524","92892","Present"
-"(3-Benzoyl-3-chloro-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(3-Benzoyl-3-chloro-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid","","C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)(C(=O)C4=CC=CC=C4)Cl","FZHHXKOSWGNPIC-UHFFFAOYSA-N","385909",NA,"PDBC04525","677371","Present"
-"(3-Benzoyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(3-Benzoyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid","","C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)C(=O)C4=CC=CC=C4","YELWIFSXUUARFF-UHFFFAOYSA-N","385910",NA,"PDBC04526","677372","Present"
-"(3-Benzoyl-6-hydroxy-4-methoxy-2-bicyclo[2.2.2]oct-2-enyl)-phenyl-methanone","","","","","","","","","","","","","","","","","","","","(3-Benzoyl-6-hydroxy-4-methoxy-2-bicyclo[2.2.2]oct-2-enyl)-phenyl-methanone","","COC12CCC(C(C1)O)C(=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","SPSBAJLBBLGQKG-UHFFFAOYSA-N","372664",NA,"PDBC04527","648197","Present"
-"(3-Benzoyloxy-2-dibenzyloxyphosphoryloxy-5-iodo-6-methyl-tetrahydropyran-4-yl) benzoate","","","","","","","","","","","","","","","","","","","","(3-Benzoyloxy-2-dibenzyloxyphosphoryloxy-5-iodo-6-methyl-tetrahydropyran-4-yl) benzoate","","CC1C(C(C(C(O1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)I","DJBHCAQXADHLMR-UHFFFAOYSA-N","373951",NA,"PDBC04528","650983","Present"
-"(3-Benzoyloxy-6-hydroxy-2-methyloxan-4-yl) benzoate","","","","","","","","","","","","","","","","","","","","(3-Benzoyloxy-6-hydroxy-2-methyloxan-4-yl) benzoate","","CC1C(C(CC(O1)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3","VNYPKNHJPZZNQO-UHFFFAOYSA-N","359624",NA,"PDBC04529","620683","Present"
-"(3-Benzyl-1H-1,2,4-triazol-5-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","DA-04723","","C1=CC=C(C=C1)CC2=NC(=NN2)CC#N","HJLWPRWMFQIXJX-UHFFFAOYSA-N","386779",NA,"PDBC04530","679487","Present"
-"(3-Bromo-1,4-dihydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(2-methylphenyl)methanone","","","","","","","","","","","","","","","","","","","","(3-Bromo-1,4-dihydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(2-methylphenyl)methanone","","CC1=CC=CC=C1C(=O)C2=C(C3=C(CCCC3)C(=C2Br)O)O","GUHQSCGHCWBMKA-UHFFFAOYSA-N","438102",NA,"PDBC04531","618212","Present"
-"(3-Bromo-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)-naphthalen-1-ylmethanone","","","","","","","","","","","","","","","","","","","","(3-Bromo-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)(naphthalen-1-yl)methanone","","C1COS(=O)(=O)C(S(=O)(=O)O1)(C(=O)C2=CC=CC3=CC=CC=C32)Br","PGWMBGZDWCOARO-UHFFFAOYSA-N","386598",NA,"PDBC04532","679048","Present"
-"(3-Bromo-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)-phenylmethanone","","","","","","","","","","","","","","","","","","","","(3-Bromo-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)(phenyl)methanone","","C1COS(=O)(=O)C(S(=O)(=O)O1)(C(=O)C2=CC=CC=C2)Br","PSTCPFUETPIAFN-UHFFFAOYSA-N","375068",NA,"PDBC04533","653952","Present"
-"(3-Bromo-2,3-dichloro-1-(dichloromethylene)-2-propenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","(3-Bromo-2,3-dichloro-1-(dichloromethylene)-2-propenyl)(hydroxy)azane oxide","","C(=C(Cl)Cl)(C(=C(Cl)Br)Cl)[N+](=O)[O-]","GSJNCTPODOZYHV-HNQUOIGGSA-N","3005158",NA,"PDBC04534","678038","Present"
-"(3-Bromo-2,4,6-triisopropylphenyl)(diphenyl)borane","","","","","","","","","","","","","","","","","","","","(3-Bromo-2,4,6-triisopropylphenyl)(diphenyl)borane","","B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C(=C(C=C3C(C)C)C(C)C)Br)C(C)C","VLHVQWRSMUIPQO-UHFFFAOYSA-N","381645",NA,"PDBC04535","668464","Present"
-"(3-Bromophenyl) (E)-3-phenylprop-2-enoate","","","","","","","","","","","","","","","","","","","","(3-Bromophenyl) (E)-3-phenylprop-2-enoate","","C1=CC=C(C=C1)C=CC(=O)OC2=CC(=CC=C2)Br","NSOCAUIOUMJWRD-MDZDMXLPSA-N","5876919",NA,"PDBC04536","700124","Present"
-"(3-Bromopropyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","Phosphonium, (3-bromopropyl)triphenyl- bromide","","C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","ZAHUZZUGJRPGKW-UHFFFAOYSA-M","2723862",NA,"PDBC04537","84074","Present"
-"(3-Chloro-1-benzothiophen-2-yl)-[4-methylidene-2-(2,4,6-trimethylphenyl)imino-3-thia-1-azaspiro[4.5]decan-1-yl]methanone","","","","","","","","","","","","","","","","","","","","(3-Chloro-1-benzothiophen-2-yl)-[4-methylidene-2-(2,4,6-trimethylphenyl)imino-3-thia-1-azaspiro[4.5]decan-1-yl]methanone","","CC1=CC(=C(C(=C1)C)N=C2N(C3(CCCCC3)C(=C)S2)C(=O)C4=C(C5=CC=CC=C5S4)Cl)C","HGXZSOPAHONQJE-UHFFFAOYSA-N","326893",NA,"PDBC04538","299382","Present"
-"(3-Chloro-2-quinoxalinyl)(methylsulfonyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(3-Chloro-2-quinoxalinyl)(methylsulfonyl)acetonitrile","","CS(=O)(=O)C(C#N)C1=NC2=CC=CC=C2N=C1Cl","HCBKJMMCLYMRGI-UHFFFAOYSA-N","375324",NA,"PDBC04539","654898","Present"
-"(3-Chloro-4-(2-(4-(2-hydroxyethyl)-1-piperazinyl)-1,1-dimethyl-2-oxoethoxy)phenyl)(4-chlorophenyl)methanone","","","","","","","","","","","","","","","","","","","","2-[2-Chloro-4-(4-chlorobenzoyl)phenoxy]-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-propan-1-one","","CC(C)(C(=O)N1CCN(CC1)CCO)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)Cl","AQKYULZBAHEEFZ-UHFFFAOYSA-N","378556",NA,"PDBC04540","661194","Present"
-"(3-Chloro-4-(3-(2-chloro-4-(4-chlorobenzoyl)phenoxy)propoxy)phenyl)(4-chlorophenyl)methanone","","","","","","","","","","","","","","","","","","","","(3-Chloro-4-(3-(2-chloro-4-(4-chlorobenzoyl)phenoxy)propoxy)phenyl)(4-chlorophenyl)methanone","","C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)OCCCOC3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)Cl)Cl)Cl","IPVZIFGFMUOIJB-UHFFFAOYSA-N","373058",NA,"PDBC04541","648890","Present"
-"(3-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","(3-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","C1=CC=C(C(=C1)C(=O)OC2=CC(=CC=C2)Cl)NC3=CC(=NC=C3)C(F)(F)F","ZQYISAAAUBFWMX-UHFFFAOYSA-N","11545634",NA,"PDBC04542","731823","Present"
-"(3-Chlorophenyl) 6-(acetyloxymethyl)-2-oxochromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","3-Chlorophenyl 6-[(acetyloxy)methyl]-2-oxo-2h-chromene-3-carboxylate","","CC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CC=C3)Cl","ZSRTUTIVYCMTOS-UHFFFAOYSA-N","402517",NA,"PDBC04543","716543","Present"
-"(3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile","","","","","","","","","","","","","","","","","","","","EN300-08608","","C1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl","XDUDZMHWULSAEP-UHFFFAOYSA-N","375022",NA,"PDBC04544","653848","Present"
-"(3-Cyano-4,6-dimethylpyridin-2-yl) N-(4-chlorobenzoyl)carbamodithioate","","","","","","","","","","","","","","","","","","","","(3-Cyano-4,6-dimethylpyridin-2-yl) N-(4-chlorobenzoyl)carbamodithioate","","CC1=CC(=NC(=C1C#N)SC(=S)NC(=O)C2=CC=C(C=C2)Cl)C","JCDHCSBVZXUHNA-UHFFFAOYSA-N","3950354",NA,"PDBC04545","699979","Present"
-"(3-Cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate","","","","","","","","","","","","","","","","","","","","(3-Cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate","","COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC(=C4)C#N)OC)OC","YWIZEUWFWOOXOJ-UHFFFAOYSA-N","372991",NA,"PDBC04546","648779","Present"
-"(3-Difluoromethyl-6,4-dioxy-quinoxalin-2-yl)-phenyl-methanone","","","","","","","","","","","","","","","","","","","","(3-Difluoromethyl-6,7-dimethyl-1,4-dioxy-quinoxalin-2-yl...","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)F)C(=O)C3=CC=CC=C3","FBLVQHGSDOSVRW-UHFFFAOYSA-N","54612713",NA,"PDBC04547","742327","Present"
-"(3-Fluoro-1-adamantyl)urea","","","","","","","","","","","","","","","","","","","","(3-Fluoro-1-adamantyl)urea","","C1C2CC3(CC1CC(C2)(C3)F)NC(=O)N","SBUGVGNGQYOBAX-UHFFFAOYSA-N","371829",NA,"PDBC04548","646345","Present"
-"(3-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate","","","","","","","","","","","","","","","","","","","","(3-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate","","COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC(=CC=C4)F)OC)OC","QRBGQIJPIBOGPY-UHFFFAOYSA-N","372989",NA,"PDBC04549","648777","Present"
-"(3-Hexadecoxy-2-methoxy-propyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid","","","","","","","","","","","","","","","","","","","","(3-Hexadecoxy-2-methoxy-propyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid","","CCCCCCCCCCCCCCCCOCC(CP(=O)([O-])OCC[N+]1=CC=CC=C1)OC","XQSDGNQFOBIPLM-UHFFFAOYSA-N","372660",NA,"PDBC04550","648156","Present"
-"(3-Hydroxy-2,4-dimethoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone","","","","","","","","","","","","","","","","","","","","(3-hydroxy-2,4-dimethoxy-phenyl)-(4-methoxy-3,5-dimethyl...","","CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)O)OC","KJXSZTITQSZGTL-UHFFFAOYSA-N","155809424",NA,"PDBC04551","797554","Present"
-"(3-Hydroxy-4-oxo-2-phenyl-chromen-8-yl)methylphosphonic acid","","","","","","","","","","","","","","","","","","","","(3-Hydroxy-4-oxo-2-phenyl-chromen-8-yl)methylphosphonic acid","","C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC(=C3O2)CP(=O)(O)O)O","NILYJTDVJSAJGI-UHFFFAOYSA-N","388158",NA,"PDBC04552","682722","Present"
-"(3-Hydroxy-5-oxooxolan-2-yl)methyl tetradecanoate","","","","","","","","","","","","","","","","","","","","(3-Hydroxy-5-oxooxolan-2-yl)methyl tetradecanoate","","CCCCCCCCCCCCCC(=O)OCC1C(CC(=O)O1)O","SWPRAYWOIPKXHO-UHFFFAOYSA-N","360095",NA,"PDBC04553","621945","Present"
-"(3-Hydroxy-7-methyl-2-quinoxalinyl)(phenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(3-Hydroxy-7-methyl-2-quinoxalinyl)(phenyl)acetonitrile","","CC1=CC2=C(C=C1)NC(=O)C(=N2)C(C#N)C3=CC=CC=C3","WQMCNXDMMZKGMZ-UHFFFAOYSA-N","360296",NA,"PDBC04554","622331","Present"
-"(3-Hydroxynaphthalen-2-yl)(piperidin-1-yl)methanone","","","","","","","","","","","","","","","","","","","","Z27689057","","C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C=C2O","SWULXLRLSMCRQM-UHFFFAOYSA-N","235588",NA,"PDBC04555","37162","Present"
-"(3-Iodo-1,1-diphenylpropyl)benzene","","","","","","","","","","","","","","","","","","","","3-IODO-1,1,1-TRIPHENYLPROPANE","","C1=CC=C(C=C1)C(CCI)(C2=CC=CC=C2)C3=CC=CC=C3","HUBLQWZBFWLUGW-UHFFFAOYSA-N","219128",NA,"PDBC04556","26","Present"
-"(3-Iodo-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)-naphthalen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","(3-Iodo-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)(naphthalen-2-yl)methanone","","C1COS(=O)(=O)C(S(=O)(=O)O1)(C(=O)C2=CC3=CC=CC=C3C=C2)I","OQUMDXSOHGYTJP-UHFFFAOYSA-N","386596",NA,"PDBC04557","679046","Present"
-"(3-Isopropoxy-2-methyl-1-triisopropylsilyloxy-9H-carbazol-4-yl) acetate","","","","","","","","","","","","","","","","","","","","(3-Isopropoxy-2-methyl-1-triisopropylsilyloxy-9H-carbazol-4-yl) acetate","","CC1=C(C2=C(C3=CC=CC=C3N2)C(=C1OC(C)C)OC(=O)C)O[Si](C(C)C)(C(C)C)C(C)C","CGOKYOIRKCAVPD-UHFFFAOYSA-N","389256",NA,"PDBC04558","685009","Present"
-"(3-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(3-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl)acetic acid","","COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)OC","RAHMRPZPSDMNKC-UHFFFAOYSA-N","388155",NA,"PDBC04559","682719","Present"
-"(3-Methoxyphenyl) 2-(2-chloro-6-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","(3-Methoxyphenyl) 2-(2-chloro-6-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate","","CC1=C(C(=CC=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)OC3=CC=CC(=C3)OC","GJBCZCMRLDTVFV-UHFFFAOYSA-N","24205396",NA,"PDBC04560","735364","Present"
-"(3-Methoxyphenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","(3-Methoxyphenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate","","CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)OC3=CC=CC(=C3)OC","ODKQCNGPDKXKSG-UHFFFAOYSA-N","24204985",NA,"PDBC04561","733901","Present"
-"(3-Methoxyphenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","(3-Methoxyphenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","COC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F","CKIDAJRBMGKAPF-UHFFFAOYSA-N","11682519",NA,"PDBC04562","731819","Present"
-"(3-Methoxyphenyl)(oxo)arsane","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-31747","","COC1=CC(=CC=C1)[As]=O","VHYPDQBADMLRDN-UHFFFAOYSA-N","233323",NA,"PDBC04563","31747","Present"
-"(3-Methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)-(2,6,6-trimethylcyclohexen-1-yl)methanol","","","","","","","","","","","","","","","","","","","","(3-Methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)-(2,6,6-trimethylcyclohexen-1-yl)methanol","","CC1=C(C(CCC1)(C)C)C(C2C(=CCS2(=O)=O)C)O","QFXAVRIMIVBVLD-UHFFFAOYSA-N","392008",NA,"PDBC04564","691807","Present"
-"(3-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)hydrazine","","","","","","","","","","","","","","","","","","","","(3-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)hydrazine","","CC1CNC2=CC=CC=C2N=C1NN","VQHPAPNPFHFKIK-UHFFFAOYSA-N","397537",NA,"PDBC04565","705845","Present"
-"(3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide","","","","","","","","","","","","","","","","","","","","(3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide","","CN1COCN=C1NC#N","ZQRRDAGXEAOZLK-UHFFFAOYSA-N","370390",NA,"PDBC04566","643484","Present"
-"(3-Methylcyclohex-3-en-1-yl) carbamate","","","","","","","","","","","","","","","","","","","","(3-Methylcyclohex-3-en-1-yl) carbamate","","CC1=CCCC(C1)OC(=O)N","SYCOBYSWOLOHAL-UHFFFAOYSA-N","359573",NA,"PDBC04567","620565","Present"
-"(3-Methylene-6-nitro-indolin-1-yl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","(3-Methylene-6-nitro-indolin-1-yl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(=C)C4=C3C=C(C=C4)[N+](=O)[O-])OC)OC","DWSICZZEASBORM-UHFFFAOYSA-N","390674",NA,"PDBC04568","688305","Present"
-"(3-Methylphenyl){3,4,4-trichloro-1-[(3-methylphenyl)amino]-2-nitrobuta-1,3-die nyl}amine","","","","","","","","","","","","","","","","","","","","3,4,4-Trichloro-1-N,1-N'-bis(3-methylphenyl)-2-nitrobuta-1,3-diene-1,1-diamine","","CC1=CC(=CC=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC(=C2)C","PBADZNPZQVRIDH-UHFFFAOYSA-N","394690",NA,"PDBC04569","698358","Present"
-"(3-Methylquinoxalin-2-yl)-phenyldiazene","","","","","","","","","","","","","","","","","","","","(E)-2-Methyl-3-(phenyldiazenyl)quinoxaline;CS-5646","","CC1=NC2=CC=CC=C2N=C1N=NC3=CC=CC=C3","HUXPPDSCOMVLMY-UHFFFAOYSA-N","121230984",NA,"PDBC04570","792789","Present"
-"(3-Nitro-9H-fluoren-9-yl) carbamimidothioate;hydrobromide","","","","","","","","","","","","","","","","","","","","(3-Nitro-9H-fluoren-9-yl) carbamimidothioate;hydrobromide","","C1=CC=C2C(=C1)C(C3=C2C=C(C=C3)[N+](=O)[O-])SC(=N)N.Br","PUMAOGCVDOOJGG-UHFFFAOYSA-N","5458387",NA,"PDBC04571","175650","Present"
-"(3-Nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate","","","","","","","","","","","","","","","","","","","","(3-Nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate","","COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC(=C4)[N+](=O)[O-])OC)OC","FMMDBKJNHOXPHT-UHFFFAOYSA-N","372993",NA,"PDBC04572","648781","Present"
-"(3-Nitrophenyl)(phenyl)iodanium bromide","","","","","","","","","","","","","","","","","","","","(3-Nitrophenyl)(phenyl)iodanium bromide","","C1=CC=C(C=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-].[Br-]","YADZVEBHDOVDJJ-UHFFFAOYSA-M","24190300",NA,"PDBC04573","106640","Present"
-"(3-Nitrophenyl)methyl carbamimidothioate--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","Carbamimidothioic acid, (3-nitrophenyl)methyl ester, mon...","","C1=CC(=CC(=C1)[N+](=O)[O-])CSC(=N)N.Cl","LFDGHEHBNZQIMU-UHFFFAOYSA-N","13266248",NA,"PDBC04574","176728","Present"
-"(3-O-Benzoyl-2,6-dideoxy-alpha-L-glycero-hex-2-enopyranos-4-ulosyl) uracil","","","","","","","","","","","","","","","","","","","","(3-O-benzoyl-2,6-dideoxy-.alpha.-L-glycero-hex-2-enopyra...","","CC1C(=O)C(=CC(O1)N2C=CC(=O)NC2=O)OC(=O)C3=CC=CC=C3","JUZSDIHOQCXFBF-UHFFFAOYSA-N","365892",NA,"PDBC04575","633973","Present"
-"(3-Oxo-2H-1$l^{3},2-benziodazol-1-yl) acetate","","","","","","","","","","","","","","","","","","","","(3-Oxo-2H-1$l^{3},2-benziodazol-1-yl) acetate","","CC(=O)OI1C2=CC=CC=C2C(=O)N1","YSJTUDMXQVOXKV-UHFFFAOYSA-N","392252",NA,"PDBC04576","692393","Present"
-"(3-Phenoxypropyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","wln: ro3pr&r&r &e &4/12","","C1=CC=C(C=C1)OCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","RXOVIECCQDDPAL-UHFFFAOYSA-M","3048782",NA,"PDBC04577","84069","Present"
-"(3-Sulfanylidene-5,6-dihydroimidazo[2,1-c][1,2,4]thiadiazol-7-yl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]-4,5-dihydroimidazole-1-carbodithioate","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethoxy-benzenesulfonylimino)-imidazolidine-1-c...","","COC1=C(C=C(C=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S)OC","ZQRYRWIRCZCNTF-UHFFFAOYSA-N","24205515",NA,"PDBC04578","736070","Present"
-"(3-Tert-Butoxycarbonylamino-2-carbamoyl-propyl)-carbamic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","(3-Tert-Butoxycarbonylamino-2-carbamoyl-propyl)-carbamic acid tert-butyl ester","","CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C(=O)N","CFCPJSXDMKZEEG-UHFFFAOYSA-N","375634",NA,"PDBC04579","655456","Present"
-"(3-Tert-Butyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetaldehyde","","","","","","","","","","","","","","","","","","","","(3-Tert-Butyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetaldehyde","","CC(C)(C)C1(C2=CC=CC=C2N(C1=O)C)CC=O","ZSLXJJFXYKBEKK-UHFFFAOYSA-N","393198",NA,"PDBC04580","694686","Present"
-"(3-Tert-butyloxetan-3-yl)methyl 4-aminobenzoate","","","","","","","","","","","","","","","","","","","","(3-Tert-butyloxetan-3-yl)methyl 4-aminobenzoate","","CC(C)(C)C1(COC1)COC(=O)C2=CC=C(C=C2)N","MECODBRWJMMGAB-UHFFFAOYSA-N","398436",NA,"PDBC04581","708135","Present"
-"(3-Thienyl)(benzo[c][2,7]naphthyridine-4-yl) ketone","","","","","","","","","","","","","","","","","","","","Benzo[c][2,7]naphthyridin-4-yl(thiophen-3-yl)methanone","","C1=CC=C2C(=C1)C3=C(C=N2)C(=NC=C3)C(=O)C4=CSC=C4","XQRJZYLEWQIIAK-UHFFFAOYSA-N","404064",NA,"PDBC04582","720182","Present"
-"(3-Thioxo-5,1-c][1,2,4]thiadiazol-7-yl)-acetonitrile","","","","","","","","","","","","","","","","","","","","(3-Thioxo-5,6-dihydro-imidazo[2,1-c][1,2,4]thiadiazol-7-...","","C1CN2C(=NSC2=S)N1CC#N","XZBKCMAFXBTITL-UHFFFAOYSA-N","24204736",NA,"PDBC04583","732632","Present"
-"(3-benzyloxybenzylidene-hydrazynocarbonylmethylsulfanyl)...","","","","","","","","","","","","","","","","","","","","(3-benzyloxybenzylidene-hydrazynocarbonylmethylsulfanyl)...","","C1=CC=C(C=C1)COC2=CC=CC(=C2)C=NNC(=O)CSCC(=O)NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4","MACCMASBYGPPRL-ZXHXELASSA-N","9572692",NA,"PDBC04584","724344","Present"
-"(3-bromo-benzylidene-hydrazinocarbonylmethylsulfanyl)ace...","","","","","","","","","","","","","","","","","","","","(3-bromo-benzylidene-hydrazinocarbonylmethylsulfanyl)ace...","","C1=CC(=CC(=C1)Br)C=NNC(=O)CSCC(=O)NN=CC2=CC(=CC=C2)Br","SRBSSBJJZYHIJO-KGIZCEIGSA-N","9572671",NA,"PDBC04585","724067","Present"
-"(3-fluorophenyl)[?]","","","","","","","","","","","","","","","","","","","","(3-fluorophenyl)[?]","","C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=CC(=CC=C5)F","XFCJWFQELKDFGS-UHFFFAOYSA-N","388798",NA,"PDBC04586","683885","Present"
-"(3-hydroxy-benzylidene-hydrazinocarbonylmethylsulfanyl)a...","","","","","","","","","","","","","","","","","","","","(3-hydroxy-benzylidene-hydrazinocarbonylmethylsulfanyl)a...","","C1=CC(=CC(=C1)O)C=NNC(=O)CSCC(=O)NN=CC2=CC(=CC=C2)O","VOYDNVDLCGYOHS-LQGKIZFRSA-N","9572687",NA,"PDBC04587","724296","Present"
-"(3-nitro-benzylidene-hydrazinocarbonylmethylsulfanyl)-ac...","","","","","","","","","","","","","","","","","","","","(3-nitro-benzylidene-hydrazinocarbonylmethylsulfanyl)-ac...","","C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)CSCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-]","BWSGFTCCTCBPTE-QJUDHZBZSA-N","9572668",NA,"PDBC04588","724063","Present"
-"(3-trifluoromethyl-benzylidene-hydrazinocarbonylmethylsu...","","","","","","","","","","","","","","","","","","","","(3-trifluoromethyl-benzylidene-hydrazinocarbonylmethylsu...","","C1=CC(=CC(=C1)C(F)(F)F)C=NNC(=O)CSCC(=O)NN=CC2=CC(=CC=C2)C(F)(F)F","CPGPWOKEKXEKFI-YEBYOEETSA-N","9572690",NA,"PDBC04589","724342","Present"
-"(3-{[4-Chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}phenyl)-N-(4-chlorophenyl)ca rboxamide","","","","","","","","","","","","","","","","","","","","N1-(4-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,5-d...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)Cl","CMXPMHNEKKOUPL-UHFFFAOYSA-N","1194863",NA,"PDBC04590","732847","Present"
-"(3Aalpha,6aalpha)-3alpha,6beta-Bis(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one","","","","","","","","","","","","","","","","","","","","(3s,3Ar,6r,6as)-3,6-bis(1,3-benzodioxol-5-yl)tetrahydro-1h,3h-furo[3,4-c]furan-1-one","","C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(=O)OC2C5=CC6=C(C=C5)OCO6","UIPQDOWYNRWNGN-RCUQFMMVSA-N","400548",NA,"PDBC04591","712669","Present"
-"(3Ar)-7-[3-[4-[3-[[(3aR)-8-methoxy-10-oxo-2,3,3a,10a-tetrahydro-1H-cyclopenta[c][1]benzazepin-7-yl]oxy]propyl]piperazin-1-yl]propoxy]-8-methoxy-2,3,3a,10a-tetrahydro-1H-cyclopenta[c][1]benzazepin-10-one","","","","","","","","","","","","","","","","","","","","1,1'-{[(bispropane-1,N-diyl)piperzine]dioxy}bis[(11aS)-7...","","COC1=C(C=C2C(=C1)C(=O)C3CCCC3C=N2)OCCCN4CCN(CC4)CCCOC5=C(C=C6C(=C5)N=CC7CCCC7C6=O)OC","HZHKSNHWIUGOBJ-DZKOAGKBSA-N","24202913",NA,"PDBC04592","726262","Present"
-"(3Ar)-7-[5-[4-[5-[[(3aR)-8-methoxy-10-oxo-2,3,3a,10a-tetrahydro-1H-cyclopenta[c][1]benzazepin-7-yl]oxy]pentyl]piperazin-1-yl]pentoxy]-8-methoxy-2,3,3a,10a-tetrahydro-1H-cyclopenta[c][1]benzazepin-10-one","","","","","","","","","","","","","","","","","","","","1,1'-{[(bispentane-1,N-diyl)piperzine]dioxy}bis[(11aS)-7...","","COC1=C(C=C2C(=C1)C(=O)C3CCCC3C=N2)OCCCCCN4CCN(CC4)CCCCCOC5=C(C=C6C(=C5)N=CC7CCCC7C6=O)OC","RLUOVWNYPXHLIA-HWOSFROGSA-N","24202914",NA,"PDBC04593","726263","Present"
-"(3Ar,4R,8aR)-8-tert-butylsulfanyl-4-diphenylphosphoryl-1,2,3,3a,4,5,6,8a-octahydroazulene","","","","","","","","","","","","","","","","","","","","(3Ar,4R,8aR)-8-tert-butylsulfanyl-4-diphenylphosphoryl-1,2,3,3a,4,5,6,8a-octahydroazulene","","CC(C)(C)SC1=CCCC(C2C1CCC2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","JQFGIWCDGIXUGO-WXFUMESZSA-N","402433",NA,"PDBC04594","716398","Present"
-"(3Ar,4S,6aR)-3-bromo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","(3Ar,4s,6ar)-3-bromo-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-4-carboxylic acid","","C1C2C(C(N1)C(=O)O)C(=NO2)Br","QGKLHUXQHRHCIF-HZLVTQRSSA-N","394656",NA,"PDBC04595","698258","Present"
-"(3Ar,5R)-3a-methoxy-1,5,8-trimethyl-4,5,7,9-tetrahydroazuleno[6,5-b]furan-2-one","","","","","","","","","","","","","","","","","","","","(3Ar,5R)-3a-methoxy-1,5,8-trimethyl-4,5,7,9-tetrahydroazuleno[6,5-b]furan-2-one","","CC1CC2(C(=C(C(=O)O2)C)CC3=C(CC=C13)C)OC","IJEQRAOGPKEXEG-QLJPJBMISA-N","389713",NA,"PDBC04596","686293","Present"
-"(3Ar,5R,9bR)-5-propyl-3,3a,5,9b-tetrahydrofuro[3,2-c]isochromene-2,6,9-trione","","","","","","","","","","","","","","","","","","","","(3Ar,5R,9bR)-5-propyl-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene-2,6,9-trione","","CCCC1C2=C(C3C(O1)CC(=O)O3)C(=O)C=CC2=O","JUFCKRZBJCRZJF-RULNRJAQSA-N","371285",NA,"PDBC04597","645362","Present"
-"(3Ar,5aR,8aR,8bS)-2,2-dimethyl-7-phenyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-e][1,3]benzoxazole","","","","","","","","","","","","","","","","","","","","(3Ar,5aR,8aR,8bS)-2,2-dimethyl-7-phenyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-e][1,3]benzoxazole","","CC1(OC2C=CC3C(C2O1)N=C(O3)C4=CC=CC=C4)C","HCRVDZJHWORUGH-AAVRWANBSA-N","398124",NA,"PDBC04598","707547","Present"
-"(3Ar,5aS,6S,9aR,10aS)-6-hydroxy-5a,6,10a-trimethyl-9-methylidene-3-propan-2-ylidene-1,3a,4,5,7,8,9a,10-octahydrobenzo[f]azulen-2-one","","","","","","","","","","","","","","","","","","","","(3Ar,5aS,6S,9aR,10aS)-6-hydroxy-5a,6,10a-trimethyl-9-methylidene-3-propan-2-ylidene-1,3a,4,5,7,8,9a,10-octahydrobenzo[f]azulen-2-one","","CC(=C1C2CCC3(C(CC2(CC1=O)C)C(=C)CCC3(C)O)C)C","UNTHALTVCWHNFV-LPKWFMKBSA-N","390119",NA,"PDBC04599","687110","Present"
-"(3Ar,5aS,6S,9aR,10aS)-6-hydroxy-5a,6,9,10a-tetramethyl-3-propan-2-ylidene-3a,4,5,7,9a,10-hexahydro-1H-benzo[f]azulen-2-one","","","","","","","","","","","","","","","","","","","","(3Ar,5aS,6S,9aR,10aS)-6-hydroxy-5a,6,9,10a-tetramethyl-3-propan-2-ylidene-3a,4,5,7,9a,10-hexahydro-1H-benzo[f]azulen-2-one","","CC1=CCC(C2(C1CC3(CC(=O)C(=C(C)C)C3CC2)C)C)(C)O","DKDSPYJCWVOPKW-LPKWFMKBSA-N","390120",NA,"PDBC04600","687111","Present"
-"(3Ar,6R)-spiro[3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole-6,2'-cycloheptane]-1'-one","","","","","","","","","","","","","","","","","","","","(3Ar,6R)-spiro[3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole-6,2'-cycloheptane]-1'-one","","C1CCC(=O)C2(CC1)C3=NOCC3CS2","IUOQHUFXELFPIG-KCJUWKMLSA-N","396909",NA,"PDBC04601","704088","Present"
-"(3Ar,6R,6aR)-3-bromo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","(3Ar,6r,6ar)-3-bromo-4,5,6,6a-tetrahydro-3ah-pyrrolo[4,3-d]isoxazole-6-carboxylic acid","","C1C2C(C(N1)C(=O)O)ON=C2Br","QVEATFSVDQDOGW-BXXZVTAOSA-N","394654",NA,"PDBC04602","698256","Present"
-"(3Ar,6S,6aR)-3-bromo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","(3Ar,6s,6ar)-3-bromo-4,5,6,6a-tetrahydro-3ah-pyrrolo[4,3-d]isoxazole-6-carboxylic acid","","C1C2C(C(N1)C(=O)O)ON=C2Br","QVEATFSVDQDOGW-FLRLBIABSA-N","394655",NA,"PDBC04603","698257","Present"
-"(3Ar,6aR)-3-(3-hydroxy-4,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one","","","","","","","","","","","","","","","","","","","","(3Ar,6ar)-1-(3-hydroxy-4,5-dimethoxy-phenyl)-3,3a,6,6a-tetrahydro-1h-furo[4,3-c]furan-4-one","","COC1=CC(=CC(=C1OC)O)C2C3COC(=O)C3CO2","RKGWRCBRLCZGOO-VTGJNACWSA-N","390654",NA,"PDBC04604","688257","Present"
-"(3Ar,6aS)-4-methoxy-3-methyl-2-oxido-4,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-2-ium-6-one","","","","","","","","","","","","","","","","","","","","(3Ar,6aS)-4-methoxy-3-methyl-3a,6a-dihydrofuro[3,4-d][1,2]oxazol-6(4H)-one 2-oxide","","CC1=[N+](OC2C1C(OC2=O)OC)[O-]","SIMKCCATDYTBNL-GXFGBBIGSA-N","361929",NA,"PDBC04605","625410","Present"
-"(3Ar,7aR)-1,2,3-tribenzyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","(1r,6r)-7,8,9-Tribenzyl-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide","","C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5","WUGPLZXSJMJTKU-KAYWLYCHSA-N","397405",NA,"PDBC04606","705146","Present"
-"(3Ar,7aR)-1,3-Dimethyl-2-ethyloctahydro-1H-1,3,2-benzodiazaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","(1r,6r)-8-Ethyl-7,9-dimethyl-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide","","CCP1(=O)N(C2CCCCC2N1C)C","MFUIQZXBLJYEND-NXEZZACHSA-N","397403",NA,"PDBC04607","705144","Present"
-"(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-methyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","(1r,6r)-7,9-Bis(2,2-dimethylpropyl)-8-methyl-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide","","CC(C)(C)CN1C2CCCCC2N(P1(=O)C)CC(C)(C)C","GZBIJJQBRYAUSP-HUUCEWRRSA-N","397406",NA,"PDBC04608","705147","Present"
-"(3Ar,7aR)-1,3-dibenzyl-2-methyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","(1r,6r)-7,9-Dibenzyl-8-methyl-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide","","CP1(=O)N(C2CCCCC2N1CC3=CC=CC=C3)CC4=CC=CC=C4","UOESKDFATGRFHH-NHCUHLMSSA-N","397404",NA,"PDBC04609","705145","Present"
-"(3Ar,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-1,3,3a,4,5,6,7,7a-octahydroinden-2-one","","","","","","","","","","","","","","","","","","","","(3Ar,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-1,3,3a,4,5,6,7,7a-octahydroinden-2-one","","CC(C)(C)[Si](C)(C)OC1C2CCCCC2CC1=O","KYPONAADTFFCCW-QAYQGLBKSA-N","359511",NA,"PDBC04610","620494","Present"
-"(3Ar,7aR)-2-benzyl-1,3-bis(2,2-dimethylpropyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","(1r,6r)-8-Benzyl-7,9-bis(2,2-dimethylpropyl)-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide","","CC(C)(C)CN1C2CCCCC2N(P1(=O)CC3=CC=CC=C3)CC(C)(C)C","UIZFHDWMKUQTGA-NHCUHLMSSA-N","397407",NA,"PDBC04611","705148","Present"
-"(3Ar,7aS)-3a-prop-2-ynyl-1,3,4,6,7,7a-hexahydroindene-2,5-dione","","","","","","","","","","","","","","","","","","","","(3Ar,7aS)-3a-prop-2-ynyl-1,3,4,6,7,7a-hexahydroindene-2,5-dione","","C#CCC12CC(=O)CCC1CC(=O)C2","FLJAODRONWXHKH-JOYOIKCWSA-N","359516",NA,"PDBC04612","620499","Present"
-"(3Ar,7aS)-3a-prop-2-ynylspiro[1,3,4,6,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-5-one","","","","","","","","","","","","","","","","","","","","(3Ar,7aS)-3a-prop-2-ynylspiro[1,3,4,6,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-5-one","","C#CCC12CC(=O)CCC1CC3(C2)OCCO3","GMMNRAJEOWIMCO-WCQYABFASA-N","359512",NA,"PDBC04613","620495","Present"
-"(3As)-2-methyl-1-quinolin-8-yloxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole","","","","","","","","","","","","","","","","","","","","8-{[(3As)-2-methylhexahydro-1h-pyrrolo[1,2-c][1,3,2]diazaphosphol-1-yl]oxy}quinoline","","CN1CC2CCCN2P1OC3=CC=CC4=C3N=CC=C4","JMKSQDQGWKTMQH-SZQRVLIRSA-N","402496",NA,"PDBC04614","716522","Present"
-"(3As)-2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","(3As)-2-methyl-3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole","","CN1C(C2C(OC3=CC=CC=C3C2=N1)C4=CC=CC=C4)C5=CC=CC=C5","MDSIRHKMGCCZOM-RDABAPPSSA-N","374679",NA,"PDBC04615","652813","Present"
-"(3As)-2-methyl-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole","","","","","","","","","","","","","","","","","","","","(3As)-2-methyl-3-phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole","","CN1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=CC=C4","FXWIAQVCWJJHKP-PYUWXLGESA-N","374678",NA,"PDBC04616","652812","Present"
-"(3As)-5,7-dihydroxy-2-(hydroxymethyl)-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3aH-benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","(3As)-5,7-dihydroxy-2-(hydroxymethyl)-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3aH-benzimidazol-4-one","","CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=C(C(=O)C5C(=C4O)N=C(N5C)CO)O","XWPCUDYPOVFJSB-HNNXBMFYSA-N","135426678",NA,"PDBC04617","706843","Present"
-"(3As,10aR)-1-imino-3a,5,10-trimethyl-2-phenyl-5,10a-dihydro-4H-pyrrolo[3,4-b][1]benzazepin-3-one","","","","","","","","","","","","","","","","","","","","(3As,10aR)-1-imino-3a,5,10-trimethyl-2-phenyl-5,10a-dihydro-4H-pyrrolo[3,4-b][1]benzazepin-3-one","","CC1CC2(C(C(=N)N(C2=O)C3=CC=CC=C3)N(C4=CC=CC=C14)C)C","SIOFKKGTXABFIO-KNVJRODRSA-N","379686",NA,"PDBC04618","664561","Present"
-"(3As,4S,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid","","CC1(OC2C(O1)C(OC2C(=O)O)OC)C","BTFKDZSYIKUCGF-UHFFFAOYSA-N","390961",NA,"PDBC04619","689214","Present"
-"(3As,4S,7aS)-4-[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione","","","","","","","","","","","","","","","","","","","","(3As,4S,7aS)-4-[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione","","CC12CCC(=O)C(C1CCC2=O)CCC3=CC(=O)C=CC3=O","VYZCIPDDACPAQS-DEYYWGMASA-N","394644",NA,"PDBC04620","698246","Present"
-"(3As,5E,9E,12aR)-1-Isopropylidene-3a,6,10-trimethyl-3,3a,4,7,8,11,12,12a-octahydrocyclopentacycloundecen-2(1H)-one","","","","","","","","","","","","","","","","","","","","(3As,5E,9E,12aR)-3a,6,10-trimethyl-1-propan-2-ylidene-4,7,8,11,12,12a-hexahydro-3H-cyclopenta[11]annulen-2-one","","CC1=CCCC(=CCC2(CC(=O)C(=C(C)C)C2CC1)C)C","YETBHHZORHIONL-FHENHQJDSA-N","5469365",NA,"PDBC04621","687107","Present"
-"(3As,5R,6aR)-5-amino-3-bromo-3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","(3As,5R,6aR)-5-amino-3-bromo-3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5-carboxylic acid","","C1C2C(CC1(C(=O)O)N)ON=C2Br","QZQWZDJSCNFSTH-PJVAAEDRSA-N","6712632",NA,"PDBC04622","702654","Present"
-"(3As,5R,9E,14S,15R,15aR)-3,6-Dimethylene-10,14-dimethyl-5,15-dihydroxy-2,3,3a,4,5,6,7,8,11,12,13,14,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one","","","","","","","","","","","","","","","","","","","","(3As,5R,9E,14S,15R,15aR)-5,15-dihydroxy-10,14-dimethyl-3,6-dimethylidene-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-2-one","","CC1CCCC(=CCCC(=C)C(CC2C(C1O)OC(=O)C2=C)O)C","SQZQILNEYFKUMI-YSIFGUBHSA-N","5469905",NA,"PDBC04623","694075","Present"
-"(3As,5R,9R,9bS)-5,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one","","","","","","","","","","","","","","","","","","","","(3As,5R,9R,9bS)-5,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one","","CC1(CCC2C1C3C(CC(C2=C)O)C(=C)C(=O)O3)O","ZYFHDRQNUXIRID-BKDOGVOUSA-N","391021",NA,"PDBC04624","689441","Present"
-"(3As,5S,6R,9E,13E,15aS)-3-Methylene-5-iodo-6-hydroxy-6,10,14-trimethyl-2,3,3a,4,5,6,7,8,11,12,15,15a-dodecahydrocyclotetradeca[b]furan-2-one","","","","","","","","","","","","","","","","","","","","(3As,5S,6R,9E,13E,15aS)-6-hydroxy-5-iodo-6,10,14-trimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one","","CC1=CCCC(C(CC2C(CC(=CCC1)C)OC(=O)C2=C)I)(C)O","RCJSCMFZUGPPHB-ULYAPGBTSA-N","5470068",NA,"PDBC04625","697265","Present"
-"(3As,5S,6R,9S,10R,13E,15aS)-3-Methylene-5,9-diiodo-6,10,14-trimethyl-6,10-epoxy-2,3,3a,4,5,6,7,8,9,10,11,12,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one","","","","","","","","","","","","","","","","","","","","(1R,2S,4S,8S,10E,14R,15S)-2,15-Diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[12.3.1.04,8]octadec-10-en-6-one","","CC1=CCCC2(C(CCC(O2)(C(CC3C(C1)OC(=O)C3=C)I)C)I)C","ABJVPMGWAANYLW-IGWMKULSSA-N","54608971",NA,"PDBC04626","697268","Present"
-"(3As,5S,7S,7aR)-3-methylidene-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-2-one","","","","","","","","","","","","","","","","","","","","(3As,5S,7S,7aR)-3-methylidene-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-2-one","","CC(CCCC(=O)C)C1C2C(CC(O1)C3(CCC(=O)O3)C)C(=C)C(=O)O2","IFIXGSRTTNSXPE-HHDKMFBESA-N","405122",NA,"PDBC04627","722077","Present"
-"(3As,5S,7S,7aR)-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-3-(phenylsulfanylmethyl)-3,3a,4,5,7,7a-hexahydrofuro[2,3-c]pyran-2-one","","","","","","","","","","","","","","","","","","","","(3As,5S,7S,7aR)-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-3-(phenylsulfanylmethyl)-3,3a,4,5,7,7a-hexahydrofuro[2,3-c]pyran-2-one","","CC(CCCC(=O)C)C1C2C(CC(O1)C3(CCC(=O)O3)C)C(C(=O)O2)CSC4=CC=CC=C4","BEWCMAIZKMJGCB-VJCINKSSSA-N","394129",NA,"PDBC04628","697266","Present"
-"(3As,5aR,6aS,10aS,10cS)-4-Methoxy-7,7,10a,10c-tetramethyl-2,3a,4,5a,6,6a,7,8,9,10,10a,10c-dodecahydro-3H-5-oxa-acephe nanthrylene","","","","","","","","","","","","","","","","","","","","(3aS,4S,5aR,6aS,10aS,10cS)-4-Methoxy-7,7,10a,10c-tetrame...","","CC1(CCCC2(C1CC3C4(C2=CCCC4C(O3)OC)C)C)C","JHOAYGACEGHGEA-MVJQVOQTSA-N","24202903",NA,"PDBC04629","726198","Present"
-"(3As,6R,10S,13E,15aS)-3-Methylene-6,10,14-trimethyl-6,10-epoxy-2,3,3a,4,5,6,7,8,9,10,11,12,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one","","","","","","","","","","","","","","","","","","","","(1R,4S,8S,10E,14S)-1,10,14-Trimethyl-5-methylidene-7,18-dioxatricyclo[12.3.1.04,8]octadec-10-en-6-one","","CC1=CCCC2(CCCC(O2)(CCC3C(C1)OC(=O)C3=C)C)C","HDXXAAGZHZREKV-NLSCDXCASA-N","54598865",NA,"PDBC04630","694076","Present"
-"(3As,6aS)-6a-[2-(1,3-benzodioxol-5-yl)ethynyl]-3-benzyl-3a,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]oxazole","","","","","","","","","","","","","","","","","","","","(3As,6as)-6a-[2-(1,3-benzodioxol-5-yl)ethynyl]-3-benzyl-3a,4,5,6-tetrahydro-2h-cyclopenta[d]oxazole","","C1CC2C(C1)(OCN2CC3=CC=CC=C3)C#CC4=CC5=C(C=C4)OCO5","NEHDFNAFJKDMPO-VXKWHMMOSA-N","394626",NA,"PDBC04631","698202","Present"
-"(3As,7aR)-2-methyl-3a-phenyl-2,3,5,6,7,7a-hexahydro-1H-indol-4-one","","","","","","","","","","","","","","","","","","","","(3As,7aR)-2-methyl-3a-phenyl-2,3,5,6,7,7a-hexahydro-1H-indol-4-one","","CC1CC2(C(N1)CCCC2=O)C3=CC=CC=C3","NKSXGTCOEJQFSR-ICSQTIAXSA-N","358981",NA,"PDBC04632","619177","Present"
-"(3As,7aalpha)-8,8-Dimethyl-1-[(R)-2-hydroxypropionyl]octahydro-3abeta,6beta-methano-2,1-benzisothiazole 2,2-dioxide","","","","","","","","","","","","","","","","","","","","(2R)-1-[(1S,5R,7R)-10,10-Dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2-hydroxypropan-1-one","","CC(C(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O)O","LJYKZGYVUVEGPW-VWMGYNLJSA-N","401657",NA,"PDBC04633","715359","Present"
-"(3As,8aR)-1-benzhydryl-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one;(3aS)-1-benzhydryl-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one","","","","","","","","","","","","","","","","","","","","(3As,8aR)-1-benzhydryl-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one;(3aS)-1-benzhydryl-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one","","C1CCC(=O)C2(CCN(C2C1)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C1CCC(=O)C2(CCN(C2C1)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","UAIZSHDDHAMRAH-CBXSCUKQSA-N","357753",NA,"PDBC04634","617275","Present"
-"(3As,8aS)-1-methyl-3a,8a-dihydro-3H-azulen-4-one;carbon monoxide;iron","","","","","","","","","","","","","","","","","","","","(3As,8aS)-1-methyl-3a,8a-dihydro-3H-azulen-4-one;carbon monoxide;iron","","CC1=CCC2C1C=CC=CC2=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]","XGZNLQGKYKQMEN-OOFBUDRMSA-N","54608739",NA,"PDBC04635","649308","Present"
-"(3As,9R,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2,5-dione","","","","","","","","","","","","","","","","","","","","(3As,9R,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2,5-dione","","CC1(CCC2C1C3C(CC(=O)C2=C)C(=C)C(=O)O3)O","XIHCVBVVFAUGQX-GRNNFRHMSA-N","391022",NA,"PDBC04636","689442","Present"
-"(3As,9aS,9bR)-6-benzyl-9a-hydroxy-3-(2,4,6-trimethylphenyl)-3a,7,8,9b-tetrahydro-[1,2]oxazolo[4,5-h][1,4]benzoxazin-4-one","","","","","","","","","","","","","","","","","","","","(3As,9aS,9bR)-6-benzyl-9a-hydroxy-3-(2,4,6-trimethylphenyl)-3a,7,8,9b-tetrahydro-[1,2]oxazolo[4,5-h][1,4]benzoxazin-4-one","","CC1=CC(=C(C(=C1)C)C2=NOC3C2C(=O)C=C4C3(OCCN4CC5=CC=CC=C5)O)C","TWBNIFWIJOWEBK-CAOCKLPOSA-N","362763",NA,"PDBC04637","627025","Present"
-"(3E)-1-Allyl-3-(1-allyl-5-oxo-pyrrolidin-2-ylidene)pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3E)-1-Allyl-3-(1-allyl-5-oxo-pyrrolidin-2-ylidene)pyrrolidine-2,5-dione","","C=CCN1C(=C2CC(=O)N(C2=O)CC=C)CCC1=O","RSJAINHWRRIEEV-ZHACJKMWSA-N","3004165",NA,"PDBC04638","634160","Present"
-"(3E)-1-Oxido-3-(1-oxido-2-phenylindol-1-ium-3-ylidene)-2-phenyl-4H-quinolin-1-ium","","","","","","","","","","","","","","","","","","","","(3E)-1-Oxido-3-(1-oxido-2-phenylindol-1-ium-3-ylidene)-2-phenyl-4H-quinolin-1-ium","","C1C2=CC=CC=C2[N+](=C(C1=C3C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)[O-])C6=CC=CC=C6)[O-]","DSKISLCOSLWPSU-SOYKGTTHSA-N","135505158",NA,"PDBC04639","692409","Present"
-"(3E)-2,4-Ditert-butyl-3-tert-butylimino-1,2,4-oxadiazolidin-5-one","","","","","","","","","","","","","","","","","","","","2,4-Di-tert-butyl-3-(tert-butylimino)-1,2,4-oxadiazolidin-5-one","","CC(C)(C)N=C1N(C(=O)ON1C(C)(C)C)C(C)(C)C","KXHVZOQSPDTKTM-UHFFFAOYSA-N","390096",NA,"PDBC04640","687039","Present"
-"(3E)-3-(1-Anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","(3E)-3-(1-Anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione","","CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC=C(C=C3)F)O","FEBVEBQBTIYAKQ-UHFFFAOYSA-N","135468176",NA,"PDBC04641","239272","Present"
-"(3E)-3-(2-Naphthylimino)-2-[(3E)-3-(2-naphthylimino)-2-phenyl-inden-1-yl]-2-phenyl-indan-1-one","","","","","","","","","","","","","","","","","","","","[2,2'-Bi-1H-indene]-1,1'-diimine, 2,3-dihydro-N,N'-bis(2...","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=NC4=CC5=CC=CC=C5C=C4)C6(C(=NC7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9C6=O)C1=CC=CC=C1","QPTSGPSUJRZTRF-UHFFFAOYSA-N","389849",NA,"PDBC04642","686481","Present"
-"(3E)-3-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-1,1-diphenyl-2-benzothiophene","","","","","","","","","","","","","","","","","","","","(3E)-3-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-1,1-diphenyl-2-benzothiophene","","C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C4C5=CC=CC=C5C(S4)(C6=CC=CC=C6)C7=CC=CC=C7)S2)C8=CC=CC=C8","OKQQHWABDKMBKP-HEFFKOSUSA-N","3004520",NA,"PDBC04643","658176","Present"
-"(3E)-3-(5-Phenyldithiol-3-ylidene)chromene-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-3-(5-Phenyl-3H-1,2-dithiol-3-ylidene)-2H-chromene-2,4(3H)-dione","","C1=CC=C(C=C1)C2=CC(=C3C(=O)C4=CC=CC=C4OC3=O)SS2","QEGUSOMWJVEWSI-FOCLMDBBSA-N","5359006",NA,"PDBC04644","293927","Present"
-"(3E)-3-(Phenylhydrazinylidene)-1,2-dihydroindene-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","(3E)-3-(Phenylhydrazinylidene)-1,2-dihydroindene-4-carboxylic acid","","C1CC(=NNC2=CC=CC=C2)C3=C1C=CC=C3C(=O)O","TYTVKQWPOAZVCQ-NBVRZTHBSA-N","9572359",NA,"PDBC04645","713199","Present"
-"(3E)-3-Benzylidene-1-methylpiperidin-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC623643","","CN1CCC(=O)C(=CC2=CC=CC=C2)C1.Cl","YOMTVRBFXYLRAU-NBYYMMLRSA-N","5387439",NA,"PDBC04646","623643","Present"
-"(3E)-3-Benzylidenepiperidin-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC642598","","C1CNCC(=CC2=CC=CC=C2)C1=O.Cl","RWQBPKWXYNMOBP-YGCVIUNWSA-N","5466752",NA,"PDBC04647","642598","Present"
-"(3E)-3-Ethylideneazetidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","LCXPHUZMYBUAOG-DUXPYHPUSA-","","CC=C1CNC1C(=O)O","LCXPHUZMYBUAOG-DUXPYHPUSA-N","5468309",NA,"PDBC04648","668362","Present"
-"(3E)-3-Hydrazinylidene-4-oxo-2,5-diphenylhexanedinitrile","","","","","","","","","","","","","","","","","","","","NSC634639","","C1=CC=C(C=C1)C(C#N)C(=NN)C(=O)C(C#N)C2=CC=CC=C2","WPAFLQXYBZWZOR-OQKWZONESA-N","5869688",NA,"PDBC04649","634639","Present"
-"(3E)-3-Methyl-4-[(4-nitrophenyl)amino]-N-[(4-nitrophenyl)amino]-4-azabut-3-ena mide","","","","","","","","","","","","","","","","","","","","(3E)-N'-(4-Nitrophenyl)-3-[(4-nitrophenyl)hydrazinylidene]butanehydrazide","","CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NNC2=CC=C(C=C2)[N+](=O)[O-]","KHKMDZKMUZEDKN-GZTJUZNOSA-N","6180765",NA,"PDBC04650","158088","Present"
-"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)C=C4C5=CC=CC=C5NC4=O","CEKFWNXLKQEULR-FYJGNVAPSA-N","5473072",NA,"PDBC04651","723561","Present"
-"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-4-chloro-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-4-chloro-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)C=C4C5=C(C=CC=C5Cl)NC4=O","WAOSQEDNPDCNCJ-XDHOZWIPSA-N","5473076",NA,"PDBC04652","723565","Present"
-"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-chloro-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-chloro-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)C=C4C5=C(C=CC(=C5)Cl)NC4=O","IZGYDLPNAWUCBU-CIAFOILYSA-N","5473077",NA,"PDBC04653","723566","Present"
-"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)C=C4C5=C(C=CC(=C5)F)NC4=O","GGHWWBPESSSSBK-CIAFOILYSA-N","16737377",NA,"PDBC04654","734197","Present"
-"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)C=C4C5=C(C=CC(=C5)O)NC4=O","LPUJTOYQSOYHKI-CIAFOILYSA-N","5473075",NA,"PDBC04655","723564","Present"
-"(3E)-3-[(1-Hydroxy-4-iminopyridin-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(1-Hydroxy-4-iminopyridin-3-yl)methylidene]-1H-indol-2-one","","C1=CC=C2C(=C1)C(=CC3=CN(C=CC3=N)O)C(=O)N2","RCSHUSJHLMZWQF-MQTYBZADSA-N","24206020",NA,"PDBC04656","737704","Present"
-"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one","","CC1=CN2C(=C(N=C2S1)C)C=C3C4=CC=CC=C4N(C3=O)C","MTEYENIQDHFBTE-MDWZMJQESA-N","24205817",NA,"PDBC04657","736793","Present"
-"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)C)C=C3C4=CC=CC=C4NC3=O","RBDUSHBTNRHWGW-KPKJPENVSA-N","5471419",NA,"PDBC04658","711074","Present"
-"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-fluoro-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-fluoro-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)F)NC3=O","NMPQDJPTPTXMEU-WUXMJOGZSA-N","24206017",NA,"PDBC04659","737697","Present"
-"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)O)NC3=O","CEQJVCWHFSILSW-WUXMJOGZSA-N","5473341",NA,"PDBC04660","725100","Present"
-"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1-methylindol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1-methylindol-2-one","","CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)OC)N(C3=O)C","QTAGQBQWZDQICF-RIYZIHGNSA-N","5473340",NA,"PDBC04661","725099","Present"
-"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)OC)NC3=O","XUFZEPMSQVCWNC-NTUHNPAUSA-N","5471422",NA,"PDBC04662","711077","Present"
-"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=C(N=C4N3C=C(S4)C)C)C(=O)N2","GIBORWPONIETQM-AWNIVKPZSA-N","5473343",NA,"PDBC04663","725102","Present"
-"(3E)-3-[(2-Chloro-1-methylindol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-1-methylindol-3-yl)methylidene]-1H-indol-2-one","","CN1C2=CC=CC=C2C(=C1Cl)C=C3C4=CC=CC=C4NC3=O","RUQJXNALMGSKGI-GXDHUFHOSA-N","24203155",NA,"PDBC04664","726904","Present"
-"(3E)-3-[(2-Chloro-1-methylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-1-methylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=C(N(C4=CC=CC=C43)C)Cl)C(=O)N2","YQMSWYTVZQBFDJ-OQLLNIDSSA-N","5471468",NA,"PDBC04665","711608","Present"
-"(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-1H-indol-2-one","","C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)C=C4C5=CC=CC=C5NC4=O","DAOGBRCUNWMZGG-XMHGGMMESA-N","5471469",NA,"PDBC04666","711609","Present"
-"(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(N(C4=CC=CC=C43)C5=CC=CC=C5)Cl","WPJLEHXKBRHDPX-XSFVSMFZSA-N","5471470",NA,"PDBC04667","711610","Present"
-"(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=C(N(C4=CC=CC=C43)C5=CC=CC=C5)Cl)C(=O)N2","OHJQCJWNJKPXDO-DEDYPNTBSA-N","5471471",NA,"PDBC04668","711611","Present"
-"(3E)-3-[(2-Chloro-1H-indol-3-yl)methylidene]-1-phenylindol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-1H-indol-3-yl)methylidene]-1-phenylindol-2-one","","C1=CC=C(C=C1)N2C3=CC=CC=C3C(=CC4=C(NC5=CC=CC=C54)Cl)C2=O","RIAMCSQHTJHKHR-XMHGGMMESA-N","5471474",NA,"PDBC04669","711614","Present"
-"(3E)-3-[(2-Chloro-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(NC4=CC=CC=C43)Cl","JKEOUWKPNVUSGY-NTEUORMPSA-N","5472559",NA,"PDBC04670","720149","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-benzo[g]indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-benzo[g]indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C5=CC=CC=C5C=C4)NC3=O","RBOWYQFQCLFMNA-YBFXNURJSA-N","16738510",NA,"PDBC04671","734206","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=CC=CC=C4NC3=O","NXLTYOPTPSNPPB-OQLLNIDSSA-N","16735297",NA,"PDBC04672","734199","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C=CC(=C4)F)NC3=O","NZOFFEYNWIPCFH-OVCLIPMQSA-N","16735566",NA,"PDBC04673","734198","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C=CC(=C4)O)NC3=O","TXLOFCLJMMXZRD-OVCLIPMQSA-N","16738490",NA,"PDBC04674","734740","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one","","CC1=CC2=C(C=C1O)C(=CC3=C(N(C4=C3C=C(C(=C4)C)OC)C)Cl)C(=O)N2","IJLJGESJNSOCON-VIZOYTHASA-N","16738491",NA,"PDBC04675","734207","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-1H-indol-3-yl)methylidene]-1-phenylindol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-1H-indol-3-yl)methylidene]-1-phenylindol-2-one","","COC1=CC2=C(C=C1)NC(=C2C=C3C4=CC=CC=C4N(C3=O)C5=CC=CC=C5)Cl","AZMNBIRHCBFPMU-XSFVSMFZSA-N","5471475",NA,"PDBC04676","711615","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=C2C=C3C4=C(C=CC(=C4)OC)NC3=O)Cl","CXCRHKKZYFIBFO-OQLLNIDSSA-N","10784359",NA,"PDBC04677","726893","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-ethylindol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-ethylindol-2-one","","CCN1C2=CC=CC=C2C(=CC3=C(NC4=C3C=C(C(=C4)C)OC)Cl)C1=O","NKMFMGLPYLRSGB-MHWRWJLKSA-N","24205083",NA,"PDBC04678","734208","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=CC=CC=C4N(C3=O)C","VEPNCWKOLANJBP-OQLLNIDSSA-N","5471479",NA,"PDBC04679","711619","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-phenylindol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-phenylindol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=CC=CC=C4N(C3=O)C5=CC=CC=C5","KSEYYHWPPBJGQK-DEDYPNTBSA-N","5471480",NA,"PDBC04680","711620","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-benzo[g]indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-benzo[g]indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C5=CC=CC=C5C=C4)NC3=O","JAXPZTZIYSVXOJ-VCHYOVAHSA-N","16738509",NA,"PDBC04681","730291","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=CC=CC=C4NC3=O","HLQZLTFBZSHQAM-RIYZIHGNSA-N","5471476",NA,"PDBC04682","711616","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-fluoro-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-fluoro-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC(=C4)F)NC3=O","RHVYKQQCYVAQEM-VGOFMYFVSA-N","16735296",NA,"PDBC04683","734185","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1-methylindol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1-methylindol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC(=C4)O)N(C3=O)C","GDHDTCVRELNOPC-OVCLIPMQSA-N","5473064",NA,"PDBC04684","723554","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC(=C4)O)NC3=O","UIWDYTKMXZAVAX-VGOFMYFVSA-N","5473070",NA,"PDBC04685","723559","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one","","CC1=CC2=C(C=C1O)C(=CC3=C(NC4=C3C=C(C(=C4)C)OC)Cl)C(=O)N2","JLYILVOUFBTGIX-MKMNVTDBSA-N","5473071",NA,"PDBC04686","723560","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC(=C4)OC)NC3=O","JARQRNKMCPAXLT-OVCLIPMQSA-N","5471477",NA,"PDBC04687","711617","Present"
-"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=C(NC4=C3C=C(C(=C4)C)OC)Cl)C(=O)N2","QSXUXHMUBGNSAC-VIZOYTHASA-N","5471478",NA,"PDBC04688","711618","Present"
-"(3E)-3-[(2-Methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(2-Methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)C3=CC=CC=C3)C=C4C5=CC=CC=C5NC4=O","TWDDLWLECWRWMF-LFIBNONCSA-N","5471420",NA,"PDBC04689","711075","Present"
-"(3E)-3-[(2-Phenylimidazo[1,2-a]pyridin-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(E)-3-((2-phenylimidazo[1,2-a]pyridin-3-yl)methylene)ind...","","C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C=C4C5=CC=CC=C5NC4=O","RRTSKFSSNXSRIR-SAPNQHFASA-N","72724457",NA,"PDBC04690","761116","Present"
-"(3E)-3-[(3,4-Dihydroxyphenyl)methylidene]-6-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(3,4-Dihydroxyphenyl)methylidene]-6-phenylchromen-4-one","","C1C(=CC2=CC(=C(C=C2)O)O)C(=O)C3=C(O1)C=CC(=C3)C4=CC=CC=C4","ASDKBBJVMJRBTF-LICLKQGHSA-N","45029091",NA,"PDBC04691","745449","Present"
-"(3E)-3-[(3-Hydroxy-4-methoxyphenyl)methylidene]-6-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(3-Hydroxy-4-methoxyphenyl)methylidene]-6-phenylchromen-4-one","","COC1=C(C=C(C=C1)C=C2COC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4)O","DSONWLRQZRHITK-WOJGMQOQSA-N","45028952",NA,"PDBC04692","745002","Present"
-"(3E)-3-[(3-Methoxyphenyl)methylidene]-6-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(3-Methoxyphenyl)methylidene]-6-phenylchromen-4-one","","COC1=CC=CC(=C1)C=C2COC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4","SXMJWISNXZLPLB-XDHOZWIPSA-N","45028951",NA,"PDBC04693","745001","Present"
-"(3E)-3-[(3-Phenacyloxyphenyl)methylidene]chromen-4-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(3-Phenacyloxyphenyl)methylidene]chromen-4-one","","C1C(=CC2=CC(=CC=C2)OCC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4O1","YEQLMEGOIOLLAD-CPNJWEJPSA-N","45028754",NA,"PDBC04694","744059","Present"
-"(3E)-3-[(4-Aminopyridin-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(4-Aminopyridin-3-yl)methylidene]-1H-indol-2-one","","C1=CC=C2C(=C1)C(=CC3=C(C=CN=C3)N)C(=O)N2","JJUDRSCKEUFZRX-YRNVUSSQSA-N","10243230",NA,"PDBC04695","737705","Present"
-"(3E)-3-[(4-Chlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide","","","","","","","","","","","","","","","","","","","","(3E)-3-[(4-Chlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide","","COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C(=CC3=CC=C(C=C3)Cl)CC2)N4CCOCC4","ZQUHGTRKRAMSPD-NBVRZTHBSA-N","2337642",NA,"PDBC04696","744092","Present"
-"(3E)-3-[(4-Hydroxyphenyl)methylidene]-6-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(4-Hydroxyphenyl)methylidene]-6-phenylchromen-4-one","","C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(O1)C=CC(=C3)C4=CC=CC=C4","GCNFPNHAWYJBGT-LDADJPATSA-N","45028950",NA,"PDBC04697","744999","Present"
-"(3E)-3-[(5-Bromo-1H-indol-3-yl)methylidene]-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","(E)-3-((5-bromo-1H-indol-3-yl)methylene)indolin-2-one","","C1=CC=C2C(=C1)C(=CC3=CNC4=C3C=C(C=C4)Br)C(=O)N2","WYWURHNIPAJGSG-VGOFMYFVSA-N","2356797",NA,"PDBC04698","763701","Present"
-"(3E)-3-[(5-Methoxy-2-phenyl-phenyl)hydrazono]piperidin-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(5-Methoxy-2-phenyl-phenyl)hydrazono]piperidin-2-one","","COC1=CC(=C(C=C1)C2=CC=CC=C2)NN=C3CCCNC3=O","SCELXIZLFUUWNK-CAPFRKAQSA-N","5930141",NA,"PDBC04699","628009","Present"
-"(3E)-3-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","C1CSC2=NC(=C(N21)C=C3C4=CC=CC=C4NC3=O)Cl","DROHEAVJULOCPY-VQHVLOKHSA-N","5471406",NA,"PDBC04700","711061","Present"
-"(3E)-3-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(N=C4N3CCS4)Cl","OCLBXBKISVEMEB-JXMROGBWSA-N","5471409",NA,"PDBC04701","711064","Present"
-"(3E)-3-[(6-Chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(6-Chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)Cl)C=C3C4=C(C=CC(=C4)OC)NC3=O","NWKUSGLWXLQPKG-IZZDOVSWSA-N","5471421",NA,"PDBC04702","711076","Present"
-"(3E)-3-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","C1=CC=C2C(=C1)C(=CC3=C(N=C4N3C=CS4)Cl)C(=O)N2","JLTIPTKNMTUOBO-VQHVLOKHSA-N","10542358",NA,"PDBC04703","726899","Present"
-"(3E)-3-[(6-Methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(6-Methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=C(N2CCSC2=N1)C=C3C4=CC=CC=C4NC3=O","RUVXASPVCVHMNH-DHZHZOJOSA-N","5471407",NA,"PDBC04704","711062","Present"
-"(3E)-3-[(6-Methylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(6-Methylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one","","CC1=C(N2C=CSC2=N1)C=C3C4=CC=CC=C4NC3=O","OKOBUJBJGIGFLK-DHZHZOJOSA-N","10755270",NA,"PDBC04705","726902","Present"
-"(3E)-3-[(6-Methylpyridin-2-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(6-Methylpyridin-2-yl)methylidene]-1H-indol-2-one","","CC1=NC(=CC=C1)C=C2C3=CC=CC=C3NC2=O","LFWFCMAIFMJWAX-UKTHLTGXSA-N","5473200",NA,"PDBC04706","724431","Present"
-"(3E)-3-[(6-Phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(6-Phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","C1CSC2=NC(=C(N21)C=C3C4=CC=CC=C4NC3=O)C5=CC=CC=C5","CZRPIVSYORGKSF-NTCAYCPXSA-N","5471408",NA,"PDBC04707","711063","Present"
-"(3E)-3-[(6-Phenylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[(6-Phenylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one","","C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=C4C5=CC=CC=C5NC4=O","AKDLJYXQWHRAPB-NTCAYCPXSA-N","10450131",NA,"PDBC04708","726900","Present"
-"(3E)-3-[1-[6-[(1E)-1-(2-Oxo-1H-indol-3-ylidene)ethyl]pyridin-2-yl]ethylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[1-[6-[(1E)-1-(2-Oxo-1H-indol-3-ylidene)ethyl]pyridin-2-yl]ethylidene]-1H-indol-2-one","","CC(=C1C2=CC=CC=C2NC1=O)C3=NC(=CC=C3)C(=C4C5=CC=CC=C5NC4=O)C","HBRBXOLSBCEMGO-HOFJZWJUSA-N","5473213",NA,"PDBC04709","724447","Present"
-"(3E)-3-[2-[(1R)-2,2-Dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[2-[(1R)-2,2-Dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one","","CC1(CCCC(=C)C1CC=C2CCOC2=O)C","NXLLBYJRCKRKNN-UWUHSAQLSA-N","5468844",NA,"PDBC04710","677577","Present"
-"(3E)-3-[2-[6a,10b-Dimethyl-8-methylidene-3-(4-methylsulfanylphenyl)-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-4-hydroxyoxolan-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[2-[6a,10b-Dimethyl-8-methylidene-3-(4-methylsulfanylphenyl)-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-4-hydroxyoxolan-2-one","","CC12CCC3C(C1CCC(=C)C2CC=C4C(COC4=O)O)(COC(O3)C5=CC=C(C=C5)SC)C","QLMUCSZAVLLXPB-KEBDBYFISA-N","54613250",NA,"PDBC04711","750037","Present"
-"(3E)-3-[9-Anthryl(chloro)methylene]isobenzofuran-1-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[9-Anthryl(chloro)methylene]isobenzofuran-1-one","","C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=C4C5=CC=CC=C5C(=O)O4)Cl","ATVGZQGJWVXZJF-QURGRASLSA-N","3004941",NA,"PDBC04712","664741","Present"
-"(3E)-3-[Bromo-(3,4-dichlorophenyl)methylene]isobenzofuran-1-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[Bromo-(3,4-dichlorophenyl)methylene]isobenzofuran-1-one","","C1=CC=C2C(=C1)C(=C(C3=CC(=C(C=C3)Cl)Cl)Br)OC2=O","ZQFZNUGBXGOFGL-BUHFOSPRSA-N","3004922",NA,"PDBC04713","663313","Present"
-"(3E)-3-[Bromo-(4-methoxyphenyl)methylene]isobenzofuran-1-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[Bromo-(4-methoxyphenyl)methylene]isobenzofuran-1-one","","COC1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=O)O2)Br","RNRMFMQECBCXRM-CCEZHUSRSA-N","3004921",NA,"PDBC04714","663311","Present"
-"(3E)-3-[Chloro(1-naphthyl)methylene]isobenzofuran-1-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[Chloro(1-naphthyl)methylene]isobenzofuran-1-one","","C1=CC=C2C(=C1)C=CC=C2C(=C3C4=CC=CC=C4C(=O)O3)Cl","AOLCWLQXYXCEHR-ISLYRVAYSA-N","3004512",NA,"PDBC04715","657735","Present"
-"(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)Cl)Cl)C=C4C5=CC=CC=C5NC4=O","UUFFPJHNKGPYKR-CIAFOILYSA-N","5473079",NA,"PDBC04716","723568","Present"
-"(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)Cl)Cl)C=C4C5=C(C=CC(=C5)O)NC4=O","CQEXJLAJJKJLRE-SRZZPIQSSA-N","16738494",NA,"PDBC04717","734202","Present"
-"(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-5-hydroxy-6-methyl-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-5-hydroxy-6-methyl-1H-indol-2-one","","CC1=CC2=C(C=C1O)C(=CC3=C(N(C4=C3C=C(C(=C4)C)OC)CC5=CC=C(C=C5)Cl)Cl)C(=O)N2","MDYKDNOHPAKXIN-UFFVCSGVSA-N","16738495",NA,"PDBC04718","734203","Present"
-"(3E)-3-[[2-Chloro-5-methoxy-1-[(4-methoxyphenyl)methyl]-6-methylindol-3-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[2-Chloro-5-methoxy-1-[(4-methoxyphenyl)methyl]-6-methylindol-3-yl]methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)OC)Cl)C=C4C5=CC=CC=C5NC4=O","PBYUTVKJIHUECR-LPYMAVHISA-N","5473081",NA,"PDBC04719","723570","Present"
-"(3E)-3-[[2-Chloro-5-methoxy-6-methyl-1-[(2-nitrophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[2-Chloro-5-methoxy-6-methyl-1-[(2-nitrophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3[N+](=O)[O-])Cl)C=C4C5=CC=CC=C5NC4=O","YVQBHLKQOPELMJ-UDWIEESQSA-N","5473080",NA,"PDBC04720","723569","Present"
-"(3E)-3-[[2-Chloro-5-methoxy-6-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]indol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[2-Chloro-5-methoxy-6-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]indol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC(=C(C(=C3)OC)OC)OC)Cl)C=C4C5=C(C=CC(=C5)O)NC4=O","YLFKEARFNZKJSN-CIAFOILYSA-N","45028221",NA,"PDBC04721","741774","Present"
-"(3E)-3-[[3-(4-Methoxyphenoxy)phenyl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[3-(4-Methoxyphenoxy)phenyl]methylidene]-1H-indol-2-one","","COC1=CC=C(C=C1)OC2=CC=CC(=C2)C=C3C4=CC=CC=C4NC3=O","SMVBZIJGFMSINQ-XSFVSMFZSA-N","5473180",NA,"PDBC04722","724350","Present"
-"(3E)-3-[[6-(2,5-Dimethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[6-(2,5-Dimethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","COC1=CC(=C(C=C1)OC)C2=C(N3CCSC3=N2)C=C4C5=CC=CC=C5NC4=O","KLSFQANGDMDDCW-NTCAYCPXSA-N","5471186",NA,"PDBC04723","709320","Present"
-"(3E)-3-[[6-(2,5-Dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1-methylindol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[6-(2,5-Dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1-methylindol-2-one","","CC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3)OC)OC)C=C4C5=C(C=CC(=C5)OC)N(C4=O)C","KRKGARCBNUBNMN-LDADJPATSA-N","24205813",NA,"PDBC04724","736790","Present"
-"(3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl]methylene]-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl]methylene]-1,3-dihydro-2H-indol-2-one","","COC1=CC(=C(C=C1)OC)C2=C(N3C=CSC3=N2)C=C4C5=CC=CC=C5NC4=O","PGJDVPMBHANYQF-NTCAYCPXSA-N","10024110",NA,"PDBC04725","726896","Present"
-"(3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl]methylene]-5-methoxy-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(N=C4N3C=CS4)C5=C(C=CC(=C5)OC)OC","GBJXMKYXAPJYSX-FOWTUZBSSA-N","10812683",NA,"PDBC04726","726897","Present"
-"(3E)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one","","CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C=C4C5=CC=CC=C5NC4=O","YLLMBFRLPCWIHH-XNTDXEJSSA-N","24204572",NA,"PDBC04727","732191","Present"
-"(3E)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C=C4C5=CC=CC=C5NC4=O","LMDQYKKGNZYMBB-MHWRWJLKSA-N","24204573",NA,"PDBC04728","732192","Present"
-"(3E)-3-[[6-(4-Methylphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(E)-3-((6-p-tolyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-...","","CC1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)C4=CC(=C(C(=C4)OC)OC)OC)C=C5C6=CC=CC=C6NC5=O","UODDARANFVGVNL-HMMYKYKNSA-N","155808415",NA,"PDBC04729","775003","Present"
-"(3E)-3-[[6-(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[6-(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","CC1=C(N2C=CSC2=N1)C3=C(N4C=CSC4=N3)C=C5C6=CC=CC=C6NC5=O","GQUFJESWAIQYQS-JLHYYAGUSA-N","45028236",NA,"PDBC04730","741799","Present"
-"(3E)-3-[[6-[(E)-(2-Oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-3-[[6-[(E)-(2-Oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one","","C1=CC=C2C(=C1)C(=CC3=NC(=CC=C3)C=C4C5=CC=CC=C5NC4=O)C(=O)N2","PMZOKGKZIAJGIK-KLCVKJMQSA-N","5473214",NA,"PDBC04731","724448","Present"
-"(3E)-4-Chloro-3-(pyridin-3-ylmethylidene)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-4-Chloro-3-(pyridin-3-ylmethylidene)-1H-indol-2-one","","C1=CC2=C(C(=C1)Cl)C(=CC3=CN=CC=C3)C(=O)N2","LPKZBXNKZNSIQO-JXMROGBWSA-N","5473204",NA,"PDBC04732","724435","Present"
-"(3E)-4-Chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-4-Chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C=CC=C4Cl)NC3=O","IPOVLKUAZROXPJ-MDWZMJQESA-N","16735298",NA,"PDBC04733","732187","Present"
-"(3E)-4-Chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-4-Chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC=C4Cl)NC3=O","SYGPBMZOSVBCHF-KPKJPENVSA-N","5473069",NA,"PDBC04734","723558","Present"
-"(3E)-4-Chloro-3-[(6-chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-4-Chloro-3-[(6-chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","C1CSC2=NC(=C(N21)C=C3C4=C(C=CC=C4Cl)NC3=O)Cl","ZTQUFGCEMBJDPA-VOTSOKGWSA-N","5471412",NA,"PDBC04735","711067","Present"
-"(3E)-4-Chloro-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-4-Chloro-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)Cl)C=C3C4=C(C=CC=C4Cl)NC3=O","OXZHKIHTFOQMLM-VMPITWQZSA-N","5471424",NA,"PDBC04736","711079","Present"
-"(3E)-4-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-4-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","C1=CC2=C(C(=C1)Cl)C(=CC3=C(N=C4N3C=CS4)Cl)C(=O)N2","KJMZTMKFPOBCDK-VOTSOKGWSA-N","5471415",NA,"PDBC04737","711070","Present"
-"(3E)-4-Chloro-3-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-4-Chloro-3-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=C(N2CCSC2=N1)C=C3C4=C(C=CC=C4Cl)NC3=O","OASIFGPUHPYMIA-VQHVLOKHSA-N","5471413",NA,"PDBC04738","711068","Present"
-"(3E)-4-Chloro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-4-Chloro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=C(N2C=CSC2=N1)C=C3C4=C(C=CC=C4Cl)NC3=O","XKYLJWUVRFQIJW-VQHVLOKHSA-N","5471416",NA,"PDBC04739","711071","Present"
-"(3E)-4-Chloro-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-4-Chloro-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","C1CSC2=NC(=C(N21)C=C3C4=C(C=CC=C4Cl)NC3=O)C5=CC=CC=C5","OJNMTRMWQYMLCT-ACCUITESSA-N","5471414",NA,"PDBC04740","711069","Present"
-"(3E)-4-Chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-4-Chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)Cl)Cl)C=C4C5=C(C=CC=C5Cl)NC4=O","BIDFFADORGNONY-YBFXNURJSA-N","16738492",NA,"PDBC04741","734200","Present"
-"(3E)-4-Methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide","","","","","","","","","","","","","","","","","","","","(3E)-4-Methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide","","CC1=CS(=O)(=O)CC1=CC=C(C)C","JIIDWIDUTXVHBY-YHYXMXQVSA-N","5469713",NA,"PDBC04742","691808","Present"
-"(3E)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)Cl)NC3=O","IHLARSOVCHZAGF-WUXMJOGZSA-N","5473339",NA,"PDBC04743","725098","Present"
-"(3E)-5-Chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C=CC(=C4)Cl)NC3=O","KAFBXKAMPATOPF-OVCLIPMQSA-N","16735299",NA,"PDBC04744","734205","Present"
-"(3E)-5-Chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC(=C4)Cl)NC3=O","IHDRBUNCSBKAIX-VGOFMYFVSA-N","5473068",NA,"PDBC04745","723557","Present"
-"(3E)-5-Chloro-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(E)-5-chloro-3-((2-methyl-6-phenylimidazo[2,1-b][1,3,4]t...","","CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)C=C4C5=C(C=CC(=C5)Cl)NC4=O","YCAUCMRZOWDLGR-XNTDXEJSSA-N","155814528",NA,"PDBC04746","765820","Present"
-"(3E)-5-Chloro-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(E)-5-chloro-3-((5-methoxy-1H-indol-3-yl)methylene)indol...","","COC1=CC2=C(C=C1)NC=C2C=C3C4=C(C=CC(=C4)Cl)NC3=O","XEYOUOOKYMTFFI-GIDUJCDVSA-N","155811189",NA,"PDBC04747","763660","Present"
-"(3E)-5-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","C1=CC2=C(C=C1Cl)C(=CC3=C(N=C4N3C=CS4)Cl)C(=O)N2","SYVFVHQDJFUSLB-RMKNXTFCSA-N","5471427",NA,"PDBC04748","711082","Present"
-"(3E)-5-Chloro-3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(E)-5-chloro-3-((2-(4-fluorophenyl)imidazo[1,2-a]pyridin...","","C1=CC2=NC(=C(N2C=C1)C=C3C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=C(C=C5)F","JOFNURXHUOYLGE-SFQUDFHCSA-N","72724590",NA,"PDBC04749","761121","Present"
-"(3E)-5-Chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)Cl)Cl)C=C4C5=C(C=CC(=C5)Cl)NC4=O","MEKYKNTWHBWPSY-SRZZPIQSSA-N","16738493",NA,"PDBC04750","734201","Present"
-"(3E)-5-Chloro-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Chloro-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","COC1=CC(=C(C=C1)OC)C2=C(N3C=CSC3=N2)C=C4C5=C(C=CC(=C5)Cl)NC4=O","RJSQUSGXNDLQKH-RVDMUPIBSA-N","24205818",NA,"PDBC04751","736794","Present"
-"(3E)-5-Fluoro-3-[[6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(E)-5-fluoro-3-((6-(4-methoxyphenyl)-2-(3,4,5-trimethoxy...","","COC1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)C4=CC(=C(C(=C4)OC)OC)OC)C=C5C6=C(C=CC(=C6)F)NC5=O","WQOZLWSKOKEMKF-XSFVSMFZSA-N","155805256",NA,"PDBC04752","774982","Present"
-"(3E)-5-Hydroxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Hydroxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one","","C1=CC2=C(C=C1O)C(=CC3=CC=NC=C3)C(=O)N2","ZMRXQNFGLVDCPC-KPKJPENVSA-N","24203975",NA,"PDBC04753","730295","Present"
-"(3E)-5-Methoxy-3-(pyridin-3-ylmethylidene)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Methoxy-3-(pyridin-3-ylmethylidene)-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=O)C2=CC3=CN=CC=C3","NFNBEERTMYKIFV-NTUHNPAUSA-N","5473198",NA,"PDBC04754","724429","Present"
-"(3E)-5-Methoxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Methoxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=O)C2=CC3=CC=NC=C3","AXUOLMPHNRLWPJ-MDWZMJQESA-N","24203974",NA,"PDBC04755","730294","Present"
-"(3E)-5-Methoxy-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(E)-5-methoxy-3-((5-methoxy-1H-indol-3-yl)methylene)indo...","","COC1=CC2=C(C=C1)NC=C2C=C3C4=C(C=CC(=C4)OC)NC3=O","AUIOIYNOQUKXNU-FRKPEAEDSA-N","155805131",NA,"PDBC04756","763663","Present"
-"(3E)-5-Methoxy-3-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Methoxy-3-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=C(N2CCSC2=N1)C=C3C4=C(C=CC(=C4)OC)NC3=O","CWUAVZUKTPHJFR-XYOKQWHBSA-N","5471410",NA,"PDBC04757","711065","Present"
-"(3E)-5-Methoxy-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Methoxy-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=C(N2C=CSC2=N1)C=C3C4=C(C=CC(=C4)OC)NC3=O","MJQYBQSWXFHJAH-XYOKQWHBSA-N","10662822",NA,"PDBC04758","726901","Present"
-"(3E)-5-Methoxy-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Methoxy-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(N=C4N3CCS4)C5=CC=CC=C5","JBLPDOGPZUCBDZ-FOWTUZBSSA-N","5471411",NA,"PDBC04759","711066","Present"
-"(3E)-5-Methoxy-3-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Methoxy-3-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(N=C4N3C=CS4)C5=CC=CC=C5","OLZFTZXFZIDYAL-FOWTUZBSSA-N","10809361",NA,"PDBC04760","728903","Present"
-"(3E)-5-Methoxy-3-[[6-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Methoxy-3-[[6-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=O)C2=CC3=NC(=CC=C3)C=C4C5=C(C=CC(=C5)OC)NC4=O","RSCGWRIXPSNEOA-CLVAPQHMSA-N","5473208",NA,"PDBC04761","724440","Present"
-"(3E)-5-Methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=CC=CC=N3)C(=O)N2","CEARWSYVVFRUEQ-MDWZMJQESA-N","5473201",NA,"PDBC04762","724432","Present"
-"(3E)-5-Methoxy-6-methyl-3-(pyridin-3-ylmethylidene)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Methoxy-6-methyl-3-(pyridin-3-ylmethylidene)-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=CN=CC=C3)C(=O)N2","SXDBOMRCCADVJU-NTUHNPAUSA-N","5473215",NA,"PDBC04763","724449","Present"
-"(3E)-5-Methoxy-6-methyl-3-(quinolin-4-ylmethylidene)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3E)-5-Methoxy-6-methyl-3-(quinolin-4-ylmethylidene)-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=CC=NC4=CC=CC=C34)C(=O)N2","MNUZJHSPAUVVOG-MHWRWJLKSA-N","24203972",NA,"PDBC04764","730292","Present"
-"(3E)-6-Bromo-2,7-dichloro-3-(chloromethylidene)-7-methyloct-1-ene;(3Z)-6-bromo-2,7-dichloro-3-(chloromethylidene)-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","2-(3-bromo-4-chloro-4-methylpentyl)-1,3-dichloro-1,3-but...","","CC(C)(C(CCC(=CCl)C(=C)Cl)Br)Cl.CC(C)(C(CCC(=CCl)C(=C)Cl)Br)Cl","USYDWFYCSNPBNV-CENQFKCESA-N","5468044",NA,"PDBC04765","662824","Present"
-"(3E)-6-Chloro-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(E)-6-chloro-3-((2-methyl-6-phenylimidazo[2,1-b][1,3,4]t...","","CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)C=C4C5=C(C=C(C=C5)Cl)NC4=O","FISYECGKXKDVAD-XNTDXEJSSA-N","155811218",NA,"PDBC04766","767074","Present"
-"(3E)-6-Chloro-3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(E)-6-chloro-3-((2-(4-fluorophenyl)imidazo[1,2-a]pyridin...","","C1=CC2=NC(=C(N2C=C1)C=C3C4=C(C=C(C=C4)Cl)NC3=O)C5=CC=C(C=C5)F","NUXMVACUYNHGTN-SFQUDFHCSA-N","72724591",NA,"PDBC04767","761130","Present"
-"(3E)-6-Chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one","","","","","","","","","","","","","","","","","","","","(3E)-6-Chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one","","C1C(=CC2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=C(O1)C=CC(=C4)Cl","YBSWZBLVUHORAI-LICLKQGHSA-N","45028757",NA,"PDBC04768","744062","Present"
-"(3E)-6-Methoxy-3-[[3-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one","","","","","","","","","","","","","","","","","","","","(3E)-6-Methoxy-3-[[3-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one","","COC1=CC2=C(C=C1)OCC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C2=O","HSCOZMKANIYMSG-WOJGMQOQSA-N","45028756",NA,"PDBC04769","744061","Present"
-"(3E)-6-Methoxy-3-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one","","","","","","","","","","","","","","","","","","","","(3E)-6-Methoxy-3-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one","","COC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C=C3COC4=C(C3=O)C=C(C=C4)OC","NAHVUTFVYPGCET-CPNJWEJPSA-N","45028755",NA,"PDBC04770","744060","Present"
-"(3E,10R,13S,17S)-10,13,17-Trimethyl-3-(2-piperidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol","","","","","","","","","","","","","","","","","","","","(3E,10R,13S,17S)-10,13,17-Trimethyl-3-(2-piperidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol","","CC12CCC(=NOCCN3CCCCC3)C=C1CCC4C2CCC5(C4CCC5(C)O)C","RGCPGGMPBRETQV-KZAMWSQRSA-N","9572023",NA,"PDBC04771","690779","Present"
-"(3E,10R,13S,17S)-10,13,17-Trimethyl-3-(2-pyrrolidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol","","","","","","","","","","","","","","","","","","","","(3E,10R,13S,17S)-10,13,17-Trimethyl-3-(2-pyrrolidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol","","CC12CCC(=NOCCN3CCCC3)C=C1CCC4C2CCC5(C4CCC5(C)O)C","PDWOMRLKPDZJKU-YEDICODJSA-N","9572022",NA,"PDBC04772","690778","Present"
-"(3E,10R,13S,17S)-3-[2-(Diethylamino)ethoxyimino]-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol","","","","","","","","","","","","","","","","","","","","(3E,10R,13S,17S)-3-[2-(Diethylamino)ethoxyimino]-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol","","CCN(CC)CCON=C1CCC2(C3CCC4(C(C3CCC2=C1)CCC4(C)O)C)C","NUFNKKADZZCMSV-YEDICODJSA-N","9572021",NA,"PDBC04773","690777","Present"
-"(3E,11E)-6,8,14,16-Tetramethyl-2,6,8,10,14,16-hexazatricyclo[10.4.0.04,9]hexadeca-1,3,9,11-tetraene-5,7,13,15-tetrone","","","","","","","","","","","","","","","","","","","","Dipyrimido[4,5-b:4',5'-f][1,5]diazocine-2,4,8,10-tetrone...","","CN1C2=NC=C3C(=NC=C2C(=O)N(C1=O)C)N(C(=O)N(C3=O)C)C","UQMZWLGTMUSOGR-PEQHWWSRSA-N","6141027",NA,"PDBC04774","639020","Present"
-"(3E,5E)-1,1-Dimethyl-3,5-bis(pyridin-4-ylmethylidene)piperidin-1-ium-4-one;iodide","","","","","","","","","","","","","","","","","","","","(3E,5E)-1,1-Dimethyl-3,5-bis(pyridin-4-ylmethylidene)piperidin-1-ium-4-one;iodide","","C[N+]1(CC(=CC2=CC=NC=C2)C(=O)C(=CC3=CC=NC=C3)C1)C.[I-]","GNVHAMQNHLOROG-OYJDLGDISA-M","5388502",NA,"PDBC04775","636678","Present"
-"(3E,5E)-1-Acetyl-3,5-bis[[4-(dimethylamino)phenyl]methylidene]piperidin-4-one","","","","","","","","","","","","","","","","","","","","(3E,5E)-1-Acetyl-3,5-bis[[4-(dimethylamino)phenyl]methylidene]piperidin-4-one","","CC(=O)N1CC(=CC2=CC=C(C=C2)N(C)C)C(=O)C(=CC3=CC=C(C=C3)N(C)C)C1","JAFZMHPHVMQUTH-NNFYUIBOSA-N","5387104",NA,"PDBC04776","620459","Present"
-"(3E,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]- 1-(1-...","","C=CC(=O)N1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C1","GFARQYQBWJLZMW-JYFOCSDGSA-N","5351435",NA,"PDBC04777","687852","Present"
-"(3E,5E)-1-Ethyl-3,5-bis(2,4,5-trimethoxybenzylidene)piperidin-4-one","","","","","","","","","","","","","","","","","","","","3,5-Bis(2,4,5-trimethoxy benzylidene)-Nethyl-4-piperidone","","CCN1CC(=CC2=CC(=C(C=C2OC)OC)OC)C(=O)C(=CC3=CC(=C(C=C3OC)OC)OC)C1","GSEJAJDKHDQZJG-LQGKIZFRSA-N","5472750",NA,"PDBC04778","721452","Present"
-"(3E,5E)-1-Methyl-3,5-bis(2-thienylmethylene)piperidin-4-ol","","","","","","","","","","","","","","","","","","","","(3E,5E)-1-Methyl-3,5-bis(2-thienylmethylene)piperidin-4-ol","","CN1CC(=CC2=CC=CS2)C(C(=CC3=CC=CS3)C1)O","RVAIPRMTUHGUHJ-QHKWOANTSA-N","5470913",NA,"PDBC04779","706210","Present"
-"(3E,5E)-1-Methyl-3,5-bis[(2-nitrophenyl)methylene]piperidin-4-one","","","","","","","","","","","","","","","","","","","","Piperidinone, 1-methyl-3,5-bis[(2-nitrophenyl) methylene...","","CN1CC(=CC2=CC=CC=C2[N+](=O)[O-])C(=O)C(=CC3=CC=CC=C3[N+](=O)[O-])C1.Cl","GGNXSOIQEKGRDP-UUHMWQSOSA-N","5468196",NA,"PDBC04780","666038","Present"
-"(3E,5E)-1-Methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one","","","","","","","","","","","","","","","","","","","","(3E,5E)-1-methyl-3,5-bis(3,4,5-trimethoxybenzylidene)pip...","","CN1CC(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C1","OGEWTDITEXRGCF-GCBPPVMSSA-N","2327500",NA,"PDBC04781","765609","Present"
-"(3E,5E)-1-Methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(3E,5E)-1-Methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-4-one;hydrochloride","","CN1CC(=CC2=CC=C(C=C2)SC)C(=O)C(=CC3=CC=C(C=C3)SC)C1.Cl","JQSQUUHICWNTBI-VIWUVAGBSA-N","54602249",NA,"PDBC04782","621887","Present"
-"(3E,5E)-1-[[1-[2-[(7-Chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methyl]-3,5-bis[(3,4-dimethoxyphenyl)methylidene]piperidin-4-one","","","","","","","","","","","","","","","","","","","","(3E,5E)-1-((1-(2-(7-chloroquinolin-4-ylamino)ethyl)-1H-1...","","COC1=C(C=C(C=C1)C=C2CN(CC(=CC3=CC(=C(C=C3)OC)OC)C2=O)CC4=CN(N=N4)CCNC5=C6C=CC(=CC6=NC=C5)Cl)OC","VSFLSYUPVKPQAV-JQMRRPHZSA-N","73051088",NA,"PDBC04783","766056","Present"
-"(3E,5E)-3,5-Bis[(4-chlorophenyl)methylidene]-1-[[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methyl]piperidin-4-one","","","","","","","","","","","","","","","","","","","","(3E,5E)-3,5-bis(4-chlorobenzylidene)-1-((1-(2-(7-chloroq...","","C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1CC4=CN(N=N4)CCNC5=C6C=CC(=CC6=NC=C5)Cl","KNXRNURZRRHJQF-FEZYOMQXSA-N","73051091",NA,"PDBC04784","766057","Present"
-"(3E,5E)-3,5-Bis[(4-chlorophenyl)methylidene]piperidin-4-one","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-bis[(4-chlorophenyl)methylene]-, (E,E)-","","C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1","LBNHBGZGFHYLAA-KAVGSWPWSA-N","5469265",NA,"PDBC04785","685124","Present"
-"(3E,5E)-3,5-Bis[(4-fluorophenyl)methylidene]piperidin-4-one","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-bis[(4-fluorophenyl)methylene]-, (E,E)-","","C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1","ASJBYMPCFLKDGD-KAVGSWPWSA-N","5469267",NA,"PDBC04786","685126","Present"
-"(3E,5E)-3,5-Bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one","","","","","","","","","","","","","","","","","","","","4H-Thiopyran-4-one, tetrahydro-3,5-bis[(4-nitrophenyl)me...","","C1C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])CS1(=O)=O","SSAMIOWVUGBIJK-VULZFCBJSA-N","6477008",NA,"PDBC04787","144303","Present"
-"(3E,5E)-3,5-Bis[(4-nitrophenyl)methylidene]piperidin-4-one","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]-, (E,E)-","","C1C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])CN1","YUYPWAMLWZVHAE-KAVGSWPWSA-N","5469266",NA,"PDBC04788","685125","Present"
-"(3E,5E)-3,5-Dibenzylidene-1,1-dimethylpiperidin-1-ium-4-one;bromide","","","","","","","","","","","","","","","","","","","","(3E,5E)-3,5-Dibenzylidene-1,1-dimethylpiperidin-1-ium-4-one;bromide","","C[N+]1(CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1)C.[Br-]","CGOPQMRJDUJOKV-WKLZLTIDSA-M","5386935",NA,"PDBC04789","618768","Present"
-"(3E,5E)-3,5-Dibenzylidene-1-(3-pyrrolidin-1-ylpropanoyl)piperidin-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 1-[3-(1-pyrrolyl)-1-oxopropyl]-3,5- bis(...","","C1CCN(C1)CCC(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2.Cl","OEHGGFQULIKGAM-WKTUUNTHSA-N","5388498",NA,"PDBC04790","636675","Present"
-"(3E,5E)-3,5-Dibenzylidene-1-[(E)-3-phenylprop-2-enoyl]piperidin-4-one","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-bis(phenylmethylene)-1-(1-oxo-3-phen...","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C=CC4=CC=CC=C4","VWRVRYWIRXZQDO-XWAIBNHXSA-N","5842258",NA,"PDBC04791","638634","Present"
-"(3E,5E)-3,5-Dibenzylidenepiperidin-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC609964","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1.Cl","TUYFFZOIQLBJAY-OYJDLGDISA-N","5386427",NA,"PDBC04792","609964","Present"
-"(3E,5E)-4,5-Dinitroocta-3,5-diene","","","","","","","","","","","","","","","","","","","","NSC693134","","CCC=C(C(=CCC)[N+](=O)[O-])[N+](=O)[O-]","CTRFQIDYMJKGFC-KQQUZDAGSA-N","5469836",NA,"PDBC04793","693134","Present"
-"(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-Dihydroxy-6-[(2R)-2-[(2R,4S,5S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3-methoxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-10-[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one","","","","","","","","","","","","","","","","","","","","(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-Dihydroxy-6-[(2R)-2-[(2R,4S,5S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3-met","","CC1C=C(C=C(C=C(C(=O)OC(CC(C(CCC=C(C=CC1OC2C(C(C(C(O2)C)OC)O)O)C)O)OC)C(C3(C(C(C(C(O3)CC(COC)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)O)OC)(C)O)C)O)C)O)O)C)C)C","WILMROCKORZEMQ-AHZIBIADSA-N","5471806",NA,"PDBC04794","713799","Present"
-"(3E,5E,9E)-6,10,12-Trimethyltrideca-3,5,9-trien-2-one","","","","","","","","","","","","","","","","","","","","(3E,5E,9E)-6,10,12-Trimethyltrideca-3,5,9-trien-2-one","","CC(C)CC(=CCCC(=CC=CC(=O)C)C)C","IEWGQFMOWVUPCU-WJCSPQFJSA-N","5472294",NA,"PDBC04795","717800","Present"
-"(3E,6E)-3-(2-Oxo-1H-indol-3-ylidene)-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3E,6E)-3-(2-Oxo-1H-indol-3-ylidene)-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=C4C5=CC=CC=C5NC4=O)C(=O)N3","PGCSTFGLXYCKJU-DERSFYRZSA-N","5472002",NA,"PDBC04796","715812","Present"
-"(3E,6E)-3-Benzylidene-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3E,6E)-3-Benzylidene-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=CC=C4)C(=O)N3","VWXCKVBYLVZUDU-JFMUQQRKSA-N","5471488",NA,"PDBC04797","711720","Present"
-"(3E,6E)-3-[(4-Chlorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3E,6E)-3-[(4-Chlorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=C(C=C4)Cl)C(=O)N3","WPJZPZBORZAEIH-ADYPVIEZSA-N","5471996",NA,"PDBC04798","715806","Present"
-"(3E,6E)-3-[(4-Fluorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3E,6E)-3-[(4-Fluorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=C(C=C4)F)C(=O)N3","HQPQWCNQDIUAPF-ADYPVIEZSA-N","5471995",NA,"PDBC04799","715805","Present"
-"(3E,6E)-3-[(4-Hydroxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3E,6E)-3-[(4-Hydroxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=C(C=C4)O)C(=O)N3","VMRWAZNKRMHWEJ-ADYPVIEZSA-N","5471489",NA,"PDBC04800","711721","Present"
-"(3E,6E)-3-[(4-Methoxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3E,6E)-3-[(4-Methoxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","COC1=CC=C(C=C1)C=C2C(=O)NC(=CC3=NC=C(C=C3)OCC4=CC=CC=C4)C(=O)N2","ZYBROJMDRVVDRZ-MSKUYSOUSA-N","5471994",NA,"PDBC04801","715804","Present"
-"(3E,6E)-3-[(4-Nitrophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3E,6E)-3-[(4-Nitrophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione","","C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N3","RSACHGINDYIKER-ADYPVIEZSA-N","5471998",NA,"PDBC04802","715808","Present"
-"(3E,6E)-3-[(5-Phenylmethoxypyridin-2-yl)methylidene]-6-(pyridin-3-ylmethylidene)piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3E,6E)-3-[(5-Phenylmethoxypyridin-2-yl)methylidene]-6-(pyridin-3-ylmethylidene)piperazine-2,5-dione","","C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CN=CC=C4)C(=O)N3","FSSUZFFQYUGQQC-HGEIODPWSA-N","5472001",NA,"PDBC04803","715811","Present"
-"(3E,6E)-3-[(5-Phenylmethoxypyridin-2-yl)methylidene]-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3E,6E)-3-[(5-Phenylmethoxypyridin-2-yl)methylidene]-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione","","C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=CS4)C(=O)N3","KKCZFEVBVDCMBU-AYKLPDECSA-N","5472000",NA,"PDBC04804","715810","Present"
-"(3E,7E)-4,7-Dimethoxy-1,1,1,10,10,10-hexachloro-3,7-decadiene-2,9-dione","","","","","","","","","","","","","","","","","","","","(3E,7E)-4,7-Dimethoxy-1,1,1,10,10,10-hexachloro-3,7-decadiene-2,9-dione","","COC(=CC(=O)C(Cl)(Cl)Cl)CCC(=CC(=O)C(Cl)(Cl)Cl)OC","HPKGONPDLFYGCN-KQQUZDAGSA-N","5472240",NA,"PDBC04805","717162","Present"
-"(3EZ)-3-[3,7-dichloro-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3EZ)-3-[3,5-bis(trifluoromethyl)-benzylidene]-6,7-dichl...","","C1=CC(=C(C2=C1C(=CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N2)Cl)Cl","WOUHHDSUCGPNJQ-VZUCSPMQSA-N","45029459",NA,"PDBC04806","746890","Present"
-"(3R)-3-Acetoxy-6-(acetylamino)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione","","","","","","","","","","","","","","","","","","","","(3R)-3-Acetoxy-6-(acetylamino)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione","","CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C)NC(=O)C","BKCMRHQLNZNMFR-SECBINFHSA-N","385309",NA,"PDBC04807","676425","Present"
-"(3R)-3-Chloro-4-(3-chloro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4S)-3-chloro-4-(3-chloro-4-methoxyphenyl)-1-(3,4,5-t...","","COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)Cl)Cl","NEWUFNXTKKEDNA-TZHYSIJRSA-N","155808914",NA,"PDBC04808","788820","Present"
-"(3R)-3-Chloro-4-(4-methylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4S)-3-chloro-4-(4-(methylthio)phenyl)-1-(3,4,5-trime...","","COC1=CC(=CC(=C1OC)OC)N2C(C(C2=O)Cl)C3=CC=C(C=C3)SC","KTBCTQSJQQXDMB-TZHYSIJRSA-N","155810771",NA,"PDBC04809","788818","Present"
-"(3R)-3-Hydroxy-4-(4-methylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4S)-3-hydroxy-4-(4-(methylthio)phenyl)-1-(3,4,5-trim...","","COC1=CC(=CC(=C1OC)OC)N2C(C(C2=O)O)C3=CC=C(C=C3)SC","IDOZAZATJGCQJE-ZYMOGRSISA-N","155811678",NA,"PDBC04810","788816","Present"
-"(3R)-3-Phenyl-5-methyl-7-acetyl-1H-pyrrolo[1,2-c]thiazole","","","","","","","","","","","","","","","","","","","","(3R)-3-Phenyl-5-methyl-7-acetyl-1H-pyrrolo[1,2-c]thiazole","","CC1=CC(=C2N1C(SC2)C3=CC=CC=C3)C(=O)C","OIKCXGHQGUMKGY-OAHLLOKOSA-N","402122",NA,"PDBC04811","715980","Present"
-"(3R)-3-[(2,5,9-Trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methylcarbamoyl]-1,4,7,10,13,16-hexaoxacyclooctadecane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","(3R)-3-[(2,5,9-Trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methylcarbamoyl]-1,4,7,10,13,16-hexaoxacyclooctadecane-2-carboxylic acid","","CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CNC(=O)C4C(OCCOCCOCCOCCOCCO4)C(=O)O)C","OOLJVBOWQVUKQQ-AVJYQCBHSA-N","360864",NA,"PDBC04812","623542","Present"
-"(3R)-3alpha-Phenyl-3aalpha,4,5,6-tetrahydro-4-oxo-5-[(S)-1-phenylethyl]-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (3R,3aS)-4-oxo-3-phenyl-5-[(1S)-1-phenylethyl]-3a,6-dihydro-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylate","","CC(C1=CC=CC=C1)N2CC3=CC=CC=C3N4C(C2=O)C(C(=N4)C(=O)OC)C5=CC=CC=C5","YIZDAMGHIYYQGL-WYRQLCSISA-N","401219",NA,"PDBC04813","714423","Present"
-"(3R)-4-(3-Fluoro-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4R)-4-(3-fluoro-4-methoxyphenyl)-3-phenyl-1-(3,4,5-t...","","COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)F","SXXFGTCCPRGGCJ-WTQRLHSKSA-N","155812520",NA,"PDBC04814","788819","Present"
-"(3R)-4-(4-Methylsulfanylphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4R)-4-(4-(methylthio)phenyl)-3-phenyl-1-(3,4,5-trime...","","COC1=CC(=CC(=C1OC)OC)N2C(C(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)SC","SPTYKJSYNPOTDC-WTQRLHSKSA-N","155815256",NA,"PDBC04815","788817","Present"
-"(3R)-6,8-Dimethoxy-5-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-1,3-dimethyl-3,4-dihydroisoquinoline","","","","","","","","","","","","","","","","","","","","(3R)-6,8-Dimethoxy-5-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-1,3-dimethyl-3,4-dihydroisoquinoline","","CC1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C4C=C(C=C(C4=C(C=C3)OCC5=CC=CC=C5)OC)C","SPLVHMBWVFXIPA-HXUWFJFHSA-N","398456",NA,"PDBC04816","708232","Present"
-"(3R)-Astragaluquinone","","","","","","","","","","","","","","","","","","","","(3R)-Astragaluquinone","","COC1=C(C2=C(CC(CO2)C3=CC(=O)C=C(C3=O)O)C=C1)OC","ZPNCZRGNATWPGL-JTQLQIEISA-N","73200",NA,"PDBC04817","681146","Present"
-"(3R,11S,14R,22S)-6,9,17,20-Tetramethoxy-11,22-dimethyl-13-oxo-1,12-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-2-carbonitrile","","","","","","","","","","","","","","","","","","","","Pyrazino[2,1-b:5,4-b']diisoquinolin-14(13aH)-one, 6-cyan...","","CC1C2=C(C=CC(=C2CC3N1C(=O)C4CC5=C(C=CC(=C5C(N4C3C#N)C)OC)OC)OC)OC","LJEFZPSNBVJXJH-LRANKOCBSA-N","384758",NA,"PDBC04818","675012","Present"
-"(3R,3Ar,6R,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan","","","","","","","","","","","","","","","","","","","","Mannitol, 1,4:3,6-dianhydro-2,5-bis-O-(2,3-epoxypropyl)-...","","C1C(O1)COC2COC3C2OCC3OCC4CO4","JEBWAOITKHXCBF-IVWMKOAXSA-N","21139668",NA,"PDBC04819","56845","Present"
-"(3R,3Ar,8aR)-2,3,3a-trimethyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]furan-4-one","","","","","","","","","","","","","","","","","","","","(3R,3Ar,8aR)-2,3,3a-trimethyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]furan-4-one","","CC1C(OC2C1(C(=O)CCCC2)C)C","GMOOOMGCLWQSKR-VCZYFZCGSA-N","357668",NA,"PDBC04820","617185","Present"
-"(3R,3As)-3-(3,4-dimethoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","(3R,3As)-3-(3,4-dimethoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide","","COC1=C(C=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2C(=S)N)OC","HLPODFJXOOBSPL-BEFAXECRSA-N","5467469",NA,"PDBC04821","652817","Present"
-"(3R,3As)-3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","(3R,3As)-3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide","","C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=C(C=C4)Cl)C(=S)N","VUUOBSLBXXLNEM-WBVHZDCISA-N","5467467",NA,"PDBC04822","652815","Present"
-"(3R,3As)-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole-2-carboxamide","","","","","","","","","","","","","","","","","","","","(3R,3As)-3-phenyl-3a,4-dihydrochromeno[4,3-c]pyrazole-2(3H)-carboxamide","","C1C2C(N(N=C2C3=CC=CC=C3O1)C(=O)N)C4=CC=CC=C4","WIQHINSZZKPWDP-CJNGLKHVSA-N","374676",NA,"PDBC04823","652810","Present"
-"(3R,3As)-3-phenyl-3a,4-dihydro-3H-thiochromeno[4,3-c]pyrazole-2-carboxamide","","","","","","","","","","","","","","","","","","","","(3R,3As)-3-phenyl-3a,4-dihydrothiochromeno[4,3-c]pyrazole-2(3H)-carboxamide","","C1C2C(N(N=C2C3=CC=CC=C3S1)C(=O)N)C4=CC=CC=C4","UWDGZLVIPODGSF-CJNGLKHVSA-N","374673",NA,"PDBC04824","652807","Present"
-"(3R,3As)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","(3R,3As)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide","","C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CS4)C(=S)N","KZLXGYHTRBEPKL-IUODEOHRSA-N","5467468",NA,"PDBC04825","652816","Present"
-"(3R,3As)-N,3-diphenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","(3R,3As)-N,3-diphenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide","","C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5","BWNLLTCTWCABGR-GGAORHGYSA-N","5467470",NA,"PDBC04826","652818","Present"
-"(3R,4As,8S,9aR,9bR)-4a-hydroxy-2-methyl-3-[(E)-non-1-enyl]-8-[(2R,3S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7,8,9,9a,9b-hexahydrocyclopenta[f]chromen-5-one","","","","","","","","","","","","","","","","","","","","(3R,4aS,8R,9aR,9bR)-4a-hydroxy-2-methyl-3-((E)-non-1-en-...","","CCCCCCCC=CC1C(=CC2C3CC(CC3=CC(=O)C2(O1)O)OC4C(C(C(C(O4)CO)O)O)O)C","HVSCBXKUDRKNQZ-XNPNBZJJSA-N","155805496",NA,"PDBC04827","794948","Present"
-"(3R,4R)-3-Amino-4-(4-ethylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4S)-3-amino-4-(4-(ethylthio)phenyl)-1-(3,4,5-trimeth...","","CCSC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)N","KUUGAHMZWHBSDX-QZTJIDSGSA-N","155816363",NA,"PDBC04828","791053","Present"
-"(3R,4R)-3-Benzyl-4-[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one","","","","","","","","","","","","","","","","","","","","(3R,4R)-3-Benzyl-4-[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one","","COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC=CC=C3)OC","ZSKMPIQKIFCKLW-DLBZAZTESA-N","384868",NA,"PDBC04829","675464","Present"
-"(3R,4R)-3-Chloro-4-(4-methoxy-3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4S)-3-chloro-4-(4-methoxy-3-methylphenyl)-1-(3,4,5-t...","","CC1=C(C=CC(=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)Cl)OC","KFODYAUSULKTSX-QZTJIDSGSA-N","155813412",NA,"PDBC04830","791049","Present"
-"(3R,4R)-4-(3-Fluoro-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4S)-4-(3-fluoro-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-...","","COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)OC4=CC=CC=C4)F","AEXUAHIBNSABRV-ISKFKSNPSA-N","155807117",NA,"PDBC04831","791048","Present"
-"(3R,4R)-4-(4-Ethoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4S)-4-(4-ethoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxy...","","CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)OC4=CC=CC=C4","BNIOJJYXZKOCHE-ILBGXUMGSA-N","155811906",NA,"PDBC04832","791052","Present"
-"(3R,4R)-4-(4-Ethylsulfanylphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4S)-4-(4-(ethylthio)phenyl)-3-hydroxy-1-(3,4,5-trime...","","CCSC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)O","RUIOTNLYRNVOJJ-QZTJIDSGSA-N","155815472",NA,"PDBC04833","791050","Present"
-"(3R,4R)-4-[(3,4-Dimethoxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]tetrahydrofuran-2-one","","","","","","","","","","","","","","","","","","","","(3r,4r)-4-(3,4-Dimethoxybenzyl)-3-(4-hydroxybenzyl)dihydrofuran-2(3h)-one","","COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC=C(C=C3)O)OC","WYJJTUCSAJEFDD-DOTOQJQBSA-N","384869",NA,"PDBC04834","675465","Present"
-"(3R,4R,7R,10S)-3-Hydroxy-10-methyl-1-azatricyclo[5.2.1.04,10]decan-2-one","","","","","","","","","","","","","","","","","","","","(3R,4R,7R,10S)-3-Hydroxy-10-methyl-1-azatricyclo[5.2.1.04,10]decan-2-one","","CC12C3CCC1C(C(=O)N2CC3)O","LXULSPLKUUHRCA-JIOCBJNQSA-N","394166",NA,"PDBC04835","697402","Present"
-"(3R,4S)-3-Fluoro-4-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","(3R,4S)-3-fluoro-4-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-t...","","COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)F)F","VWZNJRLTGMVJIF-SJORKVTESA-N","155809212",NA,"PDBC04836","792959","Present"
-"(3R,4S)-3-Methyl-4-[(1S)-3-methylidene-1-phenylmethoxyoct-7-ynyl]oxetan-2-one","","","","","","","","","","","","","","","","","","","","(3r,4s)-4-[(1s)-1-Benzyloxy-3-methylene-oct-7-ynyl]-3-methyl-oxetan-2-one","","CC1C(OC1=O)C(CC(=C)CCCC#C)OCC2=CC=CC=C2","RPKDAYUYRHZRPA-NEWSRXKRSA-N","396105",NA,"PDBC04837","701653","Present"
-"(3R,4S,5R)-3-Acetyl-5-ethoxy-3,4-dimethyloxolan-2-one","","","","","","","","","","","","","","","","","","","","(3R,4S,5R)-3-Acetyl-5-ethoxy-3,4-dimethyloxolan-2-one","","CCOC1C(C(C(=O)O1)(C)C(=O)C)C","ABNYWYXJKSMNKE-GTNGPMTGSA-N","6712083",NA,"PDBC04838","655620","Present"
-"(3R,5R,5As,7aalpha,11balpha)-3,5-Epidioxy-5a,6alpha-epoxy-3beta-isopropyl-8,11abeta-dimethyltetradecahydronaphtho[2,1-c]oxepin-8alpha-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (1R,2S,4R,6R,7R,11S,12R,15R)-7,11-dimethyl-15-propan-2-yl-3,16,17,18-tetraoxapentacyclo[13.2.1.02,4.02,12.06,11]octadecane-7-carboxylate","","CC(C)C12CCC3C4(CCCC(C4CC5C3(O5)C(O1)OO2)(C)C(=O)OC)C","MZRIDUZEWYOSMJ-FBKCGWEPSA-N","6712813",NA,"PDBC04839","715092","Present"
-"(3R,5R,7R,8R,9R,10S,13S,17R)-17-[(2S)-1-[(4R,5S)-5-(2-Hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol","","","","","","","","","","","","","","","","","","","","(3R,5R,7R,8R,9R,10S,13S,17R)-17-[(2S)-1-[(4R,5S)-5-(2-Hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanth","","CC(CC1C(OC(O1)(C)C)C(C)(C)O)C2CC=C3C2(CCC4C3(C(CC5C4(CCC(C5(C)C)O)C)O)C)C","CZELCPQXJQJLLJ-HFFQLPFPSA-N","385548",NA,"PDBC04840","676816","Present"
-"(3R,5S)-Fluvastatin(1-)","","","","","","","","","","","","","","","","","","","","fluvastatin sodium (usan)","","CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)[O-])O)O)C3=CC=C(C=C3)F","FJLGEFLZQAZZCD-MCBHFWOFSA-M","37888681",NA,"PDBC04841","765948","Present"
-"(3R,6R)-2,5-Dimethoxy-3-propan-2-yl-10-prop-1-en-2-yl-1,4-diazaspiro[5.5]undeca-1,4,9-triene","","","","","","","","","","","","","","","","","","","","(3r,6r)-10-Isopropenyl-3-isopropyl-2,5-dimethoxy-1,4-diazaspiro[5.5]undeca-1,4,9-triene","","CC(C)C1C(=NC2(CCC=C(C2)C(=C)C)C(=N1)OC)OC","ZIGOLVUMLHFELM-RHSMWYFYSA-N","397609",NA,"PDBC04842","705950","Present"
-"(3R,6R,8As)-6-[(2S)-1-[(4-methoxyphenyl)methoxy]but-3-en-2-yl]-2,2,8a-trimethyl-3-phenyl-6-prop-2-enyl-7,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyridine-5-thione","","","","","","","","","","","","","","","","","","","","(3R,6R,8As)-6-[(2S)-1-[(4-methoxyphenyl)methoxy]but-3-en-2-yl]-2,2,8a-trimethyl-3-phenyl-6-prop-2-enyl-7,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyridine-5-thione","","CC1(C(N2C(=S)C(CCC2(O1)C)(CC=C)C(COCC3=CC=C(C=C3)OC)C=C)C4=CC=CC=C4)C","GOMKQAQKVFRLPO-HFLYTVKESA-N","401382",NA,"PDBC04843","714798","Present"
-"(3R,7R)-3-(Benzyloxymethyl)-5-oxo-7-[(tert-butyloxycarbonyl)amino]-8-(benzyloxy)-4-azaoctanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (3R)-3-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoyl]amino]-4-phenylmethoxybutanoate","","CC(C)(C)OC(=O)NC(CC(=O)NC(CC(=O)OC)COCC1=CC=CC=C1)COCC2=CC=CC=C2","FFUKDCYFLVOXTB-DNQXCXABSA-N","403122",NA,"PDBC04844","717709","Present"
-"(3R,7R,11R)-3,7-Bis(benzyloxymethyl)-5,9-dioxo-11-[(tert-butyloxycarbonyl)amino]-12-(benzyloxy)-4,8-diazadodecanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (3R)-3-[[(3R)-3-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoyl]amino]-4-phenylmethoxybutanoyl]amino]-4-phenylmethoxybutanoate","","CC(C)(C)OC(=O)NC(CC(=O)NC(CC(=O)NC(CC(=O)OC)COCC1=CC=CC=C1)COCC2=CC=CC=C2)COCC3=CC=CC=C3","NNXBGONTNMPWBR-CKOYEXALSA-N","403121",NA,"PDBC04845","717708","Present"
-"(3R,7R,11R)-3,7-Bis[2-(methylthio)ethyl]-5,9-dioxo-11-[(tert-butyloxycarbonyl)amino]-13-(methylthio)-4,8-diazatridecanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (3R)-3-[[(3R)-3-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoyl]amino]-5-methylsulfanylpentanoyl]amino]-5-methylsulfanylpentanoate","","CC(C)(C)OC(=O)NC(CCSC)CC(=O)NC(CCSC)CC(=O)NC(CCSC)CC(=O)OC","VCPBVKHVLJCGIW-FHWLQOOXSA-N","403118",NA,"PDBC04846","717705","Present"
-"(3R,7S,8S)-3-Hydroxy-8-(3,4,5-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one","","","","","","","","","","","","","","","","","","","","(3R,7S,8S)-3-Hydroxy-8-(3,4,5-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one","","COC1=CC(=CC(=C1OC)OC)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O","OUONRLWTLLDLLY-UEXGIBASSA-N","6711325",NA,"PDBC04847","618871","Present"
-"(3S)-(2,3,4,6-Tetra-O-pivaloyl-beta-D-glucopyranosyloxy)-butanoic acid","","","","","","","","","","","","","","","","","","","","(3S)-(2,3,4,6-Tetra-O-pivaloyl-.beta.-D-glucopyranosylox...","","CC(CC(=O)O)OC1C(C(C(C(O1)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C","QRNHOFMFSBYYME-XMNVBZPHSA-N","389869",NA,"PDBC04848","686497","Present"
-"(3S)-1,3-Dimethyl-1-phenylphospholan-1-ium;bromide","","","","","","","","","","","","","","","","","","","","NSC616268","","CC1CC[P+](C1)(C)C2=CC=CC=C2.[Br-]","JQERYCTZNNEJRR-BSGBVQJMSA-M","357440",NA,"PDBC04849","616268","Present"
-"(3S)-1,4-Bis(4-methoxybenzyl)-3alpha-isopropyl-6beta-(2-propynyl)piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3s,6r)-1,4-Bis(4-methoxybenzyl)-3-(1-methylethyl)-6-prop-2-yn-1-ylpiperazine-2,5-dione","","CC(C)C1C(=O)N(C(C(=O)N1CC2=CC=C(C=C2)OC)CC#C)CC3=CC=C(C=C3)OC","OHRRBCMDVSOZPG-RPWUZVMVSA-N","399233",NA,"PDBC04850","709906","Present"
-"(3S)-1-Ethyl-2,3alpha-[carbonyl[(2S)-pyrrolidine-2alpha,1-diyl]carbonyl]-1,2,3,4-tetrahydro-beta-carboline","","","","","","","","","","","","","","","","","","","","(1S,15S)-12-Ethyl-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione","","CCC1C2=C(CC3N1C(=O)C4CCCN4C3=O)C5=CC=CC=C5N2","SJWJPJNDPKSMRX-YVZMLIKISA-N","397162",NA,"PDBC04851","704567","Present"
-"(3S)-1-[(4-Bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine;oxalic acid","","","","","","","","","","","","","","","","","","","","(3S)-1-[(4-Bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine;oxalic acid","","CC(C1CCCN(C1)CC2=CC=C(C=C2)Br)Cl.C(=O)(C(=O)O)O","YRKCBEFGIFMLRY-YLAFAASESA-N","54608918",NA,"PDBC04852","698191","Present"
-"(3S)-2,2,5,5-Tetramethylcyclohexane-1,3-diol","","","","","","","","","","","","","","","","","","","","NSC666519","","CC1(CC(C(C(C1)O)(C)C)O)C","XONJWJKVJONLNF-JAMMHHFISA-N","380800",NA,"PDBC04853","666519","Present"
-"(3S)-2-(Diphenylphosphinyl)-3alpha,6alpha-diphenyl-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","(3s,6r)-2-(Diphenylphosphoryl)-3,6-diphenyl-3,6-dihydro-2h-1,2-oxazine","","C1=CC=C(C=C1)C2C=CC(ON2P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","ZKHMWAJMPVFWDV-WUFINQPMSA-N","402153",NA,"PDBC04854","716013","Present"
-"(3S)-3-(2,3,4,6-Tetra-O-pivaloyl-beta-D-glucopyranosyloxy)-1-butanol","","","","","","","","","","","","","","","","","","","","(3S)-3-(2,3,4,6-Tetra-O-pivaloyl-.beta.-D-glucopyranosyl...","","CC(CCO)OC1C(C(C(C(O1)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C","XHDHXJYDGGPACD-JOYQUEBISA-N","389870",NA,"PDBC04855","686498","Present"
-"(3S)-3-Methyl-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one","","","","","","","","","","","","","","","","","","","","(3S)-3-Methyl-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one","","CC1COC2(N1C(=O)CC2)C3=CC=CC=C3","ZDBOTWJOWGUVAN-NKUHCKNESA-N","359369",NA,"PDBC04856","620180","Present"
-"(3S)-3-[Tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol","","","","","","","","","","","","","","","","","","","","(3S)-3-[Tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol","","CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC(CCO)C(C)(C)OCOCCOC","IABCDGQGRMGLKB-DEOSSOPVSA-N","357855",NA,"PDBC04857","617388","Present"
-"(3S)-3-[Tert-butyl(diphenyl)silyl]oxy-4-methylpentane-1,4-diol","","","","","","","","","","","","","","","","","","","","(3S)-3-[Tert-butyl(diphenyl)silyl]oxy-4-methylpentane-1,4-diol","","CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC(CCO)C(C)(C)O","VQJHELAMTAQHAQ-FQEVSTJZSA-N","357857",NA,"PDBC04858","617390","Present"
-"(3S)-3-[[2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-[5-[(2,2,2-trifluoroacetyl)amino]-1,3-oxazol-2-yl]propanoic acid;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","(3S)-3-[[2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-[5-[(2,2,2-trifluoroacetyl)amino]-1,3-oxazol-2-yl]propanoic acid;2,2,2-trifluoroacetic acid","","C1=C(OC(=N1)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)N)NC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O","OEPSLQMKYFNNBZ-WSZWBAFRSA-N","388727",NA,"PDBC04859","683781","Present"
-"(3S)-3alpha,6alpha-Bis(6-bromo-1H-indole-3-yl)piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3S,6S)-3,6-Bis(6-bromo-1H-indol-3-yl)piperazine-2,5-dione","","C1=CC2=C(C=C1Br)NC=C2C3C(=O)NC(C(=O)N3)C4=CNC5=C4C=CC(=C5)Br","ODRKYJVSPNBJMV-ROUUACIJSA-N","6712393",NA,"PDBC04860","679832","Present"
-"(3S)-3beta-Methyl-3abeta,4,5,6-tetrahydro-4-oxo-5-[(S)-1-phenylethyl]-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (3S,3aR)-3-methyl-4-oxo-5-[(1S)-1-phenylethyl]-3a,6-dihydro-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylate","","CC1C2C(=O)N(CC3=CC=CC=C3N2N=C1C(=O)OC)C(C)C4=CC=CC=C4","ZKZMFKCVXXRLTK-QEEYODRMSA-N","401220",NA,"PDBC04861","714424","Present"
-"(3S)-4-[[(2S)-1-Amino-3-[4-[[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]-difluoromethyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]-difluoromethyl]phenyl]acetyl]amino]-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","(3S)-4-[[(2S)-1-Amino-3-[4-[[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]-difluoromethyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-","","CN(CCCCCl)P(=O)(C(C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CC(=O)O)NC(=O)CC2=CC=C(C=C2)C(F)(F)P(=O)(N(C)CCCCCl)OCC3=CC=C(O3)[N+](=O)[O-])(F)F)OCC4=CC=C(O4)[N+](=O)[O-]","PRCHHYKMPJHJNI-GATXNXEKSA-N","16109466",NA,"PDBC04862","740986","Present"
-"(3S)-5-(1-Hydroxydec-9-enyl)-2-pentyloxolan-3-ol","","","","","","","","","","","","","","","","","","","","(3S)-5-(1-Hydroxydec-9-en-1-yl)-2-pentyltetrahydrofuran-3-ol","","CCCCCC1C(CC(O1)C(CCCCCCCC=C)O)O","ZPHRIOPZYRKRRG-JRVPFXOQSA-N","362024",NA,"PDBC04863","625524","Present"
-"(3S)-Benzyl-3-(2,4,6-tetra-O-pivaloyl-beta-D-glucopyranosyloxy)butanoate","","","","","","","","","","","","","","","","","","","","(3S)-Benzyl-3-(2,3,4,6-tetra-O-pivaloyl-.beta.-D- glucop...","","CC(CC(=O)OCC1=CC=CC=C1)OC2C(C(C(C(O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C","ZEHQEJIJYNWKGP-GPBXFXGDSA-N","389868",NA,"PDBC04864","686496","Present"
-"(3S)-Rel-N-Benzyl-3-benzylamino-D-aspartic acid","","","","","","","","","","","","","","","","","","","","2,3-Bis(benzylamino)succinic acid","","C1=CC=C(C=C1)CNC(C(C(=O)O)NCC2=CC=CC=C2)C(=O)O","FZEXWQSUEVTZEC-UHFFFAOYSA-N","108349",NA,"PDBC04865","679576","Present"
-"(3S,10R,13S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","(3S,10R,13S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C)O","IXKJEQQDDXKZRU-AAJXSOPVSA-N","5471809",NA,"PDBC04866","713829","Present"
-"(3S,10R,13S,16E,17E)-16-[(3,4-Dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","(3S,10R,13S,16E,17E)-16-[(3,4-Dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC)OC)C4=NO)C)O","SQVIPVHRFBDAFK-LWHFHLNYSA-N","9572381",NA,"PDBC04867","713831","Present"
-"(3S,10R,13S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","(3S,10R,13S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=NO)C)O","LXEDNOMIDWNMKP-SGMYVYEHSA-N","9572382",NA,"PDBC04868","713832","Present"
-"(3S,10R,13S,16E,17S)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol","","","","","","","","","","","","","","","","","","","","(3S,10R,13S,16E,17S)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC)OC)C4O)C)N6CCCC6","OYKSHQPWYVOWDD-VUQWHWMBSA-N","5471810",NA,"PDBC04869","713830","Present"
-"(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-3-hydroxy-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-3-hydroxy-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene-6-carboxylic acid","","CCC1CCC2C(C1C(=O)O)CCC3(C2CCC3O)C","FRDKYJIOJJFINJ-NCGRVNECSA-N","386126",NA,"PDBC04870","677758","Present"
-"(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-6-(hydroxymethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-ol","","","","","","","","","","","","","","","","","","","","(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-6-(hydroxymethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-ol","","CCC1CCC2C(C1CO)CCC3(C2CCC3O)C","GWODHQGGWOVRBA-NWVXJKNISA-N","386131",NA,"PDBC04871","677763","Present"
-"(3S,3As,6aR)-3-(8-pyridin-3-yloctyl)-1-[(Z)-14-pyridin-3-yltetradec-4-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole","","","","","","","","","","","","","","","","","","","","(3S,3As,6aR)-3-(8-pyridin-3-yloctyl)-1-[(Z)-14-pyridin-3-yltetradec-4-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole","","C1CC2C(C1)N(OC2CCCCCCCCC3=CN=CC=C3)CCCC=CCCCCCCCCCC4=CN=CC=C4","HGHNPXOXZZBCDJ-RICYTYLWSA-N","5472478",NA,"PDBC04872","719325","Present"
-"(3S,3As,6aS,7S,9S,9aR,9bS)-7-(2-cyano-2-methylpropyl)-3,9-dimethyl-6-methylidene-2,3,4,5,6a,7,8,9,9a,9b-decahydro-1H-phenalene-3a-carbonitrile","","","","","","","","","","","","","","","","","","","","(3S,3As,6aS,7S,9S,9aR,9bS)-7-(2-cyano-2-methylpropyl)-3,9-dimethyl-6-methylidene-2,3,4,5,6a,7,8,9,9a,9b-decahydro-1H-phenalene-3a-carbonitrile","","CC1CCC2C(CC(C3C2C1(CCC3=C)C#N)CC(C)(C)C#N)C","SURUYXZBULCLST-XQOOQLJESA-N","54613706",NA,"PDBC04873","750180","Present"
-"(3S,3As,7E)-7-benzylidene-5-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carbothioamide;hydrochloride","","","","","","","","","","","","","","","","","","","","(3S,3As,7E)-7-benzylidene-5-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carbothioamide;hydrochloride","","CN1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=S)N)C4=CC=CC=C4.Cl","ZYOPFPIGVXMDJN-JSZSVTAESA-N","11970010",NA,"PDBC04874","652821","Present"
-"(3S,4As)-1-methyl-3-(2-oxoazepan-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione","","","","","","","","","","","","","","","","","","","","(3S,4As)-1-methyl-3-(2-oxoazepan-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione","","CC1=C2C(CC(O1)N3CCCCCC3=O)C(=O)C4=CC=CC=C4C2=O","RXRDFYUMBDLZGP-RDJZCZTQSA-N","54611662",NA,"PDBC04875","722391","Present"
-"(3S,4As)-1-methyl-3-(2-oxopyrrolidin-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione","","","","","","","","","","","","","","","","","","","","(3S,4As)-1-methyl-3-(2-oxopyrrolidin-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione","","CC1=C2C(CC(O1)N3CCCC3=O)C(=O)C4=CC=CC=C4C2=O","QBTPDHGFSIKMSX-ZFWWWQNUSA-N","405257",NA,"PDBC04876","722389","Present"
-"(3S,4R,5S,6S)-2,3,6,7-Tetrabenzyl-1,1-dioxo-1,2,7-thiadiazepane-4,5-diol","","","","","","","","","","","","","","","","","","","","(3S,4R,5S,6S)-2,3,6,7-Tetrabenzyl-1,1-dioxo-1,2,7-thiadiazepane-4,5-diol","","C1=CC=C(C=C1)CC2C(C(C(N(S(=O)(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)O)O","NWHNYGAGGFJRFR-RTNMLALUSA-N","60147542",NA,"PDBC04877","751486","Present"
-"(3S,4R,6S)-6-[(3R,5R,7R,8R,9R,10S,13R,17R)-3,7-Dihydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4-triol","","","","","","","","","","","","","","","","","","","","(3S,4R,6S)-6-[(3R,5R,7R,8R,9R,10S,13R,17R)-3,7-Dihydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4-triol","","CC(CC(C(C(C)(C)O)O)O)C1CC=C2C1(CCC3C2(C(CC4C3(CCC(C4(C)C)O)C)O)C)C","PLBUADNCCRCBSN-VAJHLULJSA-N","385547",NA,"PDBC04878","676815","Present"
-"(3S,4S)-3-Acetyl-5-ethoxy-3,4-dimethyloxolan-2-one","","","","","","","","","","","","","","","","","","","","(3S,4S)-3-Acetyl-5-ethoxy-3,4-dimethyloxolan-2-one","","CCOC1C(C(C(=O)O1)(C)C(=O)C)C","ABNYWYXJKSMNKE-KODUZNSBSA-N","6712082",NA,"PDBC04879","655619","Present"
-"(3S,4S)-4,5-Dihydro-3,4-bis(2,4,6-trimethylbenzyl)-3-hydroxyfuran-2(3H)-one","","","","","","","","","","","","","","","","","","","","8-Hydroxy-8,8'-(2,2',4,4',6,6'-trimethyldibenzyl) butyro...","","CC1=CC(=C(C(=C1)C)CC2COC(=O)C2(CC3=C(C=C(C=C3C)C)C)O)C","MFPYXMKRBHAZCY-RDPSFJRHSA-N","405101",NA,"PDBC04880","722055","Present"
-"(3S,5R)-1-Butoxypiperidine-3,4,5-triol","","","","","","","","","","","","","","","","","","","","N-n-Butoxy-[3(e), 4(a), 5(e)]-trihydroxypiperidine","","CCCCON1CC(C(C(C1)O)O)O","NPBMWMGSLPABCK-JVHMLUBASA-N","384355",NA,"PDBC04881","674062","Present"
-"(3S,5S)-4-Benzyl-3,5-bis(2-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride","","","","","","","","","","","","","","","","","","","","(3s,5s)-4-Benzyl-3,5-bis(2-methoxyphenyl)hexahydro-1h-pyrrolizinium chloride","","COC1=CC=CC=C1C2CCC3[N+]2(C(CC3)C4=CC=CC=C4OC)CC5=CC=CC=C5.[Cl-]","OAEZYKYBOOSSBK-JPGQFNKISA-M","402114",NA,"PDBC04882","715973","Present"
-"(3S,5S)-4-Benzyl-3,5-diphenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride","","","","","","","","","","","","","","","","","","","","(3s,5s)-4-Benzyl-3,5-diphenylhexahydro-1h-pyrrolizinium chloride","","C1CC([N+]2(C1CCC2C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5.[Cl-]","UYAPNLJFPOXZNW-CZXXIYROSA-M","402112",NA,"PDBC04883","715972","Present"
-"(3S,5S)-4-[(4-Methoxyphenyl)methyl]-3,5-diphenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride","","","","","","","","","","","","","","","","","","","","(3s,5s)-4-(4-Methoxybenzyl)-3,5-diphenylhexahydro-1h-pyrrolizinium chloride","","COC1=CC=C(C=C1)C[N+]23C(CCC2C4=CC=CC=C4)CCC3C5=CC=CC=C5.[Cl-]","UFEKRYHIXFKFKL-BLSYMFMPSA-M","402110",NA,"PDBC04884","715971","Present"
-"(3S,5S,10S,13S,16E)-3-Hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","(3S,5S,10S,13S,16E)-3-Hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one","","CC12CCC(CC1CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=O)C)O","JIYRBFMCLQNJBF-QXJARTKTSA-N","5471807",NA,"PDBC04885","713827","Present"
-"(3S,5S,10S,13S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","(3S,5S,10S,13S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol","","CC12CCC(CC1CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=NO)C)O","PNBHMLGASSPCPL-VYADPPEQSA-N","9572380",NA,"PDBC04886","713828","Present"
-"(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-17-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-17-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol","","CC12CCC(CC1CCC3C2CCC4(C3CCC4C5=CC(=NN5)C(F)(F)F)C)O","VDGOOKRFIJJCSX-FNNUVKTMSA-N","256248",NA,"PDBC04887","82802","Present"
-"(3S,6R)-2-Butyl-3,6-dimethyl-3,6-dihydrothiazine 1-oxide","","","","","","","","","","","","","","","","","","","","NSC626439///NSC626440","","CCCCN1C(C=CC(S1=O)C)C","DSCPEAOYVSQZFD-RGPRDZHESA-N","362483",NA,"PDBC04888","626439///626440","Present"
-"(3S,6R,8Ar)-3-(hydroxymethyl)-6,8a-dimethyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one","","","","","","","","","","","","","","","","","","","","(3S,6R,8Ar)-3-(hydroxymethyl)-6,8a-dimethyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one","","CC1CCC2(N(C1=O)C(C(O2)C3=CC=CC=C3)CO)C","QUMCAXKLEUZCSW-MQMUZWCOSA-N","359394",NA,"PDBC04889","620237","Present"
-"(3S,6S)-3,6-Bis(5-bromo-1H-indol-3-yl)piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3S,6S)-3,6-Bis(5-bromo-1H-indol-3-yl)piperazine-2,5-dione","","C1=CC2=C(C=C1Br)C(=CN2)C3C(=O)NC(C(=O)N3)C4=CNC5=C4C=C(C=C5)Br","QPIZORHRHWBUQI-ROUUACIJSA-N","6712394",NA,"PDBC04890","679833","Present"
-"(3S,6S,7Ar)-7a-methyl-3-propan-2-yl-6-prop-2-enyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one","","","","","","","","","","","","","","","","","","","","(3S,6S,7Ar)-7a-methyl-3-propan-2-yl-6-prop-2-enyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one","","CC(C)C1COC2(N1C(=O)C(C2)CC=C)C","LPGVCHYMGORIPY-DMDPSCGWSA-N","6711340",NA,"PDBC04891","620187","Present"
-"(3S,6S,8S,12S,13R,16S,17R,20S,23S)-16-Amino-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosane-2,5,7,10,15,19,22-heptone;hydrochloride","","","","","","","","","","","","","","","","","","","","(3S,6S,8S,12S,13R,16S,17R,20S,23S)-16-Amino-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]h","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)N)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O.Cl","XSFBBAUCKZLPJO-FIXNCQTHSA-N","381473",NA,"PDBC04892","668102","Present"
-"(3S,8Ar)-3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one","","","","","","","","","","","","","","","","","","","","(3S,8Ar)-3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one","","CC12CCCC(=O)N1C(C(O2)C3=CC=CC=C3)CO","HMPLCFQDHIGQMF-XSDATEAUSA-N","359395",NA,"PDBC04893","620238","Present"
-"(3S,8R,10S,13R,17R)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olate;1-phenylbutane-1,3-dione;titanium(4+);hydrochloride","","","","","","","","","","","","","","","","","","","",".cis.-Bis(5.alpha.-cholestane-3.beta.-olato)bis(1-phenyl...","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)[O-])C)C.CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)[O-])C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Ti+4]","GMDDOQDFSMANDN-YVVVAJMBSA-N","369313",NA,"PDBC04894","641072","Present"
-"(3S,8R,9S,10R,13S,14S,16E)-3-Hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E)-3-Hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=O)C)O","PYWGMPHICGZCRW-QEAOPJSWSA-N","5470700",NA,"PDBC04895","704612","Present"
-"(3S,8R,9S,10R,13S,14S,16E)-3-Hydroxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E)-3-Hydroxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4=O)C)O","LGWMHNQKTCVZTP-MOLOORIASA-N","5472098",NA,"PDBC04896","716261","Present"
-"(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","CC12CCC(C=C1CCC3C2CCC4(C3CC(=CC5=CC=NC=C5)C4=NO)C)O","UDTGKJQQPUBJIT-SXUNDNFOSA-N","135436266",NA,"PDBC04897","716560","Present"
-"(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4=NO)C)O","XBRLAACNYRXSOQ-GRCUBCSMSA-N","9572444",NA,"PDBC04898","716262","Present"
-"(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)OC)C4=NO)C)O","ATWMXNRCCIAGGO-YMVYNNDNSA-N","9572507",NA,"PDBC04899","718185","Present"
-"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-3-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-3-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CN=CC=C5)C4O)C)O","GZFIAGMCKJOTMU-NVVIKRRJSA-N","5472448",NA,"PDBC04900","718809","Present"
-"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=NC=C5)C4O)C)O","IEAWNVNMMQIOKH-LTVDPJLQSA-N","5472323",NA,"PDBC04901","717879","Present"
-"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol","","CC12CCC(C=C1CCC3C2CCC4(C3CC(=CC5=CC=NC=C5)C4O)C)N6CCCC6","SEMWNMDNLBLNSK-RKXRPQCWSA-N","5472144",NA,"PDBC04902","716559","Present"
-"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4O)C)O","AGJAFKNMBPIZFE-QMHUUZMFSA-N","5470701",NA,"PDBC04903","704613","Present"
-"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4O)C)O","CHCOIPAZGMXLFP-VFAPJLIGSA-N","5472101",NA,"PDBC04904","716264","Present"
-"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4O)C)N6CCCC6","FLZAEJAYKQOFFH-OMKFAQTESA-N","5472376",NA,"PDBC04905","718179","Present"
-"(3S,8R,9S,10R,13S,14S,16E,17S)-16-[(4-Methoxyphenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16E,17S)-16-[(4-Methoxyphenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol","","CC12CCC(C=C1CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)OC)C4O)C)N6CCCC6","YBBAOXVTHGOFAJ-OVMRKUDESA-N","5472148",NA,"PDBC04906","716563","Present"
-"(3S,8R,9S,10R,13S,14S,16Z,17S)-16-Benzylidene-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16Z,17S)-16-Benzylidene-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=CC=C5)C4O)C)O","UJAGXNQAAJDDLR-JGIXPTSTSA-N","5470422",NA,"PDBC04907","701567","Present"
-"(3S,8R,9S,10R,13S,14S,16Z,17Z)-17-Hydrazinylidene-16-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","(3S,8R,9S,10R,13S,14S,16Z,17Z)-17-Hydrazinylidene-16-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=NO)C4=NN)C)O","PZRLBEKSVFUJLE-DZSIGOOSSA-N","135509229",NA,"PDBC04908","682443","Present"
-"(3S,8S,10R,13R)-10,13-Dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate;1-phenylbutane-1,3-dione;titanium(4+);hydrochloride","","","","","","","","","","","","","","","","","","","",".cis.-Bis(5-cholestene-3.beta.-olato)bis(1-phenylbutane-...","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Ti+4]","XXWOFGMMUIIBQX-NGORGYMYSA-N","369318",NA,"PDBC04909","641075","Present"
-"(3S,8S,10R,13S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate;1-phenylbutane-1,3-dione;titanium(4+);hydrochloride","","","","","","","","","","","","","","","","","","","",".cis.-Bis(1-phenylbutane-1,3-dionato)bis(5-pregnene-20-o...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.Cl.[Ti+4]","YFJIIPXBULHACV-PYUPRQTASA-N","369320",NA,"PDBC04910","641076","Present"
-"(3Z)-1,1-Dimethyl-3-(4-phenyl-5-phenylimino-1,2,4-dithiazolidin-3-ylidene)thiourea","","","","","","","","","","","","","","","","","","","","(3Z)-1,1-Dimethyl-3-(4-phenyl-5-phenylimino-1,2,4-dithiazolidin-3-ylidene)thiourea","","CN(C)C(=S)N=C1N(C(=NC2=CC=CC=C2)SS1)C3=CC=CC=C3","DXNDTEDEDHZVKV-BGPQIKKZSA-N","9569854",NA,"PDBC04911","622577","Present"
-"(3Z)-1,1-Dimethyl-3-[4-(pyridin-2-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea","","","","","","","","","","","","","","","","","","","","(3Z)-1,1-Dimethyl-3-[4-(pyridin-2-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea","","CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC=CC=N2","CHRQMWFBTUXQFM-RAXLEYEMSA-N","9571678",NA,"PDBC04912","645617","Present"
-"(3Z)-1,1-Dimethyl-3-[4-(pyridin-3-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea","","","","","","","","","","","","","","","","","","","","(3Z)-1,1-Dimethyl-3-[4-(pyridin-3-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea","","CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CN=CC=C2","AZOVJLSFJSTPPL-RAXLEYEMSA-N","9571679",NA,"PDBC04913","645619","Present"
-"(3Z)-1,1-Dimethyl-3-[4-(pyridin-4-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea","","","","","","","","","","","","","","","","","","","","(3Z)-1,1-Dimethyl-3-[4-(pyridin-4-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea","","CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC=NC=C2","FINOSAKDLMRRQE-RAXLEYEMSA-N","9571680",NA,"PDBC04914","645620","Present"
-"(3Z)-1-(2,6-Dichlorophenyl)-3-(1H-indol-3-ylmethylidene)indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-(2,6-Dichlorophenyl)-3-(1H-indol-3-ylmethylidene)indol-2-one","","C1=CC=C2C(=C1)C(=CN2)C=C3C4=CC=CC=C4N(C3=O)C5=C(C=CC=C5Cl)Cl","MWCSZMHDPXPXJT-ATVHPVEESA-N","49844548",NA,"PDBC04915","749916","Present"
-"(3Z)-1-(2,6-Dichlorophenyl)-3-(pyridin-2-ylmethylidene)indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-(2,6-Dichlorophenyl)-3-(pyridin-2-ylmethylidene)indol-2-one","","C1=CC=C2C(=C1)C(=CC3=CC=CC=N3)C(=O)N2C4=C(C=CC=C4Cl)Cl","FFOJPWLKCHNOJO-QINSGFPZSA-N","49845169",NA,"PDBC04916","751278","Present"
-"(3Z)-1-(2,6-Dichlorophenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-(2,6-Dichlorophenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]indol-2-one","","COC1=CC(=CC(=C1O)OC)C=C2C3=CC=CC=C3N(C2=O)C4=C(C=CC=C4Cl)Cl","FJFISXFAMYWPSK-GDNBJRDFSA-N","60147866",NA,"PDBC04917","752703","Present"
-"(3Z)-1-(2,6-Dichlorophenyl)-3-[(4-oxochromen-3-yl)methylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-(2,6-Dichlorophenyl)-3-[(4-oxochromen-3-yl)methylidene]indol-2-one","","C1=CC=C2C(=C1)C(=CC3=COC4=CC=CC=C4C3=O)C(=O)N2C5=C(C=CC=C5Cl)Cl","HHZMLXUEMCFXBW-ATVHPVEESA-N","49844091",NA,"PDBC04918","750510","Present"
-"(3Z)-1-(2,6-Dichlorophenyl)-3-[[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]methylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-(2,6-Dichlorophenyl)-3-[[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]methylidene]indol-2-one","","C1CCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=C4C5=CC=CC=C5N(C4=O)C6=C(C=CC=C6Cl)Cl)O","DJABJRMXDITREC-UQQQWYQISA-N","60148112",NA,"PDBC04919","753653","Present"
-"(3Z)-1-(Dimethylaminomethyl)-3-[[3-(4-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]imino]indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-(Dimethylaminomethyl)-3-[[3-(4-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]imino]indolin-2-one","","CN(C)CN1C2=CC=CC=C2C(=NN3C(=NNC3=S)C4=CC=NC=C4)C1=O","FQENVSRRBAHCSO-JCMHNJIXSA-N","9572272",NA,"PDBC04920","710102","Present"
-"(3Z)-1-Acetyl-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-Acetyl-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]indolin-2-one","","CC(=O)N1C2=CC=CC=C2C(=CC(=O)C3=CC=C(C=C3)Cl)C1=O","ITDAWHHKMOCDRG-GDNBJRDFSA-N","5469074",NA,"PDBC04921","682576","Present"
-"(3Z)-1-Benzyl-3-[2-oxo-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-1-benzyl-3-(2-oxo-2-(4-(2-(piperidin-1-yl)ethoxy)phe...","","C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C=C3C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5","ZNAFLZCWPQJIMC-MEFGMAGPSA-N","155810486",NA,"PDBC04922","795438","Present"
-"(3Z)-1-Methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-Methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","CN1C2=CC=CC=C2C(=CC3=CC(=C(C(=C3)OC)OC)OC)C1=O","PLQNNZRIXIRLMP-ZROIWOOFSA-N","5427240",NA,"PDBC04923","736803","Present"
-"(3Z)-1-Phenyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-Phenyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","COC1=CC(=CC(=C1OC)OC)C=C2C3=CC=CC=C3N(C2=O)C4=CC=CC=C4","OFHRWFXRXGUJHM-UYRXBGFRSA-N","24205823",NA,"PDBC04924","736804","Present"
-"(3Z)-1-Tert-butyl-4-[hydroxy(phenyl)methyl]-4-methyl-3-(phenylsulfanylmethylidene)pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-Tert-butyl-4-[hydroxy(phenyl)methyl]-4-methyl-3-(phenylsulfanylmethylidene)pyrrolidin-2-one","","CC1(CN(C(=O)C1=CSC2=CC=CC=C2)C(C)(C)C)C(C3=CC=CC=C3)O","NUQXMWRGUPTMEM-XDJHFCHBSA-N","5470809",NA,"PDBC04925","705328","Present"
-"(3Z)-1-[(4-Chlorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-[(4-Chlorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","COC1=CC(=CC(=C1OC)OC)C=C2C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)Cl","ULTTWEDVSRXDEM-NDENLUEZSA-N","60147487",NA,"PDBC04926","747141","Present"
-"(3Z)-1-[(4-Methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-1-[(4-Methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O","DATJBXOUJWERMT-BKUYFWCQSA-N","60147494",NA,"PDBC04927","750425","Present"
-"(3Z)-1-[(4-Methoxyphenyl)methyl]-3-[2-oxo-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(4-methoxybenzyl)-3-(2-oxo-2-(4-(2-(piperidin-1-yl...","","COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC(=O)C4=CC=C(C=C4)OCCN5CCCCC5)C2=O","DJRJSZBAPSDZKP-HFTWOUSFSA-N","155811937",NA,"PDBC04928","795436","Present"
-"(3Z)-1-[(4-Methoxyphenyl)methyl]-3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(4-methoxybenzyl)-3-(2-oxo-2-(4-(2-(pyrrolidin-1-y...","","COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC(=O)C4=CC=C(C=C4)OCCN5CCCC5)C2=O","QOFBVWMOCYOXFX-OOAXWGSJSA-N","155808598",NA,"PDBC04929","795437","Present"
-"(3Z)-1-[(4-Nitrophenyl)methyl]-3-[2-oxo-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(4-nitrobenzyl)-3-(2-oxo-2-(4-(2-(piperidin-1-yl)e...","","C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C=C3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)[N+](=O)[O-]","ADXAANDXJRLZBY-OOAXWGSJSA-N","155808963",NA,"PDBC04930","795435","Present"
-"(3Z)-2,6-Dichloro-3-(chloromethylidene)-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","(3Z)-2,6-Dichloro-3-(chloromethylidene)-7-methyloct-1-ene","","CC(C)C(CCC(=CCl)C(=C)Cl)Cl","LRKRTWUQVNVKCD-TWGQIWQCSA-N","5468473",NA,"PDBC04931","670796","Present"
-"(3Z)-2-Acetyl-3-phenacylidene-6-phenyl-1H-pyridazin-4-one","","","","","","","","","","","","","","","","","","","","(3Z)-2-Acetyl-3-phenacylidene-6-phenyl-1H-pyridazin-4-one","","CC(=O)N1C(=CC(=O)C2=CC=CC=C2)C(=O)C=C(N1)C3=CC=CC=C3","SMSBZIUKKSQWAV-AQTBWJFISA-N","5472609",NA,"PDBC04932","720432","Present"
-"(3Z)-3-(1H-Indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-(1H-Indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=CNC4=CC=CC=C43)C(=O)N2","DJZCQLOTDSVFMB-NVNXTCNLSA-N","45028054",NA,"PDBC04933","740940","Present"
-"(3Z)-3-(4-Benzyl-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene)-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","(3Z)-3-(4-Benzyl-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene)-1,1-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC=CC=C2","OEWZOYXMHZWAPJ-QBFSEMIESA-N","5917066",NA,"PDBC04934","645616","Present"
-"(3Z)-3-(Benzenesulfonylimino)-2-(4-benzylpyridin-1-ium-1-yl)-4-oxonaphthalen-1-olate","","","","","","","","","","","","","","","","","","","","(3Z)-3-(Benzenesulfonylimino)-2-(4-benzylpyridin-1-ium-1-yl)-4-oxonaphthalen-1-olate","","C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=CC=C5)[O-]","VQSHSHLMIALHJN-UHFFFAOYSA-N","9571592",NA,"PDBC04935","685894","Present"
-"(3Z)-3-(Bromomethylidene)-2,6-dichloro-7-methyloct-1-ene;(3Z)-2,6-dichloro-3-(chloromethylidene)-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","(3Z)-3-(Bromomethylidene)-2,6-dichloro-7-methyloct-1-ene;(3Z)-2,6-dichloro-3-(chloromethylidene)-7-methyloct-1-ene","","CC(C)C(CCC(=CCl)C(=C)Cl)Cl.CC(C)C(CCC(=CBr)C(=C)Cl)Cl","NBEMHONFEUUSMA-SYXDLNHMSA-N","54608172",NA,"PDBC04936","670797","Present"
-"(3Z)-3-(Furan-2-ylmethylidene)-1-phenylimidazo[1,5-a]benzimidazole","","","","","","","","","","","","","","","","","","","","(3Z)-3-(Furan-2-ylmethylidene)-1-phenylimidazo[1,5-a]benzimidazole","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CO3)C4=NC5=CC=CC=C5N24","MORKEWDFMLYVIQ-LGMDPLHJSA-N","5472490",NA,"PDBC04937","719478","Present"
-"(3Z)-3-(Nitromethylene)isoindolin-1-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-(Nitromethylene)isoindolin-1-one","","C1=CC=C2C(=C1)C(=C[N+](=O)[O-])NC2=O","QULTWTXKICJKPZ-YVMONPNESA-N","3004239",NA,"PDBC04938","640181","Present"
-"(3Z)-3-Benzylidene-6-methylheptane-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-3-Benzylidene-6-methylheptane-2,4-dione","","CC(C)CC(=O)C(=CC1=CC=CC=C1)C(=O)C","ATFMUXNHOMLTMA-UVTDQMKNSA-N","54603898",NA,"PDBC04939","46598","Present"
-"(3Z)-3-Ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine","","","","","","","","","","","","","","","","","","","","(3Z)-3-Ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine","","CC=C1CCC2C3=C(CCN2C1)C4=CC=CC=C4N3","GVGJKCCVRKFWAF-OIXVIMQBSA-N","5386991",NA,"PDBC04940","619166","Present"
-"(3Z)-3-Hydroxyimino-1,1-dioxo-benzothiophen-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-Hydroxyimino-1,1-dioxo-benzothiophen-2-one","","C1=CC=C2C(=C1)C(=NO)C(=O)S2(=O)=O","POJIANUANJZGOF-CLFYSBASSA-N","9569950",NA,"PDBC04941","628942","Present"
-"(3Z)-3-Hydroxyiminonorbornan-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-Hydroxyiminonorbornan-2-one","","C1CC2CC1C(=NO)C2=O","RFLQLLFBADZRJD-VURMDHGXSA-N","6411512",NA,"PDBC04942","631315","Present"
-"(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=C(N2C(=N1)SC(=N2)C)C=C3C4=CC=CC=C4NC3=O","PNHQBFVRTUYIFT-XFFZJAGNSA-N","24205829",NA,"PDBC04943","736811","Present"
-"(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one","","CC1=C(N2C(=N1)SC(=N2)C)C=C3C4=C(C=CC(=C4)OC)NC3=O","VSBUDAPYBIPUJQ-GHXNOFRVSA-N","24205826",NA,"PDBC04944","736808","Present"
-"(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1-methylindol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1-methylindol-2-one","","CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)O)N(C3=O)C","HDKSLTJASNZBSB-QPEQYQDCSA-N","24205836",NA,"PDBC04945","736818","Present"
-"(3Z)-3-[(2-Amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-2,5-bis(4-chlorophenyl)-4-oxo-hexanedinitrile","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(2-Amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinylidene]-2,5-bis(4-chlorophenyl)-4-oxohexanedinitrile","","C1=CC(=CC=C1C(C#N)C(=NNC2=NC(=S)NN2N)C(=O)C(C#N)C3=CC=C(C=C3)Cl)Cl","JGSXQIPIMRJNPJ-PKAZHMFMSA-N","6374931",NA,"PDBC04946","635338","Present"
-"(3Z)-3-[(2-Chloro-5-hydroxy-1H-indol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(2-Chloro-5-hydroxy-1H-indol-3-yl)methylidene]-1H-indol-2-one","","C1=CC=C2C(=C1)C(=CC3=C(NC4=C3C=C(C=C4)O)Cl)C(=O)N2","KUWIIHSTSPFZQQ-JYRVWZFOSA-N","5472245",NA,"PDBC04947","717202","Present"
-"(3Z)-3-[(2-Chloro-5-hydroxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(2-Chloro-5-hydroxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1O)C(=C(N2)Cl)C=C3C4=CC=CC=C4NC3=O","FDOYKTRXINPHEN-QPEQYQDCSA-N","5472244",NA,"PDBC04948","717201","Present"
-"(3Z)-3-[(2-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(2-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3Cl)C4=NC5=CC=CC=C5N24","XTWIHKHAKBGJQC-RGEXLXHISA-N","5472492",NA,"PDBC04949","719480","Present"
-"(3Z)-3-[(2Z)-2-Phenyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]ethylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(2-phenyl-2-((5-phenyl-1,3,4-thiadiazol-2-yl)imino)eth...","","C1=CC=C(C=C1)C2=NN=C(S2)N=C(C=C3C4=CC=CC=C4NC3=O)C5=CC=CC=C5","MUPVJGCNUBUCGC-MBHLKRKKSA-N","155808498",NA,"PDBC04950","767490","Present"
-"(3Z)-3-[(2Z)-2-[[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]imino]-2-phenylethylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-3-((Z)-2-((5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)...","","C1=CC=C(C=C1)C(=NC2=NN=C(S2)C3=CC=C(C=C3)Cl)C=C4C5=CC=CC=C5NC4=O","IOVKPVMOBMCBFC-AFHJPKRYSA-N","155806688",NA,"PDBC04951","767496","Present"
-"(3Z)-3-[(3,4-Dimethoxyphenyl)methylene]-1,5-diphenyl-pyrrolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(3,4-Dimethoxyphenyl)methylene]-1,5-diphenyl-pyrrolidine-2,4-dione","","COC1=C(C=C(C=C1)C=C2C(=O)C(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC","ASAGPBWLSSJBSS-HKWRFOASSA-N","5468074",NA,"PDBC04952","663782","Present"
-"(3Z)-3-[(3-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(3-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole","","C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)Cl)C4=NC5=CC=CC=C5N24","WULBRFKCIUKLCF-RGEXLXHISA-N","5472489",NA,"PDBC04953","719477","Present"
-"(3Z)-3-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]-5,7-dichloro-indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]-5,7-dichloro-indolin-2-one","","CC1=NN=C(N1N)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O","TXKAEZDWITVOHI-UHFFFAOYSA-N","366700",NA,"PDBC04954","635417","Present"
-"(3Z)-3-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]indolin-2-one","","CC1=NN=C(N1N)N=NC2=C(NC3=CC=CC=C32)O","BOBZKHLJPPBCGK-UHFFFAOYSA-N","366654",NA,"PDBC04955","635329","Present"
-"(3Z)-3-[(4-Amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-5,7-dichloro-indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(4-Amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-5,7-dichloro-indolin-2-one","","C1=C(C=C(C2=C1C(=C(N2)O)N=NC3=NNC(=S)N3N)Cl)Cl","SLETXGXTGUJQHH-UHFFFAOYSA-N","3004184",NA,"PDBC04956","635419","Present"
-"(3Z)-3-[(4-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(4-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5N24","GMVJFLXAPDWVMF-RGEXLXHISA-N","5472491",NA,"PDBC04957","719479","Present"
-"(3Z)-3-[(4Z)-4-[(4-Methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(4Z)-4-[(4-Methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one","","CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N=C4C5=CC=CC=C5NC4=O","UOFUWGXMINBKEP-QNGOZBTKSA-N","135436180",NA,"PDBC04958","711932","Present"
-"(3Z)-3-[(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N=C4C5=CC=CC=C5NC4=O","VYZUKZMGEPPYLN-JWGURIENSA-N","135436181",NA,"PDBC04959","711933","Present"
-"(3Z)-3-[(4Z)-5-Oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]imino-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(4Z)-5-Oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]imino-1H-indol-2-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2N=C4C5=CC=CC=C5NC4=O","AFUUNJXZBNPMDG-RGEXLXHISA-N","135436182",NA,"PDBC04960","711934","Present"
-"(3Z)-3-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]imino-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]imino-1H-indol-2-one","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N=C4C5=CC=CC=C5NC4=O","JFBUHZWSOZKUAC-MOSHPQCFSA-N","135436177",NA,"PDBC04961","711929","Present"
-"(3Z)-3-[(5-Methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5-Methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one","","CC1=CC2=C(C=C1OC)C(=CN2)C=C3C4=CC=CC=C4N(C3=O)C","ANUDEEIEJAULHM-SXGWCWSVSA-N","24205080",NA,"PDBC04962","734187","Present"
-"(3Z)-3-[(5-Methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5-Methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CN2)C=C3C4=CC=CC=C4NC3=O","CNRYKOGHRMEXKZ-NVNXTCNLSA-N","24204571",NA,"PDBC04963","732190","Present"
-"(3Z)-3-[(5-Methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]chromane-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5-Methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]chromane-2,4-dione","","CC1=CC2=C(C=C1)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","WIFJNMKIYDTKAJ-XFXZXTDPSA-N","3004466",NA,"PDBC04964","657441","Present"
-"(3Z)-3-[(5-Methyl-4-phenyl-thiazol-2-yl)hydrazono]indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5-Methyl-4-phenyl-thiazol-2-yl)hydrazono]indolin-2-one","","CC1=C(N=C(S1)N=NC2=C(NC3=CC=CC=C32)O)C4=CC=CC=C4","MZBMBWUJTBPJML-UHFFFAOYSA-N","376652",NA,"PDBC04965","657698","Present"
-"(3Z)-3-[(5-Oxo-2-thioxo-imidazolidin-1-yl)methylene]chromane-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5-Oxo-2-thioxo-imidazolidin-1-yl)methylene]chromane-2,4-dione","","C1C(=O)N(C(=S)N1)C=C2C(=O)C3=CC=CC=C3OC2=O","AGHLDPMXDVRLAZ-VURMDHGXSA-N","3004527",NA,"PDBC04966","658295","Present"
-"(3Z)-3-[(5Z)-4-(3,4-Dichlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-4-(3,4-Dichlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC(=C(C=C2)Cl)Cl","HOCWQBLTOMMNSQ-JTFWXBGUSA-N","9569865",NA,"PDBC04967","622593","Present"
-"(3Z)-3-[(5Z)-4-(3-Chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-4-(3-Chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC(=CC=C2)Cl","QLCKJVUEQCVBHK-YKVSKMSXSA-N","9569866",NA,"PDBC04968","622594","Present"
-"(3Z)-3-[(5Z)-4-(4-Chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-4-(4-Chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=C(C=C2)Cl","FOEQEQZVBLLSBB-YKVSKMSXSA-N","9569867",NA,"PDBC04969","622595","Present"
-"(3Z)-3-[(5Z)-4-Butyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethyl-thiourea","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-4-Butyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CCCCN1C(=NC(=S)N(C)C)SSC1=NC(=S)N(C)C","VCNTXUVTNPELIL-XSYHWHKQSA-N","5934800",NA,"PDBC04970","622674","Present"
-"(3Z)-3-[(5Z)-4-Cyclohexyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-4-Cyclohexyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2CCCCC2","CAOPUZXLQRIKTB-VMNXYWKNSA-N","9569864",NA,"PDBC04971","622592","Present"
-"(3Z)-3-[(5Z)-4-[4-(Dimethylamino)phenyl]-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-4-[4-(Dimethylamino)phenyl]-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CN(C)C1=CC=C(C=C1)N2C(=NC(=S)N(C)C)SSC2=NC(=S)N(C)C","GUMQXHUNOMRTJY-IQRFGFHNSA-N","9569857",NA,"PDBC04972","622582","Present"
-"(3Z)-3-[(5Z)-5-(Benzenesulfonylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-5-(Benzenesulfonylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=NS(=O)(=O)C2=CC=CC=C2)SS1)C3=CC=CC=C3","DDYHZFMYFSEZGK-YGGBKCGDSA-N","9569855",NA,"PDBC04973","622578","Present"
-"(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-(4-methoxyphenyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-(4-methoxyphenyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=C(C=C2)OC","BXJMRIJZCFXCDB-RYOQUFEFSA-N","9569860",NA,"PDBC04974","622586","Present"
-"(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-(furan-2-ylmethyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-(furan-2-ylmethyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)CC2=CC=CO2","YUEPLAIPVAONPW-DZDAAMPGSA-N","5934339",NA,"PDBC04975","622603","Present"
-"(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylurea","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylurea","","CN(C)C(=O)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=CC=C2","ICECZHHAXIVRJW-VMNXYWKNSA-N","9569869",NA,"PDBC04976","622600","Present"
-"(3Z)-3-[(Aminocarbonyl)hydrazono]-3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","(3Z)-3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-3-(carbamoylhydrazinylidene)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)C(=NNC(=O)N)C(=O)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","GQKAUXWWONXNLA-KMUKQRDJSA-N","135483955",NA,"PDBC04977","642032","Present"
-"(3Z)-3-[1-(4-Chlorophenyl)ethylidene]-1,5-diphenylpyrrolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-3-[1-(4-Chlorophenyl)ethylidene]-1,5-diphenylpyrrolidine-2,4-dione","","CC(=C1C(=O)C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","ZDXJENPFEJSTEA-PGMHBOJBSA-N","5472383",NA,"PDBC04978","718190","Present"
-"(3Z)-3-[3,5-Bis(trifluoromethyl)phenyl]imino-1,7,7-trimethyl-norbornan-2-one","","","","","","","","","","","","","","","","","","","","(3z)-3-{[3,5-Bis(trifluoromethyl)phenyl]imino}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","","CC1(C2CCC1(C(=O)C2=NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C)C","SKSSZZCUVRWMLJ-UHFFFAOYSA-N","395319",NA,"PDBC04979","699801","Present"
-"(3Z)-3-[4-(4-Chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(dimethylaminomethyl)indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[4-(4-Chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(dimethylaminomethyl)indolin-2-one","","CC1=CC=C(C=C1)C2=CC(=NC(=N2)N=C3C4=CC=CC=C4N(C3=O)CN(C)C)C5=CC=C(C=C5)Cl","BPHSRFLQQCYMJJ-FSRJSHLRSA-N","9572274",NA,"PDBC04980","710104","Present"
-"(3Z)-3-[4-(4-Chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(morpholinomethyl)indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[4-(4-Chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(morpholinomethyl)indolin-2-one","","CC1=CC=C(C=C1)C2=CC(=NC(=N2)N=C3C4=CC=CC=C4N(C3=O)CN5CCOCC5)C6=CC=C(C=C6)Cl","JRVMYDFPVPXWJX-BFYITVNDSA-N","9572275",NA,"PDBC04981","710105","Present"
-"(3Z)-3-[Bis[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[Bis[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one","","CN(C)C1=CC=C(C=C1)C(=NN=C2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)N(C)C","HPJHBOFIXACTSU-UHFFFAOYSA-N","135436345",NA,"PDBC04982","720446","Present"
-"(3Z)-3-[Hydroxy(methoxy)methylene]-8a-vinyl-decalin-2-one","","","","","","","","","","","","","","","","","","","","8a-Ethenyl-3-[hydroxy(methoxy)methylidene]octahydronaphthalen-2(1H)-one","","COC(=O)C1=C(CC2(CCCCC2C1)C=C)O","DXFMJZORWYCGFC-UHFFFAOYSA-N","54676226",NA,"PDBC04983","624380","Present"
-"(3Z)-3-[Hydroxy(phenyl)methylidene]-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-4-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[Hydroxy(phenyl)methylidene]-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-4-one","","CC1=CC(=NC2=C1C(=O)C(=C(C3=CC=CC=C3)O)N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC=C5OC)C","NKRSJOODVBVELJ-DQSJHHFOSA-N","5471801",NA,"PDBC04984","713760","Present"
-"(3Z)-3-[Hydroxy(phenyl)methylidene]-5,7-dimethyl-1,1-dioxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrido[3,2-e]thiazin-4-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[Hydroxy(phenyl)methylidene]-5,7-dimethyl-1,1-dioxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrido[3,2-e]thiazin-4-one","","CC1=CC(=NC2=C1C(=O)C(=C(C3=CC=CC=C3)O)N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)C","LIBWRIIJRAQZSU-RQZHXJHFSA-N","5471800",NA,"PDBC04985","713759","Present"
-"(3Z)-3-[[(2E,4Z)-2-Acetonylidene-5-oxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylene]chromane-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[(2E,4Z)-5-Oxo-2-(2-oxopropylidene)-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione","","CC(=O)C=C1NC(=CC=CC2=CC=CC=C2)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O","HTZDFEWGQAPOFD-UGDNDXFDSA-N","6477397",NA,"PDBC04986","658481","Present"
-"(3Z)-3-[[1-(2,6-Dichlorobenzoyl)indol-3-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[1-(2,6-Dichlorobenzoyl)indol-3-yl]methylidene]-1H-indol-2-one","","C1=CC=C2C(=C1)C(=CC3=CN(C4=CC=CC=C43)C(=O)C5=C(C=CC=C5Cl)Cl)C(=O)N2","VZFWBLNAWKREPU-ATVHPVEESA-N","49844546",NA,"PDBC04987","751864","Present"
-"(3Z)-3-[[2-(1,3-Benzoxazol-2-yl)hydrazino]methylene]tetrahydrothiophene-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[2-(1,3-Benzoxazol-2-yl)hydrazino]methylene]tetrahydrothiophene-2,4-dione","","C1C(=C(C(=O)S1)C=NNC2=NC3=CC=CC=C3O2)O","AKMYQOJKZKUDCJ-WLRTZDKTSA-N","135409216",NA,"PDBC04988","667515","Present"
-"(3Z)-3-[[3-(3,4,5-Trimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-3-((3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)methy...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=C3C4=CC=CC=C4NC3=O","YWZGSEUBCHQZRX-GDNBJRDFSA-N","136961559",NA,"PDBC04989","774962","Present"
-"(3Z)-3-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one","","CC1=CC2=C(C=C1)SCC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)Cl)C2=O","URPDJNGRNCHXJL-XDHOZWIPSA-N","45028771",NA,"PDBC04990","744076","Present"
-"(3Z)-3-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one","","C1C(=CC2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4S1","XQKKOIYEUJBQEH-LDADJPATSA-N","45028764",NA,"PDBC04991","744069","Present"
-"(3Z)-3-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one","","CC1=CC2=C(C=C1)SCC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)OC)C2=O","QAUSYDQWMOJAMW-DEDYPNTBSA-N","45028770",NA,"PDBC04992","744075","Present"
-"(3Z)-3-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one","","COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)C=C3CSC4=CC=CC=C4C3=O","WMQGVTTVSRUIAG-CPNJWEJPSA-N","45028763",NA,"PDBC04993","744068","Present"
-"(3Z)-3-[[4-(3,4-Dichlorophenyl)thiazol-2-yl]hydrazono]indolin-2-one","","","","","","","","","","","","","","","","","","","","1H-Indol-2(3H)-one,3-[4-(3,4-dichlorophenyl)-2-thiazolyl...","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl","YFMNXGKRBKNNST-UHFFFAOYSA-N","376577",NA,"PDBC04994","657589","Present"
-"(3Z)-3-[[4-(3-Nitrophenyl)thiazol-2-yl]hydrazono]indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[4-(3-Nitrophenyl)thiazol-2-yl]hydrazono]indolin-2-one","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]","TZNGUMWXTDRGMN-UHFFFAOYSA-N","4412709",NA,"PDBC04995","657568","Present"
-"(3Z)-3-[[4-(4-Chlorophenyl)-1H-pyrazol-5-yl]methylidene]-1,5-diphenylpyrrolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[4-(4-Chlorophenyl)-1H-pyrazol-5-yl]methylidene]-1,5-diphenylpyrrolidine-2,4-dione","","C1=CC=C(C=C1)C2C(=O)C(=CC3=C(C=NN3)C4=CC=C(C=C4)Cl)C(=O)N2C5=CC=CC=C5","SQTAUNOVHULWLQ-QNGOZBTKSA-N","5472384",NA,"PDBC04996","718192","Present"
-"(3Z)-3-[[4-(4-Methylphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-3-(4-p-tolylthiazol-2-ylimino)indolin-2-one","","CC1=CC=C(C=C1)C2=CSC(=N2)N=C3C4=CC=CC=C4NC3=O","UNICHHVGPQHJKL-UHFFFAOYSA-N","155812132",NA,"PDBC04997","795068","Present"
-"(3Z)-3-[[4-[(2-Hydroxynaphthalen-1-yl)diazenyl]phenyl]methylidene]oxolan-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[4-[(2-Hydroxynaphthalen-1-yl)diazenyl]phenyl]methylidene]oxolan-2-one","","C1COC(=O)C1=CC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O","INXIOKNAUPYOLQ-NQRGCLEISA-N","135502420",NA,"PDBC04998","401604","Present"
-"(3Z)-3-[[6-(2,5-Dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[6-(2,5-Dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one","","CC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3)OC)OC)C=C4C5=CC=CC=C5N(C4=O)C","YTWRJKWUAPZLGC-ATVHPVEESA-N","24206019",NA,"PDBC04999","737700","Present"
-"(3Z)-3-[[6-(2-Bromo-3,4,5-trimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[6-(2-Bromo-3,4,5-trimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)C3=CC(=C(C(=C3Br)OC)OC)OC)C=C4C5=CC=CC=C5NC4=O","HCQJJKOZXHHWNS-ZROIWOOFSA-N","45028217",NA,"PDBC05000","741769","Present"
-"(3Z)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-hydroxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-hydroxy-1H-indol-2-one","","CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C=C4C5=C(C=CC(=C5)O)NC4=O","NLMZJILKTCBQGM-SXGWCWSVSA-N","24206018",NA,"PDBC05001","737699","Present"
-"(3Z)-4,4,4-Trifluoro-3-hydroxyimino-1-(2-thienyl)butan-1-one","","","","","","","","","","","","","","","","","","","","(3Z)-4,4,4-Trifluoro-3-hydroxyimino-1-(2-thienyl)butan-1-one","","C1=CSC(=C1)C(=O)CC(=NO)C(F)(F)F","JNZBZAKYNOOCRU-GHXNOFRVSA-N","6381316",NA,"PDBC05002","700241","Present"
-"(3Z)-4-Benzoyl-3-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-5-phenylfuran-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-4-Benzoyl-3-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-5-phenylfuran-2-one","","CC(=NN=C1C(=C(OC1=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]","PIMDCIAGRLOXJQ-DCDLWSLLSA-N","9572567",NA,"PDBC05003","720407","Present"
-"(3Z)-4-Chloro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-4-Chloro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","COC1=CC(=CC(=C1OC)OC)C=C2C3=C(C=CC=C3Cl)NC2=O","QFNDMZQPAINLDZ-XFFZJAGNSA-N","24205821",NA,"PDBC05004","736797","Present"
-"(3Z)-5,7-Dichloro-3-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5,7-Dichloro-3-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one","","COC1=CC(=C(C=C1)OC)C=NN=C2C3=C(C(=CC(=C3)Cl)Cl)NC2=O","XOSPQIUARCHGCG-DNTJNYDQSA-N","135452600",NA,"PDBC05005","329278","Present"
-"(3Z)-5,7-Dichloro-3-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5,7-Dichloro-3-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one","","C1=CC=C(C(=C1)C=NN=C2C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","DZQYOAFZPRHYMC-CNHKJKLMSA-N","135493663",NA,"PDBC05006","337743","Present"
-"(3Z)-5,7-Dichloro-3-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5,7-Dichloro-3-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one","","CN(C)C1=CC=C(C=C1)C=NN=C2C3=C(C(=CC(=C3)Cl)Cl)NC2=O","JDPDRMRHHQTAMK-AWQFTUOYSA-N","135452573",NA,"PDBC05007","327697","Present"
-"(3Z)-5-(3-Aminopropyl)-3-[(E)-3-[(2R)-2-(1,3-dithiolan-2-ylmethyl)cyclopentyl]-1-hydroxyprop-2-enylidene]pyrrolidine-2,4-dione;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","(3Z)-5-(3-Aminopropyl)-3-[(E)-3-[(2R)-2-(1,3-dithiolan-2-ylmethyl)cyclopentyl]-1-hydroxyprop-2-enylidene]pyrrolidine-2,4-dione;2,2,2-trifluoroacetic acid","","C1CC(C(C1)C=CC(=C2C(=O)C(NC2=O)CCCN)O)CC3SCCS3.C(=O)(C(F)(F)F)O","JNNSXCHFXUYRQM-DWOQYYJDSA-N","54679352",NA,"PDBC05008","620626","Present"
-"(3Z)-5-(Dimethylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-(Dimethylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","CN(C)C1=CC2=C(C=C1)NC(=O)C2=CC3=CC(=C(C(=C3)OC)OC)OC","IRUNVMJSHKQLGI-NVNXTCNLSA-N","60147486",NA,"PDBC05009","747139","Present"
-"(3Z)-5-Bromo-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Bromo-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C=CC(=C4)Br)NC3=O","RHXAZNRSVNENCZ-NVNXTCNLSA-N","45028220",NA,"PDBC05010","741773","Present"
-"(3Z)-5-Bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Bromo-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one","","COC1=CC(=CC(=C1OC)OC)C=C2C3=C(C=CC(=C3)Br)NC2=O","OKBRRRLUPZOKEY-MLPAPPSSSA-N","6075235",NA,"PDBC05011","747138","Present"
-"(3Z)-5-Bromo-3-[(E)-[3-butyl-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Bromo-3-[(E)-[3-butyl-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-1H-indol-2-one","","CCCCN1C(=CSC1=NN=C2C3=C(C=CC(=C3)Br)NC2=O)C4=CC=C(C=C4)[N+](=O)[O-]","XXDWKVRVPMKVOH-NJNXFGOHSA-N","135436147",NA,"PDBC05012","710327","Present"
-"(3Z)-5-Bromo-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","1H-Indol-2-one, 5-bromo-2,3-dihydro-3-[[(4-methoxyphenyl...","","COC1=CC=C(C=C1)C(=O)C=C2C3=C(C=CC(=C3)Br)NC2=O","QGBUWAJLMMCNQF-ZROIWOOFSA-N","6509922",NA,"PDBC05013","201459","Present"
-"(3Z)-5-Chloro-1-(1-piperidylmethyl)-3-[[3-(4-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]imino]indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Chloro-1-(piperidin-1-ylmethyl)-3-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]indol-2-one","","C1CCN(CC1)CN2C3=C(C=C(C=C3)Cl)C(=NN4C(=NNC4=S)C5=CC=NC=C5)C2=O","HOOPXKBLUIMULK-ITYLOYPMSA-N","9572273",NA,"PDBC05014","710103","Present"
-"(3Z)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one","","CC1=C(N2C(=N1)SC(=N2)C)C=C3C4=C(C=CC(=C4)Cl)NC3=O","KCYKAXWZSSFVCG-WDZFZDKYSA-N","24205825",NA,"PDBC05015","736807","Present"
-"(3Z)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one","","CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)Cl)N(C3=O)C","HRWWQTGGSBWADB-QPEQYQDCSA-N","24205835",NA,"PDBC05016","736817","Present"
-"(3Z)-5-Chloro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Chloro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one","","COC1=CC(=CC(=C1OC)OC)C=C2C3=C(C=CC(=C3)Cl)NC2=O","UBHPXDOWPCUKCB-MLPAPPSSSA-N","2338588",NA,"PDBC05017","736798","Present"
-"(3Z)-5-Chloro-3-[4-(4-chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(1-piperidylmethyl)indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Chloro-3-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]imino-1-(piperidin-1-ylmethyl)indol-2-one","","CC1=CC=C(C=C1)C2=CC(=NC(=N2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCCCC5)C6=CC=C(C=C6)Cl","UJNIYUFIVZLPJN-JTHRFTPNSA-N","9572276",NA,"PDBC05018","710106","Present"
-"(3Z)-5-Chloro-3-[4-(4-chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(morpholinomethyl)indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Chloro-3-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]imino-1-(morpholin-4-ylmethyl)indol-2-one","","CC1=CC=C(C=C1)C2=CC(=NC(=N2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCOCC5)C6=CC=C(C=C6)Cl","HHTDMNZPYPMVFK-NUDFZHEQSA-N","9572277",NA,"PDBC05019","710107","Present"
-"(3Z)-5-Chloro-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Chloro-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","CC1=CC=C(C=C1)C2=C(N3C=C(SC3=N2)C)C=C4C5=C(C=CC(=C5)Cl)NC4=O","YPKICSODRGDPKQ-YVLHZVERSA-N","24205832",NA,"PDBC05020","736814","Present"
-"(3Z)-5-Chloro-3-[[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-((3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=C3C4=C(C=CC(=C4)Cl)NC3=O","CPNWKUCQXYMQCY-DHDCSXOGSA-N","136961558",NA,"PDBC05021","774960","Present"
-"(3Z)-5-Chloro-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-((3-(4-methoxyphenyl)-1H-pyrazol-5-yl)met...","","COC1=CC=C(C=C1)C2=NNC(=C2)C=C3C4=C(C=CC(=C4)Cl)NC3=O","CMNWETUIASLFMP-SXGWCWSVSA-N","136961554",NA,"PDBC05022","768423","Present"
-"(3Z)-5-Chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-(4-(4-chlorophenyl)thiazol-2-ylimino)indo...","","C1=CC(=CC=C1C2=CSC(=N2)N=C3C4=C(C=CC(=C4)Cl)NC3=O)Cl","LTWZJBVWEHLSON-UHFFFAOYSA-N","155815047",NA,"PDBC05023","795071","Present"
-"(3Z)-5-Fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Fluoro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one","","COC1=CC(=CC(=C1OC)OC)C=C2C3=C(C=CC(=C3)F)NC2=O","XINISPIAUUKSSZ-MLPAPPSSSA-N","5829927",NA,"PDBC05024","737698","Present"
-"(3Z)-5-Hydroxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Hydroxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","COC1=CC(=CC(=C1OC)OC)C=C2C3=C(C=CC(=C3)O)NC2=O","JFFWXTOQRVDLAC-MLPAPPSSSA-N","24205822",NA,"PDBC05025","736802","Present"
-"(3Z)-5-Hydroxy-3-[(5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Hydroxy-3-[(5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one","","CC1=CC2=C(C=C1OC)C(=CN2)C=C3C4=C(C=CC(=C4)O)N(C3=O)C","LTZJROJEKGEBHC-APSNUPSMSA-N","24205079",NA,"PDBC05026","734186","Present"
-"(3Z)-5-Hydroxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Hydroxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)N2","RUBHQVUAFKVOCO-MLPAPPSSSA-N","60147490",NA,"PDBC05027","747152","Present"
-"(3Z)-5-Methoxy-1-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Methoxy-1-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC)C(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O","VFAYNVOZNVEVPV-UUYOSTAYSA-N","60147492",NA,"PDBC05028","750022","Present"
-"(3Z)-5-Methoxy-1-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Methoxy-1-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one","","CN1C2=C(C=C(C=C2)OC)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C1=O","GCCAMHHZFKNLMB-NVNXTCNLSA-N","60147488",NA,"PDBC05029","747148","Present"
-"(3Z)-5-Methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","COC1=CC2=C(C=C1)NC(=O)C2=CC3=CC(=C(C(=C3)OC)OC)OC","WAFGRZZHFYLTPQ-AUWJEWJLSA-N","6279389",NA,"PDBC05030","134544","Present"
-"(3Z)-5-Methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one","","CC1=CC=C(C=C1)C2=C(N3C=C(SC3=N2)C)C=C4C5=C(C=CC(=C5)OC)NC4=O","ZQIPXXOEAXPMOU-WQRHYEAKSA-N","24205833",NA,"PDBC05031","736815","Present"
-"(3Z)-5-Methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-5-methoxy-3-((3-(4-methoxyphenyl)-1H-pyrazol-5-yl)me...","","COC1=CC=C(C=C1)C2=NNC(=C2)C=C3C4=C(C=CC(=C4)OC)NC3=O","SQMNHDOHVIIMLZ-MFOYZWKCSA-N","136961556",NA,"PDBC05032","774959","Present"
-"(3Z)-5-Methoxy-6-methyl-3-(pyridin-4-ylmethylidene)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Methoxy-6-methyl-3-(pyridin-4-ylmethylidene)-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=CC=NC=C3)C(=O)N2","XVJODMGGMORWQA-JYRVWZFOSA-N","5473149",NA,"PDBC05033","724276","Present"
-"(3Z)-5-Methoxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Methoxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)N2","VFFOLIHLLNDWCY-AUWJEWJLSA-N","24205824",NA,"PDBC05034","736806","Present"
-"(3Z)-5-Methoxy-6-methyl-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Methoxy-6-methyl-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N2","FYRVKNLWNGYEOP-MOSHPQCFSA-N","24206021",NA,"PDBC05035","737706","Present"
-"(3Z)-5-Methoxy-6-methyl-3-[(4-phenoxyphenyl)methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-5-Methoxy-6-methyl-3-[(4-phenoxyphenyl)methylidene]-1H-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N2","GELLHARTFNWRHV-MOSHPQCFSA-N","24206022",NA,"PDBC05036","737707","Present"
-"(3Z)-6-Bromo-2-chloro-3-(chloromethylidene)-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","(3Z)-6-Bromo-2-chloro-3-(chloromethylidene)-7-methyloct-1-ene","","CC(C)C(CCC(=CCl)C(=C)Cl)Br","PMNYCTFAYIBDCL-TWGQIWQCSA-N","5468472",NA,"PDBC05037","670795","Present"
-"(3Z)-6-Chloro-3-[(4-hydroxyphenyl)methylidene]thiochromen-4-one","","","","","","","","","","","","","","","","","","","","(3Z)-6-Chloro-3-[(4-hydroxyphenyl)methylidene]thiochromen-4-one","","C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(S1)C=CC(=C3)Cl","AHUGIMRREOKQIL-YRNVUSSQSA-N","25676884",NA,"PDBC05038","747168","Present"
-"(3Z)-6-Chloro-3-[[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-6-chloro-3-((3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=C3C4=C(C=C(C=C4)Cl)NC3=O","MPLUMBRBQZTMJL-DHDCSXOGSA-N","136961565",NA,"PDBC05039","774975","Present"
-"(3Z)-6-Chloro-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","(Z)-6-chloro-3-((3-(4-methoxyphenyl)-1H-pyrazol-5-yl)met...","","COC1=CC=C(C=C1)C2=NNC(=C2)C=C3C4=C(C=C(C=C4)Cl)NC3=O","SMOZMGWLNJZMEF-SXGWCWSVSA-N","136961555",NA,"PDBC05040","774958","Present"
-"(3Z)-6-Chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one","","","","","","","","","","","","","","","","","","","","(3Z)-6-Chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one","","C1C(=CC2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=C(S1)C=CC(=C4)Cl","SUZWDLZOBXAFAO-LICLKQGHSA-N","45028843",NA,"PDBC05041","744624","Present"
-"(3Z)-6-Chloro-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one","","","","","","","","","","","","","","","","","","","","(3Z)-6-Chloro-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one","","COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)C=C3CSC4=C(C3=O)C=C(C=C4)Cl","CPRVCSKKNMOCNP-WOJGMQOQSA-N","45028842",NA,"PDBC05042","744623","Present"
-"(3Z)-6-Methyl-3-[(2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-6-Methyl-3-[(2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione","","CC1=CC(=O)C(=CN2C3=CC=CC=C3NC2=S)C(=O)O1","ZDELOKFYGRWDIL-CLFYSBASSA-N","3004499",NA,"PDBC05043","657609","Present"
-"(3Z)-6-Methyl-3-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-6-Methyl-3-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione","","CC1=CC2=C(C=C1)N(C(=S)N2)C=C3C(=O)C=C(OC3=O)C","IAXHKLOGGUEKHW-YFHOEESVSA-N","3004473",NA,"PDBC05044","657455","Present"
-"(3Z)-6-Methyl-3-[(5-oxo-2-thioxo-imidazolidin-1-yl)methylene]pyran-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-6-Methyl-3-[(5-oxo-2-thioxo-imidazolidin-1-yl)methylene]pyran-2,4-dione","","CC1=CC(=O)C(=CN2C(=O)CNC2=S)C(=O)O1","RYGVFJQMSITXMC-XQRVVYSFSA-N","3004489",NA,"PDBC05045","657583","Present"
-"(3Z)-6-Methyl-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-6-Methyl-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione","","CC1=CC(=O)C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C(=O)O1","XDEVNFBVDHJJMS-TWGQIWQCSA-N","3001572",NA,"PDBC05046","657580","Present"
-"(3Z)-6-Methyl-3-[[[4-(3-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-6-Methyl-3-[[[4-(3-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione","","CC1=CC(=C(C(=O)O1)C=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])O","TYWOWIVIKNANEL-REZTVBANSA-N","135409097",NA,"PDBC05047","657715","Present"
-"(3Z)-6-Methyl-3-[[[4-(4-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione","","","","","","","","","","","","","","","","","","","","(3Z)-6-Methyl-3-[[[4-(4-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione","","CC1=CC(=C(C(=O)O1)C=NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])O","FPFDCVYBPSAVGI-REZTVBANSA-N","135409082",NA,"PDBC05048","657601","Present"
-"(3Z,10E)-3,10-Dibenzylidenecyclodecane-1,2-dione","","","","","","","","","","","","","","","","","","","","(3Z,10E)-3,10-Dibenzylidenecyclodecane-1,2-dione","","C1CCCC(=CC2=CC=CC=C2)C(=O)C(=O)C(=CC3=CC=CC=C3)CC1","GPQZWIGTGCTQJK-QGFZOGOGSA-N","6392319",NA,"PDBC05049","100267","Present"
-"(3Z,4As,4bR,8S,10aR,10bS,12aS)-3-benzylidene-8-hydroxy-10a,12a-dimethyl-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z,4As,4bR,8S,10aR,10bS,12aS)-3-benzylidene-8-hydroxy-10a,12a-dimethyl-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-2-one","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=CC=C5)C(=O)N4)C)O","RHDVSNUYCJRBKY-AJFKJGJJSA-N","5470427",NA,"PDBC05050","701572","Present"
-"(3Z,4E)-3-[(4-Chlorophenyl)hydrazono]-4-(p-tolylimino)pentan-2-one","","","","","","","","","","","","","","","","","","","","(3Z,4E)-3-[(4-Chlorophenyl)hydrazono]-4-(p-tolylimino)pentan-2-one","","CC1=CC=C(C=C1)N=C(C)C(=NNC2=CC=C(C=C2)Cl)C(=O)C","BDUQGXQYUZUWHE-ISYOXGDOSA-N","9571619",NA,"PDBC05051","690406","Present"
-"(3Z,4Z)-3,4-Bis(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2,5-dione","","","","","","","","","","","","","","","","","","","","trans, trans-.alpha.,.alpha.'-Dipiperonylidene succinic ...","","C1OC2=C(O1)C=C(C=C2)C=C3C(=CC4=CC5=C(C=C4)OCO5)C(=O)OC3=O","WLQGATXUBPNDGZ-GFIWHYBVSA-N","5387806",NA,"PDBC05052","627591","Present"
-"(3Z,5E)-1-Benzoyl-3,5-dibenzylidenepiperidin-4-one","","","","","","","","","","","","","","","","","","","","NSC766246","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C4=CC=CC=C4","OZHYSMNFNCQACV-JVBWRSBESA-N","69055994",NA,"PDBC05053","766246","Present"
-"(3Z,5Z)-1,1-Dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one;iodide","","","","","","","","","","","","","","","","","","","","(3Z,5Z)-1,1-Dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one;iodide","","C[N+]1(CC(=CC2=CC=C(C=C2)SC)C(=O)C(=CC3=CC=C(C=C3)SC)C1)C.[I-]","MQLRWPDIJRQUCM-RPQATXMZSA-M","54601651",NA,"PDBC05054","634793","Present"
-"(3Z,5Z)-3,5-Bis[(4-fluorophenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide","","","","","","","","","","","","","","","","","","","","(3Z,5Z)-3,5-Bis[(4-fluorophenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide","","C[N+]1(CC(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)C1)C.[I-]","SBBYZDYSUGGIRJ-YIQLKAPXSA-M","54608810",NA,"PDBC05055","634794","Present"
-"(3Z,5Z)-3,5-Bis[(4-methoxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide","","","","","","","","","","","","","","","","","","","","(3Z,5Z)-3,5-Bis[(4-methoxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide","","C[N+]1(CC(=CC2=CC=C(C=C2)OC)C(=O)C(=CC3=CC=C(C=C3)OC)C1)C.[I-]","OVOCUYYSNQBYJR-RPQATXMZSA-M","54608638",NA,"PDBC05056","634792","Present"
-"(3Z,5Z)-3,5-Bis[[4-(diethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide","","","","","","","","","","","","","","","","","","","","(3Z,5Z)-3,5-Bis[[4-(diethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide","","CCN(CC)C1=CC=C(C=C1)C=C2C[N+](CC(=CC3=CC=C(C=C3)N(CC)CC)C2=O)(C)C.[I-]","ZNCMAKURCNUNLQ-BJIYWVBBSA-M","54602033",NA,"PDBC05057","634791","Present"
-"(3Z,6Z)-3,6-Bis[2-(4-chlorophenyl)-2-oxoethylidene]-1,4-dioxane-2,5-dione","","","","","","","","","","","","","","","","","","","","(3Z,6Z)-3,6-Bis[2-(4-chlorophenyl)-2-oxoethylidene]-1,4-dioxane-2,5-dione","","C1=CC(=CC=C1C(=O)C=C2C(=O)OC(=CC(=O)C3=CC=C(C=C3)Cl)C(=O)O2)Cl","ZKWDEBZVPWCXGR-XFQWXJFMSA-N","5472613",NA,"PDBC05058","720437","Present"
-"(3Z,7Z,11Z,15Z)-1,2,5,6,9,10,13,14-Octathiacyclohexadeca-3,7,11,15-tetraene","","","","","","","","","","","","","","","","","","","","(3Z,7Z,11Z,15Z)-1,2,5,6,9,10,13,14-Octathiacyclohexadeca-3,7,11,15-tetraene","","C1=CSSC=CSSC=CSSC=CSS1","ZOQNXVFZKNWMJV-JCJVRDIZSA-N","5470146",NA,"PDBC05059","698127","Present"
-"(3beta,16alpha)-N-[2-(1H-Indol-3-yl)ethyl]-19-oxo-14,15-dihydro-1,14-secoeburnamenine-14-carboxamide","","","","","","","","","","","","","","","","","","","","3-[(1R,12Br)-1-ethyl-4-oxo-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide","","CCC1(CCC(=O)N2C1C3=C(CC2)C4=CC=CC=C4N3)CCC(=O)NCCC5=CNC6=CC=CC=C65","FBMYCCPNTWRVBS-XZWHSSHBSA-N","396464",NA,"PDBC05060","702438","Present"
-"(3z)-1,7,7-Trimethyl-3-(4-nitrophenyl)imino-norbornan-2-one","","","","","","","","","","","","","","","","","","","","(3z)-1,7,7-Trimethyl-3-(4-nitrophenyl)imino-norbornan-2-one","","CC1(C2CCC1(C(=O)C2=NC3=CC=C(C=C3)[N+](=O)[O-])C)C","IPFAPLVSONQKFJ-UHFFFAOYSA-N","395320",NA,"PDBC05061","699802","Present"
-"(3|A)-Cholest-5-en-3-ylpropanedioic acid","","","","","","","","","","","","","","","","","","","","(3","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C(C(=O)O)C(=O)O)C)C","JIEJBESLFFLEPM-TVABIKMWSA-N","236524",NA,"PDBC05062","39088","Present"
-"(4'S,8'R,12'S)-4'-(3,4-Dimethoxyphenyl)-5,5-dimethylspiro[1,3-dioxane-2,7'-10-oxa-1-azatricyclo[6.3.1.04,12]dodecane]","","","","","","","","","","","","","","","","","","","","(4'S,8'R,12'S)-4'-(3,4-Dimethoxyphenyl)-5,5-dimethylspiro[1,3-dioxane-2,7'-10-oxa-1-azatricyclo[6.3.1.04,12]dodecane]","","CC1(COC2(CCC3(CCN4C3C2COC4)C5=CC(=C(C=C5)OC)OC)OC1)C","ACUASSCPKHSBCV-XJABCFGWSA-N","6712560",NA,"PDBC05063","697396","Present"
-"(4(R)-(-)-Ipomeanol)","","","","","","","","","","","","","","","","","","","","(4(r)-(-)-ipomeanol)","","CC(CCC(=O)C1=COC=C1)O","RJYQLMILDVERHH-SSDOTTSWSA-N","6711830",NA,"PDBC05064","644433","Present"
-"(4(S)-(+)-Ipomeanol)","","","","","","","","","","","","","","","","","","","","(4(s)-(+)-ipomeanol)","","CC(CCC(=O)C1=COC=C1)O","RJYQLMILDVERHH-ZETCQYMHSA-N","6711829",NA,"PDBC05065","644432","Present"
-"(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2,2-diphenylacetate","","","","","","","","","","","","","","","","","","","","(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2,2-diphenylacetate","","CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C","MOXSXHMCWBNCEC-UHFFFAOYSA-N","359628",NA,"PDBC05066","620687","Present"
-"(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2-diazoacetate","","","","","","","","","","","","","","","","","","","","(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2-diazoacetate","","CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=O)C=[N+]=[N-])C","UVTZNVOXSRSBJE-UHFFFAOYSA-N","386730",NA,"PDBC05067","679277","Present"
-"(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 4-cyanobenzoate","","","","","","","","","","","","","","","","","","","","(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 4-cyanobenzoate","","CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=O)C4=CC=C(C=C4)C#N)C","IXAVJDXHMNFNMR-UHFFFAOYSA-N","390949",NA,"PDBC05068","689202","Present"
-"(4,4-Dimethyl-2,6-dioxo-cyclohexylidene)methylthiourea","","","","","","","","","","","","","","","","","","","","(4,4-Dimethyl-2,6-dioxo-cyclohexylidene)methylthiourea","","CC1(CC(=C(C(=O)C1)C=NC(=S)N)O)C","SEIUOCBMCTWJFK-LFYBBSHMSA-N","135409053",NA,"PDBC05069","657428","Present"
-"(4,4-Dimethyl-2-oxo-1-phenylpyrrolidin-3-yl) (1R,2S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate","","","","","","","","","","","","","","","","","","","","(4,4-Dimethyl-2-oxo-1-phenylpyrrolidin-3-yl) (1R,2S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate","","CC1(CN(C(=O)C1OC(=O)C2(CC3CC2C=C3)C)C4=CC=CC=C4)C","LTORIIULGWJLFO-PPVIIGLKSA-N","404136",NA,"PDBC05070","720260","Present"
-"(4,4-Diphenyl-2-phenylsulfanyl-5-thioxo-imidazol-1-yl) 3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","(4,4-Diphenyl-2-phenylsulfanyl-5-thioxo-imidazol-1-yl) 3-phenylpropanoate","","C1=CC=C(C=C1)CCC(=O)ON2C(=S)C(N=C2SC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5","RCEQRSICVSCQTF-UHFFFAOYSA-N","389392",NA,"PDBC05071","685458","Present"
-"(4,5-Dihydro-1H-imidazol-2-ylamino) hydrogen sulfate","","","","","","","","","","","","","","","","","","","","(4,5-Dihydro-1H-imidazol-2-ylamino) hydrogen sulfate","","C1CN=C(N1)NOS(=O)(=O)O","BVBZGVMLYKQBKO-UHFFFAOYSA-N","10965136",NA,"PDBC05072","725855","Present"
-"(4,5-Dihydroxy-6-methoxy-2,4-dimethyloxan-3-yl) 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","(4,5-Dihydroxy-6-methoxy-2,4-dimethyloxan-3-yl) 2,2-dimethylpropanoate","","CC1C(C(C(C(O1)OC)O)(C)O)OC(=O)C(C)(C)C","LZAMUWMXRHSIEL-UHFFFAOYSA-N","359620",NA,"PDBC05073","620679","Present"
-"(4,7-Diacetyloxy-5-methoxynaphthalen-1-yl) acetate","","","","","","","","","","","","","","","","","","","","(4,7-Diacetyloxy-5-methoxynaphthalen-1-yl) acetate","","CC(=O)OC1=C2C=C(C=C(C2=C(C=C1)OC(=O)C)OC)OC(=O)C","SGPSIWQGVAAPDH-UHFFFAOYSA-N","359533",NA,"PDBC05074","620516","Present"
-"(4,7-Dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, phenyl-, (4,7-dihydro-4,7-dioxo-1H-benzim...","","C1=CC=C(C=C1)NC(=O)OCC2=NC3=C(N2)C(=O)C=CC3=O","ISLJYPPXVQBTQP-UHFFFAOYSA-N","367178",NA,"PDBC05075","636673","Present"
-"(4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","Acetic acid, (4,8-dioxobenzo[1,2-b:5,4-b']dithiophene- 2...","","CC(=O)OCC1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3","XMLWMBFZLBAVFQ-UHFFFAOYSA-N","375904",NA,"PDBC05076","656241","Present"
-"(4,8-Dioxo-6,7-dihydro-1H-cyclopenta[g]quinazolin-2-yl)methyl 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethylpropionyloxymethyl)-3,4,7,8-tetrahydro-6H...","","CC(C)(C)C(=O)OCC1=NC2=C(C=C3CCC(=O)C3=C2)C(=O)N1","VHFUHJPRYHXKIE-UHFFFAOYSA-N","136180639",NA,"PDBC05077","764822","Present"
-"(4-(((Isopropylamino)carbonyl)oxy)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-yl)methyl isopropylcarbamate","","","","","","","","","","","","","","","","","","","","3-(Isopropylcarbamoyloxymethyl)-4-isopropylcarbamoyloxy-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazole","","CC(C)NC(=O)OCC1=C2C(CCN2N=N1)OC(=O)NC(C)C","TVQBSBYQRKAQRR-UHFFFAOYSA-N","362188",NA,"PDBC05078","625779","Present"
-"(4-(((Phenoxycarbonyl)oxy)methyl)-1,3-diphenyl-1H-pyrazol-5-yl)methyl phenyl carbonate","","","","","","","","","","","","","","","","","","","","(4-(((Phenoxycarbonyl)oxy)methyl)-1,3-diphenyl-1H-pyrazol-5-yl)methyl phenyl carbonate","","C1=CC=C(C=C1)C2=NN(C(=C2COC(=O)OC3=CC=CC=C3)COC(=O)OC4=CC=CC=C4)C5=CC=CC=C5","GZCZVCVMPFWDOQ-UHFFFAOYSA-N","383138",NA,"PDBC05079","671179","Present"
-"(4-((10-(4-(4-Chlorobenzoyl)phenoxy)decyl)oxy)phenyl)(4-chlorophenyl)methanone","","","","","","","","","","","","","","","","","","","","[4-[10-[4-(4-Chlorobenzoyl)phenoxy]decoxy]phenyl]-(4-chlorophenyl)methanone","","C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OCCCCCCCCCCOC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl","KRZBWRVTFMQQLA-UHFFFAOYSA-N","371309",NA,"PDBC05080","645383","Present"
-"(4-((10-(4-(Cyano(propylamino)methyl)phenoxy)decyl)oxy)phenyl)(propylamino)acetonitrile","","","","","","","","","","","","","","","","","","","","(4-((10-(4-(Cyano(propylamino)methyl)phenoxy)decyl)oxy)phenyl)(propylamino)acetonitrile","","CCCNC(C#N)C1=CC=C(C=C1)OCCCCCCCCCCOC2=CC=C(C=C2)C(C#N)NCCC","VXOXDRKMRRAAPN-UHFFFAOYSA-N","384260",NA,"PDBC05081","673806","Present"
-"(4-((Benzylsulfinyl)methyl)phenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","1-[(Benzylsulfinyl)methyl]-4-nitrobenzene","","C1=CC=C(C=C1)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-]","QXCMIJOWNYUJSB-UHFFFAOYSA-N","275689",NA,"PDBC05082","122662","Present"
-"(4-((Cyanothio)ethynyl)phenyl)ethynyl thiocyanate","","","","","","","","","","","","","","","","","","","","(4-((Cyanothio)ethynyl)phenyl)ethynyl thiocyanate","","C1=CC(=CC=C1C#CSC#N)C#CSC#N","VDOQRCDRHHOLPJ-UHFFFAOYSA-N","382244",NA,"PDBC05083","669699","Present"
-"(4-((Phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(4-((Phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid","","C1=CC=C(C=C1)CC(=O)NN2C=NN(C2=S)CC(=O)O","ATXLYFAXDVDPGQ-UHFFFAOYSA-N","378426",NA,"PDBC05084","660845","Present"
-"(4-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-2-oxotetrahydro-3-furanyl)methyl acetate","","","","","","","","","","","","","","","","","","","","(4-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-2-oxotetrahydro-3-furanyl)methyl acetate","","CC(=O)OCC1C(COC1=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2","CYNXEFBQUHGDIH-UHFFFAOYSA-N","283490",NA,"PDBC05085","138333","Present"
-"(4-(2-(4-Anilinophenoxy)ethoxy)phenyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(4-(2-(4-Anilinophenoxy)ethoxy)phenyl)(phenyl)methanone","","C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCOC3=CC=C(C=C3)NC4=CC=CC=C4","GOQMAVNCFPLIOZ-UHFFFAOYSA-N","371171",NA,"PDBC05086","645172","Present"
-"(4-(2-Amino-6-hydroxy-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate","","","","","","","","","","","","","","","","","","","","(4-(2-Amino-6-hydroxy-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate","","C1C(C=CC1N2C=NC3=C2N=C(NC3=O)N)COS(=O)(=O)N","VOTHKJDIPGWYEK-UHFFFAOYSA-N","135409195",NA,"PDBC05087","664888","Present"
-"(4-(3,4-Dichlorophenyl)-2-(2-naphthyl)-2,3-dihydro-1H-1,5-benzodiazepin-7-yl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(4-(3,4-Dichlorophenyl)-2-(2-naphthyl)-2,3-dihydro-1H-1,5-benzodiazepin-7-yl)(phenyl)methanone","","C1C(NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)N=C1C4=CC(=C(C=C4)Cl)Cl)C5=CC6=CC=CC=C6C=C5","ZSFVSIQPWRXJSO-UHFFFAOYSA-N","369431",NA,"PDBC05088","641201","Present"
-"(4-(3-(3,4-Dimethoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile","","","","","","","","","","","","","","","","","","","","(4-(3-(3,4-Dimethoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC#N)OC","PRPWDUWRKBHKDB-WEVVVXLNSA-N","5467695",NA,"PDBC05089","657878","Present"
-"(4-(3-(4-(4-Chlorobenzoyl)phenoxy)propoxy)phenyl)(4-chlorophenyl)methanone","","","","","","","","","","","","","","","","","","","","(4-(3-(4-(4-Chlorobenzoyl)phenoxy)propoxy)phenyl)(4-chlorophenyl)methanone","","C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OCCCOC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl","YVJYPOCORMXKLX-UHFFFAOYSA-N","373057",NA,"PDBC05090","648889","Present"
-"(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile","","","","","","","","","","","","","","","","","","","","(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)OCC#N","IDORDBUWCGDCTR-XCVCLJGOSA-N","5467693",NA,"PDBC05091","657876","Present"
-"(4-(3-(4-Methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetic acid","","","","","","","","","","","","","","","","","","","","(4-(3-(4-Methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetic acid","","COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC(=O)O","QAPTYDCXRZEIMB-NYYWCZLTSA-N","5469051",NA,"PDBC05092","682092","Present"
-"(4-(3-(4-Methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile","","","","","","","","","","","","","","","","","","","","(4-(3-(4-Methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile","","COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC#N","XIKUMSVXUDISJH-NYYWCZLTSA-N","5467694",NA,"PDBC05093","657877","Present"
-"(4-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)-2-cyclopenten-1-yl)methylphosphonic acid","","","","","","","","","","","","","","","","","","","","(4-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)-2-cyclopenten-1-yl)methylphosphonic acid","","C1C(C=CC1N2C=NC(=C2N)C(=O)N)CP(=O)(O)O","SREADRHIUHVXGY-UHFFFAOYSA-N","379787",NA,"PDBC05094","664879","Present"
-"(4-(6-(Dimethylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate","","","","","","","","","","","","","","","","","","","","(4-(6-(Dimethylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate","","CN(C)C1=NC=NC2=C1N=CN2C3CC(C=C3)COS(=O)(=O)N","IHZVHKIWWBCJDJ-UHFFFAOYSA-N","379795",NA,"PDBC05095","664887","Present"
-"(4-(6-(Methylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate","","","","","","","","","","","","","","","","","","","","(4-(6-(Methylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate","","CNC1=C2C(=NC=N1)N(C=N2)C3CC(C=C3)COS(=O)(=O)N","SCNCCIPFHLYYBM-UHFFFAOYSA-N","379794",NA,"PDBC05096","664886","Present"
-"(4-(6-Amino-9H-purin-9-yl)-2-cyclopenten-1-yl)methylphosphonic acid","","","","","","","","","","","","","","","","","","","","(4-(6-Amino-9H-purin-9-yl)-2-cyclopenten-1-yl)methylphosphonic acid","","C1C(C=CC1N2C=NC3=C(N=CN=C32)N)CP(=O)(O)O","FCWOEAIQZZRERF-UHFFFAOYSA-N","379789",NA,"PDBC05097","664881","Present"
-"(4-(7-Amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2-cyclopenten-1-yl)methylphosphonic acid","","","","","","","","","","","","","","","","","","","","(4-(7-Amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2-cyclopenten-1-yl)methylphosphonic acid","","C1C(C=CC1N2C3=NC=NC(=C3N=N2)N)CP(=O)(O)O","HLAPDMCSRSNPQS-UHFFFAOYSA-N","379791",NA,"PDBC05098","664883","Present"
-"(4-(Acetyloxy)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(4-(Acetyloxy)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-yl)methyl acetate","","CC(=O)OCC1=C2C(CCN2N=N1)OC(=O)C","KVLUVSJVKPRQIV-UHFFFAOYSA-N","362189",NA,"PDBC05099","625780","Present"
-"(4-(Benzoylamino)phenyl)sulfonyl(3-(butylamino)-3-oxopropyl)carbamic acid","","","","","","","","","","","","","","","","","","","","(4-(Benzoylamino)phenyl)sulfonyl(3-(butylamino)-3-oxopropyl)carbamic acid","","CCCCNC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","ZKCZFOZTBVMJQA-UHFFFAOYSA-N","369699",NA,"PDBC05100","641716","Present"
-"(4-(Benzoylamino)phenyl)sulfonyl(3-(cyclohexylamino)-3-oxopropyl)carbamic acid","","","","","","","","","","","","","","","","","","","","(4-(Benzoylamino)phenyl)sulfonyl(3-(cyclohexylamino)-3-oxopropyl)carbamic acid","","C1CCC(CC1)NC(=O)CCN(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3","MLROYCPTKWARHV-UHFFFAOYSA-N","369701",NA,"PDBC05101","641718","Present"
-"(4-(Benzoylamino)phenyl)sulfonyl(3-(ethylamino)-3-oxopropyl)carbamic acid","","","","","","","","","","","","","","","","","","","","(4-(Benzoylamino)phenyl)sulfonyl(3-(ethylamino)-3-oxopropyl)carbamic acid","","CCNC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","XCGFEWCNYUXBSN-UHFFFAOYSA-N","369697",NA,"PDBC05102","641714","Present"
-"(4-(Benzoylamino)phenyl)sulfonyl(3-(hexylamino)-3-oxopropyl)carbamic acid","","","","","","","","","","","","","","","","","","","","(4-(Benzoylamino)phenyl)sulfonyl(3-(hexylamino)-3-oxopropyl)carbamic acid","","CCCCCCNC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","FXYLHVOJWYXULB-UHFFFAOYSA-N","369700",NA,"PDBC05103","641717","Present"
-"(4-(Benzoylamino)phenyl)sulfonyl(3-(isopropylamino)-3-oxopropyl)carbamic acid","","","","","","","","","","","","","","","","","","","","(4-(Benzoylamino)phenyl)sulfonyl(3-(isopropylamino)-3-oxopropyl)carbamic acid","","CC(C)NC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","LFPXNUQWNVOCGG-UHFFFAOYSA-N","369698",NA,"PDBC05104","641715","Present"
-"(4-(Dimethylamino)phenyl)(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile","","","","","","","","","","","","","","","","","","","","(4-(Dimethylamino)phenyl)(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile","","CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=C(C=C2)N(C)C","QAYYSXWQFPEBMD-UHFFFAOYSA-N","135409029",NA,"PDBC05105","653838","Present"
-"(4-(Hexadecylsulphonyl)phenyl)hydrazine","","","","","","","","","","","","","","","","","","","","Hydrazine, [4-(hexadecylsulfonyl)phenyl]-","","CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NN","CQXBNGQFWUTDKW-UHFFFAOYSA-N","74121",NA,"PDBC05106","165839","Present"
-"(4-Acetamidophenyl)sulfonyl N,N-diethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","(4-Acetamidophenyl)sulfonyl N,N-diethylcarbamodithioate","","CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)NC(=O)C","ISFCOLWZYBBINM-UHFFFAOYSA-N","394910",NA,"PDBC05107","699003","Present"
-"(4-Acetoxycuban-1-yl) acetate","","","","","","","","","","","","","","","","","","","","(4-Acetoxycuban-1-yl) acetate","","CC(=O)OC12C3C4C1C5C2C3C45OC(=O)C","LGAGKIUQEAZNQB-UHFFFAOYSA-N","390369",NA,"PDBC05108","687708","Present"
-"(4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde","","","","","","","","","","","","","","","","","","","","(4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde","","CC(=O)C1=C(C=CC2=C1CC(O2)CC=O)O","IOCACIKXLSCBKU-UHFFFAOYSA-N","371694",NA,"PDBC05109","646144","Present"
-"(4-Acetyloxy-2-methylidene-4-phenylbutyl) acetate","","","","","","","","","","","","","","","","","","","","(4-Acetyloxy-2-methylidene-4-phenylbutyl) acetate","","CC(=O)OCC(=C)CC(C1=CC=CC=C1)OC(=O)C","NCIXIPOTMJVRED-UHFFFAOYSA-N","359267",NA,"PDBC05110","619983","Present"
-"(4-Acetyloxy-5-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate","","","","","","","","","","","","","","","","","","","","(4-Acetyloxy-5-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate","","CC(=O)OC1=C2CCCC(C2=C(C=C1)OC(=O)C)OC","KHOYRLVBUFNABG-UHFFFAOYSA-N","358365",NA,"PDBC05111","618331","Present"
-"(4-Amino-2-anilino-1,3-thiazol-5-yl)-(furan-2-yl)methanone","","","","","","","","","","","","","","","","","","","","(4-Amino-2-anilino-thiazol-5-yl)-(2-furyl)methanone","","C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CO3)N","BFLLBNJYGICWQI-UHFFFAOYSA-N","399013",NA,"PDBC05112","709434","Present"
-"(4-Amino-2-anilino-1,3-thiazol-5-yl)-thiophen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","(4-Amino-2-anilino-thiazol-5-yl)-(2-thienyl)methanone","","C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CS3)N","XPKVIZDAFGYGOY-UHFFFAOYSA-N","399012",NA,"PDBC05113","709433","Present"
-"(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C4=CC=CC=C4)C5=CC=CC=C5","SIMLLKKCRICXKI-UHFFFAOYSA-N","393968",NA,"PDBC05114","697040","Present"
-"(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl) benzenesulfonate","","","","","","","","","","","","","","","","","","","","4-Amino-6,7-dimethyl-1,3-dioxo-2-((phenylsulfonyl)oxy)-5-isoindolinecarbonitrile","","CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)C","NDSQVXLQJGMRKS-UHFFFAOYSA-N","393962",NA,"PDBC05115","697034","Present"
-"(4-Aminocinnolin-3-yl)(2,4,6-trimethylphenyl)methanone","","","","","","","","","","","","","","","","","","","","(4-Aminocinnolin-3-yl)-(2,4,6-trimethylphenyl)methanone","","CC1=CC(=C(C(=C1)C)C(=O)C2=C(C3=CC=CC=C3N=N2)N)C","GHAIJBAYMRDUQP-UHFFFAOYSA-N","395936",NA,"PDBC05116","701031","Present"
-"(4-Aminocinnolin-3-yl)-phenyl-methanone","","","","","","","","","","","","","","","","","","","","(4-Aminocinnolin-3-yl)-phenyl-methanone","","C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3N=N2)N","LXBJYSXWAMBHKG-UHFFFAOYSA-N","395918",NA,"PDBC05117","701013","Present"
-"(4-Aminonaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone","","","","","","","","","","","","","","","","","","","","(4-Amino-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone","","C1COCCN1CCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=C(C5=CC=CC=C54)N","IPGFNABSBIRAJE-UHFFFAOYSA-N","398651",NA,"PDBC05118","708810","Present"
-"(4-Aminonaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone;hydrochloride","","","","","","","","","","","","","","","","","","","","(4-Amino-1-naphthyl)-[2-methyl-1-(2-morpholinoethyl)indol-3-yl]methanone hydrochloride","","CC1=C(C2=CC=CC=C2N1CCN3CCOCC3)C(=O)C4=CC=C(C5=CC=CC=C54)N.Cl","SWGYFLOWHQOMTM-UHFFFAOYSA-N","398704",NA,"PDBC05119","708849","Present"
-"(4-Aminophenyl)-(6-methyl-1,3-benzodioxol-5-yl)methanone","","","","","","","","","","","","","","","","","","","","(4-Aminophenyl)(6-methyl-1,3-benzodioxol-5-yl)methanone","","CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)N)OCO2","UCDCYHQIRLHNBE-UHFFFAOYSA-N","404671",NA,"PDBC05120","721095","Present"
-"(4-Aminophenyl)-N-(4-oxo-2-phenyl(3-hydroquinazolin-3-yl))carboxamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)N","JQXRTUBLYBFPGF-UHFFFAOYSA-N","376417",NA,"PDBC05121","657331","Present"
-"(4-Aminophenyl)sulfonyl N,N-diethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","(4-Aminophenyl)sulfonyl N,N-diethylcarbamodithioate","","CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)N","JJRMLQGZHYPBNG-UHFFFAOYSA-N","394911",NA,"PDBC05122","699004","Present"
-"(4-Azidophenyl)arsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-84460","","C1=CC(=CC=C1N=[N+]=[N-])[As](=O)(O)O","ABBAHMOUCAIMOQ-UHFFFAOYSA-N","3246304",NA,"PDBC05123","84460","Present"
-"(4-Benzoyl-1,2,5-triphenylpyrrolidin-3-yl)-phenylmethanone","","","","","","","","","","","","","","","","","","","","(4-Benzoyl-1,2,5-triphenylpyrrolidin-3-yl)-phenylmethanone","","C1=CC=C(C=C1)C2C(C(C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6","NYGBDPCHPYMGDG-UHFFFAOYSA-N","266393",NA,"PDBC05124","103870","Present"
-"(4-Benzoyl-3-hydroxyphenyl) 2-ethylhexanoate","","","","","","","","","","","","","","","","","","","","4-Benzoyl-3-hydroxyphenyl 2-ethylhexanoate","","CCCCC(CC)C(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O","ZCVNWLRGTCLNIG-UHFFFAOYSA-N","256608",NA,"PDBC05125","83606","Present"
-"(4-Benzoyl-7-methyl-8-oxo-5a,6,6a,9,10,10a-hexahydro-5H-indolo[4,3-fg]quinolin-9-yl) acetate","","","","","","","","","","","","","","","","","","","","(4-Benzoyl-7-methyl-8-oxo-5a,6,6a,9,10,10a-hexahydro-5H-indolo[4,3-fg]quinolin-9-yl) acetate","","CC(=O)OC1CC2C(CC3CN(C4=CC=CC2=C34)C(=O)C5=CC=CC=C5)N(C1=O)C","DWKHFQPGKAKRKT-UHFFFAOYSA-N","397480",NA,"PDBC05126","705338","Present"
-"(4-Benzyl-1-methyl-2-piperazinyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(4-Benzyl-1-methyl-2-piperazinyl)acetonitrile","","CN1CCN(CC1CC#N)CC2=CC=CC=C2","FDLKZNBTKBWWPL-UHFFFAOYSA-N","376890",NA,"PDBC05127","658026","Present"
-"(4-Benzylpiperazin-1-yl)-(1H-indol-3-yl)methanethione","","","","","","","","","","","","","","","","","","","","(4-Benzylpiperazin-1-yl)-(1H-indol-3-yl)methanethione","","C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CNC4=CC=CC=C43","DZMQNQOWUUXICT-UHFFFAOYSA-N","391443",NA,"PDBC05128","690647","Present"
-"(4-Bromo-2-butenyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","NSC646428","","C1=CC=C(C=C1)[P+](CC=CCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","XJFIFZYWUOWAPZ-ASTDGNLGSA-M","5705621",NA,"PDBC05129","646428","Present"
-"(4-Bromophenyl)-(1-methylpiperidin-4-yl)-phenylmethanol","","","","","","","","","","","","","","","","","","","","(4-Bromophenyl)(1-methylpiperidin-4-yl)phenylmethanol","","CN1CCC(CC1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Br)O","LQVHOPLMWCXWKV-UHFFFAOYSA-N","402102",NA,"PDBC05130","715823","Present"
-"(4-Bromophenyl)-cyclopropyl-thiophen-2-ylmethanol","","","","","","","","","","","","","","","","","","","","(4-Bromophenyl)(cyclopropyl)thiophen-2-ylmethanol","","C1CC1C(C2=CC=C(C=C2)Br)(C3=CC=CS3)O","FYNBPTDOFQAGEI-UHFFFAOYSA-N","285502",NA,"PDBC05131","142487","Present"
-"(4-Chloro-3-(isopropoxyimino-methyl)-phenyl)-thiocarbamic acid, O-isopropyl ester","","","","","","","","","","","","","","","","","","","","Carbamothioic acid, 4-chloro-3-[(1-methylethoxy) iminome...","","CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C=NOC(C)C","PAALNFGWMCOSOL-LZYBPNLTSA-N","5351400",NA,"PDBC05132","645727","Present"
-"(4-Chloro-benzoyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester","","","","","","","","","","","","","","","","","","","","(4-Chloro-benzoyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester","","C1=CC=C(C=C1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)OCCOC3=CC=CC=C3","WQZSVPCGCSOLCL-UHFFFAOYSA-N","396760",NA,"PDBC05133","703470","Present"
-"(4-Chlorobenzo[c][2,7]naphthyridin-5-yl)-(2-chloropyridin-3-yl)methanol","","","","","","","","","","","","","","","","","","","","(4-Chlorobenzo[c][2,7]naphthyridin-5-yl)(2-chloropyridin-3-yl)methanol","","C1=CC=C2C(=C1)C3=C(C(=N2)C(C4=C(N=CC=C4)Cl)O)C(=NC=C3)Cl","ZGYVIEJKFBVLEH-UHFFFAOYSA-N","403411",NA,"PDBC05134","718212","Present"
-"(4-Chloronaphthalen-1-yl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol","","","","","","","","","","","","","","","","","","","","(4-Chloronaphthalen-1-yl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol","","C1=CC=C2C(=C1)C(=CC=C2Cl)CSC(=N)N.C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])O)Cl","LCAYIZOENCAEGI-UHFFFAOYSA-N","248380",NA,"PDBC05135","65219","Present"
-"(4-Chlorophenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate","","CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)OC3=CC=C(C=C3)Cl","ZKEXZNHAMVKSPS-UHFFFAOYSA-N","24204990",NA,"PDBC05136","733906","Present"
-"(4-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)Cl)NC3=CC(=NC=C3)C(F)(F)F","UFWWXIDUDYRLLY-UHFFFAOYSA-N","11682621",NA,"PDBC05137","731821","Present"
-"(4-Chlorophenyl) N'-(benzenesulfonamido)carbamimidate","","","","","","","","","","","","","","","","","","","","NSC637186","","C1=CC=C(C=C1)S(=O)(=O)NN=C(N)OC2=CC=C(C=C2)Cl","UNFHDWXXGWLPLB-UHFFFAOYSA-N","5465110",NA,"PDBC05138","637186","Present"
-"(4-Chlorophenyl)-(2-ethyl-3,4-diphenyl-1,2-oxazol-2-ium-5-yl)methanone;tetrachloroiron","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl)-(2-ethyl-3,4-diphenyl-1,2-oxazol-2-ium-5-yl)methanone;tetrachloroiron","","CC[N+]1=C(C(=C(O1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Fe](Cl)(Cl)Cl","VCTMHNSPENQTPM-UHFFFAOYSA-J","436246",NA,"PDBC05139","400594","Present"
-"(4-Chlorophenyl)-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-17-yl)methanone","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl)-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-17-yl)methanone","","CC1=C2C(=CC=C3C1=CC=C3)C4=CC=CC=C4N2C(=O)C5=CC=C(C=C5)Cl","KBJAZERJSFJSSO-UHFFFAOYSA-N","403545",NA,"PDBC05140","718565","Present"
-"(4-Chlorophenyl)-(2-phenanthren-9-yl-4,5-dihydroimidazol-1-yl)methanone","","","","","","","","","","","","","","","","","","","","1-[(4-Chlorophenyl)carbonyl]-2-phenanthren-9-yl-4,5-dihydro-1h-imidazole","","C1CN(C(=N1)C2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)C5=CC=C(C=C5)Cl","GJPAXUYMFCDAKE-UHFFFAOYSA-N","403516",NA,"PDBC05141","718517","Present"
-"(4-Chlorophenyl)-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanol","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl)-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanol","","CC1(COC(=N1)C2=CC(=CC=C2)C(C3=CC=C(C=C3)Cl)O)C","ZJUXCZVDGIBZEE-UHFFFAOYSA-N","384078",NA,"PDBC05142","673300","Present"
-"(4-Chlorophenyl)-[3-(4-chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl)-[3-(4-chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone","","C1C(=NN(C1(C2=CC(=C(C=C2Cl)Cl)F)O)C(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","YHRAIIZUKUEQNN-UHFFFAOYSA-N","400816",NA,"PDBC05143","713322","Present"
-"(4-Chlorophenyl)-[4-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanone","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl)-[4-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanone","","CC1(COC(=N1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C","OJVXGUQSDYMULP-UHFFFAOYSA-N","384079",NA,"PDBC05144","673301","Present"
-"(4-Chlorophenyl)-[4-(4-chlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]methanone;bromide","","","","","","","","","","","","","","","","","","","","3-(4-Chlorobenzoyl)-4-(4-chlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidinium bromide","","CC[N+]1(CCC(C(C1)C(=O)C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O)C.[Br-]","VTZSZMBLTKKFLW-UHFFFAOYSA-M","376393",NA,"PDBC05145","657303","Present"
-"(4-Chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone","","COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CC=C(C=C4)Cl)OC","IHJZVNYULAZNOD-UHFFFAOYSA-N","400820",NA,"PDBC05146","713326","Present"
-"(4-Chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-3-(4-methoxyphenyl)-4H-pyrazol-1-yl]methanone","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-3-(4-methoxyphenyl)-4H-pyrazol-1-yl]methanone","","COC1=CC=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CC=C(C=C4)Cl","YFRMOZFLJICFKQ-UHFFFAOYSA-N","400818",NA,"PDBC05147","713324","Present"
-"(4-Chlorophenyl)-diethoxyphosphorylmethanamine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl)-diethoxyphosphoryl-methanamine; 4-methylbenzenesulfonic acid","","CCOP(=O)(C(C1=CC=C(C=C1)Cl)N)OCC.CC1=CC=C(C=C1)S(=O)(=O)O","IJDCVWZYCHYXQR-UHFFFAOYSA-N","397500",NA,"PDBC05148","705596","Present"
-"(4-Chlorophenyl)sulfonyl N,N-diethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl)sulfonyl N,N-diethylcarbamodithioate","","CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)Cl","BAVMTXFKKCMJJS-UHFFFAOYSA-N","394916",NA,"PDBC05149","699009","Present"
-"(4-Cyano-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(4-Cyano-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2-yl)methyl acetate","","CC(=O)OCC12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)C)C#N","SOGKVFGISZZZLF-UHFFFAOYSA-N","356178",NA,"PDBC05150","611261","Present"
-"(4-Cyano-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(4-Cyano-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)acetic acid","","C1=CC=C2C(=C1)NC3=C(C(=CC(=O)N23)CC(=O)O)C#N","JCODYAQBQNCKDA-UHFFFAOYSA-N","364720",NA,"PDBC05151","631378","Present"
-"(4-Cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(4-Cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methyl acetate","","CC(=O)OCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N","GJJIVDHXMASVGX-UHFFFAOYSA-N","387842",NA,"PDBC05152","682002","Present"
-"(4-Cyanophenyl) 4-(diaminomethylideneamino)benzoate;pyridine","","","","","","","","","","","","","","","","","","","","(4-Cyanophenyl) 4-(diaminomethylideneamino)benzoate;pyridine","","C1=CC=NC=C1.C1=CC(=CC=C1C#N)OC(=O)C2=CC=C(C=C2)N=C(N)N","VJBZQNKPRPWGLB-UHFFFAOYSA-N","424779",NA,"PDBC05153","168197","Present"
-"(4-Cyanophenyl) N-(3,4-dichlorophenyl)carbamate","","","","","","","","","","","","","","","","","","","","(4-Cyanophenyl) N-(3,4-dichlorophenyl)carbamate","","C1=CC(=CC=C1C#N)OC(=O)NC2=CC(=C(C=C2)Cl)Cl","QEWSVWTVNSZJCB-UHFFFAOYSA-N","342425",NA,"PDBC05154","379372","Present"
-"(4-Diethoxyphosphoryl-4,4-difluoro-1-hexadecoxybutan-2-yl) acetate","","","","","","","","","","","","","","","","","","","","[3-Diethoxyphosphoryl-3,3-difluoro-1-(hexadecoxymethyl)propyl] acetate","","CCCCCCCCCCCCCCCCOCC(CC(F)(F)P(=O)(OCC)OCC)OC(=O)C","MLFKJPLMVKLDCA-UHFFFAOYSA-N","395216",NA,"PDBC05155","699690","Present"
-"(4-Ethyl-5-methyl-3-cyclohexen-1-yl)(diphenyl)phosphine oxide","","","","","","","","","","","","","","","","","","","","(4-Ethyl-5-methyl-3-cyclohexen-1-yl)(diphenyl)phosphine oxide","","CCC1=CCC(CC1C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3","GCMNVACRSQTENH-UHFFFAOYSA-N","364916",NA,"PDBC05156","631803","Present"
-"(4-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate","","","","","","","","","","","","","","","","","","","","(4-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate","","COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=C(C=C4)F)OC)OC","KALNLOJBUCRQOO-UHFFFAOYSA-N","372986",NA,"PDBC05157","648774","Present"
-"(4-Fluorophenyl)-pyrrolidin-1-yldiazene","","","","","","","","","","","","","","","","","","","","1-(4-Fluorophenylazo)pyrrolidine","","C1CCN(C1)N=NC2=CC=C(C=C2)F","PMIAFDIFOGOSSA-UHFFFAOYSA-N","390393",NA,"PDBC05158","687747","Present"
-"(4-Fluorophenyl)methyl N-(4,5-dimethyl-2-nitrophenyl)carbamodithioate","","","","","","","","","","","","","","","","","","","","(4-Fluorophenyl)methyl N-(4,5-dimethyl-2-nitrophenyl)carbamodithioate","","CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)SCC2=CC=C(C=C2)F","FYDYCTIWSSSURB-UHFFFAOYSA-N","3325020",NA,"PDBC05159","290980","Present"
-"(4-Fluorophenyl)sulfonyl N,N-diethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","(4-Fluorophenyl)sulfonyl N,N-diethylcarbamodithioate","","CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)F","ODNCYLCIRQTIQM-UHFFFAOYSA-N","394917",NA,"PDBC05160","699010","Present"
-"(4-Furo[2,3-b]quinolin-4-yloxyphenyl)methanol","","","","","","","","","","","","","","","","","","","","[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]methanol","","C1=CC=C2C(=C1)C(=C3C=COC3=N2)OC4=CC=C(C=C4)CO","ODOAHMRPFYDXGF-UHFFFAOYSA-N","406550",NA,"PDBC05161","724698","Present"
-"(4-Hydroxy-2-oxo-3,4-dihydro-1,3-benzoxazin-6-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(4-Hydroxy-2-oxo-3,4-dihydro-1,3-benzoxazin-6-yl)methyl acetate","","CC(=O)OCC1=CC2=C(C=C1)OC(=O)NC2O","SECBXWYCTJSPHC-UHFFFAOYSA-N","331500",NA,"PDBC05162","324047","Present"
-"(4-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate","","","","","","","","","","","","","","","","","","","","(4-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate","","CC(=O)OC1=C2CCCCC2=C(C=C1)O","BRRMZOVBOURVNY-UHFFFAOYSA-N","358348",NA,"PDBC05163","618313","Present"
-"(4-Hydroxy-6-methoxy-2-methyloxan-3-yl) benzoate","","","","","","","","","","","","","","","","","","","","(4-Hydroxy-6-methoxy-2-methyloxan-3-yl) benzoate","","CC1C(C(CC(O1)OC)O)OC(=O)C2=CC=CC=C2","GBBTYIBCVJGZKH-UHFFFAOYSA-N","359626",NA,"PDBC05164","620685","Present"
-"(4-Hydroxyanilino)(imino)methanesulfonic acid","","","","","","","","","","","","","","","","","","","","(4-Hydroxyanilino)(imino)methanesulfonic acid","","C1=CC(=CC=C1N=C(N)S(=O)(=O)O)O","DZKRCDCLVRJXRU-UHFFFAOYSA-N","388369",NA,"PDBC05165","683263","Present"
-"(4-Hydroxyimino-cyclohexa-2,5-dienylidene)-phenyl-acetonitrile","","","","","","","","","","","","","","","","","","","","2,5-Cyclohexadiene-.delta.1,.alpha.-acetonitrile, 4-oxo-...","","C1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N","CEQPEKHLBZNDQM-UHFFFAOYSA-N","346833",NA,"PDBC05166","405159","Present"
-"(4-Hydroxyphenyl) 2-methylbenzoate","","","","","","","","","","","","","","","","","","","","2-Methylbenzoic acid (4-hydroxyphenyl) ester","","CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)O","BOONETDXYXMSMD-UHFFFAOYSA-N","358346",NA,"PDBC05167","618311","Present"
-"(4-Hydroxyphenyl)-N-(4-oxo-2-phenyl(3-hydroquinazolin-3-yl))carboxamide","","","","","","","","","","","","","","","","","","","","4-Hydroxy-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)O","LVBQCQQKNQYJIH-UHFFFAOYSA-N","376429",NA,"PDBC05168","657343","Present"
-"(4-Isothiocyanatophenyl)methyl N'-aminocarbamimidothioate;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC671431","","C1=CC(=CC=C1CSC(=NN)N)N=C=S.Br","OVABBSYTLUHOME-UHFFFAOYSA-N","9571924",NA,"PDBC05169","671431","Present"
-"(4-Isothiocyanatophenyl)methyl carbamimidothioate;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC671430","","C1=CC(=CC=C1CSC(=N)N)N=C=S.Br","YWZJXXSODGISFF-UHFFFAOYSA-N","383317",NA,"PDBC05170","671430","Present"
-"(4-Methoxy-2,4-dioxobutyl)-triphenylphosphanium;bromide","","","","","","","","","","","","","","","","","","","","NSC648233","","COC(=O)CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","IBISKZMSPQZZKI-UHFFFAOYSA-M","372700",NA,"PDBC05171","648233","Present"
-"(4-Methoxyphenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate","","","","","","","","","","","","","","","","","","","","(4-Methoxyphenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate","","COC1=CC=C(C=C1)OC(=O)CC2CC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC","LMLLUQXQQCGHHQ-UHFFFAOYSA-N","372987",NA,"PDBC05172","648775","Present"
-"(4-Methoxyphenyl)(2,3,4-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(4-Methoxyphenyl)(2,3,4-trimethoxyphenyl)methanone","","COC1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OC)OC)OC","XOAIHPXZWMXWPP-UHFFFAOYSA-N","240478",NA,"PDBC05173","46683","Present"
-"(4-Methoxyphenyl)(phenyl)iodanium trifluoroacetate","","","","","","","","","","","","","","","","","","","","(4-Methoxyphenyl)-phenyliodanium;2,2,2-trifluoroacetate","","COC1=CC=C(C=C1)[I+]C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]","XXCQVFAKDMZVLF-UHFFFAOYSA-M","21910132",NA,"PDBC05174","141351","Present"
-"(4-Methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol","","","","","","","","","","","","","","","","","","","","(4-Methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol","","COC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)O","CTISBFSGYTVNIP-UHFFFAOYSA-N","368140",NA,"PDBC05175","638483","Present"
-"(4-Methoxyphenyl)-(4,5,6-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","(4-Methoxyphenyl)-(4,5,6-trimethoxy-1H-indol-2-yl)methanone","","COC1=CC=C(C=C1)C(=O)C2=CC3=C(C(=C(C=C3N2)OC)OC)OC","DEINVPDAEWSYMQ-UHFFFAOYSA-N","51032645",NA,"PDBC05176","748399","Present"
-"(4-Methoxyphenyl)-(6-thioxo-3H-purin-7-yl)mercury","","","","","","","","","","","","","","","","","","","","(4-Methoxyphenyl)-(6-thioxo-3H-purin-7-yl)mercury","","","","",NA,"PDBC05177","631943","Present"
-"(4-Methoxyphenyl)-[4-[3-[(E)-2-nitroethenyl]indol-1-yl]phenyl]methanone","","","","","","","","","","","","","","","","","","","","(4-Methoxyphenyl)-[4-[3-[(E)-2-nitroethenyl]indol-1-yl]phenyl]methanone","","COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C=C(C4=CC=CC=C43)C=C[N+](=O)[O-]","LXXBHAHCWIONOF-CCEZHUSRSA-N","5471105",NA,"PDBC05178","708483","Present"
-"(4-Methoxyphenyl)-pyrrolidin-1-yldiazene","","","","","","","","","","","","","","","","","","","","4-(Pyrrolizinoazo)anisole","","COC1=CC=C(C=C1)N=NN2CCCC2","MUGWKDATFDQVFX-UHFFFAOYSA-N","390392",NA,"PDBC05179","687746","Present"
-"(4-Methoxyphenyl)[4-(oxoarsanyl)phenyl]methanone","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-16283","","COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[As]=O","NFADCVNKOTVVFE-UHFFFAOYSA-N","226137",NA,"PDBC05180","16283","Present"
-"(4-Methoxyphenyl)carbamothioyl cyanide","","","","","","","","","","","","","","","","","","","","JSNTULLDGTWAAQ-UHFFFAOYSA-N","","COC1=CC=C(C=C1)NC(=S)C#N","JSNTULLDGTWAAQ-UHFFFAOYSA-N","3636623",NA,"PDBC05181","369319","Present"
-"(4-Methyl-2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate","","","","","","","","","","","","","","","","","","","","(4-Methyl-2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate","","CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)N(CCCl)CCCl","NAFZWYVSUFHOHU-UHFFFAOYSA-N","304395",NA,"PDBC05182","196219","Present"
-"(4-Methyl-2-oxochromen-7-yl) N-(2,4-dimethoxyphenyl)carbamate;(4-methyl-7-oxochromen-2-yl) N-(2,4-dimethoxyphenyl)carbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, (2,4-dimethoxyphenyl)-, 4-methyl-2-oxo- 2...","","CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)NC3=C(C=C(C=C3)OC)OC.CC1=C2C=CC(=O)C=C2OC(=C1)OC(=O)NC3=C(C=C(C=C3)OC)OC","MAAZYFGKHNVRNP-UHFFFAOYSA-N","353609",NA,"PDBC05183","602335","Present"
-"(4-Methyl-2-oxochromen-7-yl) N-(3,4-dichlorophenyl)carbamate","","","","","","","","","","","","","","","","","","","","(4-Methyl-2-oxochromen-7-yl) N-(3,4-dichlorophenyl)carbamate","","CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)NC3=CC(=C(C=C3)Cl)Cl","QTQXCJVAXPNMMB-UHFFFAOYSA-N","320940",NA,"PDBC05184","270101","Present"
-"(4-Methyl-2-oxochromen-7-yloxy)-N-benzamide","","","","","","","","","","","","","","","","","","","","(4-Methyl-2-oxochromen-7-yl) N-phenylcarbamate","","CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)NC3=CC=CC=C3","YACMRJAQFAZRDM-UHFFFAOYSA-N","310644",NA,"PDBC05185","215568","Present"
-"(4-Methylbenzyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","ACM2378861","","CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","CEEKCHGNKYVTTM-UHFFFAOYSA-M","11797662",NA,"PDBC05186","77141","Present"
-"(4-Methylcuban-1-yl)methanol","","","","","","","","","","","","","","","","","","","","4-methyl-cubanecarbinol","","CC12C3C4C1C5C2C3C45CO","BAEFCXUMOHTMRJ-UHFFFAOYSA-N","390553",NA,"PDBC05187","688039","Present"
-"(4-Methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride","","","","","","","","","","","","","","","","","","","","(4-Methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride","","CC1=CC=C(C2=CC=CC=C12)C(=N)C3=CC=CC=C3CC4=CC=CC5=CC=CC=C54.Cl","KPUQMLLFJPIATQ-UHFFFAOYSA-N","5351941",NA,"PDBC05188","99550","Present"
-"(4-Methylphenyl)(2-(4-methylphenyl)-4,4a,5,7a-tetrahydrocyclopenta[b]thiopyran-4-yl)methanone","","","","","","","","","","","","","","","","","","","","(4-Methylphenyl)(2-(4-methylphenyl)-4,4a,5,7a-tetrahydrocyclopenta[b]thiopyran-4-yl)methanone","","CC1=CC=C(C=C1)C2=CC(C3CC=CC3S2)C(=O)C4=CC=C(C=C4)C","UZPMSCYFVVIUEA-UHFFFAOYSA-N","381275",NA,"PDBC05189","667711","Present"
-"(4-Nitrophenyl) 2-[[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","(4-Nitrophenyl) 2-[[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-phenylpropanoate","","CCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]","PQBOOJWKELKJDE-UHFFFAOYSA-N","388564",NA,"PDBC05190","683567","Present"
-"(4-Nitrophenyl) 2-[bis(1-adamantyloxycarbonyl)amino]acetate","","","","","","","","","","","","","","","","","","","","Glycine, N,N-bis[(tricyclo[3,3,1,1(3,7)]-1-decyloxy)carb...","","C1C2CC3CC1CC(C2)(C3)OC(=O)N(CC(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC56CC7CC(C5)CC(C7)C6","GQJJUERUDMZYFN-UHFFFAOYSA-N","382440",NA,"PDBC05191","670006","Present"
-"(4-Nitrophenyl) 3-phenyl-2-[[2-(tridecanoylamino)acetyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","(4-Nitrophenyl) 3-phenyl-2-[[2-(tridecanoylamino)acetyl]amino]propanoate","","CCCCCCCCCCCCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]","LGHZJIAMJUWMNS-UHFFFAOYSA-N","387367",NA,"PDBC05192","681119","Present"
-"(4-Nitrophenyl)(pyrrolidin-1-yl)methanone","","","","","","","","","","","","","","","","","","","","ARONIS013973","","C1CCN(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]","VIPIQYQJPCFIER-UHFFFAOYSA-N","386112",NA,"PDBC05193","677744","Present"
-"(4-Nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate","","","","","","","","","","","","","","","","","","","","(4-Nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate","","C1CC2C#CC=CC#CC3C4(C1)C2(O4)C5=CC=CC=C5N3C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]","QWOHTRSZULPMGF-IDLMTYENSA-N","5469104",NA,"PDBC05194","683253","Present"
-"(4-Nitrophenyl)methyl 5-amino-4-[2-(tert-butoxycarbonylamino)pent-4-enoylamino]-5-oxo-pentanoate","","","","","","","","","","","","","","","","","","","","(4-Nitrophenyl)methyl 5-amino-4-[2-(tert-butoxycarbonylamino)pent-4-enoylamino]-5-oxo-pentanoate","","CC(C)(C)OC(=O)NC(CC=C)C(=O)NC(CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N","FJNGTHSYQLUHFA-UHFFFAOYSA-N","382703",NA,"PDBC05195","670351","Present"
-"(4-Nitrophenyl)methyl N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate","","","","","","","","","","","","","","","","","","","","(4-Nitrophenyl)methyl N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)NC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])CCl)OC)OC","QBXGPDHONUGPPB-UHFFFAOYSA-N","393527",NA,"PDBC05196","695585","Present"
-"(4-Nitrophenyl)methyl N-[1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]carbamate;hydrochloride","","","","","","","","","","","","","","","","","","","","(4-Nitrophenyl)methyl N-[1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]carbamate;hydrochloride","","CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)NC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])CCl.Cl","CJUFICHCLRMVJS-UHFFFAOYSA-N","396200",NA,"PDBC05197","701749","Present"
-"(4-Nitrophenyl)sulfanylimino-[3-[[(4-nitrophenyl)sulfanylimino-lambda4-sulfanylidene]amino]sulfanylphenyl]sulfanylimino-lambda4-sulfane","","","","","","","","","","","","","","","","","","","","(4-Nitrophenyl)sulfanylimino-[3-[[(4-nitrophenyl)sulfanylimino-lambda4-sulfanylidene]amino]sulfanylphenyl]sulfanylimino-lambda4-sulfane","","C1=CC(=CC(=C1)SN=S=NSC2=CC=C(C=C2)[N+](=O)[O-])SN=S=NSC3=CC=C(C=C3)[N+](=O)[O-]","HYVYXFFWUVAIBD-UHFFFAOYSA-N","399824",NA,"PDBC05198","710959","Present"
-"(4-Nitrophenyl)sulfonyl N,N-diethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","(4-Nitrophenyl)sulfonyl N,N-diethylcarbamodithioate","","CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]","ASQJUHPOWYCHGI-UHFFFAOYSA-N","394913",NA,"PDBC05199","699006","Present"
-"(4-Phenoxyphenyl) 2-methylbenzoate","","","","","","","","","","","","","","","","","","","","(4-Phenoxyphenyl) 2-methylbenzoate","","CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3","HZQHGPAVFRRYIE-UHFFFAOYSA-N","358347",NA,"PDBC05200","618312","Present"
-"(4-Tert-butyl-2-chlorophenoxy)acetic acid","","","","","","","","","","","","","","","","","","","","JNBCFSGMPXZHGU-UHFFFAOYSA-N","","CC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)Cl","JNBCFSGMPXZHGU-UHFFFAOYSA-N","230818",NA,"PDBC05201","26118","Present"
-"(4-bromophenyl)[?]one","","","","","","","","","","","","","","","","","","","","(4-bromophenyl)[?]one","","C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)N=C(CS4)C5=CC=C(C=C5)Br","SURWBFSCWSHGNK-UHFFFAOYSA-N","383945",NA,"PDBC05202","672909","Present"
-"(4-cyano-benzylidene-hydrazino-carbonylmethylsulfanyl)ac...","","","","","","","","","","","","","","","","","","","","(4-cyano-benzylidene-hydrazino-carbonylmethylsulfanyl)ac...","","C1=CC(=CC=C1C=NNC(=O)CSCC(=O)NN=CC2=CC=C(C=C2)C#N)C#N","LWNOKGYIRSPRNO-ASIDMNOUSA-N","9572684",NA,"PDBC05203","724293","Present"
-"(4-fluoro-benzylidene-hydrazinocarbonylmethylsulfanyl)ac...","","","","","","","","","","","","","","","","","","","","(4-fluoro-benzylidene-hydrazinocarbonylmethylsulfanyl)ac...","","C1=CC(=CC=C1C=NNC(=O)CSCC(=O)NN=CC2=CC=C(C=C2)F)F","FQNNLXHHDSWKOZ-VGENTYGXSA-N","9572686",NA,"PDBC05204","724295","Present"
-"(4-isopropylphenyl)[?]dione","","","","","","","","","","","","","","","","","","","","(4-isopropylphenyl)[?]dione","","CC(C)C1=CC=C(C=C1)C2C3=C(C(=O)C4=CC=CC=C43)N=C5N2C(=O)CS5","BNNDSMNCPVZHBW-UHFFFAOYSA-N","369414",NA,"PDBC05205","641184","Present"
-"(4-nitrophenyl)[?]one","","","","","","","","","","","","","","","","","","","","(4-nitrophenyl)[?]one","","C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)N=C(CS4)C5=CC=C(C=C5)[N+](=O)[O-]","XVFLGZZGDRGFHR-UHFFFAOYSA-N","495989",NA,"PDBC05206","675760","Present"
-"(4-t-butyl-benzylidene-hydrazino-carbonylmethylsulfanyl)...","","","","","","","","","","","","","","","","","","","","(4-t-butyl-benzylidene-hydrazino-carbonylmethylsulfanyl)...","","CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=C(C=C2)C(C)(C)C","IWMHUAAVFREZMP-DPCVLPDWSA-N","9572685",NA,"PDBC05207","724294","Present"
-"(4-{[4-Chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}phenyl)-N-(4-chlorophenyl)ca rboxamide","","","","","","","","","","","","","","","","","","","","N1-(4-chlorophenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-d...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Cl","IXDZGAXCTALOFB-UHFFFAOYSA-N","1194955",NA,"PDBC05208","732828","Present"
-"(4-{[4-Chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}phenyl)-N-(4-fluorophenyl)ca rboxamide","","","","","","","","","","","","","","","","","","","","N1-(4-fluorophenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-d...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F","OAKWTGIONVUUEC-UHFFFAOYSA-N","1194957",NA,"PDBC05209","732830","Present"
-"(4-{[4-Chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}phenyl)-N-(4-methoxyphenyl)c arboxamide","","","","","","","","","","","","","","","","","","","","N1-(4-methoxyphenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-...","","COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","HTBHZKXGZOIISK-UHFFFAOYSA-N","1194933",NA,"PDBC05210","732825","Present"
-"(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-46-(1,2,3,4,5-pentahydroxypentyl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone","","","","","","","","","","","","","","","","","","","","(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-46-(1,2,3,4,5-pentahydroxypentyl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta","","C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C(C(C(C(CO)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O","KYLNUSOFJPEGQL-KFHLWQGWSA-N","385549",NA,"PDBC05211","676817","Present"
-"(4Aalpha,10R)-2-(tert-Butoxycarbonyl)-11-methyl-8alpha,8aalpha-(epiminoethano)octahydrospiro[isoquinoline-7(8H),2'-[1,3]dithiane]-10-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","2-O'-Tert-butyl 9-O'-ethyl (4'aR,7'aR,9'R,10'aR)-8'-methylspiro[1,3-dithiane-2,7'-3,4,4a,5,6,7a,9,10-octahydro-1H-pyrrolo[2,3-i]isoquinoline]-2',9'-dicarboxylate","","CCOC(=O)C1CC23CN(CCC2CCC4(C3N1C)SCCCS4)C(=O)OC(C)(C)C","WAIYGFUVIDRYLJ-VRVBVOGLSA-N","402475",NA,"PDBC05212","716499","Present"
-"(4Ar)-2-benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-carbonitrile","","","","","","","","","","","","","","","","","","","","(4Ar)-2-benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-carbonitrile","","C1CC2(CC3C1CN(C(C3)C#N)C(=O)C4=CC=CC=C4)OCCO2","XIPRMSHMVONOPL-AQFXKWCLSA-N","358293",NA,"PDBC05213","618235","Present"
-"(4Ar)-spiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-2-carbonitrile","","","","","","","","","","","","","","","","","","","","(4Ar)-spiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-2-carbonitrile","","C1CC2(CC3C1CN(CC3)C#N)OCCO2","VRGCPBRJHREASN-NFJWQWPMSA-N","358288",NA,"PDBC05214","618230","Present"
-"(4Ar,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(4Ar,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxyli","","CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C(=O)O)C","WYDPEADEZMZKNM-BYFNDDQKSA-N","385539",NA,"PDBC05215","676797","Present"
-"(4Ar,8aR)-1,2,4,4a,5,7,8,8a-octahydroisoquinoline-3,6-dione","","","","","","","","","","","","","","","","","","","","(4Ar,8aR)-1,2,4,4a,5,7,8,8a-octahydroisoquinoline-3,6-dione","","C1CC(=O)CC2C1CNC(=O)C2","OIEDOGPAJOVOCZ-NKWVEPMBSA-N","359541",NA,"PDBC05216","620524","Present"
-"(4Ar,8aR)-spiro[1,2,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-one","","","","","","","","","","","","","","","","","","","","(4Ar,8aR)-spiro[1,2,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-one","","C1CC2(CC3C1CNC(=O)C3)OCCO2","HJJBJFHSSQRFMS-IUCAKERBSA-N","359539",NA,"PDBC05217","620522","Present"
-"(4Ar,8aS)-6-methoxy-2,2-dimethyl-7-(4-nitroanilino)-4,4a,6,8a-tetrahydro-[1,3]dioxino[4,5-e][1,3]oxazin-8-one","","","","","","","","","","","","","","","","","","","","(4Ar,8aS)-6-methoxy-2,2-dimethyl-7-(4-nitroanilino)-4,4a,6,8a-tetrahydro-[1,3]dioxino[4,5-e][1,3]oxazin-8-one","","CC1(OCC2C(O1)C(=O)N(C(O2)OC)NC3=CC=C(C=C3)[N+](=O)[O-])C","QMGJCDOLIAZUSN-RJTITELWSA-N","374291",NA,"PDBC05218","651810","Present"
-"(4As,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethylphe nanthren-6-yl acetate","","","","","","","","","","","","","","","","","","","","(4aS,10aS)-1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethy...","","CC(=O)OC1=CC2=C(CCC3C2(CCCC3(C)C)C)C=C1","HPJOCOQLNLDTCJ-PKOBYXMFSA-N","11543787",NA,"PDBC05219","731786","Present"
-"(4As,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydronaphtho[2,1-f]isoquinoline-1,3,8-trione","","","","","","","","","","","","","","","","","","","","(4As,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydronaphtho[2,1-f]isoquinoline-1,3,8-trione","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=O)NC4=O)C","GPOVAOHLINYWJX-MUAMBBPCSA-N","371332",NA,"PDBC05220","645463","Present"
-"(4As,6R,8aR)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one","","","","","","","","","","","","","","","","","","","","(4As,6R,8aR)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one","","CC(=CCC1C2(CCC(=O)C(C2CCC1(C)O)(C)C)C)C=C","DJOZXNLJMQJGFO-JBXMIFJPSA-N","5469432",NA,"PDBC05221","687959","Present"
-"(4As,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(4As,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C","LEQCLUFJRGKLOA-JLRAIIHGSA-N","385519",NA,"PDBC05222","676770","Present"
-"(4As,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","","","","","","","","","","","","","","","","","","","","(4As,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1)C)C(=O)O)C","ZNFRITHWVZXJRK-UOIDGVBTSA-N","385530",NA,"PDBC05223","676786","Present"
-"(4As,8S,8aS)-8-hydroxy-4-(hydroxymethyl)-6-(1-hydroxypropan-2-yl)-8a-methyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one","","","","","","","","","","","","","","","","","","","","(4As,8S,8aS)-8-hydroxy-4-(hydroxymethyl)-6-(1-hydroxypropan-2-yl)-8a-methyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one","","CC(CO)C1CC2C(=CC(=O)CC2(C(C1)O)C)CO","OCRFGDDPLHXHFA-RATURRKTSA-N","390514",NA,"PDBC05224","687954","Present"
-"(4As,8S,8aS)-8-hydroxy-6-(1-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one","","","","","","","","","","","","","","","","","","","","(4As,8S,8aS)-8-hydroxy-6-(1-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one","","CC1=CC(=O)CC2(C1CC(CC2O)C(C)CO)C","YRSSFUSUDSNDDL-FELOIKABSA-N","390513",NA,"PDBC05225","687953","Present"
-"(4As,8aR)-4-acetyl-2-propan-2-yl-4,4a,5,7,8,8a-hexahydro-1H-isoquinoline-3,6-dione","","","","","","","","","","","","","","","","","","","","(4As,8aR)-4-acetyl-2-propan-2-yl-4,4a,5,7,8,8a-hexahydro-1H-isoquinoline-3,6-dione","","CC(C)N1CC2CCC(=O)CC2C(C1=O)C(=O)C","HOWACHGEYGPTDK-QDYONFDCSA-N","359543",NA,"PDBC05226","620526","Present"
-"(4As,8aR)-5-ethenyl-2,2,6,6-tetramethyl-4a,5,8,8a-tetrahydro-4H-benzo[d][1,3]dioxin-7-one","","","","","","","","","","","","","","","","","","","","(4As,8aR)-5-ethenyl-2,2,6,6-tetramethyl-4a,5,8,8a-tetrahydro-4H-benzo[d][1,3]dioxin-7-one","","CC1(C(C2COC(OC2CC1=O)(C)C)C=C)C","GUFZQMXEDAJEQU-GLYLRITDSA-N","360324",NA,"PDBC05227","622372","Present"
-"(4Br,12aS)-2-[2-(diethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-2-[2-(diethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride","","CCN(CC)CCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OC.Cl","HMKDLZYCODUZFZ-RRISRFGOSA-N","375742",NA,"PDBC05228","655765","Present"
-"(4Br,12aS)-2-[2-(dimethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-2-[2-(dimethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","CC12CCC3C(C1CC(=O)N(C2=O)CCN(C)C)CCC4=C3C=CC(=C4)OC","NSHFMXJGYQEOFH-JHDZUBBNSA-N","376243",NA,"PDBC05229","656926","Present"
-"(4Br,12aS)-2-amino-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-2-amino-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","CC12CCC3C(C1CC(=O)N(C2=O)N)CCC4=C3C=CC(=C4)O","YLHNWYILZXTYAZ-UUDIZGDISA-N","376237",NA,"PDBC05230","656920","Present"
-"(4Br,12aS)-2-butyl-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-2-butyl-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","CCCCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OC","SZYDQVLZIFYHKM-JHDZUBBNSA-N","379353",NA,"PDBC05231","663899","Present"
-"(4Br,12aS)-8-hydroxy-12a-methyl-2-(2-pyrrolidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-8-hydroxy-12a-methyl-2-(2-pyrrolidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride","","CC12CCC3C(C1CC(=O)N(C2=O)CCN4CCCC4)CCC5=C3C=CC(=C5)O.Cl","LYGWTQNXNZUYTB-MIMNEDCHSA-N","379351",NA,"PDBC05232","663898","Present"
-"(4Br,12aS)-8-hydroxy-12a-methyl-2-prop-2-enyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-8-hydroxy-12a-methyl-2-prop-2-enyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","CC12CCC3C(C1CC(=O)N(C2=O)CC=C)CCC4=C3C=CC(=C4)O","XEYVVHPJJHRUPE-HTZGDQIUSA-N","379350",NA,"PDBC05233","663897","Present"
-"(4Br,12aS)-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","CC12CCC3C(C1CC(=O)NC2=O)CCC4=C3C=CC(=C4)O","PLKNBMMJILFMCQ-UUDIZGDISA-N","379348",NA,"PDBC05234","663895","Present"
-"(4Br,12aS)-8-methoxy-12a-methyl-2-(2-piperidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-8-methoxy-12a-methyl-2-(2-piperidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","CC12CCC3C(C1CC(=O)N(C2=O)CCN4CCCCC4)CCC5=C3C=CC(=C5)OC","ZOAJGMAIXWPQOE-BZVZYMTDSA-N","375741",NA,"PDBC05235","655764","Present"
-"(4Br,12aS)-8-methoxy-12a-methyl-2-(2-pyrrolidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-8-methoxy-12a-methyl-2-(2-pyrrolidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","CC12CCC3C(C1CC(=O)N(C2=O)CCN4CCCC4)CCC5=C3C=CC(=C5)OC","COJVDKKMDHCBJS-JSXIUCTPSA-N","375740",NA,"PDBC05236","655763","Present"
-"(4Br,12aS)-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromen-2-one","","","","","","","","","","","","","","","","","","","","2H-Phenanthro[2,1-b]pyran-2-one, 3,4,4a,4b,5,6- 10b,11,1...","","CC12CCC3C(C1CCC(=O)O2)CCC4=C3C=CC(=C4)OC","INHMMEWBTMZXLR-AFNJWWOFSA-N","380696",NA,"PDBC05237","666401","Present"
-"(4Br,12aS)-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","CC12CCC3C(C1CC(=O)NC2=O)CCC4=C3C=CC(=C4)OC","SAASRGGXVBMYBA-DXCLHELWSA-N","375064",NA,"PDBC05238","653947","Present"
-"(4Br,12aS)-8-methoxy-2,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,12aS)-8-methoxy-2,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione","","CC12CCC3C(C1CC(=O)N(C2=O)C)CCC4=C3C=CC(=C4)OC","LJADZWRSCPYZPB-FCULAJGNSA-N","376241",NA,"PDBC05239","656924","Present"
-"(4Br,8S,10aR,12aS)-2-amino-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,8S,10aR,12aS)-2-amino-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=O)N(C4=O)N)C)O","HDOMUOSSPZHKBI-SATMMKAJSA-N","371333",NA,"PDBC05240","645464","Present"
-"(4Br,8S,10aR,12aS)-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Br,8S,10aR,12aS)-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=O)NC4=O)C)O","IECROBYLYFHSPC-SATMMKAJSA-N","371331",NA,"PDBC05241","645462","Present"
-"(4Bs,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethylphena nthren-3-ol","","","","","","","","","","","","","","","","","","","","(4bS,8aS)-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethylp...","","CC1(CCCC2(C1CCC3=C2C=C(C=C3)O)C)C","DVRNZIIXOYTWET-DOTOQJQBSA-N","11242011",NA,"PDBC05242","730979","Present"
-"(4E)-2-(2-Hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4E)-2-(2-Hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC=CC=C2O)C(=O)C3=CC=CC=C3O","POUVHVLYRAMAON-GXDHUFHOSA-N","135499334",NA,"PDBC05243","652173","Present"
-"(4E)-2-(2-Hydroxybenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4E)-2-(2-Hydroxybenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=CC=C2)O)C(=O)C3=CC=CC=C3O","FDZSCDZXIHCVLD-XNTDXEJSSA-N","5467417",NA,"PDBC05244","652178","Present"
-"(4E)-2-(2-Hydroxybenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4E)-2-(2-Hydroxybenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC=CC=C3O","DTBDBKHBMOFRPV-OQLLNIDSSA-N","5467421",NA,"PDBC05245","652182","Present"
-"(4E)-2-(2-Hydroxybenzoyl)-5-methyl-4-[(3-nitrophenyl)methylene]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4E)-2-(2-Hydroxybenzoyl)-5-methyl-4-[(3-nitrophenyl)methylene]pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3O","HXYGLTUSEVOSIG-XNTDXEJSSA-N","5467415",NA,"PDBC05246","652176","Present"
-"(4E)-2-(4-Chlorobenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4E)-2-(4-Chlorobenzoyl)-4-[(2-hydroxyphenyl)methylidene]-5-methylpyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)Cl","YAIJKHXXALVHKX-XNTDXEJSSA-N","135499337",NA,"PDBC05247","652184","Present"
-"(4E)-2-(4-Chlorobenzoyl)-4-[(3,4-dimethoxyphenyl)methylene]-5-methyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4E)-2-(4-Chlorobenzoyl)-4-[(3,4-dimethoxyphenyl)methylene]-5-methyl-pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=C(C=C3)Cl","VDOJIDANOLMWHT-MHWRWJLKSA-N","5467426",NA,"PDBC05248","652188","Present"
-"(4E)-2-(4-Chlorobenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4E)-2-(4-Chlorobenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=CC=C2)O)C(=O)C3=CC=C(C=C3)Cl","ZYAUVKJDEMGGOP-MHWRWJLKSA-N","5467423",NA,"PDBC05249","652185","Present"
-"(4E)-2-(4-Chlorobenzoyl)-4-[(4-chlorophenyl)methylene]-5-methyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","1-(4-Chlorobenzoyl)-3-methyl-4-(4-chlorobenzylidene)-1H-pyrazole-5(4H)-one","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl","OUXYPIJZNQNWOZ-MHWRWJLKSA-N","5467429",NA,"PDBC05250","652192","Present"
-"(4E)-2-(4-Chlorobenzoyl)-4-[(4-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4E)-2-(4-Chlorobenzoyl)-4-[(4-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl","KHDVRSANQYOYDA-MHWRWJLKSA-N","135499338",NA,"PDBC05251","652186","Present"
-"(4E)-2-(4-Chlorobenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4E)-2-(4-Chlorobenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC=C(C=C3)Cl","OIBGKDWRHLRRSB-CXUHLZMHSA-N","5467427",NA,"PDBC05252","652189","Present"
-"(4E)-2-Hydroxy-4-[hydroxy(phenyl)methylidene]-1,5-bis(4-methoxyphenyl)-2-phenacylpyrrolidin-3-one","","","","","","","","","","","","","","","","","","","","(4E)-2-Hydroxy-4-[hydroxy(phenyl)methylidene]-1,5-bis(4-methoxyphenyl)-2-phenacylpyrrolidin-3-one","","COC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(N2C4=CC=C(C=C4)OC)(CC(=O)C5=CC=CC=C5)O","RRMYJWUPSUMQAZ-OWWNRXNESA-N","5471002",NA,"PDBC05253","707085","Present"
-"(4E)-2-[Methyl(tert-butoxycarbonyl)amino]-2-tosyl-4-hexenoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","(4E)-2-[Methyl(tert-butoxycarbonyl)amino]-2-tosyl-4-hexenoic acid ethyl ester","","CCOC(=O)C(CC=CC)(N(C)C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)C","YNNMBEPZXIYYOB-CSKARUKUSA-N","5471006",NA,"PDBC05254","707108","Present"
-"(4E)-2-[Methyl(tert-butoxycarbonyl)amino]-6-hydroxy-4-hexenoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","(4E)-2-[Methyl(tert-butoxycarbonyl)amino]-6-hydroxy-4-hexenoic acid ethyl ester","","CCOC(=O)C(CC=CCO)N(C)C(=O)OC(C)(C)C","SOPGLANJPNBZDM-BQYQJAHWSA-N","5471007",NA,"PDBC05255","707109","Present"
-"(4E)-4-(1,3-Benzothiazol-2-ylhydrazinylidene)-3-methyl-2-methylsulfanyl-2,3-dihydronaphthalen-1-one","","","","","","","","","","","","","","","","","","","","(4E)-4-(1,3-Benzothiazol-2-ylhydrazinylidene)-3-methyl-2-methylsulfanyl-2,3-dihydronaphthalen-1-one","","CC1C(C(=O)C2=CC=CC=C2C1=NNC3=NC4=CC=CC=C4S3)SC","TXNPOUZYFIEATP-LTGZKZEYSA-N","24203938",NA,"PDBC05256","730198","Present"
-"(4E)-4-(3H-1,3-Benzothiazol-2-ylidene)-1-[4-(difluoromethylsulfanyl)phenyl]-5-iminopyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","(4E)-4-(3H-1,3-Benzothiazol-2-ylidene)-1-[4-(difluoromethylsulfanyl)phenyl]-5-iminopyrrolidin-2-one","","C1C(=C2NC3=CC=CC=C3S2)C(=N)N(C1=O)C4=CC=C(C=C4)SC(F)F","PXNROUIXJDNEAV-SIESLLRVSA-N","135543874",NA,"PDBC05257","744116","Present"
-"(4E)-4-(3H-1,3-Benzothiazol-2-ylidene)-5-imino-1-(3-methoxyphenyl)pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","(4E)-4-(3H-1,3-Benzothiazol-2-ylidene)-5-imino-1-(3-methoxyphenyl)pyrrolidin-2-one","","COC1=CC=CC(=C1)N2C(=O)CC(=C3NC4=CC=CC=C4S3)C2=N","APTGXTJYNDSBIO-BUTQJWPISA-N","135892287",NA,"PDBC05258","744115","Present"
-"(4E)-4-(Carbamothioylhydrazinylidene)-2,5-dioxo-N,1-diphenylpyrrolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","(4E)-4-(Carbamothioylhydrazinylidene)-2,5-dioxo-N,1-diphenylpyrrolidine-3-carboxamide","","C1=CC=C(C=C1)NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=CC=CC=C3","JGEBNWSJPYUCEG-KGENOOAVSA-N","6375779",NA,"PDBC05259","618553","Present"
-"(4E)-4-Benzylidene-1H-1-benzazepine-2,5-dione","","","","","","","","","","","","","","","","","","","","(4E)-4-Benzylidene-1H-1-benzazepine-2,5-dione","","C1C(=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC1=O","OMXPEFBXZUCIFX-JLHYYAGUSA-N","5468284",NA,"PDBC05260","667517","Present"
-"(4E)-4-Benzylidene-2-(2-bromophenyl)-1,3-oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4E)-4-Benzylidene-2-(2-bromophenyl)-1,3-oxazol-5-one","","C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3Br","LJDTVODLOJLOOW-GXDHUFHOSA-N","5985846",NA,"PDBC05261","360514","Present"
-"(4E)-4-Benzylidene-2-[(2Z)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","NSC685265///NSC685269///NSC685273","","C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","KPQYCCFPBRDIQP-XAPHBCNESA-N","135505122",NA,"PDBC05262","685265///685269///685273","Present"
-"(4E)-4-Benzylidene-2-[(2Z)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","NSC685277///NSC685281","","C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O","IZFWHMMSFXMNEO-VVQZMXHKSA-N","135505128",NA,"PDBC05263","685277///685281","Present"
-"(4E)-4-Benzylidene-6-methyltricyclo[4.4.0.02,7]decan-3-one","","","","","","","","","","","","","","","","","","","","(4E)-4-Benzylidene-6-methyltricyclo[4.4.0.02,7]decan-3-one","","CC12CC(=CC3=CC=CC=C3)C(=O)C4C1CCCC24","GSUMGBGLBSMGNE-JLHYYAGUSA-N","5387504",NA,"PDBC05264","624362","Present"
-"(4E)-4-Hydrazinylidene-N,1-bis(2-methoxyethyl)-2,5-dioxopyrrolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","(4E)-4-Hydrazinylidene-N,1-bis(2-methoxyethyl)-2,5-dioxopyrrolidine-3-carboxamide","","COCCNC(=O)C1C(=NN)C(=O)N(C1=O)CCOC","HUHKGWBVZZHMDU-RIYZIHGNSA-N","5934139",NA,"PDBC05265","618548","Present"
-"(4E)-4-Hydroxyimino-N,1-bis(4-methoxyphenyl)-2,5-dioxopyrrolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","(4E)-4-Hydroxyimino-N,1-bis(4-methoxyphenyl)-2,5-dioxopyrrolidine-3-carboxamide","","COC1=CC=C(C=C1)NC(=O)C2C(=NO)C(=O)N(C2=O)C3=CC=C(C=C3)OC","CEGOSBRGOCKRMF-LTGZKZEYSA-N","6413422",NA,"PDBC05266","618560","Present"
-"(4E)-4-[(2Z)-2-(5,7-Dibromo-8-hydroxy-1H-quinolin-2-ylidene)ethylidene]-2-methoxy-1-cyclohexa-2,5-dienone","","","","","","","","","","","","","","","","","","","","5,7-Dibromo-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol","","COC1=C(C=CC(=C1)C=CC2=NC3=C(C=C2)C(=CC(=C3O)Br)Br)O","LJHFHFMKDNYWHI-DUXPYHPUSA-N","135460261",NA,"PDBC05267","67090","Present"
-"(4E)-4-[(3,4-Dimethoxy-6-methyl-2-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4E)-4-[(3,4-Dimethoxy-6-methyl-2-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one","","CC1=CC(=C(C(=C1C=C2C(=O)OC(=N2)C3=CC=CC=C3)[N+](=O)[O-])OC)OC","SVDXFYUVAIMMAK-GXDHUFHOSA-N","5470688",NA,"PDBC05268","704226","Present"
-"(4E)-4-[(3,4-Dimethoxyphenyl)methylene]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one","","","","","","","","","","","","","","","","","","","","(4E)-4-[(3,4-Dimethoxyphenyl)methylene]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one","","COC1=C(C=C(C=C1)C=C2CCS(=O)(=O)C3=CC=CC=C3C2=O)OC","OCQXVXYYDHSRDG-SDNWHVSQSA-N","5903817",NA,"PDBC05269","691559","Present"
-"(4E)-4-[(3,4-Dimethoxyphenyl)methylene]-2-(2-hydroxybenzoyl)-5-methyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","1-[(2-Hydroxyphenyl)carbonyl]-4-[(3,4-dimethoxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one","","CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=CC=C3O","MVLPVVYJOQLEQH-XNTDXEJSSA-N","5467419",NA,"PDBC05270","652180","Present"
-"(4E)-4-[(4-Chlorophenyl)methylidene]-2-[(2Z)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","NSC685268///NSC685276","","C1=CC(=CC=C1C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O)Cl","FBQZTHBJNAZPRM-UVCBWJNHSA-N","135505125",NA,"PDBC05271","685268///685276","Present"
-"(4E)-4-[(4-Chlorophenyl)methylidene]-2-[(2Z)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","NSC685280///NSC685284","","C1=CC(=CC=C1C=C2C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O)Cl","JJZLPLDPEFXQLG-IMLVXGQUSA-N","135505131",NA,"PDBC05272","685280///685284","Present"
-"(4E)-4-[(4-Methoxyphenyl)methylene]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one","","","","","","","","","","","","","","","","","","","","(4E)-4-[(4-Methoxyphenyl)methylene]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one","","COC1=CC=C(C=C1)C=C2CCS(=O)(=O)C3=CC=CC=C3C2=O","BPGXKOQZRFBKOR-WYMLVPIESA-N","6036087",NA,"PDBC05273","691558","Present"
-"(4E)-4-[(4-Methoxyphenyl)methylidene]-2-[(2Z)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","NSC685267///NSC685275","","COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","SOIJVVDWZTZYGW-SRHDKXJSSA-N","135505124",NA,"PDBC05274","685267///685275","Present"
-"(4E)-4-[(4-Methoxyphenyl)methylidene]-2-[(2Z)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","NSC685279///NSC685283","","COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O","HRORYMAGQZFQHE-LZBAVMBZSA-N","135505130",NA,"PDBC05275","685279///685283","Present"
-"(4E)-4-[(4-Methylphenyl)methylidene]-2-[(2Z)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","NSC685266///NSC685270///NSC685274","","CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","ZAZDNCMLPHANEC-SRHDKXJSSA-N","135505123",NA,"PDBC05276","685266///685270///685274","Present"
-"(4E)-4-[(4-Methylphenyl)methylidene]-2-[(2Z)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","NSC685278///NSC685282","","CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O","CXAGJOLFYDCXSS-LZBAVMBZSA-N","135505129",NA,"PDBC05277","685278///685282","Present"
-"(4E)-4-[(E)-3-(2-Furyl)prop-2-enylidene]-2-phenyl-oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4E)-4-[(E)-3-(2-Furyl)prop-2-enylidene]-2-phenyl-oxazol-5-one","","C1=CC=C(C=C1)C2=NC(=CC=CC3=CC=CO3)C(=O)O2","CIIVDZAOJONZNU-QXAPVUDZSA-N","6340133",NA,"PDBC05278","623909","Present"
-"(4E)-4-[Anilino(methylsulfanyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4E)-4-[Anilino(methylsulfanyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one","","CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=NC3=CC=CC=C3)SC","JNODMBPJGYNACI-UHFFFAOYSA-N","392143",NA,"PDBC05279","692023","Present"
-"(4E)-4-{[Amino(oxo)acetyl]hydrazono}-N-(4-chloro-2-methylphenyl)-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-[6-(4-Chloro-2-methylanilino)-1-(4-hydroxy-3-methoxyphenyl)-1,6-dioxohexan-3-ylidene]amino]oxamide","","CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=NNC(=O)C(=O)N)CC(=O)C2=CC(=C(C=C2)O)OC","OQAHZFIFTBCLGF-CVKSISIWSA-N","5781692",NA,"PDBC05280","622442","Present"
-"(4E)-4-{[Hydrazino(oxo)acetyl]hydrazono}-N-(4-methoxyphenyl)-7,7-dimethyl-6-oxooctanamide","","","","","","","","","","","","","","","","","","","","(4E)-4-{[Hydrazino(oxo)acetyl]hydrazono}-N-(4-methoxyphenyl)-7,7-dimethyl-6-oxooctanamide","","CC(C)(C)C(=O)CC(=NNC(=O)C(=O)NN)CCC(=O)NC1=CC=C(C=C1)OC","BZIPLCNHHPWMBD-YDZHTSKRSA-N","9574382",NA,"PDBC05281","622392","Present"
-"(4E)-6-(4-Chlorophenyl)-N-(3,4-dimethylphenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","(4E)-6-(4-Chlorophenyl)-N-(3,4-dimethylphenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-oxohexanamide","","CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C(=O)NN)CC(=O)C2=CC=C(C=C2)Cl)C","ITARXXRBORLFOG-OVVQPSECSA-N","6078641",NA,"PDBC05282","625919","Present"
-"(4E)-N-(2,4-Dichlorophenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","(4E)-N-(2,4-Dichlorophenyl)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide","","COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)C(=O)NN)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)O","BHATYSXOCPECIX-UVHMKAGCSA-N","9569984",NA,"PDBC05283","630308","Present"
-"(4E)-N-(2,5-Dimethylphenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-(4-hydroxyphenyl)-5-methyl-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","(4E)-N-(2,5-Dimethylphenyl)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-(4-hydroxyphenyl)-5-methyl-6-oxohexanamide","","CC1=CC(=C(C=C1)C)NC(=O)CCC(=NNC(=O)C(=O)NN)C(C)C(=O)C2=CC=C(C=C2)O","CMVWJAMYCPIRQE-OVVQPSECSA-N","5864065",NA,"PDBC05284","622394","Present"
-"(4E)-N-(3,4-Dimethylphenyl)-6-(4-fluorophenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","(4E)-N-(3,4-Dimethylphenyl)-6-(4-fluorophenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-oxohexanamide","","CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C(=O)NN)CC(=O)C2=CC=C(C=C2)F)C","PXURFKCXRZBPBS-OVVQPSECSA-N","5873290",NA,"PDBC05285","625914","Present"
-"(4E,12Z,27Z,43Z)-Hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol","","","","","","","","","","","","","","","","","","","","(4E,12Z,27Z,43Z)-Hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol","","C#CC=CCCCCCCCCCCCCCCC=CCCCCC#CC(C#CCCCCC=CCCCCCCC=CC(C#C)O)O","NNHVKLPHDUEJMM-AZUTUPKRSA-N","5470605",NA,"PDBC05286","703544","Present"
-"(4E,15Z)-Triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol","","","","","","","","","","","","","","","","","","","","(4E,15Z)-Triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol","","C#CC(CCCCCCCCC#CCC=CCC#CCCCCCCC=CC(C#C)O)O","JXQKKFJMXWVGJQ-VBPYNGQDSA-N","5470604",NA,"PDBC05287","703543","Present"
-"(4E,15Z,26E)-4,15,26-Triacontatriene-1,12,18,29-tetryne-3,28-diol","","","","","","","","","","","","","","","","","","","","(4E,15Z,26E)-4,15,26-Triacontatriene-1,12,18,29-tetryne-3,28-diol","","C#CC(C=CCCCCCCC#CCC=CCC#CCCCCCCC=CC(C#C)O)O","PUFGWNJPJHYXPI-JGVBFEIUSA-N","5470603",NA,"PDBC05288","703542","Present"
-"(4E,5E)-4,5-Dibenzylidene-9-butyl-1,2,3,6,7,8-hexahydroacridine","","","","","","","","","","","","","","","","","","","","(4E,5E)-4,5-Dibenzylidene-9-butyl-1,2,3,6,7,8-hexahydroacridine","","CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCCC4=CC5=CC=CC=C5","XOLSPBQNCXYXHM-CDTUYSNOSA-N","5467326",NA,"PDBC05289","650740","Present"
-"(4E,5Z)-4,5-Bis[(4-methoxyphenyl)imino]-1-[(3-methyl-1,3-benzothiazol-2-ylidene)methyleneamino]-3-phenyl-imidazolidine-2-thione","","","","","","","","","","","","","","","","","","","","4,5-Bis[(4-methoxyphenyl)imino]-1-[(3-methyl-1,3-benzothiazol-2-ylidene)methylideneamino]-3-phenylimidazolidine-2-thione","","CN1C2=CC=CC=C2SC1=C=NN3C(=NC4=CC=C(C=C4)OC)C(=NC5=CC=C(C=C5)OC)N(C3=S)C6=CC=CC=C6","LDXDMBVFSOGIIJ-UHFFFAOYSA-N","383299",NA,"PDBC05290","671412","Present"
-"(4E,5Z)-4,5-Bis[(6-bromoquinazolin-4-yl)hydrazinylidene]pentane-1,2,3-triol","","","","","","","","","","","","","","","","","","","","NSC716031///NSC716032","","C1=CC2=C(C=C1Br)C(=NC=N2)NN=CC(=NNC3=NC=NC4=C3C=C(C=C4)Br)C(C(CO)O)O","BCYSHCNCOPMWBX-XJFZXDPTSA-N","54611941",NA,"PDBC05291","716031///716032","Present"
-"(4E,6S,7R,10E)-6-Hydroxy-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-one","","","","","","","","","","","","","","","","","","","","(4E,6S,7R,10E)-6-Hydroxy-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-one","","CC1CCC=C(CCC(C(C=C(CCC1=O)CO)O)C(=C)C)C","YMCWKPZXTYQNSW-YLKRIFPQSA-N","24204967",NA,"PDBC05292","733759","Present"
-"(4E,8E)-2-[[(3E)-4,8-Dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol","","","","","","","","","","","","","","","","","","","","4,8,12-Tetradecatrien-1-ol, 5,9,13-trimethyl-2-[(4,8-dim...","","CC(=CCCC(=CCCC(=CCC(CO)N(C)CCC=C(C)CCC=C(C)C)C)C)C","AASSGPJLRRBDET-GMKOBWIPSA-N","5470379",NA,"PDBC05293","700517","Present"
-"(4E,8E,11E,13R,15R)-4,8,12,15-Tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-triene-15-carbaldehyde","","","","","","","","","","","","","","","","","","","","(4E,8E,11E,13R,15R)-4,8,12,15-Tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-triene-15-carbaldehyde","","CC1=CCCC(=CCC=C(C2CC(CC1)C(O2)(C)C=O)C)C","XPGMBBWAAYJZIK-CAOVILBDSA-N","24204792",NA,"PDBC05294","732950","Present"
-"(4R)-(-)-Dihydrokikumycin B","","","","","","","","","","","","","","","","","","","","(4R)-(-)-Dihydrokikumycin B","","CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2CCC(=N2)N.Cl","FBXWSFRHRIPWKV-SBSPUUFOSA-N","361490",NA,"PDBC05295","624527","Present"
-"(4R)-2-(2-Pyridyl)-4-phenyl-5,5-dimethyl-2H,2H-1,3,2-dioxaphosphorinane-2-thione","","","","","","","","","","","","","","","","","","","","2-[(4r)-5,5-Dimethyl-4-phenyl-2-thioxo-1,3-dioxa-2$l5-phosphacyclohex-2-yl]pyridine","","CC1(COP(=S)(OC1C2=CC=CC=C2)C3=CC=CC=N3)C","PFWNRRXWRSEWGF-IWPPFLRJSA-N","399579",NA,"PDBC05296","710456","Present"
-"(4R)-2-Isopropyl-3-acetyl-4-(methoxycarbonyl)thiazolidine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","(4R)-2-Isopropyl-3-acetyl-4-(methoxycarbonyl)thiazolidine 1,1-dioxide","","CC(C)C1N(C(CS1(=O)=O)C(=O)OC)C(=O)C","HNVJCZGEWAEPEP-IENPIDJESA-N","397196",NA,"PDBC05297","704603","Present"
-"(4R)-3,3-Dimethyl-6-oxo-1,2-dithia-5-azacyclooctane-4beta-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl(4r)-3,3-dimethyl-6-oxo-1,2,5-dithiazocane-4-carboxylate","","CC1(C(NC(=O)CCSS1)C(=O)OC)C","IYNHYMJKHHXKAT-SSDOTTSWSA-N","398024",NA,"PDBC05298","707097","Present"
-"(4R)-3-[(1S)-1-[Tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylsulfanylazetidin-2-one","","","","","","","","","","","","","","","","","","","","(4R)-3-[(1S)-1-[Tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylsulfanylazetidin-2-one","","CCSC1C(C(=O)N1)C(C)O[Si](C)(C)C(C)(C)C","IKAJSCSPWAOXBA-VXFCFVAISA-N","5387067",NA,"PDBC05299","620241","Present"
-"(4R)-3-[(2S,3R)-2-Methyl-3-phenyl-3-(benzylbenzoyloxyamino)propionyl]-4alpha-methyl-5alpha-phenyloxazolidine-2-one","","","","","","","","","","","","","","","","","","","","[Benzyl-[(1R,2S)-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxo-1-phenylpropyl]amino] benzoate","","CC1C(OC(=O)N1C(=O)C(C)C(C2=CC=CC=C2)N(CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5","KZVKNXYMFIECSI-KWGZYXKDSA-N","402641",NA,"PDBC05300","716816","Present"
-"(4R)-4-(1,3-Benzodioxol-5-yl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","(4R)-4-(1,3-Benzodioxol-5-yl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione","","C1OC2=C(O1)C=C(C=C2)C3C=C(NC(=S)N3)C4=CC(=C(C=C4Cl)Cl)F","WRYGXESUOVZTCZ-CYBMUJFWSA-N","5472192",NA,"PDBC05301","716880","Present"
-"(4R)-4-(4-Chlorophenyl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","(4R)-4-(4-Chlorophenyl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione","","C1=CC(=CC=C1C2C=C(NC(=S)N2)C3=CC(=C(C=C3Cl)Cl)F)Cl","NMUSIXPXNCKSRC-CQSZACIVSA-N","5472190",NA,"PDBC05302","716878","Present"
-"(4R)-4-Ethyl-2-[(E)-2-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)ethenyl]-4,5-dihydro-1,3-thiazole","","","","","","","","","","","","","","","","","","","","(4R)-4-Ethyl-2-[(E)-2-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)ethenyl]-4,5-dihydro-1,3-thiazole","","CCC1CSC(=N1)C=CC2C3C(C4C(O2)OC(O4)(C)C)OC(O3)(C)C","GPBCQGAAWLZWIS-QTJPTHPESA-N","5472346",NA,"PDBC05303","717967","Present"
-"(4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-5,12-Dimethyl-3-oxo-17-(2-phenylethoxy)-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one","","","","","","","","","","","","","","","","","","","","(4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-5,12-Dimethyl-3-oxo-17-(2-phenylethoxy)-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one","","CC1CCC2CC(CC(O2)(C3CSC(=O)N3)OCCC4=CC=CC=C4)OC(=O)C=C(CCC=CC=C1)C","JSGUCQKJFWSGJD-MACQFCPGSA-N","46239554",NA,"PDBC05304","751494","Present"
-"(4R)-4-[(1S)-3,3-Diethoxy-1-hydroxy-propyl]-1,3-oxathiolane-2-thione","","","","","","","","","","","","","","","","","","","","(4R)-4-[(1S)-3,3-Diethoxy-1-hydroxy-propyl]-1,3-oxathiolane-2-thione","","CCOC(CC(C1COC(=S)S1)O)OCC","JEWSOKJFFIJVSC-JGVFFNPUSA-N","6712076",NA,"PDBC05305","655077","Present"
-"(4R)-4-[[4-[[4-[2-[4-[[4-[[(4S)-2-Oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenoxy]methyl]-1,3-oxazolidin-2-one","","","","","","","","","","","","","","","","","","","","(4R)-4-[[4-[[4-[2-[4-[[4-[[(4S)-2-Oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenoxy]methyl]-1,3-oxazolidin-2-one","","C1C(NC(=O)O1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)CCC4=CC=C(C=C4)N=CC5=CC=C(C=C5)OCC6COC(=O)N6","YGKBPFRHAYVWQJ-MEKGRNQZSA-N","397420",NA,"PDBC05306","705166","Present"
-"(4R)-6-(2,4-Dichloro-5-fluorophenyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","(4R)-6-(2,4-Dichloro-5-fluorophenyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione","","COC1=CC=C(C=C1)C2C=C(NC(=S)N2)C3=CC(=C(C=C3Cl)Cl)F","AOXWTYNTCUBDCD-OAHLLOKOSA-N","5472191",NA,"PDBC05307","716879","Present"
-"(4R,4As,12bS)-4a-bromo-3-(cyclopropylmethyl)-7,7,9-trimethoxy-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline","","","","","","","","","","","","","","","","","","","","(4R,4As,12bS)-4a-bromo-3-(cyclopropylmethyl)-7,7,9-trimethoxy-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline","","COC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C(C=C5)(OC)OC)Br)C=C1","YZTKIGBYJCSXII-GVVUEQADSA-N","6711281",NA,"PDBC05308","611274","Present"
-"(4R,4As,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol;2,3-dihydroxybutanedioic acid","","","","","","","","","","","","","","","","","","","","(4R,4As,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol;2,3-dihydroxybutanedioic acid","","CN1CCC23C4C(CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O)O.C(C(C(=O)O)O)(C(=O)O)O","VGMFWEOFABLKOH-GQLHWMNBSA-N","6712734",NA,"PDBC05309","707492","Present"
-"(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-hydroxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-hydroxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride","","C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)C7=CC(=CC=C7)O)O5)O.Cl","UCKSPSIMHIITIH-IAFVTLROSA-N","5471398",NA,"PDBC05310","711018","Present"
-"(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-methoxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","","","","","","","","","","","","","","","","","","","","(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-methoxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","","COC1=CC=CC(=C1)C2=C3C4=C(CC5C6(C4(CCN5CC7CC7)C(O3)C(=O)CC6)O)C=C2","ALKJHIRJEJQZCJ-LHIMOPHOSA-N","5471395",NA,"PDBC05311","711016","Present"
-"(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-phenyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-phenyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride","","C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)C7=CC=CC=C7)O5)O.Cl","FMZQXWPOPSZCQK-IAFVTLROSA-N","5471385",NA,"PDBC05312","711011","Present"
-"(4R,5S)-3-[(1R,2R,3R)-3-Hydroxy-3-methyl-2-(phenylmethoxymethyl)cyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one","","","","","","","","","","","","","","","","","","","","(4R,5S)-3-[(1R,2R,3R)-3-Hydroxy-3-methyl-2-(phenylmethoxymethyl)cyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one","","CC1(CC(C1COCC2=CC=CC=C2)N3C(C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)O","PIKWIUCLEUMGAN-BKVOUIBNSA-N","400576",NA,"PDBC05313","712699","Present"
-"(4R,5S)-3-[(S)-1-Oxo-2-[[bis(methylthio)methylene]amino]-4-pentenyl]-1,5-dimethyl-4-phenylimidazolidine-2-one","","","","","","","","","","","","","","","","","","","","(4S,5R)-1-[(2S)-2-[Bis(methylsulfanyl)methylideneamino]pent-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one","","CC1C(N(C(=O)N1C)C(=O)C(CC=C)N=C(SC)SC)C2=CC=CC=C2","PSORLGXQXWIAMV-BPUTZDHNSA-N","401244",NA,"PDBC05314","714451","Present"
-"(4R,5S)-4-Methyl-3-(2-methylpropanoyl)-5-phenyl-1,3-oxazolidin-2-one","","","","","","","","","","","","","","","","","","","","(4R,5S)-4-Methyl-3-(2-methylpropanoyl)-5-phenyl-1,3-oxazolidin-2-one","","CC1C(OC(=O)N1C(=O)C(C)C)C2=CC=CC=C2","FYOLDOBRYADSOQ-ZYHUDNBSSA-N","357742",NA,"PDBC05315","617263","Present"
-"(4R,6S,9E)-6,10-Dimethyl-13-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(17),9-dien-16-one","","","","","","","","","","","","","","","","","","","","(4R,6S,9E)-6,10-Dimethyl-13-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(17),9-dien-16-one","","CC1=CCCC2(C(O2)CCC3=CC(C(CC1)C(=C)C)OC3=O)C","BWXZMHLZAGUSQW-PVCCPOOOSA-N","24203410",NA,"PDBC05316","727920","Present"
-"(4R,7Ar,12bS)-9-methoxy-2,3,4,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol","","","","","","","","","","","","","","","","","","","","(4R,7Ar,12bS)-9-methoxy-2,3,4,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol","","COC1=C2C3=C(CC4C5(C3(CCN4)C(O2)C(CC5)O)O)C=C1","KFWOOLJUSYSBAD-FWSKSMIUSA-N","6712733",NA,"PDBC05317","707491","Present"
-"(4R,7S,10S,13S,15E,17R,19S)-7-[(3-Bromo-4-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone","","","","","","","","","","","","","","","","","","","","(4R,7S,10S,13S,15E,17R,19S)-7-[(3-Bromo-4-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone","","CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)Br)C3=CC=C(C=C3)O)C","JIHNXPGNCSRXCP-ISDDBSQYSA-N","5469770",NA,"PDBC05318","692743","Present"
-"(4R,7S,10S,13S,15E,17R,19S)-7-[(4-Hydroxy-3-iodophenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone","","","","","","","","","","","","","","","","","","","","(4R,7S,10S,13S,15E,17R,19S)-7-[(4-Hydroxy-3-iodophenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone","","CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)I)C3=CC=C(C=C3)O)C","XMXDDGCAJMJKDM-ISDDBSQYSA-N","5469771",NA,"PDBC05319","692744","Present"
-"(4R,8R,12R)-4,8,12-Tris(benzyloxymethyl)-1,5,9-triazacyclododecane-2,6,10-trione","","","","","","","","","","","","","","","","","","","","(4R,8R,12R)-4,8,12-Tris(benzyloxymethyl)-1,5,9-triazacyclododecane-2,6,10-trione","","C1C(NC(=O)CC(NC(=O)CC(NC1=O)COCC2=CC=CC=C2)COCC3=CC=CC=C3)COCC4=CC=CC=C4","VUKURJNDEHKATH-IDZRBWSNSA-N","403120",NA,"PDBC05320","717707","Present"
-"(4S)-1-Acetyl-2-oxoimidazolidine-4-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","(4S)-1-Acetyl-2-oxoimidazolidine-4-carboxylic acid methyl ester","","CC(=O)N1CC(NC1=O)C(=O)OC","TXCMRFRRAYRMGM-YFKPBYRVSA-N","385474",NA,"PDBC05321","676705","Present"
-"(4S)-3-Ethenyl-4-phenyloxazolidin-2-one","","","","","","","","","","","","","","","","","","","","NSC648848","","C=CN1C(COC1=O)C2=CC=CC=C2","SKPGTFFDNHRLGI-SNVBAGLBSA-N","6711953",NA,"PDBC05322","648848","Present"
-"(4S)-3-Methyl-4-phenylmethoxycyclohexan-1-one","","","","","","","","","","","","","","","","","","","","(4S)-3-Methyl-4-phenylmethoxycyclohexan-1-one","","CC1CC(=O)CCC1OCC2=CC=CC=C2","VSVQOQRPJLWUPY-IAXJKZSUSA-N","359579",NA,"PDBC05323","620571","Present"
-"(4S)-3-[(2R,3S)-2-Ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one","","","","","","","","","","","","","","","","","","","","(4s)-3-[(2r,3s)-2-(Benzyloxymethyl)-2-ethoxy-5-oxo-tetrahydrofuran-3-yl]-4-phenyl-oxazolidin-2-one","","CCOC1(C(CC(=O)O1)N2C(COC2=O)C3=CC=CC=C3)COCC4=CC=CC=C4","GCLSIAJDPIGHKU-QTEQDKRBSA-N","396645",NA,"PDBC05324","703159","Present"
-"(4S)-3-[(Z)-2-Benzamido-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","(4S)-3-[(Z)-2-Benzamido-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid","","C1CSC(=N1)NC=C(C(=O)N2CSCC2C(=O)O)NC(=O)C3=CC=CC=C3","UQHXCLLPUTZKEH-LLBKUYECSA-N","5470523",NA,"PDBC05325","702424","Present"
-"(4S)-4-(4-Methoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","NSC656706","","COC1=CC=C(C=C1)C2CC(=O)N2","CESNFZGXKRIXRB-VIFPVBQESA-N","376172",NA,"PDBC05326","656706","Present"
-"(4S)-5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione","","","","","","","","","","","","","","","","","","","","(4S)-5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione","","CC1(OCC(O1)C2C(C(=O)C(=O)O2)(CC=C)OCC=C)C","NDVPZBSZQZALOE-MBRGGSNBSA-N","386049",NA,"PDBC05327","677616","Present"
-"(4S)-9alpha-Hydroxy-2-methoxy-4abeta,9,9abeta,10-tetrahydrospiro[anthracene-4(1H),2'-oxolane]-1,5'-dione","","","","","","","","","","","","","","","","","","","","(4S,4Ar,9R,9aR)-9-hydroxy-2-methoxyspiro[4a,9,9a,10-tetrahydroanthracene-4,5'-oxolane]-1,2'-dione","","COC1=CC2(CCC(=O)O2)C3CC4=CC=CC=C4C(C3C1=O)O","NRTWWORCIYYHQH-GMLZMKKNSA-N","6712777",NA,"PDBC05328","710745","Present"
-"(4S)-Parectadial","","","","","","","","","","","","","","","","","","","","(4S)-Parectadial","","C=C(C=O)C1CCC(=CC1)C=O","LMTPRFICCZFNBL-SNVBAGLBSA-N","23625545",NA,"PDBC05329","746540","Present"
-"(4S,4As,5aR,12aR)-4-amino-8-[(2S)-1-ethylpyrrolidin-2-yl]-1,10,11,12a-tetrahydroxy-7-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide","","","","","","","","","","","","","","","","","","","","(4S,4aS,5aR,12aS)-4-amino-8-[(2S)-1-ethylpyrrolidin-2-yl...","","CCN1CCCC1C2=CC(=C3C(=C2OC)CC4CC5C(C(=O)C(=C(C5(C(=O)C4=C3O)O)O)C(=O)N)N)O","OLTNQCKDPZMTLV-OSGLLZLXSA-N","155812139",NA,"PDBC05330","794946","Present"
-"(4S,4As,5aR,12aR)-7-chloro-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide","","","","","","","","","","","","","","","","","","","","(4S,4aS,5aR,12aS)-7-chloro-4-(dimethylamino)-3,10,12,12a...","","CN(C)C1C2CC3CC4=C(C(=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)CN5CCC6=CC=CC=C6C5)Cl","WKGBVEDAADHWIU-QAEYPGILSA-N","67818301",NA,"PDBC05331","794947","Present"
-"(4S,4As,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-N-[(6-sulfanylidene-3,7-dihydropurin-8-yl)methyl]-4,4a,5,5a-tetrahydrotetracene-2-carboxamide","","","","","","","","","","","","","","","","","","","","2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,...","","CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCC5=NC6=C(N5)C(=S)N=CN6)N(C)C)O","JZNXUJPGOSLWCL-QNQAYYCOSA-N","54706004",NA,"PDBC05332","67588","Present"
-"(4S,4As,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-N-[[(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)amino]methyl]-4,4a,5,5a-tetrahydrotetracene-2-carboxamide","","","","","","","","","","","","","","","","","","","","2-Naphthacenecarboxamide, N-[(6,7-dihydro-7-oxo-v-triazo...","","CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCNC5=NC6=NNN=C6C(=O)N5)N(C)C)O","LFFMUKHLXGZVEC-YJQNBQOQSA-N","135422275",NA,"PDBC05333","67586","Present"
-"(4S,5-Bis(phenylmethoxy)-2,6-octadiene-1,8-diol","","","","","","","","","","","","","","","","","","","","(4S,5S)-4,5-bis(phenylmethoxy)-2,6-octadiene-1,8-diol","","C1=CC=C(C=C1)COC(C=CCO)C(C=CCO)OCC2=CC=CC=C2","FNXJSYYICOKACB-SQBSDWFCSA-N","5468987",NA,"PDBC05334","680772","Present"
-"(4S,5R)-1,1-Dioxodithiane-4,5-diol","","","","","","","","","","","","","","","","","","","","DITHIANE DIOL","","C1C(C(CS(=O)(=O)S1)O)O","HEDDKNPLYXIIDO-DMTCNVIQSA-N","361189",NA,"PDBC05335","624151","Present"
-"(4S,6R,7S,9E)-6,16-Dihydroxy-4-[(6-methoxypyridin-3-yl)methyl]-7-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one","","","","","","","","","","","","","","","","","","","","(4S,6R,7S,9E)-6,16-Dihydroxy-4-[(6-methoxypyridin-3-yl)methyl]-7-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one","","CC1CC=CCC2=C(C(=CC=C2)O)C(=O)OC(CC1O)CC3=CN=C(C=C3)OC","JNKIUALTDDIIPQ-DZLHGEMNSA-N","24204949",NA,"PDBC05336","733632","Present"
-"(4S,6S)-1,3,4,6-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene","","","","","","","","","","","","","","","","","","","","(4S,6S)-1,3,4,6-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene","","C1C(C2=C(SC(=C2C1Cl)Cl)Cl)Cl","FRIOLWQFTWFURX-HRFVKAFMSA-N","396941",NA,"PDBC05337","704123","Present"
-"(4S,7S,8E,12R)-4,12-Dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one","","","","","","","","","","","","","","","","","","","","(4S,7S,8E,12R)-4,12-Dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one","","CC1CCC2C(O2)(CCC(=CC(C(=O)C1)C(=C)C)C(C)C)C","XCLKNXURBGEDOT-UIGJQEFRSA-N","24202895",NA,"PDBC05338","726181","Present"
-"(4S,8-Diacetyloxy-2,6-octadiene","","","","","","","","","","","","","","","","","","","","(4S,5S)-4(tert-butyldimethylsilyoxy)-5-hydroxy-1,8-diace...","","CC(=O)OCC=CC(C(C=CCOC(=O)C)O[Si](C)(C)C(C)(C)C)O","XRPIUKCIFUBHHO-MORPDLRTSA-N","5468986",NA,"PDBC05339","680771","Present"
-"(4S,8S,12S,16S)-1,9-Diallyl-4,8,12,16-tetrabenzyl-1,5,9,13-tetraazacyclohexadecane-2,6,10,14-tetraone","","","","","","","","","","","","","","","","","","","","(4S,8S,12S,16S)-4,8,12,16-Tetrabenzyl-1,9-bis(prop-2-enyl)-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone","","C=CCN1C(CC(=O)NC(CC(=O)N(C(CC(=O)NC(CC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CC=C)CC4=CC=CC=C4)CC5=CC=CC=C5","UMRMGBRAUYLWTN-IWWWZYECSA-N","403842",NA,"PDBC05340","719376","Present"
-"(4S,9Ar)-4-hydroxy-1,6,6,9a-tetramethyl-4,5,5a,7,8,9,9b,10-octahydro-3bH-naphtho[2,1-e][2]benzofuran-11-one","","","","","","","","","","","","","","","","","","","","(4S,9Ar)-4-hydroxy-1,6,6,9a-tetramethyl-4,5,5a,7,8,9,9b,10-octahydro-3bH-naphtho[2,1-e][2]benzofuran-11-one","","CC1=C2C(=O)CC3C(C2=CO1)C(CC4C3(CCCC4(C)C)C)O","MGKLQGJEMFKJMR-RZVGGAAFSA-N","375817",NA,"PDBC05341","655979","Present"
-"(4S,9S)-11-(4-Chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,13,15,17,19-hexaen-11-ol","","","","","","","","","","","","","","","","","","","","(4S,9S)-11-(4-Chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,13,15,17,19-hexaen-11-ol","","C1CCC2C(C1)N=C3N2C(C4=C3C5=CC=CC=C5C=C4)(C6=CC=C(C=C6)Cl)O","HXPZZXPNTMVGEC-GAIPOIILSA-N","403505",NA,"PDBC05342","718505","Present"
-"(4S,9S)-2-(4-Chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),12,14,16,18-pentaen-11-one","","","","","","","","","","","","","","","","","","","","(4S,9S)-2-(4-Chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),12,14,16,18-pentaen-11-one","","C1CCC2C(C1)NC3(N2C(=O)C4=CC5=CC=CC=C5C=C43)C6=CC=C(C=C6)Cl","PYNVTLXVUKBJLL-AJVCAZFQSA-N","403517",NA,"PDBC05343","718518","Present"
-"(4Z)-1-Hydroxy-2,2,5,5-tetramethyl-4-(nitromethylene)imidazolidine","","","","","","","","","","","","","","","","","","","","(4Z)-1-Hydroxy-2,2,5,5-tetramethyl-4-(nitromethylene)imidazolidine","","CC1(C(=C[N+](=O)[O-])NC(N1O)(C)C)C","ZHZPQQIGVLXKTM-WAYWQWQTSA-N","3004915",NA,"PDBC05344","661472","Present"
-"(4Z)-1-Methyl-4-[(4-nitrophenyl)methylidene]-2-phenylpyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","(4Z)-1-Methyl-4-[(4-nitrophenyl)methylidene]-2-phenylpyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","RRILKACDATXKOV-XGRJIHFXSA-M","5469864",NA,"PDBC05345","693574","Present"
-"(4Z)-14,15-Dibromo-2,2,7,7,12,12,17,17-octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),4,8,10,18-pentaene-3,6,13,16-tetrone","","","","","","","","","","","","","","","","","","","","(4Z)-14,15-Dibromo-2,2,7,7,12,12,17,17-octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),4,8,10,18-pentaene-3,6,13,16-tetrone","","CC1(C(=O)C=CC(=O)C(C2=CC=C(O2)C(C(=O)C(C(C(=O)C(C3=CC=C1O3)(C)C)Br)Br)(C)C)(C)C)C","WBIQJYVZFHNLRN-KTKRTIGZSA-N","5387613",NA,"PDBC05346","625156","Present"
-"(4Z)-2-(1-Piperidyl)-4-(2-thienylmethylene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-(1-Piperidyl)-4-(2-thienylmethylene)-1H-imidazol-5-one","","C1CCN(CC1)C2=NC(=CC3=CC=CS3)C(=O)N2","UEVWZGLBMOJIRG-LUAWRHEFSA-N","135493936",NA,"PDBC05347","684336","Present"
-"(4Z)-2-(1-Piperidyl)-4-(p-tolylmethylene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-(1-Piperidyl)-4-(p-tolylmethylene)-1H-imidazol-5-one","","CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCCCC3","XPIUHDLWWVNPGB-KAMYIIQDSA-N","135493935",NA,"PDBC05348","684335","Present"
-"(4Z)-2-(2-Bromophenyl)-4-(ethoxymethylene)oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-(2-Bromophenyl)-4-(ethoxymethylene)oxazol-5-one","","CCOC=C1C(=O)OC(=N1)C2=CC=CC=C2Br","GLGPMKCVVGWJSE-YFHOEESVSA-N","3000672",NA,"PDBC05349","636341","Present"
-"(4Z)-2-(3,4-Dichlorophenyl)-4-(ethoxymethylene)oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-(3,4-Dichlorophenyl)-4-(ethoxymethylene)oxazol-5-one","","CCOC=C1C(=O)OC(=N1)C2=CC(=C(C=C2)Cl)Cl","CCCAUVRNKDDVJZ-POHAHGRESA-N","3004214",NA,"PDBC05350","636347","Present"
-"(4Z)-2-(3-Chloroanilino)-4-[(3,4-dichlorophenyl)methylidene]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-(3-Chloroanilino)-4-[(3,4-dichlorophenyl)methylidene]-1H-imidazol-5-one","","C1=CC(=CC(=C1)Cl)NC2=NC(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)N2","GSASNHVHKRZPFA-AUWJEWJLSA-N","135436263",NA,"PDBC05351","716496","Present"
-"(4Z)-2-(3-Chlorophenyl)-4-[[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]methylidene]-5-methylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-(3-Chlorophenyl)-4-[[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]methylidene]-5-methylpyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CN4CCCCC4)O)C5=CC(=CC=C5)Cl","AVGWBOLBKYZGQW-QFEZKATASA-N","60147917",NA,"PDBC05352","753145","Present"
-"(4Z)-2-(4-Aminophenyl)-4-[(3-aminophenyl)methylene]oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-(4-Aminophenyl)-4-[(3-aminophenyl)methylene]oxazol-5-one","","C1=CC(=CC(=C1)N)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)N","BMYBBEVYUGMUQA-ZROIWOOFSA-N","5387472",NA,"PDBC05353","623910","Present"
-"(4Z)-2-(4-Aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-(4-Aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)N","ZYMFONSCOMKYTL-WJDWOHSUSA-N","5387192",NA,"PDBC05354","621490","Present"
-"(4Z)-2-(4-Chlorobenzoyl)-4-[(2,4-dihydroxy-1-naphthyl)methylene]-5-methyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-(4-Chlorobenzoyl)-4-[(2,4-dihydroxy-1-naphthyl)methylene]-5-methyl-pyrazol-3-one","","CC1=C(C(=O)N(N1)C(=O)C2=CC=C(C=C2)Cl)C=C3C4=CC=CC=C4C(=O)C=C3O","HRBHOLCOPKENKE-ZDLGFXPLSA-N","5465538",NA,"PDBC05355","652191","Present"
-"(4Z)-2-Anilino-4-[(2,6-dichlorophenyl)methylene]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","2-[Phenylamino]-4-(2,6-dichlorobenzylidene)-1H-imidazole-5(4H)-one","","C1=CC=C(C=C1)NC2=NC(=CC3=C(C=CC=C3Cl)Cl)C(=O)N2","KTBPRJSAQNVVMB-ZROIWOOFSA-N","135436265",NA,"PDBC05356","716498","Present"
-"(4Z)-2-Butylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Butylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one","","CCCCSC1=NC(=CC2=CC=CO2)C(=O)N1","KDSYLRQDBXLJCG-NTMALXAHSA-N","135505222",NA,"PDBC05357","706023","Present"
-"(4Z)-2-Butylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Butylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one","","CCCCSC1=NC(=CC2=CC=CC=C2O)C(=O)N1","CDTMJWQVQDLPGK-LUAWRHEFSA-N","135505212",NA,"PDBC05358","704871","Present"
-"(4Z)-2-Hydrazino-4-[(2-hydroxyphenyl)methylene]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Hydrazino-4-[(2-hydroxyphenyl)methylene]-1H-imidazol-5-one","","C1=CC=C(C(=C1)C=C2C(=O)NC(=N2)NN)O","ZQWSTWAHDJCBPC-ALCCZGGFSA-N","135494018",NA,"PDBC05359","691980","Present"
-"(4Z)-2-Methyl-4-pyridin-2-yliminobenzo[f][1,3]benzoxazol-9-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Methyl-4-pyridin-2-yliminobenzo[f][1,3]benzoxazol-9-one","","CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4=CC=CC=N4","STSWKZPCZLWPBD-ZHZULCJRSA-N","9571984",NA,"PDBC05360","682435","Present"
-"(4Z)-2-Methylsulfanyl-4-(p-tolylmethylene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Methylsulfanyl-4-(p-tolylmethylene)-1H-imidazol-5-one","","CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)SC","JRWSDJXMKPOFRX-YFHOEESVSA-N","135484995",NA,"PDBC05361","684332","Present"
-"(4Z)-2-Morpholino-4-(2-thienylmethylene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Morpholino-4-(2-thienylmethylene)-1H-imidazol-5-one","","C1COCCN1C2=NC(=CC3=CC=CS3)C(=O)N2","OELMVZUPDJYSLN-NTMALXAHSA-N","135493955",NA,"PDBC05362","684355","Present"
-"(4Z)-2-Morpholino-4-(p-tolylmethylene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Morpholino-4-(p-tolylmethylene)-1H-imidazol-5-one","","CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCOCC3","RZWPFFRVIPCUTO-RAXLEYEMSA-N","135493958",NA,"PDBC05363","684358","Present"
-"(4Z)-2-Phenyl-4-[(2,4,6-trihydroxyphenyl)methylene]oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Phenyl-4-[(2,4,6-trihydroxyphenyl)methylene]oxazol-5-one","","C1=CC=C(C=C1)C2=NC(=CC3=C(C=C(C=C3O)O)O)C(=O)O2","HBPJBCVFXXCNNI-WQLSENKSSA-N","5387543",NA,"PDBC05364","624449","Present"
-"(4Z)-2-Phenyl-4-pyrrolidin-2-ylidene-5-(1H-pyrrol-2-yl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Phenyl-4-pyrrolidin-2-ylidene-5-(1H-pyrrol-2-yl)pyrazol-3-one","","C1CC(=NC1)C2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CN4","ZCOABKTZTXMCIL-UHFFFAOYSA-N","392534",NA,"PDBC05365","693050","Present"
-"(4Z)-2-Tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one","","CC(C)(C)N1CC2=C(C(=CC(=C2)OC)OC)C(=CSC3=CC=CC=C3)C1=O","BTVJZKDAGKMZLM-JXAWBTAJSA-N","5470814",NA,"PDBC05366","705333","Present"
-"(4Z)-2-[(2E)-2-(1H-Indol-3-ylmethylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-[(2E)-2-(1H-Indol-3-ylmethylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one","","C1=CC=C2C(=C1)C(=CN2)C=NNC3=NC(=CC4=CC=CS4)C(=O)N3","XSXCFOJWXALSHG-LXNAZNJWSA-N","135440628",NA,"PDBC05367","704857","Present"
-"(4Z)-2-[(2E)-2-(2,3,4,5,6-Pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-[(2E)-2-(2,3,4,5,6-Pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one","","C1=CSC(=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","MAGJUPNOVKSNDM-HRKCWBCCSA-N","135505207",NA,"PDBC05368","704860","Present"
-"(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one","","C1=CC=C(C=C1)C=NNC2=NC(=CC3=CC=CO3)C(=O)N2","JBVSHLLXEPXXIV-XMHXKSDUSA-N","135450762",NA,"PDBC05369","706026","Present"
-"(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one","","C1=CC=C(C=C1)C=NNC2=NC(=CC3=CC=CS3)C(=O)N2","LMZNIZZDKFTZDP-XMHXKSDUSA-N","135407733",NA,"PDBC05370","704854","Present"
-"(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=CC=C3","KZPGSLSYDJTVPH-XYGMCREWSA-N","135505224",NA,"PDBC05371","706028","Present"
-"(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-(2-thienylmethylene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-(2-thienylmethylene)-1H-imidazol-5-one","","C1CC(CN(C1)C2=NC(=CC3=CC=CS3)C(=O)N2)CO","NEQDBUMMSAARDM-GHXNOFRVSA-N","135493943",NA,"PDBC05372","684343","Present"
-"(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-(p-tolylmethylene)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-(p-tolylmethylene)-1H-imidazol-5-one","","CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCCC(C3)CO","FUTXWLHZIYPGQM-DHDCSXOGSA-N","135493942",NA,"PDBC05373","684342","Present"
-"(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-[(4-hydroxyphenyl)methylene]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-[(4-hydroxyphenyl)methylene]-1H-imidazol-5-one","","C1CC(CN(C1)C2=NC(=CC3=CC=C(C=C3)O)C(=O)N2)CO","QATKHRHCBVOOIM-ZSOIEALJSA-N","135493944",NA,"PDBC05374","684344","Present"
-"(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-[(4-methoxyphenyl)methylene]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-[(4-methoxyphenyl)methylene]-1H-imidazol-5-one","","COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCCC(C3)CO","IUVAWDVDMAMFQQ-DHDCSXOGSA-N","135493940",NA,"PDBC05375","684340","Present"
-"(4Z)-2-[Chloro(phenyl)methyl]-4-(ethoxymethylene)oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-[Chloro(phenyl)methyl]-4-(ethoxymethylene)oxazol-5-one","","CCOC=C1C(=O)OC(=N1)C(C2=CC=CC=C2)Cl","UCDJNAAUMIQNQM-NTMALXAHSA-N","3000673",NA,"PDBC05376","636346","Present"
-"(4Z)-3,3,5-Triethyl-1-hydroxy-4-hydroxyimino-5-vinyl-pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","(4Z)-3,3,5-Triethyl-1-hydroxy-4-hydroxyimino-5-vinyl-pyrrolidin-2-one","","CCC1(C(=NO)C(N(C1=O)O)(CC)C=C)CC","IRSVLDUDCDYSRS-LCYFTJDESA-N","9570024",NA,"PDBC05377","633480","Present"
-"(4Z)-4-(1,3-Benzodioxol-5-ylmethylene)isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Z)-4-(1,3-Benzodioxol-5-ylmethylene)isoquinoline-1,3-dione","","C1OC2=C(O1)C=C(C=C2)C=C3C4=CC=CC=C4C(=O)NC3=O","YQAYURQPWKSPDG-QPEQYQDCSA-N","5469072",NA,"PDBC05378","682563","Present"
-"(4Z)-4-(1-Methylpyrrolidin-2-ylidene)-2-phenyl-5-(1H-pyrrol-2-yl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(1-Methylpyrrolidin-2-ylidene)-2-phenyl-5-(1H-pyrrol-2-yl)pyrazol-3-one","","CN1CCCC1=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CN4","QOHDNECQTLUWCS-NXVVXOECSA-N","135494023",NA,"PDBC05379","694954","Present"
-"(4Z)-4-(2-Furylmethylene)-2-(1-piperidyl)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(2-Furylmethylene)-2-(1-piperidyl)-1H-imidazol-5-one","","C1CCN(CC1)C2=NC(=CC3=CC=CO3)C(=O)N2","WIEFYYYEPSSZHM-LUAWRHEFSA-N","135493938",NA,"PDBC05380","684338","Present"
-"(4Z)-4-(2-Furylmethylene)-2-hydrazino-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(2-Furylmethylene)-2-hydrazino-1H-imidazol-5-one","","C1=COC(=C1)C=C2C(=O)NC(=N2)NN","RKRQFFNKFZKXRK-XQRVVYSFSA-N","135494002",NA,"PDBC05381","690963","Present"
-"(4Z)-4-(2-Furylmethylene)-2-morpholino-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(2-Furylmethylene)-2-morpholino-1H-imidazol-5-one","","C1COCCN1C2=NC(=CC3=CC=CO3)C(=O)N2","GIRLTLLUUVVRRH-NTMALXAHSA-N","135493956",NA,"PDBC05382","684356","Present"
-"(4Z)-4-(2-Furylmethylene)-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(2-Furylmethylene)-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC=CO2)C(=O)CC3=CC=CC=C3","OMOHSILMBNIQKR-PTNGSMBKSA-N","5467435",NA,"PDBC05383","652200","Present"
-"(4Z)-4-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-5-methyl-2-phenyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-5-methyl-2-phenyl-pyrazol-3-one","","CC1=NN(C(=O)C1=C2C3=CC=CC=C3C(S2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","YGLGYZMZGFRWLS-DQSJHHFOSA-N","3004519",NA,"PDBC05384","658175","Present"
-"(4Z)-4-(3,4-Dichlorobenzylidene)-2-(2-furyl)-1,3-oxazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(3,4-Dichlorobenzylidene)-2-(2-furyl)-1,3-oxazol-5(4H)-one","","C1=COC(=C1)C2=NC(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)O2","DLQGKIOQLWXJIL-XFFZJAGNSA-N","5351262",NA,"PDBC05385","202000","Present"
-"(4Z)-4-(4-Chlorobenzylidene)-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","5(4H)-Oxazolone, 4-[(4-chlorophenyl)methylene]-2-(4-nitr...","","C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])Cl","MZYTVWRLTXNNSE-ZROIWOOFSA-N","695905",NA,"PDBC05386","201736","Present"
-"(4Z)-4-(Carbamothioylhydrazinylidene)-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","(4Z)-4-(Carbamothioylhydrazinylidene)-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide","","CC1=CC=CC=C1NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=CC=CC=C3C","IWGALPMHLJKRMA-KQWNVCNZSA-N","9569829",NA,"PDBC05387","621157","Present"
-"(4Z)-4-(Carbamothioylhydrazinylidene)-N,1-bis(3,4-dimethylphenyl)-2,5-dioxopyrrolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","(4Z)-4-(Carbamothioylhydrazinylidene)-N,1-bis(3,4-dimethylphenyl)-2,5-dioxopyrrolidine-3-carboxamide","","CC1=C(C=C(C=C1)NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)C","ZVYPPMGYVRQINL-BWAHOGKJSA-N","9569830",NA,"PDBC05388","621160","Present"
-"(4Z)-4-(Dimethylhydrazono)-1,1,1-trifluoro-4-(3-methoxyphenyl)-2-(trifluoromethyl)butan-2-ol","","","","","","","","","","","","","","","","","","","","(4Z)-4-(Dimethylhydrazono)-1,1,1-trifluoro-4-(3-methoxyphenyl)-2-(trifluoromethyl)butan-2-ol","","CN(C)N=C(CC(C(F)(F)F)(C(F)(F)F)O)C1=CC(=CC=C1)OC","IDIWYAFOWKHUEL-NHDPSOOVSA-N","9571446",NA,"PDBC05389","664341","Present"
-"(4Z)-4-(Dimethylhydrazono)-1,1,1-trifluoro-4-(4-nitrophenyl)-2-(trifluoromethyl)butan-2-ol","","","","","","","","","","","","","","","","","","","","(4Z)-4-(Dimethylhydrazono)-1,1,1-trifluoro-4-(4-nitrophenyl)-2-(trifluoromethyl)butan-2-ol","","CN(C)N=C(CC(C(F)(F)F)(C(F)(F)F)O)C1=CC=C(C=C1)[N+](=O)[O-]","AOPUDTOSBKIPBX-JMIUGGIZSA-N","5920139",NA,"PDBC05390","664340","Present"
-"(4Z)-4-(Furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(Furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one","","C1=CC=C(C=C1)NNC2=NC(=CC3=CC=CO3)C(=O)N2","GCTJNKUTZIFIJT-XFXZXTDPSA-N","135505223",NA,"PDBC05391","706025","Present"
-"(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one","","C1=COC(=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","MGLDYSSXJJJUEU-HRKCWBCCSA-N","135505206",NA,"PDBC05392","704859","Present"
-"(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one","","C1=COC(=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O","NSUPLEXBOCFUFS-NYQUBNGWSA-N","135505209",NA,"PDBC05393","704862","Present"
-"(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one","","C1=COC(=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=CS3","PJHSHEKNGQKUIX-WIFBXHMDSA-N","135471536",NA,"PDBC05394","704856","Present"
-"(4Z)-4-(Furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-(Furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one","","CCCSC1=NC(=CC2=CC=CO2)C(=O)N1","PVGOLORXGVPNHA-CLFYSBASSA-N","135505218",NA,"PDBC05395","704877","Present"
-"(4Z)-4-Benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","(4Z)-4-Benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","LHSILRBCRDZVTK-PLMZOXRSSA-M","5469866",NA,"PDBC05396","693575","Present"
-"(4Z)-4-Benzylidene-2-(1-piperidyl)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-Benzylidene-2-(1-piperidyl)-1H-imidazol-5-one","","C1CCN(CC1)C2=NC(=CC3=CC=CC=C3)C(=O)N2","DHDTXFMVVIDZQQ-QBFSEMIESA-N","135493933",NA,"PDBC05397","684333","Present"
-"(4Z)-4-Benzylidene-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-Benzylidene-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one","","C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Cl","KFOCYQMPTOGCSL-UVTDQMKNSA-N","5706050",NA,"PDBC05398","148172","Present"
-"(4Z)-4-Benzylidene-2-[3-(hydroxymethyl)-1-piperidyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-Benzylidene-2-[3-(hydroxymethyl)-1-piperidyl]-1H-imidazol-5-one","","C1CC(CN(C1)C2=NC(=CC3=CC=CC=C3)C(=O)N2)CO","LYEROMREEBOERO-ZROIWOOFSA-N","135493939",NA,"PDBC05399","684339","Present"
-"(4Z)-4-Benzylidene-2-morpholino-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","STK664244","","C1COCCN1C2=NC(=CC3=CC=CC=C3)C(=O)N2","ISBBROSCHSZFHK-BENRWUELSA-N","135493952",NA,"PDBC05400","684352","Present"
-"(4Z)-4-Benzylidene-7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-Benzylidene-7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one","","CC1=CC2=C(C=C1)S(=O)(=O)CCC(=CC3=CC=CC=C3)C2=O","LXZWDAWTTUFPMD-QINSGFPZSA-N","5469701",NA,"PDBC05401","691567","Present"
-"(4Z)-4-Benzylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),5,11-triene-3,9-dione","","","","","","","","","","","","","","","","","","","","(4Z)-4-Benzylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),5,11-triene-3,9-dione","","C1=CC=C(C=C1)C=C2C(=O)N3C4=C(C(=O)NC=N4)SC3=N2","ZMSKJGKLUVYUKZ-TWGQIWQCSA-N","135493961",NA,"PDBC05402","684400","Present"
-"(4Z)-4-Hydrazinylidene-2,5-dioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","(4Z)-4-Hydrazinylidene-2,5-dioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide","","C1=CC=C(C=C1)CCNC(=O)C2C(=NN)C(=O)N(C2=O)CCC3=CC=CC=C3","SNIXUUSVOADQCO-MOHJPFBDSA-N","5908763",NA,"PDBC05403","621159","Present"
-"(4Z)-4-[(2,5-Dichlorophenyl)methylene]-2-phenyl-oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(2,5-Dichlorophenyl)methylene]-2-phenyl-oxazol-5-one","","C1=CC=C(C=C1)C2=NC(=CC3=C(C=CC(=C3)Cl)Cl)C(=O)O2","UZTSALONRCHSCZ-ZROIWOOFSA-N","5388017",NA,"PDBC05404","630887","Present"
-"(4Z)-4-[(2-Chlorophenyl)methylene]-2-[(4-fluorophenyl)methylamino]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(2-Chlorophenyl)methylene]-2-[(4-fluorophenyl)methylamino]-1H-imidazol-5-one","","C1=CC=C(C(=C1)C=C2C(=O)NC(=NCC3=CC=C(C=C3)F)N2)Cl","HEIUUWQXHLAUMW-DHDCSXOGSA-N","135436197",NA,"PDBC05405","713592","Present"
-"(4Z)-4-[(2-Hydroxy-1-naphthyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(2-Hydroxy-1-naphthyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","CC1=C(C(=O)N(N1)C(=O)CC2=CC=CC=C2)C=C3C(=O)C=CC4=CC=CC=C43","HFWIHSANEYYNGB-ZHZULCJRSA-N","5465542",NA,"PDBC05406","652202","Present"
-"(4Z)-4-[(2-Hydroxyphenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(2-Hydroxyphenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one","","C1CCN(CC1)C2=NC(=CC3=CC=CC=C3O)C(=O)N2","CRLSHISSTRDMDV-BENRWUELSA-N","135493959",NA,"PDBC05407","684374","Present"
-"(4Z)-4-[(2-Hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(2-Hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one","","C1COCCN1C2=NC(=CC3=CC=CC=C3O)C(=O)N2","LXDQCWZMGYHSRZ-LUAWRHEFSA-N","135493960",NA,"PDBC05408","684375","Present"
-"(4Z)-4-[(2-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(2-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC=CC=C2O)C(=O)CC3=CC=CC=C3","GZGQOCYODSZNHY-VBKFSLOCSA-N","135499339",NA,"PDBC05409","652193","Present"
-"(4Z)-4-[(2-Hydroxyphenyl)methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(2-Hydroxyphenyl)methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one","","C1=CC=C(C=C1)NNC2=NC(=CC3=CC=CC=C3O)C(=O)N2","CJSWZAXLFCTHGQ-RAXLEYEMSA-N","135505214",NA,"PDBC05410","704873","Present"
-"(4Z)-4-[(2-Methoxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(2-Methoxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC=CC=C2OC)C(=O)CC3=CC=CC=C3","JEYDXNXMRWPXGG-LGMDPLHJSA-N","5467437",NA,"PDBC05411","652203","Present"
-"(4Z)-4-[(3,4-Dimethoxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(3,4-Dimethoxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C(=O)CC3=CC=CC=C3","AWHMCSBDKXWJBK-BOPFTXTBSA-N","5467433",NA,"PDBC05412","652198","Present"
-"(4Z)-4-[(3,4-Dimethoxyphenyl)methylene]-6,7-dimethoxy-2-methyl-isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(3,4-Dimethoxyphenyl)methylene]-6,7-dimethoxy-2-methyl-isoquinoline-1,3-dione","","CN1C(=O)C2=CC(=C(C=C2C(=CC3=CC(=C(C=C3)OC)OC)C1=O)OC)OC","GFMBUNRCQVVVFS-ZSOIEALJSA-N","5468998",NA,"PDBC05413","681109","Present"
-"(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","1,3-Isoquinolinedione, 4-[(3,4-dimethoxyphenyl)methylene]-","","COC1=C(C=C(C=C1)C=C2C3=CC=CC=C3C(=O)NC2=O)OC","WOSBOVLYMBDENC-ZROIWOOFSA-N","5467321",NA,"PDBC05414","650599","Present"
-"(4Z)-4-[(3-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(3-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=CC=C2)O)C(=O)CC3=CC=CC=C3","QRIGOGMCMBHXSL-BOPFTXTBSA-N","5467431",NA,"PDBC05415","652196","Present"
-"(4Z)-4-[(4-Chlorophenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Chlorophenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one","","C1CCN(CC1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2","FVKMICSOLCIMKB-RAXLEYEMSA-N","135493937",NA,"PDBC05416","684337","Present"
-"(4Z)-4-[(4-Chlorophenyl)methylene]-2-[3-(hydroxymethyl)-1-piperidyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Chlorophenyl)methylene]-2-[3-(hydroxymethyl)-1-piperidyl]-1H-imidazol-5-one","","C1CC(CN(C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2)CO","BHRTVEFXRLAEGA-ZSOIEALJSA-N","135493941",NA,"PDBC05417","684341","Present"
-"(4Z)-4-[(4-Chlorophenyl)methylene]-2-morpholino-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Chlorophenyl)methylene]-2-morpholino-1H-imidazol-5-one","","C1COCCN1C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2","CTGDQSRQCIOSSL-XFXZXTDPSA-N","135493953",NA,"PDBC05418","684353","Present"
-"(4Z)-4-[(4-Hydroxy-3-methoxy-phenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Hydroxy-3-methoxy-phenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)O)OC)C(=O)CC3=CC=CC=C3","NYWQZMIMTHVOQS-YBEGLDIGSA-N","135499341",NA,"PDBC05419","652197","Present"
-"(4Z)-4-[(4-Hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one","","C1COCCN1C2=NC(=CC3=CC=C(C=C3)O)C(=O)N2","KBQRQNYGGFOQDC-XFXZXTDPSA-N","135493957",NA,"PDBC05420","684357","Present"
-"(4Z)-4-[(4-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C(=O)CC3=CC=CC=C3","DMXHTPQLIBXFEJ-BOPFTXTBSA-N","135499340",NA,"PDBC05421","652194","Present"
-"(4Z)-4-[(4-Hydroxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Hydroxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one","","C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])O","MUXRKJVUDYSSFT-ZROIWOOFSA-N","5787063",NA,"PDBC05422","201904","Present"
-"(4Z)-4-[(4-Methoxyphenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Methoxyphenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one","","COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCCCC3","IFPFUYKQDOQAKY-KAMYIIQDSA-N","135493934",NA,"PDBC05423","684334","Present"
-"(4Z)-4-[(4-Methoxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Methoxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one","","COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCOCC3","GWEABSKVOSVKRI-RAXLEYEMSA-N","135493954",NA,"PDBC05424","684354","Present"
-"(4Z)-4-[(4-Methoxyphenyl)methylidene]-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),5,11-triene-3,9-dione","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Methoxyphenyl)methylidene]-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),5,11-triene-3,9-dione","","COC1=CC=C(C=C1)C=C2C(=O)N3C4=C(C(=O)NC=N4)SC3=N2","RKQGOUPCFVDXSX-POHAHGRESA-N","135493962",NA,"PDBC05425","684401","Present"
-"(4Z)-4-[(4-Nitrophenyl)hydrazinylidene]pentanoic acid","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(4-Nitrophenyl)hydrazinylidene]pentanoic acid","","CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])CCC(=O)O","URXGWHZLEDEINF-WQLSENKSSA-N","6369925",NA,"PDBC05426","23936","Present"
-"(4Z)-4-[(5-Hydroxy-1,3-diphenyl-pyrazol-4-yl)methylene]-2,5-diphenyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(5-Hydroxy-1,3-diphenyl-pyrazol-4-yl)methylene]-2,5-diphenyl-pyrazol-3-one","","C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=C(N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)O)C6=CC=CC=C6","JSSGCLAUFYOTTI-MEFGMAGPSA-N","135494014",NA,"PDBC05427","691427","Present"
-"(4Z)-4-[Bromo(iodo)methylidene]-5,8,8-trimethylbicyclo[3.2.1]octan-3-one","","","","","","","","","","","","","","","","","","","","2-[(Z)-Bromoiodomethylidene]-1,8,8-trimethylbicyclo[3.2....","","CC1(C2CCC1(C(=C(Br)I)C(=O)C2)C)C","VAHZRVBELPSBEY-MDZDMXLPSA-N","5468138",NA,"PDBC05428","664946","Present"
-"(4Z)-4-[[4-(3,4-Dichlorophenoxy)phenyl]methylene]-2-phenyl-oxazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[[4-(3,4-Dichlorophenoxy)phenyl]methylene]-2-phenyl-oxazol-5-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)OC4=CC(=C(C=C4)Cl)Cl)C(=O)O2","ADPNZQKYVCZNGB-NDENLUEZSA-N","5388020",NA,"PDBC05429","630891","Present"
-"(4Z)-4-[[4-(Carboxymethyl)phenyl]hydrazono]-3-keto-2-naphthoic acid","","","","","","","","","","","","","","","","","","","","2-Naphthoic acid, 4-[(.alpha.-carboxy-p-tolyl)azo]-3-hyd...","","C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)CC(=O)O)O)C(=O)O","UNQQNQMZKMGLBJ-UHFFFAOYSA-N","291363",NA,"PDBC05430","156563","Present"
-"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C=C(C=C3)O)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","FCWQEEIPUGZKHR-UHFFFAOYSA-N","5469862",NA,"PDBC05431","693573","Present"
-"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NNC3=CC=CC=C3","SYOPARNWMBYTOQ-VBKFSLOCSA-N","135505216",NA,"PDBC05432","704875","Present"
-"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=CC=C3O","WYEJQPADWQZZGG-ULQIOQDBSA-N","135505217",NA,"PDBC05433","704876","Present"
-"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1H-imidazol-5-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=C(C=C3)N(C)C","NLSHLNRECJUUDE-JWZHWXDPSA-N","135505225",NA,"PDBC05434","706029","Present"
-"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-hydrazinyl-1H-imidazol-5-one","","","","","","","","","","","","","","","","","","","","(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-hydrazinyl-1H-imidazol-5-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN","RDAUBZPSUZWKLW-YFHOEESVSA-N","135505215",NA,"PDBC05435","704874","Present"
-"(4Z)-4-[[4-[Bis(2-chloroethyl)amino]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one","","","","","","","","","","","","","","","","","","","","2-Oxazolin-5-one, 4-[p-[bis(2-chloroethyl)amino] benzyli...","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCCl)CCCl)C(=O)O2","XLPONWKZDMLPSZ-JXAWBTAJSA-N","5351218",NA,"PDBC05436","104117","Present"
-"(4Z)-5-Ethenyl-3-ethyl-1-hydroxy-4-hydroxyimino-3,5-dimethylpyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","(4Z)-5-Ethenyl-3-ethyl-1-hydroxy-4-hydroxyimino-3,5-dimethylpyrrolidin-2-one","","CCC1(C(=NO)C(N(C1=O)O)(C)C=C)C","MGUUAICPDWPMKL-XFFZJAGNSA-N","6516262",NA,"PDBC05437","629128","Present"
-"(4Z)-5-Methyl-2-(2-phenylacetyl)-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-5-Methyl-2-(2-phenylacetyl)-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)CC3=CC=CC=C3","OJNHERKBJWOGLJ-YVLHZVERSA-N","5467436",NA,"PDBC05438","652201","Present"
-"(4Z)-5-Methyl-2-(2-phenylacetyl)-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-5-Methyl-2-(2-phenylacetyl)-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one","","CC1=NN(C(=O)C1=CC=CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3","ZCLSHQBPZSFVRO-ILPOUQNUSA-N","5908675",NA,"PDBC05439","652199","Present"
-"(4Z)-5-Methyl-4-[(4-nitrophenyl)methylidene]-2-(2-phenylacetyl)pyrazol-3-one","","","","","","","","","","","","","","","","","","","","(4Z)-5-Methyl-4-[(4-nitrophenyl)methylene]-2-(2-phenylacetyl)pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3","UUPIMSQGFPXGIU-BOPFTXTBSA-N","5467430",NA,"PDBC05440","652195","Present"
-"(4Z)-7-Methyl-N-(4-methylphenyl)sulfonyl-5-phenyl-2,6,7,9-tetraza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),2,4,8,10,12-hexaene-4-carboximidate","","","","","","","","","","","","","","","","","","","","(4Z)-7-Methyl-N-(4-methylphenyl)sulfonyl-5-phenyl-2,6,7,9-tetraza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),2,4,8,10,12-hexaene-4-carboximidate","","CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=C(NN(C3=NC4=CC=CC=[N+]4N=C23)C)C5=CC=CC=C5)[O-]","DSRZZLDPRAAWDA-UHFFFAOYSA-N","135505244",NA,"PDBC05441","708374","Present"
-"(4Z)-N-(2H-Tetrazol-5-yl)pyridine-4-carbohydrazonoyl bromide;hydrobromide","","","","","","","","","","","","","","","","","","","","(4Z)-N-(2H-Tetrazol-5-yl)pyridine-4-carbohydrazonoyl bromide;hydrobromide","","C1=CN=CC=C1C(=NNC2=NNN=N2)Br.Br","HPHDESDBESXEST-OTUCAILMSA-N","9601202",NA,"PDBC05442","166598","Present"
-"(4Z)-N-(3,4-Dimethylphenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-7,7-dimethyl-6-oxooctanamide","","","","","","","","","","","","","","","","","","","","(4Z)-N-(3,4-Dimethylphenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-7,7-dimethyl-6-oxooctanamide","","CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C(=O)NN)CC(=O)C(C)(C)C)C","VIVLTDBJIFUSLH-IWIPYMOSSA-N","9574383",NA,"PDBC05443","631667","Present"
-"(4Z)-N-[(2-Chlorobenzylidene)amino]-4-(dimethylaminohydrazono)-5-methyl-pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","(4Z)-N-[(2-Chlorobenzylidene)amino]-4-(dimethylaminohydrazono)-5-methyl-pyrazole-3-carboxamide","","CC1=C(C(=NN1)C(=O)NN=CC2=CC=CC=C2Cl)N=NN(C)C","XCBMEIMBCIKJPR-HMTBYHENSA-N","135545659",NA,"PDBC05444","131257","Present"
-"(4Z,5E)-1-(4-Methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-3-(2-nitrophenyl)imidazolidine-2-thione","","","","","","","","","","","","","","","","","","","","(4e,5z)-1-(4-Methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-3-(2-nitrophenyl)imidazolidine-2-thione","","COC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)OC)N(C(=S)N2C4=CC=C(C=C4)OC)C5=CC=CC=C5[N+](=O)[O-]","RLKCLWIJDHJXSF-UHFFFAOYSA-N","383283",NA,"PDBC05445","671397","Present"
-"(4Z,5Z)-1-Acridin-9-yl-4,5-bis[[5-(diethylamino)pentan-2-ylamino]-(3-methoxyphenyl)methylidene]diazinane-3,6-dione","","","","","","","","","","","","","","","","","","","","(4Z,5Z)-1-(Acridin-9-yl)-4,5-bis[{[(2RS)-5-(diethylamino...","","CCN(CC)CCCC(C)NC(=C1C(=C(C2=CC(=CC=C2)OC)NC(C)CCCN(CC)CC)C(=O)N(NC1=O)C3=C4C=CC=CC4=NC5=CC=CC=C53)C6=CC(=CC=C6)OC","LGTUVORQFXSTHB-NTMZJGNDSA-N","155816291",NA,"PDBC05446","767902","Present"
-"(4Z,5Z)-1-[(E)-(2-Hydroxy-4-pyrrolidin-1-yl-phenyl)methyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione","","","","","","","","","","","","","","","","","","","","1-[(E)-(2-Hydroxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione","","C1CCN(C1)C2=CC(=C(C=C2)C=NN3C(=NC4=CC=CC=C4)C(=NC5=CC=CC=C5)N(C3=S)C6=CC=CC=C6)O","FXUKNUIKIUNZFV-LCZBSKGZSA-N","135499661",NA,"PDBC05447","671410","Present"
-"(4Z,5Z)-1-[(E)-(2-Hydroxyphenyl)methyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione","","","","","","","","","","","","","","","","","","","","(4Z,5Z)-1-[(E)-(2-Hydroxyphenyl)methyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=S)N2C4=CC=CC=C4)N=CC5=CC=CC=C5O","KWUIQNODWOOZHT-QVDNPPBZSA-N","135509182",NA,"PDBC05448","671409","Present"
-"(4Z,5Z)-1-[(E)-9-Anthrylmethyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione","","","","","","","","","","","","","","","","","","","","(4Z,5Z)-1-[(E)-9-Anthrylmethyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=S)N2C4=CC=CC=C4)N=CC5=C6C=CC=CC6=CC7=CC=CC=C75","LQKXGPXTSANBOI-MXJWHCOYSA-N","9556175",NA,"PDBC05449","671406","Present"
-"(4Z,6Z)-4,6-Dibenzylidene-2,2-dimethyl-1,3-dioxan-5-one","","","","","","","","","","","","","","","","","","","","(4Z,6Z)-4,6-Dibenzylidene-2,2-dimethyl-1,3-dioxan-5-one","","CC1(OC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)O1)C","QGRDVHZIDHEPCR-JTFWXBGUSA-N","5387558",NA,"PDBC05450","624512","Present"
-"(4Z,9Z)-2-Methyl-N,N'-diphenylnaphth[2,3-d]oxazole-4,9-diimine","","","","","","","","","","","","","","","","","","","","(4Z,9Z)-2-Methyl-N,N'-diphenylnaphth[2,3-d]oxazole-4,9-diimine","","CC1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=CC=CC=C4C2=NC5=CC=CC=C5","CQWANUMSMQMLNZ-UHFFFAOYSA-N","373682",NA,"PDBC05451","650572","Present"
-"(4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-Octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone","","","","","","","","","","","","","","","","","","","","Octamethyl-cycloeicosa-4,9,14,19-tetraen-1,3,6,8,11,13,16,18-octaone","","CC1(C(=O)C=CC(=O)C(C(=O)C=CC(=O)C(C(=O)C=CC(=O)C(C(=O)C=CC1=O)(C)C)(C)C)(C)C)C","ZESYLGKHDBKSPD-LUHLCGLTSA-N","5387612",NA,"PDBC05452","625155","Present"
-"(5',6'-Diacetyloxy-1',3'-dioxospiro[1,2-dihydroindene-3,2'-3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene]-8'-yl) acetate","","","","","","","","","","","","","","","","","","","","(5',6'-Diacetyloxy-1',3'-dioxospiro[1,2-dihydroindene-3,2'-3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene]-8'-yl) acetate","","CC(=O)OC1=CC(=C(C2=C1CC3C(C2)C(=O)C4(C3=O)CCC5=CC=CC=C45)OC(=O)C)OC(=O)C","XJVZXWIZAYAVHC-UHFFFAOYSA-N","360672",NA,"PDBC05453","622990","Present"
-"(5'Z,8Z)-6',8-Dimethyl-3',11-bis(prop-1-en-2-yl)spiro[3,4,5,6,7,10,11,12-octahydrocyclodeca[b]pyran-2,10'-cyclodec-5-ene]-1'-one","","","","","","","","","","","","","","","","","","","","(5'Z,8Z)-6',8-Dimethyl-3',11-bis(prop-1-en-2-yl)spiro[3,4,5,6,7,10,11,12-octahydrocyclodeca[b]pyran-2,10'-cyclodec-5-ene]-1'-one","","CC1=CCC(CC2=C(CCC1)CCC3(O2)CCCC(=CCC(CC3=O)C(=C)C)C)C(=C)C","DMKVPFLNEBAOOV-KBZHBASMSA-N","5467537",NA,"PDBC05454","655265","Present"
-"(5,10,11-Trimethylpyrido[2,3-b]carbazol-7-yl)methanol","","","","","","","","","","","","","","","","","","","","(5,10,11-Trimethyl-10H-pyrido[2,3-b]carbazol-7-yl)methanol","","CC1=C2C=CC=NC2=C(C3=C1C4=C(N3C)C=CC(=C4)CO)C","CMUBKFXXZKGNDR-UHFFFAOYSA-N","155815754",NA,"PDBC05455","802082","Present"
-"(5,10,11-Trimethylpyrido[3,4-b]carbazol-7-yl)methanol","","","","","","","","","","","","","","","","","","","","(5,10,11-Trimethyl-10H-pyrido[3,4-b]carbazol-7-yl)methanol","","CC1=C2C=CN=CC2=C(C3=C1C4=C(N3C)C=CC(=C4)CO)C","XTLGSAQUBLLZQB-UHFFFAOYSA-N","155805418",NA,"PDBC05456","790091","Present"
-"(5,11,12-Triacetyloxy-1,8-dimethyl-4-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl) acetate","","","","","","","","","","","","","","","","","","","","(5,11,12-Triacetyloxy-1,8-dimethyl-4-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl) acetate","","CC(=O)OC1=C(C=C2C(=C1)C3(CCC2(C4=CC(=C(C=C43)OC(=O)C)OC(=O)C)C)C)OC(=O)C","WWZMNWPBSWGKRZ-UHFFFAOYSA-N","361632",NA,"PDBC05457","624849","Present"
-"(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl butanoate;iodide","","","","","","","","","","","","","","","","","","","","2-[(Butanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]","MHFNPONSZNFGGV-UHFFFAOYSA-N","367407",NA,"PDBC05458","637129","Present"
-"(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl heptanoate;iodide","","","","","","","","","","","","","","","","","","","","2-[(Heptanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CCCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]","UAWZPKFEEFOKRF-UHFFFAOYSA-N","367413",NA,"PDBC05459","637132","Present"
-"(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl hexanoate;iodide","","","","","","","","","","","","","","","","","","","","2-[(Hexanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]","QXVRHBROPZKZBG-UHFFFAOYSA-N","367411",NA,"PDBC05460","637131","Present"
-"(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl pentanoate;iodide","","","","","","","","","","","","","","","","","","","","5,11-Dimethyl-2-[(pentanoyloxy)methyl]-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]","GFNLDOQDGDNRGT-UHFFFAOYSA-N","367409",NA,"PDBC05461","637130","Present"
-"(5,5'-Ditert-butyl-2'-((dimethylamino)methyl)[1,1'-biphenyl]-2-yl)-N,N-dimethylmethanamine","","","","","","","","","","","","","","","","","","","","(5,5'-Ditert-butyl-2'-((dimethylamino)methyl)[1,1'-biphenyl]-2-yl)-N,N-dimethylmethanamine","","CC(C)(C)C1=CC(=C(C=C1)CN(C)C)C2=C(C=CC(=C2)C(C)(C)C)CN(C)C","IBOBEXDBNVGMKY-UHFFFAOYSA-N","278497",NA,"PDBC05462","128166","Present"
-"(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate","","","","","","","","","","","","","","","","","","","","(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate","","CCOP(=O)(OCC)OP1OCC(CO1)(C)C","ZKAPWMRNCPEOOG-UHFFFAOYSA-N","371770",NA,"PDBC05463","646214","Present"
-"(5,5-Dimethyl-4,5-dihydro-1H-pyrazol-3-yl)(triphenyl)phosphanium bromide","","","","","","","","","","","","","","","","","","","","Phosphonium, (4,5-dihydro-5,5-dimethyl-1H-pyrazol-3-yl)t...","","CC1(CC(=NN1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]","LROCHYALKGVSHL-UHFFFAOYSA-M","21157570",NA,"PDBC05464","219241","Present"
-"(5,6,7-Trimethoxy-benzothiazol-2-YL)-carbamic acid ethyl ester","","","","","","","","","","","","","","","","","","","","5,6,7-Trimethoxy-benzothiazol-2-yl-carbamic acid ethyl e...","","CCOC(=O)NC1=NC2=CC(=C(C(=C2S1)OC)OC)OC","FUJBDYFCRBDDRE-UHFFFAOYSA-N","3510327",NA,"PDBC05465","764926","Present"
-"(5,6-Diacetyloxy-1,3-dioxospiro[cyclopenta[g]naphthalene-2,1'-cyclopentane]-8-yl) acetate","","","","","","","","","","","","","","","","","","","","(5,6-Diacetyloxy-1,3-dioxospiro[cyclopenta[g]naphthalene-2,1'-cyclopentane]-8-yl) acetate","","CC(=O)OC1=CC(=C(C2=CC3=C(C=C21)C(=O)C4(C3=O)CCCC4)OC(=O)C)OC(=O)C","LXRVGAIWLBTWPC-UHFFFAOYSA-N","360671",NA,"PDBC05466","622989","Present"
-"(5,7-Dibromo-8-hydroxy-3-methyl-2-quinolinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(5,7-Dibromo-8-hydroxy-3-methyl-2-quinolinyl)(phenyl)methanone","","CC1=CC2=C(C(=C(C=C2Br)Br)O)N=C1C(=O)C3=CC=CC=C3","NGWZHHIVXCJLBA-UHFFFAOYSA-N","370210",NA,"PDBC05467","642954","Present"
-"(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea","","","","","","","","","","","","","","","","","","","","(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea","","C1=C(C=C(C2=C1C(=C(N2)O)N=NC(=S)N)Cl)Cl","GKSLZALVBZPVCW-UHFFFAOYSA-N","3736607",NA,"PDBC05468","73305","Present"
-"(5,7-Dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene","","","","","","","","","","","","","","","","","","","","(e)-(5,7-Dimethyl-3,6-dihydro-2h-1,4-diazepin-6-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene","","CC1=NCCN=C(C1N=NC2=CC3=C(C=C2)N=C(N3)C)C","UOSSUCDWBYDXSX-UHFFFAOYSA-N","396642",NA,"PDBC05469","703141","Present"
-"(5,8-Dichloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(5,8-Dichloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone","","C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC(=C3C=C2C(Br)Br)Cl)Cl","ORUKEOXCVZHQFF-UHFFFAOYSA-N","370204",NA,"PDBC05470","642948","Present"
-"(5-(((Diethylamino)carbonyl)oxy)-2-pyridinyl)methyl acetate","","","","","","","","","","","","","","","","","","","","(5-(((Diethylamino)carbonyl)oxy)-2-pyridinyl)methyl acetate","","CCN(CC)C(=O)OC1=CN=C(C=C1)COC(=O)C","LXLOVJVKDHUCTP-UHFFFAOYSA-N","371012",NA,"PDBC05471","644874","Present"
-"(5-((1-Adamantylimino)methyl)-2-chlorophenyl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","(5-((1-Adamantylimino)methyl)-2-chlorophenyl)(hydroxy)azane oxide","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]","HGIJWSFUOLYHDT-UHFFFAOYSA-N","379708",NA,"PDBC05472","664683","Present"
-"(5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(2-(3-(2-chloroanilino)-3-oxopropanoyl)hydrazino)methylphosphonous acid","","","","","","","","","","","","","","","","","","","","[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-[2-[3-(2-chloroanilino)-3-oxopropanoyl]hydrazinyl]methyl]phosphonous acid","","C1=CC=C(C(=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)P(O)O)Cl","DPFMORBISMCQJC-UHFFFAOYSA-N","377940",NA,"PDBC05473","659608","Present"
-"(5-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2-pyrrolidinyl)methyl acetate","","","","","","","","","","","","","","","","","","","","(5-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2-pyrrolidinyl)methyl acetate","","CC(=O)OCC1CCC(=C2C(=O)OC(OC2=O)(C)C)N1","CJGFOSCWUPZHBY-UHFFFAOYSA-N","383012",NA,"PDBC05474","670996","Present"
-"(5-(3-(2-Furyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-2-furyl)methanol","","","","","","","","","","","","","","","","","","","","(5-(3-(2-Furyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-2-furyl)methanol","","C1C(N(N=C1C2=CC=CO2)C3=CC=CC=C3)C4=CC=C(O4)CO","VFAGDXRRQDSVID-UHFFFAOYSA-N","376139",NA,"PDBC05475","656632","Present"
-"(5-(5-Amino-4-cyano-1,3-oxazol-2-yl)-2-furyl)methyl acetate","","","","","","","","","","","","","","","","","","","","(5-(5-Amino-4-cyano-1,3-oxazol-2-yl)-2-furyl)methyl acetate","","CC(=O)OCC1=CC=C(O1)C2=NC(=C(O2)N)C#N","MIPLVGNUQGQMEH-UHFFFAOYSA-N","377504",NA,"PDBC05476","658988","Present"
-"(5-(Acetyloxy)-2-((acetyloxy)methyl)-3-pyridinyl)methyl acetate","","","","","","","","","","","","","","","","","","","","(5-(Acetyloxy)-2-((acetyloxy)methyl)-3-pyridinyl)methyl acetate","","CC(=O)OCC1=C(N=CC(=C1)OC(=O)C)COC(=O)C","GTXZRSPMSSFYHD-UHFFFAOYSA-N","371013",NA,"PDBC05477","644875","Present"
-"(5-(Mercaptomethyl)-2-thienyl)methyl hydrosulfide","","","","","","","","","","","","","","","","","","","","(5-(Mercaptomethyl)-2-thienyl)methyl hydrosulfide","","C1=C(SC(=C1)CS)CS","DHHJQXAJIIVBES-UHFFFAOYSA-N","373744",NA,"PDBC05478","650643","Present"
-"(5-(Methoxycarbonyl)-5-methyl-2-(4-methylphenyl)-1-cyclohexen-1-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(5-(Methoxycarbonyl)-5-methyl-2-(4-methylphenyl)-1-cyclohexen-1-yl)acetic acid","","CC1=CC=C(C=C1)C2=C(CC(CC2)(C)C(=O)OC)CC(=O)O","RFZTVGJNQLCFOY-UHFFFAOYSA-N","287675",NA,"PDBC05479","147737","Present"
-"(5-Acetyl-6,11-dimethyl-8-oxo-7-oxatetracyclo[8.8.0.02,6.011,16]octadec-4-en-14-yl) acetate","","","","","","","","","","","","","","","","","","","","(5-Acetyl-6,11-dimethyl-8-oxo-7-oxatetracyclo[8.8.0.02,6.011,16]octadec-4-en-14-yl) acetate","","CC(=O)C1=CCC2C1(OC(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C","RZDJJWQUCPCDTP-UHFFFAOYSA-N","303610",NA,"PDBC05480","192737","Present"
-"(5-Acetyloxy-4-methyl-2-oxochromen-7-yl) acetate","","","","","","","","","","","","","","","","","","","","CBMicro_044720","","CC1=CC(=O)OC2=C1C(=CC(=C2)OC(=O)C)OC(=O)C","XZMIXWYSAYXQPU-UHFFFAOYSA-N","390800",NA,"PDBC05481","688796","Present"
-"(5-Amino-1,4-D]pyrazin-7-YL)carbamic acid, ethyl ester, hydrochloride (25:3)","","","","","","","","","","","","","","","","","","","","Carbamic acid, [5-amino-1,2-dihydro-3-(4-methoxyphenyl)p...","","CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=C(C=C3)OC)N.Cl","LLOSSPFQKMGMHB-UHFFFAOYSA-N","54604647",NA,"PDBC05482","332890","Present"
-"(5-Amino-2,4-dimethoxyphenyl)(2-thienyl)methanone","","","","","","","","","","","","","","","","","","","","(5-Amino-2,4-dimethoxyphenyl)(2-thienyl)methanone","","COC1=CC(=C(C=C1C(=O)C2=CC=CS2)N)OC","JLMFSHGWAIGJFO-UHFFFAOYSA-N","363949",NA,"PDBC05483","629483","Present"
-"(5-Amino-4-cyano-1,3-oxazol-2-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(5-Amino-4-cyano-1,3-oxazol-2-yl)methyl acetate","","CC(=O)OCC1=NC(=C(O1)N)C#N","MQIYOWQPOLBZJX-UHFFFAOYSA-N","386972",NA,"PDBC05484","680214","Present"
-"(5-Benzoyloxy-4-oxo-pyran-2-yl) benzoate","","","","","","","","","","","","","","","","","","","","(5-Benzoyloxy-4-oxo-pyran-2-yl) benzoate","","C1=CC=C(C=C1)C(=O)OC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3","QAEMBFNJGHEYJI-UHFFFAOYSA-N","395500",NA,"PDBC05485","700142","Present"
-"(5-Benzyl-6-methyl-2-thioxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)thiourea","","","","","","","","","","","","","","","","","","","","(5-Benzyl-6-methyl-2-thioxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)thiourea","","CC1=C(C2=C(N1)NC(=S)N=C2NC(=S)N)CC3=CC=CC=C3","GERGJOCGWFGKTD-UHFFFAOYSA-N","3002245",NA,"PDBC05486","690967","Present"
-"(5-Benzyloxycarbonylamino-5-carbamoyl-pentyl)-carbamic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","(5-Benzyloxycarbonylamino-5-carbamoyl-pentyl)-carbamic acid tert-butyl ester","","CC(C)(C)OC(=O)NCCCCC(C(=O)N)NC(=O)OCC1=CC=CC=C1","NRIVYVKAKANCDC-UHFFFAOYSA-N","382311",NA,"PDBC05487","669771","Present"
-"(5-Bromo-2-oxo-1H-benzo[d]azolin-3-ylidene)azamethanesulfonic acid","","","","","","","","","","","","","","","","","","","","(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)sulfamic acid","","C1=CC2=C(C=C1Br)C(=NS(=O)(=O)O)C(=O)N2","YIDREPMIEJXVFV-UHFFFAOYSA-N","135505239",NA,"PDBC05488","707054","Present"
-"(5-Carbamimidoylsulfanyl-3-oxopentyl) carbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC650632","","C(CSC(=N)N)C(=O)CCSC(=N)N.Cl","HPFAROAOHQIGOO-UHFFFAOYSA-N","373732",NA,"PDBC05489","650632","Present"
-"(5-Chloro-2-hydroxyphenyl)acetic acid","","","","","","","","","","","","","","","","","","","","SY198913","","C1=CC(=C(C=C1Cl)CC(=O)O)O","MXOUPSVVAIWFKQ-UHFFFAOYSA-N","244199",NA,"PDBC05490","54854","Present"
-"(5-Chloropyridin-3-yl) 2-oxo-6-(propanoyloxymethyl)chromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","5-Chloropyridin-3-yl 2-oxo-6-[(propanoyloxy)methyl]-2h-chromene-3-carboxylate","","CCC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CN=C3)Cl","SMIXYAWTUGVYBN-UHFFFAOYSA-N","402512",NA,"PDBC05491","716539","Present"
-"(5-Chloropyridin-3-yl) 2-oxothiochromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","5-Chloropyridin-3-yl 2-oxo-2h-thiochromene-3-carboxylate","","C1=CC=C2C(=C1)C=C(C(=O)S2)C(=O)OC3=CC(=CN=C3)Cl","GFGXDSKELFGWCB-UHFFFAOYSA-N","402515",NA,"PDBC05492","716541","Present"
-"(5-Cholestene-3beta-olato)ethoxybis(1-phenylbutane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","(5-Cholestene-3.beta.-olato)ethoxybis(1-phenylbutane-1,3...","","CC[O-].CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","ROKUETDCCIDSDE-PJVUARBTSA-N","368062",NA,"PDBC05493","638387","Present"
-"(5-Cyano-3,4-bis(3,4-dichlorophenyl)-6-oxo-1(6H)-pyridazinyl)acetic acid","","","","","","","","","","","","","","","","","","","","(5-Cyano-3,4-bis(3,4-dichlorophenyl)-6-oxo-1(6H)-pyridazinyl)acetic acid","","C1=CC(=C(C=C1C2=C(C(=O)N(N=C2C3=CC(=C(C=C3)Cl)Cl)CC(=O)O)C#N)Cl)Cl","MBUITOGHNBPJGL-UHFFFAOYSA-N","357102",NA,"PDBC05494","614930","Present"
-"(5-Ethenyl-2-methylpyridin-1-ium-1-yl)methyl-[(5-ethenyl-2-methylpyridin-1-ium-1-yl)methyl-dimethylsilyl]oxy-dimethylsilane;iodide","","","","","","","","","","","","","","","","","","","","(5-Ethenyl-2-methylpyridin-1-ium-1-yl)methyl-[(5-ethenyl-2-methylpyridin-1-ium-1-yl)methyl-dimethylsilyl]oxy-dimethylsilane;iodide","","CC1=[N+](C=C(C=C1)C=C)C[Si](C)(C)O[Si](C)(C)C[N+]2=C(C=CC(=C2)C=C)C.[I-]","HCCLKJNWYKWJTF-UHFFFAOYSA-M","372821",NA,"PDBC05495","648484","Present"
-"(5-Ethoxy-1,3-oxazol-2-yl)(diphenyl)methanol","","","","","","","","","","","","","","","","","","","","(5-Ethoxy-1,3-oxazol-2-yl)(diphenyl)methanol","","CCOC1=CN=C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O","JVIUCDBVXJTBPN-UHFFFAOYSA-N","386456",NA,"PDBC05496","678485","Present"
-"(5-Fluoro-12-methylbenzo[a]anthracen-7-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","NCIMech_000568","","CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)COC(=O)C)F","BWBNQGMPRXNAEL-UHFFFAOYSA-N","128899",NA,"PDBC05497","623135","Present"
-"(5-Fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-(4-methoxyphenyl)mercury","","","","","","","","","","","","","","","","","","","","(5-Fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-(4-methoxyphenyl)mercury","","","","",NA,"PDBC05498","631944","Present"
-"(5-Formyl-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-yl) thiocyanate","","","","","","","","","","","","","","","","","","","","5-Formyl-3-methyl-1-pyridin-2-yl-6,7-dihydro-1h-indazol-4-yl thiocyanate","","CC1=NN(C2=C1C(=C(CC2)C=O)SC#N)C3=CC=CC=N3","LNGSSQMLQJECIC-UHFFFAOYSA-N","400142",NA,"PDBC05499","711636","Present"
-"(5-Hydroxy-2-methoxy-6-methyloxan-3-yl) 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","(5-Hydroxy-2-methoxy-6-methyloxan-3-yl) 4-methylbenzenesulfonate","","CC1C(CC(C(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)O","AGPXATUJARHHJF-UHFFFAOYSA-N","359616",NA,"PDBC05500","620675","Present"
-"(5-Hydroxy-4,6-dimethylpyridin-3-YL)methyl dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","Deoxypyridoxine-P","","CC1=C(C(=NC=C1COP(=O)(O)O)C)O","RBCOYOYDYNXAFA-UHFFFAOYSA-N","95687",NA,"PDBC05501","29870","Present"
-"(5-Hydroxy-9,10a-diaza-pentaleno[1,2-a]napht halen-7-yl)-phenyl-methanon","","","","","","","","","","","","","","","","","","","","(5-Hydroxy-9,10-dihydro-8H-8,10a-diaza-pentaleno[1,2-a]n...","","C1CN2C3=C(C=C(C4=CC=CC=C43)O)C(=C2N1)C(=O)C5=CC=CC=C5","NZKYVWWXTZJWIO-UHFFFAOYSA-N","24205844",NA,"PDBC05502","736918","Present"
-"(5-Methyl-2-oxo-1,3,2-dioxathian-5-yl)methanol","","","","","","","","","","","","","","","","","","","","(5-Methyl-2-oxido-1,3,2-dioxathian-5-yl)methanol","","CC1(COS(=O)OC1)CO","JFPIBVKMGJPJRZ-UHFFFAOYSA-N","373710",NA,"PDBC05503","650611","Present"
-"(5-Nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","(5-Nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]","UNVINAWGNYGOQK-UHFFFAOYSA-N","272144",NA,"PDBC05504","116385","Present"
-"(5-Nitro-1,3-thiazol-2-yl)N,N-diethanolamine","","","","","","","","","","","","","","","","","","","","ADAL1163628","","C1=C(SC(=N1)N(CCO)CCO)[N+](=O)[O-]","YWXVDTSGAZBQDY-UHFFFAOYSA-N","380955",NA,"PDBC05505","666738","Present"
-"(5-Nitro-2-phenethyl-1,3-dioxan-5-yl)methanol","","","","","","","","","","","","","","","","","","","","(5-Nitro-2-phenethyl-1,3-dioxan-5-yl)methanol","","C1C(COC(O1)CCC2=CC=CC=C2)(CO)[N+](=O)[O-]","ANWPZBRMGJSEKH-UHFFFAOYSA-N","361321",NA,"PDBC05506","624347","Present"
-"(5-Nitro-2-phenylphenyl)arsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-187675","","C1=CC=C(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[As](=O)(O)O","CCGNSPSMYWVAMG-UHFFFAOYSA-N","302501",NA,"PDBC05507","187675","Present"
-"(5-Nitrofuran-2-yl)methylene dibutanoate","","","","","","","","","","","","","","","","","","","","(5-Nitrofuran-2-yl)methylene dibutanoate","","CCCC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)CCC","OAPNBKYSIKPKAZ-UHFFFAOYSA-N","348954",NA,"PDBC05508","408483","Present"
-"(5-Nitrospiro[1,3-dioxane-2,9'-fluorene]-5-yl)methanol","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxane-2,9'-[9H]fluorene], 5-(hydroxymethyl)-...","","C1C(COC2(O1)C3=CC=CC=C3C4=CC=CC=C24)(CO)[N+](=O)[O-]","CSGREVUJPNTCHL-UHFFFAOYSA-N","363555",NA,"PDBC05509","628519","Present"
-"(5-Oxospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl) carbamodithioate","","","","","","","","","","","","","","","","","","","","(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl) carbamodithioate","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)SC(=S)N","RIGXAYDTYVPTJC-UHFFFAOYSA-N","135409130",NA,"PDBC05510","658728","Present"
-"(5-Oxotricyclo[2.2.1.0~2,6~]hept-3-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","(5-Oxotricyclo[2.2.1.02,6]hept-3-yl)acetonitrile","","C1C2C3C2C(=O)C1C3CC#N","VZYFIBQSLJGGRS-UHFFFAOYSA-N","380732",NA,"PDBC05511","666439","Present"
-"(5-Phenyl-1,3-thiazol-2-yl)methanol","","","","","","","","","","","","","","","","","","","","ZKQNZTYJCCNVKZ-UHFFFAOYSA-N","","C1=CC=C(C=C1)C2=CN=C(S2)CO","ZKQNZTYJCCNVKZ-UHFFFAOYSA-N","273543",NA,"PDBC05512","118832","Present"
-"(5-Phenyl-3-tellurophenyl)methanol","","","","","","","","","","","","","","","","","","","","4-Hydroxymethyl-2-phenyl-tellurophene","","C1=CC=C(C=C1)C2=CC(=C[Te]2)CO","QVJUSFRJJPRLDK-UHFFFAOYSA-N","362976",NA,"PDBC05513","627508","Present"
-"(5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","ALBB-004268","","C1=CC=C(C=C1)C2=NNC(=N2)CC#N","DDXUUSTVPHVENY-UHFFFAOYSA-N","386778",NA,"PDBC05514","679486","Present"
-"(5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraen-3-yl)hydrazine","","","","","","","","","","","","","","","","","","","","4-Hydrazino-2-(2-pyridyl)-5,6,7,8,9,10-hexahydrocyclooct...","","C1CCCC2=C(CC1)C3=C(N=C(N=C3S2)C4=CC=CC=N4)NN","HNESEQPJRQZTBS-UHFFFAOYSA-N","72196726",NA,"PDBC05515","764310","Present"
-"(5-Tert-butyl-2-hydroxyphenyl)methyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","NSC48683","","CC(C)(C)C1=CC(=C(C=C1)O)C[N+](C)(C)C.[I-]","UYGITAMKZDJQQC-UHFFFAOYSA-N","5351810",NA,"PDBC05516","48683","Present"
-"(5Ar,10aS,10cR)-7,7,10a,10c-Tetramethyl-2,5a,6,6a,7,8,9, 10,10a,10c-decahydro-4H-5-oxa-acephenanthrylene-3-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","(5aR,6aS,10aS,10cR)-7,7,10a,10c-Tetramethyl-2,5a,6,6a,7,...","","CC1(CCCC2(C1CC3C4(C2=CCC(=C4CO3)C(=O)OC)C)C)C","QRZYQIRNAWSAJE-NLEAXPPASA-N","12114764",NA,"PDBC05517","726197","Present"
-"(5Ar,6R,8aR)-5a-methyl-6-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,8a-octahydro-1H-cyclopenta[b]azepine","","","","","","","","","","","","","","","","","","","","(5Ar,6r,8ar)-6-(1,5-dimethylhexyl)-5a-methyl-2,3,4,5,6,7,8,8a-octahydro-1h-cyclopenta[b]azepine","","CC(C)CCCC(C)C1CCC2C1(CCCCN2)C","UCGJCAGQAMYVHQ-QSLYMNIHSA-N","403828",NA,"PDBC05518","719362","Present"
-"(5Ar,6R,8aR)-5a-methyl-6-(6-methylheptan-2-yl)-N-phenyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine","","","","","","","","","","","","","","","","","","","","(5Ar,6R,8aR)-5a-methyl-6-(6-methylheptan-2-yl)-N-phenyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine","","CC(C)CCCC(C)C1CCC2C1(CCCC(=N2)NC3=CC=CC=C3)C","GLLCVTMTSMMJAZ-TWCSLKCUSA-N","403830",NA,"PDBC05519","719364","Present"
-"(5Ar,6R,8aR)-N-benzyl-5a-methyl-6-(6-methylheptan-2-yl)-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine","","","","","","","","","","","","","","","","","","","","(5Ar,6R,8aR)-N-benzyl-5a-methyl-6-(6-methylheptan-2-yl)-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine","","CC(C)CCCC(C)C1CCC2C1(CCCC(=N2)NCC3=CC=CC=C3)C","VWXYSYATPFJBIX-OHPLOISXSA-N","403831",NA,"PDBC05520","719365","Present"
-"(5Ar,8aS,9S)-9-[4-[4-[4-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]phenyl]anilino]-4-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one","","","","","","","","","","","","","","","","","","","","(5Ar,8aS,9S)-9-[4-[4-[4-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]phenyl]anilino]-4-(4-hydroxy-3,5-dimethoxyp","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)NC9C1COC(=O)C1CC1=C(C2=C(C=C91)OCO2)C1=CC(=C(C(=C1)OC)O)OC","RLGVZEQXLOEGTH-KDTKSUNLSA-N","403478",NA,"PDBC05521","718379","Present"
-"(5Ar,8aS,9S)-9-[[7-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-9H-fluoren-2-yl]amino]-4-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one","","","","","","","","","","","","","","","","","","","","(5Ar,8aS,9S)-9-[[7-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-9H-fluoren-2-yl]amino]-4-(4-hydroxy-3,5-dimethoxypheny","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=C6)C8=C(C7)C=C(C=C8)NC9C1COC(=O)C1CC1=C(C2=C(C=C91)OCO2)C1=CC(=C(C(=C1)OC)O)OC","QGNWPDNFBRIEME-QCBTWLFZSA-N","403479",NA,"PDBC05522","718380","Present"
-"(5As,9aS)-2,4-bis(4-chlorophenyl)-3-phenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","(5As,9aS)-2,4-bis(4-chlorophenyl)-3-phenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole","","C1CCC2C(C1)N=C3N2C(C(=C(N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C6=CC=C(C=C6)Cl","YLEVINLUJCOCAK-HFKGTQBBSA-N","389413",NA,"PDBC05523","685485","Present"
-"(5As,9aS)-2,4-diphenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","(5As,9aS)-2,4-diphenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole","","C1CCC2C(C1)N=C3N2C(C=C(N3)C4=CC=CC=C4)C5=CC=CC=C5","KUARHCORKHWPNE-WZENJKSDSA-N","389411",NA,"PDBC05524","685483","Present"
-"(5As,9aS)-2-(4-chlorophenyl)-4-phenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","(5As,9aS)-2-(4-chlorophenyl)-4-phenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole","","C1CCC2C(C1)N=C3N2C(C=C(N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5","UJRXKHRJJKJIQL-WZENJKSDSA-N","389412",NA,"PDBC05525","685484","Present"
-"(5E)-1,3-Dibromo-5-(pyridin-3-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","(5E)-1,3-Dibromo-5-(pyridin-3-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one","","C1=CN(C=C1)C2C(=CC3=CN=CC=C3)C(=O)C4=C(SC(=C24)Br)Br","IERTUMHWBBOQKJ-DHZHZOJOSA-N","5471491",NA,"PDBC05526","711742","Present"
-"(5E)-1,3-Dibromo-5-(pyridin-4-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","(5E)-1,3-Dibromo-5-(pyridin-4-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one","","C1=CN(C=C1)C2C(=CC3=CC=NC=C3)C(=O)C4=C(SC(=C24)Br)Br","SXNMNSKBROQVNI-PKNBQFBNSA-N","5471492",NA,"PDBC05527","711743","Present"
-"(5E)-2,6-Diimino-5-[(2-nitrophenyl)methylene]hexahydropyrimidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-2,6-Diimino-5-[(2-nitrophenyl)methylene]hexahydropyrimidin-4-one","","C1=CC=C(C(=C1)C=C2C(=NC(=NC2=O)N)N)[N+](=O)[O-]","LYWADTJFCOIMQC-FNORWQNLSA-N","5387798",NA,"PDBC05528","627525","Present"
-"(5E)-2-(5-Amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-2-(5-Amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one","","CC1=NN(C(=C1N=C2NC(=O)C(=CC3=CC=C(C=C3)OC)S2)N)C4=CC=CC=C4","GTSFDICKEINLJR-SFQUDFHCSA-N","136040181",NA,"PDBC05529","753927","Present"
-"(5E)-2-(Anilinomethyl)-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(5E)-2-(Anilinomethyl)-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one","","C1CC(=CC=CC2=CC=CC=C2)C(=O)C1CNC3=CC=CC=C3","WYQQSIAWIAZYRI-PFMZDYLOSA-N","5467978",NA,"PDBC05530","661238","Present"
-"(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","CN(C)CCC1(CCC(=CC2=CC=CC=C2OC)C1=O)C3=CCCC3.Cl","VNUNZTSJKBCFAK-HYNBPGMHSA-N","6516861",NA,"PDBC05531","639621","Present"
-"(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","CN(C)CCC1(CCC(=CC2=CC(=CC=C2)OC)C1=O)C3=CCCC3.Cl","DQWLPGNMIPWHGK-FLNCGGNMSA-N","49796370",NA,"PDBC05532","639622","Present"
-"(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","CN(C)CCC1(CCC(=CC2=CC=C(C=C2)OC)C1=O)C3=CCCC3.Cl","VSTOLUHVOJXWLU-HYNBPGMHSA-N","49796369",NA,"PDBC05533","639620","Present"
-"(5E)-2-(Morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(4-morpholinyl)methyl]-5-nonylidene, ...","","CCCCCCCCC=C1CCC(C1=O)CN2CCOCC2.Cl","VCXGYAPRRGELNZ-WWIHJBQESA-N","54612513",NA,"PDBC05534","639505","Present"
-"(5E)-2-(Morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 5-[(4-morpholinyl)methyl]-2-pentylidene-...","","CCCCC=C1CCC(C1=O)CN2CCOCC2.Cl","BGPKXKMFENYSDC-CMZQJCRFSA-N","5467291",NA,"PDBC05535","649904","Present"
-"(5E)-2-Benzyl-5-benzylidene-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-Benzyl-5-benzylidene-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","CN(C)CC1(CCC(=CC2=CC=CC=C2)C1=O)CC3=CC=CC=C3.Cl","LPSRLBMMBMEEGI-QMGGKDRNSA-N","6516831",NA,"PDBC05536","639522","Present"
-"(5E)-2-[(4-Bromoanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[(4-Bromoanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one","","C1CC(=CC=CC2=CC=CC=C2)C(=O)C1CNC3=CC=C(C=C3)Br","AHKPMFYWVJHYCY-AQHRCUNFSA-N","5467979",NA,"PDBC05537","661239","Present"
-"(5E)-2-[(4-Chloroanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[(4-Chloroanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one","","COC1=CC=CC=C1C=C2CCC(C2=O)CNC3=CC=C(C=C3)Cl","OVSJHHKFALRYKL-NTCAYCPXSA-N","6516858",NA,"PDBC05538","639540","Present"
-"(5E)-2-[(4-Chloroanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4- h...","","C1CC(=CC2=CC=C(C=C2)O)C(=O)C1CNC3=CC=C(C=C3)Cl","KRNGWPMSMWJZKZ-SDNWHVSQSA-N","5930524",NA,"PDBC05539","639541","Present"
-"(5E)-2-[(4-Chlorophenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[(4-Chlorophenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one","","C1=CC(=CC=C1OCC2=NC3N(N2)C(=O)C(=CC4=CC=C(O4)[N+](=O)[O-])S3)Cl","OTSACXQINMHLAT-KPKJPENVSA-N","5471974",NA,"PDBC05540","715681","Present"
-"(5E)-2-[(4-Chlorophenoxy)methyl]-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[(4-Chlorophenoxy)methyl]-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one","","C1=CC(=CC=C1OCC2=NC3N(N2)C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)S3)Cl","PVSNCTQAPFHTEX-VXLYETTFSA-N","5471976",NA,"PDBC05541","715683","Present"
-"(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one","","CCOC1=CC=C(C=C1)NCC2CCC(=CC3=CC=CC=C3OC)C2=O","JFBYNRPGOFKHKP-SAPNQHFASA-N","5915890",NA,"PDBC05542","639539","Present"
-"(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one","","CCOC1=CC=C(C=C1)NCC2CCC(=CC3=CC=C(C=C3)O)C2=O","RMROIIBHPGJUEB-DTQAZKPQSA-N","5467973",NA,"PDBC05543","661233","Present"
-"(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one","","CCOC1=CC=C(C=C1)NCC2CCC(=CC=CC3=CC=CC=C3)C2=O","FEPMONSCOIXCFL-AVSIYSEJSA-N","5467980",NA,"PDBC05544","661240","Present"
-"(5E)-2-[(4-Methoxyanilino)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[(4-Methoxyanilino)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one","","COC1=CC=C(C=C1)C=C2CCC(C2=O)CNC3=CC=C(C=C3)OC","MNKADYGZVLTDPR-DTQAZKPQSA-N","5467974",NA,"PDBC05545","661234","Present"
-"(5E)-2-[(4-Methylphenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[(4-Methylphenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one","","CC1=CC=C(C=C1)OCC2=NC3N(N2)C(=O)C(=CC4=CC=C(O4)[N+](=O)[O-])S3","NSOGORXGYJBXIH-MDWZMJQESA-N","5471975",NA,"PDBC05546","715682","Present"
-"(5E)-2-[(Dimethylamino)methyl]-2-ethyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-[(Dimethylamino)methyl]-2-ethyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","CCC1(CCC(=CC2=CC=C(C=C2)OC)C1=O)CN(C)C.Cl","FPKWRHBTVFPCRP-JRUHLWALSA-N","6516853",NA,"PDBC05547","639536","Present"
-"(5E)-2-[(Dimethylamino)methyl]-2-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-[(Dimethylamino)methyl]-2-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","CC1(CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C1=O)CN(C)C.Cl","MKJMHSPWGVAXAZ-KYIGKLDSSA-N","6516845",NA,"PDBC05548","639531","Present"
-"(5E)-2-[(Dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-[(Dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride","","CCCCC=C1CCC(C1=O)(C)CN(C)C.Cl","DYHOKRYYQYEUOC-MXZHIVQLSA-N","54605002",NA,"PDBC05549","639502","Present"
-"(5E)-2-[(Dimethylamino)methyl]-2-prop-2-enyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-[(Dimethylamino)methyl]-2-prop-2-enyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","CN(C)CC1(CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C1=O)CC=C.Cl","RGAQMRNIGHIGBN-YFMOEUEHSA-N","6516852",NA,"PDBC05550","639535","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-5-(2-methyl- p...","","CC(C)C=C1CCC(C1=O)CN(C)C.Cl","QECUABWGFUZPAT-HCUGZAAXSA-N","21141929",NA,"PDBC05551","639498","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-[(Dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride","","CC1(CCC(=CC2=CC(=CC=C2)OC)C1=O)CN(C)C.Cl","PPBZZAMSCFNKIL-KMZJGFRYSA-N","6516837",NA,"PDBC05552","639526","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(3-methoxy-...","","CN(C)CC1CCC(=CC2=CC(=CC=C2)OC)C1=O.Cl","ZSAVQJDANLEEPS-KJEVSKRMSA-N","21141937",NA,"PDBC05553","639513","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(4-hydroxy-...","","CN(C)CC1CCC(=CC2=CC=C(C=C2)O)C1=O.Cl","AZIMXESZBBJFSR-NBYYMMLRSA-N","5387766",NA,"PDBC05554","626880","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride","","CC1(CCC(=CC2=CC=C(C=C2)OC)C1=O)CN(C)C.Cl","SZEZDJHAHHQHNS-JHGYPSGKSA-N","6516839",NA,"PDBC05555","639527","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-prop-2-enylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-prop-2-enylcyclopentan-1-one;hydrochloride","","CN(C)CC1(CCC(=CC2=CC=C(C=C2)OC)C1=O)CC=C.Cl","FNAONPXUKULBRL-ZUQRMPMESA-N","6516848",NA,"PDBC05556","639532","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-[2-[4-(2-methylpropyl)phenyl]propylidene]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-5-[2-[4- (2-me...","","CC(C)CC1=CC=C(C=C1)C(C)C=C2CCC(C2=O)CN(C)C.Cl","AZWGVADTJQETFH-XTWSRORZSA-N","21141933",NA,"PDBC05557","639509","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-5-heptylidene-...","","CCCCCCC=C1CCC(C1=O)CN(C)C.Cl","UTDPNCFLWSUGJW-KJEVSKRMSA-N","5387764",NA,"PDBC05558","626879","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-hexylidenecyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[(Dimethylamino)methyl]-5-hexylidenecyclopentan-1-one","","CCCCCC=C1CCC(C1=O)CN(C)C","QUGSOUOTWFTUPI-XYOKQWHBSA-N","5467295",NA,"PDBC05559","649906","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-[(Dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride","","CCCCCCCCC=C1CCC(C1=O)CN(C)C.Cl","VZESQSCDFJJJKY-KRWCAOSLSA-N","5467298",NA,"PDBC05560","649908","Present"
-"(5E)-2-[(Dimethylamino)methyl]-5-octylidenecyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-5-octylidene-,...","","CCCCCCCC=C1CCC(C1=O)CN(C)C.Cl","QAIOLXNCYPNUTQ-KMZJGFRYSA-N","6516817",NA,"PDBC05561","639504","Present"
-"(5E)-2-[2-(Diethylamino)ethyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-2-[2-(Diethylamino)ethyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride","","CCN(CC)CCC1CCC(=CC2=CC=C(C=C2)OC)C1=O.Cl","ZICUZFHNXJPKSM-KLSJZZFUSA-N","50988773",NA,"PDBC05562","639618","Present"
-"(5E)-2-[[(5-Methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[[(5-Methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one","","CC1=CC(=NO1)NCC2CCC(=CC=CC3=CC=CC=C3)C2=O","AUBHZACVUVUIEZ-ZCPHBQKFSA-N","5467981",NA,"PDBC05563","661241","Present"
-"(5E)-2-[[5-Methyl-4-[5-methyl-2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one","","","","","","","","","","","","","","","","","","","","(5E)-2-[[5-Methyl-4-[5-methyl-2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one","","CC1=CC=C(C=C1)C=C2C(=O)N=C(S2)NC3=NC(=C(S3)C)C4=C(SC(=N4)NC5=NC(=O)C(=CC6=CC=C(C=C6)C)S5)C","HSFLLEBDPKELNM-JFMUQQRKSA-N","24204065",NA,"PDBC05564","730523","Present"
-"(5E)-3,3-Dimethyl-5-(4-nitrophenyl)imino-cyclohexanone","","","","","","","","","","","","","","","","","","","","(5Z)-3,3-Dimethyl-5-[(4-nitrophenyl)imino]cyclohexanone","","CC1(CC(=NC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)C1)C","RIYFRZMLRBXDLT-UHFFFAOYSA-N","366957",NA,"PDBC05565","636119","Present"
-"(5E)-3-(2-Chlorophenyl)-1,1-dioxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-3-(2-Chlorophenyl)-1,1-dioxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one","","C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2(=O)=O)C5=CC=CC=C5Cl","OMXVPNHXIPSLOC-LGUFXXKBSA-N","5470274",NA,"PDBC05566","699102","Present"
-"(5E)-3-(3-Chlorophenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-3-(3-Chlorophenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl","XRJYRZOFLLXSQF-HYARGMPZSA-N","5470238",NA,"PDBC05567","699066","Present"
-"(5E)-3-Acetyl-5-[(furan-2-yl)methylidene]-4-hydroxyfuran-2(5H)-one","","","","","","","","","","","","","","","","","","","","(5E)-3-Acetyl-5-[(furan-2-yl)methylidene]-4-hydroxyfuran-2(5H)-one","","CC(=O)C1=C(C(=CC2=CC=CO2)OC1=O)O","IWGFMYAZPOEARZ-VMPITWQZSA-N","54706011",NA,"PDBC05568","287486","Present"
-"(5E)-3-Benzyl-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-3-Benzyl-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one","","C1=CC=C(C=C1)CN2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","YDIDQRDZPROMEZ-NHFJDJAPSA-N","5470260",NA,"PDBC05569","699088","Present"
-"(5E)-3-Benzyl-5-benzylidene-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-3-Benzyl-5-benzylidene-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)CC4=CC=CC=C4","RFLIRMWWOWJKEB-OEAKJJBVSA-N","5470510",NA,"PDBC05570","702359","Present"
-"(5E)-4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-5-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)imino]piperidine-2,3,6-trione","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-5-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)imino]piperidine-2,3,6-trione","","CC1=C(C(=CC=C1)C)N2C(=O)C(=NC3=CC=CC4=C3C(=O)NNC4=O)C(C(=O)C2=O)C5=NC6=CC=CC=C6S5","NIJZYFRBIFCUDS-UHFFFAOYSA-N","360711",NA,"PDBC05571","623047","Present"
-"(5E)-4-Chloro-5-(2-furylmethylene)imidazole-2-thione","","","","","","","","","","","","","","","","","","","","(5E)-4-Chloro-5-(2-furylmethylene)imidazole-2-thione","","C1=COC(=C1)C=C2C(=NC(=S)N2)Cl","WOSSWUIZIBDNNL-GQCTYLIASA-N","6374661",NA,"PDBC05572","684378","Present"
-"(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride","","CN(C)CCC1(CCC(=CC2=CC3=C(C=C2)OCO3)C1=O)C4=CCCC4.Cl","VWVZMACZKQFTOR-IWSIBTJSSA-N","49796371",NA,"PDBC05573","639625","Present"
-"(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride","","CCC1(CCC(=CC2=CC3=C(C=C2)OCO3)C1=O)CN(C)C.Cl","SGPJMVAIHUTWNQ-KYIGKLDSSA-N","6516856",NA,"PDBC05574","639538","Present"
-"(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride","","CC1(CCC(=CC2=CC3=C(C=C2)OCO3)C1=O)CN(C)C.Cl","KPDJJLZWYRCNGW-FNXZNAJJSA-N","6516842",NA,"PDBC05575","639529","Present"
-"(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride","","CN(C)CC1(CCC(=CC2=CC3=C(C=C2)OCO3)C1=O)CC=C.Cl","WEZOGTLWZYLVNM-GYVLLFFHSA-N","6516851",NA,"PDBC05576","639534","Present"
-"(5E)-5-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-3-ethyl-2-thioxo-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-3-ethyl-2-thioxo-thiazolidin-4-one","","CCN1C(=O)C(=C2C3=CC=CC=C3C(S2)(C4=CC=CC=C4)C5=CC=CC=C5)SC1=S","NUNVJRJIEJDNKK-QURGRASLSA-N","3004673",NA,"PDBC05577","659470","Present"
-"(5E)-5-(3-Allyl-7-hydroxy-thiazolo[4,5-d]pyrimidin-2-ylidene)-3-(p-tolyl)-2-thioxo-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-(3-Allyl-7-hydroxy-thiazolo[4,5-d]pyrimidin-2-ylidene)-3-(p-tolyl)-2-thioxo-thiazolidin-4-one","","CC1=CC=C(C=C1)N2C(=O)C(=C3N(C4=C(S3)C(=O)NC=N4)CC=C)SC2=S","UEHOHKLVDQSIPR-GHRIWEEISA-N","135499330",NA,"PDBC05578","652036","Present"
-"(5E)-5-(7-Hydroxy-5-methyl-3-phenyl-thiazolo[4,5-d]pyrimidin-2-ylidene)-3-(p-tolyl)-2-thioxo-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(2E)-5-Methyl-2-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-phenyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one","","CC1=CC=C(C=C1)N2C(=O)C(=C3N(C4=C(S3)C(=O)NC(=N4)C)C5=CC=CC=C5)SC2=S","WGDYTWRXBLRJRR-HEHNFIMWSA-N","135499331",NA,"PDBC05579","652037","Present"
-"(5E)-5-Benzylidene-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride","","CN(C)CCC1(CCC(=CC2=CC=CC=C2)C1=O)C3=CCCC3.Cl","XKGFNRZZCNVSQC-HYNBPGMHSA-N","6516860",NA,"PDBC05580","639619","Present"
-"(5E)-5-Benzylidene-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride","","CC1(CCC(=CC2=CC=CC=C2)C1=O)CN(C)C.Cl","GGBREVLCPVKKQB-JHGYPSGKSA-N","6516835",NA,"PDBC05581","639524","Present"
-"(5E)-5-Benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one","","C1=CC=C(C=C1)C=C2C(=O)N=C(S2)NC3=NC(=CS3)C4=CSC(=N4)NC5=NC(=O)C(=CC6=CC=CC=C6)S5","ODEXMQQKNBMQLZ-AYKLPDECSA-N","24204060",NA,"PDBC05582","730518","Present"
-"(5E)-5-Benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one","","CC1=C(N=C(S1)NC2=NC(=O)C(=CC3=CC=CC=C3)S2)C4=C(SC(=N4)NC5=NC(=O)C(=CC6=CC=CC=C6)S5)C","PFKHTPULULIICX-IWGRKNQJSA-N","24204064",NA,"PDBC05583","730522","Present"
-"(5E)-5-Benzylidene-3-(2,4,5-trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(2,4,5-trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC(=C(C=C4Cl)Cl)Cl","NNYXCBVHQBOSQP-LSFURLLWSA-N","5470506",NA,"PDBC05584","702355","Present"
-"(5E)-5-Benzylidene-3-(2,5-dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(2,5-dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=C(C=CC(=C4)Cl)Cl","JWKWFKQRWTXGOI-SSDVNMTOSA-N","5470511",NA,"PDBC05585","702360","Present"
-"(5E)-5-Benzylidene-3-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=C(C=C1)OC)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","FEOBAXUXUVHCRN-ZMOGYAJESA-N","5470509",NA,"PDBC05586","702358","Present"
-"(5E)-5-Benzylidene-3-(2-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(2-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC=CC=C4Cl","XWBBZFISGXRNFX-LPYMAVHISA-N","5470503",NA,"PDBC05587","702352","Present"
-"(5E)-5-Benzylidene-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC=CC=C1N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","GOGVRUFIDNQCJI-OEAKJJBVSA-N","5470501",NA,"PDBC05588","702350","Present"
-"(5E)-5-Benzylidene-3-(3,4-dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(3,4-dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC(=C(C=C4)Cl)Cl","KOWBOELHNPEWTL-SSDVNMTOSA-N","5470505",NA,"PDBC05589","702354","Present"
-"(5E)-5-Benzylidene-3-(3-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(3-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC(=CC=C4)Cl","BJTXNTFLIHAUAD-WSDLNYQXSA-N","5470498",NA,"PDBC05590","702347","Present"
-"(5E)-5-Benzylidene-3-(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC=CC(=C1)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","NYYYTJFUNWCONF-YDZHTSKRSA-N","5470513",NA,"PDBC05591","702362","Present"
-"(5E)-5-Benzylidene-3-(3-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(3-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC(=CC=C4)[N+](=O)[O-]","NTYZVUITGAEFLS-WSDLNYQXSA-N","5470500",NA,"PDBC05592","702349","Present"
-"(5E)-5-Benzylidene-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC=C(C=C4)Cl","DGOMKCKXTMYIFK-LPYMAVHISA-N","5470502",NA,"PDBC05593","702351","Present"
-"(5E)-5-Benzylidene-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC=C(C=C1)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","WJTUTCLYEBNWMK-OEAKJJBVSA-N","5470507",NA,"PDBC05594","702356","Present"
-"(5E)-5-Benzylidene-3-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC=C(C=C4)[N+](=O)[O-]","BYNKPXKXCGQSQH-LPYMAVHISA-N","5470499",NA,"PDBC05595","702348","Present"
-"(5E)-5-Benzylidene-3-hydroxy-4-phenylfuran-2-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-hydroxy-4-phenylfuran-2-one","","C1=CC=C(C=C1)C=C2C(=C(C(=O)O2)O)C3=CC=CC=C3","LNDFHYYSUASBFX-SDNWHVSQSA-N","54607928",NA,"PDBC05596","370867","Present"
-"(5E)-5-Benzylidene-3-pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-3-pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC=CC=N4","MHKQDHBBJPROAR-DEDYPNTBSA-N","5470514",NA,"PDBC05597","702363","Present"
-"(5E)-5-Benzylidene-4-chloroimidazole-2-thione","","","","","","","","","","","","","","","","","","","","NSC684376","","C1=CC=C(C=C1)C=C2C(=NC(=S)N2)Cl","LWUOKRXOLULQIB-SOFGYWHQSA-N","6381904",NA,"PDBC05598","684376","Present"
-"(5E)-5-Benzylidene-7,8,9,10-tetrahydro-6H-acridin-4-ol","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-7,8,9,10-tetrahydro-6H-acridin-4-ol","","C1CC2=C(C(=CC3=CC=CC=C3)C1)NC4=C(C2)C=CC=C4O","APFJQKMJGRYJJG-NTCAYCPXSA-N","5467325",NA,"PDBC05599","650731","Present"
-"(5E)-5-Benzylidene-9-butyl-2,3,4,6,7,8-hexahydro-1H-acridin-4-ol","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-9-butyl-2,3,4,6,7,8-hexahydro-1H-acridin-4-ol","","CCCCC1=C2CCCC(C2=NC3=C1CCCC3=CC4=CC=CC=C4)O.Br","ITQZXYZRLNINFE-HYNBPGMHSA-N","5467327",NA,"PDBC05600","650745","Present"
-"(5E)-5-Benzylidene-9-butyl-3-(dimethylaminomethyl)-1,2,3,6,7,8-hexahydroacridin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-9-butyl-3-(dimethylaminomethyl)-1,2,3,6,7,8-hexahydroacridin-4-one","","CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCC(C4=O)CN(C)C","FXNOBZXJWIVQAE-LVZFUZTISA-N","5467330",NA,"PDBC05601","650748","Present"
-"(5E)-5-Ethylidene-2,3a,4,5a,10b,10c-hexahydro-1H-indeno[5,4-b]benzofuran-3-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Ethylidene-2,3a,4,5a,10b,10c-hexahydro-1H-indeno[5,4-b]benzofuran-3-one","","CC=C1CC2C(CCC2=O)C3C1OC4=CC=CC=C34","YXLYWUVAEIQGLX-WTDSWWLTSA-N","5469352",NA,"PDBC05602","686965","Present"
-"(5E)-5-[(2-Chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-[(2-Chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride","","CN(C)CCC1(CCC(=CC2=CC=CC=C2Cl)C1=O)C3=CCCC3.Cl","COWFBCZOUKVQRB-INTLEYBYSA-N","6516863",NA,"PDBC05603","639626","Present"
-"(5E)-5-[(2-Hydroxyphenyl)methylene]-2-thioxo-imidazolidin-4-one; piperidine","","","","","","","","","","","","","","","","","","","","(5E)-5-[(2-Hydroxyphenyl)methylene]-2-thioxo-imidazolidin-4-one; piperidine","","C1CCNCC1.C1=CC=C(C(=C1)C=C2C(=O)NC(=S)N2)O","KDYCAJZAFGCPTM-GZOLSCHFSA-N","6477907",NA,"PDBC05604","684372","Present"
-"(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride","","CCC1(CCC(=CC2=CC(=C(C=C2)OC)OC)C1=O)CN(C)C.Cl","AIINJISYVLAZTD-KRWCAOSLSA-N","6516854",NA,"PDBC05605","639537","Present"
-"(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride","","CC1(CCC(=CC2=CC(=C(C=C2)OC)OC)C1=O)CN(C)C.Cl","JECYHPFBSUIPRE-KMZJGFRYSA-N","6516843",NA,"PDBC05606","639530","Present"
-"(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one","","CCCN1C(=O)C(=CC2=CC(=C(C=C2)OC)OC)SC1=NC3=CC=CC=C3","HOKDIDNVQXZAOE-QTQSSRPMSA-N","5471345",NA,"PDBC05607","710595","Present"
-"(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one","","CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OC)OC)S1)C3=CC=CC=C3","WYNNAMQUFKBHFR-QTQSSRPMSA-N","5471348",NA,"PDBC05608","710598","Present"
-"(5E)-5-[(3,5-Ditert-butyl-4-hydroxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-[(3,5-Ditert-butyl-4-hydroxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N(C(=S)N2)CC=C","XHFPXYGSFNZYDA-FOWTUZBSSA-N","5471168",NA,"PDBC05609","709117","Present"
-"(5E)-5-[(3-Bromo-4-methoxyphenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-[(3-Bromo-4-methoxyphenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride","","CN(C)CCC1(CCC(=CC2=CC(=C(C=C2)OC)Br)C1=O)C3=CCCC3.Cl","GRAGNGDPFTWMFH-KLSJZZFUSA-N","10027011",NA,"PDBC05610","639624","Present"
-"(5E)-5-[(3-Bromo-4-methoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-[(3-Bromo-4-methoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride","","CC1(CCC(=CC2=CC(=C(C=C2)OC)Br)C1=O)CN(C)C.Cl","BEYOQIAVGVVBCL-KJEVSKRMSA-N","6516841",NA,"PDBC05611","639528","Present"
-"(5E)-5-[(3-Phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol","","","","","","","","","","","","","","","","","","","","(5E)-5-[(3-Phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2NN=CC(C(C(CO)O)O)O","XTHMAXOETJHZRF-KEBDBYFISA-N","24205451",NA,"PDBC05612","735809","Present"
-"(5E)-5-[(4-Chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-[(4-Chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride","","CC1(CCC(=CC2=CC=C(C=C2)Cl)C1=O)CN(C)C.Cl","MTPAOLHUCNSGEQ-RSGUCCNWSA-N","6516836",NA,"PDBC05613","639525","Present"
-"(5E)-5-[(4-Chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5E)-5-[(4-Chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride","","CN(C)CC1(CCC(=CC2=CC=C(C=C2)Cl)C1=O)CC=C.Cl","KFCGCZFXJWCIDD-JRUHLWALSA-N","6516849",NA,"PDBC05614","639533","Present"
-"(5E)-5-[(4-Chlorophenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-[(4-Chlorophenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one","","C1=CC(=CC=C1C=C2C(=O)N=C(S2)NC3=NC(=CS3)C4=CSC(=N4)NC5=NC(=O)C(=CC6=CC=C(C=C6)Cl)S5)Cl","OONMAMOJCDABPF-LQGKIZFRSA-N","24204062",NA,"PDBC05615","730520","Present"
-"(5E)-5-[(4-Dimethylaminophenyl)methylene]-2-thioxo-imidazolidin-4-one; piperidine","","","","","","","","","","","","","","","","","","","","(5E)-5-[(4-Dimethylaminophenyl)methylene]-2-thioxo-imidazolidin-4-one; piperidine","","CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N2.C1CCNCC1","GDBBGMATVIPTOI-HCUGZAAXSA-N","6477908",NA,"PDBC05616","684373","Present"
-"(5E)-5-[(4-Methoxyphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-[(4-Methoxyphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one","","CC1=C(N=C(S1)NC2=NC(=O)C(=CC3=CC=C(C=C3)OC)S2)C4=C(SC(=N4)NC5=NC(=O)C(=CC6=CC=C(C=C6)OC)S5)C","KUGCTFSTYXYJFY-JFMUQQRKSA-N","24204066",NA,"PDBC05617","730524","Present"
-"(5E)-5-[(4-Methylphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one","","","","","","","","","","","","","","","","","","","","(5E)-5-[(4-Methylphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one","","CC1=CC=C(C=C1)C=C2C(=O)N=C(S2)NC3=NC(=CS3)C4=CSC(=N4)NC5=NC(=O)C(=CC6=CC=C(C=C6)C)S5","DFDIKEAYXPECRA-XHQRYOPUSA-N","24204061",NA,"PDBC05618","730519","Present"
-"(5E)-5-[[(5E)-5-[[5-[(Z)-(4,4-Dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethylpyrrol-2-yl]methylidene]-4,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrol-2-yl]methylidene]-2,4,4-trimethyl-1-(trifluoromethylsulfonyl)pyrrolidine-2-carbonitrile","","","","","","","","","","","","","","","","","","","","(5E)-5-[[(5E)-5-[[5-[(Z)-(4,4-Dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethylpyrrol-2-yl]methylidene]-4,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrol-2-yl]methylidene]-2,4,4-trimethyl-1-(triflu","","CC1(CC(=CC2=NC(=CC2(C)C)C=C3C(C=C(N3S(=O)(=O)C(F)(F)F)C=C4C(CC(N4S(=O)(=O)C(F)(F)F)(C)C#N)(C)C)(C)C)NC1=O)C","WIQLAHKDHZERSM-RXDLLMILSA-N","5471912",NA,"PDBC05619","715335","Present"
-"(5E)-5-[[4-(Diethylamino)phenyl]methylidene]imidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","(Z)-5-(4-(diethylamino)benzylidene)imidazolidine-2,4-dione","","CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N2","QSFFDFDTLWXQFV-FMIVXFBMSA-N","6376972",NA,"PDBC05620","750233","Present"
-"(5E)-5-[[4-Hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol","","","","","","","","","","","","","","","","","","","","(5E)-5-[[4-Hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol","","C1=CC=C2C(=C1)C(=CC3=C(N=C(N3)NN=CC(C(C(CO)O)O)O)O)C=N2","FSYITJUFFRMQIS-JDWHJCHUSA-N","135505210",NA,"PDBC05621","704863","Present"
-"(5E,6Z)-5,6-Bis(phenylhydrazinylidene)hexane-2,3,4-triol","","","","","","","","","","","","","","","","","","","","(5E,6Z)-5,6-Bis(phenylhydrazinylidene)hexane-2,3,4-triol","","CC(C(C(C(=NNC1=CC=CC=C1)C=NNC2=CC=CC=C2)O)O)O","LUUVKBNRGZNGPZ-PELXRNIYSA-N","54607933",NA,"PDBC05622","405935","Present"
-"(5E,6Z)-5,6-Bis[(6,8-dibromoquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4-tetrol","","","","","","","","","","","","","","","","","","","","NSC716033///NSC716034","","C1=C(C=C(C2=C1C(=NC=N2)NN=CC(=NNC3=NC=NC4=C3C=C(C=C4Br)Br)C(C(C(CO)O)O)O)Br)Br","CNRLWXPTJQGNBD-CIDSACJKSA-N","54611942",NA,"PDBC05623","716033///716034","Present"
-"(5E,6Z)-5,6-Bis[(6-bromoquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4-tetrol","","","","","","","","","","","","","","","","","","","","(5E,6Z)-5,6-Bis[(6-bromoquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4-tetrol","","C1=CC2=C(C=C1Br)C(=NC=N2)NN=CC(=NNC3=NC=NC4=C3C=C(C=C4)Br)C(C(C(CO)O)O)O","NEGAWDLFWMRJPK-NMVYXVHHSA-N","54611940",NA,"PDBC05624","716030","Present"
-"(5E,6Z)-6-[(E)-1-(4-Chlorophenyl)ethylidenehydrazinylidene]-5-(dimethylaminomethylidene)-1-methyl-1,3-diazinane-2,4-dione","","","","","","","","","","","","","","","","","","","","(5E,6Z)-6-[(E)-1-(4-Chlorophenyl)ethylidenehydrazinylidene]-5-(dimethylaminomethylidene)-1-methyl-1,3-diazinane-2,4-dione","","CC(=NN=C1C(=CN(C)C)C(=O)NC(=O)N1C)C2=CC=C(C=C2)Cl","PKIXMBJLCHTOJY-QOHLMHBPSA-N","9572085",NA,"PDBC05625","702927","Present"
-"(5R)-3-(2,4-Dichloro-5-fluorophenyl)-5-[5-(4-nitrophenyl)furan-2-yl]-4,5-dihydro-1H-pyrazole","","","","","","","","","","","","","","","","","","","","(5r)-3-(2,4-Dichloro-5-fluoro-phenyl)-5-[5-(4-nitrophenyl)-2-furyl]-4,5-dihydro-1h-pyrazole","","C1C(NN=C1C2=CC(=C(C=C2Cl)Cl)F)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]","PRSRMBIOUHWFMP-QGZVFWFLSA-N","399722",NA,"PDBC05626","710768","Present"
-"(5R)-3-(4-Chlorophenyl)-5-[5-(3-nitrophenyl)furan-2-yl]-4,5-dihydro-1H-pyrazole","","","","","","","","","","","","","","","","","","","","(5r)-3-(4-Chlorophenyl)-5-[5-(3-nitrophenyl)-2-furyl]-4,5-dihydro-1h-pyrazole","","C1C(NN=C1C2=CC=C(C=C2)Cl)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]","YSCLRLYWQWXUPT-QGZVFWFLSA-N","399724",NA,"PDBC05627","710770","Present"
-"(5R)-3-Hydroxy-1-methyl-5-phenylpyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","NSC684752","","CN1C(CC(C1=O)O)C2=CC=CC=C2","STTZQKMZENIDNM-YHMJZVADSA-N","389093",NA,"PDBC05628","684752","Present"
-"(5R)-6-[(2R)-2-[Tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-one","","","","","","","","","","","","","","","","","","","","(5R)-6-[(2R)-2-[Tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-one","","CC1=CCC(C(C1=O)C(C(C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O)C(C)C","UNKZYPANFYTNKX-HVNZUTIVSA-N","401700",NA,"PDBC05629","715430","Present"
-"(5R*,5]Dec-7-ene","","","","","","","","","","","","","","","","","","","","(5R*,6S*)-7-Ethyl-8-(p-methoxyphenyl)-6-methyl-1-oxo-2-a...","","CCC1=C(CCC2(C1C)CCNC2=O)C3=CC=C(C=C3)OC","HLOROWSFWSHOTM-YJYMSZOUSA-N","6711218",NA,"PDBC05630","298872","Present"
-"(5R,5Ar,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one","","","","","","","","","","","","","","","","","","","","(5R,5Ar,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)C6=C(C=C(C7=C6OC(C(C7)O)C8=CC(=C(C=C8)O)O)O)O","VSCRRRCQTIUCAW-OOLGDHILSA-N","397857",NA,"PDBC05631","706480","Present"
-"(5R,5Ar,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one","","","","","","","","","","","","","","","","","","","","(5R,5Ar,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)C6=C(C=C(C7=C6OC(C(C7)O)C8=CC(=C(C=C8)O)O)O)O","SNCVGHNZFLSKTI-ITXIKNEJSA-N","397858",NA,"PDBC05632","706481","Present"
-"(5R,5As)-5-(diethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydro-[1]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5R,5As)-5-(diethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydro-[1]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride","","CCN(CC)C1C2C(C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC)C(=O)CO2.Cl","MKBFKDXLDJXDHT-JNNDVCOTSA-N","372832",NA,"PDBC05633","648491","Present"
-"(5R,5As)-5-[2-(dimethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6-one, 5,5a,6,8...","","CN(C)CCOC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl","STEJYCHVFIJIBV-WWGZZMNBSA-N","371049",NA,"PDBC05634","644945","Present"
-"(5R,6R)-1,3-Dibromo-5,6-dihydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","(5R,6R)-1,3-Dibromo-5,6-dihydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1(C(C(=O)C2=C(SC(=C21)Br)Br)O)O","GVOBFCMMTILMQG-NQXXGFSBSA-N","398919",NA,"PDBC05635","709153","Present"
-"(5R,6R)-5-Chloro-6-nitrobicyclo[2.2.1]hept-2-ene","","","","","","","","","","","","","","","","","","","","(5R,6R)-5-Chloro-6-nitrobicyclo[2.2.1]hept-2-ene","","C1C2C=CC1C(C2[N+](=O)[O-])Cl","UQVBCWMZQBGEDP-TVVDDFTJSA-N","6711504",NA,"PDBC05636","629123","Present"
-"(5R,6S)-5-Phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene-4-carbothioamide","","","","","","","","","","","","","","","","","","","","(5R,6S)-5-Phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene-4-carbothioamide","","C1CC2C(N(N=C2C3=CC=CC=C3C1)C(=S)N)C4=CC=CC=C4","HJBMTSFCVBTNOF-AEFFLSMTSA-N","5467466",NA,"PDBC05637","652809","Present"
-"(5R,8Ar,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5R,8Ar,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","CC(C)C1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OC)OC)O)O","MZXAMKYTGFSPHR-WPWKEMPVSA-N","388572",NA,"PDBC05638","683583","Present"
-"(5R,8Ar,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5R,8Ar,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-on","","CC(C)C1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O","SRLJFQNAJBXCHO-FLZICNFKSA-N","388573",NA,"PDBC05639","683584","Present"
-"(5R,8Ar,9R)-5-[[2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5R,8Ar,9R)-5-[[2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CO8)O)O","AQRJBWFVLCAKFF-CLIFMDCGSA-N","388571",NA,"PDBC05640","683582","Present"
-"(5R,8As,9S)-5-[(4-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5R,8As,9S)-5-[(4-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC=C(C=C6)F","KPTPAZOGVODZMU-LRACKPSESA-N","369914",NA,"PDBC05641","642281","Present"
-"(5R,8As,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(4-nitrophenyl)methylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5R,8As,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(4-nitrophenyl)methylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC=C(C=C6)[N+](=O)[O-]","PXPYSACVTXZLEY-LRACKPSESA-N","369913",NA,"PDBC05642","642280","Present"
-"(5R,8R)-3,8-Dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol","","","","","","","","","","","","","","","","","","","","(5r,8r)-5-[(1s)-1,5-Dimethylhex-4-en-1-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol","","CC1CCC(C2=C1C=C(C(=C2)C)O)C(C)CCC=C(C)C","HWRNTAPYVJUXEL-ZMSDIMECSA-N","401065",NA,"PDBC05643","713793","Present"
-"(5R,8S)-1,3-Diphenyl-5alpha-chloro-8-(4-nitrophenylthio)-4,5,6,7-tetrahydro-4alpha,7alpha-methano-2H-isoindole","","","","","","","","","","","","","","","","","","","","(1S,7R,8R,10S)-8-Chloro-10-(4-nitrophenyl)sulfanyl-3,5-diphenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene","","C1C2C(C(C1Cl)C3=C(NC(=C23)C4=CC=CC=C4)C5=CC=CC=C5)SC6=CC=C(C=C6)[N+](=O)[O-]","SNMIAKMXWHCOED-YBMQWUKTSA-N","402639",NA,"PDBC05644","716814","Present"
-"(5R,8S)-2-Hydroxy-3,8-dimethyl-5-[(1S)-1,5-dimethyl-5-hydroxy-3-hexenyl]-5,6,7,8-tetrahydronaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","(5R,8S)-4-Hydroxy-5-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalene-1,2-dione","","CC1CCC(C2=C1C(=O)C(=O)C(=C2O)C)C(C)CC=CC(C)(C)O","RYXLTIJJGWMQLP-SEFVESRXSA-N","5472716",NA,"PDBC05645","721060","Present"
-"(5S) N-[(2'R)-Methyl-3'oxobutanoyl]-4-aza-2-oxa-6,10-methylene-5-spiro(4,5)decanone","","","","","","","","","","","","","","","","","","","","(5S) N-[(2'R)-Methyl-3'oxobutanoyl]-4-aza-2-oxa-6,6-di- ...","","CC(C(=O)C)C(=O)N1C(=O)OCC12C3CCC(C3)C2(C)C","UHRNOROBBJATRU-WKCLZBRGSA-N","384445",NA,"PDBC05646","674226","Present"
-"(5S)-2-(2,4-Dimethoxy-3-phenylmethoxyphenyl)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","(5S)-2-(2,4-Dimethoxy-3-phenylmethoxyphenyl)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole","","COCC1C(OC(=N1)C2=C(C(=C(C=C2)OC)OCC3=CC=CC=C3)OC)C4=CC=CC=C4","WNYYUDHVWAAPOH-YANBTOMASA-N","359188",NA,"PDBC05647","619870","Present"
-"(5S)-2-Oxo-3-thia-1-azabicyclo[3.3.0]octane3,3-dioxide","","","","","","","","","","","","","","","","","","","","(5S)-2-Oxo-3-thia-1-azabicyclo[3.3.0]octane3,3-dioxide","","C1CC2CS(=O)(=O)C(=O)N2C1","AEPZRULXCKGTFI-YFKPBYRVSA-N","397195",NA,"PDBC05648","704602","Present"
-"(5S)-2-[2-[6-(1,3-Dioxan-2-yl)-1,3-benzodioxol-5-yl]-3,4,5-trimethoxyphenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","(5S)-2-[2-[6-(1,3-Dioxan-2-yl)-1,3-benzodioxol-5-yl]-3,4,5-trimethoxyphenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole","","COCC1C(OC(=N1)C2=CC(=C(C(=C2C3=CC4=C(C=C3C5OCCCO5)OCO4)OC)OC)OC)C6=CC=CC=C6","NSGXGRNOJSUXOJ-ZUILJJEPSA-N","359195",NA,"PDBC05649","619877","Present"
-"(5S)-5-[4-(Dimethylamino)-N-methylanilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5S)-5-[4-(Dimethylamino)-N-methylanilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","CN(C)C1=CC=C(C=C1)N(C)C2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC.Cl","PLPGHVSWAOUNEL-CTIUGHHFSA-N","372828",NA,"PDBC05650","648489","Present"
-"(5S)-5-[Tert-butyl(dimethyl)silyl]oxy-6-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one","","","","","","","","","","","","","","","","","","","","(5S)-5-[Tert-butyl(dimethyl)silyl]oxy-6-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one","","CC1CC2C(CC1O[Si](C)(C)C(C)(C)C)CC(=O)O2","UGFZWYXEABYLGG-ARAJFMJPSA-N","359577",NA,"PDBC05651","620569","Present"
-"(5S*,5]Dec-7-ene","","","","","","","","","","","","","","","","","","","","(5S*,6S*)-7-Ethyl-8-(p-methoxyphenyl)-6-methyl-1-oxo-2-a...","","CCC1=C(CCC2(C1C)CCNC2=O)C3=CC=C(C=C3)OC","HLOROWSFWSHOTM-BFUOFWGJSA-N","326870",NA,"PDBC05652","299205","Present"
-"(5S,5Ar)-5-(2-aminoethoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(...","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OCCN.Cl","IYAJFFYSIFVYDY-BTGNAHPESA-N","371051",NA,"PDBC05653","644946","Present"
-"(5S,5As)-5-(dimethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5S,5As)-5-(dimethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","CN(C)C1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl","KDUXNNHTCHNIMH-LNGTUHNESA-N","372830",NA,"PDBC05654","648490","Present"
-"(5S,5As)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,5As)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","CN(C)CCCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC","YPFPNLDTVOTTIA-MQFPMGNJSA-N","375034",NA,"PDBC05655","653860","Present"
-"(5S,5As)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5S,5As)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","CN(C)CCCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl","BWBBLAWXXOKYFG-XXZGRVGKSA-N","375035",NA,"PDBC05656","653861","Present"
-"(5S,5As)-5-[4-(dimethylamino)anilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5S,5As)-5-[4-(dimethylamino)anilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride","","CN(C)C1=CC=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC.Cl","ROCVDBYEOWFWTN-IEYOGHBKSA-N","371053",NA,"PDBC05657","644947","Present"
-"(5S,5As,8aR,9R)-5-(2-benzoyl-4-chloroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,5As,8aR,9R)-5-(2-benzoyl-4-chloroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)Cl)C(=O)C7=CC=CC=C7","NTGSJJQELKJCCH-YZCUKXFTSA-N","387685",NA,"PDBC05658","681711","Present"
-"(5S,5As,8aR,9R)-5-(2-benzoyl-4-nitroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,5As,8aR,9R)-5-(2-benzoyl-4-nitroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)[N+](=O)[O-])C(=O)C7=CC=CC=C7","QALOZSDFUKQUIP-YZCUKXFTSA-N","387687",NA,"PDBC05659","681713","Present"
-"(5S,5As,8aR,9R)-5-(2-benzoylanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,5As,8aR,9R)-5-(2-benzoylanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6C(=O)C7=CC=CC=C7","VAVLEWZEWRTESR-YZCUKXFTSA-N","387684",NA,"PDBC05660","681710","Present"
-"(5S,5As,8aR,9R)-5-[4-chloro-2-(2-chlorobenzoyl)anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,5As,8aR,9R)-5-[4-chloro-2-(2-chlorobenzoyl)anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)Cl)C(=O)C7=CC=CC=C7Cl","JPTYRQOYOGPYKK-FPMZXNSHSA-N","387686",NA,"PDBC05661","681712","Present"
-"(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCNCCO.Cl","IKOWPMLXTLTFPC-ZBWZZBALSA-N","380415",NA,"PDBC05662","665936","Present"
-"(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(methylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Furo[3',4':6,7]naptho[2,3-d]-1,3-dioxol-6(5H)-one, 5a,8,...","","CNCCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl","MADQCVBKHMXYEU-GASZGAMQSA-N","380412",NA,"PDBC05663","665934","Present"
-"(5S,6R)-1,3-Dibromo-5,6-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","(5S,6R)-1,3-Dibromo-5,6-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1(C(C(=O)C2=C(SC(=C21)Br)Br)Cl)Cl","YPLALNOTCKAOQJ-QWWZWVQMSA-N","398923",NA,"PDBC05664","709157","Present"
-"(5S,6R,8Ar)-5-[2-(furan-3-yl)-2-oxoethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","(5S,6R,8Ar)-5-[2-(furan-3-yl)-2-oxoethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","","CC1CCC2(C(C1(C)CC(=O)C3=COC=C3)CCC=C2C(=O)O)C","VXVZOLCENMIHPM-LURWVKDOSA-N","390655",NA,"PDBC05665","688258","Present"
-"(5S,7Ar)-5-hydroxy-3,7a-dimethoxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one","","","","","","","","","","","","","","","","","","","","(5S,7Ar)-5-hydroxy-3,7a-dimethoxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one","","CC1CC2(C(=C(C(=O)O2)OC)CC1O)OC","RJIHWRNCWUHMDN-GNNFCSPASA-N","359578",NA,"PDBC05666","620570","Present"
-"(5S,8Ar)-5-(1,3-benzodioxol-5-ylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-5-(1,3-benzodioxol-5-ylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=C6)OCO7","OCUTXKAKMUXIAQ-YVRXRDEISA-N","363633",NA,"PDBC05667","628662","Present"
-"(5S,8Ar)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=C(C=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)OC","BXSBVTBXQRANDX-SCWZWCFPSA-N","363649",NA,"PDBC05668","628677","Present"
-"(5S,8Ar)-5-(3-acetylanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-5-(3-acetylanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","CC(=O)C1=CC(=CC=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","UOSWXYRSLPRKBZ-WXIMRCAWSA-N","363640",NA,"PDBC05669","628669","Present"
-"(5S,8Ar)-5-(4-aminoanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[...","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)N.Cl","UCWYAMAHWNCEOU-FEKGNFRDSA-N","363647",NA,"PDBC05670","628676","Present"
-"(5S,8Ar)-5-(4-fluorophenoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-5-(4-fluorophenoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6=CC=C(C=C6)F","UMMMPHSPVYALOO-MRIXDANNSA-N","363653",NA,"PDBC05671","628681","Present"
-"(5S,8Ar)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6CCN(CC6)CC7=CC=CC=C7","GQMFUALQPLOONU-NQSSNSDLSA-N","374330",NA,"PDBC05672","651854","Present"
-"(5S,8Ar)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6CCN(CC6)CC7=CC=CC=C7.Cl","QPVFETQLJNDTAC-XIDRKSSOSA-N","374331",NA,"PDBC05673","651855","Present"
-"(5S,8Ar)-5-[2-(dimethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-5-[2-(dimethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","CN(C)CCOC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC","ZGHKEJXIWOMFNA-OPFYLNGXSA-N","371464",NA,"PDBC05674","645737","Present"
-"(5S,8Ar)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","CN(C)CCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC","PGHGGOHEWBODPG-WVVMFJAESA-N","374336",NA,"PDBC05675","651860","Present"
-"(5S,8Ar)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","CN(C)CCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl","ZDGAQEWFWMFJLV-WYOHYIEUSA-N","374337",NA,"PDBC05676","651861","Present"
-"(5S,8Ar)-5-anilino-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-5-anilino-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6","HYAITYUXKHHWLQ-PUEOPUMLSA-N","363652",NA,"PDBC05677","628680","Present"
-"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCN6CCOCC6","XJELDDZCOWMPQO-PUEOPUMLSA-N","374332",NA,"PDBC05678","651856","Present"
-"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCN6CCOCC6.Cl","MHTBGZOLKFEGKU-FEKGNFRDSA-N","374333",NA,"PDBC05679","651857","Present"
-"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCN6CCCCC6","BVESBBFTRAGARG-LYJLOTJCSA-N","374326",NA,"PDBC05680","651850","Present"
-"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCN6CCCCC6.Cl","GQNBYLRGRRHGMU-YXXOECCOSA-N","374327",NA,"PDBC05681","651851","Present"
-"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-methoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-methoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC=CC(=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","KZUPXTWILKSDPH-LYJLOTJCSA-N","363638",NA,"PDBC05682","628667","Present"
-"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC(=CC=C6)[N+](=O)[O-]","OSNQMLDRHAFGFD-PUEOPUMLSA-N","363641",NA,"PDBC05683","628670","Present"
-"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-morpholin-4-ylanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-morpholin-4-ylanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)N7CCOCC7","SABCZMGALMNHPA-MDGOSCKESA-N","363635",NA,"PDBC05684","628664","Present"
-"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-phenoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-phenoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)OC7=CC=CC=C7","UAAVRICFSYRAKY-NQSSNSDLSA-N","363644",NA,"PDBC05685","628673","Present"
-"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(quinolin-3-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(quinolin-3-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC7=CC=CC=C7N=C6","WGVCJBRLEDPWPV-VNAROETBSA-N","363637",NA,"PDBC05686","628666","Present"
-"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3-(hydroxymethyl)anilino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3-(hydroxymethyl)anilino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC(=C6)CO","AWOQMBAPRCYFBX-LYJLOTJCSA-N","363646",NA,"PDBC05687","628675","Present"
-"(5S,8Ar,9R)-5-(benzylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar,9R)-5-(benzylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC=CC=C6","XZLSTDFFFYMQHP-HIQAHLLCSA-N","369912",NA,"PDBC05688","642279","Present"
-"(5S,8Ar,9R)-5-[(2-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar,9R)-5-[(2-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC=CC=C6F","JRBQYUOXPRFHDP-PSJIIWDDSA-N","369916",NA,"PDBC05689","642283","Present"
-"(5S,8Ar,9R)-5-[(3-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","(5S,8Ar,9R)-5-[(3-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC(=CC=C6)F","OLGPRXCDUWIWSG-HIQAHLLCSA-N","369915",NA,"PDBC05690","642282","Present"
-"(5S,8R,8Ar)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-ol","","","","","","","","","","","","","","","","","","","","(5S,8R,8Ar)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-ol","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F","MHPBLSKQDOZLPM-ASZLOBTNSA-N","378226",NA,"PDBC05691","660029","Present"
-"(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-Hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1,3(19),20-triene-30,2'-oxane]-26-ol","","","","","","","","","","","","","","","","","","","","(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-Hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1,","","CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CC7=NC8=C(CC9(C(C8)CCC2C9CCC3(C2CCC3C(C)CCCC(C)C)C)C)N=C7C6)C)O)C)C)OC1","HPCZHBZDSKNOCT-HVCKBXFHSA-N","376536",NA,"PDBC05692","657502","Present"
-"(5S,9R,10R,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-10,28-bis(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-triene","","","","","","","","","","","","","","","","","","","","(5S,9R,10R,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-10,28-bis(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-triene","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(C4)N=C6CC7(C(CCC8C7CCC9(C8CCC9C(C)CCCC(C)C)C)CC6=N5)C)C)C","CKMPPNSWHJFGIM-GYEIACECSA-N","376532",NA,"PDBC05693","657498","Present"
-"(5S,9S,10S,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-28-(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-trien-10-ol","","","","","","","","","","","","","","","","","","","","(5S,9S,10S,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-28-(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-trien-10-ol","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(C4)N=C6CC7(C(CCC8C7CCC9(C8CCC9O)C)CC6=N5)C)C)C","WDTKEEAMCLNHIJ-NZIYOZEDSA-N","376534",NA,"PDBC05694","657500","Present"
-"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","CC1=NN(C2(C1=CC3=CC(=C(C=C3)O)OC)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","VNDOCQLTUJVVEX-UNOMPAQXSA-N","135436215",NA,"PDBC05695","713663","Present"
-"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","CC1=NN(C2(C1=CC3=CC=C(C=C3)O)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","XCJINWZVZXFXCJ-MOSHPQCFSA-N","135436214",NA,"PDBC05696","713662","Present"
-"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","CC1=NN(C2(C1=CC3=CC=C(C=C3)OC)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","UEZXFIUUAOYLLH-STZFKDTASA-N","5471785",NA,"PDBC05697","713694","Present"
-"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","CC1=NN(C2(C1=CC3=CC=C(C=C3)N(C)C)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","NMZAJJKXYKHVET-JCMHNJIXSA-N","5471766",NA,"PDBC05698","713664","Present"
-"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-(thiophen-2-ylmethylidene)-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-(thiophen-2-ylmethylidene)-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","CC1=NN(C2(C1=CC3=CC=CS3)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","OWSVDHWIBGVHED-AQTBWJFISA-N","5471786",NA,"PDBC05699","713695","Present"
-"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-[(E)-3-phenylprop-2-enylidene]-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-[(E)-3-phenylprop-2-enylidene]-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","CC1=NN(C2(C1=CC=CC3=CC=CC=C3)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","MWKFVBNQTQDCFH-XNHXLOTDSA-N","5471763",NA,"PDBC05700","713661","Present"
-"(5Z)-1-(1,3-Benzothiazol-2-yl)-5-benzylidene-3-chloro-8-(3-chlorophenyl)-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","(5Z)-1-(1,3-Benzothiazol-2-yl)-5-benzylidene-3-chloro-8-(3-chlorophenyl)-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","CC1=NN(C2(C1=CC3=CC=CC=C3)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","FQUWBDIMZNBBMA-ZHZULCJRSA-N","5471762",NA,"PDBC05701","713660","Present"
-"(5Z)-1-(4-Chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-phenyl-4-sulfanylideneimidazolidin-2-one","","","","","","","","","","","","","","","","","","","","(5Z)-1-(4-Chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-phenyl-4-sulfanylideneimidazolidin-2-one","","C1=CC=C(C=C1)N2C(=S)C(=CC3=CC=C(C=C3)Cl)N(C2=O)C4=CC=C(C=C4)Cl","VDSGTKSJGWQODS-ZHZULCJRSA-N","5472496",NA,"PDBC05702","719623","Present"
-"(5Z)-1-Methyl-5-[(pyrimidin-2-ylamino)methylene]hexahydropyrimidine-2,4,6-trione","","","","","","","","","","","","","","","","","","","","(5Z)-1-Methyl-5-[(pyrimidin-2-ylamino)methylene]hexahydropyrimidine-2,4,6-trione","","CN1C(=C(C(=O)NC1=O)C=NC2=NC=CC=N2)O","BLGMPGCLOHFNKK-WLRTZDKTSA-N","135484738",NA,"PDBC05703","698572","Present"
-"(5Z)-1-Methyl-5-[[(3-methyl-2-pyridyl)amino]methylene]hexahydropyrimidine-2,4,6-trione","","","","","","","","","","","","","","","","","","","","(5Z)-1-Methyl-5-[[(3-methyl-2-pyridyl)amino]methylene]hexahydropyrimidine-2,4,6-trione","","CC1=C(N=CC=C1)N=CC2=C(N(C(=O)NC2=O)C)O","NVHPBGSOYDJDDO-MKMNVTDBSA-N","135484737",NA,"PDBC05704","698571","Present"
-"(5Z)-1-[(E)-(4-Chlorophenyl)methyleneamino]-5-[(5E)-5-[1-[(E)-(4-chlorophenyl)methyleneamino]-5-cyano-4-methyl-2,6-dioxo-3-pyridylidene]furo[3,4-b]pyrazin-7-ylidene]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","(5Z)-1-[(E)-(4-Chlorophenyl)methylideneamino]-5-[(5E)-5-[1-[(E)-(4-chlorophenyl)methylideneamino]-5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene]furo[3,4-b]pyrazin-7-ylidene]-4-methyl-2,6-dioxopyridine-3","","CC1=C(C(=O)N(C(=O)C1=C2C3=NC=CN=C3C(=C4C(=C(C(=O)N(C4=O)N=CC5=CC=C(C=C5)Cl)C#N)C)O2)N=CC6=CC=C(C=C6)Cl)C#N","HZRRTSYTIAXOPK-TYMNBSTFSA-N","9554741",NA,"PDBC05705","685673","Present"
-"(5Z)-2,9-Dimethoxy-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium","","","","","","","","","","","","","","","","","","","","(5Z)-2,9-Dimethoxy-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium","","COC1=CC2=C(C=C1)[N+](=[N+](C3=C(CC2)C=C(C=C3)OC)[O-])[O-]","PSEWIQFVVLQNNL-ZCXUNETKSA-N","135484514",NA,"PDBC05706","365400","Present"
-"(5Z)-2-(2-Chloro-5-nitro-phenyl)-3-(4-methoxyphenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-(2-Chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one","","CC(=C1C(=O)N(C(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OC)C4=CC5=CC=CC=C5OC4=O","QSWCSETWBQHEKX-IWIPYMOSSA-N","3004302",NA,"PDBC05707","643739","Present"
-"(5Z)-2-(2-Chloro-5-nitro-phenyl)-3-(m-tolyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-(2-Chloro-5-nitro-phenyl)-3-(m-tolyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one","","CC1=CC(=CC=C1)N2C(=NC(=C(C)C3=CC4=CC=CC=C4OC3=O)C2=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl","MEYGLTXFAHMHGG-JLPGSUDCSA-N","3004301",NA,"PDBC05708","643738","Present"
-"(5Z)-2-Butylsulfanyl-4-chloro-5-(furan-2-ylmethylidene)imidazole","","","","","","","","","","","","","","","","","","","","(5Z)-2-Butylsulfanyl-4-chloro-5-(furan-2-ylmethylidene)imidazole","","CCCCSC1=NC(=CC2=CC=CO2)C(=N1)Cl","WYDVYCQDNYOJNG-NTMALXAHSA-N","5470879",NA,"PDBC05709","706024","Present"
-"(5Z)-2-Butylsulfanyl-5-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-4-one","","","","","","","","","","","","","","","","","","","","(4Z)-2-Butylsulfanyl-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one","","CCCCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C(=O)N1","SASDMWYESMARNS-KAMYIIQDSA-N","135505211",NA,"PDBC05710","704868","Present"
-"(5Z)-2-Imino-3-phenyl-5-phenylimino-1-[(E)-2-pyridylmethyleneamino]imidazolidine-4-thione","","","","","","","","","","","","","","","","","","","","(5Z)-2-Imino-3-phenyl-5-phenylimino-1-[(E)-2-pyridylmethyleneamino]imidazolidine-4-thione","","C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2N=CC3=CC=CC=N3)C4=CC=CC=C4","IWAGBPSMUGVYPU-PRSDJWIOSA-N","9574763",NA,"PDBC05711","671405","Present"
-"(5Z)-2-Methylsulfanyl-3-(1-piperidylmethyl)-5-(2-thienylmethylene)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-Methylsulfanyl-3-(1-piperidylmethyl)-5-(2-thienylmethylene)imidazol-4-one","","CSC1=NC(=CC2=CC=CS2)C(=O)N1CN3CCCCC3","ZPGSTKDPLVBGHF-RAXLEYEMSA-N","5469489",NA,"PDBC05712","688952","Present"
-"(5Z)-2-Methylsulfanyl-3-(1-piperidylmethyl)-5-(p-tolylmethylene)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-Methylsulfanyl-3-(1-piperidylmethyl)-5-(p-tolylmethylene)imidazol-4-one","","CC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)CN3CCCCC3","SWOAEJVPQYWSIU-VBKFSLOCSA-N","5469487",NA,"PDBC05713","688950","Present"
-"(5Z)-2-Methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-Methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one","","CSC1=NC(=CC2=CC=CS2)C(=O)N1CN3CCOCC3","GVSINYPEYJLMHI-XFXZXTDPSA-N","5469483",NA,"PDBC05714","688946","Present"
-"(5Z)-2-Methylsulfanyl-3-(morpholinomethyl)-5-(p-tolylmethylene)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-Methylsulfanyl-3-(morpholinomethyl)-5-(p-tolylmethylene)imidazol-4-one","","CC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)CN3CCOCC3","RPSKLECDVUZEOE-PTNGSMBKSA-N","5469481",NA,"PDBC05715","688944","Present"
-"(5Z)-2-Phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-Phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(N4)C=CC(=C5)SC6=CC=CC=C6","LGKJCNWULDFVBS-YUMHPJSZSA-N","5472061",NA,"PDBC05716","716166","Present"
-"(5Z)-2-Phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-Phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=NC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)C5=CC=CC=C5","QLXCRSBVRPQPDE-OYKKKHCWSA-N","5472068",NA,"PDBC05717","716173","Present"
-"(5Z)-2-Phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-Phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","PGYFPRVAGNJJPX-UQQQWYQISA-N","5471558",NA,"PDBC05718","711872","Present"
-"(5Z)-2-Phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-Phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","JUSZXHXJDYIXKG-QQXSKIMKSA-N","5471551",NA,"PDBC05719","711865","Present"
-"(5Z)-2-[(1-Hydroxy-3-phenylpropan-2-yl)amino]-5-(quinolin-6-ylmethylidene)-1,3-thiazol-4-one","","","","","","","","","","","","","","","","","","","","NSC767379///NSC767389","","C1=CC=C(C=C1)CC(CO)N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","KKCUZFMLJMQYMJ-MOSHPQCFSA-N","135428195",NA,"PDBC05720","767379///767389","Present"
-"(5Z)-2-[(E)-But-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-[(E)-But-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one","","CC=CCSC1=NC(=CC2=CC=CS2)C(=O)N1CC=C","WAYAVDMXGAGAIO-CMSYKNKYSA-N","5470565",NA,"PDBC05721","703032","Present"
-"(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-(furan-2-ylmethylidene)-3-prop-2-enylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-(furan-2-ylmethylidene)-3-prop-2-enylimidazol-4-one","","CC=CCSC1=NC(=CC2=CC=CO2)C(=O)N1CC=C","VBPGFSQVLVYBNJ-CMSYKNKYSA-N","5470566",NA,"PDBC05722","703033","Present"
-"(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-chlorophenyl)methylidene]-3-prop-2-enylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-chlorophenyl)methylidene]-3-prop-2-enylimidazol-4-one","","CC=CCSC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CC=C","JKUMZQSHTZCZKL-ALFMNPPXSA-N","5470564",NA,"PDBC05723","703031","Present"
-"(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enylimidazol-4-one","","CC=CCSC1=NC(=CC2=CC=C(C=C2)OC)C(=O)N1CC=C","VGIIZUUZIAVQKH-MRYLJDLVSA-N","5470562",NA,"PDBC05724","703029","Present"
-"(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-methylphenyl)methylidene]-3-prop-2-enylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-methylphenyl)methylidene]-3-prop-2-enylimidazol-4-one","","CC=CCSC1=NC(=CC2=CC=C(C=C2)C)C(=O)N1CC=C","ZOQADOSAXINVCP-MRYLJDLVSA-N","5470563",NA,"PDBC05725","703030","Present"
-"(5Z)-2-[2-[4-(4-Bromophenyl)thiazol-2-yl]hydrazino]-5-[(3,4,5-trimethoxyphenyl)methylene]thiazol-4-one","","","","","","","","","","","","","","","","","","","","(2E,5Z)-2-[[4-(4-Bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)NC(=NNC3=NC(=CS3)C4=CC=C(C=C4)Br)S2","KVZNQWABIWTQDF-ZDLGFXPLSA-N","135499369",NA,"PDBC05726","657457","Present"
-"(5Z)-3-(1,3-Benzothiazol-2-yl)-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(1,3-Benzothiazol-2-yl)-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CS3)C(=O)N2C4=NC5=CC=CC=C5S4","XAWICDXFJWTYBL-LGMDPLHJSA-N","5471790",NA,"PDBC05727","713707","Present"
-"(5Z)-3-(1,3-Benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(1,3-Benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4","YLPZPHIILRZBGO-UYRXBGFRSA-N","5471789",NA,"PDBC05728","713706","Present"
-"(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3O)C(=O)N2C4=NC5=CC=CC=C5S4","DYLJLIMKVLNIJW-JXAWBTAJSA-N","5471774",NA,"PDBC05729","713682","Present"
-"(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3[N+](=O)[O-])C(=O)N2C4=NC5=CC=CC=C5S4","LYGGGFCNCRTUEY-JXAWBTAJSA-N","5471788",NA,"PDBC05730","713705","Present"
-"(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one","","CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)O","ZBEWYWIUEYJRIR-RGEXLXHISA-N","5471775",NA,"PDBC05731","713683","Present"
-"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl","UOKWSWLSESHUQD-YVLHZVERSA-N","5471538",NA,"PDBC05732","711852","Present"
-"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl","YEGSJAYFWULONC-ZDLGFXPLSA-N","5471533",NA,"PDBC05733","711847","Present"
-"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one","","COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5Cl)Cl)O","ZTHXONLHSQWQRH-MFOYZWKCSA-N","5471532",NA,"PDBC05734","711846","Present"
-"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one","","CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5Cl)Cl","IUWFADLHLKFTCE-ODLFYWEKSA-N","5471535",NA,"PDBC05735","711849","Present"
-"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C=CC(=O)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5Cl)Cl","LAOMXZAWSLSXGV-IVCLMZBLSA-N","5471529",NA,"PDBC05736","711843","Present"
-"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CCC3=CC=CO3)C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl","DDQUFOMFABQQPS-MFOYZWKCSA-N","5471534",NA,"PDBC05737","711848","Present"
-"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5Cl)Cl","UDTSWQOKFUZJFX-NDENLUEZSA-N","5471536",NA,"PDBC05738","711850","Present"
-"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC=CC=C4S)C3=O)C5=CC=CC=C5","DKGBEGYARDQXRR-VKAVYKQESA-N","5471518",NA,"PDBC05739","711832","Present"
-"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)C5=CC=CC=C5","KGKGMCQOIQUSDE-AQTBWJFISA-N","5471512",NA,"PDBC05740","711825","Present"
-"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)C5=CC=CC=C5","CZCUAZKCMKYIMO-JXAWBTAJSA-N","5471514",NA,"PDBC05741","711827","Present"
-"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one","","COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC(=CC=C4)OC5=CC=CC=C5)C3=O)C6=CC=CC=C6","NMYFYHDPJLZFNW-CLCOLTQESA-N","5471517",NA,"PDBC05742","711831","Present"
-"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one","","COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC(=C(C=C4)O)OC)C3=O)C5=CC=CC=C5","MOIZUZOHGFZSGR-LGMDPLHJSA-N","5471513",NA,"PDBC05743","711826","Present"
-"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one","","COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)SC)C3=O)C5=CC=CC=C5","MQHLQSLVPPXQHH-CYVLTUHYSA-N","5471516",NA,"PDBC05744","711829","Present"
-"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one","","COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CCC4=CC=CO4)C3=O)C5=CC=CC=C5","YAYLWRSUKZPICH-BOPFTXTBSA-N","5471515",NA,"PDBC05745","711828","Present"
-"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(C=CC(=C5S4)OC)OC","NGWMAPOKKPWLIJ-SILNSSARSA-N","1273997",NA,"PDBC05746","711830","Present"
-"(5Z)-3-(4-Bromophenyl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4-Bromophenyl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one","","CC(=C1C(=O)N(C(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)Br)C4=CC5=CC=CC=C5OC4=O","AEBZTTXIXDKQIR-UCQKPKSFSA-N","3001637",NA,"PDBC05747","643736","Present"
-"(5Z)-3-(4-Chlorocyclohexa-1,3-dien-1-yl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(4-Chlorocyclohexa-1,3-dien-1-yl)-2-(2-chloro-5-nitrophenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one","","CC(=C1C(=O)N(C(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(CC3)Cl)C4=CC5=CC=CC=C5OC4=O","MBDXRJNIATYDCP-UCQKPKSFSA-N","3004300",NA,"PDBC05748","643737","Present"
-"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC=CC=C4S)C3=O)C5=CC=CC=C5","MDFFNDPWTYNYSE-ZHZULCJRSA-N","5471548",NA,"PDBC05749","711862","Present"
-"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)C5=CC=CC=C5","IYLZZIJCIKEFCH-BKUYFWCQSA-N","5471541",NA,"PDBC05750","711855","Present"
-"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one","","CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC(=C(C=C4)O)OC)C3=O)C5=CC=CC=C5","UEJIZWXALABPCL-MOSHPQCFSA-N","5471542",NA,"PDBC05751","711856","Present"
-"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one","","CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)OC5=CC=CC=C5)C3=O)C6=CC=CC=C6","SBKISOUVLXLPQI-DIBXZPPDSA-N","5471547",NA,"PDBC05752","711861","Present"
-"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one","","CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CCC4=CC=CO4)C3=O)C5=CC=CC=C5","PTCJHEDPPKNFTQ-ODLFYWEKSA-N","5471544",NA,"PDBC05753","711858","Present"
-"(5Z)-3-(Dimethylamino)-5-[(4-nitrophenyl)methylene]thiazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","(5Z)-3-(Dimethylamino)-5-[(4-nitrophenyl)methylene]thiazolidine-2,4-dione","","CN(C)N1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])SC1=O","KDMUDFDUCZHUEI-YFHOEESVSA-N","5468282",NA,"PDBC05754","667510","Present"
-"(5Z)-3-(Dimethylaminomethyl)-5-[1-(dimethylaminomethyl)-2-oxo-indolin-3-ylidene]thiazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","2,4-Thiazolidinedione, 3-[(dimethylamino)methyl]-5-[1-[(...","","CN(C)CN1C2=CC=CC=C2C(=C3C(=O)N(C(=O)S3)CN(C)C)C1=O","IHSVGUNOFKTLFA-YPKPFQOOSA-N","3000988",NA,"PDBC05755","363916","Present"
-"(5Z)-3-(Morpholinomethyl)-5-(p-tolylmethylene)-2-thioxo-imidazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-Thioxo-3-(morpholinomethyl)-5-[(Z)-4-methylbenzylidene]imidazolidine-4-one","","CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CN3CCOCC3","SXHPRVLCMCXSHD-UVTDQMKNSA-N","5469469",NA,"PDBC05756","688931","Present"
-"(5Z)-3-Chloro-4-(3-chloro-4-hydroxyphenyl)-5-(4-hydroxybenzylidene)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","(Z)-3-chloro-4-(3'-chloro-4'-hydroxyphenyl)-5-(4","","C1=CC(=CC=C1C=C2C(=C(C(=O)O2)Cl)C3=CC(=C(C=C3)O)Cl)O","ZELORUMEECNHKI-AUWJEWJLSA-N","5472906",NA,"PDBC05757","722458","Present"
-"(5Z)-3-Chloro-4-(3-chloro-4-methoxyphenyl)-5-(4-methoxybenzylidene)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","(Z)-3-chloro-4-(3'-chloro-4'-methoxyphenyl)-5-(4","","COC1=CC=C(C=C1)C=C2C(=C(C(=O)O2)Cl)C3=CC(=C(C=C3)OC)Cl","WERPYDCIODMERE-SXGWCWSVSA-N","5472909",NA,"PDBC05758","722461","Present"
-"(5Z)-3-Chloro-4-(4-methoxyphenyl)-5-(4-methoxybenzylidene)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","(Z)-3-chloro-4-(4'-methoxyphenyl)-5-(4","","COC1=CC=C(C=C1)C=C2C(=C(C(=O)O2)Cl)C3=CC=C(C=C3)OC","VJTMJQGMNZNPAM-WJDWOHSUSA-N","5472905",NA,"PDBC05759","722457","Present"
-"(5Z)-3-Cyclopropyl-5-[(2,3-dichlorophenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-Cyclopropyl-5-[(2,3-dichlorophenyl)methylidene]-2-phenylimidazol-4-one","","C1CC1N2C(=NC(=CC3=C(C(=CC=C3)Cl)Cl)C2=O)C4=CC=CC=C4","XUZBHQLRTBZCGF-WJDWOHSUSA-N","24204095",NA,"PDBC05760","730581","Present"
-"(5Z)-3-Prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-Prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one","","C=CCN1C(=O)C(=CC2=CC=CS2)N=C1SCC=C","UULLAUGEEZHUHY-BENRWUELSA-N","5470559",NA,"PDBC05761","703026","Present"
-"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC=CC=C4S)C3=O)C5=CC=CC=C5","NNWGRVIPRWMCEO-KWOCPRBISA-N","9572334",NA,"PDBC05762","711902","Present"
-"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)C5=CC=CC=C5","ISMBCJDXOJRTNO-LNHBEJPFSA-N","9572327",NA,"PDBC05763","711895","Present"
-"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)C5=CC=CC=C5","CLVKDVCKGHENDD-JHTRWWIWSA-N","9572329",NA,"PDBC05764","711897","Present"
-"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one","","CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC(=C(C=C4)O)OC)C3=O)C5=CC=CC=C5","IFILOAHPDOQLHJ-IJYZDDJUSA-N","9572328",NA,"PDBC05765","711896","Present"
-"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one","","CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC=C(C=C4)SC)C3=O)C5=CC=CC=C5","DXDXBBOEXDPNRT-KBOXTYINSA-N","9572331",NA,"PDBC05766","711899","Present"
-"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one","","CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CCC4=CC=CO4)C3=O)C5=CC=CC=C5","XQWLDCZERNDJGU-HLVUAULZSA-N","9572330",NA,"PDBC05767","711898","Present"
-"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one","","CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC=C(C=C4)N(C)C)C3=O)C5=CC=CC=C5","WWRITSFANDFVDD-SGHMZTNKSA-N","9572332",NA,"PDBC05768","711900","Present"
-"(5Z)-3-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylene]imidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-5-(2-ethoxybenzylidene)-2,4-imidazolidinedione","","CCOC1=CC=CC=C1C=C2C(=O)N(C(=O)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","HXCFWRDKNVJZBL-IDLVQZBLSA-N","6477387",NA,"PDBC05769","657434","Present"
-"(5Z)-3-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxy-phenyl)methylene]imidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","(5Z)-3-[(Z)-(2,4-Dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione","","COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N2)C=C3C(=O)C4=CC=CC=C4OC3=O)O","BYBRECSTMAPGQU-RRSUZHDMSA-N","5467661",NA,"PDBC05770","657602","Present"
-"(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CS3)C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=CS8)C7=O)C9=CC=CC=C9","HOIOHMBUYXWZTJ-HJTNQMAYSA-N","5471794",NA,"PDBC05771","713711","Present"
-"(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imid","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC(=C(C(=C8)OC)OC)OC)C7=O)C9=CC=CC=C9","MYPBBVUPFHFLIX-KUUUIRGPSA-N","5471793",NA,"PDBC05772","713710","Present"
-"(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]imidazol-4-one","","C1=CC=C(C=C1)C=CC=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC=CC8=CC=CC=C8)C7=O)C9=CC=CC=C9","UIPPEAHCSMVVNC-PMQQTWLNSA-N","5471778",NA,"PDBC05773","713687","Present"
-"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC(=CC=C7)[N+](=O)[O-])C6=O)C8=CC=CC=C8","UIXFFDXDKNMGMH-AHIPKILKSA-N","5471572",NA,"PDBC05774","711887","Present"
-"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one","","COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC(=C(C=C7)O)OC)C6=O)C8=CC=CC=C8)O","JQPJBLDKRBOTQJ-UKJDBFPPSA-N","5471571",NA,"PDBC05775","711886","Present"
-"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one","","CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC=C(C=C7)SC)C6=O)C8=CC=CC=C8","UMRRTVAWQOCNPX-KYXNYYCHSA-N","5471574",NA,"PDBC05776","711889","Present"
-"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[2-(furan-2-yl)ethylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[2-(furan-2-yl)ethylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CCC3=CC=CO3)C(=O)N2C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CCC7=CC=CO7)C6=O)C8=CC=CC=C8","NYHDILPSNXCOQM-RXCNPGAZSA-N","5471573",NA,"PDBC05777","711888","Present"
-"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC=C(C=C7)N(C)C)C6=O)C8=CC=CC=C8","AOCFQRXMYDTEMK-BAUNQOMESA-N","5471575",NA,"PDBC05778","711890","Present"
-"(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC=CC=C7S)C6=O)C8=CC=CC=C8","UDTSIKWASHCMMQ-APKAYSKISA-N","5471576",NA,"PDBC05779","711892","Present"
-"(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC(=C(C(=C7)OC)OC)OC)C6=O)C8=CC=CC=C8","LFOHZZXDRVDFKR-TUPMYYBFSA-N","5471570",NA,"PDBC05780","711885","Present"
-"(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N2C5=C(C=C(C=C5)C(=O)C6=CC=CC=C6)N7C(=NC(=CC8=CC(=CC=C8)OC9=CC=CC=C9)C7=O)C1=CC=CC=C1","ZJAAHUZPFZQHEW-OPJUKZJOSA-N","16129940",NA,"PDBC05781","711891","Present"
-"(5Z)-3-[7-[(4Z)-5-Oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[7-[(4Z)-5-Oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2C4=CC5=C(C=C4)NC6=C(S5)C=C(C=C6)N7C(=NC(=CC8=CC=CC=C8S)C7=O)C9=CC=CC=C9","QDQKEABSXVHDEW-RXCNPGAZSA-N","5471567",NA,"PDBC05782","711882","Present"
-"(5Z)-3-[7-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[7-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)NC6=C(S5)C=C(C=C6)N7C(=NC(=CC8=CC(=C(C(=C8)OC)OC)OC)C7=O)C9=CC=CC=C9","VHFXEPFLEAAFGO-HLQQZESDSA-N","5471561",NA,"PDBC05783","711875","Present"
-"(5Z)-3-[7-[(4Z)-5-Oxo-4-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-[7-[(4Z)-5-Oxo-4-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C=CC(=O)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)NC6=C(S5)C=C(C=C6)N7C(=NC(=CC(=O)C=CC8=CC=CC=C8)C7=O)C9=CC=CC=C9","YZFFJLBBLZEHDM-WIXYHAJXSA-N","5471559",NA,"PDBC05784","711873","Present"
-"(5Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione","","","","","","","","","","","","","","","","","","","","(5Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione","","CC1=CC(=C(C=C1)C)N2C(=O)C(=NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","JPZHGAYRICRIRF-KQWNVCNZSA-N","6165207",NA,"PDBC05785","635424","Present"
-"(5Z)-4-(1,3-Benzothiazol-2-yl)-5-(1,4-dihydroxyphthalazin-5-yl)imino-1-(2,5-dimethylphenyl)piperidine-2,3,6-trione","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)imino]piperidine-2,3,6-trione","","CC1=CC(=C(C=C1)C)N2C(=O)C(=NC3=CC=CC4=C3C(=O)NNC4=O)C(C(=O)C2=O)C5=NC6=CC=CC=C6S5","YCNXHSFIIYQBPS-UHFFFAOYSA-N","360996",NA,"PDBC05786","623728","Present"
-"(5Z)-4-(1,3-Benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5-hydrazinylidene-piperidine-2,3,6-trione","","","","","","","","","","","","","","","","","","","","(5Z)-4-(1,3-Benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5-hydrazinylidene-piperidine-2,3,6-trione","","C1=CC=C2C(=C1)N=C(O2)C3C(=NN)C(=O)N(C(=O)C3=O)C4=C(C=C(C=C4)Cl)Cl","MCQVCSPRKTXCTO-UCQKPKSFSA-N","6013204",NA,"PDBC05787","623732","Present"
-"(5Z)-4-(1,3-Benzoxazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione","","","","","","","","","","","","","","","","","","","","(5Z)-4-(1,3-Benzoxazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione","","CC1=CC(=C(C=C1)C)N2C(=O)C(=NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","NSDVLMSARMOEIT-KQWNVCNZSA-N","5932979",NA,"PDBC05788","623049","Present"
-"(5Z)-4-Chloro-2-ethylsulfanyl-5-(2-furylmethylene)imidazole","","","","","","","","","","","","","","","","","","","","(5Z)-4-Chloro-2-ethylsulfanyl-5-(2-furylmethylene)imidazole","","CCSC1=NC(=CC2=CC=CO2)C(=N1)Cl","HALVAOBVGRUDBD-VURMDHGXSA-N","5469626",NA,"PDBC05789","690962","Present"
-"(5Z)-4-Methoxy-5-(methoxymethylidene)furan-2-one","","","","","","","","","","","","","","","","","","","","(5Z)-4-Methoxy-5-(methoxymethylidene)furan-2-one","","COC=C1C(=CC(=O)O1)OC","LHAPRBUQPZAPFV-XQRVVYSFSA-N","5387000",NA,"PDBC05790","619532","Present"
-"(5Z)-5-(1H-Indol-3-ylmethylidene)-2-methylsulfanyl-1H-imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-(1H-Indol-3-ylmethylidene)-2-methylsulfanyl-1H-imidazol-4-one","","CSC1=NC(=C(N1)C=C2C=NC3=CC=CC=C32)O","JHFSQZFFXWWVQM-SOFGYWHQSA-N","135401432",NA,"PDBC05791","709996","Present"
-"(5Z)-5-(2-Furylmethylene)-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-(2-Furylmethylene)-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one","","CSC1=NC(=CC2=CC=CO2)C(=O)N1CN3CCCCC3","SZELRWDLPYBUNP-RAXLEYEMSA-N","5469490",NA,"PDBC05792","688953","Present"
-"(5Z)-5-(2-Furylmethylene)-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-(2-Furylmethylene)-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one","","CSC1=NC(=CC2=CC=CO2)C(=O)N1CN3CCOCC3","HOXAPWRDAVNUKJ-XFXZXTDPSA-N","5469484",NA,"PDBC05793","688947","Present"
-"(5Z)-5-(Ethoxymethylidene)-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-(Ethoxymethylidene)-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one","","CCOC=C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)OCC","KIKPSPFZIGHDIM-XFXZXTDPSA-N","5383324",NA,"PDBC05794","164985","Present"
-"(5Z)-5-(Furan-2-ylmethylidene)-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-(Furan-2-ylmethylidene)-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CO3)C(=O)N2C4=CC5=C(N4)C=CC(=C5)SC6=CC=CC=C6","BGAAASLCWGIBDS-BWAHOGKJSA-N","5472058",NA,"PDBC05795","716163","Present"
-"(5Z)-5-(Furan-2-ylmethylidene)-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-(Furan-2-ylmethylidene)-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one","","CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=NC(=CC4=CC=CO4)C3=O)C5=CC=CC=C5","HMLRKMRSHSEODW-JWGURIENSA-N","5472065",NA,"PDBC05796","716170","Present"
-"(5Z)-5-(Furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-(Furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one","","C=CCN1C(=O)C(=CC2=CC=CO2)N=C1SCC=C","WWEURECFVGGPJR-BENRWUELSA-N","5470560",NA,"PDBC05797","703027","Present"
-"(5Z)-5-Benzylidene-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-Benzylidene-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enylimidazol-4-one","","CC=CCSC1=NC(=CC2=CC=CC=C2)C(=O)N1CC=C","LNGXYUISTHXZBI-LROUIXOYSA-N","5470561",NA,"PDBC05798","703028","Present"
-"(5Z)-5-Benzylidene-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-Benzylidene-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one","","CSC1=NC(=CC2=CC=CC=C2)C(=O)N1CN3CCCCC3","HRDURGODWZWLNC-QINSGFPZSA-N","5469485",NA,"PDBC05799","688948","Present"
-"(5Z)-5-Benzylidene-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-Benzylidene-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one","","CSC1=NC(=CC2=CC=CC=C2)C(=O)N1CN3CCOCC3","CUFSJHFIXYPSCY-KAMYIIQDSA-N","5469479",NA,"PDBC05800","688942","Present"
-"(5Z)-5-Benzylidene-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-Benzylidene-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one","","CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=NC(=CC4=CC=CC=C4)C3=O)C5=CC=CC=C5","ALTSAPVIDQNIQK-JLPGSUDCSA-N","5472064",NA,"PDBC05801","716169","Present"
-"(5Z)-5-Benzylidene-2-phenyl-oxazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-Benzylidene-2-phenyl-oxazol-4-one","","C1=CC=C(C=C1)C=C2C(=O)N=C(O2)C3=CC=CC=C3","VZOZDTBBGBQEOS-KAMYIIQDSA-N","5936967",NA,"PDBC05802","700134","Present"
-"(5Z)-5-Benzylidene-3-[2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-Benzylidene-3-[2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=CC=C8)C7=O)C9=CC=CC=C9","OYXZFLVYRRWLGZ-RYJWMXFHSA-N","5471777",NA,"PDBC05803","713686","Present"
-"(5Z)-5-Benzylidene-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-Benzylidene-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one","","C=CCN1C(=O)C(=CC2=CC=CC=C2)N=C1SCC=C","IOZMNZPEMHHXBG-OWBHPGMISA-N","5470555",NA,"PDBC05804","703022","Present"
-"(5Z)-5-Benzylidene-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-Benzylidene-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one","","C=CCN1C(=O)C(=CC2=CC=CC=C2)NC1=S","CYABOUGGYACUAF-LUAWRHEFSA-N","5470553",NA,"PDBC05805","703019","Present"
-"(5Z)-5-[(2,4-Dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one;hydrofluoride","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(2,4-Dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one;hydrofluoride","","C1=CC=C(C=C1)C2=NC(=CC3=C(C=C(C=C3)Cl)Cl)C(=O)N2CC4=CC=CO4.F","DLJCJOUXRQBNFU-XHFAFUTOSA-N","24205160",NA,"PDBC05806","734479","Present"
-"(5Z)-5-[(2-Chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(2-Chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3Cl)C(=O)N2CC4=CC=CO4","FTSYJADOLAAZHP-UYRXBGFRSA-N","24204861",NA,"PDBC05807","733164","Present"
-"(5Z)-5-[(2-Hydroxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(2-Hydroxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione","","C1=CC=C2C(=C1)C=CC(=O)C2=CC3=C(NC(=O)N3)O","NQOHIKXQSXBTLV-YFHOEESVSA-N","135458242",NA,"PDBC05808","659434","Present"
-"(5Z)-5-[(2-Hydroxyphenyl)methylidene]-3-[2-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(2-Hydroxyphenyl)methylidene]-3-[2-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3O)C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=CC=C8O)C7=O)C9=CC=CC=C9","DWUBDRNBZWSPEQ-NAZWXXJZSA-N","5471779",NA,"PDBC05809","713688","Present"
-"(5Z)-5-[(2-Nitrophenyl)methylidene]-3-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(2-Nitrophenyl)methylidene]-3-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3[N+](=O)[O-])C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=CC=C8[N+](=O)[O-])C7=O)C9=CC=CC=C9","BTKSFMWAXFHVPU-NAZWXXJZSA-N","5471792",NA,"PDBC05810","713709","Present"
-"(5Z)-5-[(2E)-2-(5-Ethyl-1-methylpyridin-2(1H)-ylidene)ethylidene]-8-oxo-5,8-dihydroquinolin-1-ium iodide","","","","","","","","","","","","","","","","","","","","Pyridinium, 5-ethyl-2-[2-(8-hydroxy-5-quinolyl)vinyl]-1-...","","CCC1=C[N+](=C(C=C1)C=CC2=C3C=CC=NC3=C(C=C2)O)C.[I-]","SCVZLKUUPUQUSM-UHFFFAOYSA-N","135534376",NA,"PDBC05811","79543","Present"
-"(5Z)-5-[(3-Nitrophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(3-Nitrophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N2C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","AKOKPFRPVNDJHL-ONUIUJJFSA-N","5471553",NA,"PDBC05812","711867","Present"
-"(5Z)-5-[(3-Nitrophenyl)methylidene]-3-[7-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(3-Nitrophenyl)methylidene]-3-[7-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N2C4=CC5=C(C=C4)NC6=C(S5)C=C(C=C6)N7C(=NC(=CC8=CC(=CC=C8)[N+](=O)[O-])C7=O)C9=CC=CC=C9","IMFOPANVTCEBKO-PXDBBHOGSA-N","5471563",NA,"PDBC05813","711877","Present"
-"(5Z)-5-[(3-Phenoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(3-Phenoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N2C5=NC6=C(N5)C=C(C=C6)SC7=CC=CC=C7","BOJMXVPKBXNPOW-JDCMOKTRSA-N","5471557",NA,"PDBC05814","711871","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylene]-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","2-(Methylthio)-3-(piperidinomethyl)-5-[(Z)-4-chlorobenzylidene]-1-imidazoline-4-one","","CSC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CN3CCCCC3","UPWQATIBVPWQPW-PTNGSMBKSA-N","5469488",NA,"PDBC05815","688951","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one","","CSC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CN3CCOCC3","ABLPJJNIYNCJSN-UVTDQMKNSA-N","5469482",NA,"PDBC05816","688945","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2CCC4=CC=CS4","PDWAKOYCRCTLSK-HKWRFOASSA-N","60147820",NA,"PDBC05817","752476","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","KXHVXWGIDSNHET-ONUIUJJFSA-N","5471550",NA,"PDBC05818","711864","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]imidazol-4-one","","CC1=CC(=NN2C(=NC(=CC3=CC=C(C=C3)Cl)C2=O)C4=CC=CC=C4)CC(C1)(C)C","XFMOPPBNAYZPDB-VGXUKZGPSA-N","9572336",NA,"PDBC05819","711904","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl","YMXPXRJMDAJEOH-ZDLGFXPLSA-N","5471530",NA,"PDBC05820","711844","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one","","COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)Cl)C3=O)C5=CC=CC=C5","FCPQIUXPDCDQLS-JXAWBTAJSA-N","5471511",NA,"PDBC05821","711824","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one","","CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)Cl)C3=O)C5=CC=CC=C5","SGUYHQOXXUAGBS-STZFKDTASA-N","5471540",NA,"PDBC05822","711854","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2N=CC4=CC=CC=C4O","HMRHLLQLZROROM-KLINPMNRSA-N","135436278",NA,"PDBC05823","717234","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-[2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-[2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=C(C=C8)Cl)C7=O)C9=CC=CC=C9","GSKNHZBUYZKLAX-CDSIFPFTSA-N","5471781",NA,"PDBC05824","713690","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one","","C=CCN1C(=O)C(=CC2=CC=C(C=C2)Cl)N=C1SCC=C","UOBAHPXCGXIHJZ-KAMYIIQDSA-N","5470558",NA,"PDBC05825","703025","Present"
-"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione","","C=CCN1C(=O)C(=CC2=CC=C(C=C2)Cl)NC1=O","JLCCMZKFLXRBAS-FLIBITNWSA-N","5470749",NA,"PDBC05826","704864","Present"
-"(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one","","COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(N4)C=CC(=C5)SC6=CC=CC=C6)O","HOUXLYIVSIWMPG-QQXSKIMKSA-N","5472059",NA,"PDBC05827","716164","Present"
-"(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one","","CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=NC(=CC4=CC(=C(C=C4)O)OC)C3=O)C5=CC=CC=C5","RSKSGANXKWNKJD-UCQKPKSFSA-N","5472066",NA,"PDBC05828","716171","Present"
-"(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6)O","VTONFJQVTRIKAX-XYGWBWBKSA-N","5471552",NA,"PDBC05829","711866","Present"
-"(5Z)-5-[(4-Methoxyphenyl)methylene]-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","2-(Methylthio)-3-(piperidinomethyl)-5-[(Z)-4-methoxybenzylidene]-1-imidazoline-4-one","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)CN3CCCCC3","IVIFDIXHPZKVHL-VBKFSLOCSA-N","5469486",NA,"PDBC05830","688949","Present"
-"(5Z)-5-[(4-Methoxyphenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Methoxyphenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)CN3CCOCC3","POKZSDLAWNUOKU-PTNGSMBKSA-N","5469480",NA,"PDBC05831","688943","Present"
-"(5Z)-5-[(4-Methoxyphenyl)methylidene]-3-[2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Methoxyphenyl)methylidene]-3-[2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=C(C=C8)OC)C7=O)C9=CC=CC=C9","HTXWIGVRWSJKBO-YWQXDYITSA-N","5471791",NA,"PDBC05832","713708","Present"
-"(5Z)-5-[(4-Methoxyphenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Methoxyphenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC=C)CC=C","KGLXHOGLAZYLIM-QINSGFPZSA-N","5470556",NA,"PDBC05833","703023","Present"
-"(5Z)-5-[(4-Methylphenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Methylphenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one","","CC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC=C)CC=C","DMTBXNBZCUSVBV-QINSGFPZSA-N","5470557",NA,"PDBC05834","703024","Present"
-"(5Z)-5-[(4-Methylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Methylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one","","CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CC=C","USPSMPUYCKVZEB-XFXZXTDPSA-N","5470554",NA,"PDBC05835","703021","Present"
-"(5Z)-5-[(4-Methylsulfanylphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Methylsulfanylphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one","","CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=NC(=CC4=CC=C(C=C4)SC)C3=O)C5=CC=CC=C5","AYCSBUBFBOIHHL-XYGWBWBKSA-N","5472067",NA,"PDBC05836","716172","Present"
-"(5Z)-5-[(4-Methylsulfanylphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(4-Methylsulfanylphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","UZTIAUKJFOAWEH-IMRQLAEWSA-N","5471555",NA,"PDBC05837","711869","Present"
-"(5Z)-5-[(E)-2-Oxo-4-phenylbut-3-enylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[(E)-2-Oxo-4-phenylbut-3-enylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","C1=CC=C(C=C1)C=CC(=O)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","ZXVHHNINDOVVRT-OODLUPFYSA-N","5471549",NA,"PDBC05838","711863","Present"
-"(5Z)-5-[2-(2,5-Dichloro-4-nitrophenyl)hydrazinylidene]-4-methyl-1,3-thiazol-2(5H)-imine","","","","","","","","","","","","","","","","","","","","(5Z)-5-[2-(2,5-Dichloro-4-nitrophenyl)hydrazinylidene]-4-methyl-1,3-thiazol-2(5H)-imine","","CC1=C(SC(=N1)N)N=NC2=CC(=C(C=C2Cl)[N+](=O)[O-])Cl","BEOGUAZIXAMUJG-UHFFFAOYSA-N","283262",NA,"PDBC05839","137635","Present"
-"(5Z)-5-[2-(4-Chlorophenyl)sulfanyl-2-(2,4-dichlorophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-imine","","","","","","","","","","","","","","","","","","","","(5Z)-5-[2-(4-Chlorophenyl)sulfanyl-2-(2,4-dichlorophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-amine","","CC1=NNC(=NC1=CC(C2=C(C=C(C=C2)Cl)Cl)SC3=CC=C(C=C3)Cl)N","PPBGFNXOTZJJBY-SXGWCWSVSA-N","6036179",NA,"PDBC05840","698026","Present"
-"(5Z)-5-[2-(4-Chlorophenyl)sulfanyl-2-(4-nitrophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-imine","","","","","","","","","","","","","","","","","","","","(5Z)-5-[2-(4-Chlorophenyl)sulfanyl-2-(4-nitrophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-imine","","CC1=NNC(=NC1=CC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)N","LMKDVVNSHRBBNH-YBEGLDIGSA-N","6478023",NA,"PDBC05841","698024","Present"
-"(5Z)-5-[2-(Furan-2-yl)ethylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[2-(Furan-2-yl)ethylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","C1=CC=C(C=C1)C2=NC(=CCC3=CC=CO3)C(=O)N2C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","FFVWHYZGHHGCCU-IWIPYMOSSA-N","5471554",NA,"PDBC05842","711868","Present"
-"(5Z)-5-[Chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole","","","","","","","","","","","","","","","","","","","","(5Z)-5-[Chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole","","CC(C)N1C(=C(C2=NN=NN2C3=CC=C(C=C3)OC)Cl)N(N=N1)C4=CC=C(C=C4)OC","BSPCLSGSSQFXPW-ZZEZOPTASA-N","3004937",NA,"PDBC05843","664408","Present"
-"(5Z)-5-[[4-(Diethylamino)phenyl]methylidene]-3-[4-(ethoxymethylamino)phenyl]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[[4-(Diethylamino)phenyl]methylidene]-3-[4-(ethoxymethylamino)phenyl]-2-phenylimidazol-4-one","","CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)NCOCC","KNVYLVORIHDNJZ-OOAXWGSJSA-N","24205751",NA,"PDBC05844","736567","Present"
-"(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","IGJYSCJSFJXHQM-USHMODERSA-N","5471556",NA,"PDBC05845","711870","Present"
-"(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one","","CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)N(C)C)C3=O)C5=CC=CC=C5","WWBRZORRLLDPIU-KQWNVCNZSA-N","5471546",NA,"PDBC05846","711860","Present"
-"(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-3-[7-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-3-[7-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)NC6=C(S5)C=C(C=C6)N7C(=NC(=CC8=CC=C(C=C8)N(C)C)C7=O)C9=CC=CC=C9","KKQDOLKSQWBUAD-HEPSPIFKSA-N","5471566",NA,"PDBC05847","711880","Present"
-"(5Z)-5-[[4-[(2R)-4-Aminobutan-2-yl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one","","","","","","","","","","","","","","","","","","","","(5Z)-5-[[4-[(2R)-4-Aminobutan-2-yl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one","","CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)C)C(C)CCN)C)C","LSCRFBMSUXHYTH-MQHRVFIMSA-N","54611460",NA,"PDBC05848","704376","Present"
-"(5Z)-8-Oxo-5-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-5,8-dihydroquinolin-1-ium","","","","","","","","","","","","","","","","","","","","5-[(E)-2-(1,3,3-Trimethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol","","CC1(C2=CC=CC=C2[N+](=C1C=CC3=C4C=CC=NC4=C(C=C3)O)C)C","BDAKSAPSXVGUJW-UHFFFAOYSA-O","135534378",NA,"PDBC05849","79544","Present"
-"(5Z)-N-(3-Chlorophenyl)-2-cyanoimino-5-(3-methyl-1,4-benzothiazin-2-ylidene)pyrimidin-1-ium-4-carboxamide","","","","","","","","","","","","","","","","","","","","(5Z)-N-(3-Chlorophenyl)-2-cyanoimino-5-(3-methyl-1,4-benzothiazin-2-ylidene)pyrimidin-1-ium-4-carboxamide","","CC1=NC2=CC=CC=C2SC1=C3C=[NH+]C(=NC#N)N=C3C(=O)NC4=CC(=CC=C4)Cl","DCXHUDQMBQJHDA-NEVNILGMSA-O","135510100",NA,"PDBC05850","631997","Present"
-"(5Z,10Z,14Z,19Z)-7-(4-Chlorophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin","","","","","","","","","","","","","","","","","","","","(5Z,10Z,14Z,19Z)-7-(4-Chlorophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin","","C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4)C9=CC=C(C=C9)Cl)C1=CC=CC=C1)N3","DDTHJDCZDHQJIJ-UHFFFAOYSA-N","135441818",NA,"PDBC05851","675262","Present"
-"(5Z,10Z,14Z,19Z)-7-(4-Methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin","","","","","","","","","","","","","","","","","","","","(5Z,10Z,14Z,19Z)-7-(4-Methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin","","COC1=CC=C(C=C1)C2=CC3=NC2=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC(=C3C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","WYVYHKKJFQHISQ-UHFFFAOYSA-N","135413910",NA,"PDBC05852","675261","Present"
-"(5Z,13E)-8-(4-Chlorophenyl)-5,13-bis[(4-chlorophenyl)methylidene]-11-ethyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-6-one","","","","","","","","","","","","","","","","","","","","(5Z,13E)-8-(4-Chlorophenyl)-5,13-bis[(4-chlorophenyl)methylidene]-11-ethyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-6-one","","CCN1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(N4C(=O)C(=CC5=CC=C(C=C5)Cl)SC4=N3)C6=CC=C(C=C6)Cl","GYGZRRGYBJLWRY-ZPSQPZCQSA-N","5470869",NA,"PDBC05853","706013","Present"
-"(5Z,7S,8E,13R,14E)-13-[Tert-butyl(dimethyl)silyl]oxy-16-[(2-methylpropan-2-yl)oxy]-10,16-dioxo-7-[(9-phenylfluoren-9-yl)amino]hexadeca-5,8,14-trienoic acid","","","","","","","","","","","","","","","","","","","","(5Z,7S,8E,13R,14E)-13-[Tert-butyl(dimethyl)silyl]oxy-16-[(2-methylpropan-2-yl)oxy]-10,16-dioxo-7-[(9-phenylfluoren-9-yl)amino]hexadeca-5,8,14-trienoic acid","","CC(C)(C)OC(=O)C=CC(CCC(=O)C=CC(C=CCCCC(=O)O)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C","KXOUCTIRZSGNMU-RFQHURMFSA-N","5471923",NA,"PDBC05854","715434","Present"
-"(5alpha)-3beta-[4,4-Di(5'-chloro-4'-hydroxy-3'-n-butoxy carbonyl)phenyl-1-buten-3-yl]cholestane","","","","","","","","","","","","","","","","","","","","(5.alpha.)-3.beta.-[4,4-Di(5'-chloro-4'-hydroxy-3'-n-but...","","CCCCOC(=O)C1=C(C(=CC(=C1)C(=CCCC2CCC3(C(C2)CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)C)C6=CC(=C(C(=C6)Cl)O)C(=O)OCCCC)Cl)O","CYHTWWFBKGOIME-GHGUNXIXSA-N","388788",NA,"PDBC05855","683874","Present"
-"(5alpha)-3beta-[4,4-Di(5'-chloro-4'-hydroxy-3'-n-propoxycarbonyl)phenyl-1-buten-3-yl]cholestane","","","","","","","","","","","","","","","","","","","","(5.alpha.)-3.beta.-[4,4-Di(5'-chloro-4'-hydroxy-3'-n-pro...","","CCCOC(=O)C1=C(C(=CC(=C1)C(=CCCC2CCC3(C(C2)CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)C)C6=CC(=C(C(=C6)Cl)O)C(=O)OCCC)Cl)O","XDEVYXRPMNENDL-SCCGAENTSA-N","388789",NA,"PDBC05856","683875","Present"
-"(6'-Acetyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate","","","","","","","","","","","","","","","","","","","","(6'-Acetyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate","","CC(=O)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3","PONNIYGIVODRMG-UHFFFAOYSA-N","398082",NA,"PDBC05857","707447","Present"
-"(6,7-Dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone","","","","","","","","","","","","","","","","","","","","6,7-dichloro-1,4-di-N-oxide-3-methylquinoxalin-2-yl-4-(4...","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]","AKXBIEDIZHYCPN-UHFFFAOYSA-N","404493",NA,"PDBC05858","720729","Present"
-"(6,7-Dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-phenyl-methanone","","","","","","","","","","","","","","","","","","","","(6,7-Dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-phenyl-methanone","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)C3=CC=CC=C3","CGXSVXICYBGCHV-UHFFFAOYSA-N","404284",NA,"PDBC05859","720465","Present"
-"(6,7-Dimethoxy-2-naphthyl)acetic acid","","","","","","","","","","","","","","","","","","","","(6,7-Dimethoxy-2-naphthyl)acetic acid","","COC1=C(C=C2C=C(C=CC2=C1)CC(=O)O)OC","OSKZYKATAHBWQX-UHFFFAOYSA-N","362311",NA,"PDBC05860","625947","Present"
-"(6,7-Dimethoxy-2-naphthyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(6,7-Dimethoxy-2-naphthyl)acetonitrile","","COC1=C(C=C2C=C(C=CC2=C1)CC#N)OC","BEFXAEJYFVNMQB-UHFFFAOYSA-N","362551",NA,"PDBC05861","626626","Present"
-"(6,8-Dichloro-2-(trifluoromethyl)-4-quinolinyl)(2-piperidinyl)methanol methanesulfonate","","","","","","","","","","","","","","","","","","","","(6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl)-(piperid...","","CS(=O)(=O)O.C1CCNC(C1)C(C2=CC(=NC3=C2C=C(C=C3Cl)Cl)C(F)(F)F)O","BKVZXESTLGCNPZ-UHFFFAOYSA-N","331342",NA,"PDBC05862","322661","Present"
-"(6-(6-Mercapto-9H-purin-9-yl)tetrahydro-2H-pyran-2-yl)methanol","","","","","","","","","","","","","","","","","","","","(6-(6-Mercapto-9H-purin-9-yl)tetrahydro-2H-pyran-2-yl)methanol","","C1CC(OC(C1)N2C=NC3=C2NC=NC3=S)CO","FLWMUHPQPQKPMV-UHFFFAOYSA-N","4581572",NA,"PDBC05863","43409","Present"
-"(6-(Aminomethyl)-6-(4-morpholinyl)bicyclo[3.1.0]hex-1-yl)methanol","","","","","","","","","","","","","","","","","","","","(6-(Aminomethyl)-6-(4-morpholinyl)bicyclo[3.1.0]hex-1-yl)methanol","","C1CC2C(C1)(C2(CN)N3CCOCC3)CO","FPINOPAJUVXPQB-UHFFFAOYSA-N","366370",NA,"PDBC05864","634746","Present"
-"(6-Acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) 2-methoxyacetate","","","","","","","","","","","","","","","","","","","","(6-Acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) 2-methoxyacetate","","CC1=C(C(=N)C2=C(C1=O)N3CCC(C3=N2)OC(=O)COC)NC(=O)C","MZSXUQCYYVQQAT-UHFFFAOYSA-N","377193",NA,"PDBC05865","658420","Present"
-"(6-Acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate","","","","","","","","","","","","","","","","","","","","(6-Acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate","","CCC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=N)NC(=O)C)C","QPNHPZIAZYHYSS-UHFFFAOYSA-N","374653",NA,"PDBC05866","652729","Present"
-"(6-Acetamido-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate","","","","","","","","","","","","","","","","","","","","6-Acetamido-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benz-i...","","CC1=CC2=C(C=C1NC(=O)C)N=C3N2CCC3OC(=O)C","XJIYXDYOCFOWKR-UHFFFAOYSA-N","389493",NA,"PDBC05867","685716","Present"
-"(6-Acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate","","","","","","","","","","","","","","","","","","","","1H-Pyrrolo[1,2-a}benzimidazole-5,8-dione, 6-(acetylamino...","","CCC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=O)NC(=O)C)C","IICCKIWFUIOTEJ-UHFFFAOYSA-N","374008",NA,"PDBC05868","651082","Present"
-"(6-Acetamido-7-methyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate","","","","","","","","","","","","","","","","","","","","6-Acetamido-7-methyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-...","","CC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N=C3N2CCC3OC(=O)C","QWSDMCYOYUSIHQ-UHFFFAOYSA-N","389494",NA,"PDBC05869","685717","Present"
-"(6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate","","","","","","","","","","","","","","","","","","","","Acetic acid,[2-formyl-9,10-dihydro-5-methoxy-9,10- dioxo...","","CC(=O)CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC(=O)C)C=O)OC","CRSVJZFTVSRTRS-UHFFFAOYSA-N","363425",NA,"PDBC05870","628336","Present"
-"(6-Acetoxy-5,7,12,14-tetraacetyl-quinoxalino[2,3-b]phenazin-13-yl) acetate","","","","","","","","","","","","","","","","","","","","(6-Acetoxy-5,7,12,14-tetraacetyl-quinoxalino[2,3-b]phenazin-13-yl) acetate","","CC(=O)N1C2=CC=CC=C2N(C3=C1C(=C4C(=C3OC(=O)C)N(C5=CC=CC=C5N4C(=O)C)C(=O)C)OC(=O)C)C(=O)C","BLKQWSCKWOPBKU-UHFFFAOYSA-N","371696",NA,"PDBC05871","646146","Present"
-"(6-Allyloxy-3,4,5-tribenzyloxy-tetrahydropyran-2-yl)methoxy-tert-butyl-dimethyl-silane","","","","","","","","","","","","","","","","","","","","Allyl 2,3,4-tri-O-benzyl-6-O-(tert-butyldimethylsilyl)- ...","","CC(C)(C)[Si](C)(C)OCC1C(C(C(C(O1)OCC=C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","BDKQSXIIYZQXSP-UHFFFAOYSA-N","361712",NA,"PDBC05872","624953","Present"
-"(6-Bromo-1,3-benzodioxol-5-yl)(4-morpholinyl)acetonitrile","","","","","","","","","","","","","","","","","","","","(6-Bromo-1,3-benzodioxol-5-yl)(4-morpholinyl)acetonitrile","","C1COCCN1C(C#N)C2=CC3=C(C=C2Br)OCO3","ODPNTXXHNRHJJY-UHFFFAOYSA-N","383755",NA,"PDBC05873","672197","Present"
-"(6-Bromo-4-oxo-3-phenylquinazolin-2-yl)methyl 2-hydroxybenzoate","","","","","","","","","","","","","","","","","","","","(6-Bromo-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)methyl 2-hydroxybenzoate","","C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)COC(=O)C4=CC=CC=C4O","VBYAWEPFQPSXSF-UHFFFAOYSA-N","369101",NA,"PDBC05874","640658","Present"
-"(6-Chloro-2-phenylquinolin-4-yl)piperidin-2-ylmethanol hydrochloride","","","","","","","","","","","","","","","","","","","","4-Quinolinemethanol, 6-chloro-2-phenyl-.alpha.-2-piperid...","","C1CCNC(C1)C(C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4)O.Cl","CKGGDBDEBXRPCE-UHFFFAOYSA-N","24181991",NA,"PDBC05875","13097","Present"
-"(6-Chloro-3-(4-methyl-1-piperidinyl)-4-pyridazinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(6-Chloro-3-(4-methyl-1-piperidinyl)-4-pyridazinyl)(phenyl)methanone","","CC1CCN(CC1)C2=NN=C(C=C2C(=O)C3=CC=CC=C3)Cl","FLXHAYHAESRZCS-UHFFFAOYSA-N","386986",NA,"PDBC05876","680297","Present"
-"(6-Chloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","Methanone, [3-(dibromomethyl)-6-chloroquinolin-2-yl] phe...","","C1=CC=C(C=C1)C(=O)C2=C(C=C3C=C(C=CC3=N2)Cl)C(Br)Br","LBZVXXFIWDUKTA-UHFFFAOYSA-N","370203",NA,"PDBC05877","642947","Present"
-"(6-Chloro-3-hydroxy-4-phenyl-3lambda(5)-quinazolin-2-yl)methyl thiocyanate","","","","","","","","","","","","","","","","","","","","(6-Chloro-3-hydroxy-4-phenyl-3lambda(5)-quinazolin-2-yl)methyl thiocyanate","","C1=CC=C(C=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CSC#N)[O-]","YROBDNZTTZNXLP-UHFFFAOYSA-N","494208",NA,"PDBC05878","286151","Present"
-"(6-Chloro-3-methyl-2-quinolinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(6-Chloro-3-methyl-2-quinolinyl)(phenyl)methanone","","CC1=CC2=C(C=CC(=C2)Cl)N=C1C(=O)C3=CC=CC=C3","RPHQNGCQCNXMFW-UHFFFAOYSA-N","370202",NA,"PDBC05879","642946","Present"
-"(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone","","COC1=CC(=C2CCCC3=C(OC1=C23)C(=O)C4=CC=CC=C4)Cl","LUSUOFLYFYBVPL-UHFFFAOYSA-N","361579",NA,"PDBC05880","624760","Present"
-"(6-Hydroxy-1-methylsulfonyl-indolin-3-yl)methyl methanesulfonate","","","","","","","","","","","","","","","","","","","","(6-Hydroxy-1-methylsulfonyl-indolin-3-yl)methyl methanesulfonate","","CS(=O)(=O)N1CC(C2=C1C=C(C=C2)O)COS(=O)(=O)C","MGSFQEKQIZNGMP-UHFFFAOYSA-N","384839",NA,"PDBC05881","675357","Present"
-"(6-Hydroxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone","","","","","","","","","","","","","","","","","","","","(6-Hydroxy-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone","","C1COCCN1CCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=C4C=CC(=C5)O","SKGUHEIQVWXDGI-UHFFFAOYSA-N","399886",NA,"PDBC05882","711024","Present"
-"(6-Imino-3-methyl-4-phenyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl)-(4-pyridyl)methanone","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-4-pheny...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)C4=CC=NC=C4","AZKCMFSDGDJYPP-UHFFFAOYSA-N","376860",NA,"PDBC05883","657979","Present"
-"(6-Methoxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) acetate","","","","","","","","","","","","","","","","","","","","(6-Methoxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) acetate","","CC1C2C(C(C(O1)OC)OC(=O)C)OC(O2)(C)C","ALFFQEBTXGGWQA-UHFFFAOYSA-N","359629",NA,"PDBC05884","620688","Present"
-"(6-Methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl-[(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]-oxoazanium","","","","","","","","","","","","","","","","","","","","(6-Methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl-[(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]-oxoazanium","","CC1(OC2C(C(OC2O1)CN[N+](=O)CC3C(C4C(O3)OC(O4)(C)C)OC)OC)C","FULYKTGZLFGGEL-UHFFFAOYSA-N","6330749",NA,"PDBC05885","618264","Present"
-"(6-Methoxy-3-methyl-2-quinolinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(6-Methoxy-3-methylquinolin-2-yl)(phenyl)methanone","","CC1=CC2=C(C=CC(=C2)OC)N=C1C(=O)C3=CC=CC=C3","RITZNXFYIQMRQO-UHFFFAOYSA-N","370209",NA,"PDBC05886","642953","Present"
-"(6-Methoxydioxan-3-yl)methanol","","","","","","","","","","","","","","","","","","","","(6-Methoxydioxan-3-yl)methanol","","COC1CCC(OO1)CO","UJEPSCABKOAZNW-UHFFFAOYSA-N","375966",NA,"PDBC05887","656320","Present"
-"(6-Methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone","","","","","","","","","","","","","","","","","","","","(6-Methoxy-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone","","COC1=CC2=C(C=C1)C(=CC=C2)C(=O)C3=CN(C4=CC=CC=C43)CCN5CCOCC5","KNKHSPBINPDPHI-UHFFFAOYSA-N","399884",NA,"PDBC05888","711022","Present"
-"(6-Methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone","","","","","","","","","","","","","","","","","","","","(6-Methoxy-1-naphthyl)-[2-methyl-1-(2-morpholinoethyl)indol-3-yl]methanone","","CC1=C(C2=CC=CC=C2N1CCN3CCOCC3)C(=O)C4=CC=CC5=C4C=CC(=C5)OC","BKVFJBPECQOFHC-UHFFFAOYSA-N","399885",NA,"PDBC05889","711023","Present"
-"(6-Methyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","Benzophenone, 3,4,5-trimethoxy-2'-methyl-4',5'-methylene...","","CC1=CC2=C(C=C1C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OCO2","BEUWRYNNEKNVFK-UHFFFAOYSA-N","345759",NA,"PDBC05890","403529","Present"
-"(6Ar)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline;2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid","","","","","","","","","","","","","","","","","","","","(6Ar)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline;2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid","","CCCCCN1C=C2CC3C(C=C(CN3C)C)C4=C2C1=CC=C4.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O","QYINIADJZVQSAQ-MLVYHOMMSA-N","353191",NA,"PDBC05891","600681","Present"
-"(6Ar,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluoren-9-ol","","","","","","","","","","","","","","","","","","","","1H-Benzo[a]fluorene-9-ol, 2,3,4,4a,5,6,6a,11,11a,11b-dec...","","CC1=CC(=CC2=C1C3(CCC4C(CCCC4(C3C2)C)(C)C)C)O","ZAZRBTKHYPRONZ-BHKBWCNASA-N","23725939",NA,"PDBC05892","743822","Present"
-"(6As)-2,3,8-Trimethoxy-9-(methylsulfonyloxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione","","","","","","","","","","","","","","","","","","","","Indeno[1,2-c]isoquinoline-5,11-dione, 6-methyl- 5-(methy...","","CN1C2C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC(=C(C=C24)OC)OS(=O)(=O)C","GPIZRQJCJKRCLG-RTBURBONSA-N","341886",NA,"PDBC05893","376254","Present"
-"(6As)-2,3-Dimethoxy-8,9-(methylenedioxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione","","","","","","","","","","","","","","","","","","","","5H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinoline- 5,12(6H)-...","","CN1C2C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C24)OCO5","XMGPGUJCNJAHRG-QZTJIDSGSA-N","335395",NA,"PDBC05894","344505","Present"
-"(6As)-2-methoxy-3-[3-(2-pyridin-2-ylbenzimidazol-1-yl)propoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(11aS)-7-methoxy-8-3-[2-(2-pyridyl)-1H-benzo[d]imidazol-...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4C5=CC=CC=C5N=C4C6=CC=CC=N6","XGTYKVWCKNWATB-IBGZPJMESA-N","44227106",NA,"PDBC05895","744017","Present"
-"(6As)-2-methoxy-3-[3-(4-phenanthren-9-ylphenoxy)propoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(11aS)-7-methoxy-8-3-[4-(9-phenanthryl)phenoxy]propoxy-2...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCOC4=CC=C(C=C4)C5=CC6=CC=CC=C6C7=CC=CC=C75","VKFFLPNHOJIKMR-SANMLTNESA-N","44203964",NA,"PDBC05896","744026","Present"
-"(6As)-2-methoxy-3-[4-(2-thiophen-2-ylbenzimidazol-1-yl)butoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(11aS)-7-methoxy-8-4-[2-(2-thienyl)-1H-benzo[d]imidazol-...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4C5=CC=CC=C5N=C4C6=CC=CS6","MQADZBPHRACIML-IBGZPJMESA-N","44226901",NA,"PDBC05897","744016","Present"
-"(6As)-2-methoxy-3-[5-[4-(2-methyl-4-oxoquinazolin-3-yl)phenoxy]pentoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(11aS)-7-methoxy-8-6-[4-(2-methyl-4-oxo-3,4-dihydro-3-qu...","","CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","GPDRVHRWVHPAOX-DEOSSOPVSA-N","45028796",NA,"PDBC05898","744332","Present"
-"(6As)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dithione","","","","","","","","","","","","","","","","","","","","(6As)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dithione","","COC1=C(C=C2C(=C1)C(=S)N3CCCC3C(=S)N2)OCC4=CC=CC=C4","ZZPCWQQZSSIIHK-INIZCTEOSA-N","5470549",NA,"PDBC05899","703013","Present"
-"(6As)-3-[2-[4-[2-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","7-methoxy-8-[2-(4-{2-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-t...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCN4CCN(CC4)CCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC","QHWCTOMQZWBPJU-ZEQRLZLVSA-N","405945",NA,"PDBC05900","723733","Present"
-"(6As)-3-[3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]oxypropoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","8-{3-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyloxyl]prop...","","CC1=NC(=CC(=N1)OCCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C5=CC=C(C=C5)F","LFEWRLNEOAGMCF-FQEVSTJZSA-N","406086",NA,"PDBC05901","724004","Present"
-"(6As)-3-[3-[[(6aS)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","7-methoxy-8-{3-[7-methoxy (11aS)-1,2,3,10,11,11a-hexahyd...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3CN2)OCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","BAPOMQVULWAKDQ-OALUTQOASA-N","406087",NA,"PDBC05902","724005","Present"
-"(6As)-3-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione","","","","","","","","","","","","","","","","","","","","(6As)-3-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)OCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","VKDJCDSWBKPZPK-JTSKRJEESA-N","403687",NA,"PDBC05903","718811","Present"
-"(6As)-3-[4-(4-chloro-6-methoxy-2-methylquinazolin-7-yl)oxybutoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","8-[4-(4-chloro-6-methyl-7-quinazolinyloxy)butoxy]7-metho...","","CC1=NC2=CC(=C(C=C2C(=N1)Cl)OC)OCCCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC","KCOCPXADFPOADF-KRWDZBQOSA-N","406092",NA,"PDBC05904","724010","Present"
-"(6As)-3-[4-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(11aS)-8-4-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]b...","","COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","HLLYDTKPUVTXKU-NRFANRHFSA-N","45028354",NA,"PDBC05905","742294","Present"
-"(6As)-3-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(11aS)-8-4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy-7-me...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5","HIEUCCMEZNTHRS-NRFANRHFSA-N","45028353",NA,"PDBC05906","742293","Present"
-"(6As)-3-[4-[4-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butyl]piperazin-1-yl]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","7-methoxy-8-[4-(4-{4-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-t...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4CCN(CC4)CCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC","JBBSKQLFCJZMSB-NSOVKSMOSA-N","405946",NA,"PDBC05907","723734","Present"
-"(6As)-3-[4-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]oxybutoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","8-{4-[6-(4-flurophenyl)-2-methyl-4-pyrimidinyloxy]butoxy...","","CC1=NC(=CC(=N1)OCCCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C5=CC=C(C=C5)F","QNDFMXVSROYBJF-NRFANRHFSA-N","405944",NA,"PDBC05908","723732","Present"
-"(6As)-3-[4-[[(6aS)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","7-methoxy-8-{4-[7-methoxy-(11aS)-1,2,3,10,11,11a-hexahyd...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3CN2)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","VCGUOFPHHADNOU-PMACEKPBSA-N","10415114",NA,"PDBC05909","726528","Present"
-"(6As)-3-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione","","","","","","","","","","","","","","","","","","","","(6As)-3-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","AZDJLTGMHTXPDJ-MBSDFSHPSA-N","403688",NA,"PDBC05910","718812","Present"
-"(6As)-3-[5-[2-(furan-2-yl)benzimidazol-1-yl]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(11aR)-7-methoxy-8-(5-[2-( -1H-2-furyl)-1H-benzo[d]imida...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4C5=CC=CC=C5N=C4C6=CC=CO6","CXTGGRMXBGAYHF-FQEVSTJZSA-N","25008105",NA,"PDBC05911","744022","Present"
-"(6As)-3-[5-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(11aS)-8-(5-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]...","","COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","IHGYHLCXETVDTK-QFIPXVFZSA-N","24881122",NA,"PDBC05912","742296","Present"
-"(6As)-3-[5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(11aS)-8-(5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentyloxy)...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5","BCGRYDWRKASEES-QFIPXVFZSA-N","45028355",NA,"PDBC05913","742295","Present"
-"(6As)-3-[5-[[(6aS)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","7-methoxy-8-{5-[7-methoxy-(11aS)-1,2,3,10,11,11a-hexahyd...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3CN2)OCCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","RWZMDZPJEOYCMB-SFTDATJTSA-N","406088",NA,"PDBC05914","724006","Present"
-"(6As)-3-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione","","","","","","","","","","","","","","","","","","","","(6As)-3-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)OCCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","RBMDXEFPCHVSOR-CYFREDJKSA-N","403689",NA,"PDBC05915","718813","Present"
-"(6As)-3-hydroxy-2-methoxy-6-sulfanylidene-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(6As)-3-hydroxy-2-methoxy-6-sulfanylidene-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=S)N2)O","OTMDPUVXYIAQRY-VIFPVBQESA-N","5470548",NA,"PDBC05916","703009","Present"
-"(6As)-4-methyl-6-sulfanylidene-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(6As)-4-methyl-6-sulfanylidene-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one","","CC1=C2C(=CC=C1)C(=O)N3CCCC3C(=S)N2","VCCTWBYAFGXJEE-JTQLQIEISA-N","5470550",NA,"PDBC05917","703014","Present"
-"(6As,12bS)-6a,8-dimethyl-9-(methylamino)-5,7,8,12b-tetrahydrobenzo[k]phenanthridin-6-one","","","","","","","","","","","","","","","","","","","","(6As,12bS)-6a,8-dimethyl-9-(methylamino)-6a,7,8,12b-tetrahydrobenzo[k]phenanthridin-6(5H)-one","","CC1CC2(C(C3=C1C(=CC=C3)NC)C4=CC=CC=C4NC2=O)C","XJXYOQUPLJHBMY-CAVRMKNVSA-N","379692",NA,"PDBC05918","664567","Present"
-"(6As,13aS)-6a,8,13-trimethyl-N-propyl-5,7,8,13a-tetrahydroquinolino[4,3-b][1]benzazepin-6-imine;hydrochloride","","","","","","","","","","","","","","","","","","","","(6As,13aS)-6a,8,13-trimethyl-N-propyl-5,7,8,13a-tetrahydroquinolino[4,3-b][1]benzazepin-6-imine;hydrochloride","","CCCN=C1C2(CC(C3=CC=CC=C3N(C2C4=CC=CC=C4N1)C)C)C.Cl","ULQJIQVMOHVNJI-DWODVSLYSA-N","135509164",NA,"PDBC05919","664568","Present"
-"(6As,13aS)-6a,8-dimethyl-7,8,13,13a-tetrahydro-5H-quinolino[4,3-b][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","(6As,13aS)-6a,8-dimethyl-5,6a,7,8,13,13a-hexahydro-6H-quino[4,3-b][1]benzazepin-6-one","","CC1CC2(C(C3=CC=CC=C3NC2=O)NC4=CC=CC=C14)C","BVVBQIPPMQZRLK-AYCODJOZSA-N","379697",NA,"PDBC05920","664570","Present"
-"(6As,13aS)-6a,8-dimethyl-7,8,13,13a-tetrahydro-5H-quinolino[4,3-b][1]benzazepine-6-thione","","","","","","","","","","","","","","","","","","","","(6As,13aS)-6a,8-dimethyl-7,8,13,13a-tetrahydro-5H-quinolino[4,3-b][1]benzazepine-6-thione","","CC1CC2(C(C3=CC=CC=C3NC2=S)NC4=CC=CC=C14)C","GIOXOKCOEIYGEN-AYCODJOZSA-N","5468128",NA,"PDBC05921","664571","Present"
-"(6As,8R)-3,8-dihydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione","","","","","","","","","","","","","","","","","","","","(6As,8R)-3,8-dihydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione","","COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C(=O)N2)O)O","HDTAXVHSWJJNJJ-MUWHJKNJSA-N","396541",NA,"PDBC05922","703011","Present"
-"(6As,8R)-6-hydroxy-8-(methoxymethoxy)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(6As,8R)-6-hydroxy-8-(methoxymethoxy)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","COCOC1CC2C(NC3=CC=CC=C3C(=O)N2C1)O","RSHHAARCKBZSMZ-QDIMTWPYSA-N","396778",NA,"PDBC05923","703557","Present"
-"(6Br)-6-[3-(Trifluoromethyl)phenyl]-6balpha-pyrrolizino-6b,7,8,9,10,10aalpha-hexahydrobenzo[3,4]cyclobuta[1,2-c]quinoline","","","","","","","","","","","","","","","","","","","","(11R,16S)-11-Pyrrolidin-1-yl-9-[3-(trifluoromethyl)phenyl]-8-azatetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8-pentaene","","C1CCC2(C(C1)C3=C2C(=NC4=CC=CC=C43)C5=CC(=CC=C5)C(F)(F)F)N6CCCC6","FWVXULDERGEZOZ-NBGIEHNGSA-N","403530",NA,"PDBC05924","718546","Present"
-"(6E)-10,11-Dihydroxy-6,10-dimethyl-3-methylidene-3a,4,8,9,11,11a-hexahydro-1H-cyclopenta[10]annulene-2,5-dione","","","","","","","","","","","","","","","","","","","","(6E)-10,11-Dihydroxy-6,10-dimethyl-3-methylidene-3a,4,8,9,11,11a-hexahydro-1H-cyclopenta[10]annulene-2,5-dione","","CC1=CCCC(C(C2CC(=O)C(=C)C2CC1=O)O)(C)O","WMEUFJZUIJWGOO-WEVVVXLNSA-N","5470595",NA,"PDBC05925","703216","Present"
-"(6E)-10-Hydroxy-6,10-dimethyl-3-methylidene-1,3a,4,8,9,11a-hexahydrocyclopenta[10]annulene-2,5,11-trione","","","","","","","","","","","","","","","","","","","","(6E)-10-Hydroxy-6,10-dimethyl-3-methylidene-1,3a,4,8,9,11a-hexahydrocyclopenta[10]annulene-2,5,11-trione","","CC1=CCCC(C(=O)C2CC(=O)C(=C)C2CC1=O)(C)O","NGDGGQBNWUIJEF-WEVVVXLNSA-N","5470594",NA,"PDBC05926","703215","Present"
-"(6E)-2-[2,3-Dihydro-1,4-benzodioxin-6-yl-(hydroxyamino)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)cyclohexanone oxime","","","","","","","","","","","","","","","","","","","","N-[2,3-Dihydro-1,4-benzodioxin-6-yl-[(2Z,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-hydroxyiminocyclohexyl]methyl]hydroxylamine","","C1CC(C(=NO)C(=CC2=CC3=C(C=C2)OCCO3)C1)C(C4=CC5=C(C=C4)OCCO5)NO","ZADFIWXFBWJWOZ-ORRIPVBESA-N","5928846",NA,"PDBC05927","636681","Present"
-"(6E)-5-Methyl-2-phenyl-5H-1,3,6,2-benzodioxazaboronin-4-one","","","","","","","","","","","","","","","","","","","","(6E)-5-Methyl-2-phenyl-5H-1,3,6,2-benzodioxazaboronin-4-one","","","","",NA,"PDBC05928","678504","Present"
-"(6E)-6-(m-Tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","(6E)-6-(m-Tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one","","CC1=CC(=CC=C1)C=C2CCCC3=CC=CC=C3C2=O","XZPQTNCICNGJBL-GHRIWEEISA-N","5469391",NA,"PDBC05929","687670","Present"
-"(6E)-6-(p-Tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","(6E)-6-(p-Tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one","","CC1=CC=C(C=C1)C=C2CCCC3=CC=CC=C3C2=O","LDCMXYLIKNLZEF-GHRIWEEISA-N","1241474",NA,"PDBC05930","687669","Present"
-"(6E)-6-Amino-5,8-dihydro-4H-trithiocine-7-carbonitrile","","","","","","","","","","","","","","","","","","","","(6E)-6-Amino-5,8-dihydro-4H-trithiocine-7-carbonitrile","","C1CSSSCC(=C1N)C#N","VNJZVMWQQGJJIH-AATRIKPKSA-N","3004378",NA,"PDBC05931","649092","Present"
-"(6E)-6-Benzylidene-8,9-dihydro-7H-benzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","(6E)-6-Benzylidene-8,9-dihydro-7H-benzo[7]annulen-5-one","","C1CC2=CC=CC=C2C(=O)C(=CC3=CC=CC=C3)C1","HXWPCHWOKIESFJ-DTQAZKPQSA-N","1550522",NA,"PDBC05932","687666","Present"
-"(6E)-6-Hydrazinylidene-1,3-diazinane-2,4-dione","","","","","","","","","","","","","","","","","","","","NSC118396","","C1C(=NN)NC(=O)NC1=O","QGIANYJQIJBTRC-UHFFFAOYSA-N","135454086",NA,"PDBC05933","118396","Present"
-"(6E)-6-[(3-Nitrophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","(6E)-6-[(3-Nitrophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one","","C1CC2=CC=CC=C2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C1","XIKJYPDRSJEWLC-RVDMUPIBSA-N","5469396",NA,"PDBC05934","687675","Present"
-"(6E)-6-[(4-Chlorophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","(6E)-6-[(4-Chlorophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one","","C1CC2=CC=CC=C2C(=O)C(=CC3=CC=C(C=C3)Cl)C1","HBWKTUXEDYGARY-NTCAYCPXSA-N","5469392",NA,"PDBC05935","687671","Present"
-"(6E)-6-[(4-Nitrophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","(6E)-6-[(4-Nitrophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one","","C1CC2=CC=CC=C2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C1","CVMBKCXVNKLREA-NTCAYCPXSA-N","5469395",NA,"PDBC05936","687674","Present"
-"(6E)-6-[(5Z)-5-(6-Oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one","","","","","","","","","","","","","","","","","","","","Phenol, 2,2'-[1H-1,2,4-triazole-3,5-diyl]bis-","","C1=CC=C(C(=C1)C2=NC(=NN2)C3=CC=CC=C3O)O","HIZVPOSTRMNMOK-UHFFFAOYSA-N","389407",NA,"PDBC05937","685478","Present"
-"(6E)-6-[(8-Chloroquinolin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one","","","","","","","","","","","","","","","","","","","","(6E)-6-[(8-Chloroquinolin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one","","C1CN2CC(=O)C1CC2=CC3=C4C=CC=C(C4=NC=C3)Cl","HREIQFLOPSXSOD-MDWZMJQESA-N","6509056",NA,"PDBC05938","132868","Present"
-"(6E)-6-[[4-Hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol","","","","","","","","","","","","","","","","","","","","(6E)-6-[[4-Hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol","","C1=CC=C2C(=C1)C(=CC3=C(N=C(N3)NN=CC(C(C(C(CO)O)O)O)O)O)C=N2","JUXINMJFZLZPTC-FZYLNTISSA-N","135505208",NA,"PDBC05939","704861","Present"
-"(6E,12R)-1,3-Dimethoxy-12-methyl-5,8,9,10,11,12-hexahydro-14H-13-oxabenzocyclododecen-14-one","","","","","","","","","","","","","","","","","","","","(6E,12R)-1,3-Dimethoxy-12-methyl-5,8,9,10,11,12-hexahydro-14H-13-oxabenzocyclododecen-14-one","","CC1CCCCC=CCC2=C(C(=CC(=C2)OC)OC)C(=O)O1","NKDRVIFCOLYUPV-STMXVASLSA-N","5470232",NA,"PDBC05940","698945","Present"
-"(6R,11Z,13S)-6-Hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one","","","","","","","","","","","","","","","","","","","","(6R,11Z,13S)-6-Hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one","","CCC(C=CCCC(=O)CC(CCC=C(C)C)O)O[Si](C(C)C)(C(C)C)C(C)C","FKLWVAQESZRPSK-BJWZYDGJSA-N","5471931",NA,"PDBC05941","715460","Present"
-"(6R,6As,12aR)-12a-hydroxy-2,3,9-trimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one","","","","","","","","","","","","","","","","","","","","(6R,6As,12aR)-12a-hydroxy-2,3,9-trimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one","","COC1=CC2=C(C=C1)C(=O)C3(C(O2)C(OC4=CC(=C(C=C43)OC)OC)OC5C(C(C(C(O5)CO)O)O)O)O","GQYHMYYXQXEGFY-QFEXWSCGSA-N","397341",NA,"PDBC05942","704944","Present"
-"(6S)-1-Azaspiro[5.5]undecane-2,10-dione","","","","","","","","","","","","","","","","","","","","NSC626481","","C1CC(=O)CC2(C1)CCCC(=O)N2","RUMOWHVGPDSMMS-JTQLQIEISA-N","362485",NA,"PDBC05943","626481","Present"
-"(6S)-4,5-Diphenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene","","","","","","","","","","","","","","","","","","","","(6S)-4,5-Diphenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene","","C1CC2C(N(N=C2C3=CC=CC=C3C1)C4=CC=CC=C4)C5=CC=CC=C5","CNSHCLQFYNQATF-LETIRJCYSA-N","374674",NA,"PDBC05944","652808","Present"
-"(6S)-4-(Benzenesulfonyl)-5-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene","","","","","","","","","","","","","","","","","","","","(6S)-4-(Benzenesulfonyl)-5-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene","","C1CC2C(N(N=C2C3=CC=CC=C3C1)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5","QDRBGPVPJMBSFD-LETIRJCYSA-N","374677",NA,"PDBC05945","652811","Present"
-"(6S,14S)-9,14-Dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-ene-4,11-dione","","","","","","","","","","","","","","","","","","","","Oxireno[2,3]azuleno[4,5-b]furan-2,7-dione, 2,3,3a,4,5,7,...","","CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C4(C(C2=O)O4)C","IQFFYNSHANWLIR-AJXLHQICSA-N","6712213",NA,"PDBC05946","659937","Present"
-"(6S,9E,13E)-8-(Benzenesulfonyl)-15-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethyl-1-trimethylsilylpentadeca-9,13-dien-1-yne-5,6-diol","","","","","","","","","","","","","","","","","","","","(6S,9E,13E)-8-(Benzenesulfonyl)-15-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethyl-1-trimethylsilylpentadeca-9,13-dien-1-yne-5,6-diol","","CC(=CC(CC(C)(C(CCC#C[Si](C)(C)C)O)O)S(=O)(=O)C1=CC=CC=C1)CCC=CCO[Si](C)(C)C(C)(C)C","WCUZPHRTMOZVOF-LJLNBTKQSA-N","5387052",NA,"PDBC05947","619986","Present"
-"(6Z)-1-Acetyl-6-[(4-chlorophenyl)methylene]-2H-imidazo[1,2-a]imidazole-3,5-dione","","","","","","","","","","","","","","","","","","","","(6Z)-1-Acetyl-6-[(4-chlorophenyl)methylene]-2H-imidazo[1,2-a]imidazole-3,5-dione","","CC(=O)N1CC(=O)N2C1=NC(=CC3=CC=C(C=C3)Cl)C2=O","XJIKSGZTDTXLLR-WDZFZDKYSA-N","5469296",NA,"PDBC05948","685412","Present"
-"(6Z)-1-Benzyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(6Z)-1-Benzyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione","","CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2)CC4=CC=CC=C4)OC","NTTOFKKRFBUAGI-MYYYXRDXSA-N","5387225",NA,"PDBC05949","622067","Present"
-"(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-ol","","","","","","","","","","","","","","","","","","","","(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-ol","","C1C#CC=CC(C#CCS1)O","GKHKXMZLELCPJA-DJWKRKHSSA-N","5468277",NA,"PDBC05950","667276","Present"
-"(6Z)-1-[(4-Methoxyphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(6Z)-1-[(4-Methoxyphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione","","CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2)CC4=CC=C(C=C4)OC)OC","MHRYIBXTWPBOMT-YSMPRRRNSA-N","5387226",NA,"PDBC05951","622068","Present"
-"(6Z)-2,2-Dimethyl-3,4-dihydro-6-(4-methylphenylimino)-2H-naphtho[1,2-b]pyran-5-one","","","","","","","","","","","","","","","","","","","","6-(4-Methylphenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one","","CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=C(C2=O)CCC(O4)(C)C","LOLQUHPYGGOUDO-UHFFFAOYSA-N","396837",NA,"PDBC05952","703855","Present"
-"(6Z)-2,2-Dimethyl-3,4-dihydro-6-(4-nitrophenylimino)-2H-naphtho[1,2-b]pyran-5-one","","","","","","","","","","","","","","","","","","","","6-(4-Nitrophenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one","","CC1(CCC2=C(O1)C3=CC=CC=C3C(=NC4=CC=C(C=C4)[N+](=O)[O-])C2=O)C","HBTNQWSZSVKENK-UHFFFAOYSA-N","396839",NA,"PDBC05953","703857","Present"
-"(6Z)-3-(2-Furyl)-6-[(2-nitrophenyl)methylene]thiazolo[2,3-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-3-(2-Furyl)-6-[(2-nitrophenyl)methylene]thiazolo[2,3-c][1,2,4]triazol-5-one","","C1=CC=C(C(=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CC=CO4)[N+](=O)[O-]","NPLIICNZFUOSIV-WQLSENKSSA-N","6477127",NA,"PDBC05954","637636","Present"
-"(6Z)-3-(3-Nitrophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one;chloride","","","","","","","","","","","","","","","","","","","","Thiazolo[2,3-b]thiazolium, 2,3-dihydro- 2-[(4-nitropheny...","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])S3.[Cl-]","VLOBDNMAHLKTOI-SQIOZQJDSA-M","5351414",NA,"PDBC05955","657598","Present"
-"(6Z)-3-Amino-1-benzyl-6-(2-furylmethylene)imidazo[1,2-a]imidazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-3-Amino-1-benzyl-6-(2-furylmethylene)imidazo[1,2-a]imidazol-5-one","","C1=CC=C(C=C1)CN2C=C(N3C2=NC(=CC4=CC=CO4)C3=O)N","WFEULCXHACBZTL-ZROIWOOFSA-N","5918308",NA,"PDBC05956","686432","Present"
-"(6Z)-3-Amino-1-benzyl-6-[(4-methoxyphenyl)methylene]imidazo[1,2-a]imidazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-3-Amino-1-benzyl-6-[(4-methoxyphenyl)methylene]imidazo[1,2-a]imidazol-5-one","","COC1=CC=C(C=C1)C=C2C(=O)N3C(=CN(C3=N2)CC4=CC=CC=C4)N","FPQWKYGXKXAEBA-BOPFTXTBSA-N","5918307",NA,"PDBC05957","686431","Present"
-"(6Z)-3-Amino-1-benzyl-6-benzylidene-imidazo[1,2-a]imidazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-3-Amino-1-benzyl-6-benzylidene-imidazo[1,2-a]imidazol-5-one","","C1=CC=C(C=C1)CN2C=C(N3C2=NC(=CC4=CC=CC=C4)C3=O)N","QXAUSNHBKJVORY-WJDWOHSUSA-N","5918309",NA,"PDBC05958","686433","Present"
-"(6Z)-3-Amino-6-(2-furylmethylene)-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-3-Amino-6-(2-furylmethylene)-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one","","C1=COC(=C1)C=C2C(=O)N3C(=CN(C3=N2)CCCO)N","DZKBKLZBLACZNY-YFHOEESVSA-N","6475565",NA,"PDBC05959","686435","Present"
-"(6Z)-3-Amino-6-[(2-hydroxyphenyl)methylene]-5-oxo-imidazo[2,1-b]thiazole-2-carbonitrile","","","","","","","","","","","","","","","","","","","","(6Z)-3-Amino-6-[(2-hydroxyphenyl)methylene]-5-oxo-imidazo[2,1-b]thiazole-2-carbonitrile","","C1=CC(=CC2=C(N3C(=C(SC3=N2)C#N)N)O)C(=O)C=C1","APYSOOSMIUKATO-ALCCZGGFSA-N","135505115",NA,"PDBC05960","684381","Present"
-"(6Z)-3-Amino-6-benzylidene-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-3-Amino-6-benzylidene-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one","","C1=CC=C(C=C1)C=C2C(=O)N3C(=CN(C3=N2)CCCO)N","KVTGJEQVBVDSGC-XFXZXTDPSA-N","5916940",NA,"PDBC05961","686434","Present"
-"(6Z)-3-Benzyl-6-[(4-dimethylaminophenyl)methylene]thiazolo[2,3-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-3-Benzyl-6-[(4-dimethylaminophenyl)methylene]thiazolo[2,3-c][1,2,4]triazol-5-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)CC4=CC=CC=C4","NTCDRAWSLHNGLG-ATVHPVEESA-N","5786806",NA,"PDBC05962","637639","Present"
-"(6Z)-3-Phenyl-6-(p-tolylmethylene)thiazolo[2,3-b]thiazol-4-ium-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-3-Phenyl-6-(p-tolylmethylene)thiazolo[2,3-b]thiazol-4-ium-5-one","","CC1=CC=C(C=C1)C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC=CC=C4","LLDSFSVXWQFHFS-BOPFTXTBSA-N","5478629",NA,"PDBC05963","657718","Present"
-"(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-(2-furyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-(2-furyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N4C(=NN=C4S3)C5=CC=CO5","HTWRBHOQZOJEDI-QPEQYQDCSA-N","5893388",NA,"PDBC05964","637612","Present"
-"(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-(m-tolyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-(m-tolyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","CC1=CC(=CC=C1)C2=NN=C3N2C(=O)C(=CC4=CC5=C(C=C4)OCO5)S3","AIJUKDGKIIOXRC-SXGWCWSVSA-N","5932733",NA,"PDBC05965","637615","Present"
-"(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-benzyl-thiazolo[2,3-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-benzyl-thiazolo[2,3-c][1,2,4]triazol-5-one","","C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N4C(=NN=C4S3)CC5=CC=CC=C5","SMKFKRCSRCEISJ-SXGWCWSVSA-N","5915794",NA,"PDBC05966","637608","Present"
-"(6Z)-6-(2-Furylmethylene)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-(2-Furylmethylene)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one","","C1=COC(=C1)C=C2C(=N)N3C(=NC2=O)SC=N3","MMHFYPMTJVTSIU-URBZRCENSA-N","890655",NA,"PDBC05967","677205","Present"
-"(6Z)-6-(2-Phenylhydrazinylidene)chrysen-5(6H)-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-(2-Phenylhydrazinylidene)chrysen-5(6H)-one","","C1=CC=C(C=C1)N=NC2=C(C3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)O","FPYVIHBFSAEKPV-UHFFFAOYSA-N","345279",NA,"PDBC05968","402787","Present"
-"(6Z)-6-Hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-Hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one","","C1CCC2(C1)C(=NO)C3(CCCC3)NC2=O","GUYVWOZQZLLUDM-ZROIWOOFSA-N","6516263",NA,"PDBC05969","629129","Present"
-"(6Z)-6-[(2-Nitrophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-[(2-Nitrophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","C1=CC=C(C(=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CN=CC=C4)[N+](=O)[O-]","FSRJYDVLVFHNDO-JYRVWZFOSA-N","5388226",NA,"PDBC05970","633925","Present"
-"(6Z)-6-[(3,4,5-Trimethoxyphenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-[(3,4,5-Trimethoxyphenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one","","COC1=CC(=CC(=C1OC)OC)C=C2CCCC3=CC=CC=C3C2=O","ULNALHGZYSDIFI-WJDWOHSUSA-N","5469698",NA,"PDBC05971","691564","Present"
-"(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(2-furyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(2-furyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CC=CO4","SBFKMLLYWBKTBA-UVTDQMKNSA-N","6078988",NA,"PDBC05972","637634","Present"
-"(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CN=CC=C4","POSSXXCOJXDJMD-GDNBJRDFSA-N","852536",NA,"PDBC05973","637613","Present"
-"(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(m-tolyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(m-tolyl)thiazolo[2,3-c][1,2,4]triazol-5-one","","CC1=CC(=CC=C1)C2=NN=C3N2C(=O)C(=CC4=CC=C(C=C4)N(C)C)S3","SAYBWVRSIYUUSO-ATVHPVEESA-N","5816608",NA,"PDBC05974","637596","Present"
-"(7,12,13,14-Tetraacetyloxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl) acetate","","","","","","","","","","","","","","","","","","","","(7,12,13,14-Tetraacetyloxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl) acetate","","CC(=O)OC1=C(C2=C3C(=C1)C(=O)OC4=C(C(=C(C(=C34)C(=O)O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","QLHRNXMRTLKUDR-UHFFFAOYSA-N","333594",NA,"PDBC05975","335995","Present"
-"(7,7-Diethoxy-3-((((4-methylphenyl)sulfonyl)oxy)methyl)bicyclo[2.2.1]hept-5-en-2-yl)methyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[7,7-Diethoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl 4-methylbenzenesulfonate","","CCOC1(C2C=CC1C(C2COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C)OCC","PYDRXDVEZHSWRX-UHFFFAOYSA-N","384299",NA,"PDBC05976","673916","Present"
-"(7,7-Dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;N-(1-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine","","","","","","","","","","","","","","","","","","","","(7,7-Dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;N-(1-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine","","CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.CN1C(CC(=NO)CC1C2=CC=CC=C2)C3=CC=CC=C3","IULVGBAEZJLGBY-UHFFFAOYSA-N","435046",NA,"PDBC05977","363744","Present"
-"(7,8-Dichloro-2-((((cyclohexylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl cyclohexylcarbamate","","","","","","","","","","","","","","","","","","","","[7,8-Dichloro-2-(cyclohexylcarbamoyloxymethyl)-1-methylbenzo[g]indol-3-yl]methyl N-cyclohexylcarbamate","","CN1C(=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)COC(=O)NC4CCCCC4)COC(=O)NC5CCCCC5","WGGOGXHAFCCSHN-UHFFFAOYSA-N","388468",NA,"PDBC05978","683404","Present"
-"(7,8-Dichloro-2-((((isopropylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl isopropylcarbamate","","","","","","","","","","","","","","","","","","","","[7,8-Dichloro-1-methyl-2-(propan-2-ylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate","","CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=CC(=C(C=C32)Cl)Cl)C)COC(=O)NC(C)C","BUNVZMNEQBXYOM-UHFFFAOYSA-N","388463",NA,"PDBC05979","683399","Present"
-"(7-((1,3-Benzodioxol-5-ylmethylene)amino)-9H-fluoren-2-yl)(hydroxy)azane oxide","","","","","","","","","","","","","","","","","","","","(7-((1,3-Benzodioxol-5-ylmethylene)amino)-9H-fluoren-2-yl)(hydroxy)azane oxide","","C1C2=C(C=CC(=C2)N=CC3=CC4=C(C=C3)OCO4)C5=C1C=C(C=C5)[N+](=O)[O-]","WYFFTUUXAVQKJF-UHFFFAOYSA-N","274945",NA,"PDBC05980","121304","Present"
-"(7-(Dimethylamino)-3H-phenoxazin-3-ylidene)dimethylammonium chloride","","","","","","","","","","","","","","","","","","","","LS-17699","","CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3O2.[Cl-]","SIZBKKAUPNRYKZ-UHFFFAOYSA-M","209687",NA,"PDBC05981","409417","Present"
-"(7-Arsonophenazin-2-yl)arsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-35682","","C1=CC2=C(C=C1[As](=O)(O)O)N=C3C=CC(=CC3=N2)[As](=O)(O)O","PILIXWMETGYBEO-UHFFFAOYSA-N","234890",NA,"PDBC05982","35682","Present"
-"(7-Benzyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(7-Benzyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetic acid","","C1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3CC(=O)O","GXMSXYTXUUJERF-UHFFFAOYSA-N","367812",NA,"PDBC05983","637877","Present"
-"(7-Chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxylic acid 2-methyl-8-quinolyl)4,4-dioxide","","","","","","","","","","","","","","","","","","","","(2-Methylquinolin-8-yl) 8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxylate","","CC1=NC2=C(C=CC=C2OC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O)C=C1","PBLMHZGUFVOFID-UHFFFAOYSA-N","397032",NA,"PDBC05984","704314","Present"
-"(7-Chloro-1-oxy-3-trifluoromethyl-quinoxalin-2-yl)-furan-2-yl-methanone","","","","","","","","","","","","","","","","","","","","(7-Chloro-1-oxy-3-trifluoromethyl-quinoxalin-2-yl)-furan...","","C1=COC(=C1)C(=O)C2=[N+](C3=C(C=CC(=C3)Cl)N=C2C(F)(F)F)[O-]","AAESIUWKQAMLGA-UHFFFAOYSA-N","54612672",NA,"PDBC05985","741432","Present"
-"(7-Chloro-4-hydroxy-5-oxo-thieno[3,2-b]xanthen-11-yl) acetate","","","","","","","","","","","","","","","","","","","","(7-Chloro-4-hydroxy-5-oxo-thieno[3,2-b]xanthen-11-yl) acetate","","CC(=O)OC1=C2C(=C(C3=C1OC4=C(C3=O)C=C(C=C4)Cl)O)C=CS2","BZLVRSJMEKBCTK-UHFFFAOYSA-N","5466315",NA,"PDBC05986","685032","Present"
-"(7-Diphenylphosphoryl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)methyl-triethyl-$l^{4}-sulfane","","","","","","","","","","","","","","","","","","","","(7-Diphenylphosphoryl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)methyl-triethyl-$l^{4}-sulfane","","CCS(CC)(CC)CC1CCCC2=CCC(CC12)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","QSMSZCUPJSORMZ-UHFFFAOYSA-N","364910",NA,"PDBC05987","631798","Present"
-"(7-Fluoro-4-oxy-3-trifluoromethyl-quinoxalin-2-yl)-furan-2-yl-methanone","","","","","","","","","","","","","","","","","","","","(7-Fluoro-4-oxy-3-trifluoromethyl-quinoxalin-2-yl)-furan...","","C1=COC(=C1)C(=O)C2=NC3=C(C=CC(=C3)F)[N+](=C2C(F)(F)F)[O-]","ZOYGABOUBNFVHT-UHFFFAOYSA-N","54612701",NA,"PDBC05988","741430","Present"
-"(7-Fluoro-4-oxy-3-trufluoromethyl-quinoxalin-2-yl)-naphthalen-2-yl-methanone","","","","","","","","","","","","","","","","","","","","(7-fluoro-4-oxy-3-trufluoromethyl-quinoxalin-2-yl)-napht...","","C1=CC=C2C=C(C=CC2=C1)C(=O)C3=NC4=C(C=CC(=C4)F)[N+](=C3C(F)(F)F)[O-]","CYCAZWZDRQJQNK-UHFFFAOYSA-N","54612673",NA,"PDBC05989","741434","Present"
-"(7-Isopropoxy-5-oxo-thiazolo[3,2-a]pyridin-8-yl) acetate","","","","","","","","","","","","","","","","","","","","8-Acetoxy-7-isopropoxy-5H-thiazolo[3,2-a]pyridine-5-one","","CC(C)OC1=CC(=O)N2C=CSC2=C1OC(=O)C","HOVNHUWTSKQDOC-UHFFFAOYSA-N","389265",NA,"PDBC05990","685018","Present"
-"(7-Methoxy-1,2,3-benzodithiazol-4-ylidene)-methyloxidanium;chloride","","","","","","","","","","","","","","","","","","","","(7-Methoxy-1,2,3-benzodithiazol-4-ylidene)-methyloxidanium;chloride","","COC1=C2C(=NSS2)C(=[O+]C)C=C1.[Cl-]","DJDLHKIFHRAYGU-UHFFFAOYSA-M","359780",NA,"PDBC05991","621346","Present"
-"(7-Methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone","","CC1C2=C(CCN1C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]","ASBZUCQMVJQGRJ-UHFFFAOYSA-N","363622",NA,"PDBC05992","628651","Present"
-"(7-Methoxy-1-naphthyl)(7-methyl-2,3-dihydro-1H-inden-4-yl)methanone","","","","","","","","","","","","","","","","","","","","(7-Methoxy-1-naphthyl)(7-methyl-2,3-dihydro-1H-inden-4-yl)methanone","","CC1=C2CCCC2=C(C=C1)C(=O)C3=CC=CC4=C3C=C(C=C4)OC","XCBMIRIEAPUDNC-UHFFFAOYSA-N","362066",NA,"PDBC05993","625588","Present"
-"(7-Methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidoazanium","","","","","","","","","","","","","","","","","","","","(7-Methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidoazanium","","COC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N=[N+](C4=CC5=C(C=C4)C6=C(C5)C=C(C=C6)OC)[O-]","RRRRLIBKNAGCTJ-UHFFFAOYSA-N","280491",NA,"PDBC05994","132230","Present"
-"(7-Methyl-3,5,9-trioxo-4,8-diphenyl-10-oxa-4,8-diazatricyclo[5.2.1.02,6]decan-1-yl) acetate","","","","","","","","","","","","","","","","","","","","(7-Methyl-3,5,9-trioxo-4,8-diphenyl-10-oxa-4,8-diazatricyclo[5.2.1.02,6]decan-1-yl) acetate","","CC(=O)OC12C3C(C(=O)N(C3=O)C4=CC=CC=C4)C(O1)(N(C2=O)C5=CC=CC=C5)C","GJQTXKBMFJUNKW-UHFFFAOYSA-N","397440",NA,"PDBC05995","705298","Present"
-"(7-Methyl-6-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate","","","","","","","","","","","","","","","","","","","","7-Methyl-6-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidaz...","","CC1=CC2=C(C=C1[N+](=O)[O-])N=C3N2CCC3OC(=O)C","DEXLKNONEAEPLD-UHFFFAOYSA-N","389492",NA,"PDBC05996","685715","Present"
-"(7Ar)-1,6-bis(4-methoxyphenyl)-7a-phenyl-5,7-dihydroimidazo[1,5-b][1,2,4]oxadiazol-2-one","","","","","","","","","","","","","","","","","","","","(7Ar)-1,6-bis(4-methoxyphenyl)-7a-phenyltetrahydroimidazo[1,5-b][1,2,4]oxadiazol-2(1h)-one","","COC1=CC=C(C=C1)N2CC3(N(C2)OC(=O)N3C4=CC=C(C=C4)OC)C5=CC=CC=C5","SDGLPUMPHYFLKC-XMMPIXPASA-N","402882",NA,"PDBC05997","717189","Present"
-"(7Ar)-1,7abeta-Diphenyl-6-p-tolyltetrahydroimidazo[1,5-b][1,2,4]oxadiazol-2(1H)-one","","","","","","","","","","","","","","","","","","","","(7Ar)-6-(4-methylphenyl)-1,7a-diphenyltetrahydroimidazo[1,5-b][1,2,4]oxadiazol-2(1h)-one","","CC1=CC=C(C=C1)N2CC3(N(C2)OC(=O)N3C4=CC=CC=C4)C5=CC=CC=C5","STWMQDGFMHHRAL-HSZRJFAPSA-N","402881",NA,"PDBC05998","717188","Present"
-"(7Ar)-7,9-dimethoxy-3-(thiophen-2-ylmethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","(7Ar)-7,9-dimethoxy-3-(thiophen-2-ylmethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(E)-but-2-enedioic acid","","COC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3CC6=CC=CS6.C(=CC(=O)O)C(=O)O","ANKLCZMOFXTONM-RSBMXMACSA-N","5471115",NA,"PDBC05999","708845","Present"
-"(7As)-2-methyl-3-prop-2-enyl-1,6,7,7a-tetrahydroinden-5-one","","","","","","","","","","","","","","","","","","","","(7As)-2-methyl-3-prop-2-enyl-1,6,7,7a-tetrahydroinden-5-one","","CC1=C(C2=CC(=O)CCC2C1)CC=C","HCGMOUUTCMZXFP-JTQLQIEISA-N","359292",NA,"PDBC06000","620036","Present"
-"(7E)-2,5-Dimethyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","","","","","","","","","","","","","","","","","","","(7E)-2,5-Dimethyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","CN1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C)C4=CC=CS4","IGQWEABOPCBVFJ-FMIVXFBMSA-N","5470920",NA,"PDBC06001","706217","Present"
-"(7E)-2-Phenyl-5,6-dihydro-1,3,7,2-benzodioxazaborecin-4-one","","","","","","","","","","","","","","","","","","","","(7E)-2-Phenyl-5,6-dihydro-1,3,7,2-benzodioxazaborecin-4-one","","","","",NA,"PDBC06002","678506","Present"
-"(7E)-3-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylene]-4-methyl-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole","","","","","","","","","","","","","","","","","","","","(7E)-3-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole","","CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C3=NN(C(C13)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5","ZKOZLCONQCFUCC-OQKWZONESA-N","5829940",NA,"PDBC06003","690752","Present"
-"(7E)-3-(4-Chlorophenyl)-7-[(4-chlorophenyl)methylidene]-5-ethyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","","","","","","","","","","","","","","","","","","","(7E)-3-(4-Chlorophenyl)-7-[(4-chlorophenyl)methylidene]-5-ethyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","CCN1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C4=CC=CC=C4)C5=CC=C(C=C5)Cl","FZTNUZOREMAQPD-LTGZKZEYSA-N","5470865",NA,"PDBC06004","706009","Present"
-"(7E)-3-(4-Chlorophenyl)-7-[(4-methoxyphenyl)methylene]-3,4-dihydro-2H-thiazolo[3,2-b][1,2,4,5]tetrazin-6-one","","","","","","","","","","","","","","","","","","","","3-(4-Chloro-phenyl)-7-(4-methoxy-benzylidene)-3,4-dihydro-2H-thiazolo[3,2-b][1,2,4,5]tetrazin-6-one","","COC1=CC=C(C=C1)C=C2C(=O)N3C(=NNC(N3)C4=CC=C(C=C4)Cl)S2","TXIYTMOAUMODBG-XNTDXEJSSA-N","5387457",NA,"PDBC06005","623789","Present"
-"(7E)-3-(4-Methoxyphenyl)-7-[(4-methoxyphenyl)methylene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","","","","","","","","","","","","","","","","","","","(7E)-3-(4-Methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","CN1CC2C(N(N=C2C(=CC3=CC=C(C=C3)OC)C1)C4=CC=CC=C4)C5=CC=C(C=C5)OC","ZGZNFZMNAFLLAL-OQKWZONESA-N","5470906",NA,"PDBC06006","706202","Present"
-"(7E)-5-Ethyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","","","","","","","","","","","","","","","","","","","(7E)-5-Ethyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","CCN1CC2C(N(N=C2C(=CC3=CC(=C(C(=C3)OC)OC)OC)C1)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC","DCZQYXXNARKPSE-OEAKJJBVSA-N","5470866",NA,"PDBC06007","706010","Present"
-"(7E)-5-Methyl-2-phenyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","","","","","","","","","","","","","","","","","","","(7E)-5-Methyl-2-phenyl-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","CN1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C4=CC=CC=C4)C5=CC=CS5","CXSQILIHTWRLFQ-DTQAZKPQSA-N","5470914",NA,"PDBC06008","706211","Present"
-"(7E)-5-Methyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole","","","","","","","","","","","","","","","","","","","","(7E)-5-Methyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole","","CC1CC2C(N(N=C2C(=CC3=CC(=C(C(=C3)OC)OC)OC)C1)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC","OORKEQDKCJRCLO-PXLXIMEGSA-N","24205932",NA,"PDBC06009","737352","Present"
-"(7E)-5-Methyl-2-phenyl-3-(p-tolyl)-7-(p-tolylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","","","","","","","","","","","","","","","","","","","(7E)-5-Methyl-2-phenyl-3-(p-tolyl)-7-(p-tolylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine","","CC1=CC=C(C=C1)C=C2CN(CC3C2=NN(C3C4=CC=C(C=C4)C)C5=CC=CC=C5)C","LESIUXAPNLUCAI-JJIBRWJFSA-N","5470910",NA,"PDBC06010","706206","Present"
-"(7E)-7-Hydroxyimino-9,11-diiodo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-4-one","","","","","","","","","","","","","","","","","","","","(7E)-7-Hydroxyimino-9,11-diiodo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-4-one","","C12C(C(=NO)C3=C(SC(=C31)I)I)OC(=O)N2","LIGJNTULHSOOPS-UUILKARUSA-N","9571630",NA,"PDBC06011","691896","Present"
-"(7E,7Ar)-3-(cyclopropylmethyl)-7-methoxyimino-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol","","","","","","","","","","","","","","","","","","","","(7E,7Ar)-3-(cyclopropylmethyl)-7-methoxyimino-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol","","CON=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O","VWOIFQZBOVNOIX-TVESCFJFSA-N","9572217",NA,"PDBC06012","707479","Present"
-"(7H-Pyrido[4,3-c]carbazol-6-yl)methyl methylcarbamate","","","","","","","","","","","","","","","","","","","","7h-pyrido[4,3-c]carbazole-6-methanol,methylcarbamate (es...","","CNC(=O)OCC1=C2C(=C3C=NC=CC3=C1)C4=CC=CC=C4N2","PJIHPQGCZPTWGM-UHFFFAOYSA-N","364733",NA,"PDBC06013","631391","Present"
-"(7R,8R)-Agi-B4","","","","","","","","","","","","","","","","","","","","(7R,8R)-Agi-B4","","COC(=O)C1C(C=CC2=C1C(=O)C3=C(C=C(C=C3O2)CO)O)O","MPAKYMOQGZITTQ-OQPBUACISA-N","5472392",NA,"PDBC06014","718342","Present"
-"(7S,7As)-7-phenyl-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione","","","","","","","","","","","","","","","","","","","","(7S,7As)-7-phenyl-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione","","C1CC2C(C3=C(C4=CC=CC=C4NC3=O)C(=O)N2C1)C5=CC=CC=C5","HRHXFCOEVBTIKE-DLBZAZTESA-N","60147810",NA,"PDBC06015","752460","Present"
-"(7S,9S)-7-[(4-Amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione","","","","","","","","","","","","","","","","","","","","Adriamycin deriv., mixt. with hydroxyethyl starch (cross...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O","AOJJSUZBOXZQNB-SNFLSGHGSA-N","32875",NA,"PDBC06016","307241","Present"
-"(7Z)-3-[(2-Chlorophenoxy)methyl]-7-[(4-chlorophenyl)methylene]-6-(2,4-dichloro-5-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-3-[(2-Chlorophenoxy)methyl]-7-[(4-chlorophenyl)methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","C1=CC=C(C(=C1)OCC2=NN=C3N2N=C(C(=CC4=CC=C(C=C4)Cl)S3)C5=CC(=C(C=C5Cl)Cl)F)Cl","PDEXNIXMYIVYDO-NKVSQWTQSA-N","5471719",NA,"PDBC06017","713310","Present"
-"(7Z)-3-[(4-Chloro-3-methyl-phenoxy)methyl]-7-[(4-chlorophenyl)methylene]-6-(2,4-dichloro-5-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-3-[(4-Chloro-3-methylphenoxy)methyl]-7-[(4-chlorophenyl)methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=C(C=CC(=C1)OCC2=NN=C3N2N=C(C(=CC4=CC=C(C=C4)Cl)S3)C5=CC(=C(C=C5Cl)Cl)F)Cl","IUHDNAPVHKTPKI-AFPJDJCSSA-N","5471721",NA,"PDBC06018","713312","Present"
-"(7Z)-3-[(4-Chloro-3-methylphenoxy)methyl]-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-3-[(4-Chloro-3-methylphenoxy)methyl]-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=C(C=CC(=C1)OCC2=NN=C3N2N=C(C(=CC4=CC=C(O4)C5=CC=C(C=C5)Cl)S3)C6=CC(=C(C=C6Cl)Cl)F)Cl","UNAKLLHMFWNQSS-RAWMCFOBSA-N","5472468",NA,"PDBC06019","719149","Present"
-"(7Z)-5-Ethylsulfanyl-7-(2-furylmethylene)imidazo[5,1-c][1,2,4]triazole","","","","","","","","","","","","","","","","","","","","(7Z)-5-Ethylsulfanyl-7-(2-furylmethylene)imidazo[5,1-c][1,2,4]triazole","","CCSC1=NC(=CC2=CC=CO2)C3=NN=CN31","LVCDRAQQNKUJGR-TWGQIWQCSA-N","5469747",NA,"PDBC06020","691985","Present"
-"(7Z)-5-Ethylsulfanyl-7-(2-furylmethylene)imidazo[5,1-e]tetrazole","","","","","","","","","","","","","","","","","","","","(7Z)-5-Ethylsulfanyl-7-(2-furylmethylene)imidazo[5,1-e]tetrazole","","CCSC1=NC(=CC2=CC=CO2)C3=NN=NN31","IUIOFMGSZAWCEO-VURMDHGXSA-N","5469750",NA,"PDBC06021","691991","Present"
-"(7Z)-6-(2,4-Dichloro-5-fluorophenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-6-(2,4-Dichloro-5-fluorophenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=NN=C2N1N=C(C(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])S2)C5=CC(=C(C=C5Cl)Cl)F","RSKMBCVJJTXKLP-ZBKNUEDVSA-N","5471360",NA,"PDBC06022","710781","Present"
-"(7Z)-6-(4-Methoxyphenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-6-(4-Methoxyphenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=NN=C2N1N=C(C(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])S2)C5=CC=C(C=C5)OC","AVYHEOSFYGSIEJ-BKUYFWCQSA-N","5471358",NA,"PDBC06023","710779","Present"
-"(7Z)-6-(4-Methoxyphenyl)-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-6-(4-Methoxyphenyl)-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2=CC4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6","JEZXJZZFEYBKRX-UQQQWYQISA-N","5471361",NA,"PDBC06024","710782","Present"
-"(7Z)-7-Benzylideneazepan-2-one","","","","","","","","","","","","","","","","","","","","NSC629642","","C1CCC(=O)NC(=CC2=CC=CC=C2)C1","ZYPJMOWTDLAPDX-BENRWUELSA-N","5387910",NA,"PDBC06025","629642","Present"
-"(7Z)-7-[(4-Hydroxyphenyl)methylidene]-4'-methylspiro[2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazine-3,1'-cyclohexane]-6-one","","","","","","","","","","","","","","","","","","","","(7Z)-7-[(4-Hydroxyphenyl)methylidene]-4'-methylspiro[2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazine-3,1'-cyclohexane]-6-one","","CC1CCC2(CC1)NN=C3N(N2)C(=O)C(=CC4=CC=C(C=C4)O)S3","FLBIKYAMFOVZFI-UVTDQMKNSA-N","5387454",NA,"PDBC06026","623786","Present"
-"(7Z)-7-[[5-(2-Chloro-4-nitrophenyl)furan-2-yl]methylidene]-6-(2,4-dichlorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-7-[[5-(2-Chloro-4-nitrophenyl)furan-2-yl]methylidene]-6-(2,4-dichlorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=NN=C2N1N=C(C(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)S2)C5=C(C=C(C=C5)Cl)Cl","YLALJLHSAJOZBK-JMIUGGIZSA-N","5473360",NA,"PDBC06027","725202","Present"
-"(7Z)-7-[[5-(4-Chlorophenyl)furan-2-yl]methylidene]-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-7-[[5-(4-Chlorophenyl)furan-2-yl]methylidene]-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=NN=C2N1N=C(C(=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)S2)C5=CC=CC=C5","KYHVFGRFVXAXDT-MOSHPQCFSA-N","5471359",NA,"PDBC06028","710780","Present"
-"(7s)-7-Hydroxy-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5h-benzo [a]heptalen-9-one","","","","","","","","","","","","","","","","","","","","(7s)-7-Hydroxy-1,2,3-trimethoxy-10-(methylsulfanyl)-6,7-dihydrobenzo[a]heptalen-9(5h)-one","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)O)OC)OC","JHFPQOLAHRTDAC-AWEZNQCLSA-N","391584",NA,"PDBC06029","691039","Present"
-"(8,9-Dimethyl-2-oxo-3-phenyl-5H-pyrano[3,2-c]chromen-5-yl) acetate","","","","","","","","","","","","","","","","","","","","(8,9-Dimethyl-2-oxo-3-phenyl-5H-pyrano[3,2-c]chromen-5-yl) acetate","","CC1=CC2=C(C=C1C)OC(C3=C2OC(=O)C(=C3)C4=CC=CC=C4)OC(=O)C","FXAJWNWLWFZDIV-UHFFFAOYSA-N","45029154",NA,"PDBC06030","745523","Present"
-"(8-Allyl-2,5-dihydroxy-6-oxo-4,7-dioxabicyclo[3.2.1]octan-8-yl) acetate","","","","","","","","","","","","","","","","","","","","(8-Allyl-2,5-dihydroxy-6-oxo-4,7-dioxabicyclo[3.2.1]octan-8-yl) acetate","","CC(=O)OC1(C2C(COC1(C(=O)O2)O)O)CC=C","AAVGWAACBKBXKH-UHFFFAOYSA-N","496148",NA,"PDBC06031","680541","Present"
-"(8-Butanoyloxy-4-methyl-2-oxochromen-7-yl) butanoate","","","","","","","","","","","","","","","","","","","","(8-Butanoyloxy-4-methyl-2-oxo-chromen-7-yl) butanoate","","CCCC(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)C)OC(=O)CCC","JXGOBGICZLSIGY-UHFFFAOYSA-N","390804",NA,"PDBC06032","688802","Present"
-"(8-Chloro-3-methyl-2-quinolinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(8-Chloro-3-methyl-2-quinolinyl)(phenyl)methanone","","CC1=CC2=C(C(=CC=C2)Cl)N=C1C(=O)C3=CC=CC=C3","CPSJTMFERSFMLK-UHFFFAOYSA-N","370208",NA,"PDBC06033","642952","Present"
-"(8-Hydroxy-2-quinolinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(8-Hydroxy-2-quinolinyl)(phenyl)methanone","","C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC=C3O)C=C2","VAFYGDVFWDZPGU-UHFFFAOYSA-N","370206",NA,"PDBC06034","642950","Present"
-"(8-Methoxy-2-quinolinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(8-Methoxy-2-quinolinyl)(phenyl)methanone","","COC1=CC=CC2=C1N=C(C=C2)C(=O)C3=CC=CC=C3","KPIGQDOHAUTNFS-UHFFFAOYSA-N","370207",NA,"PDBC06035","642951","Present"
-"(8-Methoxy-3-methyl-2-quinolinyl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(8-Methoxy-3-methyl-2-quinolinyl)(phenyl)methanone","","CC1=CC2=C(C(=CC=C2)OC)N=C1C(=O)C3=CC=CC=C3","MWUDYGVZTMYVSX-UHFFFAOYSA-N","370205",NA,"PDBC06036","642949","Present"
-"(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone","","COC1=C2C3=C(CCCC3=C(O2)C(=O)C4=CC=CC=C4)C=C1","ORJJJSZKCLMUPK-UHFFFAOYSA-N","361580",NA,"PDBC06037","624761","Present"
-"(8-Methyl-2,4-dioxo-1-phenyl-3,8-diazaspiro[4.5]decan-3-yl)urea","","","","","","","","","","","","","","","","","","","","(8-Methyl-2,4-dioxo-1-phenyl-3,8-diazaspiro[4.5]decan-3-yl)urea","","CN1CCC2(CC1)C(C(=O)N(C2=O)NC(=O)N)C3=CC=CC=C3","GOUUWWGKEDNESJ-UHFFFAOYSA-N","380274",NA,"PDBC06038","665752","Present"
-"(8-Methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) N,N-dimethylcarbamate","","","","","","","","","","","","","","","","","","","","(8-Methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) N,N-dimethylcarbamate","","CN1C2CCC1C=C(C2)OC(=O)N(C)C","RTYZIDURQOZQMO-UHFFFAOYSA-N","398279",NA,"PDBC06039","707993","Present"
-"(8Abeta)-6-[(R)-2-Methylhexylidene]-8-methyl-8alpha-(benzyloxy)octahydroindolizine-7beta-ol","","","","","","","","","","","","","","","","","","","","(6E,7R,8R,8As)-8-methyl-6-[(2R)-2-methylhexylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-ol","","CCCCC(C)C=C1CN2CCCC2C(C1O)(C)OCC3=CC=CC=C3","OQYDSVGYSHAEGF-HZGJPHOCSA-N","5470307",NA,"PDBC06040","699382","Present"
-"(8Ar)-5,8a-dimethyl-1,6,7,8-tetrahydronaphthalen-2-one","","","","","","","","","","","","","","","","","","","","(8Ar)-5,8a-dimethyl-1,6,7,8-tetrahydronaphthalen-2-one","","CC1=C2C=CC(=O)CC2(CCC1)C","UMKOLZAUDGXBRU-GFCCVEGCSA-N","359286",NA,"PDBC06041","620030","Present"
-"(8As)-8a-methyl-3,4,4a,5,7,8-hexahydro-2H-naphthalene-1,6-dione","","","","","","","","","","","","","","","","","","","","(8As)-8a-methyl-3,4,4a,5,7,8-hexahydro-2H-naphthalene-1,6-dione","","CC12CCC(=O)CC1CCCC2=O","ZJSVCHHHFPMBHS-LYNSQETBSA-N","359567",NA,"PDBC06042","620558","Present"
-"(8E)-2-Amino-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylene]-5-methyl-6,7-dihydro-5H-quinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","(8E)-2-Amino-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-6,7-dihydro-5H-quinoline-3-carbonitrile","","CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C3=C1C(=C(C(=N3)N)C#N)C4=CC(=C(C=C4)OC)OC","IDUMFZXQINSGQR-XDHOZWIPSA-N","5934964",NA,"PDBC06043","690754","Present"
-"(8E)-2-Amino-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-5,7-dihydro-1,6-naphthyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","(8E)-2-Amino-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-5,7-dihydro-1,6-naphthyridine-3-carbonitrile","","CCN1CC(=CC2=CC=C(C=C2)Cl)C3=NC(=C(C(=C3C1)C4=CC=C(C=C4)Cl)C#N)N","FGSIXIIEXHCTKE-GZTJUZNOSA-N","5470870",NA,"PDBC06044","706014","Present"
-"(8E)-2-Amino-6-methyl-4-(2-thienyl)-8-(2-thienylmethylene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","(8E)-2-Amino-6-methyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile","","CN1CC(=CC2=CC=CS2)C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CS4","HICPRZRMTPGVDW-XYOKQWHBSA-N","5470916",NA,"PDBC06045","706213","Present"
-"(8E)-2-Amino-6-methyl-4-(p-tolyl)-8-(p-tolylmethylene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","(8E)-2-Amino-6-methyl-4-(4-methylphenyl)-8-[(4-methylphenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile","","CC1=CC=C(C=C1)C=C2CN(CC3=C2OC(=C(C3C4=CC=C(C=C4)C)C#N)N)C","LBPVNXBZELTUHJ-UDWIEESQSA-N","5470911",NA,"PDBC06046","706207","Present"
-"(8E)-2-Methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazoline","","","","","","","","","","","","","","","","","","","","(E)-2-methyl-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-tr...","","CC1=NC(C2=C(N1)C(=CC3=CC(=C(C(=C3)OC)OC)OC)CCC2)C4=CC(=C(C(=C4)OC)OC)OC","OOYHOXCOJZNFPY-WOJGMQOQSA-N","155814376",NA,"PDBC06047","765429","Present"
-"(8E)-4-(2,3,4-Trimethoxyphenyl)-8-[(2,3,4-trimethoxyphenyl)methylene]-4,5-dihydro-3H-thiopyrano[4,3-d]pyrimidine-2-thiol","","","","","","","","","","","","","","","","","","","","(8E)-4-(2,3,4-Trimethoxyphenyl)-8-[(2,3,4-trimethoxyphenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione","","COC1=C(C(=C(C=C1)C=C2CSCC3=C2NC(=S)NC3C4=C(C(=C(C=C4)OC)OC)OC)OC)OC","VRBDISWSXFESPU-PTNGSMBKSA-N","6280003",NA,"PDBC06048","670057","Present"
-"(8E)-4-(2-Furyl)-8-(2-furylmethylene)-6-methyl-5,7-dihydropyrido[4,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","(8E)-4-(2-Furyl)-8-(2-furylmethylene)-6-methyl-5,7-dihydropyrido[4,3-d]pyrimidin-2-amine","","CN1CC(=CC2=CC=CO2)C3=NC(=NC(=C3C1)C4=CC=CO4)N","CWKSCGLFYTXHIF-DHZHZOJOSA-N","5466911",NA,"PDBC06049","645612","Present"
-"(8E)-4-(3,4,5-Trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-amine","","","","","","","","","","","","","","","","","","","","(E)-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-trimethoxyp...","","COC1=CC(=CC(=C1OC)OC)C=C2CCCC3=C2NC(=NC3C4=CC(=C(C(=C4)OC)OC)OC)N","FKKCACGLVKDLID-MHWRWJLKSA-N","155808078",NA,"PDBC06050","763278","Present"
-"(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylene]-6-methyl-3,4,5,7-tetrahydropyrido[4,3-d]pyrimidine-2-thiol","","","","","","","","","","","","","","","","","","","","(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-methyl-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione;hydrochloride","","CN1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(NC(=S)N3)C4=CC=C(C=C4)Cl.Cl","JRRBTQWEUASORX-GYVLLFFHSA-N","5468200",NA,"PDBC06051","666040","Present"
-"(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-amine","","","","","","","","","","","","","","","","","","","","(E)-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7...","","C1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(N=C(N3)N)C4=CC=C(C=C4)Cl","YURRPQLWNIWEOJ-NTCAYCPXSA-N","13170777",NA,"PDBC06052","763275","Present"
-"(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile","","CCN1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=C(C=C4)Cl","AFARXCRPCNOSDQ-GZTJUZNOSA-N","5471221",NA,"PDBC06053","709500","Present"
-"(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione","","CCN1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(NC(=S)N3)C4=CC=C(C=C4)Cl","RXWPIGBFPHRQQY-LFIBNONCSA-N","5470867",NA,"PDBC06054","706011","Present"
-"(8E)-4-(4-Methoxyphenyl)-8-[(4-methoxyphenyl)methylene]-6-methyl-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","(8E)-4-(4-Methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione","","CN1CC2C(NC(=S)N=C2C(=CC3=CC=C(C=C3)OC)C1)C4=CC=C(C=C4)OC","MHDJXWPTXRZFFJ-SFQUDFHCSA-N","5470907",NA,"PDBC06055","706203","Present"
-"(8E)-6-Ethyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","(8E)-6-Ethyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione","","CCN1CC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C(C1)C(NC(=S)N3)C4=CC(=C(C(=C4)OC)OC)OC","VOPZVJNXHVVVFM-GIJQJNRQSA-N","5470868",NA,"PDBC06056","706012","Present"
-"(8E)-6-Methyl-2-oxo-4-(p-tolyl)-8-(p-tolylmethylene)-4a,5,7,8a-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","(8E)-6-Methyl-4-(4-methylphenyl)-8-[(4-methylphenyl)methylidene]-2-oxo-4a,5,7,8a-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile","","CC1=CC=C(C=C1)C=C2CN(CC3C2NC(=O)C(=C3C4=CC=C(C=C4)C)C#N)C","CTVVSFYHMWPGST-UDWIEESQSA-N","5470912",NA,"PDBC06057","706208","Present"
-"(8E)-6-Methyl-4-(p-tolyl)-8-(p-tolylmethylene)-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","(8E)-6-Methyl-4-(4-methylphenyl)-8-[(4-methylphenyl)methylidene]-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione","","CC1=CC=C(C=C1)C=C2CN(CC3C2=NC(=S)NC3C4=CC=C(C=C4)C)C","TWQNLQSVHIFNMC-XDHOZWIPSA-N","5470909",NA,"PDBC06058","706205","Present"
-"(8E)-8-[(3,4-Dichlorophenyl)methylidene]-2-methyl-5-phenyl-2-azabicyclo[3.3.1]nonan-7-one;perchloric acid","","","","","","","","","","","","","","","","","","","","(8E)-8-[(3,4-Dichlorophenyl)methylidene]-2-methyl-5-phenyl-2-azabicyclo[3.3.1]nonan-7-one;perchloric acid","","CN1CCC2(CC1C(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)C2)C4=CC=CC=C4.OCl(=O)(=O)=O","OPWPTFFUELNNBS-SJDTYFKWSA-N","24202621",NA,"PDBC06059","715577","Present"
-"(8E)-8-[(6-Bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one","","","","","","","","","","","","","","","","","","","","(8E)-8-[(6-Bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one","","C1OC2=C(O1)C3=C(C=C2)NC(=O)C3=CC4=CC5=C(C=C4Br)OCO5","ZJFBACMWMSCCKF-YCRREMRBSA-N","54606088",NA,"PDBC06060","103517","Present"
-"(8R)-2-Methoxy-8-(methoxymethoxy)-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(8R)-2-Methoxy-8-(methoxymethoxy)-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","COCOC1CC2C=NC3=CC(=C(C=C3C(=O)N2C1)OC)OCC4=CC=CC=C4","JOUPKRQEJNRENR-ZYMOGRSISA-N","24202951",NA,"PDBC06061","726368","Present"
-"(8R)-8-Hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","","","","","","","","","","","","","","","","","","","(8R)-8-Hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one","","COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)O)OCC4=CC=CC=C4","NPYAWVPHHKZHCW-YSSOQSIOSA-N","24202949",NA,"PDBC06062","726364","Present"
-"(8R,10R,13R,17R)-17-Hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one","","","","","","","","","","","","","","","","","","","","(8R,10R,13R,17R)-17-Hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one","","CC12CCC(=O)C=C1CCC3C2=CCC4(C3CCC4(C)O)C","BFMZZSBHQOCQFQ-JTJLRHCDSA-N","6712946",NA,"PDBC06063","89280","Present"
-"(8R,10R,13S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-olate;1-phenylbutane-1,3-dione;titanium(4+);hydrochloride","","","","","","","","","","","","","","","","","","","",".cis.-Bis(4-androstene-3-on-17.beta.-olato)bis(1-phenyl-...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC12CCC3C(C1CCC2[O-])CCC4=CC(=O)CCC34C.CC12CCC3C(C1CCC2[O-])CCC4=CC(=O)CCC34C.Cl.[Ti+4]","QKSFNHMRLDKJLV-PHIWCJHCSA-N","369322",NA,"PDBC06064","641077","Present"
-"(8R,9S)-9-Methyl-8-(2-methylprop-1-enyl)-9-(phenylmethoxymethyl)-1,4-dioxaspiro[4.4]nonane","","","","","","","","","","","","","","","","","","","","(6s,7r)-6-(Benzyloxymethyl)-6-methyl-7-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.4]nonane","","CC(=CC1CCC2(C1(C)COCC3=CC=CC=C3)OCCO2)C","RZLLAVTWFQPITJ-RTBURBONSA-N","395708",NA,"PDBC06065","700506","Present"
-"(8R,9S,10R,13S,14S)-17-Ethyl-7,15-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S)-17-Ethyl-7,15-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione","","CCC1C(=O)C(C2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C)O","BVFSMCURQWGSNJ-XWUJPCASSA-N","393655",NA,"PDBC06066","695926","Present"
-"(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC=NC=C5)C4=O)C","AMKILYGJOCKGND-QAPYAIODSA-N","5472143",NA,"PDBC06067","716558","Present"
-"(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=O)C","AFRAMRMHMXULFV-SRXIZSCHSA-N","5470702",NA,"PDBC06068","704614","Present"
-"(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4=O)C","HIMMMBGXCVQTKO-CGPFZWBSSA-N","5472100",NA,"PDBC06069","716263","Present"
-"(8R,9S,10R,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C","SSJWRCJDABBSEM-AGWLWAPNSA-N","5472096",NA,"PDBC06070","716259","Present"
-"(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5C=CN=C5)C)O","RXLJNRSVCPVTJX-ABHKIEPHSA-N","390529",NA,"PDBC06071","687977","Present"
-"(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(C4=O)N5C=CN=C5)C","FJTZEZQHMRVBGI-ZWZXKMJASA-N","390531",NA,"PDBC06072","687979","Present"
-"(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5C=CN=C5)C)N6CCCC6","KRHIHQCEBCPCIT-XVQQVLLFSA-N","390532",NA,"PDBC06073","687980","Present"
-"(8R,9S,10R,13S,14S,16R)-3-Hydroxy-16-imidazol-1-yl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,16R)-3-Hydroxy-16-imidazol-1-yl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)N5C=CN=C5)C)O","YDDFIFPOTRPTLE-ZMWAEKESSA-N","390528",NA,"PDBC06074","687976","Present"
-"(8R,9S,10R,13S,14S,16Z)-16-Benzylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,16Z)-16-Benzylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC=CC=C5)C4=O)C","IWHLHPSOYGLDQI-BPBRNRSZSA-N","5470423",NA,"PDBC06075","701568","Present"
-"(8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide","","CC12CCC3C(C1CCC2(C(=O)N)O)CCC4=CC(=O)C=CC34C","UEKHMYRVPWHCJR-VRYCVARASA-N","384648",NA,"PDBC06076","674691","Present"
-"(8R,9S,10R,13S,14S,17R)-17-Hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,17R)-17-Hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide","","CC12CCC3C(C1CCC2(C(=O)N)O)CCC4=CC(=O)CCC34","XXDGCWWPOLJGKI-FIAUESIKSA-N","384647",NA,"PDBC06077","674690","Present"
-"(8R,9S,10R,13S,14S,17R)-17-Hydroxy-13-methyl-N-(2-methyl-4-oxopentan-2-yl)-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,17R)-17-Hydroxy-13-methyl-N-(2-methyl-4-oxopentan-2-yl)-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide","","CC(=O)CC(C)(C)NC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)O","LGWKYQYCAUNLCR-HGBFTFLOSA-N","384649",NA,"PDBC06078","674692","Present"
-"(8R,9S,10R,13S,14S,17S)-17-Acridin-9-yloxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,17S)-17-Acridin-9-yloxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","","C1CC2C(CCC2OC3=C4C=CC=CC4=NC5=CC=CC=C53)C6C1C7CCC(=O)C=C7CC6","SLWDEDNZLAEPDP-UCHFDKSKSA-N","397510",NA,"PDBC06079","705636","Present"
-"(8R,9S,10R,13S,14S,17S)-4,4-Diethyl-17-hydroxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one","","","","","","","","","","","","","","","","","","","","(8R,9S,10R,13S,14S,17S)-4,4-Diethyl-17-hydroxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one","","CCC1(C(=O)CCC2(C1=CCC3C2CCC4(C3CCC4O)C)C)CC","RVTQCGLEVRXMCP-ZLWSLIOBSA-N","398339",NA,"PDBC06080","708059","Present"
-"(8R,9S,13S,14S)-2,4-Dibromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","2,4-Dibromoestra-1,3,5(10)-trien-3-ol-17-one","","CC12CCC3C(C1CCC2=O)CCC4=C(C(=C(C=C34)Br)O)Br","HEWYVIICKQEYPO-HIONPOMWSA-N","388135",NA,"PDBC06081","682690","Present"
-"(8R,9S,13S,14S)-3,6-Dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","estra-1,3,5(10)-trien-3,6-diol-17-one","","CC12CCC3C(C1CCC2=O)CC(C4=C3C=CC(=C4)O)O","HTORTGVWUGQTHQ-QNZOISAHSA-N","150919",NA,"PDBC06082","740029","Present"
-"(8R,9S,13S,14S)-3-[[4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","Estra-1,3,5[10]-trien-17-one, 3-[[4,6-bis(1-aziridinyl)-...","","CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)N6CC6)N7CC7","JCBUOSRYPMXDEE-PUFAWVJESA-N","267557",NA,"PDBC06083","106909","Present"
-"(8R,9S,13S,14S,16E)-13-Methyl-3-(2-pyrrolidin-1-ylethoxy)-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","(8R,9S,13S,14S,16E)-13-Methyl-3-(2-pyrrolidin-1-ylethoxy)-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one","","CC12CCC3C(C1CC(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O)CCC5=C3C=CC(=C5)OCCN6CCCC6","JUBUTZARPJLCEI-GXFRTEOMSA-N","5470421",NA,"PDBC06084","701228","Present"
-"(8R,9S,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","(8R,9S,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one","","CC12CCC3C(C1CC(=CC4=CC(=C(C=C4)OC)OC)C2=O)CCC5=C3C=CC(=C5)OC","SZBWKZHLROZHJQ-JMOBTMGKSA-N","5470419",NA,"PDBC06085","701226","Present"
-"(8R,9S,13S,14S,16E)-3-Methoxy-13-methyl-16-(pyridin-4-ylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","(8R,9S,13S,14S,16E)-3-Methoxy-13-methyl-16-(pyridin-4-ylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one","","CC12CCC3C(C1CC(=CC4=CC=NC=C4)C2=O)CCC5=C3C=CC(=C5)OC","KPRTUBHMORTVPE-XCFFBTTBSA-N","5470444",NA,"PDBC06086","701816","Present"
-"(8R,9S,13S,14S,16E)-3-Methoxy-13-methyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one","","","","","","","","","","","","","","","","","","","","(8R,9S,13S,14S,16E)-3-Methoxy-13-methyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one","","CC12CCC3C(C1CC(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O)CCC5=C3C=CC(=C5)OC","WZSDMIDMXOYQEZ-LBVVJSNLSA-N","5470418",NA,"PDBC06087","701225","Present"
-"(8R,9S,13S,14S,16E,17S)-13-Methyl-16-(pyridin-4-ylmethylidene)-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol","","","","","","","","","","","","","","","","","","","","16-(4'-pyridylmethylene)-1,3,5(10)estratriene- 3,17.beta...","","CC12CCC3C(C1CC(=CC4=CC=NC=C4)C2O)CCC5=C3C=CC(=C5)O","SOWVSBMETYFGLF-XSKIZVDTSA-N","5470876",NA,"PDBC06088","706021","Present"
-"(8R,9S,13S,14S,17S)-17-[2-(Dimethylamino)ethoxy]-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","estra-1,3,5(10)-17B[2-(N,N-dimethylamino)-ethoxyl]-2-met...","","CC12CCC3C(C1CCC2OCCN(C)C)CCC4=CC(=C(C=C34)OC)O","UVNARGXNUDJMJN-JIAAILLZSA-N","155812016",NA,"PDBC06089","788054","Present"
-"(8R,9S,13S,14S,17S)-17-[2-(Dimethylamino)ethylamino]-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","Estra-1,3,5(10)-triene-17beta[2-(N,N-dimethylamino)-ethy...","","CC12CCC3C(C1CCC2NCCN(C)C)CCC4=CC(=C(C=C34)OC)O","NRHNUTNOWPUEOX-JIAAILLZSA-N","155812151",NA,"PDBC06090","788055","Present"
-"(8R,9S,13S,14S,17S)-17-[3-(Dimethylamino)propoxy]-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","2-methoxy-estra-1,3,5(10)-trien-17 beta[2-(N,N-dimethyla...","","CC12CCC3C(C1CCC2OCCCN(C)C)CCC4=CC(=C(C=C34)OC)O","PIAGQWIQDZAFDY-JFDOVZFRSA-N","155813544",NA,"PDBC06091","788056","Present"
-"(8R,9S,13S,14S,17S)-3,17-Dihydroxy-13-methyl-2-(2,2,2-trifluoroethoxy)-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one","","","","","","","","","","","","","","","","","","","","2-Trifluoroethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-...","","CC12CCC3C(C1CCC2O)CC(=O)C4=CC(=C(C=C34)OCC(F)(F)F)O","HXKISEUWNSOHQL-XLVSEUFYSA-N","387663",NA,"PDBC06092","681684","Present"
-"(8S)-2-Cyclohexyl-5-(1H-indol-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","","","","","","","","","","","","","","","","","","","(8S)-2-Cyclohexyl-5-(1H-indol-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","C1CCC(CC1)C2C3=C(CC4N2C(=O)C(NC4=O)CC5=CNC6=CC=CC=C65)C7=CC=CC=C7N3","CWFHEWNGCJWWRW-AYIJWJHJSA-N","397176",NA,"PDBC06093","704581","Present"
-"(8S)-2-Cyclohexyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","","","","","","","","","","","","","","","","","","","(8S)-2-Cyclohexyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","CC(C)(C)OCC1C(=O)N2C(CC3=C(C2C4CCCCC4)NC5=CC=CC=C35)C(=O)N1","PFBZJJBXQCDSHA-FUHYEJFZSA-N","397174",NA,"PDBC06094","704579","Present"
-"(8S)-2-Ethyl-5-(1H-indol-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","","","","","","","","","","","","","","","","","","","(8S)-2-Ethyl-5-(1H-indol-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","CCC1C2=C(CC3N1C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54)C6=CC=CC=C6N2","VBTVHUMUVXSSRB-HRTMPFAESA-N","397167",NA,"PDBC06095","704572","Present"
-"(8S)-2-Ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","","","","","","","","","","","","","","","","","","","(8S)-2-Ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","CCC1C2=C(CC3N1C(=O)C(NC3=O)COC(C)(C)C)C4=CC=CC=C4N2","OHRKKMFZDUDWQZ-JCYILVPMSA-N","397165",NA,"PDBC06096","704570","Present"
-"(8S)-2-Ethyl-5-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","","","","","","","","","","","","","","","","","","","(8S)-2-Ethyl-5-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","CCC1C2=C(CC3N1C(=O)C(NC3=O)C)C4=CC=CC=C4N2","WTYHSFJWFSZULY-FQXIOZCDSA-N","397161",NA,"PDBC06097","704566","Present"
-"(8S)-5-(1H-Indol-3-ylmethyl)-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","","","","","","","","","","","","","","","","","","","(8S)-5-(1H-Indol-3-ylmethyl)-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54)C6=CC=CC=C6N2","LFLATYJCVQVKIN-VHYCJAOWSA-N","397180",NA,"PDBC06098","704585","Present"
-"(8S)-5-(1H-Indol-3-ylmethyl)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","","","","","","","","","","","","","","","","","","","(8S)-5-(1H-Indol-3-ylmethyl)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","C1C2C(=O)NC(C(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC=CC=C5)CC6=CNC7=CC=CC=C76","BUICXYYUEPTJQC-AYIJWJHJSA-N","397171",NA,"PDBC06099","704576","Present"
-"(8S)-5-Benzyl-2-ethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","","","","","","","","","","","","","","","","","","","(8S)-5-Benzyl-2-ethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","CCC1C2=C(CC3N1C(=O)C(NC3=O)CC4=CC=CC=C4)C5=CC=CC=C5N2","ODUPYNQIZWDIOB-MHJFOBGBSA-N","397163",NA,"PDBC06100","704568","Present"
-"(8S)-5-[(2-Methylpropan-2-yl)oxymethyl]-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","","","","","","","","","","","","","","","","","","","(8S)-5-[(2-Methylpropan-2-yl)oxymethyl]-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)COC(C)(C)C)C4=CC=CC=C4N2","NFTGGKHBTWDPAV-ACBHZAAOSA-N","397178",NA,"PDBC06101","704583","Present"
-"(8S)-5-[(2-Methylpropan-2-yl)oxymethyl]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","","","","","","","","","","","","","","","","","","","(8S)-5-[(2-Methylpropan-2-yl)oxymethyl]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione","","CC(C)(C)OCC1C(=O)N2C(CC3=C(C2C4=CC=CC=C4)NC5=CC=CC=C35)C(=O)N1","LCKNAPKRNNOXOE-FUHYEJFZSA-N","397169",NA,"PDBC06102","704574","Present"
-"(8S)-7-Methyl-1,4-dioxaspiro[4.5]decan-8-ol","","","","","","","","","","","","","","","","","","","","(8S)-7-Methyl-1,4-dioxaspiro[4.5]decan-8-ol","","CC1CC2(CCC1O)OCCO2","LCTPUJDUSKCUMZ-MQWKRIRWSA-N","359575",NA,"PDBC06103","620567","Present"
-"(8S,9R,10S,13S,14S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9-methylsulfanyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","","","","","","","","","","","","","","","","","","","","(8S,9R,10S,13S,14S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9-methylsulfanyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione","","CC12CCC(=O)C=C1CCC3C2(C(=O)CC4(C3CCC4(C(=O)CO)O)C)SC","MSEBSCSYBGIIJX-VWCSCAALSA-N","253106",NA,"PDBC06104","75541","Present"
-"(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-dimethyl-17-(2-phenyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one","","","","","","","","","","","","","","","","","","","","Androst-4-en-3-one, 11.beta.-hydroxy-17.beta.-(2-phenyl-...","","CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C5=CSC(=N5)C6=CC=CC=C6)C)O","DIDVQQHUMYJCEX-QCZBTCEYSA-N","261360",NA,"PDBC06105","93354","Present"
-"(8S,9S,10R,13S,14S)-17-Ethyl-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione","","","","","","","","","","","","","","","","","","","","(8S,9S,10R,13S,14S)-17-Ethyl-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione","","CCC1C(=O)CC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C","RTEFBYKMZREDFG-SYLMZFASSA-N","393654",NA,"PDBC06106","695925","Present"
-"(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide","","","","","","","","","","","","","","","","","","","","(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide","","CC12CCC3C(C1CCC2C(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F)CCC5=CC(=O)CCC35C","BICFPGJOYMXLLX-WWMZEODYSA-N","384651",NA,"PDBC06107","674694","Present"
-"(8S,9S,10R,13S,14S,17S)-17-(2-Amino-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one","","","","","","","","","","","","","","","","","","","","(8S,9S,10R,13S,14S,17S)-17-(2-Amino-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one","","CC12CCC3C(C1CCC2C4=CSC(=N4)N)CCC5=CC(=O)CCC35C","LBSHCMQCZQSXKN-VABCKDIBSA-N","214262",NA,"PDBC06108","88917","Present"
-"(8Z)-3-Ethoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene","","","","","","","","","","","","","","","","","","","","(8Z)-3-Ethoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene","","CCOC1=CC2=C(C=C1)NC2=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-]","BDWZKZLRIUWYJC-KHPPLWFESA-N","2246159",NA,"PDBC06109","698399","Present"
-"(8Z)-3-Methoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1(6),2,4-triene","","","","","","","","","","","","","","","","","","","","(8Z)-3-Methoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1(6),2,4-triene","","COC1=CC2=C(C=C1)NC2=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-]","XEACFALUCMGPET-KTKRTIGZSA-N","5471292",NA,"PDBC06110","710283","Present"
-"(8Z)-4-(2-Chlorophenyl)-8-[(2-chlorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-ol","","","","","","","","","","","","","","","","","","","","(8Z)-4-(2-Chlorophenyl)-8-[(2-chlorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-ol","","C1C(=CC2=CC=CC=C2Cl)C3=NC(=O)NC(=C3CO1)C4=CC=CC=C4Cl","YHENNMQREKSCHP-UKTHLTGXSA-N","5469519",NA,"PDBC06111","689287","Present"
-"(8Z)-4-(3-Chlorophenyl)-8-[(3-chlorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","(8Z)-4-(3-Chlorophenyl)-8-[(3-chlorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine","","C1C(=CC2=CC(=CC=C2)Cl)C3=NC(=NC(=C3CO1)C4=CC(=CC=C4)Cl)N","CJHQPXUERTZCAI-VGOFMYFVSA-N","5469514",NA,"PDBC06112","689282","Present"
-"(8Z)-4-(4-Bromophenyl)-8-[(4-bromophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-ol","","","","","","","","","","","","","","","","","","","","(8Z)-4-(4-Bromophenyl)-8-[(4-bromophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-ol","","C1C(=CC2=CC=C(C=C2)Br)C3=NC(=O)NC(=C3CO1)C4=CC=C(C=C4)Br","LZEARBPFZUKCGT-NTEUORMPSA-N","5469517",NA,"PDBC06113","689285","Present"
-"(8Z)-4-(4-Fluorophenyl)-8-[(4-fluorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","(8Z)-4-(4-Fluorophenyl)-8-[(4-fluorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine","","C1C(=CC2=CC=C(C=C2)F)C3=NC(=NC(=C3CO1)C4=CC=C(C=C4)F)N","SWXABLOEPGQKLV-NTEUORMPSA-N","5469513",NA,"PDBC06114","689281","Present"
-"(8Z)-8-(Nitromethylene)-5H-[1,3]dioxolo[4,5-g]isochromene","","","","","","","","","","","","","","","","","","","","(8Z)-8-(Nitromethylene)-5H-[1,3]dioxolo[4,5-g]isochromene","","C1C2=CC3=C(C=C2C(=C[N+](=O)[O-])CO1)OCO3","DFSFYDOYEHECIY-FPYGCLRLSA-N","3005429",NA,"PDBC06115","699770","Present"
-"(8Z)-8-[(Z)-2,3-Dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-3-methoxy-7-azabicyclo[4.2.0]octa-1(6),2,4-triene;hydrochloride","","","","","","","","","","","","","","","","","","","","(8Z)-8-[(Z)-2,3-Dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-3-methoxy-7-azabicyclo[4.2.0]octa-1(6),2,4-triene;hydrochloride","","COC1=CC2=C(C=C1)NC2=C(C(=C(N3CCCCC3)Cl)Cl)[N+](=O)[O-].Cl","AIJPORABJOMLLB-OTMCRQANSA-N","5471295",NA,"PDBC06116","710285","Present"
-"(9,10-Dioxo-9,10-dihydro-2-anthracenyl)methyl 4-(((benzyloxy)carbonyl)amino)butanoate","","","","","","","","","","","","","","","","","","","","(9,10-Dioxo-9,10-dihydro-2-anthracenyl)methyl 4-(((benzyloxy)carbonyl)amino)butanoate","","C1=CC=C(C=C1)COC(=O)NCCCC(=O)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","GLSRLQQPDNYBOH-UHFFFAOYSA-N","353872",NA,"PDBC06117","603427","Present"
-"(9,10-Dioxoanthracen-2-yl)methyl 3-benzamido-2-hydroxy-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Benzenepropanoic acid, .beta.-(benzoylamino)-.alpha.- hy...","","C1=CC=C(C=C1)C(C(C(=O)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O)NC(=O)C5=CC=CC=C5","MHQSGAKVNWJEHS-UHFFFAOYSA-N","361915",NA,"PDBC06118","625350","Present"
-"(9,6,7,8,9,10-Hexahydro-indeno[1,2-b]indol-5-yl)-acetic acid","","","","","","","","","","","","","","","","","","","","(9,10-Dioxo-5,6,7,8,9,10-hexahydro-indeno[1,2-b]indol-5-...","","C1CC2=C(C(=O)C1)C3=C(N2CC(=O)O)C4=CC=CC=C4C3=O","TVJABHVKADQEEG-UHFFFAOYSA-N","24205928",NA,"PDBC06119","737304","Present"
-"(9-Benzoyl-10-methyl-1,3,5,7-tetraphenyl-4-thia-10-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-8-yl)-phenylmethanone","","","","","","","","","","","","","","","","","","","","(9-Benzoyl-10-methyl-1,3,5,7-tetraphenyl-4-thia-10-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-8-yl)-phenylmethanone","","CN1C2(C3=C(SC(=C3C1(C(=C2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9","HCMZVDFVBITZPP-UHFFFAOYSA-N","363189",NA,"PDBC06120","627863","Present"
-"(9-Benzyl-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl) acetate","","","","","","","","","","","","","","","","","","","","(9-Benzyl-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl) acetate","","CC1=NC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)OC(=O)C)C(=O)O1","IZZTZWBXIBJROK-UHFFFAOYSA-N","384421",NA,"PDBC06121","674198","Present"
-"(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-(3,4,5-trimethoxyphenyl)methanone","","COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","OTMRFEOAUMEFSY-UHFFFAOYSA-N","394878",NA,"PDBC06122","698969","Present"
-"(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-(4-bromophenyl)methanone","","","","","","","","","","","","","","","","","","","","(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-(4-bromophenyl)methanone","","C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)C(=O)C5=CC=C(C=C5)Br","YQYVUGHGGUGFFK-UHFFFAOYSA-N","394876",NA,"PDBC06123","698967","Present"
-"(9-Chloro-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-yl)(phenyl)methanone","","","","","","","","","","","","","","","","","","","","(9-Chloro-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-yl)(phenyl)methanone","","C1CC2=C(C3=C(C=CC(=C3)Cl)N=C2C(=O)C4=CC=CC=C4)OC1","QPRRTBAWMJJAGW-UHFFFAOYSA-N","370217",NA,"PDBC06124","642961","Present"
-"(9-Ethylcarbazol-3-yl)-quinolin-5-ylmethanol","","","","","","","","","","","","","","","","","","","","(9-ethyl-9H-carbazol-3-yl)(quinolin-5-yl)methanol","","CCN1C2=C(C=C(C=C2)C(C3=C4C=CC=NC4=CC=C3)O)C5=CC=CC=C51","TZOSKHBHYRMLGA-UHFFFAOYSA-N","151965559",NA,"PDBC06125","780982","Present"
-"(9-Formyloxy-2,10-dimethyl-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl) formate","","","","","","","","","","","","","","","","","","","","(9-Formyloxy-2,10-dimethyl-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl) formate","","CC12C3=CC=CC=C3C(C4=CC=CC=C41)(C5(C6=CC=CC=C6C2(C7=CC=CC=C75)OC=O)C)OC=O","OEOHOOLHNQMXTR-UHFFFAOYSA-N","366882",NA,"PDBC06126","635925","Present"
-"(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)-acetic acid","","","","","","","","","","","","","","","","","","","","(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)-acetic acid","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(N3CC(=O)O)C=CC=C4O","UIWUTXGOPXEJDI-UHFFFAOYSA-N","24205927",NA,"PDBC06127","737303","Present"
-"(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)acetic aci...","","COC(=O)CN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O","SIUJOUSXCOFKNI-UHFFFAOYSA-N","24205567",NA,"PDBC06128","736171","Present"
-"(9-Methoxy-11H-indeno[1,2-c]quinolin-6-yl)hydrazine","","","","","","","","","","","","","","","","","","","","(9-Methoxy-11H-indeno[1,2-c]quinolin-6-yl)hydrazine","","COC1=CC2=C(C=C1)C3=C(C2)C4=CC=CC=C4N=C3NN","BCNAWKXETTYPNX-UHFFFAOYSA-N","24205577",NA,"PDBC06129","736186","Present"
-"(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl butanoate;iodide","","","","","","","","","","","","","","","","","","","","2-[(Butanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]","DACPJVDRGOMXKV-UHFFFAOYSA-N","367399",NA,"PDBC06130","637125","Present"
-"(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl heptanoate;iodide","","","","","","","","","","","","","","","","","","","","2-[(Heptanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CCCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]","RLTLFYOPSARSSA-UHFFFAOYSA-N","367405",NA,"PDBC06131","637128","Present"
-"(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl hexanoate;iodide","","","","","","","","","","","","","","","","","","","","2-[(Hexanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]","SAXWMWPHBFHFIA-UHFFFAOYSA-N","367403",NA,"PDBC06132","637127","Present"
-"(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl pentanoate;iodide","","","","","","","","","","","","","","","","","","","","9-Methoxy-5,11-dimethyl-2-[(pentanoyloxy)methyl]-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]","SKRSITQAOQRHBB-UHFFFAOYSA-N","367401",NA,"PDBC06133","637126","Present"
-"(9Bs)-2-acetyl-3,7,9-trihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-8,9b-dimethyldibenzofuran-1-one","","","","","","","","","","","","","","","","","","","","( S,E)-2-acetyl-6-(3-(4-methoxyphenyl)acryloyl)-3,7,9-tr...","","CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C=CC4=CC=C(C=C4)OC)O","ZRVAGITWKJTFBL-GYAHLDOBSA-N","155813497",NA,"PDBC06134","782857","Present"
-"(9Bs)-2-acetyl-6-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one","","","","","","","","","","","","","","","","","","","","(S,E)-2-acetyl-6-(3-(2,6-dichlorophenyl)-3,7,9-trihydrox...","","CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C=CC4=C(C=CC=C4Cl)Cl)O","ZGWMKJUBMPNNGR-LAUDKDLHSA-N","155810357",NA,"PDBC06135","782854","Present"
-"(9Bs)-2-acetyl-6-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one","","","","","","","","","","","","","","","","","","","","( S,E)-2-acetyl-6-(3-(3,5-dichlorophenyl)acryloyl)-3,7,9...","","CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C=CC4=CC(=CC(=C4)Cl)Cl)O","PFLDFIVHROLKQI-YQRKEEQESA-N","155808910",NA,"PDBC06136","782856","Present"
-"(9Bs)-2-acetyl-6-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoyl]-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one","","","","","","","","","","","","","","","","","","","","(S,E)-2-acetyl-6-(3-(3,5-bis(trifluoromethyl)phenyl)acry...","","CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C=CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)O","RTCYXTDJFMHZGV-YQRKEEQESA-N","155814871",NA,"PDBC06137","782855","Present"
-"(9E)-5-(3,4,5-Trimethoxyphenyl)-9-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","(E)-9-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trimethoxyp...","","COC1=CC(=CC(=C1OC)OC)C=C2CCCC3=C2N=C4N(C3C5=CC(=C(C(=C5)OC)OC)OC)N=CS4","NERPHBVLDNJKRW-LICLKQGHSA-N","155805284",NA,"PDBC06138","776745","Present"
-"(9E)-9-Benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-6,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-4-one","","","","","","","","","","","","","","","","","","","","(9E)-9-Benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-6,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-4-one","","CN1C(=O)C2=C(NC3=C(C2C4=CC=CC=C4)CCCC3=CC5=CC=CC=C5)N=C1SC","AVBCXQAQRNEOFM-KNTRCKAVSA-N","60147558",NA,"PDBC06139","751623","Present"
-"(9H-Fluoren-9-yl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","NSC67714","","C1=CC=C(C=C1)[P+](C2C3=CC=CC=C3C4=CC=CC=C24)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","BHNPKGAMAZKCCJ-UHFFFAOYSA-M","18702719",NA,"PDBC06140","67714","Present"
-"(9R)-(+)-Methyldihydrofluroesceylphenylethylamide","","","","","","","","","","","","","","","","","","","","(9R)-(+)-Methyldihydrofluroesceylphenylethylamide","","CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C3C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC","WAWHGWCVKDJIIY-VZPMCMERSA-N","6711880",NA,"PDBC06141","645659","Present"
-"(9R)-4-Bromo-6-methoxy-13-methyl-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-10-one","","","","","","","","","","","","","","","","","","","","(9R)-4-Bromo-6-methoxy-13-methyl-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-10-one","","CN1CCC23CC1CC(=O)C2OC4=C3C=C(C=C4OC)Br","GRTJJLDQBHAIRY-NWWFGRIYSA-N","398847",NA,"PDBC06142","708983","Present"
-"(9R)-9,10-Dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbonitrile","","","","","","","","","","","","","","","","","","","","(9R)-9,10-Dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbonitrile","","CC12CC(C(C(=O)N1C)C#N)C3=CC=CC=C3O2","PVRJRIAYVFBQCU-QIMFLAQGSA-N","397573",NA,"PDBC06143","705893","Present"
-"(9R)-9,10-Dimethyl-11-oxo-N-pyridin-2-yl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","","","","","","","","","","","","","","","","","","","(9R)-9,10-Dimethyl-11-oxo-N-pyridin-2-yl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","CC12CC(C(C(=O)N1C)C(=O)NC3=CC=CC=N3)C4=CC=CC=C4O2","FBASSRSUKFUAQB-NSRCDFIJSA-N","397578",NA,"PDBC06144","705898","Present"
-"(9R)-9-Methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbonitrile","","","","","","","","","","","","","","","","","","","","(9R)-9-Methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbonitrile","","CC12CC(C(C(=O)N1)C#N)C3=CC=CC=C3O2","LEHJKPZIVDYYAU-SRHKJQAYSA-N","395968",NA,"PDBC06145","701092","Present"
-"(9R)-9-Methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","","","","","","","","","","","","","","","","","","","(9R)-9-Methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","CC12CC(C(C(=O)N1)C(=O)N)C3=CC=CC=C3O2","MKACOZKGXOEJCF-QDPIBXHXSA-N","395966",NA,"PDBC06146","701090","Present"
-"(9R)-N-(1-Adamantyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","","","","","","","","","","","","","","","","","","","(9R)-N-(1-Adamantyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","CC12CC(C(C(=O)N1)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6O2","RHWLBKOVCMUYOM-AURXRZFLSA-N","397579",NA,"PDBC06147","705899","Present"
-"(9R)-N-[4-(1-Adamantyl)-1,3-thiazol-2-yl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","","","","","","","","","","","","","","","","","","","(9R)-N-[4-(1-Adamantyl)-1,3-thiazol-2-yl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","CC12CC(C(C(=O)N1)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7O2","QUTISXKGYLCYHB-HIRMIEAISA-N","395969",NA,"PDBC06148","701093","Present"
-"(9R,15R)-1H-Pyrrole-2-carboxylic acid (6a-methoxy-2-oxo-hexahydro-furo[2,3-d]imidazol-5-ylmethyl)-amide","","","","","","","","","","","","","","","","","","","","(9R,11R,15R)-1H-Pyrrole-2-carboxylic acid (6a-methoxy-2-...","","COC12CC(OC1NC(=O)N2)CNC(=O)C3=CC=CN3","IZKNAUHOOGPZGV-NYRNMGCKSA-N","405753",NA,"PDBC06149","723329","Present"
-"(9R,15R)-4,5-Dibromo-1H-pyrrole-2-carboxylic acid (6a-methoxy-2-oxo-hexahydro-furo[2,3-d]imidazol-5-ylmethyl)-amide","","","","","","","","","","","","","","","","","","","","(9R,11R,15R)-4,5-Dibromo-1H-pyrrole-2-carboxylic acid (6...","","COC12CC(OC1NC(=O)N2)CNC(=O)C3=CC(=C(N3)Br)Br","BDWCNTZETWSRFF-DQMYXGJXSA-N","405754",NA,"PDBC06150","723330","Present"
-"(9S)-(-)-Methyldihydrofluoresceylphenylethylamide","","","","","","","","","","","","","","","","","","","","(9S)-(-)-Methyldihydrofluoresceylphenylethylamide","","CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C3C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC","WAWHGWCVKDJIIY-QGRUVSRESA-N","6711879",NA,"PDBC06151","645657","Present"
-"(9S)-5-Methoxy-9-methyl-10beta-(phenylamino)-9,10-dihydrophenanthrene-9alpha-ol","","","","","","","","","","","","","","","","","","","","(9s,10s)-5-Methoxy-9-methyl-10-(phenylamino)-9,10-dihydrophenanthren-9-ol","","CC1(C(C2=CC=CC=C2C3=C1C=CC=C3OC)NC4=CC=CC=C4)O","ZIXNGCFHBHNXIY-VXKWHMMOSA-N","401248",NA,"PDBC06152","714456","Present"
-"(9S)-9-Acetyl-7-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","7-O-[3-O-93-Amino-2,3,6-trideoxy-.alpha.-L.lyxo-hexopyra...","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)N)O.Cl","SKRZBWIPHSSTDG-LBPHQPJGSA-N","11970066",NA,"PDBC06153","659947","Present"
-"(9S,10S)-1,5-Dichloro-9,10-dithiophen-2-ylanthracene-9,10-diol","","","","","","","","","","","","","","","","","","","","(9s,10s)-1,5-Dichloro-9,10-dithiophen-2-yl-9,10-dihydroanthracene-9,10-diol","","C1=CC2=C(C(=C1)Cl)C(C3=C(C2(C4=CC=CS4)O)C(=CC=C3)Cl)(C5=CC=CS5)O","CQLPZIXZXBMJOU-FGZHOGPDSA-N","402490",NA,"PDBC06154","716516","Present"
-"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-(thiophen-2-ylmethylidene)-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","","","","","","","","","","","","","","","","","","","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-(thiophen-2-ylmethylidene)-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","CC1=NN(C2(C1=CC3=CC=CS3)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","WXXKSQXELNHRFO-UYRXBGFRSA-N","5471784",NA,"PDBC06155","713693","Present"
-"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-[(E)-3-phenylprop-2-enylidene]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","","","","","","","","","","","","","","","","","","","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-[(E)-3-phenylprop-2-enylidene]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","CC1=NN(C2(C1=CC=CC3=CC=CC=C3)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","SFQDPDHBXHOTMA-NRSKTENOSA-N","5471757",NA,"PDBC06156","713655","Present"
-"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(2-hydroxyphenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","","","","","","","","","","","","","","","","","","","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(2-hydroxyphenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","CC1=NN(C2(C1=CC3=CC=CC=C3O)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","FMHXPGGVIIJCAS-MOSHPQCFSA-N","135436212",NA,"PDBC06157","713656","Present"
-"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","","","","","","","","","","","","","","","","","","","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","CC1=NN(C2(C1=CC3=CC=C(C=C3)Cl)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","MYXDWVYLDKVBPZ-BKUYFWCQSA-N","5471761",NA,"PDBC06158","713659","Present"
-"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-hydroxy-3-methoxyphenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","","","","","","","","","","","","","","","","","","","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-hydroxy-3-methoxyphenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","CC1=NN(C2(C1=CC3=CC(=C(C=C3)O)OC)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","VJBIWTZFCORICZ-NDENLUEZSA-N","135436213",NA,"PDBC06159","713657","Present"
-"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[[4-(dimethylamino)phenyl]methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","","","","","","","","","","","","","","","","","","","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[[4-(dimethylamino)phenyl]methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","CC1=NN(C2(C1=CC3=CC=C(C=C3)N(C)C)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","DWJGTLCWKUBNEV-HAHDFKILSA-N","5471760",NA,"PDBC06160","713658","Present"
-"(9Z)-4-(1,3-Benzothiazol-2-yl)-9-benzylidene-6-(3-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","","","","","","","","","","","","","","","","","","","(9Z)-4-(1,3-Benzothiazol-2-yl)-9-benzylidene-6-(3-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","CC1=NN(C2(C1=CC3=CC=CC=C3)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","TUUCZONXHNBMPP-STZFKDTASA-N","5471756",NA,"PDBC06161","713654","Present"
-"(?)-Aegyptinone B","","","","","","","","","","","","","","","","","","","","(?)-Aegyptinone B","","CC1=C2C(=CC3=C1CCCC3(C)C)C(=C(C(=O)C2=O)C(C)CO)O","HPDJDMAPXQNONF-JTQLQIEISA-N","389887",NA,"PDBC06162","686516","Present"
-"(Acetyloxy)(1-pyrenyl)methyl acetate","","","","","","","","","","","","","","","","","","","","(Acetyloxy)(1-pyrenyl)methyl acetate","","CC(=O)OC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)C","BNKITCXZLUHIAB-UHFFFAOYSA-N","380625",NA,"PDBC06163","666300","Present"
-"(Acetyloxy)(2-((acetyloxy)methyl)-3-pyridinyl)methyl acetate","","","","","","","","","","","","","","","","","","","","(Acetyloxy)(2-((acetyloxy)methyl)-3-pyridinyl)methyl acetate","","CC(=O)OCC1=C(C=CC=N1)C(OC(=O)C)OC(=O)C","ROVDLZAVUAOSJT-UHFFFAOYSA-N","371017",NA,"PDBC06164","644879","Present"
-"(Acetyloxy)(3-formyl-1H-indol-1-yl)methyl acetate","","","","","","","","","","","","","","","","","","","","(Acetyloxy)(3-formyl-1H-indol-1-yl)methyl acetate","","CC(=O)OC(N1C=C(C2=CC=CC=C21)C=O)OC(=O)C","OLYARYBJYDYLPF-UHFFFAOYSA-N","382169",NA,"PDBC06165","669628","Present"
-"(Acetyloxy)(9-anthryl)methyl acetate","","","","","","","","","","","","","","","","","","","","(Acetyloxy)(9-anthryl)methyl acetate","","CC(=O)OC(C1=C2C=CC=CC2=CC3=CC=CC=C31)OC(=O)C","BSHMOJFTLGSXPF-UHFFFAOYSA-N","380624",NA,"PDBC06166","666299","Present"
-"(Alphae)-2-Oxo-3-[2-(2-pyridinyl)ethyl]-2,3-dihydrooxazolo[4,5-b]pyridine-6-acrylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-[2-oxo-3-[2-(2-pyridyl)ethyl]oxazolo[4,5-b]pyridin-6-yl]prop-2-enoate","","COC(=O)C=CC1=CC2=C(N=C1)N(C(=O)O2)CCC3=CC=CC=N3","XRJADBLFAXZPML-AATRIKPKSA-N","5470017",NA,"PDBC06167","696464","Present"
-"(Alphae)-beta-(2-Thienyl)-2'-chloroacrylophenone","","","","","","","","","","","","","","","","","","","","(Alphae)-beta-(2-Thienyl)-2'-chloroacrylophenone","","C1=CC=C(C(=C1)C(=O)C=CC2=CC=CS2)Cl","WZLQYYBWFBTDSA-BQYQJAHWSA-N","5872253",NA,"PDBC06168","700209","Present"
-"(Alphar,3'S)-alpha-Phenylamino-3'-(methoxycarbonyl)spiro[9H-fluorene-9,2'-thiirane]-3'-acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (2'S)-2'-[(1R)-1-anilino-2-methoxy-2-oxoethyl]spiro[fluorene-9,3'-thiirane]-2'-carboxylate","","COC(=O)C(C1(C2(S1)C3=CC=CC=C3C4=CC=CC=C24)C(=O)OC)NC5=CC=CC=C5","DBWXNWXFDZYENY-BWKNWUBXSA-N","398029",NA,"PDBC06169","707102","Present"
-"(Alphar,betaS)-beta-Methoxy-alpha,N-dimethylbenzeneethanamine","","","","","","","","","","","","","","","","","","","","(Alphar,betaS)-beta-Methoxy-alpha,N-dimethylbenzeneethanamine","","CC(C(C1=CC=CC=C1)OC)NC","DOVSRSGMFOLJSK-MWLCHTKSSA-N","6711303",NA,"PDBC06170","617172","Present"
-"(Alphas)-alpha-Amino-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexan-1alpha-yl]benzeneacetamide","","","","","","","","","","","","","","","","","","","","(2S)-2-Amino-N-methyl-2-phenyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide","","CN(C1CCCCC1N2CCCC2)C(=O)C(C3=CC=CC=C3)N","WTLHJSNHSYNTKJ-BZSNNMDCSA-N","398107",NA,"PDBC06171","707471","Present"
-"(Alphas)-alpha-tert-Butoxycarbonylamino-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexan-1alpha-yl]benzeneacetamide","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[(1S)-2-[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-2-oxo-1-phenylethyl]carbamate","","CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C2CCCCC2N3CCCC3","YPODCXIBXHQCBP-ACRUOGEOSA-N","6712728",NA,"PDBC06172","707470","Present"
-"(Alphas,2S)-alpha-(1-Naphthylcarbonyloxy)-2-methyloxirane-2alpha-acetamide","","","","","","","","","","","","","","","","","","","","[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] naphthalene-1-carboxylate","","CC1(CO1)C(C(=O)N)OC(=O)C2=CC=CC3=CC=CC=C32","WFELRYQTJNDKES-CJNGLKHVSA-N","10379181",NA,"PDBC06173","727014","Present"
-"(Alphas,2S)-alpha-(Benzoyloxy)-2-methyloxirane-2alpha-acetamide","","","","","","","","","","","","","","","","","","","","[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] benzoate","","CC1(CO1)C(C(=O)N)OC(=O)C2=CC=CC=C2","MRCVTUPGHAXZLB-SKDRFNHKSA-N","24203161",NA,"PDBC06174","727016","Present"
-"(Alphas,5S)-alpha-amino-3-bromo-4,5-dihydro-5-isoxazole acetic acid","","","","","","","","","","","","","","","","","","","","LDDHTAJMMDSEME-OKKQSCSOSA-N///(2R)-2-Amino-2-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]acetic acid","","C1C(ON=C1Br)C(C(=O)O)N","LDDHTAJMMDSEME-OKKQSCSOSA-N","6712634",NA,"PDBC06175","702655///702656","Present"
-"(Alphaz,2R,3S)-1-Tosyl-3-methylaziridine-2-acrylic acid methyl ester","","","","","","","","","","","","","","","","","","","","(Alphaz,2R,3S)-1-Tosyl-3-methylaziridine-2-acrylic acid methyl ester","","CC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C=CC(=O)OC","CCBZBLUNHZKKAA-MBGNOEIWSA-N","10891754",NA,"PDBC06176","664248","Present"
-"(Alphaz,2S,3S)-1-Tosyl-3-methylaziridine-2-acrylic acid methyl ester","","","","","","","","","","","","","","","","","","","","(Alphaz,2S,3S)-1-Tosyl-3-methylaziridine-2-acrylic acid methyl ester","","CC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C=CC(=O)OC","CCBZBLUNHZKKAA-OQHUYWJDSA-N","11970081",NA,"PDBC06177","664250","Present"
-"(Aminomethyl-ethyl-methyl-silyl)methanamine; dichloroplatinum","","","","","","","","","","","","","","","","","","","","(Aminomethyl-ethyl-methyl-silyl)methanamine; dichloroplatinum","","","","",NA,"PDBC06178","625299","Present"
-"(Aminomethyl-ethyl-methyl-silyl)methanamine; tetrachloroplatinum","","","","","","","","","","","","","","","","","","","","(Aminomethyl-ethyl-methyl-silyl)methanamine; tetrachloroplatinum","","","","",NA,"PDBC06179","625298","Present"
-"(Arylindolyl)maleimide deriv. 27","","","","","","","","","","","","","","","","","","","","NSC767268","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC=N5)C","XGISVNPAZQTTIQ-UHFFFAOYSA-N","5327669",NA,"PDBC06180","767268","Present"
-"(Benzo[1,3]dioxol-5-ylmethylene)-hydrazide","","","","","","","","","","","","","","","","","","","","(benzo[1,3]dioxol-5-ylmethylene-hydrazinocarbonylmethyls...","","C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CSCC(=O)NN=CC3=CC4=C(C=C3)OCO4","JCCVAGCAWXISOI-KVJLFNRQSA-N","9572691",NA,"PDBC06181","724343","Present"
-"(Benzylamino)urea","","","","","","","","","","","","","","","","","","","","(Benzylamino)urea","","C1=CC=C(C=C1)CNNC(=O)N","YEPJSQACJGPJLA-UHFFFAOYSA-N","243031",NA,"PDBC06182","52224","Present"
-"(Biphenyl-2-ylmethyl)propanedioic acid","","","","","","","","","","","","","","","","","","","","NSC94914","","C1=CC=C(C=C1)C2=CC=CC=C2CC(C(=O)O)C(=O)O","NRIDIKKHBOBNRS-UHFFFAOYSA-N","261865",NA,"PDBC06183","94914","Present"
-"(Bipyridyl)dibenzyltindi(isothiocyanate)","","","","","","","","","","","","","","","","","","","","(Bipyridyl)dibenzyltindi(isothiocyanate)","","","","",NA,"PDBC06184","695418","Present"
-"(Bipyridyl)dibenzyltindichloride","","","","","","","","","","","","","","","","","","","","(Bipyridyl)dibenzyltindichloride","","","","",NA,"PDBC06185","695416","Present"
-"(Bis(2-methyl-2-propenyl)amino)acetonitrile","","","","","","","","","","","","","","","","","","","","ACM500536107","","CC(=C)CN(CC#N)CC(=C)C","HQOGSDQFTKUNLW-UHFFFAOYSA-N","246343",NA,"PDBC06186","59288","Present"
-"(Bis-carboxymethyl-amino)-phenyl-acetic acid","","","","","","","","","","","","","","","","","","","","2-Phenyl(2,2',2''-nitrilotriacetic acid)","","C1=CC=C(C=C1)C(C(=O)O)N(CC(=O)O)CC(=O)O","ANCKYOCWKHXFAH-UHFFFAOYSA-N","394573",NA,"PDBC06187","698142","Present"
-"(Boc-Cys-OH)","","","","","","","","","","","","","","","","","","","","(Boc-Cys-OH)","","CC(C)(C)OC(=O)NC(CSSCC(C(=O)O)NC(=O)OC(C)(C)C)C(=O)O","MHDQAZHYHAOTKR-UHFFFAOYSA-N","294899",NA,"PDBC06188","668581","Present"
-"(Chinoline-8-olato)dicarbonyliridium(I)","","","","","","","","","","","","","","","","","","","","(Chinoline-8-olato)dicarbonyliridium(I)","","[C-]#[O+].[C-]#[O+].C1=CC2=C(C(=C1)[O-])N=CC=C2.[Ir]","VMNAZNIKDQTSNA-UHFFFAOYSA-M","6711629",NA,"PDBC06189","632879","Present"
-"(Dimethyl(vinyl)silyl)methyl 2-cyano-5-phenyl-2,4-pentadienoate","","","","","","","","","","","","","","","","","","","","(Dimethyl(vinyl)silyl)methyl 2-cyano-5-phenyl-2,4-pentadienoate","","C[Si](C)(COC(=O)C(=CC=CC1=CC=CC=C1)C#N)C=C","RNQRADIVJDJMQR-USFYMYEYSA-N","5848274",NA,"PDBC06190","634743","Present"
-"(Dimethylamino)ethyl p-aminobenzoate","","","","","","","","","","","","","","","","","","","","(Dimethylamino)ethyl p-aminobenzoate","","CN(C)CCOC(=O)C1=CC=C(C=C1)N","MXBCQLLLJGRMJI-UHFFFAOYSA-N","24782",NA,"PDBC06191","25247","Present"
-"(E And Z) 1,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-2-octene","","","","","","","","","","","","","","","","","","","","(E and Z) 1,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-2-...","","CC(C)(C(CCC(=CCBr)CBr)Br)Cl.CC(C)(C(CCC(=CCBr)CBr)Br)Cl","MRPOAJWLGMYAIF-OJEMXQENSA-N","5467856",NA,"PDBC06192","659557","Present"
-"(E And Z) 6-Bromo-3-bromomethyl-1,7-dichloro-7-methyl-2-octene","","","","","","","","","","","","","","","","","","","","(E and Z) 6-Bromo-3-bromomethyl-1,7-dichloro-7-methyl-2-...","","CC(C)(C(CCC(=CCCl)CBr)Br)Cl.CC(C)(C(CCC(=CCCl)CBr)Br)Cl","NTAJUKNNPDRPBE-OJEMXQENSA-N","5467859",NA,"PDBC06193","659558","Present"
-"(E) 3,4,5-Trimethoxy-4'-methylstilbene","","","","","","","","","","","","","","","","","","","","(E) 3,4,5-Trimethoxy-4'-methylstilbene","","CC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","YSJFPRSDNPCGBF-MDZDMXLPSA-N","5388776",NA,"PDBC06194","638494","Present"
-"(E) 4-Acetoxy-3,4',5-trimethoxystilbene","","","","","","","","","","","","","","","","","","","","(E) 4-Acetoxy-3,4',5-trimethoxystilbene","","CC(=O)OC1=C(C=C(C=C1OC)C=CC2=CC=C(C=C2)OC)OC","GDHFPJWOVNLKQP-AATRIKPKSA-N","5388775",NA,"PDBC06195","638493","Present"
-"(E)-(1-Methyl-1H-imidazole-2-yl)-3-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-(1-Methyl-1H-imidazole-2-yl)-3-phenylprop-2-en-1-one","","CN1C=CN=C1C(=O)C=CC2=CC=CC=C2","SFIPRXXKDJLCIP-BQYQJAHWSA-N","13566759",NA,"PDBC06196","743049","Present"
-"(E)-(2-(Hydroxymethyl)-5-oxo-4-(4-(trifluoromethyl)benzylidene)tetrahydrofuran-2-yl)methyl 2-propylpentanoate","","","","","","","","","","","","","","","","","","","","(E)-(2-(hydroxymethyl)-5-oxo-4-(4-(trifluoromethyl)benzy...","","CCCC(CCC)C(=O)OCC1(CC(=CC2=CC=C(C=C2)C(F)(F)F)C(=O)O1)CO","BJUMSBYSPRWYAF-GZTJUZNOSA-N","25053461",NA,"PDBC06197","749714","Present"
-"(E)-(2-Pyridyl)(4-methoxyphenyl) ketone (2-pyridyl)hydrazone","","","","","","","","","","","","","","","","","","","","N-[(E)-[(4-Methoxyphenyl)-pyridin-2-ylmethylidene]amino]pyridin-2-amine","","COC1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3","WISOJXSGCJIHCX-RELWKKBWSA-N","9630043",NA,"PDBC06198","693622","Present"
-"(E)-(2-Pyrimidinyl)phenyl ketone (2-pyridyl)hydrazone","","","","","","","","","","","","","","","","","","","","N-[(Z)-[Phenyl(pyrimidin-2-yl)methylidene]amino]pyridin-2-amine","","C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=NC=CC=N3","CZVLTCSZUVREJN-QNGOZBTKSA-N","6289386",NA,"PDBC06199","693625","Present"
-"(E)-(3-Acetoxy-3-cyano-1,1-dimethyl-propyl)-[(3-acetoxy-3-cyano-1,1-dimethyl-propyl)-oxido-iminio]-oxido-ammonium","","","","","","","","","","","","","","","","","","","","(E)-(4-Acetyloxy-4-cyano-2-methylbutan-2-yl)-[(4-acetyloxy-4-cyano-2-methylbutan-2-yl)-oxidoazaniumylidene]-oxidoazanium","","CC(=O)OC(CC(C)(C)[N+](=[N+](C(C)(C)CC(C#N)OC(=O)C)[O-])[O-])C#N","SPALPLVMFXBGCP-FMQUCBEESA-N","135493991",NA,"PDBC06200","688529","Present"
-"(E)-(3-Bromophenyl)-pyrrolidin-1-yl-diazene","","","","","","","","","","","","","","","","","","","","(E)-(3-Bromophenyl)-pyrrolidin-1-yl-diazene","","C1CCN(C1)N=NC2=CC(=CC=C2)Br","RLMAGAFYARQADS-UHFFFAOYSA-N","390402",NA,"PDBC06201","687756","Present"
-"(E)-(3-Cyano-3-hydroxy-1,1-dimethyl-propyl)-[(3-cyano-3-hydroxy-1,1-dimethyl-propyl)-oxido-iminio]-oxido-ammonium","","","","","","","","","","","","","","","","","","","","(E)-(4-Cyano-4-hydroxy-2-methylbutan-2-yl)-[(4-cyano-4-hydroxy-2-methylbutan-2-yl)-oxidoazaniumylidene]-oxidoazanium","","CC(C)(CC(C#N)O)[N+](=[N+](C(C)(C)CC(C#N)O)[O-])[O-]","ZXDZGTSSYWKDLT-FOCLMDBBSA-N","135493992",NA,"PDBC06202","688530","Present"
-"(E)-(4-(4-Fluorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydrofuran-2-yl)methyl 2-propylpentanoate","","","","","","","","","","","","","","","","","","","","(E)-(4-(4-fluorobenzylidene)-2-(hydroxymethyl)-5-oxotetr...","","CCCC(CCC)C(=O)OCC1(CC(=CC2=CC=C(C=C2)F)C(=O)O1)CO","JOCWHXZDPSIDDS-GZTJUZNOSA-N","25053525",NA,"PDBC06203","749713","Present"
-"(E)-(4-Phenylphenyl)-pyrrolidin-1-yl-diazene","","","","","","","","","","","","","","","","","","","","1-[(e)-Biphenyl-4-yldiazenyl]pyrrolidine","","C1CCN(C1)N=NC2=CC=C(C=C2)C3=CC=CC=C3","MRYPNJVMVATAJI-UHFFFAOYSA-N","390399",NA,"PDBC06204","687753","Present"
-"(E)-1,1,1-Trifluoro-2-hydroxy-2-(trifluoromethyl)oct-5-en-4-one","","","","","","","","","","","","","","","","","","","","(E)-1,1,1-Trifluoro-2-hydroxy-2-(trifluoromethyl)oct-5-en-4-one","","CCC=CC(=O)CC(C(F)(F)F)(C(F)(F)F)O","KAEJKTQUZNOPEC-ONEGZZNKSA-N","5908945",NA,"PDBC06205","664270","Present"
-"(E)-1,1,1-Trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxyanilino)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-1,1,1-Trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxyanilino)but-3-en-2-one","","COC1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)F)C=CC(=O)C(F)(F)F","OYICBQFTFJTRHE-ZHACJKMWSA-N","24205123",NA,"PDBC06206","734383","Present"
-"(E)-1,1,1-Trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-1,1,1-Trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)but-3-en-2-one","","C1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)F)C=CC(=O)C(F)(F)F","MNCXUMVMZMFFST-ZHACJKMWSA-N","24204935",NA,"PDBC06207","733480","Present"
-"(E)-1,3-Bis(2,4-dichlorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1,3-Bis(2,4-dichlorophenyl)prop-2-en-1-one","","C1=CC(=C(C=C1Cl)Cl)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","GLTVNVIHTHMZTN-QHHAFSJGSA-N","6285114",NA,"PDBC06208","733135","Present"
-"(E)-1,3-Bis(2-chlorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1,3-Bis(2-chlorophenyl)prop-2-en-1-one","","C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2Cl)Cl","HTFGZLAHCFWVMO-MDZDMXLPSA-N","5388429",NA,"PDBC06209","635964","Present"
-"(E)-1,3-Bis[8-hydroxy-2-methyl-7-(morpholin-4-ylmethyl)quinolin-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1,3-bis[8-hydroxy-2-methyl-7-(4-morpholi...","","CC1=NC2=C(C(=CC(=C2C=C1)C=CC(=O)C3=C4C=CC(=NC4=C(C(=C3)CN5CCOCC5)O)C)CN6CCOCC6)O","JWGAJBKJDQABJN-VMPITWQZSA-N","155807229",NA,"PDBC06210","781671","Present"
-"(E)-1,3-Bis[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1,3-bis[8-hydroxy-7-(4-morpholinylmethyl...","","C1COCCN1CC2=CC(=C3C=CC=NC3=C2O)C=CC(=O)C4=C5C=CC=NC5=C(C(=C4)CN6CCOCC6)O","DZBALAFPGDPONQ-AATRIKPKSA-N","155808951",NA,"PDBC06211","781668","Present"
-"(E)-1,3-Diphenyl-2-(piperidin-1-ylmethyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1,3-Diphenyl-2-(piperidin-1-ylmethyl)prop-2-en-1-one","","C1CCN(CC1)CC(=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3","UBMWIWOZOGGSGI-CAPFRKAQSA-N","6147837",NA,"PDBC06212","109154","Present"
-"(E)-1,4-Dipyrrolidin-1-ylbut-2-ene-1,4-dione","","","","","","","","","","","","","","","","","","","","(E)-1,4-Dipyrrolidin-1-ylbut-2-ene-1,4-dione","","C1CCN(C1)C(=O)C=CC(=O)N2CCCC2","MZYNGCZLDUSQKA-AATRIKPKSA-N","5469016",NA,"PDBC06213","681664","Present"
-"(E)-1,6-Dibromo-7-chloro-3,7-dimethyloct-2-ene","","","","","","","","","","","","","","","","","","","","(E)-1,6-Dibromo-7-chloro-3,7-dimethyloct-2-ene","","CC(=CCBr)CCC(C(C)(C)Cl)Br","GWTGHZSYBJZTTD-SOFGYWHQSA-N","5467632",NA,"PDBC06214","657135","Present"
-"(E)-1,7-Tribromo-3,7-dimethyl-2-octene","","","","","","","","","","","","","","","","","","","","(E)-1,6,7-Tribromo-3,7-dimethyl-2-octene","","CC(=CCBr)CCC(C(C)(C)Br)Br","PXKOESLWITWTLF-SOFGYWHQSA-N","5467862",NA,"PDBC06215","659559","Present"
-"(E)-1-(1,2-Dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(1,2-Dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one","","C1CC2=CC=C(C3=CC=CC1=C23)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]","ADCCWUFZQPMPOJ-AWNIVKPZSA-N","6167610",NA,"PDBC06216","746353","Present"
-"(E)-1-(1,3-Benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(1,3-Benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)O","ZPMFJDRYWAXBPS-XVNBXDOJSA-N","5468260",NA,"PDBC06217","666763","Present"
-"(E)-1-(1,3-Benzodioxol-5-yl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(2-methoxy-5-(3,4,5-t...","","COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC4=C(C=C3)OCO4","HHDHXVJTUINMGH-VMPITWQZSA-N","102593084",NA,"PDBC06218","777187","Present"
-"(E)-1-(1,3-Benzodioxol-5-yl)-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(2-methoxy-5-(1-(3,4,...","","COC1=C(C=C(C=C1)C(=C)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC4=C(C=C3)OCO4","LYZUIPPHPXXKHZ-RMKNXTFCSA-N","155809815",NA,"PDBC06219","780198","Present"
-"(E)-1-(1H-Benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-(2-benzimidazolyl)-3-(4-nitrophenyl)-","","C1=CC=C2C(=C1)NC(=N2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]","SVCFXEJYYFCQDC-JXMROGBWSA-N","5469981",NA,"PDBC06220","695164","Present"
-"(E)-1-(2,4-Dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(2,4-Dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","COC1=CC(=C(C=C1)C(=O)C=CC2=C(C=C(C=C2OC)OC)OC)OC","PIXBMGAQMUKHDT-CMDGGOBGSA-N","16753966",NA,"PDBC06221","751956","Present"
-"(E)-1-(2,4-Dimethoxyphenyl)-3-(2-fluoro-3,4-dihydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(2,4-Dimethoxyphenyl)-3-(2-fluoro-3,4-dihydroxyphenyl)prop-2-en-1-one","","COC1=CC(=C(C=C1)C(=O)C=CC2=C(C(=C(C=C2)O)O)F)OC","GRGRHLRFJBTMHR-XVNBXDOJSA-N","5471283",NA,"PDBC06222","710267","Present"
-"(E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile","","","","","","","","","","","","","","","","","","","","(E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile","","[C-]#[N+]C=CC1=C(C=CC(=C1)O)O","ABVUUDRCDTZFOJ-SNAWJCMRSA-N","5388136",NA,"PDBC06223","632129","Present"
-"(E)-1-(2,5-Dimethoxyphenyl)-3-(2-fluoro-4,5-dihydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(2,5-Dimethoxyphenyl)-3-(2-fluoro-4,5-dihydroxyphenyl)prop-2-en-1-one","","COC1=CC(=C(C=C1)OC)C(=O)C=CC2=CC(=C(C=C2F)O)O","UCLVFWWQFRKWSS-HWKANZROSA-N","5471282",NA,"PDBC06224","710266","Present"
-"(E)-1-(2-(4-Chlorophenyl)-1H-benzoimidazole-1-yl)-3-phenyl-2-propene-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(2-(4-chlorophenyl)-1H-benzo[d]imidazol-1-yl)-3-ph...","","C1=CC=C(C=C1)C=CC(=O)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl","OXQMPUBKBBUVQQ-XNTDXEJSSA-N","122387049",NA,"PDBC06225","773404","Present"
-"(E)-1-(2-(4-Fluorophenylamino)pyridin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(2-((4-fluorophenyl)amino)pyridin-3-yl)-3-(3,4,5-t...","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=C(N=CC=C2)NC3=CC=C(C=C3)F","GPPUORIYPZICIK-IZZDOVSWSA-N","117992568",NA,"PDBC06226","761408","Present"
-"(E)-1-(2-Amino-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(2-Amino-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=C(C=C(C=C2OC)OC)OC)N","FRTWTJRPQYAILQ-VOTSOKGWSA-N","60147636",NA,"PDBC06227","751957","Present"
-"(E)-1-(2-Aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(2-Aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","","C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2N)O","IUQMJWRUXHOYJG-MDZDMXLPSA-N","5917137",NA,"PDBC06228","637445","Present"
-"(E)-1-(2-Chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(2-Chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one","","C1=CC=C(C(=C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)Cl","AOSIKJAEJNYRJB-SOFGYWHQSA-N","5388427",NA,"PDBC06229","635962","Present"
-"(E)-1-(3,2-a]Pyridin-3-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-dimethoxyphenyl)-3-(2-(trifluoromethyl)imidaz...","","COC1=C(C=C(C=C1)C(=O)C=CC2=C(N=C3N2C=CC=C3)C(F)(F)F)OC","ZSKDPZULCCQUAO-BQYQJAHWSA-N","54599698",NA,"PDBC06230","750746","Present"
-"(E)-1-(3,4,5-Trimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4,5-trimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphe...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","ZSGRDEXAWFPNFB-BQYQJAHWSA-N","117928316",NA,"PDBC06231","765812","Present"
-"(E)-1-(3,4,5-Trimethoxyphenyl)-N-[2-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4,5-Trimethoxyphenyl)-N-[2-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine","","COC1=CC(=CC(=C1OC)OC)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC(=C(C(=C5)OC)OC)OC","SWISGOWLODARQI-HZUVFDMRSA-N","54611484",NA,"PDBC06232","708414","Present"
-"(E)-1-(3,4-Dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(3,4-Dichlorophenyl)-3-(2-fluorophenyl)-2-propen-1-one","","C1=CC=C(C(=C1)C=CC(=O)C2=CC(=C(C=C2)Cl)Cl)F","YXJNGRWNHKAJGL-SOFGYWHQSA-N","5387163",NA,"PDBC06233","621374","Present"
-"(E)-1-(3,4-Dichlorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-dichlorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C=C3)Cl)Cl","CBJAKCBIMXUFGA-FNORWQNLSA-N","117928280",NA,"PDBC06234","765804","Present"
-"(E)-1-(3,4-Dichlorophenyl)-5-(diethylamino)-4,4-dimethylpent-1-en-3-one;hydrobromide","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-Dichlorophenyl)-5-(diethylamino)-4,4-dimethylpent-1-en-3-one;hydrobromide","","CCN(CC)CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)Cl)Cl.Br","WEKYMFWIYAKLHB-VRTOBVRTSA-N","6514861",NA,"PDBC06235","601335","Present"
-"(E)-1-(3,4-Dichlorophenyl)-5-(diethylamino)pent-1-en-3-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-Dichlorophenyl)-5-(diethylamino)pent-1-en-3-one","","CCN(CC)CCC(=O)C=CC1=CC(=C(C=C1)Cl)Cl.Cl","PDODDOPOKLMMFI-GZOLSCHFSA-N","5467985",NA,"PDBC06236","661443","Present"
-"(E)-1-(3,4-Dichlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-Dichlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one;hydrochloride","","CC(CN(C)C)C(=O)C=CC1=CC(=C(C=C1)Cl)Cl.Cl","QILMSWIUTNOIMW-GZOLSCHFSA-N","14532213",NA,"PDBC06237","378881","Present"
-"(E)-1-(3,4-Difluorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-difluorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C=C3)F)F","UBQXPKFQGOYNLH-FNORWQNLSA-N","117935827",NA,"PDBC06238","765808","Present"
-"(E)-1-(3,4-Dimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl...","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC)OC","AEKHVVUIZHWELD-BQYQJAHWSA-N","90718192",NA,"PDBC06239","765806","Present"
-"(E)-1-(3,4-Dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(3,4-Dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propene-1-one","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)OC)O","WCFCUJHEHZOPLY-QPJJXVBHSA-N","6039866",NA,"PDBC06240","196539","Present"
-"(E)-1-(3,4-Dimethoxyphenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-(3,4,5-trimet...","","COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC(=C(C=C3)OC)OC","GKLQIKPSQTZDNO-JXMROGBWSA-N","155814704",NA,"PDBC06241","777185","Present"
-"(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)C=CC(=O)C4=CC(=C(C=C4)OC)OC)OC","CKRPKOUXYJQIJF-RPCRKUJJSA-N","5467692",NA,"PDBC06242","657874","Present"
-"(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC","LPURVCWYIMXXEO-GXDHUFHOSA-N","5467966",NA,"PDBC06243","661191","Present"
-"(E)-1-(3,4-Dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidaz...","","COC1=C(C=C(C=C1)C(=O)C=CC2=C(N=C3N2C=CS3)C(F)(F)F)OC","YFHAPMJANPJPAS-SNAWJCMRSA-N","51353472",NA,"PDBC06244","749802","Present"
-"(E)-1-(3,4-Dimethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(3,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one","","COC1=C(C=C(C=C1)C(=O)C=CC2=CN=CC=C2)OC","QHOMUNQVGOCTOP-FNORWQNLSA-N","5468167",NA,"PDBC06245","665695","Present"
-"(E)-1-(3,5-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-phenyl-prop-2-en-1-one","","C1=CC(=CC=C1C=CC(=O)C2=CC(=CC(=C2)O)O)O","KDGCSKXONQBISZ-ZZXKWVIFSA-N","5468168",NA,"PDBC06246","665696","Present"
-"(E)-1-(3,5-Dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,5-Dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one","","COC1=CC=C(C=C1)C=CC(=O)C2=CC(=CC(=C2)OC)OC","WUXJXFIZNJPAMA-RMKNXTFCSA-N","5470362",NA,"PDBC06247","700211","Present"
-"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,3,4-trihydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,3,4-trihydroxyphenyl)prop-2-en-1-one","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=C(C(=C(C=C2)O)O)O","WDIOWUWTQMVHFV-VQHVLOKHSA-N","5471154",NA,"PDBC06248","709098","Present"
-"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=CC3=C(C=C2)OCC3","TTZUNXXUKDXXRF-VQHVLOKHSA-N","5471153",NA,"PDBC06249","709097","Present"
-"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=C(C=CC=C2Cl)Cl","GXXLFVSNHZDRFN-ZHACJKMWSA-N","5471155",NA,"PDBC06250","709099","Present"
-"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=CC(=C(C=C2)OC)OC","ZGFOORMBYRSFFJ-PKNBQFBNSA-N","5471156",NA,"PDBC06251","709100","Present"
-"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one","","CCN(CC)C1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C","UYNVNMBZHPBTDU-DTQAZKPQSA-N","5471159",NA,"PDBC06252","709103","Present"
-"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=CC=C(C=C2)N(C)C","IKNKJIBCKVHFEA-SDNWHVSQSA-N","5471157",NA,"PDBC06253","709101","Present"
-"(E)-1-(3,5-di-tert-butyl-2-hydroxybenzylidene)-2-(6-chlo...","","","","","","","","","","","","","","","","","","","","(E)-1-(3,5-di-tert-butyl-2-hydroxybenzylidene)-2-(6-chlo...","","","","",NA,"PDBC06254","797767","Present"
-"(E)-1-(3-Aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3-Aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one","","C1=CC=C(C(=C1)C=CC(=O)C2=CC(=CC=C2)N)O","OPHLVZKAACFNSN-CMDGGOBGSA-N","5911709",NA,"PDBC06255","636787","Present"
-"(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(2-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(2-nitrophenyl)prop-2-en-1-one","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]","MHRGTPRZPJAAJS-ZHACJKMWSA-N","5387186",NA,"PDBC06256","621482","Present"
-"(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]","VICWOEASAXXUSB-DHZHZOJOSA-N","5387180",NA,"PDBC06257","621476","Present"
-"(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-naphthalen-1-ylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-naphthalen-1-ylprop-2-en-1-one","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC4=CC=CC=C43","CFUUXNKDUDKBRO-BUHFOSPRSA-N","5387182",NA,"PDBC06258","621478","Present"
-"(E)-1-(4-Amino-3-methoxyphenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3-amino-4-methoxyphenyl)-3-(2-methoxy-5-(3,4,5-tr...","","COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC(=C(C=C3)N)OC","TUTYEBIISSVMTG-JXMROGBWSA-N","155811560",NA,"PDBC06259","777186","Present"
-"(E)-1-(4-Aminophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-aminophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-p...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=CC(=O)C3=CC=C(C=C3)N","RJXQMHFIGZSIAG-CMDGGOBGSA-N","117935708",NA,"PDBC06260","774978","Present"
-"(E)-1-(4-Bromophenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Bromophenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one","","CC(C)(CN1CCCCC1)C(=O)C=CC2=CC=C(C=C2)Br.Cl","ROHJPHYFKFPRBR-YGCVIUNWSA-N","6474497",NA,"PDBC06261","653451","Present"
-"(E)-1-(4-Butyramido-1-methyl-2-pyrroleacryloyl)-3-chloromethyl-6-nitroindoline","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Butyramido-1-methyl-2-pyrroleacryloyl)-3-chloro...","","CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C2C=C(C=C3)[N+](=O)[O-])CCl)C","ZDFHNKMHWNQKTB-SOFGYWHQSA-N","5896344",NA,"PDBC06262","691248","Present"
-"(E)-1-(4-Chlorocyclohexyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Chlorocyclohexyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one","","C1CC(CCC1C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)Cl","JZKISJQPHBTNKM-KRXBUXKQSA-N","5388441",NA,"PDBC06263","636123","Present"
-"(E)-1-(4-Chlorophenyl)-3-(2,5-dihydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Chlorophenyl)-3-(2,5-dihydroxyphenyl)prop-2-en-1-one","","C1=CC(=CC=C1C(=O)C=CC2=C(C=CC(=C2)O)O)Cl","TYJUMRBHCGGNFA-XVNBXDOJSA-N","24204424",NA,"PDBC06264","731808","Present"
-"(E)-1-(4-Chlorophenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Chlorophenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=O)C4=CC=C(C=C4)Cl","VMYOGOXDZGRSDC-XNTDXEJSSA-N","46912849",NA,"PDBC06265","747863","Present"
-"(E)-1-(4-Chlorophenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-(4-chlorophenyl)-3-[4-[2-oxo- 2-(4-phe...","","C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)Cl","IVWIVEDYHIYVKO-OVCLIPMQSA-N","5466904",NA,"PDBC06266","645392","Present"
-"(E)-1-(4-Chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)methanimine","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)methanimine","","CC1=NN(C(=C1)N=CC2=CC=C(C=C2)Cl)C3=CC=CC=C3","KCSUMEWPPHIEJL-XDHOZWIPSA-N","9572412",NA,"PDBC06267","715228","Present"
-"(E)-1-(4-Fluorophenyl)-2-[(4-fluorophenyl)methylsulfinyl]-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-2-((4-fluorobenzyl)sulfinyl)-1-(4-fluorophenyl)-3-(4...","","C1=CC(=CC=C1CS(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F)F","ZGSPGJXWHCXPSU-FYJGNVAPSA-N","155814232",NA,"PDBC06268","798973","Present"
-"(E)-1-(4-Fluorophenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-fluorophenyl)-3-(2-methoxy-5-(3,4,5-trimethoxyb...","","COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC=C(C=C3)F","AYAAYAXADGPZHO-YRNVUSSQSA-N","155816266",NA,"PDBC06269","780196","Present"
-"(E)-1-(4-Fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)methanimine","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)methanimine","","CC1=NN(C(=C1)N=CC2=CC=C(C=C2)F)C3=CC=CC=C3","CZLVXDRSBBKPRZ-XDHOZWIPSA-N","9572410",NA,"PDBC06270","715226","Present"
-"(E)-1-(4-Hydroxyphenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-hydroxyphenyl)-3-(2-methoxy-5-(3,4,5-trimethoxy...","","COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC=C(C=C3)O","SUDDSSVWGPNPSK-YRNVUSSQSA-N","155805339",NA,"PDBC06271","780175","Present"
-"(E)-1-(4-Methoxyphenyl)-3-(2-(3,4,5-trimethoxyphenylamino)pyridin-3-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-methoxyphenyl)-3-(2-(3,4,5-trimethoxyphenylamin...","","COC1=CC=C(C=C1)C(=O)C=CC2=C(N=CC=C2)NC3=CC(=C(C(=C3)OC)OC)OC","HDVQKRINGPEGTH-FMIVXFBMSA-N","117992367",NA,"PDBC06272","761400","Present"
-"(E)-1-(4-Methoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-methoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H...","","COC1=CC=C(C=C1)C(=O)C=CC2=CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC","KTLWTBCMOLZHJJ-JXMROGBWSA-N","117928187",NA,"PDBC06273","765802","Present"
-"(E)-1-(4-Methoxyphenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl)-1-(4...","","COC1=CC=C(C=C1)C(=O)C=CC2=C(C=CC(=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC","NUOYKVBQFPQQAH-XYOKQWHBSA-N","155811559",NA,"PDBC06274","777182","Present"
-"(E)-1-(4-Methoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Methoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one","","COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)OC","OUMTYXXUWYLGOM-CMNXJCJSSA-N","5467689",NA,"PDBC06275","657871","Present"
-"(E)-1-(4-Methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-(4-methoxyphenyl)-3-[4-[2-oxo- 2-(4-ph...","","COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4","AFCHMPVIQWGBKF-CXUHLZMHSA-N","5466905",NA,"PDBC06276","645393","Present"
-"(E)-1-(4-Methoxyphenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-4,4-dimethyl-5-(1-piperidino)pent-1-en-3-one hydrochloride","","CC(C)(CN1CCCCC1)C(=O)C=CC2=CC=C(C=C2)OC.Cl","ZBJYOBKCXSSIRU-NBYYMMLRSA-N","6474494",NA,"PDBC06277","640683","Present"
-"(E)-1-(4-Methoxyphenyl)-N-[2-[(E)-(4-methoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Methoxyphenyl)-N-[2-[(E)-(4-methoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine","","COC1=CC=C(C=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC=C(C=C5)OC","VJQGILXUPVSKNF-BKHCZYBLSA-N","54611474",NA,"PDBC06278","708410","Present"
-"(E)-1-(5-Chloro-2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(5-Chloro-2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one","","C1=CC(=C(C=C1Cl)C(=O)C=CC2=CC=NC=C2)O","OXGJWTBAFKSYOI-HNQUOIGGSA-N","5357374",NA,"PDBC06279","76175","Present"
-"(E)-1-(5-Nitro-1-benzothiophen-2-yl)-N-pyridin-2-ylmethanimine","","","","","","","","","","","","","","","","","","","","(E)-1-(5-Nitro-1-benzothiophen-2-yl)-N-pyridin-2-ylmethanimine","","C1=CC=NC(=C1)N=CC2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]","RPDWXMADVIISHR-CXUHLZMHSA-N","9572323",NA,"PDBC06280","711820","Present"
-"(E)-1-(6,7-Dimethoxynaphthalen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(6,7-Dimethoxynaphthalen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC3=CC(=C(C=C3C=C2)OC)OC)OC","NEHAEPDYYDEXLS-WEVVVXLNSA-N","5960250",NA,"PDBC06281","208761","Present"
-"(E)-1-(6-Hydroxy-4-methoxybenzofuran-5-yl)-3-(2-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(6-hydroxy-4-methoxybenzofuran-5-yl)-3-(2-methoxyp...","","COC1=CC=CC=C1C=CC(=O)C2=C(C3=C(C=C2O)OC=C3)OC","GADCYFCQKORMDY-BQYQJAHWSA-N","12211442",NA,"PDBC06282","753616","Present"
-"(E)-1-(6-Hydroxy-4-methoxybenzofuran-5-yl)-3-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(6-hydroxy-4-methoxybenzofuran-5-yl)-3-phenylprop-...","","COC1=C(C(=CC2=C1C=CO2)O)C(=O)C=CC3=CC=CC=C3","SPFCYLTZEFTMIM-BQYQJAHWSA-N","11403645",NA,"PDBC06283","753613","Present"
-"(E)-1-(7-Allyl-6-hydroxy-4-methoxybenzofuran-5-yl)-3-(4-chlorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(7-allyl-6-hydroxy-4-methoxybenzofuran-5-yl)-3-(4-...","","COC1=C(C(=C(C2=C1C=CO2)CC=C)O)C(=O)C=CC3=CC=C(C=C3)Cl","SGVILUCOLMBNRG-JXMROGBWSA-N","60148097",NA,"PDBC06284","753626","Present"
-"(E)-1-(7-Allyl-6-hydroxy-4-methoxybenzofuran-5-yl)-3-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(7-allyl-6-hydroxy-4-methoxybenzofuran-5-yl)-3-phe...","","COC1=C(C(=C(C2=C1C=CO2)CC=C)O)C(=O)C=CC3=CC=CC=C3","KRLZLQNOPXJCGA-ZHACJKMWSA-N","23659410",NA,"PDBC06285","753625","Present"
-"(E)-1-(7-Chloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(7-Chloro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,5...","","CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","UHGXZCLNRISHHZ-VMPITWQZSA-N","54612661",NA,"PDBC06286","741739","Present"
-"(E)-1-(7-Methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(7-Methoxy-3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,...","","CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","ZJKRIDXDXHXKQI-RMKNXTFCSA-N","54612660",NA,"PDBC06287","741738","Present"
-"(E)-1-(Benzenesulfonyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(Benzenesulfonyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=CC(=O)S(=O)(=O)C4=CC=CC=C4","NPZXBSTZHWCMAY-FOCLMDBBSA-N","54613416",NA,"PDBC06288","749193","Present"
-"(E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3-(3,4,5-trimethoxyp...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=CC(=O)C3=CC4=C(C=C3)OCO4","PTAVIMHKSPJEHM-AATRIKPKSA-N","117928007",NA,"PDBC06289","765805","Present"
-"(E)-1-(Diethylamino)-4-(4-methylphenyl)but-3-en-2-one;hydrobromide","","","","","","","","","","","","","","","","","","","","(E)-1-(Diethylamino)-4-(4-methylphenyl)but-3-en-2-one;hydrobromide","","CCN(CC)CC(=O)C=CC1=CC=C(C=C1)C.Br","WLOYBHAFQRLAPB-ASTDGNLGSA-N","5386925",NA,"PDBC06290","618763","Present"
-"(E)-1-(Furan-2-yl)-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine","","","","","","","","","","","","","","","","","","","","(E)-1-(Furan-2-yl)-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine","","CCCSC1=CC2=C(C=C1)NC(=C2)N=CC3=CC=CO3","XXJZMLLUAMMNPN-GZTJUZNOSA-N","9572435",NA,"PDBC06291","716175","Present"
-"(E)-1-(Propylamino)-4-trimethylsilylbut-3-en-2-ol;(E)-2-(propylamino)-4-trimethylsilylbut-3-en-1-ol","","","","","","","","","","","","","","","","","","","","(E)-1-(Propylamino)-4-trimethylsilylbut-3-en-2-ol;(E)-2-(propylamino)-4-trimethylsilylbut-3-en-1-ol","","CCCNCC(C=C[Si](C)(C)C)O.CCCNC(CO)C=C[Si](C)(C)C","BPGMNFZIQAHGPH-QBIWIAABSA-N","5386735",NA,"PDBC06292","617377","Present"
-"(E)-1-Diethoxyphosphoryl-1-fluoro-prop-1-ene","","","","","","","","","","","","","","","","","","","","(E)-1-Diethoxyphosphoryl-1-fluoro-prop-1-ene","","CCOP(=O)(C(=CC)F)OCC","STGVFUAXZNHPQW-QPJJXVBHSA-N","6277641",NA,"PDBC06293","682312","Present"
-"(E)-1-Methyl-N-[(E)-(1-methylquinolin-4-ylidene)amino]quinolin-4-imine","","","","","","","","","","","","","","","","","","","","(E)-1-Methyl-N-[(E)-(1-methylquinolin-4-ylidene)amino]quinolin-4-imine","","CN1C=CC(=NN=C2C=CN(C3=CC=CC=C23)C)C4=CC=CC=C41","NZJOSTCMDPAPOD-KSTNYAOJSA-N","9569316",NA,"PDBC06294","306843","Present"
-"(E)-1-Naphthalen-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-Naphthalen-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=CC3=CC=CC=C32","GJAIIBGSTCBLNH-VAWYXSNFSA-N","5387164",NA,"PDBC06295","621375","Present"
-"(E)-1-Phenyl-5-(1-piperidyl)pent-1-en-3-one","","","","","","","","","","","","","","","","","","","","(E)-1-Phenyl-5-(1-piperidyl)pent-1-en-3-one","","C1CCN(CC1)CCC(=O)C=CC2=CC=CC=C2.Cl","CHQQONIQHPVQCU-RRABGKBLSA-N","6474476",NA,"PDBC06296","659757","Present"
-"(E)-1-Phenyl-N-(5-phenylsulfanyl-1H-indol-2-yl)methanimine","","","","","","","","","","","","","","","","","","","","(E)-1-Phenyl-N-(5-phenylsulfanyl-1H-indol-2-yl)methanimine","","C1=CC=C(C=C1)C=NC2=CC3=C(N2)C=CC(=C3)SC4=CC=CC=C4","UMEOQAFFXDDTCT-PXLXIMEGSA-N","9572432",NA,"PDBC06297","716167","Present"
-"(E)-1-Phenyl-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine","","","","","","","","","","","","","","","","","","","","(E)-1-Phenyl-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine","","CCCSC1=CC2=C(C=C1)NC(=C2)N=CC3=CC=CC=C3","IGTSZAJEOCVKOL-CPNJWEJPSA-N","9572434",NA,"PDBC06298","716174","Present"
-"(E)-1-Thiophen-2-yl-N-[2-[(E)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine","","","","","","","","","","","","","","","","","","","","(E)-1-Thiophen-2-yl-N-[2-[(E)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine","","C1=CSC(=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC=CS5","NDNKFNPDNUOMQH-LQGKIZFRSA-N","54611488",NA,"PDBC06299","708412","Present"
-"(E)-1-[(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(E)-1-[(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol","","CC(C)(C)CN1C2CCCCC2N(P1(=O)C(C=CC3=CC=CC=C3)O)CC(C)(C)C","NDTHCMGNBOFWJN-XKXLLCLJSA-N","5470791",NA,"PDBC06300","705136","Present"
-"(E)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(E)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol","","C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)O)CC5=CC=CC=C5","LCGHCZJGXFVGPA-VZBMMBHISA-N","5470793",NA,"PDBC06301","705139","Present"
-"(E)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]but-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(E)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]but-2-en-1-ol","","CC=CC(O)P1(=O)N(C2CCCCC2N1CC3=CC=CC=C3)CC4=CC=CC=C4","SLBARQYLDGYTRZ-SZSMSUKISA-N","5470795",NA,"PDBC06302","705142","Present"
-"(E)-1-[(3Ar,7aR)-1,3-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(E)-1-[(3Ar,7aR)-1,3-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol","","CN1C2CCCCC2N(P1(=O)C(C=CC3=CC=CC=C3)O)C","MLQZFJNQVLAFKP-ZJGXIMJYSA-N","5470792",NA,"PDBC06303","705138","Present"
-"(E)-1-[(3Ar,7aR)-2-oxo-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[(3Ar,7aR)-2-oxo-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-one","","CC(C)N1C2CCCCC2N(P1(=O)C(=O)C=CC3=CC=CC=C3)C(C)C","VNUQDLGNOLYNBK-ICQOZSIZSA-N","5471631",NA,"PDBC06304","712302","Present"
-"(E)-1-[(4R,5R)-1,3-Dibenzyl-2-oxo-4,5-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(E)-1-[(4R,5R)-1,3-Dibenzyl-2-oxo-4,5-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol","","C1=CC=C(C=C1)CN2C(C(N(P2(=O)C(C=CC3=CC=CC=C3)O)CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","HQXVTGDUFBXCFS-VNOLPKDCSA-N","5470796",NA,"PDBC06305","705149","Present"
-"(E)-1-[(4S,5S)-1,3-Dibenzyl-4,5-dimethyl-2-oxo-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(E)-1-[(4S,5S)-1,3-Dibenzyl-4,5-dimethyl-2-oxo-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol","","CC1C(N(P(=O)(N1CC2=CC=CC=C2)C(C=CC3=CC=CC=C3)O)CC4=CC=CC=C4)C","WHGWSLXYUJVQOT-XNPOJZGPSA-N","5471630",NA,"PDBC06306","712301","Present"
-"(E)-1-[1-(2-Phenyl-2-oxoethyl)-1H-benzimidazol-2-yl]-3-(3,4-dichlorophenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[1-(2-Phenyl-2-oxoethyl)-1H-benzimidazol-2-yl]-3-(3,4-dichlorophenyl)-2-propen-1-one","","C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C=CC4=CC(=C(C=C4)Cl)Cl","ONUIHJFMCZNDKZ-ACCUITESSA-N","5471207",NA,"PDBC06307","709469","Present"
-"(E)-1-[1-Ethyl-4-[(E)-2-(4-ethylphenyl)ethenyl]-4-hydroxypiperidin-3-yl]-3-(4-ethylphenyl)prop-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-[1-ethyl-4-[2-(4-ethylphenyl)ethenyl]-...","","CCC1=CC=C(C=C1)C=CC(=O)C2CN(CCC2(C=CC3=CC=C(C=C3)CC)O)CC.Cl","XJDPAUYFONOZBC-DCPGAFKKSA-N","5468964",NA,"PDBC06308","680342","Present"
-"(E)-1-[1-Ethyl-4-hydroxy-4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(E)-1-[1-Ethyl-4-hydroxy-4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one;hydrochloride","","CCN1CCC(C(C1)C(=O)C=CC2=CC=CC=C2C)(C=CC3=CC=CC=C3C)O.Cl","UWYZZQIQBKJPGD-CKUBSENYSA-N","5469087",NA,"PDBC06309","682874","Present"
-"(E)-1-[1-[2-(4-Chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-furyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[1-[2-(4-Chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-furyl)prop-2-en-1-one","","C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)C=CC4=CC=CO4","HBMIPQUAAYBAAT-VAWYXSNFSA-N","5471213",NA,"PDBC06310","709475","Present"
-"(E)-1-[1-[2-(4-Chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[1-[2-(4-Chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one","","C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)C=CC4=CC=CS4","IGVSFSRTEDAOEU-VAWYXSNFSA-N","5471215",NA,"PDBC06311","709477","Present"
-"(E)-1-[1-[2-Oxo-2-(p-tolyl)ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[1-[2-Oxo-2-(p-tolyl)ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one","","CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C=CC4=CC=CS4","NJMCVXJOTKMQFD-OUKQBFOZSA-N","5471214",NA,"PDBC06312","709476","Present"
-"(E)-1-[2,4-Dihydroxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenyl-prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[2,4-Dihydroxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenyl-prop-2-en-1-one","","C1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2O)O)C(=O)C=CC3=CC=CC=C3","CAAJXTJDBCGUNB-PHEQNACWSA-N","5937788",NA,"PDBC06313","668412","Present"
-"(E)-1-[2,6-Dihydroxy-3-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[2,6-Dihydroxy-3-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one","","COC1=C(C(=C(C(=C1)O)C(=O)C=CC2=CC=C(C=C2)O)O)C3CC(OC(C3)C4=CC=C(C=C4)O)CCC5=CC=C(C=C5)O","FWVZNVJOZVWMHI-VKTVXKIRSA-N","45028009",NA,"PDBC06314","740600","Present"
-"(E)-1-[2-(1H-Indol-3-yl)indolin-1-yl]-2,3-diphenyl-prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[2-(1H-Indol-3-yl)indolin-1-yl]-2,3-diphenyl-prop-2-en-1-one","","C1C(N(C2=CC=CC=C21)C(=O)C(=CC3=CC=CC=C3)C4=CC=CC=C4)C5=CNC6=CC=CC=C65","KHXLHKWBDXAZSK-LGUFXXKBSA-N","5388203",NA,"PDBC06315","633483","Present"
-"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC(=C(C=C5)O)OC","ZZNSOJTZSARKIF-JQIJEIRASA-N","6055758",NA,"PDBC06316","640582","Present"
-"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)OC","APGCCQBKJYTXGG-OBGWFSINSA-N","5938867",NA,"PDBC06317","640588","Present"
-"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-[4-[(E)-3-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-oxo-prop-1-enyl]phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-[4-[(E)-3-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)C=CC(=O)C6=C(N=C(S6)N7C(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C","SSUPTICDFNZWRP-QAVVBOBSSA-N","5796837",NA,"PDBC06318","640557","Present"
-"(E)-1-[2-(4-Chlorophenyl)-1-[(E)-methoxyiminomethyl]pyrrolo[2,1-b][1,3]benzothiazol-3-yl]-N-methoxymethanimine","","","","","","","","","","","","","","","","","","","","(E)-1-[2-(4-Chlorophenyl)-1-[(E)-methoxyiminomethyl]pyrrolo[2,1-b][1,3]benzothiazol-3-yl]-N-methoxymethanimine","","CON=CC1=C2N(C3=CC=CC=C3S2)C(=C1C4=CC=C(C=C4)Cl)C=NOC","CBSDSQLPBTXHDP-LCHFAGMQSA-N","9572135",NA,"PDBC06319","704594","Present"
-"(E)-1-[3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-chlorophenyl)prop-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(E)-1-[3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-chlorophenyl)prop-2-en-1-one;hydrochloride","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)Cl.Cl","KIYNOZWFXWFNMV-HCUGZAAXSA-N","6519102",NA,"PDBC06320","677785","Present"
-"(E)-1-[3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-fluorophenyl)prop-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(E)-1-[3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-fluorophenyl)prop-2-en-1-one;hydrochloride","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)F.Cl","MEIDDOJVCKAUCZ-HCUGZAAXSA-N","6519110",NA,"PDBC06321","677793","Present"
-"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=CC=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5","DEQCTNXIALLGKH-ISLYRVAYSA-N","45028636",NA,"PDBC06322","743530","Present"
-"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one","","COC1=CC=CC(=C1)C=CC(=O)C2=CC(=CC=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5","GANVVABKWTZOKK-VHEBQXMUSA-N","45028634",NA,"PDBC06323","743528","Present"
-"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(4-nitrophenyl)prop-2-en-1-one","","C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C5","IYLIVTCUZWVWAS-KNTRCKAVSA-N","45028635",NA,"PDBC06324","743529","Present"
-"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one","","C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)C=CC4=CC=CO4)NC5=CC=CC=C5","XSPWDVOYSALMLJ-WUKNDPDISA-N","45028638",NA,"PDBC06325","743532","Present"
-"(E)-1-[4-(1H-Benzimidazol-2-ylmethylamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-(1H-Benzimidazol-2-ylmethylamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one","","C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)C=CC4=CC=C(C=C4)Br","QRXHNKAPDYEQSJ-VGOFMYFVSA-N","5839697",NA,"PDBC06326","645070","Present"
-"(E)-1-[4-(1H-Benzimidazol-2-ylmethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-(1H-Benzimidazol-2-ylmethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one","","C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]","ZTGCXJWWCMAREW-VGOFMYFVSA-N","5835134",NA,"PDBC06327","645072","Present"
-"(E)-1-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","(E)-1-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one;(Z)-but-2-enedioic acid","","C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC(=CC=C4)Br.C(=CC(=O)O)C(=O)O","MWGLULSRKAXKBJ-YJBXQRLDSA-N","5471052",NA,"PDBC06328","707829","Present"
-"(E)-1-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","(E)-1-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one;(Z)-but-2-enedioic acid","","C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-].C(=CC(=O)O)C(=O)O","LGFNFMBOXAAHLV-YJBXQRLDSA-N","5471048",NA,"PDBC06329","707826","Present"
-"(E)-1-[4-(Quinazolin-4-ylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","E)-1-(4-(quinazolin-4-ylamino)phenyl)-3-(2,4,6-trimethox...","","COC1=CC(=C(C(=C1)OC)C=CC(=O)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43)OC","QQLYYNYDAOUNJE-OUKQBFOZSA-N","155816064",NA,"PDBC06330","760015","Present"
-"(E)-1-[4-Methyl-2-(3-pyridyl)thiazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-Methyl-2-(3-pyridyl)thiazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one","","CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]","NIZBFYLGJDSPQW-BQYQJAHWSA-N","5917656",NA,"PDBC06331","640569","Present"
-"(E)-1-[4-Methyl-2-(3-pyridyl)thiazol-5-yl]-3-(p-tolyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-Methyl-2-(3-pyridyl)thiazol-5-yl]-3-(p-tolyl)prop-2-en-1-one","","CC1=CC=C(C=C1)C=CC(=O)C2=C(N=C(S2)C3=CN=CC=C3)C","DQVSOUAMHBJMKT-MDZDMXLPSA-N","5783473",NA,"PDBC06332","640579","Present"
-"(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]thiazol-2-yl]thiazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-one","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]","QCWZBSFMTXYXNZ-FNCQTZNRSA-N","5466743",NA,"PDBC06333","642073","Present"
-"(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-3-(p-tolyl)prop-2-enoyl]thiazol-2-yl]thiazol-5-yl]-3-(p-tolyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-3-(4-methylphenyl)prop-2-en-1-one","","CC1=CC=C(C=C1)C=CC(=O)C2=C(N=C(S2)C3=NC(=C(S3)C(=O)C=CC4=CC=C(C=C4)C)C)C","GVTZGBOVXHXOOH-WXUKJITCSA-N","6309658",NA,"PDBC06334","640573","Present"
-"(E)-1-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-[4-(diethylamino)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-[4-(diethylamino)phenyl]prop-2-en-1-one","","CCN(CC)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5","BSDWIIDHZIPBNX-JJIBRWJFSA-N","45028639",NA,"PDBC06335","743533","Present"
-"(E)-1-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one","","COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl","PVQLLQJHKXURGF-YIXHJXPBSA-N","13432181",NA,"PDBC06336","743863","Present"
-"(E)-1-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one","","C1=COC(=C1)C=CC(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl","BJPFCFLSWWNGTD-CSKARUKUSA-N","42631501",NA,"PDBC06337","743864","Present"
-"(E)-1-[4-[(E)-4,4-Dimethyl-3-oxo-5-piperidin-1-ylpent-1-enyl]phenyl]-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-one;hydrobromide","","","","","","","","","","","","","","","","","","","","4-Penten-3-one, 5,5'-(1,4-phenylenbis)bis[2,2-dimethyl- ...","","CC(C)(CN1CCCCC1)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C(C)(C)CN3CCCCC3.Br","CBFUQBRXHGADNJ-UZQGXGHZSA-N","5386918",NA,"PDBC06338","618759","Present"
-"(E)-1-[4-[(E)-4,4-Dimethyl-5-morpholin-4-yl-3-oxopent-1-enyl]phenyl]-4,4-dimethyl-5-morpholin-4-ylpent-1-en-3-one;hydrobromide","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[(E)-4,4-Dimethyl-5-morpholin-4-yl-3-oxopent-1-enyl]phenyl]-4,4-dimethyl-5-morpholin-4-ylpent-1-en-3-one;hydrobromide","","CC(C)(CN1CCOCC1)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C(C)(C)CN3CCOCC3.Br","AWXBHZLZIQQFAX-NVUWAARKSA-N","5386920",NA,"PDBC06339","618760","Present"
-"(E)-1-[4-[2-(2-Methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-{4-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethoxy]-phenyl}...","","CC1=NC=C(N1CCOC2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]","IEUDPVDJQIIPAH-NYYWCZLTSA-N","90670633",NA,"PDBC06340","771761","Present"
-"(E)-1-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one","","C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]","WBKIEXXYWOAONG-LZWSPWQCSA-N","5471054",NA,"PDBC06341","707832","Present"
-"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one","","COC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","AJLRONSNHPYIBF-UFWORHAWSA-N","24205906",NA,"PDBC06342","737225","Present"
-"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","IKFBUWZZHKQZNK-HAVNEIBRSA-N","24205912",NA,"PDBC06343","737231","Present"
-"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-chlorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-chlorophenyl)prop-2-en-1-one","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F)Cl","JPLIGKVFUJUHFF-JFQJCAQQSA-N","24205903",NA,"PDBC06344","737222","Present"
-"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one","","COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","PPPUHSFDOMOMIT-RMOCHZDMSA-N","24205905",NA,"PDBC06345","737224","Present"
-"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one","","C1=COC(=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","CNLZMDBMHWVACB-FOCLMDBBSA-N","24205907",NA,"PDBC06346","737226","Present"
-"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","","CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","NRYHMYBLOQYPEX-DENHBWNVSA-N","24205910",NA,"PDBC06347","737229","Present"
-"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-thiophen-2-ylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-thiophen-2-ylprop-2-en-1-one","","C1=CSC(=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","SVPBWZCDXROTPM-FOCLMDBBSA-N","24205908",NA,"PDBC06348","737227","Present"
-"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F","IIYURFKXYHGPOW-HAVNEIBRSA-N","45028714",NA,"PDBC06349","743883","Present"
-"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one","","COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F","WTECLSBGIVRQJG-RMOCHZDMSA-N","45028711",NA,"PDBC06350","743880","Present"
-"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one","","C1=COC(=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F","WCKRDZCXIZQRIQ-FOCLMDBBSA-N","45028716",NA,"PDBC06351","743885","Present"
-"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one","","CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F","FYAVSCQPISVICA-DENHBWNVSA-N","45028715",NA,"PDBC06352","743884","Present"
-"(E)-1-[4-[[4-Anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[4-[[4-Anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=C(C=C5)Cl","FOZYRWLBSFCSDA-GIJQJNRQSA-N","54613477",NA,"PDBC06353","749379","Present"
-"(E)-1-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-[5-[(Z)-3-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-2-methylpyrazol-3-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-[5-[(Z)-3-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-2-methylpyrazol-3-yl]prop-2-en-1-one","","CN1C(=CC(=N1)C=CC(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl)C=CC(=O)N5CC(C6=C5C=C(C7=CC=CC=C76)N)CCl","POHRJBWHCNNYHG-PJABCKPXSA-N","5470438",NA,"PDBC06354","701746","Present"
-"(E)-2,3',3,4,4',5'-Hexamethoxystilbene","","","","","","","","","","","","","","","","","","","","4-[2-(3,4,5-Trimethoxyphenyl)Ethenyl]-1,2,3-Trimethoxy B...","","COC1=C(C(=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC)OC","BZNYPVQQNQLMKZ-BQYQJAHWSA-N","5388064",NA,"PDBC06355","631364","Present"
-"(E)-2,3-Bis(2-thienyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","NSC607882","","C1=CSC(=C1)C=C(C#N)C2=CC=CS2","OXJZQVOOGYHIQG-CLFYSBASSA-N","5386356",NA,"PDBC06356","607882","Present"
-"(E)-2,3-Dichloro-3-[3-(trifluoromethyl)anilino]prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-2,3-Dichloro-3-[3-(trifluoromethyl)anilino]prop-2-enoic acid","","C1=CC(=CC(=C1)NC(=C(C(=O)O)Cl)Cl)C(F)(F)F","AISQOJWVNQUKDI-FPLPWBNLSA-N","3003999",NA,"PDBC06357","622374","Present"
-"(E)-2,3-Dichloro-4-oxo-4-(2,3,4-trichloroanilino)but-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-2,3-Dichloro-4-oxo-4-(2,3,4-trichloroanilino)but-2-enoic acid","","C1=CC(=C(C(=C1NC(=O)C(=C(C(=O)O)Cl)Cl)Cl)Cl)Cl","VRNQMFCNEGRPNK-BQYQJAHWSA-N","3004000",NA,"PDBC06358","622375","Present"
-"(E)-2,4-Diphenylbut-3-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-2,4-Diphenylbut-3-enoic acid","","C1=CC=C(C=C1)C=CC(C2=CC=CC=C2)C(=O)O","XDCWKTVDGLXVME-VAWYXSNFSA-N","5458329",NA,"PDBC06359","154652","Present"
-"(E)-2-(1,3-Benzoxazol-2-yl)-3-pyridin-2-ylprop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-(1,3-Benzoxazol-2-yl)-3-pyridin-2-ylprop-2-enenitrile","","C1=CC=C2C(=C1)N=C(O2)C(=CC3=CC=CC=N3)C#N","SWGJCVDRRFTLLF-PKNBQFBNSA-N","24206037",NA,"PDBC06360","737749","Present"
-"(E)-2-(1,3-Benzoxazol-2-yl)-3-thiophen-3-ylprop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-(1,3-Benzoxazol-2-yl)-3-thiophen-3-ylprop-2-enenitrile","","C1=CC=C2C(=C1)N=C(O2)C(=CC3=CSC=C3)C#N","KHMHPBZCARGSGC-YRNVUSSQSA-N","24206036",NA,"PDBC06361","737747","Present"
-"(E)-2-(1H Benzo[d]imidazol-2-yl)-3,5,6 tetrachloro-N'-cinnamoylbenzohydrazide","","","","","","","","","","","","","","","","","","","","(E)-2-(1H benzo[d]imidazol-2-yl)-3,4,5,6 tetrachloro-N'-...","","C1=CC=C(C=C1)C=CC(=O)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3","HYAHHJBISOQGQT-ZHACJKMWSA-N","5472127",NA,"PDBC06362","716356","Present"
-"(E)-2-(2,5-Dihydroxystyryl)-3-(2-methyl-4-(phenylethynyl)phenyl)quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","(E)-2-(2,5-dihydroxystyryl)-3-(2-methyl-4-(phenylethynyl...","","CC1=C(C=CC(=C1)C#CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C=CC5=C(C=CC(=C5)O)O","DMMHMNDXRPIVSC-NBVRZTHBSA-N","136040185",NA,"PDBC06363","754031","Present"
-"(E)-2-(2-Amino-4,5-dimethylfuran-3-yl)sulfonyl-3-(2-nitrophenyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-(2-Amino-4,5-dimethylfuran-3-yl)sulfonyl-3-(2-nitrophenyl)prop-2-enenitrile","","CC1=C(OC(=C1S(=O)(=O)C(=CC2=CC=CC=C2[N+](=O)[O-])C#N)N)C","TYPFFBZNFRGXRK-KPKJPENVSA-N","5470592",NA,"PDBC06364","703176","Present"
-"(E)-2-(2-Chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enal","","","","","","","","","","","","","","","","","","","","(E)-2-(2-Chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enal","","C[Si](C)(C)C=CCCC(CCCl)(C=O)C1=CC=CC=C1","KRJQZXNTVHDNCC-RIYZIHGNSA-N","5386742",NA,"PDBC06365","617416","Present"
-"(E)-2-(3,4-Dihydroxybenzoyl)-3-(1H-indol-5-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","2-Propenenitrile, 3-(1H-indol-5-yl)- 2-[(3,4-dihydroxybe...","","C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=O)C3=CC(=C(C=C3)O)O","TWEQSBKXFOZXRA-RIYZIHGNSA-N","5329274",NA,"PDBC06366","650933","Present"
-"(E)-2-(3-Hydroxy-5-(4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","(E)-2-(3-Hydroxy-5-(4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol","","C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O","HSTZMXCBWJGKHG-OWOJBTEDSA-N","5470020",NA,"PDBC06367","696477","Present"
-"(E)-2-(4-Bromophenyl)-3-chloro-3-(3,4-dimethoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-2-(4-Bromophenyl)-3-chloro-3-(3,4-dimethoxyphenyl)prop-2-enal","","COC1=C(C=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)Br)Cl)OC","ATTBXMTYAFPUED-VKAVYKQESA-N","5387401",NA,"PDBC06368","623180","Present"
-"(E)-2-(4-Chlorobenzoyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-(4-Chlorobenzoyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]prop-2-enenitrile","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C(C#N)C(=O)C3=CC=C(C=C3)Cl","OMOPKZIXVZVNIC-DTQAZKPQSA-N","3005260",NA,"PDBC06369","687554","Present"
-"(E)-2-(4-Hydroxystyryl)-3-(2-methyl-4-(phenylethynyl)phenyl)quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","(E)-2-(4-hydroxystyryl)-3-(2-methyl-4-(phenylethynyl)phe...","","CC1=C(C=CC(=C1)C#CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C=CC5=CC=C(C=C5)O","OICMQQKXARGIKA-CAPFRKAQSA-N","136040184",NA,"PDBC06370","754027","Present"
-"(E)-2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E) 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2...","","COC1=CC=C(C=C1)C(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)O","HYACEYXDOWOHIZ-OQLLNIDSSA-N","5388751",NA,"PDBC06371","638406","Present"
-"(E)-2-(5,6-Difluorobenzotriazol-1-yl)-3-(4-methylphenyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-(5,6-difluoro-1H-benzo[d][1,2,3]triazol-1-yl)-3-p-...","","CC1=CC=C(C=C1)C=C(C#N)N2C3=CC(=C(C=C3N=N2)F)F","FZAWNBOEFFZPNZ-WUXMJOGZSA-N","155817098",NA,"PDBC06372","801430","Present"
-"(E)-2-(Benzenesulfonyl)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-2-(Benzenesulfonyl)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","ZQMSEHYDJXANGC-NHFJDJAPSA-N","54613202",NA,"PDBC06373","749025","Present"
-"(E)-2-(Benzenesulfonyl)-3-(2-chlorophenyl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-2-(Benzenesulfonyl)-3-(2-chlorophenyl)prop-2-enoic acid","","C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=CC=C2Cl)C(=O)O","MKBJBCHFVNPXSA-GXDHUFHOSA-N","5387873",NA,"PDBC06374","629032","Present"
-"(E)-2-(Benzenesulfonyl)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-(Benzenesulfonyl)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)prop-2-enenitrile","","COC1=CC2=C(C=C1)NC(=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4","HSPBJSUJBJNRBC-HMMYKYKNSA-N","54612753",NA,"PDBC06375","748872","Present"
-"(E)-2-(Benzenesulfonyl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-(Benzenesulfonyl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile","","COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)S(=O)(=O)C4=CC=CC=C4","LCQBUMMTVSXTTG-HMMYKYKNSA-N","54612752",NA,"PDBC06376","748871","Present"
-"(E)-2-(Benzenesulfonyl)-3-[5-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-(Benzenesulfonyl)-3-[5-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile","","COC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)OC)C=C(C#N)S(=O)(=O)C4=CC=CC=C4","JULDFNIAYCOYRE-RCCKNPSSSA-N","54612754",NA,"PDBC06377","748873","Present"
-"(E)-2-Amino-2-methyl-4-phenylbut-3-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-2-Amino-2-methyl-4-phenylbut-3-enoic acid","","CC(C=CC1=CC=CC=C1)(C(=O)O)N","CUDFQKSZEIHDPO-BQYQJAHWSA-N","5458756",NA,"PDBC06378","337629","Present"
-"(E)-2-Benzyl-2-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]pent-3-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Benzyl-2-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]pent-3-enenitrile","","CC=CC(CC1=CC=CC=C1)(C#N)OP2(=O)N(C(C(O2)C3=CC=CC=C3)C)C","FSDJJEDUCMSVDH-SYZQJQIISA-N","5471496",NA,"PDBC06379","711759","Present"
-"(E)-2-Chlorozeatin","","","","","","","","","","","","","","","","","","","","(E)-2-Chlorozeatin","","CC(=CCNC1=NC(=NC2=C1NC=N2)Cl)CO","JABZKUYIOASMRH-QHHAFSJGSA-N","5785807",NA,"PDBC06380","672185","Present"
-"(E)-2-Cyano-3-(2,3-dihydroxyphenyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-2-Cyano-3-(2,3-dihydroxyphenyl)prop-2-enamide","","C1=CC(=C(C(=C1)O)O)C=C(C#N)C(=O)N","RNKOYWSNFNFFMS-QPJJXVBHSA-N","5388677",NA,"PDBC06381","638075","Present"
-"(E)-2-Cyano-3-(2,4,6-trihydroxyphenyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-2-Cyano-3-(2,4,6-trihydroxyphenyl)prop-2-enamide","","C1=C(C=C(C(=C1O)C=C(C#N)C(=O)N)O)O","QSVJOCQSOCGHOL-ORCRQEGFSA-N","5388681",NA,"PDBC06382","638082","Present"
-"(E)-2-Cyano-3-(2,4-dihydroxyphenyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-2-Cyano-3-(2,4-dihydroxyphenyl)prop-2-enamide","","C1=CC(=C(C=C1O)O)C=C(C#N)C(=O)N","LZJOLTYMLNKVEJ-XVNBXDOJSA-N","5388675",NA,"PDBC06383","638071","Present"
-"(E)-2-Cyano-3-(2,5-dihydroxy-phenyl)-acrylamide","","","","","","","","","","","","","","","","","","","","(E)-2-Cyano-3-(2,5-dihydroxy-phenyl)-acrylamide","","C1=CC(=C(C=C1O)C=C(C#N)C(=O)N)O","AEEPXYZNJPKDOX-XVNBXDOJSA-N","5388678",NA,"PDBC06384","638076","Present"
-"(E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide","","C1=C(C=C(C(=C1O)O)O)C=C(C#N)C(=O)N","IZDSLPGXLRWXIF-LZCJLJQNSA-N","5388680",NA,"PDBC06385","638080","Present"
-"(E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide","","C1=CC(=CC=C1CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N)C(F)(F)F","MGDBSYXYZRISDG-NTUHNPAUSA-N","9906987",NA,"PDBC06386","722756","Present"
-"(E)-2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)prop-2-enamide","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C(=O)NCCO","LEMDPLWLKDWROF-NTEUORMPSA-N","5471166",NA,"PDBC06387","709114","Present"
-"(E)-2-Cyano-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-2-Cyano-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enamide","","C1=CN(C(=S)NC1=O)C=C(C#N)C(=O)N","LAHVLIKAAQJWKW-SNAWJCMRSA-N","3004595",NA,"PDBC06388","658512","Present"
-"(E)-2-Cyano-3-[(2,6-dimethylphenyl)carbamothioylamino]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-2-Cyano-3-[(2,6-dimethylphenyl)carbamothioylamino]prop-2-enamide","","CC1=C(C(=CC=C1)C)NC(=S)NC=C(C#N)C(=O)N","JWYYDZJSFZEWGW-JXMROGBWSA-N","3004599",NA,"PDBC06389","658793","Present"
-"(E)-2-Cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-5-yl)prop-2-enoyl]amino]butyl]-3-(1H-indol-5-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","2-Cyano-N-(4-((2-cyano-3-(1H-indol-5-yl)acryloyl)amino)butyl)-3-(1H-indol-5-yl)acrylamide","","C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=O)NCCCCNC(=O)C(=CC3=CC4=C(C=C3)NC=C4)C#N","JXPXWTUBJJVAJX-DFEHQXHXSA-N","5467319",NA,"PDBC06390","650562","Present"
-"(E)-2-Dibutoxyphosphoryl-3-(2-furyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Dibutoxyphosphoryl-3-(2-furyl)prop-2-enenitrile","","CCCCOP(=O)(C(=CC1=CC=CO1)C#N)OCCCC","ZMOVJJIZVIPLSQ-NTCAYCPXSA-N","5467591",NA,"PDBC06391","656174","Present"
-"(E)-2-Diethoxyphosphoryl-3-(1-isobutylpyrrol-2-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-(1-isobutylpyrrol-2-yl)prop-2-enenitrile","","CCOP(=O)(C(=CC1=CC=CN1CC(C)C)C#N)OCC","BWTVKNHMWYVVPR-XNTDXEJSSA-N","5468973",NA,"PDBC06392","680521","Present"
-"(E)-2-Diethoxyphosphoryl-3-(1-methylimidazol-2-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-(1-methylimidazol-2-yl)prop-2-enenitrile","","CCOP(=O)(C(=CC1=NC=CN1C)C#N)OCC","DOHQHQVDIQPXAZ-CSKARUKUSA-N","5468627",NA,"PDBC06393","673092","Present"
-"(E)-2-Diethoxyphosphoryl-3-(1-methylimidazol-4-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-(1-methylimidazol-4-yl)prop-2-enenitrile","","CCOP(=O)(C(=CC1=CN(C=N1)C)C#N)OCC","FYKWGDXHIJLWPY-IZZDOVSWSA-N","5468970",NA,"PDBC06394","680518","Present"
-"(E)-2-Diethoxyphosphoryl-3-(1H-imidazol-2-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-(1H-imidazol-2-yl)prop-2-enenitrile","","CCOP(=O)(C(=CC1=NC=CN1)C#N)OCC","MJKRQKCIYFFRJR-VQHVLOKHSA-N","5468614",NA,"PDBC06395","672867","Present"
-"(E)-2-Diethoxyphosphoryl-3-(1H-imidazol-5-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-(1H-imidazol-5-yl)prop-2-enenitrile","","CCOP(=O)(C(=CC1=CN=CN1)C#N)OCC","OUQOCZAVCNIIPK-BJMVGYQFSA-N","5468608",NA,"PDBC06396","672861","Present"
-"(E)-2-Diethoxyphosphoryl-3-(2,5-dihydroxyphenyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-(2,5-dihydroxyphenyl)prop-2-enenitrile","","CCOP(=O)(C(=CC1=C(C=CC(=C1)O)O)C#N)OCC","RRILFFFQVPSWFW-XYOKQWHBSA-N","5467590",NA,"PDBC06397","656173","Present"
-"(E)-2-Diethoxyphosphoryl-3-(2-methyl-1H-imidazol-5-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-(2-methyl-1H-imidazol-5-yl)prop-2-enenitrile","","CCOP(=O)(C(=CC1=CN=C(N1)C)C#N)OCC","HVBAQAFOELFWMS-IZZDOVSWSA-N","5468610",NA,"PDBC06398","672863","Present"
-"(E)-2-Diethoxyphosphoryl-3-(2-phenyl-1H-imidazol-5-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-(2-phenyl-1H-imidazol-5-yl)prop-2-enenitrile","","CCOP(=O)(C(=CC1=CN=C(N1)C2=CC=CC=C2)C#N)OCC","WDNNYKAJTUWOAO-XNTDXEJSSA-N","5468613",NA,"PDBC06399","672866","Present"
-"(E)-2-Diethoxyphosphoryl-3-(4-methyl-1H-imidazol-5-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-(4-methyl-1H-imidazol-5-yl)prop-2-enenitrile","","CCOP(=O)(C(=CC1=C(NC=N1)C)C#N)OCC","RNZFYCQICSJXAD-UXBLZVDNSA-N","5468609",NA,"PDBC06400","672862","Present"
-"(E)-2-Diethoxyphosphoryl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile","","CCOP(=O)(C(=CC1=COC2=CC(=CC(=C2C1=O)C)C)C#N)OCC","YJYIOTQCLFCVSW-OQLLNIDSSA-N","5468617",NA,"PDBC06401","672870","Present"
-"(E)-2-Diethoxyphosphoryl-3-[5-(2,4-difluorophenyl)-2-furyl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Diethoxyphosphoryl-3-[5-(2,4-difluorophenyl)-2-furyl]prop-2-enenitrile","","CCOP(=O)(C(=CC1=CC=C(O1)C2=C(C=C(C=C2)F)F)C#N)OCC","FYDLMUQEIBJKOB-GXDHUFHOSA-N","5468612",NA,"PDBC06402","672865","Present"
-"(E)-2-Methyl-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]but-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-2-Methyl-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]but-2-en-1-one","","CC=C(C)C(=O)N1C(CC2=CC=CC=C21)C3=C(NC4=CC=CC=C43)C","ADJKOMYUQDNKDG-LNKIKWGQSA-N","5388204",NA,"PDBC06403","633484","Present"
-"(E)-2-Methyl-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-2-Methyl-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one","","CC1=CC(=C(C(=C1)C)C(=O)C(=CC2=CC=CC=C2)C)C","UYTGLHFANVAMML-FOWTUZBSSA-N","5466858",NA,"PDBC06404","644639","Present"
-"(E)-2-Methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(E)-2-Methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride","","CC(=CC1=CC=CC=C1)C(=O)CCN2CCOCC2.Cl","RYKXRRUMCTUJKO-IERUDJENSA-N","5386794",NA,"PDBC06405","617822","Present"
-"(E)-2-Methyl-5-propan-2-ylnon-6-ene-1,8-diol","","","","","","","","","","","","","","","","","","","","(E)-2-Methyl-5-propan-2-ylnon-6-ene-1,8-diol","","CC(C)C(CCC(C)CO)C=CC(C)O","KMASBAKBQVORTA-SOFGYWHQSA-N","5387061",NA,"PDBC06406","620053","Present"
-"(E)-2-Trimethylsilyloxypent-3-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-Trimethylsilyloxypent-3-enenitrile","","CC=CC(C#N)O[Si](C)(C)C","WWNMTKNCFACRKM-AATRIKPKSA-N","5386765",NA,"PDBC06407","617599","Present"
-"(E)-2-[(3,4-Dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-2-[(E)-2-phenylethenyl]pent-3-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-[(3,4-Dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-2-[(E)-2-phenylethenyl]pent-3-enenitrile","","CC=CC(C=CC1=CC=CC=C1)(C#N)OP2(=O)N(C(C(O2)C3=CC=CC=C3)C)C","MJIPRGAFEPJHRL-SEWRQBDWSA-N","5471497",NA,"PDBC06408","711760","Present"
-"(E)-2-[(4-Chlorophenyl)methylsulfinyl]-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-2-((4-chlorobenzyl)sulfinyl)-3-(4-nitrophenyl)-1-(p-...","","CC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)CC3=CC=C(C=C3)Cl","CJGGNYIEPRCFCL-HYARGMPZSA-N","155814240",NA,"PDBC06409","798975","Present"
-"(E)-2-[(4-Fluorophenyl)methylsulfinyl]-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-2-((4-fluorobenzyl)sulfinyl)-3-(4-nitrophenyl)-1-(p-...","","CC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)CC3=CC=C(C=C3)F","QRIXGFZSYNSPRP-HYARGMPZSA-N","155812618",NA,"PDBC06410","798976","Present"
-"(E)-2-[1-(4-Chlorophenyl)tetrazol-5-yl]-N,N-dimethylethenamine","","","","","","","","","","","","","","","","","","","","{2-[1-(4-Chloro-phenyl)-1H-tetrazol-5-yl]-vinyl}-dimethy...","","CN(C)C=CC1=NN=NN1C2=CC=C(C=C2)Cl","JEZPNFLAXIIAMB-BQYQJAHWSA-N","5367727",NA,"PDBC06411","723916","Present"
-"(E)-2-[3-(Trifluoromethyl)phenoxymethyl]phenyl-3-methoxyprop enoate","","","","","","","","","","","","","","","","","","","","(E)-2-[3-(trifluoromethyl)phenoxymethyl]phenyl-3-methoxy...","","COC=C(C1=CC=CC=C1COC2=CC=CC(=C2)C(F)(F)F)C(=O)OC","HHJMPMZMPDRRHS-SFQUDFHCSA-N","5472620",NA,"PDBC06412","720481","Present"
-"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(2-hydroxy-4-methoxyphenyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","3-(2-hydroxy-4-methoxyphenyl)-2-[2-amino-4-(3,5,5-trimet...","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=C(C=C(C=C3)OC)O)C#N","GEYSZRZVHOTDTK-NTUHNPAUSA-N","135436347",NA,"PDBC06413","720627","Present"
-"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(2-hydroxyphenyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","3-(2-hydroxyphenyl)-2-[2-amino-4-(3,5,5-trimethyl-2-pyra...","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=CC=C3O)C#N","MKHOORUZOBBWIC-MDWZMJQESA-N","135436346",NA,"PDBC06414","720626","Present"
-"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=C(O3)[N+](=O)[O-])C#N","CBLFDBYGRPRHBO-UXBLZVDNSA-N","5832532",NA,"PDBC06415","696921","Present"
-"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-enenitrile","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=CN3C4=CC(=CC(=C4)Cl)Cl)C#N","GALVMMJUMIYSMH-VGOFMYFVSA-N","6520161",NA,"PDBC06416","704319","Present"
-"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[4-(diethylamino)phenyl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[4-(diethylamino)phenyl]prop-2-enenitrile","","CCN(CC)C1=CC=C(C=C1)C=C(C#N)C2=NC(=NC(=N2)N3C(CC(=N3)C)(C)C)N","HDKGKNKKYRTMRT-SFQUDFHCSA-N","6175750",NA,"PDBC06417","696923","Present"
-"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-pyridin-4-ylprop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-pyridin-4-ylprop-2-enenitrile","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=NC=C3)C#N","KVORLFQBKNOGOP-MDWZMJQESA-N","5955614",NA,"PDBC06418","696922","Present"
-"(E)-3'-Hydroxy-3,5,4'-trimethoxystilbene","","","","","","","","","","","","","","","","","","","","PICEATANNOL, 4,3',5'-TRIMETHYL,1S0","","COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)O","UQIWTPQGJCCTPA-SNAWJCMRSA-N","5385086",NA,"PDBC06419","381864","Present"
-"(E)-3,3',4,5'-Tetramethoxystilbene","","","","","","","","","","","","","","","","","","","","AC-24231","","COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC","PTVAOGIYBMTHSN-AATRIKPKSA-N","5387294",NA,"PDBC06420","622473","Present"
-"(E)-3,4,5-Trimethoxy-4'-ethoxystilbene","","","","","","","","","","","","","","","","","","","","5-[2-(4-Ethoxyphenyl)Ethenyl]-1,2,3-Trimethoxy Benzene","","CCOC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","DSXJJVAVIOTERY-VOTSOKGWSA-N","5388060",NA,"PDBC06421","631357","Present"
-"(E)-3,5,4'-Trimethoxystilbene","","","","","","","","","","","","","","","","","","","","5-[2-(4-Methoxyphenyl)Ethenyl]-1,3-Dimethoxy Benzene","","COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC","GDHNBPHYVRHYCC-SNAWJCMRSA-N","5388063",NA,"PDBC06422","631363","Present"
-"(E)-3-(1,3-Benzodioxol-5-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(1,3-Benzodioxol-5-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-en-1-one","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=CC3=C(C=C2)OCO3","MVZNBDLQQVCBSV-VQHVLOKHSA-N","5471158",NA,"PDBC06423","709102","Present"
-"(E)-3-(1,3-Benzodioxol-5-yl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(1,3-Benzodioxol-5-yl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC4=C(C=C3)OCO4","RRLYFJMADFFROG-SOFGYWHQSA-N","5387179",NA,"PDBC06424","621475","Present"
-"(E)-3-(1,3-Benzodioxol-5-yl)-1-[2-(3,4-dichloroanilino)-4-methyl-thiazol-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(1,3-Benzodioxol-5-yl)-1-[2-(3,4-dichloroanilino)-4-methyl-thiazol-5-yl]prop-2-en-1-one","","CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C=CC3=CC4=C(C=C3)OCO4","HUWFWRBOYDPAPI-QHHAFSJGSA-N","5467713",NA,"PDBC06425","658148","Present"
-"(E)-3-(1-Benzylpyrrol-2-yl)-2-diethoxyphosphoryl-prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-3-(1-Benzylpyrrol-2-yl)-2-diethoxyphosphoryl-prop-2-enenitrile","","CCOP(=O)(C(=CC1=CC=CN1CC2=CC=CC=C2)C#N)OCC","DEHUQKQGJQNRIS-QGOAFFKASA-N","5468974",NA,"PDBC06426","680522","Present"
-"(E)-3-(1-Methylimidazol-4-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-3-(1-Methylimidazol-4-yl)prop-2-enenitrile","","CN1C=C(N=C1)C=CC#N","PMHIMCKAMYEWRD-NSCUHMNNSA-N","5468971",NA,"PDBC06427","680519","Present"
-"(E)-3-(1-Tosyl-3alpha-methylaziridine-2alpha-yl)acrylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]prop-2-enoate","","CC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C=CC(=O)OC","CCBZBLUNHZKKAA-XHSPCEQESA-N","11970079",NA,"PDBC06428","664247","Present"
-"(E)-3-(1-Tosyl-3alpha-methylaziridine-2beta-yl)acrylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-[(2S,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]prop-2-enoate","","CC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C=CC(=O)OC","CCBZBLUNHZKKAA-XVFJYHAQSA-N","11970080",NA,"PDBC06429","664249","Present"
-"(E)-3-(2,2'-Spirobi[indane]-5'-yl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-3-(2,2'-spirobi[indane]-5'-yl)prop-2-enoic acid","","C1C2=C(CC13CC4=CC=CC=C4C3)C=C(C=C2)C=CC(=O)O","QDUPLBCEMNFINR-SOFGYWHQSA-N","6053228",NA,"PDBC06430","670416","Present"
-"(E)-3-(2,3-Dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2,3-Dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=C(C(=CC=C3)Cl)Cl","IVWMFMSQOZFDKJ-CSKARUKUSA-N","5992706",NA,"PDBC06431","729529","Present"
-"(E)-3-(2,3-Difluoro-4,5-dihydroxyphenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2,3-Difluoro-4,5-dihydroxyphenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one","","COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2F)F)O)O)OC","DLHFKCWLKHMAAO-ZZXKWVIFSA-N","5471284",NA,"PDBC06432","710268","Present"
-"(E)-3-(2,4-Dichlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2,4-Dichlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one","","CSC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl","HNKYXQXCZQBYNM-WEVVVXLNSA-N","19824717",NA,"PDBC06433","734473","Present"
-"(E)-3-(2,4-Dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2,4-Dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=C(C=C(C=C3)Cl)Cl","UMWUIWAFLCARLS-RMKNXTFCSA-N","7947301",NA,"PDBC06434","733143","Present"
-"(E)-3-(2,4-Dichlorophenyl)-1-[2-(4-ethoxyanilino)-4-methyl-thiazol-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2,4-Dichlorophenyl)-1-[2-(4-ethoxyanilino)-4-methyl-thiazol-5-yl]prop-2-en-1-one","","CCOC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C=CC3=C(C=C(C=C3)Cl)Cl)C","QYXSTIHICCBGGU-VZUCSPMQSA-N","6090881",NA,"PDBC06435","640548","Present"
-"(E)-3-(2,4-Dichlorophenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2,4-Dichlorophenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one","","CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C=CC3=C(C=C(C=C3)Cl)Cl","ZIEQDCXJDPTYMX-FNORWQNLSA-N","5905229",NA,"PDBC06436","640580","Present"
-"(E)-3-(2,4-Dichlorophenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-(2,4-dichlorophenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=C(C=C(C=C4)Cl)Cl","QJJHBYVNAGTFQD-BHJMIJSQSA-N","118245698",NA,"PDBC06437","784216","Present"
-"(E)-3-(2,4-Dioxo-1H-pyrimidin-5-yl)-N,N-dimethylprop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-(2,4-Dioxo-1H-pyrimidin-5-yl)-N,N-dimethylprop-2-enamide","","CN(C)C(=O)C=CC1=CNC(=O)NC1=O","TYFMCACWXPVVNP-ONEGZZNKSA-N","5925971",NA,"PDBC06438","220471","Present"
-"(E)-3-(2,5-Dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2,5-Dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=C(C=CC(=C3)OC)OC","ZMGNNUJRZMPNER-JXMROGBWSA-N","24203887",NA,"PDBC06439","729978","Present"
-"(E)-3-(2-(3,2-a]Pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl...","","COC1=C(C=C(C=C1)C2=C(N3C=CC=CC3=N2)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","WTHHLVNJLOEQAJ-ZHACJKMWSA-N","54613357",NA,"PDBC06440","750340","Present"
-"(E)-3-(2-(4-Chlorophenylamino)pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-(4-chlorophenylamino)pyridin-3-yl)-1-(3,4,5-tri...","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=CC=C2)NC3=CC=C(C=C3)Cl","NGRZCJZLFCNELT-IZZDOVSWSA-N","117992518",NA,"PDBC06441","761398","Present"
-"(E)-3-(2-(4-Methoxyphenyl) imidazo [1,4,5-trimethoxyphenyl) prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-(4-methoxyphenyl) imidazo [1,2-a] pyrimidin-3-y...","","COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","HEVFCWNFRYDGGC-ZHACJKMWSA-N","54613710",NA,"PDBC06442","750337","Present"
-"(E)-3-(2-(4-Methoxyphenyl)imidazo[1,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-1-...","","COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","CIDZKWOVODJXSE-OUKQBFOZSA-N","54613570",NA,"PDBC06443","750335","Present"
-"(E)-3-(2-(4-Methoxyphenylamino) pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-(4-methoxyphenylamino)pyridin-3-yl)-1-(3,4,5-tr...","","COC1=CC=C(C=C1)NC2=C(C=CC=N2)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","YHEFIVSOBXVSLS-KPKJPENVSA-N","117992405",NA,"PDBC06444","756886","Present"
-"(E)-3-(2-(Phenylamino)pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-(phenylamino)pyridin-3-yl)-1-(3,4,5-trimethoxyp...","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=CC=C2)NC3=CC=CC=C3","IACCHZHJDCQFEA-VAWYXSNFSA-N","91668203",NA,"PDBC06445","761397","Present"
-"(E)-3-(2-(Thiophen-2-yl)imidazo[1,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl)-1-(3...","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CC=C3)C4=CC=CS4","LDBZKFFBAQXGJK-MDZDMXLPSA-N","54613429",NA,"PDBC06446","750745","Present"
-"(E)-3-(2-Chloro-5-nitrophenyl)-1-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Chloro-5-nitrophenyl)-1-phenylprop-2-en-1-one","","C1=CC=C(C=C1)C(=O)C=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl","NCMCPJIKYTWGOK-RMKNXTFCSA-N","5349234",NA,"PDBC06447","93287","Present"
-"(E)-3-(2-Chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one","","C1=CC=C(C(=C1)C=CC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl","KXZODUXKLAXGEN-SOFGYWHQSA-N","5897549",NA,"PDBC06448","640529","Present"
-"(E)-3-(2-Chlorophenyl)-1-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Chlorophenyl)-1-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC=CC=C3Cl","JBEIDDVYGJSQLK-CMDGGOBGSA-N","5387188",NA,"PDBC06449","621485","Present"
-"(E)-3-(2-Chlorophenyl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Chlorophenyl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3Cl","DVOYXNLCQYKVCW-ZHACJKMWSA-N","5387185",NA,"PDBC06450","621481","Present"
-"(E)-3-(2-Chlorophenyl)-N-(8-nitro-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Chlorophenyl)-N-(8-nitro-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)prop-2-enamide","","C1C(C=NC2=C(N1)C=C(C=C2)[N+](=O)[O-])NC(=O)C=CC3=CC=CC=C3Cl","ZSBKLLNHGJSWKZ-VMPITWQZSA-N","6186725",NA,"PDBC06451","636997","Present"
-"(E)-3-(2-Ethyl-6-fluoro-4-oxo-3-phenethyl-3,4-dihydroquinazoline-7-yl)-N-hydroxyacrylamide","","","","","","","","","","","","","","","","","","","","(E)-3-(2-ethyl-6-fluoro-4-oxo-3-phenethyl-3,4-dihydroqui...","","CCC1=NC2=C(C=C(C(=C2)C=CC(=O)NO)F)C(=O)N1CCC3=CC=CC=C3","RGKDACUEVSPDNA-CMDGGOBGSA-N","71811294",NA,"PDBC06452","787278","Present"
-"(E)-3-(2-Ethyl-7-fluoro-4-oxo-3-phenethyl-3,4-dihydroquinazoline-6-yl)-N-hydroxyacrylamide","","","","","","","","","","","","","","","","","","","","(E)-3-(2-ethyl-7-fluoro-4-oxo-3-phenethyl-3,4-dihydroqui...","","CCC1=NC2=C(C=C(C(=C2)F)C=CC(=O)NO)C(=O)N1CCC3=CC=CC=C3","NAMOJMZBPJZNOD-CMDGGOBGSA-N","71811295",NA,"PDBC06453","787285","Present"
-"(E)-3-(2-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])F","WYZNBSVYZOTWGY-JXMROGBWSA-N","5387272",NA,"PDBC06454","622316","Present"
-"(E)-3-(2-Fluorophenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-(2-fluorophenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-meth...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=CC=CC=C4F","KKKXSMZIRCRDAF-SIGOGWIOSA-N","155815072",NA,"PDBC06455","797585","Present"
-"(E)-3-(2-Furyl)-1-[1-[2-(4-methoxyphenyl)-2-oxo-ethyl]benzimidazol-2-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Furyl)-1-[1-[2-(4-methoxyphenyl)-2-oxo-ethyl]benzimidazol-2-yl]prop-2-en-1-one","","COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C=CC4=CC=CO4","AWSZJALLOMQCJH-OUKQBFOZSA-N","5471212",NA,"PDBC06456","709474","Present"
-"(E)-3-(2-Furyl)-1-[6-[(E)-3-(2-furyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Propenone, 1,1'-(2,5-pyridinediyl)bis[3-(2-furanyl)-","","C1=CC(=NC(=C1)C(=O)C=CC2=CC=CO2)C(=O)C=CC3=CC=CO3","UHQYWSWBZUNOOZ-GFULKKFKSA-N","5470458",NA,"PDBC06457","702047","Present"
-"(E)-3-(2-Hydroxy-1-naphthyl)-1-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Hydroxy-1-naphthyl)-1-(4-nitrophenyl)prop-2-en-1-one","","C1=CC=C2C(=C1)C=CC(=C2C=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O","IATWJBXMYUEPMS-ZRDIBKRKSA-N","5938076",NA,"PDBC06458","636987","Present"
-"(E)-3-(2-Hydroxyphenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Hydroxyphenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one","","CC1=C(C2=CC=CC=C2N1)C(=O)C=CC3=CC=CC=C3O","BIMDLCULOMFPAJ-ZHACJKMWSA-N","5387165",NA,"PDBC06459","621377","Present"
-"(E)-3-(2-Hydroxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Hydroxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one","","C1=CC=C(C(=C1)C=CC(=O)C2=CC(=CC=C2)O)O","KAMRNYCNWDARJA-CMDGGOBGSA-N","5885438",NA,"PDBC06460","636810","Present"
-"(E)-3-(2-Hydroxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Hydroxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one","","C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O","USKFJPLTNCKQRC-JXMROGBWSA-N","6062685",NA,"PDBC06461","637688","Present"
-"(E)-3-(2-Hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(2E)-3-(2-Hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one","","C1=CC=C(C(=C1)C=CC(=O)C2=CN=CC=C2)O","XTWJHAQBORZNOB-BQYQJAHWSA-N","5387155",NA,"PDBC06462","621363","Present"
-"(E)-3-(2-Methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one","","COC1=C(C2=CC=CC=C2C=C1)C=CC(=O)C3=CC=CC=C3","IUVAYOLBKVEQQG-OUKQBFOZSA-N","5351689",NA,"PDBC06463","19039","Present"
-"(E)-3-(2-Methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one","","CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C=CC3=CC=CC=C3OC","AXCXJQBGGWRTMD-MDZDMXLPSA-N","6290410",NA,"PDBC06464","640578","Present"
-"(E)-3-(2-Methyl-6-(thiophen-2-yl)imidazo[2,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-methyl-6-(thiophen-2-yl)imidazo[2,1-b]thiazol-5...","","CC1=CN2C(=C(N=C2S1)C3=CC=CS3)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","FQDIUBNHGMVVAB-BQYQJAHWSA-N","54613218",NA,"PDBC06465","750744","Present"
-"(E)-3-(2-Thienyl)-1-[4-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Thienyl)-1-[4-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl]prop-2-en-1-one","","C1=CSC(=C1)C=CC(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=CS3","AWFKHBXZPFZQCK-WGDLNXRISA-N","5333079",NA,"PDBC06466","657771","Present"
-"(E)-3-(2-Thienyl)-1-[6-[(E)-3-(2-thienyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-Thienyl)-1-[6-[(E)-3-(2-thienyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one","","C1=CC(=NC(=C1)C(=O)C=CC2=CC=CS2)C(=O)C=CC3=CC=CS3","JXBUPEYXXASESD-GFULKKFKSA-N","5470457",NA,"PDBC06467","702046","Present"
-"(E)-3-(3,4,5-Trihydroxy-6-oxo-xanthen-9-yl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","3H-Xanthene-9-acrylic acid, 4,5,6-trihydroxy-3-oxo, (Z)-","","C1=CC(=C(C2=C1C(=C3C=CC(=O)C(=C3O2)O)C=CC(=O)O)O)O","HVUVBNCTBKJHHZ-ZZXKWVIFSA-N","54686376",NA,"PDBC06468","119911","Present"
-"(E)-3-(3,4-Dichlorophenyl)-1-[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]prop-2-en-1-one;bromide","","","","","","","","","","","","","","","","","","","","(E)-3-(3,4-Dichlorophenyl)-1-[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]prop-2-en-1-one;bromide","","CC[N+]1(CCC(C(C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)(C=CC3=CC(=C(C=C3)Cl)Cl)O)C.[Br-]","WBIIKTDOICRQJB-PQPHWNMUSA-M","5468156",NA,"PDBC06469","665626","Present"
-"(E)-3-(3,4-Dihydroxyphenyl)-N-(1H-indol-3-ylmethyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-(3,4-Dihydroxyphenyl)-N-(1H-indol-3-ylmethyl)prop-2-enamide","","C1=CC=C2C(=C1)C(=CN2)CNC(=O)C=CC3=CC(=C(C=C3)O)O","NUXGIUUWICLHAH-SOFGYWHQSA-N","24202754",NA,"PDBC06470","725900","Present"
-"(E)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-phenylphenyl)ethyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-phenylphenyl)ethyl]prop-2-enamide","","C1=CC=C(C=C1)C2=CC=C(C=C2)CCNC(=O)C=CC3=CC(=C(C=C3)O)O","MRRLFAJFMMGXQR-UKTHLTGXSA-N","5473235",NA,"PDBC06471","724607","Present"
-"(E)-3-(3,4-Dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3,4-Dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)OC)OC","XAPFKURXRAJDRX-ONNFQVAWSA-N","8857297",NA,"PDBC06472","729531","Present"
-"(E)-3-(3,4-Dimethoxyphenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3,4-Dimethoxyphenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]prop-2-en-1-one","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC(=C(C=C5)OC)OC","WIXMESWBYYKHRP-JQIJEIRASA-N","5803827",NA,"PDBC06473","640564","Present"
-"(E)-3-(3,4-Dimethoxyphenyl)-1-[4-(quinazolin-4-ylamino)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3,4-dimethoxyphenyl)-1-(4-(quinazolin-4-ylamino)p...","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43)OC","YRPMJULDYABSPQ-NTUHNPAUSA-N","127044901",NA,"PDBC06474","760014","Present"
-"(E)-3-(3,4-Dimethoxyphenyl)-1-[6-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Propenone, 1,1'-(2,5-pyridinediyl)bis[3-(3,4-dimethoxy...","","COC1=C(C=C(C=C1)C=CC(=O)C2=NC(=CC=C2)C(=O)C=CC3=CC(=C(C=C3)OC)OC)OC","BEVKCQHNFCLRSS-QHKWOANTSA-N","5470456",NA,"PDBC06475","702045","Present"
-"(E)-3-(3,5-Dimethoxyphenyl)-1-[4-(quinazolin-4-ylamino)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3,5-dimethoxyphenyl)-1-(4-(quinazolin-4-ylamino)p...","","COC1=CC(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43)OC","CIZWETHCDPPGCP-KPKJPENVSA-N","155808311",NA,"PDBC06476","760016","Present"
-"(E)-3-(3,5-Ditert-butyl-4-hydroxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-3-(3,5-Ditert-butyl-4-hydroxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)prop-2-enenitrile","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C2=NCCO2","PPKMXZRKRRVNTN-NTEUORMPSA-N","135436125",NA,"PDBC06477","709113","Present"
-"(E)-3-(3-(3,4-Dimethoxyphenyl)-1H-pyrazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl)-1-(3,4,5...","","COC1=C(C=C(C=C1)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC","OUGBBVPYJAEYDC-BQYQJAHWSA-N","117928249",NA,"PDBC06478","774980","Present"
-"(E)-3-(3-Amino-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3-amino-4-methoxyphenyl)-1-(4-phenylpiperazin-1-y...","","COC1=C(C=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4)N","QSDIYOAWYZLBOS-XQNSMLJCSA-N","155808713",NA,"PDBC06479","791055","Present"
-"(E)-3-(3-Amino-4-methoxyphenyl)-1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3-amino-4-methoxyphenyl)-1-(4-(p-tolyl)piperazin-...","","CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(=CC3=CC(=C(C=C3)OC)N)C4=CC(=C(C(=C4)OC)OC)OC","GPEAJFNUESESOH-LFVJCYFKSA-N","155813244",NA,"PDBC06480","795434","Present"
-"(E)-3-(3-Amino-4-methoxyphenyl)-1-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3-amino-4-methoxyphenyl)-1-(pyrrolidin-1-yl)-2-(3...","","COC1=C(C=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCCC3)N","UTXZXWQBZBYKIN-GZTJUZNOSA-N","155815225",NA,"PDBC06481","795433","Present"
-"(E)-3-(3-Aminophenyl)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]prop-2-en-1-one;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","(E)-3-(3-Aminophenyl)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]prop-2-en-1-one;(Z)-but-2-enedioic acid","","C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC(=CC=C4)N.C(=CC(=O)O)C(=O)O","KLAPCGDYLMFHCJ-YJBXQRLDSA-N","5471050",NA,"PDBC06482","707827","Present"
-"(E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(4-phenylpiperazin-1...","","COC1=C(C=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4)O","GCBUTRDTRUBUGV-XQNSMLJCSA-N","155813314",NA,"PDBC06483","791047","Present"
-"(E)-3-(3-Hydroxy-4-methoxyphenyl)-1-piperazin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(piperazin-1-yl)-2-(...","","COC1=C(C=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCNCC3)O","NIZIKFLHOVXCIV-GZTJUZNOSA-N","155807360",NA,"PDBC06484","788811","Present"
-"(E)-3-(3-Methoxy-4-phenylmethoxycarbonylphenyl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-3-(3-Methoxy-4-phenylmethoxycarbonylphenyl)prop-2-enoic acid","","COC1=C(C=CC(=C1)C=CC(=O)O)C(=O)OCC2=CC=CC=C2","ICYLBQCKVLYEQP-CSKARUKUSA-N","5936470",NA,"PDBC06485","626882","Present"
-"(E)-3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E) 3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2...","","COC1=CC=CC(=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O","ROTYWNACOYVHOD-OQLLNIDSSA-N","5388750",NA,"PDBC06486","638405","Present"
-"(E)-3-(3-Methoxyphenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-(3-methoxyphenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-met...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=CC(=CC=C4)OC","GIHYBEFRNLREGZ-BSDSBLNBSA-N","155805574",NA,"PDBC06487","797584","Present"
-"(E)-3-(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dienyl)-2-methylpropenoic acid","","","","","","","","","","","","","","","","","","","","3-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dienyl...","","CC1=C(C(=O)C(=C(C1=O)OC)OC)C=C(C)C(=O)O","HLCWUWGXJOLZGX-AATRIKPKSA-N","25235419",NA,"PDBC06488","741404","Present"
-"(E)-3-(4-((4-Tert-butylphenyl)ethynyl)-2-methylphenyl)-2-(2,4-dihydroxystyryl)quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-((4-tert-butylphenyl)ethynyl)-2-methylphenyl)-2...","","CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(C)(C)C)N3C(=NC4=CC=CC=C4C3=O)C=CC5=C(C=C(C=C5)O)O","GOAUYADBDRFEDQ-HMMYKYKNSA-N","136040153",NA,"PDBC06489","753534","Present"
-"(E)-3-(4-((6-Methoxynaphthalen-2-yl)ethynyl)-2-methylphenyl)-2-(3,4,5-trimethoxystyryl)quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-((6-methoxynaphthalen-2-yl)ethynyl)-2-methylphe...","","CC1=C(C=CC(=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)OC)N4C(=NC5=CC=CC=C5C4=O)C=CC6=CC(=C(C(=C6)OC)OC)OC","IXIGCONYNCXDQH-XMHGGMMESA-N","60148232",NA,"PDBC06490","754032","Present"
-"(E)-3-(4-3-[4-(2-Furylcarbonyl)piperazino]propoxy-3-methoxyphenyl)-1-(2,4-dimethyl-3-quinolyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-3-[4-(2-furylcarbonyl)piperazino]propoxy-3-meth...","","CC1=C(C(=NC2=CC=CC=C12)C)C(=O)C=CC3=CC(=C(C=C3)OCCCN4CCN(CC4)C(=O)C5=CC=CO5)OC","UYYMAVPDWLUQSU-ACCUITESSA-N","45028672",NA,"PDBC06491","743641","Present"
-"(E)-3-(4-Bromophenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-(4-bromophenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-methy...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=CC=C(C=C4)Br","OSZVZJXPQDXFJB-ZLELDTTNSA-N","155816579",NA,"PDBC06492","797583","Present"
-"(E)-3-(4-Chlorophenyl)-1-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Chlorophenyl)-1-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC=C(C=C3)Cl","HEHFEJYUZCENDK-RMKNXTFCSA-N","5387190",NA,"PDBC06493","621488","Present"
-"(E)-3-(4-Chlorophenyl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Chlorophenyl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=C(C=C3)Cl","XQRHRCCAMVVIAN-DHZHZOJOSA-N","5387183",NA,"PDBC06494","621479","Present"
-"(E)-3-(4-Chlorophenyl)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Chlorophenyl)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]prop-2-en-1-one","","C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)C=CC4=CC=C(C=C4)Cl","SSVXHOFOEAMJAD-VGOFMYFVSA-N","5471206",NA,"PDBC06495","709468","Present"
-"(E)-3-(4-Chlorophenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Chlorophenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]prop-2-en-1-one","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)Cl","CDTBUKVBQVDVBD-SAPNQHFASA-N","5905819",NA,"PDBC06496","640566","Present"
-"(E)-3-(4-Chlorophenyl)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Chlorophenyl)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]prop-2-en-1-one","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)Cl","UHIAYSKMASNTPN-KGVSQERTSA-N","25113941",NA,"PDBC06497","743862","Present"
-"(E)-3-(4-Chlorophenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Chlorophenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one","","CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)C=CC4=CC=C(C=C4)Cl","CRHOWRCLPIUCND-JXMROGBWSA-N","11532324",NA,"PDBC06498","736152","Present"
-"(E)-3-(4-Dimethylaminophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-(4-hydroxyphenyl)- 3-[4-(dimethylamino...","","CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O","BJWJZTDHDARRCW-LFYBBSHMSA-N","5468166",NA,"PDBC06499","665694","Present"
-"(E)-3-(4-Dimethylaminophenyl)-1-[2-[5-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-4-methyl-thiazol-2-yl]-4-methyl-thiazol-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-[4-(Dimethylamino)phenyl]-1-[2-[5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)C=CC3=CC=C(C=C3)N(C)C)C)C(=O)C=CC4=CC=C(C=C4)N(C)C","ZPDORVGHQWPLBN-JYFOCSDGSA-N","5939705",NA,"PDBC06500","640572","Present"
-"(E)-3-(4-Ethynylphenyl)-2-(3,4,5-trimethoxystyryl)pyrido[2,3-d]pyrimidin-4(3H)-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-ethynylphenyl)-2-(3,4,5-trimethoxystyryl)pyrido...","","COC1=CC(=CC(=C1OC)OC)C=CC2=NC3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)C#C","RNGSCLRVDQEDDI-JLHYYAGUSA-N","117919590",NA,"PDBC06501","766314","Present"
-"(E)-3-(4-Ethynylphenyl)-2-(4-hydroxystyryl)pyrido[2,3-d]pyrimidin-4(3H)-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-ethynylphenyl)-2-(4-hydroxystyryl)pyrido[2,3-d]...","","C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)C=CC4=CC=C(C=C4)O","XFVOFFUROFYCAW-NTEUORMPSA-N","136949538",NA,"PDBC06502","766334","Present"
-"(E)-3-(4-Hydroxy-3,5-di-tert-butylphenyl)-2-cyanoacrylic acid methyl ester","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Hydroxy-3,5-di-tert-butylphenyl)-2-cyanoacrylic acid methyl ester","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C(=O)OC","RTNSFKJJCGPXRP-MDWZMJQESA-N","5471164",NA,"PDBC06503","709112","Present"
-"(E)-3-(4-Hydroxy-3-methoxy-phenyl)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Hydroxy-3-methoxy-phenyl)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)prop-2-en-1-one","","COC1=C(C=CC(=C1)C=CC(=O)C2=[N+](NOC2=O)C3=CC=CC=C3)[O-]","BDAXXNKGVIXEIP-UHFFFAOYSA-N","5469240",NA,"PDBC06504","684701","Present"
-"(E)-3-(4-Hydroxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Hydroxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one","","CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)C=CC4=CC=C(C=C4)O","WFRNLZBWGXNHIF-JXMROGBWSA-N","24205552",NA,"PDBC06505","736153","Present"
-"(E)-3-(4-Methoxyphenyl)-1-(tetrazol-1-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-methoxyphenyl)-1-(1H-tetrazol-1-yl)-2-(3,4,5-tr...","","COC1=CC=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3C=NN=N3","OZGVASOTLGCXOS-CXUHLZMHSA-N","155809551",NA,"PDBC06506","803364","Present"
-"(E)-3-(4-Methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one","","CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC","BSNZIAGYYHPTQB-JXMROGBWSA-N","6063589",NA,"PDBC06507","640575","Present"
-"(E)-3-(4-Methoxyphenyl)-1-piperidin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-methoxyphenyl)-1-(piperidin-1-yl)-2-(3,4,5-trim...","","COC1=CC=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCCCC3","QVKJAYNQCVVQQB-XSFVSMFZSA-N","155807406",NA,"PDBC06508","795432","Present"
-"(E)-3-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E) 2-(3,4,5-Trimethoxyphenyl)-4'-methoxycinnamic acid","","COC1=CC=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O","ZMGMHAQNBAGRKD-OQLLNIDSSA-N","5388780",NA,"PDBC06509","638500","Present"
-"(E)-3-(4-Methylthiophen-2-yl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Methylthiophen-2-yl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one","","CC1=CSC(=C1)C=CC(=O)C2=C(N(N=N2)C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C","AWOISRJICMTRJL-VOTSOKGWSA-N","24205553",NA,"PDBC06510","736154","Present"
-"(E)-3-(4-Oxo-3,1-benzoxazin-2-yl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Oxo-3,1-benzoxazin-2-yl)prop-2-enoic acid","","C1=CC=C2C(=C1)C(=O)OC(=N2)C=CC(=O)O","GMUSMKUVPHWJFS-AATRIKPKSA-N","5387422",NA,"PDBC06511","623517","Present"
-"(E)-3-(5H-Pyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","2-propenamide, 3-(4H-pyrrolo[2,3-b]pyrazin-7-yl)-","","C1=CN=C2C(=N1)C(=CN2)C=CC(=O)N","YSOUJGPFYLDVIC-OWOJBTEDSA-N","5898624",NA,"PDBC06512","217906","Present"
-"(E)-3-(6-(3,1-b]Thiazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(6-(3,4-dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl...","","COC1=C(C=C(C=C1)C2=C(N3C=CSC3=N2)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","BWSNMPVIPGQHDI-BQYQJAHWSA-N","54613531",NA,"PDBC06513","750741","Present"
-"(E)-3-(6-(4-Methoxyphenyl)-2-methylimidazo [2,4,5-trimethoxyphenyl) prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(6-(4-methoxyphenyl)-2-methylimidazo [2,1-b] thiaz...","","CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)OC)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","BZNCCKCOVXYWGE-ZHACJKMWSA-N","51353353",NA,"PDBC06514","750742","Present"
-"(E)-3-(6-(Thiophen-2-yl)imidazo[2,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(6-(thiophen-2-yl)imidazo[2,1-b]thiazol-5-yl)-1-(3...","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CS3)C4=CC=CS4","OASOYSSGCAOVFK-VOTSOKGWSA-N","50908742",NA,"PDBC06515","750743","Present"
-"(E)-3-(7-Chloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","3-(6/7-chloro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-1-(3,4...","","CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","AOZCZOWIVXWKDJ-BQYQJAHWSA-N","53362836",NA,"PDBC06516","749075","Present"
-"(E)-3-(7-Methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","3-(7-methoxy-3-methyl-1,4-dioxy-quinoxalin-2-yl)-1-(3,4,...","","CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","XXUQPSZTHDJUOY-CMDGGOBGSA-N","53362835",NA,"PDBC06517","749076","Present"
-"(E)-3-(9-Oxoacridin-10-yl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-3-(9-Oxoacridin-10-yl)prop-2-enoic acid","","C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2C=CC(=O)O","QCQZQTBAJDIMLO-MDZDMXLPSA-N","6069984",NA,"PDBC06518","646649","Present"
-"(E)-3-(Benzenesulfonyl)-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-3-(Benzenesulfonyl)-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one","","CC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","JJQIPGIVCYFALT-XQNSMLJCSA-N","54613201",NA,"PDBC06519","749023","Present"
-"(E)-3-(Bromomethyl)-1,2,6,7-tetrachloro-7-methyloct-2-ene","","","","","","","","","","","","","","","","","","","","(E)-3-(Bromomethyl)-1,2,6,7-tetrachloro-7-methyloct-2-ene","","CC(C)(C(CCC(=C(CCl)Cl)CBr)Cl)Cl","UIGXZKYHJGKJFU-BQYQJAHWSA-N","5468475",NA,"PDBC06520","670806","Present"
-"(E)-3-(Bromomethyl)-1,2,6-trichloro-7-methyloct-2-ene","","","","","","","","","","","","","","","","","","","","(E)-3-(Bromomethyl)-1,2,6-trichloro-7-methyloct-2-ene","","CC(C)C(CCC(=C(CCl)Cl)CBr)Cl","RKFUUOCSKVSRRP-CSKARUKUSA-N","5468478",NA,"PDBC06521","670811","Present"
-"(E)-3-(Bromomethyl)-1,2-dichloro-7-methyloct-2-ene","","","","","","","","","","","","","","","","","","","","(E)-3-(Bromomethyl)-1,2-dichloro-7-methyloct-2-ene","","CC(C)CCCC(=C(CCl)Cl)CBr","ZJALXZAHUYDTJK-MDZDMXLPSA-N","5468474",NA,"PDBC06522","670799","Present"
-"(E)-3-(Furan-2-yl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(Furan-2-yl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CO3","IJDNCNRAXYJMHX-CMDGGOBGSA-N","5387184",NA,"PDBC06523","621480","Present"
-"(E)-3-Amino-2-cyano-N-methyl-3-(4-methylpiperazin-1-yl)prop-2-enethioamide","","","","","","","","","","","","","","","","","","","","(E)-3-Amino-2-cyano-N-methyl-3-(4-methylpiperazin-1-yl)prop-2-enethioamide","","CNC(=S)C(=C(N)N1CCN(CC1)C)C#N","BMXMHGCHHFOGAT-CMDGGOBGSA-N","3005209",NA,"PDBC06524","682880","Present"
-"(E)-3-Amino-3-[(2-chlorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-3-Amino-3-[(2-chlorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)prop-2-enenitrile","","COC1=CC=C(C=C1)C(=C(N)SCC2=CC=CC=C2Cl)C#N","HSOASQDLMMHTFW-ICFOKQHNSA-N","3004107",NA,"PDBC06525","628517","Present"
-"(E)-3-Amino-N-(4-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-Amino-N-(4-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide","","CN1CCN(CC1)C(=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)N","SXNIUWWJBVJXFA-BUHFOSPRSA-N","3005447",NA,"PDBC06526","700473","Present"
-"(E)-3-Chloro-2,3-bis(3,4-dimethoxyphenyl)-N,N-dimethylprop-2-en-1-amine","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2,3-bis(3,4-dimethoxyphenyl)-N,N-dimethylprop-2-en-1-amine","","CN(C)CC(=C(C1=CC(=C(C=C1)OC)OC)Cl)C2=CC(=C(C=C2)OC)OC","PACQILDXNKWFSS-PGMHBOJBSA-N","5386810",NA,"PDBC06527","623181","Present"
-"(E)-3-Chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","2-Propenal, 3-chloro-2,3-bis(3,4-dimethoxyphenyl)-","","COC1=C(C=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C=O)OC","WFAINMQUZRDRQU-RGEXLXHISA-N","3001008",NA,"PDBC06528","618121","Present"
-"(E)-3-Chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enenitrile","","COC1=C(C=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C#N)OC","FGVDBFYGSBZBFI-RGEXLXHISA-N","3005188",NA,"PDBC06529","681108","Present"
-"(E)-3-Chloro-2,3-bis(3-methoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2,3-bis(3-methoxyphenyl)prop-2-enal","","COC1=CC=CC(=C1)C(=C(C2=CC(=CC=C2)OC)Cl)C=O","YTWTXVDJVCSVOR-MSUUIHNZSA-N","3004400",NA,"PDBC06530","650592","Present"
-"(E)-3-Chloro-2,3-bis(4-methoxyphenyl)acrylaldehyde","","","","","","","","","","","","","","","","","","","","J-501960","","COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C=O","VNRALGZMXHFBPG-MSUUIHNZSA-N","735821",NA,"PDBC06531","618119","Present"
-"(E)-3-Chloro-2-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal","","COC1=C(C=C(C=C1)C(=C(C=O)C2=CC(=C(C=C2)Cl)Cl)Cl)OC","LHHYMABXISBAHT-ATVHPVEESA-N","5387399",NA,"PDBC06532","623178","Present"
-"(E)-3-Chloro-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enal","","COC1=CC=C(C=C1)C(=C(C=O)C2=CC(=C(C=C2)Cl)Cl)Cl","RZUPFVYISCIGQZ-SSZFMOIBSA-N","5387398",NA,"PDBC06533","623177","Present"
-"(E)-3-Chloro-2-(3,4-dimethoxyphenyl)-3-(3,4-dipropoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2-(3,4-dimethoxyphenyl)-3-(3,4-dipropoxyphenyl)prop-2-enal","","CCCOC1=C(C=C(C=C1)C(=C(C=O)C2=CC(=C(C=C2)OC)OC)Cl)OCCC","SOSMMCSSERKRQU-NKFKGCMQSA-N","3004402",NA,"PDBC06534","650594","Present"
-"(E)-3-Chloro-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal","","COC1=CC=C(C=C1)C(=C(C=O)C2=CC(=C(C=C2)OC)OC)Cl","ZJCRYHAKXRGHQK-SDXDJHTJSA-N","5387400",NA,"PDBC06535","623179","Present"
-"(E)-3-Chloro-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal","","COC1=C(C=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)Cl)Cl)OC","JCDLDJOVFDZXKD-VKAVYKQESA-N","5386812",NA,"PDBC06536","618116","Present"
-"(E)-3-Chloro-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enal","","COC1=CC=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)Cl)Cl","IPXFLQLMWRYNPK-NXVVXOECSA-N","5386813",NA,"PDBC06537","618120","Present"
-"(E)-3-Chloro-2-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal","","CCOC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C=O","BCYMNMSQJIBWRH-ZCXUNETKSA-N","5387393",NA,"PDBC06538","623172","Present"
-"(E)-3-Chloro-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enal","","COC1=CC=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)F)Cl","DADGKXVUMYDSAA-NXVVXOECSA-N","5387394",NA,"PDBC06539","623173","Present"
-"(E)-3-Chloro-3-(3,4-diethoxyphenyl)-2-(3,4-dimethoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-3-(3,4-diethoxyphenyl)-2-(3,4-dimethoxyphenyl)prop-2-enal","","CCOC1=C(C=C(C=C1)C(=C(C=O)C2=CC(=C(C=C2)OC)OC)Cl)OCC","CDZCOLUKLVIYQS-PGMHBOJBSA-N","3004401",NA,"PDBC06540","650593","Present"
-"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enal","","COC1=C(C=C(C=C1)C(=C(C=O)C2=CC(=C(C(=C2)OC)OC)OC)Cl)OC","JKJHXSSWNTZDGL-RGEXLXHISA-N","5387416",NA,"PDBC06541","623234","Present"
-"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enal","","COC1=C(C=C(C=C1)C(=C(C=O)C2=CC(=CC=C2)OC)Cl)OC","HXCCUGDXENOORV-SDXDJHTJSA-N","3004399",NA,"PDBC06542","650591","Present"
-"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)prop-2-enal","","CCOC1=CC=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C=O","UIIYZXFQIMWKAE-MNDPQUGUSA-N","5387392",NA,"PDBC06543","623171","Present"
-"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)prop-2-enal","","COC1=C(C=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)F)Cl)OC","YJEALQZPDPVZST-VKAVYKQESA-N","5387395",NA,"PDBC06544","623174","Present"
-"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enal","","COC1=CC=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C=O","FZIJEPNWFRYEPN-SDXDJHTJSA-N","5386811",NA,"PDBC06545","618115","Present"
-"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enal","","COC1=C(C=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)OC","WBCMAZSOQPPOQZ-VKAVYKQESA-N","5387397",NA,"PDBC06546","623176","Present"
-"(E)-3-Chloro-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enal","","","","","","","","","","","","","","","","","","","","(E)-3-Chloro-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enal","","COC1=CC=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl","UROLNJHMEXESOH-NXVVXOECSA-N","5387396",NA,"PDBC06547","623175","Present"
-"(E)-3-Methylsulfonyl-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-3-Methylsulfonyl-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one","","CC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)S(=O)(=O)C","YZOLADOWELKGMD-LDADJPATSA-N","54612756",NA,"PDBC06548","748875","Present"
-"(E)-3-Phenyl-1-(pyridin-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","3-PHENYL-1-(2-PYRIDYL)-2-PROPEN-1-ONE///NSC96501","","C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=N2","UYYLCENCUQKANA-MDZDMXLPSA-N","5354119",NA,"PDBC06549","798///96501","Present"
-"(E)-3-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-(4-methylbenzoyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-3-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-(4-methylbenzoyl)prop-2-enenitrile","","CC1=CC=C(C=C1)C(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C#N","VDVUZQFKGSAEIW-NBVRZTHBSA-N","3005263",NA,"PDBC06550","687611","Present"
-"(E)-3-[2-(3,4-Dimethoxyphenyl)-3-(methoxycarbonyl)-7-methoxybenzofuran-5-yl]propenoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1-benzofuran-3-carboxylate","","COC1=C(C=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC)C(=O)OC)OC","YBGVFDLRURHAGE-RMKNXTFCSA-N","5468716",NA,"PDBC06551","675001","Present"
-"(E)-3-[2-(4-Fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-[2-(4-Fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)F","DREVRAWRNVYXJI-MDZDMXLPSA-N","54612880",NA,"PDBC06552","750336","Present"
-"(E)-3-[2-(Trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl)-1-...","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CC=C3)C(F)(F)F","NGKGDVUVHQMCBV-BQYQJAHWSA-N","54613013",NA,"PDBC06553","750338","Present"
-"(E)-3-[2-Ethyl-3-(4-fluorophenethyl)-4-oxo-3,4-dihydroquinazoline-7-yl]-N-hydroxyacrylamide","","","","","","","","","","","","","","","","","","","","(E)-3-(2-ethyl-3-(4-fluorophenethyl)-4-oxo-3,4-dihydroqu...","","CCC1=NC2=C(C=CC(=C2)C=CC(=O)NO)C(=O)N1CCC3=CC=C(C=C3)F","HKISHKJJYBCZQL-UXBLZVDNSA-N","71811262",NA,"PDBC06554","787284","Present"
-"(E)-3-[2-Ethyl-3-(4-methoxyphenethyl)-4-oxo-3,4-dihydroquinazoline-7-yl]-N-hydroxyacrylamide","","","","","","","","","","","","","","","","","","","","(E)-3-(2-ethyl-3-(4-methoxyphenethyl)-4-oxo-3,4-dihydroq...","","CCC1=NC2=C(C=CC(=C2)C=CC(=O)NO)C(=O)N1CCC3=CC=C(C=C3)OC","DWWXXRKGLLUOGK-YRNVUSSQSA-N","71811290",NA,"PDBC06555","787283","Present"
-"(E)-3-[2-Methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-methoxy-5-(1-(3,4,5-trimethoxyphenyl)vinyl)phen...","","COC1=C(C=C(C=C1)C(=C)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","BGCCTUJDKWHWQW-PKNBQFBNSA-N","155811610",NA,"PDBC06556","780194","Present"
-"(E)-3-[3-Methoxy-4-[(E)-2-phenylethenoxy]carbonylphenyl]prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-3-[3-Methoxy-4-[(E)-2-phenylethenoxy]carbonylphenyl]prop-2-enoic acid","","COC1=C(C=CC(=C1)C=CC(=O)O)C(=O)OC=CC2=CC=CC=C2","VVAMPRFKJYUPEA-REVVXPLQSA-N","5896819",NA,"PDBC06557","626886","Present"
-"(E)-3-[4,5-Bis(phenylmethoxy)pyridin-2-yl]-2-cyanoprop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-[4,5-Bis(phenylmethoxy)pyridin-2-yl]-2-cyanoprop-2-enamide","","C1=CC=C(C=C1)COC2=C(C=NC(=C2)C=C(C#N)C(=O)N)OCC3=CC=CC=C3","TVEJEALDXDXDSX-YBFXNURJSA-N","5388684",NA,"PDBC06558","638086","Present"
-"(E)-3-[4-(Dimethylamino)phenyl]-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-[4-(Dimethylamino)phenyl]-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one","","CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)C=C(C=C3)OC","SWEQPCSYEPPDGB-AWNIVKPZSA-N","7947291",NA,"PDBC06559","729533","Present"
-"(E)-3-[4-Methoxy-3-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-methoxy-3-((1-(4-methoxybenzyl)-1H-1,2,3-triazo...","","COC1=CC=C(C=C1)CN2C=C(N=N2)COC3=C(C=CC(=C3)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","ZAJKOFVRBKANIT-XYOKQWHBSA-N","155806868",NA,"PDBC06560","765799","Present"
-"(E)-3-[4-[2-[10-[2-[4-[(E)-3-Oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-[4-[2-[10-[2-[4-[(E)-3-Oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CC=C(C=C2)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","XXNJHRIAOSUPCG-FQHZWJPGSA-N","5469052",NA,"PDBC06561","682093","Present"
-"(E)-3-[4-[4-[4-[(E)-2-Cyanovinyl]-1-(p-tolylsulfonyl)pyrrol-3-yl]-1-(p-tolylsulfonyl)pyrrol-3-yl]-1-(p-tolylsulfonyl)pyrrol-3-yl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-3-[4-[4-[4-[(E)-2-Cyanoethenyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]prop-2-enenitrile","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C3=CN(C=C3C4=CN(C=C4C=CC#N)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C)C=CC#N","HEEOSQICULIPKJ-YDFGWWAZSA-N","5468942",NA,"PDBC06562","679537","Present"
-"(E)-3-[4-[Bis(2-bromoethyl)amino]phenyl]-2-cyanoprop-2-enamide","","","","","","","","","","","","","","","","","","","","Cinnamamide, p-[bis(2-bromoethyl)amino]-.alpha.-cyano-","","C1=CC(=CC=C1C=C(C#N)C(=O)N)N(CCBr)CCBr","IWRUKTCHUSSIEY-FMIVXFBMSA-N","6282616",NA,"PDBC06563","81767","Present"
-"(E)-3-[4-[Bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]prop-2-enoyl azide","","","","","","","","","","","","","","","","","","","","(E)-3-[4-[Bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]prop-2-enoyl azide","","C1=CC(=CC=C1C=C(C(=O)N=[N+]=[N-])NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N(CCC#N)CCC#N","JKOCMRWIVQLHIH-DEDYPNTBSA-N","5821081",NA,"PDBC06564","638225","Present"
-"(E)-3-[4-[[3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]sulfonyl]phenyl]prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-3-[4-[[3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]sulfonyl]phenyl]prop-2-enoic acid","","COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2S(=O)(=O)C5=CC=C(C=C5)C=CC(=O)O","PRPUBBKCAZURSJ-CAOOACKPSA-N","5472424",NA,"PDBC06565","718689","Present"
-"(E)-3-[5-(Dimethoxyphosphorylmethyl)-2-furyl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-3-[5-(Dimethoxyphosphorylmethyl)-2-furyl]prop-2-enenitrile","","COP(=O)(CC1=CC=C(O1)C=CC#N)OC","HGNPZVNKJDSJFO-ONEGZZNKSA-N","5468680",NA,"PDBC06566","674227","Present"
-"(E)-3-[5-(Methoxymethyl)-6,11-dioxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-3-[5-(Methoxymethyl)-6,11-dioxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide","","COCN1C2=CC=CC=C2C(=O)N3C=C(CC3C1=O)C=CC(=O)N","PFZUOFXFXHKZOR-VOTSOKGWSA-N","5387499",NA,"PDBC06567","624333","Present"
-"(E)-3-[5-[3,5-Bis(trifluoromethyl)phenyl]-2-furyl]-2-diethoxyphosphoryl-prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(E)-3-[5-[3,5-Bis(trifluoromethyl)phenyl]-2-furyl]-2-diethoxyphosphoryl-prop-2-enenitrile","","CCOP(=O)(C(=CC1=CC=C(O1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N)OCC","GPVIEPUQMRVGEW-MHWRWJLKSA-N","5468626",NA,"PDBC06568","673091","Present"
-"(E)-3-[6-(4-Fluorophenyl)-2-methylimidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thi...","","CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)F)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","OKCSEIZNHKOFSY-MDZDMXLPSA-N","51353357",NA,"PDBC06569","749804","Present"
-"(E)-3-[6-(4-Fluorophenyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl...","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CS3)C4=CC=C(C=C4)F","PTOJCMAWQFZHOM-CMDGGOBGSA-N","51353352",NA,"PDBC06570","748734","Present"
-"(E)-3-[6-(4-Methoxyphenyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-y...","","COC1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","XFQIHTLSGRJKNZ-MDZDMXLPSA-N","51353293",NA,"PDBC06571","748733","Present"
-"(E)-3-[6-(Trifluoromethyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5trimethoxyphenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-y...","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CS3)C(F)(F)F","BCIBRVKRBVTPQK-SNAWJCMRSA-N","50908741",NA,"PDBC06572","749801","Present"
-"(E)-4,4,4-Trichloro-N-(4-chlorophenyl)but-2-enamide","","","","","","","","","","","","","","","","","","","","2-Butenamide, N-(4-chlorophenyl)-4,4,4-trichloro-","","C1=CC(=CC=C1NC(=O)C=CC(Cl)(Cl)Cl)Cl","HQGDREXJVGMAEY-AATRIKPKSA-N","5927763",NA,"PDBC06573","604586","Present"
-"(E)-4,4-Dimethyl-1-phenyl-5-(1-piperidyl)pent-1-en-3-one","","","","","","","","","","","","","","","","","","","","1-Phenyl-4,4-dimethyl-5-(1-piperidino)pent-1-en-3-one hydrochloride","","CC(C)(CN1CCCCC1)C(=O)C=CC2=CC=CC=C2.Cl","WDQXQEPXPWTHQG-CALJPSDSSA-N","6474495",NA,"PDBC06574","643992","Present"
-"(E)-4,4-Dimethyl-5-(1-piperidyl)-1-(p-tolyl)pent-1-en-3-one","","","","","","","","","","","","","","","","","","","","1-(4-Methylphenyl)-4,4-dimethyl-5-(1-piperidino)pent-1-en-3-one hydrochloride","","CC1=CC=C(C=C1)C=CC(=O)C(C)(C)CN2CCCCC2.Cl","BISFZMZPTUCLLD-CALJPSDSSA-N","6474496",NA,"PDBC06575","643993","Present"
-"(E)-4-(1,3-Dihydropyrrolo[3,4-b]quinolin-2-yl)-4-oxobut-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-4-(1,3-Dihydropyrrolo[3,4-b]quinolin-2-yl)-4-oxobut-2-enoic acid","","C1C2=CC3=CC=CC=C3N=C2CN1C(=O)C=CC(=O)O","XXDIMUGXFWMIEE-AATRIKPKSA-N","5382461",NA,"PDBC06576","140899","Present"
-"(E)-4-(2,5-Dimethoxyphenyl)-3-ethoxycarbonylbut-3-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-4-(2,5-Dimethoxyphenyl)-3-ethoxycarbonylbut-3-enoic acid","","CCOC(=O)C(=CC1=C(C=CC(=C1)OC)OC)CC(=O)O","MINVFJFJVLIBOQ-YRNVUSSQSA-N","5387096",NA,"PDBC06577","620312","Present"
-"(E)-4-(2-Fluorophenyl)-1,1-diphenylbut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(2-Fluorophenyl)-1,1-diphenylbut-3-en-2-one","","C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3F","OWSRWKSFACQDGH-FOCLMDBBSA-N","5386875",NA,"PDBC06578","618533","Present"
-"(E)-4-(2-Methoxyphenyl)-2-oxo-4-sulfanylbut-3-enoic acid","","","","","","","","","","","","","","","","","","","ToM","","","","","",NA,"PDBC06579","","Absent"
-"(E)-4-(3-Acetyl-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(3-Acetyl-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","CC(=O)C1=CC(=CC=C1)N(CC(=O)C2=CC=C(C=C2)Cl)C=CC(=O)C(F)(F)F","XMAOJHCDPGSQQO-MDZDMXLPSA-N","24204934",NA,"PDBC06580","733479","Present"
-"(E)-4-(3-Thionitrosophenyl)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(3-Thionitrosophenyl)but-3-en-2-one","","CC(=O)C=CC1=CC(=CC=C1)N=S","KOHZLWLARBLXOT-AATRIKPKSA-N","5388423",NA,"PDBC06581","635958","Present"
-"(E)-4-(4-Acetyl-N-[2-(3,4-dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(4-Acetyl-N-[2-(3,4-dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","CC(=O)C1=CC=C(C=C1)N(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C=CC(=O)C(F)(F)F","AKBBBOJCIYOBSF-CMDGGOBGSA-N","24205124",NA,"PDBC06582","734384","Present"
-"(E)-4-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)but-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(E)-4-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)but-2-en-1-ol","","C1=CN(C2=NC=NC(=C21)N)CC=CCO","VBIAGLNRNULIDS-OWOJBTEDSA-N","5470325",NA,"PDBC06583","699716","Present"
-"(E)-4-(4-Chloro-N-[2-(3,4-dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(4-Chloro-N-[2-(3,4-dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","C1=CC(=CC=C1N(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C=CC(=O)C(F)(F)F)Cl","UFYQZZQRFUCSCJ-BQYQJAHWSA-N","24205125",NA,"PDBC06584","734385","Present"
-"(E)-4-(4-Chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(4-Chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","C1=CC(=CC=C1C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)Cl)Cl","WYIATDGRNIKEFS-MDZDMXLPSA-N","24204931",NA,"PDBC06585","733476","Present"
-"(E)-4-(4-Chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(4-Chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","C1=CC(=CC=C1C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)Cl)F","YQPFBEKWAGMPCF-MDZDMXLPSA-N","24204927",NA,"PDBC06586","733472","Present"
-"(E)-4-(4-Chloro-N-phenacylanilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(4-Chloro-N-phenacylanilino)-1,1,1-trifluorobut-3-en-2-one","","C1=CC=C(C=C1)C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)Cl","XPWVRQXOVOIMPF-ZHACJKMWSA-N","24204717",NA,"PDBC06587","732545","Present"
-"(E)-4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid","","CC(=CC1=CC=C(C=C1)Cl)C(C)(C)C(=O)O","ZUJSAJQUBXASPX-CMDGGOBGSA-N","5384034",NA,"PDBC06588","303607","Present"
-"(E)-4-(Morpholin-4-ylmethyl)-1-phenylnon-1-en-3-one;hydrobromide","","","","","","","","","","","","","","","","","","","","(E)-4-(Morpholin-4-ylmethyl)-1-phenylnon-1-en-3-one;hydrobromide","","CCCCCC(CN1CCOCC1)C(=O)C=CC2=CC=CC=C2.Br","VNEVITDWWHPCJE-CALJPSDSSA-N","54601610",NA,"PDBC06589","322069","Present"
-"(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]-4-methoxyanilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]-4-methoxyanilino)-1,1,1-trifluorobut-3-en-2-one","","COC1=CC=C(C=C1)N(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C=CC(=O)C(F)(F)F","QULOLGRKLXECQQ-CMDGGOBGSA-N","24204926",NA,"PDBC06590","733471","Present"
-"(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]-4-methylanilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]-4-methylanilino)-1,1,1-trifluorobut-3-en-2-one","","CC1=CC=C(C=C1)N(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C=CC(=O)C(F)(F)F","BAAZBDHFHSDLOS-CMDGGOBGSA-N","24204995",NA,"PDBC06591","733916","Present"
-"(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","C1=CC=C(C=C1)N(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C=CC(=O)C(F)(F)F","TUVBSUPMVMLOIR-CMDGGOBGSA-N","24204937",NA,"PDBC06592","733482","Present"
-"(E)-4-(N-[2-(4-Chlorophenyl)-2-oxoethyl]-4-methoxyanilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(N-[2-(4-Chlorophenyl)-2-oxoethyl]-4-methoxyanilino)-1,1,1-trifluorobut-3-en-2-one","","COC1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)Cl)C=CC(=O)C(F)(F)F","RLNDVOWLQDWZCW-ZHACJKMWSA-N","24204939",NA,"PDBC06593","733484","Present"
-"(E)-4-(N-[2-(4-Chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-(N-[2-(4-Chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one","","C1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)Cl)C=CC(=O)C(F)(F)F","BFAYJJTZZSEFHP-ZHACJKMWSA-N","24204930",NA,"PDBC06594","733475","Present"
-"(E)-4-(Tert-Butyldimethylsilyloxy)-3,4',5-trimethoxystilbene","","","","","","","","","","","","","","","","","","","","(E) 4-.tert.Butyldimethylsilyloxy-3,4',5-trimethoxystilbene","","CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)C=CC2=CC=C(C=C2)OC)OC","QYELFYNGCBSTLN-MDZDMXLPSA-N","5388773",NA,"PDBC06595","638491","Present"
-"(E)-4-Benzyloxy-3,4',5-trimethoxystilbene","","","","","","","","","","","","","","","","","","","","(E) 4-Benzyloxy-3,4',5-trimethoxystilbene","","COC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC","NRKQFAWASSDLPO-MDZDMXLPSA-N","5388777",NA,"PDBC06596","638496","Present"
-"(E)-4-Bromo-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one","","","","","","","","","","","","","","","","","","","","(E)-4-Bromo-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one","","CC(C)(C(=O)C=CC1=CC=C(C=C1)OC)Br","BMAOFKCYLVTSMJ-RMKNXTFCSA-N","5798653",NA,"PDBC06597","382770","Present"
-"(E)-4-Bromo-4-methyl-1-phenylpent-1-en-3-one","","","","","","","","","","","","","","","","","","","","(E)-4-Bromo-4-methyl-1-phenylpent-1-en-3-one","","CC(C)(C(=O)C=CC1=CC=CC=C1)Br","LYDXYGFVXNGODU-CMDGGOBGSA-N","5944568",NA,"PDBC06598","382767","Present"
-"(E)-4-Diethoxyphosphoryl-5-phenylpent-4-en-2-one","","","","","","","","","","","","","","","","","","","","NSC687829","","CCOP(=O)(C(=CC1=CC=CC=C1)CC(=O)C)OCC","ZRODUEDCUABUST-NTCAYCPXSA-N","5469420",NA,"PDBC06599","687829","Present"
-"(E)-4-Oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]but-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-4-Oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]but-2-enoic acid","","C(=CC(=O)O)C(=O)NC1=NN=C(S1)S(=O)(=O)N","MBXVRPOXAVAXEA-OWOJBTEDSA-N","5803978",NA,"PDBC06600","698988","Present"
-"(E)-4-[(4-Methylmorpholin-4-ium-4-yl)methyl]-1-phenylnon-1-en-3-one;bromide","","","","","","","","","","","","","","","","","","","","(E)-4-[(4-Methylmorpholin-4-ium-4-yl)methyl]-1-phenylnon-1-en-3-one;bromide","","CCCCCC(C[N+]1(CCOCC1)C)C(=O)C=CC2=CC=CC=C2.[Br-]","WHLZKVDWYJIXOK-UEIGIMKUSA-M","54610962",NA,"PDBC06601","322072","Present"
-"(E)-4-[2,6-Dimethyl-6-(2-methylpropyl)cyclohexen-1-yl]but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-[2,6-Dimethyl-6-(2-methylpropyl)cyclohexen-1-yl]but-3-en-2-one","","CC1=C(C(CCC1)(C)CC(C)C)C=CC(=O)C","ZXSMELYOPOOCAX-CMDGGOBGSA-N","5472295",NA,"PDBC06602","717801","Present"
-"(E)-4-[2-(2-Methyl-1H-indol-3-yl)indolin-1-yl]-4-oxo-but-2-enoic acid","","","","","","","","","","","","","","","","","","","","(E)-4-[2-(2-Methyl-1H-indol-3-yl)indolin-1-yl]-4-oxo-but-2-enoic acid","","CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)C=CC(=O)O","BLCOALNKHFNYCK-ZHACJKMWSA-N","5388053",NA,"PDBC06603","631310","Present"
-"(E)-4-[4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenyl]but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(E)-4-[4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenyl]but-3-en-2-one","","CC(=O)C=CC1=CC=C(C=C1)NC2=C3C(=COC3=NC4=CC=CC=C42)Cl","SHSDFIRDJIRNEV-VOTSOKGWSA-N","5473262",NA,"PDBC06604","724686","Present"
-"(E)-4-[4-[(E)-4-Oxo-3,4-bis(2-thienyl)but-2-enoyl]phenyl]-1,2-bis(2-thienyl)but-2-ene-1,4-dione","","","","","","","","","","","","","","","","","","","","(E)-4-[4-[(E)-4-Oxo-3,4-bis(2-thienyl)but-2-enoyl]phenyl]-1,2-bis(2-thienyl)but-2-ene-1,4-dione","","C1=CSC(=C1)C(=CC(=O)C2=CC=C(C=C2)C(=O)C=C(C3=CC=CS3)C(=O)C4=CC=CS4)C(=O)C5=CC=CS5","KTYDKKDUECIXSH-SVJWQLCWSA-N","5467684",NA,"PDBC06605","657772","Present"
-"(E)-5-(4-Nitrobenzylideneamino)-6-(phenyl-amino)-1H-pyrazolo[3,4-b]pyridin-4(5H)-one","","","","","","","","","","","","","","","","","","","","(E)-5-(4-nitrobenzylideneamino)-6-(phenyl-amino)-1H-pyra...","","C1=CC=C(C=C1)NC2=NC3=C(C=NN3)C(=O)C2N=CC4=CC=C(C=C4)[N+](=O)[O-]","GHXSOKVBPRVLBQ-UHFFFAOYSA-N","377462",NA,"PDBC06606","658919","Present"
-"(E)-5-(Diethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide","","","","","","","","","","","","","","","","","","","","(E)-5-(Diethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide","","CCN(CC)CCC(=O)C=CC1=CC=C(C=C1)C.Br","YSVICOYQGGDJJK-ASTDGNLGSA-N","5386927",NA,"PDBC06607","618764","Present"
-"(E)-5-(Diethylamino)-1-[3-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one","","","","","","","","","","","","","","","","","","","","(E)-5-(Diethylamino)-1-[3-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one","","CCN(CC)CC(C)(C)C(=O)C=CC1=CC(=CC=C1)C=CC(=O)C(C)(C)CN(CC)CC","HDRJGNQSUZNENU-YWNVXTCZSA-N","5386924",NA,"PDBC06608","618762","Present"
-"(E)-5-(Diethylamino)-1-phenylpent-1-en-3-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(E)-5-(Diethylamino)-1-phenylpent-1-en-3-one;hydrochloride","","CCN(CC)CCC(=O)C=CC1=CC=CC=C1.Cl","ITPJAXDRHSZEEJ-ASTDGNLGSA-N","6519127",NA,"PDBC06609","678343","Present"
-"(E)-5-(Diethylamino)-4,4-dimethyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide","","","","","","","","","","","","","","","","","","","","(E)-5-(Diethylamino)-4,4-dimethyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide","","CCN(CC)CC(C)(C)C(=O)C=CC1=CC=C(C=C1)C.Br","LFYDERZZJPZNGL-UEIGIMKUSA-N","5351334",NA,"PDBC06610","382766","Present"
-"(E)-5-(Diethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide","","","","","","","","","","","","","","","","","","","","(E)-5-(Diethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide","","CCN(CC)CC(C)C(=O)C=CC1=CC=C(C=C1)C.Br","VHVQSYOUBOOKIY-CALJPSDSSA-N","5386931",NA,"PDBC06611","618766","Present"
-"(E)-5-(Dimethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide","","","","","","","","","","","","","","","","","","","","(E)-5-(Dimethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide","","CC1=CC=C(C=C1)C=CC(=O)CCN(C)C.Br","RBJSQEDIEYVFCP-HRNDJLQDSA-N","5386929",NA,"PDBC06612","618765","Present"
-"(E)-5-(Dimethylamino)-1-[4-[(E)-5-(dimethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one;hydrobromide","","","","","","","","","","","","","","","","","","","","(E)-5-(Dimethylamino)-1-[4-[(E)-5-(dimethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one;hydrobromide","","CC(C)(CN(C)C)C(=O)C=CC1=CC=C(C=C1)C=CC(=O)C(C)(C)CN(C)C.Br","LLCNJTVMQKSHEB-ACJWTMPUSA-N","5386916",NA,"PDBC06613","618758","Present"
-"(E)-5-(Methoxymethoxy)pent-2-enal","","","","","","","","","","","","","","","","","","","","(E)-5-(Methoxymethoxy)-2-pentenal","","COCOCCC=CC=O","ZTDPLQPYEJNDFA-NSCUHMNNSA-N","5386711",NA,"PDBC06614","617300","Present"
-"(E)-5-Morpholin-4-yl-1,2-diphenylpent-1-en-3-one;hydrochloride","","","","","","","","","","","","","","","","","","","","(E)-5-Morpholin-4-yl-1,2-diphenylpent-1-en-3-one;hydrochloride","","C1COCCN1CCC(=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3.Cl","UKJTXTPJFUCSKO-SJEOTZHBSA-N","5386798",NA,"PDBC06615","617826","Present"
-"(E)-6-(1,3-Benzodioxol-5-yl)-1-(1H-indol-3-yl)hex-5-ene-1,2,4-trione","","","","","","","","","","","","","","","","","","","","(E)-6-(1,3-Benzodioxol-5-yl)-1-(1H-indol-3-yl)hex-5-ene-1,2,4-trione","","C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC(=O)C(=O)C3=CNC4=CC=CC=C43","MRVHNVMGOGAEOT-FNORWQNLSA-N","5471505",NA,"PDBC06616","711810","Present"
-"(E)-6-(7-Hydroxy-5-hepten-1,3-diyn-1-yl)-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","(E)-6-(7-hydroxy-5-hepten-1,3-diyn-1-yl)-2H-pyran-2-one","","C1=CC(=O)OC(=C1)C#CC#CC=CCO","JAXSHCPIAIQSLW-HWKANZROSA-N","11171629",NA,"PDBC06617","730869","Present"
-"(E)-6-Bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene","","","","","","","","","","","","","","","","","","","","(E)-6-Bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene","","CC(C)C(CCC(=C(CCl)Cl)CBr)Br","UXRINMVIUVVTLH-CSKARUKUSA-N","5468477",NA,"PDBC06618","670810","Present"
-"(E)-7-Chloro-2-(4-chlorostyryl)-3-(3-methylisoxazol-5-yl)quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","7-Chloro-2-[(E)-2-(4-chlorophenyl)vinyl]-3-(3-methylisoxazol-5-yl)quinazolin-4-one","","CC1=NOC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C=CC4=CC=C(C=C4)Cl","JAVHQDGHLLPLMT-RUDMXATFSA-N","5467778",NA,"PDBC06619","659000","Present"
-"(E)-7-Methoxy-9-oxo-10,10,10-trichloro-7-decenoic acid methyl ester","","","","","","","","","","","","","","","","","","","","(E)-7-Methoxy-9-oxo-10,10,10-trichloro-7-decenoic acid methyl ester","","COC(=CC(=O)C(Cl)(Cl)Cl)CCCCCC(=O)OC","YZLUUILYTIAYIX-CMDGGOBGSA-N","5472241",NA,"PDBC06620","717163","Present"
-"(E)-8-Chlorozeatin","","","","","","","","","","","","","","","","","","","","(E)-8-Chlorozeatin","","CC(=CCNC1=NC=NC2=C1NC(=N2)Cl)CO","XSCZQAHMEBNLNQ-QHHAFSJGSA-N","5909120",NA,"PDBC06621","672186","Present"
-"(E)-9-(2-Cyanoethyl)zeatin","","","","","","","","","","","","","","","","","","","","(E)-9-(2-Cyanoethyl)zeatin","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC#N)CO","DCVCQYZTZWDEHV-XCVCLJGOSA-N","5468594",NA,"PDBC06622","672190","Present"
-"(E)-9-(Carbo-t-butoxyethyl)zeatin","","","","","","","","","","","","","","","","","","","","(E)-9-(Carbo-t-butoxyethyl)zeatin","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)OC(C)(C)C)CO","FZKFXYCZGZCKHA-LFYBBSHMSA-N","5468593",NA,"PDBC06623","672189","Present"
-"(E)-But-2-enedioic acid;1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine","","C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCC(CC4)N.C(=CC(=O)O)C(=O)O","CHFJFTVRZCQVDG-WLHGVMLRSA-N","5471308",NA,"PDBC06624","710333","Present"
-"(E)-But-2-enedioic acid;1-[2-(diethylamino)ethylamino]-2-methoxy-4-methylthioxanthen-9-one","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;1-[2-(diethylamino)ethylamino]-2-methoxy-4-methylthioxanthen-9-one","","CCN(CC)CCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3S2)C)OC.C(=CC(=O)O)C(=O)O","IXLUZVWSQPRRQS-WLHGVMLRSA-N","5359222",NA,"PDBC06625","302334","Present"
-"(E)-But-2-enedioic acid;2-(2,4-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;2-(2,4-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide","","CN(C1CCCCC1N2CCCC2)C(=O)CC3=C(C=C(C=C3)Cl)Cl.C(=CC(=O)O)C(=O)O","RSGMYCIRDPBWHR-WPJKWKJRSA-N","54611514",NA,"PDBC06626","708987","Present"
-"(E)-But-2-enedioic acid;2-(3,4-dichlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;2-(3,4-dichlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide","","C1CCN(C1)CCN(CCC2=CC(=C(C=C2)Cl)Cl)C(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=CC(=O)O)C(=O)O","UWPRYKZWYMSWBN-WLHGVMLRSA-N","5471108",NA,"PDBC06627","708565","Present"
-"(E)-But-2-enedioic acid;2-[4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]butyl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;2-[4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]butyl]isoindole-1,3-dione","","CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3COC4=CC=CC=C4O3.C(=CC(=O)O)C(=O)O","FEHWZTDFCWUJAA-WLHGVMLRSA-N","5471109",NA,"PDBC06628","708572","Present"
-"(E)-But-2-enedioic acid;6-[(6,7,8-trimethoxyquinazolin-4-yl)amino]hexyl nitrate","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;6-[(6,7,8-trimethoxyquinazolin-4-yl)amino]hexyl nitrate","","COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCCCCO[N+](=O)[O-])OC)OC.C(=CC(=O)O)C(=O)O","GNFMEYYBGDGASH-WLHGVMLRSA-N","6512032",NA,"PDBC06629","331974","Present"
-"(E)-But-2-enedioic acid;N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide","","C1CN(CCN1CCCNC=O)CCCNC=O.C(=CC(=O)O)C(=O)O","TVJHLIMFSDGSGH-WLHGVMLRSA-N","54611530",NA,"PDBC06630","707456","Present"
-"(E)-But-2-enedioic acid;N-methyl-2-naphthalen-2-ylsulfanyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;N-methyl-2-naphthalen-2-ylsulfanyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide","","CN(C1CCCCC1N2CCCC2)C(=O)CSC3=CC4=CC=CC=C4C=C3.C(=CC(=O)O)C(=O)O","WXQAWVIJANRBMP-AGCSEZHXSA-N","5471084",NA,"PDBC06631","708140","Present"
-"(E)-But-2-enedioic acid;N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-2-(2,4,5-trichlorophenoxy)acetamide","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-2-(2,4,5-trichlorophenoxy)acetamide","","CN(C1CCCCC1N2CCCC2)C(=O)COC3=CC(=C(C=C3Cl)Cl)Cl.C(=CC(=O)O)C(=O)O","PNDGADLFTHALSO-VRITYYCDSA-N","54611519",NA,"PDBC06632","708999","Present"
-"(E)-But-2-enedioic acid;tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate","","CC(C)(C)OC(=O)N(C)C1CCCCC1N2CCCC2.C(=CC(=O)O)C(=O)O","HHKWNXMSFLRNMP-NKTUFLPASA-N","5471028",NA,"PDBC06633","707467","Present"
-"(E)-Ethyl 2-((4-(1H-benzo[d]imidazol-2-yl)phenylamino)methylene)-3-oxo butanoate","","","","","","","","","","","","","","","","","","","","(E)-Ethyl 2-((4-(1H-benzo[d]imidazol-2-yl)phenylamino)me...","","CCOC(=O)C(=C(C)O)C=NC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2","CYYGNJSFNXBQJZ-MPKGINSESA-N","135585478",NA,"PDBC06634","730301","Present"
-"(E)-Ethyl 3-(pyridin-2-yl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl-(2-pyridyl)-acrylate","","CCOC(=O)C=CC1=CC=CC=N1","KLWMOCBNXFKZOS-VOTSOKGWSA-N","5371891",NA,"PDBC06635","643039","Present"
-"(E)-N'-[(2-Hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC3=CC=CC=C32)O","RGNFUPWYQNYCNG-XDHOZWIPSA-N","135545713",NA,"PDBC06636","142481","Present"
-"(E)-N,N-Dimethyl-2-(5-nitro-1,3,4-thiadiazol-2-yl)ethenamine","","","","","","","","","","","","","","","","","","","","(E)-N,N-Dimethyl-2-(5-nitro-1,3,4-thiadiazol-2-yl)ethenamine","","CN(C)C=CC1=NN=C(S1)[N+](=O)[O-]","VMVKEXPTGFUUTD-ONEGZZNKSA-N","6051815",NA,"PDBC06637","163055","Present"
-"(E)-N-(1-Butylsulfinyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","2-Propenamide, N-[2-(butylsulfinyl)-1-(hydroxymethyl)eth...","","CCCCS(=O)CC(CO)NC(=O)C=CC1=C(NC(=O)NC1=O)C","VTHCVIXENYOZQB-AATRIKPKSA-N","5358267",NA,"PDBC06638","241509","Present"
-"(E)-N-(1-Decylsulfanyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","NSC265473///NSC305458","","CCCCCCCCCCSCC(CO)NC(=O)C=CC1=C(NC(=O)NC1=O)C","DEXMFKROHRYHOD-VAWYXSNFSA-N","5351281",NA,"PDBC06639","265473///305458","Present"
-"(E)-N-(1-Hydroxy-4-methylpentan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","Uracil, 5-[2-[1-(hydroxymethyl)-3-methylbutyl]amino]- ca...","","CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CC(C)C)CO","KULVANYRQXOALD-SNAWJCMRSA-N","5351266",NA,"PDBC06640","224117","Present"
-"(E)-N-(2-Aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-N-(2-Aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]prop-2-enamide","","C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C=CC(=O)NC4=CC=CC=C4N","YRPFCLRPHUGURL-NTCAYCPXSA-N","11582279",NA,"PDBC06641","733254","Present"
-"(E)-N-(4-(Benzo[d]thiazol-2-yl)phenyl)-N'-(3-chlorophenyl)fo rmamidine","","","","","","","","","","","","","","","","","","","","(E)-N-(4-(Benzo[d]thiazol-2-yl)phenyl)-N'-(3-chloropheny...","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CNC4=CC(=CC=C4)Cl","AYZQBKMWBXRWCW-UHFFFAOYSA-N","24203981",NA,"PDBC06642","730302","Present"
-"(E)-N-(Oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine","","","","","","","","","","","","","","","","","","","","(E)-N-(Oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine","","C1CC2=CC=CC=C2C(=NOCC3CO3)C1","UICICMUEDFNVNQ-BUHFOSPRSA-N","5932316",NA,"PDBC06643","620326","Present"
-"(E)-N-Ethyl-7-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]hept-2-en-6-ynamide","","","","","","","","","","","","","","","","","","","","(E)-N-Ethyl-7-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]hept-2-en-6-ynamide","","CCNC(=O)C=CCCC#CC1=CC=C(S1)C2=CC=C(S2)C3=CC=CS3","MJQKFFOBZMKGQM-UXBLZVDNSA-N","5467584",NA,"PDBC06644","656082","Present"
-"(E)-N-Hydroxy-N-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]octadec-9-enamide","","","","","","","","","","","","","","","","","","","","(E)-N-Hydroxy-N-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]octadec-9-enamide","","CCCCCCCCC=CCCCCCCCC(=O)N(C1CC(OC1CO)N2C=C(C(=O)NC2=O)C)O","JRMOPFPNLNVTJB-ZHACJKMWSA-N","5467513",NA,"PDBC06645","654225","Present"
-"(E)-N-Pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine","","","","","","","","","","","","","","","","","","","","(E)-N-Pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine","","COC1=CC(=CC(=C1OC)OC)C=NC2=CC=CC=N2","ZRCLIVDBJWAMPG-LICLKQGHSA-N","9556386",NA,"PDBC06646","702334","Present"
-"(E)-N-[(3E)-3-[(1-Methylpyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-N-((E)-3-((1-methyl-1H-pyrrol-2-yl)methylene)-2-oxoi...","","CN1C=CC=C1C=C2C3=C(C=CC(=C3)NC(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC)NC2=O","NMPWPOIOHHXNIW-BFTAXVNQSA-N","155814645",NA,"PDBC06647","773177","Present"
-"(E)-N-[(E)-(4-Chlorophenyl)methylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-N-[(E)-(4-Chlorophenyl)methylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide","","COC1=CC(=C(C=C1)OC)C=CC(=O)NN=CC2=CC=C(C=C2)Cl","CIGSBCIJOLHRPQ-XWISFQRESA-N","54613060",NA,"PDBC06648","750916","Present"
-"(E)-N-[(E)-1-(1,3-Benzodioxol-5-yl)propan-2-ylideneamino]-3-methyl-1,3-benzothiazol-2-imine","","","","","","","","","","","","","","","","","","","","(E)-N-[(E)-1-(1,3-Benzodioxol-5-yl)propan-2-ylideneamino]-3-methyl-1,3-benzothiazol-2-imine","","CC(=NN=C1N(C2=CC=CC=C2S1)C)CC3=CC4=C(C=C3)OCO4","WUIUEJAHVQHSOR-WMNPJARVSA-N","6859588",NA,"PDBC06649","707105","Present"
-"(E)-N-[(E)-Benzylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-N-[(E)-Benzylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide","","COC1=CC(=C(C=C1)OC)C=CC(=O)NN=CC2=CC=CC=C2","LMHHCUGAQMREDD-UQNIYPKTSA-N","54613059",NA,"PDBC06650","750915","Present"
-"(E)-N-[2-(Pyridin-2-yl)isoindolin-1-ylidene]pyridin-2-amine","","","","","","","","","","","","","","","","","","","","(E)-N,2-Dipyridin-2-yl-3H-isoindol-1-imine","","C1C2=CC=CC=C2C(=NC3=CC=CC=N3)N1C4=CC=CC=N4","YRMQBVFWBSSPRJ-DYTRJAOYSA-N","9571798",NA,"PDBC06651","657194","Present"
-"(E)-N-[2-[(E)-2-[4-[Bis(2-chloroethyl)amino]phenyl]ethenyl]-1-ethylquinolin-1-ium-6-yl]-3-phenylprop-2-enamide;iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 2-[2-[4-[bis(2-chloroethyl)amino]phenyl] et...","","CC[N+]1=C(C=CC2=C1C=CC(=C2)NC(=O)C=CC3=CC=CC=C3)C=CC4=CC=C(C=C4)N(CCCl)CCCl.[I-]","YSXCTIUDJLDWMW-YLFUTEQJSA-N","54608103",NA,"PDBC06652","640085","Present"
-"(E)-N-[2-[(E)-Benzylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1-phenylmethanimine","","","","","","","","","","","","","","","","","","","","(E)-N-[2-[(E)-Benzylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1-phenylmethanimine","","C1=CC=C(C=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC=CC=C5","ILIZUSQBZQKXDN-RNIAWFEPSA-N","54611475",NA,"PDBC06653","708411","Present"
-"(E)-N-[4-(1-Benzoylpiperidine-4-yl)butyl]-3-(pyridin-3-yl)acrylamide","","","","","","","","","","","","","","","","","","","","(E)-N-[4-(1-benzoylpiperidine-4-yl)butyl]-3-(pyridin-3-y...","","C1CC(CN(C1)C(=O)C2=CC=CC=C2)CCCCNC(=O)C=CC3=CN=CC=C3","BMDQNDLEOMSJTJ-BUHFOSPRSA-N","18425712",NA,"PDBC06654","751605","Present"
-"(E)-N-[4-[(10-Oxoanthracen-9-ylidene)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","N1-4-[(10-oxo-9,10-dihydro-9-anthracenyliden)methyl]phen...","","C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)NC(=O)C=CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5C2=O","KXUWYIPBSNEOFZ-QGOAFFKASA-N","155805134",NA,"PDBC06655","761407","Present"
-"(E)-N-[[(1S,2S,4R,7E,11S)-4-Methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(E)-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-ox...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC","NDUDLZBGNUOZOU-MQNCMPQBSA-N","118245702",NA,"PDBC06656","783915","Present"
-"(E)-Phenyl(2-pyridinyl)methanone (6-chloro-4-pyrimidinyl)hydrazone","","","","","","","","","","","","","","","","","","","","(E)-Phenyl(2-pyridinyl)methanone (6-chloro-4-pyrimidinyl)hydrazone","","C1=CC=C(C=C1)C(=NNC2=CC(=NC=N2)Cl)C3=CC=CC=N3","JDPHMKIKVPGTDG-CJLVFECKSA-N","9571636",NA,"PDBC06657","693248","Present"
-"(E)-[(1R,9R)-2-[3-(1,3-Dioxolan-2-yl)propyl]-9-methyl-4-tricyclo[7.2.1.01,6]dodeca-2,7-dienylidene]thiourea","","","","","","","","","","","","","","","","","","","","(E)-[(1R,9R)-2-[3-(1,3-Dioxolan-2-yl)propyl]-9-methyl-4-tricyclo[7.2.1.01,6]dodeca-2,7-dienylidene]thiourea","","CC12CCC3(C1)C(CC(=NC(=S)N)C=C3CCCC4OCCO4)C=C2","XYZUMWZPCCNGOJ-PDZCUJTLSA-N","9572418",NA,"PDBC06658","715443","Present"
-"(E)-[(3E,5S,8R,9S,10S,13S,14S)-3-Hydrazinylidene-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydrazine","","","","","","","","","","","","","","","","","","","","(E)-[(3E,5S,8R,9S,10S,13S,14S)-3-Hydrazinylidene-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydrazine","","CC12CCC(=NN)CC1CCC3C2CCC4(C3CCC4=NN)C","VRWQSWPQZOPSJC-DGMZGMKWSA-N","24203758",NA,"PDBC06659","729371","Present"
-"(E)-[2-Acetyloxyethyl(4,5-dihydro-1H-imidazol-2-yl)amino]-[(4-cyanophenyl)methyl]-[(4-cyanophenyl)methylidene]azanium","","","","","","","","","","","","","","","","","","","","(E)-[2-Acetyloxyethyl(4,5-dihydro-1H-imidazol-2-yl)amino]-[(4-cyanophenyl)methyl]-[(4-cyanophenyl)methylidene]azanium","","","","",NA,"PDBC06660","669316","Present"
-"(E)-[4,5-Dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]-(pyridin-2-ylmethyl)-(pyridin-2-ylmethylidene)azanium","","","","","","","","","","","","","","","","","","","","(E)-[4,5-Dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]-(pyridin-2-ylmethyl)-(pyridin-2-ylmethylidene)azanium","","","","",NA,"PDBC06661","676176","Present"
-"(E)-[4,5-Dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]-[(2-hydroxyphenyl)methyl]-[(2-hydroxyphenyl)methylidene]azanium","","","","","","","","","","","","","","","","","","","","(E)-[4,5-Dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]-[(2-hydroxyphenyl)methyl]-[(2-hydroxyphenyl)methylidene]azanium","","","","",NA,"PDBC06662","669315","Present"
-"(E)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","(E)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl benzoate","","CCCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)C2=CC=CC=C2","MGLVTIFLCJBETJ-HMMYKYKNSA-N","5470626",NA,"PDBC06663","703754","Present"
-"(E)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","(E)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate","","CCCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)C2CCCCC2","TWJLJPPXHKRRIE-HMMYKYKNSA-N","5470628",NA,"PDBC06664","703756","Present"
-"(E)-[4-[3,5-Bis[3-methyl-5-[(Z)-oxidodiazenyl]oxadiazol-3-ium-4-yl]phenyl]-3-methyloxadiazol-3-ium-5-yl]-oxidodiazene","","","","","","","","","","","","","","","","","","","","(E)-[4-[3,5-Bis[3-methyl-5-[(Z)-oxidodiazenyl]oxadiazol-3-ium-4-yl]phenyl]-3-methyloxadiazol-3-ium-5-yl]-oxidodiazene","","C[N+]1=NOC(=C1C2=CC(=CC(=C2)C3=C(ON=[N+]3C)N=N[O-])C4=C(ON=[N+]4C)N=N[O-])N=N[O-]","KLDVUFNWGXSMAD-UHFFFAOYSA-N","54604789",NA,"PDBC06665","679182","Present"
-"(E)-benzylidene[?]dione","","","","","","","","","","","","","","","","","","","","(E)-benzylidene[?]dione","","C1=CC=C(C=C1)C=C2C=C3C4=C(C2=O)C=CC=C4C(=O)O3","VZKBZDSIMWBJAJ-FMIVXFBMSA-N","5468619",NA,"PDBC06666","672905","Present"
-"(E)-{2-(Hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methyl benzoate","","","","","","","","","","","","","","","","","","","","[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl benzoate","","CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C2=CC=CC=C2)C(C)C","LBUKYFWZBTXWFE-VCHYOVAHSA-N","5470630",NA,"PDBC06667","703758","Present"
-"(E)-{2-(Hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methylcyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl cyclohexanecarboxylate","","CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C2CCCCC2)C(C)C","MQVKKNWFZZUPHW-VCHYOVAHSA-N","5470632",NA,"PDBC06668","703760","Present"
-"(E)n-Methyl-[3-(4-methoxyphenyl)-2-(3,5-trimethoxyphenyl) prop-2-enoamide","","","","","","","","","","","","","","","","","","","","(E)n-Methyl-[3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphen...","","CNC(=O)C(=CC1=CC=C(C=C1)OC)C2=CC(=C(C(=C2)OC)OC)OC","KMVBZDDRSWCFSM-MHWRWJLKSA-N","5388755",NA,"PDBC06669","638410","Present"
-"(E,2S)-5-[Furan-2-yl(dimethyl)silyl]-3,4-dimethylpent-4-ene-2,3-diol","","","","","","","","","","","","","","","","","","","","(E,2S)-5-[Furan-2-yl(dimethyl)silyl]-3,4-dimethylpent-4-ene-2,3-diol","","CC(C(C)(C(=C[Si](C)(C)C1=CC=CO1)C)O)O","WJPKPPFYKVHHNN-DMGJVEMRSA-N","5471939",NA,"PDBC06670","715500","Present"
-"(E,2Z)-2-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-4-(furan-2-yl)but-3-enoic acid","","","","","","","","","","","","","","","","","","","","(E,2Z)-2-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-4-(furan-2-yl)but-3-enoic acid","","C1=COC(=C1)C=CC(=NNC2=NC(=CS2)C3=CC=C(C=C3)Cl)C(=O)O","JUIOKADOFQGSPV-REDRJSMASA-N","45029314",NA,"PDBC06671","746134","Present"
-"(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-methylpyrazol-3-imine","","","","","","","","","","","","","","","","","","","","(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-methylpyrazol-3-imine","","CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC4=CC=C(C=C4)Cl)C5=CC(=CC=C5)Cl","JGVGCPNWRCTDCO-SYTCHUCDSA-N","9572376",NA,"PDBC06672","713653","Present"
-"(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-imine","","","","","","","","","","","","","","","","","","","","(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-imine","","CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC4=CC=C(C=C4)OC)C5=CC(=CC=C5)Cl","HILUSMUKIRNDAQ-AZMYRNFYSA-N","9572377",NA,"PDBC06673","713691","Present"
-"(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-imine","","","","","","","","","","","","","","","","","","","","(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-imine","","CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC4=CC=CS4)C5=CC(=CC=C5)Cl","KYWQXXRXPNWENK-OQJKFJKISA-N","9572378",NA,"PDBC06674","713692","Present"
-"(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-imine","","","","","","","","","","","","","","","","","","","","(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-imine","","CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC=CC4=CC=CC=C4)C5=CC(=CC=C5)Cl","CKNPWBDTMZUQJU-RYNKFETMSA-N","9572374",NA,"PDBC06675","713649","Present"
-"(E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-(1-methyl-3-phenyl-2-propenyl...","","CC(=NNC(=S)N)C=CC1=CC=CC=C1","AIVYBZNYDAYFOK-NJHPPEEMSA-N","5405847",NA,"PDBC06676","306890","Present"
-"(E,E)-3-Phenyl-N-[2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]prop-2-en-1-imine","","","","","","","","","","","","","","","","","","","","(E,E)-3-Phenyl-N-[2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]prop-2-en-1-imine","","C1=CC=C(C=C1)C=CC=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC=CC5=CC=CC=C5","SYYDSYLPBWHQQQ-UWSNULGSSA-N","54611483",NA,"PDBC06677","708413","Present"
-"(E,E,E)-4,5-Dibromo-octa-2,4,6-trienedioic acid diethyl ester","","","","","","","","","","","","","","","","","","","","Diethyl (2E,4E,6E)-4,5-dibromoocta-2,4,6-trienedioate","","CCOC(=O)C=CC(=C(C=CC(=O)OCC)Br)Br","JEAIMWLUSUWICZ-BISOHRNISA-N","5471322",NA,"PDBC06678","710444","Present"
-"(E,Z)-Farnesol","","","","","","","","","","","","","","","","","","","","farnesol","","CC(=CCCC(=CCCC(=CCO)C)C)C","CRDAMVZIKSXKFV-GNESMGCMSA-N","1549109",NA,"PDBC06679","60597","Present"
-"(E/Z)-6,7-Dichloro-3-(3,5-dibromo-4-hydroxybenzylidene)-indolin-2-one","","","","","","","","","","","","","","","","","","","","(3Z)-6,7-Dichloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one","","C1=CC(=C(C2=C1C(=CC3=CC(=C(C(=C3)Br)O)Br)C(=O)N2)Cl)Cl","XXEUCGGVUVJTEB-BAQGIRSFSA-N","45486324",NA,"PDBC06680","748498","Present"
-"(Ethane-1,2-diyl)bis[(methylazanediyl)-3-oxopropane-3,1-diyl] dimethanesulfonate","","","","","","","","","","","","","","","","","","","","Propanamide, N,N'-1,2-ethanediylbis[N-methyl-3-[(methyls...","","CN(CCN(C)C(=O)CCOS(=O)(=O)C)C(=O)CCOS(=O)(=O)C","LLKSYYZEMPKURW-UHFFFAOYSA-N","328851",NA,"PDBC06681","309546","Present"
-"(Ethyl(3-pyridinylcarbonyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","(Ethyl(3-pyridinylcarbonyl)amino)acetic acid","","CCN(CC(=O)O)C(=O)C1=CN=CC=C1","WVPKAYWTSQEKOU-UHFFFAOYSA-N","234303",NA,"PDBC06682","34003","Present"
-"(Exo)-Spiro[9,4)]nonane-6,2'-[1,3]dioxolane","","","","","","","","","","","","","","","","","","","","(exo)-Spiro[9,9-dimethyl-[3]-oxatricyclo[3.33.1.0(sup 2,...","","CC1(C2CCC3(C1C4C2O4)OCCO3)C","YHJKNGZRZWKGQZ-UHFFFAOYSA-N","373583",NA,"PDBC06683","650036","Present"
-"(Fluoren-9-ylideneamino) hydrogen sulfate; tetrabutylammonium","","","","","","","","","","","","","","","","","","","","Tetrabutylammonium salt of 9-fluorenone oxime O-sulfonic...","","CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C2C(=C1)C3=CC=CC=C3C2=NOS(=O)(=O)[O-]","HXFYLRNKUVSGRO-UHFFFAOYSA-M","389738",NA,"PDBC06684","686335","Present"
-"(Hydroxymethoxy)N-methylpyrrolopyrrolizinones","","","","","","","","","","","","","","","","","","","","(hydroxymethoxy)N-methylpyrrolopyrrolizinones","","CN1C=C(C2=C1C(=O)C3=CC=CN32)C4=CC(=C(C=C4)OC)O","LCXYQACKMYONLW-UHFFFAOYSA-N","16061747",NA,"PDBC06685","733670","Present"
-"(Inverted exclamation markA)-BAY-1251152","","","","","","","","","","","","","","","","","","","","BAY-1251152","","COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)CS(=N)(=O)C","YZCUMZWULWOUMD-UHFFFAOYSA-N","74767009",NA,"PDBC06686","802450","Present"
-"(Isopropylthio)(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","(Isopropylthio)(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid","","CC(C)SC(C(=O)O)NC(=O)C1C(CCC1(C)C)(C)C","DKRJRYNVYOLEFY-UHFFFAOYSA-N","383822",NA,"PDBC06687","672439","Present"
-"(Methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","(Methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid","","CN(CC1=C(C(=CC(=C1Cl)Cl)Cl)O)CC(=O)O","AFNKCFYOQROHMA-UHFFFAOYSA-N","239729",NA,"PDBC06688","45114","Present"
-"(Methyl(2-naphthylsulfonyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","CBKinase1_005908","","CN(CC(=O)O)S(=O)(=O)C1=CC2=CC=CC=C2C=C1","ZBJPWSYUZNLAFO-UHFFFAOYSA-N","362746",NA,"PDBC06689","627001","Present"
-"(Methylsulfonylmethyldisulfanyl)-(methylsulfonylmethylsulfanyl)methane","","","","","","","","","","","","","","","","","","","","Dysoxysulfone","","CS(=O)(=O)CSCSSCS(=O)(=O)C","QIPXXEUDYHUIPF-UHFFFAOYSA-N","373382",NA,"PDBC06690","649609","Present"
-"(Methyl{4-[2-(quinolin-4-yl)ethenyl]phenyl} amino)acetic acid","","","","","","","","","","","","","","","","","","","","(Methyl{4-[2-(quinolin-4-yl)ethenyl]phenyl} amino)acetic...","","CN(CC(=O)O)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23","QAJCAHJKOXUFFT-RMKNXTFCSA-N","6052943",NA,"PDBC06691","408407","Present"
-"(N,N'-Dibenzylcarbamimidoyl)urea;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC650955","","C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)NC(=O)N.Cl","QJLJKKKEZFRQGH-UHFFFAOYSA-N","373925",NA,"PDBC06692","650955","Present"
-"(N,N'-Dicyclohexylcarbamimidoyl) (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate","","","","","","","","","","","","","","","","","","","","(N,N'-Dicyclohexylcarbamimidoyl) (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate","","CON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(=NC5CCCCC5)NC6CCCCC6","HNSCNDGVQLCDCE-FCSWHQHPSA-N","5879461",NA,"PDBC06693","660851","Present"
-"(NE)-4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)-N-[[4-(dimethylamino)phenyl]methylidene]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NE)-4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)-N-[[4-(dimethylamino)phenyl]methylidene]benzenesulfonamide","","CN(C)C1=CC=C(C=C1)C=NS(=O)(=O)C2=CC=C(C=C2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C5=CC=CC=C5","OKZUSJIBICOGLS-KCSSXMTESA-N","45027917",NA,"PDBC06694","740120","Present"
-"(NE)-N-(1-phenanthren-3-ylethylidene)hydroxylamine","","","","","","","","","","","","","","","","","","","","NSC140373","","CC(=NO)C1=CC2=C(C=CC3=CC=CC=C32)C=C1","KBJZNSAZGOKTFN-GZTJUZNOSA-N","9561058",NA,"PDBC06695","140373","Present"
-"(NE)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NE)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=CS5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CS8","JIBSJWOKGFTYCU-MHAUTQJVSA-N","24204649",NA,"PDBC06696","732401","Present"
-"(NE)-N-(3-benzoyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NE)-N-(3-benzoyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=O)CS5)C(=O)C6=CC=CC=C6)C7=CC=CS7","DRXPULLNWGHZEU-NHQGMKOOSA-N","24204651",NA,"PDBC06697","732403","Present"
-"(NE)-N-(3-benzyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NE)-N-(3-benzyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","C1CSC(=NS(=O)(=O)C2=CC=C(C=C2)N3C(C4CC5=CC=CC=C5C4=N3)C6=CC=CS6)N(C1=O)CC7=CC=CC=C7","KUIPSFPMOTZLOV-QOSDPKFLSA-N","24204644",NA,"PDBC06698","732396","Present"
-"(NE)-N-(5-oxo-3-phenyl-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NE)-N-(5-oxo-3-phenyl-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(CC(=O)CS5)C6=CC=CC=C6)C7=CC=CS7","UOSBZFAOACWLQM-NHQGMKOOSA-N","24204650",NA,"PDBC06699","732402","Present"
-"(NE)-N-(6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride","","","","","","","","","","","","","","","","","","","","(NE)-N-(6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride","","C1C(C2=C(SC(=C2C1=NO)Cl)Cl)N.Cl","ISFFOBTVVAKNTM-KODGKZAJSA-N","9572058",NA,"PDBC06700","697525","Present"
-"(NE)-N-(6-amino-1,3-diiodo-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride","","","","","","","","","","","","","","","","","","","","(NE)-N-(6-amino-1,3-diiodo-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride","","C1C(C2=C(SC(=C2C1=NO)I)I)N.Cl","GEMPNSJAMLYORI-KODGKZAJSA-N","9572057",NA,"PDBC06701","697524","Present"
-"(NE)-N-(9H-fluoren-9-ylmethylidene)hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-(9H-fluoren-9-ylmethylidene)hydroxylamine","","C1=CC=C2C(=C1)C(C3=CC=CC=C32)C=NO","HHXFPUAHUDLFEA-OQLLNIDSSA-N","9562446",NA,"PDBC06702","126782","Present"
-"(NE)-N-[(2E,4E)-5-(dimethylamino)-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]penta-2,4-dienylidene]-1,1,1-trifluoromethanesulfonamide","","","","","","","","","","","","","","","","","","","","(NE)-N-[(2E,4E)-5-(dimethylamino)-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]penta-2,4-dienylidene]-1,1,1-trifluoromethanesulfonamide","","CN(C)C=CC=C(C=NS(=O)(=O)C(F)(F)F)C1C=CN(C=C1)S(=O)(=O)C(F)(F)F","DSSPGWGOXYWEBC-QWYOPQJPSA-N","9572132",NA,"PDBC06703","704375","Present"
-"(NE)-N-[(3E,5S,8R,9S,10S,13S,14S)-3-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[(3E,5S,8R,9S,10S,13S,14S)-3-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","CC12CCC(=NO)CC1CCC3C2CCC4(C3CCC4=NO)C","VSOSHXRSNPGDSE-HMOCUJAASA-N","24203754",NA,"PDBC06704","729364","Present"
-"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","CC12CCC(=NO)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC)OC)C4=NO)C","TXTMCSYQNDSQST-MBHGGMOTSA-N","9572443",NA,"PDBC06705","716260","Present"
-"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-3-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-3-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","CC12CCC(=NO)C=C1CCC3C2CCC4(C3CC(=CC5=CN=CC=C5)C4=NO)C","BROWXOPUZORSLX-IQBHFBCUSA-N","9572510",NA,"PDBC06706","718810","Present"
-"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","CC12CCC(=NO)C=C1CCC3C2CCC4(C3CC(=CC5=CC=NC=C5)C4=NO)C","XFNNZVHRRXGRCM-QSWWXAKASA-N","135436267",NA,"PDBC06707","716561","Present"
-"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","CC12CCC(=NO)C=C1CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4=NO)C","DESWPBOUGFADNV-MSABATKVSA-N","9572506",NA,"PDBC06708","718183","Present"
-"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","CC12CCC(=NO)C=C1CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)OC)C4=NO)C","NWZJBNJSYJRIAZ-VKVNZMKESA-N","9572454",NA,"PDBC06709","716564","Present"
-"(NE)-N-[(3S,8R,10R,13S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[(3S,8R,10R,13S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","CC12CCC3C(C1CCC2=NO)CC=C4C3(CCC(C4)OC5CCCCO5)C","VREWEALEZAJOQR-FMGSIHJKSA-N","9569954",NA,"PDBC06710","629223","Present"
-"(NE)-N-[(4E)-1,3-dibromo-4-hydroxyiminocyclopenta[c]thiophen-6-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[(4E)-1,3-dibromo-4-hydroxyiminocyclopenta[c]thiophen-6-ylidene]hydroxylamine","","C1C(=NO)C2=C(SC(=C2C1=NO)Br)Br","PUIUOZJBQWAZHU-NXOFHUPFSA-N","9572130",NA,"PDBC06711","704124","Present"
-"(NE)-N-[(8R,10R,13S,17S)-10,13-dimethyl-17-(oxan-2-yloxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[(8R,10R,13S,17S)-10,13-dimethyl-17-(oxan-2-yloxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine","","CC12CCC3C(C1CCC2OC4CCCCO4)CCC5=CC(=NO)CCC35C","XRCIYJJTNSAVKA-MBWNAKBLSA-N","9569961",NA,"PDBC06712","629230","Present"
-"(NE)-N-[(8R,13S,16E)-16-hydroxyimino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[(8R,13S,16E)-16-hydroxyimino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine","","CC12CCC3C(C1CC(=NO)C2=NO)CCC4=C3C=CC(=C4)OC","NMUVSECAZHSGNB-OEUFEACZSA-N","135499352",NA,"PDBC06713","653948","Present"
-"(NE)-N-[1-(9-bromophenanthren-3-yl)ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-(9-bromophenanthren-3-yl)ethylidene]hydroxylamine","","CC(=NO)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br","MNNDVSWQIULTHP-VCHYOVAHSA-N","5351779",NA,"PDBC06714","44477","Present"
-"(NE)-N-[1-[(3R,6E,8R,11S,12S,15S,16R)-6-hydroxyimino-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-[(3R,6E,8R,11S,12S,15S,16R)-6-hydroxyimino-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethylidene]hydroxylamine","","CC(=NO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=NO)C5(C)C)C)C","FELIHRKJMZGYPM-JNQJMZCHSA-N","24204297",NA,"PDBC06715","731283","Present"
-"(NE)-N-[1-[3-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-[3-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","PHLZTBMCHHIBOJ-WSDLNYQXSA-N","9572574",NA,"PDBC06716","720565","Present"
-"(NE)-N-[1-[3-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-[3-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CN=C4","SWTWFHPLHCSIEM-ZVHZXABRSA-N","24204873",NA,"PDBC06717","733303","Present"
-"(NE)-N-[1-[3-[[4-(triazol-1-yl)quinolin-2-yl]amino]phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-[3-[[4-(triazol-1-yl)quinolin-2-yl]amino]phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CN=N4","IKIYUTFWLWRNIO-YDZHTSKRSA-N","24204874",NA,"PDBC06718","733304","Present"
-"(NE)-N-[1-[4-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-[4-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","BDCDYSPYGPCUPP-WSDLNYQXSA-N","9572572",NA,"PDBC06719","720561","Present"
-"(NE)-N-[1-[4-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-[4-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","BYUSNMVMDMMGRC-JVWAILMASA-N","11589053",NA,"PDBC06720","727473","Present"
-"(NE)-N-[1-[4-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-[4-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC=C(C=C1)NC2=C3C4=C(C=C(C=C4)OC)C(=C3C5=CC=CC=C5N2)N=O","JAJITLIZYOPRFB-CCVNUDIWSA-N","24205213",NA,"PDBC06721","734631","Present"
-"(NE)-N-[1-[4-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-[4-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4","IYGCCIPBALYFHI-JFLMPSFJSA-N","135585428",NA,"PDBC06722","727454","Present"
-"(NE)-N-[2-[4-methoxy-2-(methoxymethoxy)phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[2-[4-methoxy-2-(methoxymethoxy)phenyl]ethylidene]hydroxylamine","","COCOC1=C(C=CC(=C1)OC)CC=NO","ZGBIEVFQVXVPHP-WUXMJOGZSA-N","9572152",NA,"PDBC06723","705161","Present"
-"(NE)-N-[[(4R,4aR,8aS)-4-prop-2-enyl-2-(2-trimethylsilylethylsulfonyl)-1,3,4a,5,8,8a-hexahydroisoquinolin-4-yl]methylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[[(4R,4aR,8aS)-4-prop-2-enyl-2-(2-trimethylsilylethylsulfonyl)-1,3,4a,5,8,8a-hexahydroisoquinolin-4-yl]methylidene]hydroxylamine","","C[Si](C)(C)CCS(=O)(=O)N1CC2CC=CCC2C(C1)(CC=C)C=NO","VLUDRRNHOOXKMS-VWQWLJPISA-N","9572081",NA,"PDBC06724","701978","Present"
-"(NE)-N-[[3-(3,4,4-trimethyl-5H-1,3-oxazol-3-ium-2-yl)pyridin-2-yl]methylidene]hydroxylamine;iodide","","","","","","","","","","","","","","","","","","","","(NE)-N-[[3-(3,4,4-trimethyl-5H-1,3-oxazol-3-ium-2-yl)pyridin-2-yl]methylidene]hydroxylamine;iodide","","CC1(COC(=[N+]1C)C2=C(N=CC=C2)C=NO)C.[I-]","AKOQTFJADSNOME-UHFFFAOYSA-N","135499214",NA,"PDBC06725","644881","Present"
-"(NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","NSC624726","","C1CCN(CC1)C(=NO)C2=CC=CC=C2","UVXXXESJTHCKLS-OUKQBFOZSA-N","5367900",NA,"PDBC06726","624726","Present"
-"(NZ)-4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)-N-(4-oxo-3-phenyl-1,3-thiazinan-2-ylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NZ)-4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)-N-(4-oxo-3-phenyl-1,3-thiazinan-2-ylidene)benzenesulfonamide","","CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=O)CCS5)C6=CC=CC=C6","WCLNYIAQQWJWPM-HYOGKJQXSA-N","24203727",NA,"PDBC06727","729206","Present"
-"(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)benzenesulfonamide","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=CS5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)Cl","OZQYHDZBMAQHTR-CUXNAULPSA-N","24204757",NA,"PDBC06728","732739","Present"
-"(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=O)CS5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl","YDSCWZVNGNBYGS-NMSHJFGGSA-N","24204756",NA,"PDBC06729","732738","Present"
-"(NZ)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-[3-(4-methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NZ)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-[3-(4-methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide","","CC1=CC=C(C=C1)C2C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)N=C6N(C(=CS6)C7=CC=CC=C7)C8=CC=CC=C8","DKYWLJXMQSKSHG-QMRMMQACSA-N","24204765",NA,"PDBC06730","732747","Present"
-"(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","C1CSC(=NS(=O)(=O)C2=CC=C(C=C2)N3C(C4CC5=CC=CC=C5C4=N3)C6=CC=CS6)N(C1=O)C(=O)C7=CC=CC=C7","MCXNHKYNJCADQB-FPODKLOTSA-N","24204653",NA,"PDBC06731","732405","Present"
-"(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)benzenesulfonamide","","CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=O)CS5)C(=O)C6=CC=CC=C6","COIYXZXSUVVNTF-HYOGKJQXSA-N","24203726",NA,"PDBC06732","729205","Present"
-"(NZ)-N-(3-benzoyl-4-phenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NZ)-N-(3-benzoyl-4-phenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=CS5)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)C8=CC=CS8","FOFXLQUHNSTOPF-WASYMBJWSA-N","24204652",NA,"PDBC06733","732404","Present"
-"(NZ)-N-(4H-thiochromen-3-ylidene)hydroxylamine","","","","","","","","","","","","","","","","","","","","NSC664541","","C1C(=NO)CSC2=CC=CC=C21","IANGBPVSWNHCGC-NTMALXAHSA-N","5465846",NA,"PDBC06734","664541","Present"
-"(NZ)-N-[(2E)-1-(10,10-dioxophenoxathiin-2-yl)-2-hydroxyiminoethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[(2E)-1-(10,10-dioxophenoxathiin-2-yl)-2-hydroxyiminoethylidene]hydroxylamine","","C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)C(=NO)C=NO","YPSPHLYMTABLQK-FAYHMPLTSA-N","135436312",NA,"PDBC06735","718149","Present"
-"(NZ)-N-[(2E)-2-hydroxyimino-1-phenoxathiin-2-ylethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[(2E)-2-hydroxyimino-1-phenoxathiin-2-ylethylidene]hydroxylamine","","C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=NO)C=NO","UNNQAUVGPPNVGU-FAYHMPLTSA-N","135436313",NA,"PDBC06736","718152","Present"
-"(NZ)-N-[(3Z)-1-ethyl-3-hydroxyimino-azacyclotridec-4-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[(3Z)-1-ethyl-3-hydroxyimino-azacyclotridec-4-ylidene]hydroxylamine","","CCN1CCCCCCCCCC(=NO)C(=NO)C1","PIMCFRYVIVJDQI-VMNXYWKNSA-N","135509536",NA,"PDBC06737","100225","Present"
-"(NZ)-N-[(4E)-1-benzyl-4-hydroxyimino-8-morpholin-4-yl-10-tricyclo[5.3.1.03,8]undecanylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","2,6-bishydroxyimino-4-(4-morpholinyl)-1-phenylmethyl tri...","","C1CC(=NO)C2CC3(CC1C2(CC3=NO)N4CCOCC4)CC5=CC=CC=C5","QNEAMANBFQKGEZ-CBAIGBLSSA-N","5904243",NA,"PDBC06738","666706","Present"
-"(NZ)-N-[(4Z)-4-hydroxyimino-8-morpholin-4-yl-1-prop-1-en-2-yl-10-tricyclo[5.3.1.03,8]undecanylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","2,6-Bishydroxyimino-1-isopropenyl-4(N-morpholino)tricycl...","","CC(=C)C12CC3CCC(=NO)C(C1)C3(CC2=NO)N4CCOCC4","JHANOPFUTJSLLU-IKBKFCNISA-N","6141253",NA,"PDBC06739","674057","Present"
-"(NZ)-N-[1-[(9E)-9-hydroxyiminofluoren-2-yl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[1-[(9E)-9-hydroxyiminofluoren-2-yl]ethylidene]hydroxylamine","","CC(=NO)C1=CC2=C(C=C1)C3=CC=CC=C3C2=NO","NTBKDTVVDKHXEL-KKWCCJFHSA-N","135509644",NA,"PDBC06740","109583","Present"
-"(NZ)-N-[1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4","CFFACRWPWIZWGJ-VYYCAZPPSA-N","9572584",NA,"PDBC06741","721040","Present"
-"(NZ)-N-[1-[3-[(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[1-[3-[(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC(=CC=C1)NC2=NC3=C(C=C(C=C3)Cl)C4=C2C5=CC=CC=C5N4","XWLBCQQXNSTOCR-QDTIIGTASA-N","9572586",NA,"PDBC06742","721042","Present"
-"(NZ)-N-[1-[3-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[1-[3-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","KAGMDPAMBBYQEG-YUMHPJSZSA-N","24203283",NA,"PDBC06743","727486","Present"
-"(NZ)-N-[1-[3-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[1-[3-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC(=CC=C1)NC2=C3C4=C(C=C(C=C4)OC)C(=C3C5=CC=CC=C5N2)N=O","ARZPKOMJZQRMCB-MUXKCCDJSA-N","24205215",NA,"PDBC06744","734633","Present"
-"(NZ)-N-[1-[3-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[1-[3-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC(=CC=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4","JJHNTJPJDYVKOQ-DICXZTSXSA-N","24203263",NA,"PDBC06745","727456","Present"
-"(NZ)-N-[1-[4-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-[4-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42","BVRYLKZGGGMMGM-WSDLNYQXSA-N","9572568",NA,"PDBC06746","720553","Present"
-"(NZ)-N-[1-[4-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[1-[4-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CN=C4","DLIQDTCDTLRXIS-OYKKKHCWSA-N","24204871",NA,"PDBC06747","733301","Present"
-"(NZ)-N-[3,5-bis(2-methyl-1H-indol-3-yl)-4,5-dihydrooxazin-6-ylidene]hydroxylamine","","","","","","","","","","","","","","","","","","","","(NZ)-N-[3,5-bis(2-methyl-1H-indol-3-yl)-4,5-dihydrooxazin-6-ylidene]hydroxylamine","","CC1=C(C2=CC=CC=C2N1)C3CC(=NOC3=NO)C4=C(NC5=CC=CC=C54)C","KBMPJPPAULXXFY-LVWGJNHUSA-N","135510090",NA,"PDBC06748","627403","Present"
-"(NZ)-N-[4-[4-[(2Z)-2-(oxohydrazinylidene)-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl]-3-prop-2-enyl-1,3-thiazol-2-ylidene]nitrous amide","","","","","","","","","","","","","","","","","","","","(NZ)-N-[4-[4-[(2Z)-2-(oxohydrazinylidene)-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl]-3-prop-2-enyl-1,3-thiazol-2-ylidene]nitrous amide","","C=CCN1C(=CSC1=NN=O)C2=CC=C(C=C2)C3=CSC(=NN=O)N3CC=C","SLADPVDBQVKRBD-CLFAGFIQSA-N","9571534",NA,"PDBC06749","681077","Present"
-"(Naphthylamino)-N-(1,2,4-triazol-4-yl)carboxamide","","","","","","","","","","","","","","","","","","","","1-Naphthalen-1-yl-3-(4h-1,2,4-triazol-4-yl)urea","","C1=CC=C2C(=C1)C=CC=C2NC(=O)NN3C=NN=C3","QQGHJCMCDDTUAE-UHFFFAOYSA-N","393651",NA,"PDBC06750","695916","Present"
-"(Naphthylamino)-N-{12-[(naphthylamino)carbonylamino]dodecyl}carboxamide","","","","","","","","","","","","","","","","","","","","1-Naphthalen-1-yl-3-[12-(naphthalen-1-ylcarbamoylamino)dodecyl]urea","","C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCCCCCCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43","MUESJHKSFSWOCI-UHFFFAOYSA-N","387933",NA,"PDBC06751","682238","Present"
-"(Phenylindolyl)maleimide deriv. 67","","","","","","","","","","","","","","","","","","","","NSC767246","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","NQCRLEIXYKDVLE-UHFFFAOYSA-N","5327709",NA,"PDBC06752","767246","Present"
-"(Phenylsulfonimidoyl)benzene","","","","","","","","","","","","","","","","","","","","diphenyl sulfoximine","","C1=CC=C(C=C1)S(=N)(=O)C2=CC=CC=C2","KNPJTNDEHOFWKA-UHFFFAOYSA-N","425251",NA,"PDBC06753","172172","Present"
-"(Phenylsulfonyl)(3-pyridylquinoxalin-2-yl)amine","","","","","","","","","","","","","","","","","","","","(Phenylsulfonyl)(3-pyridylquinoxalin-2-yl)amine","","C1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2[N+]4=CC=CC=C4","CEKPABPRVXCBGR-UHFFFAOYSA-N","389590",NA,"PDBC06754","685893","Present"
-"(Pyridin-2-yl)([1,2,3]triazolo[1,5-a]pyridin-3-yl)methanone","","","","","","","","","","","","","","","","","","","","4-Picolinoyl-1,5-[1,3]butadieno-1H-1,2,3-triazole","","C1=CC=NC(=C1)C(=O)C2=C3C=CC=CN3N=N2","QKGQBNBVZVLUKT-UHFFFAOYSA-N","304359",NA,"PDBC06755","196166","Present"
-"(Pyridin-4ylmethylene-hydrazinocarbonylmethylsulfanyl)acetic acid (pyridin-4ylmethylene)-hydrazide","","","","","","","","","","","","","","","","","","","","(pyridin-4ylmethylene-hydrazinocarbonylmethylsulfanyl)ac...","","C1=CN=CC=C1C=NNC(=O)CSCC(=O)NN=CC2=CC=NC=C2","DNDPSPUWOCYRRC-LQGKIZFRSA-N","9572693",NA,"PDBC06756","724345","Present"
-"(Pyridine-3-carbonylamino)methylphosphonic acid","","","","","","","","","","","","","","","","","","","","(nicatinamidomethyl)phosphonic acid","","C1=CC(=CN=C1)C(=O)NCP(=O)(O)O","VJTVPFYNVMKBDX-UHFFFAOYSA-N","274553",NA,"PDBC06757","120639","Present"
-"(R)-(-)-Gossypol acetic acid","","","","","","","","","","","","","","","","","","","","(R)-(-)-Gossypol acetic acid","","CCCCCC.CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(C)(C)OC","SVLQCNGYVGQCDS-UHFFFAOYSA-N","24203396",NA,"PDBC06758","727859","Present"
-"(R)-(6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol","","","","","","","","","","","","","","","","","","","","(R)-(6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol","","CC1(OCC(O1)C2C(OC(O2)(C)C)C(C3=NN=C4N3N=C(C=C4)Cl)O)C","VPVFCQMNIQIZHC-GHORINQJSA-N","397774",NA,"PDBC06759","706197","Present"
-"(R)-13-(3-Aminopyrrolidin-1-yl)-12-fluoro-10-oxo-10H-naphtho[1,2-c]pyrido[3,2,1-kl]phenoxazine-9-carboxylic acid","","","","","","","","","","","","","","","","","","","","18-[(3R)-3-Aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.05,14.06,11.021,25]pentacosa-2(15),3,5(14),6,8,10,12,17(25),18,20,23-undecaene-23-carboxylic acid","","C1CN(CC1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=CC6=C5C=CC7=CC=CC=C76)F","ODUKWYWEUZJFKM-OAHLLOKOSA-N","400718",NA,"PDBC06760","713082","Present"
-"(R)-2-(Methylthio)-4-phenyl-2-thiazoline","","","","","","","","","","","","","","","","","","","","NSC689733","","CSC1=NC(CS1)C2=CC=CC=C2","XFLWFNGULCPZSB-VIFPVBQESA-N","391115",NA,"PDBC06761","689733","Present"
-"(R)-2-Chloro-N-(2-(5-(dimethylamino)naphthalene-1-sulfonamido)ethyl)-4-((2-((1-hydroxy-3-methylbutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)benzamide","","","","","","","","","","","","","","","","","","","","(R)-2-chloro-N-(2-(5-(dimethylamino)naphthalene-1-sulfon...","","CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)C(=O)NCCNS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)Cl","NJNQGMFCZFMREY-MHZLTWQESA-N","44626421",NA,"PDBC06762","768637","Present"
-"(R)-3-Hydroxy-4-phenoxybutanenitrile","","","","","","","","","","","","","","","","","","","","NSC666729","","C1=CC=C(C=C1)OCC(CC#N)O","KJJPPYGFSUFUAH-SECBINFHSA-N","380943",NA,"PDBC06763","666729","Present"
-"(R)-3-Methyl-4-(4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-3-yl)-1,7-naphthyridin-2-yl)morpholine","","","","","","","","","","","","","","","","","","","","BAY-1895344///BAY1895344","","CC1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C","YBXRSCXGRPSTMW-CYBMUJFWSA-N","118869362",NA,"PDBC06764","800525///817275","Present"
-"(R)-4-((1R,8E,10Z,12S,15R,17R)-17-Hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl)-3-(hydroxymethyl)thiazolidin-2-one","","","","","","","","","","","","","","","","","","","","(R)-4-((1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimeth...","","CC1CCC2CC(CC(O2)(C3CSC(=O)N3CO)O)OC(=O)C=C(CCC=CC=C1)C","KPHFCEHLXFRNMH-PGZQALPFSA-N","46239449",NA,"PDBC06765","749377","Present"
-"(R)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6,7-dihydro-6-(3-m...","","COC1=CC=CC(=C1)C2CC(=O)C3=CC4=C(C=C3N2)OCO4","IIXRKOHTDRHQQN-CYBMUJFWSA-N","395559",NA,"PDBC06766","700265","Present"
-"(R)-Duloxetine hydrochloride","","","","","","","","","","","","","","","","","","","(R)-Duloxetine hydrochloride","","","CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl","BFFSMCNJSOPUAY-UNTBIKODSA-N","23656722",NA,"PDBC06767","","Absent"
-"(R)-Mahanine","","","","","","","","","","","","","","","","","","","","(R)-Mahanine","","CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=C2C=CC(=C4)O","DWMBXHWBPZZCTN-UHFFFAOYSA-N","375151",NA,"PDBC06768","654285","Present"
-"(R)-Methyl 2-oxooxazolidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","NSC676713","","COC(=O)C1COC(=O)N1","PZIWTVKXOORXAZ-GSVOUGTGSA-N","385465",NA,"PDBC06769","676713","Present"
-"(R)-alpha,5-Dime-XAA","","","","","","","","","","","","","","","","","","","","(R)-Alpha,5-diMe-XAA","","CC1=C2C(=CC=C1)C(=O)C3=C(O2)C(=CC=C3)C(C)C(=O)O.[Na+]","MHGQDJBMDWNPRP-HNCPQSOCSA-N","54608947",NA,"PDBC06770","677595","Present"
-"(R,R)-Diop","","","","","","","","","","","","","","","","","","","","(R,R)-Diop","","CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C","VCHDBLPQYJAQSQ-UHFFFAOYSA-N","122582",NA,"PDBC06771","699412","Present"
-"(S)-(+)-Massoialactone","","","","","","","","","","","","","","","","","","","","(R)- 5,6-Dihydro-6-pentyl-2H-pyran-2-one","","CCCCCC1CC=CC(=O)O1","NEDIAPMWNCQWNW-VIFPVBQESA-N","404821",NA,"PDBC06772","721360","Present"
-"(S)-1-(Sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide","","","","","","","","","","","","","","","","","","","","GSK-126///GSK126 HCl","","CCC(C)N1C=C(C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCNCC4)C(=O)NCC5=C(C=C(NC5=O)C)C)C","FKSFKBQGSFSOSM-QFIPXVFZSA-N","68210102",NA,"PDBC06773","780041///789702","Present"
-"(S)-10,11-Methelenedioxycamptothecin lactam","","","","","","","","","","","","","","","","","","","","(S)-10,11-Methelenedioxycamptothecin lactam","","CCC1(C2=C(CNC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)O","TUZDSEBWMNWAIZ-NRFANRHFSA-N","155805055",NA,"PDBC06774","690391","Present"
-"(S)-2-(2-Pyridinyl)-4-methyl-2-oxazoline","","","","","","","","","","","","","","","","","","","","(S)-2-(2-Pyridinyl)-4-methyl-2-oxazoline","","CC1COC(=N1)C2=CC=CC=N2","GNRGLELRZLUULL-ZETCQYMHSA-N","6711319",NA,"PDBC06775","618078","Present"
-"(S)-2-(4-Fluorophenylsulfonamido)-2-phenylacetic acid","","","","","","","","","","","","","","","","","","","","NSC626934","","C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F","RDYJUVZFLCNBPH-ZDUSSCGKSA-N","362695",NA,"PDBC06776","626934","Present"
-"(S)-2-(4-Methoxyphenylsulfonamido)-2-phenylacetic acid","","","","","","","","","","","","","","","","","","","","NSC626932","","COC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O","AFNBBRUKSKERPY-AWEZNQCLSA-N","362693",NA,"PDBC06777","626932","Present"
-"(S)-2-Amino-5-(((R)-3-(((4-bromophenyl)(hydroxy)carbamoyl)thio)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","","C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)Br","IQPLOQWSCZRUCA-UHFFFAOYSA-N","375165",NA,"PDBC06778","693568","Present"
-"(S)-2-Amino-N-(1-(8-((1-methyl-1H-pyrazol-4-yl)ethynyl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","NSC795067///NSC801002","","CC(C1=CC2=C(C(=CC=C2)C#CC3=CN(N=C3)C)C(=O)N1C4=CC=CC=C4)NC(=O)C5=C6N=CC=CN6N=C5N","XUMALORDVCFWKV-IBGZPJMESA-N","91933883",NA,"PDBC06779","795067///801002","Present"
-"(S)-2-Guanidinopropanoic acid","","","","","","","","","","","","","","","","","","","","(S)-2-Guanidinopropanoic acid","","CC(C(=O)O)N=C(N)N","DVNFLGLGNLXITH-UHFFFAOYSA-N","102685",NA,"PDBC06780","57810","Present"
-"(S)-2-[4-[2-(2,4-Diaminopyrido[2,3-d]pyrimidine-5-yl)ethyl]benzoylamino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","(S)-2-[4-[2-(2,4-Diaminopyrido[2,3-d]pyrimidine-5-yl)ethyl]benzoylamino]pentanedioic acid","","C1=CC(=CC=C1CCC2=C3C(=NC(=NC3=NC=C2)N)N)C(=O)NC(CCC(=O)O)C(=O)O","PJJAAFHOIZFSDR-AWEZNQCLSA-N","402874",NA,"PDBC06781","717164","Present"
-"(S)-4-Isopropyl-3-propionyloxazolidin-2-one","","","","","","","","","","","","","","","","","","","","BCP24707","","CCC(=O)N1C(COC1=O)C(C)C","HOWPHXVPNNPSAZ-UHFFFAOYSA-N","190974",NA,"PDBC06782","620040","Present"
-"(S)-5-Methyl-3-[8-hydroxy-13,16,19,22-tetraoxadotriacontane-1-yl]furan-2(5H)-one","","","","","","","","","","","","","","","","","","","","(2S)-4-[12-[2-[2-(2-Decoxyethoxy)ethoxy]ethoxy]-8-hydroxydodecyl]-2-methyl-2H-furan-5-one","","CCCCCCCCCCOCCOCCOCCOCCCCC(CCCCCCCC1=CC(OC1=O)C)O","WDAUGOLLDKOZFO-TZYYSAMKSA-N","390525",NA,"PDBC06783","687966","Present"
-"(S)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","(6S)-6-(3-Methoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","COC1=CC=CC(=C1)C2CC(=O)C3=CC4=C(C=C3N2)OCO4","IIXRKOHTDRHQQN-ZDUSSCGKSA-N","395557",NA,"PDBC06784","700263","Present"
-"(S)-7-Acetoxy-6,7-dihydro-10-methylthio-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-one","","","","","","","","","","","","","","","","","","","","[(7S)-1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] acetate","","CC(=O)OC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","LLSIBTDXBWUAIU-KRWDZBQOSA-N","391586",NA,"PDBC06785","691041","Present"
-"(S)-9-Acetylaminocamptothecin lactam","","","","","","","","","","","","","","","","","","","","(S)-9-Acetylaminocamptothecin lactam","","CCC1(C2=C(CNC1=O)C(=O)N3CC4=CC5=C(C=CC=C5NC(=O)C)N=C4C3=C2)O","IFWZSLMVWBEJQU-QFIPXVFZSA-N","155806809",NA,"PDBC06786","690390","Present"
-"(S)-Boldine","","","","","","","","","","","","","","","","","","","","boldin","","CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O","LZJRNLRASBVRRX-UHFFFAOYSA-N","248507",NA,"PDBC06787","65689","Present"
-"(S)-Buchnerine","","","","","","","","","","","","","","","","","","","","NSC656710","","COC1=CC=C(C=C1)C2CC(=O)NCCCNCCCCNCCCN2","YMAWLWVKJGYXTR-IBGZPJMESA-N","376176",NA,"PDBC06788","656710","Present"
-"(S)-Ceralasertib","","","","","","","","","","","","","","","","","","","","AZD-6738 ( R,S-isomer)","","CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4","OHUHVTCQTUDPIJ-MUWSIPGASA-N","54761305",NA,"PDBC06789","780250","Present"
-"(S)-Diethoxyphosphoryl(thiophen-3-yl)methanol","","","","","","","","","","","","","","","","","","","","(S)-Diethoxyphosphoryl(thiophen-3-yl)methanol","","CCOP(=O)(C(C1=CSC=C1)O)OCC","NYCBNAJPFRZYBL-VIFPVBQESA-N","396290",NA,"PDBC06790","701988","Present"
-"(S)-Dimethoxyphosphoryl-[(1S,2S)-2-phenylcyclopropyl]methanol","","","","","","","","","","","","","","","","","","","","(S)-Dimethoxyphosphoryl-[(1S,2S)-2-phenylcyclopropyl]methanol","","COP(=O)(C(C1CC1C2=CC=CC=C2)O)OC","CBWPDBHFIMPYON-WOPDTQHZSA-N","397385",NA,"PDBC06791","705129","Present"
-"(S)-N-(5,7,9-Tetrahydro-1,2,3-trimethoxy-1-(methylthio)-9-oxobenzo[A]heptalen-7-YL)beutanamide","","","","","","","","","","","","","","","","","","","","Butanamide, N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(m...","","CCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","ZEBQELDBCIBMMZ-KRWDZBQOSA-N","337948",NA,"PDBC06792","358257","Present"
-"(S)-N-Benzylidene-1-methoxy-3-phenylpropan-2-amine","","","","","","","","","","","","","","","","","","","","NSC671854","","COCC(CC1=CC=CC=C1)N=CC2=CC=CC=C2","SUBNLDMYESIJHW-KRWDZBQOSA-N","383468",NA,"PDBC06793","671854","Present"
-"(S)-Naproxen-propargylester","","","","","","","","","","","","","","","","","","","","(S)-Naproxen-propargylester","","CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC#C","RPLLXWJHCSDOLS-LBPRGKRZSA-N","390923",NA,"PDBC06794","689144","Present"
-"(S)-Spinacine","","","","","","","","","","","","","","","","","","","","(S)-Spinacine","","C1C(NCC2=C1N=CN2)C(=O)O","YCFJXOFFQLPCHD-UHFFFAOYSA-N","363935",NA,"PDBC06795","629424","Present"
-"(S)-alpha,5-Dime-XAA","","","","","","","","","","","","","","","","","","","","(S)-Alpha,5-diMe-XAA","","CC1=C2C(=CC=C1)C(=O)C3=C(O2)C(=CC=C3)C(C)C(=O)O.[Na+]","MHGQDJBMDWNPRP-PPHPATTJSA-N","54602007",NA,"PDBC06796","677594","Present"
-"(S)9-Amino-20-O-(N,N-dimethyl)glycinyl camptothecin.HCl","","","","","","","","","","","","","","","","","","","","(S)9-Amino-20-O-(N,N-dimethyl)glycinyl camptothecin.HCl","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)OC(=O)CN(C)C.Cl","VCFQXXKUPMCLFP-JIDHJSLPSA-N","11969927",NA,"PDBC06797","639176","Present"
-"(S,5-Dimethoxy N-(alpha-Phenethyl)phenyl isopropylamine","","","","","","","","","","","","","","","","","","","","NSC658455","","CC(CC1=CC(=CC(=C1)OC)OC)NC(C)C2=CC=CC=C2","SYEUWNAKPZKYGI-LOACHALJSA-N","5467734",NA,"PDBC06798","658455","Present"
-"(S,5-Dimethoxy N-(alpha-Phenethyl)phenyl isopropylamine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC658456","","CC(CC1=CC(=CC(=C1)OC)OC)NC(C)C2=CC=CC=C2.Cl","AGJQADPUBXYJQQ-SCYKNNLXSA-N","5467735",NA,"PDBC06799","658456","Present"
-"(S,S)-(+)-Bis(2-chloropropyl)sulfide","","","","","","","","","","","","","","","","","","","","(S,S)-(+)-Bis(2-chloropropyl)sulfide","","CC(CSCC(C)Cl)Cl","AQHTWLYIOSPNMG-WDSKDSINSA-N","400538",NA,"PDBC06800","712583","Present"
-"(S-Trityl)-L-cysteinyl-glycine","","","","","","","","","","","","","","","","","","","","(s-trityl)-l-cysteinyl-glycine","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)NCC(=O)O)N","CQWAYRTZXZSUEP-UHFFFAOYSA-N","98425",NA,"PDBC06801","127736","Present"
-"(Thiopen-2-ylmethylene-hydrazinocarbonylmethylsulfanyl) ...","","","","","","","","","","","","","","","","","","","","(Thiopen-2-ylmethylene-hydrazinocarbonylmethylsulfanyl) ...","","C1=CSC(=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=CS2","XOBJPWYUGZDVNV-BGPOSVGRSA-N","9572694",NA,"PDBC06802","724346","Present"
-"(Triphenylphosphoranylidene)ketene","","","","","","","","","","","","","","","","","","","","Bestmann Ylide","","C1=CC=C(C=C1)P(=C=C=O)(C2=CC=CC=C2)C3=CC=CC=C3","MNASRBWCHRURHY-UHFFFAOYSA-N","359581",NA,"PDBC06803","620573","Present"
-"(Z) 2',3,4,5-Tetramethoxystilbene","","","","","","","","","","","","","","","","","","","","(Z) 2',3,4,5-Tetramethoxystilbene","","COC1=CC=CC=C1C=CC2=CC(=C(C(=C2)OC)OC)OC","OTYSBQKXEWBXFR-KTKRTIGZSA-N","5388740",NA,"PDBC06804","638390","Present"
-"(Z) 3,3',4,5-Tetramethoxystilbene","","","","","","","","","","","","","","","","","","","","(Z) 3,3',4,5-Tetramethoxystilbene","","COC1=CC=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","HDVYOENGFYGXCE-HJWRWDBZSA-N","5388774",NA,"PDBC06805","638492","Present"
-"(Z) 3,4,4',5-Tetramethoxystilbene","","","","","","","","","","","","","","","","","","","","(Z) 3,4,4',5-Tetramethoxystilbene","","COC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","GGFQQRXTLIJXNY-WAYWQWQTSA-N","5388779",NA,"PDBC06806","638499","Present"
-"(Z)-(2-(Hydroxymethyl)-4-(3-isobutyl-5-methylhexylidene)-5-oxo-tetrahydrofuran-2-yl)methyl pivalate","","","","","","","","","","","","","","","","","","","","NSC714071///(+-)-2,2-Dimethylpropionic acid (Z)-{2-(hydroxymethyl)-4...","","CC(C)CC(CC=C1CC(OC1=O)(CO)COC(=O)C(C)(C)C)CC(C)C","XKEOGEXDEKIDNA-NVMNQCDNSA-N","5471818",NA,"PDBC06807","714071///722219","Present"
-"(Z)-(2-Pyridyl)phenyl ketone (5-nitro-2-pyridyl)hydrazone","","","","","","","","","","","","","","","","","","","","5-Nitro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine","","C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3","VBORWHKZBJTTEU-HEHNFIMWSA-N","6519692",NA,"PDBC06808","693620","Present"
-"(Z)-(3-Benzylanilino)((3-benzylphenyl)imino)methanesulfonic acid","","","","","","","","","","","","","","","","","","","","(Z)-(3-Benzylanilino)((3-benzylphenyl)imino)methanesulfonic acid","","C1=CC=C(C=C1)CC2=CC(=CC=C2)NC(=NC3=CC=CC(=C3)CC4=CC=CC=C4)S(=O)(=O)O","DVFLSZFAZYLCFW-UHFFFAOYSA-N","388370",NA,"PDBC06809","683264","Present"
-"(Z)-1,1,1-Trichloro-4-(2-hydroxyanilino)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(Z)-1,1,1-Trichloro-4-(2-hydroxyanilino)but-3-en-2-one","","C1=CC=C(C(=C1)NC=CC(=O)C(Cl)(Cl)Cl)O","CDYPCWQTHVEJGN-WAYWQWQTSA-N","5471821",NA,"PDBC06810","714076","Present"
-"(Z)-1,1,1-Trichloro-4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(Z)-1,1,1-Trichloro-4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]but-3-en-2-one","","CS(=NC=CC(=O)C(Cl)(Cl)Cl)(=O)C","NJCWKIZOJVIUIG-ARJAWSKDSA-N","5472005",NA,"PDBC06811","715844","Present"
-"(Z)-1,1,1-Trifluoro-4-(2-hydroxyanilino)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(Z)-1,1,1-Trifluoro-4-(2-hydroxyanilino)but-3-en-2-one","","C1=CC=C(C(=C1)NC=CC(=O)C(F)(F)F)O","AGSOVNGSHJTQPN-WAYWQWQTSA-N","5472003",NA,"PDBC06812","715842","Present"
-"(Z)-1,1,2,4,4-Pentachloro-1,4-dinitro-but-2-ene","","","","","","","","","","","","","","","","","","","","2-butene, 1,1,2,4,4-pentachloro-1,4-dinitro-","","C(=C(C([N+](=O)[O-])(Cl)Cl)Cl)C([N+](=O)[O-])(Cl)Cl","LETWWAASNMTWLI-UPHRSURJSA-N","5755978",NA,"PDBC06813","665079","Present"
-"(Z)-1,2-Bis(3,4-dimethoxyphenyl)-3-imidazol-1-yl-prop-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(Z)-1,2-Bis(3,4-dimethoxyphenyl)-3-imidazol-1-yl-prop-2-en-1-ol","","COC1=C(C=C(C=C1)C(C(=CN2C=CN=C2)C3=CC(=C(C=C3)OC)OC)O)OC","COBCHCDRJKNNAR-LGMDPLHJSA-N","3004381",NA,"PDBC06814","649317","Present"
-"(Z)-1,2-Diphenylethenesulfonic acid;4-methylaniline","","","","","","","","","","","","","","","","","","","","NSC109926","","CC1=CC=C(C=C1)N.C1=CC=C(C=C1)C=C(C2=CC=CC=C2)S(=O)(=O)O","HVOIJEDWGMIDLA-IRIIKGHASA-N","5351957",NA,"PDBC06815","109926","Present"
-"(Z)-1,3-Diphenyl-3-triphenylplumbyloxy-prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-1,3-Diphenyl-3-triphenylplumbyloxy-prop-2-en-1-one","","","","",NA,"PDBC06816","644908","Present"
-"(Z)-1,6,7-Tribromo-3-(bromomethyl)-7-methyloct-2-ene;(E)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene","","","","","","","","","","","","","","","","","","","","(Z)-1,6,7-Tribromo-3-(bromomethyl)-7-methyloct-2-ene;(E)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene","","CC(C)(C(CCC(=CCBr)CBr)Br)Br.CC(C)(C(CCC(=CCBr)CBr)Br)Br","YGZHIWZFFTYLOA-OJEMXQENSA-N","5467633",NA,"PDBC06817","657137","Present"
-"(Z)-1-(1,5-Diphenylpyrazol-3-yl)-3-hydroxy-3-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(1,5-Diphenylpyrazol-3-yl)-3-hydroxy-3-phenylprop-2-en-1-one","","C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)C=C(C4=CC=CC=C4)O","PRUITDLCXVDDQS-QJOMJCCJSA-N","5472604",NA,"PDBC06818","720421","Present"
-"(Z)-1-(1H-Indol-3-yl)-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(1H-indol-3-yl)-3-(2-methoxy-5-(3,4,5-trimethoxyst...","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC=CC(=O)C3=CNC4=CC=CC=C43","WLZCGHMCKNWJMJ-KWUOUXIESA-N","92131109",NA,"PDBC06819","777174","Present"
-"(Z)-1-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(2-hydroxybenzylidene)-2-phenyl-1H-imidazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(2-hydroxyb...","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3O)C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)Cl","MVMVBCZWVZVEKB-PDGQHHTCSA-N","45028018",NA,"PDBC06820","740618","Present"
-"(Z)-1-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(3,4-dimethoxybenzylidene)-2-phenyl-1H-imidazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(3,4-dimeth...","","COC1=C(C=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl)OC","KGRIUPJPWNBBPQ-UNOMPAQXSA-N","45028021",NA,"PDBC06821","740621","Present"
-"(Z)-1-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(4-(dimethylamino)benzylidene)-2-phenyl-1H-imidazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(4-(dimethy...","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl","HFKAOQQFBIPNKT-STZFKDTASA-N","45028023",NA,"PDBC06822","740623","Present"
-"(Z)-1-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(4-chlorobenzylidene)-2-phenyl-1H-imidazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(4-chlorobe...","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)Cl","HMLHCVDONBCLSZ-UNOMPAQXSA-N","45028022",NA,"PDBC06823","740622","Present"
-"(Z)-1-(2-Hydroxyphenyl)ethanone O-acetyl oxime","","","","","","","","","","","","","","","","","","","","AS-62810","","CC(=NOC(=O)C)C1=CC=CC=C1O","IDGZAIMNRXPJNW-XFFZJAGNSA-N","135510099",NA,"PDBC06824","631971","Present"
-"(Z)-1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-phenylprop-2-en-1-one","","C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CC=CC=C3","LDIIACNKONNAKC-KHPPLWFESA-N","1712141",NA,"PDBC06825","87837","Present"
-"(Z)-1-(4-Bromophenyl)-3-(4-chloroanilino)-2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]-3-oxoprop-1-en-1-olate","","","","","","","","","","","","","","","","","","","","(Z)-1-(4-Bromophenyl)-3-(4-chloroanilino)-2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]-3-oxoprop-1-en-1-olate","","C1=CC(=N[N+](=C1)C(=C(C2=CC=C(C=C2)Br)[O-])C(=O)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","XDULJQZOZIVQAJ-UHFFFAOYSA-N","54714473",NA,"PDBC06826","702416","Present"
-"(Z)-1-(4-Chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(4-chlorophenyl)-2-((4-fluorobenzyl)thio)-3- (4-ni...","","C1=CC(=CC=C1CSC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl)F","HEVMZSUFSUNQIZ-BKUYFWCQSA-N","155810296",NA,"PDBC06827","791686","Present"
-"(Z)-1-(4-Fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-1-(4-fluorophenyl)-2-((4-methylbenzyl)thio)-3- (4-ni...","","CC1=CC=C(C=C1)CSC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F","KRNVGLUECKWEEE-HMAPJEAMSA-N","155811884",NA,"PDBC06828","791682","Present"
-"(Z)-1-(4-Fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol","","","","","","","","","","","","","","","","","","","","(Z)-1-(4-Fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol","","C1=CC(=CC=C1C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C(C4=CC=C(C=C4)F)O)O)F","ZKGPMPRNJRVJRH-KBZHBASMSA-N","135426687",NA,"PDBC06829","707072","Present"
-"(Z)-1-(4-Fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol","","","","","","","","","","","","","","","","","","","","(Z)-1-(4-Fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol","","C1=CC=C2C(=C1)N=C(C(=N2)C=C(C3=CC=C(C=C3)F)O)C=C(C4=CC=C(C=C4)F)O","WJGLKSWIHJGBGP-GACBQCINSA-N","135426686",NA,"PDBC06830","707071","Present"
-"(Z)-1-Benzylsulfanyl-1-[[(Z)-C-benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]methanimine","","","","","","","","","","","","","","","","","","","","(Z)-1-Benzylsulfanyl-1-[[(Z)-C-benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]methanimine","","","","",NA,"PDBC06831","630459","Present"
-"(Z)-1-Iodo-2-phenyl-1-penten-3-one","","","","","","","","","","","","","","","","","","","","(Z)-1-iodo-2-phenyl-1-penten-3-one","","CCC(=O)C(=CI)C1=CC=CC=C1","FWKMZCXFDQPRAC-NTMALXAHSA-N","5468684",NA,"PDBC06832","674455","Present"
-"(Z)-2-(1,3-Benzodioxol-5-yl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-2-(1,3-Benzodioxol-5-yl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide","","CC(C)(C)NC(=O)C(=CSC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3","RITVHMFIZGMKDO-VBKFSLOCSA-N","5470810",NA,"PDBC06833","705329","Present"
-"(Z)-2-(1,3-Benzoxazol-2-yl)-4-chloro-3-hydroxybut-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-2-(1,3-Benzoxazol-2-yl)-4-chloro-3-hydroxybut-2-enenitrile","","C1=CC=C2C(=C1)N=C(O2)C(=C(CCl)O)C#N","QZLSLUQVAGYYGF-CLFYSBASSA-N","135426811",NA,"PDBC06834","719378","Present"
-"(Z)-2-(3,4-Dimethoxycyclohexa-1,3-dien-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-2-(3,4-Dimethoxycyclohexa-1,3-dien-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile","","COC1=C(C=C(CC1)C(=CC2=CC(=C(C=C2)OC)OC)C#N)OC","NNPUWTJYWYPOLD-OQLLNIDSSA-N","5388792",NA,"PDBC06835","638620","Present"
-"(Z)-2-(4-Bromophenyl)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-2-(4-Bromophenyl)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enenitrile","","CN(CCC#N)C1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)Br","UXQKDCXLIGYTNZ-GHRIWEEISA-N","5908264",NA,"PDBC06836","202062","Present"
-"(Z)-2-Amino-2-(1-hydroxy-5,5-dimethoxy-2,2-dimethyl-imidazol-4-yl)ethenol","","","","","","","","","","","","","","","","","","","","(Z)-2-Amino-2-(1-hydroxy-5,5-dimethoxy-2,2-dimethyl-imidazol-4-yl)ethenol","","CC1(NC(=C(C=O)N)C(N1O)(OC)OC)C","LUMKIYSEGJSRRH-VOTSOKGWSA-N","5494357",NA,"PDBC06837","686486","Present"
-"(Z)-2-Amino-3-[[7-[[(Z)-2-amino-1,2-dicyanoethenyl]iminomethyl]-3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7-tetrahydroacridin-2-yl]methylideneamino]but-2-enedinitrile","","","","","","","","","","","","","","","","","","","","(Z)-2-Amino-3-[[7-[[(Z)-2-amino-1,2-dicyanoethenyl]iminomethyl]-3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7-tetrahydroacridin-2-yl]methylideneamino]but-2-enedinitrile","","CC1(CC2=C(C=C3C(=N2)CC(C(C3=O)C=NC(=C(C#N)N)C#N)(C)C)C(=O)C1C=NC(=C(C#N)N)C#N)C","OTWVFAISVKNJJE-CEDUTOFESA-N","5470527",NA,"PDBC06838","702649","Present"
-"(Z)-2-Azido-3-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-N-(2-phenoxyacetyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-2-Azido-3-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-N-(2-phenoxyacetyl)prop-2-enamide","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)NC(=O)COC2=CC=CC=C2)N=[N+]=[N-]","ZUYNSTRPJWALNQ-JWGURIENSA-N","5845130",NA,"PDBC06839","643597","Present"
-"(Z)-2-Benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-2-Benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enenitrile","","C1CN(C(=S)N1C=C(C#N)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CO3","OEMRYFFWEDEBOW-OWBHPGMISA-N","24203789",NA,"PDBC06840","729521","Present"
-"(Z)-2-Benzyl-3-phenylpropenoic acid","","","","","","","","","","","","","","","","","","","","NSC26079","","C1=CC=C(C=C1)CC(=CC2=CC=CC=C2)C(=O)O","KNEFRHCUYCDKRK-PTNGSMBKSA-N","5355110",NA,"PDBC06841","26079","Present"
-"(Z)-2-Benzylsulfanyl-1-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z,E)-2-(benzylthio)-1-(4-chlorophenyl)-3- (4-nitropheny...","","C1=CC=C(C=C1)CSC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl","DZMYQQOTLULVCX-STZFKDTASA-N","155817166",NA,"PDBC06842","791685","Present"
-"(Z)-2-Benzylsulfinyl-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-2-(benzylsulfinyl)-3-(4-nitrophenyl)-1-(p-tolyl)prop...","","CC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)CC3=CC=CC=C3","NVBCOFOMLSYGBV-JCMHNJIXSA-N","155813733",NA,"PDBC06843","791684","Present"
-"(Z)-2-Bromo-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(Z)-2-Bromo-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-ol","","CC(C)(C)OCC=C(CO)Br","ZYXJLOFSEZTMIS-DAXSKMNVSA-N","5470161",NA,"PDBC06844","698208","Present"
-"(Z)-2-Chloro-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]-3-phenyl-prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-2-Chloro-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]-3-phenyl-prop-2-en-1-one","","CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)C(=CC5=CC=CC=C5)Cl","NFQJXJCBMWOQDW-QNGOZBTKSA-N","5388493",NA,"PDBC06845","636506","Present"
-"(Z)-2-Cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-2-Cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide","","C1CN(C(=S)N1C=C(C#N)C(=O)N)C(=O)C2=CC=CO2","RBYJODBJASYLSV-FPLPWBNLSA-N","24203793",NA,"PDBC06846","729525","Present"
-"(Z)-2-Cyano-3-phenylsulfanylprop-2-enoic acid","","","","","","","","","","","","","","","","","","","","NSC617605","","C1=CC=C(C=C1)SC=C(C#N)C(=O)O","YVQBZIVOOVECGT-FPLPWBNLSA-N","5386767",NA,"PDBC06847","617605","Present"
-"(Z)-2-Fluorooctadec-9-enoic acid","","","","","","","","","","","","","","","","","","","","NSC684582","","CCCCCCCCC=CCCCCCCC(C(=O)O)F","SRASYCWJVNDWSC-KTKRTIGZSA-N","5469234",NA,"PDBC06848","684582","Present"
-"(Z)-2-Methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-2-Methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid","","CC1=C(C(=O)NC(=O)N1)C=C(C)C(=O)O","DSNYZSCAYNDLKB-ARJAWSKDSA-N","5383681",NA,"PDBC06849","181491","Present"
-"(Z)-2-[(4-Chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z,E)-2-((4-chlorobenzyl)thio)-1-(4-fluorophenyl)-3- (4-...","","C1=CC(=CC=C1CSC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F)Cl","UFZCYLWLYWLGSX-BKUYFWCQSA-N","155810169",NA,"PDBC06850","791687","Present"
-"(Z)-2-[(4-Chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-2-((4-chlorobenzyl)thio)-3-(4-nitrophenyl)- 1-(p-tol...","","CC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)Cl","USQHBPQIPLWXOH-HMAPJEAMSA-N","155812611",NA,"PDBC06851","798978","Present"
-"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C#N","YOXQKKXNIRDKNX-QPEQYQDCSA-N","54611463",NA,"PDBC06852","704322","Present"
-"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(4-oxo-2,3-dihydrochromen-3-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(4-oxo-2,3-dihydrochromen-3-yl)prop-2-enenitrile","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3COC4=CC=CC=C4C3=O)C#N","JEFPBRNTBPFIGS-JYRVWZFOSA-N","5471681",NA,"PDBC06853","713039","Present"
-"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enenitrile","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=C(S3)[N+](=O)[O-])C#N","RWVZBXAFTQJQIA-POHAHGRESA-N","54611464",NA,"PDBC06854","704317","Present"
-"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-3-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-3-yl)prop-2-enenitrile","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CSC(=C3)[N+](=O)[O-])C#N","DRJKFXXKGQFBBV-WCIBSUBMSA-N","5471684",NA,"PDBC06855","713053","Present"
-"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C#N","QBNOYWRFYWQWHX-GDNBJRDFSA-N","54611462",NA,"PDBC06856","704318","Present"
-"(Z)-2-[[[1-(4-Chlorophenyl)-2,3-dihydro-2-[1,2-bis(methoxycarbonyl)ethenyl]-2-methyl-4-cyano-5-amino-1H-pyrrol]-3-ylidene]methyl]-2-butenedioic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl (Z)-2-[(Z)-[5-amino-1-(4-chlorophenyl)-4-cyano-2-[(E)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]-2-methylpyrrol-3-ylidene]methyl]but-2-enedioate","","CC1(C(=CC(=CC(=O)OC)C(=O)OC)C(=C(N1C2=CC=C(C=C2)Cl)N)C#N)C(=CC(=O)OC)C(=O)OC","LBTCIJAMDZQOQH-NOXSAHPSSA-N","5468307",NA,"PDBC06857","668349","Present"
-"(Z)-3,3',4,4',5-Pentamethoxystilbene","","","","","","","","","","","","","","","","","","","","B817373K389 from Combetum caffrum","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC","KMCRDRIVRPRGHU-SREVYHEPSA-N","5386627",NA,"PDBC06858","615258","Present"
-"(Z)-3,4,5-Trimethoxy-4'-ethylstilbene","","","","","","","","","","","","","","","","","","","","(Z)-3,4,5-Trimethoxy-4'-ethylstilbene","","CCC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","ATPLLJHVRJWGIN-KHPPLWFESA-N","5466706",NA,"PDBC06859","641484","Present"
-"(Z)-3-(2-Methoxyphenyl)-1-(1,3-oxazolidin-4-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-3-(2-Methoxyphenyl)-1-(1,3-oxazolidin-4-yl)prop-2-en-1-one","","COC1=CC=CC=C1C=CC(=O)C2COCN2","BAVZROYHOCSCFZ-SREVYHEPSA-N","54606380",NA,"PDBC06860","139727","Present"
-"(Z)-3-(2-Methoxyphenyl)-1-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-3-(2-Methoxyphenyl)-1-phenylprop-2-en-1-one","","COC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2","ZWTRSTWJBWJEFR-QXMHVHEDSA-N","25021886",NA,"PDBC06861","11865","Present"
-"(Z)-3-(2-Methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-3-(2-Methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile","","COC1=CC=C(C=C1)C(=CC2=CC=CC=C2OC)C#N","BFRIYUWXCFCEOD-RVDMUPIBSA-N","5793739",NA,"PDBC06862","130862","Present"
-"(Z)-3-(3,4-Dichlorophenyl)-1-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-3-(3,4-Dichlorophenyl)-1-phenylprop-2-en-1-one","","C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl","QWYKPZUFPSREFT-CLFYSBASSA-N","54602235",NA,"PDBC06863","110939","Present"
-"(Z)-3-(3,5-Difluorophenyl)-2-(2-pyridyl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-3-(3,5-Difluorophenyl)-2-(2-pyridyl)prop-2-enenitrile","","C1=CC=NC(=C1)C(=CC2=CC(=CC(=C2)F)F)C#N","USVLQUDAUIUTEV-VZUCSPMQSA-N","5467798",NA,"PDBC06864","659322","Present"
-"(Z)-3-(3-Methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-3-(3-Methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid","","COC1=C(C=CC(=C1)C=CC(=O)O)OCC2=CC=CC=C2","WSOBQOYHYGVEIR-NTMALXAHSA-N","5354670",NA,"PDBC06865","16729","Present"
-"(Z)-3-(3-Methoxyphenyl)-1-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 3-(3-methoxyphenyl)-1-phenyl- (9CI)","","COC1=CC=CC(=C1)C=CC(=O)C2=CC=CC=C2","IWFHVAAFIDSBRL-KHPPLWFESA-N","21790694",NA,"PDBC06866","27999","Present"
-"(Z)-3-(Benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-3-(Benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide","","CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C=CS(=O)C3=CC=CC=C3","ONNGZSNFZVBIIU-QXMHVHEDSA-N","5470811",NA,"PDBC06867","705330","Present"
-"(Z)-3-(Benzenesulfinyl)-N-tert-butyl-N-(furan-3-ylmethyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-3-(Benzenesulfinyl)-N-tert-butyl-N-(furan-3-ylmethyl)prop-2-enamide","","CC(C)(C)N(CC1=COC=C1)C(=O)C=CS(=O)C2=CC=CC=C2","MKDWGGNLDHEQMB-BENRWUELSA-N","5470818",NA,"PDBC06868","705337","Present"
-"(Z)-3-(Benzylcarbamothioylamino)-2-cyanoprop-2-enamide","","","","","","","","","","","","","","","","","","","","NSC658506","","C1=CC=C(C=C1)CNC(=S)NC=C(C#N)C(=O)N","YLJKNBABBHWKLL-NTMALXAHSA-N","54612522",NA,"PDBC06869","658506","Present"
-"(Z)-3-(Carbamothioylamino)-2-cyanoprop-2-enamide","","","","","","","","","","","","","","","","","","","","NSC658309","","C(=C(C#N)C(=O)N)NC(=S)N","NXHLKIPKPWUSOM-IHWYPQMZSA-N","5467720",NA,"PDBC06870","658309","Present"
-"(Z)-3-Bromo-3-iodo-1,2-diphenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(Z)-3-Bromo-3-iodo-1,2-diphenyl-2-propen-1-one","","C1=CC=C(C=C1)C(=C(Br)I)C(=O)C2=CC=CC=C2","YRZKZKWBMCUQDP-SQFISAMPSA-N","5468218",NA,"PDBC06871","666301","Present"
-"(Z)-3-Bromo-3-iodo-2-phenylprop-2-enal","","","","","","","","","","","","","","","","","","","","(Z)-3-bromo-3-iodo-2-phenylpropenal","","C1=CC=C(C=C1)C(=C(Br)I)C=O","ZKOMDKWMXRQBGK-CMDGGOBGSA-N","5467655",NA,"PDBC06872","657560","Present"
-"(Z)-3-Chloro-4-(3'-chloro-4'-methoxyphenyl)-5-(3","","","","","","","","","","","","","","","","","","","","(Z)-3-chloro-4-(3'-chloro-4'-methoxyphenyl)-5-(3","","COC1=C(C=C(C=C1)C2=C(C(=O)OC2=CC3=CC(=C(C=C3)OC)Br)Cl)Cl","SHGQHQBIYQWCBS-PXNMLYILSA-N","5472910",NA,"PDBC06873","722462","Present"
-"(Z)-3-Cyano-2-hydroxy-3-(4-naphthalen-1-ylphenyl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-3-Cyano-2-hydroxy-3-(4-naphthalen-1-ylphenyl)prop-2-enoic acid","","C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)C(=C(C(=O)O)O)C#N","ZYQBEJQFCQZLMX-VHEBQXMUSA-N","3246307",NA,"PDBC06874","85372","Present"
-"(Z)-3-Ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-3-Ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide","","CCOC(=C(C(=N)N1CCOCC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O","DQAYNLGYDSRZBD-QJMCSQRZSA-N","135426613",NA,"PDBC06875","703904","Present"
-"(Z)-3-Ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)-N-propan-2-ylprop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-3-Ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)-N-propan-2-ylprop-2-enamide","","CCOC(=C(C(=N)N1CCOCC1)C(=O)NC(C)C)O","GDMPMVGFXJXEGM-IXIOTXNQSA-N","135426614",NA,"PDBC06876","703905","Present"
-"(Z)-3-Ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-3-Ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide","","CCOC(=C(C(=N)N1CCCC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O","OMBFGSUEFLHCOZ-QJMCSQRZSA-N","135426609",NA,"PDBC06877","703900","Present"
-"(Z)-3-Ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-3-Ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide","","CCOC(=C(C(=N)N1CCOCC1)C(=O)NC2=CC=C(C=C2)F)O","QFVXJOUDDOIKGB-BURJPGGPSA-N","135426611",NA,"PDBC06878","703902","Present"
-"(Z)-3-Ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-3-Ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide","","CCOC(=C(C(=N)N1CCCC1)C(=O)NC2=CC=C(C=C2)F)O","DEZPICVCNXNYIC-BURJPGGPSA-N","135426608",NA,"PDBC06879","703899","Present"
-"(Z)-3-Iodo-1,2-diphenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(Z)-3-iodo-1,2-diphenyl-2-propen-1-one","","C1=CC=C(C=C1)C(=CI)C(=O)C2=CC=CC=C2","HZYVHOBRARIHQT-KAMYIIQDSA-N","5468683",NA,"PDBC06880","674454","Present"
-"(Z)-3-Iodo-6-(phenylmethoxymethoxy)hex-2-en-1-ol","","","","","","","","","","","","","","","","","","","","(Z)-3-Iodo-6-(phenylmethoxymethoxy)hex-2-en-1-ol","","C1=CC=C(C=C1)COCOCCCC(=CCO)I","RRUFOHOOQJVMJO-ZSOIEALJSA-N","5387054",NA,"PDBC06881","619990","Present"
-"(Z)-3-Tricyclo[4.4.0.02,7]decanylideneurea","","","","","","","","","","","","","","","","","","","","NSC624377","","C1CC2C3CCC(=NC(=O)N)C2C3C1","GVRCKZPGAMWKPM-LCYFTJDESA-N","5913362",NA,"PDBC06882","624377","Present"
-"(Z)-3-[(2R,3S,4S,5S)-3,4-Dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal","","","","","","","","","","","","","","","","","","","","(Z)-3-[(2R,3S,4S,5S)-3,4-Dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal","","CC1C(C(C(O1)(C)C=C(C)C=O)O)(C)O","YDZGIHHZMNNFMM-URCWOFHRSA-N","5471937",NA,"PDBC06883","715496","Present"
-"(Z)-3-[(3,4-Dimethyl-1,2-oxazol-5-yl)amino]-N-phenylbut-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-3-[(3,4-Dimethyl-1,2-oxazol-5-yl)amino]-N-phenylbut-2-enamide","","CC1=C(ON=C1C)NC(=CC(=O)NC2=CC=CC=C2)C","JFMUSURVUMQECV-KTKRTIGZSA-N","5386681",NA,"PDBC06884","615611","Present"
-"(Z)-3-[(9R)-3,5,5,9-Tetramethyl-2-oxatricyclo[4.3.0.01,3]nonan-4-yl]prop-2-enal","","","","","","","","","","","","","","","","","","","","(Z)-3-[(9R)-3,5,5,9-Tetramethyl-2-oxatricyclo[4.3.0.01,3]nonan-4-yl]prop-2-enal","","CC1CCC2C13C(O3)(C(C2(C)C)C=CC=O)C","FOKJNGKJKPHZPJ-QYMTWWATSA-N","5470376",NA,"PDBC06885","700511","Present"
-"(Z)-3-[2,3-Dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","Z)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylamin...","","COC1=CC(=CC(=C1OC)NC=CC(=O)C2=CNC3=CC=CC=C32)C=CC4=CC(=C(C(=C4)OC)OC)OC","HQCVZJHJEMWQSA-FQEMRORKSA-N","118500926",NA,"PDBC06886","777183","Present"
-"(Z)-3-[2,3-Dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylami...","","COC1=CC(=CC(=C1OC)NC=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC","QWBGUVNTTVHMIG-BASFJDSNSA-N","118495350",NA,"PDBC06887","777180","Present"
-"(Z)-3-[2,3-Dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylami...","","COC1=CC(=CC(=C1OC)NC=CC(=O)C2=CC=C(C=C2)OC(F)(F)F)C=CC3=CC(=C(C(=C3)OC)OC)OC","KIJWMKUMQQQTHR-ASZCUJMBSA-N","118495414",NA,"PDBC06888","773189","Present"
-"(Z)-3-[2-Oxo-2-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethylamino]ethyl]hex-4-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-3-[2-Oxo-2-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethylamino]ethyl]hex-4-enoic acid","","CC=CC(CC(=O)NCCC1CN(C2=CC=CC=C12)S(=O)(=O)C(F)(F)F)CC(=O)O","YPSYYNPWNICDRZ-DJWKRKHSSA-N","5470064",NA,"PDBC06889","697240","Present"
-"(Z)-3-[4-[2-Cyanoethyl(methyl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-3-[4-[2-Cyanoethyl(methyl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile","","CN(CCC#N)C1=CC=C(C=C1)C=C(C#N)C2=CC(=CC=C2)C(F)(F)F","WERHYBQYOCWWJJ-SFQUDFHCSA-N","5919582",NA,"PDBC06890","338519","Present"
-"(Z)-3-[4-[Bis(2-cyanoethyl)amino]-2-methyl-phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl azide","","","","","","","","","","","","","","","","","","","","(Z)-3-[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl azide","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)N=[N+]=[N-])NC(=O)C=CC2=CC=CC=C2","RSYFJEWJQQXHQH-MUXFZUAMSA-N","6477346",NA,"PDBC06891","645676","Present"
-"(Z)-3-[Diiodo-[(Z)-3-oxo-1,3-diphenyl-prop-1-enoxy]stannyl]oxy-1,3-diphenyl-prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-3-[Diiodo-[(Z)-3-oxo-1,3-diphenyl-prop-1-enoxy]stannyl]oxy-1,3-diphenyl-prop-2-en-1-one","","","","",NA,"PDBC06892","644920","Present"
-"(Z)-3-[[(4Z)-4-(5,5-Dimethyl-4-methyliminofuran-2-yl)imino-5,5-dimethylfuran-2-yl]amino]-4-hydroxy-4-methylpent-2-enenitrile","","","","","","","","","","","","","","","","","","","","(Z)-3-[[(4Z)-4-(5,5-Dimethyl-4-methyliminofuran-2-yl)imino-5,5-dimethylfuran-2-yl]amino]-4-hydroxy-4-methylpent-2-enenitrile","","CC1(C(=NC2=CC(=NC)C(O2)(C)C)C=C(O1)NC(=CC#N)C(C)(C)O)C","GKQOLCCUJNAKTN-CHIDIZNZSA-N","9571921",NA,"PDBC06893","670995","Present"
-"(Z)-3-[[(Z)-3-Oxo-1,3-diphenyl-prop-1-enoxy]-diphenyl-stannyl]oxy-1,3-diphenyl-prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","(Z)-3-[[(Z)-3-Oxo-1,3-diphenyl-prop-1-enoxy]-diphenyl-stannyl]oxy-1,3-diphenyl-prop-2-en-1-one","","","","",NA,"PDBC06894","644911","Present"
-"(Z)-3-[[9-(Trifluoromethylsulfonyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methyl]hex-4-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-3-[[9-(Trifluoromethylsulfonyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methyl]hex-4-enoic acid","","CC=CC(CC(=O)O)CN1CCC2=C(C1)C(C3=CC=CC=C23)S(=O)(=O)C(F)(F)F","NYLYHAJBSAZDTF-DJWKRKHSSA-N","5470065",NA,"PDBC06895","697243","Present"
-"(Z)-4-(2-Aminoanilino)-1,1,1-trichloro-4-phenylbut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(Z)-4-(2-Aminoanilino)-1,1,1-trichloro-4-phenylbut-3-en-2-one","","C1=CC=C(C=C1)C(=CC(=O)C(Cl)(Cl)Cl)NC2=CC=CC=C2N","PMPJVYCJHSIPRD-UVTDQMKNSA-N","5472007",NA,"PDBC06896","715846","Present"
-"(Z)-4-(2-Aminoanilino)-1,1,1-trichlorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(Z)-4-(2-Aminoanilino)-1,1,1-trichlorobut-3-en-2-one","","C1=CC=C(C(=C1)N)NC=CC(=O)C(Cl)(Cl)Cl","UTHZONLZLHHUPR-WAYWQWQTSA-N","5471820",NA,"PDBC06897","714075","Present"
-"(Z)-4-(3,4-Dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine","","","","","","","","","","","","","","","","","","","","Bis[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-3,4-dihydronaphthalen-1(2H)-ylidene]hydrazine","","CC1=C(C=C(C=C1)C2(CCC(=NN=C3CCC(C4=C3C=C(C(=C4)C)C)(C)C5=CC(=C(C=C5)C)C)C6=C2C=C(C(=C6)C)C)C)C","MBXNBYCQXFRCLX-XRXZHQAKSA-N","54609936",NA,"PDBC06898","111326","Present"
-"(Z)-4-(3-Chlorophenyl)-3-(3-methylcyclohexanecarbonyl)-2-oxobut-3-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-4-(3-Chlorophenyl)-3-(3-methylcyclohexanecarbonyl)-2-oxobut-3-enoic acid","","CC1CCCC(C1)C(=O)C(=CC2=CC(=CC=C2)Cl)C(=O)C(=O)O","WXZJANUZVNOTHQ-GDNBJRDFSA-N","5351370",NA,"PDBC06899","636084","Present"
-"(Z)-4-(4-Bromophenyl)-1,1,1-trichloro-4-(2-hydroxyanilino)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(Z)-4-(4-Bromophenyl)-1,1,1-trichloro-4-(2-hydroxyanilino)but-3-en-2-one","","C1=CC=C(C(=C1)NC(=CC(=O)C(Cl)(Cl)Cl)C2=CC=C(C=C2)Br)O","SCGZNAYQVMRDPU-LCYFTJDESA-N","5472004",NA,"PDBC06900","715843","Present"
-"(Z)-4-(4-Chlorophenyl)-1-(1,3-dithiolan-2-ylidene)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","(Z)-4-(4-Chlorophenyl)-1-(1,3-dithiolan-2-ylidene)but-3-en-2-one","","C1CSC(=CC(=O)C=CC2=CC=C(C=C2)Cl)S1","KRLVHPDIDCYCJD-UTCJRWHESA-N","5351405",NA,"PDBC06901","648320","Present"
-"(Z)-4-(4-Chlorophenyl)-2-[2-(2,4-dinitrophenyl)hydrazinyl]-4-oxobut-2-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-4-(4-Chlorophenyl)-2-[2-(2,4-dinitrophenyl)hydrazinyl]-4-oxobut-2-enoic acid","","C1=CC(=CC=C1C(=O)C=C(C(=O)O)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl","UDBWHHQFJDZCCA-JYRVWZFOSA-N","5472618",NA,"PDBC06902","720449","Present"
-"(Z)-4-(Tert-Butyldimethylsilyloxy)-3,4',5-trimethoxystilbene","","","","","","","","","","","","","","","","","","","","(Z) 4-.tert.Butyldimethylsilyloxy-3,4',5-trimethoxystilbene","","CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)C=CC2=CC=C(C=C2)OC)OC","QYELFYNGCBSTLN-KTKRTIGZSA-N","5388771",NA,"PDBC06903","638489","Present"
-"(Z)-4-Bromo-4-iodo-3-phenylbut-3-en-2-one","","","","","","","","","","","","","","","","","","","","(Z)-4-bromo-4-iodo-3-phenyl-3-buten-2-one","","CC(=O)C(=C(Br)I)C1=CC=CC=C1","HFETZVUWYDOJFD-MDZDMXLPSA-N","5467656",NA,"PDBC06904","657561","Present"
-"(Z)-4-Hexylsulfanyl-N-methoxybutan-2-imine","","","","","","","","","","","","","","","","","","","","NSC685028","","CCCCCCSCCC(=NOC)C","CXMWHEIBSHXAQB-QXMHVHEDSA-N","5466314",NA,"PDBC06905","685028","Present"
-"(Z)-4-Iodo-3-phenyl-3-buten-2-one","","","","","","","","","","","","","","","","","","","","(Z)-4-iodo-3-phenyl-3-buten-2-one","","CC(=O)C(=CI)C1=CC=CC=C1","YGFIPPXQZXTJHB-JXMROGBWSA-N","5468685",NA,"PDBC06906","674456","Present"
-"(Z)-4-Oxo-4-(pyridin-2-ylamino)but-2-enoic acid","","","","","","","","","","","","","","","","","","","","2-Butenoic acid, 4-oxo-4-(2-pyridinylamino)-, (Z)-","","C1=CC=NC(=C1)NC(=O)C=CC(=O)O","GQYYIMWMAHTMMR-PLNGDYQASA-N","1551264",NA,"PDBC06907","112778","Present"
-"(Z)-4-Oxo-4-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]amino]but-2-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-4-Oxo-4-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]amino]but-2-enoic acid","","CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1NC(=O)C=CC(=O)O)C)C","GAEQOTKVXDYOMY-ZCXUNETKSA-N","60148174",NA,"PDBC06908","753867","Present"
-"(Z)-4-Trimethylsilylbut-3-en-1-ol","","","","","","","","","","","","","","","","","","","","(Z)-4-Trimethylsilylbut-3-en-1-ol","","C[Si](C)(C)C=CCCO","UNYWZJAUMOWBRU-ALCCZGGFSA-N","5386726",NA,"PDBC06909","617364","Present"
-"(Z)-4-Triphenylstannyloxypent-3-en-2-one","","","","","","","","","","","","","","","","","","","","(Z)-4-Triphenylstannyloxypent-3-en-2-one","","","","",NA,"PDBC06910","644913","Present"
-"(Z)-4-[(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-2-methyl-4-oxo-but-2-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-4-[(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-2-methyl-4-oxo-but-2-enoic acid","","CC(=CC(=O)NN1C(=NNC1=O)CC2=CC=CC=C2)C(=O)O","KCKVGQAUIGERGO-CLFYSBASSA-N","5469109",NA,"PDBC06911","683294","Present"
-"(Z)-4-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-4-oxo-but-2-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-4-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-4-oxo-but-2-enoic acid","","CCC1=NNC(=O)N1NC(=O)C=CC(=O)O","IXPTXGARLGYSIP-ARJAWSKDSA-N","5469085",NA,"PDBC06912","682726","Present"
-"(Z)-4-[(7-Fluoro-9-oxofluoren-2-yl)amino]-4-oxobut-2-enoic acid","","","","","","","","","","","","","","","","","","","","(Z)-4-[(7-Fluoro-9-oxofluoren-2-yl)amino]-4-oxobut-2-enoic acid","","C1=CC2=C(C=C1NC(=O)C=CC(=O)O)C(=O)C3=C2C=CC(=C3)F","RDYCKZHXTUXBGI-WAYWQWQTSA-N","5351835",NA,"PDBC06913","57443","Present"
-"(Z)-4-[Tert-butyl(dimethyl)silyl]oxy-N-(2-iodophenyl)-N,2-dimethylbut-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-4-[Tert-butyl(dimethyl)silyl]oxy-N-(2-iodophenyl)-N,2-dimethylbut-2-enamide","","CC(=CCO[Si](C)(C)C(C)(C)C)C(=O)N(C)C1=CC=CC=C1I","QLEPLPADLDBFDG-OWBHPGMISA-N","5471929",NA,"PDBC06914","715447","Present"
-"(Z)-5,5-dibutyl-3-((3,5-dimethyl-4-pentyl-2H-pyrrol-2-yl...","","","","","","","","","","","","","","","","","","","","(Z)-5,5-dibutyl-3-((3,5-dimethyl-4-pentyl-2H-pyrrol-2-yl...","","","","",NA,"PDBC06915","782505","Present"
-"(Z)-5-((E)-3-(4-(Diethylamino)phenyl)allylidene)imidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","(Z)-5-((E)-3-(4-(diethylamino)phenyl)allylidene)imidazol...","","CCN(CC)C1=CC=C(C=C1)C=CC=C2C(=O)NC(=O)N2","BBQBCXGVMSNGLX-JEZZUBLBSA-N","53495015",NA,"PDBC06916","751109","Present"
-"(Z)-5-Difluoroboranyloxy-2,2,6,6-tetramethyl-hept-4-en-3-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Difluoroboranyloxy-2,2,6,6-tetramethyl-hept-4-en-3-one","","B(OC(=CC(=O)C(C)(C)C)C(C)(C)C)(F)F","RDRZXKQQYJHJEF-CLFYSBASSA-N","6300245",NA,"PDBC06917","684728","Present"
-"(Z)-5-[Benzyl(methyl)amino]-2-(4-chlorophenyl)-1-phenylpent-1-en-3-one","","","","","","","","","","","","","","","","","","","","(Z)-5-[Benzyl(methyl)amino]-2-(4-chlorophenyl)-1-phenylpent-1-en-3-one","","CN(CCC(=O)C(=CC1=CC=CC=C1)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3","LONJEUANXZHGKA-MOHJPFBDSA-N","5897951",NA,"PDBC06918","15813","Present"
-"(Z)-6-(2-(Pyridin-2-ylmethylene)hydrazinyl)-9H-purine","","","","","","","","","","","","","","","","","","","","(Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine","","C1=CC=NC(=C1)C=NNC2=NC=NC3=C2NC=N3","QAWUBZMNRHJLIP-ZWSORDCHSA-N","60147744",NA,"PDBC06919","752329","Present"
-"(Z)-6-(2-(Pyridin-2-ylmethylene)hydrazinyl)-9H-purine-9-beta-D-riboside","","","","","","","","","","","","","","","","","","","","(Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine-9-...","","C1=CC=NC(=C1)C=NNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O","FMNUMZGKFWHCHT-SQFVCTCFSA-N","60147746",NA,"PDBC06920","752331","Present"
-"(Z)-9-(2-Cyanoethyl)zeatin","","","","","","","","","","","","","","","","","","","","(Z)-9-(2-Cyanoethyl)zeatin","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC#N)CO","DCVCQYZTZWDEHV-KMKOMSMNSA-N","5468591",NA,"PDBC06921","672187","Present"
-"(Z)-9-(Carboxyethyl)zeatin","","","","","","","","","","","","","","","","","","","","(Z)-9-(Carboxyethyl)zeatin","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)O)CO","VXKABCKGPOCQHU-MBXJOHMKSA-N","5468592",NA,"PDBC06922","672188","Present"
-"(Z)-Benzhydryl-methoxycarbonylimino-oxido-ammonium","","","","","","","","","","","","","","","","","","","","(Z)-Benzhydryl-methoxycarbonylimino-oxido-ammonium","","COC(=O)N=[N+](C(C1=CC=CC=C1)C2=CC=CC=C2)[O-]","ANJFKZJCPRIKGF-MSUUIHNZSA-N","9556320",NA,"PDBC06923","692595","Present"
-"(Z)-Bis(4-chlorophenyl)methyl-methoxycarbonylimino-oxido-ammonium","","","","","","","","","","","","","","","","","","","","(Z)-Bis(4-chlorophenyl)methyl-methoxycarbonylimino-oxido-ammonium","","COC(=O)N=[N+](C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)[O-]","ZYHCCMXZZJEYNG-HNENSFHCSA-N","9556321",NA,"PDBC06924","692596","Present"
-"(Z)-But-2-enedioic acid;6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine","","","","","","","","","","","","","","","","","","","","(Z)-But-2-enedioic acid;6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine","","C1CCCC2=NC3=CC=CC=C3C(=C2CC1)N.C(=CC(=O)O)C(=O)O","FQPLPNGFKAQMEG-BTJKTKAUSA-N","5472186",NA,"PDBC06925","716848","Present"
-"(Z)-But-2-enedioic acid;N',N'-diethyl-N-(6-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","(Z)-But-2-enedioic acid;N',N'-diethyl-N-(6-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)propane-1,3-diamine","","CCN(CC)CCCNC1=NC=C(C2=C1C3=C(N2)C=CN=C3)C.C(=CC(=O)O)C(=O)O","DMSRCQLWEYDRGW-BTJKTKAUSA-N","5387625",NA,"PDBC06926","625331","Present"
-"(Z)-Diethylamino-(2-hydroxypropoxyimino)-oxido-ammonium","","","","","","","","","","","","","","","","","","","","1-((3,3-Diethyl-2-hydroxy-2.lambda.~5~-1-triazenyl)oxy)-2-propanol","","CCN(CC)[N+](=NOCC(C)O)[O-]","SEJJLCNXRRIDAN-NTMALXAHSA-N","6271248",NA,"PDBC06927","634618","Present"
-"(Z)-Diethylamino-ethoxyimino-oxido-ammonium","","","","","","","","","","","","","","","","","","","","1-Ethoxy-3,3-diethyl-2-hydroxy-2lambda~5~-1-triazene","","CCN(CC)[N+](=NOCC)[O-]","SRJKODOVPLCCQN-CLFYSBASSA-N","9579053",NA,"PDBC06928","634615","Present"
-"(Z)-Diethylamino-methoxyimino-oxido-ammonium","","","","","","","","","","","","","","","","","","","","(Z)-Diethylamino-methoxyimino-oxido-ammonium","","CCN(CC)[N+](=NOC)[O-]","RRVPABSEZXWXNU-VURMDHGXSA-N","9571268",NA,"PDBC06929","634616","Present"
-"(Z)-Diethylamino-oxido-propoxyimino-ammonium","","","","","","","","","","","","","","","","","","","","3,3-Diethyl-2-hydroxy-1-propoxy-2.lambda.~5~-1-triazene","","CCCON=[N+](N(CC)CC)[O-]","SRMGPOJFLKZFES-NTMALXAHSA-N","9555820",NA,"PDBC06930","634617","Present"
-"(Z)-Fluoro-N,N-dimethyl((trifluoromethyl)phosphinidene)methanamine","","","","","","","","","","","","","","","","","","","","(Z)-Fluoro-N,N-dimethyl((trifluoromethyl)phosphinidene)methanamine","","CN(C)C(=PC(F)(F)F)F","JAFKXNNBVUDANZ-UHFFFAOYSA-N","374024",NA,"PDBC06931","651203","Present"
-"(Z)-Methyl 2-(2-((1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-2-phenyl-1H-imidazol-4(5H)-ylidene)methyl)phenoxy)acetate","","","","","","","","","","","","","","","","","","","","(Z)-methyl 2-(2-((1-(2-chloro-5-(trifluoromethyl)phenyl)...","","COC(=O)COC1=CC=CC=C1C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl","FGEFQMSZDKQYCF-MOSHPQCFSA-N","45028020",NA,"PDBC06932","740620","Present"
-"(Z)-Methyl 2-(4-((1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-2-phenyl-1H-imidazol-4(5H)-ylidene)methyl)phenoxy)acetate","","","","","","","","","","","","","","","","","","","","(Z)-methyl 2-(4-((1-(2-chloro-5-(trifluoromethyl)phenyl)...","","COC(=O)COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl","HFDQKZMPRFRSPA-BKUYFWCQSA-N","45028019",NA,"PDBC06933","740619","Present"
-"(Z)-N-(1,3-Benzodioxol-5-ylmethyl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-(1,3-Benzodioxol-5-ylmethyl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide","","CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C=CSC3=CC=CC=C3","OHHVAYUTUCSMON-QXMHVHEDSA-N","5470808",NA,"PDBC06934","705327","Present"
-"(Z)-N-(2-Chlorophenyl)-N,2-dimethyl-3-tri(propan-2-yl)silyloxybut-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-(2-Chlorophenyl)-N,2-dimethyl-3-tri(propan-2-yl)silyloxybut-2-enamide","","CC(C)[Si](C(C)C)(C(C)C)OC(=C(C)C(=O)N(C)C1=CC=CC=C1Cl)C","NBRZXKKEZXCTEK-ZCXUNETKSA-N","5470311",NA,"PDBC06935","699403","Present"
-"(Z)-N-(2-Chlorophenyl)-N-methyl-3-tri(propan-2-yl)silyloxybut-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-(2-Chlorophenyl)-N-methyl-3-tri(propan-2-yl)silyloxybut-2-enamide","","CC(C)[Si](C(C)C)(C(C)C)OC(=CC(=O)N(C)C1=CC=CC=C1Cl)C","ZXWAXYAKVRPPNO-LGMDPLHJSA-N","5470310",NA,"PDBC06936","699399","Present"
-"(Z)-N-(3-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-(3-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide","","CCOC(=C(C(=N)N1CCOCC1)C(=O)NC2=CC(=CC=C2)Cl)O","NICHYXPYBFOFFV-BURJPGGPSA-N","135426612",NA,"PDBC06937","703903","Present"
-"(Z)-N-(3-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-(3-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide","","CCOC(=C(C(=N)N1CCCC1)C(=O)NC2=CC(=CC=C2)Cl)O","GBKDGPGFNTUNMX-BURJPGGPSA-N","135426607",NA,"PDBC06938","703898","Present"
-"(Z)-N-(4-Chlorophenyl)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-(4-Chlorophenyl)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide","","C1CN(C(=S)N1C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3","XOEBLQNXRXTYEU-QXMHVHEDSA-N","24203792",NA,"PDBC06939","729524","Present"
-"(Z)-N-(4-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-(4-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide","","CCOC(=C(C(=N)N1CCOCC1)C(=O)NC2=CC=C(C=C2)Cl)O","WUZJJJUTVMOOHN-BURJPGGPSA-N","135426610",NA,"PDBC06940","703901","Present"
-"(Z)-N-(4-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-(4-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide","","CCOC(=C(C(=N)N1CCCC1)C(=O)NC2=CC=C(C=C2)Cl)O","BLOQPGARQGROCM-BURJPGGPSA-N","135426606",NA,"PDBC06941","703897","Present"
-"(Z)-N-(Oxiran-2-ylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine","","","","","","","","","","","","","","","","","","","","(Z)-N-(Oxiran-2-ylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine","","C1CCC(=NOCC2CO2)C3=CC=CC=C3C1","LTMIGQKLRCCGLK-PFONDFGASA-N","6288461",NA,"PDBC06942","622930","Present"
-"(Z)-N-Butyl-5-trimethylsilylhept-5-en-1-amine","","","","","","","","","","","","","","","","","","","","(Z)-N-Butyl-5-trimethylsilylhept-5-en-1-amine","","CCCCNCCCCC(=CC)[Si](C)(C)C","WOBFJIMQGZUBBB-AUWJEWJLSA-N","5386722",NA,"PDBC06943","617357","Present"
-"(Z)-N-Methoxy-1-phenoxathiin-2-ylmethanimine","","","","","","","","","","","","","","","","","","","","NSC691892","","CON=CC1=CC2=C(C=C1)OC3=CC=CC=C3S2","AUVRMLAAPHGBTP-DHDCSXOGSA-N","5930847",NA,"PDBC06944","691892","Present"
-"(Z)-N-Tert-butyl-2-phenyl-3-phenylsulfanylprop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-Tert-butyl-2-phenyl-3-phenylsulfanylprop-2-enamide","","CC(C)(C)NC(=O)C(=CSC1=CC=CC=C1)C2=CC=CC=C2","APHOPDRCFGKIKO-VKAVYKQESA-N","5470813",NA,"PDBC06945","705332","Present"
-"(Z)-N-Tert-butyl-N-[(3-methoxyphenyl)methyl]-3-phenylsulfanylprop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-Tert-butyl-N-[(3-methoxyphenyl)methyl]-3-phenylsulfanylprop-2-enamide","","CC(C)(C)N(CC1=CC(=CC=C1)OC)C(=O)C=CSC2=CC=CC=C2","QWWPYRCDGPXHHY-YPKPFQOOSA-N","5470816",NA,"PDBC06946","705335","Present"
-"(Z)-N-Tert-butyl-N-[(Z)-2-methyl-3-phenylprop-2-enyl]-3-phenylsulfanylprop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-Tert-butyl-N-[(Z)-2-methyl-3-phenylprop-2-enyl]-3-phenylsulfanylprop-2-enamide","","CC(=CC1=CC=CC=C1)CN(C(=O)C=CSC2=CC=CC=C2)C(C)(C)C","BVONSTCKJWVGQA-RKXLPSGMSA-N","5470817",NA,"PDBC06947","705336","Present"
-"(Z)-N-[(Z)-(5-Bromo-2-oxo-indolin-3-ylidene)amino]-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-[(Z)-(5-Bromo-2-oxo-indolin-3-ylidene)amino]-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide","","C1=CC(=CC=C1C(=CC(=O)C(=O)N=NC2=C(NC3=C2C=C(C=C3)Br)O)O)Cl","BUCFALJOQKQOFN-GENUSMHZSA-N","135426685",NA,"PDBC06948","707059","Present"
-"(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine","","","","","","","","","","","","","","","","","","","","(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine","","","","",NA,"PDBC06949","630457","Present"
-"(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dimethylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine","","","","","","","","","","","","","","","","","","","","(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dimethylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine","","","","",NA,"PDBC06950","630456","Present"
-"(Z)-N-[1-Hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-2-methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-[1-Hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-2-methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide","","CC1=C(C(=O)NC(=O)N1)C=C(C)C(=O)NC(CO)CSCSC","PHNDAAHKXMCWTN-YWEYNIOJSA-N","54600364",NA,"PDBC06951","208916","Present"
-"(Z)-N-[1-Hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","(Z)-N-[1-Hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide","","CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CSCSC","LJFIHLCSTKGOGE-ARJAWSKDSA-N","54600519",NA,"PDBC06952","251820","Present"
-"(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methanimine","","","","","","","","","","","","","","","","","","","","(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methanimine","","CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)C=NO[Si](C)(C)C(C)(C)C)OC","WJVLSGYGUKKMED-QNGOZBTKSA-N","5837898",NA,"PDBC06953","620547","Present"
-"(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanimine","","","","","","","","","","","","","","","","","","","","(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanimine","","CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)C=NO[Si](C)(C)C(C)(C)C","AIOQXSULGQLXLW-HKWRFOASSA-N","5876528",NA,"PDBC06954","620528","Present"
-"(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanimine","","","","","","","","","","","","","","","","","","","","(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanimine","","CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1)C=NO[Si](C)(C)C(C)(C)C)OC","YFJLHBHETMMFRW-QNGOZBTKSA-N","6140846",NA,"PDBC06955","620534","Present"
-"(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanimine","","","","","","","","","","","","","","","","","","","","(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanimine","","CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C=NO[Si](C)(C)C(C)(C)C","YEYDWXCFCHLAQA-HKWRFOASSA-N","6374163",NA,"PDBC06956","620535","Present"
-"(Z)-Oxido-[4-[[5-[(E)-oxidodiazenyl]-3-(2-phenylethyl)oxadiazol-3-ium-4-yl]methyl]-3-(2-phenylethyl)oxadiazol-3-ium-5-yl]diazene","","","","","","","","","","","","","","","","","","","","(Z)-Oxido-[4-[[5-[(E)-oxidodiazenyl]-3-(2-phenylethyl)oxadiazol-3-ium-4-yl]methyl]-3-(2-phenylethyl)oxadiazol-3-ium-5-yl]diazene","","C1=CC=C(C=C1)CC[N+]2=NOC(=C2CC3=C(ON=[N+]3CCC4=CC=CC=C4)N=N[O-])N=N[O-]","MFUZAVARFCWAHT-UHFFFAOYSA-N","5466145",NA,"PDBC06957","679183","Present"
-"(Z)-[2-[(2,5-Dioxopyrrolidin-1-yl)methyl]phenyl]-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]imino-oxido-ammonium","","","","","","","","","","","","","","","","","","","","[2-[(2,5-Dioxopyrrolidin-1-yl)methyl]phenyl]-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]imino-oxidoazanium","","C1CC(=O)N(C1=O)CC2=CC=CC=C2N=[N+](C3=CC=CC=C3CN4C(=O)CCC4=O)[O-]","PGDHHYNUJGQPPN-UHFFFAOYSA-N","376199",NA,"PDBC06958","656736","Present"
-"(Z)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","(Z)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate","","CCCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)C2CCCCC2","TWJLJPPXHKRRIE-HKWRFOASSA-N","5470627",NA,"PDBC06959","703755","Present"
-"(Z)-[5-(3-Carboxy-N-methylanilino)-2,4-dinitrophenoxy]imino-(dimethylamino)-oxidoazanium","","","","","","","","","","","","","","","","","","","","(O2-[2,4-dinitro-5-(N-methyl-N-3-carboxyphenylamino)phen...","","CN(C)[N+](=NOC1=C(C=C(C(=C1)N(C)C2=CC=CC(=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[O-]","QBHSLICNFYJTEK-XLNRJJMWSA-N","11567964",NA,"PDBC06960","731702","Present"
-"(Z)-[5-(3-Carboxyanilino)-2,4-dinitrophenoxy]imino-(dimethylamino)-oxidoazanium","","","","","","","","","","","","","","","","","","","","(O2-[2,4-dinitro-5-(N-3-caboethoxyphenylamino)phenyl 1-N...","","CN(C)[N+](=NOC1=C(C=C(C(=C1)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[O-]","JMWYZQWHCQIRKO-FXBPSFAMSA-N","11509692",NA,"PDBC06961","731706","Present"
-"(Z)-[5-(4-Carboxy-N-methylanilino)-2,4-dinitrophenoxy]imino-(dimethylamino)-oxidoazanium","","","","","","","","","","","","","","","","","","","","(O2-[2,4-dinitro-5-(N-methyl-N-4-carboxyphenylamino)phen...","","CN(C)[N+](=NOC1=C(C=C(C(=C1)N(C)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[O-]","MRCBZTBFHKYOKS-XLNRJJMWSA-N","11154356",NA,"PDBC06962","731703","Present"
-"(Z)-[5-(4-Carboxyanilino)-2,4-dinitrophenoxy]imino-(dimethylamino)-oxidoazanium","","","","","","","","","","","","","","","","","","","","(O2-[2,4-dinitro-5-(N-4-caboethoxyphenylamino)phenyl 1-N...","","CN(C)[N+](=NOC1=C(C=C(C(=C1)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[O-]","XAARCECGRZMFSP-FXBPSFAMSA-N","11582215",NA,"PDBC06963","731705","Present"
-"(Z)-[Cyclohexyl-(4-methoxyphenyl)methyl]-methoxycarbonylimino-oxido-ammonium","","","","","","","","","","","","","","","","","","","","(Z)-[Cyclohexyl-(4-methoxyphenyl)methyl]-methoxycarbonylimino-oxido-ammonium","","COC1=CC=C(C=C1)C(C2CCCCC2)[N+](=NC(=O)OC)[O-]","HPXCZPHXMGWMRR-ZCXUNETKSA-N","9556322",NA,"PDBC06964","692597","Present"
-"(Z)-{2-(Hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methyl benzoate","","","","","","","","","","","","","","","","","","","","[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl benzoate","","CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C2=CC=CC=C2)C(C)C","LBUKYFWZBTXWFE-ZDLGFXPLSA-N","5470629",NA,"PDBC06965","703757","Present"
-"(Z)-{2-(Hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methylcyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl cyclohexanecarboxylate","","CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C2CCCCC2)C(C)C","MQVKKNWFZZUPHW-ZDLGFXPLSA-N","5470631",NA,"PDBC06966","703759","Present"
-"(Z)3,4,5-Trimethoxy-4'-ethoxystilbene","","","","","","","","","","","","","","","","","","","","(Z)3,4,5-Trimethoxy-4'-ethoxystilbene","","CCOC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","DSXJJVAVIOTERY-SREVYHEPSA-N","5388749",NA,"PDBC06967","638404","Present"
-"(Z)3,4,5-Trimethoxy-4'-methylstilbene","","","","","","","","","","","","","","","","","","","","(Z)3,4,5-Trimethoxy-4'-methylstilbene","","CC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","YSJFPRSDNPCGBF-KTKRTIGZSA-N","5388767",NA,"PDBC06968","638485","Present"
-"(Z)3,4,5-Trimethoxystilbene","","","","","","","","","","","","","","","","","","","","(Z)3,4,5-Trimethoxystilbene","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=CC=C2","CMQGCWMEXQRWSS-KTKRTIGZSA-N","5388756",NA,"PDBC06969","638411","Present"
-"(Z,1R)-1-[(2R,3R,5Z)-3-[Tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-trimethylsilylhex-3-en-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","(Z,1R)-1-[(2R,3R,5Z)-3-[Tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-trimethylsilylhex-3-en-5-yn-1-ol","","CCC1C(CC=CCC(O1)C(CC=CC#C[Si](C)(C)C)O)O[Si](C)(C)C(C)(C)C","AEAYTIFDAAZKPN-YSOABVGZSA-N","54608568",NA,"PDBC06970","695209","Present"
-"(Z,3Z)-1,2-Dichloro-N,N-diethyl-3-(3-methoxy-7-azabicyclo[4.2.0]octa-1(6),2,4-trien-8-ylidene)-3-nitroprop-1-en-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","(Z,3Z)-1,2-Dichloro-N,N-diethyl-3-(3-methoxy-7-azabicyclo[4.2.0]octa-1(6),2,4-trien-8-ylidene)-3-nitroprop-1-en-1-amine;hydrochloride","","CCN(CC)C(=C(C(=C1C2=C(N1)C=CC(=C2)OC)[N+](=O)[O-])Cl)Cl.Cl","MFZOABHVBKZKRN-INWZTCDFSA-N","5471293",NA,"PDBC06971","710284","Present"
-"(Z,7S)-8-[Tert-butyl(dimethyl)silyl]oxy-7-[(9-phenylfluoren-9-yl)amino]oct-5-enoic acid","","","","","","","","","","","","","","","","","","","","(Z,7S)-8-[Tert-butyl(dimethyl)silyl]oxy-7-[(9-phenylfluoren-9-yl)amino]oct-5-enoic acid","","CC(C)(C)[Si](C)(C)OCC(C=CCCCC(=O)O)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4","UEPVIFJQIUJUFH-FUJNUPIQSA-N","5471922",NA,"PDBC06972","715433","Present"
-"(biphenyl-4-methylene-hydrazinomethylcarbonylsulfanyl)ac...","","","","","","","","","","","","","","","","","","","","(biphenyl-4-methylene-hydrazinomethylcarbonylsulfanyl)ac...","","C1=CC=C(C=C1)C2=CC=C(C=C2)C=NNC(=O)CSCC(=O)NN=CC3=CC=C(C=C3)C4=CC=CC=C4","WYBKVSMSWJMAFI-CDSIFPFTSA-N","9572669",NA,"PDBC06973","724064","Present"
-"(dioxo[?]yl) acetate","","","","","","","","","","","","","","","","","","","","(dioxo[?]yl) acetate","","CC(=O)OC12C(C3C1C(=O)OC3=O)C4=CC=CC=C4C5=CC=CC=C25","UJAGUKNREZHAON-UHFFFAOYSA-N","372344",NA,"PDBC06974","647403","Present"
-"(e)-2-Methyl-10-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[d]thiazolo[3,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","(E)-2-methyl-10-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-t...","","CC1=CN2C(C3=C(C(=CC4=CC(=C(C(=C4)OC)OC)OC)CCCC3)N=C2S1)C5=CC(=C(C(=C5)OC)OC)OC","JFNHKSJTHYDVHG-UDWIEESQSA-N","76853564",NA,"PDBC06975","764022","Present"
-"(e)-5-Chloro-3-((6-(4-chlorophenyl)-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene)indolin-2-one","","","","","","","","","","","","","","","","","","","","(E)-5-chloro-3-((6-(4-chlorophenyl)-2-cyclopropylimidazo...","","C1CC1C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)Cl)C=C5C6=C(C=CC(=C6)Cl)NC5=O","WFDFTEILNYKGEW-MHWRWJLKSA-N","154584438",NA,"PDBC06976","774989","Present"
-"(e)-Bis(3-nitrophenyl)diarsene","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-41370","","C1=CC(=CC(=C1)[As]=[As]C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]","CKTGDBNPJIMZJP-UHFFFAOYSA-N","237667",NA,"PDBC06977","41370","Present"
-"(e)-Ethyl 9-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5h-thiazolo[2,3-b]quinazoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","(E)-ethyl 9-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trime...","","CCOC(=O)C1=CSC2=NC3=C(CCCC3=CC4=CC(=C(C(=C4)OC)OC)OC)C(N12)C5=CC(=C(C(=C5)OC)OC)OC","MCTLUBIEHGQESO-XDHOZWIPSA-N","76853562",NA,"PDBC06978","763541","Present"
-"(hexachloro[?]yl) acetate","","","","","","","","","","","","","","","","","","","","(hexachloro[?]yl) acetate","","CC(=O)OC1C2CCC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl","SBDFAYSYHLEGJM-UHFFFAOYSA-N","361985",NA,"PDBC06979","625463","Present"
-"(isopropylamino)[?]ol","","","","","","","","","","","","","","","","","","","","(isopropylamino)[?]ol","","CC(C)NC1CCCCC2C1(C3=CC=CC=C23)O","JYLTYLGMYCSVSD-UHFFFAOYSA-N","375506",NA,"PDBC06980","655288","Present"
-"(l)-Edunol","","","","","","","","","","","","","","","","","","","","(l)-Edunol","","CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=CC5=C(C=C34)OCO5)C","UFBHHWPUVXVFRG-BTYIYWSLSA-N","182148",NA,"PDBC06981","356826","Present"
-"(p-Nitrobenzyl)triphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","ZX-AT026290","","C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","IPJPTPFIJLFWLP-UHFFFAOYSA-M","197008",NA,"PDBC06982","617038","Present"
-"(p-Nitrophenyl)phenyliodonium bromide","","","","","","","","","","","","","","","","","","","","(p-Nitrophenyl)phenyliodonium bromide","","C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-].[Br-]","KWVVQCUQKOQNKK-UHFFFAOYSA-M","19992",NA,"PDBC06983","86354","Present"
-"(r,s)-roscovitine","","","","","","","","","","","","","","","","","","","","(r,s)-roscovitine","","CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3","BTIHMVBBUGXLCJ-UHFFFAOYSA-N","5097",NA,"PDBC06984","683246","Present"
-"(s)-Methyl 2-oxooxazolidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","NSC676712","","COC(=O)C1COC(=O)N1","PZIWTVKXOORXAZ-VKHMYHEASA-N","385463",NA,"PDBC06985","676712","Present"
-"(selenophene-2,5-diylbis(furan-5,2-diyl))dimethanol","","","","","","","","","","","","","","","","","","","","(selenophene-2,5-diylbis(furan-5,2-diyl))dimethanol","","C1=C(OC(=C1)C2=CC=C([Se]2)C3=CC=C(O3)CO)CO","CLHWRMBDRODQSV-UHFFFAOYSA-N","85761449",NA,"PDBC06986","773392","Present"
-"(sp-4-2)-mu4-[n,n<U+00F8>-bis(3-aminopropyl)butane-1,4-diamine]...","","","","","","","","","","","","","","","","","","","","(sp-4-2)-mu4-[n,n<U+00F8>-bis(3-aminopropyl)butane-1,4-diamine]...","","","","",NA,"PDBC06987","755123","Present"
-"(thiophene-2,4-diylbis(furan-5,2-diyl))dimethanol","","","","","","","","","","","","","","","","","","","","(thiophene-2,4-diylbis(furan-5,2-diyl))dimethanol","","C1=C(OC(=C1)C2=CC(=CS2)C3=CC=C(O3)CO)CO","ZVWQSTBARRBMBR-UHFFFAOYSA-N","155816840",NA,"PDBC06988","782846","Present"
-"(thiophene-2,5-diylbis(furan-5,2-diyl))dimethanol","","","","","","","","","","","","","","","","","","","","(thiophene-2,5-diylbis(furan-5,2-diyl))dimethanol","","C1=C(OC(=C1)C2=CC=C(S2)C3=CC=C(O3)CO)CO","GRVJRZFWINJLLL-UHFFFAOYSA-N","71530013",NA,"PDBC06989","773097","Present"
-"(thiophene-3,4-diylbis(furan-5,2-diyl))dimethanol","","","","","","","","","","","","","","","","","","","","(thiophene-3,4-diylbis(furan-5,2-diyl))dimethanol","","C1=C(OC(=C1)C2=CSC=C2C3=CC=C(O3)CO)CO","KLLLEBRYCASLCV-UHFFFAOYSA-N","155809776",NA,"PDBC06990","777422","Present"
-"(z)-1,4-Dimethoxy-2-butene","","","","","","","","","","","","","","","","","","","","(z)-1,4-Dimethoxy-2-butene","","COCC=CCOC","RXNMLQHZBCJMBA-ARJAWSKDSA-N","5386697",NA,"PDBC06991","617174","Present"
-"(z)-[2-(Hydroxymethyl)phenyl]-[2-(hydroxymethyl)phenyl]imino-oxido-ammonium","","","","","","","","","","","","","","","","","","","","(z)-[2-(Hydroxymethyl)phenyl]-[2-(hydroxymethyl)phenyl]imino-oxido-ammonium","","C1=CC=C(C(=C1)CO)N=[N+](C2=CC=CC=C2CO)[O-]","OKCYVCFBMITAFC-UHFFFAOYSA-N","392332",NA,"PDBC06992","692608","Present"
-"({5-[4-(1,3-Benzoxazol-2-yl)phenyl]-2-furyl}methylene)malono nitrile","","","","","","","","","","","","","","","","","","","","({5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-furyl}methylene)ma...","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(O4)C=C(C#N)C#N","VEBRWVWONCGJCM-UHFFFAOYSA-N","24203194",NA,"PDBC06993","727100","Present"
-"({6-[(Bis-tert-butoxycarbonylmethyl-amino)-methyl]-4-ethynyl-pyridin-2-ylmethyl}-tert-butoxycarbonylmethyl-amino)-acetic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-4-ethynylpyridin-2-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate","","CC(C)(C)OC(=O)CN(CC1=CC(=CC(=N1)CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C#C)CC(=O)OC(C)(C)C","SDNOYRDLSSQQHR-UHFFFAOYSA-N","369525",NA,"PDBC06994","641380","Present"
-".alpha.-6-Ethyl-Swainsonine","","","","","","","","","","","","","","","","","","","",".alpha.-6-Ethyl-Swainsonine","","CCC1CC(C2C(C(CN2C1)O)O)O","TYUMNOPLNHWOHH-VVULQXIFSA-N","389718",NA,"PDBC06995","686310","Present"
-".alpha.-7-Butyl-8,8a-Diepiswainsonine","","","","","","","","","","","","","","","","","","","",".alpha.-7-Butyl-8,8a-Diepiswainsonine","","CCCCC1CCN2CC(C(C2C1O)O)O","XVUPRKGVSFXXQZ-LDMBFOFVSA-N","389716",NA,"PDBC06996","686308","Present"
-".alpha.-7-Butyl-Swainsonine","","","","","","","","","","","","","","","","","","","",".alpha.-7-Butyl-Swainsonine","","CCCCC1CCN2CC(C(C2C1O)O)O","XVUPRKGVSFXXQZ-LZQZFOIKSA-N","389720",NA,"PDBC06997","686312","Present"
-".alpha.-Boswellic acid acetate","","","","","","","","","","","","","","","","","","","",".alpha.-Boswellic acid acetate","","CC(=O)OC1CCC2(C(C1(C)C(=O)O)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C","IAWGZKRQDHPFCZ-RSFPQAFHSA-N","6711382",NA,"PDBC06998","624806","Present"
-".alpha.-Coralydine","","","","","","","","","","","","","","","","","","","",".alpha.-Coralydine","","CC1C2=CC(=C(C=C2CC3N1CCC4=CC(=C(C=C34)OC)OC)OC)OC","ZAODQVCWAXRSRG-UGSOOPFHSA-N","5380458",NA,"PDBC06999","97599","Present"
-".alpha.-Sarcin","","","","","","","","","","","","","","","","","","","",".alpha.-Sarcin","","","","",NA,"PDBC07000","46401","Present"
-".beta.-6-(2-Benzyloxyethyl)-Swainsonine","","","","","","","","","","","","","","","","","","","",".beta.-6-(2-Benzyloxyethyl)-Swainsonine","","C1C(CN2CC(C(C2C1O)O)O)CCOCC3=CC=CC=C3","QIVNXWLCWJSNQS-MZBWOGCUSA-N","389715",NA,"PDBC07001","686307","Present"
-".beta.-6-Ethyl-Swainsonine","","","","","","","","","","","","","","","","","","","",".beta.-6-Ethyl-Swainsonine","","CCC1CC(C2C(C(CN2C1)O)O)O","TYUMNOPLNHWOHH-VAPHQMJDSA-N","389717",NA,"PDBC07002","686309","Present"
-".beta.-Boswellic acid acetate","","","","","","","","","","","","","","","","","","","",".beta.-Boswellic acid acetate","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C","YJBVHJIKNLBFDX-XSRQPXBWSA-N","6711383",NA,"PDBC07003","624807","Present"
-".beta.-Cyclodextrin","","","","","","","","","","","","","","","","","","","","NSC622493///NSC622494","","","","",NA,"PDBC07004","622493///622494","Present"
-".beta.-Phenylethyl 2,3,4-trihydroxycinnamate","","","","","","","","","","","","","","","","","","","",".beta.-Phenylethyl 2,3,4-trihydroxycinnamate","","C1=CC=C(C=C1)CCOC(=O)C=CC2=C(C(=C(C=C2)O)O)O","FNEKXKSALYUCNS-VQHVLOKHSA-N","6293958",NA,"PDBC07005","666591","Present"
-".beta.-Phenylethyl 2,4,5-trihydroxycinnamate","","","","","","","","","","","","","","","","","","","",".beta.-Phenylethyl 2,4,5-trihydroxycinnamate","","C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2O)O)O","QJEKLVWUQDJCQE-VOTSOKGWSA-N","5933247",NA,"PDBC07006","666592","Present"
-".beta.-Phenylethyl 3,4-difluoroycinnamate","","","","","","","","","","","","","","","","","","","",".beta.-Phenylethyl 3,4-difluoroycinnamate","","C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)F)F","TVFXDGFEJIQXBY-VQHVLOKHSA-N","5468521",NA,"PDBC07007","671186","Present"
-".beta.-methylene sad","","","","","","","","","","","","","","","","","","","",".beta.-methylene sad","","C1=C(N=C([Se]1)C2C(C(C(O2)COP(=O)(CP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)O)C(=O)N","BQVYVGJIUMNETO-UHFFFAOYSA-N","356937",NA,"PDBC07008","621959","Present"
-".cis.-Bis(22,3-dionato)titanium(IV)-hydrochloride","","","","","","","","","","","","","","","","","","","",".cis.-Bis(22,23-dihydrostigmasterolato)bis(1-phenylbutan...","","CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Ti+4]","VFPVIXPCEIBOPO-NNPGGIQQSA-N","369315",NA,"PDBC07009","641073","Present"
-".cis.-Bis(stigmasterolato)bis(1-phenylbutane-1,3-dionato) titanium(IV)-hydrochloride","","","","","","","","","","","","","","","","","","","",".cis.-Bis(stigmasterolato)bis(1-phenylbutane-1,3-dionato...","","CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Ti+4]","IVPIRZPEMYPPDX-KBNIVPJGSA-N","5466685",NA,"PDBC07010","641074","Present"
-".cis.-Cyclohexane-1,N,N',N'-tetrakis(phosphonato methyl)ethylendiamine(2-)-N1,N2]platinum(II)-dihydrate","","","","","","","","","","","","","","","","","","","",".cis.-Cyclohexane-1,2-diamine[N,N,N',N'-tetrakis(phospho...","","C1CCC(C(C1)N)N.C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Pt+2]","OMFBCWSEULSRFN-GCTAOFAESA-F","24202343",NA,"PDBC07011","641068","Present"
-".cis.-Diammine[N,N,N-1,2-diaminopropanetetrakis(methylene phosphonato-N1,N2)-(2-)]platinum(II)","","","","","","","","","","","","","","","","","","","",".cis.-Diammine[N,N,N,N-1,2-diaminopropanetetrakis(methyl...","","CC(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].N.N.[Pt+2]","APYLWABDODPYJA-UHFFFAOYSA-F","24202344",NA,"PDBC07012","641069","Present"
-".mu.-O-[Cl2(NH3)4Ru]2Cl3","","","","","","","","","","","","","","","","","","","",".mu.-O-[Cl2(NH3)4Ru]2Cl3","","","","",NA,"PDBC07013","642082","Present"
-".trans.-Methylindazolium[tetrachlorobis(1-methylindazole...","","","","","","","","","","","","","","","","","","","",".trans.-Methylindazolium[tetrachlorobis(1-methylindazole...","","","","",NA,"PDBC07014","641070","Present"
-"06DO17125N","","","","","","","","","","","","","","","","","","","","06DO17125N","","CN1C2=CC=CC=C2C3=C1C(=O)C4=CC=CC=C4N3","QVDRLIBKQUXZIZ-UHFFFAOYSA-N","337828",NA,"PDBC07015","357574","Present"
-"0740AD","","","","","","","","","","","","","","","","","","","","0740AD","","C1C(=O)NC2=C(C(=O)N1)NC=N2","FXQGXBGGCANVFZ-UHFFFAOYSA-N","362126",NA,"PDBC07016","625659","Present"
-"0EV533MB5M","","","","","","","","","","","","","","","","","","","","0EV533MB5M","","COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)OC","XYHIVQHSXGOAQP-UHFFFAOYSA-N","243760",NA,"PDBC07017","53907","Present"
-"0Y146T7L71","","","","","","","","","","","","","","","","","","","","0Y146T7L71","","C1=CC(=C(C=C1Cl)CC2=CC(=CC(=C2O)CC3=C(C=CC(=C3)Cl)O)Cl)O","FXHQZEJEBWTOJA-UHFFFAOYSA-N","62616",NA,"PDBC07018","47932","Present"
-"1',1'-Dichloro-1,2-ethano-o-carborane","","","","","","","","","","","","","","","","","","","","1',1'-Dichloro-1,2-ethano-o-carborane","","","","",NA,"PDBC07019","676527","Present"
-"1',3',10-Trihydroxy-6'-methoxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone","","","","","","","","","","","","","","","","","","","","1',3',10-Trihydroxy-6'-methoxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone","","CCCCCC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CCC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O","NDQUDQSYCIBFNP-UHFFFAOYSA-N","135489796",NA,"PDBC07020","676767","Present"
-"1',3',9-Trihydroxy-6'-methoxy-3-pentylspiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone","","","","","","","","","","","","","","","","","","","","1',3',9-Trihydroxy-6'-methoxy-3-pentylspiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone","","CCCCCC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O","MSWWWJNQMUSUSF-UHFFFAOYSA-N","135489797",NA,"PDBC07021","676769","Present"
-"1',4-Dibromo-5-methylphenyl)-D-ribofurano se","","","","","","","","","","","","","","","","","","","","1',2'-Dideoxy-b-1'-(2,4-dibromo-5-methylphenyl)-D-ribofu...","","CC1=CC(=C(C=C1Br)Br)C2CC(C(O2)CO)O","KQELCGYUIFYBJY-UHFFFAOYSA-N","24205467",NA,"PDBC07022","735834","Present"
-"1',4-Dichloro-5-methylphenyl)-D-ribofuran ose","","","","","","","","","","","","","","","","","","","","1',2'-Dideoxy-b-1'-(2,4-dichloro-5-methylphenyl)-D-ribof...","","CC1=CC(=C(C=C1Cl)Cl)C2CC(C(O2)CO)O","VGSLYTSEZPNCIF-UHFFFAOYSA-N","24205468",NA,"PDBC07023","735835","Present"
-"1',5',6',7',8',9'-Hexahydro-spiro(cycloheptane-1,2'(4'H)-cyclohepta(d)(1,3)thiazine)-4'-thione","","","","","","","","","","","","","","","","","","","","Spiro[cycloheptane-1,2'(4'H)-cyclohepta[d][1,3]thiazine]...","","C1CCCC2(CC1)NC3=C(CCCCC3)C(=S)S2","DTKGEAFPQADHNL-UHFFFAOYSA-N","3003861",NA,"PDBC07024","173981","Present"
-"1'-(2-Trimethylsilylethoxymethyl)-1-[tri(propan-2-yl)silylmethyl]spiro[cyclohexene-6,3'-indole]-2'-one","","","","","","","","","","","","","","","","","","","","1'-(2-Trimethylsilylethoxymethyl)-1-[tri(propan-2-yl)silylmethyl]spiro[cyclohexene-6,3'-indole]-2'-one","","CC(C)[Si](CC1=CCCCC12C3=CC=CC=C3N(C2=O)COCC[Si](C)(C)C)(C(C)C)C(C)C","OXLVWSUWNROLTL-UHFFFAOYSA-N","395110",NA,"PDBC07025","699400","Present"
-"1'-(4-Methylphenyl)sulfonyl-2'-phenyl-2-[(E)-2-phenylethenyl]spiro[indole-3,3'-pyrrolidine]","","","","","","","","","","","","","","","","","","","","1'-(4-Methylphenyl)sulfonyl-2'-phenyl-2-[(E)-2-phenylethenyl]spiro[indole-3,3'-pyrrolidine]","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(C2C4=CC=CC=C4)C5=CC=CC=C5N=C3C=CC6=CC=CC=C6","HWIKZZXDQOKZKI-DYTRJAOYSA-N","5387833",NA,"PDBC07026","627872","Present"
-"1'-(Dimethoxymethyl)spiro[1,3-dioxepane-2,7'-5,6,8,9-tetrahydrobenzo[8]annulene]-10'-one","","","","","","","","","","","","","","","","","","","","1'-(dimethoxymethyl)spiro[1,3-dioxepane-2,7'-5,6,8,9-tetrahydrobenzo[8]annulene]-10'-one","","COC(C1=CC=CC2=C1C(=O)CCC3(CC2)OCCCCO3)OC","PUYLSYUHADCCHU-UHFFFAOYSA-N","375524",NA,"PDBC07027","655303","Present"
-"1'-(Methyl sulfonyl)-17alpha-D-homo-5-androsteno[17,16-c]pyrazol-3beta-yl acetate","","","","","","","","","","","","","","","","","","","","1'-(methyl sulfonyl)-17.alpha.-D-homo-5-androsteno[17,16...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=CN(N=C5N4)S(=O)(=O)C)C)C","UAZACUOPCXWOCL-PNKHTPRWSA-N","383424",NA,"PDBC07028","671763","Present"
-"1'-Bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,4.03,8.05,7]nonane]","","","","","","","","","","","","","","","","","","","","bromospiro[1,3-dioxolane-2,[?]-[?]]","","C1COC2(O1)C3C4C5C4C2(C6C5C63)Br","PCWSXZKCMFZMDA-UHFFFAOYSA-N","371794",NA,"PDBC07029","646238","Present"
-"1'-Hydroxy-2'-(3,4,5-trimethoxybenzoyl)-1'-(3,4,5-trimethoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","","","","","","","","","","","","","","","","","","","1'-hydroxy-2'-(3,4,5-trimethoxybenzoyl)-1'-(3,4,5-trimethoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","COC1=CC(=CC(=C1OC)OC)C(=O)C2CC3(CCC2(C4=CC(=C(C(=C4)OC)OC)OC)O)CC(=O)NC5=CC=CC=C5C3=O","ZLDVRLQYZOGQBP-UHFFFAOYSA-N","388192",NA,"PDBC07030","682760","Present"
-"1'-Hydroxy-2'-(4-methoxybenzoyl)-1'-(4-methoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","","","","","","","","","","","","","","","","","","","1'-hydroxy-2'-(4-methoxybenzoyl)-1'-(4-methoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","COC1=CC=C(C=C1)C(=O)C2CC3(CCC2(C4=CC=C(C=C4)OC)O)CC(=O)NC5=CC=CC=C5C3=O","AKNPFHIACHOPAR-UHFFFAOYSA-N","388190",NA,"PDBC07031","682758","Present"
-"1'-Hydroxy-2'-(naphthalene-1-carbonyl)-1'-naphthalen-1-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","","","","","","","","","","","","","","","","","","","1'-Hydroxy-2'-(naphthalene-1-carbonyl)-1'-naphthalen-1-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CC5=CC=CC=C54)(C6=CC=CC7=CC=CC=C76)O","MSLGCMQUDIDOPB-UHFFFAOYSA-N","388195",NA,"PDBC07032","682763","Present"
-"1'-Hydroxy-2'-(naphthalene-2-carbonyl)-1'-naphthalen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","","","","","","","","","","","","","","","","","","","1'-Hydroxy-2'-(naphthalene-2-carbonyl)-1'-naphthalen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC5=CC=CC=C5C=C4)(C6=CC7=CC=CC=C7C=C6)O","TZDVLBTZGPXTJD-UHFFFAOYSA-N","388194",NA,"PDBC07033","682762","Present"
-"1'-Hydroxy-2'-(thiophene-2-carbonyl)-1'-thiophen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","","","","","","","","","","","","","","","","","","","1'-Hydroxy-2'-(thiophene-2-carbonyl)-1'-thiophen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CS4)(C5=CC=CS5)O","CQMGSRFJXIRQCZ-UHFFFAOYSA-N","388189",NA,"PDBC07034","682757","Present"
-"1'-Methyl-1-triisopropylsilyloxy-spiro[cycloheptene-7,3'-indoline]-2'-one","","","","","","","","","","","","","","","","","","","","1'-Methyl-1-tri(propan-2-yl)silyloxyspiro[cycloheptene-7,3'-indole]-2'-one","","CC(C)[Si](C(C)C)(C(C)C)OC1=CCCCCC12C3=CC=CC=C3N(C2=O)C","IJOMWTSVBNBDPQ-UHFFFAOYSA-N","395117",NA,"PDBC07035","699407","Present"
-"1'-Phenylspiro[1,3-dioxolane-2,8'-5,5a,6,7,9,9a,10,10a-octahydro-1H-[1,3]oxazolo[3,4-b]isoquinoline]-3'-one","","","","","","","","","","","","","","","","","","","","1'-Phenylspiro[1,3-dioxolane-2,8'-5,5a,6,7,9,9a,10,10a-octahydro-1H-[1,3]oxazolo[3,4-b]isoquinoline]-3'-one","","C1CC2(CC3C1CN4C(C3)C(OC4=O)C5=CC=CC=C5)OCCO2","BTLYMHHVIZBAMH-UHFFFAOYSA-N","359586",NA,"PDBC07036","620580","Present"
-"1'-[4-(4-Fluorophenyl)-4-oxobutyl]-6-methoxyspiro[1,2,4-benzotriazine-3(4H),4'-piperidine]","","","","","","","","","","","","","","","","","","","","1-(4-Fluorophenyl)-4-(6-methoxyspiro[4H-1,2,4-benzotriazine-3,4'-piperidine]-1'-yl)butan-1-one","","COC1=CC2=C(C=C1)N=NC3(N2)CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F","WKRHEYPXRKTQRA-UHFFFAOYSA-N","135426597",NA,"PDBC07037","703163","Present"
-"1'-[6-(Quinazoline2,4-dione)]-2'-deoxy-beta-D-ribofuranose","","","","","","","","","","","","","","","","","","","","1'-[6-(quinazoline2,4-dione)]-2'-deoxy-.beta.-D-ribofura...","","C1C(C(OC1C2=CC3=C(C=C2)NC(=O)NC3=O)CO)O","SGUCPRINDGTIGI-UHFFFAOYSA-N","24205392",NA,"PDBC07038","735360","Present"
-"1'-acetoxychavicol acetate","","","","","","","","","","","","","","","","","","","","1'-acetoxychavicol acetate","","CC(=O)OC1=CC=C(C=C1)C(C=C)OC(=O)C","JAMQIUWGGBSIKZ-UHFFFAOYSA-N","400072",NA,"PDBC07039","711510","Present"
-"1'-beta-(4-Nitro-5-amino-1-imidazolyl)-5'-D-ribosyl 5-nitrofurfuryl N-methyl-N-(4-chorobutyl) phosphoramidate","","","","","","","","","","","","","","","","","","","","1'-beta-(4-nitro-5-amino-1-imidazolyl)-5'-D-ribosyl 5-ni...","","CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=NC(=C2N)[N+](=O)[O-])O)O)OCC3=CC=C(O3)[N+](=O)[O-]","BFYXOALVCUWMQB-UHFFFAOYSA-N","24203651",NA,"PDBC07040","729025","Present"
-"1'-beta-(5-Ethynyl-4-carboxamido-1-imidazolyl)-D-ribosyl 5-nitrofuryl N-methyl-N-(4-chlorobutyl) phosphoramidate","","","","","","","","","","","","","","","","","","","","1'-beta-(5-ethynyl-4-carboxamido-1-imidazolyl)-D-ribosyl...","","CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=NC(=C2C#C)C(=O)N)O)O)OCC3=CC=C(O3)[N+](=O)[O-]","ADAUASBJUPIOLB-UHFFFAOYSA-N","24204578",NA,"PDBC07041","732226","Present"
-"1'-beta-6-[2-Amino-(8-methyl-4-oxo-1,4-dihydroquinazolin-2-yl)]-2'-deoxy-D-ribofuranose","","","","","","","","","","","","","","","","","","","","1'-.beta.-6-[2-amino-(8-methyl-4-oxo-1,4-dihydroquinazol...","","CC1=CC(=CC2=C1N=C(NC2=O)N)C3CC(C(O3)CO)O","GCPUJIHIPYIENS-UHFFFAOYSA-N","135580411",NA,"PDBC07042","735361","Present"
-"1'-beta-7-(1H-Benzoquinazoline-2,4-dione)-2'-deoxy-D-ribofuranose","","","","","","","","","","","","","","","","","","","","1'-.beta.-7-(1H-benzoquinazoline-2,4-dione)-2'-deoxy-D-r...","","C1C(C(OC1C2=CC3=CC4=C(C=C3C=C2)NC(=O)NC4=O)CO)O","YIMUZUWFACTGKI-UHFFFAOYSA-N","24205394",NA,"PDBC07043","735362","Present"
-"1'-beta-7-(2-Amino-1H-benzoquinazolin-4-one)-2'-deoxy-D-ribofuranose","","","","","","","","","","","","","","","","","","","","1'-.beta.-7-(2-amino-1H-benzoquinazolin-4-one)-2'-deoxy-...","","C1C(C(OC1C2=CC3=CC4=C(C=C3C=C2)N=C(NC4=O)N)CO)O","BVFKOMJITOQCOQ-UHFFFAOYSA-N","135580412",NA,"PDBC07044","735363","Present"
-"1(2-Naphthyl)-3-(4-methylphenyl)imino-1-propenyl-1-(4-methyl phenyl)amine hydrochloride","","","","","","","","","","","","","","","","","","","","1(2-naphthyl)-3-(4-methylphenyl)imino-1-propenyl-1-(4-me...","","CC1=CC=C(C=C1)NC(=CC=NC2=CC=C(C=C2)C)C3=CC4=CC=CC=C4C=C3.Cl","MTFCGBIEHOYXRI-VZLLZMPBSA-N","5473033",NA,"PDBC07045","723517","Present"
-"1(2H)-Phthalazinone, 2-[4,5-dihydro-3-(4-nitrophenyl)-5-oxo-1H-pyrazol-4-yl]-4-phenyl-","","","","","","","","","","","","","","","","","","","","1(2H)-Phthalazinone, 2-[4,5-dihydro-3-(4-nitrophenyl)-5-oxo-1H-pyrazol-4-yl]-4-phenyl-","","C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4C(=NNC4=O)C5=CC=C(C=C5)[N+](=O)[O-]","XUWPFLFLMRZOLL-UHFFFAOYSA-N","369070",NA,"PDBC07046","640627","Present"
-"1(2H)-Phthalazinone, 4-phenyl-2-[(1,2,5,6-tetrahydro-5-oxo-1,2,4-triazin-3-yl)methyl]-","","","","","","","","","","","","","","","","","","","","1(2H)-Phthalazinone, 4-phenyl-2-[(1,2,5,6-tetrahydro-5-oxo-1,2,4-triazin-3-yl)methyl]-","","C1C(=O)NC(=NN1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4","PFBUVHUWQTUZRU-UHFFFAOYSA-N","135503323",NA,"PDBC07047","639914","Present"
-"1(2H)-Phthalazinone, 4-phenyl-2-[(2,5,6,7-tetrahydro-5-imino-7-oxo-1H-1,2,4,6-tetrazepin-3-yl)methyl]-","","","","","","","","","","","","","","","","","","","","2-[(5-Imino-7-oxo-1,2-dihydro-1,2,4,6-tetrazepin-3-yl)methyl]-4-phenyl-phthalazin-1-one","","C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=NNC(=O)NC(=N4)N","ADXBCRQKFIHUKR-UHFFFAOYSA-N","135438651",NA,"PDBC07048","639915","Present"
-"1(2H)-Pyrimidinepropanoic acid,4-dihydro-2,4-dioxo-, ester with omega-methyl-alpha-hydroxypoly (oxy-1,2-ethanediyl)","","","","","","","","","","","","","","","","","","","","Poly(oxy-1,2-ethanediyl), .alpha.-methyl-.omega.-[[3- (5...","","COCCOC(=O)CCN1C=C(C(=O)NC1=O)F","LBLBUPMUZXNKSA-UHFFFAOYSA-N","342397",NA,"PDBC07049","381811","Present"
-"1(2H)-Quinolineethanol, hydrochloride","","","","","","","","","","","","","","","","","","","","1(2H)-Quinolineethanol, trans-octahydro-.alpha.-(9-phena...","","C1CCC2C(C1)CCCN2CC(C3=CC4=CC=CC=C4C5=CC=CC=C53)O.Cl","WGLDPHCVICKPCE-UHFFFAOYSA-N","24200896",NA,"PDBC07050","402323","Present"
-"1(4H)-Dibenzofuranone, 2,6-diacetyl-9-(acetyloxy)-4a,9b-dihydro-3,7-dihydroxy-4a-methoxy-8,9b-dimethyl-","","","","","","","","","","","","","","","","","","","","1(4H)-Dibenzofuranone, 2,6-diacetyl-9-(acetyloxy)-4a,9b-...","","CC1=C(C(=C2C(=C1OC(=O)C)C3(C(=C(C(=O)CC3(O2)OC)C(=O)C)O)C)C(=O)C)O","CWWAWNMPYSUDKT-UHFFFAOYSA-N","323098",NA,"PDBC07051","281904","Present"
-"1(4H)-Naphthalenone, monohydrochloride","","","","","","","","","","","","","","","","","","","","ANQI","","C1=CC=C2C(=C1)C(=N)C=C(C2=O)N.Cl","GBXFEIWAUUUQFE-UHFFFAOYSA-N","458959",NA,"PDBC07052","15013","Present"
-"1(6H)-Pyridazinecarboximidamide, 4,5-dichloro-6-oxo-","","","","","","","","","","","","","","","","","","","","4,5-dichloro-6-oxo-pyridazine-1-carboxamidine","","C1=NN(C(=O)C(=C1Cl)Cl)C(=N)N","YAGCOWBYHDUDEG-UHFFFAOYSA-N","362217",NA,"PDBC07053","625820","Present"
-"1, (cis)-, Platinum sulfate complex","","","","","","","","","","","","","","","","","","","","pt 195","","C1CCC(C(C1)[NH-])[NH-].OS(=O)(=O)O.[Pt+2]","IGQTWWNTYQYGTM-UHFFFAOYSA-N","429187",NA,"PDBC07054","250427","Present"
-"1, 1'-Decyl-, monohydrochloride","","","","","","","","","","","","","","","","","","","","1,4'-Bipiperidine, 1'-decyl-, monohydrochloride","","CCCCCCCCCCN1CCC(CC1)N2CCCCC2.Cl","DRWIQEOKDNJQSU-UHFFFAOYSA-N","21144609",NA,"PDBC07055","194126","Present"
-"1, 1,4-Bis(2-bromoethyl)-, salt with [R-(R*,R*)]-2,3-dihydroxybutanedioic acid (1:1)","","","","","","","","","","","","","","","","","","","","1,4-Diazoniabicyclo[2.2.1]heptane, 1,4-bis(2-bromoethyl)...","","C1C[N+]2(CC[N+]1(C2)CCBr)CCBr.C(C(C(=O)[O-])O)(C(=O)[O-])O","BAZHURLZRXXUFA-LREBCSMRSA-L","24198198",NA,"PDBC07056","289899","Present"
-"1, 1-Bromo-1,2,4-trichloro-3-nitro-4-[(phenylmethyl)thio]-","","","","","","","","","","","","","","","","","","","","1,3-Butadiene, 1-bromo-1,2,4-trichloro-3-nitro- 4-[(phen...","","C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])Cl","PIJDKZLUMSPLSQ-GOOGBFEESA-N","54600890",NA,"PDBC07057","678032","Present"
-"1, 2,3-Dihydroxy-, dimethyl ester, disodium salt","","","","","","","","","","","","","","","","","","","","1,4-Cyclopentadienedicarboxylic acid, 2,3-dihydroxy-, di...","","COC(=O)C1=C(C(=C(C1)C(=O)OC)O)O.[Na+]","UVSPIAHIQSVADB-UHFFFAOYSA-N","54723281",NA,"PDBC07058","632938","Present"
-"1, 2-(Bromodiphenylstannyl)-N,N,N',N'-tetramethyl-","","","","","","","","","","","","","","","","","","","","1,3-Benzenedimethanamine, 2-(bromodiphenylstannyl)-N,N,N...","","CN(C)CC1=C(C(=CC=C1)CN(C)C)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Br","XZHRLZUZYYIUIY-UHFFFAOYSA-M","325476",NA,"PDBC07059","294244","Present"
-"1, 2-Amino-, platinum complex","","","","","","","","","","","","","","","","","","","","1,2-cyclohexanediamine, platinum complex","","C1CCC(C(C1)N)N.C(C(=O)[O-])(C(=O)[O-])N.[Pt+4]","PJTUCKWWEKSCSB-UHFFFAOYSA-L","24201925",NA,"PDBC07060","606092","Present"
-"1, 2-Chloro-7-[(1-oxopentyl)amino]-, methyl ester","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridine-3-carboxylic acid, 2-chloro-7-[(1-oxop...","","CCCCC(=O)NC1=NC2=NC(=C(C=C2C=C1)C(=O)OC)Cl","JUQXKZLRLDKDRU-UHFFFAOYSA-N","395721",NA,"PDBC07061","700520","Present"
-"1, 2-Chloro-8-hydroxy-6-methoxy-7-methyl-","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 2-chloro-8-hydroxy-6-methoxy-7-met...","","CC1=C(C=C2C(=O)C=C(C(=O)C2=C1O)Cl)OC","WQOFPCAPVZPVEL-UHFFFAOYSA-N","359532",NA,"PDBC07062","620515","Present"
-"1, 2-[(2-Fluorophenyl)methylene]-1-phenyl-, (2Z)-","","","","","","","","","","","","","","","","","","","","1,3-Butanedione, 2-[(2-fluorophenyl)methylene]-1-phenyl-...","","CC(=O)C(=CC1=CC=CC=C1F)C(=O)C2=CC=CC=C2","IBJJYSODAGTBGJ-PTNGSMBKSA-N","5388571",NA,"PDBC07063","636961","Present"
-"1, 3-Amino-, hydrochloride (1alpha, 2alpha, 3beta)","","","","","","","","","","","","","","","","","","","","1,2-Cyclohexanediol, 3-amino-, hydrochloride (1.alpha., ...","","C1CC(C(C(C1)O)O)N.Cl","MIDIYKXNTKNGBP-PWYMXSNASA-N","355713",NA,"PDBC07064","609819","Present"
-"1, 4,4'-[Carbonylbis[imino (1-methyl-1H-pyrrole-4,2-diyl)carbonylimino(1-methyl-1H-pyrrole-4,2-diyl)carbonylimino]]bis-, tetrasodium salt","","","","","","","","","","","","","","","","","","","","1,7-Naphthalenedisulfonic acid, 4,4'-[carbonylbis[imino ...","","CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C.[Na+]","JQOGRJZGWNMYCR-UHFFFAOYSA-N","21873164",NA,"PDBC07065","651016","Present"
-"1, 4-Bromo-1,1,2-trichloro-3-nitro-4-[(phenylmethyl)thio]-","","","","","","","","","","","","","","","","","","","","1,3-Butadiene, 4-bromo-1,1,2-trichloro-3-nitro- 4-[(phen...","","C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])Br","SQFBMGHDLVIEFP-KTKRTIGZSA-N","13635959",NA,"PDBC07066","678035","Present"
-"1, 6-Hydroxy-5-[[4-[[[4-[[4-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]phenyl]thio] phenyl]amino]carbonyl]phenyl]azo]-, tetrasodium salt","","","","","","","","","","","","","","","","","","","","1,3-Naphthalenedisulfonic acid, 6-hydroxy-5-[[4-[[[4-[[4...","","C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)N=NC4=C5C=CC(=CC5=CC(=C4O)S(=O)(=O)O)S(=O)(=O)O)N=NC6=C(C=CC7=C6C=C(C=C7S(=O)(=O)O)S(=O)(=O)O)O","XDVFFTVEWYQOLZ-UHFFFAOYSA-N","416120",NA,"PDBC07067","76027","Present"
-"1, 7-(Benzoyloxy)-5-methoxy-","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 7-(benzoyloxy)-5-methoxy-","","COC1=CC(=CC2=C1C(=O)C=CC2=O)OC(=O)C3=CC=CC=C3","OCYIBZJWHOGRGO-UHFFFAOYSA-N","359531",NA,"PDBC07068","620514","Present"
-"1, Acanthifolicin deriv.","","","","","","","","","","","","","","","","","","","","Okadaic acid","","CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O","QNDVLZJODHBUFM-IHRYTRHCSA-N","5468826",NA,"PDBC07069","677083","Present"
-"1, Hydrochloride, hydrate","","","","","","","","","","","","","","","","","","","","1,4-Benzoquinone-2-methoxy-5-(4-methyl-1-piperazinyl) me...","","CCCCCCC=CCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)CN2CCN(CC2)C.Cl","VLKPJWYFDCWKGL-KVVVOXFISA-N","5388009",NA,"PDBC07070","630732","Present"
-"1, N'-(3-Aminopropyl)-N-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)-N'-methyl-, monohydrochloride","","","","","","","","","","","","","","","","","","","","1,3-Propanediamine, N'-(3-aminopropyl)-N-(9-methoxy- 5,1...","","CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCN.Cl","OUWOLWQFZRNSPQ-UHFFFAOYSA-N","393665",NA,"PDBC07071","695934","Present"
-"1, N,N'-Bis(2-cyclohexylethyl)-N,N'-dimethyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1,3-Propanediamine, N,N'-bis(2-cyclohexylethyl)-N,N'-dim...","","CN(CCCN(C)CCC1CCCCC1)CCC2CCCCC2.Cl","NOVFQUCSBVOZMJ-UHFFFAOYSA-N","24200736",NA,"PDBC07072","400806","Present"
-"1, N,N'-Bis(3-aminopropyl)-N,N'-bis(3-phenylpropyl)-, tetrakis(trifluoroacetate)","","","","","","","","","","","","","","","","","","","","1,4-Butanediamine, N,N'-bis(3-aminopropyl)- N,N'-bis(3-p...","","C1=CC=C(C=C1)CCCN(CCCCN(CCCC2=CC=CC=C2)CCCN)CCCN.C(=O)(C(F)(F)F)O","IKSSHTWHTJVXPY-UHFFFAOYSA-N","389636",NA,"PDBC07073","685980","Present"
-"1, N,N'-Bis[2-(dimethylamino) ethyl]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1,6-Phenazinedicarboxamide, N,N'-bis[2-(dimethylamino) e...","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)NCCN(C)C.Cl","ZPOTWELDSISZCG-UHFFFAOYSA-N","386519",NA,"PDBC07074","678918","Present"
-"1, N,N'-Bis[2-(dimethylamino) ethyl]-, trihydrochloride","","","","","","","","","","","","","","","","","","","","1,4-Acridinedicarboxamide, N,N'-bis[2-(dimethylamino) et...","","CN(C)CCNC(=O)C1=CC=C(C2=NC3=CC=CC=C3C=C12)C(=O)NCCN(C)C.Cl","XSYIOQNKAJELJR-UHFFFAOYSA-N","358138",NA,"PDBC07075","617969","Present"
-"1, N,N'-Bis[5-[[4-[[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-2-yl] amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1,3-Benzenedicarboxamide, N,N'-bis[5-[[4-[[[(3-amino- 3-...","","CN1C=C(C=C1NC(=O)C2=[N+](C=C(C2)NC(=O)C3=CC(=CC=C3)C(=O)NC4=CC(=[N+](C4)C)C(=O)NC5=CC(=CN5C)C(=O)NCCC(=N)N)C)C(=O)NCCC(=N)N.Cl","NIMSGNHMAVDLPY-UHFFFAOYSA-P","366226",NA,"PDBC07076","634555","Present"
-"1, N,N'-Bis[p-[bis(2-chloroethyl)amino]benzyl]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1,3-Propanediamine, N,N'-bis[p-[bis(2-chloroethyl)amino]...","","C1=CC(=CC=C1CNCCCNCC2=CC=C(C=C2)N(CCCl)CCCl)N(CCCl)CCCl.Cl","BJPYEHGIXHYUKX-UHFFFAOYSA-N","24190229",NA,"PDBC07077","103508","Present"
-"1, N-(2-Chloroethyl)-N'-(2-methoxy-9-acridinyl)-N-methyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1,3-Propanediamine, N-(2-chloroethyl)-N'-(2-methoxy-9- a...","","CN(CCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","LGUSPCRJHJGPTQ-UHFFFAOYSA-N","362517",NA,"PDBC07078","626540","Present"
-"1, N-9-Acridinyl-, monohydrochloride","","","","","","","","","","","","","","","","","","","","1,4-Benzenediamine, N-9-acridinyl-, monohydrochloride","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)N.Cl","VPURWASZOVQHLK-UHFFFAOYSA-N","24194215",NA,"PDBC07079","165707","Present"
-"1, N-[(2-Naphthalenyl)methyl]-N'-[[3-[(2-naphthalenyl)methyl]amino]propyl]-, tris(trifluoroacetate)","","","","","","","","","","","","","","","","","","","","1,4-Butanediamine, N-[(2-naphthalenyl)methyl]- N'-[[3-[(...","","C1=CC=C2C=C(C=CC2=C1)CNCCCCNCCCNCC3=CC4=CC=CC=C4C=C3.C(=O)(C(F)(F)F)O","JXJKPHZVUODRJE-UHFFFAOYSA-N","391185",NA,"PDBC07080","690021","Present"
-"1, N4-(3,6-Dichloro-9-acridinyl)-N1,N1-diethyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1,4-Pentanediamine, N4-(3,6-dichloro-9-acridinyl)-N1,N1-...","","CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC3=C1C=CC(=C3)Cl)Cl.Cl","XEZJIVAJQHPYRS-UHFFFAOYSA-N","54610486",NA,"PDBC07081","176480","Present"
-"1,1'(3H,3'H)-Spirobi[2,1-benzoxasilole], 3,3,3',3'- tetr...","","","","","","","","","","","","","","","","","","","","1,1'(3H,3'H)-Spirobi[2,1-benzoxasilole], 3,3,3',3'- tetr...","","","","",NA,"PDBC07082","618639","Present"
-"1,1',5,5',6,6',7,7'-Octamethyl-3,3'-spirobi[2,4-dioxa-3lambda4-tellurabicyclo[3.2.0]heptane]-6,6',7,7'-tetrol","","","","","","","","","","","","","","","","","","","","1,1',5,5',6,6',7,7'-Octamethyl-3,3'-spirobi[2,4-dioxa-3lambda4-tellurabicyclo[3.2.0]heptane]-6,6',7,7'-tetrol","","CC1(C(C2(C1(O[Te]3(O2)OC4(C(C(C4(O3)C)(C)O)(C)O)C)C)C)(C)O)O","MNYQJCSAHNJDKM-UHFFFAOYSA-N","358628",NA,"PDBC07083","618636","Present"
-"1,1'-(1,4-Dihydroquinoxaline-2,3-diylidene)diacetone","","","","","","","","","","","","","","","","","","","","BIM-0020073.P001","","CC(=CC1=NC2=CC=CC=C2N=C1C=C(C)O)O","JUSXQMWQMGGLHS-XOHWUJONSA-N","135504201",NA,"PDBC07084","707056","Present"
-"1,1'-(2,6-Pyridinediyl)bis(ethanone 4-phenyl thiosemicarbazone)","","","","","","","","","","","","","","","","","","","","1-[(Z)-1-[6-[(Z)-C-Methyl-N-(phenylcarbamothioylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-phenylthiourea","","CC(=NNC(=S)NC1=CC=CC=C1)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=CC=C3)C","MZQGSCORBLNOGN-KYGWZODQSA-N","6374206",NA,"PDBC07085","668482","Present"
-"1,1'-(4-Methyl-4-azaheptanedioyl) bis[3-(chloromethyl)-6-nitroindoline] hydrochloride","","","","","","","","","","","","","","","","","","","","1,1'-(4-Methyl-4-azaheptanedioyl) bis[3-(chloromethyl)-6...","","CN(CCC(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])CCl)CCC(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl.Cl","RPQNWMOEUKZBJL-UHFFFAOYSA-N","393536",NA,"PDBC07086","695591","Present"
-"1,1'-(Bromomethylene)bis(4-nitrobenzene)","","","","","","","","","","","","","","","","","","","","1-[Bromo-(4-nitrophenyl)methyl]-4-nitro-benzene","","C1=CC(=CC=C1C(C2=CC=C(C=C2)[N+](=O)[O-])Br)[N+](=O)[O-]","DSTCKYXFMAENQF-UHFFFAOYSA-N","220844",NA,"PDBC07087","4271","Present"
-"1,1'-(Buta-1,3-diene-2,3-diyldisulfonyl)bis(2,4-dinitrobenzene)","","","","","","","","","","","","","","","","","","","","1-[2-(2,4-Dinitrophenyl)sulfonyl-1-methylene-allyl]sulfonyl-2,4-dinitro-benzene","","C=C(C(=C)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","BBSBDQDGVXWKOT-UHFFFAOYSA-N","361138",NA,"PDBC07088","623970","Present"
-"1,1'-(Ethane-1,2-diyl)di(naphthalen-2-ol)","","","","","","","","","","","","","","","","","","","","1,1'-(Ethane-1,2-diyl)di(naphthalen-2-ol)","","C1=CC=C2C(=C1)C=CC(=C2CCC3=C(C=CC4=CC=CC=C43)O)O","MEMAVMFMCJQZOR-UHFFFAOYSA-N","344345",NA,"PDBC07089","401207","Present"
-"1,1'-(Heptanedioyl)bis[3-(chloromethyl)-6-nitroindoline]","","","","","","","","","","","","","","","","","","","","1,1'-(Heptanedioyl)bis[3-(chloromethyl)-6-nitroindoline]","","C1C(C2=C(N1C(=O)CCCCCC(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl)C=C(C=C2)[N+](=O)[O-])CCl","ARBYAROFENWSID-UHFFFAOYSA-N","390668",NA,"PDBC07090","688299","Present"
-"1,1'-(Hexane-1,6-diyl)bis[3,3-dimethyl-1H-indole (3H)-one]","","","","","","","","","","","","","","","","","","","","1,1'-Hexane-1,6-diylbis(3,3-dimethyl-1,3-dihydro-2H-indol-2-one)","","CC1(C2=CC=CC=C2N(C1=O)CCCCCCN3C4=CC=CC=C4C(C3=O)(C)C)C","XIASOSYQSXUUBP-UHFFFAOYSA-N","370576",NA,"PDBC07091","643829","Present"
-"1,1'-(Pentanedioyl)bis[3-(chloromethyl)-6-nitroindoline]","","","","","","","","","","","","","","","","","","","","1,1'-(Pentanedioyl)bis[3-(chloromethyl)-6-nitroindoline]","","C1C(C2=C(N1C(=O)CCCC(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl)C=C(C=C2)[N+](=O)[O-])CCl","YKDRKLIJZUTAAQ-UHFFFAOYSA-N","390669",NA,"PDBC07092","688300","Present"
-"1,1'-(Pyridine-2,6-diyl)bis(1H-pyrazole-3-carboxylic acid)","","","","","","","","","","","","","","","","","","","","1,1'-Pyridine-2,6-diylbis(1H-pyrazole-3-carboxylic acid)","","C1=CC(=NC(=C1)N2C=CC(=N2)C(=O)O)N3C=CC(=N3)C(=O)O","USCCKQHTFFXNJD-UHFFFAOYSA-N","383331",NA,"PDBC07093","671446","Present"
-"1,1'-(Pyridine-2,6-diylbiscarbonyl)diurea","","","","","","","","","","","","","","","","","","","","2-N,6-N-Dicarbamoylpyridine-2,6-dicarboxamide","","C1=CC(=NC(=C1)C(=O)NC(=O)N)C(=O)NC(=O)N","QFVPYSKMOJLHHH-UHFFFAOYSA-N","396441",NA,"PDBC07094","702414","Present"
-"1,1'-(p-Xylylene)bis(tetrahydrothiophene-1-ium)","","","","","","","","","","","","","","","","","","","","1,1'-(p-Xylylene)bis(tetrahydrothiophene-1-ium)","","C1CC[S+](C1)CC2=CC=C(C=C2)C[S+]3CCCC3.[Cl-]","JNCRYQGXURXNRC-UHFFFAOYSA-M","378315",NA,"PDBC07095","660327","Present"
-"1,1'-Binaphthalene, 7,7'-dibromo-3,3',4,4'-tetramethoxy-","","","","","","","","","","","","","","","","","","","","6-Bromo-4-(7-bromo-3,4-dimethoxy-1-naphthyl)-1,2-dimethoxy-naphthalene","","COC1=C(C2=C(C=C(C=C2)Br)C(=C1)C3=CC(=C(C4=C3C=C(C=C4)Br)OC)OC)OC","DNBAPMDFBZFAQC-UHFFFAOYSA-N","380864",NA,"PDBC07096","666604","Present"
-"1,1'-Bis(methylsulfonyl)-6,6',7,7'-tetrahydro-3,3'-bi[5H-2-pyrindine]","","","","","","","","","","","","","","","","","","","","1-Methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine","","CS(=O)(=O)C1=C2CCCC2=CC(=N1)C3=NC(=C4CCCC4=C3)S(=O)(=O)C","HGPXCWHRGKNNCK-UHFFFAOYSA-N","397520",NA,"PDBC07097","705818","Present"
-"1,1'-Diethyl-2,2'-cyanine chloride","","","","","","","","","","","","","","","","","","","","Diethylcyanine","","CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[Cl-]","MHQOURYMHSSLDM-UHFFFAOYSA-M","5717105",NA,"PDBC07098","97374","Present"
-"1,1'-Ethylidenebis(2,5,11-triaza-11-hydroxydodecane-1,6,10-trione)","","","","","","","","","","","","","","","","","","","","N'-Hydroxy-N-[2-[[3-[2-[[5-[hydroxy(methyl)amino]-5-oxopentanoyl]amino]ethylamino]-2-methyl-3-oxopropanoyl]amino]ethyl]-N'-methylpentanediamide","","CC(C(=O)NCCNC(=O)CCCC(=O)N(C)O)C(=O)NCCNC(=O)CCCC(=O)N(C)O","SAMNZTSYBSAZFU-UHFFFAOYSA-N","396681",NA,"PDBC07099","703195","Present"
-"1,1'-Methanediylbis(3-methylurea)","","","","","","","","","","","","","","","","","","","","A038","","CNC(=O)NCNC(=O)NC","ONXPTGQTDMOWEM-UHFFFAOYSA-N","370398",NA,"PDBC07100","643495","Present"
-"1,1'-Sulfonylbis(3-isothiocyanatobenzene)","","","","","","","","","","","","","","","","","","","","Isothiocyanic acid, sulfonyldi-m-phenylene ester","","C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N=C=S)N=C=S","ATUCPLJJYLRXIH-UHFFFAOYSA-N","284731",NA,"PDBC07101","140911","Present"
-"1,1'-Trimethylenebis(3-p-chlorophenylsulfonyl-2-methylisothiourea","","","","","","","","","","","","","","","","","","","","1,1'-Trimethylenebis(3-p-chlorophenylsulfonyl-2-methylis...","","CSC(=NCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)SC)NS(=O)(=O)C2=CC=C(C=C2)Cl","NIDJUXFPHBXTOF-UHFFFAOYSA-N","382843",NA,"PDBC07102","670673","Present"
-"1,1'-[(2,5-Diphenylfuran-3,4-diyl)bis(methylene)]dipiperidine--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","1-[[2,5-Diphenyl-4-(piperidin-1-ylmethyl)furan-3-yl]methyl]piperidine;hydrochloride","","C1CCN(CC1)CC2=C(OC(=C2CN3CCCCC3)C4=CC=CC=C4)C5=CC=CC=C5.Cl","QNDPSKWGLTYUEX-UHFFFAOYSA-N","24181275",NA,"PDBC07103","7473","Present"
-"1,1'-[Trimethylenebis(nitrilomethylidyne)]bis(2-naphthol)","","","","","","","","","","","","","","","","","","","","1-[3-[(2-Hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol","","C1=CC=C2C(=C1)C=CC(=C2C=NCCCN=CC3=C(C=CC4=CC=CC=C43)O)O","YAZRUOQJRXLLDL-UHFFFAOYSA-N","5254937",NA,"PDBC07104","725604","Present"
-"1,1,1,10,10,10-Hexafluoro-2,9-dihydroxy-2,9-bis(trifluoromethyl)-4,7-decanedione","","","","","","","","","","","","","","","","","","","","1,1,1,10,10,10-Hexafluoro-2,9-dihydroxy-2,9-bis(trifluoromethyl)-4,7-decanedione","","C(CC(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O","NFXPASFVCZCJAG-UHFFFAOYSA-N","379574",NA,"PDBC07105","664262","Present"
-"1,1,1,3,3,3-Hexafluoro-2-(2-quinolinylmethyl)-2-propanol","","","","","","","","","","","","","","","","","","","","1,1,1,3,3,3-Hexafluoro-2-(2-quinolinylmethyl)-2-propanol","","C1=CC=C2C(=C1)C=CC(=N2)CC(C(F)(F)F)(C(F)(F)F)O","KLPMNEJGWLZZOC-UHFFFAOYSA-N","377662",NA,"PDBC07106","659243","Present"
-"1,1,1,3,3,3-Hexafluoro-2-(3-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)phenyl)-2-propanol","","","","","","","","","","","","","","","","","","","","1,1,1,3,3,3-Hexafluoro-2-(3-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)phenyl)-2-propanol","","COC(C1=CC=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)C(F)(F)F","CDLBDKZLZXCQKZ-UHFFFAOYSA-N","358620",NA,"PDBC07107","618628","Present"
-"1,1,1,3,3,3-Hexafluoro-2-[2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydro-3H-pyridazin-3-yl]propan-2-ol","","","","","","","","","","","","","","","","","","","","1,1,1,3,3,3-Hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydro-3H-pyridazin-3-yl]propan-2-ol","","C1CC(N(N=C1)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","YUMNEBSXOBFUME-UHFFFAOYSA-N","377649",NA,"PDBC07108","659229","Present"
-"1,1,1,3,3,3-Hexafluoro-2-[6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]pyrimidin-4-yl]propan-2-ol","","","","","","","","","","","","","","","","","","","","1,1,1,3,3,3-Hexafluoro-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-4-yl]propan-2-ol","","C1=C(N=CN=C1C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","ODRVSUSJFCGJMW-UHFFFAOYSA-N","377672",NA,"PDBC07109","659252","Present"
-"1,1,1,3,3,3-Hexafluoro-2-[[2-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-pyridyl]methyl]propan-2-ol","","","","","","","","","","","","","","","","","","","","1,1,1,3,3,3-Hexafluoro-2-[[2-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-4-yl]methyl]propan-2-ol","","CC1=CC(=CC(=N1)CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O","UWHDUVSLDCSYEU-UHFFFAOYSA-N","379450",NA,"PDBC07110","663999","Present"
-"1,1,1,3,3,3-Hexafluoropropane-2,2-diol; 2-methylpropan-2-amine","","","","","","","","","","","","","","","","","","","","1,1,1,3,3,3-Hexafluoropropane-2,2-diol; 2-methylpropan-2-amine","","CC(C)(C)N.C(C(F)(F)F)(C(F)(F)F)(O)O","UBOMRTANDKUPIU-UHFFFAOYSA-N","385608",NA,"PDBC07111","676913","Present"
-"1,1,1,3,3-Pentachloro-3-(diethylphosphoryl)-2-propanol","","","","","","","","","","","","","","","","","","","","1,1,1,3,3-Pentachloro-3-(diethylphosphoryl)-2-propanol","","CCP(=O)(CC)C(C(C(Cl)(Cl)Cl)O)(Cl)Cl","HIYAPNNBFMVKKG-UHFFFAOYSA-N","383113",NA,"PDBC07112","671157","Present"
-"1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone","","","","","","","","","","","","","","","","","","","","1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone","","CC(C)CC(=O)CC(C(Cl)(Cl)Cl)O","LXHWHFYGBOTFKX-UHFFFAOYSA-N","256296",NA,"PDBC07113","83014","Present"
-"1,1,1-Trichloro-3-(4-cinnolinyl)-2-propanol","","","","","","","","","","","","","","","","","","","","1,1,1-Trichloro-3-(4-cinnolinyl)-2-propanol","","C1=CC=C2C(=C1)C(=CN=N2)CC(C(Cl)(Cl)Cl)O","FHUOVMQVBLKKFO-UHFFFAOYSA-N","377607",NA,"PDBC07114","659184","Present"
-"1,1,1-Triethoxy-2-butyne","","","","","","","","","","","","","","","","","","","","1,1,1-Triethoxy-2-butyne","","CCOC(C#CC)(OCC)OCC","CFBMFWCFXFHOKD-UHFFFAOYSA-N","371777",NA,"PDBC07115","646221","Present"
-"1,1,1-Trifluoro-2-hydroxy-2-(trifluoromethyl)-7-octen-4-one","","","","","","","","","","","","","","","","","","","","1,1,1-Trifluoro-2-hydroxy-2-(trifluoromethyl)-7-octen-4-one","","C=CCCC(=O)CC(C(F)(F)F)(C(F)(F)F)O","JKZULGZFOFPAFP-UHFFFAOYSA-N","379611",NA,"PDBC07116","664315","Present"
-"1,1,1-Trifluoro-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)-4-heptanone oxime","","","","","","","","","","","","","","","","","","","","1,1,1-Trifluoro-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)-4-heptanone oxime","","CCC(C)(C)C(=NO)CC(C(F)(F)F)(C(F)(F)F)O","SJXCKFYUPNKRCI-FMQZQXMHSA-N","5917649",NA,"PDBC07117","664339","Present"
-"1,1,1-Trifluoro-2-trifluoromethyl-2,4-pentanediol","","","","","","","","","","","","","","","","","","","","GS-0005","","CC(CC(C(F)(F)F)(C(F)(F)F)O)O","QAJCOMPEAMJMEB-UHFFFAOYSA-N","118191",NA,"PDBC07118","659256","Present"
-"1,1,1-Trifluoro-N-(4-nitrophenyl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","J3.587.449F","","C1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)[N+](=O)[O-]","DSOJFIIEMHFAGI-UHFFFAOYSA-N","394807",NA,"PDBC07119","698609","Present"
-"1,1,10,10-Tetramethoxycyclooctadecane","","","","","","","","","","","","","","","","","","","","1,1,10,10-Tetramethoxycyclooctadecane","","COC1(CCCCCCCCC(CCCCCCCC1)(OC)OC)OC","ANUXZHKUXMFHJH-UHFFFAOYSA-N","380899",NA,"PDBC07120","666681","Present"
-"1,1,2,2,6,6,7,7-Octaphenyl-3,5,8,10-tetrachloro-4,9-dimethyl-1,2,6,7-tetrahydrodicyclobuta[b,i]anthracene","","","","","","","","","","","","","","","","","","","","4,9,13,18-Tetrachloro-2,11-dimethyl-6,6,7,7,15,15,16,16-octakis-phenylpentacyclo[10.6.0.03,10.05,8.014,17]octadeca-1(12),2,4,8,10,13,17-heptaene","","CC1=C2C(=C(C3=C1C(=C4C(=C3Cl)C(C4(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)Cl)C)C(=C9C(=C2Cl)C(C9(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)Cl","NDJADNLNIJOOGX-UHFFFAOYSA-N","16129815",NA,"PDBC07121","680088","Present"
-"1,1,2,2-Tetrachloro-3,4-bis(dichloromethylene)cyclobutane","","","","","","","","","","","","","","","","","","","","Cyclobutane, 3,3,4,4-tetrachloro- 1,2-bis(dichloromethyl...","","C1(=C(Cl)Cl)C(=C(Cl)Cl)C(C1(Cl)Cl)(Cl)Cl","WNYCWKSFQDZCCY-UHFFFAOYSA-N","369620",NA,"PDBC07122","641533","Present"
-"1,1,2,2-Tetrakis(4-chlorophenyl)ethane-1,2-diol","","","","","","","","","","","","","","","","","","","","1,1,2,2-Tetrakis(4-chlorophenyl)ethane-1,2-diol","","C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)O)O)Cl","NSEBIZJZPRBGTF-UHFFFAOYSA-N","223157",NA,"PDBC07123","10425","Present"
-"1,1,2,4,4-Pentachloro-3-nitrobuta-1,3-diene","","","","","","","","","","","","","","","","","","","","1,3-butadiene, 1,1,2,4,4-pentachloro-3-nitro-","","C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)[N+](=O)[O-]","SRMCLUOMSNNKMQ-UHFFFAOYSA-N","379884",NA,"PDBC07124","665076","Present"
-"1,1,2-Tri(1H-indol-2-yl)-1,2-ethanediol","","","","","","","","","","","","","","","","","","","","1,1,2-Tri(1H-indol-2-yl)-1,2-ethanediol","","C1=CC=C2C(=C1)C=C(N2)C(C(C3=CC4=CC=CC=C4N3)(C5=CC6=CC=CC=C6N5)O)O","LXZAFHVQFKVVEB-UHFFFAOYSA-N","372682",NA,"PDBC07125","648215","Present"
-"1,1,3,3,7,7,9,9-Octamethyl-5,10,11-trithiadispiro[3.1.3^{6}.2^{4}]undecane-2,8-dione","","","","","","","","","","","","","","","","","","","","1,1,3,3,7,7,9,9-Octamethyl-5,10,11-trithiadispiro[3.1.3^{6}.2^{4}]undecane-2,8-dione","","CC1(C(=O)C(C12SC3(C(C(=O)C3(C)C)(C)C)SS2)(C)C)C","WJYASVVSSKVWSY-UHFFFAOYSA-N","393783",NA,"PDBC07126","696470","Present"
-"1,1,3,3-Tetrabenzyl-2-cyanoguanidine","","","","","","","","","","","","","","","","","","","","1,1,3,3-Tetrabenzyl-2-cyanoguanidine","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=NC#N)N(CC3=CC=CC=C3)CC4=CC=CC=C4","ISTIRUDUMPUSKM-UHFFFAOYSA-N","370392",NA,"PDBC07127","643486","Present"
-"1,1,3,3-Tetrabutyl-1,3-bis((2,4,5-trimethoxybenzoyl)oxy)distannoxane","","","","","","","","","","","","","","","","","","","","1,1,3,3-Tetrabutyl-1,3-bis((2,4,5-trimethoxybenzoyl)oxy)distannoxane","","CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1OC)OC)OC)O[Sn](CCCC)(CCCC)OC(=O)C2=CC(=C(C=C2OC)OC)OC","QWMWCVZTYBLTQM-UHFFFAOYSA-L","16683192",NA,"PDBC07128","643848","Present"
-"1,1,3,3-Tetrabutyl-1,3-bis((3,5-difluorobenzoyl)oxy)distannoxane","","","","","","","","","","","","","","","","","","","","[dibutyl-[dibutyl-(3,5-difluorobenzoyl)oxy-stannyl]oxy-stannyl] 3,5-difluorobenzoate","","CCCC[Sn](CCCC)(OC(=O)C1=CC(=CC(=C1)F)F)O[Sn](CCCC)(CCCC)OC(=O)C2=CC(=CC(=C2)F)F","RIHQCXQQFQCSHW-UHFFFAOYSA-L","16683198",NA,"PDBC07129","643854","Present"
-"1,1,3,3-Tetrabutyl-2-phenylguanidine","","","","","","","","","","","","","","","","","","","","N,N,N',N'-Tetrabutyl-N''-phenylguanidine","","CCCCN(CCCC)C(=NC1=CC=CC=C1)N(CCCC)CCCC","FQOADOJVSACSAJ-UHFFFAOYSA-N","371886",NA,"PDBC07130","646470","Present"
-"1,1,3,3-Tetraethyl-1,3-bis((3,4,5-trimethoxybenzoyl)oxy)distannoxane","","","","","","","","","","","","","","","","","","","","1,1,3,3-Tetraethyl-1,3-bis((3,4,5-trimethoxybenzoyl)oxy)distannoxane","","CC[Sn](CC)(OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)O[Sn](CC)(CC)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC","NHHUXXBLMNRCPV-UHFFFAOYSA-L","16683190",NA,"PDBC07131","643846","Present"
-"1,1,3,4-Tetrabromo-4-phenylbutan-2-one","","","","","","","","","","","","","","","","","","","","1,1,3,4-Tetrabromo-4-phenylbutan-2-one","","C1=CC=C(C=C1)C(C(C(=O)C(Br)Br)Br)Br","UUUQKIQSKJSFCW-UHFFFAOYSA-N","238545",NA,"PDBC07132","42972","Present"
-"1,1,3,4-Tetramethyl-3-(1-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole","","","","","","","","","","","","","","","","","","","","1,1,3,4-Tetramethyl-3-(1-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole","","CC1(CC(C2=C1C3=CC=CC=C3N2C)(C)C4=CN(C5=CC=CC=C54)C)C","YWGIJEUCONVDOX-UHFFFAOYSA-N","370350",NA,"PDBC07133","643413","Present"
-"1,1,3-Tribenzyl-3-butyl-2-cyanoguanidine","","","","","","","","","","","","","","","","","","","","1,1,3-Tribenzyl-3-butyl-2-cyanoguanidine","","CCCCN(CC1=CC=CC=C1)C(=NC#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3","ZLNJXNLUGQZBNS-UHFFFAOYSA-N","373931",NA,"PDBC07134","650959","Present"
-"1,1,3-Tribromo-3-methyl-2-butanone","","","","","","","","","","","","","","","","","","","","1,1,3-TRIBROMO-3-METHYL-2-BUTANONE","","CC(C)(C(=O)C(Br)Br)Br","HEYKFXBVIXZIFB-UHFFFAOYSA-N","219573",NA,"PDBC07135","1027","Present"
-"1,1,3-Trichloro-4,4-di(1-piperidinyl)-3-buten-2-one","","","","","","","","","","","","","","","","","","","","1,1,3-Trichloro-4,4-di(1-piperidinyl)-3-buten-2-one","","C1CCN(CC1)C(=C(C(=O)C(Cl)Cl)Cl)N2CCCCC2","CMEPCMQSRVQRFN-UHFFFAOYSA-N","384037",NA,"PDBC07136","673148","Present"
-"1,1,3-Trichloro-4,4-di(4-morpholinyl)-3-buten-2-one","","","","","","","","","","","","","","","","","","","","1,1,3-Trichloro-4,4-di(4-morpholinyl)-3-buten-2-one","","C1COCCN1C(=C(C(=O)C(Cl)Cl)Cl)N2CCOCC2","SRZSSNFOUGIOKB-UHFFFAOYSA-N","384038",NA,"PDBC07137","673149","Present"
-"1,1,3-Triphenylpropargyl alcohol","","","","","","","","","","","","","","","","","","","","2-propyn-1-ol, 1,1,3-triphenyl- (8ci)","","C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O","VWRQCJRTHKUVNF-UHFFFAOYSA-N","137058",NA,"PDBC07138","52241","Present"
-"1,1,3-Tris(2-fluoro-2,2-dinitroethyl)urea","","","","","","","","","","","","","","","","","","","","N,N-(fluorodinitroethyl)-N'-fluorodinitroethylurea","","C(C([N+](=O)[O-])([N+](=O)[O-])F)NC(=O)N(CC([N+](=O)[O-])([N+](=O)[O-])F)CC([N+](=O)[O-])([N+](=O)[O-])F","WCVGRGIUDONGEZ-UHFFFAOYSA-N","385941",NA,"PDBC07139","677413","Present"
-"1,1,3-Tris(ethoxymethyl)urea","","","","","","","","","","","","","","","","","","","","1,1,3-Tris(ethoxymethyl)urea","","CCOCNC(=O)N(COCC)COCC","KKKKKPSGWVVRLJ-UHFFFAOYSA-N","370396",NA,"PDBC07140","643492","Present"
-"1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dihydroxy-","","","","","","","","","","","","","","","","","","","","1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dihydroxy-","","C1CCCC(C(C(C(CC1)(CCC#N)CCC#N)O)O)(CCC#N)CCC#N","MTTUERYEXXCQBJ-UHFFFAOYSA-N","380913",NA,"PDBC07141","666696","Present"
-"1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dioxo-","","","","","","","","","","","","","","","","","","","","1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dioxo-","","C1CCCC(C(=O)C(=O)C(CC1)(CCC#N)CCC#N)(CCC#N)CCC#N","SMBRNMXWHMIBML-UHFFFAOYSA-N","380914",NA,"PDBC07142","666697","Present"
-"1,1,4,4-Cyclodecanetetrapropanoic acid, 2,3-dioxo-, tetramethyl ester","","","","","","","","","","","","","","","","","","","","1,1,4,4-Cyclodecanetetrapropanoic acid, 2,3-dioxo-, tetramethyl ester","","COC(=O)CCC1(CCCCCCC(C(=O)C1=O)(CCC(=O)OC)CCC(=O)OC)CCC(=O)OC","GAYHADIMVMIULI-UHFFFAOYSA-N","380915",NA,"PDBC07143","666698","Present"
-"1,1,4,4-Cyclododecanetetrabutanoic acid, 2,3-dioxo-, tetramethyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-[1,4,4-tris(4-methoxy-4-oxo-butyl)-2,3-dioxo-cyclododecyl]butanoate","","COC(=O)CCCC1(CCCCCCCCC(C(=O)C1=O)(CCCC(=O)OC)CCCC(=O)OC)CCCC(=O)OC","KCUJCGXWBSMQRQ-UHFFFAOYSA-N","380910",NA,"PDBC07144","666693","Present"
-"1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dihydroxy-","","","","","","","","","","","","","","","","","","","","1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dihydroxy-","","C1CCCCC(C(C(C(CCC1)(CCC#N)CCC#N)O)O)(CCC#N)CCC#N","OQQHXXWYMQPCJH-UHFFFAOYSA-N","380911",NA,"PDBC07145","666694","Present"
-"1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dioxo-","","","","","","","","","","","","","","","","","","","","1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dioxo-","","C1CCCCC(C(=O)C(=O)C(CCC1)(CCC#N)CCC#N)(CCC#N)CCC#N","CEAARCYFWJJGGE-UHFFFAOYSA-N","380908",NA,"PDBC07146","666691","Present"
-"1,1,4,4-Cyclododecanetetrapropanoic acid, 2,3-dioxo-, tetraethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 3-[1,4,4-tris(3-ethoxy-3-oxo-propyl)-2,3-dioxo-cyclododecyl]propanoate","","CCOC(=O)CCC1(CCCCCCCCC(C(=O)C1=O)(CCC(=O)OCC)CCC(=O)OCC)CCC(=O)OCC","QCUSEJIVOYKGNV-UHFFFAOYSA-N","380912",NA,"PDBC07147","666695","Present"
-"1,1,4,4-Tetramethoxy-decahydro-cyclobutadicyclopentene","","","","","","","","","","","","","","","","","","","","1,1,4,4-Tetramethoxy-decahydro-cyclobutadicyclopentene","","COC1(CCC2C1C3C2C(CC3)(OC)OC)OC","HKCQGSNZSYGLIL-UHFFFAOYSA-N","369220",NA,"PDBC07148","640926","Present"
-"1,1,4,7,10,10-Hexaphenyl-1,4,7,10-tetraphosphadecane","","","","","","","","","","","","","","","","","","","","NSC164876///NSC164877","","C1=CC=C(C=C1)P(CCP(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CCP(C5=CC=CC=C5)C6=CC=CC=C6","TXFNTLLEAYZBGV-UHFFFAOYSA-N","90193",NA,"PDBC07149","164876///164877","Present"
-"1,1,5,5-Tetramethyl-2-thiobiuret","","","","","","","","","","","","","","","","","","","","QDQACASBAIWXJJ-UHFFFAOYSA-N","","CN(C)C(=O)NC(=S)N(C)C","QDQACASBAIWXJJ-UHFFFAOYSA-N","3004018",NA,"PDBC07150","622657","Present"
-"1,1,5-Trimethyl-dithiobiuret","","","","","","","","","","","","","","","","","","","","1,1-dimethyl-3-(methylcarbamothioyl)thiourea","","CNC(=S)NC(=S)N(C)C","ZFNHECIXLFHBIG-UHFFFAOYSA-N","3004022",NA,"PDBC07151","622693","Present"
-"1,1,5-Trimethylfuro[3,4-c]pyridine-3,4-dione","","","","","","","","","","","","","","","","","","","","Cerpegin","","CC1(C2=C(C(=O)N(C=C2)C)C(=O)O1)C","ANFMKCSQXDEJMT-UHFFFAOYSA-N","379803",NA,"PDBC07152","664901","Present"
-"1,1,6,6-Tetramethyl-2,7-diphenyldispiro[2.1.2.2]nonan-4-one","","","","","","","","","","","","","","","","","","","","1,1,6,6-Tetramethyl-2,7-diphenyldispiro[2.1.2.2]nonan-4-one","","CC1(C(C12CCC3(C2=O)C(C3(C)C)C4=CC=CC=C4)C5=CC=CC=C5)C","KXLWBFPVIVAVFT-UHFFFAOYSA-N","365516",NA,"PDBC07153","633204","Present"
-"1,1,8-Trichloro-5-(cyclopropylmethyl)-9b-phenyl-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one","","","","","","","","","","","","","","","","","","","","1,1,8-Trichloro-5-(cyclopropylmethyl)-9b-phenyl-3H-azirino[1,2-d][1,4]benzodiazepin-4-one","","C1CC1CN2C(=O)CN3C(C3(Cl)Cl)(C4=C2C=CC(=C4)Cl)C5=CC=CC=C5","GDBRNGAUUMNIRB-UHFFFAOYSA-N","374304",NA,"PDBC07154","651833","Present"
-"1,1,8-Trichloro-5-methyl-4-oxo-9b-phenyl-3,4,5,9b-tetrahydro-1H-azireno[1,2-d][1,4]benzodiazepin-3-yl dimethylcarbamate","","","","","","","","","","","","","","","","","","","","(1,1,8-Trichloro-5-methyl-4-oxo-9b-phenyl-3H-azirino[1,2-d][1,4]benzodiazepin-3-yl) N,N-dimethylcarbamate","","CN1C2=C(C=C(C=C2)Cl)C3(C(N3C(C1=O)OC(=O)N(C)C)(Cl)Cl)C4=CC=CC=C4","KKJMOKLDOLBGQK-UHFFFAOYSA-N","374301",NA,"PDBC07155","651830","Present"
-"1,1,8-Trichloro-5-methyl-9b-phenyl-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one","","","","","","","","","","","","","","","","","","","","1,1,8-Trichloro-5-methyl-9b-phenyl-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one","","CN1C(=O)CN2C(C2(Cl)Cl)(C3=C1C=CC(=C3)Cl)C4=CC=CC=C4","MBDAGNNYSNKUSM-UHFFFAOYSA-N","374300",NA,"PDBC07156","651829","Present"
-"1,1,8-Trichloro-9b-phenyl-5-(2,2,2-trifluoroethyl)-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one","","","","","","","","","","","","","","","","","","","","1,1,8-Trichloro-9b-phenyl-5-(2,2,2-trifluoroethyl)-3H-azirino[1,2-d][1,4]benzodiazepin-4-one","","C1C(=O)N(C2=C(C=C(C=C2)Cl)C3(N1C3(Cl)Cl)C4=CC=CC=C4)CC(F)(F)F","OUFFKFFCHBPRPT-UHFFFAOYSA-N","374302",NA,"PDBC07157","651831","Present"
-"1,1,8-Trichloro-9b-phenyl-5-(2-propynyl)-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one","","","","","","","","","","","","","","","","","","","","1,1,8-trichloro-9b-phenyl-5-prop-2-ynyl-3H-azirino[1,2-d][1,4]benzodiazepin-4-one","","C#CCN1C(=O)CN2C(C2(Cl)Cl)(C3=C1C=CC(=C3)Cl)C4=CC=CC=C4","DRVAPCONZJRVLU-UHFFFAOYSA-N","374303",NA,"PDBC07158","651832","Present"
-"1,1-A]Quinoxalin-6-one","","","","","","","","","","","","","","","","","","","","1,4- DIMETHOXY-5H-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE","","COC1=C2C(=C(C=C1)OC)N3C=C4C=CC=CC4=C3C(=O)N2","GKZKCMUUCHACQA-UHFFFAOYSA-N","54612829",NA,"PDBC07159","747525","Present"
-"1,1-Bis(1,3-benzothiazol-2-yl)prop-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","1,1-Bis(1,3-benzothiazol-2-yl)prop-2-yn-1-ol","","C#CC(C1=NC2=CC=CC=C2S1)(C3=NC4=CC=CC=C4S3)O","LNWGNHLLGYUJCU-UHFFFAOYSA-N","398026",NA,"PDBC07160","707099","Present"
-"1,1-Bis(2-aminoethyl)-2-hydroxy-3-oxotriazane","","","","","","","","","","","","","","","","","","","","AEED/NO","","C(CN(CCN)[N+](=NO)[O-])N","YNRCBOXEDICOIX-CLFYSBASSA-N","135402056",NA,"PDBC07161","653048","Present"
-"1,1-Bis(2-bromophenyl)-2,2,2-trifluoroethanol","","","","","","","","","","","","","","","","","","","","1,1-Bis(2-bromophenyl)-2,2,2-trifluoroethanol","","C1=CC=C(C(=C1)C(C2=CC=CC=C2Br)(C(F)(F)F)O)Br","HWMBAASWBZYUOS-UHFFFAOYSA-N","358622",NA,"PDBC07162","618630","Present"
-"1,1-Bis(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium chloride","","","","","","","","","","","","","","","","","","","","1,1-Bis(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium chloride","","CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCO.[Cl-]","XSNYFBOKNHNFTJ-UHFFFAOYSA-M","24184220",NA,"PDBC07163","33574","Present"
-"1,1-Bis(4-chlorophenyl)-2-nitroethene","","","","","","","","","","","","","","","","","","","","1,1'-(2-nitroethene-1,1-diyl)bis(4-chlorobenzene)","","C1=CC(=CC=C1C(=C[N+](=O)[O-])C2=CC=C(C=C2)Cl)Cl","UJJMCRNGTXQAGK-UHFFFAOYSA-N","363695",NA,"PDBC07164","628810","Present"
-"1,1-Bis(4-chlorophenyl)naphtho[1,2-c]furan-3(1H)-one","","","","","","","","","","","","","","","","","","","","1,1-Bis(4-chlorophenyl)naphtho[1,2-c]furan-3(1H)-one","","C1=CC=C2C(=C1)C=CC3=C2C(OC3=O)(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","LKKCVYQQCACLJG-UHFFFAOYSA-N","362062",NA,"PDBC07165","625584","Present"
-"1,1-Bis(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-4,5-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","1,1-Bis(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-4,5-dicarboxylic acid","","C1=CC(=CC=C1C2(C3=C(C(=C(C=C3)C(=O)O)C(=O)O)C(=O)O2)C4=CC=C(C=C4)O)O","ZGDJEQHIAMZUEK-UHFFFAOYSA-N","276305",NA,"PDBC07166","123993","Present"
-"1,1-Bis(4-methoxyphenyl)-2-nitroethene","","","","","","","","","","","","","","","","","","","","1,1-Bis(4-methoxyphenyl)-2-nitroethene","","COC1=CC=C(C=C1)C(=C[N+](=O)[O-])C2=CC=C(C=C2)OC","KFFANRUOKOLBPN-UHFFFAOYSA-N","363696",NA,"PDBC07167","628811","Present"
-"1,1-Bis(allyloxy)-2-bromo-2-butene","","","","","","","","","","","","","","","","","","","","(Z)-1,1-diallyloxy-2-bromo-but-2-ene","","CC=C(C(OCC=C)OCC=C)Br","HGZGFEKGYWBLPB-TWGQIWQCSA-N","5469951",NA,"PDBC07168","694682","Present"
-"1,1-Bis(chlorodifluoromethyl)-3-phenyl-1,3-propanediol","","","","","","","","","","","","","","","","","","","","LS-120177","","C1=CC=C(C=C1)C(CC(C(F)(F)Cl)(C(F)(F)Cl)O)O","ZGRPQOKXVFKJQN-UHFFFAOYSA-N","215057",NA,"PDBC07169","659268","Present"
-"1,1-Bis(methylsulfanyl)-2,2-diphenyl-8H-azeto[2,1-b]quinazoline","","","","","","","","","","","","","","","","","","","","1,1-Bis(methylsulfanyl)-2,2-diphenyl-8h-azeto[4,1-b]quinazoline","","CSC1(C(C2=NC3=CC=CC=C3CN21)(C4=CC=CC=C4)C5=CC=CC=C5)SC","RVJDAJWAQCTALO-UHFFFAOYSA-N","397769",NA,"PDBC07170","706192","Present"
-"1,1-Bis(methylsulfanyl)-N-[6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]methanimine","","","","","","","","","","","","","","","","","","","","1,1-Bis(methylsulfanyl)-N-[6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]methanimine","","CSC(=NC1=NC(N=C(O1)C2=CC=CC=C2)(C(F)(F)F)C(F)(F)F)SC","FVWVBTANFPKHGF-UHFFFAOYSA-N","401443",NA,"PDBC07171","715103","Present"
-"1,1-Bis(methylthio)cyclododecane","","","","","","","","","","","","","","","","","","","","1,1-Bis(methylthio)cyclododecane","","CSC1(CCCCCCCCCCC1)SC","UKOGIDBXMRYCEQ-UHFFFAOYSA-N","380700",NA,"PDBC07172","666406","Present"
-"1,1-Bis(pyridin-2-ylmethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, N,N-bis[(2-pyridinyl)methyl]-2-...","","C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=S)NN=CC3=CC=CC=N3","AEEZWHXVVXFVAD-QRVIBDJDSA-N","5803652",NA,"PDBC07173","689534","Present"
-"1,1-Bis[di(propan-2-yloxy)phosphoryl]-N,N-dimethylmethanamine;trichloro(phenyl)stannane","","","","","","","","","","","","","","","","","","","","1,1-Bis[di(propan-2-yloxy)phosphoryl]-N,N-dimethylmethanamine;trichloro(phenyl)stannane","","CC(C)OP(=O)(C(N(C)C)P(=O)(OC(C)C)OC(C)C)OC(C)C.C1=CC=C(C=C1)[Sn](Cl)(Cl)Cl","LAKCTDRHFWPAEW-UHFFFAOYSA-K","371347",NA,"PDBC07174","645567","Present"
-"1,1-Diamine, 3,4-dichloro-2,4-dinitro-N,N'-diphenyl-, (3E)-","","","","","","","","","","","","","","","","","","","","1,3-Butadiene-1,1-diamine, 3,4-dichloro-2,4-dinitro-N,N'...","","C1=CC=C(C=C1)NC(=C(C(=C([N+](=O)[O-])Cl)Cl)[N+](=O)[O-])NC2=CC=CC=C2","PAQPKOLICMDGJW-SQFISAMPSA-N","5470211",NA,"PDBC07175","698398","Present"
-"1,1-Dichloro-1-(diethylphosphoryl)-3,3-dimethyl-2-butanol","","","","","","","","","","","","","","","","","","","","1,1-Dichloro-1-(diethylphosphoryl)-3,3-dimethyl-2-butanol","","CCP(=O)(CC)C(C(C(C)(C)C)O)(Cl)Cl","WBCNOCBVAZZYLN-UHFFFAOYSA-N","383114",NA,"PDBC07176","671158","Present"
-"1,1-Dichloro-2,3-diphenylcyclopropane","","","","","","","","","","","","","","","","","","","","Z-1,1-Dichloro-2,3-diphenyl-cyclopropane","","C1=CC=C(C=C1)C2C(C2(Cl)Cl)C3=CC=CC=C3","DJDNTZDWSNETAS-UHFFFAOYSA-N","115061",NA,"PDBC07177","699679","Present"
-"1,1-Dichloro-9b-(2-fluorophenyl)-5-methyl-8-nitro-3H-azirino[1,2-d][1,4]benzodiazepin-4-one","","","","","","","","","","","","","","","","","","","","1,1-Dichloro-9b-(2-fluorophenyl)-5-methyl-8-nitro-3H-azirino[1,2-d][1,4]benzodiazepin-4-one","","CN1C(=O)CN2C(C2(Cl)Cl)(C3=C1C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4F","GIXZUZOHIARRFD-UHFFFAOYSA-N","374305",NA,"PDBC07178","651834","Present"
-"1,1-Dicyclohexyl-3-methylthiourea","","","","","","","","","","","","","","","","","","","","Thiourea, N,N-dicyclohexyl-N'-methyl-","","CNC(=S)N(C1CCCCC1)C2CCCCC2","FCTZHTNDEQBDAJ-UHFFFAOYSA-N","3774934",NA,"PDBC07179","174044","Present"
-"1,1-Diethoxy-2-isothiocyanatoethane","","","","","","","","","","","","","","","","","","","","STK975796","","CCOC(CN=C=S)OCC","HPRRRCJCXROIAC-UHFFFAOYSA-N","377608",NA,"PDBC07180","659185","Present"
-"1,1-Diethyl-3-[(E)-(2-hydroxy-5-methoxy-phenyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1,1-Diethyl-3-[(E)-(2-hydroxy-5-methoxy-phenyl)methyleneamino]thiourea","","CCN(CC)C(=S)NN=CC1=C(C=CC(=C1)OC)O","VCCRJRGPJNJTDH-NTEUORMPSA-N","135484935",NA,"PDBC07181","673836","Present"
-"1,1-Diethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1,1-Diethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea","","CCN(CC)C(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])O","IQMMBBBHPAXETL-MDWZMJQESA-N","135484937",NA,"PDBC07182","673837","Present"
-"1,1-Diethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1,1-Diethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea","","CCN(CC)C(=S)NN=C(C)C1=CC=CC=C1O","MVEROYBQOOYJKT-GXDHUFHOSA-N","135410267",NA,"PDBC07183","641298","Present"
-"1,1-Diethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","1,1-Diethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea","","CCN(CC)C(=S)N=NC1=C(NC2=CC=CC=C21)O","RKVXMJSQFZAMTJ-UHFFFAOYSA-N","381665",NA,"PDBC07184","668493","Present"
-"1,1-Diethyl-3-[4-(7-hydroxy-2-oxo-chromen-3-yl)phenyl]thiourea","","","","","","","","","","","","","","","","","","","","1,1-Diethyl-3-[4-(7-hydroxy-2-oxo-chromen-3-yl)phenyl]thiourea","","CCN(CC)C(=S)NC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O","XSAMYPJPRUQNHY-UHFFFAOYSA-N","5465901",NA,"PDBC07185","667267","Present"
-"1,1-Diethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1,1-Diethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","CCC1(N2C(=NC3=CC=CC=C32)CS1)CC","CMVFCRBJNIAVEV-UHFFFAOYSA-N","382383",NA,"PDBC07186","669941","Present"
-"1,1-Diethylphospholan-1-ium;bromide","","","","","","","","","","","","","","","","","","","","1,1-Diethylphospholan-1-ium;bromide","","CC[P+]1(CCCC1)CC.[Br-]","WBYKPCDVWDLZME-UHFFFAOYSA-M","357583",NA,"PDBC07187","617061","Present"
-"1,1-Dimethyl-1H,3H-thiazolo[3,4-a]imidazo[4,5-b]pyridine","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-4-thia-2,7,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene","","CC1(N2C(=NC3=C2C=CC=N3)CS1)C","PBXFJWDGCXRHRO-UHFFFAOYSA-N","368705",NA,"PDBC07188","639841","Present"
-"1,1-Dimethyl-2-(5-nitro-2-phenyl-3H-pyridazin-4-yl)hydrazine","","","","","","","","","","","","","","","","","","","","5-(2,2-Dimethylhydrazinyl)-4-nitro-1-phenyl-1,6-dihydropyridazine","","CN(C)NC1=C(C=NN(C1)C2=CC=CC=C2)[N+](=O)[O-]","RVCIPAQCXKNYEY-UHFFFAOYSA-N","372167",NA,"PDBC07189","647118","Present"
-"1,1-Dimethyl-2-(phenylthio)-2,3-butadienyl acetate","","","","","","","","","","","","","","","","","","","","1,1-Dimethyl-2-(phenylthio)-2,3-butadienyl acetate","","CC(=O)OC(C)(C)C(=C=C)SC1=CC=CC=C1","RAKICPYDBCPJIL-UHFFFAOYSA-N","373326",NA,"PDBC07190","649470","Present"
-"1,1-Dimethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","Indole-2,3-dione, 3-(4,4-dimethyl-3-thiosemicarbazone)","","CN(C)C(=S)N=NC1=C(NC2=CC=CC=C21)O","ZQNRZEOPQMUIBY-UHFFFAOYSA-N","256526",NA,"PDBC07191","83459","Present"
-"1,1-Dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1,1-Dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","CC1(N2C(=NC3=CC=CC=C32)CS1)C","HZZJQNVSJLPFCZ-UHFFFAOYSA-N","382382",NA,"PDBC07192","669940","Present"
-"1,1-Dimethyl-4-(4-(4-morpholinyl)phenyl)-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1,1-Dimethyl-4-(4-(4-morpholinyl)phenyl)-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole","","CC1(C2=NC3=CC=CC=C3N2CN(CO1)C4=CC=C(C=C4)N5CCOCC5)C","JHAHMXUOSUZVOH-UHFFFAOYSA-N","374205",NA,"PDBC07193","651695","Present"
-"1,1-Dimethyl-4-phenylazepan-1-ium-4-carbonitrile;bromide","","","","","","","","","","","","","","","","","","","","NSC400480","","C[N+]1(CCCC(CC1)(C#N)C2=CC=CC=C2)C.[Br-]","XCVSQCMUAVSPIT-UHFFFAOYSA-M","24200671",NA,"PDBC07194","400480","Present"
-"1,1-Dimethyl-4-phenylpiperidin-1-ium-4-carbonitrile;iodide","","","","","","","","","","","","","","","","","","","","NSC401414","","C[N+]1(CCC(CC1)(C#N)C2=CC=CC=C2)C.[I-]","VTRIROHHIWNDNM-UHFFFAOYSA-M","24200816",NA,"PDBC07195","401414","Present"
-"1,1-Dimethyl-5-(2-naphthalenyl)dithiobiuret","","","","","","","","","","","","","","","","","","","","1,1-dimethyl-5-(2-naphthalenyl)dithiobiuret","","CN(C)C(=S)NC(=S)NC1=CC2=CC=CC=C2C=C1","VKRQERUBXPLFCD-UHFFFAOYSA-N","3004012",NA,"PDBC07196","622596","Present"
-"1,1-Dimethylprop-2-ynyl 2-diazo-3-oxo-butanoate","","","","","","","","","","","","","","","","","","","","2-Diazonio-1-[(2-methylbut-3-yn-2-yl)oxy]-3-oxobut-1-en-1-olate","","CC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C#C","RLPJUVHWUUICOK-UHFFFAOYSA-N","379012",NA,"PDBC07197","662777","Present"
-"1,1-Dioxido-1,5-benzothiazepin-4-yl methyl ether","","","","","","","","","","","","","","","","","","","","4-Methoxy-1,5-benzothiazepine-1,1-dioxide","","COC1=NC2=CC=CC=C2S(=O)(=O)C=C1","RMBDJWKSEQLZLA-UHFFFAOYSA-N","358940",NA,"PDBC07198","619102","Present"
-"1,1-Dioxido-2,3-dihydro-1,2-benzisothiazol-3-yl 2-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","1,1-Dioxido-2,3-dihydro-1,2-benzisothiazol-3-yl 2-methylbenzenesulfonate","","CC1=CC=CC=C1S(=O)(=O)OC2C3=CC=CC=C3S(=O)(=O)N2","KKDFWTGOOLHBNV-UHFFFAOYSA-N","248881",NA,"PDBC07199","66426","Present"
-"1,1-Dioxido-2-phenyl-1-benzothiophen-3-yl acetate","","","","","","","","","","","","","","","","","","","","1,1-Dioxido-2-phenyl-1-benzothiophen-3-yl acetate","","CC(=O)OC1=C(S(=O)(=O)C2=CC=CC=C21)C3=CC=CC=C3","ADMVFOOSXYDQGD-UHFFFAOYSA-N","387199",NA,"PDBC07200","680741","Present"
-"1,1-Dioxo-1,2,5-thiadiazolidin-3-one","","","","","","","","","","","","","","","","","","","","1,2,5-Thiadiazolidin-3-one,  1,1-dioxide","","C1C(=O)NS(=O)(=O)N1","JSZAZZQHDRHICK-UHFFFAOYSA-N","372649",NA,"PDBC07201","648146","Present"
-"1,1-Dioxo-2-(3-phenoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Phenoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one 1,1-dioxide","","C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4","SLOTXYGXLAYLRH-UHFFFAOYSA-N","401411",NA,"PDBC07202","715063","Present"
-"1,1-Dioxo-2-phenyl-1-benzothiophen-3-ol","","","","","","","","","","","","","","","","","","","","2-Phenyl-1-benzothiophene-3-ol 1,1-dioxide","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2(=O)=O)O","BKOLGSIXTJNDBS-UHFFFAOYSA-N","387198",NA,"PDBC07203","680740","Present"
-"1,1-Dioxo-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Cyano-4H-thieno[3,2-b]-1,4-thiazine 1,1-dioxide","","C1=CSC2=C1S(=O)(=O)C(=CN2)C#N","DOFCSXFEAZQTQH-UHFFFAOYSA-N","392827",NA,"PDBC07204","693804","Present"
-"1,1-Dioxo-N,2-diphenyl-3H-1,2-benzothiazol-3-amine","","","","","","","","","","","","","","","","","","","","1,1-Dioxo-N,2-diphenyl-3H-1,2-benzothiazol-3-amine","","C1=CC=C(C=C1)NC2C3=CC=CC=C3S(=O)(=O)N2C4=CC=CC=C4","VXCHCAXOIAGERL-UHFFFAOYSA-N","385096",NA,"PDBC07205","676031","Present"
-"1,1-Diphenyl-2-(3-pyridinyl)ethanol","","","","","","","","","","","","","","","","","","","","Maybridge4_002852","","C1=CC=C(C=C1)C(CC2=CN=CC=C2)(C3=CC=CC=C3)O","ISHRKNDRIGDTBK-UHFFFAOYSA-N","238376",NA,"PDBC07206","42708","Present"
-"1,1-Diphenyl-2-(4-nitrophenyl)-1,2-dihydro-3H-2a,8-diazacyclobuta[b]naphthalen-3-one","","","","","","","","","","","","","","","","","","","","1-(4-Nitrophenyl)-2,2-diphenyl-1h-azeto[4,1-b]quinazolin-8-one","","C1=CC=C(C=C1)C2(C(N3C2=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6","DJGZHXCAORGNPH-UHFFFAOYSA-N","397770",NA,"PDBC07207","706193","Present"
-"1,1-Diphenyl-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","5-[(Diphenylcarbamoyl)amino]-1,3,4-thiadiazole-2-sulfonamide","","C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=NN=C(S3)S(=O)(=O)N","AKNQQMWAXRCKIA-UHFFFAOYSA-N","396504",NA,"PDBC07208","702689","Present"
-"1,1-Diphenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]urea","","","","","","","","","","","","","","","","","","","","1,1-Diphenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]urea","","C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)S(=O)(=O)N","KVPJTUZDUWRZHQ-UHFFFAOYSA-N","397554",NA,"PDBC07209","705874","Present"
-"1,1-Diphenylbutane-1,4-diol","","","","","","","","","","","","","","","","","","","","023D945","","C1=CC=C(C=C1)C(CCCO)(C2=CC=CC=C2)O","FMSXBGXFTZSEAU-UHFFFAOYSA-N","96679",NA,"PDBC07210","85870","Present"
-"1,1-Dipropyl-3-[(E)-2-pyridylmethyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1,1-Dipropyl-3-[(E)-2-pyridylmethyleneamino]thiourea","","CCCN(CCC)C(=S)NN=CC1=CC=CC=N1","ARFYQGPGBDRRSP-RVDMUPIBSA-N","9554743",NA,"PDBC07211","667870","Present"
-"1,1-bis(4-hydroxyphenyl)-2-ferrocenyl-but-1-ene","","","","","","","","","","","","","","","","","","","","1,1-bis(4-hydroxyphenyl)-2-ferrocenyl-but-1-ene","","","","",NA,"PDBC07212","748141","Present"
-"1,1-bis(p-hydroxyphenyl)-2-ferrocenyl-5-hydroxy-pent-1-ene","","","","","","","","","","","","","","","","","","","","1,1-bis(p-hydroxyphenyl)-2-ferrocenyl-5-hydroxy-pent-1-ene","","","","",NA,"PDBC07213","775548","Present"
-"1,1-dimethyl-3-[?]yl-urea","","","","","","","","","","","","","","","","","","","","1,1-dimethyl-3-[?]yl-urea","","CN(C)C(=O)NC1=CC2=C3C(=C1)CCCN3CCC2","UIFZYBLZIJEBCT-UHFFFAOYSA-N","377664",NA,"PDBC07214","659245","Present"
-"1,1-dimethylethyl methyl diester, (z, e)","","","","","","","","","","","","","","","","","","","","1,1-dimethylethyl methyl diester, (z, e)","","CC(C)(C)OC(=O)C=CC(=CSC1=CC=CC=C1)C(=O)OC","YXGNXJVHYJIRTR-MRBUWEIXSA-N","5386766",NA,"PDBC07215","617603","Present"
-"1,10-Dimethoxybenzo[c][1,2]benzodithiine","","","","","","","","","","","","","","","","","","","","1,10-Dimethoxybenzo[c][1,2]benzodithiine","","COC1=C2C(=CC=C1)SSC3=CC=CC(=C32)OC","SQTYIYFPTCTKIO-UHFFFAOYSA-N","400580",NA,"PDBC07216","712703","Present"
-"1,10-Dimethyl-1,3a,4,10b-tetrahydro-3H-isoxazolo[3',4':3,4]pyrrolo[1,2-a]indole","","","","","","","","","","","","","","","","","","","","1H-Isoxazolo[3',4':3,4]pyrrolo[1,2-a]indole,  3,3a,4,10b...","","CC1=C2C3C(CN2C4=CC=CC=C14)CON3C","RCJBKGVIIPIVRD-UHFFFAOYSA-N","372529",NA,"PDBC07217","647708","Present"
-"1,10-Dimethyl-4-(methylthio)-3-phenyl-1,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine","","","","","","","","","","","","","","","","","","","","1,10-Dimethyl-4-(methylthio)-3-phenyl-1,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine","","CN1C2=CC=CC=C2N=C(C3=C1N(N=C3C4=CC=CC=C4)C)SC","WZMNFVIYQRHNTJ-UHFFFAOYSA-N","383801",NA,"PDBC07218","672304","Present"
-"1,10-Dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-16,17-diyl)bis (azanediyl)dianthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1,1'-(5,10-dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]...","","C1=CC=C2C(=C1)C3=CC(=C4C5=C(C=CC(=C35)C2=O)C6=C7C4=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)NC1=CC=CC2=C1C(=O)C1=CC=CC=C1C2=O)NC1=CC=CC2=C1C(=O)C1=CC=CC=C1C2=O","UGSQFDNHGAUKMD-UHFFFAOYSA-N","16129644",NA,"PDBC07219","23128","Present"
-"1,10-Diphenyl-1,10-cyclooctadecanediol","","","","","","","","","","","","","","","","","","","","1,10-Diphenyl-1,10-cyclooctadecanediol","","C1CCCCC(CCCCCCCCC(CCC1)(C2=CC=CC=C2)O)(C3=CC=CC=C3)O","SPYDTSUWTZXBSX-UHFFFAOYSA-N","380900",NA,"PDBC07220","666682","Present"
-"1,10-Phenanthroline hydrochloride","","","","","","","","","","","","","","","","","","","","Phenanthroline hydrochloride","","C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.Cl","QPXDKQBBJCTNOY-UHFFFAOYSA-N","73350",NA,"PDBC07221","4265","Present"
-"1,10-Phenanthroline-5,6-dione","","","","","","","","","","","","","","","","","","","","1,10-Phenanthroline-5,6-dione","","C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1","KCALAFIVPCAXJI-UHFFFAOYSA-N","72810",NA,"PDBC07222","346882","Present"
-"1,10-Phenanthroline;rhodium(3+);chloride","","","","","","","","","","","","","","","","","","","","1,10-Phenanthroline;rhodium(3+);chloride","","C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Rh+3]","FLBDXHZEHVHCEI-UHFFFAOYSA-M","24202033",NA,"PDBC07223","619183","Present"
-"1,10-Phenanthrolinium[tetrachloro-1,10 -phenanthrolineru...","","","","","","","","","","","","","","","","","","","","1,10-Phenanthrolinium[tetrachloro-1,10 -phenanthrolineru...","","","","",NA,"PDBC07224","630123","Present"
-"1,10-Trioxa-4,13-diazacyclopentadecanedichloroplatinum-(II)","","","","","","","","","","","","","","","","","","","","1,7,10-Trioxa-4,13-diazacyclopentadecanedichloroplatinum...","","C1C[OH+]CCNCC[OH+]CC[OH+]CCN1.[Cl-].[Pt+4]","JUOAUCGYUAAHIH-UHFFFAOYSA-P","54608067",NA,"PDBC07225","632609","Present"
-"1,10-Trioxa-4,13-diazacyclopentadecanedihydroxoplatinum-(IV)dichloride","","","","","","","","","","","","","","","","","","","","1,7,10-Trioxa-4,13-diazacyclopentadecanedihydroxoplatinu...","","C1C[OH+]CCNCC[OH+]CC[OH+]CCN1.O.[Cl-].[Pt+4]","YKVUNLDWIKNYFY-UHFFFAOYSA-P","54608068",NA,"PDBC07226","632611","Present"
-"1,11,12,13,14,14-Hexachloro-6-triphenylstannyl-6-azatetracyclo[9.2.1.02,10.04,8]tetradec-12-ene-5,7-dione","","","","","","","","","","","","","","","","","","","","1,11,12,13,14,14-Hexachloro-6-triphenylstannyl-6-azatetracyclo[9.2.1.02,10.04,8]tetradec-12-ene-5,7-dione","","C1C2C(CC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)N(C2=O)[Sn](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","QMXPFFBRRUJWPN-UHFFFAOYSA-M","269110",NA,"PDBC07227","109682","Present"
-"1,11-Diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-ol","","","","","","","","","","","","","","","","","","","","1,11-Diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-ol","","C1CC2CC(C3=C(CCN(C1)C2)C4=CC=CC=C4N3)O","RKGINSSVMLCQKI-UHFFFAOYSA-N","393309",NA,"PDBC07228","694974","Present"
-"1,11-Dimethyl-1H-pyrazolo[4,3-c][1,5]benzodiazocine-4,10(5H,11H)-dione","","","","","","","","","","","","","","","","","","","","1,11-Dimethyl-1H-pyrazolo[4,3-c][1,5]benzodiazocine-4,10(5H,11H)-dione","","CN1C2=C(C=NN2C)C(=O)NC3=CC=CC=C3C1=O","GFFLNUURJBUYHP-UHFFFAOYSA-N","362133",NA,"PDBC07229","625709","Present"
-"1,11-Dimethyl-4-(2-morpholin-4-ylethyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8-trione;hydrochloride","","","","","","","","","","","","","","","","","","","","7,9-dimethyl-2-[2-(morpholin-4-yl)-ethyl]-4,7-ethano-1H-...","","CC1CC2(CC(=O)C1C3C2C(=O)N(C3=O)CCN4CCOCC4)C.Cl","BFZTWSFITXTXQF-UHFFFAOYSA-N","24205637",NA,"PDBC07230","736303","Present"
-"1,12-Dipropyl-2,6,7,11-tetramethoxy-4,9-dihydroxyperylene-3,10-dione","","","","","","","","","","","","","","","","","","","","1,12-Dipropyl-2,6,7,11-tetramethoxy-4,9-dihydroxyperylene-3,10-dione","","CCCC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CCC","ZLOIRWUYTFCIAW-UHFFFAOYSA-N","3701764",NA,"PDBC07231","693561","Present"
-"1,13,14-Tetrakis(p-tolyl)-15-thiatetracyclo[10.2.1.02,110 .4,9]pentadeca-4,6,8,13-tetraene-3,10-dione S-oxide","","","","","","","","","","","","","","","","","","","","1,12,13,14-Tetrakis(p-tolyl)-15-thiatetracyclo[10.2.1.02...","","CC1=CC=C(C=C1)C2=C(C3(C4C(C2(S3=O)C5=CC=C(C=C5)C)C(=O)C6=CC=CC=C6C4=O)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C","MGXHAKKVALRCIU-UHFFFAOYSA-N","24205272",NA,"PDBC07232","734878","Present"
-"1,13-Azo-6H-2,5,9,12-benzotetrathiacyclopentadecin, 3,4,7,8,10,11-hexahydro-","","","","","","","","","","","","","","","","","","","","2,5,9,12-Tetrathia-20,21-diazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene","","C1CSCCSC2=NN=C(C3=CC=CC=C32)SCCSC1","MUJRDKQOTLHNFE-UHFFFAOYSA-N","382159",NA,"PDBC07233","669607","Present"
-"1,13-Diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;2-hydroxy-2-phenylacetic acid","","","","","","","","","","","","","","","","","","","","1,13-Diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;2-hydroxy-2-phenylacetic acid","","CCC1C2CC3=C(C1(CCN2C)CC)C=C(C=C3)O.C1=CC=C(C=C1)C(C(=O)O)O","LFCDVWUIVQLIDW-UHFFFAOYSA-N","266438",NA,"PDBC07234","104154","Present"
-"1,13-Dioxacyclotetracosane-2,14-dione","","","","","","","","","","","","","","","","","","","","NZFJRMSIUKQTOC-UHFFFAOYSA-N","","C1CCCCCOC(=O)CCCCCCCCCCOC(=O)CCCC1","NZFJRMSIUKQTOC-UHFFFAOYSA-N","364911",NA,"PDBC07235","631799","Present"
-"1,14-Dibenzoylcardiopetaline","","","","","","","","","","","","","","","","","","","","1,14-Dibenzoylcardiopetaline","","CCN1CC2(CCC(C34C2CC(C31)C5(CCC6CC4C5C6OCC7=CC=CC=C7)O)OCC8=CC=CC=C8)C","MMQFJHNBGAFZRG-GCBWMSRXSA-N","6712178",NA,"PDBC07236","658004","Present"
-"1,15,17,17-Tetra(1-aziridinyl)-2,5,8,11,14-pentaoxa-16,18,19-triaza-1lambda~5~,15lambda~5~,17lambda~5~-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene","","","","","","","","","","","","","","","","","","","","1,15,17,17-Tetrakis(aziridin-1-yl)-2,5,8,11,14-pentaoxa-16,18,19-triaza-1lambda5,15lambda5,17lambda5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene","","C1CN1P2(=NP3(=NP(=N2)(OCCOCCOCCOCCO3)N4CC4)N5CC5)N6CC6","BBNBPOLLQVUEKH-UHFFFAOYSA-N","388208",NA,"PDBC07237","682802","Present"
-"1,17beta-Triacetoxy-3-methylestra-1,3,5(10)-triene","","","","","","","","","","","","","","","","","","","","1,4,17.beta.-Triacetoxy-3-methylestra-1,3,5(10)-triene","","CC1=CC(=C2C3CCC4(C(C3CCC2=C1OC(=O)C)CCC4OC(=O)C)C)OC(=O)C","YLHBMGOWYGSWKI-CWXCUBLKSA-N","386119",NA,"PDBC07238","677751","Present"
-"1,17beta-Triacetoxy-4-methylestra-1,3,5(10)-triene","","","","","","","","","","","","","","","","","","","","1,3,17.beta.-Triacetoxy-4-methylestra-1,3,5(10)-triene","","CC1=C2CCC3C(C2=C(C=C1OC(=O)C)OC(=O)C)CCC4(C3CCC4OC(=O)C)C","LAUVHTWXNNJJDJ-PPIKLBLRSA-N","386118",NA,"PDBC07239","677750","Present"
-"1,2 Benzo-8-(1-hydroxy-2-methylamino propane)-3-phenoxazone","","","","","","","","","","","","","","","","","","","","1,2 Benzo-8-(1-hydroxy-2-methylamino propane)-3-phenoxazone","","CC(C(C1=CC2=C(C=C1)OC3=CC(=O)C4=CC=CC=C4C3=N2)O)NC","BWHXJQNOJRJGNB-UHFFFAOYSA-N","400530",NA,"PDBC07240","712572","Present"
-"1,2'-(3,5,6-Trimethyl-p-benzoquinone)]ethane","","","","","","","","","","","","","","","","","","","","1,1-Bis[2,2'-(3,5,6-trimethyl-p-benzoquinone)]ethane","","CC1=C(C(=O)C(=C(C1=O)C)C(C)C2=C(C(=O)C(=C(C2=O)C)C)C)C","LSUOWVPYLVRBHX-UHFFFAOYSA-N","45028336",NA,"PDBC07241","742248","Present"
-"1,2'-Spirobiindane-1',3'-dione","","","","","","","","","","","","","","","","","","","","1,2'-Spirobiindane-1',3'-dione","","C1CC2(C3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O","SVURPRPILSVOQG-UHFFFAOYSA-N","360665",NA,"PDBC07242","622983","Present"
-"1,2,2,3,3-Pentacyanocyclopropanecarboxamide","","","","","","","","","","","","","","","","","","","","1,2,2,3,3-Pentacyanocyclopropanecarboxamide","","C(#N)C1(C(C1(C#N)C(=O)N)(C#N)C#N)C#N","HNSXQFFRUCIHGN-UHFFFAOYSA-N","394323",NA,"PDBC07243","697692","Present"
-"1,2,3,10-Tetrahydrocyclopenta[c][1,8]phenanthrolin-11-one","","","","","","","","","","","","","","","","","","","","6H-Cyclopenta[c][1,8]phenanthrolin-6-one, 5,7,8,9-tetrah...","","C1CC2=C(C1)C(=O)NC3=C2C=CC4=C3C=CN=C4","MXLQFLFNRRWURU-UHFFFAOYSA-N","319904",NA,"PDBC07244","265959","Present"
-"1,2,3,3,4,5,6,6,7,8,9,9-Dodecachlorocyclopenta[e]-as-indacene","","","","","","","","","","","","","","","","","","","","1,2,3,3,4,5,6,6,7,8,9,9-Dodecachlorocyclopenta[e]-as-indacene","","C12=C3C(=C4C(=C1C(C(=C2Cl)Cl)(Cl)Cl)C(=C(C4(Cl)Cl)Cl)Cl)C(=C(C3(Cl)Cl)Cl)Cl","QTVPOBBIHPCNRO-UHFFFAOYSA-N","373771",NA,"PDBC07245","650733","Present"
-"1,2,3,3a,4,4a,9,9a,10,10Aalpha-Decahydro-3beta,4alpha,10alpha-triacetoxy-9aalpha-(acetoxymethyl)-1beta-(benzoyloxy)-2beta,4aalpha,6-trimethylcyclopenta[b]fluorene-3abeta,5-diol","","","","","","","","","","","","","","","","","","","","[(1S,2R,3R,3As,4R,4aR,9aR,10R,10aR)-3,4,10-triacetyloxy-9a-(acetyloxymethyl)-3a,5-dihydroxy-2,4a,6-trimethyl-2,3,4,9,10,10a-hexahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate","","CC1C(C2C(C3(CC4=C(C3(C(C2(C1OC(=O)C)O)OC(=O)C)C)C(=C(C=C4)C)O)COC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5","YAOAPRDDGPBSKP-GTFMBRODSA-N","390630",NA,"PDBC07246","688232","Present"
-"1,2,3,3a,4,5,6,10c-Octahydrocyclopenta[c]carbazole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","1,2,3,3a,4,5,6,10c-Octahydrocyclopenta[c]carbazole-4-carboxylic acid","","C1CC2C(C1)C3=C(CC2C(=O)O)NC4=CC=CC=C43","KLONMZIUAZJRTF-UHFFFAOYSA-N","373650",NA,"PDBC07247","650370","Present"
-"1,2,3,4,4a,5,10,10a-Octahydropyrazino[2,3-b]quinoxaline-2,3-diol","","","","","","","","","","","","","","","","","","","","1,2,3,4,4a,5,10,10a-Octahydropyrazino[2,3-b]quinoxaline-2,3-diol","","C1=CC=C2C(=C1)NC3C(N2)NC(C(N3)O)O","SYZXURCOZMCEHB-UHFFFAOYSA-N","381081",NA,"PDBC07248","667233","Present"
-"1,2,3,4,5,5a,6,7,8,9-Decahydro-12H-acridino[10',4a':1,2]imidazo[4,5-b]phenazine","","","","","","","","","","","","","","","","","","","","2,6,13,17-Tetrazaheptacyclo[15.12.0.01,25.03,16.05,14.07,12.018,23]nonacosa-3,5,7,9,11,13,15,18(23)-octaene","","C1CCC23C(C1)CC4=C(N2C5=CC6=NC7=CC=CC=C7N=C6C=C5N3)CCCC4","BSJLSFWYKYFOKC-UHFFFAOYSA-N","378784",NA,"PDBC07249","661960","Present"
-"1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18,21,22,23,24,25,26,27,28-Tetracosahydrocyclodeca[b]dicyclodeca[5,6]pyrazino[2,3-f:2,3-h]quinoxaline","","","","","","","","","","","","","","","","","","","","3,14,17,28,31,42-Hexazaheptacyclo[28.12.0.02,15.04,13.016,29.018,27.032,41]dotetraconta-1(42),2,4(13),14,16,18(27),28,30,32(41)-nonaene","","C1CCCCC2=C(CCC1)N=C3C4=NC5=C(CCCCCCCC5)N=C4C6=NC7=C(CCCCCCCC7)N=C6C3=N2","RFMOIAFKMSHPDR-UHFFFAOYSA-N","363969",NA,"PDBC07250","629580","Present"
-"1,2,3,4,6-Pentagalloyl glucose","","","","","","","","","","","","","","","","","","","",".beta-Penta-O-galloyl-D-glucose","","C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O","QJYNZEYHSMRWBK-UHFFFAOYSA-N","374874",NA,"PDBC07251","653410","Present"
-"1,2,3,4-Cyclobutanetetracarboxylic acid","","","","","","","","","","","","","","","","","","","","NSC131453","","C1(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O","CURBACXRQKTCKZ-UHFFFAOYSA-N","266034",NA,"PDBC07252","131453","Present"
-"1,2,3,4-Tetrafluoro-5H-benzimidazo[1,2-a][3,1]benzothiazine","","","","","","","","","","","","","","","","","","","","1,2,3,4-Tetrafluoro-5H-benzimidazo[1,2-a][3,1]benzothiazine","","C1C2=C(C(=C(C(=C2F)F)F)F)N3C4=CC=CC=C4N=C3S1","KVSQKCGNXBDOJA-UHFFFAOYSA-N","383502",NA,"PDBC07253","671887","Present"
-"1,2,3,4-Tetrahydro-2,4-dioxo-6-methyl-N-[1-(hydroxymethyl)-2-[[(methylsulfinyl)methyl]sulfinyl]ethyl]-5-pyrimidineacrylamide","","","","","","","","","","","","","","","","","","","","2-Propenamide, N-[1-(hydroxymethyl)-2-[[(methylsulfinyl)...","","CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CS(=O)C","ZIMCIWWBWLSQCN-ONEGZZNKSA-N","6066399",NA,"PDBC07254","251819","Present"
-"1,2,3,4-Tetrahydronaphthalene-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","tetrahydronaphthal","","C1CC(C2=CC=CC=C2C1)C=O","ZXDOJLXKYNWBMK-UHFFFAOYSA-N","366956",NA,"PDBC07255","636118","Present"
-"1,2,3,4-Tetrahydropyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","STL468855","","C1CN2C(=NC3=CC=CC=C32)CN1","CVGPZQMGLKRVJV-UHFFFAOYSA-N","395901",NA,"PDBC07256","700996","Present"
-"1,2,3,4-Tetrahydropyrimido[1,6-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1,2,3,4-Tetrahydropyrimido[1,6-a]benzimidazole","","C1CNCN2C1=NC3=CC=CC=C32","SPYWPBUKSUQXDS-UHFFFAOYSA-N","395904",NA,"PDBC07257","700999","Present"
-"1,2,3,4-Tetrahydroquinolin-8-ol","","","","","","","","","","","","","","","","","","","","KSC174Q0B","","C1CC2=C(C(=CC=C2)O)NC1","WYKWUPMZBGOFOV-UHFFFAOYSA-N","241490",NA,"PDBC07258","48890","Present"
-"1,2,3,4-Tetrahydroquinoxalin-6-amine","","","","","","","","","","","","","","","","","","","","0199AC","","C1CNC2=C(N1)C=CC(=C2)N","HNWOXIYAKHJJIM-UHFFFAOYSA-N","241506",NA,"PDBC07259","48956","Present"
-"1,2,3,4-Tetramethoxy-5-methyl-6-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzene","","","","","","","","","","","","","","","","","","","","1,2,3,4-Tetramethoxy-5-methyl-6-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzene","","CC1=C(C(=C(C(=C1OC)OC)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)C","XUKZWFXRDDPNAW-XHGFWWIISA-N","5469373",NA,"PDBC07260","687146","Present"
-"1,2,3,4-Tetramethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene","","","","","","","","","","","","","","","","","","","","1,2,3,4-Tetramethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene","","CC1=C(C(=C(C(=C1OC)OC)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","XCLJKAVPZDYTBX-BLFWJMSPSA-N","5469372",NA,"PDBC07261","687145","Present"
-"1,2,3,4-Tetramethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]benzene","","","","","","","","","","","","","","","","","","","","1,2,3,4-Tetramethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]benzene","","CC1=C(C(=C(C(=C1OC)OC)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","HNCIOUSIAIAAHK-CEOXUGQOSA-N","5469374",NA,"PDBC07262","687147","Present"
-"1,2,3,4-Tetramethylcyclobutane-1,2,3,4-tetrol","","","","","","","","","","","","","","","","","","","","1,2,3,4-Tetramethylcyclobutane-1,2,3,4-tetrol","","CC1(C(C(C1(C)O)(C)O)(C)O)O","JLNCKMHGDFDWBC-UHFFFAOYSA-N","357622",NA,"PDBC07263","617146","Present"
-"1,2,3,5-Benzothiatriazepine, 8-chloro-2,3-dihydro-7-methyl-4-(4-methylphenyl)-, 1,1-dioxide","","","","","","","","","","","","","","","","","","","","8-Chloro-7-methyl-4-(p-tolyl)-2,3-dihydro-1$l^{6},2,3,5-benzothiatriazepine 1,1-dioxide","","CC1=CC=C(C=C1)C2=NC3=C(C=C(C(=C3)C)Cl)S(=O)(=O)NN2","MJJLUOFZNQJCAN-UHFFFAOYSA-N","384055",NA,"PDBC07264","673180","Present"
-"1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene","","","","","","","","","","","","","","","","","","","","8030AF","","C(C1=C(C(=C(C(=C1Cl)Cl)Cl)CCl)Cl)Cl","YDNRGDROSRCQRU-UHFFFAOYSA-N","70809",NA,"PDBC07265","139126","Present"
-"1,2,3,6-Tetramethoxyphenanthro[2,3-d][1,3]dioxole","","","","","","","","","","","","","","","","","","","","1,2,3,6-Tetramethoxyphenanthro[2,3-d][1,3]dioxole","","COC1=CC2=CC(=C3C=C4C(=CC3=C2C(=C1OC)OC)OCO4)OC","VEMAQVIELLSCKY-UHFFFAOYSA-N","372801",NA,"PDBC07266","648424","Present"
-"1,2,3,8-Tetrabromo-5,6-dichloroacenaphthylene","","","","","","","","","","","","","","","","","","","","1,2,3,8-Tetrabromo-5,6-dichloroacenaphthylene","","C1=C(C2=C3C(=C1Br)C(=C(C3=C(C=C2Cl)Br)Br)Br)Cl","VVKJNAVPBDWOPB-UHFFFAOYSA-N","393213",NA,"PDBC07267","694701","Present"
-"1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol","","","","","","","","","","","","","","","","","","","","Vasicine","","C1CN2CC3=CC=CC=C3N=C2C1O","YIICVSCAKJMMDJ-UHFFFAOYSA-N","72610",NA,"PDBC07268","685523","Present"
-"1,2,3-Benzodithiazol-4-ylidene(ethyl)oxidanium;chloride","","","","","","","","","","","","","","","","","","","","1,2,3-Benzodithiazol-4-ylidene(ethyl)oxidanium;chloride","","CC[O+]=C1C=CC=C2C1=NSS2.[Cl-]","BGRFWJPKIABOJD-UHFFFAOYSA-M","359770",NA,"PDBC07269","621341","Present"
-"1,2,3-Benzodithiazol-4-ylidene(methyl)oxidanium;chloride","","","","","","","","","","","","","","","","","","","","1,2,3-Benzodithiazol-4-ylidene(methyl)oxidanium;chloride","","C[O+]=C1C=CC=C2C1=NSS2.[Cl-]","TZZYYMNTLSMEBH-UHFFFAOYSA-M","359772",NA,"PDBC07270","621342","Present"
-"1,2,3-Benzotriazin-4-yl methyl sulfide","","","","","","","","","","","","","","","","","","","","AK-830/13217005","","CSC1=NN=NC2=CC=CC=C21","BEZAACQRPPJFMJ-UHFFFAOYSA-N","226882",NA,"PDBC07271","17809","Present"
-"1,2,3-Tribenzylguanidine","","","","","","","","","","","","","","","","","","","","1,2,3-Tribenzylguanidine","","C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)NCC3=CC=CC=C3","CRQXNVPOHIITIU-UHFFFAOYSA-N","33144",NA,"PDBC07272","20644","Present"
-"1,2,3-Tribenzyloxy-5-[(4-methoxyphenyl)sulfanylmethyl]benzene","","","","","","","","","","","","","","","","","","","","1,2,3-Tribenzyloxy-5-[(4-methoxyphenyl)sulfanylmethyl]benzene","","COC1=CC=C(C=C1)SCC2=CC(=C(C(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","YYTRAZJQTXGLGY-UHFFFAOYSA-N","384132",NA,"PDBC07273","673419","Present"
-"1,2,3-Trichloro-4,6-dinitrobenzene","","","","","","","","","","","","","","","","","","","","vancide pb","","C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-]","WUMOEIUPWHYXBM-UHFFFAOYSA-N","22875",NA,"PDBC07274","68092","Present"
-"1,2,3-Triethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate","","","","","","","","","","","","","","","","","","","","1,2,3-Triethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate","","","","",NA,"PDBC07275","664860","Present"
-"1,2,3-Trimethoxy-5-(((4-methoxybenzyl)thio)methyl)benzene","","","","","","","","","","","","","","","","","","","","1,2,3-Trimethoxy-5-(((4-methoxybenzyl)thio)methyl)benzene","","COC1=CC=C(C=C1)CSCC2=CC(=C(C(=C2)OC)OC)OC","KYSBUCCQWHLVPG-UHFFFAOYSA-N","384142",NA,"PDBC07276","673429","Present"
-"1,2,3-Trimethoxy-5-(4-methoxybenzyl)benzene","","","","","","","","","","","","","","","","","","","","(4-Methoxyphenyl)-(3,4,5-trimethoxyphenyl)methane","","COC1=CC=C(C=C1)CC2=CC(=C(C(=C2)OC)OC)OC","QQEICWBYUTVTEA-UHFFFAOYSA-N","368141",NA,"PDBC07277","638484","Present"
-"1,2,3-Trimethoxy-5-(alpha-methyl-4-methoxybenzyl)benzene","","","","","","","","","","","","","","","","","","","","NSC791946","","CC(C1=CC=C(C=C1)OC)C2=CC(=C(C(=C2)OC)OC)OC","FOGHUTAYYYUZRJ-UHFFFAOYSA-N","44538571",NA,"PDBC07278","791946","Present"
-"1,2,3-Trimethoxy-5-[(4-methoxyphenyl)sulfinylmethyl]benzene","","","","","","","","","","","","","","","","","","","","1,2,3-Trimethoxy-5-{[(4-methoxyphenyl)sulfinyl]methyl}benzene","","COC1=CC=C(C=C1)S(=O)CC2=CC(=C(C(=C2)OC)OC)OC","OJNPZDZABXDOEE-UHFFFAOYSA-N","383388",NA,"PDBC07279","671559","Present"
-"1,2,3-Trimethoxy-5-[(E)-2-(4-propoxyphenyl)ethenyl]benzene","","","","","","","","","","","","","","","","","","","","(E)3,4,5-Trimethoxy-4'-(1-propoxy)stilbene","","CCCOC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","XJXIXACLJGGNEX-VOTSOKGWSA-N","5388748",NA,"PDBC07280","638403","Present"
-"1,2,3-Trimethoxy-5-[(E)-2-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene","","","","","","","","","","","","","","","","","","","","Benzene, 5,5'-[(1,4-phenylene)bis (2,1-ethenediyl)]bis[1...","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC","GYBCOHLPFDSXRN-PHEQNACWSA-N","5387813",NA,"PDBC07281","627651","Present"
-"1,2,3-Trimethoxy-5-[(Z)-2-(4-methylsulfanylphenyl)ethenyl]benzene","","","","","","","","","","","","","","","","","","","","z-1-(4-methylthio-2-(3,4,5-trimethoxyphenyl)ethene","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)SC","MBPCWAWSQVINQF-WAYWQWQTSA-N","5467340",NA,"PDBC07282","650773","Present"
-"1,2,3-Trimethoxy-5-[(Z)-2-(4-propoxyphenyl)ethenyl]benzene","","","","","","","","","","","","","","","","","","","","(Z)3,4,5-Trimethoxy-4'-(1-propoxy)stilbene","","CCCOC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","XJXIXACLJGGNEX-SREVYHEPSA-N","5388747",NA,"PDBC07283","638402","Present"
-"1,2,3-Trimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene","","","","","","","","","","","","","","","","","","","","5-[2-(4-methoxyphenyl)ethyl]-1,2,3-trimethoxybenzene","","COC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC","AQBXGPHZDHQKJU-UHFFFAOYSA-N","364708",NA,"PDBC07284","631366","Present"
-"1,2,3-Trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene","","","","","","","","","","","","","","","","","","","","1,2,3-Trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene","","COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C(=C(C=C3C=C2)OC)OC)OC","HGKHSTXOENHPFT-UHFFFAOYSA-N","298141",NA,"PDBC07285","170006","Present"
-"1,2,3-Trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yl acetate","","","","","","","","","","","","","","","","","","","","1,2,3-Trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yl acetate","","CC(=O)OC1=C2C=C3C(=CC2=C4C(=C1)C=C(C(=C4OC)OC)OC)OCO3","CRVGLGHCTLVKNY-UHFFFAOYSA-N","372797",NA,"PDBC07286","648420","Present"
-"1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate","","","","","","","","","","","","","","","","","","","","1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate","","","","",NA,"PDBC07287","664859","Present"
-"1,2,3-Trimethyl-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate","","","","","","","","","","","","","","","","","","","","1,2,3-Trimethyl-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate","","","","",NA,"PDBC07288","664863","Present"
-"1,2,3-Triphenyl-2,3,8,8a-tetrahydrocyclopenta[a]indene-3,3a,8(1H)-triol","","","","","","","","","","","","","","","","","","","","1,2,3-Triphenyl-2,3,8,8a-tetrahydrocyclopenta[a]indene-3,3a,8(1H)-triol","","C1=CC=C(C=C1)C2C3C(C4=CC=CC=C4C3(C(C2C5=CC=CC=C5)(C6=CC=CC=C6)O)O)O","QWYCALYVYWPWLT-UHFFFAOYSA-N","361802",NA,"PDBC07289","625123","Present"
-"1,2,3-Triphenyl-2-propanol","","","","","","","","","","","","","","","","","","","","1,2,3-Triphenyl-2-propanol","","C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C3=CC=CC=C3)O","LPKALOWBSKZKPT-UHFFFAOYSA-N","231530",NA,"PDBC07290","27932","Present"
-"1,2,4,5-Benzenetetramine hydrochloride","","","","","","","","","","","","","","","","","","","","1,2,4,5-Tetraaminobenzene tetrahydrochloride","","C1=C(C(=CC(=C1N)N)N)N.Cl","NZLYXIUDQUBQGU-UHFFFAOYSA-N","381091",NA,"PDBC07291","118095","Present"
-"1,2,4,5-Tetrabromo-1,5-diphenyl-3-pentanone","","","","","","","","","","","","","","","","","","","","STL367800","","C1=CC=C(C=C1)C(C(C(=O)C(C(C2=CC=CC=C2)Br)Br)Br)Br","YQZQHNNMRZCOOF-UHFFFAOYSA-N","272617",NA,"PDBC07292","117232","Present"
-"1,2,4,5-Tetrazinane-3,6-dithione","","","","","","","","","","","","","","","","","","","","Dithio-p-urazine","","C1(=S)NNC(=S)NN1","HHSAQSIIYVKIOL-UHFFFAOYSA-N","2795393",NA,"PDBC07293","674349","Present"
-"1,2,4,5-Tetrazine, 3,6-bis(1-azetidinyl)-","","","","","","","","","","","","","","","","","","","","1,2,4,5-tetrazine, 3,6-bis(1-azetidinyl)-","","C1CN(C1)C2=NN=C(N=N2)N3CCC3","UNJZINWIGXRJHA-UHFFFAOYSA-N","362170",NA,"PDBC07294","625748","Present"
-"1,2,4,5-Tetrazine-3,6-diylbis(phenylmethanone)","","","","","","","","","","","","","","","","","","","","1,2,4,5-Tetrazine-3,6-diylbis(phenylmethanone)","","C1=CC=C(C=C1)C(=O)C2=NN=C(N=N2)C(=O)C3=CC=CC=C3","FZZXVLFGIDSYHO-UHFFFAOYSA-N","283962",NA,"PDBC07295","139235","Present"
-"1,2,4-Benzotriazine, 1,4-dioxide","","","","","","","","","","","","","","","","","","","","SR 4482","","C1=CC=C2C(=C1)N(N=C[N+]2=O)[O-]","GTLQQCMKADHZLK-UHFFFAOYSA-N","358960",NA,"PDBC07296","619147","Present"
-"1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene-5-carbonitrile, octahydro-7-oxo-5-[(trimethylsilyl)oxy]-","","","","","","","","","","","","","","","","","","","","11-Oxo-8-trimethylsilyloxypentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbonitrile","","C[Si](C)(C)OC1(C2C3CC4C2C(=O)C5C4C3C51)C#N","ZCCRPVHENVEXOD-UHFFFAOYSA-N","362201",NA,"PDBC07297","625800","Present"
-"1,2,4-Tri(2-furyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","1,2,4-Tri(2-furyl)-1,4-butanedione","","C1=COC(=C1)C(CC(=O)C2=CC=CO2)C(=O)C3=CC=CO3","DKSSPFGHIGDEPL-UHFFFAOYSA-N","395527",NA,"PDBC07298","700217","Present"
-"1,2,4-Tri(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","1,2,4-Tri(3-thienyl)-1,4-butanedione","","C1=CSC=C1C(CC(=O)C2=CSC=C2)C(=O)C3=CSC=C3","CIROEDSBLJCTER-UHFFFAOYSA-N","376712",NA,"PDBC07299","657758","Present"
-"1,2,4-Triazole-3,4,5-triamine hydrobromide","","","","","","","","","","","","","","","","","","","","guanazine, monohydrobromide (8ci)","","C1(=NN=C(N1N)N)N.Br","UARPWFDEZDUELW-UHFFFAOYSA-N","459484",NA,"PDBC07300","1936","Present"
-"1,2,4-Triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","urazol","","C1(=O)NC(=O)NN1","UDATXMIGEVPXTR-UHFFFAOYSA-N","72916",NA,"PDBC07301","1892","Present"
-"1,2,4-Triazolidine-3,5-dione, 4-(1,1-dimethylethyl)-1,2-bis(trichloroacetyl)-","","","","","","","","","","","","","","","","","","","","1,2,4-Triazolidine-3,5-dione, 4-(1,1-dimethylethyl)-1,2-bis(trichloroacetyl)-","","CC(C)(C)N1C(=O)N(N(C1=O)C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl","ZRNCDPQSOKHHFI-UHFFFAOYSA-N","384605",NA,"PDBC07302","674617","Present"
-"1,2,4-Triazolidine-3,5-dione, 4-(4-chlorophenyl)-1,2-bis(trichloroacetyl)-","","","","","","","","","","","","","","","","","","","","1,2,4-Triazolidine-3,5-dione, 4-(4-chlorophenyl)-1,2-bis(trichloroacetyl)-","","C1=CC(=CC=C1N2C(=O)N(N(C2=O)C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl)Cl","BFMXGJBABMNUCT-UHFFFAOYSA-N","384604",NA,"PDBC07303","674616","Present"
-"1,2,4-Trichloro-3,5-dinitrobenzene","","","","","","","","","","","","","","","","","","","","olpizan","","C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]","OFMRACCIIIDSDN-UHFFFAOYSA-N","17584",NA,"PDBC07304","5278","Present"
-"1,2,4-Trimethyl-6-[(phenylthio)methyl]quinoline, hydrochloride","","","","","","","","","","","","","","","","","","","","1,2-Dihydro-2,2,4-trimethyl-6-[(phenylthio)methyl]quinol...","","CC1=CC(NC2=C1C=C(C=C2)CSC3=CC=CC=C3)(C)C.Cl","VJAZSWIOHHBTHP-UHFFFAOYSA-N","24199429",NA,"PDBC07305","327447","Present"
-"1,2,4-Triphenyl-1H-imidazole","","","","","","","","","","","","","","","","","","","","1,2,4-triphenyl imidazole","","C1=CC=C(C=C1)C2=CN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4","NOQONXWBCSGVGF-UHFFFAOYSA-N","10685368",NA,"PDBC07306","744759","Present"
-"1,2,4-Trithiolane 1-oxide","","","","","","","","","","","","","","","","","","","","1-Oxo-1,2,4-trithiolane","","C1SCS(=O)S1","HBKXTGFWWYWFAQ-UHFFFAOYSA-N","360182",NA,"PDBC07307","622153","Present"
-"1,2,4-Trithiolane 4-oxide","","","","","","","","","","","","","","","","","","","","4-Oxo-1,2,4-trithiolane","","C1SSCS1=O","KZEBDBHBXISRMG-UHFFFAOYSA-N","360183",NA,"PDBC07308","622154","Present"
-"1,2,5,6-Tetrahydro-1,1-dimethyl-4-morpholinopyridinium iodide","","","","","","","","","","","","","","","","","","","","LS-132958","","C[N+]1(CCC(=CC1)N2CCOCC2)C.[I-]","XVMUWGFKJKTYHU-UHFFFAOYSA-M","377674",NA,"PDBC07309","659254","Present"
-"1,2,5,6-Tetrathiocine","","","","","","","","","","","","","","","","","","","","1,2,5,6-Tetrathiocine","","C1=CSSC=CSS1","PGXAKLXGJRBXPM-LOKDLIDFSA-N","5470145",NA,"PDBC07310","698126","Present"
-"1,2,5-Triphenyl-1H-phosphole 1-oxide","","","","","","","","","","","","","","","","","","","","1,2,5-Triphenyl-1H-phosphole 1-oxide","","C1=CC=C(C=C1)C2=CC=C(P2(=O)C3=CC=CC=C3)C4=CC=CC=C4","RYKNOWKNGHQFBI-UHFFFAOYSA-N","386461",NA,"PDBC07311","678490","Present"
-"1,2,5-Triphenylpentane-1,5-dione","","","","","","","","","","","","","","","","","","","","1,2,5-Triphenylpentane-1,5-dione","","C1=CC=C(C=C1)C(CCC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","HKGOVXWRWWAJDE-UHFFFAOYSA-N","286676",NA,"PDBC07312","145219","Present"
-"1,2,5-Triphenylphospholane 1-oxide","","","","","","","","","","","","","","","","","","","","1,2,5-Triphenylphospholane 1-oxide","","C1CC(P(=O)(C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","YSMZAYVFDLZNBM-UHFFFAOYSA-N","380783",NA,"PDBC07313","666494","Present"
-"1,2,7,8,9,10-Hexahydro-6H-[1]benzothieno[2',3':4,5]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one","","","","","","","","","","","","","","","","","","","","17-Thia-2,4,5,7,8-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,11(16)-tetraen-9-one","","C1CCC2=C(C1)C3=C(S2)N=C4NN=CNN4C3=O","BESIREPWHIXBGG-UHFFFAOYSA-N","387515",NA,"PDBC07314","681326","Present"
-"1,2,7-Trimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol","","","","","","","","","","","","","","","","","","","","1,2,7-Trimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol","","CC1=CC2=C(C=C1)C=CC(=C2C)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]","AHJJMWHYRGXIEJ-UHFFFAOYSA-N","271872",NA,"PDBC07315","115855","Present"
-"1,2,9,10-Tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylic acid 2-bromoethyl ester","","","","","","","","","","","","","","","","","","","","2-Bromoethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylate","","COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3C(=O)OCCBr","QZMGFOFUOZRZCK-UHFFFAOYSA-N","374932",NA,"PDBC07316","653546","Present"
-"1,2,9,11-Tetrazatetracyclo[8.7.0.03,7.012,17]heptadeca-2,10,12,14,16-pentaen-8-one","","","","","","","","","","","","","","","","","","","","1,2,9,11-Tetrazatetracyclo[8.7.0.03,7.012,17]heptadeca-2,10,12,14,16-pentaen-8-one","","C1CC2C(=NN3C4=CC=CC=C4N=C3NC2=O)C1","JNGXXUZKGRHYRO-UHFFFAOYSA-N","363946",NA,"PDBC07317","629480","Present"
-"1,2-Benzenediol, 3,3'-dithiobis[4,6-bis(1,1-dimethylethyl)-","","","","","","","","","","","","","","","","","","","","1,2-Benzenediol, 3,3'-dithiobis[4,6-bis(1,1-dimethylethyl)-","","CC(C)(C)C1=CC(=C(C(=C1O)O)SSC2=C(C=C(C(=C2O)O)C(C)(C)C)C(C)(C)C)C(C)(C)C","CAACFDDSLRAMQW-UHFFFAOYSA-N","398521",NA,"PDBC07318","708432","Present"
-"1,2-Benzenediol, 3-(aminomethyl)-, hydriodide","","","","","","","","","","","","","","","","","","","","1,2-Benzenediol, 3-(aminomethyl)-, hydriodide","","C1=CC(=C(C(=C1)O)O)CN.I","OADXMDCEXWFJFB-UHFFFAOYSA-N","157300",NA,"PDBC07319","329100","Present"
-"1,2-Benzenedithiol","","","","","","","","","","","","","","","","","","","","1,2-Benzenedithiol","","C1=CC=C(C(=C1)S)S","JRNVQLOKVMWBFR-UHFFFAOYSA-N","69370",NA,"PDBC07320","623558","Present"
-"1,2-Benzenetriol, 5-(aminomethyl)-, hydriodide","","","","","","","","","","","","","","","","","","","","1,2,3-Benzenetriol, 5-(aminomethyl)-, hydriodide","","C1=C(C=C(C(=C1O)O)O)CN.I","APSVXFLUUQVMCZ-UHFFFAOYSA-N","157299",NA,"PDBC07321","329094","Present"
-"1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo-","","","","","","","","","","","","","","","","","","","","AK-60394","","C1=CC=C2C(=C1)C(=O)OI2C#N","AOTJNSUBRSAHHW-UHFFFAOYSA-N","390370",NA,"PDBC07322","687712","Present"
-"1,2-Benzisothiazole-2(3H)-propanoic acid, 6-[(carboxycarbonyl)amino]-3-oxo-, ethyl ester, 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-[[2-(3-Ethoxy-3-oxo-propyl)-1,1,3-trioxo-1,2-benzothiazol-6-yl]amino]-2-oxo-acetic acid","","CCOC(=O)CCN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)NC(=O)C(=O)O","VBVYAQFNNQOKAB-UHFFFAOYSA-N","393589",NA,"PDBC07323","695660","Present"
-"1,2-Benzo-8-(2-aminoethyl)-3-phenoxazone","","","","","","","","","","","","","","","","","","","","1,2-Benzo-8-(2-aminoethyl)-3-phenoxazone","","C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CCN","PLBZJWKDDGNTJA-UHFFFAOYSA-N","359305",NA,"PDBC07324","620055","Present"
-"1,2-Benzo-8-(D-alanyl)-3-phenoxazone nitrate","","","","","","","","","","","","","","","","","","","","1,2-Benzo-8-(D-alanyl)-3-phenoxazone nitrate","","C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CC(C(=O)O)N.[N+](=O)(O)[O-]","BNIGYSSWARYXFF-BTQNPOSSSA-N","461805",NA,"PDBC07325","672426","Present"
-"1,2-Benzo-8-(L-alanyl)-3-phenoxazone nitrate salt","","","","","","","","","","","","","","","","","","","","1,2-Benzo-8-(L-alanyl)-3-phenoxazone nitrate salt","","C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CC(C(=O)O)N.[N+](=O)(O)[O-]","BNIGYSSWARYXFF-ZOWNYOTGSA-N","24202491",NA,"PDBC07326","672425","Present"
-"1,2-Benzothiazolin-3-one, 6-methyl-","","","","","","","","","","","","","","","","","","","","LS-33601","","CC1=CC2=C(C=C1)C(=O)NS2","MKOBQYYGSDGUMU-UHFFFAOYSA-N","96023",NA,"PDBC07327","48653","Present"
-"1,2-Bis((4-bromophenyl)((phenylthio)imino)methyl)diazene","","","","","","","","","","","","","","","","","","","","1,2-Bis((4-bromophenyl)((phenylthio)imino)methyl)diazene","","C1=CC=C(C=C1)SN=C(C2=CC=C(C=C2)Br)N=NC(=NSC3=CC=CC=C3)C4=CC=C(C=C4)Br","AYOXAZWANWHRNU-KWTHTQBOSA-N","9571634",NA,"PDBC07328","692653","Present"
-"1,2-Bis(1-(7-chloroquinazolin-4-yl)piperidin-4-yl)ethane","","","","","","","","","","","","","","","","","","","","7-Chloro-4-(4-(2-(1-(7-chloro-4-quinazolinyl)-4-piperidinyl)ethyl)-1-piperidinyl)quinazoline","","C1CN(CCC1CCC2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl)C5=NC=NC6=C5C=CC(=C6)Cl","CTANXOBLOROWLB-UHFFFAOYSA-N","335083",NA,"PDBC07329","343227","Present"
-"1,2-Bis(1-methyl-1H-benzimidazol-2-yl)ethanol","","","","","","","","","","","","","","","","","","","","1,2-Bis(1-methyl-1H-benzimidazol-2-yl)ethanol","","CN1C2=CC=CC=C2N=C1CC(C3=NC4=CC=CC=C4N3C)O","DXHJCBVZZVOUSN-UHFFFAOYSA-N","314323",NA,"PDBC07330","231643","Present"
-"1,2-Bis(2,5-dichlorophenyl)hydrazine","","","","","","","","","","","","","","","","","","","","Hydrazine, 1,2-bis(2,5-dichlorophenyl)-","","C1=CC(=C(C=C1Cl)NNC2=C(C=CC(=C2)Cl)Cl)Cl","DNZMYLLBWKOXQJ-UHFFFAOYSA-N","296004",NA,"PDBC07331","165765","Present"
-"1,2-Bis(2-Nitrophenoxy)ethane","","","","","","","","","","","","","","","","","","","","7223AB","","C1=CC=C(C(=C1)[N+](=O)[O-])OCCOC2=CC=CC=C2[N+](=O)[O-]","DEHTVRKGDUCXRF-UHFFFAOYSA-N","394580",NA,"PDBC07332","698149","Present"
-"1,2-Bis(2-methoxyphenyl)-1,2-diphenyl-1,2-ethanediol","","","","","","","","","","","","","","","","","","","","1,2-Bis(2-methoxyphenyl)-1,2-diphenyl-1,2-ethanediol","","COC1=CC=CC=C1C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4OC)O)O","CHYBDRLMZGZGPI-UHFFFAOYSA-N","368855",NA,"PDBC07333","640190","Present"
-"1,2-Bis(2-thienylethynyl)benzene","","","","","","","","","","","","","","","","","","","","1,2-Bis(2-thienylethynyl)benzene","","C1=CC=C(C(=C1)C#CC2=CC=CS2)C#CC3=CC=CS3","IPUNNLBAQDLOML-UHFFFAOYSA-N","11380738",NA,"PDBC07334","727177","Present"
-"1,2-Bis(4,5-dichloro-6-oxo-pyridazin-1-yl)ethane-1,2-dione","","","","","","","","","","","","","","","","","","","","1,2-Bis(4,5-dichloro-6-oxopyridazin-1(6H)-yl)ethane-1,2-dione","","C1=NN(C(=O)C(=C1Cl)Cl)C(=O)C(=O)N2C(=O)C(=C(C=N2)Cl)Cl","XFWWQJGRIOCORX-UHFFFAOYSA-N","362212",NA,"PDBC07335","625814","Present"
-"1,2-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene","","","","","","","","","","","","","","","","","","","","1,2-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene","","C1CN=C(N1)C2=CC=CC=C2C3=NCCN3","GJWAFOARYRURQN-UHFFFAOYSA-N","385843",NA,"PDBC07336","677241","Present"
-"1,2-Bis(4-(dimethylamino)phenyl)-N~1~,N~1~,N~2~,N~2~-tetraethyl-1,2-ethanediamine","","","","","","","","","","","","","","","","","","","","1,2-Bis(4-(dimethylamino)phenyl)-N~1~,N~1~,N~2~,N~2~-tetraethyl-1,2-ethanediamine","","CCN(CC)C(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)N(C)C)N(CC)CC","DMVSUWFLIQJFBW-UHFFFAOYSA-N","364661",NA,"PDBC07337","631252","Present"
-"1,2-Bis(4-chlorophenyl)-2-hydroxyethanone","","","","","","","","","","","","","","","","","","","","Benzoin, 4,4'-dichloro-","","C1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)Cl)O)Cl","UCXPESOPEKJXJR-UHFFFAOYSA-N","219286",NA,"PDBC07338","58308","Present"
-"1,2-Bis(4-hydroxyphenoxy)ethane","","","","","","","","","","","","","","","","","","","","ACM24209903","","C1=CC(=CC=C1O)OCCOC2=CC=C(C=C2)O","CLMNUWIUDGZFCN-UHFFFAOYSA-N","247525",NA,"PDBC07339","62372","Present"
-"1,2-Bis(4-methoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","1,2-bis(4-methoxyphenyl)-1H-imidazole","","COC1=CC=C(C=C1)C2=NC=CN2C3=CC=C(C=C3)OC","FYBRCHQDFZRMCM-UHFFFAOYSA-N","11254493",NA,"PDBC07340","734602","Present"
-"1,2-Bis(4-methoxyphenyl)-2-butanol","","","","","","","","","","","","","","","","","","","","1,2-Bis(4-methoxyphenyl)-2-butanol","","CCC(CC1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)O","XGOLDWMWZCJQPE-UHFFFAOYSA-N","377479",NA,"PDBC07341","658945","Present"
-"1,2-Bis(4-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1,2-Bis(4-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione","","CN1C(=O)N(N(C1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC","IOUCDOPSZWUUQD-UHFFFAOYSA-N","391623",NA,"PDBC07342","691109","Present"
-"1,2-Bis(4-methoxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1,2-Bis(4-methoxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione","","COC1=CC=C(C=C1)N2C(=O)N(C(=O)N2C3=CC=C(C=C3)OC)C4=CC=CC=C4","YHNLCRCLYNKSLY-UHFFFAOYSA-N","391627",NA,"PDBC07343","691113","Present"
-"1,2-Bis(4-methoxyphenyl)ethanamine","","","","","","","","","","","","","","","","","","","","1651AE","","COC1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC)N","HKSKSPMTGBSDOR-UHFFFAOYSA-N","112487",NA,"PDBC07344","26669","Present"
-"1,2-Bis(5-(methylthio)-2-thienyl)-1,2-ethanedione","","","","","","","","","","","","","","","","","","","","1,2-Bis(5-(methylthio)-2-thienyl)-1,2-ethanedione","","CSC1=CC=C(S1)C(=O)C(=O)C2=CC=C(S2)SC","SRBQRVICMHODQL-UHFFFAOYSA-N","379093",NA,"PDBC07345","663306","Present"
-"1,2-Bis(9-oxo-9H-fluoren-2-yl)diazene oxide","","","","","","","","","","","","","","","","","","","","1,2-bis(9-oxo-9H-fluoren-2-yl)diazene oxide","","C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N=[N+](C4=CC5=C(C=C4)C6=CC=CC=C6C5=O)[O-]","JSNDZHZWPXDSIA-UHFFFAOYSA-N","224101",NA,"PDBC07346","12363","Present"
-"1,2-Bis(diethoxyphosphoryl)ethane; dichloro(diethyl)stannane","","","","","","","","","","","","","","","","","","","","1,2-Bis(diethoxyphosphoryl)ethane; dichloro(diethyl)stannane","","CCOP(=O)(CCP(=O)(OCC)OCC)OCC.CC[Sn](CC)(Cl)Cl","LYRPCOHMCJESTN-UHFFFAOYSA-L","371346",NA,"PDBC07347","645566","Present"
-"1,2-Bis(p-tolylsulfonylsulfanylmethyl)benzene","","","","","","","","","","","","","","","","","","","","1,2-Bis(p-tolylsulfonylsulfanylmethyl)benzene","","CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC=C2CSS(=O)(=O)C3=CC=C(C=C3)C","UCVRZZCQOGKKAR-UHFFFAOYSA-N","361200",NA,"PDBC07348","624164","Present"
-"1,2-Bis-(5-tetrazolyl)ethane","","","","","","","","","","","","","","","","","","","","1H-Tetrazole, 5,5'-(1,2-ethanediyl)bis- (9CI)","","C(CC1=NNN=N1)C2=NNN=N2","KSCMYJXTGSEZEI-UHFFFAOYSA-N","141316",NA,"PDBC07349","282034","Present"
-"1,2-Bis[(3-amino-9-acridinyl)thio]ethane","","","","","","","","","","","","","","","","","","","","1,2-Bis[(3-amino-9-acridinyl)thio]ethane","","C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)SCCSC4=C5C=CC(=CC5=NC6=CC=CC=C64)N","MRJHDAKEJAELBN-UHFFFAOYSA-N","358254",NA,"PDBC07350","618177","Present"
-"1,2-Bis[3,4-di(undecoxy)phenyl]ethane-1,2-dione","","","","","","","","","","","","","","","","","","","","1,2-Bis[3,4-di(undecoxy)phenyl]ethane-1,2-dione","","CCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C(=O)C2=CC(=C(C=C2)OCCCCCCCCCCC)OCCCCCCCCCCC)OCCCCCCCCCCC","ZJUJVAFSYOEJNW-UHFFFAOYSA-N","369903",NA,"PDBC07351","642194","Present"
-"1,2-Bis[3-(3,4-diacetoxyphenyl)-propenoyloxy]ethane","","","","","","","","","","","","","","","","","","","","1,2-Bis[3-(3,4-diacetoxyphenyl)-propenoyloxy]ethane","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OCCOC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","QETYVBBQYZJOIU-MKICQXMISA-N","5469976",NA,"PDBC07352","695040","Present"
-"1,2-Bis[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine","","","","","","","","","","","","","","","","","","","","1,2-Bis[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine","","CC(C)C1=CC(=NC(=N1)NNC2=NC(=CC(=N2)C(F)(F)F)C(C)C)C(F)(F)F","AKHFOJODMTWXAB-UHFFFAOYSA-N","325823",NA,"PDBC07353","295358","Present"
-"1,2-Bis[[methoxy(methyl)phosphoryl]oxymethyl]-1-methyl-3-(2-methylprop-1-enyl)cyclopropane","","","","","","","","","","","","","","","","","","","","1,2-Bis[(methoxy-methyl-phosphoryl)oxymethyl]-1-methyl-3-(2-methylprop-1-enyl)cyclopropane","","CC(=CC1C(C1(C)COP(=O)(C)OC)COP(=O)(C)OC)C","BSAAHOUPSFVCBI-UHFFFAOYSA-N","395709",NA,"PDBC07354","700507","Present"
-"1,2-Di(1H-indol-2-yl)-1,2-ethanedione","","","","","","","","","","","","","","","","","","","","1,2-Di(1H-indol-2-yl)-1,2-ethanedione","","C1=CC=C2C(=C1)C=C(N2)C(=O)C(=O)C3=CC4=CC=CC=C4N3","XNSZILUICZBHAK-UHFFFAOYSA-N","372680",NA,"PDBC07355","648213","Present"
-"1,2-Di(2-thienyl)-4-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","1,2-Di(2-thienyl)-4-(3-thienyl)-1,4-butanedione","","C1=CSC(=C1)C(CC(=O)C2=CSC=C2)C(=O)C3=CC=CS3","QGRCLWKDGPDJCL-UHFFFAOYSA-N","376708",NA,"PDBC07356","657754","Present"
-"1,2-Di(indol-1-yl)ethane-1,2-dione","","","","","","","","","","","","","","","","","","","","1-(1H-Indol-1-yl(oxo)acetyl)-1H-indole","","C1=CC=C2C(=C1)C=CN2C(=O)C(=O)N3C=CC4=CC=CC=C43","GAQCZJAXPBXJDJ-UHFFFAOYSA-N","392213",NA,"PDBC07357","692346","Present"
-"1,2-Di(phenothiazin-10-yl)propan-1-one","","","","","","","","","","","","","","","","","","","","1,2-Di(10H-phenothiazin-10-yl)propan-1-one","","CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N4C5=CC=CC=C5SC6=CC=CC=C64","OXRCZZCPWHRXDJ-UHFFFAOYSA-N","377187",NA,"PDBC07358","658414","Present"
-"1,2-Diacetyl-1,2-didemethylthiocolchicine","","","","","","","","","","","","","","","","","","","","Neuro_000210","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC(=O)C)OC(=O)C)OC","VHMHTUVWMWRGOR-UHFFFAOYSA-N","435731",NA,"PDBC07359","374979","Present"
-"1,2-Diamino-5-cyano-4-(methylthio)-6-oxo-N-phenyl-1,6-dihydro-3-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","1,2-Diamino-5-cyano-4-(methylthio)-6-oxo-N-phenyl-1,6-dihydro-3-pyridinecarboxamide","","CSC1=C(C(=O)N(C(=C1C(=O)NC2=CC=CC=C2)N)N)C#N","RWHOVEUNUBVGMP-UHFFFAOYSA-N","392155",NA,"PDBC07360","692035","Present"
-"1,2-Diamino-5-cyano-N-(3-methoxyphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","1,2-Diamino-5-cyano-N-(3-methoxyphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide","","COC1=CC=CC(=C1)NC(=O)C2=C(N(C(=O)C(=C2SC)C#N)N)N","WTTJZNCYGYAFDZ-UHFFFAOYSA-N","390306",NA,"PDBC07361","687598","Present"
-"1,2-Diamino-5-cyano-N-(4-methylphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","1,2-Diamino-5-cyano-N-(4-methylphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide","","CC1=CC=C(C=C1)NC(=O)C2=C(N(C(=O)C(=C2SC)C#N)N)N","LXYFJIUZEQANRT-UHFFFAOYSA-N","392152",NA,"PDBC07362","692032","Present"
-"1,2-Diamino-N-(4-chlorophenyl)-5-cyano-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","1,2-Diamino-N-(4-chlorophenyl)-5-cyano-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide","","CSC1=C(C(=O)N(C(=C1C(=O)NC2=CC=C(C=C2)Cl)N)N)C#N","YGHOIJOCRSDKAU-UHFFFAOYSA-N","392137",NA,"PDBC07363","692017","Present"
-"1,2-Diaminocyclohexane platinum (II) chloride","","","","","","","","","","","","","","","","","","","","Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-...///Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-2-(1S-trans))- (9CI)///Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-2-(1R-trans))- (9CI)","","C1CCC(C(C1)[NH-])[NH-].Cl[Pt+2]Cl","UUERTZXRKZEANK-UHFFFAOYSA-L","426607",NA,"PDBC07364","255917///265459///265460","Present"
-"1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester","","","","","","","","","","","","","","","","","","","","DBAD","","C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2","IRJKSAIGIYODAN-ISLYRVAYSA-N","5387121",NA,"PDBC07365","620564","Present"
-"1,2-Diazine, 3,5-di[2-hydroxyphenyl]-","","","","","","","","","","","","","","","","","","","","1,2-Diazine, 3,5-di[2-hydroxyphenyl]-","","C1=CC=C(C(=C1)C2=CC(=NN=C2)C3=CC=CC=C3O)O","DQGXCBDFQUPWHN-UHFFFAOYSA-N","365022",NA,"PDBC07366","631957","Present"
-"1,2-Dibenzoylbenzene","","","","","","","","","","","","","","","","","","","","1,2-Dibenzoylbenzene","","C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3","OJLABXSUFRIXFL-UHFFFAOYSA-N","70875",NA,"PDBC07367","6145","Present"
-"1,2-Dibenzyl-5-nitro-1,2-dihydro-3h-indazol-3-one","","","","","","","","","","","","","","","","","","","","1,2-Dibenzyl-5-nitro-1,2-dihydro-3h-indazol-3-one","","C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=CC=C4","STOSUNWOWGFJLD-UHFFFAOYSA-N","386345",NA,"PDBC07368","678128","Present"
-"1,2-Dibromo-1-phenyl-2-(3-phenylacryloyl)ethane","","","","","","","","","","","","","","","","","","","","(E)-4,5-DIBROMO-1,5-DIPHENYL-PENT-1-EN-3-ONE","","C1=CC=C(C=C1)C=CC(=O)C(C(C2=CC=CC=C2)Br)Br","QWRCGOMWOXYYBU-VAWYXSNFSA-N","6107678",NA,"PDBC07369","117222","Present"
-"1,2-Dibromo-3,4-bis(dibromomethylene)cyclobutane","","","","","","","","","","","","","","","","","","","","1,2-Dibromo-3,4-bis(dibromomethylene)cyclobutane","","C1(C(C(=C(Br)Br)C1=C(Br)Br)Br)Br","LHPQXMMEPJKJGB-UHFFFAOYSA-N","361635",NA,"PDBC07370","624851","Present"
-"1,2-Dibutyl-3-cyanoguanidine","","","","","","","","","","","","","","","","","","","","N,N'-Dibutyl-N''-cyanoguanidine","","CCCCNC(=NCCCC)NC#N","MOJADWXVPMPDJX-UHFFFAOYSA-N","370387",NA,"PDBC07371","643481","Present"
-"1,2-Dichloro-4,5-dinitrobenzene","","","","","","","","","","","","","","","","","","","","WLN: WNR CG DG FNW","","C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]","IGSAVPVCQHAPSM-UHFFFAOYSA-N","80565",NA,"PDBC07372","22945","Present"
-"1,2-Dichloro-4-[(E)-2-nitrobut-1-enyl]benzene","","","","","","","","","","","","","","","","","","","","1,2-Dichloro-4-[(E)-2-nitrobut-1-enyl]benzene","","CCC(=CC1=CC(=C(C=C1)Cl)Cl)[N+](=O)[O-]","IOAJWDUHRZDCAJ-VMPITWQZSA-N","5355002",NA,"PDBC07373","23477","Present"
-"1,2-Dichloro-4-[(E)-2-nitroprop-1-enyl]benzene","","","","","","","","","","","","","","","","","","","","NSC23863///NSC3941","","CC(=CC1=CC(=C(C=C1)Cl)Cl)[N+](=O)[O-]","QLVJMAOJVUYXBE-GQCTYLIASA-N","5354235",NA,"PDBC07374","23863///3941","Present"
-"1,2-Dichloromethyl-o-carborane","","","","","","","","","","","","","","","","","","","","1,2-Dichloromethyl-o-carborane","","","","",NA,"PDBC07375","676528","Present"
-"1,2-Dicycloundecyl-1,2-ethanediol","","","","","","","","","","","","","","","","","","","","1,2-Dicycloundecyl-1,2-ethanediol","","C1CCCCCC(CCCC1)C(C(C2CCCCCCCCCC2)O)O","XELVUFDGJNSXOP-UHFFFAOYSA-N","380738",NA,"PDBC07376","666445","Present"
-"1,2-Didemethylcolchicine","","","","","","","","","","","","","","","","","","","","1,2-Didemethylcolchicine","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)O)O)OC","QCOIAAVYXNEUDX-UHFFFAOYSA-N","100174",NA,"PDBC07377","354975","Present"
-"1,2-Diethyl-1H-naphth[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1,2-Diethyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCC1=NC2=C(N1CC)C(=O)C3=CC=CC=C3C2=O","PQKLSPBEOLYTKF-UHFFFAOYSA-N","377420",NA,"PDBC07378","658863","Present"
-"1,2-Dihydro-3-thia-4a,9-diaza-4H-fluorene","","","","","","","","","","","","","","","","","","","","3,4-Dihydro[1,3]thiazino[3,4-a]benzimidazole","","C1CSCN2C1=NC3=CC=CC=C32","YWLAXDROTUETHO-UHFFFAOYSA-N","395902",NA,"PDBC07379","700997","Present"
-"1,2-Dihydro-4-phenanthrenecarboxylic acid","","","","","","","","","","","","","","","","","","","","D1I3R6W2LF","","C1CC2=C(C(=C1)C(=O)O)C3=CC=CC=C3C=C2","MCJHMWKWSAFWHH-UHFFFAOYSA-N","284066",NA,"PDBC07380","139677","Present"
-"1,2-Dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium;2-(2-imino-1,3-benzothiazol-3-yl)ethanethiolate","","","","","","","","","","","","","","","","","","","","1,2-Dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium;2-(2-imino-1,3-benzothiazol-3-yl)ethanethiolate","","C1CSC2=[N+]1C3=CC=CC=C3S2.C1=CC=C2C(=C1)N(C(=N)S2)CC[S-]","YCVLKYUQQAJNIU-UHFFFAOYSA-M","421327",NA,"PDBC07381","132693","Present"
-"1,2-Dihydroxy-2-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione","","","","","","","","","","","","","","","","","","","","1,2-Dihydroxy-2-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione","","CC1(CCN2C(=O)C3=CC4=CC=CC=C4C=C3C(=O)N2C1O)O","WCPMGBMEIMZWGL-UHFFFAOYSA-N","373132",NA,"PDBC07382","649074","Present"
-"1,2-Diisonicotinoylhydrazine","","","","","","","","","","","","","","","","","","","","N,N'-Diisonicotinoylhydrazine","","C1=CN=CC=C1C(=O)NNC(=O)C2=CC=NC=C2","HDADCMZPLLONGB-UHFFFAOYSA-N","72489",NA,"PDBC07383","52961","Present"
-"1,2-Dimethoxy-4-(2-nitropropenyl)benzene","","","","","","","","","","","","","","","","","","","","NSC12113///NSC54548","","CC(=CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-]","JGFBGRHDJMANRR-VURMDHGXSA-N","737187",NA,"PDBC07384","12113///54548","Present"
-"1,2-Dimethoxy-4-[(Z)-2-nitroethenyl]benzene","","","","","","","","","","","","","","","","","","","","NSC7390","","COC1=C(C=C(C=C1)C=C[N+](=O)[O-])OC","SYJMYDMKPSZMSB-WAYWQWQTSA-N","1550967",NA,"PDBC07385","7390","Present"
-"1,2-Dimethyl-3-(1,2,4-triazol-4-yl)isourea","","","","","","","","","","","","","","","","","","","","1,2-Dimethyl-3-(1,2,4-triazol-4-yl)isourea","","CN=C(NN1C=NN=C1)OC","GSPPJAZZCYWEJP-UHFFFAOYSA-N","394937",NA,"PDBC07386","699037","Present"
-"1,2-Dimethyl-3-nitrocyclopropene","","","","","","","","","","","","","","","","","","","","1,2-Dimethyl-3-nitrocyclopropene","","CC1=C(C1[N+](=O)[O-])C","LKDSPKCCRBKIJJ-UHFFFAOYSA-N","378345",NA,"PDBC07387","660420","Present"
-"1,2-Dimethyl-4,5-bis[[(E)-2-(2-nitrophenyl)vinyl]sulfonylmethyl]benzene","","","","","","","","","","","","","","","","","","","","1,2-Dimethyl-4,5-bis[[(E)-2-(2-nitrophenyl)vinyl]sulfonylmethyl]benzene","","CC1=CC(=C(C=C1C)CS(=O)(=O)C=CC2=CC=CC=C2[N+](=O)[O-])CS(=O)(=O)C=CC3=CC=CC=C3[N+](=O)[O-]","QZEQMFAYAIAGRB-PHEQNACWSA-N","5388090",NA,"PDBC07388","631691","Present"
-"1,2-Dimethyl-4-morpholino-2,3-dihydro-1,5-benzodiazepine","","","","","","","","","","","","","","","","","","","","1,2-Dimethyl-4-morpholino-2,3-dihydro-1,5-benzodiazepine","","CC1CC(=NC2=CC=CC=C2N1C)N3CCOCC3","DDNSMEARAVWPQS-UHFFFAOYSA-N","397534",NA,"PDBC07389","705842","Present"
-"1,2-Dimethyl-5-phenoxathiin-2-ylpyrrole","","","","","","","","","","","","","","","","","","","","1,2-Dimethyl-5-phenoxathiin-2-yl-1h-pyrrole","","CC1=CC=C(N1C)C2=CC3=C(C=C2)OC4=CC=CC=C4S3","QARGRSMOYNKHCF-UHFFFAOYSA-N","403357",NA,"PDBC07390","718150","Present"
-"1,2-Dimethyl-phenothiazone","","","","","","","","","","","","","","","","","","","","1,2-Dimethyl-phenothiazone","","CC1=C(C2=NC3=CC=CC=C3SC2=CC1=O)C","HUPHNKJOBUKSOA-UHFFFAOYSA-N","369387",NA,"PDBC07391","641151","Present"
-"1,2-Dinitroso-1,2-dihydroacenaphthylene","","","","","","","","","","","","","","","","","","","","1,2-Dinitroso-1,2-dihydroacenaphthylene","","C1=CC2=C3C(=C1)C(C(C3=CC=C2)N=O)N=O","ICUHCVVMFQFUSC-UHFFFAOYSA-N","346024",NA,"PDBC07392","404027","Present"
-"1,2-Dioctyl glyceryl ether","","","","","","","","","","","","","","","","","","","","diC8 ether","","CCCCCCCCOCC(CO)OCCCCCCCC","QWHKYVBQPAUEPF-UHFFFAOYSA-N","372442",NA,"PDBC07393","647556","Present"
-"1,2-Diphenyl-1,2-di(3-pyridinyl)-1,2-ethanediol","","","","","","","","","","","","","","","","","","","","1,2-Diphenyl-1,2-di(3-pyridinyl)-1,2-ethanediol","","C1=CC=C(C=C1)C(C2=CN=CC=C2)(C(C3=CC=CC=C3)(C4=CN=CC=C4)O)O","SWNTUXVFZXJRMT-UHFFFAOYSA-N","387101",NA,"PDBC07394","680492","Present"
-"1,2-Diphenyl-2-(phenyldiazenyl)vinyl benzoate","","","","","","","","","","","","","","","","","","","","1,2-Diphenyl-2-(phenyldiazenyl)vinyl benzoate","","C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)N=NC4=CC=CC=C4","CRYAIAGXVMJABY-FWOMJYAZSA-N","3004067",NA,"PDBC07395","625652","Present"
-"1,2-Diphenylseleno-o-carborane","","","","","","","","","","","","","","","","","","","","1,2-Diphenylseleno-o-carborane","","","","",NA,"PDBC07396","676530","Present"
-"1,2-Ditert-butyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1,2-Ditert-butyl-1,2,4-triazolidine-3,5-dione","","CC(C)(C)N1C(=O)NC(=O)N1C(C)(C)C","XWBTWXWRGYEDOW-UHFFFAOYSA-N","390095",NA,"PDBC07397","687038","Present"
-"1,2-Dithia-6,9-diazacyclododecane-5,10-dione","","","","","","","","","","","","","","","","","","","","NSC670030","","C1CSSCCC(=O)NCCNC1=O","SQTJPYWWGNNINA-UHFFFAOYSA-N","368253",NA,"PDBC07398","670030","Present"
-"1,2-Dithiane-4,5-diyl bis(4-methylbenzenesulfonate)","","","","","","","","","","","","","","","","","","","","1,2-Dithiane-4,5-diyl bis(4-methylbenzenesulfonate)","","CC1=CC=C(C=C1)S(=O)(=O)OC2CSSCC2OS(=O)(=O)C3=CC=C(C=C3)C","NHKHBQRGOSNFMR-UHFFFAOYSA-N","361193",NA,"PDBC07399","624156","Present"
-"1,2-Dithiolan-4-one, thiosemicarbazone","","","","","","","","","","","","","","","","","","","","NSC208746","","C1C(=NNC(=S)N)CSS1","VXRHDGKBDCVXBW-UHFFFAOYSA-N","3000655",NA,"PDBC07400","208746","Present"
-"1,2-Dithiolo(3,4-b)pyridin-3-one","","","","","","","","","","","","","","","","","","","","LHU96QSJ2E","","C1=CC2=C(N=C1)SSC2=O","ZFEQZSUEICITLV-UHFFFAOYSA-N","342690",NA,"PDBC07401","380271","Present"
-"1,2-Ethanediamine, N,N,N'-trimethyl-N'-(4,5,6,7-tetrachloro-2,2'-spirobi[1,3,2-benzodioxaphosphol]-2-yl)-","","","","","","","","","","","","","","","","","","","","N,N,N'-Trimethyl-N'-(4',5',6',7'-tetrachloro-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)ethane-1,2-diamine","","CN(C)CCN(C)P12(OC3=CC=CC=C3O1)OC4=C(O2)C(=C(C(=C4Cl)Cl)Cl)Cl","QVCFMLYOBQQYEN-UHFFFAOYSA-N","376275",NA,"PDBC07402","656988","Present"
-"1,2-Ethanedione bis(4,4-dimethylthiosemicarbazone)","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2,2'-(1,2-ethanediylidene)bis[N...","","CN(C)C(=S)NN=CC=NNC(=S)N(C)C","UERVCLJOOHYLKQ-OZDSWYPASA-N","6309639",NA,"PDBC07403","693322","Present"
-"1,2-Ethanedione bis(4,4-hexamethylenethiosemicarbazone)","","","","","","","","","","","","","","","","","","","","NSC693324","","C1CCCN(CC1)C(=S)NN=CC=NNC(=S)N2CCCCCC2","PXWCPKBGQYDAOI-XFQWXJFMSA-N","5913653",NA,"PDBC07404","693324","Present"
-"1,2-Ethanedione bis(4,4-pentamethylenethiosemicarbazone)","","","","","","","","","","","","","","","","","","","","NSC693323","","C1CCN(CC1)C(=S)NN=CC=NNC(=S)N2CCCCC2","CWFKUWZANGTEQS-DUGOVBPYSA-N","5878685",NA,"PDBC07405","693323","Present"
-"1,2-Ethylenediphosphonic acid","","","","","","","","","","","","","","","","","","","","1,2-ethanediphosphonic acid","","C(CP(=O)(O)O)P(=O)(O)O","XYJLPCAKKYOLGU-UHFFFAOYSA-N","80247",NA,"PDBC07406","40837","Present"
-"1,2-Hydrazinedicarboxylic acid, 1-[5-[(4-methoxyphenyl)azo]-1-methyl-1H-pyrrol-2-yl]-, diethyl ester","","","","","","","","","","","","","","","","","","","","1,2-Hydrazinedicarboxylic acid, 1-[5-[(4-methoxyphenyl)azo]-1-methyl-1H-pyrrol-2-yl]-, diethyl ester","","CCOC(=O)NN(C1=CC=C(N1C)N=NC2=CC=C(C=C2)OC)C(=O)OCC","AYHQWLTYYLIDSW-UHFFFAOYSA-N","382725",NA,"PDBC07407","670398","Present"
-"1,2-Naphthalenedione, 4-(1-aziridinyl)-","","","","","","","","","","","","","","","","","","","","4-ethyleniminonaphthoquinone-1,2","","C1CN1C2=CC(=O)C(=O)C3=CC=CC=C32","KWBYKWLHLZKMKF-UHFFFAOYSA-N","9922",NA,"PDBC07408","139347","Present"
-"1,2-Naphthalenedione, 4-(phenylamino)-","","","","","","","","","","","","","","","","","","","","1,4-Naphthoquinone imine, 2-hydroxy-N-phenyl-","","C1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32","NMSRYZBDOYDJBJ-UHFFFAOYSA-N","344131",NA,"PDBC07409","400862","Present"
-"1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2,5-dihydro-5,5-dimethyl-2-phenyl-, 2-oxide","","","","","","","","","","","","","","","","","","","","1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2,5-dihydro-5,5-dimethyl-2-phenyl-, 2-oxide","","CC1(C(=CP(=O)(O1)C2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C","QVLHDKYXYKJAPF-UHFFFAOYSA-N","380884",NA,"PDBC07410","666668","Present"
-"1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2-ethoxy-2,5-dihydro-5,5-dimethyl-, 2-oxide","","","","","","","","","","","","","","","","","","","","1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2-ethoxy-2,5-dihydro-5,5-dimethyl-, 2-oxide","","CCOP1(=O)C=C(C(O1)(C)C)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","ZXXJUBCXDGHKFW-UHFFFAOYSA-N","380883",NA,"PDBC07411","666667","Present"
-"1,2-Propanediol, 3-(octyloxy)-","","","","","","","","","","","","","","","","","","","","octyl glyceryl ether","","CCCCCCCCOCC(CO)O","GUPXYSSGJWIURR-UHFFFAOYSA-N","112041",NA,"PDBC07412","625447","Present"
-"1,2-Propanedione bis(4,4-dimethylthiosemicarbazone)","","","","","","","","","","","","","","","","","","","","NSC693325","","CC(=NNC(=S)N(C)C)C=NNC(=S)N(C)C","BFPQXBXMEBQILW-SQXCDDPUSA-N","6411976",NA,"PDBC07413","693325","Present"
-"1,2-bis[bis(2-methylthiophenyl)phosphino]ethane","","","","","","","","","","","","","","","","","","","","1,2-bis[bis(2-methylthiophenyl)phosphino]ethane","","CSC1=CC=CC=C1P(CCP(C2=CC=CC=C2SC)C3=CC=CC=C3SC)C4=CC=CC=C4SC","JXRFSPHGORBIOI-UHFFFAOYSA-N","397601",NA,"PDBC07414","705942","Present"
-"1,3',5'(10')-Triene-1 7'b-yl)pentanamide","","","","","","","","","","","","","","","","","","","","1,2-Dithiolan-3-yl-N-(3'-methoxyestra-1',3',5'(10')-trie...","","CC12CCC3C(C1CCC2NC(=O)CCCCC4CCSS4)CCC5=C3C=CC(=C5)OC","JIJOZCQZONMZOR-UHFFFAOYSA-N","24205571",NA,"PDBC07415","736179","Present"
-"1,3,10,11-Tetrahydro-2,3,10,11-tetrahydroxy-brefeldin A","","","","","","","","","","","","","","","","","","","","1,13-bis-tert-Butyldimethylsilyloxy-2,3,10,11-tetrahydro...","","CC1CCCC(C(C2CC(CC2C(C(C(C(=O)O1)O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)O","NLARHYFRFHJEHV-RWEOQDGOSA-N","24202575",NA,"PDBC07416","694611","Present"
-"1,3,2-Benzodioxaphosphole, 2-(4-methoxyphenyl)-5-(triphenylmethyl)-, 2-sulfide","","","","","","","","","","","","","","","","","","","","1,3,2-Benzodioxaphosphole, 2-(4-methoxyphenyl)-5-(triphenylmethyl)-, 2-sulfide","","COC1=CC=C(C=C1)P2(=S)OC3=C(O2)C=C(C=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","JBBVBCBSABZVAH-UHFFFAOYSA-N","386497",NA,"PDBC07417","678867","Present"
-"1,3,2-Dioxaphospholane, 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-, 2-sulfide","","","","","","","","","","","","","","","","","","","","1,3,2-Dioxaphospholane, 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-, 2-sulfide","","CC1(C(OP(=S)(O1)C2=CC=C(C=C2)OC)(C)C)C","GYXGXEQZKKQTRL-UHFFFAOYSA-N","386494",NA,"PDBC07418","678864","Present"
-"1,3,2-Oxathiastannolan-5-one, 2,2-dibutyl-","","","","","","","","","","","","","","","","","","","","mercaptoacetate","","CCCC[Sn]1(OC(=O)CS1)CCCC","OLOQHZSCBTUIGQ-UHFFFAOYSA-L","16682788",NA,"PDBC07419","67015","Present"
-"1,3,2-Oxathiastannolane, 2,2-dibutyl-","","","","","","","","","","","","","","","","","","","","WLN: T5O-SN-STJ B4 B4","","CCCC[Sn]1(OCCS1)CCCC","TWNAELGEYKMPLY-UHFFFAOYSA-M","16683030",NA,"PDBC07420","512569","Present"
-"1,3,3,10-Tetramethyl-1,3a,4,10b-tetrahydro-3H-isoxazolo[3',4':3,4]pyrrolo[1,2-a]indole","","","","","","","","","","","","","","","","","","","","1,3,3,10-Tetramethyl-1,3a,4,10b-tetrahydro-3H-isoxazolo[3',4':3,4]pyrrolo[1,2-a]indole","","CC1=C2C3C(CN2C4=CC=CC=C14)C(ON3C)(C)C","AZCXNHBIWMIHLQ-UHFFFAOYSA-N","372827",NA,"PDBC07421","648488","Present"
-"1,3,3,5-Pentanetetracarbonitrile","","","","","","","","","","","","","","","","","","","","NSC650734","","C(CC(CCC#N)(C#N)C#N)C#N","SOUBRVXEOBMUKO-UHFFFAOYSA-N","283406",NA,"PDBC07422","650734","Present"
-"1,3,3-Trimethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]indol-1-ium;iodide","","","","","","","","","","","","","","","","","","","","1,3,3-Trimethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]indol-1-ium;iodide","","CC1(C2=CC=CC=C2[N+](=C1C=CC=CC3=CC=CC=C3)C)C.[I-]","QNHIJOBXIQEPFT-TVWRACGGSA-M","54609031",NA,"PDBC07423","10534","Present"
-"1,3,3-Trimethyl-2-methylidene-5-(1,3,3-trimethyl-2-methylideneindol-5-yl)sulfonylindole","","","","","","","","","","","","","","","","","","","","1,3,3-Trimethyl-2-methylene-5-(1,3,3-trimethyl-2-methylene-indolin-5-yl)sulfonyl-indoline","","CC1(C(=C)N(C2=C1C=C(C=C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=C)C4(C)C)C)C)C","KZCOEVFPCUHFIU-UHFFFAOYSA-N","397681",NA,"PDBC07424","706043","Present"
-"1,3,3-Trimethyl-3,4-dihydro-1,4-ethano-1H,5H-[1,4]oxazepino[4,3-a]benzimidazol-5-one","","","","","","","","","","","","","","","","","","","","1,3,3-Trimethyl-3,4-dihydro-1,4-ethano-1H,5H-[1,4]oxazepino[4,3-a]benzimidazol-5-one","","CC1(C2CCC(O1)(C3=NC4=CC=CC=C4N3C2=O)C)C","YSUDGUUUHPPPSP-UHFFFAOYSA-N","388080",NA,"PDBC07425","682543","Present"
-"1,3,4,5,7,8-Hexaphenyl-4H,8H-2,6-dithia-s-indacene","","","","","","","","","","","","","","","","","","","","1,3,4,5,7,8-Hexaphenyl-4H,8H-2,6-dithia-s-indacene","","C1=CC=C(C=C1)C2C3=C(SC(=C3C(C4=C(SC(=C24)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9","WTXRSIVWBKYPLF-UHFFFAOYSA-N","363190",NA,"PDBC07426","627864","Present"
-"1,3,4,5-Tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-2-one","","","","","","","","","","","","","","","","","","","","1,3,4,5-Tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-2-one","","C1CC(=O)NC2=NC3=CC=CC=C3N2C1","RRCRGXFNOJMAKX-UHFFFAOYSA-N","388460",NA,"PDBC07427","683390","Present"
-"1,3,4,6,7,9-Hexachloro-N,N-bis(2-chloroethyl)-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-amine","","","","","","","","","","","","","","","","","","","","1,3,4,6,7,9-Hexachloro-N,N-bis(2-chloroethyl)-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-amine","","C1C2=C(C(=CC(=C2Cl)Cl)Cl)OP(=O)(OC3=C1C(=C(C=C3Cl)Cl)Cl)N(CCCl)CCCl","GDVNQKDPLWLIKA-UHFFFAOYSA-N","382837",NA,"PDBC07428","670666","Present"
-"1,3,4,6-Tetrathiapentalene-2,5-dithione","","","","","","","","","","","","","","","","","","","","1,3,4,6-Tetrathiapentalene-2,5-dithione","","C12=C(SC(=S)S1)SC(=S)S2","RWDHIJIIQNLPPG-UHFFFAOYSA-N","363823",NA,"PDBC07429","629039","Present"
-"1,3,4,6-Tetrazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7-diene-5-thione","","","","","","","","","","","","","","","","","","","","1,3,4,6-Tetrazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7-diene-5-thione","","C1CCC2C(C1)C3CCCC4=C5C(=NNC(=S)N5)N2C34","TVWKFGRMFRJQKS-UHFFFAOYSA-N","5470587",NA,"PDBC07430","703127","Present"
-"1,3,4-Tetrahydro-5-(3,4-dimethoxyphenyl)-7-morpholino-2,4-dithioxopyrido[2,3-d]pyrimidine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","1,2,3,4-Tetrahydro-5-(3,4-dimethoxyphenyl)-7-morpholino-...","","COC1=C(C=C(C=C1)C2=C(C(=NC3=C2C(=S)NC(=S)N3)N4CCOCC4)C#N)OC","GUMUUWODHODLQT-UHFFFAOYSA-N","24204318",NA,"PDBC07431","731360","Present"
-"1,3,4-Trichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","1,3,4-Trichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-amine hydrochloride","","C1C(C2=C(SC(=C2C1Cl)Cl)Cl)N.Cl","PJEAJIWIJDDBMP-UHFFFAOYSA-N","396943",NA,"PDBC07432","704125","Present"
-"1,3,4-Trifluoro-2-nitro-10H-phenothiazine","","","","","","","","","","","","","","","","","","","","10H-Phenothiazine, 1,3,4-trifluoro-2-nitro-","","C1=CC=C2C(=C1)NC3=C(C(=C(C(=C3S2)F)F)[N+](=O)[O-])F","AWSJJTFAFQEBSD-UHFFFAOYSA-N","385372",NA,"PDBC07433","676522","Present"
-"1,3,4-Triphenyl-2H-phosphete","","","","","","","","","","","","","","","","","","","","1,3,4-Triphenyl-1,2-dihydrophosphete","","C1C(=C(P1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","QQDDJUKBMDFUIB-UHFFFAOYSA-N","391571",NA,"PDBC07434","690982","Present"
-"1,3,4-Triphenylisothiochromeno[4,3-c]pyridazine","","","","","","","","","","","","","","","","","","","","1,3,4-Triphenylisothiochromeno[4,3-c]pyridazine","","C1=CC=C(C=C1)C2=C3C(=C4C=CC=CC4=CS3)N(N=C2C5=CC=CC=C5)C6=CC=CC=C6","BGHZRUTXJSNJPG-UHFFFAOYSA-N","373883",NA,"PDBC07435","650874","Present"
-"1,3,4-Tris(4-methylphenyl)-2,5-diphenyl-2,4-cyclopentadien-1-ol","","","","","","","","","","","","","","","","","","","","1,3,4-Tris(4-methylphenyl)-2,5-diphenyl-2,4-cyclopentadien-1-ol","","CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=C(C=C5)C)O)C6=CC=CC=C6","HLNQRUXQXWKPBK-UHFFFAOYSA-N","370268",NA,"PDBC07436","643046","Present"
-"1,3,4alpha,6alpha-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene","","","","","","","","","","","","","","","","","","","","(4S,6R)-1,3,4,6-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene","","C1C(C2=C(SC(=C2C1Cl)Cl)Cl)Cl","FRIOLWQFTWFURX-WSOKHJQSSA-N","396940",NA,"PDBC07437","704122","Present"
-"1,3,4beta-Trichloro-6alpha-bromo-5,6-dihydro-4H-cyclopenta[c]thiophene","","","","","","","","","","","","","","","","","","","","(4s,6s)-6-Bromo-1,3,4-trichloro-5,6-dihydro-4h-cyclopenta[c]thiophene","","C1C(C2=C(SC(=C2C1Br)Cl)Cl)Cl","INIATLNNCALISB-HRFVKAFMSA-N","397149",NA,"PDBC07438","704550","Present"
-"1,3,4beta-Trichloro-6beta-bromo-5,6-dihydro-4H-cyclopenta[c]thiophene","","","","","","","","","","","","","","","","","","","","(4s,6r)-6-Bromo-1,3,4-trichloro-5,6-dihydro-4h-cyclopenta[c]thiophene","","C1C(C2=C(SC(=C2C1Br)Cl)Cl)Cl","INIATLNNCALISB-GBXIJSLDSA-N","397148",NA,"PDBC07439","704549","Present"
-"1,3,5,8-Tetramethyl-1,5,6,8-tetrahydropyrazolo[3,4-e][1,4]diazepine-4,7-dione","","","","","","","","","","","","","","","","","","","","1,3,5,8-Tetramethyl-1,5,6,8-tetrahydropyrazolo[3,4-e][1,4]diazepine-4,7-dione","","CC1=NN(C2=C1C(=O)N(CC(=O)N2C)C)C","DGXZMTNZDDJDDN-UHFFFAOYSA-N","377438",NA,"PDBC07440","658891","Present"
-"1,3,5-Triacryloylhexahydro-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","fixierer p","","C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C","FYBFGAFWCBMEDG-UHFFFAOYSA-N","70397",NA,"PDBC07441","63839","Present"
-"1,3,5-Triazapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2,5,11(18),12,14,16-hexaene-4-thione","","","","","","","","","","","","","","","","","","","","1,3,5-Triazapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2,5,11(18),12,14,16-hexaene-4-thione","","C1CC2C3=C(C1)C4=CC=CC=C4N3C5=NC(=S)N=C25","SPFYLNQXGKZCOL-UHFFFAOYSA-N","396627",NA,"PDBC07442","703126","Present"
-"1,3,5-Triazin-2(1H)-one, tetrahydro-1,3-dimethyl-5-[(tetrahydro-3,5-dimethyl-4-oxo-1,3,5-triazin-1(2H)-yl)carbonyl]-","","","","","","","","","","","","","","","","","","","","5-(3,5-Dimethyl-4-oxo-1,3,5-triazinane-1-carbonyl)-1,3-dimethyl-1,3,5-triazinan-2-one","","CN1CN(CN(C1=O)C)C(=O)N2CN(C(=O)N(C2)C)C","LNGKPQHETDTYSP-UHFFFAOYSA-N","370397",NA,"PDBC07443","643494","Present"
-"1,3,5-Triazine-2,4-diamine, 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1,6-dihydro-6,6-dimethyl-, monohydrochloride","","","","","","","","","","","","","","","","","","","","s-triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(.alp...","","CC1(N=C(N=C(N1C2=CC(=C(C=C2)F)C(F)(F)F)N)N)C.Cl","NTRFBDFCMNEOMU-UHFFFAOYSA-N","21144572",NA,"PDBC07444","173516","Present"
-"1,3,5-Triazino[1,2-a]benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","C9H7N5","","C1=CC=C2C(=C1)N=C3N2C=NC(=N3)N","REQUSPHPOKKVPV-UHFFFAOYSA-N","387165",NA,"PDBC07445","680679","Present"
-"1,3,5-Tribenzylpyrrolo[3,4-d]imidazole-2,4,6-trione","","","","","","","","","","","","","","","","","","","","1,3,5-Tribenzyl-1,3-dihydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","C1=CC=C(C=C1)CN2C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5","OGMWOFMTYNSORS-UHFFFAOYSA-N","369308",NA,"PDBC07446","641062","Present"
-"1,3,5-Tribenzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","","","","","","","","","","","","","","","","","","","1,3,5-Tribenzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","C1=CC=C(C=C1)CN2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5","BYXCBEDSXXQRPB-UHFFFAOYSA-N","365907",NA,"PDBC07447","634028","Present"
-"1,3,5-Trimethyl-2,3,4,5-tetrahydro-1-benzazepine-2-carbonitrile","","","","","","","","","","","","","","","","","","","","1,3,5-Trimethyl-2,3,4,5-tetrahydro-1H-1-benzazepine-2-carbonitrile","","CC1CC(C2=CC=CC=C2N(C1C#N)C)C","LBEAHYPHXKKJKU-UHFFFAOYSA-N","379691",NA,"PDBC07448","664566","Present"
-"1,3,5-Trimethyl-2,4,6-triphenylpiperidin-4-ol","","","","","","","","","","","","","","","","","","","","1,3,5-Trimethyl-2,4,6-triphenylpiperidin-4-ol","","CC1C(N(C(C(C1(C2=CC=CC=C2)O)C)C3=CC=CC=C3)C)C4=CC=CC=C4","HEXUVKQFPIUPML-UHFFFAOYSA-N","339050",NA,"PDBC07449","363968","Present"
-"1,3,5-Trimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","1,3,5-Trimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid","","CC1=C(N(C(=O)N(C1=O)C)C)C(=O)O","YRHDQHSHFNPAPR-UHFFFAOYSA-N","362786",NA,"PDBC07450","627063","Present"
-"1,3,5-Trimethyl-2,6-diphenyl-piperidin-4-one","","","","","","","","","","","","","","","","","","","","1,3,5-Trimethyl-2,6-diphenylpiperidin-4-one;hydrochloride","","CC1C(N(C(C(C1=O)C)C2=CC=CC=C2)C)C3=CC=CC=C3.Cl","PQNXBEFNFIBWMC-UHFFFAOYSA-N","24200253",NA,"PDBC07451","364080","Present"
-"1,3,5-Trimethyl-2,6-diphenylpiperidin-4-one","","","","","","","","","","","","","","","","","","","","1,3,5-Trimethyl-2,6-diphenylpiperidin-4-one","","CC1C(N(C(C(C1=O)C)C2=CC=CC=C2)C)C3=CC=CC=C3","UGXYFKZVHUXJED-UHFFFAOYSA-N","339081",NA,"PDBC07452","364025","Present"
-"1,3,5-Trimethyl-2-[2-[(2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)-[2-[(1,3,5-trimethyl-4,6-dioxo-1,3,5,2-triazaphosphinan-2-yl)oxy]ethyl]amino]ethoxy]-1,3,5,2-triazaphosphinane-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3,5-Trimethyl-2-[2-[(2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)-[2-[(1,3,5-trimethyl-4,6-dioxo-1,3,5,2-triazaphosphinan-2-yl)oxy]ethyl]amino]ethoxy]-1,3,5,2-triazaphosphinane-4,6-dione","","CN1C(=O)N(P(N(C1=O)C)OCCN(CCOP2N(C(=O)N(C(=O)N2C)C)C)P3(=O)NCCCO3)C","WAXGHHFWBJKGTR-UHFFFAOYSA-N","397612",NA,"PDBC07453","705954","Present"
-"1,3,5-Trimethyl-2-phenyl-1,3,5,2-triazaborinane-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3,5-Trimethyl-2-phenyl-1,3,5,2-triazaborinane-4,6-dione","","B1(N(C(=O)N(C(=O)N1C)C)C)C2=CC=CC=C2","SDERIOGEXNGHMX-UHFFFAOYSA-N","387100",NA,"PDBC07454","680491","Present"
-"1,3,5-Trimethylpurino[8,9-b]quinazoline-2,4,11-trione","","","","","","","","","","","","","","","","","","","","1,3,5-Trimethylpurino[8,9-b]quinazoline-2,4,11-trione","","CN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NC4=CC=CC=C4C3=O","JAAQXDSRVIXPKG-UHFFFAOYSA-N","389768",NA,"PDBC07455","686364","Present"
-"1,3,5-Triphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidin-4-one","","","","","","","","","","","","","","","","","","","","1,3,5-Triphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-thioxo-pyrimidin-4-one","","C1CCN(C1)CCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","LDBMQBJQVLQAKQ-UHFFFAOYSA-N","396741",NA,"PDBC07456","703451","Present"
-"1,3,5-Triphenyl-6-(3-piperidin-1-ylpropylsulfanyl)-2-sulfanylidenepyrimidin-4-one","","","","","","","","","","","","","","","","","","","","1,3,5-Triphenyl-6-[3-(1-piperidyl)propylsulfanyl]-2-thioxo-pyrimidin-4-one","","C1CCN(CC1)CCCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","ZDLVZQIAJLSXCE-UHFFFAOYSA-N","396744",NA,"PDBC07457","703454","Present"
-"1,3,5-Tris(3,4-dichlorophenyl)-1,3,5-triazinane-2,4,6-trione","","","","","","","","","","","","","","","","","","","","1,3,5-Tris(3,4-dichlorophenyl)-1,3,5-triazinane-2,4,6-trione","","C1=CC(=C(C=C1N2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl)Cl)Cl","FXOQGHKORJYZFD-UHFFFAOYSA-N","379572",NA,"PDBC07458","664259","Present"
-"1,3,5-Tris(4-methoxybenzyl)benzene","","","","","","","","","","","","","","","","","","","","1,3,5-Tris(4-methoxybenzyl)benzene","","COC1=CC=C(C=C1)CC2=CC(=CC(=C2)CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC","XHNHBQUFATXPST-UHFFFAOYSA-N","393215",NA,"PDBC07459","694703","Present"
-"1,3,5-Tris(azidomethyl)-2,4,6-trimethylbenzene","","","","","","","","","","","","","","","","","","","","1,3,5-Tris(azidomethyl)-2,4,6-trimethylbenzene","","CC1=C(C(=C(C(=C1CN=[N+]=[N-])C)CN=[N+]=[N-])C)CN=[N+]=[N-]","SUKCSQNSCGTSOU-UHFFFAOYSA-N","386646",NA,"PDBC07460","679103","Present"
-"1,3,5a-Trihydroxychromeno[2,3-b]chromen-12-one","","","","","","","","","","","","","","","","","","","","1,3,5a-Trihydroxychromeno[2,3-b]chromen-12-one","","C1=CC=C2C(=C1)C=C3C(=O)C4=C(C=C(C=C4OC3(O2)O)O)O","MGOCWVNUDPYIGE-UHFFFAOYSA-N","388322",NA,"PDBC07461","683057","Present"
-"1,3,6,7-Tetrahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one","","","","","","","","","","","","","","","","","","","","9H-Xanthen-9-one, 2-.beta.-D-glucopyranosyl-1,3,6,7-tetr...","","C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O","AEDDIBAIWPIIBD-UHFFFAOYSA-N","5358385",NA,"PDBC07462","248870","Present"
-"1,3,6,8,11,13,16,18-Octazatricyclo[16.2.2.28,11]tetracosane-4,5,14,15-tetrathione","","","","","","","","","","","","","","","","","","","","1,3,6,8,11,13,16,18-octaazatricyclo[16.2.2.2-8,11-]tetra...","","C1CN2CCN1CNC(=S)C(=S)NCN3CCN(CC3)CNC(=S)C(=S)NC2","SZXOAAPVXFAACH-UHFFFAOYSA-N","3246199",NA,"PDBC07463","49487","Present"
-"1,3,6,9-Tetrathiacycloundecane","","","","","","","","","","","","","","","","","","","","1,3,6,9-Tetrathiacycloundecane","","C1CSCCSCSCCS1","ZWFLCAAQEDJCPS-UHFFFAOYSA-N","373837",NA,"PDBC07464","650800","Present"
-"1,3,6-Tetrabromo-7-chloro-3,7-dimethyloctane","","","","","","","","","","","","","","","","","","","","1,2,3,6-Tetrabromo-7-chloro-3,7-dimethyloctane","","CC(C)(C(CCC(C)(C(CBr)Br)Br)Br)Cl","VQJJUSUYXITRKY-UHFFFAOYSA-N","377932",NA,"PDBC07465","659556","Present"
-"1,3,6-Triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7,12(19),13,15,17-hexaene","","","","","","","","","","","","","","","","","","","","1,3,6-Triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7,12(19),13,15,17-hexaene","","C1CC2=C3C(=C4C(=NCCN4)N3C5=CC=CC=C25)C1","MZQCBXPYARZBEM-UHFFFAOYSA-N","396629",NA,"PDBC07466","703128","Present"
-"1,3,6-Tribromo-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","1,3,6-Tribromo-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1C(C2=C(SC(=C2C1=O)Br)Br)Br","CZYXJOKMEQOKIB-UHFFFAOYSA-N","398922",NA,"PDBC07467","709156","Present"
-"1,3,6-Tribromocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","1,3,6-Tribromocyclopenta[c]thiophen-4-one","","C1=C(C2=C(SC(=C2C1=O)Br)Br)Br","GMPZNLGMGBOGRJ-UHFFFAOYSA-N","397155",NA,"PDBC07468","704556","Present"
-"1,3,6-Trichloro-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","1,3,6-Trichloro-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1C(C2=C(SC(=C2C1=O)Cl)Cl)Cl","HQIUNWVVIXWUNN-UHFFFAOYSA-N","396949",NA,"PDBC07469","704130","Present"
-"1,3,6-Trimethyl-9H-pyrimido[4,5-b]indole-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3,6-Trimethyl-9H-pyrimido[4,5-b]indole-2,4-dione","","CC1=CC2=C(C=C1)NC3=C2C(=O)N(C(=O)N3C)C","QDVJSXSYTSOMFK-UHFFFAOYSA-N","387235",NA,"PDBC07470","680810","Present"
-"1,3,6alpha-Trichloro-5,6-dihydro-4H-cyclopenta[c]thiophene-4alpha-ol","","","","","","","","","","","","","","","","","","","","(4S,6R)-1,3,4-Trichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-ol","","C1C(C2=C(SC(=C2C1Cl)Cl)Cl)O","KEWSPFNPIRCKQG-STHAYSLISA-N","397147",NA,"PDBC07471","704548","Present"
-"1,3,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","1,2,3,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hy...","","COC1=C(C(=C2C(=C1)CC3=C2N=CC4=C(C(=C(C=C34)OC)OC)OC)OC)OC.Cl","BSABFUJVIMYNQS-UHFFFAOYSA-N","11464666",NA,"PDBC07472","730928","Present"
-"1,3,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride","","","","","","","","","","","","","","","","","","","","1,2,3,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hyd...","","COC1=C(C=C2C(=C1)CC3=C2N=CC4=C(C(=C(C=C34)OC)OC)OC)OC.Cl","YWCZFYOBXXIEGG-UHFFFAOYSA-N","11235079",NA,"PDBC07473","730919","Present"
-"1,3,7-Trimethyl-2,4,6,8-tetraoxo-9-[2-oxo-2-[[2-[(2-methoxy-6-chloroacridin-9-yl)amino]ethyl]amino]ethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[5,4-g]pteridine 5-oxide","","","","","","","","","","","","","","","","","","","","N-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxopyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide","","CN1C2=C(C(=O)N(C1=O)C)[N+](=C3C(=N2)N(C(=O)N(C3=O)C)CC(=O)NCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC)[O-]","LFMBAQCARPEGEG-UHFFFAOYSA-N","496464",NA,"PDBC07474","689712","Present"
-"1,3,7-Trimethyl-6-phenyl-2,4,8,9-tetraoxatricyclo[4.2.1.03,7]nonan-5-one","","","","","","","","","","","","","","","","","","","","1,3,7-Trimethyl-6-phenyl-2,4,8,9-tetraoxatricyclo[4.2.1.03,7]nonan-5-one","","CC12C3(OC(=O)C1(OC(O2)(O3)C)C4=CC=CC=C4)C","IDPQIPXJQOGXOE-UHFFFAOYSA-N","363027",NA,"PDBC07475","627571","Present"
-"1,3,7-Trimethyl-8-((2-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","1,3,7-Trimethyl-8-[2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethylamino]purine-2,6-dione","","CN1C2=C(N=C1NCCNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)N(C(=O)N(C2=O)C)C","KPLGAVCWHZIINT-UHFFFAOYSA-N","225243",NA,"PDBC07476","14410","Present"
-"1,3,7-Trimethyl-8-(2-methylpropoxy)purine-2,6-dione","","","","","","","","","","","","","","","","","","","","1,3,7-Trimethyl-8-(2-methylpropoxy)purine-2,6-dione","","CC(C)COC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C","AECKNGLDPIWXEE-UHFFFAOYSA-N","225223",NA,"PDBC07477","14380","Present"
-"1,3,8-Triazaspiro[4.5]decan-2-one","","","","","","","","","","","","","","","","","","","","CS-D0364","","C1CNCCC12CNC(=O)N2","XLZONOPLKJMTSW-UHFFFAOYSA-N","379975",NA,"PDBC07478","665282","Present"
-"1,3,8-Triazaspiro[4.5]decane-2,4-dione, 3-(hexahydro-1H-azepin-1-yl)-8-methyl-1-phenyl-","","","","","","","","","","","","","","","","","","","","1,3,8-Triazaspiro[4.5]decane-2,4-dione, 3-(hexahydro-1H-azepin-1-yl)-8-methyl-1-phenyl-","","CN1CCC2(CC1)C(=O)N(C(=O)N2C3=CC=CC=C3)N4CCCCCC4","BZGVSMDSAIQMOO-UHFFFAOYSA-N","380273",NA,"PDBC07479","665751","Present"
-"1,3,8-Trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10H-anthracen-9-one","","","","","","","","","","","","","","","","","","","","1,3,8-Trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one","","C1=C(C=C(C2=C1C(C3=C(C2=O)C(=CC(=C3)O)O)C4C(C(C(C(O4)CO)O)O)O)O)CO","VEGRJHHHCVVHLU-UHFFFAOYSA-N","377287",NA,"PDBC07480","658575","Present"
-"1,3,8-Trihydroxy-6-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10H-anthracen-9-one","","","","","","","","","","","","","","","","","","","","1,3,8-Trihydroxy-6-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)O","BCOTZUBWLKWUOG-UHFFFAOYSA-N","377286",NA,"PDBC07481","658574","Present"
-"1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine","","","","","","","","","","","","","","","","","","","","FGSXSCOUEIAMOA-UHFFFAOYSA-N","","CC1=CC(=C2C(=C1)CSCC3=CC(=CC(=C32)C)C)C","FGSXSCOUEIAMOA-UHFFFAOYSA-N","362097",NA,"PDBC07482","625626","Present"
-"1,3,9-Trimethylpyrimido[4,5-b]indole-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3,9-Trimethylpyrimido[4,5-b]indole-2,4-dione","","CN1C2=CC=CC=C2C3=C1N(C(=O)N(C3=O)C)C","OAYVAYZBLXIWAA-UHFFFAOYSA-N","387234",NA,"PDBC07483","680809","Present"
-"1,3-Benzenetriol, 4-(aminomethyl)-, hydriodide","","","","","","","","","","","","","","","","","","","","1,2,3-Benzenetriol, 4-(aminomethyl)-, hydriodide","","C1=CC(=C(C(=C1CN)O)O)O.I","NUJTUEHVRQVGDV-UHFFFAOYSA-N","24199475",NA,"PDBC07484","329097","Present"
-"1,3-Benzodioxol-5-yl 3,4,5-trimethoxybenzoate","","","","","","","","","","","","","","","","","","","","AO-548/43196712","","COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)OCO3","VJSWXKWSJQSRFU-UHFFFAOYSA-N","395506",NA,"PDBC07485","700148","Present"
-"1,3-Benzodioxol-5-yl(5,6,7-trimethoxy-1-isoquinolinyl)methyl benzoate","","","","","","","","","","","","","","","","","","","","1,3-Benzodioxol-5-yl(5,6,7-trimethoxy-1-isoquinolinyl)methyl benzoate","","COC1=C(C(=C2C=CN=C(C2=C1)C(C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=CC=C5)OC)OC","OPPNSDQUATTZJH-DEOSSOPVSA-N","6711456",NA,"PDBC07486","627669","Present"
-"1,3-Benzodioxol-5-yl-(2-methylisoquinolin-2-ium-4-yl)methanol;iodide","","","","","","","","","","","","","","","","","","","","4-[1,3-Benzodioxol-5-yl(hydroxy)methyl]-2-methylisoquinolinium iodide","","C[N+]1=CC2=CC=CC=C2C(=C1)C(C3=CC4=C(C=C3)OCO4)O.[I-]","VHNYUSGXIXDEJP-UHFFFAOYSA-M","371209",NA,"PDBC07487","645259","Present"
-"1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanol","","","","","","","","","","","","","","","","","","","","1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanol","","COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)O","WZHMXZXYQNKDGX-UHFFFAOYSA-N","384223",NA,"PDBC07488","673628","Present"
-"1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","5-(3,4,5-Trimethoxybenzoyl)-1,3-benzodioxole","","COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2)OCO3","OIUSXYOSZDCLLJ-UHFFFAOYSA-N","242314",NA,"PDBC07489","50869","Present"
-"1,3-Benzodioxol-5-yl-(4-methoxyphenyl)methanol","","","","","","","","","","","","","","","","","","","","UJGWKTSSCIBXIB-UHFFFAOYSA-N","","COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)O","UJGWKTSSCIBXIB-UHFFFAOYSA-N","384224",NA,"PDBC07490","673629","Present"
-"1,3-Benzodioxol-5-yl-[4-(3-chlorophenyl)piperazin-1-yl]methanethione","","","","","","","","","","","","","","","","","","","","1,3-Benzodioxol-5-yl[4-(3-chlorophenyl)piperazin-1-yl]methanethione","","C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)C3=CC4=C(C=C3)OCO4","AGCCYFQBWLFQII-UHFFFAOYSA-N","256556",NA,"PDBC07491","83492","Present"
-"1,3-Benzodioxol-5-yl-[4-(3-methylphenyl)piperazin-1-yl]methanethione","","","","","","","","","","","","","","","","","","","","1,3-Benzodioxol-5-yl[4-(3-methylphenyl)piperazin-1-yl]methanethione","","CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC4=C(C=C3)OCO4","XIWWLBIRVKQSQX-UHFFFAOYSA-N","261316",NA,"PDBC07492","93301","Present"
-"1,3-Benzodioxol-5-ylmethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","1,3-Benzodioxol-5-ylmethyl(2r,3s)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate","","C1OC2=C(O1)C=C(C=C2)COC(=O)C(C(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O","VDFKJYXTXADUGL-FCHUYYIVSA-N","361914",NA,"PDBC07493","625349","Present"
-"1,3-Benzodioxole-5-carbaldehyde (5-hydroxy-6-(2-(4-methylphenyl)vinyl)-1,2,4-triazin-3-yl)hydrazone","","","","","","","","","","","","","","","","","","","","1,3-Benzodioxole-5-carbaldehyde (5-hydroxy-6-(2-(4-methylphenyl)vinyl)-1,2,4-triazin-3-yl)hydrazone","","CC1=CC=C(C=C1)C=CC2=NN=C(NC2=O)NN=CC3=CC4=C(C=C3)OCO4","WRYLTUHGJGLBMF-UJYDWOFLSA-N","135493963",NA,"PDBC07494","685127","Present"
-"1,3-Benzothiadiazin-4-amine, N-[4-nitrophenyl)methyl]-, S,S-dioxide","","","","","","","","","","","","","","","","","","","","1,2,3-Benzothiadiazin-4-amine, N-[4-nitrophenyl)methyl]-...","","C1=CC=C2C(=C1)C(=NCC3=CC=C(C=C3)[N+](=O)[O-])NNS2(=O)=O","AVLJRLAMOHNXOD-UHFFFAOYSA-N","135408925",NA,"PDBC07495","645789","Present"
-"1,3-Benzothiazol-2(3H)-ylidenemalononitrile","","","","","","","","","","","","","","","","","","","","1,3 - Benzthiazo - 2(3H)- ylidene Malononitrile","","C1=CC=C2C(=C1)NC(=C(C#N)C#N)S2","VUNPYDYMOWBARG-UHFFFAOYSA-N","641563",NA,"PDBC07496","728029","Present"
-"1,3-Benzothiazol-2-yl 1-benzyl-3-methyl-2-butenyl sulfone","","","","","","","","","","","","","","","","","","","","1,3-Benzothiazol-2-yl 1-benzyl-3-methyl-2-butenyl sulfone","","CC(=CC(CC1=CC=CC=C1)S(=O)(=O)C2=NC3=CC=CC=C3S2)C","WLJOHDSGEBQULH-UHFFFAOYSA-N","384659",NA,"PDBC07497","674704","Present"
-"1,3-Benzothiazol-2-yl 2-chloro-2-phenylethyl sulfone","","","","","","","","","","","","","","","","","","","","1,3-Benzothiazol-2-yl 2-chloro-2-phenylethyl sulfone","","C1=CC=C(C=C1)C(CS(=O)(=O)C2=NC3=CC=CC=C3S2)Cl","GXZFYSUCSDSYJF-UHFFFAOYSA-N","384661",NA,"PDBC07498","674706","Present"
-"1,3-Benzothiazol-2-yl-(3,4,5-trimethoxyphenyl)methanol","","","","","","","","","","","","","","","","","","","","1,3-Benzothiazol-2-yl(3,4,5-trimethoxyphenyl)methanol","","COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3S2)O","WOCWYIDQVMNHRI-UHFFFAOYSA-N","258293",NA,"PDBC07499","87084","Present"
-"1,3-Benzothiazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene","","","","","","","","","","","","","","","","","","","","1,3-Benzothiazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene","","CC(=C1C=CC=CN1O)N=NC2=NC3=CC=CC=C3S2","MAUSMKVTDCHTQS-NPYZNLJBSA-N","6712917",NA,"PDBC07500","720196","Present"
-"1,3-Benzoxazepin-5-ol","","","","","","","","","","","","","","","","","","","","1,3-Benzoxazepin-5-ol","","C1=CC=C2C(=C1)C(=CN=CO2)O","JQHLFKBQDXRCFU-UHFFFAOYSA-N","371950",NA,"PDBC07501","646707","Present"
-"1,3-Benzoxazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene","","","","","","","","","","","","","","","","","","","","1,3-Benzoxazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene","","CC(=C1C=CC=CN1O)N=NC2=NC3=CC=CC=C3O2","YEMUSZWPPSMZQB-NPYZNLJBSA-N","6712918",NA,"PDBC07502","720198","Present"
-"1,3-Bis (o-aminophenoxy)propane dihydrochloride","","","","","","","","","","","","","","","","","","","","1,3-bis (o-aminophenoxy)propane dihydrochloride","","C1=CC=C(C(=C1)N)OCCCOC2=CC=CC=C2N.Cl","AJJQFSAJQBJFFB-UHFFFAOYSA-N","385331",NA,"PDBC07503","676449","Present"
-"1,3-Bis((2,6-difluorobenzoyl)oxy)-1,1,3,3-tetraethyldistannoxane","","","","","","","","","","","","","","","","","","","","[[(2,6-Difluorobenzoyl)oxy-diethyl-stannyl]oxy-diethyl-stannyl] 2,6-difluorobenzoate","","CC[Sn](CC)(OC(=O)C1=C(C=CC=C1F)F)O[Sn](CC)(CC)OC(=O)C2=C(C=CC=C2F)F","JZGXIXXBIRSRTK-UHFFFAOYSA-L","16683196",NA,"PDBC07504","643852","Present"
-"1,3-Bis(1,2,3,4-tetrahydroacridin-9-yl)thiourea","","","","","","","","","","","","","","","","","","","","1,3-Bis(1,2,3,4-tetrahydroacridin-9-yl)thiourea","","C1CCC2=NC3=CC=CC=C3C(=C2C1)NC(=S)NC4=C5CCCCC5=NC6=CC=CC=C64","GMCNXFSROKTTBP-UHFFFAOYSA-N","3005224",NA,"PDBC07505","684146","Present"
-"1,3-Bis(1-(allyloxy)ethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1,3-Bis(1-(allyloxy)ethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione","","CC1=CC(=O)N(C(=O)N1C(C)OCC=C)C(C)OCC=C","LIWJALROXHOYQH-UHFFFAOYSA-N","375737",NA,"PDBC07506","655760","Present"
-"1,3-Bis(1-cyanopropyl)urea","","","","","","","","","","","","","","","","","","","","1,3-Bis(1-cyanopropyl)urea","","CCC(C#N)NC(=O)NC(CC)C#N","RXNWBCSIBLXCEQ-UHFFFAOYSA-N","387723",NA,"PDBC07507","681752","Present"
-"1,3-Bis(2,3,4,5,6-pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazole-2-thione","","","","","","","","","","","","","","","","","","","","1,3-Bis(2,3,4,5,6-pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazole-2-thione","","C1=CC=C2C(=C1)N(C(=S)N2C(=O)C3=C(C(=C(C(=C3F)F)F)F)F)C(=O)C4=C(C(=C(C(=C4F)F)F)F)F","SCOBDOANQAXBJI-UHFFFAOYSA-N","383507",NA,"PDBC07508","671892","Present"
-"1,3-Bis(2,3-dibromopropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione","","","","","","","","","","","","","","","","","","","","1,3-Bis(2,3-dibromopropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione","","CN1C(=O)N(C(=O)N(C1=O)CC(CBr)Br)CC(CBr)Br","MKYAZITYDIOKAN-UHFFFAOYSA-N","398952",NA,"PDBC07509","709321","Present"
-"1,3-Bis(2-hydroxyethylthio)propane","","","","","","","","","","","","","","","","","","","","AK-63905","","C(CSCCO)CSCCO","JIJWGPUMOGBVMQ-UHFFFAOYSA-N","373735",NA,"PDBC07510","650634","Present"
-"1,3-Bis(2-naphthylmethyl)-1H-benzoimidazole-3-ium","","","","","","","","","","","","","","","","","","","","1,3-bis(naphthalen-2-ylmethyl)benzimidazolium bromide","","C1=CC=C2C=C(C=CC2=C1)CN3C=[N+](C4=CC=CC=C43)CC5=CC6=CC=CC=C6C=C5","CYLDVOCLRMKGOU-UHFFFAOYSA-N","129886342",NA,"PDBC07511","788909","Present"
-"1,3-Bis(2-naphthylmethyl)-2-(3-oxo-3-methoxypropyl)-1H-benzoimidazole-3-ium","","","","","","","","","","","","","","","","","","","","2-(3-methoxy-3-oxopropyl)-1,3-bis(naphthalen-2-ylmethyl)...","","COC(=O)CCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","VTUGEUWYJGUNDL-UHFFFAOYSA-N","132547209",NA,"PDBC07512","791486","Present"
-"1,3-Bis(2-naphthylmethyl)-2-[2-(2-methoxyethoxy)ethoxymethyl]-1H-benzoimidazole-3-ium","","","","","","","","","","","","","","","","","","","","2-((2-(2-methoxyethoxy)ethoxy)methyl)-1,3-bis(naphthalen...","","COCCOCCOCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","KCPPBASHHGWPGO-UHFFFAOYSA-N","132547217",NA,"PDBC07513","791489","Present"
-"1,3-Bis(2-naphthylmethyl)-2-butyl-1H-benzoimidazole-3-ium","","","","","","","","","","","","","","","","","","","","2-butyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazolium br...","","CCCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","YZTVTPQZCUBZKM-UHFFFAOYSA-N","132547214",NA,"PDBC07514","791108","Present"
-"1,3-Bis(2-naphthylmethyl)-2-heptyl-1H-benzoimidazole-3-ium","","","","","","","","","","","","","","","","","","","","2-heptyl-1,3-bis(naphthalen-2-ylmethyl)benzo[d]imidazoli...","","CCCCCCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","AWOCFPAYOOPFCU-UHFFFAOYSA-N","132547215",NA,"PDBC07515","791485","Present"
-"1,3-Bis(2-naphthylmethyl)-2-methyl-1H-benzoimidazole-3-ium","","","","","","","","","","","","","","","","","","","","2-methyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazolium b...","","CC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","YKUJXVDTZOENMP-UHFFFAOYSA-N","132547210",NA,"PDBC07516","790464","Present"
-"1,3-Bis(2-naphthylmethyl)-2-propyl-1H-benzoimidazole-3-ium","","","","","","","","","","","","","","","","","","","","1,3-bis(naphthalen-2-ylmethyl)-2-propylbenzimidazolium b...","","CCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","AHNZERGAAJZMNG-UHFFFAOYSA-N","132547212",NA,"PDBC07517","791107","Present"
-"1,3-Bis(2-naphthylmethyl)-4,5-diphenyl-1H-imidazole-3-ium","","","","","","","","","","","","","","","","","","","","1,3-bis(naphthalen-2-ylmethyl)-4,5-diphenylimidazolium b...","","C1=CC=C(C=C1)C2=C([N+](=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7","GXMFVWDNDSTJJU-UHFFFAOYSA-N","132545055",NA,"PDBC07518","788913","Present"
-"1,3-Bis(2-naphthylmethyl)-5,6-dimethyl-1H-benzoimidazole-3-ium","","","","","","","","","","","","","","","","","","","","5,6-dimethyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazoli...","","CC1=CC2=C(C=C1C)[N+](=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","MCFPTOIOYVREMS-UHFFFAOYSA-N","132547208",NA,"PDBC07519","790463","Present"
-"1,3-Bis(2-propynyl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-bis-(prop-2-inyl)-pyrido[2,3-d]pyrimidin-2,4-dione","","C#CCN1C2=C(C=CC=N2)C(=O)N(C1=O)CC#C","PYGXOUYIJYGPMY-UHFFFAOYSA-N","363804",NA,"PDBC07520","629018","Present"
-"1,3-Bis(2-pyridyl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Bis(2-pyridyl)pyrimidine-2,4-dione","","C1=CC=NC(=C1)N2C=CC(=O)N(C2=O)C3=CC=CC=N3","BAYGYYLREWLJIT-UHFFFAOYSA-N","389072",NA,"PDBC07521","684711","Present"
-"1,3-Bis(2-quinolinylmethyl)-5,6-dimethyl-1H-benzoimidazole-3-ium","","","","","","","","","","","","","","","","","","","","5,6-dimethyl-1,3-bis(quinolin-2-ylmethyl)benzimidazolium...","","CC1=CC2=C(C=C1C)[N+](=CN2CC3=NC4=CC=CC=C4C=C3)CC5=NC6=CC=CC=C6C=C5","ADUCMDGDMBGGIC-UHFFFAOYSA-N","132547216",NA,"PDBC07522","790466","Present"
-"1,3-Bis(2-thienylcarbonyl)tetrahydro-2(1H)-pyrimidinethione","","","","","","","","","","","","","","","","","","","","1,3-Bis(2-thienylcarbonyl)tetrahydro-2(1H)-pyrimidinethione","","C1CN(C(=S)N(C1)C(=O)C2=CC=CS2)C(=O)C3=CC=CS3","SOZPTFNWXAYALA-UHFFFAOYSA-N","391224",NA,"PDBC07523","690121","Present"
-"1,3-Bis(3,4-dichlorophenyl)urea","","","","","","","","","","","","","","","","","","","","NSC35217///NSC766782","","C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl","ZDPIZPXVHVYTOK-UHFFFAOYSA-N","95783",NA,"PDBC07524","35217///766782","Present"
-"1,3-Bis(3,5-dimethoxyphenyl)-1,3-propanedione","","","","","","","","","","","","","","","","","","","","1,3-Bis(3,5-dimethoxyphenyl)-1,3-propanedione","","COC1=CC(=CC(=C1)C(=O)CC(=O)C2=CC(=CC(=C2)OC)OC)OC","IDUBITABPMAFNI-UHFFFAOYSA-N","375618",NA,"PDBC07525","655440","Present"
-"1,3-Bis(3-aminothiophen-2-yl)-5-butylthieno[3,4-c]pyrrole-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Bis(3-aminothiophen-2-yl)-5-butylthieno[3,4-c]pyrrole-4,6-dione","","CCCCN1C(=O)C2=C(SC(=C2C1=O)C3=C(C=CS3)N)C4=C(C=CS4)N","AOTFGWYTHGAPSJ-UHFFFAOYSA-N","396289",NA,"PDBC07526","701987","Present"
-"1,3-Bis(3-chlorophenyl)propane-1,3-dione","","","","","","","","","","","","","","","","","","","","1,3-propanedione, 1,3-bis(3-chlorophenyl)- (9ci)","","C1=CC(=CC(=C1)Cl)C(=O)CC(=O)C2=CC(=CC=C2)Cl","MGMNGNDIJHTGOF-UHFFFAOYSA-N","226782",NA,"PDBC07527","17550","Present"
-"1,3-Bis(3-chlorophenyl)urea","","","","","","","","","","","","","","","","","","","","mClPU","","C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC(=CC=C2)Cl","HMOUVTOOMLBCPQ-UHFFFAOYSA-N","139410",NA,"PDBC07528","69625","Present"
-"1,3-Bis(3-fluoro-3,3-dinitro-propyl)urea","","","","","","","","","","","","","","","","","","","","1,3-Bis(3-fluoro-3,3-dinitro-propyl)urea","","C(CNC(=O)NCCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F","HUASEIIZGIXOQW-UHFFFAOYSA-N","388361",NA,"PDBC07529","683256","Present"
-"1,3-Bis(3-hydroxy-2-methyl-3-phenylpropanoyl)-4,5-diphenylimidazolidin-2-one","","","","","","","","","","","","","","","","","","","","1,3-Bis(3-hydroxy-2-methyl-3-phenylpropanoyl)-4,5-diphenylimidazolidin-2-one","","CC(C(C1=CC=CC=C1)O)C(=O)N2C(C(N(C2=O)C(=O)C(C)C(C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5","VPYJTJAWJILYBY-UHFFFAOYSA-N","376198",NA,"PDBC07530","656733","Present"
-"1,3-Bis(3-hydroxy-2-methyl-3-phenylpropanoyl)octahydro-2H-benzimidazol-2-one","","","","","","","","","","","","","","","","","","","","1,3-Bis(3-hydroxy-2-methyl-3-phenylpropanoyl)octahydro-2H-benzimidazol-2-one","","CC(C(C1=CC=CC=C1)O)C(=O)N2C3CCCCC3N(C2=O)C(=O)C(C)C(C4=CC=CC=C4)O","BCOSTXOXKZBHIP-UHFFFAOYSA-N","376197",NA,"PDBC07531","656732","Present"
-"1,3-Bis(3-methylisoquinolin-2-ium-2-yl)propan-2-ol;bromide","","","","","","","","","","","","","","","","","","","","1,3-Bis(3-methylisoquinolin-2-ium-2-yl)propan-2-ol;bromide","","CC1=CC2=CC=CC=C2C=[N+]1CC(C[N+]3=CC4=CC=CC=C4C=C3C)O.[Br-]","HDWJFOKPYBZWLD-UHFFFAOYSA-M","5351739",NA,"PDBC07532","34352","Present"
-"1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)benzene","","","","","","","","","","","","","","","","","","","","1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)benzene","","CC1(COC(=N1)C2=CC(=CC=C2)C3=NC(CO3)(C)C)C","MUBZACKCHQIRSY-UHFFFAOYSA-N","395337",NA,"PDBC07533","699819","Present"
-"1,3-Bis(4-aminophenyl)adamantane","","","","","","","","","","","","","","","","","","","","1,3-bis(4-aminophenyl)adamantane","","C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)N)C5=CC=C(C=C5)N","LALHUWOVOZGIAW-UHFFFAOYSA-N","399967",NA,"PDBC07534","711119","Present"
-"1,3-Bis(4-bromophenyl)thiourea","","","","","","","","","","","","","","","","","","","","1,3-Bis(4-bromophenyl)thiourea","","C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Br)Br","RQVXFYAPGIMASB-UHFFFAOYSA-N","3652630",NA,"PDBC07535","28608","Present"
-"1,3-Bis(4-chlorobenzyl)-2-(9-phenanthryl)hexahydropyrimidine","","","","","","","","","","","","","","","","","","","","1,3-bis(4-chlorobenzyl)-2-(phenanthren-9-yl)hexahydropyr...","","C1CN(C(N(C1)CC2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4C5=CC=CC=C53)CC6=CC=C(C=C6)Cl","ILRCCCMLZKMQGT-UHFFFAOYSA-N","254860",NA,"PDBC07536","79563","Present"
-"1,3-Bis(4-chlorophenyl)-3-phenylpropan-1-ol","","","","","","","","","","","","","","","","","","","","1,3-Bis(4-chlorophenyl)-3-phenylpropan-1-ol","","C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)Cl","TVYRTICGBVJCSU-UHFFFAOYSA-N","402437",NA,"PDBC07537","716407","Present"
-"1,3-Bis(4-fluorobenzoyl)-2H-benzimidazole-2-carbonitrile","","","","","","","","","","","","","","","","","","","","1,3-Bis(4-fluorobenzoyl)-2H-benzimidazole-2-carbonitrile","","C1=CC=C2C(=C1)N(C(N2C(=O)C3=CC=C(C=C3)F)C#N)C(=O)C4=CC=C(C=C4)F","OHBVJNDFWZIINQ-UHFFFAOYSA-N","387704",NA,"PDBC07538","681733","Present"
-"1,3-Bis(4-methoxyphenyl)-2,8-dithioxo-7,9-dihydropurin-6-one","","","","","","","","","","","","","","","","","","","","1,3-Bis(4-methoxyphenyl)-2,8-dithioxo-7,9-dihydropurin-6-one","","COC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=C(C=C4)OC)NC(=S)N3","YPDJENYJTBLSFD-UHFFFAOYSA-N","3005265",NA,"PDBC07539","687727","Present"
-"1,3-Bis(4-methoxyphenyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one","","","","","","","","","","","","","","","","","","","","1,3-Bis(4-methoxyphenyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one","","COC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=C(C=C4)OC)NC=N3","TWHUKSRQQPUDAA-UHFFFAOYSA-N","390383",NA,"PDBC07540","687725","Present"
-"1,3-Bis(4-methyl-1,3-thiazol-2-yl)-2-(2-morpholin-4-ylethyl)guanidine","","","","","","","","","","","","","","","","","","","","1,3-Bis(4-methyl-1,3-thiazol-2-yl)-2-[2-(morpholin-4-yl)ethyl]guanidine","","CC1=CSC(=N1)NC(=NCCN2CCOCC2)NC3=NC(=CS3)C","PQBDFTJWAIRXGD-UHFFFAOYSA-N","360532",NA,"PDBC07541","622667","Present"
-"1,3-Bis(4-quinolyl)-2-(2,5-dimethoxyphenyl)propane","","","","","","","","","","","","","","","","","","","","1,3-Bis(4-quinolyl)-2-(2,5-dimethoxyphenyl)propane","","COC1=CC(=C(C=C1)OC)C(CC2=CC=NC3=CC=CC=C23)CC4=CC=NC5=CC=CC=C45","VWXFLVJKLMLMEG-UHFFFAOYSA-N","378782",NA,"PDBC07542","661957","Present"
-"1,3-Bis(5,6-dihydroxy-2-naphthalenecarboxamido)propane","","","","","","","","","","","","","","","","","","","","1,3-Bis(5,6-dihydroxy-2-naphthalenecarboxamido)propane","","C1=CC2=C(C=CC(=C2O)O)C=C1C(=O)NCCCNC(=O)C3=CC4=C(C=C3)C(=C(C=C4)O)O","BQROATPHCLGYEJ-UHFFFAOYSA-N","390998",NA,"PDBC07543","689404","Present"
-"1,3-Bis(5,6-dimethoxy-2-naphthalenecarboxamido)propane","","","","","","","","","","","","","","","","","","","","1,3-Bis(5,6-dimethoxy-2-naphthalenecarboxamido)propane","","COC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NCCCNC(=O)C3=CC4=C(C=C3)C(=C(C=C4)OC)OC)OC","NACSYYRNSZHXNL-UHFFFAOYSA-N","391009",NA,"PDBC07544","689417","Present"
-"1,3-Bis(6,7-dimethoxy-2-naphthalenecarboxamido)propane","","","","","","","","","","","","","","","","","","","","1,3-Bis(6,7-dimethoxy-2-naphthalenecarboxamido)propane","","COC1=C(C=C2C=C(C=CC2=C1)C(=O)NCCCNC(=O)C3=CC4=CC(=C(C=C4C=C3)OC)OC)OC","NRGIHWUBMXHLNA-UHFFFAOYSA-N","387002",NA,"PDBC07545","680315","Present"
-"1,3-Bis(6,7-hydroxy-2-naphthalenecarboxamido)propane","","","","","","","","","","","","","","","","","","","","1,3-Bis(6,7-hydroxy-2-naphthalenecarboxamido)propane","","C1=CC(=CC2=CC(=C(C=C21)O)O)C(=O)NCCCNC(=O)C3=CC4=CC(=C(C=C4C=C3)O)O","ALWHTIREUNWMMD-UHFFFAOYSA-N","387006",NA,"PDBC07546","680319","Present"
-"1,3-Bis(6-methoxy-2-naphthalenecarboxamido)propane","","","","","","","","","","","","","","","","","","","","1,3-Bis(6-methoxy-2-naphthalenecarboxamido)propane","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)NCCCNC(=O)C3=CC4=C(C=C3)C=C(C=C4)OC","KBKKDVJPBSYMDW-UHFFFAOYSA-N","387000",NA,"PDBC07547","680313","Present"
-"1,3-Bis(7-chloroquinolin-4-ylamino)propan-2-ol","","","","","","","","","","","","","","","","","","","","1,3-Bis(7-chloroquinolin-4-ylamino)propan-2-ol","","C1=CC2=C(C=CN=C2C=C1Cl)NCC(CNC3=C4C=CC(=CC4=NC=C3)Cl)O","ALJKMVZFTOFZCQ-UHFFFAOYSA-N","221231",NA,"PDBC07548","5485","Present"
-"1,3-Bis(cyclohexylideneamino)urea","","","","","","","","","","","","","","","","","","","","1,3-Bis(cyclohexylideneamino)urea","","C1CCC(=NNC(=O)NN=C2CCCCC2)CC1","LFEPNCLITCQCAU-UHFFFAOYSA-N","381047",NA,"PDBC07549","667066","Present"
-"1,3-Bis(naphthalen-2-ylmethyl)-2-phenylimidazol-1-ium","","","","","","","","","","","","","","","","","","","","1,3-bis(naphthalen-2-ylmethyl)-2-phenylimidazolium bromide","","C1=CC=C(C=C1)C2=[N+](C=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","WHLQLQBRQRQXMO-UHFFFAOYSA-N","134143455",NA,"PDBC07550","790461","Present"
-"1,3-Bis(naphthalen-2-ylmethyl)-2-propylimidazol-1-ium","","","","","","","","","","","","","","","","","","","","1,3-bis(naphthalen-2-ylmethyl)-2-propylimidazolium bromide","","CCCC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","VMPJGLOMFGNJMH-UHFFFAOYSA-N","137628967",NA,"PDBC07551","790459","Present"
-"1,3-Bis(naphthalen-2-ylmethyl)imidazol-1-ium","","","","","","","","","","","","","","","","","","","","1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide","","C1=CC=C2C=C(C=CC2=C1)CN3C=C[N+](=C3)CC4=CC5=CC=CC=C5C=C4","MRYKHZPXQWUCDY-UHFFFAOYSA-N","46185647",NA,"PDBC07552","788911","Present"
-"1,3-Bis(o-tolyl)-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one","","","","","","","","","","","","","","","","","","","","1,3-Bis(o-tolyl)-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one","","CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3C5CCCO5","ZJVYHEIWKNMKTK-UHFFFAOYSA-N","387938",NA,"PDBC07553","682243","Present"
-"1,3-Bis(prop-2-ynyl)quinazoline-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Bis(prop-2-inyl)-quinazolin-2,4-(1H,3H)-dione","","C#CCN1C2=CC=CC=C2C(=O)N(C1=O)CC#C","YYQPTCSSUWHYOB-UHFFFAOYSA-N","378826",NA,"PDBC07554","662144","Present"
-"1,3-Bis[(2-chlorophenyl)methyl]-5-[1-[[(1R)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Bis[(2-chlorophenyl)methyl]-5-[1-[[(1R)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione","","C=CCC(C1=CN(C(=O)N(C1=O)CC2=CC=CC=C2Cl)CC3=CC=CC=C3Cl)NC(CO)C4=CC=CC=C4","RGCWMUIONDSNMA-CPRJBALCSA-N","24205358",NA,"PDBC07555","735307","Present"
-"1,3-Bis[(2-chlorophenyl)methyl]-5-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Bis[(2-chlorophenyl)methyl]-5-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione","","C=CCC(C1=CN(C(=O)N(C1=O)CC2=CC=CC=C2Cl)CC3=CC=CC=C3Cl)NC(CO)C4=CC=CC=C4","RGCWMUIONDSNMA-PLYLYKGUSA-N","24205357",NA,"PDBC07556","735306","Present"
-"1,3-Bis[(2R,5R,6R)-6-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]urea","","","","","","","","","","","","","","","","","","","","1,3-Bis[(2R,5R,6R)-6-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]urea","","CC1(C(N2CC(C2S1)N3C(=O)C4=CC=CC=C4C3=O)NC(=O)NC5C(SC6N5CC6N7C(=O)C8=CC=CC=C8C7=O)(C)C)C","FWTMQQPVXHJRFT-WUFZQGJCSA-N","277769",NA,"PDBC07557","126778","Present"
-"1,3-Bis[(E)-(2,4,5-trimethoxyphenyl)methyleneamino]urea","","","","","","","","","","","","","","","","","","","","1,3-Bis[(E)-(2,4,5-trimethoxyphenyl)methyleneamino]urea","","COC1=CC(=C(C=C1C=NNC(=O)NN=CC2=CC(=C(C=C2OC)OC)OC)OC)OC","COBHFOZCUGMGOE-LCHFAGMQSA-N","9555306",NA,"PDBC07558","292927","Present"
-"1,3-Bis[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","1,3-Bis[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine","","CCOC1=CC=CC=C1C=NNC(=NN=CC2=CC=CC=C2OCC)NN=CC3=CC=CC=C3OCC","GPCZJBXGTLTMBP-QYGJAIEKSA-N","54599024",NA,"PDBC07559","68156","Present"
-"1,3-Bis[(E)-(2-methoxyphenyl)methylideneamino]-2-[(Z)-(2-methoxyphenyl)methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","1,3-Bis[(E)-(2-methoxyphenyl)methylideneamino]-2-[(Z)-(2-methoxyphenyl)methylideneamino]guanidine","","COC1=CC=CC=C1C=NNC(=NN=CC2=CC=CC=C2OC)NN=CC3=CC=CC=C3OC","SKDKPMWRWWHHRD-ZOIJIARLSA-N","54612072",NA,"PDBC07560","69554","Present"
-"1,3-Bis[(E)-(4-bromophenyl)methyleneamino]urea","","","","","","","","","","","","","","","","","","","","1,3-Bis[(E)-(4-bromophenyl)methyleneamino]urea","","C1=CC(=CC=C1C=NNC(=O)NN=CC2=CC=C(C=C2)Br)Br","HOVJSLVQBXFGGS-VNIJRHKQSA-N","9571579",NA,"PDBC07561","683856","Present"
-"1,3-Bis[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]urea","","","","","","","","","","","","","","","","","","","","1,3-Bis[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]urea","","C1=CC(=C(C=C1Br)C=NNC(=O)NN=CC2=C(C=CC(=C2)Br)O)O","UXBYQJIQRYVDEN-NDILIQOGSA-N","135429959",NA,"PDBC07562","626628","Present"
-"1,3-Bis[(E)-1-pyridin-2-ylethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","NSC673827","","CC(=NNC(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2","UBBOXIBGRVPYES-GDAWTGGTSA-N","5466066",NA,"PDBC07563","673827","Present"
-"1,3-Bis[(E)-1-pyridin-2-ylethylideneamino]urea","","","","","","","","","","","","","","","","","","","","NSC673828","","CC(=NNC(=O)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2","CBUHUPNGOTYTLJ-GDAWTGGTSA-N","5466067",NA,"PDBC07564","673828","Present"
-"1,3-Bis[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1,3-Bis[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)C=NNC(=N)NN=CC4=C(N=C5N4C=C(S5)Cl)C6=CC(=C(C=C6OC)[N+](=O)[O-])OC)OC)[N+](=O)[O-].Cl","WZISMQIHUCUIJG-WBKVQKAISA-N","135580407",NA,"PDBC07565","734184","Present"
-"1,3-Bis[(E)-cinnamyl]-2-thioxo-pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","1,3-Bis[(E)-cinnamyl]-2-thioxo-pyrimidin-4-one","","C1=CC=C(C=C1)C=CCN2C=CC(=O)N(C2=S)CC=CC3=CC=CC=C3","LMJDRRZKQIAUGW-FNCQTZNRSA-N","5468994",NA,"PDBC07566","681075","Present"
-"1,3-Bis[(E)-dimethylsulfamoyliminomethyl]benzene","","","","","","","","","","","","","","","","","","","","1,3-Bis[(E)-dimethylsulfamoyliminomethyl]benzene","","CN(C)S(=O)(=O)N=CC1=CC(=CC=C1)C=NS(=O)(=O)N(C)C","YVEUTFCURGCAEP-UTLPMFLDSA-N","9572083",NA,"PDBC07567","702422","Present"
-"1,3-Bis[(Z)-[(E)-1-(4-chlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride","","","","","","","","","","","","","","","","","","","","1,3-Bis[(Z)-[(E)-1-(4-chlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride","","CC(C)(CN1CCCCC1)C(=NNC(=O)NN=C(C=CC2=CC=C(C=C2)Cl)C(C)(C)CN3CCCCC3)C=CC4=CC=C(C=C4)Cl.Cl","VUKIXGDYBZEWSX-WBBKZSMVSA-N","6519178",NA,"PDBC07568","681135","Present"
-"1,3-Bis[(Z)-[(E)-4,4-dimethyl-1-phenyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride","","","","","","","","","","","","","","","","","","","","1,3-Bis[(Z)-[(E)-4,4-dimethyl-1-phenyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride","","CC(C)(CN1CCCCC1)C(=NNC(=O)NN=C(C=CC2=CC=CC=C2)C(C)(C)CN3CCCCC3)C=CC4=CC=CC=C4.Cl","JRPAYIBHGNZKTJ-ITDBCYDBSA-N","6519176",NA,"PDBC07569","681134","Present"
-"1,3-Bis[2-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]urea","","","","","","","","","","","","","","","","","","","","1,3-Bis[2-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]urea","","C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)NC5=CC6=C(C=C5)NC(=C6)C(=O)N7CC(C8=C7C=C(C9=CC=CC=C98)[N+](=O)[O-])CCl)C=C(C1=CC=CC=C12)[N+](=O)[O-])CCl","FSSMHHIZSUYNCB-UHFFFAOYSA-N","4400021",NA,"PDBC07570","700641","Present"
-"1,3-Bis[2-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]urea","","","","","","","","","","","","","","","","","","","","1,3-Bis[2-[5-amino-1-(chloromethyl)1,2-dihydrobenzo[e]indole-3-carbonyl]-1h-indol-5-yl]urea","","C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)NC5=CC6=C(C=C5)NC(=C6)C(=O)N7CC(C8=C7C=C(C9=CC=CC=C98)N)CCl)C=C(C1=CC=CC=C12)N)CCl","MHWKSYHMRXRKFJ-UHFFFAOYSA-N","396192",NA,"PDBC07571","701743","Present"
-"1,3-Bis[3-(1-piperidin-1-ylcyclohexyl)phenyl]thiourea","","","","","","","","","","","","","","","","","","","","1,3-Bis[3-(1-piperidin-1-ylcyclohexyl)phenyl]thiourea","","C1CCC(CC1)(C2=CC(=CC=C2)NC(=S)NC3=CC=CC(=C3)C4(CCCCC4)N5CCCCC5)N6CCCCC6","SLZBNDXHHFHIET-UHFFFAOYSA-N","5471064",NA,"PDBC07572","708072","Present"
-"1,3-Bis[4-(1H-benzimidazol-2-yl)phenyl]thiourea","","","","","","","","","","","","","","","","","","","","N,N' Bis{2-(4-phenylene)benzimidazole}thiourea","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","AKZHWPFIZJUYJK-UHFFFAOYSA-N","24202654",NA,"PDBC07573","725658","Present"
-"1,3-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane","","","","","","","","","","","","","","","","","","","","1,3-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane","","C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=CC(=C(C=C5)N)O)C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O","GZCBJBVZOBEEQS-UHFFFAOYSA-N","397910",NA,"PDBC07574","706835","Present"
-"1,3-Bis[4-(4-aminophenoxy)phenyl]adamantane","","","","","","","","","","","","","","","","","","","","1,3-Bis[4-(4-aminophenoxy)phenyl]adamantane","","C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=CC=C(C=C5)N)C6=CC=C(C=C6)OC7=CC=C(C=C7)N","IJRQWQGZNCDRLF-UHFFFAOYSA-N","397908",NA,"PDBC07575","706833","Present"
-"1,3-Bis[5-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methylpyrazol-3-yl]urea","","","","","","","","","","","","","","","","","","","","1,3-Bis[5-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methyl-pyrazol-3-yl]urea","","CN1C(=CC(=N1)C(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)[N+](=O)[O-])CCl)NC(=O)NC5=CC(=NN5C)C(=O)N6CC(C7=C6C=C(C8=CC=CC=C87)[N+](=O)[O-])CCl","QNMREJCPAUCHMX-UHFFFAOYSA-N","395798",NA,"PDBC07576","700642","Present"
-"1,3-Bis[5-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methylpyrazol-3-yl]urea","","","","","","","","","","","","","","","","","","","","1,3-Bis[5-[5-amino-1-(chloromethyl)1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methyl-pyrazol-3-yl]urea","","CN1C(=CC(=N1)C(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl)NC(=O)NC5=CC(=NN5C)C(=O)N6CC(C7=C6C=C(C8=CC=CC=C87)N)CCl","NVDGQLMNXXSKEI-UHFFFAOYSA-N","396193",NA,"PDBC07577","701744","Present"
-"1,3-Bis[[4-(1-adamantyl)-3-hydroxyphenyl]methyl]-5-fluoropyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Bis[[4-(1-adamantyl)-3-hydroxyphenyl]methyl]-5-fluoropyrimidine-2,4-dione","","C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=C(C(=O)N(C5=O)CC6=CC(=C(C=C6)C78CC9CC(C7)CC(C9)C8)O)F)O","GIWBLCSZLREDPG-UHFFFAOYSA-N","45027977",NA,"PDBC07578","740413","Present"
-"1,3-Butadiene-1,1-diamine, 4-chloro-N1,N1-bis(2,4-dimethylphenyl)-2,4-dinitro-, (3Z)-","","","","","","","","","","","","","","","","","","","","1,3-Butadiene-1,1-diamine, 4-chloro-N1,N1-bis(2,4-dimethylphenyl)-2,4-dinitro-, (3Z)-","","CC1=CC(=C(C=C1)NC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])NC2=C(C=C(C=C2)C)C)C","HONRPGCBNDNNAV-YBFXNURJSA-N","5971834",NA,"PDBC07579","673141","Present"
-"1,3-Cyclobutanedithione, 2,2,4,4-tetramethyl-","","","","","","","","","","","","","","","","","","","","1,3-Cyclobutanedithione, 2,2,4,4-tetramethyl-","","CC1(C(=S)C(C1=S)(C)C)C","WHXVCQHNIQHNMM-UHFFFAOYSA-N","139102",NA,"PDBC07580","361243","Present"
-"1,3-Cyclohexanedione, 2-[(2,6-dioxocyclohexyl)methyl]-5,5-dimethyl-","","","","","","","","","","","","","","","","","","","","1,3-Cyclohexanedione, 2-[(2,6-dioxocyclohexyl)methyl]-5,5-dimethyl-","","CC1(CC(=O)C(C(=O)C1)CC2C(=O)CCCC2=O)C","WUXYAFPKNLJIIM-UHFFFAOYSA-N","372141",NA,"PDBC07581","647095","Present"
-"1,3-Di(1H-pyrazol-4-yl)benzene","","","","","","","","","","","","","","","","","","","","CS-0110392","","C1=CC(=CC(=C1)C2=CNN=C2)C3=CNN=C3","GSRYHHVNYJOBBE-UHFFFAOYSA-N","361746",NA,"PDBC07582","625012","Present"
-"1,3-Di(2-furoyl)tetrahydro-2(1H)-pyrimidinethione","","","","","","","","","","","","","","","","","","","","1,3-Di(2-furoyl)tetrahydro-2(1H)-pyrimidinethione","","C1CN(C(=S)N(C1)C(=O)C2=CC=CO2)C(=O)C3=CC=CO3","HUZXVVNHWRZYPD-UHFFFAOYSA-N","391223",NA,"PDBC07583","690120","Present"
-"1,3-Di(2-phenoxyethyl)-5-(2-methylphenylamino)uracil","","","","","","","","","","","","","","","","","","","","1,3-Di(2-phenoxyethyl)-5-(2-methylphenylamino)uracil","","CC1=CC=CC=C1NC2=CN(C(=O)N(C2=O)CCOC3=CC=CC=C3)CCOC4=CC=CC=C4","JTRDAAUWAHJVSQ-UHFFFAOYSA-N","395056",NA,"PDBC07584","699245","Present"
-"1,3-Di(2-phenoxyethyl)-5-(3-methylphenylamino)uracil","","","","","","","","","","","","","","","","","","","","1,3-Di(2-phenoxyethyl)-5-(3-methylphenylamino)uracil","","CC1=CC(=CC=C1)NC2=CN(C(=O)N(C2=O)CCOC3=CC=CC=C3)CCOC4=CC=CC=C4","OGAHEIVYTBLGBU-UHFFFAOYSA-N","395058",NA,"PDBC07585","699247","Present"
-"1,3-Di(2-phenoxyethyl)-5-(phenylamino)uracil","","","","","","","","","","","","","","","","","","","","1,3-Di(2-phenoxyethyl)-5-(phenylamino)uracil","","C1=CC=C(C=C1)NC2=CN(C(=O)N(C2=O)CCOC3=CC=CC=C3)CCOC4=CC=CC=C4","XLNCLVDQZABSTJ-UHFFFAOYSA-N","395055",NA,"PDBC07586","699244","Present"
-"1,3-Di-6-quinolylurea","","","","","","","","","","","","","","","","","","","","babesan","","C1=CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)N=CC=C4)N=C1","MJNIRKGFUIUCQO-UHFFFAOYSA-N","68281",NA,"PDBC07587","71881","Present"
-"1,3-Di-o-tolylguanidine","","","","","","","","","","","","","","","","","","","","dotg","","CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N","OPNUROKCUBTKLF-UHFFFAOYSA-N","7333",NA,"PDBC07588","473","Present"
-"1,3-Diacetyl-2-(5-(1,3-diacetyl-2,3-dihydro-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl)-2,3-dihydro-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","1-[3-Acetyl-2-[5-(1,3-diacetyl-2H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-2H-benzimidazol-1-yl]ethanone","","CC(=O)N1C(N(C2=CC=CC=C21)C(=O)C)C3=CC=C(N3)C4N(C5=CC=CC=C5N4C(=O)C)C(=O)C","ZFYNBVLUAWWQRJ-UHFFFAOYSA-N","361883",NA,"PDBC07589","625228","Present"
-"1,3-Diamino-5-methylphenazinium chloride","","","","","","","","","","","","","","","","","","","","sn 967","","C[N+]1=C2C=C(C=C(C2=NC3=CC=CC=C31)N)N.[Cl-]","ULNMZMBBJRBGLM-UHFFFAOYSA-N","14132",NA,"PDBC07590","33419","Present"
-"1,3-Diaminopropan-2-ol;2,3,4,5,6-pentachlorophenol","","","","","","","","","","","","","","","","","","","","1,3-Diaminopropan-2-ol;2,3,4,5,6-pentachlorophenol","","C(C(CN)O)N.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O","IPPHEMKWEPRJKI-UHFFFAOYSA-N","253981",NA,"PDBC07591","77554","Present"
-"1,3-Diazaspiro[4.6]undecane-2,4-dione","","","","","","","","","","","","","","","","","","","","NSC669779","","C1CCCC2(CC1)C(=O)NC(=O)N2","DEXMKKYRTKSOCW-UHFFFAOYSA-N","229298",NA,"PDBC07592","669779","Present"
-"1,3-Diazepane-2,5-dione","","","","","","","","","","","","","","","","","","","","1,3-Diazepane-2,5-dione","","C1CNC(=O)NCC1=O","DOJDYQPYAOEMAG-UHFFFAOYSA-N","331378",NA,"PDBC07593","323231","Present"
-"1,3-Diazido-2-propanol","","","","","","","","","","","","","","","","","","","","CCRIS 3912","","C(C(CN=[N+]=[N-])O)N=[N+]=[N-]","MNVPEHHHGCEGFZ-UHFFFAOYSA-N","151367",NA,"PDBC07594","30408","Present"
-"1,3-Dibenzoyl-2-methyl-2,3-dihydro-1H-benzimidazole-2-carbonitrile","","","","","","","","","","","","","","","","","","","","1,3-Dibenzoyl-2-methyl-2,3-dihydro-1H-benzimidazole-2-carbonitrile","","CC1(N(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N","MQEFBVUAOPDQPO-UHFFFAOYSA-N","384261",NA,"PDBC07595","673807","Present"
-"1,3-Dibenzoylbenzene","","","","","","","","","","","","","","","","","","","","NSC631642","","C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3","MJQHDSIEDGPFAM-UHFFFAOYSA-N","77388",NA,"PDBC07596","631642","Present"
-"1,3-Dibenzyl-1,3-dihydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","","","","","","","","","","","","","","","","","","","1,3-Dibenzyl-1,3-dihydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","C1=CC=C(C=C1)CN2C3=C(C(=O)NC3=O)N(C2=O)CC4=CC=CC=C4","MGFIMCFURALMFZ-UHFFFAOYSA-N","369307",NA,"PDBC07597","641061","Present"
-"1,3-Dibenzyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one","","","","","","","","","","","","","","","","","","","","1,3-Dibenzyltetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one","","C1C2C(CS1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4","XOBCWQNPTJKLRJ-UHFFFAOYSA-N","392715",NA,"PDBC07598","693433","Present"
-"1,3-Dibenzyl-4,5-diphenyl-2H-imidazol-2-ide;gold(1+);(2S,4R,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate","","","","","","","","","","","","","","","","","","","","(1,3-Dibenzyl-4,5-diphenyl-imidazol-2-ylidene) gold(I)-(...","","CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[CH-]1N(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Au+]","CSRFYMKBBCKSKH-VEWCFQQUSA-M","155816249",NA,"PDBC07599","778654","Present"
-"1,3-Dibenzyl-4,5-diphenyl-2H-imidazol-2-ide;gold(1+);3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate","","","","","","","","","","","","","","","","","","","","1,3-dibenzyl-4,5-diphenyl-imidazol-2-ylidene gold(I) 2',...///NSC800018","","CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[CH-]1N(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Au+]","CSRFYMKBBCKSKH-UHFFFAOYSA-M","155815080",NA,"PDBC07600","791326///800018","Present"
-"1,3-Dibenzyl-4,5-diphenyl-2H-imidazol-2-ide;gold(1+);thiocyanate","","","","","","","","","","","","","","","","","","","","(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) th...","","[CH-]1N(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.C(#N)[S-].[Au+]","ZJCYQSOWEXKXBB-UHFFFAOYSA-M","155811015",NA,"PDBC07601","791197","Present"
-"1,3-Dibenzyl-5-((phenylsulfonyl)oxy)tetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","","","","","","","","","","","","","","","","","","","1,3-Dibenzyl-5-((phenylsulfonyl)oxy)tetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","C1=CC=C(C=C1)CN2C3C(C(=O)N(C3=O)OS(=O)(=O)C4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5","ZNQXPIBRCRGKBW-UHFFFAOYSA-N","365908",NA,"PDBC07602","634029","Present"
-"1,3-Dibenzyl-5-(carbamoylamino)-2-oxoimidazolidine-4-carboxamide","","","","","","","","","","","","","","","","","","","","1,3-Dibenzyl-5-(carbamoylamino)-2-oxoimidazolidine-4-carboxamide","","C1=CC=C(C=C1)CN2C(C(N(C2=O)CC3=CC=CC=C3)NC(=O)N)C(=O)N","BLYMWRSCLIWUIL-UHFFFAOYSA-N","368267",NA,"PDBC07603","638723","Present"
-"1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-morpholinopropyl)amino]pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-morpholinopropyl)amino]pyrimidine-2,4(1H,3H)-dione","","C1COCCN1CC(CNC2=C(C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)O","DJTLOPKCJKXUQN-UHFFFAOYSA-N","11628216",NA,"PDBC07604","735029","Present"
-"1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-pyrrolizinopropyl)amino]pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","5-Benzoyl-1,3-dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione","","C1CCN(C1)CC(CNC2=C(C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)O","VMHYHABHEHQWJM-UHFFFAOYSA-N","11599109",NA,"PDBC07605","735032","Present"
-"1,3-Dibenzyl-5-hydroxytetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","","","","","","","","","","","","","","","","","","","1,3-Dibenzyl-5-hydroxytetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","C1=CC=C(C=C1)CN2C3C(C(=O)N(C3=O)O)N(C2=O)CC4=CC=CC=C4","PNWCGRZCAGUPRZ-UHFFFAOYSA-N","365906",NA,"PDBC07606","634027","Present"
-"1,3-Dibenzyl-6-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Dibenzyl-6-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]pyrimidine-2,4-dione","","C1COCCN1CC(CNC2=CC(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)O","KDGPZSQYNQKUNC-UHFFFAOYSA-N","11532496",NA,"PDBC07607","735028","Present"
-"1,3-Dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione","","C1CCN(C1)CC(CNC2=CC(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)O","HAJHEWRQJQZOMA-UHFFFAOYSA-N","11683496",NA,"PDBC07608","735030","Present"
-"1,3-Dibenzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","","","","","","","","","","","","","","","","","","","1,3-Dibenzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","C1=CC=C(C=C1)CN2C3C(C(=O)NC3=O)N(C2=O)CC4=CC=CC=C4","ASZIFAJFLZLKOH-UHFFFAOYSA-N","365905",NA,"PDBC07609","634026","Present"
-"1,3-Dibromo-5,5-dihydroxy-4H-cyclopenta[c]thiophene-4,6(5H)-dione","","","","","","","","","","","","","","","","","","","","1,3-Dibromo-5,5-dihydroxy-cyclopenta[c]thiophene-4,6-dione","","C12=C(SC(=C1C(=O)C(C2=O)(O)O)Br)Br","CPYBQJIFYCVZDC-UHFFFAOYSA-N","399789",NA,"PDBC07610","710884","Present"
-"1,3-Dibromo-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","1,3-Dibromo-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diamine hydrochloride","","C1C(C2=C(SC(=C2C1N)Br)Br)N.Cl","XFSGDQCOXWFDLR-UHFFFAOYSA-N","396935",NA,"PDBC07611","704118","Present"
-"1,3-Dibromo-5-(dimethylaminomethylidene)cyclopenta[c]thiophene-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Dibromo-5-(dimethylaminomethylene)cyclopenta[c]thiophene-4,6-dione","","CN(C)C=C1C(=O)C2=C(SC(=C2C1=O)Br)Br","DNTYPWIBBFUMAJ-UHFFFAOYSA-N","399787",NA,"PDBC07612","710882","Present"
-"1,3-Dibromo-5-butylthieno[3,4-c]pyrrole-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Dibromo-5-butylthieno[3,4-c]pyrrole-4,6-dione","","CCCCN1C(=O)C2=C(SC(=C2C1=O)Br)Br","QIEDHDBRHPTGIL-UHFFFAOYSA-N","396288",NA,"PDBC07613","701986","Present"
-"1,3-Dibromo-5-hydroxy-5-(2-oxopropyl)cyclopenta[c]thiophene-4,6-dione","","","","","","","","","","","","","","","","","","","","5-Acetonyl-1,3-dibromo-5-hydroxy-cyclopenta[c]thiophene-4,6-dione","","CC(=O)CC1(C(=O)C2=C(SC(=C2C1=O)Br)Br)O","ZWWROTGNUHHHHR-UHFFFAOYSA-N","399788",NA,"PDBC07614","710883","Present"
-"1,3-Dibromo-6-[3-[(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)amino]propylamino]-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","1,3-dibromo-6-[3-[(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)amino]propylamino]-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1C(C2=C(SC(=C2C1=O)Br)Br)NCCCNC3CC(=O)C4=C(SC(=C34)Br)Br","XJPIHZDMMXEDHA-UHFFFAOYSA-N","397156",NA,"PDBC07615","704557","Present"
-"1,3-Dibromo-6-ethoxy-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","1,3-Dibromo-6-ethoxy-5,6-dihydro-4h-cyclopenta[c]thiophen-4-one","","CCOC1CC(=O)C2=C(SC(=C12)Br)Br","IZFVJTVELYDAAU-UHFFFAOYSA-N","400220",NA,"PDBC07616","711738","Present"
-"1,3-Dibromo-6-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one","","","","","","","","","","","","","","","","","","","","1,3-Dibromo-6-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one","","C1C(C2=C(SC(=C2C1=O)Br)Br)O","LHDVRMUFRJUZPP-UHFFFAOYSA-N","400221",NA,"PDBC07617","711739","Present"
-"1,3-Dibromo-6-pyrrol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","1,3-Dibromo-6-pyrrol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1C(C2=C(SC(=C2C1=O)Br)Br)N3C=CC=C3","JGLVULMZOHSVQE-UHFFFAOYSA-N","398914",NA,"PDBC07618","709148","Present"
-"1,3-Dibromocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","1,3-Dibromo-4h-cyclopenta[c]thiophen-4-one","","C1=CC(=O)C2=C(SC(=C21)Br)Br","OQUIRJRSMXEUAH-UHFFFAOYSA-N","400222",NA,"PDBC07619","711740","Present"
-"1,3-Dibromocyclopenta[c]thiophene-4,5,6-trione","","","","","","","","","","","","","","","","","","","","1,3-Dibromocyclopenta[c]thiophene-4,5,6-trione","","C12=C(SC(=C1C(=O)C(=O)C2=O)Br)Br","LUVSHGACZRVPQQ-UHFFFAOYSA-N","399791",NA,"PDBC07620","710886","Present"
-"1,3-Dibutyl-2,4-dihydropyrimidine","","","","","","","","","","","","","","","","","","","","1,3-Dibutyl-1,2,3,4-tetrahydropyrimidine","","CCCCN1CC=CN(C1)CCCC","QVVFVOPHFQHDCU-UHFFFAOYSA-N","226446",NA,"PDBC07621","16857","Present"
-"1,3-Dichloro-1,1,3,3-tetrafluoro-2-(2-quinolinylmethyl)-2-propanol","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-1,1,3,3-tetrafluoro-2-(2-quinolinylmethyl)-2-propanol","","C1=CC=C2C(=C1)C=CC(=N2)CC(C(F)(F)Cl)(C(F)(F)Cl)O","OQFVYBMVGOSBNB-UHFFFAOYSA-N","377651",NA,"PDBC07622","659231","Present"
-"1,3-Dichloro-2-(3,4-dichlorophenyl)-5,6-dimethoxy-1H-indene","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-2-(3,4-dichlorophenyl)-5,6-dimethoxy-1H-indene","","COC1=C(C=C2C(=C1)C(C(=C2Cl)C3=CC(=C(C=C3)Cl)Cl)Cl)OC","RGNHAZPGYSYMHQ-UHFFFAOYSA-N","360783",NA,"PDBC07623","623164","Present"
-"1,3-Dichloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-indene","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-indene","","COC1=C(C=C(C=C1)C2=C(C3=CC(=C(C=C3C2Cl)OC)OC)Cl)OC","USJDNYYDOAJQEU-UHFFFAOYSA-N","358221",NA,"PDBC07624","618122","Present"
-"1,3-Dichloro-2-(4-chlorophenyl)-5,6-dimethoxy-1H-indene","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-2-(4-chlorophenyl)-5,6-dimethoxy-1H-indene","","COC1=C(C=C2C(=C1)C(C(=C2Cl)C3=CC=C(C=C3)Cl)Cl)OC","BURBDTYLYNEQGN-UHFFFAOYSA-N","360789",NA,"PDBC07625","623170","Present"
-"1,3-Dichloro-2-(4-ethoxyphenyl)-5,6-dimethoxy-1H-indene","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-2-(4-ethoxyphenyl)-5,6-dimethoxy-1H-indene","","CCOC1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3C2Cl)OC)OC)Cl","LUEUMZMLQMFQKP-UHFFFAOYSA-N","360788",NA,"PDBC07626","623169","Present"
-"1,3-Dichloro-2-(4-fluorophenyl)-5,6-dimethoxy-1H-indene","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-2-(4-fluorophenyl)-5,6-dimethoxy-1H-indene","","COC1=C(C=C2C(=C1)C(C(=C2Cl)C3=CC=C(C=C3)F)Cl)OC","YISDENDIROCIBC-UHFFFAOYSA-N","360786",NA,"PDBC07627","623167","Present"
-"1,3-Dichloro-2-[(E)-2-nitroethenyl]benzene","","","","","","","","","","","","","","","","","","","","Styrene, 2,6-dichloro-.beta.-nitro-","","C1=CC(=C(C(=C1)Cl)C=C[N+](=O)[O-])Cl","VXNHQIKJDIOBEC-SNAWJCMRSA-N","5369223",NA,"PDBC07628","122864","Present"
-"1,3-Dichloro-4,6-dinitrobenzene","","","","","","","","","","","","","","","","","","","","1,5-dichloro-2,4-dinitrobenzene","","C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]","ZPXDNSYFDIHPOJ-UHFFFAOYSA-N","77286",NA,"PDBC07629","28971","Present"
-"1,3-Dichloro-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diol","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diol","","C1C(C2=C(SC(=C2C1O)Cl)Cl)O","NLWVTMQFKGCHHN-UHFFFAOYSA-N","396946",NA,"PDBC07630","704127","Present"
-"1,3-Dichloro-5,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-1H-indene","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-5,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-1H-indene","","COC1=CC(=CC(=C1OC)OC)C2=C(C3=CC(=C(C=C3C2Cl)OC)OC)Cl","GHIQGZFHWQYERP-UHFFFAOYSA-N","360787",NA,"PDBC07631","623168","Present"
-"1,3-Dichloro-5,6-dimethoxy-2-(4-methoxyphenyl)-1H-indene","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-5,6-dimethoxy-2-(4-methoxyphenyl)-1H-indene","","COC1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3C2Cl)OC)OC)Cl","WKDRHEQPUCIDRZ-UHFFFAOYSA-N","360784",NA,"PDBC07632","623165","Present"
-"1,3-Dichloro-5-isopropylidene-cyclopenta[c]thiophene-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-5-isopropylidene-cyclopenta[c]thiophene-4,6-dione","","CC(=C1C(=O)C2=C(SC(=C2C1=O)Cl)Cl)C","AJWRJROHZJZLAY-UHFFFAOYSA-N","396945",NA,"PDBC07633","704126","Present"
-"1,3-Dichloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrocyclopenta[c]thiophen-4-one","","CN1CCN(CC1)C2CC(=O)C3=C(SC(=C23)Cl)Cl","SAMZNQQDWNOPLZ-UHFFFAOYSA-N","396938",NA,"PDBC07634","704120","Present"
-"1,3-Dichloro-6-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","4H-Cyclopenta[c]thiophen-4-one, 1,3-dichloro- 5,6-dihydr...","","C1C(C2=C(SC(=C2C1=O)Cl)Cl)O","IPLHVUWWQLHYTD-UHFFFAOYSA-N","395860",NA,"PDBC07635","700862","Present"
-"1,3-Dichloro-6-imidazol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","1,3-Dichloro-6-imidazol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1C(C2=C(SC(=C2C1=O)Cl)Cl)N3C=CN=C3","DIFJNXNEBVTNKA-UHFFFAOYSA-N","397151",NA,"PDBC07636","704552","Present"
-"1,3-Dichlorocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","4H-Cyclopenta[c]thiophen-4-one, 1,3-dichloro-","","C1=CC(=O)C2=C(SC(=C21)Cl)Cl","OYCVLEGAUGFXEI-UHFFFAOYSA-N","395859",NA,"PDBC07637","700861","Present"
-"1,3-Dichlorocyclopenta[c]thiophene-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Dichlorocyclopenta[c]thiophene-4,6-dione","","C1C(=O)C2=C(SC(=C2C1=O)Cl)Cl","OLVGTMSJUKGPQB-UHFFFAOYSA-N","396948",NA,"PDBC07638","704129","Present"
-"1,3-Dichloropyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1,3-Dichloropyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C2C(=C1)N=C3N2C(=CC(=C3C#N)Cl)Cl","CVTXAWOAZPMVBL-UHFFFAOYSA-N","390778",NA,"PDBC07639","688689","Present"
-"1,3-Dicyano-N~1~,N~3~-dimethyl-2,4-diphenyl-1,3-cyclobutanedicarboxamide","","","","","","","","","","","","","","","","","","","","1,3-Dicyano-N~1~,N~3~-dimethyl-2,4-diphenyl-1,3-cyclobutanedicarboxamide","","CNC(=O)C1(C(C(C1C2=CC=CC=C2)(C#N)C(=O)NC)C3=CC=CC=C3)C#N","VHPLSEZWTJYMFG-UHFFFAOYSA-N","392973",NA,"PDBC07640","694215","Present"
-"1,3-Dicyclohexyl-1,3-diazetidine-2,4-dione","","","","","","","","","","","","","","","","","","","","NCIChal_000037","","C1CCC(CC1)N2C(=O)N(C2=O)C3CCCCC3","NUQKAOMFMVTQIT-UHFFFAOYSA-N","391641",NA,"PDBC07641","691127","Present"
-"1,3-Dicyclohexyl-2-thioxoimidazolidine-4,5-dione","","","","","","","","","","","","","","","","","","","","AN-689/41741337","","C1CCC(CC1)N2C(=O)C(=O)N(C2=S)C3CCCCC3","RDIURNOQYBSTCN-UHFFFAOYSA-N","383270",NA,"PDBC07642","671384","Present"
-"1,3-Diethyl-1-[[ethyl(ethylcarbamoyl)amino]methyl]urea","","","","","","","","","","","","","","","","","","","","Urea, N,N''-methylenebis[N,N'-diethyl-","","CCNC(=O)N(CC)CN(CC)C(=O)NCC","WLQKEFJLAZHQDA-UHFFFAOYSA-N","370395",NA,"PDBC07643","643491","Present"
-"1,3-Diethyl-4-hydroxy-6-oxo-2-sulfanylidene-N-thiophen-2-ylpyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","1,3-Diethyl-4-hydroxy-6-oxo-2-sulfanylidene-N-thiophen-2-ylpyrimidine-5-carboxamide","","CCN1C(=C(C(=O)N(C1=S)CC)C(=O)NC2=CC=CS2)O","KCWUDFKRQJMBTI-UHFFFAOYSA-N","371522",NA,"PDBC07644","645844","Present"
-"1,3-Diethyl-4-hydroxy-N-[1-(4-nitrophenyl)ethyl]-6-oxo-2-sulfanylidenepyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","1,3-Diethyl-4-hydroxy-N-[1-(4-nitrophenyl)ethyl]-6-oxo-2-sulfanylidenepyrimidine-5-carboxamide","","CCN1C(=C(C(=O)N(C1=S)CC)C(=O)NC(C)C2=CC=C(C=C2)[N+](=O)[O-])O","IOYTVCIAQZCXIZ-UHFFFAOYSA-N","389029",NA,"PDBC07645","684575","Present"
-"1,3-Diethyl-5-[(4-phenylphenyl)methylene]-2-thioxo-1,3-dihydropyrimidine-4,6-d ione","","","","","","","","","","","","","","","","","","","","5-(Biphenyl-4-ylmethylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione","","CCN1C(=O)C(=CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N(C1=S)CC","PRXOVYKRYLYIFZ-UHFFFAOYSA-N","389026",NA,"PDBC07646","684572","Present"
-"1,3-Diethyl-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Diethyl-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione","","CCN1C(=O)C(=CC=CC2=CC=C(C=C2)OC)C(=O)N(C1=S)CC","PHGMWCUOGNZRHU-VOTSOKGWSA-N","5874668",NA,"PDBC07647","684570","Present"
-"1,3-Diethyl-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Diethyl-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione","","CCN1C(=O)C(=CC=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C1=S)CC","YWQBPDWOTWVTFO-AATRIKPKSA-N","5938459",NA,"PDBC07648","684566","Present"
-"1,3-Diethyl-6-hydroxy-5-methanimidoylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Diethyl-6-hydroxy-5-methanimidoylpyrimidine-2,4-dione","","CCN1C(=C(C(=O)N(C1=O)CC)C=N)O","WDOKELNVRSVECZ-UHFFFAOYSA-N","287321",NA,"PDBC07649","147097","Present"
-"1,3-Dihydro-6-fluoro-3-(2-oxocyclohexylidene)indole-2-one","","","","","","","","","","","","","","","","","","","","1,3-Dihydro-6-fluoro-3-(2-oxocyclohexylidene)indole-2-one","","C1CCC(=O)C(=C2C3=C(C=C(C=C3)F)NC2=O)C1","HYCBNNNUQTZJFY-JLHYYAGUSA-N","3004409",NA,"PDBC07650","650913","Present"
-"1,3-Dihydro-6-fluoro-3-hydroxy-3-(2-oxocyclohexyl)indol-2-one","","","","","","","","","","","","","","","","","","","","1,3-Dihydro-6-fluoro-3-hydroxy-3-(2-oxocyclohexyl)indol-...","","C1CCC(=O)C(C1)C2(C3=C(C=C(C=C3)F)NC2=O)O","WJXZIMWBGPSBFK-UHFFFAOYSA-N","373906",NA,"PDBC07651","650912","Present"
-"1,3-Dihydroanthra[2,3-c]thiophene-5,10-dione 2-oxide","","","","","","","","","","","","","","","","","","","","1,3-Dihydroanthra[2,3-c]thiophene-5,10-dione 2-oxide","","C1C2=CC3=C(C=C2CS1=O)C(=O)C4=CC=CC=C4C3=O","NHWRZAVVCMOKNF-UHFFFAOYSA-N","363003",NA,"PDBC07652","627542","Present"
-"1,3-Dihydroxy-10-methyl-7-nitro-acridin-9-one","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-10-methyl-7-nitro-acridin-9-one","","CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3O)O","CYBLUKVSMNILGW-UHFFFAOYSA-N","5386678",NA,"PDBC07653","615534","Present"
-"1,3-Dihydroxy-10-methyl-8-nitro-acridin-9-one","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-10-methyl-8-nitro-acridin-9-one","","CN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3O)O","WOPVVGDDIOXNGL-UHFFFAOYSA-N","5324539",NA,"PDBC07654","647749","Present"
-"1,3-Dihydroxy-10H-acridin-9-one","","","","","","","","","","","","","","","","","","","","7W-0843","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C=C(C=C3O)O","RWJOWUMRFOUHTR-UHFFFAOYSA-N","5467589",NA,"PDBC07655","656163","Present"
-"1,3-Dihydroxy-2,2,5,5-tetramethyl-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-2,2,5,5-tetramethyl-4-imidazolidinone","","CC1(C(=O)N(C(N1O)(C)C)O)C","BLSRZFIQIBNYMP-UHFFFAOYSA-N","378674",NA,"PDBC07656","661471","Present"
-"1,3-Dihydroxy-5,10-dimethyl-acridin-9-one","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-5,10-dimethyl-acridin-9-one","","CC1=C2C(=CC=C1)C(=O)C3=C(N2C)C=C(C=C3O)O","QHCAEKNKIQMCJQ-UHFFFAOYSA-N","5465761",NA,"PDBC07657","660811","Present"
-"1,3-Dihydroxy-5-methyl-10H-acridin-9-one","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-5-methyl-9(10)-acridinone","","CC1=C2C(=CC=C1)C(=O)C3=C(N2)C=C(C=C3O)O","NBPXZTCJIOEPOU-UHFFFAOYSA-N","5465791",NA,"PDBC07658","662137","Present"
-"1,3-Dihydroxy-6-(4-methylpiperazino)-7-aminoacridine-9(10H)-one","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-6-(4-methylpiperazino)-7-aminoacridine-9(10H)-one","","CN1CCN(CC1)C2=C(C=C3C(=C2)NC4=C(C3=O)C(=CC(=C4)O)O)N","BOACJVDNRDKLGU-UHFFFAOYSA-N","5472237",NA,"PDBC07659","717110","Present"
-"1,3-Dihydroxy-8,10-dimethyl-acridin-9-one","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-8,10-dimethyl-acridin-9-one","","CC1=C2C(=CC=C1)N(C3=C(C2=O)C(=CC(=C3)O)O)C","GGXKYBVJXLRZBH-UHFFFAOYSA-N","5465760",NA,"PDBC07660","660810","Present"
-"1,3-Dihydroxy-8-methyl-10H-acridin-9-one","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-8-methyl-9(10)-acridinone","","CC1=C2C(=CC=C1)NC3=C(C2=O)C(=CC(=C3)O)O","JCBDAFIHZKTUHH-UHFFFAOYSA-N","5465790",NA,"PDBC07661","662135","Present"
-"1,3-Diiodocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","1,3-Diiodocyclopenta[c]thiophen-6-one","","C1=CC(=O)C2=C(SC(=C21)I)I","QGAHUYYADXDHEL-UHFFFAOYSA-N","396934",NA,"PDBC07662","704117","Present"
-"1,3-Dimethoxy-10-methyl-8-nitroacridin-9(10H)-one","","","","","","","","","","","","","","","","","","","","1,3-Dimethoxy-10-methyl-8-nitroacridin-9(10H)-one","","CN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3OC)OC","XUXSDAIUHIWQAS-UHFFFAOYSA-N","372544",NA,"PDBC07663","647750","Present"
-"1,3-Dimethoxy-5,10-dimethyl-9(10H)-acridinone","","","","","","","","","","","","","","","","","","","","1,3-Dimethoxy-5,10-dimethyl-9(10H)-acridinone","","CC1=C2C(=CC=C1)C(=O)C3=C(N2C)C=C(C=C3OC)OC","MKURHQVLLURQMZ-UHFFFAOYSA-N","378391",NA,"PDBC07664","660809","Present"
-"1,3-Dimethoxy-5-(2-nitroprop-1-enyl)benzene","","","","","","","","","","","","","","","","","","","","3,5-Dimethoxy-beta-methyl-beta-nitrostyrene","","CC(=CC1=CC(=CC(=C1)OC)OC)[N+](=O)[O-]","COWWUDOIMZXGFM-XBXARRHUSA-N","5467733",NA,"PDBC07665","658453","Present"
-"1,3-Dimethoxy-5-(2-nitrovinyl)benzene","","","","","","","","","","","","","","","","","","","","1,3-dimethoxy-5-[(E)-2-nitrovinyl]benzene","","COC1=CC(=CC(=C1)C=C[N+](=O)[O-])OC","LIROLLNTVLAPGP-ONEGZZNKSA-N","5375913",NA,"PDBC07666","783918","Present"
-"1,3-Dimethoxy-5-nitro-10-methyl-9-acridone","","","","","","","","","","","","","","","","","","","","1,3-Dimethoxy-5-nitro-10-methyl-9-acridone","","CN1C2=C(C(=CC(=C2)OC)OC)C(=O)C3=C1C(=CC=C3)[N+](=O)[O-]","ZIOJEGSNDOJKBF-UHFFFAOYSA-N","360413",NA,"PDBC07667","622486","Present"
-"1,3-Dimethyl 2-(3-oxocyclohexyl)propanedioate","","","","","","","","","","","","","","","","","","","","CMLDBU00002581","","COC(=O)C(C1CCCC(=O)C1)C(=O)OC","XRRVFMYYAGGSJO-UHFFFAOYSA-N","358296",NA,"PDBC07668","618238","Present"
-"1,3-Dimethyl-1,2,3,4,8,9-hexahydro[1,4]dioxino[2,3-g]pyrimido[4,5-b]quinoline","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-13,16-dioxa-2,4,6-triazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3(8),9,11,17-pentaene","","CN1CC2=C(N=C3C=C4C(=CC3=C2)OCCO4)N(C1)C","FAAFQMAHYUCBMN-UHFFFAOYSA-N","391050",NA,"PDBC07669","689582","Present"
-"1,3-Dimethyl-1,3-bis[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]urea","","","","","","","","","","","","","","","","","","","","3,3'-carbonylbis[1-(6-benzyloxypurin-2-yl)]-3-methyltria...","","CN(C(=O)N(C)N=NC1=NC2=C(C(=N1)OCC3=CC=CC=C3)NC=N2)N=NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)NC=N5","FCOCPZFEBXTYFS-NFSGFYSESA-N","5472804",NA,"PDBC07670","721626","Present"
-"1,3-Dimethyl-1-(methyldiazenyl)urea","","","","","","","","","","","","","","","","","","","","2-Triazene-1-carboxamide, N,1-dimethyl-","","CNC(=O)N(C)N=NC","NEXBHNSUHRMPFL-UHFFFAOYSA-N","190594",NA,"PDBC07671","378853","Present"
-"1,3-Dimethyl-10-phenyl-5H-phenophosphazinine","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-10-phenyl-5,10-dihydrophenophosphazinine","","CC1=CC(=C2C(=C1)NC3=CC=CC=C3P2C4=CC=CC=C4)C","MJTPRORYSSCIPI-UHFFFAOYSA-N","360852",NA,"PDBC07672","623452","Present"
-"1,3-Dimethyl-2,4-dioxo-6-pyrrolidin-1-yl-pyrimidine-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-2,4-dioxo-6-pyrrolidin-1-yl-pyrimidine-5-carbaldehyde","","CN1C(=C(C(=O)N(C1=O)C)C=O)N2CCCC2","JNSIVVQGSXLVNF-UHFFFAOYSA-N","389800",NA,"PDBC07673","686404","Present"
-"1,3-Dimethyl-2-(3-nitrophenyl)benzimidazol-3-ium;iodide","","","","","","","","","","","","","","","","","","","","NSC692415","","CN1C2=CC=CC=C2[N+](=C1C3=CC(=CC=C3)[N+](=O)[O-])C.[I-]","JMPYIYQAIQGYCZ-UHFFFAOYSA-M","392277",NA,"PDBC07674","692415","Present"
-"1,3-Dimethyl-2-phenyl-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-4-one","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-2-phenyl-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-4-one","","CC1=C(N(C2=C1C(=O)NN=C2)C)C3=CC=CC=C3","CHFZSGDVVDWLMQ-UHFFFAOYSA-N","400457",NA,"PDBC07675","712189","Present"
-"1,3-Dimethyl-2-phenyl-4,5-dihydroimidazol-1-ium tetrafluoroborate","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-2-phenyl-4,5-dihydroimidazol-1-ium tetrafluoroborate","","","","",NA,"PDBC07676","664862","Present"
-"1,3-Dimethyl-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate","","","","",NA,"PDBC07677","664864","Present"
-"1,3-Dimethyl-2-phenyl-5-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-2-phenyl-5-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-4,6-dione","","CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(C2=O)CCCCN4CCN(CC4)C5=CC=CC=C5","ZIUHEKBIGWNVLN-UHFFFAOYSA-N","387906",NA,"PDBC07678","682138","Present"
-"1,3-Dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione","","CN1C(C2=C(N=C3C=CC=CN3C2=O)N(C1=O)C)N4CCCC4","SCYIJMFOQXBCKC-UHFFFAOYSA-N","375439",NA,"PDBC07679","655162","Present"
-"1,3-Dimethyl-4a,6,7,8,9,10a-hexahydrobenzo[g]quinazoline-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-2,4,4a,6,7,8,9,10a-octahydro-2,4-dioxo-benz...","","CN1C2C=C3CCCCC3=CC2C(=O)N(C1=O)C","ABSYMFITPFFORO-UHFFFAOYSA-N","383514",NA,"PDBC07680","671904","Present"
-"1,3-Dimethyl-5-[(2-nitroanilino)methylene]hexahydropyrimidine-2,4,6-trione","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-5-(2-nitro-phenylaminomethylene-barbituric ...","","CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2[N+](=O)[O-])O","XPLIELATGPKUEX-UHFFFAOYSA-N","387459",NA,"PDBC07681","681265","Present"
-"1,3-Dimethyl-5-[(N-methylanilino)methylidene]-1,3-diazinane-2,4,6-trione","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-5-[(N-methylanilino)methylidene]-1,3-diazinane-2,4,6-trione","","CN1C(=O)C(=CN(C)C2=CC=CC=C2)C(=O)N(C1=O)C","SGCLODKGJGRCJG-UHFFFAOYSA-N","319878",NA,"PDBC07682","265529","Present"
-"1,3-Dimethyl-5-[2-[(4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopentene-1-carbonyl]phenyl]-1,3,5-triazinan-2-one","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-5-[2-[(4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopentene-1-carbonyl]phenyl]-1,3,5-triazinan-2-one","","CC(C)[Si](C(C)C)(C(C)C)OCC(=CCOC(C)(C)C)C1CC=C(C1)C(=O)C2=CC=CC=C2N3CN(C(=O)N(C3)C)C","LXIJTOMKRJHRCM-QSRSGOJESA-N","5470160",NA,"PDBC07683","698206","Present"
-"1,3-Dimethyl-5-nitro-4-phosphoranylideneamino-uracil","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-5-nitro-4-phosphoranylideneamino-uracil","","CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","QZTWDTFGMRTQIV-UHFFFAOYSA-N","387480",NA,"PDBC07684","681282","Present"
-"1,3-Dimethyl-5-oxido-7-phenyl-2,4-dihydropteridin-5-ium","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-5-oxido-7-phenyl-2,4-dihydropteridin-5-ium","","CN1CC2=[N+](C=C(N=C2N(C1)C)C3=CC=CC=C3)[O-]","VRWKRWIPZGMOJQ-UHFFFAOYSA-N","3787596",NA,"PDBC07685","621723","Present"
-"1,3-Dimethyl-6-(1-piperidinyl)-2,4(1H,3H)-pteridinedione","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-6-(1-piperidinyl)-2,4(1H,3H)-pteridinedione","","CN1C2=NC=C(N=C2C(=O)N(C1=O)C)N3CCCCC3","ZEWWMKSKZVDOBR-UHFFFAOYSA-N","375732",NA,"PDBC07686","655741","Present"
-"1,3-Dimethyl-6-(4-morpholinyl)-2,4(1H,3H)-pteridinedione","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-6-(4-morpholinyl)-2,4(1H,3H)-pteridinedione","","CN1C2=NC=C(N=C2C(=O)N(C1=O)C)N3CCOCC3","QEYMZRBNZLEBPJ-UHFFFAOYSA-N","375733",NA,"PDBC07687","655742","Present"
-"1,3-Dimethyl-7,10-dihydro-6H-purino[7,8-a]pyrimidine-2,4,8-trione","","","","","","","","","","","","","","","","","","","","Pyrimido[2,1-f]purine-2,4,8-trione,  1,2,3,4,6,7,8,9-oct...","","CN1C2=C(C(=O)N(C1=O)C)N3CCC(=O)NC3=N2","SDPVZTYKQKYYQX-UHFFFAOYSA-N","365163",NA,"PDBC07688","632302","Present"
-"1,3-Dimethyl-8-((2-(4-morpholinyl)ethyl)thio)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-8-((2-(4-morpholinyl)ethyl)thio)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","","CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCCN3CCOCC3","OVDZYZANTZBNCJ-UHFFFAOYSA-N","264524",NA,"PDBC07689","99667","Present"
-"1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one","","CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCC3=CC=CC=C3","KGKBAVZYEBZEGC-UHFFFAOYSA-N","3246363",NA,"PDBC07690","99676","Present"
-"1,3-Dimethyl-8-[(E)-(1,3,4-thiadiazol-2-ylamino)azo]-9H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-8-[(E)-(1,3,4-thiadiazol-2-ylamino)azo]-9H-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NN=NC3=NN=CS3","RLEDPDGHGINYPS-UHFFFAOYSA-N","135489875",NA,"PDBC07691","686672","Present"
-"1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione","","","","","","","","","","","","","","","","","","","","1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione","","CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C4=CC=CC=C4SC3=N2","SVOPXNRQKZTEJF-UHFFFAOYSA-N","391071",NA,"PDBC07692","689605","Present"
-"1,3-Dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","STK050778","","CC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C","VEEHUUCFPCGPKD-UHFFFAOYSA-N","387843",NA,"PDBC07693","682003","Present"
-"1,3-Dinitro-10H-phenoxazine","","","","","","","","","","","","","","","","","","","","1,3-Dinitro-10H-phenoxazine","","C1=CC=C2C(=C1)NC3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-]","BNCNPPGADFFASS-UHFFFAOYSA-N","3824594",NA,"PDBC07694","139948","Present"
-"1,3-Dioxo-alpha-(4-hydroxy-3-nitrobenzyl)-2-isoindolineacetic acid","","","","","","","","","","","","","","","","","","","","1,3-Dioxo-.alpha.-(4-hydroxy-3-nitrobenzyl)-2-isoindolin...","","C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)O","DPWOSPPSFSUKHY-UHFFFAOYSA-N","52641",NA,"PDBC07695","106920","Present"
-"1,3-Dioxolane, 2-methyl-2-[6-methyl-7-(phenylthio)bicyclo[4.1.0]hept-3-yl]-","","","","","","","","","","","","","","","","","","","","1,3-Dioxolane, 2-methyl-2-[6-methyl-7-(phenylthio)bicyclo[4.1.0]hept-3-yl]-","","CC12CCC(CC1C2SC3=CC=CC=C3)C4(OCCO4)C","KVUMDGYEVJFGAW-UHFFFAOYSA-N","361934",NA,"PDBC07696","625415","Present"
-"1,3-Diphenyl-1,2,4-benzotriazine-7(1H)-one","","","","","","","","","","","","","","","","","","","","1,3-diphenylbenzo[e]-[1,2,4]triazin-7(1H)-one","","C1=CC=C(C=C1)C2=NN(C3=CC(=O)C=CC3=N2)C4=CC=CC=C4","BOXCNPJCYWRSEV-UHFFFAOYSA-N","71458464",NA,"PDBC07697","768093","Present"
-"1,3-Diphenyl-3-(phenylethynyl)-1,3-dihydro-2-benzofuran-1-ol","","","","","","","","","","","","","","","","","","","","1,3-Diphenyl-3-(phenylethynyl)-1,3-dihydro-2-benzofuran-1-ol","","C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(O2)(C4=CC=CC=C4)O)C5=CC=CC=C5","CQTISHGZIRFFLN-UHFFFAOYSA-N","363124",NA,"PDBC07698","627693","Present"
-"1,3-Diphenyl-4-[(5S)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl]pyrazole","","","","","","","","","","","","","","","","","","","","1,3-diphenyl-4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-1H...","","C1C(NN=C1C2=CC=CC=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5","IKWHDGOMAWOCTE-QHCPKHFHSA-N","155809903",NA,"PDBC07699","757933","Present"
-"1,3-Diphenyl-4-phosphoranylideneamino-uracil","","","","","","","","","","","","","","","","","","","","1,3-Diphenyl-4-phosphoranylideneamino-uracil","","C1=CC=C(C=C1)N2C(=CC(=O)N(C2=O)C3=CC=CC=C3)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","UTVWJMQGBQSTBA-UHFFFAOYSA-N","387460",NA,"PDBC07700","681266","Present"
-"1,3-Diphenyl-6-methyl-5,8-dihydropyrazolo[3,4-e][1,4]diazepine-4,7(1H,6H)-dione","","","","","","","","","","","","","","","","","","","","6-Methyl-1,3-diphenyl-6,8-dihydro-5H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione","","CC1C(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N1","XASVGYWGZSTBFX-UHFFFAOYSA-N","390765",NA,"PDBC07701","688528","Present"
-"1,3-Diphenyl-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one","","","","","","","","","","","","","","","","","","","","1,3-Diphenyl-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one","","C1CC(OC1)N2C=NC3=C2N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","BLVKPSJSHOROAD-UHFFFAOYSA-N","390380",NA,"PDBC07702","687722","Present"
-"1,3-Diphenyl-9-tetrahydropyran-2-yl-2-thioxo-purin-6-one","","","","","","","","","","","","","","","","","","","","6H-Purin-6-one, 1,2,3,9-tetrahydro- 9-(tetrahydro-2-pyra...","","C1CCOC(C1)N2C=NC3=C2N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","MKWJBHBVTAYNSD-UHFFFAOYSA-N","387937",NA,"PDBC07703","682242","Present"
-"1,3-Diphenyldiazirine;perchloric acid","","","","","","","","","","","","","","","","","","","","NSC680219","","C1=CC=C(C=C1)C2=NN2C3=CC=CC=C3.OCl(=O)(=O)=O","LGJKXUITZDRHFW-UHFFFAOYSA-N","21144981",NA,"PDBC07704","680219","Present"
-"1,3-Diphenylpropane-1,3-dione;ethane;thallium(3+)","","","","","","","","","","","","","","","","","","","","NSC644921","","C[CH2-].C[CH2-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Tl+3]","UVASPQQJSJXRPP-UHFFFAOYSA-N","371034",NA,"PDBC07705","644921","Present"
-"1,3-Diphenylpropane-1,3-dione;titanium(4+);dihydroxide","","","","","","","","","","","","","","","","","","","","NSC644912","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH-].[OH-].[Ti+4]","JNUSPADFMGHDHR-UHFFFAOYSA-L","371030",NA,"PDBC07706","644912","Present"
-"1,3-Diphenylpyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","Pyrazino[1,2-a]benzimidazole, 1,3-diphenyl-","","C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C5=CC=CC=C5","PIOPJJVCIAANDM-UHFFFAOYSA-N","384474",NA,"PDBC07707","674276","Present"
-"1,3-Dipyrrolidin-1-ylcyclopenta[c]thiophene-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Dipyrrolidin-1-ylcyclopenta[c]thiophene-4,6-dione","","C1CCN(C1)C2=C3C(=O)CC(=O)C3=C(S2)N4CCCC4","WAUMTRCECOVSFY-UHFFFAOYSA-N","399790",NA,"PDBC07708","710885","Present"
-"1,3-Dithian-2-ylmethyl 2-diazoacetate","","","","","","","","","","","","","","","","","","","","2-Diazonio-1-(1,3-dithian-2-ylmethoxy)ethenolate","","C1CSC(SC1)COC(=O)C=[N+]=[N-]","SGXRLDWHYVZMPR-UHFFFAOYSA-N","386732",NA,"PDBC07709","679278","Present"
-"1,3-Dithiolan-2-imine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC202537","","C1CSC(=N)S1.Cl","YTWKDMBDSDTCBQ-UHFFFAOYSA-N","13135073",NA,"PDBC07710","202537","Present"
-"1,3-Dithiolan-2-ylidene(didodecyl)azanium;bromide","","","","","","","","","","","","","","","","","","","","NSC191924","","CCCCCCCCCCCC[N+](=C1SCCS1)CCCCCCCCCCCC.[Br-]","SWGNQVBSAAGEJG-UHFFFAOYSA-M","24195609",NA,"PDBC07711","191924","Present"
-"1,3-Dithiolane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC656986","","C1CSC(S1)C(=O)O","DSOVOUOPKYLGID-UHFFFAOYSA-N","243349",NA,"PDBC07712","656986","Present"
-"1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-","","","","","","","","","","","","","","","","","","","","1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-","","C1C(SC2=C(S1)SC(=S)S2)C3=CC=CC=C3","KAZNFIJVLOEIFR-UHFFFAOYSA-N","362958",NA,"PDBC07713","627449","Present"
-"1,3-Diyl)dioxy]bis[(11as)-2-Fluoro-7-methoxyo 1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-o ne","","","","","","","","","","","","","","","","","","","","1,1'-[(propane-1,3-diyl)dioxy]bis[(11as)-2-Fluoro-7-meth...","","COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)F)OCCCOC4=C(C=C5C(=C4)N=CC6CC(CN6C5=O)F)OC","PYZBEYIGCKIJOD-YRXWBPOGSA-N","24203386",NA,"PDBC07714","727727","Present"
-"1,3-Isobenzofurandione, 5,5'-sulfonylbis-","","","","","","","","","","","","","","","","","","","","DSDA","","C1=CC2=C(C=C1S(=O)(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O","ZHBXLZQQVCDGPA-UHFFFAOYSA-N","75682",NA,"PDBC07715","689416","Present"
-"1,3-Propanediamine, N-(6-chloro-2-methoxy-9-acridinyl)-N'-(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)-","","","","","","","","","","","","","","","","","","","","N'-(6-Chloro-2-methoxyacridin-9-yl)-N-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]propane-1,3-diamine","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC","JXKNOHCXCIJXLN-UHFFFAOYSA-N","151379",NA,"PDBC07716","671553","Present"
-"1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-","","","","","","","","","","","","","","","","","","","","1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-","","CCCCCCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]","NSZWREFZGBFSJX-UHFFFAOYSA-N","149592",NA,"PDBC07717","673791","Present"
-"1,3-Propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl-phenyl)-","","","","","","","","","","","","","","","","","","","","1,3-Propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl- ph...","","CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C2=CN=CC=C2)C","LVGCWHFIWIHBKH-UHFFFAOYSA-N","226783",NA,"PDBC07718","17551","Present"
-"1,3-Tribromo-3-dodecen-2-ol","","","","","","","","","","","","","","","","","","","","1,1,3-tribromo-3-dodecen-2-ol","","CCCCCCCCC=C(C(C(Br)Br)O)Br","OXAKHAUHUJIBEU-KTKRTIGZSA-N","5470528",NA,"PDBC07719","702653","Present"
-"1,3-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoquin oline Hydrychloride","","","","","","","","","","","","","","","","","","","","1,2,3-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]iso...","","COC1=C(C(=C2C=NC3=C(C2=C1)CC4=CC5=C(C=C43)OCO5)OC)OC.Cl","BSHLVRXBSUNJCD-UHFFFAOYSA-N","11188373",NA,"PDBC07720","730921","Present"
-"1,3-bis(quinolin-2-ylmethyl)benzimidazolium chloride","","","","","","","","","","","","","","","","","","","","1,3-bis(quinolin-2-ylmethyl)benzimidazolium chloride","","C1=CC=C2C(=C1)C=CC(=N2)CN3C=[N+](C4=CC=CC=C43)CC5=NC6=CC=CC=C6C=C5","KKXUBTVCAAWSFC-UHFFFAOYSA-N","134150622",NA,"PDBC07721","790465","Present"
-"1,3-bis(trifluoromethyl)-2,4-diaza-butadientylamido,n,n<U+00F8>...","","","","","","","","","","","","","","","","","","","","1,3-bis(trifluoromethyl)-2,4-diaza-butadientylamido,n,n<U+00F8>...","","","","",NA,"PDBC07722","758519","Present"
-"1,3-di([?]yl)urea","","","","","","","","","","","","","","","","","","","","1,3-di([?]yl)urea","","","","",NA,"PDBC07723","696102","Present"
-"1,3-di(p-methoxybenzyl)-4,5-(p-isopropylphenyl)imidazol-...","","","","","","","","","","","","","","","","","","","","1,3-di(p-methoxybenzyl)-4,5-(p-isopropylphenyl)imidazol-...","","","","",NA,"PDBC07724","775821","Present"
-"1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene gold(I) hept...","","","","","","","","","","","","","","","","","","","","1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene gold(I) hept...","","","","",NA,"PDBC07725","787080","Present"
-"1,3-dioxa-6-aza-6-methyl-2,2-dihydroxo-2-Germacyclooctane","","","","","","","","","","","","","","","","","","","","1,3-dioxa-6-aza-6-methyl-2,2-dihydroxo-2-Germacyclooctane","","","","",NA,"PDBC07726","648327","Present"
-"1,3-diphenyl-2-thioxo-7H-purin-6-one","","","","","","","","","","","","","","","","","","","","1,3-diphenyl-2-thioxo-7H-purin-6-one","","C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4)NC=N3","OUGRPLAQITWHLG-UHFFFAOYSA-N","390382",NA,"PDBC07727","687724","Present"
-"1,3S)-3,4-Epoxy-2-(3-methoxy-5-methyl-1-naphthoyloxy)-3-methylbutanoyl]-4-methyl-1,4,7-triazaheptane","","","","","","","","","","","","","","","","","","","","1,7-Bis[(2S,3S)-3,4-epoxy-2-(3-methoxy-5-methyl-1-naphth...","","CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)NCCN(C)CCNC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC)C6(CO6)C)OC","MAWJQXMFXDFEHM-HLMMNVQFSA-N","11399964",NA,"PDBC07728","732222","Present"
-"1,3a,8-Trimethyl-2-oxo-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","3,4,8b-Trimethyl-2-oxo-1,3a-dihydropyrrolo[2,3-b]indole-7-carbaldehyde","","CC12CC(=O)N(C1N(C3=C2C=C(C=C3)C=O)C)C","UMKOCSMVWWOGSB-UHFFFAOYSA-N","368805",NA,"PDBC07729","640070","Present"
-"1,3a-Diphenyl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepin-5(6H)-one","","","","","","","","","","","","","","","","","","","","1,3a-Diphenyl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepin-5(6H)-one","","C1C(=O)NC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5","FRNHVBUPYHIMAM-UHFFFAOYSA-N","377492",NA,"PDBC07730","658960","Present"
-"1,3a-Diphenyl-5-(2-thienyl)-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","","","","","","","","","","","","","","","","","","","1,3a-Diphenyl-5-(2-thienyl)-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CS6","UVOBJYDPOKBWGL-UHFFFAOYSA-N","384267",NA,"PDBC07731","673815","Present"
-"1,3beta,5alpha-Trimethyl-N-phenyl-4,5-dihydro-1H-1-benzazepin-2(3H)-imine","","","","","","","","","","","","","","","","","","","","(3S,5S)-1,3,5-Trimethyl-N-phenyl-4,5-dihydro-3H-1-benzazepin-2-imine","","CC1CC(C(=NC2=CC=CC=C2)N(C3=CC=CC=C13)C)C","BTJGSULXBGFQCA-GJZGRUSLSA-N","379699",NA,"PDBC07732","664572","Present"
-"1,4,10-Trihydroxy-10-allylanthracene-9(10H)-one","","","","","","","","","","","","","","","","","","","","1,4,10-Trihydroxy-10-allylanthracene-9(10H)-one","","C=CCC1(C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)O)O)O","CGQAAGZHVCHYBN-UHFFFAOYSA-N","400653",NA,"PDBC07733","712914","Present"
-"1,4,10-Trimethoxy-6-methyl[1]benzofuro[3,2-f]phthalazine","","","","","","","","","","","","","","","","","","","","1,4,10-Trimethoxy-6-methyl[1]benzofuro[3,2-f]phthalazine","","CC1=CC2=C(C3=C1OC4=C3C=C(C=C4)OC)C(=NN=C2OC)OC","BIEPOJPCAWLHPE-UHFFFAOYSA-N","377198",NA,"PDBC07734","658425","Present"
-"1,4,15,18-Tetraoxadispiro[4.8.4^{14}.8^{5}]hexacosane","","","","","","","","","","","","","","","","","","","","1,4,15,18-Tetraoxadispiro[4.8.4^{14}.8^{5}]hexacosane","","C1CCCCC2(CCCCCCCCC3(CCC1)OCCO3)OCCO2","KIWQXBZEHMEJLC-UHFFFAOYSA-N","380902",NA,"PDBC07735","666684","Present"
-"1,4,15,18-Tetrathiadispiro[4.8.4^{14}.8^{5}]hexacosane","","","","","","","","","","","","","","","","","","","","1,4,15,18-Tetrathiadispiro[4.8.4^{14}.8^{5}]hexacosane","","C1CCCCC2(CCCCCCCCC3(CCC1)SCCS3)SCCS2","UYTONAUUHUMPKA-UHFFFAOYSA-N","380903",NA,"PDBC07736","666685","Present"
-"1,4,5,6,7,7-Hexachloro-3-((9H-fluoren-2-ylamino)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1,4,5,6,7,7-Hexachloro-3-((9H-fluoren-2-ylamino)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid","","C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4C(C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O","ACQIOJGCZAKEOE-UHFFFAOYSA-N","252008",NA,"PDBC07737","73101","Present"
-"1,4,5,6,8-Pentaazaacenaphthylen-3-amine","","","","","","","","","","","","","","","","","","","","TRICIRIBINE PHOSPHATE","","CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)COP(=O)(O)O)O)O)C(=N1)N","URLYINUFLXOMHP-UHFFFAOYSA-N","322539",NA,"PDBC07738","280594","Present"
-"1,4,5,6,9,10-Hexatert-butyl-2,7-dimethyl-2,5,7,10-tetrazonia-1,4,6,9-tetraboranuidatricyclo[6.2.0.03,6]deca-2,4,7,9-tetraene","","","","","","","","","","","","","","","","","","","","1,4,5,6,9,10-Hexatert-butyl-2,7-dimethyl-2,5,7,10-tetrazonia-1,4,6,9-tetraboranuidatricyclo[6.2.0.03,6]deca-2,4,7,9-tetraene","","[B-]1(=[N+]([B-]2(C1=[N+]([B-]3(C(=[N+]2C)[B-](=[N+]3C(C)(C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C","ZABLYWUKNDGFKK-UHFFFAOYSA-N","390764",NA,"PDBC07739","688527","Present"
-"1,4,5,6-Tetrachloro-3-(2-cyanoethyl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile","","","","","","","","","","","","","","","","","","","","1,4,5,6-Tetrachloro-3-(2-cyanoethyl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile","","C1C2(C(C(C1(C(=C2Cl)Cl)Cl)C#N)CCC#N)Cl","OLOUVKVPMPHARG-UHFFFAOYSA-N","379236",NA,"PDBC07740","663650","Present"
-"1,4,5,6-Tetrahydropyrimidine-2-yl)phenyl]piperazi ne","","","","","","","","","","","","","","","","","","","","1,4-bis[4-(3,4,5,6-tetrahydropyrimidine-2-yl)phenyl]pipe...","","C1CNC(=NC1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C5=NCCCN5.Cl","VRNJJNCUBKYMTE-UHFFFAOYSA-N","24202883",NA,"PDBC07741","726152","Present"
-"1,4,5,8-Naphthalenetetracarboxylic acid","","","","","","","","","","","","","","","","","","","","Tetra acid","","C1=CC(=C2C(=CC=C(C2=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O","OLAPPGSPBNVTRF-UHFFFAOYSA-N","31422",NA,"PDBC07742","66207","Present"
-"1,4,5-Trimethoxybenzylidenylcarbonyl)cyclohexane","","","","","","","","","","","","","","","","","","","","1,1-Di(3,4,5-trimethoxybenzylidenylcarbonyl)cyclohexane","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2(CCCCC2)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","LLMIEDSUDXESTN-DCIPZJNNSA-N","5473013",NA,"PDBC07743","723434","Present"
-"1,4,5-Trimethoxyphenyl)amino]quin oxaline","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-cyano-3-[(3,4,5-trimethoxyphenyl)amino]...","","COC1=CC(=CC(=C1OC)OC)NC2=[N+](C3=CC=CC=C3[N+](=C2C#N)[O-])[O-]","CINIAHWRAYVORB-UHFFFAOYSA-N","135436453",NA,"PDBC07744","724565","Present"
-"1,4,5-Triphenyl-2-(4-nitrophenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(4-Nitrophenyl)-1,4,5-triphenyl imidazole","","C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5","FCODAFMZJODMPG-UHFFFAOYSA-N","45029260",NA,"PDBC07745","745924","Present"
-"1,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","1,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde","","C1CN2CC(=CCC2C3=C1C4=CC=CC=C4N3)C=O","WTPHUAMSGFPUII-UHFFFAOYSA-N","372784",NA,"PDBC07746","648408","Present"
-"1,4,7,10,13-Pentathiacyclopentadecane","","","","","","","","","","","","","","","","","","","","1,4,7,10,13-Pentathiacyclopentadecane","","C1CSCCSCCSCCSCCS1","JZVKYARMSUTTSV-UHFFFAOYSA-N","373838",NA,"PDBC07747","650801","Present"
-"1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane, 4,10-bis(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane, 4,10-bis(phenylmethyl)-","","C1CN2CCN(CCN1CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4","UCEDWWORPBBYIP-UHFFFAOYSA-N","398647",NA,"PDBC07748","708806","Present"
-"1,4,7,10-Tetraazacyclododecane","","","","","","","","","","","","","","","","","","","","Cyclen","","C1CNCCNCCNCCN1","QBPPRVHXOZRESW-UHFFFAOYSA-N","64963",NA,"PDBC07749","629374","Present"
-"1,4,7,10-Tetraazacyclododecane-1,7-diethanol, 4,10-bis[(4-methylphenyl)sulfonyl]-","","","","","","","","","","","","","","","","","","","","2-[7-(2-Hydroxyethyl)-4,10-bis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CCN(CC2)CCO)S(=O)(=O)C3=CC=C(C=C3)C)CCO","LSUNYLPUFMGRRD-UHFFFAOYSA-N","387340",NA,"PDBC07750","681084","Present"
-"1,4,7,10-Tetrathiacyclotridecane","","","","","","","","","","","","","","","","","","","","1,4,7,10-Tetrathiacyclotridecane","","C1CSCCSCCSCCSC1","FFRMQLCUFQSYIA-UHFFFAOYSA-N","373836",NA,"PDBC07751","650799","Present"
-"1,4,7,10-Tetrazabicyclo[5.5.2]tetradecane","","","","","","","","","","","","","","","","","","","","1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane","","C1CN2CCNCCN(CCN1)CC2","SXVIKQINVVZUBE-UHFFFAOYSA-N","398645",NA,"PDBC07752","708804","Present"
-"1,4,7-Triazacyclononane","","","","","","","","","","","","","","","","","","","","1,4,7-Triazonane","","C1CNCCNCCN1","ITWBWJFEJCHKSN-UHFFFAOYSA-N","188318",NA,"PDBC07753","681101","Present"
-"1,4,7-Tris[(2-benzylsulfanylphenyl)methyl]-1,4,7-triazonane","","","","","","","","","","","","","","","","","","","","1,4,7-Tris[2-(benzylsulfanyl)benzyl]-1,4,7-triazonane","","C1CN(CCN(CCN1CC2=CC=CC=C2SCC3=CC=CC=C3)CC4=CC=CC=C4SCC5=CC=CC=C5)CC6=CC=CC=C6SCC7=CC=CC=C7","LXONLVWXARGQIB-UHFFFAOYSA-N","401159",NA,"PDBC07754","714198","Present"
-"1,4,7-Trithionane","","","","","","","","","","","","","","","","","","","","1,4,7-Trithionane","","C1CSCCSCCS1","PQNPKQVPJAHPSB-UHFFFAOYSA-N","373835",NA,"PDBC07755","650798","Present"
-"1,4,7-Trithionane 1,4,7-trioxide","","","","","","","","","","","","","","","","","","","","1,4,7-Trithionane 1,4,7-trioxide","","C1CS(=O)CCS(=O)CCS1=O","YRHVZGNGLNMHOJ-UHFFFAOYSA-N","373823",NA,"PDBC07756","650786","Present"
-"1,4,7-Tritosyl-1,4,7,10-tetraazacyclododecane","","","","","","","","","","","","","","","","","","","","AK161585","","CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C","DSXJEODHPCMQEG-UHFFFAOYSA-N","386072",NA,"PDBC07757","677645","Present"
-"1,4,8,11,15,18,22,25-Octathiacyclooctacosane","","","","","","","","","","","","","","","","","","","","1,4,8,11,15,18,22,25-Octathiacyclooctacosane","","C1CSCCSCCCSCCSCCCSCCSCCCSCCSC1","HSGWKRSFKMUJQH-UHFFFAOYSA-N","373842",NA,"PDBC07758","650805","Present"
-"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane","","","","","","","","","","","","","","","","","","","","1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane","","C1CNCCN2CCCNCCN(C1)CC2","OBBKVQRWBGOVCF-UHFFFAOYSA-N","398648",NA,"PDBC07759","708807","Present"
-"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, 4,11-bis(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, 4,11-bis(phenylmethyl)-","","C1CN2CCN(CCCN(CC2)CC3=CC=CC=C3)CCN(C1)CC4=CC=CC=C4","FGVBSRHTSFUPNH-UHFFFAOYSA-N","398649",NA,"PDBC07760","708808","Present"
-"1,4,8,11-Tetraazacyclotetradecane-5,12-dione, 3,3,6,10,10,13-hexamethyl-6,13-bis(phenylmethoxy)-","","","","","","","","","","","","","","","","","","","","1,4,8,11-Tetraazacyclotetradecane-5,12-dione, 3,3,6,10,10,13-hexamethyl-6,13-bis(phenylmethoxy)-","","CC1(CNCC(C(=O)NC(CNCC(C(=O)N1)(C)OCC2=CC=CC=C2)(C)C)(C)OCC3=CC=CC=C3)C","JSBUWPSHJRQPDC-UHFFFAOYSA-N","373031",NA,"PDBC07761","648864","Present"
-"1,4,8,11-Tetrathiacyclotetradecan-6-ol","","","","","","","","","","","","","","","","","","","","TTCTOH","","C1CSCCSCC(CSCCSC1)O","FQPIEYPGRXQIOL-UHFFFAOYSA-N","373840",NA,"PDBC07762","650803","Present"
-"1,4,8,12-Tetrathiacyclopentadecan-10-ol","","","","","","","","","","","","","","","","","","","","1,4,8,12-Tetrathiacyclopentadecan-10-ol","","C1CSCCSCCCSCC(CSC1)O","SYNMNJZCAZVNMH-UHFFFAOYSA-N","373841",NA,"PDBC07763","650804","Present"
-"1,4,8,12-Tetrathiacyclopentadecane","","","","","","","","","","","","","","","","","","","","1,4,8,12-Tetrathiacyclopentadecane","","C1CSCCCSCCSCCCSC1","MKHVDPYGWBRAKU-UHFFFAOYSA-N","373843",NA,"PDBC07764","650806","Present"
-"1,4,8,9-Tetrakis(methoxycarbonyl)-7-[4-(3-(2-f uranyl)propenoyloxy)phenyl]bicyclo[3.3.1]non-3-ene","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(3-...","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)C=CC4=CC=CO4","ZULQUGRZOVZALE-GSUJCXRSSA-N","54717815",NA,"PDBC07765","731862","Present"
-"1,4,8,9-Tetrakis(methoxycarbonyl)-7-[4-(imidaz ole-1-carboxoyloxy)phenyl]bicyclo[3.3.1]non-3-ene","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(im...","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)N4C=CN=C4","ICCPNWGBGWFIBU-PPECVAEOSA-N","54717814",NA,"PDBC07766","730185","Present"
-"1,4,8,9-Tetrakis(methoxycarbonyl)-7-{4-[2(4-is obutylphenyl)propanoyloxy]phenyl}bicyclo[3.3.1]non-3-ene","","","","","","","","","","","","","","","","","","","","1,3-Dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-{4-[2(...","","CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC=C(C=C2)C3CC4C(C(C3C(=O)OC)(C(C(=C4C(=O)OC)O)C(=O)OC)O)C(=O)OC","VFMMBXICEGCFOF-FOEDEYGYSA-N","54717813",NA,"PDBC07767","730184","Present"
-"1,4,8-Triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-16-one","","","","","","","","","","","","","","","","","","","","10H-Pyrido[4',3':4,5]imidazo[2,1-a]isoindol-10-one","","C1=CC=C2C(=C1)C3=NC4=C(N3C2=O)C=NC=C4","HJKJCXCLGQRUCC-UHFFFAOYSA-N","377705",NA,"PDBC07768","659296","Present"
-"1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine","","","","","","","","","","","","","","","","","","","","NSC766691","","CC1=CC2=NC3=NC4=C(C=CC(=C4C(=C3C=C2C=C1)N)C)C","MLCOGORERKDZTI-UHFFFAOYSA-N","865238",NA,"PDBC07769","766691","Present"
-"1,4,8-Trioxaspiro[4.6]undecan-9-one","","","","","","","","","","","","","","","","","","","","1,4,8-Trioxaspiro[4.6]undecan-9-one","","C1CC2(CCOC1=O)OCCO2","JTSACWLMMPZTEH-UHFFFAOYSA-N","397423",NA,"PDBC07770","705169","Present"
-"1,4,9,10-Anthracenetetrone","","","","","","","","","","","","","","","","","","","","1,4,9,10-Anthracenetetrone","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=O)C=CC3=O","KNCZUXHSQJQWIB-UHFFFAOYSA-N","137169",NA,"PDBC07771","174128","Present"
-"1,4,9-Trithia-trindene","","","","","","","","","","","","","","","","","","","","3,8,15-Trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene","","C1=CSC2=C3C=CSC3=C4C(=C21)C=CS4","RBFKZOKVFNBXTJ-UHFFFAOYSA-N","395542",NA,"PDBC07772","700234","Present"
-"1,4-Anhydro-2-deoxy-1-(2,4,5-trimethylphenyl)pentitol","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-5-(2,4,5-trimethylphenyl)tetrahydrofuran-3-ol","","CC1=CC(=C(C=C1C)C2CC(C(O2)CO)O)C","CXXDMKLMHJBPBQ-UHFFFAOYSA-N","382446",NA,"PDBC07773","670012","Present"
-"1,4-Anhydro-2-deoxy-1-(2,4-difluoro-5-methylphenyl)pentitol","","","","","","","","","","","","","","","","","","","","5-(2,4-Difluoro-5-methyl-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol","","CC1=CC(=C(C=C1F)F)C2CC(C(O2)CO)O","VZSIWTWOIQVYAZ-UHFFFAOYSA-N","382445",NA,"PDBC07774","670011","Present"
-"1,4-Anhydro-3,5-bis-O-(4-chlorobenzyl)-1-(4-methylphenyl)pentitol","","","","","","","","","","","","","","","","","","","","4-[(4-Chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-(p-tolyl)tetrahydrofuran-3-ol","","CC1=CC=C(C=C1)C2C(C(C(O2)COCC3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)Cl)O","JCRFRNVHMVKZKM-UHFFFAOYSA-N","362352",NA,"PDBC07775","626097","Present"
-"1,4-Benzenediamine, N,N-dimethyl-N'-(1-phenylethylidene)-","","","","","","","","","","","","","","","","","","","","1,4-Benzenediamine, N,N-dimethyl-N'-(1-phenylethylidene)-","","CC(=NC1=CC=C(C=C1)N(C)C)C2=CC=CC=C2","JQTKLRWZPMSEKW-UHFFFAOYSA-N","353259",NA,"PDBC07776","600882","Present"
-"1,4-Benzenediamine, N1-9-acridinyl-2-methoxy-","","","","","","","","","","","","","","","","","","","","1,4-benzenediamine, n1-9-acridinyl-2-methoxy-","","COC1=C(C=CC(=C1)N)NC2=C3C=CC=CC3=NC4=CC=CC=C42","ZFZIUGOGRMNHQT-UHFFFAOYSA-N","334401",NA,"PDBC07777","339496","Present"
-"1,4-Benzenediol, 2-(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","DA-28952","","C1=CC=C(C=C1)CC2=C(C=CC(=C2)O)O","NEWPHVNFSATQRX-UHFFFAOYSA-N","74354",NA,"PDBC07778","99303","Present"
-"1,4-Benzenediol, 2-octyl-","","","","","","","","","","","","","","","","","","","","Hydroquinone, octyl-","","CCCCCCCCC1=C(C=CC(=C1)O)O","ZZXILYOBAFPJNS-UHFFFAOYSA-N","74352",NA,"PDBC07779","99310","Present"
-"1,4-Benzodioxin-2-carboxamide, 6-(4-oxo-4-H-1-benzopyran-2-yl)-N-(3-pyridinylmethyl)-","","","","","","","","","","","","","","","","","","","","1,4-Benzodioxin-2-carboxamide, 6-(4-oxo-4-H-1- benzopyra...","","C1C(OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3)C(=O)NCC5=CN=CC=C5","CQMNZRRKXROANJ-UHFFFAOYSA-N","361051",NA,"PDBC07780","623794","Present"
-"1,4-Benzodioxine-2,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","DRVWQGVLMRLICO-UHFFFAOYSA-N","","C1=CC=C2C(=C1)OC(=C(O2)C(=O)O)C(=O)O","DRVWQGVLMRLICO-UHFFFAOYSA-N","357618",NA,"PDBC07781","617142","Present"
-"1,4-Benzotriazin-6-propenoic acid, methyl ester (94:6 E/Z mixture)","","","","","","","","","","","","","","","","","","","","1,2,4-Benzotriazin-6-propenoic acid, methyl ester (94:6 ...","","COC(=O)C=CC1=CC2=C(C=C1)N=NC=N2.COC(=O)C=CC1=CC2=C(C=C1)N=NC=N2","XTOPZQJQRDDCNE-SYXICLKWSA-N","5387496",NA,"PDBC07782","624254","Present"
-"1,4-Biphenylene-bis(triphenylphosphonium) dibromide","","","","","","","","","","","","","","","","","","","","1,4-biphenylene-bis(triphenylphosphonium) dibromide","","C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-]","JMDPFOVNHADRDG-UHFFFAOYSA-M","54610386",NA,"PDBC07783","173778","Present"
-"1,4-Bis((2,5-dichlorophenyl)sulfonyl)piperazine","","","","","","","","","","","","","","","","","","","","1,4-Bis((2,5-dichlorophenyl)sulfonyl)piperazine","","C1CN(CCN1S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl","NQSRRVDPIUHVKK-UHFFFAOYSA-N","386372",NA,"PDBC07784","678256","Present"
-"1,4-Bis((4-(dimethylamino)butyl)amino)-5,8-dihydroxy-9,10-anthracenedione","","","","","","","","","","","","","","","","","","","","9,10-Anthracenedione, 1,4-bis[[4-(dimethylamino)butyl]am...","","CN(C)CCCCNC1=C2C(=C(C=C1)NCCCCN(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O","LPSUCJBWBVUILJ-UHFFFAOYSA-N","72736",NA,"PDBC07785","186848","Present"
-"1,4-Bis((4-chlorophenoxy)acetyl)-1,2,3,4-tetrahydroquinoxaline","","","","","","","","","","","","","","","","","","","","1,4-Bis((4-chlorophenoxy)acetyl)-1,2,3,4-tetrahydroquinoxaline","","C1CN(C2=CC=CC=C2N1C(=O)COC3=CC=C(C=C3)Cl)C(=O)COC4=CC=C(C=C4)Cl","PDFJVKIAUGLZCG-UHFFFAOYSA-N","371919",NA,"PDBC07786","646503","Present"
-"1,4-Bis((4-methylphenyl)dithio)-2,3-butanediol","","","","","","","","","","","","","","","","","","","","NSC624153///NSC624154","","CC1=CC=C(C=C1)SSCC(C(CSSC2=CC=C(C=C2)C)O)O","FMZZGVNNDQNDED-UHFFFAOYSA-N","361191",NA,"PDBC07787","624153///624154","Present"
-"1,4-Bis((oxiranylmethyl)amino)-9,10-anthracenedione","","","","","","","","","","","","","","","","","","","","st-daae-1,4-(ii)","","C1C(O1)CNC2=C3C(=C(C=C2)NCC4CO4)C(=O)C5=CC=CC=C5C3=O","LGYRALFKRRVBET-UHFFFAOYSA-N","100214",NA,"PDBC07788","380212","Present"
-"1,4-Bis(1,4-dicyano-2-butyl)piperazine","","","","","","","","","","","","","","","","","","","","LS-15270","","C1CN(CCN1C(CCC#N)CC#N)C(CCC#N)CC#N","LGQVPACUGWLKCJ-UHFFFAOYSA-N","377589",NA,"PDBC07789","659156","Present"
-"1,4-Bis(1-phenylethyl)piperazine","","","","","","","","","","","","","","","","","","","","1,4-Bis(1-phenylethyl)piperazine","","CC(C1=CC=CC=C1)N2CCN(CC2)C(C)C3=CC=CC=C3","FQNIOAVLCZLWON-UHFFFAOYSA-N","224749",NA,"PDBC07790","13512","Present"
-"1,4-Bis(1H-imidazol-2-ylmethyl)piperazine","","","","","","","","","","","","","","","","","","","","1,4-Bis(1H-imidazol-2-ylmethyl)piperazine","","C1CN(CCN1CC2=NC=CN2)CC3=NC=CN3","XTNZWHFJUQTAIL-UHFFFAOYSA-N","272245",NA,"PDBC07791","116533","Present"
-"1,4-Bis(2,2,6,6-tetramethyl-4-piperidinyl)piperazine","","","","","","","","","","","","","","","","","","","","1,4-Bis(2,2,6,6-tetramethyl-4-piperidinyl)piperazine","","CC1(CC(CC(N1)(C)C)N2CCN(CC2)C3CC(NC(C3)(C)C)(C)C)C","ZMSOWGAYZMVMPV-UHFFFAOYSA-N","365209",NA,"PDBC07792","632537","Present"
-"1,4-Bis(2,3-dihydroxypropylamino)anthraquinone","","","","","","","","","","","","","","","","","","","","HC Blue no. 14","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCC(CO)O)NCC(CO)O","AQNZDXHBYRTSHA-UHFFFAOYSA-N","384121",NA,"PDBC07793","673351","Present"
-"1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane;1,1-dioxo-1,2-benzothiazol-3-olate","","","","","","","","","","","","","","","","","","","","1,4-Diazoniabicyclo[2.2.1]heptane, 1,4-bis(2-chloroethyl...","","C1C[N+]2(CC[N+]1(C2)CCCl)CCCl.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]","JZKJKCNADZAUSH-UHFFFAOYSA-M","5458511",NA,"PDBC07794","267235","Present"
-"1,4-Bis(2-ethoxyethoxy)benzene","","","","","","","","","","","","","","","","","","","","1,4-Bis(2-ethoxyethoxy)benzene","","CCOCCOC1=CC=C(C=C1)OCCOCC","XVXKTCGFRFLJPF-UHFFFAOYSA-N","358350",NA,"PDBC07795","618317","Present"
-"1,4-Bis(2-furyl)-2-(3-thienyl)butane-1,4-dione","","","","","","","","","","","","","","","","","","","","1,4-Di(2-furyl)-2-(3-thienyl)-1,4-butanedione","","C1=COC(=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=CO3","KPVREZKVTKBAAE-UHFFFAOYSA-N","395528",NA,"PDBC07796","700218","Present"
-"1,4-Bis(2-methoxyethoxymethoxy)anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1,4-Bis(2-methoxyethoxymethoxy)anthracene-9,10-dione","","COCCOCOC1=C2C(=C(C=C1)OCOCCOC)C(=O)C3=CC=CC=C3C2=O","XQLPSNMIZICTAW-UHFFFAOYSA-N","358259",NA,"PDBC07797","618202","Present"
-"1,4-Bis(2-methylaziridin-1-yl)butane-2,3-diol","","","","","","","","","","","","","","","","","","","","2,3-Butanediol, 1,4-bis(2-methyl-1-aziridinyl)- (8CI)","","CC1CN1CC(C(CN2CC2C)O)O","JIXGRSTZINBWQO-UHFFFAOYSA-N","254975",NA,"PDBC07798","80103","Present"
-"1,4-Bis(2-methylbenzoyl)piperazine","","","","","","","","","","","","","","","","","","","","1,4-Bis(2-methylbenzoyl)piperazine","","CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C","YTKABHKOSIOQRN-UHFFFAOYSA-N","365210",NA,"PDBC07799","632538","Present"
-"1,4-Bis(2-naphthylsulfonyl)piperazine","","","","","","","","","","","","","","","","","","","","AG-205/05873030","","C1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4","VKMRIXLRGPESPU-UHFFFAOYSA-N","235633",NA,"PDBC07800","37245","Present"
-"1,4-Bis(3-methyl-2-butenoyl)piperazine","","","","","","","","","","","","","","","","","","","","1,4-Bis(3-methyl-2-butenoyl)piperazine","","CC(=CC(=O)N1CCN(CC1)C(=O)C=C(C)C)C","ZKNHBSVPDZYJAT-UHFFFAOYSA-N","365212",NA,"PDBC07801","632540","Present"
-"1,4-Bis(3-methylbutanoyl)-1,2,3,4-tetrahydroquinoxaline","","","","","","","","","","","","","","","","","","","","1,4-Bis(3-methylbutanoyl)-1,2,3,4-tetrahydroquinoxaline","","CC(C)CC(=O)N1CCN(C2=CC=CC=C21)C(=O)CC(C)C","ZISLECGKUMKXQZ-UHFFFAOYSA-N","371898",NA,"PDBC07802","646482","Present"
-"1,4-Bis(3-thienyl)butane-1,4-dione","","","","","","","","","","","","","","","","","","","","1,4-Di(3'-thienyl)1,4-butanedione","","C1=CSC=C1C(=O)CCC(=O)C2=CSC=C2","JMMOGNMGICVYJG-UHFFFAOYSA-N","395504",NA,"PDBC07803","700146","Present"
-"1,4-Bis(4-dimethylaminostyryl)benzene","","","","","","","","","","","","","","","","","","","","1,4-Bis(4-dimethylaminostyryl)benzene","","CN(C)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=CC3=CC=C(C=C3)N(C)C","FQSHCTXVYDFFOB-WGDLNXRISA-N","5387814",NA,"PDBC07804","627662","Present"
-"1,4-Bis(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoxaline","","","","","","","","","","","","","","","","","","","","1,4-Bis(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoxaline","","CC1=CC=C(C=C1)C(=O)N2CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C","GZDWVOAMWISEQR-UHFFFAOYSA-N","371920",NA,"PDBC07805","646504","Present"
-"1,4-Bis(5-acetyl-4,7-dimethoxybenzofuran-6-yloxy)butane","","","","","","","","","","","","","","","","","","","","1,4-bis(5-acetyl-4,7-dimethoxybenzofuran-6-yloxy)butane","","CC(=O)C1=C(C2=C(C(=C1OCCCCOC3=C(C4=C(C=CO4)C(=C3C(=O)C)OC)OC)OC)OC=C2)OC","COMZVXDOQNNTIT-UHFFFAOYSA-N","10239474",NA,"PDBC07806","743185","Present"
-"1,4-Bis(bromomethyl)benzene","","","","","","","","","","","","","","","","","","","","p-xylylene dibromide","","C1=CC(=CC=C1CBr)CBr","RBZMSGOBSOCYHR-UHFFFAOYSA-N","69335",NA,"PDBC07807","6226","Present"
-"1,4-Bis(chloromethyl)-2-nitrobenzene","","","","","","","","","","","","","","","","","","","","ALBB-026253","","C1=CC(=C(C=C1CCl)[N+](=O)[O-])CCl","AJBJABQEANMSMG-UHFFFAOYSA-N","352121",NA,"PDBC07808","525118","Present"
-"1,4-Bis(diethoxyphosphorylmethyl)-1,4,7-triazonane","","","","","","","","","","","","","","","","","","","","1,4-Bis(diethoxyphosphorylmethyl)-1,4,7-triazonane","","CCOP(=O)(CN1CCNCCN(CC1)CP(=O)(OCC)OCC)OCC","WREFZCRJNXBADO-UHFFFAOYSA-N","393899",NA,"PDBC07809","696859","Present"
-"1,4-Bis(fluoromethanesulfonyloxy)-butane","","","","","","","","","","","","","","","","","","","","1,4-bis(fluoromethanesulfonyloxy)-butane","","C(CCOS(=O)(=O)CF)COS(=O)(=O)CF","ISIGLRLLIAZYJG-UHFFFAOYSA-N","365755",NA,"PDBC07810","633784","Present"
-"1,4-Bis(oxiran-2-ylmethoxy)anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1,4-Bis(oxiran-2-ylmethoxy)anthracene-9,10-dione","","C1C(O1)COC2=C3C(=C(C=C2)OCC4CO4)C(=O)C5=CC=CC=C5C3=O","TVXSGQKVOUXJCZ-UHFFFAOYSA-N","176718",NA,"PDBC07811","673350","Present"
-"1,4-Bis(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline","","","","","","","","","","","","","","","","","","","","1,4-Bis(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline","","C1CN(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","GWRPVMKQEIVDKV-UHFFFAOYSA-N","250569",NA,"PDBC07812","70127","Present"
-"1,4-Bis[(4-bromophenyl)sulfonyl]piperazine","","","","","","","","","","","","","","","","","","","","AF-399/14739252","","C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Br","DDRUIQJRPPUKBI-UHFFFAOYSA-N","242937",NA,"PDBC07813","52003","Present"
-"1,4-Bis[10-[ethyl-[(2-methoxyphenyl)methyl]amino]decyl]piperazine-2,5-dione;oxalic acid","","","","","","","","","","","","","","","","","","","","1,4-Bis-{10-[ethyl-(2-methoxy-benzyl)-amino]-decyl}-pipe...","","CCN(CCCCCCCCCCN1CC(=O)N(CC1=O)CCCCCCCCCCN(CC)CC2=CC=CC=C2OC)CC3=CC=CC=C3OC.C(=O)(C(=O)O)O","DVFLHVZSQAONKP-UHFFFAOYSA-N","54613232",NA,"PDBC07814","750891","Present"
-"1,4-Bis[2-(4-methoxyphenyl)ethyl]piperazine;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1,4-Bis[2-(4-methoxyphenyl)ethyl]piperazine;(Z)-but-2-enedioic acid","","COC1=CC=C(C=C1)CCN2CCN(CC2)CCC3=CC=C(C=C3)OC.C(=CC(=O)O)C(=O)O","QENQSBMPLQAIJN-BTJKTKAUSA-N","5471946",NA,"PDBC07815","715542","Present"
-"1,4-Bis[2-amino-4-(2-hydroxy-5-methylphenyl)thiazole]methyl piperizine","","","","","","","","","","","","","","","","","","","","1,4-bis[2-amino-4-(2-hydroxy-5-methylphenyl)thiazole]met...","","CC1=CC(=C(C=C1)O)C2=CSC(=N2)NCN3CCN(CC3)CNC4=NC(=CS4)C5=C(C=CC(=C5)C)O","ZQGTYHJKDCPYQN-UHFFFAOYSA-N","399969",NA,"PDBC07816","711121","Present"
-"1,4-Bis[3-(1-naphthylmethylamino)propyl]piperazine","","","","","","","","","","","","","","","","","","","","1,4-Bis[3-(1-naphthylmethylamino)propyl]piperazine","","C1CN(CCN1CCCNCC2=CC=CC3=CC=CC=C32)CCCNCC4=CC=CC5=CC=CC=C54","ZQIIXAMHFLUAFR-UHFFFAOYSA-N","364094",NA,"PDBC07817","629735","Present"
-"1,4-Bis[3-[3-(1-naphthyl)ureido]propyl]piperazine","","","","","","","","","","","","","","","","","","","","1,4-Bis[3-[3-(1-naphthyl)ureido]propyl]piperazine","","C1CN(CCN1CCCNC(=O)NC2=CC=CC3=CC=CC=C32)CCCNC(=O)NC4=CC=CC5=CC=CC=C54","JLVXZOXKBTUPCY-UHFFFAOYSA-N","387929",NA,"PDBC07818","682234","Present"
-"1,4-Bis[4-(1H-benzimidazol-2-yl)phenyl]piperazine","","","","","","","","","","","","","","","","","","","","1,4-bis[4-(1H-benzimidazol-2-yl)phenyl]piperazine","","C1CN(CCN1C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)C6=NC7=CC=CC=C7N6.Cl","JSKIPOMMYWRTKJ-UHFFFAOYSA-N","24202806",NA,"PDBC07819","725993","Present"
-"1,4-Bis[[(E)-2-(4-fluorophenyl)vinyl]sulfonylmethyl]benzene","","","","","","","","","","","","","","","","","","","","1,4-Bis[[(E)-2-(4-fluorophenyl)vinyl]sulfonylmethyl]benzene","","C1=CC(=CC=C1CS(=O)(=O)C=CC2=CC=C(C=C2)F)CS(=O)(=O)C=CC3=CC=C(C=C3)F","KHIKAWPBFCLNAD-WXUKJITCSA-N","5388092",NA,"PDBC07820","631693","Present"
-"1,4-Bis[[2-hydroxy-3-(propylamino)propyl]amino]anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","9,10-Anthracenedione, 1,4-bis[[2-hydroxy-3-(propylamino)...","","CCCNCC(CNC1=C2C(=C(C=C1)NCC(CNCCC)O)C(=O)C3=CC=CC=C3C2=O)O","WCRQCMGSZFHMTN-UHFFFAOYSA-N","384120",NA,"PDBC07821","673349","Present"
-"1,4-Butanediamine, N,N'-diethyl-","","","","","","","","","","","","","","","","","","","","n,n'-diethylbutylenediamine","","CCNCCCCNCC","WHDUKLPCKZTPFY-UHFFFAOYSA-N","88062",NA,"PDBC07822","166327","Present"
-"1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-","","","","","","","","","","","","","","","","","","","","WLN: T3OTJ BVR& CVR","","C1=CC=C(C=C1)C(=O)C2C(O2)C(=O)C3=CC=CC=C3","ADFLDJCSCJHDEY-UHFFFAOYSA-N","20502",NA,"PDBC07823","39792","Present"
-"1,4-Cubanedicarboxamide","","","","","","","","","","","","","","","","","","","","1,4-Cubanedicarboxamide","","C12C3C4C1(C5C2C3(C45)C(=O)N)C(=O)N","NWHUFDQYQYJTDD-UHFFFAOYSA-N","369224",NA,"PDBC07824","640930","Present"
-"1,4-Di(1-aziridinyl)-2,3-butanediol","","","","","","","","","","","","","","","","","","","","1,4-Bis(aziridin-1-yl)butane-2,3-diol","","C1CN1CC(C(CN2CC2)O)O","COMAQBNTHGBLNQ-UHFFFAOYSA-N","24078",NA,"PDBC07825","41458","Present"
-"1,4-Di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate","","","","","","","","","","","","","","","","","","","","1,4-Di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate","","CS(=O)(=O)O.C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C3=NC4=CC=CC=C4N3)O)O)O)O","JCPRLKBUWUVXNW-UHFFFAOYSA-N","5351931",NA,"PDBC07826","96948","Present"
-"1,4-Di-N-oxide-2-acethyl-3-trifluoromethylquinoxaline","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-acethyl-3-trifluoromethylquinoxaline","","CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F","OLTLCPGFNFJXOB-UHFFFAOYSA-N","406608",NA,"PDBC07827","724828","Present"
-"1,4-Di-N-oxide-2-etoxycarbonyl-3-trifluormethylquinoxaline.","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-etoxycarbonyl-3-trifluormethylquinoxaline.","","CCC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F","LHHMKRZKHLQBPP-UHFFFAOYSA-N","406027",NA,"PDBC07828","723909","Present"
-"1,4-Di-N-oxide-2-isopropylcarbonyl-3-trifluoromethylquinoxal ine","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-isopropylcarbonyl-3-trifluoromethylquin...","","CC(C)C(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F","VYXLHTDRCABXDG-UHFFFAOYSA-N","24202896",NA,"PDBC07829","726186","Present"
-"1,4-Di-N-oxide-2-phenylcarbonyl-3-trifluoromethylquinoxaline","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-phenylcarbonyl-3-trifluoromethylquinoxa...","","C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C(F)(F)F","XVCGPNCBQNYBMA-UHFFFAOYSA-N","405497",NA,"PDBC07830","722854","Present"
-"1,4-Diacetoxynaphthalene","","","","","","","","","","","","","","","","","","","","1,4-Diacetoxynaphthalene","","CC(=O)OC1=CC=C(C2=CC=CC=C21)OC(=O)C","SFAVMNCWIUOBCX-UHFFFAOYSA-N","79775",NA,"PDBC07831","30652","Present"
-"1,4-Diallyl-2,3,5,6-piperazinetetrone","","","","","","","","","","","","","","","","","","","","1,4-Diallyl-2,3,5,6-piperazinetetrone","","C=CCN1C(=O)C(=O)N(C(=O)C1=O)CC=C","JMSZMHHDUDZALN-UHFFFAOYSA-N","361889",NA,"PDBC07832","625234","Present"
-"1,4-Diallyl-3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione","","","","","","","","","","","","","","","","","","","","1,4-Diallyl-3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione","","CC12CC(=O)C(C1(CC(=O)C2CC=C)C)CC=C","YBOIABIWEKRFCE-UHFFFAOYSA-N","363104",NA,"PDBC07833","627674","Present"
-"1,4-Diamino-2,3-dimethoxy-6,8-dimethyl-7H-benzo[a]cyclohepten-7-one","","","","","","","","","","","","","","","","","","","","1,4-Diamino-2,3-dimethoxy-6,8-dimethyl-7H-benzo[a]cyclohepten-7-one","","CC1=CC2=C(C=C(C1=O)C)C(=C(C(=C2N)OC)OC)N","OQNVBWBPFVGHIX-UHFFFAOYSA-N","373410",NA,"PDBC07834","649665","Present"
-"1,4-Diamino-3,6-dimethyl-2,5-pentalenedicarbonitrile","","","","","","","","","","","","","","","","","","","","1,4-Diamino-3,6-dimethyl-2,5-pentalenedicarbonitrile","","CC1=C(C(=C2C1=C(C(=C2C)C#N)N)N)C#N","WMFZIMVIYDKMKV-UHFFFAOYSA-N","361862",NA,"PDBC07835","625183","Present"
-"1,4-Diamino-5-nitroanthraquinone","","","","","","","","","","","","","","","","","","","","nitrocresolamine","","C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)N)N","SDICTISQCKLMEB-UHFFFAOYSA-N","4421615",NA,"PDBC07836","81260","Present"
-"1,4-Diaminoanthraquinone","","","","","","","","","","","","","","","","","","","","krisolamine","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)N","FBMQNRKSAWNXBT-UHFFFAOYSA-N","31420",NA,"PDBC07837","7833","Present"
-"1,4-Dibenzyl-6-(phenylsulfonyl)-1,4-diazepane","","","","","","","","","","","","","","","","","","","","1,4-Dibenzyl-6-(phenylsulfonyl)-1,4-diazepane","","C1CN(CC(CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4","SZDFOTCYTLGZIY-UHFFFAOYSA-N","361157",NA,"PDBC07838","623989","Present"
-"1,4-Dibromo-1,4-dinitrocyclohexane","","","","","","","","","","","","","","","","","","","","NSC281693","","C1CC(CCC1([N+](=O)[O-])Br)([N+](=O)[O-])Br","GGEBPNFRWOARLN-UHFFFAOYSA-N","322988",NA,"PDBC07839","281693","Present"
-"1,4-Dicarboxylic acid, 2,3-dihydroxy-, dimethyl ester, disodium salt","","","","","","","","","","","","","","","","","","","","1,3-Cyclohexadiene-1,4-dicarboxylic acid, 2,3-dihydroxy-...","","COC(=O)C1=C(C(=C(CC1)C(=O)OC)O)O.[Na+]","HVKJIDRVLYMATC-UHFFFAOYSA-N","54723280",NA,"PDBC07840","632937","Present"
-"1,4-Dichloro-2,5-bis[(E)-2-nitroethenyl]benzene","","","","","","","","","","","","","","","","","","","","Benzene, 1,4-dichloro-2,5-bis(2-nitroethenyl)-","","C1=C(C(=CC(=C1Cl)C=C[N+](=O)[O-])Cl)C=C[N+](=O)[O-]","DFJKZFPZBIIMAS-ZPUQHVIOSA-N","21140908",NA,"PDBC07841","351239","Present"
-"1,4-Dichloro-7,7-dimethoxybicyclo[2.2.1]hept-2-yl acetate","","","","","","","","","","","","","","","","","","","","1,4-Dichloro-7,7-dimethoxybicyclo[2.2.1]hept-2-yl acetate","","CC(=O)OC1CC2(CCC1(C2(OC)OC)Cl)Cl","SNARFCHDDVFFME-UHFFFAOYSA-N","380733",NA,"PDBC07842","666440","Present"
-"1,4-Dihydro-2,3-benzodithiine 2-oxide","","","","","","","","","","","","","","","","","","","","1,4-Dihydro-2,3-benzodithiine 2-oxide","","C1C2=CC=CC=C2CS(=O)S1","VORNVNVQZGBFKO-UHFFFAOYSA-N","361199",NA,"PDBC07843","624163","Present"
-"1,4-Dihydropyridazino[1,2-b]phthalazine-6,11-dione","","","","","","","","","","","","","","","","","","","","BRD-K12582630-001-01-4","","C1C=CCN2N1C(=O)C3=CC=CC=C3C2=O","JNCDYRQRBJYFFX-UHFFFAOYSA-N","363032",NA,"PDBC07844","627576","Present"
-"1,4-Dihydropyridazino[1,2-b]phthalazine-6,11-dithione","","","","","","","","","","","","","","","","","","","","1,4-Dihydropyridazino[1,2-b]phthalazine-6,11-dithione","","C1C=CCN2N1C(=S)C3=CC=CC=C3C2=S","OEHSNIKAXGMRMW-UHFFFAOYSA-N","363031",NA,"PDBC07845","627575","Present"
-"1,4-Dihydroxy-2,3-bis(prop-1-ynyl)anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1,4-Dihydroxy-2,3-di(prop-1-yn-1-yl)anthracene-9,10-dione","","CC#CC1=C(C(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O)C#CC","ULSVJTHNGLZKJK-UHFFFAOYSA-N","374058",NA,"PDBC07846","651314","Present"
-"1,4-Dihydroxy-2-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","9,10-Anthracenedione, 1,4-dihydroxy-2-[[2-[(2-hydroxyeth...","","C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCNCCO)O","QVDYNRJLVYYQRZ-UHFFFAOYSA-N","432860",NA,"PDBC07847","316157","Present"
-"1,4-Dihydroxy-2-[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1,4-Dihydroxy-2-[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione","","C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCCNCCO)O","VKQCDUDECMFRJO-UHFFFAOYSA-N","432861",NA,"PDBC07848","316158","Present"
-"1,4-Dihydroxy-9(10H)-acridinone","","","","","","","","","","","","","","","","","","","","1,4-Dihydroxy-9(10H)-acridinone","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)O)O","JELGJYKLOMUUTO-UHFFFAOYSA-N","5387718",NA,"PDBC07849","625991","Present"
-"1,4-Dihydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2,3-Quinizarindicarbonitrile","","C1=CC=C2C(=C1)C(=O)C3=C(C(=C(C(=C3C2=O)O)C#N)C#N)O","XZPHNGYVABZCEK-UHFFFAOYSA-N","410191",NA,"PDBC07850","27034","Present"
-"1,4-Dihydroxyanthraquinone","","","","","","","","","","","","","","","","","","","","quinizarin","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O","GUEIZVNYDFNHJU-UHFFFAOYSA-N","6688",NA,"PDBC07851","15367","Present"
-"1,4-Dimethoxy-10H-acridine-9-thione","","","","","","","","","","","","","","","","","","","","9(10H)-Acridinethione, 1,4-dimethoxy-","","COC1=C2C(=C(C=C1)OC)NC3=CC=CC=C3C2=S","KFAKESMKRPNZTM-UHFFFAOYSA-N","3004085",NA,"PDBC07852","625987","Present"
-"1,4-Dimethoxy-2,3-bis(prop-1-ynyl)anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1,4-Dimethoxy-2,3-di(prop-1-yn-1-yl)anthracene-9,10-dione","","CC#CC1=C(C(=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)OC)C#CC","QFISLFPXRHAADL-UHFFFAOYSA-N","374059",NA,"PDBC07853","651315","Present"
-"1,4-Dimethoxy-2-[(4-methoxyphenyl)sulfanylmethyl]benzene","","","","","","","","","","","","","","","","","","","","1,4-Dimethoxy-2-[(4-methoxyphenyl)sulfanylmethyl]benzene","","COC1=CC=C(C=C1)SCC2=C(C=CC(=C2)OC)OC","GJHACXPIFHYIEZ-UHFFFAOYSA-N","384133",NA,"PDBC07854","673420","Present"
-"1,4-Dimethoxy-2-[(4-methoxyphenyl)sulfinylmethyl]benzene","","","","","","","","","","","","","","","","","","","","2,5-Dimethoxybenzyl 4-methoxyphenyl sulfoxide","","COC1=CC=C(C=C1)S(=O)CC2=C(C=CC(=C2)OC)OC","JUHWKKKZJJGMMI-UHFFFAOYSA-N","384135",NA,"PDBC07855","673422","Present"
-"1,4-Dimethoxy-2-[(E)-2-nitroethenyl]benzene","","","","","","","","","","","","","","","","","","","","Styrene, 2,5-dimethoxy-.beta.-nitro-///NSC610188","","COC1=CC(=C(C=C1)OC)C=C[N+](=O)[O-]","IRRZIWHEPWPPJF-AATRIKPKSA-N","5375912",NA,"PDBC07856","158921///610188","Present"
-"1,4-Dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene","","","","","","","","","","","","","","","","","","","","1,4-Dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene","","CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC)OC","BXTXYPSBCALRCV-UYWSHKLTSA-N","5469377",NA,"PDBC07857","687150","Present"
-"1,4-Dimethoxy-2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene","","","","","","","","","","","","","","","","","","","","1,4-Dimethoxy-2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene","","CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)OC)OC","KSMNGEPNRHMKHQ-HPNDGRJYSA-N","5469371",NA,"PDBC07858","687144","Present"
-"1,4-Dimethoxy-7,12-dimethylbenzo[a]anthracene","","","","","","","","","","","","","","","","","","","","1,4-Dimethoxy-7,12-dimethylbenz[a]anthracene","","CC1=C2C=CC3=C(C=CC(=C3C2=C(C4=CC=CC=C14)C)OC)OC","MAHXOZGHSVXBGT-UHFFFAOYSA-N","383210",NA,"PDBC07859","671326","Present"
-"1,4-Dimethoxy-7-bromo-5H-benzocycloheptene","","","","","","","","","","","","","","","","","","","","1,4-Dimethoxy-7-bromo-5H-benzocycloheptene","","COC1=C2CC=C(C=CC2=C(C=C1)OC)Br","PFZHINPSVZUXLC-UHFFFAOYSA-N","384503",NA,"PDBC07860","674351","Present"
-"1,4-Dimethoxy-9-acridanone","","","","","","","","","","","","","","","","","","","","1,4-Dimethoxy-9-acridanone","","COC1=C2C(=C(C=C1)OC)NC3=CC=CC=C3C2=O","QKVCYGPAEDHOCX-UHFFFAOYSA-N","362329",NA,"PDBC07861","625988","Present"
-"1,4-Dimethyl-2,6-diphenyl-piperidin-4-ol","","","","","","","","","","","","","","","","","","","","1,4-Dimethyl-2,6-diphenyl-piperidin-4-ol","","CC1(CC(N(C(C1)C2=CC=CC=C2)C)C3=CC=CC=C3)O","YKVNCLSIBPRPTL-UHFFFAOYSA-N","339054",NA,"PDBC07862","363972","Present"
-"1,4-Dimethyl-3-phenylpyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1,4-Dimethyl-3-phenylpyrazino[1,2-a]benzimidazole","","CC1=C(N=C(C2=NC3=CC=CC=C3N12)C)C4=CC=CC=C4","WLHLQWNVRWRKRJ-UHFFFAOYSA-N","384473",NA,"PDBC07863","674275","Present"
-"1,4-Dimethyl-5,6-dihydrobenzo[c]acridine","","","","","","","","","","","","","","","","","","","","1,4-Dimethyl-5,6-dihydrobenzo[c]acridine","","CC1=C2CCC3=CC4=CC=CC=C4N=C3C2=C(C=C1)C","OTMRTVOVSLBWCK-UHFFFAOYSA-N","371224",NA,"PDBC07864","645281","Present"
-"1,4-Dimethyl-8-(2-(2-pyridinyl)ethyl)-1,4,8,11-tetraazacyclotetradecane","","","","","","","","","","","","","","","","","","","","1,4-Dimethyl-8-(2-(2-pyridinyl)ethyl)-1,4,8,11-tetraazacyclotetradecane","","CN1CCCNCCN(CCCN(CC1)C)CCC2=CC=CC=N2","YRVNCVABXMBHRD-UHFFFAOYSA-N","369506",NA,"PDBC07865","641286","Present"
-"1,4-Dimethyl-9,10-bis(2-phenylethynyl)anthracene-9,10-diol","","","","","","","","","","","","","","","","","","","","1,4-Dimethyl-9,10-bis(2-phenylethynyl)anthracene-9,10-diol","","CC1=C2C(=C(C=C1)C)C(C3=CC=CC=C3C2(C#CC4=CC=CC=C4)O)(C#CC5=CC=CC=C5)O","LIJDDZSESNXDAV-UHFFFAOYSA-N","323138",NA,"PDBC07866","281971","Present"
-"1,4-Dimethyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide","","","","","","","","","","","","","","","","","","","","9H-Indeno[1,2-d][1,2]oxathiin-9-one, 1,4-dimethyl-, 3,3-...","","CC1=C2C(=C(S(=O)(=O)O1)C)C3=CC=CC=C3C2=O","JRQQRWJXBFEGRH-UHFFFAOYSA-N","296536",NA,"PDBC07867","166739","Present"
-"1,4-Dimethylpyrido[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1,4-Dimethylpyrido[1,2-a]benzimidazole","","CC1=CC=C(N2C1=NC3=CC=CC=C32)C","WDJODMMCUIFZJS-UHFFFAOYSA-N","378347",NA,"PDBC07868","660429","Present"
-"1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxaldehyde","","","","","","","","","","","","","","","","","","","","1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxaldehyde","","C1CC2(CC(=C1)C=O)OCCO2","YJFXAKDYLWSIIN-UHFFFAOYSA-N","359537",NA,"PDBC07869","620520","Present"
-"1,4-Dioxidopyrido[4,3-e][1,2,4]triazine-1,4-diium-3-amine","","","","","","","","","","","","","","","","","","","","1,4-Dioxidopyrido[4,3-e][1,2,4]triazine-1,4-diium-3-amine","","C1=CN=CC2=C1[N+](=C(N=[N+]2[O-])N)[O-]","BFCNWROUWVVSLR-UHFFFAOYSA-N","135429923",NA,"PDBC07870","611393","Present"
-"1,4-Ditert-butyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1,4-Ditert-butyl-1,2,4-triazolidine-3,5-dione","","CC(C)(C)N1C(=O)NN(C1=O)C(C)(C)C","IKNPRCQGQMFDNS-UHFFFAOYSA-N","391912",NA,"PDBC07871","691593","Present"
-"1,4-Ditert-butyl-2-phenyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1,4-Ditert-butyl-2-phenyl-1,2,4-triazolidine-3,5-dione","","CC(C)(C)N1C(=O)N(N(C1=O)C(C)(C)C)C2=CC=CC=C2","YFSFQHRQQABWMT-UHFFFAOYSA-N","390098",NA,"PDBC07872","687041","Present"
-"1,4-Dithiane-2,3,5,6-tetrone oxime","","","","","","","","","","","","","","","","","","","","1,4-Dithiane-2,3,5,6-tetrone oxime","","C1(=C(SC(=NO)C(=NO)S1)N=O)NO","QQYTXHCUIMDIPN-VHOZIDCHSA-N","135493979",NA,"PDBC07873","686482","Present"
-"1,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]-N,N-dimethyl-, monohydrobromide","","","","","","","","","","","","","","","","","","","","1,2,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]- N,N...","","CN(C)C1=NC(=NCC2=CC=CO2)SS1.Br","VVZWMEHUXGPOIY-UHFFFAOYSA-N","360474",NA,"PDBC07874","622608","Present"
-"1,4-Ditosyl-1,4-diazepane","","","","","","","","","","","","","","","","","","","","QC-48","","CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C","ORANQSHSAIBPEC-UHFFFAOYSA-N","373718",NA,"PDBC07875","650619","Present"
-"1,4-Epoxy-1H-2,3-benzodioxepin, 5-chloro-4,5-dihydro-1,4-diphenyl-","","","","","","","","","","","","","","","","","","","","1,4-Epoxy-1H-2,3-benzodioxepin, 5-chloro-4,5-dihydro-1,4-diphenyl-","","C1=CC=C(C=C1)C23C(C4=CC=CC=C4C(O2)(OO3)C5=CC=CC=C5)Cl","OOWNMAQQRZZARS-UHFFFAOYSA-N","360981",NA,"PDBC07876","623712","Present"
-"1,4-Epoxyanthracene-2,2,3,3-tetracarbonitrile, 1,4-dihydro-1,4-diphenyl-","","","","","","","","","","","","","","","","","","","","1,4-Epoxyanthracene, 1,4-diphenyl-2,2,3,3-tetracyano- 1,...","","C1=CC=C(C=C1)C23C4=CC5=CC=CC=C5C=C4C(O2)(C(C3(C#N)C#N)(C#N)C#N)C6=CC=CC=C6","QJJKHZQOOVMKJU-UHFFFAOYSA-N","363011",NA,"PDBC07877","627550","Present"
-"1,4-Epoxyanthracene-2,3-dicarboxylic acid, 1,4-dihydro-1,4-diphenyl-, dimethyl ester","","","","","","","","","","","","","","","","","","","","1,4-Epoxyanthracene-2,3-dicarboxylic acid, 1,4-dihydro-1,4-diphenyl-, dimethyl ester","","COC(=O)C1=C(C2(C3=CC4=CC=CC=C4C=C3C1(O2)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC","IWYXQHXXXMOGCF-UHFFFAOYSA-N","363016",NA,"PDBC07878","627555","Present"
-"1,4-Epoxyisoquinoline, 1,4-dihydro-3-phenyl-","","","","","","","","","","","","","","","","","","","","1,4-Epoxyisoquinoline, 1,4-dihydro-3-phenyl-","","C1=CC=C(C=C1)C2=NC3C4=CC=CC=C4C2O3","SUHOFGLAPMQIEI-UHFFFAOYSA-N","378708",NA,"PDBC07879","661813","Present"
-"1,4-Epoxynaphthalene-1(2H)-propanoic acid, 3,4-dihydro-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 3-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl)propanoate","","COC(=O)CCC12CCC(O1)C3=CC=CC=C23","RAEYJAPMCKFCSM-UHFFFAOYSA-N","384157",NA,"PDBC07880","673446","Present"
-"1,4-Ethano-5,8-methanonaphthalene-4a,8a-dicarboxylic acid, octahydro-","","","","","","","","","","","","","","","","","","","","1,4-Ethano-5,8-methanonaphthalene-4a,8a-dicarboxylic acid, octahydro-","","C1CC2CCC1C3(C2(C4CCC3C4)C(=O)O)C(=O)O","QFVWZVKEPRXVKZ-UHFFFAOYSA-N","380172",NA,"PDBC07881","665615","Present"
-"1,4-Ethanobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 1,4-dihydro-1-methyl-4-(1-methylethyl)-","","","","","","","","","","","","","","","","","","","","1,4-Ethanobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 1,4-dihydro-1-methyl-4-(1-methylethyl)-","","CC(C)C12CCC(C=C1)(N3N2C(=O)C4=CC5=CC=CC=C5C=C4C3=O)C","GTQKGZSMBCWFAA-UHFFFAOYSA-N","373134",NA,"PDBC07882","649076","Present"
-"1,4-Ethanobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 3-(acetyloxy)-1,4-dihydro-2-methyl-15-(1-methylethenyl)-","","","","","","","","","","","","","","","","","","","","(18-Methyl-3,14-dioxo-20-prop-1-en-2-yl-2,15-diazapentacyclo[14.2.2.02,15.04,13.06,11]icosa-4,6,8,10,12,17-hexaen-17-yl) acetate","","CC1=C(C2C(CC1N3N2C(=O)C4=CC5=CC=CC=C5C=C4C3=O)C(=C)C)OC(=O)C","UJLCVYUXORRAHT-UHFFFAOYSA-N","367860",NA,"PDBC07883","638027","Present"
-"1,4-Methanoindolo[1,2-b][1,2]benzisoxazol-11(1H)-one, 2,3,4,4a,11a,11b-hexahydro-11a-phenyl-","","","","","","","","","","","","","","","","","","","","1,4-Methanoindolo[1,2-b][1,2]benzisoxazol-11(1H)-one, 2,3,4,4a,11a,11b-hexahydro-11a-phenyl-","","C1CC2CC1C3C2ON4C3(C(=O)C5=CC=CC=C54)C6=CC=CC=C6","CBCQKZVNIUOMEJ-UHFFFAOYSA-N","374519",NA,"PDBC07884","652270","Present"
-"1,4-Methanonaphthalene, 1,2,3,4-tetrachloro-1,4,4a,8a-tetrahydro-9,9-dimethoxy-","","","","","","","","","","","","","","","","","","","","1,8,9,10-Tetrachloro-11,11-dimethoxytricyclo[6.2.1.02,7]undeca-3,5,9-triene","","COC1(C2(C3C=CC=CC3C1(C(=C2Cl)Cl)Cl)Cl)OC","OVHUTOPKMFWCLP-UHFFFAOYSA-N","370895",NA,"PDBC07885","644631","Present"
-"1,4-Methanonaphthalene, 1,2,3,4-tetrachloro-1,4,6,7-tetrahydro-9,9-dimethoxy-","","","","","","","","","","","","","","","","","","","","1,8,9,10-Tetrachloro-11,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,6,9-triene","","COC1(C2(C3=CCCC=C3C1(C(=C2Cl)Cl)Cl)Cl)OC","ICEZQUPYTITPJE-UHFFFAOYSA-N","370896",NA,"PDBC07886","644632","Present"
-"1,4-Methanonaphthalene-1(2H)-methanol, 2-(acetyloxy)-3,4-dihydro-, acetate","","","","","","","","","","","","","","","","","","","","(10-Acetyloxy-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)methyl acetate","","CC(=O)OCC12CC(CC1OC(=O)C)C3=CC=CC=C23","YSYHZIMNUXYFSP-UHFFFAOYSA-N","372428",NA,"PDBC07887","647542","Present"
-"1,4-Methanonaphthalene-1(4H)-carboxylic acid","","","","","","","","","","","","","","","","","","","","RCL T214817","","C1C2C=CC1(C3=CC=CC=C23)C(=O)O","MDCSRCMVAGQWEU-UHFFFAOYSA-N","372426",NA,"PDBC07888","647540","Present"
-"1,4-Methanonaphthalene-1(4H)-methanol","","","","","","","","","","","","","","","","","","","","1,4-Methanonaphthalene-1(4H)-methanol","","C1C2C=CC1(C3=CC=CC=C23)CO","LQNXISFTMGITAS-UHFFFAOYSA-N","372427",NA,"PDBC07889","647541","Present"
-"1,4-Methanopentalene, 2-(2,4-dinitrophenoxy)-1,2,3,3a,4,6a-hexahydro-","","","","","","","","","","","","","","","","","","","","NSC666428///NSC666430","","C1C2C=CC3C1C(CC23)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","PXIDSKRGSXBQGV-UHFFFAOYSA-N","380722",NA,"PDBC07890","666428///666430","Present"
-"1,4-Methanopentalene-2-carboxylic acid, octahydro-7-oxo-","","","","","","","","","","","","","","","","","","","","2-Oxotricyclo[4.3.0.03,7]nonane-4-carboxylic acid","","C1CC2C3C1C(C2=O)C(C3)C(=O)O","DJXDALFGIUAWMQ-UHFFFAOYSA-N","380716",NA,"PDBC07891","666423","Present"
-"1,4-Methanophenanthren-9-ol, 1,4-dihydro-10-methoxy-","","","","","","","","","","","","","","","","","","","","1,4-Methanophenanthren-9-ol, 1,4-dihydro-10-methoxy-","","COC1=C(C2=CC=CC=C2C3=C1C4CC3C=C4)O","ISTNMYZRHAPWOD-UHFFFAOYSA-N","375112",NA,"PDBC07892","654235","Present"
-"1,4-Naphthalenedione, 2,2'-(1H-indole-2,3-diyl)bis-","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 2,2'-(1H-indole-2,3-diyl)bis-","","C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3=C(NC4=CC=CC=C43)C5=CC(=O)C6=CC=CC=C6C5=O","BHGBQAOUNJGRMI-UHFFFAOYSA-N","362451",NA,"PDBC07893","626398","Present"
-"1,4-Naphthalenedione, 2-hydroxy-3-(3-(4-phenoxyphenyl)propyl)-","","","","","","","","","","","","","","","","","","","","2-HYDROXY-3-[3-(P-PHENOXYPHENYL)PROPYL]-1,4-NAPHTHOQUINONE","","C1=CC=C(C=C1)OC2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O","JVLITVTWAJLEKW-UHFFFAOYSA-N","219294",NA,"PDBC07894","377","Present"
-"1,4-Naphthalenedione, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-","","C1=CC(=O)C2=C(C(=C(C(=C2C1=O)O)CO)CO)O","UKIJXKRMFLDSMY-UHFFFAOYSA-N","313371",NA,"PDBC07895","227279","Present"
-"1,4-Naphthalenedione, 5-methoxy-","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 5-methoxy-","","COC1=CC=CC2=C1C(=O)C=CC2=O","DBDLTJRCKGCKSK-UHFFFAOYSA-N","123220",NA,"PDBC07896","618315","Present"
-"1,4-Naphthalenedione, 6,7-dichloro-5,8-dimethoxy-","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 6,7-dichloro-5,8-dimethoxy-","","COC1=C(C(=C(C2=C1C(=O)C=CC2=O)OC)Cl)Cl","FCDAWNBJZQLHPH-UHFFFAOYSA-N","375894",NA,"PDBC07897","656207","Present"
-"1,4-Naphthoquinone, 2-chloro-3-furfurylamino-","","","","","","","","","","","","","","","","","","","","1,4-Naphthoquinone, 2-chloro-3-furfurylamino-","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCC3=CC=CO3","HUQAZTJPZNRJDY-UHFFFAOYSA-N","239677",NA,"PDBC07898","45029","Present"
-"1,4-Oxazino[2,3-e]indazol-6(2H)-one, 3,4,6a,9,9a,9b-hexahydro-4-(2-hydroxyethyl)-9b-methoxy-6a,9-dimethyl-","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxyethyl)-9b-methoxy-6a,9-dimethyl-2,3,9,9a-tetrahydropyrazolo[3,4-h][1,4]benzoxazin-6-one","","CC1C2C(C(=O)C=C3C2(OCCN3CCO)OC)(N=N1)C","MRNKAUDSXQDBKD-UHFFFAOYSA-N","362832",NA,"PDBC07899","627202","Present"
-"1,4-Phenazinedicarboxylic acid, 7-methyl-, dimethyl ester","","","","","","","","","","","","","","","","","","","","1,4-Phenazinedicarboxylic acid, 7-methyl-, dimethyl ester","","CC1=CC2=NC3=C(C=CC(=C3N=C2C=C1)C(=O)OC)C(=O)OC","ZDNKMDSEIJLOBG-UHFFFAOYSA-N","362269",NA,"PDBC07900","625880","Present"
-"1,4-Phenylenebis((4-hydroxyphenyl)methanone)","","","","","","","","","","","","","","","","","","","","1,4-Phenylenebis((4-hydroxyphenyl)methanone)","","C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)O","ADUODNZKKNUWBZ-UHFFFAOYSA-N","331833",NA,"PDBC07901","326757","Present"
-"1,4-bis-[(3'-N-Morpholino)propylamino]anthraquinone","","","","","","","","","","","","","","","","","","","","1,4-bis-[(3'-N-Morpholino)propylamino]anthraquinone","","C1COCCN1CCCNC2=C3C(=C(C=C2)NCCCN4CCOCC4)C(=O)C5=CC=CC=C5C3=O","LZQHTOSKYAEQBZ-UHFFFAOYSA-N","386271",NA,"PDBC07902","678028","Present"
-"1,4-bis[(2-Aminoethyl)amino]-5,8-dihydroxyanthraquinone","","","","","","","","","","","","","","","","","","","","1,4-bis[(2-Aminoethyl)amino]-5,8-dihydroxyanthraquinone","","C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCN","CLVFWRBVFBUDQU-UHFFFAOYSA-N","125982",NA,"PDBC07903","645017","Present"
-"1,4-di-N-oxide-2-acethyl-3-bromomethylquinoxalina","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-acethyl-3-bromomethylquinoxalina","","CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CBr","JBGDLRVJRCXTDG-UHFFFAOYSA-N","404859",NA,"PDBC07904","721403","Present"
-"1,4-diaminoanthraquinone-2,3-dicarboximide","","","","","","","","","","","","","","","","","","","","1,4-diaminoanthraquinone-2,3-dicarboximide","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C4C(=C3N)C(=O)NC4=O)N","UOBRDAVIVQKFCM-UHFFFAOYSA-N","67192",NA,"PDBC07905","115447","Present"
-"1,4:5,8-Diepoxynaphthalene-4a(4H)-carboxylic acid, 1,5,8,8a-tetrahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2-carboxylate","","COC(=O)C12C3C=CC(C1C4C=CC2O4)O3","FZOLXPHPIQXHQV-UHFFFAOYSA-N","363379",NA,"PDBC07906","628261","Present"
-"1,4:5,8-Dimethanonaphthalene-2-propanenitrile, 3-cyano-1,2,3,4,4a,5,8,8a-octahydro-","","","","","","","","","","","","","","","","","","","","5-(2-Cyanoethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonitrile","","C1C2C=CC1C3C2C4CC3C(C4CCC#N)C#N","DDUMOHTYVYQIDE-UHFFFAOYSA-N","379821",NA,"PDBC07907","664949","Present"
-"1,4:5,8-Dimethanonaphthalene-4a,8a-dicarboxylic acid, octahydro-","","","","","","","","","","","","","","","","","","","","Tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylic acid","","C1CC2CC1C3(C2(C4CCC3C4)C(=O)O)C(=O)O","LTDGPFKSIOHZDI-UHFFFAOYSA-N","370518",NA,"PDBC07908","643743","Present"
-"1,4:9,10-Dimethanoanthracene-9(4H)-carboxylic acid, 1,2,3,4-tetrachloro-1,4a,9a,10-tetrahydro-12,12-dimethoxy-","","","","","","","","","","","","","","","","","","","","3,4,5,6-Tetrachloro-16,16-dimethoxypentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-4,9,11,13-tetraene-1-carboxylic acid","","COC1(C2(C3C4CC(C3C1(C(=C2Cl)Cl)Cl)(C5=CC=CC=C45)C(=O)O)Cl)OC","CJILBBFZBHOSEH-UHFFFAOYSA-N","372429",NA,"PDBC07909","647543","Present"
-"1,4R,5R,8R,12R,13S)-1,5-Dimethyl-10-(trifluorometh yl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexade c-9-en-9-yl]-3-hexene-1,6-diol","","","","","","","","","","","","","","","","","","","","1,6-bis[(1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(trifluoro...","","CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)C(CCCCC(C5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F)O)O","QBKSYZNQNHDRHO-SPJVOIJTSA-N","54612623",NA,"PDBC07910","725191","Present"
-"1,5'-Dioxo-1'-phenylspiro[furo[3,4-c]pyridine-3,3'-pyrazolidine]-4'-carbonitrile","","","","","","","","","","","","","","","","","","","","1,5'-Dioxo-1'-phenylspiro[furo[3,4-c]pyridine-3,3'-pyrazolidine]-4'-carbonitrile","","C1=CC=C(C=C1)N2C(=O)C(C3(N2)C4=C(C=CN=C4)C(=O)O3)C#N","TUXSEHKTMIZMDY-UHFFFAOYSA-N","389478",NA,"PDBC07911","685686","Present"
-"1,5,10,14,19,23,28,32-Octakis(trifluoromethylsulfonyl)-1,5,10,14,19,23,28,32-octazacyclohexatriacontane","","","","","","","","","","","","","","","","","","","","1,5,10,14,19,23,28,32-Octakis((trifluoromethyl)sulfonyl)-1,5,10,14,19,23,28,32-octaazacyclohexatriacontane","","C1CCN(CCCN(CCCCN(CCCN(CCCCN(CCCN(CCCCN(CCCN(C1)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F","OPXSKAHGTRSZHT-UHFFFAOYSA-N","385580",NA,"PDBC07912","676873","Present"
-"1,5,10-Trihydroxy-10-allylanthracene-9(10H)-one","","","","","","","","","","","","","","","","","","","","1,5,10-Trihydroxy-10-allylanthracene-9(10H)-one","","C=CCC1(C2=C(C(=CC=C2)O)C(=O)C3=C1C(=CC=C3)O)O","SQDOVFPVYLNGRT-UHFFFAOYSA-N","400654",NA,"PDBC07913","712915","Present"
-"1,5,2,4-Dioxadithiecane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","NSC372241","","C1CCOS(=O)(=O)CS(=O)(=O)OCC1","VWRZUKFQNHZBOK-UHFFFAOYSA-N","340938",NA,"PDBC07914","372241","Present"
-"1,5,2,4-Dioxadithiepane, 3-methyl-, 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","1,5,2,4-Dioxadithiepane, 3-methyl-, 2,2,4,4-tetraoxide","","CC1S(=O)(=O)OCCOS1(=O)=O","XPMXSCXQTAOMAE-UHFFFAOYSA-N","340936",NA,"PDBC07915","372239","Present"
-"1,5,2,4-Dioxadithiocane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","1,5,2,4-Dioxadithiocane, 2,2,4,4-tetraoxide","","C1COS(=O)(=O)CS(=O)(=O)OC1","APPZESCOGKWYIH-UHFFFAOYSA-N","150523",NA,"PDBC07916","348963","Present"
-"1,5,5-Trimethyl-2,6-dioxabicyclo[2.2.2]octan-3-one","","","","","","","","","","","","","","","","","","","","1,5,5-Trimethyl-2,6-dioxabicyclo[2.2.2]octan-3-one","","CC1(C2CCC(O1)(OC2=O)C)C","STDACQJNAMJPHU-UHFFFAOYSA-N","392712",NA,"PDBC07917","693430","Present"
-"1,5,5-Trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol","","","","","","","","","","","","","","","","","","","","1,5,5-Trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol","","CC1(CC2(CC1CC2(C3=CC=CC=C3)O)C)C","KQZKZBLFKVGKCX-UHFFFAOYSA-N","376009",NA,"PDBC07918","656389","Present"
-"1,5,5-Trimethylbicyclo[2.2.1]heptan-2-ol","","","","","","","","","","","","","","","","","","","","Isofenchol","","CC1(CC2(CC1CC2O)C)C","QNNGNRWQCQDOMF-UHFFFAOYSA-N","379930",NA,"PDBC07919","665122","Present"
-"1,5,5-Trimethylbicyclo[2.2.1]heptane-2-oneoxime","","","","","","","","","","","","","","","","","","","","NSC656393","","CC1(CC2(CC1CC2=NO)C)C","IDTJZQDNQDVVPG-FLIBITNWSA-N","5465598",NA,"PDBC07920","656393","Present"
-"1,5,6,10b-Tetrahydropyrrolo[1,2-c]quinazolin-3(2h)-one","","","","","","","","","","","","","","","","","","","","1,5,6,10b-Tetrahydropyrrolo[1,2-c]quinazolin-3(2h)-one","","C1CC(=O)N2C1C3=CC=CC=C3NC2","AGYFLZSVTXVMIZ-UHFFFAOYSA-N","389194",NA,"PDBC07921","684878","Present"
-"1,5,6,7,11-Pentamethyl-5-azahexacyclo[9.6.6.02,10.04,8.012,17.018,23]tricosa-4(8),6,12,14,16,18,20,22-octaene-3,9-dione","","","","","","","","","","","","","","","","","","","","1,5,6,7,11-Pentamethyl-5-azahexacyclo[9.6.6.02,10.04,8.012,17.018,23]tricosa-4(8),6,12,14,16,18,20,22-octaene-3,9-dione","","CC1=C(N(C2=C1C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C)C)C","QROHZXSMRYXGEJ-UHFFFAOYSA-N","393108",NA,"PDBC07922","694496","Present"
-"1,5,6,9-Pentaazadicylopent[a,b]indene-3,4(2H,5H)-dione,2,5-diphenyl-","","","","","","","","","","","","","","","","","","","","1,2,5,6,9-Pentaazadicylopent[a,b]indene-3,4(2H,5H)-dione...","","C1=CC=C(C=C1)N2C(=O)C34C(=N2)C5=C(C3=NN(C4=O)C6=CC=CC=C6)C=NC=C5","KLNSLIOAJTXPNY-UHFFFAOYSA-N","389479",NA,"PDBC07923","685687","Present"
-"1,5,6-Trimethyl-7-(2-phenylethyl)-1,7-dihydropyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile 4,4-dioxide","","","","","","","","","","","","","","","","","","","","1,5,6-Trimethyl-4,4-dioxo-7-phenethyl-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","CC1=C(N(C2=C1S(=O)(=O)C(=NN2C)C#N)CCC3=CC=CC=C3)C","VFCHZXHXTNVJKS-UHFFFAOYSA-N","394920",NA,"PDBC07924","699020","Present"
-"1,5,8,12-Tetramethyl-15,16-dioxo-15lambda4,16lambda4-dithiapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione","","","","","","","","","","","","","","","","","","","","1,5,8,12-Tetramethyl-15,16-dioxo-15lambda4,16lambda4-dithiapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione","","CC12C=CC(S1=O)(C3C2C(=O)C4C(C3=O)C5(C=CC4(S5=O)C)C)C","JPCINLVTSUBWQA-UHFFFAOYSA-N","394218",NA,"PDBC07925","697505","Present"
-"1,5,9,13,17,21,25,29-Octathiacyclodotriacontane","","","","","","","","","","","","","","","","","","","","1,5,9,13,17,21,25,29-Octathiacyclodotriacontane","","C1CSCCCSCCCSCCCSCCCSCCCSCCCSCCCSC1","PJRFYBCTXBQSTP-UHFFFAOYSA-N","373844",NA,"PDBC07926","650807","Present"
-"1,5,9,13,17-Pentathiacycloeicosane","","","","","","","","","","","","","","","","","","","","1,5,9,13,17-Pentathiacycloeicosane","","C1CSCCCSCCCSCCCSCCCSC1","IHZRZROGHCHTMN-UHFFFAOYSA-N","373845",NA,"PDBC07927","650808","Present"
-"1,5,9,13-Tetramethyl-1,5,9,13-tetrazacyclohexadecane","","","","","","","","","","","","","","","","","","","","1,5,9,13-Tetramethyl-1,5,9,13-tetraazacyclohexadecane","","CN1CCCN(CCCN(CCCN(CCC1)C)C)C","WWONSCWAHMKWLB-UHFFFAOYSA-N","388773",NA,"PDBC07928","683850","Present"
-"1,5,9,14,18,22-Hexakis(trifluoromethylsulfonyl)-1,5,9,14,18,22-hexazacyclohexacosane","","","","","","","","","","","","","","","","","","","","1,5,9,14,18,22-Hexakis(trifluoromethylsulfonyl)-1,5,9,14,18,22-hexazacyclohexacosane","","C1CCN(CCCN(CCCN(CCCCN(CCCN(CCCN(C1)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F","HSZBXSDPYDDSLR-UHFFFAOYSA-N","385579",NA,"PDBC07929","676872","Present"
-"1,5,9-Triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),4,6,9,11,13,15-heptaen-17-one","","","","","","","","","","","","","","","","","","","","Pyrido[4',3':4,5]pyrimido[2,1-a]isoindol-10(12H)-one","","C1C2=C(C=CN=C2)N=C3N1C(=O)C4=CC=CC=C43","KIFUBCRGDIHAKS-UHFFFAOYSA-N","377702",NA,"PDBC07930","659293","Present"
-"1,5,9-Trinitrobishomopentaprismane","","","","","","","","","","","","","","","","","","","","trinitro[?]","","C1C2C3C4C1C5(C2(C6C3C4(C5C6)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","RXCMFTUHBJCCIY-UHFFFAOYSA-N","364427",NA,"PDBC07931","630687","Present"
-"1,5-Bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)anthra-9,10-quinone","","","","","","","","","","","","","","","","","","","","1,5-Bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)anthra-9,10-quinone","","COCCOCCOCCOC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCOC","XSSSVSGXGLTANV-UHFFFAOYSA-N","362910",NA,"PDBC07932","627385","Present"
-"1,5-Bis(2-hydroxy-5-methylphenyl)pentane-1,5-dione","","","","","","","","","","","","","","","","","","","","1,5-Bis(2-hydroxy-5-methylphenyl)pentane-1,5-dione","","CC1=CC(=C(C=C1)O)C(=O)CCCC(=O)C2=C(C=CC(=C2)C)O","QWHXJUHCUIGLPY-UHFFFAOYSA-N","373754",NA,"PDBC07933","650708","Present"
-"1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one","","","","","","","","","","","","","","","","","","","","AI3-08904","","C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]","ZPQURSDVJWZXLQ-FKJILZIQSA-N","6436750",NA,"PDBC07934","3799","Present"
-"1,5-Bis(4-amidinophenoxy)-3-(4-toluenesulphonyl)-3-aza-pentane dihydrochloride","","","","","","","","","","","","","","","","","","","","1,5-bis(4-amidinophenoxy)-3-(4-toluenesulphonyl)-3-aza-p...","","CC1=CC=C(C=C1)S(=O)(=O)N(CCOC2=CC=C(C=C2)C(=NCl)N)CCOC3=CC=C(C=C3)C(=NCl)N","BONDLDMYIKKQGK-UHFFFAOYSA-N","45028721",NA,"PDBC07935","743909","Present"
-"1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo(4,5-b)phenazine","","","","","","","","","","","","","","","","","","","","1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo[4,5-B]phenazine","","CC1(N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2N1C6=CC=C(C=C6)Cl)C","HFSRYMCNSIJDJB-UHFFFAOYSA-N","354039",NA,"PDBC07936","603989","Present"
-"1,5-Bis(4-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1H-1,2,3-triazole","","","","","","","","","","","","","","","","","","","","1,5-Bis(4-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1H-1,2,3-triazole","","C1CN=C(N1)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","XBOZNYDKSZIIMV-UHFFFAOYSA-N","371080",NA,"PDBC07937","645026","Present"
-"1,5-Bis(4-dimethylaminophenyl)-8,10-diazaspiro[5.5]undecane-3,7,9,11-tetrone","","","","","","","","","","","","","","","","","","","","1,5-Bis(4-dimethylaminophenyl)-8,10-diazaspiro[5.5]undecane-3,7,9,11-tetrone","","CN(C)C1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)N(C)C","XUWJVHFJAFWVCG-UHFFFAOYSA-N","394684",NA,"PDBC07938","698287","Present"
-"1,5-Bis(4-methoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","1,5-bis(4-methoxyphenyl)-1H-imidazole","","COC1=CC=C(C=C1)C2=CN=CN2C3=CC=C(C=C3)OC","VWJKTSXAGACLQW-UHFFFAOYSA-N","11265974",NA,"PDBC07939","734603","Present"
-"1,5-Bis(chloromethyl)naphthalene","","","","","","","","","","","","","","","","","","","","Naphthalene, 1,5-bis(chloromethyl)-","","C1=CC(=C2C=CC=C(C2=C1)CCl)CCl","HJTAZXHBEBIQQX-UHFFFAOYSA-N","74424",NA,"PDBC07940","83233","Present"
-"1,5-Bis(o-allyloxyphenyl)-3-cyanoformazane","","","","","","","","","","","","","","","","","","","","1,5-Bis(o-allyloxyphenyl)-3-cyanoformazane","","C=CCOC1=CC=CC=C1NN=C(C#N)N=NC2=CC=CC=C2OCC=C","JLABBJVNZOOAQG-ZGKJGHDSSA-N","5466113",NA,"PDBC07941","676450","Present"
-"1,5-Bis-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-6-methoxy-1H-benzoimidazole","","","","","","","","","","","","","","","","","","","","1,5-bis-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-6-me...","","COC1=CC2=C(C=C1CC3=C(C=CC=C3F)F)N=C(N2CC4=C(C=CC=C4F)F)C5=C(C=CC=C5F)F","DLUPFJWQGVJYND-UHFFFAOYSA-N","404169",NA,"PDBC07942","720321","Present"
-"1,5-Bis-(2-chloro-6-fluoro-benzyl)-2-(2-chloro-6-fluoro-phenyl)-6-methoxy-1H-benzoimidazole","","","","","","","","","","","","","","","","","","","","1,5-bis-(2-chloro-6-fluorobenzyl)-2-(2-chloro-6-fluoro-p...","","COC1=CC2=C(C=C1CC3=C(C=CC=C3Cl)F)N=C(N2CC4=C(C=CC=C4Cl)F)C5=C(C=CC=C5Cl)F","WSUDGTASDDXFHU-UHFFFAOYSA-N","404170",NA,"PDBC07943","720322","Present"
-"1,5-Bis[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,4-dinitrobenzene","","","","","","","","","","","","","","","","","","","","1,5-Bis[(E)-2-(3,4-dichlorophenyl)vinyl]-2,4-dinitro-benzene","","C1=CC(=C(C=C1C=CC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=CC3=CC(=C(C=C3)Cl)Cl)Cl)Cl","YYZPXBXVBQSBDG-IJIVKGSJSA-N","6288112",NA,"PDBC07944","636819","Present"
-"1,5-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,5-pentanedione","","","","","","","","","","","","","","","","","","","","Acetamide, N,N'-[1,5-dioxo-1,5-pentanediyldi[1-(chlorome...","","CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O","WBNASTOCKPVIEC-UHFFFAOYSA-N","400399",NA,"PDBC07945","711945","Present"
-"1,5-Bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","9,10-Anthracenedione, 1,5-bis[[3-[(2-hydroxyethyl)amino]...","","C1=CC2=C(C(=C1)NCCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCCNCCO","ZDFMCUHFIYMYTO-UHFFFAOYSA-N","335352",NA,"PDBC07946","344003","Present"
-"1,5-Bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","Anthracene-9,10-dione, 1,5-bis[3-[[(2-hydroxyethyl)amino...","","C1=CC2=C(C(=C1)NCCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCCNCCO.Cl","UKYDSDKVMRDDSN-UHFFFAOYSA-N","5351330",NA,"PDBC07947","363998","Present"
-"1,5-Bis[4-(N-butylamidino)phenoxy]-3-tiapentane dihydrochloride","","","","","","","","","","","","","","","","","","","","1,5-bis[4-(N-butylamidino)phenoxy]-3-tiapentane dihydroc...","","CCCCN=C(C1=CC=C(C=C1)OCCSCCOC2=CC=C(C=C2)C(=NCCCC)N)N.Cl","WBDRXGMNLULVFR-UHFFFAOYSA-N","54613223",NA,"PDBC07948","750501","Present"
-"1,5-Bis[[3-(diethylaminomethyl)-4-hydroxyphenyl]diazenyl]naphthalene-2,6-diol;hydrochloride","","","","","","","","","","","","","","","","","","","","1,5-Bis[[3-(diethylaminomethyl)-4-hydroxyphenyl]diazenyl]naphthalene-2,6-diol;hydrochloride","","CCN(CC)CC1=C(C=CC(=C1)N=NC2=C(C=CC3=C2C=CC(=C3N=NC4=CC(=C(C=C4)O)CN(CC)CC)O)O)O.Cl","VHSOHIAMEYXOOK-UHFFFAOYSA-N","135488941",NA,"PDBC07949","359463","Present"
-"1,5-Diaminoanthraquinone","","","","","","","","","","","","","","","","","","","","c.i. disperse red ii","","C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)N","VWBVCOPVKXNMMZ-UHFFFAOYSA-N","8513",NA,"PDBC07950","7213","Present"
-"1,5-Dihydro-1H-imidazol-2-yl)phenyl]piperazine, dihydrochloride salt","","","","","","","","","","","","","","","","","","","","1,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperazin...","","C1CN=C(N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C5=NCCN5.Cl","WUWIHPJXJSXSNX-UHFFFAOYSA-N","24203245",NA,"PDBC07951","727339","Present"
-"1,5-Dihydro-2,3,4-benzotrithiepin-2-oxide","","","","","","","","","","","","","","","","","","","","JZSROASPVXWQLK-UHFFFAOYSA-N","","C1C2=CC=CC=C2CS(=O)SS1","JZSROASPVXWQLK-UHFFFAOYSA-N","361198",NA,"PDBC07952","624162","Present"
-"1,5-Dihydro-5-oxo-3-mercapto-7-(2,4-dichlorophenyl)-1,2,4-triazolo[4,3-a]pyrimidine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","1,5-Dihydro-5-oxo-3-mercapto-7-(2,4-dichlorophenyl)-1,2,4-triazolo[4,3-a]pyrimidine-6-carbonitrile","","C1=CC(=C(C=C1Cl)Cl)C2=C(C(=O)N3C(=N2)NNC3=S)C#N","RQTZOLKISVLEHZ-UHFFFAOYSA-N","3005404",NA,"PDBC07953","697891","Present"
-"1,5-Dihydro-[1,2,5]oxadiazino[4,3-c][1,2,5]oxadiazine-3,7-dione","","","","","","","","","","","","","","","","","","","","1,5-Dihydro-[1,2,5]oxadiazino[4,3-c][1,2,5]oxadiazine-3,7-dione","","C12=NOC(=O)N=C1NOC(=O)N2","NCZFFQILBOPIAQ-UHFFFAOYSA-N","389839",NA,"PDBC07954","686471","Present"
-"1,5-Dihydroxy-1,5-dipyridin-3-ylpentan-3-one","","","","","","","","","","","","","","","","","","","","1,5-Dihydroxy-1,5-di(pyridin-3-yl)pentan-3-one","","C1=CC(=CN=C1)C(CC(=O)CC(C2=CN=CC=C2)O)O","OEGFNYOBXKSOKJ-UHFFFAOYSA-N","356571",NA,"PDBC07955","612955","Present"
-"1,5-Dihydroxyanthraquinone","","","","","","","","","","","","","","","","","","","","Anthrarufin","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O","JPICKYUTICNNNJ-UHFFFAOYSA-N","8328",NA,"PDBC07956","7211","Present"
-"1,5-Dimethyl-2-[(E)-1-methyl-2-phenyl-vinyl]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","1,5-Dimethyl-2-[(E)-1-methyl-2-phenyl-vinyl]pyrazol-3-one","","CC1=CC(=O)N(N1C)C(=CC2=CC=CC=C2)C","XLJINAIHKBMISS-FMIVXFBMSA-N","5469829",NA,"PDBC07957","693124","Present"
-"1,5-Dimethyl-2-phenyl-4-(2-phenyl-1,3-oxazol-4-yl)-1,2-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","1,5-Dimethyl-2-phenyl-4-(2-phenyl-1,3-oxazol-4-yl)-1,2-dihydro-3H-pyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=COC(=N3)C4=CC=CC=C4","MCRZLKNJYLNDPX-UHFFFAOYSA-N","373864",NA,"PDBC07958","650827","Present"
-"1,5-Dimethyl-2-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","1,5-Dimethyl-2-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-dihydro-3H-pyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4","RYRSILNKRKLDCH-UHFFFAOYSA-N","374211",NA,"PDBC07959","651701","Present"
-"1,5-Dimethyl-4-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","1,5-Dimethyl-4-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC=CC4=CC=CC=C4)C3=O)C5=CC=CC=C5","ADKYODIILVOQSX-DWPPTZFRSA-N","5472422",NA,"PDBC07960","718657","Present"
-"1,5-Dimethyl-4-[2-(4-nitrophenyl)oxazol-4-yl]-2-phenyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","1,5-Dimethyl-4-[2-(4-nitrophenyl)-1,3-oxazol-4-yl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=COC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]","WCRZHXZHTYGTPT-UHFFFAOYSA-N","373866",NA,"PDBC07961","650829","Present"
-"1,5-Dimethyl-4-[2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2-phenyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","1,5-Dimethyl-4-[2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2-phenyl-pyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]","ZMLCCAFPWXODOB-UHFFFAOYSA-N","373868",NA,"PDBC07962","650831","Present"
-"1,5-Dimethylpyridin-1-ium-3-carbonitrile;iodide","","","","","","","","","","","","","","","","","","","","1,5-Dimethylpyridin-1-ium-3-carbonitrile;iodide","","CC1=CC(=C[N+](=C1)C)C#N.[I-]","ARCGBUGZHBZOMK-UHFFFAOYSA-M","353331",NA,"PDBC07963","601307","Present"
-"1,5-Diol, 1,1-dioxide, trans-","","","","","","","","","","","","","","","","","","","","1,2-Dithiane-4,5-diol, 1,1-dioxide, trans-","","C1C(C(CS(=O)(=O)S1)O)O","HEDDKNPLYXIIDO-SYPWQXSBSA-N","361190",NA,"PDBC07964","624152","Present"
-"1,5-Dioxo-5H-pyrrolo[1,2-a][3,1]benzoxazin-3a(1H)-yl acetate","","","","","","","","","","","","","","","","","","","","1,5-Dioxo-5H-pyrrolo[1,2-a][3,1]benzoxazin-3a(1H)-yl acetate","","CC(=O)OC12C=CC(=O)N1C3=CC=CC=C3C(=O)O2","PEBATMLUABVPGO-UHFFFAOYSA-N","363568",NA,"PDBC07965","628540","Present"
-"1,5-Diphenoxyanthraquinone","","","","","","","","","","","","","","","","","","","","1,5-diphenoxyanthraquinone","","C1=CC=C(C=C1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC5=CC=CC=C5","GSNYYYXHQZHEFP-UHFFFAOYSA-N","6699",NA,"PDBC07966","37627","Present"
-"1,5-Ditert-butyl-2,3-dihydroxy-4-sulfosulfanylbenzene","","","","","","","","","","","","","","","","","","","","1,5-Ditert-butyl-2,3-dihydroxy-4-sulfosulfanyl-benzene","","CC(C)(C)C1=CC(=C(C(=C1O)O)SS(=O)(=O)O)C(C)(C)C","UJTHISUTLHLMDB-UHFFFAOYSA-N","398518",NA,"PDBC07967","708429","Present"
-"1,5-Dithiaspiro[5.11]heptadec-7-ylmethanol","","","","","","","","","","","","","","","","","","","","1,5-Dithiaspiro[5.11]heptadec-7-ylmethanol","","C1CCCCCC2(C(CCCC1)CO)SCCCS2","RGADCAJAGVIHLP-UHFFFAOYSA-N","382564",NA,"PDBC07968","670172","Present"
-"1,5-Dithiaspiro[5.11]heptadec-7-ylmethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","1,5-Dithiaspiro[5.11]heptadec-7-ylmethyl methanesulfonate","","CS(=O)(=O)OCC1CCCCCCCCCCC12SCCCS2","DXACRGBTIMELMI-UHFFFAOYSA-N","380709",NA,"PDBC07969","666415","Present"
-"1,5-Dithiaspiro[5.5]undecan-9-one","","","","","","","","","","","","","","","","","","","","1,5-Dithiaspiro[5.5]undecan-9-one","","C1CSC2(CCC(=O)CC2)SC1","XOGUYODJSCEVLO-UHFFFAOYSA-N","370343",NA,"PDBC07970","643344","Present"
-"1,5-Diyl)dioxy]bis(11as)-2-fluoro-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one","","","","","","","","","","","","","","","","","","","","1, 1'[Pentane-1,5-diyl)dioxy]bis(11as)-2-fluoro-7-methox...","","COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)F)OCCCCCOC4=C(C=C5C(=C4)N=CC6CC(CN6C5=O)F)OC","SNIOWECMHONVCJ-JSRAGOMMSA-N","24203387",NA,"PDBC07971","727729","Present"
-"1,5-Ethano-2H-1,5-benzodiazepin-3(4H)-one, (2,4-dinitrophenyl)hydrazone","","","","","","","","","","","","","","","","","","","","1,5-Ethano-2H-1,5-benzodiazepin-3(4H)-one, (2,4-dinitrophenyl)hydrazone","","C1CN2CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CN1C4=CC=CC=C42","WOOWYQDBGKSNNC-UHFFFAOYSA-N","377511",NA,"PDBC07972","658997","Present"
-"1,5-Triazin-4-one, 4,5-dihydro-2-amino-5-beta-D-arabinofuranosyl-, 5'-monophosphate ester, monolithium salt","","","","","","","","","","","","","","","","","","","","1,3,5-Triazin-4-one, 4,5-dihydro-2-amino- 5-.beta.-D-ara...","","[Li+].C1=NC(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N","MWNCUVYOGYVKEO-UHFFFAOYSA-N","54608722",NA,"PDBC07973","619378","Present"
-"1,5-Tribornyl-2H,4H,6H-triazin-2,4,6-trione","","","","","","","","","","","","","","","","","","","","1,3,5-Tribornyl-2H,4H,6H-triazin-2,4,6-trione","","CC1(C2CCC1(C(C2)N3C(=O)N(C(=O)N(C3=O)C4CC5CCC4(C5(C)C)C)C6CC7CCC6(C7(C)C)C)C)C","DQBWHZPWGKCZNX-DGRTZWDVSA-N","400863",NA,"PDBC07974","713537","Present"
-"1,5-a]Indolium trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","1,7-Dimethyl-4-(4-dimethylaminobenzyliden)-4H-pyrazolo[1...","","CC1=CC2=C(C=C1)C(=CC3=CC=C(C=C3)N(C)C)C4=CC(=[N+](N42)C)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","FCBDAWQXMGEGFO-UHFFFAOYSA-M","24202845",NA,"PDBC07975","726087","Present"
-"1,5-bis(4-amidinophenoxy)-3-oxapentane dihydrochloride","","","","","","","","","","","","","","","","","","","","1,5-bis(4-amidinophenoxy)-3-oxapentane dihydrochloride","","C1=CC(=CC=C1C(=N)N)OCCOCCOC2=CC=C(C=C2)C(=N)N.Cl","UFNJMEIGXONYEV-UHFFFAOYSA-N","24205052",NA,"PDBC07976","734102","Present"
-"1,5-c]Pyrrole-5-carboxylic acid, tetrahydro-2,2-dimethyl-4-[[4-(1,1-dimethylethoxy)-2-[(2-propenoxy)carbonyl]-1-pyrrolidinyl]carbonyl]-,[(9H-fluoren-9-yl)methyl] ester","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-c]pyrrole-5-carboxylic acid, tetrahydro-...","","CC1(OC2CN(C(C2O1)C(=O)N3CC(CC3C(=O)OCC=C)OC(C)(C)C)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C","CZCKXAZMAHKTKM-JNYCSLRCSA-N","400903",NA,"PDBC07977","713587","Present"
-"1,5-cis-Verknupften","","","","","","","","","","","","","","","","","","","","1,5-Cis-verknupften (German)","","CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-SJXGUFTOSA-N","378378",NA,"PDBC07978","660677","Present"
-"1,5-g]Quinolin-8(5H)-thione, 6-[3-(dimethylamino)phenyl]-","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8(5H)-thione, 6-[3-(dimethyla...","","CN(C)C1=CC=CC(=C1)C2=CC(=S)C3=CC4=C(C=C3N2)OCO4","JLLTZPCYQCHFNV-UHFFFAOYSA-N","5168079",NA,"PDBC07979","700270","Present"
-"1,5-g]Quinolin-8-amine, N-1,3-benzodioxol-5-yl-6-methyl-","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8-amine, N-1,3-benzodioxol-5-...","","CC1=CC(=C2C=C3C(=CC2=N1)OCO3)NC4=CC5=C(C=C4)OCO5","LCBPJTNEHPZLSA-UHFFFAOYSA-N","332900",NA,"PDBC07980","332421","Present"
-"1,5-g]Quinoline-5-carboxylic acid, 6-(2-fluorophenyl)-5,8-dihydro-8-oxo-, 1,1-dimethylethyl ester","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinoline-5-carboxylic acid, 6-(2-fluo...","","CC(C)(C)OC(=O)N1C2=CC3=C(C=C2C(=O)C=C1C4=CC=CC=C4F)OCO3","UJPVNVLPJKZMFZ-UHFFFAOYSA-N","396059",NA,"PDBC07981","701389","Present"
-"1,6,11,16-Tetraoxadispiro[6.2.6^{10}.2^{7}]octadecane","","","","","","","","","","","","","","","","","","","","1,6,11,16-Tetraoxadispiro[6.2.6^{10}.2^{7}]octadecane","","C1CCOC2(CCC3(CC2)OCCCCO3)OC1","JBDQISKGZOIXSP-UHFFFAOYSA-N","362204",NA,"PDBC07982","625803","Present"
-"1,6,11,16-Tetrathiacycloicosane","","","","","","","","","","","","","","","","","","","","1,6,11,16-Tetrathiacycloicosane","","C1CCSCCCCSCCCCSCCCCSC1","ORSVEXHROYPMJO-UHFFFAOYSA-N","373839",NA,"PDBC07983","650802","Present"
-"1,6,6-Trimethylcyclohex-1-en-1-yl)-1(E)-heptadiene-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-bis-(2,6,6-trimethylcyclohex-1-en-1-yl)-1(E)-heptadi...","","CC1=C(C(CCC1)(C)C)C=CC(=O)CC(=O)C=CC2=C(CCCC2(C)C)C","MHTFRRWVRDWQPA-PHEQNACWSA-N","45028209",NA,"PDBC07984","741745","Present"
-"1,6,7,10-Tetrakis(bromomethyl)fluoranthene","","","","","","","","","","","","","","","","","","","","1,6,7,10-Tetrakis(bromomethyl)fluoranthene","","C1=CC(=C2C3=C1C=CC(=C3C4=C(C=CC(=C24)CBr)CBr)CBr)CBr","PVKVEHGRZZEVOC-UHFFFAOYSA-N","393211",NA,"PDBC07985","694699","Present"
-"1,6,8,12-Tetraene","","","","","","","","","","","","","","","","","","","","1,4-Dimethyl-14-oxa-3-dioxothia-tetracyclo[9.2.1.0.0]tet...","","CC12C=CC(O1)(C3C2C4=CC=CC=C4S3(=O)=O)C","XZRBGZRKIRQECA-UHFFFAOYSA-N","45028036",NA,"PDBC07986","740814","Present"
-"1,6-Bis(1-propylcyclohexyl)-1H-indolo[5,4,3-def]isoquinoline-2,5,7(6H)-trione","","","","","","","","","","","","","","","","","","","","6,12-Bis(1-propylcyclohexyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione","","CCCC1(CCCCC1)N2C3=CC=C4C5=C(C=CC(=C35)C2=O)C(=O)N(C4=O)C6(CCCCC6)CCC","BVQOZWYZJKCBLA-UHFFFAOYSA-N","392637",NA,"PDBC07987","693217","Present"
-"1,6-Bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)hexane-1,6-dione","","","","","","","","","","","","","","","","","","","","1,6-Bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)hexane-1,6-dione","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)CCCCC(=O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=CC=C6O)C=CC=C3O","PQGZSMNCTYYXMQ-UHFFFAOYSA-N","369405",NA,"PDBC07988","641175","Present"
-"1,6-Bis(dimethylamino)-3,4-diphenyl-hexane-3,4-diol","","","","","","","","","","","","","","","","","","","","1,6-Bis(dimethylamino)-3,4-diphenyl-hexane-3,4-diol","","CN(C)CCC(C1=CC=CC=C1)(C(CCN(C)C)(C2=CC=CC=C2)O)O","HYNGDQGXSYCJPT-UHFFFAOYSA-N","371218",NA,"PDBC07989","645267","Present"
-"1,6-Bis-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-5-methoxy-1H-benzoimidazole","","","","","","","","","","","","","","","","","","","","1,6-bis-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-5-me...","","COC1=CC2=C(C=C1CC3=C(C=CC=C3F)F)N(C(=N2)C4=C(C=CC=C4F)F)CC5=C(C=CC=C5F)F","AUCNWWZUMUMPNC-UHFFFAOYSA-N","404168",NA,"PDBC07990","720320","Present"
-"1,6-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,6-hexanedione","","","","","","","","","","","","","","","","","","","","N-[3-[6-[7-Acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexanoyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-7-yl]acetamide","","CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O","RXTOYKYVEKOFCF-UHFFFAOYSA-N","400400",NA,"PDBC07991","711946","Present"
-"1,6-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]diamantane","","","","","","","","","","","","","","","","","","","","1,6-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]diamantane","","C1C2CC3C4CC5CC(C1C3(C5)C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O)C4(C2)C8=CC=C(C=C8)OC9=CC(=C(C=C9)N)O","BSMHNENFPARJJF-UHFFFAOYSA-N","397906",NA,"PDBC07992","706831","Present"
-"1,6-Bis[4-(4-aminophenoxy)phenyl]diamantane","","","","","","","","","","","","","","","","","","","","1,6-Bis[4-(4-aminophenoxy)phenyl]diamantane","","C1C2CC3C4CC5CC(C1C3(C5)C6=CC=C(C=C6)OC7=CC=C(C=C7)N)C4(C2)C8=CC=C(C=C8)OC9=CC=C(C=C9)N","ICZJKWFNSLWHTA-UHFFFAOYSA-N","397904",NA,"PDBC07993","706829","Present"
-"1,6-Cyclodecanedione dioxime","","","","","","","","","","","","","","","","","","","","1,6-Cyclodecanedione dioxime","","C1CCC(=NO)CCCCC(=NO)C1","FAAQAPSKAZPOPL-UHFFFAOYSA-N","391644",NA,"PDBC07994","691130","Present"
-"1,6-Diallyl-3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione","","","","","","","","","","","","","","","","","","","","1,6-Diallyl-3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione","","CC12CC(=O)C(C1(C(C(=O)C2)CC=C)C)CC=C","RJZMMPOEPPYYEM-UHFFFAOYSA-N","363105",NA,"PDBC07995","627675","Present"
-"1,6-Diaminodiamantane","","","","","","","","","","","","","","","","","","","","1,6-Diaminodiamantane","","C1C2CC3C4CC5CC(C1C3(C5)N)C4(C2)N","WMBTVDOFORJFEB-UHFFFAOYSA-N","397911",NA,"PDBC07996","706836","Present"
-"1,6-Dianhydro-5-O-(2,2-dimethyl propanoyl)-D-glucitol","","","","","","","","","","","","","","","","","","","","1,4:3,6-dianhydro-5-O-(2,2-dimethyl propanoyl)- D-glucitol","","CC(C)(C)C(=O)OC1COC2C1OCC2O","CHIWEWKYIIQJRZ-LDIRUYLGSA-N","365588",NA,"PDBC07997","633387","Present"
-"1,6-Dichloro-N-(2-chloroethyl)-2-hexanamine hydrochloride","","","","","","","","","","","","","","","","","","","","2-Hexanamine, 1,6-dichloro-N-(2-chloroethyl)-, hydrochlo...","","C(CCCl)CC(CCl)NCCCl.Cl","DXCXJLVTBSMKBG-UHFFFAOYSA-N","152523",NA,"PDBC07998","9713","Present"
-"1,6-Dichlorobenzoyl)-3-(3-hydroxy-2-naphthyl)-4-ethyl-5H-1,2,4-triazoline-5-thione","","","","","","","","","","","","","","","","","","","","1,4-Dihydro-1-(2,6-dichlorobenzoyl)-3-(3-hydroxy-2-napht...","","CCN1C(=NN(C1=S)C(=O)C2=C(C=CC=C2Cl)Cl)C3=CC4=CC=CC=C4C=C3O","YVQZVMQDDVXLOH-UHFFFAOYSA-N","135545200",NA,"PDBC07999","729057","Present"
-"1,6-Dihydro-11H-indazolo[6,7-b][1,8]naphthyridin-11-one","","","","","","","","","","","","","","","","","","","","1,6-Dihydro-11H-indazolo[6,7-b][1,8]naphthyridin-11-one","","C1=CC2=C(N=C1)N=C3C=CC4=CNNC4=C3C2=O","DJRPSVDNUTXMHY-UHFFFAOYSA-N","378710",NA,"PDBC08000","661815","Present"
-"1,6-Dihydro]methyl piperazine","","","","","","","","","","","","","","","","","","","","1,4-di[2-amino-4(2-hydroxy-5-chlorophenyl)-6-phenyl-5,6-...","","C1CN(CCN1CN=C2NC(CC(=N2)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4)CN=C5NC(CC(=N5)C6=C(C=CC(=C6)Cl)O)C7=CC=CC=C7","UZOMFRBVMGNAOS-UHFFFAOYSA-N","135426719",NA,"PDBC08001","711120","Present"
-"1,6-Dihydrotriazolo[4,5-f]quinolin-9-one","","","","","","","","","","","","","","","","","","","","1,6-Dihydrotriazolo[4,5-f]quinolin-9-one","","C1=CC2=NNNC2=C3C1=NC=CC3=O","GPZNSCCICORVMI-UHFFFAOYSA-N","438284",NA,"PDBC08002","630727","Present"
-"1,6-Dihydroxy-1,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydroindeno[4,5-g]isobenzofuran-3-one","","","","","","","","","","","","","","","","","","","","1,6-Dihydroxy-1,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydroindeno[4,5-g]isobenzofuran-3-one","","CC12CCC3C(C1CCC2O)CCC4=C3C(=O)OC4(C)O","VPLCSAFVXNMYMZ-UHFFFAOYSA-N","386104",NA,"PDBC08003","677736","Present"
-"1,6-Dimethyl-2,3-dibromo[1]benzopyrano[2,3-b]pyrrol-4(1H)-one","","","","","","","","","","","","","","","","","","","","2,3-Dibromo-1,6-dimethyl-chromeno[2,3-b]pyrrol-4-one","","CC1=CC2=C(C=C1)OC3=C(C2=O)C(=C(N3C)Br)Br","VKKMFHCERMRURA-UHFFFAOYSA-N","398025",NA,"PDBC08004","707098","Present"
-"1,6-Dimethyl-2-phenyl-4,7-dioxo-4,7-dihydro-1H-indole-3-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 1,6-dimethyl-4,7-dioxo-2-phenyl-4,7-dihydro-1h-indole-3-carboxylate","","CCOC(=O)C1=C(N(C2=C1C(=O)C=C(C2=O)C)C)C3=CC=CC=C3","SOZLPEQZIFICGF-UHFFFAOYSA-N","403520",NA,"PDBC08005","718530","Present"
-"1,6-Dimethyl-7-(phenylthio)bicyclo[4.1.0]heptane","","","","","","","","","","","","","","","","","","","","1,6-Dimethyl-7-(phenylthio)bicyclo[4.1.0]heptane","","CC12CCCCC1(C2SC3=CC=CC=C3)C","WJEVWMKMCDDIPG-UHFFFAOYSA-N","361794",NA,"PDBC08006","625066","Present"
-"1,6-Dimethyl-8H-pteridine-2,4,7-trione; pyridine","","","","","","","","","","","","","","","","","","","","1,6-Dimethyl-8H-pteridine-2,4,7-trione; pyridine","","CC1=NC2=C(NC1=O)N(C(=O)NC2=O)C.C1=CC=NC=C1","QAFAXHHFZBQHIK-UHFFFAOYSA-N","373960",NA,"PDBC08007","650992","Present"
-"1,6-Dimethyl-phenothiazone","","","","","","","","","","","","","","","","","","","","1,6-Dimethyl-phenothiazone","","CC1=C2C(=CC=C1)N=C3C(=CC(=O)C=C3S2)C","LWCNALZIZXCTFM-UHFFFAOYSA-N","369388",NA,"PDBC08008","641152","Present"
-"1,6-Dimethylpyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidine-4(1H)-thione","","","","","","","","","","","","","","","","","","","","1,6-Dimethylpyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidine-4(1H)-thione","","CC1=CSC2=NC3=C(C=NN3C)C(=S)N12","ZQUUVSRWNBLTCP-UHFFFAOYSA-N","382393",NA,"PDBC08009","669951","Present"
-"1,6-Dimetoxyphenoxy]-3-oxapentane","","","","","","","","","","","","","","","","","","","","1,5-bis[4-cyano-2,6-dimetoxyphenoxy]-3-oxapentane","","COC1=CC(=CC(=C1OCCOCCOC2=C(C=C(C=C2OC)C#N)OC)OC)C#N","QXBMPVBLQGJKNG-UHFFFAOYSA-N","24206089",NA,"PDBC08010","740026","Present"
-"1,6-Heptadien-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-bis(4-(adamantylaminopropionyloxy)-3-methoxyphenyl)-...","","COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CCNC34CC5CC(C3)CC(C5)C4)OC)OC(=O)CCNC67CC8CC(C6)CC(C8)C7","KBUQBEMVFXNYAX-FCXRPNKRSA-N","45028274",NA,"PDBC08011","742028","Present"
-"1,6-Hexanediamine, N1,N6-bis(7-dimethylamino-2-methyl-4-quinolinyl)-","","","","","","","","","","","","","","","","","","","","4,7-Quinolinediamine, N(4),N(4')-1,6-hexanediylbis(N(7),...","","CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N(C)C","WIPLXGQXVUIAAM-UHFFFAOYSA-N","329576",NA,"PDBC08012","313157","Present"
-"1,6-Tribromo-2,7-dichloro-3-(chloromethyl)-7-methyl-1-octane","","","","","","","","","","","","","","","","","","","","1,3,6-tribromo-2,7-dichloro-3-(chloromethyl)-7-methyl-1-...","","CC(C)(C(CCC(CCl)(C(CBr)Cl)Br)Br)Cl","WABYMNUXOPLVSB-UHFFFAOYSA-N","379050",NA,"PDBC08013","662820","Present"
-"1,6-Tribromo-3,7-dichloro-3,7-dimethyloctane","","","","","","","","","","","","","","","","","","","","1,2,6-Tribromo-3,7-dichloro-3,7-dimethyloctane","","CC(C)(C(CCC(C)(C(CBr)Br)Cl)Br)Cl","XFBFFDLDUMHHMB-UHFFFAOYSA-N","377931",NA,"PDBC08014","659555","Present"
-"1,7,10-Tetraazacyclododecane-1,7-bis(methanephosphonicacid)","","","","","","","","","","","","","","","","","","","","Phosphonic acid, [1,4,7,10-tetraazacyclododecane-1,7-diy...","","C1CN(CCNCCN(CCN1)CP(=O)(O)O)CP(=O)(O)O.Cl","BOKPZPYHQOATLR-UHFFFAOYSA-N","387350",NA,"PDBC08015","681104","Present"
-"1,7,11,17-Tetraoxa-2,6,12,16-tetrazacycloicosane;hydrobromide","","","","","","","","","","","","","","","","","","","","1,7,11,17-Tetraoxa-2,6,12,16-tetrazacycloicosane hydrobromide","","C1CNOCCCONCCCNOCCCONC1.Br","STWCXMVYEURJIQ-UHFFFAOYSA-N","397947",NA,"PDBC08016","707025","Present"
-"1,7,7-Trimethyl-3-(2-pyridinylamino)bicyclo[2.2.1]heptan-2-one","","","","","","","","","","","","","","","","","","","","1,7,7-Trimethyl-3-(2-pyridinylamino)bicyclo[2.2.1]heptan-2-one","","CC1(C2CCC1(C(=O)C2NC3=CC=CC=N3)C)C","AJUNTFPBSOPTHR-UHFFFAOYSA-N","386479",NA,"PDBC08017","678507","Present"
-"1,7,7-Trimethyl-N-[(1E)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]bicyclo[2.2.1]heptan-2-amine","","","","","","","","","","","","","","","","","","","","1,7,7-Trimethyl-N-[(1E)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]bicyclo[2.2.1]heptan-2-amine","","CC1(C2CCC1(C(C2)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC3=CC=CC=C3)C)C","JGKMTKAHYUUINM-FBMGVBCBSA-N","5470191",NA,"PDBC08018","698366","Present"
-"1,7,8,9-Tetrachloro-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene","","","","","","","","","","","","","","","","","","","","1,7,8,9-Tetrachloro-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene","","COC1(C2(C3COCC3C1(C(=C2Cl)Cl)Cl)Cl)OC","YWMSFCQNFGCGRQ-UHFFFAOYSA-N","384297",NA,"PDBC08019","673914","Present"
-"1,7,8-Tetramethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride","","","","","","","","","","","","","","","","","","","","1,4,7,8-Tetramethoxy-11H-indeno[1,2-c]isoquinoline Hydry...","","COC1=C2C=NC3=C(C2=C(C=C1)OC)CC4=CC(=C(C=C43)OC)OC.Cl","TZEGISFYFXKRCN-UHFFFAOYSA-N","11749136",NA,"PDBC08020","730926","Present"
-"1,7,9,11,16-Pentazatricyclo[8.6.0.03,8]hexadeca-3(8),4,6,9-tetraene-2,12-dione","","","","","","","","","","","","","","","","","","","","1,7,9,11,16-Pentazatricyclo[8.6.0.03,8]hexadeca-3(8),4,6,9-tetraene-2,12-dione","","C1CC(=O)NC2=NC3=C(C=CC=N3)C(=O)N2NC1","IXWUUVRXGVEUSH-UHFFFAOYSA-N","388461",NA,"PDBC08021","683391","Present"
-"1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione","","C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC(=O)C=CC3=CC4=C(C=C3)OCO4","RAKTYHYXXBELPJ-IJIVKGSJSA-N","5927776",NA,"PDBC08022","666298","Present"
-"1,7-Bis(2-hydroxyphenyl)-1,6-heptadiene-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-Bis(2-hydroxyphenyl)-1,6-heptadiene-3,5-dione","","C1=CC=C(C(=C1)C=CC(=O)CC(=O)C=CC2=CC=CC=C2O)O","DXORQEWMXKLOAN-WGDLNXRISA-N","5825618",NA,"PDBC08023","666295","Present"
-"1,7-Bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane","","","","","","","","","","","","","","","","","","","","1,7-Bis(2-oxo-2-piperidin-1-ylethyl)-1,4,7,10-tetraazacyclododecane","","C1CCN(CC1)C(=O)CN2CCNCCN(CCNCC2)CC(=O)N3CCCCC3","QYURTXOCHABJSH-UHFFFAOYSA-N","393890",NA,"PDBC08024","696850","Present"
-"1,7-Bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)heptane-1,7-dione","","","","","","","","","","","","","","","","","","","","1,7-Bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)heptane-1,7-dione","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)CCCCCC(=O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=CC=C6O)C=CC=C3O","HMAWAKRPJNEOSD-UHFFFAOYSA-N","369406",NA,"PDBC08025","641176","Present"
-"1,7-Bis(4-hydroxy-3-(hydroxy(oxido)amino)phenyl)-1,6-heptadiene-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-Bis(4-hydroxy-3-(hydroxy(oxido)amino)phenyl)-1,6-heptadiene-3,5-dione","","C1=CC(=C(C=C1C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O","TVIZIMUYJIMFKN-IJIVKGSJSA-N","5470823",NA,"PDBC08026","705587","Present"
-"1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane","","","","","","","","","","","","","","","","","","","","AM84547","","CC(C)(C)OC(=O)CN1CCNCCN(CCNCC1)CC(=O)OC(C)(C)C","OERWIIJOLSXGAQ-UHFFFAOYSA-N","393881",NA,"PDBC08027","696842","Present"
-"1,7-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,7-heptanedione","","","","","","","","","","","","","","","","","","","","N-[3-[7-[7-Acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-7-oxoheptanoyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-7-yl]acetamide","","CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O","DNHUTNVBMVSVOB-UHFFFAOYSA-N","400401",NA,"PDBC08028","711947","Present"
-"1,7-Di(2-furyl)-1,6-heptadiene-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-Di(2-furyl)-1,6-heptadiene-3,5-dione","","C1=COC(=C1)C=CC(=O)CC(=O)C=CC2=CC=CO2","VVSPMCDLBJTCII-KQQUZDAGSA-N","5801551",NA,"PDBC08029","666294","Present"
-"1,7-Dichloro-2,6-bis(chloro(difluoro)methyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-4-heptanone hydrazone","","","","","","","","","","","","","","","","","","","","1,7-Dichloro-2,6-bis(chloro(difluoro)methyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-4-heptanone hydrazone","","C(C(=NN)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","YAYYECXATLOVKC-UHFFFAOYSA-N","377630",NA,"PDBC08030","659209","Present"
-"1,7-Dichloro-2,6-bis(chloro(difluoro)methyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-4-heptanone phenylhydrazone","","","","","","","","","","","","","","","","","","","","1,7-Dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-4-(phenylhydrazono)heptane-2,6-diol","","C1=CC=C(C=C1)NN=C(CC(C(F)(F)Cl)(C(F)(F)Cl)O)CC(C(F)(F)Cl)(C(F)(F)Cl)O","YGJBAUZJHAEPOR-UHFFFAOYSA-N","377604",NA,"PDBC08031","659181","Present"
-"1,7-Dichloro-3-(4-methyloxycarbonyl)p henyl quinoxaline","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-cyano-6,7-dichloro-3-(4-methyloxycarbon...","","COC(=O)C1=CC=C(C=C1)C2=C([N+](=O)C3=CC(=C(C=C3N2[O-])Cl)Cl)C#N","AEVGAMRENPQRCY-UHFFFAOYSA-N","11509356",NA,"PDBC08032","726185","Present"
-"1,7-Dichloro-9H-thioxanthen-9-one","","","","","","","","","","","","","","","","","","","","1,7-Dichloro-9H-thioxanthen-9-one","","C1=CC2=C(C(=C1)Cl)C(=O)C3=C(S2)C=CC(=C3)Cl","QTBGFMSSFSMNNB-UHFFFAOYSA-N","365004",NA,"PDBC08033","631915","Present"
-"1,7-Difluor-2-phenylcarbonyl-3-trifluormethyl quinoxaline","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-6,7-difluor-2-phenylcarbonyl-3-trifluorme...","","C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)F)[O-])C(F)(F)F","HSJQAFINUTWIMP-UHFFFAOYSA-N","406024",NA,"PDBC08034","723906","Present"
-"1,7-Difluoro-2-ethylcarbonyl-3-trifluoromethy lquinoxaline","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-6,7-difluoro-2-ethylcarbonyl-3-trifluorom...","","CCC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)F)[O-])C(F)(F)F","HULPUJYAFUJPGV-UHFFFAOYSA-N","406607",NA,"PDBC08035","724827","Present"
-"1,7-Difluoro-3-(4-methyl)phenylquinox aline","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-cyano-6,7-difluoro-3-(4-methyl)phenylqu...","","CC1=CC=C(C=C1)C2=C([N+](=O)C3=CC(=C(C=C3N2[O-])F)F)C#N","LGEONMJCMKTLMZ-UHFFFAOYSA-N","11702372",NA,"PDBC08036","726184","Present"
-"1,7-Difluoro-3-trifluorome thylquinoxaline","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-isoprpylcarbonyl-6,7-difluoro-3-trifluo...","","CC(C)C(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)F)[O-])C(F)(F)F","HLKMVZQQFSBYIO-UHFFFAOYSA-N","24203026",NA,"PDBC08037","726543","Present"
-"1,7-Dihydro-4,1,7-benzothiadiazonine-2,6-dione","","","","","","","","","","","","","","","","","","","","1,7-Dihydro-4,1,7-benzothiadiazonine-2,6(3H,5H)-dione","","C1C(=O)NC2=CC=CC=C2NC(=O)CS1","QXWVLUFPWNXPQD-UHFFFAOYSA-N","382460",NA,"PDBC08038","670027","Present"
-"1,7-Diiminopyrrolo[3,4-f]isoindole-3,5-diamine","","","","","","","","","","","","","","","","","","","","Benzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-tetraimine","","C1=C2C(=CC3=C1C(=NC3=N)N)C(=N)N=C2N","RRAPLYNIIXTZEZ-UHFFFAOYSA-N","359178",NA,"PDBC08039","619860","Present"
-"1,7-Dimethyl-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-one","","","","","","","","","","","","","","","","","","","","1,7-Dimethyl-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-one","","CC1=CC(=O)NCCN1C","DXDORNJSYRUOKD-UHFFFAOYSA-N","371092",NA,"PDBC08040","645038","Present"
-"1,7-Dimethyl-4,10-ethano-1,4,7,10-tetraazacyclododecane","","","","","","","","","","","","","","","","","","","","1,7-Dimethyl-4,10-ethano-1,4,7,10-tetraazacyclododecane","","CN1CCN2CCN(CCN(CC1)CC2)C","FFQWAXLMZUGNEC-UHFFFAOYSA-N","398646",NA,"PDBC08041","708805","Present"
-"1,7-Dimethyl-5-phenyl-[1,3]oxazolo[5,4-b]pyridin-2-one","","","","","","","","","","","","","","","","","","","","1,7-Dimethyl-5-phenyl-oxazolo[5,4-b]pyridin-2-one","","CC1=CC(=NC2=C1N(C(=O)O2)C)C3=CC=CC=C3","OQKKOCDIZXTNSU-UHFFFAOYSA-N","397736",NA,"PDBC08042","706159","Present"
-"1,7-Dimethyl-phenothiazone","","","","","","","","","","","","","","","","","","","","1,7-Dimethyl-phenothiazone","","CC1=CC2=C(C=C1)N=C3C(=CC(=O)C=C3S2)C","LZXKNTFKEPYPDR-UHFFFAOYSA-N","369389",NA,"PDBC08043","641153","Present"
-"1,7-Dimethylchromeno[2,3-b]pyridine-2,5-dione","","","","","","","","","","","","","","","","","","","","1,7-Dimethylchromeno[2,3-b]pyridine-2,5-dione","","CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=O)N3C","FFXXUSNVUCLMSL-UHFFFAOYSA-N","355945",NA,"PDBC08044","610780","Present"
-"1,7-Diphenyl-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]dipyrazolo[3,4-b:4',3'-e]pyridine","","","","","","","","","","","","","","","","","","","","6,10-Dimethyl-4,12-diphenyl-8-[4-(trifluoromethyl)phenyl]-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene","","CC1=NN(C2=NC3=C(C(=NN3C4=CC=CC=C4)C)C(=C12)C5=CC=C(C=C5)C(F)(F)F)C6=CC=CC=C6","CVYQKPIIGFCRAM-UHFFFAOYSA-N","396452",NA,"PDBC08045","702425","Present"
-"1,7-Ditosyl-1,4,7,10-tetraazacyclododecane","","","","","","","","","","","","","","","","","","","","1,7-Ditosyl-1,4,7,10-tetraazacyclododecane","","CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C","OOWITPYJNRDUQG-UHFFFAOYSA-N","387339",NA,"PDBC08046","681083","Present"
-"1,7-Heptadien-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-bis(6-methoxybenzothizol-2-yl)aminoacetyloxy)-3-etho...","","CCOC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CNC3=NC4=C(S3)C=C(C=C4)OC)OCC)OC(=O)CNC5=NC6=C(S5)C=C(C=C6)OC","UZQUMGCJPDWZDM-MKICQXMISA-N","45028272",NA,"PDBC08047","742026","Present"
-"1,7-Heptanediamine, N-(6-methoxy-4-methyl-8-quinolinyl)-N'-(1-methylethyl)-, phosphate (1:1)","","","","","","","","","","","","","","","","","","","","1,7-Heptanediamine, N-(6-methoxy-4-methyl-8-quinolinyl)-...","","CC1=C2C=C(C=C(C2=NC=C1)NCCCCCCCNC(C)C)OC.OP(=O)(O)O","CNFKXPGCBNVWJH-UHFFFAOYSA-N","328164",NA,"PDBC08048","305842","Present"
-"1,7-Phenanthroline-3-carboxylic acid, 4-ethoxy-, ethyl ester","","","","","","","","","","","","","","","","","","","","1,7-Phenanthroline-3-carboxylic acid, 4-ethoxy-, ethyl ester","","CCOC1=C2C=CC3=C(C2=NC=C1C(=O)OCC)C=CC=N3","LPIWHZUXJFWRMS-UHFFFAOYSA-N","367729",NA,"PDBC08049","637666","Present"
-"1,8,10-Trihydroxy-10-(1-phenylprop-2-enyl)anthracen-9-one","","","","","","","","","","","","","","","","","","","","1,8,10-Trihydroxy-10-(1-phenylprop-2-en-1-yl)anthracen-9(10h)-one","","C=CC(C1=CC=CC=C1)C2(C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O)O","OQOLQTJRBOLEFT-UHFFFAOYSA-N","400655",NA,"PDBC08050","712916","Present"
-"1,8,10-Trihydroxy-10-allylanthracene-9(10H)-one","","","","","","","","","","","","","","","","","","","","1,8,10-Trihydroxy-10-allylanthracene-9(10H)-one","","C=CCC1(C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O)O","HJNIOICALXFOQB-UHFFFAOYSA-N","400652",NA,"PDBC08051","712913","Present"
-"1,8,9,9a-Tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one","","","","","","","","","","","","","","","","","","","","1,8,9,9a-Tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one","","C1CC2=C3C(=CC=C2)OC4=C3C1CCC4=O","RYMIWDUWKDQNBA-UHFFFAOYSA-N","361597",NA,"PDBC08052","624778","Present"
-"1,8-Benzodiazecine-2,7-dione, 1,3,4,5,6,8-hexahydro-","","","","","","","","","","","","","","","","","","","","1,3,4,5,6,8-Hexahydro-1,8-benzodiazecine-2,7-dione","","C1CCC(=O)NC2=CC=CC=C2NC(=O)C1","YPRVRPCUJBONPS-UHFFFAOYSA-N","382462",NA,"PDBC08053","670029","Present"
-"1,8-Bis(p-dimethylaminobenzyl)benzocyclohepten-7-one","","","","","","","","","","","","","","","","","","","","1,4-Dimethoxy-6,8-bis(p-dimethylaminobenzyl)benzocyclohe...","","CN(C)C1=CC=C(C=C1)CC2=CC3=C(C=CC(=C3C=C(C2=O)CC4=CC=C(C=C4)N(C)C)OC)OC","JCKGIYYVOHZAGT-UHFFFAOYSA-N","391589",NA,"PDBC08054","691044","Present"
-"1,8-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,8-octanedione","","","","","","","","","","","","","","","","","","","","Acetamide, N,N'-[1,8-dioxo-1,8-octanediyldi[1-(chloromet...","","CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O","WLPCNVCCIRKXNR-UHFFFAOYSA-N","400402",NA,"PDBC08055","711948","Present"
-"1,8-Bis[2-(2-hydroxybenzylideneamino)ethylamino]-9,10-anthraquinone","","","","","","","","","","","","","","","","","","","","1,8-Bis[2-(2-hydroxybenzylideneamino)ethylamino]-9,10-anthraquinone","","C1=CC=C(C(=C1)C=NCCNC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NCCN=CC5=CC=CC=C5O)O","USWSPLQZEDRNJQ-UHFFFAOYSA-N","135958488",NA,"PDBC08056","745501","Present"
-"1,8-Bis[2-[(2,5-dihydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1,8-Bis[2-[(2,5-dihydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione","","C1=CC2=C(C(=C1)NCCN=CC3=C(C=CC(=C3)O)O)C(=O)C4=C(C2=O)C=CC=C4NCCN=CC5=C(C=CC(=C5)O)O","FAJYNZHLGRRFFS-UHFFFAOYSA-N","135968239",NA,"PDBC08057","747286","Present"
-"1,8-Bis[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethylamino]anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1,8-Bis[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethylamino]anthracene-9,10-dione","","C1=CC2=C(C(=C1)NCCN=CC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)C4=C(C2=O)C=CC=C4NCCN=CC5=C(C=CC(=C5)[N+](=O)[O-])O","YGJUYOPDHQOVNW-UHFFFAOYSA-N","135968249",NA,"PDBC08058","747287","Present"
-"1,8-Diamino-4,5-dihydroxyanthraquinone","","","","","","","","","","","","","","","","","","","","4,5-diaminochrysazin","","C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)O)N)O","SJHHHHHQWQOCDQ-UHFFFAOYSA-N","31419",NA,"PDBC08059","60014","Present"
-"1,8-Dihydro-4,5,1,8-benzodithiadiazecine-2,7-dione","","","","","","","","","","","","","","","","","","","","1,8-Dihydro-4,5,1,8-benzodithiadiazecine-2,7(3H,6H)-dione","","C1C(=O)NC2=CC=CC=C2NC(=O)CSS1","XYRIFLSBRZJJRD-UHFFFAOYSA-N","382459",NA,"PDBC08060","670026","Present"
-"1,8-Dihydroxy anthraquinon","","","","","","","","","","","","","","","","","","","","1,4-bis(N-Cysteinyldiethylamino)-5,8-dihydroxy anthraquinon","","C1=CC(=C2C(=C1NCCNC(=O)C(CS)N)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNC(=O)C(CS)N","CRHREXGMDRBOQO-UHFFFAOYSA-N","438534",NA,"PDBC08061","645018","Present"
-"1,8-Dihydroxy-11-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione","","","","","","","","","","","","","","","","","","","","1,8-Dihydroxy-11-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione","","COC1=C2CCC(CC2=CC3=C1C(=O)C4=C(C3=O)C=CC=C4O)O","XVJWWBRQLNXKLY-UHFFFAOYSA-N","390050",NA,"PDBC08062","686964","Present"
-"1,8-Dimethyl-4,7-diphenyl-10-thia-4,8-diazatricyclo[5.2.1.02,6]decane-3,5,9-trione","","","","","","","","","","","","","","","","","","","","1,8-Dimethyl-4,7-diphenyl-10-thia-4,8-diazatricyclo[5.2.1.02,6]decane-3,5,9-trione","","CC12C3C(C(=O)N(C3=O)C4=CC=CC=C4)C(S1)(N(C2=O)C)C5=CC=CC=C5","HVPHFUKVAWYJPT-UHFFFAOYSA-N","397452",NA,"PDBC08063","705310","Present"
-"1,8-Dimethyl-phenothiazone","","","","","","","","","","","","","","","","","","","","1,8-Dimethyl-phenothiazone","","CC1=CC2=C(C=C1)SC3=CC(=O)C=C(C3=N2)C","HTRMLOVFQZZCHG-UHFFFAOYSA-N","369390",NA,"PDBC08064","641154","Present"
-"1,8-Methylenedioxy-11H-indeno[1,2-c]isoquinoli ne Hydrychloride","","","","","","","","","","","","","","","","","","","","1,4-Dimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoqui...","","COC1=C2C=NC3=C(C2=C(C=C1)OC)CC4=CC5=C(C=C43)OCO5.Cl","ZURIWWOSNUKPSV-UHFFFAOYSA-N","11382758",NA,"PDBC08065","730923","Present"
-"1,8-Octanediamine, N,N'-bis(1-naphthalenylmethyl)-","","","","","","","","","","","","","","","","","","","","1,8-Octanediamine, N,N'-bis(1-naphthalenylmethyl)-","","C1=CC=C2C(=C1)C=CC=C2CNCCCCCCCCNCC3=CC=CC4=CC=CC=C43","RUSAGYULHXYFNT-UHFFFAOYSA-N","364092",NA,"PDBC08066","629733","Present"
-"1,8-Octanediamine, N,N'-bis(3-methoxy-9-acridinyl)-","","","","","","","","","","","","","","","","","","","","N,N'-Bis(3-methoxy-9-acridinyl)-1,8-octanediamine","","COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NCCCCCCCCNC4=C5C=CC(=CC5=NC6=CC=CC=C64)OC","APEGUHYDSVLTGU-UHFFFAOYSA-N","99670",NA,"PDBC08067","263434","Present"
-"1,8-Octanediamine, N1,N8-bis(7-dimethylamino-2-methyl-4-quinolinyl)-","","","","","","","","","","","","","","","","","","","","4,7-Quinolinediamine, N(4),N(4')-1,8-octanediylbis(N(7),...","","CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NCCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N(C)C","IRCZAKCZHXNLMF-UHFFFAOYSA-N","329577",NA,"PDBC08068","313158","Present"
-"1,8-Oxybis(ethyleneoxyethyleneoxy)anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1,8-Oxybis(ethyleneoxyethyleneoxy)anthracene-9,10-dione","","C1COCCOC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4OCCOCCO1","CDVLSTFERMNIJY-UHFFFAOYSA-N","362911",NA,"PDBC08069","627386","Present"
-"1,9,12,15,23,26,31,37-Octazapentacyclo[21.5.5.59,15.13,7.117,21]tetraconta-3(40),4,6,17,19,21(34)-hexaene","","","","","","","","","","","","","","","","","","","","1,9,12,15,23,26,31,37-Octazapentacyclo[21.5.5.59,15.13,7.117,21]tetraconta-3(40),4,6,17,19,21(34)-hexaene","","C1CN2CCNCCN(CCN1)CC3=CC(=CC=C3)CN4CCNCCN(CCNCC4)CC5=CC=CC(=C5)C2","WZOOOZJLKSXDSO-UHFFFAOYSA-N","393776",NA,"PDBC08070","696460","Present"
-"1,9,15-Triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),10,12,14(17),15-pentaen-8-one","","","","","","","","","","","","","","","","","","","","1,9,15-Triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),10,12,14(17),15-pentaen-8-one","","C1CCC2=C(C1)C(=O)NC3=CC=CC4=C3N2C=N4","KNBIGPUSAATFRD-UHFFFAOYSA-N","375448",NA,"PDBC08071","655180","Present"
-"1,9-Bis(2-(diethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione","","","","","","","","","","","","","","","","","","","","1,9-Bis(2-(diethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione","","CCN(CC)CCN1C=CC(=O)C2=CC3=C(C(=C21)C)N(C=CC3=O)CCN(CC)CC","WPBJWZUIXYBIHI-UHFFFAOYSA-N","371160",NA,"PDBC08072","645161","Present"
-"1,9-Bis(2-(dimethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione","","","","","","","","","","","","","","","","","","","","1,9-Bis(2-(dimethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione","","CC1=C2C(=CC3=C1N(C=CC3=O)CCN(C)C)C(=O)C=CN2CCN(C)C","WXIVGXOYHKWXPQ-UHFFFAOYSA-N","371159",NA,"PDBC08073","645160","Present"
-"1,9-Bis(methoxymethyl)-3,7-dimethyl-1,2,3,4,6,7,8,9-octahydro-2,4,6,8-tetraoxopyrimido[5,4-g]pteridine 5-oxide","","","","","","","","","","","","","","","","","","","","Pyrimido[5,4-g]pteridine-2,4,6,8(1H,3H,7H,9H)-tetrone, 1,9-bis(methoxymethyl)-3,7-dimethyl-, 5-oxide","","CN1C(=O)C2=C(N=C3C(=[N+]2[O-])C(=O)N(C(=O)N3COC)C)N(C1=O)COC","QSCPXNCARHFRGF-UHFFFAOYSA-N","385097",NA,"PDBC08074","676032","Present"
-"1,9-Dimethoxy-4,4-dimethyl-3,5,8,10-tetraoxatricyclo[5.2.2.02,6]undecane","","","","","","","","","","","","","","","","","","","","1,9-Dimethoxy-4,4-dimethyl-3,5,8,10-tetraoxatricyclo[5.2.2.02,6]undecane","","CC1(OC2C3COC(C2O1)(C(O3)OC)OC)C","VBOFPGLFXWCGQY-UHFFFAOYSA-N","388911",NA,"PDBC08075","684147","Present"
-"1,9-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol","","","","","","","","","","","","","","","","","","","","1,9-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol","","CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)O)OC)OC)O","PQBKKPXFZHPMRG-UHFFFAOYSA-N","390656",NA,"PDBC08076","688260","Present"
-"1,9-Dimethyl-2,3-dihydro-[1,4]oxazepino[6,5-c][1,8]naphthyridin-5-one","","","","","","","","","","","","","","","","","","","","1,9-Dimethyl-2,3-dihydro-[1,4]oxazepino[6,5-c][1,8]naphthyridin-5-one","","CC1=NC2=NC=C3C(=C2C=C1)N(CCOC3=O)C","HXXVCEXLGOYHKR-UHFFFAOYSA-N","386982",NA,"PDBC08077","680293","Present"
-"1,9-Dithiacyclohexadecane-5,13-dione","","","","","","","","","","","","","","","","","","","","1,9-Dithiacyclohexadecane-5,13-dione","","C1CC(=O)CCCSCCCC(=O)CCCSC1","GINDBEJTBKXPOJ-UHFFFAOYSA-N","373748",NA,"PDBC08078","650647","Present"
-"1,9-Methano-1H-oxepino[3,4-f]indole-3a,5(4H)-diacetic acid, 4-amino-2,3,4a,5,7,9a,10,10a-octahydro-a3a-oxo-","","","","","","","","","","","","","","","","","","","","2-[5-Amino-7-(carboxymethyl)-8-oxa-1-azatetracyclo[9.3.1.04,14.06,12]pentadec-10-en-4-yl]-2-oxoacetic acid","","C1CN2CC3=CCOC(C4C3CC2C1(C4N)C(=O)C(=O)O)CC(=O)O","SAYFSSIFBPEQHK-UHFFFAOYSA-N","280186",NA,"PDBC08079","131612","Present"
-"1,9-[6-Methoxy-7-(ditosylamino)quinoline-2,3-diylcarbonyl]-beta-carboline-3-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 6-[bis-(4-methylphenyl)sulfonylamino]-7-methoxy-12-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),3,5,7,9,14,16,18,20,22-undecaene-22-carboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=NC4=C(C=C3C=C2OC)C(=O)N5C6=CC=CC=C6C7=CC(=NC4=C75)C(=O)OC)S(=O)(=O)C8=CC=C(C=C8)C","BVLBWHFVIQTRFE-UHFFFAOYSA-N","45028276",NA,"PDBC08080","742036","Present"
-"1,9-[7-(Ditosylamino)quinoline-2,3-diylcarbonyl]-beta-carboline-3-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 6-[bis-(4-methylphenyl)sulfonylamino]-12-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),3,5,7,9,14,16,18,20,22-undecaene-22-carboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=NC4=C(C=C3C=C2)C(=O)N5C6=CC=CC=C6C7=CC(=NC4=C75)C(=O)OC)S(=O)(=O)C8=CC=C(C=C8)C","HLOXBRGTNYMEJA-UHFFFAOYSA-N","45028315",NA,"PDBC08081","742162","Present"
-"1,9:5,10-Diepidiselenoanthracene","","","","","","","","","","","","","","","","","","","","Anthra[9,1-cd-10,5-c'd']bis[1,2]diselenole","","C1=CC2=C3C(=C1)[Se][Se]C3=C4C=CC=C5C4=C2[Se][Se]5","VANOAKWXYHHHIN-UHFFFAOYSA-N","365232",NA,"PDBC08082","632579","Present"
-"1,L-Alanyl)-3-phenoxazone nitrate salt","","","","","","","","","","","","","","","","","","","","1,2-Benzo-8-(D,L-alanyl)-3-phenoxazone nitrate salt","","C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CC(C(=O)O)N.[N+](=O)(O)[O-]","BNIGYSSWARYXFF-UHFFFAOYSA-N","5459200",NA,"PDBC08083","643735","Present"
-"1,N-Bis[4-(2-hydroxy-5-chlorophenyl)-6-phenyl-5,6-dihydro pyrimidine-2-yl]diamino methane","","","","","","","","","","","","","","","","","","","","1,3-N,N-bis[4-(2-hydroxy-5-chlorophenyl)-6-phenyl-5,6- d...","","C1C(NC(=NCN=C2NC(CC(=N2)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4)N=C1C5=C(C=CC(=C5)Cl)O)C6=CC=CC=C6","RTEOWMPXDIYBMX-UHFFFAOYSA-N","135436167",NA,"PDBC08084","711125","Present"
-"1,N-Diethylaminoethylaminoacetyloxy)-3-ethoxyphenyl)-1,6-heptadien-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-bis(4-(N,N-diethylaminoethylaminoacetyloxy)-3-ethoxy...","","CCN(CC)CCNCC(=O)OC1=C(C=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CNCCN(CC)CC)OCC)OCC","LFISOHASIAJBPL-HBKJEHTGSA-N","45028273",NA,"PDBC08085","742027","Present"
-"1,N-Diethylaminoethylaminoacetyloxy)-3-methoxyphenyl)-1,7-hepadien-3,5-dione","","","","","","","","","","","","","","","","","","","","1,7-bis(4-(N,N-diethylaminoethylaminoacetyloxy)-3-methox...","","CCN(CC)CCNCC(=O)OC1=C(C=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CNCCN(CC)CC)OC)OC","JGGKKHBCUKNJHM-JOBJLJCHSA-N","45028271",NA,"PDBC08086","742025","Present"
-"1,N-Phenylmethyl)methylamino] quinoxaline.","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-acetyl-3-[(N,N-phenylmethyl)methylamino...","","CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CN(C)C3=CC=CC=C3","GMMQWUHATYEDPT-UHFFFAOYSA-N","406026",NA,"PDBC08087","723908","Present"
-"1-((((2-Hydroxy-1-naphthyl)methylene)amino)methyl)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-[[(2-Hydroxynaphthalen-1-yl)methylamino]methylidene]naphthalen-2-one","","C1=CC=C2C(=C1)C=CC(=C2CN=CC3=C(C=CC4=CC=CC=C43)O)O","FQPAVMLGOVHHFR-UHFFFAOYSA-N","241061",NA,"PDBC08088","48162","Present"
-"1-(((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl)amino)cyclopentanecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-(((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl)amino)cyclopentanecarboxylic acid","","C1CCC(C1)(C(=O)O)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O","JRAWMZWCDVFJTK-UHFFFAOYSA-N","254476",NA,"PDBC08089","78864","Present"
-"1-(((1-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopentyl)carbonyl)amino)cyclopentanecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-[[1-(1,3-Dioxoisoindol-2-yl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid","","C1CCC(C1)(C(=O)NC2(CCCC2)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O","GDJTXBOCDAUDSR-UHFFFAOYSA-N","254481",NA,"PDBC08090","78871","Present"
-"1-(((1-Allyl-2-oxohydrazino)carbonyl)oxy)-2,5-pyrrolidinedione","","","","","","","","","","","","","","","","","","","","1-(((1-Allyl-2-oxohydrazino)carbonyl)oxy)-2,5-pyrrolidinedione","","C=CCN(C(=O)ON1C(=O)CCC1=O)N=O","NYLVMGGFKIVAOB-UHFFFAOYSA-N","366404",NA,"PDBC08091","634773","Present"
-"1-(((1-Aminocyclopentyl)carbonyl)amino)cyclopentanecarboxylic acid","","","","","","","","","","","","","","","","","","","","NSC63331","","C1CCC(C1)(C(=O)NC2(CCCC2)C(=O)O)N","CQRNJEMZHCDADB-UHFFFAOYSA-N","247882",NA,"PDBC08092","63331","Present"
-"1-(((1-Naphthylmethyl)thio)methyl)naphthalene","","","","","","","","","","","","","","","","","","","","DAQRZDDIMCDMPZ-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C=CC=C2CSCC3=CC=CC4=CC=CC=C43","DAQRZDDIMCDMPZ-UHFFFAOYSA-N","233907",NA,"PDBC08093","33052","Present"
-"1-(((2-Amino-5,6-dichloro-4-pyrimidinyl)amino)methyl)cyclobutanol","","","","","","","","","","","","","","","","","","","","1-(((2-Amino-5,6-dichloro-4-pyrimidinyl)amino)methyl)cyclobutanol","","C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)Cl)O","WDHIUEKWKZWEJB-UHFFFAOYSA-N","385221",NA,"PDBC08094","676334","Present"
-"1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclobutanol","","","","","","","","","","","","","","","","","","","","1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclobutanol","","C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)O)CO","SYZAMEQAUFLVSQ-UHFFFAOYSA-N","385219",NA,"PDBC08095","676332","Present"
-"1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutanol","","","","","","","","","","","","","","","","","","","","1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutanol","","C1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)O","NOXXNWBTDYKGIU-UHFFFAOYSA-N","385216",NA,"PDBC08096","676329","Present"
-"1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentanol","","","","","","","","","","","","","","","","","","","","1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentanol","","C1CCC(C1)(CNC2=CC(=NC(=N2)N)Cl)O","DMKMTTOTTZFRQX-UHFFFAOYSA-N","385217",NA,"PDBC08097","676330","Present"
-"1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopropanol","","","","","","","","","","","","","","","","","","","","1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopropanol","","C1CC1(CNC2=CC(=NC(=N2)N)Cl)O","RSQPBSAKBHGYPL-UHFFFAOYSA-N","385220",NA,"PDBC08098","676333","Present"
-"1-(((2-Hydroxyphenyl)imino)methyl)-2-naphthol","","","","","","","","","","","","","","","","","","","","HAMNO","","C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=CC=C3O)O","FMIVOPRNBGRDKP-UHFFFAOYSA-N","85895",NA,"PDBC08099","111847","Present"
-"1-(((2-Oxo-1-(2-propynyl)hydrazino)carbonyl)oxy)-2,5-pyrrolidinedione","","","","","","","","","","","","","","","","","","","","1-(((2-Oxo-1-(2-propynyl)hydrazino)carbonyl)oxy)-2,5-pyrrolidinedione","","C#CCN(C(=O)ON1C(=O)CCC1=O)N=O","XGROVBHXLVLJSZ-UHFFFAOYSA-N","366405",NA,"PDBC08100","634774","Present"
-"1-(((3,5-Dichloro-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-(((3,5-Dichloro-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol","","CN(CC1=C(C(=CC(=C1)Cl)Cl)O)CC2=C(C=CC3=CC=CC=C32)O","FBHWANHQHCXNOW-UHFFFAOYSA-N","257455",NA,"PDBC08101","85479","Present"
-"1-(((4-(Methoxycarbonyl)benzyl)oxy)carbonyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(((4-(Methoxycarbonyl)benzyl)oxy)carbonyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid","","COC(=O)C1=CC=C(C=C1)COC(=O)N2C=CCC2C(=O)O","ZQPHGQICLWNNSD-UHFFFAOYSA-N","381439",NA,"PDBC08102","668027","Present"
-"1-(((4-Methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-(((4-Methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid","","CC1=CC=C(C=C1)S(=O)ON2CCC(CC2)(C3=CC=CC=C3)C(=O)O","AUNZEEIWDQBQHT-UHFFFAOYSA-N","229831",NA,"PDBC08103","23833","Present"
-"1-(((5-Chloro-2-hydroxy-3-methylbenzyl)(ethyl)amino)methyl)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-(((5 chloro-2-hydroxy-3-methylbenzyl)-(ethyl)amino)met...","","CCN(CC1=C(C(=CC(=C1)Cl)C)O)CC2=C(C=CC3=CC=CC=C32)O","UDLFVFDPORVSLW-UHFFFAOYSA-N","259173",NA,"PDBC08104","88850","Present"
-"1-(((5-Tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-(((5-Tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)-2-naphthol","","CC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC3=CC=CC=C32)O)C4CCCCC4","DCXFQOGCYSVVMB-UHFFFAOYSA-N","241463",NA,"PDBC08105","48858","Present"
-"1-(((Allylamino)carbonyl)oxy)-2,5-pyrrolidinedione","","","","","","","","","","","","","","","","","","","","1-[(prop-2-en-1-ylcarbamoyl)oxy]pyrrolidine-2,5-dione","","C=CCNC(=O)ON1C(=O)CCC1=O","HZOPATIHELMVJK-UHFFFAOYSA-N","366403",NA,"PDBC08106","634772","Present"
-"1-(((Benzyloxy)carbonyl)amino)-2-phenylethyl(phenyl)phosphinic acid","","","","","","","","","","","","","","","","","","","","1-(((Benzyloxy)carbonyl)amino)-2-phenylethyl(phenyl)phosphinic acid","","C1=CC=C(C=C1)CC(NC(=O)OCC2=CC=CC=C2)P(=O)(C3=CC=CC=C3)O","CCFLCVNTJITMRL-UHFFFAOYSA-N","382236",NA,"PDBC08107","669690","Present"
-"1-(((Benzyloxy)carbonyl)amino)-3-(methylthio)propyl(phenyl)phosphinic acid","","","","","","","","","","","","","","","","","","","","1-(((Benzyloxy)carbonyl)amino)-3-(methylthio)propyl(phenyl)phosphinic acid","","CSCCC(NC(=O)OCC1=CC=CC=C1)P(=O)(C2=CC=CC=C2)O","IXZKCDHFNWATHQ-UHFFFAOYSA-N","382184",NA,"PDBC08108","669643","Present"
-"1-((1-(Hydroxymethyl)cyclobutyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((1-(Hydroxymethyl)cyclobutyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione","","CC1=CN(C(=O)NC1=O)CC2(CCC2)CO","OKXDWGWJBWQINO-UHFFFAOYSA-N","385299",NA,"PDBC08109","676411","Present"
-"1-((1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino)-2-propanol","","","","","","","","","","","","","","","","","","","","1-((1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino)-2-propanol","","CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2NCC(C)O","LLWAFJIGMJNGTM-UHFFFAOYSA-N","383963",NA,"PDBC08110","672967","Present"
-"1-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)piperidine","","","","","","","","","","","","","","","","","","","","1-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)piperidine","","CCCC[Sn]1(OCC(O1)CN2CCCCC2)CCCC","HVGIUPJHENJJGG-UHFFFAOYSA-N","16683175",NA,"PDBC08111","633510","Present"
-"1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione","","C=C1CC(OC1=O)(CN2C=CC(=O)NC2=O)C3=CC=C(C=C3)Cl","DHBWPEHCYQTOKO-UHFFFAOYSA-N","381498",NA,"PDBC08112","668254","Present"
-"1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pyrimidinedione, 1-[[2-(4-chlorophenyl)- tetr...","","CC1=CN(C(=O)NC1=O)CC2(CC(=C)C(=O)O2)C3=CC=C(C=C3)Cl","KARAYLKTZYZMLC-UHFFFAOYSA-N","381501",NA,"PDBC08113","668257","Present"
-"1-((2-(4-Methoxyphenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((2-(4-Methoxyphenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione","","COC1=CC=C(C=C1)C2(CC(=C)C(=O)O2)CN3C=CC(=O)NC3=O","MOBVDQIZDTYGNW-UHFFFAOYSA-N","381499",NA,"PDBC08114","668255","Present"
-"1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine","","CCN(CC)CCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N","CIJPFODCDIHSPF-UHFFFAOYSA-N","377164",NA,"PDBC08115","658366","Present"
-"1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine","","CCN(CC)CCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]","FNASIBKSUKZENM-UHFFFAOYSA-N","377168",NA,"PDBC08116","658370","Present"
-"1-((2-(Diethylamino)ethyl)amino)-9-((2-(diethylamino)ethyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-N,9-N-Bis[2-(diethylamino)ethyl]-7-methoxy-4-nitroacridine-1,9-diamine","","CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCN(CC)CC)OC","XVFFUYLEENFENO-UHFFFAOYSA-N","377160",NA,"PDBC08117","658362","Present"
-"1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine","","CN(C)CCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N","IWYQEVULXPVJPD-UHFFFAOYSA-N","377163",NA,"PDBC08118","658365","Present"
-"1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine","","CN(C)CCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]","BXUJQSDKGQJJRF-UHFFFAOYSA-N","377167",NA,"PDBC08119","658369","Present"
-"1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one","","","","","","","","","","","","","","","","","","","","9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]- 7-h...","","CN(C)CCNC1=C2C(=C(C=C1)CO)OC3=C(C2=O)C=C(C=C3)O","BOTXZPXSICDQHE-UHFFFAOYSA-N","337396",NA,"PDBC08120","355184","Present"
-"1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-methyl-9H-xanthen-9-one","","","","","","","","","","","","","","","","","","","","1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-methyl-9H-xanthen-9-one","","CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(O2)C=CC(=C3)O","QBUATVGLDZNNBO-UHFFFAOYSA-N","434117",NA,"PDBC08121","342979","Present"
-"1-((2-(Dimethylamino)ethyl)amino)-9-((2-(dimethylamino)ethyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-N,9-N-Bis[2-(dimethylamino)ethyl]-7-methoxy-4-nitroacridine-1,9-diamine","","CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCN(C)C)OC","ZCZLOODDVPCOIS-UHFFFAOYSA-N","377159",NA,"PDBC08122","658361","Present"
-"1-((2-Amino-6-phenyl-4-pyrimidinyl)methyl)cyclohexanol","","","","","","","","","","","","","","","","","","","","1-((2-Amino-6-phenyl-4-pyrimidinyl)methyl)cyclohexanol","","C1CCC(CC1)(CC2=CC(=NC(=N2)N)C3=CC=CC=C3)O","XPEWIIZLDMDSIN-UHFFFAOYSA-N","365312",NA,"PDBC08123","632900","Present"
-"1-((2-Chloro-1-(chloromethyl)ethyl)thio)-4-fluorobenzene","","","","","","","","","","","","","","","","","","","","Benzene, 1-[[2-chloro-1-(chloromethyl)ethyl]thio]-4-fluoro-","","C1=CC(=CC=C1F)SC(CCl)CCl","LIWQRLJKDFATDY-UHFFFAOYSA-N","354778",NA,"PDBC08124","607347","Present"
-"1-((2-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol","","","","","","","","","","","","","","","","","","","","1-((2-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol","","C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl","ALRVIBJQTOPFIZ-UHFFFAOYSA-N","367877",NA,"PDBC08125","638043","Present"
-"1-((2-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-ol","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone","","CC1=CC=C(C=C1)C2(CC(=NN2C(=O)COC3=CC=CC=C3Cl)C4=CC=C(O4)[N+](=O)[O-])O","QZRSETPEVKTSNM-UHFFFAOYSA-N","367870",NA,"PDBC08126","638036","Present"
-"1-((2-Chlorophenyl)(1H-indazol-1-yl)methyl)-1H-indazole","","","","","","","","","","","","","","","","","","","","1-((2-Chlorophenyl)(1H-indazol-1-yl)methyl)-1H-indazole","","C1=CC=C2C(=C1)C=NN2C(C3=CC=CC=C3Cl)N4C5=CC=CC=C5C=N4","DRQXTWXIFCGWDN-UHFFFAOYSA-N","364071",NA,"PDBC08127","629710","Present"
-"1-((2-Ethyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-((2-Ethyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol","","CCC1=NC2=C(N1)C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O","CDMBPCSJABTNNV-UHFFFAOYSA-N","371434",NA,"PDBC08128","645656","Present"
-"1-((2-Fluoro-1-(((4-methylphenyl)sulfinyl)methyl)ethoxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((2-Fluoro-1-(((4-methylphenyl)sulfinyl)methyl)ethoxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione","","CC1=CC=C(C=C1)S(=O)CC(CF)OCN2C=C(C(=O)NC2=O)C","LRKAJIMUJOASCI-UHFFFAOYSA-N","382811",NA,"PDBC08129","670539","Present"
-"1-((2-Hydroxy-1-(hydroxymethyl)ethoxy)methyl)-5-phenyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((2-Hydroxy-1-(hydroxymethyl)ethoxy)methyl)-5-phenyl-2,4(1H,3H)-pyrimidinedione","","C1=CC=C(C=C1)C2=CN(C(=O)NC2=O)COC(CO)CO","OSMRSGVEQZYFND-UHFFFAOYSA-N","381523",NA,"PDBC08130","668279","Present"
-"1-((2-Hydroxyethoxy)methyl)-5-phenyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((2-Hydroxyethoxy)methyl)-5-phenyl-2,4(1H,3H)-pyrimidinedione","","C1=CC=C(C=C1)C2=CN(C(=O)NC2=O)COCCO","DJVWZOVTDMLYJJ-UHFFFAOYSA-N","381522",NA,"PDBC08131","668278","Present"
-"1-((2-Methyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-((2-Methyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol","","CC1=NC2=C(N1)C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O","GFVLBOGSQWCHGO-UHFFFAOYSA-N","371433",NA,"PDBC08132","645655","Present"
-"1-((2-Propynyloxy)methyl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((2-Propynyloxy)methyl)-2,4(1H,3H)-pyrimidinedione","","C#CCOCN1C=CC(=O)NC1=O","FELZLZWQZVDDGL-UHFFFAOYSA-N","376606",NA,"PDBC08133","657617","Present"
-"1-((2-Pyridinylmethyl)thio)acetone","","","","","","","","","","","","","","","","","","","","1-((2-Pyridinylmethyl)thio)acetone","","CC(=O)CSCC1=CC=CC=N1","HDVYPXHPWJTNAK-UHFFFAOYSA-N","264035",NA,"PDBC08134","98828","Present"
-"1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione","","C=C1CC(OC1=O)(CN2C=CC(=O)NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4","CHNLXVZWZIJDSA-UHFFFAOYSA-N","381500",NA,"PDBC08135","668256","Present"
-"1-((2R,3S,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-YL)pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","2'-deoxy-2'-fluorouridine///FAU","","C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F","UIYWFOZZIZEEKJ-UHFFFAOYSA-N","352500",NA,"PDBC08136","526645///678515","Present"
-"1-((3,4-Dimethoxybenzylidene)amino)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-((3,4-Dimethoxybenzylidene)amino)-2-naphthol","","COC1=C(C=C(C=C1)C=NC2=C(C=CC3=CC=CC=C32)O)OC","WLADIRHKJOTLNV-UHFFFAOYSA-N","226514",NA,"PDBC08137","17061","Present"
-"1-((3-(((2,5-Dioxo-1-pyrrolidinyl)methyl)amino)anilino)methyl)-2,5-pyrrolidinedione","","","","","","","","","","","","","","","","","","","","1-((3-(((2,5-Dioxo-1-pyrrolidinyl)methyl)amino)anilino)methyl)-2,5-pyrrolidinedione","","C1CC(=O)N(C1=O)CNC2=CC(=CC=C2)NCN3C(=O)CCC3=O","DETYQSRFAKNSIQ-UHFFFAOYSA-N","365544",NA,"PDBC08138","633245","Present"
-"1-((3-(Diethylamino)-2-hydroxypropyl)amino)-4-((2,3-epoxypropyl)amino)-9,10-anthracenedione fumaric acid salt","","","","","","","","","","","","","","","","","","","","1-[[3'-(Diethylamino)-2'-hydroxypropyl]amino]-4- [(2'',3...","","CCN(CC)CC(CNC1=C2C(=C(C=C1)NCC3CO3)C(=O)C4=CC=CC=C4C2=O)O.C(=CC(=O)O)C(=O)O","BREXYFHGCPUYSM-WLHGVMLRSA-N","5388837",NA,"PDBC08139","639366","Present"
-"1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine","","CCN(CC)CCCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N","XMXJZSOGXBXAQL-UHFFFAOYSA-N","377166",NA,"PDBC08140","658368","Present"
-"1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine","","CCN(CC)CCCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]","CRFPZOQIRQYUOT-UHFFFAOYSA-N","377170",NA,"PDBC08141","658372","Present"
-"1-((3-(Diethylamino)propyl)amino)-9-((3-(diethylamino)propyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-N,9-N-Bis[3-(diethylamino)propyl]-7-methoxy-4-nitroacridine-1,9-diamine","","CCN(CC)CCCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCCN(CC)CC)OC","JRFJTWWJMLKUNV-UHFFFAOYSA-N","377162",NA,"PDBC08142","658364","Present"
-"1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine","","CN(C)CCCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N","HKLXXNLFNSXNNA-UHFFFAOYSA-N","377165",NA,"PDBC08143","658367","Present"
-"1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine","","CN(C)CCCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]","LCDONRWWUHTTBU-UHFFFAOYSA-N","377169",NA,"PDBC08144","658371","Present"
-"1-((3-(Dimethylamino)propyl)amino)-9-((3-(dimethylamino)propyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","1-N,9-N-Bis[3-(dimethylamino)propyl]-7-methoxy-4-nitroacridine-1,9-diamine","","CN(C)CCCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCCN(C)C)OC","YRKVZONKXGMJCC-UHFFFAOYSA-N","377161",NA,"PDBC08145","658363","Present"
-"1-((3-Hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)methyl)-3-pyrrolidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-((3-Hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)methyl)-3-pyrrolidinecarboxylic acid","","C1CN(CC1C(=O)O)CC2=C(C(=O)C=C(O2)CO)O","RFRLLLYAWDZXLD-UHFFFAOYSA-N","273116",NA,"PDBC08146","118068","Present"
-"1-((3-Methoxyphenyl)diazenyl)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-((3-Methoxyphenyl)diazenyl)pyrrolidine","","COC1=CC=CC(=C1)N=NN2CCCC2","FTAKNTQJSQWQGF-UHFFFAOYSA-N","390401",NA,"PDBC08147","687755","Present"
-"1-((4'-((1-Cyanocyclopentyl)amino)[1,1'-biphenyl]-4-yl)amino)cyclopentanecarbonitrile","","","","","","","","","","","","","","","","","","","","1-((4'-((1-Cyanocyclopentyl)amino)[1,1'-biphenyl]-4-yl)amino)cyclopentanecarbonitrile","","C1CCC(C1)(C#N)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4(CCCC4)C#N","DBCCRWIMQOCVFV-UHFFFAOYSA-N","266698",NA,"PDBC08148","105444","Present"
-"1-((4-(4-(((2,5-Dioxo-1-pyrrolidinyl)methyl)amino)benzoyl)anilino)methyl)-2,5-pyrrolidinedione","","","","","","","","","","","","","","","","","","","","1-((4-(4-(((2,5-Dioxo-1-pyrrolidinyl)methyl)amino)benzoyl)anilino)methyl)-2,5-pyrrolidinedione","","C1CC(=O)N(C1=O)CNC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)NCN4C(=O)CCC4=O","NZYORHOGNSGAKC-UHFFFAOYSA-N","365545",NA,"PDBC08149","633246","Present"
-"1-((4-Benzyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one","","","","","","","","","","","","","","","","","","","","1-((4-Benzyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one","","C1CN2C(=O)C3=CC=CC=C3N=C2N(C1)C(=O)CN4CCN(CC4)CC5=CC=CC=C5","WMJOMCXPPMHNRI-UHFFFAOYSA-N","381984",NA,"PDBC08150","669304","Present"
-"1-((4-Bromophenyl)diazenyl)piperidine","","","","","","","","","","","","","","","","","","","","C11H14BrN3","","C1CCN(CC1)N=NC2=CC=C(C=C2)Br","IXEQSZLSGIDWGB-UHFFFAOYSA-N","390400",NA,"PDBC08151","687754","Present"
-"1-((4-Bromophenyl)diazenyl)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-((4-Bromophenyl)diazenyl)pyrrolidine","","C1CCN(C1)N=NC2=CC=C(C=C2)Br","VNIADXHPZRPGIW-UHFFFAOYSA-N","390394",NA,"PDBC08152","687748","Present"
-"1-((4-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol","","","","","","","","","","","","","","","","","","","","1-((4-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol","","C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","ZZBKQACBUAMRNJ-UHFFFAOYSA-N","367876",NA,"PDBC08153","638042","Present"
-"1-((4-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-ol","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone","","CC1=CC=C(C=C1)C2(CC(=NN2C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-])O","XRMVGCUDTXEHCY-UHFFFAOYSA-N","367871",NA,"PDBC08154","638037","Present"
-"1-((4-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitrofuran-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone","","C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-]","LRCOUHYBNBBCLE-UHFFFAOYSA-N","367872",NA,"PDBC08155","638038","Present"
-"1-((4-Chlorophenoxy)acetyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-ol","","","","","","","","","","","","","","","","","","","","1-((4-Chlorophenoxy)acetyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-ol","","COC1=CC=C(C=C1)C2=NN(C(C2)(C3=CC=C(C=C3)Cl)O)C(=O)COC4=CC=C(C=C4)Cl","RWMSKHGRJXBBCW-UHFFFAOYSA-N","367878",NA,"PDBC08156","638044","Present"
-"1-((4-Methoxyanilino)methyl)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-{[(4-methoxyphenyl)amino]methyl}naphthalen-2-ol","","COC1=CC=C(C=C1)NCC2=C(C=CC3=CC=CC=C32)O","IBZVGAKJSAZIAB-UHFFFAOYSA-N","240945",NA,"PDBC08157","47924","Present"
-"1-((4-Methyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one","","","","","","","","","","","","","","","","","","","","1-((4-Methyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one","","CN1CCN(CC1)CC(=O)N2CCCN3C2=NC4=CC=CC=C4C3=O","WIVUFSBFWPQXNR-UHFFFAOYSA-N","381982",NA,"PDBC08158","669302","Present"
-"1-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methyl)dihydro-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methyl)dihydro-2,4(1H,3H)-pyrimidinedione","","C=C1CC(OC1=O)(CN2CCC(=O)NC2=O)C3=CC=CC=C3","JITKJNUOLGTHNO-UHFFFAOYSA-N","381497",NA,"PDBC08159","668253","Present"
-"1-((4-Methylphenoxy)acetyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazol-5-ol","","","","","","","","","","","","","","","","","","","","1-((4-Methylphenoxy)acetyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazol-5-ol","","CC1=CC=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=CC=C3)(C4=CC=CC=C4)O","PLULRZFASRFLPP-UHFFFAOYSA-N","367875",NA,"PDBC08160","638041","Present"
-"1-((4-Methylphenyl)azo)-2-naphthalenol","","","","","","","","","","","","","","","","","","","","CCRIS 4005","","CC1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O","JCZUIEHTNMQCRK-UHFFFAOYSA-N","97210",NA,"PDBC08161","106296","Present"
-"1-((4-Methylphenyl)sulfonyl)-1H-pyrrole-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","1-((4-Methylphenyl)sulfonyl)-1H-pyrrole-3,4-dicarbonitrile","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C#N)C#N","UDGASIFDGMETFZ-UHFFFAOYSA-N","386827",NA,"PDBC08162","679535","Present"
-"1-((4-Methylphenyl)sulfonyl)-2-(2-methyl-1-propenyl)-1,2,3,4-tetrahydroquinoline","","","","","","","","","","","","","","","","","","","","1-((4-Methylphenyl)sulfonyl)-2-(2-methyl-1-propenyl)-1,2,3,4-tetrahydroquinoline","","CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC3=CC=CC=C32)C=C(C)C","DFGWDORZGHNHKH-UHFFFAOYSA-N","372862",NA,"PDBC08163","648552","Present"
-"1-((5-Iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride","","","","","","","","","","","","","","","","","","","","1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-l,4-diazep...","","C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I.Cl","KDDALCDYHZIZMH-UHFFFAOYSA-N","9803932",NA,"PDBC08164","734550","Present"
-"1-((Acetyl-2-methoxyanilino)methyl)-5-oxoproline","","","","","","","","","","","","","","","","","","","","1-((Acetyl-2-methoxyanilino)methyl)-5-oxoproline","","CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC=CC=C2OC","JLYRNWXXTGYBJT-UHFFFAOYSA-N","389173",NA,"PDBC08165","684857","Present"
-"1-((Allyloxy)methyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","1-((Allyloxy)methyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone","","C=CCOCN1C=CC(=NC1=O)N","OJHJQBBTZLAIQR-UHFFFAOYSA-N","376603",NA,"PDBC08166","657614","Present"
-"1-((Allyloxy)methyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((Allyloxy)methyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione","","C=CCOCN1C=C(C(=O)NC1=O)F","IGVGWTRNVDKCHA-UHFFFAOYSA-N","376600",NA,"PDBC08167","657611","Present"
-"1-((Allyloxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-((Allyloxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione","","CC1=CN(C(=O)NC1=O)COCC=C","TUVOGBMSIUAZMK-UHFFFAOYSA-N","376601",NA,"PDBC08168","657612","Present"
-"1-((Benzylamino)methyl)-2-naphthalenethiol","","","","","","","","","","","","","","","","","","","","1-((Benzylamino)methyl)-2-naphthalenethiol","","C1=CC=C(C=C1)CNCC2=C(C=CC3=CC=CC=C32)S","BLEHTALMHJHORQ-UHFFFAOYSA-N","255831",NA,"PDBC08169","81747","Present"
-"1-((Cyano(ethylamino)methylene)amino)ethane","","","","","","","","","","","","","","","","","","","","1-cyano-N,N'-diethyl-formamidine","","CCNC(=NCC)C#N","NHDDPLNHHZPNBD-UHFFFAOYSA-N","369711",NA,"PDBC08170","641764","Present"
-"1-((Diphenylphosphoryl)methyl)-3-methylpiperidine","","","","","","","","","","","","","","","","","","","","1-((Diphenylphosphoryl)methyl)-3-methylpiperidine","","","","",NA,"PDBC08171","201579","Present"
-"1-((Methyl(2-propynyl)amino)carbonyl)-2-oxo-1-(2-propynyl)hydrazine","","","","","","","","","","","","","","","","","","","","1-((Methyl(2-propynyl)amino)carbonyl)-2-oxo-1-(2-propynyl)hydrazine","","CN(CC#C)C(=O)N(CC#C)N=O","ZCMYUJYDAHASLH-UHFFFAOYSA-N","366407",NA,"PDBC08172","634776","Present"
-"1-((Phenylsulfinyl)methyl)cyclohexanol","","","","","","","","","","","","","","","","","","","","1-((Phenylsulfinyl)methyl)cyclohexanol","","C1CCC(CC1)(CS(=O)C2=CC=CC=C2)O","KVRLJSGGZODSGI-UHFFFAOYSA-N","380799",NA,"PDBC08173","666518","Present"
-"1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-hydroxy-2-methoxyethanone","","","","","","","","","","","","","","","","","","","","1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-hydroxy-2-methoxyethanone","","COC(C(=O)C1=C2CCCC2=CC3=C1CCC3)O","INNTWKKPCYODLV-UHFFFAOYSA-N","382670",NA,"PDBC08174","670318","Present"
-"1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)ethanone","","CC(=O)C1=C2CCCC2=CC3=C1CCC3","LXEFIXBOEISQEM-UHFFFAOYSA-N","382669",NA,"PDBC08175","670317","Present"
-"1-(1,2-Benzisothiazol-3-yl)-3-phenyl-1H-pyrazol-5-amine","","","","","","","","","","","","","","","","","","","","1-(1,2-Benzisothiazol-3-yl)-3-phenyl-1H-pyrazol-5-amine","","C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NSC4=CC=CC=C43","SFFPLXCAHLNACT-UHFFFAOYSA-N","374737",NA,"PDBC08176","652929","Present"
-"1-(1,2-Benzothiazole-3-carbonylamino)-3-(4-methoxyphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(1,2-Benzothiazole-3-carbonylamino)-3-(4-methoxyphenyl)thiourea","","COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NSC3=CC=CC=C32","IYYFUMJXKUSRCA-UHFFFAOYSA-N","3004430",NA,"PDBC08177","652921","Present"
-"1-(1,2-Benzothiazole-3-carbonylamino)-3-ethyl-thiourea","","","","","","","","","","","","","","","","","","","","1-(1,2-Benzothiazole-3-carbonylamino)-3-ethyl-thiourea","","CCNC(=S)NNC(=O)C1=NSC2=CC=CC=C21","AOSIUPVZBRFSCU-UHFFFAOYSA-N","3004428",NA,"PDBC08178","652919","Present"
-"1-(1,2-Benzothiazole-3-carbonylamino)-3-phenyl-thiourea","","","","","","","","","","","","","","","","","","","","1-(1,2-Benzothiazole-3-carbonylamino)-3-phenyl-thiourea","","C1=CC=C(C=C1)NC(=S)NNC(=O)C2=NSC3=CC=CC=C32","OCKCEWFATKATKJ-UHFFFAOYSA-N","3004429",NA,"PDBC08179","652920","Present"
-"1-(1,2-Diphenylvinyl)-2-methyl-3,5-pyrazolidinedione","","","","","","","","","","","","","","","","","","","","1-(1,2-Diphenylvinyl)-2-methyl-3,5-pyrazolidinedione","","CN1C(=O)CC(=O)N1C(=CC2=CC=CC=C2)C3=CC=CC=C3","JKSWGDKENWSXIF-FOWTUZBSSA-N","5469827",NA,"PDBC08180","693121","Present"
-"1-(1,2-Diphenylvinyl)-2-phenyl-3,5-pyrazolidinedione","","","","","","","","","","","","","","","","","","","","1-(1,2-Diphenylvinyl)-2-phenyl-3,5-pyrazolidinedione","","C1C(=O)N(N(C1=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","CJSGWAAGUVCPFG-LTGZKZEYSA-N","5469828",NA,"PDBC08181","693122","Present"
-"1-(1,3-Benzodioxol-5-yl(1-piperazinyl)methyl)piperazine","","","","","","","","","","","","","","","","","","","","1,1'-(benzo[d][1,3]dioxol-5-ylmethylene)dipiperazine","","C1CN(CCN1)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4","ASZPIRKUABZLDL-UHFFFAOYSA-N","258237",NA,"PDBC08182","87015","Present"
-"1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone","","COC1=CC(=CC(=C1OC)OC)CC(=O)C2=CC3=C(C=C2)OCO3","SINXJNIEDLFUNK-UHFFFAOYSA-N","372802",NA,"PDBC08183","648425","Present"
-"1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)vinyl acetate","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)vinyl acetate","","CC(=O)OC(=CC1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2)OCO3","HKWGPTPTKNBQTE-APSNUPSMSA-N","5351401",NA,"PDBC08184","647363","Present"
-"1-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-(2-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-(2-thienyl)-1,4-butanedione","","COC1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4","PGAPSTGWAGXOEO-UHFFFAOYSA-N","376698",NA,"PDBC08185","657741","Present"
-"1-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-phenyl-1,4-butanedione","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-phenyl-1,4-butanedione","","COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4","VMTBBWQKJFXMKH-UHFFFAOYSA-N","376696",NA,"PDBC08186","657739","Present"
-"1-(1,3-Benzodioxol-5-yl)-2-(diphenylphosphoryl)-2-methoxyethanol","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzodioxol-5-yl)-2-(diphenylphosphoryl)-2-methoxyethanol","","COC(C(C1=CC2=C(C=C1)OCO2)O)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","KDRQDHKZFXFOJE-UHFFFAOYSA-N","357966",NA,"PDBC08187","617641","Present"
-"1-(1,3-Benzodioxol-5-yl)-2-bromopropyl isobutyl ether","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzodioxol-5-yl)-2-bromopropyl isobutyl ether","","CC(C)COC(C1=CC2=C(C=C1)OCO2)C(C)Br","ZLVMDWQCFMCCCO-UHFFFAOYSA-N","304217",NA,"PDBC08188","195151","Present"
-"1-(1,3-Benzodioxol-5-ylcarbonyl)-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzodioxol-5-ylcarbonyl)-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","CN1CCC2=CC=CC=C2C(C1=O)C(=O)C3=CC4=C(C=C3)OCO4","CCEQGQMFWHEXBN-UHFFFAOYSA-N","368732",NA,"PDBC08189","639865","Present"
-"1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinecarboxamide","","C1CC(N(C1)CC2=CC3=C(C=C2)OCO3)C(=O)N","WIPQZIQVKUKTSH-UHFFFAOYSA-N","269006",NA,"PDBC08190","109526","Present"
-"1-(1,3-Benzothiazol-2-yl)-3-(2-chloro-4-nitrophenyl)urea","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzothiazol-2-yl)-3-(2-chloro-4-nitrophenyl)urea","","C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl","BWAZHNWZEVIGBV-UHFFFAOYSA-N","332430",NA,"PDBC08191","329250","Present"
-"1-(1,3-Benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)urea","","","","","","","","","","","","","","","","","","","","1-(Benzo[d]thiazol-2-yl)-3-(4-chloro-3-nitrophenyl)urea","","C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]","JOTYYZZVRLAFOZ-UHFFFAOYSA-N","332429",NA,"PDBC08192","329249","Present"
-"1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-8-(4-sulfophenyl)-1,7,8-triazaspiro[3.4]oct-6-ene-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-8-(4-sulfophenyl)-1,7,8-triazaspiro[3.4]oct-6-ene-6-carboxylic acid","","C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)S(=O)(=O)O)C(=O)O","QQIYXSQDGMFMHN-UHFFFAOYSA-N","397246",NA,"PDBC08193","704663","Present"
-"1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-8-phenyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzothiazol-2-yl)-3-chloro-7-methyl-5-phenyl-1,5,6-triazaspiro[3.4]oct-6-en-2-one","","CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=CC=C5","BARPPGCSDZGDGV-UHFFFAOYSA-N","397242",NA,"PDBC08194","704659","Present"
-"1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(2-chlorophenyl)-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzothiazol-2-yl)-3-chloro-5-(2-chlorophenyl)-7-methyl-1,5,6-triazaspiro[3.4]oct-6-en-2-one","","CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=CC=C5Cl","VZGYBNUVGMPAAN-UHFFFAOYSA-N","397243",NA,"PDBC08195","704660","Present"
-"1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzothiazol-2-yl)-3-chloro-5-(3-chlorophenyl)-7-methyl-1,5,6-triazaspiro[3.4]oct-6-en-2-one","","CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)Cl","KZVZKDRFTHKMJB-UHFFFAOYSA-N","397244",NA,"PDBC08196","704661","Present"
-"1-(1,3-Benzothiazol-2-yl)-4-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzothiazol-2-yl)-4-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetrone","","CCC1=C(C(=CC=C1)C(C)C)C2C(=O)C(=O)N(C(=O)C2=O)C3=NC4=CC=CC=C4S3","WEWLWFVWKRAFFK-UHFFFAOYSA-N","360287",NA,"PDBC08197","622321","Present"
-"1-(1,3-Dimethyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-5-ium-7-yl)-3-(2,6-dimethyl-5-oxo-3-thioxo-1,2,4-triazin-4-yl)-1,2-bis(4-methoxyphenyl)guanidine","","","","","","","","","","","","","","","","","","","","[(E)-N'-(2,6-Dimethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-4-yl)-N-(1,3-dimethyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-1-ium-7-yl)-N-(4-methoxyphenyl)carbamimidoyl]-(4-methoxyphenyl)azanide","","CC1=NN(C(=S)N(C1=O)N=C([N-]C2=CC=C(C=C2)OC)N(C3=CC=C(C=C3)OC)C4=NN5C(=O)C(=N[N+](=C5S4)C)C)C","KORMUPDUZFCIHV-UHFFFAOYSA-N","9571795",NA,"PDBC08198","655067","Present"
-"1-(1,3-Dithiolan-2-ylidene(2-(hydroxy(oxido)amino)-4,5-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline","","","","","","","","","","","","","","","","","","","","1-[(4,5-Dimethoxy-2-nitrophenyl)(1,3-dithiolan-2-ylidene)methyl]-6,7-dimethoxyisoquinoline","","COC1=C(C=C2C(=C1)C=CN=C2C(=C3SCCS3)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC)OC","YPMQCKVVHQNNBX-UHFFFAOYSA-N","363403",NA,"PDBC08199","628307","Present"
-"1-(1,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(1,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-3-yl)ethanone","","CC(=O)C1=CCC2C3=C(CCN2C1)C4=CC=CC=C4N3","ZDOXZXFUEQNHHH-UHFFFAOYSA-N","372788",NA,"PDBC08200","648411","Present"
-"1-(1,4-Dihydroxy-2-naphthyl)ethanone","","","","","","","","","","","","","","","","","","","","2-Acetyl-1,4-naphthalenediol","","CC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O","CKLPUCARSNJTSJ-UHFFFAOYSA-N","269862",NA,"PDBC08201","111552","Present"
-"1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-[(2Z)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]-1-phenylethylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-[(2Z)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]-1-phenylethylidene]amino]thiourea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC(=NNC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=CC=C5","FRJAFJHXGVVHLD-WGYWKGKLSA-N","9572077",NA,"PDBC08202","701205","Present"
-"1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-[(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]butan-2-ylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-[(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]butan-2-ylidene]amino]thiourea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=C(C)C(=NNC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C","SAINAHTYHABLKG-KUUUIRGPSA-N","6412588",NA,"PDBC08203","701204","Present"
-"1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)ethanol","","","","","","","","","","","","","","","","","","","","1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)ethanol","","CC(C1(CC(C1)CCC2=CC=CC=C2)CNC3=CC(=NC(=N3)N)Cl)O","GOUZDMVNRVLFRO-UHFFFAOYSA-N","385234",NA,"PDBC08204","676347","Present"
-"1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)ethanol","","","","","","","","","","","","","","","","","","","","1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)ethanol","","CC(C1(CCC1)CNC2=CC(=NC(=N2)N)Cl)O","PSJGGLMTADMOKA-UHFFFAOYSA-N","385224",NA,"PDBC08205","676337","Present"
-"1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclohexyl)ethanol","","","","","","","","","","","","","","","","","","","","1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclohexyl)ethanol","","CC(C1(CCCCC1)CNC2=CC(=NC(=N2)N)Cl)O","WOYVBNQCCOUASJ-UHFFFAOYSA-N","385242",NA,"PDBC08206","676355","Present"
-"1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)ethanol","","","","","","","","","","","","","","","","","","","","1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)ethanol","","CC(C1(CCCC1)CNC2=CC(=NC(=N2)N)Cl)O","LLMXWHVAWXXDQY-UHFFFAOYSA-N","385237",NA,"PDBC08207","676350","Present"
-"1-(1-((5-Oxo-4-phenyl-2,5-dihydro-3-furanyl)methyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one","","","","","","","","","","","","","","","","","","","","1-(1-((5-Oxo-4-phenyl-2,5-dihydro-3-furanyl)methyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one","","C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=C(C(=O)OC4)C5=CC=CC=C5","BKVUTIBFSDLXMN-UHFFFAOYSA-N","380030",NA,"PDBC08208","665325","Present"
-"1-(1-(2-(2-Adamantyl(hydroxy)amino)-1-(hydroxymethyl)ethoxy)-2-hydroxyethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-[1-[1-[2-Adamantyl(hydroxy)amino]-3-hydroxypropan-2-yl]oxy-2-hydroxyethyl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C(CO)OC(CN(C2C3CC4CC(C3)CC2C4)O)CO","NFEIVXOYPNOTID-UHFFFAOYSA-N","376227",NA,"PDBC08209","656907","Present"
-"1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene","","","","","","","","","","","","","","","","","","","","1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene","","CC1CCC(=CC1)C(C)(C)OCC=C","GZVCPWAZIZCHNK-UHFFFAOYSA-N","377298",NA,"PDBC08210","658700","Present"
-"1-(1-(Allyloxy)ethyl)-5-bromo-6-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-(1-(Allyloxy)ethyl)-5-bromo-6-methyl-2,4(1H,3H)-pyrimidinedione","","CC1=C(C(=O)NC(=O)N1C(C)OCC=C)Br","PKARWJLDVIHUAW-UHFFFAOYSA-N","374535",NA,"PDBC08211","652286","Present"
-"1-(1-(Benzylthio)-3,4,4-trichloro-2-(hydroxy(oxido)amino)-1,3-butadienyl)piperidine","","","","","","","","","","","","","","","","","","","","1-(1-(Benzylthio)-3,4,4-trichloro-2-(hydroxy(oxido)amino)-1,3-butadienyl)piperidine","","C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SCC2=CC=CC=C2","JMPXJKIBJJUVFW-PEZBUJJGSA-N","1550320",NA,"PDBC08212","665098","Present"
-"1-(1-Acetyl-2-methoxyindol-3-yl)propan-2-one","","","","","","","","","","","","","","","","","","","","1-(1-Acetyl-2-methoxyindol-3-yl)propan-2-one","","CC(=O)CC1=C(N(C2=CC=CC=C21)C(=O)C)OC","IGDRTSIELPLOTR-UHFFFAOYSA-N","360059",NA,"PDBC08213","621857","Present"
-"1-(1-Acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-(1-Acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol","","CC(=O)N1C(CC(=N1)C2=C(C=CC3=CC=CC=C32)O)C4=CC=C(C=C4)Cl","QPODRDQMOHSPOG-UHFFFAOYSA-N","390437",NA,"PDBC08214","687791","Present"
-"1-(1-Adamantyl)-2-(triphenylphosphoranylidene)ethanone","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-2-(triphenylphosphoranylidene)ethanone","","C1C2CC3CC1CC(C2)(C3)C(=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","WQTBBVKWMRCLSL-UHFFFAOYSA-N","392841",NA,"PDBC08215","693853","Present"
-"1-(1-Adamantyl)-3-(1-benzylbenzimidazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-3-(1-benzylbenzimidazol-2-yl)urea","","C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=NC5=CC=CC=C5N4CC6=CC=CC=C6","SIPNTAMWRBIWNG-UHFFFAOYSA-N","374149",NA,"PDBC08216","651606","Present"
-"1-(1-Adamantyl)-3-(1-methylbenzimidazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-3-(1-methylbenzimidazol-2-yl)urea","","CN1C2=CC=CC=C2N=C1NC(=O)NC34CC5CC(C3)CC(C5)C4","WNJDINHLNIXJFA-UHFFFAOYSA-N","374147",NA,"PDBC08217","651604","Present"
-"1-(1-Adamantyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea","","C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4","DWHXZURMHPIMCI-UHFFFAOYSA-N","2803124",NA,"PDBC08218","247024","Present"
-"1-(1-Adamantyl)-3-(5-bromo-2-pyridyl)thiourea","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N'-(5-bromo-2-pyridinyl)thiourea","","C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=NC=C(C=C4)Br","VRVPUNSAENPECC-UHFFFAOYSA-N","3005418",NA,"PDBC08219","698958","Present"
-"1-(1-Adamantyl)-3-(dimethylamino)thiourea","","","","","","","","","","","","","","","","","","","","AN-689/40154719","","CN(C)NC(=S)NC12CC3CC(C1)CC(C3)C2","FGGWOFOLYCLOBQ-UHFFFAOYSA-N","3004013",NA,"PDBC08220","622620","Present"
-"1-(1-Adamantyl)-3-(dimethylamino)urea","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-3-(dimethylamino)urea","","CN(C)NC(=O)NC12CC3CC(C1)CC(C3)C2","KWUVLQSOBDEUAK-UHFFFAOYSA-N","360491",NA,"PDBC08221","622625","Present"
-"1-(1-Adamantyl)-3-(isopropylideneamino)thiourea","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-3-(isopropylideneamino)thiourea","","CC(=NNC(=S)NC12CC3CC(C1)CC(C3)C2)C","OKSVYMPTOSFZBE-UHFFFAOYSA-N","3004015",NA,"PDBC08222","622623","Present"
-"1-(1-Adamantyl)-3-[(E)-(3,5-dichlorophenyl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-3-[(E)-(3,5-dichlorophenyl)methylideneamino]thiourea","","C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC(=CC(=C4)Cl)Cl","ZRWPRNIYISSONX-UFFVCSGVSA-N","9556459",NA,"PDBC08223","121934","Present"
-"1-(1-Adamantyl)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea","","C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=C(C=CC(=C4)Br)O","RXZXILJPDNVGLA-KEBDBYFISA-N","135478829",NA,"PDBC08224","121940","Present"
-"1-(1-Adamantyl)-3-[(E)-benzylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-3-[(E)-benzylideneamino]thiourea","","C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC=CC=C4","BWRCFVJIJQGTIW-XDHOZWIPSA-N","9569873",NA,"PDBC08225","622624","Present"
-"1-(1-Adamantyl)-3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]urea","","C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)Cl","MBZUYEPZRNJIAJ-UHFFFAOYSA-N","374151",NA,"PDBC08226","651608","Present"
-"1-(1-Adamantyl)-3-[4-(3-ethoxy-1,2,4-triazol-1-yl)phenyl]thiourea","","","","","","","","","","","","","","","","","","","","1-(1-Adamantyl)-3-[4-(3-ethoxy-1,2,4-triazol-1-yl)phenyl]thiourea","","CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4","KTWILMFWBAMWBU-UHFFFAOYSA-N","3001016",NA,"PDBC08227","656361","Present"
-"1-(1-Adamantyl)-3-ureido-urea","","","","","","","","","","","","","","","","","","","","AUN113483","","C1C2CC3CC1CC(C2)(C3)NC(=O)NNC(=O)N","IWFGIKJYJFKJHB-UHFFFAOYSA-N","360485",NA,"PDBC08228","622619","Present"
-"1-(1-Benzothien-3-yl)-3-(1-piperidinyl)-1-propanone","","","","","","","","","","","","","","","","","","","","1-(1-Benzothien-3-yl)-3-(1-piperidinyl)-1-propanone","","C1CCN(CC1)CCC(=O)C2=CSC3=CC=CC=C32","IVQOCTZDCXKGHW-UHFFFAOYSA-N","268638",NA,"PDBC08229","108944","Present"
-"1-(1-Benzothiophen-2-yl)-N,N-dibutylcyclohexan-1-amine;perchloric acid","","","","","","","","","","","","","","","","","","","","1-(1-Benzothiophen-2-yl)-N,N-dibutylcyclohexan-1-amine;perchloric acid","","CCCCN(CCCC)C1(CCCCC1)C2=CC3=CC=CC=C3S2.OCl(=O)(=O)=O","OALPSPFXRQCQSZ-UHFFFAOYSA-N","24202599",NA,"PDBC08230","708079","Present"
-"1-(1-Benzothiophen-2-yl)-N,N-dimethylcyclohexan-1-amine;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-(1-Benzothiophen-2-yl)-N,N-dimethylcyclohexan-1-amine;(E)-but-2-enedioic acid","","CN(C)C1(CCCCC1)C2=CC3=CC=CC=C3S2.C(=CC(=O)O)C(=O)O","QYKXDKSTFLPNKI-WLHGVMLRSA-N","5471069",NA,"PDBC08231","708081","Present"
-"1-(1-Benzothiophen-2-yl)-N-[2-(3,4-dichlorophenyl)ethyl]cyclohexan-1-amine;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-(1-Benzothiophen-2-yl)-N-[2-(3,4-dichlorophenyl)ethyl]cyclohexan-1-amine;(E)-but-2-enedioic acid","","C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NCCC4=CC(=C(C=C4)Cl)Cl.C(=CC(=O)O)C(=O)O","PMBPYYZTPYWEAX-WLHGVMLRSA-N","5471067",NA,"PDBC08232","708078","Present"
-"1-(1-Benzothiophen-2-yl)-N-methylcyclohexan-1-amine;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-(1-Benzothiophen-2-yl)-N-methylcyclohexan-1-amine;(E)-but-2-enedioic acid","","CNC1(CCCCC1)C2=CC3=CC=CC=C3S2.C(=CC(=O)O)C(=O)O","JFPAFVYNSFTGHK-WLHGVMLRSA-N","5471068",NA,"PDBC08233","708080","Present"
-"1-(1-Benzothiophen-2-yl)cycloheptan-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(Benzothiophen-2-yl)cycloheptan-1-amine hydrochloride","","C1CCCC(CC1)(C2=CC3=CC=CC=C3S2)N.Cl","AJPQFCQOIRYKFV-UHFFFAOYSA-N","398364",NA,"PDBC08234","708082","Present"
-"1-(1-Benzothiophen-2-yl)cyclopentan-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(Benzothiophen-2-yl)cyclopentan-1-amine hydrochloride","","C1CCC(C1)(C2=CC3=CC=CC=C3S2)N.Cl","BXLICONZMRVULE-UHFFFAOYSA-N","398375",NA,"PDBC08235","708089","Present"
-"1-(1-Benzoylpyrrolidin-2-yl)-2-diazo-ethanone","","","","","","","","","","","","","","","","","","","","1-(1-Benzoylpyrrolidin-2-yl)-2-diazonioethenolate","","C1CC(N(C1)C(=O)C2=CC=CC=C2)C(=O)C=[N+]=[N-]","JSKFTTQKBUBZEA-UHFFFAOYSA-N","379174",NA,"PDBC08236","663586","Present"
-"1-(1-Benzyl-1H-indol-3-yl)-2-oxo-2-(1-piperidinyl)ethanol","","","","","","","","","","","","","","","","","","","","1-(1-Benzyl-1H-indol-3-yl)-2-oxo-2-(1-piperidinyl)ethanol","","C1CCN(CC1)C(=O)C(C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)O","JOBPVBRVGAXFPX-UHFFFAOYSA-N","363409",NA,"PDBC08237","628313","Present"
-"1-(1-Benzylethylidene)-3-thiosemicarbazide","","","","","","","","","","","","","","","","","","","","NSC625222","","CC(=NNC(=S)N)CC1=CC=CC=C1","CAWKBLMEVRWTLR-XYOKQWHBSA-N","6104981",NA,"PDBC08238","625222","Present"
-"1-(1-Benzylpyridin-1-ium-3-yl)ethanol;chloride","","","","","","","","","","","","","","","","","","","","NSC648080","","CC(C1=C[N+](=CC=C1)CC2=CC=CC=C2)O.[Cl-]","VGJDDUJQULTWTH-UHFFFAOYSA-M","372631",NA,"PDBC08239","648080","Present"
-"1-(1-Chloro-1-phenylpropane-2-sulfinyl)-4-methylbenzene","","","","","","","","","","","","","","","","","","","","1-(1-Chloro-1-phenylpropane-2-sulfinyl)-4-methylbenzene","","CC1=CC=C(C=C1)S(=O)C(C)C(C2=CC=CC=C2)Cl","GJQTXBIGYCOOQE-UHFFFAOYSA-N","320156",NA,"PDBC08240","266351","Present"
-"1-(1-Hydroxy-2-methylpropan-2-yl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1h-pyridin-3-yl]urea","","CC(C)(CO)NC(=O)NC1=C(C=C(NC1=O)C2=CC=CC=C2)C(F)(F)F","UOSSKVBRFUYJPQ-UHFFFAOYSA-N","397740",NA,"PDBC08241","706163","Present"
-"1-(1-Hydroxynaphthalen-2-yl)heptan-1-one","","","","","","","","","","","","","","","","","","","","1-(1-Hydroxynaphthalen-2-yl)heptan-1-one","","CCCCCCC(=O)C1=C(C2=CC=CC=C2C=C1)O","UORFSHNNAGRJCM-UHFFFAOYSA-N","234660",NA,"PDBC08242","34949","Present"
-"1-(1-Hydroxynaphthalen-2-yl)pentan-1-one","","","","","","","","","","","","","","","","","","","","1-(1-Hydroxynaphthalen-2-yl)pentan-1-one","","CCCCC(=O)C1=C(C2=CC=CC=C2C=C1)O","HKLPRZFNZLIRFI-UHFFFAOYSA-N","234658",NA,"PDBC08243","34947","Present"
-"1-(1-Isoquinolinyl)-1-phenylethanol","","","","","","","","","","","","","","","","","","","","1-(1-Isoquinolinyl)-1-phenylethanol","","CC(C1=CC=CC=C1)(C2=NC=CC3=CC=CC=C32)O","IOKVUHVEJQSUIE-UHFFFAOYSA-N","230491",NA,"PDBC08244","25431","Present"
-"1-(1-Methoxy-1-methylethyl)-4-methyl-1-cyclohexene","","","","","","","","","","","","","","","","","","","","8-methoxy-p-menth-3-ene","","CC1CCC(=CC1)C(C)(C)OC","RSCHNGIUSXNPNV-UHFFFAOYSA-N","377296",NA,"PDBC08245","658698","Present"
-"1-(1-Methoxy-2-dimethylamino-3-phenyl-4-oxo-2-cyclobutenyl)-3,4-dihydroisoquinoline-2(1H)-carboxylic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","Tert-butyl 1-[2-(dimethylamino)-1-methoxy-4-oxo-3-phenylcyclobut-2-en-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate","","CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C3(C(=C(C3=O)C4=CC=CC=C4)N(C)C)OC","CFCIJWHBXHLKOF-UHFFFAOYSA-N","394530",NA,"PDBC08246","698075","Present"
-"1-(1-Methyl-1H-imidazol-2-yl)-2-phenyl-2-propanol","","","","","","","","","","","","","","","","","","","","1-(1-Methyl-1H-imidazol-2-yl)-2-phenyl-2-propanol","","CC(CC1=NC=CN1C)(C2=CC=CC=C2)O","NTGAQWUCYHPCTF-UHFFFAOYSA-N","304310",NA,"PDBC08247","195950","Present"
-"1-(1-Methyl-4-phenyl-4-azepanyl)ethanone","","","","","","","","","","","","","","","","","","","","Azacycloheptane, 4-acetyl-1-methyl-4-phenyl, hydrate [10:1]","","CC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2","VSAAQIAFGFUKFJ-UHFFFAOYSA-N","362090",NA,"PDBC08248","625618","Present"
-"1-(1-Methyl-4-phenyl-4-piperidinyl)-1-propanone","","","","","","","","","","","","","","","","","","","","1-(1-Methyl-4-phenyl-4-piperidinyl)-1-propanone","","CCC(=O)C1(CCN(CC1)C)C2=CC=CC=C2","MZCGFXHPRWDPSM-UHFFFAOYSA-N","343894",NA,"PDBC08249","400477","Present"
-"1-(1-Methylindol-3-yl)-2-pyridin-1-ium-1-ylethanone;iodide","","","","","","","","","","","","","","","","","","","","1-[2-(1-Methyl-1H-indol-3-yl)-2-oxoethyl]pyridinium iodide","","CN1C=C(C2=CC=CC=C21)C(=O)C[N+]3=CC=CC=C3.[I-]","IZCLUFZNHLNGHG-UHFFFAOYSA-M","372086",NA,"PDBC08250","646964","Present"
-"1-(1-Naphthylmethyl)-4-[1-(1-naphthylmethyl)-4-piperidyl]piperidine","","","","","","","","","","","","","","","","","","","","1-(1-Naphthylmethyl)-4-[1-(1-naphthylmethyl)-4-piperidyl]piperidine","","C1CN(CCC1C2CCN(CC2)CC3=CC=CC4=CC=CC=C43)CC5=CC=CC6=CC=CC=C65","NMZQKJNXVWZWES-UHFFFAOYSA-N","364095",NA,"PDBC08251","629736","Present"
-"1-(1-Naphthylmethylene)-4-(1-naphthyl)semicarbazide","","","","","","","","","","","","","","","","","","","","1-(1-Naphthylmethylene)-4-(1-naphthyl)semicarbazide","","C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)NC3=CC=CC4=CC=CC=C43","KCIYPIOXTPXJDX-HAHDFKILSA-N","5859414",NA,"PDBC08252","680931","Present"
-"1-(1-Naphthylmethylene)-4-[3-(dimethylamino)propyl]semicarbazide","","","","","","","","","","","","","","","","","","","","1-(1-Naphthylmethylene)-4-[3-(dimethylamino)propyl]semicarbazide","","CN(C)CCCNC(=O)NN=CC1=CC=CC2=CC=CC=C21","NFKUNAGXQKWESX-UYRXBGFRSA-N","5744459",NA,"PDBC08253","662263","Present"
-"1-(1-Naphthylmethylene)-4-phenylsemicarbazide","","","","","","","","","","","","","","","","","","","","1-(1-Naphthylmethylene)-4-phenylsemicarbazide","","C1=CC=C(C=C1)NC(=O)NN=CC2=CC=CC3=CC=CC=C32","GQWOEGOKMIPXJO-UYRXBGFRSA-N","5411004",NA,"PDBC08254","671925","Present"
-"1-(1-Phenylpyrrolidin-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(1-Phenyl-3-pyrrolidinyl)ethanone","","CC(=O)C1CCN(C1)C2=CC=CC=C2","JEXPPVCJAPFMKH-UHFFFAOYSA-N","357953",NA,"PDBC08255","617626","Present"
-"1-(1-Propylbenzimidazol-2-yl)-N,N-bis[(1-propylbenzimidazol-2-yl)methyl]methanamine","","","","","","","","","","","","","","","","","","","","1-(1-Propylbenzimidazol-2-yl)-N,N-bis[(1-propylbenzimidazol-2-yl)methyl]methanamine","","CCCN1C2=CC=CC=C2N=C1CN(CC3=NC4=CC=CC=C4N3CCC)CC5=NC6=CC=CC=C6N5CCC","KIHQMDIBTPBWQM-UHFFFAOYSA-N","402477",NA,"PDBC08256","716501","Present"
-"1-(1-Tert-butylazetidin-2-yl)methanamine","","","","","","","","","","","","","","","","","","","","1-(1-Tert-butylazetidin-2-yl)methanamine","","CC(C)(C)N1CCC1CN","FPTNQKRYZXLXLB-UHFFFAOYSA-N","282395",NA,"PDBC08257","135857","Present"
-"1-(10,10-Dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-3-trimethylsilylbutan-1-one","","","","","","","","","","","","","","","","","","","","1-(10,10-Dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-3-trimethylsilylbutan-1-one","","CC(CC(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O)[Si](C)(C)C","PGWOBVRIBXLYFJ-UHFFFAOYSA-N","385581",NA,"PDBC08258","676874","Present"
-"1-(10,13-Dioxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-yl)-N,N-dimethylmethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC664692///NSC664693","","CN(C)CC1COC2CC3=CC=CC=C3C1O2.Cl","UUIYWFKSWZMKCG-UHFFFAOYSA-N","379717",NA,"PDBC08259","664692///664693","Present"
-"1-(10H-Phenothiazin-10-yl)-2-propanol methanesulfonate","","","","","","","","","","","","","","","","","","","","1-(10H-Phenothiazin-10-yl)-2-propanol methanesulfonate","","CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)O.CS(=O)(=O)O","CCXJLCOYRRSRBF-UHFFFAOYSA-N","377557",NA,"PDBC08260","659125","Present"
-"1-(12h-Benzo[a]phenoxazin-12-yl)-2-chloroethanone","","","","","","","","","","","","","","","","","","","","1-(12h-Benzo[a]phenoxazin-12-yl)-2-chloroethanone","","C1=CC=C2C(=C1)C=CC3=C2N(C4=CC=CC=C4O3)C(=O)CCl","FNYDMTZOMCTUJV-UHFFFAOYSA-N","247104",NA,"PDBC08261","60898","Present"
-"1-(13-Sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperidine","","","","","","","","","","","","","","","","","","","","1-(13-Sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperidine","","C1CCN(CC1)P2(=S)OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65","USTFXPGEYDKDOL-UHFFFAOYSA-N","360390",NA,"PDBC08262","622455","Present"
-"1-(1H-Benzimidazol-2-yl)-3,5,5-trimethylimidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-(1H-Benzimidazol-2-yl)-3,5,5-trimethylimidazolidine-2,4-dione","","CC1(C(=O)N(C(=O)N1C2=NC3=CC=CC=C3N2)C)C","RPSKTZSRNVEYPJ-UHFFFAOYSA-N","369157",NA,"PDBC08263","640746","Present"
-"1-(1H-Benzimidazol-2-yl)-5,5-dimethyl-3-phenylimidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-(1H-Benzimidazol-2-yl)-5,5-dimethyl-3-phenylimidazolidine-2,4-dione","","CC1(C(=O)N(C(=O)N1C2=NC3=CC=CC=C3N2)C4=CC=CC=C4)C","WNQWEAMLJSESSR-UHFFFAOYSA-N","370573",NA,"PDBC08264","643818","Present"
-"1-(1H-Benzotriazol-1-yl)-2-(diphenylamino)-1-propanone","","","","","","","","","","","","","","","","","","","","1-(1H-Benzotriazol-1-yl)-2-(diphenylamino)propan-1-one","","CC(C(=O)N1C2=CC=CC=C2N=N1)N(C3=CC=CC=C3)C4=CC=CC=C4","LRFFERGRTBINMU-UHFFFAOYSA-N","375093",NA,"PDBC08265","654106","Present"
-"1-(1H-Benzotriazol-1-yl)-2-(diphenylamino)ethanone","","","","","","","","","","","","","","","","","","","","1-(1H-Benzotriazol-1-yl)-2-(diphenylamino)ethanone","","C1=CC=C(C=C1)N(CC(=O)N2C3=CC=CC=C3N=N2)C4=CC=CC=C4","ZDNPIBGXEWTIJR-UHFFFAOYSA-N","375092",NA,"PDBC08266","654105","Present"
-"1-(1H-Indazol-3-yl)-1,3-dihydro-benzoimidazol-2-one","","","","","","","","","","","","","","","","","","","","1-(1H-indazol-3-yl)-1,3-dihydro-benzoimidazol-2-one","","C1=CC=C2C(=C1)C(=NN2)N3C4=CC=CC=C4NC3=O","GOVWKHQAFOWYCU-UHFFFAOYSA-N","23279830",NA,"PDBC08267","741615","Present"
-"1-(1H-Indazol-3-yl)-3-(4-methoxyphenyl)urea","","","","","","","","","","","","","","","","","","","","1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea","","COC1=CC=C(C=C1)NC(=O)NC2=NNC3=CC=CC=C32","RUUAKWKBFMFTBO-UHFFFAOYSA-N","25197519",NA,"PDBC08268","742798","Present"
-"1-(1H-Indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea","","","","","","","","","","","","","","","","","","","","1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea","","C1=CC=C2C(=C1)C(=NN2)NC(=O)NC3=CC=CC=C3OC(F)(F)F","LFHBWBDLAQDCMK-UHFFFAOYSA-N","25197926",NA,"PDBC08269","742797","Present"
-"1-(1H-Indol-3-ylacetyl)-2-piperidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-(1H-Indol-3-ylacetyl)-2-piperidinecarboxylic acid","","C1CCN(C(C1)C(=O)O)C(=O)CC2=CNC3=CC=CC=C32","ZZOITYJHNASTDK-UHFFFAOYSA-N","396992",NA,"PDBC08270","704229","Present"
-"1-(1H-Indol-3-ylmethyl)proline","","","","","","","","","","","","","","","","","","","","ChemDiv3_006803","","C1CC(N(C1)CC2=CNC3=CC=CC=C32)C(=O)O","RWRSTSPQXGSPJT-UHFFFAOYSA-N","264622",NA,"PDBC08271","99785","Present"
-"1-(1H-Tetrazol-5-yl)pentane-1,2,3,4,5-pentol","","","","","","","","","","","","","","","","","","","","5-[D-gluco-pentitol-1-yl]tetrazole///5-[D-manno-pentitol-1-yl]tetrazole","","C(C(C(C(C(C1=NNN=N1)O)O)O)O)O","VPUGXNYOCIAXLS-UHFFFAOYSA-N","329517",NA,"PDBC08272","624279///624280","Present"
-"1-(1H-[1]Benzothieno[3,2-b]pyrrol-2-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(1H-[1]Benzothieno[3,2-b]pyrrol-2-yl)ethanone","","CC(=O)C1=CC2=C(N1)C3=CC=CC=C3S2","SFXNENCYXAEMQS-UHFFFAOYSA-N","392642",NA,"PDBC08273","693221","Present"
-"1-(2'-Deoxy-2'-fluoro-D-arabinofuranosyl)-1,2-pyrimidine-2-one","","","","","","","","","","","","","","","","","","","","1-(2'-Deoxy-2'-fluoro-D-arabinofuranosyl)- 1,2-pyrimidin...///1-(2-Deoxy-2-fluoro-.alpha.-D-arabinofuranosyl)-1,2- pyr...","","C1=CN(C(=O)N=C1)C2C(C(C(O2)CO)O)F","WQIKHPATWLOZFO-UHFFFAOYSA-N","361920",NA,"PDBC08274","625355///625772","Present"
-"1-(2'6'-Difluorobenzoyl)-3-[3'-(5''-chloro-2''-Pyrimidinyloxy)phenyl]urea","","","","","","","","","","","","","","","","","","","","1-(2'6'-difluorobenzoyl)-3-[3'-(5''-chloro-2''-Pyrimidin...","","C1=CC(=CC(=C1)OC2=NC=C(C=N2)Cl)NC(=O)NC(=O)C3=C(C=CC=C3F)F","OURVGFASBSXJLK-UHFFFAOYSA-N","353513",NA,"PDBC08275","602022","Present"
-"1-(2, Phosphoric acid","","","","","","","","","","","","","","","","","","","","1-(2,8 -is(trifluoromethyl)quinolin-4-yl)-3-(tert-butyla...","","CC(C)(C)NCCC(C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F)O.OP(=O)(O)O","VJZWDKXYFVTRRS-UHFFFAOYSA-N","328154",NA,"PDBC08276","305819","Present"
-"1-(2,2,4,4-Tetraisopropyl-9-(phenylseleno)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","Uridine, 3',5'-O,O'-[oxybis[bis(1-methylethyl)silyl]- 2'...","","CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=O)NC3=O)[Se]C4=CC=CC=C4)O[Si](O1)(C(C)C)C(C)C)C(C)C","YSAXPVLTIPIEPT-UHFFFAOYSA-N","387259",NA,"PDBC08277","680840","Present"
-"1-(2,2,6,6-Tetramethyl-dihydro-furo[2,3-d","","","","","","","","","","","","","","","","","","","","4,5-d']bis[1,3]dioxol-3a-yl)-propan-1-one","","CCC(=O)C12C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C","NPPQISHKOLPBOC-UHFFFAOYSA-N","361363",NA,"PDBC08278","624389","Present"
-"1-(2,2-Bis(methylsulfonyl)vinyl)-2-chlorobenzene","","","","","","","","","","","","","","","","","","","","NSC664334","","CS(=O)(=O)C(=CC1=CC=CC=C1Cl)S(=O)(=O)C","GQHXBWDUVIQEHA-UHFFFAOYSA-N","299601",NA,"PDBC08279","664334","Present"
-"1-(2,2-Dicyanovinyl)-3-[4-(thiazol-2-ylsulfamoyl)phenyl]thiourea","","","","","","","","","","","","","","","","","","","","1-(2,2-Dicyanovinyl)-3-[4-(thiazol-2-ylsulfamoyl)phenyl]thiourea","","C1=CC(=CC=C1NC(=S)NC=C(C#N)C#N)S(=O)(=O)NC2=NC=CS2","XWFGWXQZUMVIJX-UHFFFAOYSA-N","3000878",NA,"PDBC08280","658323","Present"
-"1-(2,2-Diethoxyethyl)-3-dodecylurea","","","","","","","","","","","","","","","","","","","","LS-159770","","CCCCCCCCCCCCNC(=O)NCC(OCC)OCC","QACMUCLEWICCOW-UHFFFAOYSA-N","377634",NA,"PDBC08281","659213","Present"
-"1-(2,2-Dimethylcyclohexyl)-6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)-1-hexen-3-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","(E,4Z)-6-(2,2-Dimethylcyclohexyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]-1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-2-ol","","CC1(CCCCC1C=CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(C(F)(F)F)(C(F)(F)F)O)C","IVIYVFDVKAIWGC-UBSQDUIPSA-N","5807779",NA,"PDBC08282","664343","Present"
-"1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-2,3-dihydro-1H-indol-5-yl acetate","","","","","","","","","","","","","","","","","","","","1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-2,3-dihydro-1H-indol-5-yl acetate","","CC1=CC2=C(C(=C1OC(=O)C)C)C(CN2C(=O)C(C)(C)C)(C)C","RIHNNHDYYBINAD-UHFFFAOYSA-N","382328",NA,"PDBC08283","669797","Present"
-"1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-5-indolinol","","","","","","","","","","","","","","","","","","","","1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-5-indolinol","","CC1=CC2=C(C(=C1O)C)C(CN2C(=O)C(C)(C)C)(C)C","FXWDWMOUPSIZLD-UHFFFAOYSA-N","382329",NA,"PDBC08284","669798","Present"
-"1-(2,2-Dimethylpropanoyl)-3,4,6,7-tetramethyl-1H-indol-5-ol","","","","","","","","","","","","","","","","","","","","1-(2,2-Dimethylpropanoyl)-3,4,6,7-tetramethyl-1H-indol-5-ol","","CC1=CN(C2=C1C(=C(C(=C2C)C)O)C)C(=O)C(C)(C)C","DRWPEPWTQYJGTN-UHFFFAOYSA-N","382331",NA,"PDBC08285","669800","Present"
-"1-(2,2-Dimethylpropyl)-3-[(4-phenyltriazol-1-yl)methyl]urea","","","","","","","","","","","","","","","","","","","","1-(2,2-Dimethylpropyl)-3-[(4-phenyltriazol-1-yl)methyl]urea","","CC(C)(C)CNC(=O)NCN1C=C(N=N1)C2=CC=CC=C2","UVLUOEYKCOENGY-UHFFFAOYSA-N","386630",NA,"PDBC08286","679084","Present"
-"1-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one","","","","","","","","","","","","","","","","","","","","1-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one","","C1=CC=C2C(=C1)NC(=O)N2C(=O)C3=C(C(=C(C(=C3F)F)F)F)F","PGTWONJBDFEPBE-UHFFFAOYSA-N","383503",NA,"PDBC08287","671888","Present"
-"1-(2,3,4,5,6-Pentafluorophenyl)-1,2-diphenyl-1,2-hexanediol","","","","","","","","","","","","","","","","","","","","1-(2,3,4,5,6-Pentafluorophenyl)-1,2-diphenyl-1,2-hexanediol","","CCCCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)(C3=C(C(=C(C(=C3F)F)F)F)F)O)O","HTVPDYDMQDWRDO-UHFFFAOYSA-N","376270",NA,"PDBC08288","656977","Present"
-"1-(2,3,4-Tri-o-acetylpentopyranosyl)-2,3-dihydro-1h-indole","","","","","","","","","","","","","","","","","","","","NSC649072///NSC649157","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2CCC3=CC=CC=C32","ISGJRBJTSWZLTA-UHFFFAOYSA-N","373130",NA,"PDBC08289","649072///649157","Present"
-"1-(2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]naphthalen-4-yl)-2-hydroxy-2-methoxyethanone","","","","","","","","","","","","","","","","","","","","1-(2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]naphthalen-4-yl)-2-hydroxy-2-methoxyethanone","","COC(C(=O)C1=C2CCCCC2=CC3=C1CCC3)O","AUUXUCBGHPMKOM-UHFFFAOYSA-N","382666",NA,"PDBC08290","670314","Present"
-"1-(2,3-Dichloro-4,6-disulfamoylphenyl)-3-(3,4-dichlorophenyl)urea","","","","","","","","","","","","","","","","","","","","1-(5,6-Dichloro-2,4-disulfamoylphenyl)-3-(3,4-dichlorophenyl)urea","","C1=CC(=C(C=C1NC(=O)NC2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl)Cl)Cl)Cl","JTAPTZHOGDIFQE-UHFFFAOYSA-N","396507",NA,"PDBC08291","702692","Present"
-"1-(2,3-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,3-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C(=CC=C4)Cl)Cl","LYYXOZRAOOIZED-UHFFFAOYSA-N","362002",NA,"PDBC08292","625481","Present"
-"1-(2,3-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,3-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C(=CC=C4)F)F","NMLUJMIARWELJM-UHFFFAOYSA-N","362005",NA,"PDBC08293","625484","Present"
-"1-(2,3-Dihydroxybenzyl)-2-(2,3-dihydroxyphenyl)-1H-benzoimidazole","","","","","","","","","","","","","","","","","","","","1-(2,3-dihidroxybenzyl)-2-(2,3-dihydroxyphenyl)-benzimid...","","C1=CC=C2C(=C1)N=C(N2CC3=C(C(=CC=C3)O)O)C4=C(C(=CC=C4)O)O","WMSBOLVSPZBVFF-UHFFFAOYSA-N","135585440",NA,"PDBC08294","728196","Present"
-"1-(2,3-Dimethoxybenzoyl)-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","","","","","","","","","","","","","","","","","","","1-(2,3-Dimethoxybenzoyl)-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","CN1CCC2=CC=CC=C2C(C1=O)C(=O)C3=C(C(=CC=C3)OC)OC","HJYDWTPCWUUMKO-UHFFFAOYSA-N","368733",NA,"PDBC08295","639866","Present"
-"1-(2,3-Dimethoxybenzoyl)-7,8-dimethoxy-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","","","","","","","","","","","","","","","","","","","1-(2,3-Dimethoxybenzoyl)-7,8-dimethoxy-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","CN1CCC2=CC(=C(C=C2C(C1=O)C(=O)C3=C(C(=CC=C3)OC)OC)OC)OC","IQEXAOHIJTWUEL-UHFFFAOYSA-N","368731",NA,"PDBC08296","639864","Present"
-"1-(2,3-Dimethoxybenzoyl)indoline","","","","","","","","","","","","","","","","","","","","1-(2,3-Dimethoxybenzoyl)indoline","","COC1=CC=CC(=C1OC)C(=O)N2CCC3=CC=CC=C32","AWLWIOHTOUQMTJ-UHFFFAOYSA-N","362988",NA,"PDBC08297","627516","Present"
-"1-(2,4,4-Trichloro-but-3-en-1-o ne","","","","","","","","","","","","","","","","","","","","1-(2,4-dichloro-5-methylphenyl)-3,4,4-trichloro-but-3-en...","","CC1=CC(=C(C=C1Cl)Cl)C(=O)CC(=C(Cl)Cl)Cl","OHNAYKGHCPWPME-UHFFFAOYSA-N","405827",NA,"PDBC08298","723514","Present"
-"1-(2,4,6-Trihydroxyphenyl)dodecane-1,3-dione","","","","","","","","","","","","","","","","","","","","VWQIMTPOWSXEQL-UHFFFAOYSA-N","","CCCCCCCCCC(=O)CC(=O)C1=C(C=C(C=C1O)O)O","VWQIMTPOWSXEQL-UHFFFAOYSA-N","389030",NA,"PDBC08299","684576","Present"
-"1-(2,4-Dichloro-phenyl)-3-[4-(3-trifluoromethyl-phenyl)-pipe razin-1-yl]-propenone","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichloro-phenyl)-3-[4-(3-trifluoromethyl-phenyl)-...","","C1CN(CCN1C=CC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC(=C3)C(F)(F)F","SLYVPOZHJCOETN-VOTSOKGWSA-N","5473323",NA,"PDBC08300","725060","Present"
-"1-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile","","CC1=CC2=C(C(=C1C)C#N)N(N=C2C)CC3=C(C=C(C=C3)Cl)Cl","VPIYJNUXQLMYJP-UHFFFAOYSA-N","367589",NA,"PDBC08301","637421","Present"
-"1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-(1H-1,2,4-triazol-1-ylmethyl)ethyl acetate","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-(1H-1,2,4-triazol-1-ylmethyl)ethyl acetate","","CC(=O)OC(CN1C=NC=N1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl","GIJAQKGBIJOEMS-UHFFFAOYSA-N","377231",NA,"PDBC08302","658472","Present"
-"1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-(1H-1,2,4-triazol-1-ylmethyl)ethyl dimethylcarbamate","","","","","","","","","","","","","","","","","","","","[2-(2,4-Dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] N,N-dimethylcarbamate","","CN(C)C(=O)OC(CN1C=NC=N1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl","ZPOAKKSWKCIORL-UHFFFAOYSA-N","377232",NA,"PDBC08303","658473","Present"
-"1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl dimethylcarbamate","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl dimethylcarbamate","","CN(C)C(=O)OC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl","YALBRKSKLNWHRS-UHFFFAOYSA-N","368168",NA,"PDBC08304","638586","Present"
-"1-(2,4-Dichlorophenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2(1H)-one","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichlorophenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2(1H)-one","","C1C2C(=NC3=CC=CC=C3S2)N(C1=O)C4=C(C=C(C=C4)Cl)Cl","AEZSWNUDTXEHKB-UHFFFAOYSA-N","365147",NA,"PDBC08305","632248","Present"
-"1-(2,4-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=C(C=C4)Cl)Cl","HXSGDSWWWGAFBV-UHFFFAOYSA-N","362001",NA,"PDBC08306","625480","Present"
-"1-(2,4-Dichlorophenyl)-4-methylpent-1-en-3-one","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichlorophenyl)-4-methylpent-1-en-3-one","","CC(C)C(=O)C=CC1=C(C=C(C=C1)Cl)Cl","WNKJKMDXSFFUMM-GQCTYLIASA-N","5906743",NA,"PDBC08307","669738","Present"
-"1-(2,4-Dichlorophenyl)-N-[2-[2-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]ethyl-methylamino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichlorophenyl)-N-[2-[2-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]ethyl-methylamino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide","","CN(CCNC(=O)C1=NN(C2=C1CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)CCNC(=O)C5=NN(C6=C5CC7=CC=CC=C76)C8=C(C=C(C=C8)Cl)Cl","PVIPVMAFOPCNHR-UHFFFAOYSA-N","399548",NA,"PDBC08308","710412","Present"
-"1-(2,4-Dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]propyl-methylamino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]propyl-methylamino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide","","CN(CCCNC(=O)C1=NN(C2=C1CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)CCCNC(=O)C5=NN(C6=C5CC7=CC=CC=C76)C8=C(C=C(C=C8)Cl)Cl","QVFFQVGESPHDCZ-UHFFFAOYSA-N","399551",NA,"PDBC08309","710415","Present"
-"1-(2,4-Dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)benzo[g]indazole-3-carbonyl]amino]propyl-methylamino]propyl]benzo[g]indazole-3-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(2,4-Dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)benzo[g]indazole-3-carbonyl]amino]propyl-methylamino]propyl]benzo[g]indazole-3-carboxamide;hydrochloride","","CN(CCCNC(=O)C1=NN(C2=C1C=CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)CCCNC(=O)C5=NN(C6=C5C=CC7=CC=CC=C76)C8=C(C=C(C=C8)Cl)Cl.Cl","MNWMXZCFRBADSG-UHFFFAOYSA-N","402070",NA,"PDBC08310","715766","Present"
-"1-(2,4-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,4-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=C(C=C4)F)F","BPINTACQFVWBBA-UHFFFAOYSA-N","362006",NA,"PDBC08311","625485","Present"
-"1-(2,4-Dihydroxyphenyl)-1,3-dodecanedione","","","","","","","","","","","","","","","","","","","","ZYOCOAHYGMHHQS-UHFFFAOYSA-N","","CCCCCCCCCC(=O)CC(=O)C1=C(C=C(C=C1)O)O","ZYOCOAHYGMHHQS-UHFFFAOYSA-N","365027",NA,"PDBC08312","631962","Present"
-"1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","1-(2,4-DIHYDROXYPHENYL)-2-(4-METHOXYPHENYL)ETHANONE","","COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O","XHBZOAYMBBUURD-UHFFFAOYSA-N","259632",NA,"PDBC08313","89759","Present"
-"1-(2,4-Dimethoxyphenyl)-3-(4-((10-(4-(3-(3,4-dimethoxyphenyl)-3-oxo-1-propenyl)phenoxy)decyl)oxy)phenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[10-[4-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenoxy]decoxy]phenyl]prop-2-en-1-one","","COC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCCCCCCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC(=C(C=C4)OC)OC)OC","VDLPOXWIQQDDGZ-HEPXYTLMSA-N","5467691",NA,"PDBC08314","657873","Present"
-"1-(2,4-Dimethylphenyl)-2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(2,4-Dimethylphenyl)-2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)ethanone","","CC1=CC(=C(C=C1)C(=O)CC2=NC3=C(C(=NN3C4=CC=CC=C4)C)NC2=O)C","IUSAJNXVGUUIGV-UHFFFAOYSA-N","378931",NA,"PDBC08315","662439","Present"
-"1-(2,4-Disulfamoylphenyl)-3-(4-methylphenyl)sulfonylurea","","","","","","","","","","","","","","","","","","","","1-(2,4-Disulfamoylphenyl)-3-(p-tolylsulfonyl)urea","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)S(=O)(=O)N","HZCIUEQHULUTSW-UHFFFAOYSA-N","396508",NA,"PDBC08316","702693","Present"
-"1-(2,5,6,11-Tetramethylpyrido[4,3-b]carbazol-2-ium-9-yl)ethanone;iodide","","","","","","","","","","","","","","","","","","","","1-(2,5,6,11-Tetramethylpyrido[4,3-b]carbazol-2-ium-9-yl)ethanone;iodide","","CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=C3C=C(C=C4)C(=O)C)C)C)C.[I-]","HHEQXSRBVOUADZ-UHFFFAOYSA-M","356564",NA,"PDBC08317","612941","Present"
-"1-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-en-1-one","","C=CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2","GFTQASVZKKIMHH-UHFFFAOYSA-N","375484",NA,"PDBC08318","655266","Present"
-"1-(2,5-Dichlorobenzoyl)-4-(3,4-dichlorophenyl)piperazine","","","","","","","","","","","","","","","","","","","","1-(2,5-Dichlorobenzoyl)-4-(3,4-dichlorophenyl)piperazine","","C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=C(C=CC(=C3)Cl)Cl","FSOOSFAWPYBMSB-UHFFFAOYSA-N","386374",NA,"PDBC08319","678258","Present"
-"1-(2,5-Dichlorophenyl)-3-[3-[4-[3-[(2,5-dichlorophenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea","","","","","","","","","","","","","","","","","","","","1-(2,5-dichlorophenyl)-3-[3-[4-[3-[(2,5-dichlorophenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea","","C1CN(CCN1CCCNC(=O)NC2=C(C=CC(=C2)Cl)Cl)CCCNC(=O)NC3=C(C=CC(=C3)Cl)Cl","FVAVFZKHLXCGKM-UHFFFAOYSA-N","261646",NA,"PDBC08320","94510","Present"
-"1-(2,5-Dichlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","1-(2,5-Dichlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine","","CC1(N=C(N=C(N1C2=C(C=CC(=C2)Cl)Cl)N)N)C","NSPSLCYVKZBTBT-UHFFFAOYSA-N","293763",NA,"PDBC08321","160893","Present"
-"1-(2,5-Dichlorophenyl)sulfonylimidazole","","","","","","","","","","","","","","","","","","","","Cambridge id 5510046","","C1=CC(=C(C=C1Cl)S(=O)(=O)N2C=CN=C2)Cl","VDMADHIGYMZGRG-UHFFFAOYSA-N","403027",NA,"PDBC08322","717500","Present"
-"1-(2,5-Dichlorophenyl)thiourea","","","","","","","","","","","","","","","","","","","","Maybridge1_007198","","C1=CC(=C(C=C1Cl)NC(=S)N)Cl","UQCOANNCPUOZNW-UHFFFAOYSA-N","2731095",NA,"PDBC08323","635820","Present"
-"1-(2,5-Dichlorophenylazo)naphthalene-2-ol","","","","","","","","","","","","","","","","","","","","1-(2,5-Dichlorophenylazo)naphthalene-2-ol","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)Cl)O","CPCATQXQIUSTRT-UHFFFAOYSA-N","251091",NA,"PDBC08324","71264","Present"
-"1-(2,5-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,5-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC(=C4)F)F","LSTDRGOUIBTZHD-UHFFFAOYSA-N","362007",NA,"PDBC08325","625486","Present"
-"1-(2,5-Dimethoxyphenyl)-3-methylidenebutane-1,4-diol","","","","","","","","","","","","","","","","","","","","1-(2,5-Dimethoxyphenyl)-3-methylidenebutane-1,4-diol","","COC1=CC(=C(C=C1)OC)C(CC(=C)CO)O","MWNOMACJLNAVLF-UHFFFAOYSA-N","358355",NA,"PDBC08326","618322","Present"
-"1-(2,5-Dimethylphenyl)-4,7-dimethyl-1H-indole-2,3-dione","","","","","","","","","","","","","","","","","","","","1-(2,5-Dimethylphenyl)-4,7-dimethyl-1H-indole-2,3-dione","","CC1=CC(=C(C=C1)C)N2C3=C(C=CC(=C3C(=O)C2=O)C)C","VKVUCQMRRVKFNV-UHFFFAOYSA-N","348748",NA,"PDBC08327","408215","Present"
-"1-(2,5-Dioxo-1-phenyl-3-pyrrolidinyl)-2-oxocyclohexanecarbonitrile","","","","","","","","","","","","","","","","","","","","1-(2,5-Dioxo-1-phenyl-3-pyrrolidinyl)-2-oxocyclohexanecarbonitrile","","C1CCC(C(=O)C1)(C#N)C2CC(=O)N(C2=O)C3=CC=CC=C3","UYYXZAWHOKHEEU-UHFFFAOYSA-N","362458",NA,"PDBC08328","626405","Present"
-"1-(2,6-Di-tert-butyl-4-methoxyphenyl) 4-(2-(hydroxy(oxido)amino)vinyl) 2-butenedioate","","","","","","","","","","","","","","","","","","","","1-(2,6-Di-tert-butyl-4-methoxyphenyl) 4-(2-(hydroxy(oxido)amino)vinyl) 2-butenedioate","","CC(C)(C)C1=CC(=CC(=C1OC(=O)C=CC(=O)OC=C[N+](=O)[O-])C(C)(C)C)OC","ZVTXJIHHTKOISF-BNFZFUHLSA-N","5470340",NA,"PDBC08329","699787","Present"
-"1-(2,6-Dichlorophenyl)-2-indolinone","","","","","","","","","","","","","","","","","","","","Diclofenac Amide","","C1C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Cl)Cl","JCICIFOYVSPMHG-UHFFFAOYSA-N","27211",NA,"PDBC08330","621845","Present"
-"1-(2,6-Dichlorophenyl)-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(2,6-Dichlorophenyl)-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline","","C1C2=CC=CC=C2N=C3N1C(SC3)C4=C(C=CC=C4Cl)Cl","QSCYDJMUSNZHNV-UHFFFAOYSA-N","395894",NA,"PDBC08331","700989","Present"
-"1-(2,6-Dichlorophenyl)-4-methylpent-1-en-3-one","","","","","","","","","","","","","","","","","","","","1-(2,6-Dichlorophenyl)-4-methylpent-1-en-3-one","","CC(C)C(=O)C=CC1=C(C=CC=C1Cl)Cl","LMUXWATZTPXMQG-VOTSOKGWSA-N","5817094",NA,"PDBC08332","669739","Present"
-"1-(2,6-Dichlorophenyl)-6,7-difluoro-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Dichlorophenyl)-6,7-difluoro-3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC(=C(C=C3N2C(S1)C4=C(C=CC=C4Cl)Cl)F)F","PJLIXBWBUQRGNL-UHFFFAOYSA-N","395916",NA,"PDBC08333","701011","Present"
-"1-(2,6-Dichlorophenyl)-6-(trifluoromethyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Dichlorophenyl)-6-(trifluoromethyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=CC(=C3)C(F)(F)F","GZARGHUGNWSSIA-UHFFFAOYSA-N","395906",NA,"PDBC08334","701001","Present"
-"1-(2,6-Dichlorophenyl)-6-fluoro-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Dichlorophenyl)-6-fluoro-3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=CC(=C3)F","DVFPFDHTFCJOTK-UHFFFAOYSA-N","395914",NA,"PDBC08335","701009","Present"
-"1-(2,6-Dichlorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichloropheny...","","COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4Cl)Cl","GYCGPAKNEADXKK-UHFFFAOYSA-N","396042",NA,"PDBC08336","701314","Present"
-"1-(2,6-Dichlorophenyl)-7-(trifluoromethyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Dichlorophenyl)-7-(trifluoromethyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)C(F)(F)F","RVMHGNPBTCTMID-UHFFFAOYSA-N","395905",NA,"PDBC08337","701000","Present"
-"1-(2,6-Dichlorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Dichlorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)C(=O)C5=CC=CC=C5","VYPGAZQJNTXJSS-UHFFFAOYSA-N","395909",NA,"PDBC08338","701004","Present"
-"1-(2,6-Dichlorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Dichlorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)F","BBAZKTBJJLEVBN-UHFFFAOYSA-N","395913",NA,"PDBC08339","701008","Present"
-"1-(2,6-Dichlorophenyl)-7-methoxy-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Dichlorophenyl)-7-methoxy-3H-thiazolo[3,4-a]benzimidazole","","COC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4Cl)Cl","CNSSBTHBGFLIDJ-UHFFFAOYSA-N","396041",NA,"PDBC08340","701313","Present"
-"1-(2,6-Difluoro-benzyl)-2-(2,6-difluoro-phenyl)-5,6-dimethyl-1H-benzoimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-5,6-dimeth...","","CC1=CC2=C(C=C1C)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F","MVZXSBJQFHXYTI-UHFFFAOYSA-N","404172",NA,"PDBC08341","720324","Present"
-"1-(2,6-Difluorophenyl)-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline","","C1C2=CC=CC=C2N=C3N1C(SC3)C4=C(C=CC=C4F)F","IGIRSLLURDRTQA-UHFFFAOYSA-N","395893",NA,"PDBC08342","700988","Present"
-"1-(2,6-Difluorophenyl)-3H-thiazolo[3,4-a]benzimidazol-6-amine","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-3H-thiazolo[3,4-a]benzimidazol-6-amine","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)N","RRXJQLCVJKJPCT-UHFFFAOYSA-N","387532",NA,"PDBC08343","681442","Present"
-"1-(2,6-Difluorophenyl)-3H-thiazolo[3,4-a]benzimidazol-7-amine","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-3H-thiazolo[3,4-a]benzimidazol-7-amine","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)N","KVJQFWZBQQKNRC-UHFFFAOYSA-N","387531",NA,"PDBC08344","681441","Present"
-"1-(2,6-Difluorophenyl)-6,7-difluoro-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-6,7-difluoro-3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC(=C(C=C3N2C(S1)C4=C(C=CC=C4F)F)F)F","BIZXFFWRCXLUBD-UHFFFAOYSA-N","395915",NA,"PDBC08345","701010","Present"
-"1-(2,6-Difluorophenyl)-6,7-dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-6,7-dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","CC1=CC2=C(C=C1C)N3C(SCC3=N2)C4=C(C=CC=C4F)F","HCPAEUVAOSHABF-UHFFFAOYSA-N","382387",NA,"PDBC08346","669945","Present"
-"1-(2,6-Difluorophenyl)-6-benzoyl-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-6-benzoyl-3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)C(=O)C5=CC=CC=C5","WJUHVBVFHBPSDT-UHFFFAOYSA-N","395908",NA,"PDBC08347","701003","Present"
-"1-(2,6-Difluorophenyl)-6-fluoro-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-6-fluoro-3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)F","XKQKZYHNFBUGJV-UHFFFAOYSA-N","395912",NA,"PDBC08348","701007","Present"
-"1-(2,6-Difluorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole","","COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4F)F","WJJYGBIUIMGVKQ-UHFFFAOYSA-N","395887",NA,"PDBC08349","700982","Present"
-"1-(2,6-Difluorophenyl)-6-nitro-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-6-nitro-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)[N+](=O)[O-]","XFSVWDXHQYTGIA-UHFFFAOYSA-N","384822",NA,"PDBC08350","675274","Present"
-"1-(2,6-Difluorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)C(=O)C5=CC=CC=C5","XJUKFRBRABNBTR-UHFFFAOYSA-N","395907",NA,"PDBC08351","701002","Present"
-"1-(2,6-Difluorophenyl)-7-chloro-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-7-chloro-3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)Cl","AYHMQULRXBSYMV-UHFFFAOYSA-N","384824",NA,"PDBC08352","675276","Present"
-"1-(2,6-Difluorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)F","CXNXTBCOHWUASW-UHFFFAOYSA-N","395911",NA,"PDBC08353","701006","Present"
-"1-(2,6-Difluorophenyl)-7-methoxy-1,3-dihydrothiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2,6-Difluorophenyl)-7-methoxy-1H,3H-thiazolo[3,4-a]benzimidazole","","COC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4F)F","BEBGSZSUIZBEOW-UHFFFAOYSA-N","395888",NA,"PDBC08354","700983","Present"
-"1-(2,6-Dihydroxyphenyl)-1,3-dodecanedione","","","","","","","","","","","","","","","","","","","","AUHAWSBUTWMGGC-UHFFFAOYSA-N","","CCCCCCCCCC(=O)CC(=O)C1=C(C=CC=C1O)O","AUHAWSBUTWMGGC-UHFFFAOYSA-N","365025",NA,"PDBC08355","631960","Present"
-"1-(2,6-Dihydroxyphenyl)-1,3-hexadecanedione","","","","","","","","","","","","","","","","","","","","UXSXORUDTPCRAY-UHFFFAOYSA-N","","CCCCCCCCCCCCCC(=O)CC(=O)C1=C(C=CC=C1O)O","UXSXORUDTPCRAY-UHFFFAOYSA-N","360504",NA,"PDBC08356","622638","Present"
-"1-(2,6-Dihydroxyphenyl)-1,3-tetradecanedione","","","","","","","","","","","","","","","","","","","","PWBKIAXJCHFEJA-UHFFFAOYSA-N","","CCCCCCCCCCCC(=O)CC(=O)C1=C(C=CC=C1O)O","PWBKIAXJCHFEJA-UHFFFAOYSA-N","365026",NA,"PDBC08357","631961","Present"
-"1-(2,6-Dihydroxyphenyl)-1,3-tridecanedione","","","","","","","","","","","","","","","","","","","","NCZAVPKHTDWZMN-UHFFFAOYSA-N","","CCCCCCCCCCC(=O)CC(=O)C1=C(C=CC=C1O)O","NCZAVPKHTDWZMN-UHFFFAOYSA-N","360505",NA,"PDBC08358","622639","Present"
-"1-(2,6-Dihydroxyphenyl)-11-phenyl-1-undecanone","","","","","","","","","","","","","","","","","","","","JEUSOLAWSNFKCL-UHFFFAOYSA-N","","C1=CC=C(C=C1)CCCCCCCCCCC(=O)C2=C(C=CC=C2O)O","JEUSOLAWSNFKCL-UHFFFAOYSA-N","365017",NA,"PDBC08359","631952","Present"
-"1-(2,6-Dihydroxyphenyl)-3-hydroxy-1-dodecanone","","","","","","","","","","","","","","","","","","","","HEJOJEMDIXLBRW-UHFFFAOYSA-N","","CCCCCCCCCC(CC(=O)C1=C(C=CC=C1O)O)O","HEJOJEMDIXLBRW-UHFFFAOYSA-N","389031",NA,"PDBC08360","684577","Present"
-"1-(2,6-Dihydroxyphenyl)dodecan-1-one","","","","","","","","","","","","","","","","","","","","STL560680","","CCCCCCCCCCCC(=O)C1=C(C=CC=C1O)O","WPFIJMIBEGNIHW-UHFFFAOYSA-N","365016",NA,"PDBC08361","631951","Present"
-"1-(2,6-Dimethylphenyl)-3-[(1,3-dioxoindan-2-ylidene)methyl]thiourea","","","","","","","","","","","","","","","","","","","","1-(2,6-Dimethylphenyl)-3-[(1,3-dioxoindan-2-ylidene)methyl]thiourea","","CC1=C(C(=CC=C1)C)NC(=S)N=CC2=C(C3=CC=CC=C3C2=O)O","SFBMHOZTNKQUCK-KEBDBYFISA-N","135409066",NA,"PDBC08362","657570","Present"
-"1-(2,6-Dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4,6-bis(4-hydroy-3-methoxystyryl)-1-(2,6-dimethylphenyl)...","","CC1=C(C(=CC=C1)C)N2C(=CC(=NC2=O)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC","NARPRUPTBPRBMS-QHKWOANTSA-N","155809153",NA,"PDBC08363","781638","Present"
-"1-(2,7-Dinitrofluoren-9-ylidene)-N,N,N',N'-tetramethyl-methanediamine","","","","","","","","","","","","","","","","","","","","N,N,N',N'-Tetramethyl(2,7-dinitro-9H-fluoren-9-ylidene)methanediamine","","CN(C)C(=C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-])N(C)C","MZPWRUXNBOTBRH-UHFFFAOYSA-N","388898",NA,"PDBC08364","684129","Present"
-"1-(2-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-2-(hydroxymethyl)cyclopropyl)ethanol","","","","","","","","","","","","","","","","","","","","1-(2-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-2-(hydroxymethyl)cyclopropyl)ethanol","","CC(C1CC1(CNC2=CC(=NC(=N2)N)Cl)CO)O","TVDUUCHDXMWNQU-UHFFFAOYSA-N","385222",NA,"PDBC08365","676335","Present"
-"1-(2-((10-((2-(1-Naphthyloxy)ethyl)thio)decyl)thio)ethoxy)naphthalene","","","","","","","","","","","","","","","","","","","","1-(2-((10-((2-(1-Naphthyloxy)ethyl)thio)decyl)thio)ethoxy)naphthalene","","C1=CC=C2C(=C1)C=CC=C2OCCSCCCCCCCCCCSCCOC3=CC=CC4=CC=CC=C43","ILMBKTBHGIYQSN-UHFFFAOYSA-N","371304",NA,"PDBC08366","645378","Present"
-"1-(2-((2,2-Dimethyl-1,3-dioxolan-4-yl)methyl)-5-isoxazolidinyl)-5-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-(2-((2,2-Dimethyl-1,3-dioxolan-4-yl)methyl)-5-isoxazolidinyl)-5-methyl-2,4(1H,3H)-pyrimidinedione","","CC1=CN(C(=O)NC1=O)C2CCN(O2)CC3COC(O3)(C)C","USLXQSDJLZPARW-UHFFFAOYSA-N","380506",NA,"PDBC08367","666121","Present"
-"1-(2-((2-(2-Amino-6-hydroxy-7H-purin-7-yl)ethyl)amino)ethyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","1-(2-((2-(2-Amino-6-hydroxy-7H-purin-7-yl)ethyl)amino)ethyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone","","C1=CN(C(=O)N=C1N)CCNCCN2C=NC3=C2C(=O)NC(=N3)N","YMDFTVXXUSNVAV-UHFFFAOYSA-N","135486258",NA,"PDBC08368","639789","Present"
-"1-(2-((2-(Acetylamino)-3-methylbutanoyl)amino)propanoyl)proline","","","","","","","","","","","","","","","","","","","","1-(2-((2-(Acetylamino)-3-methylbutanoyl)amino)propanoyl)proline","","CC(C)C(C(=O)NC(C)C(=O)N1CCCC1C(=O)O)NC(=O)C","LMCPGWWGNZYOLP-UHFFFAOYSA-N","381419",NA,"PDBC08369","668007","Present"
-"1-(2-((2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)thio)ethyl)-4-methylpiperazine","","","","","","","","","","","","","","","","","","","","1-(2-((2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)thio)ethyl)-4-methylpiperazine","","CN1CCN(CC1)CCSC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24","JZTQXLGXJLBLFI-UHFFFAOYSA-N","366670",NA,"PDBC08370","635366","Present"
-"1-(2-((2-Chloroethyl)thio)ethyl)-3-cyclohexyl-1-nitrosourea","","","","","","","","","","","","","","","","","","","","Urea, N-[2-[(2-chloroethyl)thio]ethyl]-N'-cyclohexyl-N-n...","","C1CCC(CC1)NC(=O)N(CCSCCCl)N=O","KJRPCFPUAWNDAQ-UHFFFAOYSA-N","325087",NA,"PDBC08371","292684","Present"
-"1-(2-((3,4-Dimethoxybenzyl)thio)benzyl)-1H-pyrrole","","","","","","","","","","","","","","","","","","","","1-(2-((3,4-Dimethoxybenzyl)thio)benzyl)-1H-pyrrole","","COC1=C(C=C(C=C1)CSC2=CC=CC=C2CN3C=CC=C3)OC","MEJIWDPRVIGCLT-UHFFFAOYSA-N","376844",NA,"PDBC08372","657962","Present"
-"1-(2-((5-(3,5-Bis(hydroxy(oxido)amino)-2-methylphenyl)-1,3,4-oxadiazol-2-yl)amino)-4-methyl-1,3-thiazol-5-yl)-4-(6-chloro-3-hydroxy-2-quinoxalinyl)-1,3-butanedione","","","","","","","","","","","","","","","","","","","","4-(6-Chloro-3-oxo-4H-quinoxalin-2-yl)-1-[4-methyl-2-[[5-(2-methyl-3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]butane-1,3-dione","","CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=NN=C(O2)NC3=NC(=C(S3)C(=O)CC(=O)CC4=NC5=C(C=C(C=C5)Cl)NC4=O)C","PSDDZSHNCLRJTG-UHFFFAOYSA-N","369264",NA,"PDBC08373","640995","Present"
-"1-(2-((5-(4-(5-((5-Acetyl-4-methyl-1,3-thiazol-2-yl)amino)-1,3,4-oxadiazol-2-yl)phenyl)-1,3,4-oxadiazol-2-yl)amino)-4-methyl-1,3-thiazol-5-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-[2-[[5-[4-[5-[(5-Acetyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]ethanone","","CC1=C(SC(=N1)NC2=NN=C(O2)C3=CC=C(C=C3)C4=NN=C(O4)NC5=NC(=C(S5)C(=O)C)C)C(=O)C","RSIIOIFGZPDTRE-UHFFFAOYSA-N","371571",NA,"PDBC08374","645900","Present"
-"1-(2-((Anilinocarbonyl)(2-((anilinocarbonyl)(benzyl)amino)ethyl)amino)ethyl)-N,2-diphenylhydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","1-Anilino-1-[2-[2-[benzyl(phenylcarbamoyl)amino]ethyl-(phenylcarbamoyl)amino]ethyl]-3-phenyl-urea","","C1=CC=C(C=C1)CN(CCN(CCN(C(=O)NC2=CC=CC=C2)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5","JLLDWEQGRPZRIW-UHFFFAOYSA-N","393255",NA,"PDBC08375","694882","Present"
-"1-(2-((Cyclopentylcarbonyl)amino)-3-(1H-imidazol-4-yl)propanoyl)-2-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","1-(2-((Cyclopentylcarbonyl)amino)-3-(1H-imidazol-4-yl)propanoyl)-2-pyrrolidinecarboxamide","","C1CCC(C1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N","UKQOBAWZNJCNOH-UHFFFAOYSA-N","381834",NA,"PDBC08376","668907","Present"
-"1-(2-((Tert-Butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoyl)proline","","","","","","","","","","","","","","","","","","","","1-(2-((Tert-Butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoyl)proline","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)O","NSIPXPQHZLNRJQ-UHFFFAOYSA-N","371683",NA,"PDBC08377","646121","Present"
-"1-(2-(1,2-Diazaspiro[2.4]hept-1-yl)-1-methylethyl)-1,2-diazaspiro[2.4]heptane","","","","","","","","","","","","","","","","","","","","1-(2-(1,2-Diazaspiro[2.4]hept-1-yl)-1-methylethyl)-1,2-diazaspiro[2.4]heptane","","CC(CN1C2(N1)CCCC2)N3C4(N3)CCCC4","XQPUVLDYPLYKEG-UHFFFAOYSA-N","389835",NA,"PDBC08378","686467","Present"
-"1-(2-(1,3-Benzodioxol-5-yl)ethyl)-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one","","","","","","","","","","","","","","","","","","","","1-(2-(1,3-Benzodioxol-5-yl)ethyl)-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one","","C1CC2=C(C1)N(C(=O)CC2)CCC3=CC4=C(C=C3)OCO4","VYCGPCKLRRVRSX-UHFFFAOYSA-N","380798",NA,"PDBC08379","666517","Present"
-"1-(2-(1-Phenanthryl)-1,2-diphenylethyl)phenanthrene","","","","","","","","","","","","","","","","","","","","1-(2-(1-Phenanthryl)-1,2-diphenylethyl)phenanthrene","","C1=CC=C(C=C1)C(C2=CC=CC3=C2C=CC4=CC=CC=C43)C(C5=CC=CC=C5)C6=CC=CC7=C6C=CC8=CC=CC=C87","RFUAXVYDNSFUAI-UHFFFAOYSA-N","410322",NA,"PDBC08380","27959","Present"
-"1-(2-(1H-Imidazol-4-yl)ethyl)-2,4-dioxohexahydro-5-pyrimidinecarboximidamide","","","","","","","","","","","","","","","","","","","","1-(2-(1H-Imidazol-4-yl)ethyl)-2,4-dioxohexahydro-5-pyrimidinecarboximidamide","","C1C(C(=O)NC(=O)N1CCC2=CN=CN2)C(=N)N","XIOMHZQVNWZDNE-UHFFFAOYSA-N","376405",NA,"PDBC08381","657315","Present"
-"1-(2-(1H-Indol-3-yl)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarbaldehyde","","","","","","","","","","","","","","","","","","","","1-(2-(1H-Indol-3-yl)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarbaldehyde","","C1CN(CC(=C1)C=O)CCC2=CNC3=CC=CC=C32","QAYBKWJRBLLGEK-UHFFFAOYSA-N","372783",NA,"PDBC08382","648407","Present"
-"1-(2-(1H-Indol-3-yl)ethyl)-2,4-dioxohexahydro-5-pyrimidinecarboximidamide","","","","","","","","","","","","","","","","","","","","1-(2-(1H-Indol-3-yl)ethyl)-2,4-dioxohexahydro-5-pyrimidinecarboximidamide","","C1C(C(=O)NC(=O)N1CCC2=CNC3=CC=CC=C32)C(=N)N","VVXLBKKVKLHDQU-UHFFFAOYSA-N","376277",NA,"PDBC08383","656991","Present"
-"1-(2-(1H-Indol-3-yl)ethyl)-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","1-(2-(1H-Indol-3-yl)ethyl)-2,6-piperidinedione","","C1CC(=O)N(C(=O)C1)CCC2=CNC3=CC=CC=C32","KBAAEBGRXDBBHJ-UHFFFAOYSA-N","357951",NA,"PDBC08384","617624","Present"
-"1-(2-(1H-Indol-3-yl)ethyl)-6-oxo-1,4,5,6-tetrahydro-2-pyrimidinylcyanamide","","","","","","","","","","","","","","","","","","","","1-(2-(1H-Indol-3-yl)ethyl)-6-oxo-1,4,5,6-tetrahydro-2-pyrimidinylcyanamide","","C1CN=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC#N","NFLMVSDFAHZXKI-UHFFFAOYSA-N","375244",NA,"PDBC08385","654633","Present"
-"1-(2-(1H-Indol-3-yl)ethyl)indoline","","","","","","","","","","","","","","","","","","","","1-(2-(1H-Indol-3-yl)ethyl)indoline","","C1CN(C2=CC=CC=C21)CCC3=CNC4=CC=CC=C43","JFNPAIFYPYOSES-UHFFFAOYSA-N","378608",NA,"PDBC08386","661248","Present"
-"1-(2-(2,5-Dimethoxyphenyl)ethyl)-4,5-dimethoxy-2-methylbenzene","","","","","","","","","","","","","","","","","","","","1-(2-(2,5-Dimethoxyphenyl)ethyl)-4,5-dimethoxy-2-methylbenzene","","CC1=CC(=C(C=C1CCC2=C(C=CC(=C2)OC)OC)OC)OC","CYLIPZMUKKMUBE-UHFFFAOYSA-N","371216",NA,"PDBC08387","645265","Present"
-"1-(2-(2-Pyridinyl)ethyl)azepane","","","","","","","","","","","","","","","","","","","","1-(2-(2-Pyridinyl)ethyl)azepane","","C1CCCN(CC1)CCC2=CC=CC=N2","MDIWFIMZFDGRPW-UHFFFAOYSA-N","227424",NA,"PDBC08388","18997","Present"
-"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(3-(hydroxy(oxido)amino)phenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]","CJUKTJXWIFOPJJ-FOCLMDBBSA-N","6035704",NA,"PDBC08389","640559","Present"
-"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-(hydroxy(oxido)amino)phenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-one","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)[N+](=O)[O-]","IPRWXFAJXPKDLK-SAPNQHFASA-N","5934332",NA,"PDBC08390","640556","Present"
-"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-methylphenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-methylphenyl)-2-propen-1-one","","CC1=CC=C(C=C1)C=CC(=O)C2=C(N=C(S2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C","HDPZGEIGUACCAU-ISLYRVAYSA-N","5864101",NA,"PDBC08391","640583","Present"
-"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-phenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-phenyl-2-propen-1-one","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=CC=C5","DDJHJUVZEFZWQV-ISLYRVAYSA-N","5884626",NA,"PDBC08392","640558","Present"
-"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)ethanone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","N-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2,4-dinitroaniline","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C","DTRCKSZJHHNCMQ-RDRPBHBLSA-N","9571359",NA,"PDBC08393","648587","Present"
-"1-(2-(4-(6-(4-Fluorophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-ylamino)ethyl)-3-(3-(trifluoromethyl)phenyl)urea","","","","","","","","","","","","","","","","","","","","1-(2-(4-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)py...","","C1=CC(=CC(=C1)NC(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F)C(F)(F)F","WTROZCYGAOFMDH-UHFFFAOYSA-N","60147932",NA,"PDBC08394","753199","Present"
-"1-(2-(Acetylamino)-3-(1H-imidazol-4-yl)propanoyl)-2-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","1-(2-(Acetylamino)-3-(1H-imidazol-4-yl)propanoyl)-2-pyrrolidinecarboxamide","","CC(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)N","SWBJFMHHQOBNAT-UHFFFAOYSA-N","381832",NA,"PDBC08395","668905","Present"
-"1-(2-(Acetylamino)-3-methylbutanoyl)proline","","","","","","","","","","","","","","","","","","","","1-(2-(Acetylamino)-3-methylbutanoyl)proline","","CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C","ZPKYCVTWAHLHKY-UHFFFAOYSA-N","381417",NA,"PDBC08396","668005","Present"
-"1-(2-(Acetyloxy)ethylidene)-4-((4-methoxyphenyl)imino)-2-butenyl acetate","","","","","","","","","","","","","","","","","","","","1-(2-(Acetyloxy)ethylidene)-4-((4-methoxyphenyl)imino)-2-butenyl acetate","","CC(=O)OCC=C(C=CC=NC1=CC=C(C=C1)OC)OC(=O)C","SRZTZMXBRZXJTQ-MSPRYKTPSA-N","5467952",NA,"PDBC08397","660673","Present"
-"1-(2-(Acetyloxy)ethylidene)-4-(4-methoxyanilino)-2-butenyl acetate","","","","","","","","","","","","","","","","","","","","1-(2-(Acetyloxy)ethylidene)-4-(4-methoxyanilino)-2-butenyl acetate","","CC(=O)OCC=C(C=CCNC1=CC=C(C=C1)OC)OC(=O)C","GYIBEBAXRUJOPP-DSSQOXSPSA-N","5467954",NA,"PDBC08398","660675","Present"
-"1-(2-(Aminocarbothioyl)carbohydrazonoyl)-4-methyl-5-isoquinolinyl acetate","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-[[4-(acetyloxy)-5-methyl- 1-i...","","CC1=CN=C(C2=C1C(=CC=C2)OC(=O)C)C=NNC(=S)N","HNJCGFUDXDBNGY-REZTVBANSA-N","9571611",NA,"PDBC08399","687304","Present"
-"1-(2-(Benzyloxy)-1-methyl-2-oxoethyl) 4-tert-butyl 2-((tert-butoxycarbonyl)amino)succinate","","","","","","","","","","","","","","","","","","","","1-(2-(Benzyloxy)-1-methyl-2-oxoethyl) 4-tert-butyl 2-((tert-butoxycarbonyl)amino)succinate","","CC(C(=O)OCC1=CC=CC=C1)OC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C","KINRVHBIGXTTKF-UHFFFAOYSA-N","382321",NA,"PDBC08400","669780","Present"
-"1-(2-(Benzylsulfinyl)benzyl)-1H-pyrrole","","","","","","","","","","","","","","","","","","","","1-(2-(Benzylsulfinyl)benzyl)-1H-pyrrole","","C1=CC=C(C=C1)CS(=O)C2=CC=CC=C2CN3C=CC=C3","VUTMXLDWUFDQME-UHFFFAOYSA-N","376843",NA,"PDBC08401","657961","Present"
-"1-(2-(Diethylamino)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","1-[2-(Diethylamino)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine","","CCN(CC)CCN1C2=NC=NC(=C2C=N1)N","TXPDXDQEOLGUMM-UHFFFAOYSA-N","227513",NA,"PDBC08402","19119","Present"
-"1-(2-(Dimethylamino)ethyl)-3-((4-methylphenyl)sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","1-(2-(Dimethylamino)ethyl)-3-((4-methylphenyl)sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCN(C)C)N","SGIHSIHUTBYNHT-UHFFFAOYSA-N","375328",NA,"PDBC08403","654902","Present"
-"1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)cytosine","","","","","","","","","","","","","","","","","","","","(-)-.beta.-L-1-[(2-Hydroxymethyl)-1,3-dioxolan-4yl]cytosine","","C1C(OC(O1)CO)N2C=CC(=NC2=O)N","RXRGZNYSEHTMHC-UHFFFAOYSA-N","381525",NA,"PDBC08404","668281","Present"
-"1-(2-(Phenylsulfonyl)acetyl)pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","AK163768","","C1CC(=O)N(C1)C(=O)CS(=O)(=O)C2=CC=CC=C2","IJGGKBMTKCJJEX-UHFFFAOYSA-N","394439",NA,"PDBC08405","697915","Present"
-"1-(2-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4C(F)(F)F","XRQBDCFVJBPNHH-UHFFFAOYSA-N","362617",NA,"PDBC08406","626758","Present"
-"1-(2-Adamantyl)-3,4-dichloro-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(2-Adamantyl)-3,4-dichloro-1H-pyrrole-2,5-dione","","C1C2CC3CC1CC(C2)C3N4C(=O)C(=C(C4=O)Cl)Cl","MVJNUMRSOKWMHH-UHFFFAOYSA-N","360351",NA,"PDBC08407","622409","Present"
-"1-(2-Adamantyl)-4-(1,3-benzoxazol-2-yl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","1-(2-Adamantyl)-4-(1,3-benzoxazol-2-yl)-2,3,5,6-piperidinetetrone","","C1C2CC3CC1CC(C2)C3N4C(=O)C(=O)C(C(=O)C4=O)C5=NC6=CC=CC=C6O5","BZTYSTQSAGCNLH-UHFFFAOYSA-N","366748",NA,"PDBC08408","635521","Present"
-"1-(2-Adamantyl)-4-(1,3-benzoxazol-2-yl)-2,3,5,6-tetraoxopiperidine-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-(2-Adamantyl)-4-(1,3-benzoxazol-2-yl)-2,3,5,6-tetraoxopiperidine-4-carbonitrile","","C1C2CC3CC1CC(C2)C3N4C(=O)C(=O)C(C(=O)C4=O)(C#N)C5=NC6=CC=CC=C6O5","XPHSEXMVTWPVOG-UHFFFAOYSA-N","364332",NA,"PDBC08409","630347","Present"
-"1-(2-Amino-1-oxido-quinolin-1-ium-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(2-Amino-1-oxido-quinolin-1-ium-3-yl)ethanone","","CC(=O)C1=CC2=CC=CC=C2N(C1=N)O","RYJMERQOGUBRTQ-UHFFFAOYSA-N","495753",NA,"PDBC08410","667509","Present"
-"1-(2-Amino-4-methyl-thiazol-5-yl)-3-(4-methoxy-phenyl)-propenone","","","","","","","","","","","","","","","","","","","","1-(2-Amino-4-methyl-thiazol-5-yl)-3-(4-methoxy-phenyl)-propenone","","CC1=C(SC(=N1)N)C(=O)C=CC2=CC=C(C=C2)OC","XIOMLHYWUDUONW-VMPITWQZSA-N","5908943",NA,"PDBC08411","640554","Present"
-"1-(2-Amino-4-methyl-thiazol-5-yl)-3-(4-nitro-phenyl)-propenone","","","","","","","","","","","","","","","","","","","","1-(2-Amino-4-methyl-thiazol-5-yl)-3-(4-nitro-phenyl)-propenone","","CC1=C(SC(=N1)N)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]","CWIAFEBOESXPRW-QPJJXVBHSA-N","5843529",NA,"PDBC08412","640555","Present"
-"1-(2-Amino-ethyl)-6-thioxo-[1,5]triazinane-2,4-dione hydrochloride","","","","","","","","","","","","","","","","","","","","1-(2-Amino-ethyl)-6-thioxo-[1,3,5]triazinane-2,4-dione h...","","C(CN1C(=O)NC(=O)NC1=S)N.Cl","YGAYGTUZXJXXSI-UHFFFAOYSA-N","24206069",NA,"PDBC08413","740007","Present"
-"1-(2-Aminoethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(2-Aminoethoxy)methyl]-5-[3-(benzyloxy)benzyl]pyrimidine-2,4(1H,3H)-dione","","C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3=CN(C(=O)NC3=O)COCCN","ZVAVHJJLDLPPMW-UHFFFAOYSA-N","360829",NA,"PDBC08414","623292","Present"
-"1-(2-Aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(2-Aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride","","CC1=C(C(=O)C=CN1CCN)O.Cl","SRYUCYQTMLLFAO-UHFFFAOYSA-N","10330568",NA,"PDBC08415","359869","Present"
-"1-(2-Aminoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea","","","","","","","","","","","","","","","","","","","","1-(2-Aminoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea","","C1=CC=C(C=C1)NC(=O)N(CCN)CCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3","LXPIGJKFAYACAB-UHFFFAOYSA-N","393246",NA,"PDBC08416","694873","Present"
-"1-(2-Aminoethyl)-4-(tritylamino)pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-(2-Aminoethyl)-4-(tritylamino)pyrimidin-2-one","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCN","RGHBZBPTJLDUKC-UHFFFAOYSA-N","368672",NA,"PDBC08417","639790","Present"
-"1-(2-Aminoethyl)-7-chloro-5-(4-chlorophenyl)-3H-1,4-benzodiazepin-2-one;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(2-Aminoethyl)-7-chloro-5-(4-chlorophenyl)-3H-1,4-benzodiazepin-2-one hydrochloride","","C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)Cl)CCN.Cl","KRQBHQYPWCACLJ-UHFFFAOYSA-N","398657",NA,"PDBC08418","708815","Present"
-"1-(2-Aminohexyldisulfanyl)hexan-2-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC656251","","CCCCC(CSSCC(CCCC)N)N.Cl","MDBAXMWGMKVYPP-UHFFFAOYSA-N","375914",NA,"PDBC08419","656251","Present"
-"1-(2-Aminophenyl)-3-(1,3-benzodioxol-5-yl)-2,3-dibromo-1-propanone","","","","","","","","","","","","","","","","","","","","1-(2-Aminophenyl)-3-(1,3-benzodioxol-5-yl)-2,3-dibromo-1-propanone","","C1OC2=C(O1)C=C(C=C2)C(C(C(=O)C3=CC=CC=C3N)Br)Br","VVNKQNLRCJLCRB-UHFFFAOYSA-N","375450",NA,"PDBC08420","655182","Present"
-"1-(2-Aminophenyl)-3-(1H-indol-3-yl)propan-1-one","","","","","","","","","","","","","","","","","","","","1-(2-Aminophenyl)-3-(1H-indol-3-yl)propan-1-one","","C1=CC=C2C(=C1)C(=CN2)CCC(=O)C3=CC=CC=C3N","LVHULLKMESBEIG-UHFFFAOYSA-N","356984",NA,"PDBC08421","614539","Present"
-"1-(2-Aminophenyl)-3-(2-hydroxy-1-naphthyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","1-(2-Aminophenyl)-3-(2-hydroxy-1-naphthyl)-2-propen-1-one","","C1=CC=C2C(=C1)C=CC(=C2C=CC(=O)C3=CC=CC=C3N)O","NZYLTSOYOOGAKX-ZRDIBKRKSA-N","5890551",NA,"PDBC08422","640544","Present"
-"1-(2-Anilino-1-naphthyl)naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-(2-Anilino-1-naphthyl)naphthalen-2-ol","","C1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O","JFWFADDJQPNTMY-UHFFFAOYSA-N","394815",NA,"PDBC08423","698617","Present"
-"1-(2-Anilinoethyl)-3-[4-[[2-anilinoethyl(2-cyanoethyl)carbamoyl]amino]phenyl]-1-(2-cyanoethyl)urea","","","","","","","","","","","","","","","","","","","","1-(2-Anilinoethyl)-3-[4-[[2-anilinoethyl(2-cyanoethyl)carbamoyl]amino]phenyl]-1-(2-cyanoethyl)urea","","C1=CC=C(C=C1)NCCN(CCC#N)C(=O)NC2=CC=C(C=C2)NC(=O)N(CCC#N)CCNC3=CC=CC=C3","SWAHZFTWVBEACG-UHFFFAOYSA-N","393240",NA,"PDBC08424","694867","Present"
-"1-(2-Aza-bicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)-ethane-1,2-dione","","","","","","","","","","","","","","","","","","","","1-(2-Aza-bicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)-ethane-1,2-dione","","C1CC2C=CC1CN2C(=O)C(=O)C3=CNC4=CC=CC=C43","YSWCRYWHOQSZSU-UHFFFAOYSA-N","363557",NA,"PDBC08425","628521","Present"
-"1-(2-Azidoethyl)-2-methyl-5-nitroimidazole","","","","","","","","","","","","","","","","","","","","ZOHNJAQYCPKISP-UHFFFAOYSA-N","","CC1=NC=C(N1CCN=[N+]=[N-])[N+](=O)[O-]","ZOHNJAQYCPKISP-UHFFFAOYSA-N","3246588",NA,"PDBC08426","265263","Present"
-"1-(2-Benzhydryloxyethyl)-4-[(E)-3-(3-bromophenyl)prop-2-enyl]piperazine;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-(2-Benzhydryloxyethyl)-4-[(E)-3-(3-bromophenyl)prop-2-enyl]piperazine;(Z)-but-2-enedioic acid","","C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC=CC4=CC(=CC=C4)Br.C(=CC(=O)O)C(=O)O","SEWUFQYFPBDYBP-AJOUBPDISA-N","54611472",NA,"PDBC08427","707830","Present"
-"1-(2-Benzhydryloxyethyl)-4-[(E)-3-(3-iodophenyl)prop-2-enyl]piperazine;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-(2-Benzhydryloxyethyl)-4-[(E)-3-(3-iodophenyl)prop-2-enyl]piperazine;(Z)-but-2-enedioic acid","","C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC=CC4=CC(=CC=C4)I.C(=CC(=O)O)C(=O)O","SILLVYQQUSXICN-AJOUBPDISA-N","54603737",NA,"PDBC08428","707831","Present"
-"1-(2-Benzyl-4-oxo-3-phenyl-2-oxetanyl)-2-pyrrolidinone","","","","","","","","","","","","","","","","","","","","1-(2-Benzyl-4-oxo-3-phenyl-2-oxetanyl)-2-pyrrolidinone","","C1CC(=O)N(C1)C2(C(C(=O)O2)C3=CC=CC=C3)CC4=CC=CC=C4","DNJDYUUIZCUUIV-UHFFFAOYSA-N","366013",NA,"PDBC08429","634186","Present"
-"1-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-3-(2-hydro xyphenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-3-(2-h...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C(N)NC3=CC=CC=C3O","QWFGHUIMHNUGAS-UHFFFAOYSA-N","24205037",NA,"PDBC08430","734058","Present"
-"1-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-3-(3-hydro xyphenl)guanidine","","","","","","","","","","","","","","","","","","","","1-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-3-(3-h...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C(N)NC3=CC(=CC=C3)O","BUAGIZSJTDCKLW-UHFFFAOYSA-N","54611674",NA,"PDBC08431","736217","Present"
-"1-(2-Benzylthio-4-chloro-5-phenylcarbamoylbenzenesulfony...","","","","","","","","","","","","","","","","","","","","1-(2-Benzylthio-4-chloro-5-phenylcarbamoylbenzenesulfony...","","CC(=NNC(=NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=CC=CC=C2)Cl)SCC3=CC=CC=C3)N)C(=O)C","RMOCNWKVNQLRGE-MUFRIFMGSA-N","11226727",NA,"PDBC08432","728509","Present"
-"1-(2-Bromo-1-(bromomethyl)ethyl)-2-cyclopentyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","","","","","","","","","","","","","","","","","","","","1-(2-Bromo-1-(bromomethyl)ethyl)-2-cyclopentyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","","COC1=C(C=C2C(N(CCC2=C1)C3CCCC3)C(CBr)CBr)OC","REJPYWXSBFPPSA-UHFFFAOYSA-N","373605",NA,"PDBC08433","650210","Present"
-"1-(2-Bromo-4,5-dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline","","","","","","","","","","","","","","","","","","","","1-(2-Bromo-4,5-dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7- ...","","COC1=C(C=C2C(NCCC2=C1)CC3=CC(=C(C=C3Br)OC)OC)OC","QKHZFXGDKKIIJA-UHFFFAOYSA-N","366736",NA,"PDBC08434","635458","Present"
-"1-(2-Bromoallyl)-3-(3,4-dichlorophenyl)urea","","","","","","","","","","","","","","","","","","","","LS-159149","","C=C(CNC(=O)NC1=CC(=C(C=C1)Cl)Cl)Br","IAADVFXQPMIOMV-UHFFFAOYSA-N","379655",NA,"PDBC08435","664534","Present"
-"1-(2-Bromophenyl)-2,2,2-trifluoroethanone","","","","","","","","","","","","","","","","","","","","ZX-AP003880","","C1=CC=C(C(=C1)C(=O)C(F)(F)F)Br","VNAWTGXXPNWISR-UHFFFAOYSA-N","358616",NA,"PDBC08436","618624","Present"
-"1-(2-Bromophenyl)-3-(dimethylamino)thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Bromophenyl)-3-(dimethylamino)thiourea","","CN(C)NC(=S)NC1=CC=CC=C1Br","CAIXCZFNMJIQJQ-UHFFFAOYSA-N","3004930",NA,"PDBC08437","663986","Present"
-"1-(2-Carboxyphenyl)-3-(dimethyl-amino)-2-methylpropan-1-one, hydrochloride salt","","","","","","","","","","","","","","","","","","","","1-(2-carboxyphenyl)-3-(dimethyl-amino)-2-methylpropan-1-...","","CC(CN(C)C)C(=O)C1=CC=CC=C1C(=O)O.Cl","REIIHTVGGPJZEJ-UHFFFAOYSA-N","5351148",NA,"PDBC08438","22992","Present"
-"1-(2-Chloro,6-fluorophenyl)-5,6-dimethyl-benzimidazole","","","","","","","","","","","","","","","","","","","","NSC728195","","CC1=CC2=C(C=C1C)N(C(=N2)C3=C(C=CC=C3Cl)F)CC4=C(C=CC=C4Cl)F","XKIDVUQKLQEGID-UHFFFAOYSA-N","24203473",NA,"PDBC08439","728195","Present"
-"1-(2-Chloro,6-fluorophenyl)-benz imidazole","","","","","","","","","","","","","","","","","","","","NSC726407","","C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC=C3Cl)F)C4=C(C=CC=C4Cl)F","HKGRLYVRFRYWBD-UHFFFAOYSA-N","24202970",NA,"PDBC08440","726407","Present"
-"1-(2-Chloro-1-(4-methoxyphenyl)-2-phenylvinyl)-4-methoxybenzene","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-1-(4-methoxyphenyl)-2-phenylvinyl)-4-methoxybenzene","","COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=C(C=C3)OC","SXHPIOYGNGNXRF-UHFFFAOYSA-N","384601",NA,"PDBC08441","674613","Present"
-"1-(2-Chloro-10H-phenothiazin-10-yl)-2-propanol","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-10H-phenothiazin-10-yl)-2-propanol","","CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)O","IICZXNQERLVJSM-UHFFFAOYSA-N","267541",NA,"PDBC08442","106885","Present"
-"1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-ethoxybenzene","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-ethoxybenzene","","CCOC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OC)Cl","XLDTXWLKYNKVLB-ATVHPVEESA-N","5467561",NA,"PDBC08443","655914","Present"
-"1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-methoxybenzene","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-methoxybenzene","","COC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OC)Cl","HRVZOTLFVKDILN-WJDWOHSUSA-N","5467547",NA,"PDBC08444","655402","Present"
-"1-(2-Chloro-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylic acid","","C1CC(=O)N(C1C(=O)O)C(=O)C(C2=CC=CC=C2)Cl","RRHWHPBDIDCMAI-UHFFFAOYSA-N","367289",NA,"PDBC08445","636837","Present"
-"1-(2-Chloro-5-(hydroxy(oxido)amino)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-5-(hydroxy(oxido)amino)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","MYXKHRSTGNIYQC-UHFFFAOYSA-N","362624",NA,"PDBC08446","626765","Present"
-"1-(2-Chloro-5-nitrophenyl)-6-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-5-nitrophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline","","COC1=CC2=C(CN3C(SCC3=N2)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C=C1","FJLHYKWVDCEEHV-UHFFFAOYSA-N","400623",NA,"PDBC08447","712745","Present"
-"1-(2-Chloro-5-nitrophenyl)-7-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-5-nitrophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline","","COC1=CC2=C(C=C1)N=C3CSC(N3C2)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","XLTKGSJZLBPBBR-UHFFFAOYSA-N","400622",NA,"PDBC08448","712744","Present"
-"1-(2-Chloro-6-fluorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-chloro-6-fluoro...","","COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4Cl)F","FYHTYCWPRDGVDK-UHFFFAOYSA-N","396040",NA,"PDBC08449","701312","Present"
-"1-(2-Chloro-6-fluorophenyl)-7-methoxy-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-6-fluorophenyl)-7-methoxy-3H-thiazolo[3,4-a]benzimidazole","","COC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4Cl)F","BMONISGQURZTRR-UHFFFAOYSA-N","396039",NA,"PDBC08450","701311","Present"
-"1-(2-Chloro-6-nitrophenyl)-6-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-6-nitrophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline","","COC1=CC2=C(CN3C(SCC3=N2)C4=C(C=CC=C4Cl)[N+](=O)[O-])C=C1","NETABVDJINAVFY-UHFFFAOYSA-N","400625",NA,"PDBC08451","712747","Present"
-"1-(2-Chloro-6-nitrophenyl)-7-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(2-Chloro-6-nitrophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline","","COC1=CC2=C(C=C1)N=C3CSC(N3C2)C4=C(C=CC=C4Cl)[N+](=O)[O-]","ZOURWWZPLJKIOU-UHFFFAOYSA-N","400624",NA,"PDBC08452","712746","Present"
-"1-(2-Chlorobenzoyl)-2-(4-chlorobenzoyl)-4,4-diethyl-3,5-pyrazolidinedione","","","","","","","","","","","","","","","","","","","","1-(2-Chlorobenzoyl)-2-(4-chlorobenzoyl)-4,4-diethyl-3,5-pyrazolidinedione","","CCC1(C(=O)N(N(C1=O)C(=O)C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)Cl)CC","FVOYDEJWHVOVFB-UHFFFAOYSA-N","388186",NA,"PDBC08453","682751","Present"
-"1-(2-Chlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile","","","","","","","","","","","","","","","","","","","","1-(2-Chlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile","","CC1=CC2=C(C(=C1C)C#N)N(N=C2C)CC3=CC=CC=C3Cl","HMWWQBRPSINDBJ-UHFFFAOYSA-N","367596",NA,"PDBC08454","637428","Present"
-"1-(2-Chloroethyl)-2,14-dioxoazacyclotetradecane-3-carbonitrile","","","","","","","","","","","","","","","","","","","","1-(2-Chloroethyl)-2,14-dioxoazacyclotetradecane-3-carbonitrile","","C1CCCCCC(=O)N(C(=O)C(CCCC1)C#N)CCCl","WMFBVLZAVKFOPD-UHFFFAOYSA-N","371579",NA,"PDBC08455","645927","Present"
-"1-(2-Chloroethyl)-2-(chloromethyl)piperidine hydrochloride","","","","","","","","","","","","","","","","","","","","CAP 1 hydrochloride","","C1CCN(C(C1)CCl)CCCl.Cl","FVTCGYNXQSQUAO-UHFFFAOYSA-N","21123220",NA,"PDBC08456","33765","Present"
-"1-(2-Chloroethyl)-2-phenoxy-3-phenyl-1,3,2lambda5-diazaphospholidine 2-oxide","","","","","","","","","","","","","","","","","","","","1-(2-Chloroethyl)-2-phenoxy-3-phenyl-1,3,2-diazaphospholidine 2-oxide","","C1CN(P(=O)(N1CCCl)OC2=CC=CC=C2)C3=CC=CC=C3","CVQCURZCJPYEAF-UHFFFAOYSA-N","382332",NA,"PDBC08457","669801","Present"
-"1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea","","","","","","","","","","","","","","","","","","","","Urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitroso...","","C1=CC(=C(C=C1NC(=O)N(CCCl)N=O)Cl)Cl","NCLKIDZGWJFIDA-UHFFFAOYSA-N","267343",NA,"PDBC08458","106531","Present"
-"1-(2-Chloroethyl)-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-(2-Chloroethyl)-3-phenylurea","","C1=CC=C(C=C1)NC(=O)NCCCl","GLAQLBSPTKQTEY-UHFFFAOYSA-N","252145",NA,"PDBC08459","73440","Present"
-"1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine dihydrochloride","","","","","","","","","","","","","","","","","","","","Piperazine","","C1CN(CCN1CCCCl)CCCl.Cl","VENAWWNQXLXMHX-UHFFFAOYSA-N","54607756",NA,"PDBC08460","344007","Present"
-"1-(2-Chloroethyl)-4-(tritylamino)pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-(2-Chloroethyl)-4-(tritylamino)pyrimidin-2-one","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCCl","LWYPPVWISBNKOH-UHFFFAOYSA-N","368676",NA,"PDBC08461","639794","Present"
-"1-(2-Chloroethylcarbamoyl)-1-hydroxy-3-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-(2-Chloroethylcarbamoyl)-1-hydroxy-3-phenyl-urea","","C1=CC=C(C=C1)NC(=O)N(C(=O)NCCCl)O","ORMMOCSSEBOVAV-UHFFFAOYSA-N","388218",NA,"PDBC08462","682812","Present"
-"1-(2-Chloroethyldiazenyl)-1,3-dimethylurea","","","","","","","","","","","","","","","","","","","","2-Triazene-1-carboxamide, 3-(2-chloroethyl)-N,1-dimethyl-","","CNC(=O)N(C)N=NCCCl","CJLYVUNRUJYSGI-UHFFFAOYSA-N","354114",NA,"PDBC08463","604784","Present"
-"1-(2-Chlorophenyl)-1-phenyl-4-(1-pyrrolidinyl)-2-butyn-1-ol","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-1-phenyl-4-(1-pyrrolidinyl)-2-butyn-1-ol","","C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3Cl)O","FUERHIFBDWTBRC-UHFFFAOYSA-N","385007",NA,"PDBC08464","675860","Present"
-"1-(2-Chlorophenyl)-2-[(dimethylamino)methyl]prop-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-(2-chlorophenyl)-2-[(dimethylamino) me...","","CN(C)CC(=C)C(=O)C1=CC=CC=C1Cl.Cl","HPZVUVZTLUWLPG-UHFFFAOYSA-N","5351333",NA,"PDBC08465","382007","Present"
-"1-(2-Chlorophenyl)-3-(1-naphthyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-3-(1-naphthyl)prop-2-en-1-one","","C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC=CC=C3Cl","WXNBNBAXTJIKSU-OUKQBFOZSA-N","5921231",NA,"PDBC08466","640534","Present"
-"1-(2-Chlorophenyl)-3-(2-hydroxy-1-naphthyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-3-(2-hydroxy-1-naphthyl)-2-propen-1-one","","C1=CC=C2C(=C1)C=CC(=C2C=CC(=O)C3=CC=CC=C3Cl)O","ZOQFHGVWYHPQPE-ZRDIBKRKSA-N","6292228",NA,"PDBC08467","636813","Present"
-"1-(2-Chlorophenyl)-3-(4-methyl-2-pyridyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-3-(4-methyl-2-pyridyl)thiourea","","CC1=CC(=NC=C1)NC(=S)NC2=CC=CC=C2Cl","KEKPGUKMMKDOOP-UHFFFAOYSA-N","3005369",NA,"PDBC08468","695057","Present"
-"1-(2-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea","","CC1=NC(=CC=C1)NC(=S)NC2=CC=CC=C2Cl","DOCPWEXVJNQESK-UHFFFAOYSA-N","3005367",NA,"PDBC08469","695054","Present"
-"1-(2-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=CC=C3Cl","IMCUGMJGZBONBR-CIAFOILYSA-N","9571648",NA,"PDBC08470","695066","Present"
-"1-(2-Chlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]urea","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]urea","","CC(=NNC(=O)NC1=CC=CC=C1Cl)C2=CC=C(C=C2)O","BVCBWNBPUWOMLE-VCHYOVAHSA-N","135436232",NA,"PDBC08471","715190","Present"
-"1-(2-Chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","CC(=NNC(=S)NC1=CC=CC=C1Cl)C2=CC=CC=N2","DIAIPLSVPPGTLG-ZDLGFXPLSA-N","5923821",NA,"PDBC08472","668333","Present"
-"1-(2-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea","","CC(=NNC(=S)NC1=CC=CC=C1Cl)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=CC=C3Cl)C","CUYVBNLACRYKJQ-QKPCRAOOSA-N","5905475",NA,"PDBC08473","668485","Present"
-"1-(2-Chlorophenyl)-3-pyridin-2-ylthiourea","","","","","","","","","","","","","","","","","","","","STK164730","","C1=CC=C(C(=C1)NC(=S)NC2=CC=CC=N2)Cl","ZRDDWFAJQXEXAI-UHFFFAOYSA-N","972361",NA,"PDBC08474","695051","Present"
-"1-(2-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4Cl","NMTHEQHYUCNJIO-UHFFFAOYSA-N","361998",NA,"PDBC08475","625477","Present"
-"1-(2-Chlorophenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5Cl","HLPSPPPEQFZLSA-UHFFFAOYSA-N","399099",NA,"PDBC08476","709515","Present"
-"1-(2-Chlorophenyl)-6-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline","","COC1=CC2=C(CN3C(SCC3=N2)C4=CC=CC=C4Cl)C=C1","NSSLECAIIYELJZ-UHFFFAOYSA-N","400619",NA,"PDBC08477","712741","Present"
-"1-(2-Chlorophenyl)-7-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(2-Chlorophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline","","COC1=CC2=C(C=C1)N=C3CSC(N3C2)C4=CC=CC=C4Cl","HCTREMGMQOGJBD-UHFFFAOYSA-N","400618",NA,"PDBC08478","712740","Present"
-"1-(2-Cyanoethyl)-1-[2-[2-cyanoethyl(phenylcarbamoyl)amino]ethyl]-3-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-(2-Cyanoethyl)-1-[2-[2-cyanoethyl(phenylcarbamoyl)amino]ethyl]-3-phenyl-urea","","C1=CC=C(C=C1)NC(=O)N(CCC#N)CCN(CCC#N)C(=O)NC2=CC=CC=C2","LQFYGAHPGDBUDF-UHFFFAOYSA-N","393256",NA,"PDBC08479","694883","Present"
-"1-(2-Cyanoethyl)-1-[4-[2-cyanoethyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-(2-Cyanoethyl)-1-[4-[2-cyanoethyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea","","C1=CC=C(C=C1)NC(=O)N(CCCCN(CCC#N)C(=O)NC2=CC=CC=C2)CCC#N","USJSNNBBVYPZPT-UHFFFAOYSA-N","393238",NA,"PDBC08480","694865","Present"
-"1-(2-Cyanoethyl)-1-ethyl-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-(2-Cyanoethyl)-1-ethyl-3-phenylurea","","CCN(CCC#N)C(=O)NC1=CC=CC=C1","JUJAGXRNGHJFAI-UHFFFAOYSA-N","390711",NA,"PDBC08481","688353","Present"
-"1-(2-Cyanoethyl)-3-[4-[[2-cyanoethyl(phenyl)carbamoyl]amino]phenyl]-1-phenyl-urea","","","","","","","","","","","","","","","","","","","","Urea, N',N'''-1,4-phenylenebis[N-(2-cyanoethyl)-N-phenyl-","","C1=CC=C(C=C1)N(CCC#N)C(=O)NC2=CC=C(C=C2)NC(=O)N(CCC#N)C3=CC=CC=C3","KRJJEWLRMNVNFX-UHFFFAOYSA-N","393233",NA,"PDBC08482","694860","Present"
-"1-(2-Cyanoethyl)-3-methyl-1-[2-[N-(methylcarbamoyl)anilino]ethyl]urea","","","","","","","","","","","","","","","","","","","","1-(2-Cyanoethyl)-3-methyl-1-[2-[N-(methylcarbamoyl)anilino]ethyl]urea","","CNC(=O)N(CCC#N)CCN(C1=CC=CC=C1)C(=O)NC","WAIFPWHBSLTWIP-UHFFFAOYSA-N","390710",NA,"PDBC08483","688352","Present"
-"1-(2-Cyanoethyl)-3-methyl-1-[2-[methylcarbamoyl-[2-[N-(methylcarbamoyl)anilino]ethyl]amino]ethyl]urea","","","","","","","","","","","","","","","","","","","","1-{2-[1-(2-Cyano-ethyl)-3-methyl-ureido]-ethyl}-3-methyl-1-[2-(3-methyl-1-phenyl-ureido)-ethyl]-urea","","CNC(=O)N(CCC#N)CCN(CCN(C1=CC=CC=C1)C(=O)NC)C(=O)NC","YOYZLJBPNYRVIR-UHFFFAOYSA-N","390717",NA,"PDBC08484","688359","Present"
-"1-(2-Cyanoethyl)-3-methyl-1-[3-[N-(methylcarbamoyl)anilino]propyl]urea","","","","","","","","","","","","","","","","","","","","1-(2-Cyanoethyl)-3-methyl-1-[3-[N-(methylcarbamoyl)anilino]propyl]urea","","CNC(=O)N(CCCN(C1=CC=CC=C1)C(=O)NC)CCC#N","YHQDVRNMTRKVAH-UHFFFAOYSA-N","390706",NA,"PDBC08485","688348","Present"
-"1-(2-Cyanoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea","","","","","","","","","","","","","","","","","","","","1-(2-Cyanoethyl)-1',3,3'-triphenyl[1,1'-ethylenebisurea]","","C1=CC=C(C=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3","TXHVOBZSUFKHPV-UHFFFAOYSA-N","390707",NA,"PDBC08486","688349","Present"
-"1-(2-Cyanoethyl)-3-phenyl-1-[2-[phenylcarbamoyl-[2-[N-(phenylcarbamoyl)anilino]ethyl]amino]ethyl]urea","","","","","","","","","","","","","","","","","","","","3-[1-[2-[1-[2-(1,3-Diphenylureido)ethyl]-3-phenylureido]ethyl]-3-phenylureido]propiononitrile","","C1=CC=C(C=C1)NC(=O)N(CCC#N)CCN(CCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4","PXUVKJAMCPOQPX-UHFFFAOYSA-N","390716",NA,"PDBC08487","688358","Present"
-"1-(2-Cyanoethyl)-3-phenyl-1-[3-[N-(phenylcarbamoyl)anilino]propyl]urea","","","","","","","","","","","","","","","","","","","","1-(2-Cyanoethyl)-3-phenyl-1-[3-[N-(phenylcarbamoyl)anilino]propyl]urea","","C1=CC=C(C=C1)NC(=O)N(CCCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)CCC#N","SYPKLCOQWFFGPG-UHFFFAOYSA-N","390703",NA,"PDBC08488","688345","Present"
-"1-(2-Cyanoethyl)-3-phenyl-1-[3-[phenylcarbamoyl-[3-[N-(phenylcarbamoyl)anilino]propyl]amino]propyl]urea","","","","","","","","","","","","","","","","","","","","1-(2-Cyanoethyl)-3-phenyl-1-[3-[phenylcarbamoyl-[3-[N-(phenylcarbamoyl)anilino]propyl]amino]propyl]urea","","C1=CC=C(C=C1)NC(=O)N(CCCN(CCC#N)C(=O)NC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4","FFEFURPCXNAPCS-UHFFFAOYSA-N","390704",NA,"PDBC08489","688346","Present"
-"1-(2-Deoxy-beta-D-Ribofuranosyl)-5-ethynyl-2-pyrimidinone","","","","","","","","","","","","","","","","","","","","1-(2-deoxy-.beta.-d-ribofuranosyl)-5-ethynyl-2-pyrimidinone","","C#CC1=CN(C(=O)N=C1)C2CC(C(O2)CO)O","VXALRNVDFHPLAC-UHFFFAOYSA-N","14326902",NA,"PDBC08490","737451","Present"
-"1-(2-Deoxy-beta-D-ribofuranosyl)-5-carbomethoxy-2-pyrimidinone","","","","","","","","","","","","","","","","","","","","1-(2-deoxy-.beta.-d-ribofuranosyl)-5-carbomethoxy-2-pyri...","","COC(=O)C1=CN(C(=O)N=C1)C2CC(C(O2)CO)O","GSXLJRFPFXZXEV-UHFFFAOYSA-N","24205959",NA,"PDBC08491","737453","Present"
-"1-(2-Deoxy-beta-D-ribofuranosyl)-5-cyano-2-pyrimidinone","","","","","","","","","","","","","","","","","","","","1-(2-deoxy-.beta.-d-ribofuranosyl)-5-cyano-2-pyrimidinone","","C1C(C(OC1N2C=C(C=NC2=O)C#N)CO)O","AALQVVSPUKUODT-UHFFFAOYSA-N","19869869",NA,"PDBC08492","737452","Present"
-"1-(2-Diazoacetyl)-N-methyl-N-phenyl-cyclopropanecarboxamide","","","","","","","","","","","","","","","","","","","","2-Diazonio-1-{1-[methyl(phenyl)carbamoyl]cyclopropyl}ethenolate","","CN(C1=CC=CC=C1)C(=O)C2(CC2)C(=O)C=[N+]=[N-]","CAEZADPXYXIKNG-UHFFFAOYSA-N","373304",NA,"PDBC08493","649452","Present"
-"1-(2-Ethoxy-3-octadecoxypropyl)-1-methylpiperidin-1-ium-4-ol;bromide","","","","","","","","","","","","","","","","","","","","1-[2-Ethoxy-3-(octadecyloxy)propyl]-4-hydroxy-1-methylpiperidinium bromide","","CCCCCCCCCCCCCCCCCCOCC(C[N+]1(CCC(CC1)O)C)OCC.[Br-]","VLRVEDKRWCDQJU-UHFFFAOYSA-M","372658",NA,"PDBC08494","648155","Present"
-"1-(2-Ethoxy-5-hydroxy-1-benzofuran-4-yl)propan-1-one","","","","","","","","","","","","","","","","","","","","1-(2-Ethoxy-5-hydroxy-1-benzofuran-4-yl)propan-1-one","","CCC(=O)C1=C(C=CC2=C1C=C(O2)OCC)O","XLFRPHGEFGIFJC-UHFFFAOYSA-N","359528",NA,"PDBC08495","620511","Present"
-"1-(2-Ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine","","","","","","","","","","","","","","","","","","","","1-(2-ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine","","CCC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","GTFTUVWVYOUTFW-UHFFFAOYSA-N","244818",NA,"PDBC08496","56030","Present"
-"1-(2-Ethylsulfonylethyl)-3,7-dimethyl-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","1-(2-Ethylsulfonylethyl)-3,7-dimethyl-purine-2,6-dione","","CCS(=O)(=O)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C","QVQAXRBJFKOKAA-UHFFFAOYSA-N","387870",NA,"PDBC08497","682079","Present"
-"1-(2-Ethynylphenyl)pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(2-Ethynylphenyl)-1H-pyrrole-2,5-dione","","C#CC1=CC=CC=C1N2C(=O)C=CC2=O","BOSCEOCMYDRQOJ-UHFFFAOYSA-N","366008",NA,"PDBC08498","634181","Present"
-"1-(2-Fluorobenzyl)-3-methoxy-5-nitro-1h-indazole","","","","","","","","","","","","","","","","","","","","1-(2-Fluorobenzyl)-3-methoxy-5-nitro-1h-indazole","","COC1=NN(C2=C1C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3F","ZKVBUVHEILDNMG-UHFFFAOYSA-N","386341",NA,"PDBC08499","678124","Present"
-"1-(2-Fluoroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)urea","","","","","","","","","","","","","","","","","","","","urea, n-(2-fluoroethyl)-n-nitroso-n'-(tetrahydro-2h-thio...","","C1CSCCC1NC(=O)N(CCF)N=O","RASQWFNMYUIFFE-UHFFFAOYSA-N","97301",NA,"PDBC08500","114459","Present"
-"1-(2-Fluoroethyl)-3-(2-norbornyl)-1-nitrosourea","","","","","","","","","","","","","","","","","","","","urea, 1-(2-fluoroethyl)-1-nitroso-3-(2-norbornyl)- (8ci)","","C1CC2CC1CC2NC(=O)N(CCF)N=O","LESTWYVGWLZSMR-UHFFFAOYSA-N","98254",NA,"PDBC08501","93492","Present"
-"1-(2-Fluorophenyl)-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(2-Fluorophenyl)-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline","","C1C2=CC=CC=C2N=C3N1C(SC3)C4=CC=CC=C4F","BXYGTAGKUYHPEC-UHFFFAOYSA-N","395895",NA,"PDBC08502","700990","Present"
-"1-(2-Fluorophenyl)-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea","","","","","","","","","","","","","","","","","","","","1-(2-Fluorophenyl)-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea","","C1=CC=C(C(=C1)NC(=O)NC2=CC3=C(C=C2)NC(=S)S3)F","XXZCEVYIMOVDGT-UHFFFAOYSA-N","3003893",NA,"PDBC08503","213989","Present"
-"1-(2-Furyl)-1-tridecanol","","","","","","","","","","","","","","","","","","","","1-(2-Furyl)-1-tridecanol","","CCCCCCCCCCCCC(C1=CC=CO1)O","KWSOXPPLWZODNZ-UHFFFAOYSA-N","15721351",NA,"PDBC08504","732215","Present"
-"1-(2-Furyl)-2,4-bis(2-thienyl)butane-1,4-dione","","","","","","","","","","","","","","","","","","","","1-(2-Furyl)-2,4-di(2-thienyl)-1,4-butanedione","","C1=COC(=C1)C(=O)C(CC(=O)C2=CC=CS2)C3=CC=CS3","QJOMSKUEHJUFJQ-UHFFFAOYSA-N","395489",NA,"PDBC08505","700131","Present"
-"1-(2-Hydroxy-3-methoxy-5-methylphenyl)-3-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxy-3-methoxy-5-methylphenyl)-3-phenylprop-2-en-1-one","","CC1=CC(=C(C(=C1)OC)O)C(=O)C=CC2=CC=CC=C2","YDTZQVNVCMFHSQ-CMDGGOBGSA-N","5356385",NA,"PDBC08506","55798","Present"
-"1-(2-Hydroxy-4,6-dimethoxyphenyl)-1,3-butanedione","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxy-4,6-dimethoxyphenyl)-1,3-butanedione","","CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)O","HSRZGMDZNNYWBS-UHFFFAOYSA-N","365039",NA,"PDBC08507","631974","Present"
-"1-(2-Hydroxy-5-phenylphenyl)-N,N-dimethylmethanamine oxide","","","","","","","","","","","","","","","","","","","","3-[(Dimethylnitroryl)methyl]biphenyl-4-ol","","C[N+](C)(CC1=C(C=CC(=C1)C2=CC=CC=C2)O)[O-]","ZVUMFYPRCOOMFA-UHFFFAOYSA-N","224948",NA,"PDBC08508","13816","Present"
-"1-(2-Hydroxybenzoyl)-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxybenzoyl)-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C(=O)C3=CC=CC=C3O","MZQWCAPKLLGVAL-XNTDXEJSSA-N","135499335",NA,"PDBC08509","652177","Present"
-"1-(2-Hydroxybenzoyl)-3-methyl-4-(4-methoxybenzylidene)-1H-pyrazole-5(4H)-one","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxybenzoyl)-3-methyl-4-(4-methoxybenzylidene)-1H-pyrazole-5(4H)-one","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3O","LZEFZWQMDTZXAX-LFIBNONCSA-N","5351408",NA,"PDBC08510","652174","Present"
-"1-(2-Hydroxyethoxymethyl)-3-prop-2-enylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(2-Hydroxyethoxy)methyl]-3-(prop-2-en-1-yl)pyrimidine-2,4(1h,3h)-dione","","C=CCN1C(=O)C=CN(C1=O)COCCO","YUDXCRDKHLGDQD-UHFFFAOYSA-N","386537",NA,"PDBC08511","678969","Present"
-"1-(2-Hydroxyethoxymethyl)-5-methyl-3-prop-2-enylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(2-Hydroxyethoxy)methyl]-5-methyl-3-(prop-2-en-1-yl)pyrimidine-2,4(1h,3h)-dione","","CC1=CN(C(=O)N(C1=O)CC=C)COCCO","OPNTXICHYNCWEN-UHFFFAOYSA-N","386539",NA,"PDBC08512","678971","Present"
-"1-(2-Hydroxyethyl)-1-(prop-2-en-1-yl)-2-tridecyl-4,5-dihydro-1H-imidazol-1-ium chloride","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyethyl)-1-(prop-2-en-1-yl)-2-tridecyl-4,5-dihydro-1H-imidazol-1-ium chloride","","CCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC=C.[Cl-]","QDSGRJYOUGDFOE-UHFFFAOYSA-M","24183908",NA,"PDBC08513","31706","Present"
-"1-(2-Hydroxyethyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxyethyl)-1-[2-oxo-6-phenyl-4-(trifluoromethyl)-1h-pyridin-3-yl]urea","","C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)NC(=O)NCCO)C(F)(F)F","TUWIDVJESWSRIO-UHFFFAOYSA-N","397738",NA,"PDBC08514","706161","Present"
-"1-(2-Hydroxyethyl)-3-methoxy-2-methylpyridin-4-one","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyethyl)-3-methoxy-2-methylpyridin-4-one","","CC1=C(C(=O)C=CN1CCO)OC","DRIHXDIRNKVFMV-UHFFFAOYSA-N","336938",NA,"PDBC08515","353265","Present"
-"1-(2-Hydroxyethyl)-4-(tetrahydro-2H-pyran-2-ylamino)-2(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyethyl)-4-(tetrahydro-2H-pyran-2-ylamino)-2(1H)-pyrimidinone","","C1CCOC(C1)NC2=NC(=O)N(C=C2)CCO","GQFIIIIRKYCONY-UHFFFAOYSA-N","367647",NA,"PDBC08516","637525","Present"
-"1-(2-Hydroxyethyl)-4-(tritylamino)pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyethyl)-4-(tritylamino)pyrimidin-2-one","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCO","WTCLIRHSFPFRAG-UHFFFAOYSA-N","368675",NA,"PDBC08517","639793","Present"
-"1-(2-Hydroxyethyl)-5-[(2,2,2-trifluoroacetyl)amino]imidazole-4-carboximidoyl cyanide","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyethyl)-5-[(2,2,2-trifluoroacetyl)amino]imidazole-4-carboximidoyl cyanide","","C1=NC(=C(N1CCO)NC(=O)C(F)(F)F)C(=N)C#N","BQEFZOQOPWCLLW-UHFFFAOYSA-N","382610",NA,"PDBC08518","670251","Present"
-"1-(2-Hydroxyethylamino)-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea;oxalic acid","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyethylamino)-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea;oxalic acid","","C1=CC(=CC=C1C=NNC(=O)NNCCO)O.C(=O)(C(=O)O)O","JBAQVVDBBDRUSB-RRAJOLSVSA-N","135509173",NA,"PDBC08519","666459","Present"
-"1-(2-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5O","LJEATZMVKVKOFJ-UHFFFAOYSA-N","380667",NA,"PDBC08520","666361","Present"
-"1-(2-Hydroxyphenyl)-5-phenyl-1,4-pentadien-3-one","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyphenyl)-5-phenyl-1,4-pentadien-3-one","","C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2O","FDFRSFSHWUDRTJ-DCIPZJNNSA-N","5904790",NA,"PDBC08521","636788","Present"
-"1-(2-Hydroxypropyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxypropyl)-1-[2-oxo-6-phenyl-4-(trifluoromethyl)-1h-pyridin-3-yl]urea","","CC(CNC(=O)NC1=C(C=C(NC1=O)C2=CC=CC=C2)C(F)(F)F)O","GMLUKWBSFRTUCR-UHFFFAOYSA-N","397739",NA,"PDBC08522","706162","Present"
-"1-(2-Imidazol-1-ylethyl)benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2-Imidazol-1-ylethyl)benzimidazole","","C1=CC=C2C(=C1)N=CN2CCN3C=CN=C3","SQHLVTLZGNYQEK-UHFFFAOYSA-N","381650",NA,"PDBC08523","668469","Present"
-"1-(2-Imidazolin-2-ylmethyl)-2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepine","","","","","","","","","","","","","","","","","","","","1-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepine","","CC1C=C(C2=CC=CC=C2N(C1C)CC3=NCCN3)C","JPTHAHKJDYSVKJ-UHFFFAOYSA-N","379690",NA,"PDBC08524","664565","Present"
-"1-(2-Iodo-1-(4-methoxyphenyl)-2-phenylvinyl)-4-methoxybenzene","","","","","","","","","","","","","","","","","","","","1-(2-Iodo-1-(4-methoxyphenyl)-2-phenylvinyl)-4-methoxybenzene","","COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)I)C3=CC=C(C=C3)OC","UGBCVDIGSLYABR-UHFFFAOYSA-N","384602",NA,"PDBC08525","674614","Present"
-"1-(2-Iodylphenyl)pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","1-(2-iodylphenyl)pyrrolidin-2-one","","C1CC(=O)N(C1)C2=CC=CC=C2I(=O)=O","NOGNVOSXKAINSE-UHFFFAOYSA-N","24205924",NA,"PDBC08526","737261","Present"
-"1-(2-Methoxy-5-methylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methoxy-5-methylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea","","CC1=CC(=C(C=C1)OC)NC(=S)NN=CC2=CC=C(C=C2)OC","MWXCSPXTLQOAJT-WOJGMQOQSA-N","9572440",NA,"PDBC08527","716181","Present"
-"1-(2-Methoxy-5-methylphenyl)-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methoxy-5-methylphenyl)-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiourea","","CC1=CC(=C(C=C1)OC)NC(=S)NN=CC2=CC=C(C=C2)SC","RYBSUMZQGTWHSI-WOJGMQOQSA-N","9572439",NA,"PDBC08528","716180","Present"
-"1-(2-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine","","","","","","","","","","","","","","","","","","","","9-Acridine, 9-[(4-chlorophenyl)hydrazino]-2-methoxy- 6-n...","","COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=C(C=C4)Cl","PFOKMOALFBOTCS-UHFFFAOYSA-N","4267516",NA,"PDBC08529","689873","Present"
-"1-(2-Methoxy-6-nitroacridin-9-yl)-2-(4-nitrophenyl)hydrazine","","","","","","","","","","","","","","","","","","","","9-Acridine, 9-[(4-nitrophenyl)hydrazino]-2-methoxy- 6-ni...","","COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=C(C=C4)[N+](=O)[O-]","LLXIGXZMMNBPFW-UHFFFAOYSA-N","5142005",NA,"PDBC08530","689874","Present"
-"1-(2-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine","","","","","","","","","","","","","","","","","","","","Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-","","COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=CC=C4","WGFIQRJRSMXFIZ-UHFFFAOYSA-N","3734221",NA,"PDBC08531","689872","Present"
-"1-(2-Methoxyethoxymethoxy)-4-phenylmethoxybenzene","","","","","","","","","","","","","","","","","","","","1-(2-Methoxyethoxymethoxy)-4-phenylmethoxybenzene","","COCCOCOC1=CC=C(C=C1)OCC2=CC=CC=C2","HCCHMPGTHDZHEN-UHFFFAOYSA-N","358352",NA,"PDBC08532","618319","Present"
-"1-(2-Methoxyphenyl)-1-methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-methoxyphenyl)-...","","CC1(N2C(=NC3=CC=CC=C32)CS1)C4=CC=CC=C4OC","ZDBBSXMWUWJPBR-UHFFFAOYSA-N","374970",NA,"PDBC08533","653685","Present"
-"1-(2-Methoxyphenyl)-3-(6-methyl-2-pyridyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methoxyphenyl)-3-(6-methyl-2-pyridyl)thiourea","","CC1=NC(=CC=C1)NC(=S)NC2=CC=CC=C2OC","FWWXHDXTNPJKNG-UHFFFAOYSA-N","3001925",NA,"PDBC08534","695055","Present"
-"1-(2-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","COC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","BIZMHLGKKPPDJF-UHFFFAOYSA-N","3005270",NA,"PDBC08535","687867","Present"
-"1-(2-Methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","CC1=NC(=CC=C1)C=NNC(=S)NC2=CC=CC=C2OC","NPLDVFDLXXEHQN-MHWRWJLKSA-N","9571481",NA,"PDBC08536","670962","Present"
-"1-(2-Methoxyphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methoxyphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea","","COC1=CC=CC=C1NC(=S)NN=CC2=CC=CC=N2","DOVQMBJFJCZODZ-MHWRWJLKSA-N","9554753",NA,"PDBC08537","668298","Present"
-"1-(2-Methoxyphenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methoxyphenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","CC(=NNC(=S)NC1=CC=CC=C1OC)C2=CC=CC=N2","PHYCOZLZEUMCBU-WQRHYEAKSA-N","5367237",NA,"PDBC08538","668297","Present"
-"1-(2-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea","","CC(=NNC(=S)NC1=CC=CC=C1OC)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=CC=C3OC)C","SDKLFDOIAQBKJQ-MALYEEFDSA-N","5869044",NA,"PDBC08539","668491","Present"
-"1-(2-Methoxyphenyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methoxyphenyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea","","COC1=CC=CC=C1NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","GCSKJVXUKXNQHK-NMWGTECJSA-N","5907304",NA,"PDBC08540","668331","Present"
-"1-(2-Methoxyphenyl)-3-[10-[3-(2-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-10-oxo-decanoyl]-2-thioxo-hexahydropyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","1-(2-Methoxyphenyl)-3-[10-[3-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-10-oxodecanoyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","COC1=CC=CC=C1N2C(=O)CC(=O)N(C2=S)C(=O)CCCCCCCCC(=O)N3C(=O)CC(=O)N(C3=S)C4=CC=CC=C4OC","CTRZCGRTYPRVIA-UHFFFAOYSA-N","395654",NA,"PDBC08541","700436","Present"
-"1-(2-Methoxyphenyl)-3-pyridin-2-ylthiourea","","","","","","","","","","","","","","","","","","","","STK135281","","COC1=CC=CC=C1NC(=S)NC2=CC=CC=N2","BHHLCPFNFSARSO-UHFFFAOYSA-N","706957",NA,"PDBC08542","695052","Present"
-"1-(2-Methyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(2-Methyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethanone","","CC1=C(N2C=CC=CC2N1)C(=O)C","YQFNXDATLXFZMN-UHFFFAOYSA-N","374036",NA,"PDBC08543","651215","Present"
-"1-(2-Methyl-4-oxo-3-phenyl-quinazolin-6-yl)-3-phenyl-thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methyl-4-oxo-3-phenyl-quinazolin-6-yl)-3-phenyl-thiourea","","CC1=NC2=C(C=C(C=C2)NC(=S)NC3=CC=CC=C3)C(=O)N1C4=CC=CC=C4","WPIXMQWRMDCHEW-UHFFFAOYSA-N","3005171",NA,"PDBC08544","679219","Present"
-"1-(2-Methyl-5-nitro-1h-imidazol-1-yl)-3-(3-nitro-1h-1,2,4-triazol-1-yl)propan-2-ol","","","","","","","","","","","","","","","","","","","","1-[(2-hydroxy-3-(2-methyl-5-nitroimidazolyl)-propyl]-3-n...","","CC1=NC=C(N1CC(CN2C=NC(=N2)[N+](=O)[O-])O)[N+](=O)[O-]","VWRCFCMUUYLSDU-UHFFFAOYSA-N","371294",NA,"PDBC08545","645369","Present"
-"1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea","","","","","","","","","","","","","","","","","","","","1-[2-Methyl-5-(propan-2-yl)phenyl]-3-(4-nitrophenyl)urea","","CC1=C(C=C(C=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]","MWOGFXQEYSUZBC-UHFFFAOYSA-N","240350",NA,"PDBC08546","46492","Present"
-"1-(2-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(2-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","CC1=CC=CC=C1C2N3C(=NC4=CC=CC=C43)CS2","ZTMUGRMOFPWTFX-UHFFFAOYSA-N","362616",NA,"PDBC08547","626757","Present"
-"1-(2-Naphthalenyl)-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","NE11486","","C1=CC=C2C=C(C=CC2=C1)N3C(=O)C=CC3=O","ISPTVBCAVIHHEF-UHFFFAOYSA-N","243251",NA,"PDBC08548","52627","Present"
-"1-(2-Naphthyl)-1-chloro-1-propenyl-3-(3-methylphenyl)-imino chloride","","","","","","","","","","","","","","","","","","","","1-(2-naphthyl)-1-chloro-1-propenyl-3-(3-methylphenyl)-im...","","CC1=CC(=CC=C1)N=CC=C(C2=CC3=CC=CC=C3C=C2)Cl.Cl","GUYSJNIZVGBVPA-VYAKPLSASA-N","5473042",NA,"PDBC08549","723527","Present"
-"1-(2-Naphthyl)-1-chloro-1-propenyl-3-(4-iodophenyl)-imino chloride","","","","","","","","","","","","","","","","","","","","1-(2-naphthyl)-1-chloro-1-propenyl-3-(4-iodophenyl)-imin...","","C1=CC=C2C=C(C=CC2=C1)C(=CC=NC3=CC=C(C=C3)I)Cl.Cl","CJKRYMHFLVYKHG-MQGQIZMRSA-N","5473040",NA,"PDBC08550","723526","Present"
-"1-(2-Naphthyl)-1-chloro-1-propenyl-3-N,N-(dimethyl)-imino chloride","","","","","","","","","","","","","","","","","","","","1-(2-naphthyl)-1-chloro-1-propenyl-3-N,N-(dimethyl)-imin...","","C[N+](=CC=C(C1=CC2=CC=CC=C2C=C1)Cl)C.[Cl-]","UEOLWKCQLMAJFN-SOCRLDLMSA-M","5473036",NA,"PDBC08551","723524","Present"
-"1-(2-Naphthyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","1-(naphthalen-2-yl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole","","COC1=CC(=CC(=C1OC)OC)C2=NC=CN2C3=CC4=CC=CC=C4C=C3","QHLHXSSILZPKFF-UHFFFAOYSA-N","11639084",NA,"PDBC08552","736994","Present"
-"1-(2-Naphthyl)-3-(4-carbethoxyphenyl)imino-1-propenyl-1-(4-c arbethoxyphenyl)amine","","","","","","","","","","","","","","","","","","","","1-(2-naphthyl)-3-(4-carbethoxyphenyl)imino-1-propenyl-1-...","","CCOC(=O)C1=CC=C(C=C1)NC(=CC=NC2=CC=C(C=C2)C(=O)OCC)C3=CC4=CC=CC=C4C=C3.Cl","CIKQDGRNVAFCSR-NFBXXFPWSA-N","5473044",NA,"PDBC08553","723528","Present"
-"1-(2-Naphthyl)-3-iminophenyl-1-propenyl-1-phenylamino hydrochloride","","","","","","","","","","","","","","","","","","","","1-(2-naphthyl)-3-iminophenyl-1-propenyl-1-phenylamino hy...","","C1=CC=C(C=C1)NC(=CC=NC2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3.Cl","XOOXEZBTDAAAQY-UWXCJXMQSA-N","5473046",NA,"PDBC08554","723529","Present"
-"1-(2-Naphthyl)ethanonethiosemicarbazone","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]-","","CC(=NNC(=S)N)C1=CC2=CC=CC=C2C=C1","PMXAAMWMXCVPGX-DHDCSXOGSA-N","5418163",NA,"PDBC08555","204686","Present"
-"1-(2-Naphtyl)-1-chloro-1-propenyl-3-(4-carbethoxyphenyl)-imi no chloride","","","","","","","","","","","","","","","","","","","","1-(2-naphtyl)-1-chloro-1-propenyl-3-(4-carbethoxyphenyl)...","","CCOC1=CC=C(C=C1)N=CC=C(C2=CC3=CC=CC=C3C=C2)Cl.Cl","FNQSTWUORACNCU-LEWFWPQISA-N","5473038",NA,"PDBC08556","723525","Present"
-"1-(2-Nitrophenyl)piperidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","EN300-87029","","C1CCN(C(C1)C(=O)O)C2=CC=CC=C2[N+](=O)[O-]","DIIOPDWAPOGYKM-UHFFFAOYSA-N","362871",NA,"PDBC08557","627277","Present"
-"1-(2-Oxo-2-pyridin-3-ylethyl)-3-phenylquinoxalin-2-one","","","","","","","","","","","","","","","","","","","","1-(2-Oxo-2-pyridin-3-ylethyl)-3-phenylquinoxalin-2-one","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CC(=O)C4=CN=CC=C4","NYUOJKXXJKFQDZ-UHFFFAOYSA-N","11975301",NA,"PDBC08558","734785","Present"
-"1-(2-Oxo-3-(phenylsulfonyl)propyl)-2-pyrrolidinone","","","","","","","","","","","","","","","","","","","","1-(2-Oxo-3-(phenylsulfonyl)propyl)-2-pyrrolidinone","","C1CC(=O)N(C1)CC(=O)CS(=O)(=O)C2=CC=CC=C2","DJIUNCBXGRIUEX-UHFFFAOYSA-N","373301",NA,"PDBC08559","649450","Present"
-"1-(2-Oxoindolin-3-ylidene)-4-propylthiosemicarbazide","","","","","","","","","","","","","","","","","","","","1-(2-Oxoindolin-3-ylidene)-4-propylthiosemicarbazide","","CCCNC(=S)N=NC1=C(NC2=CC=CC=C21)O","ZCFOCMSKXQEFJD-UHFFFAOYSA-N","3005056",NA,"PDBC08560","668492","Present"
-"1-(2-Phenoxyethyl)-5-(3-methylphenylamino)uracil","","","","","","","","","","","","","","","","","","","","1-(2-Phenoxyethyl)-5-(3-methylphenylamino)uracil","","CC1=CC(=CC=C1)NC2=CN(C(=O)NC2=O)CCOC3=CC=CC=C3","IQIGZIXMRTXMAB-UHFFFAOYSA-N","395057",NA,"PDBC08561","699246","Present"
-"1-(2-Phenoxyethyl)-5-(phenylamino)uracil","","","","","","","","","","","","","","","","","","","","1-(2-Phenoxyethyl)-5-(phenylamino)uracil","","C1=CC=C(C=C1)NC2=CN(C(=O)NC2=O)CCOC3=CC=CC=C3","AQOGJODFUGMEFN-UHFFFAOYSA-N","395054",NA,"PDBC08562","699243","Present"
-"1-(2-Phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","","","",NA,"PDBC08563","671954","Present"
-"1-(2-Phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-thienyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-thienyl)ethylideneamino]thiourea","","","","",NA,"PDBC08564","671953","Present"
-"1-(2-Phenyl-5-(1-piperidinyl)pentyl)cyclopentanecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-(2-Phenyl-5-(1-piperidinyl)pentyl)cyclopentanecarboxylic acid","","C1CCN(CC1)CCCC(CC2(CCCC2)C(=O)O)C3=CC=CC=C3","OMGWSFIOYLICKQ-UHFFFAOYSA-N","380031",NA,"PDBC08565","665326","Present"
-"1-(2-Phenylethyl)-1,2,4-triazole;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC641539","","C1=CC=C(C=C1)CCN2C=NC=N2.Cl","PCSBBAZZJJMEEO-UHFFFAOYSA-N","369627",NA,"PDBC08566","641539","Present"
-"1-(2-Phenylethyl)pyridin-1-ium-3-carbohydrazide;bromide","","","","","","","","","","","","","","","","","","","","1-(2-Phenylethyl)pyridin-1-ium-3-carbohydrazide;bromide","","C1=CC=C(C=C1)CC[N+]2=CC=CC(=C2)C(=O)NN.[Br-]","NLYLGDCXCCUQCC-UHFFFAOYSA-N","5351725",NA,"PDBC08567","26904","Present"
-"1-(2-Phenylethynyl)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene","","","","","","","","","","","","","","","","","","","","1-(2-Phenylethynyl)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene","","C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CC3=CC=C(C=C3)C(F)(F)F","WGAZGCYXOJDUCI-UHFFFAOYSA-N","24203204",NA,"PDBC08568","727176","Present"
-"1-(2-Piperidin-2-ylethyl)piperidine","","","","","","","","","","","","","","","","","","","","Maybridge3_000328","","C1CCN(CC1)CCC2CCCCN2","SKMHPZXWMNAWGC-UHFFFAOYSA-N","296291",NA,"PDBC08569","166302","Present"
-"1-(2-Propynyl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-(Prop-2-yn-1-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","","C#CCN1C2=C(C=CC=N2)C(=O)NC1=O","SEDDJNQPTKBSCP-UHFFFAOYSA-N","363805",NA,"PDBC08570","629019","Present"
-"1-(2-Pyridinyl)ethanone N-cyclopentylthiosemicarbazone","","","","","","","","","","","","","","","","","","","","NSC670783","","CC(=NNC(=S)NC1CCCC1)C2=CC=CC=N2","VLBWJLNPSKLPBI-MHWRWJLKSA-N","5494341",NA,"PDBC08571","670783","Present"
-"1-(2-Pyridylazo)-2-naphthol","","","","","","","","","","","","","","","","","","","","pan (van)","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=N3)O","LLYOXZQVOKALCD-UHFFFAOYSA-N","6825",NA,"PDBC08572","5332","Present"
-"1-(2-Quinolinylmethyl)-2-[2-(2-methoxyethoxy)ethoxymethyl]-3-(2-naphthylmethyl)-1H-benzoimidazole-3-ium","","","","","","","","","","","","","","","","","","","","2-((2-(2-methoxyethoxy)ethoxy)methyl)-1-(naphthalen-2-yl...","","COCCOCCOCC1=[N+](C2=CC=CC=C2N1CC3=NC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","QDUXPUPOBLWAQP-UHFFFAOYSA-N","132547213",NA,"PDBC08573","791106","Present"
-"1-(2-Thiazolylazo)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-(2-thiazoylazo)-2-naphthol","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC=CS3)O","IOMXCGDXEUDZAK-UHFFFAOYSA-N","93572",NA,"PDBC08574","139021","Present"
-"1-(2-Thienyl)-2,4-di(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","1-(2-Thienyl)-2,4-di(3-thienyl)-1,4-butanedione","","C1=CSC(=C1)C(=O)C(CC(=O)C2=CSC=C2)C3=CSC=C3","UJIZUKHHTVTWMC-UHFFFAOYSA-N","376713",NA,"PDBC08575","657759","Present"
-"1-(2-Thienyl)-4-[(4-phenylthiazole-2-yl)amino]-1-butanone","","","","","","","","","","","","","","","","","","","","4-[(4-Phenyl-1,3-thiazol-2-yl)amino]-1-thiophen-2-ylbutan-1-one","","C1=CC=C(C=C1)C2=CSC(=N2)NCCCC(=O)C3=CC=CS3","OJAPDEHYUWRWCP-UHFFFAOYSA-N","393773",NA,"PDBC08576","696458","Present"
-"1-(2-{(2Z)-2-[2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-1-(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-2-oxoethylidene]hydrazino}-2-oxoethyl)pyridinium chloride","","","","","","","","","","","","","","","","","","","","(2E)-N-(3-Chloro-1,4-dihydroxynaphthalen-2-yl)-2-(7-hydroxy-2,4-dioxochromen-3-ylidene)-2-[(2-pyridin-1-ium-1-ylacetyl)diazenyl]acetamide;chloride","","C1=CC=[N+](C=C1)CC(=O)N=NC(=C2C(=O)C3=C(C=C(C=C3)O)OC2=O)C(=O)NC4=C(C5=CC=CC=C5C(=C4Cl)O)O.[Cl-]","ZZWLNTFVXDIUAL-UHFFFAOYSA-N","135483951",NA,"PDBC08577","649826","Present"
-"1-(2-{2-[(2Z)-3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)prop-2-enoyl]hydrazino}-2-oxoethyl)pyridinium chloride","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-(1,3-Benzodioxol-5-yl)-3-oxo-3-[2-(2-pyridin-1-ium-1-ylacetyl)hydrazinyl]prop-1-en-2-yl]benzamide;chloride","","C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NNC(=O)C[N+]3=CC=CC=C3)NC(=O)C4=CC=CC=C4.[Cl-]","GFFGPNOPBSYXKX-OKOHOLKASA-N","6474137",NA,"PDBC08578","642618","Present"
-"1-(2-{2-[3-(4,5-Dichloro-3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)propanoyl]hydrazino}-2-oxoethyl)pyridinium chloride","","","","","","","","","","","","","","","","","","","","3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N'-(2-pyridin-1-ium-1-ylacetyl)propanehydrazide","","C1=CC=[N+](C=C1)CC(=O)NNC(=O)CCN2C(=O)C(=C(C(=O)N2)Cl)Cl.[Cl-]","PDIZYSBKMAVKFG-UHFFFAOYSA-N","364805",NA,"PDBC08579","631564","Present"
-"1-(2H-1,3-Benzothiazol-3-yl)-N-[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]methanimine","","","","","","","","","","","","","","","","","","","","1-(2H-1,3-Benzothiazol-3-yl)-N-[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]methanimine","","CC(C)C(COC(C)(C)C)N=CN1CSC2=CC=CC=C21","BFDOIKVDQVSVGE-AWEZNQCLSA-N","359179",NA,"PDBC08580","619861","Present"
-"1-(2H-Chromen-3-yl)-3-phenyl-prop-2-yn-1-one","","","","","","","","","","","","","","","","","","","","2-Propyn-1-one, 1-(2H-1-benzopyran-3-yl)-3-phenyl-","","C1C(=CC2=CC=CC=C2O1)C(=O)C#CC3=CC=CC=C3","ZYFJCSFYKVNKSF-UHFFFAOYSA-N","333501",NA,"PDBC08581","334717","Present"
-"1-(3'-(1-(2-Morpholinoethyl)-1H-pyrazol-3-yl)biphenyl-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(3'-{1-[2-(4-morpholinyl)ethyl]-1H-pyrazol-3-yl}-3-bip...","","CC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C3=NN(C=C3)CCN4CCOCC4","SLRQICGVSRRRDI-UHFFFAOYSA-N","29182137",NA,"PDBC08582","765370","Present"
-"1-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-2-thioxo-hexahydropyrimidin-4-one","","","","","","","","","","","","","","","","","","","","1-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-2-thioxo-hexahydropyrimidin-4-one","","C1CN(C(=S)NC1=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F","GKEUYQGSCFJUCA-UHFFFAOYSA-N","3004457",NA,"PDBC08583","656704","Present"
-"1-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]urea","","C(CNC(=O)NC1C(C(C(C(O1)CO)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","QIDHQCANKQTGNH-UHFFFAOYSA-N","381245",NA,"PDBC08584","667649","Present"
-"1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea","","C(CNC(=S)NC1C(C(C(C(O1)CO)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","VJOQVDIWHZMJQJ-UHFFFAOYSA-N","3005010",NA,"PDBC08585","667647","Present"
-"1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylsulfanylmethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylsulfanylmethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea","","C(CSCNC(=S)NC1C(C(C(C(O1)CO)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","IFIJMYQOIRJDHF-UHFFFAOYSA-N","3005009",NA,"PDBC08586","667646","Present"
-"1-(3,3-Dimethylbut-1-ynyl)-1$l^{3},2-benziodoxol-3-one","","","","","","","","","","","","","","","","","","","","1-(3,3-Dimethyl-1-butynyl)-1,2-benziodoxol-3(1H)-one","","CC(C)(C)C#CI1C2=CC=CC=C2C(=O)O1","RURXVEGVOXUPMU-UHFFFAOYSA-N","392250",NA,"PDBC08587","692391","Present"
-"1-(3,3-Dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea","","","","","","","","","","","","","","","","","","","","NSC781761///NSC801010","","CC1=CC(=C(C=C1C2=C(N=C3C(=C2)C=NC(=N3)NC)C)NC(=O)NCCC(C)(C)C)F","HHCBMISMPSAZBF-UHFFFAOYSA-N","71721540",NA,"PDBC08588","781761///801010","Present"
-"1-(3,4,5-Trihydroxytetrahydropyran-2-yl)-3-[6-[(3,4,5-trihydroxytetrahydropyran-2-yl)carbamoylamino]hexyl]urea","","","","","","","","","","","","","","","","","","","","1-(3,4,5-Trihydroxyoxan-2-yl)-3-[6-[(3,4,5-trihydroxyoxan-2-yl)carbamoylamino]hexyl]urea","","C1C(C(C(C(O1)NC(=O)NCCCCCCNC(=O)NC2C(C(C(CO2)O)O)O)O)O)O","FDBRPNHUDYLQCO-UHFFFAOYSA-N","361623",NA,"PDBC08589","624808","Present"
-"1-(3,4,5-Trimethoxyphenyl)-2,5-bis(4-methoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","2,5-bis(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-i...","","COC1=CC=C(C=C1)C2=CN=C(N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)OC","IPAXFBGCELZYGL-UHFFFAOYSA-N","11408209",NA,"PDBC08590","735356","Present"
-"1-(3,4,5-Trimethoxyphenyl)-2-(2-naphthyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole","","COC1=CC(=CC(=C1OC)OC)N2C=CN=C2C3=CC4=CC=CC=C4C=C3","NJSASTDWMGNLHN-UHFFFAOYSA-N","11559546",NA,"PDBC08591","736993","Present"
-"1-(3,4,5-Trimethoxyphenyl)-2-(4-methoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole","","COC1=CC=C(C=C1)C2=NC=CN2C3=CC(=C(C(=C3)OC)OC)OC","NRFSVLJKNUSJIN-UHFFFAOYSA-N","11233092",NA,"PDBC08592","735355","Present"
-"1-(3,4,5-Trimethoxyphenyl)-5-(3-fluoro-4-methoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","5-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-...","","COC1=C(C=C(C=C1)C2=CN=CN2C3=CC(=C(C(=C3)OC)OC)OC)F","FAISKABSGVBZCD-UHFFFAOYSA-N","11233655",NA,"PDBC08593","736359","Present"
-"1-(3,4,5-Trimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole","","COC1=CC=C(C=C1)C2=CN=CN2C3=CC(=C(C(=C3)OC)OC)OC","UJOMKZPXJHLOAT-UHFFFAOYSA-N","11290749",NA,"PDBC08594","733436","Present"
-"1-(3,4-Dichlorophenyl)-2-(2-pyridinyl)-4,5-dihydro-2H-benzo[e]indazole","","","","","","","","","","","","","","","","","","","","1-(3,4-Dichloro-phneyl)-2-pyridin-2-yl-4,5-dihydro-2H-be...","","C1CC2=NN(C(=C2C3=CC=CC=C31)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=N5","YXEFMDVGQJQOOB-UHFFFAOYSA-N","7225542",NA,"PDBC08595","735171","Present"
-"1-(3,4-Dichlorophenyl)-2-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(3,4-dichlorophenyl)-3-(4-(1-ethylpiperidin-3-ylamino)...","","CCN1CCCC(C1)NC2=NC(=NC(=C2)C)N=C(N)NC3=CC(=C(C=C3)Cl)Cl.Cl","GALFBGHJLAHJMD-UHFFFAOYSA-N","54610863",NA,"PDBC08596","305761","Present"
-"1-(3,4-Dichlorophenyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","1-(3,4-Dichlorophenyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea","","C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)S(=O)(=O)N)Cl)Cl","TWHYYPIAGPPMKW-UHFFFAOYSA-N","394902",NA,"PDBC08597","698994","Present"
-"1-(3,4-Dichlorophenyl)-3-phenylurea","","","","","","","","","","","","","","","","","","","","NSC70258","","C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl","QQYLEGFGULSHPX-UHFFFAOYSA-N","250642",NA,"PDBC08598","70258","Present"
-"1-(3,4-Dichlorophenyl)-3-tetradecylurea","","","","","","","","","","","","","","","","","","","","1-(3,4-Dichlorophenyl)-3-tetradecylurea","","CCCCCCCCCCCCCCNC(=O)NC1=CC(=C(C=C1)Cl)Cl","MZEPEDBUXSSGSY-UHFFFAOYSA-N","268086",NA,"PDBC08599","108150","Present"
-"1-(3,4-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3,4-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=C(C=C4)Cl)Cl","IVTOTLGRAFMIKZ-UHFFFAOYSA-N","361694",NA,"PDBC08600","624916","Present"
-"1-(3,4-Dichlorophenyl)-4,4-dimethyl-5-(1-piperidinyl)pent-1-en-3-one hydrochloride","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-Dichlorophenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one","","CC(C)(CN1CCCCC1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl.Cl","XORDGCNYEYBAGN-BXTVWIJMSA-N","6474493",NA,"PDBC08601","640682","Present"
-"1-(3,4-Dichlorophenyl)-4-methylpent-1-en-3-one","","","","","","","","","","","","","","","","","","","","1-(3,4-Dichlorophenyl)-4-methylpent-1-en-3-one","","CC(C)C(=O)C=CC1=CC(=C(C=C1)Cl)Cl","QHYGIPBTAZKCSI-GQCTYLIASA-N","6284815",NA,"PDBC08602","651784","Present"
-"1-(3,4-Difluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","1-(3,4-difluorophenyl)-3-(6-methoxy-1H-benzo[d]imidazol-...","","COC1=CC2=C(C=C1)N=C(N2)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC(=C(C=C6)F)F","JFCDAUAVPMACJB-UHFFFAOYSA-N","155814521",NA,"PDBC08603","764570","Present"
-"1-(3,4-Dihydro-1H-[1,4]selenazino[4,3-a]benzimidazol-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(3,4-Dihydro-1H-[1,4]selenazino[4,3-a]benzimidazol-3-yl)ethanone","","CC(=O)C1CN2C(=NC3=CC=CC=C32)C[Se]1","ANTJZFGQGDDXNO-UHFFFAOYSA-N","362760",NA,"PDBC08604","627020","Present"
-"1-(3,4-Dihydroxy-5-methyloxolan-2-yl)-5-fluoro-4-(hexadecylamino)pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-(3,4-Dihydroxy-5-methyloxolan-2-yl)-5-fluoro-4-(hexadecylamino)pyrimidin-2-one","","CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O","CYDFAUMGIFQYHF-UHFFFAOYSA-N","387051",NA,"PDBC08605","680419","Present"
-"1-(3,4-Dihydroxyphenyl)-5,6-dimethyl-benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3,4-dihydroxybenzyl)-2-(3,4-dihydroxyphenyl)-5,6-dime...","","CC1=CC2=C(C=C1C)N(C(=N2)C3=CC(=C(C=C3)O)O)CC4=CC(=C(C=C4)O)O","KQVRGQYUWPKTKJ-UHFFFAOYSA-N","135585441",NA,"PDBC08606","728197","Present"
-"1-(3,4-Dihydroxyphenyl)benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3,4-dihydroxybenzyl)-2-(3,4-dihydroxyphenyl)benzimida...","","C1=CC=C2C(=C1)N=C(N2CC3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O","VFPPTQXNQGTSLG-UHFFFAOYSA-N","404171",NA,"PDBC08607","720323","Present"
-"1-(3,4-Dimethoxybenzhydryl)-5-oxopyrrolidine-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","1-(3,4-Dimethoxybenzhydryl)-5-oxopyrrolidine-2-carboxylic acid methyl ester","","COC1=C(C=C(C=C1)C(C2=CC=CC=C2)N3C(CCC3=O)C(=O)OC)OC","NCBACGVNPSVGJA-UHFFFAOYSA-N","384219",NA,"PDBC08608","673624","Present"
-"1-(3,4-Dimethoxybenzylidene)indene","","","","","","","","","","","","","","","","","","","","1-(3,4-dimethoxybenzylidene)indene","","COC1=C(C=C(C=C1)C=C2C=CC3=CC=CC=C32)OC","HGNGSNBKARRPLI-RVDMUPIBSA-N","5468268",NA,"PDBC08609","666872","Present"
-"1-(3,4-Dimethoxyphenyl)-3-(4-(3-(4-(3-(3,4-dimethoxyphenyl)-3-oxo-1-propenyl)phenoxy)propoxy)phenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[3-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenoxy]propoxy]phenyl]prop-2-en-1-one","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC(=C(C=C4)OC)OC)OC","YKBYBDNUAFXCAN-XOBNHNQQSA-N","5467690",NA,"PDBC08610","657872","Present"
-"1-(3,4-Dimethoxyphenyl)-3-(4-pyridinyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","1-(3,4-Dimethoxyphenyl)-3-(4-pyridinyl)-2-propen-1-one","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC=NC=C2)OC","FLXXEIREWHPHOS-HWKANZROSA-N","5468165",NA,"PDBC08611","665693","Present"
-"1-(3,4-Dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one","","","","","","","","","","","","","","","","","","","","1-(3,4-Dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenyl)pro...","","COC1=C(C=C(C=C1)C(=O)C(CO)OC2=CC=CC=C2OC)OC","LILXBGDHLUCSNI-UHFFFAOYSA-N","369617",NA,"PDBC08612","641528","Present"
-"1-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-2-(4-nitrophenyl)-3-[(4-nitrophenyl)methyl]-2,3-dihydro-1H-indene","","","","","","","","","","","","","","","","","","","","1-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-2-(4-nitrophenyl)-3-[(4-nitrophenyl)methyl]indane","","COC1=C(C=C(C=C1)C2C(C(C3=CC(=C(C=C23)OC)OC)CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])OC","JTHMNHQWYMUBOV-UHFFFAOYSA-N","365186",NA,"PDBC08613","632479","Present"
-"1-(3,4-Dimethylphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(3,4-Dimethylphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C","CIOOHZQGACKSCX-UHFFFAOYSA-N","3005273",NA,"PDBC08614","687870","Present"
-"1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)urea","","","","","","","","","","","","","","","","","","","","1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-(3-(4-chloro-3-h...","","C1=CC(=CC=C1NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","PAPFEVGTAKFXTE-UHFFFAOYSA-N","56935330",NA,"PDBC08615","753179","Present"
-"1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)urea","","","","","","","","","","","","","","","","","","","","1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-(3-(4-chloro-3-m...","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl","BLVCYIOPWLMFNR-UHFFFAOYSA-N","56649612",NA,"PDBC08616","753178","Present"
-"1-(3,5-Bis(trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3,5-Bis(trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","BGVYVUAYXACWTA-UHFFFAOYSA-N","366139",NA,"PDBC08617","634466","Present"
-"1-(3,5-Di-tert-butyl-1-methyl-4-oxo-2,5-cyclohexadien-1-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-(3,5-Di-tert-butyl-1-methyl-4-oxo-2,5-cyclohexadien-1-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione","","CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)N2C(=O)N(C(=O)N2)C3=CC=CC=C3","MCIYOVPACWHTHE-UHFFFAOYSA-N","391646",NA,"PDBC08618","691132","Present"
-"1-(3,5-Di-tert-butyl-2-hydroxyphenyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-(3,5-Di-tert-butyl-2-hydroxyphenyl)-4-methyl-2-(pentamethylphenyl)-1,2,4-triazolidine-3,5-dione","","CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2C3=CC(=CC(=C3O)C(C)(C)C)C(C)(C)C)C)C)C","HAKAIRQQUKYEAJ-UHFFFAOYSA-N","391920",NA,"PDBC08619","691600","Present"
-"1-(3,5-Dichlorophenyl)-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(3,5-dichlorophenyl)-3-(4-(3,4,5-trimethoxyphenyl)thia...","","COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)NC3=CC(=CC(=C3)Cl)Cl","KHNXUVXFTKBXNG-UHFFFAOYSA-N","155810379",NA,"PDBC08620","795216","Present"
-"1-(3,5-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3,5-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC(=C4)Cl)Cl","AHXUUJOITLLYDA-UHFFFAOYSA-N","362622",NA,"PDBC08621","626763","Present"
-"1-(3,5-Diethyl-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(3,5-Diethyl-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione","","CCC1=NN=C(N1N2C(=O)CCC2=O)CC","MQWXTPULLBLOIF-UHFFFAOYSA-N","390151",NA,"PDBC08622","687219","Present"
-"1-(3,5-Dimethoxyphenyl)-3-[4-(4-methoxyphenoxy)-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]urea","","","","","","","","","","","","","","","","","","","","1-(3,5-dimethoxyphenyl)-3-[4-(4-methoxyphenoxy)-2-(4-mor...","","COC1=CC=C(C=C1)OC2=NC(=NC=C2NC(=O)NC3=CC(=CC(=C3)OC)OC)NC4=CC=C(C=C4)N5CCOCC5","DVLNOAZGUCLXIR-UHFFFAOYSA-N","155806475",NA,"PDBC08623","798108","Present"
-"1-(3,5-Dimethoxyphenyl)propan-2-one","","","","","","","","","","","","","","","","","","","","3,5-Dimethoxybenzylmethyl ketone","","CC(=O)CC1=CC(=CC(=C1)OC)OC","BKWQFIARUMVMFF-UHFFFAOYSA-N","377218",NA,"PDBC08624","658454","Present"
-"1-(3,5-Dimethylpyrazolyl)-2-{5-[2-(3,5-dimethylpyrazolyl)-1-methyl-2-oxoethylt hio](1,3,4-thiadiazol-2-ylthio)}propan-1-one","","","","","","","","","","","","","","","","","","","","2,5-Bis{[2-(3,5-dimethyl-1h-pyrazol-1-yl)-1-methyl-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole","","CC1=CC(=NN1C(=O)C(C)SC2=NN=C(S2)SC(C)C(=O)N3C(=CC(=N3)C)C)C","WJEJROLLAKMOQX-UHFFFAOYSA-N","397645",NA,"PDBC08625","706005","Present"
-"1-(3,5-Diphenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-1,2,3,4-butanetetrol","","","","","","","","","","","","","","","","","","","","1,3,4-Thiadiazole, 2,3-dihydro-3,5-diphenyl-2- (1,2,3,4-...","","C1=CC=C(C=C1)C2=NN(C(S2)C(C(C(CO)O)O)O)C3=CC=CC=C3","SQMQFRFGCSHRSM-UHFFFAOYSA-N","362640",NA,"PDBC08626","626826","Present"
-"1-(3,5-Diphenyl-4,5-dihydrotriazol-4-yl)piperidine","","","","","","","","","","","","","","","","","","","","1-(3,5-Diphenyl-4,5-dihydrotriazol-4-yl)piperidine","","C1CCN(CC1)C2C(N=NN2C3=CC=CC=C3)C4=CC=CC=C4","HAQXMLXJZYGHAM-UHFFFAOYSA-N","281034",NA,"PDBC08627","133514","Present"
-"1-(3,6-Dihydro-2H-pyridine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one","","","","","","","","","","","","","","","","","","","","1-(3,6-Dihydropyridin-1(2H)-ylcarbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one","","CC1(C2(CCC1(OC2=O)C(=O)N3CCC=CC3)C)C","WHWARFJWAYZPEO-UHFFFAOYSA-N","361744",NA,"PDBC08628","625010","Present"
-"1-(3-((Dicyclohexylamino)methyl)-2,4-dihydroxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","1-(3-((Dicyclohexylamino)methyl)-2,4-dihydroxyphenyl)ethanone","","CC(=O)C1=C(C(=C(C=C1)O)CN(C2CCCCC2)C3CCCCC3)O","NGJJEZVCTSGDRK-UHFFFAOYSA-N","268806",NA,"PDBC08629","109248","Present"
-"1-(3-(1,1-Dimethyl-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazol-4(5H)-yl)phenyl)ethanone","","","","","","","","","","","","","","","","","","","","1-(3-(1,1-Dimethyl-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazol-4(5H)-yl)phenyl)ethanone","","CC(=O)C1=CC(=CC=C1)N2CN3C4=CC=CC=C4N=C3C(OC2)(C)C","MIYQFXMVDFYIAM-UHFFFAOYSA-N","374203",NA,"PDBC08630","651693","Present"
-"1-(3-(1-Naphthylmethyl)-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(3-(1-Naphthylmethyl)-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)ethanone","","CC(=O)C1(S(=O)(=O)OCCOS1(=O)=O)CC2=CC=CC3=CC=CC=C32","UZDRMFHLFFXMIL-UHFFFAOYSA-N","384744",NA,"PDBC08631","674993","Present"
-"1-(3-(1-Piperidinyl)-1,2,4-thiadiazol-5-yl)piperidine","","","","","","","","","","","","","","","","","","","","1-(3-(1-Piperidinyl)-1,2,4-thiadiazol-5-yl)piperidine","","C1CCN(CC1)C2=NSC(=N2)N3CCCCC3","BQVXJBDLIKMNDX-UHFFFAOYSA-N","360533",NA,"PDBC08632","622668","Present"
-"1-(3-(1H-Imidazol-4-yl)-2-(((5-oxo-2-pyrrolidinyl)carbonyl)amino)propanoyl)-N-methyl-2-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(1H-Imidazol-5-yl)-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide","","CNC(=O)C1CCCN1C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3","QXIRQEYFDVIBTN-UHFFFAOYSA-N","381833",NA,"PDBC08633","668906","Present"
-"1-(3-(2,4-Dimethyl-5-(methylamino)-3,6-dioxo-1,4-cyclohexadien-1-yl)-3-methylbutanoyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-[3-[2,4-Dimethyl-5-(methylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-methylbutanoyl]-5-fluoropyrimidine-2,4-dione","","CC1=C(C(=O)C(=C(C1=O)C)NC)C(C)(C)CC(=O)N2C=C(C(=O)NC2=O)F","KXBBUWSRRKIONB-UHFFFAOYSA-N","356667",NA,"PDBC08634","613493","Present"
-"1-(3-(2,6-Dimethylphenyl)-2-imino-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(3-(2,6-Dimethylphenyl)-2-imino-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethanone","","CC1=C(C(=CC=C1)C)N2C(=C(SC2=N)C(=O)C)C","WMZSKSGNVIVKFM-UHFFFAOYSA-N","381561",NA,"PDBC08635","668350","Present"
-"1-(3-(3,3-Dimethyl-1-triazenyl)-4-methylbenzoyl)piperidine","","","","","","","","","","","","","","","","","","","","1-(3-(3,3-Dimethyl-1-triazenyl)-4-methylbenzoyl)piperidine","","CC1=C(C=C(C=C1)C(=O)N2CCCCC2)N=NN(C)C","ASPOYWQEXUDTBS-UHFFFAOYSA-N","374090",NA,"PDBC08636","651350","Present"
-"1-(3-(4,5,6,7,8,9-Hexahydro-1H-cycloocta[d][1,2,3]triazol-1-yl)-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-2-yl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole","","","","","","","","","","","","","","","","","","","","1-(3-(4,5,6,7,8,9-Hexahydro-1H-cycloocta[d][1,2,3]triazol-1-yl)-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-2-yl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole","","C1CCCC2=CC(=C(C=C2CC1)N3C4=C(CCCCCC4)N=N3)N5C6=C(CCCCCC6)N=N5","JYWUWMAWPUDYRN-UHFFFAOYSA-N","365729",NA,"PDBC08637","633670","Present"
-"1-(3-(Benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(3-(benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-5-(3,4,5-tri...","","CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","DSUSHVBFDNYXMR-UHFFFAOYSA-N","16462904",NA,"PDBC08638","754198","Present"
-"1-(3-(Benzyloxy)-4-methoxyphenyl)-3-butyn-1-ol","","","","","","","","","","","","","","","","","","","","1-(3-(Benzyloxy)-4-methoxyphenyl)-3-butyn-1-ol","","COC1=C(C=C(C=C1)C(CC#C)O)OCC2=CC=CC=C2","RPALFTMJFHWELC-UHFFFAOYSA-N","382380",NA,"PDBC08639","669938","Present"
-"1-(3-(Phenylsulfonyl)-3-cyclopenten-1-yl)ethanone oxime","","","","","","","","","","","","","","","","","","","","1-(3-(Phenylsulfonyl)-3-cyclopenten-1-yl)ethanone oxime","","CC(=NO)C1CC=C(C1)S(=O)(=O)C2=CC=CC=C2","NDGPHSMTXDIQNJ-UVTDQMKNSA-N","5935210",NA,"PDBC08640","623986","Present"
-"1-(3-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)C(F)(F)F","XTLVALLIRNCOGM-UHFFFAOYSA-N","362618",NA,"PDBC08641","626759","Present"
-"1-(3-(Trimethylsilyl)-3-pentenyl)-2,3,4,4a,9,9a-hexahydro-1H-beta-carboline","","","","","","","","","","","","","","","","","","","","1-(3-(Trimethylsilyl)-3-pentenyl)-2,3,4,4a,9,9a-hexahydro-1H-beta-carboline","","CC=C(CCC1C2C(CCN1)C3=CC=CC=C3N2)[Si](C)(C)C","NSHWEQKTJYYKNJ-RZNTYIFUSA-N","5386775",NA,"PDBC08642","617621","Present"
-"1-(3-(Trimethylsilyl)-3-pentenyl)-2,3,4,9-tetrahydro-1H-beta-carboline","","","","","","","","","","","","","","","","","","","","NSC617622///NSC619167","","CC=C(CCC1C2=C(CCN1)C3=CC=CC=C3N2)[Si](C)(C)C","MWWNDHSQBOESHH-RZNTYIFUSA-N","5386776",NA,"PDBC08643","617622///619167","Present"
-"1-(3-Acetyl-2,4-dimethylpyrrol-1-yl)sulfonyl-3-(1,3,4-thiadiazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","1-(3-Acetyl-2,4-dimethyl-pyrrol-1-yl)sulfonyl-3-(1,3,4-thiadiazol-2-yl)urea","","CC1=CN(C(=C1C(=O)C)C)S(=O)(=O)NC(=O)NC2=NN=CS2","FLWVVIXXFXKKCC-UHFFFAOYSA-N","398811",NA,"PDBC08644","708950","Present"
-"1-(3-Allyl-2-hydroxyphenyl)-5-(2-chlorophenyl)-3-hydroxy-2,4-pentadien-1-one","","","","","","","","","","","","","","","","","","","","1-(3-Allyl-2-hydroxyphenyl)-5-(2-chlorophenyl)-3-hydroxy-2,4-pentadien-1-one","","C=CCC1=C(C(=CC=C1)C(=CC(=O)C=CC2=CC=CC=C2Cl)O)O","BYYYMZJSEJZBNV-VFXSNCDZSA-N","5470312",NA,"PDBC08645","699425","Present"
-"1-(3-Aminopropyl)-3-phenyl-1-[3-[N-(phenylcarbamoyl)anilino]propyl]urea","","","","","","","","","","","","","","","","","","","","1-(3-Aminopropyl)-3-phenyl-1-[3-[N-(phenylcarbamoyl)anilino]propyl]urea","","C1=CC=C(C=C1)NC(=O)N(CCCN)CCCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3","AYSWWTDRVUGWKD-UHFFFAOYSA-N","393248",NA,"PDBC08646","694875","Present"
-"1-(3-Aminopropyl)-4-methylpiperazine","","","","","","","","","","","","","","","","","","","","N-Methyl-N'-(.gamma.-aminopropyl)piperazine","","CN1CCN(CC1)CCCN","RGUABPVONIGVAT-UHFFFAOYSA-N","78328",NA,"PDBC08647","60215","Present"
-"1-(3-Benzyl-2-ethylimidazol-4-yl)-1-phenylethanol","","","","","","","","","","","","","","","","","","","","1-(3-Benzyl-2-ethylimidazol-4-yl)-1-phenylethanol","","CCC1=NC=C(N1CC2=CC=CC=C2)C(C)(C3=CC=CC=C3)O","MGJWEHDRICUGFI-UHFFFAOYSA-N","304284",NA,"PDBC08648","195922","Present"
-"1-(3-Benzyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-3-methyl-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(3-Benzyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-3-methyl-1H-pyrrole-2,5-dione","","CC1=CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=CC=C3","MOUAABTXZCJYKF-UHFFFAOYSA-N","387578",NA,"PDBC08649","681535","Present"
-"1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)piperidine-2,6-dione","","C1CC(=O)N(C(=O)C1)N2C(=NNC2=O)CC3=CC=CC=C3","YAZCYEHLEYLIJG-UHFFFAOYSA-N","388165",NA,"PDBC08650","682729","Present"
-"1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione","","C1=CC=C(C=C1)CC2=NNC(=O)N2N3C(=O)C=CC3=O","IHFILCKJLVMRDT-UHFFFAOYSA-N","387269",NA,"PDBC08651","680866","Present"
-"1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione","","C1CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=CC=C3","PHVMNKOARVNDRG-UHFFFAOYSA-N","388874",NA,"PDBC08652","684067","Present"
-"1-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-4-(3-bromophenyl)-3-chloroazetidin-2-one","","","","","","","","","","","","","","","","","","","","1-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-4-(3-bromophenyl)-3-chloroazetidin-2-one","","C1=CC(=CC(=C1)Br)C2C(C(=O)N2C3=C(C(=CC(=C3Cl)Br)Cl)O)Cl","FWVYSXLAUNTRDQ-UHFFFAOYSA-N","403484",NA,"PDBC08653","718385","Present"
-"1-(3-Bromo-3,5-bis(4-methylphenyl)-2,4-diphenyl-1,4-cyclopentadien-1-yl)-4-methylbenzene","","","","","","","","","","","","","","","","","","","","1-(3-Bromo-3,5-bis(4-methylphenyl)-2,4-diphenyl-1,4-cyclopentadien-1-yl)-4-methylbenzene","","CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=C(C=C5)C)Br)C6=CC=CC=C6","SMOGXNPRDNGSQR-UHFFFAOYSA-N","370269",NA,"PDBC08654","643047","Present"
-"1-(3-Bromo-4-methoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline","","","","","","","","","","","","","","","","","","","","1-(3-Bromo-4-methoxybenzyl)-1,2,3,4-tetrahydro-6,7- dime...","","COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)Br","YSOCJYPSQCCGNA-UHFFFAOYSA-N","366189",NA,"PDBC08655","634516","Present"
-"1-(3-Bromo-4-methoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline","","","","","","","","","","","","","","","","","","","","1-(3-Bromo-4-methoxybenzyl)-3,4-dihydro-6,7- dimethoxyis...","","COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC)Br","FNHNRCUJHUNZIF-UHFFFAOYSA-N","366188",NA,"PDBC08656","634515","Present"
-"1-(3-Bromo-phenyl)-3-(pyridin-2-ylsulfanyl)-propenone","","","","","","","","","","","","","","","","","","","","1-(3-Bromo-phenyl)-3-(pyridin-2-ylsulfanyl)-propenone","","C1=CC=NC(=C1)SC=CC(=O)C2=CC(=CC=C2)Br","GJWHSAKIWYZZJY-CLFYSBASSA-N","24203485",NA,"PDBC08657","728220","Present"
-"1-(3-Bromophenyl)-2-undecyl-2H-1,3,5-triazine-4,6-diamine hydrochloride","","","","","","","","","","","","","","","","","","","","1-(3-Bromophenyl)-2-undecyl-2H-1,3,5-triazine-4,6-diamine hydrochloride","","CCCCCCCCCCCC1N=C(N=C(N1C2=CC(=CC=C2)Br)N)N.Cl","JGDZYCDGFBTNJM-UHFFFAOYSA-N","24181145",NA,"PDBC08658","5206","Present"
-"1-(3-Bromophenyl)-3-(4-bromophenyl)urea","","","","","","","","","","","","","","","","","","","","NSC33725","","C1=CC(=CC(=C1)Br)NC(=O)NC2=CC=C(C=C2)Br","ORURTYLIQVPMCD-UHFFFAOYSA-N","234238",NA,"PDBC08659","33725","Present"
-"1-(3-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)Br","WMEXLDJBKXUZPX-UHFFFAOYSA-N","361995",NA,"PDBC08660","625474","Present"
-"1-(3-Bromophenyl)-6-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(3-Bromophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline","","COC1=CC2=C(CN3C(SCC3=N2)C4=CC(=CC=C4)Br)C=C1","HCAQRHPXCUKBBE-UHFFFAOYSA-N","400621",NA,"PDBC08661","712743","Present"
-"1-(3-Bromophenyl)-7-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(3-Bromophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline","","COC1=CC2=C(C=C1)N=C3CSC(N3C2)C4=CC(=CC=C4)Br","BUBZFAHSDONJHM-UHFFFAOYSA-N","400620",NA,"PDBC08662","712742","Present"
-"1-(3-Bromopropyl)-4-methylpiperazine hydrobromide","","","","","","","","","","","","","","","","","","","","SC-13063","","CN1CCN(CC1)CCCBr.Br","KCYOYVPMBWCTJZ-UHFFFAOYSA-N","5351831",NA,"PDBC08663","54970","Present"
-"1-(3-Butylsulfonyl-4-methylanilino)-4-hydroxyanthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1-{[3-(Butylsulfonyl)-4-methylphenyl]amino}-4-hydroxyanthracene-9,10-dione","","CCCCS(=O)(=O)C1=C(C=CC(=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)C","SOTNWEUZNKFXGN-UHFFFAOYSA-N","278252",NA,"PDBC08664","127627","Present"
-"1-(3-Carboxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(3-Carboxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid","","CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C(=O)O","TYUGVOIHNADERA-UHFFFAOYSA-N","292938",NA,"PDBC08665","159192","Present"
-"1-(3-Chloro-1,4-dioxonaphthalen-2-yl)piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","1-(3-Chloro-1,4-dioxo-2-naphthyl)piperidine-2,6-dione","","C1CC(=O)N(C(=O)C1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","QTHHGAHSASFCMR-UHFFFAOYSA-N","389901",NA,"PDBC08666","686552","Present"
-"1-(3-Chloro-4-fluoroanilino)-3-(4-chloro-5-methyl-2-methylsulfanylphenyl)sulfonylurea","","","","","","","","","","","","","","","","","","","","1-(3-Chloro-4-fluoroanilino)-3-(4-chloro-5-methyl-2-methylsulfanylphenyl)sulfonylurea","","CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC(=C(C=C2)F)Cl","UDAORYZVAIOEBK-UHFFFAOYSA-N","387432",NA,"PDBC08667","681181","Present"
-"1-(3-Chloro-4-fluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3-Chloro-4-fluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=C(C=C4)F)Cl","XXZLFXUSJMQDQL-UHFFFAOYSA-N","366140",NA,"PDBC08668","634467","Present"
-"1-(3-Chloroanilino)-1-(ethyl)-4-pyridine","","","","","","","","","","","","","","","","","","","","3-Chloro-N-[1-(4-pyridyl)ethyl]aniline","","CC(C1=CC=NC=C1)NC2=CC(=CC=C2)Cl","LTXCKOQWPDAXTP-UHFFFAOYSA-N","383455",NA,"PDBC08669","671841","Present"
-"1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","1-(3-chlorobenzyl)-1h-indole-3-carbaldehyde","","C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)C=O","NANCGWIQWABHDC-UHFFFAOYSA-N","775540",NA,"PDBC08670","741908","Present"
-"1-(3-Chlorophenyl)-2-hexyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-2-hexyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride","","CCCCCCC1N=C(N=C(N1C2=CC(=CC=C2)Cl)N)N.Cl","JZGYUALYVXVDCI-UHFFFAOYSA-N","24180956",NA,"PDBC08671","3083","Present"
-"1-(3-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=CC(=CC=C4)Cl","MKWUFBKGEROMDT-UHFFFAOYSA-N","3004437",NA,"PDBC08672","653932","Present"
-"1-(3-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea","","CC1=NC(=CC=C1)NC(=S)NC2=CC(=CC=C2)Cl","WJHXRKKARJVNKJ-UHFFFAOYSA-N","3005368",NA,"PDBC08673","695056","Present"
-"1-(3-Chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=CC(=CC=C4)Cl","HIMBTAUQZDOROF-UHFFFAOYSA-N","3005268",NA,"PDBC08674","687865","Present"
-"1-(3-Chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-1-[(4-methyl-6-oxo-3h-pyrimidin-2-yl)sulfonyl]urea","","CC1=CC(=O)NC(=N1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)Cl","DTQNXDZXJCLOSE-UHFFFAOYSA-N","135426663",NA,"PDBC08675","706041","Present"
-"1-(3-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC(=CC=C3)Cl","ZXSRYRYIWSVIGW-CIAFOILYSA-N","9571652",NA,"PDBC08676","695333","Present"
-"1-(3-Chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC(=CC=C3)Cl","BCBCNPJJPUEHIE-UHFFFAOYSA-N","3005058",NA,"PDBC08677","668498","Present"
-"1-(3-Chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","CC(=NNC(=S)NC1=CC(=CC=C1)Cl)C2=CC=CC=N2","QJEQNMXYYQUOAY-ZDLGFXPLSA-N","5494177",NA,"PDBC08678","668335","Present"
-"1-(3-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(3-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(3-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea","","CC(=NNC(=S)NC1=CC(=CC=C1)Cl)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC(=CC=C3)Cl)C","VXDVMNCTKRZPIF-QKPCRAOOSA-N","5915690",NA,"PDBC08679","668484","Present"
-"1-(3-Chlorophenyl)-3-[10-[3-(3-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-10-oxo-decanoyl]-2-thioxo-hexahydropyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-3-[10-[3-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-10-oxodecanoyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","C1C(=O)N(C(=S)N(C1=O)C(=O)CCCCCCCCC(=O)N2C(=O)CC(=O)N(C2=S)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl","PWTPRJRATZZYNB-UHFFFAOYSA-N","395652",NA,"PDBC08680","700434","Present"
-"1-(3-Chlorophenyl)-3-ethyl-5-(2-phenylvinyl)-1,2,3,4-tetrahydropyrimido(5,4-c)quinolin-9-yl methyl ether","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-3-ethyl-9-methoxy-5-[(E)-styryl]-2,4-dihydropyrimido[5,4-c]quinoline","","CCN1CC2=C(C3=C(C=CC(=C3)OC)N=C2C=CC4=CC=CC=C4)N(C1)C5=CC(=CC=C5)Cl","JQJPIQDBZBRUTN-WYMLVPIESA-N","5917777",NA,"PDBC08681","340852","Present"
-"1-(3-Chlorophenyl)-3-pyridin-2-ylthiourea","","","","","","","","","","","","","","","","","","","","STK489894","","C1=CC=NC(=C1)NC(=S)NC2=CC(=CC=C2)Cl","KJWFTVWWEOPVBZ-UHFFFAOYSA-N","3005366",NA,"PDBC08682","695053","Present"
-"1-(3-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)Cl","FBYKUBSWTGLUOJ-UHFFFAOYSA-N","361999",NA,"PDBC08683","625478","Present"
-"1-(3-Chlorophenyl)-4-((((4-(3-chlorophenyl)-2,5-dioxo-1-piperazinyl)amino)methyl)amino)-2,5-piperazinedione","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-4-[[[4-(3-chlorophenyl)-2,5-dioxopiperazin-1-yl]amino]methylamino]piperazine-2,5-dione","","C1C(=O)N(CC(=O)N1C2=CC(=CC=C2)Cl)NCNN3CC(=O)N(CC3=O)C4=CC(=CC=C4)Cl","HKDUOECYDPBSSR-UHFFFAOYSA-N","376335",NA,"PDBC08684","657167","Present"
-"1-(3-Chlorophenyl)-4-(2,5-dichlorobenzoyl)piperazine","","","","","","","","","","","","","","","","","","","","STK094679","","C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(C=CC(=C3)Cl)Cl","QOGJNYXSKWRPEZ-UHFFFAOYSA-N","386373",NA,"PDBC08685","678257","Present"
-"1-(3-Chlorophenyl)-4-[2-[4-(3-chlorophenyl)-2,5-dioxo-piperazin-1-yl]ethyl]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(3-Chlorophenyl)-4-[2-[4-(3-chlorophenyl)-2,5-dioxo-piperazin-1-yl]ethyl]piperazine-2,5-dione","","C1C(=O)N(CC(=O)N1CCN2CC(=O)N(CC2=O)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl","ADUFRFKYFFJJAK-UHFFFAOYSA-N","376331",NA,"PDBC08686","657163","Present"
-"1-(3-Chlorophenyl)-4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]piperazine","","","","","","","","","","","","","","","","","","","","Piperazine, 4-(m-chlorophenyl)-4'-(p-chlorophenyl)-1,1'-...","","C1CN(CCN1CCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl","RJIDJXUSALVOTE-UHFFFAOYSA-N","233683",NA,"PDBC08687","32569","Present"
-"1-(3-Chloropropyl)cyclohexane-1-carbonitrile","","","","","","","","","","","","","","","","","","","","1-(3-Chloropropyl)cyclohexane-1-carbonitrile","","C1CCC(CC1)(CCCCl)C#N","KMDCKLDEDWBAKT-UHFFFAOYSA-N","357879",NA,"PDBC08688","617413","Present"
-"1-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylthiourea","","","","","","","","","","","","","","","","","","","","1-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylthiourea","","CNC(=S)NC1=C(C2=C(S1)CCCC2)C#N","RTMPCRMVUKULJN-UHFFFAOYSA-N","2815291",NA,"PDBC08689","679227","Present"
-"1-(3-Cyanophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3-Cyanophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC(=C4)C#N","IUXOVSWNHQLVOW-UHFFFAOYSA-N","366138",NA,"PDBC08690","634465","Present"
-"1-(3-Diethylamino-2-hydroxypropylamine)-4-(3-chloro-2-hydroxypropylamine)anthraquinone","","","","","","","","","","","","","","","","","","","","1-(3-Diethylamino-2-hydroxypropylamine)-4-(3-chloro-2- h...","","CCN(CC)CC(CNC1=C2C(=C(C=C1)NCC(CCl)O)C(=O)C3=CC=CC=C3C2=O)O.Cl","JXZILNDFAYXEFX-UHFFFAOYSA-N","368387",NA,"PDBC08691","639365","Present"
-"1-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5-b]carbazole","","","","","","","","","","","","","","","","","","","","1-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5...","","CCN(CC)CCCNC1=C2C=C3C4=CC=CC=C4N=C3C(=C2C=NN1)C","SAKNXNYGAJXCIR-UHFFFAOYSA-N","390192",NA,"PDBC08692","687353","Present"
-"1-(3-Diethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline","","","","","","","","","","","","","","","","","","","","1-(3-diethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline","","CC[As](CC)SCC(C)C(=O)N1CCCC1C(=O)O","LTJVTLRUQNETTC-QWRGUYRKSA-N","24203225",NA,"PDBC08693","727224","Present"
-"1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride","","","","","","","","","","","","","","","","","","","","edci","","CCN=C=NCCCN(C)C.Cl","FPQQSJJWHUJYPU-UHFFFAOYSA-N","2723939",NA,"PDBC08694","97064","Present"
-"1-(3-Dimethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline","","","","","","","","","","","","","","","","","","","","1-(3-dimethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline","","CC(CS[As](C)C)C(=O)N1CCCC1C(=O)O","ZJXAMHNLAOQLDS-IUCAKERBSA-N","24203224",NA,"PDBC08695","727223","Present"
-"1-(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione","","CCC1=NNC(=O)N1N2C(=O)CCC2=O","BLXFZKLEGGRADN-UHFFFAOYSA-N","388873",NA,"PDBC08696","684066","Present"
-"1-(3-Ethynylphenyl)-2,5-pyrrolidinedione","","","","","","","","","","","","","","","","","","","","2,5-Pyrrolidinedione, 1-(3-ethynylphenyl)-","","C#CC1=CC(=CC=C1)N2C(=O)CCC2=O","GDFBYFFSWFEBHI-UHFFFAOYSA-N","366009",NA,"PDBC08697","634182","Present"
-"1-(3-Ethynylphenyl)-3-(triphenylphosphoranylidene)-2,5-pyrrolidinedione","","","","","","","","","","","","","","","","","","","","1-(3-Ethynylphenyl)-3-(triphenylphosphoranylidene)-2,5-pyrrolidinedione","","C#CC1=CC(=CC=C1)N2C(=O)CC(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C2=O","WLQAJIYXFXMHPV-UHFFFAOYSA-N","366006",NA,"PDBC08698","634179","Present"
-"1-(3-Fluoro-phenyl)-4-phenyl-1H-pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","1-(3-Fluoro-phenyl)-4-phenyl-1H-pyrimidine-2-thione","","C1=CC=C(C=C1)C2=NC(=S)N(C=C2)C3=CC(=CC=C3)F","SMEJEKWUYLHTPA-UHFFFAOYSA-N","406781",NA,"PDBC08699","725066","Present"
-"1-(3-Fluorophenyl)-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-(3-Fluorophenyl)-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline","","C1C2=CC=CC=C2N=C3N1C(SC3)C4=CC(=CC=C4)F","SHMDLNZTNRUVLL-UHFFFAOYSA-N","395896",NA,"PDBC08700","700991","Present"
-"1-(3-Fluorophenyl)-3-(2-methyl-5-nitrophenyl)urea","","","","","","","","","","","","","","","","","","","","1-(3-Fluorophenyl)-3-(2-methyl-5-nitrophenyl)urea","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC(=CC=C2)F","ITDLGYNNVUOGDE-UHFFFAOYSA-N","310951",NA,"PDBC08701","216183","Present"
-"1-(3-Hydroxy-1-isopropoxy-5,8-dioxaspiro[3.4]oct-1-en-2-yl)acetone","","","","","","","","","","","","","","","","","","","","1-(3-Hydroxy-1-isopropoxy-5,8-dioxaspiro[3.4]oct-1-en-2-yl)acetone","","CC(C)OC1=C(C(C12OCCO2)O)CC(=O)C","CJJMYVHCQGSWTN-UHFFFAOYSA-N","394534",NA,"PDBC08702","698079","Present"
-"1-(3-Hydroxy-6,7-dimethyl-2-quinoxalinyl)-4-methyl-3-penten-2-one","","","","","","","","","","","","","","","","","","","","1-(3-Hydroxy-6,7-dimethyl-2-quinoxalinyl)-4-methyl-3-penten-2-one","","CC1=CC2=C(C=C1C)N=C(C(=O)N2)CC(=O)C=C(C)C","QMGWGTAILLXHQA-UHFFFAOYSA-N","360288",NA,"PDBC08703","622322","Present"
-"1-(3-Hydroxybutyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea","","","","","","","","","","","","","","","","","","","","1-(3-Hydroxybutyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea","","CC(CCNC(=O)NC1=C(C=C(NC1=O)C2=CC=CC=C2)C(F)(F)F)O","QRYWFMRLAMIRKB-UHFFFAOYSA-N","397741",NA,"PDBC08704","706164","Present"
-"1-(3-Imino-2-methyl-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(3-Imino-2-methyl-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl)ethanone","","CC(=O)N1C2C(=NN(C(=N)S2)C)C3=CC=CC=C31","WYUCINFPTMVKNU-UHFFFAOYSA-N","384014",NA,"PDBC08705","673118","Present"
-"1-(3-Iodopropyl)cyclopentane-1-carbonitrile","","","","","","","","","","","","","","","","","","","","1-(3-Iodopropyl)cyclopentane-1-carbonitrile","","C1CCC(C1)(CCCI)C#N","LGYHMAXPHMSGPI-UHFFFAOYSA-N","357884",NA,"PDBC08706","617418","Present"
-"1-(3-Methoxyphenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline","","","","","","","","","","","","","","","","","","","","1-(3-Methoxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline","","COC1=CC=CC(=C1)C2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5","SOZOSUYGIYYJSO-UHFFFAOYSA-N","399100",NA,"PDBC08707","709516","Present"
-"1-(3-Methoxyphenyl)propan-2-amine hydrochloride","","","","","","","","","","","","","","","","","","","","NIOSH/SH8120000","","CC(CC1=CC(=CC=C1)OC)N.Cl","DZZOPEUEYCVTQM-UHFFFAOYSA-N","3029807",NA,"PDBC08708","93733","Present"
-"1-(3-Methyl-2-thienyl)-4-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","1-(3-Methyl-2-thienyl)-4-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","CC1=C(SC=C1)C(=O)C(CC(=O)C2=CC=CS2)C3=CSC=C3","JZDDYZOENRNJRB-UHFFFAOYSA-N","376719",NA,"PDBC08709","657765","Present"
-"1-(3-Methyl-5-oxo-1H-1,2,4-triazol-4-yl)piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","1-(3-Methyl-5-oxo-1H-1,2,4-triazol-4-yl)piperidine-2,6-dione","","CC1=NNC(=O)N1N2C(=O)CCCC2=O","HTRJXAJHLXMVMP-UHFFFAOYSA-N","388164",NA,"PDBC08710","682728","Present"
-"1-(3-Methylphenyl)-2-thiourea","","","","","","","","","","","","","","","","","","","","m-Tolylthiourea","","CC1=CC(=CC=C1)NC(=S)N","JODPVHLKQIOIIW-UHFFFAOYSA-N","701727",NA,"PDBC08711","635574","Present"
-"1-(3-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","CC1=CC(=CC=C1)C2N3C(=NC4=CC=CC=C43)CS2","DXMCBXOONDVGLN-UHFFFAOYSA-N","361997",NA,"PDBC08712","625476","Present"
-"1-(3-Nitropyridin-2-yl)-1H-benzo[d]imidazole","","","","","","","","","","","","","","","","","","","","1-(3-Nitropyridin-2-yl)-1H-benzo[d]imidazole","","C1=CC=C2C(=C1)N=CN2C3=C(C=CC=N3)[N+](=O)[O-]","LGXFJUDOIQFSEW-UHFFFAOYSA-N","392272",NA,"PDBC08713","692412","Present"
-"1-(3-Oxo-4H-1,4-benzoxazin-7-yl)-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","1-(3-Oxo-4H-1,4-benzoxazin-7-yl)-3-phenylthiourea","","C1C(=O)NC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC=C3","FCTGBLDIGPCKLF-UHFFFAOYSA-N","3747433",NA,"PDBC08714","646096","Present"
-"1-(3-Oxobutyl)-2-oxocyclopentanecarboxylic acid isobutyl ester","","","","","","","","","","","","","","","","","","","","Isobutyl 2-oxo-1-(3-oxobutyl)cyclopentane-1-carboxylate","","CC(C)COC(=O)C1(CCCC1=O)CCC(=O)C","LKAHEFPEBZRBHE-UHFFFAOYSA-N","397722",NA,"PDBC08715","706130","Present"
-"1-(3-Pyridinyl)-2,2-difluoro-2-(benzoxazole-2-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-pyridin-3-ylethanol","","C1=CC=C2C(=C1)N=C(O2)C(C(C3=CN=CC=C3)O)(F)F","DPOYSAWKTPAZQU-UHFFFAOYSA-N","393814",NA,"PDBC08716","696593","Present"
-"1-(3-Sulfamoylphenyl)-3-(p-tolylsulfonyl)urea","","","","","","","","","","","","","","","","","","","","1-(3-Sulfamoylphenyl)-3-(p-tolylsulfonyl)urea","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)N","MRLDKUSYTMXCCF-UHFFFAOYSA-N","395824",NA,"PDBC08717","700716","Present"
-"1-(3-Thienyldiazenyl)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-(3-Thienyldiazenyl)-2-naphthol","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CSC=C3)O","OXSLWSAORQFBOQ-UHFFFAOYSA-N","365185",NA,"PDBC08718","632478","Present"
-"1-(4'-Methoxybiphenyl-4-yl)-2-(triphenylphosphoranylidene)ethanone","","","","","","","","","","","","","","","","","","","","1-(4'-Methoxybiphenyl-4-yl)-2-(triphenylphosphoranylidene)ethanone","","COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5","ARWKQPBEKVXBTR-UHFFFAOYSA-N","403593",NA,"PDBC08719","718646","Present"
-"1-(4'-Phthalimidopropyl-carbonyl)-5-fluorouracil","","","","","","","","","","","","","","","","","","","","1-(4'-Phthalimidopropyl-carbonyl)-5-fluorouracil","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)N3C=C(C(=O)NC3=O)F","GXBJBHATTFQWAK-UHFFFAOYSA-N","388985",NA,"PDBC08720","684405","Present"
-"1-(4,5-Dihydro-1,3-oxazol-2-yl)-4-methylpiperazine","","","","","","","","","","","","","","","","","","","","1-(4,5-Dihydro-1,3-oxazol-2-yl)-4-methylpiperazine","","CN1CCN(CC1)C2=NCCO2","QIBUVSZGZJKELY-UHFFFAOYSA-N","379839",NA,"PDBC08721","664971","Present"
-"1-(4,5-Dimethylbicyclo[2.2.2]oct-5-en-2-ylidene)ethyl formate","","","","","","","","","","","","","","","","","","","","1-(4,5-Dimethylbicyclo[2.2.2]oct-5-en-2-ylidene)ethyl formate","","CC1=CC2CCC1(CC2=C(C)OC=O)C","FWKPDPWUSHLWRV-ZRDIBKRKSA-N","3004044",NA,"PDBC08722","624381","Present"
-"1-(4,6-Dichloropyrimidin-2-yl)-3-(p-tolylsulfonyl)urea","","","","","","","","","","","","","","","","","","","","1-(4,6-Dichloropyrimidin-2-yl)-3-(p-tolylsulfonyl)urea","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)Cl","GWNWAVHATZHNBC-UHFFFAOYSA-N","367470",NA,"PDBC08723","637202","Present"
-"1-(4,6-Difluoro-1,3,5-triazin-2-yl)-2-methyl-2H-isoindole","","","","","","","","","","","","","","","","","","","","1-(4,6-Difluoro-1,3,5-triazin-2-yl)-2-methyl-2H-isoindole","","CN1C=C2C=CC=CC2=C1C3=NC(=NC(=N3)F)F","VNYNAZKKEBJBDB-UHFFFAOYSA-N","373223",NA,"PDBC08724","649230","Present"
-"1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-hexyl-2H-isoindole","","","","","","","","","","","","","","","","","","","","1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-hexyl-2H-isoindole","","CCCCCCN1C(=C2C=CC=CC2=C1SCC)C3=NC(=NC(=N3)F)F","MDAQTRCUUJOPIL-UHFFFAOYSA-N","373227",NA,"PDBC08725","649234","Present"
-"1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-propyl-2H-isoindole","","","","","","","","","","","","","","","","","","","","1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-propyl-2H-isoindole","","CCCN1C(=C2C=CC=CC2=C1SCC)C3=NC(=NC(=N3)F)F","YFSZCRHYQXWOSH-UHFFFAOYSA-N","373226",NA,"PDBC08726","649233","Present"
-"1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-propyl-2H-naphtho[2,3-f]isoindole","","","","","","","","","","","","","","","","","","","","1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-propyl-2H-naphtho[2,3-f]isoindole","","CCCN1C(=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1SCC)C5=NC(=NC(=N5)F)F","PLLFXIMDGPVELV-UHFFFAOYSA-N","373228",NA,"PDBC08727","649235","Present"
-"1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-[2-[3-(4,6-difluoro-1,3,5-triazin-2-yl)-2-propyl-isoindol-1-yl]sulfanylethylsulfanyl]-2-propyl-isoindole","","","","","","","","","","","","","","","","","","","","1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-[2-[3-(4,6-difluoro-1,3,5-triazin-2-yl)-2-propylisoindol-1-yl]sulfanylethylsulfanyl]-2-propylisoindole","","CCCN1C(=C2C=CC=CC2=C1SCCSC3=C4C=CC=CC4=C(N3CCC)C5=NC(=NC(=N5)F)F)C6=NC(=NC(=N6)F)F","LQDQXKUBRRZJGA-UHFFFAOYSA-N","373229",NA,"PDBC08728","649236","Present"
-"1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-methyl-4-oxoquinazolin-5-yl)sulfonylurea","","","","","","","","","","","","","","","","","","","","1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-methyl-4-oxo-quinazolin-5-yl)sulfonyl-urea","","CN1C=NC2=C(C1=O)C(=CC=C2)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC","PXSMSZTYNJURNZ-UHFFFAOYSA-N","388035",NA,"PDBC08729","682465","Present"
-"1-(4,6-Dimethyl-2-pyridyl)-3-(2-methoxyphenyl)thiourea","","","","","","","","","","","","","","","","","","","","N-(4,6-Dimethyl-2-pyridinyl)-N'-(2-methoxyphenyl)thiourea","","CC1=CC(=NC(=C1)NC(=S)NC2=CC=CC=C2OC)C","AMLZEWRBTKOLMY-UHFFFAOYSA-N","3005373",NA,"PDBC08730","695061","Present"
-"1-(4,6-Dimethyl-2-pyridyl)-3-(4-methoxyphenyl)thiourea","","","","","","","","","","","","","","","","","","","","N-(4,6-Dimethyl-2-pyridinyl)-N'-(4-methoxyphenyl)thiourea","","CC1=CC(=NC(=C1)NC(=S)NC2=CC=C(C=C2)OC)C","SWSIRLZXWRZLBD-UHFFFAOYSA-N","3005376",NA,"PDBC08731","695064","Present"
-"1-(4,7,7-Trimethyl-4-(methylthio)bicyclo[4.1.0]hept-3-yl)piperidine","","","","","","","","","","","","","","","","","","","","1-(4,7,7-Trimethyl-4-(methylthio)bicyclo[4.1.0]hept-3-yl)piperidine","","CC1(C2C1CC(C(C2)N3CCCCC3)(C)SC)C","ATUFQGIVQRQCFZ-UHFFFAOYSA-N","375770",NA,"PDBC08732","655920","Present"
-"1-(4,7-Dioxabicyclo[3.2.0]heptan-3-yl)-4-imino-pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-(4,7-Dioxabicyclo[3.2.0]heptan-3-yl)-4-imino-pyrimidin-2-one","","C1C2C(CO2)OC1N3C=CC(=NC3=O)N","MOOPEYFCYHHCPD-UHFFFAOYSA-N","355458",NA,"PDBC08733","609076","Present"
-"1-(4,8-Dioxothieno[2,3-f][1]benzothiol-2-yl)ethyl acetate","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-[1-(acetylox...","","CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3)OC(=O)C","NGBBUFDTQZQCTF-UHFFFAOYSA-N","388025",NA,"PDBC08734","682450","Present"
-"1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-(2-furyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-(2-furyl)-2-propen-1-one","","C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)C=CC4=CC=CO4","XXIDJBJIWXDWAQ-VAWYXSNFSA-N","6110148",NA,"PDBC08735","645071","Present"
-"1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-phenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-phenyl-2-propen-1-one","","C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3","KIMXFCUSPBTKHJ-XNTDXEJSSA-N","6105764",NA,"PDBC08736","645069","Present"
-"1-(4-(2,3-Dihydroxypropoxy)phenyl)ethanone","","","","","","","","","","","","","","","","","","","","LS-120108","","CC(=O)C1=CC=C(C=C1)OCC(CO)O","WLBDHRQPFMZSBF-UHFFFAOYSA-N","366916",NA,"PDBC08737","635978","Present"
-"1-(4-(3-(4-Chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(3,4-dichlorophenyl)urea","","","","","","","","","","","","","","","","","","","","1-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-p...","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)Cl","GQISCJOLGWOVHQ-UHFFFAOYSA-N","56935207",NA,"PDBC08738","753180","Present"
-"1-(4-(4-(Benzamido)-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea","","","","","","","","","","","","","","","","","","","","1-(4-(4-(benzamido)-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl...","","CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6)C(F)(F)F","HDLRMBIQCXLNSV-UHFFFAOYSA-N","53361439",NA,"PDBC08739","752894","Present"
-"1-(4-(4-(Oxo(phenyl)acetyl)benzyl)phenyl)-2-phenyl-1,2-ethanedione","","","","","","","","","","","","","","","","","","","","1-(4-(4-(Oxo(phenyl)acetyl)benzyl)phenyl)-2-phenyl-1,2-ethanedione","","C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)CC3=CC=C(C=C3)C(=O)C(=O)C4=CC=CC=C4","XNTNXDQCEHVQBS-UHFFFAOYSA-N","365549",NA,"PDBC08740","633255","Present"
-"1-(4-(4-Methylphenyl)-5-phenyl-1,3-oxazol-2-yl)isoquinoline","","","","","","","","","","","","","","","","","","","","Isoquinoline, 1-(5-phenyl-4-p-tolyl-2-oxazolyl)-","","CC1=CC=C(C=C1)C2=C(OC(=N2)C3=NC=CC4=CC=CC=C43)C5=CC=CC=C5","IOAOVPFXAIBMCW-UHFFFAOYSA-N","272358",NA,"PDBC08741","116702","Present"
-"1-(4-(Aminosulfonyl)anilino)cyclopentanecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-(4-(Aminosulfonyl)anilino)cyclopentanecarboxylic acid","","C1CCC(C1)(C(=O)O)NC2=CC=C(C=C2)S(=O)(=O)N","XBCUTCDSYTVMKW-UHFFFAOYSA-N","266689",NA,"PDBC08742","105432","Present"
-"1-(4-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(4-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)C(F)(F)F","MYYGTKQABBLHEM-UHFFFAOYSA-N","362619",NA,"PDBC08743","626760","Present"
-"1-(4-Acetamidophenyl)sulfonyl-5-oxo-N-phenylpyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","NSC776817","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC=CC=C3","MCKCCPGHMIUYNB-UHFFFAOYSA-N","155812870",NA,"PDBC08744","776817","Present"
-"1-(4-Acetyl-3,6-dihexyl-1,2,4,5-tetrazinan-1-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(4-Acetyl-3,6-dihexyl-1,2,4,5-tetrazinan-1-yl)ethanone","","CCCCCCC1NN(C(NN1C(=O)C)CCCCCC)C(=O)C","ZFYLBGQFWCVGOM-UHFFFAOYSA-N","256497",NA,"PDBC08745","83375","Present"
-"1-(4-Acetylphenylazo)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-(4-Acetylphenylazo)pyrrolidine","","CC(=O)C1=CC=C(C=C1)N=NN2CCCC2","KGEHANXMOJGVLM-UHFFFAOYSA-N","390398",NA,"PDBC08746","687752","Present"
-"1-(4-Acetylpiperazin-1-yl)dodecan-1-one","","","","","","","","","","","","","","","","","","","","1-(4-Acetylpiperazin-1-yl)dodecan-1-one","","CCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)C","ZJRKDHAMYBRVAY-UHFFFAOYSA-N","245905",NA,"PDBC08747","58319","Present"
-"1-(4-Acridin-9-yloxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","1-[4-(Acridin-9-yloxy)phenyl]ethanone","","CC(=O)C1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42","IFNCLUIRBZQNJU-UHFFFAOYSA-N","404367",NA,"PDBC08748","720571","Present"
-"1-(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl)-3-phenyl-thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl)-3-phenyl-thiourea","","C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)NC(=S)NC5=CC=CC=C5)N)C#N","DUZVQDXWVRHQPP-UHFFFAOYSA-N","3005397",NA,"PDBC08749","697043","Present"
-"1-(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl)-3-phenyl-thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl)-3-phenyl-thiourea","","CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)NC(=S)NC3=CC=CC=C3)C","WSRMAEVZVIZRSZ-UHFFFAOYSA-N","3005396",NA,"PDBC08750","697042","Present"
-"1-(4-Aminobenzyl)-2-benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile","","","","","","","","","","","","","","","","","","","","1-(4-Aminobenzyl)-2-benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile","","C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=C(C=C4)N)C#N","OIHVFKGPPYQCFR-UHFFFAOYSA-N","363401",NA,"PDBC08751","628305","Present"
-"1-(4-Aminophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline","","","","","","","","","","","","","","","","","","","","1-(4-Aminophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline","","CC1=CC2=CC3=C(C=C2C(=N1)C4=CC=C(C=C4)N)OCO3","ZHLRBDNNCVOICW-UHFFFAOYSA-N","404672",NA,"PDBC08752","721096","Present"
-"1-(4-Bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole","","","","","","","","","","","","","","","","","","","","1-(4-Bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole","","CC1=C(C=CC(=C1)N2C(=NN=N2)SCC#C)Br","MZYMILHVEGGJOR-UHFFFAOYSA-N","335168",NA,"PDBC08753","343550","Present"
-"1-(4-Bromo-phenyl)-3-(4-trifluoromethyl-pyrimidin-2-ylsulfan yl)-propenone","","","","","","","","","","","","","","","","","","","","1-(4-Bromo-phenyl)-3-(4-trifluoromethyl-pyrimidin-2-ylsu...","","C1=CC(=CC=C1C(=O)C=CSC2=NC=CC(=N2)C(F)(F)F)Br","ZZJWHXCDBSDRLP-VURMDHGXSA-N","24205335",NA,"PDBC08754","735170","Present"
-"1-(4-Bromoanilino)cyclopentane-1-carbonitrile","","","","","","","","","","","","","","","","","","","","1-[(4-Bromophenyl)amino]cyclopentanecarbonitrile","","C1CCC(C1)(C#N)NC2=CC=C(C=C2)Br","WGSHEWFMWCELQT-UHFFFAOYSA-N","238637",NA,"PDBC08755","43101","Present"
-"1-(4-Bromophenyl)-1-(5-(4-bromophenyl)-3-isopropyl-4,5-dihydro-1H-pyrazol-1-yl)-4-methyl-3-pentanone","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-1-(5-(4-bromophenyl)-3-isopropyl-4,5-dihydro-1H-pyrazol-1-yl)-4-methyl-3-pentanone","","CC(C)C1=NN(C(C1)C2=CC=C(C=C2)Br)C(CC(=O)C(C)C)C3=CC=C(C=C3)Br","FDBDZEWRZLJPBG-UHFFFAOYSA-N","374901",NA,"PDBC08756","653452","Present"
-"1-(4-Bromophenyl)-2-(3-iodo-4-hydroxy-5-methoxyphenyl)-3-chloroazetidine-4-one","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-2-(3-iodo-4-hydroxy-5-methoxyphenyl)-3-chloroazetidine-4-one","","COC1=C(C(=CC(=C1)C2C(C(=O)N2C3=CC=C(C=C3)Br)Cl)I)O","WKBZSTCAQSWCIN-UHFFFAOYSA-N","402893",NA,"PDBC08757","717210","Present"
-"1-(4-Bromophenyl)-2-methyl-1H-naphtho(2,3-d)imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1H-Naphth[2,3-d]imidazole-4,9-dione, 1-(4-bromophenyl)-2...","","CC1=NC2=C(N1C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4C2=O","APVKJXLEZCSCCT-UHFFFAOYSA-N","229013",NA,"PDBC08758","22348","Present"
-"1-(4-Bromophenyl)-3-(1H-indazol-3-yl)urea","","","","","","","","","","","","","","","","","","","","1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea","","C1=CC=C2C(=C1)C(=NN2)NC(=O)NC3=CC=C(C=C3)Br","XSKJXAWBFOPOAW-UHFFFAOYSA-N","25197647",NA,"PDBC08759","742794","Present"
-"1-(4-Bromophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=CC=C(C=C4)Br","ZUMGYHLYWWAMAU-UHFFFAOYSA-N","3005272",NA,"PDBC08760","687869","Present"
-"1-(4-Bromophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea","","CC1=CC(=O)NC(=N1)S(=O)(=O)NC(=S)NC2=CC=C(C=C2)Br","IAQSHAPAEAZBRI-UHFFFAOYSA-N","135426664",NA,"PDBC08761","706042","Present"
-"1-(4-Bromophenyl)-3-[(E)-(4-nitrophenyl)methylideneamino]urea","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-3-[(E)-(4-nitrophenyl)methylideneamino]urea","","C1=CC(=CC=C1C=NNC(=O)NC2=CC=C(C=C2)Br)[N+](=O)[O-]","MREIMMKDUCOWLY-CXUHLZMHSA-N","9572388",NA,"PDBC08762","715155","Present"
-"1-(4-Bromophenyl)-3-[2-[[3-(4-bromophenyl)-3-oxo-1-phenylpropylidene]amino]propylimino]-3-phenylpropan-1-one","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-3-[2-[[3-(4-bromophenyl)-3-oxo-1-phenylpropylidene]amino]propylimino]-3-phenylpropan-1-one","","CC(CN=C(CC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2)N=C(CC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4","CLSNOVHSYJOEEI-UHFFFAOYSA-N","329419",NA,"PDBC08763","311978","Present"
-"1-(4-Bromophenyl)-3-carbamoylurea","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-3-carbamoylurea","","C1=CC(=CC=C1NC(=O)NC(=O)N)Br","OIAVPSZXWZTVCJ-UHFFFAOYSA-N","253519",NA,"PDBC08764","76518","Present"
-"1-(4-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)Br","VAZZLVFERHJLEV-UHFFFAOYSA-N","361996",NA,"PDBC08765","625475","Present"
-"1-(4-Bromophenyl)-4-methylpent-1-en-3-one","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-4-methylpent-1-en-3-one","","CC(C)C(=O)C=CC1=CC=C(C=C1)Br","NXRQXRLIGYBVGN-VMPITWQZSA-N","5909593",NA,"PDBC08766","651749","Present"
-"1-(4-Bromophenylsulfonyl)-2-(methylaminosulfonyl)hydrazine","","","","","","","","","","","","","","","","","","","","1-(4-bromophenylsulfonyl)-2-(methylaminosulfonyl)hydrazine","","CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Br","XQTSZCCOCVYLNE-UHFFFAOYSA-N","373421",NA,"PDBC08767","649752","Present"
-"1-(4-Bromophenylsulfonyl)-2-(methylsulfonyl)hydrazine","","","","","","","","","","","","","","","","","","","","1-(4-bromophenylsulfonyl)-2-(methylsulfonyl)hydrazine","","CS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Br","CKTMOODLJXHTJR-UHFFFAOYSA-N","373422",NA,"PDBC08768","649753","Present"
-"1-(4-Chloro-1-hydroxy-1-methoxy-3-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexanecarboxamide","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-1-hydroxy-1-methoxy-3-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexanecarboxamide","","COC1(C2=C(C(=CC=C2)Cl)C(=O)N1C3(CCCCC3)C(=O)N)O","WZLAMSLIFDNPEP-UHFFFAOYSA-N","362762",NA,"PDBC08769","627022","Present"
-"1-(4-Chloro-2-nitro-phenyl)-3-(2-methyl-4-oxo-quinazolin-3-yl)thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-2-nitro-phenyl)-3-(2-methyl-4-oxo-quinazolin-3-yl)thiourea","","CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]","IGORMDMUCUBQLE-UHFFFAOYSA-N","3001685",NA,"PDBC08770","653939","Present"
-"1-(4-Chloro-2-nitro-phenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-2-nitro-phenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]","KLKOXOPIHWLRCF-UHFFFAOYSA-N","3004439",NA,"PDBC08771","653934","Present"
-"1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine","","","","","","","","","","","","","","","","","","","","STL329126","","C1CCN(CC1)C2=C(C(=NS2)C(Cl)(Cl)Cl)Cl","IXONEFLPCMNSRT-UHFFFAOYSA-N","379920",NA,"PDBC08772","665112","Present"
-"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-chlorophenyl)urea","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-chlorophenyl)urea","","CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)Cl","STQQHZQEPYBXLF-UHFFFAOYSA-N","387436",NA,"PDBC08773","681185","Present"
-"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-fluoroanilino)urea","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-fluoroanilino)urea","","CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC=C(C=C2)F","YVVCBZAPCGJEAE-UHFFFAOYSA-N","387433",NA,"PDBC08774","681182","Present"
-"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-methylanilino)urea","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-methylanilino)urea","","CC1=CC=C(C=C1)NNC(=O)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)SC","FIJSMUZTCZXTBY-UHFFFAOYSA-N","387431",NA,"PDBC08775","681180","Present"
-"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(pyridin-2-ylamino)urea","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(pyridin-2-ylamino)urea","","CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC=CC=N2","IAJWVBHMZPFTIF-UHFFFAOYSA-N","387428",NA,"PDBC08776","681177","Present"
-"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(quinoxalin-2-ylamino)urea","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(quinoxalin-2-ylamino)urea","","CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=NC3=CC=CC=C3N=C2","WKNBQMJYENHDOP-UHFFFAOYSA-N","387430",NA,"PDBC08777","681179","Present"
-"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-[[6-(trifluoromethyl)pyridin-2-yl]amino]urea","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-[[6-(trifluoromethyl)pyridin-2-yl]amino]urea","","CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC=CC(=N2)C(F)(F)F","NYLGYYKWZALEPI-UHFFFAOYSA-N","387429",NA,"PDBC08778","681178","Present"
-"1-(4-Chloro-7-methoxyquinolin-2-yl)-3-(2,6-dimethylphenyl)urea","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-7-methoxy-2-quinolyl)-3-(2,6-xylyl)urea","","CC1=C(C(=CC=C1)C)NC(=O)NC2=NC3=C(C=CC(=C3)OC)C(=C2)Cl","BPKXTUAMQCILGN-UHFFFAOYSA-N","330430",NA,"PDBC08779","319023","Present"
-"1-(4-Chloro-7-methoxyquinolin-2-yl)-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-7-methoxy-2-quinolyl)-3-phenyl-2-thiourea","","COC1=CC2=C(C=C1)C(=CC(=N2)NC(=S)NC3=CC=CC=C3)Cl","HZVNREMABNFFPU-UHFFFAOYSA-N","3246633",NA,"PDBC08780","319995","Present"
-"1-(4-Chloro-phenyl)-3-thiazol-2-yl-urea","","","","","","","","","","","","","","","","","","","","ARONIS016812","","C1=CC(=CC=C1NC(=O)NC2=NC=CS2)Cl","KPRKVTCHPGWYQW-UHFFFAOYSA-N","324932",NA,"PDBC08781","291925","Present"
-"1-(4-Chloro-phenyl)-4-(3,4,5-trimethoxy-phenyl)-1,3-dihydro-imidazol-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","COC1=CC(=CC(=C1OC)OC)C2=CN(C(=O)N2)C3=CC=C(C=C3)Cl","SKNXIDOLEXJJAT-UHFFFAOYSA-N","44446873",NA,"PDBC08782","740129","Present"
-"1-(4-Chloroanilino)-3-(4-chloro-5-methyl-2-methylsulfanylphenyl)sulfonylurea","","","","","","","","","","","","","","","","","","","","1-(4-Chloroanilino)-3-(4-chloro-5-methyl-2-methylsulfanylphenyl)sulfonylurea","","CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC=C(C=C2)Cl","RAWBSQZNHZUTEQ-UHFFFAOYSA-N","387434",NA,"PDBC08783","681183","Present"
-"1-(4-Chloroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-(4-Chloroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2)NC5=CC=C(C=C5)Cl)C#N","MXXQURDFCZJTSX-UHFFFAOYSA-N","395412",NA,"PDBC08784","699948","Present"
-"1-(4-Chloroanilino)cyclopentanecarboxylic acid","","","","","","","","","","","","","","","","","","","","TC-066301","","C1CCC(C1)(C(=O)O)NC2=CC=C(C=C2)Cl","BJHGQMFLHAMKOJ-UHFFFAOYSA-N","242360",NA,"PDBC08785","50922","Present"
-"1-(4-Chlorobenzoyl)-2-benzoyl-4,4-diethylpyrazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-(4-Chlorobenzoyl)-2-benzoyl-4,4-diethylpyrazolidine-3,5-dione","","CCC1(C(=O)N(N(C1=O)C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3)CC","IPDIVZJGYSFDIA-UHFFFAOYSA-N","388185",NA,"PDBC08786","682750","Present"
-"1-(4-Chlorobenzoyl)-3-methyl-4-(4-methylphenyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin6-amine, 1-(4-chlorobenzoy...","","CC1=CC=C(C=C1)C2C3=C(N=C(S2)N)N(N=C3C)C(=O)C4=CC=C(C=C4)Cl","ONGNGEMXYHVQDH-UHFFFAOYSA-N","376856",NA,"PDBC08787","657975","Present"
-"1-(4-Chlorobenzoyl)-3-methyl-4-phenyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazine-6-amine, 1-(4- chloroben...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","JQSQKJKBVGSOGK-UHFFFAOYSA-N","376846",NA,"PDBC08788","657965","Present"
-"1-(4-Chlorobenzoyl)-4,4-diethylpyrazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-(4-Chlorobenzoyl)-4,4-diethylpyrazolidine-3,5-dione","","CCC1(C(=O)NN(C1=O)C(=O)C2=CC=C(C=C2)Cl)CC","VBKLSJHEHRHDQI-UHFFFAOYSA-N","388181",NA,"PDBC08789","682746","Present"
-"1-(4-Chlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile","","","","","","","","","","","","","","","","","","","","1-(4-Chlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile","","CC1=CC2=C(C(=C1C)C#N)N(N=C2C)CC3=CC=C(C=C3)Cl","IEZUHUKRTCDCQQ-UHFFFAOYSA-N","367594",NA,"PDBC08790","637426","Present"
-"1-(4-Chlorobenzyl)-4-(1-naphthyl)semicarbazide","","","","","","","","","","","","","","","","","","","","1-(4-Chlorobenzyl)-4-(1-naphthyl)semicarbazide","","C1=CC=C2C(=C1)C=CC=C2NC(=O)NNCC3=CC=C(C=C3)Cl","WYESAAHFLHETQQ-UHFFFAOYSA-N","394859",NA,"PDBC08791","698947","Present"
-"1-(4-Chlorobenzylidene)-4-(1-naphthylmethyl)semicarbazide","","","","","","","","","","","","","","","","","","","","1-(4-Chlorobenzylidene)-4-(1-naphthylmethyl)semicarbazide","","C1=CC=C2C(=C1)C=CC=C2CNC(=O)NN=CC3=CC=C(C=C3)Cl","DPAOTXQZZDJOID-UUYOSTAYSA-N","6108562",NA,"PDBC08792","698946","Present"
-"1-(4-Chlorobut-2-ynyl)-4-(4-chlorobut-2-ynylsulfanyl)-3H-imidazo[4,5-c]pyridin-1-ium-6-amine","","","","","","","","","","","","","","","","","","","","1-(4-Chlorobut-2-ynyl)-4-(4-chlorobut-2-ynylsulfanyl)-3H-imidazo[4,5-c]pyridin-1-ium-6-amine","","C1=C2C(=C(N=C1N)SCC#CCCl)NC=[N+]2CC#CCCl","NNALYEBBNGDKAF-UHFFFAOYSA-O","60147613",NA,"PDBC08793","751820","Present"
-"1-(4-Chloronaphthalen-1-yl)-2-(dimethylamino)ethanol;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","1-(4-Chloronaphthalen-1-yl)-2-(dimethylamino)ethanol 4-methylbenzenesulfonate(1:1)","","CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC(C1=CC=C(C2=CC=CC=C21)Cl)O","VAGOADMLDBRNCD-UHFFFAOYSA-N","230791",NA,"PDBC08794","26074","Present"
-"1-(4-Chloronaphthalen-1-yl)-2-(dipentylamino)ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(4-Chloronaphthalen-1-yl)-2-(dipentylamino)ethanol;hydrochloride","","CCCCCN(CCCCC)CC(C1=CC=C(C2=CC=CC=C21)Cl)O.Cl","UYEYPFAQJAPXQJ-UHFFFAOYSA-N","24181664",NA,"PDBC08795","10660","Present"
-"1-(4-Chlorophenyl)-2-(3-hydroxy-6,7-dimethyl-2-quinoxalinyl)-1-propanone","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-(3-hydroxy-6,7-dimethyl-2-quinoxalinyl)-1-propanone","","CC1=CC2=C(C=C1C)N=C(C(=O)N2)C(C)C(=O)C3=CC=C(C=C3)Cl","QPJCMNLBPGOLEL-UHFFFAOYSA-N","341290",NA,"PDBC08796","373054","Present"
-"1-(4-Chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-(propan-2-ylideneamino)guanidine","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-(propan-2-ylideneamino)guanidine","","CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NN=C(C)C","PMWGKBMYIAHMMS-UHFFFAOYSA-N","9572184",NA,"PDBC08797","706452","Present"
-"1-(4-Chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine","","C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)N=C(N)NC3=CC=C(C=C3)Cl","DETFFZDWYCGCDT-UHFFFAOYSA-N","9572215",NA,"PDBC08798","707406","Present"
-"1-(4-Chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone","","COC1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)Cl","OMNKHZNBQPNIHA-UHFFFAOYSA-N","45029096",NA,"PDBC08799","745454","Present"
-"1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonyl-3-(propan-2-ylideneamino)guanidine","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonyl-3-(propan-2-ylideneamino)guanidine","","CC(=NNC(=NS(=O)(=O)C1=CC(=C(C(=C1)Cl)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)NC3=CC=C(C=C3)Cl)C","XXQAJEUEUYKFHV-UHFFFAOYSA-N","9572187",NA,"PDBC08800","706455","Present"
-"1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(4-nitrophenoxy)phenyl]sulfonyl-3-hydroxyguanidine","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(4-nitrophenoxy)phenyl]sulfonyl-3-hydroxyguanidine","","C1=CC(=CC=C1NC(=NS(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=CC=C(C=C3)[N+](=O)[O-])Cl)NO)Cl","WUJIVTLYXHIWEG-UHFFFAOYSA-N","9572200",NA,"PDBC08801","707043","Present"
-"1-(4-Chlorophenyl)-2-[5-[3-(trifluoromethyl)pyridin-2-yl]thiophen-2-yl]sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-[5-[3-(trifluoromethyl)pyridin-2-yl]thiophen-2-yl]sulfonylguanidine","","C1=CC(=C(N=C1)C2=CC=C(S2)S(=O)(=O)N=C(N)NC3=CC=C(C=C3)Cl)C(F)(F)F","GWXTUZOGIBRIFK-UHFFFAOYSA-N","9572212",NA,"PDBC08802","707403","Present"
-"1-(4-Chlorophenyl)-2-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)O","BNPOWAXLEKJHOE-UHFFFAOYSA-N","363552",NA,"PDBC08803","628516","Present"
-"1-(4-Chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3,5-dicarbonitrile","","CSC1=C(C(=O)N(C(=C1C#N)O)C2=CC=C(C=C2)Cl)C#N","XPWGYUUNLODMCY-UHFFFAOYSA-N","392134",NA,"PDBC08804","692014","Present"
-"1-(4-Chlorophenyl)-3,3' =indoline]=2',4-dione","","","","","","","","","","","","","","","","","","","","1-(4-chlorophenyl)-3,3-diphenyl-1'-methylspiro[azetidin-...","","CN1C2=CC=CC=C2C3(C1=O)C(C(=O)N3C4=CC=C(C=C4)Cl)(C5=CC=CC=C5)C6=CC=CC=C6","QTFBYRIOLWVHPI-UHFFFAOYSA-N","16096361",NA,"PDBC08805","737780","Present"
-"1-(4-Chlorophenyl)-3-((4-(2-(3-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-2-oxoethoxy)phenoxy)acetyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[2-[4-[2-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","C1C(=O)N(C(=S)N(C1=O)C(=O)COC2=CC=C(C=C2)OCC(=O)N3C(=O)CC(=O)N(C3=S)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","CPQXNNCZHCTMIJ-UHFFFAOYSA-N","394034",NA,"PDBC08806","697152","Present"
-"1-(4-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea","","C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=C(C=C3)Cl)C#N","PZGNMVIJICYTHG-UHFFFAOYSA-N","3005174",NA,"PDBC08807","679229","Present"
-"1-(4-Chlorophenyl)-3-(4-((10-(4-(3-(4-chlorophenyl)-3-oxo-1-propenyl)phenoxy)decyl)oxy)phenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Chlorophenyl)-3-[4-[10-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenoxy]decoxy]phenyl]prop-2-en-1-one","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)OCCCCCCCCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)Cl","GWEOPBQNEBFATJ-OCHFTUDZSA-N","5466902",NA,"PDBC08808","645381","Present"
-"1-(4-Chlorophenyl)-3-(4-(2-((10-((2-(4-(3-(4-chlorophenyl)-3-oxo-1-propenyl)phenoxy)ethyl)thio)decyl)thio)ethoxy)phenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 3,3'- [(1,10-decanediyl)bis(thioxy)bis(e...","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)Cl","GMNFCQXGIVQZTD-OCHFTUDZSA-N","5466901",NA,"PDBC08809","645379","Present"
-"1-(4-Chlorophenyl)-3-(4-(3-(4-(3-(4-chlorophenyl)-3-oxo-1-propenyl)phenoxy)propoxy)phenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Chlorophenyl)-3-[4-[3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenoxy]propoxy]phenyl]prop-2-en-1-one","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)OCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)Cl","BBVOEXBBDRZURQ-KPJWAMHRSA-N","5467238",NA,"PDBC08810","648892","Present"
-"1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea","","","","","","","","","","","","","","","","","","","","Thiourea, N-(4-chlorophenyl)-N'-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=CC=C(C=C4)Cl","LXBVXPNYDRMULD-UHFFFAOYSA-N","3004438",NA,"PDBC08811","653933","Present"
-"1-(4-Chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazol-4-ol","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazol-4-ol","","C1=CC=C(C=C1)C2=NN=C(O2)C3=NN(C=C3O)C4=CC=C(C=C4)Cl","PFEPZIMNLUUCBV-UHFFFAOYSA-N","406094",NA,"PDBC08812","724037","Present"
-"1-(4-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea","","CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)Cl","KZGNLJVFKSDIRM-UHFFFAOYSA-N","3005381",NA,"PDBC08813","695325","Present"
-"1-(4-Chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=CC=C(C=C4)Cl","WPMSALVSBQFVIF-UHFFFAOYSA-N","3005269",NA,"PDBC08814","687866","Present"
-"1-(4-Chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea","","CC1=CC(=O)NC(=N1)S(=O)(=O)NC(=S)NC2=CC=C(C=C2)Cl","YGWXGECBLBWYSX-UHFFFAOYSA-N","135426662",NA,"PDBC08815","706040","Present"
-"1-(4-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)Cl","YGVMMJFZOUIBOL-CIAFOILYSA-N","9571647",NA,"PDBC08816","695065","Present"
-"1-(4-Chlorophenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","CC1=NC(=CC=C1)C=NNC(=S)NC2=CC=C(C=C2)Cl","KLBCCHSJGGXGIS-CXUHLZMHSA-N","9571483",NA,"PDBC08817","670964","Present"
-"1-(4-Chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=C(C=C3)Cl","IDSHYPMNWDCYON-UHFFFAOYSA-N","3005059",NA,"PDBC08818","668499","Present"
-"1-(4-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea","","CC(=NNC(=S)NC1=CC=C(C=C1)Cl)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=C(C=C3)Cl)C","GPWDYWVEELAISV-QKPCRAOOSA-N","6376018",NA,"PDBC08819","668483","Present"
-"1-(4-Chlorophenyl)-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea","","C1COCCN1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2O)N=NC(=S)NC4=CC=C(C=C4)Cl","HSTLQRZKYKNZMD-UHFFFAOYSA-N","135426765",NA,"PDBC08820","716770","Present"
-"1-(4-Chlorophenyl)-3-[10-[3-(4-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-10-oxo-decanoyl]-2-thioxo-hexahydropyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[10-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-10-oxodecanoyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","C1C(=O)N(C(=S)N(C1=O)C(=O)CCCCCCCCC(=O)N2C(=O)CC(=O)N(C2=S)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","STSAJZCIMHHDPW-UHFFFAOYSA-N","395653",NA,"PDBC08821","700435","Present"
-"1-(4-Chlorophenyl)-3-[2-[4-[2-[3-(4-chlorophenyl)-5-oxo-2-thioxo-imidazolidin-1-yl]-2-oxo-ethoxy]phenoxy]acetyl]-2-thioxo-imidazolidin-4-one","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[2-[4-[2-[3-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylideneimidazolidin-4-one","","C1C(=O)N(C(=S)N1C2=CC=C(C=C2)Cl)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CN(C4=S)C5=CC=C(C=C5)Cl","QXECAIJPRONRJL-UHFFFAOYSA-N","394031",NA,"PDBC08822","697149","Present"
-"1-(4-Chlorophenyl)-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(4-chlorophenyl)-3-(4-(3,4,5-trimethoxyphenyl)thiazol-...","","COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)NC3=CC=C(C=C3)Cl","AEVYSAGTYSCCGU-UHFFFAOYSA-N","155814970",NA,"PDBC08823","789272","Present"
-"1-(4-Chlorophenyl)-3-[6-[2-[(4-chlorophenyl)carbamothioylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[6-[2-[(4-chlorophenyl)carbamothioylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea","","C1CN(CC2=C1C(=C(S2)NC(=S)NC3=CC=C(C=C3)Cl)C#N)N4CCC5=C(C4)SC(=C5C#N)NC(=S)NC6=CC=C(C=C6)Cl","BJVWTTHAKOFKLZ-UHFFFAOYSA-N","5470733",NA,"PDBC08824","704848","Present"
-"1-(4-Chlorophenyl)-3-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiourea","","CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)Cl","FJTKGKVACRFTEB-UHFFFAOYSA-N","3000817",NA,"PDBC08825","691522","Present"
-"1-(4-Chlorophenyl)-3-cyanoguanidine","","","","","","","","","","","","","","","","","","","","wln: ncmyum&mr dg","","C1=CC(=CC=C1N=C(N)NC#N)Cl","JMEJOUCPQDFPFK-UHFFFAOYSA-N","15140",NA,"PDBC08826","74463","Present"
-"1-(4-Chlorophenyl)-3-hydroxy-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-hydroxy-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine","","C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","KYILXLVCXMKUDB-UHFFFAOYSA-N","9572194",NA,"PDBC08827","707037","Present"
-"1-(4-Chlorophenyl)-3-phenyl-1H-furo[3,4-b]pyrrole-4,6-dione","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-phenyl-1H-furo[3,4-b]pyrrole-4,6-dione","","C1=CC=C(C=C1)C2=CN(C3=C2C(=O)OC3=O)C4=CC=C(C=C4)Cl","CFEZBAYUXAWVGA-UHFFFAOYSA-N","363267",NA,"PDBC08828","628018","Present"
-"1-(4-Chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one","","COC1=CC(=CC(=C1OC)OC)C2=CN(C(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl","BZOFSVJDHWVMFT-UHFFFAOYSA-N","45028070",NA,"PDBC08829","740988","Present"
-"1-(4-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)Cl","IKOAISDPONXJQG-UHFFFAOYSA-N","361180",NA,"PDBC08830","624052","Present"
-"1-(4-Chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N(N=C3C(=O)O)C4=CC=C(C=C4)Cl","LUFJOPHUENGNNB-UHFFFAOYSA-N","338385",NA,"PDBC08831","360494","Present"
-"1-(4-Chlorophenyl)-4-((((4-(4-chlorophenyl)-2,5-dioxo-1-piperazinyl)amino)methyl)amino)-2,5-piperazinedione","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-4-[[[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]amino]methylamino]piperazine-2,5-dione","","C1C(=O)N(CC(=O)N1C2=CC=C(C=C2)Cl)NCNN3CC(=O)N(CC3=O)C4=CC=C(C=C4)Cl","GUYMEWFEHBCVTD-UHFFFAOYSA-N","376337",NA,"PDBC08832","657169","Present"
-"1-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-5-phenyl-1H-1,2,3-triazole","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-5-phenyl-1H-1,2,3-triazole","","C1CN=C(N1)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","XKOGPZMSQJGTRV-UHFFFAOYSA-N","371079",NA,"PDBC08833","645025","Present"
-"1-(4-Chlorophenyl)-4-[2-[4-(4-chlorophenyl)-2,5-dioxo-piperazin-1-yl]ethyl]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-4-[2-[4-(4-chlorophenyl)-2,5-dioxo-piperazin-1-yl]ethyl]piperazine-2,5-dione","","C1C(=O)N(CC(=O)N1CCN2CC(=O)N(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","JLOPLEQGALMMFD-UHFFFAOYSA-N","376333",NA,"PDBC08834","657165","Present"
-"1-(4-Chlorophenyl)-4-methyl-1-penten-3-one","","","","","","","","","","","","","","","","","","","","NSC651750","","CC(C)C(=O)C=CC1=CC=C(C=C1)Cl","JDMLNXSURTZNJA-VMPITWQZSA-N","5913388",NA,"PDBC08835","651750","Present"
-"1-(4-Chlorophenyl)-4-methylsulfanyl-2,6-dioxo-3H-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-4-methylsulfanyl-2,6-dioxo-3H-pyridine-3,5-dicarbonitrile","","CSC1=C(C(=O)N(C(=O)C1C#N)C2=CC=C(C=C2)Cl)C#N","YRSYKWNCDNMKIT-UHFFFAOYSA-N","390322",NA,"PDBC08836","687614","Present"
-"1-(4-Chlorophenyl)-4-methylsulfanyl-2-oxo-6-sulfanyl-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-4-methylsulfanyl-2-oxo-6-sulfanyl-pyridine-3,5-dicarbonitrile","","CSC1=C(C(=O)N(C(=C1C#N)S)C2=CC=C(C=C2)Cl)C#N","VHQKPPNAUMFCMK-UHFFFAOYSA-N","392160",NA,"PDBC08837","692040","Present"
-"1-(4-Chlorophenyl)-4-morpholino-6-oxo-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-4-morpholino-6-oxo-pyrimidine-5-carbonitrile","","C1COCCN1C2=C(C(=O)N(C=N2)C3=CC=C(C=C3)Cl)C#N","CVLFTRHNRYUQGM-UHFFFAOYSA-N","395691",NA,"PDBC08838","700475","Present"
-"1-(4-Chlorophenyl)-5-methyl-4,6-dihydro-3h-pyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazole, 1-(p-chlorophenyl)-3,4-dihydr...","","CC1=C2C(=CC3=C1CCN=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5N2","DRLPKPSUSZYUDY-UHFFFAOYSA-N","256427",NA,"PDBC08839","83292","Present"
-"1-(4-Chlorophenyl)-N,2-dimethyl-2-propanamine hydrochloride","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-N,2-dimethyl-2-propanamine hydrochloride","","CC(C)(CC1=CC=C(C=C1)Cl)NC.Cl","DLDUPRPTFFIGDF-UHFFFAOYSA-N","24201724",NA,"PDBC08840","525445","Present"
-"1-(4-Chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","1H-Benz[g]indazole-3-carboxamide,1-(4-chlorophenyl)- N-[...","","CCN(CC)CCNC(=O)C1=NN(C2=C1CCC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)Cl.Cl","DRMVKBWLBKXFCL-UHFFFAOYSA-N","5351294",NA,"PDBC08841","288010","Present"
-"1-(4-Chlorophenyl)sulfonyl-3-(2,3-dimethylphenyl)imidazolidin-2-imine","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)sulfonyl-3-(2,3-dimethylphenyl)imidazolidin-2-imine","","CC1=C(C(=CC=C1)N2CCN(C2=N)S(=O)(=O)C3=CC=C(C=C3)Cl)C","FYMWXFJUAMPWAI-UHFFFAOYSA-N","395133",NA,"PDBC08842","699424","Present"
-"1-(4-Chlorophenyl)sulfonyl-3-(2-methoxyphenyl)imidazolidin-2-imine","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)sulfonyl-3-(2-methoxyphenyl)imidazolidin-2-imine","","COC1=CC=CC=C1N2CCN(C2=N)S(=O)(=O)C3=CC=C(C=C3)Cl","NTBNDNDZCRRSMR-UHFFFAOYSA-N","395132",NA,"PDBC08843","699423","Present"
-"1-(4-Chlorophenyl)sulfonyl-3-[2-[[(E)-N-(4-chlorophenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]amino]ethyl]-2-methyl-isothiourea","","","","","","","","","","","","","","","","","","","","Methyl N-(4-chlorophenyl)sulfonyl-N'-[2-[[[(4-chlorophenyl)sulfonylamino]-methylsulfanylmethylidene]amino]ethyl]carbamimidothioate","","CSC(=NCCN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)SC)NS(=O)(=O)C2=CC=C(C=C2)Cl","MZRSQYFYNXASHN-UHFFFAOYSA-N","382841",NA,"PDBC08844","670671","Present"
-"1-(4-Chlorophenylimino)-2-(4-chlorophenyl)isoindoline","","","","","","","","","","","","","","","","","","","","STK688478","","C1C2=CC=CC=C2C(=NC3=CC=C(C=C3)Cl)N1C4=CC=C(C=C4)Cl","UDXLICZFPRSKOW-UHFFFAOYSA-N","376360",NA,"PDBC08845","657192","Present"
-"1-(4-Chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(4-Chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid","","C1CC(N(C1)C(=O)C2=NC=CC(=C2)Cl)C(=O)O","QHXNBROGMFPGNU-UHFFFAOYSA-N","386438",NA,"PDBC08846","678406","Present"
-"1-(4-Chloropyrrolo[2,3-d]pyrimidin-7-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethanone","","CC(=O)N1C=CC2=C1N=CN=C2Cl","LPRFQMOPHAFADL-UHFFFAOYSA-N","373190",NA,"PDBC08847","649156","Present"
-"1-(4-Cyanophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(4-Cyanophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)C#N","QTXIUOCGAKXPES-UHFFFAOYSA-N","362683",NA,"PDBC08848","626914","Present"
-"1-(4-Cyanopyridine-2-carbonyl)pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(4-Cyanopyridine-2-carbonyl)pyrrolidine-2-carboxylic acid","","C1CC(N(C1)C(=O)C2=NC=CC(=C2)C#N)C(=O)O","JAHFPJMOBOGBKU-UHFFFAOYSA-N","386437",NA,"PDBC08849","678405","Present"
-"1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine","","","","","","","","","","","","","","","","","","","","8XC2K63IJD","","CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)N(CC)CC","CGAMLDQVUWMUSB-UHFFFAOYSA-N","100732",NA,"PDBC08850","355639","Present"
-"1-(4-Ethoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea","","","","","","","","","","","","","","","","","","","","1-(4-Ethoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea","","CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(C)C)C","ZYDWOONFLRQTIK-UHFFFAOYSA-N","240168",NA,"PDBC08851","46213","Present"
-"1-(4-Fluoroanilino)-3-(4-methylphenyl)sulfonylurea","","","","","","","","","","","","","","","","","","","","1-(4-Fluoroanilino)-3-(4-methylphenyl)sulfonylurea","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NNC2=CC=C(C=C2)F","LRIYKBIMNVLNTR-UHFFFAOYSA-N","387435",NA,"PDBC08852","681184","Present"
-"1-(4-Fluoroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-[(4-Fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2)NC5=CC=C(C=C5)F)C#N","RCRISHAZXJYLJC-UHFFFAOYSA-N","395408",NA,"PDBC08853","699944","Present"
-"1-(4-Fluorophenyl)-2-(2-nitroimidazol-1-yl)ethanol","","","","","","","","","","","","","","","","","","","","1-(4-Fluorophenyl)-2-(2-nitroimidazol-1-yl)ethanol","","C1=CC(=CC=C1C(CN2C=CN=C2[N+](=O)[O-])O)F","FTSKHRPISYESAX-UHFFFAOYSA-N","370714",NA,"PDBC08854","644216","Present"
-"1-(4-Fluorophenyl)-2-(2-nitroimidazol-1-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(4-Fluorophenyl)-2-(2-nitroimidazol-1-yl)ethanone","","C1=CC(=CC=C1C(=O)CN2C=CN=C2[N+](=O)[O-])F","UCZWYNWDMGRFFD-UHFFFAOYSA-N","370713",NA,"PDBC08855","644214","Present"
-"1-(4-Fluorophenyl)-3-[5-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-4-methyl-1,3-thiazol-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Fluorophenyl)-3-[5-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-4-methyl-1,3-thiazol-2-yl]thiourea","","CC1=C(SC(=N1)NC(=S)NC2=CC=C(C=C2)F)C(=O)NNC(=S)NC3=CC=C(C=C3)F","VFPJVNNQXFEJQZ-UHFFFAOYSA-N","24936201",NA,"PDBC08856","745923","Present"
-"1-(4-Fluorophenyl)-4-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","1-(4-Fluorophenyl)-4-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","C1=CSC(=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=C(C=C3)F","SIFSFCWTJLQYKJ-UHFFFAOYSA-N","376699",NA,"PDBC08857","657743","Present"
-"1-(4-Fluorophenyl)-4-(7-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-butanone","","","","","","","","","","","","","","","","","","","","1-(4-Fluorophenyl)-4-(7-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-butanone","","COC1=CC2=C(C=C1)C3=C(N2)CCN(C3)CCCC(=O)C4=CC=C(C=C4)F","GZRNLIQYLURBGZ-UHFFFAOYSA-N","380020",NA,"PDBC08858","665314","Present"
-"1-(4-Fluorophenyl)-6-methoxy-1H,4-a]benzimidaz ole","","","","","","","","","","","","","","","","","","","","1-(4-Fluorophenyl)-6-methoxy-1H,3H-thiazolo[3,4-a]benzim...","","COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=CC=C(C=C4)F","WKJXKSHWSQESPW-UHFFFAOYSA-N","405742",NA,"PDBC08859","723303","Present"
-"1-(4-Fluorophenyl)propan-2-amine hydrochloride","","","","","","","","","","","","","","","","","","","","J-503317","","CC(CC1=CC=C(C=C1)F)N.Cl","GKWYMWZWSCKSMT-UHFFFAOYSA-N","120675",NA,"PDBC08860","93735","Present"
-"1-(4-Furo[2,3-b]quinolin-4-yloxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","1-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]ethanone","","CC(=O)C1=CC=C(C=C1)OC2=C3C=COC3=NC4=CC=CC=C42","FCKWPLBUVFUNEW-UHFFFAOYSA-N","406545",NA,"PDBC08861","724693","Present"
-"1-(4-Hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-9-yl)-1-propanone","","","","","","","","","","","","","","","","","","","","1-(4-Hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-9-yl)-1-propanone","","CCC(=O)C1=CC2=C(C=C1)NC3=C(C4=C(C(=C23)C)NC(=CC4=O)C)C","DQVPSIFKNRRLQU-UHFFFAOYSA-N","496094",NA,"PDBC08862","679262","Present"
-"1-(4-Hydroxy-2-(methylthio)-7-pteridinyl)-1,2,3,4-butanetetrol","","","","","","","","","","","","","","","","","","","","1-(4-Hydroxy-2-(methylthio)-7-pteridinyl)-1,2,3,4-butanetetrol","","CSC1=NC2=NC(=CN=C2C(=O)N1)C(C(C(CO)O)O)O","QYMVMQNPXMFLEE-UHFFFAOYSA-N","135408921",NA,"PDBC08863","645748","Present"
-"1-(4-Hydroxybutyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(4-Hydroxybutyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid","","C1C(NC(C2=C1C3=CC=CC=C3N2)CCCCO)C(=O)O","HARFDEQUJYPSET-UHFFFAOYSA-N","270306",NA,"PDBC08864","112675","Present"
-"1-(4-Hydroxyphenyl)-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","PTU 24","","C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)O","PWLPSXPCUHUSAT-UHFFFAOYSA-N","703638",NA,"PDBC08865","140892","Present"
-"1-(4-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one","","","","","","","","","","","","","","","","","","","","1-(4-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4C5=CC=C(C=C5)O","QEEWROMIWCPNHC-UHFFFAOYSA-N","380671",NA,"PDBC08866","666365","Present"
-"1-(4-Iodo-phenyl)-5-(5-phenyl-isoxazol-4-yl)-1H-tetrazole","","","","","","","","","","","","","","","","","","","","1-(4-Iodo-phenyl)-5-(5-phenyl-isoxazol-4-yl)-1H-tetrazole","","C1=CC=C(C=C1)C2=C(C=NO2)C3=NN=NN3C4=CC=C(C=C4)I","SOEWHMGYXDRMEE-UHFFFAOYSA-N","406240",NA,"PDBC08867","724285","Present"
-"1-(4-Iodophenyl)-3-(2-adamantyl)guanidine","","","","","","","","","","","","","","","","","","","","1-(4-Iodophenyl)-3-(2-adamantyl)guanidine","","C1C2CC3CC1CC(C2)C3N=C(N)NC4=CC=C(C=C4)I","UUKPIWYXWLJPJF-UHFFFAOYSA-N","4239764",NA,"PDBC08868","788127","Present"
-"1-(4-Methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)ethanol","","","","","","","","","","","","","","","","","","","","1-(4-Methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)ethanol","","CC(C1C2C(C(O1)OC)OC(O2)(C)C)O","GSNRIRGBWBCNKC-UHFFFAOYSA-N","355455",NA,"PDBC08869","609073","Present"
-"1-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-3(1H)-one","","","","","","","","","","","","","","","","","","","","3-(4-Methoxy-2-methylphenyl)naphthol [2,1-c]furan-1(3H)-one","","CC1=C(C=CC(=C1)OC)C2C3=C(C=CC4=CC=CC=C43)C(=O)O2","IYQMOQGZNJIZEF-UHFFFAOYSA-N","369148",NA,"PDBC08870","640735","Present"
-"1-(4-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine","","","","","","","","","","","","","","","","","","","","1-(4-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine","","COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NNC4=CC=C(C=C4)Cl)[N+](=O)[O-]","NNDWHCOQABQZKZ-UHFFFAOYSA-N","3743024",NA,"PDBC08871","689868","Present"
-"1-(4-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine","","","","","","","","","","","","","","","","","","","","1-(4-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine","","COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NNC4=CC=CC=C4)[N+](=O)[O-]","BEQAYMHXRFQWNN-UHFFFAOYSA-N","3600666",NA,"PDBC08872","689867","Present"
-"1-(4-Methoxyanilino)-1-(ethyl)-4-pyridine","","","","","","","","","","","","","","","","","","","","4-Methoxy-N-[1-(4-pyridyl)ethyl]aniline","","CC(C1=CC=NC=C1)NC2=CC=C(C=C2)OC","XXHLFPSJCRQXCP-UHFFFAOYSA-N","383456",NA,"PDBC08873","671842","Present"
-"1-(4-Methoxyphenoxy)-2-methylpropan-2-ol","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenoxy)-2-methylpropan-2-ol","","CC(C)(COC1=CC=C(C=C1)OC)O","OQWLNYIYSYBGIG-UHFFFAOYSA-N","358351",NA,"PDBC08874","618318","Present"
-"1-(4-Methoxyphenyl)-1,3-dimethyl-3-(4-nitrophenyl)urea","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-1,3-dimethyl-3-(4-nitrophenyl)urea","","CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N(C)C2=CC=C(C=C2)OC","GNMFFSPPCBGGDJ-UHFFFAOYSA-N","381472",NA,"PDBC08875","668059","Present"
-"1-(4-Methoxyphenyl)-2,2-bis(4-phenylmethoxyphenyl)ethanol","","","","","","","","","","","","","","","","","","","","2,2-Bis[4-(benzyloxy)phenyl]-1-(4-methoxyphenyl)ethanol","","COC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)O","NZZZKJVJPOSKSX-UHFFFAOYSA-N","370873",NA,"PDBC08876","644608","Present"
-"1-(4-Methoxyphenyl)-2,2-bis(4-phenylmethoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2,2-Bis[4-(benzyloxy)phenyl]-1-(4-methoxyphenyl)ethanone","","COC1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5","PCPWEXAJFWGMJQ-UHFFFAOYSA-N","370876",NA,"PDBC08877","644611","Present"
-"1-(4-Methoxyphenyl)-2,5-dimethyl-3-phenylpyrrole","","","","","","","","","","","","","","","","","","","","1-(4-methoxyphenyl)-2,5-dimethyl-3-phenyl-1H-pyrrole","","CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CC=CC=C3","MBCPQNCYCXXTDW-UHFFFAOYSA-N","155811340",NA,"PDBC08878","764902","Present"
-"1-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole","","COC1=CC=C(C=C1)N2C=CN=C2C3=CC(=C(C(=C3)OC)OC)OC","PIGRRCXHADUOIM-UHFFFAOYSA-N","11688687",NA,"PDBC08879","735354","Present"
-"1-(4-Methoxyphenyl)-3,3'-indoline]-2',4-dione","","","","","","","","","","","","","","","","","","","","1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-1'-methylspi...","","CN1C2=CC=CC=C2C3(C1=O)C(C(=O)N3C4=CC=C(C=C4)OC)(C5=CC=CC=C5)C6=CC=CC=C6","KMNRRQZLXUEKJO-UHFFFAOYSA-N","16096359",NA,"PDBC08880","737779","Present"
-"1-(4-Methoxyphenyl)-3,4-trichloro-but-3-en-1-one","","","","","","","","","","","","","","","","","","","","1-(4-methoxyphenyl)-3,4,4-trichloro-but-3-en-1-one","","COC1=CC=C(C=C1)C(=O)CC(=C(Cl)Cl)Cl","DQMQZRXMPLGIGP-UHFFFAOYSA-N","405824",NA,"PDBC08881","723511","Present"
-"1-(4-Methoxyphenyl)-3-((4-(2-(3-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-2-oxoethoxy)phenoxy)acetyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","COC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=S)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CC(=O)N(C4=S)C5=CC=C(C=C5)OC","HZNIJNVFHZZTOU-UHFFFAOYSA-N","394035",NA,"PDBC08882","697153","Present"
-"1-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)3-(3,4,5-Trimethoxyphenyl) Prop-2-one...","","COC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC","XJYIPYGBDWACTE-BJMVGYQFSA-N","5351006",NA,"PDBC08883","631361","Present"
-"1-(4-Methoxyphenyl)-3-(4-((10-(4-(3-(4-methoxyphenyl)-3-oxo-1-propenyl)phenoxy)decyl)oxy)phenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Methoxyphenyl)-3-[4-[10-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]decoxy]phenyl]prop-2-en-1-one","","COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCCCCCCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)OC","PBMJSICNGYORIH-CMNXJCJSSA-N","5467688",NA,"PDBC08884","657870","Present"
-"1-(4-Methoxyphenyl)-3-(4-(3-(4-(3-(4-methoxyphenyl)-3-oxo-1-propenyl)phenoxy)propoxy)phenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Methoxyphenyl)-3-[4-[3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]propoxy]phenyl]prop-2-en-1-one","","COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)OC","FIEBVKJFIQEXHC-NZRSMXNRSA-N","5467687",NA,"PDBC08885","657869","Present"
-"1-(4-Methoxyphenyl)-3-(4-methyl-2-pyridyl)thiourea","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-N'-(4-methyl-2-pyridinyl)thiourea","","CC1=CC(=NC=C1)NC(=S)NC2=CC=C(C=C2)OC","XUZVLSOHXKYDMM-UHFFFAOYSA-N","3005382",NA,"PDBC08886","695327","Present"
-"1-(4-Methoxyphenyl)-3-(5-methoxy-1H-benzoimidazole-2-yl)-beta-carboline","","","","","","","","","","","","","","","","","","","","3-(6-methoxy-1H-benzo[d]imidazol-2-yl)-1-(4-methoxypheny...","","COC1=CC=C(C=C1)C2=C3C(=CC(=N2)C4=NC5=C(N4)C=C(C=C5)OC)C6=CC=CC=C6N3","RLZFNFXVGCTDLL-UHFFFAOYSA-N","102220009",NA,"PDBC08887","765800","Present"
-"1-(4-Methoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","1-(4-methoxyphenyl)-3-(6-methyl-1H-benzo[d]imidazol-2-yl...","","CC1=CC2=C(C=C1)N=C(N2)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC=C(C=C6)OC","NOIWXSZLBOAAHU-UHFFFAOYSA-N","155805104",NA,"PDBC08888","764568","Present"
-"1-(4-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","VNBVXXOXAMYAFL-UHFFFAOYSA-N","3005271",NA,"PDBC08889","687868","Present"
-"1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]urea","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]urea","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)OC","JFOZFYPBIYNWCB-UHFFFAOYSA-N","381840",NA,"PDBC08890","668913","Present"
-"1-(4-Methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","CC1=NC(=CC=C1)C=NNC(=S)NC2=CC=C(C=C2)OC","JTROJADUGZRALX-MHWRWJLKSA-N","9571482",NA,"PDBC08891","670963","Present"
-"1-(4-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea","","CC(=NNC(=S)NC1=CC=C(C=C1)OC)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=C(C=C3)OC)C","JTKHOYAYUPIKBQ-MALYEEFDSA-N","6375828",NA,"PDBC08892","668486","Present"
-"1-(4-Methoxyphenyl)-3-[10-[3-(4-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-10-oxo-decanoyl]-2-thioxo-hexahydropyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-3-[10-[3-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-10-oxodecanoyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","COC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=S)C(=O)CCCCCCCCC(=O)N3C(=O)CC(=O)N(C3=S)C4=CC=C(C=C4)OC","PFQLZSAFMXCSDJ-UHFFFAOYSA-N","395655",NA,"PDBC08893","700437","Present"
-"1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-5-oxo-2-thioxo-imidazolidin-1-yl]-2-oxo-ethoxy]phenoxy]acetyl]-2-thioxo-imidazolidin-4-one","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylideneimidazolidin-4-one","","COC1=CC=C(C=C1)N2CC(=O)N(C2=S)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CN(C4=S)C5=CC=C(C=C5)OC","GARCKZWVQHRBOD-UHFFFAOYSA-N","394032",NA,"PDBC08894","697150","Present"
-"1-(4-Methoxyphenyl)-4-methyl-1-penten-3-one","","","","","","","","","","","","","","","","","","","","2Z3552U0OY","","CC(C)C(=O)C=CC1=CC=C(C=C1)OC","ZIXVMEYRFPMOAV-RMKNXTFCSA-N","5373780",NA,"PDBC08895","651746","Present"
-"1-(4-Methoxyphenyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione","","CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2C3=CC=C(C=C3)OC)C)C)C","WQMQKRHQGOKJGE-UHFFFAOYSA-N","391906",NA,"PDBC08896","691587","Present"
-"1-(4-Methoxyphenyl)-4-methylsulfanyl-2,6-dioxo-3H-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-4-methylsulfanyl-2,6-dioxo-3H-pyridine-3,5-dicarbonitrile","","COC1=CC=C(C=C1)N2C(=O)C(C(=C(C2=O)C#N)SC)C#N","RBXBSHVGUQNSDB-UHFFFAOYSA-N","390308",NA,"PDBC08897","687600","Present"
-"1-(4-Methoxyphenyl)-5-phenyl-2,3-bis(2-thienyl)pyrrole","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-5-phenyl-2,3-bis(2-thienyl)pyrrole","","COC1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CS3)C4=CC=CS4)C5=CC=CC=C5","YBHIJPKGACWFCS-UHFFFAOYSA-N","395531",NA,"PDBC08898","700221","Present"
-"1-(4-Methoxyphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)sulfonyl-5-oxo-pyrrolidine-2-carbohydrazide","","COC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NN","ALCNWTPUCAEWFD-UHFFFAOYSA-N","393742",NA,"PDBC08899","696267","Present"
-"1-(4-Methoxyphenylazo)-2-naphthol","","","","","","","","","","","","","","","","","","","","XYVPTQBXFHRJJR-VHEBQXMUSA-N","","COC1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O","XYVPTQBXFHRJJR-UHFFFAOYSA-N","139450",NA,"PDBC08900","70811","Present"
-"1-(4-Methoxyphenylethynyl)-1H-benzotriazole","","","","","","","","","","","","","","","","","","","","Benzotriazole, 1-(p-methoxyphenylethynyl)","","COC1=CC=C(C=C1)C#CN2C3=CC=CC=C3N=N2","QFCMXLTZVNVKMV-UHFFFAOYSA-N","400577",NA,"PDBC08901","712700","Present"
-"1-(4-Methoxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(4-Methoxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid","","COC1=CC(=NC=C1)C(=O)N2CCCC2C(=O)O","PBHULYFMJCXPQC-UHFFFAOYSA-N","386441",NA,"PDBC08902","678409","Present"
-"1-(4-Methyl-2-pyridyl)-3-(4-nitrophenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Methyl-2-pyridyl)-3-(4-nitrophenyl)thiourea","","CC1=CC(=NC=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]","BHYBUPLWNZSQFP-UHFFFAOYSA-N","3005389",NA,"PDBC08903","695336","Present"
-"1-(4-Methylphenyl)-3-[(4-methylphenyl)carbamothioylamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Methylphenyl)-3-[(4-methylphenyl)carbamothioylamino]thiourea","","CC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=C(C=C2)C","LBGSTDNBOJSFJU-UHFFFAOYSA-N","4268411",NA,"PDBC08904","42070","Present"
-"1-(4-Methylphenyl)-3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-sulfanylideneimidazolidine-4,5-dione","","","","","","","","","","","","","","","","","","","","1-(4-Methylphenyl)-3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-sulfanylideneimidazolidine-4,5-dione","","CC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)N=C3C4=CC=CC=C4NC3=O","WPWXNKZJOBVGRP-UHFFFAOYSA-N","135436174",NA,"PDBC08905","711649","Present"
-"1-(4-Methylphenyl)-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2-propen-1-one","","","","","","","","","","","","","","","","","","","","1-p-Tolyl-3-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl...","","CC1=CC=C(C=C1)C(=O)C=CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F","CGRIBUPTAJPNPA-MDZDMXLPSA-N","1046793",NA,"PDBC08906","723913","Present"
-"1-(4-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(4-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","CC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2","FQIOKSYXWYQRQN-UHFFFAOYSA-N","382385",NA,"PDBC08907","669943","Present"
-"1-(4-Methylphenyl)-4-(2-phenylhydrazino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","1-(4-Methylphenyl)-4-(2-phenylhydrazino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","CC1=CC=C(C=C1)N2C3=C(C(=NNC3=O)NNC4=CC=CC=C4)N=N2","AQMWRZRCRUSQLD-UHFFFAOYSA-N","386622",NA,"PDBC08908","679076","Present"
-"1-(4-Methylphenyl)sulfonyl-3-(1H-1,2,4-triazol-5-yl)urea","","","","","","","","","","","","","","","","","","","","5-(((((4-Methylphenyl)sulfonyl)amino)carbonyl)amino)-1H-1,2,4-triazole","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC=NN2","LJNUZETZYDBYKN-UHFFFAOYSA-N","328629",NA,"PDBC08909","307711","Present"
-"1-(4-Morpholinomethyl)-1H-benzotriazole","","","","","","","","","","","","","","","","","","","","91S3WP4AQU","","C1COCCN1CN2C3=CC=CC=C3N=N2","YZYQTUBWZGCDLR-UHFFFAOYSA-N","79626",NA,"PDBC08910","29448","Present"
-"1-(4-Morpholinyl)tricyclo[4.4.0.0~2,5~]decane-2-carboxamide","","","","","","","","","","","","","","","","","","","","1-Morpholin-4-yltricyclo[4.4.0.02,5]decane-2-carboxamide","","C1CCC2(C(C1)C3C2(CC3)C(=O)N)N4CCOCC4","VHTKZMLCDHTFHU-UHFFFAOYSA-N","362135",NA,"PDBC08911","625711","Present"
-"1-(4-Nitrobenzoyl)piperidin-2-one","","","","","","","","","","","","","","","","","","","","1-(4-Nitrobenzoyl)piperidin-2-one","","C1CCN(C(=O)C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]","JMGVBIQIKMIKDH-UHFFFAOYSA-N","386113",NA,"PDBC08912","677745","Present"
-"1-(4-Nitrobenzylidene)-4-(2-naphthyl)semicarbazide","","","","","","","","","","","","","","","","","","","","1-(4-Nitrobenzylidene)-4-(2-naphthyl)semicarbazide","","C1=CC=C2C=C(C=CC2=C1)NC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","DAIGGMQSRPNLMQ-UNOMPAQXSA-N","5907800",NA,"PDBC08913","689299","Present"
-"1-(4-Nitrobenzylidene)-4-(6-methoxy-2-naphthyl)semicarbazide","","","","","","","","","","","","","","","","","","","","1-(4-Nitrobenzylidene)-4-(6-methoxy-2-naphthyl)semicarbazide","","COC1=CC2=C(C=C1)C=C(C=C2)NC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","IUNFBMDULNORTL-NDENLUEZSA-N","5901199",NA,"PDBC08914","690273","Present"
-"1-(4-Nitrophenyl)-1-phenyl-4-pyrrolidin-1-yl-but-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","1-(4-Nitrophenyl)-1-phenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol","","C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=C(C=C3)[N+](=O)[O-])O","DPUSEYVMAHGNQL-UHFFFAOYSA-N","384663",NA,"PDBC08915","674708","Present"
-"1-(4-Nitrophenyl)-2-(4-nonylpyridin-1-ium-1-yl)ethanone;bromide","","","","","","","","","","","","","","","","","","","","1-(4-Nitrophenyl)-2-(4-nonylpyridin-1-ium-1-yl)ethanone;bromide","","CCCCCCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]","LHYZSAMAOBMUAG-UHFFFAOYSA-M","24181044",NA,"PDBC08916","4307","Present"
-"1-(4-Nitrophenyl)-2-(pyrrolidin-1-yl)diazene","","","","","","","","","","","","","","","","","","","","1-(4-Nitrophenyl)-2-(pyrrolidin-1-yl)diazene","","C1CCN(C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]","VBIXEELEFIOGQR-UHFFFAOYSA-N","390397",NA,"PDBC08917","687751","Present"
-"1-(4-Nitrophenyl)-3-(2-pyridyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Nitrophenyl)-3-(2-pyridyl)thiourea","","C1=CC=NC(=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]","IKPNWTCMAUGXEP-UHFFFAOYSA-N","3005383",NA,"PDBC08918","695329","Present"
-"1-(4-Nitrophenyl)-3-[(9E,12Z)-octadeca-9,12-dienyl]urea","","","","","","","","","","","","","","","","","","","","1-(4-Nitrophenyl)-3-[(9E,12Z)-octadeca-9,12-dienyl]urea","","CCCCCC=CCC=CCCCCCCCCNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]","HFWGBPPQJSGWJH-IXWMQOLASA-N","5356823",NA,"PDBC08919","67041","Present"
-"1-(4-Nitrophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(4-Nitrophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]","MHYVZUBLPVZWEL-UHFFFAOYSA-N","3705169",NA,"PDBC08920","670960","Present"
-"1-(4-Nitrophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline","","","","","","","","","","","","","","","","","","","","1-(4-nitrophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline","","CC1=CC2=CC3=C(C=C2C(=N1)C4=CC=C(C=C4)[N+](=O)[O-])OCO3","BHVKBVYLGQUKEY-UHFFFAOYSA-N","404207",NA,"PDBC08921","720374","Present"
-"1-(4-Nitrophenyl)-5-oxo-4-propyl-4,5-dihydro[1,3]thiazolo[3,2-a]quinazolin-10-ium bromide","","","","","","","","","","","","","","","","","","","","1-(4-Nitrophenyl)-5-oxo-4-propyl-4,5-dihydro[1,3]thiazolo[3,2-a]quinazolin-10-ium bromide","","CCCN1C(=O)C2=CC=CC=C2[N+]3=C1SC=C3C4=CC=C(C=C4)[N+](=O)[O-].[Br-]","QEBVUGFQZMQSHS-UHFFFAOYSA-M","376590",NA,"PDBC08922","657603","Present"
-"1-(4-Nitrophenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate","","","","","","","","","","","","","","","","","","","","1-(4-Nitrophenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate","","CC(C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C","DEZODTPLVNXUTD-UHFFFAOYSA-N","9868067",NA,"PDBC08923","728913","Present"
-"1-(4-Nitrophenylazo)-2-hydroxynaphthalene-3-carboxanilide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-[(4-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide","","C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)[N+](=O)[O-]","VZEZEKXEFKSTBJ-UHFFFAOYSA-N","239857",NA,"PDBC08924","45596","Present"
-"1-(4-Pentadecylphenyl)-2-pyridin-1-ium-1-ylethanone;iodide","","","","","","","","","","","","","","","","","","","","Pyridinium, 1-[2-oxo-2-(4-pentadecylphenyl)ethyl]-, iodide","","CCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[I-]","YCFNFMQQVRRYRI-UHFFFAOYSA-M","21144530",NA,"PDBC08925","158414","Present"
-"1-(4-Pentenyl)-2-piperidinethione","","","","","","","","","","","","","","","","","","","","1-(4-Pentenyl)-2-piperidinethione","","C=CCCCN1CCCCC1=S","FVEHFQSIHIAVHQ-UHFFFAOYSA-N","373269",NA,"PDBC08926","649422","Present"
-"1-(4-Pentoxyphenyl)-N-[4-[2-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine","","","","","","","","","","","","","","","","","","","","1-(4-Pentoxyphenyl)-N-[4-[2-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine","","CCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)CCC3=CC=C(C=C3)N=CC4=CC=C(C=C4)OCCCCC","MSJWCDJREGIZCR-UHFFFAOYSA-N","357335",NA,"PDBC08927","615602","Present"
-"1-(4-Phenyl-1,3-dithiol-2-yl)piperidine","","","","","","","","","","","","","","","","","","","","1-(4-Phenyl-1,3-dithiol-2-yl)piperidine","","C1CCN(CC1)C2SC=C(S2)C3=CC=CC=C3","ADBWETCLQOHQHB-UHFFFAOYSA-N","325089",NA,"PDBC08928","292692","Present"
-"1-(4-Phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)pentane-1,2,3,4,5-pentol","","","","","","","","","","","","","","","","","","","","1-(4-Phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)pentane-1,2,3,4,5-pentol","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=C4C(C(C(C(CO)O)O)O)O","LPGHFBZYOOBXDK-UHFFFAOYSA-N","24205450",NA,"PDBC08929","735808","Present"
-"1-(4-Phenylphenyl)-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone;iodide","","","","","","","","","","","","","","","","","","","","1-[2-(biphenyl-4-yl)-2-oxoethyl]-3,5,7-triaza-1-azoniatr...","","C1N2CN3CN1C[N+](C2)(C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[I-]","CRAOGNOTDDTUBO-UHFFFAOYSA-M","5351745",NA,"PDBC08930","35450","Present"
-"1-(4-Sulfamoylbenzyl)-3-(p-tolylsulfonyl)urea","","","","","","","","","","","","","","","","","","","","1-(4-Sulfamoylbenzyl)-3-(p-tolylsulfonyl)urea","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N","SUISBJIQAXBTPL-UHFFFAOYSA-N","395825",NA,"PDBC08931","700717","Present"
-"1-(4-{3-[4-(2-Methoxy phenyl)hexahydro-1-pyrazinyl]propoxy}phenyl)-2-(2-oxo-2,3-dihydro-1H-3-indolyliden)-1-ethanone","","","","","","","","","","","","","","","","","","","","1-(4-{3-[4-(2-methoxy phenyl)hexahydro-1-pyrazinyl]propo...","","COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)C(=O)C=C4C5=CC=CC=C5NC4=O","CZWVQPPTHSWRMK-NJNXFGOHSA-N","45028190",NA,"PDBC08932","741458","Present"
-"1-(4-{[5-(2-Hydroxy-phenyl)-2-thiox o-[1,4]oxadiazol-3-ylmethyl]-amin o}-phenyl)-ethanone","","","","","","","","","","","","","","","","","","","","1-(4-{[5-(2-Hydroxy-phenyl)-2-thiox o-[1,3,4]oxadiazol-3...","","CC(=O)C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=CC=C3O","BZJBYBVHJYZQJD-UHFFFAOYSA-N","135585516",NA,"PDBC08933","731987","Present"
-"1-(4Ah-Carbazol-9(9aH)-yl)-2-(diphenylamino)ethanone","","","","","","","","","","","","","","","","","","","","1-(4aH-Carbazol-9(9aH)-yl)-2-(diphenylamino)ethanone","","C1=CC=C(C=C1)N(CC(=O)N2C3C=CC=CC3C4=CC=CC=C42)C5=CC=CC=C5","HCRSOINTWGKLNB-UHFFFAOYSA-N","375090",NA,"PDBC08934","654103","Present"
-"1-(4H-3,1-Benzoxazin-2-yl)imidazolidin-2-thione","","","","","","","","","","","","","","","","","","","","1-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione","","C1CN(C(=S)N1)C2=NC3=CC=CC=C3CO2","CYYPTOGRNRPRKE-UHFFFAOYSA-N","45028034",NA,"PDBC08935","740810","Present"
-"1-(5'-Fluoro-6'-hydroxy-5',6'-dihydrouracil-5'-yl)-5-fluorouracil","","","","","","","","","","","","","","","","","","","","1-(5'-Fluoro-6'-hydroxy-5',6'-dihydrouracil-5'-yl)-5-flu...","","C1=C(C(=O)NC(=O)N1C2(C(NC(=O)NC2=O)O)F)F","NLAFMRFXDRRFSK-UHFFFAOYSA-N","379482",NA,"PDBC08936","664145","Present"
-"1-(5,6-Dichloro-2,4-disulfamoylphenyl)-3-(p-tolylsulfonyl)urea","","","","","","","","","","","","","","","","","","","","1-(5,6-Dichloro-2,4-disulfamoylphenyl)-3-(p-tolylsulfonyl)urea","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl)Cl","XGDNBPSADFJVLS-UHFFFAOYSA-N","396510",NA,"PDBC08937","702695","Present"
-"1-(5,6-Dimethylbenzothiazol-2-yl)-4-[(3-nitrophenyl)methylene]-2-phenyl-1,3-di azolin-5-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one","","CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)C5=CC=CC=C5","YQKVTJNTENMRST-STZFKDTASA-N","5471543",NA,"PDBC08938","711857","Present"
-"1-(5,6-Dimethylbenzothiazol-2-yl)-4-[(4-methylthiophenyl)methylene]-2-phenyl-1,3-diazolin-5-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one","","CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)SC)C3=O)C5=CC=CC=C5","PXMNMPNLLYUNHV-JCMHNJIXSA-N","5471545",NA,"PDBC08939","711859","Present"
-"1-(5,6-Diphenyl-1,2,4-triazin-3-yl)-3-phenyl-1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(5,6-Diphenyl-1,2,4-triazin-3-yl)-3-phenyl-1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea","","C1=CC=C(C=C1)C=CC=NN(C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5","BQFSHCDZAXFXHG-ZVABOPLWSA-N","9554722",NA,"PDBC08940","640637","Present"
-"1-(5,8-Dimethoxy-1-naphthyl)ethanone","","","","","","","","","","","","","","","","","","","","1-(5,8-Dimethoxy-1-naphthyl)ethanone","","CC(=O)C1=CC=CC2=C(C=CC(=C21)OC)OC","QYCPCTSAMIMLQQ-UHFFFAOYSA-N","376840",NA,"PDBC08941","657958","Present"
-"1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)butan-1-ol","","","","","","","","","","","","","","","","","","","","1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)butan-1-ol","","CCCC(C1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)[N+](=O)[O-])C)O","SUHUHRCJFKHDNW-UHFFFAOYSA-N","374583",NA,"PDBC08942","652556","Present"
-"1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)ethanone hydrazone","","","","","","","","","","","","","","","","","","","","1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)ethanone hydrazone","","CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)C(=NN)C)C)[N+](=O)[O-]","KRBRNDLWTOCOTD-GRSHGNNSSA-N","6078917",NA,"PDBC08943","652561","Present"
-"1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)hexan-1-one","","","","","","","","","","","","","","","","","","","","1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)hexan-1-one","","CCCCCC(=O)C1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)[N+](=O)[O-])C","PRXOEVBGDSMKHD-UHFFFAOYSA-N","374585",NA,"PDBC08944","652558","Present"
-"1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)propan-1-one oxime","","","","","","","","","","","","","","","","","","","","1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)propan-1-one oxime","","CCC(=NO)C1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)[N+](=O)[O-])C","KGAIHAUUDGFXDP-UYRXBGFRSA-N","6273655",NA,"PDBC08945","652560","Present"
-"1-(5-(3,4-Dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol","","","","","","","","","","","","","","","","","","","","1-(5-(3,4-Dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol","","COC1=C(C=C(C=C1)C2CC(=NN2)C3=C(C=CC4=CC=CC=C43)O)OC","QYRRINJOHZQPOP-UHFFFAOYSA-N","390433",NA,"PDBC08946","687787","Present"
-"1-(5-(3-(1,3-Benzodioxol-5-yl)-5-phenyl-2-furyl)-2-thienyl)ethanone","","","","","","","","","","","","","","","","","","","","1-(5-(3-(1,3-Benzodioxol-5-yl)-5-phenyl-2-furyl)-2-thienyl)ethanone","","CC(=O)C1=CC=C(S1)C2=C(C=C(O2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5","HYXUDRJIGUUASB-UHFFFAOYSA-N","395509",NA,"PDBC08947","700199","Present"
-"1-(5-(3-Methyl-5-isoxazolyl)-1H-pyrrol-2-yl)-2,2,2-triphenylethanone","","","","","","","","","","","","","","","","","","","","1-(5-(3-Methyl-5-isoxazolyl)-1H-pyrrol-2-yl)-2,2,2-triphenylethanone","","CC1=NOC(=C1)C2=CC=C(N2)C(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5","KYWWGTKCWXHCGV-UHFFFAOYSA-N","393091",NA,"PDBC08948","694475","Present"
-"1-(5-(8-(5-(1-Piperidinyl)-1,3,4-oxadiazol-2-yl)octyl)-1,3,4-oxadiazol-2-yl)piperidine","","","","","","","","","","","","","","","","","","","","1-(5-(8-(5-(1-Piperidinyl)-1,3,4-oxadiazol-2-yl)octyl)-1,3,4-oxadiazol-2-yl)piperidine","","C1CCN(CC1)C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)N4CCCCC4","QSAAYCMBTXGCHP-UHFFFAOYSA-N","394064",NA,"PDBC08949","697182","Present"
-"1-(5-Bromo-2-thienyl)-1-propanone O-ethyloxime","","","","","","","","","","","","","","","","","","","","1-(5-Bromo-2-thienyl)-1-propanone O-ethyloxime","","CCC(=NOCC)C1=CC=C(S1)Br","BUNIMHCQAOEESB-XFFZJAGNSA-N","6375274",NA,"PDBC08950","681317","Present"
-"1-(5-Bromo-2-thienyl)-1-propanone oxime","","","","","","","","","","","","","","","","","","","","1-(5-Bromo-2-thienyl)-1-propanone oxime","","CCC(=NO)C1=CC=C(S1)Br","PQQTWLXMARBUML-UITAMQMPSA-N","6375867",NA,"PDBC08951","681316","Present"
-"1-(5-Bromo-4-nitrothiophen-2-yl)propan-1-one","","","","","","","","","","","","","","","","","","","","1-(5-Bromo-4-nitrothiophen-2-yl)propan-1-one","","CCC(=O)C1=CC(=C(S1)Br)[N+](=O)[O-]","JDEVKENZHCONKI-UHFFFAOYSA-N","220712",NA,"PDBC08952","3847","Present"
-"1-(5-Chloro-2,4-disulfamoylphenyl)-3-(p-tolylsulfonyl)urea","","","","","","","","","","","","","","","","","","","","1-(5-Chloro-2,4-disulfamoylphenyl)-3-(p-tolylsulfonyl)urea","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl","WIQQSAWZLPLKFB-UHFFFAOYSA-N","396509",NA,"PDBC08953","702694","Present"
-"1-(5-Chloro-2-hydroxyphenylazo)-2-naphthol","","","","","","","","","","","","","","","","","","","","Flazo Orange","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)O)O","HQKOBNMULFASAN-UHFFFAOYSA-N","77111",NA,"PDBC08954","83218","Present"
-"1-(5-Chloro-2-methoxyphenyl)-2-(dipentylamino)ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(5-Chloro-2-methoxyphenyl)-2-(dipentylamino)ethanol;hydrochloride","","CCCCCN(CCCCC)CC(C1=C(C=CC(=C1)Cl)OC)O.Cl","UYKZCNJYTZGPCZ-UHFFFAOYSA-N","24181655",NA,"PDBC08955","10641","Present"
-"1-(5-Chloro-2-nitro-phenyl)-3,5-diphenyl-pyrazole","","","","","","","","","","","","","","","","","","","","1-(5-Chloro-2-nitrophenyl)-3,5-diphenyl-1H-pyrazole","","C1=CC=C(C=C1)C2=CC(=NN2C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4","YONVRKBDXGZABX-UHFFFAOYSA-N","382941",NA,"PDBC08956","670824","Present"
-"1-(5-Chloro-2-thienyl)-3-(3-thienyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","1-(5-Chloro-2-thienyl)-3-(3-thienyl)-2-propen-1-one","","C1=CSC=C1C=CC(=O)C2=CC=C(S2)Cl","KQHRVKAQGYEHQH-OWOJBTEDSA-N","5467678",NA,"PDBC08957","657749","Present"
-"1-(5-Chloro-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)ethyl 4-morpholinecarbodithioate","","","","","","","","","","","","","","","","","","","","1-(5-Chloro-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)ethyl 4-morpholinecarbodithioate","","CC(C1=CC2=C(C=C1Cl)N(C(=O)O2)C)SC(=S)N3CCOCC3","XPXWUJKAOQFDEU-UHFFFAOYSA-N","365106",NA,"PDBC08958","632133","Present"
-"1-(5-Chloro-6-fluorobenzothiazol-2-yl)-4-[(4-methylthiophenyl)methylene]-2-phe nyl-1,3-diazolin-5-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-(5-Chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one","","CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=CC(=C(C=C5S4)F)Cl","FALLISFTNUJCPP-JAIQZWGSSA-N","5471525",NA,"PDBC08959","711839","Present"
-"1-(5-Chloronaphthalenesulfonyl)homopiperazine hydrochloride","","","","","","","","","","","","","","","","","","","","1-(5-Chloronaphthalenesulfonyl)homopiperazine hydrochloride","","C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl.Cl","ZNRYCIVTNLZOGI-UHFFFAOYSA-N","108047",NA,"PDBC08960","734549","Present"
-"1-(5-Dimethoxymethyl-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[5-(Dimethoxymethyl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropyrimidine-2,4-dione","","COC(C1C(C(C(O1)CO)N2C=C(C(=O)NC2=O)F)O)OC","PVANNJOKKPSCMK-UHFFFAOYSA-N","393726",NA,"PDBC08961","696244","Present"
-"1-(5-Methyl-2,4-dinitrophenyl)pyrrolidine","","","","","","","","","","","","","","","","","","","","2,4-Dinitro-5-N-pyrrolidinotoluene","","CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2CCCC2","ZEQJUVSCPZFGIE-UHFFFAOYSA-N","389491",NA,"PDBC08962","685714","Present"
-"1-(5-Methyl-4-methylene-6,8-dioxabicyclo[3.2.1]oct-1-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(5-Methyl-4-methylene-6,8-dioxabicyclo[3.2.1]oct-1-yl)ethanone","","CC(=O)C12CCC(=C)C(O1)(OC2)C","UBHGCQCEMZTODD-UHFFFAOYSA-N","362180",NA,"PDBC08963","625764","Present"
-"1-(5-Methylbenzo[f][2,7]naphthyridin-4-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(5-Methylbenzo[c][2,7]naphthyridin-4-yl)ethanone","","CC1=NC2=CC=CC=C2C3=C1C(=NC=C3)C(=O)C","CCVWLYHHYMPQPG-UHFFFAOYSA-N","403408",NA,"PDBC08964","718209","Present"
-"1-(5-Methylheptan-3-yl)-3-[2-(5-methylheptan-3-ylamino)ethyl]imidazolidine-2-thione","","","","","","","","","","","","","","","","","","","","1-(5-Methylheptan-3-yl)-3-{2-[(5-methylheptan-3-yl)amino]ethyl}imidazolidine-2-thione","","CCC(C)CC(CC)NCCN1CCN(C1=S)C(CC)CC(C)CC","CIWBMSQYQSFOND-UHFFFAOYSA-N","249745",NA,"PDBC08965","68415","Present"
-"1-(5-Nitro-1-benzothiophen-2-yl)-N-pyrazin-2-ylmethanimine","","","","","","","","","","","","","","","","","","","","1-(5-Nitro-1-benzothiophen-2-yl)-N-pyrazin-2-ylmethanimine","","C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C=NC3=NC=CN=C3","QBHJVBZLEBCLGX-UHFFFAOYSA-N","400287",NA,"PDBC08966","711821","Present"
-"1-(5-Oxo-3-phenyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(5-Oxo-3-phenyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione","","C1=CC=C(C=C1)C2=NNC(=O)N2N3C(=O)C=CC3=O","VCTDFAKGEDXZFO-UHFFFAOYSA-N","388160",NA,"PDBC08967","682724","Present"
-"1-(5-Oxo-3-propyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-(5-Oxo-3-propyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione","","CCCC1=NNC(=O)N1N2C(=O)C=CC2=O","JJSHNTJQZKDCIP-UHFFFAOYSA-N","388159",NA,"PDBC08968","682723","Present"
-"1-(5-Pent-4-enylfuran-2-yl)tridecan-1-ol","","","","","","","","","","","","","","","","","","","","1-(5-Pent-4-enylfuran-2-yl)tridecan-1-ol","","CCCCCCCCCCCCC(C1=CC=C(O1)CCCC=C)O","XQCXNHYAYYRBRZ-UHFFFAOYSA-N","24205350",NA,"PDBC08969","735213","Present"
-"1-(5-Phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-naphthol","","C1=CC=C(C=C1)C2=NNC(S2)C3=C(C=CC4=CC=CC=C43)O","QIHMPEZAXBQNBF-UHFFFAOYSA-N","3136570",NA,"PDBC08970","752631","Present"
-"1-(5-Undecylfuran-2-yl)pent-4-en-1-ol","","","","","","","","","","","","","","","","","","","","1-(5-Undecylfuran-2-yl)pent-4-en-1-ol","","CCCCCCCCCCCC1=CC=C(O1)C(CCC=C)O","AVNRFEKFASGBSM-UHFFFAOYSA-N","24205351",NA,"PDBC08971","735214","Present"
-"1-(6,6-Dichloro-4-oxabicyclo[3.1.0]hexan-5-yl)benzimidazole","","","","","","","","","","","","","","","","","","","","1-(6,6-Dichloro-4-oxabicyclo[3.1.0]hexan-5-yl)benzimidazole","","C1COC2(C1C2(Cl)Cl)N3C=NC4=CC=CC=C43","FBFWSQQSRNUUDF-UHFFFAOYSA-N","388073",NA,"PDBC08972","682536","Present"
-"1-(6,7-Dichloro-1-(4-chlorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol","","","","","","","","","","","","","","","","","","","","1-(6,7-Dichloro-1-(4-chlorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol","","C1=CC(=CC=C1N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(C(CO)O)O)O)Cl)Cl)Cl","AVORHLCCZHJPOW-UHFFFAOYSA-N","365567",NA,"PDBC08973","633362","Present"
-"1-(6,7-Dichloro-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol","","","","","","","","","","","","","","","","","","","","1-(6,7-Dichloro-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol","","C1=CC(=CC=C1N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(C(CO)O)O)O)Cl)Cl)F","UOJGTRSFHPXGMP-UHFFFAOYSA-N","365569",NA,"PDBC08974","633364","Present"
-"1-(6,7-Dichloro-1-phenyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2,3-dihydroxypropyl hexopyranoside","","","","","","","","","","","","","","","","","","","","2-[1-(6,7-Dichloro-1-phenylpyrazolo[3,4-b]quinolin-3-yl)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","C1=CC=C(C=C1)N2C3=C(C=C4C=C(C(=CC4=N3)Cl)Cl)C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O","DPRUXQRNRABTOH-UHFFFAOYSA-N","365563",NA,"PDBC08975","633358","Present"
-"1-(6,7-Dichloro-1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol","","","","","","","","","","","","","","","","","","","","1-(6,7-Dichloro-1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol","","C1=CC=C(C=C1)N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(C(CO)O)O)O)Cl)Cl","DCNOQABWTKMHAI-UHFFFAOYSA-N","365566",NA,"PDBC08976","633361","Present"
-"1-(6,7-Dichloro-1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3-propanetriol","","","","","","","","","","","","","","","","","","","","1-(6,7-Dichloro-1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3-propanetriol","","C1=CC=C(C=C1)N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(CO)O)O)Cl)Cl","JKZVIHCLEIAROD-UHFFFAOYSA-N","365573",NA,"PDBC08977","633368","Present"
-"1-(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)cyclohexanol","","","","","","","","","","","","","","","","","","","","Cyclohexanol, 1-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoq...","","COC1=C(C=C2C(NCCC2=C1)C3(CCCCC3)O)OC","AUNGERODPATJIY-UHFFFAOYSA-N","374760",NA,"PDBC08978","653004","Present"
-"1-(6,7-Dimethoxy-2-thiophen-2-ylquinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one","","","","","","","","","","","","","","","","","","","","2-(3,4,5-trimethoxyphenyl)-1-[(6,7-dimethoxy-2-(2-thieny...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=CC(=C(C=C54)OC)OC)C6=CC=CS6","GHWVEADPFDYXSK-UHFFFAOYSA-N","405788",NA,"PDBC08979","723431","Present"
-"1-(6,7-Dimethyl-1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)ethane-1,2-diol","","","","","","","","","","","","","","","","","","","","1-(6,7-Dimethyl-1-phenyl-1h-pyrazolo[3,4-b]quinoxalin-3-yl)ethane-1,2-diol","","CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3C4=CC=CC=C4)C(CO)O","FWBABSFHSPDGRT-UHFFFAOYSA-N","400839",NA,"PDBC08980","713359","Present"
-"1-(6-(Hydroxymethyl)-2,2-diphenyltetrahydrofuro[3,4-d][1,3,2]dioxastannol-4-yl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","4-Amino-1-[6-(hydroxymethyl)-2,2-diphenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-4-yl]pyrimidin-2-one","","C1=CC=C(C=C1)[Sn]2(OC3C(OC(C3O2)N4C=CC(=NC4=O)N)CO)C5=CC=CC=C5","BZWSVBLGVDPVFX-UHFFFAOYSA-N","16682876",NA,"PDBC08981","268665","Present"
-"1-(6-Bromo-2-chloroquinolin-3-yl)-N-(3-methoxyphenyl)methanimine","","","","","","","","","","","","","","","","","","","","1-(6-Bromo-2-chloroquinolin-3-yl)-N-(3-methoxyphenyl)methanimine","","COC1=CC=CC(=C1)N=CC2=C(N=C3C=CC(=CC3=C2)Br)Cl","XRCTWBYZTMBTQR-UHFFFAOYSA-N","402200",NA,"PDBC08982","716091","Present"
-"1-(6-Bromo-2-chloroquinolin-3-yl)-N-(4-chlorophenyl)methanimine","","","","","","","","","","","","","","","","","","","","1-(6-Bromo-2-chloroquinolin-3-yl)-N-(4-chlorophenyl)methanimine","","C1=CC(=CC=C1N=CC2=C(N=C3C=CC(=CC3=C2)Br)Cl)Cl","ZFAVBSUUAKSFJQ-UHFFFAOYSA-N","402198",NA,"PDBC08983","716089","Present"
-"1-(6-Bromo-2-thiophen-2-ylquinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one","","","","","","","","","","","","","","","","","","","","2-(3,4,5-trimethoxyphenyl)-1-[(6-bromo-2-(2-thienyl)-4- ...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6","ZIGICGKVIOHWGX-UHFFFAOYSA-N","405787",NA,"PDBC08984","723430","Present"
-"1-(6-Bromo-2-thiophen-2-ylquinazolin-4-yl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one","","","","","","","","","","","","","","","","","","","","2-(para-methoxyphenyl)-1-[(6-bromo-2-(2-thienyl)-4- quin...","","COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6","FLDNGWRPAJEGIJ-UHFFFAOYSA-N","405785",NA,"PDBC08985","723428","Present"
-"1-(6-Chloro-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-Acetyl-7-chloro-2,3-dihydro-1h-imidazo[1,2-a]benzimidazole","","CC(=O)N1CCN2C1=NC3=C2C=CC(=C3)Cl","NMDPADWGHCMEIZ-UHFFFAOYSA-N","400917",NA,"PDBC08986","713601","Present"
-"1-(6-Chloro-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine","","","","","","","","","","","","","","","","","","","","1-(6-chloro-1H-benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl...","","COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)Cl","IWCZCUTVJDICGF-UHFFFAOYSA-N","155806870",NA,"PDBC08987","766332","Present"
-"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2,4-dichlorophenyl)-2-hydroxyethanone oxime","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2,4-dichlorophenyl)-2-hydroxyethanone oxime","","C1=CC(=C(C=C1Cl)Cl)C(C(=NO)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","FTSMJSLJKOUTRA-LPYMAVHISA-N","135499171",NA,"PDBC08988","641816","Present"
-"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2-furyl)-2-hydroxyethanone","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2-furyl)-2-hydroxyethanone","","C1=COC(=C1)C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","NLRKLVGUTXNYLN-UHFFFAOYSA-N","372012",NA,"PDBC08989","646828","Present"
-"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(3,4-dichlorophenyl)-2-hydroxyethanone hydrazone","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(3,4-dichlorophenyl)-2-hydroxyethanone hydrazone","","C1=CC(=C(C=C1C(C(=NN)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O)Cl)Cl","UTKNKVOJGQJRON-YDZHTSKRSA-N","135499263",NA,"PDBC08990","647581","Present"
-"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(3,4-dichlorophenyl)-2-hydroxyethanone phenylhydrazone","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(3,4-dichlorophenyl)-2-hydroxyethanone phenylhydrazone","","C1=CC=C(C=C1)NN=C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(C4=CC(=C(C=C4)Cl)Cl)O","PMLAZFNALDRGOH-VUTHCHCSSA-N","135499267",NA,"PDBC08991","647586","Present"
-"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(4-(2-(6-chloro-3-hydroxy-2-quinoxalinyl)-1-hydroxy-2-propenyl)phenyl)-2-hydroxyethanone","","","","","","","","","","","","","","","","","","","","7-Chloro-3-[3-[4-[2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-1-hydroxy-2-oxoethyl]phenyl]-3-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one","","C=C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(C3=CC=C(C=C3)C(C(=O)C4=NC5=C(C=C(C=C5)Cl)NC4=O)O)O","BQTSHKGFVYSUCO-UHFFFAOYSA-N","369723",NA,"PDBC08992","641818","Present"
-"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(3-(hydroxy(oxido)amino)phenyl)ethanone oxime","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethanone oxime","","C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=NO)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","SVSIEPUBEGWJQC-DEDYPNTBSA-N","135499201",NA,"PDBC08993","644728","Present"
-"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(4-(hydroxy(oxido)amino)phenyl)ethanone oxime","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-(4-nitrophenyl)ethanone oxime","","C1=CC(=CC=C1C(C(=NO)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O)[N+](=O)[O-]","BUNZELLKAVADAP-DEDYPNTBSA-N","135499245",NA,"PDBC08994","646830","Present"
-"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(4-methoxyphenyl)ethanone hydrazone","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(4-methoxyphenyl)ethanone hydrazone","","COC1=CC=C(C=C1)C(C(=NN)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","PTQUNNORZBNADX-HYARGMPZSA-N","135499272",NA,"PDBC08995","647600","Present"
-"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-phenylethanone","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-phenylethanone","","C1=CC=C(C=C1)C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","LHJMXYKCYVXKAC-UHFFFAOYSA-N","369641",NA,"PDBC08996","641596","Present"
-"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-3-methyl-4-phenyl-3-buten-1-one","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-3-methyl-4-phenyl-3-buten-1-one","","CC(=CC1=CC=CC=C1)C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","HSSPPEBUFOKZNP-PKNBQFBNSA-N","5466709",NA,"PDBC08997","641598","Present"
-"1-(6-Chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethanone","","","","","","","","","","","","","","","","","","","","7-Chloro-3-[hydroxy(3-nitrophenyl)acetyl]quinoxalin-2(1H)-one","","C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","DAGRAJRLTRMOGW-UHFFFAOYSA-N","370079",NA,"PDBC08998","642638","Present"
-"1-(6-Chloro-8,8,9,9-tetrafluoro-1-oxa-4-thiaspiro[4.4]non-6-en-7-yl)-4-methylpiperazine","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-8,8,9,9-tetrafluoro-1-oxa-4-thiaspiro[4.4]non-6-en-7-yl)-4-methylpiperazine","","CN1CCN(CC1)C2=C(C3(C(C2(F)F)(F)F)OCCS3)Cl","MHRMAHXWWOASEL-UHFFFAOYSA-N","388034",NA,"PDBC08999","682464","Present"
-"1-(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)ethanone","","CC(=O)C1=C2CCCC3=C(C=C(C(=C32)O1)OC)Cl","AMXADDHMSMFSKI-UHFFFAOYSA-N","361581",NA,"PDBC09000","624762","Present"
-"1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)-2-[3-(dimethylamino)propylamino]ethanol","","","","","","","","","","","","","","","","","","","","1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)-2-[3-(dimethylamino)propylamino]ethanol","","CCCCCCCCCCOC1C2C(OC1C(CNCCCN(C)C)O)OC3(O2)CCCCC3","UZGBOUMQJONBMI-UHFFFAOYSA-N","380658",NA,"PDBC09001","666346","Present"
-"1-(6-Ethoxy-6H-quinolino[3,4-b]quinoxalin-5-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(6-Ethoxy-6H-quinolino[3,4-b]quinoxalin-5-yl)ethanone","","CCOC1C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4N1C(=O)C","XNDVILKXIRIEPC-UHFFFAOYSA-N","360054",NA,"PDBC09002","621852","Present"
-"1-(6-Fluoro-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine","","","","","","","","","","","","","","","","","","","","1-(6-fluoro-1H-benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl...","","COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)F","MVRNDEWDXKBSHJ-UHFFFAOYSA-N","155813090",NA,"PDBC09003","766325","Present"
-"1-(6-Fluoro-1H-benzimidazol-2-yl)-3-phenylimidazo[1,5-a]pyridine","","","","","","","","","","","","","","","","","","","","1-(6-fluoro-1H-benzo[d]imidazol-2-yl)-3-phenylimidazo[1,...","","C1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)F","AAHRUGAMRVQPOV-UHFFFAOYSA-N","155808295",NA,"PDBC09004","766340","Present"
-"1-(6-Hydroxy-4-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","3-Acetyl-6-hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine","","CC(=O)C1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O","RTDFHOPDAYJLII-UHFFFAOYSA-N","403993",NA,"PDBC09005","720028","Present"
-"1-(6-Methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine","","","","","","","","","","","","","","","","","","","","6-methoxy-2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-...","","COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)OC","KHVHWUWRNUXTIB-UHFFFAOYSA-N","155810047",NA,"PDBC09006","766330","Present"
-"1-(6-Methoxynaphthalen-2-yl)-3-(1,2,4-triazol-4-yl)urea","","","","","","","","","","","","","","","","","","","","1-(6-Methoxy-2-naphthyl)-3-(1,2,4-triazol-4-yl)urea","","COC1=CC2=C(C=C1)C=C(C=C2)NC(=O)NN3C=NN=C3","RSPNVFARXUVMHP-UHFFFAOYSA-N","393653",NA,"PDBC09007","695918","Present"
-"1-(6-Methoxypyridazin-3-yl)-3-(4-methylphenyl)sulfonylurea","","","","","","","","","","","","","","","","","","","","1-(6-Methoxypyridazin-3-yl)-3-(4-methylphenyl)sulfonylurea","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NN=C(C=C2)OC","XSKMTTMRVZBNSH-UHFFFAOYSA-N","359885",NA,"PDBC09008","621500","Present"
-"1-(6-Methoxyquinolin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,7-dione","","","","","","","","","","","","","","","","","","","","1-(6-Methoxyquinolin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,7-dione","","COC1=CC2=C(C=CN=C2C=C1)C3C4CC(=O)CCN4C(=O)O3","RXOJZJOWFPUODE-UHFFFAOYSA-N","359585",NA,"PDBC09009","620579","Present"
-"1-(6-Methyl-1H-benzoimidazole-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine","","","","","","","","","","","","","","","","","","","","3-(4-methoxyphenyl)-1-(6-methyl-1H-benzo[d]imidazol-2-yl...","","CC1=CC2=C(C=C1)N=C(N2)C3=C4C=CC=CN4C(=N3)C5=CC=C(C=C5)OC","SPBXIBVJMFCHFD-UHFFFAOYSA-N","101882094",NA,"PDBC09010","766338","Present"
-"1-(6-Methyl-2-pyridyl)-3-(4-nitrophenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(6-Methyl-2-pyridyl)-3-(4-nitrophenyl)thiourea","","CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]","XFINBMJXGVWKFS-UHFFFAOYSA-N","3005388",NA,"PDBC09011","695335","Present"
-"1-(6-Methyl-5-oxo-2H-pyran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Trifluoromethyl-1-(2,3,6-trideoxy-.alpha.-L-glycero-he...","","CC1C(=O)C=CC(O1)N2C=C(C(=O)NC2=O)C(F)(F)F","FGLZZIWQINLZJG-UHFFFAOYSA-N","367924",NA,"PDBC09012","638122","Present"
-"1-(6-Methylpyridin-2-yl)ethanol","","","","","","","","","","","","","","","","","","","","AS-44864","","CC1=NC(=CC=C1)C(C)O","CHPLROKJXHCPLY-UHFFFAOYSA-N","353138",NA,"PDBC09013","600388","Present"
-"1-(6-Nitrobenzotriazol-1-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(6-Nitrobenzotriazol-1-yl)ethanone","","CC(=O)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1","XMMVCGPEALKLGY-UHFFFAOYSA-N","365033",NA,"PDBC09014","631968","Present"
-"1-(6-Piperidin-1-ium-1-ylidene-9-thiophen-2-ylxanthen-3-yl)piperidine;chloride","","","","","","","","","","","","","","","","","","","","1-(6-Piperidin-1-ium-1-ylidene-9-thiophen-2-ylxanthen-3-yl)piperidine;chloride","","C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=CS6.[Cl-]","FWMCYVIWSSYEFA-UHFFFAOYSA-M","25140221",NA,"PDBC09015","751817","Present"
-"1-(7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-[7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,...","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","LRLXUQCQYHLPOQ-UHFFFAOYSA-N","146604",NA,"PDBC09016","375501","Present"
-"1-(7-Chloro-1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-2,3-dihydroxypropyl hexopyranoside","","","","","","","","","","","","","","","","","","","","2-[1-(7-Chloro-1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","C1=CC=C(C=C1)N2C3=NC4=C(C=CC(=C4)Cl)N=C3C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O","YOZITTYNMPGMHE-UHFFFAOYSA-N","365572",NA,"PDBC09017","633367","Present"
-"1-(7-Chloro-2-methyl-4-quinolyl)-5-phenyl-triazole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(7-Chloro-2-methyl-4-quinolyl)-5-phenyl-triazole-4-carboxylic acid","","CC1=CC(=C2C=CC(=CC2=N1)Cl)N3C(=C(N=N3)C(=O)O)C4=CC=CC=C4","GJKZPRPNDKINJE-UHFFFAOYSA-N","387517",NA,"PDBC09018","681328","Present"
-"1-(7-Chloronaphthalen-1-yl)-2-(dihexylamino)ethan-1-ol--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","1-(7-Chloronaphthalen-1-yl)-2-(dihexylamino)ethanol;hydrochloride","","CCCCCCN(CCCCCC)CC(C1=CC=CC2=C1C=C(C=C2)Cl)O.Cl","MMJFNCJHCYULOI-UHFFFAOYSA-N","24181635",NA,"PDBC09019","10586","Present"
-"1-(7-Fluoro-3-methyl-quinoxalin-2-yl)-3-(3,5-trimethoxy-phenyl)-propenone","","","","","","","","","","","","","","","","","","","","1-(7-Fluoro-3-methyl-quinoxalin-2-yl)-3-(3,4,5-trimethox...","","CC1=C(N=C2C=C(C=CC2=N1)F)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","LJERGNRAKGRFBU-VMPITWQZSA-N","45029310",NA,"PDBC09020","746087","Present"
-"1-(7-Methoxy-1-methylene-8-nitro-4,9-dihydro-3H-pyrido[3,4-b]indol-2-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(7-Methoxy-1-methylene-8-nitro-4,9-dihydro-3H-pyrido[3,4-b]indol-2-yl)ethanone","","CC(=O)N1CCC2=C(C1=C)NC3=C2C=CC(=C3[N+](=O)[O-])OC","FNNNVWJBLDOSJD-UHFFFAOYSA-N","363624",NA,"PDBC09021","628653","Present"
-"1-(7-Methoxybenzofuran-4-yl)but-3-yn-2-ol","","","","","","","","","","","","","","","","","","","","1-(7-Methoxy-1-benzofuran-4-yl)but-3-yn-2-ol","","COC1=C2C(=C(C=C1)CC(C#C)O)C=CO2","BNTWGSRBOPPNOR-UHFFFAOYSA-N","387526",NA,"PDBC09022","681432","Present"
-"1-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=C(C=C(C=C5OC)OC)OC","KRINWZZUUKORDT-UHFFFAOYSA-N","380590",NA,"PDBC09023","666240","Present"
-"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine","","","","","","","","","","","","","","","","","","","","Hydrazine, 1-[7,8-dihydro-8-(3,4,5-trimethoxyphenyl)- 7-...","","CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","YFARKMXUKUVOFZ-UHFFFAOYSA-N","381385",NA,"PDBC09024","667925","Present"
-"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine","","","","","","","","","","","","","","","","","","","","1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine","","CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","QBHMXIRXGGQMKW-UHFFFAOYSA-N","380587",NA,"PDBC09025","666237","Present"
-"1-(7-Oxospiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-yl)-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","1-(7-Oxospiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-yl)-3-phenylthiourea","","C1=CC=C(C=C1)NC(=S)NC2=CSC3=NC(=O)C4(C5=CC=CC=C5C6=CC=CC=C64)NN23","XHXGHDSOXSSWPR-UHFFFAOYSA-N","3001568",NA,"PDBC09026","658733","Present"
-"1-(7-Oxospiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-yl)-3-prop-2-enylurea","","","","","","","","","","","","","","","","","","","","1-(7-Oxospiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-yl)-3-prop-2-enylurea","","C=CCNC(=O)NC1=CSC2=NC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)NN12","PHWLYQXNFXOVMZ-UHFFFAOYSA-N","377333",NA,"PDBC09027","658734","Present"
-"1-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine","","","","","","","","","","","","","","","","","","","","1-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine","","CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=CC6=C(C=C5)OCO6","BZKPASBEIZXLFA-UHFFFAOYSA-N","380571",NA,"PDBC09028","666221","Present"
-"1-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC6=C(C=C5)OCO6","HUHDVMDXIICRPL-UHFFFAOYSA-N","380582",NA,"PDBC09029","666232","Present"
-"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine","","","","","","","","","","","","","","","","","","","","1-(8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]...","","CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)OC","ZTDFKWAUUJWEMX-UHFFFAOYSA-N","381364",NA,"PDBC09030","667904","Present"
-"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine","","","","","","","","","","","","","","","","","","","","1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine","","CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=C(C(=CC=C5)OC)OC","IGAAMAVEJGCBND-UHFFFAOYSA-N","381369",NA,"PDBC09031","667909","Present"
-"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)OC","GWPIAAOPZQZVTR-UHFFFAOYSA-N","380568",NA,"PDBC09032","666218","Present"
-"1-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC=CC=C5OC","GUTQDDXXUDZPIR-UHFFFAOYSA-N","380576",NA,"PDBC09033","666226","Present"
-"1-(8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-(8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=CC=C5)OC","NRMLCSNFBPYZRW-UHFFFAOYSA-N","380579",NA,"PDBC09034","666229","Present"
-"1-(8-(4-Fluorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-(8-(4-Fluorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC=C(C=C5)F","WTOYXTZDCYEBQM-UHFFFAOYSA-N","380580",NA,"PDBC09035","666230","Present"
-"1-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine","","","","","","","","","","","","","","","","","","","","1-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine","","CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC=C(C=C5)OC","WFBVRMMXMLCJRR-UHFFFAOYSA-N","381370",NA,"PDBC09036","667910","Present"
-"1-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g][1]benzopyran, 7,8-dihydro-8- (4-metho...","","CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=CC=C(C=C5)OC","OFWNMZRXUNSPIH-UHFFFAOYSA-N","380585",NA,"PDBC09037","666235","Present"
-"1-(8-Hydroxy-7-iodo-5-quinolinyl)ethanone","","","","","","","","","","","","","","","","","","","","Ethanone, 1-(8-hydroxy-7-iodo-5-quinolinyl)-","","CC(=O)C1=CC(=C(C2=C1C=CC=N2)O)I","XHWRWDBCSAYROQ-UHFFFAOYSA-N","296032",NA,"PDBC09038","165810","Present"
-"1-(8b-Methyl-1,2-dihydrocyclopenta[b]indol-4-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(8b-Methyl-1,2-dihydrocyclopenta[b]indol-4-yl)ethanone","","CC(=O)N1C2=CCCC2(C3=CC=CC=C31)C","IJHRIBAHRJZPQO-UHFFFAOYSA-N","386070",NA,"PDBC09039","677641","Present"
-"1-(9-Acridinyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","1-(9-Acridinyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N4C=C(C(=O)NC4=O)C#N","QQLHXMPAXNMATQ-UHFFFAOYSA-N","368118",NA,"PDBC09040","638460","Present"
-"1-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)ethanone","","","","","","","","","","","","","","","","","","","","STL301018","","CC(=O)N1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31","ALUAZCPDPCHWRG-UHFFFAOYSA-N","394874",NA,"PDBC09041","698965","Present"
-"1-(9-Bromophenanthren-3-yl)-2-(didecylamino)ethan-1-one--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","1-(9-Bromophenanthren-3-yl)-2-(didecylamino)ethanone;hydrochloride","","CCCCCCCCCCN(CCCCCCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.Cl","GKDGHPMIJAZJRO-UHFFFAOYSA-N","53422189",NA,"PDBC09042","13249","Present"
-"1-(9-Bromophenanthren-3-yl)-3-(dihexylamino)propan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(9-Bromophenanthren-3-yl)-3-(dihexylamino)propan-1-one;hydrochloride","","CCCCCCN(CCCCCC)CCC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.Cl","JEXHYFIUWOOPLM-UHFFFAOYSA-N","54605561",NA,"PDBC09043","44489","Present"
-"1-(9-Chlorophenanthren-3-yl)-2-(dibutylamino)ethanone;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(9-Chlorophenanthren-3-yl)-2-(dibutylamino)ethanone;hydrochloride","","CCCCN(CCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl","QBJURESDWTXNJW-UHFFFAOYSA-N","24185804",NA,"PDBC09044","43493","Present"
-"1-(9-Ethylcarbazol-3-yl)-3-(2-methyl-4-nitrophenyl)urea","","","","","","","","","","","","","","","","","","","","1-(9-Ethylcarbazol-3-yl)-3-(2-methyl-4-nitrophenyl)urea","","CCN1C2=C(C=C(C=C2)NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C41","BRZZHGSWUIVSIU-UHFFFAOYSA-N","330820",NA,"PDBC09045","320218","Present"
-"1-(9-Hydroxy-9-(hydroxymethyl)-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-[9-Hydroxy-9-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione","","CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=O)NC3=O)(CO)O)O[Si](O1)(C(C)C)C(C)C)C(C)C","AHROWOLVZJDNSE-UHFFFAOYSA-N","387258",NA,"PDBC09046","680839","Present"
-"1-(9-Methoxy-11,12-dihydro-6H-indolo[1,2-b][2]benzazepin-13-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-(9-Methoxy-11,12-dihydro-6H-indolo[1,2-b][2]benzazepin-13-yl)ethanone","","CC(=O)C1=C2CCC3=C(CN2C4=CC=CC=C41)C=CC(=C3)OC","YPXVIVXDUHGZQF-UHFFFAOYSA-N","365697",NA,"PDBC09047","633551","Present"
-"1-(Acetylamino)-2-phenylethylcarbamic acid","","","","","","","","","","","","","","","","","","","","(1-acetamido-2-phenyl-ethyl)carbamic acid","","CC(=O)NC(CC1=CC=CC=C1)NC(=O)O","UKMRWGKDVBSECZ-UHFFFAOYSA-N","381467",NA,"PDBC09048","668054","Present"
-"1-(Acetyloxy)-2-(2-(1-(acetyloxy)-1H-benzimidazol-2-yl)phenyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","1-(Acetyloxy)-2-(2-(1-(acetyloxy)-1H-benzimidazol-2-yl)phenyl)-1H-benzimidazole","","CC(=O)ON1C2=CC=CC=C2N=C1C3=CC=CC=C3C4=NC5=CC=CC=C5N4OC(=O)C","BNCYAPIJYVVECD-UHFFFAOYSA-N","355531",NA,"PDBC09049","609356","Present"
-"1-(Acetyloxy)-9-(((aminocarbonyl)oxy)methyl)-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-yl acetate","","","","","","","","","","","","","","","","","","","","1H-Pyrrolo[1,2-a]indole-5,8-dione, 1,2-bis(acetyloxy)-9-...","","CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)OC(=O)C)OC(=O)C)OC","MRHZEXIWSNIANF-UHFFFAOYSA-N","496347",NA,"PDBC09050","686513","Present"
-"1-(Adamantane-1-carbonylamino)-3-(4-chlorophenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(Adamantane-1-carbonylamino)-3-(4-chlorophenyl)thiourea","","C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)NC4=CC=C(C=C4)Cl","DMVXCEBKPSNZAK-UHFFFAOYSA-N","3004970",NA,"PDBC09051","665948","Present"
-"1-(Adamantane-1-carbonylamino)-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","STL508685","","C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)NC4=CC=CC=C4","FHEDTWXEHBPTNW-UHFFFAOYSA-N","3004969",NA,"PDBC09052","665947","Present"
-"1-(Allyloxymethyl)uracil","","","","","","","","","","","","","","","","","","","","LS-135408","","C=CCOCN1C=CC(=O)NC1=O","QWZTZUYUCDFXJV-UHFFFAOYSA-N","376599",NA,"PDBC09053","657610","Present"
-"1-(Anthracen-9-ylmethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline","","","","","","","","","","","","","","","","","","","","1-(Anthracen-9-ylmethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline","","CN1CCC2=CC(=C(C=C2C1CC3=C4C=CC=CC4=CC5=CC=CC=C53)OC)OC","PTMPOMSDCIQQOY-UHFFFAOYSA-N","361532",NA,"PDBC09054","624660","Present"
-"1-(Aziridin-1-yl)-N-[4-[[4-[[1-(aziridin-1-yl)-2,2-diphenylethylidene]amino]phenyl]methyl]phenyl]-2,2-diphenylethanimine","","","","","","","","","","","","","","","","","","","","1-(Aziridin-1-yl)-N-[4-[[4-[[1-(aziridin-1-yl)-2,2-diphenylethylidene]amino]phenyl]methyl]phenyl]-2,2-diphenylethanimine","","C1CN1C(=NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=C(C(C4=CC=CC=C4)C5=CC=CC=C5)N6CC6)C(C7=CC=CC=C7)C8=CC=CC=C8","ZMQAGNTVNFAVCU-UHFFFAOYSA-N","230621",NA,"PDBC09055","25703","Present"
-"1-(Benzenesulfonyl)-1,3-diphenylpropan-2-one","","","","","","","","","","","","","","","","","","","","1-(Benzenesulfonyl)-1,3-diphenylpropan-2-one","","C1=CC=C(C=C1)CC(=O)C(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","WMQZVPBCSRYHLI-UHFFFAOYSA-N","357758",NA,"PDBC09056","617279","Present"
-"1-(Benzenesulfonyl)-1-diazo-hexane-2,5-dione","","","","","","","","","","","","","","","","","","","","1-Diazonio-5-oxo-1-(phenylsulfonyl)hex-1-en-2-olate","","CC(=O)CCC(=O)C(=[N+]=[N-])S(=O)(=O)C1=CC=CC=C1","BFWDPFYZRGQETC-UHFFFAOYSA-N","373297",NA,"PDBC09057","649448","Present"
-"1-(Benzenesulfonyl)-2-[1-(benzenesulfonyl)-3-methylindol-2-yl]-3-methylindole","","","","","","","","","","","","","","","","","","","","1-(Benzenesulfonyl)-2-[1-(benzenesulfonyl)-3-methylindol-2-yl]-3-methylindole","","CC1=C(N(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)C4=C(C5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)C","SVIILRQJTFIQNY-UHFFFAOYSA-N","396901",NA,"PDBC09058","704080","Present"
-"1-(Benzenesulfonyl)-3-[2-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]urea","","","","","","","","","","","","","","","","","","","","1-(Benzenesulfonyl)-3-[2-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-","","CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C5COC(O5)(C)C)OC(O4)(C)C)NC(=O)NS(=O)(=O)C6=CC=CC=C6)OC(O2)(C)C","KUYKQUHOYFQUND-UHFFFAOYSA-N","45028441",NA,"PDBC09059","742855","Present"
-"1-(Benzenesulfonyl)-3-[3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(Benzenesulfonyl)-3-[3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]urea","","CN1CCN(CC1)C(=O)C2=C(SC3=C2CCCCC3)NC(=O)NS(=O)(=O)C4=CC=CC=C4","XNVPJUQFDGTNMU-UHFFFAOYSA-N","24204390",NA,"PDBC09060","731661","Present"
-"1-(Benzenesulfonyl)-3-methyl-5-nitro-7-phenylmethoxyindole","","","","","","","","","","","","","","","","","","","","1-(Benzenesulfonyl)-7-benzyloxy-3-methyl-5-nitro-indole","","CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4","GHUZHMBTWSSKMB-UHFFFAOYSA-N","396968",NA,"PDBC09061","704205","Present"
-"1-(Benzenesulfonyl)-5-oxopyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-Oxo-1-(phenylsulfonyl)proline","","C1CC(=O)N(C1C(=O)O)S(=O)(=O)C2=CC=CC=C2","ZVZRSYRJNCFXSL-UHFFFAOYSA-N","361468",NA,"PDBC09062","624495","Present"
-"1-(Benzenesulfonyl)piperidine-4,4-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","DA-43180","","C1CN(CCC1(C(=O)O)C(=O)O)S(=O)(=O)C2=CC=CC=C2","IJLRCNPDSMJGPV-UHFFFAOYSA-N","257095",NA,"PDBC09063","85010","Present"
-"1-(Benzimidazol-1-yl)-2-phenothiazin-10-ylethanone","","","","","","","","","","","","","","","","","","","","1-(1H-Benzimidazol-1-yl)-2-(10H-phenothiazin-10-yl)ethanone","","C1=CC=C2C(=C1)N=CN2C(=O)CN3C4=CC=CC=C4SC5=CC=CC=C53","NOZDGQUDSJMKAI-UHFFFAOYSA-N","377186",NA,"PDBC09064","658413","Present"
-"1-(Benzimidazol-1-ylsulfonyl)-3-(1,3,4-thiadiazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","1-(Benzimidazol-1-ylsulfonyl)-3-(1,3,4-thiadiazol-2-yl)urea","","C1=CC=C2C(=C1)N=CN2S(=O)(=O)NC(=O)NC3=NN=CS3","LQQMRQUIJFMCNP-UHFFFAOYSA-N","397677",NA,"PDBC09065","706039","Present"
-"1-(Benzimidazol-1-ylsulfonyl)-3-(4-methyl-1,3-benzothiazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","1-(Benzimidazol-1-ylsulfonyl)-3-(4-methyl-1,3-benzothiazol-2-yl)urea","","CC1=C2C(=CC=C1)SC(=N2)NC(=O)NS(=O)(=O)N3C=NC4=CC=CC=C43","DIORWCKGVSTKSA-UHFFFAOYSA-N","397676",NA,"PDBC09066","706038","Present"
-"1-(Benzo[a]anthracen-7-ylmethyl)pyridin-1-ium;chloride","","","","","","","","","","","","","","","","","","","","NSC32149","","C1=CC=[N+](C=C1)CC2=C3C=CC4=CC=CC=C4C3=CC5=CC=CC=C52.[Cl-]","GLEYNLQDJNJMDW-UHFFFAOYSA-M","24183955",NA,"PDBC09067","32149","Present"
-"1-(Benzo[d]thiazol-2-yl)-3-methylindeno[1,2-c]pyrazol-4(1h)-one","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzothiazol-2-yl)-3-methylindeno[1,2-c]pyrazol-4(1H)-one","","CC1=NN(C2=C1C(=O)C3=CC=CC=C32)C4=NC5=CC=CC=C5S4","CKNNDPWDZPVTLL-UHFFFAOYSA-N","364985",NA,"PDBC09068","631886","Present"
-"1-(Benzothien-3'-yl)-3,4-dihydronaphthalene-2-acrylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","1-(Benzothien-3'-yl)-3,4-dihydronaphthalene-2-acrylic ac...","","CCOC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CSC4=CC=CC=C43","QLKWKJREQWEGIG-BUHFOSPRSA-N","24205538",NA,"PDBC09069","736122","Present"
-"1-(Benzoylamino)-2-phenylcyclopropanecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-(Benzoylamino)-2-phenylcyclopropanecarboxylic acid","","C1C(C1(C(=O)O)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3","HQCMVKMWULKIRR-UHFFFAOYSA-N","343111",NA,"PDBC09070","382098","Present"
-"1-(Benzoylamino)cyclopentanecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-(Benzoylamino)cyclopentanecarboxylic acid","","C1CCC(C1)(C(=O)O)NC(=O)C2=CC=CC=C2","DQPDOERYCCIMKH-UHFFFAOYSA-N","229300",NA,"PDBC09071","22854","Present"
-"1-(Benzyloxy)-2-(1-chlorovinyl)-3-methoxybenzene","","","","","","","","","","","","","","","","","","","","1-(Benzyloxy)-2-(1-chlorovinyl)-3-methoxybenzene","","COC1=C(C(=CC=C1)OCC2=CC=CC=C2)C(=C)Cl","LMPODJLSRFVFIG-UHFFFAOYSA-N","386349",NA,"PDBC09072","678141","Present"
-"1-(Benzyloxy)-3-(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-2-butanone","","","","","","","","","","","","","","","","","","","","1-(Benzyloxy)-3-(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-2-butanone","","CC(C(=O)COCC1=CC=CC=C1)P2(=O)N(CC(O2)(C)C)C(C)(C)C","YYOPTHXSDWHHKU-UHFFFAOYSA-N","395349",NA,"PDBC09073","699831","Present"
-"1-(Benzyloxy)-3-(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-7,11-dimethyl-6,10-dodecadien-2-one","","","","","","","","","","","","","","","","","","","","(6E)-3-(3-Tert-butyl-5,5-dimethyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-yl)-7,11-dimethyl-1-phenylmethoxydodeca-6,10-dien-2-one","","CC(=CCCC(=CCCC(C(=O)COCC1=CC=CC=C1)P2(=O)N(CC(O2)(C)C)C(C)(C)C)C)C","RJFCDHIQJCINTJ-LFVJCYFKSA-N","5470346",NA,"PDBC09074","699832","Present"
-"1-(Benzyloxy)-4-chloro-2-nitrobenzene","","","","","","","","","","","","","","","","","","","","ARONIS010104","","C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]","NMMNCUOEMZBSLG-UHFFFAOYSA-N","361282",NA,"PDBC09075","624225","Present"
-"1-(Benzyloxymethyl)-5-(2-methylphenylamino)uracil","","","","","","","","","","","","","","","","","","","","1-(Benzyloxymethyl)-5-(2-methylphenylamino)uracil","","CC1=CC=CC=C1NC2=CN(C(=O)NC2=O)COCC3=CC=CC=C3","HHGQTVYUGUXXBU-UHFFFAOYSA-N","395050",NA,"PDBC09076","699238","Present"
-"1-(Benzyloxymethyl)-5-(3-methylphenylamino)uracil","","","","","","","","","","","","","","","","","","","","1-(Benzyloxymethyl)-5-(3-methylphenylamino)uracil","","CC1=CC(=CC=C1)NC2=CN(C(=O)NC2=O)COCC3=CC=CC=C3","GVFONDBVSRLRTK-UHFFFAOYSA-N","395051",NA,"PDBC09077","699239","Present"
-"1-(Benzyloxymethyl)-5-(4-bromophenylamino)uracil","","","","","","","","","","","","","","","","","","","","1-(Benzyloxymethyl)-5-(4-bromophenylamino)uracil","","C1=CC=C(C=C1)COCN2C=C(C(=O)NC2=O)NC3=CC=C(C=C3)Br","IIYUEPBHFDWZFO-UHFFFAOYSA-N","395053",NA,"PDBC09078","699241","Present"
-"1-(Benzyloxymethyl)-5-(4-methylphenylamino)uracil","","","","","","","","","","","","","","","","","","","","1-(Benzyloxymethyl)-5-(4-methylphenylamino)uracil","","CC1=CC=C(C=C1)NC2=CN(C(=O)NC2=O)COCC3=CC=CC=C3","BHGBOSLEKPEYDK-UHFFFAOYSA-N","395052",NA,"PDBC09079","699240","Present"
-"1-(Benzyloxymethyl)-6-bromo-quinazoline-2,4-dione","","","","","","","","","","","","","","","","","","","","1-Benzyloxymethyl-6-bromo-2,4(1H,3H)-quinazolinedione","","C1=CC=C(C=C1)COCN2C3=C(C=C(C=C3)Br)C(=O)NC2=O","ACVLDSCHLOSGAO-UHFFFAOYSA-N","390544",NA,"PDBC09080","688032","Present"
-"1-(Benzyloxymethyl)-6-nitro-quinazoline-2,4-dione","","","","","","","","","","","","","","","","","","","","1-Benzyloxymethyl-6-nitro-2,4(1H,3H)-quinazolinedione","","C1=CC=C(C=C1)COCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC2=O","RXRSHLAXLKYLQE-UHFFFAOYSA-N","390547",NA,"PDBC09081","688035","Present"
-"1-(Benzyloxymethyl)thieno[3,2-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-(Benzyloxymethyl)-thieno[3,2-d]pyrimidine-2,4-dione","","C1=CC=C(C=C1)COCN2C3=C(C(=O)NC2=O)SC=C3","UKTMNXQKYCHWKD-UHFFFAOYSA-N","387008",NA,"PDBC09082","680324","Present"
-"1-(Bis(4-methoxyphenyl)methyl)-5-oxo-pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(bis(4-methoxyphenyl)methyl)-5-oxo-pyrrolidine-2-carbo...","","COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3C(CCC3=O)C(=O)O","GHKSNPQGDVIVNH-UHFFFAOYSA-N","384213",NA,"PDBC09083","673618","Present"
-"1-(Bis(acetyloxy)amino)-4-methylbenzene","","","","","","","","","","","","","","","","","","","","1-(Bis(acetyloxy)amino)-4-methylbenzene","","CC1=CC=C(C=C1)N(OC(=O)C)OC(=O)C","RXNWDQGBYNEWHQ-UHFFFAOYSA-N","392912",NA,"PDBC09084","694095","Present"
-"1-(Bis(benzylthio)methyl)-2-chlorobenzene","","","","","","","","","","","","","","","","","","","","1-(Bis(benzylthio)methyl)-2-chlorobenzene","","C1=CC=C(C=C1)CSC(C2=CC=CC=C2Cl)SCC3=CC=CC=C3","ZGCRQUHDTJZIOR-UHFFFAOYSA-N","377591",NA,"PDBC09085","659158","Present"
-"1-(Bis(benzylthio)methyl)-4-chlorobenzene","","","","","","","","","","","","","","","","","","","","1-(Bis(benzylthio)methyl)-4-chlorobenzene","","C1=CC=C(C=C1)CSC(C2=CC=C(C=C2)Cl)SCC3=CC=CC=C3","PBLDEPWBRALBPE-UHFFFAOYSA-N","377594",NA,"PDBC09086","659165","Present"
-"1-(Bis(benzylthio)methyl)naphthalene","","","","","","","","","","","","","","","","","","","","1-(Bis(benzylthio)methyl)naphthalene","","C1=CC=C(C=C1)CSC(C2=CC=CC3=CC=CC=C32)SCC4=CC=CC=C4","DLMKPGODGSFRPE-UHFFFAOYSA-N","379226",NA,"PDBC09087","663640","Present"
-"1-(Bis(phenylthio)methyl)cycloheptanol","","","","","","","","","","","","","","","","","","","","1-(Bis(phenylthio)methyl)cycloheptanol","","C1CCCC(CC1)(C(SC2=CC=CC=C2)SC3=CC=CC=C3)O","PTKNMXCKRDXEJF-UHFFFAOYSA-N","361771",NA,"PDBC09088","625037","Present"
-"1-(Bromo(1-naphthyl)methyl)naphthalene","","","","","","","","","","","","","","","","","","","","J3.656.556J","","C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)Br","JTXUIHPHBAGZMF-UHFFFAOYSA-N","231626",NA,"PDBC09089","28081","Present"
-"1-(Bromo(carboxy)methyl)-4-methylcyclohexanecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-[Bromo(carboxy)methyl]-4-methylcyclohexanecarboxylic acid","","CC1CCC(CC1)(C(C(=O)O)Br)C(=O)O","BDAGAQZEGHYUJP-UHFFFAOYSA-N","232059",NA,"PDBC09090","29096","Present"
-"1-(Butoxymethyl)quinazoline-2,4-dione","","","","","","","","","","","","","","","","","","","","1-Butyloxymethyl-2,4(1H,3H)-quinazolinedione","","CCCCOCN1C2=CC=CC=C2C(=O)NC1=O","KZSYLFYTNYXBCE-UHFFFAOYSA-N","390545",NA,"PDBC09091","688033","Present"
-"1-(Carbamoylamino)propan-2-ylurea","","","","","","","","","","","","","","","","","","","","1-(Carbamoylamino)propan-2-ylurea","","CC(CNC(=O)N)NC(=O)N","JTZUXKIKHMIVSD-UHFFFAOYSA-N","223901",NA,"PDBC09092","11994","Present"
-"1-(Chloroacetyl)-4-pyridin-2-ylpiperazine","","","","","","","","","","","","","","","","","","","","STK878618","","C1CN(CCN1C2=CC=CC=N2)C(=O)CCl","UMKZSIOUSYFQDQ-UHFFFAOYSA-N","357000",NA,"PDBC09093","614569","Present"
-"1-(Chloromethyl)-2,5-dimethoxy-4-phenylbenzene","","","","","","","","","","","","","","","","","","","","1-(Chloromethyl)-2,5-dimethoxy-4-phenylbenzene","","COC1=CC(=C(C=C1CCl)OC)C2=CC=CC=C2","RVXLAYZHEAUBJW-UHFFFAOYSA-N","358345",NA,"PDBC09094","618310","Present"
-"1-(Cyclohexylamino)-8-methyl-4-phenyl-2,4,8-triazaspiro[4.5]dec-1-ene-3-thione","","","","","","","","","","","","","","","","","","","","1-(Cyclohexylamino)-8-methyl-4-phenyl-2,4,8-triazaspiro[4.5]dec-1-ene-3-thione","","CN1CCC2(CC1)C(=NC3CCCCC3)NC(=S)N2C4=CC=CC=C4","JUMCMUOPECOMGQ-UHFFFAOYSA-N","135409197",NA,"PDBC09095","665295","Present"
-"1-(Di[1,1'-biphenyl]-4-yl(hydroxy)methyl)cyclohexanol","","","","","","","","","","","","","","","","","","","","1-(Di[1,1'-biphenyl]-4-yl(hydroxy)methyl)cyclohexanol","","C1CCC(CC1)(C(C2=CC=C(C=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)C5=CC=CC=C5)O)O","GEWKQHWFVIONJR-UHFFFAOYSA-N","336494",NA,"PDBC09096","351123","Present"
-"1-(Diaminomethylidene)-2-(4-sulfamoylphenyl)guanidine","","","","","","","","","","","","","","","","","","","","4-(N'-Carbamimidoylcarbamimidamido)benzenesulfonamide","","C1=CC(=CC=C1N=C(N)N=C(N)N)S(=O)(=O)N","BRYMGHBYJDJPIS-UHFFFAOYSA-N","276767",NA,"PDBC09097","125201","Present"
-"1-(Diaminomethylidene)-2-(6-methoxyquinolin-8-yl)guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(Diaminomethylidene)-2-(6-methoxyquinolin-8-yl)guanidine;hydrochloride","","COC1=CC(=C2C(=C1)C=CC=N2)N=C(N)N=C(N)N.Cl","WYKCYKWPVRSRBH-UHFFFAOYSA-N","5351613",NA,"PDBC09098","3589","Present"
-"1-(Diaminomethylidene)-2-(furan-2-ylmethyl)guanidine","","","","","","","","","","","","","","","","","","","","NSC756972","","C1=COC(=C1)CN=C(N)N=C(N)N","WXIHLCZQQGEOKH-UHFFFAOYSA-N","21230",NA,"PDBC09099","756972","Present"
-"1-(Diaminomethylidene)-2-phenanthren-9-ylguanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC35635","","C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)N=C(N)N=C(N)N.Cl","HAEJSTYASZPEMI-UHFFFAOYSA-N","54605358",NA,"PDBC09100","35635","Present"
-"1-(Diaminomethylidene)-2-pyrazin-2-ylguanidine","","","","","","","","","","","","","","","","","","","","1-(Diaminomethylidene)-2-pyrazin-2-ylguanidine","","C1=CN=C(C=N1)N=C(N)N=C(N)N","XTMOGLAHOFMQNM-UHFFFAOYSA-N","276760",NA,"PDBC09101","125190","Present"
-"1-(Dibenzylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethylamine","","","","","","","","","","","","","","","","","","","","1-(Dibenzylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethylamine","","C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)N","HUTZJVGZWFKIQQ-UHFFFAOYSA-N","382499",NA,"PDBC09102","670105","Present"
-"1-(Dibutoxyphosphoryl)proline","","","","","","","","","","","","","","","","","","","","1-(Dibutoxyphosphoryl)proline","","CCCCOP(=O)(N1CCCC1C(=O)O)OCCCC","AZOUZRQKKVKOFZ-UHFFFAOYSA-N","365766",NA,"PDBC09103","633809","Present"
-"1-(Diethoxyphosphorylmethyl)-1,4,7-triazonane","","","","","","","","","","","","","","","","","","","","Diethyl 1,4,7-triazonan-1-ylmethylphosphonate","","CCOP(=O)(CN1CCNCCNCC1)OCC","YHTMPZVZQOGMPB-UHFFFAOYSA-N","393904",NA,"PDBC09104","696865","Present"
-"1-(Diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9-YL)amino]propan-2-OL monohydrochloride","","","","","","","","","","","","","","","","","","","","wln: t c666 bnj eo1 fo1 im1yq1n2&2 mnw &gh 2","","CCN(CC)CC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O.Cl","YDEWUVKTIHHCKK-UHFFFAOYSA-N","3020289",NA,"PDBC09105","13003","Present"
-"1-(Dimethylamino)-2-(dimethylsulfamoylamino)ethane;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC172821","","CN(C)CCNS(=O)(=O)N(C)C.Cl","RIDWLZHBFAPWFL-UHFFFAOYSA-N","24194765",NA,"PDBC09106","172821","Present"
-"1-(Dimethylamino)-4-methyl-4H-pyrido[3,4-g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","Pyrido[3,4-g]quinoline-5,10-dione, 1,4-dihydro- 1-(dimet...","","CC1C=CN(C2=C1C(=O)C3=C(C2=O)C=CN=C3)N(C)C","PCSMOWAHBVADCZ-UHFFFAOYSA-N","388892",NA,"PDBC09107","684118","Present"
-"1-(Dimethylamino)-4-methyl-6-oxopiperidine-2,2,3,3-tetracarbonitrile","","","","","","","","","","","","","","","","","","","","Piperidine-2,2,3,3-tetracarbonitrile, 1-(dimethylamino)-...","","CC1CC(=O)N(C(C1(C#N)C#N)(C#N)C#N)N(C)C","YCKSWHYIGGXBDZ-UHFFFAOYSA-N","387777",NA,"PDBC09108","681850","Present"
-"1-(Dimethylamino)-5-imino-4-methyl-2,7-dioxotetrahydro-1H-pyrrolo[3,4-b]pyridine-4a,7a(2H,5H)-dicarbonitrile","","","","","","","","","","","","","","","","","","","","1-(Dimethylamino)-5-imino-4-methyl-2,7-dioxo-3,4-dihydropyrrolo[3,4-b]pyridine-4a,7a-dicarbonitrile","","CC1CC(=O)N(C2(C1(C(=NC2=O)N)C#N)C#N)N(C)C","ZFPODCJDWBJMNQ-UHFFFAOYSA-N","387782",NA,"PDBC09109","681855","Present"
-"1-(Dimethylamino)-5-imino-7,7-dimethoxy-4-methyl-2-oxotetrahydro-1H-pyrrolo[3,4-b]pyridine-4a,7a(2H,5H)-dicarbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-1-(dimethylamino)-7,7-dimethoxy-4-methyl-2-oxo-3,4-dihydropyrrolo[3,4-b]pyridine-4a,7a-dicarbonitrile","","CC1CC(=O)N(C2(C1(C(=NC2(OC)OC)N)C#N)C#N)N(C)C","VAHNAIQULDUFHA-UHFFFAOYSA-N","387778",NA,"PDBC09110","681851","Present"
-"1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethylamine","","","","","","","","","","","","","","","","","","","","1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethylamine","","C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)N","KHIQYIPKDNBPCT-UHFFFAOYSA-N","382498",NA,"PDBC09111","670104","Present"
-"1-(Ethoxycarbonylmethyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline","","","","","","","","","","","","","","","","","","","","1-(Ethoxycarbonylmethyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline","","CCOC(=O)CC1=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4","RTGLKNHGGAQFGQ-UHFFFAOYSA-N","399106",NA,"PDBC09112","709522","Present"
-"1-(Ethylthio)-3-((2-(ethylthio)ethyl)thio)propane","","","","","","","","","","","","","","","","","","","","1-(Ethylthio)-3-((2-(ethylthio)ethyl)thio)propane","","CCSCCCSCCSCC","ACAPRVBOGFLZJR-UHFFFAOYSA-N","373742",NA,"PDBC09113","650641","Present"
-"1-(Fluoromethyl)-1-methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(Fluoromethyl)-1-methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","CC1(N2C(=NC3=CC=CC=C32)CS1)CF","FTUMZDSGDPCRTF-UHFFFAOYSA-N","383937",NA,"PDBC09114","672902","Present"
-"1-(Furan-2-yl)-3-(3-methyl-3-azoniabicyclo[3.2.2]nonan-3-yl)propan-1-one;iodide","","","","","","","","","","","","","","","","","","","","1-(Furan-2-yl)-3-(3-methyl-3-azoniabicyclo[3.2.2]nonan-3-yl)propan-1-one;iodide","","C[N+]1(CC2CCC(C1)CC2)CCC(=O)C3=CC=CO3.[I-]","RFHZUZINDBVKER-UHFFFAOYSA-M","5351923",NA,"PDBC09115","95490","Present"
-"1-(Furan-2-ylmethyl)-3-[4-[4-(furan-2-ylmethylcarbamoylamino)-2-methoxyphenyl]-3-methoxyphenyl]urea","","","","","","","","","","","","","","","","","","","","1-(Furan-2-ylmethyl)-3-[4-[4-(furan-2-ylmethylcarbamoylamino)-2-methoxyphenyl]-3-methoxyphenyl]urea","","COC1=C(C=CC(=C1)NC(=O)NCC2=CC=CO2)C3=C(C=C(C=C3)NC(=O)NCC4=CC=CO4)OC","GIFPLDMVYOENAC-UHFFFAOYSA-N","240061",NA,"PDBC09116","45940","Present"
-"1-(Hydroxy(oxido)amino)-7-methoxy-9-((3-(methylamino)propyl)amino)acridine","","","","","","","","","","","","","","","","","","","","1-(Hydroxy(oxido)amino)-7-methoxy-9-((3-(methylamino)propyl)amino)acridine","","CNCCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","JXRWAHJYIDKLGB-UHFFFAOYSA-N","384254",NA,"PDBC09117","673800","Present"
-"1-(Hydroxy(oxido)amino)-9-((3-(4-morpholinyl)propyl)amino)acridine methanesulfonate","","","","","","","","","","","","","","","","","","","","1-(Hydroxy(oxido)amino)-9-((3-(4-morpholinyl)propyl)amino)acridine methanesulfonate","","CS(=O)(=O)O.C1COCCN1CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-]","GUDAGJUXXXVEIS-UHFFFAOYSA-N","380952",NA,"PDBC09118","666736","Present"
-"1-(Hydroxyamino)-4-(4-methylanilino)-1H-naphthalen-2-one","","","","","","","","","","","","","","","","","","","","1-(Hydroxyamino)-4-(4-methylanilino)-1H-naphthalen-2-one","","CC1=CC=C(C=C1)NC2=CC(=O)C(C3=CC=CC=C32)NO","HYSNDMOITNEWGL-UHFFFAOYSA-N","376651",NA,"PDBC09119","657681","Present"
-"1-(Iminophenylmethyl)piperidine monohydrochloride","","","","","","","","","","","","","","","","","","","","NSC624722","","C1CCN(CC1)C(=N)C2=CC=CC=C2.Cl","IDHNQSOFRVMOKG-UHFFFAOYSA-N","361542",NA,"PDBC09120","624722","Present"
-"1-(Iodomethyl)-1-phenylphospholan-1-ium;iodide","","","","","","","","","","","","","","","","","","","","NSC616271","","C1CC[P+](C1)(CI)C2=CC=CC=C2.[I-]","LKRRSGCWQGJQIW-UHFFFAOYSA-M","357446",NA,"PDBC09121","616271","Present"
-"1-(Iodomethyl)-4-nitrobenzene","","","","","","","","","","","","","","","","","","","","Benzene, 1-(iodomethyl)-4-nitro- (9CI)","","C1=CC(=CC=C1CI)[N+](=O)[O-]","INKNHBKFSPIMKS-UHFFFAOYSA-N","76598",NA,"PDBC09122","401699","Present"
-"1-(Isopropoxy(2-oxo-4-phenyl-7,8-dihydro-2H,6H-1,5-dithiocin-3-yl)methylene)-3-phenyl-2-propenyl acetate","","","","","","","","","","","","","","","","","","","","[(1Z,3E)-1-[(7Z)-6-Oxo-8-phenyl-3,4-dihydro-2H-1,5-dithiocin-7-yl]-4-phenyl-1-propan-2-yloxybuta-1,3-dien-2-yl] acetate","","CC(C)OC(=C(C=CC1=CC=CC=C1)OC(=O)C)C2=C(SCCCSC2=O)C3=CC=CC=C3","UWMJYRJZPFKNII-ODCXACCNSA-N","5469263",NA,"PDBC09123","685037","Present"
-"1-(Isopropylthio)-5,6,7,8-tetrahydro-3-isoquinolinecarbonitrile","","","","","","","","","","","","","","","","","","","","1-Isopropylsulfanyl-5,6,7,8-tetrahydroisoquinoline-3-carbonitrile","","CC(C)SC1=C2CCCCC2=CC(=N1)C#N","BKSDQGVGMMDXRJ-UHFFFAOYSA-N","396185",NA,"PDBC09124","701733","Present"
-"1-(Methoxymethyl)-1,3-dimethylurea","","","","","","","","","","","","","","","","","","","","N-(Methoxymethyl)-N,N'-dimethylurea","","CNC(=O)N(C)COC","XUIVJNRXWOVWNB-UHFFFAOYSA-N","370394",NA,"PDBC09125","643489","Present"
-"1-(Methylamino)cyclopropane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","DA-30602","","CNC1(CC1)C(=O)O","ZCLBLSZZIRMCLZ-UHFFFAOYSA-N","386197",NA,"PDBC09126","677915","Present"
-"1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-5,6,7,8-tetrahydroisoquinoline-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine","","","","","","","","","","","","","","","","","","","","1-Methylsulfonyl-3-(1-methylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine","","CS(=O)(=O)C1=C2CCCCCC2=CC(=N1)C3=NC(=C4CCCCC4=C3)S(=O)(=O)C","UGDJADAZOSKABS-UHFFFAOYSA-N","397517",NA,"PDBC09127","705815","Present"
-"1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-6,7-dihydro-5H-2-pyrindine-3-yl]-5,6,7,8-tetrahydroisoquinoline","","","","","","","","","","","","","","","","","","","","1-Methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5,6,7,8-tetrahydroisoquinoline","","CS(=O)(=O)C1=C2CCCCC2=CC(=N1)C3=NC(=C4CCCC4=C3)S(=O)(=O)C","NEOZMSIJMYBJTJ-UHFFFAOYSA-N","397516",NA,"PDBC09128","705814","Present"
-"1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-6,7-dihydro-5H-2-pyrindine-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine","","","","","","","","","","","","","","","","","","","","1-Methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine","","CS(=O)(=O)C1=C2CCCCCC2=CC(=N1)C3=NC(=C4CCCC4=C3)S(=O)(=O)C","AJTSQQMDVGVWAK-UHFFFAOYSA-N","397521",NA,"PDBC09129","705819","Present"
-"1-(Methylsulfonylmethyldisulfanyl)ethane","","","","","","","","","","","","","","","","","","","","BEMDGXSOILVUJR-UHFFFAOYSA-N","","CCSSCS(=O)(=O)C","BEMDGXSOILVUJR-UHFFFAOYSA-N","401305",NA,"PDBC09130","714611","Present"
-"1-(Methylthio)-3-[3-(methylthio)-1,2,4-triazine-5-yl]-5,6,7,8-tetrahydroisoquinoline","","","","","","","","","","","","","","","","","","","","1-(Methylthio)-3-[3-(methylthio)-1,2,4-triazine-5-yl]-5,6,7,8-tetrahydroisoquinoline","","CSC1=C2CCCCC2=CC(=N1)C3=CN=NC(=N3)SC","HYBANKKOBPMHOA-UHFFFAOYSA-N","397513",NA,"PDBC09131","705811","Present"
-"1-(Methylthio)-3-[3-(methylthio)-1,2,4-triazine-5-yl]-6,7-dihydro-5H-2-pyrindine","","","","","","","","","","","","","","","","","","","","1-Methylsulfanyl-3-(3-methylsulfanyl-1,2,4-triazin-5-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine","","CSC1=C2CCCC2=CC(=N1)C3=CN=NC(=N3)SC","DTZBOGHULNJXNW-UHFFFAOYSA-N","397518",NA,"PDBC09132","705816","Present"
-"1-(Methylthio)-4,5-dihydro[1,2,4]triazolo[3,4-d][1,5]benzothiazepine","","","","","","","","","","","","","","","","","","","","1-(Methylthio)-4,5-dihydro[1,2,4]triazolo[3,4-d][1,5]benzothiazepine","","CSC1=NN=C2N1C3=CC=CC=C3SCC2","KINGPNKWXBFFNY-UHFFFAOYSA-N","375440",NA,"PDBC09133","655163","Present"
-"1-(N,N-dimethylcarbamimidoyl)-3-methyl-thiourea","","","","","","","","","","","","","","","","","","","","1-(N,N-dimethylcarbamimidoyl)-3-methyl-thiourea","","CNC(=S)N=C(N)N(C)C","OVBLWVMYMOBEEU-UHFFFAOYSA-N","9569884",NA,"PDBC09134","622694","Present"
-"1-(N-(4-Methyl-3-nitrophenyl)carbamoyl)piperidine","","","","","","","","","","","","","","","","","","","","1-(N-(4-Methyl-3-nitrophenyl)carbamoyl)piperidine","","CC1=C(C=C(C=C1)NC(=O)N2CCCCC2)[N+](=O)[O-]","LHYSWUILCXGFSG-UHFFFAOYSA-N","332784",NA,"PDBC09135","331972","Present"
-"1-(Naphthalen-2-yl)-2-(6-nitrobenzo[d]thiazol-2-ylthio)ethanone","","","","","","","","","","","","","","","","","","","","1-(Naphthalen-2-yl)-2-(6-nitrobenzo[d]thiazol-2-ylthio)e...","","C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]","JQKWSZUEWWONDL-UHFFFAOYSA-N","220852",NA,"PDBC09136","4292","Present"
-"1-(Naphthalen-2-yl)-9,10-dihydroanthracene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(naphthalen-2-yl)-9,10-dioxo-9,10-dihydroanthracene-2-...","","C1=CC=C2C=C(C=CC2=C1)C3=C(C=CC4=C3C(=O)C5=CC=CC=C5C4=O)C(=O)O","IPGCPQVGKGPJDW-UHFFFAOYSA-N","222760",NA,"PDBC09137","9608","Present"
-"1-(Naphthalen-2-ylmethyl)-3-[10-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]decyl]imidazol-1-ium","","","","","","","","","","","","","","","","","","","","1,1'-(decane-1,10-diyl)bis(3-(naphthalen-2-ylmethyl)imid...","","C1=CC=C2C=C(C=CC2=C1)C[N+]3=CN(C=C3)CCCCCCCCCCN4C=C[N+](=C4)CC5=CC6=CC=CC=C6C=C5","INMUNZAGBHPXNQ-UHFFFAOYSA-N","155805911",NA,"PDBC09138","788907","Present"
-"1-(Naphthalen-2-ylmethyl)-3-[12-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]dodecyl]imidazol-1-ium","","","","","","","","","","","","","","","","","","","","1,1'-(dodecane-1,12-diyl)bis(3-(naphthalen-2-ylmethyl)im...","","C1=CC=C2C=C(C=CC2=C1)C[N+]3=CN(C=C3)CCCCCCCCCCCCN4C=C[N+](=C4)CC5=CC6=CC=CC=C6C=C5","QVMPADBJEJCVPR-UHFFFAOYSA-N","155814813",NA,"PDBC09139","789766","Present"
-"1-(Naphthalen-2-ylmethyl)-4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]piperidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-(2-Naphthylmethyl)-4-[1-(2-naphthylmethyl)-4-piperidyl]piperidine hydrochloride","","C1CN(CCC1C2CCN(CC2)CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5.Cl","IJMDEGDLJQDMGI-UHFFFAOYSA-N","393913",NA,"PDBC09140","696885","Present"
-"1-(Nitromethyl)-3H-isoquinolin-4-one","","","","","","","","","","","","","","","","","","","","1-(Nitromethyl)-3H-isoquinolin-4-one","","C1C(=O)C2=CC=CC=C2C(=N1)C[N+](=O)[O-]","SCNJPAZUCVRFKQ-UHFFFAOYSA-N","360010",NA,"PDBC09141","621746","Present"
-"1-(Oxan-2-yl)-1H-1,2,3-benzotriazole","","","","","","","","","","","","","","","","","","","","1-(Oxan-2-yl)-1H-1,2,3-benzotriazole","","C1CCOC(C1)N2C3=CC=CC=C3N=N2","LEMXRUFANZFVFB-UHFFFAOYSA-N","388091",NA,"PDBC09142","682554","Present"
-"1-(Oxan-2-yl)benzimidazole","","","","","","","","","","","","","","","","","","","","QTXPGEFPJIMPQF-UHFFFAOYSA-N","","C1CCOC(C1)N2C=NC3=CC=CC=C32","QTXPGEFPJIMPQF-UHFFFAOYSA-N","388066",NA,"PDBC09143","682531","Present"
-"1-(Phenanthren-9-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC102728","","C1CC(N(C1)CC2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)O.Cl","FOBQZRRHQBDJAW-UHFFFAOYSA-N","24190198",NA,"PDBC09144","102728","Present"
-"1-(Phenylethynyl)-1,2-benziodazole-3-(1H)-one","","","","","","","","","","","","","","","","","","","","1-(Phenylethynyl)-1,2-benziodazole-3-(1H)-one","","C1=CC=C(C=C1)C#CI2C3=CC=CC=C3C(=O)N2","XORMJEPECJJBKU-UHFFFAOYSA-N","403789",NA,"PDBC09145","719279","Present"
-"1-(Phenylethynyl)-1,2-benziodoxol-3(1H)-one","","","","","","","","","","","","","","","","","","","","1-(Phenylethynyl)-1,2-benziodoxol-3(1H)-one","","C1=CC=C(C=C1)C#CI2C3=CC=CC=C3C(=O)O2","XOIXSZAJFLMMOS-UHFFFAOYSA-N","392251",NA,"PDBC09146","692392","Present"
-"1-(Phenylmethoxymethyl)quinazoline-2,4-dione","","","","","","","","","","","","","","","","","","","","1-Benzyloxymethyl-2,4(1H,3H)-quinazolinedione","","C1=CC=C(C=C1)COCN2C3=CC=CC=C3C(=O)NC2=O","PEAUTODDMISCBS-UHFFFAOYSA-N","390543",NA,"PDBC09147","688031","Present"
-"1-(Phenylsulfonyl)-1h-indole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","AK-80389","","C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O","ZLARITBCJILRBL-UHFFFAOYSA-N","363334",NA,"PDBC09148","628191","Present"
-"1-(Phenylthio)pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","TC-069995","","C1CC(=O)N(C1=O)SC2=CC=CC=C2","SCAKFUJVCFIFOX-UHFFFAOYSA-N","361774",NA,"PDBC09149","625040","Present"
-"1-(Piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride","","","","","","","","","","","","","","","","","","","","2H-Benzimidazol-2-one, 1,3-dihydro-1-(4-piperidinyl)-, h...","","C1CNCCC1N2C3=CC=CC=C3NC2=O.Cl","PQQACCWSEYIFQR-UHFFFAOYSA-N","16269770",NA,"PDBC09150","63607","Present"
-"1-(Piperidinomethyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline","","","","","","","","","","","","","","","","","","","","1-(Piperidinomethyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline","","C1CCN(CC1)CC2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5","HGOZUXATDGBIDU-UHFFFAOYSA-N","400926",NA,"PDBC09151","713610","Present"
-"1-(Pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(Pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid","","C1CC(N(C1)C(=O)C2=CC=CC=N2)C(=O)O","UXKBRXACOQTFGA-UHFFFAOYSA-N","386439",NA,"PDBC09152","678407","Present"
-"1-(Tert-Butylamino)-3-(3-methyl-1,4-dihydronaphthalen-2-ylselanyl)-1-oxopropan-2-yl 2-(tert-butoxycarbonylamino)-3-hydroxypropanoate","","","","","","","","","","","","","","","","","","","","1-(tert-Butylamino)-3-(3-methyl-1,4-dioxo-1,4-dihydronap...","","CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NC(C)(C)C)OC(=O)C(CO)NC(=O)OC(C)(C)C","MFJNUNUJMFUVRP-QNSVNVJESA-N","54613302",NA,"PDBC09153","750911","Present"
-"1-(Tert-Butyldimethylsiloxy)-5-(methoxymethoxy)pentane","","","","","","","","","","","","","","","","","","","","1-(Tert-Butyldimethylsiloxy)-5-(methoxymethoxy)pentane","","CC(C)(C)[Si](C)(C)OCCCCCOCOC","TUWODTBCUFLFAY-UHFFFAOYSA-N","357782",NA,"PDBC09154","617306","Present"
-"1-(Thien-3'-yl)-2-acetylethenyl-3,4-dihydronaphthaline","","","","","","","","","","","","","","","","","","","","1-(Thien-3'-yl)-2-acetylethenyl-3,4-dihydronaphthaline","","CC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CSC=C3","QURQYCOOFASJLE-VOTSOKGWSA-N","24205423",NA,"PDBC09155","735497","Present"
-"1-(Tridecylamino)propan-2-ol;2,4,6-trinitrophenol","","","","","","","","","","","","","","","","","","","","1-(Tridecylamino)propan-2-ol;2,4,6-trinitrophenol","","CCCCCCCCCCCCCNCC(C)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","ZCPXGKUKOMTVDP-UHFFFAOYSA-N","277027",NA,"PDBC09156","125511","Present"
-"1-(Trifluoroacetyl)-1a,6a-dihydroindeno[1,2-b]aziren-6(1H)-one","","","","","","","","","","","","","","","","","","","","1-(Trifluoroacetyl)-1a,6a-dihydroindeno[1,2-b]aziren-6(1H)-one","","C1=CC=C2C(=C1)C3C(C2=O)N3C(=O)C(F)(F)F","LZKFDWVKQIDFDH-UHFFFAOYSA-N","373094",NA,"PDBC09157","649014","Present"
-"1-(Trifluoroacetyl)-3,5-dibenzylidenepiperidin-4-one","","","","","","","","","","","","","","","","","","","","NSC630601","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C(F)(F)F","QAGJOBCHMKIKSL-JYFOCSDGSA-N","5388000",NA,"PDBC09158","630601","Present"
-"1-(beta-D-Glucofuranosyl)-6-azauracil","","","","","","","","","","","","","","","","","","","","1-(.beta.-D-glucofuranosyl)-6-azauracil","","C1=NN(C(=O)NC1=O)C2C(C(C(O2)C(CO)O)O)O","XZRDFSAXRHHVPX-UHFFFAOYSA-N","381857",NA,"PDBC09159","669027","Present"
-"1-(beta-D-Glucofuranosyl)cytosine hydrochloride","","","","","","","","","","","","","","","","","","","","1-(.beta.-D-Glucofuranosyl)cytosine hydrochloride","","C1=CN(C(=O)N=C1N)C2C(C(C(O2)C(CO)O)O)O.Cl","VWIRBZKQNVHAQZ-UHFFFAOYSA-N","360423",NA,"PDBC09160","622559","Present"
-"1-(m-Tolyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-(m-Tolyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","MANTYYIOEGZMJO-UHFFFAOYSA-N","3005266",NA,"PDBC09161","687863","Present"
-"1-(m-Tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(m-Tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=CC=CC=N2","ANJKHGQGRYJRCY-PDGQHHTCSA-N","5367272",NA,"PDBC09162","668336","Present"
-"1-(m-Tolyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-[Phenyl(2-pyridinyl)methylene]-4-(3-methylphenyl)thiosemicarbazide","","CC1=CC(=CC=C1)NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","CVSJWQHRYMFLAV-NMWGTECJSA-N","5785686",NA,"PDBC09163","668327","Present"
-"1-(n-Butyl)imidazolium-trans-tetrachlorobis-1- (n-butyl)...","","","","","","","","","","","","","","","","","","","","1-(n-Butyl)imidazolium-trans-tetrachlorobis-1- (n-butyl)...","","","","",NA,"PDBC09164","630121","Present"
-"1-(o-Tolyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-[Phenyl(2-pyridinyl)methylene]-4-(2-methylphenyl)thiosemicarbazide","","CC1=CC=CC=C1NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","NFHQFZROVOSMPV-NMWGTECJSA-N","6148953",NA,"PDBC09165","668326","Present"
-"1-(p-Methoxybenzyloxy)-(3R)-3-(6-O-t-butydimethylsilyl-beta-D-glucopyrano-syloxy)butane","","","","","","","","","","","","","","","","","","","","1-(p-Methoxybenzyloxy)-(3R)-3-(6-O-t-butydimethylsilyl- ...","","CC(CCOCC1=CC=C(C=C1)OC)OC2C(C(C(C(O2)CO[Si](C)(C)C(C)(C)C)O)O)O","JCEHMHPUDMTGQR-ABNMGAQLSA-N","5469340",NA,"PDBC09166","686500","Present"
-"1-(p-Methoxybenzyloxy)-3(R)-3-beta-D-glucopyranosyloxy butane","","","","","","","","","","","","","","","","","","","","1-(p-Methoxybenzyloxy)-3(R)-3-.beta.-D-glucopyranosyloxy...","","CC(CCOCC1=CC=C(C=C1)OC)OC2C(C(C(C(O2)CO)O)O)O","YAMUCQIQMXHPMD-PGGCBECLSA-N","5459289",NA,"PDBC09167","686499","Present"
-"1-(p-Tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(p-Tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea","","CC1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC=CC=N2","ZKSCCNZKLCCYNG-PDGQHHTCSA-N","5892010",NA,"PDBC09168","668334","Present"
-"1-(p-Tolylsulfonyl)-6-[1-(p-tolylsulfonyl)pyrrol-3-yl]indole","","","","","","","","","","","","","","","","","","","","1-(p-Tolylsulfonyl)-6-[1-(p-tolylsulfonyl)pyrrol-3-yl]indole","","CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C3=CC4=C(C=C3)C=CN4S(=O)(=O)C5=CC=C(C=C5)C","QCZFWHHUTPZNLT-UHFFFAOYSA-N","388216",NA,"PDBC09169","682810","Present"
-"1-(t-Butyl)(1,2,4)triazolium-trans-tetrachlorobis-1- (t-...","","","","","","","","","","","","","","","","","","","","1-(t-Butyl)(1,2,4)triazolium-trans-tetrachlorobis-1- (t-...","","","","",NA,"PDBC09170","630124","Present"
-"1-3-[(E)-3-(3-Hydroxyphenyl)-2-propenoyl]phenyl-4-(2-naphthyl)-2,3-dihydro-1H-2-imidazolone","","","","","","","","","","","","","","","","","","","","1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-(2-nap...","","C1=CC=C2C=C(C=CC2=C1)C3=CN(C(=O)N3)C4=CC=CC(=C4)C(=O)C=CC5=CC(=CC=C5)O","PUUPCBPQLXQKJG-SDNWHVSQSA-N","54613695",NA,"PDBC09171","749805","Present"
-"1-3-[(E)-3-(3-Hydroxyphenyl)-2-propenoyl]phenyl-4-phenyl-2,3-dihydro-1H-2-imidazolone","","","","","","","","","","","","","","","","","","","","1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-phenyl...","","C1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC=CC(=C3)C(=O)C=CC4=CC(=CC=C4)O","PGIBHAZJSPMKRF-OUKQBFOZSA-N","49862081",NA,"PDBC09172","749338","Present"
-"1-68A Analogue","","","","","","","","","","","","","","","","","","","","1-68A analogue","","C1=CC(=C(C(=C1C=NOCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O","QWVXLUWDQKJYFE-YAXRCOADSA-N","135958413",NA,"PDBC09173","742894","Present"
-"1-Acetamido-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Acetamido-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]thiourea","","CC1=CC(=C(C(=O)O1)C=NC(=S)NNC(=O)C)O","GAPSOZFXJPOTEW-NYYWCZLTSA-N","135409067",NA,"PDBC09174","657573","Present"
-"1-Acetamido-5-aminoimidazole-4-carboximidoyl cyanide","","","","","","","","","","","","","","","","","","","","NSC670244","","CC(=O)NN1C=NC(=C1N)C(=N)C#N","SMFCYZAMIZWLAY-UHFFFAOYSA-N","382603",NA,"PDBC09175","670244","Present"
-"1-Acetoxy-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene","","","","","","","","","","","","","","","","","","","","[(2S,4R,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl] acetate","","CC(=O)OC1=C2C3C(O3)C4=CC=CC5=C4C2=C(C=C1)C6C5O6","WMKVLWDGVRQMEB-XWTMOSNGSA-N","397370",NA,"PDBC09176","705023","Present"
-"1-Acetoxy-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene","","","","","","","","","","","","","","","","","","","","[(2R,4S,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl] acetate","","CC(=O)OC1=C2C3C(O3)C4=CC=CC5=C4C2=C(C=C1)C6C5O6","WMKVLWDGVRQMEB-MLHJIOFPSA-N","397371",NA,"PDBC09177","705024","Present"
-"1-Acetyl-2-amino-9-[(E)-2-diethoxyphosphorylethenyl]purin-6-one","","","","","","","","","","","","","","","","","","","","1-Acetyl-2-amino-9-[(E)-2-diethoxyphosphorylethenyl]purin-6-one","","CCOP(=O)(C=CN1C=NC2=C1N=C(N(C2=O)C(=O)C)N)OCC","KSTYYCHMOXPZBI-VOTSOKGWSA-N","5470775",NA,"PDBC09178","704895","Present"
-"1-Acetyl-2-amino-9-[(Z)-2-diethoxyphosphorylethenyl]purin-6-one","","","","","","","","","","","","","","","","","","","","1-Acetyl-2-amino-9-[(Z)-2-diethoxyphosphorylethenyl]purin-6-one","","CCOP(=O)(C=CN1C=NC2=C1N=C(N(C2=O)C(=O)C)N)OCC","KSTYYCHMOXPZBI-SREVYHEPSA-N","5470776",NA,"PDBC09179","704896","Present"
-"1-Acetyl-2-benzyl-2-methoxyindol-3-one","","","","","","","","","","","","","","","","","","","","1-Acetyl-2-benzyl-2-methoxyindol-3-one","","CC(=O)N1C2=CC=CC=C2C(=O)C1(CC3=CC=CC=C3)OC","UBZWPPHDOLCQSU-UHFFFAOYSA-N","360061",NA,"PDBC09180","621859","Present"
-"1-Acetyl-2-hydroxy-5-methylbenzo[b]carbazole-6,11-dione","","","","","","","","","","","","","","","","","","","","1-Acetyl-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione","","CC(=O)C1=C(C=CC2=C1C3=C(N2C)C(=O)C4=CC=CC=C4C3=O)O","LNFYTBXXKKKLLF-UHFFFAOYSA-N","404603",NA,"PDBC09181","720995","Present"
-"1-Acetyl-2-thiohydantoin","","","","","","","","","","","","","","","","","","","","usaf b-7","","CC(=O)N1CC(=O)NC1=S","DDWXNUFFAFBJDG-UHFFFAOYSA-N","684551",NA,"PDBC09182","1920","Present"
-"1-Acetyl-3,3,4,6,7-pentamethyl-5-indolinol","","","","","","","","","","","","","","","","","","","","1-Acetyl-3,3,4,6,7-pentamethyl-5-indolinol","","CC1=C(C(=C(C2=C1N(CC2(C)C)C(=O)C)C)O)C","XEZMKIIIVUIQCL-UHFFFAOYSA-N","382330",NA,"PDBC09183","669799","Present"
-"1-Acetyl-3,3,4,6-tetramethyl-5-indolinol","","","","","","","","","","","","","","","","","","","","ZPAGQZCYDDROJP-UHFFFAOYSA-N","","CC1=CC2=C(C(=C1O)C)C(CN2C(=O)C)(C)C","ZPAGQZCYDDROJP-UHFFFAOYSA-N","382327",NA,"PDBC09184","669796","Present"
-"1-Acetyl-3,5-dibenzylidenepiperidin-4-one","","","","","","","","","","","","","","","","","","","","NSC630599","","CC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","SEWXXLFUDNZPAF-KVOOEGMKSA-N","5387998",NA,"PDBC09185","630599","Present"
-"1-Acetyl-3-(4-methoxy-phenylsulfanyl)-2H-isoindole","","","","","","","","","","","","","","","","","","","","1-acetyl-3-(4-methoxy-phenylsulfanyl)-2H-isoindole","","CC(=O)C1=C2C=CC=CC2=C(N1)SC3=CC=C(C=C3)OC","BPMIAFLJTXCSKM-UHFFFAOYSA-N","53361731",NA,"PDBC09186","749088","Present"
-"1-Acetyl-3-(4-methoxyphenyl)-1H-[1,3,4]oxadiazino[5,6-b]quinoxaline","","","","","","","","","","","","","","","","","","","","1-Acetyl-3-(4-methoxyphenyl)-1H-[1,3,4]oxadiazino[5,6-b]quinoxaline","","CC(=O)N1C2=NC3=CC=CC=C3N=C2OC(=N1)C4=CC=C(C=C4)OC","JELHWFYIBBXPIV-UHFFFAOYSA-N","370491",NA,"PDBC09187","643713","Present"
-"1-Acetyl-3-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione","","","","","","","","","","","","","","","","","","","","1-Acetyl-3-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione","","CC(=O)N1CCN(C1=S)C2=NC3=CC=CC=C3CO2","MMJSZRXUJBXUJR-UHFFFAOYSA-N","45028035",NA,"PDBC09188","740811","Present"
-"1-Acetyl-3-amino-1H-pyrazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","2-Acetyl-5-imino-3-pyrazolidinone","","CC(=O)N1C(=O)CC(=N1)N","DZNZNJWEIQZUPD-UHFFFAOYSA-N","387327",NA,"PDBC09189","681072","Present"
-"1-Acetyl-3-methyl-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","1-Acetyl-3-methyl-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde","","CC(C)[Si](C(C)C)(C(C)C)OC1=CC=C(C=C1)CC2C(CC(N2C(=O)C)CCC3=CC=CC=C3)(C)C=O","NQKRUOIDANURON-UHFFFAOYSA-N","401725",NA,"PDBC09190","715455","Present"
-"1-Acetyl-3-phenyl-6-(3,5-dimethyl-4-hydroxyphenyl)-1,6-dihydro-1,2,4-triazin-5(2H)-one","","","","","","","","","","","","","","","","","","","","1-Acetyl-3-phenyl-6-(3,5-dimethyl-4-hydroxyphenyl)-1,6-dihydro-1,2,4-triazin-5(2H)-one","","CC1=CC(=CC(=C1O)C)C2C(=O)NC(=NN2C(=O)C)C3=CC=CC=C3","ICXAIMXLJIPISH-UHFFFAOYSA-N","135426768",NA,"PDBC09191","717211","Present"
-"1-Acetyl-4,4-dimethyl-2-(4-nitrophenyl)diazetidin-3-one","","","","","","","","","","","","","","","","","","","","1-Acetyl-4,4-dimethyl-2-(4-nitrophenyl)diazetidin-3-one","","CC(=O)N1C(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])(C)C","HECFMXUIVBTIOY-UHFFFAOYSA-N","381652",NA,"PDBC09192","668471","Present"
-"1-Acetyl-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene","","","","","","","","","","","","","","","","","","","","1-[(2S,4R,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl]ethanone","","CC(=O)C1=C2C3C(O3)C4=CC=CC5=C4C2=C(C=C1)C6C5O6","VBGVMPZDNOKGNZ-XWTMOSNGSA-N","397368",NA,"PDBC09193","705021","Present"
-"1-Acetyl-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene","","","","","","","","","","","","","","","","","","","","1-[(2R,4S,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl]ethanone","","CC(=O)C1=C2C3C(O3)C4=CC=CC5=C4C2=C(C=C1)C6C5O6","VBGVMPZDNOKGNZ-MLHJIOFPSA-N","397369",NA,"PDBC09194","705022","Present"
-"1-Acetyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-Acetyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione","","CC(=O)N1C(=O)N(C(=O)N1)C2=CC=C(C=C2)Cl","VGBSUKYPBPHIOY-UHFFFAOYSA-N","388169",NA,"PDBC09195","682733","Present"
-"1-Acetyl-4-(4-methoxyphenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-Acetyl-4-(4-methoxyphenyl)-1,2,4-triazolidine-3,5-dione","","CC(=O)N1C(=O)N(C(=O)N1)C2=CC=C(C=C2)OC","CDWQLPKZMZGOMK-UHFFFAOYSA-N","390564",NA,"PDBC09196","688073","Present"
-"1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1,4-Aptd","","CC(=O)N1C(=O)N(C(=O)N1)C2=CC=CC=C2","GMFZGVRQOGGCSY-UHFFFAOYSA-N","152126",NA,"PDBC09197","682734","Present"
-"1-Acetyl-4-thioformylpiperazine","","","","","","","","","","","","","","","","","","","","1-Acetyl-4-thioformylpiperazine","","CC(=O)N1CCN(CC1)C=S","IYBAADNGQMARBG-UHFFFAOYSA-N","365327",NA,"PDBC09198","632918","Present"
-"1-Acetyl-5-(2-hydroxypropyl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-Acetyl-5-(2-hydroxypropyl)pyrimidine-2,4-dione","","CC(CC1=CN(C(=O)NC1=O)C(=O)C)O","ZLTGXRGAMRHQCK-UHFFFAOYSA-N","370039",NA,"PDBC09199","642602","Present"
-"1-Acetyl-5-(3,4,5-trimethoxyphenyl)-3-phenyl-4,5-di-(hydro(1H)pyrazole","","","","","","","","","","","","","","","","","","","","1-[5-Phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC","GPXBKWFDMRUFFY-UHFFFAOYSA-N","45028881",NA,"PDBC09200","744686","Present"
-"1-Acetyl-5-chloro-1H-indole-2,3-dione","","","","","","","","","","","","","","","","","","","","1-acetyl-5-chloroisatin","","CC(=O)N1C2=C(C=C(C=C2)Cl)C(=O)C1=O","JQIWWFPOUCJCEN-UHFFFAOYSA-N","362457",NA,"PDBC09201","626404","Present"
-"1-Acetyl-5-isopropoxy-3-methyl-2-phenylpyrazolidine","","","","","","","","","","","","","","","","","","","","1-Acetyl-5-isopropoxy-3-methyl-2-phenylpyrazolidine","","CC1CC(N(N1C2=CC=CC=C2)C(=O)C)OC(C)C","IKYCLWWGLXTHBQ-UHFFFAOYSA-N","377005",NA,"PDBC09202","658223","Present"
-"1-Acetyl-5-methyl-3-(2-naphthyl)-1H-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","1-Acetyl-5-methyl-3-(2-naphthyl)-1H-1,2,4-triazole","","CC1=NC(=NN1C(=O)C)C2=CC3=CC=CC=C3C=C2","KNKWBLHSNCNHHS-UHFFFAOYSA-N","386776",NA,"PDBC09203","679484","Present"
-"1-Acetylnaphtho[2,3-b]azet-2-one","","","","","","","","","","","","","","","","","","","","1-Acetylnaphtho[2,3-b]azet-2-one","","CC(=O)N1C2=CC3=CC=CC=C3C=C2C1=O","FQSGHCPFYLVEQZ-UHFFFAOYSA-N","383831",NA,"PDBC09204","672448","Present"
-"1-Acetylthio-1-phenyl-2-nitroethane","","","","","","","","","","","","","","","","","","","","Acetic acid, thio-,S-[.alpha.-(nitromethyl)benzyl] ester","","CC(=O)SC(C[N+](=O)[O-])C1=CC=CC=C1","YPTUXBSIFZOUKX-UHFFFAOYSA-N","281443",NA,"PDBC09205","134228","Present"
-"1-Acridin-9-yl-3-[(Z)-2,3-dichloroallyl]urea","","","","","","","","","","","","","","","","","","","","1-Acridin-9-yl-3-[(Z)-2,3-dichloroallyl]urea","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)NCC(=CCl)Cl","ZVPMTYJNZLZWHT-LUAWRHEFSA-N","5816434",NA,"PDBC09206","664965","Present"
-"1-Acridin-9-yl-3-[6-(acridin-9-ylcarbamothioylamino)hexyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Acridin-9-yl-3-[6-(acridin-9-ylcarbamothioylamino)hexyl]thiourea","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=S)NCCCCCCNC(=S)NC4=C5C=CC=CC5=NC6=CC=CC=C64","AENUNLQZPTXCFH-UHFFFAOYSA-N","3004086",NA,"PDBC09207","626151","Present"
-"1-Acridin-9-ylpiperidin-4-ol","","","","","","","","","","","","","","","","","","","","1-Acridin-9-ylpiperidin-4-ol","","C1CN(CCC1O)C2=C3C=CC=CC3=NC4=CC=CC=C42","ROUXDRGKRHPJQI-UHFFFAOYSA-N","317251",NA,"PDBC09208","248040","Present"
-"1-Acryloyl-3,5-bis(4-chlorobenzylidene)piperidine-4-one","","","","","","","","","","","","","","","","","","","","1-Acryloyl-3,5-bis(4-chlorobenzylidene)piperidine-4-one","","C=CC(=O)N1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","UANWMDUDDVNHJV-JYFOCSDGSA-N","5351434",NA,"PDBC09209","687849","Present"
-"1-Acryloyl-3,5-bis(4-fluorobenzylidene)piperidine-4-one","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-bis[(4-fluorophenyl)methylene]- 1-(1...","","C=CC(=O)N1CC(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)C1","JTMAQMMHQYJZRV-JYFOCSDGSA-N","5469427",NA,"PDBC09210","687850","Present"
-"1-Acryloyl-3,5-bis(4-methoxybenzylidene)piperidine-4-one","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-bis[(4-methoxyphenyl)methylene]- 1-(...","","COC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)OC)C2=O)C(=O)C=C","HUKFHMCTPWIOSR-IWGRKNQJSA-N","5469428",NA,"PDBC09211","687851","Present"
-"1-Adamantanamine, N-[(2-bromophenyl)methylene]-","","","","","","","","","","","","","","","","","","","","1-adamantanamine, n-[(2-bromophenyl)methylene]-","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4Br","FXTQHBZNLJFKPZ-UHFFFAOYSA-N","364586",NA,"PDBC09212","631076","Present"
-"1-Adamantyl 2-(benzyloxy)-3,5-dichlorobenzenesulfinate","","","","","","","","","","","","","","","","","","","","1-Adamantyl 2-(benzyloxy)-3,5-dichlorobenzenesulfinate","","C1C2CC3CC1CC(C2)(C3)OS(=O)C4=C(C(=CC(=C4)Cl)Cl)OCC5=CC=CC=C5","GXPPFFRVFBAFCB-UHFFFAOYSA-N","361224",NA,"PDBC09213","624182","Present"
-"1-Adamantyl 2-methyl-2-propanesulfinate","","","","","","","","","","","","","","","","","","","","1-Adamantyl 2-methyl-2-propanesulfinate","","CC(C)(C)S(=O)OC12CC3CC(C1)CC(C3)C2","AMSIUHRGJNKJAR-UHFFFAOYSA-N","376101",NA,"PDBC09214","656586","Present"
-"1-Adamantyl 4-(((2-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[(2-bromi-3,6-dioxo-1,4-cyclohexadienyl...","","C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C(=O)C=CC5=O)Br","HBNOWTYBRHQJFH-UHFFFAOYSA-N","388707",NA,"PDBC09215","683766","Present"
-"1-Adamantyl 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","1-Adamantyl 4-hydroxy-2-methyl-5-phenylpyrrole-3-carboxy...","","CC1=C(C(=C(N1)C2=CC=CC=C2)O)C(=O)OC34CC5CC(C3)CC(C5)C4","CUHMBSQJQNUNKB-UHFFFAOYSA-N","393569",NA,"PDBC09216","695638","Present"
-"1-Adamantyl 4-methylbenzenesulfinate","","","","","","","","","","","","","","","","","","","","1-Adamantyl 4-methylbenzenesulfinate","","CC1=CC=C(C=C1)S(=O)OC23CC4CC(C2)CC(C4)C3","OATDECSRIAPRKG-UHFFFAOYSA-N","361213",NA,"PDBC09217","624173","Present"
-"1-Adamantyl(3-(4-bromo-2-hydroxyphenyl)-2-oxiranyl)methanone","","","","","","","","","","","","","","","","","","","","1-Adamantyl(3-(4-bromo-2-hydroxyphenyl)-2-oxiranyl)methanone","","C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=C(C=C(C=C5)Br)O","WVPPKANAXCRNKN-UHFFFAOYSA-N","386289",NA,"PDBC09218","678046","Present"
-"1-Adamantyl(3-(4-chlorophenyl)-2-oxiranyl)methanone","","","","","","","","","","","","","","","","","","","","1-Adamantyl(3-(4-chlorophenyl)-2-oxiranyl)methanone","","C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)Cl","OMIQGPLZYHXYBR-UHFFFAOYSA-N","386286",NA,"PDBC09219","678043","Present"
-"1-Adamantyl(3-(4-fluorophenyl)-2-oxiranyl)methanone","","","","","","","","","","","","","","","","","","","","1-Adamantyl(3-(4-fluorophenyl)-2-oxiranyl)methanone","","C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)F","LOXSRQRIHVXPKC-UHFFFAOYSA-N","386285",NA,"PDBC09220","678042","Present"
-"1-Adamantyl(3-(4-hydroxyphenyl)-2-oxiranyl)methanone","","","","","","","","","","","","","","","","","","","","1-Adamantyl(3-(4-hydroxyphenyl)-2-oxiranyl)methanone","","C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)O","QVCRRWLRMOGIHT-UHFFFAOYSA-N","386287",NA,"PDBC09221","678044","Present"
-"1-Adamantyl(3-(4-methoxyphenyl)-2-oxiranyl)methanone","","","","","","","","","","","","","","","","","","","","1-Adamantyl(3-(4-methoxyphenyl)-2-oxiranyl)methanone","","COC1=CC=C(C=C1)C2C(O2)C(=O)C34CC5CC(C3)CC(C5)C4","PKSXYICAEYVKMJ-UHFFFAOYSA-N","386288",NA,"PDBC09222","678045","Present"
-"1-Adamantyl(hydroxy)dimethyl-lambda(5)-azane","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-1-aminoadamantane N-oxide hydrate","","C[N+](C)(C12CC3CC(C1)CC(C3)C2)[O-]","IYWIVICINGQCIS-UHFFFAOYSA-N","391735",NA,"PDBC09223","691278","Present"
-"1-Adamantyl-[3-(3-nitrophenyl)oxiran-2-yl]methanone","","","","","","","","","","","","","","","","","","","","Methanone, (tricyclo[3.3.1.1(3,7)]decan-1-yl) [3-(3-nitr...","","C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC(=CC=C5)[N+](=O)[O-]","DWOPRENAUBUKIB-UHFFFAOYSA-N","386283",NA,"PDBC09224","678040","Present"
-"1-Adamantyl-[3-(4-nitrophenyl)oxiran-2-yl]methanone","","","","","","","","","","","","","","","","","","","","1-Adamantyl-[3-(4-nitrophenyl)oxiran-2-yl]methanone","","C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)[N+](=O)[O-]","CBNWFPTVXBGBFO-UHFFFAOYSA-N","386284",NA,"PDBC09225","678041","Present"
-"1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","NSC689857","","C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O","MXKHJVTZHIIIMQ-UHFFFAOYSA-N","391131",NA,"PDBC09226","689857","Present"
-"1-Adamantylmethyl 4-methylbenzenesulfinate","","","","","","","","","","","","","","","","","","","","1-Adamantylmethyl 4-methylbenzenesulfinate","","CC1=CC=C(C=C1)S(=O)OCC23CC4CC(C2)CC(C4)C3","CBKSEGHZRUEILH-UHFFFAOYSA-N","361214",NA,"PDBC09227","624174","Present"
-"1-Allyl-2-[4-chloro-2-(carbamoylmethylthio)-5-(phenylcarbamo yl)benzenesulfonyl]-3-(5-nitro-2-furfurylidenimino)guanidine","","","","","","","","","","","","","","","","","","","","1-Allyl-2-[4-chloro-2-(carbamoylmethylthio)-5-(phenylcar...","","C=CCN=C(NN=CC1=CC=C(O1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)SCC(=O)N","GQFRUBCFSSUMNB-XODNFHPESA-N","23583768",NA,"PDBC09228","734057","Present"
-"1-Allyl-2-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-methylthio benzenesulfonyl]-3-(5-nitro-2-furfulienimino)guanidine","","","","","","","","","","","","","","","","","","","","1-Allyl-2-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-methyl...","","CSC1=C(C=C(C(=C1)Cl)C(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)NC(=NCC=C)NN=CC3=CC=C(O3)[N+](=O)[O-]","VBTVERYCBSUONF-UVHMKAGCSA-N","17756726",NA,"PDBC09229","728512","Present"
-"1-Allyl-2-amino-5-phenyl-pyrrole-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","1-Allyl-2-amino-5-phenyl-pyrrole-3,4-dicarbonitrile","","C=CCN1C(=C(C(=C1N)C#N)C#N)C2=CC=CC=C2","LYIQUPXTNPHHFY-UHFFFAOYSA-N","387736",NA,"PDBC09230","681765","Present"
-"1-Allyl-2-amino-5-propyl-pyrrole-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","1-Allyl-2-amino-5-propyl-pyrrole-3,4-dicarbonitrile","","CCCC1=C(C(=C(N1CC=C)N)C#N)C#N","VPTQGQRETKPMSL-UHFFFAOYSA-N","387734",NA,"PDBC09231","681763","Present"
-"1-Allyl-3-(tert-butyldimethylsilyloxy)-2-styryl-2,3-dihydropyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","1-allyl-3-(tert-butyldimethylsilyloxy)-2-styryl-2,3-dihy...","","CC(C)(C)[Si](C)(C)OC1C(N(C=CC1=O)CC=C)C=CC2=CC=CC=C2","PORDSGJSNHJCRF-KNJPYWDESA-N","54613206",NA,"PDBC09232","750005","Present"
-"1-Allyl-3-[(6-methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Allyl-3-[(6-methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea","","CC1=C(N2C=CSC2=N1)C(=O)NNC(=S)NCC=C","KONGQTGALJUHGP-UHFFFAOYSA-N","3005852",NA,"PDBC09233","649049","Present"
-"1-Allyl-3-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Allyl-3-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)amino]thiourea","","C=CCNC(=S)N=NC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])O","ATHNMYKARKSIGI-UHFFFAOYSA-N","135426761",NA,"PDBC09234","716765","Present"
-"1-Allyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Allyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea","","C=CCNC(=S)N=NC1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])CN3CCOCC3)O","GUUSARHCVLKPEY-UHFFFAOYSA-N","135426763",NA,"PDBC09235","716768","Present"
-"1-Allyl-4-hydroxy-3-phenyl-quinolin-2-one","","","","","","","","","","","","","","","","","","","","STL321696","","C=CCN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)O","YWWXWLRUZYYONF-UHFFFAOYSA-N","54680432",NA,"PDBC09236","675809","Present"
-"1-Allyl-4-piperidyl cyclopentyl(1-propynyl)glycolate","","","","","","","","","","","","","","","","","","","","LS-57998","","CC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)CC=C)O","KFAKSXHFDZBAHZ-UHFFFAOYSA-N","380296",NA,"PDBC09237","665777","Present"
-"1-Allyl-4-piperidyl cyclopentyl(cis-1-butenyl)glycolate","","","","","","","","","","","","","","","","","","","","NSC665775","","CCC=CC(C1CCCC1)(C(=O)OC2CCN(CC2)CC=C)O","XQKHEGYSDODBLT-XGICHPGQSA-N","5468179",NA,"PDBC09238","665775","Present"
-"1-Allyl-5-amino-2-propyl-2H-pyrrole-3,3,4-tricarbonitrile","","","","","","","","","","","","","","","","","","","","1-Allyl-5-amino-2-propyl-2H-pyrrole-3,3,4-tricarbonitrile","","CCCC1C(C(=C(N1CC=C)N)C#N)(C#N)C#N","BRUQQCCAAZKMSO-UHFFFAOYSA-N","387724",NA,"PDBC09239","681753","Present"
-"1-Allyl-9-(p-tolylsulfonyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine","","","","","","","","","","","","","","","","","","","","1H-Indeno[2,1-c]pyridine, 2,3,4,9-tetrahydro-9-[(4-methy...","","CC1=CC=C(C=C1)S(=O)(=O)C2C3=CC=CC=C3C4=C2C(NCC4)CC=C","VNCRYOJGFHUMDP-UHFFFAOYSA-N","394609",NA,"PDBC09240","698189","Present"
-"1-Allyloxy-6-methyl-2-vinyl-benzimidazole","","","","","","","","","","","","","","","","","","","","1-Allyloxy-6-methyl-2-vinyl-benzimidazole","","CC1=CC2=C(C=C1)N=C(N2OCC=C)C=C","OSPBKNPMGPLFND-UHFFFAOYSA-N","399714",NA,"PDBC09241","710718","Present"
-"1-Amino-1-(4-methoxyphenyl)-3-(2-methylallyl)thiourea","","","","","","","","","","","","","","","","","","","","1-Amino-1-(4-methoxyphenyl)-3-(2-methylallyl)thiourea","","CC(=C)CNC(=S)N(C1=CC=C(C=C1)OC)N","KUWDJLDWVSYKFS-UHFFFAOYSA-N","3004833",NA,"PDBC09242","659925","Present"
-"1-Amino-2,3-dimethyl-4-nitroanthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1-Amino-2,3-dimethyl-4-nitroanthracene-9,10-dione","","CC1=C(C(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])C","YHEAZSDRUOKHIW-UHFFFAOYSA-N","4637536",NA,"PDBC09243","627541","Present"
-"1-Amino-2,3-dimethylanthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","STK367370","","CC1=CC2=C(C(=C1C)N)C(=O)C3=CC=CC=C3C2=O","QNLBFFTVWDTZNQ-UHFFFAOYSA-N","363753",NA,"PDBC09244","628945","Present"
-"1-Amino-2-(1-benzofuran-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-Amino-2-(1-benzofuran-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine","","C1=CC=C2C(=C1)C=C(O2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","VHOZNXDWJBTFID-UHFFFAOYSA-N","9572181",NA,"PDBC09245","706449","Present"
-"1-Amino-2-(1-benzothiophen-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-Amino-2-(1-benzothiophen-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine","","C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","BDJULBXPMRSJFI-UHFFFAOYSA-N","9572177",NA,"PDBC09246","706445","Present"
-"1-Amino-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-Amino-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-(4-chlorophenyl)guanidine","","C1=CC2=NSN=C2C(=C1)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","CRTFIZITNWSRID-UHFFFAOYSA-N","9572174",NA,"PDBC09247","706442","Present"
-"1-Amino-2-(2-aminoethylsulfanyl)-4-hydroxyanthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1-Amino-2-(2-aminoethylsulfanyl)-4-hydroxyanthracene-9,10-dione","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)SCCN)N","HESKUOPEMOKHLG-UHFFFAOYSA-N","418574",NA,"PDBC09248","102534","Present"
-"1-Amino-2-(4-butoxyphenyl)sulfonyl-3-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-Amino-2-(4-butoxyphenyl)sulfonyl-3-(4-chlorophenyl)guanidine","","CCCCOC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NN","DCKYFNPZCPIOHI-UHFFFAOYSA-N","9572175",NA,"PDBC09249","706443","Present"
-"1-Amino-2-(tert-butyldimethylsilyoxymethyl)-2-propene","","","","","","","","","","","","","","","","","","","","1-Amino-2-(tert-butyldimethylsilyoxymethyl)-2-propene","","CC(C)(C)[Si](C)(C)OCC(=C)CN","CBXXPLVQJDBALD-UHFFFAOYSA-N","378447",NA,"PDBC09250","660986","Present"
-"1-Amino-2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-Amino-2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-(4-chlorophenyl)guanidine","","CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","VZOXVAVAGUOFGQ-UHFFFAOYSA-N","9572179",NA,"PDBC09251","706447","Present"
-"1-Amino-2-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-3-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-Amino-2-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-3-(4-chlorophenyl)guanidine","","C1=CC(=C(C(=C1)Cl)C#N)OC2=CC=C(C=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","KREBXXOPVOEKKF-UHFFFAOYSA-N","9572176",NA,"PDBC09252","706444","Present"
-"1-Amino-2-[4-(benzenesulfonyl)thiophen-2-yl]sulfonyl-3-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-Amino-2-[4-(benzenesulfonyl)thiophen-2-yl]sulfonyl-3-(4-chlorophenyl)guanidine","","C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","RIRLASHQKOJUFP-UHFFFAOYSA-N","9572180",NA,"PDBC09253","706448","Present"
-"1-Amino-2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-3-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-Amino-2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-3-(4-chlorophenyl)guanidine","","C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","VGBCLWYMUPDWJC-UHFFFAOYSA-N","9572183",NA,"PDBC09254","706451","Present"
-"1-Amino-2-hydroxy-3-naphthoic acid hydrochloride","","","","","","","","","","","","","","","","","","","","1-Amino-2-hydroxy-3-naphthoic acid hydrochloride","","C1=CC=C2C(=C1)C=C(C(=C2N)O)C(=O)O.Cl","OZMQFYNCBCOBLU-UHFFFAOYSA-N","385619",NA,"PDBC09255","676931","Present"
-"1-Amino-2-naphthalen-1-ylguanidine;hydroiodide","","","","","","","","","","","","","","","","","","","","NSC664253","","C1=CC=C2C(=C1)C=CC=C2N=C(N)NN.I","BNIKLVFYFUZMGB-UHFFFAOYSA-N","379567",NA,"PDBC09256","664253","Present"
-"1-Amino-3-(2-chloroethyl)-1-methyl-urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-(2-chloroethyl)-1-methyl-urea","","CN(C(=O)NCCCl)N","SGZGTYYQZVDOGX-UHFFFAOYSA-N","388219",NA,"PDBC09257","682813","Present"
-"1-Amino-3-(2-methylallyl)-1-(2-naphthyl)thiourea","","","","","","","","","","","","","","","","","","","","1-Amino-3-(2-methylallyl)-1-(2-naphthyl)thiourea","","CC(=C)CNC(=S)N(C1=CC2=CC=CC=C2C=C1)N","VFQSTEBWKZFRJV-UHFFFAOYSA-N","3004832",NA,"PDBC09258","659924","Present"
-"1-Amino-3-(4-chloro-benzylsulfanyl)-propan-2-ol","","","","","","","","","","","","","","","","","","","","NCI-24915","","C1=CC(=CC=C1CSCC(CN)O)Cl","LENRNEIYYCBCBL-UHFFFAOYSA-N","230263",NA,"PDBC09259","24915","Present"
-"1-Amino-3-(4-chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-Amino-3-(4-chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine","","C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","SAMFRTCQHAYMAV-UHFFFAOYSA-N","9572178",NA,"PDBC09260","706446","Present"
-"1-Amino-3-(4-chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-Amino-3-(4-chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonylguanidine","","C1=CC(=CC=C1NC(=NS(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)NN)Cl","SKHZKLPXPZDEJB-UHFFFAOYSA-N","9572173",NA,"PDBC09261","706441","Present"
-"1-Amino-3-(4-chlorophenyl)-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-Amino-3-(4-chlorophenyl)-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylguanidine","","CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN)C(F)(F)F","OOUHZVRRJCWAFQ-UHFFFAOYSA-N","9572182",NA,"PDBC09262","706450","Present"
-"1-Amino-3-(6-hydrazinyl-1H-benzimidazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","3-Amino-1-(6-hydrazino-1h-benzimidazol-2-yl)urea","","C1=CC2=C(C=C1NN)NC(=N2)NC(=O)NN","BPPPJWXGUQBJBZ-UHFFFAOYSA-N","399820",NA,"PDBC09263","710918","Present"
-"1-Amino-3-(butylsulfinyl)propylphosphonic acid","","","","","","","","","","","","","","","","","","","","1-Amino-3-(butylsulfinyl)propylphosphonic acid","","CCCCS(=O)CCC(N)P(=O)(O)O","KHRMYJHEFDYBPA-UHFFFAOYSA-N","382232",NA,"PDBC09264","669687","Present"
-"1-Amino-3-(butylsulfonyl)propylphosphonic acid","","","","","","","","","","","","","","","","","","","","1-Amino-3-(butylsulfonyl)propylphosphonic acid","","CCCCS(=O)(=O)CCC(N)P(=O)(O)O","OOQUOFRFPNHGFJ-UHFFFAOYSA-N","382233",NA,"PDBC09265","669688","Present"
-"1-Amino-3-(methylsulfonyl)propylphosphonic acid","","","","","","","","","","","","","","","","","","","","1-Amino-3-(methylsulfonyl)propylphosphonic acid","","CS(=O)(=O)CCC(N)P(=O)(O)O","OVQVMRUICUZELT-UHFFFAOYSA-N","382241",NA,"PDBC09266","669695","Present"
-"1-Amino-3-(methylthio)propyl(methyl)phosphinic acid","","","","","","","","","","","","","","","","","","","","Phosphinic acid, [1-amino-(3-methylthio)propyl]methyl-","","CP(=O)(C(CCSC)N)O","OUQYPJOGYALLBV-UHFFFAOYSA-N","382225",NA,"PDBC09267","669681","Present"
-"1-Amino-3-[(E)-[1-(2-hydroxyphenyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(E)-[1-(2-hydroxyphenyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]thiourea","","C1=CC=C2C(=C1)C(OC2=O)CC(=NNC(=S)NN)C3=CC=CC=C3O","KUFFFEFHLALAHL-DEDYPNTBSA-N","135499153",NA,"PDBC09268","640356","Present"
-"1-Amino-3-[(E)-[1-(6-chloro-3-hydroxy-quinoxalin-2-yl)-2-(2,4-dichlorophenyl)-2-hydroxy-ethylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(E)-[1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-(2,4-dichlorophenyl)-2-hydroxyethylidene]amino]thiourea","","C1=CC(=C(C=C1Cl)Cl)C(C(=NNC(=S)NN)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","KFPLYISDELFVFF-DHRITJCHSA-N","135499203",NA,"PDBC09269","644732","Present"
-"1-Amino-3-[(E)-[1-(6-chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(E)-[1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethylidene]amino]thiourea","","C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=NNC(=S)NN)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","OCLVLAOKHQSPDZ-YDZHTSKRSA-N","135499176",NA,"PDBC09270","642637","Present"
-"1-Amino-3-[(E)-[2-(5,7-dichloro-3-hydroxy-indolin-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(E)-[2-(5,7-dichloro-3-hydroxy-1,2-dihydroindol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea","","COC1=CC=C(C=C1)C(C(=NNC(=O)NN)C2=CC=C(C=C2)OC)C3(CNC4=C3C=C(C=C4Cl)Cl)O","UFJJBRKPPHHJOD-VAMRJTSQSA-N","5928235",NA,"PDBC09271","637670","Present"
-"1-Amino-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]urea","","CC1=CC(=C(C(=O)O1)C=NC(=O)NN)O","PJJLHDHJJOMNMZ-XCVCLJGOSA-N","135409058",NA,"PDBC09272","657452","Present"
-"1-Amino-3-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-indolin-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea","","COC1=CC=C(C=C1)C(C(=NNC(=O)NN)C2=CC=C(C=C2)OC)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","FDKCZXRZFFRTEI-NJZRLIGZSA-N","9570017",NA,"PDBC09273","632023","Present"
-"1-Amino-3-[(Z)-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]urea","","C1=CC=C(C=C1)C(=NNC(=O)NN)CC2(C3=C(C=CC(=C3)Br)NC2=O)O","QCNYSNQEILUJLA-HMAPJEAMSA-N","9569801",NA,"PDBC09274","618522","Present"
-"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-2,5,6-trioxo-3-piperidylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]thiourea","","CC1=C(C(=CC=C1)N2C(=O)C(=NNC(=S)NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C","NCMFOQQNBUKTNQ-XYGWBWBKSA-N","6105086",NA,"PDBC09275","631516","Present"
-"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,5,6-trioxo-3-piperidylidene]amino]urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]urea","","CC1=CC(=C(C=C1)C)N2C(=O)C(=NNC(=O)NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","ZNYHPZWSURWMDY-XYGWBWBKSA-N","5906786",NA,"PDBC09276","623043","Present"
-"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxo-3-piperidylidene]amino]urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]urea","","CC1=C(C(=CC=C1)C)N2C(=O)C(=NNC(=O)NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","RISLEAPECJYVQI-MYYYXRDXSA-N","6003340",NA,"PDBC09277","623045","Present"
-"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(3,4-dichlorophenyl)-2,5,6-trioxo-3-piperidylidene]amino]urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(3,4-dichlorophenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]urea","","C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=O)NN)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl","LWWAKAUAXQMXTJ-QFEZKATASA-N","5908554",NA,"PDBC09278","623044","Present"
-"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-2,5,6-trioxo-1-thiazol-2-yl-3-piperidylidene]amino]urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-2,5,6-trioxo-1-thiazol-2-yl-3-piperidylidene]amino]urea","","C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=O)NN)C(=O)N(C(=O)C3=O)C4=NC=CS4","JBXLDEHZMQEVHG-FBHDLOMBSA-N","6066517",NA,"PDBC09279","635432","Present"
-"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-5,6-dioxo-3-piperidylidene]amino]urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-5,6-dioxo-3-piperidylidene]amino]urea","","C1C(=NNC(=O)NN)C(C(=O)C(=O)N1)C2=NC3=CC=CC=C3S2","YWYLWUQLRABBMJ-CNHKJKLMSA-N","5926252",NA,"PDBC09280","623763","Present"
-"1-Amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5,6-dioxo-3-piperidylidene]amino]urea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5,6-dioxo-3-piperidylidene]amino]urea","","C1C(=NNC(=O)NN)C(C(=O)C(=O)N1C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4O3","RPYXWPCJIMBDSF-BRJLIKDPSA-N","5871955",NA,"PDBC09281","623751","Present"
-"1-Amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2-ethyl-6-methyl-phenyl)-2,5,6-trioxo-3-piperidylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2-ethyl-6-methylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]thiourea","","CCC1=CC=CC(=C1N2C(=O)C(=NNC(=S)NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3)C","LABLVXYDAPCUIC-QQXSKIMKSA-N","5849176",NA,"PDBC09282","623754","Present"
-"1-Amino-3-[2-(aminocarbamothioylamino)ethyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[2-(aminocarbamothioylamino)ethyl]thiourea","","C(CNC(=S)NN)NC(=S)NN","OCODKEGXDNJQND-UHFFFAOYSA-N","3005301",NA,"PDBC09283","689541","Present"
-"1-Amino-3-[[2-(4-chloroanilino)-4-methyl-thiazole-5-carbonyl]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[[2-(4-chloroanilino)-4-methyl-thiazole-5-carbonyl]amino]thiourea","","CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NNC(=S)NN","VTMPZMWXGYCXIP-UHFFFAOYSA-N","3004229",NA,"PDBC09284","637601","Present"
-"1-Amino-3-[[3-(aminocarbamothioylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Amino-3-[[3-(aminocarbamothioylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]thiourea","","CC1(C(=NNC(=S)NN)C(C1=NNC(=S)NN)(C)C)C","MXJKCBQXSFEOEY-UHFFFAOYSA-N","3004348",NA,"PDBC09285","647253","Present"
-"1-Amino-3-phenyl-2-propenyl pivalate","","","","","","","","","","","","","","","","","","","","1-Amino-3-phenyl-2-propenyl pivalate","","CC(C)(C)C(=O)OC(C=CC1=CC=CC=C1)N","PDQVZGAHPRRODS-MDZDMXLPSA-N","5469456",NA,"PDBC09286","688341","Present"
-"1-Amino-3-phenyl-guanidine, nitric acid salt","","","","","","","","","","","","","","","","","","","","1-Amino-3-phenyl-guanidine, nitric acid salt","","C1=CC=C(C=C1)NC(N)NN.[N+](=O)(O)[O-]","QLFBLPKXJZBFGN-UHFFFAOYSA-N","387146",NA,"PDBC09287","680650","Present"
-"1-Amino-3-pyridin-3-ylurea","","","","","","","","","","","","","","","","","","","","N-(Pyridin-3-yl)hydrazinecarboxamide","","C1=CC(=CN=C1)NC(=O)NN","YCKCHOCLHWUEIU-UHFFFAOYSA-N","303863",NA,"PDBC09288","193636","Present"
-"1-Amino-4-((4'-amino-2'-sulfo[1,1'-biphenyl]-4-yl)amino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-Anthracenesulfonic acid, 1-amino-4-[(4'-amino-2'-sulfo...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)C5=C(C=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O)N","DKIXYFHAZQQVHO-UHFFFAOYSA-N","277277",NA,"PDBC09289","125910","Present"
-"1-Amino-5-benzoylaminoanthraquinone","","","","","","","","","","","","","","","","","","","","5-benzamido-1-aminoanthraquinone","","C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N","FWEQPMZEKHHFTB-UHFFFAOYSA-N","67011",NA,"PDBC09290","13981","Present"
-"1-Amino-5-sulfanyl-triazole-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","1-Amino-5-sulfanyl-triazole-4-carbohydrazide","","C1(=NNN(C1=S)N)C(=O)NN","AOOGNPNALRRUEW-UHFFFAOYSA-N","3001883",NA,"PDBC09291","684033","Present"
-"1-Amino-6,7,8,9-tetrahydro-8-methylthieno[2,3-c]isoquinoline-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 1-amino-8-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate","","CC1CCC2=CN=C3C(=C2C1)C(=C(S3)C(=O)OC)N","UPENDRABDYEGNB-UHFFFAOYSA-N","396656",NA,"PDBC09292","703170","Present"
-"1-Amino-7-benzyl-3H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","1-Amino-7-benzylxanthine","","C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)N","BTJXXEFSHHKFFM-UHFFFAOYSA-N","391125",NA,"PDBC09293","689743","Present"
-"1-Amino-8-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","","","","","","","","","","","","","","","","","","","1-Amino-8-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","CN1C(=O)C2C(C1=O)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)N)O","ZXBWBJZXTCWRKI-UHFFFAOYSA-N","360116",NA,"PDBC09294","621987","Present"
-"1-Amino-8-methoxybenzo[f]quinazoline-7,10-dione","","","","","","","","","","","","","","","","","","","","Benzo[f]quinazoline-7,10-dione, 1-amino-7,10-dihydro-8-m...","","COC1=CC(=O)C2=C(C1=O)C=CC3=C2C(=NC=N3)N","DIQVRTKHSPGCNE-UHFFFAOYSA-N","3711067",NA,"PDBC09295","622190","Present"
-"1-Amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid","","","","","","","","","","","","","","","","","","","","1-Amino-9,10-dioxo-4-(3-sulfamoylphenylamino)-9,10-dihyd...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)N)S(=O)(=O)O)N","LHSBZAWDPSTOEY-UHFFFAOYSA-N","272572",NA,"PDBC09296","117079","Present"
-"1-Amino-9-oxo-10H-acridine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-Amino-9-oxo-10H-acridine-4-carboxylic acid","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)C(=O)O)N","FUOBYFDEHGFQDU-UHFFFAOYSA-N","363819",NA,"PDBC09297","629034","Present"
-"1-Aminobenzotriazole","","","","","","","","","","","","","","","","","","","","NSC656987","","C1=CC=C2C(=C1)N=NN2N","JCXKHYLLVKZPKE-UHFFFAOYSA-N","1367",NA,"PDBC09298","656987","Present"
-"1-Aminobicyclo[2.2.1]heptan-2-one hydrochloride","","","","","","","","","","","","","","","","","","","","NSC670149","","C1CC2(CC1CC2=O)N.Cl","DXZHPTCCGQDLSI-UHFFFAOYSA-N","382539",NA,"PDBC09299","670149","Present"
-"1-Aminocyclohexane-1,4-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","0943AB","","C1CC(CCC1C(=O)O)(C(=O)O)N","JDQXFBXJCBUSRJ-UHFFFAOYSA-N","359074",NA,"PDBC09300","619576","Present"
-"1-Aminocyclopentane-1,2-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","CB 1701","","C1CC(C(C1)(C(=O)O)N)C(=O)O","ICCJHMNYUMDWSP-UHFFFAOYSA-N","244040",NA,"PDBC09301","54407","Present"
-"1-Aminomethyl-2-hydroxy-5-p-tolyl-5a,12,12a-tetrahydro-5H-benzo[5,6]cyclohepta[1,2-b]indol-one","","","","","","","","","","","","","","","","","","","","1-Aminomethyl-2-hydroxy-5-p-tolyl-5a,11,12,12a-tetrahydr...","","CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN.Cl","SXQFTTLJLBVXCP-UHFFFAOYSA-N","24205100",NA,"PDBC09302","734257","Present"
-"1-Anilino-1-tert-butyl-3-isopropyl-urea","","","","","","","","","","","","","","","","","","","","1-Anilino-1-tert-butyl-3-isopropyl-urea","","CC(C)NC(=O)N(C(C)(C)C)NC1=CC=CC=C1","KTVGZQRIENFRKT-UHFFFAOYSA-N","390092",NA,"PDBC09303","687035","Present"
-"1-Anthramine, N-(2-oxazolin-2-yl)-","","","","","","","","","","","","","","","","","","","","LS-20415","","C1COC(=N1)NC2=CC=CC3=CC4=CC=CC=C4C=C32","DYWYQTOLSPOWGU-UHFFFAOYSA-N","379588",NA,"PDBC09304","664279","Present"
-"1-Apobornaneacetic acid, 2-chloro-","","","","","","","","","","","","","","","","","","","","1-Apobornaneacetic acid, 2-chloro-","","CC1(C2CCC1(C(C2)Cl)CC(=O)O)C","OXJNTOQBZAXOPC-UHFFFAOYSA-N","222202",NA,"PDBC09305","7734","Present"
-"1-Aza-9-oxafluorene deriv. 7a","","","","","","","","","","","","","","","","","","","","1-aza-9-oxafluorene deriv. 7a","","CC1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O","OJTSQWGMSXHCRU-UHFFFAOYSA-N","406461",NA,"PDBC09306","724552","Present"
-"1-Aza-9-oxafluorene deriv. 7d","","","","","","","","","","","","","","","","","","","","3-Chlor-6-hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine","","C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)O)OC3=NC=C2Cl","ZIQWKLHPPBMFJB-UHFFFAOYSA-N","6538870",NA,"PDBC09307","728336","Present"
-"1-Aza-9-oxafluorene deriv. 7e","","","","","","","","","","","","","","","","","","","","3-Bromo-6-hydroxy-4-phenylbenzo[4,5]furo[2,3-B]pyridine","","C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)O)OC3=NC=C2Br","ALIOQXGVNHUSRG-UHFFFAOYSA-N","6538871",NA,"PDBC09308","731012","Present"
-"1-Azabicyclo[2.2.2]oct-3-yl 2-cyclohexyl-2-hydroxy-3-heptynoate","","","","","","","","","","","","","","","","","","","","1-Azabicyclo[2.2.2]oct-3-yl 2-cyclohexyl-2-hydroxy-3-heptynoate","","CCCC#CC(C1CCCCC1)(C(=O)OC2CN3CCC2CC3)O","CZSCWCOOWBSDAG-UHFFFAOYSA-N","380275",NA,"PDBC09309","665754","Present"
-"1-Azabicyclo[2.2.2]oct-3-yl 2-cyclopentyl-2-hydroxy-3-heptynoate","","","","","","","","","","","","","","","","","","","","1-Azabicyclo[2.2.2]oct-3-yl 2-cyclopentyl-2-hydroxy-3-heptynoate","","CCCC#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O","XDXCEWNBVOZWDO-UHFFFAOYSA-N","380277",NA,"PDBC09310","665756","Present"
-"1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenyl-3-butynoate","","","","","","","","","","","","","","","","","","","","1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenyl-3-butynoate","","C#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O","LBPIXGJWUMHEPZ-UHFFFAOYSA-N","380245",NA,"PDBC09311","665726","Present"
-"1-Azabicyclo[2.2.2]oct-3-yl 3-phenyl-2,3-dihydro-1-benzofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","1-Azabicyclo[2.2.2]oct-3-yl 3-phenyl-2,3-dihydro-1-benzofuran-3-carboxylate","","C1CN2CCC1C(C2)OC(=O)C3(COC4=CC=CC=C43)C5=CC=CC=C5","SXDCIALDVALDBJ-UHFFFAOYSA-N","379985",NA,"PDBC09312","665290","Present"
-"1-Azabicyclo[2.2.2]octan-3-yl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-hydroxy-2-phenylacetate","","","","","","","","","","","","","","","","","","","","1-Azabicyclo[2.2.2]oct-3-yl(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)(hydroxy)phenylacetate","","CC1(CC2=C(O1)C(=CC=C2)C(C3=CC=CC=C3)(C(=O)OC4CN5CCC4CC5)O)C","CVHNBQCKIWEHGH-UHFFFAOYSA-N","380241",NA,"PDBC09313","665720","Present"
-"1-Azabicyclo[2.2.2]octan-3-yl methanesulfonate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC79422","","CS(=O)(=O)OC1CN2CCC1CC2.Cl","CPTUNXAQAICSLU-UHFFFAOYSA-N","17368346",NA,"PDBC09314","79422","Present"
-"1-Azabicyclo[3.2.1.]octanium,8-dimethyl-5-phenyl, chloride, hydrate","","","","","","","","","","","","","","","","","","","","1-Azabicyclo[3.2.1.]octanium, 8-hydroxy-1,8-dimethyl-5-p...","","CC1(C2(CCC[N+]1(CC2)C)C3=CC=CC=C3)O.[Cl-]","MQIFXKQIXSMFRZ-UHFFFAOYSA-M","362091",NA,"PDBC09315","625619","Present"
-"1-Azido-1,2-benziodoxol-3(1H)-one","","","","","","","","","","","","","","","","","","","","1-Azido-1,2-benziodoxol-3(1H)-one","","C1=CC=C2C(=C1)C(=O)OI2#[N+]N=[N-]","XRUIUFFBFTVHKT-UHFFFAOYSA-N","389735",NA,"PDBC09316","686326","Present"
-"1-Azido-2-(2-chloroethyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Azido-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)N=[N+]=[N-])C#N","AKNJQLUSTDVMMT-UHFFFAOYSA-N","377273",NA,"PDBC09317","658526","Present"
-"1-Azido-2-(2-nitrophenyl)benzene","","","","","","","","","","","","","","","","","","","","2-azido-2 '-nitrobiphenyl","","C1=CC=C(C(=C1)C2=CC=CC=C2[N+](=O)[O-])N=[N+]=[N-]","WJSLSWVOIJRZHC-UHFFFAOYSA-N","3246282",NA,"PDBC09318","74390","Present"
-"1-Azido-2-(2-pyridyl)-phenalen-3-one","","","","","","","","","","","","","","","","","","","","1-azido-2-(2-pyridyl)-phenalen-3-one","","C1=CC=NC(=C1)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)N=[N+]=[N-]","GUIZIYIZXSXPOY-UHFFFAOYSA-N","381904",NA,"PDBC09319","669160","Present"
-"1-Azido-2-acetyl-benzo(II)quinolizin-3-one","","","","","","","","","","","","","","","","","","","","1-Azido-2-acetyl-benzo(ii)quinolizin-3-one","","CC(=O)C1=C(C2=CC=CC3=C2N(C1=O)CCC3)N=[N+]=[N-]","KVBYYQIOSUHUBI-UHFFFAOYSA-N","387483",NA,"PDBC09320","681285","Present"
-"1-Azido-2-benzoyl-phenalen-3-one","","","","","","","","","","","","","","","","","","","","1-Azido-2-benzoyl-phenalen-3-one","","C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)N=[N+]=[N-]","ZYBYQTWZDHJYOV-UHFFFAOYSA-N","387452",NA,"PDBC09321","681260","Present"
-"1-Azido-2-formyl-benzo[ij]quinolizin-3-one","","","","","","","","","","","","","","","","","","","","1-Azido-2-formyl-benzo[ij]quinolizin-3-one","","C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)C=O)N=[N+]=[N-]","UFDNWEYYEPBKDM-UHFFFAOYSA-N","381901",NA,"PDBC09322","669158","Present"
-"1-Azido-2-phenoxybenzene","","","","","","","","","","","","","","","","","","","","1-Azido-2-phenoxybenzene","","C1=CC=C(C=C1)OC2=CC=CC=C2N=[N+]=[N-]","VBSAZUXBXQTEJZ-UHFFFAOYSA-N","370019",NA,"PDBC09323","642584","Present"
-"1-Azido-2-phenyl-3-phenalenone","","","","","","","","","","","","","","","","","","","","1-azido-2-phenyl-3-phenalenone","","C1=CC=C(C=C1)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)N=[N+]=[N-]","JPYRTXRWUHGFIC-UHFFFAOYSA-N","381891",NA,"PDBC09324","669152","Present"
-"1-Azido-3,3-bis(trifluoromethyl)-1$l^{3},2-benziodoxole","","","","","","","","","","","","","","","","","","","","1-Azido-3,3-bis(trifluoromethyl)-1$l^{3},2-benziodoxole","","C1=CC=C2C(=C1)C(OI2#[N+]N=[N-])(C(F)(F)F)C(F)(F)F","IBIDEZMNINPQEO-UHFFFAOYSA-N","389734",NA,"PDBC09325","686325","Present"
-"1-Azido-3,5,7-trimethyladamantane","","","","","","","","","","","","","","","","","","","","1-Azido-3,5,7-trimethyladamantane","","CC12CC3(CC(C1)(CC(C2)(C3)N=[N+]=[N-])C)C","SYHOVRHYBNQXIZ-UHFFFAOYSA-N","357110",NA,"PDBC09326","614995","Present"
-"1-Azido-3,5-dimethyladamantane","","","","","","","","","","","","","","","","","","","","SC-88820","","CC12CC3CC(C1)(CC(C3)(C2)N=[N+]=[N-])C","YRFQAPSVRBSXEB-UHFFFAOYSA-N","357108",NA,"PDBC09327","614993","Present"
-"1-Azido-3-methyladamantane","","","","","","","","","","","","","","","","","","","","1-Azido-3-methyladamantane","","CC12CC3CC(C1)CC(C3)(C2)N=[N+]=[N-]","ZTZVVHOMAGTOJW-UHFFFAOYSA-N","357113",NA,"PDBC09328","614998","Present"
-"1-Azido-4-tert-butyl-1-(iodomethyl)cyclohexane","","","","","","","","","","","","","","","","","","","","1-Azido-4-tert-butyl-1-(iodomethyl)cyclohexane","","CC(C)(C)C1CCC(CC1)(CI)N=[N+]=[N-]","DNJCCCMFFAHOGN-UHFFFAOYSA-N","358282",NA,"PDBC09329","618224","Present"
-"1-Azidocyclooct-1-en-7-one","","","","","","","","","","","","","","","","","","","","1-Azidocyclooct-1-en-7-one","","C1CCC(=O)CC(=CC1)N=[N+]=[N-]","OOAXVUZYWGGDDY-QPJJXVBHSA-N","5387437",NA,"PDBC09330","623635","Present"
-"1-Aziridineacrylic acid, methyl ester","","","","","","","","","","","","","","","","","","","","LS-23196","","COC(=O)C=CN1CC1","SKDFDFZPLHLQKN-NSCUHMNNSA-N","5362892",NA,"PDBC09331","664001","Present"
-"1-Aziridinecarboxamide, N,N'-hexamethylenebis(2-methyl-","","","","","","","","","","","","","","","","","","","","1-Aziridinecarboxamide, N,N'-hexamethylenebis(2-methyl-","","CC1CN1C(=O)NCCCCCCNC(=O)N2CC2C","QJMVVECCBAWCLZ-UHFFFAOYSA-N","97887",NA,"PDBC09332","54059","Present"
-"1-Aziridineethanol, .alpha.(or .beta.)-ethenyl-2-methyl-...","","","","","","","","","","","","","","","","","","","","1-Aziridineethanol, .alpha.(or .beta.)-ethenyl-2-methyl-...","","","","",NA,"PDBC09333","56900","Present"
-"1-Aziridinepropionamide, N,N-diethyl-","","","","","","","","","","","","","","","","","","","","LS-23305","","CCN(CC)C(=O)CCN1CC1","CAGFHNOLWPXDGN-UHFFFAOYSA-N","57556",NA,"PDBC09334","659234","Present"
-"1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine","","","","","","","","","","","","","","","","","","","","1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine","","CC(C)(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)Br","RUXAEENIJHBTMW-UHFFFAOYSA-N","357001",NA,"PDBC09335","614570","Present"
-"1-Benzhydryl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline","","","","","","","","","","","","","","","","","","","","1-(Diphenylmethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline","","CN1CCC2=CC(=C(C=C2C1C(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC","FWQAJQNEFXJSOZ-UHFFFAOYSA-N","361533",NA,"PDBC09336","624661","Present"
-"1-Benzhydrylsulfanyl-3-(thiophen-2-ylmethylideneamino)propan-2-one","","","","","","","","","","","","","","","","","","","","1-Benzhydrylsulfanyl-3-(thiophen-2-ylmethylideneamino)propan-2-one","","C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)CN=CC3=CC=CS3","YMZIJVGRMKOGAG-UHFFFAOYSA-N","24205759",NA,"PDBC09337","736576","Present"
-"1-Benzhydrylsulfanyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]propan-2-one","","","","","","","","","","","","","","","","","","","","1-Benzhydrylsulfanyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]propan-2-one","","COC1=CC(=CC(=C1OC)OC)C=NCC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3","KYIXZYSRBGRNTN-UHFFFAOYSA-N","24205756",NA,"PDBC09338","736573","Present"
-"1-Benzhydrylsulfanyl-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propan-2-one","","","","","","","","","","","","","","","","","","","","1-Benzhydrylsulfanyl-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propan-2-one","","COC1=C(C=CC(=C1)C=NCC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)O","IAPQFLGRQCTRSS-UHFFFAOYSA-N","135580423",NA,"PDBC09339","736574","Present"
-"1-Benzo[1,3]dioxol-5-ylmethylpyrrolidine-2-carboxylic acid hydrochloride","","","","","","","","","","","","","","","","","","","","NSC108895","","C1CC(N(C1)CC2=CC3=C(C=C2)OCO3)C(=O)O.Cl","CRGITQPAELBODM-UHFFFAOYSA-N","24190467",NA,"PDBC09340","108895","Present"
-"1-Benzo[a]phenothiazin-12-yl-2-chloroethanone","","","","","","","","","","","","","","","","","","","","1-Benzo[a]phenothiazin-12-yl-2-chloroethanone","","C1=CC=C2C(=C1)C=CC3=C2N(C4=CC=CC=C4S3)C(=O)CCl","PYOAVKHMCCKUIE-UHFFFAOYSA-N","319735",NA,"PDBC09341","264938","Present"
-"1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-[1,4]diazepan-1-yl)-propan-1-one","","","","","","","","","","","","","","","","","","","","1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-[1,4]diazep...","","C1CN(CCN(C1)C2=NC3=CC=CC=C3N=C2)CCC(=O)C4=CSC5=CC=CC=C54","PLUYBLULVPKJTP-UHFFFAOYSA-N","45028192",NA,"PDBC09342","741463","Present"
-"1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-piperazin-1-yl)-propan-1-one","","","","","","","","","","","","","","","","","","","","1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-piperazin-1...","","C1CN(CCN1CCC(=O)C2=CSC3=CC=CC=C32)C4=NC5=CC=CC=C5N=C4","RXVHQMRYPZPUTQ-UHFFFAOYSA-N","45028191",NA,"PDBC09343","741462","Present"
-"1-Benzofuran-2-yl(1-benzothien-2-yl)methanol","","","","","","","","","","","","","","","","","","","","1-Benzofuran-2-yl(1-benzothien-2-yl)methanol","","C1=CC=C2C(=C1)C=C(O2)C(C3=CC4=CC=CC=C4S3)O","CDNGXHKBOAKLEQ-UHFFFAOYSA-N","379090",NA,"PDBC09344","663303","Present"
-"1-Benzofuran-2-yl(phenyl)methanone","","","","","","","","","","","","","","","","","","","","2-benzoylbenzofuran","","C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3O2","DZRJNLPOTUVETG-UHFFFAOYSA-N","95808",NA,"PDBC09345","37429","Present"
-"1-Benzothien-2-yl(2-thienyl)methanol","","","","","","","","","","","","","","","","","","","","1-Benzothien-2-yl(2-thienyl)methanol","","C1=CC=C2C(=C1)C=C(S2)C(C3=CC=CS3)O","LTSRADGWEZKGIB-UHFFFAOYSA-N","379088",NA,"PDBC09346","663301","Present"
-"1-Benzothien-2-yl(3-furyl)methanol","","","","","","","","","","","","","","","","","","","","1-Benzothien-2-yl(3-furyl)methanol","","C1=CC=C2C(=C1)C=C(S2)C(C3=COC=C3)O","BFWAPUYUYMZHAR-UHFFFAOYSA-N","379089",NA,"PDBC09347","663302","Present"
-"1-Benzothien-2-yl(3-thienyl)methanol","","","","","","","","","","","","","","","","","","","","1-Benzothien-2-yl(3-thienyl)methanol","","C1=CC=C2C(=C1)C=C(S2)C(C3=CSC=C3)O","LTDKXUBOSWUYBZ-UHFFFAOYSA-N","379087",NA,"PDBC09348","663300","Present"
-"1-Benzoyl-1H-indole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","1-Benzoyl-1H-indole-3-carbaldehyde","","C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C=O","QMNJJAQYGLNGGN-UHFFFAOYSA-N","363329",NA,"PDBC09349","628186","Present"
-"1-Benzoyl-2-benzylpiperidine-2-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Benzoyl-2-benzylpiperidine-2-carbonitrile","","C1CCN(C(C1)(CC2=CC=CC=C2)C#N)C(=O)C3=CC=CC=C3","VUAUQBHKEVSSFT-UHFFFAOYSA-N","358295",NA,"PDBC09350","618237","Present"
-"1-Benzoyl-3-(2-pyridyl)-2-thiourea","","","","","","","","","","","","","","","","","","","","9XTE4E1837","","C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2","PNBLAGJAUXZQTL-UHFFFAOYSA-N","708470",NA,"PDBC09351","176367","Present"
-"1-Benzoyl-3-[(E)-2-nitroethenyl]-1H-indole","","","","","","","","","","","","","","","","","","","","1-Benzoyl-3-[(E)-2-nitroethenyl]-1H-indole","","C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C=C[N+](=O)[O-]","ZVRNPVWKMUSAJX-ZHACJKMWSA-N","5387875",NA,"PDBC09352","629124","Present"
-"1-Benzoyl-3-nitroso-3-methylguanidine","","","","","","","","","","","","","","","","","","","","1-Benzoyl-3-nitroso-3-methylguanidine","","CN(C(=NC(=O)C1=CC=CC=C1)N)N=O","YHSOTDXSERVWSU-UHFFFAOYSA-N","388447",NA,"PDBC09353","683374","Present"
-"1-Benzoyl-4,4-diethyl-3,5-pyrazolidinedione","","","","","","","","","","","","","","","","","","","","1-Benzoyl-4,4-diethyl-3,5-pyrazolidinedione","","CCC1(C(=O)NN(C1=O)C(=O)C2=CC=CC=C2)CC","RNJLYTLOIOZXJO-UHFFFAOYSA-N","388180",NA,"PDBC09354","682745","Present"
-"1-Benzoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-Benzoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione","","C1=CC=C(C=C1)C(=O)N2C(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl","GEZMVUGKLDZIRR-UHFFFAOYSA-N","388171",NA,"PDBC09355","682736","Present"
-"1-Benzoyl-4-benzyl-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","1-Benzoyl-4-benzyl-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid ethyl ester","","CCOC(=O)C1=CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3","KKIWIJVCGPEFJJ-UHFFFAOYSA-N","402676",NA,"PDBC09356","716862","Present"
-"1-Benzoyl-4-benzyl-1,4-dihydro-4-pyridinecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 4-benzyl-1-(phenylcarbonyl)-1,4-dihydropyridine-4-carboxylate","","CCOC(=O)C1(C=CN(C=C1)C(=O)C2=CC=CC=C2)CC3=CC=CC=C3","GNDDPDFKVFHWIR-UHFFFAOYSA-N","402679",NA,"PDBC09357","716865","Present"
-"1-Benzoyl-4-tert-butylpiperidine","","","","","","","","","","","","","","","","","","","","AE-562/12222829","","CC(C)(C)C1CCN(CC1)C(=O)C2=CC=CC=C2","UVPFTRNYXLMKBI-UHFFFAOYSA-N","357556",NA,"PDBC09358","617034","Present"
-"1-Benzoyl-6-methoxy-2H-quinoline-2-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC25434","","COC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)C3=CC=CC=C3","MEKXJXIBGQRISZ-UHFFFAOYSA-N","230493",NA,"PDBC09359","25434","Present"
-"1-Benzoyl-6-methoxy-4a,6-dimethyl-3-phenyl-1,4,4a,6,7,7a-hexahydrofuro[3,2-c]pyridazine","","","","","","","","","","","","","","","","","","","","1-Benzoyl-6-methoxy-4a,6-dimethyl-3-phenyl-1,4,4a,6,7,7a-hexahydrofuro[3,2-c]pyridazine","","CC1(CC2C(O1)(CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C)OC","NLFKESWQOLYPFY-UHFFFAOYSA-N","370816",NA,"PDBC09360","644337","Present"
-"1-Benzoyl-8,8a-diphenyl-1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","1-Benzoyl-8,8a-diphenyl-1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine","","C1CN2CCN(C2(C(=N1)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","HJOKLAGCNUWNDK-UHFFFAOYSA-N","372065",NA,"PDBC09361","646931","Present"
-"1-Benzoylpiperidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","CBMicro_048354","","C1CCN(C(C1)C(=O)O)C(=O)C2=CC=CC=C2","KSWNBXOCSNHTLX-UHFFFAOYSA-N","358299",NA,"PDBC09362","618241","Present"
-"1-Benzyl 2-ethyl piperidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","ACT04856","","CCOC(=O)C1CCCCN1C(=O)OCC2=CC=CC=C2","OYIRYYMFKGTFJE-UHFFFAOYSA-N","359214",NA,"PDBC09363","619923","Present"
-"1-Benzyl 2-methyl 4-ethylidene-5-thioxo-1,2-pyrrolidinedicarboxylate","","","","","","","","","","","","","","","","","","","","1-Benzyl 2-methyl 4-ethylidene-5-thioxo-1,2-pyrrolidinedicarboxylate","","CC=C1CC(N(C1=S)C(=O)OCC2=CC=CC=C2)C(=O)OC","IIRXUQHJENBOBU-BASWHVEKSA-N","5469882",NA,"PDBC09364","693716","Present"
-"1-Benzyl 2-methyl 5-thioxo-1,2-pyrrolidinedicarboxylate","","","","","","","","","","","","","","","","","","","","1-Benzyl 2-methyl 5-thioxo-1,2-pyrrolidinedicarboxylate","","COC(=O)C1CCC(=S)N1C(=O)OCC2=CC=CC=C2","DJBJXMMKIZKHMT-UHFFFAOYSA-N","392797",NA,"PDBC09365","693718","Present"
-"1-Benzyl 5-methyl 2-(1-hydroxyethyl)-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)pentanedioate","","","","","","","","","","","","","","","","","","","","1-Benzyl 5-methyl 2-(1-hydroxyethyl)-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)pentanedioate","","CC(C(C(CC(=O)OC)N1C(C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O","XMOIYHJTZCPCDL-UHFFFAOYSA-N","373028",NA,"PDBC09366","648857","Present"
-"1-Benzyl 5-methyl 2-(1-hydroxyethyl)-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)pentanedioate","","","","","","","","","","","","","","","","","","","","1-Benzyl 5-methyl 2-(1-hydroxyethyl)-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)pentanedioate","","CC(C(C(CC(=O)OC)N1C(COC1=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)O","KETIUJUPFPSRLV-UHFFFAOYSA-N","373024",NA,"PDBC09367","648851","Present"
-"1-Benzyl 5-methyl 2-acetyl-3-(((benzyloxy)carbonyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","1-Benzyl 5-methyl 2-acetyl-3-(((benzyloxy)carbonyl)amino)pentanedioate","","CC(=O)C(C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2","PSPFLYBTFUPGPA-UHFFFAOYSA-N","373015",NA,"PDBC09368","648842","Present"
-"1-Benzyl 5-methyl 2-acetyl-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)pentanedioate","","","","","","","","","","","","","","","","","","","","1-Benzyl 5-methyl 2-acetyl-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)pentanedioate","","CC(=O)C(C(CC(=O)OC)N1C(COC1=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","GFQPDPJYPJHRKN-UHFFFAOYSA-N","373023",NA,"PDBC09369","648850","Present"
-"1-Benzyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(1,1-dimethoxyethyl)pentanedioate","","","","","","","","","","","","","","","","","","","","1-Benzyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(1,1-dimethoxyethyl)pentanedioate","","CC(C(C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)(OC)OC","AYSMXTMZYGAXMX-UHFFFAOYSA-N","373018",NA,"PDBC09370","648845","Present"
-"1-Benzyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate","","","","","","","","","","","","","","","","","","","","1-Benzyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate","","CC1(OCCO1)C(C(CC(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","SIYJQKOVDXWZSG-UHFFFAOYSA-N","373016",NA,"PDBC09371","648843","Present"
-"1-Benzyl 7-methyl 4-((diethoxyphosphoryl)oxy)-5-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-1,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","8-O-Benzyl 2-O-methyl 5-diethoxyphosphoryloxy-4-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-2,8-dicarboxylate","","CCOP(=O)(OCC)OC1C(C2=C(C=C(N2)C(=O)OC)C3=C1NC=C3C(=O)OCC4=CC=CC=C4)OC","LLKQEXVCEWRSMZ-UHFFFAOYSA-N","386820",NA,"PDBC09372","679528","Present"
-"1-Benzyl-1-[4-[benzyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-Benzyl-1-[4-[benzyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea","","C1=CC=C(C=C1)CN(CCCCN(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4","OKRXJLJYBLLTLF-UHFFFAOYSA-N","393252",NA,"PDBC09373","694879","Present"
-"1-Benzyl-1-methylphospholan-1-ium;bromide","","","","","","","","","","","","","","","","","","","","NSC616269","","C[P+]1(CCCC1)CC2=CC=CC=C2.[Br-]","IJBGLONNIPGULR-UHFFFAOYSA-M","357442",NA,"PDBC09374","616269","Present"
-"1-Benzyl-1-phenylphosphinan-1-ium;perchlorate","","","","","","","","","","","","","","","","","","","","1-Benzyl-1-phenylphosphinan-1-ium;perchlorate","","C1CC[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","CDXCOLXSCAUOGC-UHFFFAOYSA-M","24202003",NA,"PDBC09375","617042","Present"
-"1-Benzyl-1H-indole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","ALBB-001166","","C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O","OXCITQLDOUGVRZ-UHFFFAOYSA-N","262104",NA,"PDBC09376","95434","Present"
-"1-Benzyl-2-(4-phenylphenyl)indole","","","","","","","","","","","","","","","","","","","","1-Benzyl-2-(4-phenylphenyl)indole","","C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C4=CC=C(C=C4)C5=CC=CC=C5","CESKRKVVBNNSBG-UHFFFAOYSA-N","392905",NA,"PDBC09377","694087","Present"
-"1-Benzyl-2-(benzyloxy)imidazolidine","","","","","","","","","","","","","","","","","","","","1-Benzyl-2-(benzyloxy)imidazolidine","","C1CN(C(N1)OCC2=CC=CC=C2)CC3=CC=CC=C3","WFGMVJBYUYKXKC-UHFFFAOYSA-N","270389",NA,"PDBC09378","112796","Present"
-"1-Benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium","","","","","","","","","","","","","","","","","","","","1-Benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium","","CC1=NCC[N+]1(CCC2=CC=CC=C2)CC3=CC=CC=C3","DSCWRLBFIKKWFK-UHFFFAOYSA-N","413544",NA,"PDBC09379","49460","Present"
-"1-Benzyl-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-amine","","","","","","","","","","","","","","","","","","","","1-Benzyl-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-amine","","CC1CC(=NC2=CC=CC=C2N1CC3=CC=CC=C3)N","QLFCBNMLXSNGMW-UHFFFAOYSA-N","397527",NA,"PDBC09380","705836","Present"
-"1-Benzyl-2-methyl-N-(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)benzimidazol-5-amine","","","","","","","","","","","","","","","","","","","","(1-benzyl-2-methyl-1H-benzimidazol-5-yl)-(4-morpholin-4-...","","CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)N5CCOCC5)N6CCCCC6","IKCCPZGMPQBZGX-UHFFFAOYSA-N","155811451",NA,"PDBC09381","771660","Present"
-"1-Benzyl-2H-imidazol-2-ide;gold(1+)","","","","","","","","","","","","","","","","","","","","NSC652538","","C1=CC=C(C=C1)CN2C=CN=[C-]2.C1=CC=C(C=C1)CN2C=CN=[C-]2.C1=CC=C(C=C1)CN2C=CN=[C-]2.[Au+].[Au+].[Au+]","FWFLQXFBNKYHOZ-UHFFFAOYSA-N","374564",NA,"PDBC09382","652538","Present"
-"1-Benzyl-3,3-dimethoxy-2-pyrrolidinone","","","","","","","","","","","","","","","","","","","","1-Benzyl-3,3-dimethoxypyrrolidin-2-one","","COC1(CCN(C1=O)CC2=CC=CC=C2)OC","NTUHSEUTVCPMJS-UHFFFAOYSA-N","393285",NA,"PDBC09383","694950","Present"
-"1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinecarbaldehyde oxime","","","","","","","","","","","","","","","","","","","","N-Benzyl-2(S)-formyl-3(R),4(R),5(S)- tribenzyloxypiperid...///N-Benzyl-2(R)-formyl-3(R),4(R),5(S)-tribenzyloxy  piperi...","","C1C(C(C(C(N1CC2=CC=CC=C2)C=NO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","IQGGUGHLOLGMLY-XICOUIIWSA-N","9569915",NA,"PDBC09384","625417///625418","Present"
-"1-Benzyl-3,5,6-trimethyl-1H-indazole-7-carboxamide","","","","","","","","","","","","","","","","","","","","1-Benzyl-3,5,6-trimethyl-1H-indazole-7-carboxamide","","CC1=CC2=C(C(=C1C)C(=O)N)N(N=C2C)CC3=CC=CC=C3","SIXRSDKUNMONNK-UHFFFAOYSA-N","364123",NA,"PDBC09385","629792","Present"
-"1-Benzyl-3,5,6-trimethyl-1H-indazole-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-Benzyl-3,5,6-trimethyl-1H-indazole-7-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)N(N=C2C)CC3=CC=CC=C3","HNCKQOTVTKXGLG-UHFFFAOYSA-N","367593",NA,"PDBC09386","637425","Present"
-"1-Benzyl-3-(3,4-dichlorophenyl)-1-(5-methyl-4,5-dihydrothiazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-(3,4-dichlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea","","CC1CN=C(S1)N(CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl","WQNIZEQXHLTSNR-UHFFFAOYSA-N","383615",NA,"PDBC09387","672033","Present"
-"1-Benzyl-3-(3-chloro-2-methylanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-(3-chloro-2-methylanilino)-4-(4,6-dimethyl-2-...","","CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=C(C(=CC=C4)Cl)C)C","UJNGWNJTQYNXKM-UHFFFAOYSA-N","1194824",NA,"PDBC09388","743225","Present"
-"1-Benzyl-3-(3-chloro-4-methoxyanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-(3-chloro-4-methoxyanilino)-4-(4,6-dimethyl-2...","","CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=C(C=C4)OC)Cl)C","JHERQVUWCPKEKT-UHFFFAOYSA-N","1194828",NA,"PDBC09389","743215","Present"
-"1-Benzyl-3-(3-chloro-4-methylanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-(3-chloro-4-methylanilino)-4-(4,6-dimethyl-2-...","","CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C)Cl","FEHTUSJTZYDHNJ-UHFFFAOYSA-N","1194823",NA,"PDBC09390","743224","Present"
-"1-Benzyl-3-(3-chloro-4-methylanilino)-4-(4-chlorophenylsulfa nyl)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-(3-chloro-4-methylanilino)-4-(4-chlorophenyls...","","CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=CC=C(C=C4)Cl)Cl","FYPWUDQVQCZHHC-UHFFFAOYSA-N","1640207",NA,"PDBC09391","732976","Present"
-"1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-dihyd...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC(=CC=C4)O","DPCJMFSNFKZIKW-UHFFFAOYSA-N","1593709",NA,"PDBC09392","727764","Present"
-"1-Benzyl-3-(3-methylsulfanylquinolin-4-yl)sulfanyl-2,3-dihydroquinolin-4-one","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[(3-methylsulfanyl-4-quinolyl)sulfanyl]-2,3-dihydroquinolin-4-one","","CSC1=C(C2=CC=CC=C2N=C1)SC3CN(C4=CC=CC=C4C3=O)CC5=CC=CC=C5","DWCIIVYEQCOHJT-UHFFFAOYSA-N","396650",NA,"PDBC09393","703164","Present"
-"1-Benzyl-3-(4-chlorophenylsulfanyl)-4-(3-hydroxyanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-(4-chlorophenylsulfanyl)-4-(3-hydroxyanilino)...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)NC4=CC(=CC=C4)O","OIDUCOCFUZPIJM-UHFFFAOYSA-N","1593711",NA,"PDBC09394","727765","Present"
-"1-Benzyl-3-(5-chloro-2-hydroxyanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-(5-chloro-2-hydroxyanilino)-4-(4,6-dimethyl-2...","","CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=C(C=CC(=C4)Cl)O)C","ZWGOXQUHIXNDAM-UHFFFAOYSA-N","16254141",NA,"PDBC09395","743216","Present"
-"1-Benzyl-3-(thiiran-2-ylmethyl)benzimidazol-2-one","","","","","","","","","","","","","","","","","","","","CBMicro_020767","","C1C(S1)CN2C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4","RKSFZQLJGXVSBG-UHFFFAOYSA-N","374923",NA,"PDBC09396","653508","Present"
-"1-Benzyl-3-(trimethylsilyl)-2-propynyl (2-methyl-1,3-dioxolan-2-yl)acetate","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-(trimethylsilyl)-2-propynyl (2-methyl-1,3-dioxolan-2-yl)acetate","","CC1(OCCO1)CC(=O)OC(CC2=CC=CC=C2)C#C[Si](C)(C)C","JYQMZGRHGJRPSR-UHFFFAOYSA-N","394447",NA,"PDBC09397","697921","Present"
-"1-Benzyl-3-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]thiourea","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N=NC(=S)NCC2=CC=CC=C2","BVGAMZCQFDLMLK-UHFFFAOYSA-N","3004374",NA,"PDBC09398","648903","Present"
-"1-Benzyl-3-[(3-chlorophenyl)amino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-2,5-dihydro-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-(3-chloroanilino)-4-(4,6-dimethyl-2-pyrimidin...","","CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=CC=C4)Cl)C","YKGYTRMNIUWAEM-UHFFFAOYSA-N","1492226",NA,"PDBC09399","743223","Present"
-"1-Benzyl-3-[(E)-2-pyridylmethyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","AB01327238-02","","C1=CC=C(C=C1)CNC(=S)NN=CC2=CC=CC=N2","QQVHGUFLVAECFU-GZTJUZNOSA-N","6892730",NA,"PDBC09400","670969","Present"
-"1-Benzyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea","","C1=CC=C(C=C1)CNC(=S)N=CC2=C(C3=CC=CC=C3NC2=O)O","OYFCGWBGKUOPHC-RGVLZGJSSA-N","135409095",NA,"PDBC09401","657713","Present"
-"1-Benzyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea","","C1=CC=C(C=C1)CNC(=S)N=CC2=C(C3=CC=CC=C3OC2=O)O","VBYHINCHPKEAJW-RGVLZGJSSA-N","135409068",NA,"PDBC09402","657575","Present"
-"1-Benzyl-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]thiourea","","CC1=CC(=C(C(=O)O1)C=NC(=S)NCC2=CC=CC=C2)O","IMEJYIOAZGBFAI-RQZCQDPDSA-N","135409061",NA,"PDBC09403","657458","Present"
-"1-Benzyl-3-[(Z)-benzylidene]indoline-2-one","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[(Z)-benzylidene]indoline-2-one","","C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC4=CC=CC=C4)C2=O","HUWZZKFTIUIIDS-HKWRFOASSA-N","5386463",NA,"PDBC09404","611224","Present"
-"1-Benzyl-3-[1-(1-benzylindol-3-yl)-1-methyl-ethyl]indole","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[1-(1-benzylindol-3-yl)-1-methyl-ethyl]indole","","CC(C)(C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6","ZEQAMDLBQXIIDY-UHFFFAOYSA-N","361388",NA,"PDBC09405","624412","Present"
-"1-Benzyl-3-[11-[3-(benzylcarbamothioylamino)-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-3-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[11-[3-(benzylcarbamothioylamino)-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,","","C1CN(CC2=C1C3=C(SC(=NCC4=CC=CC=C4)N=C3S2)NC(=S)NCC5=CC=CC=C5)N6CCC7=C(C6)SC8=NC(=NCC9=CC=CC=C9)SC(=C78)NC(=S)NCC1=CC=CC=C1","YNPQFPYHNFIILQ-UHFFFAOYSA-N","5470738",NA,"PDBC09406","704853","Present"
-"1-Benzyl-3-[6-[2-(benzylcarbamothioylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[6-[2-(benzylcarbamothioylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea","","C1CN(CC2=C1C(=C(S2)NC(=S)NCC3=CC=CC=C3)C#N)N4CCC5=C(C4)SC(=C5C#N)NC(=S)NCC6=CC=CC=C6","TYVALYYVUQTZLU-UHFFFAOYSA-N","5470737",NA,"PDBC09407","704852","Present"
-"1-Benzyl-3-[[2-(butylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[[2-(butylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea","","CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NCC2=CC=CC=C2","WRZXDXQMWHBAKS-UHFFFAOYSA-N","3005196",NA,"PDBC09408","681626","Present"
-"1-Benzyl-3-[[2-(cyclohexylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[[2-(cyclohexylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea","","C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=S)NCC3=CC=CC=C3","SLPDUWREUUGTTF-UHFFFAOYSA-N","3005200",NA,"PDBC09409","681630","Present"
-"1-Benzyl-3-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiourea","","CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NNC(=S)NCC4=CC=CC=C4)C5=CC=C(C=C5)Cl","ZTVMUOPEACFMIT-UHFFFAOYSA-N","3001721",NA,"PDBC09410","667707","Present"
-"1-Benzyl-3-chloro-4-(2-hydroxyanilino)-2,5-py rroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-chloro-4-(2-hydroxyanilino)-2,5-dihydro-1H-2,...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3O","ASTBKPJOAZKBQG-UHFFFAOYSA-N","1554880",NA,"PDBC09411","727758","Present"
-"1-Benzyl-3-chloro-4-(3-chloro-2-methylanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-chloro-4-(3-chloro-2-methylanilino)-2,5-dihyd...","","CC1=C(C=CC=C1Cl)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl","VIVXMKANCIBFSL-UHFFFAOYSA-N","1570150",NA,"PDBC09412","727885","Present"
-"1-Benzyl-3-chloro-4-(3-chloro-4-methylanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-chloro-4-(3-chloro-4-methylanilino)-2,5-dihyd...","","CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl)Cl","RBFSDTWKOUOAPS-UHFFFAOYSA-N","1570148",NA,"PDBC09413","727756","Present"
-"1-Benzyl-3-chloro-4-(3-chloroanilino)-2,5-pyr roledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-chloro-4-(3-chloroanilino)-2,5-dihydro-1H-2,5...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)Cl","FEOZSGRUFQDKPM-UHFFFAOYSA-N","1554887",NA,"PDBC09414","727759","Present"
-"1-Benzyl-3-chloro-4-(3-hydroxy-4-methylanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-chloro-4-(3-hydroxy-4-methylanilino)-2,5-dihy...","","CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl)O","OYDRTPZEJAYELI-UHFFFAOYSA-N","1639987",NA,"PDBC09415","727976","Present"
-"1-Benzyl-3-chloro-4-(5-chloro-2-hydroxyanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-chloro-4-(5-chloro-2-hydroxyanilino)-2,5-dihy...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=C(C=CC(=C3)Cl)O","POBKRERSOBCUHZ-UHFFFAOYSA-N","1567787",NA,"PDBC09416","727760","Present"
-"1-Benzyl-3-chloro-4-[(2-hydroxy-5-methylphenyl)amino]-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-benzyl-3-chloro-4-(2-hydroxy-5-methylanilino)-2,5-dihy...","","CC1=CC(=C(C=C1)O)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl","PJRBIUKCMMJUOL-UHFFFAOYSA-N","731393",NA,"PDBC09417","727731","Present"
-"1-Benzyl-3-hexadecyl-2-methylimidazolium chloride","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-hexadecyl-2-methylimidazolium chloride","","CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[Cl-]","JFPBEFJMCFNEEH-UHFFFAOYSA-M","44219704",NA,"PDBC09418","745343","Present"
-"1-Benzyl-3-hydroxypyridinium bromide","","","","","","","","","","","","","","","","","","","","N-Benzyl-3-hydroxypyridinium bromide","","C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)O.[Br-]","JIOVVLHSCLWWBW-UHFFFAOYSA-N","376755",NA,"PDBC09419","657813","Present"
-"1-Benzyl-3-methyl-3-phenylsulfanylazetidin-2-one","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-methyl-3-phenylsulfanylazetidin-2-one","","CC1(CN(C1=O)CC2=CC=CC=C2)SC3=CC=CC=C3","XFAAWULNWAXRSA-UHFFFAOYSA-N","357712",NA,"PDBC09420","617229","Present"
-"1-Benzyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium-6-amine;bromide","","","","","","","","","","","","","","","","","","","","6-Amino-1-benzyl-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium bromide","","CC1=N[N+](=C2N1N=C(S2)N)CC3=CC=CC=C3.[Br-]","PZCFYXCFXWZNTI-UHFFFAOYSA-M","383490",NA,"PDBC09421","671877","Present"
-"1-Benzyl-3-pyrrolidinyl hydroxy(diphenyl)acetate","","","","","","","","","","","","","","","","","","","","1-Benzylpyrrolidin-3-yl 2-hydroxy-2,2-diphenylacetate","","C1CN(CC1OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CC=C4","ZOAOWHPGYZFBSH-UHFFFAOYSA-N","380023",NA,"PDBC09422","665318","Present"
-"1-Benzyl-4-((1-phenylethyl)amino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","NSC679065///NSC679066","","CC(C1=CC=CC=C1)NC2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4","VOJOIAOGBPBRML-UHFFFAOYSA-N","386612",NA,"PDBC09423","679065///679066","Present"
-"1-Benzyl-4-((2-phenylethyl)amino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","1-Benzyl-4-((2-phenylethyl)amino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","C1=CC=C(C=C1)CCNC2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4","JZNDPTJJQSJXCV-UHFFFAOYSA-N","386614",NA,"PDBC09424","679068","Present"
-"1-Benzyl-4-(1-(4-methoxyphenyl)-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine","","","","","","","","","","","","","","","","","","","","1-Benzyl-4-(1-(4-methoxyphenyl)-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine","","COC1=CC=C(C=C1)N2C(=NN=N2)C3(CCN(CC3)CC4=CC=CC=C4)NC5=CC=CC=C5","PONASFNVQVGLDB-UHFFFAOYSA-N","379866",NA,"PDBC09425","665003","Present"
-"1-Benzyl-4-(1-benzyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine","","","","","","","","","","","","","","","","","","","","1-Benzyl-4-(1-benzyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine","","C1CN(CCC1(C2=NN=NN2CC3=CC=CC=C3)NC4=CC=CC=C4)CC5=CC=CC=C5","BIEFAJJYFCAXBU-UHFFFAOYSA-N","379867",NA,"PDBC09426","665004","Present"
-"1-Benzyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","1-Benzyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile","","C1CCN(C1)C2=C(C(=S)N(C=N2)CC3=CC=CC=C3)C#N","ATETXYMCLNZPJF-UHFFFAOYSA-N","385038",NA,"PDBC09427","675891","Present"
-"1-Benzyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","1-Benzyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","CN1CCN(CC1)C2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4","VVYXEMNOMZHNFS-UHFFFAOYSA-N","386615",NA,"PDBC09428","679069","Present"
-"1-Benzyl-4-(benzylamino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","1-Benzyl-4-(benzylamino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","C1=CC=C(C=C1)CNC2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4","IHHDPAMWQWQMJC-UHFFFAOYSA-N","386616",NA,"PDBC09429","679070","Present"
-"1-Benzyl-4-(hexylamino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","1-Benzyl-4-(hexylamino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","CCCCCCNC1=NNC(=O)C2=C1N=NN2CC3=CC=CC=C3","YUAMHSCCYGKSFX-UHFFFAOYSA-N","386613",NA,"PDBC09430","679067","Present"
-"1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide","","","","","","","","","","","","","","","","","","","","MSWWMXGLWBQMNG-UHFFFAOYSA-N","","CC(C)NC1(CCN(CC1)CC2=CC=CC=C2)C(=O)N","MSWWMXGLWBQMNG-UHFFFAOYSA-N","70573",NA,"PDBC09431","73389","Present"
-"1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","B4386XQ54S","","C1CN(CCC1(C(=O)O)NC2=CC=CC=C2)CC3=CC=CC=C3","YFSCBWDAVTYIMM-UHFFFAOYSA-N","43544",NA,"PDBC09432","73748","Present"
-"1-Benzyl-4-(phenylthio)azocane","","","","","","","","","","","","","","","","","","","","1-Benzyl-4-(phenylthio)azocane","","C1CCN(CCC(C1)SC2=CC=CC=C2)CC3=CC=CC=C3","ISMYZIIEFHOJAG-UHFFFAOYSA-N","372029",NA,"PDBC09433","646845","Present"
-"1-Benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile","","","","","","","","","","","","","","","","","","","","VVMOFVNFPBAHLP-UHFFFAOYSA-N","","C1CN(CCC1(C#N)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3","VVMOFVNFPBAHLP-UHFFFAOYSA-N","70418",NA,"PDBC09434","73396","Present"
-"1-Benzyl-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate","","","","","","","","","","","","","","","","","","","","1-Benzyl-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate","","CC1=C[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C","QRBLTTVORNOKFC-UHFFFAOYSA-M","24201999",NA,"PDBC09435","617036","Present"
-"1-Benzyl-4-methyl-1-phenylphosphepan-1-ium;bromide","","","","","","","","","","","","","","","","","","","","1-Benzyl-4-methyl-1-phenylphosphepan-1-ium;bromide","","CC1CCC[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]","ULMNZSVJVFDBSO-UHFFFAOYSA-M","357562",NA,"PDBC09436","617047","Present"
-"1-Benzyl-5-[(carbamothioylamino)methyl]imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","1-Benzyl-5-[(carbamothioylamino)methyl]imidazole-4-carboxamide","","C1=CC=C(C=C1)CN2C=NC(=C2CNC(=S)N)C(=O)N","OGOBNTYUGWYGDO-UHFFFAOYSA-N","3004068",NA,"PDBC09437","625658","Present"
-"1-Benzyl-5-cyano-1H-imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","1-Benzyl-5-cyano-1H-imidazole-4-carboxamide","","C1=CC=C(C=C1)CN2C=NC(=C2C#N)C(=O)N","KZXNQWGHUTVECA-UHFFFAOYSA-N","362121",NA,"PDBC09438","625654","Present"
-"1-Benzyl-5-nitro-2H-indazol-3-one","","","","","","","","","","","","","","","","","","","","AB44974","","C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2","MWUWHJNIEUTQSJ-UHFFFAOYSA-N","384995",NA,"PDBC09439","675822","Present"
-"1-Benzyl-5-nitro-3-phenylmethoxyindazole","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-benzyloxy-5-nitro-indazole","","C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4","RUJMERFUMDLBHZ-UHFFFAOYSA-N","386338",NA,"PDBC09440","678121","Present"
-"1-Benzyl-5-phenyl-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-one","","","","","","","","","","","","","","","","","","","","1-Benzyl-5-phenyl-7-(trifluoromethyl)oxazolo[5,4-b]pyridin-2-one","","C1=CC=C(C=C1)CN2C3=C(N=C(C=C3C(F)(F)F)C4=CC=CC=C4)OC2=O","WYOZBBWCQSDKIV-UHFFFAOYSA-N","397734",NA,"PDBC09441","706157","Present"
-"1-Benzyl-6,8-bis(4-chlorophenyl)-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","","","","","","","","","","","","","","","","","","","1-Benzyl-6,8-bis(4-chlorophenyl)-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","C1=CC=C(C=C1)CN2C3(C(=O)N(C(=O)N3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)SC=N2","LGAPDRNUXCXQAP-UHFFFAOYSA-N","364473",NA,"PDBC09442","630740","Present"
-"1-Benzyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","","","","","","","","","","","","","","","","","","","1-Benzyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","C1=CC=C(C=C1)CN2C3(C(=O)N(C(=O)N3C4=CC=CC=C4)C5=CC=CC=C5)SC=N2","SYNKJCGMHUAQMQ-UHFFFAOYSA-N","364472",NA,"PDBC09443","630739","Present"
-"1-Benzyl-6-(1-naphthyl)-3,5-bis(phenylsulfonyl)-1,2,3,6-tetrahydropyridine","","","","","","","","","","","","","","","","","","","","1-Benzyl-6-(1-naphthyl)-3,5-bis(phenylsulfonyl)-1,2,3,6-tetrahydropyridine","","C1C(C=C(C(N1CC2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6","ZNQRGNUAHDHGRO-UHFFFAOYSA-N","361145",NA,"PDBC09444","623977","Present"
-"1-Benzyl-6-oxo-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","1-Benzyl-6-oxo-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile","","C1CCN(C1)C2=C(C(=O)N(C=N2)CC3=CC=CC=C3)C#N","MKNPBVIFFXEYFA-UHFFFAOYSA-N","385037",NA,"PDBC09445","675890","Present"
-"1-Benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5(1H)-one","","","","","","","","","","","","","","","","","","","","1-Benzyl-7-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin...","","C1CN2C(=O)C=C(N=C2N1CC3=CC=CC=C3)C4=CC=CC=C4","POYMHOMQISCZKL-UHFFFAOYSA-N","11460869",NA,"PDBC09446","732628","Present"
-"1-Benzyl-8-benzyloxy-quinolin-1-ium","","","","","","","","","","","","","","","","","","","","1-Benzyl-8-benzyloxy-quinolin-1-ium","","C1=CC=C(C=C1)C[N+]2=CC=CC3=C2C(=CC=C3)OCC4=CC=CC=C4.[Cl-]","IZDWMRRNRVWWOV-UHFFFAOYSA-M","372057",NA,"PDBC09447","646917","Present"
-"1-Benzyl-9-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,7-diazaspiro[4.4]nonane-2,6-dione","","","","","","","","","","","","","","","","","","","","1-Benzyl-9-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,7-diazaspiro[4.4]nonane-2,6-dione","","CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C2CNC(=O)C23CCC(=O)N3CC4=CC=CC=C4","YGBZDELKCFINNB-UHFFFAOYSA-N","6712891",NA,"PDBC09448","718572","Present"
-"1-Benzyl-N-methyl-5-sulfanyl-triazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","1-Benzyl-N-methyl-5-sulfanyl-triazole-4-carboxamide","","CNC(=O)C1=NNN(C1=S)CC2=CC=CC=C2","NUFZXXUXVLFODN-UHFFFAOYSA-N","3005219",NA,"PDBC09449","683597","Present"
-"1-Benzylidene-4-(1-naphthyl)semicarbazide","","","","","","","","","","","","","","","","","","","","1-Benzylidene-4-(1-naphthyl)semicarbazide","","C1=CC=C(C=C1)C=NNC(=O)NC2=CC=CC3=CC=CC=C32","MVEGRTOEVJPZFT-UYRXBGFRSA-N","5899597",NA,"PDBC09450","674492","Present"
-"1-Benzylpiperidine-3-thiol;hydrobromide","","","","","","","","","","","","","","","","","","","","1-Benzylpiperidine-3-thiol;hydrobromide","","C1CC(CN(C1)CC2=CC=CC=C2)S.Br","UJSALRCYMJAVKR-UHFFFAOYSA-N","5458801",NA,"PDBC09451","351112","Present"
-"1-Benzylsulfinyl-2,4-dinitrobenzene","","","","","","","","","","","","","","","","","","","","1-(Benzylsulfinyl)-2,4-dinitrobenzene","","C1=CC=C(C=C1)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","LKWVQGBAQZESOK-UHFFFAOYSA-N","275684",NA,"PDBC09452","122656","Present"
-"1-Benzylsulfonyl-2,4-dinitro-benzene","","","","","","","","","","","","","","","","","","","","1-Benzylsulfonyl-2,4-dinitro-benzene","","C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","HZFBXPDDUCZHGX-UHFFFAOYSA-N","275685",NA,"PDBC09453","122657","Present"
-"1-Bicyclo[2.2.1]hept-5-en-2-yl-2-hydroxyethanone","","","","","","","","","","","","","","","","","","","","1-Bicyclo[2.2.1]hept-5-en-2-yl-2-hydroxyethanone","","C1C2CC(C1C=C2)C(=O)CO","ZLNQXDOEGPAEBF-UHFFFAOYSA-N","362194",NA,"PDBC09454","625792","Present"
-"1-Bicyclo[3.1.1]hept-6-ylacetone semicarbazone","","","","","","","","","","","","","","","","","","","","1-Bicyclo[3.1.1]hept-6-ylacetone semicarbazone","","CC(=NNC(=O)N)CC1C2CCCC1C2","XFCNUFWXKHTDGW-NTUHNPAUSA-N","9571642",NA,"PDBC09455","694175","Present"
-"1-Bis(4-chlorophenoxy)phosphorylaziridine","","","","","","","","","","","","","","","","","","","","1-Bis(4-chlorophenoxy)phosphorylaziridine","","C1CN1P(=O)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl","FKWDRQKKGHCZMJ-UHFFFAOYSA-N","345885",NA,"PDBC09456","403801","Present"
-"1-Boc-2-Chloro-3-formyl-indole","","","","","","","","","","","","","","","","","","","","ACM180922718","","CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C=O","FXGYYINAPYFDDP-UHFFFAOYSA-N","405276",NA,"PDBC09457","722429","Present"
-"1-Bromo-2,3-dimethoxy-5-[(E)-2-nitroethenyl]benzene","","","","","","","","","","","","","","","","","","","","Benzene, 1-bromo-2,3-dimethoxy-5-(2-nitroethenyl)-","","COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])Br)OC","DVEVFGAGQYOEPX-ONEGZZNKSA-N","5858115",NA,"PDBC09458","365712","Present"
-"1-Bromo-2,4-dinitrobenzene","","","","","","","","","","","","","","","","","","","","2,4-dinitrobromobenzene","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br","PBOPJYORIDJAFE-UHFFFAOYSA-N","11441",NA,"PDBC09459","3808","Present"
-"1-Bromo-2-bromomethyl-o-carborane","","","","","","","","","","","","","","","","","","","","1-Bromo-2-bromomethyl-o-carborane","","","","",NA,"PDBC09460","676529","Present"
-"1-Bromo-2-iodo-trans-2-butene","","","","","","","","","","","","","","","","","","","","1-Bromo-2-iodo-trans-2-butene","","CC=C(CBr)I","BWGFXGKYRIWCCL-DUXPYHPUSA-N","5466664",NA,"PDBC09461","640440","Present"
-"1-Bromo-2-pentadecanone","","","","","","","","","","","","","","","","","","","","1-Bromo-2-pentadecanone","","CCCCCCCCCCCCCC(=O)CBr","VQSBLCYXZVPAIA-UHFFFAOYSA-N","125829",NA,"PDBC09462","617806","Present"
-"1-Bromo-3,6,7-trichloro-3,7-dimethyloctan-2-one","","","","","","","","","","","","","","","","","","","","1-Bromo-3,6,7-trichloro-3,7-dimethyloctan-2-one","","CC(C)(C(CCC(C)(C(=O)CBr)Cl)Cl)Cl","DVCXUKCFXDSRRN-UHFFFAOYSA-N","382939",NA,"PDBC09463","670816","Present"
-"1-Bromo-3,6-dichloro-3,7-dimethyloctan-2-one","","","","","","","","","","","","","","","","","","","","1-Bromo-3,6-dichloro-3,7-dimethyloctan-2-one","","CC(C)C(CCC(C)(C(=O)CBr)Cl)Cl","CATNWVXWJBNKHQ-UHFFFAOYSA-N","382936",NA,"PDBC09464","670813","Present"
-"1-Bromo-3-methoxycyclobutanecarbonitrile","","","","","","","","","","","","","","","","","","","","1-Bromo-3-methoxycyclobutanecarbonitrile","","COC1CC(C1)(C#N)Br","MMBDJVYDKLFTAF-UHFFFAOYSA-N","361874",NA,"PDBC09465","625196","Present"
-"1-Bromo-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene","","","","","","","","","","","","","","","","","","","","(2S,4R,10R,12S)-6-Bromo-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene","","C1=CC2=C3C(=C1)C4C(O4)C5=C(C=CC(=C53)C6C2O6)Br","DRKTVMCQLWVGFV-XUWVNRHRSA-N","397366",NA,"PDBC09466","705019","Present"
-"1-Bromo-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene","","","","","","","","","","","","","","","","","","","","(2R,4S,10R,12S)-6-Bromo-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene","","C1=CC2=C3C(=C1)C4C(O4)C5=C(C=CC(=C53)C6C2O6)Br","DRKTVMCQLWVGFV-JJXSEGSLSA-N","397367",NA,"PDBC09467","705020","Present"
-"1-Bromo-5-methoxy-2-(methoxymethoxymethyl)-4-phenylmethoxybenzene","","","","","","","","","","","","","","","","","","","","1-Bromo-5-methoxy-2-(methoxymethoxymethyl)-4-phenylmethoxybenzene","","COCOCC1=CC(=C(C=C1Br)OC)OCC2=CC=CC=C2","HEGFXKNLADAHJJ-UHFFFAOYSA-N","359389",NA,"PDBC09468","620232","Present"
-"1-Bromo-7-(dimethylamino)-3,3-diphenylheptan-2-one","","","","","","","","","","","","","","","","","","","","NSC21350","","CN(C)CCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)CBr","YLRCHBNKPCVZRP-UHFFFAOYSA-N","409480",NA,"PDBC09469","21350","Present"
-"1-Bromo-N,N-diethylethylenamine","","","","","","","","","","","","","","","","","","","","1-Bromo-N,N-diethylethylenamine","","CCN(CC)C(=C)Br","SSWZZOWQPMCHBZ-UHFFFAOYSA-N","372276",NA,"PDBC09470","647334","Present"
-"1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine","","","","","","","","","","","","","","","","","","","","1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine","","C1CCCC(CC1)NP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br","PMTRLHZAJQQSTL-UHFFFAOYSA-N","264143",NA,"PDBC09471","99060","Present"
-"1-Bromotriphenyldi(p-tolyl)cyclopenta-2,4-diene","","","","","","","","","","","","","","","","","","","","1-Bromotriphenyldi(p-tolyl)cyclopenta-2,4-diene","","CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=CC=C5)Br)C6=CC=CC=C6","AHVFYSXLAHRWAR-UHFFFAOYSA-N","369675",NA,"PDBC09472","641696","Present"
-"1-Butanesulfonamide, monomethanesulfonate","","","","","","","","","","","","","","","","","","","","1-Butanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyph...","","CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O","ACMLFRXOFKPNRH-UHFFFAOYSA-N","316348",NA,"PDBC09473","243930","Present"
-"1-Butanesulfonic acid, monosodium salt","","","","","","","","","","","","","","","","","","","","1-Butanesulfonic acid, 1-hydroxy-3-(2-methoxyethoxy)-2-o...","","CC(C(=O)C(O)S(=O)(=O)O)OCCOC.[Na+]","NNVKDHDWMRPIQN-UHFFFAOYSA-N","24182486",NA,"PDBC09474","17234","Present"
-"1-Butanone,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(1-piperidinyl)-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(1...","","CCN1C2=C(C=C(C=C2)C(=O)CCCN3CCCCC3)C4=C1C=CC(=C4)C(=O)CCCN5CCCCC5.Cl","FDABYPIQUUHCDT-UHFFFAOYSA-N","54601560",NA,"PDBC09475","292817","Present"
-"1-Butanone,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(dimethylamino)-, (E)-2-butenedioate (1:1)","","","","","","","","","","","","","","","","","","","","1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(d...","","CCN1C2=C(C=C(C=C2)C(=O)CCCN(C)C)C3=C1C=CC(=C3)C(=O)CCCN(C)C.C(=CC(=O)O)C(=O)O","PKYSXPPNWOOUNL-WLHGVMLRSA-N","20841523",NA,"PDBC09476","292816","Present"
-"1-Butanone,5-bis[4,4,4-trifluoro-3-hydroxy-2-oxo-3-(trifluoromethyl)butyl]phenyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-","","","","","","","","","","","","","","","","","","","","1-Butanone, 1-[3,5-bis[4,4,4-trifluoro-3-hydroxy-2-oxo-3...","","C1=C(C=C(C=C1CC(=O)C(C(F)(F)F)(C(F)(F)F)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O)CC(=O)C(C(F)(F)F)(C(F)(F)F)O","HGUWWQSCJRFGHZ-UHFFFAOYSA-N","294096",NA,"PDBC09477","162047","Present"
-"1-Butanoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-Butanoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione","","CCCC(=O)N1C(=O)N(C(=O)N1)C2=CC=C(C=C2)Cl","NKQXNINPHCKIJA-UHFFFAOYSA-N","388170",NA,"PDBC09478","682735","Present"
-"1-Butanoyl-4-tert-butyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-Butyryl-4-tert-butyl-1,2,4-triazolidine-3,5-dione","","CCCC(=O)N1C(=O)N(C(=O)N1)C(C)(C)C","YUQDBUAHIJJIOQ-UHFFFAOYSA-N","388174",NA,"PDBC09479","682739","Present"
-"1-Butoxy-4-(dichloromethylidene)-3,5-dimethyl-1lambda5-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","1-Butoxy-4-(dichloromethylidene)-3,5-dimethyl-1,4-dihydrophosphinine 1-oxide","","CCCCOP1(=O)C=C(C(=C(Cl)Cl)C(=C1)C)C","LGIVALBYJSDCTP-UHFFFAOYSA-N","372646",NA,"PDBC09480","648100","Present"
-"1-Butoxy-4-chloro-3-methoxy-3,5-dimethyl-2,6-dihydro-1lambda5-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","1-Butoxy-4-chloro-3-methoxy-3,5-dimethyl-1,2,3,6-tetrahydrophosphinine 1-oxide","","CCCCOP1(=O)CC(=C(C(C1)(C)OC)Cl)C","HUXGEBOFGVLCDR-UHFFFAOYSA-N","374238",NA,"PDBC09481","651733","Present"
-"1-Butoxy-4-chloro-3-methyl-1,2-dihydrophosphorin 1-oxide","","","","","","","","","","","","","","","","","","","","1-Butoxy-4-chloro-3-methyl-1,2-dihydrophosphinine 1-oxide","","CCCCOP1(=O)CC(=C(C=C1)Cl)C","QSJKCCKVFDWHLZ-UHFFFAOYSA-N","370738",NA,"PDBC09482","644258","Present"
-"1-Butyl-2-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium;iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 1-butyl-2-[2-(2,4,6-trimethoxyphenyl)etheny...","","CCCC[N+]1=C(C=CC2=CC=CC=C21)C=CC3=C(C=C(C=C3OC)OC)OC.[I-]","CCZVVSALPPSFTB-HPWRNOGASA-M","54601751",NA,"PDBC09483","263626","Present"
-"1-Butyl-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea","","","","","","","","","","","","","","","","","","","","1-Butyl-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea","","CCCCNC(=S)NN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3","GVIGEECDJRRACI-UHFFFAOYSA-N","3004440",NA,"PDBC09484","653935","Present"
-"1-Butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-Butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","CCCCNC(=S)NN=CC1=CC=CC(=N1)C","ZIBHAWZAOBJNEG-NTEUORMPSA-N","9554756",NA,"PDBC09485","673826","Present"
-"1-Butyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Butyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea","","CCCCNC(=S)N=CC1=C(C2=CC=CC=C2NC1=O)O","UGHBMZQASZAIAZ-RQZCQDPDSA-N","135409159",NA,"PDBC09486","661452","Present"
-"1-Butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea","","CCCCNC(=S)N=CC1=C(C2=CC=CC=C2OC1=O)O","XODVYTUHFYMRPW-RQZCQDPDSA-N","135409078",NA,"PDBC09487","657592","Present"
-"1-Butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]urea","","","","","","","","","","","","","","","","","","","","1-Butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]urea","","CCCCNC(=O)N=CC1=C(C2=CC=CC=C2OC1=O)O","MCTUYJBBQGGBFL-RQZCQDPDSA-N","135409039",NA,"PDBC09488","655964","Present"
-"1-Butyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-Butyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NC2CCCCC2","RPWYEFSLVRZVPI-UHFFFAOYSA-N","3005195",NA,"PDBC09489","681625","Present"
-"1-Butyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-Butyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NCC","RVUJJMVSLPWQCS-UHFFFAOYSA-N","3005194",NA,"PDBC09490","681624","Present"
-"1-Butyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-Butyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NC2=CC=CC=C2","FENDGNNVWIJQSB-UHFFFAOYSA-N","3005197",NA,"PDBC09491","681627","Present"
-"1-Butyl-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]pyrimidine-4-carbonyl]amino]urea","","","","","","","","","","","","","","","","","","","","1-Butyl-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]pyrimidine-4-carbonyl]amino]urea","","CCCCNC(=O)NNC(=O)C1=NC=NC(=C1)C=CC2=CC(=CC=C2)[N+](=O)[O-]","ZMNZOGJJPMVXLR-BQYQJAHWSA-N","5388440",NA,"PDBC09492","636121","Present"
-"1-Butyl-5-methyl-6H-pyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","1-Butyl-5-methyl-2H-pyrido[4,3-b]carbazole","","CCCCC1=C2C=C3C4=CC=CC=C4N=C3C(=C2C=CN1)C","FZAOIFFHTFFVQJ-UHFFFAOYSA-N","285250",NA,"PDBC09493","142055","Present"
-"1-Butyl-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-4-propanoylpyrrole-3-carboxamide","","","","","","","","","","","","","","","","","","","","1-Butyl-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-4-propanoylpyrrole-3-carboxamide","","CCCCN1C(=C(C(=C1C)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3Cl)C(=O)CC)C","VJSYOPVHOTZUGA-UHFFFAOYSA-N","401080",NA,"PDBC09494","713903","Present"
-"1-C-(5-Chloro-1H-benzimidazol-2-yl)pentitol","","","","","","","","","","","","","","","","","","","","NSC18719","","C1=CC2=C(C=C1Cl)NC(=N2)C(C(C(C(CO)O)O)O)O","OTJUGWIBOBZMSV-UHFFFAOYSA-N","227263",NA,"PDBC09495","18719","Present"
-"1-Carbazol-9-yl-2-(N-phenylanilino)propan-1-one","","","","","","","","","","","","","","","","","","","","1-(9H-Carbazol-9-yl)-2-(diphenylamino)propan-1-one","","CC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)N(C4=CC=CC=C4)C5=CC=CC=C5","XTPHFCYYGGEMIJ-UHFFFAOYSA-N","375091",NA,"PDBC09496","654104","Present"
-"1-Carboxycyclohexaneacetic Acid","","","","","","","","","","","","","","","","","","","","BJ25YSI2X8","","C1CCC(CC1)(CC(=O)O)C(=O)O","SDAXMMUAZRUWNL-UHFFFAOYSA-N","260003",NA,"PDBC09497","90823","Present"
-"1-Chloro-1,4,4-trimethyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","","","","","","","","","","","","","","","","","","","1-Chloro-1,4,4-trimethyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","CC1(CC2=CC=CC=C2C(C(=O)N1)(C)Cl)C","LFFIVZOKZLZXCX-UHFFFAOYSA-N","378699",NA,"PDBC09498","661751","Present"
-"1-Chloro-2,7-dimethyl-phenothiazone","","","","","","","","","","","","","","","","","","","","1-Chloro-2,7-dimethyl-phenothiazone","","CC1=CC2=C(C=C1)N=C3C(=CC(=O)C(=C3Cl)C)S2","JZMVJSFLFSCAEC-UHFFFAOYSA-N","369393",NA,"PDBC09499","641157","Present"
-"1-Chloro-2-(2-chloroethyl)-3,7,8-trimethylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Chloro-2-(2-chloroethyl)-3,7,8-trimethylpyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=N2)C#N)C)CCCl)Cl","SMOICAGOEIBYJQ-UHFFFAOYSA-N","379743",NA,"PDBC09500","664715","Present"
-"1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-chloro- 2-(...","","CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)Cl)C#N","FUFPNFLKYVGOQV-UHFFFAOYSA-N","373493",NA,"PDBC09501","649900","Present"
-"1-Chloro-2-(dibromomethyl)anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","NSC37599","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(Br)Br)Cl","ROOIMHSTHJEPGE-UHFFFAOYSA-N","235828",NA,"PDBC09502","37599","Present"
-"1-Chloro-2-nitro-5H-phenanthridin-6-one","","","","","","","","","","","","","","","","","","","","1-Chloro-2-nitrophenanthridin-6(5h)-one","","C1=CC=C2C(=C1)C3=C(C=CC(=C3Cl)[N+](=O)[O-])NC2=O","CDVPJXNXZHJRIO-UHFFFAOYSA-N","278740",NA,"PDBC09503","128635","Present"
-"1-Chloro-3-(3-chloropropylsulfonylsulfanyl)propane","","","","","","","","","","","","","","","","","","","","Disulfoxide, bis(3-chloropropyl)","","C(CSS(=O)(=O)CCCCl)CCl","YCHXMSKECUPYAH-UHFFFAOYSA-N","355643",NA,"PDBC09504","609695","Present"
-"1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","EN300-04882","","CC1=C(C2=NC3=CC=CC=C3N2C(=C1)Cl)C#N","AKFXQYMORAUSBD-UHFFFAOYSA-N","355876",NA,"PDBC09505","610507","Present"
-"1-Chloro-4-((10-((4-chlorophenyl)thio)decyl)thio)benzene","","","","","","","","","","","","","","","","","","","","1-Chloro-4-((10-((4-chlorophenyl)thio)decyl)thio)benzene","","C1=CC(=CC=C1SCCCCCCCCCCSC2=CC=C(C=C2)Cl)Cl","JFIVMFNVXWUYGJ-UHFFFAOYSA-N","371303",NA,"PDBC09506","645377","Present"
-"1-Chloro-4-((2-((10-((2-((4-chlorophenyl)thio)ethyl)thio)decyl)thio)ethyl)thio)benzene","","","","","","","","","","","","","","","","","","","","1-Chloro-4-((2-((10-((2-((4-chlorophenyl)thio)ethyl)thio)decyl)thio)ethyl)thio)benzene","","C1=CC(=CC=C1SCCSCCCCCCCCCCSCCSC2=CC=C(C=C2)Cl)Cl","QPZNMPKRDPWETA-UHFFFAOYSA-N","371313",NA,"PDBC09507","645387","Present"
-"1-Chloro-4-(2-((10-((2-(4-chlorophenoxy)ethyl)thio)decyl)thio)ethoxy)benzene","","","","","","","","","","","","","","","","","","","","1-Chloro-4-(2-((10-((2-(4-chlorophenoxy)ethyl)thio)decyl)thio)ethoxy)benzene","","C1=CC(=CC=C1OCCSCCCCCCCCCCSCCOC2=CC=C(C=C2)Cl)Cl","CRBKGACYQDNBLG-UHFFFAOYSA-N","371308",NA,"PDBC09508","645382","Present"
-"1-Chloro-4-(trichloromethylsulfonyl)benzene","","","","","","","","","","","","","","","","","","","","Trichloromethyl(4-chlorophenyl) sulfone","","C1=CC(=CC=C1S(=O)(=O)C(Cl)(Cl)Cl)Cl","PJNHKVGTQYJHKQ-UHFFFAOYSA-N","228635",NA,"PDBC09509","21715","Present"
-"1-Chloro-4-[4-[2,2-difluoro-1-(trifluoromethyl)vinyl]phenyl]benzene","","","","","","","","","","","","","","","","","","","","1-Chloro-4-[4-[2,2-difluoro-1-(trifluoromethyl)vinyl]phenyl]benzene","","C1=CC(=CC=C1C2=CC=C(C=C2)Cl)C(=C(F)F)C(F)(F)F","LFSYQUUNMYJBLK-UHFFFAOYSA-N","387085",NA,"PDBC09510","680477","Present"
-"1-Chloro-4-methyl-6-nitro-thioxanthen-9-one","","","","","","","","","","","","","","","","","","","","1-Chloro-4-methyl-6-nitro-thioxanthen-9-one","","CC1=C2C(=C(C=C1)Cl)C(=O)C3=C(S2)C=C(C=C3)[N+](=O)[O-]","MAAFWJAFQPGVAD-UHFFFAOYSA-N","391248",NA,"PDBC09511","690145","Present"
-"1-Chloro-4-{[(4-nitrobenzyl)sulfanyl]methyl}benzene","","","","","","","","","","","","","","","","","","","","1-Chloro-4-{[(4-nitrobenzyl)sulfanyl]methyl}benzene","","C1=CC(=CC=C1CSCC2=CC=C(C=C2)Cl)[N+](=O)[O-]","ZARZEUSENWTEGY-UHFFFAOYSA-N","271112",NA,"PDBC09512","114528","Present"
-"1-Chloro-5-methyl-indenopyrrol[2,3-d]pyridazine","","","","","","","","","","","","","","","","","","","","1-Chloro-5-methyl-indenopyrrol[2,3-d]pyridazine","","CN1C2=CN=NC(=C2C3=C1C4=CC=CC=C4C3)Cl","PSLSGYWESPNLET-UHFFFAOYSA-N","405931",NA,"PDBC09513","723675","Present"
-"1-Chloro-7-methoxy-4-nitro-10H-acridin-9-one","","","","","","","","","","","","","","","","","","","","1-Chloro-7-methoxy-4-nitro-9(10H)acridone","","COC1=CC2=C(C=C1)NC3=C(C=CC(=C3C2=O)Cl)[N+](=O)[O-]","WUQQKUISNKRKFK-UHFFFAOYSA-N","438231",NA,"PDBC09514","627169","Present"
-"1-Chloro-7-methyl-phenothiazone","","","","","","","","","","","","","","","","","","","","1-Chloro-7-methyl-phenothiazone","","CC1=CC2=C(C=C1)N=C3C(=CC(=O)C=C3Cl)S2","GCJIMLPITVEZGE-UHFFFAOYSA-N","369385",NA,"PDBC09515","641149","Present"
-"1-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","1-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)Cl)C","SUFOQDSJJKRXLY-UHFFFAOYSA-N","365401",NA,"PDBC09516","633021","Present"
-"1-Chloro-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","1-Chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)Cl)C","GUCDEDOURGCGRO-UHFFFAOYSA-N","365422",NA,"PDBC09517","633042","Present"
-"1-Chloroethanone O-[(4-methylphenylamino)carbonyl]oxime","","","","","","","","","","","","","","","","","","","","NSC672039","","CC1=CC=C(C=C1)NC(=O)ON=C(C)Cl","NRJKJMFPUGFIKJ-MDWZMJQESA-N","5466015",NA,"PDBC09518","672039","Present"
-"1-Cinnamoylpiperidine","","","","","","","","","","","","","","","","","","","","1-cinnamoylpiperidine","","C1CCN(CC1)C(=O)C=CC2=CC=CC=C2","KNOXUMZPTHELAO-MDZDMXLPSA-N","764160",NA,"PDBC09519","10411","Present"
-"1-Cuban-1-yl-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","1-Cuban-1-yl-1,2,4-triazole","","C1=NN(C=N1)C23C4C5C2C6C5C4C36","RRNLBIYRVBRAKL-UHFFFAOYSA-N","383856",NA,"PDBC09520","672598","Present"
-"1-Cuban-1-ylimidazole","","","","","","","","","","","","","","","","","","","","1-Cuban-1-ylimidazole","","C1=CN(C=N1)C23C4C5C2C6C5C4C36","KFEMNBRDYUWMCE-UHFFFAOYSA-N","383853",NA,"PDBC09521","672595","Present"
-"1-Cuban-1-ylpyrazole","","","","","","","","","","","","","","","","","","","","1-Cuban-1-ylpyrazole","","C1=CN(N=C1)C23C4C5C2C6C5C4C36","MPHFOXPZIDRBGV-UHFFFAOYSA-N","383858",NA,"PDBC09522","672600","Present"
-"1-Cyano-2,3,7-triaza-bicyclo[3.3.0]oct-2-ene","","","","","","","","","","","","","","","","","","","","1-Cyano-2,3,7-triaza-bicyclo[3.3.0]oct-2-ene","","C1C2CN=NC2(CN1)C#N","QHGMOEAFLAPJQX-UHFFFAOYSA-N","386770",NA,"PDBC09523","679449","Present"
-"1-Cyano-2-(2-hydroxyethyl)guanidine","","","","","","","","","","","","","","","","","","","","N-Cyano-N'-(2-hydroxyethyl)guanidine","","C(CO)N=C(N)NC#N","IIXXKZSXDZZOBL-UHFFFAOYSA-N","370389",NA,"PDBC09524","643483","Present"
-"1-Cyano-2-(propan-2-yloxymethyl)guanidine","","","","","","","","","","","","","","","","","","","","NSC643471","","CC(C)OCN=C(N)NC#N","HXAVXAJXDCCQRS-UHFFFAOYSA-N","5465264",NA,"PDBC09525","643471","Present"
-"1-Cyano-2-propylguanidine","","","","","","","","","","","","","","","","","","","","A311","","CCCN=C(N)NC#N","QIGXZTUCWRZELB-UHFFFAOYSA-N","370386",NA,"PDBC09526","643480","Present"
-"1-Cyano-3-(1-diethoxyphosphoryl-1-methyl-propyl)guanidine","","","","","","","","","","","","","","","","","","","","1-Cyano-3-(1-diethoxyphosphoryl-1-methyl-propyl)guanidine","","CCC(C)(N=C(N)NC#N)P(=O)(OCC)OCC","VHCXTAABHIDZBZ-UHFFFAOYSA-N","9571477",NA,"PDBC09527","670094","Present"
-"1-Cyano-3-(1-methylethyl)guanidine","","","","","","","","","","","","","","","","","","","","5DW6SBV5M9","","CC(C)N=C(N)NC#N","SRUGWSFEPMKUAK-UHFFFAOYSA-N","370391",NA,"PDBC09528","643485","Present"
-"1-Cyano-3-[[(N-cyanocarbamimidoyl)amino]methyl]guanidine","","","","","","","","","","","","","","","","","","","","1-Cyano-3-[[(N-cyanocarbamimidoyl)amino]methyl]guanidine","","C(N=C(N)NC#N)N=C(N)NC#N","QFDNSPMISJTMAO-UHFFFAOYSA-N","9571329",NA,"PDBC09529","643474","Present"
-"1-Cyano-7-allyl-2,7-triazabicyclo[3.3.0]oct-2-ene hydrobromide","","","","","","","","","","","","","","","","","","","","1-Cyano-7-allyl-2,3,7-triazabicyclo[3.3.0]oct-2-ene hydr...","","C=CCN1CC2CN=NC2(C1)C#N.Br","QABJAGRESOOBJN-UHFFFAOYSA-N","386771",NA,"PDBC09530","679450","Present"
-"1-Cyano-N-(3,4-dichlorophenyl)methanethioamide","","","","","","","","","","","","","","","","","","","","NCIMech_000540","","C1=CC(=C(C=C1NC(=S)C#N)Cl)Cl","XEAWQNNNRNFJJT-UHFFFAOYSA-N","3812779",NA,"PDBC09531","379531","Present"
-"1-Cyano-N-(4-fluorophenyl)methanethioamide","","","","","","","","","","","","","","","","","","","","Maybridge4_002930","","C1=CC(=CC=C1NC(=S)C#N)F","BRBRUGYQTAGYPY-UHFFFAOYSA-N","2725906",NA,"PDBC09532","369317","Present"
-"1-Cyclododecyl-1h-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-Cyclododecyl-1h-pyrrole-2,5-dione","","C1CCCCCC(CCCCC1)N2C(=O)C=CC2=O","MHEFNZSCICKHDS-UHFFFAOYSA-N","282944",NA,"PDBC09533","137055","Present"
-"1-Cyclohexanol,5-bis(4-methylphenyl)-1-(2-pyridinyl)-2,4-bis[(2-pyridinyl)carbonyl]-","","","","","","","","","","","","","","","","","","","","1-Cyclohexanol, 3,5-bis(4-methylphenyl)- 1-(2-pyridinyl)...","","CC1=CC=C(C=C1)C2CC(C(C(C2C(=O)C3=CC=CC=N3)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=N5)(C6=CC=CC=N6)O","CAPDECHEGWJVHC-ZABQXUKZSA-N","397598",NA,"PDBC09534","705939","Present"
-"1-Cyclohexyl-2-(cyclohexylimino)-3-phenyl-5-(phenylimino)-4-imidazolidinethione","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-2-(cyclohexylimino)-3-phenyl-5-(phenylimino)-4-imidazolidinethione","","C1CCC(CC1)N=C2N(C(=NC3=CC=CC=C3)C(=S)N2C4=CC=CC=C4)C5CCCCC5","MNMLCBGBFTUNHW-UHFFFAOYSA-N","383289",NA,"PDBC09535","671402","Present"
-"1-Cyclohexyl-3,7-dihydropurine-2,6-dione","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3,7-dihydropurine-2,6-dione","","C1CCC(CC1)N2C(=O)C3=C(NC2=O)N=CN3","SOLCMMIACKJYNI-UHFFFAOYSA-N","391124",NA,"PDBC09536","689742","Present"
-"1-Cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide","","","","","","","","","","","","","","","","","","","","1-Cmec","","C1CCC(CC1)N=C=NCCN2CCOCC2","XNPOFXIBHOVFFH-UHFFFAOYSA-N","84998",NA,"PDBC09537","163986","Present"
-"1-Cyclohexyl-3-[(7-methyl-4-oxo-1H-1,8-naphthyridine-3-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[(7-methyl-4-oxo-1H-1,8-naphthyridine-3-carbonyl)amino]thiourea","","CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)NNC(=S)NC3CCCCC3","RUALMECKZQXYHX-UHFFFAOYSA-N","5470961",NA,"PDBC09538","706820","Present"
-"1-Cyclohexyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","CC1=NC(=CC=C1)C=NNC(=S)NC2CCCCC2","UGJAURNWOLHLMV-XNTDXEJSSA-N","9571907",NA,"PDBC09539","670782","Present"
-"1-Cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea","","C1CCC(CC1)NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","QRVOKRYDDPQVGY-RELWKKBWSA-N","5871897",NA,"PDBC09540","689540","Present"
-"1-Cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]urea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]urea","","C1CCC(CC1)NC(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","KCJGZAKCBNMUIK-RELWKKBWSA-N","6179448",NA,"PDBC09541","689539","Present"
-"1-Cyclohexyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea","","C1CCC(CC1)NC(=S)N=CC2=C(C3=CC=CC=C3NC2=O)O","HJKCZAMCJBOXIR-VCHYOVAHSA-N","135409079",NA,"PDBC09542","657595","Present"
-"1-Cyclohexyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]urea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]urea","","C1CCC(CC1)NC(=O)N=CC2=C(C3=CC=CC=C3OC2=O)O","LLUAAMMGLQMAEZ-VCHYOVAHSA-N","135409040",NA,"PDBC09543","655965","Present"
-"1-Cyclohexyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea","","C1CCC(CC1)NC(=S)N=NC2=C(N(C3=C2C=C(C=C3)[N+](=O)[O-])CN4CCOCC4)O","IYAWXWZNWMCOFC-UHFFFAOYSA-N","135426764",NA,"PDBC09544","716769","Present"
-"1-Cyclohexyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea","","C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(=C4CC5=CC=CC=C5C4=N3)C6=CC=CS6","XLUBDOGELRJOOC-UHFFFAOYSA-N","24204749",NA,"PDBC09545","732730","Present"
-"1-Cyclohexyl-3-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]thiourea","","CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)NC(=S)NC4CCCCC4","UKZMJWGIRWFLGM-UHFFFAOYSA-N","5470589",NA,"PDBC09546","703136","Present"
-"1-Cyclohexyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=S)NC3CCCCC3","ZDIZCNVVSWLBPD-UHFFFAOYSA-N","3005199",NA,"PDBC09547","681629","Present"
-"1-Cyclohexyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","CCNC(=S)NNC(=O)C1=CSC(=N1)NC(=S)NC2CCCCC2","IHSODJFLMAGOIR-UHFFFAOYSA-N","3005198",NA,"PDBC09548","681628","Present"
-"1-Cyclohexyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea","","C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=S)NC3=CC=CC=C3","ICIOLENURHFNRO-UHFFFAOYSA-N","3005201",NA,"PDBC09549","681631","Present"
-"1-Cyclohexyl-3-[4-[3-(4-methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[4-[3-(4-methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea","","CC1=CC=C(C=C1)C2C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6CCCCC6","YVNGBACONKSVJM-UHFFFAOYSA-N","24204760",NA,"PDBC09550","732742","Present"
-"1-Cyclohexyl-3-[4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea","","CC1=CC=C(C=C1)C2=C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6CCCCC6","UYMZRFBLNKXCJY-UHFFFAOYSA-N","24204770",NA,"PDBC09551","732752","Present"
-"1-Cyclohexyl-4-(2-phenylhydrazino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-4-(2-phenylhydrazino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","C1CCC(CC1)N2C3=C(C(=NNC3=O)NNC4=CC=CC=C4)N=N2","PJZMKRGAKUSSBV-UHFFFAOYSA-N","386617",NA,"PDBC09552","679071","Present"
-"1-Cyclohexyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","CN1CCN(CC1)C2=NNC(=O)C3=C2N=NN3C4CCCCC4","CBKVJEDOWJQSFM-UHFFFAOYSA-N","386620",NA,"PDBC09553","679074","Present"
-"1-Cyclohexyl-5-hydroxy-triazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-5-oxo-2H-triazole-4-carbonitrile","","C1CCC(CC1)N2C(=O)C(=NN2)C#N","XATZZTADHHQSBC-UHFFFAOYSA-N","388859",NA,"PDBC09554","684053","Present"
-"1-Cyclohexyl-N-methyl-5-sulfanyl-triazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-N-methyl-5-sulfanyl-triazole-4-carboxamide","","CNC(=O)C1=NNN(C1=S)C2CCCCC2","DQFFMRIBBIEBFE-UHFFFAOYSA-N","3005250",NA,"PDBC09555","686651","Present"
-"1-Cyclooctyl-1H-indene; iridium; trimethylphosphane","","","","","","","","","","","","","","","","","","","","1-Cyclooctyl-1H-indene; iridium; trimethylphosphane","","","","",NA,"PDBC09556","625571","Present"
-"1-Cyclopropyl-2-(2-methoxyphenyl)quinolin-4-one","","","","","","","","","","","","","","","","","","","","1-Cyclopropyl-2-(2-methoxyphenyl)quinolin-4(1h)-one","","COC1=CC=CC=C1C2=CC(=O)C3=CC=CC=C3N2C4CC4","CHZBNGCXOVADFT-UHFFFAOYSA-N","404619",NA,"PDBC09557","721047","Present"
-"1-Cyclopropyl-2-(4-hydroxyphenyl)quinolin-4-one","","","","","","","","","","","","","","","","","","","","1-Cyclopropyl-2-(4-hydroxyphenyl)quinolin-4(1h)-one","","C1CC1N2C3=CC=CC=C3C(=O)C=C2C4=CC=C(C=C4)O","SJLOFCAANZHMOX-UHFFFAOYSA-N","404618",NA,"PDBC09558","721046","Present"
-"1-Cyclopropyl-2-diethoxyphosphorylethanone","","","","","","","","","","","","","","","","","","","","Diethyl 2-cyclopropyl-2-oxoethylphosphonate","","CCOP(=O)(CC(=O)C1CC1)OCC","MEOUMIDMNOIQIQ-UHFFFAOYSA-N","380811",NA,"PDBC09559","666531","Present"
-"1-Cyclopropyl-3-[4-[4-(cyclopropylcarbamoylamino)-3-methoxyphenyl]-2-methoxyphenyl]urea","","","","","","","","","","","","","","","","","","","","1,1'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(3-cyclopropyl...","","COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)NC3CC3)OC)NC(=O)NC4CC4","XGOGMONLNQBDKN-UHFFFAOYSA-N","334739",NA,"PDBC09560","341196","Present"
-"1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-phenylthiazol-2-yl...","","C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NC5=NC(=CS5)C6=CC=CC=C6)F)C(=O)O","QNQRPDOWTOJQAL-UHFFFAOYSA-N","155815344",NA,"PDBC09561","783681","Present"
-"1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[2-oxo-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]anilino]ethyl]piperazin-1-yl]quinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-Cyclopropyl-6-fluoro-4-oxo-7-[4-({4-[3-(3,4,5-trimetho...","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","KIEMZWYZHOUAKS-NYYWCZLTSA-N","73349440",NA,"PDBC09562","764906","Present"
-"1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enoyl]anilino]ethyl]piperazin-1-yl]quinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-Cyclopropyl-6-fluoro-4-oxo-7-(4-{[4-(3-phenyl-acryloyl...","","C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(=O)NC5=CC=C(C=C5)C(=O)C=CC6=CC=CC=C6)F)C(=O)O","CISWBUKGCQINLS-AWNIVKPZSA-N","73357038",NA,"PDBC09563","764903","Present"
-"1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[phenyl-(4-phenyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(4-(N-phenyl-N-(4-phenylthiazol-2-yl)carbamoyl)piperaz...","","C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)N(C5=CC=CC=C5)C6=NC(=CS6)C7=CC=CC=C7)F)C(=O)O","NWACKDXMZYWPNJ-UHFFFAOYSA-N","155805699",NA,"PDBC09564","797014","Present"
-"1-Cyclopropyl-6-fluoro-7-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-cyclopropyl-6-fluoro-4-oxo-7-(4-(2-oxo-2-((4-(p-tolyl)...","","CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","GLSUFJNLOUOCJO-UHFFFAOYSA-N","155807009",NA,"PDBC09565","784082","Present"
-"1-Cyclopropyl-6-fluoro-7-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylcarbamoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(4-(N-(4-(4-methoxyphenyl)thiazol-2-yl)-N-phenylcarbam...","","COC1=CC=C(C=C1)C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)C7CC7)F","ICCYSSJOBJINAJ-UHFFFAOYSA-N","155814930",NA,"PDBC09566","797017","Present"
-"1-Cyclopropyl-6-fluoro-7-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-cyclopropyl-6-fluoro-7-(4-((4-(4-methoxyphenyl)thiazol...","","COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","ZFMVDELCCYOQOS-UHFFFAOYSA-N","155814941",NA,"PDBC09567","783683","Present"
-"1-Cyclopropyl-6-fluoro-7-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylcarbamoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(4-(N-phenyl-N-(4-p-tolylthiazol-2-yl)carbamoyl)pipera...","","CC1=CC=C(C=C1)C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)C7CC7)F","AYAIZPXXZQPXAI-UHFFFAOYSA-N","155808788",NA,"PDBC09568","797016","Present"
-"1-Cyclopropyl-6-fluoro-7-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-(p-tolyl)thiazol-2...","","CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","PMLSVERAMZAKCS-UHFFFAOYSA-N","155810298",NA,"PDBC09569","784085","Present"
-"1-Cyclopropyl-7,8-dimethoxy-3-methyl-4,5-dihydro-1H-2,3-benzoxazepine","","","","","","","","","","","","","","","","","","","","1-Cyclopropyl-7,8-dimethoxy-3-methyl-4,5-dihydro-1H-2,3-benzoxazepine","","CN1CCC2=CC(=C(C=C2C(O1)C3CC3)OC)OC","YMUVNYBVMNPMIL-UHFFFAOYSA-N","383923",NA,"PDBC09570","672879","Present"
-"1-Cyclopropyl-7-[4-[ethenyl-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(4-(N-(4-(4-methoxyphenyl)thiazol-2-yl)-N-vinylcarbamo...","","COC1=CC=C(C=C1)C2=CSC(=N2)N(C=C)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","ZEXMETYIEDQPLY-UHFFFAOYSA-N","155817229",NA,"PDBC09571","803324","Present"
-"1-Cyclopropyl-7-[4-[ethenyl-[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(4-(N-(4-p-tolylthiazol-2-yl)-N-vinylcarbamoyl)piperaz...","","CC1=CC=C(C=C1)C2=CSC(=N2)N(C=C)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","ZFOZSSWLXODTHG-UHFFFAOYSA-N","155814218",NA,"PDBC09572","803323","Present"
-"1-Cyclopropyl-7-[4-[ethyl-(4-phenyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(4-(N-ethyl-N-(4-phenylthiazol-2-yl)carbamoyl)piperazi...","","CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","CPVCSPNQIZVJMY-UHFFFAOYSA-N","155816852",NA,"PDBC09573","797010","Present"
-"1-Cyclopropyl-7-[4-[ethyl-[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(4-(N-ethyl-N-(4-p-tolylthiazol-2-yl)carbamoyl)piperaz...","","CCN(C1=NC(=CS1)C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","RFIIUOFJCQYJPL-UHFFFAOYSA-N","155807033",NA,"PDBC09574","797012","Present"
-"1-Decyl-2-[(E)-2-[4-[(E)-2-(1-decylpyrrol-2-yl)vinyl]phenyl]vinyl]pyrrole","","","","","","","","","","","","","","","","","","","","1-Decyl-2-[(E)-2-[4-[(E)-2-(1-decylpyrrol-2-yl)vinyl]phenyl]vinyl]pyrrole","","CCCCCCCCCCN1C=CC=C1C=CC2=CC=C(C=C2)C=CC3=CC=CN3CCCCCCCCCC","HZKBJPQYZIPFAV-QAVVBOBSSA-N","5871730",NA,"PDBC09575","627865","Present"
-"1-Decyl-3-methylimidazolium chloride","","","","","","","","","","","","","","","","","","","","1-Decyl-3-methylimidazolium chloride","","CCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]","HTZVLLVRJHAJJF-UHFFFAOYSA-M","2734225",NA,"PDBC09576","747267","Present"
-"1-Decyl-3-methylimidazolium tetrafluoroborate","","","","","","","","","","","","","","","","","","","","1-Decyl-3-methylimidazolium tetrafluoroborate","","","","",NA,"PDBC09577","747268","Present"
-"1-Deoxymannojirimycin hydrochloride","","","","","","","","","","","","","","","","","","","","1-Deoxymannojirimycin hydrochloride","","C1C(C(C(C(N1)CO)O)O)O.Cl","ZJIHMALTJRDNQI-AORFWEALSA-N","361795",NA,"PDBC09578","625109","Present"
-"1-Deoxynojirimycin hydrochloride","","","","","","","","","","","","","","","","","","","","D-Galactitol, 1,5-dideoxy-1,5-imino","","C1C(C(C(C(N1)CO)O)O)O.Cl","ZJIHMALTJRDNQI-UHFFFAOYSA-N","377339",NA,"PDBC09579","658776","Present"
-"1-Di(propan-2-yloxy)phosphoryl-N'-[2-[[di(propan-2-yloxy)phosphoryl-[2-(2-nitrophenyl)hydrazinyl]methylidene]amino]ethyl]-N-(2-nitroanilino)methanimidamide","","","","","","","","","","","","","","","","","","","","1-Di(propan-2-yloxy)phosphoryl-N'-[2-[[di(propan-2-yloxy)phosphoryl-[2-(2-nitrophenyl)hydrazinyl]methylidene]amino]ethyl]-N-(2-nitroanilino)methanimidamide","","CC(C)OP(=O)(C(=NCCN=C(NNC1=CC=CC=C1[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)NNC2=CC=CC=C2[N+](=O)[O-])OC(C)C","GBJBLGMDIJTXBG-UHFFFAOYSA-N","3753275",NA,"PDBC09580","652150","Present"
-"1-Di(propan-2-yloxy)phosphoryl-N'-[4-[[di(propan-2-yloxy)phosphoryl-[2-(4-nitrophenyl)hydrazinyl]methylidene]amino]phenyl]-N-(4-nitroanilino)methanimidamide","","","","","","","","","","","","","","","","","","","","1-Di(propan-2-yloxy)phosphoryl-N'-[4-[[di(propan-2-yloxy)phosphoryl-[2-(4-nitrophenyl)hydrazinyl]methylidene]amino]phenyl]-N-(4-nitroanilino)methanimidamide","","CC(C)OP(=O)(C(=NC1=CC=C(C=C1)N=C(NNC2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)NNC3=CC=C(C=C3)[N+](=O)[O-])OC(C)C","PSMXAXDCBZSGFU-UHFFFAOYSA-N","3838849",NA,"PDBC09581","652151","Present"
-"1-Diazo-N,N-dimethylmethanamine","","","","","","","","","","","","","","","","","","","","1-Diazo-N,N-dimethylmethanamine","","CN(C)C=[N+]=[N-]","MMJYLJKGUBUPHI-UHFFFAOYSA-N","358305",NA,"PDBC09582","618267","Present"
-"1-Dibenzofuran-3-yl-2-piperidin-2-ylethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC90630","","C1CCNC(C1)CC(C2=CC3=C(C=C2)C4=CC=CC=C4O3)O.Cl","INWLZHAFOKWTEP-UHFFFAOYSA-N","54602473",NA,"PDBC09583","90630","Present"
-"1-Diethoxyphosphoryl-2-(3,4-dimethoxyphenyl)ethanamine;oxalic acid","","","","","","","","","","","","","","","","","","","","NSC669580","","CCOP(=O)(C(CC1=CC(=C(C=C1)OC)OC)N)OCC.C(=O)(C(=O)O)O","HMHYQTSVCWGRQX-UHFFFAOYSA-N","382134",NA,"PDBC09584","669580","Present"
-"1-Diisopropoxyphosphoryl-N'-ethyl-N-(4-nitroanilino)formamidine","","","","","","","","","","","","","","","","","","","","1-Diisopropoxyphosphoryl-N'-ethyl-N-(4-nitroanilino)formamidine","","CCN=C(NNC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C","WWFSAEPFJADFMY-UHFFFAOYSA-N","3696505",NA,"PDBC09585","652140","Present"
-"1-Diisopropoxyphosphoryl-N-(4-nitroanilino)formamidine","","","","","","","","","","","","","","","","","","","","STK528672","","CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])N)OC(C)C","KLZIGZPOZJXGHZ-UHFFFAOYSA-N","9555948",NA,"PDBC09586","652138","Present"
-"1-Diisopropoxyphosphoryl-N-[2-[(E)-[diisopropoxyphosphoryl-[2-(4-nitrophenyl)hydrazino]methylene]amino]ethyl]-N'-(4-nitroanilino)formamidine","","","","","","","","","","","","","","","","","","","","1-Di(propan-2-yloxy)phosphoryl-N'-[2-[[di(propan-2-yloxy)phosphoryl-[2-(4-nitrophenyl)hydrazinyl]methylidene]amino]ethyl]-N-(4-nitroanilino)methanimidamide","","CC(C)OP(=O)(C(=NCCN=C(NNC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)NNC2=CC=C(C=C2)[N+](=O)[O-])OC(C)C","UUCVCDGQOYSCGU-UHFFFAOYSA-N","3303944",NA,"PDBC09587","652149","Present"
-"1-Dimethoxyphosphoryl-2-(1H-indol-3-yl)ethanamine","","","","","","","","","","","","","","","","","","","","1-Dimethoxyphosphoryl-2-(1H-indol-3-yl)ethanamine","","COP(=O)(C(CC1=CNC2=CC=CC=C21)N)OC","JWIPRQFWGXJFFN-UHFFFAOYSA-N","382173",NA,"PDBC09588","669632","Present"
-"1-Dimethoxyphosphoryl-3-methoxypropan-2-one","","","","","","","","","","","","","","","","","","","","1-Dimethoxyphosphoryl-3-methoxypropan-2-one","","COCC(=O)CP(=O)(OC)OC","SMGURJQPNXWSTL-UHFFFAOYSA-N","359298",NA,"PDBC09589","620045","Present"
-"1-Dimethoxyphosphoryl-3-methylbutan-1-ol","","","","","","","","","","","","","","","","","","","","1-Dimethoxyphosphoryl-3-methyl-butan-1-ol","","CC(C)CC(O)P(=O)(OC)OC","FTUKQBLLYLQTDG-UHFFFAOYSA-N","397394",NA,"PDBC09590","705135","Present"
-"1-Dimethoxyphosphoryl-3-methylsulfanylpropan-1-amine;oxalic acid","","","","","","","","","","","","","","","","","","","","NSC669692","","COP(=O)(C(CCSC)N)OC.C(=O)(C(=O)O)O","TUIIBEYEGWYYJF-UHFFFAOYSA-N","382238",NA,"PDBC09591","669692","Present"
-"1-Dimethoxyphosphoryl-7-methoxyheptan-2-one","","","","","","","","","","","","","","","","","","","","RADNLYZNRNNWSG-UHFFFAOYSA-N","","COCCCCCC(=O)CP(=O)(OC)OC","RADNLYZNRNNWSG-UHFFFAOYSA-N","357802",NA,"PDBC09592","617330","Present"
-"1-Dimethoxyphosphorylhexadecane","","","","","","","","","","","","","","","","","","","","KCGQAMHRYDCPDN-UHFFFAOYSA-N","","CCCCCCCCCCCCCCCCP(=O)(OC)OC","KCGQAMHRYDCPDN-UHFFFAOYSA-N","362904",NA,"PDBC09593","627379","Present"
-"1-Dimethoxyphosphorylhexane","","","","","","","","","","","","","","","","","","","","1-Dimethoxyphosphorylhexane","","CCCCCCP(=O)(OC)OC","IUZXGJKDSGEWCQ-UHFFFAOYSA-N","362902",NA,"PDBC09594","627377","Present"
-"1-Dimethoxyphosphoryltridecane","","","","","","","","","","","","","","","","","","","","1-Dimethoxyphosphoryltridecane","","CCCCCCCCCCCCCP(=O)(OC)OC","NAZJVRRWZYFXND-UHFFFAOYSA-N","362903",NA,"PDBC09595","627378","Present"
-"1-Dimethylamino-3-naphthalen-1-yl-imidazolidine-2,4,5-trione","","","","","","","","","","","","","","","","","","","","1-Dimethylamino-3-naphthalen-1-yl-imidazolidine-2,4,5-trione","","CN(C)N1C(=O)C(=O)N(C1=O)C2=CC=CC3=CC=CC=C32","IITQIBZXVKLRSK-UHFFFAOYSA-N","379234",NA,"PDBC09596","663648","Present"
-"1-Dimethylamino-cyclopropanecarboxylic acid hydrochloride","","","","","","","","","","","","","","","","","","","","NSC677916","","CN(C)C1(CC1)C(=O)O.Cl","BJKXIXAVBVXJDW-UHFFFAOYSA-N","386198",NA,"PDBC09597","677916","Present"
-"1-Dimethylaminomethyl2-hydroxy-5-(4-methoxy-phenyl)-11,6]cyclohepta[1,2-b]indol-6-one","","","","","","","","","","","","","","","","","","","","1-Dimethylaminomethyl2-hydroxy-5-(4-methoxy-phenyl)-11,1...","","CC1=CC2=C(C3=C(N2C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5CC3)C(=C1O)CN(C)C","VAUVZWHHGDLDKS-UHFFFAOYSA-N","24205420",NA,"PDBC09598","735470","Present"
-"1-Dimethylaminomethylen-2-hydroxy-5-p-tolyl-11,6]cyclohepta[1,2-b]indol-6-one","","","","","","","","","","","","","","","","","","","","1-dimethylaminomethylen-2-hydroxy-5-p-tolyl-11,12-dihydr...","","CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN(C)C","ACYYOWCBFNMXMX-UHFFFAOYSA-N","24205418",NA,"PDBC09599","735468","Present"
-"1-Dodecyl-2-methylbenzimidazole hydrobromide","","","","","","","","","","","","","","","","","","","","benzimidazole, 1-dodecyl-2-methyl-, hydrobromide","","CCCCCCCCCCCCN1C(=NC2=CC=CC=C21)C.Br","CKBXLKPOHHDMRJ-UHFFFAOYSA-N","3027338",NA,"PDBC09600","10018","Present"
-"1-Dodecyl-4-methyl-1,4-diazoniabicyclo[2.2.2]octane;iodide","","","","","","","","","","","","","","","","","","","","1-Dodecyl-4-methyl-1,4-diazoniabicyclo[2.2.2]octane;iodide","","CCCCCCCCCCCC[N+]12CC[N+](CC1)(CC2)C.[I-]","TYIXLSIUPARBPD-UHFFFAOYSA-M","373080",NA,"PDBC09601","649000","Present"
-"1-Dodecyl-4-nonylpyridinium chloride","","","","","","","","","","","","","","","","","","","","1-DODECYL-4-NONYLPYRIDINIUM CHLORIDE","","CCCCCCCCCCCC[N+]1=CC=C(C=C1)CCCCCCCCC.[Cl-]","LPAFDDIIVPMWRB-UHFFFAOYSA-M","24180869",NA,"PDBC09602","2012","Present"
-"1-Dodecylpyridinium chloride","","","","","","","","","","","","","","","","","","","","n-Laurylpyridinium chloride","","CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]","GKQHIYSTBXDYNQ-UHFFFAOYSA-M","7717",NA,"PDBC09603","35027","Present"
-"1-Dodecyltridecyl dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","1-Dodecyltridecyl dihydrogen phosphate","","CCCCCCCCCCCCC(CCCCCCCCCCCC)OP(=O)(O)O","XTIFCHVMYQHMGD-UHFFFAOYSA-N","361964",NA,"PDBC09604","625449","Present"
-"1-Ethenyl-2-phenoxy-3-phenyl-1,3,2lambda5-diazaphospholidine 2-oxide","","","","","","","","","","","","","","","","","","","","1-Ethenyl-2-phenoxy-3-phenyl-1,3,2-diazaphospholidine 2-oxide","","C=CN1CCN(P1(=O)OC2=CC=CC=C2)C3=CC=CC=C3","JXXAMGMQTICQRW-UHFFFAOYSA-N","382334",NA,"PDBC09605","669803","Present"
-"1-Ethoxy-2,2,2-trifluoroethanol","","","","","","","","","","","","","","","","","","","","Fluoral ethyl hemiacetal","","CCOC(C(F)(F)F)O","KLXJPQNHFFMLIG-UHFFFAOYSA-N","9897",NA,"PDBC09606","65431","Present"
-"1-Ethoxy-4-[(E)-2-nitroethenyl]benzene","","","","","","","","","","","","","","","","","","","","NSC57187","","CCOC1=CC=C(C=C1)C=C[N+](=O)[O-]","LCRQRRBRHHLEHO-BQYQJAHWSA-N","762460",NA,"PDBC09607","57187","Present"
-"1-Ethoxy-5-fluoro-2,4-dinitrobenzene","","","","","","","","","","","","","","","","","","","","1-Ethoxy-5-fluoro-2,4-dinitrobenzene","","CCOC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F","HPPIQFLOPHCFBP-UHFFFAOYSA-N","227098",NA,"PDBC09608","18286","Present"
-"1-Ethoxy-5-methoxy-6-methylpyrido[3,2-a]phenazine","","","","","","","","","","","","","","","","","","","","1-Ethoxy-5-methoxy-6-methylpyrido[3,2-a]phenazine","","CCOC1=C2C(=NC=C1)C(=C(C3=NC4=CC=CC=C4N=C23)C)OC","JBUYZPDZOKNNRL-UHFFFAOYSA-N","389067",NA,"PDBC09609","684706","Present"
-"1-Ethoxycarbonyl-4-thioformylpiperazine","","","","","","","","","","","","","","","","","","","","1-Ethoxycarbonyl-4-thioformylpiperazine","","CCOC(=O)N1CCN(CC1)C=S","QEVGWJCAQIAJRV-UHFFFAOYSA-N","367805",NA,"PDBC09610","637830","Present"
-"1-Ethyl 2,3-dimethyl 4-(2,6-dimethylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate","","","","","","","","","","","","","","","","","","","","1-Ethyl 2,3-dimethyl 4-(2,6-dimethylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate","","CCOC(=O)C12CCC(O1)(C(=C2C(=O)OC)C(=O)OC)C3=C(C=CC=C3C)C","GLFYMSNFJDGJGI-UHFFFAOYSA-N","379156",NA,"PDBC09611","663570","Present"
-"1-Ethyl 3-methyl 1-methyl-2-oxo-1,3-cyclopentanedicarboxylate","","","","","","","","","","","","","","","","","","","","1-Ethyl 3-methyl 1-methyl-2-oxo-1,3-cyclopentanedicarboxylate","","CCOC(=O)C1(CCC(C1=O)C(=O)OC)C","LRTDKNBZCCSIPN-UHFFFAOYSA-N","371741",NA,"PDBC09612","646184","Present"
-"1-Ethyl 4,4-dimethyl 2-methyl-5-thioxo-1H-imidazole-1,4,4(5H)-tricarboxylate","","","","","","","","","","","","","","","","","","","","1-Ethyl 4,4-dimethyl 2-methyl-5-thioxo-1H-imidazole-1,4,4(5H)-tricarboxylate","","CCOC(=O)N1C(=NC(C1=S)(C(=O)OC)C(=O)OC)C","WSFVJIFKCKSURM-UHFFFAOYSA-N","395882",NA,"PDBC09613","700977","Present"
-"1-Ethyl 4,5-dimethyl 7-(3-methoxy-1-(methoxycarbonyl)-3-oxo-1-propenyl)-1H-indole-1,4,5-tricarboxylate","","","","","","","","","","","","","","","","","","","","1-O-Ethyl 4-O,5-O-dimethyl 7-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]indole-1,4,5-tricarboxylate","","CCOC(=O)N1C=CC2=C(C(=CC(=C21)C(=CC(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC","PDDHSLMNTPSNMD-RAXLEYEMSA-N","5468494",NA,"PDBC09614","670943","Present"
-"1-Ethyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate","","","","","","","","","","","","","","","","","","","","1-Ethyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate","","CCOC(=O)C(C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1)C2(OCCO2)C","LKANZAOXJOREPI-UHFFFAOYSA-N","373014",NA,"PDBC09615","648841","Present"
-"1-Ethyl 6,7-dimethyl 2-oxo-8-oxabicyclo[3.2.1]oct-6-ene-1,6,7-tricarboxylate","","","","","","","","","","","","","","","","","","","","1-Ethyl 6,7-dimethyl 2-oxo-8-oxabicyclo[3.2.1]oct-6-ene-1,6,7-tricarboxylate","","CCOC(=O)C12C(=O)CCC(O1)C(=C2C(=O)OC)C(=O)OC","AFWVZHOQIQXMOG-UHFFFAOYSA-N","379187",NA,"PDBC09616","663595","Present"
-"1-Ethyl-1,2,3,9-tetrahydropyrido[3,4-b]indol-4-one","","","","","","","","","","","","","","","","","","","","1-Ethyl-1,2,3,9-tetrahydropyrido[3,4-b]indol-4-one","","CCC1C2=C(C(=O)CN1)C3=CC=CC=C3N2","LERUSZXJBLIYRJ-UHFFFAOYSA-N","363936",NA,"PDBC09617","629425","Present"
-"1-Ethyl-1-[2-[ethyl(methylcarbamoyl)amino]ethyl]-3-methyl-urea","","","","","","","","","","","","","","","","","","","","1-Ethyl-1-[2-[ethyl(methylcarbamoyl)amino]ethyl]-3-methyl-urea","","CCN(CCN(CC)C(=O)NC)C(=O)NC","RYNMEXSNDNQDHP-UHFFFAOYSA-N","393254",NA,"PDBC09618","694881","Present"
-"1-Ethyl-1-[2-[ethyl(phenylcarbamoyl)amino]ethyl]-3-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-Ethyl-1-[2-[ethyl(phenylcarbamoyl)amino]ethyl]-3-phenyl-urea","","CCN(CCN(CC)C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2","NVNBATZARGQNDR-UHFFFAOYSA-N","393253",NA,"PDBC09619","694880","Present"
-"1-Ethyl-1-[3-[ethyl(phenylcarbamoyl)amino]propyl]-3-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-Ethyl-1-[3-[ethyl(phenylcarbamoyl)amino]propyl]-3-phenyl-urea","","CCN(CCCN(CC)C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2","PMBYEWRBCHIIOG-UHFFFAOYSA-N","390702",NA,"PDBC09620","688344","Present"
-"1-Ethyl-1-phenylphosphinan-1-ium;iodide","","","","","","","","","","","","","","","","","","","","1-Ethyl-1-phenylphosphinan-1-ium;iodide","","CC[P+]1(CCCCC1)C2=CC=CC=C2.[I-]","WGLWOAKNFPADME-UHFFFAOYSA-M","357590",NA,"PDBC09621","617065","Present"
-"1-Ethyl-2,4,6-triphenyl-4-(trichloromethyl)pyridine","","","","","","","","","","","","","","","","","","","","1-Ethyl-2,4,6-triphenyl-4-(trichloromethyl)pyridine","","CCN1C(=CC(C=C1C2=CC=CC=C2)(C3=CC=CC=C3)C(Cl)(Cl)Cl)C4=CC=CC=C4","LCOZIAZRBPYFFP-UHFFFAOYSA-N","386205",NA,"PDBC09622","677921","Present"
-"1-Ethyl-2-(3,5-dimethoxyphenyl)-1H-naphth[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(3,5-Dimethoxyphenyl)-1-ethyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C4=CC(=CC(=C4)OC)OC","FAEMHGXSUPXMRQ-UHFFFAOYSA-N","377409",NA,"PDBC09623","658852","Present"
-"1-Ethyl-2-(4-fluorophenyl)-1H-naphth[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-Ethyl-2-(4-fluorophenyl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C4=CC=C(C=C4)F","UXJSDMUHBMWJSS-UHFFFAOYSA-N","377406",NA,"PDBC09624","658849","Present"
-"1-Ethyl-2-(4-methoxyphenyl)-1H-naphth[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-Ethyl-2-(4-methoxyphenyl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C4=CC=C(C=C4)OC","UGXWNEHJXLKPLD-UHFFFAOYSA-N","377418",NA,"PDBC09625","658861","Present"
-"1-Ethyl-2-(chloromethyl)-1H-naphth[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(Chloromethyl)-1-ethyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)CCl","QVFKXVCIIGIGND-UHFFFAOYSA-N","377403",NA,"PDBC09626","658846","Present"
-"1-Ethyl-2-ethylsulfanyl-7-nitro-benzimidazole","","","","","","","","","","","","","","","","","","","","1-Ethyl-2-(ethylsulfanyl)-7-nitro-1H-benzimidazole","","CCN1C2=C(C=CC=C2[N+](=O)[O-])N=C1SCC","MHSJTQISLUPKOQ-UHFFFAOYSA-N","364069",NA,"PDBC09627","629708","Present"
-"1-Ethyl-2-heptadecyl-1-(prop-2-en-1-yl)-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate","","","","","","","","","","","","","","","","","","","","1-Ethyl-2-heptadecyl-1-(prop-2-en-1-yl)-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate","","CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CC=C.CCOS(=O)(=O)[O-]","JTNAIYBZLQUATM-UHFFFAOYSA-M","24183910",NA,"PDBC09628","31710","Present"
-"1-Ethyl-2-phenyl-1H-naphth[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-Ethyl-2-phenyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C4=CC=CC=C4","SOADXNLSDCQWQK-UHFFFAOYSA-N","377413",NA,"PDBC09629","658856","Present"
-"1-Ethyl-2-propyl-1H-naphth[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-Ethyl-2-propyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCCC1=NC2=C(N1CC)C(=O)C3=CC=CC=C3C2=O","VITPFZBXDRHVOJ-UHFFFAOYSA-N","377415",NA,"PDBC09630","658858","Present"
-"1-Ethyl-3,6-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione","","","","","","","","","","","","","","","","","","","","1-Ethyl-3,6-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione","","CCN1C2=C(C(=N1)C)NC(=O)C(NC2=O)C","RQNHVUFILDKNCT-UHFFFAOYSA-N","377440",NA,"PDBC09631","658893","Present"
-"1-Ethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-Ethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea","","CCNC(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])O","RBMLXWGQAMURNK-WUXMJOGZSA-N","135484931",NA,"PDBC09632","673835","Present"
-"1-Ethyl-3-[(E)-2-pyridylmethyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-Ethyl-3-[(E)-2-pyridylmethyleneamino]thiourea","","CCNC(=S)NN=CC1=CC=CC=N1","BSARYNMULKHEMH-KPKJPENVSA-N","7728685",NA,"PDBC09633","673832","Present"
-"1-Ethyl-3-[11-[3-(ethylcarbamothioylamino)-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-3-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-Ethyl-3-[11-[3-(ethylcarbamothioylamino)-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-tr","","CCNC(=S)NC1=C2C3=C(CN(CC3)N4CCC5=C(C4)SC6=NC(=NCC)SC(=C56)NC(=S)NCC)SC2=NC(=NCC)S1","CHTHAUBYOYJQGY-UHFFFAOYSA-N","5470736",NA,"PDBC09634","704851","Present"
-"1-Ethyl-3-[4-(3-methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy)-ph enyl]-urea","","","","","","","","","","","","","","","","","","","","1-ethyl-3-[4-(3-methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy...","","CCNC(=O)NC1=CC=C(C=C1)OC2=C3C4=C(C=CC3=NC=C2)N(C=C4)C","YNOIPVQBAUFGDO-UHFFFAOYSA-N","406604",NA,"PDBC09635","724818","Present"
-"1-Ethyl-3-[4-chloro-alpha-(1H-imidazol-1-yl)benzyl]-5-bromo-1H-indole","","","","","","","","","","","","","","","","","","","","5-Bromo-3-[(4-chlorophenyl)-imidazol-1-yl-methyl]-1-ethyl-indole","","CCN1C=C(C2=C1C=CC(=C2)Br)C(C3=CC=C(C=C3)Cl)N4C=CN=C4","ZUWZMYGOOTZWBS-UHFFFAOYSA-N","399827",NA,"PDBC09636","710962","Present"
-"1-Ethyl-3-[[2-[2-[(ethylcarbamothioylamino)carbamoyl]anilino]benzoyl]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Ethyl-3-[[2-[2-[(ethylcarbamothioylamino)carbamoyl]anilino]benzoyl]amino]thiourea","","CCNC(=S)NNC(=O)C1=CC=CC=C1NC2=CC=CC=C2C(=O)NNC(=S)NCC","GKJIXJBUVXETAO-UHFFFAOYSA-N","3005414",NA,"PDBC09637","698457","Present"
-"1-Ethyl-3-methyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione","","","","","","","","","","","","","","","","","","","","1-Ethyl-3-methyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione","","CCN1C2=C(C(=N1)C)NC(=O)CNC2=O","LHAKBWLTJSZAGY-UHFFFAOYSA-N","377439",NA,"PDBC09638","658892","Present"
-"1-Ethyl-3-methyl-2-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)benzene","","","","","","","","","","","","","","","","","","","","1-Ethyl-3-methyl-2-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)benzene","","CCC1=CC=CC(=C1NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C","GAIWCIYJFTXIBB-UHFFFAOYSA-N","367467",NA,"PDBC09639","637199","Present"
-"1-Ethyl-3-pyridin-2-ylurea","","","","","","","","","","","","","","","","","","","","1-Ethyl-3-pyridin-2-ylurea","","CCNC(=O)NC1=CC=CC=N1","IYRCTNBKKJBHRT-UHFFFAOYSA-N","376251",NA,"PDBC09640","656957","Present"
-"1-Ethyl-4-(2,6-dichloro-4-aminophenoxy)-5-chloropyridazine-6(1H)-one","","","","","","","","","","","","","","","","","","","","1-Ethyl-4-(2,6-dichloro-4-aminophenoxy)-5-chloropyridazine-6(1H)-one","","CCN1C(=O)C(=C(C=N1)OC2=C(C=C(C=C2Cl)N)Cl)Cl","YERYCQASXNZRFY-UHFFFAOYSA-N","400497",NA,"PDBC09641","712394","Present"
-"1-Ethyl-4-hydroxy-3-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione","","","","","","","","","","","","","","","","","","","","1-Ethyl-4-hydroxy-3-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione","","CCN1C2=C(C(N(C1=O)C)O)C(=O)N3C=CC=CC3=N2","IGQOWKHOTIGEPI-UHFFFAOYSA-N","375438",NA,"PDBC09642","655161","Present"
-"1-Ethyl-4-nitroso-1H-pyrazol-5-amine","","","","","","","","","","","","","","","","","","","","DNWBJBVXTUSJGC-UHFFFAOYSA-N","","CCN1C(=C(C=N1)N=O)N","DNWBJBVXTUSJGC-UHFFFAOYSA-N","353774",NA,"PDBC09643","602890","Present"
-"1-Ethyl-4-nitroso-1H-pyrazol-5-amine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC602889","","CCN1C(=C(C=N1)N=O)N.Cl","WORAXEULARWJBN-UHFFFAOYSA-N","353773",NA,"PDBC09644","602889","Present"
-"1-Ethyl-4-oxido-6-phenyl-pyrazolo[3,4-b]pyrazin-4-ium","","","","","","","","","","","","","","","","","","","","1-Ethyl-4-oxido-6-phenyl-pyrazolo[3,4-b]pyrazin-4-ium","","CCN1C2=NC(=C[N+](=C2C=N1)[O-])C3=CC=CC=C3","NJKXIZYAJNKCRR-UHFFFAOYSA-N","494317",NA,"PDBC09645","602891","Present"
-"1-Ethyl-4-phenylazepane-4-carbonitrile;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC400476","","CCN1CCCC(CC1)(C#N)C2=CC=CC=C2.Cl","QTNFNRQSFRKKQG-UHFFFAOYSA-N","24200670",NA,"PDBC09646","400476","Present"
-"1-Ethyl-5-[(E)-3-(1-ethyl-2,4-dioxo-pyrimidin-5-yl)but-1-enyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)Pyrimidinedione, 5,5'-(2-butenylene)bis[1-ethyl-","","CCN1C=C(C(=O)NC1=O)C=CC(C)C2=CN(C(=O)NC2=O)CC","RIUWKTPMUUUIDU-VOTSOKGWSA-N","5917076",NA,"PDBC09647","626422","Present"
-"1-Ethyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","","","","","","","","","","","","","","","","","","","1-Ethyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","CCN1C2(C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)SC=N1","IGDGPSKMCJILPI-UHFFFAOYSA-N","364471",NA,"PDBC09648","630738","Present"
-"1-Ethyl-6-(Ethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","1 - Ethyl -6 - (Ethylthio) - 1H - pyrazolo[3,4-d]pyrimid...","","CCN1C2=NC(=NC(=C2C=N1)N)SCC","RCYYIEGGXUPAJO-UHFFFAOYSA-N","24203438",NA,"PDBC09649","728028","Present"
-"1-Ethylimidazolium-trans-tetrachlorobis- 1-ethylimidazol...","","","","","","","","","","","","","","","","","","","","1-Ethylimidazolium-trans-tetrachlorobis- 1-ethylimidazol...","","","","",NA,"PDBC09650","630112","Present"
-"1-Ethylpyrazolium-trans-tetrachlorobis-1- ethylpyrazoler...","","","","","","","","","","","","","","","","","","","","1-Ethylpyrazolium-trans-tetrachlorobis-1- ethylpyrazoler...","","","","",NA,"PDBC09651","630120","Present"
-"1-Ethynyl-2-carboethoxyethenylnaphthalene","","","","","","","","","","","","","","","","","","","","1-ethynyl-2-carboethoxyethenylnaphthalene","","CCOC(=O)C=CC1=C(C2=CC=CC=C2C=C1)C#C","HFCLILYMRONETA-VAWYXSNFSA-N","24205329",NA,"PDBC09652","735063","Present"
-"1-Fluoro-2,4-dinitroimidazole","","","","","","","","","","","","","","","","","","","","1-Fluoro-2,4-dinitro-imidazole","","C1=C(N=C(N1F)[N+](=O)[O-])[N+](=O)[O-]","WWONLHHATWLIAP-UHFFFAOYSA-N","390555",NA,"PDBC09653","688041","Present"
-"1-Fluoro-3-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)adamantane","","","","","","","","","","","","","","","","","","","","1-Fluoro-3-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)adamantane","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC23CC4CC(C2)CC(C4)(C3)F","LDNKPWXUUQRYFH-UHFFFAOYSA-N","371833",NA,"PDBC09654","646349","Present"
-"1-Fluoro-3-(2-nitrovinyl)benzene","","","","","","","","","","","","","","","","","","","","ALBB-031223","","C1=CC(=CC(=C1)F)C=C[N+](=O)[O-]","NOXNBNYWEWJUTM-SNAWJCMRSA-N","5702506",NA,"PDBC09655","295466","Present"
-"1-Fluoro-4,5-dinitroimidazole","","","","","","","","","","","","","","","","","","","","1-Fluoro-4,5-dinitro-imidazole","","C1=NC(=C(N1F)[N+](=O)[O-])[N+](=O)[O-]","SCCAKRRXAWUWOI-UHFFFAOYSA-N","390554",NA,"PDBC09656","688040","Present"
-"1-Fluoro-4-(12-(4-fluorophenyl)-3,10-dimethyl-2,10-dodecadienyl)benzene","","","","","","","","","","","","","","","","","","","","1-Fluoro-4-(12-(4-fluorophenyl)-3,10-dimethyl-2,10-dodecadienyl)benzene","","CC(=CCC1=CC=C(C=C1)F)CCCCCCC(=CCC2=CC=C(C=C2)F)C","IBKBVXJQQVBYHG-VGENTYGXSA-N","5469375",NA,"PDBC09657","687148","Present"
-"1-Fluoro-7-nitrofluoren-9-one","","","","","","","","","","","","","","","","","","","","1-Fluoro-7-nitrofluoren-9-one","","C1=CC2=C(C(=C1)F)C(=O)C3=C2C=CC(=C3)[N+](=O)[O-]","NTGAQPLRGRIJPT-UHFFFAOYSA-N","347243",NA,"PDBC09658","405789","Present"
-"1-Formyl-4-thioformylpiperazine","","","","","","","","","","","","","","","","","","","","1-Formyl-4-thioformylpiperazine","","C1CN(CCN1C=O)C=S","CILPTWMDHGCSSU-UHFFFAOYSA-N","365326",NA,"PDBC09659","632917","Present"
-"1-Formylisoquinoline thiosemicarbazone","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)-, ...","","C1=CC=C2C(=C1)C=CN=C2C=NNC(=S)N","FQWITMQQUMTMRE-AUWJEWJLSA-N","5874389",NA,"PDBC09660","162700","Present"
-"1-Heptadecyloctadecyl dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","1-Heptadecyloctadecyl dihydrogen phosphate","","CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OP(=O)(O)O","OCQQHAPIBNSOPF-UHFFFAOYSA-N","361965",NA,"PDBC09661","625450","Present"
-"1-Heptyl-3-[5-(1-heptyl-3-hydroxy-2-oxo-indolin-3-yl)-2-thienyl]-3-hydroxy-indolin-2-one","","","","","","","","","","","","","","","","","","","","1-Heptyl-3-[5-(1-heptyl-3-hydroxy-2-oxo-indolin-3-yl)-2-thienyl]-3-hydroxy-indolin-2-one","","CCCCCCCN1C2=CC=CC=C2C(C1=O)(C3=CC=C(S3)C4(C5=CC=CC=C5N(C4=O)CCCCCCC)O)O","RBAXLWYUWUWQLG-UHFFFAOYSA-N","383509",NA,"PDBC09662","671896","Present"
-"1-Heptylsulfanyl-3-trityloxy-propan-2-ol","","","","","","","","","","","","","","","","","","","","1-Heptylsulfanyl-3-trityloxy-propan-2-ol","","CCCCCCCSCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O","PFASJRQFQOEXMR-UHFFFAOYSA-N","390882",NA,"PDBC09663","688993","Present"
-"1-Hexadecyl-3-methylimidazolium chloride","","","","","","","","","","","","","","","","","","","","1-Hexadecyl-3-methylimidazolium chloride","","CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]","ZCPPLZJPPBIWRU-UHFFFAOYSA-M","2734231",NA,"PDBC09664","747260","Present"
-"1-Hexanoyl-4-(4-methoxyphenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-Hexanoyl-4-(4-methoxyphenyl)-1,2,4-triazolidine-3,5-dione","","CCCCCC(=O)N1C(=O)N(C(=O)N1)C2=CC=C(C=C2)OC","CRTYIWVQCGHCBH-UHFFFAOYSA-N","388172",NA,"PDBC09665","682737","Present"
-"1-Hexyne, 1-[(trifluoromethyl)sulfonyl]-","","","","","","","","","","","","","","","","","","","","1-Hexyne, 1-[(trifluoromethyl)sulfonyl]-","","CCCCC#CS(=O)(=O)C(F)(F)F","UZDKISUHEORQHJ-UHFFFAOYSA-N","362875",NA,"PDBC09666","627320","Present"
-"1-Hexynyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","hexynyl p-toluenesulfonate","","CCCCC#COS(=O)(=O)C1=CC=C(C=C1)C","RPMSXRZMXPLKKV-UHFFFAOYSA-N","371538",NA,"PDBC09667","645866","Present"
-"1-Hydrosulfonyl-N-(4-hydroxyphenyl)formamidine","","","","","","","","","","","","","","","","","","","","N-(4-Hydroxyphenyl)sulfanecarboximidamide dioxide","","C1=CC(=CC=C1N=C(N)S(=O)[O-])O","NQLSEHQHFJZFBP-UHFFFAOYSA-M","6399360",NA,"PDBC09668","683262","Present"
-"1-Hydroxy-1-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]urea","","","","","","","","","","","","","","","","","","","","1-Hydroxy-1-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]urea","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N(C(=O)N)O","GQUKYSQQRZCVEM-UHFFFAOYSA-N","390868",NA,"PDBC09669","693091","Present"
-"1-Hydroxy-10-methyl-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one","","","","","","","","","","","","","","","","","","","","Benzo[d]naphtho[1,2-b]pyran-6-one, 1-hydroxy-10-methyl-7...","","CC1CCCC2=C1C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O","VSIBYLUZYNYFPG-UHFFFAOYSA-N","373241",NA,"PDBC09670","649270","Present"
-"1-Hydroxy-11,13-dimethoxy-6H-[1]benzofuro[5,6-c]benzo[h]chromen-6-one","","","","","","","","","","","","","","","","","","","","1-Hydroxy-11,13-dimethoxy-6H-[1]benzofuro[5,6-c]benzo[h]chromen-6-one","","COC1=C2C(=C3C(=C1)C4=C(C=C5C=COC5=C4OC)C(=O)O3)C=CC=C2O","AXEPOELCIJWDNH-UHFFFAOYSA-N","374695",NA,"PDBC09671","652862","Present"
-"1-Hydroxy-11,13-dimethoxy-9-(trimethylsilyl)-6H-[1]benzofuro[5,6-c]benzo[h]chromen-6-one","","","","","","","","","","","","","","","","","","","","1-Hydroxy-11,13-dimethoxy-9-(trimethylsilyl)-6H-[1]benzofuro[5,6-c]benzo[h]chromen-6-one","","COC1=C2C(=C3C(=C1)C4=C(C=C5C=C(OC5=C4OC)[Si](C)(C)C)C(=O)O3)C=CC=C2O","XFYXOHCMSUSCEW-UHFFFAOYSA-N","374696",NA,"PDBC09672","652863","Present"
-"1-Hydroxy-2,1-benzoxaborolane","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3(1H)-1,2-Benzoboroxole","","B1(C2=CC=CC=C2CO1)O","XOQABDOICLHPIS-UHFFFAOYSA-N","403788",NA,"PDBC09673","719278","Present"
-"1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinecarbaldehyde oxime 3-oxide","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinecarbaldehyde oxime 3-oxide","","CC1(C(=CN=O)N(C(N1O)(C)C)O)C","DJZVOAQNCMYWOU-WAYWQWQTSA-N","5465832",NA,"PDBC09674","663919","Present"
-"1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinecarbonitrile 3-oxide","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinecarbonitrile 3-oxide","","CC1(C(=[N+](C(N1O)(C)C)[O-])C#N)C","ASTJTQSJRMMCCR-UHFFFAOYSA-N","379395",NA,"PDBC09675","663937","Present"
-"1-Hydroxy-2,5-dimethyl-2,6-diphenyl-4-(1-phenylethyl)piperazine","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2,5-dimethyl-2,6-diphenyl-4-(1-phenylethyl)piperazine","","CC1C(N(C(CN1C(C)C2=CC=CC=C2)(C)C3=CC=CC=C3)O)C4=CC=CC=C4","JUGSFJFMUZGDPP-UHFFFAOYSA-N","371787",NA,"PDBC09676","646231","Present"
-"1-Hydroxy-2-(2,4,4-trimethylpentan-2-yl)guanidine;oxalic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2-(2,4,4-trimethylpentan-2-yl)guanidine;oxalic acid","","CC(C)(C)CC(C)(C)N=C(N)NO.C(=O)(C(=O)O)O","ZNCMCZYKZFOMEV-UHFFFAOYSA-N","379731",NA,"PDBC09677","664707","Present"
-"1-Hydroxy-2-(2-(4-morpholinyl)-2-cyclohexen-1-yl)-2-phenyl-1,2-dihydro-3H-indol-3-one","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2-(2-(4-morpholinyl)-2-cyclohexen-1-yl)-2-phenyl-1,2-dihydro-3H-indol-3-one","","C1CC=C(C(C1)C2(C(=O)C3=CC=CC=C3N2O)C4=CC=CC=C4)N5CCOCC5","DTQWPAJNCXFQHJ-UHFFFAOYSA-N","374527",NA,"PDBC09678","652278","Present"
-"1-Hydroxy-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1C=NN=C(N)NO","QNNJJKUOBDWCNW-ICSBZGNSSA-N","50990865",NA,"PDBC09679","646109","Present"
-"1-Hydroxy-2-[(E)-(3-hydroxypyridin-2-yl)methylideneamino]guanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2-[(E)-(3-hydroxypyridin-2-yl)methylideneamino]guanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(N=C1)C=NN=C(N)NO)O","FUYSRWHZBXYONA-FCVRUTMISA-N","135510085",NA,"PDBC09680","625742","Present"
-"1-Hydroxy-2-[(Z)-(2,3,4-trihydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2-[(Z)-(2,3,4-trihydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C(=C1C=NN=C(N)NO)O)O)O","GUTVHWJNYVXLGX-HVHUWTQGSA-N","135510079",NA,"PDBC09681","625739","Present"
-"1-Hydroxy-2-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1C=NN=C(N)NO)O)[N+](=O)[O-])[N+](=O)[O-]","OYXSICDMKRJZOM-HVHUWTQGSA-N","135510075",NA,"PDBC09682","625737","Present"
-"1-Hydroxy-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)C=NN=C(N)NO)O","FACDHGYCPLGGNO-WIMVAJRLSA-N","135510083",NA,"PDBC09683","625741","Present"
-"1-Hydroxy-2-butenylphosphonic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","(E)-1-Dimethoxyphosphorylbut-2-en-1-ol","","CC=CC(O)P(=O)(OC)OC","ZTFCKDGCKRVFED-SNAWJCMRSA-N","5470785",NA,"PDBC09684","705128","Present"
-"1-Hydroxy-2-methoxyanthracene-4-propanoic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-2-methoxyanthracene-4-propanoic acid","","COC1=C(C2=CC3=CC=CC=C3C=C2C(=C1)CCC(=O)O)O","IUTRRFLRZUNJIL-UHFFFAOYSA-N","399715",NA,"PDBC09685","710746","Present"
-"1-Hydroxy-3,3a,4,5,6,7-hexahydro-2H-indene-2-one","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3,3a,4,5,6,7-hexahydro-2H-indene-2-one","","C1CCC2=C(C(=O)CC2C1)O","ODRIYRNIMUSZDD-UHFFFAOYSA-N","359245",NA,"PDBC09686","619953","Present"
-"1-Hydroxy-3-(2,4,4-trimethylpentan-2-yl)thiourea","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3-(2,4,4-trimethylpentan-2-yl)thiourea","","CC(C)(C)CC(C)(C)NC(=S)NO","WWSJJRURCYJJTP-UHFFFAOYSA-N","3815887",NA,"PDBC09687","664706","Present"
-"1-Hydroxy-3-(2-furanyl)-2-propenylphosphonic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","(E)-1-Dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol","","COP(=O)(C(C=CC1=CC=CO1)O)OC","NROBREGWPDWSHZ-AATRIKPKSA-N","5470784",NA,"PDBC09688","705127","Present"
-"1-Hydroxy-3-[(E)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3-[(E)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C=C1)C=NN=C(N)NO)O","YNXZNJZUTSAYBH-HMXKFKBXSA-N","9574166",NA,"PDBC09689","646103","Present"
-"1-Hydroxy-3-[(E)-(4-hydroxy-3-methoxy-phenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3-[(E)-(4-hydroxy-3-methoxy-phenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=CC(=C1)C=NN=C(N)NO)O","UOHACFRMFCWKSI-HMXKFKBXSA-N","135499235",NA,"PDBC09690","646104","Present"
-"1-Hydroxy-3-[2-[2-[2-[2-(1-hydroxy-6-methyl-2-sulfanylidenepyridin-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]-6-methylpyridine-2-thione","","","","","","","","","","","","","","","","","","","","3,3'-(2,2'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(eth...","","CC1=CC=C(C(=S)N1O)OCCOCCOCCOCCOC2=CC=C(N(C2=S)O)C","NFZSCIGNYNUEPW-UHFFFAOYSA-N","155815532",NA,"PDBC09691","800287","Present"
-"1-Hydroxy-3-[2-[2-[2-[2-[2-(1-hydroxy-6-methyl-2-sulfanylidenepyridin-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-methylpyridine-2-thione","","","","","","","","","","","","","","","","","","","","3,3'-(3,6,9,12-tetraoxatetradecane-1,14-diylbis(oxy))bis...","","CC1=CC=C(C(=S)N1O)OCCOCCOCCOCCOCCOC2=CC=C(N(C2=S)O)C","VRLWTLXADZKMHY-UHFFFAOYSA-N","155815526",NA,"PDBC09692","800288","Present"
-"1-Hydroxy-3-methoxy-10-methylacridone","","","","","","","","","","","","","","","","","","","","RD7-5040","","CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3O)OC","OCUBFJMZYYIVBO-UHFFFAOYSA-N","5377412",NA,"PDBC09693","681019","Present"
-"1-Hydroxy-3-methoxy-5-methyl-10H-acridin-9-one","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3-methoxy-5-methyl-9(10)-acridinone","","CC1=C2C(=CC=C1)C(=O)C3=C(N2)C=C(C=C3O)OC","KIOGLALGCJHJDX-UHFFFAOYSA-N","5465793",NA,"PDBC09694","662139","Present"
-"1-Hydroxy-3-methoxy-8,10-dimethyl-acridin-9-one","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3-methoxy-8,10-dimethyl-9(10)-acridinone","","CC1=C2C(=CC=C1)N(C3=C(C2=O)C(=CC(=C3)OC)O)C","YEYSAZDGERSVQW-UHFFFAOYSA-N","5465792",NA,"PDBC09695","662138","Present"
-"1-Hydroxy-3-methyl-10H-acridin-9-one","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3-methyl-10H-acridin-9-one","","CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2","BMHHDKWYWYUBBR-UHFFFAOYSA-N","5465764",NA,"PDBC09696","660814","Present"
-"1-Hydroxy-3-methyl-11-oxa-2-aza-benzo[b]fluorene-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3-methyl-11-oxa-2-aza-benzo[b]fluorene-4-carboxylic acid","","CC1=C(C2=C(C(=O)N1)OC3=CC4=CC=CC=C4C=C32)C(=O)O","YAMFJLJQNZGQRO-UHFFFAOYSA-N","378990",NA,"PDBC09697","662582","Present"
-"1-Hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","Anthraquinone, 1-hydroxy-4-[p-(2-hydroxyethyl)anilino]-","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NC4=CC=C(C=C4)CCO","HEIUNTCQZMXSDO-UHFFFAOYSA-N","291365",NA,"PDBC09698","156565","Present"
-"1-Hydroxy-4-hydroxyiminomethyl-2,2,5,5-tetramethyl-3-imidazoline","","","","","","","","","","","","","","","","","","","","AZWKRLPBJNSCBP-WEVVVXLNSA-N","","CC1(C(=NC(N1O)(C)C)C=NO)C","AZWKRLPBJNSCBP-WEVVVXLNSA-N","135509155",NA,"PDBC09699","663916","Present"
-"1-Hydroxy-4-methoxy-7,8-dihydro-5H-benzo[a]cycloheptene-5,9(6H)-dione","","","","","","","","","","","","","","","","","","","","1-Hydroxy-4-methoxy-7,8-dihydro-5H-benzo[a]cycloheptene-5,9(6H)-dione","","COC1=C2C(=O)CCCC(=O)C2=C(C=C1)O","WDACKGUYEUDOGU-UHFFFAOYSA-N","361670",NA,"PDBC09700","624888","Present"
-"1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide","","","","","","","","","","","","","","","","","","","","1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide","","C1=CC(C=CC1=O)(CC(=O)N)O","CJJCCPNQRODTES-UHFFFAOYSA-N","396469",NA,"PDBC09701","702646","Present"
-"1-Hydroxy-5-oxo-2-phenylcyclohexanecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-5-oxo-2-phenylcyclohexanecarboxylic acid","","C1CC(=O)CC(C1C2=CC=CC=C2)(C(=O)O)O","GJJJBQYNYSREEH-UHFFFAOYSA-N","372278",NA,"PDBC09702","647336","Present"
-"1-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","STK366297","","C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","CPIKPLOLVMTKGG-UHFFFAOYSA-N","242249",NA,"PDBC09703","50648","Present"
-"1-Hydroxy-alpha-phenylcyclopentaneacetic acid 3-quinuclidinyl ester","","","","","","","","","","","","","","","","","","","","NSC665739///NSC665747","","C1CCC(C1)(C(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4)O","ZMPSKFMPHXKCJA-UHFFFAOYSA-N","380260",NA,"PDBC09704","665739///665747","Present"
-"1-Hydroxycyclododecanecarbonitrile","","","","","","","","","","","","","","","","","","","","YFTBTHFVKKQJBS-UHFFFAOYSA-N","","C1CCCCCC(CCCCC1)(C#N)O","YFTBTHFVKKQJBS-UHFFFAOYSA-N","380691",NA,"PDBC09705","666395","Present"
-"1-I(3)-Chloropropylsilatrane","","","","","","","","","","","","","","","","","","","","1-I(3)-Chloropropylsilatrane","","C1CO[Si]2(OCCN1CCO2)CCCCl","ZWMZODRUDVNBOM-UHFFFAOYSA-N","142804",NA,"PDBC09706","626547","Present"
-"1-Imidazol-1-yl-2-phenothiazin-10-ylpropan-1-one","","","","","","","","","","","","","","","","","","","","1-(1H-Imidazol-1-yl)-2-(10H-phenothiazin-10-yl)propan-1-one","","CC(C(=O)N1C=CN=C1)N2C3=CC=CC=C3SC4=CC=CC=C42","VIMPHBFCUXBPCC-UHFFFAOYSA-N","377188",NA,"PDBC09707","658415","Present"
-"1-Imidazolidinepropanoic acid, 3-(4-methoxyphenyl)-4,5-dioxo-2-thioxo-, ethyl ester","","","","","","","","","","","","","","","","","","","","1-Imidazolidinepropanoic acid, 3-(4-methoxyphenyl)-4,5-dioxo-2-thioxo-, ethyl ester","","CCOC(=O)CCN1C(=O)C(=O)N(C1=S)C2=CC=C(C=C2)OC","MNWISZQHHYEREN-UHFFFAOYSA-N","383267",NA,"PDBC09708","671381","Present"
-"1-Indenone, 3-hydroxy-2-(2-quinoxalinyl)-","","","","","","","","","","","","","","","","","","","","1-Indenone, 3-hydroxy-2-(2-quinoxalinyl)-","","C1=CC=C2C(=C1)C(=C(C2=O)C3=NC4=CC=CC=C4N=C3)O","WUFMPLCXHNQVRG-UHFFFAOYSA-N","366050",NA,"PDBC09709","634224","Present"
-"1-Indolylmethyl-1,3,4-thiadiaz-2-OL,5-phenylamin","","","","","","","","","","","","","","","","","","","","NOCAS_878117","","C1=CC=C(C=C1)NC2=NN=C(S2)CN3C=CC4=CC=CC=C43","DYSQWNMURQWOGS-UHFFFAOYSA-N","396537",NA,"PDBC09710","703007","Present"
-"1-Iodo-2,2-dimethylpropane","","","","","","","","","","","","","","","","","","","","Neopentyl iodide","","CC(C)(C)CI","CJTZXIJETZZARD-UHFFFAOYSA-N","84953",NA,"PDBC09711","617421","Present"
-"1-Isobutyl-5-methyldihydro-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-Isobutyl-5-methyldihydro-2,4(1H,3H)-pyrimidinedione","","CC1CN(C(=O)NC1=O)CC(C)C","MTDFMKJQQUUCRK-UHFFFAOYSA-N","362313",NA,"PDBC09712","625949","Present"
-"1-Isonicotinoyl-3-methyl-4-(4-methylphenyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6amine, 3-methyl- 4-(4-me...","","CC1=CC=C(C=C1)C2C3=C(N=C(S2)N)N(N=C3C)C(=O)C4=CC=NC=C4","SZTDKVJTFXOKQW-UHFFFAOYSA-N","376868",NA,"PDBC09713","657987","Present"
-"1-Isonicotinoyl-3-methyl-5-pyrazolone","","","","","","","","","","","","","","","","","","","","1-Isonicotinoyl-3-methyl-5-pyrazolone","","CC1=NN(C(=O)C1)C(=O)C2=CC=NC=C2","IDOLGSRILKOZDY-UHFFFAOYSA-N","387326",NA,"PDBC09714","681070","Present"
-"1-Isopentyl-2H-pyrazolo[4,3-b]quinoxalin-3-imine","","","","","","","","","","","","","","","","","","","","1-Isopentyl-2H-pyrazolo[4,3-b]quinoxalin-3-imine","","CC(C)CCN1C2=NC3=CC=CC=C3N=C2C(=N1)N","GUXLIVYUPGLNRC-UHFFFAOYSA-N","392852",NA,"PDBC09715","693864","Present"
-"1-Isopropoxy-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5,8-dioxaspiro[3.4]oct-1-en-3-one","","","","","","","","","","","","","","","","","","","","1-Isopropoxy-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5,8-dioxaspiro[3.4]oct-1-en-3-one","","CC(C)OC1=C(C(=O)C12OCCO2)CC3(OCCO3)C","PBDWAPJHJUDGOZ-UHFFFAOYSA-N","394539",NA,"PDBC09716","698084","Present"
-"1-Isopropoxy-3-(octyloxy)-2-propanol","","","","","","","","","","","","","","","","","","","","1-isopropoxy-3-octoxy-propan-2-ol","","CCCCCCCCOCC(COC(C)C)O","HAXFADIBYNUWJM-UHFFFAOYSA-N","372440",NA,"PDBC09717","647554","Present"
-"1-Isopropyl-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-ol","","","","","","","","","","","","","","","","","","","","1-Isopropyl-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-ol","","CC(C)C1(C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)O","TWKMEFMBSYSNHH-UHFFFAOYSA-N","361652",NA,"PDBC09718","624870","Present"
-"1-Isopropyl-2-methylpropyl 4-((2,5-dihydroxybenzyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, 2...","","CC(C)C(C(C)C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","KUABINSNUDJEPW-UHFFFAOYSA-N","387217",NA,"PDBC09719","680779","Present"
-"1-Isopropyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Isopropyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","CC(C)C1N2C(=NC3=CC=CC=C32)CS1","CRQBLABDWHLEIW-UHFFFAOYSA-N","382384",NA,"PDBC09720","669942","Present"
-"1-Isopropyl-4-(3-(1-piperidinylsulfonyl)-4-pyridinyl)piperazine","","","","","","","","","","","","","","","","","","","","1-Isopropyl-4-(3-(1-piperidinylsulfonyl)-4-pyridinyl)piperazine","","CC(C)N1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCCCC3","HFOPEKGPORHVAN-UHFFFAOYSA-N","325375",NA,"PDBC09721","293958","Present"
-"1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene","","","","","","","","","","","","","","","","","","","","1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene","","CC(C)C1=CC(C(CC1)(C)SC)SC","HDMDTBNXVLZBIK-UHFFFAOYSA-N","375769",NA,"PDBC09722","655919","Present"
-"1-Isoquinolinamine, 3-(1-naphthalenyl)-","","","","","","","","","","","","","","","","","","","","1-Isoquinolinamine, 3-(1-naphthalenyl)-","","C1=CC=C2C(=C1)C=CC=C2C3=CC4=CC=CC=C4C(=N3)N","ZSEYNJWKNQXNGL-UHFFFAOYSA-N","322083",NA,"PDBC09723","277987","Present"
-"1-Isotetrandrine","","","","","","","","","","","","","","","","","","","","isotetrandrine","","CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC","WVTKBKWTSCPRNU-IHLOFXLRSA-N","5351212",NA,"PDBC09724","97338","Present"
-"1-Mesityl-2,3-diphenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","1-Mesityl-2,3-diphenyl-2-propen-1-one","","CC1=CC(=C(C(=C1)C)C(=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3)C","NBVIOTWEGHSDGM-CJLVFECKSA-N","5466859",NA,"PDBC09725","644640","Present"
-"1-Mesityl-3-(4-methoxyphenyl)-2-methyl-3-phenyl-1-propanone","","","","","","","","","","","","","","","","","","","","NSC644637///NSC644642","","CC1=CC(=C(C(=C1)C)C(=O)C(C)C(C2=CC=CC=C2)C3=CC=C(C=C3)OC)C","FODRFNKXXDTGIV-UHFFFAOYSA-N","370902",NA,"PDBC09726","644637///644642","Present"
-"1-Methoxy-11,12-dihydrodibenzo[a,e]cycloocten-5(6H)-one","","","","","","","","","","","","","","","","","","","","1-Methoxy-11,12-dihydrodibenzo[a,e]cycloocten-5(6H)-one","","COC1=CC=CC2=C1CCC3=CC=CC=C3CC2=O","GCRKFHCLRBMDAA-UHFFFAOYSA-N","375809",NA,"PDBC09727","655971","Present"
-"1-Methoxy-2,1-benzoxazol-3-one","","","","","","","","","","","","","","","","","","","","1-Methoxy-2,1-benzisoxazol-3(1H)-one","","CON1C2=CC=CC=C2C(=O)O1","MWTHSJYITBKGDZ-UHFFFAOYSA-N","389272",NA,"PDBC09728","685025","Present"
-"1-Methoxy-2-(2-nitrovinyl)benzene","","","","","","","","","","","","","","","","","","","","NSC59450","","COC1=CC=CC=C1C=C[N+](=O)[O-]","FVKSRNVYJXQCLK-VOTSOKGWSA-N","710669",NA,"PDBC09729","59450","Present"
-"1-Methoxy-2-[(E)-2-[5-(2-methoxyphenyl)-2,6-dimethylcyclohexen-1-yl]ethenyl]benzene","","","","","","","","","","","","","","","","","","","","1-Methoxy-2-[(E)-2-[5-(2-methoxyphenyl)-2,6-dimethylcyclohexen-1-yl]ethenyl]benzene","","CC1C(CCC(=C1C=CC2=CC=CC=C2OC)C)C3=CC=CC=C3OC","TVPBJULSXPLFIN-JQIJEIRASA-N","6299360",NA,"PDBC09730","338005","Present"
-"1-Methoxy-2-[(Z)-2-nitroprop-1-enyl]benzene","","","","","","","","","","","","","","","","","","","","NSC14006///NSC22984","","CC(=CC1=CC=CC=C1OC)[N+](=O)[O-]","OFYVONMDKJKATB-FPLPWBNLSA-N","5371805",NA,"PDBC09731","14006///22984","Present"
-"1-Methoxy-2-[2-[2-[2-[2-[6-[4-[2-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]benzene","","","","","","","","","","","","","","","","","","","","1-Methoxy-2-[2-[2-[2-[2-[6-[4-[2-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]benzene","","COC1=CC=CC=C1C#CC2=CC=CC=C2C#CC3=CC=C(C=C3)OCCCCCCOC4=CC=CC=C4C#CC5=CC=CC=C5C#CC6=CC=CC=C6OC","GMRUUSHBPRIXTG-UHFFFAOYSA-N","45028396",NA,"PDBC09732","742459","Present"
-"1-Methoxy-2-[2-[2-[9-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]nona-1,8-diynyl]phenyl]ethynyl]benzene","","","","","","","","","","","","","","","","","","","","1-Methoxy-2-[2-[2-[9-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]nona-1,8-diynyl]phenyl]ethynyl]benzene","","COC1=CC=CC=C1C#CC2=CC=CC=C2C#CCCCCCC#CC3=CC=CC=C3C#CC4=CC=CC=C4OC","RMUKRHVOEHOOPC-UHFFFAOYSA-N","24205313",NA,"PDBC09733","735002","Present"
-"1-Methoxy-2H-1$l^{3},2-benziodazol-3-one","","","","","","","","","","","","","","","","","","","","1-Methoxy-2H-1$l^{3},2-benziodazol-3-one","","COI1C2=CC=CC=C2C(=O)N1","XYWJVBFZMUSTMQ-UHFFFAOYSA-N","392253",NA,"PDBC09734","692394","Present"
-"1-Methoxy-3,10-dimethyl-9(10H)-acridinone","","","","","","","","","","","","","","","","","","","","1-Methoxy-3,10-dimethyl-9(10H)-acridinone","","CC1=CC2=C(C(=C1)OC)C(=O)C3=CC=CC=C3N2C","SKRQVAXNVNQCKW-UHFFFAOYSA-N","378397",NA,"PDBC09735","660815","Present"
-"1-Methoxy-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-ol","","","","","","","","","","","","","","","","","","","","exo-3,3-Dimethyl-1-methoxybicyclo[2.2.2]oct-5-en-2-ol///endo-3,3-Dimethyl-1-methoxybicyclo[2.2.2]oct-5-en-2-ol","","CC1(C2CCC(C1O)(C=C2)OC)C","VCNKUKSBEVXCPK-UHFFFAOYSA-N","377224",NA,"PDBC09736","658458///658462","Present"
-"1-Methoxy-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-one","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-1-methoxybicyclo[2.2.2]oct-5-en-2-one","","CC1(C2CCC(C1=O)(C=C2)OC)C","YXQDPNKKFYJJEW-UHFFFAOYSA-N","377227",NA,"PDBC09737","658461","Present"
-"1-Methoxy-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-yl methanesulfonate","","","","","","","","","","","","","","","","","","","","exo-5,5-Dimethyl-1-methoxy-6-[(methylsulfonyl)oxy] bicyc...","","CC1(C2CCC(C1OS(=O)(=O)C)(C=C2)OC)C","KCSBUXDDPJMVRA-UHFFFAOYSA-N","377225",NA,"PDBC09738","658459","Present"
-"1-Methoxy-3-(2-nitrovinyl)benzene","","","","","","","","","","","","","","","","","","","","1-methoxy-3-[(E)-2-nitrovinyl]benzene","","COC1=CC=CC(=C1)C=C[N+](=O)[O-]","IJBGIPFDIABTKB-AATRIKPKSA-N","710751",NA,"PDBC09739","783919","Present"
-"1-Methoxy-3-(octyloxy)-2-propanol","","","","","","","","","","","","","","","","","","","","LS-122470","","CCCCCCCCOCC(COC)O","WBQFDIOPTGUCHC-UHFFFAOYSA-N","372439",NA,"PDBC09740","647553","Present"
-"1-Methoxy-3-methyl-9H-carbazole","","","","","","","","","","","","","","","","","","","","Murrayafoline A","","CC1=CC2=C(C(=C1)OC)NC3=CC=CC=C32","HDETUOZJFUNSKG-UHFFFAOYSA-N","375150",NA,"PDBC09741","654284","Present"
-"1-Methoxy-4-(methoxymethoxy)benzene","","","","","","","","","","","","","","","","","","","","1-Methoxy-4-(methoxymethoxy)benzene","","COCOC1=CC=C(C=C1)OC","SXAGDDZDKOILKR-UHFFFAOYSA-N","358353",NA,"PDBC09742","618320","Present"
-"1-Methoxy-4-(methyl(phenylthio)amino)benzene","","","","","","","","","","","","","","","","","","","","1-Methoxy-4-(methyl(phenylthio)amino)benzene","","CN(C1=CC=C(C=C1)OC)SC2=CC=CC=C2","PWKYFGITWBBXDR-UHFFFAOYSA-N","375387",NA,"PDBC09743","655059","Present"
-"1-Methoxy-4-[1,2,3-trichloro-2,3-bis(trifluoromethyl)cyclopropyl]benzene","","","","","","","","","","","","","","","","","","","","1-Methoxy-4-[1,2,3-trichloro-2,3-bis(trifluoromethyl)cyclopropyl]benzene","","COC1=CC=C(C=C1)C2(C(C2(C(F)(F)F)Cl)(C(F)(F)F)Cl)Cl","ZQYYLVJQSCABIH-UHFFFAOYSA-N","357614",NA,"PDBC09744","617138","Present"
-"1-Methoxy-5,6,7-trimethyl-5-azatetracyclo[9.2.2.02,10.04,8]pentadeca-4(8),6,12-triene-3,9-dione","","","","","","","","","","","","","","","","","","","","1-Methoxy-5,6,7-trimethyl-5-azatetracyclo[9.2.2.02,10.04,8]pentadeca-4(8),6,12-triene-3,9-dione","","CC1=C(N(C2=C1C(=O)C3C4CCC(C3C2=O)(C=C4)OC)C)C","NDTURTFDFKXIBS-UHFFFAOYSA-N","393107",NA,"PDBC09745","694495","Present"
-"1-Methoxy-5-methylbicyclo[2.2.2]oct-5-ene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-Methoxy-5-methylbicyclo[2.2.2]oct-5-ene-2-carboxylic acid","","CC1=CC2(CCC1CC2C(=O)O)OC","NVYJFKDXIWMTOS-UHFFFAOYSA-N","357748",NA,"PDBC09746","617270","Present"
-"1-Methoxy-6,6-dimethyl-6,6a,7,8-tetrahydro-9H-benzo[c]chromen-9-one","","","","","","","","","","","","","","","","","","","","1-Methoxy-6,6-dimethyl-6,6a,7,8-tetrahydro-9H-benzo[c]chromen-9-one","","CC1(C2CCC(=O)C=C2C3=C(O1)C=CC=C3OC)C","ZYHGDNNDJMJQQZ-UHFFFAOYSA-N","373246",NA,"PDBC09747","649287","Present"
-"1-Methoxy-7,8-dimethylphenazine","","","","","","","","","","","","","","","","","","","","VU0419387-1","","CC1=CC2=NC3=C(C(=CC=C3)OC)N=C2C=C1C","APDKMOCVRREHQC-UHFFFAOYSA-N","372186",NA,"PDBC09748","647136","Present"
-"1-Methoxy-9H-carbazole-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","9H-Carbazole-3-carboxylic acid, 1-methoxy-","","COC1=CC(=CC2=C1NC3=CC=CC=C32)C(=O)O","VZOALRHIINZPKX-UHFFFAOYSA-N","375142",NA,"PDBC09749","654276","Present"
-"1-Methoxy-N'-(1-methoxy-4-phenylisoquinoline-3-carbonyl)-4-phenylisoquinoline-3-carbohydrazide","","","","","","","","","","","","","","","","","","","","1-Methoxy-N'-(1-methoxy-4-phenylisoquinoline-3-carbonyl)-4-phenylisoquinoline-3-carbohydrazide","","COC1=NC(=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NNC(=O)C4=C(C5=CC=CC=C5C(=N4)OC)C6=CC=CC=C6","XXKFRVWNZPWMRM-UHFFFAOYSA-N","388886",NA,"PDBC09750","684111","Present"
-"1-Methoxyindole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","Q63409863","","CON1C=C(C2=CC=CC=C21)C=O","NFGIENSPALNOON-UHFFFAOYSA-N","398554",NA,"PDBC09751","708490","Present"
-"1-Methoxyphenazine","","","","","","","","","","","","","","","","","","","","1-Methoxyphenazine","","COC1=CC=CC2=NC3=CC=CC=C3N=C21","ZYDGCYWJDWIJCS-UHFFFAOYSA-N","76137",NA,"PDBC09752","402756","Present"
-"1-Methyl 4-hydroxy-2-methyl-5-phenylpyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","1-Methyl 4-hydroxy-2-methyl-5-phenylpyrrole-3-carboxylate","","CC1CCC(C(C1)OC(=O)C2=C(NC(=C2O)C3=CC=CC=C3)C)C(C)C","PFCVPDHSSAWHDG-UHFFFAOYSA-N","393570",NA,"PDBC09753","695639","Present"
-"1-Methyl(1,2,4)triazolium-trans-tetrachlorobis-1-methyl ...","","","","","","","","","","","","","","","","","","","","1-Methyl(1,2,4)triazolium-trans-tetrachlorobis-1-methyl ...","","","","",NA,"PDBC09754","630130","Present"
-"1-Methyl-1$l^{5}-phosphinane 1-oxide","","","","","","","","","","","","","","","","","","","","1-Methyl-1lambda5-phosphinane 1-oxide","","CP1(=O)CCCCC1","QJHFNIXWDWGHAR-UHFFFAOYSA-N","357601",NA,"PDBC09755","617073","Present"
-"1-Methyl-1,10-phenanthrolin-1-ium methanesulfonate","","","","","","","","","","","","","","","","","","","","1-Methyl-1,10-phenanthrolin-1-ium methanesulfonate","","C[N+]1=CC=CC2=C1C3=C(C=CC=N3)C=C2.CS(=O)(=O)[O-]","TZEYRFFPBVDGSZ-UHFFFAOYSA-M","382323",NA,"PDBC09756","669793","Present"
-"1-Methyl-1,2-dihydropyrido[3,2-e]-1,2,4-triazine-3,3(4H)-dicarboxylic acid diethyl ester","","","","","","","","","","","","","","","","","","","","Diethyl 1-methyl-1,4-dihydropyrido[3,2-e][1,2,4]triazine-3,3(2h)-dicarboxylate","","CCOC(=O)C1(NC2=C(N=CC=C2)N(N1)C)C(=O)OCC","RZBSRCQSVKLFJF-UHFFFAOYSA-N","403846",NA,"PDBC09757","719380","Present"
-"1-Methyl-1,3,4,9-tetrahydro-beta-carbolin-2-ol","","","","","","","","","","","","","","","","","","","","1-Methyl-1,3,4,9-tetrahydro-beta-carbolin-2-ol","","CC1C2=C(CCN1O)C3=CC=CC=C3N2","XWSYHMGGUVKDIH-UHFFFAOYSA-N","363035",NA,"PDBC09758","627579","Present"
-"1-Methyl-1,4,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g][1,3]oxazino[4,5-b]quinoline","","","","","","","","","","","","","","","","","","","","4-Methyl-6,13,16-trioxa-2,4-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3(8),9,11,17-pentaene","","CN1COCC2=C1N=C3C=C4C(=CC3=C2)OCCO4","AIVTZLFWKVRBHH-UHFFFAOYSA-N","391049",NA,"PDBC09759","689581","Present"
-"1-Methyl-1,5,6,8a-tetrahydro[1,3]oxazolo[3,4-a]pyridin-3-one","","","","","","","","","","","","","","","","","","","","1-Methyl-1,5,6,8a-tetrahydro[1,3]oxazolo[3,4-a]pyridin-3-one","","CC1C2C=CCCN2C(=O)O1","DOIUQANRNPOOPX-UHFFFAOYSA-N","357875",NA,"PDBC09760","617409","Present"
-"1-Methyl-1,6-dihydro-11H-pyrazolo[3,4-a]acridin-11-one","","","","","","","","","","","","","","","","","","","","1-Methyl-1,6-dihydro-11H-pyrazolo[3,4-a]acridin-11-one","","CN1C2=C3C(=NC4=CC=CC=C4C3=O)C=CC2=CN1","AGGOJNMJZIPNOG-UHFFFAOYSA-N","364062",NA,"PDBC09761","629702","Present"
-"1-Methyl-1-(trimethylsilyl)allene","","","","","","","","","","","","","","","","","","","","1-Methyl-1-(trimethylsilyl)allene","","CC(=C=C)[Si](C)(C)C","BARFIQOXZWRCGW-UHFFFAOYSA-N","376772",NA,"PDBC09762","657832","Present"
-"1-Methyl-1-[(1-hydroxy-4-tert-butylcyclohexyl)methyl]-3-(4-methoxyphenyl)urea","","","","","","","","","","","","","","","","","","","","1-[(4-Tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4-methoxyphenyl)-1-methylurea","","CC(C)(C)C1CCC(CC1)(CN(C)C(=O)NC2=CC=C(C=C2)OC)O","JYVLIIFYJWHLFP-UHFFFAOYSA-N","403304",NA,"PDBC09763","718010","Present"
-"1-Methyl-1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-Methyl-1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea","","CN(CCC1=CC=CC=N1)C(=S)NN=CC2=CC=CC=N2","KQFOTJZIJFADKP-LDADJPATSA-N","9571905",NA,"PDBC09764","670780","Present"
-"1-Methyl-1-[2-[methyl-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioyl]amino]ethyl]-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-Methyl-1-[2-[methyl-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioyl]amino]ethyl]-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea","","CC(=NNC(=S)N(C)CCN(C)C(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2","AJPLVDXOZKHRDV-DFEHQXHXSA-N","9554738",NA,"PDBC09765","667880","Present"
-"1-Methyl-1-[4-(1-methylazocan-1-ium-1-yl)butyl]azocan-1-ium;bromide","","","","","","","","","","","","","","","","","","","","1-Methyl-1-[4-(1-methylazocan-1-ium-1-yl)butyl]azocan-1-ium;bromide","","C[N+]1(CCCCCCC1)CCCC[N+]2(CCCCCCC2)C.[Br-]","MFXAOHPXYRAHIV-UHFFFAOYSA-M","5351731",NA,"PDBC09766","28408","Present"
-"1-Methyl-1-phenyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea","","","","","","","","","","","","","","","","","","","","1-Methyl-1-phenyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea","","CC(=NNC(=S)NNC(=S)N(C)C1=CC=CC=C1)C2=CC=CC=N2","YEYJNOULIUIAFD-LDADJPATSA-N","9571796",NA,"PDBC09767","655909","Present"
-"1-Methyl-1-phenyl-5,7-diazaspiro[2.5]octane-4,6,8-trione","","","","","","","","","","","","","","","","","","","","1-Methyl-1-phenyl-5,7-diazaspiro[2.5]octane-4,6,8-trione","","CC1(CC12C(=O)NC(=O)NC2=O)C3=CC=CC=C3","PCPBKBKGHBUCNZ-UHFFFAOYSA-N","370539",NA,"PDBC09768","643766","Present"
-"1-Methyl-1-phenylphosphinan-1-ium;iodide","","","","","","","","","","","","","","","","","","","","1-Methyl-1-phenylphosphinan-1-ium;iodide","","C[P+]1(CCCCC1)C2=CC=CC=C2.[I-]","YJPSMZLSUQDRBQ-UHFFFAOYSA-M","357579",NA,"PDBC09769","617059","Present"
-"1-Methyl-2,3,5-tris(2-thienyl)pyrrole","","","","","","","","","","","","","","","","","","","","1-Methyl-2,3,5-tris(2-thienyl)pyrrole","","CN1C(=CC(=C1C2=CC=CS2)C3=CC=CS3)C4=CC=CS4","MWDLLINXKFKNRR-UHFFFAOYSA-N","395491",NA,"PDBC09770","700133","Present"
-"1-Methyl-2,5-di(2-thienyl)-3-(3-thienyl)-1H-pyrrole","","","","","","","","","","","","","","","","","","","","1-Methyl-2,5-di(2-thienyl)-3-(3-thienyl)-1H-pyrrole","","CN1C(=CC(=C1C2=CC=CS2)C3=CSC=C3)C4=CC=CS4","XHJQUARKQLCLFF-UHFFFAOYSA-N","376720",NA,"PDBC09771","657766","Present"
-"1-Methyl-2,6-diphenylpiperidin-4-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","1-Methyl-2,6-diphenylpiperidin-4-ol;hydrochloride","","CN1C(CC(CC1C2=CC=CC=C2)O)C3=CC=CC=C3.Cl","UDDPZCJKMWEEPF-UHFFFAOYSA-N","54603558",NA,"PDBC09772","49910","Present"
-"1-Methyl-2,6-diphenylpiperidin-4-one-O-benzyloxime","","","","","","","","","","","","","","","","","","","","Piperidine, 2,6-diphenyl-1-methyl-4-[(phenylmethoxy)imin...","","CN1C(CC(=NOCC2=CC=CC=C2)CC1C3=CC=CC=C3)C4=CC=CC=C4","VUCFRUBUXMGNIA-UHFFFAOYSA-N","338334",NA,"PDBC09773","360239","Present"
-"1-Methyl-2-(1-methyl-2,2-diphenylvinyl)-3,5-pyrazolidinedione","","","","","","","","","","","","","","","","","","","","1-Methyl-2-(1-methyl-2,2-diphenylvinyl)-3,5-pyrazolidinedione","","CC(=C(C1=CC=CC=C1)C2=CC=CC=C2)N3C(=O)CC(=O)N3C","YKCOENYICWBBCF-UHFFFAOYSA-N","392576",NA,"PDBC09774","693123","Present"
-"1-Methyl-2-(10H-phenothiazin-10-yl)ethyl methylcarbamate","","","","","","","","","","","","","","","","","","","","1-Methyl-2-(10H-phenothiazin-10-yl)ethyl methylcarbamate","","CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)NC","BRPSHGIHFRMHTI-UHFFFAOYSA-N","377570",NA,"PDBC09775","659135","Present"
-"1-Methyl-2-(2-(2,4,6-trimethoxyphenyl)ethenyl)quinolinium iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethen...","","C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=C(C=C(C=C3OC)OC)OC.[I-]","BSZCJECWUBRILW-CALJPSDSSA-M","6448044",NA,"PDBC09776","166675","Present"
-"1-Methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC27476","","CN1CCCCC1CCN2CCCCC2.Cl","HHTFNNFBOZCCQJ-UHFFFAOYSA-N","54598832",NA,"PDBC09777","27476","Present"
-"1-Methyl-2-(5-hexenyloxy)-5-[2-(5-hexenyloxy)phenyl]-1H-imidazole","","","","","","","","","","","","","","","","","","","","fumarate salt of 2-(hex-5-enyloxy)-5-(2-(hex-5-enyloxy)p...","","CN1C(=CN=C1OCCCCC=C)C2=CC=CC=C2OCCCCC=C","KYNHZQLXFMOHST-UHFFFAOYSA-N","46849526",NA,"PDBC09778","763112","Present"
-"1-Methyl-2-(methylthio)-4,5-bis(hydroxymethyl)imidazole","","","","","","","","","","","","","","","","","","","","1-Methyl-2-(methylthio)-4,5-bis(hydroxymethyl)imidazole","","CN1C(=C(N=C1SC)CO)CO","UOMQKJDFWKVMSV-UHFFFAOYSA-N","361111",NA,"PDBC09779","623920","Present"
-"1-Methyl-2-[(E)-2-nitroethenyl]-1H-indole","","","","","","","","","","","","","","","","","","","","1-Methyl-2-[(E)-2-nitroethenyl]-1H-indole","","CN1C2=CC=CC=C2C=C1C=C[N+](=O)[O-]","MFIKGARNCHFDPV-VOTSOKGWSA-N","5382055",NA,"PDBC09780","131888","Present"
-"1-Methyl-2-[2-methyl-1-(1-methylimidazol-2-yl)-2-nitro-propyl]imidazole","","","","","","","","","","","","","","","","","","","","1H-Imidazole, 2,2'-(2-methyl-2-nitropropylidene)bis[1-me...","","CC(C)(C(C1=NC=CN1C)C2=NC=CN2C)[N+](=O)[O-]","ZDXFXEJLRGVLHR-UHFFFAOYSA-N","361750",NA,"PDBC09781","625016","Present"
-"1-Methyl-2-[[4-[3-(1H-pyrazol-4-yl)phenyl]pyrazol-1-yl]methyl]imidazole","","","","","","","","","","","","","","","","","","","","1-Methyl-2-[[4-[3-(1H-pyrazol-4-yl)phenyl]pyrazol-1-yl]methyl]imidazole","","CN1C=CN=C1CN2C=C(C=N2)C3=CC=CC(=C3)C4=CNN=C4","KZHCXMZUUBLUOL-UHFFFAOYSA-N","361758",NA,"PDBC09782","625024","Present"
-"1-Methyl-2-[benzoyl(ethoxycarbonyl)-methylene]imidazolidine","","","","","","","","","","","","","","","","","","","","1-Methyl-2-[benzoyl(ethoxycarbonyl)-methylene]imidazolidine","","CCOC(=O)C(=C(C1=CC=CC=C1)O)C2=NCCN2C","FZXJGYVFLFMFOR-SEYXRHQNSA-N","135499221",NA,"PDBC09783","645057","Present"
-"1-Methyl-2-methylsulfanyl-6,7-bis(2-thienyl)pteridin-4-one","","","","","","","","","","","","","","","","","","","","1-Methyl-2-methylsulfanyl-6,7-bis(2-thienyl)pteridin-4-one","","CN1C2=C(C(=O)N=C1SC)N=C(C(=N2)C3=CC=CS3)C4=CC=CS4","OVMXPUXYGUDJPL-UHFFFAOYSA-N","394288",NA,"PDBC09784","697655","Present"
-"1-Methyl-2-methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)purin-6-one","","","","","","","","","","","","","","","","","","","","1-Methyl-2-methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)purin-6-one","","CN1C(=O)C2=C(N=C1SC)N(C=N2)C3C(C(C(CO3)O)O)O","UJFIYPFEIVGXBG-UHFFFAOYSA-N","361529",NA,"PDBC09785","624653","Present"
-"1-Methyl-2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]purin-6-one","","","","","","","","","","","","","","","","","","","","1-Methyl-2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]purin-6-one","","CN1C(=O)C2=C(N=C1SC)N(C=N2)C3C(C(C(C(O3)CO)O)O)O","FMYIGYIGNUAPIW-UHFFFAOYSA-N","361530",NA,"PDBC09786","624654","Present"
-"1-Methyl-2-oxo-4-prop-2-ynyloxy-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 1-methyl-2-oxo-4-(prop-2-yn-1-yloxy)-1,2-dihydroquinoline-3-carboxylate","","CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)OCC#C","XDEZMBRUWBJTQN-UHFFFAOYSA-N","365758",NA,"PDBC09787","633787","Present"
-"1-Methyl-2-p-carboxyphenoxymethyl-o-carborane","","","","","","","","","","","","","","","","","","","","1-Methyl-2-p-carboxyphenoxymethyl-o-carborane","","","","",NA,"PDBC09788","676531","Present"
-"1-Methyl-2-p-dimethylamino-styryl-quinolinium iodide","","","","","","","","","","","","","","","","","","","","2m2m","","C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[I-]","VGLNXCCOYCGRLG-UHFFFAOYSA-M","5713121",NA,"PDBC09789","4238","Present"
-"1-Methyl-2-phenylpyrido[1,2-a]benzimidazol-4-ol","","","","","","","","","","","","","","","","","","","","1-Methyl-2-phenylpyrido[1,2-a]benzimidazol-4-ol","","CC1=C(C=C(C2=NC3=CC=CC=C3N12)O)C4=CC=CC=C4","WJQRGKKWFXPXMV-UHFFFAOYSA-N","384466",NA,"PDBC09790","674268","Present"
-"1-Methyl-2-pyrrolidinylidenecyanamide","","","","","","","","","","","","","","","","","","","","(Z)-(1-Methylpyrrolidin-2-ylidene)cyanamide","","CN1CCCC1=NC#N","JLOFNSGMKXFDDU-UHFFFAOYSA-N","379672",NA,"PDBC09791","664551","Present"
-"1-Methyl-2-thioxo-6-(4-ethylanilino)-1,2-dihydropyrimidine-4(3H)-one","","","","","","","","","","","","","","","","","","","","Uracil,6-[(4-ethylphenyl)amino]-1-methyl-2-thio-","","CCC1=CC=C(C=C1)NC2=CC(=O)NC(=S)N2C","LUOOKDJUIMWHCK-UHFFFAOYSA-N","3771604",NA,"PDBC09792","622185","Present"
-"1-Methyl-20-oxapentacyclo[14.3.1.02,15.04,13.06,11]icosa-4,6,8,10,12-pentaene-3,14,17-trione","","","","","","","","","","","","","","","","","","","","1-Methyl-20-oxapentacyclo[14.3.1.02,15.04,13.06,11]icosa-4,6,8,10,12-pentaene-3,14,17-trione","","CC12CCC(=O)C(O1)C3C2C(=O)C4=CC5=CC=CC=C5C=C4C3=O","CPKJQMAWBKOKKC-UHFFFAOYSA-N","406702",NA,"PDBC09793","724967","Present"
-"1-Methyl-24-oxahexacyclo[18.3.1.02,19.04,17.05,14.08,13]tetracosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione","","","","","","","","","","","","","","","","","","","","1-Methyl-24-oxahexacyclo[18.3.1.02,19.04,17.05,14.08,13]tetracosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione","","CC12CCC(=O)C(O1)C3C2C(=O)C4=C(C3=O)C=CC5=C4C=CC6=CC=CC=C65","QGTJSEGVNXFZKB-UHFFFAOYSA-N","406703",NA,"PDBC09794","724968","Present"
-"1-Methyl-2[(4-chlorobenzoyl)methylene]benzimidazoline","","","","","","","","","","","","","","","","","","","","1-Methyl-2[(4-chlorobenzoyl)methylene]benzimidazoline","","CN1C2=CC=CC=C2N=C1C=C(C3=CC=C(C=C3)Cl)O","IJJHPNDNBYYCGB-GDNBJRDFSA-N","135427247",NA,"PDBC09795","645061","Present"
-"1-Methyl-3,4-dihydro-1H-[1,3]thiazino[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Methyl-3,4-dihydro-1H-[1,3]thiazino[3,4-a]benzimidazole","","CC1N2C(=NC3=CC=CC=C32)CCS1","CJAPKFLFKHWZOA-UHFFFAOYSA-N","395903",NA,"PDBC09796","700998","Present"
-"1-Methyl-3,5-dithiophen-2-yl-2-thiophen-3-ylpyrrole","","","","","","","","","","","","","","","","","","","","1-Methyl-3,5-bis(2-thienyl)-2-(3-thienyl)pyrrole","","CN1C(=CC(=C1C2=CSC=C2)C3=CC=CS3)C4=CC=CS4","QXASDZSZSFDGGY-UHFFFAOYSA-N","395550",NA,"PDBC09797","700243","Present"
-"1-Methyl-3-((3-(methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[[3-(methylthio)-4-quinolinyl]thio]-4(1H)- qu...","","CN1C=C(C(=O)C2=CC=CC=C21)SC3=C(C=NC4=CC=CC=C43)SC","QNJWLZWBRUDNGL-UHFFFAOYSA-N","373249",NA,"PDBC09798","649313","Present"
-"1-Methyl-3-(2-methylimino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-yl)thiourea","","","","","","","","","","","","","","","","","","","","1-Methyl-3-(2-methylimino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-yl)thiourea","","CNC(=S)NC1=C2C3=C(CCCC3)SC2=NC(=NC)S1","MRTONXYDRNSROB-UHFFFAOYSA-N","3267867",NA,"PDBC09799","679233","Present"
-"1-Methyl-3-(2-methylsulfanylbenzimidazol-1-yl)urea","","","","","","","","","","","","","","","","","","","","1-Methyl-3-(2-methylsulfanylbenzimidazol-1-yl)urea","","CNC(=O)NN1C2=CC=CC=C2N=C1SC","KLJBHHNXLGZCQM-UHFFFAOYSA-N","394302",NA,"PDBC09800","697669","Present"
-"1-Methyl-3-(2-phenyl-1,3-b]pyridine","","","","","","","","","","","","","","","","","","","","1-methyl-3-(2-phenyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]...","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC=CC=C4","ITJNGALQQZWDTH-UHFFFAOYSA-N","53361433",NA,"PDBC09801","749860","Present"
-"1-Methyl-3-(2-thiiranylmethyl)-1,3-dihydro-2H-benzimidazol-2-one","","","","","","","","","","","","","","","","","","","","1-Methyl-3-(2-thiiranylmethyl)-1,3-dihydro-2H-benzimidazol-2-one","","CN1C2=CC=CC=C2N(C1=O)CC3CS3","XJXHNEXIORRGTH-UHFFFAOYSA-N","374915",NA,"PDBC09802","653500","Present"
-"1-Methyl-3-(3-methyl-3-selenetanyl)-1,3-dihydro-2H-benzimidazol-2-one","","","","","","","","","","","","","","","","","","","","1-Methyl-3-(3-methyl-3-selenetanyl)-1,3-dihydro-2H-benzimidazol-2-one","","CC1(C[Se]C1)N2C3=CC=CC=C3N(C2=O)C","ZOCXWHGCOHGDFJ-UHFFFAOYSA-N","374922",NA,"PDBC09803","653507","Present"
-"1-Methyl-3-(3-methyl-3-thietanyl)-1,3-dihydro-2H-benzimidazol-2-one","","","","","","","","","","","","","","","","","","","","1-Methyl-3-(3-methyl-3-thietanyl)-1,3-dihydro-2H-benzimidazol-2-one","","CC1(CSC1)N2C3=CC=CC=C3N(C2=O)C","XTTXQOOSUDFEGP-UHFFFAOYSA-N","374918",NA,"PDBC09804","653503","Present"
-"1-Methyl-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Methyl-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole","","CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C","FPKHOXPCSMHJHA-UHFFFAOYSA-N","384469",NA,"PDBC09805","674271","Present"
-"1-Methyl-3-(4-nitrophenyl)pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Methyl-3-(4-nitrophenyl)pyrazino[1,2-a]benzimidazole","","CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]","WOZYONMVXACFMM-UHFFFAOYSA-N","384472",NA,"PDBC09806","674274","Present"
-"1-Methyl-3-(methylsulfinyl)-2-(methylthio)-1H-indole","","","","","","","","","","","","","","","","","","","","1-Methyl-3-(methylsulfinyl)-2-(methylthio)-1H-indole","","CN1C2=CC=CC=C2C(=C1SC)S(=O)C","HWEHHJSDALVSHI-UHFFFAOYSA-N","379533",NA,"PDBC09807","664206","Present"
-"1-Methyl-3-[(1-methyl-2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[(1-methyl-2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one","","CN1C2=CC=CC=C2C(=C1Cl)C=C3C4=CC=CC=C4N(C3=O)C","FSSPYJWODXQJLZ-RVDMUPIBSA-N","24203157",NA,"PDBC09808","726906","Present"
-"1-Methyl-3-[(2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[(2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one","","CN1C2=CC=CC=C2C(=CC3=C(NC4=CC=CC=C43)Cl)C1=O","CXZKAEUTBZROPA-GXDHUFHOSA-N","24203156",NA,"PDBC09809","726905","Present"
-"1-Methyl-3-[(2-chloro-5-methoxy-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[(2-chloro-5-methoxy-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one","","CN1C2=CC=CC=C2C(=CC3=C(NC4=C3C=C(C=C4)OC)Cl)C1=O","YWVBGMWUFIOPCL-XNTDXEJSSA-N","10759489",NA,"PDBC09810","726895","Present"
-"1-Methyl-3-[(6-methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[(6-methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea","","CC1=C(N2C=CSC2=N1)C(=O)NNC(=S)NC","QAGCSZMGRHTHGV-UHFFFAOYSA-N","3001071",NA,"PDBC09811","649048","Present"
-"1-Methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1-[2-(2-pyridyl)ethyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1-[2-(2-pyridyl)ethyl]thiourea","","CC1=NC(=CC=C1)C=NNC(=S)N(C)CCC2=CC=CC=N2","VXLQGSTWRCRJRA-LDADJPATSA-N","9571920",NA,"PDBC09812","670968","Present"
-"1-Methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","CC1=NC(=CC=C1)C=NNC(=S)NC","VLDWATHTVJFAMU-IZZDOVSWSA-N","9554736",NA,"PDBC09813","667873","Present"
-"1-Methyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]-1-[2-(2-pyridyl)ethyl]thiourea","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]-1-[2-(2-pyridyl)ethyl]thiourea","","CN(CCC1=CC=CC=N1)C(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","WMWKYCLHXOCJDY-HIXSDJFHSA-N","9571617",NA,"PDBC09814","689532","Present"
-"1-Methyl-3-[(Z)-2-nitroethenyl]indole","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[(Z)-2-nitroethenyl]indole","","CN1C=C(C2=CC=CC=C21)C=C[N+](=O)[O-]","RZJUMQWTXIXIMY-SREVYHEPSA-N","1551121",NA,"PDBC09815","106246","Present"
-"1-Methyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea","","CNC(=S)N=NC1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])CN3CCOCC3)O","BECVKWUOGXBCEZ-UHFFFAOYSA-N","135426794",NA,"PDBC09816","718640","Present"
-"1-Methyl-3-[2-(4-methylphenyl)-1,3-b]pyridine","","","","","","","","","","","","","","","","","","","","1-methyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1H-pyrr...","","CC1=CC=C(C=C1)C2=NC(=CS2)C3=CN(C4=C3C=CC=N4)C","MZZXBWPHBZYMOK-UHFFFAOYSA-N","53361471",NA,"PDBC09817","749870","Present"
-"1-Methyl-3-[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]indole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]indole-4-carbonitrile","","CN1C=C(C2=C(C=CC=C21)C#N)C3=CC=C(C=C3)CCOC4CCCCO4","JTXWFGCXVHYEDK-UHFFFAOYSA-N","388277",NA,"PDBC09818","682918","Present"
-"1-Methyl-3-[5-(1-methylindol-3-yl)pyrazin-2-yl]indole","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[5-(1-methylindol-3-yl)pyrazin-2-yl]indole","","CN1C=C(C2=CC=CC=C21)C3=CN=C(C=N3)C4=CN(C5=CC=CC=C54)C","KZSUMFYTSVZIRZ-UHFFFAOYSA-N","396516",NA,"PDBC09819","702756","Present"
-"1-Methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine","","","","","","","","","","","","","","","","","","","","3,3'-(1H-pyrrole-2,5-diyl)bis(1-methyl-1H-pyrrolo[2,3-b]...","","CN1C=C(C2=C1N=CC=C2)C3=CC=C(N3)C4=CN(C5=C4C=CC=N5)C","RVCGJSPHBMELOP-UHFFFAOYSA-N","155805321",NA,"PDBC09820","778410","Present"
-"1-Methyl-3-[[9-(p-tolyl)purin-6-yl]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[[9-(p-tolyl)purin-6-yl]amino]thiourea","","CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)NNC(=S)NC","QNURNQJOGPWIGI-UHFFFAOYSA-N","3001719",NA,"PDBC09821","667704","Present"
-"1-Methyl-3-benzoyl-5-(trimethylsilylethynyl)-6-iodouracil","","","","","","","","","","","","","","","","","","","","1-Methyl-3-benzoyl-5-(trimethylsilylethynyl)-6-iodouracil","","CN1C(=C(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)C#C[Si](C)(C)C)I","NNGVFEDFUJFJCB-UHFFFAOYSA-N","45028653",NA,"PDBC09822","743560","Present"
-"1-Methyl-3-methylsulfanylpyridazin-1-ium-4,5-diamine;iodide","","","","","","","","","","","","","","","","","","","","NSC690588","","C[N+]1=NC(=C(C(=C1)N)N)SC.[I-]","AYRRAUZFRSJLFP-UHFFFAOYSA-N","391415",NA,"PDBC09823","690588","Present"
-"1-Methyl-3-octadecylimidazolium bis(trifluoromethylsulfonyl)imide","","","","","","","","","","","","","","","","","","","","1-Methyl-3-octadecylimidazolium bis(trifluoromethylsulfo...","","CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F","DMEDSJKEUMLSKF-UHFFFAOYSA-N","46191760",NA,"PDBC09824","747271","Present"
-"1-Methyl-3-octadecylimidazolium hexafluorophosphate","","","","","","","","","","","","","","","","","","","","1-Methyl-3-octadecylimidazolium hexafluorophosphate","","","","",NA,"PDBC09825","747270","Present"
-"1-Methyl-3-octadecylimidazolium tris(pentafluoroethyl)trifluorophosphate","","","","","","","","","","","","","","","","","","","","1-Methyl-3-octadecylimidazolium tris(pentafluoroethyl)tr...","","CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(C(F)(F)[P-](C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)(F)F)(F)(F)F","MWCBXOFCMFFOQR-UHFFFAOYSA-N","46191761",NA,"PDBC09826","747272","Present"
-"1-Methyl-3-phenyl-1,5-dihydro-2H-chromeno[4,3-b]pyridin-2-one","","","","","","","","","","","","","","","","","","","","1-Methyl-3-phenyl-1,5-dihydro-2H-chromeno[4,3-b]pyridin-2-one","","CN1C2=C(COC3=CC=CC=C32)C=C(C1=O)C4=CC=CC=C4","NWHBOPNLOKVPEM-UHFFFAOYSA-N","370998",NA,"PDBC09827","644859","Present"
-"1-Methyl-3-phenyl-2,5-bis(2-thienyl)pyrrole","","","","","","","","","","","","","","","","","","","","1-Methyl-3-phenyl-2,5-bis(2-thienyl)pyrrole","","CN1C(=CC(=C1C2=CC=CS2)C3=CC=CC=C3)C4=CC=CS4","MNWIRETYJBMPHC-UHFFFAOYSA-N","395552",NA,"PDBC09828","700245","Present"
-"1-Methyl-3-phenylanthra[1,9-bc]thiopyran-3-ium chloride","","","","","","","","","","","","","","","","","","","","Anthra[1,9-bc]thiopyranium, 1-methyl-3-phenyl-, chloride","","CC1=C[S+](C2=CC=CC3=CC4=CC=CC=C4C1=C32)C5=CC=CC=C5.[Cl-]","VMKSVEZAPHWOQO-UHFFFAOYSA-M","24193713",NA,"PDBC09829","156526","Present"
-"1-Methyl-3-phenylpyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","AJ-131/36477015","","CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=CC=C4","OZEPKGBSALEXRT-UHFFFAOYSA-N","384468",NA,"PDBC09830","674270","Present"
-"1-Methyl-3-phenylurea","","","","","","","","","","","","","","","","","","","","Defenuron","","CNC(=O)NC1=CC=CC=C1","SQBHGDSDVWCPHN-UHFFFAOYSA-N","13880",NA,"PDBC09831","10989","Present"
-"1-Methyl-3-piperidinyl 2-(1,3-cyclohexadien-1-yl)-2-hydroxy-3-pentynoate","","","","","","","","","","","","","","","","","","","","1-Methyl-3-piperidinyl 2-(1,3-cyclohexadien-1-yl)-2-hydroxy-3-pentynoate","","CC#CC(C1=CC=CCC1)(C(=O)OC2CCCN(C2)C)O","OJQQONOUYPXIHS-UHFFFAOYSA-N","380244",NA,"PDBC09832","665724","Present"
-"1-Methyl-3-piperidinyl 2-hydroxy-2,4-diphenyl-3-butynoate","","","","","","","","","","","","","","","","","","","","1-Methyl-3-piperidinyl 2-hydroxy-2,4-diphenyl-3-butynoate","","CN1CCCC(C1)OC(=O)C(C#CC2=CC=CC=C2)(C3=CC=CC=C3)O","UZJHZUSRSMFKQK-UHFFFAOYSA-N","380214",NA,"PDBC09833","665688","Present"
-"1-Methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","CC1N2C(=NC3=CC=CC=C32)CS1","LWMCALUODNGSKW-UHFFFAOYSA-N","382381",NA,"PDBC09834","669939","Present"
-"1-Methyl-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene","","","","","","","","","","","","","","","","","","","","(2R,4S,10R,12S)-6-Methyl-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene","","CC1=C2C3C(O3)C4=CC=CC5=C4C2=C(C=C1)C6C5O6","DATVPJORPPJYMB-HZMVEIRTSA-N","397372",NA,"PDBC09835","705025","Present"
-"1-Methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","1-Methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole","","CC1=NCCC2=CC3=C(C=C12)C4=CC=CC=C4N3","IPFHPGYODRLHBL-UHFFFAOYSA-N","284986",NA,"PDBC09836","141527","Present"
-"1-Methyl-4-((1,4,4-tris((4-methylphenyl)thio)butyl)thio)benzene","","","","","","","","","","","","","","","","","","","","1-Methyl-4-((1,4,4-tris((4-methylphenyl)thio)butyl)thio)benzene","","CC1=CC=C(C=C1)SC(CCC(SC2=CC=C(C=C2)C)SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C","NBQPHQYQQFSFNO-UHFFFAOYSA-N","361773",NA,"PDBC09837","625039","Present"
-"1-Methyl-4-((4-(4-methyl-1-piperazinyl)-3-pyridinyl)sulfonyl)piperazine","","","","","","","","","","","","","","","","","","","","1-Methyl-4-((4-(4-methyl-1-piperazinyl)-3-pyridinyl)sulfonyl)piperazine","","CN1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCN(CC3)C","IQVDNALPFKJGIF-UHFFFAOYSA-N","322292",NA,"PDBC09838","279184","Present"
-"1-Methyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","1-Methyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile","","CN1C=NC(=C(C1=S)C#N)N2CCCC2","AXCBIADDWGMIRB-UHFFFAOYSA-N","385032",NA,"PDBC09839","675885","Present"
-"1-Methyl-4-(13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperazine","","","","","","","","","","","","","","","","","","","","1-Methyl-4-(13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperazine","","CN1CCN(CC1)P2(=S)OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65","DCUIILHJCGVRLW-UHFFFAOYSA-N","360388",NA,"PDBC09840","622453","Present"
-"1-Methyl-4-(2-(5-methyl-2-oxocyclohexyl)-2-oxoethyl)-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","1-Methyl-4-(2-(5-methyl-2-oxocyclohexyl)-2-oxoethyl)-2,6-piperidinedione","","CC1CCC(=O)C(C1)C(=O)CC2CC(=O)N(C(=O)C2)C","SGUKJAITBUHBRR-UHFFFAOYSA-N","386124",NA,"PDBC09841","677756","Present"
-"1-Methyl-4-(2-(methylsulfonyl)hydrazono)-2-phenyl-1,4-dihydroquinoline-6-sulfonic acid","","","","","","","","","","","","","","","","","","","","(4E)-1-Methyl-4-(methylsulfonylhydrazinylidene)-2-phenylquinoline-6-sulfonic acid","","CN1C2=C(C=C(C=C2)S(=O)(=O)O)C(=NNS(=O)(=O)C)C=C1C3=CC=CC=C3","NCTIDJBXOKKDPP-OBGWFSINSA-N","5876827",NA,"PDBC09842","308791","Present"
-"1-Methyl-4-(2-oxo-2-(2-oxocyclohexyl)ethyl)-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","1-Methyl-4-(2-oxo-2-(2-oxocyclohexyl)ethyl)-2,6-piperidinedione","","CN1C(=O)CC(CC1=O)CC(=O)C2CCCCC2=O","MOCMGDQVYCKPOY-UHFFFAOYSA-N","359828",NA,"PDBC09843","621395","Present"
-"1-Methyl-4-(3-methylimidazol-3-ium-1-yl)-6-oxopyrimidin-2-olate","","","","","","","","","","","","","","","","","","","","1-Methyl-4-(3-methylimidazol-3-ium-1-yl)-6-oxo-pyrimidin-2-olate","","CN1C(=O)C=C(N=C1[O-])N2C=C[N+](=C2)C","BAMGJVKKEYCJCG-UHFFFAOYSA-N","399025",NA,"PDBC09844","709444","Present"
-"1-Methyl-4-(4-(4-methyl-2,5-diphenyl-1-piperazinyl)butyl)-2,5-diphenylpiperazine","","","","","","","","","","","","","","","","","","","","1-Methyl-4-(4-(4-methyl-2,5-diphenyl-1-piperazinyl)butyl)-2,5-diphenylpiperazine","","CN1CC(N(CC1C2=CC=CC=C2)CCCCN3CC(N(CC3C4=CC=CC=C4)C)C5=CC=CC=C5)C6=CC=CC=C6","AWZHEVVDEMZIDF-UHFFFAOYSA-N","380064",NA,"PDBC09845","665365","Present"
-"1-Methyl-4-(trityloxy)butyl 3,5-bis(hydroxy(oxido)amino)phenylcarbamate","","","","","","","","","","","","","","","","","","","","1-Methyl-4-(trityloxy)butyl 3,5-bis(hydroxy(oxido)amino)phenylcarbamate","","CC(CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)NC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","IARQFFMHMODHMK-UHFFFAOYSA-N","371699",NA,"PDBC09846","646149","Present"
-"1-Methyl-4-(trityloxy)butyl phenylcarbamate","","","","","","","","","","","","","","","","","","","","1-Methyl-4-(trityloxy)butyl phenylcarbamate","","CC(CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)NC4=CC=CC=C4","YILFDYHDKCFLPX-UHFFFAOYSA-N","371700",NA,"PDBC09847","646150","Present"
-"1-Methyl-4-P-dimethylamino-styryl-quinolinium-iodide","","","","","","","","","","","","","","","","","","","","4m2m","","C[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[I-]","VPDGOEIXZLKJNH-UHFFFAOYSA-M","12605846",NA,"PDBC09848","4239","Present"
-"1-Methyl-4-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)methyl]benzene","","","","","","","","","","","","","","","","","","","","1-Methyl-4-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)methyl]benzene","","CC1=CC=C(C=C1)C=C2C(=C(C(=C2Cl)Cl)Cl)Cl","GLCNSQWOANYMNW-UHFFFAOYSA-N","230812",NA,"PDBC09849","26112","Present"
-"1-Methyl-4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium;iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 1-methyl-4-[2-(2,4,5-trimethoxyphenyl)ethen...","","C[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC(=C(C=C3OC)OC)OC.[I-]","MKIDJORWLCQRKI-RRABGKBLSA-M","20832444",NA,"PDBC09850","180260","Present"
-"1-Methyl-4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium;iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 1-methyl-4-[2-(2,4,6-trimethoxyphenyl)ethen...","","C[N+]1=CC=C(C2=CC=CC=C21)C=CC3=C(C=C(C=C3OC)OC)OC.[I-]","PZJGTAYMFXHBRM-RRABGKBLSA-M","20832445",NA,"PDBC09851","186945","Present"
-"1-Methyl-4-[(E)-3-(1-methylpyridin-1-ium-4-yl)but-2-en-2-yl]pyridin-1-ium;iodide","","","","","","","","","","","","","","","","","","","","1-Methyl-4-[(E)-3-(1-methylpyridin-1-ium-4-yl)but-2-en-2-yl]pyridin-1-ium;iodide","","CC(=C(C)C1=CC=[N+](C=C1)C)C2=CC=[N+](C=C2)C.[I-]","GSIVDXHKCZQHBF-IERUDJENSA-M","54608538",NA,"PDBC09852","649485","Present"
-"1-Methyl-4-[2-(trifluoromethylsulfonyl)ethynyl]benzene","","","","","","","","","","","","","","","","","","","","(4-Methylphenyl)ethynyl trifluoromethyl sulfone","","CC1=CC=C(C=C1)C#CS(=O)(=O)C(F)(F)F","KQUPPVAQYMLSBV-UHFFFAOYSA-N","362876",NA,"PDBC09853","627321","Present"
-"1-Methyl-4-nitro-5-(1,3-thiazolo[5,4-b]pyridin-2-ylthio)imidazole","","","","","","","","","","","","","","","","","","","","1-Methyl-4-nitro-5-(1,3-thiazolo[5,4-b]pyridin-2-ylthio)imidazole","","CN1C=NC(=C1SC2=NC3=C(S2)N=CC=C3)[N+](=O)[O-]","BSVOCIDPCXVXDZ-UHFFFAOYSA-N","364610",NA,"PDBC09854","631138","Present"
-"1-Methyl-4-oxo-5,10-dimethoxy-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 5,10-dimethoxy-1-methyl-4-oxo-1,4-dihydrobenzo[g]quinoline-3-carboxylate","","CCOC(=O)C1=CN(C2=C(C3=CC=CC=C3C(=C2C1=O)OC)OC)C","CMCUGCVESSBXGT-UHFFFAOYSA-N","406556",NA,"PDBC09855","724704","Present"
-"1-Methyl-4-oxo-5-hydroxy-10-methoxy-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-Methyl-4-oxo-5-hydroxy-10-methoxy-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid","","CN1C=C(C(=O)C2=C(C3=CC=CC=C3C(=C21)OC)O)C(=O)O","SAVRPQBBCWXLPY-UHFFFAOYSA-N","5473265",NA,"PDBC09856","724703","Present"
-"1-Methyl-4-phenylazocane-4-carbonitrile;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC401418","","CN1CCCCC(CC1)(C#N)C2=CC=CC=C2.Cl","SUCQCWGQDMOGMY-UHFFFAOYSA-N","24200820",NA,"PDBC09857","401418","Present"
-"1-Methyl-4-piperidinyl (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)(hydroxy)phenylacetate","","","","","","","","","","","","","","","","","","","","1-Methyl-4-piperidinyl (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)(hydroxy)phenylacetate","","CC1(CC2=C(O1)C(=CC=C2)C(C3=CC=CC=C3)(C(=O)OC4CCN(CC4)C)O)C","RQMRNZXYQULMBL-UHFFFAOYSA-N","380213",NA,"PDBC09858","665686","Present"
-"1-Methyl-4-piperidinyl 4-methylbenzenesulfonate 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","4-Piperidinol, 1-methyl-, 4-methylbenzenesulfonate (este...","","CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(CC2)C","OCXAOPKCZQPJAQ-UHFFFAOYSA-N","287332",NA,"PDBC09859","147109","Present"
-"1-Methyl-4-piperidyl 2-pyridyl(1-propynyl)glycolate","","","","","","","","","","","","","","","","","","","","LS-131623","","CC#CC(C1=CC=CC=N1)(C(=O)OC2CCN(CC2)C)O","FRHRRFHZXFZKJA-UHFFFAOYSA-N","380377",NA,"PDBC09860","665894","Present"
-"1-Methyl-4-piperidyl 5-isothiazyl(phenyl)glycolate","","","","","","","","","","","","","","","","","","","","LS-86269","","CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=NS3)O","DUBGPZZEEYRMDD-UHFFFAOYSA-N","58705",NA,"PDBC09861","665882","Present"
-"1-Methyl-4-piperidyl cyclohexyl(1-propynyl)glycolate","","","","","","","","","","","","","","","","","","","","LS-56875","","CC#CC(C1CCCCC1)(C(=O)OC2CCN(CC2)C)O","KYEFWBWWXAMWAJ-UHFFFAOYSA-N","380034",NA,"PDBC09862","665328","Present"
-"1-Methyl-4-piperidyl cyclohexyl(4-methyl-1-butynyl)glycolate","","","","","","","","","","","","","","","","","","","","LS-56858","","CCCC#CC(C1CCCCC1)(C(=O)OC2CCN(CC2)C)O","FJMAJRUJYYJVLU-UHFFFAOYSA-N","380276",NA,"PDBC09863","665755","Present"
-"1-Methyl-4-piperidyl cyclopentyl(cis-1-butenyl)glycolate","","","","","","","","","","","","","","","","","","","","NSC665745","","CCC=CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O","KZQMQKXFKZZRSP-WCIBSUBMSA-N","5468174",NA,"PDBC09864","665745","Present"
-"1-Methyl-5,10-diphenyl-3,12-dioxa-4,6,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-4,7,10-triene","","","","","","","","","","","","","","","","","","","","1-Methyl-5,10-diphenyl-3,12-dioxa-4,6,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-4,7,10-triene","","CC12C3N(C=CN1C(=NO2)C4=CC=CC=C4)C(=NO3)C5=CC=CC=C5","PPVNWPZQHMZSPH-UHFFFAOYSA-N","394220",NA,"PDBC09865","697507","Present"
-"1-Methyl-5-(1-hexynyl)-6-iodouracil","","","","","","","","","","","","","","","","","","","","1-Methyl-5-(1-hexynyl)-6-iodouracil","","CCCCC#CC1=C(N(C(=O)NC1=O)C)I","FORKAPQDIYLFDI-UHFFFAOYSA-N","15476976",NA,"PDBC09866","743561","Present"
-"1-Methyl-5-(2-methyl-1-aziridinyl)-3-(hydroxymethyl)-1H-indole-4,7-dione","","","","","","","","","","","","","","","","","","","","23-(hydroxymethyl)-5-(2-methylaziridin-1-yl)-1-methylind...","","CC1CN1C2=CC(=O)C3=C(C2=O)C(=CN3C)CO","JOCMROYVEUOFBY-UHFFFAOYSA-N","10610417",NA,"PDBC09867","732424","Present"
-"1-Methyl-5-(2-thienyl)-2,3-di(3-thienyl)-1H-pyrrole","","","","","","","","","","","","","","","","","","","","1-Methyl-5-(2-thienyl)-2,3-di(3-thienyl)-1H-pyrrole","","CN1C(=CC(=C1C2=CSC=C2)C3=CSC=C3)C4=CC=CS4","MIGASLJKTIWJML-UHFFFAOYSA-N","376721",NA,"PDBC09868","657767","Present"
-"1-Methyl-5-(trimethylsilylethynyl)-6-iodouracil","","","","","","","","","","","","","","","","","","","","1-Methyl-5-(trimethylsilylethynyl)-6-iodouracil","","CN1C(=C(C(=O)NC1=O)C#C[Si](C)(C)C)I","WJUICXGQWVPDEB-UHFFFAOYSA-N","45028650",NA,"PDBC09869","743557","Present"
-"1-Methyl-5-[4-[1-methyl-4,5-bis(2-thienyl)pyrrol-2-yl]phenyl]-2,3-bis(2-thienyl)pyrrole","","","","","","","","","","","","","","","","","","","","1-Methyl-5-[4-[1-methyl-4,5-bis(2-thienyl)pyrrol-2-yl]phenyl]-2,3-bis(2-thienyl)pyrrole","","CN1C(=CC(=C1C2=CC=CS2)C3=CC=CS3)C4=CC=C(C=C4)C5=CC(=C(N5C)C6=CC=CS6)C7=CC=CS7","GFMRRPZEFCBCNZ-UHFFFAOYSA-N","376727",NA,"PDBC09870","657773","Present"
-"1-Methyl-5-nitro-3-phenyl-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","1H-1,2,4-Triazole, 1-methyl-5-nitro-3-phenyl-","","CN1C(=NC(=N1)C2=CC=CC=C2)[N+](=O)[O-]","NFBMECIYSPOVDT-UHFFFAOYSA-N","297981",NA,"PDBC09871","169547","Present"
-"1-Methyl-5-phenyl-2,3-bis(3-thienyl)pyrrole","","","","","","","","","","","","","","","","","","","","1-Methyl-5-phenyl-2,3-bis(3-thienyl)pyrrole","","CN1C(=CC(=C1C2=CSC=C2)C3=CSC=C3)C4=CC=CC=C4","KCPOPPGZZFNTNU-UHFFFAOYSA-N","395546",NA,"PDBC09872","700239","Present"
-"1-Methyl-5-phenyl-2,3-dithiophen-2-ylpyrrole","","","","","","","","","","","","","","","","","","","","1-Methyl-5-phenyl-2,3-dithiophen-2-ylpyrrole","","CN1C(=CC(=C1C2=CC=CS2)C3=CC=CS3)C4=CC=CC=C4","VTFMIJLUDAXCPG-UHFFFAOYSA-N","359203",NA,"PDBC09873","619913","Present"
-"1-Methyl-5-phenyl-3-(2-thienyl)-2-(3-thienyl)pyrrole","","","","","","","","","","","","","","","","","","","","1-Methyl-5-phenyl-3-(2-thienyl)-2-(3-thienyl)pyrrole","","CN1C(=CC(=C1C2=CSC=C2)C3=CC=CS3)C4=CC=CC=C4","SMERUGNPAPVBBB-UHFFFAOYSA-N","395545",NA,"PDBC09874","700238","Present"
-"1-Methyl-5-phenyl-7-(trifluoromethyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one","","","","","","","","","","","","","","","","","","","","1-Methyl-5-phenyl-7-(trifluoromethyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one","","CN1C2=C(N=C(C=C2C(F)(F)F)C3=CC=CC=C3)OC1=O","XJKKMCNMEYTIGT-UHFFFAOYSA-N","394921",NA,"PDBC09875","699022","Present"
-"1-Methyl-6,8-bis(4-methylphenyl)-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","","","","","","","","","","","","","","","","","","","1-Methyl-6,8-bis(4-methylphenyl)-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","CC1=CC=C(C=C1)N2C(=O)C3(N(N=CS3)C)N(C2=O)C4=CC=C(C=C4)C","AYWHLUFQWFIPTF-UHFFFAOYSA-N","364469",NA,"PDBC09876","630736","Present"
-"1-Methyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","","","","","","","","","","","","","","","","","","","1-Methyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","CN1C2(C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)SC=N1","BUSZCAPEDRBNFE-UHFFFAOYSA-N","363958",NA,"PDBC09877","629495","Present"
-"1-Methyl-6-(1-propoxyethoxy)-3-hexynyl 3,3,3-trichloropropanoate","","","","","","","","","","","","","","","","","","","","1-Methyl-6-(1-propoxyethoxy)-3-hexynyl 3,3,3-trichloropropanoate","","CCCOC(C)OCCC#CCC(C)OC(=O)CC(Cl)(Cl)Cl","FRMWUTYHVZATCK-UHFFFAOYSA-N","381428",NA,"PDBC09878","668016","Present"
-"1-Methyl-6-(2-phenylhydrazino)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","1-Methyl-6-(2-phenylhydrazino)-2,4(1H,3H)-pyrimidinedione","","CN1C(=CC(=O)NC1=O)NNC2=CC=CC=C2","PLRXHDHDDVWXKA-UHFFFAOYSA-N","385875",NA,"PDBC09879","677275","Present"
-"1-Methyl-6-oxo-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","1-Methyl-6-oxo-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile","","CN1C=NC(=C(C1=O)C#N)N2CCCC2","QBKTZHXMSXOHMN-UHFFFAOYSA-N","385031",NA,"PDBC09880","675884","Present"
-"1-Methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","1-Methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one","","CN1C2=C(C=N1)C(=O)NC(=N2)C3=CC=CC=C3","HHFJVXPADRAPAY-UHFFFAOYSA-N","135455617",NA,"PDBC09881","619157","Present"
-"1-Methyl-6-phenyl-7,12-pleiadenedione","","","","","","","","","","","","","","","","","","","","1-Methyl-6-phenyl-7,12-pleiadenedione","","CC1=C2C3=C(C=C1)C=CC(=C3C(=O)C4=CC=CC=C4C2=O)C5=CC=CC=C5","IPGFYNSYRXBKTQ-UHFFFAOYSA-N","363316",NA,"PDBC09882","628136","Present"
-"1-Methyl-6H-pyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","1-Methyl-6H-pyrido[4,3-b]carbazole","","CC1=C2C=C3C4=CC=CC=C4N=C3C=C2C=CN1","KEXJRLIZSKRXPC-UHFFFAOYSA-N","285249",NA,"PDBC09883","142053","Present"
-"1-Methyl-7-(phenylsulfonyl)-8-oxo-3,4,8,9-tetrahydro-3,9-diaza-5-thia-5H-cyclopenta[a]naphthalene-2-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 9-methyl-2-oxo-3-(phenylsulfonyl)-1,2,6,7-tetrahyd...","","CCOC(=O)C1=C(C2=C(N1)CSC3=C2NC(=O)C(=C3)S(=O)(=O)C4=CC=CC=C4)C","HRLLILZYWOTQJJ-UHFFFAOYSA-N","54612951",NA,"PDBC09884","749871","Present"
-"1-Methyl-7-oxo-6-oxabicyclo[3.2.1]octane-5-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Methyl-7-oxo-6-oxabicyclo[3.2.1]octane-5-carbonitrile","","CC12CCCC(C1)(OC2=O)C#N","IADFEOKSQIAMPI-UHFFFAOYSA-N","361360",NA,"PDBC09885","624386","Present"
-"1-Methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-4,10,16-tricarbaldehyde","","","","","","","","","","","","","","","","","","","","1-Methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-4,10,16-tricarbaldehyde","","CC12C3=C4C=CC(=C3OC5=C1C(=C(C=C5)C=O)OC6=C2C(=C(C=C6)C=O)O4)C=O","YPYFHLUZUWOSPH-UHFFFAOYSA-N","393364",NA,"PDBC09886","695171","Present"
-"1-Methyl-8-aza-1-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;perchlorate","","","","","","","","","","","","","","","","","","","","1-Methyl-8-aza-1-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;perchlorate","","C[N+]12CCN(C3=CC=CC=C31)C4=CC=CC=C24.[O-]Cl(=O)(=O)=O","NIZPVGUCHVAYJN-UHFFFAOYSA-M","14387749",NA,"PDBC09887","664007","Present"
-"1-Methyl-N'-phenylpiperidine-4-carbohydrazide;hydrochloride","","","","","","","","","","","","","","","","","","","","1-Methyl-N'-phenylpiperidine-4-carbohydrazide;hydrochloride","","CN1CCC(CC1)C(=O)NNC2=CC=CC=C2.Cl","AZLZCZKSVWJKEE-UHFFFAOYSA-N","24200122",NA,"PDBC09888","359415","Present"
-"1-Methyl-N,2,6-triphenylpiperidin-4-imine","","","","","","","","","","","","","","","","","","","","1-Methyl-N,2,6-triphenylpiperidin-4-imine","","CN1C(CC(=NC2=CC=CC=C2)CC1C3=CC=CC=C3)C4=CC=CC=C4","UVHKUWLZFPTNRD-UHFFFAOYSA-N","338148",NA,"PDBC09889","359383","Present"
-"1-Methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","1-Methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]benzimidazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2N1C)C3=NC=CN=C3","NUKIAKUHCYASBD-VCHYOVAHSA-N","9572088",NA,"PDBC09890","703102","Present"
-"1-Methyl-N-[(E)-1-pyrimidin-4-ylethylideneamino]benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","1-Methyl-N-[(E)-1-pyrimidin-4-ylethylideneamino]benzimidazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2N1C)C3=NC=NC=C3","OSAIKAVHADRYSU-VCHYOVAHSA-N","9572091",NA,"PDBC09891","703105","Present"
-"1-Methyl-N-[(E)-1-quinolin-2-ylethylideneamino]benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","1-Methyl-N-[(E)-1-quinolin-2-ylethylideneamino]benzimidazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2N1C)C3=NC4=CC=CC=C4C=C3","WRMHOSDOJVKXLZ-LPYMAVHISA-N","9572607",NA,"PDBC09892","722316","Present"
-"1-Methyl-N-[2-[methyl-[2-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]ethyl]amino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","1-Methyl-N-[2-[methyl-[2-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]ethyl]amino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide","","CN1C2=C(CC3=CC=CC=C32)C(=N1)C(=O)NCCN(C)CCNC(=O)C4=NN(C5=C4CC6=CC=CC=C65)C","HSGLAZWMTIZDEE-UHFFFAOYSA-N","399546",NA,"PDBC09893","710410","Present"
-"1-Methyl-N-[2-[methyl-[2-[(1-methylbenzo[g]indole-3-carbonyl)amino]ethyl]amino]ethyl]benzo[g]indole-3-carboxamide","","","","","","","","","","","","","","","","","","","","1-Methyl-N-[2-[methyl-[2-[(1-methylbenzo[g]indole-3-carbonyl)amino]ethyl]amino]ethyl]benzo[g]indole-3-carboxamide","","CN1C=C(C2=C1C3=CC=CC=C3C=C2)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=CC=CC=C65)C","HEWBJNOAXVXHID-UHFFFAOYSA-N","395027",NA,"PDBC09894","699189","Present"
-"1-Methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-b]pyrrole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-b]pyrrole-3-carboxamide","","","","","","","","","","","","","","","","","","","","1-Methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-b]pyrrole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-b]pyrrole-3-carboxamide","","CN1C=C(C2=C1C3=CC=CC=C3C2)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4CC6=CC=CC=C65)C","LJCPVYVZKXWPCL-UHFFFAOYSA-N","400629",NA,"PDBC09895","712787","Present"
-"1-Methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","1-Methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide","","CN1C2=C(CC3=CC=CC=C32)C(=N1)C(=O)NCCCN(C)CCCNC(=O)C4=NN(C5=C4CC6=CC=CC=C65)C","ALYPQNQVLSGRNW-UHFFFAOYSA-N","399549",NA,"PDBC09896","710413","Present"
-"1-Methyl-N-[3-[methyl-[3-[(1-methylbenzo[g]indole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indole-3-carboxamide","","","","","","","","","","","","","","","","","","","","1-Methyl-N-[3-[methyl-[3-[(1-methylbenzo[g]indole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indole-3-carboxamide","","CN1C=C(C2=C1C3=CC=CC=C3C=C2)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=CC=CC=C65)C","PYGBHCKSFFHZBX-UHFFFAOYSA-N","395028",NA,"PDBC09897","699190","Present"
-"1-Methyl-{N}-propyl-1{H}-pyrazolo[3,4-{d}]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4-d]pyrimidine, 1-methyl-4-propylamino-","","CCCNC1=C2C=NN(C2=NC=N1)C","JPVMCSXKFPMWDB-UHFFFAOYSA-N","221087",NA,"PDBC09898","47366","Present"
-"1-Methylbrassinin","","","","","","","","","","","","","","","","","","","","1-methylbrassinin","","CN1C=C(C2=CC=CC=C21)CNC(=S)SC","UDWCHLQLTMUNPW-UHFFFAOYSA-N","5472951",NA,"PDBC09899","722927","Present"
-"1-Methylchromeno[2,3-b]pyridin-1-ium-5-one;iodide","","","","","","","","","","","","","","","","","","","","1-Methylchromeno[2,3-b]pyridin-1-ium-5-one;iodide","","C[N+]1=CC=CC2=C1OC3=CC=CC=C3C2=O.[I-]","BPULBAJUBBXAOR-UHFFFAOYSA-M","355173",NA,"PDBC09900","608361","Present"
-"1-Methylchromeno[2,3-b]pyridine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-Methylchromeno[2,3-b]pyridine-2,5-dione","","CN1C(=O)C=CC2=C1OC3=CC=CC=C3C2=O","ZIWQAZXRARQSIN-UHFFFAOYSA-N","355947",NA,"PDBC09901","610782","Present"
-"1-Methylcyclopentane-1,2-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","1-Methylcyclopentane-1,2-dicarboxylic acid","","CC1(CCCC1C(=O)O)C(=O)O.CC1(CCCC1C(=O)O)C(=O)O","GJYRVKIYYDPFCC-UHFFFAOYSA-N","232835",NA,"PDBC09902","30799","Present"
-"1-Methylene-2,3-bis(p-tolyl)pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Methylene-2,3-bis(p-tolyl)pyrazino[1,2-a]benzimidazole","","CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)C","PQHWGMCWXYEHIG-UHFFFAOYSA-N","390233",NA,"PDBC09903","687525","Present"
-"1-Methylene-2,3-diphenyl-pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Methylene-2,3-diphenyl-pyrazino[1,2-a]benzimidazole","","C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=CC=C4)C5=CC=CC=C5","DSPVQHIMENGVIZ-UHFFFAOYSA-N","390227",NA,"PDBC09904","687519","Present"
-"1-Methylene-2-(4-methoxybenzyl)-3-(3-chlorophenyl)-1,2-a]-benzimidazole","","","","","","","","","","","","","","","","","","","","1-Methylene-2-(4-methoxybenzyl)-3-(3-chlorophenyl)-1,2-d...","","COC1=CC=C(C=C1)CN2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC(=CC=C5)Cl","CMBKEFGSZVFSAU-UHFFFAOYSA-N","54613563",NA,"PDBC09905","748541","Present"
-"1-Methylene-2-(4-nitrophenyl)-3-phenyl-pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Methylene-2-(4-nitrophenyl)-3-phenyl-pyrazino[1,2-a]benzimidazole","","C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5","NNTVTPWJSVXMMD-UHFFFAOYSA-N","390231",NA,"PDBC09906","687523","Present"
-"1-Methylene-2-phenyl-3-(p-tolyl)pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","Pyrazino[1,2-a]benzimidazole, 1-methylene- 3_(4-methylph...","","CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=CC=C5","CECIKOFNEZAOAI-UHFFFAOYSA-N","390232",NA,"PDBC09907","687524","Present"
-"1-Methylene-3-phenyl-2-(p-tolyl)pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Methylene-3-phenyl-2-(p-tolyl)pyrazino[1,2-a]benzimidazole","","CC1=CC=C(C=C1)N2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC=CC=C5","PBTQFUDXZOZFSD-UHFFFAOYSA-N","390228",NA,"PDBC09908","687520","Present"
-"1-Methylethyl 2-chloro-5-[N-methyl-(2-methoxybenzoyl)amino] benzoate","","","","","","","","","","","","","","","","","","","","1-Methylethyl 2-chloro-5-[N-methyl-(2-methoxybenzoyl)ami...","","CC(C)OC(=O)C1=C(C=CC(=C1)N(C)C(=O)C2=CC=CC=C2OC)Cl","WXZVGFQRERCLOG-UHFFFAOYSA-N","363565",NA,"PDBC09909","628536","Present"
-"1-Methylpyrazolium-trans-tetrachlorobis-1- methylpyrazol...","","","","","","","","","","","","","","","","","","","","1-Methylpyrazolium-trans-tetrachlorobis-1- methylpyrazol...","","","","",NA,"PDBC09910","630126","Present"
-"1-Methylpyrrolidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate hydrochloride","","","","","","","","","","","","","","","","","","","","AHR 376","","CN1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl","IUFZTNHOGFUUBG-UHFFFAOYSA-N","24194750",NA,"PDBC09911","172251","Present"
-"1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione","","","","","","","","","","","","","","","","","","","","1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione","","CC12C3C(C(O1)C(=O)C24CCC4)C(=O)C5=CC=CC=C5C3=O","SPFAVMVFRKWXAQ-UHFFFAOYSA-N","406704",NA,"PDBC09912","724969","Present"
-"1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione","","","","","","","","","","","","","","","","","","","","1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione","","CC12C3C(C(O1)C(=O)C24CC4)C(=O)C5=CC=CC=C5C3=O","PBZGMQZVRDSMKG-UHFFFAOYSA-N","406710",NA,"PDBC09913","724975","Present"
-"1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclobutane]-3,18,21-trione","","","","","","","","","","","","","","","","","","","","1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclobutane]-3,18,21-trione","","CC12C3C(C(O1)C(=O)C24CCC4)C(=O)C5=C(C3=O)C6=C(C=C5)C7=CC=CC=C7C=C6","UTMAKJGGEQXXGY-UHFFFAOYSA-N","406705",NA,"PDBC09914","724970","Present"
-"1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclopropane]-3,18,21-trione","","","","","","","","","","","","","","","","","","","","1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclopropane]-3,18,21-trione","","CC12C3C(C(O1)C(=O)C24CC4)C(=O)C5=C(C3=O)C6=C(C=C5)C7=CC=CC=C7C=C6","HYDDRTRXKRXTSY-UHFFFAOYSA-N","406709",NA,"PDBC09915","724974","Present"
-"1-Methylsulfanyl-1,3-dihydrobenzo[e]indol-2-one","","","","","","","","","","","","","","","","","","","","1-Methylsulfanyl-1,3-dihydrobenzo[e]indol-2-one","","CSC1C2=C(C=CC3=CC=CC=C32)NC1=O","SLGYWHYIUUFYBT-UHFFFAOYSA-N","392959",NA,"PDBC09916","694173","Present"
-"1-Monolinolenoyl-rac-glycerol","","","","","","","","","","","","","","","","","","","","1-Monolinolenoyl-rac-glycerol","","CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)O","GGJRAQULURVTAJ-PDBXOOCHSA-N","5367328",NA,"PDBC09917","607761","Present"
-"1-Morpholino-4-phenyl-bicyclo[2.2.2]octan-3-one oxime","","","","","","","","","","","","","","","","","","","","2-Hydroxyimino-1-phenyl-4(N-morpholino)bicyclo[2.2.2]octane","","C1CC2(CCC1(CC2=NO)N3CCOCC3)C4=CC=CC=C4","MUBUOVPWOVTACK-KNTRCKAVSA-N","6374899",NA,"PDBC09918","674056","Present"
-"1-Morpholinopyrimido[1,2-a]quinolin-3-one","","","","","","","","","","","","","","","","","","","","1-Morpholinopyrimido[1,2-a]quinolin-3-one","","C1COCCN1C2=CC(=O)N=C3N2C4=CC=CC=C4C=C3","ABBGHLMMVNLPFK-UHFFFAOYSA-N","388269",NA,"PDBC09919","682883","Present"
-"1-N',2-N'-Bis[(Z)-(4-hydroxyphenyl)methylideneamino]ethanediimidamide","","","","","","","","","","","","","","","","","","","","1-N',2-N'-Bis[(Z)-(4-hydroxyphenyl)methylideneamino]ethanediimidamide","","C1=CC(=CC=C1C=NN=C(C(=NN=CC2=CC=C(C=C2)O)N)N)O","WPZNUCNQTDZZEK-QJUDHZBZSA-N","135408516",NA,"PDBC09920","47468","Present"
-"1-N,1-N'-Bis[1-(1-adamantyl)ethyl]-3,4,4-trichloro-2-nitrobuta-1,3-diene-1,1-diamine","","","","","","","","","","","","","","","","","","","","1,3-Butadiene-1,1-diamine, 3,4,4-trichloro-2-nitro-N,N'-...","","CC(C12CC3CC(C1)CC(C3)C2)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC(C)C45CC6CC(C4)CC(C6)C5","XDLJPIYOSCWLFS-UHFFFAOYSA-N","394729",NA,"PDBC09921","698397","Present"
-"1-N,1-N,4-N,4-N-Tetra(propan-2-yl)cubane-1,4-dicarboxamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~,N~4~,N~4~-Tetraisopropyl-1,4-cubanedicarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)N(C(C)C)C(C)C","AOAICZVPHIDOQP-UHFFFAOYSA-N","369191",NA,"PDBC09922","640897","Present"
-"1-N,1-N-Diethyl-4-N-(2-methoxy-6-methylacridin-9-yl)pentane-1,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","Acridine, 9-[(4-diethylamino-1-methylbutyl)amino]-2-meth...","","CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)C)OC.Cl","WYVZBZLZJFKWJP-UHFFFAOYSA-N","54602016",NA,"PDBC09923","14079","Present"
-"1-N,1-N-Diethyl-4-N-(7-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid","","","","","","","","","","","","","","","","","","","","1-N,1-N-Diethyl-4-N-(7-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine","","CCN(CC)CCCC(C)NC1=CC(=NC2=C1C=CC(=C2)OC)C3=CC=CC=C3.OP(=O)(O)O","SDQQWOCNNRWEHV-UHFFFAOYSA-N","22210399",NA,"PDBC09924","13484","Present"
-"1-N,1-N-Diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine","","","","","","","","","","","","","","","","","","","","1-N,1-N-Diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine","","CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC3=CC=CC=C3","ITYQJLOPXWLWNV-UHFFFAOYSA-N","224742",NA,"PDBC09925","56655","Present"
-"1-N,3-N-Bis[4-[2-chloroethyl(ethyl)amino]phenyl]-5-N-[2-(dimethylamino)ethyl]benzene-1,3,5-tricarboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","1-N,3-N-Bis[4-[2-chloroethyl(ethyl)amino]phenyl]-5-N-[2-(dimethylamino)ethyl]benzene-1,3,5-tricarboxamide;hydrochloride","","CCN(CCCl)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NCCN(C)C)C(=O)NC3=CC=C(C=C3)N(CC)CCCl.Cl","LMYNFMFUCCTHOO-UHFFFAOYSA-N","384805",NA,"PDBC09926","675255","Present"
-"1-N,4-N-Bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine","","","","","","","","","","","","","","","","","","","","1-N,4-N-Bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine","","CC1=C(N=C(S1)NC2=CC=C(C=C2)NC3=NC(=C(S3)C)C4=CC=CC=C4)C5=CC=CC=C5","VTDVNFSLINQWOW-UHFFFAOYSA-N","399510",NA,"PDBC09927","710373","Present"
-"1-N,4-N-Bis[(E)-(5-nitrofuran-2-yl)methylideneamino]benzene-1,4-dicarboxamide","","","","","","","","","","","","","","","","","","","","1-N,4-N-Bis[(E)-(5-nitrofuran-2-yl)methylideneamino]benzene-1,4-dicarboxamide","","C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-]","CWRZLLPKFXJVOW-LQGKIZFRSA-N","9572305",NA,"PDBC09928","710905","Present"
-"1-N,4-N-Bis[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzene-1,4-dicarboxamide","","","","","","","","","","","","","","","","","","","","1-N,4-N-Bis[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzene-1,4-dicarboxamide","","C1=CC(=CC=C1C(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-])C(=O)NN=CC=CC3=CC=C(O3)[N+](=O)[O-]","YNZMEJUCGATQOO-OMUNZOLNSA-N","9572304",NA,"PDBC09929","710904","Present"
-"1-N,4-N-Bis[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide","","","","","","","","","","","","","","","","","","","","1-N,4-N-Bis[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide","","C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)N(CCCl)CCCl)N(CCCl)CCCl","IJFFQBLNPZTBAM-JTOYJDTJSA-N","9554616",NA,"PDBC09930","164878","Present"
-"1-N,4-N-Bis[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperazine-1,4-dicarbothioamide","","","","","","","","","","","","","","","","","","","","1-N,4-N-Bis[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperazine-1,4-dicarbothioamide","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)N3CCN(CC3)C(=S)NN=CC4=C(N(N(C4=O)C5=CC=CC=C5)C)C","GWWYAIOHOKAKIV-CDSIFPFTSA-N","6371863",NA,"PDBC09931","701208","Present"
-"1-N,4-N-Bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","1-N,4-N-Bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide;hydrochloride","","CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C23CCC(CC2)(CC3)C(=O)NC4=CC(=CC(=C4)CN(C)C)N(CC)CCCl)CN(C)C.Cl","LFCRGFVDUGXRNB-UHFFFAOYSA-N","384793",NA,"PDBC09932","675249","Present"
-"1-N-(1-Azabicyclo[2.2.2]octan-3-yl)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;naphthalene-1,5-disulfonic acid","","","","","","","","","","","","","","","","","","","","1-N-(1-Azabicyclo[2.2.2]octan-3-yl)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;naphthalene-1,5-disulfonic acid","","CC(CCCNC1CN2CCC1CC2)NC3=C4C(=CC(=C3)OC)C=CC=N4.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O","JVMYHPFGGXVKBO-UHFFFAOYSA-N","54600630",NA,"PDBC09933","306108","Present"
-"1-N-Butyl-4-N-phenylbenzene-1,4-diamine","","","","","","","","","","","","","","","","","","","","1,4-benzenediamine (9ci), n-butyl-n'-phenyl-","","CCCCNC1=CC=C(C=C1)NC2=CC=CC=C2","PIPXINMICYUFAD-UHFFFAOYSA-N","229938",NA,"PDBC09934","24030","Present"
-"1-N-Methyl monastrol","","","","","","","","","","","","","","","","","","","","1-N-Methyl monastrol","","CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)O)C)C","RQRFWGMMFZZAKV-UHFFFAOYSA-N","5472255",NA,"PDBC09935","717307","Present"
-"1-N-Methyl-2-phenyl-4-(3',5'-trimethoxybenzylidine)-pyrazolo[1,5-a]indolinium trifluoromethane sulfonate","","","","","","","","","","","","","","","","","","","","1-N-Methyl-2-phenyl-4-(3',4',5'-trimethoxybenzylidine)-p...","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC(=C(C(=C4)OC)OC)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","ABTRGBPZHBNPDD-UXTSPRGOSA-M","5470313",NA,"PDBC09936","699474","Present"
-"1-N-[3-[2-Chloroethyl(ethyl)amino]phenyl]-4-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","1-N-[3-[2-Chloroethyl(ethyl)amino]phenyl]-4-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride","","CCN(CCCl)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN(C)C.Cl","FRVRUWMTSOPATN-UHFFFAOYSA-N","384803",NA,"PDBC09937","675254","Present"
-"1-Naphthalen-1-yl-3-(4-sulfamoylphenyl)urea","","","","","","","","","","","","","","","","","","","","STK452192","","C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=C(C=C3)S(=O)(=O)N","QZAYRXXVTLUCHY-UHFFFAOYSA-N","307519",NA,"PDBC09938","205628","Present"
-"1-Naphthalen-1-yl-3-[6-(naphthalen-1-ylmethylamino)hexyl]urea","","","","","","","","","","","","","","","","","","","","3-(1-Naphthyl)-1-[6-(1-naphthylmethylamino)hexyl]urea","","C1=CC=C2C(=C1)C=CC=C2CNCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43","KGSYZKSKBBQYHF-UHFFFAOYSA-N","387931",NA,"PDBC09939","682236","Present"
-"1-Naphthalen-1-yl-3-[8-(naphthalen-1-ylcarbamoylamino)octyl]urea","","","","","","","","","","","","","","","","","","","","3-(1-Naphthyl)-1-[8-(1-naphthylcarbamoylamino)octyl]urea","","C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43","YCWLPVADSISLLI-UHFFFAOYSA-N","387932",NA,"PDBC09940","682237","Present"
-"1-Naphthalen-1-yl-N-[2-(naphthalen-1-ylmethylideneamino)ethyl]methanimine","","","","","","","","","","","","","","","","","","","","N~1~,N~2~-Bis(1-naphthylmethylene)-1,2-ethanediamine","","C1=CC=C2C(=C1)C=CC=C2C=NCCN=CC3=CC=CC4=CC=CC=C43","HEDFJWUXBLLAKT-UHFFFAOYSA-N","361325",NA,"PDBC09941","624351","Present"
-"1-Naphthalen-2-yl-3-(1,2,4-triazol-4-yl)urea","","","","","","","","","","","","","","","","","","","","1-(2-Naphthyl)-3-(1,2,4-triazol-4-yl)urea","","C1=CC=C2C=C(C=CC2=C1)NC(=O)NN3C=NN=C3","CKFBWKYVHBWZTK-UHFFFAOYSA-N","393652",NA,"PDBC09942","695917","Present"
-"1-Naphthalenecarboxamide,N'-1,8-(octanediyl)bis-","","","","","","","","","","","","","","","","","","","","1-Naphthalenecarboxamide, N,N'-1,8-(octanediyl)bis-","","C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCCCNC(=O)C3=CC=CC4=CC=CC=C43","LRAQTEGZWQCIKJ-UHFFFAOYSA-N","364097",NA,"PDBC09943","629738","Present"
-"1-Naphthalenemethanol,1-dimethylethyl]-4-methoxy, hydrochloride","","","","","","","","","","","","","","","","","","","","1-Naphthalenemethanol, .alpha.-[2-(dibutylamino)-1,1-dim...","","CCCCN(CCCC)CC(C)(C)C(C1=CC=C(C2=CC=CC=C21)OC)O.Cl","KNQFKZABVQPTFY-UHFFFAOYSA-N","24181636",NA,"PDBC09944","10587","Present"
-"1-Naphthalenepropanol, alpha-ethenyldecahydro-3-hydroxy-alpha,5,5,8a-tetramethyl-2-methylene-","","","","","","","","","","","","","","","","","","","","1-Naphthalenepropanol, .alpha.-ethenyldecahydro-3-hydrox...","","CC1(CCCC2(C1CC(C(=C)C2CCC(C)(C=C)O)O)C)C","ANTWOQSCTZFYJO-UHFFFAOYSA-N","299929",NA,"PDBC09945","173908","Present"
-"1-Naphthalenesulfonic acid, 3-((4-sulfo-2-naphthalenyl)-NNO-azoxy)-","","","","","","","","","","","","","","","","","","","","1-Naphthalenesulfonic acid, 3-((4-sulfo-2-naphthalenyl)-NNO-azoxy)-","","C1=CC=C2C(=C1)C=C(C=C2S(=O)(=O)O)N=[N+](C3=CC4=CC=CC=C4C(=C3)S(=O)(=O)O)[O-]","JOYRCGQZVNLGGX-UHFFFAOYSA-N","235538",NA,"PDBC09946","37031","Present"
-"1-Naphthalenol, 4-nitroso-","","","","","","","","","","","","","","","","","","","","1-Naphthalenol, 4-nitroso- (9CI)","","C1=CC=C2C(=C1)C(=CC=C2O)N=O","ZVNOVIBCAIDQOE-UHFFFAOYSA-N","69064",NA,"PDBC09947","5417","Present"
-"1-Naphthylamine, N-(2-oxazolyl)-","","","","","","","","","","","","","","","","","","","","LS-95745","","C1=CC=C2C(=C1)C=CC=C2NC3=NC=CO3","QPVKBSBPGROOBY-UHFFFAOYSA-N","57834",NA,"PDBC09948","659237","Present"
-"1-Naphthylamine, N-(5-amino-2-oxazolyl)-","","","","","","","","","","","","","","","","","","","","LS-95715","","C1=CC=C2C(=C1)C=CC=C2NC3=NC=C(O3)N","GRNQAURYARKQCV-UHFFFAOYSA-N","59275",NA,"PDBC09949","659261","Present"
-"1-Nitro-1-(1-nitrocyclopentyl)cyclopentane","","","","","","","","","","","","","","","","","","","","1,1'-DINITRODICYCLOPENTYL","","C1CCC(C1)(C2(CCCC2)[N+](=O)[O-])[N+](=O)[O-]","RQLQCUSIOMTSSH-UHFFFAOYSA-N","392324",NA,"PDBC09950","692600","Present"
-"1-Nitro-1-methyl-2-naphtylethene","","","","","","","","","","","","","","","","","","","","CS-0060737","","CC(=CC1=CC2=CC=CC=C2C=C1)[N+](=O)[O-]","DTZVIBZSHDZFPP-CSKARUKUSA-N","5381681",NA,"PDBC09951","121155","Present"
-"1-Nitro-2-(phenylsulfonyl)benzene","","","","","","","","","","","","","","","","","","","","Benzene, 1-nitro-2-(phenylsulfonyl)-","","C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","GKNMUCPEXSCGKC-UHFFFAOYSA-N","64984",NA,"PDBC09952","624231","Present"
-"1-Nitro-2-tosylbenzene","","","","","","","","","","","","","","","","","","","","Benzene, 1-[(4-methylphenyl)sulfonyl]-2-nitro-","","CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","JPGVTAXHQBLUJH-UHFFFAOYSA-N","363133",NA,"PDBC09953","627708","Present"
-"1-Nitro-3-(2-nitroethyl)benzene","","","","","","","","","","","","","","","","","","","","1-Nitro-3-(2-nitroethyl)benzene","","C1=CC(=CC(=C1)[N+](=O)[O-])CC[N+](=O)[O-]","FFBMBNOWZMJDCS-UHFFFAOYSA-N","367366",NA,"PDBC09954","637005","Present"
-"1-Nitro-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene","","","","","","","","","","","","","","","","","","","","(2S,4R,10R,12S)-6-Nitro-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene","","C1=CC2=C3C(=C1)C4C(O4)C5=C(C=CC(=C53)C6C2O6)[N+](=O)[O-]","PSJVYDKXINWURE-XUWVNRHRSA-N","397364",NA,"PDBC09955","705017","Present"
-"1-Nitro-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene","","","","","","","","","","","","","","","","","","","","(2R,4S,10R,12S)-6-Nitro-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene","","C1=CC2=C3C(=C1)C4C(O4)C5=C(C=CC(=C53)C6C2O6)[N+](=O)[O-]","PSJVYDKXINWURE-JJXSEGSLSA-N","397365",NA,"PDBC09956","705018","Present"
-"1-Nitro-6H-benzimidazolo[2,1-b]quinazolin-12-one","","","","","","","","","","","","","","","","","","","","1-Nitrobenzimidazo[2,1-b]quinazolin-12(6h)-one","","C1=CC=C2C(=C1)NC3=NC4=C(C(=CC=C4)[N+](=O)[O-])C(=O)N23","RLXSFRKSGMVOAS-UHFFFAOYSA-N","403982",NA,"PDBC09957","719973","Present"
-"1-Nitro-9-(2-hydroxyethylamino)-acridine hydrochloride","","","","","","","","","","","","","","","","","","","","n-(2-hydroxyethyl)-1-nitro-9-acridineamine, hcl salt","","C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCO.Cl","WGUCIXFYKBZJBZ-UHFFFAOYSA-N","371504",NA,"PDBC09958","645803","Present"
-"1-Nitro-9-(3-isopropylaminopropylamino)acridine","","","","","","","","","","","","","","","","","","","","1-Nitro-9-(3-isopropylaminopropylamino)acridine","","CC(C)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]","QXNCBKQFKXJKGD-UHFFFAOYSA-N","149747",NA,"PDBC09959","673790","Present"
-"1-Nitro-9-oxo-10H-acridine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-Nitro-9-oxo-10H-acridine-4-carboxylic acid","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)C(=O)O)[N+](=O)[O-]","RZCJSUVWYHPKQD-UHFFFAOYSA-N","363814",NA,"PDBC09960","629028","Present"
-"1-Nitroso-1,3-bis(prop-2-ynyl)urea","","","","","","","","","","","","","","","","","","","","BPNU","","C#CCNC(=O)N(CC#C)N=O","TWGIBGMGJQITKT-UHFFFAOYSA-N","366406",NA,"PDBC09961","634775","Present"
-"1-Nitroso-2,6-diphenylpiperidin-4-one oxime","","","","","","","","","","","","","","","","","","","","1-Nitroso-2,6-diphenylpiperidin-4-one oxime","","C1C(N(C(CC1=NO)C2=CC=CC=C2)N=O)C3=CC=CC=C3","VNAFUGYZYRNVJV-UHFFFAOYSA-N","376283",NA,"PDBC09962","656997","Present"
-"1-Nitroso-2,6-diphenylpiperidine","","","","","","","","","","","","","","","","","","","","1-Nitroso-2,6-diphenylpiperidine","","C1CC(N(C(C1)C2=CC=CC=C2)N=O)C3=CC=CC=C3","MORPGHSBVNIXMM-UHFFFAOYSA-N","362606",NA,"PDBC09963","626736","Present"
-"1-Nitroso-2,7-diphenyl-1,4-diazepan-5-one","","","","","","","","","","","","","","","","","","","","1-Nitroso-2,7-diphenyl-1,4-diazepan-5-one","","C1C(N(C(CNC1=O)C2=CC=CC=C2)N=O)C3=CC=CC=C3","KKRMFFAUUDPTSQ-UHFFFAOYSA-N","362615",NA,"PDBC09964","626745","Present"
-"1-Nitroso-2-naphthol","","","","","","","","","","","","","","","","","","","",".alpha.-Nitroso-.beta.-naphthol oxime","","C1=CC=C2C(=C1)C=CC(=C2N=O)O","YXAOOTNFFAQIPZ-UHFFFAOYSA-N","8580",NA,"PDBC09965","107835","Present"
-"1-Nitroso-3-nitro-3-ethylazetidine","","","","","","","","","","","","","","","","","","","","3-Ethyl-3-nitro-1-nitrosoazetidine","","CCC1(CN(C1)N=O)[N+](=O)[O-]","NBJPPEDGINAGOH-UHFFFAOYSA-N","385836",NA,"PDBC09966","677233","Present"
-"1-Nitroso-4-(pyridin-3-ylamino)naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-Nitroso-4-(pyridin-3-ylamino)naphthalen-2-ol","","C1=CC=C2C(=C1)C(=CC(=C2N=O)O)NC3=CN=CC=C3","VRYAIKWDPUUMIG-UHFFFAOYSA-N","376615",NA,"PDBC09967","657646","Present"
-"1-Nonyl-3-(2',5'-diethoxycarbonyl-1',4'-dihydropyridyl-4')pyridinium bromide","","","","","","","","","","","","","","","","","","","","1-Nonyl-3-(2',6'-dimethyl-3',5'-diethoxycarbonyl-1',4'-d...","","CCCCCCCCC[N+]1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC.[Br-]","UJDGJTZVKTYPQJ-UHFFFAOYSA-N","393566",NA,"PDBC09968","695636","Present"
-"1-O-(3-O-beta-D-Glucopyranosylbutyryl)pancratistatin","","","","","","","","","","","","","","","","","","","","1-O-(3-O-.beta.-D-glucopyranosylbutyryl)pancratistatin","","CC(CC(=O)COC1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)OC5C(C(C(C(O5)CO)O)O)O","RNZYQZGSIRTMOP-OBHNLAGLSA-N","398556",NA,"PDBC09969","708496","Present"
-"1-O-(Benzyl(hydroxy)phosphoryl)hex-2-ulopyranose","","","","","","","","","","","","","","","","","","","","1-O-(Benzyl(hydroxy)phosphoryl)hex-2-ulopyranose","","C1C(C(C(C(O1)(COP(=O)(CC2=CC=CC=C2)O)O)O)O)O","ROCCZBCBIYPGQQ-UHFFFAOYSA-N","379335",NA,"PDBC09970","663881","Present"
-"1-O-Benzyl 12-O-ethyl (5aS,5bR,11aR,12S)-11-oxo-2,3,4,5a,5b,6,7,8,9,11a,12,12a-dodecahydroindolizino[1,2-g]quinoline-1,12-dicarboxylate","","","","","","","","","","","","","","","","","","","","1-O-Benzyl 12-O-ethyl (5aS,5bR,11aR,12S)-11-oxo-2,3,4,5a,5b,6,7,8,9,11a,12,12a-dodecahydroindolizino[1,2-g]quinoline-1,12-dicarboxylate","","CCOC(=O)C1C2C(C=C3C1N(CCC3)C(=O)OCC4=CC=CC=C4)C5CCCCN5C2=O","JPWYSBUFLCCCKU-ITGJKDDRSA-N","401685",NA,"PDBC09971","715415","Present"
-"1-O-Benzyl 5-O-methyl (5S)-2-oxo-3-(3-phenylpropanoyl)imidazolidine-1,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","1-O-Benzyl 5-O-methyl (5S)-2-oxo-3-(3-phenylpropanoyl)imidazolidine-1,5-dicarboxylate","","COC(=O)C1CN(C(=O)N1C(=O)OCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3","YESQOSYUOMMDPO-SFHVURJKSA-N","385477",NA,"PDBC09972","676711","Present"
-"1-O-Ethyl 4-O-methyl 2-[[4-methoxy-2-[[4-methoxy-2-[[4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]butanedioate","","","","","","","","","","","","","","","","","","","","1-O-Ethyl 4-O-methyl 2-[[4-methoxy-2-[[4-methoxy-2-[[4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]butanedioate","","CCOC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1","HZHRYDQJPCRUMA-UHFFFAOYSA-N","381620",NA,"PDBC09973","668440","Present"
-"1-O-Methyl 3,5,6-tetraphenylterephthalate","","","","","","","","","","","","","","","","","","","","1-O-Methyl 3,4,5,6-tetraphenylterephthalate","","COC(=O)C1=C(C(=C(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","CTGHULILLJRBBK-UHFFFAOYSA-N","24205352",NA,"PDBC09974","735261","Present"
-"1-O-Octadecyl-[(2.fwdarw.5')-3'-C-ethinyl-cytidylyl]-rac-glycerylyl-(3.fwdarw.5')-5-fluoro-2'-deoxyuridine","","","","","","","","","","","","","","","","","","","","NSC719661///1-O-Octadecyl-(2->5')-(3'-C-ethinylcytidylyl)-(3->5')-(5...","","CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O","CBSVWOFEDIRIAW-UHFFFAOYSA-N","6712908",NA,"PDBC09975","719661///722307","Present"
-"1-O-Pentylglycerol","","","","","","","","","","","","","","","","","","","","1-O-Pentylglycerol","","CCCCCOCC(CO)O","FQJXITFHANYMET-UHFFFAOYSA-N","90819",NA,"PDBC09976","625446","Present"
-"1-O-Tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","1-O-Tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate","","CC(C)(C)OC(=O)N1CC(CC1C(=O)OCC(Cl)(Cl)Cl)CC(=O)OCC2=CC=CC=C2","GSQDPRPGTHUAPW-HOTGVXAUSA-N","401677",NA,"PDBC09977","715407","Present"
-"1-O-Tert-butyl 2-O-ethyl 4-[[(3aR,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-hydroxymethyl]pyrrole-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","1-O-Tert-butyl 2-O-ethyl 4-[[(3aR,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-hydroxymethyl]pyrrole-1,2-dicarboxylate","","CCOC(=O)C1=CC(=CN1C(=O)OC(C)(C)C)C(O)P2(=O)N(C3CCCCC3N2CC(C)(C)C)CC(C)(C)C","WCEPVHTYJDFBKN-QQMHWKEJSA-N","397400",NA,"PDBC09978","705141","Present"
-"1-O-Tert-butyl 2-O-methyl (2S)-4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethyl]-5-oxopyrrolidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","NSC716063///NSC716066","","CC(C)(C)OC(=O)N1C(CC(C1=O)C(C[N+](=O)[O-])C2=CC=C(C=C2)O[Si](C)(C)C(C)(C)C)C(=O)OC","VYYXNFIMASURES-MHJFOBGBSA-N","402196",NA,"PDBC09979","716063///716066","Present"
-"1-O-Tert-butyl 2-O-methyl (2S)-4-[2-amino-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]ethyl]-5-oxopyrrolidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","1-O-Tert-butyl 2-O-methyl (2S)-4-[2-amino-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]ethyl]-5-oxopyrrolidine-1,2-dicarboxylate","","CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(CN)C3CC(N(C3=O)C(=O)OC(C)(C)C)C(=O)OC","XZGAGYCRFJTYQY-UHYCVJNDSA-N","403371",NA,"PDBC09980","718164","Present"
-"1-O-Tert-butyl 2-O-methyl (2S)-4-[3-methoxy-1-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxopropyl]-5-oxopyrrolidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","1-O-Tert-butyl 2-O-methyl (2S)-4-[3-methoxy-1-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxopropyl]-5-oxopyrrolidine-1,2-dicarboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(CC(=O)OC)C4CC(N(C4=O)C(=O)OC(C)(C)C)C(=O)OC","FDWNPZKMHNEJLM-OWWUNANSSA-N","403372",NA,"PDBC09981","718165","Present"
-"1-Octadecanaminium,N-bis(2-hydroxyethyl)-N-2-propynyl-, chloride","","","","","","","","","","","","","","","","","","","","1-Octadecanaminium, N,N-bis(2-hydroxyethyl)-N-2-propynyl...","","CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC#C.[Cl-]","VXPMVNRFNPKQHG-UHFFFAOYSA-M","24195153",NA,"PDBC09982","176710","Present"
-"1-Octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol","","","","","","","","","","","","","","","","","","","","1-O-Octadecanoyl-2-O-(9Z,12Z,15Z-octadecatrienoyl)-3-O-....","","CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC","UHPLILYACSUFNX-HLMRNWPHSA-N","5469581",NA,"PDBC09983","690291","Present"
-"1-Octadecyl-3-methylimidazolium chloride","","","","","","","","","","","","","","","","","","","","1-Methyl-3-octadecylimidazolium chloride","","CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]","LCXGSWXECDJESI-UHFFFAOYSA-M","2734233",NA,"PDBC09984","747269","Present"
-"1-Octene,3,7-trichloro-7-methyl-","","","","","","","","","","","","","","","","","","","","1-Octene, 3-(bromomethyl)-2,3,7-trichloro-7-methyl-","","CC(C)(CCCC(CBr)(C(=C)Cl)Cl)Cl","UFPKSFYXKOGZPA-UHFFFAOYSA-N","382926",NA,"PDBC09985","670803","Present"
-"1-Oxa-2-phosphaspiro[4.4]non-3-en-2-ol 2-oxide","","","","","","","","","","","","","","","","","","","","1-Oxa-2-phosphaspiro[4.4]non-3-en-2-ol 2-oxide","","C1CCC2(C1)C=CP(=O)(O2)O","CBMXGLLFJWYFHU-UHFFFAOYSA-N","380881",NA,"PDBC09986","666665","Present"
-"1-Oxaspiro[4.5]deca-6,9-diene-2,8-dione","","","","","","","","","","","","","","","","","","","","1-Oxaspiro[4,5]deca-6,9-diene-2,8-dione","","C1CC2(C=CC(=O)C=C2)OC1=O","CIZAZAUFIRYVPV-UHFFFAOYSA-N","371586",NA,"PDBC09987","701990","Present"
-"1-Oxido-1,2-dithiane-4,5-diyl bis(4-methylbenzenesulfonate)","","","","","","","","","","","","","","","","","","","","[1-Oxo-5-(p-tolylsulfonyloxy)dithian-4-yl] 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OC2CSS(=O)CC2OS(=O)(=O)C3=CC=C(C=C3)C","ZBQZGIZULLRIKY-UHFFFAOYSA-N","361194",NA,"PDBC09988","624157","Present"
-"1-Oxido-1-[2-(1-oxido-3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl]-3,4,5,6-tetrahydro-2H-pyridine","","","","","","","","","","","","","","","","","","","","Piperidine, 1,1'-(1,2-ethanediyl)bis-, 1,1'-dioxide (9CI)","","C1CC[N+](CC1)(CC[N+]2(CCCCC2)[O-])[O-]","VHFJBAOBJDUUAL-UHFFFAOYSA-N","172268",NA,"PDBC09989","604379","Present"
-"1-Oxido-2,2-diphenyl-3-phenyliminoindol-1-ium-5-one","","","","","","","","","","","","","","","","","","","","(3E)-2,2-Diphenyl-3-(phenylimino)-2,3-dihydro-5H-indol-5-one 1-oxide","","C1=CC=C(C=C1)C2(C(=NC3=CC=CC=C3)C4=CC(=O)C=CC4=[N+]2[O-])C5=CC=CC=C5","AYZXZPXOQBNTBL-UHFFFAOYSA-N","362810",NA,"PDBC09990","627124","Present"
-"1-Oxido-2-(p-tolyl)indol-1-ium-3-one","","","","","","","","","","","","","","","","","","","","1-oxido-2-(p-tolyl)indol-1-ium-3-one","","CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C2=O)[O-]","JNFIGKJFZMHBHN-UHFFFAOYSA-N","362362",NA,"PDBC09991","626108","Present"
-"1-Oxido-3,4-diphenyl-diazet-1-ium","","","","","","","","","","","","","","","","","","","","1-Oxido-3,4-diphenyl-diazet-1-ium","","C1=CC=C(C=C1)C2=C([N+](=N2)[O-])C3=CC=CC=C3","CCMAYFJOEZQAHF-UHFFFAOYSA-N","390085",NA,"PDBC09992","687028","Present"
-"1-Oxo-11-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,1-b][3]benzazepine-11a(11H)-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 11-methyl-1-oxo-3,5,6,11-tetrahydro-2H-pyrrolo[2,1-b][3]benzazepine-11a-carboxylate","","CCOC(=O)C12C(C3=CC=CC=C3CCN1CCC2=O)C","DEJPTANKAMUZOL-UHFFFAOYSA-N","397449",NA,"PDBC09993","705307","Present"
-"1-Oxo-2,8-diphenyl-2,5,8-triaza-1-phospha(V)bicyclo[3.3.0]octane","","","","","","","","","","","","","","","","","","","","1-Oxo-2,8-diphenyl-2,5,8-triaza-1-phospha(V)bicyclo[3.3.0]octane","","C1CN(P2(=O)N1CCN2C3=CC=CC=C3)C4=CC=CC=C4","TWSJYLKBYGTNRT-UHFFFAOYSA-N","382335",NA,"PDBC09994","669804","Present"
-"1-Oxo-2-(4-chlorophenyl)-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-chlorophenyl)-1-oxo-pyrimido[3,4-a]benzimidazole-4-carboxylate","","CCOC(=O)C1=CN(C(=O)N2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl","HZBQIKJOGZMPDN-UHFFFAOYSA-N","395849",NA,"PDBC09995","700852","Present"
-"1-Oxo-3-phenyl-2-(piperidin-1-ylmethyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Oxo-3-phenyl-2-(1-piperidylmethyl)-5h-pyrido[2,1-b]benzimidazole-4-carbonitrile","","C1CCN(CC1)CC2=C(C(=C3NC4=CC=CC=C4N3C2=O)C#N)C5=CC=CC=C5","SCKRKOIKKSEPRH-UHFFFAOYSA-N","395424",NA,"PDBC09996","699960","Present"
-"1-Oxo-3-phenylindene-2-carboxamide","","","","","","","","","","","","","","","","","","","","1-Oxo-3-phenyl-1h-indene-2-carboxamide","","C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C32)C(=O)N","NFMADGYJLRYPSL-UHFFFAOYSA-N","247352",NA,"PDBC09997","61795","Present"
-"1-Oxo-3a,7a-dihydro-1lambda4,2-benzodithiole-3-thione","","","","","","","","","","","","","","","","","","","","1-Oxo-3a,7a-dihydrobenzo[d]dithiole-3-thione","","C1=CC2C(C=C1)S(=O)SC2=S","WRTNFGRDPACJHT-UHFFFAOYSA-N","397762",NA,"PDBC09998","706184","Present"
-"1-Oxo-3a,7a-dihydrodithiolo[3,4-b]pyridine-3-thione","","","","","","","","","","","","","","","","","","","","1-Oxo-3a,7a-dihydrodithiolo[5,4-b]pyridine-3-thione","","C1=CC2C(N=C1)S(=O)SC2=S","XLDAYWQKBYTOEC-UHFFFAOYSA-N","397763",NA,"PDBC09999","706185","Present"
-"1-Oxophenalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-Oxophenalene-2-carboxylic acid","","C1=CC2=C3C(=C1)C=C(C(=O)C3=CC=C2)C(=O)O","KOTMDYNKSPHVPA-UHFFFAOYSA-N","362094",NA,"PDBC10000","625623","Present"
-"1-Pent-4-enylindole","","","","","","","","","","","","","","","","","","","","1-Pent-4-enylindole","","C=CCCCN1C=CC2=CC=CC=C21","MGVJHDIRKQFYRG-UHFFFAOYSA-N","362373",NA,"PDBC10001","626117","Present"
-"1-Pentanone, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-","","","","","","","","","","","","","","","","","","","","1-Pentanone, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-","","CC1=CC(=C(N1C)C)C(=O)CCCCOC2=CC=C(C=C2)C3=NCCO3","CPNRNRHXPSOFQA-UHFFFAOYSA-N","388878",NA,"PDBC10002","684106","Present"
-"1-Penten-3-one, 4-methyl-1-phenyl-","","","","","","","","","","","","","","","","","","","","NSC651783","","CC(C)C(=O)C=CC1=CC=CC=C1","CAXIQKXPSQYDIR-CMDGGOBGSA-N","5354448",NA,"PDBC10003","651783","Present"
-"1-Penten-3-one, 5-(4-morpholinyl)-1-phenyl-, hydrochloride","","","","","","","","","","","","","","","","","","","","1-Penten-3-one, 5-(4-morpholinyl)-1-phenyl-, hydrochloride","","C1COCCN1CCC(=O)C=CC2=CC=CC=C2.Cl","GWNLEXKNAOCIOV-UHDJGPCESA-N","5386805",NA,"PDBC10004","618059","Present"
-"1-Penten-3-one,1'-(1,4-phenylene)bis[5-(diethylamino)-4,4-dimethyl-, dihydrobromide","","","","","","","","","","","","","","","","","","","","1-Penten-3-one, 1,1'-(1,4-phenylene)bis[5-(diethylamino)...","","CCN(CC)CC(C)(C)C(=O)C=CC1=CC=C(C=C1)C=CC(=O)C(C)(C)CN(CC)CC.Br","SWXPHXAJGCVPTH-ZGWGUCJNSA-N","6514881",NA,"PDBC10005","602066","Present"
-"1-Phenanthrenecarboxylic acid, 10-bromo-1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-9-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","1-Phenanthrenecarboxylic acid, 10-bromo-1,2,3,4,4a,9,10,...","","CC12CCCC(C1C(C(=O)C3=C2C=C(C=C3)OC)Br)(C)C(=O)OC","VXNUYSOLTINORZ-UHFFFAOYSA-N","298002",NA,"PDBC10006","169600","Present"
-"1-Phenazinecarboxamide, monohydrochloride","","","","","","","","","","","","","","","","","","","","1-Phenazinecarboxamide, N-[2-(dimethylamino)ethyl]- 9-fl...","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)F.Cl","QVKNNMYMCVOCMI-UHFFFAOYSA-N","386521",NA,"PDBC10007","678925","Present"
-"1-Phenazinecarboxamide,9-dimethoxy-, monohydrochloride","","","","","","","","","","","","","","","","","","","","1-Phenazinecarboxamide, N-[2-(dimethylamino)ethyl]- 6,9-...","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=CC=C(C3=N2)OC)OC.Cl","GTXSOJXQRYXSCB-UHFFFAOYSA-N","386517",NA,"PDBC10008","678917","Present"
-"1-Phenazinecarboxylic acid, (phenylmethylene)hydrazide","","","","","","","","","","","","","","","","","","","","1-Phenazinecarboxylic acid, (phenylmethylene)hydrazide","","C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32","NCDQQKMTJHWNED-FYJGNVAPSA-N","9572501",NA,"PDBC10009","718156","Present"
-"1-Phenazinol,8-bis(bromomethyl)-, 5,10-dioxide","","","","","","","","","","","","","","","","","","","","1-Phenazinol, 7,8-bis(bromomethyl)-, 5,10-dioxide","","C1=CC2=C(C(=C1)O)[N+](=C3C=C(C(=CC3=[N+]2[O-])CBr)CBr)[O-]","DOHNLUBBIMJCCQ-UHFFFAOYSA-N","135435456",NA,"PDBC10010","614050","Present"
-"1-Phenazinol,8-bis[(4-morpholinyl)methyl]-, 5,10-dioxide, hydrochloride (2:3)","","","","","","","","","","","","","","","","","","","","1-Phenazinol, 7,8-bis[(4-morpholinyl)methyl]-, 5,10- dio...","","C1COCCN1CC2=CC3=[N+](C4=C(C(=CC=C4)O)[N+](=C3C=C2CN5CCOCC5)[O-])[O-].Cl","LUDPSIUQZOCIFC-UHFFFAOYSA-N","135455540",NA,"PDBC10011","614049","Present"
-"1-Phenethyltriazole-4,5-dicarbohydrazide","","","","","","","","","","","","","","","","","","","","1-Phenethyltriazole-4,5-dicarbohydrazide","","C1=CC=C(C=C1)CCN2C(=C(N=N2)C(=O)NN)C(=O)NN","ACILKGLZDJBEMO-UHFFFAOYSA-N","386607",NA,"PDBC10012","679060","Present"
-"1-Phenoxathiin-2-yl-2-piperidin-1-ylethanone;hydroiodide","","","","","","","","","","","","","","","","","","","","NSC691890","","C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3.I","LJYGZKNFZXAIDT-UHFFFAOYSA-N","392073",NA,"PDBC10013","691890","Present"
-"1-Phenoxy-3-(piperidin-1-yl)propan-2-ol","","","","","","","","","","","","","","","","","","","","TimTec1_003780","","C1CCN(CC1)CC(COC2=CC=CC=C2)O","QPMPQYGUAKDGAE-UHFFFAOYSA-N","259475",NA,"PDBC10014","89435","Present"
-"1-Phenoxyacetone thiosemicarbazone","","","","","","","","","","","","","","","","","","","","1-Phenoxyacetone thiosemicarbazone","","CC(=NNC(=S)N)COC1=CC=CC=C1","STZXVFVALYCLRE-XYOKQWHBSA-N","9569903",NA,"PDBC10015","623640","Present"
-"1-Phenyl-1,2,3,6-tetrahydropyridine","","","","","","","","","","","","","","","","","","","","1-Phenyl-1,2,3,6-tetrahydropyridine","","C1CN(CC=C1)C2=CC=CC=C2","WDJKAQCAPHSOIO-UHFFFAOYSA-N","357849",NA,"PDBC10016","617381","Present"
-"1-Phenyl-1,2-propanedione bis(4,4-dimethylthiosemicarbazone)","","","","","","","","","","","","","","","","","","","","NSC693330","","CC(=NNC(=S)N(C)C)C(=NNC(=S)N(C)C)C1=CC=CC=C1","DTNIZTHKKUBNNT-HSVQFRAPSA-N","6399373",NA,"PDBC10017","693330","Present"
-"1-Phenyl-1,2-propanedione bis(4,4-pentamethylenethiosemicarbazone)","","","","","","","","","","","","","","","","","","","","NSC693331","","CC(=NNC(=S)N1CCCCC1)C(=NNC(=S)N2CCCCC2)C3=CC=CC=C3","AGGKOEIEVKBFIK-ICSZDMAESA-N","6399374",NA,"PDBC10018","693331","Present"
-"1-Phenyl-1,2-propanedione bis(4-methylthiosemicarbazone)","","","","","","","","","","","","","","","","","","","","NSC693329","","CC(=NNC(=S)NC)C(=NNC(=S)NC)C1=CC=CC=C1","IIYWMJZKABJHJV-KKYJLSSQSA-N","6399372",NA,"PDBC10019","693329","Present"
-"1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one","","","","","","","","","","","","","","","","","","","","1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one","","C1CNCCC12CNC(=O)N2C3=CC=CC=C3","JHSFHXBUCVCLEB-UHFFFAOYSA-N","380011",NA,"PDBC10020","665307","Present"
-"1-Phenyl-1-(2-pyridinyl)-2-butanone","","","","","","","","","","","","","","","","","","","","1-Phenyl-1-(2-pyridinyl)-2-butanone","","CCC(=O)C(C1=CC=CC=C1)C2=CC=CC=N2","WIWLBLVULDGUQF-UHFFFAOYSA-N","238457",NA,"PDBC10021","42805","Present"
-"1-Phenyl-1-(trifluoromethyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Phenyl-1-(trifluoromethyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)(C4=CC=CC=C4)C(F)(F)F","AEDWGXDMNJOYFH-UHFFFAOYSA-N","383938",NA,"PDBC10022","672903","Present"
-"1-Phenyl-1-penten-3-one","","","","","","","","","","","","","","","","","","","","NSC148201","","CCC(=O)C=CC1=CC=CC=C1","LVGUHATVVHIJET-CMDGGOBGSA-N","5354490",NA,"PDBC10023","148201","Present"
-"1-Phenyl-2-(1-(2-methylimidazolyl))butanone-2,6-trichlor ophenylhydrazone . hydrate","","","","","","","","","","","","","","","","","","","","1-Phenyl-2-(1-(2-methylimidazolyl))butanone-2,4,6-trichl...","","CCC(C(=NNC1=C(C=C(C=C1Cl)Cl)Cl)C2=CC=CC=C2)N3C=CN=C3C","KVPXFJKDHHAEGO-PLRJNAJWSA-N","5482760",NA,"PDBC10024","628337","Present"
-"1-Phenyl-2-(3,4,5-tribromopyrazol-1-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-Phenyl-2-(3,4,5-tribromopyrazol-1-yl)ethanone","","C1=CC=C(C=C1)C(=O)CN2C(=C(C(=N2)Br)Br)Br","VFXYTEYIICXJJO-UHFFFAOYSA-N","387513",NA,"PDBC10025","681324","Present"
-"1-Phenyl-2-(3-phenylbenzo[f]quinolin-1-yl)-1,2-ethanedione","","","","","","","","","","","","","","","","","","","","1-Phenyl-2-(3-phenylbenzo[f]quinolin-1-yl)-1,2-ethanedione","","C1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C(=O)C(=O)C5=CC=CC=C5","XIRMQVYDGQOBQF-UHFFFAOYSA-N","379932",NA,"PDBC10026","665124","Present"
-"1-Phenyl-2-(4-phenyl-1,45-oxazinan-4-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-Phenyl-2-(4-phenyl-1,45-oxazinan-4-yl)ethanone","","C1COCC[N+]1(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3","YCVTUSIXNJAXKA-UHFFFAOYSA-N","411628",NA,"PDBC10027","35427","Present"
-"1-Phenyl-2-(7H-purin-6-ylsulfanyl)ethanone","","","","","","","","","","","","","","","","","","","","Ethanone, 1-phenyl-2-(1H-purin-6-ylthio)- (9CI)","","C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3","CMZUNZSPFKIPCD-UHFFFAOYSA-N","685688",NA,"PDBC10028","23082","Present"
-"1-Phenyl-2-[2,4,6-trimethyl-3,5-bis(2-oxo-2-phenyl-acetyl)phenyl]ethane-1,2-dione","","","","","","","","","","","","","","","","","","","","1-Phenyl-2-[2,4,6-trimethyl-3,5-bis(2-oxo-2-phenyl-acetyl)phenyl]ethane-1,2-dione","","CC1=C(C(=C(C(=C1C(=O)C(=O)C2=CC=CC=C2)C)C(=O)C(=O)C3=CC=CC=C3)C)C(=O)C(=O)C4=CC=CC=C4","RJQBHOXZQLJGNW-UHFFFAOYSA-N","377507",NA,"PDBC10029","658992","Present"
-"1-Phenyl-2-o-aminophenylethene","","","","","","","","","","","","","","","","","","","","1-Phenyl-2-o-aminophenylethene","","C1=CC=C(C=C1)C=CC2=CC=CC=C2N","BIEFDNUEROKZRA-KHPPLWFESA-N","5467947",NA,"PDBC10030","660426","Present"
-"1-Phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","1-Phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride","","CCCCCCCCCCC(C(C1=CC=CC=C1)O)N2CCCCC2.Cl","MGOUEMGWEXDWQY-UHFFFAOYSA-N","54602375",NA,"PDBC10031","35482","Present"
-"1-Phenyl-2-thioxoimidazolidine-4,5-dione","","","","","","","","","","","","","","","","","","","","Kinome_3132","","C1=CC=C(C=C1)N2C(=O)C(=O)NC2=S","URRIADZIXILTHY-UHFFFAOYSA-N","1550384",NA,"PDBC10032","671382","Present"
-"1-Phenyl-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-Phenyl-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline","","C1C2=CC=CC=C2N=C3N1C(SC3)C4=CC=CC=C4","UIJBIPJELNWLPG-UHFFFAOYSA-N","395898",NA,"PDBC10033","700993","Present"
-"1-Phenyl-3-(1H-pyrrol-2-yl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","",".alpha.-Benzoyl-.beta.(.alpha.-pyrryl)ethylene","","C1=CC=C(C=C1)C(=O)C=CC2=CC=CN2","IROAIBYOOAEFGE-CMDGGOBGSA-N","5929854",NA,"PDBC10034","643153","Present"
-"1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4=CC(=O)N(C4=O)C5=CC=CC=C5","DGGPBBHDUMVWOZ-UHFFFAOYSA-N","381771",NA,"PDBC10035","668843","Present"
-"1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrolidine-2,5-dione","","C1C(C(=O)N(C1=O)C2=CC=CC=C2)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5","QLIGVACFWXGFCQ-UHFFFAOYSA-N","363324",NA,"PDBC10036","628181","Present"
-"1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[3,4-b]quinoxaline","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[3,4-b]quinoxaline","","C1=CC=C(C=C1)C2=NN=C(O2)C3=NN(C4=NC5=CC=CC=C5N=C34)C6=CC=CC=C6","BYJHUDSOAJICCH-UHFFFAOYSA-N","365574",NA,"PDBC10037","633369","Present"
-"1-Phenyl-3-(trifluoromethyl)-1,2,4-benzotriazine-7(1H)-one","","","","","","","","","","","","","","","","","","","","1-phenyl-3-(trifluoromethyl)-1,2,4-benzotriazin-7(1H)-one","","C1=CC=C(C=C1)N2C3=CC(=O)C=CC3=NC(=N2)C(F)(F)F","AEDFKBPHAFWPTR-UHFFFAOYSA-N","127049337",NA,"PDBC10038","780813","Present"
-"1-Phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","CBMicro_036442","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=CC=CC=C4","BNNDFMXTUZWVAA-UHFFFAOYSA-N","1354577",NA,"PDBC10039","687862","Present"
-"1-Phenyl-3-[(3-phenylimidazolidin-1-yl)methyl]imidazolidine","","","","","","","","","","","","","","","","","","","","3-phenyl(imidazolidinil-1)methano","","C1CN(CN1CN2CCN(C2)C3=CC=CC=C3)C4=CC=CC=C4","ZKMPAPGCXXQZJL-UHFFFAOYSA-N","6482345",NA,"PDBC10040","732248","Present"
-"1-Phenyl-3-[2-(1-methyl-1H-indol-2-yl)-1-methyl-1H-indol-3-yl]-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-[2-(1-methyl-1H-indol-2-yl)-1-methyl-1H-indol-3-yl]-1H-pyrrole-2,5-dione","","CN1C2=CC=CC=C2C=C1C3=C(C4=CC=CC=C4N3C)C5=CC(=O)N(C5=O)C6=CC=CC=C6","KKAYPIDAIJGESD-UHFFFAOYSA-N","392072",NA,"PDBC10041","691884","Present"
-"1-Phenyl-3-[2-(triazol-1-yl)ethyl]urea","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-[2-(triazol-1-yl)ethyl]urea","","C1=CC=C(C=C1)NC(=O)NCCN2C=CN=N2","ZTOAAFQUOTXKBI-UHFFFAOYSA-N","386625",NA,"PDBC10042","679079","Present"
-"1-Phenyl-3-[2-[(2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepin)-1-yl]ethyl]urea","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-[2-(2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepin-1-yl)ethyl]urea","","CC1C=C(C2=CC=CC=C2N(C1C)CCNC(=O)NC3=CC=CC=C3)C","HNGRQKPBSRFERM-UHFFFAOYSA-N","379689",NA,"PDBC10043","664564","Present"
-"1-Phenyl-3-[4-(3-pyridin-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-[4-(3-pyridin-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)NC(=O)NC5=CC=CC=C5)C6=CC=CC=N6","FPCRUGZJSJVVFW-UHFFFAOYSA-N","24204656",NA,"PDBC10044","732408","Present"
-"1-Phenyl-3-[4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylthiourea","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-[4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylthiourea","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC5=CC=CC=C5)C6=CC=CS6","JYCMGFZEHOILAU-UHFFFAOYSA-N","24204641",NA,"PDBC10045","732393","Present"
-"1-Phenyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea","","C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=CS4)C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6","APAXIOIBXNLKJM-UHFFFAOYSA-N","24204665",NA,"PDBC10046","732417","Present"
-"1-Phenyl-3-[5-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydrooxazol-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-[5-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydrooxazol-2-yl]thiourea","","C1CN(CCN1CC2CN=C(O2)NC(=S)NC3=CC=CC=C3)C4=CC=CC=C4","PXKDGDIVNXNKHC-UHFFFAOYSA-N","3005315",NA,"PDBC10047","690606","Present"
-"1-Phenyl-3-[5-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydrooxazol-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-[5-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydrooxazol-2-yl]urea","","C1CN(CCN1CC2CN=C(O2)NC(=O)NC3=CC=CC=C3)C4=CC=CC=C4","YSORMAOUHNILBY-UHFFFAOYSA-N","394340",NA,"PDBC10048","697709","Present"
-"1-Phenyl-3-[[2-[2-[(phenylcarbamothioylamino)carbamoyl]anilino]benzoyl]amino]thiourea","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-[[2-[2-[(phenylcarbamothioylamino)carbamoyl]anilino]benzoyl]amino]thiourea","","C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NNC(=S)NC4=CC=CC=C4","VEWNGONVIQGYRF-UHFFFAOYSA-N","3005413",NA,"PDBC10049","698456","Present"
-"1-Phenyl-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one","","","","","","","","","","","","","","","","","","","","4-(4-hydroxybenzylidene)-3-methyl-1-phenyl-4,5-dihydro-1...","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C3=CC=CC=C3","QBFSAJXVYXGHKA-LFIBNONCSA-N","135436329",NA,"PDBC10050","719572","Present"
-"1-Phenyl-3-pyridin-2-yl-1,2,4-benzotriazin-7-one","","","","","","","","","","","","","","","","","","","","1-phenyl-3-pyridin-2-yl-1,2,4-benzotriazin-7(1H)-one","","C1=CC=C(C=C1)N2C3=CC(=O)C=CC3=NC(=N2)C4=CC=CC=N4","PZLFUJORFSGTRE-UHFFFAOYSA-N","155813562",NA,"PDBC10051","780815","Present"
-"1-Phenyl-3-pyridin-4-ylpropane-1,3-dione","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-(4-pyridinyl)-1,3-propanedione","","C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=NC=C2","ALJURYJXCXVZFN-UHFFFAOYSA-N","238347",NA,"PDBC10052","42679","Present"
-"1-Phenyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-Phenyl-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4","FNMNLCSQXMVRNM-UHFFFAOYSA-N","372671",NA,"PDBC10053","648204","Present"
-"1-Phenyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","1-Phenyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile","","C1CCN(C1)C2=C(C(=S)N(C=N2)C3=CC=CC=C3)C#N","KYKBZEUSGDMZBA-UHFFFAOYSA-N","385035",NA,"PDBC10054","675888","Present"
-"1-Phenyl-4-(2,2,2-trichloro-1-(4-phenyl-1-piperazinyl)ethyl)piperazine","","","","","","","","","","","","","","","","","","","","1-Phenyl-4-(2,2,2-trichloro-1-(4-phenyl-1-piperazinyl)ethyl)piperazine","","C1CN(CCN1C2=CC=CC=C2)C(C(Cl)(Cl)Cl)N3CCN(CC3)C4=CC=CC=C4","GVFBWTMJHYKXPR-UHFFFAOYSA-N","261331",NA,"PDBC10055","93317","Present"
-"1-Phenyl-4-(2-pyridinyl)-1-butanone","","","","","","","","","","","","","","","","","","","","1-Phenyl-4-(2-pyridinyl)-1-butanone","","C1=CC=C(C=C1)C(=O)CCCC2=CC=CC=N2","CRUVDMPFOYFNCE-UHFFFAOYSA-N","244895",NA,"PDBC10056","56227","Present"
-"1-Phenyl-4-[2-[2-(4-chlorobenzyl)-1H-benzimidazol-5-yl]ethyl]piperazine","","","","","","","","","","","","","","","","","","","","2-[(4-Chlorophenyl)methyl]-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole","","C1CN(CCN1CCC2=CC3=C(C=C2)N=C(N3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5","VPUAQCQMOIAGBY-UHFFFAOYSA-N","398950",NA,"PDBC10057","709318","Present"
-"1-Phenyl-4-cyano-5-hydroxy-1,2,3-triazole","","","","","","","","","","","","","","","","","","","","NWVVQSYREALGJH-UHFFFAOYSA-N","","C1=CC=C(C=C1)N2C(=O)C(=NN2)C#N","MTCKUHKELYJWOG-UHFFFAOYSA-N","388862",NA,"PDBC10058","684056","Present"
-"1-Phenyl-4-methyl-8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","1-Phenyl-4-methyl-8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline","","CC1=C2CCN(C2=C3C=C(C=CC3=N1)Cl)C4=CC=CC=C4","MGEIQNHPDIPDNE-UHFFFAOYSA-N","387226",NA,"PDBC10059","680788","Present"
-"1-Phenyl-4-methyl-8-fluoro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","1-Phenyl-4-methyl-8-fluoro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline","","CC1=C2CCN(C2=C3C=C(C=CC3=N1)F)C4=CC=CC=C4","ODRCSUDERKXLTQ-UHFFFAOYSA-N","387225",NA,"PDBC10060","680787","Present"
-"1-Phenyl-4-propoxy-6-propylsulfanylpyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","1-Phenyl-4-propoxy-6-(propylsulfanyl)-1h-pyrazolo[3,4-d]pyrimidine","","CCCOC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SCCC","HJYNXQLPHAIUGN-UHFFFAOYSA-N","223750",NA,"PDBC10061","11663","Present"
-"1-Phenyl-5,6-bis(phenylsulfonyl)-4-hexen-1-one","","","","","","","","","","","","","","","","","","","","NSC649446","","C1=CC=C(C=C1)C(=O)CCC=C(CS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","WGCZBHDSSBFPMJ-QJOMJCCJSA-N","5467262",NA,"PDBC10062","649446","Present"
-"1-Phenyl-5-(4-(trifluoromethyl)phenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","1-phenyl-5-(4-(trifluoromethyl)phenyl)-1H-imidazole","","C1=CC=C(C=C1)N2C=NC=C2C3=CC=C(C=C3)C(F)(F)F","YKXFNILFIUDROS-UHFFFAOYSA-N","11162021",NA,"PDBC10063","734604","Present"
-"1-Phenyl-5-[5-(3-trifluoromethylphenyl)-1H-pyrazol-4-yl]-1H-tetrazole","","","","","","","","","","","","","","","","","","","","1-Phenyl-5-[5-(3-trifluoromethylphenyl)-1H-pyrazol-4-yl]...","","C1=CC=C(C=C1)N2C(=NN=N2)C3=C(NN=C3)C4=CC(=CC=C4)C(F)(F)F","TUTIMSOIADPHJN-UHFFFAOYSA-N","135659246",NA,"PDBC10064","742219","Present"
-"1-Phenyl-8-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one","","","","","","","","","","","","","","","","","","","","1-Phenyl-8-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one","","C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCC4=CC5=C(C=C4)NC(=S)N5","KRDLZDUIJZBOCM-UHFFFAOYSA-N","5470860",NA,"PDBC10065","705935","Present"
-"1-Phenyl-9,10-dihydro-3H,8H-pyrido[3,2,1-ij]quinazolin-3-one","","","","","","","","","","","","","","","","","","","","1-Phenyl-9,10-dihydro-3H,8H-pyrido[3,2,1-ij]quinazolin-3-one","","C1CC2=CC=CN3C2=C(C1)C(=NC3=O)C4=CC=CC=C4","PLRKPSZTVDJKHD-UHFFFAOYSA-N","363995",NA,"PDBC10066","629617","Present"
-"1-Phenyl-cyclohexanecarboxylic acid ethyl-(2-hydroxy-ethyl)-amide","","","","","","","","","","","","","","","","","","","","1-Phenyl-cyclohexanecarboxylic acid ethyl-(2-hydroxy-ethyl)-amide","","CCN(CCO)C(=O)C1(CCCCC1)C2=CC=CC=C2","JVGCULBLPKADKR-UHFFFAOYSA-N","379215",NA,"PDBC10067","663630","Present"
-"1-Phenylbutane-1,3-dione;thallium(3+)","","","","","","","","","","","","","","","","","","","","NSC644933","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Tl+3]","RELYRZJQIUTGAJ-UHFFFAOYSA-N","11979346",NA,"PDBC10068","644933","Present"
-"1-Phenylbutane-1,3-dione;titanium(4+);(8R,10R,13S,17S)-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-olate;hydrochloride","","","","","","","","","","","","","","","","","","","",".cis.-Bis(17.alpha.-methyl-4-androstene-3-on-17.beta.-ol...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)[O-])C.CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)[O-])C.Cl.[Ti+4]","JFTXWSIBWGIGGC-ZSBKUVGBSA-N","11969940",NA,"PDBC10069","641078","Present"
-"1-Phenylbutane-1,3-dione;titanium(4+);1,7,7-trimethylbicyclo[2.2.1]heptan-2-olate","","","","","","","","","","","","","","","","","","","","Bis[(1S-1,7,7-trimethyl-bicyclo[2.2.1]heptane-2-olato]- ...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC1(C2CCC1(C(C2)[O-])C)C.CC1(C2CCC1(C(C2)[O-])C)C.[Ti+4]","PCJBTRMEWXORGK-UHFFFAOYSA-N","368531",NA,"PDBC10070","639604","Present"
-"1-Phenylethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate","","","","","","","","","","","","","","","","","","","","1-Phenylethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate","","CC(C1=CC=CC=C1)OC(=O)NCN2C=C(N=N2)C3=CC=CC=C3","GGQNLONNVHMOBA-UHFFFAOYSA-N","386634",NA,"PDBC10071","679088","Present"
-"1-Phenylhexadecan-1-amine--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","NSC23000","","CCCCCCCCCCCCCCCC(C1=CC=CC=C1)N.Cl","KKFFILWRISXIAS-UHFFFAOYSA-N","53422562",NA,"PDBC10072","23000","Present"
-"1-Phenylphosphinane 1-oxide","","","","","","","","","","","","","","","","","","","","1-Phenylphosphinane 1-oxide","","C1CCP(=O)(CC1)C2=CC=CC=C2","IDMWCMSMIDBTLE-UHFFFAOYSA-N","357423",NA,"PDBC10073","616253","Present"
-"1-Phenyltetrahydropyridazin-3(2H)-one","","","","","","","","","","","","","","","","","","","","Pyridazin-3(2H)-one, tetrahydro-1-phenyl","","C1CC(=O)NN(C1)C2=CC=CC=C2","XHYBFCBDMIPDON-UHFFFAOYSA-N","367858",NA,"PDBC10074","638023","Present"
-"1-Piperazinecarboselenoic acid, [1-(2-pyridinyl)ethylidene]hydrazide","","","","","","","","","","","","","","","","","","","","1-Piperazinecarboselenoic acid, 4-(2-pyridinyl)-, [1-(2-...","","CC(=NN=C(N1CCN(CC1)C2=CC=CC=N2)[Se])C3=CC=CC=N3","XHOWLJGNFHYYAE-PQBPFAQHSA-N","54598628",NA,"PDBC10075","328784","Present"
-"1-Piperazinecarbothioicacid, 4-(2-pyridinyl)-, (1-(6-methyl-2-pyridinyl)ethylidene)hydrazide","","","","","","","","","","","","","","","","","","","","1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(6-me...","","CC1=NC(=CC=C1)C(=NNC(=S)N2CCN(CC2)C3=CC=CC=N3)C","JIBKQOYQTHHUSH-RCCKNPSSSA-N","9554702",NA,"PDBC10076","335787","Present"
-"1-Piperazinecarboxylic acid, 4-[[[2-[(methoxycarbonyl)amino]-1H-benzimidazol-5-yl]amino]phenoxyphosphinyl]-, ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]amino]-phenoxyphosphoryl]piperazine-1-carboxylate","","CCOC(=O)N1CCN(CC1)P(=O)(NC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)OC4=CC=CC=C4","UJLSCGKUDJOFCY-UHFFFAOYSA-N","367664",NA,"PDBC10077","637580","Present"
-"1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4-methoxyphenoxy)methyl]-","","","","","","","","","","","","","","","","","","","","1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4- metho...","","COC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O","HNNUHKGIGFXJNI-UHFFFAOYSA-N","259580",NA,"PDBC10078","89602","Present"
-"1-Piperazinepropanesulfonic acid, platinum complex","","","","","","","","","","","","","","","","","","","","Platinum, (1,2-cyclohexanediamine-N,N') bis[4-(2-hydroxy...","","C1CCC(C(C1)N)N.C1CN(CCN1CCCS(=O)(=O)[O-])CCO.C1CN(CCN1CCCS(=O)(=O)[O-])CCO.[Pt+4]","NXILDJGBNZIRLE-UHFFFAOYSA-L","24201990",NA,"PDBC10079","615590","Present"
-"1-Piperazinepropionamide, dimaleate","","","","","","","","","","","","","","","","","","","","Clothixamide Maleate","","CNC(=O)CCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O","LNIQTKMWLVBWMX-LRAAMCGYSA-N","44144400",NA,"PDBC10080","78714","Present"
-"1-Piperazinethiocarboxylic acid, 4-(2-propynyl)-2-[1-(2-pyridinyl)ethylidene]hydrazide","","","","","","","","","","","","","","","","","","","","1-Piperazinethiocarboxylic acid, 4-(2-propynyl)- 2-[1-(2...","","CC(=NNC(=S)N1CCN(CC1)CC#C)C2=CC=CC=N2","OGHLKBYOYCGJPR-GHRIWEEISA-N","5374787",NA,"PDBC10081","376266","Present"
-"1-Piperidinecarbodithioic acid, 2-oxo-2-((4,5,6,7-tetrahydro-2-benzothiazolyl)amino)ethyl ester","","","","","","","","","","","","","","","","","","","","1-Piperidinecarbodithioic acid, 2-oxo-2-((4,5,6,7-tetrahydro-2-benzothiazolyl)amino)ethyl ester","","C1CCN(CC1)C(=S)SCC(=O)NC2=NC3=C(S2)CCCC3","HZICTKBQMOJVKO-UHFFFAOYSA-N","373880",NA,"PDBC10082","650843","Present"
-"1-Piperidinecarbodithioic acid, Cu(II) complex [2:1]","","","","","","","","","","","","","","","","","","","","1-Piperidinecarbodithioic acid, Cu(II) complex [2:1]","","","","",NA,"PDBC10083","619320","Present"
-"1-Piperidinecarbodithioic acid,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl ester","","","","","","","","","","","","","","","","","","","","1-Piperidinecarbodithioic acid, 2-[[5-(4-chlorophenyl)-1...","","C1CCN(CC1)C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Cl","ZVCIZVZFAQBPTO-UHFFFAOYSA-N","399291",NA,"PDBC10084","709980","Present"
-"1-Piperidinecarbothioic acid, 2-ethyl-, (1-(2-pyridinyl)ethylidene)hydrazide","","","","","","","","","","","","","","","","","","","","1-Piperidinecarbothioic acid, 2-ethyl-, [1-(2-pyridinyl)...","","CCC1CCCCN1C(=S)NN=C(C)C2=CC=CC=N2","MZACWVULBYILQW-SFQUDFHCSA-N","9602153",NA,"PDBC10085","326061","Present"
-"1-Piperidineethanol, alpha-[p-(p-chlorostyryl)phenyl]-","","","","","","","","","","","","","","","","","","","","1-Piperidineethanol, .alpha.-[p-(p-chlorostyryl)phenyl]-","","C1CCN(CC1)CC(C2=CC=C(C=C2)C=CC3=CC=C(C=C3)Cl)O","QJUBRQLMPOZVNB-SNAWJCMRSA-N","5351150",NA,"PDBC10086","26040","Present"
-"1-Piperidinesulfonamide, N-(7-amino-2-naphthalenyl)-","","","","","","","","","","","","","","","","","","","","1-Piperidinesulfonamide, N-(7-amino-2-naphthalenyl)-","","C1CCN(CC1)S(=O)(=O)NC2=CC3=C(C=CC(=C3)N)C=C2","XRKVXXQHCZHMRY-UHFFFAOYSA-N","333624",NA,"PDBC10087","336053","Present"
-"1-Prop-2-enyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one","","","","","","","","","","","","","","","","","","","","1-Prop-2-enyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one","","C=CCC1=C2CCCCC2CCC1=O","APSFXQPNAJDFOC-UHFFFAOYSA-N","359293",NA,"PDBC10088","620037","Present"
-"1-Propanamine, 3-fluoro-N-(2-fluoro-2,2-dinitroethyl)-3,3-dinitro-","","","","","","","","","","","","","","","","","","","","1-Propanamine, 3-fluoro-N-(2-fluoro-2,2-dinitroethyl)-3,3-dinitro-","","C(CNCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F","LYCRWTLFFAUEDK-UHFFFAOYSA-N","388363",NA,"PDBC10089","683258","Present"
-"1-Propanesulfonic acid","","","","","","","","","","","","","","","","","","","","1-Propanesulfonic acid (8CI9CI)","","CCCS(=O)(=O)O","KCXFHTAICRTXLI-UHFFFAOYSA-N","78938",NA,"PDBC10090","87882","Present"
-"1-Propanone, 1-(3,4-dichlorophenyl)-3-(diethylamino)-, hydrochloride","","","","","","","","","","","","","","","","","","","","1-Propanone, 1-(3,4-dichlorophenyl)-3-(diethylamino)-, hydrochloride","","CCN(CC)CCC(=O)C1=CC(=C(C=C1)Cl)Cl.Cl","QIMWEGRZUORXTJ-UHFFFAOYSA-N","376386",NA,"PDBC10091","657299","Present"
-"1-Propanone, 1-[9-(acetyloxy)-6,7,10,11-tetrahydro-5,12-dimethyl-6,10-imino-5H-cyclooct[b]indol-8-yl]-","","","","","","","","","","","","","","","","","","","","(3,16-Dimethyl-14-propanoyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8,13-pentaen-13-yl) acetate","","CCC(=O)C1=C(C2CC3=C(C(C1)N2C)N(C4=CC=CC=C34)C)OC(=O)C","CHQJLOOUPOTVOL-UHFFFAOYSA-N","363934",NA,"PDBC10092","629422","Present"
-"1-Propanone, 3-(diethylamino)-1-(4-methylphenyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","1-Propanone, 3-(diethylamino)-1-(4-methylphenyl)-, hydrochloride","","CCN(CC)CCC(=O)C1=CC=C(C=C1)C.Cl","HSDTYCZCZBOCTG-UHFFFAOYSA-N","376382",NA,"PDBC10093","657297","Present"
-"1-Propanone, O-[[(4-fluoro-3-nitrophenyl)amino]carbonyl]oxime","","","","","","","","","","","","","","","","","","","","1-Propanone, 1-chloro-2-methyl-, O-[[(4-fluoro- 3-nitrop...","","CC(C)C(=NOC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])Cl","KZPBNWWJDKUBNU-XNTDXEJSSA-N","5494379",NA,"PDBC10094","693885","Present"
-"1-Propanone,4,5,6-tetrahydro-2-pyrimidinyl)thio]-, monohydrochloride","","","","","","","","","","","","","","","","","","","","1-Propanone, 1-(4-fluorophenyl)-3-[(1,4,5,6-tetrahydro-2...","","C1CNC(=NC1)SCCC(=O)C2=CC=C(C=C2)F.Cl","BKJIVSARVARZOC-UHFFFAOYSA-N","24196628",NA,"PDBC10095","230683","Present"
-"1-Propene-1,3-tricarboxylic acid, tris(1-methylheptyl) ester","","","","","","","","","","","","","","","","","","","","1-PROPENE-1,2,3-TRICARBOXYLIC ACID, TRIS(1-METHYLHEPTYL)...","","CCCCCCC(C)OC(=O)CC(=CC(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC","RXTMUOCSWOCZNI-HPNDGRJYSA-N","5354177",NA,"PDBC10096","2426","Present"
-"1-Propyl-2-thioxo-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tetrahydro-4(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","1-Propyl-2-thioxo-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tetrahydro-4(1H)-pyrimidinone","","CCCN1CCC(=O)N(C1=S)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","NLRBETSQRXNRRY-UHFFFAOYSA-N","376168",NA,"PDBC10097","656702","Present"
-"1-Propynyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","propynyl tosylate","","CC#COS(=O)(=O)C1=CC=C(C=C1)C","FXXOTIUPVOHDQK-UHFFFAOYSA-N","371537",NA,"PDBC10098","645865","Present"
-"1-Pyrazol-1-yl-N,N-bis(pyrazol-1-ylmethyl)methanamine","","","","","","","","","","","","","","","","","","","","TPMA","","C1=CN(N=C1)CN(CN2C=CC=N2)CN3C=CC=N3","HYOJQGHREHOFOB-UHFFFAOYSA-N","361765",NA,"PDBC10099","625031","Present"
-"1-Pyridin-3-yl-N,N'-di(quinolin-8-yl)methanediamine","","","","","","","","","","","","","","","","","","","","1-Pyridin-3-yl-N,N'-di(quinolin-8-yl)methanediamine","","C1=CC2=C(C(=C1)NC(C3=CN=CC=C3)NC4=CC=CC5=C4N=CC=C5)N=CC=C2","NDIPQSFKKQBZPM-UHFFFAOYSA-N","360171",NA,"PDBC10100","622143","Present"
-"1-S-Dimethylarsino-1-thio-<U+00E2>","","","","","","","","","","","","","","","","","","","","-d-xylose","","C[As](C)SC1C(C(C(CO1)O)O)O","KWUPACLXXTYLJP-UHFFFAOYSA-N","24203222",NA,"PDBC10101","727221","Present"
-"1-S-Dimethylarsino-1-thio-D-ribose","","","","","","","","","","","","","","","","","","","","1-S-dimethylarsino-1-thio-D-ribose","","C[As](C)SC1C(C(C(O1)CO)O)O","CBTJUISHFWCGCG-UHFFFAOYSA-N","24203223",NA,"PDBC10102","727222","Present"
-"1-Tert-Butyl 4-(2-(hydroxy(oxido)amino)vinyl) 2-butenedioate","","","","","","","","","","","","","","","","","","","","O4-tert-butyl O1-[(E)-2-nitrovinyl] (E)-but-2-enedioate","","CC(C)(C)OC(=O)C=CC(=O)OC=C[N+](=O)[O-]","ADMRPDUHPLIROV-YTXTXJHMSA-N","5470341",NA,"PDBC10103","699788","Present"
-"1-Tert-Butyl 4-methyl 1,4-cubanedicarboxylate","","","","","","","","","","","","","","","","","","","","1-Tert-Butyl 4-methyl 1,4-cubanedicarboxylate","","CC(C)(C)OC(=O)C12C3C4C1C5C2C3C45C(=O)OC","SSXKLFUEFYGJES-UHFFFAOYSA-N","369215",NA,"PDBC10104","640921","Present"
-"1-Tert-Butyl-2-(1-isocyanato-1-methylethyl)diazene","","","","","","","","","","","","","","","","","","","","2-t-Butylazo-2-isocyanatopropane","","CC(C)(C)N=NC(C)(C)N=C=O","BJABUROLFMMCQB-UHFFFAOYSA-N","373155",NA,"PDBC10105","649096","Present"
-"1-Tert-Butyl-2-(10-chloro-9-anthryl)-4-methyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-Tert-butyl-2-(10-chloroanthracen-9-yl)-4-methyl-1,2,4-triazolidine-3,5-dione","","CC(C)(C)N1C(=O)N(C(=O)N1C2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl)C","INBBOFPYFCXYBM-UHFFFAOYSA-N","391913",NA,"PDBC10106","691594","Present"
-"1-Tert-Butyl-2-(2-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-Tert-Butyl-2-(2-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione","","CC(C)(C)N1C(=O)N(C(=O)N1C2=CC=CC=C2OC)C","YDKLLNOIEBMMEB-UHFFFAOYSA-N","391919",NA,"PDBC10107","691599","Present"
-"1-Tert-Butyl-4-isopropyl-2-phenyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-Tert-Butyl-4-isopropyl-2-phenyl-1,2,4-triazolidine-3,5-dione","","CC(C)N1C(=O)N(N(C1=O)C(C)(C)C)C2=CC=CC=C2","SRDMSMDMQUROHM-UHFFFAOYSA-N","390094",NA,"PDBC10108","687037","Present"
-"1-Tert-Butyl-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-Tert-Butyl-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione","","CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2C(C)(C)C)C)C)C","MOYFACQLAPYOMZ-UHFFFAOYSA-N","391911",NA,"PDBC10109","691592","Present"
-"1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Boc-Pro-OMe","","CC(C)(C)OC(=O)N1CCCC1C(=O)OC","WVDGSSCWFMSRHN-UHFFFAOYSA-N","394147",NA,"PDBC10110","697381","Present"
-"1-Tert-butyl-2-cyanoguanidine","","","","","","","","","","","","","","","","","","","","1-Tert-butyl-2-cyanoguanidine","","CC(C)(C)N=C(N)NC#N","NGKJPYUHFKVHOJ-UHFFFAOYSA-N","382485",NA,"PDBC10111","670091","Present"
-"1-Tert-butyl-3-(1-tert-butyldiaziridin-3-yl)diaziridine","","","","","","","","","","","","","","","","","","","","STK674936","","CC(C)(C)N1C(N1)C2NN2C(C)(C)C","PCVCMPOFRFEMRA-UHFFFAOYSA-N","392981",NA,"PDBC10112","694223","Present"
-"1-Tert-butyl-3-(3-fluoro-1-adamantyl)urea","","","","","","","","","","","","","","","","","","","","1-Tert-butyl-3-(3-fluoro-1-adamantyl)urea","","CC(C)(C)NC(=O)NC12CC3CC(C1)CC(C3)(C2)F","YFOLUJOWQNCARG-UHFFFAOYSA-N","371830",NA,"PDBC10113","646346","Present"
-"1-Tert-butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-Tert-butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","CC1=NC(=CC=C1)C=NNC(=S)NC(C)(C)C","WOZWUGLWBHDQPN-MDWZMJQESA-N","9571909",NA,"PDBC10114","670787","Present"
-"1-Tert-butyl-3-[(E)-2-pyridylmethyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-Tert-butyl-3-[(E)-2-pyridylmethyleneamino]thiourea","","CC(C)(C)NC(=S)NN=CC1=CC=CC=N1","ULLQNBIDEXPKQN-MDWZMJQESA-N","9571908",NA,"PDBC10115","670786","Present"
-"1-Tert-butylazetidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","1-Tert-butylazetidine-2-carboxamide","","CC(C)(C)N1CCC1C(=O)N","IKWQUKXRSSVXMT-UHFFFAOYSA-N","282398",NA,"PDBC10116","135862","Present"
-"1-Tetracyclo[3.3.2.02,4.06,8]decanylmethyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","1-Tetracyclo[3.3.2.02,4.06,8]decanylmethyl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(C4C2C4)C5C3C5","STGKWPIGBBQXRZ-UHFFFAOYSA-N","372431",NA,"PDBC10117","647545","Present"
-"1-Tetradecylpyridin-1-ium-3-carboxamide;bromide","","","","","","","","","","","","","","","","","","","","1-Tetradecylpyridin-1-ium-3-carboxamide;bromide","","CCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N.[Br-]","PDKQYPVFZJXIBB-UHFFFAOYSA-N","24182122",NA,"PDBC10118","13835","Present"
-"1-Tetradecylpyridin-1-ium-4-carboxamide;bromide","","","","","","","","","","","","","","","","","","","","1-Tetradecylpyridin-1-ium-4-carboxamide;bromide","","CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)N.[Br-]","LJSRDWAEJDLUSN-UHFFFAOYSA-N","24193325",NA,"PDBC10119","151060","Present"
-"1-Thioformyl-4-p-toluenesulfonylpiperazine","","","","","","","","","","","","","","","","","","","","1-Thioformyl-4-p-toluenesulfonylpiperazine","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C=S","NYCHGBMMMPEZIW-UHFFFAOYSA-N","367806",NA,"PDBC10120","637831","Present"
-"1-Tosyl-2,3-diphenyl-1H-indole","","","","","","","","","","","","","","","","","","","","1-Tosyl-2,3-diphenyl-1H-indole","","CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C4=CC=CC=C4)C5=CC=CC=C5","REJLZBHFAFIOFB-UHFFFAOYSA-N","372863",NA,"PDBC10121","648553","Present"
-"1-Tosyl-3-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)pyrrolidine","","","","","","","","","","","","","","","","","","","","1-Tosyl-3-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)pyrrolidine","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)(CC(C)C)C3=CC(=C(C=C3)OC)OC","VVDPTPKPSDGQJK-UHFFFAOYSA-N","394152",NA,"PDBC10122","697386","Present"
-"1-Tosyl-3-(3,4-dimethoxyphenyl)-3-ethylpyrrolidine","","","","","","","","","","","","","","","","","","","","1-Tosyl-3-(3,4-dimethoxyphenyl)-3-ethylpyrrolidine","","CCC1(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC(=C(C=C3)OC)OC","XVILPSRWJHSAHH-UHFFFAOYSA-N","394151",NA,"PDBC10123","697385","Present"
-"1-Tosyl-3-[4-(trifluoromethyl)-2-pyridinyl]-5-bromo-1H-indole","","","","","","","","","","","","","","","","","","","","1-Tosyl-3-[4-(trifluoromethyl)-2-pyridinyl]-5-bromo-1H-indole","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C4=NC=CC(=C4)C(F)(F)F","VQUKOOSIUVXOHM-UHFFFAOYSA-N","403581",NA,"PDBC10124","718634","Present"
-"1-Tricyclo[3.2.1.02,4]octanylmethyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","1-Tricyclo[3.2.1.02,4]octanylmethyl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(C2)C4C3C4","XGWQFTMPQGPTQI-UHFFFAOYSA-N","372433",NA,"PDBC10125","647547","Present"
-"1-Tricyclo[3.2.2.02,4]nonanylmethyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","1-Tricyclo[3.2.2.02,4]nonanylmethyl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)C4C3C4","OWMLFOIVYPQKRR-UHFFFAOYSA-N","372434",NA,"PDBC10126","647548","Present"
-"1-Trityl-1H-imidazole-4-methanol","","","","","","","","","","","","","","","","","","","","J-500499","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CO","DVQYFYUODSFBFS-UHFFFAOYSA-N","382182",NA,"PDBC10127","669641","Present"
-"1-Vinyl-3alpha-phenoxy-4alpha-phenylazetidin-2-one","","","","","","","","","","","","","","","","","","","","NSC643195","","C=CN1C(C(C1=O)OC2=CC=CC=C2)C3=CC=CC=C3","MOPAPKQYPNDGNF-JKSUJKDBSA-N","370336",NA,"PDBC10128","643195","Present"
-"1-[(1'S,4'R)-4-(Benzenesulfonylmethyl)-7',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","1-[(1'S,4'R)-4-(Benzenesulfonylmethyl)-7',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide","","CC(C)N(C(C)C)S(=O)(=O)CC12CCC(C1(C)C)CC23OCC(O3)CS(=O)(=O)C4=CC=CC=C4","JYCVSRTZSSTKLF-NSPZDWCRSA-N","399377",NA,"PDBC10129","710097","Present"
-"1-[(1,3-Dioxoindan-2-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(1,3-Dioxoindan-2-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea","","C1=CC=C2C(=C1)C(=C(C2=O)C=NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)O","TZPWAVARCDAOPF-DJKKODMXSA-N","135409114",NA,"PDBC10130","658348","Present"
-"1-[(11R,15S)-8-Hydroxy-14,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-9-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(11R,15S)-8-Hydroxy-14,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-9-yl]ethanone","","CC(=O)C1=C(C2=CC=CC=C2C3=C1C4CCOC4O3)O","SIHVIONEGYDVAJ-BZNIZROVSA-N","405258",NA,"PDBC10131","722393","Present"
-"1-[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]piperidine","","","","","","","","","","","","","","","","","","","","1-[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]piperidine","","C1CCN(CC1)C(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","VOZWCKGHLLJQCB-CLFYSBASSA-N","3004947",NA,"PDBC10132","665087","Present"
-"1-[(1E)-3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]piperidine","","","","","","","","","","","","","","","","","","","","1-[(1E)-3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]piperidine","","C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C=NC=N2","ZPOMVBJHHLCVBP-PKNBQFBNSA-N","5470206",NA,"PDBC10133","698388","Present"
-"1-[(1R,2R,9R,10S,11S,14R,15R,21R)-1,2,15,20,20-Pentamethyl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-5-en-9-yl]ethanone","","","","","","","","","","","","","","","","","","","","3-deoxy-3-homo-3-aza-20-oxo-lup-17(22)-en","","CC(=O)C1CCC=C2C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C","QDIQXYHVGBVLJQ-GAGWWGQUSA-N","155817317",NA,"PDBC10134","801866","Present"
-"1-[(1R,4S)-3-Amino-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(1R,4S)-3-Amino-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione","","C1C(CC(C1CO)N)N2C=C(C(=O)NC2=O)C=CBr","MZFCLRQZFOMKPM-CXXRZQJKSA-N","5466680",NA,"PDBC10135","641033","Present"
-"1-[(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-2-hydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-2-hydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-yl]ethanone","","CC(=O)C1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C7=C(C5)C8=CC=CC=C8N7)O)C=C1","ADUYWCQHBUMOPT-CSZVXOJQSA-N","5471404",NA,"PDBC10136","711026","Present"
-"1-[(1Z,3E)-4-(Benzotriazol-1-yl)-1,4-dichloro-3-nitro-buta-1,3-dienyl]benzotriazole","","","","","","","","","","","","","","","","","","","","1-[(1Z,3E)-4-(Benzotriazol-1-yl)-1,4-dichloro-3-nitro-buta-1,3-dienyl]benzotriazole","","C1=CC=C2C(=C1)N=NN2C(=CC(=C(N3C4=CC=CC=C4N=N3)Cl)[N+](=O)[O-])Cl","ZACOVMXRKJFRPR-SMZCMUPTSA-N","6477449",NA,"PDBC10137","665096","Present"
-"1-[(1r,2r,3As,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","Ketone, 1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1...","","CC1CC2C3C=C(C4=CC5=C(CC4(C3C(CC2(C1(C(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C","JNLRDLXILRYUQT-RCBUNWFXSA-N","255437",NA,"PDBC10138","80997","Present"
-"1-[(2(3)-Amino-3(2)-cyanoquinoxalin-6-yl N(sub 1),N(sub ...","","","","","","","","","","","","","","","","","","","","1-[(2(3)-Amino-3(2)-cyanoquinoxalin-6-yl N(sub 1),N(sub ...","","","","",NA,"PDBC10139","715793","Present"
-"1-[(2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl]pyrrolidine","","","","","","","","","","","","","","","","","","","","1-[(2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl]pyrrolidine","","CCCC[Sn]1(OCC(O1)CN2CCCC2)CCCC","BCFRNVBTEWLIOQ-UHFFFAOYSA-N","16683166",NA,"PDBC10140","633499","Present"
-"1-[(2,4-Dibromophenoxy)acetyl]-3-(5-nitro-2-furyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol","","","","","","","","","","","","","","","","","","","","1-[(2,4-Dibromophenoxy)acetyl]-3-(5-nitro-2-furyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol","","C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=C(C=C(C=C3)Br)Br)C4=CC=C(O4)[N+](=O)[O-]","VTSGAKSXJRYNQN-UHFFFAOYSA-N","367873",NA,"PDBC10141","638039","Present"
-"1-[(2,4-Dichlorophenyl)methyl]-2-propan-2-yl-imidazole; nitric acid","","","","","","","","","","","","","","","","","","","","1-[(2,4-Dichlorophenyl)methyl]-2-propan-2-yl-imidazole; nitric acid","","CC(C)C1=NC=CN1CC2=C(C=C(C=C2)Cl)Cl.[N+](=O)(O)[O-]","LWIDRZHNSJZQGP-UHFFFAOYSA-N","3246553",NA,"PDBC10142","196002","Present"
-"1-[(2,4-Dimethoxyphenyl)methyl]-3,3-dimethylazetidin-2-one","","","","","","","","","","","","","","","","","","","","1-[(2,4-Dimethoxyphenyl)methyl]-3,3-dimethylazetidin-2-one","","CC1(CN(C1=O)CC2=C(C=C(C=C2)OC)OC)C","IETVEXQRWQFDLV-UHFFFAOYSA-N","357696",NA,"PDBC10143","617213","Present"
-"1-[(2,6-Dimethyl-5-oxo-3-thioxo-1,2,4-triazin-4-yl)carbamothioyl]-1,3-dimethyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(2,6-Dimethyl-5-oxo-3-thioxo-1,2,4-triazin-4-yl)carbamothioyl]-1,3-dimethyl-thiourea","","CC1=NN(C(=S)N(C1=O)NC(=S)N(C)C(=S)NC)C","VPWIAHKZEGPNQH-UHFFFAOYSA-N","3004442",NA,"PDBC10144","655069","Present"
-"1-[(2-Acetoxyethoxy)methy]-5-(m-benzyloxy)benzylidenebarbituric Acid","","","","","","","","","","","","","","","","","","","","1-[(2-Acetoxyethoxy)methy]-5-(m-benzyloxy)benzylidenebar...","","CC(=O)OCCOCN1C(=O)C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)NC1=O","KFBYQZHPBRAGCM-MOSHPQCFSA-N","5469295",NA,"PDBC10145","685363","Present"
-"1-[(2-Acetoxyethoxy)methyl]barbituric Acid","","","","","","","","","","","","","","","","","","","","1-[(2-Acetoxyethoxy)methyl]barbituric Acid","","CC(=O)OCCOCN1C(=O)CC(=O)NC1=O","GTLSZXVPIAVXIH-UHFFFAOYSA-N","389358",NA,"PDBC10146","685362","Present"
-"1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-(cyclobutanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one","","","","","","","","","","","","","","","","","","","","1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-(cyclobutanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one","","COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)C4CCC4)CC(=O)CC3)O","CWPBBHOOZTYYBD-UHFFFAOYSA-N","401793",NA,"PDBC10147","715523","Present"
-"1-[(2-Chlorophenyl)methyl]-5-nitro-2H-indazol-3-one","","","","","","","","","","","","","","","","","","","","1-[(2-Chlorophenyl)methyl]-5-nitro-2H-indazol-3-one","","C1=CC=C(C(=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)Cl","BEJVFLFTKMAJCM-UHFFFAOYSA-N","384996",NA,"PDBC10148","675823","Present"
-"1-[(2-Hydroxy-5,5,8,8-tetramethyl-tetralin-1-yl)methyl]-5,5,8,8-tetramethyl-tetralin-2-ol","","","","","","","","","","","","","","","","","","","","1-[(2-Hydroxy-5,5,8,8-tetramethyl-tetralin-1-yl)methyl]-5,5,8,8-tetramethyl-tetralin-2-ol","","CC1(CCC(C2=C1C=CC(=C2CC3=C(C=CC4=C3C(CCC4(C)C)(C)C)O)O)(C)C)C","INPPHCDHMWZOBY-UHFFFAOYSA-N","268787",NA,"PDBC10149","109197","Present"
-"1-[(2-Hydroxyphenyl)carbonyl]-4-[(3-methoxy-4-hydroxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one","","","","","","","","","","","","","","","","","","","","(4E)-2-(2-Hydroxybenzoyl)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)O)OC)C(=O)C3=CC=CC=C3O","URAHCRSLMJYETI-NTEUORMPSA-N","135499336",NA,"PDBC10150","652179","Present"
-"1-[(2-Imidazoline-2-yloxy)amino]-3-methylcyclohexane-1-carbonitrile","","","","","","","","","","","","","","","","","","","","1-[(4,5-Dihydro-1H-imidazol-2-yloxy)amino]-3-methylcyclo...","","CC1CCCC(C1)(C#N)NOC2=NCCN2","WRTNENLRAPCLKW-UHFFFAOYSA-N","11736196",NA,"PDBC10151","730736","Present"
-"1-[(2-Imidazoline-2-yloxy)amino]-4-methylcyclohexane-1-carbonitrile","","","","","","","","","","","","","","","","","","","","1-[(4,5-Dihydro-1H-imidazol-2-yloxy)amino]-4-methylcyclo...","","CC1CCC(CC1)(C#N)NOC2=NCCN2","APILMGJQVBNJPB-UHFFFAOYSA-N","11148771",NA,"PDBC10152","730735","Present"
-"1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid","","COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCC(CC5)C(=O)O)OCO4","BXDITWFRCRAMCI-UHFFFAOYSA-N","16748947",NA,"PDBC10153","736596","Present"
-"1-[(2-Methoxyphenyl)methyl]-5-nitro-2H-indazol-3-one","","","","","","","","","","","","","","","","","","","","1-[(2-Methoxyphenyl)methyl]-5-nitro-2H-indazol-3-one","","COC1=CC=CC=C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2","VTSOYKJSMOBYQD-UHFFFAOYSA-N","384997",NA,"PDBC10154","675824","Present"
-"1-[(2-Methylquinolin-3-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;bromide","","","","","","","","","","","","","","","","","","","","1-[(2-methylquinolin-3-yl)methyl]-3,5,7-triaza-1-azoniat...","","CC1=NC2=CC=CC=C2C=C1C[N+]34CN5CN(C3)CN(C5)C4.[Br-]","IYASYYOEAXFOPQ-UHFFFAOYSA-M","5458295",NA,"PDBC10155","141562","Present"
-"1-[(2-Phenylquinoline-4-carbonyl)amino]-3-(p-tolyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(2-Phenylquinoline-4-carbonyl)amino]-3-(p-tolyl)thiourea","","CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","IWTXYLUPSHUNFR-UHFFFAOYSA-N","3005267",NA,"PDBC10156","687864","Present"
-"1-[(2-Sulfanylidene-1,3-benzothiazol-3-yl)sulfonyl]-3-(1,3,4-thiadiazol-2-yl)urea","","","","","","","","","","","","","","","","","","","","3-(1,3,4-Thiadiazol-2-yl)-1-[(2-thioxo-1,3-benzothiazol-3-yl)sulfonyl]urea","","C1=CC=C2C(=C1)N(C(=S)S2)S(=O)(=O)NC(=O)NC3=NN=CS3","WJABXMXBAAXJQD-UHFFFAOYSA-N","398810",NA,"PDBC10157","708949","Present"
-"1-[(2E)-2-Benzylidenehydrazino]-4-oxa-2-azaspiro[4.5]dec-1-en-3-one","","","","","","","","","","","","","","","","","","","","1-[(2E)-2-Benzylidenehydrazino]-4-oxa-2-azaspiro[4.5]dec-1-en-3-one","","C1CCC2(CC1)C(=NN=CC3=CC=CC=C3)NC(=O)O2","LOLBKOWYYPSLTE-LFIBNONCSA-N","135493925",NA,"PDBC10158","682129","Present"
-"1-[(2E)-2-Hydroxyimino-1-bicyclo[2.2.1]heptanyl]-N,N-di(propan-2-yl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","1-[(2E)-2-Hydroxyimino-1-bicyclo[2.2.1]heptanyl]-N,N-di(propan-2-yl)methanesulfonamide","","CC(C)N(C(C)C)S(=O)(=O)CC12CCC(C1)CC2=NO","NJYVNOMRLMLSSH-FYWRMAATSA-N","9572153",NA,"PDBC10159","705168","Present"
-"1-[(2R,4S,5R)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(2R,4S,5R)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=S)(C)OC","GNXXDTSYDREFSR-KFEFBBAKSA-N","9572423",NA,"PDBC10160","716002","Present"
-"1-[(2R,6R)-6-Methylpiperidin-2-yl]nonan-3-ol","","","","","","","","","","","","","","","","","","","","1-[(2R,6R)-6-Methylpiperidin-2-yl]nonan-3-ol","","CCCCCCC(CCC1CCCC(N1)C)O","XMQISTWKAYJRTI-GRKKQISMSA-N","370503",NA,"PDBC10161","643724","Present"
-"1-[(2S,3R)-2,8-Dimethyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanone;hydrobromide","","","","","","","","","","","","","","","","","","","","1-[(2s,3r)-2,8-Dimethyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanone hydrobromide","","CC1C(CC2(O1)CCN(CC2)C)(C3=CC=CC=C3)C(=O)C.Br","ONDWEYAZIYYQMY-NKGQWRHHSA-N","395104",NA,"PDBC10162","699395","Present"
-"1-[(2S,3R,4S,5R)-4-[Dimethyl(phenyl)silyl]oxy-5-(hydroxymethyl)-2,3,5-trimethyloxolan-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(2S,3R,4S,5R)-4-[Dimethyl(phenyl)silyl]oxy-5-(hydroxymethyl)-2,3,5-trimethyloxolan-3-yl]ethanone","","CC1C(C(C(O1)(C)CO)O[Si](C)(C)C2=CC=CC=C2)(C)C(=O)C","MMCUZIIBJNFDQR-DZOHQFGASA-N","401783",NA,"PDBC10163","715513","Present"
-"1-[(2S,3R,5E)-2-Methyl-5-(phenylmethoxymethylidene)oxolan-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(2S,3R,5E)-2-Methyl-5-(phenylmethoxymethylidene)oxolan-3-yl]ethanone","","CC1C(CC(=COCC2=CC=CC=C2)O1)C(=O)C","HPAYDONQDAQPIU-MCGVVMAKSA-N","5470309",NA,"PDBC10164","699390","Present"
-"1-[(2Z)-1-(4-Chlorophenyl)sulfanyl-2-(3-imino-6-methyl-2H-1,2,4-triazin-5-ylidene)ethyl]naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-[(2Z)-2-(3-Amino-6-methyl-2H-1,2,4-triazin-5-ylidene)-1-(4-chlorophenyl)sulfanylethyl]naphthalen-2-ol","","CC1=NNC(=NC1=CC(C2=C(C=CC3=CC=CC=C32)O)SC4=CC=C(C=C4)Cl)N","PSDAYKPTEPNXQE-PDGQHHTCSA-N","5797894",NA,"PDBC10165","698027","Present"
-"1-[(2Z)-3-Amino-3-phenylprop-2-enoyl]-3-phenyl-1H-pyrazol-5-amine","","","","","","","","","","","","","","","","","","","","1-[(2Z)-3-amino-3-phenylprop-2-enoyl]-3-phenyl-1H-pyrazo...","","C1=CC=C(C=C1)C2=NN(C(=C2)N)C(=O)C=C(C3=CC=CC=C3)N","GFEWMFOBMTXLAQ-PTNGSMBKSA-N","21825201",NA,"PDBC10166","749518","Present"
-"1-[(3,4-Dimethoxyphenyl)sulfonyl]piperazine","","","","","","","","","","","","","","","","","","","","IM-25","","COC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)OC","FFTNIOVRBBMUEN-UHFFFAOYSA-N","2769442",NA,"PDBC10167","783360","Present"
-"1-[(3,5-Ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]-3-(2,6-diisopropylphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(3,5-Ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]-3-(2,6-diisopropylphenyl)thiourea","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=S)N=NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C","BGOSZMJCHZCMNE-UHFFFAOYSA-N","3004375",NA,"PDBC10168","648904","Present"
-"1-[(3-Bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium;iodide","","","","","","","","","","","","","","","","","","","","1-(3-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium iodide","","C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C(=C3)Br)OC)OC.[I-]","GICCZHMJCCKPCW-UHFFFAOYSA-M","371240",NA,"PDBC10169","645297","Present"
-"1-[(3-Chlorophenyl)methyl]-3-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]indole","","","","","","","","","","","","","","","","","","","","1H-Indole, 3,3'-methylenebis[1-[(3-chlorophenyl)methyl]-","","C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)CC4=CN(C5=CC=CC=C54)CC6=CC(=CC=C6)Cl","CBHFDXLUFCROKD-UHFFFAOYSA-N","52951232",NA,"PDBC10170","766018","Present"
-"1-[(3-Methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-1H-indazol-3-amine","","","","","","","","","","","","","","","","","","","","1-[(3-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-1H-indazo...","","CC1=C(C(=NN1)C(=O)N2C3=CC=CC=C3C(=N2)N)[N+](=O)[O-]","HRTJHCCLKGWICX-UHFFFAOYSA-N","45028420",NA,"PDBC10171","742793","Present"
-"1-[(3-Oxohex-1-enyl)thio]hex-1-en-3-one","","","","","","","","","","","","","","","","","","","","1-(3-Oxo-hex-1-enylsulfanyl)-hex-1-en-3-one","","CCCC(=O)C=CSC=CC(=O)CCC","CDTBVBQRVUJCFF-FIFLTTCUSA-N","5473096",NA,"PDBC10172","723654","Present"
-"1-[(3As,6S)-6-methyl-2,3,3a,4-tetrahydrothieno[3,4-b]pyrrol-6-yl]-2-methylpropan-1-one","","","","","","","","","","","","","","","","","","","","1-[(3As,6s)-6-methyl-2,3,3a,4-tetrahydrothieno[3,4-b]pyrrol-6-yl]-2-methyl-propan-1-one","","CC(C)C(=O)C1(C2=NCCC2CS1)C","WMJIQBYLSJFXNR-KCJUWKMLSA-N","396910",NA,"PDBC10173","704089","Present"
-"1-[(3E)-3,4-Dichloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine","","","","","","","","","","","","","","","","","","","","Piperidine, 1,1'-(3,4-dichloro-2,4-dinitro-1,3-butadiene...","","C1CCN(CC1)C(=C(C(=C([N+](=O)[O-])Cl)Cl)[N+](=O)[O-])N2CCCCC2","VEKLVDNSIHENSL-QBFSEMIESA-N","3107921",NA,"PDBC10174","698394","Present"
-"1-[(3S)-2,3,8-Trimethyl-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(3s)-2,3,8-Trimethyl-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanone","","CC1C(CC2(O1)CCN(CC2)C)(C)C(=O)C","JOIPPKPXYFNWHT-PIJUOVFKSA-N","395101",NA,"PDBC10175","699392","Present"
-"1-[(3Z)-3-[(2-Iodophenyl)methylidene]-2-methoxy-2H-indol-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(3Z)-3-[(2-Iodophenyl)methylidene]-2-methoxy-2H-indol-1-yl]ethanone","","CC(=O)N1C(C(=CC2=CC=CC=C2I)C3=CC=CC=C31)OC","KGZQQBDHAFJPST-PTNGSMBKSA-N","5387218",NA,"PDBC10176","621863","Present"
-"1-[(3Z)-4-Chloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine","","","","","","","","","","","","","","","","","","","","1-[(3Z)-4-Chloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine","","C1CCN(CC1)C(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])N2CCCCC2","MWUMIOZSZRFLPF-ACCUITESSA-N","1550318",NA,"PDBC10177","665093","Present"
-"1-[(3s,5r)-2-(2-Hydroxyethyl)-3-(2-methylprop-1-enyl)isoxazolidin-5-yl]-5-methyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(3S,5R)-2-(2-Hydroxyethyl)-3-(2-methylprop-1-enyl)-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(N(O2)CCO)C=C(C)C","PUQNTPXZYFLCFE-VXGBXAGGSA-N","393259",NA,"PDBC10178","694909","Present"
-"1-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-{[(4,5-Dimethoxy-2-nitrobenzyl)oxy]carbonyl}-2,5-dihydro-1H-pyrrole-2-carboxylic acid","","COC1=C(C=C(C(=C1)COC(=O)N2CC=CC2C(=O)O)[N+](=O)[O-])OC","YWAOMLOXXUULMD-UHFFFAOYSA-N","375629",NA,"PDBC10179","655451","Present"
-"1-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonyl]azetidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-{[(4,5-Dimethoxy-2-nitrobenzyl)oxy]carbonyl}azetidine-2-carboxylic acid","","COC1=C(C=C(C(=C1)COC(=O)N2CCC2C(=O)O)[N+](=O)[O-])OC","MHBUVDBUGKJCOK-UHFFFAOYSA-N","375626",NA,"PDBC10180","655448","Present"
-"1-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonyl]piperidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-{[(4,5-Dimethoxy-2-nitrobenzyl)oxy]carbonyl}piperidine-2-carboxylic acid","","COC1=C(C=C(C(=C1)COC(=O)N2CCCCC2C(=O)O)[N+](=O)[O-])OC","OUMMFGKKQUIMBO-UHFFFAOYSA-N","375623",NA,"PDBC10181","655445","Present"
-"1-[(4-Bromophenyl)azo]naphthalene-2-ol","","","","","","","","","","","","","","","","","","","","STL326990","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)Br)O","RIOZOASPCSFDHC-UHFFFAOYSA-N","250859",NA,"PDBC10182","70808","Present"
-"1-[(4-Bromophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate","","","","","","","","","","","","","","","","","","","","1-[(4-Bromophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate","","C1CC[P+](CC1)(CC2=CC=C(C=C2)Br)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","NMESMQYEJALXJY-UHFFFAOYSA-M","24202000",NA,"PDBC10183","617037","Present"
-"1-[(4-Chlorophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate","","","","","","","","","","","","","","","","","","","","1-[(4-Chlorophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate","","C1CC[P+](CC1)(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","JAMVRDJABTUURJ-UHFFFAOYSA-M","24202001",NA,"PDBC10184","617039","Present"
-"1-[(4-Chlorophenyl)methyl]-2,5-dimethyl-3-phenylpyrrole","","","","","","","","","","","","","","","","","","","","1-(4-chlorobenzyl)-2,5-dimethyl-3-phenyl-1H-pyrrole","","CC1=CC(=C(N1CC2=CC=C(C=C2)Cl)C)C3=CC=CC=C3","GRAMJHBIOUFMDD-UHFFFAOYSA-N","155815953",NA,"PDBC10185","764901","Present"
-"1-[(4-Chlorophenyl)sulfonyl]-2-methyl-1H-imidazole","","","","","","","","","","","","","","","","","","","","Cambridge id 5477562","","CC1=NC=CN1S(=O)(=O)C2=CC=C(C=C2)Cl","KLPLWWRXBYLZHN-UHFFFAOYSA-N","402990",NA,"PDBC10186","717463","Present"
-"1-[(4-Chlorophenyl)sulfonyl]-3-propylimidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(4-Chlorophenyl)sulfonyl]-3-propylimidazolidine-2,4-dione","","CCCN1C(=O)CN(C1=O)S(=O)(=O)C2=CC=C(C=C2)Cl","DBHQHKXAYOYAEM-UHFFFAOYSA-N","389564",NA,"PDBC10187","685870","Present"
-"1-[(4-Fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-[(4-Fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile","","C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC=C(C=C5)F)C#N","OBLVGGZVBASFLN-UHFFFAOYSA-N","395404",NA,"PDBC10188","699940","Present"
-"1-[(4-Fluorophenyl)methyl]-2,3-dihydro-2-(methylamino)quinazolin-4(1H)-one","","","","","","","","","","","","","","","","","","","","1-[(4-Fluorophenyl)methyl]-2,3-dihydro-2-(methylamino)quinazolin-4(1H)-one","","CNC1NC(=O)C2=CC=CC=C2N1CC3=CC=C(C=C3)F","IBDIVVAMYPQHIJ-UHFFFAOYSA-N","72998",NA,"PDBC10189","364164","Present"
-"1-[(4-Fluorophenyl)methyl]-4-[N-sulfamoyl-3,5-bis(trifluoromethyl)anilino]piperidine","","","","","","","","","","","","","","","","","","","","1-[(4-Fluorophenyl)methyl]-4-[N-sulfamoyl-3,5-bis(trifluoromethyl)anilino]piperidine","","C1CN(CCC1N(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)N)CC3=CC=C(C=C3)F","MRWYFUXCJYHXHO-UHFFFAOYSA-N","54613152",NA,"PDBC10190","750773","Present"
-"1-[(4-Fluorophenylsulfonyl)-1-methyl-2-methylamimosulfonyl hydrazine","","","","","","","","","","","","","","","","","","","","1-[(4-fluorophenylsulfonyl)-1-methyl-2-methylamimosulfon...","","CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=C(C=C1)F","TVMBFVFVXXTWSL-UHFFFAOYSA-N","371897",NA,"PDBC10191","646481","Present"
-"1-[(4-Methoxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-diol ate","","","","","","","","","","","","","","","","","","","","1-[(4-Methoxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-...","","COC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]","VUWQXQXCPDFPCD-AQTBWJFISA-N","11646385",NA,"PDBC10192","731698","Present"
-"1-[(4-Methoxyphenyl)methyl]-1-phenylphosphinan-1-ium;1-[(4-nitrophenyl)methyl]-1-phenylphosphinan-1-ium;diperchlorate","","","","","","","","","","","","","","","","","","","","1-[(4-Methoxyphenyl)methyl]-1-phenylphosphinan-1-ium;1-[(4-nitrophenyl)methyl]-1-phenylphosphinan-1-ium;diperchlorate","","COC1=CC=C(C=C1)C[P+]2(CCCCC2)C3=CC=CC=C3.C1CC[P+](CC1)(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O","COGGZRFHAGFKOC-UHFFFAOYSA-L","54600813",NA,"PDBC10193","617040","Present"
-"1-[(4-Methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","1-[(4-Methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","","COC1=CC=C(C=C1)CC2C3=C(CCN2)C4=CC=CC=C4N3","JMTXCECACMNNRS-UHFFFAOYSA-N","359182",NA,"PDBC10194","619864","Present"
-"1-[(4-Methoxyphenyl)methyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline;hydrobromide","","","","","","","","","","","","","","","","","","","","1-[(4-Methoxyphenyl)methyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline;hydrobromide","","CN1CCC2=C(C1CC3=CC=C(C=C3)OC)CCCC2.Br","ONOQGUQAGAQCLQ-UHFFFAOYSA-N","356227",NA,"PDBC10195","611381","Present"
-"1-[(4-Methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium-6,7-diol","","","","","","","","","","","","","","","","","","","","7-Hydroxy-1-(4-methoxybenzyl)-2-methylisoquinolin-6(2H)-one","","CN1C=CC2=CC(=O)C(=CC2=C1CC3=CC=C(C=C3)OC)O","LCPHLHANZXJDQN-UHFFFAOYSA-N","371203",NA,"PDBC10196","645253","Present"
-"1-[(4-Methoxyphenyl)methyl]-3-[(4-phenyltriazol-1-yl)methyl]urea","","","","","","","","","","","","","","","","","","","","1-[(4-Methoxyphenyl)methyl]-3-[(4-phenyltriazol-1-yl)methyl]urea","","COC1=CC=C(C=C1)CNC(=O)NCN2C=C(N=N2)C3=CC=CC=C3","WJBYCLZSYDGJQD-UHFFFAOYSA-N","386629",NA,"PDBC10197","679083","Present"
-"1-[(4-Methoxyphenyl)methyl]-5-nitro-2-(2-pyridylmethyl)indazol-3-one","","","","","","","","","","","","","","","","","","","","1-[(4-Methoxyphenyl)methyl]-5-nitro-2-(2-pyridylmethyl)indazol-3-one","","COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=CC=N4","RBYLWWKLRVCUOX-UHFFFAOYSA-N","386344",NA,"PDBC10198","678127","Present"
-"1-[(4-Methoxyphenyl)methyl]-5-nitro-3-(2-pyridylmethoxy)indazole","","","","","","","","","","","","","","","","","","","","1-[(4-Methoxyphenyl)methyl]-5-nitro-3-(2-pyridylmethoxy)indazole","","COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=N4","GVAJNWZEAFSSRT-UHFFFAOYSA-N","386339",NA,"PDBC10199","678122","Present"
-"1-[(4-Methoxyphenyl)methyl]spiro[4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c][1,3]oxazine-3,1'-cyclohexane]","","","","","","","","","","","","","","","","","","","","1-[(4-Methoxyphenyl)methyl]spiro[4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c][1,3]oxazine-3,1'-cyclohexane]","","COC1=CC=C(C=C1)CC2N3CCCCC3CC4(O2)CCCCC4","FWJSXPCRIJBROV-UHFFFAOYSA-N","356126",NA,"PDBC10200","611218","Present"
-"1-[(4-Methoxyphenyl)thio]-1-(1-methylethenyl)cyclopropane","","","","","","","","","","","","","","","","","","","","1-[(4-Methoxyphenyl)thio]-1-(1-methylethenyl)cyclopropane","","CC(=C)C1(CC1)SC2=CC=C(C=C2)OC","DOFSVJNXQPMMFC-UHFFFAOYSA-N","400116",NA,"PDBC10201","711606","Present"
-"1-[(4-Methylphenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate","","","","","","","","","","","","","","","","","","","","1-[(4-Methylphenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate","","CC1=CC=C(C=C1)C[P+]2(CCCCC2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","CHOMHMUCGCTXJI-UHFFFAOYSA-M","24202004",NA,"PDBC10202","617043","Present"
-"1-[(4-Methylphenyl)sulfanylmethyl]piperidine; 4-nitrobenzoyl chloride","","","","","","","","","","","","","","","","","","","","SC-54689","","CC1=CC=C(C=C1)SCN2CCCCC2.C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]","FJHZCTHZJUERHJ-UHFFFAOYSA-N","245762",NA,"PDBC10203","57998","Present"
-"1-[(4-Methylphenyl)sulfonyl]-2-piperidineethanol","","","","","","","","","","","","","","","","","","","","1-[(4-Methylphenyl)sulfonyl]-2-piperidineethanol","","CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCO","PSFIACOPJOGEJX-UHFFFAOYSA-N","358286",NA,"PDBC10204","618228","Present"
-"1-[(4-Methylphenyl)sulfonylamino]-3-(4-nitrophenyl)urea","","","","","","","","","","","","","","","","","","","","1-[(4-Methylphenyl)sulfonylamino]-3-(4-nitrophenyl)urea","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]","GCAZMHZSAPISKY-UHFFFAOYSA-N","3704318",NA,"PDBC10205","674494","Present"
-"1-[(4-Methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]urea","","","","","","","","","","","","","","","","","","","","1-[(4-Methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]urea","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F","HASDMVCKRVYYBB-UHFFFAOYSA-N","381839",NA,"PDBC10206","668912","Present"
-"1-[(4-Methylphenyl)sulfonylamino]-3-naphthalen-1-ylthiourea","","","","","","","","","","","","","","","","","","","","1-[(4-Methylphenyl)sulfonylamino]-3-naphthalen-1-ylthiourea","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=CC3=CC=CC=C32","WCUOSCDSCTYESZ-UHFFFAOYSA-N","3755655",NA,"PDBC10207","668911","Present"
-"1-[(4-Nitrophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate","","","","","","","","","","","","","","","","","","","","1-[(4-Nitrophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate","","C1CC[P+](CC1)(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","ZQMXFLRITXQUDJ-UHFFFAOYSA-M","24202002",NA,"PDBC10208","617041","Present"
-"1-[(4-Nitrophenyl)methyl]oxazolo[5,4-b]pyridin-2-one","","","","","","","","","","","","","","","","","","","","1-(4-Nitrobenzyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one","","C1=CC2=C(N=C1)OC(=O)N2CC3=CC=C(C=C3)[N+](=O)[O-]","GFLYRMAPWVALID-UHFFFAOYSA-N","380516",NA,"PDBC10209","666130","Present"
-"1-[(4-Pyridin-2-ylpiperazin-1-yl)acetyl]-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one","","","","","","","","","","","","","","","","","","","","1-[(4-Pyridin-2-ylpiperazin-1-yl)acetyl]-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one","","C1CN2C(=O)C3=CC=CC=C3N=C2N(C1)C(=O)CN4CCN(CC4)C5=CC=CC=N5","FSARVCXQIQFJBV-UHFFFAOYSA-N","381983",NA,"PDBC10210","669303","Present"
-"1-[(4-aminophenyl)-(4-hydroxyphenyl)methylidene]-[3]ferr...","","","","","","","","","","","","","","","","","","","","1-[(4-aminophenyl)-(4-hydroxyphenyl)methylidene]-[3]ferr...","","","","",NA,"PDBC10211","756998","Present"
-"1-[(4-n-Propylcarbonyl)piperazine-1-yl]diazen-1-ium-1,2-diol ate","","","","","","","","","","","","","","","","","","","","1-[(4-n-Propylcarbonyl)piperazine-1-yl]diazen-1-ium-1,2-...","","CCCOC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]","DDMQMEHUBDWPBT-HKWRFOASSA-N","11502167",NA,"PDBC10212","731699","Present"
-"1-[(4Ar,5R,11cS)-5-chloro-7-(4-methoxyphenyl)sulfonyl-3,4,4a,5,6,11c-hexahydro-2H-pyrido[3,2-c]carbazol-1-yl]-2-(p-tolylsulfinyl)ethanone","","","","","","","","","","","","","","","","","","","","1-[(4Ar,5R,11cS)-5-chloro-7-(4-methoxyphenyl)sulfonyl-3,4,4a,5,6,11c-hexahydro-2H-pyrido[3,2-c]carbazol-1-yl]-2-(4-methylphenyl)sulfinylethanone","","CC1=CC=C(C=C1)S(=O)CC(=O)N2CCCC3C2C4=C(CC3Cl)N(C5=CC=CC=C54)S(=O)(=O)C6=CC=C(C=C6)OC","FUFMXEHZPUASGK-APLHKVLPSA-N","386810",NA,"PDBC10213","679518","Present"
-"1-[(4As,6R,7S,8S,8aS)-8-hydroxy-3-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(4As,6R,7S,8S,8aS)-8-hydroxy-3-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-yl]ethanone","","CC1=C(SC2C(C(C(OC2O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O)C(=O)C","WUYSQXJGOOIPRC-SBSLQGDRSA-N","398461",NA,"PDBC10214","708237","Present"
-"1-[(4R)-4-(6-Bromo-2H-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one","","","","","","","","","","","","","","","","","","","","1-[4-(6-bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro...","","CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC5=C(C=C4Br)OCO5","VHSVKVWHYFBIFJ-OCJVHDGVSA-N","45028686",NA,"PDBC10215","743735","Present"
-"1-[(4R,6S)-14-Hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(4R,6S)-14-Hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl]ethanone","","CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(CCC45C)O)C","DDRAGVMBTDXIII-QJYPHQRNSA-N","24204235",NA,"PDBC10216","731022","Present"
-"1-[(5-Bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(4-nitrophenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(5-Bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(4-nitrophenyl)thiourea","","C1=CC(=CC=C1NC(=S)N=NC2=C(NC3=C2C=C(C=C3)Br)O)[N+](=O)[O-]","SEPIAHLFVAJTPK-UHFFFAOYSA-N","135426766",NA,"PDBC10217","716772","Present"
-"1-[(5-Hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[(5-Hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-5-methyl-pyrimidine-2,4-dione hydrochloride","","CC1=CN(C(=O)NC1=O)CC2=NCC(CN2)O.Cl","WBPHSAZRFCLJKW-UHFFFAOYSA-N","396427",NA,"PDBC10218","702404","Present"
-"1-[(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)amino]-3-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","1-[(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)amino]-3-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione","","C=CCN1C(=O)CC(=O)N(C1=S)NC2=NNC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2","VRPGDYMAUQOCQC-UHFFFAOYSA-N","135409207",NA,"PDBC10219","666173","Present"
-"1-[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-hydroxyurea;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-hydroxyurea;hydrochloride","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)NO.Cl","PGPHUHZATVJRGC-IRIMGNFJSA-N","382833",NA,"PDBC10220","670663","Present"
-"1-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylene)-4H-thiazol-2-yl]-2-[4-(3-nitrophenyl)thiazol-2-yl]hydrazine","","","","","","","","","","","","","","","","","","","","1-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazine","","C1C(=CC2=CC3=C(C=C2)OCO3)SC(=N1)NNC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]","YBYARWBVEFMVNB-UUASQNMZSA-N","6477390",NA,"PDBC10221","657594","Present"
-"1-[(6-Methoxynaphthalen-2-yl)methyl]-3-(naphthalen-2-ylmethyl)imidazol-3-ium","","","","","","","","","","","","","","","","","","","","1-((6-methoxynaphthalen-2-yl)methyl)-3-(naphthalen-2-ylm...","","COC1=CC2=C(C=C1)C=C(C=C2)CN3C=C[N+](=C3)CC4=CC5=CC=CC=C5C=C4","BAWOEXIUXCIASW-UHFFFAOYSA-N","155816406",NA,"PDBC10222","788914","Present"
-"1-[(7-Chloroquinolin-4-yl)amino]-3-(cyclohexylamino)propan-2-ol","","","","","","","","","","","","","","","","","","","","1-[(7-Chloroquinolin-4-yl)amino]-3-(cyclohexylamino)prop...","","C1CCC(CC1)NCC(CNC2=C3C=CC(=CC3=NC=C2)Cl)O","JEWOVFPNPJKWHN-UHFFFAOYSA-N","273914",NA,"PDBC10223","119608","Present"
-"1-[(7-Methyl-4-oxo-1H-1,8-naphthyridine-3-carbonyl)amino]-3-propylurea","","","","","","","","","","","","","","","","","","","","1-[(7-Methyl-4-oxo-1H-1,8-naphthyridine-3-carbonyl)amino]-3-propylurea","","CCCNC(=O)NNC(=O)C1=CNC2=C(C1=O)C=CC(=N2)C","QKXSVBLGVPRBKV-UHFFFAOYSA-N","5470954",NA,"PDBC10224","706813","Present"
-"1-[(7Ar)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-[(7Ar)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione","","CN1CCC23C4C(=O)C=CC2(C1CC5=C3C(=C(C=C5)OC)O4)N6C(=O)N(C(=O)N6)C7=CC=CC=C7","RDZVHWCUCKGHHO-DXQPFGFXSA-N","398112",NA,"PDBC10225","707478","Present"
-"1-[(7E)-3-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(7E)-3-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone","","CC1CC2C(N(N=C2C(=CC3=CC(=C(C=C3)OC)OC)C1)C(=O)C)C4=CC(=C(C=C4)OC)OC","IYAWTKUKPKSZKS-DEDYPNTBSA-N","24205852",NA,"PDBC10226","737018","Present"
-"1-[(7E)-3-(4-Methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(7E)-3-(4-Methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone","","CC1CC2C(N(N=C2C(=CC3=CC=C(C=C3)OC)C1)C(=O)C)C4=CC=C(C=C4)OC","QWGMHAXSMBUANT-HMMYKYKNSA-N","24205851",NA,"PDBC10227","737016","Present"
-"1-[(7E)-4-Methyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(7E)-4-Methyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone","","CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=NN(C(C13)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C","ZPAZFINDELEEPK-YBFXNURJSA-N","5778618",NA,"PDBC10228","690751","Present"
-"1-[(7E)-7-Benzylidene-5-methyl-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(7E)-7-Benzylidene-5-methyl-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone","","CC1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)C)C4=CC=CC=C4","ROMBQXOFAFYLMB-HMMYKYKNSA-N","24205850",NA,"PDBC10229","737015","Present"
-"1-[(9E)-7-(4,4-Dimethylcyclohexyl)sulfonyl-9-hydroxyiminofluoren-2-yl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol","","","","","","","","","","","","","","","","","","","","(E/Z)-2-((4,4-dimethylcyclohexyl)sulfonyl)-7-((4-hydroxy...","","CC1(CCC(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)N5CCC(CC5)(C6=CC(=CC=C6)C(F)(F)F)O)C","SPQNVRNQSIYXEO-GGFUHWEBSA-N","155805703",NA,"PDBC10230","789646","Present"
-"1-[(9R,10R)-10-(4,4-Dimethyl-5H-1,3-oxazol-2-yl)-10-prop-2-enyl-9H-phenanthren-9-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[(9r,10r)-10-Allyl-10-(4,4-dimethyl-5h-oxazol-2-yl)-9h-phenanthren-9-yl]ethanone","","CC(=O)C1C2=CC=CC=C2C3=CC=CC=C3C1(CC=C)C4=NC(CO4)(C)C","UAQKEOCMFQELOM-QPPBQGQZSA-N","399176",NA,"PDBC10231","709746","Present"
-"1-[(Acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","1-[(Acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester","","CC(=O)N(CN1C(CCC1=O)C(=O)OC)C2=CC=CC=C2","PFAPDFVWLGLMIL-UHFFFAOYSA-N","389180",NA,"PDBC10232","684864","Present"
-"1-[(Dimethylamino)methyl]-2-hydroxy-5-(4-methoxyphenyl)benzo[b]carbazole-6,11-dione","","","","","","","","","","","","","","","","","","","","1-[(Dimethylamino)methyl]-2-hydroxy-5-(4-methoxyphenyl)-5h-benzo[b]carbazole-6,11-dione","","CN(C)CC1=C(C=CC2=C1C3=C(N2C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5C3=O)O","ZZYHQOMQXQFRSH-UHFFFAOYSA-N","404491",NA,"PDBC10233","720727","Present"
-"1-[(Dimethylamino)methyl]-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione","","","","","","","","","","","","","","","","","","","","1-[(Dimethylamino)methyl]-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione","","CN1C2=C(C(=C(C=C2)O)CN(C)C)C3=C1C(=O)C4=CC=CC=C4C3=O","DSFNYWHDFYBZEX-UHFFFAOYSA-N","405604",NA,"PDBC10234","722974","Present"
-"1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(2-methoxyphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(2-methoxyphenyl)thiourea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=CC=C3OC","PIHNRVJHSZRWFN-FYJGNVAPSA-N","9571653",NA,"PDBC10235","695334","Present"
-"1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-methoxyphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-methoxyphenyl)thiourea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)OC","FBGVQYDSCMCYQC-FYJGNVAPSA-N","9571651",NA,"PDBC10236","695332","Present"
-"1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-nitrophenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-nitrophenyl)thiourea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]","GGBNDBSELJVPFT-UDWIEESQSA-N","9571650",NA,"PDBC10237","695331","Present"
-"1-[(E)-(2,4-Dimethoxy-3-methyl-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(2,4-Dimethoxy-3-methylphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C=CC(=C1OC)C=NN=C(N)NO)OC","HZBUELSLRDPRAD-AWFSDRIXSA-N","9574176",NA,"PDBC10238","646108","Present"
-"1-[(E)-(2,4-Dimethoxyphenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","1-[(E)-(2,4-Dimethoxyphenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C=C1)C=NN=C(N)NO)OC","XGSPZNWGHVMVEE-WXIWBVQFSA-N","9574174",NA,"PDBC10239","646107","Present"
-"1-[(E)-(2,4-Dioxochroman-3-ylidene)methyl]-3-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-[(E)-(2,4-Dioxochroman-3-ylidene)methyl]-3-phenyl-urea","","C1=CC=C(C=C1)NC(=O)N=CC2=C(C3=CC=CC=C3OC2=O)O","UKPVNCGATHBEEC-VCHYOVAHSA-N","135409041",NA,"PDBC10240","655966","Present"
-"1-[(E)-(2-Bromo-4,5-dimethoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Bromo-4,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C(=C1)C=NN=C(N)NO)Br)OC","YJXCQHUVUSAOOJ-CMZQJCRFSA-N","9574162",NA,"PDBC10241","646101","Present"
-"1-[(E)-(2-Chloro-1-phenyl-indol-3-yl)methyleneamino]imidazolidin-2-one","","","","","","","","","","","","","","","","","","","","1-[(E)-(2-Chloro-1-phenyl-indol-3-yl)methyleneamino]imidazolidin-2-one","","C1CN(C(=O)N1)N=CC2=C(N(C3=CC=CC=C32)C4=CC=CC=C4)Cl","QQPVSOPLFJRVKJ-CIAFOILYSA-N","9571561",NA,"PDBC10242","682886","Present"
-"1-[(E)-(2-Chloro-3-hydroxy-4-methoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)C=NN=C(N)NO)Cl)O","KGBUQFVHVSEMGP-AQCBZIOHSA-N","9574172",NA,"PDBC10243","646106","Present"
-"1-[(E)-(2-Chloro-4-hydroxy-5-methoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C(=C1)C=NN=C(N)NO)Cl)O","ODIDSMOFECOYSU-AQCBZIOHSA-N","135499237",NA,"PDBC10244","646105","Present"
-"1-[(E)-(2-Ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","1-[(E)-(2-Ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine","","CCOC1=CC=CC=C1C=NNC(=NN=CC2=CC=CC=C2OCC)N","DWYBOGPOZRQOEY-VOKWCDJLSA-N","54606037",NA,"PDBC10245","68155","Present"
-"1-[(E)-(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea;nickel;2-pyridin-2-ylpyridine","","","","","","","","","","","","","","","","","","","","1-[(E)-(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea;nickel;2-pyridin-2-ylpyridine","","","","",NA,"PDBC10246","638305","Present"
-"1-[(E)-(2-Hydroxyphenyl)methylideneamino]-3-(4-sulfamoylphenyl)urea","","","","","","","","","","","","","","","","","","","","1-[(E)-(2-Hydroxyphenyl)methylideneamino]-3-(4-sulfamoylphenyl)urea","","C1=CC=C(C(=C1)C=NNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)O","QVBXXFWCMIMOJK-CXUHLZMHSA-N","135436228",NA,"PDBC10247","715175","Present"
-"1-[(E)-(2-Nitrophenyl)methylideneamino]-3-(4-sulfamoylphenyl)urea","","","","","","","","","","","","","","","","","","","","1-[(E)-(2-Nitrophenyl)methylideneamino]-3-(4-sulfamoylphenyl)urea","","C1=CC=C(C(=C1)C=NNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]","XWNMBUMSVPALEI-CXUHLZMHSA-N","9572403",NA,"PDBC10248","715176","Present"
-"1-[(E)-(3,4-Dihydroxyphenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","1-[(E)-(3,4-Dihydroxyphenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1C=NN=C(N)NO)O)O","KRVXPFUSWKFAMH-FCVRUTMISA-N","135499233",NA,"PDBC10249","646102","Present"
-"1-[(E)-(4-Chlorophenyl)methylideneamino]-7-methyl-N-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide","","","","","","","","","","","","","","","","","","","","1-[(E)-(4-Chlorophenyl)methylideneamino]-7-methyl-N-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide","","CC1=CC=C(C=C1)NC(=O)C2=C3N(CCN3N=CC4=CC=C(C=C4)Cl)C(=O)N=C2C","HJFCCGKJACNJTL-ZMOGYAJESA-N","9571770",NA,"PDBC10250","648202","Present"
-"1-[(E)-(5-Oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-[(E)-(5-Oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrrolidine-2-carboxylic acid","","C1CC(N(C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)C(=O)O","LBZVFNAADRUKSN-PKNBQFBNSA-N","5467308",NA,"PDBC10251","650033","Present"
-"1-[(E)-(6-Chloroimidazo[2,1-b]thiazol-5-yl)methyleneamino]guanidine","","","","","","","","","","","","","","","","","","","","1-[(E)-(6-Chloroimidazo[2,1-b]thiazol-5-yl)methyleneamino]guanidine","","C1=CSC2=NC(=C(N21)C=NN=C(N)N)Cl.Cl","OYXDGDUSQGWWEU-KODGKZAJSA-N","9571910",NA,"PDBC10252","670875","Present"
-"1-[(E)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-[(E)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-phenylurea","","COC1=CC2=C(C=C1)C=C(C=C2)C=NNC(=O)NC3=CC=CC=C3","IMTVAKNFSMUIEQ-DEDYPNTBSA-N","9556180",NA,"PDBC10253","671927","Present"
-"1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-(2-pyridylmethyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-(2-pyridylmethyl)thiourea","","CC1=NC(=CC=C1)C=NNC(=S)NCC2=CC=CC=N2","CHESFSICKVAAIE-LICLKQGHSA-N","9571918",NA,"PDBC10254","670966","Present"
-"1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-[2-(2-pyridyl)ethyl]thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-[2-(2-pyridyl)ethyl]thiourea","","CC1=NC(=CC=C1)C=NNC(=S)NCCC2=CC=CC=N2","FKJDNGUHRIOLQT-WOJGMQOQSA-N","9571919",NA,"PDBC10255","670967","Present"
-"1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-phenyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-phenyl-thiourea","","CC1=NC(=CC=C1)C=NNC(=S)NC2=CC=CC=C2","NNYFHMVRHSJYIQ-XNTDXEJSSA-N","9554751",NA,"PDBC10256","667884","Present"
-"1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-propyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-propyl-thiourea","","CCCNC(=S)NN=CC1=CC=CC(=N1)C","MHUYOCMNHSGPCA-MDWZMJQESA-N","9571906",NA,"PDBC10257","670781","Present"
-"1-[(E)-1,3-Benzodioxol-5-ylmethylideneamino]-3-(2-chlorophenyl)urea","","","","","","","","","","","","","","","","","","","","1-[(E)-1,3-Benzodioxol-5-ylmethylideneamino]-3-(2-chlorophenyl)urea","","C1OC2=C(O1)C=C(C=C2)C=NNC(=O)NC3=CC=CC=C3Cl","NQEHPFRGTXEVFX-CAOOACKPSA-N","9572409",NA,"PDBC10258","715192","Present"
-"1-[(E)-1-(2-Hydroxy-4,5-dimethoxy-phenyl)ethylideneamino]-3-methyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-1-(2-Hydroxy-4,5-dimethoxy-phenyl)ethylideneamino]-3-methyl-thiourea","","CC(=NNC(=S)NC)C1=CC(=C(C=C1O)OC)OC","ZUUVJALLOGMBMS-VGOFMYFVSA-N","135493997",NA,"PDBC10259","689548","Present"
-"1-[(E)-1-(2-Hydroxy-4-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-1-(2-Hydroxy-4-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea","","CC(=NNC(=S)NC)C1=C(C=C(C=C1)OC)O","FPZBHJNCBMQKKI-NTUHNPAUSA-N","135493995",NA,"PDBC10260","689546","Present"
-"1-[(E)-1-(2-Hydroxy-5-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-1-(2-Hydroxy-5-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea","","CC(=NNC(=S)NC)C1=C(C=CC(=C1)OC)O","XAPVLTLBQUZWEU-NTUHNPAUSA-N","135493993",NA,"PDBC10261","689544","Present"
-"1-[(E)-1-(2-Pyridyl)ethylideneamino]-3-[2-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]ethyl]thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-1-Pyridin-2-ylethylideneamino]-3-[2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]ethyl]thiourea","","CC(=NNC(=S)NCCNC(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2","OCOPLUDKYCFUIL-RNIAWFEPSA-N","9554737",NA,"PDBC10262","667877","Present"
-"1-[(E)-1H-Indol-3-ylmethylideneamino]-2-phenylguanidine;nitric acid","","","","","","","","","","","","","","","","","","","","Hydrazinecarboximidamide, 2-[(1H-indol-3-yl)methylene]- ...","","C1=CC=C(C=C1)N=C(N)NN=CC2=CNC3=CC=CC=C32.[N+](=O)(O)[O-]","UXEDIXOEIRVKCV-YLFUTEQJSA-N","135439995",NA,"PDBC10263","644582","Present"
-"1-[(E)-2-(1-Methylquinolin-1-ium-2-yl)ethenyl]naphthalen-2-ol;iodide","","","","","","","","","","","","","","","","","","","","1-[(E)-2-(1-Methylquinolin-1-ium-2-yl)ethenyl]naphthalen-2-ol;iodide","","C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=C(C=CC4=CC=CC=C43)O.[I-]","MTHILUOUELJKSY-UHFFFAOYSA-N","54601852",NA,"PDBC10264","152210","Present"
-"1-[(E)-2-(1-Phenyltetrazol-5-yl)vinyl]piperidine","","","","","","","","","","","","","","","","","","","","1-[(E)-2-(1-Phenyltetrazol-5-yl)vinyl]piperidine","","C1CCN(CC1)C=CC2=NN=NN2C3=CC=CC=C3","XBOVYKXOQWFXTR-FMIVXFBMSA-N","5468653",NA,"PDBC10265","673515","Present"
-"1-[(E)-2-(2-Furyl)vinyl]-3-(p-tolyl)pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-[(E)-2-(2-Furyl)vinyl]-3-(p-tolyl)pyrazino[1,2-a]benzimidazole","","CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C=CC5=CC=CO5","HPKMPHSMTRQXDQ-OUKQBFOZSA-N","5471216",NA,"PDBC10266","709478","Present"
-"1-[(E)-2-(3,4-Dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-[(E)-2-(3,4-Dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole","","C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C=CC5=CC(=C(C=C5)Cl)Cl","WPFRNRABZXQVMG-ACCUITESSA-N","5471210",NA,"PDBC10267","709472","Present"
-"1-[(E)-2-Diethoxyphosphorylvinyl]-5-methyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(E)-2-Diethoxyphosphorylvinyl]-5-methyl-pyrimidine-2,4-dione","","CCOP(=O)(C=CN1C=C(C(=O)NC1=O)C)OCC","UXLGYEMCEQNJGM-VOTSOKGWSA-N","5470771",NA,"PDBC10268","704891","Present"
-"1-[(E)-2-Diethoxyphosphorylvinyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(E)-2-Diethoxyphosphorylvinyl]pyrimidine-2,4-dione","","CCOP(=O)(C=CN1C=CC(=O)NC1=O)OCC","RRXIPCLAHYKRSU-BQYQJAHWSA-N","5470769",NA,"PDBC10269","704889","Present"
-"1-[(E)-2-[4-[(E)-2-(2,4-Dinitrophenyl)vinyl]phenyl]vinyl]-2,4-dinitro-benzene","","","","","","","","","","","","","","","","","","","","1,1'-[4,1-Phenylenebis(1,2-ethenediyl)]bis(2,4-dinitrobenzene)","","C1=CC(=CC=C1C=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","CDSARYSJQNNQEW-KQQUZDAGSA-N","5387794",NA,"PDBC10270","627411","Present"
-"1-[(E)-3,4,5-Trihydroxypent-1-enyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(E)-3,4,5-Trihydroxypent-1-enyl]pyrimidine-2,4-dione","","C1=CN(C(=O)NC1=O)C=CC(C(CO)O)O","BLUCVFFICDEGFV-HNQUOIGGSA-N","5466793",NA,"PDBC10271","642711","Present"
-"1-[(E)-3,4-Dimethoxystyryl]isoquinoline","","","","","","","","","","","","","","","","","","","","J3.572.469I","","COC1=C(C=C(C=C1)C=CC2=NC=CC3=CC=CC=C32)OC","YIPPOXZOZWCKNX-VQHVLOKHSA-N","5939833",NA,"PDBC10272","176654","Present"
-"1-[(E)-3-(2,4-Dichlorophenyl)-3-oxoprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","","","","","","","","","","","","","","","","","","","9-(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-en-1-yl)-9,10-d...","","C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=CC(=O)C6=C(C=C(C=C6)Cl)Cl)C(=O)NC4=O","QRFFXDFDFJRMOC-VAWYXSNFSA-N","155806401",NA,"PDBC10273","803360","Present"
-"1-[(E)-3-(4-Ethylphenyl)-3-oxoprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","","","","","","","","","","","","","","","","","","","9-(E)-3-(4-ethylphenyl)-3-oxoprop-1-en-1-yl)-9,10-dihydr...","","CCC1=CC=C(C=C1)C(=O)C=CC23C4C(C(C5=CC=CC=C52)C6=CC=CC=C36)C(=O)NC4=O","GMFCWRQRTCJBIZ-FOCLMDBBSA-N","155815757",NA,"PDBC10274","803357","Present"
-"1-[(E)-3-(4-Fluorophenyl)-3-oxoprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","","","","","","","","","","","","","","","","","","","9-(E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl)-9,10-dihyd...","","C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=CC(=O)C6=CC=C(C=C6)F)C(=O)NC4=O","HJVQKUVOSBNWJB-BUHFOSPRSA-N","155809548",NA,"PDBC10275","803358","Present"
-"1-[(E)-3-(Furan-2-yl)-3-oxoprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","","","","","","","","","","","","","","","","","","","9-(E)-3-(furan-2-yl)-3-oxoprop-1-en-1-yl)-9,10-dihydro-9...","","C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=CC(=O)C6=CC=CO6)C(=O)NC4=O","ACRQIUDFTUKMDP-VAWYXSNFSA-N","155814260",NA,"PDBC10276","803361","Present"
-"1-[(E)-3-Bromoallyl]-3-(1,2,3,4-tetrahydroquinolin-4-yl)urea","","","","","","","","","","","","","","","","","","","","1-[(E)-3-Bromoallyl]-3-(1,2,3,4-tetrahydroquinolin-4-yl)urea","","C1CNC2=CC=CC=C2C1NC(=O)NCC=CBr","DMWCISDXUFPTJO-XVNBXDOJSA-N","6294911",NA,"PDBC10277","664966","Present"
-"1-[(E)-3-Oxo-3-pyridin-2-ylprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","","","","","","","","","","","","","","","","","","","9-(E)-3-oxo-3-(pyridin-2-yl)prop-1-en-1-yl)-9,10-dihydro...","","C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=CC(=O)C6=CC=CC=N6)C(=O)NC4=O","KZKBGXMAGAVNSI-OUKQBFOZSA-N","155809550",NA,"PDBC10278","803355","Present"
-"1-[(E)-3-Oxo-3-pyridin-4-ylprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","","","","","","","","","","","","","","","","","","","9-(E)-3-oxo-3-(pyridin-4-yl)prop-1-en-1-yl)-9,10-dihydro...","","C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=CC(=O)C6=CC=NC=C6)C(=O)NC4=O","RMZRTHRMFYNNDV-FMIVXFBMSA-N","155815758",NA,"PDBC10279","803363","Present"
-"1-[(E)-3-Phenylprop-2-enoxy]piperidine-3,4,5-triol","","","","","","","","","","","","","","","","","","","","1-[(E)-3-Phenylprop-2-enoxy]piperidine-3,4,5-triol","","C1C(C(C(CN1OCC=CC2=CC=CC=C2)O)O)O","PTMZDVVIWWFPQK-QPJJXVBHSA-N","5467384",NA,"PDBC10280","651812","Present"
-"1-[(E)-3-Trimethylsilylprop-2-enyl]pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-[(E)-3-Trimethylsilylprop-2-enyl]pyrrolidine-2,5-dione","","C[Si](C)(C)C=CCN1C(=O)CCC1=O","APEUQBNZTRXREU-XBXARRHUSA-N","5386738",NA,"PDBC10281","617379","Present"
-"1-[(E)-Benzylideneamino]-3-(2-phenylchroman-4-yl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-Benzylideneamino]-3-(2-phenylchroman-4-yl)thiourea","","C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)NC(=S)NN=CC4=CC=CC=C4","SUZFIXDOJRIJQR-LFVJCYFKSA-N","9569902",NA,"PDBC10282","623626","Present"
-"1-[(E)-Furan-2-ylmethylideneamino]-3-(2-methoxy-5-methylphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(E)-Furan-2-ylmethylideneamino]-3-(2-methoxy-5-methylphenyl)thiourea","","CC1=CC(=C(C=C1)OC)NC(=S)NN=CC2=CC=CO2","PIBRNLZLSMHZDL-OQLLNIDSSA-N","9572441",NA,"PDBC10283","716182","Present"
-"1-[(E)-[2-Chloro-6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine","","","","","","","","","","","","","","","","","","","","1-[(E)-[2-Chloro-6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine","","C1=CC(=CC=C1C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N)Cl.Cl","CVBNMKAMTNOTLK-RZFZGDDESA-N","9572070",NA,"PDBC10284","698274","Present"
-"1-[(E)-[3-(3,6-Dioxo-1H-pyridazin-2-yl)-1-methyl-propylidene]amino]guanidine","","","","","","","","","","","","","","","","","","","","1-[(E)-[3-(3,6-Dioxo-1H-pyridazin-2-yl)-1-methyl-propylidene]amino]guanidine","","CC(=NN=C(N)N)CCN1C(=O)C=CC(=O)N1","MZKAJJOOGPKICS-WUXMJOGZSA-N","9570025",NA,"PDBC10285","633914","Present"
-"1-[(E)-[4-(Aziridin-1-yl)-4-methylpentan-2-ylidene]amino]-3-naphthalen-1-ylurea","","","","","","","","","","","","","","","","","","","","1-[(E)-[4-(Aziridin-1-yl)-4-methylpentan-2-ylidene]amino]-3-naphthalen-1-ylurea","","CC(=NNC(=O)NC1=CC=CC2=CC=CC=C21)CC(C)(C)N3CC3","DSMKQBURCDVYOU-KGENOOAVSA-N","9568374",NA,"PDBC10286","101248","Present"
-"1-[(E)-[6-(4-Chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine","","","","","","","","","","","","","","","","","","","","1-[(E)-[6-(4-Chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine","","C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)Cl.Cl","RRBLPFFNLBRCCZ-VYYXIRCESA-N","9571912",NA,"PDBC10287","670876","Present"
-"1-[(E)-styryl]-9H-beta-carboline","","","","","","","","","","","","","","","","","","","","1-[(E)-styryl]-9H-beta-carboline","","C1=CC=C(C=C1)C=CC2=NC=CC3=C2NC4=CC=CC=C34","WUOUVVQREBRKTE-ZHACJKMWSA-N","5382687",NA,"PDBC10288","149849","Present"
-"1-[(N-Acetylanilino)methyl]-5-oxopyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-[(N-Acetylanilino)methyl]-5-oxopyrrolidine-2-carboxylic acid","","CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC=CC=C2","MRXQPMGMSNXFDV-UHFFFAOYSA-N","389172",NA,"PDBC10289","684856","Present"
-"1-[(Trimethylsilyl)methyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","1-[(Trimethylsilyl)methyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole","","COC1=CC=C(C=C1)C2=C(N(C=N2)C[Si](C)(C)C)C3=CC=C(C=C3)OC","UTVVFZUUMJWAHR-UHFFFAOYSA-N","400616",NA,"PDBC10290","712738","Present"
-"1-[(Z)-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3-[2-[[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]carbamothioylamino]ethyl]thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3-[2-[[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]carbamothioylamino]ethyl]thiourea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NCCNC(=S)NN=CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C","TWOGXMWHEAYFQS-KUUUIRGPSA-N","6142547",NA,"PDBC10291","701206","Present"
-"1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea","","C1=CC=C2C(=C1)C(=C(C(=O)N2)C=NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)O","AWCWWUMOUJHBDD-DJKKODMXSA-N","135409072",NA,"PDBC10292","657582","Present"
-"1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-octadecyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-octadecyl-thiourea","","CCCCCCCCCCCCCCCCCCNC(=S)N=CC1=C(C2=CC=CC=C2NC1=O)O","DYRFZZYFMPWWJR-UQRQXUALSA-N","135409089",NA,"PDBC10293","657701","Present"
-"1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-phenethyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-phenethyl-thiourea","","C1=CC=C(C=C1)CCNC(=S)N=CC2=C(C3=CC=CC=C3NC2=O)O","DZEUORIVZQLDFD-CIAFOILYSA-N","135409094",NA,"PDBC10294","657711","Present"
-"1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-propyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-propyl-thiourea","","CCCNC(=S)N=CC1=C(C2=CC=CC=C2NC1=O)O","ZAYPNYHROMOTQA-LZYBPNLTSA-N","135409080",NA,"PDBC10295","657596","Present"
-"1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)O","LCHIJPFYWULQMD-DJKKODMXSA-N","135409083",NA,"PDBC10296","657604","Present"
-"1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-octyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-octyl-thiourea","","CCCCCCCCNC(=S)N=CC1=C(C2=CC=CC=C2OC1=O)O","PSDGCDZXUQSNQJ-FYJGNVAPSA-N","135409064",NA,"PDBC10297","657461","Present"
-"1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-phenethyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-phenethyl-thiourea","","C1=CC=C(C=C1)CCNC(=S)N=CC2=C(C3=CC=CC=C3OC2=O)O","WWUVGSSZLRFGQL-CIAFOILYSA-N","135409098",NA,"PDBC10298","657716","Present"
-"1-[(Z)-(2-Hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2-Hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea","","C1=CC=C(C(=C1)C=NNC(=S)NN=CC2=CC=CC=C2O)O","IPCADHRTCDSGLW-ZAGBYUSBSA-N","135408564",NA,"PDBC10299","50827","Present"
-"1-[(Z)-(2-Methoxyphenyl)methylideneamino]-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2-Methoxyphenyl)methylideneamino]-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine","","COC1=CC=CC=C1C=NNC(=NN=CC2=CC=CC=C2OC)N","IENIGYDXVJYENX-UHWBUFEVSA-N","54601314",NA,"PDBC10300","69413","Present"
-"1-[(Z)-(2-Nitrophenyl)methylideneamino]-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2-Nitrophenyl)methylideneamino]-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea","","C1=CC=C(C(=C1)C=NNC(=S)NN=CC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]","MSEWEKWTCRFOSN-ZAGBYUSBSA-N","54601410",NA,"PDBC10301","51361","Present"
-"1-[(Z)-(2-Oxoindolin-3-ylidene)amino]-3-(2-pyridylmethyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(2-Oxoindolin-3-ylidene)amino]-3-(2-pyridylmethyl)thiourea","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NCC3=CC=CC=N3","FUTJYDAPPGEYIK-UHFFFAOYSA-N","3005083",NA,"PDBC10302","670961","Present"
-"1-[(Z)-(3-Ethoxy-4-hydroxyphenyl)methylideneamino]-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(3-Ethoxy-4-hydroxyphenyl)methylideneamino]-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea","","CCOC1=C(C=CC(=C1)C=NNC(=O)NN=CC2=CC(=C(C=C2)O)OCC)O","RPHOHFJYJKFTJR-WELBJSHPSA-N","135408532",NA,"PDBC10303","48241","Present"
-"1-[(Z)-(4-Chlorophenyl)methylideneamino]-3-(6-methoxynaphthalen-2-yl)urea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(4-Chlorophenyl)methylideneamino]-3-(6-methoxynaphthalen-2-yl)urea","","COC1=CC2=C(C=C1)C=C(C=C2)NC(=O)NN=CC3=CC=C(C=C3)Cl","HKDNBRRQHJXWPY-MTJSOVHGSA-N","6151085",NA,"PDBC10304","690272","Present"
-"1-[(Z)-(4-Chlorophenyl)methylideneamino]-3-naphthalen-2-ylurea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(4-Chlorophenyl)methylideneamino]-3-naphthalen-2-ylurea","","C1=CC=C2C=C(C=CC2=C1)NC(=O)NN=CC3=CC=C(C=C3)Cl","OYKDNSMVNVJCDW-NDENLUEZSA-N","6310234",NA,"PDBC10305","689298","Present"
-"1-[(Z)-(4-Methoxyphenyl)methylideneamino]-3-naphthalen-1-ylurea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(4-Methoxyphenyl)methylideneamino]-3-naphthalen-1-ylurea","","COC1=CC=C(C=C1)C=NNC(=O)NC2=CC=CC3=CC=CC=C32","HAMQKADPBGABCI-MOSHPQCFSA-N","5914027",NA,"PDBC10306","680934","Present"
-"1-[(Z)-(4-Nitrophenyl)methylideneamino]-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(4-Nitrophenyl)methylideneamino]-3-phenylurea","","C1=CC=C(C=C1)NC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-]","BZJITMQJXFAJGL-GDNBJRDFSA-N","5405594",NA,"PDBC10307","671924","Present"
-"1-[(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)amino]-3-cyclohexyl-2-sulfanylideneimidazolidine-4,5-dione","","","","","","","","","","","","","","","","","","","","1-[(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)amino]-3-cyclohexyl-2-sulfanylideneimidazolidine-4,5-dione","","C1CCC(CC1)N2C(=O)C(=O)N(C2=S)N=C3C4=C(C=CC(=C4)Br)NC3=O","FHQBNVOBEHKWDQ-UHFFFAOYSA-N","135436324",NA,"PDBC10308","718639","Present"
-"1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]thiourea","","C1=CC(=C(C=C1Cl)C=NNC(=S)NN=CC2=C(C=CC(=C2)Cl)O)O","DJCOGVNAADFKNZ-CLLFQMGYSA-N","135460243",NA,"PDBC10309","65022","Present"
-"1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea","","C1=CC(=C(C=C1Cl)C=NNC(=O)NN=CC2=C(C=CC(=C2)Cl)O)O","GVQSCQWJYFUCAD-CLLFQMGYSA-N","135408530",NA,"PDBC10310","48238","Present"
-"1-[(Z)-(5-Nitro-2-oxo-indolin-3-ylidene)amino]-3-(4-nitrophenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(5-Nitro-2-oxo-indolin-3-ylidene)amino]-3-(4-nitrophenyl)thiourea","","C1=CC(=CC=C1NC(=S)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]","MECOSHDPJQGRRM-UHFFFAOYSA-N","135426762",NA,"PDBC10311","716767","Present"
-"1-[(Z)-(5-Nitronaphthalen-1-yl)methylideneamino]-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(5-Nitronaphthalen-1-yl)methylideneamino]-3-phenylurea","","C1=CC=C(C=C1)NC(=O)NN=CC2=C3C=CC=C(C3=CC=C2)[N+](=O)[O-]","ZFGLIRPADFHFKT-UNOMPAQXSA-N","5899596",NA,"PDBC10312","674491","Present"
-"1-[(Z)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-(4-nitrophenyl)urea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-(4-nitrophenyl)urea","","COC1=CC2=C(C=C1)C=C(C=C2)C=NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","HMCWMTOYAJPJEO-NDENLUEZSA-N","6284858",NA,"PDBC10313","691666","Present"
-"1-[(Z)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-naphthalen-1-ylurea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-naphthalen-1-ylurea","","COC1=CC2=C(C=C1)C=C(C=C2)C=NNC(=O)NC3=CC=CC4=CC=CC=C43","RGTUQRHEAZXGGG-IWIPYMOSSA-N","6277120",NA,"PDBC10314","680932","Present"
-"1-[(Z)-(6-Methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea","","","","","","","","","","","","","","","","","","","","4-(((((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)amino)carbothioyl)amino)benzenesulfonamide","","CC1=CC(=C(C(=O)O1)C=NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)O","LAJPNUWCFKHTKY-FRKPEAEDSA-N","135409088",NA,"PDBC10315","657700","Present"
-"1-[(Z)-(6-Methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-phenethyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(6-Methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-phenethyl-thiourea","","CC1=CC(=C(C(=O)O1)C=NC(=S)NCCC2=CC=CC=C2)O","KWVOUYFVVRFRFT-VCHYOVAHSA-N","135409070",NA,"PDBC10316","657579","Present"
-"1-[(Z)-(6-Methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-propyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-(6-Methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-propyl-thiourea","","CCCNC(=S)N=CC1=C(C=C(OC1=O)C)O","PEIPTUBALWLWPC-AWNIVKPZSA-N","135409092",NA,"PDBC10317","657707","Present"
-"1-[(Z)-1,2-Bis(4-methoxyphenyl)-2-[[(Z)-1-(methoxycarbonyl)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 1-[(Z)-2-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-1,2-bis(4-methoxyphenyl)ethenyl]pyrazole-3,4-dicarboxylate","","COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)SC(=CC(=O)OC)C(=O)OC)N3C=C(C(=N3)C(=O)OC)C(=O)OC","RNPBXJBSLXLIHG-GZAOZUBMSA-N","5471659",NA,"PDBC10318","712735","Present"
-"1-[(Z)-1,2-Diphenyl-2-[[(Z)-1-(methoxycarbonyl)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 1-[(Z)-2-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-1,2-diphenylethenyl]pyrazole-3,4-dicarboxylate","","COC(=O)C=C(C(=O)OC)SC(=C(C1=CC=CC=C1)N2C=C(C(=N2)C(=O)OC)C(=O)OC)C3=CC=CC=C3","DRHTUWHJTFSAER-MONBMGCGSA-N","5471657",NA,"PDBC10319","712733","Present"
-"1-[(Z)-1,2-Diphenyl-2-[[(Z)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 1-[(Z)-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-1,2-diphenylethenyl]pyrazole-3-carboxylate","","COC(=O)C=CSC(=C(C1=CC=CC=C1)N2C=CC(=N2)C(=O)OC)C3=CC=CC=C3","MLUSCGLGARAUJY-VJSMIHFMSA-N","5471658",NA,"PDBC10320","712734","Present"
-"1-[(Z)-1-Chloro-2-[4-[(Z)-2-chloro-2-(2,4-dinitrophenyl)vinyl]phenyl]vinyl]-2,4-dinitro-benzene","","","","","","","","","","","","","","","","","","","","1-[(Z)-1-Chloro-2-[4-[(Z)-2-chloro-2-(2,4-dinitrophenyl)vinyl]phenyl]vinyl]-2,4-dinitro-benzene","","C1=CC(=CC=C1C=C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)C=C(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl","QMZVNISRQXPNKX-QJUDHZBZSA-N","5388495",NA,"PDBC10321","636510","Present"
-"1-[(Z)-1-Pyrazin-2-ylethylideneamino]-3-[2-(2-pyridyl)ethyl]thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-1-Pyrazin-2-ylethylideneamino]-3-[2-(2-pyridyl)ethyl]thiourea","","CC(=NNC(=S)NCCC1=CC=CC=N1)C2=NC=CN=C2","SLUJSCHZLNPQJR-ODLFYWEKSA-N","5903816",NA,"PDBC10322","689536","Present"
-"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(2-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(2-methylphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(2-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(2-methylphenyl)thiourea","","CC1=CC=CC=C1NC(=S)NN=C(C)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=CC=C3C)C","AZAAMQZQWONCRQ-XLRODDBQSA-N","6172220",NA,"PDBC10323","668490","Present"
-"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(3-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(3-methylphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(3-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(3-methylphenyl)thiourea","","CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=CC(=C3)C)C","RXCAJJOZDOBUMR-XLRODDBQSA-N","6373421",NA,"PDBC10324","668489","Present"
-"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(4-methylphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(4-methylphenyl)thiourea","","CC1=CC=C(C=C1)NC(=S)NN=C(C)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=C(C=C3)C)C","MZPSYWIZPCZIKD-XLRODDBQSA-N","6371881",NA,"PDBC10325","668488","Present"
-"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(4-nitrophenyl)carbamothioylamino]carbonimidoyl]-2-pyridyl]ethylideneamino]-3-(4-nitrophenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(4-nitrophenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(4-nitrophenyl)thiourea","","CC(=NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C","AENSFOUNUJQZIA-DTTYEBRZSA-N","11979444",NA,"PDBC10326","668487","Present"
-"1-[(Z)-2,3-Dibromoallyl]-3-(1-naphthyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[(Z)-2,3-Dibromoallyl]-3-(1-naphthyl)thiourea","","C1=CC=C2C(=C1)C=CC=C2NC(=S)NCC(=CBr)Br","AZIZQHJEOVVYBO-FLIBITNWSA-N","5916271",NA,"PDBC10327","665681","Present"
-"1-[(Z)-2,3-Dichloroallyl]-3-tetralin-5-yl-urea","","","","","","","","","","","","","","","","","","","","1-[(Z)-2,3-Dichloroallyl]-3-tetralin-5-yl-urea","","C1CCC2=C(C1)C=CC=C2NC(=O)NCC(=CCl)Cl","PPRWSTOZNNTELC-FLIBITNWSA-N","6280329",NA,"PDBC10328","664964","Present"
-"1-[(Z)-2-Diethoxyphosphorylvinyl]-5-methyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(Z)-2-Diethoxyphosphorylvinyl]-5-methyl-pyrimidine-2,4-dione","","CCOP(=O)(C=CN1C=C(C(=O)NC1=O)C)OCC","UXLGYEMCEQNJGM-SREVYHEPSA-N","5470772",NA,"PDBC10329","704892","Present"
-"1-[(Z)-2-Diethoxyphosphorylvinyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[(Z)-2-Diethoxyphosphorylvinyl]pyrimidine-2,4-dione","","CCOP(=O)(C=CN1C=CC(=O)NC1=O)OCC","RRXIPCLAHYKRSU-FPLPWBNLSA-N","5470770",NA,"PDBC10330","704890","Present"
-"1-[(Z)-5-Trimethylsilylpent-4-enyl]pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-[(Z)-5-Trimethylsilylpent-4-enyl]pyrrolidine-2,5-dione","","C[Si](C)(C)C=CCCCN1C(=O)CCC1=O","WBXGSXIRGMRUKA-POHAHGRESA-N","5386730",NA,"PDBC10331","617371","Present"
-"1-[(Z)-Benzylideneamino]-2-[(E)-benzylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","1-[(Z)-Benzylideneamino]-2-[(E)-benzylideneamino]guanidine","","C1=CC=C(C=C1)C=NNC(=NN=CC2=CC=CC=C2)N","ZWLXITGRGUNARS-MJZABRMRSA-N","54602470",NA,"PDBC10332","68154","Present"
-"1-[(Z)-Naphthalen-1-ylmethylideneamino]-3-(4-nitrophenyl)urea","","","","","","","","","","","","","","","","","","","","1-[(Z)-Naphthalen-1-ylmethylideneamino]-3-(4-nitrophenyl)urea","","C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","CCMCAPDCEKQGPS-UNOMPAQXSA-N","6078767",NA,"PDBC10333","691664","Present"
-"1-[(Z)-Naphthalen-2-ylmethylideneamino]-3-(4-nitrophenyl)urea","","","","","","","","","","","","","","","","","","","","1-[(Z)-Naphthalen-2-ylmethylideneamino]-3-(4-nitrophenyl)urea","","C1=CC=C2C=C(C=CC2=C1)C=NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","GIMIOKCHAJQOGI-UNOMPAQXSA-N","6279232",NA,"PDBC10334","691665","Present"
-"1-[(Z)-[1,2-Bis(4-methoxyphenyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]guanidine","","","","","","","","","","","","","","","","","","","","1-[(Z)-[1,2-Bis(4-methoxyphenyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]guanidine","","COC1=CC=C(C=C1)C(C2C3=CC=CC=C3C(=O)O2)C(=NN=C(N)N)C4=CC=C(C=C4)OC","SCDHEMCYZBPAHK-XAYXJRQQSA-N","9571298",NA,"PDBC10335","641815","Present"
-"1-[(Z)-[1-(2-Naphthyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]guanidine","","","","","","","","","","","","","","","","","","","","1-[(Z)-[1-(2-Naphthyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]guanidine","","C1=CC=C2C=C(C=CC2=C1)C(=NN=C(N)N)CC3C4=CC=CC=C4C(=O)O3","ICLIXDCBELVJFF-MOHJPFBDSA-N","9571325",NA,"PDBC10336","642635","Present"
-"1-[(Z)-[4-(Dimethylamino)phenyl]methylideneamino]-3-naphthalen-1-ylurea","","","","","","","","","","","","","","","","","","","","1-[(Z)-[4-(Dimethylamino)phenyl]methylideneamino]-3-naphthalen-1-ylurea","","CN(C)C1=CC=C(C=C1)C=NNC(=O)NC2=CC=CC3=CC=CC=C32","LLDLVXDEARUDBL-STZFKDTASA-N","5911253",NA,"PDBC10337","680930","Present"
-"1-[(t-Butyloxy)carbonyl]-3-(chloromethyl)-6-hydroxy-indoline","","","","","","","","","","","","","","","","","","","","1-[(t-Butyloxy)carbonyl]-3-(chloromethyl)-6-hydroxy-indo...","","CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)O)CCl","STIVAFOWPKOPJD-UHFFFAOYSA-N","385366",NA,"PDBC10338","676516","Present"
-"1-[1,1-Bis(4-phenylmethoxyphenyl)but-1-en-2-yl]-4-methoxybenzene","","","","","","","","","","","","","","","","","","","","1,1'-[2-(4-Methoxyphenyl)but-1-ene-1,1-diyl]bis[4-(benzyloxy)benzene]","","CCC(=C(C1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)OC","ULGLFCVWSSBSSC-UHFFFAOYSA-N","370883",NA,"PDBC10339","644618","Present"
-"1-[1,2-Dichloro-2-[4-[1,2-dichloro-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitro-benzene","","","","","","","","","","","","","","","","","","","","1-[1,2-Dichloro-2-[4-[1,2-dichloro-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitro-benzene","","C1=CC(=CC=C1C(C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)Cl)C(C(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl)Cl","LYNBJUDBJRYFET-UHFFFAOYSA-N","367124",NA,"PDBC10340","636511","Present"
-"1-[1,3-Bis(phenylmethoxy)propan-2-yloxymethyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-({[1,3-Bis(benzyloxy)propan-2-yl]oxy}methyl)pyrimidine-2,4(1H,3H)-dione","","C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OCN3C=CC(=O)NC3=O","LWCIVTIGXVBGHL-UHFFFAOYSA-N","363046",NA,"PDBC10341","627592","Present"
-"1-[1,4,4-Tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole","","","","","","","","","","","","","","","","","","","","1-[1,4,4-Tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole","","C1=CC=C2C(=C1)N=NN2C(=CC(=C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5)[N+](=O)[O-])N7C8=CC=CC=C8N=N7","KLKSOLOBRLDNPS-UHFFFAOYSA-N","379905",NA,"PDBC10342","665097","Present"
-"1-[1,4-Dioxo-3-(p-tolylsulfonylamino)tetralin-2-yl]pyridin-1-ium-3-carboxamide","","","","","","","","","","","","","","","","","","","","1-[1,4-Dioxo-3-(p-tolylsulfonylamino)tetralin-2-yl]pyridin-1-ium-3-carboxamide","","CC1=CC=C(C=C1)S(=O)(=O)[N-]C2C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC(=C4)C(=O)N","KYNMTJIRTDVXSF-UHFFFAOYSA-N","389576",NA,"PDBC10343","685882","Present"
-"1-[1,5-Dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]-N,N-bis[[1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl]methanamine","","","","","","","","","","","","","","","","","","","","[1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxat...","","CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)CN(CC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F)CC9=C(OC1C23C9CCC(C2CCC(O1)(OO3)C)C)C(F)(F)F","BORNDRGGNPYKQJ-UHFFFAOYSA-N","406570",NA,"PDBC10344","724783","Present"
-"1-[1-(1-Benzothiophen-2-yl)cycloheptyl]piperidine;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-[1-(1-Benzothiophen-2-yl)cycloheptyl]piperidine;(E)-but-2-enedioic acid","","C1CCCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4.C(=CC(=O)O)C(=O)O","HOYGPGFKMLCXGD-WLHGVMLRSA-N","5471072",NA,"PDBC10345","708087","Present"
-"1-[1-(1-Benzothiophen-2-yl)cycloheptyl]pyrrolidine;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-[1-(1-Benzothiophen-2-yl)cycloheptyl]pyrrolidine;(E)-but-2-enedioic acid","","C1CCCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCC4.C(=CC(=O)O)C(=O)O","IKHKCZMAFYHWCD-WLHGVMLRSA-N","5471071",NA,"PDBC10346","708086","Present"
-"1-[1-(1-Benzothiophen-2-yl)cyclohexyl]azepane;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-[1-(1-Benzothiophen-2-yl)cyclohexyl]azepane;(E)-but-2-enedioic acid","","C1CCCN(CC1)C2(CCCCC2)C3=CC4=CC=CC=C4S3.C(=CC(=O)O)C(=O)O","NFFWYTSCCOJAAQ-WLHGVMLRSA-N","5471070",NA,"PDBC10347","708085","Present"
-"1-[1-(1-Benzothiophen-2-yl)cyclopentyl]piperidine;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-[1-(1-Benzothiophen-2-yl)cyclopentyl]piperidine;(E)-but-2-enedioic acid","","C1CCN(CC1)C2(CCCC2)C3=CC4=CC=CC=C4S3.C(=CC(=O)O)C(=O)O","NHMDEELDYWHEEQ-WLHGVMLRSA-N","5471077",NA,"PDBC10348","708123","Present"
-"1-[1-(1H-Pyrrole-2-yl)ethylidene]thiosemicarbazide","","","","","","","","","","","","","","","","","","","","NSC18360","","CC(=NNC(=S)N)C1=CC=CN1","YYZCEOGYVYXDPC-YHYXMXQVSA-N","135431246",NA,"PDBC10349","18360","Present"
-"1-[1-(2-Hydroxyethoxy)-2-phenyl-ethyl]-5-methyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[1-(2-Hydroxyethoxy)-2-phenyl-ethyl]-5-methyl-pyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C(CC2=CC=CC=C2)OCCO","PILRPCHPBWYLFZ-UHFFFAOYSA-N","395837",NA,"PDBC10350","700840","Present"
-"1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone","","CCCCCC(=C)CN1CCCC1C(=O)C","XFZPNEAFCLCOJB-UHFFFAOYSA-N","357791",NA,"PDBC10351","617318","Present"
-"1-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone","","CCC1=C(N(N=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC)C(=O)C)C","CLJPSMAKAGRZBN-UHFFFAOYSA-N","343249",NA,"PDBC10352","382585","Present"
-"1-[1-(4-Chlorophenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone","","","","","","","","","","","","","","","","","","","","1-[1-(4-Chlorophenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone","","CC1=C(C(=CN1C2=CC=C(C=C2)Cl)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(F)(F)F","NDSHIKMDMQDNOW-UHFFFAOYSA-N","45027963",NA,"PDBC10353","740354","Present"
-"1-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazolidine-3,5-dione","","C1C(=O)NN(C1=O)C(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl","APMGJGAIIAZKFY-UHFFFAOYSA-N","46884877",NA,"PDBC10354","748381","Present"
-"1-[1-(4-Fluorophenyl)-5-pentylpyrrolidin-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[1-(4-Fluorophenyl)-5-pentylpyrrolidin-3-yl]ethanone","","CCCCCC1CC(CN1C2=CC=C(C=C2)F)C(=O)C","ZWJWTZRKDXRPPE-UHFFFAOYSA-N","358979",NA,"PDBC10355","619175","Present"
-"1-[1-(5-Bromo-4-nitrothiophen-2-yl)cyclohexyl]piperidine;hydrochloride","","","","","","","","","","","","","","","","","","","","Piperidine, 1-[1-(5-bromo-4-nitro-2-thienyl)-1-cyclohexy...","","C1CCC(CC1)(C2=CC(=C(S2)Br)[N+](=O)[O-])N3CCCCC3.Cl","RZFYMHYGQIDVCA-UHFFFAOYSA-N","398716",NA,"PDBC10356","708859","Present"
-"1-[1-(5-Bromothiophen-2-yl)cyclohexyl]piperidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[1-(5-Bromo-2-thienyl)cyclohexyl]piperidine hydrochloride","","C1CCC(CC1)(C2=CC=C(S2)Br)N3CCCCC3.Cl","SCDNIQNQKYYBMY-UHFFFAOYSA-N","398714",NA,"PDBC10357","708858","Present"
-"1-[1-(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-[[6-(1-hydroxy-2-piperidin-1-ylethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]ethyl]-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-[1-(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-[[6-(1-hydroxy-2-piperidin-1-ylethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]ethyl]-3-phenylu","","CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C(CN5CCCCC5)O)OC(O4)(C)C)NC(=O)NC6=CC=CC=C6)OC(O2)(C)C","AKTGPUOZBYDHQZ-UHFFFAOYSA-N","45028443",NA,"PDBC10358","742857","Present"
-"1-[1-(Diethoxymethyl)propylselanyl]-2-nitro-benzene","","","","","","","","","","","","","","","","","","","","1-[(1,1-Diethoxybutan-2-yl)selanyl]-2-nitrobenzene","","CCC(C(OCC)OCC)[Se]C1=CC=CC=C1[N+](=O)[O-]","KTHWBZRYNKIWOQ-UHFFFAOYSA-N","371757",NA,"PDBC10359","646200","Present"
-"1-[1-(Diethylamino)propan-2-ylamino]-4-methylthioxanthen-9-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Thioxanthen-9-one, 1-(2-diethylamino-1-methylethylamino)...","","CCN(CC)CC(C)NC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl","WNNPLIGHJGEKBR-UHFFFAOYSA-N","21144191",NA,"PDBC10360","38110","Present"
-"1-[1-[2-(1H-Indol-3-yl)ethyl]-5-methoxypyridin-1-ium-3-yl]ethanol;bromide","","","","","","","","","","","","","","","","","","","","3-(1-Hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]-5-methoxypyridinium bromide","","CC(C1=CC(=C[N+](=C1)CCC2=CNC3=CC=CC=C32)OC)O.[Br-]","XPOXDHFMVNDIRU-UHFFFAOYSA-M","372084",NA,"PDBC10361","646963","Present"
-"1-[1-[2-(2,3-Dihydro-1H-indol-3-yl)ethyl]-5-methoxypyridin-1-ium-3-yl]ethanol;bromide","","","","","","","","","","","","","","","","","","","","1-[2-(2,3-Dihydro-1H-indol-3-yl)ethyl]-3-(1-hydroxyethyl)-5-methoxypyridinium bromide","","CC(C1=CC(=C[N+](=C1)CCC2CNC3=CC=CC=C23)OC)O.[Br-]","PPNAWISQOZPBFD-UHFFFAOYSA-M","372092",NA,"PDBC10362","646968","Present"
-"1-[1-[Ethyl(2-hydroxyethyl)amino]propan-2-ylamino]-4-nitrothioxanthen-9-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Thioxanthen-9-one, 1-[[2-[ethyl(2-hydroxyethyl)amino]-1-...","","CCN(CCO)CC(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.Cl","SEYOKBGFWOGXBT-UHFFFAOYSA-N","21144228",NA,"PDBC10363","52936","Present"
-"1-[10-(4,6-Dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-1-yl)-10-oxo-decanoyl]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","1-[10-(4,6-Dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)-10-oxodecanoyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione","","C1C(=O)N(C(=S)N(C1=O)C(=O)CCCCCCCCC(=O)N2C(=O)CC(=O)N(C2=S)C3=CC=CC=C3)C4=CC=CC=C4","KJPOWWWJTQGZBN-UHFFFAOYSA-N","395651",NA,"PDBC10364","700433","Present"
-"1-[10-(5-Carbamimidoyl-2,4-dioxo-hexahydropyrimidin-1-yl)decyl]-2,4-dioxo-hexahydropyrimidine-5-carboxamidine","","","","","","","","","","","","","","","","","","","","1-[10-(5-Carbamimidoyl-2,4-dioxo-1,3-diazinan-1-yl)decyl]-2,4-dioxo-1,3-diazinane-5-carboximidamide","","C1C(C(=O)NC(=O)N1CCCCCCCCCCN2CC(C(=O)NC2=O)C(=N)N)C(=N)N","PFIHAPIECMJACH-UHFFFAOYSA-N","379069",NA,"PDBC10365","663244","Present"
-"1-[10-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl]-9H-acridin-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[10-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl]-9H-acridin-3-yl]ethanone","","CC(=O)C1=CC2=C(CC3=CC=CC=C3N2CCCN4CCN(CC4)CCO)C=C1","OWKRYFAFKQFHCE-UHFFFAOYSA-N","398340",NA,"PDBC10366","708060","Present"
-"1-[10-[4-(Dimethylamino)-2-methylquinolin-1-ium-1-yl]decyl]-N,N,2-trimethylquinolin-1-ium-4-amine;perchlorate","","","","","","","","","","","","","","","","","","","","Quinolinium, 1,1'-(1,10-decanediyl)bis[4-(dimethylamino)...","","CC1=[N+](C2=CC=CC=C2C(=C1)N(C)C)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N(C)C)C.[O-]Cl(=O)(=O)=O","SMAYEIXANKBOES-UHFFFAOYSA-M","387883",NA,"PDBC10367","682095","Present"
-"1-[10-[[1-[10-(4-Amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-yl]amino]decyl]-2-methylquinolin-1-ium-4-amine;iodide","","","","","","","","","","","","","","","","","","","","1-[10-[[1-[10-(4-Amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-yl]amino]decyl]-2-methylquinolin-1-ium-4-amine;iodide","","CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CCCCCCCCCC[N+]5=C(C=C(C6=CC=CC=C65)N)C)C.[I-]","VFWWIQIGFZFVPZ-UHFFFAOYSA-P","387887",NA,"PDBC10368","682097","Present"
-"1-[11-(3-Bromophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[11-(3-Bromophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone","","CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC(=CC=C5)Br)C(=O)C","XMSAFJLUMOZSFM-UHFFFAOYSA-N","388256",NA,"PDBC10369","682867","Present"
-"1-[11-(4-Fluorophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[11-(4-Fluorophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone","","CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC=C(C=C5)F)C(=O)C","UFIZMYKTTQBBRM-UHFFFAOYSA-N","388258",NA,"PDBC10370","682869","Present"
-"1-[11-(4-Methoxyphenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[11-(4-Methoxyphenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone","","CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC=C(C=C5)OC)C(=O)C","SEKSEGCZJSHSEM-UHFFFAOYSA-N","388257",NA,"PDBC10371","682868","Present"
-"1-[11-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,14-dimethylpentadecan-5-yl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[11-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,14-dimethylpentadecan-5-yl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride","","CC(C)CCC(CCCCCC(CCC(C)C)C1C2=CC(=C(C=C2CCN1)OC)OC)C3C4=CC(=C(C=C4CCN3)OC)OC.Cl","ZIBIEOIBTBERJS-UHFFFAOYSA-N","24183466",NA,"PDBC10372","27416","Present"
-"1-[12-(3-Formylindol-1-yl)dodecyl]indole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","1-[12-(3-Formylindol-1-yl)dodecyl]indole-3-carbaldehyde","","C1=CC=C2C(=C1)C(=CN2CCCCCCCCCCCCN3C=C(C4=CC=CC=C43)C=O)C=O","ISCYKAGOPIKQFI-UHFFFAOYSA-N","381742",NA,"PDBC10373","668602","Present"
-"1-[13-Methyl-11-(3,4,5-trimethoxyphenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[13-Methyl-11-(3,4,5-trimethoxyphenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone","","CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C","LUJZWKDTQHREOR-UHFFFAOYSA-N","388259",NA,"PDBC10374","682870","Present"
-"1-[1alpha-(Benzo[b]thiophen-2-yl)-4beta-isothiocyanatocyclohexyl]piperidine","","","","","","","","","","","","","","","","","","","","1-[1-(Benzothiophen-2-yl)-4-isothiocyanato-cyclohexyl]piperidine","","C1CCN(CC1)C2(CCC(CC2)N=C=S)C3=CC4=CC=CC=C4S3","OHYWQCRPXXLZMZ-UHFFFAOYSA-N","398383",NA,"PDBC10375","708096","Present"
-"1-[2'-Deoxy-beta-D-ribo-furanosyl]-5-amino-pyrrolo[2,3-f]-quinazoline","","","","","","","","","","","","","","","","","","","","1-[2'-Deoxy-.beta.-D-ribo-furanosyl]-5-amino-pyrrolo[2,3...","","C1C(C(OC1N2C=CC3=C2C=CC4=CN=C(N=C43)N)CO)O","LUGRUDZVOVYBFE-UHFFFAOYSA-N","24205391",NA,"PDBC10376","735359","Present"
-"1-[2,2-Bis(4-phenylmethoxyphenyl)ethenyl]-4-methoxybenzene","","","","","","","","","","","","","","","","","","","","1,1'-[2-(4-Methoxyphenyl)ethene-1,1-diyl]bis[4-(benzyloxy)benzene]","","COC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5","WEPZIGQWIXTQSH-UHFFFAOYSA-N","370875",NA,"PDBC10377","644610","Present"
-"1-[2,2-Diethyl-4-(trifluoromethyl)-1H-benzo[h]quinazolin-6-yl]-2,2,2-trifluoroethanone","","","","","","","","","","","","","","","","","","","","1-[2,2-Diethyl-4-(trifluoromethyl)-2,3-dihydrobenzo[h]quinazolin-6-yl]-2,2,2-trifluoroethanone","","CCC1(NC2=C(C=C(C3=CC=CC=C32)C(=O)C(F)(F)F)C(=N1)C(F)(F)F)CC","ANJTWHWNJGMOHE-UHFFFAOYSA-N","135426726",NA,"PDBC10378","711691","Present"
-"1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-2-(butylamino)ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-2-(butylamino)ethanol;hydrochloride","","CCCCNCC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.Cl","CJDMBLURYPQUIH-UHFFFAOYSA-N","24198823",NA,"PDBC10379","305777","Present"
-"1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-2-(dibutylamino)ethanol hydrochloride","","","","","","","","","","","","","","","","","","","","1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-2-(dibutylamino)ethanol hydrochloride","","CCCCN(CCCC)CC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.Cl","MSUSHVMOFURADQ-UHFFFAOYSA-N","24198820",NA,"PDBC10380","305772","Present"
-"1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-3-(dibutylamino)propan-1-ol","","","","","","","","","","","","","","","","","","","","1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-3-(dibutylamino)propan-1-ol","","CCCCN(CCCC)CCC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.Cl","RVRVSWFVRWJBTJ-UHFFFAOYSA-N","24198828",NA,"PDBC10381","305790","Present"
-"1-[2-((2E)-2-{1-Methyl-3-[(3-nitrophenyl)amino]-3-oxopropylidene}hydrazino)-2-oxoethyl]pyridinium chloride","","","","","","","","","","","","","","","","","","","","(3E)-N-(3-Nitrophenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]butanamide;chloride","","CC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-].[Cl-]","OMKNVATZFAWIGI-XTWSRORZSA-N","9571666",NA,"PDBC10382","641860","Present"
-"1-[2-((2E)-2-{1-Methyl-3-oxo-3-[(2-phenylethyl)amino]propylidene}hydrazino)-2-oxoethyl]pyridinium chloride","","","","","","","","","","","","","","","","","","","","(3E)-N-(2-Phenylethyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]butanamide;chloride","","CC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)NCCC2=CC=CC=C2.[Cl-]","CBEVENLCBUQTCA-JEBHESKQSA-N","9555840",NA,"PDBC10383","641847","Present"
-"1-[2-((2E)-2-{2-[(3-Methoxyphenyl)amino]-1-[(3-methylquinoxalin-2-yl)methyl]-2-oxoethylidene}hydrazino)-2-oxoethyl]pyridinium chloride","","","","","","","","","","","","","","","","","","","","(2E)-N-(3-Methoxyphenyl)-3-(3-methylquinoxalin-2-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]propanamide;chloride","","CC1=NC2=CC=CC=C2N=C1CC(=NNC(=O)C[N+]3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC.[Cl-]","KMCXRDIXRUEQEO-UHFFFAOYSA-N","6517268",NA,"PDBC10384","646783","Present"
-"1-[2-((2E)-2-{3-[(4-Chlorophenyl)amino]-1-methyl-3-oxopropylidene}hydrazino)-2-oxoethyl]pyridinium chloride","","","","","","","","","","","","","","","","","","","","(3E)-N-(4-Chlorophenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]butanamide;chloride","","CC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)Cl.[Cl-]","FXFCEACFBMTPCE-UNUAAEKOSA-N","9555841",NA,"PDBC10385","641849","Present"
-"1-[2-(1,3-Dithian-2-yl)phenyl]-2,5-dimethyl-pyrrole","","","","","","","","","","","","","","","","","","","","1-[2-(1,3-Dithian-2-yl)phenyl]-2,5-dimethyl-pyrrole","","CC1=CC=C(N1C2=CC=CC=C2C3SCCCS3)C","XROATGXVKGCWAT-UHFFFAOYSA-N","389271",NA,"PDBC10386","685024","Present"
-"1-[2-(1-Hydroxybut-3-ynyl)phenyl]but-3-yn-1-ol","","","","","","","","","","","","","","","","","","","","1-[2-(1-Hydroxybut-3-ynyl)phenyl]but-3-yn-1-ol","","C#CCC(C1=CC=CC=C1C(CC#C)O)O","XBBNTCTUWOYKJA-UHFFFAOYSA-N","361626",NA,"PDBC10387","624843","Present"
-"1-[2-(1H-Benzimidazol-2-yl)ethyl]-2-methylbenzimidazole","","","","","","","","","","","","","","","","","","","","1-[2-(1h-Benzimidazol-2-yl)ethyl]-2-methyl-benzimidazole","","CC1=NC2=CC=CC=C2N1CCC3=NC4=CC=CC=C4N3","UMFPRXONBXYIKT-UHFFFAOYSA-N","396635",NA,"PDBC10388","703134","Present"
-"1-[2-(1H-Indol-2-yl)-2-oxoethyl]-4-methoxypyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-[2-(1h-Indol-2-yl)-2-oxo-ethyl]-4-methoxy-pyrimidin-2-one","","COC1=NC(=O)N(C=C1)CC(=O)C2=CC3=CC=CC=C3N2","RZERZCHFTZLICQ-UHFFFAOYSA-N","396999",NA,"PDBC10389","704236","Present"
-"1-[2-(1H-Indol-3-yl)ethyl]-2-methyl-3-phenylmethoxypyridin-4-one","","","","","","","","","","","","","","","","","","","","3-(Benzyloxy)-1-[2-(1h-indol-3-yl)ethyl]-2-methylpyridin-4(1h)-one","","CC1=C(C(=O)C=CN1CCC2=CNC3=CC=CC=C32)OCC4=CC=CC=C4","LOECBFUNADURPF-UHFFFAOYSA-N","404681",NA,"PDBC10390","721120","Present"
-"1-[2-(1H-Indol-3-yl)ethyl]indole","","","","","","","","","","","","","","","","","","","","1-(2-(1H-Indol-3-yl)ethyl)-1H-indole","","C1=CC=C2C(=C1)C=CN2CCC3=CNC4=CC=CC=C43","QTHJXQCOLGYAGN-UHFFFAOYSA-N","378604",NA,"PDBC10391","661244","Present"
-"1-[2-(1H-Indol-3-yl)ethyl]piperidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-[2-(1H-Indol-3-yl)ethyl]piperidine-2-carboxylic acid","","C1CCN(C(C1)C(=O)O)CCC2=CNC3=CC=CC=C32","BHHZUKSUOKMHHL-UHFFFAOYSA-N","396991",NA,"PDBC10392","704228","Present"
-"1-[2-(1H-Indol-3-yl)ethyl]piperidine-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-[2-(1H-Indol-3-yl)ethyl]piperidine-3-carboxylic acid","","C1CC(CN(C1)CCC2=CNC3=CC=CC=C32)C(=O)O","PVMXBAQIDQNRNY-UHFFFAOYSA-N","396990",NA,"PDBC10393","704227","Present"
-"1-[2-(2,4-Dichlorophenyl)ethyl]indole;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC659335","","C1=CC=C2C(=C1)C=CN2CCC3=C(C=C(C=C3)Cl)Cl.Cl","KILJSNMHVMKXOW-UHFFFAOYSA-N","377744",NA,"PDBC10394","659335","Present"
-"1-[2-(2,5-Dioxo-4-phenyl-piperazin-1-yl)ethyl]-4-phenyl-piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-[2-(2,5-Dioxo-4-phenyl-piperazin-1-yl)ethyl]-4-phenyl-piperazine-2,5-dione","","C1C(=O)N(CC(=O)N1CCN2CC(=O)N(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4","ZJZKCXQWMXYPTF-UHFFFAOYSA-N","376330",NA,"PDBC10395","657162","Present"
-"1-[2-(2-Cyanoethylamino)ethyl]-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea","","","","","","","","","","","","","","","","","","","","1-[2-(2-Cyanoethylamino)ethyl]-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea","","C1=CC=C(C=C1)NC(=O)N(CCNCCC#N)CCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3","PULIUBGECBSXJE-UHFFFAOYSA-N","393247",NA,"PDBC10396","694874","Present"
-"1-[2-(2-Hydroxyethoxy)ethoxy]-9,10-anthraquinone","","","","","","","","","","","","","","","","","","","","1-[2-(2-Hydroxyethoxy)ethoxy]-9,10-anthraquinone","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCO","VPNNMUNVZCJJLA-UHFFFAOYSA-N","335015",NA,"PDBC10397","342913","Present"
-"1-[2-(2-Hydroxyethylamino)ethyl]-3-[(E)-(4-methoxyphenyl)methylideneamino]urea","","","","","","","","","","","","","","","","","","","","1-[2-(2-Hydroxyethylamino)ethyl]-3-[(E)-(4-methoxyphenyl)methylideneamino]urea","","COC1=CC=C(C=C1)C=NNC(=O)NCCNCCO","HCWGOFOSKUTMDY-MHWRWJLKSA-N","9554128",NA,"PDBC10398","656196","Present"
-"1-[2-(2-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine;oxalic acid","","","","","","","","","","","","","","","","","","","","1-[2-(2-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine ethanedioate","","COC1=CC=CC=C1CCN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O","NAIHSEYNVVGLMM-UHFFFAOYSA-N","401859",NA,"PDBC10399","715561","Present"
-"1-[2-(2-Pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","1-[2-(2-Pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea","","C1=CC=NC(=C1)CCNC(=S)NN=CC2=CC=CC=N2","YDGUQTMRXAWNNJ-WOJGMQOQSA-N","9571904",NA,"PDBC10400","670779","Present"
-"1-[2-(3,3-Dimethyl-2-oxobutyl)-2-hydroxy-1,4-benzothiazin-3-yl]-3,3-dimethylbutan-2-one","","","","","","","","","","","","","","","","","","","","1-[2-(3,3-Dimethyl-2-oxobutyl)-2-hydroxy-1,4-benzothiazin-3-yl]-3,3-dimethylbutan-2-one","","CC(C)(C)C(=O)CC1=NC2=CC=CC=C2SC1(CC(=O)C(C)(C)C)O","DPOBZBFEZWWIMT-UHFFFAOYSA-N","404244",NA,"PDBC10401","720422","Present"
-"1-[2-(3,4-Dichlorophenyl)ethyl]-4-(3-phenylpropyl)piperazine","","","","","","","","","","","","","","","","","","","","1-[2-(3,4-Dichlorophenyl)ethyl]-4-(3-phenylpropyl)piperazine","","C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC(=C(C=C3)Cl)Cl","MXPILNNLSULRSB-UHFFFAOYSA-N","401827",NA,"PDBC10402","715543","Present"
-"1-[2-(3,4-Dimethoxyphenyl)acetyl]-3a-methyl-2,3,4,6-tetrahydroindol-5-one","","","","","","","","","","","","","","","","","","","","1-[2-(3,4-Dimethoxyphenyl)acetyl]-3a-methyl-2,3,4,6-tetrahydroindol-5-one","","CC12CCN(C1=CCC(=O)C2)C(=O)CC3=CC(=C(C=C3)OC)OC","KNAQWOKFHKHYGF-UHFFFAOYSA-N","397462",NA,"PDBC10403","705320","Present"
-"1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-2-methylpyridin-4-one","","","","","","","","","","","","","","","","","","","","1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-2-methylpyridin-4(1h)-one","","CC1=C(C(=O)C=CN1CCC2=CC(=C(C=C2)OC)OC)O","MCLRUJVAKWUPAU-UHFFFAOYSA-N","404686",NA,"PDBC10404","721125","Present"
-"1-[2-(3,4-Dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline","","","","","","","","","","","","","","","","","","","","1-[2-(3,4-Dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline","","CN1CCC2=CC(=C(C=C2C1CCC3=CC(=C(C=C3)OC)OC)OC)OC","AECKSTRRHRODOS-UHFFFAOYSA-N","371242",NA,"PDBC10405","645298","Present"
-"1-[2-(3-Chlorophenyl)-2-oxoethyl]-2-acetylbenzimidazole","","","","","","","","","","","","","","","","","","","","1-[2-(3-Chlorophenyl)-2-oxoethyl]-2-acetylbenzimidazole","","CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC(=CC=C3)Cl","MVANUQIGPAVACK-UHFFFAOYSA-N","46911792",NA,"PDBC10406","748533","Present"
-"1-[2-(3-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine;oxalic acid","","","","","","","","","","","","","","","","","","","","1-[2-(3-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine ethanedioate","","COC1=CC=CC(=C1)CCN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O","XLCVWXSSVDMPFZ-UHFFFAOYSA-N","401861",NA,"PDBC10407","715562","Present"
-"1-[2-(4-Bromophenyl)-2-oxoethyl]-4-octylpyridin-1-ium bromide","","","","","","","","","","","","","","","","","","","","1-[2-(4-Bromophenyl)-2-oxoethyl]-4-octylpyridin-1-ium bromide","","CCCCCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)Br.[Br-]","DLVBEAORYDCUJK-UHFFFAOYSA-M","24181043",NA,"PDBC10408","4303","Present"
-"1-[2-(4-Chlorophenyl)-2-oxoethyl]-3-phenylquinoxalin-2-one","","","","","","","","","","","","","","","","","","","","1-[2-(4-Chlorophenyl)-2-oxoethyl]-3-phenylquinoxalin-2-one","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CC(=O)C4=CC=C(C=C4)Cl","KUMJOABSULDVNP-UHFFFAOYSA-N","11975057",NA,"PDBC10409","734784","Present"
-"1-[2-(4-Imidazolyl)ethyl]-3-(4-methylphenylsulfonyl)urea","","","","","","","","","","","","","","","","","","","","1-[2-(1H-Imidazol-5-yl)ethyl]-3-(4-methylphenyl)sulfonylurea","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CN=CN2","FQSKBIRASYBLEL-UHFFFAOYSA-N","395829",NA,"PDBC10410","700721","Present"
-"1-[2-(4-Methoxyanilino)-1-naphthyl]naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-[2-(4-Methoxyanilino)-1-naphthyl]naphthalen-2-ol","","COC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O","MJEWEYFACUWOCH-UHFFFAOYSA-N","394816",NA,"PDBC10411","698618","Present"
-"1-[2-(4-Methoxyphenyl)-1,3-dithian-2-yl]propan-2-ol","","","","","","","","","","","","","","","","","","","","1-[2-(4-Methoxyphenyl)-1,3-dithian-2-yl]propan-2-ol","","CC(CC1(SCCCS1)C2=CC=C(C=C2)OC)O","ILXQJYPVLUIEPR-UHFFFAOYSA-N","496467",NA,"PDBC10412","689730","Present"
-"1-[2-(4-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine;oxalic acid","","","","","","","","","","","","","","","","","","","","1-[2-(4-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine ethanedioate","","COC1=CC=C(C=C1)CCN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O","YBMDUTOVGCTGRX-UHFFFAOYSA-N","401828",NA,"PDBC10413","715544","Present"
-"1-[2-(4-Methoxyphenyl)ethyl]-5-methylpyrazole;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC667060","","CC1=CC=NN1CCC2=CC=C(C=C2)OC.Cl","NROQMUXEKSRWTQ-UHFFFAOYSA-N","381040",NA,"PDBC10414","667060","Present"
-"1-[2-(4-Methoxyphenyl)ethyl]benzimidazole;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC659334","","COC1=CC=C(C=C1)CCN2C=NC3=CC=CC=C32.Cl","YWRCNPONHGSWPL-UHFFFAOYSA-N","377742",NA,"PDBC10415","659334","Present"
-"1-[2-(4-Nitrophenyl)-2-oxoethyl]-4-pentylpyridin-1-ium bromide","","","","","","","","","","","","","","","","","","","","1-[2-(4-Nitrophenyl)-2-oxoethyl]-4-pentylpyridin-1-ium bromide","","CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]","PTQWFSQVOFQVCI-UHFFFAOYSA-M","24181037",NA,"PDBC10416","4290","Present"
-"1-[2-(Benzenesulfonyl)ethyl]-2,3-bis(phenylsulfanyl)indole","","","","","","","","","","","","","","","","","","","","1-[2-(Benzenesulfonyl)ethyl]-2,3-bis(phenylsulfanyl)indole","","C1=CC=C(C=C1)SC2=C(N(C3=CC=CC=C32)CCS(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5","ZNAPVRQWZKVINK-UHFFFAOYSA-N","379534",NA,"PDBC10417","664207","Present"
-"1-[2-(Diethylamino)ethyl-methylamino]-4-(hydroxymethyl)-10-oxothioxanthen-9-one;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[2-(Diethylamino)ethyl-methylamino]-4-(hydroxymethyl)-10-oxothioxanthen-9-one;hydrochloride","","CCN(CC)CCN(C)C1=C2C(=C(C=C1)CO)S(=O)C3=CC=CC=C3C2=O.Cl","AFPTYEFJXGSOAD-UHFFFAOYSA-N","54604257",NA,"PDBC10418","166382","Present"
-"1-[2-(Diethylamino)ethyl]-1H-pyrazolo[3,4-b]quinoxalin-3-amine","","","","","","","","","","","","","","","","","","","","1-[2-(Diethylamino)ethyl]-1H-pyrazolo[3,4-b]quinoxalin-3-amine","","CCN(CC)CCN1C2=NC3=CC=CC=C3N=C2C(=N1)N","QGLAXCCABAOQII-UHFFFAOYSA-N","392853",NA,"PDBC10419","693865","Present"
-"1-[2-(Dimethylamino)-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","1-[2-(Dimethylamino)-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide","","CN(C)C(CC1=CN=CN1)C(=O)N2CCCC2C(=O)N","NEVJDESVKGOUIA-UHFFFAOYSA-N","381830",NA,"PDBC10420","668903","Present"
-"1-[2-(Dimethylamino)ethoxy]anthracene-9,10-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC300580","","CN(C)CCOC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O.Cl","UVHZUOPOKJJJDG-UHFFFAOYSA-N","12509074",NA,"PDBC10421","300580","Present"
-"1-[2-(Dimethylamino)ethyl]-6,7-dimethylpyrazolo[4,3-b]quinoxalin-3-amine","","","","","","","","","","","","","","","","","","","","1-(2-Dimethylaminoethyl)-6,7-dimethyl-pyrazolo[5,4-b]quinoxalin-3-amine","","CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3CCN(C)C)N","JASQKAADVTZUEX-UHFFFAOYSA-N","395807",NA,"PDBC10422","700695","Present"
-"1-[2-(Dimethylamino)ethylamino]-4-methylthioxanthen-9-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Thioxanthen-9-one, 1-(2-dimethylaminoethylamino)-4-methy...","","CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=CC=CC=C3S2.Cl","GNWUNJZINNJKDO-UHFFFAOYSA-N","21144189",NA,"PDBC10423","37374","Present"
-"1-[2-(Dimethylamino)ethylamino]-4-nitrothioxanthen-9-one;chloride","","","","","","","","","","","","","","","","","","","","Thioxanthen-9-one, 1-(2-dimethylaminoethylamino)-4-nitro...","","CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]","AYTRJONFOQGXKE-UHFFFAOYSA-M","24186124",NA,"PDBC10424","46085","Present"
-"1-[2-(Dimethylamino)ethylamino]-7-methoxythioxanthen-9-one","","","","","","","","","","","","","","","","","","","","LXACNBOGQYSBSG-UHFFFAOYSA-N","","CN(C)CCNC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)OC","LXACNBOGQYSBSG-UHFFFAOYSA-N","341816",NA,"PDBC10425","375387","Present"
-"1-[2-(Dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-methoxy-9,10-dihydroacridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-methoxy-9,10-dihydroacridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","1-[2-(Dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-methoxy-9,10-dihydroacridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-methoxy-9,10-dihydroacridine-4-carboxamide","","CN(C)CCNC1=C2CC3=C(C=CC(=C3)OC)NC2=C(C=C1)C(=O)NCCCN(C)CCCNC(=O)C4=C5C(=C(C=C4)NCCN(C)C)CC6=C(N5)C=CC(=C6)OC","CGUFLBUZZYSGMH-UHFFFAOYSA-N","399636",NA,"PDBC10426","710553","Present"
-"1-[2-(Dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-9-oxo-10H-acridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[2-(Dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-9-oxo-10H-acridine-4-carboxamide;hydrochloride","","CN(C)CCNC1=C2C(=C(C=C1)C(=O)NCCCN(C)CCCNC(=O)C3=C4C(=C(C=C3)NCCN(C)C)C(=O)C5=CC=CC=C5N4)NC6=CC=CC=C6C2=O.Cl","LQZMYEHNMQMVEW-UHFFFAOYSA-N","439097",NA,"PDBC10427","720689","Present"
-"1-[2-(Diphenylphosphorylamino)phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[2-(Diphenylphosphorylamino)phenyl]ethanone","","CC(=O)C1=CC=CC=C1NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","LLKPWELELQATEW-UHFFFAOYSA-N","403938",NA,"PDBC10428","719704","Present"
-"1-[2-(Ethoxycarbonyl)ethyl]-2-oxocyclohexanecarboxylic acid (1R)-5beta-methyl-2alpha-(1-methylethyl)cyclohexane-1beta-yl ester","","","","","","","","","","","","","","","","","","","","(1r,2s,5r)-5-Methyl-2-(1-methylethyl)cyclohexyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclohexanecarboxylate","","CCOC(=O)CCC1(CCCCC1=O)C(=O)OC2CC(CCC2C(C)C)C","HBKXRCXWZIRPJP-XVSHDKDLSA-N","401394",NA,"PDBC10429","714895","Present"
-"1-[2-(Ethylamino)ethylamino]-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-((2-(ethylamino)ethyl)amino)-3-(4-(trifluoromethyl)phe...","","CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)C(F)(F)F","HQUPLQWCGPBPRZ-UHFFFAOYSA-N","53361220",NA,"PDBC10430","782940","Present"
-"1-[2-(Trifluoromethyl)phenyl]-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline","","","","","","","","","","","","","","","","","","","","1-[2-(Trifluoromethyl)phenyl]-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline","","C1C2=CC=CC=C2N=C3N1C(SC3)C4=CC=CC=C4C(F)(F)F","UIUTUUHQASDMSE-UHFFFAOYSA-N","395897",NA,"PDBC10431","700992","Present"
-"1-[2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)benzenes ulfonyl]-3-(2-hydroxyphenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-[2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)benz...","","C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)N=C(N)NC4=CC=CC=C4O","ABEGYZMDLDGKLG-UHFFFAOYSA-N","24205038",NA,"PDBC10432","734059","Present"
-"1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea","","","","","","","","","","","","","","","","","","","","1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea","","C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl","IKMXRDUWNLKSBD-UHFFFAOYSA-N","340699",NA,"PDBC10433","371722","Present"
-"1-[2-Ethoxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[2-Ethoxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]pyrimidine-2,4-dione","","CCOC1C(CC(C(O1)CO)O)N2C=CC(=O)NC2=O","SOQXBYPSWNTGDD-UHFFFAOYSA-N","395156",NA,"PDBC10434","699456","Present"
-"1-[2-Fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea","","","","","","","","","","","","","","","","","","","","1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-y...","","C1=CC=C2C(=C1)C(=NN2)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)F","OQNGGPLHATVXAM-UHFFFAOYSA-N","25197520",NA,"PDBC10435","742796","Present"
-"1-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,5,7-trimethyl-6-phenyl-pyrrolo[3,4-d]pyridazin-4-one","","","","","","","","","","","","","","","","","","","","1-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one","","CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(N=C2OCC(CN4CCN(CC4)C5=CC=CC=C5)O)C","LZILRVVNLIBKFM-UHFFFAOYSA-N","401028",NA,"PDBC10436","713733","Present"
-"1-[2-Hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-N,N-dimethylmethanamine oxide","","","","","","","","","","","","","","","","","","","","2-[(Dimethylnitroryl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol","","CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)C[N+](C)(C)[O-]","JLMGNCQHXBKNML-UHFFFAOYSA-N","223186",NA,"PDBC10437","10572","Present"
-"1-[2-Methyl-3-(m-tolyl)-4-oxo-quinazolin-6-yl]-3-phenyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[2-Methyl-3-(m-tolyl)-4-oxo-quinazolin-6-yl]-3-phenyl-thiourea","","CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C=C(C=C3)NC(=S)NC4=CC=CC=C4)C","JVYHRFMEJWAETM-UHFFFAOYSA-N","3005172",NA,"PDBC10438","679220","Present"
-"1-[2-Oxo-2-(4-chlorophenyl)ethyl]-2-ethyl-1H-pyrrolo[1,2-c]imidazole-3(2H)-thione","","","","","","","","","","","","","","","","","","","","1-[2-Oxo-2-(4-chlorophenyl)ethyl]-2-ethyl-1H-pyrrolo[1,2-c]imidazole-3(2H)-thione","","CCN1C(C2=CC=CN2C1=S)CC(=O)C3=CC=C(C=C3)Cl","VIZFXTAZCFOHAF-UHFFFAOYSA-N","400006",NA,"PDBC10439","711188","Present"
-"1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-4-imino-pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-4-imino-pyrimidin-2-one","","CC1=CC(=C(C=C1)C)COCCOCN2C=CC(=NC2=O)N","SAVJATQOMYEVNA-UHFFFAOYSA-N","395257",NA,"PDBC10440","699735","Present"
-"1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-5-morpholino-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-5-morpholino-pyrimidine-2,4-dione","","CC1=CC(=C(C=C1)C)COCCOCN2C=C(C(=O)NC2=O)N3CCOCC3","IEODPWZMNKFAIE-UHFFFAOYSA-N","395259",NA,"PDBC10441","699737","Present"
-"1-[2-[(2-Hydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","1-[2-[(2-Hydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione","","C1=CC=C(C(=C1)C=NCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)O","DFCMWYCTOPERLY-UHFFFAOYSA-N","135958487",NA,"PDBC10442","745500","Present"
-"1-[2-[(2-Methoxyacridin-9-yl)amino]ethylamino]propan-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[2-[(2-Methoxyacridin-9-yl)amino]ethylamino]propan-2-ol;hydrochloride","","CC(CNCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)O.Cl","YXFRMZDXQIXPRL-UHFFFAOYSA-N","54609322",NA,"PDBC10443","14073","Present"
-"1-[2-[(6-Chloro-2-methoxy-acridin-9-yl)amino]ethylamino]propan-2-ol","","","","","","","","","","","","","","","","","","","","1-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethylamino]propan-2-ol;hydrochloride","","CC(CNCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)O.Cl","MEBXOTMJQCVHEK-UHFFFAOYSA-N","24182154",NA,"PDBC10444","14072","Present"
-"1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]piperidine","","","","","","","","","","","","","","","","","","","","1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]piperidine","","CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)COCCN3CCCCC3","MWWWIYIITXUMNM-UHFFFAOYSA-N","380197",NA,"PDBC10445","665659","Present"
-"1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]pyrrolidine","","","","","","","","","","","","","","","","","","","","1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]pyrrolidine","","CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)COCCN3CCCC3","WEGNROODOZCARP-UHFFFAOYSA-N","380198",NA,"PDBC10446","665661","Present"
-"1-[2-[(E)-3-[2-(5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-allyl]sulfanylphenyl]-3-phenyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylphenyl]-3-phenylthiourea","","C1=CC=C(C=C1)C2C(=NNC(=N2)NNC=CC(C3=CC=CC=C3)SC4=CC=CC=C4NC(=S)NC5=CC=CC=C5)C6=CC=CC=C6","ZJUYMFOFJRHRBN-OCEACIFDSA-N","5924617",NA,"PDBC10447","640632","Present"
-"1-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]propan-2-ol","","","","","","","","","","","","","","","","","","","","1-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]propan-2-ol","","CCCCCCCCC=CCCCCCCCC1=NC(CN1CC(C)O)(C)C","PDSMFQXAJKQIOL-OUKQBFOZSA-N","5354710",NA,"PDBC10448","17759","Present"
-"1-[2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","1-[2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]pyrrolidin-2-one","","CSC1=CC=CC=C1C#CC=CC#CC2=CC=CC=C2N3CCCC3=O","AGWLYCRMGHXGFZ-IHWYPQMZSA-N","45028782",NA,"PDBC10449","744170","Present"
-"1-[2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]piperidin-2-one","","","","","","","","","","","","","","","","","","","","1-[2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]piperidin-2-one","","C1CCN(C(=O)C1)C2=CC=CC=C2C#CC=CC#CC3=CC=CC=C3C(F)(F)F","CDHWFOMAUSEMLA-UPHRSURJSA-N","24205406",NA,"PDBC10450","735435","Present"
-"1-[2-[1-[2,2-Dimethyl-6-(2-undecoxyethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy]ethyl]pyrrolidine","","","","","","","","","","","","","","","","","","","","1-[2-[1-[2,2-Dimethyl-6-(2-undecoxyethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy]ethyl]pyrrolidine","","CCCCCCCCCCCOCCC1C2C(OC1C(C)OCCN3CCCC3)OC(O2)(C)C","VMTBRZJXPPDZHJ-UHFFFAOYSA-N","380196",NA,"PDBC10451","665640","Present"
-"1-[2-[2,5-Dioxo-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-[2-[2,5-dioxo-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione","","C1C(=O)N(CC(=O)N1CCN2CC(=O)N(CC2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC(=C4)C(F)(F)F","PAUMLIPRWJWMSM-UHFFFAOYSA-N","376332",NA,"PDBC10452","657164","Present"
-"1-[2-[2-(Chloromethyl)phenyl]ethyl]-5-nitro-2H-indazol-3-one","","","","","","","","","","","","","","","","","","","","1-[2-[2-(Chloromethyl)phenyl]ethyl]-5-nitro-2H-indazol-3-one","","C1=CC=C(C(=C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)CCl","WLNDXQBEGWXQJH-UHFFFAOYSA-N","383720",NA,"PDBC10453","672149","Present"
-"1-[2-[2-Cyanoethyl(methylcarbamoyl)amino]ethyl]-3,3-dimethyl-1-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-[2-[2-Cyanoethyl(methylcarbamoyl)amino]ethyl]-3,3-dimethyl-1-phenyl-urea","","CNC(=O)N(CCC#N)CCN(C1=CC=CC=C1)C(=O)N(C)C","GISRQPMLTCCBIW-UHFFFAOYSA-N","390713",NA,"PDBC10454","688355","Present"
-"1-[2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethylamino]ethyl]-4-(tritylamino)pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-[2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethylamino]ethyl]-4-(tritylamino)pyrimidin-2-one","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCNCCN5C=CC(=NC5=O)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","YHURRSCVZIYTJY-UHFFFAOYSA-N","368678",NA,"PDBC10455","639796","Present"
-"1-[2-[4-(Hydroxymethyl)piperidin-1-yl]-4-pyridin-3-ylphenyl]-3-(4-methylphenyl)urea","","","","","","","","","","","","","","","","","","","","1-(2-(4-(hydroxymethyl)piperidin-1-yl)-4-(pyridin-3-yl)p...","","CC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)C3=CN=CC=C3)N4CCC(CC4)CO","UUPFQQIDFGWVGY-UHFFFAOYSA-N","155811885",NA,"PDBC10456","781358","Present"
-"1-[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]-2,4,6-trimethylpyridin-1-ium;perchlorate","","","","","","","","","","","","","","","","","","","","1-[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]-2,4,6-trimethylpyridin-1-ium;perchlorate","","CC1=CC(=[N+](C(=C1)C)CCOC2=CC=C(C=C2)C(=C(C3=CC=CC=C3)Cl)C4=CC=CC=C4)C.[O-]Cl(=O)(=O)=O","RVKSVTNBTDRXHT-BXGDTPBJSA-M","24202368",NA,"PDBC10457","644614","Present"
-"1-[2-[4-[2-(4,6-Dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-1-yl)-2-oxo-ethoxy]phenoxy]acetyl]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","1-[2-[4-[2-(4,6-Dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)-2-oxoethoxy]phenoxy]acetyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione","","C1C(=O)N(C(=S)N(C1=O)C(=O)COC2=CC=C(C=C2)OCC(=O)N3C(=O)CC(=O)N(C3=S)C4=CC=CC=C4)C5=CC=CC=C5","YBSIFJGRQULWCB-UHFFFAOYSA-N","394033",NA,"PDBC10458","697151","Present"
-"1-[2-[5-[(Z)-N-Hydroxy-C-methyl-carbonimidoyl]-4-methyl-thiazol-2-yl]-4-methyl-thiazol-5-yl]ethanone oxime","","","","","","","","","","","","","","","","","","","","(NZ)-N-[1-[2-[5-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=NO)C)C)C(=NO)C","CGLXPXSSJZXUCA-DUGOVBPYSA-N","135499174",NA,"PDBC10459","642072","Present"
-"1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-chloropropyl)piperazine;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-chloropropyl)piperazine;(Z)-but-2-enedioic acid","","C1CN(CCN1CCCCl)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C(=CC(=O)O)C(=O)O","UDJZLYCFTPNQAC-BTJKTKAUSA-N","5471947",NA,"PDBC10460","715545","Present"
-"1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;methanesulfonic acid","","","","","","","","","","","","","","","","","","","","1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine; methanesulfonic acid","","CS(=O)(=O)O.C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F","FNGLMCGAZAMSHH-UHFFFAOYSA-N","398111",NA,"PDBC10461","707476","Present"
-"1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-[(6-methoxy-3,4-dihydronaphthalen-2-yl)methyl]piperazine;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-[(6-methoxy-3,4-dihydronaphthalen-2-yl)methyl]piperazine;(Z)-but-2-enedioic acid","","COC1=CC2=C(C=C1)C=C(CC2)CN3CCN(CC3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=CC(=O)O)C(=O)O","QBQSCRAIVFFMQB-BTJKTKAUSA-N","5471959",NA,"PDBC10462","715594","Present"
-"1-[2-[Bis(dimethylamino)phosphoryloxy]furan-3-yl]-2-phenylethanol","","","","","","","","","","","","","","","","","","","","1-[2-Bis(dimethylamino)phosphoryloxy-3-furyl]-2-phenyl-ethanol","","CN(C)P(=O)(N(C)C)OC1=C(C=CO1)C(CC2=CC=CC=C2)O","MKIXDIVUQWOFLX-UHFFFAOYSA-N","395710",NA,"PDBC10463","700508","Present"
-"1-[2-[Tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-fluoropyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[2-[Tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-fluoro-pyrimidine-2,4-dione","","CC(C)(C)[Si](C)(C)OCCOCN1C=C(C(=O)NC1=O)F","MHLBLQMZBGWJEU-UHFFFAOYSA-N","388210",NA,"PDBC10464","682804","Present"
-"1-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[[4-Amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[[4-Amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-methylbutanoy","","CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)CN","WARBRZOAJGBLCA-UHFFFAOYSA-N","383813",NA,"PDBC10465","672428","Present"
-"1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-Acetamido-3-naphthalen-2-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-Acetamido-3-naphthalen-2-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]am","","CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C","VJLZJDCIXSLXBU-UHFFFAOYSA-N","16130063",NA,"PDBC10466","373964","Present"
-"1-[3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","1-[3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]-1,2,4-triazole","","C1=NN(C=N1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C=NC=N2","TUFXQSAGLVXWKV-UHFFFAOYSA-N","394721",NA,"PDBC10467","698389","Present"
-"1-[3,4-Di(tetrahydropyran-2-yloxy)-5-(tetrahydropyran-2-yloxymethyl)tetrahydrofuran-2-yl]-3-phenyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[3,4-Bis(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]-3-phenylpyrimidine-2,4-dione","","C1CCOC(C1)OCC2C(C(C(O2)N3C=CC(=O)N(C3=O)C4=CC=CC=C4)OC5CCCCO5)OC6CCCCO6","YBQVRHHWTGXDDA-UHFFFAOYSA-N","389071",NA,"PDBC10468","684710","Present"
-"1-[3,4-Difluorophenyl]-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(3,4-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=C(C=C4)F)F","RXSLHEFJEDSTSE-UHFFFAOYSA-N","362682",NA,"PDBC10469","626913","Present"
-"1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(4-phenylpiperazin-1-yl)pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(4-phenylpiperazin-1-yl)pyrimidin-2-one","","C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)N(C=C3)C4C(C(C(O4)CO)O)O","VXFVTAAJVXETCQ-UHFFFAOYSA-N","401211",NA,"PDBC10470","714415","Present"
-"1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-methoxyphenyl)methylamino]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-methoxyphenyl)methylamino]pyrimidin-2-one","","COC1=CC=C(C=C1)CNC2=NC(=O)N(C=C2)C3C(C(C(O3)CO)O)O","GUCJRNZJUJWJEM-UHFFFAOYSA-N","401207",NA,"PDBC10471","714411","Present"
-"1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-6-(4-phenylphenyl)pteridin-2-one","","","","","","","","","","","","","","","","","","","","1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-6-(4-phenylphenyl)pteridin-2-one","","C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C4C(=N3)C(=NC(=O)N4C5C(C(C(O5)CO)O)O)N","ATCVFVUEODILGB-UHFFFAOYSA-N","387287",NA,"PDBC10472","680981","Present"
-"1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-formamido-imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-formamido-imidazole-4-carboxamide","","C1=NC(=C(N1C2C(C(C(O2)CO)O)O)NC=O)C(=O)N","MWNOGKUSFKSGJC-UHFFFAOYSA-N","386058",NA,"PDBC10473","677627","Present"
-"1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(4-phenylphenyl)pteridine-2,4-dione","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pteridinedione, 6-[1,1'-biphenyl]-4-yl-1-pentofuranosyl-","","C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C4C(=N3)C(=O)NC(=O)N4C5C(C(C(O5)CO)O)O","ROBMVFWDYLGFQA-UHFFFAOYSA-N","387286",NA,"PDBC10474","680980","Present"
-"1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-(4-phenylphenyl)pteridine-2,4-dione","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pteridinedione, 7-[1,1'-biphenyl]-4-yl-1-pentofuranosyl-","","C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C4C(=O)NC(=O)N(C4=N3)C5C(C(C(O5)CO)O)O","IUMAVLBFWDFTEU-UHFFFAOYSA-N","387288",NA,"PDBC10475","680982","Present"
-"1-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-(3,4,5-trimethox...","","COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","YKVVBPWDDSWDMW-UHFFFAOYSA-N","155807613",NA,"PDBC10476","785509","Present"
-"1-[3,5-Bis(trifluoromethyl)phenyl]-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(3,5-bis(trifluoromethyl)phenyl)-3-(6-(2-methoxyphenyl...","","COC1=CC=CC=C1C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","PGFNZIZMCRBMPC-UHFFFAOYSA-N","155813800",NA,"PDBC10477","795906","Present"
-"1-[3,5-Dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonyl-3,5-dimethylpiperidine","","","","","","","","","","","","","","","","","","","","1-(3,5-Dichloro-4-(2-chloro-4-nitrophenoxy)phenylsulfony...","","CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)C","XOSKWIQVQQMVBP-UHFFFAOYSA-N","341155",NA,"PDBC10478","372768","Present"
-"1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-3-(butylamino)propan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-3-(butylamino)propan-1-ol;hydrochloride","","CCCCNCCC(C1=C2C=CC(=CC2=C3C=C(C=CC3=C1)C(F)(F)F)C(F)(F)F)O.Cl","KYMOVPODVRXVEL-UHFFFAOYSA-N","24198830",NA,"PDBC10479","305792","Present"
-"1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-3-(dibutylamino)propan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-3-(dibutylamino)propan-1-ol;hydrochloride","","CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=CC3=C1)C(F)(F)F)C(F)(F)F)O.Cl","WCLYIHMDTBEZNJ-UHFFFAOYSA-N","24198825",NA,"PDBC10480","305786","Present"
-"1-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)phenyl]ethanone","","CC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4","PVLNEWIAIWAZIZ-UHFFFAOYSA-N","404609",NA,"PDBC10481","721037","Present"
-"1-[3-(2,4-Dichlorophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(2,4-Dichlorophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)Cl)Cl","GCCHRPNOUMSBKA-UHFFFAOYSA-N","390447",NA,"PDBC10482","687801","Present"
-"1-[3-(2,5-Dichlorophenyl)sulfanylpropyl]piperazine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC10777","","C1CN(CCN1)CCCSC2=C(C=CC(=C2)Cl)Cl.Cl","YGMSHKYSIZQLAT-UHFFFAOYSA-N","24181698",NA,"PDBC10483","10777","Present"
-"1-[3-(2-Hydroxyethyl)-2,2-dimethylcyclobutyl]-5-iodopyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[3-(2-Hydroxyethyl)-2,2-dimethyl-cyclobutyl]-5-iodo-pyrimidine-2,4-dione","","CC1(C(CC1N2C=C(C(=O)NC2=O)I)CCO)C","DRBOQKCNOATNDI-UHFFFAOYSA-N","395603",NA,"PDBC10484","700348","Present"
-"1-[3-(2-Hydroxyethyl)-2,2-dimethylcyclobutyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[3-(2-Hydroxyethyl)-2,2-dimethyl-cyclobutyl]pyrimidine-2,4-dione","","CC1(C(CC1N2C=CC(=O)NC2=O)CCO)C","VGTUOOXWIVLHSR-UHFFFAOYSA-N","395602",NA,"PDBC10485","700347","Present"
-"1-[3-(3,4-Dimethoxyphenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-[3-(3,4-Dimethoxyphenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol","","COC1=C(C=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C=CC5=CC=CC=C54)O)OC","PAVDIAZJLWDSLA-UHFFFAOYSA-N","390439",NA,"PDBC10486","687793","Present"
-"1-[3-(3,4-Dimethoxyphenyl)-5-(2-hydroxy-1-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-(1-Acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol","","CC(=O)N1C(CC(=N1)C2=C(C=CC3=CC=CC=C32)O)C4=CC(=C(C=C4)OC)OC","AJPOORVEBHHPGL-UHFFFAOYSA-N","390436",NA,"PDBC10487","687790","Present"
-"1-[3-(3-Chlorophenyl)-5-(2-hydroxy-5-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(3-Chlorophenyl)-5-(2-hydroxy-5-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC1=CC(=C(C=C1)O)C2=NN(C(C2)C3=CC(=CC=C3)Cl)C(=O)C","RKUPKGFKRMZJPM-UHFFFAOYSA-N","403635",NA,"PDBC10488","718703","Present"
-"1-[3-(3-Nitrophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(3-Nitrophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone","","C1=CC=C(C=C1)P(=CC(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5","CNEMQZOFUYUAJM-UHFFFAOYSA-N","403922",NA,"PDBC10489","719649","Present"
-"1-[3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanoylamino]guanidine","","","","","","","","","","","","","","","","","","","","1-[3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanoylamino]guanidine","","C(CN1C(=O)C(=C(C(=O)N1)Cl)Cl)C(=O)NN=C(N)N","WHDSXBVIZVRFSK-UHFFFAOYSA-N","364795",NA,"PDBC10490","631554","Present"
-"1-[3-(4-Bromoanilino)-5-methyl-1,2-oxazolidin-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-{3-[(4-Bromophenyl)amino]-5-methyl-1,2-oxazolidin-2-yl}ethanone","","CC1CC(N(O1)C(=O)C)NC2=CC=C(C=C2)Br","VMOBFJZZRBPCOR-UHFFFAOYSA-N","377011",NA,"PDBC10491","658229","Present"
-"1-[3-(4-Chlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-[3-(4-Chlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol","","C1C(N(N=C1C2=C(C=CC3=CC=CC=C32)O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=C(C=C5)Cl","ZORWRFJHNOZPGZ-UHFFFAOYSA-N","390440",NA,"PDBC10492","687794","Present"
-"1-[3-(4-Dimethylaminophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(4-Dimethylaminophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C4=CC=C(C=C4)N(C)C","YTSPBKYGASVAOK-UHFFFAOYSA-N","390450",NA,"PDBC10493","687804","Present"
-"1-[3-(4-Fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(4-Fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)F","YTXPSXPDRDNSJL-UHFFFAOYSA-N","11709663",NA,"PDBC10494","736162","Present"
-"1-[3-(4-Methoxyphenyl)-2-methyl-4-oxo-quinazolin-6-yl]-3-phenyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[3-(4-Methoxyphenyl)-2-methyl-4-oxo-quinazolin-6-yl]-3-phenyl-thiourea","","CC1=NC2=C(C=C(C=C2)NC(=S)NC3=CC=CC=C3)C(=O)N1C4=CC=C(C=C4)OC","LTTLKYDRFFFUAB-UHFFFAOYSA-N","3005173",NA,"PDBC10495","679222","Present"
-"1-[3-(6-Aminopurin-9-yl)-2,3-dihydrofuran-2-yl]-2,2-dimethoxy-ethanol","","","","","","","","","","","","","","","","","","","","1-[3-(6-Aminopurin-9-yl)-2,3-dihydrofuran-2-yl]-2,2-dimethoxy-ethanol","","COC(C(C1C(C=CO1)N2C=NC3=C(N=CN=C32)N)O)OC","ZCFFUWUNYKSYAL-UHFFFAOYSA-N","393724",NA,"PDBC10496","696242","Present"
-"1-[3-(Benzenesulfonyl)-3-diazo-2-oxo-propyl]pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","1-Diazonio-3-(2-oxopyrrolidin-1-yl)-1-(phenylsulfonyl)prop-1-en-2-olate","","C1CC(=O)N(C1)CC(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2","GMKSEPSFZTUICR-UHFFFAOYSA-N","373306",NA,"PDBC10497","649453","Present"
-"1-[3-(Benzotriazol-1-ylmethylamino)phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(Benzotriazol-1-ylmethylamino)phenyl]ethanone","","CC(=O)C1=CC(=CC=C1)NCN2C3=CC=CC=C3N=N2","NCTNTDGWEHZVJS-UHFFFAOYSA-N","374217",NA,"PDBC10498","651707","Present"
-"1-[3-(Benzyloxymethyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoxazolidin-5-yl]-5-methyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(N(O2)CCO[Si](C)(C)C(C)(C)C)COCC3=CC=CC=C3","RLOKZRNNBSSAFD-UHFFFAOYSA-N","392544",NA,"PDBC10499","693087","Present"
-"1-[3-(Chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-2-[[2-[3-(chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-2-oxoethyl]-methylamino]ethanone;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[3-(Chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-2-[[2-[3-(chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-2-oxoethyl]-methylamino]ethanone;hydrochloride","","CN(CC(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])CCl)CC(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl.Cl","BSCOPYYUGUUWAQ-UHFFFAOYSA-N","393066",NA,"PDBC10500","694453","Present"
-"1-[3-(Diethylamino)propylamino]-4-methyl-5H-pyridazino[4,5-b]indole","","","","","","","","","","","","","","","","","","","","1-[3-(Diethylamino)propylamino]-4-methyl-5H-pyridazino[4...","","CCN(CC)CCCNC1=C2C3=CC=CC=C3NC2=C(N=N1)C.Cl","DFZIHUAJYDGKTI-UHFFFAOYSA-N","5471483",NA,"PDBC10501","711659","Present"
-"1-[3-(Dimethylamino)-2-hydroxypropyl]-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-[3-(Dimethylamino)-2-hydroxypropyl]-3-phenylurea","","CN(C)CC(CNC(=O)NC1=CC=CC=C1)O","FBXABFFPOOYRTE-UHFFFAOYSA-N","389389",NA,"PDBC10502","685455","Present"
-"1-[3-(Dimethylamino)-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(Dimethylamino)-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl]ethanone","","CC(=O)N1C2C(=NN=C(S2)N(C)C)C3=CC=CC=C31","PTFUMXCUPXYNJH-UHFFFAOYSA-N","384013",NA,"PDBC10503","673117","Present"
-"1-[3-(Dimethylamino)propyl]-3-[(E)-(4-nitrophenyl)methylideneamino]urea","","","","","","","","","","","","","","","","","","","","1-[3-(Dimethylamino)propyl]-3-[(E)-(4-nitrophenyl)methylideneamino]urea","","CN(C)CCCNC(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-]","ALBJHBXGNYENRV-XNTDXEJSSA-N","10334578",NA,"PDBC10504","666460","Present"
-"1-[3-(Dimethylamino)propyl]-3-[(E)-pyridin-2-ylmethylideneamino]urea;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[3-(Dimethylamino)propyl]-3-[(E)-pyridin-2-ylmethylideneamino]urea;hydrochloride","","CN(C)CCCNC(=O)NN=CC1=CC=CC=N1.Cl","QZJVOVPJENIZTF-GYVLLFFHSA-N","9554133",NA,"PDBC10505","662264","Present"
-"1-[3-(Dimethylamino)propyl]-6,7-dimethyl-1H-pyrazolo[3,4-b]quinoxalin-3-amine","","","","","","","","","","","","","","","","","","","","1-(3-Dimethylaminopropyl)-6,7-dimethyl-pyrazolo[5,4-b]quinoxalin-3-amine","","CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3CCCN(C)C)N","VBLQZMJDNYEZPR-UHFFFAOYSA-N","395036",NA,"PDBC10506","699220","Present"
-"1-[3-(Furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(Furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone","","CC(=O)C1=CC(=CC=C1)NC2=C3C=COC3=NC4=CC=CC=C42","JFBYYKNJECRFJQ-UHFFFAOYSA-N","404356",NA,"PDBC10507","720558","Present"
-"1-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone","","CC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","VAGPVTFGSRSZQL-UHFFFAOYSA-N","404362",NA,"PDBC10508","720564","Present"
-"1-[3-(Hydroxymethyl)-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-(Hydroxymethyl)-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-2-yl]ethanone","","CC(=O)N1CC2C(CC1CO)C3=CC=CC=C3N2","LBSAJVDAJJQVTR-UHFFFAOYSA-N","364138",NA,"PDBC10509","629810","Present"
-"1-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole","","","","","","","","","","","","","","","","","","","","1-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole","","C1COC(C1C(Cl)(Cl)Cl)N2C3=CC=CC=C3N=N2","AZWFGWXLPYOQGI-UHFFFAOYSA-N","388083",NA,"PDBC10510","682546","Present"
-"1-[3-Amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[3-Amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidine-2,4-dione","","C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)N)F","FFQIVMIMSJNARO-UHFFFAOYSA-N","363725",NA,"PDBC10511","628903","Present"
-"1-[3-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE","","","","","","","","","","","","","","","","","","","","1-[3-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4-...","","C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C4C(=N3)C(=NN4C5=CC(=CC=C5)Cl)C(=O)C6=CC=CC=C6","UWFBSEVCLAEFEN-UHFFFAOYSA-N","45028002",NA,"PDBC10512","740552","Present"
-"1-[3-Chloro-4-(2-phenylethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 1-[3-chloro-4-(2-phenyl...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=CC=CC=C3)Cl)N)N)C","PJALPVZOEKEDNL-UHFFFAOYSA-N","280520",NA,"PDBC10513","132276","Present"
-"1-[3-Chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[3-Chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride","","CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC=CC=C3)Cl)N)N)C.Cl","OZKRFLRSUHXGBX-UHFFFAOYSA-N","24191814",NA,"PDBC10514","128184","Present"
-"1-[3-Hydroxy-4-[hydroxy-[(4-methoxyphenyl)methyl]amino]-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[3-Hydroxy-4-[hydroxy-[(4-methoxyphenyl)methyl]amino]-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione","","COC1=CC=C(C=C1)CN(C2C(OC(C2O)N3C=C(C(=O)NC3=O)I)CO)O","VVFLZGHRULDWKL-UHFFFAOYSA-N","375108",NA,"PDBC10515","654223","Present"
-"1-[3-Methyl-2-(3-methyl-1H-indol-2-yl)indolin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-Methyl-2-(3-methyl-1H-indol-2-yl)indolin-1-yl]ethanone","","CC1C(N(C2=CC=CC=C12)C(=O)C)C3=C(C4=CC=CC=C4N3)C","GMJDOKYWXPAYTM-UHFFFAOYSA-N","393300",NA,"PDBC10516","694965","Present"
-"1-[3-[(2,3-Dimethoxy-6-nitroacridin-9-yl)amino]propylamino]-2-methylpropan-2-ol;chloride","","","","","","","","","","","","","","","","","","","","1-[3-[(2,3-Dimethoxy-6-nitroacridin-9-yl)amino]propylamino]-2-methylpropan-2-ol;chloride","","CC(C)(CNCCCNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O.[Cl-]","VUTWKJOBQDFUAW-UHFFFAOYSA-M","24182209",NA,"PDBC10517","14657","Present"
-"1-[3-[(2-Chloro-11H-indolo[3,2-c]quinolin-6-yl)amino]phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-{3-[(2-Chloro-11h-indolo[3,2-c]quinolin-6-yl)amino]phenyl}ethanone","","CC(=O)C1=CC(=CC=C1)NC2=NC3=C(C=C(C=C3)Cl)C4=C2C5=CC=CC=C5N4","IFYFXQHQRFCXME-UHFFFAOYSA-N","404610",NA,"PDBC10518","721038","Present"
-"1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3-methyl-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3-methyl-pyrrole-2,5-dione","","CC1=CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=C(C=C3)Cl","ZCBVSOCWVLHPNA-UHFFFAOYSA-N","387579",NA,"PDBC10519","681536","Present"
-"1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]piperidine-2,6-dione","","C1CC(=O)N(C(=O)C1)N2C(=NNC2=O)CC3=CC=C(C=C3)Cl","MKNUBRSVTXCGKP-UHFFFAOYSA-N","388413",NA,"PDBC10520","683295","Present"
-"1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]pyrrolidine-2,5-dione","","C1CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=C(C=C3)Cl","YNWQMRNNNYBZPH-UHFFFAOYSA-N","389505",NA,"PDBC10521","685791","Present"
-"1-[3-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone","","CC(=O)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","YAFZXMZSXFRLPL-UHFFFAOYSA-N","11675057",NA,"PDBC10522","727485","Present"
-"1-[3-[(Z)-[3-(4-Chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propyl]pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","1-[3-[(Z)-[3-(4-Chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propyl]pyrrolidin-2-one","","C1CC(=O)N(C1)CCCN=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl","YBIOLSSAMULSRT-UHFFFAOYSA-N","362144",NA,"PDBC10523","625732","Present"
-"1-[3-[2-Cyanoethyl(methylcarbamoyl)amino]propyl]-3,3-dimethyl-1-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-[3-[2-Cyanoethyl(methylcarbamoyl)amino]propyl]-3,3-dimethyl-1-phenyl-urea","","CNC(=O)N(CCCN(C1=CC=CC=C1)C(=O)N(C)C)CCC#N","IOCMFDMGLCPHJK-UHFFFAOYSA-N","390712",NA,"PDBC10524","688354","Present"
-"1-[3-[2-Cyanoethyl(phenylcarbamoyl)amino]propyl]-1,3,3-triphenyl-urea","","","","","","","","","","","","","","","","","","","","1-[3-[2-Cyanoethyl(phenylcarbamoyl)amino]propyl]-1,3,3-triphenyl-urea","","C1=CC=C(C=C1)NC(=O)N(CCCN(C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)CCC#N","RKNKSJOBWHUXAA-UHFFFAOYSA-N","393231",NA,"PDBC10525","694858","Present"
-"1-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5","CHIRQGSMASSQAS-UHFFFAOYSA-N","46912850",NA,"PDBC10526","749646","Present"
-"1-[3-[4-(2-Dimethylaminoethyloxy)phenyl]-2-phenyl-indolizin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-(3-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-indolizinyl)ethanone","","CC(=O)C1=C2C=CC=CN2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)OCCN(C)C","OXHINCBUDCYLRH-UHFFFAOYSA-N","389732",NA,"PDBC10527","686323","Present"
-"1-[3-[4-[3-[(9-Oxothioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one","","","","","","","","","","","","","","","","","","","","1-[3-[4-[3-[(9-Oxothioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one","","C1CN(CCN1CCCNC2=C3C(=CC=C2)SC4=CC=CC=C4C3=O)CCCNC5=C6C(=CC=C5)SC7=CC=CC=C7C6=O","IQTSIYNQGUDMSN-UHFFFAOYSA-N","354499",NA,"PDBC10528","606457","Present"
-"1-[3-[6-(Benzenesulfonyl)hex-4-ynoxy]prop-1-ynyl]-2-[3-(benzenesulfonyl)prop-1-ynyl]benzene","","","","","","","","","","","","","","","","","","","","1-[3-[6-(Benzenesulfonyl)hex-4-ynoxy]prop-1-ynyl]-2-[3-(benzenesulfonyl)prop-1-ynyl]benzene","","C1=CC=C(C=C1)S(=O)(=O)CC#CCCCOCC#CC2=CC=CC=C2C#CCS(=O)(=O)C3=CC=CC=C3","ZHIGRRNZMQIZGY-UHFFFAOYSA-N","24203526",NA,"PDBC10529","728450","Present"
-"1-[3-[Bis(4-methoxyphenyl)-phenylmethyl]sulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[3-[Bis(4-methoxyphenyl)-phenylmethyl]sulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)SC4C(C(OC4N5C=CC(=O)NC5=O)CO)O","BXSAVHWCMLTUKC-UHFFFAOYSA-N","401180",NA,"PDBC10530","714381","Present"
-"1-[3-[Carbamoyl(2-cyanoethyl)amino]propyl]-3-[4-[[3-[carbamoyl(2-cyanoethyl)amino]propyl-phenyl-carbamoyl]amino]phenyl]-1-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-[3-[Carbamoyl(2-cyanoethyl)amino]propyl]-3-[4-[[3-[carbamoyl(2-cyanoethyl)amino]propyl-phenylcarbamoyl]amino]phenyl]-1-phenylurea","","C1=CC=C(C=C1)N(CCCN(CCC#N)C(=O)N)C(=O)NC2=CC=C(C=C2)NC(=O)N(CCCN(CCC#N)C(=O)N)C3=CC=CC=C3","TYWINWSATHJBSM-UHFFFAOYSA-N","393232",NA,"PDBC10531","694859","Present"
-"1-[3-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","1-[3-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCCN6CCCC6=O","IIBZXEMUIIKKNS-XUGQPUMOSA-N","374334",NA,"PDBC10532","651858","Present"
-"1-[3-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[3-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one;hydrochloride","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCCN6CCCC6=O.Cl","JNYKXOOOXMTHRT-IQRISIDTSA-N","374335",NA,"PDBC10533","651859","Present"
-"1-[4'-(1-Hydroxyethyl)-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4-yl]ethanol","","","","","","","","","","","","","","","","","","","","1-[4'-(1-Hydroxyethyl)-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4-yl]ethanol","","CC(C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(C)O)O","ZHTIYCLFXYIHRK-UHFFFAOYSA-N","382761",NA,"PDBC10534","670439","Present"
-"1-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]pyrrolidine","","","","","","","","","","","","","","","","","","","","1-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]pyrrolidine","","CC1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C(O2)(C)C)N5CCCC5","RGTNXPYETOQWBX-UHFFFAOYSA-N","403564",NA,"PDBC10535","718588","Present"
-"1-[4,5-Bis(hydroxymethyl)tetrahydrothiophen-2-yl]-5-ethyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","NSC683336///NSC683337","","CCC1=CN(C(=O)NC1=O)C2CC(C(S2)CO)CO","DAGGSMRONFTFTG-UHFFFAOYSA-N","388428",NA,"PDBC10536","683336///683337","Present"
-"1-[4,5-Dihydroxy-1,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4,5-Dihydroxy-1,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4(1H,3H)-dione","","C1=CN(C(=O)NC1=O)C2(C=C(C(C2O)O)CO)CO","QCRJKGMDJACIFO-UHFFFAOYSA-N","366733",NA,"PDBC10537","635455","Present"
-"1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-4-hydroxypyridin-2-one","","","","","","","","","","","","","","","","","","","","1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-2-hydroxypyridin-4(1H)-one","","C1=CN(C(=O)C=C1O)C2C=C(C(C2O)O)CO","YLCXMFVBJWZLPP-UHFFFAOYSA-N","54676243",NA,"PDBC10538","627960","Present"
-"1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxy-1,3,5-triazin-2-one","","","","","","","","","","","","","","","","","","","","1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxy-1,3,5-triazin-2(1H)-one","","COC1=NC(=O)N(C=N1)C2C=C(C(C2O)O)CO","QJILVROEIMWXGZ-UHFFFAOYSA-N","366731",NA,"PDBC10539","635453","Present"
-"1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2(1H)-one","","C1=CN(C(=O)N=C1)C2C=C(C(C2O)O)CO","XLZQKAGRWVHGNV-UHFFFAOYSA-N","369677",NA,"PDBC10540","641701","Present"
-"1-[4,5-Dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4,5-Dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidine-2,4-dione","","C1C(C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O)O","ABSZGUKVQXZPRF-UHFFFAOYSA-N","251487",NA,"PDBC10541","71903","Present"
-"1-[4,5-Dimethyl-2-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","Thiourea, N,N''-(4,5-dimethyl-1,2-phenylene)bis[N-phenyl-","","CC1=CC(=C(C=C1C)NC(=S)NC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3","VQAAMPPTIUBDBG-UHFFFAOYSA-N","4329919",NA,"PDBC10542","176392","Present"
-"1-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)phenyl]ethanone","","CC(=O)C1=CC=C(C=C1)NC2=C3CCCCC3=NC4=CC=CC=C42","LISOWNMDDONOPL-UHFFFAOYSA-N","394839",NA,"PDBC10543","698691","Present"
-"1-[4-(1-Hydroxyethyl)-6-methoxypyridazin-3-yl]sulfonylpropan-2-ol","","","","","","","","","","","","","","","","","","","","1-{[4-(1-Hydroxyethyl)-6-methoxypyridazin-3-yl]sulfonyl}propan-2-ol","","CC(CS(=O)(=O)C1=NN=C(C=C1C(C)O)OC)O","SSNFSNALWXNYNT-UHFFFAOYSA-N","396911",NA,"PDBC10544","704090","Present"
-"1-[4-(1H-Benzimidazol-2-yl)phenyl]-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","1-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-9H-pyrido[3,4-b]i...","","C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","RAQMWBULFUWQMJ-UHFFFAOYSA-N","137656174",NA,"PDBC10545","787818","Present"
-"1-[4-(2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","2,3,4,9-Tetrahydro-1-(4-(2,3,4,9-tetrahydro-1H-pyrido[3,...","","C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)C5C6=C(CCN5)C7=CC=CC=C7N6","GJTGJNVSYAVKRP-UHFFFAOYSA-N","137634255",NA,"PDBC10546","789291","Present"
-"1-[4-(2,4-Difluorophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone","","","","","","","","","","","","","","","","","","","","1-[4-(2,4-Difluorophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone","","C1=CC=C(C=C1)P(=CC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)F)F)(C4=CC=CC=C4)C5=CC=CC=C5","YWKBQJDRPHVPBC-UHFFFAOYSA-N","403595",NA,"PDBC10547","718648","Present"
-"1-[4-(2-Chlorophenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol","","","","","","","","","","","","","","","","","","","","1-[4-(2-Chlorophenyl)piperazin-1-yl]-3-(1-naphthyloxy)propan-2-ol","","C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=C4Cl","DYMSKKWHGDKENB-UHFFFAOYSA-N","260308",NA,"PDBC10548","91396","Present"
-"1-[4-(2-Hydroxyphenyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenyl-ethanone","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(2-hydroxy- ph...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)CC4=CC=CC=C4","DXZPNEPIKKHWDD-UHFFFAOYSA-N","376456",NA,"PDBC10549","657370","Present"
-"1-[4-(2-Thienyl)phenyl]-2-(triphenylphosphoranylidene)ethanone","","","","","","","","","","","","","","","","","","","","1-[4-(2-Thienyl)phenyl]-2-(triphenylphosphoranylidene)ethanone","","C1=CC=C(C=C1)P(=CC(=O)C2=CC=C(C=C2)C3=CC=CS3)(C4=CC=CC=C4)C5=CC=CC=C5","GTAJKXZJYWUXMB-UHFFFAOYSA-N","403100",NA,"PDBC10550","717572","Present"
-"1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-(3-hydroxyphenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-(3-hydroxyphenyl)thiourea","","CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)O","NBVNBTRMNQQKNM-UHFFFAOYSA-N","3004452",NA,"PDBC10551","656360","Present"
-"1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea","","CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC3C(C(C(C(O3)CO)O)O)O","MXIOOCRCWIRPLO-UHFFFAOYSA-N","3004453",NA,"PDBC10552","656362","Present"
-"1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-pyrazin-2-yl-thiourea","","","","","","","","","","","","","","","","","","","","1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-pyrazin-2-yl-thiourea","","CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC3=NC=CN=C3","IRSVPNOYCCTXCG-UHFFFAOYSA-N","3001015",NA,"PDBC10553","656358","Present"
-"1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-pyrimidin-2-yl-thiourea","","","","","","","","","","","","","","","","","","","","1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-pyrimidin-2-yl-thiourea","","CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC3=NC=CC=N3","QPUFOGKHBLQGSH-UHFFFAOYSA-N","3004451",NA,"PDBC10554","656359","Present"
-"1-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonyl-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","1-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonyl-3-phenylthiourea","","CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC5=CC=CC=C5","KMLYNLXPQGJHFN-UHFFFAOYSA-N","24203721",NA,"PDBC10555","729200","Present"
-"1-[4-(3-Nitrophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone","","","","","","","","","","","","","","","","","","","","1-[4-(3-Nitrophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone","","C1=CC=C(C=C1)P(=CC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5","DIHZBNKWFFGVJG-UHFFFAOYSA-N","403594",NA,"PDBC10556","718647","Present"
-"1-[4-(4-Chlorophenoxy)phenyl]-3-(diethylamino)propan-1-one","","","","","","","","","","","","","","","","","","","","1-[4-(4-Chlorophenoxy)phenyl]-3-(diethylamino)propan-1-one hydrochloride","","CCN(CC)CCC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl.Cl","INXRHPSFTNIISZ-UHFFFAOYSA-N","387868",NA,"PDBC10557","682077","Present"
-"1-[4-(4-Chlorophenyl)-3-cyanothiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]urea","","","","","","","","","","","","","","","","","","","","1-(4-(4-chlorophenyl)-3-cyanothiophen-2-yl)-3-(3-(triflu...","","C1=CC(=CC(=C1)NC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C#N)C(F)(F)F","WYTHTAGNCQQVRI-UHFFFAOYSA-N","155808567",NA,"PDBC10558","788516","Present"
-"1-[4-(4-Chlorophenyl)-3-cyanothiophen-2-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea","","","","","","","","","","","","","","","","","","","","1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-chlorophe...","","C1=CC(=CC=C1C2=CSC(=C2C#N)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)Cl","JHHNAHWIIHRBKV-UHFFFAOYSA-N","155810743",NA,"PDBC10559","785510","Present"
-"1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol","","","","","","","","","","","","","","","","","","","","1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol","","CC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O","ZDDFFRJBIPXMRV-UHFFFAOYSA-N","260272",NA,"PDBC10560","91357","Present"
-"1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol","","","","","","","","","","","","","","","","","","","","1-Piperazineethanol, 4-(p-chlorophenyl)-.alpha.-[1-napht...","","C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=C(C=C4)Cl","LNTLXTBBTXSOSV-UHFFFAOYSA-N","260309",NA,"PDBC10561","91397","Present"
-"1-[4-(4-Dimethylaminophenyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenyl-ethanone","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-[(4- (dimethyl...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)N(C)C)C(=O)CC4=CC=CC=C4","LSAHWHZGKYTPTJ-UHFFFAOYSA-N","376464",NA,"PDBC10562","657378","Present"
-"1-[4-(4-Ethylpiperazin-1-yl)phenyl]-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(4-(4-ethylpiperazin-1-yl)phenyl)-3-(6-(2-methoxypheny...","","CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=NC4=C(S3)C=C(C=C4)C5=CC=CC=C5OC","GVDITXYBNSCBHO-UHFFFAOYSA-N","155816585",NA,"PDBC10563","795187","Present"
-"1-[4-(4-Fluorophenoxy)phenyl]-3-morpholino-propan-1-one","","","","","","","","","","","","","","","","","","","","1-[4-(4-Fluorophenoxy)phenyl]-3-morpholin-4-ylpropan-1-one hydrochloride","","C1COCCN1CCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F.Cl","GRSAYNATBUKEEW-UHFFFAOYSA-N","390070",NA,"PDBC10564","687007","Present"
-"1-[4-(4-Fluorophenoxy)phenyl]-3-pyrrolidin-1-yl-propan-1-one","","","","","","","","","","","","","","","","","","","","1-[4-(4-Fluorophenoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-one hydrochloride","","C1CCN(C1)CCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F.Cl","GLGKOIPJSLBXMF-UHFFFAOYSA-N","390486",NA,"PDBC10565","687856","Present"
-"1-[4-(4-Methoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium;sulfuric acid","","","","","","","","","","","","","","","","","","","","Piperidinium, 1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylide...","","COC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)S2.OS(=O)(=O)O","RDJLUIFSKVLPNL-UHFFFAOYSA-N","327415",NA,"PDBC10566","302358","Present"
-"1-[4-(6-Methylbenzothiazole-2-yl)phenyl]-2,6-dimethyl-5-(4-fluorophenyl)pyrimidine-4(1H)-one","","","","","","","","","","","","","","","","","","","","1-[4-(6-Methylbenzothiazole-2-yl)phenyl]-2,6-dimethyl-5-(4-fluorophenyl)pyrimidine-4(1H)-one","","CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=C(C(=O)N=C4C)C5=CC=C(C=C5)F)C","MRQCQBXRJAVLCL-UHFFFAOYSA-N","402133",NA,"PDBC10567","715990","Present"
-"1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea","","CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=O)C2=CC=CC=C2","QPPVOPRCFMANPP-UHFFFAOYSA-N","3005191",NA,"PDBC10568","681621","Present"
-"1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea","","C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=O)C3=CC=CC=C3","LAHSMRAWLZVJCL-UHFFFAOYSA-N","3005193",NA,"PDBC10569","681623","Present"
-"1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea","","CCCCNC(=S)NC1=NC(=CS1)C(=O)NNS(=O)(=O)C2=CC=CC=C2","QTSZBVMCGUDLCG-UHFFFAOYSA-N","3005190",NA,"PDBC10570","681620","Present"
-"1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea","","C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNS(=O)(=O)C3=CC=CC=C3","MBUZPQGGSYLBAA-UHFFFAOYSA-N","3005192",NA,"PDBC10571","681622","Present"
-"1-[4-(Diethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-(Diethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CCN(CC)C1CC(OC1CO)N2C=C(C(=O)NC2=O)C","DBHLCYAVHKWMOH-UHFFFAOYSA-N","372770",NA,"PDBC10572","648390","Present"
-"1-[4-(Diethylamino)phenyl]-3-(dimethylamino)thiourea","","","","","","","","","","","","","","","","","","","","1-[4-(Diethylamino)phenyl]-3-(dimethylamino)thiourea","","CCN(CC)C1=CC=C(C=C1)NC(=S)NN(C)C","JMJKJDJBRXLEKH-UHFFFAOYSA-N","3004639",NA,"PDBC10573","659178","Present"
-"1-[4-(Dimethylamino)butyl]-4,3-f]i ndole-5,10-dione","","","","","","","","","","","","","","","","","","","","1-[4-(dimethylamino)butyl]-4,11-dihydroxy-1H-naphtho[2,3...","","CN(C)CCCCN1C=CC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O","JOFDTDTYNVMMRI-UHFFFAOYSA-N","406507",NA,"PDBC10574","724634","Present"
-"1-[4-(Dimethylamino)pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-[4-(Dimethylamino)pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid","","CN(C)C1=CC(=NC=C1)C(=O)N2CCCC2C(=O)O","NWGLMJXLUJHRSY-UHFFFAOYSA-N","386440",NA,"PDBC10575","678408","Present"
-"1-[4-(Dipropylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[4-(Dipropylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;hydrochloride","","CCCN(CCC)C1CC(OC1CO)N2C=C(C(=O)NC2=O)C.Cl","PWLZTAWCXCXARN-UHFFFAOYSA-N","372772",NA,"PDBC10576","648392","Present"
-"1-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone","","CC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","LOVKQCYLYQTTRO-UHFFFAOYSA-N","404358",NA,"PDBC10577","720560","Present"
-"1-[4-(Hydrazinecarbonyl)phenyl]triazole-4,5-dicarbohydrazide","","","","","","","","","","","","","","","","","","","","1-[4-(Hydrazinecarbonyl)phenyl]triazole-4,5-dicarbohydrazide","","C1=CC(=CC=C1C(=O)NN)N2C(=C(N=N2)C(=O)NN)C(=O)NN","UHROECAAMYMOAW-UHFFFAOYSA-N","386605",NA,"PDBC10578","679058","Present"
-"1-[4-(Trifluoromethyl)phenyl]-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(4-(trifluoromethyl)phenyl)-3-(4-(3,4,5-trimethoxyphen...","","COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F","CYGVCHYLMAKYRL-UHFFFAOYSA-N","155810746",NA,"PDBC10579","789270","Present"
-"1-[4-Amino-5-[8-[4-amino-5-(2-hydroxy-1-naphthyl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-[4-Amino-5-[8-[4-amino-5-(2-hydroxynaphthalen-1-yl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]naphthalen-2-ol","","C1=CC=C2C(=C1)C=CC(=C2C3=NN=C(N3N)CCCCCCCCC4=NN=C(N4N)C5=C(C=CC6=CC=CC=C65)O)O","MPXITNOPPVQMDA-UHFFFAOYSA-N","382827",NA,"PDBC10580","670563","Present"
-"1-[4-Azido-5-(hydroxymethyl)oxolan-2-yl]-3-(4-bromobutyl)-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-Azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-(4-bromobutyl)-5-methyl-pyrimidine-2,4-dione","","CC1=CN(C(=O)N(C1=O)CCCCBr)C2CC(C(O2)CO)N=[N+]=[N-]","VNLZHFGIBSIFIB-UHFFFAOYSA-N","397325",NA,"PDBC10581","704881","Present"
-"1-[4-Azido-5-(hydroxymethyl)oxolan-2-yl]-3-(4-hydroxybutyl)-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-Azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-(4-hydroxybutyl)-5-methyl-pyrimidine-2,4-dione","","CC1=CN(C(=O)N(C1=O)CCCCO)C2CC(C(O2)CO)N=[N+]=[N-]","JPGYCFTWHZBFGP-UHFFFAOYSA-N","397326",NA,"PDBC10582","704882","Present"
-"1-[4-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE","","","","","","","","","","","","","","","","","","","","1-[4-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4-...","","C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C4C(=N3)C(=NN4C5=CC=C(C=C5)Cl)C(=O)C6=CC=CC=C6","LULPLICQKBZFMK-UHFFFAOYSA-N","45028003",NA,"PDBC10583","740553","Present"
-"1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(3,4,5-trime...","","COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F","QDKXTTHAMDGYRM-UHFFFAOYSA-N","155815473",NA,"PDBC10584","785508","Present"
-"1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea","","","","","","","","","","","","","","","","","","","","4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-5-(4...","","COC1=CC=C(C=C1)C2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)N)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","IAGLNMAIIBVBIG-UHFFFAOYSA-N","155813704",NA,"PDBC10585","795332","Present"
-"1-[4-Chloro-3-nitrophenyl]-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(4-Chloro-3-nitrophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]","MOUAFIJXFJXMHU-UHFFFAOYSA-N","362625",NA,"PDBC10586","626766","Present"
-"1-[4-Diethoxyphosphoryl-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","NSC677991///1-[4-Diethoxyphosphoryl-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CCOP(=O)(C1CC(OC1CO)N2C=C(C(=O)NC2=O)C)OCC","WXAYOHUTNOMJOM-UHFFFAOYSA-N","386249",NA,"PDBC10587","677991///677992","Present"
-"1-[4-Ethoxycarbonyl)homopiperazine-1-yl]diazen-1-ium-1,2-dio late.","","","","","","","","","","","","","","","","","","","","1-[4-Ethoxycarbonyl)homopiperazine-1-yl]diazen-1-ium-1,2...","","CCOC(=O)N1CCCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]","CBRJDKTVZPKXFR-HKWRFOASSA-N","11567470",NA,"PDBC10588","731704","Present"
-"1-[4-Hydroxy-3-methoxy-5-(4-methoxy-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]ethane-1,2-diol","","","","","","","","","","","","","","","","","","","","1-[4-Hydroxy-3-methoxy-5-(4-methoxy-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]ethane-1,2-diol","","COC1C(C(OC1C(CO)O)N2C3=C(C=N2)C(=NC(=N3)SC)OC)O","ZDKDXBYCVFDSPK-UHFFFAOYSA-N","359456",NA,"PDBC10589","620321","Present"
-"1-[4-Hydroxy-5-(hydroxymethyl)-3-phenylselanyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-Hydroxy-5-(hydroxymethyl)-3-phenylselanyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione","","C1=CC=C(C=C1)[Se]C2C(C(OC2N3C=CC(=O)NC3=O)CO)O","FDVQDKKPZOYSHN-UHFFFAOYSA-N","387260",NA,"PDBC10590","680841","Present"
-"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-oxo-3-phenylprop-1-ynyl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-oxo-3-phenylprop-1-ynyl)pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC(=O)C3=CC=CC=C3)CO)O","MLHIXYLZGOZMAD-UHFFFAOYSA-N","376342",NA,"PDBC10591","657174","Present"
-"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(2-methylphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(2-methylphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione","","CC1=CC=CC=C1C(=O)C#CC2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O","PVCLCZPXFXCJES-UHFFFAOYSA-N","376345",NA,"PDBC10592","657177","Present"
-"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(4-methoxyphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(4-methoxyphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione","","COC1=CC=C(C=C1)C(=O)C#CC2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O","DDGLCXXZOJBUFI-UHFFFAOYSA-N","376344",NA,"PDBC10593","657176","Present"
-"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(4-methylphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(4-methylphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione","","CC1=CC=C(C=C1)C(=O)C#CC2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O","FYJARRVFXQLJQC-UHFFFAOYSA-N","376343",NA,"PDBC10594","657175","Present"
-"1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-7-(4-phenylphenyl)pteridin-2-one","","","","","","","","","","","","","","","","","","","","1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-7-(4-phenylphenyl)pteridin-2-one","","C1C(C(OC1N2C3=NC(=CN=C3C(=NC2=O)N)C4=CC=C(C=C4)C5=CC=CC=C5)CO)O","YJJXVFBNOUATSD-UHFFFAOYSA-N","387289",NA,"PDBC10595","680983","Present"
-"1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphtho[2,3-g]pteridine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphtho[2,3-g]pteridine-2,4-dione","","C1C(C(OC1N2C3=NC4=CC5=CC=CC=C5C=C4N=C3C(=O)NC2=O)CO)O","VLALGVDYALURRM-UHFFFAOYSA-N","387290",NA,"PDBC10596","680984","Present"
-"1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[3,2-c]pyridin-4-ol","","","","","","","","","","","","","","","","","","","","1H-Pyrrolo[3,2-c]pyridin-4(5H)-one, 1-(2-deoxy-B- D-ribo...","","C1C(C(OC1N2C=CC3=C2C=CNC3=O)CO)O","UALQFXHTDJTTDP-UHFFFAOYSA-N","363431",NA,"PDBC10597","628342","Present"
-"1-[4-METHOXYPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE","","","","","","","","","","","","","","","","","","","","1-[4-METHOXYPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4...","","COC1=CC=C(C=C1)N2C3=NC4=NC(=CC(=O)N4N=C3C(=N2)C(=O)C5=CC=CC=C5)C6=CC=CC=C6","YXBZASQNWBKQOG-UHFFFAOYSA-N","45028004",NA,"PDBC10598","740554","Present"
-"1-[4-[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]butyl]-5,10-dihydroxynaphtho[2,3-f]indole-4,11-dione","","","","","","","","","","","","","","","","","","","","4,11-dihydroxy-1-[4-[[2-hydroxy-1-(hydroxymethyl)-1-meth...","","CC(CO)(CO)NCCCCN1C=CC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O","XKBZKSAZOWSJOR-UHFFFAOYSA-N","406504",NA,"PDBC10599","724631","Present"
-"1-[4-[(10-Oxidoacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-[4-[(10-Oxidoacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","RYPHBQJTSJNOAY-UHFFFAOYSA-N","494616",NA,"PDBC10600","627897","Present"
-"1-[4-[(2,5-Dihydroxyphenyl)methylamino]phenyl]ethanone","","","","","","","","","","","","","","","","","","","","Acetophenone, 4'-[[2,5-dihydroxyphenyl)methyl]amino]-","","CC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","XOGKCEFOHLEFQU-UHFFFAOYSA-N","391132",NA,"PDBC10601","689858","Present"
-"1-[4-[(2-Imidazol-1-ylquinolin-4-yl)amino]phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[(2-Imidazol-1-ylquinolin-4-yl)amino]phenyl]ethanone","","CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)N4C=CN=C4","FLYUHVCBHQDMMN-UHFFFAOYSA-N","24203274",NA,"PDBC10602","727476","Present"
-"1-[4-[(2-Methoxy-6-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-[4-[(2-Methoxy-6-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine","","COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","WVIUXTCGGOVNHQ-UHFFFAOYSA-N","391143",NA,"PDBC10603","689869","Present"
-"1-[4-[(2-Methylbenzimidazol-1-yl)methyl]phenyl]-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","1-[4-[(2-Methylbenzimidazol-1-yl)methyl]phenyl]-3-phenylthiourea","","CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4","QMBZZYNACTZEQY-UHFFFAOYSA-N","5470588",NA,"PDBC10604","703135","Present"
-"1-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)urea","","","","","","","","","","","","","","","","","","","","1-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)urea","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(F)(F)F)C","KYYKFZMKHPTGLP-UHFFFAOYSA-N","383652",NA,"PDBC10605","672070","Present"
-"1-[4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea","","","","","","","","","","","","","","","","","","","","1-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)...","","CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=NC(=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(F)(F)F","XBYMHWANOFCUQN-UHFFFAOYSA-N","155805864",NA,"PDBC10606","788519","Present"
-"1-[4-[(5-Methoxy-3-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-[[4-[(4-Methoxy-6-nitroacridin-9-yl)amino]phenyl]sulfonyl]guanidine","","COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)[N+](=O)[O-]","JSHPTMNRVMYUMR-UHFFFAOYSA-N","391138",NA,"PDBC10607","689864","Present"
-"1-[4-[(6-Chloro-9-oxo-xanthen-4-yl)methylamino]phenyl]sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-[4-[(6-Chloro-9-oxo-xanthen-4-yl)methylamino]phenyl]sulfonylguanidine","","C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","PZBLCALEQYSUTH-UHFFFAOYSA-N","391387",NA,"PDBC10608","690560","Present"
-"1-[4-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone","","CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","REFRFEOKNCSIRR-UHFFFAOYSA-N","11523527",NA,"PDBC10609","727472","Present"
-"1-[4-[(8-Hydroxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[(8-Hydroxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone","","CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4","LSYWEUUKZDERGX-UHFFFAOYSA-N","24205367",NA,"PDBC10610","735318","Present"
-"1-[4-[(E)-N-(Diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]urea;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[4-[(E)-N-(Diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]urea;hydrochloride","","CCC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=NN=C(N)N)CC.Cl","XLJJSLPTPPLFKM-COHKWDRDSA-N","54600368",NA,"PDBC10611","181500","Present"
-"1-[4-[2-(4-Chlorophenyl)ethenyl]phenyl]-2-(dimethylamino)ethanol","","","","","","","","","","","","","","","","","","","","1-[4-[(E)-2-(4-Chlorophenyl)ethenyl]phenyl]-2-(dimethylamino)ethanol","","CN(C)CC(C1=CC=C(C=C1)C=CC2=CC=C(C=C2)Cl)O","KBGPTRHFMZERIT-ONEGZZNKSA-N","5929908",NA,"PDBC10612","26037","Present"
-"1-[4-[2-Oxo-3-(thiiran-2-ylmethyl)benzimidazol-1-yl]butyl]-3-(thiiran-2-ylmethyl)benzimidazol-2-one","","","","","","","","","","","","","","","","","","","","1-[4-[2-Oxo-3-(thiiran-2-ylmethyl)benzimidazol-1-yl]butyl]-3-(thiiran-2-ylmethyl)benzimidazol-2-one","","C1C(S1)CN2C3=CC=CC=C3N(C2=O)CCCCN4C5=CC=CC=C5N(C4=O)CC6CS6","SCZLLUZRTMKFMB-UHFFFAOYSA-N","374920",NA,"PDBC10613","653505","Present"
-"1-[4-[2-[4-(5,6-Diphenyl-1,2,4-triazine-3-yl)piperazine-1-yl]-2-oxoethyl]piperazine-1-yl]-4-chlorobenzene","","","","","","","","","","","","","","","","","","","","2-[4-(4-Chlorophenyl)piperazin-1-yl]-1-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)piperazin-1-yl]ethanone","","C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl","KPSKRQKQQMAHFZ-UHFFFAOYSA-N","54612995",NA,"PDBC10614","749160","Present"
-"1-[4-[2-[4-(5,6-Diphenyl-1,2,4-triazine-3-yl)piperazine-1-yl]-2-oxoethyl]piperazine-1-yl]-4-methoxybenzene","","","","","","","","","","","","","","","","","","","","1-[4-(5,6-Diphenyl-1,2,4-triazin-3-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone","","COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6","VPGTZPMVDPYMFG-UHFFFAOYSA-N","54612996",NA,"PDBC10615","749161","Present"
-"1-[4-[2-[4-[2-Hydroxy-3-(2,4,4-trimethylpentan-2-ylamino)propoxy]phenyl]propan-2-yl]phenoxy]-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propanol, 1,1'-[(1-methylethylidene)bis(4,1-phenyleneo...","","CC(C)(C)CC(C)(C)NCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(CNC(C)(C)CC(C)(C)C)O)O.Cl","ZEBSJHGFNKTDIN-UHFFFAOYSA-N","5351240",NA,"PDBC10616","145366","Present"
-"1-[4-[2-[4-[2-Hydroxy-3-(2-methylpropylamino)propoxy]phenyl]propan-2-yl]phenoxy]-3-(2-methylpropylamino)propan-2-ol","","","","","","","","","","","","","","","","","","","","3,3'-((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(1...","","CC(C)CNCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(CNCC(C)C)O)O","ZNVOIJSFPMJPAS-UHFFFAOYSA-N","155812080",NA,"PDBC10617","793601","Present"
-"1-[4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea","","","","","","","","","","","","","","","","","","","","1-[4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea","","C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(C4CC5=CC=CC=C5C4=N3)C6=CC=C(C=C6)Cl","SGXJLOLOIVPAEO-UHFFFAOYSA-N","16046109",NA,"PDBC10618","732734","Present"
-"1-[4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","1-[4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylthiourea","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC5=CC=CC=C5)C6=CC=C(C=C6)Cl","DLOADQMLOBPIEV-UHFFFAOYSA-N","24204753",NA,"PDBC10619","732735","Present"
-"1-[4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea","","","","","","","","","","","","","","","","","","","","1-[4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea","","C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(=C4CC5=CC=CC=C5C4=N3)C6=CC=C(C=C6)Cl","SWDFYMAJVBVZJQ-UHFFFAOYSA-N","24204755",NA,"PDBC10620","732737","Present"
-"1-[4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-[4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea","","C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6","GGRIZADTFDPUQU-UHFFFAOYSA-N","24204754",NA,"PDBC10621","732736","Present"
-"1-[4-[3-(4-Methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-[4-[3-(4-Methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea","","CC1=CC=C(C=C1)C2C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6","HYEMBRXHDQGLMS-UHFFFAOYSA-N","24204759",NA,"PDBC10622","732741","Present"
-"1-[4-[3-(4-Methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-[4-[3-(4-Methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea","","CC1=CC=C(C=C1)C2=C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6","WJVZYONZWILBNX-UHFFFAOYSA-N","24204769",NA,"PDBC10623","732751","Present"
-"1-[4-[4-(2,4-Dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","s-Triazine, 4,6-diamino-1-[p-[4-(2,4-dichlorophenyl)buty...","","CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)Cl)N)N)C.Cl","ZNKIWQHTKCGLGS-UHFFFAOYSA-N","5351219",NA,"PDBC10624","104129","Present"
-"1-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]ethanone","","CC(=O)N1CCN(CC1)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42","UPGZTEULWWKXKO-UHFFFAOYSA-N","385584",NA,"PDBC10625","676881","Present"
-"1-[4-[4-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-[4-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=CC(=O)NC4=O","MFFOUDZYFVDVOU-UHFFFAOYSA-N","392022",NA,"PDBC10626","691821","Present"
-"1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=C(C(=O)NC4=O)Br","XVLYFZIEZDAANU-UHFFFAOYSA-N","392025",NA,"PDBC10627","691824","Present"
-"1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)Br","RPVNLFGWKDRYBS-UHFFFAOYSA-N","392021",NA,"PDBC10628","691820","Present"
-"1-[4-[4-[(5-Chloro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-[4-[(5-Chloro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)Cl","OAIKOHKGTMGNDO-UHFFFAOYSA-N","392018",NA,"PDBC10629","691817","Present"
-"1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=C(C(=O)NC4=O)F","VDSDTQDTHYFABG-UHFFFAOYSA-N","392024",NA,"PDBC10630","691823","Present"
-"1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)F","MIWPHKKTILHSTN-UHFFFAOYSA-N","392020",NA,"PDBC10631","691819","Present"
-"1-[4-[4-[(5-Iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-[4-[(5-Iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)I","NKMNFFRSQATFHI-UHFFFAOYSA-N","392019",NA,"PDBC10632","691818","Present"
-"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone","","C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC(=C(N=N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=CC=C6","OXJLPYLXJMWIGV-UHFFFAOYSA-N","54613117",NA,"PDBC10633","749148","Present"
-"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone","","COC1=CC=CC(=C1)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC(=C(N=N4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","HLSPGGPBIHDDCB-UHFFFAOYSA-N","54613005",NA,"PDBC10634","749150","Present"
-"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone","","C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC(=C(N=N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","OWBRIGFKHWBCHW-UHFFFAOYSA-N","54613006",NA,"PDBC10635","749151","Present"
-"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone","","COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC(=C(N=N4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","NXJCEXUJDIZLLX-UHFFFAOYSA-N","54613007",NA,"PDBC10636","749152","Present"
-"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone","","COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=O)CN4CCN(CC4)C5=CC=CC=C5)C6=CC=C(C=C6)OC","ZWLWZUGHMCTDGR-UHFFFAOYSA-N","54613114",NA,"PDBC10637","749145","Present"
-"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone","","COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=O)CN4CCN(CC4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC","ATKCICUHWIRZCD-UHFFFAOYSA-N","54613115",NA,"PDBC10638","749146","Present"
-"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone","","COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=O)CN4CCN(CC4)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC","AVFSPFLOCZOTLX-UHFFFAOYSA-N","54613116",NA,"PDBC10639","749147","Present"
-"1-[4-[6-(4-Acetylpiperazin-1-yl)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-yl]piperazin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[6-(4-Acetylpiperazin-1-yl)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-yl]piperazin-1-yl]ethanone","","CC(=O)N1CCN(CC1)C23C4C5CC6C4C(O2)(C7C6C5C37)N8CCN(CC8)C(=O)C","CEAFPVZMJUEATR-UHFFFAOYSA-N","385833",NA,"PDBC10640","677230","Present"
-"1-[4-[Benzyl(hydroxy)amino]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","NSC656908///1-[4-[Benzyl(hydroxy)amino]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)N(CC3=CC=CC=C3)O","BMEUEPIPSAKFEZ-UHFFFAOYSA-N","376228",NA,"PDBC10641","656908///656909","Present"
-"1-[4-[Bis(2-hydroxyethyl)amino]-butyl]-4,3-f]indole-5,10-dione","","","","","","","","","","","","","","","","","","","","1-[4-[bis(2-hydroxyethyl)amino]-butyl]-4,11-dihydroxy-1H...","","C1=CC=C2C(=C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CN4CCCCN(CCO)CCO)O","KQGMLVWBXDSKSQ-UHFFFAOYSA-N","406503",NA,"PDBC10642","724630","Present"
-"1-[4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione","","CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O[Si](C)(C)C(C)(C)C","XTEPBIUQFMKCPD-UHFFFAOYSA-N","388209",NA,"PDBC10643","682803","Present"
-"1-[4-[[1-Chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine","","","","","","","","","","","","","","","","","","","","2-[4-[[1-Chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine","","C1CN(CCN1CCO)C(=O)C2=CC=C(C3=C(C4=CC=CC=C4N=C23)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N)Cl","FSLWJEIQOOQUGP-UHFFFAOYSA-N","370676",NA,"PDBC10644","644052","Present"
-"1-[4-[[2-(Benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[[2-(Benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethanone","","CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4","LKUVKOSDQSURPE-UHFFFAOYSA-N","24203257",NA,"PDBC10645","727450","Present"
-"1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethanone","","CC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NC4=CC=C(C=C4)F","PAOYYANTBCCAHG-UHFFFAOYSA-N","24205913",NA,"PDBC10646","737232","Present"
-"1-[4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine","","","","","","","","","","","","","","","","","","","","1-[4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine","","C1CN(CCN1CCO)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","AALVIHLXBXFNCU-UHFFFAOYSA-N","370664",NA,"PDBC10647","644040","Present"
-"1-[5-(1-Hydroxy-2-naphthyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-(1-Hydroxy-2-naphthyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C4=CC=CS4","QVGCZUSFVHLBCB-UHFFFAOYSA-N","390449",NA,"PDBC10648","687803","Present"
-"1-[5-(1-Hydroxyethyl)-4-(1,2,4-triazol-1-yl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","NSC651033///NSC651034","","CC(C1C(CC(O1)N2C=CC(=O)NC2=O)N3C=NC=N3)O","RCYVHQQOBKRIMQ-UHFFFAOYSA-N","373995",NA,"PDBC10649","651033///651034","Present"
-"1-[5-(1-Hydroxypent-4-enyl)furan-2-yl]tridecan-1-ol","","","","","","","","","","","","","","","","","","","","1-[5-(1-Hydroxypent-4-enyl)furan-2-yl]tridecan-1-ol","","CCCCCCCCCCCCC(C1=CC=C(O1)C(CCC=C)O)O","WDJHYNJZVBZFRP-UHFFFAOYSA-N","10959064",NA,"PDBC10650","732216","Present"
-"1-[5-(11-Hydroxyundec-1-ynyl)furan-2-yl]tridecan-1-ol","","","","","","","","","","","","","","","","","","","","1-[5-(11-Hydroxyundec-1-ynyl)furan-2-yl]tridecan-1-ol","","CCCCCCCCCCCCC(C1=CC=C(O1)C#CCCCCCCCCCO)O","PIKPEMADOWAIRR-UHFFFAOYSA-N","17754962",NA,"PDBC10651","732217","Present"
-"1-[5-(1H-Benzimidazol-2-yl)-2-thioxo-3H-thiazol-4-yl]-3-phenyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[5-(1H-Benzimidazol-2-yl)-2-thioxo-3H-thiazol-4-yl]-3-phenyl-thiourea","","C1=CC=C(C=C1)NC(=S)NC2=C(SC(=S)N2)C3=NC4=CC=CC=C4N3","SYIWRKUOOLOQHK-UHFFFAOYSA-N","3004159",NA,"PDBC10652","633192","Present"
-"1-[5-(2-Aminophenyl)-1-(1,3-benzodioxol-5-yl)-2-methylpyrrol-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","3-acetyl-5-(2-aminophenyl)-1-(benzo[d][1,3]dioxol-5-yl)-...","","CC1=C(C=C(N1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4N)C(=O)C","FCTAZZXMYFKRSF-UHFFFAOYSA-N","155809164",NA,"PDBC10653","798089","Present"
-"1-[5-(2-Cyclohexylphenoxy)pentyl]piperazine","","","","","","","","","","","","","","","","","","","","NSC30417","","C1CCC(CC1)C2=CC=CC=C2OCCCCCN3CCNCC3","NZWBFVUZQHXPKM-UHFFFAOYSA-N","410636",NA,"PDBC10654","30417","Present"
-"1-[5-(3,3-Dimethyl-2-oxobutyl)-2,4,5-trihydroxyfuran-2-yl]-3,3-dimethylbutan-2-one","","","","","","","","","","","","","","","","","","","","1-[5-(3,3-Dimethyl-2-oxobutyl)-2,4,5-trihydroxyfuran-2-yl]-3,3-dimethylbutan-2-one","","CC(C)(C)C(=O)CC1(C=C(C(O1)(CC(=O)C(C)(C)C)O)O)O","QFTDIOIUIPIVFP-UHFFFAOYSA-N","404260",NA,"PDBC10655","720438","Present"
-"1-[5-(3-Acetyl-4-hydroxy-phenyl)sulfonyl-2-hydroxy-phenyl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-(3-Acetyl-4-hydroxy-phenyl)sulfonyl-2-hydroxy-phenyl]ethanone","","CC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)C)O","BTWAJJBVZFAYDM-UHFFFAOYSA-N","391002",NA,"PDBC10656","689409","Present"
-"1-[5-(3-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-(3-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)Br)C3=CC(=C(C(=C3)OC)OC)OC","SZRVVNZEJHWCFG-UHFFFAOYSA-N","45028986",NA,"PDBC10657","745089","Present"
-"1-[5-(3-Formylindol-1-yl)pentyl]indole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","1-[5-(3-Formylindol-1-yl)pentyl]indole-3-carbaldehyde","","C1=CC=C2C(=C1)C(=CN2CCCCCN3C=C(C4=CC=CC=C43)C=O)C=O","VAAJFERPENUVEB-UHFFFAOYSA-N","381741",NA,"PDBC10658","668601","Present"
-"1-[5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC(=C(C(=C3)OC)OC)OC","ZLRZNULDLZNBNY-UHFFFAOYSA-N","16257373",NA,"PDBC10659","744675","Present"
-"1-[5-(3-Nitrophenyl)thiophen-2-yl]-2-(triphenyl-lambda5-phosphanylidene)ethanone","","","","","","","","","","","","","","","","","","","","1-[5-(3-Nitrophenyl)thiophen-2-yl]-2-(triphenyl-lambda5-phosphanylidene)ethanone","","C1=CC=C(C=C1)P(=CC(=O)C2=CC=C(S2)C3=CC(=CC=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5","KQBVRQXUFWZFNH-UHFFFAOYSA-N","403908",NA,"PDBC10660","719496","Present"
-"1-[5-(4-Hydroxy-3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-(4-Hydroxy-3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC(=C(C=C2)O)OC)C3=CC(=C(C(=C3)OC)OC)OC","OLGQAEJKONXUAZ-UHFFFAOYSA-N","135908147",NA,"PDBC10661","745492","Present"
-"1-[5-(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-phenyltetrazole","","","","","","","","","","","","","","","","","","","","1-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-ph...","","COC1=CC=C(C=C1)C2CC(=NN2)N3C(=NN=N3)C4=CC=CC=C4","UVBOOOFMJIYMEY-UHFFFAOYSA-N","155809884",NA,"PDBC10662","756078","Present"
-"1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(4-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(4- ...","","CN1CCN(CC1)C2=CN=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)C)F)C(=O)O","BNASZLDHUPDXNM-UHFFFAOYSA-N","384540",NA,"PDBC10663","674548","Present"
-"1-[5-(4-Methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-(4-Methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC(=C(C(=C3)OC)OC)OC","WSHQABRXPCSCRM-UHFFFAOYSA-N","45028883",NA,"PDBC10664","744688","Present"
-"1-[5-(4-Methylsulfanylphenyl)-3-(4-methylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-(4-Methylsulfanylphenyl)-3-(4-methylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]ethanone","","CC1=CSC(=C1)C2CC(=NN2C(=O)C)C3=CC=C(C=C3)SC","XEKFTXGNFZIJST-UHFFFAOYSA-N","45027950",NA,"PDBC10665","740246","Present"
-"1-[5-(4-Methylsulfanylphenyl)-3-[5-(2,4,5-trichlorophenyl)furan-2-yl]-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-(4-Methylsulfanylphenyl)-3-[5-(2,4,5-trichlorophenyl)furan-2-yl]-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(O3)C4=CC(=C(C=C4Cl)Cl)Cl","LVAJSOCJZOMYQO-UHFFFAOYSA-N","11662987",NA,"PDBC10666","740234","Present"
-"1-[5-(Dimethoxymethyl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-4-imino-pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[5-(dimethoxymethyl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidin-2-one","","COC(C1C(C(C(O1)CO)N2C=CC(=NC2=O)N)O)OC","DBLIMSUPOMWVSQ-UHFFFAOYSA-N","393728",NA,"PDBC10667","696246","Present"
-"1-[5-(Dimethoxymethyl)-4-hydroxy-tetrahydrofuran-3-yl]-5-fluoro-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[5-(Dimethoxymethyl)-4-hydroxy-tetrahydrofuran-3-yl]-5-fluoro-pyrimidine-2,4-dione","","COC(C1C(C(CO1)N2C=C(C(=O)NC2=O)F)O)OC","QHZOWDCTTDCNGN-UHFFFAOYSA-N","393729",NA,"PDBC10668","696247","Present"
-"1-[5-(Dimethylaminomethyl)-4,5-dihydrooxazol-2-yl]-3-phenyl-urea","","","","","","","","","","","","","","","","","","","","1-[5-(Dimethylaminomethyl)-4,5-dihydrooxazol-2-yl]-3-phenyl-urea","","CN(C)CC1CN=C(O1)NC(=O)NC2=CC=CC=C2","WCTPNQRMPUQCIY-UHFFFAOYSA-N","388213",NA,"PDBC10669","682807","Present"
-"1-[5-(Fluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","NSC687313///1-[5-(Fluoromethyl)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione","","CC1=CN(C(=O)NC1=O)C2CCC(O2)(CO)CF","FKVYQXLAWWGQES-UHFFFAOYSA-N","390168",NA,"PDBC10670","687313///687314","Present"
-"1-[5-(Hydroxymethyl)-4-(3-hydroxypropyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","NSC651035///NSC651036","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)CCCO","GZWIAXFTACEFKO-UHFFFAOYSA-N","373996",NA,"PDBC10671","651035///651036","Present"
-"1-[5-(Hydroxymethyl)-4-[4-[(5-iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[5-(Hydroxymethyl)-4-[4-[(5-iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=C(C(=O)NC4=O)I","QQIJAJXOAAOQTE-UHFFFAOYSA-N","392023",NA,"PDBC10672","691822","Present"
-"1-[5-(Hydroxymethyl)-4-methoxytetrahydrofuran-2-yl]pyrimidine-2,3H)-dione","","","","","","","","","","","","","","","","","","","","1-[5-(hydroxymethyl)-4-methoxytetrahydrofuran-2-yl]pyrim...","","COC1CC(OC1CO)N2C=CC(=O)NC2=O","MJLFWMACMGAXSW-UHFFFAOYSA-N","380916",NA,"PDBC10673","666700","Present"
-"1-[5-Chloro-2-nitrophenyl]-3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","1-(5-Chloro-2-nitrophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]","MVWZAKQZPDBCEA-UHFFFAOYSA-N","362626",NA,"PDBC10674","626767","Present"
-"1-[5-Oxo-3-(p-tolyl)-1H-1,2,4-triazol-4-yl]pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","1-[5-Oxo-3-(p-tolyl)-1H-1,2,4-triazol-4-yl]pyrrole-2,5-dione","","CC1=CC=C(C=C1)C2=NNC(=O)N2N3C(=O)C=CC3=O","ZMIQIYOQVFGCMX-UHFFFAOYSA-N","388161",NA,"PDBC10675","682725","Present"
-"1-[5-[(E)-2-(4-Dimethylaminophenyl)vinyl]-6-methyl-1,2,4-triazin-3-yl]-6-hydroxy-3-phenyl-2-thioxo-pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","1-[5-[(E)-2-[4-(Dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-yl]-6-hydroxy-3-phenyl-2-sulfanylidenepyrimidin-4-one","","CC1=C(N=C(N=N1)N2C(=CC(=O)N(C2=S)C3=CC=CC=C3)O)C=CC4=CC=C(C=C4)N(C)C","JQBIFFJOXPOSFS-SDNWHVSQSA-N","6412312",NA,"PDBC10676","698031","Present"
-"1-[5-[2-[2-(3-Acetyl-2-phenyl-2H-1,3,4-oxadiazol-5-yl)anilino]phenyl]-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-(4-acetyl-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl)amine","","CC(=O)N1C(OC(=N1)C2=CC=CC=C2NC3=CC=CC=C3C4=NN(C(O4)C5=CC=CC=C5)C(=O)C)C6=CC=CC=C6","WJICGEQVSYSGKX-UHFFFAOYSA-N","394758",NA,"PDBC10677","698461","Present"
-"1-[5-[4,6-Bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxy-3-methoxyoxolan-2-yl]ethane-1,2-diol","","","","","","","","","","","","","","","","","","","","1-[5-[4,6-Bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxy-3-methoxyoxolan-2-yl]ethane-1,2-diol","","COC1C(C(OC1C(CO)O)N2C3=C(C=N2)C(=NC(=N3)SC)SC)O","GUCPOOUUFYZUOO-UHFFFAOYSA-N","359455",NA,"PDBC10678","620320","Present"
-"1-[5-[4-(Diethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-[4-(Diethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CCN(CC)C1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C","ZEQZWVXJKZPDND-UHFFFAOYSA-N","45028987",NA,"PDBC10679","745090","Present"
-"1-[5-[4-(Dimethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-[4-(Dimethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)C3=CC(=C(C(=C3)OC)OC)OC","AXJHFRFVPWAUQX-UHFFFAOYSA-N","45028872",NA,"PDBC10680","744677","Present"
-"1-[5-[4-[[4,6-Bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-[4-[[4,6-Bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)Cl)C6=CC=C(C=C6)[N+](=O)[O-]","KIOHTZKSFNWBAK-UHFFFAOYSA-N","45028663",NA,"PDBC10681","743571","Present"
-"1-[5-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)N(C)C","KUGPPKIELDRNIK-UHFFFAOYSA-N","45028699",NA,"PDBC10682","743868","Present"
-"1-[5-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)N(C)C","LUMLKAKLCRZTIY-UHFFFAOYSA-N","45028984",NA,"PDBC10683","745087","Present"
-"1-[5-[5-(4-Acetyl-5-thioxo-1,3,4-oxadiazol-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl]-2-thioxo-1,3,4-oxadiazol-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[5-[5-(4-Acetyl-5-sulfanylidene-1,3,4-oxadiazol-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]ethanone","","CC1=C(NC(=C1C2=NN(C(=S)O2)C(=O)C)C)C3=NN(C(=S)O3)C(=O)C","KFVLIEGXECCRBD-UHFFFAOYSA-N","391122",NA,"PDBC10684","689740","Present"
-"1-[5-[Hydroxy(quinolin-3-yl)methyl]furan-2-yl]hex-5-en-1-ol","","","","","","","","","","","","","","","","","","","","1-[5-[Hydroxy(quinolin-3-yl)methyl]furan-2-yl]hex-5-en-1-ol","","C=CCCCC(C1=CC=C(O1)C(C2=CC3=CC=CC=C3N=C2)O)O","QQCLDSZEVDGJCG-UHFFFAOYSA-N","24204575",NA,"PDBC10685","732218","Present"
-"1-[5-[[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea","","","","","","","","","","","","","","","","","","","","1-[5-[[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea","","CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNCC3C(C4C(O3)OC(O4)(C)C)NC(=O)NC5=CC=C(C=C5)C(F)(F)F","KRBLUZMCIMROMM-UHFFFAOYSA-N","45028439",NA,"PDBC10686","742853","Present"
-"1-[5-[[5-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[5-[[5-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C(=CN=N3)CN4C=CC(=O)NC4=O)O","IAKYOCQVAMMWCY-UHFFFAOYSA-N","392014",NA,"PDBC10687","691813","Present"
-"1-[5-[[5-[(6-Aminopurin-9-yl)methyl]triazol-1-yl]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[5-[[5-[(6-Aminopurin-9-yl)methyl]triazol-1-yl]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C(=CN=N3)CN4C=NC5=C(N=CN=C54)N)O","CUJCXHSOSKHBJE-UHFFFAOYSA-N","392013",NA,"PDBC10688","691812","Present"
-"1-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-[[tert-butyl(dimethyl)silyl]oxy-methyl-amino]-3-phenylselanyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-[[tert-butyl(dimethyl)silyl]oxy-methylamino]-3-phenylselanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO[Si](C)(C)C(C)(C)C)N(C)O[Si](C)(C)C(C)(C)C)[Se]C3=CC=CC=C3","FANWTEHKYRHXQY-UHFFFAOYSA-N","384518",NA,"PDBC10689","674469","Present"
-"1-[5-[[[4-Chlorobutyl(methyl)amino]-[(1,4-dioxonaphthalen-2-yl)methoxy]phosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","2',3'-Dideoxy-2',3'-didehydrothymidyl 5-nitrofurfuryl N-...","","CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(N(C)CCCCCl)OCC3=CC(=O)C4=CC=CC=C4C3=O","TXENIGDHEOXUPT-UHFFFAOYSA-N","404845",NA,"PDBC10690","721389","Present"
-"1-[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]ethanone","","CC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)Cl)Cl)[O-])C(F)(F)F","DUAGXVMKTWHBHK-UHFFFAOYSA-N","403949",NA,"PDBC10691","719715","Present"
-"1-[6-(2,4,6-Trichlorophenoxy)hexyl]piperazine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC31334","","C1CN(CCN1)CCCCCCOC2=C(C=C(C=C2Cl)Cl)Cl.Cl","OXCUVNOAUPEOOK-UHFFFAOYSA-N","24183885",NA,"PDBC10692","31334","Present"
-"1-[6-(4-Cyclohexylphenoxy)hexyl]piperazine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[6-(4-Cyclohexylphenoxy)hexyl]piperazine;hydrochloride","","C1CCC(CC1)C2=CC=C(C=C2)OCCCCCCN3CCNCC3.Cl","GLOROZSENIYPBK-UHFFFAOYSA-N","24181467",NA,"PDBC10693","9329","Present"
-"1-[6-(4-Pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC30413","","CCCC(C)C1=CC=C(C=C1)OCCCCCCN2CCNCC2.Cl","ZPXSLBWMTDVTJB-UHFFFAOYSA-N","54605432",NA,"PDBC10694","30413","Present"
-"1-[6-(4-Tert-butylphenoxy)hexyl]piperazine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC30426","","CC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCNCC2.Cl","SXOOXMAPXSMFPV-UHFFFAOYSA-N","54603811",NA,"PDBC10695","30426","Present"
-"1-[6-(Trifluoromethyl)-1H-benzoimidazole-2-yl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine","","","","","","","","","","","","","","","","","","","","2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl)-6-(tri...","","COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F","ZUKDLCVEWHZVQL-UHFFFAOYSA-N","101882095",NA,"PDBC10696","766331","Present"
-"1-[6-(Trifluoromethyl)-1H-benzoimidazole-2-yl]-3-phenylimidazo[1,5-a]pyridine","","","","","","","","","","","","","","","","","","","","3-phenyl-1-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl...","","C1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F","VBCDIUYODMQLRW-UHFFFAOYSA-N","101882092",NA,"PDBC10697","774952","Present"
-"1-[6-Methoxy-2-(2-thienyl)-4-quinolyl]-2-thiomorpholino-ethanol","","","","","","","","","","","","","","","","","","","","4-Quinolinemethanol,  6-methoxy-2-(2-thienyl)-.alpha.-[(...","","COC1=CC2=C(C=C1)N=C(C=C2C(CN3CCSCC3)O)C4=CC=CS4","OKNKEAGLYVCUDV-UHFFFAOYSA-N","362377",NA,"PDBC10698","626121","Present"
-"1-[6-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]-1,3-benzodioxol-5-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[6-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]-1,3-benzodioxol-5-yl]ethanone","","CC(=O)C1=CC2=C(C=C1NC3=C4C(=COC4=NC5=CC=CC=C53)Cl)OCO2","CVQQQJCBXBNPRU-UHFFFAOYSA-N","11675324",NA,"PDBC10699","727801","Present"
-"1-[6-[(6-Methoxynaphthalen-2-yl)methylamino]hexyl]-3-naphthalen-1-ylurea","","","","","","","","","","","","","","","","","","","","1-[6-[(6-Methoxy-2-naphthyl)methylamino]hexyl]-3-(1-naphthyl)urea","","COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43","OOSVNGFGTLOPMG-UHFFFAOYSA-N","393610",NA,"PDBC10700","695802","Present"
-"1-[6-[2-[2-(4-Nitrophenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one","","","","","","","","","","","","","","","","","","","","1-[6-[2-[2-(4-Nitrophenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one","","C1CCN(C(=O)C1)CCCCC#CC2=CC=CC=C2C#CC3=CC=C(C=C3)[N+](=O)[O-]","OBIVJCYSEWSBRP-UHFFFAOYSA-N","45028780",NA,"PDBC10701","744168","Present"
-"1-[6-[3,3-Bis(butylsulfanyl)prop-2-enoyl]-2-pyridyl]-3,3-bis(butylsulfanyl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","1-[6-[3,3-Bis(butylsulfanyl)prop-2-enoyl]-2-pyridyl]-3,3-bis(butylsulfanyl)prop-2-en-1-one","","CCCCSC(=CC(=O)C1=NC(=CC=C1)C(=O)C=C(SCCCC)SCCCC)SCCCC","ICYSZPDXZPQNKI-UHFFFAOYSA-N","373786",NA,"PDBC10702","650749","Present"
-"1-[6-[3-(2-Pyridin-3-ylethynyl)phenyl]hex-5-ynyl]piperidin-2-one","","","","","","","","","","","","","","","","","","","","1-[6-[3-(2-Pyridin-3-ylethynyl)phenyl]hex-5-ynyl]piperidin-2-one","","C1CCN(C(=O)C1)CCCCC#CC2=CC(=CC=C2)C#CC3=CN=CC=C3","FFADUVTXSJYHEL-UHFFFAOYSA-N","45028957",NA,"PDBC10703","745018","Present"
-"1-[6-[4-(2-Methylbutan-2-yl)phenoxy]hexyl]piperazine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[6-[4-(2-Methylbutan-2-yl)phenoxy]hexyl]piperazine;hydrochloride","","CCC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCNCC2.Cl","ASHCZBMKUATZTO-UHFFFAOYSA-N","24181465",NA,"PDBC10704","9327","Present"
-"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-ethynyl-6-iodopyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-ethynyl-6-iodopyrimidine-2,4-dione","","CC1(OC2C(OC(C2O1)N3C(=C(C(=O)NC3=O)C#C)I)CO[Si](C)(C)C(C)(C)C)C","RULCQGVFYVAUBK-UHFFFAOYSA-N","45028651",NA,"PDBC10705","743558","Present"
-"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione","","CCCCC#CC1=C(N(C(=O)NC1=O)C2C3C(C(O2)CO[Si](C)(C)C(C)(C)C)OC(O3)(C)C)I","TVHVCMVULQFFSY-UHFFFAOYSA-N","45028649",NA,"PDBC10706","743556","Present"
-"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iodo-5-(2-trimethylsilylethynyl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iodo-5-(2-trimethylsilylethynyl)pyrimidine-2,4-dione","","CC1(OC2C(OC(C2O1)N3C(=C(C(=O)NC3=O)C#C[Si](C)(C)C)I)CO[Si](C)(C)C(C)(C)C)C","CCLKJPVRLBZGGR-UHFFFAOYSA-N","45028652",NA,"PDBC10707","743559","Present"
-"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-5-hydroxy-tetrahydropyran-3-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-5-hydroxyoxan-3-yl]pyrimidine-2,4-dione","","CCOC1C(CC(C(O1)CO[Si](C)(C)C(C)(C)C)O)N2C=CC(=O)NC2=O","VPXFRHSNKICYPX-UHFFFAOYSA-N","395153",NA,"PDBC10708","699453","Present"
-"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-isopropoxy-tetrahydropyran-3-yl]-5-methyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-propan-2-yloxyoxan-3-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(OC2OC(C)C)CO[Si](C)(C)C(C)(C)C)O","LURMHPSVRXKOQU-UHFFFAOYSA-N","395154",NA,"PDBC10709","699454","Present"
-"1-[7-(4-Tert-butylphenoxy)heptyl]piperazine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC22165","","CC(C)(C)C1=CC=C(C=C1)OCCCCCCCN2CCNCC2.Cl","YDFQBFVAHSBELM-UHFFFAOYSA-N","54601116",NA,"PDBC10710","22165","Present"
-"1-[7-Chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[7-Chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride","","CCN(CC)CC(C1=CC(=NC2=C1C=CC(=C2C)Cl)C3=CC=C(C=C3)Cl)O.Cl","ZFIINLSHYWVCMD-UHFFFAOYSA-N","24184089",NA,"PDBC10711","32936","Present"
-"1-[7-Chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[7-Chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride","","CCN(CC)CC(C1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl)O.Cl","ZIIAVIREADSDCE-UHFFFAOYSA-N","24181064",NA,"PDBC10712","4378","Present"
-"1-[7-Methyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one","","","","","","","","","","","","","","","","","","","","1-[7-Methyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one","","CCC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)C)[O-])C(F)(F)F","UPPXQYINBFSWBA-UHFFFAOYSA-N","24203707",NA,"PDBC10713","729179","Present"
-"1-[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]piperazine","","","","","","","","","","","","","","","","","","","","1-[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]piperazine","","CC1C(C2=CC3=C(C=C2OC1N4CCNCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","DBEFHKMWRWJVAF-UHFFFAOYSA-N","384846",NA,"PDBC10714","675364","Present"
-"1-[8-(2,3-Dimethoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine","","","","","","","","","","","","","","","","","","","","1-[8-(2,3-Dimethoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine","","CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)OC","QUAKHYXKSRPYCZ-UHFFFAOYSA-N","356039",NA,"PDBC10715","611074","Present"
-"1-[8-(3-Formylindol-1-yl)octyl]indole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","1-[8-(3-Formylindol-1-yl)octyl]indole-3-carbaldehyde","","C1=CC=C2C(=C1)C(=CN2CCCCCCCCN3C=C(C4=CC=CC=C43)C=O)C=O","AWXYINCQJYFKDG-UHFFFAOYSA-N","379249",NA,"PDBC10716","663663","Present"
-"1-[8-(3-Methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine","","","","","","","","","","","","","","","","","","","","1-[8-(3-Methoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine","","CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=CC(=CC=C5)OC","LUELUYBCCRBFBS-UHFFFAOYSA-N","382365",NA,"PDBC10717","669884","Present"
-"1-[8-[4-(Dimethylamino)phenyl]-6-hydroxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[8-[4-(Dimethylamino)phenyl]-6-hydroxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone","","CC(=O)C1C(C2=CC3=C(C=C2OC1(C)O)OCO3)C4=CC=C(C=C4)N(C)C","WPRIGIWLWBHLBX-UHFFFAOYSA-N","358789",NA,"PDBC10718","618858","Present"
-"1-[9-(4-Chlorophenyl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine;chloride","","","","","","","","","","","","","","","","","","","","1-[9-(4-Chlorophenyl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine;chloride","","C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=C(C=C6)Cl.[Cl-]","RGTMFVSUDYTFHZ-UHFFFAOYSA-M","60147611",NA,"PDBC10719","751819","Present"
-"1-[9-(Furan-2-yl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine;chloride","","","","","","","","","","","","","","","","","","","","1-[9-(Furan-2-yl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine;chloride","","C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=CO6.[Cl-]","FNCCNOYEBYFMMQ-UHFFFAOYSA-M","60147609",NA,"PDBC10720","751818","Present"
-"1-[9-[2-[4-[2-(2-Methoxypropan-2-yloxy)ethyl]piperazin-1-yl]ethyl]-1H-cyclopenta[b][1,4]benzothiazin-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","1-[9-[2-[4-[2-(2-Methoxypropan-2-yloxy)ethyl]piperazin-1-yl]ethyl]-1H-cyclopenta[b][1,4]benzothiazin-2-yl]ethanone","","CC(=O)C1=CC2=C(C1)N(C3=CC=CC=C3S2)CCN4CCN(CC4)CCOC(C)(C)OC","OMQJELZGTFDCOI-UHFFFAOYSA-N","398333",NA,"PDBC10721","708053","Present"
-"1-[9-[3,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(methylcarbamoylamino)methyl]oxolan-2-yl]purin-6-yl]-3-phenylurea","","","","","","","","","","","","","","","","","","","","1-[9-[3,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(methylcarbamoylamino)methyl]oxolan-2-yl]purin-6-yl]-3-phenylurea","","CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC","QRNGTFCYIZAZOC-UHFFFAOYSA-N","54613763",NA,"PDBC10722","750689","Present"
-"1-[?]ethanone","","","","","","","","","","","","","","","","","","","","1-[?]ethanone","","CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)O.[Ni+2]","UUPZKGNXJKDLPF-SLWJBZKLSA-L","135508855",NA,"PDBC10723","625861","Present"
-"1-[?]ylethane-1,2-diol","","","","","","","","","","","","","","","","","","","","1-[?]ylethane-1,2-diol","","C1C2C(OC1NC3=CC=CC=C3N2)C(CO)O","FZQKDSYPGNPYFV-UHFFFAOYSA-N","382442",NA,"PDBC10724","670008","Present"
-"1-[Bis(4-chlorophenyl)methyl]piperazine","","","","","","","","","","","","","","","","","","","","NCI-142496","","C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","PTLFMGDNZYQISN-UHFFFAOYSA-N","285510",NA,"PDBC10725","142496","Present"
-"1-[Bis(4-tert-butylphenyl)-methoxymethyl]-4-tert-butylbenzene","","","","","","","","","","","","","","","","","","","","1-[Bis(4-tert-butylphenyl)-methoxymethyl]-4-tert-butylbenzene","","CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)OC","UKUTYOJFKDKPLI-UHFFFAOYSA-N","357630",NA,"PDBC10726","617154","Present"
-"1-[Bis(aziridin-1-yl)phosphorothioyl]pyrrolidine","","","","","","","","","","","","","","","","","","","","pyrrolidine, 1-(di-1-aziridinylphosphinothioyl) (9ci)","","C1CCN(C1)P(=S)(N2CC2)N3CC3","DDYAFCWSLZNSFO-UHFFFAOYSA-N","244656",NA,"PDBC10727","55740","Present"
-"1-[Bis(dimethylamino)phosphoryl]-N-(4-nitroanilino)formamidine","","","","","","","","","","","","","","","","","","","","1-[Bis(dimethylamino)phosphoryl]-N-(4-nitroanilino)formamidine","","CN(C)P(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])N)N(C)C","ALDMZBBSWIXUTK-UHFFFAOYSA-N","9555597",NA,"PDBC10728","652139","Present"
-"1-[Bis[[3,5-bis(trifluoromethyl)phenyl]sulfanyl]methyl]cyclohex-2-en-1-ol","","","","","","","","","","","","","","","","","","","","1-(Bis{[3,5-bis(trifluoromethyl)phenyl]sulfanyl}methyl)cyclohex-2-en-1-ol","","C1CC=CC(C1)(C(SC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O","CNQMXLSBZNQREH-UHFFFAOYSA-N","400458",NA,"PDBC10729","712195","Present"
-"1-[Diethoxyphosphoryl(phenyl)methyl]-1-(3-fluorophenyl)-3-(trifluoromethyl)urea","","","","","","","","","","","","","","","","","","","","1-[Diethoxyphosphoryl(phenyl)methyl]-1-(3-fluorophenyl)-3-(trifluoromethyl)urea","","CCOP(=O)(C(C1=CC=CC=C1)N(C2=CC(=CC=C2)F)C(=O)NC(F)(F)F)OCC","PQWRCUMFPROHTH-UHFFFAOYSA-N","385507",NA,"PDBC10730","676756","Present"
-"1-[Diethoxyphosphoryl(phenyl)methyl]-1-(p-tolyl)-3-(trifluoromethyl)urea","","","","","","","","","","","","","","","","","","","","1-[Diethoxyphosphoryl(phenyl)methyl]-1-(p-tolyl)-3-(trifluoromethyl)urea","","CCOP(=O)(C(C1=CC=CC=C1)N(C2=CC=C(C=C2)C)C(=O)NC(F)(F)F)OCC","FTDIXDZXNSKOGL-UHFFFAOYSA-N","385504",NA,"PDBC10731","676753","Present"
-"1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)-3-(trifluoromethyl)urea","","","","","","","","","","","","","","","","","","","","1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)-3-(trifluoromethyl)urea","","CCOP(=O)(C(C1=CC=C(C=C1)F)N(C2=CC=C(C=C2)F)C(=O)NC(F)(F)F)OCC","XWBZSOMNSYHMQR-UHFFFAOYSA-N","385506",NA,"PDBC10732","676755","Present"
-"1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)urea","","","","","","","","","","","","","","","","","","","","1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)urea","","CCOP(=O)(C(C1=CC=C(C=C1)F)N(C2=CC=C(C=C2)OC)C(=O)NC(F)(F)F)OCC","WZGFUJSQNBJYSD-UHFFFAOYSA-N","385508",NA,"PDBC10733","676757","Present"
-"1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]urea","","","","","","","","","","","","","","","","","","","","1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]urea","","CCOP(=O)(C(C1=CC=C(C=C1)F)N(C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(F)(F)F)OCC","WWYZAZKNHAVKOS-UHFFFAOYSA-N","385505",NA,"PDBC10734","676754","Present"
-"1-[Ethyl(methyl)phosphoryl]ethane","","","","","","","","","","","","","","","","","","","","1-[Ethyl(methyl)phosphoryl]ethane","","CCP(=O)(C)CC","TWQSQPQSQXIKOD-UHFFFAOYSA-N","357600",NA,"PDBC10735","617072","Present"
-"1-[Methoxy(methyl)phosphoryl]-2-phenyl-ethanamine; picric acid","","","","","","","","","","","","","","","","","","","","1-[Methoxy(methyl)phosphoryl]-2-phenyl-ethanamine; picric acid","","COP(=O)(C)C(CC1=CC=CC=C1)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","QCIKLIIZDFKDKH-UHFFFAOYSA-N","382234",NA,"PDBC10736","669689","Present"
-"1-[N'-[2-[(6-Methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[N'-[2-[(6-Methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride","","CC(C)N=C(N)NC(=NCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl","IIBDTHHSRQRWAP-UHFFFAOYSA-N","54611977",NA,"PDBC10737","56591","Present"
-"1-[N'-[3-[(6-Methoxyquinolin-8-yl)amino]propyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[N'-[3-[(6-Methoxyquinolin-8-yl)amino]propyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride","","CC(C)N=C(N)NC(=NCCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl","OXKBOWXGCSENSA-UHFFFAOYSA-N","54599371",NA,"PDBC10738","54848","Present"
-"1-[N'-[4-[(6-Methoxyquinolin-8-yl)amino]butyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[N'-[4-[(6-Methoxyquinolin-8-yl)amino]butyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride","","CC(C)N=C(N)NC(=NCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl","RJEVQWXLXOTZLF-UHFFFAOYSA-N","54601442",NA,"PDBC10739","53861","Present"
-"1-[N'-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[N'-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride","","CC(C)N=C(N)NC(=NCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl","JQJHLCZCRMGVQY-UHFFFAOYSA-N","54605283",NA,"PDBC10740","54849","Present"
-"1-[[(1S,3R)-3-(Hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]-5-iodopyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[[(1s,3r)-3-(Hydroxymethyl)-2,2,3-trimethyl-cyclopentyl]methyl]-5-iodo-pyrimidine-2,4-dione","","CC1(C(CCC1(C)CO)CN2C=C(C(=O)NC2=O)I)C","DPWIQIXLUOYBNT-OTYXRUKQSA-N","395608",NA,"PDBC10741","700353","Present"
-"1-[[(1S,3R)-3-(Hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-{[(1s,3r)-3-(Hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl}pyrimidine-2,4(1h,3h)-dione","","CC1(C(CCC1(C)CO)CN2C=CC(=O)NC2=O)C","OUGUUXYZVGAXGE-YGRLFVJLSA-N","395607",NA,"PDBC10742","700352","Present"
-"1-[[(2,5-Dioxo-4-phenyl-piperazin-1-yl)amino]methylamino]-4-phenyl-piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-[[(2,5-Dioxo-4-phenyl-piperazin-1-yl)amino]methylamino]-4-phenyl-piperazine-2,5-dione","","C1C(=O)N(CC(=O)N1C2=CC=CC=C2)NCNN3CC(=O)N(CC3=O)C4=CC=CC=C4","GFMOXJTUIZVABH-UHFFFAOYSA-N","376334",NA,"PDBC10743","657166","Present"
-"1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-(diethoxyphosphorylmethyl)cyclobutanol","","","","","","","","","","","","","","","","","","","","1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-(diethoxyphosphorylmethyl)cyclobutanol","","CCOP(=O)(CC1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)O)OCC","MUNNQJHPDKYJBH-UHFFFAOYSA-N","385293",NA,"PDBC10744","676405","Present"
-"1-[[1-(2,4-Dichlorophenyl)-2-imidazol-1-yl-ethoxy]methyl]-2-methyl-benzimidazole","","","","","","","","","","","","","","","","","","","","1-[[1-(2,4-Dichlorophenyl)-2-imidazol-1-yl-ethoxy]methyl]-2-methyl-benzimidazole","","CC1=NC2=CC=CC=C2N1COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl","AUKATFAJZHBGOB-UHFFFAOYSA-N","387862",NA,"PDBC10745","682073","Present"
-"1-[[1-(4-Chlorophenyl)-2,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrol-3-yl]methyl]-4-methyl-piperazine","","","","","","","","","","","","","","","","","","","","1-[[1-(4-Chlorophenyl)-2,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrol-3-yl]methyl]-4-methylpiperazine","","CC1=C(C(=C(N1C2=CC=C(C=C2)Cl)C)CN3CCN(CC3)C)CN4CCN(CC4)C","GMJGLTDBXPXVRV-UHFFFAOYSA-N","388903",NA,"PDBC10746","684135","Present"
-"1-[[1-(4-Hydroxybutyl)triazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","1-[[1-(4-Hydroxybutyl)triazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-ol","","C1=C(N=NN1CCCCO)CN2C3=C(C=N2)C(=O)NC=N3","IHBTUSVFVRVCHT-UHFFFAOYSA-N","135426596",NA,"PDBC10747","703067","Present"
-"1-[[1-(Hydroxymethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","1-[[1-(Hydroxymethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide","","C1CC(C1)(CN2C=NC(=N2)C(=O)N)CO","QXDSLOBEQXRNHY-UHFFFAOYSA-N","385286",NA,"PDBC10748","676397","Present"
-"1-[[1-(Hydroxymethyl)cyclobutyl]methyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[[1-(Hydroxymethyl)cyclobutyl]methyl]pyrimidine-2,4-dione","","C1CC(C1)(CN2C=CC(=O)NC2=O)CO","JCDAPZYSDFNFHT-UHFFFAOYSA-N","385296",NA,"PDBC10749","676408","Present"
-"1-[[1-(Hydroxymethyl)cyclopentyl]methyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[[1-(Hydroxymethyl)cyclopentyl]methyl]pyrimidine-2,4-dione","","C1CCC(C1)(CN2C=CC(=O)NC2=O)CO","XRMLZSMDIODHLH-UHFFFAOYSA-N","385298",NA,"PDBC10750","676410","Present"
-"1-[[1-[(2,3-Dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-amine","","","","","","","","","","","","","","","","","","","","3-[[4-[(4-Aminopyrazolo[5,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","C1=C(N=NN1COCC(CO)O)CN2C3=NC=NC(=C3C=N2)N","DIVFBQJZPAOWBQ-UHFFFAOYSA-N","398131",NA,"PDBC10751","707558","Present"
-"1-[[1-[(2,3-Dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-ol","","","","","","","","","","","","","","","","","","","","1-[[1-(2,3-Dihydroxypropoxymethyl)triazol-4-yl]methyl]-2h-pyrazolo[4,5-e]pyrimidin-4-one","","C1=C(N=NN1COCC(CO)O)CN2C3=C(C=N2)C(=O)NC=N3","OEYCQAXMWSWUDM-UHFFFAOYSA-N","135426692",NA,"PDBC10752","707562","Present"
-"1-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)CC2=CN(N=N2)CC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O","PWTMFXHNZGBADU-UHFFFAOYSA-N","392016",NA,"PDBC10753","691815","Present"
-"1-[[2-(2-Hydroxyethyl)phenyl]methyl]-5-methyl-2-thioxo-pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","1-[[2-(2-Hydroxyethyl)phenyl]methyl]-5-methyl-2-thioxo-pyrimidin-4-one","","CC1=CN(C(=S)NC1=O)CC2=CC=CC=C2CCO","YYZREELCVALACS-UHFFFAOYSA-N","3004306",NA,"PDBC10754","644205","Present"
-"1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-ethylthiourea","","","","","","","","","","","","","","","","","","","","1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-ethylthiourea","","CCNC(=S)NNC(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3","UHRWCJOWMMXSOO-UHFFFAOYSA-N","5471977",NA,"PDBC10755","715711","Present"
-"1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-phenylthiourea","","","","","","","","","","","","","","","","","","","","1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-phenylthiourea","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC(=S)NC4=CC=CC=C4","BHJCIQCBNDURIW-UHFFFAOYSA-N","5471979",NA,"PDBC10756","715724","Present"
-"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)thiourea","","CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)F","ASUVCVCDKFYQLY-UHFFFAOYSA-N","3000818",NA,"PDBC10757","691523","Present"
-"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-nitrophenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-nitrophenyl)thiourea","","CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]","IAKXPOKHOMGJAF-UHFFFAOYSA-N","3493952",NA,"PDBC10758","691525","Present"
-"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(p-tolyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(p-tolyl)thiourea","","CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)C","HNOUEDWYNOHFER-UHFFFAOYSA-N","3005876",NA,"PDBC10759","691524","Present"
-"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-methyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-methyl-thiourea","","CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC","CHUCPMFZDBBVJU-UHFFFAOYSA-N","3000816",NA,"PDBC10760","691521","Present"
-"1-[[2-(4-Chlorophenyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[[2-(4-Chlorophenyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride","","C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=C(C=C5)Cl.Cl","XWNZYGQCXBJZOG-UHFFFAOYSA-N","400874",NA,"PDBC10761","713551","Present"
-"1-[[2-(4-Methoxyphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","","","","","","","","","","","","","","","","","","","1-{[2-(4-Methoxyphenyl)-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine","","COC1=CC=C(C=C1)C2=NC3=C(N2CC4CCCN5C4CCCC5)C=CC(=C3)C(F)(F)F","NYJQZRBPKNCCPF-UHFFFAOYSA-N","400876",NA,"PDBC10762","713552","Present"
-"1-[[2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[[2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-thiourea","","C1CCC(CC1)NC(=S)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","KEEJCPSNKPTIIZ-UHFFFAOYSA-N","3001650",NA,"PDBC10763","698983","Present"
-"1-[[2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-urea","","","","","","","","","","","","","","","","","","","","2-((9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl)-N-cyclohexylhydrazinecarboxamide","","C1CCC(CC1)NC(=O)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","WYTGXEYOXLDKQZ-UHFFFAOYSA-N","394894",NA,"PDBC10764","698985","Present"
-"1-[[2-(Chloromethyl)phenyl]methyl]-5-nitro-2H-indazol-3-one","","","","","","","","","","","","","","","","","","","","1-[[2-(Chloromethyl)phenyl]methyl]-5-nitro-2H-indazol-3-one","","C1=CC=C(C(=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)CCl","LMSVNBPLEMOWBR-UHFFFAOYSA-N","384994",NA,"PDBC10765","675821","Present"
-"1-[[2-Phenyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-{[2-Phenyl-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine hydrochloride","","C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=CC=C5.Cl","UWECIZBUMZRNQD-UHFFFAOYSA-N","400872",NA,"PDBC10766","713550","Present"
-"1-[[2-[(3,4-Dichlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","","","","","","","","","","","","","","","","","","","1-{[2-(3,4-Dichlorobenzyl)-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine","","C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3CC5=CC(=C(C=C5)Cl)Cl","UCPNERUEYRHMHX-UHFFFAOYSA-N","400869",NA,"PDBC10767","713547","Present"
-"1-[[2-[(4-Chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","","","","","","","","","","","","","","","","","","","1-{[2-(4-Chlorobenzyl)-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine","","C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3CC5=CC=C(C=C5)Cl","IZLWCYZKYDWQIK-UHFFFAOYSA-N","400868",NA,"PDBC10768","713546","Present"
-"1-[[2-[[2-[[2-[[2-[(2-Amino-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]amino]cyclopentanecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-[[2-[[2-[[2-[[2-[(2-Amino-3-phenylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylprop","","CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)N)OC(C)(C)C","ZMGKWCJTPNHVGJ-UHFFFAOYSA-N","495912",NA,"PDBC10769","672664","Present"
-"1-[[3,4-Bis(phenylmethoxy)phenyl]methyl]-7-hydroxy-6-methoxy-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","1-[[3,4-Bis(phenylmethoxy)phenyl]methyl]-7-hydroxy-6-methoxy-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide","","COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC3=CC=CC=C3)CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O","AOYNMCPNILHRRY-UHFFFAOYSA-N","398849",NA,"PDBC10770","709001","Present"
-"1-[[3,5-Bis(hydroxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxymethyl]-3-(hydroxymethyl)urea","","","","","","","","","","","","","","","","","","","","1-[[3,5-Bis(hydroxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxymethyl]-3-(hydroxymethyl)urea","","C(NC(=O)NCOCN1C(=O)N(C(=O)N(C1=O)CO)CO)O","PITHXAIPACLKNH-UHFFFAOYSA-N","370119",NA,"PDBC10771","642710","Present"
-"1-[[3,5-Dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-5-[[2-(diethylamino)acetyl]amino]triazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","1-[[3,5-Dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-5-[[2-(diethylamino)acetyl]amino]triazole-4-carboxamide","","CCN(CC)CC(=O)NC1=C(N=NN1CC2=CC(=C(C(=C2)Cl)C(=O)C3=CC=C(C=C3)Cl)Cl)C(=O)N","KNFGAMLXOGQFLD-UHFFFAOYSA-N","390132",NA,"PDBC10772","687158","Present"
-"1-[[3-(2-Hydroxyethoxymethyl)triazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","1-{[(1-(2-hydroxyethoxy)methyl)-1,2,3-triazol-5-yl]methy...","","C1=C(N(N=N1)COCCO)CN2C3=C(C=N2)C(=O)NC=N3","GXRPQQQVPCZZAQ-UHFFFAOYSA-N","135417268",NA,"PDBC10773","710507","Present"
-"1-[[3-(Acryloylamino)propionyloxy]methyl]-5-fluorouracil","","","","","","","","","","","","","","","","","","","","1-[[3-(Acryloylamino)propionyloxy]methyl]-5-fluorouracil","","C=CC(=O)NCCC(=O)OCN1C=C(C(=O)NC1=O)F","RSKCDMAFLRMJRQ-UHFFFAOYSA-N","402478",NA,"PDBC10774","716503","Present"
-"1-[[3-(Carbamimidoylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]guanidine","","","","","","","","","","","","","","","","","","","","1-[[3-(Carbamimidoylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]guanidine","","CC1(C(=NN=C(N)N)C(C1=NN=C(N)N)(C)C)C","QDWZLSCOURVZKL-UHFFFAOYSA-N","369739",NA,"PDBC10775","641833","Present"
-"1-[[3-(Trifluoromethyl)phenyl]amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-[[3-(Trifluoromethyl)phenyl]amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile","","C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC=CC(=C5)C(F)(F)F)C#N","BHCLQMBXONRBLZ-UHFFFAOYSA-N","395406",NA,"PDBC10776","699942","Present"
-"1-[[3-(Trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","1-[[3-(Trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2)NC5=CC=CC(=C5)C(F)(F)F)C#N","FIHHQRUFLJZGCH-UHFFFAOYSA-N","395410",NA,"PDBC10777","699946","Present"
-"1-[[3-Benzyl-1-(hydroxymethyl)cyclobutyl]methyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[[3-Benzyl-1-(hydroxymethyl)cyclobutyl]methyl]pyrimidine-2,4-dione","","C1C(CC1(CN2C=CC(=O)NC2=O)CO)CC3=CC=CC=C3","XLSRPOSEXVGMBP-UHFFFAOYSA-N","385297",NA,"PDBC10778","676409","Present"
-"1-[[3-[2-(Diaminomethylidene)hydrazinyl]-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-6-yl]imino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[[3-[2-(Diaminomethylidene)hydrazinyl]-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-6-yl]imino]guanidine;hydrochloride","","C1=CC(=C2C(=C1NN=C(N)N)C3=C(C=N2)N4C=CSC4=N3)N=NC(=N)N.Cl","LMPAOPKRSKUSJG-UHFFFAOYSA-N","24202942",NA,"PDBC10779","726316","Present"
-"1-[[3-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[[3-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)CC2=CN=NN2CC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O","IYUPOZSQTUXBPV-UHFFFAOYSA-N","392010",NA,"PDBC10780","691809","Present"
-"1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-4-aminopyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-4-aminopyrimidin-2-one","","C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=CC(=NC5=O)N)O","CNVKJYIMHGISTI-UHFFFAOYSA-N","45027978",NA,"PDBC10781","740414","Present"
-"1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-5-fluoropyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-5-fluoropyrimidine-2,4-dione","","C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=C(C(=O)NC5=O)F)O","QZMFOPWXJWQLGD-UHFFFAOYSA-N","45027976",NA,"PDBC10782","740412","Present"
-"1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-5-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)CC2=CC(=C(C=C2)C34CC5CC(C3)CC(C5)C4)O","NUUVARQCGUGAHF-UHFFFAOYSA-N","45027975",NA,"PDBC10783","740411","Present"
-"1-[[4-(5-Methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-[1-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-4-yl]piperidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[[4-(5-Methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-[1-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-4-yl]piperidine;hydrochloride","","CC1CN=C(N1)C2=CC=C(C=C2)CN3CCC(CC3)C4CCN(CC4)CC5=CC=C(C=C5)C6=NCC(N6)C.Cl","IACXALXANUDNJM-UHFFFAOYSA-N","400413",NA,"PDBC10784","711989","Present"
-"1-[[4-(5-Methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-[3-[1-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-4-yl]propyl]piperidine;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[[4-(5-Methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-[3-[1-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-4-yl]propyl]piperidine;hydrochloride","","CC1CN=C(N1)C2=CC=C(C=C2)CN3CCC(CC3)CCCC4CCN(CC4)CC5=CC=C(C=C5)C6=NCC(N6)C.Cl","UFMWMBXJDFBGCB-UHFFFAOYSA-N","402802",NA,"PDBC10785","717052","Present"
-"1-[[4-Amino-5-[8-[4-amino-5-[(2-hydroxy-1-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-[[4-Amino-5-[8-[4-amino-5-[(2-hydroxynaphthalen-1-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol","","C1=CC=C2C(=C1)C=CC(=C2OCC3=NN=C(N3N)CCCCCCCCC4=NN=C(N4N)COC5=C(C=CC6=CC=CC=C65)O)O","NUXQTLBRCMZPEU-UHFFFAOYSA-N","394045",NA,"PDBC10786","697163","Present"
-"1-[[4-Anilino-5-[8-[4-anilino-5-[(2-hydroxy-1-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-[[4-Anilino-5-[8-[4-anilino-5-[(2-hydroxynaphthalen-1-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol","","C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C=CC4=CC=CC=C43)O)CCCCCCCCC5=NN=C(N5NC6=CC=CC=C6)COC7=C(C=CC8=CC=CC=C87)O","LNDVDGHWVHFAEB-UHFFFAOYSA-N","394050",NA,"PDBC10787","697168","Present"
-"1-[[4-[(4-Carbamoylpiperidin-1-yl)methyl]-2,3,5,6-tetrachlorophenyl]methyl]piperidine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","1-[[4-[(4-Carbamoylpiperidin-1-yl)methyl]-2,3,5,6-tetrachlorophenyl]methyl]piperidine-4-carboxamide;hydrochloride","","C1CN(CCC1C(=O)N)CC2=C(C(=C(C(=C2Cl)Cl)CN3CCC(CC3)C(=O)N)Cl)Cl.Cl","JYOCKKPVOWTKIT-UHFFFAOYSA-N","401315",NA,"PDBC10788","714618","Present"
-"1-[[5,6-Dichloro-2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","","","","","","","","","","","","","","","","","","","1-{[5,6-Dichloro-2-(3,4-dichlorobenzyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine","","C1CCN2CCCC(C2C1)CN3C4=CC(=C(C=C4N=C3CC5=CC(=C(C=C5)Cl)Cl)Cl)Cl","FCEWISVPFUXPPJ-UHFFFAOYSA-N","400871",NA,"PDBC10789","713549","Present"
-"1-[[5,6-Dichloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine","","","","","","","","","","","","","","","","","","","","1-{[5,6-Dichloro-2-(4-chlorobenzyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine","","C1CCN2CCCC(C2C1)CN3C4=CC(=C(C=C4N=C3CC5=CC=C(C=C5)Cl)Cl)Cl","YMHLYVNMSKUMPA-UHFFFAOYSA-N","400870",NA,"PDBC10790","713548","Present"
-"1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-ethyl-urea","","","","","","","","","","","","","","","","","","","","1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-ethyl-urea","","CCNC(=O)NNC1=C2C(=CN(C2=NC=N1)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl","QHBSSPKZAXAUCM-UHFFFAOYSA-N","380846",NA,"PDBC10791","666585","Present"
-"1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-methyl-thiourea","","","","","","","","","","","","","","","","","","","","1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-methyl-thiourea","","CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NNC(=S)NC)C4=CC=C(C=C4)Cl","DJIKSNHKQYWDTR-UHFFFAOYSA-N","3001720",NA,"PDBC10792","667706","Present"
-"1-[[5-[8-[5-[(2-Hydroxy-1-naphthyl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","1-[[5-[8-[5-[(2-Hydroxynaphthalen-1-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-2-ol","","C1=CC=C2C(=C1)C=CC(=C2OCC3=NN=C(O3)CCCCCCCCC4=NN=C(O4)COC5=C(C=CC6=CC=CC=C65)O)O","UPLMSLXEWJXWCO-UHFFFAOYSA-N","394040",NA,"PDBC10793","697158","Present"
-"1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid 2-ethoxyethyl ester","","","","","","","","","","","","","","","","","","","","1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid 2-ethoxyethyl ester","","CCOCCOC(=O)C1CCC(=O)N1CN(C2=C(C=CC(=C2)OC)OC)C(=O)C","MTIZIENTPWKXLU-UHFFFAOYSA-N","389184",NA,"PDBC10794","684868","Present"
-"1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester","","CC(=O)N(CN1C(CCC1=O)C(=O)OC)C2=C(C=CC(=C2)OC)OC","PXJHNACNUGYORM-UHFFFAOYSA-N","389181",NA,"PDBC10795","684865","Present"
-"1-[[Acetyl(2-chlorophenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","1-[[Acetyl(2-chlorophenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester","","CC(=O)N(CN1C(CCC1=O)C(=O)OC)C2=CC=CC=C2Cl","KNXINTKZSLUNCY-UHFFFAOYSA-N","389183",NA,"PDBC10796","684867","Present"
-"1-[[Acetyl(3-hydroxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","1-[[Acetyl(3-hydroxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester","","CC(=O)N(CN1C(CCC1=O)C(=O)OC)C2=CC(=CC=C2)O","QYNQYVYDOIWELF-UHFFFAOYSA-N","389182",NA,"PDBC10797","684866","Present"
-"1-[[Phenyl(4-chlorophenyl)methylene]amino]guanidine","","","","","","","","","","","","","","","","","","","","1-[[Phenyl(4-chlorophenyl)methylene]amino]guanidine","","C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=C(C=C2)Cl","DGYCGNBYYCUOGA-AQTBWJFISA-N","5356780",NA,"PDBC10798","66301","Present"
-"1-[[[(Benzofuran-2-yl)carbonyl)amino]-1-H-indol-2-yl]carbonyl]-3-chloromethyl-6-nitroindoline","","","","","","","","","","","","","","","","","","","","1-[[[(Benzofuran-2-yl)carbonyl)amino]-1-H-indol-2-yl]car...","","C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C=C2)[N+](=O)[O-])CCl","BTDMGFMUVHUHJK-UHFFFAOYSA-N","5470091",NA,"PDBC10799","697538","Present"
-"1-[[[2,5-Dioxo-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]amino]methylamino]-4-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","1-((((2,5-Dioxo-4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)amino)methyl)amino)-4-(3-(trifluoromethyl)phenyl)-2,5-piperazinedione","","C1C(=O)N(CC(=O)N1C2=CC=CC(=C2)C(F)(F)F)NCNN3CC(=O)N(CC3=O)C4=CC=CC(=C4)C(F)(F)F","NNPNNNXAZQAKOD-UHFFFAOYSA-N","376336",NA,"PDBC10800","657168","Present"
-"1-[[[2-(1H-Indole-3-yl)ethyl]thiocarbamoyl]methyl]-5-methylpyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","1-[[[2-(1H-Indole-3-yl)ethyl]thiocarbamoyl]methyl]-5-methylpyrimidine-2,4(1H,3H)-dione","","CC1=CN(C(=O)NC1=O)CC(=S)NCCC2=CNC3=CC=CC=C32","BKQNJMJREZUSMX-UHFFFAOYSA-N","5471196",NA,"PDBC10801","709421","Present"
-"1-[alpha-(Phenylacetylamino)-4-chlorobenzyl]naphthalene-2-ol","","","","","","","","","","","","","","","","","","","","NSC766728","","C1=CC=C(C=C1)CC(=O)NC(C2=CC=C(C=C2)Cl)C3=C(C=CC4=CC=CC=C43)O","UANYQOUDIMIUKC-UHFFFAOYSA-N","2877048",NA,"PDBC10802","766728","Present"
-"1-[bis(4,4'-aminophenyl)methylidenyl]-[3]ferrocenophane","","","","","","","","","","","","","","","","","","","","1-[bis(4,4'-aminophenyl)methylidenyl]-[3]ferrocenophane","","","","",NA,"PDBC10803","754385","Present"
-"1-[m-Anisidic anilino malonyl]-3-methyl-4-[4'-beta-sulphato ethyl sulphonyl phenyl azo]-5-pyrazolone","","","","","","","","","","","","","","","","","","","","1-[m-Anisidic anilino malonyl]-3-methyl-4-[4'-.beta.-sul...","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)CC(=O)NC3=CC(=CC=C3)OC","LPUWLNVSEDDHLW-UHFFFAOYSA-N","385612",NA,"PDBC10804","676917","Present"
-"1-[m-Anisidic anilino malonyl]-3-phenyl-4-[4'-(beta-sulphato ethyl sulphonyl)phenyl azo]-5-pyrazolone","","","","","","","","","","","","","","","","","","","","1-[m-Anisidic anilino malonyl]-3-phenyl-4-[4'-(.beta.-su...","","COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O","IVGSVSZOUKWIEU-UHFFFAOYSA-N","385614",NA,"PDBC10805","676919","Present"
-"1-[m-Methyl anilino malonyl]-3-(N-methyl anilino)-5-(phenyl)pyrazoline","","","","","","","","","","","","","","","","","","","","1-[m-Methyl anilino malonyl]-3-(N-methyl anilino)-5-(phe...","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(C)C3=CC=CC=C3)C4=CC=CC=C4","GVSXYQREVKNCSJ-UHFFFAOYSA-N","385616",NA,"PDBC10806","676921","Present"
-"1-[m-Methyl anilino malonyl]-3-methyl-4-[4'-beta-sulphato ethyl sulphonyl phenyl azo]-5-pyrazolone","","","","","","","","","","","","","","","","","","","","1-[m-methyl anilino malonyl]-3-methyl-4-[4'-.beta.-sulph...","","CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O","GVZLFFMMHWPJBX-UHFFFAOYSA-N","385611",NA,"PDBC10807","676916","Present"
-"1-[p-(2-Pyridylsulfamoyl)phenyl-2-(3-carboxy-4-hydroxy phenyl)4-butyl-3,5-dioxopyrazolidine.","","","","","","","","","","","","","","","","","","","","1-[p-(2-Pyridylsulfamoyl)phenyl-2-(3-carboxy-4-hydroxy p...","","CCCCC1C(=O)N(N(C1=O)C2=CC(=C(C=C2)O)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4","FARDCUBSBILIPL-UHFFFAOYSA-N","389714",NA,"PDBC10808","686306","Present"
-"1-[p-Chloro-anilino malonyl]-3-phenyl, 4-[4'-(beta-sulphato ethyl sulphonyl)phenyl azo]-5-pyrazolone","","","","","","","","","","","","","","","","","","","","1-[p-Chloro-anilino malonyl]-3-phenyl, 4-[4'-(.beta.-sul...","","C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)C(=O)CC(=O)NC4=CC=C(C=C4)Cl","GCTRZMJATBBHAG-UHFFFAOYSA-N","385615",NA,"PDBC10809","676920","Present"
-"1-[p-Methyl anilino malonyl]-3-phenyl, 4-[4'-beta-sulphato ethyl sulphonyl phenyl azo]-5-pyrazolone","","","","","","","","","","","","","","","","","","","","1-[p-methyl anilino malonyl]-3-phenyl, 4-[4'-.beta.-sulp...","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O","IMIXQRFYYODIPK-UHFFFAOYSA-N","385613",NA,"PDBC10810","676918","Present"
-"1-[p-Methylanilinomalonyl]-3,5-dimethyl-4-[4'betasulphatoethyl sulphonyl phenyl azo]pyrazole","","","","","","","","","","","","","","","","","","","","1-[p-methylanilinomalonyl]-3,5-dimethyl-4-[4'.beta.sulph...","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)C","UOZNFDQSHMLXCP-UHFFFAOYSA-N","385610",NA,"PDBC10811","676915","Present"
-"1-decarboxy-3-oxo-ceanothic acid","","","","","","","","","","","","","","","","","","","","1-decarboxy-3-oxo-ceanothic acid","","CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(=O)C5(C)C)C)C)C(=O)O","NUDCZUBEFGYVSS-OCBSILMYSA-N","399425",NA,"PDBC10812","710207","Present"
-"1-hydroxy-2-naphthopiperidide","","","","","","","","","","","","","","","","","","","","1-hydroxy-2-naphthopiperidide","","C1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3C=C2)O","FQCIVXJPSZVUCI-UHFFFAOYSA-N","98661",NA,"PDBC10813","158016","Present"
-"1-m-Chloroanilino malonyl-3-indolo-5-phenyl pyrazoline","","","","","","","","","","","","","","","","","","","","1-m-Chloroanilino malonyl-3-indolo-5-phenyl pyrazoline","","C1C(N(N=C1N2C=CC3=CC=CC=C32)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5","ASGUZCKJRODRPP-UHFFFAOYSA-N","366995",NA,"PDBC10814","636190","Present"
-"1-m-Methoxyanilino malonyl-3-indolo-5-phenyl pyrazoline","","","","","","","","","","","","","","","","","","","","1-m-Methoxyanilino malonyl-3-indolo-5-phenyl pyrazoline","","COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(CC(=N2)N3C=CC4=CC=CC=C43)C5=CC=CC=C5","IRSNLNNKVRDLIV-UHFFFAOYSA-N","366994",NA,"PDBC10815","636189","Present"
-"1-methyl-3-[?]yl-urea","","","","","","","","","","","","","","","","","","","","1-methyl-3-[?]yl-urea","","CNC(=O)NC1=CC2=C3C(=C1)CCCN3CCC2","ZFFAARNDSWKVLX-UHFFFAOYSA-N","377663",NA,"PDBC10816","659244","Present"
-"1-o-Chloroanilinomalonyl-3-indolo-5-phenyl pyrazoline","","","","","","","","","","","","","","","","","","","","1-o-Chloroanilinomalonyl-3-indolo-5-phenyl pyrazoline","","C1C(N(N=C1N2C=CC3=CC=CC=C32)C(=O)CC(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5","XHACQZOAVNSCDG-UHFFFAOYSA-N","366993",NA,"PDBC10817","636188","Present"
-"1-p-Anisyl-3-(N,N-dimethyl-p-aminophenyl)-4,5-bis(p-anisylimino)imidazolidin-2-thione","","","","","","","","","","","","","","","","","","","","1-p-Anisyl-3-(N,N-dimethyl-p-aminophenyl)-4,5-bis(p-anis...","","CN(C)C1=CC=C(C=C1)N2C(=NC3=CC=C(C=C3)OC)C(=NC4=CC=C(C=C4)OC)N(C2=S)C5=CC=C(C=C5)OC","OFQDDTLVBDRDIE-UHFFFAOYSA-N","383280",NA,"PDBC10818","671394","Present"
-"1-p-Chloroanilinomalonyl-3-indolo-5-phenylpyrazoline","","","","","","","","","","","","","","","","","","","","1-p-Chloroanilinomalonyl-3-indolo-5-phenylpyrazoline","","C1C(N(N=C1N2C=CC3=CC=CC=C32)C(=O)CC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","VZKAHNOMOTTXEE-UHFFFAOYSA-N","366992",NA,"PDBC10819","636187","Present"
-"1-p-Chlorophenyl-2-thioxo-4-aminoquinolino[2,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","1-p-chlorophenyl-2-thioxo-4-aminoquinolino[2,3-d]pyrimidine","","C1=CC=C2C(=C1)C=C3C(=NC(=S)N(C3=N2)C4=CC=C(C=C4)Cl)N","XCOXFKCLKLOBSD-UHFFFAOYSA-N","5472852",NA,"PDBC10820","722162","Present"
-"1-piperazineacetamide,4-methyl-n-1-naphthyl- (6ci)","","","","","","","","","","","","","","","","","","","","1-piperazineacetamide,4-methyl-n-1-naphthyl- (6ci)","","CN1CCN(CC1)CC(=O)NC2=CC=CC3=CC=CC=C32","CMTUPMBBIOPRFL-UHFFFAOYSA-N","384500",NA,"PDBC10821","674348","Present"
-"1-piperidinecarbodithioic acid, antimony complex","","","","","","","","","","","","","","","","","","","","NSC625495///NSC625501","","","","",NA,"PDBC10822","625495///625501","Present"
-"1-t-Buthoxycarbonyl-2-(1-piperidyl)-2'-methylthiospiro[indol ine 3,2' thiazolidine]","","","","","","","","","","","","","","","","","","","","1-t-buthoxycarbonyl-2-(1-piperidyl)-2'-methylthiospiro[i...","","CC(C)(C)OC(=O)N1C(C2(CN=C(S2)SC)C3=CC=CC=C31)N4CCCCC4","WWAIZMROJKIPAL-UHFFFAOYSA-N","24205477",NA,"PDBC10823","736014","Present"
-"1-{2-[(2E)-2-(1-{3-[(3,4-Dimethylphenyl)amino]-3-oxopropyl}-4,4-dimethyl-3-oxopentylidene)hydrazino]-2-oxoethyl}pyridinium chloride","","","","","","","","","","","","","","","","","","","","(4E)-N-(3,4-Dimethylphenyl)-7,7-dimethyl-6-oxo-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]octanamide;chloride","","CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C[N+]2=CC=CC=C2)CC(=O)C(C)(C)C)C.[Cl-]","NBYKHSPHEXRDET-XTNAOULASA-N","9574379",NA,"PDBC10824","630355","Present"
-"1-{2-[(2E)-2-(1-{3-[(4-Chloro-2-methylphenyl)amino]-3-oxopropyl}-4-methyl-3-oxopentylidene)hydrazino]-2-oxoethyl}pyridinium chloride","","","","","","","","","","","","","","","","","","","","(4E)-N-(4-Chloro-2-methylphenyl)-7-methyl-6-oxo-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]octanamide;chloride","","CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=NNC(=O)C[N+]2=CC=CC=C2)CC(=O)C(C)C.[Cl-]","UAKQUTAMVCSIEY-MGXPCBRFSA-N","9555800",NA,"PDBC10825","630354","Present"
-"1-{2-[(2E)-2-(5-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-1-{[(6-nitro-1,3-benzothiazol-2-yl)amino]carbonyl}-3-oxo-5-phenylpentylidene)hydrazino]-2-oxoethyl}pyridinium chloride","","","","","","","","","","","","","","","","","","","","(2E)-6-(4-Hydroxy-2-oxochromen-3-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-6-phenyl-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]hexanamide;chloride","","C1=CC=C(C=C1)C(CC(=O)CC(=NNC(=O)C[N+]2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=C(C6=CC=CC=C6OC5=O)O.[Cl-]","XEESERSVBPWKGU-UHFFFAOYSA-N","54699191",NA,"PDBC10826","647115","Present"
-"1-{2-[4-(1-Benzyl-4-chloro-2,5-dihydro-1H-3-pyrrol ylamino)phenylcarboxamido]ethyl}-3,4-dimethoxybenzene","","","","","","","","","","","","","","","","","","","","1-{2-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-py...","","COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl)OC","KPLDBPJRFJPJDN-UHFFFAOYSA-N","1194992",NA,"PDBC10827","732832","Present"
-"1-{7-[Bis(2-chloroethyl)amino]-9h-fluoren-2-yl}-3-propylurea","","","","","","","","","","","","","","","","","","","","1-{7-[Bis(2-chloroethyl)amino]-9h-fluoren-2-yl}-3-propylurea","","CCCNC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N(CCCl)CCCl","GLJZANKYEVWKEB-UHFFFAOYSA-N","256452",NA,"PDBC10828","83327","Present"
-"1-{Ethyl 3-methylthieno[2,3-d]pyrimidin-6-thiol-2-carboxylate-4-yl}th iourea","","","","","","","","","","","","","","","","","","","","1-{Ethyl 3-methylthieno[2,3-d]pyrimidin-6-thiol-2-carbox...","","CCOC(=O)C1=C(C2=C(NC(=S)N=C2S1)NC(=S)N)C","XOPWEUQYYHDBTL-UHFFFAOYSA-N","5473232",NA,"PDBC10829","724530","Present"
-"1-{[(1E)-1,3,4,4-Tetrachloro-2-nitro-1,3-butadienyl]sulfanyl}benzene","","","","","","","","","","","","","","","","","","","","1,3-Butadiene, 1,1,2,4-tetrachloro-3-nitro-4-(phenylthio)-","","C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])Cl","NIFFNYXRSDRUQE-NTMALXAHSA-N","6518457",NA,"PDBC10830","665102","Present"
-"1-{[(1R,5R,8S,12R,13R)-1,5-Dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl}-4-{[1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(tr ifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.0 8,13]methyl}piperazine","","","","","","","","","","","","","","","","","","","","1-{[(1R,4S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluorometh...","","CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)CN5CCN(CC5)CC6=C(OC7C89C6CCC(C8CCC(O7)(OO9)C)C)C(F)(F)F","DCZQSZBJFJZLCK-VOPARTLESA-N","54612639",NA,"PDBC10831","724779","Present"
-"1-{[2-(Diethylamino)ethyl]amino}-7-hydroxy-4-methyl-9H-thioxanthen-9-one--hydrogen iodide (1/1)","","","","","","","","","","","","","","","","","","","","9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-7...","","CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=C(C=C3)O.I","XNQPDXXSAUJASE-UHFFFAOYSA-N","13504750",NA,"PDBC10832","317921","Present"
-"1-{[3-Chloro-4-(fluorosulfonyl)phenyl]methyl}-3-[2-(3,4-dichlorophenoxy)acetamido]pyridin-1-ium bromide","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride;bromide","","C1=CC(=C[N+](=C1)CC2=CC(=C(C=C2)S(=O)(=O)F)Cl)NC(=O)COC3=CC(=C(C=C3)Cl)Cl.[Br-]","LGNTXNBVFLSKEV-UHFFFAOYSA-N","24196248",NA,"PDBC10833","212068","Present"
-"1.7.10.16-Tetraoxa-4,13-diazacyclooctadecanetetrachloro-platinum(IV)","","","","","","","","","","","","","","","","","","","","1.7.10.16-Tetraoxa-4,13-diazacyclooctadecanetetrachloro-...","","C1C[OH+]CC[OH+]CCNCC[OH+]CC[OH+]CCN1.[Cl-].[Pt+4]","LAEKARBUNULPBR-UHFFFAOYSA-Q","54608587",NA,"PDBC10834","632872","Present"
-"1.8-DIPHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE","","","","","","","","","","","","","","","","","","","","1.8-DIPHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4-e]pyrimidino[1,...","","C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C4C(=N3)C(=NN4C5=CC=CC=C5)C(=O)C6=CC=CC=C6","MWQNNEIFECLINR-UHFFFAOYSA-N","45028001",NA,"PDBC10835","740551","Present"
-"1.alpha.,2.alpha.-epxoyscillirosidin","","","","","","","","","","","","","","","","","","","","1.alpha.,2.alpha.-epxoyscillirosidin","","CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(C6C5O6)O)C)O","PQPYOTABGNYENP-UHFFFAOYSA-N","272581",NA,"PDBC10836","117180","Present"
-"10(4-Chloro phenyl)-3-(4-methyl piperazin-1-yl)phenazin-2(10H)-imine","","","","","","","","","","","","","","","","","","","","10(4-Chloro phenyl)-3-(4-methyl piperazin-1-yl)phenazin-...","","CN1CCN(CC1)C2=CC3=NC4=CC=CC=C4N(C3=CC2=N)C5=CC=C(C=C5)Cl","VPIKKFBSCJWEFK-UHFFFAOYSA-N","24205416",NA,"PDBC10837","735465","Present"
-"10,10',24,24'-Tetratert-butyl-4,4'-spirobi[2,6-dioxa-14,17,20-triazatricyclo[20.4.0.07,12]hexacosa-1(22),7(12),8,10,23,25-hexaene]","","","","","","","","","","","","","","","","","","","","10,10',24,24'-Tetratert-butyl-4,4'-spirobi[2,6-dioxa-14,17,20-triazatricyclo[20.4.0.07,12]hexacosa-1(22),7(12),8,10,23,25-hexaene]","","CC(C)(C)C1=CC2=C(C=C1)OCC3(COC4=C(CNCCNCCNC2)C=C(C=C4)C(C)(C)C)COC5=C(CNCCNCCNCC6=C(C=CC(=C6)C(C)(C)C)OC3)C=C(C=C5)C(C)(C)C","JLCICKODKOLSQG-UHFFFAOYSA-N","391027",NA,"PDBC10838","689450","Present"
-"10,10'-Spirobi[5H-phenophosphazinin-10-ium];chloride","","","","","","","","","","","","","","","","","","","","NSC666489","","C1=CC=C2C(=C1)NC3=CC=CC=C3[P+]24C5=CC=CC=C5NC6=CC=CC=C46.[Cl-]","CHTGOEKFXVDVQP-UHFFFAOYSA-M","380778",NA,"PDBC10839","666489","Present"
-"10,10-Dibromoanthracen-9-one","","","","","","","","","","","","","","","","","","","","10,10-Dibromo-9(10H)-anthracenone","","C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(Br)Br","LVGLBCQZYRCDFB-UHFFFAOYSA-N","362108",NA,"PDBC10840","625637","Present"
-"10,10-Dichlorophenanthren-9-one","","","","","","","","","","","","","","","","","","","","NSC6339","","C1=CC=C2C(=C1)C3=CC=CC=C3C(C2=O)(Cl)Cl","QANSXTMDJJDZDU-UHFFFAOYSA-N","221527",NA,"PDBC10841","6339","Present"
-"10,10-Dimethyloctahydro-6,8b-ethanocyclopenta[de]isochromene-1,4-dione","","","","","","","","","","","","","","","","","","","","Quadrone","","CC1(CC23C4CCC1C2CC(=O)C3COC4=O)C","BBIDMUQZCCGABN-UHFFFAOYSA-N","197204",NA,"PDBC10842","284437","Present"
-"10,11-Dibromo-5H-dibenzo(A,D)cyclohepten-5-one","","","","","","","","","","","","","","","","","","","","10,11-Dibromo-5H-dibenzo(A,D)cyclohepten-5-one","","C1=CC=C2C(=C1)C(=C(C3=CC=CC=C3C2=O)Br)Br","RALNTXVWKBRYDU-UHFFFAOYSA-N","339483",NA,"PDBC10843","366220","Present"
-"10,11-Dihydropyrimido[1,2-a]perimidin-9(7H)-one","","","","","","","","","","","","","","","","","","","","10,11-Dihydropyrimido[1,2-a]perimidin-9(7H)-one","","C1CN2C3=CC=CC4=C3C(=CC=C4)NC2=NC1=O","QRSYZKHUGDLCAB-UHFFFAOYSA-N","369000",NA,"PDBC10844","640520","Present"
-"10,11-Dihydroxy-12-oxa-2,4,7-triazatricyclo[7.2.1.02,6]dodeca-3,5-diene-5-carboxamide","","","","","","","","","","","","","","","","","","","","10,11-Dihydroxy-12-oxa-2,4,7-triazatricyclo[7.2.1.02,6]dodeca-3,5-diene-5-carboxamide","","C1C2C(C(C(O2)N3C=NC(=C3N1)C(=O)N)O)O","OOELRVWZYQGNHL-UHFFFAOYSA-N","359914",NA,"PDBC10845","621610","Present"
-"10,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","10,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CC1=C2C(=CC=C1)C3=C(N2C)C4=C(C=C3)C(=O)C=CC4=O","HWLUVKAIGDZJOH-UHFFFAOYSA-N","372652",NA,"PDBC10846","648149","Present"
-"10,11-Methylenedioxy-20(RS)-camptothecin","","","","","","","","","","","","","","","","","","","","10,11-Methylenedioxy-20(RS)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)O","RPFYDENHBPRCTN-UHFFFAOYSA-N","366358",NA,"PDBC10847","606174","Present"
-"10,11-Methylenedioxy-20S-camptothecin","","","","","","","","","","","","","","","","","","","","10,11-methylenedioxycamptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)O","RPFYDENHBPRCTN-NRFANRHFSA-N","72403",NA,"PDBC10848","634724","Present"
-"10,13,28,31-Tetraoxapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),4,6,8,14,16,18,22,24,26,32,34-dodecaen-2,20-diyne","","","","","","","","","","","","","","","","","","","","10,13,28,31-Tetraoxapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),4,6,8,14,16,18,22,24,26,32,34-dodecaen-2,20-diyne","","C1COC2=CC=CC=C2C#CC3=CC=CC=C3OCCOC4=CC=CC=C4C#CC5=CC=CC=C5O1","FHYLKFGCTQRGOE-UHFFFAOYSA-N","397893",NA,"PDBC10849","706808","Present"
-"10,13-Bis((4-methylphenyl)sulfonyl)-1,4,7-trithia-10,13-diazacyclopentadecane","","","","","","","","","","","","","","","","","","","","10,13-Bis((4-methylphenyl)sulfonyl)-1,4,7-trithia-10,13-diazacyclopentadecane","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCSCCSCC2)S(=O)(=O)C3=CC=C(C=C3)C","WWDLYSAXDFIIDI-UHFFFAOYSA-N","373830",NA,"PDBC10850","650793","Present"
-"10,13-Dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one","","","","","","","","","","","","","","","","","","","","10,13-dimethyl-17-(2-(6-(methylthio)-9H-purin-9-yl)acety...","","CC12CCC3C(C1CCC2C(=O)CN4C=NC5=C4N=CN=C5SC)CCC6=CC(=O)CCC36C","ROIIRSXXBFLNGZ-UHFFFAOYSA-N","268748",NA,"PDBC10851","109131","Present"
-"10,13-Dimethyl-17-[2-(6-sulfanylidene-3H-purin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one","","","","","","","","","","","","","","","","","","","","21-(6-mercapto-9H-purin-9-yl)pregn-4-ene-3,20-dione","","CC12CCC3C(C1CCC2C(=O)CN4C=NC5=C4NC=NC5=S)CCC6=CC(=O)CCC36C","UWSZBXUQILDRMN-UHFFFAOYSA-N","5179836",NA,"PDBC10852","114792","Present"
-"10,14-Dimethyl-1,3,12,14-tetraza-10-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-4,6,8,10,12,15,17,19-octaene;iodide","","","","","","","","","","","","","","","","","","","","10,14-Dimethyl-1,3,12,14-tetraza-10-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-4,6,8,10,12,15,17,19-octaene;iodide","","CN1C2=CC=CC=C2N3C1=NC4=[N+](C5=CC=CC=C5N4C3)C.[I-]","LIGHSJVWPOLLTC-UHFFFAOYSA-M","404657",NA,"PDBC10853","721082","Present"
-"10,14-Dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4,6,8,11,15,17,19-octaene;iodide","","","","","","","","","","","","","","","","","","","","10,14-Dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4,6,8,11,15,17,19-octaene;iodide","","C1N2C3=CC=CC=C3SC2=NC4=[N+]1C5=CC=CC=C5S4.[I-]","AJWIBMAGPHEGHU-UHFFFAOYSA-M","404659",NA,"PDBC10854","721083","Present"
-"10,16-Dibromo-2,14-diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide","","","","","","","","","","","","","","","","","","","","10,16-Dibromo-2,14-diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide","","C1N2C=C(C3=CC=CC=C3C2=NC4=[N+]1C=C(C5=CC=CC=C54)Br)Br.[I-]","ADTCHPRGRVJTBH-UHFFFAOYSA-M","404655",NA,"PDBC10855","721081","Present"
-"10,18-Dioxa-2,26,32-triazapentacyclo[25.2.2.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,12(32),13,15,19,21,23,25,27(31),28-tetradecaene","","","","","","","","","","","","","","","","","","","","10,18-Dioxa-2,26,32-triazapentacyclo[25.2.2.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,12(32),13,15,19,21,23,25,27(31),28-tetradecaene","","C1C2=NC(=CC=C2)COC3=CC=CC=C3C=NC4=CC=C(C=C4)N=CC5=CC=CC=C5O1","MWNGRIIXXJKINO-UHFFFAOYSA-N","388223",NA,"PDBC10856","682816","Present"
-"10,18-Dioxa-2,26,32-triazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(31),2,4,6,8,12(32),13,15,19,21,23,25,27,29-tetradecaene-29-carboxylic acid","","","","","","","","","","","","","","","","","","","","10,18-Dioxa-2,26,32-triazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(31),2,4,6,8,12(32),13,15,19,21,23,25,27,29-tetradecaene-29-carboxylic acid","","C1C2=NC(=CC=C2)COC3=CC=CC=C3C=NC4=CC(=CC(=C4)N=CC5=CC=CC=C5O1)C(=O)O","ACWTXEVTTCLOIU-UHFFFAOYSA-N","403701",NA,"PDBC10857","718892","Present"
-"10,22-Dimethoxy-12,20-dioxa-6,26,34-triazahexacyclo[25.2.2.22,5.28,11.221,24.114,18]octatriaconta-1(30),2(38),3,5(37),6,8,10,14(34),15,17,21,23,25,27(31),28,32,35-heptadecaene","","","","","","","","","","","","","","","","","","","","10,22-Dimethoxy-12,20-dioxa-6,26,34-triazahexacyclo[25.2.2.22,5.28,11.221,24.114,18]octatriaconta-1(30),2(38),3,5(37),6,8,10,14(34),15,17,21,23,25,27(31),28,32,35-heptadecaene","","COC1=C2C=CC(=C1)C=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=CC5=CC(=C(C=C5)OCC6=CC=CC(=N6)CO2)OC","GZVQBZANOWDSAV-UHFFFAOYSA-N","388227",NA,"PDBC10858","682820","Present"
-"10,23-Dinitro-6,19-dioxa-1,14,27,28-tetrazapentacyclo[18.6.1.17,14.08,13.021,26]octacosa-7(28),8(13),9,11,20(27),21(26),22,24-octaene","","","","","","","","","","","","","","","","","","","","10,23-Dinitro-6,19-dioxa-1,14,27,28-tetrazapentacyclo[18.6.1.17,14.08,13.021,26]octacosa-7(28),8(13),9,11,20(27),21(26),22,24-octaene","","C1CCOC2=NN(CCCCOC3=NN(C1)C4=C3C=C(C=C4)[N+](=O)[O-])C5=C2C=C(C=C5)[N+](=O)[O-]","PKLXIQMORGRBLV-UHFFFAOYSA-N","384441",NA,"PDBC10859","674222","Present"
-"10,5-(Iminomethano)-10H-benzo[4',5']cyclohepta[1',2':4,5]benzo[1,2-d]-1,3-dioxole-10-carbonitrile, 13-benzoyl-5,11-dihydro-14-methoxy-","","","","","","","","","","","","","","","","","","","","20-Benzoyl-19-methoxy-5,7-dioxa-20-azapentacyclo[10.6.2.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-12-carbonitrile","","COC1C2C3=CC=CC=C3C(N1C(=O)C4=CC=CC=C4)(CC5=CC6=C(C=C25)OCO6)C#N","KHDMSASMKBVHGF-UHFFFAOYSA-N","363304",NA,"PDBC10860","628123","Present"
-"10,5-(Iminomethano)-10H-dibenzo[a,d]cycloheptene-10-carbonitrile, 12-benzoyl-5,11-dihydro-13-hydroxy-2,3-dimethoxy-","","","","","","","","","","","","","","","","","","","","17-Benzoyl-16-hydroxy-4,5-dimethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-9-carbonitrile","","COC1=C(C=C2C3C(N(C(CC2=C1)(C4=CC=CC=C34)C#N)C(=O)C5=CC=CC=C5)O)OC","CINWENVJZDGYQE-UHFFFAOYSA-N","363307",NA,"PDBC10861","628126","Present"
-"10,5-(Nitrilometheno)-10H-dibenzo[a,d]cycloheptene-10-carboxylic acid, 5,11-dihydro-2,3-dimethoxy-","","","","","","","","","","","","","","","","","","","","4,5-Dimethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene-9-carboxylic acid","","COC1=C(C=C2C3C=NC(CC2=C1)(C4=CC=CC=C34)C(=O)O)OC","NSUDYULBWAJZPC-UHFFFAOYSA-N","363206",NA,"PDBC10862","627880","Present"
-"10-((3-(Diethylamino)propyl)amino)-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one","","","","","","","","","","","","","","","","","","","","10-((3-(Diethylamino)propyl)amino)-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one","","CCN(CC)CCCNC1=NC=CC2=C(C3=C(C=C21)C(=O)C4=C(N3)C=CN=C4)C","URXKRPPJGJDRQW-UHFFFAOYSA-N","366887",NA,"PDBC10863","635930","Present"
-"10-(1,3-Dihydroxypropan-2-yloxymethyl)-11,12-dimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one","","","","","","","","","","","","","","","","","","","","10-(1,3-Dihydroxypropan-2-yloxymethyl)-11,12-dimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one","","CC1=C(N(C2=C1C3=NC(=O)CN3C(=N2)SC)COC(CO)CO)C","GRCXTBRLWQNSRU-UHFFFAOYSA-N","24205327",NA,"PDBC10864","735044","Present"
-"10-(1,3-Dihydroxypropan-2-yloxymethyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one","","","","","","","","","","","","","","","","","","","","10-(1,3-Dihydroxypropan-2-yloxymethyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one","","CC1=C(N(C2=C1C3=NC(=O)CN3C(=N2)SC)COC(CO)CO)C4=CC=CC=C4","PQMXTVAAHAHXAR-UHFFFAOYSA-N","24205328",NA,"PDBC10865","735045","Present"
-"10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,11,12-trimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one","","","","","","","","","","","","","","","","","","","","10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,11,12-trimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one","","CC1C(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C)C)SC","QISWESIGNNQKBY-UHFFFAOYSA-N","24205324",NA,"PDBC10866","735041","Present"
-"10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,12-dimethyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one","","","","","","","","","","","","","","","","","","","","10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,12-dimethyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one","","CC1C(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C4=CC=CC=C4)C)SC","JTOFKOHIHMZIEI-UHFFFAOYSA-N","24205323",NA,"PDBC10867","735040","Present"
-"10-(1-Azabicyclo[2.2.2]octan-3-yl)phenothiazine","","","","","","","","","","","","","","","","","","","","IBF-28145","","C1CN2CCC1C(C2)N3C4=CC=CC=C4SC5=CC=CC=C53","DZIUGYZZXPVEQO-UHFFFAOYSA-N","370124",NA,"PDBC10868","642716","Present"
-"10-(1-Benzylpiperidin-3-yl)-2-chlorophenothiazine;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","10-(1-Benzylpiperidin-3-yl)-2-chlorophenothiazine;(Z)-but-2-enedioic acid","","C1CC(CN(C1)CC2=CC=CC=C2)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=CC(=O)O)C(=O)O","VUWGYXVPXSEGMM-BTJKTKAUSA-N","5380916",NA,"PDBC10869","107237","Present"
-"10-(1-Naphthyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione","","","","","","","","","","","","","","","","","","","","Acridine-1,8-dione, 1,2,3,4,5,6,7,8,9,10-decahydro-, 5-(...","","C1CC2=C(CC3=C(N2C4=CC=CC5=CC=CC=C54)CCCC3=O)C(=O)C1","TWONXSIBWQBOKZ-UHFFFAOYSA-N","379941",NA,"PDBC10870","665133","Present"
-"10-(2',4'-dichlorophenyl)-3-methylflavin","","","","","","","","","","","","","","","","","","","","10-(2',4'-dichlorophenyl)-3-methylflavin","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=C(C=C(C=C4)Cl)Cl","VWWLDHTZVYONJZ-UHFFFAOYSA-N","362038",NA,"PDBC10871","625537","Present"
-"10-(2,2-Dimethyl-3-(dimethylamino)propyl)phenothiazine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC169466","","CC(C)(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.Cl","ORCHOKMEAFALDE-UHFFFAOYSA-N","212560",NA,"PDBC10872","169466","Present"
-"10-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-ylmethyl)anthracene-9-carbonitrile","","","","","","","","","","","","","","","","","","","","10-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-ylmethyl)anthracene-9-carbonitrile","","C1COCCOCCOC2=C(C=CC(=C2)CC3=C4C=CC=CC4=C(C5=CC=CC=C53)C#N)OCCOCCO1","LGEJZPKUPSNNKA-UHFFFAOYSA-N","370148",NA,"PDBC10873","642784","Present"
-"10-(2,6-Dibromo-4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","","","","","","","","","","","","","","","","","","","10-(2,6-Dibromo-4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","CC1=CC(=C(C(=C1)Br)N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)Br","UYMDGHLHGSAGKI-UHFFFAOYSA-N","379942",NA,"PDBC10874","665134","Present"
-"10-(2,8,8-Trimethyl-7,8,9,10-tetrahydro-1H-pyrido(2,3-b)carbazole-2,6-dion","","","","","","","","","","","","","","","","","","","","10-(2,4-Dichloro-benzyl)-5-hydroxy-4,8,8-trimethyl-7,8,9...","","CC1=CC(=O)NC2=CC3=C(C4=C(N3CC5=C(C=C(C=C5)Cl)Cl)CC(CC4=O)(C)C)C(=C12)O","QECNWTUMNNANBB-UHFFFAOYSA-N","45028005",NA,"PDBC10875","740555","Present"
-"10-(2-(Diethylamino)ethyl)-1,4-dihydroxy-9(10H)-acridinone","","","","","","","","","","","","","","","","","","","","9(10H)-Acridinone, 10-[2-(diethylamino)ethyl]-1,4-dihydr...","","CCN(CC)CCN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)O)O","FGMCSSRWWVDXPV-UHFFFAOYSA-N","5387719",NA,"PDBC10876","625992","Present"
-"10-(2-(Diethylamino)ethyl)-1,4-dimethoxy-9(10H)-acridinone","","","","","","","","","","","","","","","","","","","","10-(2-(Diethylamino)ethyl)-1,4-dimethoxy-9(10H)-acridinone","","CCN(CC)CCN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)OC)OC","IVUHEFXAWHNEER-UHFFFAOYSA-N","362331",NA,"PDBC10877","625990","Present"
-"10-(2-Carbamothioylhydrazinyl)-10-demethoxycolchicine mo...","","","","","","","","","","","","","","","","","","","","10-(2-Carbamothioylhydrazinyl)-10-demethoxycolchicine mo...","","CCOC(=O)C.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NNC(=S)N)OC)OC)OC","IYRRQVKDSHEXJD-RSAXXLAASA-N","54613618",NA,"PDBC10878","750423","Present"
-"10-(2-Ethoxybenzylidene)-9-anthrone","","","","","","","","","","","","","","","","","","","","10-[(2-Ethoxyphenyl)methylidene]anthracen-9-one","","CCOC1=CC=CC=C1C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42","PYHQRWGUQOENPZ-UHFFFAOYSA-N","328716",NA,"PDBC10879","308787","Present"
-"10-(2-Fluoro-4-methoxybenzyl)-10H-phenothiazine","","","","","","","","","","","","","","","","","","","","NSC789743","","COC1=CC(=C(C=C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)F","POKNTKJVOVUUJA-UHFFFAOYSA-N","132580699",NA,"PDBC10880","789743","Present"
-"10-(2-Methoxyethyl)-7,8-dihydro-6H-benzo[g]pteridine-2,4-diamine","","","","","","","","","","","","","","","","","","","","10-(2-Methoxyethyl)-7,8-dihydro-6H-benzo[g]pteridine-2,4-diamine","","COCCN1C2=CCCCC2=NC3=C(N=C(N=C31)N)N","CEPFYRZQRZLVCR-UHFFFAOYSA-N","363355",NA,"PDBC10881","628238","Present"
-"10-(3,3,7,10-Tetrahydro-[1,4]dioxino[2,3-g]furo[3,4-b]quinolin-9(6H)-one","","","","","","","","","","","","","","","","","","","","10-(3,4-dimethoxyphenyl)-6-(2-hydroxyethyl)-2,3,7,10-tet...","","COC1=C(C=C(C=C1)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4)OC","LQMJEUZRRGSDKY-UHFFFAOYSA-N","50900826",NA,"PDBC10882","750721","Present"
-"10-(3,4,5-Trimethoxyphenyl)-4-(2-hydroxyethyl)-3,4,6,7,8,10-hexahydro-1H-2-oxa-4-azadicyclopenta[b,g]naphthalene-1-one","","","","","","","","","","","","","","","","","","","","4-(2-hydroxyethyl)-10-(3,4,5-trimethoxyphenyl)-3,4,6,7,8...","","COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO","BUGBBPQKQPQAAO-UHFFFAOYSA-N","50900822",NA,"PDBC10883","750212","Present"
-"10-(3-(1-Azaspiro[4.5]dec-1-yl)propyl)-2-chloro-10H-phenothiazine","","","","","","","","","","","","","","","","","","","","10-(3-(1-Azaspiro[4.5]dec-1-yl)propyl)-2-chloro-10H-phenothiazine","","C1CCC2(CC1)CCCN2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl","JGALTZABCXYMHO-UHFFFAOYSA-N","227840",NA,"PDBC10884","19976","Present"
-"10-(3-(4-Methoxyphenyl)propyl)-10H-phenothiazine","","","","","","","","","","","","","","","","","","","","10-(3-(4-Methoxyphenyl)propyl)-10H-phenothiazine","","COC1=CC=C(C=C1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42","OYUUBIPNHSMIAJ-UHFFFAOYSA-N","373886",NA,"PDBC10885","650878","Present"
-"10-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione","","","","","","","","","","","","","","","","","","","","10-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione","","CN1C2=C(C(=O)N(C1=O)C)N3CCCC(=O)N(C3=N2)CC(CCl)O","DJBFBWBLPIJUBS-UHFFFAOYSA-N","392203",NA,"PDBC10886","692336","Present"
-"10-(3-Chloropropyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione","","","","","","","","","","","","","","","","","","","","10-(3-Chloropropyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione","","CN1C2=C(C(=O)N(C1=O)C)N3CCCC(=O)N(C3=N2)CCCCl","QHEKFCLTQVLEEM-UHFFFAOYSA-N","392202",NA,"PDBC10887","692335","Present"
-"10-(3-Chloropropyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one","","","","","","","","","","","","","","","","","","","","10-(3-Chloropropyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one","","CC1=C(N(C2=C1C3=NC(=O)CN3C(=N2)SC)CCCCl)C4=CC=CC=C4","GAHLXAXWZNPBLQ-UHFFFAOYSA-N","54612838",NA,"PDBC10888","748286","Present"
-"10-(3-Nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione","","","","","","","","","","","","","","","","","","","","10-(3-Nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione","","C1CC2=C(CC3=C(N2C4=CC(=CC=C4)[N+](=O)[O-])CCCC3=O)C(=O)C1","APRPTHKQNLKGCM-UHFFFAOYSA-N","379943",NA,"PDBC10889","665135","Present"
-"10-(3-Phenothiazin-10-ylpropyl)phenothiazine","","","","","","","","","","","","","","","","","","","","10-(3-Phenothiazin-10-ylpropyl)phenothiazine","","C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCN4C5=CC=CC=C5SC6=CC=CC=C64","XLLWOSLGCRPBEZ-UHFFFAOYSA-N","377566",NA,"PDBC10890","659131","Present"
-"10-(4-Butoxyphenoxy)-N,N,N-trimethyldecan-1-aminium bromide","","","","","","","","","","","","","","","","","","","","1-Decanaminium, 10-(4-butoxyphenoxy)-N,N,N-trimethyl-, b...","","CCCCOC1=CC=C(C=C1)OCCCCCCCCCC[N+](C)(C)C.[Br-]","XLFNXXSMHSQRJZ-UHFFFAOYSA-M","21144582",NA,"PDBC10891","175996","Present"
-"10-(4-Chlorobutyl)-1,3,4-trifluoro-10H-phenothiazin-2-amine","","","","","","","","","","","","","","","","","","","","10-(4-Chlorobutyl)-1,3,4-trifluoro-10H-phenothiazin-2-amine","","C1=CC=C2C(=C1)N(C3=C(S2)C(=C(C(=C3F)N)F)F)CCCCCl","LNIQQOSWYCHZHX-UHFFFAOYSA-N","385623",NA,"PDBC10892","676962","Present"
-"10-(4-Chlorobutyl)-1,3,4-trifluoro-2-nitrophenothiazine","","","","","","","","","","","","","","","","","","","","10H-Phenothiazine, 10-(4-chlorobutyl)-1,3,4-trifluoro- 2...","","C1=CC=C2C(=C1)N(C3=C(C(=C(C(=C3S2)F)F)[N+](=O)[O-])F)CCCCCl","XBXKXDVDDODFII-UHFFFAOYSA-N","385935",NA,"PDBC10893","677398","Present"
-"10-(4-Chlorobutyl)-3-nitrophenothiazine","","","","","","","","","","","","","","","","","","","","10-(4-Chlorobutyl)-3-nitrophenothiazine","","C1=CC=C2C(=C1)N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCCCCl","SQVNSHSOPIAHBP-UHFFFAOYSA-N","384900",NA,"PDBC10894","675588","Present"
-"10-(4-Chlorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine","","","","","","","","","","","","","","","","","","","","10-(4-Chlorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine","","C1CC2=CC=CC=C2C3=NC4=C(N=C(N=C4NC(C31)C5=CC=C(C=C5)Cl)N)N","MSMNHRUJBYREDU-UHFFFAOYSA-N","46838535",NA,"PDBC10895","749650","Present"
-"10-(4-Chlorophenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","","","","","","","","","","","","","","","","","","","10-(4-Chlorophenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","C1CC2=C(CC3=C(N2C4=CC=C(C=C4)Cl)CCCC3=O)C(=O)C1","WJFHBAKCISCWCM-UHFFFAOYSA-N","379939",NA,"PDBC10896","665131","Present"
-"10-(4-Chlorophenyl)-9-methyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","","","","","","","","","","","","","","","","","","","10-(4-Chlorophenyl)-9-methyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","CC1C2=C(CCCC2=O)N(C3=C1C(=O)CCC3)C4=CC=C(C=C4)Cl","KOOUCQCKDMTRLQ-UHFFFAOYSA-N","379946",NA,"PDBC10897","665138","Present"
-"10-(4-Fluorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine","","","","","","","","","","","","","","","","","","","","10-(4-Fluorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine","","C1CC2=CC=CC=C2C3=NC4=C(N=C(N=C4NC(C31)C5=CC=C(C=C5)F)N)N","DNVQIUSHIPXGAR-UHFFFAOYSA-N","46838670",NA,"PDBC10898","749651","Present"
-"10-(4-Fluorophenyl)-6-methylsulfanyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione","","","","","","","","","","","","","","","","","","","","10-(4-Fluorophenyl)-6-methylsulfanyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione","","CSC1=NC2=C(C(=O)N1)N=C3C(C(N2)C4=CC=C(C=C4)F)C(=O)C5=CC=CC=C53","VJCSUDIJZWZJPU-UHFFFAOYSA-N","135958525",NA,"PDBC10899","746608","Present"
-"10-(4-Iodophenyl)-7,7,11-trimethyl-2-methylsulfanyl-3-phenoxy-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one","","","","","","","","","","","","","","","","","","","","9H-Azetidino[1,2-a]pyrrolo[3,2-c]azepin-8(7H)-one, 3,4,5...","","CC1=CC2=C(N1C3=CC=C(C=C3)I)CC(CN4C2(C(C4=O)OC5=CC=CC=C5)SC)(C)C","LKPBYJVYDZDMCT-UHFFFAOYSA-N","395702",NA,"PDBC10900","700497","Present"
-"10-(4-Nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione","","","","","","","","","","","","","","","","","","","","10-(4-Nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione","","C1CC2=C(CC3=C(N2C4=CC=C(C=C4)[N+](=O)[O-])CCCC3=O)C(=O)C1","SOOVJBNIZSFYKV-UHFFFAOYSA-N","379944",NA,"PDBC10901","665136","Present"
-"10-(4-Tert-Butylphenyl)-3-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione","","","","","","","","","","","","","","","","","","","","10-(4-Tert-Butylphenyl)-3-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione","","CC1=CC=CC=C1N2C(=O)C3=CC4=CC=CC=C4N(C3=NC2=O)C5=CC=C(C=C5)C(C)(C)C","DLSUEFWESVISOA-UHFFFAOYSA-N","387345",NA,"PDBC10902","681089","Present"
-"10-(4-Tert-butylphenyl)-3-[2-(hydroxymethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","10-(4-Tert-butylphenyl)-3-[2-(hydroxymethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione","","CC(C)(C)C1=CC=C(C=C1)N2C3=CC=CC=C3C=C4C2=NC(=O)N(C4=O)C5=CC=CC=C5CO","QHQVMGDZIBWUBJ-UHFFFAOYSA-N","387343",NA,"PDBC10903","681087","Present"
-"10-(4-Tert-butylphenyl)-3-[2-(trifluoromethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","10-(4-Tert-butylphenyl)-3-[2-(trifluoromethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione","","CC(C)(C)C1=CC=C(C=C1)N2C3=CC=CC=C3C=C4C2=NC(=O)N(C4=O)C5=CC=CC=C5C(F)(F)F","WCJRXMPRWXOSMU-UHFFFAOYSA-N","387344",NA,"PDBC10904","681088","Present"
-"10-(6'-Ubiquinolyl)decyltriphenylphosphonium","","","","","","","","","","","","","","","","","","","","10-(6'-ubiquinolyl)decyltriphenylphosphonium","","CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","DMRUQISFVFDWGE-UHFFFAOYSA-M","24783759",NA,"PDBC10905","745025","Present"
-"10-(6,7-Dimethoxy-1-isoquinolinyl)-1,2-dimethoxy-9-anthrylamine","","","","","","","","","","","","","","","","","","","","10-(6,7-Dimethoxy-1-isoquinolinyl)-1,2-dimethoxy-9-anthrylamine","","COC1=C(C2=C(C3=CC=CC=C3C(=C2C=C1)C4=NC=CC5=CC(=C(C=C54)OC)OC)N)OC","CYOHXLOJNUNXSP-UHFFFAOYSA-N","366231",NA,"PDBC10906","634567","Present"
-"10-(Diiodomethylidene)phenanthren-9-one","","","","","","","","","","","","","","","","","","","","10-(diiodomethylene)-9(10)-phenanthrenone","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=C(I)I","XROGIZCTZXHJRQ-UHFFFAOYSA-N","400634",NA,"PDBC10907","712821","Present"
-"10-Acetoxy-6,7-dolabelladiene","","","","","","","","","","","","","","","","","","","","10-Acetoxy-6,18-dihydroxy-2,7-dolabelladiene","","CC1CC(C=C(CC(C2C(CCC2(C=C1)C)C(C)(C)O)OC(=O)C)C)O","VUXOPRKKIFEKKX-KYWRCKAPSA-N","5387257",NA,"PDBC10908","622253","Present"
-"10-Acetylsalicyldithranol","","","","","","","","","","","","","","","","","","","","10-Acetylsalicyldithranol","","CC(=O)OC1=CC=CC=C1C(=O)C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O","AKCGRQGFZVKXMY-UHFFFAOYSA-N","125294",NA,"PDBC10909","641172","Present"
-"10-Amino-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione","","","","","","","","","","","","","","","","","","","","5-Amino-10,16-bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione","","CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)N)CCN(C)C","RZGGHEGQYNEYLI-UHFFFAOYSA-N","399633",NA,"PDBC10910","710550","Present"
-"10-Amino-7-trimethylsilylethylcamptothecin","","","","","","","","","","","","","","","","","","","","10-Amino-7-trimethylsilylethylcamptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)N)N=C4C3=C2)CC[Si](C)(C)C)O","VSMBGKVBFJABOI-VWLOTQADSA-N","400461",NA,"PDBC10911","712201","Present"
-"10-Aminocamptothecin","","","","","","","","","","","","","","","","","","","","antineoplastic-652524","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O","MVUUMBZAHAKPKQ-FQEVSTJZSA-N","104986",NA,"PDBC10912","652524","Present"
-"10-Anilino-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;methanol;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","10-Anilino-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;methanol;2,2,2-trifluoroacetic acid","","CO.C1CN=C2C=C(C(=C3C2=C1N=N3)O)NC4=CC=CC=C4.C(=O)(C(F)(F)F)O","OVKPSKBBBGCGJL-UHFFFAOYSA-N","388009",NA,"PDBC10913","682431","Present"
-"10-Benzoyl-4a-hydroxy-1,4-trimethyl-4aH,9H-4b,9-diaza-inde no[1,2-a]inden-2-on","","","","","","","","","","","","","","","","","","","","10-Benzoyl-4a-hydroxy-1,3,4-trimethyl-4aH,9H-4b,9-diaza-...","","CC1=C(C2(C(=C(C1=O)C)C(=C(C3=CC=CC=C3)O)C4=NC5=CC=CC=C5N42)O)C","ZDKKKNXXKZWJKK-QOCHGBHMSA-N","135580424",NA,"PDBC10914","736917","Present"
-"10-Benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione","","","","","","","","","","","","","","","","","","","","10-Benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione","","C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)N(C5=O)C6=CC=CC=C6","RXDUZIWQGWYXFL-UHFFFAOYSA-N","371270",NA,"PDBC10915","645329","Present"
-"10-Benzyl-3-(4-chlorophenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","10-Benzyl-3-(4-chlorophenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NN=C(C4=O)C5=CC=C(C=C5)Cl","JBEODJZFKWDKRZ-UHFFFAOYSA-N","386676",NA,"PDBC10916","679203","Present"
-"10-Benzyl-3-(4-methoxyphenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","10-Benzyl-3-(4-methoxyphenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","COC1=CC=C(C=C1)C2=NN=C3N(C4=CC=CC=C4N3C2=O)CC5=CC=CC=C5","FFTAEJYFPTXWNS-UHFFFAOYSA-N","386675",NA,"PDBC10917","679202","Present"
-"10-Benzyl-3-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","10-Benzyl-3-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NN=C(C4=O)C5=CC=CC=C5","UPGOQMMSMGYTMO-UHFFFAOYSA-N","386674",NA,"PDBC10918","679201","Present"
-"10-Benzyl-5-methyl-2-phenyl-3a,4,5,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3-dione","","","","","","","","","","","","","","","","","","","","10-Benzyl-5-methyl-2-phenyl-3a,4,5,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3-dione","","CC1CC2C(C3=C1C4=CC=CC=C4N3CC5=CC=CC=C5)C(=O)N(C2=O)C6=CC=CC=C6","AONNCUFLRUFGMU-UHFFFAOYSA-N","361386",NA,"PDBC10919","624410","Present"
-"10-Benzylideneanthracen-9(10h)-one","","","","","","","","","","","","","","","","","","","","Benzylidenanthron","","C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42","ZBDXDMJVRUZKDX-UHFFFAOYSA-N","225328",NA,"PDBC10920","14548","Present"
-"10-Bromo-2-ethyl-5,10a-dimethoxy-5,10-dihydroimidazo[1,5-b]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","10-Bromo-2-ethyl-5,10a-dimethoxy-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione","","CCN1C(=O)C2(C(C3=CC=CC=C3C(N2C1=O)OC)Br)OC","IKPLENIVMBEZNR-UHFFFAOYSA-N","372519",NA,"PDBC10921","647653","Present"
-"10-Chloro-12-methylsulfanyl-2-thia-4,6,7,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-8-ol","","","","","","","","","","","","","","","","","","","","10-Chloro-12-methylsulfanyl-2-thia-4,6,7,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-8-ol","","CSC1=NC2=C(C(N3C(=NC=N3)S2)O)C(=N1)Cl","DHTXBVIIGVGYHF-UHFFFAOYSA-N","399940",NA,"PDBC10922","711092","Present"
-"10-Chloro-7-(cyclopropylmethyl)-1-(4-nitrophenyl)-3,11b-diphenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6-one","","","","","","","","","","","","","","","","","","","","10-Chloro-7-(cyclopropylmethyl)-1-(4-nitrophenyl)-3,11b-diphenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6-one","","C1CC1CN2C(=O)CN3C(=NN(C3(C4=C2C=CC(=C4)Cl)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7","UTQYGDCILBVUDZ-UHFFFAOYSA-N","377490",NA,"PDBC10923","658958","Present"
-"10-Desacetylbaccatin III","","","","","","","","","","","","","","","","","","","","tetrol fr. taxus brevifolia","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","YWLXLRUDGLRYDR-UHFFFAOYSA-N","125001",NA,"PDBC10924","251677","Present"
-"10-EdAM","","","","","","","","","","","","","","","","","","","","10-EdAM","","CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","FSIRXIHZBIXHKT-UHFFFAOYSA-N","54586",NA,"PDBC10925","626715","Present"
-"10-Epi-anamarine","","","","","","","","","","","","","","","","","","","","10-epi-anamarine","","CC(C(C(C(C=CC1CC=CC(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","IIGKKKGWVQSBLY-PKWWXWAJSA-N","45028006",NA,"PDBC10926","740559","Present"
-"10-Ethyl-1,4-dimethoxy-9(10H)-acridinone","","","","","","","","","","","","","","","","","","","","10-Ethyl-1,4-dimethyoxy-9(10H)-acridinone","","CCN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)OC)OC","ILZOWHJKKJCZKS-UHFFFAOYSA-N","362330",NA,"PDBC10927","625989","Present"
-"10-Ethyl-2,25-dioxa-10-azahexacyclo[12.11.0.03,12.04,9.015,24.017,22]pentacosa-1(14),3(12),4,6,8,15(24),17,19,21-nonaene-11,13,16,23-tetrone","","","","","","","","","","","","","","","","","","","","5-ethyl-5H-naphtho[2'',3'':4',5']furo[3',2':5,6]pyrano[3...","","CCN1C2=CC=CC=C2C3=C(C1=O)C(=O)C4=C(O3)OC5=C4C(=O)C6=CC=CC=C6C5=O","KTQDEYDTAWBYDI-UHFFFAOYSA-N","155810297",NA,"PDBC10928","797533","Present"
-"10-Ethyl-2,5-diphenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","10-Ethyl-2,5-diphenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CCN1C2=CC=CC=C2C3=C1C4C(CC3C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC=C6","GIGCLYBFUBFOQU-UHFFFAOYSA-N","373647",NA,"PDBC10929","650367","Present"
-"10-Ethyl-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione","","","","","","","","","","","","","","","","","","","","10-Ethyl-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione","","CCN1C2=CC=CC=C2C3=C1C4=C(C=C3C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC=C6","MGJSOCZBAPNURK-UHFFFAOYSA-N","373648",NA,"PDBC10930","650368","Present"
-"10-Ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","10-Ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione","","CCN1C2=CC=CC=C2C(C3=C1NC(=O)N(C3=O)C)C(SC)S(=O)(=O)C4=CC=C(C=C4)C","NWEOEWFCJMZXNX-UHFFFAOYSA-N","370135",NA,"PDBC10931","642725","Present"
-"10-Ethyl-3-phenyl-1,5-dihydropyrazolo[4,3-c][1,5]benzodiazepine-4-thione","","","","","","","","","","","","","","","","","","","","10-Ethyl-3-phenyl-1,5-dihydropyrazolo[4,3-c][1,5]benzodiazepine-4-thione","","CCN1C2=CC=CC=C2NC(=S)C3=C(NN=C31)C4=CC=CC=C4","RPLNRJMURRFZDQ-UHFFFAOYSA-N","3005109",NA,"PDBC10932","672303","Present"
-"10-Ethyl-9-methyl-3,12-diphenyl-9,10-dihydropyrazolo[4,3-c][1,2,4]triazolo[4,3-a][1,5]benzodiazepine","","","","","","","","","","","","","","","","","","","","10-Ethyl-12-methyl-3,8-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,7(11),8,13,15-heptaene","","CCN1C2=C(C(=N1)C3=CC=CC=C3)C4=NN=C(N4C5=CC=CC=C5N2C)C6=CC=CC=C6","WCZMZQJLAATVOR-UHFFFAOYSA-N","383803",NA,"PDBC10933","672306","Present"
-"10-Ethynyl-10-hydroxy-9(10H)-anthracenone","","","","","","","","","","","","","","","","","","","","10-Ethynyl-10-hydroxy-9(10H)-anthracenone","","C#CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)O","XCBBZYDQCIGHDN-UHFFFAOYSA-N","361831",NA,"PDBC10934","625147","Present"
-"10-Fluoro-3-hydroxyisoindolo[2,1a]quinoxalin-6-(5H)-one","","","","","","","","","","","","","","","","","","","","10-Fluoro-3-hydroxyisoindolo[2,1a]quinoxalin-6-(5H)-one","","C1=CC2=C3C(=O)NC4=C(N3C=C2C(=C1)F)C=CC(=C4)O","LMVSMNFLNQFRPF-UHFFFAOYSA-N","60147953",NA,"PDBC10935","753220","Present"
-"10-Fluorobenzo(a)pyrene","","","","","","","","","","","","","","","","","","","","LS-40023","","C1=CC2=C3C(=C1)C=CC4=C5C(=CC(=C43)C=C2)C=CC=C5F","HAWXDOMASFLWHU-UHFFFAOYSA-N","52859",NA,"PDBC10936","623138","Present"
-"10-Hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC167406///NSC4060","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O","WCGUUGGRBIKTOS-UHFFFAOYSA-N","220774",NA,"PDBC10937","167406///4060","Present"
-"10-Hydroxy-1,8-bis(2-hydroxyethylamino)-10-prop-2-enylanthracen-9-one","","","","","","","","","","","","","","","","","","","","10-Hydroxy-1,8-bis(2-hydroxyethylamino)-10-prop-2-enylanthracen-9-one","","C=CCC1(C2=C(C(=CC=C2)NCCO)C(=O)C3=C1C=CC=C3NCCO)O","OWGJWXUPZXXRJL-UHFFFAOYSA-N","24206067",NA,"PDBC10938","740000","Present"
-"10-Hydroxy-10-prop-2-enyl-1-(prop-2-enylamino)anthracen-9-one","","","","","","","","","","","","","","","","","","","","10-Hydroxy-10-prop-2-enyl-1-(prop-2-enylamino)anthracen-9-one","","C=CCC1(C2=C(C(=CC=C2)NCC=C)C(=O)C3=CC=CC=C31)O","VVKRBHYIVQQBAF-UHFFFAOYSA-N","24205242",NA,"PDBC10939","734722","Present"
-"10-Hydroxy-2,3-dihydroimidazo[1,2-b][1,2,4]benzothiadiazine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-10H-imidazo[1,2-b][1,2,4]benzothiadiazin-10-ol 5,5-dioxide","","C1CN2C(=N1)N(C3=CC=CC=C3S2(=O)=O)O","BHULGWJJXCJGQB-UHFFFAOYSA-N","374053",NA,"PDBC10940","651249","Present"
-"10-Hydroxy-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione","","","","","","","","","","","","","","","","","","","","10,16-Bis[2-(dimethylamino)ethyl]-5-hydroxy-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione","","CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)O)CCN(C)C","NVRGTXQKVXKXAN-UHFFFAOYSA-N","399631",NA,"PDBC10941","710548","Present"
-"10-Hydroxy-3-(trifluoromethyl)-5H-phenophosphazinine 10-oxide","","","","","","","","","","","","","","","","","","","","3-(Trifluoromethyl)-5,10-dihydrophenophosphazinin-10-ol 10-oxide","","C1=CC=C2C(=C1)NC3=C(P2(=O)O)C=CC(=C3)C(F)(F)F","CKKDLJXUADIMBW-UHFFFAOYSA-N","360851",NA,"PDBC10942","623451","Present"
-"10-Hydroxy-4-bromo-5beta-estra-1,4-diene-3,17-dione","","","","","","","","","","","","","","","","","","","","(8S,9S,10S,13S,14S)-4-Bromo-10-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione","","CC12CCC3C(C1CCC2=O)CCC4=C(C(=O)C=CC34O)Br","TXYSTZDCUPYITK-YMKFXDTLSA-N","402600",NA,"PDBC10943","716730","Present"
-"10-Hydroxy-5-(3,4,5-trimethoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-f]indolizin-7-one","","","","","","","","","","","","","","","","","","","","10-Hydroxy-5-(3,4,5-trimethoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one","","COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3C(C5N2C(=O)CC5)O)OCO4","JMFYERZFZOBXHV-UHFFFAOYSA-N","384201",NA,"PDBC10944","673606","Present"
-"10-Hydroxy-5-(4-methoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one","","","","","","","","","","","","","","","","","","","","10-Hydroxy-5-(4-methoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one","","COC1=CC=C(C=C1)C2C3=CC4=C(C=C3C(C5N2C(=O)CC5)O)OCO4","MREHBXFNHVGEBG-UHFFFAOYSA-N","384202",NA,"PDBC10945","673607","Present"
-"10-Hydroxy-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one","","","","","","","","","","","","","","","","","","","","10-Hydroxy-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one","","CC1=C2C=CNC(=O)C2=CC3=C1NC4=C(C3=O)C=NC=C4","HPOHFRLXNCOIQM-UHFFFAOYSA-N","366886",NA,"PDBC10946","635929","Present"
-"10-Hydroxy-7-trimethylsilylethylcamptothecin","","","","","","","","","","","","","","","","","","","","NSC709237","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)O)N=C4C3=C2)CC[Si](C)(C)C)O","FBOHVJOXVDWFTC-VWLOTQADSA-N","398933",NA,"PDBC10947","709237","Present"
-"10-Imino-11,15-diphenyl-14-sulfanylidene-2,11,13,15-tetrazatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),8-diene-12,16-dione","","","","","","","","","","","","","","","","","","","","10-Imino-11,15-diphenyl-14-sulfanylidene-2,11,13,15-tetrazatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),8-diene-12,16-dione","","C1CCC2=C3C4=C(N2CC1)C(=O)N(C(=S)N4C(=O)N(C3=N)C5=CC=CC=C5)C6=CC=CC=C6","NXUOKQRZINBXMD-UHFFFAOYSA-N","394197",NA,"PDBC10948","697466","Present"
-"10-Methoxy-12-methyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione","","","","","","","","","","","","","","","","","","","","10-Methoxy-12-methyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione","","CN1C2=C(C=CC(=C2)OC)C3=C1C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O","GHCHXXPDGGJGHS-UHFFFAOYSA-N","374507",NA,"PDBC10949","652258","Present"
-"10-Methoxy-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;hydroiodide","","","","","","","","","","","","","","","","","","","","10-Methoxy-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;hydroiodide","","COC1=CC2=NCCC3=C2C(=C1O)N=N3.I","XTRDTZUIDJWURP-UHFFFAOYSA-N","384099",NA,"PDBC10950","673322","Present"
-"10-Methoxy-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione","","","","","","","","","","","","","","","","","","","","2H,6H-Pyrazolo[3,4,5-mn]pyrimido[5,6,1-de]acridine- 5,7-...","","CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)OC)CCN(C)C","DIDMCOGVJBEHEZ-UHFFFAOYSA-N","399630",NA,"PDBC10951","710547","Present"
-"10-Methoxy-5-methyl-7-phenyl-2,3,4,5-tetrahydro-7H-1,6,5-benzodioxazonine","","","","","","","","","","","","","","","","","","","","10-Methoxy-5-methyl-7-phenyl-2,3,4,5-tetrahydro-7H-1,6,5-benzodioxazonine","","CN1CCCOC2=C(C=CC(=C2)OC)C(O1)C3=CC=CC=C3","DKALCOIEDJUTLK-UHFFFAOYSA-N","363702",NA,"PDBC10952","628824","Present"
-"10-Methoxy-6-methylbenzimidazolo[1,2-a]quinoline","","","","","","","","","","","","","","","","","","","","10-Methoxy-6-methylbenzimidazo[1,2-a]quinoline","","CC1=CC2=CC=CC=C2N3C1=NC4=C3C=C(C=C4)OC","UKVTYFCFSASELC-UHFFFAOYSA-N","378354",NA,"PDBC10953","660436","Present"
-"10-Methoxy-8,8-dimethyl-4-(2-phenylethyl)-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one","","","","","","","","","","","","","","","","","","","","2h,6h-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-10-m...","","CC1(CCC2=CC3=C(C(=C2O1)OC)OC(=O)C=C3CCC4=CC=CC=C4)C","SLCCJFVICRGOKF-UHFFFAOYSA-N","374759",NA,"PDBC10954","653003","Present"
-"10-Methoxycamptothecin","","","","","","","","","","","","","","","","","","","","Methoxycamptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC)O","KLFJSYOEEYWQMR-NRFANRHFSA-N","97283",NA,"PDBC10955","111533","Present"
-"10-Methoxyphenanthrene-3,9-diol","","","","","","","","","","","","","","","","","","","","10-Methoxyphenanthrene-3,9-diol","","COC1=C(C2=CC=CC=C2C3=C1C=CC(=C3)O)O","LKIWGFRRTSOWGE-UHFFFAOYSA-N","375113",NA,"PDBC10956","654236","Present"
-"10-Methyl-1,3,4,6,7,8,9,10-octahydroazepino[2,1-b]quinazolin-12(2H)-one","","","","","","","","","","","","","","","","","","","","Azepino[2,1-b]quinazolin-12(1OH)-one, 1,2,3,4,6,7,8,9-oc...","","CC1CCCCC2=NC3=C(CCCC3)C(=O)N12","LSZGAZQPJMISMO-UHFFFAOYSA-N","367887",NA,"PDBC10957","638065","Present"
-"10-Methyl-2-(3,4,5-trimethoxybenzyl)-10H-phenothiazine-1-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Cyano-2-(3',4',5'-trimethoxybenzyl)-10-N-methylphenoth...","","CN1C2=CC=CC=C2SC3=C1C(=C(C=C3)CC4=CC(=C(C(=C4)OC)OC)OC)C#N","KUWACKAFOGCBMW-UHFFFAOYSA-N","374832",NA,"PDBC10958","653255","Present"
-"10-Methyl-2-oxo-2H-pyrano[3,2-a]indolizine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","10-Methyl-2-oxo-2H-pyrano[3,2-a]indolizine-3-carbonitrile","","CC1=C2C(=C3N1C=CC=C3)C=C(C(=O)O2)C#N","ZXTNTCKCIPGSTJ-UHFFFAOYSA-N","389677",NA,"PDBC10959","686129","Present"
-"10-Methyl-2-phenyl-4-(1-pyrrolidinyl)pyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione","","","","","","","","","","","","","","","","","","","","10-Methyl-2-phenyl-4-(1-pyrrolidinyl)pyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione","","CN1C2=CC=CC=C2C3=CC(=C4C(=C31)C(=O)N(C4=O)C5=CC=CC=C5)N6CCCC6","CEGNVJCRFJMKDK-UHFFFAOYSA-N","380390",NA,"PDBC10960","665907","Present"
-"10-Methyl-3,4,5,10-tetrahydro-2,3,10-triazaindeno[2,1-a]indene-4-one","","","","","","","","","","","","","","","","","","","","10-Methyl-3,4,5,10-tetrahydro-2,3,10-triazaindeno[2,1-a]indene-4-one","","CN1C2=C(C3=C1C4=CC=CC=C4C3)C(=O)NN=C2","XTGZMGDBPPEFSB-UHFFFAOYSA-N","401974",NA,"PDBC10961","715661","Present"
-"10-Methyl-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","10-Methyl-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide","","CN1C2=CC=CC=C2S(=O)(=O)N3C1=NN=C3COC4=CC=CC=C4","MCCJDTZJKMPXCS-UHFFFAOYSA-N","341527",NA,"PDBC10962","373877","Present"
-"10-Methyl-3-phenethyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","10-Methyl-3-phenethyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide","","CN1C2=CC=CC=C2S(=O)(=O)N3C1=NN=C3CCC4=CC=CC=C4","SXWQHZVVRCQTMA-UHFFFAOYSA-N","341530",NA,"PDBC10963","373880","Present"
-"10-Methyl-5,6-dihydro-4H,8H-[1,3]oxazolo[4,5-c]pyrido[3,2,1-ij]quinolin-8-one","","","","","","","","","","","","","","","","","","","","10-Methyl-5,6-dihydro-4H,8H-[1,3]oxazolo[4,5-c]pyrido[3,2,1-ij]quinolin-8-one","","CC1=NC2=C(O1)C3=CC=CC4=C3N(C2=O)CCC4","ORWXUVUJOPUZFP-UHFFFAOYSA-N","389388",NA,"PDBC10964","685454","Present"
-"10-Methyl-5H-Indolo[2,1,5]benzoxadiazepine","","","","","","","","","","","","","","","","","","","","10-Methyl-5H-Indolo[2,3-c][2,1,5]benzoxadiazepine","","CC1=CC2=C(C=C1)NC3=C2N=C4C=CC=CC4=NO3","ISFGXHGHRZRQKC-UHFFFAOYSA-N","135585453",NA,"PDBC10965","728949","Present"
-"10-Methyl-7H,9H,13H-naphtho[1,8-de][1,2,4]triazolo[1,2-a][1,2]diazepine-9,11(10H)-dione","","","","","","","","","","","","","","","","","","","","5-Methyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione","","CN1C(=O)N2CC3=CC=CC4=C3C(=CC=C4)CN2C1=O","GCSLXTPCACGULY-UHFFFAOYSA-N","391902",NA,"PDBC10966","691583","Present"
-"10-Methyl-7h-benzo[c]phenothiazine","","","","","","","","","","","","","","","","","","","","10-Methyl-7h-benzo[c]phenothiazine","","CC1=CC2=C(C=C1)NC3=C(S2)C4=CC=CC=C4C=C3","FOEVXYGXVGBVKD-UHFFFAOYSA-N","237061",NA,"PDBC10967","40273","Present"
-"10-Methyl-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-9-one","","","","","","","","","","","","","","","","","","","","10-Methyl-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-9-one","","CC1=NN2C3=C(C=CC4=CC=CC=C43)SC2=NC1=O","ZMJLBRFEJAJLAK-UHFFFAOYSA-N","364997",NA,"PDBC10968","631906","Present"
-"10-Methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridin-10-ium-9-carboxamide;methyl sulfate","","","","","","","","","","","","","","","","","","","","10-Methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridin-10-ium-9-carboxamide;methyl sulfate","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5.COS(=O)(=O)[O-]","ICDKLRDXOKDSOJ-UHFFFAOYSA-N","393806",NA,"PDBC10969","696571","Present"
-"10-Methyl-N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]acridin-10-ium-9-carboxamide;methyl sulfate","","","","","","","","","","","","","","","","","","","","10-Methyl-N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]acridin-10-ium-9-carboxamide;methyl sulfate","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=NN5C6=CC=CC=C6.COS(=O)(=O)[O-]","HTUJLDSKXKDBSJ-UHFFFAOYSA-N","393808",NA,"PDBC10970","696572","Present"
-"10-Methylene-9-((4-methylphenyl)sulfonyl)-7-oxa-9-azaspiro[4.5]decan-8-one","","","","","","","","","","","","","","","","","","","","10-Methylene-9-((4-methylphenyl)sulfonyl)-7-oxa-9-azaspiro[4.5]decan-8-one","","CC1=CC=C(C=C1)S(=O)(=O)N2C(=C)C3(CCCC3)COC2=O","PNNBQYOYUXZHAL-UHFFFAOYSA-N","379621",NA,"PDBC10971","664328","Present"
-"10-Methylimidazo[1,2-a:3,4-a']diquinolin-15-ium iodide","","","","","","","","","","","","","","","","","","","","6-Methyl-2-aza-13-azoniapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3(8),4,6,9,11,14,16,18,20-decaene;iodide","","CC1=CC2=C(C=C1)N3C(=C[N+]4=C3C=CC5=CC=CC=C54)C=C2.[I-]","RZOZVQMWYPDIGA-UHFFFAOYSA-M","24201701",NA,"PDBC10972","524442","Present"
-"10-Nitro-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione","","","","","","","","","","","","","","","","","","","","10,16-Bis[2-(dimethylamino)ethyl]-5-nitro-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione","","CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)[N+](=O)[O-])CCN(C)C","MZPDKSMUCXBFFA-UHFFFAOYSA-N","399632",NA,"PDBC10973","710549","Present"
-"10-Nitronoracronycin","","","","","","","","","","","","","","","","","","","","10-Nitronoracronycin","","CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4)[N+](=O)[O-])C)O)C","CLHDMYCBLUDRPM-UHFFFAOYSA-N","5387299",NA,"PDBC10974","622481","Present"
-"10-Nitropyrazino[2,3-c]isoquinolin-6-ol","","","","","","","","","","","","","","","","","","","","10-Nitropyrazino[2,3-c]isoquinolin-6(5H)-one","","C1=CC2=C(C(=C1)[N+](=O)[O-])C3=NC=CN=C3NC2=O","XHPYLHQTBGRZHN-UHFFFAOYSA-N","381274",NA,"PDBC10975","667710","Present"
-"10-Nitrosophenanthren-9-ol","","","","","","","","","","","","","","","","","","","","NSC48526","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N=O)O","HMJPSXRANHDJOF-UHFFFAOYSA-N","95223",NA,"PDBC10976","48526","Present"
-"10-Oxabenzo[def]chrysen-9-one","","","","","","","","","","","","","","","","","","","","C18281","","C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4OC(=O)C=C5)C=C2","NHGPSFSQAVBCRE-UHFFFAOYSA-N","361185",NA,"PDBC10977","624114","Present"
-"10-Oxododecahydrobenzo[a]azulen-4b(1H)-yl hydrogen carbonate","","","","","","","","","","","","","","","","","","","","10-Oxododecahydrobenzo[a]azulen-4b(1H)-yl hydrogen carbonate","","C1CCC2C(=O)C3CCCCC3C2(CC1)OC(=O)O","BOCCQGYRMHHMSH-UHFFFAOYSA-N","375489",NA,"PDBC10978","655271","Present"
-"10-Oxooctadecanoic acid","","","","","","","","","","","","","","","","","","","","10-ketostearic acid","","CCCCCCCCC(=O)CCCCCCCCC(=O)O","BGKROBBCCGUUCF-UHFFFAOYSA-N","361941",NA,"PDBC10979","625425","Present"
-"10-Phenyl-11,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaene","","","","","","","","","","","","","","","","","","","","10-Phenyl-11,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaene","","C1C2=CC=CC=C2C3=C1C(N4C(=NC=N4)N3)C5=CC=CC=C5","FJAUXSSALRFYNH-UHFFFAOYSA-N","373409",NA,"PDBC10980","649664","Present"
-"10-Phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine","","","","","","","","","","","","","","","","","","","","10-Phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine","","C1CC2=CC=CC=C2C3=NC4=C(N=C(N=C4NC(C31)C5=CC=CC=C5)N)N","AECMDTLIMQWHQN-UHFFFAOYSA-N","46838672",NA,"PDBC10981","749652","Present"
-"10-Phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","","","","","","","","","","","","","","","","","","","10-Phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","C1CC2=C(CC3=C(N2C4=CC=CC=C4)CCCC3=O)C(=O)C1","BHTNQNVXCJXJKH-UHFFFAOYSA-N","379940",NA,"PDBC10982","665132","Present"
-"10-Phenyl-5,10-dihydrophenophosphazine","","","","","","","","","","","","","","","","","","","","10-Phenyl-5,10-dihydrophenophosphazine","","C1=CC=C(C=C1)P2C3=CC=CC=C3NC4=CC=CC=C42","MZQSQFVAWRNADT-UHFFFAOYSA-N","380776",NA,"PDBC10983","666487","Present"
-"10-Phenyl-6,8-dioxaspiro[4.5]decan-9-one","","","","","","","","","","","","","","","","","","","","10-Phenyl-6,8-dioxaspiro[4.5]decan-9-one","","C1CCC2(C1)C(C(=O)OCO2)C3=CC=CC=C3","BLINMRDHMPCMPI-UHFFFAOYSA-N","380239",NA,"PDBC10984","665718","Present"
-"10-Phenyl-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-9-one","","","","","","","","","","","","","","","","","","","","15-Phenyl-11-thia-13,16,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,15-heptaen-14-one","","C1=CC=C(C=C1)C2=NN3C4=C(C=CC5=CC=CC=C54)SC3=NC2=O","CSHOYHFWEXKNBW-UHFFFAOYSA-N","364998",NA,"PDBC10985","631907","Present"
-"10-Phenyltetrazolo[1,5-b][1,2,4]benzothiadiazine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","10-Phenyltetrazolo[1,5-b][1,2,4]benzothiadiazine 5,5-dioxide","","C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)(=O)N4C2=NN=N4","YDYAHVPBPHBPHJ-UHFFFAOYSA-N","341518",NA,"PDBC10986","373867","Present"
-"10-Piperazino-1,2,3,4-tetrahydro-9-azaphenanthrene","","","","","","","","","","","","","","","","","","","","10-Piperazino-1,2,3,4-tetrahydro-9-azaphenanthrene","","C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCNCC4","DGXBGJYAAYUXTF-UHFFFAOYSA-N","399481",NA,"PDBC10987","710332","Present"
-"10-Thiaxanthenone,5-dioxide, oxime","","","","","","","","","","","","","","","","","","","","10-THIAXANTHENONE, 5,5-DIOXIDE, OXIME","","C1=CC=C2C(=C1)C(=NO)C3=CC=CC=C3S2(=O)=O","MFVFIUCBCLRVGT-UHFFFAOYSA-N","220231",NA,"PDBC10988","2686","Present"
-"10-Undecenyl 2,3-dideoxyhex-2-enopyranoside","","","","","","","","","","","","","","","","","","","","10-Undecenyl 2,3-dideoxyhex-2-enopyranoside","","C=CCCCCCCCCCOC1C=CC(C(O1)CO)O","OTXHPQLYQFMHGX-UHFFFAOYSA-N","388312",NA,"PDBC10989","683044","Present"
-"10-[(1-Methylpiperidin-4-yl)methyl]phenothiazine;hydrochloride","","","","","","","","","","","","","","","","","","","","Phenothiazine, 10-[(1-methyl-4-piperidyl)methyl]-, hydro...","","CN1CCC(CC1)CN2C3=CC=CC=C3SC4=CC=CC=C42.Cl","HCWKGDFPSZHXCN-UHFFFAOYSA-N","14129641",NA,"PDBC10990","64080","Present"
-"10-[(19R)-2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone","","","","","","","","","","","","","","","","","","","","10-[(19R)-2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptac","","C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C9C(C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O","FESAEKUFXJFTFG-QOQCXZSNSA-N","16133881",NA,"PDBC10991","676821","Present"
-"10-[(3-Fluoro-4-methoxyphenyl)methyl]phenothiazine","","","","","","","","","","","","","","","","","","","","NSC784983","","COC1=C(C=C(C=C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)F","VUORHFSCOSCKAG-UHFFFAOYSA-N","134150356",NA,"PDBC10992","784983","Present"
-"10-[(4-Fluorophenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol","","","","","","","","","","","","","","","","","","","","10-[(4-Fluorophenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol","","CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=C(C=C4)F)O)C","QAOZJMUTWQRZGJ-UHFFFAOYSA-N","402601",NA,"PDBC10993","716757","Present"
-"10-[(4-Methoxyphenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol","","","","","","","","","","","","","","","","","","","","10-[(4-Methoxyphenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol","","CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=C(C=C4)OC)O)C","DQAHHMGXMKTXPJ-UHFFFAOYSA-N","402602",NA,"PDBC10994","716758","Present"
-"10-[(Z)-C-Aminocarbonohydrazonoyl]sulfanyldecyl N'-aminocarbamimidothioate;hydroiodide","","","","","","","","","","","","","","","","","","","","10-[(Z)-C-Aminocarbonohydrazonoyl]sulfanyldecyl N'-aminocarbamimidothioate;hydroiodide","","C(CCCCCSC(=NN)N)CCCCSC(=NN)N.I","AMTOBOKOOSDOMN-UHFFFAOYSA-N","54603357",NA,"PDBC10995","33418","Present"
-"10-[1,1'-Biphenyl]-4-yl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","","","","","","","","","","","","","","","","","","","10-[1,1'-Biphenyl]-4-yl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","C1CC2=C(CC3=C(N2C4=CC=C(C=C4)C5=CC=CC=C5)CCCC3=O)C(=O)C1","YMJVDQPVOFGMSI-UHFFFAOYSA-N","379951",NA,"PDBC10996","665143","Present"
-"10-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-8-hydroxy-6,7-di(propan-2-yloxy)-1,3,4-triazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13),11-pentaen-2-one","","","","","","","","","","","","","","","","","","","","10-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-8-hydroxy-6,7-di(propan-2-yloxy)-1,3,4-triazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13),11-pentaen-2-one","","CC1=CC=C(N1C2=CC=CC=C2C3C=CN4C5=C3C(=C(C(=C5N=NC4=O)OC(C)C)OC(C)C)O)C","ANXFMAOMEFFKSF-UHFFFAOYSA-N","135450448",NA,"PDBC10997","685016","Present"
-"10-[2-(2-Hydroxyethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","10-[2-(2-Hydroxyethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC4=C3N2C=N4)NCCNCCO.Cl","XEEBLIGGMWBKJJ-UHFFFAOYSA-N","371513",NA,"PDBC10998","645832","Present"
-"10-[2-(Diethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride","","CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O.Cl","RRGDKYFXYNROPN-UHFFFAOYSA-N","371511",NA,"PDBC10999","645831","Present"
-"10-[2-(Diethylamino)ethylamino]-5-ethoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-5-ethoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OCC","DAAUBEBGNZGJDQ-UHFFFAOYSA-N","439028",NA,"PDBC11000","699154","Present"
-"10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl","HXAQGSRFKAXSNB-UHFFFAOYSA-N","438544",NA,"PDBC11001","645809","Present"
-"10-[2-(Diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","CCN(CC)CCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)O)C.Cl","YABNXUOSTHGECN-UHFFFAOYSA-N","367848",NA,"PDBC11002","637992","Present"
-"10-[2-(Diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)OC.Cl","OCSLOHWPQDAQEN-UHFFFAOYSA-N","438549",NA,"PDBC11003","645812","Present"
-"10-[2-(Diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","6H-Imidazo[4,5,1-de]acridin-6-one, 5-[2-(diethylamino) e...","","CCN(CC)CCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)OC)C.Cl","GYDUKVCOVDBXKS-UHFFFAOYSA-N","367849",NA,"PDBC11004","637993","Present"
-"10-[2-(Diethylamino)ethylamino]-8-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,5,7,9,11,13(16),14-heptaen-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-8-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,5,7,9,11,13(16),14-heptaen-4-one;hydrochloride","","CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=CC(=O)C=CC4=C2O.Cl","YZIFCDXUBHQBCB-UHFFFAOYSA-N","438547",NA,"PDBC11005","645811","Present"
-"10-[2-(Diethylamino)ethylamino]-8-hydroxy-3-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-8-hydroxy-3-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one","","CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C=CC(=O)C4=C2O)OC","CCUYKRLXKTWTGP-UHFFFAOYSA-N","378421",NA,"PDBC11006","660840","Present"
-"10-[2-(Diethylamino)ethylamino]-8-hydroxy-4,5-dimethoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-8-hydroxy-4,5-dimethoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one","","CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=CC(=C(C(=O)C4=C2O)OC)OC","GRQHDQZNSRJNRZ-UHFFFAOYSA-N","378422",NA,"PDBC11007","660841","Present"
-"10-[2-(Dimethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","","","","","","","","","","","","","","","","","","","10-[2-(Dimethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","CN(C)CCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O","ZRCXWSWJMWWTFD-UHFFFAOYSA-N","438569",NA,"PDBC11008","645833","Present"
-"10-[2-(Dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","","","","","","","","","","","","","","","","","","","10-[2-(Dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","CC1=NC2=C3N1C4=CC=CC=C4C(=O)C3=C(C=C2)NCCN(C)C","WTFFYWWTDRXKDI-UHFFFAOYSA-N","438570",NA,"PDBC11009","645834","Present"
-"10-[2-(Dimethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","10-[2-(Dimethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","CN(C)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl","NXTYWYBBZCKFPD-UHFFFAOYSA-N","371509",NA,"PDBC11010","645808","Present"
-"10-[2-(Dimethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","6H-Imidazo[4,5,1-de]acridin-6-one, 5-[[2-(dimethylamino)...","","CC1=NC2=C3N1C4=C(C=C(C=C4)O)C(=O)C3=C(C=C2)NCCN(C)C.Cl","AOGYZQBOUKTWRQ-UHFFFAOYSA-N","367847",NA,"PDBC11011","637991","Present"
-"10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","","","","","","","","","","","","","","","","","","","10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","CCN(CC)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O","JQAXADUIRCEBEN-UHFFFAOYSA-N","438553",NA,"PDBC11012","645814","Present"
-"10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","6H-Imidazo[4,5,1-de]acridin-6-one, 5-[[3-(diethylamino) ...","","CCN(CC)CCCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl","JOPXSOWZGARKAE-UHFFFAOYSA-N","367851",NA,"PDBC11013","637994","Present"
-"10-[3-(Dimethylamino)propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","","","","","","","","","","","","","","","","","","","10-[3-(Dimethylamino)propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","CN(C)CCCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O","KWLWSGBEPRFXEU-UHFFFAOYSA-N","438572",NA,"PDBC11014","645836","Present"
-"10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","","","","","","","","","","","","","","","","","","","10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O","GGLHADFEHBYVER-UHFFFAOYSA-N","438568",NA,"PDBC11015","645830","Present"
-"10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","CN(C)CCCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl","OQPGOJKSONVETH-UHFFFAOYSA-N","438545",NA,"PDBC11016","645810","Present"
-"10-[3-(Dimethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","","","","","","","","","","","","","","","","","","","10-[3-(Dimethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride","","CN(C)CCCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)OC.Cl","QQDRORVYLONSTL-UHFFFAOYSA-N","438551",NA,"PDBC11017","645813","Present"
-"10-[3-[4-[3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;methanesulfonic acid","","","","","","","","","","","","","","","","","","","","10-[3-[4-[3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;methanesulfonic acid","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN4CCN(CC4)CCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O.CS(=O)(=O)O","MJCHBLFVSPXRLS-UHFFFAOYSA-N","439010",NA,"PDBC11018","695945","Present"
-"10-[8-(5-Imino-2,4-dimethylbenzo[b][1,8]naphthyridin-10-yl)octyl]-2,4-dimethylbenzo[b][1,8]naphthyridin-5-imine;hydrochloride","","","","","","","","","","","","","","","","","","","","Benzo[b][1,8]naphthyridin-5-imine, 10,10'-octamethylene-...","","CC1=CC(=NC2=C1C(=N)C3=CC=CC=C3N2CCCCCCCCN4C5=CC=CC=C5C(=N)C6=C4N=C(C=C6C)C)C.Cl","HBKUXCGREBXUKR-UHFFFAOYSA-N","387546",NA,"PDBC11019","681455","Present"
-"10-[[4-Methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine","","","","","","","","","","","","","","","","","","","","NSC788066","","COC1=CC(=C(C=C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)C(F)(F)F","MDPSHZSMKLIGIF-UHFFFAOYSA-N","134140942",NA,"PDBC11020","788066","Present"
-"10-beta-Carbethoxypropionylchrysarobin","","","","","","","","","","","","","","","","","","","","10-Bcpcb","","CCOC(=O)CCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C","IRAGWLLQCZCTSU-UHFFFAOYSA-N","124459",NA,"PDBC11021","641170","Present"
-"10-bromopaullone","","","","","","","","","","","","","","","","","","","","10-bromopaullone","","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=CC(=C4)Br","IGYURNWXVFOIOW-UHFFFAOYSA-N","383787",NA,"PDBC11022","672234","Present"
-"10-camphorsulfonanilide (6ci)","","","","","","","","","","","","","","","","","","","","10-camphorsulfonanilide (6ci)","","CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=CC=CC=C3)C","ADKFVONVCIXICR-UHFFFAOYSA-N","386481",NA,"PDBC11023","678509","Present"
-"10074-G5","","","","","","","","","","","","","","","","","","","","10074-G5","","C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC=C(C4=NON=C34)[N+](=O)[O-]","KMJPYSQOCBYMCF-UHFFFAOYSA-N","2836600",NA,"PDBC11024","764609","Present"
-"10H-(1,2,3)Triazolo(5,1-c)(1,4)benzodiazepine","","","","","","","","","","","","","","","","","","","","10H-[1,2,3]Triazolo[1,5-a][1,4]benzodiazepine","","C1C2=CC=CC=C2N=CC3=CN=NN31","LPSHMFMFMNQEEZ-UHFFFAOYSA-N","374931",NA,"PDBC11025","653544","Present"
-"10H-Dipyrido[3,4-b","","","","","","","","","","","","","","","","","","","","10H-dipyrido[3,4-b","","C1=CN=CC2=C1NC3=C(S2)C=CN=C3","QUPLXMMXAMOWOL-UHFFFAOYSA-N","24205901",NA,"PDBC11026","737217","Present"
-"10H-Phenothiazine, 2-bromo-10-[2-(1-methyl-2-piperidinyl)ethyl]-","","","","","","","","","","","","","","","","","","","","10H-Phenothiazine, 2-bromo-10-[2-(1-methyl-2-piperidinyl...","","CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Br","HGXSRQXHKMFKJM-UHFFFAOYSA-N","99135",NA,"PDBC11027","186058","Present"
-"10H-Phenothiazine-1-carbonitrile","","","","","","","","","","","","","","","","","","","","10H-Phenothiazine-1-carbonitrile","","C1=CC=C2C(=C1)NC3=C(C=CC=C3S2)C#N","IROHXUWSUOCLQI-UHFFFAOYSA-N","374035",NA,"PDBC11028","651214","Present"
-"10H-Phenothiazine-1-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride","","","","","","","","","","","","","","","","","","","","10H-Phenothiazine-1-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3N2.Cl","FVMCEKURGLZQBR-UHFFFAOYSA-N","183397",NA,"PDBC11029","617957","Present"
-"10H-Phenothiazine-10-propanamine, 2-chloro-, monohydrochloride","","","","","","","","","","","","","","","","","","","","10H-Phenothiazine-10-propanamine, 2-chloro-, monohydroch...","","C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCN.Cl","CLFAUWZDUIVBAN-UHFFFAOYSA-N","197797",NA,"PDBC11030","168977","Present"
-"10H-Phenothiazine-4-carbonitrile","","","","","","","","","","","","","","","","","","","","10H-Phenothiazine-4-carbonitrile","","C1=CC=C2C(=C1)NC3=CC=CC(=C3S2)C#N","DRIWXTSESHVHDY-UHFFFAOYSA-N","380632",NA,"PDBC11031","666307","Present"
-"10H-Pyrido[2,3-b]carbazole, 7-methoxy-5,11-dimethyl-","","","","","","","","","","","","","","","","","","","","10H-Pyrido[2,3-b]carbazole, 7-methoxy-5,11-dimethyl-","","CC1=C2C=CC=NC2=C(C3=C1C4=C(N3)C=CC(=C4)OC)C","NACPWLNTPJIVTL-UHFFFAOYSA-N","379121",NA,"PDBC11032","663335","Present"
-"10H-Quindoline-3,8-diamine","","","","","","","","","","","","","","","","","","","","10H-Quindoline-3,8-diamine","","C1=CC(=CC2=NC3=C(C=C21)NC4=C3C=CC(=C4)N)N","VXJCEYHNPBHQOS-UHFFFAOYSA-N","388029",NA,"PDBC11033","682454","Present"
-"10H-[1]Benzothiolo[3,2-b]indole","","","","","","","","","","","","","","","","","","","","Q27183787","","C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4S3","FPQLXWGSGNEDCF-UHFFFAOYSA-N","354261",NA,"PDBC11034","605333","Present"
-"10Z-Hymenialdisine","","","","","","","","","","","","","","","","","","","","hymenialdisine///NSC626158","","C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=C(N2)Br","ATBAETXFFCOZOY-DAXSKMNVSA-N","135413546",NA,"PDBC11035","607173///626158","Present"
-"10a-(Trifluoromethyl)spiro[5H-[1,3]oxazolo[2,3-b][1,3]benzoxazine-3,1'-cyclohexane]-2-one","","","","","","","","","","","","","","","","","","","","10a-(Trifluoromethyl)spiro[5H-[1,3]oxazolo[2,3-b][1,3]benzoxazine-3,1'-cyclohexane]-2-one","","C1CCC2(CC1)C(=O)OC3(N2CC4=CC=CC=C4O3)C(F)(F)F","PJMUMUQMXYPCPU-UHFFFAOYSA-N","383947",NA,"PDBC11036","672911","Present"
-"10a-Hydroxy-1,3,4,4a,5,6,7,8,9,10a-decahydrobenzo[a]azulen-10(2H)-one","","","","","","","","","","","","","","","","","","","","10a-Hydroxy-1,3,4,4a,5,6,7,8,9,10a-decahydrobenzo[a]azulen-10(2H)-one","","C1CCC2=C(CC1)C(=O)C3(C2CCCC3)O","UMFAPXWKPZXOEO-UHFFFAOYSA-N","375490",NA,"PDBC11037","655272","Present"
-"10a-Methyl-5-phenyl-4,10,10a,10b-tetrahydro-1H-furo[3,4-a]carbazole-1,3(3aH)-dione","","","","","","","","","","","","","","","","","","","","10a-Methyl-5-phenyl-4,10,10a,10b-tetrahydro-1H-furo[3,4-a]carbazole-1,3(3aH)-dione","","CC12C3C(CC(=C1C4=CC=CC=C4N2)C5=CC=CC=C5)C(=O)OC3=O","VLCGADBNBBMNEO-UHFFFAOYSA-N","367130",NA,"PDBC11038","636517","Present"
-"10a-Phenyl-3a-(1-pyrrolidinyl)-1,2,3,3a,10a,10b-hexahydro-10H-cyclopenta[4,5]isoxazolo[2,3-a]indol-10-one","","","","","","","","","","","","","","","","","","","","9-Phenyl-14-pyrrolidin-1-yl-15-oxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-trien-8-one","","C1CCN(C1)C23CCCC2C4(C(=O)C5=CC=CC=C5N4O3)C6=CC=CC=C6","QXRMPRQQGNQQQF-UHFFFAOYSA-N","374525",NA,"PDBC11039","652276","Present"
-"10b-(4-Chlorophenyl)-8,9-dimethoxy-3-phenyl-10bH-[1,2,4]oxadiazolo[4,5-c][1,3]benzothiazine","","","","","","","","","","","","","","","","","","","","10b-(4-Chlorophenyl)-8,9-dimethoxy-3-phenyl-10bH-[1,2,4]oxadiazolo[4,5-c][1,3]benzothiazine","","COC1=C(C=C2C(=C1)C3(N(CS2)C(=NO3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)OC","SDDVFFLENOCXBC-UHFFFAOYSA-N","373384",NA,"PDBC11040","649611","Present"
-"10b-(Acetyloxy)-1-chloro-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","10b-(Acetyloxy)-1-chloro-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylic acid","","CC(=O)OC12C(C(C1(C(=O)O)Cl)C(=O)O)C3=CC=CC=C3C4=CC=CC=C24","CBODUWBNIBXAQZ-UHFFFAOYSA-N","372340",NA,"PDBC11041","647398","Present"
-"10beta-Hydroxy-17beta-acetoxyestra-1,4-dien-3-one","","","","","","","","","","","","","","","","","","","","10.beta.-Hydroxy-17.beta.-acetoxyestra-1,4-dien-3-one","","CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34O)C","CYFXPLNBAALPBN-RPZLJYRGSA-N","395706",NA,"PDBC11042","700501","Present"
-"11,11'-(3,5-Pyridinediyl)bis(1,6-diazanaphthacene-5,12-dione)","","","","","","","","","","","","","","","","","","","","11-[5-(5,12-Dioxopyrido[2,3-b]acridin-11-yl)pyridin-3-yl]pyrido[2,3-b]acridine-5,12-dione","","C1=CC=C2C(=C1)C(=C3C(=N2)C(=O)C4=C(C3=O)N=CC=C4)C5=CC(=CN=C5)C6=C7C(=NC8=CC=CC=C86)C(=O)C9=C(C7=O)N=CC=C9","QMMMMNFGQWFLGW-UHFFFAOYSA-N","393106",NA,"PDBC11043","694492","Present"
-"11,11,15-Trimethyl-6-oxa-2,10-diazabicyclo[10.3.1]hexadecane-3,9-dione","","","","","","","","","","","","","","","","","","","","11,11,15-Trimethyl-6-oxa-2,10-diazabicyclo[10.3.1]hexadecane-3,9-dione","","CC1CCC2CC1NC(=O)CCOCCC(=O)NC2(C)C","BOAJOFXLPCMYNC-UHFFFAOYSA-N","376000",NA,"PDBC11044","656380","Present"
-"11,11a-Di(2-pyrazinyl)-6,11a-dihydro-5H-indeno[1,2-c]isoquinolin-5-imine","","","","","","","","","","","","","","","","","","","","11,11a-Di(2-pyrazinyl)-6,11a-dihydro-5H-indeno[1,2-c]isoquinolin-5-imine","","C1=CC=C2C(=C1)C(=NC3=C4C=CC=CC4=C(C23C5=NC=CN=C5)C6=NC=CN=C6)N","UVORGJMDLQUUDW-UHFFFAOYSA-N","374032",NA,"PDBC11045","651211","Present"
-"11,12,35,36-Tetrabromo-50,51-diphenyl-2,5,8,15,18,21,26,29,32,39,42,45-dodecaoxa-49,52,57,59-tetrazadecacyclo[44.15.2.149,52.09,14.022,55.025,54.033,38.047,61.050,59.051,57]tetrahexaconta-1(61),9,11,13,22(55),23,25(54),33,35,37,46,62-dodecaene-58,64-dione","","","","","","","","","","","","","","","","","","","","11,12,35,36-Tetrabromo-50,51-diphenyl-2,5,8,15,18,21,26,29,32,39,42,45-dodecaoxa-49,52,57,59-tetrazadecacyclo[44.15.2.149,52.09,14.022,55.025,54.033,38.047,61.050,59.051,57]tetrahexaconta-1(61),9,11,1","","C1COC2=C3CN4C(=O)N5CC6=C(C=CC7=C6CN8C5(C4(N(C8=O)CC3=C(C=C2)OCCOCCOC9=CC(=C(C=C9OCCOCCO7)Br)Br)C2=CC=CC=C2)C2=CC=CC=C2)OCCOCCOC2=CC(=C(C=C2OCCO1)Br)Br","OHZFWTLYXKEHMK-UHFFFAOYSA-N","5465257",NA,"PDBC11046","642894","Present"
-"11,12-Dihydro-5H-benzo[c]phenanthridin-6-one","","","","","","","","","","","","","","","","","","","","AMAXBIKMKZRFCE-UHFFFAOYSA-N","","C1CC2=C(C3=CC=CC=C31)NC(=O)C4=CC=CC=C24","AMAXBIKMKZRFCE-UHFFFAOYSA-N","362864",NA,"PDBC11047","627270","Present"
-"11,12-Dihydrodibenzo[a,e]cycloocten-5(6H)-one","","","","","","","","","","","","","","","","","","","","11,12-Dihydrodibenzo[a,e]cycloocten-5(6H)-one","","C1CC2=CC=CC=C2C(=O)CC3=CC=CC=C31","WHLICQXKIOKNRQ-UHFFFAOYSA-N","371071",NA,"PDBC11048","645010","Present"
-"11,12-Dihydroquinolino[2,3-b][1,5]benzoxazepine","","","","","","","","","","","","","","","","","","","","11,12-Dihydroquino[2,3-b][1,5]benzoxazepine","","C1C2=CC3=CC=CC=C3N=C2OC4=CC=CC=C4N1","ITYAFHUZFUVDQV-UHFFFAOYSA-N","361918",NA,"PDBC11049","625353","Present"
-"11,12-Dimethoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene;hydrochloride","","","","","","","","","","","","","","","","","","","","11,12-Dimethoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene;hydrochloride","","CN1C=CC2=NC=CC3=CC(=C(C1=C32)OC)OC.Cl","ZGGNWRRMVPLQRZ-UHFFFAOYSA-N","395378",NA,"PDBC11050","699880","Present"
-"11,12-Dimethylindolo[2,3-a]carbazole-5,6-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","11,12-Dimethylindolo[2,3-a]carbazole-5,6-dicarboxylic acid dimethyl ester","","CN1C2=CC=CC=C2C3=C(C(=C4C5=CC=CC=C5N(C4=C31)C)C(=O)OC)C(=O)OC","LPMNDVFJSGXBLR-UHFFFAOYSA-N","392070",NA,"PDBC11051","691882","Present"
-"11,13-Dimethoxy-5,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-6-one","","","","","","","","","","","","","","","","","","","","11,13-dimethoxy-5,8,9,13b-tetrahydro-6H-isoquinolino[2,1...","","COC1=CC2=C(C3C4=CC=CC=C4NC(=O)N3CC2)C(=C1)OC","YAIUYQYSNWIESM-UHFFFAOYSA-N","155806029",NA,"PDBC11052","782052","Present"
-"11,13-Dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,10(14)-hexaene;hydrochloride","","","","","","","","","","","","","","","","","","","","11,13-Dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,10(14)-hexaene;hydrochloride","","C1OC2=C(O1)C3=NC=CC4=C3C(=C2)C=CN4.Cl","MNSZGHTUSLDAMZ-UHFFFAOYSA-N","395382",NA,"PDBC11053","699882","Present"
-"11,15,25-Trithia-2,13,16,27-tetrazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),4(12),5(10),13,18(26),19(24)-hexaene-3,17-dione","","","","","","","","","","","","","","","","","","","","11,15,25-Trithia-2,13,16,27-tetrazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),4(12),5(10),13,18(26),19(24)-hexaene-3,17-dione","","C1CCC2=C(C1)C3=C(S2)N=C4N5C(=O)C6=C(N=C5SN4C3=O)SC7=C6CCCC7","QQOXZYOZLNABPP-UHFFFAOYSA-N","396924",NA,"PDBC11054","704105","Present"
-"11,16-Diphenyl-11,16-diazapentacyclo[6.5.5.02,7.09,13.014,18]octadeca-2,4,6-triene-10,12,15,17-tetrone","","","","","","","","","","","","","","","","","","","","11,16-Diphenyl-11,16-diazapentacyclo[6.5.5.02,7.09,13.014,18]octadeca-2,4,6-triene-10,12,15,17-tetrone","","C1=CC=C(C=C1)N2C(=O)C3C4C5C(C(C3C2=O)C6=CC=CC=C46)C(=O)N(C5=O)C7=CC=CC=C7","VOAQZUPZPIBDPI-UHFFFAOYSA-N","363087",NA,"PDBC11055","627652","Present"
-"11,17-Diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene","","","","","","","","","","","","","","","","","","","","Naphtho[2',1':4,5]imidazo[1,2-a]pyridine","","C1=CC=C2C(=C1)C=CC3=C2N4C=CC=CC4=N3","PWRVWEBBXGUGFI-UHFFFAOYSA-N","378352",NA,"PDBC11056","660434","Present"
-"11,17-Diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene","","","","","","","","","","","","","","","","","","","","Naphtho[2',3':4,5]imidazo[1,2-a]pyridine","","C1=CC=C2C=C3C(=CC2=C1)N=C4N3C=CC=C4","SOJQAHSUDPBYSJ-UHFFFAOYSA-N","378350",NA,"PDBC11057","660432","Present"
-"11,25-Dimethyl-14,28-dithia-11,25-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,15,18(27),19,21,23-undecaene-12,26-dione","","","","","","","","","","","","","","","","","","","","11,25-Dimethyl-14,28-dithia-11,25-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,15,18(27),19,21,23-undecaene-12,26-dione","","CN1C2=CC=CC=C2C3=C(C1=O)SC4=CC5=C(C=C43)SC6=C5C7=CC=CC=C7N(C6=O)C","LQENZDHYIXLQTE-UHFFFAOYSA-N","391099",NA,"PDBC11058","689717","Present"
-"11-((2-((Diethylamino)methyl)phenyl)acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one","","","","","","","","","","","","","","","","","","","","11-((2-((Diethylamino)methyl)phenyl)acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one","","CCN(CC)CC1=CC=CC=C1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4","PGJBMCFWHOCWEO-UHFFFAOYSA-N","379654",NA,"PDBC11059","664532","Present"
-"11-((4-Hydroxy-3-methoxybenzyl)amino)-11-oxoundecyl thiocyanate","","","","","","","","","","","","","","","","","","","","11-((4-Hydroxy-3-methoxybenzyl)amino)-11-oxoundecyl thiocyanate","","COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCCCSC#N)O","GWPNSFLGYARZKB-UHFFFAOYSA-N","379443",NA,"PDBC11060","663991","Present"
-"11-((4-Methylphenyl)sulfonyl)-1,4,8-trithia-11-azacyclotetradecane","","","","","","","","","","","","","","","","","","","","11-((4-Methylphenyl)sulfonyl)-1,4,8-trithia-11-azacyclotetradecane","","CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCCSCCCSCC2","FHRYPKFLVGHQCR-UHFFFAOYSA-N","373817",NA,"PDBC11061","650780","Present"
-"11-((4-Methylphenyl)sulfonyl)-5H-benzo[5,6]indeno[2,1-b]pyridine-5,10(10aH)-dione","","","","","","","","","","","","","","","","","","","","11-((4-Methylphenyl)sulfonyl)-5H-benzo[5,6]indeno[2,1-b]pyridine-5,10(10aH)-dione","","CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C4C2C(=O)C5=CC=CC=C5C4=O)C=CC=N3","ACEWXYWGLWTBDY-UHFFFAOYSA-N","375333",NA,"PDBC11062","654907","Present"
-"11-((Triphenylphosphoranylidene)amino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","11-[(Triphenyl-lambda5-phosphanylidene)amino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile","","C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","GJWJNMAQFUCYBQ-UHFFFAOYSA-N","364726",NA,"PDBC11063","631384","Present"
-"11-(2,4-Dihydroxyphenyl)-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-one","","","","","","","","","","","","","","","","","","","","11-(2,4-Dihydroxyphenyl)-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-one","","C1=CC=C2C(=C1)C=CC3=C2C4=C(C(=N3)C5=C(C=C(C=C5)O)O)C(=O)C6=CC=CC=C64","CZZATDZFUSSDNW-UHFFFAOYSA-N","394736",NA,"PDBC11064","698404","Present"
-"11-(2-Dimethylaminoethyl)pyrido[2,3-b]acridine-5,12-dione","","","","","","","","","","","","","","","","","","","","Pyrido[2,3-b]acridine-5,12-dione, 11-[2-(dimethylamino)e...","","CN(C)CCC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4","CFHWMIRGIMFRIH-UHFFFAOYSA-N","387193",NA,"PDBC11065","680734","Present"
-"11-(2-Methoxyphenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one","","","","","","","","","","","","","","","","","","","","11-(2-Methoxyphenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one","","COC1=CC=CC=C1C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6","YKXOINLYQMPTFJ-UHFFFAOYSA-N","54608996",NA,"PDBC11066","698245","Present"
-"11-(2-Morpholinoethyl)-5,6-dihydrobenzo[a]carbazol-2-ol","","","","","","","","","","","","","","","","","","","","N-(2-ethyl-morpholino)-2-hydroxy-5,6-dihydrobenzo[a]carb...","","C1CC2=C(C3=C1C=CC(=C3)O)N(C4=CC=CC=C24)CCN5CCOCC5","VJXJWENCODNZRE-UHFFFAOYSA-N","392566",NA,"PDBC11067","693111","Present"
-"11-(2-Morpholinoethyl)-5,6-dihydrobenzo[a]carbazol-8-ol","","","","","","","","","","","","","","","","","","","","N-(2-ethyl-morpholino)-8-hydroxy-5,6-dihydrobenzo[a]carb...","","C1CC2=C(C3=CC=CC=C31)N(C4=C2C=C(C=C4)O)CCN5CCOCC5","GDADCCDOARLRTC-UHFFFAOYSA-N","392569",NA,"PDBC11068","693114","Present"
-"11-(2-Morpholinoethyl)-5,6-dihydrobenzo[a]carbazole-2,8-diol","","","","","","","","","","","","","","","","","","","","11-(2-Morpholinoethyl)-5,6-dihydrobenzo[a]carbazole-2,8-diol","","C1CC2=C(C3=C1C=CC(=C3)O)N(C4=C2C=C(C=C4)O)CCN5CCOCC5","QPGOLBVDVVXGMN-UHFFFAOYSA-N","389977",NA,"PDBC11069","686760","Present"
-"11-(2-Morpholinoethyl)-5,6-dihydrobenzo[a]carbazole-3,8-diol","","","","","","","","","","","","","","","","","","","","N-(2-ethyl-morpholino)-3,8-dihydroxy-5,6-dihydrobenzo[a]...","","C1CC2=C(C3=C1C=C(C=C3)O)N(C4=C2C=C(C=C4)O)CCN5CCOCC5","CDYKBAWHYDICLA-UHFFFAOYSA-N","392567",NA,"PDBC11070","693112","Present"
-"11-(2-Pyridinyl)-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","11-(2-Pyridinyl)-1H-benzo[a]carbazole-1,4(11H)-dione","","C1=CC=C2C(=C1)C3=C(N2C4=CC=CC=N4)C5=C(C=C3)C(=O)C=CC5=O","NIXDVAMVVBWQGY-UHFFFAOYSA-N","375750",NA,"PDBC11071","655897","Present"
-"11-(3'-Methylaminopropylidene]-5,3-dimeth oxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinolin e","","","","","","","","","","","","","","","","","","","","11-(3'-Methylaminopropylidene]-5,6-dihydro-5-keto-2,3-di...","","CNCCC=C1C2=CC3=C(C=C2C4=C1C5=CC(=C(C=C5C(=O)N4C)OC)OC)OCO3","DAXQNHNQUJSUAW-AWNIVKPZSA-N","45027834",NA,"PDBC11072","727048","Present"
-"11-(3'Aminopropylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","11-(3'Aminopropylidene)-5,6-dihydro-5-oxo-2,3-dimethoxy-...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCN)C4=CC5=C(C=C42)OCO5","JVLFFLPZENYPFH-LFYBBSHMSA-N","9978660",NA,"PDBC11073","724562","Present"
-"11-(3,4,5-Trimethoxyphenyl)-11,12-dihydro-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one","","","","","","","","","","","","","","","","","","","","11-(3,4,5-Trimethoxyphenyl)-5,6,11,12-tetrahydropyrido[3...","","COC1=CC(=CC(=C1OC)OC)C2CC3=C(C=CC=N3)C4=C2C5=C(C=CC=N5)C(=O)N4","JGSPCYXERWWIJM-UHFFFAOYSA-N","155814851",NA,"PDBC11074","782739","Present"
-"11-(3,4,5-Trimethoxyphenyl)-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one","","","","","","","","","","","","","","","","","","","","6-(2-hydroxyethyl)-10-(3,4,5-trimethoxyphenyl)-2,3,7,10-...","","COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4","QZKWJWJZWYRWMR-UHFFFAOYSA-N","50900825",NA,"PDBC11075","750720","Present"
-"11-(3,4-Dichlorophenyl)-11,12-dihydropyrido[3,2-c][1,7]phenanthrolin-6-amine","","","","","","","","","","","","","","","","","","","","6-Amino-11-(3,4-dichlorophenyl)-11,12-dihydropyrido[3,2-...","","C1C(C2=C(C3=C1N=CC=C3)N=C(C4=C2N=CC=C4)N)C5=CC(=C(C=C5)Cl)Cl","OJEPSDRPIIWLHM-UHFFFAOYSA-N","155809465",NA,"PDBC11076","782845","Present"
-"11-(3,4-Dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine","","","","","","","","","","","","","","","","","","","","6-Amino-11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-...","","C1C(C2=C(C3=C1C=NC=C3)N=C(C4=C2C=NC=C4)N)C5=CC(=C(C=C5)Cl)Cl","YURWFEUKIWRRBK-UHFFFAOYSA-N","155812036",NA,"PDBC11077","781933","Present"
-"11-(3-Bromophenyl)-11,12-dihydropyrido[3,2-c][1,7]phenanthrolin-6-amine","","","","","","","","","","","","","","","","","","","","6-Amino-11-(3-bromophenyl)-11,12-dihydropyrido[3,2-c][1,...","","C1C(C2=C(C3=C1N=CC=C3)N=C(C4=C2N=CC=C4)N)C5=CC(=CC=C5)Br","VOGLHIOTDZHPIX-UHFFFAOYSA-N","155816475",NA,"PDBC11078","782844","Present"
-"11-(3-Bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine","","","","","","","","","","","","","","","","","","","","6-Amino-11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,...","","C1C(C2=C(C3=C1C=NC=C3)N=C(C4=C2C=NC=C4)N)C5=CC(=CC=C5)Br","LIRYCWARRXNXFD-UHFFFAOYSA-N","155810163",NA,"PDBC11079","781929","Present"
-"11-(3-Chlorophenyl)-11,12-dihydropyrido[3,2-c][1,7]phenanthrolin-6-amine","","","","","","","","","","","","","","","","","","","","6-Amino-11-(3-chlorophenyl)-11,12-dihydropyrido[3,2-c][1...","","C1C(C2=C(C3=C1N=CC=C3)N=C(C4=C2N=CC=C4)N)C5=CC(=CC=C5)Cl","HXMQBPJNNUKXJS-UHFFFAOYSA-N","155806993",NA,"PDBC11080","782736","Present"
-"11-(3-Chlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine","","","","","","","","","","","","","","","","","","","","6-Amino-11-(3-chlorophenyl)-11,12-dihydropyrido[4,3-c][1...","","C1C(C2=C(C3=C1C=NC=C3)N=C(C4=C2C=NC=C4)N)C5=CC(=CC=C5)Cl","JKPOVXJAJLGGIF-UHFFFAOYSA-N","155807248",NA,"PDBC11081","781932","Present"
-"11-(3-Chlorophenyl)-5H-pyrido[4,3-c][1,8]phenanthrolin-6-one","","","","","","","","","","","","","","","","","","","","11-(3-chlorophenylphenyl)-[4,3-c][1,8]phenanthroline-6-one","","C1=CC(=CC(=C1)Cl)C2=C3C4=C(C=CN=C4)C(=O)NC3=C5C=CN=CC5=C2","PSDRZBADCRPKGT-UHFFFAOYSA-N","155817176",NA,"PDBC11082","784604","Present"
-"11-(3-Methoxyphenyl)-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one","","","","","","","","","","","","","","","","","","","","6-(2-hydroxyethyl)-10-(3-methoxyphenyl)-2,3,7,10-tetrahy...","","COC1=CC=CC(=C1)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4","LFLKZTIFAOFDNF-UHFFFAOYSA-N","50900910",NA,"PDBC11083","750722","Present"
-"11-(3-Nitrophenyl)benzo[a]carbazole-1,4-dione","","","","","","","","","","","","","","","","","","","","1H-Benzo[a]carbazole-1,4-dione, 4,11-dihydro- 11-(3-nitr...","","C1=CC=C2C(=C1)C3=C(N2C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O","YVNATEYMHZWDEJ-UHFFFAOYSA-N","378583",NA,"PDBC11084","661223","Present"
-"11-(4'-Aminobutylidene)-5,3-dimethoxy-6-me thyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","11-(4'-Aminobutylidene)-5,6-dihydro-5-oxo-2,3-dimethoxy-...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCN)C4=CC5=C(C=C42)OCO5","ZNZJHMVLEVDSND-AWNIVKPZSA-N","45027844",NA,"PDBC11085","727621","Present"
-"11-(4'-Bromobutylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","11-(4'-Bromobutylidene)-5,6-dihydro-2,3-dimethoxy-6-meth...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCBr)C4=CC5=C(C=C42)OCO5","RSBWWFKWURUQER-AWNIVKPZSA-N","10896187",NA,"PDBC11086","720325","Present"
-"11-(4'-Iodobutylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","11-(4'-Iodobutylidene)-5,6-dihydro-2,3-dimethoxy-6-methy...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCI)C4=CC5=C(C=C42)OCO5","IOHJNQPDGUGBMV-AWNIVKPZSA-N","5472476",NA,"PDBC11087","719211","Present"
-"11-(4'-Methylaminobutylidene)-5,3-dimethox y-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","11-(4'-Methylaminobutylidene)-5,6-dihydro-5-oxo-2,3-dime...","","CNCCCC=C1C2=CC3=C(C=C2C4=C1C5=CC(=C(C=C5C(=O)N4C)OC)OC)OCO3","PHIGKJCNGJFDGA-VGOFMYFVSA-N","45027845",NA,"PDBC11088","727622","Present"
-"11-(4-Benzoylphenyl)benzo[a]carbazole-1,4-dione","","","","","","","","","","","","","","","","","","","","11-(4-Benzoylphenyl)benzo[a]carbazole-1,4-dione","","C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C(=O)C=CC6=O","RJQNGGVSKXKZSI-UHFFFAOYSA-N","397018",NA,"PDBC11089","704281","Present"
-"11-(4-Chlorophenyl)-11H-isoindolo[2,1-a]benzimidazole","","","","","","","","","","","","","","","","","","","","11-(4-Chlorophenyl)-11H-isoindolo[2,1-a]benzimidazole hydrochloride","","C1=CC=C2C(=C1)C(N3C2=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl.Cl","ONBGXRCRBFEMNM-UHFFFAOYSA-N","395626",NA,"PDBC11090","700411","Present"
-"11-(4-Chlorophenyl)-12,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one","","","","","","","","","","","","","","","","","","","","11-(4-Chlorophenyl)-12,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one","","C1CN2C(=O)C3=CC4=CC=CC=C4C=C3C2(N1)C5=CC=C(C=C5)Cl","MJYUYNNPUNFARL-UHFFFAOYSA-N","395645",NA,"PDBC11091","700427","Present"
-"11-(4-Chlorophenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one","","","","","","","","","","","","","","","","","","","","11-(4-Chlorophenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one","","C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=C(C=C6)Cl","FWBHYMXVWQTXCL-UHFFFAOYSA-N","54608892",NA,"PDBC11092","697272","Present"
-"11-(4-Chlorophenyl)imino-14-methyl-15-phenyl-10,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,8,12-hexaen-16-one","","","","","","","","","","","","","","","","","","","","11-(4-Chlorophenyl)imino-14-methyl-15-phenyl-10,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,8,12-hexaen-16-one","","CN1C2=NC(=NC3=CC=C(C=C3)Cl)N4C=CC5=CC=CC=C5C4=C2C(=O)N1C6=CC=CC=C6","JHBWFURRDLGFEY-UHFFFAOYSA-N","386668",NA,"PDBC11093","679195","Present"
-"11-(4-Chlorophenyl)isoindolo[2,3-a]benzimidazol-11-ol","","","","","","","","","","","","","","","","","","","","11-(4-Chlorophenyl)isoindolo[2,3-a]benzimidazol-11-ol","","C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C2(C5=CC=C(C=C5)Cl)O","KZVAORHWOZQQCC-UHFFFAOYSA-N","395625",NA,"PDBC11094","700410","Present"
-"11-(4-Dimethylaminobenzyliden)-8-methoxy-5-methyl-11H-indolo [1,2-b]indazolium trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","11-(4-dimethylaminobenzyliden)-8-methoxy-5-methyl-11H-in...","","C[N+]1=C2C=C(C=CC2=C3N1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C)OC.C(F)(F)(F)S(=O)(=O)[O-]","RFZPAEVEBWMZQT-UHFFFAOYSA-M","24202849",NA,"PDBC11095","726089","Present"
-"11-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole","","","","","","","","","","","","","","","","","","","","11-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole","","C1COCCOCCOCCOCCN1C2=NC(=NC(=N2)C3=C4C=CC=CC4=C5N3C6=CC=CC=C6S5)F","YTJOBELHAALESR-UHFFFAOYSA-N","377183",NA,"PDBC11096","658409","Present"
-"11-(4-Fluoro-6-(9H-purin-6-ylthio)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole","","","","","","","","","","","","","","","","","","","","11-(4-Fluoro-6-(9H-purin-6-ylthio)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole","","C1=CC=C2C(=C1)N3C(=C4C=CC=CC4=C3S2)C5=NC(=NC(=N5)SC6=NC=NC7=C6NC=N7)F","QONWIXBYJFPZDE-UHFFFAOYSA-N","377207",NA,"PDBC11097","658437","Present"
-"11-(4-Fluoroanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","Benzimidazo[1,2-b]isoquinoline-6-carbonitrile, 7,8,9,10-...","","C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=C(C=C5)F","WSRXXOKBOGAAQK-UHFFFAOYSA-N","387851",NA,"PDBC11098","682011","Present"
-"11-(4-Morpholinyl)-11H-indeno[1,2-b]quinoline","","","","","","","","","","","","","","","","","","","","11-(4-Morpholinyl)-11H-indeno[1,2-b]quinoline","","C1COCCN1C2C3=CC=CC=C3C4=NC5=CC=CC=C5C=C24","GCVZMKPZSVQVNL-UHFFFAOYSA-N","245879",NA,"PDBC11099","58255","Present"
-"11-(4-Nitro-9-oxo-9,10-dihydro-acridin-1-ylamino)-undecanoic acid 5-acetylamino-6-benzyloxy-4-{1-[1-(1-benzyloxycarbonyl-3-carbamoyl-propylcarbamoyl)-ethylcarbamoyl]-ethoxy}-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","[5-Acetamido-4-[1-[[1-[(5-amino-1,5-dioxo-1-phenylmethoxypentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-3-hydroxy-6-phenylmethoxyoxan-2-yl]methyl 11-[(4-nitro-9-oxo-10H-acridin-1-yl)a","","CC(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC2C(C(OC(C2O)COC(=O)CCCCCCCCCCNC3=C4C(=C(C=C3)[N+](=O)[O-])NC5=CC=CC=C5C4=O)OCC6=CC=CC=C6)NC(=O)C","TXEAVDGAHVNGFO-UHFFFAOYSA-N","370037",NA,"PDBC11100","642599","Present"
-"11-(5'-Aminopentylidene)-5,3-dimethoxy-t-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","11-(5'-Aminopentylidene)-5,6-dihydro-2,3-dimethoxy-t-met...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCN)C4=CC5=C(C=C42)OCO5","LWZZVGRLAQAFSE-VGOFMYFVSA-N","45027861",NA,"PDBC11101","729635","Present"
-"11-(6'-Aminohexylidene]-5,3-dimethoxy-6-m ethyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","11-(6'-Aminohexylidene]-5,6-dihydro-5-keto-2,3-dimethoxy...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCCN)C4=CC5=C(C=C42)OCO5","HYKMWCYLCUWAHH-OVCLIPMQSA-N","45027835",NA,"PDBC11102","727049","Present"
-"11-(Dimethylamino)-1,11a-dihydro-5H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-5-thione","","","","","","","","","","","","","","","","","","","","4-(Dimethylamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","CN(C)C1=NC2=CC=CC=C2C(=S)N3C1CSC3","FIFBKXOSVMXIKZ-UHFFFAOYSA-N","388503",NA,"PDBC11103","683488","Present"
-"11-(Hydroxymethyl)-4,4,6,6-tetra(propan-2-yl)-3,5,7,10,18-pentaoxa-12,16-diaza-4,6-disilatetracyclo[9.7.0.02,9.012,17]octadeca-13,16-dien-15-one","","","","","","","","","","","","","","","","","","","","[6aR-(6a.alpha.,7a.alpha.,13a.alpha.,13b.beta.)]-6a,7a,1...","","CC(C)[Si]1(OCC2C(C3C(O2)(N4C=CC(=O)N=C4O3)CO)O[Si](O1)(C(C)C)C(C)C)C(C)C","YPGWLSDQTPCAJF-UHFFFAOYSA-N","496654",NA,"PDBC11104","696552","Present"
-"11-(Methylamino)-1,11a-dihydro-5H-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-5-one","","","","","","","","","","","","","","","","","","","","4-Methylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-10-one","","CN=C1C2CSCN2C(=O)C3=CC=CC=C3N1","DNKYEJKYWUELHY-UHFFFAOYSA-N","135435554",NA,"PDBC11105","683487","Present"
-"11-Amino-15-(dicyanomethylidene)-1-methyl-8-oxa-12,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,13-hexaene-10,14-dicarbonitrile","","","","","","","","","","","","","","","","","","","","Propanedinitrile, [5-amino-3,6-dicyano-1,2,4-trihydro-11...","","CC12C3=CC=CC=C3OC4=C1C(=C(C(=C(C#N)C#N)N2)C#N)NC(=C4C#N)N","JAWXIUAFXQWDRG-UHFFFAOYSA-N","389421",NA,"PDBC11106","685503","Present"
-"11-Amino-4,6-dimethyl-13-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carbonitrile","","","","","","","","","","","","","","","","","","","","11-Amino-4,6-dimethyl-13-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carbonitrile","","CC1=CC(=NC2=C3C(=C(C(=NC3=NN12)N)C#N)C4=CC=CC=C4)C","BZNFMOUDQBIYFN-UHFFFAOYSA-N","395924",NA,"PDBC11107","701019","Present"
-"11-Aminocarbonylmethylen-11H-indolo[1,2-a]indazole","","","","","","","","","","","","","","","","","","","","11-Aminocarbonylmethylen-11H-indolo[1,2-a]indazole","","C1=CC=C2C(=C1)C(=CC(=O)N)C3=C4C=CC=CC4=NN23","RIALFJJNUAQMNT-XFXZXTDPSA-N","5472502",NA,"PDBC11108","719691","Present"
-"11-Azido-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","11-Azido-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile","","C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N=[N+]=[N-]","PJFWRWSCJTVZGM-UHFFFAOYSA-N","364725",NA,"PDBC11109","631383","Present"
-"11-Benzoyl-4-ethylsulfanyl-6-methyl-17-oxa-6,11-diazapentacyclo[7.6.1.14,7.02,7.012,16]heptadeca-1(16),12,14-trien-5-one","","","","","","","","","","","","","","","","","","","","11-Benzoyl-4-ethylsulfanyl-6-methyl-17-oxa-6,11-diazapentacyclo[7.6.1.14,7.02,7.012,16]heptadeca-1(16),12,14-trien-5-one","","CCSC12CC3C4=C5C(CC3(O1)N(C2=O)C)CN(C5=CC=C4)C(=O)C6=CC=CC=C6","PSORSYJKNJMUHN-UHFFFAOYSA-N","397446",NA,"PDBC11110","705304","Present"
-"11-Benzoyl-5-methylisoindolo[2,1-a]quinoxalin-6(5H)-one","","","","","","","","","","","","","","","","","","","","11-Benzoyl-5-methylisoindolo[2,1-a]quinoxalin-6(5H)-one","","CN1C2=CC=CC=C2N3C(=C4C=CC=CC4=C3C(=O)C5=CC=CC=C5)C1=O","UQDAKFYKLTXINQ-UHFFFAOYSA-N","370372",NA,"PDBC11111","643437","Present"
-"11-Benzyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","11-Benzyl-1H-benzo[a]carbazole-1,4(11H)-dione","","C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C=CC5=O","DNRIEXQBNHKTMC-UHFFFAOYSA-N","376312",NA,"PDBC11112","657026","Present"
-"11-Benzyl-2,3-dimethyl-8,9-dihydro-7H-pyrazino[2,3-a]carbazole-5,6,10-trione","","","","","","","","","","","","","","","","","","","","11-Benzyl-2,3-dimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione","","CC1=C(N=C2C(=N1)C3=C(C4=C(N3CC5=CC=CC=C5)C(=O)CCC4)C(=O)C2=O)C","OTIVGUJQNBINMY-UHFFFAOYSA-N","405346",NA,"PDBC11113","722569","Present"
-"11-Benzyl-5-hydroxy-2,3-dimethyl-8,9-dihydro-7H-pyrazino[2,3-a]carbazol-10-one","","","","","","","","","","","","","","","","","","","","11-Benzyl-2,3-dimethyl-7,8,9,11-tetrahydro-1h-pyrazino[2,3-a]carbazole-5,10-dione","","CC1=NC2=C(C=C3C4=C(C(=O)CCC4)N(C3=C2N=C1C)CC5=CC=CC=C5)O","HRHGPDZSDMQFSX-UHFFFAOYSA-N","135426815",NA,"PDBC11114","720174","Present"
-"11-Bromo-N-vanillyl-10-undecenamide","","","","","","","","","","","","","","","","","","","","LS-158467","","COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCC=CBr)O","XMODDDKIFUQQLF-UKTHLTGXSA-N","5886580",NA,"PDBC11115","659191","Present"
-"11-Butyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","11-Butyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CCCCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O","UXCKUUWPUKMVIS-UHFFFAOYSA-N","373632",NA,"PDBC11116","650352","Present"
-"11-Carboxymethylen-11H-indolo[1,2-a]indazole","","","","","","","","","","","","","","","","","","","","11-Carboxymethylen-11H-indolo[1,2-a]indazole","","C1=CC=C2C(=C1)C(=CC(=O)O)C3=C4C=CC=CC4=NN23","RFKGFCWDDYBHQW-XFXZXTDPSA-N","5472500",NA,"PDBC11117","719689","Present"
-"11-Chloro-10-methyl-10H-indolo[3,2-b]quinoline","","","","","","","","","","","","","","","","","","","","11-Chloro-10-methyl-10H-indolo[3,2-b]quinoline","","CN1C2=CC=CC=C2C3=NC4=CC=CC=C4C(=C31)Cl","KPRCLSULWXGYKE-UHFFFAOYSA-N","384477",NA,"PDBC11118","674281","Present"
-"11-Chloro-10H-indolo[3,2-b]quinoline","","","","","","","","","","","","","","","","","","","","11-chloro-10H-indolo[3,2-b]quinoline","","C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=C3N2)Cl","DUMZYVAZBKDIQG-UHFFFAOYSA-N","5454187",NA,"PDBC11119","693852","Present"
-"11-Chloro-2,3-dimethyl-5,5a,7,8,9,10-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","11-Chloro-2,3-dimethyl-5,5a,7,8,9,10-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile","","CC1=CC2=C(C=C1C)N3C(N2)C(=C4CCCCC4=C3Cl)C#N","SVXUUVNHTAJYNR-UHFFFAOYSA-N","387847",NA,"PDBC11120","682007","Present"
-"11-Chloro-4,12-diethyl-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione","","","","","","","","","","","","","","","","","","","","1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,1...","","CCC1C2=C(COC1=O)C(=O)N3C(C4=C(C5=CC=CC=C5N=C4C3=C2)Cl)CC","DMEFYKZHPYTSLZ-UHFFFAOYSA-N","317563",NA,"PDBC11121","249913","Present"
-"11-Chloro-4-ethyl-3-hydroxy-1,3,4,12-tetrahydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-14-one","","","","","","","","","","","","","","","","","","","","1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14(12H)-on...","","CCC1C(OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)Cl)O","NVUCXWARTRYWFI-UHFFFAOYSA-N","317561",NA,"PDBC11122","249911","Present"
-"11-Cyano-2,3-dichloro-7-azaisoindolo[2,1-c]benzo[1,2,4]triazine","","","","","","","","","","","","","","","","","","","","11-Cyano-2,3-dichloro-7-azaisoindolo[2,1-c]benzo[1,2,4]t...","","C1=CC2=C(N3C4=CC(=C(C=C4N=NC3=C2N=C1)Cl)Cl)C#N","PKBYQSQYWNWWBO-UHFFFAOYSA-N","60147944",NA,"PDBC11123","753211","Present"
-"11-Cyanomethylen-11H-indolo[1,2-a]indazole","","","","","","","","","","","","","","","","","","","","11-Cyanomethylen-11H-indolo[1,2-a]indazole","","C1=CC=C2C(=C1)C(=CC#N)C3=C4C=CC=CC4=NN23","YHSSELMFFNKMFD-XFXZXTDPSA-N","5472501",NA,"PDBC11124","719690","Present"
-"11-Cyanomethylen-2-methoxy-6-methyl-11H-indolo[1,2-b]indazol ium trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","11-Cyanomethylen-2-methoxy-6-methyl-11H-indolo[1,2-b]ind...","","C[N+]1=C2C=CC=CC2=C3N1C4=C(C3=CC#N)C=C(C=C4)OC.C(F)(F)(F)S(=O)(=O)[O-]","AZWLWIIRUMHRKC-CHHCPSLASA-M","5472729",NA,"PDBC11125","721154","Present"
-"11-Cyanomethylen-6-methyl-11H-indolo[1,2-b]indazolium trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","11-Cyanomethylen-6-methyl-11H-indolo[1,2-b]indazolium tr...","","C[N+]1=C2C=CC=CC2=C3N1C4=CC=CC=C4C3=CC#N.C(F)(F)(F)S(=O)(=O)[O-]","NAJPKONPVHLSQW-ALUHPYBCSA-M","5472519",NA,"PDBC11126","720053","Present"
-"11-Demethylellipticine","","","","","","","","","","","","","","","","","","","","11-dimethylellipticine","","CC1=C2C=CN=CC2=CC3=C1NC4=CC=CC=C43","IWBSLSHNIIOYRW-UHFFFAOYSA-N","77917",NA,"PDBC11127","87206","Present"
-"11-Deoxyclitoriacetal","","","","","","","","","","","","","","","","","","","","11-Deoxyclitoriacetal","","COC1=CC2=C(C=C1)C(=O)C3(C(O2)C(OC4=CC(=C(C=C43)OC)OC)O)O","DKNLJCRQRYRUNC-KGNCLDLBSA-N","397343",NA,"PDBC11128","704946","Present"
-"11-Ethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","11-Ethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O","XMXDDIRXAZIYCB-UHFFFAOYSA-N","375749",NA,"PDBC11129","655896","Present"
-"11-Ethyl-3,11,13-triazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),4,6,8,12,14,16,18,20-nonaene-2,10-dione","","","","","","","","","","","","","","","","","","","","6-Ethyl-5H-benzo[g]quinazolino[2,1-b]quinazoline-5,14(6H)-dione","","CCN1C(=O)C2=CC=CC=C2N3C1=NC4=CC5=CC=CC=C5C=C4C3=O","BRHHKRJUKZQCLZ-UHFFFAOYSA-N","371164",NA,"PDBC11130","645165","Present"
-"11-Ethyl-4,5,12-trimethyl-6-thia-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one","","","","","","","","","","","","","","","","","","","","11-Ethyl-4,5,12-trimethyl-6-thia-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one","","CCN1CC2=NC3=C(C(=C(S3)C)C)C(=O)N2C=C1C","KSNNLSHENDESFZ-UHFFFAOYSA-N","45028557",NA,"PDBC11131","743244","Present"
-"11-Heptyl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one","","","","","","","","","","","","","","","","","","","","11-Heptyl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one","","CCCCCCCC1=CC2=C3C(=N1)C4=C(C=CC=N4)C(=O)C3=NC5=CC=CC=C52","RUODLUXNYXJRIH-UHFFFAOYSA-N","54608959",NA,"PDBC11132","697270","Present"
-"11-Hydroxy aclacinomycin A","","","","","","","","","","","","","","","","","","","","11-Hydroxy aclacinomycin A","","CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O","DGBFPZUOWZFVHF-UHFFFAOYSA-N","438788",NA,"PDBC11133","670121","Present"
-"11-Hydroxy aclacinomycin X","","","","","","","","","","","","","","","","","","","","11-Hydroxy aclacinomycin X","","CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7C(=CC(=O)C(O7)C)N)O)N(C)C)O","LPFZXQBRNYTAKP-UHFFFAOYSA-N","438789",NA,"PDBC11134","670122","Present"
-"11-Hydroxy-5,6-dihydrobenzo[b][1]benzophosphepine 11-oxide","","","","","","","","","","","","","","","","","","","","11-Hydroxy-5,6-dihydrobenzo[b][1]benzophosphepine 11-oxide","","C1CC2=CC=CC=C2P(=O)(C3=CC=CC=C31)O","FDCCXBNBWLWDGD-UHFFFAOYSA-N","380781",NA,"PDBC11135","666491","Present"
-"11-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[5,6-f]indolizine-7,10-dione","","","","","","","","","","","","","","","","","","","","11-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[6,5-f]indolizine-7,10-dione","","COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C(=C3C(=O)C5N2C(=O)CC5)O)OCO4","BARMBVQBEBSKCX-UHFFFAOYSA-N","384205",NA,"PDBC11136","673610","Present"
-"11-Hydroxymethyl-20(RS)-camptothecin","","","","","","","","","","","","","","","","","","","","NSC606173","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C=CC5=C4)CO)O","OMGTYUHDWOFQOZ-UHFFFAOYSA-N","354395",NA,"PDBC11137","606173","Present"
-"11-Hydroxyusambarine Chlorhydrate","","","","","","","","","","","","","","","","","","","","11-hydroxyusambarine Chlorhydrate","","CN1CCC2=C(C1CC3CC4C5=C(CCN4CC3C=C)C6=C(N5)C=C(C=C6)O)NC7=CC=CC=C27.Cl","JGPOLZGFOQNTIX-SQLTZDDBSA-N","401426",NA,"PDBC11138","715082","Present"
-"11-Hydroxyvittatine","","","","","","","","","","","","","","","","","","","","11-Hydroxyvittatine","","C1C(C=CC23C1N(CC2O)CC4=CC5=C(C=C34)OCO5)O","KWAOMPWGIIXDPH-PMQCVPOWSA-N","402595",NA,"PDBC11139","716725","Present"
-"11-Imino-1,3-dimethyl-11H-purino[8,9-b][1,3]benzothiazine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","11-Imino-1,3-dimethyl-11H-purino[8,9-b][1,3]benzothiazine-2,4(1H,3H)-dione","","CN1C2=C(C(=O)N(C1=O)C)N=C3N2C(=N)C4=CC=CC=C4S3","KKXXGJNITNOJBF-UHFFFAOYSA-N","366230",NA,"PDBC11140","634566","Present"
-"11-Methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-12-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","11-Methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-12-ol;hydrochloride","","CN1C=CC2=NC=CC3=CC(=C(C1=C32)O)OC.Cl","QDPIFMPJXXTUPE-UHFFFAOYSA-N","395376",NA,"PDBC11141","699879","Present"
-"11-Methoxy-5-methylindolo[2,3-b]quinoline","","","","","","","","","","","","","","","","","","","","11-Methoxy-5-methylindolo[2,3-b]quinoline","","CN1C2=CC=CC=C2C(=C3C1=NC4=CC=CC=C43)OC","YBUBMZFXFWHSLS-UHFFFAOYSA-N","24204055",NA,"PDBC11142","730512","Present"
-"11-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol","","","","","","","","","","","","","","","","","","","","11-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol","","COC1=CC=CC2=C1OC3C4=CC=CC=C4OCC3(C2)O","JMFKDROYJIGIGN-UHFFFAOYSA-N","387599",NA,"PDBC11143","681608","Present"
-"11-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","11-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","COC1=CC=CC2=C1OC3C(C2)COC4=CC=CC=C34","PIIUHUKEIRFHOR-UHFFFAOYSA-N","387589",NA,"PDBC11144","681598","Present"
-"11-Methoxycarbonylmethylen-11H-indolo[1,2-a]indazole","","","","","","","","","","","","","","","","","","","","11-Methoxycarbonylmethylen-11H-indolo[1,2-a]indazole","","COC(=O)C=C1C2=CC=CC=C2N3C1=C4C=CC=CC4=N3","INQZKASVWJPXML-RAXLEYEMSA-N","5472499",NA,"PDBC11145","719688","Present"
-"11-Methoxycarbonylmethylene-6-methyl-11H-indolo[1,2-b]indazo lium trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","11-Methoxycarbonylmethylene-6-methyl-11H-indolo[1,2-b]in...","","C[N+]1=C2C=CC=CC2=C3N1C4=CC=CC=C4C3=CC(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]","IRSGEWKLQWKZMJ-IRIIKGHASA-M","5472517",NA,"PDBC11146","720052","Present"
-"11-Methoxyrutecarprine","","","","","","","","","","","","","","","","","","","","11-Methoxyrutecarprine","","COC1=CC2=C(C=C1)C3=C(N2)C4=NC5=CC=CC=C5C(=O)N4CC3","POMASUJAYQAJQZ-UHFFFAOYSA-N","378228",NA,"PDBC11147","660031","Present"
-"11-Methoxyyangonin","","","","","","","","","","","","","","","","","","","","trimethylhispidin","","COC1=C(C=C(C=C1)C=CC2=CC(=CC(=O)O2)OC)OC","GBJRDULCMRSYSL-GQCTYLIASA-N","5458436",NA,"PDBC11148","212503","Present"
-"11-Methyl-1,2,5,6,11,11b-hexahydro-3H-indolizino[8,7-b]indol-3-one","","","","","","","","","","","","","","","","","","","","11-Methyl-1,2,5,6,11,11b-hexahydro-3H-indolizino[8,7-b]indol-3-one","","CN1C2=CC=CC=C2C3=C1C4CCC(=O)N4CC3","MKKDUNSRDKAXAQ-UHFFFAOYSA-N","372332",NA,"PDBC11149","647390","Present"
-"11-Methyl-14-aza-11-azoniatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10-hexaen-15-one;iodide","","","","","","","","","","","","","","","","","","","","11-Methyl-14-aza-11-azoniatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10-hexaen-15-one;iodide","","C[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C(=O)N2CC1.[I-]","VVNGLMLNQCKFKJ-UHFFFAOYSA-M","364083",NA,"PDBC11150","629723","Present"
-"11-Methyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one","","","","","","","","","","","","","","","","","","","","11-Methyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one","","CC1=CC2=C3C(=N1)C4=CC=CC=C4C(=O)C3=NC5=CC=CC=C52","VAWGDTJYTXTRFB-UHFFFAOYSA-N","390073",NA,"PDBC11151","687015","Present"
-"11-Methyl-2-nitronaphtho[2,3-e][1]benzofuran","","","","","","","","","","","","","","","","","","","","11-Methyl-2-nitronaphtho[2,3-e][1]benzofuran","","CC1=C2C(=CC3=CC=CC=C13)C=CC4=C2C=C(O4)[N+](=O)[O-]","GHUHGLBIWSDWGG-UHFFFAOYSA-N","360398",NA,"PDBC11152","622463","Present"
-"11-Methyl-2-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","11-Methyl-2-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=C(C4=O)C5=CC=CC=C5","AEUYMLBXPGCLDR-UHFFFAOYSA-N","375752",NA,"PDBC11153","655899","Present"
-"11-Methyl-4-(2-pyridinyl)-6H-pyrido[1,2-b]isoquinolin-6-one","","","","","","","","","","","","","","","","","","","","11-Methyl-4-(2-pyridinyl)-6H-pyrido[1,2-b]isoquinolin-6-one","","CC1=C2C=CC=C(N2C(=O)C3=CC=CC=C13)C4=CC=CC=N4","ODAFQNKVXSIINS-UHFFFAOYSA-N","374145",NA,"PDBC11154","651602","Present"
-"11-Methyl-5-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","11-Methyl-5-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CN1C2=CC=CC=C2C3=CC(=C4C(=O)C=CC(=O)C4=C31)C5=CC=CC=C5","WLMXMMYUNSNZSZ-UHFFFAOYSA-N","372653",NA,"PDBC11155","648150","Present"
-"11-Methyl-6,7,8,11-tetrahydro-8,9,11-triaza-5H-benzo[a]fluorene-7-one","","","","","","","","","","","","","","","","","","","","17-Methyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one","","CN1C2=C(C3=C1C4=CC=CC=C4CC3)C(=O)NN=C2","RVTSOXLBZPXIKR-UHFFFAOYSA-N","401976",NA,"PDBC11156","715663","Present"
-"11-Methyl-6-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","11-Methyl-6-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CN1C2=CC=CC=C2C3=C1C4=C(C=C3C5=CC=CC=C5)C(=O)C=CC4=O","COGCSINBDKTCRW-UHFFFAOYSA-N","378585",NA,"PDBC11157","661225","Present"
-"11-Methyl-8,11-dihydro-8,9,11-triaza-7H-benzo[a]fluorene-7-one","","","","","","","","","","","","","","","","","","","","17-Methyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one","","CN1C2=C(C3=C1C4=CC=CC=C4C=C3)C(=O)NN=C2","UONMHZZBOZMGFW-UHFFFAOYSA-N","403909",NA,"PDBC11158","719502","Present"
-"11-Methylbenz[a]anthracene","","","","","","","","","","","","","","","","","","","","WLN: L D6 B666J E1","","CC1=C2C=C3C(=CC2=CC=C1)C=CC4=CC=CC=C43","ARHCZXQENFEAFA-UHFFFAOYSA-N","22488",NA,"PDBC11159","409455","Present"
-"11-Methylbenzimidazolo[1,2-b]isoquinoline","","","","","","","","","","","","","","","","","","","","11-Methylbenzimidazo[1,2-b]isoquinoline","","CC1=C2C=CC=CC2=CC3=NC4=CC=CC=C4N13","RPGDRAFLOZLDMO-UHFFFAOYSA-N","379117",NA,"PDBC11160","663331","Present"
-"11-Methylindolo[1,2-b][1,2]benzothiazole 5,5-dioxide","","","","","","","","","","","","","","","","","","","","11-Methylindolo[1,2-b][1,2]benzothiazole 5,5-dioxide","","CC1=C2C3=CC=CC=C3S(=O)(=O)N2C4=CC=CC=C14","PNULHKROQUGLMS-UHFFFAOYSA-N","396902",NA,"PDBC11161","704081","Present"
-"11-Methylpyrido[2,3-b]acridine-5,12-dione","","","","","","","","","","","","","","","","","","","","11-Methylpyrido[2,3-b]acridine-5,12-dione","","CC1=C2C(=NC3=CC=CC=C13)C(=O)C4=C(C2=O)N=CC=C4","PPOGFOSNBVRYBG-UHFFFAOYSA-N","378075",NA,"PDBC11162","659780","Present"
-"11-Methylspiro[1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13,2'-1,3-dioxolane]-2-one","","","","","","","","","","","","","","","","","","","","11-Methylspiro[1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13,2'-1,3-dioxolane]-2-one","","CN1C2=CC=CC=C2C3=C1C4(CC5CCCN(C5)C(=O)C3)OCCO4","VCRBRKFJEQEARX-UHFFFAOYSA-N","393323",NA,"PDBC11163","694988","Present"
-"11-Naphthalen-2-yl-12,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,15-hexaen-11-ol","","","","","","","","","","","","","","","","","","","","11-Naphthalen-2-yl-12,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,15-hexaen-11-ol","","C1CN2C(=N1)C3=C(C2(C4=CC5=CC=CC=C5C=C4)O)C=CC6=CC=CC=C63","AYESQVUVFADUMC-UHFFFAOYSA-N","403508",NA,"PDBC11164","718508","Present"
-"11-Nitro-4,9,13,18-tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),2,8,10,13-pentaene","","","","","","","","","","","","","","","","","","","","11-Nitro-4,9,13,18-tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),2,8,10,13-pentaene","","C1CC2=NC3=C(C4=C(C=C3N2C1)N5CCCC5=N4)[N+](=O)[O-]","ICOXOGBMLFBWQC-UHFFFAOYSA-N","383327",NA,"PDBC11165","671436","Present"
-"11-Nitronoracronycin","","","","","","","","","","","","","","","","","","","","11-Nitronoracronycin","","CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4[N+](=O)[O-])C)O)C","FGHCFTMHOSQNGT-UHFFFAOYSA-N","5387300",NA,"PDBC11166","622482","Present"
-"11-Oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-15-amine","","","","","","","","","","","","","","","","","","","","11-Oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-15-amine","","C1=CC=C2C(=C1)C=CC3=C2C=C4C(=NN=C4O3)N","VDICSHGEICAPMX-UHFFFAOYSA-N","397108",NA,"PDBC11167","704421","Present"
-"11-Oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione","","","","","","","","","","","","","","","","","","","","11-Oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione","","C1=CC=C2C(=C1)C=CC3=C2C=C4C(=CC(=O)NC4=O)O3","PXJYQSVXCUCADW-UHFFFAOYSA-N","399163",NA,"PDBC11168","709582","Present"
-"11-Oxo-5,7,9-triphenyl-2,3,4,5,8,9-hexahydro-1H-cyclopenta[5',6']pyrido[3',4':3,4]pyrrolo[1,2-a][1,3,5]triazine-5a,11a(7H,11H)-dicarbonitrile","","","","","","","","","","","","","","","","","","","","16-Oxo-8,12,14-triphenyl-7,11,13,15-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2(6),10-diene-1,9-dicarbonitrile","","C1CC2=C(C1)NC(C3(C2(C(=O)N4C3=NC(NC4C5=CC=CC=C5)C6=CC=CC=C6)C#N)C#N)C7=CC=CC=C7","XDIUBHDVWYUOJM-UHFFFAOYSA-N","394336",NA,"PDBC11169","697705","Present"
-"11-Oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide","","","","","","","","","","","","","","","","","","","","2-Isopropyl-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-11H-pyrido[2,1-b]quinazoline-8-carboxamide","","CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)NCCN4CCN(CC4)C5=CC=CC=C5","XYYIYKRFSGVWQQ-UHFFFAOYSA-N","353192",NA,"PDBC11170","600684","Present"
-"11-Phenyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","1H-Benzo[a]carbazole-1,4(11H)-dione, 11-phenyl-","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C=CC5=O","DJPKUBKDRCRYKZ-UHFFFAOYSA-N","369537",NA,"PDBC11171","641394","Present"
-"11-Phenyl-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one","","","","","","","","","","","","","","","","","","","","6-(2-hydroxyethyl)-10-phenyl-2,3,7,10-tetrahydro-[1,4]di...","","C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC=CC=C5","CXXCBXYIACNDLN-UHFFFAOYSA-N","50900911",NA,"PDBC11172","750723","Present"
-"11-Phenyl-5,6-dihydrobenzo[b][1]benzophosphepine 11-oxide","","","","","","","","","","","","","","","","","","","","11-Phenyl-5,6-dihydrobenzo[b][1]benzophosphepine 11-oxide","","C1CC2=CC=CC=C2P(=O)(C3=CC=CC=C31)C4=CC=CC=C4","GBBBNSRLICSQNJ-UHFFFAOYSA-N","380782",NA,"PDBC11173","666492","Present"
-"11-Phenyl-9,11,13-triazatricyclo[6.5.2.09,13]pentadec-14-ene-10,12-dione","","","","","","","","","","","","","","","","","","","","11-Phenyl-9,11,13-triazatricyclo[6.5.2.09,13]pentadec-14-ene-10,12-dione","","C1CCCC2C=CC(CC1)N3N2C(=O)N(C3=O)C4=CC=CC=C4","KCCBRKZILJEGQS-UHFFFAOYSA-N","392963",NA,"PDBC11174","694177","Present"
-"11-Propyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","11-Propyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CCCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O","UJDZXYIUJYYTJX-UHFFFAOYSA-N","378582",NA,"PDBC11175","661222","Present"
-"11-Trimethylsilyloxy-1,2,5,10,11,11a-hexahydroindolizino[7,6-b]indol-3-one","","","","","","","","","","","","","","","","","","","","11-Trimethylsilyloxy-1,2,5,10,11,11a-hexahydroindolizino[7,6-b]indol-3-one","","C[Si](C)(C)OC1C2CCC(=O)N2CC3=C1NC4=CC=CC=C34","WZRKREYZTTURKG-UHFFFAOYSA-N","393644",NA,"PDBC11176","695855","Present"
-"11-[(1-Nitro-9-oxo-9,10-dihydro-acridine-4-carbonyl)-amino]-undecanoic acid 5-acetylamino-4-{1-[1-(1-benzyloxycarbonyl-3-carbamoyl-propylcarbamoyl)-2-methyl-propylcarbamoyl]-ethoxy}-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","[5-Acetamido-4-[1-[[1-[(5-amino-1,5-dioxo-1-phenylmethoxypentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]oxy-3-hydroxyoxan-2-yl]methyl 11-[(1-nitro-9-oxo-10H-acridine-4-carbonyl)am","","CC(C)C(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC2C(COC(C2O)COC(=O)CCCCCCCCCCNC(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C(=O)C5=CC=CC=C5N4)NC(=O)C","BYEKHHDEJSWEMQ-UHFFFAOYSA-N","3774228",NA,"PDBC11177","642600","Present"
-"11-[(3-Nitrophenyl)methyl]benzo[a]carbazole-1,4-dione","","","","","","","","","","","","","","","","","","","","11-[(3-Nitrophenyl)methyl]benzo[a]carbazole-1,4-dione","","C1=CC=C2C(=C1)C3=C(N2CC4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O","KDHBQQPXHFVUSW-UHFFFAOYSA-N","376314",NA,"PDBC11178","657028","Present"
-"11-[(4-Nitrophenyl)methyl]benzo[a]carbazole-1,4-dione","","","","","","","","","","","","","","","","","","","","11H-Benzo[a]carbazole-1,4-dione, 11-[(4-nitrophenyl) met...","","C1=CC=C2C(=C1)C3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O","NFFMOEIJKKYUAA-UHFFFAOYSA-N","376313",NA,"PDBC11179","657027","Present"
-"11-[(5E,7E,13E,19E,25S,29S)-29-Hydroxy-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododecanoic acid","","","","","","","","","","","","","","","","","","","","10,26-Dioxabicyclo[23.3.1]nonacosa- 5,7,13,19,28-pentaen...","","CC1C=CC(CC(C(C2C(C(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CCC(=O)O)OC)OC)C)OC)O)C)OC)OC","BTCBWTQHGCKHEF-KWPBQSASSA-N","5470863",NA,"PDBC11180","705973","Present"
-"11-[(9-Oxo-9,10-dihydro-acridine-4-carbonyl)-amino]-undecanoic acid 5-acetylamino-6-benzyloxy-4-{1-[1-(1,3-dicarbamoyl-propylcarbamoyl)-ethylcarbamoyl]-ethoxy}-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","[5-Acetamido-4-[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-3-hydroxy-6-phenylmethoxyoxan-2-yl]methyl 11-[(9-oxo-10H-acridine-4-carbonyl)amino]undecano","","CC(C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(C)OC1C(C(OC(C1O)COC(=O)CCCCCCCCCCNC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O)OCC5=CC=CC=C5)NC(=O)C","SDHRTXAGAGFCNV-UHFFFAOYSA-N","370038",NA,"PDBC11181","642601","Present"
-"11-[(E)-2-Phenylethenyl]-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one","","","","","","","","","","","","","","","","","","","","11-[(E)-2-Phenylethenyl]-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one","","C1=CC=C(C=C1)C=CC2=CC3=C4C(=N2)C5=CC=CC=C5C(=O)C4=NC6=CC=CC=C63","XYUNDISHDLGFBM-CCEZHUSRSA-N","5469360",NA,"PDBC11182","687016","Present"
-"11-[12-(1,4-Dioxobenzo[a]carbazol-11-yl)dodecyl]benzo[a]carbazole-1,4-dione","","","","","","","","","","","","","","","","","","","","11-[12-(1,4-Dioxobenzo[a]carbazol-11-yl)dodecyl]benzo[a]carbazole-1,4-dione","","C1=CC=C2C(=C1)C3=C(N2CCCCCCCCCCCCN4C5=CC=CC=C5C6=C4C7=C(C=C6)C(=O)C=CC7=O)C8=C(C=C3)C(=O)C=CC8=O","CYXGDDYVRJVDBH-UHFFFAOYSA-N","381746",NA,"PDBC11183","668606","Present"
-"11-[2'(R),6-Dihydro-2,3-dimethoxy-6-m ethyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","11-[2'(R),6'-Diaminohexylidene-5,6-dihydro-2,3-dimethoxy...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CC(CCCCN)N)C4=CC5=C(C=C42)OCO5","WTPOEZTUCYCZOW-MEFZMRIGSA-N","45027876",NA,"PDBC11184","730436","Present"
-"11-[2'(S),6-Dihydro-5-keto-2,3-dimet hoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoli ne","","","","","","","","","","","","","","","","","","","","11-[2'(S),6'-Diaminohexylidene]-5,6-dihydro-5-keto-2,3-d...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CC(CCCCN)N)C4=CC5=C(C=C42)OCO5","WTPOEZTUCYCZOW-BRSWLGOBSA-N","11305794",NA,"PDBC11185","726764","Present"
-"11-[2',6-Dihydro-2,3-dimethoxy-6-me thyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","11-[2',3'-Diaminopropylidene]-5,6-dihydro-2,3-dimethoxy-...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CC(CN)N)C4=CC5=C(C=C42)OCO5","PZXDFXMKTBLJRU-YIXHJXPBSA-N","45027846",NA,"PDBC11186","727722","Present"
-"11-[2'-N-Aminopropyl)-aminoethylidene]-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline","","","","","","","","","","","","","","","","","","","","11-[2'-N-Aminopropyl)-aminoethylidene]-5,6-dihydro-5-oxo...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCNCCCN)C4=CC5=C(C=C42)OCO5","RSMFWFVTQGYMOK-LHHJGKSTSA-N","45027836",NA,"PDBC11187","727212","Present"
-"11-[2-(1-Piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole","","","","","","","","","","","","","","","","","","","","11-[2-(1-Piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole","","C1CCN(CC1)CCN2C3=CC=CC=C3C4=C2C5=CC=CC=C5CC4","BFMLLEPJKURZQZ-UHFFFAOYSA-N","390893",NA,"PDBC11188","689068","Present"
-"11-[2-(4-Bromophenyl)-2-oxoethyl]-4,5-dihydroxy-3,4,5-trimethyl-2,6-dioxo-3,4,5,6,8,10,12,13,13a,13b-decahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizin-11-ium bromide","","","","","","","","","","","","","","","","","","","","13-[2-(4-Bromophenyl)-2-oxoethyl]-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione;bromide","","CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)CC(=O)C4=CC=C(C=C4)Br.[Br-]","QMDFVDIICAGQBF-UHFFFAOYSA-M","24196146",NA,"PDBC11189","211502","Present"
-"11-[2-(Diethylamino)ethyl]-1,6-diazanaphthacene-5,12-dione","","","","","","","","","","","","","","","","","","","","11-[2-(Diethylamino)ethyl]-1,6-diazanaphthacene-5,12-dione","","CCN(CC)CCC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4","OPVSYLBSDGXWKB-UHFFFAOYSA-N","388736",NA,"PDBC11190","683790","Present"
-"11-[2-(Dimethylamino)propyl]-5,6-dihydrobenzo[a]carbazole-2,8-diol","","","","","","","","","","","","","","","","","","","","N-(2-propyl-dimethylamino)-2,8-dihydroxy-5,6-dihydrobenz...","","CC(CN1C2=C(C=C(C=C2)O)C3=C1C4=C(CC3)C=CC(=C4)O)N(C)C","ZLSAVKHKNQLRMA-UHFFFAOYSA-N","392568",NA,"PDBC11191","693113","Present"
-"11-[2-(Dimethylamino)vinyl]-1,6-diazanaphthacene-5,12-dione","","","","","","","","","","","","","","","","","","","","Quino[6,7-b]quinolin-5,12-dione, 11-[2-(dimethylamino) e...","","CN(C)C=CC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4","QMIOVDKIZOSESD-PKNBQFBNSA-N","5468977",NA,"PDBC11192","680733","Present"
-"11-[2-[4-[4-(Dimethylamino)butyl]-1-piperidyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one","","","","","","","","","","","","","","","","","","","","11-[2-[4-[4-(Dimethylamino)butyl]-1-piperidyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one","","CN(C)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42","JZENZHJOXSUJPP-UHFFFAOYSA-N","372624",NA,"PDBC11193","648063","Present"
-"11-[3'-(9H-Fluorenylmethoxycarbonyl)aminopropylidene]-5,3-dimethoxy-6[3'-(9H-fluorenylmethoxycarbonyl)aminop ropyl]-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinolin e","","","","","","","","","","","","","","","","","","","","11-[3'-(9H-Fluorenylmethoxycarbonyl)aminopropylidene]-5,...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=CCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)OCO5)N(C2=O)CCCNC(=O)OCC9C1=CC=CC=C1C1=CC=CC=C91)OC","WHPRIMHEVMQLGA-VQWGYEAZSA-N","11366495",NA,"PDBC11194","729636","Present"
-"11-[4-(4-Methoxybenzoyl)phenyl]benzo[a]carbazole-1,4-dione","","","","","","","","","","","","","","","","","","","","11-[4-(4-Methoxybenzoyl)phenyl]benzo[a]carbazole-1,4-dione","","COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C(=O)C=CC6=O","MMZJFQHTOSWBHM-UHFFFAOYSA-N","397019",NA,"PDBC11195","704282","Present"
-"11-[4-(8,10-Dioxaspiro[5.5]undec-3-en-9-yl)phenoxy]undecan-1-ol","","","","","","","","","","","","","","","","","","","","11-[4-(8,10-Dioxaspiro[5.5]undec-3-en-9-yl)phenoxy]undecan-1-ol","","C1CC2(CC=C1)COC(OC2)C3=CC=C(C=C3)OCCCCCCCCCCCO","LAEQHLZIZODUQI-UHFFFAOYSA-N","393133",NA,"PDBC11196","694535","Present"
-"11-[4-[(E)-[(2,4-Dinitrophenyl)hydrazono]methyl]phenoxy]undecan-1-ol","","","","","","","","","","","","","","","","","","","","11-[4-[(E)-[(2,4-Dinitrophenyl)hydrazono]methyl]phenoxy]undecan-1-ol","","C1=CC(=CC=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OCCCCCCCCCCCO","VQZGAGKEIIVWIV-NCELDCMTSA-N","9556330",NA,"PDBC11197","694536","Present"
-"11-[4-[9-[4-(11-Hydroxyundecoxy)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]phenoxy]undecan-1-ol","","","","","","","","","","","","","","","","","","","","11-[4-[9-[4-(11-Hydroxyundecoxy)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]phenoxy]undecan-1-ol","","C1C2(COC(O1)C3=CC=C(C=C3)OCCCCCCCCCCCO)COC(OC2)C4=CC=C(C=C4)OCCCCCCCCCCCO","GICCDTHXEQHVGS-UHFFFAOYSA-N","393132",NA,"PDBC11198","694534","Present"
-"11-[5-(1,4-Dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione","","","","","","","","","","","","","","","","","","","","11-[5-(1,4-Dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione","","C1=CC=C2C(=C1)C3=C(N2CCCCCN4C5=CC=CC=C5C6=C4C7=C(C=C6)C(=O)C=CC7=O)C8=C(C=C3)C(=O)C=CC8=O","AEIOLBCDIXOOIA-UHFFFAOYSA-N","381745",NA,"PDBC11199","668605","Present"
-"11-[8-(1,4-Dioxobenzo[a]carbazol-11-yl)octyl]benzo[a]carbazole-1,4-dione","","","","","","","","","","","","","","","","","","","","11-[8-(1,4-Dioxobenzo[a]carbazol-11-yl)octyl]benzo[a]carbazole-1,4-dione","","C1=CC=C2C(=C1)C3=C(N2CCCCCCCCN4C5=CC=CC=C5C6=C4C7=C(C=C6)C(=O)C=CC7=O)C8=C(C=C3)C(=O)C=CC8=O","VQMDPDYUINQHQO-UHFFFAOYSA-N","379251",NA,"PDBC11200","663665","Present"
-"11-beta-hydroxy-pristamerin","","","","","","","","","","","","","","","","","","","","11-beta-hydroxy-pristamerin","","CC1=C(C(=O)C=C2C1=CC=C3C2(C(CC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)O)C)O","MRLNWXSZJIGUHQ-WEFIJOBTSA-N","155813885",NA,"PDBC11201","797253","Present"
-"11-bromopaullone","","","","","","","","","","","","","","","","","","","","11-bromopaullone","","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=CC=C4Br","YKGKBQYSHBGZQB-UHFFFAOYSA-N","384146",NA,"PDBC11202","673433","Present"
-"11-chloropaullone","","","","","","","","","","","","","","","","","","","","11-chloropaullone","","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=CC=C4Cl","YMOAQWGMJDGOCD-UHFFFAOYSA-N","383786",NA,"PDBC11203","672233","Present"
-"11-ethylpaullone","","","","","","","","","","","","","","","","","","","","11-ethylpaullone","","CCC1=C2C(=CC=C1)C3=C(N2)C4=CC=CC=C4NC(=O)C3","LOOYKDRIOSVHMM-UHFFFAOYSA-N","397719",NA,"PDBC11204","706122","Present"
-"11-methylpaullone","","","","","","","","","","","","","","","","","","","","11-methylpaullone","","CC1=C2C(=CC=C1)C3=C(N2)C4=CC=CC=C4NC(=O)C3","XWKMAJPZELTMLH-UHFFFAOYSA-N","397718",NA,"PDBC11205","706120","Present"
-"11H-Benzo[4,5]imidazo[2,1-a]isoindole hydrochlori","","","","","","","","","","","","","","","","","","","","F0013-0823","","C1C2=CC=CC=C2C3=NC4=CC=CC=C4N31.Cl","HPXOLVTZGVSYLP-UHFFFAOYSA-N","45023740",NA,"PDBC11206","163482","Present"
-"11H-Benzo[a]carbazole-1,4-dione, 7,11-dimethyl-","","","","","","","","","","","","","","","","","","","","11H-Benzo[a]carbazole-1,4-dione, 7,11-dimethyl-","","CC1=C2C3=C(C4=C(C=C3)C(=O)C=CC4=O)N(C2=CC=C1)C","HYPOPXGVJOVIPH-UHFFFAOYSA-N","371271",NA,"PDBC11207","645330","Present"
-"11H-Benzo[g]pyrido[4, 7-[[3-diethylamino) propyl]amino]-10,11-dimethyl-","","","","","","","","","","","","","","","","","","","","11H-Benzo[g]pyrido[4,3-b]indol-4-ol, 7-[[3-diethylamino)...","","CCN(CC)CCCNC1=NC=C(C2=C1C3=C(N2C)C4=C(C=C3)C(=CC=C4)O)C","ZGFDERDLOYHFHS-UHFFFAOYSA-N","374898",NA,"PDBC11208","653438","Present"
-"11H-Indeno[1,2,3-dimethoxy-8,9-(methylenedioxy)-6-propyl-, chloride","","","","","","","","","","","","","","","","","","","","12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium,2,3-dim...","","CCC[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C3)OCO5)OC)OC.[Cl-]","IVCYJZKACORNAK-UHFFFAOYSA-M","11811448",NA,"PDBC11209","701812","Present"
-"11H-Indolo[1, 11-[[4-(dimethylamino)phenyl]methylene]-6-methyl-, trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","11H-Indolo[1,2-b]indazolium, 11-[[4-(dimethylamino)pheny...","","C[N+]1=C2C=CC=CC2=C3N1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]","OTIGWHFQHFVTPR-UHFFFAOYSA-M","5471987",NA,"PDBC11210","715775","Present"
-"11H-Indolo[3,2-c]quinolin-6-amine","","","","","","","","","","","","","","","","","","","","11H-Indolo[3,2-c]quinolin-6-amine","","C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3N","BNYAERZPIWGQMM-UHFFFAOYSA-N","2794531",NA,"PDBC11211","736605","Present"
-"11H-Indolo[3,2-c]quinolin-9-amine, 3-chloro-N,N-diethyl-8-methoxy-","","","","","","","","","","","","","","","","","","","","1h-indolo[3,2-c]quinoline-9-methanamine, 3-chloro-n,n-di...","","CCN(CC)CC1=CC2=C(C=C1OC)C3=CN=C4C=C(C=CC4=C3N2)Cl","LLEAEDYSPVHUEP-UHFFFAOYSA-N","330267",NA,"PDBC11212","317605","Present"
-"11T-0286","","","","","","","","","","","","","","","","","","","","11T-0286","","C1=CC(=C(C=C1C(F)(F)F)NC(=O)CC(=NO)N)Cl","DGJDIMMILZECQC-UHFFFAOYSA-N","9555638",NA,"PDBC11213","379536","Present"
-"11T-0858","","","","","","","","","","","","","","","","","","","","11T-0858","","CC1=CC=C(C=C1)N2C(=NNC2=O)C","SLSVSWZAJBJHTQ-UHFFFAOYSA-N","390138",NA,"PDBC11214","687206","Present"
-"11a-(3-Butenyl)-9,10,11,11a-tetrahydronaphtho[2,1-b][1]benzothiophen-8(7aH)-one","","","","","","","","","","","","","","","","","","","","11a-But-3-enyl-7a,9,10,11-tetrahydronaphtho[2,1-b]benzothiophen-8-one","","C=CCCC12CCCC(=O)C1SC3=C2C4=CC=CC=C4C=C3","OOHNHCSMMCSWHD-UHFFFAOYSA-N","365374",NA,"PDBC11215","632974","Present"
-"11a-Phenyl-4a-(1-pyrrolidinyl)-2,3,4,4a,11a,11b-hexahydroindolo[1,2-b][1,2]benzisoxazol-11(1H)-one","","","","","","","","","","","","","","","","","","","","11a-Phenyl-4a-(1-pyrrolidinyl)-2,3,4,4a,11a,11b-hexahydroindolo[1,2-b][1,2]benzisoxazol-11(1H)-one","","C1CCC2(C(C1)C3(C(=O)C4=CC=CC=C4N3O2)C5=CC=CC=C5)N6CCCC6","RHTNTPVCOFBZJY-UHFFFAOYSA-N","374526",NA,"PDBC11216","652277","Present"
-"11a-Phenylindolo[1,2-b][1,2]benzoxazol-11-one","","","","","","","","","","","","","","","","","","","","11a-Phenylindolo[1,2-b][1,2]benzisoxazol-11(11aH)-one","","C1=CC=C(C=C1)C23C4=CC=CC=C4ON2C5=CC=CC=C5C3=O","FUGKYMYCUMHZTO-UHFFFAOYSA-N","374517",NA,"PDBC11217","652268","Present"
-"11beta-Hydroxy estradiol-11-nitrate-3-acetate","","","","","","","","","","","","","","","","","","","","11.beta.-hydroxy estradiol-11-nitrate-3-acetate","","CC(=O)OC1=CC2=C(C=C1)C3C(CC2)C4CCC(C4(CC3O[N+](=O)[O-])C)O","UPINFWLBXPICIJ-SZMDNOMZSA-N","380839",NA,"PDBC11218","666569","Present"
-"12,12-Dibutyl-11,13-dioxa-16-aza-12-stannatricyclo[8.7.0.02,7]heptadeca-1(10),2,4,6,8,16-hexaen-14-one","","","","","","","","","","","","","","","","","","","","12,12-Dibutyl-11,13-dioxa-16-aza-12-stannatricyclo[8.7.0.02,7]heptadeca-1(10),2,4,6,8,16-hexaen-14-one","","CCCC[Sn]1(OC(=O)CN=CC2=C(O1)C=CC3=CC=CC=C32)CCCC","GEIKTAYVJULEOV-UHFFFAOYSA-L","16683553",NA,"PDBC11219","630250","Present"
-"12,12-Dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dithione","","","","","","","","","","","","","","","","","","","","12,12-Dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dithione","","CC1(CC2=C(CS1)SC3=C2C(=S)NC(=S)N3)C","PRLMXOWWQWIDGS-UHFFFAOYSA-N","5220643",NA,"PDBC11220","719387","Present"
-"12,13-Bis-epi-Eupalmerin","","","","","","","","","","","","","","","","","","","","12,13-bis-epi-Eupalmerin","","CC1CCCC(=CCCC2(C(O2)CC3C(C1O)OC(=O)C3=C)C)C","SCMBIOHRSHWIJT-QBFCQSESSA-N","5469941",NA,"PDBC11221","694509","Present"
-"12,13-Bisepieupalmerin epoxide","","","","","","","","","","","","","","","","","","","","12,13-Bisepieupalmerin epoxide","","CC1CCCC2(C(O2)CCC3(C(O3)CC4C(C1O)OC(=O)C4=C)C)C","MEBDSCKFTYQUGG-UTXHDVTHSA-N","390113",NA,"PDBC11222","687104","Present"
-"12,13-Bisepieupalmerolide","","","","","","","","","","","","","","","","","","","","12,13-bisepieupalmerolide","","CC1CCCC(=CCCC(C2CC3C(C1OC(=O)C3=C)O2)(C)O)C","RDFQYGQCGXTVIC-XFZUAIFLSA-N","5471805",NA,"PDBC11223","713797","Present"
-"12,13-Bispieupalmeroic acid","","","","","","","","","","","","","","","","","","","","NSC690975///12,13-bispieupalmeroic acid","","CC1CCCC(=CCCC(C2CC(C(C1O)O2)C(=C)C(=O)O)(C)O)C","ABTAQJSUUVNLJO-XFZUAIFLSA-N","5469633",NA,"PDBC11224","690975///713796","Present"
-"12,13-Dibromo-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6-trien-15-ol","","","","","","","","","","","","","","","","","","","","12,13-Dibromo-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6-trien-15-ol","","COC1C(C2C3C(C1Br)(CCN3CC4=CC(=C(C=C24)OC)OC)Br)O","BDRBXJGFHDFRJV-UHFFFAOYSA-N","397684",NA,"PDBC11225","706045","Present"
-"12,15-Dimethyl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene","","","","","","","","","","","","","","","","","","","","1,4-Dimethylnaphtho[2',3':4,5]imidazo[1,2-a]pyridine","","CC1=CC=C(N2C1=NC3=CC4=CC=CC=C4C=C32)C","WUJTZRCVOLEEPS-UHFFFAOYSA-N","378349",NA,"PDBC11226","660431","Present"
-"12,17-Dimethyl-2,9,13,15,16,18-hexazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3,5,7,12,14,16-heptaen-10-one","","","","","","","","","","","","","","","","","","","","12,17-Dimethyl-2,9,13,15,16,18-hexazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3,5,7,12,14,16-heptaen-10-one","","CC1=NC2=NN=C(N2C3=C1C(=O)NC4=CC=CC=C4N3)C","OUCHTNSZOVLJMZ-UHFFFAOYSA-N","375422",NA,"PDBC11227","655142","Present"
-"12,20-Dioxa-1,4,28,31,36-pentazapentacyclo[29.2.2.114,18.06,11.021,26]hexatriaconta-4,6,8,10,14(36),15,17,21,23,25,27-undecaene","","","","","","","","","","","","","","","","","","","","12,20-Dioxa-1,4,28,31,36-pentazapentacyclo[29.2.2.114,18.06,11.021,26]hexatriaconta-4,6,8,10,14(36),15,17,21,23,25,27-undecaene","","C1CN2CCN(CCN=CC3=CC=CC=C3OCC4=CC=CC(=N4)COC5=CC=CC=C5C=N1)CC2","OLMRENGDWLYZHI-UHFFFAOYSA-N","403699",NA,"PDBC11228","718890","Present"
-"12,20-Dioxa-6,26,34-triazahexacyclo[25.2.2.22,5.28,11.221,24.114,18]octatriaconta-1(30),2(38),3,5(37),6,8,10,14(34),15,17,21(33),22,24(32),25,27(31),28,35-heptadecaene","","","","","","","","","","","","","","","","","","","","12,20-Dioxa-6,26,34-triazahexacyclo[25.2.2.22,5.28,11.221,24.114,18]octatriaconta-1(30),2(38),3,5(37),6,8,10,14(34),15,17,21(33),22,24(32),25,27(31),28,35-heptadecaene","","C1C2=NC(=CC=C2)COC3=CC=C(C=C3)C=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=CC6=CC=C(O1)C=C6","LWEGGDYMKPYOLD-UHFFFAOYSA-N","393564",NA,"PDBC11229","695634","Present"
-"12,24-Dimethoxy-14,22-dioxa-3,8,28-triazapentacyclo[21.2.2.24,7.210,13.116,20]dotriaconta-1(25),2,4,6,8,10,12,16,18,20(28),23,26,29,31-tetradecaene","","","","","","","","","","","","","","","","","","","","12,24-Dimethoxy-14,22-dioxa-3,8,28-triazapentacyclo[21.2.2.24,7.210,13.116,20]dotriaconta-1(25),2,4,6,8,10,12,16,18,20(28),23,26,29,31-tetradecaene","","COC1=C2C=CC(=C1)C=NC3=CC=C(C=C3)N=CC4=CC(=C(C=C4)OCC5=CC=CC(=N5)CO2)OC","RITCACLOVMJMMW-UHFFFAOYSA-N","388226",NA,"PDBC11230","682819","Present"
-"12,29-Dimethoxy-2,10-dioxa-16,19,22,25,34-pentazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(29),4(34),5,7,11,13,15,25,27,30,32-undecaene","","","","","","","","","","","","","","","","","","","","12,29-Dimethoxy-2,10-dioxa-16,19,22,25,34-pentazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(29),4(34),5,7,11,13,15,25,27,30,32-undecaene","","COC1=C2C=CC(=C1)C=NCCNCCNCCN=CC3=CC(=C(C=C3)OCC4=CC=CC(=N4)CO2)OC","XMEUERRTPNIWEK-UHFFFAOYSA-N","388225",NA,"PDBC11231","682818","Present"
-"12,29-Dinitro-2,10-dioxa-16,25,34-triazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(29),4(34),5,7,11,13,15,25,27,30,32-undecaene","","","","","","","","","","","","","","","","","","","","12,29-Dinitro-2,10-dioxa-16,25,34-triazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(29),4(34),5,7,11,13,15,25,27,30,32-undecaene","","C1CCCCN=CC2=CC(=C(C=C2)OCC3=CC=CC(=N3)COC4=C(C=C(C=C4)C=NCCC1)[N+](=O)[O-])[N+](=O)[O-]","IWIFMCOZNOOFIW-UHFFFAOYSA-N","395246",NA,"PDBC11232","699722","Present"
-"12,5)Thiophenophane S-oxide","","","","","","","","","","","","","","","","","","","","12,13-Dibenzylmetacyclo[2](2,5)thiophenophane S-oxide","","C1CC2=C(C(=C(S2=O)CCC3=CC=CC1=C3)CC4=CC=CC=C4)CC5=CC=CC=C5","AVHBNWRRHBJQSI-UHFFFAOYSA-N","401431",NA,"PDBC11233","715091","Present"
-"12-((11-(4-(2-(4-Oxo-2,5-cyclohexadien-1-ylidene)ethylidene)-1(4H)-pyridinyl)undecanoyl)amino)-N-pentyldodecanamide","","","","","","","","","","","","","","","","","","","","12-[11-[4-[2-(4-Oxocyclohexa-2,5-dien-1-ylidene)ethylidene]pyridin-1-yl]undecanoylamino]-N-pentyldodecanamide","","CCCCCNC(=O)CCCCCCCCCCCNC(=O)CCCCCCCCCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1","AMPDXALGYOGJLP-UHFFFAOYSA-N","362343",NA,"PDBC11234","626016","Present"
-"12-((4-Methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine","","","","","","","","","","","","","","","","","","","","12-((4-Methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine","","CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC5=CC=CC=C5C=C42","JHWISLMTUJNEQP-UHFFFAOYSA-N","272209",NA,"PDBC11235","116491","Present"
-"12-((4-Methyl-1-piperidinyl)acetyl)-12H-benzo[b]phenothiazine","","","","","","","","","","","","","","","","","","","","12-((4-Methyl-1-piperidinyl)acetyl)-12H-benzo[b]phenothiazine","","CC1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC5=CC=CC=C5C=C42","AVLRLJQSDAFPBD-UHFFFAOYSA-N","272208",NA,"PDBC11236","116490","Present"
-"12-((4-Methylphenyl)sulfonyl)-3-(phenylsulfonyl)-6,7,12,12b-tetrahydroindolo[2,3-a]quinolizin-4(1H)-one","","","","","","","","","","","","","","","","","","","","3-(Benzenesulfonyl)-12-(p-tolylsulfonyl)-1,6,7,12b-tetrahydroindolo[2,3-a]quinolizin-4-one","","CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C5CC=C(C(=O)N5CC4)S(=O)(=O)C6=CC=CC=C6","UYWQHCWSXJQJNB-UHFFFAOYSA-N","380393",NA,"PDBC11237","665910","Present"
-"12-((4-Methylphenyl)sulfonyl)-4b,5,6,11,11b,12-hexahydroindolo[2,3-a]carbazole","","","","","","","","","","","","","","","","","","","","12-((4-Methylphenyl)sulfonyl)-4b,5,6,11,11b,12-hexahydroindolo[2,3-a]carbazole","","CC1=CC=C(C=C1)S(=O)(=O)N2C3C(CCC4=C3NC5=CC=CC=C45)C6=CC=CC=C62","ACCIDPZVPHFIQC-BWKNWUBXSA-N","392233",NA,"PDBC11238","692365","Present"
-"12-(2'-Aminoethylidene)-5,11-diketo-2,3-dimethox y-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","12-(2'-Aminoethylidene)-5,6-dihydro-5,11-diketo-2,3-dime...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCN)C4=CC5=C(C=C42)OCO5","XDEBOWRGDIIBAU-NYYWCZLTSA-N","11452147",NA,"PDBC11239","725665","Present"
-"12-(2-Aminoethylamino)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","12-(2-Aminoethylamino)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one;2,2,2-trifluoroacetic acid","","C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)NCCN.C(=O)(C(F)(F)F)O","HPWOKHWHRKMOHQ-UHFFFAOYSA-N","46854489",NA,"PDBC11240","723392","Present"
-"12-(2-Methoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one","","CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC=CC=C5OC)C(=O)OC2)C","ISGGFCIFHRBYMB-UHFFFAOYSA-N","382071",NA,"PDBC11241","669385","Present"
-"12-(3,4,5-Trimethoxyphenyl)-7a,8,9,12-tetrahydronaphtho[1,2-f]indolizine-7,10-dione","","","","","","","","","","","","","","","","","","","","12-(3,4,5-Trimethoxyphenyl)-7a,8,9,12-tetrahydronaphtho[1,2-f]indolizine-7,10-dione","","COC1=CC(=CC(=C1OC)OC)C2C3=C(C=CC4=CC=CC=C43)C(=O)C5N2C(=O)CC5","IICTUDOZPQPQOD-UHFFFAOYSA-N","393637",NA,"PDBC11242","695848","Present"
-"12-(3,4-Dimethoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one","","CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC(=C(C=C5)OC)OC)C(=O)OC2)C","WNZZXGIUKOASEY-UHFFFAOYSA-N","382069",NA,"PDBC11243","669383","Present"
-"12-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione","","","","","","","","","","","","","","","","","","","","1,4,7,10,13,16-Hexaoxacyclooctadecane-2,9-dione, 12-[4-h...","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2COC(=O)COCCOCC(=O)OCCOCCO2","NEUCTMQXHTUDCQ-UHFFFAOYSA-N","386885",NA,"PDBC11244","679743","Present"
-"12-(4'-Phthalimidobutylidene)-5,11-diketo-2,3-di methoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquin oline","","","","","","","","","","","","","","","","","","","","12-(4'-Phthalimidobutylidene)-5,6-dihydro-5,11-diketo-2,...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC7=C(C=C62)OCO7","IULDOFGWGVRABT-CAOOACKPSA-N","45027827",NA,"PDBC11245","726112","Present"
-"12-(4'-Phthalylaminopentylidene)-5,11-diketo-2,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline","","","","","","","","","","","","","","","","","","","","12-(4'-Phthalylaminopentylidene)-5,6-dihydro-5,11-diketo...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC7=C(C=C62)OCO7","JCNVTOQNUMCVTI-GIJQJNRQSA-N","45027829",NA,"PDBC11246","726510","Present"
-"12-(4-Chlorophenyl)-10H-isoindolo[1,2-b]quinazolin-12-ol","","","","","","","","","","","","","","","","","","","","Isoindolo[1,2-b]quinazolin-12-ol, 12-(4-chlorophenyl)-10...","","C1C2=CC=CC=C2N=C3N1C(C4=CC=CC=C43)(C5=CC=C(C=C5)Cl)O","VETUKMSKEWYIOQ-UHFFFAOYSA-N","395630",NA,"PDBC11247","700414","Present"
-"12-(4-Hydroxy-3,5-dimethoxy-phenyl)-7a,8,9,12-tetrahydronaphtho[1,2-f]indolizine-7,10-dione","","","","","","","","","","","","","","","","","","","","12-(4-Hydroxy-3,5-dimethoxy-phenyl)-7a,8,9,12-tetrahydronaphtho[1,2-f]indolizine-7,10-dione","","COC1=CC(=CC(=C1O)OC)C2C3=C(C=CC4=CC=CC=C43)C(=O)C5N2C(=O)CC5","PWASRHCIRUXQDB-UHFFFAOYSA-N","393640",NA,"PDBC11248","695851","Present"
-"12-(4-Hydroxy-3,5-dimethoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one","","","","","","","","","","","","","","","","","","","","2-(4-Hydroxy-3,5-dimethoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one","","CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC(=C(C(=C5)OC)O)OC)C(=O)OC2)C","RATAWNZIHFKITP-UHFFFAOYSA-N","382068",NA,"PDBC11249","669382","Present"
-"12-(4-Methoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one","","CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC=C(C=C5)OC)C(=O)OC2)C","DZUFSKZKHQBCJI-UHFFFAOYSA-N","382070",NA,"PDBC11250","669384","Present"
-"12-(4-Methylphenyl)sulfonyl-2,9,14,21-tetrazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaen-11-amine","","","","","","","","","","","","","","","","","","","","12-(4-Methylphenyl)sulfonyl-2,9,14,21-tetrazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaen-11-amine","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=NC4=CC=CC=C4N3C5=NC6=CC=CC=C6N=C25)N","XVENTCJALKLFPV-UHFFFAOYSA-N","372781",NA,"PDBC11251","648405","Present"
-"12-Acetyl-5-(4-methylphenoxy)-12H-benzo[f]indolo[3,2-b][1,8]naphthyridine","","","","","","","","","","","","","","","","","","","","1-[20-(4-Methylphenoxy)-2,10,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl]ethanone","","CC1=CC=C(C=C1)OC2=NC3=NC4=C(C=C3C5=CC=CC=C52)N(C6=CC=CC=C64)C(=O)C","RPRQZWRFCSOCFL-UHFFFAOYSA-N","372778",NA,"PDBC11252","648402","Present"
-"12-Amino-20(S)-camptothecin","","","","","","","","","","","","","","","","","","","","12-Amino-20(S)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C(=C4)C=CC=C5N)O","QPUDSTGASYNWEO-FQEVSTJZSA-N","151793",NA,"PDBC11253","603073","Present"
-"12-Azadispiro[4.1.4^{7}.2^{5}]tridecane-6,13-dione","","","","","","","","","","","","","","","","","","","","12-Azadispiro[4.1.4^{7}.2^{5}]tridecane-6,13-dione","","C1CCC2(C1)C(=O)C3(CCCC3)NC2=O","IERPSUGSQOVMFD-UHFFFAOYSA-N","363345",NA,"PDBC11254","628201","Present"
-"12-Azido-10-(hydroxymethyl)-6-methyl-8,11-dioxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione","","","","","","","","","","","","","","","","","","","","12-Azido-10-(hydroxymethyl)-6-methyl-8,11-dioxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione","","CC1=C2N(C3C(C(O2)C(O3)CO)N=[N+]=[N-])C(=O)NC1=O","RMQQJDKJQOKTQA-UHFFFAOYSA-N","495449",NA,"PDBC11255","655361","Present"
-"12-Benzyl-11-methyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene","","","","","","","","","","","","","","","","","","","","12-Benzyl-11-methyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene","","CC1=C(C2=C(N1)N=CN3C2=NC=N3)CC4=CC=CC=C4","JBZVGCLWNMJBIV-UHFFFAOYSA-N","135426660",NA,"PDBC11256","706034","Present"
-"12-Benzyl-11-methyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-4-thione","","","","","","","","","","","","","","","","","","","","12-Benzyl-11-methyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-4-thione","","CC1=C(C2=C(N1)N=CN3C2=NC(=S)N3)CC4=CC=CC=C4","UAMXYSDRMYPOED-UHFFFAOYSA-N","5470887",NA,"PDBC11257","706033","Present"
-"12-Benzyl-11-methyl-4-(trichloromethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene","","","","","","","","","","","","","","","","","","","","12-Benzyl-11-methyl-4-(trichloromethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene","","CC1=C(C2=C(N1)N=CN3C2=NC(=N3)C(Cl)(Cl)Cl)CC4=CC=CC=C4","IFRXYRABUJZGIX-UHFFFAOYSA-N","135426661",NA,"PDBC11258","706036","Present"
-"12-Benzyl-5,1':4,5]pyrrolo[3,2-c]chinolin-6,7-dione","","","","","","","","","","","","","","","","","","","","12-Benzyl-5,12-dihydro-indeno[2',1':4,5]pyrrolo[3,2-c]ch...","","C1=CC=C(C=C1)CN2C3=C(C4=C2C5=CC=CC=C5NC4=O)C(=O)C6=CC=CC=C63","BZYMYCPIFFKUTM-UHFFFAOYSA-N","45028165",NA,"PDBC11259","741338","Present"
-"12-Benzyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione","","","","","","","","","","","","","","","","","","","","12-Benzyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione","","C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O","XNYJGKHSDWJGMA-UHFFFAOYSA-N","361387",NA,"PDBC11260","624411","Present"
-"12-Benzyl-6-(2-dimethylamino-ethylamino)-12H-indeno[2',5]pyrrolo[3,2-c]chinolin-7-one","","","","","","","","","","","","","","","","","","","","12-Benzyl-6-(2-dimethylamino-ethylamino)-12H-indeno[2',1...","","CN(C)CCNC1=NC2=CC=CC=C2C3=C1C4=C(N3CC5=CC=CC=C5)C6=CC=CC=C6C4=O","FJOKFCKWUBMOJB-UHFFFAOYSA-N","45028166",NA,"PDBC11261","741339","Present"
-"12-Benzyl-6-(3-hydroxy-propylamino)-12H-indeno[2',5-pyrrolo[3,2-c]chinolin-7-one","","","","","","","","","","","","","","","","","","","","12-Benzyl-6-(3-hydroxy-propylamino)-12H-indeno[2',1':4,5...","","C1=CC=C(C=C1)CN2C3=C(C4=C2C5=CC=CC=C5N=C4NCCCO)C(=O)C6=CC=CC=C63","XOGYDBDNJSHVFQ-UHFFFAOYSA-N","45028168",NA,"PDBC11262","741341","Present"
-"12-Benzyl-6-dimethylamino-12H-indeno[2',5]pyrrolo[3,2-c]chinolin-7-one","","","","","","","","","","","","","","","","","","","","12-Benzyl-6-dimethylamino-12H-indeno[2',1':4,5]pyrrolo[3...","","CN(C)C1=NC2=CC=CC=C2C3=C1C4=C(N3CC5=CC=CC=C5)C6=CC=CC=C6C4=O","NJRBMBHRQIJOFJ-UHFFFAOYSA-N","45028167",NA,"PDBC11263","741340","Present"
-"12-Bromo-6H,14H-benzo[b]naphtho[2,3-f][1,5]dithiocin-6,14-dione","","","","","","","","","","","","","","","","","","","","6H,14H-Benzo[b]naphtho[2,3-f][1,5]dithiocin-6,14-dione, ...","","C1=CC=C2C=C3C(=CC2=C1)C(=O)SC4=C(C=C(C=C4)Br)C(=O)S3","JTYVTRAPVMKCDP-UHFFFAOYSA-N","397767",NA,"PDBC11264","706190","Present"
-"12-Cheto-ursocholic acid","","","","","","","","","","","","","","","","","","","","12-Cheto-ursocholic acid","","CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)O)C","MIHNUBCEFJLAGN-NGOHRYARSA-N","376834",NA,"PDBC11265","657952","Present"
-"12-Chloro-7,12-dihydro-9-phenylbenzo[a]phenarsazinine","","","","","","","","","","","","","","","","","","","","12-chloro-7,12-dihydro-9-phenylbenzo[a]phenarsazinine","","C1=CC=C(C=C1)C2=CC3=C(C=C2)[As](C4=C(N3)C=CC5=CC=CC=C54)Cl","OSEDUNHAXMRVHL-UHFFFAOYSA-N","12283554",NA,"PDBC11266","745540","Present"
-"12-Epieupalmerone","","","","","","","","","","","","","","","","","","","","12-epi-eupalmerone","","CC1CCCC(=CCCC2(C(O2)CC3C(C1=O)OC(=O)C3=C)C)C","FGMVUGQMSRSYDL-JDROQCLMSA-N","5472714",NA,"PDBC11267","721051","Present"
-"12-Ethyl-4-methyl-5-sulfanylidene-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one","","","","","","","","","","","","","","","","","","","","12-Ethyl-4-methyl-5-sulfanylidene-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one","","CCN1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C","ULVGXYJDYYXGGD-UHFFFAOYSA-N","5471815",NA,"PDBC11268","714004","Present"
-"12-Ethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione","","","","","","","","","","","","","","","","","","","","12-Ethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione","","CCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O","RFSMYRUHCLFIOJ-UHFFFAOYSA-N","374505",NA,"PDBC11269","652256","Present"
-"12-Hydroxy-2-phenyl-pyrano[2,3-a]acridin-4-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-12-hydroxy-4H-1-oxa-7-azabenz[a]anthracen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)NC5=CC=CC=C5C4=O","NVVKFEIQSDYGLR-UHFFFAOYSA-N","391433",NA,"PDBC11270","690620","Present"
-"12-Hydroxy-6-oxo-indolo[2,1-b]quinazoline-12-carboxylic acid","","","","","","","","","","","","","","","","","","","","6,12-Dihydro-12-hydroxy-6-oxoindolo[2,1-b]quinazoline-12...","","C1=CC=C2C(=C1)C(=O)C3=NC4=CC=CC=C4C(N23)(C(=O)O)O","OQLFADDEFBWNGU-UHFFFAOYSA-N","384866",NA,"PDBC11271","675462","Present"
-"12-Hydroxy-bullatacin A","","","","","","","","","","","","","","","","","","","","12-Hydroxy-bullatacin A","","CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCC(CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O","DDFDZKSKODBLSR-GIPZGXSBSA-N","393470",NA,"PDBC11272","695403","Present"
-"12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one","","","","","","","","","","","","","","","","","","","","12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one","","C1=CC=C2C(=C1)C(N3C4=CC=CC=C4C(=O)C3=N2)O","UYTIXHDIFSRARY-UHFFFAOYSA-N","324952",NA,"PDBC11273","292147","Present"
-"12-Imino-4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),9,19-tetraen-2-one","","","","","","","","","","","","","","","","","","","","6-Imino-1,2,3,4,8,9,10,11-octahydropyrido[1,2-a]pyrido[1...","","C1CCN2C(=NC3=C2C(=O)C4=C(C3=N)N5CCCCC5=N4)C1","LSJYKGSGZXKCFX-UHFFFAOYSA-N","46861729",NA,"PDBC11274","753790","Present"
-"12-Iminodaunorubicin hcl","","","","","","","","","","","","","","","","","","","","12-Iminodaunorubicin HCl","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)C)O)N)O.Cl","KVTVLWOKIDKIQL-LAFLKOLFSA-N","135539784",NA,"PDBC11275","254681","Present"
-"12-Mercaptobenzo[7,8]quino[6,5-g]pteridin-10-ol","","","","","","","","","","","","","","","","","","","","sulfanyl[?]ol","","C1=CC2=C3C(=CC=CN3)C4=NC5=NC(=S)NC(=O)C5=NC4=C2C=C1","MVCPSNVMQDKXPW-UHFFFAOYSA-N","135409051",NA,"PDBC11276","657173","Present"
-"12-Methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride","","","","","","","","","","","","","","","","","","","","12-Methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride","","COC1=C2C3=C(C=CN2)NC=CC3=CC1=O.Cl","CUVOGYSWQRIPOC-UHFFFAOYSA-N","396850",NA,"PDBC11277","703878","Present"
-"12-Methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride","","","","","","","","","","","","","","","","","","","","12-Methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride","","CN1C=CC2=C3C1=C(C(=O)C=C3C=CN2)OC.Cl","HFNGCBDZKXJUJX-UHFFFAOYSA-N","395374",NA,"PDBC11278","699878","Present"
-"12-Methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene","","","","","","","","","","","","","","","","","","","","12-Methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene","","COC1=CC2=C(C=C1)C3=C(CCC2)C=NN3","PBANTNIGHLWVJO-UHFFFAOYSA-N","360368",NA,"PDBC11279","622429","Present"
-"12-Methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol","","","","","","","","","","","","","","","","","","","","12-Methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol","","COC1=C(C=C2C(=C1)CCCC3=C2N(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])O","JRBOEBVEVHDCDD-UHFFFAOYSA-N","321301",NA,"PDBC11280","271271","Present"
-"12-Methoxy-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-ol","","","","","","","","","","","","","","","","","","","","12-Methoxy-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-ol","","COC1=CC(=C2C3=C(C=CN=C13)C4=CC=CC=C4N2)O","QJCJSXJPLXBGED-UHFFFAOYSA-N","54612598",NA,"PDBC11281","723397","Present"
-"12-Methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,9,13,15,17-octaene-2-thione","","","","","","","","","","","","","","","","","","","","12-Methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,9,13,15,17-octaene-2-thione","","CN1C2=C(C3=CC=CC=C31)C(=S)C4=CC=CC=C4C=C2","LSEISMJVAFPVIX-UHFFFAOYSA-N","399557",NA,"PDBC11282","710431","Present"
-"12-Methyl-12H-7-oxa-12-azadibenz[a,e]azulene-5-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 12-methyl-[3]benzoxepino[1,2-b]indole-5-carboxylate","","CN1C2=CC=CC=C2C3=C1C4=CC=CC=C4C(=CO3)C(=O)OC","AQXIHWIKUQDALC-UHFFFAOYSA-N","393109",NA,"PDBC11283","694497","Present"
-"12-Methyl-2,1':4,5][1,3,5]thiadiazino[2,3-b]quinazolin-5-thione","","","","","","","","","","","","","","","","","","","","12-Methyl-2,3-dihydro-12H-imidazo[2',1':4,5][1,3,5]thiad...","","CC1C2=CC=CC=C2N=C3N1C4=NCCN4C(=S)S3","NBSUDTUXMZAVFX-UHFFFAOYSA-N","45028033",NA,"PDBC11284","740809","Present"
-"12-Methyl-2,9,13,15,16,17,18-heptazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3,5,7,12,14,16-heptaen-10-one","","","","","","","","","","","","","","","","","","","","12-Methyl-2,9,13,15,16,17,18-heptazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3,5,7,12,14,16-heptaen-10-one","","CC1=NC2=NN=NN2C3=C1C(=O)NC4=CC=CC=C4N3","UAPMVTFZJRVSBC-UHFFFAOYSA-N","375423",NA,"PDBC11285","655143","Present"
-"12-Methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","12-Methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CN1C2=CC=CC=C2C3=C1C4C(C5C3CCCC5)C(=O)NC4=O","SKKYVSNEQAPJDQ-UHFFFAOYSA-N","362446",NA,"PDBC11286","626393","Present"
-"12-Methyl-5,6,7,8,9,12-hexahydro-9,10,12-triazadibenzo[a,e]azulene-8-one","","","","","","","","","","","","","","","","","","","","18-Methyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one","","CN1C2=C(C3=C1C4=CC=CC=C4CCC3)C(=O)NN=C2","FTDCBIZJAJOZSS-UHFFFAOYSA-N","403910",NA,"PDBC11287","719503","Present"
-"12-Methyl-5h-naphtho[2,3-a]carbazole-5,13(12h)-dione","","","","","","","","","","","","","","","","","","","","12-Methyl-5h-naphtho[2,3-a]carbazole-5,13(12h)-dione","","CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O","JJQIATBTHVGNGQ-UHFFFAOYSA-N","261069",NA,"PDBC11288","92941","Present"
-"12-Methyl-6-phenyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione","","","","","","","","","","","","","","","","","","","","12-Methyl-6-phenyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione","","CN1C2=CC=CC=C2C3=CC(=C4C(=C31)C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6","BEDFEABQTLGSOK-UHFFFAOYSA-N","372655",NA,"PDBC11289","648152","Present"
-"12-Methyl-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene","","","","","","","","","","","","","","","","","","","","12-Methyl-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene","","CN1C2=CC=CC=C2C3=NC=C4C(=C31)C5=CC=CC=C5N4","GPQUXPLMBDBMDW-UHFFFAOYSA-N","364148",NA,"PDBC11290","629818","Present"
-"12-Methylchromeno[2,3-g]quinolin-11-one","","","","","","","","","","","","","","","","","","","","12-Methylchromeno[2,3-g]quinolin-11-one","","CC1=C2C(=CC3=C1C(=O)C4=CC=CC=C4O3)C=CC=N2","VEVKSNNOFYPOBX-UHFFFAOYSA-N","385094",NA,"PDBC11291","676029","Present"
-"12-Methylidene-3,10-dioxatricyclo[7.3.0.02,4]dodecan-11-one","","","","","","","","","","","","","","","","","","","","12-Methylidene-3,10-dioxatricyclo[7.3.0.02,4]dodecan-11-one","","C=C1C2C(CCCCC3C2O3)OC1=O","LWGBAWDTNWXWGZ-UHFFFAOYSA-N","318798",NA,"PDBC11292","258618","Present"
-"12-Methyloctadecanoic acid","","","","","","","","","","","","","","","","","","","","LMFA01020211","","CCCCCCC(C)CCCCCCCCCCC(=O)O","MEBDGIUGSQZVMA-UHFFFAOYSA-N","361942",NA,"PDBC11293","625427","Present"
-"12-Nitrocamptothecin","","","","","","","","","","","","","","","","","","","","12-Nitro-20(S)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C(=C4)C=CC=C5[N+](=O)[O-])O","XQHHKVBMHNTWSH-FQEVSTJZSA-N","11014705",NA,"PDBC11294","603072","Present"
-"12-Oxo-5,7,8,9,10,12-hexahydrobenzo[b]acridine-6-carboxamide","","","","","","","","","","","","","","","","","","","","12-Oxo-5,7,8,9,10,12-hexahydrobenzo[b]acridine-6-carboxamide","","C1CCC2=C(C3=C(C=C2C1)C(=O)C4=CC=CC=C4N3)C(=O)N","CMJZMZAWAFZVEH-UHFFFAOYSA-N","364124",NA,"PDBC11295","629793","Present"
-"12-Oxo-5,7,8,9,10,12-hexahydrobenzo[b]acridine-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","12-Oxo-5,7,8,9,10,12-hexahydrobenzo[b]acridine-6-carboxylic acid","","C1CCC2=C(C3=C(C=C2C1)C(=O)C4=CC=CC=C4N3)C(=O)O","BWGVLBFEXFBNOO-UHFFFAOYSA-N","367585",NA,"PDBC11296","637417","Present"
-"12-Oxo-6,8,10-triphenyl-1,2,3,4,5,6,9,10-octahydro[1,3,5]triazino[1',2':1,2]pyrrolo[3,4-c]quinoline-6a,12a(8H,12H)-dicarbonitrile","","","","","","","","","","","","","","","","","","","","17-Oxo-9,13,15-triphenyl-8,12,14,16-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),11-diene-1,10-dicarbonitrile","","C1CCC2=C(C1)C3(C(=O)N4C(NC(N=C4C3(C(N2)C5=CC=CC=C5)C#N)C6=CC=CC=C6)C7=CC=CC=C7)C#N","OIAIDSVKRFHBPE-UHFFFAOYSA-N","394335",NA,"PDBC11297","697704","Present"
-"12-Phenyl-12H-12-aza-benzo[4,1-a]naphthalen-7-one","","","","","","","","","","","","","","","","","","","","12-Phenyl-12H-12-aza-benzo[4,5]pentaleno[2,1-a]naphthale...","","C1=CC=C(C=C1)N2C3=C(C=CC4=CC=CC=C43)C5=C2C6=CC=CC=C6C5=O","SZKOSIPITMZGBC-UHFFFAOYSA-N","406588",NA,"PDBC11298","724800","Present"
-"12-[2-(Dimethylamino)ethylamino]-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one","","","","","","","","","","","","","","","","","","","","12-[2-(Dimethylamino)ethylamino]-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one","","CN(C)CCNC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","QMRGXZITLIAXJC-UHFFFAOYSA-N","391211",NA,"PDBC11299","690044","Present"
-"12-[2-(Dimethylamino)vinyl]benzo[b]acridine-6,11-dione","","","","","","","","","","","","","","","","","","","","12-[2-(Dimethylamino)vinyl]benzo[b]acridine-6,11-dione","","CN(C)C=CC1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O","UYOCJURIBHUERU-VAWYXSNFSA-N","5468976",NA,"PDBC11300","680732","Present"
-"12-[3'-N-(3'-Aminopropyl)-aminopropylidene]-5,-diketo-2,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline","","","","","","","","","","","","","","","","","","","","12-[3'-N-(3'-Aminopropyl)-aminopropylidene]-5,11,-diketo...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCNCCCN)C4=CC5=C(C=C42)OCO5","SSMROBDXXCACSJ-GIDUJCDVSA-N","45027811",NA,"PDBC11301","724802","Present"
-"12-[6-(Dimethylamino)pyridin-3-yl]-7,10-dihydroxy-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione","","","","","","","","","","","","","","","","","","","","12-(6-(dimethylamino)pyridin-3-yl)-7,10-dihydroxy-12,13-...","","CN(C)C1=NC=C(C=C1)N2CC3=CC=CC=C3OC4=C2C(=O)C5=C(C=CC(=C5C4=O)O)O","IQTUJPHUXIBZEK-UHFFFAOYSA-N","155805712",NA,"PDBC11302","791348","Present"
-"12A-Dehydro-6-hydroxysumatrol","","","","","","","","","","","","","","","","","","","","12A-Dehydro-6-hydroxysumatrol","","CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4O)OC)OC)O","LMMACNCQNDTCON-UHFFFAOYSA-N","5459254",NA,"PDBC11303","661430","Present"
-"12B-019","","","","","","","","","","","","","","","","","","","","12B-019","","C1COCCN1C2=NN(C=C2C3=CC=CC=N3)C(=O)NC4=CC=CC=C4","LEOOHNYLFORDAR-UHFFFAOYSA-N","364494",NA,"PDBC11304","630876","Present"
-"12CH-4,8,12-trioxadibenzo[cd,mn]pyren-12c-amine","","","","","","","","","","","","","","","","","","","","8,14,22-Trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-1-amine","","C1=CC2=C3C(=C1)OC4=C5C3(C6=C(O2)C=CC=C6OC5=CC=C4)N","IJUYAGAKHWNHQB-UHFFFAOYSA-N","393366",NA,"PDBC11305","695173","Present"
-"12H,15H-11,7:16,20-Dimetheno[1,2,9,10]dithiadiazacyclohexadecino[9,10-b]phthalazine-5,22-dione","","","","","","","","","","","","","","","","","","","","18,19-Dithia-2,11-diazapentacyclo[19.3.1.112,16.02,11.04,9]hexacosa-1(24),4,6,8,12,14,16(26),21(25),22-nonaene-3,10-dione","","C1C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)CSS1","TXEVTDQZCNMHBZ-UHFFFAOYSA-N","368736",NA,"PDBC11306","639880","Present"
-"12H-Benzimidazo[2,1-b][1,3]benzothiazin-12-imine","","","","","","","","","","","","","","","","","","","","12H-Benzimidazo[2,1-b][1,3]benzothiazin-12-imine","","C1=CC=C2C(=C1)C(=N)N3C4=CC=CC=C4N=C3S2","KJVAFPISJGKUBC-UHFFFAOYSA-N","366229",NA,"PDBC11307","634565","Present"
-"12H-Benzothiazolo[2,3-b]quinazoline, 7-nitro-9-(trifluoromethyl)-","","","","","","","","","","","","","","","","","","","","12H-Benzothiazolo[2,3-b]quinazoline, 7-nitro-9-(trifluoromethyl)-","","C1C2=CC=CC=C2N=C3N1C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]","FPVMRDWZFMSHFM-UHFFFAOYSA-N","361466",NA,"PDBC11308","624493","Present"
-"12W-0919","","","","","","","","","","","","","","","","","","","","12W-0919","","C1=CC=C2C(=C1)C(=NC3=C(N=NN23)C4=CC=C(C=C4)[N+](=O)[O-])N","POHNBDGGRGBSQB-UHFFFAOYSA-N","331823",NA,"PDBC11309","326660","Present"
-"12a,14a-Dimethyl-1,2,3,3a,3b,4,5,5a,6,7,12,12a,12b,13,14,14a-hexadecahydrocyclopenta[5,6]naphtho[2,1-b]carbazol-1-ol","","","","","","","","","","","","","","","","","","","","2,3-(3',2'-indolo)-5.alpha.-androstan-17.beta.-ol","","CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(C4)NC6=CC=CC=C56)C","XAPHYNIJAGNNNA-UHFFFAOYSA-N","243149",NA,"PDBC11310","60785","Present"
-"12a-Hydroxydalpanol","","","","","","","","","","","","","","","","","","","","12a-Hydroxydalpanol","","CC(C)(C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC)O","NSFCLBVWJYYZMR-DNVFCKCGSA-N","134875",NA,"PDBC11311","646924","Present"
-"12c,12d-Dihydro-2,5,8,11-tetraoxa-3a,4,6,6b,9a,10,12,12b-octaazadicyclopenta[e,l]pyrene","","","","","","","","","","","","","","","","","","","","4,9,14,19-Tetraoxa-1,3,5,7,11,13,15,17-octazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-2,5,12,15-tetraene","","C1N2C3C4N(COCN4C5=NON=C5N3CO1)C6=NON=C62","UUZPPOIOYNEABI-UHFFFAOYSA-N","393542",NA,"PDBC11312","695604","Present"
-"12c-Methyl-12cH-4,12-trioxadibenzo[c,d,mn]pyren-6-yloxamic acid, ethyl ester","","","","","","","","","","","","","","","","","","","","Acetic acid, 2-[(12c-methyl-12cH-4,8,12-trioxadi-benzo[c...","","CC12C3=C4C=CC=C3OC5=CC(=CC(=C51)OC6=CC=CC(=C26)O4)NC(=O)C(=O)OC","VTOHTWFITOLBPS-UHFFFAOYSA-N","393369",NA,"PDBC11313","695177","Present"
-"13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one","","","","","","","","","","","","","","","","","","","","13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one","","C1CC2=C(C3=CC=CC=C31)NC4=C2C(=O)NN=C4","JKEOCLHOKWSGPZ-UHFFFAOYSA-N","135426741",NA,"PDBC11314","715658","Present"
-"13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one","","","","","","","","","","","","","","","","","","","","13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one","","C1=CC=C2C(=C1)C=CC3=C2NC4=C3C(=O)NN=C4","BKASLFBPIRFHMC-UHFFFAOYSA-N","135426788",NA,"PDBC11315","718580","Present"
-"13,14-Dimethyl-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one","","","","","","","","","","","","","","","","","","","","8,9-dimethyl-pyrido[2,3-e]isoindolo[1,2-a]pyrazin-6(5H)one","","CC1=CC2=CN3C4=C(NC(=O)C3=C2C=C1C)N=CC=C4","NGFNZUWZYSKYTF-UHFFFAOYSA-N","155814457",NA,"PDBC11316","760292","Present"
-"13,15-Isocrambescidin 800 trihydrochloride","","","","","","","","","","","","","","","","","","","","13,14,15-isocrambescidin 800 trihydrochloride","","CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CC(CCN)O)CCCC(O5)C.Cl.[Cl-]","UAMQJKWLEUINKJ-XQMVMIKESA-N","400723",NA,"PDBC11317","713157","Present"
-"13,16-Dimethyl-11,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene","","","","","","","","","","","","","","","","","","","","8,11-Dimethylnaphtho[2',1':4,5]imidazo[1,2-a]pyridine","","CC1=CC=C(N2C1=NC3=C2C4=CC=CC=C4C=C3)C","ZGOJBBJVKWSXQK-UHFFFAOYSA-N","378351",NA,"PDBC11318","660433","Present"
-"13,16:29,32-Diethenotetrapyrimido[1,2-d:1',2'-n:2'',1''-j:2''',1'''-t][1,4,11,14]tetraazacycloeicosine, 1,2,3,4,6,7,9,10,11,12,12a,16a,17,18,19,20,22,23,25,26,27,28,28a,32a-tetracosahydro-","","","","","","","","","","","","","","","","","","","","3,7,10,14,21,25,28,32-Octazaheptacyclo[32.2.2.216,19.02,7.010,15.020,25.028,33]tetraconta-1(36),16(40),17,19(39),34,37-hexaene","","C1CNC2C3=CC=C(C=C3)C4NCCCN4CCN5CCCNC5C6=CC=C(C=C6)C7NCCCN7CCN2C1","CDZCPNNVVPVLLM-UHFFFAOYSA-N","373389",NA,"PDBC11319","649616","Present"
-"13,28-Dibromo-2,9,17,24-tetrazatricyclo[23.5.0.010,16]triaconta-1,10,12,14,16,25,27,29-octaene","","","","","","","","","","","","","","","","","","","","13,28-Dibromo-2,9,17,24-tetrazatricyclo[23.5.0.010,16]triaconta-1,10,12,14,16,25,27,29-octaene","","C1CCCN=C2C=CC(=CC=C2NCCCCCCN=C3C=CC(=CC=C3NCC1)Br)Br","SVCUCZMWPIUQLE-UHFFFAOYSA-N","358335",NA,"PDBC11320","618300","Present"
-"13,28-Dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene-19,33-diol","","","","","","","","","","","","","","","","","","","","13,28-Dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene-19,33-diol","","CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C8=C(C=C7CCN6C)OCO8)O)O","KLAOLTDJIRTAEJ-UHFFFAOYSA-N","364101",NA,"PDBC11321","629742","Present"
-"13-((4-Methylphenyl)sulfonyl)-1,4,7,10-tetrathia-13-azacyclopentadecane","","","","","","","","","","","","","","","","","","","","1,4,7,10-Tetrathia-13-azacyclopentadecane, 13-[(4-methyl...","","CC1=CC=C(C=C1)S(=O)(=O)N2CCSCCSCCSCCSCC2","IEOHUEREWMUYFV-UHFFFAOYSA-N","373829",NA,"PDBC11322","650792","Present"
-"13-(2,4-Dichlorophenoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide","","","","","","","","","","","","","","","","","","","","13-(2,4-Dichlorophenoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide","","C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)OC6=C(C=C(C=C6)Cl)Cl","KQCRJFUTKLPVQS-UHFFFAOYSA-N","360387",NA,"PDBC11323","622452","Present"
-"13-(2-(Dimethylamino)propyl)benzo[g]isochromeno[4,3-b]indol-5(13H)-one","","","","","","","","","","","","","","","","","","","","13-(2-(Dimethylamino)propyl)benzo[g]isochromeno[4,3-b]indol-5(13H)-one","","CC(CN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4)N(C)C","LZXKLIZZZXXCCH-UHFFFAOYSA-N","368104",NA,"PDBC11324","638439","Present"
-"13-(3',3'-diphenylpropyl) berberine chloride","","","","","","","","","","","","","","","","","","","","13-(3',3'-diphenylpropyl) berberine chloride","","COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCC(C6=CC=CC=C6)C7=CC=CC=C7)OC","IAAALMLPFGQLFI-UHFFFAOYSA-N","50899605",NA,"PDBC11325","785285","Present"
-"13-(3-Methylanilino)-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one","","","","","","","","","","","","","","","","","","","","13-(3-Methylanilino)-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one","","CC1=CC(=CC=C1)NC2=NN3C(=O)C4=C(N=C3S2)SC5=C4CCCC5","YWMPLXDOLCQMBX-UHFFFAOYSA-N","402650",NA,"PDBC11326","716825","Present"
-"13-(4-Chlorophenyl)-11-(4-methoxyphenyl)-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,15-heptaene-8,9-dione","","","","","","","","","","","","","","","","","","","","13-(4-Chlorophenyl)-11-(4-methoxyphenyl)-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,15-heptaene-8,9-dione","","COC1=CC=C(C=C1)C2=C3C(=NC4=NNC(=C24)C5=CC=C(C=C5)Cl)C6=CC=CC=C6C(=O)C3=O","FSIQSZPBBDZCIG-UHFFFAOYSA-N","60147675",NA,"PDBC11327","752173","Present"
-"13-(4-Chlorophenyl)-14-phenyldiazenyl-11-pyridin-2-yl-2-thia-9,11,13-triazatricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,9-pentaene-12-thione","","","","","","","","","","","","","","","","","","","","13-(4-Chlorophenyl)-14-phenyldiazenyl-11-pyridin-2-yl-2-thia-9,11,13-triazatricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,9-pentaene-12-thione","","C1=CC=C(C=C1)N=NC2=C3N(C(=S)N(C2=NC4=CC=CC=C4S3)C5=CC=CC=N5)C6=CC=C(C=C6)Cl","HAJTVDYXEIIDHM-UHFFFAOYSA-N","435511",NA,"PDBC11328","371189","Present"
-"13-(4-Chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-ol","","","","","","","","","","","","","","","","","","","","13-(4-Chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-ol","","C1C2=CC=CC=C2CN3C(=N1)C4=CC=CC=C4C3(C5=CC=C(C=C5)Cl)O","DGLUIONDYMRDKN-UHFFFAOYSA-N","395635",NA,"PDBC11329","700417","Present"
-"13-(5',5'-diphenylpentyl) berberine chloride","","","","","","","","","","","","","","","","","","","","13-(5',5'-diphenylpentyl) berberine chloride","","COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCCCC(C6=CC=CC=C6)C7=CC=CC=C7)OC","VBDPGMXTTCNSBN-UHFFFAOYSA-N","76318546",NA,"PDBC11330","785288","Present"
-"13-(Trifluoromethyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione","","","","","","","","","","","","","","","","","","","","9-(trifluoromethyl)naphtho[1',2':4,5]imidazo[1,2-a]pyrid...","","C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=C(C=CC4=N3)C(F)(F)F","NMHQRFSBLFQRMV-UHFFFAOYSA-N","127042965",NA,"PDBC11331","795136","Present"
-"13-Acetamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]pentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13-carboxamide","","","","","","","","","","","","","","","","","","","","NSC711426///NSC711427","","CC(=O)NC1(CC2=C(C3=CC=CC=C3C=C2)C4=C(C1)C=CC5=CC=CC=C54)C(=O)NC(CC6=CC=CC=C6)C(=O)NC7CCCCC7","UQWKZSZTENNPAQ-BHVANESWSA-N","6712781",NA,"PDBC11332","711426///711427","Present"
-"13-Anilino-3-methyl-3,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-(phenylamino)-10-methyl-5,6,7,10-tetrahydropyrrolo[3',...","","CN1C(=CC2=C1C3=NC(=NC=C3CCC2)NC4=CC=CC=C4)C(=O)N","MFSHBVNNUTURFV-UHFFFAOYSA-N","134131600",NA,"PDBC11333","776751","Present"
-"13-Benzyl-3,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","","","","","","","","","","","","","","","","","","","13-Benzyl-3,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)N(C4=O)CC7=CC=CC=C7","LNZSHMAGXSVBIS-UHFFFAOYSA-N","392068",NA,"PDBC11334","691880","Present"
-"13-Chloro-14-methyl-17-oxo-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,15-heptaene-16-carbonitrile","","","","","","","","","","","","","","","","","","","","13-Chloro-14-methyl-17-oxo-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,15-heptaene-16-carbonitrile","","CN1C(=CN2C1=C(C(=O)C3=NC4=CC=CC=C4N=C32)C#N)Cl","JGUIYULTVARHJF-UHFFFAOYSA-N","375331",NA,"PDBC11335","654905","Present"
-"13-Desoxyphomenone","","","","","","","","","","","","","","","","","","","","13-Desoxyphomenone","","CC1C(CCC2=CC(=O)C3(C(C12C)O3)C(=C)C)O","PCBDXYONDOCJPR-BLKUAORASA-N","353550",NA,"PDBC11336","602130","Present"
-"13-Diphenylalkyl Berberine","","","","","","","","","","","","","","","","","","","","13-(4',4'-diphenylbutyl) berberine chloride","","COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCCC(C6=CC=CC=C6)C7=CC=CC=C7)OC","GTWMZDSMZWCFBR-UHFFFAOYSA-N","76336682",NA,"PDBC11337","785286","Present"
-"13-Hydroxy-11-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-2-thione","","","","","","","","","","","","","","","","","","","","13-Hydroxy-11-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-2-thione","","CN1C2=CC=CC=C2C3=C1C(CC4CCCN(C4)C(=S)C3)O","UGURIDOCIAPYTK-UHFFFAOYSA-N","393310",NA,"PDBC11338","694975","Present"
-"13-Hydroxy-3,23-bis(prop-2-enyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","","","","","","","","","","","","","","","","","","","12,13-Diallyl-6-hydroxy-12,13-dihydro-5H-indolo[2,3-a]py...","","C=CCN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CC=C)C(=O)N(C4=O)O","OWCBXAYVALOUSY-UHFFFAOYSA-N","155807298",NA,"PDBC11339","783510","Present"
-"13-Hydroxy-3-(6-morpholin-4-yl-6-oxohexyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","","","","","","","","","","","","","","","","","","","6-Hydroxy-12-(6-morpholino-6-oxohexyl)-12,13-dihydro-5H-...","","C1COCCN1C(=O)CCCCCN2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)O","XEBQPIMUDFDTPP-UHFFFAOYSA-N","155805392",NA,"PDBC11340","783514","Present"
-"13-Hydroxy-3-(6-morpholin-4-ylhexyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","","","","","","","","","","","","","","","","","","","4-[6-(6-Hydroxy-5,7-dioxo-5,6,7,13-tetrahydro-12H-indolo...","","C1COCCN1CCCCCCN2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)O","LQCGYSIEFLPMAY-UHFFFAOYSA-N","155807103",NA,"PDBC11341","785682","Present"
-"13-Hydroxy-7-methoxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-2-one","","","","","","","","","","","","","","","","","","","","13-Hydroxy-7-methoxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-2-one","","COC1=CC2=C(C=C1)NC3=C2CC(=O)N4CCCC(C4)CC3O","ADHUSIZSJQFHMD-UHFFFAOYSA-N","393308",NA,"PDBC11342","694973","Present"
-"13-Methoxy-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione","","","","","","","","","","","","","","","","","","","","9-methoxy-naphtho[1',2':4,5]-imidazo[1,2-a]pyridine-5,6-...","","COC1=CN2C(=NC3=C2C(=O)C(=O)C4=CC=CC=C43)C=C1","YPGSDBSFQPHKMV-UHFFFAOYSA-N","127042931",NA,"PDBC11343","795140","Present"
-"13-Methoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine","","","","","","","","","","","","","","","","","","","","13-Methoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine","","COC1=CC2=C(CCCN3C2C4=CC=CC=C4CC3)C=C1","YBVQWCLPAZYLFG-UHFFFAOYSA-N","390000",NA,"PDBC11344","686923","Present"
-"13-Methoxy-6-methyl-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene","","","","","","","","","","","","","","","","","","","","13-Methoxy-6-methyl-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene","","CN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC","DETISAIMFATFMX-UHFFFAOYSA-N","438699",NA,"PDBC11345","658995","Present"
-"13-Methoxydihydronitidine","","","","","","","","","","","","","","","","","","","","nitidine, methoxydihydro","","CN1C(C2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC)OC","SZEOMBMBHCBJJE-UHFFFAOYSA-N","38845",NA,"PDBC11346","146396","Present"
-"13-Methyl-1,3,5,7,10-pentakis-phenyl-4-thia-10,13-diazatetracyclo[5.5.1.02,6.08,12]trideca-2,5-diene-9,11-dione","","","","","","","","","","","","","","","","","","","","13-Methyl-1,3,5,7,10-pentakis-phenyl-4-thia-10,13-diazatetracyclo[5.5.1.02,6.08,12]trideca-2,5-diene-9,11-dione","","CN1C2(C3C(C1(C4=C(SC(=C42)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C3=O)C8=CC=CC=C8)C9=CC=CC=C9","UTEUJMQYIJTBGW-UHFFFAOYSA-N","363193",NA,"PDBC11347","627867","Present"
-"13-Methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","","","","","","","","","","","","","","","","","","","13-Methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","CN1C(=O)C2=C3C4=CC=CC=C4NC3=C5C(=C2C1=O)C6=CC=CC=C6N5C7C(C(C(C(O7)CO)O)O)O","URLWTPJXRLXCMF-UHFFFAOYSA-N","392223",NA,"PDBC11348","692356","Present"
-"13-Methyl-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaen-18-amine","","","","","","","","","","","","","","","","","","","","13-Methyl-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaen-18-amine","","CN1CCC2=C3C1CC4=C(C3=CC(=C2)N)C5=C(C=C4)OCO5","GFLPGNFIZZGPRP-UHFFFAOYSA-N","398347",NA,"PDBC11349","708067","Present"
-"13-Methylnaphtho[1,2-c]quinolizin-5-ium;chloride","","","","","","","","","","","","","","","","","","","","Naphtho[1,2-c]quinolizinium, 13-methyl-, chloride","","CC1=CC2=C(C=CC3=CC=CC=C32)[N+]4=CC=CC=C14.[Cl-]","NPZNZMKCACZBLM-UHFFFAOYSA-M","21144417",NA,"PDBC11350","110383","Present"
-"13-Phenylsulfanyl-13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene","","","","","","","","","","","","","","","","","","","","13-Phenylsulfanyl-13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene","","C1=CC=C(C=C1)SP2(=S)OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65","ZVWYBKWVLCLEHL-UHFFFAOYSA-N","360389",NA,"PDBC11351","622454","Present"
-"13-[2-[[(1R,2R)-2-Aminocyclopentyl]amino]ethyl]-3-(4,5-dihydroxy-6-methyloxan-2-yl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","","","","","","","","","","","","","","","","","","","N-[2-(((1R,2R)-2-aminocyclopentyl)amino)ethyl]-L-olivosy...","","CC1C(C(CC(O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)CCNC8CCCC8N)O)O","BKZBMOQAWMEOBB-LKSZMPJKSA-N","155814151",NA,"PDBC11352","782961","Present"
-"13-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-17-thia-11,13,14-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,14-hexaen-12-one","","","","","","","","","","","","","","","","","","","","13-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-17-thia-11,13,14-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,14-hexaen-12-one","","C1CN(CCN1CCCN2C(=O)N3C(=N2)CSC4=C3C=CC5=CC=CC=C54)C6=CC(=CC=C6)Cl","IFJGFQAURHHDFU-UHFFFAOYSA-N","393576",NA,"PDBC11353","695646","Present"
-"13-[[2-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane","","","","","","","","","","","","","","","","","","","","13-[[2-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane","","C1CN2CCN3P24(N1CCN4CC3)SCC5=CC=CC=C5CSP678N9CCN6CCN7CCN8CC9","OYVLUPXAGFSSPF-UHFFFAOYSA-N","393579",NA,"PDBC11354","695650","Present"
-"13-[[3-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane","","","","","","","","","","","","","","","","","","","","13-[[3-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane","","C1CN2CCN3P24(N1CCN4CC3)SCC5=CC(=CC=C5)CSP678N9CCN6CCN7CCN8CC9","GNMMNSKHUNONDB-UHFFFAOYSA-N","393580",NA,"PDBC11355","695651","Present"
-"13-[[4-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane","","","","","","","","","","","","","","","","","","","","13-[[4-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane","","C1CN2CCN3P24(N1CCN4CC3)SCC5=CC=C(C=C5)CSP678N9CCN6CCN7CCN8CC9","QZYQYYAEJNWJKQ-UHFFFAOYSA-N","393581",NA,"PDBC11356","695652","Present"
-"14,15,18-Triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one","","","","","","","","","","","","","","","","","","","","14,15,18-Triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one","","C1CC2=CC=CC=C2C3=C(C1)C4=C(N3)C=NNC4=O","NENJZDBYRHOJAV-UHFFFAOYSA-N","135426790",NA,"PDBC11357","718582","Present"
-"14,15-Didehydrocoryn-19-en-17-ol","","","","","","","","","","","","","","","","","","","","14,15-Didehydrocoryn-19-en-17-ol","","CC=C1CN2CCC3=C(C2C=C1CCO)NC4=CC=CC=C34","YPFRYGPXDDVVHY-XNJYKOPJSA-N","5467195",NA,"PDBC11358","648231","Present"
-"14,15-cyclopropano-1-N-formyl-vinorelbine-sulfate","","","","","","","","","","","","","","","","","","","","14,15-cyclopropano-1-N-formyl-vinorelbine-sulfate","","CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC","PFJQECMDAFLTOX-XRFSQDKESA-N","155811526",NA,"PDBC11359","775507","Present"
-"14,15-cyclopropano-8'-desmethylene-vinblastine-sulfate","","","","","","","","","","","","","","","","","","","","14,15-cyclopropano-8'-desmethylene-vinblastine-sulfate","","CCC1(CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O","MFPUNENLVZPHFO-CFCAUJNSSA-N","155812848",NA,"PDBC11360","775609","Present"
-"14,15-cyclopropano-anhydrovinblastine","","","","","","","","","","","","","","","","","","","","14,15-cyclopropano-anhydrovinblastine","","CCC1=CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC","VEPPKJWJLBMKNF-YXRASNILSA-N","155817223",NA,"PDBC11361","791526","Present"
-"14,17,17,21,21,24-Hexamethyl-16,22-dioxa-1,5-diazanonacyclo[17.13.2.02,18.03,15.04,12.06,11.023,34.026,33.027,32]tetratriaconta-3(15),4(12),6,8,10,13,23(34),24,26(33),27,29,31-dodecaene","","","","","","","","","","","","","","","","","","","","14,17,17,21,21,24-Hexamethyl-16,22-dioxa-1,5-diazanonacyclo[17.13.2.02,18.03,15.04,12.06,11.023,34.026,33.027,32]tetratriaconta-3(15),4(12),6,8,10,13,23(34),24,26(33),27,29,31-dodecaene","","CC1=CC2=C(C3=C1OC(C4C3N5C6=CC=CC=C6C7=C5C8=C(C(=C7)C)OC(CC48)(C)C)(C)C)NC9=CC=CC=C92","WWTXWAINXWPLQK-UHFFFAOYSA-N","375156",NA,"PDBC11362","654290","Present"
-"14,17,21-Trihydroxypregn-4-ene-3,20-dione","","","","","","","","","","","","","","","","","","","","14,17,21-Trihydroxypregn-4-ene-3,20-dione","","CC12CCC(=O)C=C1CCC3C2CCC4(C3(CCC4(C(=O)CO)O)O)C","NBOPGWCQYLBUPH-FHBGEGHHSA-N","101785",NA,"PDBC11363","79103","Present"
-"14,17-Dihydroxytricyclo[10.3.3.01,12]octadeca-13,16-diene-13,15,16,18-tetracarboxylic acid","","","","","","","","","","","","","","","","","","","","14,17-Dihydroxytricyclo[10.3.3.01,12]octadeca-13,16-diene-13,15,16,18-tetracarboxylic acid","","C1CCCCCC23C(C(=C(C2(CCCC1)C(C(=C3C(=O)O)O)C(=O)O)C(=O)O)O)C(=O)O","ZMKPCPGPHSPHTG-UHFFFAOYSA-N","54676242",NA,"PDBC11364","627686","Present"
-"14,19-Dibenzyl-2-phenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone","","","","","","","","","","","","","","","","","","","","14,19-Dibenzyl-2-phenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone","","C1=CC=C(C=C1)CN2C(=O)C3C4C=C5C6=CC=CC=C6N(C5(C3C2=O)C7C4C(=O)N(C7=O)CC8=CC=CC=C8)C9=CC=CC=C9","XAXWIUWDOCTBFG-UHFFFAOYSA-N","363856",NA,"PDBC11365","629121","Present"
-"14,21-Dimethyl-1,12-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2,4,6,8,10,12,14,16,18,20-decaene","","","","","","","","","","","","","","","","","","","","5,14-Dimethylnaphtho[2',3':4,5]imidazo[1,2-b]isoquinoline","","CC1=C2C=CC=CC2=C(N3C1=NC4=CC5=CC=CC=C5C=C43)C","WISYHMYRACVPRI-UHFFFAOYSA-N","379114",NA,"PDBC11366","663328","Present"
-"14,22-Dioxa-3,8,28-triazapentacyclo[21.2.2.24,7.210,13.116,20]dotriaconta-1(26),2,4,6,8,10,12,16,18,20(28),23(27),24,29,31-tetradecaene","","","","","","","","","","","","","","","","","","","","14,22-Dioxa-3,8,28-triazapentacyclo[21.2.2.24,7.210,13.116,20]dotriaconta-1(26),2,4,6,8,10,12,16,18,20(28),23(27),24,29,31-tetradecaene","","C1C2=NC(=CC=C2)COC3=CC=C(C=C3)C=NC4=CC=C(C=C4)N=CC5=CC=C(O1)C=C5","DFJXVTZAJCINNC-UHFFFAOYSA-N","393563",NA,"PDBC11367","695633","Present"
-"14,22-Dioxa-6,30,36-triazahexacyclo[29.2.2.22,5.116,20.08,13.023,28]octatriaconta-1(34),2(38),3,5(37),6,8,10,12,16(36),17,19,23,25,27,29,31(35),32-heptadecaene","","","","","","","","","","","","","","","","","","","","7,10:11,14-Dietheno-28H-23,27-nitrilo-22H-dibenzo[b,p] [...","","C1C2=NC(=CC=C2)COC3=CC=CC=C3C=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=CC6=CC=CC=C6O1","CCWMEUGJIIMLHD-UHFFFAOYSA-N","388224",NA,"PDBC11368","682817","Present"
-"14,31-Ditert-butyl-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4,6,8,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide","","","","","","","","","","","","","","","","","","","","14,31-Ditert-butyl-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4,6,8,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide","","CC(C)(C)C1=CC2=C(C=C1)OCCOCCOCCOC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)NC4=CC=CC=C4NS2(=O)=O","MTEQHNZGDKUJAH-UHFFFAOYSA-N","360741",NA,"PDBC11369","623080","Present"
-"14,31-Ditert-butyl-6-chloro-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4(9),5,7,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide","","","","","","","","","","","","","","","","","","","","14,31-Ditert-butyl-6-chloro-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4(9),5,7,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide","","CC(C)(C)C1=CC2=C(C=C1)OCCOCCOCCOC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)NC4=C(C=CC(=C4)Cl)NS2(=O)=O","JAFHGQKNNJPWDJ-UHFFFAOYSA-N","360742",NA,"PDBC11370","623081","Present"
-"14-(6-Hydroxy-5-methylpiperidin-2-yl)tetradecan-2-one","","","","","","","","","","","","","","","","","","","","dl-Spectaline","","CC1CCC(NC1O)CCCCCCCCCCCCC(=O)C","RNWTVOYJFYATPT-SXLOBPIMSA-N","374547",NA,"PDBC11371","652298","Present"
-"14-(Aminomethyl)-5,9-dimethyl-12-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","14-(Aminomethyl)-5,9-dimethyl-12-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid","","CC(C)C12CCC3(CCC4C(C3C1)(CCCC4(C)C(=O)O)C)C(C2)CN","CFSIKOAGZWBLPX-UHFFFAOYSA-N","250607",NA,"PDBC11372","70194","Present"
-"14-15 Epoxy-16beta-hydroxyazadirone","","","","","","","","","","","","","","","","","","","","14-15 Epoxy-16.beta.-hydroxyazadirone","","CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(C(C5(CC3)C)C6=COC=C6)O)C)C)(C)C","SGXBWJVOLPTHLP-ICDHDYFYSA-N","6711946",NA,"PDBC11373","647768","Present"
-"14-15-Cyclopropanovindesine-sulfate","","","","","","","","","","","","","","","","","","","","14-15-Cyclopropanovindesine-sulfate","","CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O","DSIPFVAINUSSIE-SJKWVTIXSA-N","155816437",NA,"PDBC11374","781619","Present"
-"14-Benzoyl-2,3-dithia-11,18-diazatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12(17),13,15,20,22-nonaene-10,19-dione","","","","","","","","","","","","","","","","","","","","14-Benzoyl-2,3-dithia-11,18-diazatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12(17),13,15,20,22-nonaene-10,19-dione","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=O)C4=CC=CC=C4SSC5=CC=CC=C5C(=O)N3","KPBGGXUEWQCVBP-UHFFFAOYSA-N","382463",NA,"PDBC11375","670031","Present"
-"14-Benzoylperegrine","","","","","","","","","","","","","","","","","","","","14-Benzoylperegrine","","CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OCC7=CC=CC=C7)OC)OC)OC(=O)C)OC)C","MPZNHEHDGYFENJ-AAWPJNSDSA-N","6852267",NA,"PDBC11376","658003","Present"
-"14-Bromo-7-O-(2,6-trideoxy-2-fluoro-alpha-L-talo-hexo-pyranosyl)-4-demethoxydaunomycinone","","","","","","","","","","","","","","","","","","","","14-Bromo-7-O-(2,3,6-trideoxy-2-fluoro-.alpha.-L-talo-hex...","","CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CBr)O)F)O)O","YSPAGBZXAVKHPD-VFQFLLOGSA-N","6712216",NA,"PDBC11377","659949","Present"
-"14-Bromobenzo[7,8]indolizino[2,3-b]quinoxaline","","","","","","","","","","","","","","","","","","","","14-Bromobenzo[7,8]indolizino[2,3-b]quinoxaline","","C1=CC=C2C(=C1)C=CN3C2=C(C4=NC5=CC=CC=C5N=C43)Br","HBLBVUNRKGGUAF-UHFFFAOYSA-N","375027",NA,"PDBC11378","653853","Present"
-"14-Chloro-20(S)-camptothecin hydrate","","","","","","","","","","","","","","","","","","","","NSC643833","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2Cl)O","YSECKCJSQWAIGC-FQEVSTJZSA-N","6711820",NA,"PDBC11379","643833","Present"
-"14-Chloro-8-azoniatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),12(17),13,15-pentaene;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","14-Chloro-8-azoniatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),12(17),13,15-pentaene;trifluoromethanesulfonate","","C1CCC2=[N+](CC1)CC3C2=CC4=C(C3)C=C(C=C4)Cl.C(F)(F)(F)S(=O)(=O)[O-]","PHOMSDLSBFFDKL-UHFFFAOYSA-M","397955",NA,"PDBC11380","707029","Present"
-"14-Deoxy-12-hydroxyandrographolide","","","","","","","","","","","","","","","","","","","","4-[1-Hydroxy-2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one","","CC12CCC(C(C1CCC(=C)C2CC(C3=CCOC3=O)O)(C)CO)O","KHQNSSJNIXVKMK-UHFFFAOYSA-N","363866",NA,"PDBC11381","629155","Present"
-"14-Ethynyl-1,4-dioxaspiro[4.17]docosan-14-ol","","","","","","","","","","","","","","","","","","","","14-Ethynyl-1,4-dioxaspiro[4.17]docosan-14-ol","","C#CC1(CCCCCCCCC2(CCCCCCCC1)OCCO2)O","ILKJXTMDFHGUBU-UHFFFAOYSA-N","380901",NA,"PDBC11382","666683","Present"
-"14-Fluoro-4-demethoxydaunorubicin","","","","","","","","","","","","","","","","","","","","14-Fluoro-4-demethoxydaunorubicin","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CF)O)N)O","GGFDHOKVCVFSRP-WMPUSZARSA-N","6711360",NA,"PDBC11383","623128","Present"
-"14-Hydroxy-2,3,6,7-tetramethoxy-9,12,13,13a,14,14a-hexahydro-8bH-phenanthro[9,10-f]indolizin-11-one","","","","","","","","","","","","","","","","","","","","13-Hydroxy-2,3,6,7-tetramethoxy-8b,11,12,12a,13,13a-hexa...","","COC1=C(C=C2C(=C1)C3CN4C(CCC4=O)C(C3C5=CC(=C(C=C52)OC)OC)O)OC","KIQPXAFGDZHFOT-UHFFFAOYSA-N","402924",NA,"PDBC11384","717334","Present"
-"14-Hydroxy-6,13-bis(3-pyrrolidin-1-ylpropyl)-3-(3-pyrrolidin-1-ylpropylamino)-10-(3-pyrrolidin-1-ylpropylimino)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),8,11(15)-pentaene-5,7,12-trione","","","","","","","","","","","","","","","","","","","","14-Hydroxy-6,13-bis(3-pyrrolidin-1-ylpropyl)-3-(3-pyrrolidin-1-ylpropylamino)-10-(3-pyrrolidin-1-ylpropylimino)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),8,11(15)-pentaene-5,7,12-","","C1CCN(C1)CCCNC2=CC3=C(N(C(=O)C4=C3C5=C2C(=O)N(C(=O)C5=CC4=NCCCN6CCCC6)CCCN7CCCC7)CCCN8CCCC8)O","DBEUWOMSYGTSOR-UHFFFAOYSA-N","135875632",NA,"PDBC11385","753940","Present"
-"14-Hydroxyhypocretenolide-beta-D-glucoside-4',14''-hydroxy hypocretenoate","","","","","","","","","","","","","","","","","","","","14-Hydroxyhypocretenolide-.beta.-D-glucoside-4',14""""-hydr...","","CC1=CC(=O)C2C1(CC(CCC2CO)C(=C)C(=O)OC3C(OC(C(C3O)O)OCC4CCC5CC6(C4C(=O)C=C6C)OC(=O)C5=C)CO)O","FGLVTFPWKJXSIU-UFHOAEAISA-N","401063",NA,"PDBC11386","713791","Present"
-"14-Methoxy-11-methyl-14-azadispiro[5.1.5^{8}.2^{6}]pentadec-12-ene-7,15-dione","","","","","","","","","","","","","","","","","","","","14-Methoxy-11-methyl-14-azadispiro[5.1.5^{8}.2^{6}]pentadec-12-ene-7,15-dione","","CC1CCC2(C=C1)C(=O)C3(CCCCC3)C(=O)N2OC","BUFHUBGYZDDJBC-UHFFFAOYSA-N","370366",NA,"PDBC11387","643431","Present"
-"14-Methoxy-9-[3-(4-methylpiperazin-1-yl)propyl]-5-nitro-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione","","","","","","","","","","","","","","","","","","","","7-Aza-5,6-dihydro-6-[3-(3H-methylpiperazine-1-yl)propyl]...","","CN1CCN(CC1)CCCN2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=O)C5=C3N=CC(=C5)OC","INJUSSRMORXZTG-UHFFFAOYSA-N","137635982",NA,"PDBC11388","783075","Present"
-"14-Methoxy-epothilone D","","","","","","","","","","","","","","","","","","","","14-methoxy-epothilone D","","CC1CCCC(=CC(C(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)OC)C","HQZJRAPNHNYEMZ-UPBMFQQMSA-N","44225568",NA,"PDBC11389","753573","Present"
-"14-Methyl-1-propan-2-yl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene","","","","","","","","","","","","","","","","","","","","14-Methyl-1-propan-2-yl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene","","CC(C)C12CC3=C(C=CC4=CC=CC=C34)OC1(OC5=C(C2)C6=CC=CC=C6C=C5)C","RSRWBILJBVEIQE-UHFFFAOYSA-N","360854",NA,"PDBC11390","623505","Present"
-"14-Methyl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene","","","","","","","","","","","","","","","","","","","","14-Methyl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene","","CC12C(CC3=C(O1)C=CC4=CC=CC=C34)CC5=C(O2)C=CC6=CC=CC=C56","BXZCDVKPNGPGTC-UHFFFAOYSA-N","360350",NA,"PDBC11391","622400","Present"
-"14-Methyl-14-azadispiro[5.1.5^{8}.2^{6}]pentadec-9-en-7-ol","","","","","","","","","","","","","","","","","","","","14-Methyl-14-azadispiro[5.1.5^{8}.2^{6}]pentadec-9-en-7-ol","","CN1CC2(CCCCC2)C(C13CCCC=C3)O","BSGLKPBTNUWHAD-UHFFFAOYSA-N","370367",NA,"PDBC11392","643432","Present"
-"14-Methyl-17-oxo-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,15-heptaene-16-carbonitrile","","","","","","","","","","","","","","","","","","","","14-Methyl-17-oxo-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,15-heptaene-16-carbonitrile","","CN1C=CN2C1=C(C(=O)C3=NC4=CC=CC=C4N=C32)C#N","HOYFRBGIWOKKEB-UHFFFAOYSA-N","375330",NA,"PDBC11393","654904","Present"
-"14-Methyl-3b,4,5,6,7,8,9,9a,14,14b-decahydro-1H-cycloocta[c]furo[3,4-a]carbazole-1,3(3aH)-dione","","","","","","","","","","","","","","","","","","","","14-Methyl-3b,4,5,6,7,8,9,9a,14,14b-decahydro-1H-cycloocta[c]furo[3,4-a]carbazole-1,3(3aH)-dione","","CN1C2=CC=CC=C2C3=C1C4C(C5C3CCCCCC5)C(=O)OC4=O","PLPKUGCPCLWSFX-UHFFFAOYSA-N","362450",NA,"PDBC11394","626397","Present"
-"14-Methyl-6,7-dithia-2,11-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,10-dione","","","","","","","","","","","","","","","","","","","","14-Methyl-6,7-dithia-2,11-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,10-dione","","CC1=CC2=C(C=C1)NC(=O)CCSSCCC(=O)N2","FQAFWMROYVTKMF-UHFFFAOYSA-N","382461",NA,"PDBC11395","670028","Present"
-"14-Morpholinodaunomycin monohydrochloride","","","","","","","","","","","","","","","","","","","","14-Morpholinodaunomycin monohydrochloride","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CN6CCOCC6)O)N)O.Cl","FBMCFPYWAZGHQG-PYBHCKQVSA-N","24196812",NA,"PDBC11396","239400","Present"
-"14-Nitro-4-oxo-6-(3,4,5-trimethoxyphenyl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile","","","","","","","","","","","","","","","","","","","","14-Nitro-4-oxo-6-(3,4,5-trimethoxyphenyl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile","","COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)NC3=C2CCCC4=C3C=C(C=C4)[N+](=O)[O-])C#N","STVAOTVNYMDBMG-UHFFFAOYSA-N","401108",NA,"PDBC11397","714002","Present"
-"14-Nitro-4-oxo-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile","","","","","","","","","","","","","","","","","","","","14-Nitro-4-oxo-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile","","C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=CC=C4","SHRPQGUJIHOZSZ-UHFFFAOYSA-N","403236",NA,"PDBC11398","717895","Present"
-"14-Nitro-6-(4-nitrophenyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene-4-thione","","","","","","","","","","","","","","","","","","","","14-Nitro-6-(4-nitrophenyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene-4-thione","","C1CC2C(NC(=S)NC2C3=C(C1)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]","VUXCFQZRWRCNSK-UHFFFAOYSA-N","5472332",NA,"PDBC11399","717902","Present"
-"14-Propyl-14H-dibenzo[a,j]xanthene","","","","","","","","","","","","","","","","","","","","14-Propyl-14H-dibenzo[a,j]xanthene","","CCCC1C2=C(C=CC3=CC=CC=C32)OC4=C1C5=CC=CC=C5C=C4","OSZWSSXJFIRCQQ-UHFFFAOYSA-N","277509",NA,"PDBC11400","126401","Present"
-"14-Thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,4,7,9,12,15-hexaene-3,6-dione","","","","","","","","","","","","","","","","","","","","14-Thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,4,7,9,12,15-hexaene-3,6-dione","","C1=CC(=O)C2=NC=C3C(=C2C1=O)N=C4N3C=CS4","IIQCMJOPNYFMFY-UHFFFAOYSA-N","406815",NA,"PDBC11401","725107","Present"
-"14-[2-(Dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide","","","","","","","","","","","","","","","","","","","","14-[2-(Dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino","","CN(C)CCN1C2=C3C(=C(C=C2)C(=O)NCCCN(C)CCCNC(=O)C4=C5C6=C(C=C4)N(N=C6C7=C(N5)C=CC(=C7)OC)CCN(C)C)NC8=C(C3=N1)C=C(C=C8)OC","SMROYVOGMSQMJK-UHFFFAOYSA-N","135426710",NA,"PDBC11402","710552","Present"
-"14b,14c-Dihydroacenaphtho[1,2-b]benzo[f]quinoxaline","","","","","","","","","","","","","","","","","","","","14b,14c-Dihydroacenaphtho[1,2-b]benzo[f]quinoxaline","","C1=CC=C2C(=C1)C=CC3=C2N=C4C5=CC=CC6=CC=CC(C65)C4=N3","RFXZRQNDEBNELR-UHFFFAOYSA-N","379387",NA,"PDBC11403","663929","Present"
-"15,15-Dimethyl-11-phenyl-14-oxa-11-azapentacyclo[6.5.1.13,6.01,6.09,13]pentadecane-7,10,12-trione","","","","","","","","","","","","","","","","","","","","15,15-Dimethyl-11-phenyl-14-oxa-11-azapentacyclo[6.5.1.13,6.01,6.09,13]pentadecane-7,10,12-trione","","CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)N(C5=O)C6=CC=CC=C6)C","ZUGTUFHISUSUOV-UHFFFAOYSA-N","361726",NA,"PDBC11404","624968","Present"
-"15,16-Dichloro-20-(3-imidazol-1-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","6-(3-(1H-imidazol-1-yl)propyl)-2,3-dichloro-5H-[1,3]diox...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4CCCN6C=CN=C6)Cl)Cl","NVWZHPZYXUQSKV-UHFFFAOYSA-N","122471483",NA,"PDBC11405","782771","Present"
-"15,16-Dichloro-20-[(2S)-2,3-dihydroxypropyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","(S)-2,3-dichloro-6-(2,3-dihydroxypropyl)-5H-[1,3]dioxolo...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4CC(CO)O)Cl)Cl","ARIPEJUFKRWZFM-QMMMGPOBSA-N","122660206",NA,"PDBC11406","782772","Present"
-"15,16-Difluoro-20-(3-imidazol-1-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","6-(3-(1H-imidazol-1-yl)propyl)-2,3-difluoro-5H-[1,3]diox...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4CCCN6C=CN=C6)F)F","INXOSBIKPYGOJK-UHFFFAOYSA-N","122471485",NA,"PDBC11407","782769","Present"
-"15,16-Dimethoxy-20-[(3R)-oxolan-3-yl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","(R)-5,6-dihydro-6-(tetrahydrofuran-3-yl)-2,3-dimethoxy-8...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)C6CCOC6)OC","XRIVEXDSZASUKU-LLVKDONJSA-N","155810361",NA,"PDBC11408","785628","Present"
-"15,16-Dimethoxy-20-piperidin-4-yl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(piperidin-4-yl)-2,3-dimethoxy-8,9-methyle...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)C6CCNCC6)OC","MWJWDYPNNRMLNJ-UHFFFAOYSA-N","155806998",NA,"PDBC11409","785623","Present"
-"15,17-Dimethoxytricyclo(11.3.1.1(5,9))octadeca-1(17),5,8,13,15-pentaene-7,18-dione","","","","","","","","","","","","","","","","","","","","Tricyclo[11.3.1.1(5,9)]octadeca-1(17),5,8,13,15-pentaene...","","COC1=CC2=C(C(=C1)CCCC3=CC(=O)C=C(C3=O)CCC2)OC","VCEDWTLHLIZOJL-UHFFFAOYSA-N","335440",NA,"PDBC11410","344832","Present"
-"15,18-Dihydroxy-5,7-dimethyl-11-thia-2,5,7,9-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),3(8),9,14,16,18-hexaene-4,6,13,20-tetrone","","","","","","","","","","","","","","","","","","","","15,18-Dihydroxy-5,7-dimethyl-11-thia-2,5,7,9-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),3(8),9,14,16,18-hexaene-4,6,13,20-tetrone","","CN1C2=C(C(=O)N(C1=O)C)N3C4=C(C(=O)C5=C(C=CC(=C5C4=O)O)O)SC3=N2","IVLUYKYLSSTXDK-UHFFFAOYSA-N","380627",NA,"PDBC11411","666302","Present"
-"15,3,5(10)-Trien-3-ol","","","","","","","","","","","","","","","","","","","","15,16-secoestra-1,3,5(10)-trien-3-ol","","CCC1(CCC2C(C1C)CCC3=C2C=CC(=C3)O)C","UGIZFEGQSXWSAF-IGQHBQKQSA-N","380838",NA,"PDBC11412","666568","Present"
-"15-(3,4-Dihydroxy-5-methoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8-pentaen-13-one","","","","","","","","","","","","","","","","","","","","15-(3,4-Dihydroxy-5-methoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8-pentaen-13-one","","COC1=CC(=CC(=C1O)O)C2C3=CC=CC4=C3C(=CC=C4)C5N2C(=O)CC5","XDONCFAHMRIQHS-UHFFFAOYSA-N","393642",NA,"PDBC11413","695853","Present"
-"15-(4-Bromophenyl)-11-methyl-13-phenyl-8,14lambda4-dithia-13,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),10(14),11-tetraene","","","","","","","","","","","","","","","","","","","","15-(4-Bromophenyl)-11-methyl-13-phenyl-8,14lambda4-dithia-13,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),10(14),11-tetraene","","CC1=CN(S2=C1C3=C(N2C4=CC=C(C=C4)Br)C5=C(S3)CCCC5)C6=CC=CC=C6","MCQAOHJDEJQCID-UHFFFAOYSA-N","390167",NA,"PDBC11414","687312","Present"
-"15-(4-Bromophenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one","","","","","","","","","","","","","","","","","","","","15-(4-Bromophenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one","","CC1(CC2=C3C(=NC4=C(C3=C(N2)C5=CC=C(C=C5)Br)C(=O)CC(C4)(C)C)C1)C","HEHPNPQDFUOYNL-UHFFFAOYSA-N","5471830",NA,"PDBC11415","714391","Present"
-"15-(4-Chlorophenyl)-3,5-dioxa-11,14-diazatetracyclo[7.6.0.0^{2,6}.0^{10,14}]pentadeca-1,6,8,10-tetraen-15-ol","","","","","","","","","","","","","","","","","","","","15-(4-Chlorophenyl)-3,5-dioxa-11,14-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),2(6),7,10-tetraen-15-ol","","C1CN2C(=N1)C3=C(C2(C4=CC=C(C=C4)Cl)O)C5=C(C=C3)OCO5","HKALZDMFTTZJLT-UHFFFAOYSA-N","403507",NA,"PDBC11416","718507","Present"
-"15-(4-Hydroxy-3,5-dimethoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8-pentaen-13-one","","","","","","","","","","","","","","","","","","","","15-(4-Hydroxy-3,5-dimethoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8-pentaen-13-one","","COC1=CC(=CC(=C1O)OC)C2C3=CC=CC4=C3C(=CC=C4)C5N2C(=O)CC5","JQULMCAJNKZANR-UHFFFAOYSA-N","393639",NA,"PDBC11417","695850","Present"
-"15-(4-Methoxyphenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one","","","","","","","","","","","","","","","","","","","","15-(4-Methoxyphenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one","","CC1(CC2=C3C(=NC4=C(C3=C(N2)C5=CC=C(C=C5)OC)C(=O)CC(C4)(C)C)C1)C","JCSGWDWXXCLTQZ-UHFFFAOYSA-N","5471829",NA,"PDBC11418","714390","Present"
-"15-Benzylsulfanyl-13-pyridin-3-yl-10-thia-12,14,16,17-tetrazatetracyclo[9.7.0.02,9.014,18]octadeca-1(11),2(9),12,15,17-pentaene","","","","","","","","","","","","","","","","","","","","3-(benzylthio)-5-(pyridin-3-yl)-8,9,10,11,12,13-hexahydr...","","C1CCCC2=C(CC1)C3=C(S2)N=C(N4C3=NN=C4SCC5=CC=CC=C5)C6=CN=CC=C6","WBMYZGRNQVNSES-UHFFFAOYSA-N","155805259",NA,"PDBC11419","775029","Present"
-"15-Crown-5-tris(2,4-pentadionato)vanadium(III)","","","","","","","","","","","","","","","","","","","","15-Crown-5-tris(2,4-pentadionato)vanadium(III)","","CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.C1COCCOCCOCCOCCO1.[V]","CFBIEDZHXGTWIS-UHFFFAOYSA-N","365235",NA,"PDBC11420","632598","Present"
-"15-Crown-5-vanadium(III)trichloride","","","","","","","","","","","","","","","","","","","","15-Crown-5-vanadium(III)trichloride","","C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[V]","TXLVFZZPCMTRBG-UHFFFAOYSA-R","54608066",NA,"PDBC11421","632599","Present"
-"15-Cyanopuupehenol","","","","","","","","","","","","","","","","","","","","15-Cyanopuupehenol","","CC1(CCCC2(C1CCC3(C2C(C4=CC(=C(C=C4O3)O)O)C#N)C)C)C","UMZGPRHGCSRZHW-QTGRIQAZSA-N","379063",NA,"PDBC11422","663003","Present"
-"15-Deacetylsergeolide","","","","","","","","","","","","","","","","","","","","SERGEOLIDE,DESACETYL","","CC1C2CC3C45COC(C4C(C(=O)O3)O)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC","NPWJHTWCKHUSAM-UHFFFAOYSA-N","125729",NA,"PDBC11423","364170","Present"
-"15-Ethoxynimbocinol","","","","","","","","","","","","","","","","","","","","15-Ethoxynimbocinol","","CCOC1=C2C(CCC3C2(C(CC4C3(C=CC(=O)C4(C)C)C)O)C)(C(C1=O)C5=COC=C5)C","FHCLKMBRHVBNFS-TVHCNMLUSA-N","368985",NA,"PDBC11424","640466","Present"
-"15-Methyl-12,18-dioxa-6,24-diazapentacyclo[23.2.2.22,5.28,11.219,22]pentatriaconta-1(28),2(35),3,5(34),6,8,10,19(31),20,22(30),23,25(29),26,32-tetradecaene","","","","","","","","","","","","","","","","","","","","15-Methyl-12,18-dioxa-6,24-diazapentacyclo[23.2.2.22,5.28,11.219,22]pentatriaconta-1(28),2(35),3,5(34),6,8,10,19(31),20,22(30),23,25(29),26,32-tetradecaene","","CC1CCOC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=CC5=CC=C(C=C5)OCC1","MYIKEEDGSQDDPJ-UHFFFAOYSA-N","396926",NA,"PDBC11425","704107","Present"
-"15-Methyl-14-phenyl-3,8-dithia-15-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene","","","","","","","","","","","","","","","","","","","","15-Methyl-14-phenyl-3,8-dithia-15-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene","","CN1C(=CC2=C3C=CSC3=C4C=CSC4=C21)C5=CC=CC=C5","ITNNWRSCEHRMRR-UHFFFAOYSA-N","395490",NA,"PDBC11426","700132","Present"
-"15-Oxa-2,3,14,16-tetraza-10-azonia-11-azanidapentacyclo[10.7.0.02,10.04,9.013,17]nonadeca-1(12),3,5,7,9,13,16,18-octaene","","","","","","","","","","","","","","","","","","","","15-Oxa-2,3,14,16-tetraza-10-azonia-11-azanidapentacyclo[10.7.0.02,10.04,9.013,17]nonadeca-1(12),3,5,7,9,13,16,18-octaene","","C1=CC2=NN3C4=C(C5=NON=C5C=C4)[N-][N+]3=C2C=C1","DUWUAHHRSKRTIB-UHFFFAOYSA-N","389865",NA,"PDBC11427","686494","Present"
-"15-Oxozoapatlin","","","","","","","","","","","","","","","","","","","","15-oxozoapatlin","","CC12CCCC3(C1CCC45C3(CCC(C4)C(=C)C5=O)C)OC2=O","JZONYWULSJTTAI-IXFQNSDBSA-N","391317",NA,"PDBC11428","690290","Present"
-"15-Phenyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one","","","","","","","","","","","","","","","","","","","","15-Phenyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one","","C1=CC=C(C=C1)C2=NNC(=O)C3=C2NC4=C3C=CC5=CC=CC=C54","JKVAPEYRKWFZCZ-UHFFFAOYSA-N","135426789",NA,"PDBC11429","718581","Present"
-"15-Tert-butyl-20-deoxyvinblastine","","","","","","","","","","","","","","","","","","","","15-tert-butyl-20-deoxyvinblastine","","CCC1CN2CCC3=C(C(CC(C2)C1C(C)(C)C)(C4=C(C=C5C(=C4)C67CCN8C6C(C=CC8)(C(C(C7N5C)(C(=O)OC)O)C(=O)OC)CC)OC)C(=O)OC)NC9=CC=CC=C39","PYJYEFMMMNTEMJ-AWAOMDLUSA-N","6712255",NA,"PDBC11430","663567","Present"
-"15-Thia-8-azoniatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),12(16),13-tetraene;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","15-Thia-8-azoniatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),12(16),13-tetraene;trifluoromethanesulfonate","","C1CCC2=[N+](CC1)CC3C2=CC4=C(C3)C=CS4.C(F)(F)(F)S(=O)(=O)[O-]","MVMCIWNQLMSVLE-UHFFFAOYSA-M","397957",NA,"PDBC11431","707030","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCNCCO)C(=O)C4=CC=CC=C4N3C1=O.Cl","FIDLHZKYHQEZLA-UHFFFAOYSA-N","392057",NA,"PDBC11432","691849","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCNCCO)C(=O)C4=C(N3C1=O)C=CC(=C4)OC.Cl","RTCCOPKCKSLMSC-UHFFFAOYSA-N","392063",NA,"PDBC11433","691852","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethyl-methylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethyl-methylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)N(C)CCN(C)C)C(=O)C4=CC=CC=C4N3C1=O","PLNMWNSPPNPJPB-UHFFFAOYSA-N","392571",NA,"PDBC11434","693118","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione","","CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=CC=CC=C4C2=O)CCN(C)C","ARUURMIALVSXPW-UHFFFAOYSA-N","392570",NA,"PDBC11435","693117","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione","","CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)O)CCN(C)C","LZUSOTZODKLCQV-UHFFFAOYSA-N","392572",NA,"PDBC11436","693119","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione","","CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])CCN(C)C","UAPCXYAZNSSWPA-UHFFFAOYSA-N","394870",NA,"PDBC11437","698959","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[3-(dimethylamino)propylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride","","","","","","","","","","","","","","","","","","","","1H,7H-Pyrimido[5,6,1-de]acridine-1,3(2H),7-trione, 2-[2-...","","CN(C)CCCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=CC=CC=C4C2=O)CCN(C)C.Cl","ZMPOWLUTCWEVFZ-UHFFFAOYSA-N","390163",NA,"PDBC11438","687308","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=C(C5=O)C=C(C=C7)O)CCN(C)C)C(=O)C8=C(N3C1=O)C=CC(=C8)O","TYSQOYAQKRRQCQ-UHFFFAOYSA-N","399641",NA,"PDBC11439","710559","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-methoxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-methoxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=C(C5=O)C=C(C=C7)OC)CCN(C)C)C(=O)C8=C(N3C1=O)C=CC(=C8)OC","SIPTZEGMNNDWNF-UHFFFAOYSA-N","399639",NA,"PDBC11440","710557","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-nitro-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-nitro-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]pr","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=C(C5=O)C=C(C=C7)[N+](=O)[O-])CCN(C)C)C(=O)C8=C(N3C1=O)C=CC(=C8)[N+](=O)[O-]","BKKYJBOYEAHDGS-UHFFFAOYSA-N","399640",NA,"PDBC11441","710558","Present"
-"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=CC=CC=C7C5=O)CCN(C)C)C(=O)C8=CC=CC=C8N3C1=O","FRNLBJJQLDHPJL-UHFFFAOYSA-N","399638",NA,"PDBC11442","710556","Present"
-"15-[2-(Dimethylamino)ethyl]-8-[2-(dimethylamino)ethylimino]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one;hydrochloride","","","","","","","","","","","","","","","","","","","","15-[2-(Dimethylamino)ethyl]-8-[2-(dimethylamino)ethylimino]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one;hydrochloride","","CN(C)CCN=C1C2=CC=CC=C2C3=C4C1=CC=CC4=C(N(C3=O)CCN(C)C)O.Cl","MOWVDIYOEVZNOE-UHFFFAOYSA-N","361124",NA,"PDBC11443","623953","Present"
-"15-[2-[2-(14,16-Dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)ethylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","15-[2-[2-(14,16-Dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)ethylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-d","","C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)N(C4=O)CCNCCN5C(=O)C6=CC=CC7=CC8=CC=CC=C8C(=C76)C5=O.Cl","VBLNEQHSYLFNGC-UHFFFAOYSA-N","361122",NA,"PDBC11444","623951","Present"
-"15-[3-[2-[3-(14,16-Dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)propylamino]ethylamino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","1H-Dibenz[de,h]isoquinoline-1,3-dione, 2,2'- [(1,2-ethan...","","C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)N(C4=O)CCCNCCNCCCN5C(=O)C6=CC=CC7=CC8=CC=CC=C8C(=C76)C5=O.Cl","VCOMKMHCWKRIDJ-UHFFFAOYSA-N","357254",NA,"PDBC11445","615441","Present"
-"15-beta-benzoyloxy,16beta-isovaleroyloxypleurogenin 3bet...","","","","","","","","","","","","","","","","","","","","15-beta-benzoyloxy,16beta-isovaleroyloxypleurogenin 3bet...","","CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C(C4)CCC6(C5CCC7(C6(C(C(C7C(=O)C)OC(=O)CC(C)C)OC(=O)C8=CC=CC=C8)O)C)O)C)C)C)O)OC)O","AQTZURYIISQSLU-NQLOPNLQSA-N","404164",NA,"PDBC11446","720315","Present"
-"15Deoxy-delta-12,14-PGJ2","","","","","","","","","","","","","","","","","","","","15deoxy-delta-12,14-PGJ2","","CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O","VHRUMKCAEVRUBK-WKELIDJCSA-N","5283035",NA,"PDBC11447","720093","Present"
-"15H-Pyrrolo[2,15,4,7,10,20]dioxatetraaza cyclotricosine, cyclic peptide deriv","","","","","","","","","","","","","","","","","","","","Leucine, N-[1-[N-[4-[[3-hydroxy-4-[[N-[N-[1-(2-hydroxy- ...","","CCCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC(C)C)C)CC(C)C)C)C(C)C)O","LCVGRYVBHHRAEK-SCESEMTNSA-N","389482",NA,"PDBC11448","685703","Present"
-"16,17-Dibromo-3,6,9,12-tetrakis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.4.0]octadeca-1(18),14,16-triene","","","","","","","","","","","","","","","","","","","","16,17-Dibromo-3,6,9,12-tetrakis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.4.0]octadeca-1(18),14,16-triene","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC3=CC(=C(C=C3CN(CC2)S(=O)(=O)C4=CC=C(C=C4)C)Br)Br)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C","LHMYIANARQEXHS-UHFFFAOYSA-N","384241",NA,"PDBC11449","673656","Present"
-"16,17-Dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde","","","","","","","","","","","","","","","","","","","","16,17-Dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde","","COC1=C(C2=C(C=C1)C(=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)C=O)OC","YISKKWOKBIOAPF-UHFFFAOYSA-N","397862",NA,"PDBC11450","706485","Present"
-"16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[12.7.0.02,10.04,8.015,20]henicosa-1(14),2,4(8),9,15(20),16,18-heptaen-21-one","","","","","","","","","","","","","","","","","","","","16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[12.7.0.02,10.04,8.015,20]henicosa-1(14),2,4(8),9,15(20),16,18-heptaen-21-one","","COC1=C(C2=C(C=C1)C(=O)C3=C2NCCC4=CC5=C(C=C43)OCO5)OC","MKHRAWDXJGOQHG-UHFFFAOYSA-N","337866",NA,"PDBC11451","357757","Present"
-"16,17-tetra-dehydro-14,15-dihydro-spiroiridal","","","","","","","","","","","","","","","","","","","","16,17-tetra-dehydro-14,15-dihydro-spiroiridal","","CC(=CCCC(=CC=CC(=C)C1CCC2(C1O)C(C(=C(C)C=O)CCC2(C)O)CCCO)COC(=O)C)C","KPFIRSWIEJGVNZ-DDKMFYJYSA-N","9893161",NA,"PDBC11452","631941","Present"
-"16,18-Dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3(11),4,6,8,13,15(19)-heptaen-12-one","","","","","","","","","","","","","","","","","","","","16,18-Dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3(11),4,6,8,13,15(19)-heptaen-12-one","","C1C2=CC=CC=C2C3=C1C(=O)C4=CC5=C(C=C4N3)OCO5","BLHRMMKOUNPFQL-UHFFFAOYSA-N","374410",NA,"PDBC11453","652120","Present"
-"16,27-Dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.210,13.14,30.115,19.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13(36),15,17,19(35),25,27,32-dodecaene","","","","","","","","","","","","","","","","","","","","16,27-Dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.210,13.14,30.115,19.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13(36),15,17,19(35),25,27,32-dodecaene","","CN1CCC2=CC3=C4C=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC","ZBDGREIBILVVBE-UHFFFAOYSA-N","364105",NA,"PDBC11454","629746","Present"
-"16,3,5(10)-Trien-3-ol-17-one","","","","","","","","","","","","","","","","","","","","16,16-Dibenzylestra-1,3,5(10)-trien-3-ol-17-one","","CC12CCC3C(C1CC(C2=O)(CC4=CC=CC=C4)CC5=CC=CC=C5)CCC6=C3C=CC(=C6)O","HSQUKOSNLMSMIA-UWVMXDRVSA-N","24206090",NA,"PDBC11455","740030","Present"
-"16-(1-aziridinyl)-12,20-dioxopregnan-3-yl acetate","","","","","","","","","","","","","","","","","","","","16-(1-aziridinyl)-12,20-dioxopregnan-3-yl acetate","","CC(=O)C1C(CC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)N5CC5","WRCFYFRXAYMSAE-UHFFFAOYSA-N","268745",NA,"PDBC11456","109128","Present"
-"16-(3',5'-Trimethoxybenzylidene)-17a-aza-D-homo-4-androsten-3,17-dione","","","","","","","","","","","","","","","","","","","","16-(3',4',5'-trimethoxybenzylidene)-17a-aza-D-homo-4-and...","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C(=O)N4)C","HBUNJMUOWZSZQA-LFHWRNOPSA-N","5470872",NA,"PDBC11457","706017","Present"
-"16-(4-Chlorophenyl)-4,5-dimethyl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile","","","","","","","","","","","","","","","","","","","","16-(4-Chlorophenyl)-4,5-dimethyl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=C4CCCC4=C(C3=N2)C#N)C5=CC=C(C=C5)Cl","XJOFSFCZDXBVHP-UHFFFAOYSA-N","403388",NA,"PDBC11458","718189","Present"
-"16-(4-Chlorophenyl)-4-methyl-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene","","","","","","","","","","","","","","","","","","","","16-(4-Chlorophenyl)-4-methyl-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene","","CC1=NN2C=NC3=C(C2=N1)C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl","UTRGJSHDHNVFBM-UHFFFAOYSA-N","391833",NA,"PDBC11459","691420","Present"
-"16-(4-Dimethylaminobenzylidene)-17-oxo-5-androsten-3beta-ol","","","","","","","","","","","","","","","","","","","","16-(4-Dimethylaminobenzylidene)-17-oxo-5-androsten-3.bet...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)N(C)C)C4=O)C)O","KHWMMNOVUASODC-ALOBBOQISA-N","5471008",NA,"PDBC11460","707181","Present"
-"16-(4-Dimethylaminobenzylidene)-3beta-pyrrolidino-5-androsten-17beta-ol","","","","","","","","","","","","","","","","","","","","NSC707185","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)N(C)C)C4O)C)N6CCCC6","ZELSPCDDUZGBRT-LGMIRORYSA-N","5471012",NA,"PDBC11461","707185","Present"
-"16-(4-Dimethylaminobenzylidene)-3beta-pyrrolidino-5-androsten-17beta-ylacetate","","","","","","","","","","","","","","","","","","","","NSC707186","","CC(=O)OC1C(=CC2=CC=C(C=C2)N(C)C)CC3C1(CCC4C3CC=C5C4(CCC(C5)N6CCCC6)C)C","DQGRKGXQBAWZMX-ZSSAHIQMSA-N","5471013",NA,"PDBC11462","707186","Present"
-"16-(4-Dimethylaminobenzylidene)-4-androsten-3,17-dione","","","","","","","","","","","","","","","","","","","","16-(4-Dimethylaminobenzylidene)-4-androsten-3,17-dione","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)N(C)C)C4=O)C","IFYUEZMOSVAMNO-YNTIHOHFSA-N","5471011",NA,"PDBC11463","707184","Present"
-"16-(4-Dimethylaminobenzylidene)-5-androsten-3beta,17beta-diol","","","","","","","","","","","","","","","","","","","","NSC707182","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)N(C)C)C4O)C)O","SMISHLGYQVLLJK-HFVHYTQPSA-N","5471009",NA,"PDBC11464","707182","Present"
-"16-(4-Dimethylaminobenzylidene)-5-androsten-3beta,17beta-diyldiacetate","","","","","","","","","","","","","","","","","","","","NSC707183","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=C(C=C5)N(C)C)C4OC(=O)C)C)C","YQMXCSADZMRRNC-LECUOJOOSA-N","5471010",NA,"PDBC11465","707183","Present"
-"16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide","","","","","","","","","","","","","","","","","","","","olendrigenin","","CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C)O)O","IWCNCUVTGOMGKG-UHFFFAOYSA-N","288101",NA,"PDBC11466","148790","Present"
-"16-(Cyclopropylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid","","","","","","","","","","","","","","","","","","","","16-(Cyclopropylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid","","C1CC1CNC(=O)C2C(C3C4=CC=CC=C4C2C5=CC=CC=C35)C(=O)O","OYBPSCQGMJVGKI-UHFFFAOYSA-N","435615",NA,"PDBC11467","372770","Present"
-"16-Chloro-12-oxa-20-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17-octaene-3,10,21-trione","","","","","","","","","","","","","","","","","","","","2-chloronaphtho[2',3':4,5]furo[3,2-c]quinoline-6,7,12(5H...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=C3C(=O)NC5=C4C=C(C=C5)Cl","YAQNUZLIGFNDOW-UHFFFAOYSA-N","155813345",NA,"PDBC11468","791275","Present"
-"16-Chloro-20-(3-imidazol-1-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","6-(3-(1H-imidazol-1-yl)propyl)-3-chloro-5H-[1,3]dioxolo[...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4CCCN6C=CN=C6","VYUYFJRNLYJOIS-UHFFFAOYSA-N","122471484",NA,"PDBC11469","780892","Present"
-"16-Chloro-20-[(2S)-2,3-dihydroxypropyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","(S)-3-chloro-6-(2,3-dihydroxypropyl)-5H-[1,3]dioxolo[4',...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4CC(CO)O","LAJPBLOIENLNAS-JTQLQIEISA-N","122660202",NA,"PDBC11470","780893","Present"
-"16-Chloro-20-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","3-chloro-6-((2S,3R,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4CC(C(C(CO)O)O)O","YWBXGXQCSWWXJB-PDSXEYIOSA-N","155810101",NA,"PDBC11471","781520","Present"
-"16-Chloro-20-[3-(2-hydroxyethylamino)propyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","3-chloro-6-(3-((2-hydroxyethyl)amino)propyl)-5H-[1,3]dio...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4CCCNCCO","UWXUPGPYKSOJJG-UHFFFAOYSA-N","122484906",NA,"PDBC11472","781521","Present"
-"16-Chloro-4,5-dimethyl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile","","","","","","","","","","","","","","","","","","","","16-Chloro-4,5-dimethyl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=C4CCCC4=C(C3=N2)C#N)Cl","IJVMZGKAWOBCME-UHFFFAOYSA-N","395405",NA,"PDBC11473","699941","Present"
-"16-Cyano-3alpha-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost-5-en-3beta-yl acetate","","","","","","","","","","","","","","","","","","","","3.beta.-Acetoxy-13.alpha.-(5'-methyl-1',3',4'-oxadiazol-...","","CC1=NN=C(O1)C2(CCC3C(C2CC#N)CC=C4C3(CCC(C4)OC(=O)C)C)C","NDWYZSPZBODTEA-QPJCPEQFSA-N","388019",NA,"PDBC11474","682444","Present"
-"16-Epi-dihydro-solasodine","","","","","","","","","","","","","","","","","","","","16-Epi-dihydro-solasodine","","CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O","IRRHFODGOMSPEE-UHFFFAOYSA-N","312781",NA,"PDBC11475","224250","Present"
-"16-Fluoro-20-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","3-fluoro-6-((2S,3R,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)F)C(=O)N4CC(C(C(CO)O)O)O","FMGXTLBJBMKAAM-PDSXEYIOSA-N","122660203",NA,"PDBC11476","781519","Present"
-"16-Fluoro-20-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","3-fluoro-6-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)F)C(=O)N4CC(C(C(CO)O)O)O","FMGXTLBJBMKAAM-ZSDSOXJFSA-N","155813555",NA,"PDBC11477","781522","Present"
-"16-Hydroxy stearic acid","","","","","","","","","","","","","","","","","","","","LMFA02000134","","CCC(CCCCCCCCCCCCCCC(=O)O)O","IZAIPALZJVSRHT-UHFFFAOYSA-N","361943",NA,"PDBC11478","625428","Present"
-"16-Hydroxystrychnidin-10-one","","","","","","","","","","","","","","","","","","","","Pseudostrychnine","","C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2(C61C7=CC=CC=C75)O","HCCFPODVEOBUMM-UHFFFAOYSA-N","264627",NA,"PDBC11479","99792","Present"
-"16-Methoxy-4-(4-methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","16-Methoxy-4-(4-methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OC)C(=O)N(C3=O)C6=CC=C(C=C6)OC","UGUWXTYIIXLQET-UHFFFAOYSA-N","390916",NA,"PDBC11480","689137","Present"
-"16-Methyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-ol","","","","","","","","","","","","","","","","","","","","16-Methyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-ol","","CC1=C2C=CC=C2C3=C(O1)C4=CC=CC=C4C(=C3)O","RCWARJMRGAIHDY-UHFFFAOYSA-N","403548",NA,"PDBC11481","718568","Present"
-"16-Oxido-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[b]quinoxalin-5-ium 5-oxide","","","","","","","","","","","","","","","","","","","","16-Oxido-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[b]quinoxalin-5-ium 5-oxide","","C1CCCCCC2=C(CCCC1)N(C3=CC=CC=C3[N+]2=O)[O-]","JHHMCBWFKYQJPB-UHFFFAOYSA-N","358498",NA,"PDBC11482","618506","Present"
-"16-Oximino-17-oxo-5-beta-androstano[3,2',5'-oxadiazole","","","","","","","","","","","","","","","","","","","","16-Oximino-17-oxo-5-.beta.-androstano[3,4-c]-1',2',5'- o...","","CC12CCC3=NON=C3C1CCC4C2CCC5(C4CC(=NO)C5=O)C","KINBHFUHBUNAOF-QNGHJKLGSA-N","54608735",NA,"PDBC11483","631059","Present"
-"16-Oxo-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carbonitrile","","","","","","","","","","","","","","","","","","","","16-Oxo-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carbonitrile","","C1CCC23C(C1)C(C(C(=O)N2)C#N)C4=CC=CC=C4O3","QPSGPLZSTSIZEV-UHFFFAOYSA-N","397582",NA,"PDBC11484","705902","Present"
-"16-Oxo-3,6,9,12,15-pentaoxahentriacont-1-yl palmitate","","","","","","","","","","","","","","","","","","","","16-Oxo-3,6,9,12,15-pentaoxahentriacont-1-yl palmitate","","CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCC","RSZONGZHNRDXMT-UHFFFAOYSA-N","361958",NA,"PDBC11485","625441","Present"
-"16-Oxo-3,6,9,12,15-pentaoxaheptacos-1-yl laurate","","","","","","","","","","","","","","","","","","","","16-Oxo-3,6,9,12,15-pentaoxaheptacos-1-yl laurate","","CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCC","WTVHSVDFIHETFS-UHFFFAOYSA-N","361957",NA,"PDBC11486","625440","Present"
-"16-Phenyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one","","","","","","","","","","","","","","","","","","","","16-Phenyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one","","C1CC2=CC=CC=C2C3=C(C1)C4=C(N3)C(=NNC4=O)C5=CC=CC=C5","GBOFHHAWWBNKQB-UHFFFAOYSA-N","135426791",NA,"PDBC11487","718583","Present"
-"16-Phenyl-3,6,9,12,15-pentaoxahexadec-1-yl hexanoate","","","","","","","","","","","","","","","","","","","","16-Phenyl-3,6,9,12,15-pentaoxahexadec-1-yl hexanoate","","CCCCCC(=O)OCCOCCOCCOCCOCCOCC1=CC=CC=C1","VRCRCBWHBOWEMU-UHFFFAOYSA-N","361962",NA,"PDBC11488","625445","Present"
-"16-Phenyl-3,6,9,12,15-pentaoxahexadec-1-yl laurate","","","","","","","","","","","","","","","","","","","","16-Phenyl-3,6,9,12,15-pentaoxahexadec-1-yl laurate","","CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCC1=CC=CC=C1","FEPJXVPONQORIK-UHFFFAOYSA-N","361956",NA,"PDBC11489","625439","Present"
-"16-[2-(Dimethylamino)ethyl]-5-methoxy-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","16-[2-(Dimethylamino)ethyl]-5-methoxy-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione;hydrochloride","","CN(C)CCN1C(=O)C2=C3C4=C(C=C2)N(N=C4C5=C(N3C1=O)C=CC(=C5)OC)CCN6CCCCC6.Cl","PSYXROSCXSGMJC-UHFFFAOYSA-N","404463",NA,"PDBC11490","720688","Present"
-"16-[3-(2-Morpholin-1-yl ethoxy)benzylidene]-3a-pyrrolidino-5-androsten-17a-ol","","","","","","","","","","","","","","","","","","","","16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-3a-pyrrolidi...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=CC=C5)OCCN6CCOCC6)C4O)C)N7CCCC7","RITQJTOQIMRAIT-XDFFISRTSA-N","24205794",NA,"PDBC11491","736754","Present"
-"16-[3-(2-Morpholin-1-yl ethoxy)benzylidene]-4-androsten-3,17-dione","","","","","","","","","","","","","","","","","","","","16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-4-androsten-...","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=CC=C5)OCCN6CCOCC6)C4=O)C","GKWITWBLAGXYRF-VESJMLDVSA-N","24205793",NA,"PDBC11492","736753","Present"
-"16-[3-(4-Methylpiperazin-1-yl)propyl]-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-10-one","","","","","","","","","","","","","","","","","","","","16-[3-(4-Methylpiperazin-1-yl)propyl]-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-10-one","","CN1CCN(CC1)CCCN2C3=C(C(=O)N4C2=C(N=N4)C5=CC=CC=C5)SC6=C3C=CC=N6","VCHXEXBDVDSHGI-UHFFFAOYSA-N","60148351",NA,"PDBC11493","754173","Present"
-"16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-17-oxo-5-androsten-3a-yl acetate","","","","","","","","","","","","","","","","","","","","16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-17...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCN6CCCCC6)OC)C4=O)C)C","HIJQUAJKHDZCTK-MYRNEKRJSA-N","24203176",NA,"PDBC11494","727082","Present"
-"16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-3a-pyrrolidino-5-androsten-17a-yl acetate","","","","","","","","","","","","","","","","","","","","16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-3a...","","CC(=O)OC1C(=CC2=CC(=C(C=C2)OCCN3CCCCC3)OC)CC4C1(CCC5C4CC=C6C5(CCC(C6)N7CCCC7)C)C","XJJOZTYKEFGELH-MCSFNHJBSA-N","24203175",NA,"PDBC11495","727081","Present"
-"16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-4-androsten-3,17-dione","","","","","","","","","","","","","","","","","","","","16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-4-...","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCN6CCCCC6)OC)C4=O)C","SSCFTWZELHRKAG-BOUWGCRBSA-N","24203173",NA,"PDBC11496","727079","Present"
-"16-[3-Methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-4-androsten-3,17-dione","","","","","","","","","","","","","","","","","","","","16-[3-Methoxy-4-(2- pyrrolidin-1-yl ethoxy)benzylidene]-...","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCN6CCCC6)OC)C4=O)C","ANEFYXNGVXDHDA-YINTVVNPSA-N","24203183",NA,"PDBC11497","727089","Present"
-"16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-17-oxo-5-andros ten-3b-ol","","","","","","","","","","","","","","","","","","","","16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-17-oxo-5-an...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=CC=C5)OCCCN6C=CN=C6)C4=O)C)O","OJNHHIHBTHPWFG-CSQSKVLJSA-N","24205802",NA,"PDBC11498","736762","Present"
-"16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-3b-pyrrolidino-5-androsten-3b,17b-diol","","","","","","","","","","","","","","","","","","","","16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-3b-pyrrolid...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=CC=C5)OCCCN6C=CN=C6)C4O)C)O","JHJDBJDQRPDOBI-HXCWGJBXSA-N","24205804",NA,"PDBC11499","736764","Present"
-"16-[4-(2-Diethylaminoethoxy)3-methoxy benzylidene]-4-androstene-3,17-dione","","","","","","","","","","","","","","","","","","","","16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-4-and...","","CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CCC5=CC(=O)CCC5(C4CCC3(C2=O)C)C)OC","HOZVFMYVRZZOLE-YINTVVNPSA-N","24203178",NA,"PDBC11500","727084","Present"
-"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-3b-py rrolidino-5-androsten-17b-YL acetate","","","","","","","","","","","","","","","","","","","","16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-3...","","CC(=O)OC1C(=CC2=CC(=C(C=C2)OCCCN3C=CN=C3)OC)CC4C1(CCC5C4CC=C6C5(CCC(C6)N7CCCC7)C)C","ZKZZQKXLQROTGA-DYFGQVMESA-N","24204019",NA,"PDBC11501","730460","Present"
-"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-4-and rostene-3,17-dione","","","","","","","","","","","","","","","","","","","","16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-4...","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4=O)C","OINGZYUTNWDDFW-SYNRVTCLSA-N","16051320",NA,"PDBC11502","728324","Present"
-"16-base oligonucleotide with sequence GTTAGGGTTAGGGTTA, ...","","","","","","","","","","","","","","","","","","","","16-base oligonucleotide with sequence GTTAGGGTTAGGGTTA, ...","","","","",NA,"PDBC11503","742140","Present"
-"16.beta-Piperidino-3beta-pyrrolidino-5-androsten-17beta-ol","","","","","","","","","","","","","","","","","","","","16.beta-piperidino-3.beta.-pyrrolidino-5-androsten-17.be...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5CCCCC5)C)N6CCCC6","ZTMOYBLCVNZQCK-JWLDDNKLSA-N","386238",NA,"PDBC11504","677956","Present"
-"16beta-Morpholine-3beta-pyrrolidino-5-androsten-17beta-ol","","","","","","","","","","","","","","","","","","","","16.beta.-Morpholine-3.beta.-pyrrolidino-5-androsten-17.b...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5CCOCC5)C)N6CCCC6","ZFHSASAJJFJGCN-XTZJLTRESA-N","386236",NA,"PDBC11505","677954","Present"
-"16beta-Morpholino-3beta-pyrrolidino-5-androsten-17beta-ol-acetate","","","","","","","","","","","","","","","","","","","","16.beta.-Morpholino-3.beta.-pyrrolidino-5-androsten-17.b...","","CC(=O)OC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)N5CCCC5)C)C)N6CCOCC6","YKZMKGHWQZKTFR-IPQAMJNRSA-N","386237",NA,"PDBC11506","677955","Present"
-"16beta-Morpholino-5-androstene-3beta,17beta-diol","","","","","","","","","","","","","","","","","","","","16.beta.-Morpholino-5-androstene-3.beta.,17.beta.-diol","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5CCOCC5)C)O","JLCVYEPFHBMBFB-QGZPSTLZSA-N","386234",NA,"PDBC11507","677952","Present"
-"16beta-Morpholino-5-androstene-3beta,17beta-diol diacetate","","","","","","","","","","","","","","","","","","","","16.beta.-Morpholino-5-androstene-3.beta.,17.beta.-diol d...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4OC(=O)C)N5CCOCC5)C)C","ZKFREPFWMIRTGZ-XTZJLTRESA-N","386235",NA,"PDBC11508","677953","Present"
-"16beta-N-Methylpiperazino-3beta-pyrrolidino-5-androsten-17-ol","","","","","","","","","","","","","","","","","","","","NSC677961","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5CCN(CC5)C)C)N6CCCC6","OXHRDUFEBLJRIY-JWLDDNKLSA-N","386243",NA,"PDBC11509","677961","Present"
-"16beta-N-Methylpiperazino-3beta-pyrrolidino-5-androstene-17beta-acetate","","","","","","","","","","","","","","","","","","","","NSC677962","","CC(=O)OC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)N5CCCC5)C)C)N6CCN(CC6)C","FWYIUNGXODKFCU-HYAUSYAKSA-N","386244",NA,"PDBC11510","677962","Present"
-"16beta-N-Methylpiperazino-5-androstene-3beta,17beta-diol","","","","","","","","","","","","","","","","","","","","NSC677959","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5CCN(CC5)C)C)O","RKWUYOJWRZWYOD-XBUBOJNLSA-N","386241",NA,"PDBC11511","677959","Present"
-"16beta-N-Methylpiperazino-5-androstene-3beta,17beta-diol-diacetate","","","","","","","","","","","","","","","","","","","","NSC677960","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4OC(=O)C)N5CCN(CC5)C)C)C","MLYWNJCQFJMIOA-JWLDDNKLSA-N","386242",NA,"PDBC11512","677960","Present"
-"16beta-Piperidino-3beta-pyrrolidino-5-androsten-17beta-ol-acetate","","","","","","","","","","","","","","","","","","","","16.beta.-piperidino-3.beta.-pyrrolidino-5-androsten-17.b...","","CC(=O)OC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)N5CCCC5)C)C)N6CCCCC6","ZMYMVZQANNBEGQ-HYAUSYAKSA-N","386239",NA,"PDBC11513","677957","Present"
-"16beta-Pyrrolidino-5-androstene-3beta,17beta-diol-diacetate","","","","","","","","","","","","","","","","","","","","16.beta.-pyrrolidino-5-androstene-3.beta.,17.beta.-diol-...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4OC(=O)C)N5CCCC5)C)C","ARKXPMJVWUONKD-XTZJLTRESA-N","386245",NA,"PDBC11514","677963","Present"
-"16xi-Cyano-17a-aza-D-homo-4-androsten-3,17-dione","","","","","","","","","","","","","","","","","","","","16.xi.-Cyano-17a-aza-D-homo-4-androsten-3,17-dione","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(C(=O)N4)C#N)C","PXJJMZRPGBMTIG-WADKIMPLSA-N","363165",NA,"PDBC11515","627766","Present"
-"16xi-Cyano-3beta-hydroxy-17a-aza-D-homo-5-androsten-17-one","","","","","","","","","","","","","","","","","","","","16.xi.-Cyano-3.beta.-hydroxy-17a-aza-D-homo-5-androsten-...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C(=O)N4)C#N)C)O","VPEPWDNMAQXTSB-OOGQBMPHSA-N","363164",NA,"PDBC11516","627765","Present"
-"17 [3-Furyl]-4,8-trimethyl 14-epoxy, 3,16-dioxo androst-1 en-7yl acetate","","","","","","","","","","","","","","","","","","","","17 [3-furyl]-4,4,8-trimethyl 14 -epoxy, 3,16-dioxo andro...","","CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4C(CC3)(C(C(=O)CO4)C5=COC=C5)C)C)C)(C)C","PTCRURKNRJPXBV-MBEPTNBMSA-N","24205534",NA,"PDBC11517","736114","Present"
-"17,17-Dimethyl-17-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene;iodide","","","","","","","","","","","","","","","","","","","","Pavinane, methiodide, (.+-.)-","","C[N+]1(C2CC3=CC=CC=C3C1CC4=CC=CC=C24)C.[I-]","IPMKFRYOCGBFEW-UHFFFAOYSA-M","24193184",NA,"PDBC11518","148831","Present"
-"17,18-Dimethoxy mycalamide A","","","","","","","","","","","","","","","","","","","","17,18-Dimethoxy mycalamide A","","CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(COC)OC)(C)C)OC)OCO2)O)OC)C","ZKLATNGQEGXGER-GXDHPWFCSA-N","6711421",NA,"PDBC11519","626170","Present"
-"17,20,23-Trioxa-33-azatricyclo[12.11.7.127,31]tritriaconta-27(33),28,30-triene-2,13-dione","","","","","","","","","","","","","","","","","","","","17,20,23-Trioxa-33-azatricyclo[12.11.7.127,31]tritriaconta-27(33),28,30-triene-2,13-dione","","C1CCCCCC(=O)C2CCOCCOCCOCCC(CC3=NC(=CC=C3)C2)C(=O)CCCC1","ZJMTYCCSDMLNTG-UHFFFAOYSA-N","370640",NA,"PDBC11520","643982","Present"
-"17,20-Dioxa-1,14,30-triazatricyclo[12.8.7.124,28]triaconta-24(30),25,27-triene-2,13-dione","","","","","","","","","","","","","","","","","","","","17,20-Dioxa-1,14,30-triazatricyclo[12.8.7.124,28]triaconta-24(30),25,27-triene-2,13-dione","","C1CCCCCC(=O)N2CCOCCOCCN(CC3=NC(=CC=C3)C2)C(=O)CCCC1","GZXLLSQUHKUXQI-UHFFFAOYSA-N","370639",NA,"PDBC11521","643981","Present"
-"17,22,64,68-Tetrakis-(4-methylphenyl)sulfonyl-3,6,9,30,33,36,50,53,56,76,79,82-dodecaoxa-17,22,64,68-tetrazaundecacyclo[46.45.1.138,84.02,90.010,15.024,29.037,42.044,49.057,62.070,75.083,88]pentanonaconta-1(93),2(90),10,12,14,24,26,28,37,39,41,44,46,48,57,59,61,70,72,74,83(88),84,86,91-tetracosaene","","","","","","","","","","","","","","","","","","","","17,22,64,68-Tetrakis-(4-methylphenyl)sulfonyl-3,6,9,30,33,36,50,53,56,76,79,82-dodecaoxa-17,22,64,68-tetrazaundecacyclo[46.45.1.138,84.02,90.010,15.024,29.037,42.044,49.057,62.070,75.083,88]pentanonac","","CC1=CC=C(C=C1)S(=O)(=O)N2CCCCN(CC3=CC=CC=C3OCCOCCOC4=C5CC6=CC=CC7=C6OCCOCCOC8=CC=CC=C8CN(CCCN(CC9=CC=CC=C9OCCOCCOC1=C(CC3=CC=CC(=C3OCCOCCOC3=CC=CC=C3C2)C7)C=CC=C1CC4=CC=C5)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C","FCEBCMQYFZQGTH-UHFFFAOYSA-N","16129820",NA,"PDBC11522","683343","Present"
-"17-(1,3-Dihydroxy-2-methylpropan-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","","","","","","","","","","","","","","","","","","","17-(1,3-Dihydroxy-2-methylpropan-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","CC(CO)(CO)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35","VODJPMSJPOSWAP-UHFFFAOYSA-N","380636",NA,"PDBC11523","666312","Present"
-"17-(2-Amino-1,3-thiazol-4-yl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;4-bromobenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","17-(2-Amino-1,3-thiazol-4-yl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;4-bromobenzenesulfonic acid","","CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C5=CSC(=N5)N)C)O.C1=CC(=CC=C1S(=O)(=O)O)Br","RZIOOCVUORSHLI-UHFFFAOYSA-N","261361",NA,"PDBC11524","93355","Present"
-"17-(2-Aminoethyl)-15-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","","","","","","","","","","","","","","","","","","","17-(2-Aminoethyl)-15-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","CC12C(C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)CCN","BWXOIMSWNBJEFJ-UHFFFAOYSA-N","363567",NA,"PDBC11525","628539","Present"
-"17-(4-Hydroxy-3,5-dimethoxyphenyl)-11-(2-hydroxyethyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one","","","","","","","","","","","","","","","","","","","","17-(4-Hydroxy-3,5-dimethoxyphenyl)-11-(2-hydroxyethyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one","","COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4","XRWCXPWCGIPMDX-UHFFFAOYSA-N","54579202",NA,"PDBC11526","751503","Present"
-"17-(Benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene","","","","","","","","","","","","","","","","","","","","17-(Benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene","","C1=CC=C(C=C1)S(=O)(=O)N2C3=C(C4=C2N=CC=C4)N=C5C(=C3)C=CC=N5","BRLBWHVCSDWXMH-UHFFFAOYSA-N","387556",NA,"PDBC11527","681479","Present"
-"17-(O-(2-Pyrrolidinoethyl)]oximino-5-androsten-3beta-ol","","","","","","","","","","","","","","","","","","","","17-(O-(2-Pyrrolidinoethyl)]oximino-5-androsten-3.beta.-ol","","CC12CCC3C(C1CCC2=NOCCN4CCCC4)CC=C5C3(CCC(C5)O)C","NKCAZFVLQNHPQH-CGZUMTCDSA-N","9571964",NA,"PDBC11528","680093","Present"
-"17-(O-Diethylaminoethyl)oximino-3-methoxy-1,5(10)-estratriene hydrochloride","","","","","","","","","","","","","","","","","","","","17-(O-Diethylaminoethyl)oximino-3-methoxy-1,3,5(10)- est...","","CCN(CC)CCON=C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC)C.Cl","VDPBJDKTBKVPPL-JPTFXBEYSA-N","9571965",NA,"PDBC11529","680094","Present"
-"17-(O-Diethylaminoethyl)oximino-5-androsten-3beta-ol","","","","","","","","","","","","","","","","","","","","17-(O-Diethylaminoethyl)oximino-5-androsten-3.beta.-ol","","CCN(CC)CCON=C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C","UXHUPNIHEPMJGP-CGZUMTCDSA-N","9571963",NA,"PDBC11530","680092","Present"
-"17-(Pyridin-3-yl)androsta-5,16-dien-3-ol","","","","","","","","","","","","","","","","","","","","Abirateron","","CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)O","GZOSMCIZMLWJML-UHFFFAOYSA-N","21879648",NA,"PDBC11531","741232","Present"
-"17-Acetyl-15-benzyl-9,14-dihydroxy-16-methyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione","","","","","","","","","","","","","","","","","","","","17-Acetyl-15-benzyl-9,14-dihydroxy-16-methyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione","","CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1CC5=CC=CC=C5)O)C(=O)C","GBBCBCPUGHROAN-UHFFFAOYSA-N","24203201",NA,"PDBC11532","727113","Present"
-"17-Acetyl-9,14-dihydroxy-15,16-dimethyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione","","","","","","","","","","","","","","","","","","","","17-Acetyl-9,14-dihydroxy-15,16-dimethyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione","","CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1C)O)C(=O)C","HTNWZJFQMCNNFU-UHFFFAOYSA-N","24203340",NA,"PDBC11533","727573","Present"
-"17-Acetyl-9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione","","","","","","","","","","","","","","","","","","","","17-Acetyl-9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione","","CC1=CC=C(C=C1)N2C(=C(C34C2(C=CC(=O)C3=C(C5=CC=CC=C5C4=O)O)O)C(=O)C)C","FCALTQCBAAOVOL-UHFFFAOYSA-N","405612",NA,"PDBC11534","722982","Present"
-"17-Acetyl-9,14-dihydroxy-16-methyl-15-phenyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione","","","","","","","","","","","","","","","","","","","","17-Acetyl-9,14-dihydroxy-16-methyl-15-phenyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione","","CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1C5=CC=CC=C5)O)C(=O)C","NEOGUPBLFPVJRQ-UHFFFAOYSA-N","405611",NA,"PDBC11535","722981","Present"
-"17-Amino-3-methoxy-17-aza-1,5(10)-estratriene-16,17a-dione","","","","","","","","","","","","","","","","","","","","17-Amino-3-methoxy-17-aza-1,3,5(10)-estratriene-16,17a-d...","","CC12CCC3C(C1CC(=O)N(C2=O)N)CCC4=C3C=CC(=C4)OC","KAGWXCAUSLFFEO-DXCLHELWSA-N","375744",NA,"PDBC11536","655766","Present"
-"17-Aminodemethoxygeldanamycin","","","","","","","","","","","","","","","","","","","","NSC255109","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)C)OC)OC(=O)N)C)C)O)OC","XYFFWTYOFPSZRM-FFFKWXGKSA-N","54607189",NA,"PDBC11537","255109","Present"
-"17-Aza-D-homo-5beta-androstano[3,2',5'-oxadiazole-17-one","","","","","","","","","","","","","","","","","","","","17-Aza-D-homo-5.beta.-androstano[3,4-c]-1',2',5'- oxadia...","","CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC(=O)N5)C","YEHQORIKHMVXGR-AIAOSMENSA-N","364576",NA,"PDBC11538","631063","Present"
-"17-Benzyl-8-hydroxy-4,5,13,15-tetramethyl-3,6,13,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaene-12,14-dione","","","","","","","","","","","","","","","","","","","","17-Benzyl-8-hydroxy-4,5,13,15-tetramethyl-3,6,13,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaene-12,14-dione","","CC1=NC2=C(C=C3C4=C(N(C(=O)N(C4=O)C)C)N(C3=C2N=C1C)CC5=CC=CC=C5)O","XSXGYJOLRYBIJR-UHFFFAOYSA-N","135426816",NA,"PDBC11539","720175","Present"
-"17-Bromo-13,15-dimethoxy-7-methyl-3,6,10-trithiatricyclo[10.2.2.15,8]heptadeca-1(15),5(17),7,12(16),13-pentaene","","","","","","","","","","","","","","","","","","","","17-Bromo-13,15-dimethoxy-7-methyl-3,6,10-trithiatricyclo[10.2.2.15,8]heptadeca-1(15),5(17),7,12(16),13-pentaene","","CC1=C2CSCC3=CC(=C(CSCC(=C2Br)S1)C=C3OC)OC","SZRWPRLKDAHBTO-UHFFFAOYSA-N","373408",NA,"PDBC11540","649651","Present"
-"17-Butyl-3-(2-pyrrolizinoethoxy)-17-aza-D-homoestra-1,3,5(10)-triene-16,17a-dione","","","","","","","","","","","","","","","","","","","","3-[2-pyrrolidino] ethoxy-17-butyl-17-aza-1,3,5(10)-estra...","","CCCCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OCCN5CCCC5","JEACMQIPSAMFPH-BCCVMWATSA-N","383426",NA,"PDBC11541","671765","Present"
-"17-Demethoxy-17-N-allyamino-geldanamycin 11-(4'-aminobutyrate) hydrochloride","","","","","","","","","","","","","","","","","","","","17-Demethoxy-17-N-allyamino-geldanamycin 11-(4'-aminobut...","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCCN)OC.Cl","XAZUMYREMJEFLY-PYHLRZMUSA-N","5469101",NA,"PDBC11542","683201","Present"
-"17-Demethoxy-17-allylamino geldanamycin-11-[4-(dimethylamino)butyrate]","","","","","","","","","","","","","","","","","","","","17-Demethoxy-17-allylamino geldanamycin-11-[4-(dimethyla...","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCCN(C)C)OC","AECIQLGENYZZDN-ARIHMTBOSA-N","5470131",NA,"PDBC11543","697886","Present"
-"17-Desmethylgeldanamycin","","","","","","","","","","","","","","","","","","","","NSC255104","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=O)C(=C2O)C1)C)OC)OC(=O)N)C)C)O)OC","AFFSZNHAULCEKY-AFGHJBDBSA-N","5358467",NA,"PDBC11544","255104","Present"
-"17-Diisopropoxyphosphoryl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene","","","","","","","","","","","","","","","","","","","","17-Diisopropoxyphosphoryl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene","","CC(C)OP(=O)(C1=CC2=C(C=C1)OCCOCCOCCOCCO2)OC(C)C","PZFSIKBYDICVDN-UHFFFAOYSA-N","376521",NA,"PDBC11545","657480","Present"
-"17-Ethyl-4-methoxytetracyclo[8.4.4.01,10.03,8]octadeca-3(8),4,6,12,16-pentaene-2,9,11,14-tetrone","","","","","","","","","","","","","","","","","","","","17-Ethyl-4-methoxytetracyclo[8.4.4.01,10.03,8]octadeca-3(8),4,6,12,16-pentaene-2,9,11,14-tetrone","","CCC1=CCC23C(=O)C=CC(=O)C2(C1)C(=O)C4=C(C3=O)C(=CC=C4)OC","QHNGSXZENGBSRH-UHFFFAOYSA-N","383757",NA,"PDBC11546","672199","Present"
-"17-Hydroxyjolkinolide A","","","","","","","","","","","","","","","","","","","","17-hydroxyjolkinolide A","","CC1(CCCC2(C1CCC34C2C=C5C(=C(C(=O)O5)CO)C3O4)C)C","DIJWCRKTZVUBDY-PHJMNMFVSA-N","6712606",NA,"PDBC11547","700086","Present"
-"17-Hydroxyjolkinolide B","","","","","","","","","","","","","","","","","","","","17-hydroxyjolkinolide B","","CC1(CCCC2(C1CCC34C2C5C6(O5)C(=C(C(=O)O6)CO)C3O4)C)C","ORPHDWFMIUUKJM-MCDHERAVSA-N","6712607",NA,"PDBC11548","700088","Present"
-"17-Methoxy mycalamide A","","","","","","","","","","","","","","","","","","","","mycalamide b","","CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(CO)OC)(C)C)OC)OCO2)O)OC)C","AAABMNXUOFPYQK-WQRPFLISSA-N","6711419",NA,"PDBC11549","626168","Present"
-"17-Methyl-6-methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile","","","","","","","","","","","","","","","","","","","","17-Methyl-6-methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile","","CN1C2=CC=CC=C2N3C1=C(C4=CN=C(N=C4C3=O)SC)C#N","MENXEHBFMGTXLP-UHFFFAOYSA-N","390690",NA,"PDBC11550","688322","Present"
-"17-Methyl-9-phenyl-2,5,17-triaza-8-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;iodide","","","","","","","","","","","","","","","","","","","","11H-Pyrazino[1',2':1,2]pyrimido[4,5-b]indol-5-ium, 11-me...","","CN1C2=CC=CC=C2C3=C1N=C4C=NC=C[N+]4=C3C5=CC=CC=C5.[I-]","GYGUFISYIZFLDQ-UHFFFAOYSA-M","405267",NA,"PDBC11551","722419","Present"
-"17-O-Acetylacuminolide","","","","","","","","","","","","","","","","","","","","17-O-Acetylacuminolide","","CC(=O)OCC12CCC3C(CCCC3(C1CC(O2)C4=CC(=O)OC4O)C)(C)C","NOFRYDHCCCFKCU-IHBVCYBESA-N","380682",NA,"PDBC11552","666384","Present"
-"17-Oxo-16-(3',5'-trimethoxybenzylidene)-17a-aza-D-homo-5-androsten-3beta-ol","","","","","","","","","","","","","","","","","","","","17-Oxo-16-(3',4',5'-trimethoxybenzylidene)-17a-aza-D-hom...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C(=O)N4)C)O","IPASNMRJVPIUIS-AIMVHRILSA-N","5470871",NA,"PDBC11553","706016","Present"
-"17-Oxo-3-pyrrolidino-16-(3',5'-trimethoxybenzylidene)-3,5-androstadiene","","","","","","","","","","","","","","","","","","","","17-oxo-3-pyrrolidino-16-(3',4',5'-trimethoxybenzylidene)...","","CC12CCC(=CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=O)C)N6CCCC6","IGMOYTAAOAZHOA-UATAJNHUSA-N","5470874",NA,"PDBC11554","706019","Present"
-"17-[(3S)-3-Aminopyrrolidin-1-yl]-18-fluoro-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxylic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","17-[(3S)-3-Aminopyrrolidin-1-yl]-18-fluoro-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxylic acid;hydrochloride","","C1CN(CC1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=C6C(=C5)C7=CC=CC=C7O6)F.Cl","HATGBBIJRKGBRW-YDALLXLXSA-N","54611538",NA,"PDBC11555","709849","Present"
-"17-[(E)-11-Diisopropoxyphosphorylundec-1-enyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene","","","","","","","","","","","","","","","","","","","","17-[(E)-11-Di(propan-2-yloxy)phosphorylundec-1-enyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene","","CC(C)OP(=O)(CCCCCCCCCC=CC1=CC2=C(C=C1)OCCOCCOCCOCCO2)OC(C)C","HZYMIPLSFOHNHD-WYMLVPIESA-N","5839465",NA,"PDBC11556","657490","Present"
-"17-[(E)-11-Dodecoxyundec-1-enyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene","","","","","","","","","","","","","","","","","","","","17-[(E)-11-Dodecoxyundec-1-enyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene","","CCCCCCCCCCCCOCCCCCCCCCC=CC1=CC2=C(C=C1)OCCOCCOCCOCCO2","FCZBWHJGMUABEE-DYTRJAOYSA-N","5901850",NA,"PDBC11557","657489","Present"
-"17-[1-[2-(Dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol","","","","","","","","","","","","","","","","","","","","17-[1-[2-(Dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol","","CC(C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)NCCN(C)C","OQLPSYJNZRYLOQ-UHFFFAOYSA-N","268993",NA,"PDBC11558","109509","Present"
-"17-[2-(Dimethylamino)ethyl]-3,4-dihydroxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione","","","","","","","","","","","","","","","","","","","","N-[N',N'-(dimethylamino)ethyl]-L-olivosyl-AF (2N)","","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)CCN(C)C)O)O","ZLJSDLKUIBFILV-UHFFFAOYSA-N","155814149",NA,"PDBC11559","782960","Present"
-"17-[2-[2-[2-[2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-17-yl(phenyl)phosphoryl]ethoxy]phenoxy]ethyl-phenyl-phosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene","","","","","","","","","","","","","","","","","","","","17-[2-[2-[2-[2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl(phenyl)phosphoryl]ethoxy]phenoxy]ethyl-phenylphosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene","","C1COCCOC2=C(C=C(C=C2)P(=O)(CCOC3=CC=CC=C3OCCP(=O)(C4=CC=CC=C4)C5=CC6=C(C=C5)OCCOCCOCCOCCO6)C7=CC=CC=C7)OCCOCCO1","NQVLIKGROOEJAR-UHFFFAOYSA-N","375039",NA,"PDBC11560","653867","Present"
-"17-[O-(2-Piperidinoethyl)]oximo-3-methoxy-1,5(10)-estratriene hydrochloride","","","","","","","","","","","","","","","","","","","","17-[O-(2-Piperidinoethyl)]oximo-3-methoxy-1,3,5(10)-estr...","","CC12CCC3C(C1CCC2=NOCCN4CCCCC4)CCC5=C3C=CC(=C5)OC.Cl","JTZPHIFIOGLGEO-SXOQFUSSSA-N","9571994",NA,"PDBC11561","683880","Present"
-"17-[O-(2-Pyrrolidinoethyl)]oximino-3-methoxy-1,5(10)-estratriene hydrochloride","","","","","","","","","","","","","","","","","","","","17-[O-(2-pyrrolidinoethyl)]oximino-3-methoxy-1,3,5(10)- ...","","CC12CCC3C(C1CCC2=NOCCN4CCCC4)CCC5=C3C=CC(=C5)OC.Cl","DHCVWBOAEGTZDS-JPTFXBEYSA-N","9571967",NA,"PDBC11562","680095","Present"
-"17-[[Dimethyl(oxo)-lambda6-sulfanylidene]amino]-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","","","","","","","","","","","","","","","","","","","17-[[Dimethyl(oxo)-lambda6-sulfanylidene]amino]-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione","","CS(=NN1C(=O)N2C3C4=CC=CC=C4C(N2C1=O)C5=CC=CC=C35)(=O)C","KBUNMOHBXNQQLX-UHFFFAOYSA-N","396799",NA,"PDBC11563","703778","Present"
-"17-beta-Hydroxy-17-methyl-5.-alpha.-androstano[2,3-d] pyrazol-4-one","","","","","","","","","","","","","","","","","","","","17-.beta.-Hydroxy-17-methyl-5.-alpha.-androstano[2,3-d] ...","","CC12CCC3C(C1CCC2(C)O)CCC4C3(CC5=C(C4=O)NN=C5)C","JIKWZDFWABFBJE-CVGDSEJQSA-N","364585",NA,"PDBC11564","631072","Present"
-"17-beta-Hydroxy-5-alpha-androstano[2,3-d]pyrazol-4-one","","","","","","","","","","","","","","","","","","","","17-.beta.-Hydroxy-5-.alpha.-androstano[2,3-d]pyrazol-4-one","","CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(C4=O)NN=C5)C","BPEDWBXBKASWAM-IZJGNNBHSA-N","364583",NA,"PDBC11565","631070","Present"
-"17-n-Propylamino-geldanamycin","","","","","","","","","","","","","","","","","","","","17-n-Propylamino-geldanamycin","","CCCNC1=C2CC(CC(C(C(C=C(C(C(C=CC=C(C(=O)NC(=CC1=O)C2=O)C)OC)OC(=O)N)C)C)O)OC)C","WYFYMWZHGYHGAR-CTPSMGKJSA-N","5472884",NA,"PDBC11566","662199","Present"
-"17a-Aza-D-homo-5-alpha-androstano[3,2',5'-oxadiazole-17-one","","","","","","","","","","","","","","","","","","","","17a-Aza-D-homo-5-.alpha.-androstano[3,4-c]-1',2',5'- oxa...","","CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC(=O)N5)C","YEHQORIKHMVXGR-SHVKUQBDSA-N","364577",NA,"PDBC11567","631064","Present"
-"17a-Aza-D-homo-5-androsteno[17,16-b]quinolin-3beta-ylacetate","","","","","","","","","","","","","","","","","","","","17a-Aza-D-homo-5-androsteno[17,16-b]quinolin-3.beta.-yla...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=CC6=CC=CC=C6N=C5N4)C)C","HVLLZGCXBUCKJF-FEBXSPTKSA-N","363171",NA,"PDBC11568","627773","Present"
-"17a-Methyl-17a-aza-D-homo-5-alpha-androstano[3,2',5'-oxadiazole","","","","","","","","","","","","","","","","","","","","17a-Methyl-17a-aza-D-homo-5-.alpha.-androstano[3,4-c]- 1...","","CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCCN5C)C","AYIZBBPMNRJANA-HJQSIOKASA-N","364581",NA,"PDBC11569","631068","Present"
-"17alpha-Aza-D-homo-4-androsteno[17,16-c]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","17.alpha.-aza-D-homo-4-androsteno[17,16-c]pyrazol-3-one","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC5=C(N4)NN=C5)C","HLHKREHATSPYJP-CVOYVFRVSA-N","363163",NA,"PDBC11570","627764","Present"
-"17alpha-Aza-D-homo-5-androseno[16,17-d]isoxazol-3beta-yl acetate","","","","","","","","","","","","","","","","","","","","17.alpha.-Aza-D-homo-5-androseno[16,17-d]isoxazol-3.beta...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C(N4)ON=C5)C)C","OEKPCRMLGNUUCU-NPXXQDQYSA-N","363156",NA,"PDBC11571","627757","Present"
-"17alpha-Aza-D-homo-5-androsteno[17,16-c] pyrazol-3beta-yl acetate","","","","","","","","","","","","","","","","","","","","17.alpha.-Aza-D-homo-5-androsteno[17,16-c] pyrazol-3.bet...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C(N4)NN=C5)C)C","CMWJNGXQGRDRCC-NPXXQDQYSA-N","363157",NA,"PDBC11572","627758","Present"
-"17alpha-Hydroxyprogesterone hexanoate;17alpha-Hydroxyprogesterone caproate","","","","","","","","","","","","","","","","","","","","hydroxyprogesterone caproate (usan)","","CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C","DOMWKUIIPQCAJU-JKPPDDDBSA-N","5702072",NA,"PDBC11573","759612","Present"
-"17alpha-Methyl-4-androsteno[3,17-diol","","","","","","","","","","","","","","","","","","","","17.alpha.-Methyl-4-androsteno[3,2-c]isoxaole-4,17-diol","","CC12CCC3C(C1CCC2(C)O)CCC4=C(C5=NOC=C5CC34C)O","QULFQPVZXZYVKS-KPROAIRKSA-N","6711428",NA,"PDBC11574","626410","Present"
-"17beta-Acetoxy-2-methoxyestra-2,4-dione","","","","","","","","","","","","","","","","","","","","17.beta.-Acetoxy-2-methoxyestra-2,5(10)-dien-1,4-dione","","CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C(=O)C(=CC4=O)OC)C","HGZPWNBJDLYMLR-JEHFZXSLSA-N","401661",NA,"PDBC11575","715369","Present"
-"17beta-Acetoxy-4-androsteno[3,2-c]-isoxazol-4-ol","","","","","","","","","","","","","","","","","","","","17.beta.-Acetoxy-4-androsteno[3,2-c]-isoxazol-4-ol","","CC(=O)OC1CCC2C1(CCC3C2CCC4=C(C5=NOC=C5CC34C)O)C","DTHAAQPVIGTNAJ-AWUCESLQSA-N","364582",NA,"PDBC11576","631069","Present"
-"17beta-Hydroxy-2-methoxyestra-2,4-dione","","","","","","","","","","","","","","","","","","","","17.beta.-Hydroxy-2-methoxyestra-2,5(10)-dien-1,4-dione","","CC12CCC3C(C1CCC2O)CCC4=C3C(=O)C(=CC4=O)OC","XVFJSCSFPSFWMV-KYOGJALFSA-N","401660",NA,"PDBC11577","715368","Present"
-"17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol","","","","","","","","","","","","","","","","","","","","NSC69298","","CC12CCC3C(C1CCC2N(CCO)CCO)CC=C4C3(CCC(C4)O)C","IEQZBQLFRAVFHT-FQJIPJFPSA-N","250208",NA,"PDBC11578","69298","Present"
-"18'-Methylspiro[1,3-dioxolane-2,2'-8,18-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraene]-9'-one","","","","","","","","","","","","","","","","","","","","18'-Methylspiro[1,3-dioxolane-2,2'-8,18-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraene]-9'-one","","CN1C2=CC=CC=C2C3=C1C4(C5CCCCN5C(=O)C3)OCCO4","QWJZPEPCAXQADS-UHFFFAOYSA-N","393327",NA,"PDBC11579","694992","Present"
-"18,20-Dioxa-3,11,24-triazahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4,6,8,15,17(21),22-octaen-10-one","","","","","","","","","","","","","","","","","","","","18,20-Dioxa-3,11,24-triazahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4,6,8,15,17(21),22-octaen-10-one","","C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC6=C(C=C5N4)OCO6","JXCROARSMNESFK-UHFFFAOYSA-N","378229",NA,"PDBC11580","660032","Present"
-"18-(1-Hydroxyethylidene)yohimban-17-one","","","","","","","","","","","","","","","","","","","","1-(18-Hydroxy-1,3,11,12,14,15,16,19,20,21-decahydroyohimban-17-yl)ethanone","","CC(=O)C1=C(CC2CC3C4=C(CCN3CC2C1)C5=CC=CC=C5N4)O","CCYGCBSMKVNVHP-UHFFFAOYSA-N","372793",NA,"PDBC11581","648416","Present"
-"18-Acetoxy-6,7-dolabelladiene","","","","","","","","","","","","","","","","","","","","18-Acetoxy-6,10-dihydroxy-2,7-dolabelladiene","","CC1CC(C=C(CC(C2C(CCC2(C=C1)C)C(C)(C)OC(=O)C)O)C)O","YVXKBXZXMGSJNO-KYWRCKAPSA-N","5387258",NA,"PDBC11582","622254","Present"
-"18-Benzoyloxy-19-benzoylfuranotriptolide","","","","","","","","","","","","","","","","","","","","18-benzoyloxy-19-benzoylfuranotriptolide","","CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(OC(=C6C5CC7C4(C2O)O7)C(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)C","KVKIMCYNPUCLPB-FZIJBHDVSA-N","11365101",NA,"PDBC11583","747712","Present"
-"18-Chloro-16-methylsulfanyl-5,7-dioxa-13-thia-1,11,15,17-tetrazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,11,14(19),15,17-heptaen-20-ol","","","","","","","","","","","","","","","","","","","","18-Chloro-16-methylsulfanyl-5,7-dioxa-13-thia-1,11,15,17-tetrazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,11,14(19),15,17-heptaen-20-ol","","CSC1=NC2=C(C(N3C4=CC5=C(C=C4N=C3S2)OCO5)O)C(=N1)Cl","RKJDHQCMJGIWCL-UHFFFAOYSA-N","394386",NA,"PDBC11584","697786","Present"
-"18-Crown-6-niobium(V)pentachloride","","","","","","","","","","","","","","","","","","","","18-Crown-6-niobium(V)pentachloride","","C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[Nb+5]","INNJBBDVGCLCBX-UHFFFAOYSA-S","54598705",NA,"PDBC11585","632592","Present"
-"18-Crown-6-tantalum(V)pentachloride","","","","","","","","","","","","","","","","","","","","18-Crown-6-tantalum(V)pentachloride","","C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[Ta+5]","VXMXCLWBEYYHLB-UHFFFAOYSA-S","54608657",NA,"PDBC11586","632590","Present"
-"18-Crown-6-tetrachloroplatinum(IV)","","","","","","","","","","","","","","","","","","","","18-Crown-6-tetrachloroplatinum(IV)","","","","",NA,"PDBC11587","631895","Present"
-"18-Crown-6-vanadium(III)trichloride","","","","","","","","","","","","","","","","","","","","18-Crown-6-vanadium(III)trichloride","","C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[V]","NHAYJUPKKDCMNI-UHFFFAOYSA-S","54611322",NA,"PDBC11588","632600","Present"
-"18-Methoxy mycalamide A","","","","","","","","","","","","","","","","","","","","18-Methoxy mycalamide A","","CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(COC)O)(C)C)OC)OCO2)O)OC)C","MKPJCIPUEDARJC-WQRPFLISSA-N","6711420",NA,"PDBC11589","626169","Present"
-"18-Norestr-4-en-3-one,2-[(9,10-dihydro-10-oxo-4-acridinyl)carbonyl]hydrazone","","","","","","","","","","","","","","","","","","","","18-Norestr-4-en-3-one, 17-ethynyl-13-ethyl- 17.beta.-hyd...","","CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NNC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34","MMPFAQBCJMMYGH-SCFHEKCPSA-N","9572001",NA,"PDBC11590","684409","Present"
-"18-[(3S)-3-Aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.05,14.06,11.021,25]pentacosa-2(15),3,5(14),6,8,10,12,17(25),18,20,23-undecaene-23-carboxylic acid","","","","","","","","","","","","","","","","","","","","18-[(3S)-3-Aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.05,14.06,11.021,25]pentacosa-2(15),3,5(14),6,8,10,12,17(25),18,20,23-undecaene-23-carboxylic acid","","C1CN(CC1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=CC6=C5C=CC7=CC=CC=C76)F","ODUKWYWEUZJFKM-HNNXBMFYSA-N","400717",NA,"PDBC11591","713081","Present"
-"18-[3-(Trifluoromethyl)phenyl]-3,5,9,13,15-pentazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaen-8-amine","","","","","","","","","","","","","","","","","","","","6-Amino-1-aza-11-(3-trifluoromethyl)-11,12-dihydropyrimi...","","C1C(C2=C(C3=CN=CN=C31)N=C(C4=CN=CN=C42)N)C5=CC(=CC=C5)C(F)(F)F","JYTHLZCXJQIFAS-UHFFFAOYSA-N","155813840",NA,"PDBC11592","781926","Present"
-"19,33-Dimethoxy-13,28-dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene","","","","","","","","","","","","","","","","","","","","19,33-Dimethoxy-13,28-dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene","","CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C8=C(C=C7CCN6C)OCO8)OC)OC","VUZCEBRTLDDSDP-UHFFFAOYSA-N","364103",NA,"PDBC11593","629744","Present"
-"19-(2,4,6-Triphenylpyridin-1-ium-1-yl)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-ol","","","","","","","","","","","","","","","","","","","","19-(2,4,6-Triphenylpyridin-1-ium-1-yl)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-olate","","C1COCCOCC2=CC(=CC(=C2[O-])COCCOCCO1)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","COAIIDHOLUTVHX-UHFFFAOYSA-N","374132",NA,"PDBC11594","651559","Present"
-"19-Formylgeldanamycin tert-butylimine","","","","","","","","","","","","","","","","","","","","19-Formylgeldanamycin tert-butylimine","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C=NC(C)(C)C)C)OC)OC(=O)N)C)C)O)OC","MCWXLLZNLHMYJE-DPMRUDTMSA-N","135476731",NA,"PDBC11595","210753","Present"
-"19-Formylgeldanamycin-N',N'-pentamethylenehydrazone","","","","","","","","","","","","","","","","","","","","19-Formylgeldanamycin N-piperidinoimine","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C=NN3CCCCC3)C)OC)OC(=O)N)C)C)O)OC","KPFCMQVZSYJBFE-SUXKKJJASA-N","135468238",NA,"PDBC11596","255111","Present"
-"19-Hydroxy-8-O-methyltetrangulol","","","","","","","","","","","","","","","","","","","","Hydroxymethoxytetrangulol","","COC1=CC=CC2=C1C(=O)C3=C(C2=O)C4=C(C=C(C=C4C=C3)CO)O","IWDFTRSGZDSLDE-UHFFFAOYSA-N","379539",NA,"PDBC11597","664214","Present"
-"19-Oxo-1,4,7,10,13-pentaoxacyclotetracosane-18-carbonitrile","","","","","","","","","","","","","","","","","","","","19-Oxo-1,4,7,10,13-pentaoxacyclotetracosane-18-carbonitrile","","C1CCC(=O)C(CCCCOCCOCCOCCOCCOCC1)C#N","WFGWLIQLDDANDC-UHFFFAOYSA-N","362087",NA,"PDBC11598","625610","Present"
-"19H-Benzo[c]naphth[1',2':4,5]imidazo[1,2-f]acridin-19-one, 6,7,8,9,9a,10,11,12-octahydro-10-phenyl-","","","","","","","","","","","","","","","","","","","","7-Phenyl-18,29-diazaheptacyclo[16.11.0.01,6.08,17.011,16.019,28.022,27]nonacosa-8(17),11,13,15,19,22,24,26,28-nonaen-21-one","","C1CCC23C(C1)C(C4=C(N2C5=CC(=O)C6=CC=CC=C6C5=N3)C7=CC=CC=C7CC4)C8=CC=CC=C8","IXGQAFZANVLSEL-UHFFFAOYSA-N","378785",NA,"PDBC11599","661961","Present"
-"1H, 2,3,6,7-Tetrahydro-N-octyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1H,5H-Benzo[ij]quinolizin-9-amine, 2,3,6,7-tetrahydro-N-...","","CCCCCCCCNC1=CC2=C3C(=C1)CCCN3CCC2.Cl","QIFLPQGHSHVCKW-UHFFFAOYSA-N","54612305",NA,"PDBC11600","160121","Present"
-"1H, 7-Azido-2,3-dihydro-6-nitro-","","","","","","","","","","","","","","","","","","","","1H,5H-Benzo[ij]quinolizine-5-one, 7-azido-2,3-dihydro- 6...","","C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)[N+](=O)[O-])N=[N+]=[N-]","LUGLUKWBGJUZFA-UHFFFAOYSA-N","376996",NA,"PDBC11601","658215","Present"
-"1H,2-a]Pyrazolium, 4-(2-bromoethyl)-2,3,6,7-tetrahydro-, bromide","","","","","","","","","","","","","","","","","","","","1H,5H-Pyrazolo[1,2-a]pyrazolium, 4-(2-bromoethyl)- 2,3,6...","","C1CN2CCC[N+]2(C1)CCBr.[Br-]","FZLWRPDJLXQTHG-UHFFFAOYSA-M","365322",NA,"PDBC11602","632913","Present"
-"1H,3H,5H-Thiazolo[4,3-c][1,4]benzothiazepine-5,11(11aH)-dione","","","","","","","","","","","","","","","","","","","","3,3a-Dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzothiazepine-4,10-dione","","C1C2C(=O)SC3=CC=CC=C3C(=O)N2CS1","JMLYUSITCFDZQS-UHFFFAOYSA-N","375393",NA,"PDBC11603","655065","Present"
-"1H,3H-4,7-Epoxy-3a,7a-(methanothiomethano)isobenzofuran-1,3-dione, 4,7-dihydro-","","","","","","","","","","","","","","","","","","","","8,13-Dioxa-11-thiatetracyclo[4.3.3.12,5.01,6]tridec-3-ene-7,9-dione","","C1C23C4C=CC(C2(CS1)C(=O)OC3=O)O4","LPBLWAOIBKPJOX-UHFFFAOYSA-N","371432",NA,"PDBC11604","645652","Present"
-"1H,3H-Thiazolo(3,4-a)benzimidazole","","","","","","","","","","","","","","","","","","","","1,3-TB","","C1C2=NC3=CC=CC=C3N2CS1","CEZGFQCGXLQKCP-UHFFFAOYSA-N","65398",NA,"PDBC11605","624051","Present"
-"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-chloro-6-fluorophenyl)-","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-chloro-6- fluor...","","C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4Cl)F","NLNZMDGETZJKFI-UHFFFAOYSA-N","362004",NA,"PDBC11606","625483","Present"
-"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-fluorophenyl)-","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-fluorophenyl)-","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4F","HNWKWOBCUFHOSF-UHFFFAOYSA-N","362621",NA,"PDBC11607","626762","Present"
-"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-nitrophenyl)-","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4[N+](=O)[O-]","PSYDBXIUPWICOV-UHFFFAOYSA-N","366135",NA,"PDBC11608","634462","Present"
-"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-fluorophenyl)-","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-fluorophenyl)-","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)F","KBLDVUXZJWDYOM-UHFFFAOYSA-N","362620",NA,"PDBC11609","626761","Present"
-"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-methoxyphenyl)-","","COC1=CC=CC(=C1)C2N3C(=NC4=CC=CC=C43)CS2","KZLPIHZICDIAQU-UHFFFAOYSA-N","362000",NA,"PDBC11610","625479","Present"
-"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-nitrophenyl)-","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)[N+](=O)[O-]","JPYOBZYHHWLYHI-UHFFFAOYSA-N","366136",NA,"PDBC11611","634463","Present"
-"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(4-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(4-nitrophenyl)-","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)[N+](=O)[O-]","GPJQAAFNSXDREJ-UHFFFAOYSA-N","366137",NA,"PDBC11612","634464","Present"
-"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichlorophenyl)-","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichlorophenyl)-","","C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4Cl)Cl","NHXWVKNHPDSLDA-UHFFFAOYSA-N","362003",NA,"PDBC11613","625482","Present"
-"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-bromophenyl)-","","","","","","","","","","","","","","","","","","","","1-(2-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4Br","CTFKPXQJNIZGEL-UHFFFAOYSA-N","361993",NA,"PDBC11614","625472","Present"
-"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-methoxyphenyl)-","","COC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2","YQNODDHPJUHDFQ-UHFFFAOYSA-N","361181",NA,"PDBC11615","624053","Present"
-"1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione, tetrahydro-3,7-bis(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione...","","CC1=CC=C(C=C1)C2NC(=S)N3N2C(=S)NC3C4=CC=C(C=C4)C","IHMQGSNZMQUJGZ-UHFFFAOYSA-N","3003864",NA,"PDBC11616","174923","Present"
-"1H,6H-Diimidazo[1,5-b:1',5'-e][1,2,4,5]tetrazine-1,3,6,8(2H,7H)-tetrone, 2,7-bis(4-ethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","5,11-Bis(4-ethoxyphenyl)-1,2,5,7,8,11-hexazatricyclo[7.3.0.03,7]dodeca-2,8-diene-4,6,10,12-tetrone","","CCOC1=CC=C(C=C1)N2C(=O)C3=NN4C(=NN3C2=O)C(=O)N(C4=O)C5=CC=C(C=C5)OCC","PKVFFXYTUAKHIW-UHFFFAOYSA-N","381868",NA,"PDBC11617","669037","Present"
-"1H,6H-Diimidazo[1,5-b:1',5'-e][1,2,4,5]tetrazine-1,3,6,8(2H,7H)-tetrone, 2,7-bis(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","1H,6H-Diimidazo[1,5-b:1',5'-e][1,2,4,5]tetrazine-1,3,6,8(2H,7H)-tetrone, 2,7-bis(4-methylphenyl)-","","CC1=CC=C(C=C1)N2C(=O)C3=NN4C(=NN3C2=O)C(=O)N(C4=O)C5=CC=C(C=C5)C","WRJFILRNOGVZME-UHFFFAOYSA-N","381866",NA,"PDBC11618","669035","Present"
-"1H,6H-Diimidazo[1,5-b:1',5'-e][1,2,4,5]tetrazine-1,3,6,8(2H,7H)-tetrone, 2,7-dipropyl-","","","","","","","","","","","","","","","","","","","","1H,6H-Diimidazo[1,5-b:1',5'-e][1,2,4,5]tetrazine-1,3,6,8(2H,7H)-tetrone, 2,7-dipropyl-","","CCCN1C(=O)C2=NN3C(=NN2C1=O)C(=O)N(C3=O)CCC","YDLFAJBFYBLRNC-UHFFFAOYSA-N","381867",NA,"PDBC11619","669036","Present"
-"1H,8H-3a,8a-Propanocyclopent[a]indene-2,8,10(3H)-trione","","","","","","","","","","","","","","","","","","","","Tetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6-triene-8,11,14-trione","","C1C(=O)CC23C1(CC(=O)C2)C4=CC=CC=C4C3=O","FRCCAVXOZDUCAP-UHFFFAOYSA-N","365942",NA,"PDBC11620","634085","Present"
-"1H-1, 1-(p-Bromo-alpha-phenylbenzyl)hexahydro-4-methyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1H-1,4-Diazepine, 1-(p-bromo-.alpha.-phenylbenzyl)hexahy...","","CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Br.Cl","HPHGFXLNEPHRIW-UHFFFAOYSA-N","24200713",NA,"PDBC11621","400717","Present"
-"1H-1,2,3-Benzotriazole, 1,1'-(3,4,4-trichloro-2-nitro-1,3-butadienylidene)bis-","","","","","","","","","","","","","","","","","","","","1,1,2-Trichloro-3-nitro-4,4-bis(1H-benzotriazole-1-yl)-1,3-butadiene","","C1=CC=C2C(=C1)N=NN2C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3","IJMIRMDQNPQEDL-UHFFFAOYSA-N","379903",NA,"PDBC11622","665095","Present"
-"1H-1,2,4-Triazole-3-propanamide, 5-mercapto-N-(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","1H-1,2,4-Triazole-3-propanamide, 5-mercapto-N-(4-methylp...","","CC1=CC=C(C=C1)NC(=O)CCC2=NC(=S)NN2","DNYQYPCSUDAKPF-UHFFFAOYSA-N","3004071",NA,"PDBC11623","625822","Present"
-"1H-1,2-Diazaphosphole-4,5-dicarbonitrile, 2-[bis(2-chloroethyl)amino]-2,3-dihydro-, 2-oxide","","","","","","","","","","","","","","","","","","","","1H-1,3,2-Diazaphosphole-4,5-dicarbonitrile, 2-[bis(2-chl...","","C(CCl)N(CCCl)P1(=O)NC(=C(N1)C#N)C#N","FHMXUIRWTGYFMB-UHFFFAOYSA-N","318338",NA,"PDBC11624","254237","Present"
-"1H-1,5-Benzodiazepine, 2,3-dihydro-4-(4-morpholinyl)-2-phenyl-","","","","","","","","","","","","","","","","","","","","1H-1,5-Benzodiazepine, 2,3-dihydro-4-(4-morpholinyl)-2-phenyl-","","C1COCCN1C2=NC3=CC=CC=C3NC(C2)C4=CC=CC=C4","MQIYEOHPAQDLOE-UHFFFAOYSA-N","397535",NA,"PDBC11625","705843","Present"
-"1H-1,7-Phenanthrolin-4-one","","","","","","","","","","","","","","","","","","","","1H-1,7-Phenanthrolin-4-one","","C1=CNC2=CC=C3C(=O)C=CN=C3C2=C1","DTNQMIGCMBWBTR-UHFFFAOYSA-N","367728",NA,"PDBC11626","637665","Present"
-"1H-2-Benzopyran-1-one, 4-methyl-3-phenyl-","","","","","","","","","","","","","","","","","","","","4-methyl-3-phenylisocoumarin","","CC1=C(OC(=O)C2=CC=CC=C12)C3=CC=CC=C3","UMAAMPIWXTXNEU-UHFFFAOYSA-N","404298",NA,"PDBC11627","720480","Present"
-"1H-5,8a-Propanoquinolin-7(8H)-one, hexahydro-1-(3-hydroxypropyl)-10-methyl-","","","","","","","","","","","","","","","","","","","","2-(3-Hydroxypropyl)-12-methyl-2-azatricyclo[5.3.3.01,6]tridecan-9-one","","CC1CC2CC(=O)CC3(C1)C2CCCN3CCCO","YCNYNASSMKILCM-UHFFFAOYSA-N","361474",NA,"PDBC11628","624511","Present"
-"1H-Azepine-1-carbothioic acid, [1-(3-methylpyrazinyl)ethylidene]hydrazide","","","","","","","","","","","","","","","","","","","","1H-Azepine-1-carbothioic acid, hexahydro-, [1-(3-methylp...","","CC1=NC=CN=C1C(=NNC(=S)N2CCCCCC2)C","OMUIGEYISHKSJE-SFQUDFHCSA-N","5378367",NA,"PDBC11629","359708","Present"
-"1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-","","","","","","","","","","","","","","","","","","","","1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(die...","","CCN(CC)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N","QDFFNSUDGUZZSJ-UHFFFAOYSA-N","328773",NA,"PDBC11630","308848","Present"
-"1H-Benz[de]isoquinoline-1, 2,2'-[1,2-ethanediylbis(imino-3,1-propanediyl)]bis[5,8-dinitro-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1H-Benz[de]isoquinoline-1,3(2H)-dione, 2,2'-[1,2- ethane...","","C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CCCNCCNCCCN4C(=O)C5=CC(=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Cl","BKKSKIIDTWHAPV-UHFFFAOYSA-N","355134",NA,"PDBC11631","615803","Present"
-"1H-Benz[e]indole-3-carboxylic acid,3-dihydro-5-hydroxy-1H-benz[e]indol-3-yl]-1,5-dioxopentyl]amino]-1-(chloromethyl)-2,3-dihydro-5-hydroxy-, 1,1-dimethylethyl ester","","","","","","","","","","","","","","","","","","","","1H-Benz[e]indole-3-carboxylic acid, 7-[[5-[7-(acetylamin...","","CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O","OPQNJWHDOOQHIJ-UHFFFAOYSA-N","400180",NA,"PDBC11632","711693","Present"
-"1H-Benz[g]indol-5-ol, 2-phenyl","","","","","","","","","","","","","","","","","","","","1H-Benz[g]indol-5-ol, 2-phenyl","","C1=CC=C(C=C1)C2=CC3=C(N2)C4=CC=CC=C4C(=C3)O","CPMFHDMMFAPLJH-UHFFFAOYSA-N","371327",NA,"PDBC11633","645431","Present"
-"1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-methyl-2-pyrimidinyl)-","","","","","","","","","","","","","","","","","","","","1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-methyl-2-pyrimidinyl)-","","CC1=C(N=C(N=C1Cl)NC2=NC3=CC=CC=C3N2)Cl","OCWKWOATJXIYOB-UHFFFAOYSA-N","387150",NA,"PDBC11634","680664","Present"
-"1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-phenyl-2-pyrimidinyl)-","","","","","","","","","","","","","","","","","","","","1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-phenyl-2-pyrimidinyl)-","","C1=CC=C(C=C1)C2=C(N=C(N=C2Cl)NC3=NC4=CC=CC=C4N3)Cl","XXLLIKXMZDUCPE-UHFFFAOYSA-N","387149",NA,"PDBC11635","680663","Present"
-"1H-Benzimidazol-2-yl(2-pyridinyl)acetonitrile","","","","","","","","","","","","","","","","","","","","1H-Benzimidazol-2-yl(2-pyridinyl)acetonitrile","","C1=CC=C2C(=C1)NC(=N2)C(C#N)C3=CC=CC=N3","VFXXZVZZYCCKAQ-UHFFFAOYSA-N","366007",NA,"PDBC11636","634180","Present"
-"1H-Benzimidazol-2-yl(7-hydroxy-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-ylidene)acetonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-(1H-Benzimidazol-2-yl)-2-(5-methyl-7-oxo-3-phenyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-ylidene)acetonitrile","","CC1=NC2=C(C(=O)N1)SC(=C(C#N)C3=NC4=CC=CC=C4N3)N2C5=CC=CC=C5","WRAZPHCLFUOTNS-STZFKDTASA-N","135499333",NA,"PDBC11637","652045","Present"
-"1H-Benzimidazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene","","","","","","","","","","","","","","","","","","","","1H-Benzimidazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene","","CC(=C1C=CC=CN1O)N=NC2=NC3=CC=CC=C3N2","SSESEINREBIOOT-BPXADIFKSA-N","135426818",NA,"PDBC11638","720191","Present"
-"1H-Benzimidazole, 4,7-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-","","","","","","","","","","","","","","","","","","","","1H-Benzimidazole, 4,7-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-","","CN1C=NC(=C1SC2=NC3=C(C=CC(=C3N2)OC)OC)[N+](=O)[O-]","RBPSRRJYVLSVAH-UHFFFAOYSA-N","364606",NA,"PDBC11639","631134","Present"
-"1H-Benzimidazole, 5,6-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-","","","","","","","","","","","","","","","","","","","","1H-Benzimidazole, 5,6-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-","","CN1C=NC(=C1SC2=NC3=CC(=C(C=C3N2)OC)OC)[N+](=O)[O-]","OGFOFSFYCAMQBV-UHFFFAOYSA-N","364605",NA,"PDBC11640","631133","Present"
-"1H-Benzimidazole, 5-amino-6-fluoro-2-methyl-","","","","","","","","","","","","","","","","","","","","1H-Benzimidazole, 5-amino-6-fluoro-2-methyl-","","CC1=NC2=C(N1)C=C(C(=C2)N)F","GHVXBOIOCHKSHV-UHFFFAOYSA-N","366240",NA,"PDBC11641","634581","Present"
-"1H-Benzimidazole, 6-chloro-1-(2-chloroethyl)-2-(chloromethyl)-","","","","","","","","","","","","","","","","","","","","1H-Benzimidazole, 6-chloro-1-(2-chloroethyl)-2-(chlorome...","","C1=CC2=C(C=C1Cl)N(C(=N2)CCl)CCCl","AKNZHAUTXUWGGO-UHFFFAOYSA-N","315496",NA,"PDBC11642","240755","Present"
-"1H-Benzimidazole,6-dichloro-2-(tetrahydro-2-pyranyl)-, monohydrochloride","","","","","","","","","","","","","","","","","","","","1H-Benzimidazole, 5,6-dichloro-2-(tetrahydro- 2-pyranyl)...","","C1CCOC(C1)C2=NC3=CC(=C(C=C3N2)Cl)Cl.Cl","RZLVDDZMMIEWFF-UHFFFAOYSA-N","388070",NA,"PDBC11643","682534","Present"
-"1H-Benzimidazole-1-sulfonamide, N-[(2-thiazolylamino)carbonyl]-","","","","","","","","","","","","","","","","","","","","1H-Benzimidazole-1-sulfonamide, N-[(2-thiazolylamino)carbonyl]-","","C1=CC=C2C(=C1)N=CN2S(=O)(=O)NC(=O)NC3=NC=CS3","ROZYCXTTXBXJCM-UHFFFAOYSA-N","397675",NA,"PDBC11644","706037","Present"
-"1H-Benzimidazole-4-carboxamide, hydrochloride","","","","","","","","","","","","","","","","","","","","1H-Benzimidazole-4-carboxamide, N-[2-(dimethylamino)ethy...","","CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=NC=C3.Cl","WZKPVUJVPQLZRU-UHFFFAOYSA-N","386523",NA,"PDBC11645","678932","Present"
-"1H-Benzo(a)carbazole-1,4-dione, 8,11-dimethyl-","","","","","","","","","","","","","","","","","","","","1H-Benzo(a)carbazole-1,4-dione, 8,11-dimethyl-","","CC1=CC2=C(C=C1)N(C3=C2C=CC4=C3C(=O)C=CC4=O)C","XDWNNOGYJWNAAV-UHFFFAOYSA-N","378581",NA,"PDBC11646","661221","Present"
-"1H-Benzo[a]carbazole-1, 11-(2-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","1H-Benzo[a]carbazole-1,4(11H)-dione, 11-(2-nitrophenyl)-","","C1=CC=C2C(=C1)C3=C(N2C4=CC=CC=C4[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O","YIBYUJOLZABPHQ-UHFFFAOYSA-N","397482",NA,"PDBC11647","705524","Present"
-"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-","","","","","","","","","","","","","","","","","","","","1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-","","CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O","IUPDQKLAXUTBLE-UHFFFAOYSA-N","261066",NA,"PDBC11648","92937","Present"
-"1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-","","","","","","","","","","","","","","","","","","","","1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-","","COC1=CC2=C(C=C1)NC3=C2C=CC4=C3C(=O)C=CC4=O","LETGFRZUYFTHIV-UHFFFAOYSA-N","369538",NA,"PDBC11649","641395","Present"
-"1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-11-methyl-","","","","","","","","","","","","","","","","","","","","1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-11- methyl-","","CN1C2=C(C=C(C=C2)OC)C3=C1C4=C(C=C3)C(=O)C=CC4=O","NJELFFLROCNKMT-UHFFFAOYSA-N","369539",NA,"PDBC11650","641396","Present"
-"1H-Benzo[f]pyrrolo[1,2-a]indole-11-carbonitrile, 2,3,5,10,11,11a-hexahydro-5,10-dioxo-11-(1-oxo-1,3-dithiolan-2-yl)-","","","","","","","","","","","","","","","","","","","","1H-Benzo[f]pyrrolo[1,2-a]indole-11-carbonitrile, 2,3,5,1...","","C1CC2C(C3=C(N2C1)C(=O)C4=CC=CC=C4C3=O)(C#N)C5SCCS5=O","IPHUNVUCWFGDGB-UHFFFAOYSA-N","363542",NA,"PDBC11651","628507","Present"
-"1H-Benzotriazolium,4-diamino-6-ethyl-5-pyrimidinyl)-1-hydroxy-2-phenyl-, hydroxide, inner salt","","","","","","","","","","","","","","","","","","","","1H-Benzotriazolium, 6-(2,4-diamino-6-ethyl-5-pyrimidinyl...","","CCC1=C(C(=NC(=N1)N)N)C2=CC3=[N+](N(N=C3C=C2)C4=CC=CC=C4)[O-]","ZVHVJEWJNSDXDB-UHFFFAOYSA-N","135502406",NA,"PDBC11652","382054","Present"
-"1H-Cyclopenta[b]pyridine-3-carbonitrile, 1-hexopyranosyl-2,5,6,7-tetrahydro-4-(4-methoxyphenyl)-2-thioxo-","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile","","COC1=CC=C(C=C1)C2=C(C(=S)N(C3=C2CCC3)C4C(C(C(C(O4)CO)O)O)O)C#N","ALSHYYMPYTWOHG-UHFFFAOYSA-N","381284",NA,"PDBC11653","667720","Present"
-"1H-Cyclopenta[b]pyridine-3-carbonitrile, 4-(4-chlorophenyl)-1-hexopyranosyl-2,5,6,7-tetrahydro-2-thioxo-","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile","","C1CC2=C(C1)N(C(=S)C(=C2C3=CC=C(C=C3)Cl)C#N)C4C(C(C(C(O4)CO)O)O)O","AAFKCAQQVXSMPT-UHFFFAOYSA-N","381285",NA,"PDBC11654","667721","Present"
-"1H-Dipyrazolo[1,3'-e]pyrimidine-3,4,7-triamine, 6-[(4-bromophenyl)azo]-","","","","","","","","","","","","","","","","","","","","1H-Dipyrazolo[1,5-a:4',3'-e]pyrimidine-3,4,7-triamine, 6...","","C1=CC(=CC=C1N=NC2=C3N=C(C4=C(NN=C4N3N=C2N)N)N)Br","WYGLQHIDFTVCHM-UHFFFAOYSA-N","135489789",NA,"PDBC11655","673841","Present"
-"1H-Imidazo(4,5-f)quinoline, 2-methyl-","","","","","","","","","","","","","","","","","","","","3H-Imidazo[4,5-f]quinoline, 2-methyl","","CC1=NC2=C(N1)C=CC3=C2C=CC=N3","IUQHRMZIDYAPEW-UHFFFAOYSA-N","150368",NA,"PDBC11656","625168","Present"
-"1H-Imidazo[1,2-b]pyrazole-7-carbonitrile","","","","","","","","","","","","","","","","","","","","F2198-7954","","C1=CN2C(=N1)C(=CN2)C#N","JFDUSQYSPLGVQB-UHFFFAOYSA-N","354306",NA,"PDBC11657","605469","Present"
-"1H-Imidazo[4,5-c]pyridin-4-amine,1-(2-deoxy-b-D-erythro-pentofuranosyl)-","","","","","","","","","","","","","","","","","","","","5-(4-Aminoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol","","C1C(C(OC1N2C=NC3=C2C=CN=C3N)CO)O","KMQPIRJQPAVGJL-UHFFFAOYSA-N","360801",NA,"PDBC11658","623217","Present"
-"1H-Imidazo[4,5-d]pyridazin-4-amine","","","","","","","","","","","","","","","","","","","","2-Aza-3-deazaadenine","","C1=C2C(=C(N=N1)N)N=CN2","AQXVOWQDVXWUAX-UHFFFAOYSA-N","5469585",NA,"PDBC11659","690569","Present"
-"1H-Imidazo[4,5-d]pyridazin-4-ylhydrazine","","","","","","","","","","","","","","","","","","","","1H-Imidazo[4,5-d]pyridazin-4-ylhydrazine","","C1=C2C(=C(N=N1)NN)N=CN2","YCDRRVUBKZEHNP-UHFFFAOYSA-N","5469590",NA,"PDBC11660","690574","Present"
-"1H-Imidazole, 1-(3,4,5-trimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","1-(3,4,5-trimethoxyphenyl)-1H-imidazole","","COC1=CC(=CC(=C1OC)OC)N2C=CN=C2","MJSGLWFDTOTSBO-UHFFFAOYSA-N","10977369",NA,"PDBC11661","733435","Present"
-"1H-Imidazole, 1-ethyl-5-(1H-imidazol-2-ylthio)-2-methyl-4-nitro-","","","","","","","","","","","","","","","","","","","","1H-Imidazole, 1-ethyl-5-(1H-imidazol-2-ylthio)-2-methyl-4-nitro-","","CCN1C(=NC(=C1SC2=NC=CN2)[N+](=O)[O-])C","HIFDGCIGEWMDTG-UHFFFAOYSA-N","364616",NA,"PDBC11662","631148","Present"
-"1H-Imidazole, 1-methyl-2-nitro-5-vinyl-","","","","","","","","","","","","","","","","","","","","1h-imidazole, 1-methyl-2-nitro-5-vinyl-","","CN1C(=CN=C1[N+](=O)[O-])C=C","NZPWAZZKZMQLTL-UHFFFAOYSA-N","93215",NA,"PDBC11663","294743","Present"
-"1H-Imidazole, 1-methyl-4-nitro-5-[(1-phenyl-1H-imidazol-2-yl)thio]-","","","","","","","","","","","","","","","","","","","","1H-Imidazole, 1-methyl-4-nitro-5-[(1-phenyl-1H-imidazol-2-yl)thio]-","","CN1C=NC(=C1SC2=NC=CN2C3=CC=CC=C3)[N+](=O)[O-]","ZLAGQHINXCNPNT-UHFFFAOYSA-N","364617",NA,"PDBC11664","631149","Present"
-"1H-Imidazole, 1-methyl-5-[[1-(1-naphthalenyl)-1H-imidazol-2-yl]thio]-4-nitro-","","","","","","","","","","","","","","","","","","","","1H-Imidazole, 1-methyl-5-[[1-(1-naphthalenyl)-1H-imidazol-2-yl]thio]-4-nitro-","","CN1C=NC(=C1SC2=NC=CN2C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]","WXWNAVCCLITBEE-UHFFFAOYSA-N","364618",NA,"PDBC11665","631150","Present"
-"1H-Imidazole, 4,5-dihydro-2-(4-nitrophenyl)-1-nitroso-","","","","","","","","","","","","","","","","","","","","1H-Imidazole, 4,5-dihydro-2-(4-nitrophenyl)-1-nitroso-","","C1CN(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])N=O","BRUCWFJVHUKGDC-UHFFFAOYSA-N","370635",NA,"PDBC11666","643977","Present"
-"1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-","","","","","","","","","","","","","","","","","","","","1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-","","C1=CN(C(=N1)[N+](=O)[O-])CC(=O)N(CCO)CCO","KGFGBSRVWKBWIC-UHFFFAOYSA-N","92390",NA,"PDBC11667","314055","Present"
-"1H-Imidazole-1-ethanol, 4,5-dihydro-2-tridecyl-","","","","","","","","","","","","","","","","","","","","2-imidazoline-1-ethanol, 2-tridecyl- (8ci)","","CCCCCCCCCCCCCC1=NCCN1CCO","KUHILYGRHCIQJN-UHFFFAOYSA-N","64675",NA,"PDBC11668","57618","Present"
-"1H-Imidazole-2-imine,5-dihydro-N-(4-methylphenyl)-5-phenylmethylene-","","","","","","","","","","","","","","","","","","","","1H-Imidazole-2-imine, 4-chloro-2,5-dihydro- N-(4-methylp...","","CC1=CC=C(C=C1)NC2=NC(=CC3=CC=CC=C3)C(=N2)Cl","IEJNELASGAOHNB-RVDMUPIBSA-N","20835551",NA,"PDBC11669","684379","Present"
-"1H-Imidazole-4-carbonitrile, 5-amino-1-methyl-2-(methylthio)-","","","","","","","","","","","","","","","","","","","","1H-Imidazole-4-carbonitrile, 5-amino-1-methyl-2-(methylthio)-","","CN1C(=C(N=C1SC)C#N)N","HAOBVJVRQKKRRW-UHFFFAOYSA-N","381400",NA,"PDBC11670","667944","Present"
-"1H-Imidazole-4-carboxamide, 2,3-dihydro-2-oxo-1,3-bis(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","1H-Imidazole-4-carboxamide, 2,3-dihydro-2-oxo-1,3-bis(phenylmethyl)-","","C1=CC=C(C=C1)CN2C=C(N(C2=O)CC3=CC=CC=C3)C(=O)N","OXHZBWBDUHCVRO-UHFFFAOYSA-N","369309",NA,"PDBC11671","641063","Present"
-"1H-Imidazole-4-carboxamide, 5-amino-1-[2-[4-[11-[(6,9-dihydro-3H-purin-6-yl)amino]-1-oxoundecyl]-1-piperazinyl]ethyl]-2-methyl-","","","","","","","","","","","","","","","","","","","","5-Amino-1-[2-[4-[11-(6,7-dihydro-3H-purin-6-ylamino)undecanoyl]piperazin-1-yl]ethyl]-2-methylimidazole-4-carboxamide","","CC1=NC(=C(N1CCN2CCN(CC2)C(=O)CCCCCCCCCCNC3C4=C(NC=N3)N=CN4)N)C(=O)N","KTULRZGHBYYTSL-UHFFFAOYSA-N","362826",NA,"PDBC11672","627183","Present"
-"1H-Imidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-1,3-bis(phenylmethyl)-, ethyl ester","","","","","","","","","","","","","","","","","","","","1H-Imidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-1,3-bis(phenylmethyl)-, ethyl ester","","CCOC(=O)C1=CN(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3","ICKSSEMZTADIKX-UHFFFAOYSA-N","369310",NA,"PDBC11673","641064","Present"
-"1H-Imidazole-5-one,5-dihydro-1-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","1H-Imidazole-5-one, 2-(2-chloro-5-nitrophenyl)- 4-[[4-[b...","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)OC","RCIVNQFJYXHCEQ-VEILYXNESA-N","6477148",NA,"PDBC11674","640080","Present"
-"1H-Imidazole;imidazole-1-sulfonic acid","","","","","","","","","","","","","","","","","","","","1h-Imidazole-1-sulfonic acid-1h-imidazole(1:1)","","C1=CN=CN1.C1=CN(C=N1)S(=O)(=O)O","QWURXWCYNQFMQU-UHFFFAOYSA-N","275085",NA,"PDBC11675","121603","Present"
-"1H-Indazol-3-amine","","","","","","","","","","","","","","","","","","","","3-indazolamine","","C1=CC=C2C(=C1)C(=NN2)N","YDTDKKULPWTHRV-UHFFFAOYSA-N","13399",NA,"PDBC11676","44677","Present"
-"1H-Indazole, 3-methoxy-1-[(2-methoxyphenyl)methyl]-5-nitro-","","","","","","","","","","","","","","","","","","","","1H-indazole, 3-methoxy-1-[(2-methoxyphenyl)methyl]- 5-ni...","","COC1=CC=CC=C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OC","YXSOAIBTQVDWGA-UHFFFAOYSA-N","386342",NA,"PDBC11677","678125","Present"
-"1H-Indene-1,3(2H)-dione, 2-[(2,4,6-trihydroxyphenyl)methylene]-","","","","","","","","","","","","","","","","","","","","1H-Indene-1,3(2H)-dione, 2-[(2,4,6-trihydroxyphenyl)methylene]-","","C1=CC=C2C(=C1)C(=O)C(=CC3=C(C=C(C=C3O)O)O)C2=O","PCONGAYMHWGQAX-UHFFFAOYSA-N","369409",NA,"PDBC11678","641179","Present"
-"1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]phenylmethyl]-","","","","","","","","","","","","","","","","","","","","1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]pheny...","","CC1=CC=CC=C1N=C(C2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4","ZCLPAQYHDXAQFS-UHFFFAOYSA-N","335118",NA,"PDBC11679","343378","Present"
-"1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(1H-indol-3-yl)-","","","","","","","","","","","","","","","","","","","","2-Hydroxy-2-(1H-indol-3-yl)-1H-indene-1,3(2H)-dione","","C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=CNC4=CC=CC=C43)O","RROGHTXKVLKJMG-UHFFFAOYSA-N","368089",NA,"PDBC11680","638431","Present"
-"1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester","","","","","","","","","","","","","","","","","","","","1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo- 6-methyl...","","CC1=CC2=C(CC(C2=O)C(=O)OC)C=C1","JSODNIIBTFVQMN-UHFFFAOYSA-N","382672",NA,"PDBC11681","670320","Present"
-"1H-Indene-2-carboxylic acid, 2,3-dihydro-2-(phenylmethyl)-, methyl ester","","","","","","","","","","","","","","","","","","","","1H-Indene-2-carboxylic acid, 2,3-dihydro- 2-(phenylmethy...","","COC(=O)C1(CC2=CC=CC=C2C1)CC3=CC=CC=C3","IRNRGSSCNBZJJR-UHFFFAOYSA-N","382692",NA,"PDBC11682","670340","Present"
-"1H-Indene-2-carboxylic acid, 2,3-dihydro-2-[(2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","1H-Indene-2-carboxylic acid, 2,3-dihydro-2-[(2,3- dihydr...","","COC(=O)C1(CC2=CC=CC=C2C1=O)CC3=CC4=C(CCC4)C=C3","SUTQCHYMFJGXOS-UHFFFAOYSA-N","382679",NA,"PDBC11683","670327","Present"
-"1H-Indene-4-carboxylic acid, 6-[(1,2,3,5,6,7-hexahydro-1-oxo-s-indacen-2-yl)methyl]-2,3-dihydro-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 6-[(3-oxo-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]indane-4-carboxylate","","COC(=O)C1=CC(=CC2=C1CCC2)CC3CC4=C(C3=O)C=C5CCCC5=C4","PHOXEIVVUWMYIC-UHFFFAOYSA-N","382686",NA,"PDBC11684","670334","Present"
-"1H-Indol-2-yl(2-(3-pyridinyl)-1,3-dithian-2-yl)methanol","","","","","","","","","","","","","","","","","","","","1H-Indol-2-yl(2-(3-pyridinyl)-1,3-dithian-2-yl)methanol","","C1CSC(SC1)(C2=CN=CC=C2)C(C3=CC4=CC=CC=C4N3)O","MTRFKEHYLUTZOG-UHFFFAOYSA-N","392518",NA,"PDBC11685","693034","Present"
-"1H-Indol-3-amine,5-dihydro-1H-imidazol-2-yl)-2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-benzofuranyl]ethenyl]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","1H-Indol-3-amine, 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-...","","C1CN=C(N1)C2=CC3=C(C=C2)OC(=C3)C=CC4=C(C5=C(N4)C=C(C=C5)C6=NCCN6)N.Cl","CMBDGGNJKRQNBA-WGCWOXMQSA-N","54600682",NA,"PDBC11686","357756","Present"
-"1H-Indol-3-yl diphenyl phosphate","","","","","","","","","","","","","","","","","","","","1H-Indol-3-yl diphenyl phosphate","","C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CNC4=CC=CC=C43","JXMDQSPEXGIMNW-UHFFFAOYSA-N","403817",NA,"PDBC11687","719332","Present"
-"1H-Indol-3-yl(morpholin-4-yl)methanethione","","","","","","","","","","","","","","","","","","","","STL426492","","C1COCCN1C(=S)C2=CNC3=CC=CC=C32","LPNFNROQKIYLPG-UHFFFAOYSA-N","391442",NA,"PDBC11688","690646","Present"
-"1H-Indol-3-yl-(4-phenylpiperazin-1-yl)methanethione","","","","","","","","","","","","","","","","","","","","1H-Indol-3-yl-(4-phenylpiperazin-1-yl)methanethione","","C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CNC4=CC=CC=C43","QTSOPXNYURBTDB-UHFFFAOYSA-N","391444",NA,"PDBC11689","690648","Present"
-"1H-Indol-6-amine,3-dihydro-1-[(5-methoxy-2-benzofuranyl)sulfonyl]-","","","","","","","","","","","","","","","","","","","","1H-Indol-6-amine, 3-(chloromethyl)-2,3-dihydro- 1-[(5-me...","","COC1=CC2=C(C=C1)OC(=C2)S(=O)(=O)N3CC(C4=C3C=C(C=C4)N)CCl","MZVMCVHDIYTKHQ-UHFFFAOYSA-N","393691",NA,"PDBC11690","696124","Present"
-"1H-Indole, 3,3'-methylenebis[5-fluoro-","","","","","","","","","","","","","","","","","","","","3,3'-di(5,5'-difluoroindolyl)methane","","C1=CC2=C(C=C1F)C(=CN2)CC3=CNC4=C3C=C(C=C4)F","BEBUKYWOUXBVEE-UHFFFAOYSA-N","9882204",NA,"PDBC11691","734100","Present"
-"1H-Indole, 3,3'-methylenebis[5-methoxy-","","","","","","","","","","","","","","","","","","","","3,3'-di(5,5'-dimethoxyindolyl)methane","","COC1=CC2=C(C=C1)NC=C2CC3=CNC4=C3C=C(C=C4)OC","JTPGESPWPBXUEF-UHFFFAOYSA-N","9944370",NA,"PDBC11692","731013","Present"
-"1H-Indole, 3-(2-nitroethenyl)-5-(phenylmethoxy)-","","","","","","","","","","","","","","","","","","","","1H-Indole, 3-(2-nitroethenyl)-5-(phenylmethoxy)- (9CI)","","C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C=C[N+](=O)[O-]","VHFAFPNKRNJZPV-HJWRWDBZSA-N","5357227",NA,"PDBC11693","73392","Present"
-"1H-Indole, 3-chloro-2-methyl-1-(phenylsulfonyl)-","","","","","","","","","","","","","","","","","","","","1H-Indole, 3-chloro-2-methyl-1-(phenylsulfonyl)-","","CC1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)Cl","QIULZNQRTYZHHA-UHFFFAOYSA-N","374834",NA,"PDBC11694","653261","Present"
-"1H-Indole, 5-bromo-3-[2-(2-pyridinyl)-4-thiazolyl]-","","","","","","","","","","","","","","","","","","","","1H-Indole, 5-bromo-3-[2-(2-pyridinyl)-4-thiazolyl]-","","C1=CC=NC(=C1)C2=NC(=CS2)C3=CNC4=C3C=C(C=C4)Br","KOYYFXGVZHRNHN-UHFFFAOYSA-N","397551",NA,"PDBC11695","705871","Present"
-"1H-Indole,3'-(2,5-piperazinediyl)bis(6-bromo-, (+-)-, dihydrobromide","","","","","","","","","","","","","","","","","","","","1H-Indole, 3,3'-(2,5-piperazinediyl)bis(6-bromo-, (+-)-,...","","C1C(NCC(N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br.Br","DKTUWFDNGCKDFQ-GZJHNZOKSA-N","54608887",NA,"PDBC11696","678530","Present"
-"1H-Indole-1-acetamide, N,N-diethyl-2-methyl-","","","","","","","","","","","","","","","","","","","","STK150881","","CCN(CC)C(=O)CN1C(=CC2=CC=CC=C21)C","MPRMWLVHRHZLML-UHFFFAOYSA-N","381970",NA,"PDBC11697","669280","Present"
-"1H-Indole-1-acetic acid","","","","","","","","","","","","","","","","","","","","Indole-1-acetic acid","","C1=CC=C2C(=C1)C=CN2CC(=O)O","WQJFIWXYPKYBTO-UHFFFAOYSA-N","90448",NA,"PDBC11698","75866","Present"
-"1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester","","","","","","","","","","","","","","","","","","","","1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester","","COC(=O)N1C2=CC=CC=C2C(=C1CBr)Br","PWHZKTGUSVYGTC-UHFFFAOYSA-N","374849",NA,"PDBC11699","653275","Present"
-"1H-Indole-2,3-dione, 1-(3,4-dichlorobenzoyl)-","","","","","","","","","","","","","","","","","","","","1H-Indole-2,3-dione, 1-(3,4-dichlorobenzoyl)-","","C1=CC=C2C(=C1)C(=O)C(=O)N2C(=O)C3=CC(=C(C=C3)Cl)Cl","FBPMAYHQPQGFHB-UHFFFAOYSA-N","362456",NA,"PDBC11700","626403","Present"
-"1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2, 3-dihydro-2-methyl-, methyl ester","","","","","","","","","","","","","","","","","","","","1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2,3-dihy...","","CC(=O)OC1=C(C=C2C(=C1)CC(N2)(C)C(=O)OC)OC(=O)C","ROHZHZUPUYTOST-UHFFFAOYSA-N","334839",NA,"PDBC11701","341956","Present"
-"1H-Indole-3-acetamide, 2-[3-methoxy-3-methyl-1-butenyl]-N-[2-[1-(triphenylmethyl)-1H-imidazol-4-yl]ethyl]-","","","","","","","","","","","","","","","","","","","","1H-Indole-3-acetamide, 2-[3-methoxy-3-methyl-1-butenyl]-...","","CC(C)(C=CC1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC","BBJLJOMWQNJXLB-WJTDDFOZSA-N","5471025",NA,"PDBC11702","707438","Present"
-"1H-Indole-3-methanol, 1-[(4-chlorophenyl)methyl]-","","","","","","","","","","","","","","","","","","","","1H-Indole-3-methanol, 1-[(4-chlorophenyl)methyl]-","","C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)CO","WOUBLGRNDINCJL-UHFFFAOYSA-N","11821732",NA,"PDBC11703","741909","Present"
-"1H-Indole-3-methanol, 1-methoxy-","","","","","","","","","","","","","","","","","","","","1H-Indole-3-methanol, 1-methoxy-","","CON1C=C(C2=CC=CC=C21)CO","AQEZKEWAYCAHAX-UHFFFAOYSA-N","398553",NA,"PDBC11704","708489","Present"
-"1H-Isoindol-1-one, 2,3-dihydro-2-(4-hydroxyphenyl)-","","","","","","","","","","","","","","","","","","","","1H-Isoindol-1-one, 2,3-dihydro-2-(4-hydroxyphenyl)-","","C1C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)O","NDERTONLGOTDER-UHFFFAOYSA-N","379549",NA,"PDBC11705","664225","Present"
-"1H-Isoindole-1, 2-[4[(5,6-dimethoxy-8-quinolinyl)amino]pentyl]-,","","","","","","","","","","","","","","","","","","","","1H-Isoindole-1,3(2H)-dione, 2-[4[(5,6-dimethoxy-8-quinol...","","CC(CCCN1C(=O)C2=CC=CC=C2C1=O)NC3=CC(=C(C4=C3N=CC=C4)OC)OC.OP(=O)(O)O","SGJRSIJUAXYVAN-UHFFFAOYSA-N","45028331",NA,"PDBC11706","742239","Present"
-"1H-Isoindole-1, 5,5'-dithiobis[6-chlorohexahydro-2-[(1,1,2,2-tetrachloroethyl)thio-","","","","","","","","","","","","","","","","","","","","1H-Isoindole-1,3(2H)-dione, 5,5'-dithiobis[6-chlorohexah...","","C1C2C(CC(C1SSC3CC4C(CC3Cl)C(=O)N(C4=O)SC(C(Cl)Cl)(Cl)Cl)Cl)C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl","BCRRQTMYMQMOAZ-UHFFFAOYSA-N","334486",NA,"PDBC11707","339866","Present"
-"1H-Isoindole-1,3(2H)-dione, 5-amino-2-hydroxy-","","","","","","","","","","","","","","","","","","","","1H-Isoindole-1,3(2H)-dione, 5-amino-2-hydroxy-","","C1=CC2=C(C=C1N)C(=O)N(C2=O)O","UYEPIVQISLENOL-UHFFFAOYSA-N","364532",NA,"PDBC11708","630954","Present"
-"1H-Isoindole-1,3(2H)-dione,2-[[(6-methoxy-2-benzothiazolyl)amino]methyl]-","","","","","","","","","","","","","","","","","","","","2-(((6-Methoxy-1,3-benzothiazol-2-yl)amino)methyl)-1H-isoindole-1,3(2H)-dione","","COC1=CC2=C(C=C1)N=C(S2)NCN3C(=O)C4=CC=CC=C4C3=O","RROCFEIMNKZUNH-UHFFFAOYSA-N","286039",NA,"PDBC11709","143722","Present"
-"1H-Isoindole-1-acetonitrile, 1-(4-chlorophenyl)-2,3-dihydro-3-oxo-","","","","","","","","","","","","","","","","","","","","1H-Isoindole-1-acetonitrile, 1-(4-chlorophenyl)-2,3-dihydro-3-oxo-","","C1=CC=C2C(=C1)C(=O)NC2(CC#N)C3=CC=C(C=C3)Cl","FZWARFMCVUIAIA-UHFFFAOYSA-N","385844",NA,"PDBC11710","677242","Present"
-"1H-NAPHTH(1,2-d)IMIDAZOLE, 2-AMINO-","","","","","","","","","","","","","","","","","","","","LS-95228","","C1=CC=C2C(=C1)C=CC3=C2N=C(N3)N","PZUJQFOCMARCSE-UHFFFAOYSA-N","56812",NA,"PDBC11711","663633","Present"
-"1H-Naphth[2, 4,9-dihydro-1,2-dimethyl-3-(2-methylpropyl)-4,9-dioxo-, iodide","","","","","","","","","","","","","","","","","","","","1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1,2-dimethyl-3-...","","CC1=[N+](C2=C(N1CC(C)C)C(=O)C3=CC=CC=C3C2=O)C.[I-]","KUFZQQLYCHGYNI-UHFFFAOYSA-M","24188900",NA,"PDBC11712","80466","Present"
-"1H-Naphth[2, 4,9-dihydro-1,2-dimethyl-4,9-dioxo-3-(phenylmethyl)-, iodide","","","","","","","","","","","","","","","","","","","","1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1,2-dimethyl-4,...","","CC1=[N+](C2=C(N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C.[I-]","TXXSILHORNWUFQ-UHFFFAOYSA-M","24188899",NA,"PDBC11713","80465","Present"
-"1H-Naphth[2, 4,9-dihydro-1-isopropyl-3-methyl-4,9-dioxo-2-styryl-iodide","","","","","","","","","","","","","","","","","","","","1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-isopropyl-3-m...","","CC(C)N1C(=[N+](C2=C1C(=O)C3=CC=CC=C3C2=O)C)C=CC4=CC=CC=C4.[I-]","KIZCBPDDWLVNPS-IERUDJENSA-M","54605678",NA,"PDBC11714","80469","Present"
-"1H-Naphth[2,3-d]imidazole, 2-[(4-chlorophenyl)methyl]-","","","","","","","","","","","","","","","","","","","","2-(4-chloro-benzyl)-1H-naphth[2,3-d]imidazole","","C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC=C(C=C4)Cl","PVBAXBYVEKRZIV-UHFFFAOYSA-N","405626",NA,"PDBC11715","722996","Present"
-"1H-Naphth[2,9-dione, 2-methyl-3-[(4-nitro phenyl)methyl]-1-phenyl-, bromide","","","","","","","","","","","","","","","","","","","","1H-Naphth[2,3-d]imidazole-4,9-dione, 2-methyl-3-[(4-nitr...","","CC1=[N+](C2=C(N1C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)CC5=CC=C(C=C5)[N+](=O)[O-].[Br-]","XBMLGWCNBUPYMC-UHFFFAOYSA-M","24186625",NA,"PDBC11716","52745","Present"
-"1H-Naphtho[1,8a-c]furan-3(5H)-one, 7-[2-(acetyloxy)-2-(3-furanyl)ethyl]-6,6a,7,8,9,10-hexahydro-7,8-dimethyl-","","","","","","","","","","","","","","","","","","","","[2-(7,8-Dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl)-1-(furan-3-yl)ethyl] acetate","","CC1CCC23COC(=O)C2=CCCC3C1(C)CC(C4=COC=C4)OC(=O)C","DZAYTXGDCMMRGZ-UHFFFAOYSA-N","368920",NA,"PDBC11717","640325","Present"
-"1H-Phenanthro[9, 4,11-dimethoxy-","","","","","","","","","","","","","","","","","","","","1H-Phenanthro[9,10-d]imidazole, 4,11-dimethoxy-","","COC1=CC=CC2=C3C=CC=C(C3=C4C(=C21)NC=N4)OC","YHVDSLJVICOSOM-UHFFFAOYSA-N","395745",NA,"PDBC11718","700545","Present"
-"1H-Phenothiazine-3-acetamide, 2,3,4,10-tetrahydro-N-(2-methyl-5-nitrophenyl)-a,4-dioxo-","","","","","","","","","","","","","","","","","","","","N-(2-Methyl-5-nitrophenyl)-2-oxo-2-(4-oxo-1,2,3,10-tetrahydrophenothiazin-3-yl)acetamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)C2CCC3=C(C2=O)SC4=CC=CC=C4N3","VZAOPRINSHMOPB-UHFFFAOYSA-N","373474",NA,"PDBC11719","649829","Present"
-"1H-Phenothiazine-3-acetamide, N-(2,4-dimethylphenyl)-2,3,4,5a,9a,10-hexahydro-2,2-dimethyl-a,4-dioxo-","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethyl-4-oxo-3,5a,9a,10-tetrahydro-1H-phenothiazin-3-yl)-N-(2,4-dimethylphenyl)-2-oxoacetamide","","CC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=O)C3=C(CC2(C)C)NC4C=CC=CC4S3)C","HTTONUYUSXNQTO-UHFFFAOYSA-N","373476",NA,"PDBC11720","649831","Present"
-"1H-Phenothiazine-3-acetamide, N-(2,5-dimethylphenyl)-2,3,4,10-tetrahydro-2,2-dimethyl-a,4-dioxo-","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethyl-4-oxo-3,10-dihydro-1H-phenothiazin-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)C2C(=O)C3=C(CC2(C)C)NC4=CC=CC=C4S3","BSSVDPAGLPDRAK-UHFFFAOYSA-N","373480",NA,"PDBC11721","649835","Present"
-"1H-Phenothiazine-3-acetamide, N-[2,6-bis(1-methylethyl)phenyl]-2,3,4,10-tetrahydro-a,4-dioxo-","","","","","","","","","","","","","","","","","","","","N-[2,6-Di(propan-2-yl)phenyl]-2-oxo-2-(4-oxo-1,2,3,10-tetrahydrophenothiazin-3-yl)acetamide","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C2CCC3=C(C2=O)SC4=CC=CC=C4N3","HCOPFRMPZDCQJQ-UHFFFAOYSA-N","371961",NA,"PDBC11722","646779","Present"
-"1H-Purin-6-amine, N-nitroso-N-(3-methyl-2-butenyl)-","","","","","","","","","","","","","","","","","","","","1H-Purin-6-amine, N-nitroso-N-(3-methyl-2-butenyl)-","","CC(=CCN(C1=NC=NC2=C1NC=N2)N=O)C","GPFBJOQUAMDIRH-UHFFFAOYSA-N","495897",NA,"PDBC11723","672180","Present"
-"1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-","","","","","","","","","","","","","","","","","","","","1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-","","CN1C=NC(=C1[Se]C2=NC=NC3=C2NC=N3)[N+](=O)[O-]","YUQADPHDBUOACB-UHFFFAOYSA-N","3879067",NA,"PDBC11724","252628","Present"
-"1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[(4-oxido-4-morpholinyl)methyl]-","","","","","","","","","","","","","","","","","","","","1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[(4-oxido-4-morpholinyl)methyl]-","","CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[N+]3(CCOCC3)[O-]","IQIQWAIYWWAZAT-UHFFFAOYSA-N","374798",NA,"PDBC11725","653044","Present"
-"1H-Purine-6-carboxamide, 2-ethyl-2,9-dihydro-2-methyl-9-[(1-methylethylidene)amino]-","","","","","","","","","","","","","","","","","","","","2-Ethyl-9-(isopropylideneamino)-2-methyl-1H-purine-6-carboxamide","","CCC1(NC2=C(C(=N1)C(=O)N)N=CN2N=C(C)C)C","MIYLUPPIFJNQHE-UHFFFAOYSA-N","135409229",NA,"PDBC11726","670263","Present"
-"1H-Purine-6-carboxamide, 9-amino-2,9-dihydro-2,2-dimethyl-","","","","","","","","","","","","","","","","","","","","1H-Purine-6-carboxamide, 9-amino-2,9-dihydro-2,2-dimethyl-","","CC1(NC2=C(C(=N1)C(=O)N)N=CN2N)C","XTVGJFZHAGVDMZ-UHFFFAOYSA-N","135409228",NA,"PDBC11727","670262","Present"
-"1H-Pyrazol-1-yl-N-(1H-pyrazol-1-ylmethyl)-N-(2-pyridinylmethyl)methanamine","","","","","","","","","","","","","","","","","","","","1H-Pyrazol-1-yl-N-(1H-pyrazol-1-ylmethyl)-N-(2-pyridinylmethyl)methanamine","","C1=CC=NC(=C1)CN(CN2C=CC=N2)CN3C=CC=N3","RWCFSEZWSPFQCT-UHFFFAOYSA-N","361764",NA,"PDBC11728","625030","Present"
-"1H-Pyrazol-5-ol, 1-[(2-chlorophenoxy)acetyl]-4,5-dihydro-3,5-diphenyl-","","","","","","","","","","","","","","","","","","","","1H-Pyrazol-5-ol, 1-[(2-chlorophenoxy)acetyl]-4,5-dihydro-3,5-diphenyl-","","C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=CC=C3Cl)C4=CC=CC=C4","YOYPQYYIQSJLJH-UHFFFAOYSA-N","367874",NA,"PDBC11729","638040","Present"
-"1H-Pyrazole, 4-chloro-1-(5-chloro-2-nitrophenyl)-3,5-dimethyl-","","","","","","","","","","","","","","","","","","","","1H-Pyrazole, 4-chloro-1-(5-chloro-2-nitrophenyl)-3,5-dimethyl-","","CC1=C(C(=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C)Cl","PHHBEDYSERXPLT-UHFFFAOYSA-N","382940",NA,"PDBC11730","670823","Present"
-"1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)-5-phenyl-","","","","","","","","","","","","","","","","","","","","1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(7-hydroxy- ...","","CC1=CC(=O)OC2=C1C=CC(=C2C3=NN(C(C3)C4=CC=CC=C4)C=O)O","QLTDYGIOVYGJHR-UHFFFAOYSA-N","135429970",NA,"PDBC11731","628694","Present"
-"1H-Pyrazole-1-carboximidamide, dihydrochloride","","","","","","","","","","","","","","","","","","","","1H-Pyrazole-1-carboximidamide, 4-[[(aminoiminomethyl)hyd...","","C1=C(C=NN1C(=N)N)C=NN=C(N)N.Cl","CTPSKPNSTAAWIN-QVBTUFJSSA-N","5771696",NA,"PDBC11732","607794","Present"
-"1H-Pyrazole-3-one,3-dihydro-1,5-dimethyl-2-phenyl-","","","","","","","","","","","","","","","","","","","","1H-Pyrazole-3-one, 4-[[[4-[bis(2-cyanoethyl)amino]phenyl...","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)N(CCC#N)CCC#N","ZOESOGSBSIEMBN-UHFFFAOYSA-N","359417",NA,"PDBC11733","620280","Present"
-"1H-Pyrazole-5-carboxylic acid,5-dihydro-1,3-diphenyl-, potassium salt","","","","","","","","","","","","","","","","","","","","1H-Pyrazole-5-carboxylic acid, 4,5-dihydro-1,3-diphenyl-...","","C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.[K+]","RNKSDEIAWMFUAX-UHFFFAOYSA-N","54610718",NA,"PDBC11734","239397","Present"
-"1H-Pyrazole-5-propanamide, 4-ethyl-1-methyl-N,N-bis(phenylmethyl)-3-propyl-","","","","","","","","","","","","","","","","","","","","1H-Pyrazole-5-propanamide, 4-ethyl-1-methyl-N,N-bis(phenylmethyl)-3-propyl-","","CCCC1=NN(C(=C1CC)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C","SCSPTDHDSPBXHJ-UHFFFAOYSA-N","360345",NA,"PDBC11735","622393","Present"
-"1H-Pyrazolo[3, 4-amino-1-(p-chlorobenzyl)-","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4-d]pyrimidine, 4-amino-1-(p-chlorobenzyl)-","","C1=CC(=CC=C1CN2C3=NC=NC(=C3C=N2)N)Cl","BHHBIEOLRILLOB-UHFFFAOYSA-N","247946",NA,"PDBC11736","63629","Present"
-"1H-Pyrazolo[3,4-b]quinoxalin-3-amine","","","","","","","","","","","","","","","","","","","","Cdk1/5 Inhibitor","","C1=CC2=NC3=C(NN=C3N=C2C=C1)N","DWHVZCLBMTZRQM-UHFFFAOYSA-N","438981",NA,"PDBC11737","693868","Present"
-"1H-Pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","Pyrazoloadenine","","C1=NNC2=NC=NC(=C21)N","LHCPRYRLDOSKHK-UHFFFAOYSA-N","75420",NA,"PDBC11738","1393","Present"
-"1H-Pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-(2-propynyl)-","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-(2-propynyl)-","","CSC1=NC=NC2=C1C=NN2CC#C","LZIZCEMJICXOAR-UHFFFAOYSA-N","396580",NA,"PDBC11739","703069","Present"
-"1H-Pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-6-amine, 4,5,6-trihydro-5-imino-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-6-amine, 4,...","","COC1=C(C=C(C=C1)C2C3=C(N=CN(C3=N)N)OC4=C2C(=NN4C5=CC=CC=C5)C6=CC=CC=C6)OC","TYVMABLKRAPPID-UHFFFAOYSA-N","391832",NA,"PDBC11740","691419","Present"
-"1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-(1-oxo-3-(1-piperidinyl)propyl)-1-(3-pyridinyl)-","","","","","","","","","","","","","","","","","","","","1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-[1-oxo-3-(1...","","C1CCN(CC1)CCC(=O)N2CCC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35","QSBRTZBQSHLYRI-UHFFFAOYSA-N","365605",NA,"PDBC11741","633406","Present"
-"1H-Pyrido[2,2,4][triazepin-1-one, 2,3-dihydro-4-[(morpholinoacetyl)amino]-","","","","","","","","","","","","","","","","","","","","1H-Pyrido[2,3-e][1,2,4][triazepin-1-one, 2,3-dihydro-4- ...","","C1COCCN1CC(=O)NC2=NC3=C(C=CC=N3)C(=O)NN2","DKQAGPLBXLAEHV-UHFFFAOYSA-N","379034",NA,"PDBC11742","662796","Present"
-"1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2-[4-(4-phenyl-1-piperazinyl)butyl]-9-methyl-","","","","","","","","","","","","","","","","","","","","1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2-[4-(4-...","","CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCN(CC4)C5=CC=CC=C5","VCJFHCNTZJFPPV-UHFFFAOYSA-N","365677",NA,"PDBC11743","633530","Present"
-"1H-Pyrimido[4,5-b]quinoline-2,4-dithione","","","","","","","","","","","","","","","","","","","","1H-Pyrimido[4,5-b]quinoline-2,4-dithione","","C1=CC=C2C(=C1)C=C3C(=N2)NC(=S)NC3=S","BLAIYDTVGVUIMQ-UHFFFAOYSA-N","5472868",NA,"PDBC11744","722222","Present"
-"1H-Pyrrole, 3,4-bis[(E)-2-cyanoethenyl]-1-[(4-methylphenyl)sulfonyl]-","","","","","","","","","","","","","","","","","","","","1H-Pyrrole, 3,4-bis[(E)-2-cyanoethenyl]-1-[(4-methylphenyl)sulfonyl]-","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C=CC#N)C=CC#N","KVVBLFSWIGOMAK-ZUVMSYQZSA-N","5466840",NA,"PDBC11745","644197","Present"
-"1H-Pyrrole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1-(phenylmethyl)-2-(2-thienyl)-","","","","","","","","","","","","","","","","","","","","1H-Pyrrole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1-(phenylmethyl)-2-(2-thienyl)-","","C1OC2=C(O1)C=C(C=C2)C3=C(N(C(=C3)C4=CC=C(C=C4)Br)CC5=CC=CC=C5)C6=CC=CS6","KLYOMVGWVKCGRD-UHFFFAOYSA-N","376700",NA,"PDBC11746","657744","Present"
-"1H-Pyrrole, 3-cyclohexyl-4-(2-cyclohexyl-1-nitroethenyl)-2-[(4-methylphenyl)sulfonyl]-","","","","","","","","","","","","","","","","","","","","1H-Pyrrole, 3-cyclohexyl-4-(2-cyclohexyl-1-nitroethenyl)...","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CN2)C(=CC3CCCCC3)[N+](=O)[O-])C4CCCCC4","KVDQZTZZWPUXNM-XQNSMLJCSA-N","5469462",NA,"PDBC11747","688531","Present"
-"1H-Pyrrole-1-butanamide, N-[5-[[[5-[[[5-[[[3-(dimethylamino)propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-2,3-bis(hydroxymethyl)-","","","","","","","","","","","","","","","","","","","","4-[4-[2,3-Bis(hydroxymethyl)pyrrol-1-yl]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCCN4C=CC(=C4CO)CO","SLUKQHRPTGAJFO-UHFFFAOYSA-N","384021",NA,"PDBC11748","673131","Present"
-"1H-Pyrrole-2,5-dione, 3-beta-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","showdomycin","","C1=C(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","FFLUMYXAPXARJP-UHFFFAOYSA-N","261131",NA,"PDBC11749","93047","Present"
-"1H-Pyrrole-2-carboxamide,3,5,11a-tetrahydro-7-methoxy-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]butyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-, (11aS)-","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-2-carboxamide, N-[3-(dimethylamino)propyl]-1-...","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC","JJTVXTNABVMUMY-DEOSSOPVSA-N","398964",NA,"PDBC11750","709358","Present"
-"1H-Pyrrole-2-carboxylic acid, 1-(1H-pyrrol-1-ylcarbonyl)-, methyl ester","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-2-carboxylic acid, 1-(1H-pyrrol-1-ylcarbonyl)-, methyl ester","","COC(=O)C1=CC=CN1C(=O)N2C=CC=C2","YQMHQXFIFFTEBQ-UHFFFAOYSA-N","359023",NA,"PDBC11751","619380","Present"
-"1H-Pyrrole-2-carboxylic acid, 1-[[1-[(2,5-dihydro-1H-pyrrol-2-yl)carbonyl]-2,5-dihydro-1H-pyrrol-2-yl]carbonyl]-2,5-dihydro-","","","","","","","","","","","","","","","","","","","","1-[1-(2,5-Dihydro-1H-pyrrole-2-carbonyl)-2,5-dihydropyrrole-2-carbonyl]-2,5-dihydropyrrole-2-carboxylic acid","","C1C=CC(N1)C(=O)N2CC=CC2C(=O)N3CC=CC3C(=O)O","WXLLNXVAJINDCK-UHFFFAOYSA-N","381711",NA,"PDBC11752","668569","Present"
-"1H-Pyrrole-2-carboxylic acid, ethyl ester, (E)-","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-2-carboxylic acid, 4-(3-ethoxy-3-oxo-1-propen...","","CCOC(=O)C=CC1=CNC(=C1)C(=O)OCC","ZXSDYTWAFDUANC-AATRIKPKSA-N","5383640",NA,"PDBC11753","177988","Present"
-"1H-Pyrrole-3,4-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","AS-39138","","C1=C(C(=CN1)C(=O)O)C(=O)O","JFVDNCRMBALUKH-UHFFFAOYSA-N","361843",NA,"PDBC11754","625159","Present"
-"1H-Pyrrole-3,4-dimethanol, a3,a4,2,5-tetraphenyl-","","","","","","","","","","","","","","","","","","","","[4-[Hydroxy(phenyl)methyl]-2,5-diphenyl-1H-pyrrol-3-yl]-phenyl-methanol","","C1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=CC=C3)C(C4=CC=CC=C4)O)C(C5=CC=CC=C5)O","VZLFGWLQHXCHJA-UHFFFAOYSA-N","363020",NA,"PDBC11755","627564","Present"
-"1H-Pyrrole-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-","","CC1=CC=C(C=C1)N2C=C(C(=C2N)C#N)C3=CC=C(C=C3)Cl","YDTIFVONFDASLJ-UHFFFAOYSA-N","381120",NA,"PDBC11756","667382","Present"
-"1H-Pyrrolizine-6,7-dimethanol, 5-(3,4-dichlorophenyl)-2,...","","","","","","","","","","","","","","","","","","","","1H-Pyrrolizine-6,7-dimethanol, 5-(3,4-dichlorophenyl)-2,...","","","","",NA,"PDBC11757","352752","Present"
-"1H-Pyrrolo[3, 1-(2-deoxy-B-D-ribofuranosyl)-","","","","","","","","","","","","","","","","","","","","1H-Pyrrolo[3,2-c]pyridine, 1-(2-deoxy-B-D-ribofuranosyl)-","","C1C(C(OC1N2C=CC3=C2C=CN=C3)CO)O","YEWRIVWHPQXYGF-UHFFFAOYSA-N","363430",NA,"PDBC11758","628341","Present"
-"1H-Pyrrolo[3, 1-methyl-2-(1-phenylethenyl)","","","","","","","","","","","","","","","","","","","","1H-Pyrrolo[3,2-c]pyridin-4(5-H)-one, 1-methyl-2-(1-pheny...","","CN1C2=C(C=C1C(=C)C3=CC=CC=C3)C(=O)NC=C2","VDDJUGOGFUGQGC-UHFFFAOYSA-N","360609",NA,"PDBC11759","622868","Present"
-"1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-2-(2-furanyl)-7,9b-dihydro-7-(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","12-(4-Chlorophenyl)-4-(furan-2-yl)-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene","","CC1=CC=C(C=C1)N2C=C(C3=C2N=CN4C3N=C(N4)C5=CC=CO5)C6=CC=C(C=C6)Cl","GYFMTXCXBKJHRE-UHFFFAOYSA-N","381125",NA,"PDBC11760","667387","Present"
-"1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-7,9b-dihydro-2-methyl-7-(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","12-(4-Chlorophenyl)-4-methyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene","","CC1=CC=C(C=C1)N2C=C(C3=C2N=CN4C3N=C(N4)C)C5=CC=C(C=C5)Cl","CBZMMDNGDTVCAU-UHFFFAOYSA-N","381123",NA,"PDBC11761","667385","Present"
-"1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-7,9b-dihydro-7-(4-methylphenyl)-2-(2-thienyl)-","","","","","","","","","","","","","","","","","","","","12-(4-Chlorophenyl)-10-(4-methylphenyl)-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene","","CC1=CC=C(C=C1)N2C=C(C3=C2N=CN4C3N=C(N4)C5=CC=CS5)C6=CC=C(C=C6)Cl","GNLUCKCNLMLWJS-UHFFFAOYSA-N","381124",NA,"PDBC11762","667386","Present"
-"1H-Tetrazol-5-amine, N-methyl-1-beta-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","1H-Tetrazol-5-amine, N-methyl-1-.beta.-D-ribofuranosyl-","","CNC1=NN=NN1C2C(C(C(O2)CO)O)O","UCKXZCWXRRSJMW-UHFFFAOYSA-N","371130",NA,"PDBC11763","645090","Present"
-"1H-Tetrazole-1-ethanol, 5-amino-","","","","","","","","","","","","","","","","","","","","5-Amino-1-(2-hydroxyethyl)tetrazole","","C(CO)N1C(=NN=N1)N","MDLBOPYCJZSTMS-UHFFFAOYSA-N","323178",NA,"PDBC11764","282032","Present"
-"1M-548S","","","","","","","","","","","","","","","","","","","","1M-548S","","C1CN2C(=O)C3=CC=CC=C3C2(N1)C4=CC=C(C=C4)F","HDPOBIOWQBVXAS-UHFFFAOYSA-N","388688",NA,"PDBC11765","683712","Present"
-"1N-[3-(7-Methoxy-5,3,5,11,11a-hexahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy)propyl]-2-[8-benzyloxy-7-metoxy-5-oxo-(11aS)-1H,2H,3H,5H-bezo[e]pyrrolo[1,2-a][1,4]diazepin-2-yliden]acetamide","","","","","","","","","","","","","","","","","","","","1N-[3-(7-methoxy-5,11-dioxo-2,3,5,11,11a-hexahydro-1H-be...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)OCCCNC(=O)C=C4CC5C=NC6=CC(=C(C=C6C(=O)N5C4)OC)OCC7=CC=CC=C7","ZIFSFITYFDYQKI-HRICNGLHSA-N","24202799",NA,"PDBC11766","725982","Present"
-"1N-[4-Chloro-2-(2-chloro benzoyl)phenyl]-2-{4-[3-(4-0x0-2-phenyl-4-H-3-chromenyloxy)p ropyl}hexahydro-1-pyrazinyl]acetamide","","","","","","","","","","","","","","","","","","","","1N-[4-chloro-2-(2-chloro benzoyl)phenyl]-2-{4-[3-(4-0x0-...","","C1CN(CCN1CCCOC2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4)CC(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6Cl","ULIQALYPWBJSJA-UHFFFAOYSA-N","24205570",NA,"PDBC11767","736178","Present"
-"1N-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(3-{4-(3-(4-flu orophenyl)-3-oxo-(E)-1-propenyl]-2-methoxyphenoxy}propyl)hex ahydro-1-pyrazinyl]acetamide","","","","","","","","","","","","","","","","","","","","1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(3-{4-(3-(4...","","COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)F)OCCCN3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5Cl","OJHVNDYXOSBOPX-VIZOYTHASA-N","25030563",NA,"PDBC11768","740387","Present"
-"1N-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-2-[7-methoxy-5-oxo (11a s)-2,5,11 a tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy]ac etamide","","","","","","","","","","","","","","","","","","","","1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[7-methoxy-5-o...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5Cl","LGKFASWGMBAFRK-UHFFFAOYSA-N","24205565",NA,"PDBC11769","736168","Present"
-"1N-[Chloro-2-(2-chloro benzoyl)phenyl]-2-(4-{[2-tert-butyl) imidazo[1,2-a] pyridin-8-yl]corbonyl}piperazino)acetamide","","","","","","","","","","","","","","","","","","","","1N-[chloro-2-(2-chloro benzoyl)phenyl]-2-(4-{ [2-tert-bu...","","CC(C)(C)C1=CN2C=CC=C(C2=N1)C(=O)N3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5Cl","BYCSNYSLYPDMQH-UHFFFAOYSA-N","25030564",NA,"PDBC11770","743120","Present"
-"1N-{2-[7-Methoxy-5-oxo-(11aS)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy]ethyl}-2-[8-benzyloxy-7-methoxy-5-oxo-(11aS)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrro lo[1,2-a][1,4]diazepin-2-yliden]acetamide.","","","","","","","","","","","","","","","","","","","","1N-{2-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-tetrahydro-1H-be...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCNC(=O)C=C4CC5C=NC6=CC(=C(C=C6C(=O)N5C4)OC)OCC7=CC=CC=C7","FAXFZRWLMDMLIN-SPONOFJTSA-N","10032352",NA,"PDBC11771","728035","Present"
-"1NVW4ER6VP","","","","","","","","","","","","","","","","","","","","1NVW4ER6VP","","CC1=CN2C(=NC(=C2N=O)C3=CC=CC=C3)C=C1","ZQKIQHFLDSUHIJ-UHFFFAOYSA-N","339979",NA,"PDBC11772","369061","Present"
-"1R, Perchlorate","","","","","","","","","","","","","","","","","","","","1R,5R-8-(E)-Benzylidene-5-(3-hydroxyphenyl)-2-methyl-2-a...","","CN1CCC2(CC1C(=CC3=CC=CC=C3)C(=O)C2)C4=CC(=CC=C4)O.OCl(=O)(=O)=O","SCFMWKWWDWLGMY-CHDCOBPDSA-N","45489958",NA,"PDBC11773","678344","Present"
-"1R,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one, hydrobromide","","","","","","","","","","","","","","","","","","","","1R,5R-8-(E)-(3,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl...","","CN1CCC2(CC1C(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)C2)C4=CC(=CC=C4)O.Br","FMEWFJXMDBEOSS-SFDONHHISA-N","45489960",NA,"PDBC11774","678346","Present"
-"1S, Perchlorate","","","","","","","","","","","","","","","","","","","","1S,5S-8-(E)-Benzylidene-5-(3-hydroxyphenyl)-2-methyl-2-a...","","CN1CCC2(CC1C(=CC3=CC=CC=C3)C(=O)C2)C4=CC(=CC=C4)O.OCl(=O)(=O)=O","SCFMWKWWDWLGMY-QCXVAGDHSA-N","45489959",NA,"PDBC11775","678345","Present"
-"1S,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one, hydrobromide","","","","","","","","","","","","","","","","","","","","1S,5S-8-(E)-(3,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl...","","CN1CCC2(CC1C(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)C2)C4=CC(=CC=C4)O.Br","FMEWFJXMDBEOSS-ISNCNZHLSA-N","45489961",NA,"PDBC11776","678347","Present"
-"1X-0886","","","","","","","","","","","","","","","","","","","","1X-0886","","COC1=CC2=C(C=C1)NC=C2C=C3C4=CC=CC=C4NC3=O","OEJQBEJOXJYPRT-NVNXTCNLSA-N","6516560",NA,"PDBC11777","740939","Present"
-"1[(4-Benzyloxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-dio late","","","","","","","","","","","","","","","","","","","","1[(4-benzyloxyCarbonyl)piperazine-1-yl]diazene-1-ium-1,2...","","C1CN(CCN1C(=O)OCC2=CC=CC=C2)[N+](=NOC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[O-]","IQCWTYLWIFKIDP-CLCOLTQESA-N","11626484",NA,"PDBC11778","731700","Present"
-"1[(4-n-Butyloxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-di olate","","","","","","","","","","","","","","","","","","","","1[(4-n-butyloxyCarbonyl)piperazine-1-yl]diazene-1-ium-1,...","","CCCCOC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]","YAIVARQXVANOGR-PGMHBOJBSA-N","11495269",NA,"PDBC11779","731701","Present"
-"1a,2,7,7a-Tetrahydronaphtho[2,3-b]oxirene-2,7-diol","","","","","","","","","","","","","","","","","","","","1a,2,7,7a-Tetrahydronaphtho[2,3-b]oxirene-2,7-diol","","C1=CC=C2C(C3C(O3)C(C2=C1)O)O","UBZIRRGOXVDJQB-UHFFFAOYSA-N","380689",NA,"PDBC11780","666393","Present"
-"1a-Bromo-3,6-dimethoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-2,7-dione","","","","","","","","","","","","","","","","","","","","1a-Bromo-3,6-dimethoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-2,7-dione","","COC1=C2C(=O)C3CC3(C(=O)C2=C(C=C1)OC)Br","JBWKGXGTUYAQNA-UHFFFAOYSA-N","361664",NA,"PDBC11781","624882","Present"
-"1alpha,2alpha:3alpha,4alpha:5beta,6beta:7beta,8beta-Tetraepoxycyclooctane","","","","","","","","","","","","","","","","","","","","NSC705028///NSC705029","","C12C3C(O3)C4C(O4)C5C(C1O2)O5","HJMUDJLOEPXOET-UHFFFAOYSA-N","397375",NA,"PDBC11782","705028///705029","Present"
-"1beta,5alpha-Dihydroxy-3beta,4beta-(isopropylidenedioxy)cyclohexane-1-methanol","","","","","","","","","","","","","","","","","","","","NSC624354","","CC1(OC2CC(CC(C2O1)O)(CO)O)C","CZCDWUBGKAXDNN-BDNRQGISSA-N","6711371",NA,"PDBC11783","624354","Present"
-"1beta-Polygamain","","","","","","","","","","","","","","","","","","","","1.beta.-polygamain","","C1C2COC(=O)C2C(C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6","SCTKDFCQZSBHEE-NXXSPTCGSA-N","386603",NA,"PDBC11784","679051","Present"
-"1h-Naphtho[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","J3.635.157H","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=CN3","ABVGDXLCJRFCOD-UHFFFAOYSA-N","225436",NA,"PDBC11785","14771","Present"
-"1h-Pyrazolo[3,4-d]pyrimidine-3-carbothioamide,4,6-bis(methylthio)-","","","","","","","","","","","","","","","","","","","","1h-Pyrazolo[3,4-d]pyrimidine-3-carbothioamide,4,6-bis(methylthio)-","","CSC1=NC(=NC2=NNC(=C21)C(=S)N)SC","HTSSLXOUAQXTGD-UHFFFAOYSA-N","3786326",NA,"PDBC11786","649181","Present"
-"1st Precursor Intermediate to TDP 665759","","","","","","","","","","","","","","","","","","","","1st Precursor Intermediate to TDP 665759","","CC(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(C=C4)Cl","XYUHIXKFZFMJSI-XUSGNXJCSA-N","155805350",NA,"PDBC11787","756877","Present"
-"2 [5(Furfuryl-2-yl.1,1-dicyanoethylene)p-phenylene]benzothiazole","","","","","","","","","","","","","","","","","","","","2 [5(furfuryl- 2- yl.1,1 - dicyanoethylene)p - phenylene...","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(O4)C=C(C#N)C#N","QFXCZOWOVFKMGU-UHFFFAOYSA-N","24203186",NA,"PDBC11788","727092","Present"
-"2'(Methyl sulfonyl)-17alpha-aza-D-homo-5-androsteno[17,16-c]pyrazol-3beta-yl acetate","","","","","","","","","","","","","","","","","","","","2'(methyl sulfonyl)-17.alpha.-aza-D-homo-5-androsteno[17...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C(N4)N(N=C5)S(=O)(=O)C)C)C","JRKRLCJOXVCTJU-QPJCPEQFSA-N","383423",NA,"PDBC11789","671762","Present"
-"2', 3'-Dideoxy-tiazofurin","","","","","","","","","","","","","","","","","","","","2', 3'-Dideoxy-tiazofurin","","C1CC(OC1CO)C2=NC(=CS2)C(=O)N","BOSXZRVOIJIWQV-UHFFFAOYSA-N","363830",NA,"PDBC11790","629048","Present"
-"2',3',4',5,7-Pentamethoxyflavone","","","","","","","","","","","","","","","","","","","","Flavonid, 6[2,3]","","COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC","XCRISFHOPWXTMT-UHFFFAOYSA-N","373146",NA,"PDBC11791","649089","Present"
-"2',3',4',5-Tetramethoxyflavone","","","","","","","","","","","","","","","","","","","","2',3',4',5-Tetramethoxyflavone","","COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=C3OC)OC)OC","AJDAQJMIELSSPG-UHFFFAOYSA-N","373140",NA,"PDBC11792","649083","Present"
-"2',3',4'-Trimethoxy-5-hydroxyflavone","","","","","","","","","","","","","","","","","","","","2',3',4'-Trimethoxy-5-hydroxyflavone","","COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(C=CC=C3O2)O)OC)OC","YLHALJZNKVUBGX-UHFFFAOYSA-N","373139",NA,"PDBC11793","649082","Present"
-"2',3',5'-Triacetyluridine","","","","","","","","","","","","","","","","","","","","NSC79269","","CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C","AUFUWRKPQLGTGF-UHFFFAOYSA-N","254731",NA,"PDBC11794","79269","Present"
-"2',3'-Anhydroadenosine","","","","","","","","","","","","","","","","","","","","Adenine, 9-(2,3-Anhydro-.beta.-D-ribofuranosyl)-","","C1=NC(=C2C(=N1)N(C=N2)C3C4C(O4)C(O3)CO)N","RANSNKOSWWZYEJ-UHFFFAOYSA-N","253777",NA,"PDBC11795","615425","Present"
-"2',3'-Didehydro-2',3'-dideoxyguanosine","","","","","","","","","","","","","","","","","","","","2',3'-Didehydro-2',3'-dideoxyguanosine","","C1=CC(OC1CO)N2C=NC3=C2N=C(NC3=O)N","FZYYPNOHKXTKLI-UHFFFAOYSA-N","135431125",NA,"PDBC11796","623156","Present"
-"2',3'-Dideoxy-3'-fluorocytidine","","","","","","","","","","","","","","","","","","","","2',3'-dideoxy-3'-fluorocytidine","","C1C(C(OC1N2C=CC(=NC2=O)N)CO)F","HNSUDSIHCJEYQG-UHFFFAOYSA-N","356019",NA,"PDBC11797","610998","Present"
-"2',3'-O-Isopropylidenecytidine","","","","","","","","","","","","","","","","","","","","2',3'-O-Isopropylidenecytidine","","CC1(OC2C(OC(C2O1)N3C=CC(=NC3=O)N)CO)C","UBGDNZQSYVIVHU-UHFFFAOYSA-N","351235",NA,"PDBC11798","520039","Present"
-"2',3'-d]Imidazole-9-carbonitrile","","","","","","","","","","","","","","","","","","","","11-Amino-8,12-dimethyl-13-oxo-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaene-10-carbonitrile","","CC1=C(C(=C2N(C3=C(N2C1=O)C=CC=N3)C)C#N)N","BLJVOKDPRPCTRV-UHFFFAOYSA-N","374124",NA,"PDBC11799","651435","Present"
-"2',3,4,5-Tetramethoxybibenzyl","","","","","","","","","","","","","","","","","","","","2',3,4,5-Tetramethoxybibenzyl","","COC1=CC=CC=C1CCC2=CC(=C(C(=C2)OC)OC)OC","GJKHXLPDHHGPTB-UHFFFAOYSA-N","368066",NA,"PDBC11800","638391","Present"
-"2',4',5'-Trichloroglyoxylanilide oxime","","","","","","","","","","","","","","","","","","","","2',4',5'-TRICHLOROGLYOXYLANILIDE OXIME","","C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)C=NO","NPRMLBHENAYKIM-KGVSQERTSA-N","9614316",NA,"PDBC11801","157336","Present"
-"2',4'-Dichlorochalcone","","","","","","","","","","","","","","","","","","","","ZX-AT016285","","C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","MAHZJRXLVQTYEA-RMKNXTFCSA-N","5388428",NA,"PDBC11802","635963","Present"
-"2',4'-Dimethoxy-2-fluoro-4,5-dihydroxychalcone","","","","","","","","","","","","","","","","","","","","2',4'-Dimethoxy-2-fluoro-4,5-dihydroxychalcone","","COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2F)O)O)OC","KLCQVTRDBZJWCR-ZZXKWVIFSA-N","5471281",NA,"PDBC11803","710265","Present"
-"2',4'-Dimethoxy-3,4-dihydroxychalcone","","","","","","","","","","","","","","","","","","","","HX-0835","","COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)O)O)OC","XEFNHJDWTZIITP-XVNBXDOJSA-N","5471280",NA,"PDBC11804","710264","Present"
-"2',4'-Dimethylacetophenone thiosemicarbazone","","","","","","","","","","","","","","","","","","","","[(E)-1-(2,4-Dimethylphenyl)ethylideneamino]thiourea","","CC1=CC(=C(C=C1)C(=NNC(=S)N)C)C","LTHOLBGWPSXPJV-UKTHLTGXSA-N","9569887",NA,"PDBC11805","622701","Present"
-"2',4,4'-Trichlorochalcone","","","","","","","","","","","","","","","","","","","","ZX-AT016286","","C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl","TXUDDFHDDNTVBF-FPYGCLRLSA-N","24203886",NA,"PDBC11806","729973","Present"
-"2',4]Thiazinium chloride","","","","","","","","","","","","","","","","","","","","5,6-ethylenediquino[3,2-b","","C1C[N+]2=C3N1C4=NC5=CC=CC=C5C=C4SC3=CC6=CC=CC=C62.[Cl-]","WXRYUBHDCNNDGA-UHFFFAOYSA-M","16680184",NA,"PDBC11807","737216","Present"
-"2',6'-Dibromo-2-(methoxymethyl)spiro[7,8-dihydro-6H-thieno[3,2-g]quinoline-5,4'-cyclohexa-2,5-diene]-1',4,9-trione","","","","","","","","","","","","","","","","","","","","2',6'-Dibromo-2-(methoxymethyl)spiro[7,8-dihydro-6H-thieno[3,2-g]quinoline-5,4'-cyclohexa-2,5-diene]-1',4,9-trione","","COCC1=CC2=C(S1)C(=O)C3=C(C2=O)C4(CCN3)C=C(C(=O)C(=C4)Br)Br","CUYILCDOWFOPRK-UHFFFAOYSA-N","375900",NA,"PDBC11808","656211","Present"
-"2',6'-Dibromo-20-hydroxyspiro[2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,19-nonaene-18,4'-cyclohexa-2,5-diene]-1'-one","","","","","","","","","","","","","","","","","","","","2',6'-Dibromo-20-hydroxyspiro[2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,19-nonaene-18,4'-cyclohexa-2,5-diene]-1'-one","","C1CN=C2C(=C(C3=NC4=CC=CC=C4C5=C3C2=NC=C5)O)C16C=C(C(=O)C(=C6)Br)Br","ILLNNPOUNWULRF-UHFFFAOYSA-N","135968227",NA,"PDBC11809","719979","Present"
-"2',6'-Dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione","","","","","","","","","","","","","","","","","","","","2',6'-Dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione","","C1CN=C2C(=C(C3=NC=NC3=C2O)O)C14C=C(C(=O)C(=C4)Br)Br","IATLONPIMRSRSI-UHFFFAOYSA-N","383052",NA,"PDBC11810","671096","Present"
-"2',6'-Dibromospiro[2,3-dihydro-1H-benzo[g]quinoline-4,4'-cyclohexa-2,5-diene]-1',5,10-trione","","","","","","","","","","","","","","","","","","","","2',6'-Dibromospiro[2,3-dihydro-1H-benzo[g]quinoline-4,4'-cyclohexa-2,5-diene]-1',5,10-trione","","C1CNC2=C(C13C=C(C(=O)C(=C3)Br)Br)C(=O)C4=CC=CC=C4C2=O","MOZNFJNMAYKYLT-UHFFFAOYSA-N","373332",NA,"PDBC11811","649491","Present"
-"2',6'-Dibromospiro[7,8-dihydro-6H-pyrido[2,3-g]quinoline-9,4'-cyclohexa-2,5-diene]-1',5,10-trione","","","","","","","","","","","","","","","","","","","","2',6'-Dibromospiro[7,8-dihydro-6H-pyrido[2,3-g]quinoline-9,4'-cyclohexa-2,5-diene]-1',5,10-trione","","C1CNC2=C(C13C=C(C(=O)C(=C3)Br)Br)C(=O)C4=C(C2=O)C=CC=N4","ASSIIERDRZXACN-UHFFFAOYSA-N","383051",NA,"PDBC11812","671095","Present"
-"2',6'-Dibromospiro[8,9-dihydro-7H-pyrido[3,2-g]quinoline-6,4'-cyclohexa-2,5-diene]-1',5,10-trione","","","","","","","","","","","","","","","","","","","","2',6'-Dibromospiro[8,9-dihydro-7H-pyrido[3,2-g]quinoline-6,4'-cyclohexa-2,5-diene]-1',5,10-trione","","C1CNC2=C(C13C=C(C(=O)C(=C3)Br)Br)C(=O)C4=C(C2=O)N=CC=C4","KEODCUBSPDJSPN-UHFFFAOYSA-N","383845",NA,"PDBC11813","672556","Present"
-"2',6'-Dichloro-4,9-dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one","","","","","","","","","","","","","","","","","","","","2',6'-Dichloro-4,9-dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one","","C1CN=C2C(=C(C3=NC=NC3=C2O)O)C14C=C(C(=O)C(=C4)Cl)Cl","VHJRQNSWUPVHOH-UHFFFAOYSA-N","386838",NA,"PDBC11814","679561","Present"
-"2',6-Diyl)diimino]-3',3''-dipropyl-1,3-dithiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2',2'' - [(Acridin-3,6-diyl)diimino]- 3',3'' - dipropyl ...","","CCCN1C(=O)CSC1=NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)N=C5N(C(=O)CS5)CCC.Cl","JOMNMTLQPFIYRF-UHFFFAOYSA-N","45028644",NA,"PDBC11815","743549","Present"
-"2'-(1,7-Octadiynyl)-alpha-diazoacetophenone","","","","","","","","","","","","","","","","","","","","2-Diazonio-1-[2-(octa-1,7-diyn-1-yl)phenyl]ethenolate","","C#CCCCCC#CC1=CC=CC=C1C(=O)C=[N+]=[N-]","NORICHGVOPQTSI-UHFFFAOYSA-N","373284",NA,"PDBC11816","649434","Present"
-"2'-(2-Oxo-2-ethoxyethyl)-1,3,4,9-tetrahydrospiro[2H-carbazole-2,3'-indoline]-1-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-ethoxy-2-oxoethyl)spiro[1,2-dihydroindole-3,2'-1,3,4,9-tetrahydrocarbazole]-1'-carboxylate","","CCOC(=O)CC1C2(CCC3=C(C2C(=O)OCC)NC4=CC=CC=C34)C5=CC=CC=C5N1","GUADCCGSSHGVIH-UHFFFAOYSA-N","403940",NA,"PDBC11817","719706","Present"
-"2'-(3-Chloropropylthio)cinnamanilide","","","","","","","","","","","","","","","","","","","","2'-(3-Chloropropylthio)cinnamanilide","","C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2SCCCCl","WWXCUUWPGWXVQX-VAWYXSNFSA-N","5469316",NA,"PDBC11818","685709","Present"
-"2'-(7-Fluoro-9H-fluoren-2-ylcarbamoyl)biphenyl-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","2'-(7-Fluoro-9H-fluoren-2-ylcarbamoyl)biphenyl-2-carboxy...","","C1C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O)C5=C1C=C(C=C5)F","IKHLOSVJEXMGIO-UHFFFAOYSA-N","278710",NA,"PDBC11819","128598","Present"
-"2'-(Acetoxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)","","","","","","","","","","","","","","","","","","","","[4,7-Dimethoxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl acetate","","CC(=O)OCC1=NC2=C(C=C(C(=C2N1)OC)C3=NC4=C(N3)C=C(C=C4)N5CCN(CC5)C)OC","GVKIVSQWTAGXKY-UHFFFAOYSA-N","398958",NA,"PDBC11820","709342","Present"
-"2'-(Diethylaminomethyl)-(Z)-combrestastatin A-4, hydrochloride[1:1]","","","","","","","","","","","","","","","","","","","","2'-(Diethylaminomethyl)-(Z)-combrestastatin A-4, hydroch...","","CCN(CC)CC1=C(C=CC(=C1O)OC)C=CC2=CC(=C(C(=C2)OC)OC)OC.Cl","ODKVLOQXCUCWSB-KVVVOXFISA-N","5467057",NA,"PDBC11821","647247","Present"
-"2'-(Ethoxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)","","","","","","","","","","","","","","","","","","","","2-(Ethoxymethyl)-4,7-dimethoxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole","","CCOCC1=NC2=C(C=C(C(=C2N1)OC)C3=NC4=C(N3)C=C(C=C4)N5CCN(CC5)C)OC","SMFACUVFCSDDLD-UHFFFAOYSA-N","398957",NA,"PDBC11822","709341","Present"
-"2'-(Furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","","","","","","","","","","","","","","","","","","","2'-(Furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CO4)(C5=CC=CO5)O","QOIBTJCCEGZCMA-UHFFFAOYSA-N","388191",NA,"PDBC11823","682759","Present"
-"2'-(Hydroxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)","","","","","","","","","","","","","","","","","","","","[4,7-Dimethoxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methanol","","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=C5C(=C4OC)NC(=N5)CO)OC","SBFWEGKJVWLORP-UHFFFAOYSA-N","398959",NA,"PDBC11824","709343","Present"
-"2'-(Methoxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)","","","","","","","","","","","","","","","","","","","","4,7-Dimethoxy-2-(methoxymethyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole","","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=C5C(=C4OC)NC(=N5)COC)OC","RLUIGVFSEGETHV-UHFFFAOYSA-N","398956",NA,"PDBC11825","709340","Present"
-"2'-(Methyl sulfonyl)-4-aza-5alpha-androstano[3,2-c]pyrazol-17beta-yl acetate","","","","","","","","","","","","","","","","","","","","2'-(methyl sulfonyl)-4-aza-5.alpha.-androstano[3,2-c]pyr...","","CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC5=C(N4)N(N=C5)S(=O)(=O)C)C)C","KBNGFJCZEJFHKW-MEOCLINRSA-N","383422",NA,"PDBC11826","671761","Present"
-"2'-Aminopyrimidinoestra-1,5(10),16-tetraene","","","","","","","","","","","","","","","","","","","","2'-aminopyrimidinoestra-1,3,5(10),16-tetraene","","CC12CCC3C(C1CC4=CN=C(N=C24)N)CCC5=C3C=CC(=C5)O","BNIPZMVTDDEXPL-WWNBULGVSA-N","406871",NA,"PDBC11827","725171","Present"
-"2'-Azido-2'-deoxycytidine","","","","","","","","","","","","","","","","","","","","2'-Azido-2'-deoxycytidine","","C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=[N-]","FEOYKPQEERVCAV-UHFFFAOYSA-N","386488",NA,"PDBC11828","678532","Present"
-"2'-Azido-2'-deoxyuridine","","","","","","","","","","","","","","","","","","","","2'-Azido-2'-deoxyuridine","","C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]","MRUKYOQQKHNMFI-UHFFFAOYSA-N","386489",NA,"PDBC11829","678533","Present"
-"2'-Azido-2-butyl-pyrido(1,3-dione","","","","","","","","","","","","","","","","","","","","2'-Azido-2-butyl-pyrido(1,2-e)carbazol-1,3-dione","","CCCCC1(C(=O)C2C=CC=C3C2N(C1=O)C4=CC=CC=C34)N=[N+]=[N-]","KNJMPWFRRBMENG-UHFFFAOYSA-N","387461",NA,"PDBC11830","681267","Present"
-"2'-Benzoyl-1'-hydroxy-1'-phenylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","","","","","","","","","","","","","","","","","","","2'-Benzoyl-1'-hydroxy-1'-phenylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione","","C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4)(C5=CC=CC=C5)O","UUFJIGUPTRGAKK-UHFFFAOYSA-N","388187",NA,"PDBC11831","682755","Present"
-"2'-Benzyloxy-5,7,8-trimethoxyflavone","","","","","","","","","","","","","","","","","","","","5,7,8-Trimethoxy-2-(2-phenylmethoxyphenyl)chromen-4-one","","COC1=CC(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3OCC4=CC=CC=C4)OC)OC","ZNKDXKFJMGWICD-UHFFFAOYSA-N","24203714",NA,"PDBC11832","729193","Present"
-"2'-Bromo-3-nitrosalicylanilide","","","","","","","","","","","","","","","","","","","","2'-Bromo-3-nitrosalicylanilide","","C1=CC=C(C(=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)Br","JXBWRDYVZDBUIU-UHFFFAOYSA-N","100601",NA,"PDBC11833","328476","Present"
-"2'-Bromo-4'-epi-daunorubicin","","","","","","","","","","","","","","","","","","","","2'-bromo-4'-epi-daunorubicin","","CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)Br)N)O","RNTSDANIDLGPLQ-ZFXDRNAVSA-N","6711997",NA,"PDBC11834","650931","Present"
-"2'-Chloro-3,4'-dinitrosalicylanilide","","","","","","","","","","","","","","","","","","","","2'-Chloro-3,4'-dinitrosalicylanilide","","C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl","GFVLDDOBLMCEGN-UHFFFAOYSA-N","186164",NA,"PDBC11835","82020","Present"
-"2'-Chloroflavanone","","","","","","","","","","","","","","","","","","","","2'-Chloroflavanone","","C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3Cl","UHPRBHSQHQJOQU-UHFFFAOYSA-N","242063",NA,"PDBC11836","50188","Present"
-"2'-Deoxy-2'-fluoro-5-methyluridine","","","","","","","","","","","","","","","","","","","","1-(2-Deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-5-methylu...","","CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F","GBBJCSTXCAQSSJ-UHFFFAOYSA-N","352992",NA,"PDBC11837","678516","Present"
-"2'-Deoxy-2'-fluorocytidine","","","","","","","","","","","","","","","","","","","","2'-Deoxy-2'-fluorocytidine","","C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F","NVZFZMCNALTPBY-UHFFFAOYSA-N","352976",NA,"PDBC11838","529432","Present"
-"2'-Deoxy-5-(trifluoromethyl)uridine","","","","","","","","","","","","","","","","","","","","tfdu","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O","VSQQQLOSPVPRAZ-UHFFFAOYSA-N","253083",NA,"PDBC11839","75520","Present"
-"2'-ETHYLCINNAMANILIDE","","","","","","","","","","","","","","","","","","","","2'-ETHYLCINNAMANILIDE","","CCC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2","UILYDUZXFHEGQP-OUKQBFOZSA-N","732133",NA,"PDBC11840","191385","Present"
-"2'-Ethenyl-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione","","","","","","","","","","","","","","","","","","","","2'-Ethenyl-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione","","CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=CC=CC=C5C3=O","HJKVVGAAPLEUIP-UHFFFAOYSA-N","406711",NA,"PDBC11841","724976","Present"
-"2'-Ethenyl-1-methylspiro[19-oxapentacyclo[14.2.1.02,15.04,13.06,11]nonadeca-4,6,8,10,12-pentaene-18,1'-cyclopropane]-3,14,17-trione","","","","","","","","","","","","","","","","","","","","2'-Ethenyl-1-methylspiro[19-oxapentacyclo[14.2.1.02,15.04,13.06,11]nonadeca-4,6,8,10,12-pentaene-18,1'-cyclopropane]-3,14,17-trione","","CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=CC6=CC=CC=C6C=C5C3=O","XSKQCVRXNYGUDI-UHFFFAOYSA-N","406712",NA,"PDBC11842","724977","Present"
-"2'-Ethenyl-1-methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclopropane]-3,18,21-trione","","","","","","","","","","","","","","","","","","","","2'-Ethenyl-1-methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclopropane]-3,18,21-trione","","CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=C(C3=O)C6=C(C=C5)C7=CC=CC=C7C=C6","SEJJCDKMUIYYFP-UHFFFAOYSA-N","406713",NA,"PDBC11843","724978","Present"
-"2'-Ethenyl-5,8-dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione","","","","","","","","","","","","","","","","","","","","2'-Ethenyl-5,8-dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione","","CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=C(C=CC(=C5C3=O)O)O","AGZPMIRMMRFCSQ-UHFFFAOYSA-N","406714",NA,"PDBC11844","724979","Present"
-"2'-Ethenyl-5-hydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7-triene-14,1'-cyclopropane]-3,10,13-trione","","","","","","","","","","","","","","","","","","","","2'-Ethenyl-5-hydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7-triene-14,1'-cyclopropane]-3,10,13-trione","","CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=C(C3=O)C(=CC=C5)O","OBLSPVRRMJCALI-UHFFFAOYSA-N","406715",NA,"PDBC11845","724980","Present"
-"2'-Ethyl-6',7'-dimethoxyspiro[furo[3,4-f][1,3]benzodioxole-7,3'-isoquinoline]-1',4',5-trione","","","","","","","","","","","","","","","","","","","","N-Ethyl-1,2,3,4-Tetrahydro-6,7-dimethoxy-1,4-dioxo-isoqu...","","CCN1C(=O)C2=CC(=C(C=C2C(=O)C13C4=CC5=C(C=C4C(=O)O3)OCO5)OC)OC","AUGIDXDODPAEIQ-UHFFFAOYSA-N","396260",NA,"PDBC11846","701813","Present"
-"2'-Fluoroacetophenoneisonicotinoylhydrazone","","","","","","","","","","","","","","","","","","","","2'-fluoroacetophenoneisonicotinoylhydrazone","","CC(=NNC(=O)C1=CC=NC=C1)C2=CC=CC=C2F","GLZVOSJESDMOIG-LICLKQGHSA-N","9555929",NA,"PDBC11847","655516","Present"
-"2'-Glutaryltaxol-3-(dimethylamino)propylamide","","","","","","","","","","","","","","","","","","","","Taxol derivative","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCCC(=O)NCCCN(C)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.Cl","ZMYCRVJILUQQGH-QHKUZATPSA-N","355392",NA,"PDBC11848","608832","Present"
-"2'-Hydroxy-5'-bromochalcone","","","","","","","","","","","","","","","","","","","","ZX-AT023896","","C1=CC=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)Br)O","JPVAYWFGQZDOGG-SOFGYWHQSA-N","5356465",NA,"PDBC11849","58445","Present"
-"2'-Hydroxy-5'-methylchalcone","","","","","","","","","","","","","","","","","","","","ZX-AT024064","","CC1=CC(=C(C=C1)O)C(=O)C=CC2=CC=CC=C2","BPAVQKLQOSHOPN-CSKARUKUSA-N","5708670",NA,"PDBC11850","123794","Present"
-"2'-Hydroxyacetophenone 4,4-dimethyl thiosemicarbazone","","","","","","","","","","","","","","","","","","","","NSC667886","","CC(=NNC(=S)N(C)C)C1=CC=CC=C1O","HZBQABOWXXTKMC-WQLSENKSSA-N","135509177",NA,"PDBC11851","667886","Present"
-"2'-Hydroxyacetophenone 4,4-hexamethylenethiosemicarbazone","","","","","","","","","","","","","","","","","","","","NSC668296","","CC(=NNC(=S)N1CCCCCC1)C2=CC=CC=C2O","QSLSNWJKCXWVEE-VBKFSLOCSA-N","135509180",NA,"PDBC11852","668296","Present"
-"2'-Hydroxyacetophenone piperidino(thiocarbonyl)hydrazone","","","","","","","","","","","","","","","","","","","","NSC668295","","CC(=NNC(=S)N1CCCCC1)C2=CC=CC=C2O","IXYYSGYYZOACOT-PTNGSMBKSA-N","135509179",NA,"PDBC11853","668295","Present"
-"2'-Methoxy-4'-nitro-3-nitrosalicylanilide","","","","","","","","","","","","","","","","","","","","2'-Methoxy-4'-nitro-3-nitrosalicylanilide","","COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","CXQLBKWGOVHVJE-UHFFFAOYSA-N","190315",NA,"PDBC11854","79453","Present"
-"2'-Nitrobenzanilide","","","","","","","","","","","","","","","","","","","","o'-Nitrobenzanilide","","C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-]","ARMSTQBMUHJXHU-UHFFFAOYSA-N","69769",NA,"PDBC11855","406275","Present"
-"2'-O-Benzoyl-salicortin","","","","","","","","","","","","","","","","","","","","Tremulacin","","C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=CC=C4)O","RCKCYCDBDYUIGM-UHFFFAOYSA-N","404838",NA,"PDBC11856","721382","Present"
-"2'-O-Methylhiascic acid","","","","","","","","","","","","","","","","","","","","2'-O-Methylhiascic acid","","CC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2C)OC(=O)C3=C(C(=C(C=C3O)O)O)C)OC","YFQVZURMMMPTAX-UHFFFAOYSA-N","371613",NA,"PDBC11857","646007","Present"
-"2'-Phenyl-17a-aza-D-homo-4-androsteno[17,16-c]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","2'-Phenyl-17a-aza-D-homo-4-androsteno[17,16-c]pyrazol-3-one","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC5=C(N4)N(N=C5)C6=CC=CC=C6)C","GGKVGSFKHSTURK-GKZGRGQISA-N","363160",NA,"PDBC11858","627761","Present"
-"2'-Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3beta-yl acetate","","","","","","","","","","","","","","","","","","","","2'-Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3....","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)C","XVVJHYWVIHHEOR-HEKMWYBJSA-N","363158",NA,"PDBC11859","627759","Present"
-"2'-Phenyl-4-androsteno[16,17-c]triazol-3-one","","","","","","","","","","","","","","","","","","","","2'-Phenyl-4-androsteno[16,17-c]triazol-3-one","","CC12CCC(=O)C=C1CCC3C2CCC4(C3CC5=NN(N=C54)C6=CC=CC=C6)C","SBUMMMYOJQXFGW-AIYTVDAHSA-N","362468",NA,"PDBC11860","626417","Present"
-"2'-Phenyl-4-aza-5alpha-androstano[3,2-c] pyrazol-17beta-yl acetate","","","","","","","","","","","","","","","","","","","","2'-Phenyl-4-aza-5.alpha.-androstano[3,2-c] pyrazol-17.be...","","CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)C","PYIBTPZZBALTBR-CQZDCXLOSA-N","363167",NA,"PDBC11861","627768","Present"
-"2'-[(6-Oxo-5,6-Dihydrophenanthridin-3-Yl)carbamoyl][1,1'-Biphenyl]-2-Carboxylic Acid","","","","","","","","","","","","","","","","","","","","Diphenamic acid, N-(5,6-dihydro-6-oxo-3-phenanthridinyl)-","","C1=CC=C2C(=C1)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O)NC2=O","MWPPELUBOBZLKD-UHFFFAOYSA-N","278037",NA,"PDBC11862","127133","Present"
-"2'-[1-(2,4-Dichlorophenyl)ethyl]isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","N'-(alpha-Methyl-2,4-dichlorobenzyl)isonicotinic hydrazide","","CC(C1=C(C=C(C=C1)Cl)Cl)NNC(=O)C2=CC=NC=C2","RKOCMFNSTIPQKR-UHFFFAOYSA-N","383896",NA,"PDBC11863","672807","Present"
-"2'-[3-Ethoxy-1,3-dioxo-2-(triphenylphosphoranylidene)propyl]biphenyl-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","2'-[3-Ethoxy-1,3-dioxo-2-(triphenylphosphoranylidene)propyl]biphenyl-2-carboxylic acid","","CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O","RSUCNDUUSGWZNV-UHFFFAOYSA-N","372844",NA,"PDBC11864","648536","Present"
-"2'Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3beta-ol","","","","","","","","","","","","","","","","","","","","2'Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3.b...","","CC12CCC(CC1=CCC3C2CCC4(C3CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)O","FJUADJYJHHYVLD-ADDMTJTHSA-N","363159",NA,"PDBC11865","627760","Present"
-"2'beta-Fluoro-3'-O-(phenoxycarbonothioyl)-5'-O-trityl-2'-deoxyadenosine","","","","","","","","","","","","","","","","","","","","[(2R,3R,4S,5R)-5-(6-Aminopurin-9-yl)-4-fluoro-2-(trityloxymethyl)oxolan-3-yl]oxy-phenoxymethanethione","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)F)OC(=S)OC7=CC=CC=C7","LTVJOOVYOVYVCR-QPBRMJRSSA-N","401670",NA,"PDBC11866","715400","Present"
-"2(1H)-Isoquinolinecarboxamide, 1-cyano-N,N-diphenyl-","","","","","","","","","","","","","","","","","","","","2(1H)-Isoquinolinecarboxamide, 1-cyano-N,N-diphenyl- (8CI)","","C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)N3C=CC4=CC=CC=C4C3C#N","HDBNACUXCQVKEU-UHFFFAOYSA-N","257243",NA,"PDBC11867","85178","Present"
-"2(1H)-Phthalazinecarboxylic acid, 4-[(methoxycarbonyl)oxy]-1-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","2(1H)-Phthalazinecarboxylic acid, 4-[(methoxycarbonyl)oxy]-1-oxo-, methyl ester","","COC(=O)N1C(=O)C2=CC=CC=C2C(=N1)OC(=O)OC","HYVYBELFAFZGSF-UHFFFAOYSA-N","355530",NA,"PDBC11868","609357","Present"
-"2(1H)-Pyridinone, 3-(4,6-dimethyl-1-oxo-2,4-octadienyl)-1,4-dihydroxy-5-(4-hydroxyphenyl)-, (E,E)-","","","","","","","","","","","","","","","","","","","","3-[(2E,4E)-4,6-dimethyl-1-oxo-2,4-octadien-1-yl]-1,4-dih...","","CCC(C)C=C(C)C=CC(=O)C1=C(C(=CN(C1=O)O)C2=CC=C(C=C2)O)O","YELFBSBOFKWHSL-UCFWAISOSA-N","54708314",NA,"PDBC11869","754582","Present"
-"2(1H)-Pyrimidinone, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fluoro-4-methoxy-","","","","","","","","","","","","","","","","","","","","2(1H)-pyrimidinone, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fl...","","COC1=NC(=O)N(C=C1F)C2C=CC(=O)O2","SOMYTVQCIUWOSO-UHFFFAOYSA-N","330094",NA,"PDBC11870","315844","Present"
-"2(1H)-Pyrimidinone, 4-[(9-ethyl-9H-carbazol-3-yl)amino]-6-methyl-","","","","","","","","","","","","","","","","","","","","2(1H)-Pyrimidinone, 4-[(9-ethyl-9H-carbazol-3-yl)amino]-...","","CCN1C2=C(C=C(C=C2)NC3=NC(=O)NC(=C3)C)C4=CC=CC=C41","RIGPSHOOFISQNL-UHFFFAOYSA-N","392190",NA,"PDBC11871","692317","Present"
-"2(1H)-Pyrimidinone, 5-fluoro-1-beta-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","2(1H)-Pyrimidinone, 5-fluoro-1-.beta.-D-ribofuranosyl-","","C1=C(C=NC(=O)N1C2C(C(C(O2)CO)O)O)F","BISROEGZKWHITE-UHFFFAOYSA-N","330359",NA,"PDBC11872","318509","Present"
-"2(2Me5BenzthiazolNH)PhCOOH","","","","","","","","","","","","","","","","","","","","2(2Me5BenzthiazolNH)PhCOOH","","CC1=NC2=C(S1)C=CC(=C2)NC3=CC=CC=C3C(=O)O","AENXQGKMTSDDTE-UHFFFAOYSA-N","374050",NA,"PDBC11873","651246","Present"
-"2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-","","","","","","","","","","","","","","","","","","","","2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-","","C1COCCN1CC(=O)C2=CC3=C(C=C2)NC(=O)O3","PGOSSGINMAXXBW-UHFFFAOYSA-N","391449",NA,"PDBC11874","690653","Present"
-"2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-piperidinyl)ethyl]-","","","","","","","","","","","","","","","","","","","","2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-piperidinyl)ethyl]-","","C1CCN(CC1)CCN2C3=C(C=C(C=C3)C(=O)CN4CCOCC4)OC2=O","HNPIAWCWTUFGDS-UHFFFAOYSA-N","391450",NA,"PDBC11875","690654","Present"
-"2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-pyrrolidinyl)ethyl]-","","","","","","","","","","","","","","","","","","","","2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-pyrrolidinyl)ethyl]-","","C1CCN(C1)CCN2C3=C(C=C(C=C3)C(=O)CN4CCOCC4)OC2=O","KMPYSBRIMLYBNL-UHFFFAOYSA-N","391460",NA,"PDBC11876","690665","Present"
-"2(3H)-Benzoxazolone, 6-(phenylacetyl)-","","","","","","","","","","","","","","","","","","","","JPB 8","","C1=CC=C(C=C1)CC(=O)C2=CC3=C(C=C2)NC(=O)O3","BUZFSNQGRCSNEY-UHFFFAOYSA-N","391454",NA,"PDBC11877","690658","Present"
-"2(3H)-Thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-(4-chlorophenyl)-","","","","","","","","","","","","","","","","","","","","2(3H)-Thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-(4-chlorophenyl)-","","C1=CC=C2C(=C1)N=C(O2)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)N","MZTLBUMMRXORCS-UHFFFAOYSA-N","404453",NA,"PDBC11878","720659","Present"
-"2(3H)-Thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-butyl-","","","","","","","","","","","","","","","","","","","","2(3H)-Thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-butyl-","","CCCCN1C(=C(SC1=S)C2=NC3=CC=CC=C3O2)N","GXQUPLDZEIBMRH-UHFFFAOYSA-N","404451",NA,"PDBC11879","720657","Present"
-"2(5H)-Furanone, 3-(2-benzothiazolyl)-4,5,5-trimethyl-","","","","","","","","","","","","","","","","","","","","2(5H)-Furanone, 3-(2-benzothiazolyl)-4,5,5-trimethyl-","","CC1=C(C(=O)OC1(C)C)C2=NC3=CC=CC=C3S2","PQZQFLMZTKRGCA-UHFFFAOYSA-N","372761",NA,"PDBC11880","648377","Present"
-"2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-","","","","","","","","","","","","","","","","","","","","2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-","","CCCCC1=C(C(=C(Br)Br)OC1=O)Br","VGADRJOQALVEDC-UHFFFAOYSA-N","362385",NA,"PDBC11881","626155","Present"
-"2, 3,3'-(1,6-Hexanediyl)bis[5,5-diphenyl-","","","","","","","","","","","","","","","","","","","","2,4-Imidazolidinedione, 3,3'-(1,6-hexanediyl)bis[5,5- di...","","C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCCCCN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","XMIQQJAGAZZTDB-UHFFFAOYSA-N","343242",NA,"PDBC11882","382386","Present"
-"2, 3,3'-[1,2-Ethenediylbis [(3-sulfo-4, 1-phenylene)azo]]bis[4,5-dihydroxy-, hexasodium salt","","","","","","","","","","","","","","","","","","","","2,7-Naphthalenedisulfonic acid, 3,3'-[1,2-ethenediylbis ...","","C1=CC(=C(C=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)O)O)S(=O)(=O)O.[Na+]","UZPOSSJPZWEFQL-KERWLWAWSA-N","135421925",NA,"PDBC11883","34932","Present"
-"2, 3-Hydroxy-4-[[4-[[4-[4-[(2-hydroxy-3,6-disulfo-1-naphthyl)azo]benzamido]phenyl] thio]phenyl]azo]-, tetrasodium salt","","","","","","","","","","","","","","","","","","","","2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[[4-[[4-[4- ...","","C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)N=NC4=C5C=CC(=CC5=CC(=C4O)S(=O)(=O)O)S(=O)(=O)O)N=NC6=C7C=CC(=CC7=CC(=C6O)S(=O)(=O)O)S(=O)(=O)O","PEIOJNXAKANCAD-UHFFFAOYSA-N","415011",NA,"PDBC11884","65860","Present"
-"2, 3-[(3,4-Dichlorophenyl)methylene]-6-(dimethylamino)-5-methyl-, hydrobromide","","","","","","","","","","","","","","","","","","","","2,4-Hexanedione, 3-[(3,4-dichlorophenyl)methylene]-6-(di...","","CC(CN(C)C)C(=O)C(=CC1=CC(=C(C=C1)Cl)Cl)C(=O)C.Br","FPJOPGWECSOMQU-FTPOTTDRSA-N","54607735",NA,"PDBC11885","360335","Present"
-"2, 4,4''-Ureylenebis [4'-acetamido-, tetrasodium salt","","","","","","","","","","","","","","","","","","","","2,2'-Stilbenedisulfonic acid, 4,4''-ureylenebis [4'-acet...","","CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","OIBXDJAEPSZBCP-WEUBHIEESA-N","54598505",NA,"PDBC11886","34928","Present"
-"2, 4,4'-[(1-Hydroxy-4-sulfo-2-naphthyl)azo]-, tetrasodium salt","","","","","","","","","","","","","","","","","","","","1-Naphthalenesulfonic acid, 3,3'-[1,2-ethenediylbis [(3-...","","C1=CC=C2C(=C1)C(=CC(=C2O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","KDTBZQQUCPOVRD-HTVYWNBFSA-N","135421923",NA,"PDBC11887","34931","Present"
-"2, 4-Amino-6-[[4'-[(4-amino-7-sulfo-1-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-3-[(4-nitrophenyl)azo]-, trisodium salt","","","","","","","","","","","","","","","","","","","","2,7-Naphthalenedisulfonic acid, 4-amino-6-[[4'-[(4-amino...","","C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O)N=NC6=C7C=C(C=CC7=C(C=C6)N)S(=O)(=O)O.[Na+]","NIDUZTYRAQSTMU-UHFFFAOYSA-N","135534420",NA,"PDBC11888","79743","Present"
-"2, 4-Hydroxy-4-(3-hydroxy-1-propynyl)-","","","","","","","","","","","","","","","","","","","","2,5-Cyclohexadien-1-one, 4-hydroxy-4-(3-hydroxy-1-propyn...","","C1=CC(C=CC1=O)(C#CCO)O","HYMUYMHBNHXVCF-UHFFFAOYSA-N","394651",NA,"PDBC11889","698253","Present"
-"2, 5-[4-(Dimethylamino)phenyl]-2-phenyl-","","","","","","","","","","","","","","","","","","","","2,4-Pentadienenitrile, 5-[4-(dimethylamino)phenyl]- 2-ph...","","CN(C)C1=CC=C(C=C1)C=CC=C(C#N)C2=CC=CC=C2","PZOBYPZHMFNXCV-WNQIWMROSA-N","6376091",NA,"PDBC11890","667252","Present"
-"2, 6-[(Bromotrichlorophosphoranyl)methyl]-5-(3,4-dichlorophenyl)-","","","","","","","","","","","","","","","","","","","","2,4-Pyrimidinediamine, 6-[(bromotrichlorophosphoranyl)me...","","C1=CC(=C(C=C1C2=C(N=C(N=C2N)N)CP(Cl)(Cl)(Cl)Br)Cl)Cl","CJJRHNVCPYJIJF-UHFFFAOYSA-N","308827",NA,"PDBC11891","210924","Present"
-"2, Arsenic(3+) salt","","","","","","","","","","","","","","","","","","","","2,3-dimercaptobutanedioic acid, arsenic(3+) salt","","C(C(C(=O)O)S)(C(=O)O)S.[As]","SNNUJVHJXKIHFY-UHFFFAOYSA-N","54603914",NA,"PDBC11892","16866","Present"
-"2,1':4,5][1,3,5]Thiadiazino[2,3-b]quinazolin-5-thione","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-12H-imidazo[2',1':4,5][1,3,5]thiadiazino[2,3...","","C1CN2C(=N1)N3CC4=CC=CC=C4N=C3SC2=S","HMADFQMMTIFSGT-UHFFFAOYSA-N","45028032",NA,"PDBC11893","740808","Present"
-"2,1,3-Benzoselenadiazol-5-amine","","","","","","","","","","","","","","","","","","","","2,1,3-Benzoselenadiazol-5-amine","","C1=CC2=N[Se]N=C2C=C1N","USUBPPYJPSYDCY-UHFFFAOYSA-N","362896",NA,"PDBC11894","627370","Present"
-"2,1,3-Benzoselenadiazol-5-yl(phenyl)methanone","","","","","","","","","","","","","","","","","","","","STK680281","","C1=CC=C(C=C1)C(=O)C2=CC3=N[Se]N=C3C=C2","RQTVFTLQGUCIGW-UHFFFAOYSA-N","357318",NA,"PDBC11895","615552","Present"
-"2,1,3-Benzothiadiazol-4-amine","","","","","","","","","","","","","","","","","","","","4-aminopiazthiole","","C1=CC2=NSN=C2C(=C1)N","DRLGIZIAMHIQHL-UHFFFAOYSA-N","69845",NA,"PDBC11896","73013","Present"
-"2,10,12-Triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),11,13(17),14-pentaen-9-one","","","","","","","","","","","","","","","","","","","","2,10,12-Triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),11,13(17),14-pentaen-9-one","","C1CCC2=C(C1)C(=O)N3C=NC4=C3C(=CC=C4)N2","SQPMCAZBOJPKRH-UHFFFAOYSA-N","375449",NA,"PDBC11897","655181","Present"
-"2,10,18,26-Tetrazatricyclo[25.5.0.011,17]dotriaconta-1,10,12,14,16,27,29,31-octaene","","","","","","","","","","","","","","","","","","","","2,10,18,26-Tetrazatricyclo[25.5.0.011,17]dotriaconta-1,10,12,14,16,27,29,31-octaene","","C1CCCNC2=CC=CC=CC2=NCCCCCCCN=C3C=CC=CC=C3NCCC1","OUGBJMOISWZMQJ-UHFFFAOYSA-N","358337",NA,"PDBC11898","618302","Present"
-"2,10,19-Trioxa-16,22,31-triazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(27),4(31),5,7,11,13,15,22,24(28),25,29-undecaene","","","","","","","","","","","","","","","","","","","","2,10,19-Trioxa-16,22,31-triazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(27),4(31),5,7,11,13,15,22,24(28),25,29-undecaene","","C1COCCN=CC2=CC=C(C=C2)OCC3=CC=CC(=N3)COC4=CC=C(C=C4)C=N1","YTFNLOFSRQJZAE-UHFFFAOYSA-N","403697",NA,"PDBC11899","718888","Present"
-"2,10-Anthrylenedimethylene)-bis[2-thiopseudourea] dihydrochloride","","","","","","","","","","","","","","","","","","","","ATPU","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CSC(=N)N)CSC(=N)N.Cl","DEYDZSUKTLIUOZ-UHFFFAOYSA-N","54603799",NA,"PDBC11900","56054","Present"
-"2,10-Dioxa-16,19,22,25,34-pentazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(30),4(34),5,7,11,13,15,25,27(31),28,32-undecaene","","","","","","","","","","","","","","","","","","","","2,10-Dioxa-16,19,22,25,34-pentazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(30),4(34),5,7,11,13,15,25,27(31),28,32-undecaene","","C1CNCCN=CC2=CC=C(C=C2)OCC3=CC=CC(=N3)COC4=CC=C(C=C4)C=NCCN1","NRZMZBQZJSDGMZ-UHFFFAOYSA-N","393561",NA,"PDBC11901","695631","Present"
-"2,10-Dioxa-16,19,22,25,36-pentazapentacyclo[25.2.2.211,14.219,22.14,8]hexatriaconta-1(30),4(36),5,7,11,13,15,25,27(31),28,34-undecaene","","","","","","","","","","","","","","","","","","","","2,10-Dioxa-16,19,22,25,36-pentazapentacyclo[25.2.2.211,14.219,22.14,8]hexatriaconta-1(30),4(36),5,7,11,13,15,25,27(31),28,34-undecaene","","C1CN2CCN(CCN=CC3=CC=C(C=C3)OCC4=CC=CC(=N4)COC5=CC=C(C=C5)C=N1)CC2","MENAGVQJXHSTPE-UHFFFAOYSA-N","403696",NA,"PDBC11902","718887","Present"
-"2,10-Dioxa-16,19,22,31-tetraazatetracyclo[22.2.2.211,14.14,8]hentriaconta-4,6,8(31),11,13,15,22,24,26,27,29-undecaene, 12,26-dimethoxy-","","","","","","","","","","","","","","","","","","","","12,26-Dimethoxy-2,10-dioxa-16,19,22,31-tetrazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(26),4(31),5,7,11,13,15,22,24,27,29-undecaene","","COC1=C2C=CC(=C1)C=NCCNCCN=CC3=CC(=C(C=C3)OCC4=CC=CC(=N4)CO2)OC","SVYDPNFMXNMMCA-UHFFFAOYSA-N","383116",NA,"PDBC11903","671160","Present"
-"2,10-Dioxa-16,19,22,31-tetrazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(27),4(31),5,7,11,13,15,22,24(28),25,29-undecaene","","","","","","","","","","","","","","","","","","","","2,10-Dioxa-16,19,22,31-tetrazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(27),4(31),5,7,11,13,15,22,24(28),25,29-undecaene","","C1CN=CC2=CC=C(C=C2)OCC3=NC(=CC=C3)COC4=CC=C(C=C4)C=NCCN1","IOMPXSOWTIMPGG-UHFFFAOYSA-N","393562",NA,"PDBC11904","695632","Present"
-"2,10-Diphenylpyridazino[4,5-b]quinolin-1(2H)-one","","","","","","","","","","","","","","","","","","","","2,10-Diphenylpyridazino[4,5-b]quinolin-1(2H)-one","","C1=CC=C(C=C1)C2=C3C(=NC4=CC=CC=C42)C=NN(C3=O)C5=CC=CC=C5","MUYAPUOWJXVSQP-UHFFFAOYSA-N","372527",NA,"PDBC11905","647661","Present"
-"2,11-Dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxyperylene-3,10-dione","","","","","","","","","","","","","","","","","","","","2,11-Dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxyperylene-3,10-dione","","CC(CC1=C(C(=O)C2=C(C=C(C3=C4C(=CC(=C5C4=C(C1=C32)C(=C(C5=O)O)CC(C)O)OC)OC)OC)OC)O)O","HZWAGEBGVYHLIB-VXGBXAGGSA-N","390877",NA,"PDBC11906","688980","Present"
-"2,11-Dihydroxy-4,6,7,9-tetramethoxy-1,12-bis[(E)-prop-1-enyl]perylene-3,10-dione","","","","","","","","","","","","","","","","","","","","2,11-Dihydroxy-4,6,7,9-tetramethoxy-1,12-bis[(E)-prop-1-enyl]perylene-3,10-dione","","CC=CC1=C(C(=O)C2=C(C=C(C3=C4C(=CC(=C5C4=C(C1=C32)C(=C(C5=O)O)C=CC)OC)OC)OC)OC)O","JTIFIHHOOYLSOC-FIFLTTCUSA-N","135505160",NA,"PDBC11907","693562","Present"
-"2,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","2,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CC1=CC(=O)C2=C(C1=O)C3=C(C=C2)C4=CC=CC=C4N3C","LJBVBDSXOIBVLB-UHFFFAOYSA-N","375751",NA,"PDBC11908","655898","Present"
-"2,12-Bis(3-hydroxypropyl)-2,12-dimethylcyclododecanone","","","","","","","","","","","","","","","","","","","","2,12-Bis(3-hydroxypropyl)-2,12-dimethylcyclododecanone","","CC1(CCCCCCCCCC(C1=O)(C)CCCO)CCCO","QTRIRBZOTPYUMA-UHFFFAOYSA-N","385905",NA,"PDBC11909","677306","Present"
-"2,12-Bis[(dimethylamino)methyl]cyclododecan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC649641","","CN(C)CC1CCCCCCCCCC(C1=O)CN(C)C.Cl","OMVXXYRGBASRKW-UHFFFAOYSA-N","373394",NA,"PDBC11910","649641","Present"
-"2,12-Di-tert-butyl-7,8-dihydro-14,15-didehydro-6H-dibenzo[f,j][1,5]dioxacycloundecin","","","","","","","","","","","","","","","","","","","","6,18-Ditert-butyl-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-yne","","CC(C)(C)C1=CC2=C(C=C1)OCCCOC3=C(C=C(C=C3)C(C)(C)C)C#C2","WNMBNXHDUUIEJB-UHFFFAOYSA-N","397892",NA,"PDBC11911","706807","Present"
-"2,12-Dichloro-7-phenyl-5,6,8,9-tetrahydro-1,13-diaza-dibenzo[a,j]anthracene-14-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 6,20-dichloro-13-phenyl-5,21-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene-2-carboxylate","","COC(=O)C1=C2C(=C(C3=C1C4=C(CC3)C=CC(=N4)Cl)C5=CC=CC=C5)CCC6=C2N=C(C=C6)Cl","OYTWSNWGCZOUQI-UHFFFAOYSA-N","371369",NA,"PDBC11912","645588","Present"
-"2,12a-Dihydro-12-oxodibenzo[b,g] indoloisoquinolinium sulfate","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-12,12a-dihydro-12-oxodibenzo[b,g] indolois...","","COC1=C(C=C2C(=C1)C=C[N+]3=C2C(=O)C4=CC=CC=C43)OC.[O-]S(=O)(=O)[O-]","ZKMMLRIWYJCNDC-UHFFFAOYSA-L","24202106",NA,"PDBC11913","627787","Present"
-"2,13-Dioxa-6,9,16,19-tetrathiadispiro[3.6.3^{11}.6^{4}]icosane","","","","","","","","","","","","","","","","","","","","2,13-Dioxa-6,9,16,19-tetrathiadispiro[3.6.3^{11}.6^{4}]icosane","","C1CSCC2(COC2)CSCCSCC3(COC3)CS1","PMRQLWLIBYPXLC-UHFFFAOYSA-N","373825",NA,"PDBC11914","650788","Present"
-"2,14-Diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide","","","","","","","","","","","","","","","","","","","","2,14-Diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide","","C1N2C=CC3=CC=CC=C3C2=NC4=[N+]1C=CC5=CC=CC=C54.[I-]","WBSPCHFEFYQJOP-UHFFFAOYSA-M","404653",NA,"PDBC11915","721080","Present"
-"2,15-Bis[(dimethylamino)methyl]cyclopentadecan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC649640","","CN(C)CC1CCCCCCCCCCCCC(C1=O)CN(C)C.Cl","BTBFJTSDQAKCDW-UHFFFAOYSA-N","373392",NA,"PDBC11916","649640","Present"
-"2,16-Tribromoestra-1,3,5(10)-trien-3-ol-17-one","","","","","","","","","","","","","","","","","","","","2,4,16-Tribromoestra-1,3,5(10)-trien-3-ol-17-one","","CC12CCC3C(C1CC(C2=O)Br)CCC4=C(C(=C(C=C34)Br)O)Br","ADSWXPLGWUHJRG-WASBOFOPSA-N","388134",NA,"PDBC11917","682689","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 3,3',5,5',6,6',7,7'-octahydro-","","","","","","","","","","","","","","","","","","","","2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 3,3',5,5',6,6',7,7'-octahydro-","","C1CC2=CC3=C(CC4(C3)CC5=C(C4=O)C=C6CCCC6=C5)C=C2C1","KLAMYRDGUZSBQO-UHFFFAOYSA-N","382652",NA,"PDBC11918","670300","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 3,3',5,5',6,6',7,7'-octahydro-1'-methylene-","","","","","","","","","","","","","","","","","","","","7-Methylidenespiro[1,2,3,5-tetrahydro-s-indacene-6,2'-3,5,6,7-tetrahydro-s-indacene]-1'-one","","C=C1C2=C(CC13CC4=C(C3=O)C=C5CCCC5=C4)C=C6CCCC6=C2","MDELAXAHDNITFF-UHFFFAOYSA-N","382772",NA,"PDBC11919","670450","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-","","","","","","","","","","","","","","","","","","","","2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-","","CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C=C6CCCC6=C5","SZWHEJDJJIBIPK-UHFFFAOYSA-N","382664",NA,"PDBC11920","670312","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacene]-4,4'-dicarboxaldehyde, 3,3',5,5',6,6',7,7'-octahydro-","","","","","","","","","","","","","","","","","","","","6,6'-Spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4,4'-dicarbaldehyde","","C1CC2=CC3=C(CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C=O)C(=C2C1)C=O","ITSVOCHDTFUUAB-UHFFFAOYSA-N","382759",NA,"PDBC11921","670437","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacene]-4,4'-dicarboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-, dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4,4'-dicarboxylate","","COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)OC","JDCKLAWDBNRXBJ-UHFFFAOYSA-N","382758",NA,"PDBC11922","670436","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacene]-4,4'-dimethanol, 3,3',5,5',6,6',7,7'-octahydro-","","","","","","","","","","","","","","","","","","","","[4'-(Hydroxymethyl)-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4-yl]methanol","","C1CC2=CC3=C(CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)CO)C(=C2C1)CO","XNIYUUPFNWOLGD-UHFFFAOYSA-N","382760",NA,"PDBC11923","670438","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-, methyl ester","","COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCC6=C5","WGRZTCIIDNTQKV-UHFFFAOYSA-N","382765",NA,"PDBC11924","670443","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-1'-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate","","COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C=C6CCCC6=C5","LVWDRDQXHIEPMF-UHFFFAOYSA-N","382665",NA,"PDBC11925","670313","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-4'-methyl-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate","","CC1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)OC","FHZPQVBIVBUFQS-UHFFFAOYSA-N","382762",NA,"PDBC11926","670440","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate","","CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)OC","LINCQZTYIFFOHQ-UHFFFAOYSA-N","365580",NA,"PDBC11927","633379","Present"
-"2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 4'-formyl-3,3',5,5',6,6',7,7'-octahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-formyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate","","COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C=O","KKISMDCJUHRYQW-UHFFFAOYSA-N","382763",NA,"PDBC11928","670441","Present"
-"2,2',3,3'-Tetrahydroxy-1,1'-binaphthyl","","","","","","","","","","","","","","","","","","","","[1,1'-Binaphthalene]-2,2',3,3'-tetrol","","C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)O)O)O)O","OOSHJGKXQBJASF-UHFFFAOYSA-N","316673",NA,"PDBC11929","245006","Present"
-"2,2',4,4',6,6'-Hexamethoxychalcone","","","","","","","","","","","","","","","","","","","","2,2',4,4',6,6'-Hexamethoxychalcone","","COC1=CC(=C(C(=C1)OC)C=CC(=O)C2=C(C=C(C=C2OC)OC)OC)OC","WPEIVYGKGRTWQT-BQYQJAHWSA-N","6312440",NA,"PDBC11930","750050","Present"
-"2,2',4,6,6'-Pentamethoxychalcone","","","","","","","","","","","","","","","","","","","","2,2',4,6,6'-Pentamethoxychalcone","","COC1=C(C(=CC=C1)OC)C(=O)C=CC2=C(C=C(C=C2OC)OC)OC","VTQYXZBKHCNCGL-MDZDMXLPSA-N","16655018",NA,"PDBC11931","751955","Present"
-"2,2',5,5'-Tetrahydroxy-4,4'-dimethylbiphenyl","","","","","","","","","","","","","","","","","","","","2,2',5,5'-Tetrahydroxy-4,4'-dimethylbiphenyl","","CC1=CC(=C(C=C1O)C2=C(C=C(C(=C2)O)C)O)O","DSVRCBOSZSZMRX-UHFFFAOYSA-N","220284",NA,"PDBC11932","2805","Present"
-"2,2',7,7'-Tetrabromo-9,9'-spirobifluorene","","","","","","","","","","","","","","","","","","","","AK-25346","","C1=CC2=C(C=C1Br)C3(C4=C2C=CC(=C4)Br)C5=C(C=CC(=C5)Br)C6=C3C=C(C=C6)Br","MASXXNUEJVMYML-UHFFFAOYSA-N","371282",NA,"PDBC11933","645359","Present"
-"2,2'-(1,3-Propanediyl)bis(nitrilomethylidyne)bis(5-methoxyphenol)","","","","","","","","","","","","","","","","","","","","2-[3-[(2-Hydroxy-4-methoxyphenyl)methylideneamino]propyliminomethyl]-5-methoxyphenol","","COC1=CC(=C(C=C1)C=NCCCN=CC2=C(C=C(C=C2)OC)O)O","CKVTXWCHWYLAMV-UHFFFAOYSA-N","403717",NA,"PDBC11934","718908","Present"
-"2,2'-(1,4-Phenylene)bis(1,3-dimethylimidazolidine)","","","","","","","","","","","","","","","","","","","","2,2'-(1,4-phenylene)bis(1,3-dimethylimidazolidine)","","CN1CCN(C1C2=CC=C(C=C2)C3N(CCN3C)C)C","VJOKAQXOSFIMEF-UHFFFAOYSA-N","24202889",NA,"PDBC11935","726160","Present"
-"2,2'-(9h-Fluoren-2-ylimino)diethanol","","","","","","","","","","","","","","","","","","","","2,2'-(9h-Fluoren-2-ylimino)diethanol","","C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CCO)CCO","IGXYLBZHGRVGHD-UHFFFAOYSA-N","229461",NA,"PDBC11936","23175","Present"
-"2,2'-(Hexamethylenebisimino)bis(2,4,6-cycloheptatriene-1-one)","","","","","","","","","","","","","","","","","","","","2-[6-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]hexylamino]cyclohepta-2,4,6-trien-1-one","","C1=CC=C(C(=O)C=C1)NCCCCCCNC2=CC=CC=CC2=O","FISBDCLMYQDYAR-UHFFFAOYSA-N","358324",NA,"PDBC11937","618288","Present"
-"2,2'-(Hexane-1,6-diyl)bis(thiazole-4-carboxamide)","","","","","","","","","","","","","","","","","","","","2,2'-Hexane-1,6-diylbis(1,3-thiazole-4-carboxamide)","","C1=C(N=C(S1)CCCCCCC2=NC(=CS2)C(=O)N)C(=O)N","DJFLHEWVUZNPOD-UHFFFAOYSA-N","370578",NA,"PDBC11938","643831","Present"
-"2,2'-(Hexane-1,6-diyl)bis(thiazole-4-carboxylic acid ethyl) ester","","","","","","","","","","","","","","","","","","","","Diethyl 2,2'-hexane-1,6-diylbis(1,3-thiazole-4-carboxylate)","","CCOC(=O)C1=CSC(=N1)CCCCCCC2=NC(=CS2)C(=O)OCC","XACFDCPXQBGOLL-UHFFFAOYSA-N","370577",NA,"PDBC11939","643830","Present"
-"2,2'-(Methylenedithio)bisbenzothiazole","","","","","","","","","","","","","","","","","","","","AS97GT9Z98","","C1=CC=C2C(=C1)N=C(S2)SCSC3=NC4=CC=CC=C4S3","MXPRFFFCRFBOPX-UHFFFAOYSA-N","234859",NA,"PDBC11940","35582","Present"
-"2,2'-(Propan-2-ylimino)diacetic acid","","","","","","","","","","","","","","","","","","","","(ISOPROPYLIMINO)DIACETIC ACID","","CC(C)N(CC(=O)O)CC(=O)O","IWJJXDLQNGBAOG-UHFFFAOYSA-N","219559",NA,"PDBC11941","1004","Present"
-"2,2'-(Tetramethylenebisimino)bis(2,4,6-cycloheptatriene-1-one)","","","","","","","","","","","","","","","","","","","","2-[4-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]butylamino]cyclohepta-2,4,6-trien-1-one","","C1=CC=C(C(=O)C=C1)NCCCCNC2=CC=CC=CC2=O","ZIJSKIGHHIVMMT-UHFFFAOYSA-N","358328",NA,"PDBC11942","618292","Present"
-"2,2'-(Trimethylenebisimino)bis(2,4,6-cycloheptatriene-1-one)","","","","","","","","","","","","","","","","","","","","2-[3-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]propylamino]cyclohepta-2,4,6-trien-1-one","","C1=CC=C(C(=O)C=C1)NCCCNC2=CC=CC=CC2=O","RXJSJVSEMWQZBO-UHFFFAOYSA-N","358330",NA,"PDBC11943","618294","Present"
-"2,2'-Azobis(N-(2-hydroxyethyl)-2-methylpropionamide)","","","","","","","","","","","","","","","","","","","","2,2'-azobis[2-methyl-N-(2-hydroxyethyl)propionamide]","","CC(C)(C(=O)NCCO)N=NC(C)(C)C(=O)NCCO","WVFLGSMUPMVNTQ-UHFFFAOYSA-N","381605",NA,"PDBC11944","668415","Present"
-"2,2'-Azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride","","","","","","","","","","","","","","","","","","","","2,2'-azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride","","CC(C)(C1=NCCN1)N=NC(C)(C)C2=NCCN2.Cl","WYFGBFHRZGNGAU-UHFFFAOYSA-N","381604",NA,"PDBC11945","668413","Present"
-"2,2'-Bi-1,3,4-oxadiazole, 5,5'-dihydrazino-","","","","","","","","","","","","","","","","","","","","2,2'-Bi-1,3,4-oxadiazole, 5,5'-dihydrazino-","","C1(=NN=C(O1)NN)C2=NN=C(O2)NN","CWHNDTWCZGDTOT-UHFFFAOYSA-N","378682",NA,"PDBC11946","661585","Present"
-"2,2'-Bi[1-hydroxy-3-methyl-6-methoxy-9H-carbazole]","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol","","CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C5=C(N4)C=CC(=C5)OC)O)O)NC6=C2C=C(C=C6)OC","LOTTYLIBOWVVMM-UHFFFAOYSA-N","6712792",NA,"PDBC11947","713162","Present"
-"2,2'-Bibenzofuran, 5,5'-dimethoxy-","","","","","","","","","","","","","","","","","","","","2,2'-Bibenzofuran, 5,5'-dimethoxy-","","COC1=CC2=C(C=C1)OC(=C2)C3=CC4=C(O3)C=CC(=C4)OC","LKYICYKSSOWKGI-UHFFFAOYSA-N","360610",NA,"PDBC11948","622869","Present"
-"2,2'-Bioxirane","","","","","","","","","","","","","","","","","","","","Bioxiran","","C1C(O1)C2CO2","ZFIVKAOQEXOYFY-UHFFFAOYSA-N","11254",NA,"PDBC11949","629","Present"
-"2,2'-Bipyridilium-[2,2'-bipyridinetetrachlororuthenate(I...","","","","","","","","","","","","","","","","","","","","2,2'-Bipyridilium-[2,2'-bipyridinetetrachlororuthenate(I...","","","","",NA,"PDBC11950","630122","Present"
-"2,2'-Bithiophene-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","[2,2'-Bithiophene]-5-carboxaldehyde","","C1=CSC(=C1)C2=CC=C(S2)C=O","FYBWRAXKYXTOQC-UHFFFAOYSA-N","364428",NA,"PDBC11951","630688","Present"
-"2,2'-Cyclocytidine hydrochloride","","","","","","","","","","","","","","","","","","","","Ancitabine hydrochloride","","C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N.Cl","KZOWNALBTMILAP-UHFFFAOYSA-N","16757841",NA,"PDBC11952","145668","Present"
-"2,2'-Dihydroxychalcone","","","","","","","","","","","","","","","","","","","","NSC636811","","C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2O)O","KSHCTKZLHCSARH-MDZDMXLPSA-N","638277",NA,"PDBC11953","636811","Present"
-"2,2'-Diiodobiphenyl-4,4'-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","NSC159316","","C1=CC(=C(C=C1C(=O)O)I)C2=C(C=C(C=C2)C(=O)O)I","DDGDMKJKZZTSSB-UHFFFAOYSA-N","293029",NA,"PDBC11954","159316","Present"
-"2,2'-Dimethyl-6',7-epoxyberbaman-6,12-diol","","","","","","","","","","","","","","","","","","","","7,22-Dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.210,13.14,30.115,19.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13(36),15,17,19(35),25,27,32-dodecaene-16,27-diol","","CN1CCC2=CC3=C4C=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)O)O3)O","CUWLASKQLWUARF-UHFFFAOYSA-N","364104",NA,"PDBC11955","629745","Present"
-"2,2'-Diphenyl-2,3'-bi[1H-indole]-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-2-(2-phenyl-1H-indol-3-yl)-1H-indol-3-one","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4(C(=O)C5=CC=CC=C5N4)C6=CC=CC=C6","FGKFEGYYEYHMQQ-UHFFFAOYSA-N","360057",NA,"PDBC11956","621855","Present"
-"2,2'-Disulfanediylbis(6-methoxybenzoic acid)","","","","","","","","","","","","","","","","","","","","2,2'-Disulfanediylbis(6-methoxybenzoic acid)","","COC1=C(C(=CC=C1)SSC2=CC=CC(=C2C(=O)O)OC)C(=O)O","WUNQJVLDYBSFTF-UHFFFAOYSA-N","363956",NA,"PDBC11957","629493","Present"
-"2,2'-Disulfanediylbis[1-(4-chlorophenyl)ethanone]","","","","","","","","","","","","","","","","","","","","Bis(4-chlorophenacyl) persulfide","","C1=CC(=CC=C1C(=O)CSSCC(=O)C2=CC=C(C=C2)Cl)Cl","HWLHHXIRZITARP-UHFFFAOYSA-N","224213",NA,"PDBC11958","12549","Present"
-"2,2'-Dithiobis(5-chloroaniline)","","","","","","","","","","","","","","","","","","","","2-Amino-4-chlorophenyl disulfide","","C1=CC(=C(C=C1Cl)N)SSC2=C(C=C(C=C2)Cl)N","XMIKJNSWZZMXKK-UHFFFAOYSA-N","94742",NA,"PDBC11959","677447","Present"
-"2,2'-Methanediylbis(4-chloro-6-methylphenol)","","","","","","","","","","","","","","","","","","","","PLYLXUREZURVOA-UHFFFAOYSA-N","","CC1=CC(=CC(=C1O)CC2=C(C(=CC(=C2)Cl)C)O)Cl","PLYLXUREZURVOA-UHFFFAOYSA-N","253827",NA,"PDBC11960","77122","Present"
-"2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)","","","","","","","","","","","","","","","","","","","","ao 425","","CCC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)CC)C(C)(C)C)O","GPNYZBKIGXGYNU-UHFFFAOYSA-N","6928",NA,"PDBC11961","7782","Present"
-"2,2'-Methylenebis(4-methyl-6-tert-butylphenol)","","","","","","","","","","","","","","","","","","","","anti ox","","CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O","KGRVJHAUYBGFFP-UHFFFAOYSA-N","8398",NA,"PDBC11962","7781","Present"
-"2,2'-Methyliminobis(ethyleneiminomethylene)bispyridine","","","","","","","","","","","","","","","","","","","","1,7-Bis(2-methylpyridine)-4-methyl-1,4,7-triazaheptane p...","","CN(CCNCC1=CC=CC=N1)CCNCC2=CC=CC=N2","CHFNQDVXSWSOSP-UHFFFAOYSA-N","53720959",NA,"PDBC11963","789879","Present"
-"2,2'-Oxybis(1,3,2-benzodioxarsole)","","","","","","","","","","","","","","","","","","","","Pyrocatechol, cyclic arsenite","","C1=CC=C2C(=C1)O[As](O2)O[As]3OC4=CC=CC=C4O3","OSBURWQDSIHTRB-UHFFFAOYSA-N","291833",NA,"PDBC11964","157382","Present"
-"2,2'-Oxybis(1,4-phenylenenitrilomethylidyne)bis(4-bromophenol)","","","","","","","","","","","","","","","","","","","","STK180660","","C1=CC(=CC=C1N=CC2=C(C=CC(=C2)Br)O)OC3=CC=C(C=C3)N=CC4=C(C=CC(=C4)Br)O","PHERVYAPPVPBKT-UHFFFAOYSA-N","359105",NA,"PDBC11965","619687","Present"
-"2,2'-Piperazine-1,4-diylbis(3-chloronaphthoquinone)","","","","","","","","","","","","","","","","","","","","1,4-naphthoquinone, 2,2'-(1,4-piperazinediyl)bis[3-chloro-","","C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl","LLEAFADFRDXABW-UHFFFAOYSA-N","237101",NA,"PDBC11966","40341","Present"
-"2,2'-Spirobi[1,3-dihydroindene]-5-ylmethanol","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[1,3-dihydroindene]-5-ylmethanol","","C1C2=C(CC13CC4=CC=CC=C4C3)C=C(C=C2)CO","PFYGYBWDHVSQPD-UHFFFAOYSA-N","385713",NA,"PDBC11967","677059","Present"
-"2,2'-Spirobi[2H-benz[e]indene]-1,1'(3'H,3H)-dione, 6,6',7,7',8,8',9,9'-octahydro-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-benz[e]indene]-1,1'(3'H,3H)-dione, 6,6',7,7',8,8',9,9'-octahydro-","","C1CCC2=C(C1)C=CC3=C2C(=O)C4(C3)CC5=C(C4=O)C6=C(CCCC6)C=C5","KFFVZCVWWLIUSG-UHFFFAOYSA-N","382777",NA,"PDBC11968","670455","Present"
-"2,2'-Spirobi[2H-benz[e]indene]-9,9'(1'H,1H)-dione, 5,5'-diethyl-3,3',6,6',7,7',8,8'-octahydro-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-benz[e]indene]-9,9'(1'H,1H)-dione, 5,5'-diethyl-3,3',6,6',7,7',8,8'-octahydro-","","CCC1=C2CCCC(=O)C2=C3CC4(CC3=C1)CC5=CC(=C6CCCC(=O)C6=C5C4)CC","AJJGJFZGWRUKCQ-UHFFFAOYSA-N","382637",NA,"PDBC11969","670286","Present"
-"2,2'-Spirobi[2H-benz[f]inden]-5(1H)-one, 4'-acetyl-1',3,3',5',6,6',7,7',8,8'-decahydro-","","","","","","","","","","","","","","","","","","","","4-Acetylspiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5'-one","","CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6C(=C5)CCCC6=O","GCPNCPDTRKNBFJ-UHFFFAOYSA-N","382750",NA,"PDBC11970","670428","Present"
-"2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxaldehyde, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxaldehyde, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-","","C1CCC2=C(C3=C(CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C=O)C=C2C1)C=O","ZWQLBQFKDGWFBS-UHFFFAOYSA-N","382752",NA,"PDBC11971","670430","Present"
-"2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, dimethyl ester","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, dimethyl ester","","COC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)OC","BMILKYGZWIJPNH-UHFFFAOYSA-N","382753",NA,"PDBC11972","670431","Present"
-"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester","","COC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCCC6=C5","QHYXYMLEDJUNMQ-UHFFFAOYSA-N","382749",NA,"PDBC11973","670427","Present"
-"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-acetyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-acetyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester","","CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)OC","VVJDYOLCEIQYJL-UHFFFAOYSA-N","382754",NA,"PDBC11974","670432","Present"
-"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-ethyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-ethyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester","","CCC1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)OC","BDFQTUYUSGKRDS-UHFFFAOYSA-N","382756",NA,"PDBC11975","670434","Present"
-"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-formyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-formyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester","","COC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C=O","DUJICMBMSJYNPU-UHFFFAOYSA-N","382755",NA,"PDBC11976","670433","Present"
-"2,2'-Spirobi[2H-inden]-1(3H)-one, 1',3'-dihydro-4,4'-dimethyl-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-inden]-1(3H)-one, 1',3'-dihydro-4,4'-dimethyl-","","CC1=C2CC3(CC2=CC=C1)CC4=C(C=CC=C4C3=O)C","NUTHRUHEUNVISX-UHFFFAOYSA-N","382656",NA,"PDBC11977","670304","Present"
-"2,2'-Spirobi[2H-inden]-1(3H)-one, 1',3'-dihydro-5',6-dimethyl-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-inden]-1(3H)-one, 1',3'-dihydro-5',6-dimethyl-","","CC1=CC2=C(CC3(C2)CC4=C(C3=O)C=C(C=C4)C)C=C1","JFUNQSZGTSZUHR-UHFFFAOYSA-N","382655",NA,"PDBC11978","670303","Present"
-"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 4,4'-dimethyl-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 4,4'-dimethyl-","","CC1=C2CC3(CC4=C(C=CC=C4C3=O)C)C(=O)C2=CC=C1","DANWWUCXDKCMTJ-UHFFFAOYSA-N","382770",NA,"PDBC11979","670448","Present"
-"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 4,5'-dimethyl-","","","","","","","","","","","","","","","","","","","","4',5-Dimethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=CC2=C(C=C1)C(=O)C3(C2)CC4=C(C=CC=C4C3=O)C","LXZLFIFZFBIBIZ-UHFFFAOYSA-N","385728",NA,"PDBC11980","677075","Present"
-"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 4-methyl-","","","","","","","","","","","","","","","","","","","","4'-Methyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=C2CC3(CC4=CC=CC=C4C3=O)C(=O)C2=CC=C1","ZRRNYIMZJLXPON-UHFFFAOYSA-N","385730",NA,"PDBC11981","677077","Present"
-"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 5,5'-dimethyl-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 5,5'-dimethyl-","","CC1=CC2=C(C=C1)C(=O)C3(C2)CC4=C(C3=O)C=CC(=C4)C","UJXKFTHDGFMVQL-UHFFFAOYSA-N","382771",NA,"PDBC11982","670449","Present"
-"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 5,7'-dimethyl-","","","","","","","","","","","","","","","","","","","","5',7-Dimethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=CC2=C(C=C1)C(=O)C3(C2)CC4=CC=CC(=C4C3=O)C","IXFSVXQNBWXJQE-UHFFFAOYSA-N","385733",NA,"PDBC11983","677080","Present"
-"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 5-methyl-","","","","","","","","","","","","","","","","","","","","5'-Methyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=CC2=C(C=C1)C(=O)C3(C2)CC4=CC=CC=C4C3=O","QLFIIUJTKPXBNA-UHFFFAOYSA-N","385731",NA,"PDBC11984","677078","Present"
-"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6,6'-dimethyl-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6,6'-dimethyl-","","CC1=CC2=C(CC3(C2=O)CC4=C(C3=O)C=C(C=C4)C)C=C1","NKWKTWPRKATJDK-UHFFFAOYSA-N","382769",NA,"PDBC11985","670447","Present"
-"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6,7'-dimethyl-","","","","","","","","","","","","","","","","","","","","6,7'-Dimethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=CC2=C(CC3(C2=O)CC4=CC=CC(=C4C3=O)C)C=C1","UNAGLJYTOBGKMU-UHFFFAOYSA-N","385727",NA,"PDBC11986","677074","Present"
-"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6-methyl-","","","","","","","","","","","","","","","","","","","","6-Methyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=CC2=C(CC3(C2=O)CC4=CC=CC=C4C3=O)C=C1","PRJYHNITQCDTKY-UHFFFAOYSA-N","385729",NA,"PDBC11987","677076","Present"
-"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 7-methyl-","","","","","","","","","","","","","","","","","","","","7'-Methyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=C2C(=CC=C1)CC3(C2=O)CC4=CC=CC=C4C3=O","WAHMPYXDAXDXOO-UHFFFAOYSA-N","385732",NA,"PDBC11988","677079","Present"
-"2,2'-Spirobi[2H-indene]-5,5'-dibutanoic acid, 1,1',3,3'-tetrahydro-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-indene]-5,5'-dibutanoic acid, 1,1',3,3'-tetrahydro-","","C1C2=C(CC13CC4=C(C3)C=C(C=C4)CCCC(=O)O)C=C(C=C2)CCCC(=O)O","PJCMQCCSTFYTBF-UHFFFAOYSA-N","382757",NA,"PDBC11989","670435","Present"
-"2,2'-Spirobi[2H-indene]-5,5'-dipropanoic acid, 1,1',3,3'-tetrahydro-, dimethyl ester","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-indene]-5,5'-dipropanoic acid, 1,1',3,3'-tetrahydro-, dimethyl ester","","COC(=O)CCC1=CC2=C(CC3(C2)CC4=C(C3)C=C(C=C4)CCC(=O)OC)C=C1","UAQQDFQKGYGTSM-UHFFFAOYSA-N","382745",NA,"PDBC11990","670423","Present"
-"2,2'-Spirobi[2H-indene]-5-butanoic acid, 1,1',3,3'-tetrahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-indene]-5-butanoic acid, 1,1',3,3'-tetrahydro-, methyl ester","","COC(=O)CCCC1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1","YFRPNPMAVUXPII-UHFFFAOYSA-N","382742",NA,"PDBC11991","670420","Present"
-"2,2'-Spirobi[2H-indene]-5-butanoic acid, 5'-carboxy-6-ethyl-1,1',3,3'-tetrahydro-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-indene]-5-butanoic acid, 5'-carboxy-6-ethyl-1,1',3,3'-tetrahydro-","","CCC1=C(C=C2CC3(CC4=C(C3)C=C(C=C4)C(=O)O)CC2=C1)CCCC(=O)O","IJXUAEAOFQKZJH-UHFFFAOYSA-N","382640",NA,"PDBC11992","670288","Present"
-"2,2'-Spirobi[2H-indene]-5-carboxylic acid, 1,1',3,3'-tetrahydro-1'-oxo-","","","","","","","","","","","","","","","","","","","","3'-Oxospiro[1,3-dihydroindene-2,2'-1H-indene]-5-carboxylic acid","","C1C2=C(CC13CC4=CC=CC=C4C3=O)C=C(C=C2)C(=O)O","FQTZJJIQXAJOOW-UHFFFAOYSA-N","384727",NA,"PDBC11993","674963","Present"
-"2,2'-Spirobi[2H-indene]-5-carboxylic acid, 1,1',3,3'-tetrahydro-1'-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-indene]-5-carboxylic acid, 1,1',3,3'-tetrahydro-1'-oxo-, methyl ester","","COC(=O)C1=CC2=C(CC3(C2)CC4=CC=CC=C4C3=O)C=C1","RJBGYEUVIFZJGS-UHFFFAOYSA-N","382658",NA,"PDBC11994","670306","Present"
-"2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-","","C1C2=C(CC13CC4=CC=CC=C4C3)C=C(C=C2)CCC(=O)O","UJQZMEIQNVWTFM-UHFFFAOYSA-N","382739",NA,"PDBC11995","670417","Present"
-"2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-, methyl ester","","COC(=O)CCC1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1","FBSPLRDIDLJAFT-UHFFFAOYSA-N","382740",NA,"PDBC11996","670418","Present"
-"2,2'-Spirobi[3,5,6,7-tetrahydro-s-indacene]-1,1'-dione","","","","","","","","","","","","","","","","","","","","2,2'(1H,1'H)-Spirobi[s-indacene]-1,1'-dione, 3,3',5,5',6,6',7,7'-octahydro-","","C1CC2=CC3=C(C=C2C1)C(=O)C4(C3)CC5=C(C4=O)C=C6CCCC6=C5","YCYKVXFWSKERCH-UHFFFAOYSA-N","384709",NA,"PDBC11997","674945","Present"
-"2,2'-Spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[2H-benz[f]indene]-5,5'-dione, 1,1',3,3',5,5...","","C1CC2=CC3=C(CC4(C3)CC5=C(C4)C=C6C(=C5)CCCC6=O)C=C2C(=O)C1","AKPUCJQSLKCIIJ-UHFFFAOYSA-N","382634",NA,"PDBC11998","670283","Present"
-"2,2'-Spirobi[5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-3,3'-dione","","","","","","","","","","","","","","","","","","","","2,2'-Spirobi[5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-3,3'-dione","","C1CCC2=CC3=C(CC4(C3=O)CC5=C(C4=O)C=C6CCCCC6=C5)C=C2C1","VKMWHPCYDCLWQX-UHFFFAOYSA-N","384717",NA,"PDBC11999","674953","Present"
-"2,2'-Spirobiindan-5-carbaldehyd","","","","","","","","","","","","","","","","","","","","2,2'-Spirobiindan-5-carbaldehyd","","C1C2=C(CC13CC4=CC=CC=C4C3)C=C(C=C2)C=O","LWQRLWQWMXFJQD-UHFFFAOYSA-N","382736",NA,"PDBC12000","670414","Present"
-"2,2'-Spirobiindanon","","","","","","","","","","","","","","","","","","","","2,2'-Spirobiindanon","","C1C2=CC=CC=C2CC13CC4=CC=CC=C4C3=O","BAYHTRRWPFVBSU-UHFFFAOYSA-N","385659",NA,"PDBC12001","677005","Present"
-"2,2'-Thiobis[4-bromophenol]","","","","","","","","","","","","","","","","","","","","NSC106085","","C1=CC(=C(C=C1Br)SC2=C(C=CC(=C2)Br)O)O","HQRWNPFVXNLBJX-UHFFFAOYSA-N","219589",NA,"PDBC12002","106085","Present"
-"2,2'-[(2,6-Dimethyl-1,4-dihydropyridine-3,5-diyl)bis(carbonylhydrazine-2,1-diyl)]bis(2-oxoacetamide)","","","","","","","","","","","","","","","","","","","","2,2'-[(2,6-Dimethyl-1,4-dihydropyridine-3,5-diyl)bis(carbonylhydrazine-2,1-diyl)]bis(2-oxoacetamide)","","CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C(=O)N)C(=O)NNC(=O)C(=O)N","JCIZQUPIWRPYJT-UHFFFAOYSA-N","377035",NA,"PDBC12003","658252","Present"
-"2,2'-[(Benzylimino)bis(2-hydroxypropane-3,1-diyl)]bis[4,6-dimethylisothiazolo[5,4-b]pyridine-3(2H)-one]","","","","","","","","","","","","","","","","","","","","2-[3-[Benzyl-[3-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-2-hydroxypropyl]amino]-2-hydroxypropyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one","","CC1=CC(=NC2=C1C(=O)N(S2)CC(CN(CC3=CC=CC=C3)CC(CN4C(=O)C5=C(S4)N=C(C=C5C)C)O)O)C","PHNZSZARZOGBKP-UHFFFAOYSA-N","401231",NA,"PDBC12004","714438","Present"
-"2,2'-[(E)-Ethene-1,2-diyl]bis(4,4-dimethyl-2-oxazoline)","","","","","","","","","","","","","","","","","","","","2-[(E)-2-(4,4-Dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole","","CC1(COC(=N1)C=CC2=NC(CO2)(C)C)C","PXWBFBGUOIFCFI-AATRIKPKSA-N","5472250",NA,"PDBC12005","717227","Present"
-"2,2'-[(Methylazanediyl)bis(methylene)]bis(4,6-dibromophenol)","","","","","","","","","","","","","","","","","","","","2,4-Dibromo-6-[[(3,5-dibromo-2-hydroxyphenyl)methyl-methylamino]methyl]phenol","","CN(CC1=C(C(=CC(=C1)Br)Br)O)CC2=C(C(=CC(=C2)Br)Br)O","GPUQTFCKYDVYTD-UHFFFAOYSA-N","241461",NA,"PDBC12006","48856","Present"
-"2,2'-[(Tert-Butylazanediyl)bis(methylene)]bis(1-phenylprop-2-en-1-one)","","","","","","","","","","","","","","","","","","","","2-[[2-Benzoylprop-2-enyl(tert-butyl)amino]methyl]-1-phenylprop-2-en-1-one","","CC(C)(C)N(CC(=C)C(=O)C1=CC=CC=C1)CC(=C)C(=O)C2=CC=CC=C2","ZNBGMAWFRAVLSE-UHFFFAOYSA-N","329639",NA,"PDBC12007","313430","Present"
-"2,2'-[1,2-Phenylenebis(2,1-ethynediyl)]bispyrazine","","","","","","","","","","","","","","","","","","","","2,2'-[1,2-Phenylenebis(2,1-ethynediyl)]bispyrazine","","C1=CC=C(C(=C1)C#CC2=NC=CN=C2)C#CC3=NC=CN=C3","JCOXWRIPTHFQGY-UHFFFAOYSA-N","11471574",NA,"PDBC12008","728063","Present"
-"2,2'-[2,2,2-Trichloroethylidenebis(2,4,6-trichloro-3,1-phenyleneoxy)]bisacetic acid","","","","","","","","","","","","","","","","","","","","2-[3-[1-[3-(Carboxymethoxy)-2,4,6-trichlorophenyl]-2,2,2-trichloroethyl]-2,4,6-trichlorophenoxy]acetic acid","","C1=C(C(=C(C(=C1Cl)OCC(=O)O)Cl)C(C2=C(C(=C(C=C2Cl)Cl)OCC(=O)O)Cl)C(Cl)(Cl)Cl)Cl","HRGNUJICNHWJBA-UHFFFAOYSA-N","402642",NA,"PDBC12009","716817","Present"
-"2,2'-[Iminobis(p-phenylene)]bis[5-benzoyl-4,5,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3(2H,3aH)-dione]","","","","","","","","","","","","","","","","","","","","9-Benzoyl-2-[4-[4-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)anilino]phenyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione","","C1C2C(CC3=C1C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)C(=O)N(C2=O)C6=CC=C(C=C6)NC7=CC=C(C=C7)N8C(=O)C9CC1=C(CC9C8=O)N(C2=CC=CC=C12)C(=O)C1=CC=CC=C1","HLAKLQHSCSQERH-UHFFFAOYSA-N","399652",NA,"PDBC12010","710570","Present"
-"2,2'-biphenylene-2,3-diyldipropan-2-ol","","","","","","","","","","","","","","","","","","","","2,2'-biphenylene-2,3-diyldipropan-2-ol","","CC(C)(C1=C(C=C2C3=CC=CC=C3C2=C1)C(C)(C)O)O","ADHARPKLSLMHTA-UHFFFAOYSA-N","393453",NA,"PDBC12011","695361","Present"
-"2,2'-spirobi[indane]-1'-ol","","","","","","","","","","","","","","","","","","","","2,2'-spirobi[indane]-1'-ol","","C1C2=CC=CC=C2CC13CC4=CC=CC=C4C3O","KUXFQQAPAYYJSE-UHFFFAOYSA-N","382657",NA,"PDBC12012","670305","Present"
-"2,2'-spirobi[indane]-5,5'-dicarbaldehyde","","","","","","","","","","","","","","","","","","","","2,2'-spirobi[indane]-5,5'-dicarbaldehyde","","C1C2=C(CC13CC4=C(C3)C=C(C=C4)C=O)C=C(C=C2)C=O","VPVBRPGAAPMUKK-UHFFFAOYSA-N","382743",NA,"PDBC12013","670421","Present"
-"2,2':3',2''-Ternaphthalene-1,1',1'',4,4',4''-hexone","","","","","","","","","","","","","","","","","","","","2,2':3',2''-Ternaphthalene-1,1',1'',4,4',4''-hexone","","C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3=C(C(=O)C4=CC=CC=C4C3=O)C5=CC(=O)C6=CC=CC=C6C5=O","JIVXUZHUGUHWIF-UHFFFAOYSA-N","394543",NA,"PDBC12014","698088","Present"
-"2,2':3',2''-Terthiophene","","","","","","","","","","","","","","","","","","","","X4145","","C1=CSC(=C1)C2=C(SC=C2)C3=CC=CS3","SBVKMIQOXJYJIM-UHFFFAOYSA-N","395532",NA,"PDBC12015","700222","Present"
-"2,2':4',2''-Terthiophene","","","","","","","","","","","","","","","","","","","","Q27121899","","C1=CSC(=C1)C2=CC(=CS2)C3=CC=CS3","DNAIRPZIPJONCV-UHFFFAOYSA-N","395533",NA,"PDBC12016","700224","Present"
-"2,2':4',3''-Terthiophene","","","","","","","","","","","","","","","","","","","","2-(2-Thienyl)-4-(3-thienyl)thiophene","","C1=CSC(=C1)C2=CC(=CS2)C3=CSC=C3","GSPDNJBBBDKLTN-UHFFFAOYSA-N","395541",NA,"PDBC12017","700233","Present"
-"2,2':4,5]Pyrrolo[1,2-C][1,2,3]benzotriazine","","","","","","","","","","","","","","","","","","","","2,3-DIMETHOXY-1-NITROSOPYRIDO[3',2':4,5]PYRROLO[1,2-C][1...","","COC1=C(C=C2C(=C1)C3=C(C4=C(N3N=N2)N=CC=C4)N=O)OC","NUOXXBSZMYVIBM-UHFFFAOYSA-N","54613655",NA,"PDBC12018","747652","Present"
-"2,2':4,5]Pyrrolo[3,2-C]cinnoline","","","","","","","","","","","","","","","","","","","","2,3-DIMETHOXY-5H-PYRIDO[3',2':4,5]PYRROLO[3,2-C]CINNOLINE","","COC1=C(C=C2C(=C1)C3=C(C4=C(N3)N=CC=C4)N=N2)OC","CVWFCHIPHIRPJF-UHFFFAOYSA-N","54613653",NA,"PDBC12019","747650","Present"
-"2,2':5',2''-Terfuran-5,5''-bismethanol","","","","","","","","","","","","","","","","","","","","5,5''-Dihydroxymethyl-2,2',5',2''-terfuran","","C1=C(OC(=C1)C2=CC=C(O2)C3=CC=C(O3)CO)CO","KSYJABTUUWKBFC-UHFFFAOYSA-N","10563267",NA,"PDBC12020","672348","Present"
-"2,2':5',3''-Terthiophene","","","","","","","","","","","","","","","","","","","","Q27121895","","C1=CSC(=C1)C2=CC=C(S2)C3=CSC=C3","AYFTWZXEBAYLHM-UHFFFAOYSA-N","395535",NA,"PDBC12021","700226","Present"
-"2,2':6',2''-Terpyridine","","","","","","","","","","","","","","","","","","","",".alpha.,.alpha.',.alpha.''-Tripyridyl///tripyridyl","","C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3","DRGAZIDRYFYHIJ-UHFFFAOYSA-N","70848",NA,"PDBC12022","36755///3905","Present"
-"2,2(1H)-Naphthalenedipropanenitrile, 3,4-dihydro-1-oxo-","","","","","","","","","","","","","","","","","","","","3-[2-(2-Cyanoethyl)-1-oxo-tetralin-2-yl]propanenitrile","","C1CC(C(=O)C2=CC=CC=C21)(CCC#N)CCC#N","HKVIHDTVSGQETE-UHFFFAOYSA-N","380758",NA,"PDBC12023","666466","Present"
-"2,2,2-Trichloro-1-(5-(3-methyl-5-isoxazolyl)-1H-pyrrol-2-yl)ethanone","","","","","","","","","","","","","","","","","","","","2,2,2-Trichloro-1-(5-(3-methyl-5-isoxazolyl)-1H-pyrrol-2-yl)ethanone","","CC1=NOC(=C1)C2=CC=C(N2)C(=O)C(Cl)(Cl)Cl","GHWKTZLPCIUYAV-UHFFFAOYSA-N","392533",NA,"PDBC12024","693049","Present"
-"2,2,2-Trichloro-N-[(1E)-1-trimethylsilylbuta-1,3-dienyl]acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trichloro-N-[(1E)-1-trimethylsilylbuta-1,3-dienyl]acetamide","","C[Si](C)(C)C(=CC=C)NC(=O)C(Cl)(Cl)Cl","OFYUTQCZKGDROE-VOTSOKGWSA-N","5386714",NA,"PDBC12025","617335","Present"
-"2,2,2-Trichloro-N-[(E)-3-dimethoxyphosphoryl-1-phenylprop-2-enyl]acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trichloro-N-[(E)-3-dimethoxyphosphoryl-1-phenylprop-2-enyl]acetamide","","COP(=O)(C=CC(C1=CC=CC=C1)NC(=O)C(Cl)(Cl)Cl)OC","HNQAAPCNCAGSJB-CMDGGOBGSA-N","5470786",NA,"PDBC12026","705131","Present"
-"2,2,2-Trichloroethyl (3R)-3-cyclohexylpyrrolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","NSC697388","","C1CCC(CC1)C2CCN(C2)C(=O)OCC(Cl)(Cl)Cl","GZKGPCKVFMKVNB-NSHDSACASA-N","394154",NA,"PDBC12027","697388","Present"
-"2,2,2-Trichloroethyl 2,2-diethoxyethyl(methyl)carbamate","","","","","","","","","","","","","","","","","","","","2,2,2-Trichloroethyl 2,2-diethoxyethyl(methyl)carbamate","","CCOC(CN(C)C(=O)OCC(Cl)(Cl)Cl)OCC","NYMZRSXIJBXEOP-UHFFFAOYSA-N","337570",NA,"PDBC12028","356124","Present"
-"2,2,2-Trichloroethyl N-(4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl)carbamate","","","","","","","","","","","","","","","","","","","","2,2,2-Trichloroethyl N-(4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl)carbamate","","CC1C(C2C(C(O1)OC)OC(O2)(C)C)NC(=O)OCC(Cl)(Cl)Cl","YFKJKRUBPJRRGY-UHFFFAOYSA-N","375639",NA,"PDBC12029","655461","Present"
-"2,2,2-Trifluoro-1-((6-methyl-4-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-2-pyridinyl)methyl)-1-(trifluoromethyl)ethyl acetate","","","","","","","","","","","","","","","","","","","","Acetic acid, 1,1,1-trifluoro-2-(trifluoromethyl)- 3-[4-[...","","CC1=CC(=CC(=N1)CC(C(F)(F)F)(C(F)(F)F)OC(=O)C)C=C(C(F)(F)F)C(F)(F)F","UOBWIWXRJULNDE-UHFFFAOYSA-N","379616",NA,"PDBC12030","664323","Present"
-"2,2,2-Trifluoro-1-(2-quinolinylmethyl)-1-(trifluoromethyl)ethyl acetate","","","","","","","","","","","","","","","","","","","","Acetic acid, 1,1,1-trifluoro-2-(trifluoromethyl)-3-(2-qu...","","CC(=O)OC(CC1=NC2=CC=CC=C2C=C1)(C(F)(F)F)C(F)(F)F","BKFHAXQKLFFRNM-UHFFFAOYSA-N","379602",NA,"PDBC12031","664303","Present"
-"2,2,2-Trifluoro-1-(7-hydroxy-9-methoxy-7-(trifluoromethyl)-7,12-dihydrobenzo[c]acridin-5-yl)ethanone","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-1-(7-hydroxy-9-methoxy-7-(trifluoromethyl)-7,12-dihydrobenzo[c]acridin-5-yl)ethanone","","COC1=CC2=C(C=C1)NC3=C(C2(C(F)(F)F)O)C=C(C4=CC=CC=C43)C(=O)C(F)(F)F","KVKAGQUIZDIOTF-UHFFFAOYSA-N","372108",NA,"PDBC12032","646982","Present"
-"2,2,2-Trifluoro-1-[1-(4-methoxyphenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-1-[1-(4-methoxyphenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]ethanone","","CC1=C(C(=CN1C2=CC=C(C=C2)OC)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(F)(F)F","LAKYKMAFLCVVJB-UHFFFAOYSA-N","45027962",NA,"PDBC12033","740353","Present"
-"2,2,2-Trifluoro-1-[15-methoxy-13-nitro-9-(2,2,2-trifluoroacetyl)-6-oxa-3,9-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-1-[15-methoxy-13-nitro-9-(2,2,2-trifluoroacetyl)-6-oxa-3,9-diazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]ethanone","","COC1=C2CN(CCOCCN(CC1=CC(=C2)[N+](=O)[O-])C(=O)C(F)(F)F)C(=O)C(F)(F)F","OBKDQBQASJHSIQ-UHFFFAOYSA-N","394570",NA,"PDBC12034","698136","Present"
-"2,2,2-Trifluoro-1-[2-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-benzo[h]quinazolin-6-yl]ethanone","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-1-[2-isopropyl-2-methyl-4-(trifluoromethyl)-3h-benzo[h]quinazolin-6-yl]ethanone","","CC(C)C1(NC2=C(C=C(C3=CC=CC=C32)C(=O)C(F)(F)F)C(=N1)C(F)(F)F)C","DHOGJOPTAKYHTD-UHFFFAOYSA-N","135426671",NA,"PDBC12035","706491","Present"
-"2,2,2-Trifluoro-1-[4-(trifluoromethyl)spiro[1H-benzo[h]quinazoline-2,1'-cyclohexane]-6-yl]ethanone","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-1-[4-(trifluoromethyl)spiro[1H-benzo[h]quinazoline-2,1'-cyclohexane]-6-yl]ethanone","","C1CCC2(CC1)NC3=C(C=C(C4=CC=CC=C43)C(=O)C(F)(F)F)C(=N2)C(F)(F)F","BNEIHCFIMLEFNN-UHFFFAOYSA-N","135426727",NA,"PDBC12036","711692","Present"
-"2,2,2-Trifluoro-1-[6-(2,2,2-trifluoroacetyl)-1,2-dihydroacenaphthylen-5-yl]ethanone","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-1-[6-(2,2,2-trifluoroacetyl)-1,2-dihydroacenaphthylen-5-yl]ethanone","","C1CC2=CC=C(C3=C(C=CC1=C23)C(=O)C(F)(F)F)C(=O)C(F)(F)F","XMXQABLRJYALBF-UHFFFAOYSA-N","358621",NA,"PDBC12037","618629","Present"
-"2,2,2-Trifluoro-N-(2-methoxy-4-nitrophenyl)acetamide","","","","","","","","","","","","","","","","","","","","STK412311","","COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(F)(F)F","LREYANUORWHHDJ-UHFFFAOYSA-N","354342",NA,"PDBC12038","605765","Present"
-"2,2,2-Trifluoro-N-(2-oxocyclopentyl)acetamide","","","","","","","","","","","","","","","","","","","","F9994-6556","","C1CC(C(=O)C1)NC(=O)C(F)(F)F","YGPMJMUHCRQNQP-UHFFFAOYSA-N","358975",NA,"PDBC12039","619171","Present"
-"2,2,2-Trifluoro-N-(2-propynyl)-N-(4-(4-(2-propynyl(trifluoroacetyl)amino)benzoyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-N-(2-propynyl)-N-(4-(4-(2-propynyl(trifluoroacetyl)amino)benzoyl)phenyl)acetamide","","C#CCN(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC#C)C(=O)C(F)(F)F)C(=O)C(F)(F)F","KJCCXICGSJYVMF-UHFFFAOYSA-N","365543",NA,"PDBC12040","633244","Present"
-"2,2,2-Trifluoro-N-(3-((2-naphthylmethyl)(4-((2-naphthylmethyl)(3-((trifluoroacetyl)amino)propyl)amino)butyl)amino)propyl)acetamide","","","","","","","","","","","","","","","","","","","","1,4-Butanediamine, N,N'-bis[(2-naphthalenyl)methyl- N,N'...","","C1=CC=C2C=C(C=CC2=C1)CN(CCCCN(CCCNC(=O)C(F)(F)F)CC3=CC4=CC=CC=C4C=C3)CCCNC(=O)C(F)(F)F","UXFATSAFEVUKRA-UHFFFAOYSA-N","389638",NA,"PDBC12041","685981","Present"
-"2,2,2-Trifluoro-N-(3-((2-naphthylmethyl)(4-((trifluoroacetyl)amino)butyl)amino)propyl)acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-N-(3-((2-naphthylmethyl)(4-((trifluoroacetyl)amino)butyl)amino)propyl)acetamide","","C1=CC=C2C=C(C=CC2=C1)CN(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","QEMWHBAKPACNCO-UHFFFAOYSA-N","389626",NA,"PDBC12042","685972","Present"
-"2,2,2-Trifluoro-N-(4-hydroxy-3-methoxybenzyl)-N-(10-undecenoyloxy)acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-N-(4-hydroxy-3-methoxybenzyl)-N-(10-undecenoyloxy)acetamide","","COC1=C(C=CC(=C1)CN(C(=O)C(F)(F)F)OC(=O)CCCCCCCCC=C)O","GUWJDYGTQODFBK-UHFFFAOYSA-N","379576",NA,"PDBC12043","664265","Present"
-"2,2,2-Trifluoro-N-(4-hydroxybut-2-ynyl)acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-N-(4-hydroxybut-2-ynyl)acetamide","","C(C#CCO)NC(=O)C(F)(F)F","KCELTCFMLPYTQM-UHFFFAOYSA-N","359213",NA,"PDBC12044","619922","Present"
-"2,2,2-Trifluoro-N-(6-methoxy-2-phenyl-8-propyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-N-(6-methoxy-2-phenyl-8-propyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide","","CCCC1(CC(OC2C1OC(OC2)C3=CC=CC=C3)OC)NC(=O)C(F)(F)F","WHOKFUQXNVEIBT-UHFFFAOYSA-N","384395",NA,"PDBC12045","674118","Present"
-"2,2,2-Trifluoro-N-(6-methoxy-8-methyl-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-N-(6-methoxy-8-methyl-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide","","CC1(CC(OC2C1OC(OC2)C3=CC=CC=C3)OC)NC(=O)C(F)(F)F","JSDNZWQQFHOALK-UHFFFAOYSA-N","384393",NA,"PDBC12046","674116","Present"
-"2,2,2-Trifluoro-N-[1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-N-[1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]acetamide","","C1CN=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC(=O)C(F)(F)F","UBNZLSBEHXCJSC-UHFFFAOYSA-N","379720",NA,"PDBC12047","664696","Present"
-"2,2,2-Trifluoro-N-[2-[3-(4-methoxybenzoyl)-1H-indol-2-yl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-N-[2-[3-(4-methoxybenzoyl)-1H-indol-2-yl]phenyl]acetamide","","COC1=CC=C(C=C1)C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4NC(=O)C(F)(F)F","VMBHYKCXIBWLRW-UHFFFAOYSA-N","402839",NA,"PDBC12048","717092","Present"
-"2,2,2-Trifluoro-N-[2-[5-oxo-3-[2-oxo-2-(phenylcarbamoylamino)ethyl]sulfanyl-4H-1,2,4-triazin-6-yl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-N-[2-[5-oxo-3-[2-oxo-2-(phenylcarbamoylamino)ethyl]sulfanyl-4H-1,2,4-triazin-6-yl]phenyl]acetamide","","C1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(C(=O)N2)C3=CC=CC=C3NC(=O)C(F)(F)F","CSAPRDGWGJGMEV-UHFFFAOYSA-N","135438258",NA,"PDBC12049","623088","Present"
-"2,2,2-Trifluoro-N-[3-[3-phenylpropyl-[4-[3-phenylpropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]acetamide","","","","","","","","","","","","","","","","","","","","2,2,2-Trifluoro-N-[3-[3-phenylpropyl-[4-[3-phenylpropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]acetamide","","C1=CC=C(C=C1)CCCN(CCCCN(CCCC2=CC=CC=C2)CCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","XQSNHBODALMVGJ-UHFFFAOYSA-N","389635",NA,"PDBC12050","685979","Present"
-"2,2,2-Trifluoroethyl N-(1,3-benzothiazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","2H-1-Benzothiazol-2-yl-carbamic acid, 2,2,2-trifluoro-et...","","C1=CC=C2C(=C1)N=C(S2)NC(=O)OCC(F)(F)F","PQTVLABBSSEIMV-UHFFFAOYSA-N","45792391",NA,"PDBC12051","764927","Present"
-"2,2,21,21-Tetraoxo-2lambda6,21lambda6-dithia-7,10,13,16,26,29,32,35-octazaheptacyclo[34.2.2.23,6.210,13.217,20.222,25.229,32]pentaconta-1(38),3(50),4,6(49),17(46),18,20(45),22,24,36,39,43-dodecaene-8,15,27,34-tetrone","","","","","","","","","","","","","","","","","","","","2,2,21,21-Tetraoxo-2lambda6,21lambda6-dithia-7,10,13,16,26,29,32,35-octazaheptacyclo[34.2.2.23,6.210,13.217,20.222,25.229,32]pentaconta-1(38),3(50),4,6(49),17(46),18,20(45),22,24,36,39,43-dodecaene-8,","","C1CN2CCN1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)CN5CCN(CC5)CC(=O)NC6=CC=C(C=C6)S(=O)(=O)C7=CC=C(C=C7)NC(=O)C2","BAJKVMCRMMOUKL-UHFFFAOYSA-N","235431",NA,"PDBC12052","36806","Present"
-"2,2,3,3,3-Pentachloropropyl phenyl ketone","","","","","","","","","","","","","","","","","","","","3,3,4,4,4-pentachloro-1-phenylbutan-1-one","","C1=CC=C(C=C1)C(=O)CC(C(Cl)(Cl)Cl)(Cl)Cl","FJBSUHGAHUQDTQ-UHFFFAOYSA-N","405828",NA,"PDBC12053","723515","Present"
-"2,2,3,3,4,4,5,5-Octamethylcyclopentanone O-ethyloxime","","","","","","","","","","","","","","","","","","","","2,2,3,3,4,4,5,5-Octamethylcyclopentanone O-ethyloxime","","CCON=C1C(C(C(C1(C)C)(C)C)(C)C)(C)C","VQUHKHQUXGLZPJ-UHFFFAOYSA-N","301248",NA,"PDBC12054","177764","Present"
-"2,2,3,3,5,7,9,9-Octamethyl-6-thioxo-1-thia-5,7-diazaspiro[3.5]nonan-8-one","","","","","","","","","","","","","","","","","","","","2,2,3,3,5,7,9,9-Octamethyl-6-thioxo-1-thia-5,7-diazaspiro[3.5]nonan-8-one","","CC1(C(=O)N(C(=S)N(C12C(C(S2)(C)C)(C)C)C)C)C","LKPYZJWBTVTLCQ-UHFFFAOYSA-N","366460",NA,"PDBC12055","634867","Present"
-"2,2,3,3-Tetrafluorooctahydro-1-benzothiophene-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2,2,3,3-Tetrafluorooctahydro-1-benzothiophene-4-carbonitrile","","C1CC(C2C(C1)SC(C2(F)F)(F)F)C#N","YGWLUAYAMMOYSR-UHFFFAOYSA-N","380206",NA,"PDBC12056","665680","Present"
-"2,2,3,3-Tetrafluorotetradecahydrocyclododeca[b]thiophene","","","","","","","","","","","","","","","","","","","","2,2,3,3-Tetrafluorotetradecahydrocyclododeca[b]thiophene","","C1CCCCCC2C(CCCC1)C(C(S2)(F)F)(F)F","SNQYPOWAUMTABQ-UHFFFAOYSA-N","380205",NA,"PDBC12057","665676","Present"
-"2,2,3,3-Tetramethyl-5,6-bis(6-methyl-2-pyridinyl)-2,3-dihydropyrazine","","","","","","","","","","","","","","","","","","","","2,2,3,3-Tetramethyl-5,6-bis(6-methyl-2-pyridinyl)-2,3-dihydropyrazine","","CC1=NC(=CC=C1)C2=NC(C(N=C2C3=CC=CC(=N3)C)(C)C)(C)C","LKGQJNVEMMHIJF-UHFFFAOYSA-N","373510",NA,"PDBC12058","649911","Present"
-"2,2,3,3-Tetramethyl-5,6-di(2-pyridinyl)-2,3-dihydropyrazine","","","","","","","","","","","","","","","","","","","","2,2,3,3-Tetramethyl-5,6-di(2-pyridinyl)-2,3-dihydropyrazine","","CC1(C(N=C(C(=N1)C2=CC=CC=N2)C3=CC=CC=N3)(C)C)C","GEHCXIGOXKLKSQ-UHFFFAOYSA-N","371495",NA,"PDBC12059","645790","Present"
-"2,2,3,5,5-Pentamethyl-4-(nitrosomethylene)-1-imidazolidinol","","","","","","","","","","","","","","","","","","","","2,2,3,5,5-Pentamethyl-4-(nitrosomethylene)-1-imidazolidinol","","CC1(C(=CN=O)N(C(N1O)(C)C)C)C","YUYYJXQDTGICEX-SREVYHEPSA-N","3005061",NA,"PDBC12060","669457","Present"
-"2,2,4,4,5-Pentamethyl-3-nitroso-1-oxidoimidazol-1-ium","","","","","","","","","","","","","","","","","","","","1H-Imidazole, 2,5-dihydro-2,2,4,5,5-pentamethyl-1-nitroso-, 3-oxide","","CC1=[N+](C(N(C1(C)C)N=O)(C)C)[O-]","MTRGVDONQNKDSM-UHFFFAOYSA-N","378670",NA,"PDBC12061","661467","Present"
-"2,2,4,4-Tetraethyl-1,3,5,2,4-trioxadistanninan-6-one","","","","","","","","","","","","","","","","","","","","1,3,5,2,4-Trioxadistannin-6-one, 2,2,4,4-tetraethyl-","","CC[Sn]1(OC(=O)O[Sn](O1)(CC)CC)CC","NXQGPCOTDYVKOH-UHFFFAOYSA-L","16683517",NA,"PDBC12062","356200","Present"
-"2,2,4,4-Tetramethyl-1,3-cyclobutanedione 1-hydrazone","","","","","","","","","","","","","","","","","","","","3-Hydrazinylidene-2,2,4,4-tetramethyl-cyclobutanone","","CC1(C(=NN)C(C1=O)(C)C)C","DJASPJOKYWJWHM-UHFFFAOYSA-N","369736",NA,"PDBC12063","641831","Present"
-"2,2,4,4-Tetramethyl-1,3-cyclobutanedione bis(tert-butylhydrazone)","","","","","","","","","","","","","","","","","","","","N-[[3-(Tert-butylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]-2-methylpropan-2-amine","","CC1(C(=NNC(C)(C)C)C(C1=NNC(C)(C)C)(C)C)C","SIRJLDOWEOIBQC-UHFFFAOYSA-N","369729",NA,"PDBC12064","641824","Present"
-"2,2,4,4-Tetramethyl-1alpha,3alpha-dichloro-1,3-bis(acetyldithio)cyclobutane","","","","","","","","","","","","","","","","","","","","S-[3-(Acetyldisulfanyl)-1,3-dichloro-2,2,4,4-tetramethylcyclobutyl]sulfanyl ethanethioate","","CC(=O)SSC1(C(C(C1(C)C)(SSC(=O)C)Cl)(C)C)Cl","JHUZEBDVAAMKGA-UHFFFAOYSA-N","402835",NA,"PDBC12065","717088","Present"
-"2,2,4,4-Tetramethyl-3-thioxocyclobutanone","","","","","","","","","","","","","","","","","","","","SVRXPTCPQFXZSF-UHFFFAOYSA-N","","CC1(C(=O)C(C1=S)(C)C)C","SVRXPTCPQFXZSF-UHFFFAOYSA-N","373949",NA,"PDBC12066","650981","Present"
-"2,2,4,5,5-Pentamethyl-1-imidazolidinol 3-oxide","","","","","","","","","","","","","","","","","","","","STK525169","","CC1=[N+](C(N(C1(C)C)O)(C)C)[O-]","ANKGMEQLPXFSPL-UHFFFAOYSA-N","379371",NA,"PDBC12067","663915","Present"
-"2,2,4,8-Tetramethyl-7-phenyl-9H-[1,3]oxathiolo[4,5-f]chromen-9-one","","","","","","","","","","","","","","","","","","","","2,2,4,8-Tetramethyl-7-phenyl-9H-[1,3]oxathiolo[4,5-f]chromen-9-one","","CC1=CC2=C(C3=C1OC(S3)(C)C)C(=O)C(=C(O2)C4=CC=CC=C4)C","FROPCGUFZGGZAV-UHFFFAOYSA-N","372610",NA,"PDBC12068","647971","Present"
-"2,2,4,8-Tetramethyl-9H-[1,3]oxathiolo[4,5-f]chromen-9-one","","","","","","","","","","","","","","","","","","","","2,2,4,8-Tetramethyl-9H-[1,3]oxathiolo[4,5-f]chromen-9-one","","CC1=CC2=C(C3=C1OC(S3)(C)C)C(=O)C(=CO2)C","FKQVTENSZITDMN-UHFFFAOYSA-N","372609",NA,"PDBC12069","647970","Present"
-"2,2,4,8-Tetramethyltricyclo[5.3.1.04,11]undecan-11-ol","","","","","","","","","","","","","","","","","","","","2,2,4,8-Tetramethyltricyclo[5.3.1.04,11]undecan-11-ol","","CC1CCC2C(CC3(C2(C1CC3)O)C)(C)C","ZCRYDCBITZERMT-UHFFFAOYSA-N","390632",NA,"PDBC12070","688234","Present"
-"2,2,4-Trimethyl-2,3-dihydronaphtho[1,2-b]furan-5-yl acetate","","","","","","","","","","","","","","","","","","","","2,2,4-Trimethyl-2,3-dihydronaphtho[1,2-b]furan-5-yl acetate","","CC1=C(C2=CC=CC=C2C3=C1CC(O3)(C)C)OC(=O)C","CPIWBFHLFXRTNX-UHFFFAOYSA-N","391198",NA,"PDBC12071","690031","Present"
-"2,2,4-Trimethyl-2H-imidazole 1-oxide","","","","","","","","","","","","","","","","","","","","TMIO","","CC1=NC([N+](=C1)[O-])(C)C","CNIGTNPXWSLRPH-UHFFFAOYSA-N","379378",NA,"PDBC12072","663921","Present"
-"2,2,5,5-Tetramethyl-1,3-dioxane-4,6-dione","","","","","","","","","","","","","","","","","","","","YIAOLYVBBMEBIJ-UHFFFAOYSA-N","","CC1(C(=O)OC(OC1=O)(C)C)C","YIAOLYVBBMEBIJ-UHFFFAOYSA-N","380817",NA,"PDBC12073","666539","Present"
-"2,2,5,5-Tetramethyl-1-imidazolidinol 3-oxide","","","","","","","","","","","","","","","","","","","","HTIO","","CC1(C=[N+](C(N1O)(C)C)[O-])C","KOMUEOBUFGLNFJ-UHFFFAOYSA-N","378668",NA,"PDBC12074","661465","Present"
-"2,2,5,5-Tetramethyl-3-oxido-1H-imidazol-3-ium","","","","","","","","","","","","","","","","","","","","2,2,5,5-Tetramethyl-3-oxido-1H-imidazol-3-ium","","CC1(C=[N+](C(N1)(C)C)[O-])C","ATMSOHQKXPFPAT-UHFFFAOYSA-N","379393",NA,"PDBC12075","663935","Present"
-"2,2,5,5-Tetramethyl-4-phenyl-1-imidazolidinol 3-oxide","","","","","","","","","","","","","","","","","","","","ACM18796015","","CC1(C(=[N+](C(N1O)(C)C)[O-])C2=CC=CC=C2)C","MLSJXLQAJPYPSI-UHFFFAOYSA-N","378672",NA,"PDBC12076","661469","Present"
-"2,2,5-Trimethyl-3-phenyl-1,3-oxaphosphinane 3-oxide","","","","","","","","","","","","","","","","","","","","2,2,5-Trimethyl-3-phenyl-1,3-oxaphosphinane 3-oxide","","CC1COC(P(=O)(C1)C2=CC=CC=C2)(C)C","HTKHJPFJIDGHCJ-UHFFFAOYSA-N","357434",NA,"PDBC12077","616262","Present"
-"2,2,6,6-Tetramethyl-4-(phenylethynyl)-1-piperidinol","","","","","","","","","","","","","","","","","","","","2,2,6,6-Tetramethyl-4-(phenylethynyl)-1-piperidinol","","CC1(CC(CC(N1O)(C)C)C#CC2=CC=CC=C2)C","LQOQNTKCACWVLS-UHFFFAOYSA-N","379388",NA,"PDBC12078","663930","Present"
-"2,2,6,6-Tetramethyl-4-phenacyl-heptane-3,5-dione","","","","","","","","","","","","","","","","","","","","2,2,6,6-Tetramethyl-4-phenacyl-heptane-3,5-dione","","CC(C)(C)C(=O)C(CC(=O)C1=CC=CC=C1)C(=O)C(C)(C)C","UIJYONIGDNWEAR-UHFFFAOYSA-N","389077",NA,"PDBC12079","684727","Present"
-"2,2,6,6-Tetramethyl-4-pivaloylheptane-3,5-dione","","","","","","","","","","","","","","","","","","","","4-(2,2-Dimethylpropanoyl)-2,2,6,6-tetramethylheptane-3,5-dione","","CC(C)(C)C(=O)C(C(=O)C(C)(C)C)C(=O)C(C)(C)C","CWIKLPBOWSPAMT-UHFFFAOYSA-N","389082",NA,"PDBC12080","684732","Present"
-"2,2,7,7,12,12,17,17-Octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),8,10,18-tetraene-3,6,13,16-tetrone","","","","","","","","","","","","","","","","","","","","2,2,7,7,12,12,17,17-OCTAMETHYL-21,22-DIOXATRICYCLO[16.2.1.1(8,11)]DOCOSA-1(20),8,10,18-TETRAENE-3,6,13,16-TETRONE","","CC1(C(=O)CCC(=O)C(C2=CC=C(O2)C(C(=O)CCC(=O)C(C3=CC=C1O3)(C)C)(C)C)(C)C)C","UAUOFHMTNHCGSU-UHFFFAOYSA-N","361837",NA,"PDBC12081","625153","Present"
-"2,2,7,7,12,12,17,17-Octamethyl-21,22-dioxatricyclo[16.2.1.1~8,11~]docosa-1(20),4,8,10,14,18-hexaene-3,6,13,16-tetrone","","","","","","","","","","","","","","","","","","","","(4Z,14Z)-2,2,7,7,12,12,17,17-Octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),4,8,10,14,18-hexaene-3,6,13,16-tetrone","","CC1(C(=O)C=CC(=O)C(C2=CC=C(O2)C(C(=O)C=CC(=O)C(C3=CC=C1O3)(C)C)(C)C)(C)C)C","JYZBPHTYRCOHCJ-BASFJDSNSA-N","5387610",NA,"PDBC12082","625152","Present"
-"2,2,7,7,12,12,17,17-Octamethyl-21-oxabicyclo[16.2.1]henicosa-1(20),4,9,14,18-pentaene-3,6,8,11,13,16-hexone","","","","","","","","","","","","","","","","","","","","21-Oxabicyclo[16.2.1]heneicosane-4,9,14,18,20-pentaene, ...","","CC1(C(=O)C=CC(=O)C(C(=O)C=CC(=O)C(C2=CC=C(O2)C(C(=O)C=CC1=O)(C)C)(C)C)(C)C)C","OAVCWCVIFBSXIA-OXJRGYCCSA-N","5387611",NA,"PDBC12083","625154","Present"
-"2,2,8,8-Tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-ol","","","","","","","","","","","","","","","","","","","","2,2,8,8-Tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-ol","","CC1(CCC2=C(C3=C(C=C2O1)OC(CC3)(C)C)O)C","VTSPQZOQWQRPGZ-UHFFFAOYSA-N","353205",NA,"PDBC12084","600757","Present"
-"2,2,8,8-Tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one","","","","","","","","","","","","","","","","","","","","2,2,8,8-Tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one","","CC1(CCC2=CC3=C(C=C2O1)OC(CC3=O)(C)C)C","ULAUJTKIJCQRNQ-UHFFFAOYSA-N","361271",NA,"PDBC12085","624213","Present"
-"2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-1-N,1-N'-di(propan-2-yl)ethene-1,1-diamine","","","","","","","","","","","","","","","","","","","","2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-1-N,1-N'-di(propan-2-yl)ethene-1,1-diamine","","CC(C)NC(=C(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)NC(C)C","ZOIAWJJYYAVIQA-UHFFFAOYSA-N","384397",NA,"PDBC12086","674121","Present"
-"2,2-Bis(1H-indol-3-yl)ethylcarbamic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","2,2-Bis(1H-indol-3-yl)ethylcarbamic acid tert-butyl ester","","CC(C)(C)OC(=O)NCC(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43","RFAPSNMBPZRKCX-UHFFFAOYSA-N","402818",NA,"PDBC12087","717069","Present"
-"2,2-Bis(2,3-dihydro-1H-inden-5-ylmethyl)malonic acid","","","","","","","","","","","","","","","","","","","","2,2-Bis(2,3-dihydro-1H-inden-5-ylmethyl)malonic acid","","C1CC2=C(C1)C=C(C=C2)CC(CC3=CC4=C(CCC4)C=C3)(C(=O)O)C(=O)O","CTDGBRNHJQUFAI-UHFFFAOYSA-N","384704",NA,"PDBC12088","674940","Present"
-"2,2-Bis(4-(4-amino-3-hydroxyphenoxy)phenyl)adamantane","","","","","","","","","","","","","","","","","","","","2,2-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane","","C1C2CC3CC1CC(C2)C3(C4=CC=C(C=C4)OC5=CC(=C(C=C5)N)O)C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O","DPMXTDKQWKXVSU-UHFFFAOYSA-N","397907",NA,"PDBC12089","706832","Present"
-"2,2-Bis(5-Oxospiro[1H,4H-1,2,4-triazine-6,9'-fluorene]-3-ylthio)acetic acid","","","","","","","","","","","","","","","","","","","","2,2-bis(5-Oxospiro[1H,4H-1,2,4-triazine-6,9'-fluorene]-3-ylthio)acetic acid","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)SC(C(=O)O)SC5=NNC6(C7=CC=CC=C7C8=CC=CC=C86)C(=O)N5","JIUUFYISWANEQK-UHFFFAOYSA-N","135409129",NA,"PDBC12090","658726","Present"
-"2,2-Bis(5-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","2,2-Bis(5-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester","","CC(C)(C)OC(=O)NCC(C1=CNC2=C1C=C(C=C2)Br)C3=CNC4=C3C=C(C=C4)Br","CBUQBOMWRHXMKY-UHFFFAOYSA-N","398033",NA,"PDBC12091","707106","Present"
-"2,2-Bis(5-hydroxy-3-iminoimidazo[2,1-c][1,2,4]triazol-6-yl)-3H-inden-1-one","","","","","","","","","","","","","","","","","","","","2,2-Bis(5-hydroxy-3-iminoimidazo[2,1-c][1,2,4]triazol-6-yl)-3H-inden-1-one","","C1C2=CC=CC=C2C(=O)C1(C3=C(N4C(=N)N=NC4=N3)O)C5=C(N6C(=N)N=NC6=N5)O","CRBOZMVVDSFMRP-UHFFFAOYSA-N","135441703",NA,"PDBC12092","382936","Present"
-"2,2-Bis(6-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","2,2-Bis(6-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester","","CC(C)(C)OC(=O)NCC(C1=CNC2=C1C=CC(=C2)Br)C3=CNC4=C3C=CC(=C4)Br","RYPOXILSLZDDGQ-UHFFFAOYSA-N","401205",NA,"PDBC12093","714409","Present"
-"2,2-Bis(but-3-enyl)propanedioic acid","","","","","","","","","","","","","","","","","","","","Bis-(but-3-enyl)malonic acid","","C=CCCC(CCC=C)(C(=O)O)C(=O)O","OSKMJOAZCPSTCT-UHFFFAOYSA-N","373309",NA,"PDBC12094","649455","Present"
-"2,2-Bis(diisopropoxyphosphoryl)ethyl-chloro-dimethyl-stannane","","","","","","","","","","","","","","","","","","","","2,2-Bis(diisopropoxyphosphoryl)ethyl-chloro-dimethyl-stannane","","CC(C)OP(=O)(C(C[Sn](C)(C)Cl)P(=O)(OC(C)C)OC(C)C)OC(C)C","ZXNORKXIVGWHMF-UHFFFAOYSA-M","372049",NA,"PDBC12095","646864","Present"
-"2,2-Bis(trifluoromethyl)-4-tetrahydrofuranone oxime","","","","","","","","","","","","","","","","","","","","LS-70405","","C1C(=NO)COC1(C(F)(F)F)C(F)(F)F","HTRRXCXXRORWGE-QLKAYGNNSA-N","5870156",NA,"PDBC12096","664958","Present"
-"2,2-Bis(trifluoromethyl)tetrachloro-1,3-dioxolane","","","","","","","","","","","","","","","","","","","","DIOXOLANE416","","C1(C(OC(O1)(C(F)(F)F)C(F)(F)F)(Cl)Cl)(Cl)Cl","RSNKMTZZWVFGES-UHFFFAOYSA-N","377633",NA,"PDBC12097","659212","Present"
-"2,2-Bis-(4-cyanatophenyl)propane","","","","","","","","","","","","","","","","","","","","AK327654","","CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N","AHZMUXQJTGRNHT-UHFFFAOYSA-N","70872",NA,"PDBC12098","646242","Present"
-"2,2-Bis[4-(4-aminophenoxy)phenyl]adamantane","","","","","","","","","","","","","","","","","","","","2,2-bis[4-(4-aminophenoxy)phenyl]adamantane","","C1C2CC3CC1CC(C2)C3(C4=CC=C(C=C4)OC5=CC=C(C=C5)N)C6=CC=C(C=C6)OC7=CC=C(C=C7)N","OYVBSGFRWFEXHT-UHFFFAOYSA-N","399966",NA,"PDBC12099","711118","Present"
-"2,2-Dibenzyl-5,5-dimethyl-1,3-cyclohexanedione","","","","","","","","","","","","","","","","","","","","AG-205/01784004","","CC1(CC(=O)C(C(=O)C1)(CC2=CC=CC=C2)CC3=CC=CC=C3)C","DVWZHXSDVGYQCA-UHFFFAOYSA-N","380815",NA,"PDBC12100","666536","Present"
-"2,2-Dibenzyl-6-methyl-1,3,6,2-dioxazastannocane-4,8-dione","","","","","","","","","","","","","","","","","","","","2,2-Dibenzyl-6-methyl-1,3,6,2-dioxazastannocane-4,8-dione","","","","",NA,"PDBC12101","628571","Present"
-"2,2-Dibromo-1-(2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-yl)ethanone","","","","","","","","","","","","","","","","","","","","Ethanone, 2,2-dibromo-1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-","","C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)C(Br)Br)C=C2C1","SWJKAABEPDFUPN-UHFFFAOYSA-N","384711",NA,"PDBC12102","674947","Present"
-"2,2-Dibromo-3,4-dihydronaphthalen-1(2H)-one","","","","","","","","","","","","","","","","","","","","1(2H)-Naphthalenone, 2,2-dibromo-3,4-dihydro-","","C1CC(C(=O)C2=CC=CC=C21)(Br)Br","XJUWICWPKZOCJP-UHFFFAOYSA-N","345009",NA,"PDBC12103","402209","Present"
-"2,2-Dibromocyclopent-4-ene-1,3-dione","","","","","","","","","","","","","","","","","","","","2,2-Dibromocyclopent-4-ene-1,3-dione","","C1=CC(=O)C(C1=O)(Br)Br","KLJUSYWXYFXFLM-UHFFFAOYSA-N","345535",NA,"PDBC12104","403212","Present"
-"2,2-Dibutyl-1,3,4,2-benzodioxazastannepine","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-1,3,4,2-benzodioxazastannepine","","CCCC[Sn]1(OC2=CC=CC=C2C=NO1)CCCC","HYDNNXIUXSPNHY-UHFFFAOYSA-L","16683165",NA,"PDBC12105","633498","Present"
-"2,2-Dibutyl-3-(p-tolylsulfonyl)-1,3,2-thiazastannolidine","","","","","","","","","","","","","","","","","","","","1,3,2-Thiazastannolidine, 2,2-dibutyl-3-[(4-methylphenyl...","","CCCC[Sn]1(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C)CCCC","AYROPZMDMVUBTL-UHFFFAOYSA-M","9562720",NA,"PDBC12106","183359","Present"
-"2,2-Dibutyl-4-((2,4,6-trichlorophenoxy)methyl)-1,3,2-dioxastannolane","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-4-((2,4,6-trichlorophenoxy)methyl)-1,3,2-dioxastannolane","","CCCC[Sn]1(OCC(O1)COC2=C(C=C(C=C2Cl)Cl)Cl)CCCC","JRPGLHOGWXXNRS-UHFFFAOYSA-N","16683182",NA,"PDBC12107","636803","Present"
-"2,2-Dibutyl-4-methyl-1,3,2-dioxastannolane","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-4-methyl-1,3,2-dioxastannolane","","CCCC[Sn]1(OCC(O1)C)CCCC","PSGQJORUIXABPI-UHFFFAOYSA-N","16683570",NA,"PDBC12108","633508","Present"
-"2,2-Dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine","","CCCC[Sn]1(OC(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3)CCCC","YWAUFBMPZSGXNF-UHFFFAOYSA-M","16683569",NA,"PDBC12109","633500","Present"
-"2,2-Dibutyl-5-(2-pyridyl)-1,3,4,2-dioxathiastannolane 4,4-dioxide","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-5-(2-pyridyl)-1,3,4,2-dioxathiastannolane 4,4-dioxide","","CCCC[Sn]1(OC(S(=O)(=O)O1)C2=CC=CC=N2)CCCC","IQIDREHHBOIYBU-UHFFFAOYSA-M","16683167",NA,"PDBC12110","633501","Present"
-"2,2-Dibutyl-5-propan-2-yl-5H-1,3,6,2-benzodioxazastannonin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-5-propan-2-yl-5H-1,3,6,2-benzodioxazastannonin-4-one","","CCCC[Sn]1(OC2=CC=CC=C2C=NC(C(=O)O1)C(C)C)CCCC","ZGTVWQPMRYBRFR-UHFFFAOYSA-L","16683554",NA,"PDBC12111","630251","Present"
-"2,2-Dibutyl-5H-1,3,6,2-benzodioxazastannonin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-5H-1,3,6,2-benzodioxazastannonin-4-one","","CCCC[Sn]1(OC(=O)CN=CC2=CC=CC=C2O1)CCCC","PXOOSSYRHFOALV-UHFFFAOYSA-L","16683555",NA,"PDBC12112","630252","Present"
-"2,2-Dibutyl-6,8-diiodo-1,3,2-benzodioxastannin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-6,8-diiodo-1,3,2-benzodioxastannin-4-one","","CCCC[Sn]1(OC2=C(C=C(C=C2I)I)C(=O)O1)CCCC","SEMYGSGDQLBXEG-UHFFFAOYSA-L","16683128",NA,"PDBC12113","628563","Present"
-"2,2-Dibutyl-6-methyl-1,3,2-benzodioxastannin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-6-methyl-1,3,2-benzodioxastannin-4-one","","CCCC[Sn]1(OC2=C(C=C(C=C2)C)C(=O)O1)CCCC","VETAQHGIJKJLOZ-UHFFFAOYSA-L","16683171",NA,"PDBC12114","633505","Present"
-"2,2-Dibutyl-6-methyl-4H-[1,3,2]dioxastannino[5,4-b]pyridine","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-6-methyl-4H-[1,3,2]dioxastannino[5,4-b]pyridine","","CCCC[Sn]1(OCC2=C(O1)C=CC(=N2)C)CCCC","PKONRJBNSRZWNS-UHFFFAOYSA-M","16683164",NA,"PDBC12115","633497","Present"
-"2,2-Dibutyl-7-methyl-1,3,2-benzodioxastannin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-7-methyl-1,3,2-benzodioxastannin-4-one","","CCCC[Sn]1(OC2=C(C=CC(=C2)C)C(=O)O1)CCCC","UFQHVVQJRXWVSU-UHFFFAOYSA-L","16683125",NA,"PDBC12116","628560","Present"
-"2,2-Dibutyl-7-methyl-5H-1,3,6,2-benzodioxazastannonin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-7-methyl-5H-1,3,6,2-benzodioxazastannonin-4-one","","CCCC[Sn]1(OC(=O)CN=C(C2=CC=CC=C2O1)C)CCCC","ACBFDHMLROJCJI-UHFFFAOYSA-L","16683556",NA,"PDBC12117","630253","Present"
-"2,2-Dibutyl-8-methoxy-1,3,2-benzodioxastannin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-8-methoxy-1,3,2-benzodioxastannin-4-one","","CCCC[Sn]1(OC2=C(C=CC=C2OC)C(=O)O1)CCCC","XCMZNKMJIGQMJI-UHFFFAOYSA-L","16683129",NA,"PDBC12118","628564","Present"
-"2,2-Dibutyl-8-methyl-1,3,2-benzodioxastannin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-8-methyl-1,3,2-benzodioxastannin-4-one","","CCCC[Sn]1(OC2=C(C=CC=C2C(=O)O1)C)CCCC","UEGGYQQFNKOFFC-UHFFFAOYSA-L","16683124",NA,"PDBC12119","628559","Present"
-"2,2-Dibutyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one","","CCCC[Sn]1(OC2=C(C=CC=N2)C(=O)O1)CCCC","FQVZYUVDLURQDA-UHFFFAOYSA-L","16683162",NA,"PDBC12120","633495","Present"
-"2,2-Dibutyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dibutyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one","","CCCC[Sn]1(OC(=O)C2=C(S1)N=CC=C2)CCCC","FVTUEYBZUJNBQU-UHFFFAOYSA-L","16683168",NA,"PDBC12121","633502","Present"
-"2,2-Dichloro-1-methylbicyclo[2.2.1]heptane","","","","","","","","","","","","","","","","","","","","2,2-Dichloro-1-methylbicyclo[2.2.1]heptane","","CC12CCC(C1)CC2(Cl)Cl","KEBQSKUALBYPQJ-UHFFFAOYSA-N","382541",NA,"PDBC12122","670150","Present"
-"2,2-Dichloro-2-(diethylphosphoryl)-N-methylacetamide","","","","","","","","","","","","","","","","","","","","2,2-Dichloro-2-(diethylphosphoryl)-N-methylacetamide","","CCP(=O)(CC)C(C(=O)NC)(Cl)Cl","SLTNYHMFQSVAFW-UHFFFAOYSA-N","383112",NA,"PDBC12123","671156","Present"
-"2,2-Dichloro-3-hexylcyclobutanone","","","","","","","","","","","","","","","","","","","","2,2-Dichloro-3-hexylcyclobutanone","","CCCCCCC1CC(=O)C1(Cl)Cl","REPMSXFRZYPQTI-UHFFFAOYSA-N","380807",NA,"PDBC12124","666526","Present"
-"2,2-Dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2,2-dichloro-~{N}-(2,2-dichloroacetyl)-~{N}-[2,6-dimetho...","","CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)N(C(=O)C(Cl)Cl)C(=O)C(Cl)Cl)OC","DASCYEOOVZMXDS-UHFFFAOYSA-N","155815172",NA,"PDBC12125","797557","Present"
-"2,2-Dichloro-N-[6-[(2,2-dichloroacetyl)amino]-7-methoxy-9H-fluoren-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","2,2-Dichloro-N-[6-[(2,2-dichloroacetyl)amino]-7-methoxy-9H-fluoren-2-yl]acetamide","","COC1=C(C=C2C(=C1)CC3=C2C=CC(=C3)NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl","KZWCRASEVNKSPS-UHFFFAOYSA-N","276258",NA,"PDBC12126","123829","Present"
-"2,2-Dichlorocyclopropyl 4-methylphenyl sulfone","","","","","","","","","","","","","","","","","","","","2,2-Dichlorocyclopropyl 4-methylphenyl sulfone","","CC1=CC=C(C=C1)S(=O)(=O)C2CC2(Cl)Cl","XGMYQAUNQSQQER-UHFFFAOYSA-N","361162",NA,"PDBC12127","623993","Present"
-"2,2-Dicyanoethenylthiourea","","","","","","","","","","","","","","","","","","","","2,2-Dicyanovinylthiourea","","C(=C(C#N)C#N)NC(=S)N","QPHHZCXEHPQYCJ-UHFFFAOYSA-N","3004581",NA,"PDBC12128","658498","Present"
-"2,2-Diethyl-6-(hydroxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxastannolo[4,5-c]pyran-4,7-diol","","","","","","","","","","","","","","","","","","","",".beta.-D-Glucopyranose, 2,3-O-(diethylstannylene)-","","CC[Sn]1(OC2C(C(OC(C2O1)O)CO)O)CC","PKGOFPIELJQXTG-UHFFFAOYSA-N","16683462",NA,"PDBC12129","306911","Present"
-"2,2-Difluoro-1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol","","","","","","","","","","","","","","","","","","","","2,2-Difluoro-1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol","","C1=CC=C(C=C1)C2=NOC(=N2)C(C(C3=CC=C(C=C3)F)O)(F)F","URAMRIDZFBSLEW-UHFFFAOYSA-N","399835",NA,"PDBC12130","710971","Present"
-"2,2-Diiodo-5-nitro-1,3,2-benzodioxastannole","","","","","","","","","","","","","","","","","","","","2,2-Diiodo-5-nitro-1,3,2-benzodioxastannole","","C1=CC2=C(C=C1[N+](=O)[O-])O[Sn](O2)(I)I","IDACIYXDBORBPF-UHFFFAOYSA-J","16683572",NA,"PDBC12131","634376","Present"
-"2,2-Dimethoxy-5-methyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane","","","","","","","","","","","","","","","","","","","","2,2-Dimethoxy-5-methyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane","","CC12CCC(C(O1)C(O2)C3=CC=CC=C3)(OC)OC","IWPNHSXUSSCPPK-UHFFFAOYSA-N","361141",NA,"PDBC12132","623973","Present"
-"2,2-Dimethyl-1,3,6,6-tetraphenyl-7-oxa-2-silabicyclo[3.2.0]hept-3-ene","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-1,3,6,6-tetraphenyl-7-oxa-2-silabicyclo[3.2.0]hept-3-ene","","C[Si]1(C(=CC2C1(OC2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C","CMDYZCRNWVKAHM-UHFFFAOYSA-N","373380",NA,"PDBC12133","649607","Present"
-"2,2-Dimethyl-1,3-benzodioxol-4-yl 2,4-bis(methoxymethoxy)benzoate","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-1,3-benzodioxol-4-yl 2,4-bis(methoxymethoxy)benzoate","","CC1(OC2=C(O1)C(=CC=C2)OC(=O)C3=C(C=C(C=C3)OCOC)OCOC)C","WRSDQBKUZWQEGS-UHFFFAOYSA-N","395507",NA,"PDBC12134","700149","Present"
-"2,2-Dimethyl-1,3-dioxole-4,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-1,3-dioxole-4,5-dicarboxamide","","CC1(OC(=C(O1)C(=O)N)C(=O)N)C","NAEUNPIFXPXWTR-UHFFFAOYSA-N","357619",NA,"PDBC12135","617143","Present"
-"2,2-Dimethyl-1,3-propanediamine","","","","","","","","","","","","","","","","","","","","Neopentyldiamine","","CC(C)(CN)CN","DDHUNHGZUHZNKB-UHFFFAOYSA-N","81770",NA,"PDBC12136","17719","Present"
-"2,2-Dimethyl-1,6,16,20-tetrazatetracyclo[17.2.1.05,13.07,12]docosa-5(13),7,9,11,19(22),20-hexaene-4,15-dione","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-1,6,16,20-tetrazatetracyclo[17.2.1.05,13.07,12]docosa-5(13),7,9,11,19(22),20-hexaene-4,15-dione","","CC1(CC(=O)C2=C(CC(=O)NCCC3=CN1C=N3)C4=CC=CC=C4N2)C","XEFQBZIYRWKUKV-UHFFFAOYSA-N","398077",NA,"PDBC12137","707442","Present"
-"2,2-Dimethyl-1-[3-(p-tolyl)-1-(p-tolylsulfonyl)aziridin-2-yl]propan-1-one","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-1-[3-(p-tolyl)-1-(p-tolylsulfonyl)aziridin-2-yl]propan-1-one","","CC1=CC=C(C=C1)C2C(N2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C(C)(C)C","KWYXQHAUBJOQFR-UHFFFAOYSA-N","389292",NA,"PDBC12138","685111","Present"
-"2,2-Dimethyl-1-oxido-4,5-diphenyl-3-tetrahydropyran-2-yloxy-4h-imidazol-1-ium","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-1-oxido-4,5-diphenyl-3-tetrahydropyran-2-yloxy-4h-imidazol-1-ium","","CC1(N(C(C(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)OC4CCCCO4)C","GAMOJAJDLUVODK-UHFFFAOYSA-N","390088",NA,"PDBC12139","687031","Present"
-"2,2-Dimethyl-10-[(4-methylphenyl)diazenyl]-3,4-dihydrobenzo[g]chromen-5-ol","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-10-[(4-methylphenyl)diazenyl]-3,4-dihydrobenzo[g]chromen-5-ol","","CC1=CC=C(C=C1)N=NC2=C3C(=C(C4=CC=CC=C42)O)CCC(O3)(C)C","MPGRAOPZJVAKRQ-UHFFFAOYSA-N","402607",NA,"PDBC12140","716763","Present"
-"2,2-Dimethyl-10-phenyldiazenyl-3,4-dihydrobenzo[g]chromen-5-ol","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-10-phenyldiazenyl-3,4-dihydrobenzo[g]chromen-5-ol","","CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=CC=C4)O)C","DLVWEPJOZMKUAT-UHFFFAOYSA-N","401077",NA,"PDBC12141","713843","Present"
-"2,2-Dimethyl-2,7-dihydro-1H-purine-6-carboxamide","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-2,7-dihydro-1H-purine-6-carboxamide","","CC1(NC2=C(C(=N1)C(=O)N)NC=N2)C","ZNDOPFMMQQGEAN-UHFFFAOYSA-N","135409222",NA,"PDBC12142","670254","Present"
-"2,2-Dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one","","CC1(CCC2=CC3=C(C=C2O1)OCCC3=O)C","YHTXRJPPNNSHHS-UHFFFAOYSA-N","362035",NA,"PDBC12143","625534","Present"
-"2,2-Dimethyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopentanone","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopentanone","","CC(=CCCC(=CCCC(=CC1CCC(=O)C1(C)C)C)C)C","KVSORZUJEYCZRK-OVHYJKADSA-N","5466979",NA,"PDBC12144","646185","Present"
-"2,2-Dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]thiirane","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]thiirane","","CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC1C(S1)(C)C)C)C)C","PDOASHNSOVFHGI-BANQPHDMSA-N","5467353",NA,"PDBC12145","651005","Present"
-"2,2-Dimethyl-3-phenyl-2H-1,4-benzoxazine 4-oxide","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-3-phenyl-2H-1,4-benzoxazine 4-oxide","","CC1(C(=[N+](C2=CC=CC=C2O1)[O-])C3=CC=CC=C3)C","XGKKIYMSNBLCME-UHFFFAOYSA-N","367134",NA,"PDBC12146","636521","Present"
-"2,2-Dimethyl-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane","","CC1(CC2(C(CN1O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C","WNKIKVQPEYSMBN-UHFFFAOYSA-N","361142",NA,"PDBC12147","623974","Present"
-"2,2-Dimethyl-4,7-dihydro-1,3-dioxepine","","","","","","","","","","","","","","","","","","","","A1-02673","","CC1(OCC=CCO1)C","ATZGUXPLGMKHOR-UHFFFAOYSA-N","392707",NA,"PDBC12148","693424","Present"
-"2,2-Dimethyl-4-[(2,4,5-trichlorophenoxy)methyl]-1,3,2-dioxastannolane","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-4-[(2,4,5-trichlorophenoxy)methyl]-1,3,2-dioxastannolane","","C[Sn]1(OCC(O1)COC2=CC(=C(C=C2Cl)Cl)Cl)C","XXRGSMBVCVICLR-UHFFFAOYSA-N","16683183",NA,"PDBC12149","636808","Present"
-"2,2-Dimethyl-5-((2,4,5-trimethoxy-3-methylanilino)methylene)-1,3-dioxane-4,6-dione","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-5-((2,4,5-trimethoxy-3-methylanilino)methylene)-1,3-dioxane-4,6-dione","","CC1=C(C(=CC(=C1OC)OC)NC=C2C(=O)OC(OC2=O)(C)C)OC","XEJYFBSURMXZJO-UHFFFAOYSA-N","389065",NA,"PDBC12150","684704","Present"
-"2,2-Dimethyl-5-((methylamino)(methylthio)methylene)-1,3-dioxane-4,6-dione","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-5-((methylamino)(methylthio)methylene)-1,3-dioxane-4,6-dione","","CC1(OC(=O)C(=C(NC)SC)C(=O)O1)C","DQRSPADAUYRQAI-UHFFFAOYSA-N","370575",NA,"PDBC12151","643820","Present"
-"2,2-Dimethyl-5-(3-phenyl-2,3-dihydro-1H-inden-1-ylidene)-1,3-dioxane-4,6-dione","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-5-(3-phenyl-2,3-dihydro-1H-inden-1-ylidene)-1,3-dioxane-4,6-dione","","CC1(OC(=O)C(=C2CC(C3=CC=CC=C23)C4=CC=CC=C4)C(=O)O1)C","XVEWMARHNVYCTF-UHFFFAOYSA-N","362474",NA,"PDBC12152","626425","Present"
-"2,2-Dimethyl-5-(phenylthio)tetrahydrofuran","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-5-(phenylthio)tetrahydrofuran","","CC1(CCC(O1)SC2=CC=CC=C2)C","IHEUXZPCYQKELP-UHFFFAOYSA-N","361780",NA,"PDBC12153","625047","Present"
-"2,2-Dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(5-nitro-2-thieny...","","CC1(OC(=O)C(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)O1)C","CISOKWVGMLHGBN-UHFFFAOYSA-N","326210",NA,"PDBC12154","297093","Present"
-"2,2-Dimethyl-5-chlorospiro[benzofuran-3(2H),1'-cyclopropane]","","","","","","","","","","","","","","","","","","","","5-Chloro-2,2-dimethylspiro[1-benzofuran-3,1'-cyclopropane]","","CC1(C2(CC2)C3=C(O1)C=CC(=C3)Cl)C","LSLMRJKLWHQQKV-UHFFFAOYSA-N","400113",NA,"PDBC12155","711603","Present"
-"2,2-Dimethyl-5-propan-2-yl-1,3-dihydrophenothiazin-4-one","","","","","","","","","","","","","","","","","","","","5-Isopropyl-2,2-dimethyl-1,3-dihydrophenothiazin-5-ium-4-olate","","CC(C)S1=C2C(=NC3=CC=CC=C31)CC(CC2=O)(C)C","NNRRMZMANYTSOP-UHFFFAOYSA-N","390750",NA,"PDBC12156","688508","Present"
-"2,2-Dimethyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one","","","","","","","","","","","","","","","","","","","","(-)-5-O-Benzyl-2,3-O-isopropylidene-D-ribono- 1,4-lactone","","CC1(OC2C(OC(=O)C2O1)COCC3=CC=CC=C3)C","HTBWOOVHGLNZBX-UHFFFAOYSA-N","355375",NA,"PDBC12157","639628","Present"
-"2,2-Dimethyl-6-oxo-1,3-dioxin-4-olate;titanium(4+);4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzene-1,3-diolate","","","","","","","","","","","","","","","","","","","","Bis(2,2-dimethyl-1,3-dioxane-4,6-dionato)[flavone- 3,5,7...","","CC1(OC(=CC(=O)O1)[O-])C.CC1(OC(=CC(=O)O1)[O-])C.C1=CC(=C(C=C1[O-])[O-])C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.[Ti+4]","DXOMLCFJVCPPKK-UHFFFAOYSA-J","5388822",NA,"PDBC12158","638846","Present"
-"2,2-Dimethyl-6-oxo-1H-furo[2,3-c]xanthene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-6-oxo-1H-furo[2,3-c]xanthene-1-carboxylic acid","","CC1(C(C2=C(O1)C=CC3=C2OC4=CC=CC=C4C3=O)C(=O)O)C","HQYDQOMEZQRCOO-UHFFFAOYSA-N","388149",NA,"PDBC12159","682713","Present"
-"2,2-Dimethyl-6-triisopropylsilanyloxymethyl-[1,3]dioxane-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-6-triisopropylsilanyloxymethyl-[1,3]dioxane-4-carbonitrile","","CC(C)[Si](C(C)C)(C(C)C)OCC1CC(OC(O1)(C)C)C#N","ILCHUJVTDAOPLH-UHFFFAOYSA-N","374069",NA,"PDBC12160","651328","Present"
-"2,2-Dimethyl-8-[4-oxo-4-(2-thienyl)butyl]-4-phenyl-4,8-diaza-2-azoniaspiro[4.5]decan-1-one; fumaric acid","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-8-(4-oxo-4-thiophen-2-ylbutyl)-1-phenyl-1,8-diaza-3-azoniaspiro[4.5]decan-4-one;(E)-4-hydroxy-4-oxobut-2-enoate","","C[N+]1(CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3)C4=CC=CC=C4)C.C(=CC(=O)[O-])C(=O)O","AFAYOBGZHBMWCH-WLHGVMLRSA-M","5468185",NA,"PDBC12161","665890","Present"
-"2,2-Dimethyl-9-((1-methylethylidene)amino)-2,9-dihydro-1H-purine-6-carboxamide","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-9-((1-methylethylidene)amino)-2,9-dihydro-1H-purine-6-carboxamide","","CC(=NN1C=NC2=C1NC(N=C2C(=O)N)(C)C)C","CRVDNEPUOIYAAR-UHFFFAOYSA-N","135409139",NA,"PDBC12162","659337","Present"
-"2,2-Dimethyl-9-phenyl-2,9-dihydro-1H-purine-6-carboxamide","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-9-phenyl-2,9-dihydro-1H-purine-6-carboxamide","","CC1(NC2=C(C(=N1)C(=O)N)N=CN2C3=CC=CC=C3)C","GAWKNXRQFOYIMG-UHFFFAOYSA-N","135399247",NA,"PDBC12163","670259","Present"
-"2,2-Dimethyl-N-(2-phenyl-1-benzofuran-4-yl)propanamide","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-N-(2-phenyl-1-benzofuran-4-yl)propanamide","","CC(C)(C)C(=O)NC1=C2C=C(OC2=CC=C1)C3=CC=CC=C3","AVZMTTBKBZKIJM-UHFFFAOYSA-N","360067",NA,"PDBC12164","621865","Present"
-"2,2-Dimethyl-N-[6-(1H-pyrrol-2-yl)pyridin-2-yl]propanamide","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-N-[6-(1H-pyrrol-2-yl)pyridin-2-yl]propanamide","","CC(C)(C)C(=O)NC1=CC=CC(=N1)C2=CC=CN2","MJNDSVXRYGAGMG-UHFFFAOYSA-N","395737",NA,"PDBC12165","700537","Present"
-"2,2-Dimethylhexahydrofuro[3,4-f][1,3]benzodioxol-5(3aH)-one","","","","","","","","","","","","","","","","","","","","2,2-Dimethylhexahydrofuro[3,4-f][1,3]benzodioxol-5(3aH)-one","","CC1(OC2CC3COC(=O)C3CC2O1)C","VVNCWBKXDNMJJQ-UHFFFAOYSA-N","369600",NA,"PDBC12166","641481","Present"
-"2,2-Dimethylpropyl (1Z)-N-(3,4-dichlorophenyl)sulfonylethanimidate","","","","","","","","","","","","","","","","","","","","2,2-Dimethylpropyl (1Z)-N-(3,4-dichlorophenyl)sulfonylethanimidate","","CC(=NS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl)OCC(C)(C)C","OOLNYEXPYZZVTP-SXGWCWSVSA-N","6040132",NA,"PDBC12167","116933","Present"
-"2,2-Dimethylpropyl 2-[(5Z)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]acetate","","","","","","","","","","","","","","","","","","","","(Z)-Neopentyl 2-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-...","","CC1=C(C(=NC1=CC2=C(C=C(N2)C3=CC=CN3)OC)C)CC(=O)OCC(C)(C)C","AHVIZCSRZSGHRH-WQRHYEAKSA-N","155807647",NA,"PDBC12168","787810","Present"
-"2,2-Dimethylpropyl-dimethyl-phenylphosphanium;bromide","","","","","","","","","","","","","","","","","","","","2,2-Dimethylpropyl-dimethyl-phenylphosphanium;bromide","","CC(C)(C)C[P+](C)(C)C1=CC=CC=C1.[Br-]","QLCMLBPJBWLQQU-UHFFFAOYSA-M","357597",NA,"PDBC12169","617070","Present"
-"2,2-Dimethylspiro[1,3-dioxolane-5,7'-bicyclo[4.2.0]octane]-4,8'-dione","","","","","","","","","","","","","","","","","","","","2,2-Dimethylspiro[1,3-dioxolane-5,8'-bicyclo[4.2.0]octane]-4,7'-dione","","CC1(OC(=O)C2(O1)C3CCCCC3C2=O)C","RBCMPIKMYFAJCK-UHFFFAOYSA-N","388760",NA,"PDBC12170","683838","Present"
-"2,2-Dioctyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dioctyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one","","CCCCCCCC[Sn]1(OC2=C(C=CC=N2)C(=O)O1)CCCCCCCC","AITYHXKECSDIBE-UHFFFAOYSA-L","16683163",NA,"PDBC12171","633496","Present"
-"2,2-Dioctyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one","","","","","","","","","","","","","","","","","","","","2,2-Dioctyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one","","CCCCCCCC[Sn]1(OC(=O)C2=C(S1)N=CC=C2)CCCCCCCC","VCDURKJFKAVGPI-UHFFFAOYSA-L","16683169",NA,"PDBC12172","633503","Present"
-"2,2-Dioxo-6,7-diphenyl-1H-pyrazino[2,3-c][1,2,6]thiadiazin-4-amine","","","","","","","","","","","","","","","","","","","","4-Amino-6,7-diphenyl-1H-pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxide","","C1=CC=C(C=C1)C2=C(N=C3C(=N2)C(=NS(=O)(=O)N3)N)C4=CC=CC=C4","JQJYHNXKWPLTOY-UHFFFAOYSA-N","135408966",NA,"PDBC12173","650970","Present"
-"2,2-Diphenyl-1-(2-thioxo-1-pyrrolidinyl)vinyl diphenylacetate","","","","","","","","","","","","","","","","","","","","2,2-Diphenyl-1-(2-thioxo-1-pyrrolidinyl)vinyl diphenylacetate","","C1CC(=S)N(C1)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5","PYOUSZOHFSNZPE-UHFFFAOYSA-N","379161",NA,"PDBC12174","663574","Present"
-"2,2-Diphenyl-1-oxa-3-aza-2-boranuidacyclohexane","","","","","","","","","","","","","","","","","","","","2,2-Diphenyl-1-oxa-3-aza-2-boranuidacyclohexane","","","","",NA,"PDBC12175","667867","Present"
-"2,2-Diphenyl-4-(1-piperidinyl)pentanenitrile","","","","","","","","","","","","","","","","","","","","2,2-DIPHENYL-4-PIPERIDINOVALERONITRILE","","CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCCC3","ILJNEWQDWFOAGR-UHFFFAOYSA-N","95000",NA,"PDBC12176","13176","Present"
-"2,2-Diphenyl-4-(sulfanylmethyl)-1-oxa-3-aza-2-boranuidacyclopentan-5-one","","","","","","","","","","","","","","","","","","","","2,2-Diphenyl-4-(sulfanylmethyl)-1-oxa-3-aza-2-boranuidacyclopentan-5-one","","","","",NA,"PDBC12177","641294","Present"
-"2,2-Syn-2-[2',3'-dihydroxypropylmercapto] brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-2-[2',3'-dihydroxypropylmercapto] br...","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCC(CO)O)O)O","OGJVIHGFTHNAGM-CQGJOIFTSA-N","24202568",NA,"PDBC12178","690978","Present"
-"2,2-Syn-2-[2'-aminopropylsulfenyl]-brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-2-[2'-aminopropylsulfenyl]-brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)CCN)O)O","IRCDUPSHISIJOZ-FINUKYLLSA-N","24202571",NA,"PDBC12179","692306","Present"
-"2,2-Syn-2-[4'-methoxyphenylsulfenyl] Brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-2-[4'-methoxyphenylsulfenyl] Brefeld...","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)C3=CC=C(C=C3)OC)O)O","LNLIDCISFIYWLB-HENMLQJWSA-N","10550891",NA,"PDBC12180","690980","Present"
-"2,2-Syn-2-[N,N-dimethylaminoethylsulfenyl]-brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-2-[N,N-dimethylaminoethylsulfenyl]-b...","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)CCN(C)C)O)O","GXQNJTBOERVAFD-XEGASWIMSA-N","24202582",NA,"PDBC12181","695859","Present"
-"2,2-Syn-2-[S-(L)-cysteinylsulfoxide-]-brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-2-[S-(L)-cysteinylsulfoxide-]-brefel...","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)CC(C(=O)O)N)O)O","GWXPRYCNCLTKGI-ABZSLSCJSA-N","24202584",NA,"PDBC12182","696257","Present"
-"2,2-Syn-2-[beta-D-glucosyl-1-thio-]-brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-2-[.beta.-D-glucosyl-1-thio-]- brefe...","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SC3C(C(C(C(O3)CO)O)O)O)O)O","NOIDTPUWOQPNJU-BELUJVFYSA-N","24202570",NA,"PDBC12183","692305","Present"
-"2,2-Syn-2-[carboethoxymethylsulfenyl brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-2-[carboethoxymethylsulfenyl brefeld...","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)CCC(=O)OC)O)O","MZPUGCRJYDTIDG-SXTPMCHXSA-N","10788062",NA,"PDBC12184","690977","Present"
-"2,2-Syn-2-[carbomethoxymethylsulphonyl]-10,11-epoxy-brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-2-[carbomethoxymethylsulphonyl]-10,1...","","CC1CCCC2C(O2)C3CC(CC3C(C(CC(=O)O1)S(=O)(=O)CC(=O)OC)O)O","XYODRWJTLUUCLC-GTFMIFQYSA-N","24202576",NA,"PDBC12185","694612","Present"
-"2,2-Syn-2-[glutathionyl]-brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-2-[glutathionyl]-brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O","MNEIUGQXXNPVSB-HHLWSMLDSA-N","24202577",NA,"PDBC12186","694613","Present"
-"2,2-Syn-3-[4'-chlorophenylseleno]brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-3-[4'-chlorophenylseleno]brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)[Se]C3=CC=C(C=C3)Cl)O)O","UENUIIRHVWNSPH-BAJBADSPSA-N","10906804",NA,"PDBC12187","701557","Present"
-"2,2-Syn-3-[benzylseleno]brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-3-[benzylseleno]brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)[Se]CC3=CC=CC=C3)O)O","ZGBSHMOYPHIUMT-LHHYAPNZSA-N","10874069",NA,"PDBC12188","701556","Present"
-"2,2-Syn-3-[methylseleno]brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-3-[methylseleno]brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)[Se]C)O)O","CCNATFPAWRYEPF-OFOOJMDESA-N","10970813",NA,"PDBC12189","701755","Present"
-"2,2-Syn-3-[phenylseleno]brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1,2-syn-3-[phenylseleno]brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)[Se]C3=CC=CC=C3)O)O","LPADNYFBEMZNNM-LJJFVIJXSA-N","10982991",NA,"PDBC12190","701555","Present"
-"2,2-c]Chro men-5-yl acetate","","","","","","","","","","","","","","","","","","","","2,5-dihydro-2-oxo-3-(2-oxo-2H-chromen-3-yl)pyrano[3,2-c]...","","CC(=O)OC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)C4=CC5=CC=CC=C5OC4=O","KCHMUOLGIBCTNB-UHFFFAOYSA-N","24205748",NA,"PDBC12191","736562","Present"
-"2,26-Diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4,6,8,16(25),19,21,23-nonaene-14-carbonitrile","","","","","","","","","","","","","","","","","","","","Dinaphtho[1,2-b:2',1'-g][1,8]naphthyridine- 7a-carbonitr...","","C1CC2=CC=CC=C2C3=C1CC4(CC5=C(C6=CC=CC=C6CC5)N=C4N3)C#N","VYBVHILOYLOLAF-UHFFFAOYSA-N","384656",NA,"PDBC12192","674701","Present"
-"2,3',3''-SEtNMe2-4,6-diPh-Pyr","","","","","","","","","","","","","","","","","","","","2,3',3''-SEtNMe2-4,6-diPh-Pyr","","CN(C)CCSC1=CC=CC(=C1)C2=CC(=NC(=N2)SCCN(C)C)C3=CC(=CC=C3)SCCN(C)C","SBSYEFHUQYUCED-UHFFFAOYSA-N","358880",NA,"PDBC12193","619007","Present"
-"2,3'-Bi-1H-indole, 2,3-dihydro-1-(1-oxo-3-phenyl-2-propynyl)-","","","","","","","","","","","","","","","","","","","","1-[2-(1H-Indol-3-yl)indolin-1-yl]-3-phenyl-prop-2-yn-1-one","","C1C(N(C2=CC=CC=C21)C(=O)C#CC3=CC=CC=C3)C4=CNC5=CC=CC=C54","SUDNTGVJVMSIQD-UHFFFAOYSA-N","365631",NA,"PDBC12194","633485","Present"
-"2,3':2',3''-Terthiophene","","","","","","","","","","","","","","","","","","","","Q27121897","","C1=CSC(=C1)C2=C(SC=C2)C3=CSC=C3","VCVOIRBUZJKYOX-UHFFFAOYSA-N","395540",NA,"PDBC12195","700231","Present"
-"2,3':4',2''-Terthiophene","","","","","","","","","","","","","","","","","","","","2,3:4,2-TErthiophene","","C1=CSC(=C1)C2=CSC=C2C3=CC=CS3","XMTNPHVYRJHQFV-UHFFFAOYSA-N","395534",NA,"PDBC12196","700225","Present"
-"2,3':4',3''-Terthiophene","","","","","","","","","","","","","","","","","","","","2,3':4',3''-Terthiophene","","C1=CSC(=C1)C2=CSC=C2C3=CSC=C3","YEAITYULKZJLIY-UHFFFAOYSA-N","395536",NA,"PDBC12197","700227","Present"
-"2,3':4,6:4',6'-Tetra-O-cyclohexlidene-alpha,alpha'-trehalose","","","","","","","","","","","","","","","","","","","","2,3:2',3':4,6:4',6'-Tetra-O-cyclohexlidene-.alpha.,.alph...","","C1CCC2(CC1)OCC3C(O2)C4C(C(O3)OC5C6C(C7C(O5)COC8(O7)CCCCC8)OC9(O6)CCCCC9)OC1(O4)CCCCC1","FSTFTLLOOMGTTP-HNGBAHPMSA-N","387508",NA,"PDBC12198","681318","Present"
-"2,3':5',3''-Terthiophene","","","","","","","","","","","","","","","","","","","","4-(2-Thienyl)-2-(3-thienyl)thiophene","","C1=CSC(=C1)C2=CSC(=C2)C3=CSC=C3","LMHFDOLDSKSUOD-UHFFFAOYSA-N","395537",NA,"PDBC12199","700228","Present"
-"2,3,10,11-Tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-8-one","","","","","","","","","","","","","","","","","","","","8H-Dibenzo[a,g]quinolizine-8-one, 5,6-dihydro- 2,3,10,11...","","COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C4C3=O)OC)OC)OC","RNYYLJRCLSSAOZ-UHFFFAOYSA-N","392605",NA,"PDBC12200","693145","Present"
-"2,3,10,11-Tetramethoxy-8-methyl-8H-isoquino[3,2-a]isoquinoline","","","","","","","","","","","","","","","","","","","","2,3,10,11-Tetramethoxy-8-methyl-8H-isoquino[3,2-a]isoquinoline","","CC1C2=CC(=C(C=C2C=C3N1C=CC4=CC(=C(C=C43)OC)OC)OC)OC","HXRVLYCRGOAIRA-UHFFFAOYSA-N","375620",NA,"PDBC12201","655443","Present"
-"2,3,10,11-Tetramethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-13-ol","","","","","","","","","","","","","","","","","","","","2,3,10,11-Tetramethoxy-8-methylisoquino[3,2-a]isoquinolinium-13-olate","","CC1=[N+]2C=CC3=CC(=C(C=C3C2=C(C4=CC(=C(C=C14)OC)OC)[O-])OC)OC","KHZNSMOSJYLIKG-UHFFFAOYSA-N","375621",NA,"PDBC12202","655444","Present"
-"2,3,10-Trimethoxy-5,8,15,15a-tetrahydro-6H-benzo[h]isoquino[2,1-b]isoquinoline","","","","","","","","","","","","","","","","","","","","2,3,10-Trimethoxy-5,8,15,15a-tetrahydro-6H-benzo[h]isoquino[2,1-b]isoquinoline","","COC1=CC2=C(C=CC3=C2CN4CCC5=CC(=C(C=C5C4C3)OC)OC)C=C1","MUSWLDXMCFTNFG-UHFFFAOYSA-N","362990",NA,"PDBC12203","627518","Present"
-"2,3,11,12-Tetramethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine","","","","","","","","","","","","","","","","","","","","2,3,11,12-Tetramethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine","","COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCCC2=C1)OC)OC)OC","TVBRYPWZLXTVSF-UHFFFAOYSA-N","384194",NA,"PDBC12204","673600","Present"
-"2,3,11,12-Tetramethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine","","","","","","","","","","","","","","","","","","","","2,3,11,12-Tetramethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine","","COC1=C(C=C2CC3C4=CC(=C(C=C4CCN3CCC2=C1)OC)OC)OC","FDWCQJQXTYABFS-UHFFFAOYSA-N","390003",NA,"PDBC12205","686926","Present"
-"2,3,11-Trimethoxy-5,7,8,13,13a,14-hexahydroisoquinolino[3,2-b][3]benzazepine","","","","","","","","","","","","","","","","","","","","2,3,11-Trimethoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine","","COC1=CC2=C(CCN3CC4=CC(=C(C=C4CC3C2)OC)OC)C=C1","RNDCRGJOPCLHPU-UHFFFAOYSA-N","393747",NA,"PDBC12206","696361","Present"
-"2,3,11-Trimethyl-8,9-dihydro-7H-pyrazino[2,3-a]carbazole-5,6,10-trione","","","","","","","","","","","","","","","","","","","","2,3,11-Trimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione","","CC1=C(N=C2C(=N1)C3=C(C4=C(N3C)C(=O)CCC4)C(=O)C2=O)C","NALCLAKZYQIDMJ-UHFFFAOYSA-N","404059",NA,"PDBC12207","720177","Present"
-"2,3,12-Trimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine","","","","","","","","","","","","","","","","","","","","2,3,12-Trimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine","","COC1=CC2=C(C=C1)C3C4=CC(=C(C=C4CCN3CCC2)OC)OC","XCUJHGZDLPCNTA-UHFFFAOYSA-N","380329",NA,"PDBC12208","665820","Present"
-"2,3,3Aalpha,3b,4,4a,5,6,7,7abeta,8,8a,9,9aalpha-Tetradecahydro-4beta,5alpha,8beta-triacetoxy-8abeta-(acetoxymethyl)-7alpha-(benzoyloxy)-4aalpha-hydroxy-2,2,3bbeta,6alpha-tetramethyl-1H-cyclopenta[a]-s-indacene-1-one","","","","","","","","","","","","","","","","","","","","[(1R,2R,3R,4S,5R,6R,7S,8R,9S,10R,14R)-2,6,8-Triacetyloxy-1-(acetyloxymethyl)-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate","","CC1C(C2C(C3(CC4C(C3(C(C2(C1OC(=O)C)O)OC(=O)C)C)CC(C4=O)(C)C)COC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5","WWWGOMJSMDSXJH-MEDNKGMWSA-N","5469444",NA,"PDBC12209","688231","Present"
-"2,3,4,4'-Tetramethoxy-1,1'-biphenyl","","","","","","","","","","","","","","","","","","","","2,3,4,4'-Tmbp","","COC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC)OC)OC","TZYDMNYEWNWIMB-UHFFFAOYSA-N","165441",NA,"PDBC12210","36768","Present"
-"2,3,4,5,6-Pentachlorophenyl (4-chloro-2-methylphenoxy)acetate","","","","","","","","","","","","","","","","","","","","2,3,4,5,6-Pentachlorophenyl (4-chloro-2-methylphenoxy)acetate","","CC1=C(C=CC(=C1)Cl)OCC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl","AFZUEPRXYHCXRD-UHFFFAOYSA-N","302937",NA,"PDBC12211","190694","Present"
-"2,3,4,5,6-Pentachlorophenyl 2-((3-methyl-2-((3-methyl-2-((trifluoroacetyl)amino)butanoyl)amino)butanoyl)amino)propanoate","","","","","","","","","","","","","","","","","","","","2,3,4,5,6-Pentachlorophenyl 2-((3-methyl-2-((3-methyl-2-((trifluoroacetyl)amino)butanoyl)amino)butanoyl)amino)propanoate","","CC(C)C(C(=O)NC(C)C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)NC(=O)C(C(C)C)NC(=O)C(F)(F)F","NBEXCWSOFZSABN-UHFFFAOYSA-N","381814",NA,"PDBC12212","668887","Present"
-"2,3,4,5,6-Pentachlorophenyl 2-(phenylcarbonylamino)acetate","","","","","","","","","","","","","","","","","","","","2,3,4,5,6-Pentachlorophenyl 2-(phenylcarbonylamino)acetate","","C1=CC=C(C=C1)C(=O)NCC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl","DNRAMFMTBFHONY-UHFFFAOYSA-N","286703",NA,"PDBC12213","145672","Present"
-"2,3,4,5,6-Pentafluorophenylacetonitrile","","","","","","","","","","","","","","","","","","","","ZX-AP001922","","C(C#N)C1=C(C(=C(C(=C1F)F)F)F)F","YDNOJUAQBFXZCR-UHFFFAOYSA-N","69554",NA,"PDBC12214","612875","Present"
-"2,3,4,5,6-Pentakis-phenylpyrylium;perchlorate","","","","","","","","","","","","","","","","","","","","NSC624847","","C1=CC=C(C=C1)C2=C(C(=[O+]C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O","QWALHAKTYRNIQY-UHFFFAOYSA-M","11330456",NA,"PDBC12215","624847","Present"
-"2,3,4,5-Tetraacetoxymercurithiophene","","","","","","","","","","","","","","","","","","","","Mercury, tetrakis(acetato)(2,3,4,5-thiophenetetrayl)tetra-","","CC(=O)O[Hg]C1=C(SC(=C1[Hg]OC(=O)C)[Hg]OC(=O)C)[Hg]OC(=O)C","HJQNAYSBLJGRJT-UHFFFAOYSA-J","16683745",NA,"PDBC12216","145801","Present"
-"2,3,4,5-Tetraacetyloxyhexanedioic acid","","","","","","","","","","","","","","","","","","","","AC-907/25005272","","CC(=O)OC(C(C(C(=O)O)OC(=O)C)OC(=O)C)C(C(=O)O)OC(=O)C","RITGLGZGMSTJIQ-UHFFFAOYSA-N","230395",NA,"PDBC12217","25290","Present"
-"2,3,4,5-Tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benz...","","C1=CC2=C(C=C1O)OC3=C(C2C4=C(C(=C(C(=C4Br)Br)Br)Br)C(=O)O)C=CC(=C3)O","ABKDQIYZBHXIDA-UHFFFAOYSA-N","274104",NA,"PDBC12218","119889","Present"
-"2,3,4,5-Tetrachloro-6-((1H-indazol-6-ylamino)carbonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2,3,4,5-Tetrachloro-6-((1H-indazol-6-ylamino)carbonyl)benzoic acid","","C1=CC2=C(C=C1NC(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O)NN=C2","NRHNTNMBNZODJZ-UHFFFAOYSA-N","320994",NA,"PDBC12219","270156","Present"
-"2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid [12-(2,3,4,5-tetrahydroxy-6-oxo-hexanoylamino)-dodecyl]-amide","","","","","","","","","","","","","","","","","","","","2,3,4,5-Tetrahydroxy-6-oxo-N-[12-[(2,3,4,5-tetrahydroxy-6-oxohexanoyl)amino]dodecyl]hexanamide","","C(CCCCCCNC(=O)C(C(C(C(C=O)O)O)O)O)CCCCCNC(=O)C(C(C(C(C=O)O)O)O)O","BURHNIUXIPTERU-UHFFFAOYSA-N","382455",NA,"PDBC12220","670020","Present"
-"2,3,4,5-Tetrahydroxypentanehydrazide","","","","","","","","","","","","","","","","","","","","2,3,4,5-Tetrahydroxypentanehydrazide","","C(C(C(C(C(=O)NN)O)O)O)O","GQRGREOAXWDDQQ-UHFFFAOYSA-N","243316",NA,"PDBC12221","52902","Present"
-"2,3,4,5-Tetramethoxybenzamide","","","","","","","","","","","","","","","","","","","","2,3,4,5-Tetramethoxybenzamide","","COC1=C(C(=C(C(=C1)C(=O)N)OC)OC)OC","ORMFJRSZBIHCFJ-UHFFFAOYSA-N","359189",NA,"PDBC12222","619871","Present"
-"2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl (10E,13E)-octadeca-10,13-dienoate","","","","","","","","","","","","","","","","","","","","2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl (10E,13E)-octadeca-10,13-dienoate","","CCCCC=CCC=CCCCCCCCCC(=O)OCC1CCCN2C1CCCC2","VHRHCOQFSHKQLI-HHWLVVFRSA-N","5459283",NA,"PDBC12223","685527","Present"
-"2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl 2-(1,3-dioxoisoindol-2-yl)acetate","","","","","","","","","","","","","","","","","","","","2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl 2-(1,3-dioxoisoindol-2-yl)acetate","","C1CCN2CCCC(C2C1)COC(=O)CN3C(=O)C4=CC=CC=C4C3=O","GJCQCBQSFMXFTI-UHFFFAOYSA-N","5459286",NA,"PDBC12224","685531","Present"
-"2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl 3-chlorobutanoate","","","","","","","","","","","","","","","","","","","","2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl 3-chlorobutanoate","","CC(CC(=O)OCC1CCCN2C1CCCC2)Cl","ROHPXULMYHXOLH-UHFFFAOYSA-N","5459284",NA,"PDBC12225","685528","Present"
-"2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl pyridine-3-carboxylate","","C1CCN2CCCC(C2C1)COC(=O)C3=CN=CC=C3","MSQYOYUITDERLP-UHFFFAOYSA-N","5459285",NA,"PDBC12226","685530","Present"
-"2,3,4,6,7-Pentamethoxy-9H-fluoren-9-one","","","","","","","","","","","","","","","","","","","","2,3,4,6,7-Pentamethoxy-9H-fluoren-9-one","","COC1=C(C=C2C(=C1)C3=C(C(=C(C=C3C2=O)OC)OC)OC)OC","RAOUCZHCWRKLKL-UHFFFAOYSA-N","363261",NA,"PDBC12227","628012","Present"
-"2,3,4-Tribromo-5-(3,5-dibromo-2,6-dimethoxyphenyl)-1H-pyrrole","","","","","","","","","","","","","","","","","","","","2,3,4-Tribromo-5-(3,5-dibromo-2,6-dimethoxyphenyl)-1H-pyrrole","","COC1=C(C(=C(C=C1Br)Br)OC)C2=C(C(=C(N2)Br)Br)Br","DRWWCZBRDDBVMR-UHFFFAOYSA-N","369632",NA,"PDBC12228","641542","Present"
-"2,3,4-Trihydroxy-4-(2-thioxooxazolidin-5-yl)butanal","","","","","","","","","","","","","","","","","","","","2,3,4-Trihydroxy-4-(2-thioxooxazolidin-5-yl)butanal","","C1C(OC(=S)N1)C(C(C(C=O)O)O)O","QLGLZMOFRFISTH-UHFFFAOYSA-N","3004975",NA,"PDBC12229","666129","Present"
-"2,3,4-Tris(hydroxymethyl)-5,8-dihydro-7H-pyrano[4,3-b]pyridin-7-one","","","","","","","","","","","","","","","","","","","","2,3,4-Tris(hydroxymethyl)-5,8-dihydro-7H-pyrano[4,3-b]pyridin-7-one","","C1C2=C(COC1=O)C(=C(C(=N2)CO)CO)CO","REIONIYEANSVTB-UHFFFAOYSA-N","374571",NA,"PDBC12230","652545","Present"
-"2,3,4-Tris-benzyloxy-7-fluoro-6,8-dioxa-bicyclo[3.2.1]octane","","","","","","","","","","","","","","","","","","","","2,3,4-Tris-benzyloxy-7-fluoro-6,8-dioxa-bicyclo[3.2.1]octane","","C1=CC=C(C=C1)COC2C3C(OC(O3)C(C2OCC4=CC=CC=C4)OCC5=CC=CC=C5)F","VVYYABQKOHJFPD-UHFFFAOYSA-N","364917",NA,"PDBC12231","631804","Present"
-"2,3,4a,8,12b-Pentahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione","","","","","","","","","","","","","","","","","","","","Benz[a]anthracene-1,7,12(12b-H)-trione, 2,3,4,4a-tetra- ...","","CC1(CC2(C=CC3=C(C2(C(=O)C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O","TVRZORMBTKRMAO-UHFFFAOYSA-N","43854",NA,"PDBC12232","368697","Present"
-"2,3,5,6,7,8,9,9a-Octahydro-1H-benzo[a]cyclohepten-2-yl(diphenyl)phosphine oxide","","","","","","","","","","","","","","","","","","","","2-diphenylphosphoryl-2,3,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene","","C1CCC2CC(CC=C2CC1)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","IZFJIOPRYIDKFO-UHFFFAOYSA-N","364914",NA,"PDBC12233","631801","Present"
-"2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol","","","","","","","","","","","","","","","","","","","","2,3,5,6,7,8-hexahydropyrrolizin-1-one; picric acid","","C1CC2C(=O)CCN2C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","HMXOCEBEADFWJP-UHFFFAOYSA-N","387012",NA,"PDBC12234","680333","Present"
-"2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)10-undecenylphosphine oxide","","","","","","","","","","","","","","","","","","","","17-[Phenyl(undec-10-enyl)phosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene","","C=CCCCCCCCCCP(=O)(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCOCCOCCOCCO3","VNESALLUNPJGSF-UHFFFAOYSA-N","374219",NA,"PDBC12235","651709","Present"
-"2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-ylphosphonic acid","","","","","","","","","","","","","","","","","","","","2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-17-ylphosphonic acid","","C1COCCOC2=C(C=C(C=C2)P(=O)(O)O)OCCOCCO1","FYVSNUCIUWSALH-UHFFFAOYSA-N","376523",NA,"PDBC12236","657482","Present"
-"2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-sulfonamide","","","","","","","","","","","","","","","","","","","","2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-sulfonamide","","C1COCCOC2=C(C=C(C=C2)S(=O)(=O)N)OCCOCCO1","GECGMOOZAWAKPE-UHFFFAOYSA-N","376526",NA,"PDBC12237","657485","Present"
-"2,3,5,6-Tetrafluorobenzenethiol","","","","","","","","","","","","","","","","","","","","OU983I5IKR","","C1=C(C(=C(C(=C1F)F)S)F)F","IGOGJHYWSOZGAE-UHFFFAOYSA-N","69859",NA,"PDBC12238","96887","Present"
-"2,3,5,6-Tetrahydro-1H-benzo[f][1,4]diazepino[3,2,1-ij]quinoline-1,7(8H)-dione","","","","","","","","","","","","","","","","","","","","1H-Benzo[h]pyrido[1,2,3-ef][1,5]benzodiazepine-1,7(8H)-d...","","C1CN2CCC(=O)NC3=CC4=CC=CC=C4C(=C32)C1=O","CZXYUWVDRUMHPL-UHFFFAOYSA-N","371132",NA,"PDBC12239","645092","Present"
-"2,3,5,6-Tetrahydro-3,5-dioxo-2,6-dihexyl-4H-1,2,6-thiadiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2,6-Dihexyl-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide","","CCCCCCN1C(=O)CC(=O)N(S1(=O)=O)CCCCCC","JKQRSYNXIKTECI-UHFFFAOYSA-N","403539",NA,"PDBC12240","718555","Present"
-"2,3,5,6-Tetrahydroxy-4-methoxy-N'-phenylhexanehydrazide","","","","","","","","","","","","","","","","","","","","HYXALBNMTPMXOQ-UHFFFAOYSA-N","","COC(C(CO)O)C(C(C(=O)NNC1=CC=CC=C1)O)O","HYXALBNMTPMXOQ-UHFFFAOYSA-N","345720",NA,"PDBC12241","403468","Present"
-"2,3,5,6-Tetramethyl-4-((((4-methylphenyl)sulfinyl)oxy)methyl)benzyl 4-methylbenzenesulfinate","","","","","","","","","","","","","","","","","","","","2,3,5,6-Tetramethyl-4-((((4-methylphenyl)sulfinyl)oxy)methyl)benzyl 4-methylbenzenesulfinate","","CC1=CC=C(C=C1)S(=O)OCC2=C(C(=C(C(=C2C)C)COS(=O)C3=CC=C(C=C3)C)C)C","NZXOYAXVOGYOLE-UHFFFAOYSA-N","361217",NA,"PDBC12242","624177","Present"
-"2,3,5,6-Tetramethylpyrazine 1,4-dioxide","","","","","","","","","","","","","","","","","","","","A818196","","CC1=C([N+](=O)C(=C(N1[O-])C)C)C","JGDKFQZZRSSDPH-UHFFFAOYSA-N","227746",NA,"PDBC12243","19727","Present"
-"2,3,5,8-Tetrahydroxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione","","","","","","","","","","","","","","","","","","","","9,10-Anthracenedione, 1,2,3,4-tetrahydro- 2,3,5,8-tetrah...","","CC1(CC2=C(CC1O)C(=C3C(=O)C=CC(=O)C3=C2O)O)O","PPLKCVVBJTYAFT-UHFFFAOYSA-N","331314",NA,"PDBC12244","322355","Present"
-"2,3,5-Triphenyl-1,3-selenazol-3-ium-4-olate","","","","","","","","","","","","","","","","","","","","2,3,5-Triphenyl-1,3-selenazol-3-ium-4-olate","","C1=CC=C(C=C1)C2=C([N+](=C([Se]2)C3=CC=CC=C3)C4=CC=CC=C4)[O-]","JICIQSRTUDKTOF-UHFFFAOYSA-N","363056",NA,"PDBC12245","627605","Present"
-"2,3,5-Triphenyltetrazolium chloride","","","","","","","","","","","","","","","","","","","","tptz","","C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","PKDBCJSWQUOKDO-UHFFFAOYSA-M","9283",NA,"PDBC12246","5053","Present"
-"2,3,5-Tris(2-thienyl)thiophene","","","","","","","","","","","","","","","","","","","","2,3,5-Tris(2-thienyl)thiophene","","C1=CSC(=C1)C2=CC(=C(S2)C3=CC=CS3)C4=CC=CS4","DCPXRPFZUQQHBW-UHFFFAOYSA-N","376724",NA,"PDBC12247","657770","Present"
-"2,3,5-Trithiahexane","","","","","","","","","","","","","","","","","","","","2,3,5-Trithiahexane","","CSCSSC","MYIOBINSHMEDEY-UHFFFAOYSA-N","93236",NA,"PDBC12248","710988","Present"
-"2,3,6,11-Tetramethylbenzimidazolo[1,2-b]isoquinoline","","","","","","","","","","","","","","","","","","","","2,3,6,11-Tetramethylbenzimidazo[1,2-b]isoquinoline","","CC1=CC2=C(C=C1C)N3C(=C4C=CC=CC4=C(C3=N2)C)C","HXHFKNUZGSZEQN-UHFFFAOYSA-N","379115",NA,"PDBC12249","663329","Present"
-"2,3,6,2,3,4,6-Hepta-O-acetyl-b-maltosyl azide","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-azido-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N=[N+]=[N-])OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","JFCQZWVIHHPJTD-UHFFFAOYSA-N","4144737",NA,"PDBC12250","636812","Present"
-"2,3,6,7-Tetrabenzoylthiopyrano[3,2-b]thiopyran-4,8-dione","","","","","","","","","","","","","","","","","","","","2,3,6,7-Tetrabenzoylthiopyrano[3,2-b]thiopyran-4,8-dione","","C1=CC=C(C=C1)C(=O)C2=C(SC3=C(C2=O)SC(=C(C3=O)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6","DLYDHGZBDLRJFZ-UHFFFAOYSA-N","399527",NA,"PDBC12251","710391","Present"
-"2,3,6,7-Tetrabromo-3,7-dimethyloct-1-ene","","","","","","","","","","","","","","","","","","","","2,3,6,7-Tetrabromo-3,7-dimethyloct-1-ene","","CC(C)(C(CCC(C)(C(=C)Br)Br)Br)Br","NPUWTHRIMANTOV-UHFFFAOYSA-N","376325",NA,"PDBC12252","657139","Present"
-"2,3,6,7-Tetrachloro-3,7-dimethyloct-1-ene","","","","","","","","","","","","","","","","","","","","2,3,6,7-Tetrachloro-3,7-dimethyloct-1-ene","","CC(C)(C(CCC(C)(C(=C)Cl)Cl)Cl)Cl","NQOZSSNSFWUVSE-UHFFFAOYSA-N","382932",NA,"PDBC12253","670809","Present"
-"2,3,6,7-Tetrakis[tert-butyl(methyl)carbamoyl]cubane-1,4-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","2,3,6,7-Tetrakis[tert-butyl(methyl)carbamoyl]cubane-1,4-dicarboxylic acid","","CC(C)(C)N(C)C(=O)C12C3C4(C1(C5C2(C3(C54C(=O)N(C)C(C)(C)C)C(=O)O)C(=O)N(C)C(C)(C)C)C(=O)O)C(=O)N(C)C(C)(C)C","FEPBPPURYMFXIJ-UHFFFAOYSA-N","386913",NA,"PDBC12254","679814","Present"
-"2,3,6,7-Tetramethoxy-8b,9,11,12,13,13a,14,14a-octahydrophenanthro[9,10-f]indolizin-14-ol","","","","","","","","","","","","","","","","","","","","2,3,6,7-Tetramethoxy-8b,9,10,11,12,12a,13,13a-octahydro-...","","COC1=C(C=C2C(=C1)C3CN4CCCC4C(C3C5=CC(=C(C=C52)OC)OC)O)OC","HYALGBPFSAGPSX-UHFFFAOYSA-N","402925",NA,"PDBC12255","717336","Present"
-"2,3,6-Piperidinetrione, 4-(2-benzothiazolyl)-5-[(1,2,3,4-tetrahydro-1,4-dioxo-5-phthalazinyl)imino]-, (5E)-","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-5-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)imino]piperidine-2,3,6-trione","","C1=CC=C2C(=C1)N=C(S2)C3C(=NC4=CC=CC5=C4C(=O)NNC5=O)C(=O)NC(=O)C3=O","WIDJFCRTFAJYBM-UHFFFAOYSA-N","360710",NA,"PDBC12256","623046","Present"
-"2,3,6-Tribromo-7-chloro-3,7-dimethyloct-1-ene","","","","","","","","","","","","","","","","","","","","2,3,6-Tribromo-7-chloro-3,7-dimethyl-1-octene","","CC(C)(C(CCC(C)(C(=C)Br)Br)Br)Cl","ORSDYIOUHDVWAO-UHFFFAOYSA-N","377930",NA,"PDBC12257","659553","Present"
-"2,3,6-Trichloro-3,7-dimethyloct-1-ene","","","","","","","","","","","","","","","","","","","","2,3,6-Trichloro-3,7-dimethyloct-1-ene","","CC(C)C(CCC(C)(C(=C)Cl)Cl)Cl","CFMAZVBKHYYPCB-UHFFFAOYSA-N","382937",NA,"PDBC12258","670814","Present"
-"2,3,6-Trimethoxyphenanthrene-9-carboxylic acid","","","","","","","","","","","","","","","","","","","","DA-27458","","COC1=CC2=C3C=C(C(=CC3=CC(=C2C=C1)C(=O)O)OC)OC","SDTPCRDDXQVACT-UHFFFAOYSA-N","363251",NA,"PDBC12259","627999","Present"
-"2,3,7,8-Tetrachlorodibenzo-P-dioxin","","","","","","","","","","","","","","","","","","","","2,3,7,8-TCDD","","C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl","HGUFODBRKLSHSI-UHFFFAOYSA-N","15625",NA,"PDBC12260","767477","Present"
-"2,3,7-Trichloro-10H-phenothiazine-1,4-dione","","","","","","","","","","","","","","","","","","","","2,3,7-Trichloro-10H-phenothiazine-1,4-dione","","C1=CC2=C(C=C1Cl)SC3=C(N2)C(=O)C(=C(C3=O)Cl)Cl","HYUMDPDNCXJVQD-UHFFFAOYSA-N","328364",NA,"PDBC12261","306736","Present"
-"2,3,8,9,10,11-Hexahydro[1]benzothieno[3,2-e]imidazo[1,2-c]pyrimidine","","","","","","","","","","","","","","","","","","","","10-Thia-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene","","C1CCC2=C(C1)C3=C(S2)N=CN4C3=NCC4","IAMFUBHYGGVHLJ-UHFFFAOYSA-N","386695",NA,"PDBC12262","679225","Present"
-"2,3,8,9,14,15,20,21,25,26,27,28-Dodecathiapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene","","","","","","","","","","","","","","","","","","","","2,3,8,9,14,15,20,21,25,26,27,28-Dodecathiapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene","","C1=C2SC(=C1)SSC3=CC=C(S3)SSC4=CC=C(S4)SSC5=CC=C(S5)SS2","RYUWLBGMUGBRGK-UHFFFAOYSA-N","396835",NA,"PDBC12263","703849","Present"
-"2,3,8,9-Tetramethoxy-5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene","","","","","","","","","","","","","","","","","","","","6,7,14,15-Tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene","","COC1=C(C=C2CCC3=CC(=C(C=C3CCC2=C1)OC)OC)OC","RKVGKURQFXVJQO-UHFFFAOYSA-N","390044",NA,"PDBC12264","686958","Present"
-"2,3,8,9-Tetramethoxydibenzo[a,e]cycloocten-5(6H)-one","","","","","","","","","","","","","","","","","","","","(10Z)-6,7,14,15-Tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaen-2-one","","COC1=C(C=C2C=CC3=CC(=C(C=C3C(=O)CC2=C1)OC)OC)OC","QOZMAWTZZQSRHW-WAYWQWQTSA-N","5469351",NA,"PDBC12265","686956","Present"
-"2,3,8,9-Tetramethoxydibenzo[a,e]cycloocten-5(6H)-one oxime","","","","","","","","","","","","","","","","","","","","(NE)-N-[(10Z)-6,7,14,15-tetramethoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenylidene]hydroxylamine","","COC1=C(C=C2C=CC3=CC(=C(C=C3C(=NO)CC2=C1)OC)OC)OC","AZWBOKQODFMQQM-GTQDDMLFSA-N","9571640",NA,"PDBC12266","693414","Present"
-"2,3,8-Trimethoxy-4-methylidene-6-nitrocarbazol-1-ol","","","","","","","","","","","","","","","","","","","","2,3,8-Trimethoxy-4-methylidene-6-nitrocarbazol-1-ol","","COC1=CC(=CC2=C3C(=C)C(=C(C(=C3N=C12)O)OC)OC)[N+](=O)[O-]","RYYZFMGVMDSVNL-UHFFFAOYSA-N","396969",NA,"PDBC12267","704206","Present"
-"2,3,8-Trimethoxy-5-methylbenzo[c]phenanthridin-5-ium;iodide","","","","","","","","","","","","","","","","","","","","N-Methyl-2,3,8-trimethoxybenzo[c]phenanthridinium iodide","","C[N+]1=C2C(=C3C=CC(=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.[I-]","AEVHEVMUTMXZGN-UHFFFAOYSA-M","387182",NA,"PDBC12268","680718","Present"
-"2,3,8-Trimethoxybenzo(c)phenanthridine","","","","","","","","","","","","","","","","","","","","2,3,8-Trimethoxybenzo[c]phenanthridine","","COC1=CC2=CN=C3C(=C2C=C1)C=CC4=CC(=C(C=C43)OC)OC","ODTIETJGJCIYGE-UHFFFAOYSA-N","387178",NA,"PDBC12269","680714","Present"
-"2,3,8-Tris(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","2,3,8-Tris(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazine","","C1=CC=C(C=C1)C2=CN3C(=C(N=C3C(=N2)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","OFKVMUKOYFCWBU-UHFFFAOYSA-N","45027993",NA,"PDBC12270","740501","Present"
-"2,3,9,10-Tetramethoxy-12-phenyl-7,12-dihydro-5H-6,12-methanodibenz[c,f]azocine","","","","","","","","","","","","","","","","","","","","4,5,13,14-Tetramethoxy-1-phenyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene","","COC1=C(C=C2C(=C1)CN3CC4=CC(=C(C=C4C2(C3)C5=CC=CC=C5)OC)OC)OC","GPAVWIODZIREBM-UHFFFAOYSA-N","402884",NA,"PDBC12271","717191","Present"
-"2,3,9,10-Tetramethoxy-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6,12,12a-Tetrahydro-2,3,9,10-tetramethoxyindolo[2,1-a]...","","COC1=C(C=C2C3CC4=CC(=C(C=C4N3CCC2=C1)OC)OC)OC","HSVWVJHFMUWLHL-UHFFFAOYSA-N","366737",NA,"PDBC12272","635459","Present"
-"2,3,9,10-Tetramethoxy-5,6-dihydroindolo[2,1-a]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-2,3,9,10-tetramethoxyindolo[2,1-a]isoquinoline","","COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC","INMRGFQENBQMLA-UHFFFAOYSA-N","366738",NA,"PDBC12273","635460","Present"
-"2,3,9,10-Tetramethoxy-5,7,12,13-tetrahydrobenzo[d][1]benzazonin-6-one","","","","","","","","","","","","","","","","","","","","2,3,9,10-Tetramethoxy-5,7,12,13-tetrahydrobenzo[d][1]benzazonin-6-one","","COC1=C(C=C2CC(=O)NC3=CC(=C(C=C3CCC2=C1)OC)OC)OC","RGFSBKYKDHQRKD-UHFFFAOYSA-N","362868",NA,"PDBC12274","627274","Present"
-"2,3,9,10-Tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-8-carbonitrile","","","","","","","","","","","","","","","","","","","","2,3,9,10-Tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-8-carbonitrile","","COC1=C(C2=C(C=C1)C=C3C4=CC(=C(C=C4CCN3C2C#N)OC)OC)OC","RXUHTKZJTZPOFK-UHFFFAOYSA-N","397863",NA,"PDBC12275","706486","Present"
-"2,3,9,10-Tetramethoxyindolo[2,1-a]isoquinoline","","","","","","","","","","","","","","","","","","","","2,3,9,10-Tetramethoxyindolo[2,1-a]isoquinoline","","COC1=C(C=C2C(=C1)C=CN3C2=CC4=CC(=C(C=C43)OC)OC)OC","XNRNTISMBNPOTJ-UHFFFAOYSA-N","366739",NA,"PDBC12276","635461","Present"
-"2,3,9-Trimethoxy-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6,12,12a-Tetrahydro-2,3,9-trimethoxyindolo[2,1-a] isoq...","","COC1=CC2=C(CC3N2CCC4=CC(=C(C=C34)OC)OC)C=C1","AAFHVEXHFUEGIX-UHFFFAOYSA-N","366190",NA,"PDBC12277","634517","Present"
-"2,3,9-Trimethoxy-5,6-dihydrobenzimidazo[2,1-a]isoquinoline","","","","","","","","","","","","","","","","","","","","2,3,9-Trimethoxy-5,6-dihydrobenzimidazo[2,1-a]isoquinoline","","COC1=CC2=C(C=C1)N=C3N2CCC4=CC(=C(C=C43)OC)OC","BENWOACKZLTENV-UHFFFAOYSA-N","401241",NA,"PDBC12278","714448","Present"
-"2,3,9-Trimethoxyindolo[2,1-a]isoquinoline","","","","","","","","","","","","","","","","","","","","2,3,9-Trimethoxyindolo [2,1-a]isoquinoline","","COC1=CC2=C(C=C1)C=C3N2C=CC4=CC(=C(C=C43)OC)OC","XGZUXDLZTSHJML-UHFFFAOYSA-N","366192",NA,"PDBC12279","634519","Present"
-"2,3-(Methylenedioxy)-8,9-dimethoxy-N-[2-(dimethylamino)ethyl]benzo[c]phenanthridin-6-amine","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-N',N'-dimethylethane-1,2-diamine","","CN(C)CCNC1=NC2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C51)OC)OC","YHXBBAZZCMYSLT-UHFFFAOYSA-N","381592",NA,"PDBC12280","668383","Present"
-"2,3-Bis((2,4-dichlorophenyl)diazenyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2,3-Bis((2,4-dichlorophenyl)diazenyl)quinoxaline","","C1=CC=C2C(=C1)N=C(C(=N2)N=NC3=C(C=C(C=C3)Cl)Cl)N=NC4=C(C=C(C=C4)Cl)Cl","ZKUBKMHWDIWXSW-UHFFFAOYSA-N","368638",NA,"PDBC12281","639751","Present"
-"2,3-Bis(1,4-dimethoxy-2-naphthyl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2,3-Bis(1,4-dimethoxy-2-naphthyl)naphthalene-1,4-dione","","COC1=CC(=C(C2=CC=CC=C21)OC)C3=C(C(=O)C4=CC=CC=C4C3=O)C5=C(C6=CC=CC=C6C(=C5)OC)OC","MZUZDEWSUNVOOB-UHFFFAOYSA-N","394548",NA,"PDBC12282","698093","Present"
-"2,3-Bis(2-chloroprop-2-enyl)-1,4-dihydroxyanthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","2,3-Bis(2-chloroprop-2-en-1-yl)-1,4-dihydroxyanthracene-9,10-dione","","C=C(CC1=C(C(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O)CC(=C)Cl)Cl","XDWDKXBCZZRODX-UHFFFAOYSA-N","374057",NA,"PDBC12283","651313","Present"
-"2,3-Bis(2-pyridyl)quinoxalin-6-amine","","","","","","","","","","","","","","","","","","","","2,3-Dipyridin-2-ylquinoxalin-6-amine","","C1=CC=NC(=C1)C2=NC3=C(C=C(C=C3)N)N=C2C4=CC=CC=N4","SWDUDKWZCXZRML-UHFFFAOYSA-N","393976",NA,"PDBC12284","697063","Present"
-"2,3-Bis(2-pyridyl)quinoxaline-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","TCMDC-123820","","C1=CC=NC(=C1)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=N4","VRFWYLDPDZEWMT-UHFFFAOYSA-N","394188",NA,"PDBC12285","697457","Present"
-"2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol","","CC1=CC(=NN1C2=C(C=CC(=C2N3C(=CC(=N3)C)C)O)O)C","GXEOMTLNPFCXRA-UHFFFAOYSA-N","371594",NA,"PDBC12286","645988","Present"
-"2,3-Bis(3,6-dioxocyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone","","","","","","","","","","","","","","","","","","","","2,3-Bis(3,6-dioxocyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone","","CC1=C(C(=O)C(=C(C1=O)C2=CC(=O)C=CC2=O)C3=CC(=O)C=CC3=O)C","XGMCXKNPJKEQOG-UHFFFAOYSA-N","394544",NA,"PDBC12287","698089","Present"
-"2,3-Bis(3-indolylmethyl)indole","","","","","","","","","","","","","","","","","","","","Bisimi","","C1=CC=C2C(=C1)C(=CN2)CC3=C(NC4=CC=CC=C43)CC5=CNC6=CC=CC=C65","MJHVZTDHBWQIMN-UHFFFAOYSA-N","132142",NA,"PDBC12288","708487","Present"
-"2,3-Bis(4,5-dimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)naphthoquinone","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 2,3-bis(4,5-dimethyl-3,6-dioxo-1,4...","","CC1=C(C(=O)C(=CC1=O)C2=C(C(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C(=C(C4=O)C)C)C","UJITXAYUOHCCBY-UHFFFAOYSA-N","394547",NA,"PDBC12289","698092","Present"
-"2,3-Bis(4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone","","","","","","","","","","","","","","","","","","","","2,3-Bis(4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone","","CC1=C(C(=O)C(=CC1=O)C2=C(C(=O)C(=C(C2=O)C)C)C3=CC(=O)C(=C(C3=O)C)C)C","PNHCYDDDFFGQKW-UHFFFAOYSA-N","394545",NA,"PDBC12290","698090","Present"
-"2,3-Bis(4-(2-(diethylamino)ethoxy)phenyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","2,3-Bis(4-(2-(diethylamino)ethoxy)phenyl)acrylonitrile","","CCN(CC)CCOC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)OCCN(CC)CC","IXALFAKDQLWUOL-NJNXFGOHSA-N","5466693",NA,"PDBC12291","641161","Present"
-"2,3-Bis(4-chlorophenyl)-1-methylpropylamine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC23030","","CC(C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)N.Cl","KHKARPYRYIPKRD-UHFFFAOYSA-N","22270427",NA,"PDBC12292","23030","Present"
-"2,3-Bis(4-chlorophenyl)-6,8-diphenylimidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","2,3-Bis(4-chlorophenyl)-6,8-diphenylimidazo[1,2-a]pyrazine","","C1=CC=C(C=C1)C2=CN3C(=C(N=C3C(=N2)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","SUCXMXWRBPHKIG-UHFFFAOYSA-N","45027990",NA,"PDBC12293","740498","Present"
-"2,3-Bis(4-chlorophenyl)[1,2,4]triazolo[1,5-b][1,2,4]benzothiadiazepin-10(3H)-one","","","","","","","","","","","","","","","","","","","","1,2-Bis(4-chlorophenyl)-[1,2,4]triazolo[1,5-b][1,2,4]benzothiadiazepin-5-one","","C1=CC=C2C(=C1)C(=O)N=C3N=C(N(N3S2)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","ZHBHYEIKYATPHA-UHFFFAOYSA-N","369306",NA,"PDBC12294","641060","Present"
-"2,3-Bis(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","2,3-Bis(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole","","COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OC","BAAVUEUCQDKHRP-UHFFFAOYSA-N","390236",NA,"PDBC12295","687528","Present"
-"2,3-Bis(4-methoxyphenyl)-6,8-diphenylimidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","2,3-Bis(4-methoxyphenyl)-6,8-diphenylimidazo[1,2-a]pyrazine","","COC1=CC=C(C=C1)C2=C(N3C=C(N=C(C3=N2)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)OC","FLJWCCOGFGYAIQ-UHFFFAOYSA-N","45027989",NA,"PDBC12296","740497","Present"
-"2,3-Bis(dodecanoyloxy)propylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-655901","","CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC","JUPMJZZCIZTCGB-UHFFFAOYSA-N","375754",NA,"PDBC12297","655901","Present"
-"2,3-Bis(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate","","","","","","","","","","","","","","","","","","","","sn-3-dihexadecyl-phosphatidylcholine","","CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC","MWTIGLPPQBNUFP-UHFFFAOYSA-N","118294",NA,"PDBC12298","606171","Present"
-"2,3-Bis(hydroxyamino)-2,3-dimethylsuccinonitrile","","","","","","","","","","","","","","","","","","","","2,3-Bis(hydroxyamino)-2,3-dimethylbutanedinitrile","","CC(C#N)(C(C)(C#N)NO)NO","SUUMKLNUDQNQQK-UHFFFAOYSA-N","392322",NA,"PDBC12299","692598","Present"
-"2,3-Bis(iodomethyl)-6-methoxyquinoxaline","","","","","","","","","","","","","","","","","","","","Quinoxaline, 2,3-bis(iodomethyl)-6-methoxy-","","COC1=CC2=C(C=C1)N=C(C(=N2)CI)CI","LILYPRLZBGZTJF-UHFFFAOYSA-N","286257",NA,"PDBC12300","144173","Present"
-"2,3-Bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2,3-Bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione","","C1=CC=C2C=C(C=CC2=C1)SC3=C(C(=O)C4=CC=CC=C4C3=O)SC5=CC6=CC=CC=C6C=C5","KPICMJZBYHEMQM-UHFFFAOYSA-N","312602",NA,"PDBC12301","222722","Present"
-"2,3-Bis(octanoyloxy)propylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-655902","","CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC","NZFFRCIIGLCQFO-UHFFFAOYSA-N","375755",NA,"PDBC12302","655902","Present"
-"2,3-Bis(p-methoxyphenyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","29D9UWI50A","","COC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)OC","GGSJIARERFIGST-RVDMUPIBSA-N","5716814",NA,"PDBC12303","23416","Present"
-"2,3-Bis(stearoyloxy)propylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642929","","CCCCCCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC","JNXVWTJGZLETLE-UHFFFAOYSA-N","370188",NA,"PDBC12304","642929","Present"
-"2,3-Bis(tetradecanoyloxy)propylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642927","","CCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCC","BTPLMEPOLVRPOI-UHFFFAOYSA-N","370186",NA,"PDBC12305","642927","Present"
-"2,3-Bis(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-2-ol","","","","","","","","","","","","","","","","","","","","2,3-Bis(trifluoromethyl)-5,6-dihydro-1,4-oxazin-2-ol","","C1COC(C(=N1)C(F)(F)F)(C(F)(F)F)O","SMFZFARVMLAUFM-UHFFFAOYSA-N","398186",NA,"PDBC12306","707781","Present"
-"2,3-Bis-(2-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","2,3-Bis-(2-chlorophenyl)-5-hydroxymethyltetrahydrofuran-...","","C1C(OC(C1(C2=CC=CC=C2Cl)O)C3=CC=CC=C3Cl)CO","SCAKDJFKHIJTNR-LQAWEQHXSA-N","44424015",NA,"PDBC12307","743320","Present"
-"2,3-Bis-(2-phenoxyethoxy)-[1,4]naphthoquinone, 2,3-Bis-(2-phenoxyethoxy)-naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2,3-Bis-(2-phenoxyethoxy)-[1,4]naphthoquinone, 2,3-Bis-(...","","C1=CC=C(C=C1)OCCOC2=C(C(=O)C3=CC=CC=C3C2=O)OCCOC4=CC=CC=C4","AUIOMHWZHBVTPA-UHFFFAOYSA-N","60147839",NA,"PDBC12308","752642","Present"
-"2,3-Bis-(4-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","2,3-Bis-(4-chlorophenyl)-5-hydroxymethyltetrahydrofuran-...","","C1C(OC(C1(C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)Cl)CO","XXJIUIJJTWMURB-ZACQAIPSSA-N","16730269",NA,"PDBC12309","743319","Present"
-"2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-...","","C1C(OC(C1(C2=CC=C(C=C2)F)O)C3=CC=C(C=C3)F)CO","PKQIINYYWQVQMM-ZACQAIPSSA-N","42609841",NA,"PDBC12310","743321","Present"
-"2,3-Bis[(3,4-diacetoxycinnamoyl)amino]propanoic acid","","","","","","","","","","","","","","","","","","","","2,3-Bis[(3,4-diacetoxycinnamoyl)amino]propanoic acid","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","OGYFOUPGPIQYNE-MKICQXMISA-N","5470547",NA,"PDBC12311","702990","Present"
-"2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]propanoic acid","","","","","","","","","","","","","","","","","","","","2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]propanoic acid","","C1=CC(=C(C=C1C=CC(=O)OCC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","YEQHQUIPLHIYJE-FCXRPNKRSA-N","5470546",NA,"PDBC12312","702989","Present"
-"2,3-Bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid","","","","","","","","","","","","","","","","","","","","2,3-Bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid","","COC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)OC","BRBMUUZATYIVGN-MKICQXMISA-N","5470542",NA,"PDBC12313","702985","Present"
-"2,3-Butanedione, bis(thiosemicarbazone)","","","","","","","","","","","","","","","","","","","","2,3-Butanedione, bis(thiosemicarbazone)","","CC(=NNC(=S)N)C(=NNC(=S)N)C","AFKZAGKQOZCAIZ-INWPEIIHSA-N","16046234",NA,"PDBC12314","69405","Present"
-"2,3-Dehydrosarcovagine D","","","","","","","","","","","","","","","","","","","","2,3-Dehydrosarcovagine D","","CC=C(C)C(=O)NC1=CCC2(C3CCC4(C(C3CC=C2C1=O)CCC4C(C)N(C)C)C)C","ONOCTNWHGZQBIB-ZQPNADEUSA-N","54612860",NA,"PDBC12315","748913","Present"
-"2,3-Dehydrosilybin","","","","","","","","","","","","","","","","","","","","quercetin 3',4'-coniferyl","","COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O","BVKQRAYKLBRNIK-UHFFFAOYSA-N","5467200",NA,"PDBC12316","648334","Present"
-"2,3-Di(1H-pyrazol-1-yl)-1,4-benzenediol","","","","","","","","","","","","","","","","","","","","2,3-Di(1H-pyrazol-1-yl)-1,4-benzenediol","","C1=CN(N=C1)C2=C(C=CC(=C2N3C=CC=N3)O)O","LPZCYKKJSCUPHC-UHFFFAOYSA-N","371595",NA,"PDBC12317","645989","Present"
-"2,3-Di-tert-butoxy-4-(4-chlorophenyl)-4-hydroxy-2-cyclobuten-1-one","","","","","","","","","","","","","","","","","","","","2,3-Di-tert-butoxy-4-(4-chlorophenyl)-4-hydroxy-2-cyclobuten-1-one","","CC(C)(C)OC1=C(C(C1=O)(C2=CC=C(C=C2)Cl)O)OC(C)(C)C","DRQRSQXUHGJHSH-UHFFFAOYSA-N","362165",NA,"PDBC12318","625743","Present"
-"2,3-Di-tert-butoxy-4-hydroxy-4-phenyl-2-cyclobuten-1-one","","","","","","","","","","","","","","","","","","","","2,3-Di-tert-butoxy-4-hydroxy-4-phenyl-2-cyclobuten-1-one","","CC(C)(C)OC1=C(C(C1=O)(C2=CC=CC=C2)O)OC(C)(C)C","ZWAPHUMOPRVZID-UHFFFAOYSA-N","362166",NA,"PDBC12319","625744","Present"
-"2,3-Diaminosuccinic acid","","","","","","","","","","","","","","","","","","","","C4H8N2O4","","C(C(C(=O)O)N)(C(=O)O)N","PGNYNCTUBKSHHL-UHFFFAOYSA-N","287290",NA,"PDBC12320","146876","Present"
-"2,3-Diazido-phenalen-1-on","","","","","","","","","","","","","","","","","","","","2,3-Diazido-phenalen-1-on","","C1=CC2=C3C(=C1)C(=C(C(=O)C3=CC=C2)N=[N+]=[N-])N=[N+]=[N-]","KEDLJWKZWTZCBJ-UHFFFAOYSA-N","387478",NA,"PDBC12321","681281","Present"
-"2,3-Dibenzoyl-4-thioxo-4H-thieno[3,2-c]thiopyran-6,7-dicarboxylic acid diethyl ester","","","","","","","","","","","","","","","","","","","","diethyl 2,3-dibenzoyl-4-thioxo-4H-thieno[3,2-c]thiopyran...","","CCOC(=O)C1=C(SC(=S)C2=C1SC(=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)OCC","SKBMOBHTDOTMBO-UHFFFAOYSA-N","11376086",NA,"PDBC12322","732990","Present"
-"2,3-Dibenzoyloxy-4-hydroxy-4-oxobutanoate;(2,5-dimethylphenyl)-(4-methylphenyl)-phenylsulfanium","","","","","","","","","","","","","","","","","","","","2,3-Dibenzoyloxy-4-hydroxy-4-oxobutanoate;(2,5-dimethylphenyl)-(4-methylphenyl)-phenylsulfanium","","CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=C(C=CC(=C3)C)C.C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)O","UPAYOWHZAHIRRV-UHFFFAOYSA-M","5351228",NA,"PDBC12323","116693","Present"
-"2,3-Dibromo-1,4-bis(3-cyclohexylprop-1-ynyl)benzene","","","","","","","","","","","","","","","","","","","","2,3-Dibromo-1,4-bis(3-cyclohexylprop-1-ynyl)benzene","","C1CCC(CC1)CC#CC2=C(C(=C(C=C2)C#CCC3CCCCC3)Br)Br","RUPISUHOEMNSSY-UHFFFAOYSA-N","393451",NA,"PDBC12324","695359","Present"
-"2,3-Dibromo-1,4-bis(4,4,4-triphenylbut-1-ynyl)benzene","","","","","","","","","","","","","","","","","","","","2,3-Dibromo-1,4-bis(4,4,4-triphenylbut-1-ynyl)benzene","","C1=CC=C(C=C1)C(CC#CC2=C(C(=C(C=C2)C#CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Br)Br)(C6=CC=CC=C6)C7=CC=CC=C7","KMNSGCVTMFGTFC-UHFFFAOYSA-N","393452",NA,"PDBC12325","695360","Present"
-"2,3-Dibromo-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2,3-Dibromo-1,4-naphthoquinone///1,4-Naphthalenedione, 2,3-diphenyl-","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Br)Br","PSMABVOYZJWFBV-UHFFFAOYSA-N","83259",NA,"PDBC12326","106320///618332","Present"
-"2,3-Dibromo-1-(4-nitrophenyl)-3-quinolin-4-ylpropan-1-one","","","","","","","","","","","","","","","","","","","","2,3-Dibromo-1-(4-(hydroxy(oxido)amino)phenyl)-3-(4-quinolinyl)-1-propanone","","C1=CC=C2C(=C1)C(=CC=N2)C(C(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)Br","OVEVOPGYRGCOMR-UHFFFAOYSA-N","288920",NA,"PDBC12327","150289","Present"
-"2,3-Dibromo-1H-benzo[a]cycloheptene-1,4,7-trione","","","","","","","","","","","","","","","","","","","","2,3-dibromobenzo[7]annulene-1,4,7-trione","","C1=CC2=C(C=CC1=O)C(=O)C(=C(C2=O)Br)Br","MXNJXAAYHKFDPH-UHFFFAOYSA-N","373412",NA,"PDBC12328","649667","Present"
-"2,3-Dibromo-2,3-diphenylcyclopropane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","2,3-Dibromo-2,3-diphenylcyclopropanecarboxylic acid","","C1=CC=C(C=C1)C2(C(C2(C3=CC=CC=C3)Br)C(=O)O)Br","OTXLGBBKQMNCTE-UHFFFAOYSA-N","281957",NA,"PDBC12329","134981","Present"
-"2,3-Dibromo-3-(2-nitrophenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","2,3-Dibromo-3-(2-(hydroxy(oxido)amino)phenyl)propanoic acid","","C1=CC=C(C(=C1)C(C(C(=O)O)Br)Br)[N+](=O)[O-]","ZZBGCCIQPYEBFF-UHFFFAOYSA-N","318492",NA,"PDBC12330","255088","Present"
-"2,3-Dibromo-3-phenylpropanal","","","","","","","","","","","","","","","","","","","","Hydrocinnamaldehyde, .alpha.,.beta.-dibromo-","","C1=CC=C(C=C1)C(C(C=O)Br)Br","DVHARADPZCQQHR-UHFFFAOYSA-N","151715",NA,"PDBC12331","155556","Present"
-"2,3-Dibromo-3-phenylpropanal (5,6-diphenyl-1,2,4-triazin-3-yl)hydrazone","","","","","","","","","","","","","","","","","","","","2,3-Dibromo-3-phenylpropanal (5,6-diphenyl-1,2,4-triazin-3-yl)hydrazone","","C1=CC=C(C=C1)C2=C(N=NC(=N2)NN=CC(C(C3=CC=CC=C3)Br)Br)C4=CC=CC=C4","JRXLDARVHCBKOA-JVWAILMASA-N","5351383",NA,"PDBC12332","640638","Present"
-"2,3-Dibromo-3-phenylpropiophenone","","","","","","","","","","","","","","","","","","","","chalcone dibromide","","C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)Br)Br","LYAGBKGGYRLVTR-UHFFFAOYSA-N","95342",NA,"PDBC12333","2715","Present"
-"2,3-Dibromo-4-(4-methoxyphenyl)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","NSC168656","","COC1=CC=C(C=C1)C(=O)C(C(C(=O)O)Br)Br","ZLMNCWVKKNTEIG-UHFFFAOYSA-N","297496",NA,"PDBC12334","168656","Present"
-"2,3-Dibromo-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","Butanoic acid, 2,3-dibromo-4-[(5-chloro-2-methoxyphenyl)...","","COC1=C(C=C(C=C1)Cl)NC(=O)C(C(C(=O)O)Br)Br","NJKZXOAMAFIPOQ-UHFFFAOYSA-N","307450",NA,"PDBC12335","205555","Present"
-"2,3-Dibromo-5,8-dihydroxynaphthoquinone","","","","","","","","","","","","","","","","","","","","2,3-Dibromo-5,8-dihydroxynaphthoquinone","","C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Br)Br)O","ZSWDMPFPIQBBGF-UHFFFAOYSA-N","438700",NA,"PDBC12336","659288","Present"
-"2,3-Dibromoimidazo[1,2-c]quinazoline","","","","","","","","","","","","","","","","","","","","SDWIJRJJTZRXLT-UHFFFAOYSA-","","C1=CC=C2C(=C1)C3=NC(=C(N3C=N2)Br)Br","SDWIJRJJTZRXLT-UHFFFAOYSA-N","371576",NA,"PDBC12337","645911","Present"
-"2,3-Dibromopropionamide","","","","","","","","","","","","","","","","","","","","Propionamide, 2,3-dibromo-","","C(C(C(=O)N)Br)Br","DZQCMQRQFZXQKN-UHFFFAOYSA-N","85798",NA,"PDBC12338","144295","Present"
-"2,3-Dibromosuccinic acid","","","","","","","","","","","","","","","","","","","","NSC203337","","C(C(C(=O)O)Br)(C(=O)O)Br","FJWGRXKOBIVTFA-UHFFFAOYSA-N","95324",NA,"PDBC12339","203337","Present"
-"2,3-Dichloro-1,3-bis(4-methylphenyl)propan-1-one","","","","","","","","","","","","","","","","","","","","Propan-1-one, 2,3-dichloro-1,3-bis(4-methylphenyl)-","","CC1=CC=C(C=C1)C(C(C(=O)C2=CC=C(C=C2)C)Cl)Cl","VCSMFHVDNSKBFV-UHFFFAOYSA-N","244246",NA,"PDBC12340","54909","Present"
-"2,3-Dichloro-1,3-diphenylpropan-1-one","","","","","","","","","","","","","","","","","","","","NSC24799","","C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)Cl)Cl","JKSKLBKKFIAHAE-UHFFFAOYSA-N","230205",NA,"PDBC12341","24799","Present"
-"2,3-Dichloro-4,6-di(propan-2-yl)phenol;3,6-dichloro-2,4-di(propan-2-yl)phenol","","","","","","","","","","","","","","","","","","","","2,3-Dichloro-4,6-di(propan-2-yl)phenol;3,6-dichloro-2,4-di(propan-2-yl)phenol","","CC(C)C1=CC(=C(C(=C1O)Cl)Cl)C(C)C.CC(C)C1=CC(=C(C(=C1Cl)C(C)C)O)Cl","YWOKSYZIFZFOBT-UHFFFAOYSA-N","247339",NA,"PDBC12342","61772","Present"
-"2,3-Dichloro-4-((3-hydroxy-2-naphthoyl)hydrazono)-2-butenoic acid","","","","","","","","","","","","","","","","","","","","2,3-Dichloro-4-((3-hydroxy-2-naphthoyl)hydrazono)-2-butenoic acid","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC(=C(C(=O)O)Cl)Cl)O","XWFAWFZGTCKBSI-NXEYJXPOSA-N","9569937",NA,"PDBC12343","625817","Present"
-"2,3-Dichloro-4-((hydrazinocarbothioyl)hydrazono)-2-butenoic acid","","","","","","","","","","","","","","","","","","","","(E,4E)-4-(aminocarbamothioylhydrazono)-2,3-dichloro-but-2-enoic acid","","C(=NNC(=S)NN)C(=C(C(=O)O)Cl)Cl","VSPZJSXPAWDVPF-UZZALQNOSA-N","6065255",NA,"PDBC12344","634481","Present"
-"2,3-Dichloro-4-(2,6-diethylanilino)-4-oxo-2-butenoic acid","","","","","","","","","","","","","","","","","","","","2-Butenoic acid, 2,3-dichloro-4-[(2,6-diethylphenyl) ami...","","CCC1=C(C(=CC=C1)CC)NC(=O)C(=C(C(=O)O)Cl)Cl","JDSFJBVJTZVNIT-KHPPLWFESA-N","9948812",NA,"PDBC12345","618605","Present"
-"2,3-Dichloro-4-(3-chloro-2-methylanilino)-4-oxo-2-butenoic acid","","","","","","","","","","","","","","","","","","","","2,3-Dichloro-4-(3-chloro-2-methylanilino)-4-oxo-2-butenoic acid","","CC1=C(C=CC=C1Cl)NC(=O)C(=C(C(=O)O)Cl)Cl","WVGBXGFPZAZJEF-CMDGGOBGSA-N","3003998",NA,"PDBC12346","622344","Present"
-"2,3-Dichloro-4-oxo-4-phenyl-2-butenoic acid","","","","","","","","","","","","","","","","","","","","(E)-2,3-dichloro-4-oxo-4-phenyl-but-2-enoic acid","","C1=CC=C(C=C1)C(=O)C(=C(C(=O)O)Cl)Cl","CYIYSHHZHWARAA-BQYQJAHWSA-N","3004216",NA,"PDBC12347","636377","Present"
-"2,3-Dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol","","","","","","","","","","","","","","","","","","","","2,3-Dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol","","C1CCC2=C(C1)C(=C(C(=C2O)Cl)Cl)O","VLJRBJNOZLTGRU-UHFFFAOYSA-N","320303",NA,"PDBC12348","267319","Present"
-"2,3-Dichloro-5,8-dimethoxy-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","STL323102","","COC1=C2C(=C(C=C1)OC)C(=O)C(=C(C2=O)Cl)Cl","DRGCWMGLVXZPIZ-UHFFFAOYSA-N","375895",NA,"PDBC12349","656208","Present"
-"2,3-Dichloro-5H-isoindolo[2,1-a]quinoxalin-6-one","","","","","","","","","","","","","","","","","","","","7,8-dichloroisoindolo[1,2-a]quinoxalin-4(5H)one","","C1=CC2=CN3C4=CC(=C(C=C4NC(=O)C3=C2C=C1)Cl)Cl","XGYXOXWOFSQIGI-UHFFFAOYSA-N","24205093",NA,"PDBC12350","734238","Present"
-"2,3-Dichloro-6,11-dimethylbenzimidazolo[1,2-b]isoquinoline","","","","","","","","","","","","","","","","","","","","2,3-Dichloro-6,11-dimethylbenzimidazo[1,2-b]isoquinoline","","CC1=C2C=CC=CC2=C(N3C1=NC4=CC(=C(C=C43)Cl)Cl)C","STTZONQMPVMBOV-UHFFFAOYSA-N","379116",NA,"PDBC12351","663330","Present"
-"2,3-Diethoxy-4-(2-methylallyl)-4-trimethylsilyloxy-cyclobut-2-en-1-one","","","","","","","","","","","","","","","","","","","","2,3-Diethoxy-4-(2-methylallyl)-4-trimethylsilyloxy-cyclobut-2-en-1-one","","CCOC1=C(C(C1=O)(CC(=C)C)O[Si](C)(C)C)OCC","NPXKTDFAPVSBIK-UHFFFAOYSA-N","394536",NA,"PDBC12352","698081","Present"
-"2,3-Diethoxy-4-hydroxy-4-(2-methylallyl)cyclobut-2-en-1-one","","","","","","","","","","","","","","","","","","","","2,3-Diethoxy-4-hydroxy-4-(2-methylallyl)cyclobut-2-en-1-one","","CCOC1=C(C(C1=O)(CC(=C)C)O)OCC","DQMLICZMJHGUNR-UHFFFAOYSA-N","394535",NA,"PDBC12353","698080","Present"
-"2,3-Diethoxy-8,9-dimethoxybenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","2,3-Diethoxy-8,9-dimethoxybenzo[c]phenanthridine","","CCOC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC)OC)OCC","HVAYLLRCKOVVQS-UHFFFAOYSA-N","371230",NA,"PDBC12354","645288","Present"
-"2,3-Diethyl-1-nitro-2-cyclopropene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2,3-Diethyl-1-nitrocycloprop-2-ene-1-carbonitrile","","CCC1=C(C1(C#N)[N+](=O)[O-])CC","HTXHPVQMNZWKJS-UHFFFAOYSA-N","371609",NA,"PDBC12355","646001","Present"
-"2,3-Difluoro-4,7-methano-5,6-dihydrobenzo(b)thiophene","","","","","","","","","","","","","","","","","","","","difluoro[?]","","C1CC2CC1C3=C2SC(=C3F)F","AZGCQKXBHQVHFX-UHFFFAOYSA-N","379830",NA,"PDBC12356","664961","Present"
-"2,3-Dihydro-(3R)-(2'-hydroxypropylthio)brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-(3R)-(2'-hydroxypropylthio)brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCC(C)O)O)O","JSZMATWNNJCEPE-OWERZMKTSA-N","10926821",NA,"PDBC12357","708231","Present"
-"2,3-Dihydro-(3R)-(3'-hydroxypropylthio)brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-(3R)-(3'-hydroxypropylthio)brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCCCO)O)O","OCLUEPVAZDCMEC-CQCRGSGBSA-N","11014175",NA,"PDBC12358","708230","Present"
-"2,3-Dihydro-(3R)-(4'-hydroxybutylthio)brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-(3R)-(4'-hydroxybutylthio)brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCCCCO)O)O","NZGUMCZAKJOCSW-CNOYATMTSA-N","24202600",NA,"PDBC12359","708471","Present"
-"2,3-Dihydro-(3R)-(4'-methoxybenzylthio)brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-(3R)-(4'-methoxybenzylthio)brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCC3=CC=C(C=C3)OC)O)O","ZRNAFRGYJDHEFT-DADGVEKRSA-N","10917077",NA,"PDBC12360","710071","Present"
-"2,3-Dihydro-(3R)-[2'-methylbenzoatethio]brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-(3R)-[2'-methylbenzoatethio]brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SC3=CC=CC=C3C(=O)OC)O)O","BTPZWKMKNMOYLO-RSJWERRTSA-N","11733052",NA,"PDBC12361","706713","Present"
-"2,3-Dihydro-(3R)-[2-(diethylphosphono)ethylseleno]brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-(3R)-[2-(diethylphosphono)ethylseleno]brefel...","","CCOP(=O)(CC[Se]C1CC(=O)OC(CCCC=CC2CC(CC2C1O)O)C)OCC","SVODLVHGASURPP-UGIPEQGYSA-N","11016831",NA,"PDBC12362","704066","Present"
-"2,3-Dihydro-1,4-benzodioxin-2-ylacetonitrile","","","","","","","","","","","","","","","","","","","","STK975547","","C1C(OC2=CC=CC=C2O1)CC#N","PWZFEIJALHLRKF-UHFFFAOYSA-N","267531",NA,"PDBC12363","106870","Present"
-"2,3-Dihydro-1,4-benzodioxin-2-ylmethyl thiocyanate","","","","","","","","","","","","","","","","","","","","LS-152630","","C1C(OC2=CC=CC=C2O1)CSC#N","NIUTUCCPFPTZNP-UHFFFAOYSA-N","379213",NA,"PDBC12364","663627","Present"
-"2,3-Dihydro-1-oxo-3-thioxo-7-(methylthio)-5-amino-2-phenyl-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1-oxo-3-thioxo-7-(methylthio)-5-amino-2-phenyl-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile","","CSC1=C2C(=O)N(C(=S)N2C(=C1C#N)N)C3=CC=CC=C3","INOPZBLKHPBQJQ-UHFFFAOYSA-N","384284",NA,"PDBC12365","673842","Present"
-"2,3-Dihydro-1H-benzotriazole; trichlorogallane","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1H-benzotriazole; trichlorogallane","","","","",NA,"PDBC12366","630050","Present"
-"2,3-Dihydro-1H-cyclopenta[b]quinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1H-cyclopenta[b]quinoline-5,8-dione","","C1CC2=CC3=C(C(=O)C=CC3=O)N=C2C1","WNHAZUDVKNNWHG-UHFFFAOYSA-N","365559",NA,"PDBC12367","633320","Present"
-"2,3-Dihydro-1H-imidazo[1,2-b]pyrazole","","","","","","","","","","","","","","","","","","","","Pyrazoloimidazole","","C1CN2C(=CC=N2)N1","KPMVHELZNRNSMN-UHFFFAOYSA-N","242471",NA,"PDBC12368","51143","Present"
-"2,3-Dihydro-1H-imidazo[1,5-a]benzimidazole","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1H-imidazo[1,5-a]benzimidazole","","C1C2=NC3=CC=CC=C3N2CN1","LLPGMVUUHGKXBJ-UHFFFAOYSA-N","395899",NA,"PDBC12369","700994","Present"
-"2,3-Dihydro-1H-imidazo[2',1':2,3]pyrimido[5,4-b][1,4]thiazin-5(6H)-one","","","","","","","","","","","","","","","","","","","","10-Thia-2,5,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one","","C1CSC2=C(N1)N3C=CN=C3NC2=O","ZBLFBKFFUTWTGR-UHFFFAOYSA-N","385099",NA,"PDBC12370","676034","Present"
-"2,3-Dihydro-1H-inden-5-ol;ethanol;6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one;titanium","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1H-inden-5-ol;ethanol;6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one;titanium","","CCO.CC1(OC(=CC(=O)O1)O)C.CC1(OC(=CC(=O)O1)O)C.C1CC2=C(C1)C=C(C=C2)O.[Ti]","CKABGUQVIIVSNN-UHFFFAOYSA-N","368303",NA,"PDBC12371","638849","Present"
-"2,3-Dihydro-1H-indol-3-yl(2-pyridinyl)methanol","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-1H-indol-3-yl(2-pyridinyl)methanol","","C1C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)O","AJRCAMUFWULHQV-UHFFFAOYSA-N","364133",NA,"PDBC12372","629804","Present"
-"2,3-Dihydro-2-(3-methoxyphenyl)-6-pyrrolizinoquinolin-4(1H)-one","","","","","","","","","","","","","","","","","","","","4(1H)-Quinolinone, 2,3-dihydro-2-(3-methoxyphenyl)-6-(1-...","","COC1=CC=CC(=C1)C2CC(=O)C3=C(N2)C=CC(=C3)N4CCCC4","UZLQYIIQUWXCBD-UHFFFAOYSA-N","395562",NA,"PDBC12373","700268","Present"
-"2,3-Dihydro-2-piperidino-5-(4-chlorophenyl)-4-(methylthio)-3-(4-nitrophenyl)thiazole","","","","","","","","","","","","","","","","","","","","1-[5-(4-Chlorophenyl)-4-(methylsulfanyl)-3-(4-nitrophenyl)-2,3-dihydro-1,3-thiazol-2-yl]piperidine","","CSC1=C(SC(N1C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3)C4=CC=C(C=C4)Cl","CPYDMUGQZURODB-UHFFFAOYSA-N","382388",NA,"PDBC12374","669946","Present"
-"2,3-Dihydro-3(R)-[4'hydroxyphenylsulfinyl]brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-3(R)-[4'hydroxyphenylsulfinyl]brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)C3=CC=C(C=C3)O)O)O","CWDPXIRMHATEAZ-BOKOGIDUSA-N","9866928",NA,"PDBC12375","692303","Present"
-"2,3-Dihydro-3(R)-[S-(L)-cysteinyl-]-brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-3(R)-[S-(L)-cysteinyl-]-brefeldin A","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCC(C(=O)O)N)O)O","UTLVQKPJUSBZSP-UYPORCOCSA-N","24202569",NA,"PDBC12376","691433","Present"
-"2,3-Dihydro-3-(2-hydroxyphenyl)-6-chloro-7-methyl-1,4,2-benzodithiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6-chloro-3-(2-hydroxyphenyl)-7-methyl-2,3-dihydro-1,4,2-...","","CC1=CC2=C(C=C1Cl)SC(NS2(=O)=O)C3=CC=CC=C3O","WTXOLHNCRJWRKM-UHFFFAOYSA-N","405695",NA,"PDBC12377","723148","Present"
-"2,3-Dihydro-5H-[1,3]thiazolo[2,3-c][1,4]benzothiazepine-5,11(11aH)-dione","","","","","","","","","","","","","","","","","","","","2,3a-Dihydro-1H-[1,3]thiazolo[2,3-c][1,4]benzothiazepine-4,10-dione","","C1CSC2N1C(=O)C3=CC=CC=C3SC2=O","JIKWDFHASJKQLV-UHFFFAOYSA-N","375392",NA,"PDBC12378","655064","Present"
-"2,3-Dihydro-6-(aziridin-1-yl)-7-methoxy-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione","","","","","","","","","","","","","","","","","","","","6-(Aziridin-1-yl)-7-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione","","COC1=C(C(=O)C2=C(C1=O)N3CCCC3=N2)N4CC4","GWZWHLZMISGGFG-UHFFFAOYSA-N","383842",NA,"PDBC12379","672472","Present"
-"2,3-Dihydro-7,9,11,11b-tetraaza-11bH-benzo[de]anthracene-8,10(1H,9H)-dione","","","","","","","","","","","","","","","","","","","","1,3,5,8-Tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,7,9,11,13(17)-pentaene-4,6-dione","","C1CC2=C3C(=CC=C2)N=C4C(=O)NC(=O)N=C4N3C1","OQJAPRAMRPMGOB-UHFFFAOYSA-N","397202",NA,"PDBC12380","704611","Present"
-"2,3-Dihydro[1,4]thiazepino[3,2-c]quinolin-4(5H)-one","","","","","","","","","","","","","","","","","","","","2,3-Dihydro[1,4]thiazepino[3,2-c]quinolin-4(5H)-one","","C1CSC2=C(C=NC3=CC=CC=C32)NC1=O","UOAWWYFXRUDIHW-UHFFFAOYSA-N","380505",NA,"PDBC12381","666120","Present"
-"2,3-Dihydroimidazo[1,2-f]phenanthridine","","","","","","","","","","","","","","","","","","","","Imidazo[1,2-f]phenanthridine, 2,3-dihydro-","","C1CN2C3=CC=CC=C3C4=CC=CC=C4C2=N1","BOXYVDQJGZULRA-UHFFFAOYSA-N","285026",NA,"PDBC12382","141590","Present"
-"2,3-Dihydronimbolide","","","","","","","","","","","","","","","","","","","","2,3-dihydronimbolide","","CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(CCC5=O)C)C)CC(=O)OC)C","IVORRUXZODBSHC-VDNSKRJHSA-N","397876",NA,"PDBC12383","706728","Present"
-"2,3-Dihydrospiro[benzo[g]quinoline-4(1H),1'-[2,5]cyclohexadiene]-4',5,10-trione","","","","","","","","","","","","","","","","","","","","Spiro[2,3-dihydro-1H-benzo[g]quinoline-4,4'-cyclohexa-2,5-diene]-1',5,10-trione","","C1CNC2=C(C13C=CC(=O)C=C3)C(=O)C4=CC=CC=C4C2=O","HTYZHZNPXZQWFM-UHFFFAOYSA-N","372977",NA,"PDBC12384","648765","Present"
-"2,3-Dihydrothiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one","","","","","","","","","","","","","","","","","","","","1,2,9,10-Tetrahydrothiazolo[2,3:2',3']pyrimido[6,5-b}ind...","","C1CSC2=NC3=C(C(=O)N21)NC4=CC=CC=C43","XYQBMRGFRLJNLH-UHFFFAOYSA-N","1508416",NA,"PDBC12385","734973","Present"
-"2,3-Dihydrothieno[3,2-d]thiopyrano[3,2-b]thiopyran-4(6H)-one","","","","","","","","","","","","","","","","","","","","5,9-Bisthia-6-oxo-4,5,6,7,8,9-hexahydronaphtho[2,1-b] th...","","C1CSC2=C(C1=O)SCC3=C2C=CS3","WUNITTBRRFZPKP-UHFFFAOYSA-N","360916",NA,"PDBC12386","623631","Present"
-"2,3-Dihydrotriazolo[4,5-d]pyrimidine-5-thione","","","","","","","","","","","","","","","","","","","","5-Thiol-1H-v-triazolo[d]pyrimidine","","C1=NC(=S)NC2=NNN=C21","JQLSOZRMETYVMM-UHFFFAOYSA-N","135440017",NA,"PDBC12387","675585","Present"
-"2,3-Dihydroxy-3-(3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-8,14,26,31-tetraoxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21(30),22,24(29),33-undecaen-10-yl)propanal","","","","","","","","","","","","","","","","","","","","2,3-Dihydroxy-3-(3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-8,14,26,31-tetraoxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21(30),22,24(","","C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5C3C(=O)OC6=C5C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C6O)O)C(=O)O4)O)O)O)O)O)C(C(C=O)O)O)O","YQAXMIOJERFOAV-UHFFFAOYSA-N","54680442",NA,"PDBC12388","676824","Present"
-"2,3-Dihydroxy-N-[2-[(4-methylphenyl)sulfonyl-(1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)amino]ethyl]benzamide","","","","","","","","","","","","","","","","","","","","2,3-Dihydroxy-N-[2-[(4-methylphenyl)sulfonyl-(1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)amino]ethyl]benzamide","","CC1=CC=C(C=C1)S(=O)(=O)N(CCNC(=O)C2=C(C(=CC=C2)O)O)C3=CC4=C5C(=C3)OC6=CC=CC7=C6C5(C8=C(O7)C=CC=C8O4)C","HLYGEERGAYZBBH-UHFFFAOYSA-N","393367",NA,"PDBC12389","695175","Present"
-"2,3-Dihydroxy-brefeldin A","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-2,3-dihydroxy-brefeldin A","","CC1CCCC=CC2CC(CC2C(C(C(C(=O)O1)O)O)O)O","ZACUXJNBMSDSMR-LQZAQQFOSA-N","10757635",NA,"PDBC12390","694610","Present"
-"2,3-Dihydroxypropyl dodecanoate","","","","","","","","","","","","","","","","","","","","lauricidin","","CCCCCCCCCCCC(=O)OCC(CO)O","ARIWANIATODDMH-UHFFFAOYSA-N","14871",NA,"PDBC12391","698570","Present"
-"2,3-Dihydroxypropylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642926","","C(C(C[As](=O)(O)O)O)O","APPBGVNZOXYIAD-UHFFFAOYSA-N","370185",NA,"PDBC12392","642926","Present"
-"2,3-Dihydroxysuccinohydrazide","","","","","","","","","","","","","","","","","","","","NSC57884","","C(C(C(=O)NN)O)(C(=O)NN)O","MDJZGXRFYKPSIM-UHFFFAOYSA-N","245684",NA,"PDBC12393","57884","Present"
-"2,3-Dimethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine","","COC1=C(C=C2C3CC4=CC=CC=C4CN3CCCC2=C1)OC","KGHCKEDSNXIEJR-UHFFFAOYSA-N","381012",NA,"PDBC12394","666996","Present"
-"2,3-Dimethoxy-5,6,8,13,14,14a-hexahydroisoquino[2,1-b][2]benzazepine","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-5,6,8,13,14,14a-hexahydroisoquino[2,1-b][2]benzazepine","","COC1=C(C=C2C3CCC4=CC=CC=C4CN3CCC2=C1)OC","BOGOAVSISCSENG-UHFFFAOYSA-N","381011",NA,"PDBC12395","666995","Present"
-"2,3-Dimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine","","COC1=C(C=C2C3C4=CC=CC=C4CCCN3CCC2=C1)OC","QOFWDJOANANGBO-UHFFFAOYSA-N","384196",NA,"PDBC12396","673602","Present"
-"2,3-Dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-8-one","","COC1=C(C=C2C(=C1)CCN3C2=CC4=CC=CC=C4C3=O)OC","DJFADVSFIUADMV-UHFFFAOYSA-N","392604",NA,"PDBC12397","693144","Present"
-"2,3-Dimethoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine","","COC1=C(C=C2CN3CCC4=CC=CC=C4CC3CC2=C1)OC","MLGWFIZHHZKGGB-UHFFFAOYSA-N","390040",NA,"PDBC12398","686954","Present"
-"2,3-Dimethoxy-5,8,12,12a-tetrahydro-6H-thieno[2',3':4,5]pyrido[2,1-a]isoquinoline","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-5,8,12,12a-tetrahydro-6H-thieno[2',3':4,5]pyrido[2,1-a]isoquinoline","","COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C=CS4)OC","KWTDXOQFFPKFDT-UHFFFAOYSA-N","362870",NA,"PDBC12399","627276","Present"
-"2,3-Dimethoxy-5,8,9,13b-tetrahydro-6H-isoquino[1,2-a]isoquinoline","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-5,8,9,13b-tetrahydro-6H-isoquino[1,2-a]isoquinoline","","COC1=C(C=C2C3C4=CC=CC=C4CCN3CCC2=C1)OC","ZAAPJIIHGVAKOE-UHFFFAOYSA-N","381010",NA,"PDBC12400","666994","Present"
-"2,3-Dimethoxy-5-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-[(3,7,11,1...","","CC(C)CCCC(C)CCCC(C)CCCC(=CCSC1=CC(=O)C(=C(C1=O)OC)OC)C","VLFSNJNJZBREKT-HAVVHWLPSA-N","5476942",NA,"PDBC12401","276371","Present"
-"2,3-Dimethoxy-5-methyl-6-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2,3-dimethoxy-5-methyl-6-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclohexa-2,5-diene-1,4-dione","","CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=C(N=C3N2C=CS3)C","HWJSAFHRHOIXGQ-UHFFFAOYSA-N","403959",NA,"PDBC12402","719725","Present"
-"2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(2-naphthalenylthio)-","","COC1=C(C(=O)C(=CC1=O)SC2=CC3=CC=CC=C3C=C2)OC","JYXVVHHLNIBPJM-UHFFFAOYSA-N","314728",NA,"PDBC12403","234214","Present"
-"2,3-Dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione","","CCCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC","HJWWFWFGMWCDJK-UHFFFAOYSA-N","315063",NA,"PDBC12404","237677","Present"
-"2,3-Dimethoxy-6,7-dihydroisoquino[3,2-a][2]benzazepin-9(5H)-one","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-6,7-dihydroisoquino[3,2-a][2]benzazepin-9(5H)-one","","COC1=C(C=C2C(=C1)CCCN3C2=CC4=CC=CC=C4C3=O)OC","PWTVKJXKEFDTDP-UHFFFAOYSA-N","388887",NA,"PDBC12405","684112","Present"
-"2,3-Dimethoxy-6,8-bis(methylsulfanyl)benzo[7]annulene-1,4,7-trione","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-6,8-bis(methylsulfanyl)-1H-benzo[7]annulene-1,4,7-trione","","COC1=C(C(=O)C2=C(C1=O)C=C(C(=O)C(=C2)SC)SC)OC","SPLAJGDLMTVLAC-UHFFFAOYSA-N","375762",NA,"PDBC12406","655911","Present"
-"2,3-Dimethoxy-6,8-dimethyl-1H-benzo[a]cycloheptene-1,4,7-trione","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-6,8-dimethyl-1H-benzo[a]cycloheptene-1,4,7-trione","","CC1=CC2=C(C=C(C1=O)C)C(=O)C(=C(C2=O)OC)OC","JWKIIHAMODQGRC-UHFFFAOYSA-N","373411",NA,"PDBC12407","649666","Present"
-"2,3-Dimethoxy-6-((3,4,5-trimethoxyphenoxy)methyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-6-((3,4,5-trimethoxyphenoxy)methyl)quinoxaline","","COC1=CC(=CC(=C1OC)OC)OCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","MZJGIUHOLRDUGO-UHFFFAOYSA-N","379032",NA,"PDBC12408","662794","Present"
-"2,3-Dimethoxy-6-[3-[(9H-fluorene-9-ylmethoxycarbonyl)amino]propyl]-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline-5,11(6H)-dione","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-5,6-dihydro-5,11-diketo-6-(9H-fluoren-9-yl...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)OC","HGIMQZBKEQOVBC-UHFFFAOYSA-N","11215802",NA,"PDBC12409","729352","Present"
-"2,3-Dimethoxy-6-methyl-8,9-(methylenedioxy)-11H-indeno(1,2-c)isoquinoline","","","","","","","","","","","","","","","","","","","","12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium, 2,3-di...","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C3)OCO5)OC)OC.[Cl-]","BFZNOMQGLXPLSG-UHFFFAOYSA-M","3036292",NA,"PDBC12410","339330","Present"
-"2,3-Dimethoxy-6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carbonitrile","","","","","","","","","","","","","","","","","","","","Indolo[3,2-d]benzazepin-6(5H)-one, 9-cyano-2,3-dimethoxy...","","COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)C#N)OC","TUMYZJPVQGGVEN-UHFFFAOYSA-N","398465",NA,"PDBC12411","708244","Present"
-"2,3-Dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzothiazepine-6,11-dione","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzothiazepine-6,11-dione","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)S2)OC","LGUQESPAGJTULI-UHFFFAOYSA-N","375390",NA,"PDBC12412","655062","Present"
-"2,3-Dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one;hydrochloride","","COC1=C(C=C2C(=C1)C(=O)N3CCCCCC3=N2)OC.Cl","AXBFPSGCDUCBDX-UHFFFAOYSA-N","380990",NA,"PDBC12413","666868","Present"
-"2,3-Dimethoxy-8-nitroindolo[2,1-b]quinazoline-6,12-dione","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-8-nitro-indolo[2,1-b]quinazoline-6,12-dione","","COC1=C(C=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=N2)OC","GNQYOFKHSATVEQ-UHFFFAOYSA-N","396724",NA,"PDBC12414","703333","Present"
-"2,3-Dimethoxy-9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxy-7,12-dihydro-9-nitroindolo[3,2-d][1]benzazepine-6(5H)-one","","COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)[N+](=O)[O-])OC","KYRQRRGDKAIFMA-UHFFFAOYSA-N","5331104",NA,"PDBC12415","709125","Present"
-"2,3-Dimethoxy-benzylidene)-hydrazide","","","","","","","","","","","","","","","","","","","","2,3-dimethoxy-benzylidene-hydrazinocarbonylmethylsulfany...","","COC1=CC=CC(=C1OC)C=NNC(=O)CSCC(=O)NN=CC2=C(C(=CC=C2)OC)OC","WTWHETSYJDQCBA-ASIDMNOUSA-N","9572683",NA,"PDBC12416","724292","Present"
-"2,3-Dimethoxybenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","2,3-Dimethoxybenzo[c]phenanthridine","","COC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC=CC=C34)OC","HDKHMMXHQADIIP-UHFFFAOYSA-N","371246",NA,"PDBC12417","645303","Present"
-"2,3-Dimethyl-1,11-dihydro-4-thia-1,10,11-triaza-4H-cyclopent[b]anthracene 4,4-dioxide","","","","","","","","","","","","","","","","","","","","13,14-Dimethyl-11lambda6-thia-2,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16),13-heptaene 11,11-dioxide","","CC1=C(NC2=C1S(=O)(=O)C3=CC4=CC=CC=C4N=C3N2)C","SPXXCNSKYDAMLP-UHFFFAOYSA-N","396663",NA,"PDBC12418","703177","Present"
-"2,3-Dimethyl-1-oxo-1,2-dihydrobenzo[g]isoquinoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","2,3-Dimethyl-1-oxo-1,2-dihydrobenzo[g]isoquinoline-4-carboxylic acid","","CC1=C(C2=CC3=CC=CC=C3C=C2C(=O)N1C)C(=O)O","FMBAFLDQVZEGLT-UHFFFAOYSA-N","378989",NA,"PDBC12419","662581","Present"
-"2,3-Dimethyl-11-oxo-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","2,3-Dimethyl-11-oxo-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=C(C4=C(C3=O)CCCC4)C#N)N2","BJHFPDNBYNUTEB-UHFFFAOYSA-N","387845",NA,"PDBC12420","682005","Present"
-"2,3-Dimethyl-2-phenyl-1,3-oxazolidine","","","","","","","","","","","","","","","","","","","","NMOZPNPFZGQJDM-UHFFFAOYSA-N","","CC1(N(CCO1)C)C2=CC=CC=C2","NMOZPNPFZGQJDM-UHFFFAOYSA-N","388442",NA,"PDBC12421","683368","Present"
-"2,3-Dimethyl-7,8,9,11-tetrahydropyrazino[2,3-a]carbazole-5,6,10-trione","","","","","","","","","","","","","","","","","","","","2,3-Dimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione","","CC1=C(N=C2C(=N1)C3=C(C4=C(N3)C(=O)CCC4)C(=O)C2=O)C","FFDLGUGEXACMRQ-UHFFFAOYSA-N","404058",NA,"PDBC12422","720176","Present"
-"2,3-Dimethyl-9-oxo-10H-acridine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","2,3-Dimethyl-9-oxo-10H-acridine-4-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)NC3=CC=CC=C3C2=O","DPTMTHVWLUALQO-UHFFFAOYSA-N","360069",NA,"PDBC12423","621867","Present"
-"2,3-Dimethyl-9-oxo-9,10-dihydroacridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","2,3-Dimethyl-9-oxo-9,10-dihydroacridine-4-carboxamide","","CC1=CC2=C(C(=C1C)C(=O)N)NC3=CC=CC=C3C2=O","RIFMAZPBOJOHRT-UHFFFAOYSA-N","362317",NA,"PDBC12424","625953","Present"
-"2,3-Dimethyl-9-oxo-9H-fluorene-4-carboxamide","","","","","","","","","","","","","","","","","","","","2,3-Dimethyl-9-oxo-9H-fluorene-4-carboxamide","","CC1=CC2=C(C3=CC=CC=C3C2=O)C(=C1C)C(=O)N","ZXFUAFKHMWSLRO-UHFFFAOYSA-N","366999",NA,"PDBC12425","636327","Present"
-"2,3-Dimethyl-9-oxo-9H-xanthene-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2,3-Dimethyl-9-oxo-9H-xanthene-4-carbonitrile","","CC1=CC2=C(C(=C1C)C#N)OC3=CC=CC=C3C2=O","UKPXSGGCUAQRQY-UHFFFAOYSA-N","343576",NA,"PDBC12426","383451","Present"
-"2,3-Dimethylbenzo[g]quinoxaline-5,10-dione","","","","","","","","","","","","","","","","","","","","Benzo[g]quinoxaline-5,10-dione, 5,10-dihydro-2,3-dimethyl-","","CC1=C(N=C2C(=N1)C(=O)C3=CC=CC=C3C2=O)C","QWAGSSCSLRFGSL-UHFFFAOYSA-N","353644",NA,"PDBC12427","602617","Present"
-"2,3-Dimethylisoindolo[2,1-a]quinoxaline-6(5H)-one","","","","","","","","","","","","","","","","","","","","7,8-dimethylisoindolo[1,2-a]quinoxalin-4(5H)one","","CC1=CC2=C(C=C1C)N3C=C4C=CC=CC4=C3C(=O)N2","JPAYJDICSQHMCX-UHFFFAOYSA-N","24205094",NA,"PDBC12428","734239","Present"
-"2,3-Dimethylpyrido[1,2-a]indole-1,4-dione","","","","","","","","","","","","","","","","","","","","2,3-Dimethylpyrido[1,2-a]indole-1,4-dione","","CC1=C(C(=O)C2=C(C1=O)C=C3N2C=CC=C3)C","SSXDJMSSVBOSAF-UHFFFAOYSA-N","362141",NA,"PDBC12429","625727","Present"
-"2,3-Dimethylthieno[3,2-b]pyrrolizin-4-one","","","","","","","","","","","","","","","","","","","","2,3-Dimethylthieno[3,2-b]pyrrolizin-4-one","","CC1=C(SC2=C1C(=O)C3=CC=CN32)C","QKWHUSBKSMUXHP-UHFFFAOYSA-N","388528",NA,"PDBC12430","683512","Present"
-"2,3-Dioctadecoxypropoxyphosphinic acid","","","","","","","","","","","","","","","","","","","","2,3-Dioctadecoxypropoxyphosphinic acid","","CCCCCCCCCCCCCCCCCCOCC(CO[P+](=O)O)OCCCCCCCCCCCCCCCCCC","LEAXCTDRBSUXSR-UHFFFAOYSA-O","6331558",NA,"PDBC12431","696393","Present"
-"2,3-Dioxoisoindolin-2-yl)-1,1'-bianthracene-9,9',10,10'-tetraone","","","","","","","","","","","","","","","","","","","","2,2'-bis(1,3-dioxoisoindolin-2-yl)-1,1'-bianthracene-9,9...","","C1=CC=C2C(=C1)C(=O)C(C2=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C6=C(C=CC7=C6C(=O)C8=CC=CC=C8C7=O)C9C(=O)C1=CC=CC=C1C9=O","QQVJNTOBOBFOPW-UHFFFAOYSA-N","54598421",NA,"PDBC12432","115448","Present"
-"2,3-Dipalmitoyloxypropylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642928","","CCCCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCCCC","LFCCZZUAXPODIY-UHFFFAOYSA-N","370187",NA,"PDBC12433","642928","Present"
-"2,3-Diphenyl-5,6-di(2-pyridinyl)-2,3-dihydropyrazine","","","","","","","","","","","","","","","","","","","","2,3-Diphenyl-5,6-di(2-pyridinyl)-2,3-dihydropyrazine","","C1=CC=C(C=C1)C2C(N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4)C5=CC=CC=C5","VBKVCJUHCPUMME-UHFFFAOYSA-N","373513",NA,"PDBC12434","649914","Present"
-"2,3-Diphenyl-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","2,3-Diphenyl-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide","","C1CS(=O)(=O)C(=C(S(=O)(=O)C1)C2=CC=CC=C2)C3=CC=CC=C3","USAJZMJZKQJMGM-UHFFFAOYSA-N","369638",NA,"PDBC12435","641549","Present"
-"2,3-Diphenylbenzo[g]quinoxaline-5,10-dione","","","","","","","","","","","","","","","","","","","","DPBQ","","C1=CC=C(C=C1)C2=C(N=C3C(=N2)C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5","BDDRJIAFKGWLMD-UHFFFAOYSA-N","364074",NA,"PDBC12436","629713","Present"
-"2,3-Diphenylcyclopropene-1-carbonyl chloride","","","","","","","","","","","","","","","","","","","","2,3-Diphenylcyclopropene-1-carbonyl chloride","","C1=CC=C(C=C1)C2C(=C2C(=O)Cl)C3=CC=CC=C3","FUOJKGRSPANJJC-UHFFFAOYSA-N","317461",NA,"PDBC12437","249265","Present"
-"2,3-Diphosphonobutanedioic acid","","","","","","","","","","","","","","","","","","","","2,3-Diphosphonobutanedioic acid","","C(C(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O","SQCGCSDAPBUORZ-UHFFFAOYSA-N","384666",NA,"PDBC12438","674711","Present"
-"2,3-O-Isopropylidene-D-erythronolactone","","","","","","","","","","","","","","","","","","","","NSC679577","","CC1(OC2COC(=O)C2O1)C","WHPSMBYLYRPVGU-RFZPGFLSSA-N","386843",NA,"PDBC12439","679577","Present"
-"2,3-Pyrazinedicarboxylic acid","","","","","","","","","","","","","","","","","","","","Pyrazine-2,3-dicarboxylate","","C1=CN=C(C(=N1)C(=O)O)C(=O)O","ZUCRGHABDDWQPY-UHFFFAOYSA-N","66628",NA,"PDBC12440","1908","Present"
-"2,3-Quinoxalinedicarbaldehyde bis(phenylhydrazone)","","","","","","","","","","","","","","","","","","","","N-[(E)-[3-[(E)-(Phenylhydrazinylidene)methyl]quinoxalin-2-yl]methylideneamino]aniline","","C1=CC=C(C=C1)NN=CC2=NC3=CC=CC=C3N=C2C=NNC4=CC=CC=C4","MCSPCEPPVACSOR-DFEHQXHXSA-N","9555817",NA,"PDBC12441","633390","Present"
-"2,3-dihydro-2-(3'-benzyloxyphenyl)-4-quinazoline","","","","","","","","","","","","","","","","","","","","2,3-dihydro-2-(3'-benzyloxyphenyl)-4-quinazoline","","C1=CC=C(C=C1)COC2=CC=CC(=C2)C3NC4=CC=CC=C4C(=O)N3","UFQXXOKTNXKMSO-UHFFFAOYSA-N","300572",NA,"PDBC12442","175635","Present"
-"2,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-4,4-dimethyl-3,5-dioxo-2-furanyl)-","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-4,4-d...","","CC1(C(=O)C(OC1=O)N2C=C(C(=O)NC2=O)F)C","KAFJQYZHZNWMIY-UHFFFAOYSA-N","334368",NA,"PDBC12443","339322","Present"
-"2,3H)Pyrimido dimethyltetrathiafulvalene,tetrabutylammonium salt","","","","","","","","","","","","","","","","","","","","2,4-Dioxo(1H,3H)pyrimido dimethyltetrathiafulvalene,tetr...","","CCCC[N+](CCCC)(CCCC)CCCC.CC1=C(SC(=C2SC3=C(S2)N=C(NC3=O)[O-])S1)C","AGYNEWFBXMLYFX-UHFFFAOYSA-M","15190630",NA,"PDBC12444","658467","Present"
-"2,4',8-Trimethylspiro[2,3,4,5,7,8,9,10-octahydro-1H-phenanthridine-6,1'-cyclohexane]","","","","","","","","","","","","","","","","","","","","2,4',8-Trimethylspiro[2,3,4,5,7,8,9,10-octahydro-1H-phenanthridine-6,1'-cyclohexane]","","CC1CCC2(CC1)C3=C(CCC(C3)C)C4=C(N2)CCC(C4)C","UJUOMEWFAWLGNM-UHFFFAOYSA-N","379435",NA,"PDBC12445","663981","Present"
-"2,4'-(Ethene-1,2-diyl)bis(3-sulfo-4,1-phenylene))bis(2H-naphtho[2,3-d][1,2,3]triazole-6-sulfonic acid), tetra sodium salt","","","","","","","","","","","","","","","","","","","","2,2'-(4,4'-(ethene-1,2-diyl)bis(3-sulfo-4,1-phenylene))b...","","C1=CC(=CC2=CC3=NN(N=C3C=C21)C4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)N6N=C7C=C8C=CC(=CC8=CC7=N6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","VWFVUNFVNBXVLQ-TYYBGVCCSA-N","54607568",NA,"PDBC12446","306455","Present"
-"2,4'-Diyl)bis(6-chloroquinoline-4-carboxylic acid), potassium salt","","","","","","","","","","","","","","","","","","","","2,2'-(biphenyl-4,4'-diyl)bis(6-chloroquinoline-4-carboxy...","","C1=CC(=CC=C1C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O)C5=NC6=C(C=C(C=C6)Cl)C(=C5)C(=O)O.[K+]","AKPLBHJIGPTIPL-UHFFFAOYSA-N","54612327",NA,"PDBC12447","210627","Present"
-"2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-6,7-bis[(4-methylphenyl)amino]-","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-6,7-bis[(4-methylphenyl)amino]-","","CC1=CC=C(C=C1)NC2=NC3=C(N=C2NC4=CC=C(C=C4)C)N(C(=O)N(C3=O)C)C","LEHMIKFHPANMQX-UHFFFAOYSA-N","383314",NA,"PDBC12448","671427","Present"
-"2,4(1H,3H)-Pyrimidinedione, 1-[(4aS,6R,7aR)-2-(chloromethyl)hexahydro-1-hydroxy-2H-furo[3,2-d][1,3]oxazin-6-yl]-5-methyl-","","","","","","","","","","","","","","","","","","","","1-[(4As,6R,7aR)-2-(chloromethyl)-1-hydroxy-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-6-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC3C(O2)COC(N3O)CCl","VRJKMOCUAGPFBC-PBVVMKELSA-N","393260",NA,"PDBC12449","694910","Present"
-"2,4(1H,3H)-Pyrimidinedione, 1-pentofuranosyl-5-(phenylmethoxy)-","","","","","","","","","","","","","","","","","","","","5-Benzyloxy-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione","","C1=CC=C(C=C1)COC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","ACWJNEMMZVDODA-UHFFFAOYSA-N","370563",NA,"PDBC12450","643789","Present"
-"2,4(1H,3H)-Pyrimidinedione, 5-[(2-hydroxyethoxy)methyl]-","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pyrimidinedione, 5-[(2-hydroxyethoxy)methyl]-","","C1=C(C(=O)NC(=O)N1)COCCO","IKCYGDIJFXSKLO-UHFFFAOYSA-N","373125",NA,"PDBC12451","649067","Present"
-"2,4(1H,3H)-Pyrimidinedione, 5-amino-1-(5,6-dideoxy-6,6,6-triphenylhexofuranosyl)-","","","","","","","","","","","","","","","","","","","","5-Amino-1-[3,4-dihydroxy-5-(2,2,2-triphenylethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione","","C1=CC=C(C=C1)C(CC2C(C(C(O2)N3C=C(C(=O)NC3=O)N)O)O)(C4=CC=CC=C4)C5=CC=CC=C5","SGOLVNKRZIXHOS-UHFFFAOYSA-N","370561",NA,"PDBC12452","643787","Present"
-"2,4(1H,3H)-Pyrimidinedione, 5-iodo-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetoxy-6-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)I)OC(=O)C)OC(=O)C)OC(=O)C","UDGXUCXYLABAHY-UHFFFAOYSA-N","373958",NA,"PDBC12453","650990","Present"
-"2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)amino]-","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)amino]-","","CC1=CC(=CC(=C1)NC2=CC(=O)NC(=O)N2)C","SAERFYPCWUUCPT-UHFFFAOYSA-N","385853",NA,"PDBC12454","677252","Present"
-"2,4(1H,3H)-Pyrimidinedione, 6-[(4-methoxyphenyl)amino]-","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pyrimidinedione, 6-[(4-methoxyphenyl)amino]-","","COC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2","KNFIZFJIHAXZLE-UHFFFAOYSA-N","385855",NA,"PDBC12455","677254","Present"
-"2,4(1H,3H)-Pyrimidinedione, 6-azido-5-chloro-1-(2-deoxypentofuranosyl)dihydro-5-methyl-","","","","","","","","","","","","","","","","","","","","6-Azido-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione","","CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-])Cl","HZBYASIGWIEKSG-UHFFFAOYSA-N","371926",NA,"PDBC12456","646577","Present"
-"2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3,6,7-trimethyl-","","","","","","","","","","","","","","","","","","","","2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3,6,7-trimethyl-","","CC1=C(N(C2=NC(=O)N(C(=O)C2=N1)C)C3=CC=C(C=C3)Cl)C","IHZBLIJQWKCKPC-UHFFFAOYSA-N","363249",NA,"PDBC12457","627995","Present"
-"2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3-methyl-6,7-diphenyl-","","","","","","","","","","","","","","","","","","","","2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3-methyl-6,7-diphenyl-","","CN1C(=O)C2=NC(=C(N(C2=NC1=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5","LZWQPVILMDOTME-UHFFFAOYSA-N","363250",NA,"PDBC12458","627996","Present"
-"2,4,4-Trimethyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2,4,4-Trimethyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide","","CC1(C(=O)N(S(=O)(=O)N1)C)C","HVMZMEQTMYSKPS-UHFFFAOYSA-N","363957",NA,"PDBC12459","629494","Present"
-"2,4,4-Trimethyl-3H-pyrimido[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","2,4,4-Trimethyl-3H-pyrimido[1,2-a]benzimidazole","","CC1=NC2=NC3=CC=CC=C3N2C(C1)(C)C","KBQJJTHWGPYOTC-UHFFFAOYSA-N","388459",NA,"PDBC12460","683389","Present"
-"2,4,5,6-Tetrachloropyrimidine","","","","","","","","","","","","","","","","","","","","perchloropyrimidine","","C1(=C(N=C(N=C1Cl)Cl)Cl)Cl","GVBHCMNXRKOJRH-UHFFFAOYSA-N","15690",NA,"PDBC12461","35123","Present"
-"2,4,5,8,9,11-Hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,7,12,14-pentaene-3,10-dione","","","","","","","","","","","","","","","","","","","","2,4,5,8,9,11-Hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,7,12,14-pentaene-3,10-dione","","C1=CC=C2C(=C1)N3C(=NNC3=O)C4=NNC(=O)N24","SZGVKAPJSILWKH-UHFFFAOYSA-N","6399337",NA,"PDBC12462","643708","Present"
-"2,4,5-Imidazolidinetrione, 1-(4-methoxy-1-naphthalenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","2,4,5-Imidazolidinetrione, 1-(4-methoxy-1-naphthalenyl)-3-methyl-","","CN1C(=O)C(=O)N(C1=O)C2=CC=C(C3=CC=CC=C32)OC","UZNYSVRVYYXCIO-UHFFFAOYSA-N","379230",NA,"PDBC12463","663645","Present"
-"2,4,5-Imidazolidinetrione, 1-[(4-methoxy-1-naphthalenyl)methyl]-3-methyl-","","","","","","","","","","","","","","","","","","","","2,4,5-Imidazolidinetrione, 1-[(4-methoxy-1-naphthalenyl)methyl]-3-methyl-","","CN1C(=O)C(=O)N(C1=O)CC2=CC=C(C3=CC=CC=C23)OC","QVTVYOLBUKXRDQ-UHFFFAOYSA-N","379231",NA,"PDBC12464","663646","Present"
-"2,4,5-Imidazolidinetrione, 1-[2-(diethylamino)ethyl]-3-(1-naphthalenyl)-, monohydrochloride","","","","","","","","","","","","","","","","","","","","2,4,5-Imidazolidinetrione, 1-[2-(diethylamino)ethyl]-3-(1-naphthalenyl)-, monohydrochloride","","CCN(CC)CCN1C(=O)C(=O)N(C1=O)C2=CC=CC3=CC=CC=C32.Cl","CXQCZBXWPFKHHE-UHFFFAOYSA-N","379232",NA,"PDBC12465","663647","Present"
-"2,4,5-Pyrimidinetriamine, N5-(3-methylphenyl)-","","","","","","","","","","","","","","","","","","","","2,4,5-Pyrimidinetriamine, N5-(3-methylphenyl)-","","CC1=CC(=CC=C1)NC2=CN=C(N=C2N)N","AVFIBIOBEPPHEO-UHFFFAOYSA-N","259228",NA,"PDBC12466","88958","Present"
-"2,4,5-Triamino-6-methylene-chromeno[2,3-b][1,8]naphthyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2,4,5-Triamino-6-methylene-chromeno[2,3-b][1,8]naphthyridine-3-carbonitrile","","C=C1C2=CC=CC=C2OC3=C1C(=N)C4=C(C(=C(NC4=N3)N)C#N)N","ZTRIFJNWXISFBS-UHFFFAOYSA-N","389419",NA,"PDBC12467","685501","Present"
-"2,4,5-Trichloro-6-ethylpyrimidine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2,4,5-trichloro-6-ethyl-","","CCC1=C(C(=NC(=N1)Cl)Cl)Cl","PAMHFOVFWWAYCK-UHFFFAOYSA-N","246015",NA,"PDBC12468","58573","Present"
-"2,4,5-Trichloro-6-heptadecylpyrimidine","","","","","","","","","","","","","","","","","","","","2,4,5-Trichloro-6-heptadecylpyrimidine","","CCCCCCCCCCCCCCCCCC1=C(C(=NC(=N1)Cl)Cl)Cl","RPACGXAKBLMJFX-UHFFFAOYSA-N","246018",NA,"PDBC12469","58576","Present"
-"2,4,5-Trichloro-6-methoxypyrimidine;4,5,6-trichloro-2-methoxypyrimidine","","","","","","","","","","","","","","","","","","","","2,4,5-Trichloro-6-methoxypyrimidine;4,5,6-trichloro-2-methoxypyrimidine","","COC1=C(C(=NC(=N1)Cl)Cl)Cl.COC1=NC(=C(C(=N1)Cl)Cl)Cl","KNUOTVCVWRPDIZ-UHFFFAOYSA-N","313216",NA,"PDBC12470","226798","Present"
-"2,4,5-Trichloro-6-phenylpyrimidine","","","","","","","","","","","","","","","","","","","","2,4,5-Trichloro-6-phenylpyrimidine","","C1=CC=C(C=C1)C2=C(C(=NC(=N2)Cl)Cl)Cl","SWSUERHELGJKRQ-UHFFFAOYSA-N","243422",NA,"PDBC12471","53184","Present"
-"2,4,5-Trichloro-6-propylpyrimidine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2,4,5-trichloro-6-propyl-","","CCCC1=C(C(=NC(=N1)Cl)Cl)Cl","CTWZDJNHFGLAMG-UHFFFAOYSA-N","246016",NA,"PDBC12472","58574","Present"
-"2,4,5-Trichloropyrimidine","","","","","","","","","","","","","","","","","","","","2,4,5-trichloropyrimidine","","C1=C(C(=NC(=N1)Cl)Cl)Cl","GIKMWFAAEIACRF-UHFFFAOYSA-N","237259",NA,"PDBC12473","40593","Present"
-"2,4,5-Trimethoxyphenyl)-1-(2-naphtyl)-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol","","","","","","","","","","","","","","","","","","","","2,5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-(2-naphtyl)-1-d...","","CC1(OCC(O1)C2C3C(C(=C(C4=CC5=CC=CC=C5C=C4)C6=CC(=C(C(=C6)OC)OC)OC)O2)OC(O3)(C)C)C","IQQFQJCQWFEBBU-BBYVIBLPSA-N","54613227",NA,"PDBC12474","750870","Present"
-"2,4,5-Trimethoxyphenyl)-1-(3,4-methylenedioxyphenyl)1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol","","","","","","","","","","","","","","","","","","","","2,5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-(3,4-methylened...","","CC1(OCC(O1)C2C3C(C(=C(C4=CC5=C(C=C4)OCO5)C6=CC(=C(C(=C6)OC)OC)OC)O2)OC(O3)(C)C)C","ZJMQFMTXSDLMHH-ZXUXXAPZSA-N","54613158",NA,"PDBC12475","750864","Present"
-"2,4,5-Trimethoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol","","","","","","","","","","","","","","","","","","","","2,5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-(3-hydroxy-4-me...","","CC1(OCC(O1)C2C3C(C(=C(C4=CC(=C(C=C4)OC)O)C5=CC(=C(C(=C5)OC)OC)OC)O2)OC(O3)(C)C)C","HVBSSJMEZFQFCH-PAXDZCIKSA-N","54576091",NA,"PDBC12476","750873","Present"
-"2,4,5-Trioxo-1-phenyl-3-pyrrolidinecarbonitrile","","","","","","","","","","","","","","","","","","","","2,4,5-Trioxo-1-phenyl-3-pyrrolidinecarbonitrile","","C1=CC=C(C=C1)N2C(=O)C(C(=O)C2=O)C#N","AWNPEBBWQUHZTG-UHFFFAOYSA-N","364519",NA,"PDBC12477","630905","Present"
-"2,4,5-Trioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2,4,5-Trioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide","","C1=CC=C(C=C1)CCNC(=O)C2C(=O)C(=O)N(C2=O)CCC3=CC=CC=C3","UIEXAKTXJJHLDN-UHFFFAOYSA-N","359716",NA,"PDBC12478","621161","Present"
-"2,4,5-Trioxo-N,1-bis(4-sulfamoylphenyl)pyrrolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2,4,5-Trioxo-N,1-bis(4-sulfamoylphenyl)pyrrolidine-3-carboxamide","","C1=CC(=CC=C1NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)N","ZRNXDSBSBJTNSF-UHFFFAOYSA-N","361065",NA,"PDBC12479","623869","Present"
-"2,4,5-Trioxo-N,1-dipropyl-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","2,4,5-Trioxo-N,1-dipropyl-3-pyrrolidinecarboxamide","","CCCNC(=O)C1C(=O)C(=O)N(C1=O)CCC","NWYOLUMQKBFDPK-UHFFFAOYSA-N","361088",NA,"PDBC12480","623893","Present"
-"2,4,5-Trioxopyrrolidine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2,4,5-Trioxopyrrolidine-3-carbonitrile","","C(#N)C1C(=O)C(=O)NC1=O","LVRKCOPQBDVQBD-UHFFFAOYSA-N","364525",NA,"PDBC12481","630911","Present"
-"2,4,5-Triphenylimidazole","","","","","","","","","","","","","","","","","","","","lophin","","C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","RNIPJYFZGXJSDD-UHFFFAOYSA-N","10232",NA,"PDBC12482","62790","Present"
-"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-phenyl-","","","","","","","","","","","","","","","","","","","","2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-phenyl-","","C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)CCO","MBKHGECZFQWLRD-UHFFFAOYSA-N","358198",NA,"PDBC12483","618076","Present"
-"2,4,6,6-Tetrakis(4-fluorophenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,4-diamine","","","","","","","","","","","","","","","","","","","","2,4,6,6-Tetrakis(4-fluorophenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,4-diamine","","C1=CC(=CC=C1OP2(=NP(=NP(=N2)(OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)F)(N)OC5=CC=C(C=C5)F)N)F","BBPAEUOMBQPCPL-UHFFFAOYSA-N","343057",NA,"PDBC12484","381810","Present"
-"2,4,6,7,9,11-Hexamethoxy-1,12-dipropylperylene-3,10-dione","","","","","","","","","","","","","","","","","","","","2,4,6,7,9,11-Hexamethoxy-1,12-dipropyl-perylene-3,10-dione","","CCCC1=C(C(=O)C2=C(C=C(C3=C4C(=CC(=C5C4=C(C1=C32)C(=C(C5=O)OC)CCC)OC)OC)OC)OC)OC","OWCQUVMIMDXEAR-UHFFFAOYSA-N","390876",NA,"PDBC12485","688979","Present"
-"2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione;hydrochloride","","C12C(NC3C(N1)NC(=O)N3)NC(=O)N2.Cl","FDWRBMDCCMJLAB-UHFFFAOYSA-N","389852",NA,"PDBC12486","686484","Present"
-"2,4,6,8-Decatetraenedioic acid","","","","","","","","","","","","","","","","","","","","2,4,6,8-Decatetraenedioic acid","","C(=CC=CC(=O)O)C=CC=CC(=O)O","QHYKVJVPIJCRRT-LPZPKAQPSA-N","5355472",NA,"PDBC12487","37491","Present"
-"2,4,6,8-Decatetraenoic acid","","","","","","","","","","","","","","","","","","","","2,4,6,8-Decatetraenoic acid","","CC=CC=CC=CC=CC(=O)O","XJMGDZBZBKBSLJ-GAXCVXDLSA-N","5702796",NA,"PDBC12488","88147","Present"
-"2,4,6-Cycloheptatrien-1-one, 2-[(tributylstannyl)oxy]-","","","","","","","","","","","","","","","","","","","","2,4,6-Cycloheptatrien-1-one, 2-[(tributylstannyl)oxy]-","","","","",NA,"PDBC12489","644907","Present"
-"2,4,6-Cycloheptatrien-1-one, 2-[(tricyclohexylstannyl)oxy]-","","","","","","","","","","","","","","","","","","","","2,4,6-Cycloheptatrien-1-one, 2-[(tricyclohexylstannyl)oxy]-","","","","",NA,"PDBC12490","644926","Present"
-"2,4,6-Cycloheptatrien-1-one, 2-[(triphenylgermyl)oxy]-","","","","","","","","","","","","","","","","","","","","2,4,6-Cycloheptatrien-1-one, 2-[(triphenylgermyl)oxy]-","","","","",NA,"PDBC12491","644928","Present"
-"2,4,6-Cycloheptatrien-1-one, 2-[(triphenylstannyl)oxy]-","","","","","","","","","","","","","","","","","","","","2,4,6-Cycloheptatrien-1-one, 2-[(triphenylstannyl)oxy]-","","","","",NA,"PDBC12492","644918","Present"
-"2,4,6-Pyrimidinetriamine, 5-(4-phenylbutyl)-","","","","","","","","","","","","","","","","","","","","6LJ97GCD83","","C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)N","XDVRXWVIQZDMRG-UHFFFAOYSA-N","259669",NA,"PDBC12493","89818","Present"
-"2,4,6-Pyrimidinetriamine, N4-(4-bromophenyl)-N6-butyl-5-nitroso-","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2-amino-4-p-bromoanilino-6-butylamino-5-nitr...","","CCCCNC1=C(C(=NC(=N1)N)NC2=CC=C(C=C2)Br)N=O","BNBNSXQIJSURCF-UHFFFAOYSA-N","250942",NA,"PDBC12494","70958","Present"
-"2,4,6-Trichloro-3,5-dimethylphenol","","","","","","","","","","","","","","","","","","","","3,5-xylenol, 2,4,6-trichloro- (8ci)","","CC1=C(C(=C(C(=C1Cl)O)Cl)C)Cl","ZNEWEUWJXXZLAD-UHFFFAOYSA-N","81443",NA,"PDBC12495","61998","Present"
-"2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine","","","","","","","","","","","","","","","","","","","","2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine","","CC(C)CCC1=C(N=C(N=C1Cl)Cl)Cl","YLMRYOCDUSEBFI-UHFFFAOYSA-N","260784",NA,"PDBC12496","92498","Present"
-"2,4,6-Trichloro-5-(pentan-2-yl)pyrimidine","","","","","","","","","","","","","","","","","","","","2,4,6-Trichloro-5-(pentan-2-yl)pyrimidine","","CCCC(C)C1=C(N=C(N=C1Cl)Cl)Cl","TWQMDUZDMLZWNR-UHFFFAOYSA-N","260785",NA,"PDBC12497","92499","Present"
-"2,4,6-Trichloro-5-ethylpyrimidine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2,4,6-trichloro-5-ethyl-","","CCC1=C(N=C(N=C1Cl)Cl)Cl","KMPDRUUXTSYMJD-UHFFFAOYSA-N","249455",NA,"PDBC12498","67799","Present"
-"2,4,6-Trichloro-5-heptylpyrimidine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2,4,6-trichloro-5-heptyl-","","CCCCCCCC1=C(N=C(N=C1Cl)Cl)Cl","NIOGDGYWVRUKRP-UHFFFAOYSA-N","260791",NA,"PDBC12499","92506","Present"
-"2,4,6-Trichloro-5-methylpyrimidine","","","","","","","","","","","","","","","","","","","","2,4,6-trichloro-5-methylpyrimidine","","CC1=C(N=C(N=C1Cl)Cl)Cl","VTSWSQGDJQFXHB-UHFFFAOYSA-N","232789",NA,"PDBC12500","30722","Present"
-"2,4,6-Trichloro-5-nonylpyrimidine","","","","","","","","","","","","","","","","","","","","NCIMech_000294","","CCCCCCCCCC1=C(N=C(N=C1Cl)Cl)Cl","KVTJZGNCSHIZHR-UHFFFAOYSA-N","260795",NA,"PDBC12501","92510","Present"
-"2,4,6-Trichloro-5-phenylpyrimidine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2,4,6-trichloro-5-phenyl-","","C1=CC=C(C=C1)C2=C(N=C(N=C2Cl)Cl)Cl","YMCHZJBZJNKSHU-UHFFFAOYSA-N","249013",NA,"PDBC12502","66915","Present"
-"2,4,6-Trichloro-5-propylpyrimidine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2,4,6-trichloro-5-propyl-","","CCCC1=C(N=C(N=C1Cl)Cl)Cl","DXTBIYCCTAVSID-UHFFFAOYSA-N","249012",NA,"PDBC12503","66914","Present"
-"2,4,6-Trichloro-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(2,4,6-trichlorobenzoyl)carbamothioyl]benzamide","","","","","","","","","","","","","","","","","","","","2,4,6-Trichloro-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(2,4,6-trichlorobenzoyl)carbamothioyl]benzamide","","C1=CC(=CN=C1)CN(C(=O)C2=C(C=C(C=C2Cl)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=C(C=C(C=C4Cl)Cl)Cl","ZJQVEUBCNCAMOO-UHFFFAOYSA-N","401373",NA,"PDBC12504","714685","Present"
-"2,4,6-Tricyano-N,N-diisopropyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","2,4,6-Tricyano-N,N-diisopropyl-1-cubanecarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25C#N)C#N)C#N","KAKSBSXQVDCOTR-UHFFFAOYSA-N","369205",NA,"PDBC12505","640911","Present"
-"2,4,6-Triisopropyl-N'-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","2,4,6-Triisopropyl-N'-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)benzenesulfonohydrazide","","CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NN=C2CC3CCC2(C3(C)C)C)C(C)C","YKFIGPHOAFYJHB-XTCLZLMSSA-N","5910589",NA,"PDBC12506","683839","Present"
-"2,4,6-Triisopropylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","TPSH","","CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NN)C(C)C","UGRVYFQFDZRNMQ-UHFFFAOYSA-N","359333",NA,"PDBC12507","620119","Present"
-"2,4,6-Triisopropylbenzenesulfonyl azide","","","","","","","","","","","","","","","","","","","","Trisyl azide","","CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N=[N+]=[N-])C(C)C","AEMWUHCKKDPRSK-UHFFFAOYSA-N","371707",NA,"PDBC12508","646156","Present"
-"2,4,6-Trimethoxy-3-methylbenzonitrile","","","","","","","","","","","","","","","","","","","","2,4,6-Trimethoxy-3-methylbenzonitrile","","CC1=C(C(=C(C=C1OC)OC)C#N)OC","JQIZOIBAGFZPRW-UHFFFAOYSA-N","362552",NA,"PDBC12509","626627","Present"
-"2,4,6-Trimethyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione","","","","","","","","","","","","","","","","","","","","1,3,6-Trimethyl-oxazolo(5,4-d)pyrimidin-2,4(1H,3H)-dion","","CC1=NC2=C(O1)N(C(=O)N(C2=O)C)C","SGESXWXBGMJMKN-UHFFFAOYSA-N","387466",NA,"PDBC12510","681270","Present"
-"2,4,6-Trinitrobenzoyl chloride","","","","","","","","","","","","","","","","","","","","wln: wnr bvg cnw enw","","C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)Cl)[N+](=O)[O-])[N+](=O)[O-]","MWGGWCCALVNFPN-UHFFFAOYSA-N","24126",NA,"PDBC12511","408026","Present"
-"2,4,6-Trioxohexahydro-5-pyrimidinyl diethyldithiocarbamate","","","","","","","","","","","","","","","","","","","","AE-406/40544269","","CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O","ZMIXTWOFJGXDND-UHFFFAOYSA-N","385010",NA,"PDBC12512","675863","Present"
-"2,4,6-Triphenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione","","","","","","","","","","","","","","","","","","","","1,3,6-Triphenyl-oxazolo(5,4-d)pyrimidin-2',4(1H,3H)-dion","","C1=CC=C(C=C1)C2=NC3=C(O2)N(C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","QEGGWTVFHIIHKY-UHFFFAOYSA-N","387467",NA,"PDBC12513","681271","Present"
-"2,4,6-Tris(2-pyridyl)-s-triazine","","","","","","","","","","","","","","","","","","","","tptz (iron reagent)","","C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4","KMVWNDHKTPHDMT-UHFFFAOYSA-N","77258",NA,"PDBC12514","112125","Present"
-"2,4,6-Tris(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2,4,6-Tris(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine","","CC1=CC(=NN1C2=NC(=NC(=N2)N3C(=CC(=N3)C)C)N4C(=CC(=N4)C)C)C","DGBHCVCPUCYWEM-UHFFFAOYSA-N","382077",NA,"PDBC12515","669396","Present"
-"2,4,6-Tris(methoxy(methyl)amino)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2,4,6-Tris(methoxy(methyl)amino)-1,3,5-triazine","","CN(C1=NC(=NC(=N1)N(C)OC)N(C)OC)OC","FOHUWLBGTPKBRH-UHFFFAOYSA-N","379202",NA,"PDBC12516","663614","Present"
-"2,4,6-Tris(phenylsulfanyl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2,4,6-Tris(phenylsulfanyl)-1,3,5-triazine","","C1=CC=C(C=C1)SC2=NC(=NC(=N2)SC3=CC=CC=C3)SC4=CC=CC=C4","KHXOAKYTMQGYHW-UHFFFAOYSA-N","35592",NA,"PDBC12517","669394","Present"
-"2,4,6-Tris(pyridin-4-ylsulfanyl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2,4,6-Tris(pyridin-4-ylsulfanyl)-1,3,5-triazine","","C1=CN=CC=C1SC2=NC(=NC(=N2)SC3=CC=NC=C3)SC4=CC=NC=C4","LGKPUEBCFJRWDH-UHFFFAOYSA-N","382076",NA,"PDBC12518","669395","Present"
-"2,4,6-Tris[(1-oxidopyridin-1-ium-2-yl)sulfanyl]-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2,4,6-Tris[(1-oxidopyridin-1-ium-2-yl)sulfanyl]-1,3,5-triazine","","C1=CC=[N+](C(=C1)SC2=NC(=NC(=N2)SC3=CC=CC=[N+]3[O-])SC4=CC=CC=[N+]4[O-])[O-]","XRKVBUSAGFBTQO-UHFFFAOYSA-N","6712326",NA,"PDBC12519","669393","Present"
-"2,4,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride","","","","","","","","","","","","","","","","","","","","2,3,4,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hy...","","COC1=C(C(=C2C(=C1)CC3=C2N=CC4=CC(=C(C(=C34)OC)OC)OC)OC)OC.Cl","ONQZENUQYXYUJM-UHFFFAOYSA-N","11373887",NA,"PDBC12520","730924","Present"
-"2,4,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride","","","","","","","","","","","","","","","","","","","","2,3,4,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hyd...","","COC1=C(C=C2C(=C1)CC3=C2N=CC4=CC(=C(C(=C34)OC)OC)OC)OC.Cl","UZELIUHSVHMTDC-UHFFFAOYSA-N","11246677",NA,"PDBC12521","730925","Present"
-"2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine","","","","","","","","","","","","","","","","","","","","Benzo[b][1,8]naphthyridin-5-amine, 2,4,7,9-tetramethyl-","","CC1=CC(=C2C(=C1)C(=C3C(=CC(=NC3=N2)C)C)N)C","ZNPSDSMZKLWRLO-UHFFFAOYSA-N","765471",NA,"PDBC12522","749330","Present"
-"2,4,7-Triamino-6-o-tolylpteridine","","","","","","","","","","","","","","","","","","","","fda 0283","","CC1=CC=CC=C1C2=NC3=C(N=C(N=C3N=C2N)N)N","GXCOXYQKWSWCGG-UHFFFAOYSA-N","95122",NA,"PDBC12523","19441","Present"
-"2,4,7-Tribromotropone","","","","","","","","","","","","","","","","","","","","2,4,7-Tribromotropone","","C1=C(C=C(C(=O)C(=C1)Br)Br)Br","MXXSTRTVSOUGQE-UHFFFAOYSA-N","230132",NA,"PDBC12524","24692","Present"
-"2,4,7-Trimethyl-6-phenylpyrrolo[1,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","Pyrrolo[1,2-a]pyrimidine, 2,4,7-trimethyl-6-phenyl","","CC1=CC(=NC2=CC(=C(N12)C3=CC=CC=C3)C)C","VIYJAFDLSZFESZ-UHFFFAOYSA-N","372531",NA,"PDBC12525","647710","Present"
-"2,4,7-Trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine","","","","","","","","","","","","","","","","","","","","2,4,7-Trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine","","C1=CC2=C(C=C1[N+](=O)[O-])C(=NN=C3C4=C(C=CC(=C4)[N+](=O)[O-])C5=C3C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])C6=C2C(=CC(=C6)[N+](=O)[O-])[N+](=O)[O-]","DRNIVEDTEVAGKO-LBXGSASVSA-N","5876263",NA,"PDBC12526","658140","Present"
-"2,4,8,10-Tetrabenzyl-benzo[1,2","","","","","","","","","","","","","","","","","","","","tetrabenzyl[?]tetrone","","C1=CC=C(C=C1)CC2=CC3=C(C=C(C2=O)CC4=CC=CC=C4)C(=O)C5=C(C3=O)C=C(C(=O)C(=C5)CC6=CC=CC=C6)CC7=CC=CC=C7","SDQFIZMKPYQETJ-UHFFFAOYSA-N","385325",NA,"PDBC12527","676442","Present"
-"2,4,8-Trimethoxyquinoline-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","2,4,8-Trimethoxyquinoline-3-carbaldehyde","","COC1=CC=CC2=C1N=C(C(=C2OC)C=O)OC","ZPWJHFFYSOATNH-UHFFFAOYSA-N","359917",NA,"PDBC12528","621629","Present"
-"2,4,9-Tetrahydrothiazolo[2,3:2',3']pyrimido[5,6-b]indol-4-one","","","","","","","","","","","","","","","","","","","","2,3,4,9-Tetrahydrothiazolo[2,3:2',3']pyrimido[5,6-b]indo...","","C1CSC2=NC3=C(C4=CC=CC=C4N3)C(=O)N21","ZBETZKHOTKMFKP-UHFFFAOYSA-N","24205299",NA,"PDBC12529","734974","Present"
-"2,4,9-Trimethylbenzo[b][1,8]naphthyridin-5-amine","","","","","","","","","","","","","","","","","","","","2,4,9-trimethylpyrido[2,3-b]quinolin-5-amine","","CC1=C2C(=CC=C1)C(=C3C(=CC(=NC3=N2)C)C)N","WRUVTYDQVPMYDZ-UHFFFAOYSA-N","698490",NA,"PDBC12530","749171","Present"
-"2,4-Bis(1,3-benzodioxol-5-yl)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","2,4-di(benzo[d][1,3]dioxol-5-yl)-4-oxobutanoic acid","","C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC4=C(C=C3)OCO4)C(=O)O","PPEBBOHQEAQKSW-UHFFFAOYSA-N","294348",NA,"PDBC12531","627512","Present"
-"2,4-Bis(1-adamantylmethoxy)-6-chloropyrimidine","","","","","","","","","","","","","","","","","","","","2,4-Bis(1-adamantylmethoxy)-6-chloropyrimidine","","C1C2CC3CC1CC(C2)(C3)COC4=CC(=NC(=N4)OCC56CC7CC(C5)CC(C7)C6)Cl","SQKLNOOYAICDEK-UHFFFAOYSA-N","387537",NA,"PDBC12532","681447","Present"
-"2,4-Bis(1-methylindol-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","1-Methyl-3-[2-(1-methylindol-3-yl)thiazol-4-yl]indole","","CN1C=C(C2=CC=CC=C21)C3=CSC(=N3)C4=CN(C5=CC=CC=C54)C","HYQSUQWRBUUGKP-UHFFFAOYSA-N","397547",NA,"PDBC12533","705867","Present"
-"2,4-Bis(1H-indol-3-yl)butan-1-ol","","","","","","","","","","","","","","","","","","","","2,4-Di(1H-indol-3-yl)-1-butanol","","C1=CC=C2C(=C1)C(=CN2)CCC(CO)C3=CNC4=CC=CC=C43","WGBUYPUFZUPNQF-UHFFFAOYSA-N","340898",NA,"PDBC12534","372127","Present"
-"2,4-Bis(2-furyl)-1-(3-furyl)butane-1,4-dione","","","","","","","","","","","","","","","","","","","","2,4-Di(2-furyl)-1-(3-furyl)-1,4-butanedione","","C1=COC(=C1)C(CC(=O)C2=CC=CO2)C(=O)C3=COC=C3","AYJQMYUDLAZQGS-UHFFFAOYSA-N","395529",NA,"PDBC12535","700219","Present"
-"2,4-Bis(3,4-dimethoxyphenyl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","ZTMWQBSJCZHMJR-UHFFFAOYSA-N","","COC1=C(C=C(C=C1)C2=NC(=NC=N2)C3=CC(=C(C=C3)OC)OC)OC","ZTMWQBSJCZHMJR-UHFFFAOYSA-N","388432",NA,"PDBC12536","683341","Present"
-"2,4-Bis(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one","","","","","","","","","","","","","","","","","","","","4H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 2,4-bis(3,4-dime...","","COC1=C(C=C(C=C1)C2C=C(OC3=C2C(=O)OC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC)OC","DLTJNJHNAJBVMS-UHFFFAOYSA-N","309281",NA,"PDBC12537","211490","Present"
-"2,4-Bis(3-nitrophenyl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","SAJFRSKAFOGJCD-UHFFFAOYSA-N","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NC=N2)C3=CC(=CC=C3)[N+](=O)[O-]","SAJFRSKAFOGJCD-UHFFFAOYSA-N","388433",NA,"PDBC12538","683342","Present"
-"2,4-Bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","1,5-Bis(4-bromophenyl)-3-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide","","C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=C(C=C4)Br.[Br-]","IZWSSJCXHLWDCP-UHFFFAOYSA-M","376165",NA,"PDBC12539","656676","Present"
-"2,4-Bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate","","","","","","","","","","","","","","","","","","","","2,4-Bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate","","C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=C(C=C4)Br.[O-]Cl(=O)(=O)=O","VMTORDMLJQVFNG-UHFFFAOYSA-M","24202433",NA,"PDBC12540","656678","Present"
-"2,4-Bis(4-methoxyphenoxy)-6-(3-hydroxy-3-methyl-1-butynyl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2-(3'-Hydroxy-3'-methylbut-1'-ynyl)-4,6-di-(4''-methoxyp...","","CC(C)(C#CC1=NC(=NC(=N1)OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC)O","KVQYSGGZCLIELI-UHFFFAOYSA-N","405240",NA,"PDBC12541","722341","Present"
-"2,4-Bis(4-methoxyphenyl)-1,5,3,2,4-dioxathiadiphosphepane 2,4-disulfide","","","","","","","","","","","","","","","","","","","","1,5,3,2,4-Dioxathiadiphosphepane, 2,4-bis(4-methoxypheny...","","COC1=CC=C(C=C1)P2(=S)OCCOP(=S)(S2)C3=CC=C(C=C3)OC","JPGYAYPPBVKALA-UHFFFAOYSA-N","386495",NA,"PDBC12542","678865","Present"
-"2,4-Bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one","","","","","","","","","","","","","","","","","","","","2,4-Bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one","","COC1=CC=C(C=C1)C2C3CCCC(C3=O)C(N2N=O)C4=CC=C(C=C4)OC","QWNRHWNQHLYNSX-UHFFFAOYSA-N","362607",NA,"PDBC12543","626737","Present"
-"2,4-Bis(5-bromo-1H-indol-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","2,4-Bis(5-bromo-1H-indol-3-yl)-1,3-thiazole","","C1=CC2=C(C=C1Br)C(=CN2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","YMABAHXNFDTDLR-UHFFFAOYSA-N","397545",NA,"PDBC12544","705865","Present"
-"2,4-Bis(6-bromo-1H-indol-3-yl)thiazole","","","","","","","","","","","","","","","","","","","","2,4-Bis(6-bromo-1H-indol-3-yl)thiazole","","C1=CC2=C(C=C1Br)NC=C2C3=CSC(=N3)C4=CNC5=C4C=CC(=C5)Br","XFFGHWGOVNLQRT-UHFFFAOYSA-N","396207",NA,"PDBC12545","701759","Present"
-"2,4-Bis(N-(2,4-bis(hydroxy(oxido)amino)phenyl)ethanehydrazonoyl)-N~1~,N~5~-bis(2-methoxyphenyl)pentanediamide","","","","","","","","","","","","","","","","","","","","2,4-Bis[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-N,N'-bis(2-methoxyphenyl)pentanediamide","","CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(CC(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)NC3=CC=CC=C3OC)C(=O)NC4=CC=CC=C4OC","YUPOSQVPNSVORJ-DAGCGWHASA-N","9636892",NA,"PDBC12546","637617","Present"
-"2,4-Bis(N-(2-hydroxybenzoyl)ethanehydrazonoyl)-N~1~,N~5~-bis(2-methoxyphenyl)pentanediamide","","","","","","","","","","","","","","","","","","","","2,4-Bis(N-(2-hydroxybenzoyl)ethanehydrazonoyl)-N~1~,N~5~-bis(2-methoxyphenyl)pentanediamide","","CC(=NNC(=O)C1=CC=CC=C1O)C(CC(C(=NNC(=O)C2=CC=CC=C2O)C)C(=O)NC3=CC=CC=C3OC)C(=O)NC4=CC=CC=C4OC","LCHRMSTXLDFVTB-SKPVJXRPSA-N","9570061",NA,"PDBC12547","637637","Present"
-"2,4-Bis(Phenyldiazenyl)benzene-1,3-diol","","","","","","","","","","","","","","","","","","","","2,4-Bis(Phenyldiazenyl)benzene-1,3-diol","","C1=CC=C(C=C1)NN=C2C=CC(=O)C(=NNC3=CC=CC=C3)C2=O","NDLIECNOSIXXSC-NDDVQLSCSA-N","5463174",NA,"PDBC12548","6268","Present"
-"2,4-Bis(methylhydroxyamino)-6-morpholino-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2,4-Bis(methylhydroxyamino)-6-morpholino-1,3,5-triazine","","CN(C1=NC(=NC(=N1)N2CCOCC2)N(C)O)O","JVZLNSBVPMBHGF-UHFFFAOYSA-N","44186462",NA,"PDBC12549","746616","Present"
-"2,4-Bis(sulfanylidene)spiro[6H-[1,2,4]triazino[3,2-b][1,3,5]thiadiazine-7,9'-fluorene]-8-one","","","","","","","","","","","","","","","","","","","","2,4-Bis(sulfanylidene)spiro[6H-[1,2,4]triazino[3,2-b][1,3,5]thiadiazine-7,9'-fluorene]-8-one","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)N=C5N(N4)C(=S)NC(=S)S5","ILJUKLGZSMGNBL-UHFFFAOYSA-N","3001566",NA,"PDBC12550","658729","Present"
-"2,4-Bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol","","","","","","","","","","","","","","","","","","","","2,4-Bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol","","CCOC1=CC(=CC(=C1O)C=NN(C)C)C=NN(C)C","MSFGDZDRGSLLKR-VULZFCBJSA-N","135436333",NA,"PDBC12551","720189","Present"
-"2,4-Bis[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-hydroxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one","","","","","","","","","","","","","","","","","","","","2,4-Bis[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-hydroxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C5C(O4)(N6C=CC(=O)N=C6O5)COC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)O","LNDLGGDTLCFHJU-UHFFFAOYSA-N","387254",NA,"PDBC12552","680835","Present"
-"2,4-Bishydroxyimino-6(sup a)-hydroxy-6(sup e)-methyl-7-phenyladamantane","","","","","","","","","","","","","","","","","","","","2,4-bishydroxyimino-6(sup a)-hydroxy-6(sup e)-methyl-7-p...","","CC1(C2CC3CC1(CC(C3=NO)C2=NO)C4=CC=CC=C4)O","MDLWZWJEYGSWQC-KCTWFILSSA-N","54611736",NA,"PDBC12553","666702","Present"
-"2,4-Cyclopentadien-1-one, 3,4-bis(4-methylphenyl)-2,5-diphenyl-","","","","","","","","","","","","","","","","","","","","2,4-Cyclopentadien-1-one, 3,4-bis(4-methylphenyl)-2,5-diphenyl-","","CC1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)C5=CC=CC=C5","HFTIJXPCZGDPSS-UHFFFAOYSA-N","370271",NA,"PDBC12554","643049","Present"
-"2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65","DWAZTJAWVKZQFO-UHFFFAOYSA-N","364783",NA,"PDBC12555","631542","Present"
-"2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65","XEQHCUIOXUKJOJ-UHFFFAOYSA-N","366466",NA,"PDBC12556","634926","Present"
-"2,4-Di(2-thienyl)-1-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","2,4-Di(2-thienyl)-1-(3-thienyl)-1,4-butanedione","","C1=CSC(=C1)C(CC(=O)C2=CC=CS2)C(=O)C3=CSC=C3","ONLGAPULPXHIOU-UHFFFAOYSA-N","374720",NA,"PDBC12557","652912","Present"
-"2,4-Di(hydroxymethyl)-3-thioxo-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)one","","","","","","","","","","","","","","","","","","","","2,4-Di(hydroxymethyl)-3-thioxo-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)one","","C1=CC=C(C(=C1)C2=NN(C(=S)N(C2=O)CO)CO)NC(=O)C(F)(F)F","SIFQRPDOTAOSPA-UHFFFAOYSA-N","360751",NA,"PDBC12558","623090","Present"
-"2,4-Di-tert-butyl-6-((4-methoxyphenyl)(pyridin-2-ylamino)methyl)phenol","","","","","","","","","","","","","","","","","","","","2,4-di-tert-butyl-6-((4-methoxyphenyl)(pyridin-2-ylamino...","","CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C2=CC=C(C=C2)OC)NC3=CC=CC=N3","QQHYEOPHRYYZCV-UHFFFAOYSA-N","331195",NA,"PDBC12559","321578","Present"
-"2,4-Diamino-1,3-diazinane-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2,4-diaminohexahydropyrimidine-5-carbonitrile","","C1C(C(NC(N1)N)N)C#N","QMLSMSICNBXNLJ-UHFFFAOYSA-N","309160",NA,"PDBC12560","211332","Present"
-"2,4-Diamino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile","","","","","","","","","","","","","","","","","","","","2,4-Diamino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile","","C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)N)N)C#N","CJKMTJLHVXLIQP-UHFFFAOYSA-N","393967",NA,"PDBC12561","697039","Present"
-"2,4-Diamino-5-(1,1-diethoxy-4-phenylbutan-2-yl)-1H-pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","2,6-Diamino-5-[1-(diethoxymethyl)-3-phenylpropyl]pyrimidin-4(1h)-one","","CCOC(C(CCC1=CC=CC=C1)C2=C(N=C(NC2=O)N)N)OCC","OSFZSFIIQRYTGJ-UHFFFAOYSA-N","135426806",NA,"PDBC12562","719346","Present"
-"2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine","","","","","","","","","","","","","","","","","","","","2,4-Pyrimidinediamine, 5-(4-chloro-3-nitrophenyl)-6-ethyl-","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]","JUUBFXIMFOJFOF-UHFFFAOYSA-N","327404",NA,"PDBC12563","302325","Present"
-"2,4-Diamino-5-(4-chlorophenyl)sulfanyl-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2,4-diamino-5-((4-chlorophenyl)thio)-7,8-dimethoxy-5H-ch...","","COC1=C(C=C2C(=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)Cl)OC","HGOUODMSJJWSLQ-UHFFFAOYSA-N","155810710",NA,"PDBC12564","791652","Present"
-"2,4-Diamino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile","","","","","","","","","","","","","","","","","","","","2,4-Diamino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile","","CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)N)C","DCNQSAAMNLKRCA-UHFFFAOYSA-N","393963",NA,"PDBC12565","697035","Present"
-"2,4-Diamino-6-(2-furyl)pteridine","","","","","","","","","","","","","","","","","","","","2,4-Diamino-6-(2-furyl)pteridine","","C1=COC(=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N","DXYPKMSPMZPOJS-UHFFFAOYSA-N","456254",NA,"PDBC12566","628178","Present"
-"2,4-Diamino-6-(2-naphthalenylsulfonyl)quinazoline","","","","","","","","","","","","","","","","","","","","WR 158122","","C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=CC4=C(C=C3)N=C(N=C4N)N","GBVQWZXJDIIUCC-UHFFFAOYSA-N","98652",NA,"PDBC12567","157388","Present"
-"2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline","","","","","","","","","","","","","","","","","","","","2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]th...","","C1=CC(=CC(=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F","BFQQHTILCQZRGX-UHFFFAOYSA-N","100475",NA,"PDBC12568","305782","Present"
-"2,4-Diamino-6-ethyl-5-(3-(benzylamino)-4-nitrophenyl)pyrimidine","","","","","","","","","","","","","","","","","","","","2,4-Diamino-6-ethyl-5-(3-(benzylamino)-4-nitrophenyl)pyrimidine","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3","AMTSBEAMUDXZRY-UHFFFAOYSA-N","353607",NA,"PDBC12569","602314","Present"
-"2,4-Diamino-6-ethyl-5-(3-azido-4-morpholinophenyl)pyrimidine","","","","","","","","","","","","","","","","","","","","2,4-Diamino-6-ethyl-5-(3-azido-4-morpholinophenyl)pyrimidine","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCOCC3)N=[N+]=[N-]","NBZYENDSLBAYPK-UHFFFAOYSA-N","3292208",NA,"PDBC12570","382032","Present"
-"2,4-Diamino-6-ethyl-5-(3-nitro-4-[(2-phenylethyl)amino]phenyl)pyrimidine","","","","","","","","","","","","","","","","","","","","2,4-Pyrimidinediamine, 6-ethyl-5-[3-nitro- 4-[(2-phenyle...","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCC3=CC=CC=C3)[N+](=O)[O-]","QYERPKPGUXIFHG-UHFFFAOYSA-N","3795021",NA,"PDBC12571","382049","Present"
-"2,4-Diamino-6-ethyl-5-(3-nitro-4-piperazinophenyl)pyrimidine","","","","","","","","","","","","","","","","","","","","2,4-Diamino-6-ethyl-5-(3-nitro-4-piperazinophenyl)pyrimidine","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]","DGLCLFKOBNTETD-UHFFFAOYSA-N","341263",NA,"PDBC12572","372944","Present"
-"2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylaminoazophenyl)pyrimidine","","","","","","","","","","","","","","","","","","","","2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylaminoazophenyl)pyrimidine","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(C)C","WFFVOYIYKQPAFS-UHFFFAOYSA-N","332598",NA,"PDBC12573","330465","Present"
-"2,4-Diamino-6-ethyl-5-(4-piperazinophenyl)pyrimidine","","","","","","","","","","","","","","","","","","","","2,4-Diamino-6-ethyl-5-(4-piperazinophenyl)pyrimidine","","CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)N3CCNCC3","XGAUQOCGQYNEJJ-UHFFFAOYSA-N","343091",NA,"PDBC12574","382044","Present"
-"2,4-Diamino-6-hydroxy-5-phenylazopyrimidine","","","","","","","","","","","","","","","","","","","","py 40","","C1=CC=C(C=C1)N=NC2=C(N=C(NC2=O)N)N","MUDXKPHUGKQTPE-UHFFFAOYSA-N","135403411",NA,"PDBC12575","5200","Present"
-"2,4-Diamino-7-(4-chloroanilino)methylpteridine","","","","","","","","","","","","","","","","","","","","2,4-Diamino-7-(4-chloroanilino)methylpteridine","","CN(CC1=CN=C2C(=NC(=NC2=N1)N)N)C3=CC=C(C=C3)Cl","DPOQKIRVGUYUBH-UHFFFAOYSA-N","393101",NA,"PDBC12576","694486","Present"
-"2,4-Diamino-8-(diethylamino)-5-(4-methoxyphenyl)sulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2,4-diamino-8-(diethylamino)-5-((4-methoxyphenyl)thio)-5...","","CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)OC","MQUSIMKDYSXQSS-UHFFFAOYSA-N","137633517",NA,"PDBC12577","791650","Present"
-"2,4-Diamino-8-methoxy-5-(4-methylsulfanylphenyl)sulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2,4-diamino-8-methoxy-5-((4-(methylthio)phenyl)thio)-5H-...","","COC1=CC2=C(C=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)SC","AHBGRMDVFSSNGT-UHFFFAOYSA-N","155813237",NA,"PDBC12578","791651","Present"
-"2,4-Diamino-8-methyl-5-(4-methylphenyl)sulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2,4-diamino-8-methyl-5-(p-tolylthio)-5H-chromeno[2,3-b]p...","","CC1=CC=C(C=C1)SC2C3=C(C=C(C=C3)C)OC4=C2C(=C(C(=N4)N)C#N)N","DZAAIRMXKVTULJ-UHFFFAOYSA-N","155811020",NA,"PDBC12579","791655","Present"
-"2,4-Diaminobutanoic acid hydrochloride","","","","","","","","","","","","","","","","","","","","Butanoic acid, 2,4-diamino-, dihydrochloride (9CI)","","C(CN)C(C(=O)O)N.Cl","BFPDKDOFOZVSLY-UHFFFAOYSA-N","12430454",NA,"PDBC12580","41117","Present"
-"2,4-Diaminobutylsulfanylphosphonic acid","","","","","","","","","","","","","","","","","","","","LS-46015","","C(CN)C(CSP(=O)(O)O)N","QTWNQBJSYNDNGQ-UHFFFAOYSA-N","100160",NA,"PDBC12581","350191","Present"
-"2,4-Diaminomesitylene","","","","","","","","","","","","","","","","","","","","2,4-mesitylenediamine (8ci)","","CC1=CC(=C(C(=C1N)C)N)C","ZVDSMYGTJDFNHN-UHFFFAOYSA-N","76547",NA,"PDBC12582","10392","Present"
-"2,4-Diazido-3-chloro-quinoline","","","","","","","","","","","","","","","","","","","","2,4-diazido-3-chloro-quinoline","","C1=CC=C2C(=C1)C(=C(C(=N2)N=[N+]=[N-])Cl)N=[N+]=[N-]","CWMGIBFIUQOSPK-UHFFFAOYSA-N","381903",NA,"PDBC12583","669159","Present"
-"2,4-Dibromo-3-hydroxybenzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","2,4-Dibromo-3-hydroxybenzo[c]chromen-6-one","","C1=CC=C2C(=C1)C3=CC(=C(C(=C3OC2=O)Br)O)Br","KKYMOHTZIGBNCQ-UHFFFAOYSA-N","5380407",NA,"PDBC12584","94727","Present"
-"2,4-Dibromo-6-((cyclohexyl(3,5-dibromo-2-hydroxybenzyl)amino)methyl)phenol","","","","","","","","","","","","","","","","","","","","2,4-Dibromo-6-((cyclohexyl(3,5-dibromo-2-hydroxybenzyl)amino)methyl)phenol","","C1CCC(CC1)N(CC2=C(C(=CC(=C2)Br)Br)O)CC3=C(C(=CC(=C3)Br)Br)O","CHKKLLVNGFVSBH-UHFFFAOYSA-N","241474",NA,"PDBC12585","48872","Present"
-"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)","","","","","","","","","","","","","","","","","","","","2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Fe+2]","YCGGVMSIBWSMML-CNHJQGRJSA-L","9569778",NA,"PDBC12586","617584","Present"
-"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride","","","","","","","","","","","","","","","","","","","","2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Cl-].[Fe+3]","IVUNCVVTLRCFGA-FNSWOEPPSA-K","9569777",NA,"PDBC12587","617583","Present"
-"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)","","","","","","","","","","","","","","","","","","","","2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Mn+2]","ZVDCPMNPYIGRQM-CNHJQGRJSA-L","9569776",NA,"PDBC12588","617582","Present"
-"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)","","","","","","","","","","","","","","","","","","","","2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Ni+2]","QOTVMIDLSPOOGV-CNHJQGRJSA-L","9569780",NA,"PDBC12589","617586","Present"
-"2,4-Dibromo-8,9-dichloro-1-nitro-10H-phenothiazine","","","","","","","","","","","","","","","","","","","","2,4-Dibromo-8,9-dichloro-1-nitro-10H-phenothiazine","","C1=CC(=C(C2=C1SC3=C(C=C(C(=C3N2)[N+](=O)[O-])Br)Br)Cl)Cl","RDHDWQQGGAXHCH-UHFFFAOYSA-N","3785335",NA,"PDBC12590","668293","Present"
-"2,4-Dibromo-phenothiazone","","","","","","","","","","","","","","","","","","","","2,4-Dibromo-phenothiazone","","C1=CC=C2C(=C1)N=C3C=C(C(=O)C(=C3S2)Br)Br","NJKSCPROPZWVKZ-UHFFFAOYSA-N","369384",NA,"PDBC12591","641147","Present"
-"2,4-Dibromoestradiol","","","","","","","","","","","","","","","","","","","","2,4-Dibromoestradiol","","CC12CCC3C(C1CCC2O)CCC4=C(C(=C(C=C34)Br)O)Br","UTXNYGUZJLLOSP-UHFFFAOYSA-N","266051",NA,"PDBC12592","103054","Present"
-"2,4-Dibromophenyl 2-(phenylsulfonyl)hydrazinecarboximidoate","","","","","","","","","","","","","","","","","","","","2,4-Dibromophenyl 2-(phenylsulfonyl)hydrazinecarboximidoate","","C1=CC=C(C=C1)S(=O)(=O)NN=C(N)OC2=C(C=C(C=C2)Br)Br","GBJOSNYSRHFVLB-UHFFFAOYSA-N","9570056",NA,"PDBC12593","636797","Present"
-"2,4-Dichloro-1-(2-((2-(((2-(2,4-dichlorophenyl)vinyl)sulfonyl)methyl)benzyl)sulfonyl)vinyl)benzene","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-1-(2-((2-(((2-(2,4-dichlorophenyl)vinyl)sulfonyl)methyl)benzyl)sulfonyl)vinyl)benzene","","C1=CC=C(C(=C1)CS(=O)(=O)C=CC2=C(C=C(C=C2)Cl)Cl)CS(=O)(=O)C=CC3=C(C=C(C=C3)Cl)Cl","YKDUYNZYHBPQJN-WGDLNXRISA-N","5388091",NA,"PDBC12594","631692","Present"
-"2,4-Dichloro-1-(2-(hydroxyamino)propyl)benzene 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-1-(2-(hydroxyamino)propyl)benzene 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)O.CC(CC1=C(C=C(C=C1)Cl)Cl)NO","LPLWMYVFXQJTQF-UHFFFAOYSA-N","246150",NA,"PDBC12595","58739","Present"
-"2,4-Dichloro-1-(2-nitrovinyl)benzene","","","","","","","","","","","","","","","","","","","","Styrene, 2,4-dichloro-.beta.-nitro-","","C1=CC(=C(C=C1Cl)Cl)C=C[N+](=O)[O-]","LIWIJBBAMBDXME-ONEGZZNKSA-N","690125",NA,"PDBC12596","81882","Present"
-"2,4-Dichloro-1-(4-methylpiperazin-1-yl)acridin-9(10H)-one","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-1-(4-methylpiperazin-1-yl)acridin-9(10H)-one","","CN1CCN(CC1)C2=C(C=C(C3=C2C(=O)C4=CC=CC=C4N3)Cl)Cl","VLWHEULXBDRQND-UHFFFAOYSA-N","391395",NA,"PDBC12597","690568","Present"
-"2,4-Dichloro-1-(cyclohexylamino)acridin-9(10H)-one","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-1-(cyclohexylamino)acridin-9(10H)-one","","C1CCC(CC1)NC2=C(C=C(C3=C2C(=O)C4=CC=CC=C4N3)Cl)Cl","XKDPBQFHVVRYSL-UHFFFAOYSA-N","391393",NA,"PDBC12598","690566","Present"
-"2,4-Dichloro-1-(propylamino)acridin-9(10H)-one","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-1-(propylamino)acridin-9(10H)-one","","CCCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3N2)Cl)Cl","QHAXEANHMSYQQY-UHFFFAOYSA-N","391392",NA,"PDBC12599","690565","Present"
-"2,4-Dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene","","C1=CC(=CC=C1S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl)Cl","PFCHQLSWOQFFKU-UHFFFAOYSA-N","237765",NA,"PDBC12600","41567","Present"
-"2,4-Dichloro-1-piperidin-1-ylacridin-9(10H)-one","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-1-piperidin-1-ylacridin-9(10H)-one","","C1CCN(CC1)C2=C(C=C(C3=C2C(=O)C4=CC=CC=C4N3)Cl)Cl","SHUBNOIKJDJGQO-UHFFFAOYSA-N","391394",NA,"PDBC12601","690567","Present"
-"2,4-Dichloro-11-(2-methylpropanoyl)-12H-benzo[c][1,5]benzoxazocin-6-one","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-11-(2-methylpropanoyl)-12H-benzo[c][1,5]benzoxazocin-6-one","","CC(C)C(=O)N1CC2=C(C(=CC(=C2)Cl)Cl)OC(=O)C3=CC=CC=C31","HNKCQDBWNGLOTM-UHFFFAOYSA-N","369595",NA,"PDBC12602","641476","Present"
-"2,4-Dichloro-3,5-dinitrobenzamide","","","","","","","","","","","","","","","","","","","","CC-07311","","C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(=O)N","UBMOQSTZFCSCEV-UHFFFAOYSA-N","96425",NA,"PDBC12603","73705","Present"
-"2,4-Dichloro-3-ethyl-5-methylphenol","","","","","","","","","","","","","","","","","","","","m-Cresol, 4,6-dichloro-5-ethyl-","","CCC1=C(C(=CC(=C1Cl)O)C)Cl","NOEYLPXWMIBMCJ-UHFFFAOYSA-N","247901",NA,"PDBC12604","63357","Present"
-"2,4-Dichloro-3-nitro-5-sulfamoylbenzoic acid","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-3-nitro-5-sulfamoylbenzoic acid","","C1=C(C(=C(C(=C1S(=O)(=O)N)Cl)[N+](=O)[O-])Cl)C(=O)O","QRKBZGTWECLWEP-UHFFFAOYSA-N","280442",NA,"PDBC12605","132073","Present"
-"2,4-Dichloro-5,6-dimethylpyrimidine","","","","","","","","","","","","","","","","","","","","CS-W006842","","CC1=C(N=C(N=C1Cl)Cl)C","BFXIDUSEHNCLTP-UHFFFAOYSA-N","241553",NA,"PDBC12606","49015","Present"
-"2,4-Dichloro-5-ethyl-3-methylphenol","","","","","","","","","","","","","","","","","","","","DA-27306","","CCC1=CC(=C(C(=C1Cl)C)Cl)O","GMHTUWZTSIUNIM-UHFFFAOYSA-N","247902",NA,"PDBC12607","63358","Present"
-"2,4-Dichloro-6-(((2-hydroxyethyl)thio)methyl)phenol","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-6-(((2-hydroxyethyl)thio)methyl)phenol","","C1=C(C=C(C(=C1CSCCO)O)Cl)Cl","YCSNQRTVBPIBKY-UHFFFAOYSA-N","229466",NA,"PDBC12608","23183","Present"
-"2,4-Dichloro-6-(propan-2-yl)pyrimidine","","","","","","","","","","","","","","","","","","","","NE39339","","CC(C)C1=CC(=NC(=N1)Cl)Cl","QOPLCURPYPOIIB-UHFFFAOYSA-N","246012",NA,"PDBC12609","58570","Present"
-"2,4-Dichloro-6-[(3,5-dichloro-2-hydroxy-4,6-dimethylphenyl)methyl]-3,5-dimethylphenol","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-6-[(3,5-dichloro-2-hydroxy-4,6-dimethylphenyl)methyl]-3,5-dimethylphenol","","CC1=C(C(=C(C(=C1Cl)C)Cl)O)CC2=C(C(=C(C(=C2O)Cl)C)Cl)C","FUCRRQSAJWDTFZ-UHFFFAOYSA-N","221351",NA,"PDBC12610","5833","Present"
-"2,4-Dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol","","C1=CC(=C(C=C1CC2=C(C(=CC(=C2)Cl)Cl)O)Cl)O","SSGFIWUNXJVUJB-UHFFFAOYSA-N","257459",NA,"PDBC12611","85485","Present"
-"2,4-Dichloro-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol","","C1=CC(=C(C=C1Cl)CC2=C(C(=CC(=C2)Cl)Cl)O)O","IYRGELGEXONOMJ-UHFFFAOYSA-N","222840",NA,"PDBC12612","9768","Present"
-"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Fe+2]","QATSFXRRCSSNTE-CNHJQGRJSA-L","9569771",NA,"PDBC12613","617576","Present"
-"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Cl-].[Fe+3]","IOSVCLKYAMUXDO-FNSWOEPPSA-K","9569770",NA,"PDBC12614","617575","Present"
-"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Mn+2]","KZNGFHUNEWYTGK-CNHJQGRJSA-L","9569769",NA,"PDBC12615","617574","Present"
-"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Ni+2]","KPYXOSGYQCFFJJ-CNHJQGRJSA-L","9569773",NA,"PDBC12616","617578","Present"
-"2,4-Dichloro-6-heptadecylpyrimidine","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-6-heptadecylpyrimidine","","CCCCCCCCCCCCCCCCCC1=CC(=NC(=N1)Cl)Cl","IXTUHBQNGLUUBO-UHFFFAOYSA-N","246013",NA,"PDBC12617","58571","Present"
-"2,4-Dichloro-N-(2-hydrazinyl-2-oxoethyl)benzamide","","","","","","","","","","","","","","","","","","","","STL193515","","C1=CC(=C(C=C1Cl)Cl)C(=O)NCC(=O)NN","AUJBXUFSWDKWKJ-UHFFFAOYSA-N","366907",NA,"PDBC12618","635967","Present"
-"2,4-Dichloro-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-N'-(3-phenyl-2-propenylidene)benzohydrazide","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-N'-(3-phenyl-2-propenylidene)benzohydrazide","","C1=CC=C(C=C1)C=CC=NN(C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)Cl)Cl","BKCRTUKFUYESPB-VDJFITEKSA-N","9555831",NA,"PDBC12619","640634","Present"
-"2,4-Dichloro-N-[(2,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-N-[(2,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","C1=CC(=CN=C1)CN(C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl","FWNRESIKFPXCDK-UHFFFAOYSA-N","401368",NA,"PDBC12620","714680","Present"
-"2,4-Dichloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide","","C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl","YBAUVWXKOCIXKO-UHFFFAOYSA-N","399372",NA,"PDBC12621","710080","Present"
-"2,4-Dichloro-N-[4-(3,4,5-trihydroxy-phenyl)-thiazol-2-yl]-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-N-[4-(3,4,5-trihydroxy-phenyl)-thiazol-2-yl]-benzenesulfonamide","","C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=NC(=CS2)C3=CC(=C(C(=C3)O)O)O","BGTOVQYRMXIYEM-UHFFFAOYSA-N","403345",NA,"PDBC12622","718137","Present"
-"2,4-Dichloro-N-phenyl-N-((4-phenyl-1-piperidinyl)carbonyl)benzamide","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-N-phenyl-N-((4-phenyl-1-piperidinyl)carbonyl)benzamide","","C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl","HMGMEXJLKNYQGL-UHFFFAOYSA-N","395682",NA,"PDBC12623","700466","Present"
-"2,4-Dichloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide","","C1CCN(CC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl","WGZKZFKVGHCRHQ-UHFFFAOYSA-N","391216",NA,"PDBC12624","690113","Present"
-"2,4-Dichloro-N-propylbenzamide","","","","","","","","","","","","","","","","","","","","STK025802","","CCCNC(=O)C1=C(C=C(C=C1)Cl)Cl","PEPIRIVIHQBSBF-UHFFFAOYSA-N","221797",NA,"PDBC12625","6866","Present"
-"2,4-Dichlorophenothiazin-3-one","","","","","","","","","","","","","","","","","","","","NSC129957","","C1=CC=C2C(=C1)N=C3C=C(C(=O)C(=C3S2)Cl)Cl","YBJVOZCTRKETCN-UHFFFAOYSA-N","279440",NA,"PDBC12626","129957","Present"
-"2,4-Dicyano-3-(2,6-dichlorophenyl)pentanedioic acid","","","","","","","","","","","","","","","","","","","","2,4-Dicyano-3-(2,6-dichlorophenyl)pentanedioic acid","","C1=CC(=C(C(=C1)Cl)C(C(C#N)C(=O)O)C(C#N)C(=O)O)Cl","YPZJRLVFKBMTMP-UHFFFAOYSA-N","334914",NA,"PDBC12627","342054","Present"
-"2,4-Dicyano-6-iodo-N,N-diisopropyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","2,4-Dicyano-6-iodo-N,N-diisopropyl-1-cubanecarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25I)C#N)C#N","HFMWFBCBSFJSHX-UHFFFAOYSA-N","369207",NA,"PDBC12628","640913","Present"
-"2,4-Dicyano-N,N-diisopropyl-cubane-1-carboxamide","","","","","","","","","","","","","","","","","","","","2,4-Dicyano-N,N-diisopropyl-cubane-1-carboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4(C3C25C#N)C#N","JKMMPESTJKFHEJ-UHFFFAOYSA-N","369182",NA,"PDBC12629","640888","Present"
-"2,4-Didiazo-1,5-diphenyl-pentane-1,3,5-trione","","","","","","","","","","","","","","","","","","","","2,4-Bis(diazonio)-3-oxo-1,5-diphenylpenta-1,4-diene-1,5-diolate","","C1=CC=C(C=C1)C(=O)C(=[N+]=[N-])C(=O)C(=[N+]=[N-])C(=O)C2=CC=CC=C2","WKBMGQASPDIQBM-UHFFFAOYSA-N","373319",NA,"PDBC12630","649464","Present"
-"2,4-Diethoxy-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2,4-Diethoxy-6-(1-phenyl-1H-pyrrol-2-yl)-1,3,5-triazine","","CCOC1=NC(=NC(=N1)C2=CC=CN2C3=CC=CC=C3)OCC","DRHFNVVVWWTYNU-UHFFFAOYSA-N","285471",NA,"PDBC12631","142447","Present"
-"2,4-Diethoxyestradiol","","","","","","","","","","","","","","","","","","","","2,4-Diethoxyestra-1,3,5(10)trien-3,17.beta.-diol","","CCOC1=C(C(=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)OCC)O","JOEMROTWVNNROM-MFQVCDOASA-N","388044",NA,"PDBC12632","682505","Present"
-"2,4-Dihydroxy-6-methyl-4'-nitroazobenzene","","","","","","","","","","","","","","","","","","","","2,4-Dihydroxy-6-methyl-4'-nitroazobenzene","","CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])O)O","XDOOUKIUNUWEFT-UHFFFAOYSA-N","69095",NA,"PDBC12633","5066","Present"
-"2,4-Dihydroxy-N-(2-phenylethyl)-3-quinolinecarboxamide","","","","","","","","","","","","","","","","","","","","STL321526","","C1=CC=C(C=C1)CCNC(=O)C2=C(C3=CC=CC=C3NC2=O)O","CRJBVUCXSLZFQS-UHFFFAOYSA-N","54679773",NA,"PDBC12634","675973","Present"
-"2,4-Dihydroxybenzaldehyde 2-pyridylhydrazone","","","","","","","","","","","","","","","","","","","",".beta.-Resorcylaldehyde, 2-pyridylhydrazone","","C1=CC=NC(=C1)NN=CC2=C(C=C(C=C2)O)O","NBSWRIBXGWRHMO-ZSOIEALJSA-N","135509512",NA,"PDBC12635","98572","Present"
-"2,4-Dihydroxybenzophenone amidino hydrazone","","","","","","","","","","","","","","","","","","","","NSC67608","","C1=CC=C(C=C1)C(=NN=C(N)N)C2=C(C=C(C=C2)O)O","RUPHXHIMLGNAQP-LGMDPLHJSA-N","135460269",NA,"PDBC12636","67608","Present"
-"2,4-Dimethanol","","","","","","","","","","","","","","","","","","","","2,5-di(2-thienyl)furan-3,4-dimethanol","","C1=CSC(=C1)C2=C(C(=C(O2)C3=CC=CS3)CO)CO","LSYXOPJDOQPYGR-UHFFFAOYSA-N","12013259",NA,"PDBC12637","726086","Present"
-"2,4-Dimethoxy-1-[(Z)-2-nitrobut-1-enyl]benzene","","","","","","","","","","","","","","","","","","","","2,4-Dimethoxy-1-[(Z)-2-nitrobut-1-enyl]benzene","","CCC(=CC1=C(C=C(C=C1)OC)OC)[N+](=O)[O-]","PQMRXWZJELZJOC-YFHOEESVSA-N","49791635",NA,"PDBC12638","14009","Present"
-"2,4-Dimethoxy-3-phenylmethoxybenzamide","","","","","","","","","","","","","","","","","","","","2,4-Dimethoxy-3-phenylmethoxybenzamide","","COC1=C(C(=C(C=C1)C(=O)N)OC)OCC2=CC=CC=C2","ABHXDGVNAYYEGS-UHFFFAOYSA-N","359192",NA,"PDBC12639","619874","Present"
-"2,4-Dimethoxy-5-[3-oxo-3-phenyl-1-propynyl]pyrimidine","","","","","","","","","","","","","","","","","","","","2-Propyn-1-one, 3-(2,4-dimethoxy-5-pyrimidinyl)-1-phenyl-","","COC1=NC(=NC=C1C#CC(=O)C2=CC=CC=C2)OC","BCMQVURTUKNVHU-UHFFFAOYSA-N","393732",NA,"PDBC12640","696251","Present"
-"2,4-Dimethoxy-6-(1-hydroxycyclohexylethynyl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2-[2'-(1''-Hydroxycyclohex-1''-yl)-ethynyl]-4,6-dimethox...","","COC1=NC(=NC(=N1)C#CC2(CCCCC2)O)OC","LMWJVEWGYXMLDX-UHFFFAOYSA-N","405238",NA,"PDBC12641","722339","Present"
-"2,4-Dimethoxy-6-(3,3-dimethyl-1-butynyl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2-(3',3'-Dimethylbut-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine","","CC(C)(C)C#CC1=NC(=NC(=N1)OC)OC","HDOQCYBURIMHGR-UHFFFAOYSA-N","405235",NA,"PDBC12642","722336","Present"
-"2,4-Dimethoxy-6-(4-hydroxy-1-pentynyl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2-(4'-Hydroxypent-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine","","CC(CC#CC1=NC(=NC(=N1)OC)OC)O","NFZNDNVQDNBJNV-UHFFFAOYSA-N","405239",NA,"PDBC12643","722340","Present"
-"2,4-Dimethoxy-6-(5-cyano-1-pentynyl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2-(5'-Cyanopent-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine","","COC1=NC(=NC(=N1)C#CCCCC#N)OC","LYOOLFPPJHXVFR-UHFFFAOYSA-N","405236",NA,"PDBC12644","722337","Present"
-"2,4-Dimethoxy-7-phenyl-5H-pyrano[4,3-d]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","2,4-Dimethoxy-7-phenyl-5H-pyrano[4,3-d]pyrimidin-5-one","","COC1=NC(=NC2=C1C(=O)OC(=C2)C3=CC=CC=C3)OC","YWMTWVFFQHUHDA-UHFFFAOYSA-N","363692",NA,"PDBC12645","628807","Present"
-"2,4-Dimethoxy-N-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]benzamide","","","","","","","","","","","","","","","","","","","","2,4-Dimethoxy-N-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]benzamide","","COC1=CC(=C(C=C1)C(=O)NCCC2CN(C3=CC=CC=C23)S(=O)(=O)C(F)(F)F)OC","FWQACGVVRLAQJZ-UHFFFAOYSA-N","394111",NA,"PDBC12646","697248","Present"
-"2,4-Dimethyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2,4-Dimethyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide","","CC1C(=O)N(S(=O)(=O)N1)C","REMRIRINSXHPBK-UHFFFAOYSA-N","364078",NA,"PDBC12647","629717","Present"
-"2,4-Dimethyl-1,3-dioxo-7,8-dihydro-6H-purino[7,8-a]imidazole-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","2,4-Dimethyl-1,3-dioxo-7,8-dihydro-6H-purino[7,8-a]imidazole-7-carboxylic acid","","CN1C2=C(C(=O)N(C1=O)C)N3CC(NC3=N2)C(=O)O","DIJMJMFKTZVOGK-UHFFFAOYSA-N","397197",NA,"PDBC12648","704604","Present"
-"2,4-Dimethyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate","","","","","","","","","","","","","","","","","","","","2,4-Dimethyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate","","CC1CC2=C(C(=C3C=CC=NC3=C2O1)OC(=O)C)C","WPNQXAYWWOHDQA-UHFFFAOYSA-N","391199",NA,"PDBC12649","690032","Present"
-"2,4-Dimethyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene","","","","","","","","","","","","","","","","","","","","2,4-Dimethyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene","","CC1=CC2=C(C=C1)OC3C4=C2N(N=C4C5=CC=CC=C5S3)C","VFZJZLLVULVZED-UHFFFAOYSA-N","371911",NA,"PDBC12650","646495","Present"
-"2,4-Dimethyl-3-phenyl-1,2,4-oxadiazolidin-5-one","","","","","","","","","","","","","","","","","","","","2,4-Dimethyl-3-phenyl-1,2,4-oxadiazolidin-5-one","","CN1C(N(OC1=O)C)C2=CC=CC=C2","AWZBQNWWVHQYRB-UHFFFAOYSA-N","361520",NA,"PDBC12651","624644","Present"
-"2,4-Dimethyl-3H-imidazo[1,5-b][1,2,4]triazepine-9-carbonitrile","","","","","","","","","","","","","","","","","","","","2,4-Dimethyl-3H-imidazo[1,5-b][1,2,4]triazepine-9-carbonitrile","","CC1=NC2=C(N=CN2N=C(C1)C)C#N","DJGSKPIYTNUABV-UHFFFAOYSA-N","382626",NA,"PDBC12652","670267","Present"
-"2,4-Dimethyl-5-(1,3,5,7-tetramethyl-1-nonenyl)-2,3-dihydro-2-furanol","","","","","","","","","","","","","","","","","","","","2,4-Dimethyl-5-(1,3,5,7-tetramethyl-1-nonenyl)-2,3-dihydro-2-furanol","","CCC(C)CC(C)CC(C)C=C(C)C1=C(CC(O1)(C)O)C","HBTWRDZVMBFOOH-LFIBNONCSA-N","5387832",NA,"PDBC12653","627784","Present"
-"2,4-Dimethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1-oxa-3-aza-2-boranuidacyclopentane","","","","","","","","","","","","","","","","","","","","2,4-Dimethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1-oxa-3-aza-2-boranuidacyclopentane","","","","",NA,"PDBC12654","656981","Present"
-"2,4-Dimethyl-7-piperazin-1-yl-1,8-naphthyridine","","","","","","","","","","","","","","","","","","","","2,4-Dimethyl-7-piperazin-1-yl-1,8-naphthyridine","","CC1=CC(=NC2=C1C=CC(=N2)N3CCNCC3)C","YRGOAYZJMMYXBM-UHFFFAOYSA-N","390343",NA,"PDBC12655","687679","Present"
-"2,4-Dimethylpurino[8',7':2,3][1,3]thiazolo[4,5-b]quinoxaline-1,3(2H,4H)-dione","","","","","","","","","","","","","","","","","","","","5,7-Dimethyl-11-thia-2,5,7,9,13,20-hexazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),9,12,14,16,18-heptaene-4,6-dione","","CN1C2=C(C(=O)N(C1=O)C)N3C4=NC5=CC=CC=C5N=C4SC3=N2","WUDDVWYENMNTIZ-UHFFFAOYSA-N","380628",NA,"PDBC12656","666303","Present"
-"2,4-Dinitro-1-[3-(trifluoromethyl)phenoxy]benzene","","","","","","","","","","","","","","","","","","","","2,4-Dinitro-1-[3-(trifluoromethyl)phenoxy]benzene","","C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F","XKJFTQLTCVTSNS-UHFFFAOYSA-N","240863",NA,"PDBC12657","47657","Present"
-"2,4-Dinitro-1-benzofuran","","","","","","","","","","","","","","","","","","","","2,4-Dinitro-1-benzofuran","","C1=CC(=C2C=C(OC2=C1)[N+](=O)[O-])[N+](=O)[O-]","MOECQHRJENTFOF-UHFFFAOYSA-N","332391",NA,"PDBC12658","329127","Present"
-"2,4-Dinitro-3'-nitrodiphenyl ether","","","","","","","","","","","","","","","","","","","","72I9A2I712","","C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","SFBYLUNXRRSEEP-UHFFFAOYSA-N","221812",NA,"PDBC12659","6883","Present"
-"2,4-Dinitro-5,6-dihydrobenzo[b][1,4]benzoxazepine","","","","","","","","","","","","","","","","","","","","2,4-Dinitro-5,6-dihydrobenzo[b][1,4]benzoxazepine","","C1C2=CC=CC=C2OC3=CC(=CC(=C3N1)[N+](=O)[O-])[N+](=O)[O-]","PFJKYFUZPDUUBN-UHFFFAOYSA-N","384815",NA,"PDBC12660","675265","Present"
-"2,4-Dinitrobenzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","2,4-Dinitro-6H-benzo[c]chromen-6-one","","C1=CC=C2C(=C1)C3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC2=O","WWTMURRQHQBWJZ-UHFFFAOYSA-N","265058",NA,"PDBC12661","100829","Present"
-"2,4-Dinitrophenyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","CBDivE_002081","","CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","NQXDAKVRYHXNPE-UHFFFAOYSA-N","230690",NA,"PDBC12662","25830","Present"
-"2,4-Dinitrophenylacetic acid","","","","","","","","","","","","","","","","","","","","2,4-dinitrophenylacetic acid","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(=O)O","KCNISYPADDTFDO-UHFFFAOYSA-N","221513",NA,"PDBC12663","6225","Present"
-"2,4-Dioxo-1-(2-oxoethyl)hexahydro-5-pyrimidinecarboximidamide","","","","","","","","","","","","","","","","","","","","2,4-Dioxo-1-(2-oxoethyl)hexahydro-5-pyrimidinecarboximidamide","","C1C(C(=O)NC(=O)N1CC=O)C(=N)N","HYPFDPGVBLOTGP-UHFFFAOYSA-N","376278",NA,"PDBC12664","656992","Present"
-"2,4-Dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-phenyl-N-(2,4,5-trichlorophenyl)butanamide","","","","","","","","","","","","","","","","","","","","2,4-Dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-phenyl-N-(2,4,5-trichlorophenyl)butanamide","","C1=CC=C(C=C1)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C(=O)NC4=CC(=C(C=C4Cl)Cl)Cl","HLWZWPWSXNDXTE-UHFFFAOYSA-N","371551",NA,"PDBC12665","645880","Present"
-"2,4-Dioxo-6-(p-tolyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1H-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(4-Methylphenyl)-2,4-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-pyrimidine-5-carbonitrile","","CC1=CC=C(C=C1)C2=C(C(=O)N(C(=O)N2)C3C(C(C(C(O3)CO)O)O)O)C#N","WGWFZQMAQHHFSO-UHFFFAOYSA-N","389667",NA,"PDBC12666","686042","Present"
-"2,4-Dioxo-6-phenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1H-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC686040///NSC686043","","C1=CC=C(C=C1)C2=C(C(=O)N(C(=O)N2)C3C(C(C(C(O3)CO)O)O)O)C#N","YEMPSUVPEYNEAA-UHFFFAOYSA-N","389665",NA,"PDBC12667","686040///686043","Present"
-"2,4-Dioxo-N-(2,4,5-trichlorophenyl)-6-(2,4,6-trioxohexahydro-5-pyrimidinyl)-5-hexenamide","","","","","","","","","","","","","","","","","","","","2,4-Dioxo-N-(2,4,5-trichlorophenyl)-6-(2,4,6-trioxohexahydro-5-pyrimidinyl)-5-hexenamide","","C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)C(=O)CC(=O)C=CC2C(=O)NC(=O)NC2=O","IWIVOMPOQUWQBO-OWOJBTEDSA-N","5862202",NA,"PDBC12668","642012","Present"
-"2,4-Dioxo-N-(2-propan-2-ylphenyl)-4-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)butanamide","","","","","","","","","","","","","","","","","","","","2,4-Dioxo-N-(2-propan-2-ylphenyl)-4-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)butanamide","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=O)C(=O)NC3=CC=CC=C3C(C)C","HKFHCNZEDUGRJT-UHFFFAOYSA-N","364327",NA,"PDBC12669","630342","Present"
-"2,4-Diphenyl-1,3-oxazol-5(4h)-one","","","","","","","","","","","","","","","","","","","","Azlactone","","C1=CC=C(C=C1)C2C(=O)OC(=N2)C3=CC=CC=C3","IEJPPSMHUUQABK-UHFFFAOYSA-N","223025",NA,"PDBC12670","10171","Present"
-"2,4-Diphenyl-1-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","2,4-Diphenyl-1-thiophen-3-ylbutane-1,4-dione","","C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(=O)C3=CSC=C3","PQZHNLLMWGSENC-UHFFFAOYSA-N","395525",NA,"PDBC12671","700215","Present"
-"2,4-Diphenyl-3,4-dihydropyrimido[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","2,4-Diphenyl-3,4-dihydropyrimido[1,2-a]benzimidazole","","C1C(N2C3=CC=CC=C3N=C2N=C1C4=CC=CC=C4)C5=CC=CC=C5","RGLLBGFSRMGPCW-UHFFFAOYSA-N","388458",NA,"PDBC12672","683388","Present"
-"2,4-Diphenyl-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","2,4-Diphenyl-3,6-dihydro-2H-1,2-oxazine","","C1C=C(CN(O1)C2=CC=CC=C2)C3=CC=CC=C3","UGUQLUSVOXTKJY-UHFFFAOYSA-N","370849",NA,"PDBC12673","644555","Present"
-"2,4-Diphenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","2,4-Diphenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC=CC=C5","RUBBCXXZKITYEZ-UHFFFAOYSA-N","384148",NA,"PDBC12674","673435","Present"
-"2,4-Diphenyl-6-(2-(1-phenylvinyl)phenyl)pyridine","","","","","","","","","","","","","","","","","","","","2,4-Diphenyl-6-(2-(1-phenylvinyl)phenyl)pyridine","","C=C(C1=CC=CC=C1)C2=CC=CC=C2C3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5","MJYXXNPPRXPPGL-UHFFFAOYSA-N","386206",NA,"PDBC12675","677922","Present"
-"2,4-Diphenyl-6-(4-pyridyl)pyridine","","","","","","","","","","","","","","","","","","","","4,6-diphenyl-2,4'-bipyridine","","C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=NC=C3)C4=CC=CC=C4","WRRXRNDAIFIALY-UHFFFAOYSA-N","388628",NA,"PDBC12676","683639","Present"
-"2,4-Diphenyl-6-thioxo-1,3-thiazine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2,4-Diphenyl-6-thioxo-1,3-thiazine-5-carbonitrile","","C1=CC=C(C=C1)C2=C(C(=S)SC(=N2)C3=CC=CC=C3)C#N","HQNLXLXJLZRUHZ-UHFFFAOYSA-N","389403",NA,"PDBC12677","685474","Present"
-"2,4-Ditert-butyl-6-(1-phenylpropyl)phenol","","","","","","","","","","","","","","","","","","","","2,4-Ditert-butyl-6-(1-phenylpropyl)phenol","","CCC(C1=CC=CC=C1)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O","QNAPXTXFAOYBQN-UHFFFAOYSA-N","331190",NA,"PDBC12678","321568","Present"
-"2,4-Imidazolidinedione, 3-(2-methylbutyl)-5-(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","2,4-Imidazolidinedione, 3-(2-methylbutyl)-5-(phenylmethyl)-","","CCC(C)CN1C(=O)C(NC1=O)CC2=CC=CC=C2","AISINMASPYZIOP-UHFFFAOYSA-N","359149",NA,"PDBC12679","619828","Present"
-"2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)-","","","","","","","","","","","","","","","","","","","","2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)- (...","","C1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N","YBIRDHJXPIORJB-UHFFFAOYSA-N","26341",NA,"PDBC12680","129409","Present"
-"2,4-Pyrimidinediamine, 6-((E)-2-(4-nitrophenyl)ethenyl)-5-(4-phenylbutyl)-","","","","","","","","","","","","","","","","","","","","2,4-Pyrimidinediamine, 6-((E)-2-(4-nitrophenyl)ethenyl)-5-(4-phenylbutyl)-","","C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)C=CC3=CC=C(C=C3)[N+](=O)[O-]","FHQIBAKBLAPNEL-NTCAYCPXSA-N","5930201",NA,"PDBC12681","212143","Present"
-"2,4-Pyrimidinediamine, N4,N4'-1,5-pentanediylbis[6-chloro-","","","","","","","","","","","","","","","","","","","","4-N-[5-[(2-Amino-6-chloropyrimidin-4-yl)amino]pentyl]-6-chloropyrimidine-2,4-diamine","","C1=C(N=C(N=C1Cl)N)NCCCCCNC2=CC(=NC(=N2)N)Cl","QUUXGQAUGYPJLX-UHFFFAOYSA-N","363996",NA,"PDBC12682","629618","Present"
-"2,4-Pyrimidinediol, 6-[2-(3-chloro-4-methylphenyl)hydrazino]-","","","","","","","","","","","","","","","","","","","","2,4-Pyrimidinediol, 6-[2-(3-chloro-4-methylphenyl)hydrazino]-","","CC1=C(C=C(C=C1)NNC2=CC(=O)NC(=O)N2)Cl","DKDCAVRCLKGGGD-UHFFFAOYSA-N","385881",NA,"PDBC12683","677281","Present"
-"2,4-Pyrrolidinedione, 5-[(3-fluorophenyl)methyl]-3-[1-(phenylamino)ethylidene]-","","","","","","","","","","","","","","","","","","","","2,4-Pyrrolidinedione, 5-[(3-fluorophenyl)methyl]-3-[1-(p...","","CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC(=CC=C3)F)O","ZBBKGJCZNKXCAO-UHFFFAOYSA-N","135468177",NA,"PDBC12684","239273","Present"
-"2,4-Quinazolinediamine, 6-(phenylsulfonyl)-","","","","","","","","","","","","","","","","","","","","2,4-Quinazolinediamine, 6-(phenylsulfonyl)-","","C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N","PPVKDCRCHJWCLK-UHFFFAOYSA-N","328137",NA,"PDBC12685","305783","Present"
-"2,4-Quinazolinediamine, 6-[[4-(dimethylamino)phenyl]thio]-","","","","","","","","","","","","","","","","","","","","2,4-Quinazolinediamine, 6-[[4-(dimethylamino)phenyl]thio]-","","CN(C)C1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N","XBBZMWRNKBGJPJ-UHFFFAOYSA-N","328145",NA,"PDBC12686","305799","Present"
-"2,4-Quinolinedione, 1,2,3,4,5,6,7,8-octahydro-1-beta-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","2,4-Quinolinedione, 1,2,3,4,5,6,7,8-octahydro-1-.beta.-D...","","C1CCC2=C(C1)C(=O)NC(=O)N2C3C(C(C(O3)CO)O)O","JOQQLBHFZDFOSZ-UHFFFAOYSA-N","357021",NA,"PDBC12687","614590","Present"
-"2,4-Tri-O-acetyl-1-S-dimethylarsino-1-thio-a-D-xylose","","","","","","","","","","","","","","","","","","","","2,3,4-tri-O-acetyl-1-S-dimethylarsino-1-thio- a -D-xylose","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)S[As](C)C","TYZRUJGDDNEADN-UHFFFAOYSA-N","24203220",NA,"PDBC12688","727219","Present"
-"2,4-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoquin oline Hydrychloride","","","","","","","","","","","","","","","","","","","","2,3,4-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]iso...","","COC1=C(C(=C2C3=C(C4=CC5=C(C=C4C3)OCO5)N=CC2=C1)OC)OC.Cl","HNPPPWUVNMUHSR-UHFFFAOYSA-N","11315214",NA,"PDBC12689","730922","Present"
-"2,4-b]Thiadiazo l]disulphide","","","","","","","","","","","","","","","","","","","","2,2-Bis[5-(p-chlorophenoxy)methylenetriazolo[3,4-b]thiad...","","C1=CC(=CC=C1OCC2=NN=C3N2N=C(S3)SSC4=NN5C(=NN=C5S4)COC6=CC=C(C=C6)Cl)Cl","UQNCMHKLJYFMGT-UHFFFAOYSA-N","405799",NA,"PDBC12690","723451","Present"
-"2,4a-Epoxy-6,8a-methanonaphthalene-4-carboxylic acid, 1,2,5,6,7,8-hexahydro-9,9-dimethyl-1-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 12,12-dimethyl-7-oxo-11-oxatetracyclo[6.2.1.13,6.01,6]dodec-9-ene-10-carboxylate","","CC1(C2CCC13C(=O)C4C=C(C3(C2)O4)C(=O)OC)C","DEAFMOGWTMKXTG-UHFFFAOYSA-N","361725",NA,"PDBC12691","624967","Present"
-"2,5,10-Trione","","","","","","","","","","","","","","","","","","","","2,3-Diphenyl-11H-benzo[f]cyclopenta[b]indol-1,5,10-trione","","C1=CC=C(C=C1)C2=C(C(=O)C3=C2NC4=C3C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6","JAYWMLTYHCTVRX-UHFFFAOYSA-N","24205015",NA,"PDBC12692","733965","Present"
-"2,5,11-Trimethyl-1,2,3,4-tetrahydro-6H-pyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","2,5,11-Trimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole","","CC1=C2CCN(CC2=C(C3=C1NC4=CC=CC=C43)C)C","VEWDTPLPQIPZCW-UHFFFAOYSA-N","367415",NA,"PDBC12693","637133","Present"
-"2,5,11-Trimethyl-10-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol;iodide","","","","","","","","","","","","","","","","","","","","9-Hydroxy-2,5,11-trimethyl-10-(2,2,2-trifluoroethoxy)-6h-pyrido[4,3-b]carbazol-2-ium iodide","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C(=C(C=C4)O)OCC(F)(F)F)C)C.[I-]","CKQUZBRUDVTBEV-UHFFFAOYSA-N","370279",NA,"PDBC12694","643125","Present"
-"2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium;acetate","","","","","","","","","","","","","","","","","","","","2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium acetate","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OCC(F)(F)F)C)C.CC(=O)[O-]","LVQBFIKWQDJHAH-UHFFFAOYSA-N","373610",NA,"PDBC12695","650260","Present"
-"2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium;iodide","","","","","","","","","","","","","","","","","","","","2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OCC(F)(F)F)C)C.[I-]","ODHDMKBQMIMXDY-UHFFFAOYSA-N","373608",NA,"PDBC12696","650259","Present"
-"2,5,11-Trimethyl-9-[(2-methylpropan-2-yl)oxy]-6H-pyrido[4,3-b]carbazol-2-ium;acetate","","","","","","","","","","","","","","","","","","","","9-Tert-butoxy-2,5,11-trimethyl-6h-pyrido[4,3-b]carbazol-2-ium acetate","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)(C)C)C)C.CC(=O)[O-]","OYXVCTAKHUYFKT-UHFFFAOYSA-N","367832",NA,"PDBC12697","637908","Present"
-"2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium;acetate","","","","","","","","","","","","","","","","","","","","2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium;acetate","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC5=CC=CC=C5)C)C.CC(=O)[O-]","DWVYSEBPFZAVNE-UHFFFAOYSA-N","10431819",NA,"PDBC12698","650269","Present"
-"2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium;iodide","","","","","","","","","","","","","","","","","","","","2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC5=CC=CC=C5)C)C.[I-]","WJYRZYQPNFAXSA-UHFFFAOYSA-N","373620",NA,"PDBC12699","650268","Present"
-"2,5,11-Trimethyl-9-propan-2-yloxy-6H-pyrido[4,3-b]carbazol-2-ium;acetate","","","","","","","","","","","","","","","","","","","","2,5,11-Trimethyl-9-(propan-2-yloxy)-6H-pyrido[4,3-b]carbazol-2-ium acetate","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)C)C)C.CC(=O)[O-]","YKYPYLOXSORLKZ-UHFFFAOYSA-N","373618",NA,"PDBC12700","650266","Present"
-"2,5,11-Trimethyl-9-propan-2-yloxy-6H-pyrido[4,3-b]carbazol-2-ium;iodide","","","","","","","","","","","","","","","","","","","","2,5,11-Trimethyl-9-(propan-2-yloxy)-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)C)C)C.[I-]","JVWHPCIZZMIHEV-UHFFFAOYSA-N","373616",NA,"PDBC12701","650265","Present"
-"2,5,12-Trimethyl-[1,4]benzodioxino[2,3-g]isoquinolin-2-ium","","","","","","","","","","","","","","","","","","","","2,5,12-Trimethyl-[1,4]benzodioxino[3,2-g]isoquinolin-2-ium acetate","","CC1=C2C=C[N+](=CC2=C(C3=C1OC4=CC=CC=C4O3)C)C.CC(=O)[O-]","DFUXLFVDZICVFB-UHFFFAOYSA-M","388316",NA,"PDBC12702","683048","Present"
-"2,5,5,6-Tetramethylbicyclo[2.2.1]heptan-2-ol","","","","","","","","","","","","","","","","","","","","2,5,5,6-Tetramethylbicyclo[2.2.1]heptan-2-ol","","CC1C2CC(C1(C)C)CC2(C)O","WBRVSUFURREMCX-UHFFFAOYSA-N","376007",NA,"PDBC12703","656387","Present"
-"2,5,5-Trimethyl-3-aza-2-azoniatricyclo[5.2.2.02,6]undeca-3,8-diene;iodide","","","","","","","","","","","","","","","","","","","","3,3,8-Trimethyl-3,3a,4,7-tetrahydro-4,7-ethanopyrazolo[1,5-a]pyridin-8-ium iodide","","CC1(C=N[N+]2(C1C3CCC2C=C3)C)C.[I-]","UHDDWRIVXRLXNZ-UHFFFAOYSA-M","363365",NA,"PDBC12704","628248","Present"
-"2,5,6,7-Tetrafluoro-1H-benzo[d]imidazol-2-yl)phenol","","","","","","","","","","","","","","","","","","","","2,6-di-tert-butyl-4-(4,5,6,7-tetrafluoro-1H-benzo[d]imid...","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NC3=C(N2)C(=C(C(=C3F)F)F)F","DFXIDLOJBDDPDX-UHFFFAOYSA-N","135580414",NA,"PDBC12705","736002","Present"
-"2,5,6,8-Tetramethyl-3,10-bis[2,4,6-tri(propan-2-yl)phenyl]-3lambda5,10lambda5-diphosphatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide","","","","","","","","","","","","","","","","","","","","2,5,6,8-Tetramethyl-3,10-bis[2,4,6-tri(propan-2-yl)phenyl]-3lambda5,10lambda5-diphosphatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide","","CC1=CC2C3(C(C1P2(=O)C4=C(C=C(C=C4C(C)C)C(C)C)C(C)C)(C(=CP3(=O)C5=C(C=C(C=C5C(C)C)C(C)C)C(C)C)C)C)C","KDIUGRPEFPBZAU-UHFFFAOYSA-N","398932",NA,"PDBC12706","709166","Present"
-"2,5,6-Triphenyl-5,6-dihydropyrrolo[3,4-d][1,2,3]triazol-4(2H)-one","","","","","","","","","","","","","","","","","","","","2,5,6-Triphenyl-5,6-dihydropyrrolo[3,4-d][1,2,3]triazol-4(2H)-one","","C1=CC=C(C=C1)C2C3=NN(N=C3C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5","KFCHUOBLEBHPLH-UHFFFAOYSA-N","372804",NA,"PDBC12707","648467","Present"
-"2,5,7-Trimethyl-3,4,6-trinitro-1H-indole","","","","","","","","","","","","","","","","","","","","2,5,7-Trimethyl-3,4,6-trinitro-1H-indole","","CC1=C2C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C(=C(N2)C)[N+](=O)[O-]","UOMKWAKTOFPUDL-UHFFFAOYSA-N","362915",NA,"PDBC12708","627390","Present"
-"2,5,8,11,16,19,22,25-Octathia-13,14,27,28-tetrazatricyclo[24.2.2.212,15]dotriaconta-1(28),12,14,26,29,31-hexaene","","","","","","","","","","","","","","","","","","","","2,5,8,11,16,19,22,25-Octathia-13,14,27,28-tetrazatricyclo[24.2.2.212,15]dotriaconta-1(28),12,14,26,29,31-hexaene","","C1CSCCSC2=NN=C(C=C2)SCCSCCSCCSC3=NN=C(C=C3)SCCS1","VIQOFKPZVOMBMC-UHFFFAOYSA-N","382158",NA,"PDBC12709","669606","Present"
-"2,5,8,13,16,19-Hexathia-10,11,21,22-tetrazatricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene","","","","","","","","","","","","","","","","","","","","2,5,8,13,16,19-Hexathia-10,11,21,22-tetrazatricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene","","C1CSC2=NN=C(C=C2)SCCSCCSC3=NN=C(C=C3)SCCS1","WSVPZSIKZFQSNA-UHFFFAOYSA-N","382157",NA,"PDBC12710","669605","Present"
-"2,5,8-Trimethyl-1H-[1,2,4]triazolo[1,2-a][1,2]benzodiazete-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","4,8,11-Trimethyl-2,4,6-triazatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-3,5-dione","","CC1=C2C(=C(C=C1)C)N3N2C(=O)N(C3=O)C","HFKXEQSWLWQYDQ-UHFFFAOYSA-N","391905",NA,"PDBC12711","691586","Present"
-"2,5,9,11-Tetramethyl-2,6-dihydro-1H-pyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazole, 1,2-dihydro-2,5,9,11-tetra- m...","","CC1=CC2=C(C=C1)NC3=C2C(=C4CN(C=CC4=C3C)C)C","LOCXAALEVBWMBX-UHFFFAOYSA-N","371688",NA,"PDBC12712","646127","Present"
-"2,5,9,12-Tetrathia-14,15-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene","","","","","","","","","","","","","","","","","","","","2,5,9,12-Tetrathia-14,15-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene","","C1CSCCSC2=NN=C(C=C2)SCCSC1","QEVNNLDUBMYMAE-UHFFFAOYSA-N","382156",NA,"PDBC12713","669604","Present"
-"2,5,9,12-Tetrathiabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15,16-dicarbonitrile","","","","","","","","","","","","","","","","","","","","5H-1,4,8,11-Benzotetrathiacyclotridecin- 13,14-dicarboni...","","C1CSCCSC2=C(C=C(C(=C2)C#N)C#N)SCCSC1","MWDZYSHIBZKMKC-UHFFFAOYSA-N","387185",NA,"PDBC12714","680721","Present"
-"2,5-Anhydro-4-deoxy-4-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1-(dimethyl acetal)-L-mannose","","","","","","","","","","","","","","","","","","","","1-[5-(Dimethoxymethyl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2C(OC(C2O)C(OC)OC)CO","LQORNWXDTZHUCA-UHFFFAOYSA-N","393725",NA,"PDBC12715","696243","Present"
-"2,5-Bis((4-methylphenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine","","","","","","","","","","","","","","","","","","","","2,5-Bis((4-methylphenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)C","UOZCDCMCXKXDBE-UHFFFAOYSA-N","386263",NA,"PDBC12716","678006","Present"
-"2,5-Bis((dimethylamino)methyl)cyclopentanone hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2,5-bis[(dimethylamino)methyl]-, dihydro...","","CN(C)CC1CCC(C1=O)CN(C)C.Cl","ZVXGOLVRKYRGHM-UHFFFAOYSA-N","368963",NA,"PDBC12717","131233","Present"
-"2,5-Bis(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylmethyl)-1,4-benzenediol","","","","","","","","","","","","","","","","","","","","2,5-Bis(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylmethyl)-1,4-benzenediol","","C1COCCOCCOCCOCCN1CC2=CC(=C(C=C2O)CN3CCOCCOCCOCCOCC3)O","SFQKUQBDBGPGDJ-UHFFFAOYSA-N","374797",NA,"PDBC12718","653043","Present"
-"2,5-Bis(1-aziridinyl)hydroquinone","","","","","","","","","","","","","","","","","","","","2,5-Bis(ethylamino)hydroquinone","","C1CN1C2=CC(=C(C=C2O)N3CC3)O","XPZMWTZEBALMMC-UHFFFAOYSA-N","94797",NA,"PDBC12719","3262","Present"
-"2,5-Bis(2,4,6-trimethylphenyl)benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2,5-Bis(2,4,6-trimethylphenyl)benzene-1,4-diol","","CC1=CC(=C(C(=C1)C)C2=CC(=C(C=C2O)C3=C(C=C(C=C3C)C)C)O)C","QLGVXKFPOKNNFD-UHFFFAOYSA-N","232016",NA,"PDBC12720","29018","Present"
-"2,5-Bis(2,4-dimethylphenyl)benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2,5-Bis(2,4-dimethylphenyl)benzene-1,4-diol","","CC1=CC(=C(C=C1)C2=CC(=C(C=C2O)C3=C(C=C(C=C3)C)C)O)C","FTGCTVWKHSDTEQ-UHFFFAOYSA-N","232011",NA,"PDBC12721","29013","Present"
-"2,5-Bis(2-chloro-2,2-difluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclohexanone","","","","","","","","","","","","","","","","","","","","2,5-Bis(2-chloro-2,2-difluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclohexanone","","C1CC(C(=O)CC1C(C(F)(F)F)(C(F)(F)Cl)O)C(C(F)(F)F)(C(F)(F)Cl)O","AGMRKTJBFHLLHW-UHFFFAOYSA-N","377627",NA,"PDBC12722","659206","Present"
-"2,5-Bis(2-methoxy-5-methylphenyl)-3-(phenylthio)furan","","","","","","","","","","","","","","","","","","","","2,5-Bis(2-methoxy-5-methylphenyl)-3-(phenylthio)furan","","CC1=CC(=C(C=C1)OC)C2=CC(=C(O2)C3=C(C=CC(=C3)C)OC)SC4=CC=CC=C4","OABJHTYWAHIBPJ-UHFFFAOYSA-N","369516",NA,"PDBC12723","641313","Present"
-"2,5-Bis(2-methoxy-5-methylphenyl)furan","","","","","","","","","","","","","","","","","","","","2,5-Bis(2-methoxy-5-methylphenyl)furan","","CC1=CC(=C(C=C1)OC)C2=CC=C(O2)C3=C(C=CC(=C3)C)OC","FHSSSHVNFJBOQL-UHFFFAOYSA-N","369517",NA,"PDBC12724","641314","Present"
-"2,5-Bis(2-phenylpropan-2-yl)benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","NSC33579","","CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2O)C(C)(C)C3=CC=CC=C3)O","ZWZHTSWRPYHCGO-UHFFFAOYSA-N","234170",NA,"PDBC12725","33579","Present"
-"2,5-Bis(2-thienyl)-3-(3-thienyl)thiophene","","","","","","","","","","","","","","","","","","","","2,5-Bis(2-thienyl)-3-(3-thienyl)thiophene","","C1=CSC(=C1)C2=CC(=C(S2)C3=CC=CS3)C4=CSC=C4","PKJBFYBPHBGGLX-UHFFFAOYSA-N","376722",NA,"PDBC12726","657768","Present"
-"2,5-Bis(3,4-dihydroxybenzylidene)cyclopentanone","","","","","","","","","","","","","","","","","","","","2,5-Bis-(3,4-dihydroxy-benzylidene)-cyclopentanone","","C1CC(=CC2=CC(=C(C=C2)O)O)C(=O)C1=CC3=CC(=C(C=C3)O)O","MJDXEGMXLDBXSV-FNCQTZNRSA-N","5468263",NA,"PDBC12727","666767","Present"
-"2,5-Bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole","","","","","","","","","","","","","","","","","","","","2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole","","C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C2=NN=C(S2)C3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]","ZQBFPTNBHLNCEN-UHFFFAOYSA-N","385374",NA,"PDBC12728","676536","Present"
-"2,5-Bis(4-bromophenyl)-3,4-dioxohexanedinitrile","","","","","","","","","","","","","","","","","","","","2,5-Bis(4-bromophenyl)-3,4-dioxohexanedinitrile","","C1=CC(=CC=C1C(C#N)C(=O)C(=O)C(C#N)C2=CC=C(C=C2)Br)Br","ZHYCZNYRBODWQV-UHFFFAOYSA-N","360297",NA,"PDBC12729","622332","Present"
-"2,5-Bis(4-chlorophenyl)-3,4-dioxohexanedioic acid","","","","","","","","","","","","","","","","","","","","2,5-Bis(4-chlorophenyl)-3,4-dioxohexanedioic acid","","C1=CC(=CC=C1C(C(=O)C(=O)C(C2=CC=C(C=C2)Cl)C(=O)O)C(=O)O)Cl","ZXNIDWWQGOKFMH-UHFFFAOYSA-N","359859",NA,"PDBC12730","621474","Present"
-"2,5-Bis(4-ethylphenyl)-3,6-dihydroxybenzo-1,4-quinone","","","","","","","","","","","","","","","","","","","","p-Benzoquinone, 2,5-bis(p-ethylphenyl)-3,6-dihydroxy-","","CCC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)CC)O","JTTAVDAEVCLLLX-UHFFFAOYSA-N","270944",NA,"PDBC12731","114126","Present"
-"2,5-Bis(4-hydroxybenzylidene)cyclopentanone","","","","","","","","","","","","","","","","","","","","2,5-Bis(4-hydroxybenzylidene)cyclopentanone","","C1CC(=CC2=CC=C(C=C2)O)C(=O)C1=CC3=CC=C(C=C3)O","YSEMBYWAAKOCKW-JOBJLJCHSA-N","1712706",NA,"PDBC12732","666766","Present"
-"2,5-Bis(5-ethylbenzoxazole-2-yl)hydroquinone","","","","","","","","","","","","","","","","","","","","2,5-Bis(5-ethylbenzoxazole-2-yl)hydroquinone","","CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3O)C4=NC5=C(O4)C=CC(=C5)CC)O","CFIFPXCCFUPTSL-UHFFFAOYSA-N","383810",NA,"PDBC12733","672371","Present"
-"2,5-Bis(6-methyl-2-benzoxazolyl)phenol","","","","","","","","","","","","","","","","","","","","2,5-Bis(6-methyl-2-benzoxazolyl)phenol","","CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C4=NC5=C(O4)C=C(C=C5)C)O","BLBAPADRSOTHJN-UHFFFAOYSA-N","383811",NA,"PDBC12734","672372","Present"
-"2,5-Bis(chloromercuri)furan","","","","","","","","","","","","","","","","","","","","2,5-Bis(chloromercuri)furan","","C1=C(OC(=C1)[Hg]Cl)[Hg]Cl","BVMMYNWZWDKHIS-UHFFFAOYSA-L","411698",NA,"PDBC12735","35563","Present"
-"2,5-Bis(chloromethyl)-p-xylene","","","","","","","","","","","","","","","","","","","","2,5-bis(chloromethyl)-p-xylene","","CC1=CC(=C(C=C1CCl)C)CCl","UYRPOMMBPQHVMN-UHFFFAOYSA-N","80530",NA,"PDBC12736","41890","Present"
-"2,5-Bis(diethoxyphosphorylmethyl)-1-methyl-pyrrole","","","","","","","","","","","","","","","","","","","","2,5-Bis(diethoxyphosphorylmethyl)-1-methyl-pyrrole","","CCOP(=O)(CC1=CC=C(N1C)CP(=O)(OCC)OCC)OCC","XRLHYAYXGOHCBR-UHFFFAOYSA-N","361925",NA,"PDBC12737","625399","Present"
-"2,5-Bis(hydroxymethyl)pyrrolidine-3,4-diol","","","","","","","","","","","","","","","","","","","","2(R), 5(R)-Bis(hydroxymethyl)-3(R), 4(R)-dihydroxypyrrol...","","C(C1C(C(C(N1)CO)O)O)O","PFYHYHZGDNWFIF-UHFFFAOYSA-N","1472",NA,"PDBC12738","624987","Present"
-"2,5-Bis(hydroxymethyl)pyrrolidine-3,4-diol;propan-2-ol","","","","","","","","","","","","","","","","","","","","2(R),5(R)-Bis(hydroxymethyl)-3(R),4(R)- dihydroxyprrolid...","","CC(C)O.C(C1C(C(C(N1)CO)O)O)O","AUXMLWPMEMRZTG-UHFFFAOYSA-N","361742",NA,"PDBC12739","624988","Present"
-"2,5-Bis(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC665625","","C1CCN(CC1)CC2CCC(C2=O)CN3CCCCC3.Cl","XWAVOHGDRIWKNU-UHFFFAOYSA-N","380179",NA,"PDBC12740","665625","Present"
-"2,5-Bis(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC667065","","C1CCN(C1)CC2CCC(C2=O)CN3CCCC3.Cl","OWSJIMNRXAFRJN-UHFFFAOYSA-N","381045",NA,"PDBC12741","667065","Present"
-"2,5-Bis(thiolan-1-ium-1-ylmethyl)furan;bromide","","","","","","","","","","","","","","","","","","","","NSC660330","","C1CC[S+](C1)CC2=CC=C(O2)C[S+]3CCCC3.[Br-]","KNAPSIGWKYXJRS-UHFFFAOYSA-M","378320",NA,"PDBC12742","660330","Present"
-"2,5-Bis(thiolan-1-ium-1-ylmethyl)thiophene;chloride","","","","","","","","","","","","","","","","","","","","NSC660326","","C1CC[S+](C1)CC2=CC=C(S2)C[S+]3CCCC3.[Cl-]","QGAWOBSZCJBANR-UHFFFAOYSA-M","378313",NA,"PDBC12743","660326","Present"
-"2,5-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,6-dioxa-2,5-diazacycloundecane","","","","","","","","","","","","","","","","","","","","2,5-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,6-dioxa-2,5-diazacycloundecane","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(OCCCCCO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C","YGOQJMDSXPOELG-UHFFFAOYSA-N","397942",NA,"PDBC12744","707021","Present"
-"2,5-Bis[2-(4-hydroxyphenyl)ethylamino]cyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2,5-Bis{[2-(4-hydroxyphenyl)ethyl]amino}cyclohexa-2,5-diene-1,4-dione","","C1=CC(=CC=C1CCNC2=CC(=O)C(=CC2=O)NCCC3=CC=C(C=C3)O)O","KXKNWTGRUGUIMD-UHFFFAOYSA-N","386839",NA,"PDBC12745","679562","Present"
-"2,5-Bis[3'-N-benzensulfonyl-(5'-methoxyindolyl)thiophene","","","","","","","","","","","","","","","","","","","","2,5-BIS[3'-N-BENZENSULFONYL-(5'-METHOXYINDOLYL)THIOPHENE","","COC1=CC2=C(C=C1)N(C=C2C3=CC=C(S3)C4=CN(C5=C4C=C(C=C5)OC)S(=O)(=O)C6=CC=CC=C6)S(=O)(=O)C7=CC=CC=C7","IOWUCNMGLYFJTI-UHFFFAOYSA-N","45027915",NA,"PDBC12746","740107","Present"
-"2,5-Bis[3-(triphenylphosphoranylidene)-1,4-cyclopentadienyl]-3,6-dibromo-1,4-benzoquinone","","","","","","","","","","","","","","","","","","","","2,5-Bis[3-(triphenylphosphoranylidene)-1,4-cyclopentadienyl]-3,6-dibromo-1,4-benzoquinone","","C1=CC=C(C=C1)P(=C2C=CC(=C2)C3=C(C(=O)C(=C(C3=O)Br)C4=CC(=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C=C4)Br)(C8=CC=CC=C8)C9=CC=CC=C9","OVNPXHPMVJHWIJ-UHFFFAOYSA-N","387505",NA,"PDBC12747","681315","Present"
-"2,5-Bis{[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]thio}-1,3,4-thiadiazole","","","","","","","","","","","","","","","","","","","","2,5-Bis{[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]thio}-1,3,4-thiadiazole","","C1=CC=C(C=C1)C2=NC(=C(O2)SC3=NN=C(S3)SC4=C(N=C(O4)C5=CC=CC=C5)C(F)(F)F)C(F)(F)F","PATOGSAKGSWIFZ-UHFFFAOYSA-N","362772",NA,"PDBC12748","627053","Present"
-"2,5-Di(1-naphthyl)-3,4-thiophenedicarboxylic acid","","","","","","","","","","","","","","","","","","","","2,5-Di(1-naphthyl)-3,4-thiophenedicarboxylic acid","","C1=CC=C2C(=C1)C=CC=C2C3=C(C(=C(S3)C4=CC=CC5=CC=CC=C54)C(=O)O)C(=O)O","FMSPZIOVCNYNDO-UHFFFAOYSA-N","363311",NA,"PDBC12749","628130","Present"
-"2,5-Di(pyrazol-1-yl)benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","1,4-Benzenediol, 2,5-bis(1-pyrazolyl)-","","C1=CN(N=C1)C2=CC(=C(C=C2O)N3C=CC=N3)O","NEKFXNXCGBONEV-UHFFFAOYSA-N","371593",NA,"PDBC12750","645987","Present"
-"2,5-Di-tert-amylhydroquinone","","","","","","","","","","","","","","","","","","","","santouar a","","CCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC)O","CZNRFEXEPBITDS-UHFFFAOYSA-N","6610",NA,"PDBC12751","455","Present"
-"2,5-Diamino-3-[(4-chlorophenyl)diazenyl]-7-methylthio-8-hydropyrazolo[1,5-a]py rimidine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","2,5-Diamino-3-[(4-chlorophenyl)diazenyl]-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile","","CSC1=C(C(=NC2=C(C(=NN21)N)N=NC3=CC=C(C=C3)Cl)N)C#N","UFUFIRWPMJJMFM-UHFFFAOYSA-N","384286",NA,"PDBC12752","673844","Present"
-"2,5-Diamino-3-[(4-methoxyphenyl)diazenyl]-7-methylthio-8-hydropyrazolo[1,5-a]p yrimidine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","2,5-Diamino-3-[(4-methoxyphenyl)diazenyl]-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile","","COC1=CC=C(C=C1)N=NC2=C3N=C(C(=C(N3N=C2N)SC)C#N)N","WBJJRZCWGRPEMA-UHFFFAOYSA-N","384287",NA,"PDBC12753","673845","Present"
-"2,5-Diamino-6-[2-(phosphonomethoxy)ethylamino]pyrimidine-4(3H)-one","","","","","","","","","","","","","","","","","","","","2,5-Diamino-6-[2-(phosphonomethoxy)ethylamino]pyrimidine-4(3H)-one","","C(COCP(=O)(O)O)NC1=C(C(=O)NC(=N1)N)N","OQZJUTCBVYTWKE-UHFFFAOYSA-N","135484993",NA,"PDBC12754","683330","Present"
-"2,5-Diaminochromeno[2,3,4-de]quinoline-3,6-dicarbonitrile","","","","","","","","","","","","","","","","","","","","diamino[?]dicarbonitrile","","C1=CC=C2C(=C1)C3=CC(=N)C(=C4C3=C(O2)C(=C(N4)N)C#N)C#N","HGDXRIZWCAFCMN-UHFFFAOYSA-N","389420",NA,"PDBC12755","685502","Present"
-"2,5-Dibenzyl-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2,5-Dibenzyl-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride","","CN(C)CC1(CCC(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3.Cl","QOZPHQOHBQSRLX-UHFFFAOYSA-N","368538",NA,"PDBC12756","639617","Present"
-"2,5-Dibenzyl-2-undecyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","2,5-Dibenzyl-2-undecyloctahydro-1H-pyrrolo[3,4-c]pyridin-2-ium bromide","","CCCCCCCCCCC[N+]1(CC2CCN(CC2C1)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]","HNMSEUUEKHOHFZ-UHFFFAOYSA-M","378731",NA,"PDBC12757","661832","Present"
-"2,5-Dibenzylthiopyrazine 1-oxide","","","","","","","","","","","","","","","","","","","","2,5-dibenzylthiopyrazine 1-oxide","","C1=CC=C(C=C1)CSC2=CN=C(C=[N+]2[O-])SCC3=CC=CC=C3","NDGMCJHJWJXRMY-UHFFFAOYSA-N","495612",NA,"PDBC12758","662188","Present"
-"2,5-Dibromo-3,4-dinitrothiophene","","","","","","","","","","","","","","","","","","","","NSC84661","","C1(=C(SC(=C1[N+](=O)[O-])Br)Br)[N+](=O)[O-]","AHGHPBPARMANQD-UHFFFAOYSA-N","257024",NA,"PDBC12759","84661","Present"
-"2,5-Dibromo-3,6-dimethylbenzene-1,4-diol;2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2,5-Dibromo-3,6-dimethylbenzene-1,4-diol;2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione","","CC1=C(C(=C(C(=C1Br)O)C)Br)O.CC1=C(C(=O)C(=C(C1=O)Br)C)Br","QPUPISPNAHNDHB-UHFFFAOYSA-N","270077",NA,"PDBC12760","112200","Present"
-"2,5-Dichloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) azobenzene","","","","","","","","","","","","","","","","","","","","2,5-Dichloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) a...","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=C(C=CC(=C2)Cl)Cl","YOLIPHNSVNCXLF-UHFFFAOYSA-N","365300",NA,"PDBC12761","632851","Present"
-"2,5-Dichloro-3,6-bis(4-methylphenyl)benzo-1,4-quinone","","","","","","","","","","","","","","","","","","","","2,5-Dichloro-3,6-bis(4-methylphenyl)benzo-1,4-quinone","","CC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)Cl)C3=CC=C(C=C3)C)Cl","KKRDPDNFDFDTRJ-UHFFFAOYSA-N","275178",NA,"PDBC12762","121838","Present"
-"2,5-Dichloro-3,6-bis-propionylamino-[1,4]benzoquinone","","","","","","","","","","","","","","","","","","","","2,5-Dichloro-3,6-bis-propionylamino-[1,4]benzoquinone","","CCC(=O)NC1=C(C(=O)C(=C(C1=O)Cl)NC(=O)CC)Cl","KKSCCSVQHNQDBX-UHFFFAOYSA-N","323616",NA,"PDBC12763","285233","Present"
-"2,5-Dichloro-3-((dichloroacetyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","2,5-Dichloro-3-((dichloroacetyl)amino)benzoic acid","","C1=C(C=C(C(=C1C(=O)O)Cl)NC(=O)C(Cl)Cl)Cl","DRRVSIJTVLIPMM-UHFFFAOYSA-N","367256",NA,"PDBC12764","636804","Present"
-"2,5-Dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]aniline","","","","","","","","","","","","","","","","","","","","2,5-Dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]aniline","","C1=CC=C2C(=C1)C(=CN2)C=NNC3=C(C=CC(=C3)Cl)Cl","RNHWDGMCSSNIBL-OCKHKDLRSA-N","135455348",NA,"PDBC12765","526671","Present"
-"2,5-Dihydroxy-3,4,6-trichlorophenyl)-thiazole]","","","","","","","","","","","","","","","","","","","","2,2'-bi[5-(2,5-dihydroxy-3,4,6-trichlorophenyl)-thiazole]","","C1=C(SC(=N1)C2=NC=C(S2)C3=C(C(=C(C(=C3Cl)O)Cl)Cl)O)C4=C(C(=C(C(=C4Cl)O)Cl)Cl)O","ZQCFBQTZZBNDAX-UHFFFAOYSA-N","406199",NA,"PDBC12766","724212","Present"
-"2,5-Dihydroxy-p-benzenediacetic acid","","","","","","","","","","","","","","","","","","","","GEO-01099","","C1=C(C(=CC(=C1O)CC(=O)O)O)CC(=O)O","MCLKERLHVBEZIW-UHFFFAOYSA-N","79628",NA,"PDBC12767","30144","Present"
-"2,5-Dimethoxy-5,6,8,8b-tetraphenyl-5H,8bH-thieno[3',4':3,4]pyrrolo[2,1-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","4,7-Dimethoxy-2,7,9,11-tetraphenyl-3,10-dithia-5,6-diazatricyclo[6.3.0.02,6]undeca-1(11),4,8-triene","","COC1=NN2C(C3=C(SC(=C3C2(S1)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)OC","PFUXIQNCCZTIBQ-UHFFFAOYSA-N","364075",NA,"PDBC12768","629714","Present"
-"2,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]aniline","","","","","","","","","","","","","","","","","","","","2,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]aniline","","CN(C)C1=C(C=C(C(=C1)OC)C=CC2=CC=NC3=CC=CC=C23)OC","WNRMQAWGIWTTME-KTKRTIGZSA-N","54599355",NA,"PDBC12769","268804","Present"
-"2,5-Dimethoxy-beta-methyl-beta-nitrostyrene","","","","","","","","","","","","","","","","","","","","1-(2,5-Dimethoxyphenyl)-2-nitropropene","","CC(=CC1=C(C=CC(=C1)OC)OC)[N+](=O)[O-]","MQFREHNTGKNSRH-VURMDHGXSA-N","17384199",NA,"PDBC12770","151247","Present"
-"2,5-Dimethoxyamphetamine hydrochloride","","","","","","","","","","","","","","","","","","","","CAS-24973-25-9","","CC(CC1=C(C=CC(=C1)OC)OC)N.Cl","OLBMBFHNGDUGST-UHFFFAOYSA-N","62786",NA,"PDBC12771","367445","Present"
-"2,5-Dimethoxybenzylidene pinacolone","","","","","","","","","","","","","","","","","","","","2,5-Dimethoxybenzylidene pinacolone","","CC(C)(C)C(=O)C=CC1=C(C=CC(=C1)OC)OC","DSNCWEGRIPVGQD-RMKNXTFCSA-N","5932268",NA,"PDBC12772","643024","Present"
-"2,5-Dimethyl-1,4-benzoquinone","","","","","","","","","","","","","","","","","","","","Phlorone","","CC1=CC(=O)C(=CC1=O)C","MYKLQMNSFPAPLZ-UHFFFAOYSA-N","8718",NA,"PDBC12773","15309","Present"
-"2,5-Dimethyl-1H-imidazo[4,5-d]pyridazin-4-one","","","","","","","","","","","","","","","","","","","","2,5-Dimethyl-1H-imidazo[4,5-d]pyridazin-4-one","","CC1=NC2=C(N1)C=NN(C2=O)C","IBZMUJGEKSWOKZ-UHFFFAOYSA-N","135435949",NA,"PDBC12774","690585","Present"
-"2,5-Dimethyl-1H-imidazo[4,5-d]pyridazine-4-thione","","","","","","","","","","","","","","","","","","","","2,5-Dimethyl-1H-imidazo[4,5-d]pyridazine-4-thione","","CC1=NC2=C(N1)C=NN(C2=S)C","FEXJGPGUZUNNHR-UHFFFAOYSA-N","135460189",NA,"PDBC12775","690587","Present"
-"2,5-Dimethyl-3,4-dibromothiophene 1-oxide","","","","","","","","","","","","","","","","","","","","2,5-Dimethyl-3,4-dibromothiophene 1-oxide","","CC1=C(C(=C(S1=O)C)Br)Br","ALCQYXZUNIJYFT-UHFFFAOYSA-N","399696",NA,"PDBC12776","710614","Present"
-"2,5-Dimethyl-3,4-dihydrocyclopenta[e][1,2,4]triazine-6,6,7,7-tetracarbonitrile","","","","","","","","","","","","","","","","","","","","2H-Cyclopenta[e]-1,2,4-triazine-6,6,7,7-tetracarbonitril...","","CC1=C2C(=NN(CN2)C)C(C1(C#N)C#N)(C#N)C#N","JVIYOJRAKKTXDR-UHFFFAOYSA-N","387779",NA,"PDBC12777","681852","Present"
-"2,5-Dimethyl-3,6-diaziridinyl-1,4-benzoquinone","","","","","","","","","","","","","","","","","","","","2,5-Dimethyl-3,6-diaziridinyl-1,4-benzoquinone","","CC1=C(C(=O)C(=C(C1=O)N2CC2)C)N3CC3","IWVCOLOPRNYONP-UHFFFAOYSA-N","159854",NA,"PDBC12778","646714","Present"
-"2,5-Dimethyl-3-phenyl-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","3,7-Dimethyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(N2C(=C1C#N)N=NN(C2=O)C)C3=CC=CC=C3","XWPAERWARDJSEV-UHFFFAOYSA-N","396108",NA,"PDBC12779","701656","Present"
-"2,5-Dimethyl-3H-[1,3]diazepino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","2,5-Dimethyl-3H-[1,3]diazepino[1,2-a]benzimidazole","","CC1=NC2=NC3=CC=CC=C3N2C(=CC1)C","UAURZPISUFTHHL-UHFFFAOYSA-N","387895",NA,"PDBC12780","682126","Present"
-"2,5-Dimethyl-5-phenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one","","","","","","","","","","","","","","","","","","","","2,5-Dimethyl-5-phenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one","","CC1=NC(=O)C(N1CCC2=CC=CC=C2)(C)C3=CC=CC=C3","UEYIERRKYIZCGI-UHFFFAOYSA-N","387714",NA,"PDBC12781","681743","Present"
-"2,5-Dimethyl-6,7,8,8a-tetraphenyl-2,3-dihydro-1(8aH)-indolizinone","","","","","","","","","","","","","","","","","","","","2,5-Dimethyl-6,7,8,8a-tetraphenyl-2,3-dihydro-1(8aH)-indolizinone","","CC1CN2C(=C(C(=C(C2(C1=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C","FAKMIAZIJZGHPT-UHFFFAOYSA-N","367861",NA,"PDBC12782","638028","Present"
-"2,5-Dimethyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine","","","","","","","","","","","","","","","","","","","","2,5-Dimethyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine","","CC1=NC2=CN(N=C(C2=N1)SC)C","GZHONZPRZPQLKN-UHFFFAOYSA-N","391420",NA,"PDBC12783","690592","Present"
-"2,5-Dimethyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one","","","","","","","","","","","","","","","","","","","","2,5-Dimethyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one","","CC1=C2C(=C(N1)C3=CC=CC=C3)N=C(OC2=O)C","ABOYUJYHSRKRAH-UHFFFAOYSA-N","384423",NA,"PDBC12784","674200","Present"
-"2,5-Dimethyl-N-(4-methylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","STL405613","","CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)C","RXODHAOSXMZWRZ-UHFFFAOYSA-N","241732",NA,"PDBC12785","49565","Present"
-"2,5-Diphenyl-1,4-dithiin","","","","","","","","","","","","","","","","","","","","2,5-Diphenyl-1,4-dithiin","","C1=CC=C(C=C1)C2=CSC(=CS2)C3=CC=CC=C3","HHRGXOGBUBSFLD-UHFFFAOYSA-N","245172",NA,"PDBC12786","56805","Present"
-"2,5-Diphenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline","","","","","","","","","","","","","","","","","","","","2,5-Diphenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline","","C1C(=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4)C5=CC=CC=C5","ALCAMMCRKMYAHH-UHFFFAOYSA-N","399102",NA,"PDBC12787","709518","Present"
-"2,5-Diphenyl-3,4-dihydrodiazocino[5,6-b]quinoxaline","","","","","","","","","","","","","","","","","","","","2,5-Diphenyl-3,4-dihydrodiazocino[5,6-b]quinoxaline","","C1=CC=C(C=C1)C2=CC3=NC4=CC=CC=C4N=C3C=C(NN2)C5=CC=CC=C5","WBJFQJHFRJFRRJ-UHFFFAOYSA-N","439049",NA,"PDBC12788","707083","Present"
-"2,5-Diphenyl-3-methyl-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Methyl-4-oxo-3,7-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=CC=C3)C#N)C4=CC=CC=C4","BBWVFXGUFCHDFF-UHFFFAOYSA-N","398640",NA,"PDBC12789","708790","Present"
-"2,5-Diphenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","2,5-Diphenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","C1CC2C(CC1C3=CC=CC=C3)C4C(C5=C2C6=CC=CC=C6N5)C(=O)N(C4=O)C7=CC=CC=C7","YKOVYEGTSACEOH-UHFFFAOYSA-N","362440",NA,"PDBC12790","626389","Present"
-"2,5-Diphenyl-4H-1,3-thiazin-4-one","","","","","","","","","","","","","","","","","","","","2,5-Diphenyl-4H-1,3-thiazin-4-one","","C1=CC=C(C=C1)C2=CSC(=NC2=O)C3=CC=CC=C3","UIWONWUWDYJFOI-UHFFFAOYSA-N","370905",NA,"PDBC12791","644643","Present"
-"2,5-Dipyridin-2-yl-1,3,4-thiadiazole","","","","","","","","","","","","","","","","","","","","2,5-Dipyridin-2-yl-1,3,4-thiadiazole","","C1=CC=NC(=C1)C2=NN=C(S2)C3=CC=CC=N3","BGORQFGAWSNEBU-UHFFFAOYSA-N","267294",NA,"PDBC12792","106461","Present"
-"2,5-Dipyrrolizino-5H-[1]benzopyrano[4,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","2,5-Di(pyrrolidin-1-yl)-5h-chromeno[4,3-d]pyrimidine","","C1CCN(C1)C2C3=CN=C(N=C3C4=CC=CC=C4O2)N5CCCC5","UXKPJNPPAFBDIM-UHFFFAOYSA-N","403283",NA,"PDBC12793","717978","Present"
-"2,5-Methano-1H-[1,3]diazepino[1,2-a]benzimidazole, 2,3,4,5-tetrahydro-","","","","","","","","","","","","","","","","","","","","2,5-Methano-1H-[1,3]diazepino[1,2-a]benzimidazole, 2,3,4,5-tetrahydro-","","C1CC2CC1NC3=NC4=CC=CC=C4N23","XNFOQALYCRDBLT-UHFFFAOYSA-N","379472",NA,"PDBC12794","664026","Present"
-"2,5-Methano-5H,7H-pyrimido[6,1-b][1,5,3]dioxazepine-7,9(8H)-dione, 2,3-dihydro-11-hydroxy-3-(hydroxymethyl)-10-methyl-","","","","","","","","","","","","","","","","","","","","12-Hydroxy-10-(hydroxymethyl)-6-methyl-8,11-dioxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione","","CC1=C2N(C3C(C(O2)C(O3)CO)O)C(=O)NC1=O","SZLOGICZRVBRQC-UHFFFAOYSA-N","375574",NA,"PDBC12795","655363","Present"
-"2,5-Methano-7H-inden-7-one, 6-diazooctahydro-","","","","","","","","","","","","","","","","","","","","2,5-Methano-7H-inden-7-one, 6-diazooctahydro-","","C1C2CC3CC1C(C2)C(=O)C3=[N+]=[N-]","CDKYCXBMVDJPOJ-UHFFFAOYSA-N","372959",NA,"PDBC12796","648746","Present"
-"2,5-Pentanediylbis(oxy-1,2-phenylene)]bis-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","NSC741912","","C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)OCCCCCOC4=CC=CC=C4C5=NC6=CC=CC=C6N5","HXJQVIKMURPMLM-UHFFFAOYSA-N","25255578",NA,"PDBC12797","741912","Present"
-"2,5-Piperazinedione, 1-[[1-(2-pyrrolidinylcarbonyl)-2-pyrrolidinyl]carbonyl]-","","","","","","","","","","","","","","","","","","","","2,5-Piperazinedione, 1-[[1-(2-pyrrolidinylcarbonyl)-2-pyrrolidinyl]carbonyl]-","","C1CC(NC1)C(=O)N2CCCC2C(=O)N3CC(=O)NCC3=O","CEIVBWRYMQRQJR-UHFFFAOYSA-N","381836",NA,"PDBC12798","668909","Present"
-"2,5-Piperazinedithione","","","","","","","","","","","","","","","","","","","","Dithiopiperazine","","C1C(=S)NCC(=S)N1","WZZNXLLUTNONRL-UHFFFAOYSA-N","3004056",NA,"PDBC12799","624856","Present"
-"2,5-Pyrimidinetriamine, 6-chloro-N(4)-[[3-(3-phenylpropyl)-1-(hydroxymethyl)cyclobutyl]methyl]-","","","","","","","","","","","","","","","","","","","","2,4,5-Pyrimidinetriamine, 6-chloro-N(4)-[[3-(3- phenylpr...","","C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)CCCC3=CC=CC=C3.Cl","RJWXBJRXWNQZFG-UHFFFAOYSA-N","393616",NA,"PDBC12800","695806","Present"
-"2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-","","","","","","","","","","","","","","","","","","","","2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-","","C1CC(=O)N(C1=O)CNC2=CC3=C(C=C2)OC4=CC=CC=C4S3","OATLCDUIEUHONI-UHFFFAOYSA-N","398018",NA,"PDBC12801","707091","Present"
-"2,5-Tri-O-acetyl-1-S-dimethylarsino-1-thio-D-ribose","","","","","","","","","","","","","","","","","","","","2,3,5-tri-O-acetyl-1-S-dimethylarsino-1-thio-D-ribose","","CC(=O)OCC1C(C(C(O1)S[As](C)C)OC(=O)C)OC(=O)C","SADBBJNFJLFSMU-UHFFFAOYSA-N","24203221",NA,"PDBC12802","727220","Present"
-"2,5-bis(6'-bromo-3'-indolyl)piperazine","","","","","","","","","","","","","","","","","","","","2,5-bis(6'-bromo-3'-indolyl)piperazine","","C1C(NCC(N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br","MWNHJASCQSIGAO-FIWHBWSRSA-N","6711899",NA,"PDBC12803","646024","Present"
-"2,5:6,8-Tri-O-isopropylidene-alpha-L-xylo-D-threo-oct-4-ulo-4,7-furanose","","","","","","","","","","","","","","","","","","","","2,3:4,5:6,8-Tri-O-isopropylidene-.alpha.-L-xylo-D-threo-...","","CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C4C(OC(O4)(C)C)CO)C","AEXMLOVBBGJYHK-HNXNKRHBSA-N","395854",NA,"PDBC12804","700857","Present"
-"2,5:6,8-Tri-O-isopropylidene-alpha-L-xylo-L-threo-oct-4-ulo-4,7-furanose","","","","","","","","","","","","","","","","","","","","2,3:4,5:6,8-Tri-O-isopropylidene-.alpha.-L-xylo-L-threo-...","","CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C4C(OC(O4)(C)C)CO)C","AEXMLOVBBGJYHK-QWIAZOOFSA-N","395853",NA,"PDBC12805","700856","Present"
-"2,5a-Dihydroxychromeno[2,3-b]chromen-12-one","","","","","","","","","","","","","","","","","","","","2,5a-Dihydroxychromeno[2,3-b]chromen-12-one","","C1=CC=C2C(=C1)C=C3C(=O)C4=C(C=CC(=C4)O)OC3(O2)O","JNGVFEDIMXTEJH-UHFFFAOYSA-N","388321",NA,"PDBC12806","683056","Present"
-"2,6,11,15,20,24-Hexathia-8,9,17,18,26,27-hexazatetracyclo[23.2.2.27,10.216,19]tritriaconta-1(27),7,9,16,18,25,28,30,32-nonaene","","","","","","","","","","","","","","","","","","","","2,6,11,15,20,24-Hexathia-8,9,17,18,26,27-hexazatetracyclo[23.2.2.27,10.216,19]tritriaconta-1(27),7,9,16,18,25,28,30,32-nonaene","","C1CSC2=NN=C(C=C2)SCCCSC3=NN=C(C=C3)SCCCSC4=NN=C(C=C4)SC1","MZONCMATLKIPSM-UHFFFAOYSA-N","380479",NA,"PDBC12807","666079","Present"
-"2,6,11,15-Tetrathia-8,9,17,18-tetrazatricyclo[14.2.2.27,10]docosa-1(18),7,9,16,19,21-hexaene","","","","","","","","","","","","","","","","","","","","2,6,11,15-Tetrathia-8,9,17,18-tetrazatricyclo[14.2.2.27,10]docosa-1(18),7,9,16,19,21-hexaene","","C1CSC2=NN=C(C=C2)SCCCSC3=NN=C(C=C3)SC1","OVRBXEVUIIIJNU-UHFFFAOYSA-N","380480",NA,"PDBC12808","666080","Present"
-"2,6,12,16-Tetrakis[(2,4,6-trimethylphenyl)sulfonyl]-1,7,11,17-tetraoxa-2,6,12,16-tetrazacycloicosane","","","","","","","","","","","","","","","","","","","","2,6,12,16-Tetrakis[(2,4,6-trimethylphenyl)sulfonyl]-1,7,11,17-tetraoxa-2,6,12,16-tetrazacycloicosane","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCN(OCCCON(CCCN(OCCCO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)S(=O)(=O)C4=C(C=C(C=C4C)C)C)S(=O)(=O)C5=C(C=C(C=C5C)C)C)C","ODPAHDDTSVFCSQ-UHFFFAOYSA-N","397943",NA,"PDBC12809","707022","Present"
-"2,6,14,18-Tetrazatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene","","","","","","","","","","","","","","","","","","","","2,6,14,18-Tetrazatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene","","C1CNC2=CC=CC=CC2=NCCCN=C3C=CC=CC=C3NC1","AHHZSEKYEKCZIA-UHFFFAOYSA-N","358339",NA,"PDBC12810","618304","Present"
-"2,6,14-Trimethyl-10-methylene-9-(3-methyl-pent-4-enyl)-pentadeca-2,6-diene","","","","","","","","","","","","","","","","","","","","2,10,14-trimethyl-6-methylene-7-(3'-methylpent-1'enyl)pe...","","CC(C)CCCC(=C)C(CCC(C)C=C)CC=C(C)CCC=C(C)C","QNCOYEQQDOUCMW-HAVVHWLPSA-N","5471131",NA,"PDBC12811","708945","Present"
-"2,6,14-Trimethyl-10-methylene-9-(3-methylpent-4-enyl)-pentadec-6E-ene","","","","","","","","","","","","","","","","","","","","2,10,14-trimethyl-6-methylene-7-(3'-methylpent-1'-enyl) ...","","CC(C)CCCC(=CCC(CCC(C)C=C)C(=C)CCCC(C)C)C","BSXYLMVBPPIDSG-HAVVHWLPSA-N","5471130",NA,"PDBC12812","708944","Present"
-"2,6,3,5-Ethanediylidenepentaleno(1,6-bc)pyrrole-2,6a(1H,2aH)-diamine, hexahydro-N,N',1-tris(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","2,6,3,5-Ethanediylidenepentaleno[1,6-bc]pyrrole- 2,6a(1H...","","C1C2C3C4C1C5C2C6(C3C4C5(N6CC7=CC=CC=C7)NCC8=CC=CC=C8)NCC9=CC=CC=C9","XJBLVGYTMDTSJO-KDXRBOGYSA-N","385839",NA,"PDBC12813","677236","Present"
-"2,6,6-Trichloro-7-methylimidazo[1,2-a]pyrimidin-5(6H)-one","","","","","","","","","","","","","","","","","","","","2,6,6-Trichloro-7-methylimidazo[1,2-a]pyrimidin-5(6H)-one","","CC1=NC2=NC(=CN2C(=O)C1(Cl)Cl)Cl","WGQGXLXAMSHIJO-UHFFFAOYSA-N","379150",NA,"PDBC12814","663551","Present"
-"2,6,6-Trimethyltetrahydropyran-2,5-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","Cineolic acid","","CC1(C(CCC(O1)(C)C(=O)O)C(=O)O)C","KTSCHRREMZDLIP-UHFFFAOYSA-N","392705",NA,"PDBC12815","693422","Present"
-"2,6,7-Tetrabromo-3,7-dimethyl-1-octanol","","","","","","","","","","","","","","","","","","","","2,3,6,7-tetrabromo-3,7-dimethyl-1-octanol","","CC(C)(C(CCC(C)(C(CO)Br)Br)Br)Br","KNNMIDQUZTUBJU-UHFFFAOYSA-N","379049",NA,"PDBC12816","662819","Present"
-"2,6,7-Tetramethoxy-12,12a-dihydro-9H,11H-9a-aza-cyclopenta[b]triphenylene-10,13-dione","","","","","","","","","","","","","","","","","","","","2,3,6,7-Tetramethoxy-12,12a-dihydro-9H,11H-9a-aza-cyclop...","","COC1=C(C=C2C(=C1)C3=C(C4=CC(=C(C=C24)OC)OC)C(=O)C5CCC(=O)N5C3)OC","OFQHMVDOZPGFQM-UHFFFAOYSA-N","400635",NA,"PDBC12817","712822","Present"
-"2,6,7-Trichloro-7-methyl-3-methylideneoct-1-ene","","","","","","","","","","","","","","","","","","","","2,6,7-Trichloro-7-methyl-3-methylideneoct-1-ene","","CC(C)(C(CCC(=C)C(=C)Cl)Cl)Cl","DMHZLBNRKGXNIJ-UHFFFAOYSA-N","382931",NA,"PDBC12818","670808","Present"
-"2,6,7-Trihydroxy-9-methylxanthen-3-one","","","","","","","","","","","","","","","","","","","","2,6,7-trihydroxy-9-methyl-3H-xanthen-3-one","","CC1=C2C=C(C(=O)C=C2OC3=CC(=C(C=C13)O)O)O","TZVNNUHRZXQCHM-UHFFFAOYSA-N","72721",NA,"PDBC12819","5426","Present"
-"2,6,9,13-Tetrathiabicyclo[12.4.0]octadecane","","","","","","","","","","","","","","","","","","","","2,6,9,13-Tetrathiabicyclo[12.4.0]octadecane","","C1CCC2C(C1)SCCCSCCSCCCS2","FXFGLYRNCVPDND-UHFFFAOYSA-N","373827",NA,"PDBC12820","650790","Present"
-"2,6,9a-Triaza-9aH-benz[cd]azulene-7,9(6H,8H)-dione","","","","","","","","","","","","","","","","","","","","1,3,9-Triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10,12-dione","","C1C(=O)NC2=CC=CC3=C2N(C1=O)C=N3","BZXHCOXTFOFMPI-UHFFFAOYSA-N","393555",NA,"PDBC12821","695625","Present"
-"2,6-Bis((2-aminophenyl)thio)benzonitrile","","","","","","","","","","","","","","","","","","","","2,6-Bis((2-aminophenyl)thio)benzonitrile","","C1=CC=C(C(=C1)N)SC2=C(C(=CC=C2)SC3=CC=CC=C3N)C#N","SGIVCRZHRFMBSI-UHFFFAOYSA-N","386900",NA,"PDBC12822","679800","Present"
-"2,6-Bis(1-phenylethylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","2,6-Bis(1-phenylethylidene)cyclohexanone","","CC(=C1CCCC(=C(C)C2=CC=CC=C2)C1=O)C3=CC=CC=C3","KSRIHQAATHFAEP-NWILIBCHSA-N","3004411",NA,"PDBC12823","650962","Present"
-"2,6-Bis(2-(2-(hydroxymethyl)phenyl)ethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone","","","","","","","","","","","","","","","","","","","","2,6-Bis(2-(2-(hydroxymethyl)phenyl)ethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone","","C1=CC=C(C(=C1)CCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CCC5=CC=CC=C5CO)CO","KLHHGVWDOVNNIB-UHFFFAOYSA-N","374805",NA,"PDBC12824","653142","Present"
-"2,6-Bis(2-chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)cyclohexanone","","","","","","","","","","","","","","","","","","","","2,6-Bis(2-chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)cyclohexanone","","C1CC(C(=O)C(C1)C(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","QKONRKQREILPSO-UHFFFAOYSA-N","377632",NA,"PDBC12825","659211","Present"
-"2,6-Bis(2-hydroxy-3-methyl-5-tert-butylbenzyl)-4-tert-butylphenol","","","","","","","","","","","","","","","","","","","","2,6-Bis(2-hydroxy-3-methyl-5-tert-butylbenzyl)-4-tert-butylphenol","","CC1=CC(=CC(=C1O)CC2=CC(=CC(=C2O)CC3=C(C(=CC(=C3)C(C)(C)C)C)O)C(C)(C)C)C(C)(C)C","NMNJJUOTJDCEPR-UHFFFAOYSA-N","366256",NA,"PDBC12826","634604","Present"
-"2,6-Bis(2-phenylethyl)-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide","","","","","","","","","","","","","","","","","","","","1,1-dioxo-2,6-diphenethyl-1,2,6-thiadiazinane-3,5-dione","","C1C(=O)N(S(=O)(=O)N(C1=O)CCC2=CC=CC=C2)CCC3=CC=CC=C3","PVYWPEOGKAMSAS-UHFFFAOYSA-N","374621",NA,"PDBC12827","652590","Present"
-"2,6-Bis(3,4-dihydroxybenzylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","RDS-1158","","C1CC(=CC2=CC(=C(C=C2)O)O)C(=O)C(=CC3=CC(=C(C=C3)O)O)C1","JZODVJPLOFJTJZ-VOMDNODZSA-N","5467476",NA,"PDBC12828","652890","Present"
-"2,6-Bis(3,4-dimethoxybenzylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","Go-Y032","","COC1=C(C=C(C=C1)C=C2CCCC(=CC3=CC(=C(C=C3)OC)OC)C2=O)OC","YOTDZZKBJHGVNA-KLCVKJMQSA-N","1714173",NA,"PDBC12829","751465","Present"
-"2,6-Bis(3-ethylureido)pyridine","","","","","","","","","","","","","","","","","","","","2,6-Bis(3-ethylureido)pyridine","","CCNC(=O)NC1=NC(=CC=C1)NC(=O)NCC","NBUKIZFUAZCWKD-UHFFFAOYSA-N","376252",NA,"PDBC12830","656959","Present"
-"2,6-Bis(3-isocyanato-4-methylphenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione","","","","","","","","","","","","","","","","","","","","2,6-Bis(3-isocyanato-4-methylphenyl)-1,5-bis(4-methoxyphenyl)-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione","","CC1=C(C=C(C=C1)N2C(N3C(=O)N(C(N3C2=O)C4=CC=C(C=C4)OC)C5=CC(=C(C=C5)C)N=C=O)C6=CC=C(C=C6)OC)N=C=O","VOIIMXSUAHAOAY-UHFFFAOYSA-N","386659",NA,"PDBC12831","679185","Present"
-"2,6-Bis(4-chlorobenzylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","NSC54916","","C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","MNFGLQYSNLSOHP-UNZYHPAISA-N","1551008",NA,"PDBC12832","54916","Present"
-"2,6-Bis(4-fluoro-3-(hydroxy(oxido)amino)phenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione","","","","","","","","","","","","","","","","","","","","2,6-Bis(4-fluoro-3-nitrophenyl)-1,5-bis(4-methoxyphenyl)-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione","","COC1=CC=C(C=C1)C2N(C(=O)N3N2C(=O)N(C3C4=CC=C(C=C4)OC)C5=CC(=C(C=C5)F)[N+](=O)[O-])C6=CC(=C(C=C6)F)[N+](=O)[O-]","GLCKNHHVKAHVQM-UHFFFAOYSA-N","387872",NA,"PDBC12833","682087","Present"
-"2,6-Bis(4-fluorophenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione","","","","","","","","","","","","","","","","","","","","2,6-Bis(4-fluorophenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione","","COC1=CC=C(C=C1)C2N(C(=O)N3N2C(=O)N(C3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F","AUEFFOBBENIKBB-UHFFFAOYSA-N","387871",NA,"PDBC12834","682086","Present"
-"2,6-Bis(4-hydroxy-3-(1-piperidinylmethyl)benzylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","2,6-Bis(4-hydroxy-3-(1-piperidinylmethyl)benzylidene)cyclohexanone","","C1CCN(CC1)CC2=C(C=CC(=C2)C=C3CCCC(=CC4=CC(=C(C=C4)O)CN5CCCCC5)C3=O)O","RQRCECSLBNENFG-BFNWXZRRSA-N","6052863",NA,"PDBC12835","683833","Present"
-"2,6-Bis(4-methoxyphenyl)-3,5-dimethyl-1-nitroso-4-piperidinone","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 2,6-bis(4-methoxyphenyl)-3,5-dimethyl- 1...","","CC1C(N(C(C(C1=O)C)C2=CC=C(C=C2)OC)N=O)C3=CC=C(C=C3)OC","KYFMXVBBZSFPFK-UHFFFAOYSA-N","362604",NA,"PDBC12836","626734","Present"
-"2,6-Bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one","","","","","","","","","","","","","","","","","","","","ChemDiv3_007937","","CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC","RVYZVGKIODSCSZ-UHFFFAOYSA-N","367137",NA,"PDBC12837","636588","Present"
-"2,6-Bis(4-methoxyphenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","1,3-Bis(4-methoxyphenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide","","COC1=CC=C(C=C1)C2=NN(C[N+](=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4.[Br-]","DVWWYBZQHHGIHW-UHFFFAOYSA-M","376161",NA,"PDBC12838","656674","Present"
-"2,6-Bis(4-methylsulfonylphenyl)-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol","","","","","","","","","","","","","","","","","","","","2,6-Bis(4-methylsulfonylphenyl)-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol","","CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC(=C(C(=C4)C5=CC=C(C=C5)S(=O)(=O)C)[O-])C6=CC=C(C=C6)S(=O)(=O)C)C7=CC=C(C=C7)S(=O)(=O)C","DZDWXVZMWRRQTJ-UHFFFAOYSA-N","370127",NA,"PDBC12839","642719","Present"
-"2,6-Bis(6-isocyanatohexyl)-3,7-diphenyltetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione","","","","","","","","","","","","","","","","","","","","2,6-Bis(6-isocyanatohexyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione","","C1=CC=C(C=C1)C2N(C(=O)N3N2C(=O)N(C3C4=CC=CC=C4)CCCCCCN=C=O)CCCCCCN=C=O","QRTFPCQLDITABX-UHFFFAOYSA-N","386658",NA,"PDBC12840","679184","Present"
-"2,6-Bis(S)-4-isopropyloxazolin-2-ylpyridine","","","","","","","","","","","","","","","","","","","","NSC649113","","CC(C)C1COC(=N1)C2=NC(=CC=C2)C3=NC(CO3)C(C)C","CSGQGLBCAHGJDR-GICMACPYSA-N","373165",NA,"PDBC12841","649113","Present"
-"2,6-Bis(benzylamino)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2,6-Bis(benzylamino)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile","","C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC(=CC=C4)O)C#N","XGQDMYPMBALAAI-UHFFFAOYSA-N","11553772",NA,"PDBC12842","734406","Present"
-"2,6-Bis(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2,6-Bis(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile","","C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C#N","PMRFLLWOUDZIAB-UHFFFAOYSA-N","11503312",NA,"PDBC12843","734409","Present"
-"2,6-Bis(benzylamino)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2,6-Bis(benzylamino)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile","","C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)O)C#N","JVPMXDXWDCXZEY-UHFFFAOYSA-N","135453114",NA,"PDBC12844","734407","Present"
-"2,6-Bis(bromomethyl)-3-methyl-7H-imidazo[4,5-g]quinazoline-4,8,9-trione","","","","","","","","","","","","","","","","","","","","2,6-Bis(bromomethyl)-3-methyl-7H-imidazo[4,5-g]quinazoline-4,8,9-trione","","CN1C(=NC2=C1C(=O)C3=C(C2=O)C(=O)NC(=N3)CBr)CBr","MQCJZNXFIZZJBD-UHFFFAOYSA-N","135503401",NA,"PDBC12845","622242","Present"
-"2,6-Bis(ethylaminoacetylamino)-9,10-anthraquinone","","","","","","","","","","","","","","","","","","","","2,6-Bis(ethylaminoacetylamino)-9,10-anthraquinone","","CCNCC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CNCC","OWIKGBYLJUIGMT-UHFFFAOYSA-N","355146",NA,"PDBC12846","608329","Present"
-"2,6-Bis(piperidin-1-ylmethyl)cyclohexan-1-one;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC650464","","C1CCN(CC1)CC2CCCC(C2=O)CN3CCCCC3.Br","IDZROKRVSDXGNW-UHFFFAOYSA-N","373669",NA,"PDBC12847","650464","Present"
-"2,6-Bis(piperidin-1-ylmethyl)cyclohexanone","","","","","","","","","","","","","","","","","","","","Cyclohexanone, 2,6-bis(piperidinomethyl)-","","C1CCN(CC1)CC2CCCC(C2=O)CN3CCCCC3","UZXQQNLALYSWNF-UHFFFAOYSA-N","236587",NA,"PDBC12848","39202","Present"
-"2,6-Bis-(4-bromo-benzylidene)-cyclohexanone","","","","","","","","","","","","","","","","","","","","NSC632831","","C1CC(=CC2=CC=C(C=C2)Br)C(=O)C(=CC3=CC=C(C=C3)Br)C1","HXRSOYCNABLYMF-UNZYHPAISA-N","5716584",NA,"PDBC12849","632831","Present"
-"2,6-Bis-(4-chloro-phenyl)-1-cyano-4-oxo-cyclohexanecarboxyli c acid amide","","","","","","","","","","","","","","","","","","","","2,6-Bis-(4-chloro-phenyl)-1-cyano-4-oxo-cyclohexanecarbo...","","C1C(C(C(CC1=O)C2=CC=C(C=C2)Cl)(C#N)C(=O)N)C3=CC=C(C=C3)Cl","KNGMLVWHXKFMFO-UHFFFAOYSA-N","12423518",NA,"PDBC12850","737603","Present"
-"2,6-Bis-(dimethylaminomethyl)-cyclohexanone dihydrochloride","","","","","","","","","","","","","","","","","","","","NSC38525///Cyclohexanone, 2,6-bis[(dimethylamino)methyl]-, dihydroc...","","CN(C)CC1CCCC(C1=O)CN(C)C.Cl","JKDMLBMSEBGSQF-UHFFFAOYSA-N","358899",NA,"PDBC12851","38525///619042","Present"
-"2,6-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,7,2,6-dioxadiazecane","","","","","","","","","","","","","","","","","","","","2,6-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,7,2,6-dioxadiazecane","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCN(OCCCO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C","IJDFHHUKCZWKGH-UHFFFAOYSA-N","397946",NA,"PDBC12852","707024","Present"
-"2,6-Bis[(2-isopropylphenyl)sulfanylmethyl]pyran-4-one","","","","","","","","","","","","","","","","","","","","2,6-Bis[(2-isopropylphenyl)sulfanylmethyl]pyran-4-one","","CC(C)C1=CC=CC=C1SCC2=CC(=O)C=C(O2)CSC3=CC=CC=C3C(C)C","JYBQFOGVZKQGNA-UHFFFAOYSA-N","396679",NA,"PDBC12853","703193","Present"
-"2,6-Bis[(3,5-dichloro-2-hydroxyphenyl)methyl]-4-pentan-2-ylphenol","","","","","","","","","","","","","","","","","","","","2,6-Bis[(3,5-dichloro-2-hydroxyphenyl)methyl]-4-pentan-2-ylphenol","","CCCC(C)C1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)Cl)Cl)O)O)CC3=C(C(=CC(=C3)Cl)Cl)O","CXRWSMYCZWHYIS-UHFFFAOYSA-N","222841",NA,"PDBC12854","9771","Present"
-"2,6-Bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-4-one","","","","","","","","","","","","","","","","","","","","2,6-Bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-4-one","","C1=CC(=C(C=C1C=CC2=CC(=O)C=C(O2)C=CC3=CC(=C(C=C3)O)O)O)O","FAOXYWQUAVURJX-IJIVKGSJSA-N","5470602",NA,"PDBC12855","703329","Present"
-"2,6-Bis[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyran-4-one","","","","","","","","","","","","","","","","","","","","2,6-Bis[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyran-4-one","","COC1=C(C=C(C=C1)C=CC2=CC(=O)C=C(O2)C=CC3=CC(=C(C=C3)OC)O)O","BLYXQHHQYFJRHU-FCXRPNKRSA-N","5470601",NA,"PDBC12856","703328","Present"
-"2,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-4-one","","","","","","","","","","","","","","","","","","","","2,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-4-one","","COC1=C(C=CC(=C1)C=CC2=CC(=O)C=C(O2)C=CC3=CC(=C(C=C3)O)OC)O","LEIAGYMDVSHOKS-FCXRPNKRSA-N","5470600",NA,"PDBC12857","703327","Present"
-"2,6-Bis[(dimethylamino)methyl]-4-phenyldiazenylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC674081","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)N=NC2=CC=CC=C2.Cl","GKWXPXZBVDCSPM-UHFFFAOYSA-N","384371",NA,"PDBC12858","674081","Present"
-"2,6-Bis[(dimethylamino)methyl]pyridin-3-ol","","","","","","","","","","","","","","","","","","","","ChemDiv3_002008","","CN(C)CC1=NC(=C(C=C1)O)CN(C)C","OYTNPZVGHDQVGL-UHFFFAOYSA-N","252256",NA,"PDBC12859","73721","Present"
-"2,6-Bis[1-(3-ethylthioureidoimino)ethyl]pyridine","","","","","","","","","","","","","","","","","","","","2,6-Bis[1-(3-ethylthioureidoimino)ethyl]pyridine","","CCNC(=S)NN=C(C)C1=NC(=CC=C1)C(=NNC(=S)NCC)C","ZINONERQPCFXDA-PZRYXVKFSA-N","6393657",NA,"PDBC12860","668337","Present"
-"2,6-Bis[1-(4,4-hexamethylenethiosemicarbazono)ethyl]pyridine","","","","","","","","","","","","","","","","","","","","NSC668340","","CC(=NNC(=S)N1CCCCCC1)C2=NC(=CC=C2)C(=NNC(=S)N3CCCCCC3)C","UQSMXYHBKUMSSI-HSLKWFPPSA-N","5921605",NA,"PDBC12861","668340","Present"
-"2,6-Bis[2-(2-pyridyl)vinyl]pyridine","","","","","","","","","","","","","","","","","","","","2,6-di-[2(pyridin-2-yl)vinyl]pyridine","","C1=CC=NC(=C1)C=CC2=NC(=CC=C2)C=CC3=CC=CC=N3","NDHWGFRYHPLFFF-DCIPZJNNSA-N","5471826",NA,"PDBC12862","714205","Present"
-"2,6-Bis[2-(2-thiazolyl)vinyl]pyridine","","","","","","","","","","","","","","","","","","","","2,6-di-[2[(thiazol-2-yl)vinyl]pyridine","","C1=CC(=NC(=C1)C=CC2=NC=CS2)C=CC3=NC=CS3","OAYAWQJSOHKFOG-YDFGWWAZSA-N","5471827",NA,"PDBC12863","714206","Present"
-"2,6-Bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione","","","","","","","","","","","","","","","","","","","","10,16-Bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione","","CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=CC=CC=C5C3=N1)CCN(C)C","MHKVVLLUWFCOIB-UHFFFAOYSA-N","399629",NA,"PDBC12864","710546","Present"
-"2,6-Bis[3-(dimethylamino)propenoyl]pyridine","","","","","","","","","","","","","","","","","","","","J-400081","","CN(C)C=CC(=O)C1=NC(=CC=C1)C(=O)C=CN(C)C","SGWRTZRVJHNLMG-GFULKKFKSA-N","5467331",NA,"PDBC12865","650750","Present"
-"2,6-Bis[3-[bis(2-hydroxyethyl)amino]propanoylamino]anthraquinone","","","","","","","","","","","","","","","","","","","","2,6-Bis[3-[bis(2-hydroxyethyl)amino]propanoylamino]anthraquinone","","C1=CC2=C(C=C1NC(=O)CCN(CCO)CCO)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCN(CCO)CCO","MPSGDMIVOLXXBP-UHFFFAOYSA-N","374318",NA,"PDBC12866","651843","Present"
-"2,6-Bis[3-methoxy-4-(glycidyloxy)benzylidene]cyclohexanone","","","","","","","","","","","","","","","","","","","","2,6-Bis[3-methoxy-4-(glycidyloxy)benzylidene]cyclohexanone","","COC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)OCC4CO4)OC)C2=O)OCC5CO5","BFRORTLKQWFNHQ-CLVAPQHMSA-N","54610991",NA,"PDBC12867","309802","Present"
-"2,6-Cyclolycopene-1,5-diol","","","","","","","","","","","","","","","","","","","","2,6-Cyclolycopene-1,5-diol","","CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1C(CCC1(C)O)C(C)(C)O)C)C)C)C","VDFVQEJGOSCZNZ-UJTOCDJDSA-N","5471693",NA,"PDBC12868","713076","Present"
-"2,6-DI-Tert-butyl-4-chromen-2-ylidene-cyclohexa-2,5-dienone","","","","","","","","","","","","","","","","","","","","2,6-DI-Tert-butyl-4-chromen-2-ylidene-cyclohexa-2,5-dienone","","CC(C)(C)C1=CC(=C2C=CC3=CC=CC=C3O2)C=C(C1=O)C(C)(C)C","JYHOJXQWJVKCCQ-UHFFFAOYSA-N","398888",NA,"PDBC12869","709109","Present"
-"2,6-Di(2-furyl)-3,5-dimethyl-1-nitroso-4-piperidinone","","","","","","","","","","","","","","","","","","","","2,6-Di(2-furyl)-3,5-dimethyl-1-nitroso-4-piperidinone","","CC1C(N(C(C(C1=O)C)C2=CC=CO2)N=O)C3=CC=CO3","YHEHAAHKVKLCTO-UHFFFAOYSA-N","362609",NA,"PDBC12870","626739","Present"
-"2,6-Di-[2-(furan-2-yl)vinyl]pyridine","","","","","","","","","","","","","","","","","","","","2,6-di-[2-(furan-2-yl)vinyl]pyridine","","C1=CC(=NC(=C1)C=CC2=CC=CO2)C=CC3=CC=CO3","VBUKZZMUUHZWFU-GFULKKFKSA-N","5471824",NA,"PDBC12871","714203","Present"
-"2,6-Di-[2-(thien-2-yl)vinyl]pyridine","","","","","","","","","","","","","","","","","","","","2,6-di-[2-(thien-2-yl)vinyl]pyridine","","C1=CC(=NC(=C1)C=CC2=CC=CS2)C=CC3=CC=CS3","WOMJNQNGCSLNRB-GFULKKFKSA-N","5471825",NA,"PDBC12872","714204","Present"
-"2,6-Di-tert-butyl-4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenol","","","","","","","","","","","","","","","","","","","","Phenol, 4-(5,6-dimethyl-1H-benzimidazol-2-yl)- 2,6-bis(1...","","CC1=CC2=C(C=C1C)N=C(N2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C","LGALTZSPBITHOW-UHFFFAOYSA-N","401977",NA,"PDBC12873","715664","Present"
-"2,6-Di-tert-butyl-4-(5-phenyl-2-pyrazoline-3-yl)phenol","","","","","","","","","","","","","","","","","","","","2,6-Di-tert-butyl-4-(5-phenyl-2-pyrazoline-3-yl)phenol","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NNC(C2)C3=CC=CC=C3","PETUJRIUSTWSAR-UHFFFAOYSA-N","398890",NA,"PDBC12874","709111","Present"
-"2,6-Di-tert-butyl-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-(7-methyl-6-morpholino-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C","SICREJOSBMSSEJ-UHFFFAOYSA-N","380584",NA,"PDBC12875","666234","Present"
-"2,6-Diamino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]hexan-1-one","","","","","","","","","","","","","","","","","","","","2,6-Diamino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]hexan-1-one","","C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)C(=O)C(CCCCN)N","JQJVTGFOYVLQQW-UHFFFAOYSA-N","403195",NA,"PDBC12876","717849","Present"
-"2,6-Diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbo...","","COC1=CC=CC=C1C2C(=C(SC(=C2C#N)N)N)C#N","KTCJWBXMBLYHNZ-UHFFFAOYSA-N","694051",NA,"PDBC12877","737795","Present"
-"2,6-Diamino-4-cyclohexylmethoxypyrimidine","","","","","","","","","","","","","","","","","","","","2,6-diamino-4-cylohexylmethoxypyrimidine","","C1CCC(CC1)COC2=NC(=NC(=C2)N)N","HFTATNPBYYGATN-UHFFFAOYSA-N","398147",NA,"PDBC12878","707615","Present"
-"2,6-Diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2,6-Diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol","","C1=CN(C=N1)CC2=C(N=C(NC2=O)N)N","NVBKABPAJGUMCE-UHFFFAOYSA-N","135403641",NA,"PDBC12879","87450","Present"
-"2,6-Diamino-6-phosphonohexanoic acid","","","","","","","","","","","","","","","","","","","","Lysine, 6-phosphono-","","C(CC(C(=O)O)N)CC(N)P(=O)(O)O","VSLQSQRRJBOXLA-UHFFFAOYSA-N","363915",NA,"PDBC12880","629304","Present"
-"2,6-Diamino-9-[2,6-dichlorobenzyl]purine","","","","","","","","","","","","","","","","","","","","9-(2,6-dichlorobenzyl)-9H-purine-2,6-diamine","","C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=C(N=C32)N)N)Cl","SXLNMLQLYSFXSI-UHFFFAOYSA-N","334344",NA,"PDBC12881","339176","Present"
-"2,6-Diamino-9-benzylpurine","","","","","","","","","","","","","","","","","","","","2-amino-9-benzyladenine","","C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)N","DRGHOMRXJSSSBT-UHFFFAOYSA-N","238930",NA,"PDBC12882","43534","Present"
-"2,6-Diamino-N-(2-((4-((2-((2,6-diaminohexanoyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)hexanamide","","","","","","","","","","","","","","","","","","","","2,6-Diamino-N-[2-[[4-[2-(2,6-diaminohexanoylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]hexanamide","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNC(=O)C(CCCCN)N)NCCNC(=O)C(CCCCN)N","ZOMIQYFGCVAWSW-UHFFFAOYSA-N","438922",NA,"PDBC12883","684438","Present"
-"2,6-Diamino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2,6-Diamino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride","","CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)NC(=O)C(CCCCN)N.Cl","ZBDHJAYKDDOPIG-UHFFFAOYSA-N","399419",NA,"PDBC12884","710196","Present"
-"2,6-Diaminofuro[2,3-f]benzofuran-3,7-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2,6-Diamino-benzo[1,2-b","","C1=C2C(=CC3=C1OC(=C3C#N)N)OC(=C2C#N)N","MEIAFCFJXTVGOG-UHFFFAOYSA-N","361814",NA,"PDBC12885","625131","Present"
-"2,6-Diaminopyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2,6-Diaminopyridine-3,5-dicarbonitrile","","C1=C(C(=NC(=C1C#N)N)N)C#N","JSKRRQDSARSJTR-UHFFFAOYSA-N","377555",NA,"PDBC12886","659122","Present"
-"2,6-Dibenzyl-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7-tetrone","","","","","","","","","","","","","","","","","","","","2,6-Dibenzyl-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7-tetrone","","C1=CC=C(C=C1)CN2C(=O)N3C(=O)N(C(=O)N3C2=O)CC4=CC=CC=C4","JMSFJKOOPNHFJU-UHFFFAOYSA-N","391647",NA,"PDBC12887","691133","Present"
-"2,6-Dibenzylidenecyclohexanone","","","","","","","","","","","","","","","","","","","","NSC2384///NSC40618","","C1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","CTKKGXDAWIAYSA-JSAVKQRWSA-N","1550330",NA,"PDBC12888","2384///40618","Present"
-"2,6-Dibromo-2',6'-dimethylbiphenyl-4,4'-diamine","","","","","","","","","","","","","","","","","","","","2,6-Dibromo-2',6'-dimethylbiphenyl-4,4'-diamine","","CC1=CC(=CC(=C1C2=C(C=C(C=C2Br)N)Br)C)N","HMWQYKGAJZEVGV-UHFFFAOYSA-N","238710",NA,"PDBC12889","43227","Present"
-"2,6-Dibromo-3-(bromomethyl)-3,7-dichloro-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","2,6-Dibromo-3-(bromomethyl)-3,7-dichloro-7-methyloct-1-ene","","CC(C)(C(CCC(CBr)(C(=C)Br)Cl)Br)Cl","HFTFRDQDWSJWDM-UHFFFAOYSA-N","379561",NA,"PDBC12890","664243","Present"
-"2,6-Dibromo-4-((cyclohexyl(3,5-dibromo-4-hydroxybenzyl)amino)methyl)phenol","","","","","","","","","","","","","","","","","","","","2,6-Dibromo-4-((cyclohexyl(3,5-dibromo-4-hydroxybenzyl)amino)methyl)phenol","","C1CCC(CC1)N(CC2=CC(=C(C(=C2)Br)O)Br)CC3=CC(=C(C(=C3)Br)O)Br","PUMFEPYRTTZELK-UHFFFAOYSA-N","241475",NA,"PDBC12891","48873","Present"
-"2,6-Dibromo-4-[(E)-2-[2-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-4-yl]ethenyl]phenol","","","","","","","","","","","","","","","","","","","","2,6-Dibromo-4-[(E)-2-[2-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-4-yl]ethenyl]phenol","","C1=CN=C(C=C1C=CC2=CC(=C(C(=C2)Br)O)Br)C=CC3=CC(=C(C(=C3)Br)O)Br","DWINQWMCUFTLFI-MVJNYCIBSA-N","135436184",NA,"PDBC12892","711992","Present"
-"2,6-Dibromo-4-[(E)-2-[6-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]phenol","","","","","","","","","","","","","","","","","","","","2,6-Dibromo-4-[(E)-2-[6-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]phenol","","C1=CC(=NC(=C1)C=CC2=CC(=C(C(=C2)Br)O)Br)C=CC3=CC(=C(C(=C3)Br)O)Br","JMPQADBLBNWFFC-YDFGWWAZSA-N","135436183",NA,"PDBC12893","711991","Present"
-"2,6-Dibromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purine","","","","","","","","","","","","","","","","","","","","9H-Purine, 2,6-dibromo-9-[2-deoxy- 3,5-O-bis(4-methylphe...","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Br)Br)OC5=CC=C(C=C5)C","ACKILDVYRDBSLO-UHFFFAOYSA-N","388059",NA,"PDBC12894","682520","Present"
-"2,6-Dibromo-p-benzoquinone","","","","","","","","","","","","","","","","","","","","2,6-dibromoquinone","","C1=C(C(=O)C(=CC1=O)Br)Br","FGHCYIPZQUMLRQ-UHFFFAOYSA-N","88175",NA,"PDBC12895","294731","Present"
-"2,6-Dichloro-4-(2,6-dichlorophenyl)-1,4-dihydro-3,5-pyridinedicarbonitrile","","","","","","","","","","","","","","","","","","","","2,6-Dichloro-4-(2,6-dichlorophenyl)-1,4-dihydro-3,5-pyridinedicarbonitrile","","C1=CC(=C(C(=C1)Cl)C2C(=C(NC(=C2C#N)Cl)Cl)C#N)Cl","ZOXNVKSNIJFQRE-UHFFFAOYSA-N","366981",NA,"PDBC12896","636144","Present"
-"2,6-Dichloro-4-(4-chlorophenyl)-1,4-dihydro-3,5-pyridinedicarbonitrile","","","","","","","","","","","","","","","","","","","","2,6-Dichloro-4-(4-chlorophenyl)-1,4-dihydro-3,5-pyridinedicarbonitrile","","C1=CC(=CC=C1C2C(=C(NC(=C2C#N)Cl)Cl)C#N)Cl","XZNNURDJIPWSJG-UHFFFAOYSA-N","366980",NA,"PDBC12897","636143","Present"
-"2,6-Dichloro-4-[1,2,2-tris(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol","","","","","","","","","","","","","","","","","","","","Phenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis(2,6-...","","C1=C(C=C(C(=C1Cl)O)Cl)C(C2=CC(=C(C(=C2)Cl)O)Cl)C(C3=CC(=C(C(=C3)Cl)O)Cl)C4=CC(=C(C(=C4)Cl)O)Cl","PGVJRDOIJQMGEF-UHFFFAOYSA-N","425241",NA,"PDBC12898","172033","Present"
-"2,6-Dichloro-7-methyl-3-methylideneoct-1-ene","","","","","","","","","","","","","","","","","","","","2,6-Dichloro-7-methyl-3-methylideneoct-1-ene","","CC(C)C(CCC(=C)C(=C)Cl)Cl","SAZOIYZPCAKCRB-UHFFFAOYSA-N","382938",NA,"PDBC12899","670815","Present"
-"2,6-Dichloro-7-methylpurine","","","","","","","","","","","","","","","","","","","","2,6-Dichloro-7-methylpurine","","CN1C=NC2=C1C(=NC(=N2)Cl)Cl","HVMUWHZAZGTMJK-UHFFFAOYSA-N","75281",NA,"PDBC12900","7853","Present"
-"2,6-Dichloro-9-[2-(2-chloroethoxy)ethyl]purine","","","","","","","","","","","","","","","","","","","","Nonnucleoside purine derivatives","","C1=NC2=C(N1CCOCCCl)N=C(N=C2Cl)Cl","PABIEFNWZUKKMB-UHFFFAOYSA-N","45029046",NA,"PDBC12901","745301","Present"
-"2,6-Dichloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purine","","","","","","","","","","","","","","","","","","","","2,6-Dichloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purine","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)Cl)OC5=CC=C(C=C5)C","JVLGVUZJCTTXPR-UHFFFAOYSA-N","389534",NA,"PDBC12902","685832","Present"
-"2,6-Dichloro-9-phenyl-9h-purine","","","","","","","","","","","","","","","","","","","","2,6-bis(chloranyl)-9-phenyl-purine","","C1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3Cl)Cl","PUARFAPITOZVIH-UHFFFAOYSA-N","227494",NA,"PDBC12903","19098","Present"
-"2,6-Dichlorobenzyl thiocyanate","","","","","","","","","","","","","","","","","","","","9229AE","","C1=CC(=C(C(=C1)Cl)CSC#N)Cl","IBWINXSTXHFYMY-UHFFFAOYSA-N","82034",NA,"PDBC12904","118097","Present"
-"2,6-Dichlorocinnamylidenemalononitrile","","","","","","","","","","","","","","","","","","","","LS-88911","","C1=CC(=C(C(=C1)Cl)C=CC=C(C#N)C#N)Cl","AQHXDGSVFZHQHH-DAFODLJHSA-N","6273889",NA,"PDBC12905","659248","Present"
-"2,6-Dichlorophenanthridine","","","","","","","","","","","","","","","","","","","","2,6-Dichlorophenanthridine","","C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)N=C2Cl","BTISIQJTOTUWFG-UHFFFAOYSA-N","282601",NA,"PDBC12906","136274","Present"
-"2,6-Dihydrazinyl-4-phenylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2,6-Dihydrazinyl-4-phenylpyridine-3,5-dicarbonitrile","","C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)NN)NN)C#N","WUPHKPRCBZEPRU-UHFFFAOYSA-N","368844",NA,"PDBC12907","640169","Present"
-"2,6-Dihydrotriazolo[4,5-f]benzotriazole-4,8-dione","","","","","","","","","","","","","","","","","","","","2H,6H-Benzo[1,2-d","","C12=NNN=C1C(=O)C3=NNN=C3C2=O","RFJQFDNFQDAVHT-UHFFFAOYSA-N","392977",NA,"PDBC12908","694219","Present"
-"2,6-Dihydroxy-4-oxo-6-phenyl-2,5-hexadienoic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-651835","","C1=CC=C(C=C1)C(=CC(=O)C=C(C(=O)O)O)O","HYOKDRLDBBNYJL-SQXCDDPUSA-N","5467385",NA,"PDBC12909","651835","Present"
-"2,6-Dihydroxy-9-(5'-nitropyridine)-9h-purine","","","","","","","","","","","","","","","","","","","","2,6-Dihydroxy-9-(5'-nitropyridine)-9h-purine","","C1=CC(=NC=C1[N+](=O)[O-])N2C=NC3=C2NC(=O)NC3=O","NSCZQPPXOQBCGP-UHFFFAOYSA-N","389377",NA,"PDBC12910","685424","Present"
-"2,6-Dihydroxyanthraquinone","","","","","","","","","","","","","","","","","","","","anthraflavin","","C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O","APAJFZPFBHMFQR-UHFFFAOYSA-N","6776",NA,"PDBC12911","33531","Present"
-"2,6-Dimethoxy-1,4-benzoquinone","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxyquinone","","COC1=CC(=O)C=C(C1=O)OC","OLBNOBQOQZRLMP-UHFFFAOYSA-N","68262",NA,"PDBC12912","24500","Present"
-"2,6-Dimethoxy-10-thioxo-9(10H)-anthracenone","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxy-10-thioxo-9(10H)-anthracenone","","COC1=CC2=C(C=C1)C(=O)C3=C(C2=S)C=CC(=C3)OC","DMOJVQSDXHCCRJ-UHFFFAOYSA-N","363001",NA,"PDBC12913","627540","Present"
-"2,6-Dimethoxy-3-(1-methylsulfanyl-1-pyridin-2-ylethyl)sulfanylpyridine","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxy-3-{[1-(methylsulfanyl)-1-pyridin-2-ylethyl]sulfanyl}pyridine","","CC(C1=CC=CC=N1)(SC)SC2=C(N=C(C=C2)OC)OC","SVYIYTDPGLKOAX-UHFFFAOYSA-N","400560",NA,"PDBC12914","712682","Present"
-"2,6-Dimethoxy-4-(2-(4-methoxyphenyl)ethyl)phenol","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3,4',5-trimethoxybibenzyl","","COC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)O)OC","LQUCKZYGJBLADR-UHFFFAOYSA-N","368147",NA,"PDBC12915","638495","Present"
-"2,6-Dimethoxy-4-(6-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxy-4-(6-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)OC)OCO3)C5=CC(=C(C(=C5)OC)O)OC","XWPTTYCGUZLNFK-UHFFFAOYSA-N","383130",NA,"PDBC12916","671171","Present"
-"2,6-Dimethoxy-4-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxy-4-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=CC(=C(C(=C5)OC)O)OC","VBMAFJMJCVORJE-UHFFFAOYSA-N","383126",NA,"PDBC12917","671167","Present"
-"2,6-Dimethoxy-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxy-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)O)OC","MPDXBMJHDYBXLL-UHFFFAOYSA-N","383127",NA,"PDBC12918","671168","Present"
-"2,6-Dimethoxy-4-(7-methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxy-4-[7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol","","CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)O)OC","FUNPVMFAHUSZAK-UHFFFAOYSA-N","383132",NA,"PDBC12919","671173","Present"
-"2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)O)OC","HMMFKXIBIIUASW-UHFFFAOYSA-N","383124",NA,"PDBC12920","671165","Present"
-"2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl acetate","","","","","","","","","","","","","","","","","","","","[2,6-Dimethoxy-4-(7-methyl-6-morpholin-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl] acetate","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)OC(=O)C)OC","ASBSTGZTKLVUCD-UHFFFAOYSA-N","383125",NA,"PDBC12921","671166","Present"
-"2,6-Dimethoxy-4-(8-oxo-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)phenyl acetate","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxy-4-(8-oxo-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)phenyl acetate","","CC(=O)OC1=C(C=C(C=C1OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC","BTKOYJYYQNYTMG-UHFFFAOYSA-N","382067",NA,"PDBC12922","669381","Present"
-"2,6-Dimethoxy-5-methyl-3-(3-methyl-2-butenyl)-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxy-5-methyl-3-(3-methyl-2-butenyl)-4H-chromen-4-one","","CC1=C(C=CC2=C1C(=O)C(=C(O2)OC)CC=C(C)C)OC","RDQCIBRHDHBRRY-UHFFFAOYSA-N","380490",NA,"PDBC12923","666105","Present"
-"2,6-Dimethyl-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7(2H,6H)-tetrone","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7(2H,6H)-tetrone","","CN1C(=O)N2C(=O)N(C(=O)N2C1=O)C","QSDHEGQTZDPFFG-UHFFFAOYSA-N","392336",NA,"PDBC12924","692612","Present"
-"2,6-Dimethyl-3-(2-methylphenyl)pyrimidin-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC632908","","CC1=CC=CC=C1N2C(=NC(=CC2=O)C)C.Cl","ZLYAZXPMACETBU-UHFFFAOYSA-N","365319",NA,"PDBC12925","632908","Present"
-"2,6-Dimethyl-4-(1-naphthyl)-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-4-(1-naphthyl)-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5","OQBZERMRZYIDLG-UHFFFAOYSA-N","361066",NA,"PDBC12926","623870","Present"
-"2,6-Dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester","","","","","","","","","","","","","","","","","","","","3-O-[2-(4-Nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC3=CC=C(C=C3)[N+](=O)[O-]","ZVBMOPMHERFLOD-UHFFFAOYSA-N","382118",NA,"PDBC12927","669511","Present"
-"2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester","","","","","","","","","","","","","","","","","","","","3-O-[2-(4-Nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC3=CC=C(C=C3)[N+](=O)[O-]","DRXCGOGFDBUTAC-UHFFFAOYSA-N","382121",NA,"PDBC12928","669514","Present"
-"2,6-Dimethyl-4-(3-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 2,6-dimethyl-4-(3-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)N=O)C(=O)OC","WWXRWOZVVFUXSG-UHFFFAOYSA-N","382111",NA,"PDBC12929","669504","Present"
-"2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester","","","","","","","","","","","","","","","","","","","","3-O-[2-(4-Nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2C(F)(F)F)C(=O)OCCC3=CC=C(C=C3)[N+](=O)[O-]","GSEUCWFCVYVUCS-UHFFFAOYSA-N","382115",NA,"PDBC12930","669508","Present"
-"2,6-Dimethyl-4-[3-(hydroxyamino)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NO)C(=O)OC","MHNQRBYYLUUMAW-UHFFFAOYSA-N","382109",NA,"PDBC12931","669502","Present"
-"2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol","","CC1=C(C(=O)NC(=N1)C)N2CCNCC2","GJVNXGXWCKVSPF-UHFFFAOYSA-N","135481922",NA,"PDBC12932","673097","Present"
-"2,6-Dimethyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol","","CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)[N+](=O)[O-]","MUFPQKPNCOHJIG-UHFFFAOYSA-N","135489784",NA,"PDBC12933","673105","Present"
-"2,6-Dimethyl-N'~3~,N'~5~-bis(phenylacetyl)pyridine-3,5-dicarbohydrazide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-N'~3~,N'~5~-bis(phenylacetyl)pyridine-3,5-dicarbohydrazide","","CC1=C(C=C(C(=N1)C)C(=O)NNC(=O)CC2=CC=CC=C2)C(=O)NNC(=O)CC3=CC=CC=C3","YUGDLITYLAUWLD-UHFFFAOYSA-N","376621",NA,"PDBC12934","657651","Present"
-"2,6-Dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide","","CC1=C(N2C(=N1)SC(=N2)C)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","ITFUEFZTCVVNHO-VIZOYTHASA-N","9572289",NA,"PDBC12935","710325","Present"
-"2,6-Dimethyl-N4,N8-diphenyl-oxazolo[5,4-f][1,3]benzoxazole-4,8-diimine","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-N4,N8-diphenyl-oxazolo[5,4-f][1,3]benzoxazole-4,8-diimine","","CC1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=C(C2=NC5=CC=CC=C5)OC(=N4)C","HAJWBDIPNVYOLH-UHFFFAOYSA-N","362418",NA,"PDBC12936","626303","Present"
-"2,6-Dimethyl-N~3~,N~5~,4-tris(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-N~3~,N~5~,4-tris(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=CC=CC=C1C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3C)C)C)C(=O)NC4=CC=CC=C4C","RVWWYYIMAWQCPW-UHFFFAOYSA-N","365855",NA,"PDBC12937","633929","Present"
-"2,6-Dimethyl-N~3~,N~5~-bis(2-methylphenyl)-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-N~3~,N~5~-bis(2-methylphenyl)-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C=CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4C)C)C","ORHWYFRPRZZBHQ-VHEBQXMUSA-N","5388228",NA,"PDBC12938","633943","Present"
-"2,6-Dimethyl-N~3~,N~5~-bis(2-methylphenyl)-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-N~3~,N~5~-bis(2-methylphenyl)-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C)C)C","PSDGPEOMCXBWGD-UHFFFAOYSA-N","367765",NA,"PDBC12939","637704","Present"
-"2,6-Dimethyl-N~3~,N~5~-bis(2-phenylethyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-N~3~,N~5~-bis(2-phenylethyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(CC(=C(N1)C)C(=O)NCCC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3","VKTUFNNMMNZCFS-UHFFFAOYSA-N","376614",NA,"PDBC12940","657645","Present"
-"2,6-Dimethyl-N~3~,N~5~-dioctyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-N~3~,N~5~-dioctyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CCCCCCCCNC(=O)C1=C(NC(=C(C1)C(=O)NCCCCCCCC)C)C","NPCJWXOLULBCOY-UHFFFAOYSA-N","376622",NA,"PDBC12941","657652","Present"
-"2,6-Dimethylbenzyl alcohol","","","","","","","","","","","","","","","","","","","","AB03562","","CC1=C(C(=CC=C1)C)CO","JPEYJQDKTDVJSZ-UHFFFAOYSA-N","186748",NA,"PDBC12942","618295","Present"
-"2,6-Dinitro-4-(trifluoromethyl)benzamide","","","","","","","","","","","","","","","","","","","","NCIMech_000171","","C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)N)[N+](=O)[O-])C(F)(F)F","FLLULEVATOIQCT-UHFFFAOYSA-N","360506",NA,"PDBC12943","622640","Present"
-"2,6-Dinitro-4-(trifluoromethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2,6-Dinitro-4-(trifluoromethyl)benzoic acid","","C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(F)(F)F","GNFOSJATUOBGKN-UHFFFAOYSA-N","360494",NA,"PDBC12944","622628","Present"
-"2,6-Dinitro-4-(trifluoromethyl)benzonitrile","","","","","","","","","","","","","","","","","","","","GS-2004","","C1=C(C=C(C(=C1[N+](=O)[O-])C#N)[N+](=O)[O-])C(F)(F)F","JVMGGCAIQROQMF-UHFFFAOYSA-N","360492",NA,"PDBC12945","622626","Present"
-"2,6-Dinitro-4-methylphenyl phenyl sulfone","","","","","","","","","","","","","","","","","","","","4Me2,6-diNO2Ph-SO2-Ph","","CC1=CC(=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]","USGVKCGDCYHOQZ-UHFFFAOYSA-N","371684",NA,"PDBC12946","646122","Present"
-"2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzamide","","","","","","","","","","","","","","","","","","","","2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzamide","","CCCN(CCC)C(=O)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","ZHDIAMKTJDJHLW-UHFFFAOYSA-N","360495",NA,"PDBC12947","622629","Present"
-"2,6-Dinitrophenyl phenyl sulfone","","","","","","","","","","","","","","","","","","","","2,6-diNO2Ph-SO2-Ph","","C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]","HMOFBCBFCRAODW-UHFFFAOYSA-N","370024",NA,"PDBC12948","642592","Present"
-"2,6-Dioxoadamantane-1,3,5,7-tetracarboxylic acid","","","","","","","","","","","","","","","","","","","","2,6-Dioxoadamantane-1,3,5,7-tetracarboxylic acid","","C1C2(CC3(CC(C2=O)(CC1(C3=O)C(=O)O)C(=O)O)C(=O)O)C(=O)O","CWNMLUDMKYTMQU-UHFFFAOYSA-N","272785",NA,"PDBC12949","117489","Present"
-"2,6-Diphenyl-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol","","","","","","","","","","","","","","","","","","","","2,6-Diphenyl-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol","","CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC(=C(C(=C4)C5=CC=CC=C5)[O-])C6=CC=CC=C6)C7=CC=C(C=C7)S(=O)(=O)C","NZJAHSCHKKGYDX-UHFFFAOYSA-N","370129",NA,"PDBC12950","642720","Present"
-"2,6-Dipyridin-2-ylpyridine;4-methylpyridine;platinum(2+);tetrafluoroborate","","","","","","","","","","","","","","","","","","","","2,6-Dipyridin-2-ylpyridine;4-methylpyridine;platinum(2+);tetrafluoroborate","","[B-](F)(F)(F)F.CC1=CC=NC=C1.C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3.[Pt+2]","YHBIZGKETGAKNE-UHFFFAOYSA-N","24202574",NA,"PDBC12951","694500","Present"
-"2,6-Ditert-butyl-4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenol","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenol","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN(C(C2)C3=CC=CC=C3)C4=CC=CC=C4","LKDYAQMZOYWDGD-UHFFFAOYSA-N","398889",NA,"PDBC12952","709110","Present"
-"2,6-Ditert-butyl-4-(6-hydroxychromen-2-ylidene)cyclohexa-2,5-dien-1-one","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-(6-hydroxychromen-2-ylidene)cyclohexa-2,5-dien-1-one","","CC(C)(C)C1=CC(=C2C=CC3=C(O2)C=CC(=C3)O)C=C(C1=O)C(C)(C)C","JVMAGOLAWQMFAC-UHFFFAOYSA-N","398886",NA,"PDBC12953","709107","Present"
-"2,6-Ditert-butyl-4-[(2Z)-3-[3-(dimethylamino)propyl]-2-phenylimino-thiazol-4-yl]phenol","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-[(2Z)-3-[3-(dimethylamino)propyl]-2-phenylimino-thiazol-4-yl]phenol","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NC3=CC=CC=C3)N2CCCN(C)C","YBINNOMVIRWVBR-UHFFFAOYSA-N","396117",NA,"PDBC12954","701664","Present"
-"2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-[4-[10,15,20-tris[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methylidene]cyclohexa-2,5-dien-1-one","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-[4-[10,15,20-tris[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-21,23-dihydroporphyrin","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=CC=C(C=C3)C4=C5C=CC(=C(C6=NC(=C(C7=CC=C(N7)C(=C8C=CC4=N8)C9=CC=C(C=C9)C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C1=CC=C(C=C1)C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C=C6)C1=CC=C(C=C1)C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)N5","YUXOVZQJNHZUDO-UHFFFAOYSA-N","16129894",NA,"PDBC12955","666457","Present"
-"2,6-Ditert-butyl-4-[(Z)-[4-phenyl-3-(2,4,6-trimethylphenyl)thiazol-2-ylidene]hydrazono]cyclohexa-2,5-dien-1-one","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-[(Z)-[4-phenyl-3-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]cyclohexa-2,5-dien-1-one","","CC1=CC(=C(C(=C1)C)N2C(=CSC2=NN=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C4=CC=CC=C4)C","ILFCLCVFUROXMO-BVNFUTIRSA-N","9555898",NA,"PDBC12956","648909","Present"
-"2,6-Ditert-butyl-4-[10-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-9-anthryl]-4-hydroxy-cyclohexa-2,5-dien-1-one","","","","","","","","","","","","","","","","","","","","2,6-ditert-butyl-4-[10-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-9-anthryl]-4-hydroxy-cyclohexa-2,5-dien-1-one","","CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5(C=C(C(=O)C(=C5)C(C)(C)C)C(C)(C)C)O)O","UPMFBCDDRXWCKE-UHFFFAOYSA-N","386880",NA,"PDBC12957","679738","Present"
-"2,6-Ditert-butyl-4-[2-[1-(11-hydroxyundecyl)pyridin-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-one","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-[2-[1-(11-hydroxyundecyl)pyridin-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-one","","CC(C)(C)C1=CC(=CC=C2C=CN(C=C2)CCCCCCCCCCCO)C=C(C1=O)C(C)(C)C","VAYPFDGIIOIZGZ-UHFFFAOYSA-N","354022",NA,"PDBC12958","603854","Present"
-"2,6-Ditert-butyl-4-[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]phenol","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]phenol","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(CO)OCCOCCO","JTVUWCWBNGVCOX-UHFFFAOYSA-N","386888",NA,"PDBC12959","679746","Present"
-"2,6-Ditert-butyl-4-[4-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-2,5-dimethyl-phenyl]-4-hydroxy-cyclohexa-2,5-dien-1-one","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-[4-(3,5-ditert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)-2,5-dimethylphenyl]-4-hydroxycyclohexa-2,5-dien-1-one","","CC1=CC(=C(C=C1C2(C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)O)C)C3(C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)O","MBNKJKGCDWPCOQ-UHFFFAOYSA-N","386878",NA,"PDBC12960","679736","Present"
-"2,6-Ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2,5-dimethyl-phenyl]phenol","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2,5-dimethyl-phenyl]phenol","","CC1=CC(=C(C=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C","BQIQUXLRMRIJGZ-UHFFFAOYSA-N","386879",NA,"PDBC12961","679737","Present"
-"2,6-Ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,4-dioxan-2-yl]phenol","","","","","","","","","","","","","","","","","","","","4,4'-(1,4-dioxane-2,5-diyl)bis(2,6-di-tert-butylphenol)","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2COC(CO2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C","QCKVIDRGBCCTOT-UHFFFAOYSA-N","386889",NA,"PDBC12962","679747","Present"
-"2,6-Ditert-butyl-4-oxazolidin-2-yl-phenol","","","","","","","","","","","","","","","","","","","","2,6-Ditert-butyl-4-oxazolidin-2-yl-phenol","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2NCCO2","VTDCILCJGAKXPN-UHFFFAOYSA-N","398894",NA,"PDBC12963","709115","Present"
-"2,6-Dithiouric acid","","","","","","","","","","","","","","","","","","","","NSC29192","","C12=C(NC(=O)N1)NC(=S)NC2=S","SOQYJXVHBQVRDB-UHFFFAOYSA-N","3246111",NA,"PDBC12964","29192","Present"
-"2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 4-(acetyloxy)-3,4-dihydro-6,8-dimethyl-","","","","","","","","","","","","","","","","","","","","2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 4-(acetyloxy)-3,4-dihydro-6,8-dimethyl-","","CC1=CC2=C(C=C1)OC3CC(C(=O)C2(O3)C)OC(=O)C","JTUOGXGQXQDUMF-UHFFFAOYSA-N","362339",NA,"PDBC12965","625997","Present"
-"2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 6,8-dimethyl-","","","","","","","","","","","","","","","","","","","","2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 6,8-dimethyl-","","CC1=CC2=C(C=C1)OC3C=CC(=O)C2(O3)C","IZUJPRIAZVAYNB-UHFFFAOYSA-N","434882",NA,"PDBC12966","359892","Present"
-"2,6-Epoxy-2H-3-benzoxocin-4-ol, 1,4,5,6-tetrahydro-6-methyl-, acetate","","","","","","","","","","","","","","","","","","","","(1-Methyl-10,13-dioxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl) acetate","","CC(=O)OC1CC2(C3=CC=CC=C3CC(O1)O2)C","XXWOJCKKEUPXBS-UHFFFAOYSA-N","375426",NA,"PDBC12967","655147","Present"
-"2,6-Epoxy-2H-3-benzoxocin-5-amine, 1,4,5,6-tetrahydro-N,N-dimethyl-","","","","","","","","","","","","","","","","","","","","2,6-Epoxy-2H-3-benzoxocin-5-amine, 1,4,5,6-tetrahydro-N,N-dimethyl-","","CN(C)C1COC2CC3=CC=CC=C3C1O2","JKIGOMMUIKXZSM-UHFFFAOYSA-N","379715",NA,"PDBC12968","664690","Present"
-"2,6-Epoxy-2H-3-benzoxocin-5-methanamine, 1,4,5,6-tetrahydro-N,N-dimethyl-alpha-phenyl-","","","","","","","","","","","","","","","","","","","","NSC664694///NSC664695","","CN(C)C(C1COC2CC3=CC=CC=C3C1O2)C4=CC=CC=C4","QIKSDPFYQLJKSW-UHFFFAOYSA-N","379719",NA,"PDBC12969","664694///664695","Present"
-"2,6-Epoxy-4H-3-benzoxocin-4-one, 1,2,5,6-tetrahydro-6-methyl-","","","","","","","","","","","","","","","","","","","","2,6-Epoxy-4H-3-benzoxocin-4-one, 1,2,5,6-tetrahydro-6-methyl-","","CC12CC(=O)OC(O1)CC3=CC=CC=C23","DMLTZSFJRDTOJH-UHFFFAOYSA-N","375427",NA,"PDBC12970","655148","Present"
-"2,6-Imino-7-O-beta-D-glucopyranosyl-D-glycero-L-gulo-heptitol hydrochloride hydrate","","","","","","","","","","","","","","","","","","","","2,6-Dideoxy-2,6-imino-7-O-.beta.-D-glucopyranosyl-D-glyc...","","C(C1C(C(C(C(N1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)O.Cl","YVNTXEWDZMUWDW-UHFFFAOYSA-N","364255",NA,"PDBC12971","630254","Present"
-"2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-5,11-dimethyl-2-(3-methyl-2-butenyl)-","","","","","","","","","","","","","","","","","","","","12,13-Dimethyl-9-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol","","CC1CNC2(CC3=C(C1C2C)C=C(C=C3)O)CC=C(C)C","GKRHGVFQRKXOAH-UHFFFAOYSA-N","379847",NA,"PDBC12972","664979","Present"
-"2,6-Octatrienoic acid","","","","","","","","","","","","","","","","","","","","2,4,6-Octatrienoic acid","","CC=CC=CC=CC(=O)O","IAAPVNQZSBLWKH-ZQCKCTFASA-N","5354656",NA,"PDBC12973","16188","Present"
-"2,6-Piperidine bis(phosphonic acid)","","","","","","","","","","","","","","","","","","","","(6-Phosphono-2-piperidyl)phosphonic acid","","C1CC(NC(C1)P(=O)(O)O)P(=O)(O)O","APRIPEPLXOGAFT-UHFFFAOYSA-N","363914",NA,"PDBC12974","629303","Present"
-"2,6-Piperidinedione, 3-(4-amino-2,3,5,6-tetrafluorophenyl)-3-ethyl-","","","","","","","","","","","","","","","","","","","","2,6-Piperidinedione, 3-ethyl-3-(4-amino-2,3,5,6- tetrafl...","","CCC1(CCC(=O)NC1=O)C2=C(C(=C(C(=C2F)F)N)F)F","VQMSWWCIWKGHRH-UHFFFAOYSA-N","364080",NA,"PDBC12975","629719","Present"
-"2,6-Piperidinedione,3-(4-aminophenyl)-3-heptyl-","","","","","","","","","","","","","","","","","","","","2,6-Piperidinedione,3-(4-aminophenyl)-3-heptyl-","","CCCCCCCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N","OSRMOQHQZPPFAZ-UHFFFAOYSA-N","360578",NA,"PDBC12976","622730","Present"
-"2,7,10,15,21-Pentaazabicyclo[15.3.1]heneicosa-1(21),17.19-triene dihydrochloride","","","","","","","","","","","","","","","","","","","","2,16-Dioxo-3,7,10,15,21-pentaazabicyclo[15.3.1]heneicosa...","","C1CNCCCNC(=O)C2=NC(=CC=C2)C(=O)NCCCNC1.Cl","YOPQCUSSGMODCR-UHFFFAOYSA-N","382436",NA,"PDBC12977","670003","Present"
-"2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one","","","","","","","","","","","","","","","","","","","","2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one","","CC1CC(=O)NC2CC1C2(C)C","YDTXUIIAVPEWLV-UHFFFAOYSA-N","376021",NA,"PDBC12978","656400","Present"
-"2,7,8-Trimethylbenzo[g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","2,7,8-Trimethylbenzo[g]quinoline-5,10-dione","","CC1=NC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C(=C3)C)C","ABDUPWLTOIFNIS-UHFFFAOYSA-N","386102",NA,"PDBC12979","677734","Present"
-"2,7,8-Tris(isobutyryloxy)-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl 2-methylpropanoate","","","","","","","","","","","","","","","","","","","","[7,13,14-Tris(2-methylpropanoyloxy)-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl] 2-methylpropanoate","","CC(C)C(=O)OC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC(=O)C(C)C)OC(=O)C(C)C)C(=O)O2)OC(=O)C(C)C","ZGFXODFJYKFSNE-UHFFFAOYSA-N","377345",NA,"PDBC12980","658786","Present"
-"2,7-(Epoxyethanooxyethanooxyethanooxyethanooxyethanooxy)acridine-9(10H)-thione, 10-methyl-","","","","","","","","","","","","","","","","","","","","29-Methyl-8,11,14,17,20,23-hexaoxa-29-azatetracyclo[22.3.1.13,7.14,27]triaconta-1(27),3,5,7(30),24(28),25-hexaene-2-thione","","CN1C2=C3C=C(C=C2)OCCOCCOCCOCCOCCOC4=CC(=C1C=C4)C3=S","CUTDYCXVBYTFSA-UHFFFAOYSA-N","378721",NA,"PDBC12981","661823","Present"
-"2,7-(Epoxyethanooxyethanooxyethanooxyethanooxyethanooxyethanooxy)acridin-9-amine","","","","","","","","","","","","","","","","","","","","8,11,14,17,20,23,26-Heptaoxa-32-azatetracyclo[25.3.1.13,7.14,30]tritriaconta-1,3,5,7(33),27(31),28,30(32)-heptaen-2-amine","","C1COCCOCCOC2=CC3=C(C=C2)N=C4C=CC(=CC4=C3N)OCCOCCOCCO1","SDXHPEIUMMSVSM-UHFFFAOYSA-N","378723",NA,"PDBC12982","661825","Present"
-"2,7-(Epoxyethanooxyethanooxyethanooxyethanooxyethanooxyethanooxy)acridine-9(10H)-thione, 10-methyl-","","","","","","","","","","","","","","","","","","","","32-Methyl-8,11,14,17,20,23,26-heptaoxa-32-azatetracyclo[25.3.1.13,7.14,30]tritriaconta-1(30),3,5,7(33),27(31),28-hexaene-2-thione","","CN1C2=C3C=C(C=C2)OCCOCCOCCOCCOCCOCCOC4=CC(=C1C=C4)C3=S","HHNJBDDZFYZPLE-UHFFFAOYSA-N","378722",NA,"PDBC12983","661824","Present"
-"2,7-Anthracenediacetic acid, 9,10-dihydro-1,8-dihydroxy-9,10-dioxo-, diethyl ester","","","","","","","","","","","","","","","","","","","","2,7-Anthracenediacetic acid, 9,10-dihydro-1,8-dihydroxy-9,10-dioxo-, diethyl ester","","CCOC(=O)CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=C(C=C3)CC(=O)OCC)O)O","YKHREYGYRHYQQG-UHFFFAOYSA-N","363405",NA,"PDBC12984","628309","Present"
-"2,7-Anthracenediethanoic acid,9,10-dihydro-1,8-dihydroxy-","","","","","","","","","","","","","","","","","","","","2,7-Anthracenediethanoic acid,9,10-dihydro-1,8-dihydroxy-","","C1=CC2=C(C(=C1CC(=O)O)O)C(=O)C3=C(C2=O)C=CC(=C3O)CC(=O)O","UCGKAJYBYNTEQZ-UHFFFAOYSA-N","374042",NA,"PDBC12985","651238","Present"
-"2,7-Bis(1-hydroxyethyl)thieno[2,3-f][1]benzothiole-4,8-dione","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2,7-bis(1-hydr...","","CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3C(C)O)O","UCYRPWDOWLXJHZ-UHFFFAOYSA-N","388026",NA,"PDBC12986","682451","Present"
-"2,7-Bis(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2,7-Bis(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)-1H-1,8-naphthyridin-4-one","","C1=CC=C2C(=C1)NC(=N2)C3=CC(=O)C4=C(N3)N=C(C=C4C5=CC=C(C=C5)Cl)C6=NC7=CC=CC=C7N6","PZQKLTKFYQAKAW-UHFFFAOYSA-N","5472425",NA,"PDBC12987","718695","Present"
-"2,7-Bis(1H-benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2,7-Bis(1H-benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1H-1,8-naphthyridin-4-one","","CSC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)C=C(N3)C4=NC5=CC=CC=C5N4)C6=NC7=CC=CC=C7N6","MDIXNOMRVRRILV-UHFFFAOYSA-N","5472426",NA,"PDBC12988","718696","Present"
-"2,7-Bis(2-(benzylamino)ethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone bis(4-methylbenzenesulfonate) dihydrate","","","","","","","","","","","","","","","","","","","","2,7-bis(2-(benzylamino)ethyl)benzo[lmn][3,8]phenanthroli...","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC=CC=C6)C2=O","WIEPTSVLJGFQSF-UHFFFAOYSA-N","60147756",NA,"PDBC12989","752362","Present"
-"2,7-Bis(3-(dimethylamino)propyl)-4,10-bis(3-(dimethylamino)propylamino)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone","","","","","","","","","","","","","","","","","","","","2,7-bis(3-(dimethylamino)propyl)-4,10-bis(3-(dimethylami...","","CN(C)CCCNC1=CC2=C(N(C(=O)C3=C2C4=C1C(=O)N(C(=O)C4=CC3=NCCCN(C)C)CCCN(C)C)CCCN(C)C)O","ZGVKBROBIHTXKM-UHFFFAOYSA-N","135875630",NA,"PDBC12990","753938","Present"
-"2,7-Bis(5-(4-methylpiperazin-1-yl)pentyl)-4,9-bis(5-(4-methylpiperazin-1-yl)pentylamino)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone diformate","","","","","","","","","","","","","","","","","","","","2,7-bis(5-(4-methylpiperazin-1-yl)pentyl)-4,9-bis(5-(4-m...","","CN1CCN(CC1)CCCCCNC2=CC3=C(N(C(=O)C4=C3C5=C2C(=O)N(C(=O)C5=CC4=NCCCCCN6CCN(CC6)C)CCCCCN7CCN(CC7)C)CCCCCN8CCN(CC8)C)O.C(=O)O","NGVHTSKQHXAYCW-UHFFFAOYSA-N","136040182",NA,"PDBC12991","753939","Present"
-"2,7-Bis(chloromethyl)-5,10-dimethoxy-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione","","","","","","","","","","","","","","","","","","","","2,7-Bis(chloromethyl)-5,10-dimethoxy-1,6-dihydropyrimido[4,5-g]quinazoline-4,9-dione","","COC1=C2C(=C(C3=C1C(=O)NC(=N3)CCl)OC)C(=O)NC(=N2)CCl","OWHWDRHQMJSJCN-UHFFFAOYSA-N","135409048",NA,"PDBC12992","656780","Present"
-"2,7-Bis(methoxycarbonylmethyl)-10-methylphenothiazine","","","","","","","","","","","","","","","","","","","","2,7-Bis(methoxycarbonylmethyl)-10-methylphenothiazine","","CN1C2=C(C=C(C=C2)CC(=O)OC)SC3=C1C=C(C=C3)CC(=O)OC","MFIZDNSYHGUUBM-UHFFFAOYSA-N","384444",NA,"PDBC12993","674225","Present"
-"2,7-Bis-(2-allylamino-ethyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dihydrochloride","","","","","","","","","","","","","","","","","","","","2,7-Bis-(2-allylamino-ethyl)-benzo[lmn][3,8]phenanthroli...","","C=CCNCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCNCC=C)C1=O.Cl","HAZXHZRPXCLZFZ-UHFFFAOYSA-N","60148337",NA,"PDBC12994","754154","Present"
-"2,7-Bis-(3-allylamino-propyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dihydrochloride","","","","","","","","","","","","","","","","","","","","2,7-Bis-(3-allylamino-propyl)-benzo[lmn][3,8]phenanthrol...","","C=CCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC=C)C1=O.Cl","YEJMCBPDORCDTR-UHFFFAOYSA-N","60148333",NA,"PDBC12995","754152","Present"
-"2,7-Bis-(3-benzylamino-propyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate","","","","","","","","","","","","","","","","","","","","2,7-Bis-(3-benzylamino-propyl)-benzo[lmn][3,8]phenanthro...","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6)C2=O.O","IJBXIFBSQZLFQM-UHFFFAOYSA-N","60147719",NA,"PDBC12996","752272","Present"
-"2,7-Bis-(3-prop-2-ynylamino-propyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dihydrochloride","","","","","","","","","","","","","","","","","","","","2,7-Bis-(3-prop-2-ynylamino-propyl)-benzo[lmn][3,8]phena...","","C#CCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC#C)C1=O.Cl","FAYJXKLTAICLII-UHFFFAOYSA-N","60148335",NA,"PDBC12997","754153","Present"
-"2,7-Bis-[12-(2-methoxy-benzylamino)-dodecyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-paratoluensulfonate dihydrate","","","","","","","","","","","","","","","","","","","","2,7-Bis-[12-(2-methoxy-benzylamino)-dodecyl]-benzo[lmn][...","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1CNCCCCCCCCCCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCCCCCCCCCCNCC6=CC=CC=C6OC)C2=O","LEGKTYHAISFGJC-UHFFFAOYSA-N","60147829",NA,"PDBC12998","752505","Present"
-"2,7-Bis-[2-(2,3,4-trimethoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate salt","","","","","","","","","","","","","","","","","","","","2,7-Bis-[2-(2,3,4-trimethoxy-benzylamino)-ethyl]-benzo[l...","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=C(C(=C(C=C6)OC)OC)OC)C2=O)OC)OC.O","IRWJVGHILOFKQO-UHFFFAOYSA-N","60147730",NA,"PDBC12999","752278","Present"
-"2,7-Bis-[2-(3,4,5-trimethoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dipara-toluensulfonate dihydrate salt","","","","","","","","","","","","","","","","","","","","2,7-Bis-[2-(3,4,5-trimethoxy-benzylamino)-ethyl]-benzo[l...","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=CC(=C1OC)OC)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC(=C(C(=C6)OC)OC)OC)C2=O","ZBLSAIQQBQDYHA-UHFFFAOYSA-N","60147825",NA,"PDBC13000","752503","Present"
-"2,7-Bis-[2-(3-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate","","","","","","","","","","","","","","","","","","","","2,7-Bis-[2-(3-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8...","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC(=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC(=CC=C6)OC)C2=O.O","PDFDWFUDSSHOSW-UHFFFAOYSA-N","60147724",NA,"PDBC13001","752275","Present"
-"2,7-Bis-[2-(4-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate","","","","","","","","","","","","","","","","","","","","2,7-Bis-[2-(4-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8...","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC=C(C=C6)OC)C2=O.O","RDOIPKDVLTUZNV-UHFFFAOYSA-N","60147726",NA,"PDBC13002","752276","Present"
-"2,7-Bis-[3-(2,3,4-trimethoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate","","","","","","","","","","","","","","","","","","","","2,7-Bis-[3-(2,3,4-trimethoxy-benzylamino)-propyl]-benzo[...","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=C(C(=C(C=C6)OC)OC)OC)C2=O)OC)OC.O","HXAFCSVYXJOSKU-UHFFFAOYSA-N","60147721",NA,"PDBC13003","752273","Present"
-"2,7-Bis-[3-(2-chloro-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate","","","","","","","","","","","","","","","","","","","","2,7-Bis-[3-(2-chloro-benzylamino)-propyl]-benzo[lmn][3,8...","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6Cl)C2=O)Cl.O","SRZOFNPQHMBPET-UHFFFAOYSA-N","60147715",NA,"PDBC13004","752270","Present"
-"2,7-Bis-[3-(2-fluoro-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate","","","","","","","","","","","","","","","","","","","","2,7-Bis-[3-(2-fluoro-benzylamino)-propyl]-benzo[lmn][3,8...","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6F)C2=O)F.O","HFPJXGIKBRUERV-UHFFFAOYSA-N","60147717",NA,"PDBC13005","752271","Present"
-"2,7-Bis-[3-(2-methoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate","","","","","","","","","","","","","","","","","","","","2,7-Bis-[3-(2-methoxy-benzylamino)-propyl]-benzo[lmn][3,...","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6OC)C2=O.O","DIWBOPQXNJSWFF-UHFFFAOYSA-N","60147723",NA,"PDBC13006","752274","Present"
-"2,7-Bis-[3-(3,4,5-trimethoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone diparatoluensulfonate dihydrate salt","","","","","","","","","","","","","","","","","","","","2,7-Bis-[3-(3,4,5-trimethoxy-benzylamino)-propyl]-benzo[...","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=CC(=C1OC)OC)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC(=C(C(=C6)OC)OC)OC)C2=O","MJOCBQIVFCWVAQ-UHFFFAOYSA-N","60147827",NA,"PDBC13007","752504","Present"
-"2,7-Diacetylbenzo[f][1]benzothiole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-b]thiophene-4,9-dione, 2,7-diacetyl-","","CC(=O)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)SC(=C3)C(=O)C","OGSTVKYZXKXSJY-UHFFFAOYSA-N","392895",NA,"PDBC13008","694073","Present"
-"2,7-Diamidinoxanthone dihydrochloride hydrate","","","","","","","","","","","","","","","","","","","","2,7-Diamidinoxanthone dihydrochloride hydrate","","C1=CC2=C(C=C1C(=N)N)C(=O)C3=C(O2)C=CC(=C3)C(=N)N.Cl","WWLKDHUCGIBBHU-UHFFFAOYSA-N","363842",NA,"PDBC13009","629108","Present"
-"2,7-Dibenzylidenecycloheptanone","","","","","","","","","","","","","","","","","","","","2,7-Dibenzylidinecycloheptanone","","C1CCC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","CDWCNIVDIALVDN-MXWIWYRXSA-N","5378310",NA,"PDBC13010","649638","Present"
-"2,7-Dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2,7-Dibromo-1,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one","","C1=C(C2=C(N1)C(=O)NC(=N2)Br)Br","MOSFCLIMILENOG-UHFFFAOYSA-N","135408951",NA,"PDBC13011","649054","Present"
-"2,7-Dibromoxanthone","","","","","","","","","","","","","","","","","","","","2,7-Dibromoxanthone","","C1=CC2=C(C=C1Br)C(=O)C3=C(O2)C=CC(=C3)Br","AOOPYZBRENDMPN-UHFFFAOYSA-N","363840",NA,"PDBC13012","629106","Present"
-"2,7-Dichloro-1H-imidazo[1,2-c]pyrimidine-5-thione","","","","","","","","","","","","","","","","","","","","2,7-Dichloro-1H-imidazo[1,2-c]pyrimidine-5-thione","","C1=C2NC(=CN2C(=S)N=C1Cl)Cl","NDQMCBYRPOZJNV-UHFFFAOYSA-N","3317089",NA,"PDBC13013","131919","Present"
-"2,7-Dichloro-3,7-dimethyl-1-octene","","","","","","","","","","","","","","","","","","","","2,6-dibromo-3,7-dichloro-3,7-dimethyl-1-octene","","CC(C)(C(CCC(C)(C(=C)Br)Cl)Br)Cl","BCDTUPZZPAMTHE-UHFFFAOYSA-N","378232",NA,"PDBC13014","660035","Present"
-"2,7-Dichloro-5-methyl[1,8]naphthyridin-3-amine","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-3-amine, 2,7-dichloro-5-methyl-","","CC1=CC(=NC2=NC(=C(C=C12)N)Cl)Cl","YSHQJRLPBAUONC-UHFFFAOYSA-N","387116",NA,"PDBC13015","680510","Present"
-"2,7-Dicyanoxanthone","","","","","","","","","","","","","","","","","","","","2,7-Dicyanoxanthone","","C1=CC2=C(C=C1C#N)C(=O)C3=C(O2)C=CC(=C3)C#N","CCNZAMXUHSZNLJ-UHFFFAOYSA-N","363841",NA,"PDBC13016","629107","Present"
-"2,7-Dihydroxyapogeissoschizine","","","","","","","","","","","","","","","","","","","","2,7-Dihydroxyapogeissoschizine","","CC=C1CN2CCC3(C4=CC=CC=C4N5C3(C2CC1C(=C5)C(=O)OC)O)O","ABALGCGSAUWIRD-DXNYSGJVSA-N","5468505",NA,"PDBC13017","670971","Present"
-"2,7-Diiodo-N~1~,N~1~,N~4~,N~4~-tetraisopropyl-1,4-cubanedicarboxamide","","","","","","","","","","","","","","","","","","","","2,7-Diiodo-N~1~,N~1~,N~4~,N~4~-tetraisopropyl-1,4-cubanedicarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C2C3(C45C(=O)N(C(C)C)C(C)C)I)I","YXFJDKVAJYJHEH-UHFFFAOYSA-N","369192",NA,"PDBC13018","640898","Present"
-"2,7-Diisopropyl-1H,6H-diimidazo[1,5-b:1,5-e][1,2,4,5]tetraazine-1,3,6,8(2H,7H)-tetrone","","","","","","","","","","","","","","","","","","","","5,11-Di(propan-2-yl)-1,2,5,7,8,11-hexazatricyclo[7.3.0.03,7]dodeca-2,8-diene-4,6,10,12-tetrone","","CC(C)N1C(=O)C2=NN3C(=NN2C1=O)C(=O)N(C3=O)C(C)C","GKMXZCAWYMAOPJ-UHFFFAOYSA-N","381183",NA,"PDBC13019","667514","Present"
-"2,7-Dimethoxy-4b-(4-methoxyphenyl)-9a-(4-nitrophenyl)-9,10-dihydroindeno[1,2-a]indene","","","","","","","","","","","","","","","","","","","","2,7-Dimethoxy-4b-(4-methoxyphenyl)-9a-(4-nitrophenyl)-9,10-dihydroindeno[1,2-a]indene","","COC1=CC=C(C=C1)C23C4=C(CC2(CC5=C3C=CC(=C5)OC)C6=CC=C(C=C6)[N+](=O)[O-])C=C(C=C4)OC","RVYBFQCNZYDFKY-UHFFFAOYSA-N","374288",NA,"PDBC13020","651807","Present"
-"2,7-Dimethoxy-9-(oxiran-2-ylmethylsulfanyl)acridine","","","","","","","","","","","","","","","","","","","","2,7-Dimethoxy-9-(oxiran-2-ylmethylsulfanyl)acridine","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCC4CO4)OC","RZJYXPKGGBAERB-UHFFFAOYSA-N","395394",NA,"PDBC13021","699930","Present"
-"2,7-Dimethoxy-9-(vinylsulfonyl)acridine","","","","","","","","","","","","","","","","","","","","AN-584/43502783","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)(=O)C=C)OC","FETZQIOHMSCAJT-UHFFFAOYSA-N","395402",NA,"PDBC13022","699938","Present"
-"2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfanyl]acridine","","","","","","","","","","","","","","","","","","","","2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfanyl]acridine","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCC4=CC=C(C=C4)[N+](=O)[O-])OC","ADQVOEHTIPRZRG-UHFFFAOYSA-N","395399",NA,"PDBC13023","699935","Present"
-"2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine","","","","","","","","","","","","","","","","","","","","2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CC4=CC=C(C=C4)[N+](=O)[O-])OC","CITQWVKNUSPDGX-UHFFFAOYSA-N","395400",NA,"PDBC13024","699936","Present"
-"2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfonyl]acridine","","","","","","","","","","","","","","","","","","","","2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfonyl]acridine","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)(=O)CC4=CC=C(C=C4)[N+](=O)[O-])OC","NLVWEJNTBSZBHX-UHFFFAOYSA-N","395401",NA,"PDBC13025","699937","Present"
-"2,7-Dimethoxy-9-[[2-(diethylamino)ethyl]thio]acridine","","","","","","","","","","","","","","","","","","","","2,7-Dimethoxy-9-[[2-(diethylamino)ethyl]thio]acridine","","CCN(CC)CCSC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC","FTXHPXJPAANONC-UHFFFAOYSA-N","395391",NA,"PDBC13026","699927","Present"
-"2,7-Dimethyl-6-vinyl-10,11-dihydro-dibenz[b,f] oxepin","","","","","","","","","","","","","","","","","","","","2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydro-dibenz[...","","CC1=C(C=CC2=C1CCC3=CC(=C(C(=C3O2)C=C)C)OC)OC","SFBOMSGACAXEJX-UHFFFAOYSA-N","381569",NA,"PDBC13027","668358","Present"
-"2,7-Dimethyl-phenothiazone","","","","","","","","","","","","","","","","","","","","2,7-Dimethyl-phenothiazone","","CC1=CC2=C(C=C1)N=C3C=C(C(=O)C=C3S2)C","TVVHYPAXJOOOSG-UHFFFAOYSA-N","369391",NA,"PDBC13028","641155","Present"
-"2,7-Dimethylbenzo[g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","2,7-Dimethylbenzo[g]quinoline-5,10-dione","","CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=N3)C","ZEAIDLOIWYDULE-UHFFFAOYSA-N","388308",NA,"PDBC13029","682998","Present"
-"2,7-Dimorpholino-1,6-dithia-3,4,5,8-tetraaza-as-indacene","","","","","","","","","","","","","","","","","","","","2,7-Dimorpholino-1,6-dithia-3,4,5,8-tetraaza-as-indacene","","C1COCCN1C2=NC3=C4C(=NN=C3S2)N=C(S4)N5CCOCC5","CGWNZBITDQHZDT-UHFFFAOYSA-N","398023",NA,"PDBC13030","707096","Present"
-"2,7-Dinitro-9,10-phenanthrenedione","","","","","","","","","","","","","","","","","","","","Neuro_000017","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)C3=C2C=CC(=C3)[N+](=O)[O-]","NLYJKDKBQGPHLE-UHFFFAOYSA-N","95759",NA,"PDBC13031","33530","Present"
-"2,7-Dinitro-9h-fluoren-9-one oxime","","","","","","","","","","","","","","","","","","","","2,7-Dinitro-9h-fluoren-9-one oxime","","C1=CC2=C(C=C1[N+](=O)[O-])C(=NO)C3=C2C=CC(=C3)[N+](=O)[O-]","ASHANQNSFRKUPX-UHFFFAOYSA-N","276243",NA,"PDBC13032","123814","Present"
-"2,7-Diphenyl-1,5-dihydro[1,8]naphthyridine-4a(4H)-carbonitrile","","","","","","","","","","","","","","","","","","","","2,7-Diphenyl-1,5-dihydro[1,8]naphthyridine-4a(4H)-carbonitrile","","C1C=C(NC2=NC(=CCC21C#N)C3=CC=CC=C3)C4=CC=CC=C4","CJIVDAHLJKTXME-UHFFFAOYSA-N","384655",NA,"PDBC13033","674700","Present"
-"2,7-Diphenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one","","","","","","","","","","","","","","","","","","","","2,7-Diphenyl-5,6-dihydro-4h-pyrrolo[2,3-d]pyridazin-4-one","","C1=CC=C(C=C1)C2=CC3=C(N2)C(=NNC3=O)C4=CC=CC=C4","VDGVTNRWVHXAFN-UHFFFAOYSA-N","135426724",NA,"PDBC13034","711311","Present"
-"2,7-Diphenyl-1H,6H-diimidazo[1,5-b:1,5-e][1,2,4,5]tetraazine-1,3,6,8(2H,7H)-tetrone","","","","","","","","","","","","","","","","","","","","5,11-Diphenyl-1,2,5,7,8,11-hexazatricyclo[7.3.0.03,7]dodeca-2,8-diene-4,6,10,12-tetrone","","C1=CC=C(C=C1)N2C(=O)C3=NN4C(=NN3C2=O)C(=O)N(C4=O)C5=CC=CC=C5","HIGIECWFVNHHFZ-UHFFFAOYSA-N","381870",NA,"PDBC13035","669039","Present"
-"2,7-Ditert-butyl-9-phenyl-10-(trifluoromethyl)anthracene-9,10-diol","","","","","","","","","","","","","","","","","","","","2,7-Ditert-butyl-9-phenyl-10-(trifluoromethyl)anthracene-9,10-diol","","CC(C)(C)C1=CC2=C(C=C1)C(C3=C(C2(C4=CC=CC=C4)O)C=C(C=C3)C(C)(C)C)(C(F)(F)F)O","OKLCRAQGBMZXNJ-UHFFFAOYSA-N","357629",NA,"PDBC13036","617153","Present"
-"2,7-Naphthyridine-1,3,6,8-tetrol","","","","","","","","","","","","","","","","","","","","C8H6N2O4","","C1=C2C=C(NC(=O)C2=C(NC1=O)O)O","PEHAPVAHJLCRSR-UHFFFAOYSA-N","135406078",NA,"PDBC13037","625184","Present"
-"2,7-Tri-O-isopropylidene-beta-D-arabino-L-erythro-oct-4-ulo-4,8-pyranose","","","","","","","","","","","","","","","","","","","","2,3:5:6,7-Tri-O-isopropylidene-.beta.-D-arabino-L-erythr...","","CC1(OC2COC3(C(C2O1)OC(O3)(C)C)C4C(OC(O4)(C)C)CO)C","TYRFSVLXABMDCR-UPYDLTLLSA-N","395852",NA,"PDBC13038","700855","Present"
-"2,7-Tribromo-3-chloro-3,7-dimethyl-1-octene","","","","","","","","","","","","","","","","","","","","2,6,7-tribromo-3-chloro-3,7-dimethyl-1-octene","","CC(C)(C(CCC(C)(C(=C)Br)Cl)Br)Br","VYTHSQCDAGXZGQ-UHFFFAOYSA-N","376324",NA,"PDBC13039","657138","Present"
-"2,7-Tris(ethylthio)-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]py rimidine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","2,4,7-Tris(ethylthio)-5-(3,4-dimethoxyphenyl)pyrido[2,3-...","","CCSC1=NC2=C(C(=C1C#N)C3=CC(=C(C=C3)OC)OC)C(=NC(=N2)SCC)SCC","BGUZIEPZTIMLAE-UHFFFAOYSA-N","24204320",NA,"PDBC13040","731362","Present"
-"2,7a-Diphenyl-6,7-dihydro-5H-pyrrolo[2,1-b][1,3,4]thiadiazole-7-carbonitrile","","","","","","","","","","","","","","","","","","","","2,7a-Diphenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3,4]thiadiazole-7-carbonitrile","","C1CN2C(C1C#N)(SC(=N2)C3=CC=CC=C3)C4=CC=CC=C4","YMSONQZEIIDFRD-UHFFFAOYSA-N","400615",NA,"PDBC13041","712737","Present"
-"2,8,9,10a-Tetraaza-4a-azonia-anthracene","","","","","","","","","","","","","","","","","","","","NSC723827","","CC1=NC2=NC3=[N+](CN2C=C1)C=CC(=N3)C.[I-]","MFNSBVOPHJBTJB-UHFFFAOYSA-M","405972",NA,"PDBC13042","723827","Present"
-"2,8,9-Tetramethoxy-11H-indeno[1,2-c]isoquinoline hydrochloride","","","","","","","","","","","","","","","","","","","","2,3,8,9-Tetramethoxy-11H-indeno[1,2-c]isoquinoline hydro...","","COC1=C(C=C2C(=C1)CC3=C2N=CC4=CC(=C(C=C34)OC)OC)OC.Cl","ZEPTXGLXEXYSAW-UHFFFAOYSA-N","45027860",NA,"PDBC13043","729474","Present"
-"2,8,9-Trimethoxy-5-methyl-5lambda(5)-benzo(c)phenanthridin-3-ol","","","","","","","","","","","","","","","","","","","","Benzo[c]phenthridinium, 3-hydroxy-2,8,9-trimethoxy- 5-me...","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)O)OC)OC.[Cl-]","WWGXSIQLTYDQBL-UHFFFAOYSA-N","11315160",NA,"PDBC13044","246014","Present"
-"2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile","","","","","","","","","","","","","","","","","","","","4-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-yl)butanenitrile","","C1CO[Si]2(OCCN1CCO2)CCCC#N","CGPZMTAMGCNLFK-UHFFFAOYSA-N","144904",NA,"PDBC13045","626548","Present"
-"2,8-Bis(3,4,5-trimethoxyphenyl)pyrano[3,2-g]chromene-4,6-dione","","","","","","","","","","","","","","","","","","","","2,8-Bis(3,4,5-trimethoxyphenyl)pyrano[3,2-g]chromene-4,6-dione","","COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=CC4=C(C=C3O2)OC(=CC4=O)C5=CC(=C(C(=C5)OC)OC)OC","VAJCUPZKJQVAFX-UHFFFAOYSA-N","386069",NA,"PDBC13046","677640","Present"
-"2,8-Bis(3-hydroxypropyl)-2,8-dimethylcyclooctanone","","","","","","","","","","","","","","","","","","","","2,8-Bis(3-hydroxypropyl)-2,8-dimethylcyclooctanone","","CC1(CCCCCC(C1=O)(C)CCCO)CCCO","DCRFXDVFSUXTGD-UHFFFAOYSA-N","385906",NA,"PDBC13047","677307","Present"
-"2,8-Bis(chloromethyl)-5,10-dimethoxy-3,7-dimethylpyrimido[5,4-g]quinazoline-4,6-dione","","","","","","","","","","","","","","","","","","","","2,8-Bis(chloromethyl)-5,10-dimethoxy-3,7-dimethylpyrimido[5,4-g]quinazoline-4,6(3h,7h)-dione","","CN1C(=NC2=C(C1=O)C(=C3C(=C2OC)N=C(N(C3=O)C)CCl)OC)CCl","VKSJJUUHXCNOMO-UHFFFAOYSA-N","385308",NA,"PDBC13048","676424","Present"
-"2,8-Diazaspiro[5.5]undecane-1,3,7,9-tetrone","","","","","","","","","","","","","","","","","","","","NSC650736","","C1CC2(CCC(=O)NC2=O)C(=O)NC1=O","VLXWUMRXYIGSMF-UHFFFAOYSA-N","223267",NA,"PDBC13049","650736","Present"
-"2,8-Diazaspiro[5.5]undecane-1,7-dione","","","","","","","","","","","","","","","","","","","","2951AC","","C1CC2(CCCNC2=O)C(=O)NC1","NBYYWDISYKXXLL-UHFFFAOYSA-N","373773",NA,"PDBC13050","650737","Present"
-"2,8-Dibenzyl-1,2,3,7,8,9-hexahydro-4,10-dioxa-2,8-diaza-chrysene","","","","","","","","","","","","","","","","","","","","Naphtho[2,1-e:6,5-e']bis[1,3]oxazine, 1,2,3,7,8,9-hexahy...","","C1C2=C(C3=C(C=C2)C4=C(CN(CO4)CC5=CC=CC=C5)C=C3)OCN1CC6=CC=CC=C6","WPCIJWIOBUMZMG-UHFFFAOYSA-N","254598",NA,"PDBC13051","79050","Present"
-"2,8-Dibutyl-4-(4-ethoxyphenyl)-6,6,7,7-tetramethyl-2,4,8-triazabicyclo[3.2.1]octan-3-one","","","","","","","","","","","","","","","","","","","","2,4,8-Triazabicyclo[3.2.1]octan-3-one, 2,8-dibutyl- 4-(4...","","CCCCN1C2C(C(C1N(C(=O)N2CCCC)C3=CC=C(C=C3)OCC)(C)C)(C)C","LMMIGDVIKSSQIE-UHFFFAOYSA-N","426557",NA,"PDBC13052","193934","Present"
-"2,8-Dimethoxy-6,11-dihydro-5H-benzo[a]carbazole","","","","","","","","","","","","","","","","","","","","2,8-Dimethoxy-6,11-dihydro-5H-benzo[a]carbazole","","COC1=CC2=C(CCC3=C2NC4=C3C=C(C=C4)OC)C=C1","HXXNUAKRHBYITD-UHFFFAOYSA-N","390902",NA,"PDBC13053","689077","Present"
-"2,8-Dimethyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine","","","","","","","","","","","","","","","","","","","","2,8-Dimethyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine","","CC1=CC2=C(C=C1)NCC3=C(C=CC(=C3)C)NC2","FIYXWLXBQFGGSN-UHFFFAOYSA-N","361905",NA,"PDBC13054","625317","Present"
-"2,8-Dimethylbenzo[g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","2,8-Dimethylbenzo[g]quinoline-5,10-dione","","CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)N=C(C=C3)C","SVLXQOQGBMKLGA-UHFFFAOYSA-N","388307",NA,"PDBC13055","682997","Present"
-"2,8-Dinitropyrido[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","AQ-776/42801169","","C1=CC2=C(C=C1[N+](=O)[O-])N3C=C(C=CC3=N2)[N+](=O)[O-]","YZTPFAASBUIUKE-UHFFFAOYSA-N","392520",NA,"PDBC13056","693036","Present"
-"2,8-Methylenedioxy-11H-indeno[1,2-c]isoqu inoline Hydrychloride","","","","","","","","","","","","","","","","","","","","2,3-Methylenedioxy-7,8-methylenedioxy-11H-indeno[1,2-c]i...","","C1C2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C=N4)OCO6)OCO3.Cl","UVXHFVMFUKOCJH-UHFFFAOYSA-N","11427824",NA,"PDBC13057","730920","Present"
-"2,8]Phenanthroline-1,3,6,8-tetraone bis tosylate salt","","","","","","","","","","","","","","","","","","","","2,7-Bis-[2-(2-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8...","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC=CC=C6OC)C2=O","UGTQQMWDKQVUJJ-UHFFFAOYSA-N","54613234",NA,"PDBC13058","750892","Present"
-"2,9,10,16,17,22,23-Octa-(4-hydroxy-phenoxy)phthalocyanin","","","","","","","","","","","","","","","","","","","","2,3,9,10,16,17,22,23-Octa-(4-hydroxy-phenoxy)phthalocyanin","","C1=CC(=CC=C1O)OC2=CC3=C4NC(=C3C=C2OC5=CC=C(C=C5)O)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=NC1=NC(=N4)C2=CC(=C(C=C21)OC1=CC=C(C=C1)O)OC1=CC=C(C=C1)O)N8)OC1=CC=C(C=C1)O)OC1=CC=C(C=C1)O)OC1=CC=C(C=C1)O)OC1=CC=C(C=C1)O","KXGFCTJFKLRKKD-UHFFFAOYSA-N","16134273",NA,"PDBC13059","670002","Present"
-"2,9,11,12-Tetrazapentacyclo[11.9.0.02,10.03,8.017,22]docosa-1(13),3,5,7,9,11,17,19,21-nonaene","","","","","","","","","","","","","","","","","","","","2,9,11,12-Tetrazapentacyclo[11.9.0.02,10.03,8.017,22]docosa-1(13),3,5,7,9,11,17,19,21-nonaene","","C1CC2=CC=CC=C2C3=C(C1)N=NC4=NC5=CC=CC=C5N34","VFVFEMPHDGMDFQ-UHFFFAOYSA-N","54612792",NA,"PDBC13060","750274","Present"
-"2,9,11,18,19,26-Hexamethyl-2,9,11,18,19,26-hexazahexacyclo[8.8.8.01,10.03,8.012,17.020,25]hexacosa-3,5,7,12,14,16,20,22,24-nonaene","","","","","","","","","","","","","","","","","","","","2,9,11,18,19,26-Hexamethyl-2,9,11,18,19,26-hexazahexacyclo[8.8.8.01,10.03,8.012,17.020,25]hexacosa-3,5,7,12,14,16,20,22,24-nonaene","","CN1C2=CC=CC=C2N(C34C1(N(C5=CC=CC=C5N3C)C)N(C6=CC=CC=C6N4C)C)C","UIRDUSIKQUGNKG-UHFFFAOYSA-N","365520",NA,"PDBC13061","633208","Present"
-"2,9,11-Triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(15),3(7),10,12(16),13-pentaen-8-one","","","","","","","","","","","","","","","","","","","","2,9,11-Triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(15),3(7),10,12(16),13-pentaen-8-one","","C1CC2=C(C1)NC3=CC=CC4=C3N(C2=O)C=N4","GOKNRDNWMQIRMM-UHFFFAOYSA-N","375447",NA,"PDBC13062","655179","Present"
-"2,9,19-Triazatetracyclo[9.8.0.03,8.012,18]nonadeca-1(11),3,5,7,12,14,16,18-octaen-10-one","","","","","","","","","","","","","","","","","","","","2,9,19-Triazatetracyclo[9.8.0.03,8.012,18]nonadeca-1(11),3,5,7,12,14,16,18-octaen-10-one","","C1=CC=C2C(=NC3=C2C(=O)NC4=CC=CC=C4N3)C=C1","XIUTZPAFRAWZOH-UHFFFAOYSA-N","6711833",NA,"PDBC13063","644721","Present"
-"2,9-(Methylenedioxy)-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","2,3-Dimethyl-8,9-(methylenedioxy)-11H-indeno[1,2-c]isoqu...","","COC1=C(C=C2C3=C(C4=CC5=C(C=C4C3)OCO5)N=CC2=C1)OC.Cl","XJFXRFAHVPNAHA-UHFFFAOYSA-N","11976942",NA,"PDBC13064","709756","Present"
-"2,9-Bis(bromomethyl)-1,10-phenanthroline","","","","","","","","","","","","","","","","","","","","2,9-Bis(bromomethyl)-1,10-phenanthroline","","C1=CC2=C(C3=C1C=CC(=N3)CBr)N=C(C=C2)CBr","DGDBWGQSYCEWHT-UHFFFAOYSA-N","353741",NA,"PDBC13065","602850","Present"
-"2,9-Bis(chloromethyl)-1,10-phenanthroline","","","","","","","","","","","","","","","","","","","","2,9-Bis(chloromethyl)-1,10-phenanthroline","","C1=CC2=C(C3=C1C=CC(=N3)CCl)N=C(C=C2)CCl","VHSRCSBZOPMBPA-UHFFFAOYSA-N","353740",NA,"PDBC13066","602849","Present"
-"2,9-Diamine, N,N,N',N'-tetrakis(2-chloroethyl)-, dihydrochloride (MF1)","","","","","","","","","","","","","","","","","","","","2,7-Nonadiyne-1,9-diamine, N,N,N',N'-tetrakis(2-chloroet...","","C(CC#CCN(CCCl)CCCl)CC#CCN(CCCl)CCCl.Cl","UDASEIAOTOTJCW-UHFFFAOYSA-N","54598368",NA,"PDBC13067","169716","Present"
-"2,9-Dibenzyl-1-methyl-7-phenylmethoxypyrido[3,4-b]indol-2-ium","","","","","","","","","","","","","","","","","","","","9-benzyl-7-benzyloxy-2-benzyl-1-methyl-9H-carbolinium br...","","CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6","BRLRIFFHVZNKFH-UHFFFAOYSA-N","54766738",NA,"PDBC13068","760180","Present"
-"2,9-Dimethoxy-6-(2-(piperidin-1-yl)ethoxy)-11H-indeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","2,9-dimethoxy-6-(2-(piperidin-1-yl)ethoxy)-11H-indeno[1,...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=CC(=C4)OC)N=C3OCCN5CCCCC5","AOOSGAURZWVDSJ-UHFFFAOYSA-N","54673454",NA,"PDBC13069","754240","Present"
-"2,9-Dimethylellipticinium acetate","","","","","","","","","","","","","","","","","","","","2,9-dimethylellipticinium acetate","","CC1=CC2=C(C=C1)NC3=C2C(=C4C=[N+](C=CC4=C3C)C)C.CC(=O)[O-]","UFHIGSVKGJUWBM-UHFFFAOYSA-N","10472068",NA,"PDBC13070","639364","Present"
-"2,9-dibromopaullone","","","","","","","","","","","","","","","","","","","","2,9-dibromopaullone","","C1C2=C(C3=C(C=CC(=C3)Br)NC1=O)NC4=C2C=C(C=C4)Br","KIZLESRPUNYYNU-UHFFFAOYSA-N","395804",NA,"PDBC13071","700692","Present"
-"2,9]Undecane","","","","","","","","","","","","","","","","","","","","2,6-bishydroxyimino-1-methyl-4-(4-morpholinyl)-tricyclo[...","","CC12CC3CCC(=NO)C(C1)C3(CC2=NO)N4CCOCC4","GKELHXYNBNIXOX-XINBEAJESA-N","9571466",NA,"PDBC13072","666708","Present"
-"2-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-2-ethyl-1-butanol","","","","","","","","","","","","","","","","","","","","2-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-2-ethyl-1-butanol","","CCC(CC)(CNC1=CC(=NC(=N1)N)Cl)CO","YIAWJZURLDKQHU-UHFFFAOYSA-N","385212",NA,"PDBC13073","676325","Present"
-"2-(((2-Hydroxyethyl)(methyl)amino)methyl)-3-pyridinol","","","","","","","","","","","","","","","","","","","","2-(((2-Hydroxyethyl)(methyl)amino)methyl)-3-pyridinol","","CN(CCO)CC1=C(C=CC=N1)O","UNAOAABHBPDLMI-UHFFFAOYSA-N","258769",NA,"PDBC13074","88065","Present"
-"2-(((3,4-Dimethoxyphenyl)thio)methyl)-1,4-dimethoxybenzene","","","","","","","","","","","","","","","","","","","","2-(((3,4-Dimethoxyphenyl)thio)methyl)-1,4-dimethoxybenzene","","COC1=CC(=C(C=C1)OC)CSC2=CC(=C(C=C2)OC)OC","WDYADNBAOWNPID-UHFFFAOYSA-N","384141",NA,"PDBC13075","673428","Present"
-"2-(((3-(4-Methylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino)carbonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(((3-(4-Methylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino)carbonyl)benzoic acid","","CC1=CC=C(C=C1)C2=NNC(=O)N2NC(=O)C3=CC=CC=C3C(=O)O","QQRWCWVNNZNERE-UHFFFAOYSA-N","386450",NA,"PDBC13076","678479","Present"
-"2-(((3-Chloro-4-(4-chlorophenoxy)phenyl)imino)methyl)phenol","","","","","","","","","","","","","","","","","","","","2-(((3-Chloro-4-(4-chlorophenoxy)phenyl)imino)methyl)phenol","","C1=CC=C(C(=C1)C=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl)O","VYOWGNPASOCHRS-UHFFFAOYSA-N","392947",NA,"PDBC13077","694161","Present"
-"2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-phenylhydrazinecarbothioamide","","","","","","","","","","","","","","","","","","","","2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-phenylhydrazinecarbothioamide","","C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NNC(=S)NC3=CC=CC=C3)C4=CC=CC=C4","DYGUFDBATCHVTI-UHFFFAOYSA-N","3004405",NA,"PDBC13078","650817","Present"
-"2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-propylhydrazinecarbothioamide","","","","","","","","","","","","","","","","","","","","2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-propylhydrazinecarbothioamide","","CCCNC(=S)NNC(=O)CSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3","YBWWXYYYMOZLFA-UHFFFAOYSA-N","3004404",NA,"PDBC13079","650816","Present"
-"2-(((4-Methyl-2-oxo-2H-chromen-7-yl)oxy)methyl)-3-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(((4-Methyl-2-oxo-2H-chromen-7-yl)oxy)methyl)-3-phenyl-4(3H)-quinazolinone","","CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5","ACHBDNDMAZNYLJ-UHFFFAOYSA-N","370242",NA,"PDBC13080","643012","Present"
-"2-(((Acetyloxy)imino)methyl)-3-pyridinyl acetate","","","","","","","","","","","","","","","","","","","","2-(((Acetyloxy)imino)methyl)-3-pyridinyl acetate","","CC(=O)OC1=C(N=CC=C1)C=NOC(=O)C","PASSJYOVVYMNDP-WUXMJOGZSA-N","9571334",NA,"PDBC13081","644878","Present"
-"2-(((Aminocarbonyl)amino)carbonyl)cyclohexanecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-(((Aminocarbonyl)amino)carbonyl)cyclohexanecarboxylic acid","","C1CCC(C(C1)C(=O)NC(=O)N)C(=O)O","MWBBAOUJSUEBDM-UHFFFAOYSA-N","271298",NA,"PDBC13082","114766","Present"
-"2-(((Benzoylamino)(isopropylamino)methylene)amino)-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide","","","","","","","","","","","","","","","","","","","","N-(3.4-dicarbamoyl-5-ethylthiopyrrol-2-yl)-N'-benzoyl-N'...","","CCSC1=C(C(=C(N1)NC(=NC(C)C)NC(=O)C2=CC=CC=C2)C(=O)N)C(=O)N","BEQDXDPJYMYIOC-UHFFFAOYSA-N","378536",NA,"PDBC13083","661170","Present"
-"2-((1,2-Bis(2-chlorophenyl)hydrazino)methyl)pyridine","","","","","","","","","","","","","","","","","","","","2-((1,2-Bis(2-chlorophenyl)hydrazino)methyl)pyridine","","C1=CC=C(C(=C1)NN(CC2=CC=CC=N2)C3=CC=CC=C3Cl)Cl","CZQPBYNQKJYXJR-UHFFFAOYSA-N","283212",NA,"PDBC13084","137579","Present"
-"2-((1,2-Diphenylhydrazino)methyl)pyrazine","","","","","","","","","","","","","","","","","","","","2-((1,2-Diphenylhydrazino)methyl)pyrazine","","C1=CC=C(C=C1)NN(CC2=NC=CN=C2)C3=CC=CC=C3","VBXKYNWQDHSKJK-UHFFFAOYSA-N","283213",NA,"PDBC13085","137580","Present"
-"2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)-1,3-thiazolidine-2-carboxylic acid 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)-1,3-thiazolidine-2-carboxylic acid 1,1-dioxide","","C1CS(=O)(=O)C(N1)(CN2C(=O)C3=CC=CC=C3C2=O)C(=O)O","UUEDUBJECGVUTD-UHFFFAOYSA-N","274695",NA,"PDBC13086","120877","Present"
-"2-((1,4-Dimethoxy-9-acridinyl)thio)-N,N-diethylethanamine","","","","","","","","","","","","","","","","","","","","2-((1,4-Dimethoxy-9-acridinyl)thio)-N,N-diethylethanamine","","CCN(CC)CCSC1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)OC","JZXAAMBURSYXLD-UHFFFAOYSA-N","362326",NA,"PDBC13087","625985","Present"
-"2-((1-(3,4-Dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-((1-(3,4-Dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid","","CC(C)(CN1CCCCC1)C(=O)CC(C2=CC(=C(C=C2)Cl)Cl)SCCS(=O)(=O)O","CCUSHBCCOCSMDD-UHFFFAOYSA-N","377756",NA,"PDBC13088","659347","Present"
-"2-((1-(3-(2-Methoxyanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((1-(3-(2-Methoxyanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid","","CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2OC)C)N=NC3=CC=CC=C3C(=O)O","DTCIRRCZDNEKGA-UHFFFAOYSA-N","369705",NA,"PDBC13089","641752","Present"
-"2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid","","CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=C(C=C2)Cl)C)N=NC3=CC=CC=C3C(=O)O","IISKFTLOZHCANH-UHFFFAOYSA-N","369706",NA,"PDBC13090","641753","Present"
-"2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid","","C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=CC=C5C(=O)O","DKHWWLRHWKHLRD-UHFFFAOYSA-N","383189",NA,"PDBC13091","671310","Present"
-"2-((1-(3-(4-Methoxyanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((1-(3-(4-Methoxyanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid","","CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=C(C=C2)OC)C)N=NC3=CC=CC=C3C(=O)O","QNWOKZPUFYMYEW-UHFFFAOYSA-N","369704",NA,"PDBC13092","641751","Present"
-"2-((1-(3-(4-Methoxyanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((1-(3-(4-Methoxyanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid","","COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4C(=O)O)C5=CC=CC=C5","HFAVYURVBBQBOW-UHFFFAOYSA-N","369708",NA,"PDBC13093","641755","Present"
-"2-((1-(3-(Hydroxy(oxido)amino)phenyl)ethyl)amino)-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","2-((1-(3-(Hydroxy(oxido)amino)phenyl)ethyl)amino)-4,5-dihydro-1,3-oxazole","","CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NCCO2","KVVHQNQNFJVBTN-UHFFFAOYSA-N","379841",NA,"PDBC13094","664973","Present"
-"2-((1-(4-Chlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-((1-(4-Chlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid","","CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)Cl)SCCS(=O)(=O)O","XTBVWNNCEKSYAE-UHFFFAOYSA-N","377755",NA,"PDBC13095","659346","Present"
-"2-((1-(4-Methoxyphenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-((1-(4-Methoxyphenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid","","CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)OC)SCCS(=O)(=O)O","KLOBKYUHYUPQQP-UHFFFAOYSA-N","377754",NA,"PDBC13096","659345","Present"
-"2-((1-Adamantyl(methyl)amino)methyl)-3-piperidinol","","","","","","","","","","","","","","","","","","","","2-[[(N-Adamant-1-yl-N-methyl)amino]methyl]-3-hydroxy- pi...","","CN(CC1C(CCCN1)O)C23CC4CC(C2)CC(C4)C3","SMEQDMDVBRCDML-UHFFFAOYSA-N","368153",NA,"PDBC13097","638502","Present"
-"2-((1-Chloro-2-naphthyl)amino)-4H-3,1-benzothiazin-4-one","","","","","","","","","","","","","","","","","","","","2-((1-Chloro-2-naphthyl)amino)-4H-3,1-benzothiazin-4-one","","C1=CC=C2C(=C1)C=CC(=C2Cl)NC3=NC4=CC=CC=C4C(=O)S3","YQSYLQBYSMAPKL-UHFFFAOYSA-N","376550",NA,"PDBC13098","657565","Present"
-"2-((1-Methoxy-5-oxo-5H-benzo[a]cyclohepten-4-yl)oxy)butanoic acid","","","","","","","","","","","","","","","","","","","","2-((1-Methoxy-5-oxo-5H-benzo[a]cyclohepten-4-yl)oxy)butanoic acid","","CCC(C(=O)O)OC1=C2C(=C(C=C1)OC)C=CC=CC2=O","FOSKEUOTQUACNL-UHFFFAOYSA-N","361607",NA,"PDBC13099","624792","Present"
-"2-((1-Methoxy-5-oxo-5H-benzo[a]cyclohepten-4-yl)oxy)propanoic acid","","","","","","","","","","","","","","","","","","","","2-((1-Methoxy-5-oxo-5H-benzo[a]cyclohepten-4-yl)oxy)propanoic acid","","CC(C(=O)O)OC1=C2C(=C(C=C1)OC)C=CC=CC2=O","KEMGBYCHTLGPRT-UHFFFAOYSA-N","361606",NA,"PDBC13100","624791","Present"
-"2-((13-((2-(Acetyloxy)ethoxy)methyl)-6-benzyl-5,7-dioxo-6,7-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12-yl)methoxy)ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[23-(2-Acetyloxyethoxymethyl)-13-benzyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl]methoxy]ethyl acetate","","CC(=O)OCCOCN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)COCCOC(=O)C)C(=O)N(C4=O)CC7=CC=CC=C7","KHBRSEBZJQSXEZ-UHFFFAOYSA-N","363808",NA,"PDBC13101","629022","Present"
-"2-((1H-Benzimidazol-2-ylamino)carbonyl)cyclohexanecarboxylic acid","","","","","","","","","","","","","","","","","","","","F3386-2540","","C1CCC(C(C1)C(=O)NC2=NC3=CC=CC=C3N2)C(=O)O","BERSTTUHHVIHQK-UHFFFAOYSA-N","262228",NA,"PDBC13102","95666","Present"
-"2-((1R,2R)-2-Aminocyclohexylamino)-4-(4-(methylsulfonyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one","","","","","","","","","","","","","","","","","","","","2-((1R,2R)-2-aminocyclohexylamino)-4-(4-(methylsulfonyl)...","","CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2C(=O)NC=C3)NC4CCCCC4N","DVWCWBAFIKQUNR-CABCVRRESA-N","60147618",NA,"PDBC13103","751833","Present"
-"2-((1R,2S)-2-Aminocyclohexylamino)-4-(3,5-dimethoxyphenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one","","","","","","","","","","","","","","","","","","","","2-((1R,2S)-2-aminocyclohexylamino)-4-(3,5-dimethoxypheny...","","COC1=CC(=CC(=C1)NC2=NC(=NC3=C2C(=O)NC=C3)NC4CCCCC4N)OC","RLUGWPXUSLZDDZ-HOTGVXAUSA-N","60147620",NA,"PDBC13104","751836","Present"
-"2-((2,2-Dimethylpropanoyl)oxy)-1-(((phenylacetyl)oxy)methyl)ethyl octanoate","","","","","","","","","","","","","","","","","","","","2-((2,2-Dimethylpropanoyl)oxy)-1-(((phenylacetyl)oxy)methyl)ethyl octanoate","","CCCCCCCC(=O)OC(COC(=O)CC1=CC=CC=C1)COC(=O)C(C)(C)C","DYLCVHSPZIKFNE-UHFFFAOYSA-N","372447",NA,"PDBC13105","647561","Present"
-"2-((2,2-Diphenylcyclopentyl)oxy)vinyl benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-(2,2-diphenylcyclopentyloxy)ethenyl este...","","C1CC(C(C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC=COC(=O)C4=CC=CC=C4","RTWJDVDJIDAXQA-VXPUYCOJSA-N","3005428",NA,"PDBC13106","699766","Present"
-"2-((2,4,7-Trichloro-9H-fluoren-9-yl)amino)ethanol","","","","","","","","","","","","","","","","","","","","2-((2,4,7-Trichloro-9H-fluoren-9-yl)amino)ethanol","","C1=CC2=C(C=C1Cl)C(C3=C2C(=CC(=C3)Cl)Cl)NCCO","DUJIUZARXIXFNP-UHFFFAOYSA-N","283705",NA,"PDBC13107","138756","Present"
-"2-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N-(4-methylphenyl)-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(2,4-Dinitrophenyl)hydrazinylidene]-N-(4-methylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide","","CC1=CC=C(C=C1)NC(=O)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3C(=O)NC(=O)NC3=O","VSJZNBQOTJKDQU-IWIPYMOSSA-N","9555874",NA,"PDBC13108","645888","Present"
-"2-((2,7-Dihydroxy-9-acridinyl)thio)acetamide","","","","","","","","","","","","","","","","","","","","2-((2,7-Dihydroxy-9-acridinyl)thio)acetamide","","C1=CC2=C(C=C1O)C(=C3C=C(C=CC3=N2)O)SCC(=O)N","QOYBWWRICBLLBD-UHFFFAOYSA-N","378724",NA,"PDBC13109","661826","Present"
-"2-((2,7-Dimethoxy-9-acridinyl)sulfinyl)-N,N-diethylethanamine","","","","","","","","","","","","","","","","","","","","2-((2,7-Dimethoxy-9-acridinyl)sulfinyl)-N,N-diethylethanamine","","CCN(CC)CCS(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC","CXSKHDXAIRKSGV-UHFFFAOYSA-N","395392",NA,"PDBC13110","699928","Present"
-"2-((2-((6-((2-Carboxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)amino)-2-oxoethyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((2-((6-((2-Carboxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)amino)-2-oxoethyl)amino)benzoic acid","","C1=CC=C(C(=C1)C(=O)O)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O","PBXQKCPZPWVTBM-UHFFFAOYSA-N","390410",NA,"PDBC13111","687764","Present"
-"2-((2-((Aminocarbonyl)hydrazono)-3-cyano-5,5-dimethyl-6-oxohexanoyl)amino)benzamide","","","","","","","","","","","","","","","","","","","","2-((2-((Aminocarbonyl)hydrazono)-3-cyano-5,5-dimethyl-6-oxohexanoyl)amino)benzamide","","CC(C)(CC(C#N)C(=NNC(=O)N)C(=O)NC1=CC=CC=C1C(=O)N)C=O","NWKZEEJLGRXQMK-LPYMAVHISA-N","5918854",NA,"PDBC13112","641426","Present"
-"2-((2-((Methylsulfonyl)oxy)ethyl)-4-(((2-oxo-2H-chromen-6-yl)imino)methyl)anilino)ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","Coumarin, 6-[[p-[bis(hydroxyethyl)amino]benzylidene]amin...","","CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC3=C(C=C2)OC(=O)C=C3","IQUYRTCVGLAKOT-UHFFFAOYSA-N","251586",NA,"PDBC13113","72151","Present"
-"2-((2-(4-Chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide","","","","","","","","","","","","","","","","","","","","2-((2-(4-Chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide","","CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=C(C=C4)Cl","ITFFANOKIFHFKI-UHFFFAOYSA-N","375241",NA,"PDBC13114","654630","Present"
-"2-((2-(Acetylamino)-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)methyl)-6-methoxyphenyl acetate","","","","","","","","","","","","","","","","","","","","2-((2-(Acetylamino)-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)methyl)-6-methoxyphenyl acetate","","CC(=O)NC1=NC(=O)C(N1C)CC2=C(C(=CC=C2)OC)OC(=O)C","CFGQXVNKVHFFIC-UHFFFAOYSA-N","376493",NA,"PDBC13115","657438","Present"
-"2-((2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)amino)-N-benzylbenzamide","","","","","","","","","","","","","","","","","","","","2-((2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)amino)-N-benzylbenzamide","","C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)C(=CC3=CC=CC=C3O)NC(=O)C4=CC=CC=C4","GHMZCKVFIHXXMB-XHPQRKPJSA-N","6477537",NA,"PDBC13116","686410","Present"
-"2-((2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)amino)-N-(2-(4-(dimethylamino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","2-[[(Z)-2-Benzamido-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]benzamide","","CN(C)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)NN3C(SCC3=O)C4=CC=C(C=C4)N(C)C)NC(=O)C5=CC=CC=C5","AGWMFLANVAYZNX-VAMRJTSQSA-N","5923490",NA,"PDBC13117","690948","Present"
-"2-((2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)amino)-N-benzylbenzamide","","","","","","","","","","","","","","","","","","","","2-((2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)amino)-N-benzylbenzamide","","CN(C)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4","LIGIWABQBAKFAW-ANYBSYGZSA-N","5917744",NA,"PDBC13118","686417","Present"
-"2-((2-(Benzoylamino)-3-phenylacryloyl)amino)-N-benzylbenzamide","","","","","","","","","","","","","","","","","","","","2-((2-(Benzoylamino)-3-phenylacryloyl)amino)-N-benzylbenzamide","","C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)C(=CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4","SIAIPSHCCIMTST-OOAXWGSJSA-N","6477539",NA,"PDBC13119","686412","Present"
-"2-((2-(Benzoylamino)-3-phenylacryloyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((2-(Benzoylamino)-3-phenylacryloyl)amino)benzoic acid","","C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)C3=CC=CC=C3","KZHJCQDMLQBCSB-HKWRFOASSA-N","6477564",NA,"PDBC13120","690946","Present"
-"2-((2-(Cinnamoyloxy)-4-(diethylamino)phenyl)diazenyl)-5-(hydroxy(oxido)amino)phenyl 3-phenylacrylate","","","","","","","","","","","","","","","","","","","","2-((2-(Cinnamoyloxy)-4-(diethylamino)phenyl)diazenyl)-5-(hydroxy(oxido)amino)phenyl 3-phenylacrylate","","CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC(=O)C=CC3=CC=CC=C3)OC(=O)C=CC4=CC=CC=C4","VFEIUJLBRFAALJ-SSYMMPMXSA-N","5812861",NA,"PDBC13121","648071","Present"
-"2-((2-(Dimethylamino)ethyl)(methyl)amino)-1-((stearoyloxy)methyl)ethyl stearate","","","","","","","","","","","","","","","","","","","","2-((2-(Dimethylamino)ethyl)(methyl)amino)-1-((stearoyloxy)methyl)ethyl stearate","","CCCCCCCCCCCCCCCCCC(=O)OCC(CN(C)CCN(C)C)OC(=O)CCCCCCCCCCCCCCCCC","IJGPYLYDDWVZNY-UHFFFAOYSA-N","361955",NA,"PDBC13122","625438","Present"
-"2-((2-(Hydroxy(oxido)amino)benzyl)thio)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-(2-nitrobenzylthio)-3H-purin-6(7H)-one///NSC211340","","C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2)NC=N3)[N+](=O)[O-]","NJLOUSIFCRNUHD-UHFFFAOYSA-N","135451593",NA,"PDBC13123","118207///211340","Present"
-"2-((2-Amino-1-cyano-2-oxoethyl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((2-Amino-1-cyano-2-oxoethyl)diazenyl)benzoic acid","","C1=CC=C(C(=C1)C(=O)O)N=NC(C#N)C(=O)N","UNDKEVCLMKXDGZ-UHFFFAOYSA-N","231736",NA,"PDBC13124","28427","Present"
-"2-((2-Anilino-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","2-((2-Anilino-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazinecarboxamide","","CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)NNC(=O)N","YJUMDISUEASESU-UHFFFAOYSA-N","367669",NA,"PDBC13125","637598","Present"
-"2-((2-Benzyl-3-((4-(hydroxy(oxido)amino)phenyl)thio)propanoyl)amino)-4-methyl-N-phenylpentanamide","","","","","","","","","","","","","","","","","","","","2-((2-Benzyl-3-((4-(hydroxy(oxido)amino)phenyl)thio)propanoyl)amino)-4-methyl-N-phenylpentanamide","","CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)[N+](=O)[O-]","GOCMQBVTHPTLRD-UHFFFAOYSA-N","390248",NA,"PDBC13126","687540","Present"
-"2-((2-Benzyl-3-(4-(hydroxy(oxido)amino)phenoxy)propanoyl)amino)-4-methyl-N-phenylpentanamide","","","","","","","","","","","","","","","","","","","","2-((2-Benzyl-3-(4-(hydroxy(oxido)amino)phenoxy)propanoyl)amino)-4-methyl-N-phenylpentanamide","","CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]","UVQXHBQLIZCPJS-UHFFFAOYSA-N","390249",NA,"PDBC13127","687541","Present"
-"2-((2-Benzyl-3-iodo-2-methylpropanoyl)amino)-4-methyl-N-phenylpentanamide","","","","","","","","","","","","","","","","","","","","2-((2-Benzyl-3-iodo-2-methylpropanoyl)amino)-4-methyl-N-phenylpentanamide","","CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(C)(CC2=CC=CC=C2)CI","XIPJWXBPVPSNSU-UHFFFAOYSA-N","390250",NA,"PDBC13128","687542","Present"
-"2-((2-Benzyl-3-iodopropanoyl)amino)-4-methyl-N-phenylpentanamide","","","","","","","","","","","","","","","","","","","","2-((2-Benzyl-3-iodopropanoyl)amino)-4-methyl-N-phenylpentanamide","","CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CI","JVSAMVNCXRHSFH-UHFFFAOYSA-N","390247",NA,"PDBC13129","687539","Present"
-"2-((2-Benzyl-4-iodobutanoyl)amino)-4-methyl-N-phenylpentanamide","","","","","","","","","","","","","","","","","","","","2-((2-Benzyl-4-iodobutanoyl)amino)-4-methyl-N-phenylpentanamide","","CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CCI)CC2=CC=CC=C2","YOXNXDPLKDMGEC-UHFFFAOYSA-N","390246",NA,"PDBC13130","687538","Present"
-"2-((2-Chloro-1,3-benzodioxol-5-yl)methylene)malononitrile","","","","","","","","","","","","","","","","","","","","2-((2-Chloro-1,3-benzodioxol-5-yl)methylene)malononitrile","","C1=CC2=C(C=C1C=C(C#N)C#N)OC(O2)Cl","HECLSTDDTVREDK-UHFFFAOYSA-N","379429",NA,"PDBC13131","663974","Present"
-"2-((2-Hydroxy-1-naphthyl)diazenyl)anthra-9,10-quinone","","","","","","","","","","","","","","","","","","","","2-((2-Hydroxy-1-naphthyl)diazenyl)anthra-9,10-quinone","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)O","KESOSAWCVMRUDN-UHFFFAOYSA-N","413160",NA,"PDBC13132","45211","Present"
-"2-((2-Hydroxy-5-isopropyl-3-oxo-1,4,6-cycloheptatrien-1-yl)(4-methoxyphenyl)methyl)-3-methylnaphthoquinone","","","","","","","","","","","","","","","","","","","","2-[(2-Hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-3-methylnaphthalene-1,4-dione","","CC1=C(C(=O)C2=CC=CC=C2C1=O)C(C3=CC=C(C=C3)OC)C4=C(C(=O)C=C(C=C4)C(C)C)O","VCPFNERIPDUIQD-UHFFFAOYSA-N","361383",NA,"PDBC13133","624407","Present"
-"2-((2-Hydroxyethyl)(methyl)amino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","2-((2-Hydroxyethyl)(methyl)amino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol","","CN(CCO)C1=NC2=C(CNCC2)C(=O)N1","OHAUYDWFERNNCH-UHFFFAOYSA-N","135408993",NA,"PDBC13134","652576","Present"
-"2-((2-Hydroxyethyl)(methyl)amino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","2-((2-Hydroxyethyl)(methyl)amino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol","","CN(CCO)C1=NC2=C(CCC2)C(=O)N1","RHDUMHPXCHVBGF-UHFFFAOYSA-N","135408992",NA,"PDBC13135","652575","Present"
-"2-((2-Hydroxyethyl)amino)-N,N-dimethyl-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-((2-Hydroxyethyl)amino)-N,N-dimethyl-2-phenylacetamide","","CN(C)C(=O)C(C1=CC=CC=C1)NCCO","YMYYEXATVAZWJY-UHFFFAOYSA-N","344142",NA,"PDBC13136","400883","Present"
-"2-((2-Methoxyethoxy)methoxy)-1-propene","","","","","","","","","","","","","","","","","","","","2-(2'-Methoxyethoxy methyl)oxy prop-2-ene","","CC(=C)OCOCCOC","BEJVAKJWTGFTIW-UHFFFAOYSA-N","376762",NA,"PDBC13137","657818","Present"
-"2-((2-Methoxyphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione","","","","","","","","","","","","","","","","","","","","2-((2-Methoxyphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione","","COC1=CC=CC=C1N=NC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","LLSICZJZRXBVNC-UHFFFAOYSA-N","369128",NA,"PDBC13138","640676","Present"
-"2-((2-Methyl-2-propenyl)oxy)tetrahydro-2H-pyran","","","","","","","","","","","","","","","","","","","","1-(Tetrahydro-2H-pyran-2yl)oxy-2-methyl prop-2-ene","","CC(=C)COC1CCCCO1","WEINLSIXIYLFET-UHFFFAOYSA-N","376761",NA,"PDBC13139","657817","Present"
-"2-((2-Methylphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione","","","","","","","","","","","","","","","","","","","","2-((2-Methylphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione","","CC1=CC=CC=C1N=NC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","URUHRRSCTBUPDX-UHFFFAOYSA-N","369123",NA,"PDBC13140","640671","Present"
-"2-((2-Nitrophenyl)thio)benzoic acid","","","","","","","","","","","","","","","","","","","","Z31239048","","C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC=C2[N+](=O)[O-]","SUOKPGGNWNCXQT-UHFFFAOYSA-N","376978",NA,"PDBC13141","658183","Present"
-"2-((2-Phenylethyl)thio)ethanamine","","","","","","","","","","","","","","","","","","","","2-((2-Phenylethyl)thio)ethanamine","","C1=CC=C(C=C1)CCSCCN","XTJWHAGJSCTAFW-UHFFFAOYSA-N","305435",NA,"PDBC13142","202409","Present"
-"2-((2E)-2-{1-[(3-Hydroxy-6-nitroquinoxalin-2-yl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethylidene}hydrazino)-N,N,N-trimethyl-2-oxoethanaminium chloride","","","","","","","","","","","","","","","","","","","","Trimethyl-[2-[(2E)-2-[1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]azanium;chloride","","C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-].[Cl-]","WFMXWXLMMGBUQR-UHFFFAOYSA-N","9574392",NA,"PDBC13143","649823","Present"
-"2-((2E)-2-{2-[(2-Tert-butyl-6-methylphenyl)amino]-1-[(3-hydroxy-6-nitroquinoxalin-2-yl)methyl]-2-oxoethylidene}hydrazino)-N,N,N-trimethyl-2-oxoethanaminium chloride","","","","","","","","","","","","","","","","","","","","[2-[(2E)-2-[1-(2-Tert-butyl-6-methylanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=NNC(=O)C[N+](C)(C)C)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O.[Cl-]","GNSRRECOCLLXLK-UHFFFAOYSA-N","9574390",NA,"PDBC13144","649586","Present"
-"2-((2E)-2-{5-[(2,5-Dimethoxyphenyl)amino]-1-[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-5-oxopentylidene}hydrazino)-N,N,N-trimethyl-2-oxoethanaminium chloride","","","","","","","","","","","","","","","","","","","","[2-[(2E)-2-[7-(2,5-Dimethoxyanilino)-1-(4-hydroxy-3-methoxyphenyl)-1,7-dioxoheptan-3-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","C[N+](C)(C)CC(=O)NN=C(CCCC(=O)NC1=C(C=CC(=C1)OC)OC)CC(=O)C2=CC(=C(C=C2)O)OC.[Cl-]","AJRKVOIVZZDZKY-ZHHZSZKJSA-N","9569986",NA,"PDBC13145","630313","Present"
-"2-((2E)-2-{[4,5-Bis(2-hydroxy-1-naphthyl)-3-nitro-2-furyl]methylene}hydrazino)-N,N,N-trimethyl-2-oxoethanaminium chloride","","","","","","","","","","","","","","","","","","","","[2-[(2E)-2-[[4,5-Bis(2-hydroxynaphthalen-1-yl)-3-nitrofuran-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","C[N+](C)(C)CC(=O)NN=CC1=C(C(=C(O1)C2=C(C=CC3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O)[N+](=O)[O-].[Cl-]","AOQCFIRXGLRMCE-UHFFFAOYSA-N","135483933",NA,"PDBC13146","647262","Present"
-"2-((3,4-Dichloro-1-methyl-1H-pyrazol-5-yl)sulfinyl)ethyl isopropylcarbamate","","","","","","","","","","","","","","","","","","","","2-((3,4-Dichloro-1-methyl-1H-pyrazol-5-yl)sulfinyl)ethyl isopropylcarbamate","","CC(C)NC(=O)OCCS(=O)C1=C(C(=NN1C)Cl)Cl","VFALHXWQOVJNQU-UHFFFAOYSA-N","355403",NA,"PDBC13147","608858","Present"
-"2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)-6-hydroxy-4-pyrimidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)-6-hydroxy-4-pyrimidinecarboxylic acid","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=NC(=CC(=O)N3)C(=O)O","BCRIVNNGVIEOOU-UHFFFAOYSA-N","135451595",NA,"PDBC13148","125252","Present"
-"2-((3,5-Di-tert-Butyl-4-hydroxyphenyl)-methylene)-4-cyclopentene-1,3-dione","","","","","","","","","","","","","","","","","","","","Cyclopent-4-ene-1,3-dione, 2-[[4-hydroxy-3,5-bis(1,1-dim...","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)C=CC2=O","VUEUMQIBGLKJJD-UHFFFAOYSA-N","403661",NA,"PDBC13149","718729","Present"
-"2-((3,5-Dimethyl-1-(3-oxo-3-(4-toluidino)propanoyl)-1H-pyrazol-4-yl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((3,5-Dimethyl-1-(3-oxo-3-(4-toluidino)propanoyl)-1H-pyrazol-4-yl)diazenyl)benzoic acid","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O)C","UDKJZSBCHUOBAD-UHFFFAOYSA-N","369703",NA,"PDBC13150","641750","Present"
-"2-((3-(((5-((2,4-Bis(phosphonomethyl)anilino)carbonyl)-2-methylanilino)carbonyl)amino)-4-methylbenzoyl)amino)-5-(phosphonomethyl)benzylphosphonic acid","","","","","","","","","","","","","","","","","","","","[2-[[3-[[5-[[2,4-Bis(phosphonomethyl)phenyl]carbamoyl]-2-methylphenyl]carbamoylamino]-4-methylbenzoyl]amino]-5-(phosphonomethyl)phenyl]methylphosphonic acid","","CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)O)CP(=O)(O)O)NC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)CP(=O)(O)O)CP(=O)(O)O)C","NYOUWBIORCTLNY-UHFFFAOYSA-N","388396",NA,"PDBC13151","683280","Present"
-"2-((3-((3-Aminobenzoyl)amino)-4-methylbenzoyl)amino)-5-(phosphonomethyl)benzylphosphonic acid","","","","","","","","","","","","","","","","","","","","2-((3-((3-Aminobenzoyl)amino)-4-methylbenzoyl)amino)-5-(phosphonomethyl)benzylphosphonic acid","","CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)O)CP(=O)(O)O)NC(=O)C3=CC(=CC=C3)N","WMAYLMUZFCUDDH-UHFFFAOYSA-N","388397",NA,"PDBC13152","683281","Present"
-"2-((3-(3-Hydroxy-2-quinoxalinyl)-2-oxopropanoyl)amino)benzamide","","","","","","","","","","","","","","","","","","","","2-((3-(3-Hydroxy-2-quinoxalinyl)-2-oxopropanoyl)amino)benzamide","","C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=O)CC2=NC3=CC=CC=C3NC2=O","RNHSYZXBGWOANI-UHFFFAOYSA-N","371860",NA,"PDBC13153","646380","Present"
-"2-((3-(3-Methoxyphenyl)-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol","","","","","","","","","","","","","","","","","","","","2-((3-(3-Methoxyphenyl)-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol","","COC1=CC=CC(=C1)C2=NN(C(=N2)C3=NC=CN=C3)COCCO","BTVZCDNKLLVBOJ-UHFFFAOYSA-N","375973",NA,"PDBC13154","656339","Present"
-"2-((3-(4-Methoxyphenyl)-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol","","","","","","","","","","","","","","","","","","","","2-((3-(4-Methoxyphenyl)-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol","","COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)COCCO","XZCNBTHYEKRGTP-UHFFFAOYSA-N","375972",NA,"PDBC13155","656338","Present"
-"2-((3-(Hydroxy(oxido)amino)phenyl)sulfonyl)-N-methylhydrazinesulfonamide","","","","","","","","","","","","","","","","","","","","2-((3-(Hydroxy(oxido)amino)phenyl)sulfonyl)-N-methylhydrazinesulfonamide","","CNS(=O)(=O)NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]","UHHZTHNHQGGOQT-UHFFFAOYSA-N","367383",NA,"PDBC13156","637072","Present"
-"2-((3-Amino-4-methylbenzoyl)amino)-5-(phosphonomethyl)benzylphosphonic acid","","","","","","","","","","","","","","","","","","","","2-((3-Amino-4-methylbenzoyl)amino)-5-(phosphonomethyl)benzylphosphonic acid","","CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)O)CP(=O)(O)O)N","OFKYAKASINNOHF-UHFFFAOYSA-N","388395",NA,"PDBC13157","683279","Present"
-"2-((3-Aminopropyl)amino)ethanethiol","","","","","","","","","","","","","","","","","","","","WR 1065","","C(CN)CNCCS","YHPLKWQJMAYFCN-UHFFFAOYSA-N","104807",NA,"PDBC13158","647527","Present"
-"2-((3-Benzoyl-2-oxo-2H-chromen-7-yl)oxy)propanoic acid","","","","","","","","","","","","","","","","","","","","2-((3-Benzoyl-2-oxo-2H-chromen-7-yl)oxy)propanoic acid","","CC(C(=O)O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=CC=C3","JSOGZGCJVIPYCF-UHFFFAOYSA-N","363673",NA,"PDBC13159","628746","Present"
-"2-((3-Carboxypropanoyl)(methyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","CBKinase1_000250","","CN(C1=CC=CC=C1C(=O)O)C(=O)CCC(=O)O","IAVFCZYWCISZSF-UHFFFAOYSA-N","389686",NA,"PDBC13160","686141","Present"
-"2-((3-Chlorophenyl)hydrazono)-N-(2,6-dichloro-4-(hydroxy(oxido)amino)phenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(3-Chlorophenyl)hydrazinylidene]-N-(2,6-dichloro-4-nitrophenyl)-2-(4-hydroxy-2-oxochromen-3-yl)acetamide","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=NNC3=CC(=CC=C3)Cl)C(=O)NC4=C(C=C(C=C4Cl)[N+](=O)[O-])Cl)O","IVPVQHCZUAATCO-BRPDVVIDSA-N","135499255",NA,"PDBC13161","647100","Present"
-"2-((3-Chloropropyl)thio)cyclododecanol","","","","","","","","","","","","","","","","","","","","2-((3-Chloropropyl)thio)cyclododecanol","","C1CCCCCC(C(CCCC1)O)SCCCCl","MPLQAZSCVSCAGR-UHFFFAOYSA-N","380703",NA,"PDBC13162","666409","Present"
-"2-((3-Hydroxy-2-naphthoyl)hydrazono)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((3-Hydroxy-2-naphthoyl)hydrazono)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)acetamide","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C(=O)N","KMXALHWMNYJUND-BWAHOGKJSA-N","9570015",NA,"PDBC13163","632012","Present"
-"2-((3-Methyl-1,2,3,4-tetrahydro-2-quinoxalinyl)methylene)malononitrile","","","","","","","","","","","","","","","","","","","","2-((3-Methyl-1,2,3,4-tetrahydro-2-quinoxalinyl)methylene)malononitrile","","CC1C(NC2=CC=CC=C2N1)C=C(C#N)C#N","QCGCVKUZGQLQCR-UHFFFAOYSA-N","365590",NA,"PDBC13164","633391","Present"
-"2-((3-Nitrobenzyl)thio)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-(3-nitrobenzylthio)-3H-purin-6(7H)-one","","C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC3=C(C(=O)N2)NC=N3","DIKVHTCRLXZEJN-UHFFFAOYSA-N","135451594",NA,"PDBC13165","118208","Present"
-"2-((3-Phenyl-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol","","","","","","","","","","","","","","","","","","","","2-((3-Phenyl-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol","","C1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)COCCO","NLVPWMWFABYVAA-UHFFFAOYSA-N","375971",NA,"PDBC13166","656337","Present"
-"2-((3-Pyridinylmethyl)thio)-3-(2-thienyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-((3-Pyridinylmethyl)thio)-3-(2-thienyl)quinoxaline","","C1=CC=C2C(=C1)N=C(C(=N2)SCC3=CN=CC=C3)C4=CC=CS4","GHSYUXKAUPPTSS-UHFFFAOYSA-N","374666",NA,"PDBC13167","652766","Present"
-"2-((3-Quinolinylmethyl)sulfinyl)-3-(2-thienyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(quinolin-3-ylmethylsulfinyl)-3-(thiophen-2-yl)quinoxa...","","C1=CC=C2C(=C1)C=C(C=N2)CS(=O)C3=NC4=CC=CC=C4N=C3C5=CC=CS5","GCUSBHRMPQHXPM-UHFFFAOYSA-N","374670",NA,"PDBC13168","652770","Present"
-"2-((4,4-Dimethyl-1-(4-methylphenyl)-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-((4,4-Dimethyl-1-(4-methylphenyl)-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid","","CC1=CC=C(C=C1)C(CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)O","LGXLALWCPHRYSF-UHFFFAOYSA-N","377753",NA,"PDBC13169","659344","Present"
-"2-((4,4-Dimethyl-2,6-dioxocyclohexyl)methyl)-1H-indene-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-((4,4-Dimethyl-2,6-dioxocyclohexyl)methyl)-1H-indene-1,3(2H)-dione","","CC1(CC(=O)C(C(=O)C1)CC2C(=O)C3=CC=CC=C3C2=O)C","MYIHHCUWXKCHDY-UHFFFAOYSA-N","372142",NA,"PDBC13170","647096","Present"
-"2-((4,4-Dimethyl-3-oxo-1-phenyl-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-((4,4-Dimethyl-3-oxo-1-phenyl-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid","","CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=CC=C2)SCCS(=O)(=O)O","YCBDINIVTFNIDF-UHFFFAOYSA-N","377752",NA,"PDBC13171","659343","Present"
-"2-((4,5-Diphenyl-1,3-oxazol-2-yl)thio)ethanamine","","","","","","","","","","","","","","","","","","","","2-((4,5-Diphenyl-1,3-oxazol-2-yl)thio)ethanamine","","C1=CC=C(C=C1)C2=C(OC(=N2)SCCN)C3=CC=CC=C3","DNITTWSXYHDGKU-UHFFFAOYSA-N","324144",NA,"PDBC13172","288391","Present"
-"2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide","","","","","","","","","","","","","","","","","","","","2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide","","CC(C)C(C(=O)NN)SC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3","IWTVSCLZMFXYHC-UHFFFAOYSA-N","373850",NA,"PDBC13173","650813","Present"
-"2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-(hydroxy(oxido)amino)benzylidene)-3-methylbutanohydrazide","","","","","","","","","","","","","","","","","","","","2-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanyl]-3-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]butanamide","","CC(C)C(C(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","GOFSCAUHNXGMPD-OGLMXYFKSA-N","9555906",NA,"PDBC13174","650814","Present"
-"2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-(hydroxy(oxido)amino)benzylidene)acetohydrazide","","","","","","","","","","","","","","","","","","","","2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-(hydroxy(oxido)amino)benzylidene)acetohydrazide","","C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","MPOFVEKUUXMBJY-MFKUBSTISA-N","9555904",NA,"PDBC13175","650811","Present"
-"2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-hydroxybenzylidene)acetohydrazide","","","","","","","","","","","","","","","","","","","","2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-hydroxybenzylidene)acetohydrazide","","C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NN=CC3=CC=C(C=C3)O)C4=CC=CC=C4","FYAFZVOSXPDBJW-MFKUBSTISA-N","135499312",NA,"PDBC13176","650809","Present"
-"2-((4,7-Dimethyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((4,7-Dimethyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid","","CC1=C2CC(C(=O)C2=C(C=C1)C)CC3=CC=CC=C3C(=O)O","WXWMYJQXTKDZLM-UHFFFAOYSA-N","386194",NA,"PDBC13177","677816","Present"
-"2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-sulfobutanoic acid","","","","","","","","","","","","","","","","","","","","N-(4-Amino-4-deoxy-N10-methypteroyl)-D,L-homocysteic acid","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCS(=O)(=O)O)C(=O)O","AZBMALLCUFVCHQ-UHFFFAOYSA-N","393791",NA,"PDBC13178","696558","Present"
-"2-((4-((4-((4,6-Dimethoxy-1,3,5-triazin-2-yl)thio)phenyl)thio)phenyl)thio)-4,6-dimethoxy-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2-((4-((4-((4,6-Dimethoxy-1,3,5-triazin-2-yl)thio)phenyl)thio)phenyl)thio)-4,6-dimethoxy-1,3,5-triazine","","COC1=NC(=NC(=N1)SC2=CC=C(C=C2)SC3=CC=C(C=C3)SC4=NC(=NC(=N4)OC)OC)OC","BEBPZDCNGGPLQY-UHFFFAOYSA-N","375847",NA,"PDBC13179","656100","Present"
-"2-((4-((4-Chlorophenyl)diazenyl)-3-methoxyanilino)methyl)malononitrile","","","","","","","","","","","","","","","","","","","","2-((4-((4-Chlorophenyl)diazenyl)-3-methoxyanilino)methyl)malononitrile","","COC1=C(C=CC(=C1)NCC(C#N)C#N)N=NC2=CC=C(C=C2)Cl","RHCCMWMRCRPEBD-UHFFFAOYSA-N","367994",NA,"PDBC13180","638219","Present"
-"2-((4-(1-Benzothien-2-yl)-2-pyrimidinyl)thio)-N,N-dimethylethanamine","","","","","","","","","","","","","","","","","","","","2-((4-(1-Benzothien-2-yl)-2-pyrimidinyl)thio)-N,N-dimethylethanamine","","CN(C)CCSC1=NC=CC(=N1)C2=CC3=CC=CC=C3S2","BKVNIDQDQPBBDU-UHFFFAOYSA-N","358884",NA,"PDBC13181","619013","Present"
-"2-((4-(2,2,2-Trifluoro-1-hydroxyethyl)anilino)methyl)-1,4-benzenediol","","","","","","","","","","","","","","","","","","","","Benzenemethanol, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-...","","C1=CC(=CC=C1C(C(F)(F)F)O)NCC2=C(C=CC(=C2)O)O","YPAWXJGXRNYNDI-UHFFFAOYSA-N","390890",NA,"PDBC13182","689001","Present"
-"2-((4-(2-((2,2-Dicyanovinyl)amino)ethyl)-1-piperazinyl)methylene)malononitrile","","","","","","","","","","","","","","","","","","","","Propanedinitrile, [[4-[2-[(2,2-dicyanoethenyl)amino]ethy...","","C1CN(CCN1CCNC=C(C#N)C#N)C=C(C#N)C#N","ZKPDRENHARTYFL-UHFFFAOYSA-N","335063",NA,"PDBC13183","343040","Present"
-"2-((4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanoyl)amino)benzamide","","","","","","","","","","","","","","","","","","","","2-((4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanoyl)amino)benzamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5C(=O)N","HQNHPBCBHFGHNN-UHFFFAOYSA-N","369482",NA,"PDBC13184","641252","Present"
-"2-((4-(3,4-Dimethoxyphenyl)-6-imino-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(3,4-dimethoxy...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C4O","KOAOKQRQOBUGNE-UHFFFAOYSA-N","376877",NA,"PDBC13185","657997","Present"
-"2-((4-(4-Chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)propanoic acid","","","","","","","","","","","","","","","","","","","","2-((4-(4-Chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)propanoic acid","","CC(C(=O)O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)Cl","ZTSMKGAUNRZWKZ-UHFFFAOYSA-N","363672",NA,"PDBC13186","628745","Present"
-"2-((4-(5-(2-Furyl)-1-(4-(hydroxy(oxido)amino)phenyl)-4,5-dihydro-1H-pyrazol-3-yl)anilino)methyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","N-(1H-Benzimidazol-2-ylmethyl)-4-[3-(furan-2-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]aniline","","C1C(N(N=C1C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CO6","RROAABDFHLYJJV-UHFFFAOYSA-N","374046",NA,"PDBC13187","651242","Present"
-"2-((4-(5-(4-(Hydroxy(oxido)amino)phenyl)-4,5-dihydro-3-isoxazolyl)anilino)methyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2-((4-(5-(4-(Hydroxy(oxido)amino)phenyl)-4,5-dihydro-3-isoxazolyl)anilino)methyl)-1H-benzimidazole","","C1C(ON=C1C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)[N+](=O)[O-]","ZLRDWSSRHRPHAJ-UHFFFAOYSA-N","374045",NA,"PDBC13188","651241","Present"
-"2-((4-(Hydroxy(oxido)amino)phenyl)hydrazono)-N-methyl-N'-phenylpropanohydrazide","","","","","","","","","","","","","","","","","","","","2-((4-(Hydroxy(oxido)amino)phenyl)hydrazono)-N-methyl-N'-phenylpropanohydrazide","","CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N(C)NC2=CC=CC=C2","SHYDLYJPKGQUNY-SFQUDFHCSA-N","5910426",NA,"PDBC13189","655055","Present"
-"2-((4-Amino-2-methylphenyl)diazenyl)-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","m-Toluenesulfonamide, 6-[(4-amino-o-tolyl)azo]-","","CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N)C)S(=O)(=O)N","UFCBDPKSFCONKF-UHFFFAOYSA-N","239838",NA,"PDBC13190","45527","Present"
-"2-((4-Amino-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy)ethanol","","","","","","","","","","","","","","","","","","","","2-((4-Amino-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy)ethanol","","CC1=C(N(C2=NC=NC(=C12)N)COCCO)C","FZFBXJAPMOVMEH-UHFFFAOYSA-N","374131",NA,"PDBC13191","651558","Present"
-"2-((4-Amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-(4-bromophenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-((4-Amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-(4-bromophenyl)ethanone","","COC1=C(C=C(C=C1)C2=C3C(=NC(=NC3=NC4=C2CCCC4)SCC(=O)C5=CC=C(C=C5)Br)N)OC","LWYQYRVISUFGBQ-UHFFFAOYSA-N","381065",NA,"PDBC13192","667084","Present"
-"2-((4-Amino-5-carboxy-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-3-hydroxybenzoic acid","","","","","","","","","","","","","","","","","","","","2-((4-Amino-5-carboxy-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-3-hydroxybenzoic acid","","C1=CC(=O)C(=NC2=CC(=C(C(=C2O)C(=O)O)N)O)C(=C1)C(=O)O","GEZBGWSDMOVDPC-UHFFFAOYSA-N","135429956",NA,"PDBC13193","625326","Present"
-"2-((4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-phenylethanone","","","","","","","","","","","","","","","","","","","","2-((4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-phenylethanone","","C1CCC2=C(C1)C(=C3C(=NC(=NC3=N2)SCC(=O)C4=CC=CC=C4)N)C5=CC=CC=C5","JGTDUIXKILVFMV-UHFFFAOYSA-N","381060",NA,"PDBC13194","667079","Present"
-"2-((4-Aminophenyl)diazenyl)-1,3-naphthalenedisulfonic acid","","","","","","","","","","","","","","","","","","","","2-((4-Aminophenyl)diazenyl)-1,3-naphthalenedisulfonic acid","","C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)N=NC3=CC=C(C=C3)N)S(=O)(=O)O","XPTYWVPRQGSINY-UHFFFAOYSA-N","224977",NA,"PDBC13195","13975","Present"
-"2-((4-Anilinophenyl)imino)-1-benzofuran-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-((4-Anilinophenyl)imino)-1-benzofuran-3(2H)-one","","C1=CC=C(C=C1)NC2=CC=C(C=C2)N=C3C(=O)C4=CC=CC=C4O3","JMPCSRMBGXOUMT-UHFFFAOYSA-N","380757",NA,"PDBC13196","666464","Present"
-"2-((4-Bromophenyl)diazenyl)quinoline","","","","","","","","","","","","","","","","","","","","(4-bromophenyl)-(2-quinolyl)diazene","","C1=CC=C2C(=C1)C=CC(=N2)N=NC3=CC=C(C=C3)Br","JHSZMQCXWKUICJ-UHFFFAOYSA-N","387104",NA,"PDBC13197","680495","Present"
-"2-((4-Chlorobenzyl)amino)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-((4-Chlorobenzyl)amino)-9H-purin-6-ol","","C1=CC(=CC=C1CNC2=NC3=C(C(=O)N2)NC=N3)Cl","CYIICQJYPMRJFT-UHFFFAOYSA-N","135478598",NA,"PDBC13198","682523","Present"
-"2-((4-Chlorophenyl)methylene)-N-(2-((2-hydroxyethyl)amino)ethyl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","2-((4-Chlorophenyl)methylene)-N-(2-((2-hydroxyethyl)amino)ethyl)hydrazinecarboxamide","","C1=CC(=CC=C1C=NNC(=O)NCCNCCO)Cl","QUKXQDGKCXONGH-CXUHLZMHSA-N","9554132",NA,"PDBC13199","666462","Present"
-"2-((4-Ethyl-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)amino)ethanol","","","","","","","","","","","","","","","","","","","","2-((4-Ethyl-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)amino)ethanol","","CCN1C2=CC=CC=C2S(=O)(=O)NC1=NCCO","VSHPSFFNUPOGJQ-UHFFFAOYSA-N","135429907",NA,"PDBC13200","373861","Present"
-"2-((4-Fluorophenoxy)methylene)quinuclidin-3-one","","","","","","","","","","","","","","","","","","","","2-((4-Fluorophenoxy)methylene)quinuclidin-3-one","","C1CN2CCC1C(=O)C2=COC3=CC=C(C=C3)F","ZVYIHCRICITZFO-UKTHLTGXSA-N","3004964",NA,"PDBC13201","665684","Present"
-"2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-3-methylbutanoic acid","","","","","","","","","","","","","","","","","","","","2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-3-methylbutanoic acid","","CC(C)C(C(=O)O)OC1=C2C(=C(C=C1)OC)CCCC2=O","WPSIHEUPDMIEEF-UHFFFAOYSA-N","361674",NA,"PDBC13202","624892","Present"
-"2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)butanoic acid","","","","","","","","","","","","","","","","","","","","2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)butanoic acid","","CCC(C(=O)O)OC1=C2C(=C(C=C1)OC)CCCC2=O","BHFITVWINNJZBK-UHFFFAOYSA-N","361602",NA,"PDBC13203","624787","Present"
-"2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)propanoic acid","","","","","","","","","","","","","","","","","","","","2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)propanoic acid","","CC(C(=O)O)OC1=C2C(=C(C=C1)OC)CCCC2=O","LKNCTAJZEKSILD-UHFFFAOYSA-N","361605",NA,"PDBC13204","624790","Present"
-"2-((4-Methoxybenzyl)thio)-3-(2-thienyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-((4-Methoxybenzyl)thio)-3-(2-thienyl)quinoxaline","","COC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N=C2C4=CC=CS4","DTCCLDXTFMAPPW-UHFFFAOYSA-N","374669",NA,"PDBC13205","652769","Present"
-"2-((4-Methoxyphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione","","","","","","","","","","","","","","","","","","","","2-((4-Methoxyphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione","","COC1=CC=C(C=C1)N=NC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","WVAAOZMKRUBFAQ-UHFFFAOYSA-N","369129",NA,"PDBC13206","640677","Present"
-"2-((4-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((4-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid","","CC1=C2CC(C(=O)C2=CC=C1)CC3=CC=CC=C3C(=O)O","WPBXLAQJVPMZAI-UHFFFAOYSA-N","385693",NA,"PDBC13207","677039","Present"
-"2-((4-Methyl-2-quinolinyl)thio)-1-phenylethanone","","","","","","","","","","","","","","","","","","","","STK973247","","CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC=CC=C3","BAELLMKYBZSECI-UHFFFAOYSA-N","264064",NA,"PDBC13208","98892","Present"
-"2-((4-Methyl-5H-azuleno[5,6-b]indol-11-yl)oxy)ethanol","","","","","","","","","","","","","","","","","","","","2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethanol","","CC1=C2C=CC=C2C(=CC3=C1NC4=CC=CC=C43)OCCO","ANCSJFLCELAGIP-UHFFFAOYSA-N","393358",NA,"PDBC13209","695154","Present"
-"2-((4-Methylphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione","","","","","","","","","","","","","","","","","","","","2-((4-Methylphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione","","CC1=CC=C(C=C1)N=NC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","GBVMRMUXLFFIFZ-UHFFFAOYSA-N","369122",NA,"PDBC13210","640670","Present"
-"2-((4-Methylphenyl)sulfinyl)thiophene","","","","","","","","","","","","","","","","","","","","2-(p-tolylsulfinyl)thiophene","","CC1=CC=C(C=C1)S(=O)C2=CC=CS2","UEYSPGXYOFYNGQ-UHFFFAOYSA-N","375378",NA,"PDBC13211","655048","Present"
-"2-((4-Methylphenyl)sulfonyl)-1-phenyl-1H-inden-1-ol","","","","","","","","","","","","","","","","","","","","2-((4-Methylphenyl)sulfonyl)-1-phenyl-1H-inden-1-ol","","CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3C2(C4=CC=CC=C4)O","FJUDGVXCCNQOGE-UHFFFAOYSA-N","383862",NA,"PDBC13212","672634","Present"
-"2-((4-Methylphenyl)sulfonyl)-4-oxo-1-phenyl-4-(1-pyrrolidinyl)-1-butanone","","","","","","","","","","","","","","","","","","","","2-((4-Methylphenyl)sulfonyl)-4-oxo-1-phenyl-4-(1-pyrrolidinyl)-1-butanone","","CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)N2CCCC2)C(=O)C3=CC=CC=C3","RSPMBLHHEOXXMK-UHFFFAOYSA-N","365696",NA,"PDBC13213","633550","Present"
-"2-((4-Methylphenyl)sulfonyl)-6-(trifluoromethyl)-1-(3-(trifluoromethyl)phenyl)-1H-inden-1-ol","","","","","","","","","","","","","","","","","","","","2-((4-Methylphenyl)sulfonyl)-6-(trifluoromethyl)-1-(3-(trifluoromethyl)phenyl)-1H-inden-1-ol","","CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C2(C4=CC(=CC=C4)C(F)(F)F)O)C=C(C=C3)C(F)(F)F","BWLJADQMOHIVTF-UHFFFAOYSA-N","383861",NA,"PDBC13214","672633","Present"
-"2-((4-Oxo-2-thioxo-1-imidazolidinyl)methylene)malonamide","","","","","","","","","","","","","","","","","","","","2-((4-Oxo-2-thioxo-1-imidazolidinyl)methylene)malonamide","","C1C(=O)NC(=S)N1C=C(C(=O)N)C(=O)N","SEDUPIQXYIUZDT-UHFFFAOYSA-N","3004545",NA,"PDBC13215","658320","Present"
-"2-((4-Pyridinylmethylene)amino)malononitrile","","","","","","","","","","","","","","","","","","","","2-((4-Pyridinylmethylene)amino)malononitrile","","C1=CN=CC=C1C=NC(C#N)C#N","CTKDKZAJKOSKDN-UHFFFAOYSA-N","388315",NA,"PDBC13216","683047","Present"
-"2-((4-Tert-butyl-1-(2,4-dichlorobenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate","","","","","","","","","","","","","","","","","","","","trans-2-((1-(2,4-dichlorophenyl-methyl)-4-tert.butylcycl...","","CC(C)(C)C1CCC(CC1)(CC2=C(C=C(C=C2)Cl)Cl)OCCN(C)C.C(=CC(=O)O)C(=O)O","IGOOXIYIMTXTPM-WLHGVMLRSA-N","5468430",NA,"PDBC13217","670228","Present"
-"2-((4-Tert-butyl-1-(4-fluorobenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate","","","","","","","","","","","","","","","","","","","","Ethanamine, 2-[1-[(4-fluorophenyl)methyl]-N,N-dimethyl- ...///trans-2((1-(4-fluorphenyl-methyl)-4-tert.butylcyclohexyl...","","CC(C)(C)C1CCC(CC1)(CC2=CC=C(C=C2)F)OCCN(C)C.C(=CC(=O)O)C(=O)O","VERKYIGIGBTEKR-WLHGVMLRSA-N","5351427",NA,"PDBC13218","670223///670226","Present"
-"2-((4-Tert-butyl-1-(4-methylbenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate","","","","","","","","","","","","","","","","","","","","cis-2((1-(4-methyl-phenyl)methyl)-4-tert.butylcyclohexyl...///Ethanamine, N,N-dimethyl-2-[4-(1,1-dimethylethyl)- 1-[(4...","","CC1=CC=C(C=C1)CC2(CCC(CC2)C(C)(C)C)OCCN(C)C.C(=CC(=O)O)C(=O)O","ZQRALAUDFDVDAR-WLHGVMLRSA-N","5351426",NA,"PDBC13219","670225///670229","Present"
-"2-((4-Tert-butyl-1-(cyclohexylmethyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate","","","","","","","","","","","","","","","","","","","","trans-2-((1-(cyclohexyl-methyl)-4-tert.butylcyclohexyl)o...","","CC(C)(C)C1CCC(CC1)(CC2CCCCC2)OCCN(C)C.C(=CC(=O)O)C(=O)O","AARXZXDDDNNOBK-WLHGVMLRSA-N","5468429",NA,"PDBC13220","670227","Present"
-"2-((5,5-Bis(phenylthio)pentyl)oxy)tetrahydro-2H-pyran","","","","","","","","","","","","","","","","","","","","2-((5,5-Bis(phenylthio)pentyl)oxy)tetrahydro-2H-pyran","","C1CCOC(C1)OCCCCC(SC2=CC=CC=C2)SC3=CC=CC=C3","KYCZWROYNPDWGW-UHFFFAOYSA-N","361790",NA,"PDBC13221","625062","Present"
-"2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-hydrazino-2-oxoethyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-[(4-Chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-hydrazinyl-2-oxoethyl)acetamide","","C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC(=O)NN)COC3=CC=C(C=C3)Cl","BAJKFDDNEKWABF-UHFFFAOYSA-N","395266",NA,"PDBC13222","699744","Present"
-"2-((5-((5-Oxo-1-phenyl-2-thioxo-4-imidazolidinylidene)methyl)-2-thienyl)thio)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((5-((5-Oxo-1-phenyl-2-thioxo-4-imidazolidinylidene)methyl)-2-thienyl)thio)benzoic acid","","C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)SC4=CC=CC=C4C(=O)O)NC2=S","FETMPINLOFOKOW-VBKFSLOCSA-N","5468926",NA,"PDBC13223","679239","Present"
-"2-((5-((5-Oxo-2-thioxo-4-imidazolidinylidene)methyl)-2-thienyl)thio)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((5-((5-Oxo-2-thioxo-4-imidazolidinylidene)methyl)-2-thienyl)thio)benzoic acid","","C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(S2)C=C3C(=O)NC(=S)N3","CBOZHPLUDRQNFD-YFHOEESVSA-N","5468925",NA,"PDBC13224","679238","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-[4-[(4-Chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide","","C1=CC(=CC=C1C=NC2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=C(C=C(C=C4)Cl)Cl)Cl","GLEJQBMIQGGWSL-UHFFFAOYSA-N","375304",NA,"PDBC13225","654821","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-(hydroxy(oxido)amino)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-[4-[(4-Chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide","","C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl)[N+](=O)[O-]","ZTVNQLTVZCGYCL-UHFFFAOYSA-N","375298",NA,"PDBC13226","654815","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-chlorophenyl)acetamide","","C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl)Cl","KYEXCNWIWSSHOM-UHFFFAOYSA-N","375305",NA,"PDBC13227","654822","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-methylphenyl)acetamide","","CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","UJHBITNKCOEEKS-UHFFFAOYSA-N","375299",NA,"PDBC13228","654816","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-(hydroxy(oxido)amino)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-[4-[(4-Chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide","","C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","OISXKWQJMQMZED-UHFFFAOYSA-N","375297",NA,"PDBC13229","654814","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamide","","C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","POBHCSOUSLJWRT-UHFFFAOYSA-N","375306",NA,"PDBC13230","654823","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methoxyphenyl)acetamide","","COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","MCICZHKKNSEILV-UHFFFAOYSA-N","375302",NA,"PDBC13231","654819","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methylphenyl)acetamide","","CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","XWYKTWBBCGWSHV-UHFFFAOYSA-N","375300",NA,"PDBC13232","654817","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-(hydroxy(oxido)amino)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-[4-[(4-Chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide","","C1=CC(=CC=C1C=NC2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])Cl","FOPAIUJXTZLYQE-UHFFFAOYSA-N","375296",NA,"PDBC13233","654813","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-chlorophenyl)acetamide","","C1=CC(=CC=C1C=NC2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=CC=C(C=C4)Cl)Cl","HMJUUOVNRAVGON-UHFFFAOYSA-N","375307",NA,"PDBC13234","654824","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide","","COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","NAVXKXFXBWVMPF-UHFFFAOYSA-N","375303",NA,"PDBC13235","654820","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methylphenyl)acetamide","","CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","VTZXGNBSGLBWMT-UHFFFAOYSA-N","375301",NA,"PDBC13236","654818","Present"
-"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide","","C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","OTJMMQITYHDSEI-UHFFFAOYSA-N","375295",NA,"PDBC13237","654812","Present"
-"2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl","KPWYJMJRAGPBMU-UHFFFAOYSA-N","375276",NA,"PDBC13238","654793","Present"
-"2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methylphenyl)acetamide","","CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C","OVAXVKURYLESPY-UHFFFAOYSA-N","375272",NA,"PDBC13239","654789","Present"
-"2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methylphenyl)acetamide","","CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C","HNTDMEVTKVTHPE-UHFFFAOYSA-N","375273",NA,"PDBC13240","654790","Present"
-"2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide","","CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3","SPYJIPRIWUJTSO-UHFFFAOYSA-N","375267",NA,"PDBC13241","654784","Present"
-"2-((5-(6-(5-((2-Hydroxyethyl)imino)-4-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)-2-pyridinyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene)amino)ethanol","","","","","","","","","","","","","","","","","","","","2,2'-(5,5'-(pyridine-2,6-diyl)bis(3-methyl-1,3,4-thiadia...","","CN1C(=NCCO)SC(=N1)C2=NC(=CC=C2)C3=NN(C(=NCCO)S3)C","OWHWSPWYIUXPFK-UHFFFAOYSA-N","375402",NA,"PDBC13242","655073","Present"
-"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dimethylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dimethylphenyl)acetamide","","CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3)C","NAUARTPFUAAXPV-UHFFFAOYSA-N","375293",NA,"PDBC13243","654810","Present"
-"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2-ethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2-ethoxyphenyl)acetamide","","CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","GMJYUFGUSOAYCH-UHFFFAOYSA-N","375292",NA,"PDBC13244","654809","Present"
-"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamide","","C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)Cl","HRJPMEAENISKTQ-UHFFFAOYSA-N","375290",NA,"PDBC13245","654807","Present"
-"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-chloro-2-(hydroxy(oxido)amino)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-chloro-2-(hydroxy(oxido)amino)phenyl)acetamide","","C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]","PCKUNCAWWBINPM-UHFFFAOYSA-N","375294",NA,"PDBC13246","654811","Present"
-"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-chlorophenyl)acetamide","","C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Cl","PRWQHVQGILQSEP-UHFFFAOYSA-N","375291",NA,"PDBC13247","654808","Present"
-"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide","","COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","AGWZJFKRLCZWNA-UHFFFAOYSA-N","375287",NA,"PDBC13248","654804","Present"
-"2-((5-Hydroxypentyl)amino)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2LN1F3Z653","","C1=NC2=C(N1)C(=O)NC(=N2)NCCCCCO","BAOIEYLBLQZUQM-UHFFFAOYSA-N","135440020",NA,"PDBC13249","681689","Present"
-"2-((5-Methyl-3-isoxazolyl)amino)-4-((5-methyl-3-isoxazolyl)imino)-1(4H)-naphthalenone","","","","","","","","","","","","","","","","","","","","2-((5-Methyl-3-isoxazolyl)amino)-4-((5-methyl-3-isoxazolyl)imino)-1(4H)-naphthalenone","","CC1=CC(=NO1)NC2=CC(=NC3=NOC(=C3)C)C4=CC=CC=C4C2=O","FNXSJJOERAANTF-UHFFFAOYSA-N","373420",NA,"PDBC13250","649750","Present"
-"2-((5-Methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide","","","","","","","","","","","","","","","","","","","","2-((5-Methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide","","CC1=NC2=C(C(=N1)SCC(=O)N)SC(=S)N2C3=CC=CC=C3","WWEOLCGXFUSJHZ-UHFFFAOYSA-N","378704",NA,"PDBC13251","661809","Present"
-"2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxybenzoic acid","","","","","","","","","","","","","","","","","","","","2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxybenzoic acid","","CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3C(=O)O)OC)OC)OC)OC","HHJDPQAEMMYUCU-UHFFFAOYSA-N","363412",NA,"PDBC13252","628316","Present"
-"2-((6,8-Dichloro-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol","","","","","","","","","","","","","","","","","","","","2-((6,8-Dichloro-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol","","CC1=C2C(=C3C(=CC(=CC3=NC2=NC(=O)N1)Cl)Cl)NC(C)(CO)CO","CEROURMTWFNICX-UHFFFAOYSA-N","386385",NA,"PDBC13253","678356","Present"
-"2-((6-(2-(6-(Tetrahydro-2H-pyran-2-yloxy)hexyl)ditellanyl)hexyl)oxy)tetrahydro-2H-pyran","","","","","","","","","","","","","","","","","","","","2-((6-(2-(6-(Tetrahydro-2H-pyran-2-yloxy)hexyl)ditellanyl)hexyl)oxy)tetrahydro-2H-pyran","","C1CCOC(C1)OCCCCCC[Te][Te]CCCCCCOC2CCCCO2","UFZDRSMNQUJOFQ-UHFFFAOYSA-N","363966",NA,"PDBC13254","629503","Present"
-"2-((6-Chloro-2-methoxy-9-acridinyl)thio)-N-(2'-((((6-chloro-2-methoxy-9-acridinyl)thio)acetyl)amino)[1,1'-biphenyl]-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(6-Chloro-2-methoxyacridin-9-yl)sulfanyl-N-[2-[2-[[2-(6-chloro-2-methoxyacridin-9-yl)sulfanylacetyl]amino]phenyl]phenyl]acetamide","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CSC6=C7C=C(C=CC7=NC8=C6C=CC(=C8)Cl)OC","PYKZBIUZNLXPPS-UHFFFAOYSA-N","371148",NA,"PDBC13255","645152","Present"
-"2-((6-Imino-4-(3-methoxyphenyl)-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol","","","","","","","","","","","","","","","","","","","","4-H-Pyrazolo[3,4][1,3]thiazin-6-amine, 1-(2-hydroxybenzo...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)OC)C(=O)C4=CC=CC=C4O","BDYGXBHZVFIJOH-UHFFFAOYSA-N","376874",NA,"PDBC13256","657994","Present"
-"2-((6-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-((6-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid","","CC1=CC2=C(CC(C2=O)CC3=CC=CC=C3C(=O)O)C=C1","KSJSXTLVZZPHDI-UHFFFAOYSA-N","385694",NA,"PDBC13257","677040","Present"
-"2-((7-Acetyl-2,3-dihydro-1H-inden-5-yl)methyl)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one","","","","","","","","","","","","","","","","","","","","2-((7-Acetyl-2,3-dihydro-1H-inden-5-yl)methyl)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one","","CC(=O)C1=CC(=CC2=C1CCC2)CC3CC4=C(C3=O)C=C5CCCC5=C4","XWTNIBVQFQJNHH-UHFFFAOYSA-N","382687",NA,"PDBC13258","670335","Present"
-"2-((7-Ethoxy-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol","","","","","","","","","","","","","","","","","","","","2-((7-Ethoxy-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol","","CCOC1=CC2=C(C3=C(NC(=O)N=C3N=C2C=C1)C)NC(C)(CO)CO","KGOJPEJFYLHNCM-UHFFFAOYSA-N","386386",NA,"PDBC13259","678357","Present"
-"2-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methylamino)-3-phenylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methylamino...","","C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O","LBUXRSIZBJQCAB-UHFFFAOYSA-N","5466062",NA,"PDBC13260","673340","Present"
-"2-((7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol","","","","","","","","","","","","","","","","","","","","2-((7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol","","CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","CHLPTPUGQIRMDQ-UHFFFAOYSA-N","381390",NA,"PDBC13261","667930","Present"
-"2-((8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol","","","","","","","","","","","","","","","","","","","","2-((8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol","","CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=C(C(=CC=C4)OC)OC","CKUCWPTUZQKDGP-UHFFFAOYSA-N","381376",NA,"PDBC13262","667916","Present"
-"2-((8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol","","","","","","","","","","","","","","","","","","","","2-((8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol","","CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=CC=C(C=C4)OC","MFAQRALUOKQDAT-UHFFFAOYSA-N","381366",NA,"PDBC13263","667906","Present"
-"2-((9-Thioxo-9,10-dihydro-3-acridinyl)amino)-N-(2'-((((9-thioxo-9,10-dihydro-3-acridinyl)amino)acetyl)amino)[1,1'-biphenyl]-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","1,1'-Biphenyl-2,2'-diamine, N,N'-bis[2-[9(10H)thioxo-3-a...","","C1=CC=C2C(=C1)C(=S)C3=C(N2)C=C(C=C3)NCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CNC6=CC7=C(C=C6)C(=S)C8=CC=CC=C8N7","DXDDVYZEVDLWNO-UHFFFAOYSA-N","3004325",NA,"PDBC13264","645153","Present"
-"2-((9H-Purin-6-ylthio)methyl)benzonitrile","","","","","","","","","","","","","","","","","","","","2-((9H-Purin-6-ylthio)methyl)benzonitrile","","C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)C#N","BQDAOERSVJMNCY-UHFFFAOYSA-N","386901",NA,"PDBC13265","679801","Present"
-"2-((Amino(imino)methyl)hydrazono)-3-cyano-N-(2-(hydroxy(oxido)amino)phenyl)-3-(4-(4-(hydroxy(oxido)amino)phenyl)-1,3-thiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-3-Cyano-2-(diaminomethylidenehydrazinylidene)-N-(2-nitrophenyl)-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide","","C1=CC=C(C(=C1)NC(=O)C(=NN=C(N)N)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","GKOLUDYOAONKID-ONUIUJJFSA-N","6077254",NA,"PDBC13266","642063","Present"
-"2-((Aminocarbonyl)hydrazono)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-(carbamoylhydrazinylidene)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=NNC(=O)N)C(=O)NC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]","ODQSSSYQAXSLIF-GXBUFBABSA-N","5935649",NA,"PDBC13267","646812","Present"
-"2-((Aminocarbonyl)hydrazono)-N-(2,6-dimethylphenyl)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(Carbamoylhydrazinylidene)-N-(2,6-dimethylphenyl)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)propanamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=NNC(=O)N)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O","SJFCPSVOSGTHBQ-XYGWBWBKSA-N","9571375",NA,"PDBC13268","649800","Present"
-"2-((Aminocarbonyl)oxy)-1-((4-chlorophenoxy)methyl)ethyl 2-chlorobenzoate","","","","","","","","","","","","","","","","","","","","2-((Aminocarbonyl)oxy)-1-((4-chlorophenoxy)methyl)ethyl 2-chlorobenzoate","","C1=CC=C(C(=C1)C(=O)OC(COC2=CC=C(C=C2)Cl)COC(=O)N)Cl","DXOATRNSTMLOJU-UHFFFAOYSA-N","367010",NA,"PDBC13269","636337","Present"
-"2-((Aminocarbonyl)oxy)-1-((4-chlorophenoxy)methyl)ethyl laurate","","","","","","","","","","","","","","","","","","","","2-((Aminocarbonyl)oxy)-1-((4-chlorophenoxy)methyl)ethyl laurate","","CCCCCCCCCCCC(=O)OC(COC1=CC=C(C=C1)Cl)COC(=O)N","BVVYHAXRDCAAOB-UHFFFAOYSA-N","367254",NA,"PDBC13270","636802","Present"
-"2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2,5-dimethylphenyl)-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2,5-dimethylphenyl)-3-phenylpropanamide","","CC1=CC(=C(C=C1)C)NC(=O)C(=NNC(=S)N)C(C#N)C2=CC=CC=C2","TWLKLEPGFUUZIZ-QJOMJCCJSA-N","6148390",NA,"PDBC13271","625900","Present"
-"2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2,6-dimethylphenyl)-3-(2-methylphenyl)propanamide","","","","","","","","","","","","","","","","","","","","2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2,6-dimethylphenyl)-3-(2-methylphenyl)propanamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=NNC(=S)N)C(C#N)C2=CC=CC=C2C","GQZNNBHFTBPONK-MOHJPFBDSA-N","9570016",NA,"PDBC13272","632014","Present"
-"2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2-methylphenyl)-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2-methylphenyl)-3-phenylpropanamide","","CC1=CC=CC=C1NC(=O)C(=NNC(=S)N)C(C#N)C2=CC=CC=C2","MXYRZUFEJRHOSX-JWGURIENSA-N","5906270",NA,"PDBC13273","632006","Present"
-"2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)propanamide","","","","","","","","","","","","","","","","","","","","2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)propanamide","","CC1=C(C=C(C=C1)NC(=O)C(=NNC(=S)N)C(C#N)C2=CC=CC=C2C)C","HUKGSFITHFXNIA-MOHJPFBDSA-N","9554717",NA,"PDBC13274","625897","Present"
-"2-((Aminocarbothioyl)hydrazono)-4-(4-methoxyphenyl)-4-oxo-N-phenylbutanamide","","","","","","","","","","","","","","","","","","","","2-((Aminocarbothioyl)hydrazono)-4-(4-methoxyphenyl)-4-oxo-N-phenylbutanamide","","COC1=CC=C(C=C1)C(=O)CC(=NNC(=S)N)C(=O)NC2=CC=CC=C2","HIPLHCBZZSISRU-QNGOZBTKSA-N","6186080",NA,"PDBC13275","632025","Present"
-"2-((Aminocarbothioyl)hydrazono)-N-(3,4-dichlorophenyl)-4-oxo-4-phenylbutanamide","","","","","","","","","","","","","","","","","","","","2-((Aminocarbothioyl)hydrazono)-N-(3,4-dichlorophenyl)-4-oxo-4-phenylbutanamide","","C1=CC=C(C=C1)C(=O)CC(=NNC(=S)N)C(=O)NC2=CC(=C(C=C2)Cl)Cl","CWZXQDDEWFYGIO-HMAPJEAMSA-N","5819775",NA,"PDBC13276","625893","Present"
-"2-((Aminocarbothioyl)hydrazono)-N-(3-chlorophenyl)-3-cyano-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","2-((Aminocarbothioyl)hydrazono)-N-(3-chlorophenyl)-3-cyano-3-phenylpropanamide","","C1=CC=C(C=C1)C(C#N)C(=NNC(=S)N)C(=O)NC2=CC(=CC=C2)Cl","KSMVUWUHXZQXOA-JCMHNJIXSA-N","9554718",NA,"PDBC13277","625908","Present"
-"2-((Butylthio)methyl)-5,6-dichloro-1H-imidazo[4,5-b]pyrazine","","","","","","","","","","","","","","","","","","","","2-((Butylthio)methyl)-5,6-dichloro-1H-imidazo[4,5-b]pyrazine","","CCCCSCC1=NC2=C(N1)N=C(C(=N2)Cl)Cl","BYEDVHQRAJNRIW-UHFFFAOYSA-N","5383457",NA,"PDBC13278","169804","Present"
-"2-((Cyano(imino)methyl)amino)-1,3-diisopropylbenzene","","","","","","","","","","","","","","","","","","","","1-cyano-N-(2,6-diisopropylphenyl)formamidine","","CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C#N)N","MLYWMQGNWPKICW-UHFFFAOYSA-N","369712",NA,"PDBC13279","641765","Present"
-"2-((Cyanoacetyl)hydrazono)-N-(3,4-dichlorophenyl)-2-(3-imino-1-phenyl-4-pyrazolidinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-((Cyanoacetyl)hydrazono)-N-(3,4-dichlorophenyl)-2-(3-imino-1-phenyl-4-pyrazolidinyl)acetamide","","C1C(C(=NN1C2=CC=CC=C2)N)C(=NNC(=O)CC#N)C(=O)NC3=CC(=C(C=C3)Cl)Cl","ODAKOHDSCHJOCV-IMRQLAEWSA-N","6280138",NA,"PDBC13280","632007","Present"
-"2-((Decahydro-1-naphthalenylmethyl)(ethyl)amino)ethanol hydrochloride","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[[(decahydro-1-naphthalenyl)methyl]ethylamino...","","CCN(CCO)CC1CCCC2C1CCCC2.Cl","RLFFZCXUCYAINC-UHFFFAOYSA-N","356823",NA,"PDBC13281","614313","Present"
-"2-((Diethylamino)methyl)-N-(2,6-dimethylphenyl)-3-(isonicotinoylhydrazono)butanamide","","","","","","","","","","","","","","","","","","","","2-((Diethylamino)methyl)-N-(2,6-dimethylphenyl)-3-(isonicotinoylhydrazono)butanamide","","CCN(CC)CC(C(=NNC(=O)C1=CC=NC=C1)C)C(=O)NC2=C(C=CC=C2C)C","BSZZXVQQFQKMQO-ITYLOYPMSA-N","5934933",NA,"PDBC13282","641838","Present"
-"2-((Diisopropylamino)carbonyl)-1-cubanecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-((Diisopropylamino)carbonyl)-1-cubanecarboxylic acid","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4C3C25C(=O)O","IZYLCCJAKUIZDA-UHFFFAOYSA-N","369185",NA,"PDBC13283","640891","Present"
-"2-((E)-(2,4-Dihydroxyquinolin-3-yl)diazenyl)-N,N,5-trimethylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-((E)-(2,4-Dihydroxyquinolin-3-yl)diazenyl)-N,N,5-trimethylbenzenesulfonamide","","CC1=CC(=C(C=C1)N=NC2=C(C3=CC=CC=C3NC2=O)O)S(=O)(=O)N(C)C","OUECECSFOVBXOS-UHFFFAOYSA-N","135403626",NA,"PDBC13284","45572","Present"
-"2-((E)-2-(5-Morpholinothiophen-2-yl)vinyl)benzo[d]thiazole","","","","","","","","","","","","","","","","","","","","2-((E)-2-(5-morpholinothiophen-2-yl)vinyl)benzo[d]thiazole","","C1COCCN1C2=CC=C(S2)C=CC3=NC4=CC=CC=C4S3","HMQBQCDPRZOWNE-FNORWQNLSA-N","45028486",NA,"PDBC13285","742932","Present"
-"2-((Ethanethioylamino)methylene)malonamide","","","","","","","","","","","","","","","","","","","","2-((Ethanethioylamino)methylene)malonamide","","CC(=S)NC=C(C(=O)N)C(=O)N","OYHKSQZDWFEDPX-UHFFFAOYSA-N","3004576",NA,"PDBC13286","658487","Present"
-"2-((Hydroxyamino)(phenyl)methyl)cyclohexanone oxime","","","","","","","","","","","","","","","","","","","","2-((Hydroxyamino)(phenyl)methyl)cyclohexanone oxime","","C1CCC(=NO)C(C1)C(C2=CC=CC=C2)NO","RJSSJDYQRKHLLZ-WYMLVPIESA-N","9555822",NA,"PDBC13287","634789","Present"
-"2-((Hydroxyimino)methyl)benzonitrile","","","","","","","","","","","","","","","","","","","","SC-62728","","C1=CC=C(C(=C1)C=NO)C#N","PBMACDJMJFWTQR-UXBLZVDNSA-N","9570050",NA,"PDBC13288","635960","Present"
-"2-((Phenylthio)methylene)malononitrile","","","","","","","","","","","","","","","","","","","","2-((Phenylthio)methylene)malononitrile","","C1=CC=C(C=C1)SC=C(C#N)C#N","PXGKLGPQMNOUFU-UHFFFAOYSA-N","357940",NA,"PDBC13289","617609","Present"
-"2-((bis(pyridin-2-ylmethyl)amino)methyl)","","","","","","","","","","","","","","","","","","","","2-((bis(pyridin-2-ylmethyl)amino)methyl)","","C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=C(C(=CC(=C3)I)I)O","FATDIFUUTNCRIU-UHFFFAOYSA-N","155809231",NA,"PDBC13290","788646","Present"
-"2-(-Methoxy)phenyl-3-((4-methanesulfinyl)phenyl)imidazo[1.2a] pyrimidine","","","","","","","","","","","","","","","","","","","","2-(-methoxy)phenyl-3-((4-methanesulfinyl)phenyl)imidazo[...","","COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C4=CC=C(C=C4)S(=O)C","QNROICIQMVMZAH-UHFFFAOYSA-N","405132",NA,"PDBC13291","722169","Present"
-"2-(1,1-Dioxido-2,5-dihydro-2-thienyl)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1,1-Dioxido-2,5-dihydro-2-thienyl)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide","","C1C=CC(S1(=O)=O)C(=O)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl","WNVOLCQAVWJBMI-UHFFFAOYSA-N","371839",NA,"PDBC13292","646357","Present"
-"2-(1,1-Dioxido-2,5-dihydro-2-thienyl)-N-(3-methoxyphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(1,1-Dioxido-2,5-dihydro-2-thienyl)-N-(3-methoxyphenyl)-2-oxoacetamide","","COC1=CC=CC(=C1)NC(=O)C(=O)C2C=CCS2(=O)=O","MESIDFREBTYVKL-UHFFFAOYSA-N","371837",NA,"PDBC13293","646353","Present"
-"2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-ethyl-6-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-ethyl-6-methylphenyl)acetamide","","CCC1=CC=CC(=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C","WBXORJWVWHXNKO-UHFFFAOYSA-N","366123",NA,"PDBC13294","634410","Present"
-"2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-isopropyl-6-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-isopropyl-6-methylphenyl)acetamide","","CC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","WSAOLIOILJZLJC-UHFFFAOYSA-N","366128",NA,"PDBC13295","634415","Present"
-"2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(4-ethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(4-ethoxyphenyl)acetamide","","CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","FMLACWODVBIRRF-UHFFFAOYSA-N","365856",NA,"PDBC13296","633930","Present"
-"2-(1,2,3,5,6,7-Hexahydro-s-indacen-2-ylmethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(1,2,3,5,6,7-Hexahydro-s-indacen-2-ylmethyl)benzoic acid","","C1CC2=CC3=C(CC(C3)CC4=CC=CC=C4C(=O)O)C=C2C1","OEYOMJBEZBBMOK-UHFFFAOYSA-N","384712",NA,"PDBC13297","674948","Present"
-"2-(1,2,3,5,6,7-Hexahydropyrazolo[1,2-a]pyrazol-4-ium-4-yl)ethanol;bromide","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxyethyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazol-4-ium bromide","","C1CN2CCC[N+]2(C1)CCO.[Br-]","AHFKIYSRPRZVRM-UHFFFAOYSA-M","366002",NA,"PDBC13298","634175","Present"
-"2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid","","C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)O","XZGDBVGWDJBZRI-UHFFFAOYSA-N","332060",NA,"PDBC13299","327704","Present"
-"2-(1,2,4-Triazol-4-ylcarbamoyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4R-0046","","C1=CC=C(C(=C1)C(=O)NN2C=NN=C2)C(=O)O","JXXNYVAHSXIBNI-UHFFFAOYSA-N","390154",NA,"PDBC13300","687222","Present"
-"2-(1,2,4-Triazol-4-ylcarbamoyl)cyclohexanecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-(1,2,4-Triazol-4-ylcarbamoyl)cyclohexanecarboxylic acid","","C1CCC(C(C1)C(=O)NN2C=NN=C2)C(=O)O","OGWHNTMNJNMHIL-UHFFFAOYSA-N","390153",NA,"PDBC13301","687221","Present"
-"2-(1,2-Benzisothiazol-3-yl)-6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","2-(1,2-Benzisothiazol-3-yl)-6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinone","","C1CC(=O)N(N=C1C2=CC=C(C=C2)Cl)C3=NSC4=CC=CC=C43","DWFPROYEIKXIBY-UHFFFAOYSA-N","374741",NA,"PDBC13302","652933","Present"
-"2-(1,2-Benzisothiazol-3-yl)-6-(4-methoxyphenyl)-4,5-dihydro-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","2-(1,2-Benzisothiazol-3-yl)-6-(4-methoxyphenyl)-4,5-dihydro-3(2H)-pyridazinone","","COC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=NSC4=CC=CC=C43","UBLFVASNCCFPTJ-UHFFFAOYSA-N","374742",NA,"PDBC13303","652934","Present"
-"2-(1,2-Benzisothiazol-3-yl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","2-(1,2-Benzisothiazol-3-yl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone","","C1CC(=O)N(N=C1C2=CC=CC=C2)C3=NSC4=CC=CC=C43","LJWKIFNQFUEEQL-UHFFFAOYSA-N","374740",NA,"PDBC13304","652932","Present"
-"2-(1,2-Benzothiazol-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(1,2-Benzothiazol-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole","","C1=CC=C2C(=C1)C(=NS2)C3=NN=C(O3)C4=CC=C(C=C4)Cl","VYERSUGCIQQFTN-UHFFFAOYSA-N","374724",NA,"PDBC13305","652916","Present"
-"2-(1,2-Benzothiazol-3-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(1,2-Benzothiazol-3-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole","","COC1=CC=C(C=C1)C2=NN=C(O2)C3=NSC4=CC=CC=C43","UJUUFEWZUGLNMD-UHFFFAOYSA-N","374725",NA,"PDBC13306","652917","Present"
-"2-(1,2-Benzothiazol-3-yl)-5-phenyl-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(1,2-Benzothiazol-3-yl)-5-phenyl-1,3,4-oxadiazole","","C1=CC=C(C=C1)C2=NN=C(O2)C3=NSC4=CC=CC=C43","LQCNYQSVWRBJNB-UHFFFAOYSA-N","374723",NA,"PDBC13307","652915","Present"
-"2-(1,2-Dibromoethyl)-2-(3,4-dibromo-4-methylpentyl)oxirane","","","","","","","","","","","","","","","","","","","","2-(1,2-Dibromoethyl)-2-(3,4-dibromo-4-methylpentyl)oxirane","","CC(C)(C(CCC1(CO1)C(CBr)Br)Br)Br","GGAPYRSAAHUZID-UHFFFAOYSA-N","379562",NA,"PDBC13308","664244","Present"
-"2-(1,2-Dimethylindole-3-carbonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","STL349635","","CC1=C(C2=CC=CC=C2N1C)C(=O)C3=CC=CC=C3C(=O)O","BFRLZKOUBZTJSY-UHFFFAOYSA-N","362924",NA,"PDBC13309","627400","Present"
-"2-(1,3-Benzodioxol-4-yl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-4-yl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=C5C(=CC=C4)OCO5","CUKKDPARJGAVIG-UHFFFAOYSA-N","364787",NA,"PDBC13310","631546","Present"
-"2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone","","C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=NC4=C(C=C(C=C4)Cl)NC3=O)O","PTWWYQBPMSDVLV-UHFFFAOYSA-N","370089",NA,"PDBC13311","642649","Present"
-"2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone phenylhydrazone","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone phenylhydrazone","","C1OC2=C(O1)C=C(C=C2)C(C(=NNC3=CC=CC=C3)C4=NC5=C(C=C(C=C5)Cl)NC4=O)O","AMOFYCBJKJUYIT-VFCFBJKWSA-N","135499269",NA,"PDBC13312","647591","Present"
-"2-(1,3-Benzodioxol-5-yl)-2-hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(benzo[d][1,3]dioxol-5-yl)-2-hydroxy-1-(3-hydroxy-6-ni...","","C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)O","YKWZVHIDWRCNJZ-UHFFFAOYSA-N","372008",NA,"PDBC13313","646824","Present"
-"2-(1,3-Benzodioxol-5-yl)-2-hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethanone phenylhydrazone","","","","","","","","","","","","","","","","","","","","3-[(E)-N-Anilino-C-[1,3-benzodioxol-5-yl(hydroxy)methyl]carbonimidoyl]-7-nitro-1H-quinoxalin-2-one","","C1OC2=C(O1)C=C(C=C2)C(C(=NNC3=CC=CC=C3)C4=NC5=C(C=C(C=C5)[N+](=O)[O-])NC4=O)O","CZLSLCSHFUTIIE-NHFJDJAPSA-N","135499265",NA,"PDBC13314","647583","Present"
-"2-(1,3-Benzodioxol-5-yl)-3-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-5-yl)-3-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one","","CC1(CCC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C4=CC5=C(C=C4)OCO5)O)C","CFRTUWHTAHESBJ-UHFFFAOYSA-N","360766",NA,"PDBC13315","623106","Present"
-"2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one","","COC1=C(C=C(C=C1)C2C=C(OC3=C2C(=O)OC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6)OC","AXGMPAAIRJSHFS-UHFFFAOYSA-N","309280",NA,"PDBC13316","211489","Present"
-"2-(1,3-Benzodioxol-5-yl)-4-(4-bromophenyl)-1-(2-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-5-yl)-4-(4-bromophenyl)-1-(2-thienyl)-1,4-butanedione","","C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CS4","OHXMFITZQYJQPG-UHFFFAOYSA-N","376695",NA,"PDBC13317","657738","Present"
-"2-(1,3-Benzodioxol-5-yl)-4-(4-methylphenyl)-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-5-yl)-4-(4-methylphenyl)-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S(=O)C(C2)C4=CC5=C(C=C4)OCO5","GMYJBOFZFKZBKH-UHFFFAOYSA-N","359785",NA,"PDBC13318","621349","Present"
-"2-(1,3-Benzodioxol-5-yl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-5-yl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6","JTOZVFYVXSCPIW-UHFFFAOYSA-N","359797",NA,"PDBC13319","621358","Present"
-"2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-(2-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-thiophen-2-ylbutane-1,4-dione","","C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=CC=C3)C(=O)C4=CC=CS4","YEYXIEALHBBHLC-UHFFFAOYSA-N","395488",NA,"PDBC13320","700130","Present"
-"2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-thiophen-3-ylbutane-1,4-dione","","C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=CC=C3)C(=O)C4=CSC=C4","VSCXIPVGAHJNJA-UHFFFAOYSA-N","395524",NA,"PDBC13321","700214","Present"
-"2-(1,3-Benzodioxol-5-yl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzodioxol-5-yl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one","","C1CSC2=NC(=NN2C1=O)C3=CC4=C(C=C3)OCO4","ZSBTZQYVEKVPCJ-UHFFFAOYSA-N","378737",NA,"PDBC13322","661837","Present"
-"2-(1,3-Benzodioxol-5-yl)-5-tert-butyl-9-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(1,...","","CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC7=C(C=C6)OCO7)C(C)(C)C","XLOWVLGBDIHZSC-UHFFFAOYSA-N","397884",NA,"PDBC13323","706740","Present"
-"2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid","","","","","","","","","","","","","","","","","","","","2-(benzo[d][1,3]dioxol-5-ylmethyl)succinic acid","","C1OC2=C(O1)C=C(C=C2)CC(CC(=O)O)C(=O)O","VXIGMHUBZXMCIU-UHFFFAOYSA-N","284727",NA,"PDBC13324","140905","Present"
-"2-(1,3-Benzodioxol-5-ylmethyl)guanidine;hydroiodide","","","","","","","","","","","","","","","","","","","","NSC664536","","C1OC2=C(O1)C=C(C=C2)CN=C(N)N.I","WXEHPOOEVMDNAD-UHFFFAOYSA-N","379658",NA,"PDBC13325","664536","Present"
-"2-(1,3-Benzothiazol-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzothiazol-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol","","C1=CC=C2C(=C1)N=C(S2)C(C(F)(F)F)(C(F)(F)F)O","XYYXVJZPTZAGFE-UHFFFAOYSA-N","379601",NA,"PDBC13326","664302","Present"
-"2-(1,3-Benzothiazol-2-yl)-2-(2-chloro-5-methylpyrimidin-4-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzothiazol-2-yl)-2-(2-chloro-5-methyl-pyrimidin-4-yl)acetonitrile","","CC1=CN=C(N=C1C(C#N)C2=NC3=CC=CC=C3S2)Cl","GTZSORQNNUISHZ-UHFFFAOYSA-N","395220",NA,"PDBC13327","699695","Present"
-"2-(1,3-Benzothiazol-2-yl)-2-(5-bromo-2-chloropyrimidin-4-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","1,3-Benzothiazol-2-yl(5-bromo-2-chloropyrimidin-4-yl)acetonitrile","","C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3Br)Cl","IGQADIBKPMFHOW-UHFFFAOYSA-N","395221",NA,"PDBC13328","699696","Present"
-"2-(1,3-Benzothiazol-2-yl)-2-(6-chloro-5-nitropyrimidin-4-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","1,3-Benzothiazol-2-yl(6-chloro-5-nitropyrimidin-4-yl)acetonitrile","","C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=C(C(=NC=N3)Cl)[N+](=O)[O-]","XGRXYXAJEJDAKE-UHFFFAOYSA-N","395228",NA,"PDBC13329","699703","Present"
-"2-(1,3-Benzothiazol-2-yl)-2-(6-chloropyrimidin-4-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzothiazol-2-yl)-2-(6-chloropyrimidin-4-yl)acetonitrile","","C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=CC(=NC=N3)Cl","UJUCUFQXQWOTOY-UHFFFAOYSA-N","395224",NA,"PDBC13330","699699","Present"
-"2-(1,3-Benzothiazol-2-yl)-6-chloro-2-hexanol","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzothiazol-2-yl)-6-chloro-2-hexanol","","CC(CCCCCl)(C1=NC2=CC=CC=C2S1)O","ZQVRDOKJDVPZML-UHFFFAOYSA-N","354682",NA,"PDBC13331","606989","Present"
-"2-(1,3-Benzothiazol-2-yl)-N-(2,3-dimethylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzothiazol-2-yl)-N-(2,3-dimethylphenyl)acetamide","","CC1=C(C(=CC=C1)NC(=O)CC2=NC3=CC=CC=C3S2)C","ULYUOYZCKYRSSQ-UHFFFAOYSA-N","364781",NA,"PDBC13332","631540","Present"
-"2-(1,3-Benzothiazol-2-yl)-N-(2-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzothiazol-2-yl)-N-(2-methylphenyl)acetamide","","CC1=CC=CC=C1NC(=O)CC2=NC3=CC=CC=C3S2","DIPSEAZKLSDWEM-UHFFFAOYSA-N","359782",NA,"PDBC13333","621347","Present"
-"2-(1,3-Benzothiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzothiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide","","C1=CC=C2C(=C1)N=C(S2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F","LCLFTUZRQKZADK-UHFFFAOYSA-N","364782",NA,"PDBC13334","631541","Present"
-"2-(1,3-Benzothiazol-2-yl)-N-(4-sulfamoylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzothiazol-2-yl)-N-(4-sulfamoylphenyl)acetamide","","C1=CC=C2C(=C1)N=C(S2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N","ORXWNCCBUMNYFE-UHFFFAOYSA-N","365126",NA,"PDBC13335","632226","Present"
-"2-(1,3-Benzothiazol-2-ylsulfonylmethyl)-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzothiazol-2-ylsulfonylmethyl)-1,3-benzothiazole","","C1=CC=C2C(=C1)N=C(S2)CS(=O)(=O)C3=NC4=CC=CC=C4S3","IEDDNQACSVMKHL-UHFFFAOYSA-N","384660",NA,"PDBC13336","674705","Present"
-"2-(1,3-Benzothiazol-2-yltrisulfanyl)-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzothiazol-2-yltrisulfanyl)-1,3-benzothiazole","","C1=CC=C2C(=C1)N=C(S2)SSSC3=NC4=CC=CC=C4S3","NNXFFSJFGWVCOK-UHFFFAOYSA-N","394289",NA,"PDBC13337","697656","Present"
-"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(2-furyl)ethanol","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(2-furyl)ethanol","","C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=CO3)O)(F)F","POTNIXVIYAKWHM-UHFFFAOYSA-N","393816",NA,"PDBC13338","696595","Present"
-"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-fluorophenyl)ethanol","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-fluorophenyl)ethanol","","C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=C(C=C3)F)O)(F)F","NIGPZORFTBMLFX-UHFFFAOYSA-N","393815",NA,"PDBC13339","696594","Present"
-"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanol","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanol","","C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(C3=NC4=CC=CC=C4O3)(F)F)O","LGWTVZUAPGUCEF-UHFFFAOYSA-N","393813",NA,"PDBC13340","696592","Present"
-"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol","","C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=C(C=C3)C(F)(F)F)O)(F)F","MIWUMKSCGWRGMS-UHFFFAOYSA-N","393817",NA,"PDBC13341","696596","Present"
-"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-phenyl-ethanol","","","","","","","","","","","","","","","","","","","","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-phenylethanol","","C1=CC=C(C=C1)C(C(C2=NC3=CC=CC=C3O2)(F)F)O","CWKPDVXSCKWZGL-UHFFFAOYSA-N","393812",NA,"PDBC13342","696591","Present"
-"2-(1,3-Benzoxazol-2-yl)-2-[(4-chlorophenyl)diazenyl]acetonitrile","","","","","","","","","","","","","","","","","","","","1,3-Benzoxazol-2-yl[(e)-(4-chlorophenyl)diazenyl]acetonitrile","","C1=CC=C2C(=C1)N=C(O2)C(C#N)N=NC3=CC=C(C=C3)Cl","USTWTAVJIXUQCL-UHFFFAOYSA-N","404460",NA,"PDBC13343","720666","Present"
-"2-(1,3-Benzoxazol-2-yl)-2-cyclohexylideneacetonitrile","","","","","","","","","","","","","","","","","","","","1,3-Benzoxazol-2-yl(cyclohexylidene)acetonitrile","","C1CCC(=C(C#N)C2=NC3=CC=CC=C3O2)CC1","UQLOWACSYNSYSO-UHFFFAOYSA-N","404458",NA,"PDBC13344","720664","Present"
-"2-(1,3-Benzoxazol-2-yl)-2-phenyldiazenylacetonitrile","","","","","","","","","","","","","","","","","","","","1,3-Benzoxazol-2-yl[(e)-phenyldiazenyl]acetonitrile","","C1=CC=C(C=C1)N=NC(C#N)C2=NC3=CC=CC=C3O2","OVYAMTZJDXWTJI-UHFFFAOYSA-N","404459",NA,"PDBC13345","720665","Present"
-"2-(1,3-Cyclohexadien-1-yl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","2-(1,3-Cyclohexadien-1-yl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","C1CC(=CC=C1)C2CC(=NC3=CC=CC=C3S2=O)C4=CC5=CC=CC=C5C=C4","ZHQJPPISJQIXSJ-UHFFFAOYSA-N","364778",NA,"PDBC13346","631537","Present"
-"2-(1,3-Dibenzoylindol-2-yl)-1-(3,5-dimethoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(1,3-Dibenzoyl-1H-indol-2-yl)-1-(3,5-dimethoxyphenyl)ethanone","","COC1=CC(=CC(=C1)C(=O)CC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC","WXCVRAYRFWXQHX-UHFFFAOYSA-N","374844",NA,"PDBC13347","653270","Present"
-"2-(1,3-Dibenzoylindol-2-yl)-1-(4-methoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(1,3-Dibenzoyl-1H-indol-2-yl)-1-(4-methoxyphenyl)ethanone","","COC1=CC=C(C=C1)C(=O)CC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","VOVUJTNHLIGQHL-UHFFFAOYSA-N","374843",NA,"PDBC13348","653269","Present"
-"2-(1,3-Dimethyl-1-(4-morpholinyl)-3-butenyl)-1-methyl-1H-indole","","","","","","","","","","","","","","","","","","","","2-(1,3-Dimethyl-1-(4-morpholinyl)-3-butenyl)-1-methyl-1H-indole","","CC(=C)CC(C)(C1=CC2=CC=CC=C2N1C)N3CCOCC3","UMMWOXQAHOJZNA-UHFFFAOYSA-N","372683",NA,"PDBC13349","648216","Present"
-"2-(1,3-Dimethylhexahydropyrimidin-2-yl)-4-nitrophenol","","","","","","","","","","","","","","","","","","","","2-(1,3-Dimethylhexahydropyrimidin-2-yl)-4-nitrophenol","","CN1CCCN(C1C2=C(C=CC(=C2)[N+](=O)[O-])O)C","KYDMEEVGQIIUIW-UHFFFAOYSA-N","288749",NA,"PDBC13350","150080","Present"
-"2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid","","","","","","","","","","","","","","","","","","","","2-Isoindolineacetic acid, .alpha.-isopropyl-1,3-dioxo- (...","","CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O","UUIPGCXIZVZSEC-UHFFFAOYSA-N","138417",NA,"PDBC13351","27515","Present"
-"2-(1,3-Dioxoinden-2-ylidene)-2-(2-hydroxyethylamino)acetonitrile","","","","","","","","","","","","","","","","","","","","(1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)((2-hydroxyethyl)amino)acetonitrile","","C1=CC=C2C(=C1)C(=C(C2=O)C(=NCCO)C#N)O","OVBXUZCXBGEKAR-UHFFFAOYSA-N","135403621",NA,"PDBC13352","379390","Present"
-"2-(1,3-Dioxoisoindol-2-yl)-2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(1,3-Dioxoisoindol-2-yl)-2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride","","C1CSC(N1)C(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O.Cl","ZAPFQWSBACWGKA-UHFFFAOYSA-N","5351977",NA,"PDBC13353","117462","Present"
-"2-(1,3-Dioxoisoindol-2-yl)-4-phenylbutanoic acid","","","","","","","","","","","","","","","","","","","","WHOUFHZODDPMPG-UHFFFAOYSA-N","","C1=CC=C(C=C1)CCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O","WHOUFHZODDPMPG-UHFFFAOYSA-N","240480",NA,"PDBC13354","46685","Present"
-"2-(1,3-Dioxoisoindol-2-yl)ethyl selenocyanate","","","","","","","","","","","","","","","","","","","","NSC48820","","C1=CC=C2C(=C1)C(=O)N(C2=O)CC[Se]C#N","UJUAYZXXNLITJJ-UHFFFAOYSA-N","241444",NA,"PDBC13355","48820","Present"
-"2-(1,3-Diphenylpropan-2-yl)-1,4,5,6-tetrahydropyrimidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(1,3-Diphenylpropan-2-yl)-1,4,5,6-tetrahydropyrimidine;hydrochloride","","C1CNC(=NC1)C(CC2=CC=CC=C2)CC3=CC=CC=C3.Cl","ZISQOYMCVDNGDY-UHFFFAOYSA-N","54599069",NA,"PDBC13356","70568","Present"
-"2-(1,3-Disulfanylpropan-2-ylidene)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Propanone, 1,3-dimercapto-, semicarbazone","","C(C(=NNC(=O)N)CS)S","MJKDGEMYBONGQZ-UHFFFAOYSA-N","256143",NA,"PDBC13357","82493","Present"
-"2-(1,3-Dithian-2-yl)-1-phenylethanol","","","","","","","","","","","","","","","","","","","","2-(1,3-Dithian-2-yl)-1-phenylethanol","","C1CSC(SC1)CC(C2=CC=CC=C2)O","DOCOVYUSEWNSAF-UHFFFAOYSA-N","358342",NA,"PDBC13358","618307","Present"
-"2-(1,3-Dithian-5-yl)benzylamine","","","","","","","","","","","","","","","","","","","","2-(1,3-Dithian-5-yl)benzylamine","","C1C(CSCS1)C2=CC=CC=C2CN","PTKLPAXKGHNKDZ-UHFFFAOYSA-N","374813",NA,"PDBC13359","653150","Present"
-"2-(1,3-Dithietan-2-ylidene)-2-nitroacetonitrile","","","","","","","","","","","","","","","","","","","","Acetonitrile, 1,3-dithietan-2-ylidenenitro-","","C1SC(=C(C#N)[N+](=O)[O-])S1","NOKRHONZSZUEHQ-UHFFFAOYSA-N","330355",NA,"PDBC13360","318460","Present"
-"2-(1,3-Oxazol-2-ylamino)-N-[4-[4-[[2-(1,3-oxazol-2-ylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(1,3-Oxazol-2-ylamino)-N-[4-[4-[[2-(1,3-oxazol-2-ylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide","","C1=CC(=CC=C1NC(=O)CNC2=NC=CO2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CNC4=NC=CO4","RPKOHKQZDIKLQW-UHFFFAOYSA-N","235925",NA,"PDBC13361","37815","Present"
-"2-(1,3-Oxazol-5-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-(1,3-Oxazol-5-yl)ethanol","","C1=C(OC=N1)CCO","IKJGHVPKJBNLJA-UHFFFAOYSA-N","358996",NA,"PDBC13362","619208","Present"
-"2-(1,3-Pentadienyl)-5-aminooxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(1,3-Pentadienyl)-5-aminooxazole-4-carbonitrile","","CC=CC=CC1=NC(=C(O1)N)C#N","DNBZIBWOJPDNQY-MQQKCMAXSA-N","5469180",NA,"PDBC13363","683891","Present"
-"2-(1,4,7-Triazonan-1-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(1,4,7-Triazonan-1-yl)acetic acid","","C1CNCCN(CCN1)CC(=O)O","SQWPTEOHBLSZQE-UHFFFAOYSA-N","393897",NA,"PDBC13364","696857","Present"
-"2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)-1-butanol","","","","","","","","","","","","","","","","","","","","2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)-1-butanol","","C1CC2(CC=C1C(CCC3=CC=CC=C3I)CO)OCCO2","ZZWADSABOYPTSV-UHFFFAOYSA-N","395122",NA,"PDBC13365","699413","Present"
-"2-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-phenyl-7-(2-thienyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN4C(C(=C(NC4=C3)C5=CC=CC=C5)C#N)C6=CC=CS6","DIFIEMOZOPACFC-UHFFFAOYSA-N","362825",NA,"PDBC13366","627182","Present"
-"2-(1,8-Dioxo-2,3,4,5,6,7,8,9-octahydro-10(1H)-acridinyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(1,8-Dioxo-2,3,4,5,6,7,8,9-octahydro-10(1H)-acridinyl)benzoic acid","","C1CC2=C(CC3=C(N2C4=CC=CC=C4C(=O)O)CCCC3=O)C(=O)C1","IIFLRCBSRQNUQS-UHFFFAOYSA-N","379945",NA,"PDBC13367","665137","Present"
-"2-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)ethanol","","","","","","","","","","","","","","","","","","","","2-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)ethanol","","C1CC(C1)(CCO)CNC2=CC(=NC(=N2)N)Cl","XJAWGTCPZMWLAC-UHFFFAOYSA-N","385225",NA,"PDBC13368","676338","Present"
-"2-(1-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-3-(2-hydroxyphenyl)-2-propenylidene)hydrazinecarboximidamide","","","","","","","","","","","","","","","","","","","","2-[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(2-hydroxyphenyl)prop-2-enylidene]amino]guanidine","","CC1=C(SC(=N1)NNC(=O)C)C(=NN=C(N)N)C=CC2=CC=CC=C2O","NTLVAKQUJICNDB-LRWKZWCDSA-N","135499276",NA,"PDBC13369","647607","Present"
-"2-(1-(2-Chlorobenzyl)-2-methyl-5-(methylthio)-1H-indol-3-yl)ethanamine, hydrochloride","","","","","","","","","","","","","","","","","","","","2-(1-(2-chlorobenzyl)-2-methyl-5-(methylthio)-1H-indol-3...","","CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=CC(=C2)SC)CCN.Cl","IORPXUDDKDSURS-UHFFFAOYSA-N","24182510",NA,"PDBC13370","17383","Present"
-"2-(1-(3,4,5-Trimethoxyphenyl)propylidene)malononitrile","","","","","","","","","","","","","","","","","","","","2-(1-(3,4,5-Trimethoxyphenyl)propylidene)malononitrile","","CCC(=C(C#N)C#N)C1=CC(=C(C(=C1)OC)OC)OC","FCEMZEGMFYPZHE-UHFFFAOYSA-N","374957",NA,"PDBC13371","653615","Present"
-"2-(1-(3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)-2,5-cyclohexadien-1-yl)ethylidene)malonamide","","","","","","","","","","","","","","","","","","","","2-(1-(3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)-2,5-cyclohexadien-1-yl)ethylidene)malonamide","","CC(=C(C(=O)N)C(=O)N)C1C=C(CC(=C1O)C2=CC=C(C=C2)Cl)C3=CC=CS3","QINYNRKXUCSWJJ-UHFFFAOYSA-N","392312",NA,"PDBC13372","692588","Present"
-"2-(1-(4-(2-Pyridyl)piperazino))naphthazarin","","","","","","","","","","","","","","","","","","","","2-(1-(4-(2-Pyridyl)piperazino))naphthazarin","","C1CN(CCN1C2=CC=CC=N2)C3=CC(=O)C4=C(C=CC(=C4C3=O)O)O","HEWUHYSMTMXSKM-UHFFFAOYSA-N","376947",NA,"PDBC13373","658142","Present"
-"2-(1-(4-(Dimethylamino)phenyl)-2-(9H-thioxanthen-9-ylidene)ethylidene)malononitrile","","","","","","","","","","","","","","","","","","","","2-(1-(4-(Dimethylamino)phenyl)-2-(9H-thioxanthen-9-ylidene)ethylidene)malononitrile","","CN(C)C1=CC=C(C=C1)C(=C(C#N)C#N)C=C2C3=CC=CC=C3SC4=CC=CC=C42","OQUZBDCNUWNKQE-UHFFFAOYSA-N","363964",NA,"PDBC13374","629501","Present"
-"2-(1-(4-(N-Ipropylacetamido)piperazine))-3-chloro-5,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-(1-(4-(N-iPropylacetamido)piperazine))-3-chloro- 5,8-d...","","CC(C)NC(=O)CN1CCN(CC1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","OGMQVHZJFXYVQM-UHFFFAOYSA-N","438683",NA,"PDBC13375","658445","Present"
-"2-(1-(4-(N-Ipropylacetamido)piperazine))-5,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-(1-(4-(N-iPropylacetamido)piperazine))-5,8-dihydroxy- ...","","CC(C)NC(=O)CN1CCN(CC1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O","VWLXYTOSWLXXFC-UHFFFAOYSA-N","438682",NA,"PDBC13376","658444","Present"
-"2-(1-(4-Bromophenyl)ethyl)malonic acid","","","","","","","","","","","","","","","","","","","","2-(1-(4-Bromophenyl)ethyl)malonic acid","","CC(C1=CC=C(C=C1)Br)C(C(=O)O)C(=O)O","TYGVBFOMMPIOEY-UHFFFAOYSA-N","362078",NA,"PDBC13377","625601","Present"
-"2-(1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-2-butanol","","","","","","","","","","","","","","","","","","","","2-(1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-2-butanol","","CCC(C)(C1=CN(N=N1)C2=CC=C(C=C2)Cl)O","QCGAVDFXVYKUDE-UHFFFAOYSA-N","365363",NA,"PDBC13378","632948","Present"
-"2-(1-(4-Chlorophenyl)-5-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine","","","","","","","","","","","","","","","","","","","","2-(1-(4-Chlorophenyl)-5-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine","","C1CNC(=NC1)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","NUFHHRRFCCGPFF-UHFFFAOYSA-N","371086",NA,"PDBC13379","645032","Present"
-"2-(1-(4-Methyl)piperazino)naphthazarin","","","","","","","","","","","","","","","","","","","","2-(1-(4-Methyl)piperazino)naphthazarin","","CN1CCN(CC1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O","RXECSWVTQJGVHH-UHFFFAOYSA-N","378626",NA,"PDBC13380","661419","Present"
-"2-(1-(Methoxymethyl)-1H-pyrazol-4-yl)-3,5,6-trimethylbenzo-1,4-quinone","","","","","","","","","","","","","","","","","","","","2-(1-(Methoxymethyl)-1H-pyrazol-4-yl)-3,5,6-trimethylbenzo-1,4-quinone","","CC1=C(C(=O)C(=C(C1=O)C)C2=CN(N=C2)COC)C","NSVITLWGSHBBRK-UHFFFAOYSA-N","382100",NA,"PDBC13381","669459","Present"
-"2-(1-(Quinolin-2(1H)-ylidenehydrazono)ethyl)phenol","","","","","","","","","","","","","","","","","","","","2-(1-(quinolin-2(1H)-ylidenehydrazono)ethyl)phenol","","CC(=NNC1=NC2=CC=CC=C2C=C1)C3=CC=CC=C3O","IZHPDVLGPQNUBP-XDHOZWIPSA-N","135443554",NA,"PDBC13382","168466","Present"
-"2-(1-Acetoxy-3-oxo-1,2]iodazol-2-yl)-propionic acid methyl ester","","","","","","","","","","","","","","","","","","","","2-(1-Acetoxy-3-oxo-1,3-dihydro-1l3-benzo[d][1,2]iodazol-...","","CC(C(=O)OC)N1C(=O)C2=CC=CC=C2I1OC(=O)C","CAMJFSNITJAXEK-UHFFFAOYSA-N","24203069",NA,"PDBC13383","726628","Present"
-"2-(1-Acetyl-2-methoxyindol-3-yl)-1-phenylethanone","","","","","","","","","","","","","","","","","","","","2-(1-Acetyl-2-methoxyindol-3-yl)-1-phenylethanone","","CC(=O)N1C2=CC=CC=C2C(=C1OC)CC(=O)C3=CC=CC=C3","XSNCPQUOSDMBKU-UHFFFAOYSA-N","360060",NA,"PDBC13384","621858","Present"
-"2-(1-Acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one","","","","","","","","","","","","","","","","","","","","1-(1-Acetyl-1H-indol-3-yl)-5-phenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one","","CC(=O)N1C=C(C2=CC=CC=C21)C3CC34C(=O)OC(=N4)C5=CC=CC=C5","COXOBFSHHBLWJW-UHFFFAOYSA-N","399302",NA,"PDBC13385","709991","Present"
-"2-(1-Adamantyl)-3H-chromeno[3,4-c]pyridine-4,5-dione","","","","","","","","","","","","","","","","","","","","2-(1-Adamantyl)-3H-chromeno[3,4-c]pyridine-4,5-dione","","C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C(=O)N4)C(=O)OC6=CC=CC=C65","DBGDBAKUONXXJW-UHFFFAOYSA-N","397581",NA,"PDBC13386","705901","Present"
-"2-(1-Adamantyl)-5-(2-thienyl)-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(1-Adamantyl)-5-(2-thienyl)-1,3,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC=CS5","AEXVLDHIFPPMAX-UHFFFAOYSA-N","380439",NA,"PDBC13387","665962","Present"
-"2-(1-Adamantyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(1-Adamantyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC=C(C=C5)Cl","UULKOPDDXSIABO-UHFFFAOYSA-N","380436",NA,"PDBC13388","665959","Present"
-"2-(1-Adamantyl)-6-chloro-3-propylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-(1-Adamantyl)-6-chloro-3-propylquinazolin-4-one","","CCCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1C34CC5CC(C3)CC(C5)C4","QVQMPSALEDQSSB-UHFFFAOYSA-N","401150",NA,"PDBC13389","714096","Present"
-"2-(1-Adamantylcarbonyl)-N-benzylhydrazinecarbothioamide","","","","","","","","","","","","","","","","","","","","STK040860","","C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)NCC4=CC=CC=C4","VDFMALRIYRBPNL-UHFFFAOYSA-N","3004971",NA,"PDBC13390","665949","Present"
-"2-(1-Adamantylcarbonyl)-N-cyclohexylhydrazinecarbothioamide","","","","","","","","","","","","","","","","","","","","STK664352","","C1CCC(CC1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3","ZOLMGNOMKCVWKK-UHFFFAOYSA-N","3004968",NA,"PDBC13391","665946","Present"
-"2-(1-Adamantylcarbonyl)-N-ethylhydrazinecarbothioamide","","","","","","","","","","","","","","","","","","","","STK023897","","CCNC(=S)NNC(=O)C12CC3CC(C1)CC(C3)C2","KHXAQAGISGDPOA-UHFFFAOYSA-N","3004967",NA,"PDBC13392","665945","Present"
-"2-(1-Amino-2,2,2-trifluoro-1-phenylethyl)-4H-1,3,2-benzodioxaphosphinin-4-one 2-oxide","","","","","","","","","","","","","","","","","","","","2-(1-Amino-2,2,2-trifluoro-1-phenylethyl)-4H-1,3,2-benzodioxaphosphinin-4-one 2-oxide","","C1=CC=C(C=C1)C(C(F)(F)F)(N)P2(=O)OC3=CC=CC=C3C(=O)O2","XANUINOEWNPJKP-UHFFFAOYSA-N","394933",NA,"PDBC13393","699033","Present"
-"2-(1-Anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","2-(1-Anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide","","CC1=C(N(C(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl)NC4=CC=CC=C4)C","HICKHUWRQNHRDE-UHFFFAOYSA-N","54613367",NA,"PDBC13394","751266","Present"
-"2-(1-Anilino-4-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","2-(1-Anilino-4-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide","","CC1=C(N(C(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC)NC4=CC=CC=C4)C5=CC=CC=C5","FLIFJXOZZUOGBH-UHFFFAOYSA-N","60148160",NA,"PDBC13395","753772","Present"
-"2-(1-Aziridinyl)ethyl vinyl sulfone","","","","","","","","","","","","","","","","","","","","2-(1-Aziridinyl)ethyl vinyl sulfone","","C=CS(=O)(=O)CCN1CC1","ZIUDSRXDYJYXLS-UHFFFAOYSA-N","282512",NA,"PDBC13396","136014","Present"
-"2-(1-Benzothien-4-yl)-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","2-(1-Benzothien-4-yl)-4,5-dihydro-1,3-oxazole","","C1COC(=N1)C2=C3C=CSC3=CC=C2","HDCSNPZUIUBFAK-UHFFFAOYSA-N","379587",NA,"PDBC13397","664277","Present"
-"2-(1-Benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)-3-(propan-2-ylideneamino)guanidine","","","","","","","","","","","","","","","","","","","","2-(1-Benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)-3-(propan-2-ylideneamino)guanidine","","CC(=NNC(=NS(=O)(=O)C1=CC2=CC=CC=C2S1)NC3=CC=C(C=C3)Cl)C","SDRVBAGMNWWVCJ-UHFFFAOYSA-N","9572185",NA,"PDBC13398","706453","Present"
-"2-(1-Benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine","","","","","","","","","","","","","","","","","","","","2-(1-Benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine","","C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","SGWAZAYTFBLFIQ-UHFFFAOYSA-N","9572191",NA,"PDBC13399","707034","Present"
-"2-(1-Benzothiophen-3-ylmethyl)-7-methyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(Benzothiophen-3-ylmethyl)-7-methyl-1h-1,8-naphthyridin-4-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)CC3=CSC4=CC=CC=C43","MXKQBRPYBWVGQX-UHFFFAOYSA-N","397853",NA,"PDBC13400","706466","Present"
-"2-(1-Benzoyl-1,2-dihydro-2-quinolinyl)-1-phenylethanone","","","","","","","","","","","","","","","","","","","","2-(1-Benzoyl-1,2-dihydro-2-quinolinyl)-1-phenylethanone","","C1=CC=C(C=C1)C(=O)CC2C=CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4","YEANANYGJKAFAG-UHFFFAOYSA-N","272364",NA,"PDBC13401","116709","Present"
-"2-(1-Benzoyl-2-oxo-2-phenylethyl)-2-hydroxy-1H-indene-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(1-Benzoyl-2-oxo-2-phenylethyl)-2-hydroxy-1H-indene-1,3(2H)-dione","","C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3=O)O","XKDMAXQFOGQBEO-UHFFFAOYSA-N","363395",NA,"PDBC13402","628298","Present"
-"2-(1-Benzyl-3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl)pyrazine","","","","","","","","","","","","","","","","","","","","2-(1-benzyl-3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl)py...","","COC1=CC=CC(=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC4=CC=CC=C4","WQNGRLXEHQLOJB-UHFFFAOYSA-N","375976",NA,"PDBC13403","656342","Present"
-"2-(1-Benzyl-3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl)pyrazine","","","","","","","","","","","","","","","","","","","","2-(1-Benzyl-3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl)pyrazine","","CC1=CC(=CC=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC4=CC=CC=C4","OLUAWZPBTHYHRH-UHFFFAOYSA-N","375974",NA,"PDBC13404","656340","Present"
-"2-(1-Benzylpyridin-1-ium-3-yl)-1H-indole;bromide","","","","","","","","","","","","","","","","","","","","2-(1-Benzylpyridin-1-ium-3-yl)-1H-indole;bromide","","C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C3=CC4=CC=CC=C4N3.[Br-]","DVCMCVJYSKMSLS-UHFFFAOYSA-M","5351982",NA,"PDBC13405","118806","Present"
-"2-(1-Butyl-3-methyl-4-hydroxy-1,2-butadienyl)pyrrolidine-1-carboxylic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-[1-(3-hydroxy-2-methylprop-1-en-1-ylidene)pentyl]pyrrolidine-1-carboxylate","","CCCCC(=C=C(C)CO)C1CCCN1C(=O)OC(C)(C)C","IAPHLBHATWMZAM-UHFFFAOYSA-N","401635",NA,"PDBC13406","715337","Present"
-"2-(1-Cinnamyl-3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine","","","","","","","","","","","","","","","","","","","","2-(1-Cinnamyl-3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine","","C1=CC=C(C=C1)C=CCN2C(=NC(=N2)C3=CC=CC=C3)C4=NC=CN=C4","HZHZUUIYLXEPAL-JXMROGBWSA-N","5812862",NA,"PDBC13407","656343","Present"
-"2-(1-Cyano-1,2,5,6-tetrahydro-3-pyridinyl)-1H-indole","","","","","","","","","","","","","","","","","","","","2-(1-Cyano-1,2,5,6-tetrahydro-3-pyridinyl)-1H-indole","","C1CN(CC(=C1)C2=CC3=CC=CC=C3N2)C#N","RNRBMXLCGSJRAR-UHFFFAOYSA-N","372628",NA,"PDBC13408","648077","Present"
-"2-(1-Cyclopenten-1-yl)-2-dimethylaminoethyl-5-(E)-[(4-chloro) benzylidene] cyclopentanone hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 5-[(4-chlorophenyl)methylene]- 2-(1-cycl...","","CN(C)CCC1(CCC(=CC2=CC=C(C=C2)Cl)C1=O)C3=CCCC3.Cl","CKTXVMBBSIGCBL-INTLEYBYSA-N","6516862",NA,"PDBC13409","639623","Present"
-"2-(1-Ethoxy-1H-indole-3-yl)-3-(1H-indole-3-yl)maleimide","","","","","","","","","","","","","","","","","","","","3-(Indol-3-yl)-4-(1-ethoxy-indol-3-yl)-pyrrole-2,5-dione","","CCON1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54","ADRXEMKBYDKFTQ-UHFFFAOYSA-N","406499",NA,"PDBC13410","724626","Present"
-"2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carbonitrile","","CCC(C(OCC)OC1=C(CCCC1)C#N)[Se]C2=CC=CC=C2","OXDYHZVUZBXYTA-UHFFFAOYSA-N","371751",NA,"PDBC13411","646194","Present"
-"2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carbonitrile","","CCC(C(OCC)OC1=C(CCC1)C#N)[Se]C2=CC=CC=C2","KOIAZWOJLMZVJC-UHFFFAOYSA-N","371750",NA,"PDBC13412","646193","Present"
-"2-(1-Ethoxy-2-(phenylseleno)propoxy)-1-cyclohexene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(1-Ethoxy-2-(phenylseleno)propoxy)-1-cyclohexene-1-carbonitrile","","CCOC(C(C)[Se]C1=CC=CC=C1)OC2=C(CCCC2)C#N","ZDIDBRVXLHNHTB-UHFFFAOYSA-N","371759",NA,"PDBC13413","646202","Present"
-"2-(1-Ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(1-Ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carbonitrile","","CCOC(C(C)[Se]C1=CC=CC=C1)OC2=C(CCC2)C#N","MNNWYHBJQJBBTO-UHFFFAOYSA-N","371746",NA,"PDBC13414","646189","Present"
-"2-(1-Hydroxy-1-methylbutyl)octanal oxime","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-1-methylbutyl)octanal oxime","","CCCCCCC(C=NO)C(C)(CCC)O","FWDMPPJLAFGVPE-SDNWHVSQSA-N","9555815",NA,"PDBC13415","633175","Present"
-"2-(1-Hydroxy-3,4-dioxo-5-methoxy-3,4-dihydronaphthalene-2-yl)-3-methoxy-5-methylbenzoic acid delta-lactone","","","","","","","","","","","","","","","","","","","","1,10-Dimethoxy-8-methylnaphtho[1,2-c]isochromene-6,11,12-trione","","CC1=CC2=C(C(=C1)OC)C3=C(C4=C(C(=CC=C4)OC)C(=O)C3=O)OC2=O","ZFVQJCPYZSPLKM-UHFFFAOYSA-N","401273",NA,"PDBC13416","714528","Present"
-"2-(1-Hydroxy-3-methoxy-4-oxo-1-naphthyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-3-methoxy-4-oxo-1-naphthyl)acetamide","","COC1=CC(C2=CC=CC=C2C1=O)(CC(=O)N)O","NRMAGJAQTXUFRD-UHFFFAOYSA-N","326572",NA,"PDBC13417","298224","Present"
-"2-(1-Hydroxy-4-methylcyclohexyl)-2-phenylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-4-methylcyclohexyl)-2-phenylpropanoic acid","","CC1CCC(CC1)(C(C)(C2=CC=CC=C2)C(=O)O)O","SDZZZXHNQQUDMW-UHFFFAOYSA-N","237710",NA,"PDBC13418","41431","Present"
-"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylpropanamide","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylpropanamide","","CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)N(C)C)O","XFKCMNGWFYLFNW-UHFFFAOYSA-N","360737",NA,"PDBC13419","623076","Present"
-"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-methylpropyl)propanamide","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-methylpropyl)propanamide","","CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)NCC(C)C)O","LSLXPIOSZILQSX-UHFFFAOYSA-N","360735",NA,"PDBC13420","623074","Present"
-"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpropanamide","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpropanamide","","CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)NC)O","WPSYMGHWDCYYQT-UHFFFAOYSA-N","360730",NA,"PDBC13421","623069","Present"
-"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-prop-2-enylpropanamide","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-prop-2-enylpropanamide","","CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)NCC=C)O","DPQGNKKFTGNMBY-UHFFFAOYSA-N","360738",NA,"PDBC13422","623077","Present"
-"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propan-2-ylpropanamide","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propan-2-ylpropanamide","","CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)NC(C)C)O","LCOFFGDUWOVHTJ-UHFFFAOYSA-N","360733",NA,"PDBC13423","623072","Present"
-"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide","","CCCNC(=O)C(C)C1CCC2(C=CC(=O)C(=C2C1O)C)C","YMNILTLTTOXQKX-UHFFFAOYSA-N","360732",NA,"PDBC13424","623071","Present"
-"2-(1-Hydroxycyclopent-2-en-1-yl)-N,N-bis[(4-methoxyphenyl)methyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxycyclopent-2-en-1-yl)-N,N-bis[(4-methoxyphenyl)methyl]acetamide","","COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=O)CC3(CCC=C3)O","GRXIAQVPMHZEAB-UHFFFAOYSA-N","393630",NA,"PDBC13425","695838","Present"
-"2-(1-Hydroxyethyl)thieno[2,3-f][1]benzothiole-4,8-dione","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-(1-hydroxyet...","","CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3)O","HLSTYWBADAGQLR-UHFFFAOYSA-N","388024",NA,"PDBC13426","682449","Present"
-"2-(1-Hydroxypropyl)-4-methyl-2,3-dihydroanthra[1,2-b]furan-6,11-dione","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxypropyl)-4-methyl-2,3-dihydroanthra[1,2-b]furan-6,11-dione","","CCC(C1CC2=C(O1)C3=C(C=C2C)C(=O)C4=CC=CC=C4C3=O)O","XCZPSKZKNPMOFK-UHFFFAOYSA-N","363869",NA,"PDBC13427","629159","Present"
-"2-(1-Methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1-Methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetamide","","CN1C(=O)C2=C(N=CN2)N(C1=O)CC(=O)N","JENDQXGDRZSJDH-UHFFFAOYSA-N","367816",NA,"PDBC13428","637881","Present"
-"2-(1-Methyl-2-oxoindolin-3-ylidene)indolin-3-one","","","","","","","","","","","","","","","","","","","","N-methylindirubin","","CN1C2=CC=CC=C2C(=C1O)C3=NC4=CC=CC=C4C3=O","ZZKJCVBEHCXRSI-UHFFFAOYSA-N","403160",NA,"PDBC13429","717811","Present"
-"2-(1-Methylindol-3-yl)-2,3-dihydro-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","4(1H)-Quinazolinone, 2,3-dihydro-2-(1-methyl-1H-indol-3-...","","CN1C=C(C2=CC=CC=C21)C3NC4=CC=CC=C4C(=O)N3","GQSQKIVHIQRRJM-UHFFFAOYSA-N","334489",NA,"PDBC13430","339877","Present"
-"2-(1-Methylindol-3-yl)-4-(1-methylpyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","1-methyl-3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]...","","CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CN(C5=CC=CC=C54)C","LBOQGNUYJJSSMG-UHFFFAOYSA-N","155812488",NA,"PDBC13431","801587","Present"
-"2-(1-Methylindol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrro...","","CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","JHXBMBMLLCTHTB-UHFFFAOYSA-N","155812479",NA,"PDBC13432","801586","Present"
-"2-(1-Methylnaphthalen-2-yl)pyridine","","","","","","","","","","","","","","","","","","","","2-(1-Methylnaphthalen-2-yl)pyridine","","CC1=C(C=CC2=CC=CC=C12)C3=CC=CC=N3","PQJWHHKWBDMMFZ-UHFFFAOYSA-N","261516",NA,"PDBC13433","93846","Present"
-"2-(1-Naphthyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(1-Naphthyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC6=CC=CC=C65","RPIIXKQGDLCXIA-UHFFFAOYSA-N","364776",NA,"PDBC13434","631535","Present"
-"2-(1-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(1-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one","","CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=CC4=CC=CC=C43)C","OKROBUVTAGQCKV-UHFFFAOYSA-N","5468781",NA,"PDBC13435","676184","Present"
-"2-(1-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(1-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one","","CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC4=CC=CC=C43","DAYKXJRPLWUPRH-UHFFFAOYSA-N","385177",NA,"PDBC13436","676181","Present"
-"2-(1-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(1-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC4=CC=CC=C43","OKZRVQQAEAXGHY-UHFFFAOYSA-N","5468780",NA,"PDBC13437","676183","Present"
-"2-(1-Naphthyl)ethyl 3,4-dihydroxycinnamate","","","","","","","","","","","","","","","","","","","","VFBDUQDKOJTRNI-PKNBQFBNSA-N","","C1=CC=C2C(=C1)C=CC=C2CCOC(=O)C=CC3=CC(=C(C=C3)O)O","VFBDUQDKOJTRNI-PKNBQFBNSA-N","5468519",NA,"PDBC13438","671184","Present"
-"2-(1-Naphthylmethylene)-1-indanone","","","","","","","","","","","","","","","","","","","","AB01099875-03","","C1C2=CC=CC=C2C(=O)C1=CC3=CC=CC4=CC=CC=C43","RQGPJWXDRZLKDH-SFQUDFHCSA-N","1550327",NA,"PDBC13439","665377","Present"
-"2-(1-Naphthylsulfonylsulfanyl)-4,5-dihydro-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(1-Naphthylsulfonylsulfanyl)-4,5-dihydro-1H-imidazole","","C1CN=C(N1)SS(=O)(=O)C2=CC=CC3=CC=CC=C32","NDWQPJGIMYYXAX-UHFFFAOYSA-N","389917",NA,"PDBC13440","686568","Present"
-"2-(1-Oxido-15-oxa-11-aza-1-azoniahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(1-Oxido-15-oxa-11-aza-1-azoniahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl)acetic acid","","C1C[N+]2(CC3=CCOC(C4C3CC2C15C4NC6=CC=CC=C56)CC(=O)O)[O-]","LKMZZBZFIQDLES-UHFFFAOYSA-N","275183",NA,"PDBC13441","121847","Present"
-"2-(1-Oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxo-N-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1,3-Dioxo-4H-1lambda4,4-benzothiazin-2-yl)-2-oxo-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide","","C1=CC=C2C(=C1)NC(=O)C(S2=O)C(=O)C(=O)NC3=NC(=S)NN3","HKGYJZNTRDWZLP-UHFFFAOYSA-N","3004344",NA,"PDBC13442","646818","Present"
-"2-(1-Oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-(1-Oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-phenylacetamide","","C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","YQSBLURPJKRNCP-UHFFFAOYSA-N","366106",NA,"PDBC13443","634393","Present"
-"2-(1-Oxido-4-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(1-Oxido-4-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol","","C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CS3)C4=CC=CC=C4O","NGOLXNTVIRFVBA-UHFFFAOYSA-N","364784",NA,"PDBC13444","631543","Present"
-"2-(1-Phenyl-1,2,4-triazol-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(1-Phenyl-1,2,4-triazol-3-yl)acetamide","","C1=CC=C(C=C1)N2C=NC(=N2)CC(=O)N","OENPFJGNWIQYEE-UHFFFAOYSA-N","387233",NA,"PDBC13445","680808","Present"
-"2-(1-Phenyl-3-(1-pyrrolidinyl)propyl)pyridine","","","","","","","","","","","","","","","","","","","","2-(1-Phenyl-3-(1-pyrrolidinyl)propyl)pyridine","","C1CCN(C1)CCC(C2=CC=CC=C2)C3=CC=CC=N3","RVICOCMXZVHRHL-UHFFFAOYSA-N","238475",NA,"PDBC13446","42824","Present"
-"2-(1-Piperazino)naphthazarin","","","","","","","","","","","","","","","","","","","","2-(1-Piperazino)naphthazarin","","C1CN(CCN1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O","GVVGPDXNUWYFEG-UHFFFAOYSA-N","376949",NA,"PDBC13447","658144","Present"
-"2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl]4,6-dichloropyrimidine","","","","","","","","","","","","","","","","","","","","4,6-Dichloro-5-[2-(3-chlorophenyl)-1-(4-chlorophenyl)ethyl]-2-piperazin-1-ylpyrimidine","","C1CN(CCN1)C2=NC(=C(C(=N2)Cl)C(CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl)Cl","XJNSDCGPKMHVLU-UHFFFAOYSA-N","393584",NA,"PDBC13448","695655","Present"
-"2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-phenylethyl]-4,6-dichloropyrimidine","","","","","","","","","","","","","","","","","","","","2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-phenylethyl]-4,6-dichloropyrimidine","","C1CN(CCN1)C2=NC(=C(C(=N2)Cl)C(CC3=CC=CC=C3)C4=CC=C(C=C4)Cl)Cl","BTPBUQKJMHWWNF-UHFFFAOYSA-N","393583",NA,"PDBC13449","695654","Present"
-"2-(1-Piperazinyl)-N-(3-pyridinylmethyl)ethanamine","","","","","","","","","","","","","","","","","","","","UJUAARGDLUVXPB-UHFFFAOYSA-N","","C1CN(CCN1)CCNCC2=CN=CC=C2","UJUAARGDLUVXPB-UHFFFAOYSA-N","248753",NA,"PDBC13450","66184","Present"
-"2-(1-Piperidinyl)-1-thia-3,9-diaza-9H-fluorene-4-one","","","","","","","","","","","","","","","","","","","","2-Piperidin-1-yl[1,3]thiazino[6,5-b]indol-4(9h)-one","","C1CCN(CC1)C2=NC(=O)C3=C(S2)NC4=CC=CC=C43","OWWCTFOEODFJDM-UHFFFAOYSA-N","405280",NA,"PDBC13451","722433","Present"
-"2-(1-Piperidinyl)-2,8-diazaspiro[4.5]decane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(1-Piperidinyl)-2,8-diazaspiro[4.5]decane-1,3-dione","","C1CCN(CC1)N2C(=O)CC3(C2=O)CCNCC3","NITHFSWJMQEJFA-UHFFFAOYSA-N","380317",NA,"PDBC13452","665796","Present"
-"2-(1-Piperidinyl)-9-(tert-butyloxycarbonyl)-1-thia-3,9-diaza-9H-fluorene-4-one","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-oxo-2-piperidin-1-yl[1,3]thiazino[6,5-b]indole-9(4h)-carboxylate","","CC(C)(C)OC(=O)N1C2=CC=CC=C2C3=C1SC(=NC3=O)N4CCCCC4","GPXOXNKZSKVRAV-UHFFFAOYSA-N","405279",NA,"PDBC13453","722432","Present"
-"2-(1-Piperidyl)-1-[1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","2-(1-Piperidyl)-1-[1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone","","C1CCN(CC1)CC(=O)N2CCC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35","DMHVIMVONPDXEQ-UHFFFAOYSA-N","365595",NA,"PDBC13454","633396","Present"
-"2-(1-Propynyl)estradiol","","","","","","","","","","","","","","","","","","","","2-(1-Propynyl)-3,17.beta.-estradiol","","CC#CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","VFBWVXKSUXUBTB-OKSLILNBSA-N","388008",NA,"PDBC13455","682429","Present"
-"2-(1-Pyrrolidinyl)-2,8-diazaspiro[4.5]decane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(1-Pyrrolidinyl)-2,8-diazaspiro[4.5]decane-1,3-dione","","C1CCN(C1)N2C(=O)CC3(C2=O)CCNCC3","GJOJOYHOPZRSLE-UHFFFAOYSA-N","380346",NA,"PDBC13456","665871","Present"
-"2-(10-Acetyl-10H-phenothiazin-3-yl)-1,1,1,3,3,3-hexafluoro-2-propanol","","","","","","","","","","","","","","","","","","","","2-(10-Acetyl-10H-phenothiazin-3-yl)-1,1,1,3,3,3-hexafluoro-2-propanol","","CC(=O)N1C2=C(C=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)SC3=CC=CC=C31","ZAYHTINHCHFWIJ-UHFFFAOYSA-N","293514",NA,"PDBC13457","160145","Present"
-"2-(10-Heptadecenyl)-6-hydroxybenzoic acid","","","","","","","","","","","","","","","","","","","","Ginkgolic acid C17:1","","CCCCCCC=CCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O","MBYNDKVOZOAOIS-FPLPWBNLSA-N","5469634",NA,"PDBC13458","691034","Present"
-"2-(10-Methyl-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(10-Methyl-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl)acetic acid","","CN1C2=CC=CC=C2NC(C3N1C=CC3)CC(=O)O","NXOVSUNNDDJNNW-UHFFFAOYSA-N","370731",NA,"PDBC13459","644250","Present"
-"2-(10H-Phenothiazin-10-yl)ethanol","","","","","","","","","","","","","","","","","","","","Phenothiazine-10-ethanol","","C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCO","FMENRHNHBUWRMN-UHFFFAOYSA-N","352306",NA,"PDBC13460","525720","Present"
-"2-(10H-Phenothiazin-10-yl)ethyl methylcarbamate","","","","","","","","","","","","","","","","","","","","2-(10H-Phenothiazin-10-yl)ethyl methylcarbamate","","CNC(=O)OCCN1C2=CC=CC=C2SC3=CC=CC=C31","XOFQVAXBLDDAKA-UHFFFAOYSA-N","377569",NA,"PDBC13461","659134","Present"
-"2-(11-Hydroxyundecyl)-2,8,8-trimethylcyclooctanone","","","","","","","","","","","","","","","","","","","","2-(11-Hydroxyundecyl)-2,8,8-trimethylcyclooctanone","","CC1(CCCCCC(C1=O)(C)CCCCCCCCCCCO)C","AVVHASCLAPEHMY-UHFFFAOYSA-N","385904",NA,"PDBC13462","677305","Present"
-"2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethanol","","","","","","","","","","","","","","","","","","","","2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethanol","","C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCO","BKCCPNSLLMMITP-UHFFFAOYSA-N","24205771",NA,"PDBC13463","736606","Present"
-"2-(12-Hydroxydodecyl)-2,12,12-trimethylcyclododecanone","","","","","","","","","","","","","","","","","","","","2-(12-Hydroxydodecyl)-2,12,12-trimethylcyclododecanone","","CC1(CCCCCCCCCC(C1=O)(C)CCCCCCCCCCCCO)C","DDVIVCCZIQBRGI-UHFFFAOYSA-N","385902",NA,"PDBC13464","677303","Present"
-"2-(12-Methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)-N,N-dimethylethanamine","","","","","","","","","","","","","","","","","","","","2-(4-Methoxy-8,10,15,18-tetrazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-1(18),2(7),3,5,9,11(20),12,14(19)-octaen-15-yl)-N,N-dimethylethanamine","","CN(C)CCN1CCN=C2C3=C(C=CC(=C3)OC)N4C=NC5=C4C2=C1C=C5","WXOLZCJGPDYUAH-UHFFFAOYSA-N","377157",NA,"PDBC13465","658359","Present"
-"2-(12-Methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-(12-Methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)ethanol","","COC1=CC2=C(C=C1)N3C=NC4=C3C5=C(C=C4)N(CCN=C25)CCO","HWQBWYFNCCFWGJ-UHFFFAOYSA-N","377156",NA,"PDBC13466","658358","Present"
-"2-(12H-Benzo[a]phenothiazin-12-yl)-N,N-diethylethanamine","","","","","","","","","","","","","","","","","","","","2-(12H-Benzo[a]phenothiazin-12-yl)-N,N-diethylethanamine","","CCN(CC)CCN1C2=CC=CC=C2SC3=C1C4=CC=CC=C4C=C3","VKJJBAOUCOSHBQ-UHFFFAOYSA-N","227337",NA,"PDBC13467","18883","Present"
-"2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)-N,N-dimethylethanamine","","","","","","","","","","","","","","","","","","","","2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)-N,N-dimethylethanamine","","CN(C)CCN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC","MEUZLCAZKOFOFF-UHFFFAOYSA-N","377171",NA,"PDBC13468","658373","Present"
-"2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanol","","COC1=CC2=C3C4=C(C=CC(=C4N=C2C=C1)[N+](=O)[O-])N(CCN3)CCO","VLNDNBAOBAIQOF-UHFFFAOYSA-N","377153",NA,"PDBC13469","658355","Present"
-"2-(14,16-Diphenyl-2,13-diazapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-2,4,6,8,11,14-hexaen-10-ylidene)indene-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(14,16-Diphenyl-2,13-diazapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-2,4,6,8,11,14-hexaen-10-ylidene)indene-1,3-dione","","C1CCC23C(C1)C(C=C(N2C4=CC(=C5C(=O)C6=CC=CC=C6C5=O)C7=CC=CC=C7C4=N3)C8=CC=CC=C8)C9=CC=CC=C9","VZUHURHOGWDWGS-UHFFFAOYSA-N","402131",NA,"PDBC13470","715988","Present"
-"2-(1H-Benzimidazol-2-yl((4-chlorophenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl((4-chlorophenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one","","C1C(=O)N=C(S1)C(C2=NC3=CC=CC=C3N2)N=NC4=CC=C(C=C4)Cl","HMYOJHODMMXPRD-UHFFFAOYSA-N","374384",NA,"PDBC13471","652050","Present"
-"2-(1H-Benzimidazol-2-yl((4-methylphenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl((4-methylphenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one","","CC1=CC=C(C=C1)N=NC(C2=NC3=CC=CC=C3N2)C4=NC(=O)CS4","MOOTYKWSLGHWLW-UHFFFAOYSA-N","374383",NA,"PDBC13472","652049","Present"
-"2-(1H-Benzimidazol-2-yl)-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","IFLab1_005447","","C1=CC=C2C(=C1)NC(=N2)C3=NC4=CC=CC=C4O3","IOKQVGHOQCPQNH-UHFFFAOYSA-N","373877",NA,"PDBC13473","650840","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-(4-chlorobenzoyl)benzohydrazide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-(4-chlorobenzoyl)benzohydrazide","","C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NNC(=O)C4=CC=C(C=C4)Cl","ITFSDODMAVIXNI-UHFFFAOYSA-N","402424",NA,"PDBC13474","716355","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)benzamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)benzamide","","COC1=CC(=C(C=C1)OC)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3","HCPKKLRLBIFHCQ-UHFFFAOYSA-N","402421",NA,"PDBC13475","716352","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,6-dichlorophenyl)benzamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,6-dichlorophenyl)benzamide","","C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NC4=C(C=CC=C4Cl)Cl","HTRMIGAYWUNNDT-UHFFFAOYSA-N","402420",NA,"PDBC13476","716351","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2NC(=O)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NC6=CC=CC=C6N5","LKJHVKWHVKZZHS-ZHZULCJRSA-N","5472124",NA,"PDBC13477","716347","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide","","CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)NC(=O)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NC6=CC=CC=C6N5","ABXXNGNVPYECNJ-QNGOZBTKSA-N","5472125",NA,"PDBC13478","716348","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide","","C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NN=CC4=CC=C(C=C4)Cl","UOIFDDNRANCICK-OXUBWTJQSA-N","9572449",NA,"PDBC13479","716339","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide","","COC1=C(C=CC(=C1)C=NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3)O","DFDWLVMBHSLYFX-OXUBWTJQSA-N","135436257",NA,"PDBC13480","716341","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]benzamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]benzamide","","CCC(=O)NC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3","SOYQFJLSNPZCJD-UHFFFAOYSA-N","402422",NA,"PDBC13481","716353","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide","","C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NN4C(C(C4=O)Cl)C5=CC=C(C=C5)Cl","PPQQKFLWAGERRF-UHFFFAOYSA-N","402412",NA,"PDBC13482","716343","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]benzamide","","CSC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=CC=CC=C5N4)Cl","MZEOSUJBQDYSCH-UHFFFAOYSA-N","402414",NA,"PDBC13483","716345","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]benzamide","","CN(C)C1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=CC=CC=C5N4)Cl","XRPKKOWZHZOYHW-UHFFFAOYSA-N","402413",NA,"PDBC13484","716344","Present"
-"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzohydrazide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzohydrazide","","C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NN","MTURNYINKAJCQZ-UHFFFAOYSA-N","402423",NA,"PDBC13485","716354","Present"
-"2-(1H-Benzimidazol-2-ylamino)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-ylamino)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol","","CC1=C(C(=O)NC(=N1)NC2=NC3=CC=CC=C3N2)CCO","KLIRUXAEXSHDOM-UHFFFAOYSA-N","135409211",NA,"PDBC13486","666288","Present"
-"2-(1H-Benzimidazol-2-ylamino)-5-benzyl-4-hydroxy-1H-pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-ylamino)-5-benzyl-4-hydroxy-1H-pyrimidin-6-one","","C1=CC=C(C=C1)CC2=C(N=C(NC2=O)NC3=NC4=CC=CC=C4N3)O","UUXDVZOIILNGKS-UHFFFAOYSA-N","387153",NA,"PDBC13487","680667","Present"
-"2-(1H-Benzimidazol-2-ylamino)-5-butyl-4-hydroxy-1H-pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","2-(1h-Benzimidazol-2-ylamino)-5-butyl-6-hydroxy-3h-pyrimidin-4-one","","CCCCC1=C(N=C(NC1=O)NC2=NC3=CC=CC=C3N2)O","XTVNRLRLTDZPDD-UHFFFAOYSA-N","397344",NA,"PDBC13488","704954","Present"
-"2-(1H-Benzimidazol-2-ylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-ylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol","","C1CC2=C(C1)N=C(NC2=O)NC3=NC4=CC=CC=C4N3","GAXCVJAPZXGUEB-UHFFFAOYSA-N","135409210",NA,"PDBC13489","666287","Present"
-"2-(1H-Benzimidazol-2-ylmethyl)-1,3-thiazol-4(5H)-one","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-ylmethyl)-1,3-thiazol-4(5H)-one","","C1C(=O)N=C(S1)CC2=NC3=CC=CC=C3N2","IJSXLHIMKVVISB-UHFFFAOYSA-N","365514",NA,"PDBC13490","633194","Present"
-"2-(1H-Benzimidazol-2-ylsulfanyl)-N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(1H-Benzimidazol-2-ylsulfanyl)-N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]acetamide","","C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=C(C=C3)C4=NC5=CC=CC=C5S4)Cl","LSNDZZLBLKNDEI-UHFFFAOYSA-N","54613168",NA,"PDBC13491","750842","Present"
-"2-(1H-Benzoimidazol-2-ylamino)-6-hydroxy-5-phenyl-3H-pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-(1H-Benzoimidazol-2-ylamino)-6-hydroxy-5-phenyl-3H-pyrimidin-4-one","","C1=CC=C(C=C1)C2=C(N=C(NC2=O)NC3=NC4=CC=CC=C4N3)O","MPKAHQSTFDCVAM-UHFFFAOYSA-N","380611",NA,"PDBC13492","666286","Present"
-"2-(1H-Imidazol-2-ylmethyl)-5-(1H-imidazol-5-ylmethyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(1H-imidazol-2-ylmethyl)-4-(1H-imidazol-4-ylmethyl)-1H...","","C1=CN=C(N1)CC2=NC=C(N2)CC3=CN=CN3","STVWNEVGTHFIJG-UHFFFAOYSA-N","370230",NA,"PDBC13493","643000","Present"
-"2-(1H-Indol-1-yl)-1-(1H-indol-3-yl)-2-oxoethanone","","","","","","","","","","","","","","","","","","","","2-(1H-Indol-1-yl)-1-(1H-indol-3-yl)-2-oxoethanone","","C1=CC=C2C(=C1)C=CN2C(=O)C(=O)C3=CNC4=CC=CC=C43","JGNTXIBLSQHKDW-UHFFFAOYSA-N","378606",NA,"PDBC13494","661246","Present"
-"2-(1H-Indol-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(1H-Indol-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC=CC=C1N2C(SCC2=O)C3=CNC4=CC=CC=C43","HMJDMMKJDLVKPP-UHFFFAOYSA-N","375560",NA,"PDBC13495","655348","Present"
-"2-(1H-Indol-3-yl)-3-(2-nitrophenyl)thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(1H-Indol-3-yl)-3-(2-nitrophenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=CC=CC=C4[N+](=O)[O-]","JNKVBTPMMLACOG-UHFFFAOYSA-N","375563",NA,"PDBC13496","655351","Present"
-"2-(1H-Indol-3-yl)-3-(3-methoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(1H-Indol-3-yl)-3-(3-methoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC=CC(=C1)N2C(SCC2=O)C3=CNC4=CC=CC=C43","GZYJMFQJMTXZEY-UHFFFAOYSA-N","375561",NA,"PDBC13497","655349","Present"
-"2-(1H-Indol-3-yl)-3-(3-nitrophenyl)thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(1H-Indol-3-yl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-]","HPHIAJHRALEFTL-UHFFFAOYSA-N","375564",NA,"PDBC13498","655352","Present"
-"2-(1H-Indol-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(1H-Indol-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC=C(C=C1)N2C(SCC2=O)C3=CNC4=CC=CC=C43","VDNPCNOBJHJIAX-UHFFFAOYSA-N","375562",NA,"PDBC13499","655350","Present"
-"2-(1H-Indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol","","","","","","","","","","","","","","","","","","","","2-(1H-Indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol","","CC1(CC(=CC2=NC3=CC=CC=C3C21O)C4=CNC5=CC=CC=C54)C","ZJSCSYPLASWQES-UHFFFAOYSA-N","362912",NA,"PDBC13500","627387","Present"
-"2-(1H-Indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[3,2-c]...","","C1=CC=C2C(=C1)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","RPLHIBNNBAPKAW-UHFFFAOYSA-N","155810932",NA,"PDBC13501","801584","Present"
-"2-(1H-Indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","2-(1H-Indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole","","COC1=CC2=C(C=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=CC=CC=C54","RLPBSUWTWVVFHI-UHFFFAOYSA-N","397548",NA,"PDBC13502","705868","Present"
-"2-(1H-Indol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-[6-(thiophen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl...","","C1=CC=C2C(=C1)C(=CN2)C3=NN4C=C(N=C4S3)C5=CC=CS5","XZUQRQUVHLEGRF-UHFFFAOYSA-N","155806219",NA,"PDBC13503","801605","Present"
-"2-(1H-Indol-3-yl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(1H-indol-3-yl)-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)CC4=CNC5=CC=CC=C54","DRTLIBIRMGIUCE-MGBUXPJDSA-N","118245694",NA,"PDBC13504","783239","Present"
-"2-(1H-Indole-3-yl)-3-phenylmaleimide","","","","","","","","","","","","","","","","","","","","NSC767208","","C1=CC=C(C=C1)C2=C(C(=O)NC2=O)C3=CNC4=CC=CC=C43","HVQJGNALTWNDMX-UHFFFAOYSA-N","15422868",NA,"PDBC13505","767208","Present"
-"2-(1H-Indole-3-yl)-4-(6-bromo-1H-indole-3-yl)thiazole","","","","","","","","","","","","","","","","","","","","4-(6-bromo-1H-indol-3-yl)-2-(1H-indol-3-yl)thiazole","","C1=CC=C2C(=C1)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=CC(=C5)Br","XFJMHWPYNSHESR-UHFFFAOYSA-N","396209",NA,"PDBC13506","701761","Present"
-"2-(1H-Purin-6-ylamino)ethanol","","","","","","","","","","","","","","","","","","","","9AD2B660I3","","C1=NC2=C(N1)C(=NC=N2)NCCO","QFSMBOBIZVSDLV-UHFFFAOYSA-N","20684",NA,"PDBC13507","11590","Present"
-"2-(1H-Pyrazol-1-yl)-1,4-benzenediol","","","","","","","","","","","","","","","","","","","","2-(1H-Pyrazol-1-yl)-1,4-benzenediol","","C1=CN(N=C1)C2=C(C=CC(=C2)O)O","RZPZTDUSASFJRF-UHFFFAOYSA-N","371596",NA,"PDBC13508","645990","Present"
-"2-(1H-[1]Benzothieno[2,3-d]imidazol-1-yl)-N,N-dimethylethanamine","","","","","","","","","","","","","","","","","","","","2-(1H-[1]Benzothieno[2,3-d]imidazol-1-yl)-N,N-dimethylethanamine","","CN(C)CCN1C=NC2=C1C3=CC=CC=C3S2","BHWUXLNSSKNOPO-UHFFFAOYSA-N","370118",NA,"PDBC13509","642709","Present"
-"2-(1H-indol-3-yl)ethyl-bis(p-anisyl)amine","","","","","","","","","","","","","","","","","","","","2-(1H-indol-3-yl)ethyl-bis(p-anisyl)amine","","COC1=CC=C(C=C1)CN(CCC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)OC","WJVMMRROWJDULS-UHFFFAOYSA-N","394104",NA,"PDBC13510","697241","Present"
-"2-(2',3'-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)-thiazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-(2',3'-Dideoxy-.beta.-D-glycero-pent-2-enofuranosyl)-t...","","C1=CC(OC1CO)C2=NC(=CS2)C(=O)N","HAUJIUYEOGTBMH-UHFFFAOYSA-N","363831",NA,"PDBC13511","629049","Present"
-"2-(2',4',5'-Trihydroxyphenyl)-3,5,7-trihydroxy-6-C-glucopyranosyloxy-4H-1-benzopyran-4-one","","","","","","","","","","","","","","","","","","","","2-(2',4',5'-Trihydroxyphenyl)-3,5,7-trihydroxy-6-C-gluco...","","C1=C(C(=CC(=C1O)O)O)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O","YHQOEBIHPWOMKE-UHFFFAOYSA-N","5470006",NA,"PDBC13512","695597","Present"
-"2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine","","","","","","","","","","","","","","","","","","","","2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine","","C1=CC2=NSN=C2C(=C1)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","AGPHTKYBSWZMMQ-UHFFFAOYSA-N","9572193",NA,"PDBC13513","707036","Present"
-"2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)guanidine","","C1=CC2=NSN=C2C(=C1)S(=O)(=O)N=C(N)NC3=CC=C(C=C3)Cl","FXJWHAYOWPXRAU-UHFFFAOYSA-N","9572213",NA,"PDBC13514","707404","Present"
-"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-3,4-dihydro-1(2H)-naphthalenone","","","","","","","","","","","","","","","","","","","","2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-3,4-dihydro-1(2H)-naphthalenone","","C1CC2=CC=CC=C2C(=O)C1C(C(F)(F)F)(C(F)(F)F)O","SUPUNQIGTWFZBO-UHFFFAOYSA-N","379444",NA,"PDBC13515","663992","Present"
-"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclopentanone","","","","","","","","","","","","","","","","","","","","2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclopentanone","","C1CC(C(=O)C1)C(C(F)(F)F)(C(F)(F)F)O","WDPFJWBJPKXWDD-UHFFFAOYSA-N","379518",NA,"PDBC13516","664176","Present"
-"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)heptanal hydrazone","","","","","","","","","","","","","","","","","","","","2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)heptanal hydrazone","","CCCCCC(C=NN)C(C(F)(F)F)(C(F)(F)F)O","WAESTWWBMWLUAV-NGYBGAFCSA-N","9555942",NA,"PDBC13517","659216","Present"
-"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)heptanal phenylhydrazone","","","","","","","","","","","","","","","","","","","","2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)heptanal phenylhydrazone","","CCCCCC(C=NNC1=CC=CC=C1)C(C(F)(F)F)(C(F)(F)F)O","BITMRBQVPNOJGA-FOKLQQMPSA-N","9571444",NA,"PDBC13518","664335","Present"
-"2-(2,2,2-Trifluoroethoxy)-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide","","","","","","","","","","","","","","","","","","","","2-(2,2,2-Trifluoroethoxy)-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide","","C1=CC=C2C(=C1)C(=O)C(OP(=O)(O2)OCC(F)(F)F)(C(F)(F)F)C(F)(F)F","DHHJASLDCULVPB-UHFFFAOYSA-N","374925",NA,"PDBC13519","653510","Present"
-"2-(2,2,6,6-Tetramethyl-4-piperidyl)-4,5-dihydrooxazole","","","","","","","","","","","","","","","","","","","","2-(2,2,6,6-Tetramethyl-4-piperidyl)-4,5-dihydrooxazole","","CC1(CC(CC(N1)(C)C)C2=NCCO2)C","SDLOMDKOIQRKDS-UHFFFAOYSA-N","380203",NA,"PDBC13520","665670","Present"
-"2-(2,2-Di(1H-indol-3-yl)ethyl)-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","2-(2,2-Di(1H-indol-3-yl)ethyl)-N,N-dimethylaniline","","CN(C)C1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","OFALCFCSOABDDU-UHFFFAOYSA-N","364674",NA,"PDBC13521","631307","Present"
-"2-(2,2-Dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(2,2-Dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid","","","","",NA,"PDBC13522","628570","Present"
-"2-(2,2-Dibutyl-1,3,2-dioxastanninan-5-yl)pyridine","","","","","","","","","","","","","","","","","","","","2-(2,2-Dibutyl-1,3,2-dioxastanninan-5-yl)pyridine","","CCCC[Sn]1(OCC(CO1)C2=CC=CC=N2)CCCC","KVBXIPIFNYDYIO-UHFFFAOYSA-N","16683170",NA,"PDBC13523","633504","Present"
-"2-(2,2-Dibutyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2,2-Dibutyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide","","","","",NA,"PDBC13524","628568","Present"
-"2-(2,2-Dibutyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(2,2-Dibutyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol","","","","",NA,"PDBC13525","628577","Present"
-"2-(2,2-Dibutyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(2,2-Dibutyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid","","","","",NA,"PDBC13526","628574","Present"
-"2-(2,2-Diethoxyethylselanyl)-1,1-diethoxy-ethane","","","","","","","","","","","","","","","","","","","","Ethane, 2,2'-selenobis[1,1-diethoxy-","","CCOC(C[Se]CC(OCC)OCC)OCC","SFSJOFBVBORGMJ-UHFFFAOYSA-N","379613",NA,"PDBC13527","664319","Present"
-"2-(2,2-Dimethoxyethyl)-N-(2-iodophenyl)-4-((triisopropylsilyl)oxy)-2-butenamide","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethoxyethyl)-N-(2-iodophenyl)-4-((triisopropylsilyl)oxy)-2-butenamide","","CC(C)[Si](C(C)C)(C(C)C)OCC=C(CC(OC)OC)C(=O)NC1=CC=CC=C1I","UODVZPJYNFTMQO-UYRXBGFRSA-N","5469952",NA,"PDBC13528","694684","Present"
-"2-(2,2-Dimethyl-3-phenylpropyl)-1,4-benzenediol","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethyl-3-phenylpropyl)-1,4-benzenediol","","CC(C)(CC1=CC=CC=C1)CC2=C(C=CC(=C2)O)O","RGMYHDLDEJKZFA-UHFFFAOYSA-N","384081",NA,"PDBC13529","673303","Present"
-"2-(2,2-Dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)prop-2-enenitrile","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)prop-2-enenitrile","","CC1(OC2COC(C2O1)C(=C)C#N)C","CDJJMLMUSYDRQL-UHFFFAOYSA-N","357388",NA,"PDBC13530","616138","Present"
-"2-(2,2-Dimethyl-4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)-N-(3-(hydroxy(oxido)amino)phenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethyl-4-oxo-3,10-dihydro-1H-phenothiazin-3-yl)-N-(3-nitrophenyl)-2-oxoacetamide","","CC1(CC2=C(C(=O)C1C(=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])SC4=CC=CC=C4N2)C","UAYKZFUJHZESKQ-UHFFFAOYSA-N","373362",NA,"PDBC13531","649577","Present"
-"2-(2,2-Dimethyl-4-oxo-3,5a,9a,10-tetrahydro-1H-phenothiazin-3-yl)-2-oxo-acetamide","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethyl-4-oxo-3,5a,9a,10-tetrahydro-1H-phenothiazin-3-yl)-2-oxo-acetamide","","CC1(CC2=C(C(=O)C1C(=O)C(=O)N)SC3C=CC=CC3N2)C","KHDAVCNMONWVAD-UHFFFAOYSA-N","373460",NA,"PDBC13532","649817","Present"
-"2-(2,2-Dimethyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol","","","","",NA,"PDBC13533","628579","Present"
-"2-(2,2-Dimethylpropanoyl)-2,3-dihydro-1,4-naphthalenedione","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethylpropanoyl)-2,3-dihydro-1,4-naphthalenedione","","CC(C)(C)C(=O)C1CC(=O)C2=CC=CC=C2C1=O","COUKTGFAMVFIAX-UHFFFAOYSA-N","367466",NA,"PDBC13534","637195","Present"
-"2-(2,2-Dimethylpropanoyl)-4,4-dimethyl-3-oxopentanenitrile","","","","","","","","","","","","","","","","","","","","2-(2,2-Dimethylpropanoyl)-4,4-dimethyl-3-oxopentanenitrile","","CC(C)(C)C(=O)C(C#N)C(=O)C(C)(C)C","ZYZNSVWOHMGKJP-UHFFFAOYSA-N","389075",NA,"PDBC13535","684725","Present"
-"2-(2,2-Dimethylpropyl)benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-Neopentyl-1,4-benzenediol","","CC(C)(C)CC1=C(C=CC(=C1)O)O","IZRKOTZTHHSHEF-UHFFFAOYSA-N","384080",NA,"PDBC13536","673302","Present"
-"2-(2,2-Dioctyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2,2-Dioctyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide","","","","",NA,"PDBC13537","628569","Present"
-"2-(2,2-Dioctyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(2,2-Dioctyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid","","","","",NA,"PDBC13538","628575","Present"
-"2-(2,2-Diphenyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(2,2-Diphenyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol","","","","",NA,"PDBC13539","628578","Present"
-"2-(2,2-Ditert-butyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(2,2-Ditert-butyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol","","","","",NA,"PDBC13540","628565","Present"
-"2-(2,3,3-Trichloro-1-nitro-allylidene)-imidazolidine","","","","","","","","","","","","","","","","","","","","C6H6Cl3N3O2","","C1CNC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1","AFZQRVIAXVGDLI-UHFFFAOYSA-N","379915",NA,"PDBC13541","665107","Present"
-"2-(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethoxycarbonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethoxycarbonyl)benzoic acid","","C1CCN2CCCC(C2C1)COC(=O)C3=CC=CC=C3C(=O)O","NNMQFPYZEFVSFA-UHFFFAOYSA-N","390682",NA,"PDBC13542","688317","Present"
-"2-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)benzoic acid","","C1CC(C2=C(C1)C3=CC=CC=C3N2)C4=CC=CC=C4C(=O)O","ZRWUYGOGEWMYLT-UHFFFAOYSA-N","396624",NA,"PDBC13543","703123","Present"
-"2-(2,3,4-Trimethoxyphenyl)-2-azaspiro[4.5]decane-1,3,4-trione","","","","","","","","","","","","","","","","","","","","2-(2,3,4-Trimethoxyphenyl)-2-azaspiro[4.5]decane-1,3,4-trione","","COC1=C(C(=C(C=C1)N2C(=O)C(=O)C3(C2=O)CCCCC3)OC)OC","YUEVBOGLUBDFFN-UHFFFAOYSA-N","379432",NA,"PDBC13544","663977","Present"
-"2-(2,3,5-Trimethoxyphenyl)ethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC53069","","COC1=CC(=C(C(=C1)OC)OC)CCN.Cl","IYWGZRLKHDWUAC-UHFFFAOYSA-N","54601428",NA,"PDBC13545","53069","Present"
-"2-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1,3-propanediol","","","","","","","","","","","","","","","","","","","","2-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1,3-propanediol","","C1C(OC2=CC=CC=C2O1)CC(CO)CO","LFRZXMPZJAYFCG-UHFFFAOYSA-N","379216",NA,"PDBC13546","663632","Present"
-"2-(2,3-Dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-(2,3-Dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide","","C1CC2=CC=CC=C2C1SCC(=O)NN=CC3=CC=CC=C3O","RCABVSNSNNHAIS-YBFXNURJSA-N","135452596",NA,"PDBC13547","329063","Present"
-"2-(2,3-Dihydro-1H-inden-2-ylmethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(2,3-Dihydro-1H-inden-2-ylmethyl)benzoic acid","","C1C(CC2=CC=CC=C21)CC3=CC=CC=C3C(=O)O","MRAPTYHAGZHFFH-UHFFFAOYSA-N","385699",NA,"PDBC13548","677045","Present"
-"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(2,3-Dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylic acid","","C1CC2=C(C1)C=C(C=C2)CC3(CC4=C(C3)C=C5CCCC5=C4)C(=O)O","GXPYKOVBSSZAEE-UHFFFAOYSA-N","384722",NA,"PDBC13549","674958","Present"
-"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-2-indanecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-(2,3-Dihydro-1H-inden-5-ylmethyl)-2-indanecarboxylic acid","","C1CC2=C(C1)C=C(C=C2)CC3(CC4=CC=CC=C4C3)C(=O)O","DLISNRZGIRQDLU-UHFFFAOYSA-N","384733",NA,"PDBC13550","674968","Present"
-"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one","","","","","","","","","","","","","","","","","","","","2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one","","C1CC2=C(C1)C=C(C=C2)CC3CC4=C(C3=O)C=C5CCCC5=C4","FYJNCYGUILDRIW-UHFFFAOYSA-N","384707",NA,"PDBC13551","674943","Present"
-"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,6,7,8-tetrahydro-as-indacen-1(2H)-one","","","","","","","","","","","","","","","","","","","","2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,6,7,8-tetrahydro-as-indacen-1(2H)-one","","C1CC2=C(C1)C=C(C=C2)CC3CC4=C(C3=O)C5=C(CCC5)C=C4","VYQUWDRIXTYVHL-UHFFFAOYSA-N","384708",NA,"PDBC13552","674944","Present"
-"2-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diol","","C1CSC2=NC(=CN21)C3=C(C=CC(=C3)O)O","CBEZIIZBJCVGML-UHFFFAOYSA-N","10585764",NA,"PDBC13553","732197","Present"
-"2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophene-3,4-diamine","","","","","","","","","","","","","","","","","","","","2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophene-3,4-diamine","","C1COC2=C(SC=C2O1)C3=C(C(=CS3)N)N","QUAHCXUSSSJFMY-UHFFFAOYSA-N","400562",NA,"PDBC13554","712684","Present"
-"2-(2,3-Dihydroxyphenoxy)-1,3,5-benzenetriol","","","","","","","","","","","","","","","","","","","","2-(2,3-Dihydroxyphenoxy)-1,3,5-benzenetriol","","C1=CC(=C(C(=C1)OC2=C(C=C(C=C2O)O)O)O)O","OENHXUYXLFGBFT-UHFFFAOYSA-N","364695",NA,"PDBC13555","631347","Present"
-"2-(2,3-Dimethoxy-12-oxoindolo[2,1-b]quinazolin-6-ylidene)propanedinitrile","","","","","","","","","","","","","","","","","","","","2-(2,3-Dimethoxy-12-oxo-indolo[2,1-b]quinazolin-6-ylidene)propanedinitrile","","COC1=C(C=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=C(C#N)C#N)C3=N2)OC","ULDFXZSGYYPORJ-UHFFFAOYSA-N","396707",NA,"PDBC13556","703316","Present"
-"2-(2,3-Dimethoxyphenoxy)-1,3,5-trimethoxybenzene","","","","","","","","","","","","","","","","","","","","2-(2,3-Dimethoxyphenoxy)-1,3,5-trimethoxybenzene","","COC1=C(C(=CC=C1)OC2=C(C=C(C=C2OC)OC)OC)OC","QYEODDZVANSHEM-UHFFFAOYSA-N","364696",NA,"PDBC13557","631348","Present"
-"2-(2,3-Dimethoxyphenyl)-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","ZJESQUBQQBRCGG-UHFFFAOYSA-N","","COC1=CC=CC(=C1OC)C2=NC3=CC=CC=C3C(=O)N2","ZJESQUBQQBRCGG-UHFFFAOYSA-N","135489849",NA,"PDBC13558","684365","Present"
-"2-(2,3-Dimethoxyphenyl)-4-isopropyl-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","2-(2,3-Dimethoxyphenyl)-4-isopropyl-4,5-dihydro-1,3-oxazole","","CC(C)C1COC(=N1)C2=C(C(=CC=C2)OC)OC","VXGZYVDYWWIWLL-UHFFFAOYSA-N","370743",NA,"PDBC13559","644266","Present"
-"2-(2,4,6-Tribromophenoxy)acetamide","","","","","","","","","","","","","","","","","","","","2-(2,4,6-Tribromophenoxy)acetamide","","C1=C(C=C(C(=C1Br)OCC(=O)N)Br)Br","ZDDUMWPZCUGDOR-UHFFFAOYSA-N","372835",NA,"PDBC13560","648493","Present"
-"2-(2,4-Bis(methoxymethoxy)phenyl)-1-(2-hydroxy-4-(methoxymethoxy)phenyl)-1-propanone","","","","","","","","","","","","","","","","","","","","2-(2,4-Bis(methoxymethoxy)phenyl)-1-(2-hydroxy-4-(methoxymethoxy)phenyl)-1-propanone","","CC(C1=C(C=C(C=C1)OCOC)OCOC)C(=O)C2=C(C=C(C=C2)OCOC)O","APSQNWVYLGEZDE-UHFFFAOYSA-N","377464",NA,"PDBC13561","658921","Present"
-"2-(2,4-Dibromophenoxy)-N,N-diethylacetamide","","","","","","","","","","","","","","","","","","","","2-(2,4-Dibromophenoxy)-N,N-diethylacetamide","","CCN(CC)C(=O)COC1=C(C=C(C=C1)Br)Br","SHKUAQWZPCXCBP-UHFFFAOYSA-N","360020",NA,"PDBC13562","621756","Present"
-"2-(2,4-Dibromophenoxy)-N-ethylacetamide","","","","","","","","","","","","","","","","","","","","2-(2,4-Dibromophenoxy)-N-ethylacetamide","","CCNC(=O)COC1=C(C=C(C=C1)Br)Br","AOWQNZIOCXXYKZ-UHFFFAOYSA-N","360019",NA,"PDBC13563","621755","Present"
-"2-(2,4-Dibromophenoxy)acetamide","","","","","","","","","","","","","","","","","","","","ARONIS002569","","C1=CC(=C(C=C1Br)Br)OCC(=O)N","FYPOAWJNUWQTCA-UHFFFAOYSA-N","360014",NA,"PDBC13564","621750","Present"
-"2-(2,4-Dichloroanilino)-N'-(4-fluorophenyl)sulfonyl nicotino hydrazide","","","","","","","","","","","","","","","","","","","","2-(2,4-dichloroanilino)-N'-(4-fluorophenyl)sulfonyl nico...","","C1=CC(=C(N=C1)NC2=C(C=C(C=C2)Cl)Cl)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)F","XKMWCAVMZVIBGK-UHFFFAOYSA-N","24205765",NA,"PDBC13565","736599","Present"
-"2-(2,4-Dichloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[(2,4-Dichlorophenyl)amino]-N-(4-oxo-2-phenylquinazoli...","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=C(C=C(C=C4)Cl)Cl","LLUBWJPQTYMTBM-UHFFFAOYSA-N","376438",NA,"PDBC13566","657352","Present"
-"2-(2,4-Dichlorobenzoyl)-7-hydroxy-chromen-4-one","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorobenzoyl)-7-hydroxy-chromen-4-one","","C1=CC2=C(C=C1O)OC(=CC2=O)C(=O)C3=C(C=C(C=C3)Cl)Cl","CANJQZFRAWCZJH-UHFFFAOYSA-N","5465338",NA,"PDBC13567","646381","Present"
-"2-(2,4-Dichlorobenzyl)-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorobenzyl)-1,3-benzothiazole","","C1=CC=C2C(=C1)N=C(S2)CC3=C(C=C(C=C3)Cl)Cl","HFLUGKGRRIVSGJ-UHFFFAOYSA-N","364786",NA,"PDBC13568","631545","Present"
-"2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carbonitrile","","CC1=CC2=C(N(N=C2C(=C1C)C#N)CC3=C(C=C(C=C3)Cl)Cl)C","MZZVYCIUYSJEMS-UHFFFAOYSA-N","367590",NA,"PDBC13569","637422","Present"
-"2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carboxylic acid","","CC1=CC2=C(N(N=C2C(=C1C)C(=O)O)CC3=C(C=C(C=C3)Cl)Cl)C","MLULTROHKBGYNK-UHFFFAOYSA-N","367592",NA,"PDBC13570","637424","Present"
-"2-(2,4-Dichlorobenzyl)glutarimide","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorobenzyl)glutarimide","","C1CC(=O)NC(=O)C1CC2=C(C=C(C=C2)Cl)Cl","MOXJZUBVRXNENV-UHFFFAOYSA-N","356409",NA,"PDBC13571","612071","Present"
-"2-(2,4-Dichlorophenoxy)-N-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorophenoxy)-N-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)propanamide","","CC(C(=O)NN1C(=O)CC(=O)NC1=S)OC2=C(C=C(C=C2)Cl)Cl","HMTGSMRLXBSDSV-UHFFFAOYSA-N","5470730",NA,"PDBC13572","704802","Present"
-"2-(2,4-Dichlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide","","CC(C(=O)NN1C(=O)CC(=O)N(C1=S)C2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl","CFEFNWUCQQUWEK-UHFFFAOYSA-N","397268",NA,"PDBC13573","704796","Present"
-"2-(2,4-Dichlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide","","CC(C(=O)NN1C(SCC1=O)C2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl","DEFIUIMCPXKHQD-UHFFFAOYSA-N","397260",NA,"PDBC13574","704788","Present"
-"2-(2,4-Dichlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide","","CC(C(=O)NN1C(SCC1=O)C2=CC=C(C=C2)OC)OC3=C(C=C(C=C3)Cl)Cl","PILBBIDXODAQND-UHFFFAOYSA-N","397261",NA,"PDBC13575","704789","Present"
-"2-(2,4-Dichlorophenoxy)-N-ethylacetamide","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorophenoxy)-N-ethylacetamide","","CCNC(=O)COC1=C(C=C(C=C1)Cl)Cl","WSSDNRHQSUZZFN-UHFFFAOYSA-N","360012",NA,"PDBC13576","621748","Present"
-"2-(2,4-Dichlorophenoxy)benzo[f][1,3,2]benzodioxaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorophenoxy)benzo[f][1,3,2]benzodioxaphosphole 2-oxide","","C1=CC=C2C=C3C(=CC2=C1)OP(=O)(O3)OC4=C(C=C(C=C4)Cl)Cl","VBRVCONQQWHIKQ-UHFFFAOYSA-N","360397",NA,"PDBC13577","622462","Present"
-"2-(2,4-Dichlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(2,4-Dichlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=C(C=C(C=C3)Cl)Cl","FQCMFLQFGWYIGL-UHFFFAOYSA-N","362318",NA,"PDBC13578","625954","Present"
-"2-(2,4-Dichlorophenyl)-N,N-dimethylethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC639397","","CN(C)CCC1=C(C=C(C=C1)Cl)Cl.Cl","LQOWQGPPVZLJBS-UHFFFAOYSA-N","368402",NA,"PDBC13579","639397","Present"
-"2-(2,4-Dichlorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine","","","","","","","","","","","","","","","","","","","","N4-(2-furylmethyl)-2-(2,4-dichlorophenyl)-4-quinazolinam...","","C1=CC=C2C(=C1)C(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)NCC4=CC=CO4","SYISKIXHFXNTKX-UHFFFAOYSA-N","1186904",NA,"PDBC13580","727897","Present"
-"2-(2,4-Difluorophenyl)-2,3-di(1H-1,2,4-triazol-1-yl)-1-propanol","","","","","","","","","","","","","","","","","","","","2-(2,4-Difluorophenyl)-2,3-di(1H-1,2,4-triazol-1-yl)-1-propanol","","C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CO)N3C=NC=N3","XPMKAGSLKYBDTO-UHFFFAOYSA-N","380168",NA,"PDBC13581","665606","Present"
-"2-(2,4-Dimethoxyphenyl)-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","GLBLQJORMCSORH-UHFFFAOYSA-N","","COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2)OC","GLBLQJORMCSORH-UHFFFAOYSA-N","135484662",NA,"PDBC13582","684366","Present"
-"2-(2,4-Dimethoxyphenyl)-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-(2,4-Dimethoxyphenyl)quinolin-4(1H)-one","","COC1=CC(=C(C=C1)C2=CC(=O)C3=CC=CC=C3N2)OC","QWXAGJWYDYRTSP-UHFFFAOYSA-N","375361",NA,"PDBC13583","654985","Present"
-"2-(2,4-Dimethoxyphenyl)-6-methyl-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","2-(2,4-Dimethoxyphenyl)-6-methyl-1,3-benzoxazole","","CC1=CC2=C(C=C1)N=C(O2)C3=C(C=C(C=C3)OC)OC","QZRDPKKWEHNWFZ-UHFFFAOYSA-N","399832",NA,"PDBC13584","710968","Present"
-"2-(2,4-Dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)nicotinamide","","","","","","","","","","","","","","","","","","","","2-(2,4-dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-...","","COC1=CC(=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CN(N=N3)CC4=CC(=CC=C4)OC5=CC=CC=C5)OC","IDHWRMSNKVNNPH-UHFFFAOYSA-N","90681003",NA,"PDBC13585","758370","Present"
-"2-(2,4-Dimethylanilino)benzo[f][1,3]benzothiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(2,4-Dimethylanilino)benzo[f][1,3]benzothiazole-4,9-dione","","CC1=CC(=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O)C","LYWOAEKZOHLZQE-UHFFFAOYSA-N","362271",NA,"PDBC13586","625882","Present"
-"2-(2,4-Dimethylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one","","","","","","","","","","","","","","","","","","","","4(1H)-Quinazolinone, 2-(2,4-dimethylphenyl)-2,3-dihydro-","","CC1=CC(=C(C=C1)C2NC3=CC=CC=C3C(=O)N2)C","FVVLOAVPINWXMY-UHFFFAOYSA-N","292555",NA,"PDBC13587","158382","Present"
-"2-(2,4-Dinitroanilino)-3-hydroxy-2-methylpropanoic acid","","","","","","","","","","","","","","","","","","","","SC-60692","","CC(CO)(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","NLIQVESFXLKBRF-UHFFFAOYSA-N","262559",NA,"PDBC13588","96399","Present"
-"2-(2,4-Dinitrophenyl)isoquinolinium chloride","","","","","","","","","","","","","","","","","","","","2-(2,4-dinitrophenyl)isoquinolinium chloride","","C1=CC=C2C=[N+](C=CC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]","XKODWENIEJBEMB-UHFFFAOYSA-M","10735291",NA,"PDBC13589","338048","Present"
-"2-(2,4-Dinitrophenylthio)-6-methylpyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","6-Methyl-2-[(2,4-dinitrophenyl)thio]-4-(1H)-pyrimidinone","","CC1=CC(=O)NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","MQRSKNRMJCUQTI-UHFFFAOYSA-N","135454603",NA,"PDBC13590","697716","Present"
-"2-(2,5-Bis(4-methoxyphenyl)-4-(2-pyridinyl)-1H-pyrrol-3-yl)pyridine","","","","","","","","","","","","","","","","","","","","2-(2,5-Bis(4-methoxyphenyl)-4-(2-pyridinyl)-1H-pyrrol-3-yl)pyridine","","COC1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=C(C=C3)OC)C4=CC=CC=N4)C5=CC=CC=N5","WNLPGHXMHVQKKA-UHFFFAOYSA-N","380633",NA,"PDBC13591","666308","Present"
-"2-(2,5-Dichloro-phenyl)-5-(4'-methoxy phenyl)-1H-[1,8] naphthyridine-4-one.","","","","","","","","","","","","","","","","","","","","2-(2,4-dichloro - 5- fluoro - phenyl ) - 7 - (2,5 - dich...","","COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)C=C(N3)C4=CC(=C(C=C4Cl)Cl)F)C5=C(C=CC(=C5)Cl)Cl","NXHFWUMZCCJNNY-UHFFFAOYSA-N","24204731",NA,"PDBC13592","732566","Present"
-"2-(2,5-Dichloro-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-d]thiazole-4,9-dione, 2-[(2,5-dichlorophenyl...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=C(C=CC(=C4)Cl)Cl","FNCOTTXCSUMORN-UHFFFAOYSA-N","377059",NA,"PDBC13593","658274","Present"
-"2-(2,5-Dihydroxybenzoyl)-3-methoxybenzaldehyde","","","","","","","","","","","","","","","","","","","","2-(2,5-Dihydroxybenzoyl)-3-methoxybenzaldehyde","","COC1=CC=CC(=C1C(=O)C2=C(C=CC(=C2)O)O)C=O","CDSSEUULHBJPJA-UHFFFAOYSA-N","358264",NA,"PDBC13594","618207","Present"
-"2-(2,5-Dihydroxyphenyl)-N-hydroxyacetamide","","","","","","","","","","","","","","","","","","","","2-(2,5-Dihydroxyphenyl)-N-hydroxyacetamide","","C1=CC(=C(C=C1O)CC(=O)NO)O","NUTLLMUQDXDDPY-UHFFFAOYSA-N","24205137",NA,"PDBC13595","734455","Present"
-"2-(2,5-Dihydroxyphenyl)vinyl(methyl)formamide","","","","","","","","","","","","","","","","","","","","N-[(E)-2-(2,5-Dihydroxyphenyl)vinyl]-N-methyl-formamide","","CN(C=CC1=C(C=CC(=C1)O)O)C=O","MTTXFSXSYRJBBU-SNAWJCMRSA-N","5916696",NA,"PDBC13596","625300","Present"
-"2-(2,5-Dimethoxyanilino)-N-(6-((2,5-dimethoxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2,5-Dimethoxyanilino)-N-(6-((2,5-dimethoxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide","","COC1=CC(=C(C=C1)OC)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=C(C=CC(=C4)OC)OC","BONRGSXYWWXQEB-UHFFFAOYSA-N","390414",NA,"PDBC13597","687768","Present"
-"2-(2,5-Dimethoxyanilino)acetonitrile","","","","","","","","","","","","","","","","","","","","2-(2,5-Dimethoxyanilino)acetonitrile","","COC1=CC(=C(C=C1)OC)NCC#N","LSMXDOWTIBJMHS-UHFFFAOYSA-N","357717",NA,"PDBC13598","617234","Present"
-"2-(2,5-Dimethoxybenzylidene)-1-tetralone","","","","","","","","","","","","","","","","","","","","2-(2,5-Dimethoxybenzylidene)-1-tetralone","","COC1=CC(=C(C=C1)OC)C=C2CCC3=CC=CC=C3C2=O","SUTYWHROSNPLDQ-SDNWHVSQSA-N","5730654",NA,"PDBC13599","643025","Present"
-"2-(2,5-Dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","HYFOJZRRMCKZRE-UHFFFAOYSA-N","","COC1=CC=C(C=C1)C(=O)CC2=C(C=CC(=C2)OC)OC","HYFOJZRRMCKZRE-UHFFFAOYSA-N","358216",NA,"PDBC13600","618117","Present"
-"2-(2,5-Dimethoxyphenyl)-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","USAPUCSPDYTFQI-UHFFFAOYSA-N","","COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=O)N2","USAPUCSPDYTFQI-UHFFFAOYSA-N","135463673",NA,"PDBC13601","684367","Present"
-"2-(2,5-Dimethoxyphenyl)benzo[g]quinoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","KUC107768N","","COC1=CC(=C(C=C1)OC)C2=NC3=CC4=CC=CC=C4C=C3C(=C2)C(=O)O","ZCLXWKXUYMPGDQ-UHFFFAOYSA-N","282671",NA,"PDBC13602","136473","Present"
-"2-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole","","","","","","","","","","","","","","","","","","","","2-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole","","COC1=CC(=C(C=C1)OC)C2=CN3C4=CC=CC=C4SC3=N2","YDNALTMJGPSMPG-UHFFFAOYSA-N","386067",NA,"PDBC13603","677634","Present"
-"2-(2,5-Dimethylphenyl)-2,3-dihydroquinazolin-4(1h)-one","","","","","","","","","","","","","","","","","","","","4(1H)-Quinazolinone, 2-(2,5-dimethylphenyl)-2,3-dihydro-","","CC1=CC(=C(C=C1)C)C2NC3=CC=CC=C3C(=O)N2","YJPGBNWVIDVAHH-UHFFFAOYSA-N","292556",NA,"PDBC13604","158383","Present"
-"2-(2,5-Diphenyl-1H-pyrrol-3-yl)-2,5-diphenyl-1H-pyrrol-3-one","","","","","","","","","","","","","","","","","","","","2-(2,5-Diphenyl-1H-pyrrol-3-yl)-2,5-diphenyl-1H-pyrrol-3-one","","C1=CC=C(C=C1)C2=CC(=C(N2)C3=CC=CC=C3)C4(C(=O)C=C(N4)C5=CC=CC=C5)C6=CC=CC=C6","QWZZHEPIMXFLLA-UHFFFAOYSA-N","360056",NA,"PDBC13605","621854","Present"
-"2-(2,5-Diphenylpyrrol-1-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(2,5-Diphenylpyrrol-1-yl)phenol","","C1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC=C3O)C4=CC=CC=C4","NYXRQYOKUKNCNH-UHFFFAOYSA-N","265594",NA,"PDBC13606","101789","Present"
-"2-(2,5-Ditert-butylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(2,5-Ditert-butylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione","","CC1=C(CC2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C(C)(C)C)C(C)(C)C)C","BLRBFXKWWFDGCB-UHFFFAOYSA-N","401155",NA,"PDBC13607","714123","Present"
-"2-(2,5-Trimethoxystyryl)benzothiazole","","","","","","","","","","","","","","","","","","","","2-(2,4,5-Trimethoxystyryl)benzothiazole","","COC1=CC(=C(C=C1C=CC2=NC3=CC=CC=C3S2)OC)OC","JPYUAQHFVZDAOO-CMDGGOBGSA-N","5790338",NA,"PDBC13608","263625","Present"
-"2-(2,6-Dichloroanilino)-N-(2-diethylaminoethyl)benzamide","","","","","","","","","","","","","","","","","","","","2-(2,6-Dichloroanilino)-N-(2-diethylaminoethyl)benzamide","","CCN(CC)CCNC(=O)C1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl","LJFGNFFRBPKTIP-UHFFFAOYSA-N","375264",NA,"PDBC13609","654736","Present"
-"2-(2,6-Dichloroanilino)-N-[7-[(2,6-dichlorophenyl)sulfamoyl]-1-oxo-2H-naphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","2-(2,6-Dichloroanilino)-N-[7-[(2,6-dichlorophenyl)sulfamoyl]-1-oxo-2H-naphthalen-2-yl]acetamide","","C1=CC(=C(C(=C1)Cl)NCC(=O)NC2C=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=C(C=CC=C4Cl)Cl)Cl","AAHVZBOFTGNEMJ-UHFFFAOYSA-N","390409",NA,"PDBC13610","687763","Present"
-"2-(2,6-Dichlorophenyl)-4-methyl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(2,6-Dichlorophenyl)-4-methyl-2,3-dihydro-1,5-benzothiazepine","","CC1=NC2=CC=CC=C2SC(C1)C3=C(C=CC=C3Cl)Cl","WDWFSZMSQVMPRQ-UHFFFAOYSA-N","367016",NA,"PDBC13611","636343","Present"
-"2-(2,6-Diethyl-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(2,6-Diethyl-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione","","CCC1=C(C(=CC=C1)CC)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","WBKHHYIIZTWNNQ-UHFFFAOYSA-N","377062",NA,"PDBC13612","658277","Present"
-"2-(2,6-Dimethyl-4-morpholinyl)ethanol","","","","","","","","","","","","","","","","","","","","DA-27097","","CC1CN(CC(O1)C)CCO","VAFPVCCEXLHAGE-UHFFFAOYSA-N","340704",NA,"PDBC13613","371727","Present"
-"2-(2,6-Dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2,6-Dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetamide","","C1=NC2=C(N1)C(=O)NC(=O)N2CC(=O)N","MDFAWSFOZCPPHC-UHFFFAOYSA-N","367811",NA,"PDBC13614","637876","Present"
-"2-(2,6-dioxo-7H-purin-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(2,6-dioxo-7H-purin-3-yl)acetic acid","","C1=NC2=C(N1)C(=O)NC(=O)N2CC(=O)O","BJNYDPYUQPTASK-UHFFFAOYSA-N","367809",NA,"PDBC13615","637874","Present"
-"2-(2,7-Dimethoxyacridin-9-yl)sulfanylethanol","","","","","","","","","","","","","","","","","","","","BG-832","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCO)OC","KQQNVJYEAFNAOR-UHFFFAOYSA-N","395393",NA,"PDBC13616","699929","Present"
-"2-(2-(((4-Phenyl-1H-pyrrol-3-yl)carbonyl)oxy)ethoxy)ethyl 4-phenyl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","2-(2-(((4-Phenyl-1H-pyrrol-3-yl)carbonyl)oxy)ethoxy)ethyl 4-phenyl-1H-pyrrole-3-carboxylate","","C1=CC=C(C=C1)C2=CNC=C2C(=O)OCCOCCOC(=O)C3=CNC=C3C4=CC=CC=C4","MWPWHBVKXWQVOZ-UHFFFAOYSA-N","361884",NA,"PDBC13617","625229","Present"
-"2-(2-((1,3-Dimethyl-2-oxo-6-thioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)ethyl)-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-[2-[(1,3-Dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)sulfanyl]ethyl]isoindole-1,3-dione","","CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3C(=O)C4=CC=CC=C4C3=O","KRVABNNUQOZRNS-UHFFFAOYSA-N","3246362",NA,"PDBC13618","99671","Present"
-"2-(2-((2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)(1H-pyrazol-1-ylmethyl)amino)ethyl)-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-[2-[2-(1,3-Dioxoisoindolin-2-yl)ethyl-(pyrazol-1-ylmethyl)amino]ethyl]isoindoline-1,3-dione","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCN(CCN3C(=O)C4=CC=CC=C4C3=O)CN5C=CC=N5","VBZPIGSBLMEOLH-UHFFFAOYSA-N","361759",NA,"PDBC13619","625025","Present"
-"2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(2,6-dichloro-4-(hydroxy(oxido)amino)phenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,6-dichloro-4-nitrophenyl)-2-oxoacetamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl","CSOROTMZQBWXDV-UHFFFAOYSA-N","11979343",NA,"PDBC13620","641442","Present"
-"2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(4-methoxy-2-nitrophenyl)-2-oxoacetamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]","PNBYEPQHTQTIRR-UHFFFAOYSA-N","11979341",NA,"PDBC13621","641436","Present"
-"2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(2-cyano-4-(hydroxy(oxido)amino)phenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-cyano-4-nitrophenyl)-2-oxoacetamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N","DPYRMSCDVMSDSG-UHFFFAOYSA-N","11979342",NA,"PDBC13622","641441","Present"
-"2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(2-isopropyl-6-methylphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-methyl-6-propan-2-ylphenyl)-2-oxoacetamide","","CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C","MAHPTXQTVYSZRC-UHFFFAOYSA-N","369575",NA,"PDBC13623","641444","Present"
-"2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(4-chloro-3-(hydroxy(oxido)amino)phenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(4-chloro-3-nitrophenyl)-2-oxoacetamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]","VGEPPTNRHMQIFF-UHFFFAOYSA-N","11979339",NA,"PDBC13624","641429","Present"
-"2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(6-(hydroxy(oxido)amino)-2,3-dimethylphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,3-dimethyl-6-nitrophenyl)-2-oxoacetamide","","CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C)C","ROASJFGGKMRNRO-UHFFFAOYSA-N","11979340",NA,"PDBC13625","641432","Present"
-"2-(2-((2-Isopropylphenyl)sulfinyl)phenyl)-2-propanol","","","","","","","","","","","","","","","","","","","","2-(2-((2-Isopropylphenyl)sulfinyl)phenyl)-2-propanol","","CC(C)C1=CC=CC=C1S(=O)C2=CC=CC=C2C(C)(C)O","BNAGKGMIYANWAW-UHFFFAOYSA-N","329524",NA,"PDBC13626","312816","Present"
-"2-(2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanoyl)-N-phenylhydrazinecarbothioamide","","","","","","","","","","","","","","","","","","","","2-(2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanoyl)-N-phenylhydrazinecarbothioamide","","CC(C)C(C(=O)NNC(=S)NC1=CC=CC=C1)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","BROKHWDLQSGCDE-UHFFFAOYSA-N","3004406",NA,"PDBC13627","650818","Present"
-"2-(2-((Hydroxyimino)methyl)-3-pyridinyl)ethyl acetate","","","","","","","","","","","","","","","","","","","","2-(2-((Hydroxyimino)methyl)-3-pyridinyl)ethyl acetate","","CC(=O)OCCC1=C(N=CC=C1)C=NO","XIGOXJUXTSVWBQ-KPKJPENVSA-N","135499210",NA,"PDBC13628","644872","Present"
-"2-(2-((Tert-Butyl(dimethyl)silyl)oxy)ethyl)-4-(1,3,4,5-cyclohexatetraen-1-ylsulfonyl)-5-(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane","","","","","","","","","","","","","","","","","","","","2-[5-(Benzenesulfonyl)-4-cyclohexa-1,3,4,5-tetraen-1-ylsulfonyl-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]ethoxy-tert-butyl-dimethylsilane","","CC(C)(C)[Si](C)(C)OCCC1CC2(C(CN1O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=C=C=C4","DLISVRBYLGDGIP-UHFFFAOYSA-N","373324",NA,"PDBC13629","649468","Present"
-"2-(2-(1,3-Benzodithiol-2-ylidene)-1,2-bis(5-methyl-2-thienyl)ethylidene)-1,3-benzodithiole","","","","","","","","","","","","","","","","","","","","2-(2-(1,3-Benzodithiol-2-ylidene)-1,2-bis(5-methyl-2-thienyl)ethylidene)-1,3-benzodithiole","","CC1=CC=C(S1)C(=C2SC3=CC=CC=C3S2)C(=C4SC5=CC=CC=C5S4)C6=CC=C(S6)C","DFTXMENVHKRVMU-UHFFFAOYSA-N","388885",NA,"PDBC13630","684110","Present"
-"2-(2-(1-(Pyrimidin-4-yl)ethylidene)hydrazinyl)benzo[d]thiazole","","","","","","","","","","","","","","","","","","","","2-(2-(1-(pyrimidin-4-yl)ethylidene)hydrazinyl)benzo[d]th...","","CC(=NNC1=NC2=CC=CC=C2S1)C3=NC=NC=C3","ZMEIUSLAHMLILY-RQZCQDPDSA-N","5351439",NA,"PDBC13631","693632","Present"
-"2-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid","","CN1C2=CC=CC=C2C(=NNC3=CC=CC=C3C(=O)O)C4=CC=CC=C41","JXOZYPCJFBLQQM-UHFFFAOYSA-N","385771",NA,"PDBC13632","677165","Present"
-"2-(2-(2,3-Dihydro-1,3-benzothiazol-2-yl)hexahydropyrrolo[2,1-b][1,3]oxazol-3-yl)-2,3-dihydro-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2,3-Bis(2,3-dihydro-1,3-benzothiazol-2-yl)-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole","","C1CC2N(C1)C(C(O2)C3NC4=CC=CC=C4S3)C5NC6=CC=CC=C6S5","SKSITQFSDMBHNB-UHFFFAOYSA-N","376406",NA,"PDBC13633","657318","Present"
-"2-(2-(2,4,5-Tris(2-(2-formylphenoxy)ethoxy)phenoxy)ethoxy)benzaldehyde","","","","","","","","","","","","","","","","","","","","2-(2-(2,4,5-Tris(2-(2-formylphenoxy)ethoxy)phenoxy)ethoxy)benzaldehyde","","C1=CC=C(C(=C1)C=O)OCCOC2=CC(=C(C=C2OCCOC3=CC=CC=C3C=O)OCCOC4=CC=CC=C4C=O)OCCOC5=CC=CC=C5C=O","ZOGKENMIMVPTEB-UHFFFAOYSA-N","373590",NA,"PDBC13634","650043","Present"
-"2-(2-(2,4-Dichlorophenyl)ethyl)-1-methyl-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(2-(2,4-Dichlorophenyl)ethyl)-1-methyl-1H-imidazole","","CN1C=CN=C1CCC2=C(C=C(C=C2)Cl)Cl","WUGHVDNSXPELLP-UHFFFAOYSA-N","368167",NA,"PDBC13635","638585","Present"
-"2-(2-(2,4-Difluorophenyl)ethyl)-1-methyl-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(2-(2,4-Difluorophenyl)ethyl)-1-methyl-1H-imidazole","","CN1C=CN=C1CCC2=C(C=C(C=C2)F)F","JIWLBGVUDGRYDV-UHFFFAOYSA-N","381493",NA,"PDBC13636","668214","Present"
-"2-(2-(2,4-Dimethylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(2,4-Dimethylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide","","CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=C(C=C(C=C3)C)C)S2","OZBCLCBZGFTEGI-UHFFFAOYSA-N","135452644",NA,"PDBC13637","634412","Present"
-"2-(2-(2,5-Dibromo-4-(2-(1-methyl-1H-pyrrol-2-yl)vinyl)phenyl)vinyl)-1-methyl-1H-pyrrole","","","","","","","","","","","","","","","","","","","","2-[(E)-2-[2,5-Dibromo-4-[(E)-2-(1-methylpyrrol-2-yl)vinyl]phenyl]vinyl]-1-methyl-pyrrole","","CN1C=CC=C1C=CC2=CC(=C(C=C2Br)C=CC3=CC=CN3C)Br","GEGUYLUTEIYTNK-FIFLTTCUSA-N","5387804",NA,"PDBC13638","627573","Present"
-"2-(2-(2,5-Dimethoxyphenyl)ethyl)-1,4-dimethoxybenzene","","","","","","","","","","","","","","","","","","","","Benzene, 1,1'-(1,2-ethanediyl)bis[2,5-dimethoxy-","","COC1=CC(=C(C=C1)OC)CCC2=C(C=CC(=C2)OC)OC","PJPONKMXDCEBRP-UHFFFAOYSA-N","297389",NA,"PDBC13639","168516","Present"
-"2-(2-(2,6-Dichloroanilino)phenyl)-N-(3-(diethylamino)propyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(2,6-Dichloroanilino)phenyl)-N-(3-(diethylamino)propyl)acetamide","","CCN(CC)CCCNC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl","OYUKOFKURXFZKR-UHFFFAOYSA-N","375259",NA,"PDBC13640","654733","Present"
-"2-(2-(2-((Benzyloxy)methyl)-1-((tert-butyl(dimethyl)silyl)oxy)-2-cyclohexen-1-yl)ethyl)phenyl trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","[2-[2-[1-[Tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)cyclohex-2-en-1-yl]ethyl]phenyl] trifluoromethanesulfonate","","CC(C)(C)[Si](C)(C)OC1(CCCC=C1COCC2=CC=CC=C2)CCC3=CC=CC=C3OS(=O)(=O)C(F)(F)F","LPFJOIQKSSSIAJ-UHFFFAOYSA-N","394601",NA,"PDBC13641","698181","Present"
-"2-(2-(2-((Tert-Butyl(dimethyl)silyl)oxy)ethyl)phenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane","","","","","","","","","","","","","","","","","","","","2-[2-[4,5-Bis(benzenesulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethoxy-tert-butyl-dimethylsilane","","CC(C)(C)[Si](C)(C)OCCC1=CC=CC=C1C2CC3(C(CN2O3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","SWWCJTUVSXJESY-UHFFFAOYSA-N","373323",NA,"PDBC13642","649467","Present"
-"2-(2-(2-(2,4,5-Tris(2-(2-(1,3-dioxolan-2-yl)phenoxy)ethoxy)phenoxy)ethoxy)phenyl)-1,3-dioxolane","","","","","","","","","","","","","","","","","","","","2-(2-(2-(2,4,5-Tris(2-(2-(1,3-dioxolan-2-yl)phenoxy)ethoxy)phenoxy)ethoxy)phenyl)-1,3-dioxolane","","C1COC(O1)C2=CC=CC=C2OCCOC3=CC(=C(C=C3OCCOC4=CC=CC=C4C5OCCO5)OCCOC6=CC=CC=C6C7OCCO7)OCCOC8=CC=CC=C8C9OCCO9","JYVTWSAMQLZEKP-UHFFFAOYSA-N","374816",NA,"PDBC13643","653153","Present"
-"2-(2-(2-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino)-1,3-thiazol-4-yl)-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-(2-(2-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino)-1,3-thiazol-4-yl)-N-phenylacetamide","","C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O","XEYRUBDXGZQFDO-UHFFFAOYSA-N","376657",NA,"PDBC13644","657703","Present"
-"2-(2-(2-(5-(Anilinomethylene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazino)-1,3-thiazol-5-yl)-N-(2-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[2-[(2E)-2-[3-Ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-ylidene]hydrazinyl]-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide","","CCN1C(=C(SC1=NNC2=NC=C(S2)CC(=O)NC3=CC=CC=C3C)C=NC4=CC=CC=C4)O","DREITMHDYNZOKF-NOTXRWQHSA-N","135462447",NA,"PDBC13645","658350","Present"
-"2-(2-(2-(Benzyloxy)ethoxy)ethoxy)ethyl palmitate","","","","","","","","","","","","","","","","","","","","2-(2-(2-(Benzyloxy)ethoxy)ethoxy)ethyl palmitate","","CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCC1=CC=CC=C1","DHITYIPWFQRZCH-UHFFFAOYSA-N","361960",NA,"PDBC13646","625443","Present"
-"2-(2-(2-Amino-2-oxoethoxy)ethoxy)-N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(2-Amino-2-oxoethoxy)ethoxy)-N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)acetamide","","CC1(C2CCC1(C(C2)NC(=O)COCCOCC(=O)N)C)C","IRNKFZWRARRMNB-UHFFFAOYSA-N","376005",NA,"PDBC13647","656385","Present"
-"2-(2-(2-Amino-4-tert-butylphenoxy)ethoxy)-5-tert-butylaniline","","","","","","","","","","","","","","","","","","","","2-(2-(2-Amino-4-tert-butylphenoxy)ethoxy)-5-tert-butylaniline","","CC(C)(C)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C(C)(C)C)N)N","VCHBKHLVWXUWFZ-UHFFFAOYSA-N","394578",NA,"PDBC13648","698147","Present"
-"2-(2-(2-Aminoethoxy)ethoxy)acetic acid","","","","","","","","","","","","","","","","","","","","H2N-PEG2-CH2COOH","","C(COCCOCC(=O)O)N","RUVRGYVESPRHSZ-UHFFFAOYSA-N","362706",NA,"PDBC13649","626945","Present"
-"2-(2-(2-Butoxyethoxy)ethoxy)naphthazarin","","","","","","","","","","","","","","","","","","","","2-(2-(2-Butoxyethoxy)ethoxy)naphthazarin","","CCCCOCCOCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","AHWDBDDIHKRXEO-UHFFFAOYSA-N","378625",NA,"PDBC13650","661418","Present"
-"2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,4-dichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,4-dichlorophenyl)acetamide","","C1=CC=C(C(=C1)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl)Cl","UXVYYFRGYBIXLW-UHFFFAOYSA-N","135503444",NA,"PDBC13651","632247","Present"
-"2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,5-dimethylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,5-dimethylphenyl)acetamide","","CC1=CC(=C(C=C1)C)NC(=O)CC2C(=O)NC(=NC3=CC=CC=C3Cl)S2","FZIWAIYGXCODCO-UHFFFAOYSA-N","135463157",NA,"PDBC13652","634392","Present"
-"2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-chloro-2-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-chloro-2-methylphenyl)acetamide","","CC1=C(C=CC(=C1)Cl)NC(=O)CC2C(=O)NC(=NC3=CC=CC=C3Cl)S2","MNJHFMHCCLCTHG-UHFFFAOYSA-N","135503442",NA,"PDBC13653","632242","Present"
-"2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-chlorophenyl)acetamide","","C1=CC=C(C(=C1)N=C2NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Cl)Cl","NMVHQGBRMUKTAN-UHFFFAOYSA-N","135503460",NA,"PDBC13654","635564","Present"
-"2-(2-(2-Ethyl-4-methylene-5-oxotetrahydro-2-furanyl)ethyl)-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(2-(2-Ethyl-4-methylene-5-oxotetrahydro-2-furanyl)ethyl)-1H-isoindole-1,3(2H)-dione","","CCC1(CC(=C)C(=O)O1)CCN2C(=O)C3=CC=CC=C3C2=O","NMDBGGUDFHJHAV-UHFFFAOYSA-N","368843",NA,"PDBC13655","640168","Present"
-"2-(2-(2-Hydroxyethoxy)ethylamino)-5,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-(2-(2-Hydroxyethoxy)ethylamino)-5,8-dihydroxy- 1,4-nap...","","C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)NCCOCCO)O","WUKSIUMPFVIQOR-UHFFFAOYSA-N","377210",NA,"PDBC13656","658442","Present"
-"2-(2-(2-Hydroxyethyl)phenyl)-N-(2-phenylethyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(2-Hydroxyethyl)phenyl)-N-(2-phenylethyl)acetamide","","C1=CC=C(C=C1)CCNC(=O)CC2=CC=CC=C2CCO","BRZWPHHHWCGOOS-UHFFFAOYSA-N","390008",NA,"PDBC13657","686931","Present"
-"2-(2-(2-Methoxyethoxy)ethoxy)naphthazarin","","","","","","","","","","","","","","","","","","","","2-(2-(2-Methoxyethoxy)ethoxy)naphthazarin","","COCCOCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","PFFIYSKGKWGZIM-UHFFFAOYSA-N","378623",NA,"PDBC13658","661416","Present"
-"2-(2-(2-Piperidinyl)ethyl)quinoline","","","","","","","","","","","","","","","","","","","","2-(2-(2-Piperidinyl)ethyl)quinoline","","C1CCNC(C1)CCC2=NC3=CC=CC=C3C=C2","YSBPMMIOSDLMAM-UHFFFAOYSA-N","238467",NA,"PDBC13659","42816","Present"
-"2-(2-(2-Pyridinyl)-1,3-dioxolan-2-yl)-1H-indole","","","","","","","","","","","","","","","","","","","","2-(2-Pyridin-2-yl-1,3-dioxolan-2-yl)-1H-indole","","C1COC(O1)(C2=CC=CC=N2)C3=CC4=CC=CC=C4N3","COWYISPVZDAVOO-UHFFFAOYSA-N","392287",NA,"PDBC13660","692421","Present"
-"2-(2-(3,4-Dichlorophenyl)vinyl)-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-(2-(3,4-Dichlorophenyl)vinyl)-1,3-benzothiazole","","C1=CC=C2C(=C1)N=C(S2)C=CC3=CC(=C(C=C3)Cl)Cl","XCPIFYWAYGORLC-SOFGYWHQSA-N","5798722",NA,"PDBC13661","670685","Present"
-"2-(2-(3,4-Dimethoxyphenyl)ethyl)-1-methyl-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(2-(3,4-Dimethoxyphenyl)ethyl)-1-methyl-1H-imidazole","","CN1C=CN=C1CCC2=CC(=C(C=C2)OC)OC","YONJQPJIEATLSF-UHFFFAOYSA-N","381524",NA,"PDBC13662","668280","Present"
-"2-(2-(3,5-Dihydroxy-1,2,4-triazin-6-yl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(2-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)ph...","","C1=CC=C(C(=C1)C2=NNC(=O)NC2=O)N3C(=O)NC(=O)C(=N3)C(=O)O","IXKGNNQTJQVGKK-UHFFFAOYSA-N","338741",NA,"PDBC13663","362639","Present"
-"2-(2-(3-Chloro-2-hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-propanediol","","","","","","","","","","","","","","","","","","","","2-(2-(3-Chloro-2-hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-propanediol","","COC1=C(C=C2C(N(CCC2=C1)CC(CCl)O)C(CO)CO)OC","JTYIVAVNPJVXGA-UHFFFAOYSA-N","373604",NA,"PDBC13664","650209","Present"
-"2-(2-(3-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(3-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-methylphenyl)acetamide","","CC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=C(C(=CC=C3)Cl)C)S2","NMLSXGMUYTXGRL-UHFFFAOYSA-N","135503443",NA,"PDBC13665","632245","Present"
-"2-(2-(3-Pyridinyl)ethyl)pyridine","","","","","","","","","","","","","","","","","","","","STK080084","","C1=CC=NC(=C1)CCC2=CN=CC=C2","FKRHNJKOAMFDOX-UHFFFAOYSA-N","248743",NA,"PDBC13666","66162","Present"
-"2-(2-(4-Bromophenyl)-2-oxoethylidene)-5-(2,4-dimethylphenyl)-3(2H)-furanone","","","","","","","","","","","","","","","","","","","","Furan-3(2H)-one, 2-[2-(4-bromophenyl)-2-oxoethylidene]- ...","","CC1=CC(=C(C=C1)C2=CC(=O)C(=CC(=O)C3=CC=C(C=C3)Br)O2)C","UFMBMHFRHBOKNN-KEBDBYFISA-N","5468713",NA,"PDBC13667","674919","Present"
-"2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,4-dichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,4-dichlorophenyl)acetamide","","CC1=C(C=CC(=C1)Cl)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl","VKYDQDGPOZKLFN-UHFFFAOYSA-N","135503445",NA,"PDBC13668","632957","Present"
-"2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[2-(4-Chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide","","CC1=C(C=CC(=C1)Cl)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]","BNODKUWAGFYKQY-UHFFFAOYSA-N","135469000",NA,"PDBC13669","634417","Present"
-"2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3-chlorophenyl)acetamide","","CC1=C(C=CC(=C1)Cl)N=C2NC(=O)C(S2)CC(=O)NC3=CC(=CC=C3)Cl","GRONYOZLTKWDIM-UHFFFAOYSA-N","135444515",NA,"PDBC13670","633945","Present"
-"2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)acetamide","","CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=CC=C(C=C3)Cl)S2)C","ACQSRWGWHHIWSG-UHFFFAOYSA-N","135483407",NA,"PDBC13671","635418","Present"
-"2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide","","CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=CC=C(C=C3)Cl)S2","MENUNSIJJHJVQI-UHFFFAOYSA-N","135503439",NA,"PDBC13672","631563","Present"
-"2-(2-(4-Chlorophenyl)vinyl)-N~4~-(4-(diethylamino)-1-methylbutyl)-N~7~,N~7~-dimethyl-4,7-quinolinediamine","","","","","","","","","","","","","","","","","","","","2-[2-(4-chlorophenyl)ethenyl]-4-N-[5-(diethylamino)penta...","","CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC(=C1)C=CC3=CC=C(C=C3)Cl)N(C)C","IHVLNHIQZZXWLC-NTCAYCPXSA-N","5780727",NA,"PDBC13673","292651","Present"
-"2-(2-(4-Ethoxy-3,5-dimethoxybenzyl)hydrazino)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","2-(2-(4-Ethoxy-3,5-dimethoxybenzyl)hydrazino)-1,3-thiazole","","CCOC1=C(C=C(C=C1OC)CNNC2=NC=CS2)OC","RAUBLGZKCZGTQC-UHFFFAOYSA-N","386062",NA,"PDBC13674","677631","Present"
-"2-(2-(4-Ethoxyanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-(hydroxy(oxido)amino)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[2-(4-Ethoxyanilino)-4-oxo-thiazol-5-yl]-N-(2-nitrophenyl)acetamide","","CCOC1=CC=C(C=C1)N=C2NC(=O)C(S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]","WMFTVCDMRYARPC-UHFFFAOYSA-N","135478596",NA,"PDBC13675","634408","Present"
-"2-(2-(5-(2-Phenylvinyl)-1H-pyrazol-3-yl)ethyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2-[2-[5-[(E)-Styryl]-1H-pyrazol-3-yl]ethyl]-1H-benzimidazole","","C1=CC=C(C=C1)C=CC2=NNC(=C2)CCC3=NC4=CC=CC=C4N3","OWYXAQBXRBXNCS-ZHACJKMWSA-N","5387980",NA,"PDBC13676","630309","Present"
-"2-(2-(6-(2-(2-Formylphenyl)ethyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl)ethyl)benzaldehyde","","","","","","","","","","","","","","","","","","","","2-[2-[2-[2-(2-Formylphenyl)ethyl]-1,3,5,7-tetraoxo-pyrrolo[3,4-f]isoindol-6-yl]ethyl]benzaldehyde","","C1=CC=C(C(=C1)CCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CCC5=CC=CC=C5C=O)C=O","YERGARCCZLUFGE-UHFFFAOYSA-N","374806",NA,"PDBC13677","653143","Present"
-"2-(2-(6-Oxo-3,5-diphenyl-1(6H)-pyridazinyl)ethyl)-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(2-(6-Oxo-3,5-diphenyl-1(6H)-pyridazinyl)ethyl)-1H-isoindole-1,3(2H)-dione","","C1=CC=C(C=C1)C2=CC(=NN(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5","OTBNZESEXVQGIJ-UHFFFAOYSA-N","366366",NA,"PDBC13678","634742","Present"
-"2-(2-(Allylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,4-bis(hydroxy(oxido)amino)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[2-(Allylamino)-4-oxo-thiazol-5-yl]-N-(2,4-dinitrophenyl)acetamide","","C=CCN=C1NC(=O)C(S1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","FZUBGBXCQZNUDI-UHFFFAOYSA-N","135503455",NA,"PDBC13679","634391","Present"
-"2-(2-(Allylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(Allylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3-chlorophenyl)acetamide","","C=CCN=C1NC(=O)C(S1)CC(=O)NC2=CC(=CC=C2)Cl","GYUBDLAWWGIGOY-UHFFFAOYSA-N","135452289",NA,"PDBC13680","631560","Present"
-"2-(2-(Benzoylamino)-3-(3-(hydroxy(oxido)amino)phenyl)acryloyl)-N-(4-chlorophenyl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-[[(4-Chlorophenyl)carbamoylamino]carbamoyl]-2-(3-nitrophenyl)vinyl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NNC(=O)NC3=CC=C(C=C3)Cl","WQOFKOQXKBPZJP-ZHZULCJRSA-N","5388180",NA,"PDBC13681","632950","Present"
-"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)-1-(phenoxymethyl)ethyl benzoate","","","","","","","","","","","","","","","","","","","","2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)-1-(phenoxymethyl)ethyl benzoate","","C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CC(COC4=CC=CC=C4)OC(=O)C5=CC=CC=C5","LLKTWSQXNAIHSZ-UHFFFAOYSA-N","135430117",NA,"PDBC13682","637535","Present"
-"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=NC3=C2C(=O)NC(=N3)NC(=O)C4=CC=CC=C4","LKMUJBRHMQSHIL-UHFFFAOYSA-N","135494907",NA,"PDBC13683","637515","Present"
-"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl benzoate","","","","","","","","","","","","","","","","","","","","2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl benzoate","","C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCOC(=O)C4=CC=CC=C4","USPKQGSSAICBHS-UHFFFAOYSA-N","135501538",NA,"PDBC13684","637507","Present"
-"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl methanesulfonate","","CS(=O)(=O)OCCN1C=NC2=C1C(=O)NC(=N2)NC(=O)C3=CC=CC=C3","VJLSJEBFFQRVQX-UHFFFAOYSA-N","135503473",NA,"PDBC13685","637516","Present"
-"2-(2-(Benzyl(hydroxy)amino)ethyl)pyridine","","","","","","","","","","","","","","","","","","","","2-(2-(Benzyl(hydroxy)amino)ethyl)pyridine","","C1=CC=C(C=C1)CN(CCC2=CC=CC=N2)O","XESWVOYQVZPHKK-UHFFFAOYSA-N","250864",NA,"PDBC13686","70817","Present"
-"2-(2-(Dimethylamino)ethylamino)naphthazarin","","","","","","","","","","","","","","","","","","","","2-(2-(Dimethylamino)ethylamino)naphthazarin","","CN(C)CCNC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","FTXFIRWTPFUYDI-UHFFFAOYSA-N","376950",NA,"PDBC13687","658145","Present"
-"2-(2-(Dimethylamino)ethylthio)ethanol","","","","","","","","","","","","","","","","","","","","CHTMWEOOCHRCKO-UHFFFAOYSA-N","","CN(C)CCSCCO","CHTMWEOOCHRCKO-UHFFFAOYSA-N","305582",NA,"PDBC13688","202604","Present"
-"2-(2-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC=CC=C4[N+](=O)[O-]","MREDQICLGDKZIF-UHFFFAOYSA-N","376433",NA,"PDBC13689","657347","Present"
-"2-(2-(Hydroxy(oxido)amino)anilino)-N-(6-((2-(hydroxy(oxido)amino)anilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-Nitroanilino)-N-[6-[(2-nitrophenyl)sulfamoyl]-4-oxoquinazolin-3-yl]acetamide","","C1=CC=C(C(=C1)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]","SPYNKZUDTPJNKU-UHFFFAOYSA-N","390411",NA,"PDBC13690","687765","Present"
-"2-(2-(Hydroxymethyl)-4,5-dimethoxyphenyl)-N-(3-(3-methoxyphenyl)propyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(Hydroxymethyl)-4,5-dimethoxyphenyl)-N-(3-(3-methoxyphenyl)propyl)acetamide","","COC1=CC=CC(=C1)CCCNC(=O)CC2=CC(=C(C=C2CO)OC)OC","DZRFKXXLDCNOMJ-UHFFFAOYSA-N","390035",NA,"PDBC13691","686949","Present"
-"2-(2-(Hydroxymethyl)-4,5-dimethoxyphenyl)-N-(3-phenylpropyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(Hydroxymethyl)-4,5-dimethoxyphenyl)-N-(3-phenylpropyl)acetamide","","COC1=C(C=C(C(=C1)CC(=O)NCCCC2=CC=CC=C2)CO)OC","ZCIZUWTYKOSXNN-UHFFFAOYSA-N","390036",NA,"PDBC13692","686950","Present"
-"2-(2-(Phenylsulfonyl)-2,3-butadienyl)cyclohexanone","","","","","","","","","","","","","","","","","","","","2-(2-(Phenylsulfonyl)-2,3-butadienyl)cyclohexanone","","C=C=C(CC1CCCCC1=O)S(=O)(=O)C2=CC=CC=C2","SYHFPVJPQMKXCX-UHFFFAOYSA-N","379026",NA,"PDBC13693","662788","Present"
-"2-(2-(Trifluoromethyl)anilino)naphtho[2,3-d][1,3]thiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(2-(Trifluoromethyl)anilino)naphtho[2,3-d][1,3]thiazole-4,9-dione","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=CC=C4C(F)(F)F","IHXQSBOKTPTGLJ-UHFFFAOYSA-N","377061",NA,"PDBC13694","658276","Present"
-"2-(2-(Trifluoromethyl)phenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","2-(2-(Trifluoromethyl)phenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione","","C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)C3C(C2=O)SC4=CC=CC=C4N3","YBQRTYUDGSJFHG-UHFFFAOYSA-N","366290",NA,"PDBC13695","634641","Present"
-"2-(2-(benzo[d]thiazole-2-carbonyl)hydrazono)propanoic ac...","","","","","","","","","","","","","","","","","","","","2-(2-(benzo[d]thiazole-2-carbonyl)hydrazono)propanoic ac...","","","","",NA,"PDBC13696","788377","Present"
-"2-(2-4-[3-(7-Methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]p yrrolo[1,2-a][1,4]diazepin-8-yloxy)ethyl]hexahydro-1-pyrazin ylethyl)-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(2-4-[3-(7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-benzo...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCN4CCN(CC4)CCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O","IJNYZJHHEVZWAC-QHCPKHFHSA-N","11649976",NA,"PDBC13697","726708","Present"
-"2-(2-Acetamidothiazol-5-yl)sulfanylbenzoic acid","","","","","","","","","","","","","","","","","","","","2-(2-Acetamidothiazol-5-yl)sulfanylbenzoic acid","","CC(=O)NC1=NC=C(S1)SC2=CC=CC=C2C(=O)O","XHKVAKSCPSYRGB-UHFFFAOYSA-N","391252",NA,"PDBC13698","690149","Present"
-"2-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-benzyl-1H-indole","","","","","","","","","","","","","","","","","","","","2-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-benzyl-1H-indole","","CC(=O)N1C(CCN1C2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)CC5=CC=CC=C5","OYWROJXUKQGJOC-UHFFFAOYSA-N","377007",NA,"PDBC13699","658225","Present"
-"2-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-phenyl-1H-indole","","","","","","","","","","","","","","","","","","","","2-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-phenyl-1H-indole","","CC(=O)N1C(CCN1C2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)C5=CC=CC=C5","KJZARKYUBZNZKX-UHFFFAOYSA-N","377006",NA,"PDBC13700","658224","Present"
-"2-(2-Acetyl-1H-benzimidazol-1-yl)-1-phenyl-1-propanone","","","","","","","","","","","","","","","","","","","","2-(2-Acetyl-1H-benzimidazol-1-yl)-1-phenyl-1-propanone","","CC(C(=O)C1=CC=CC=C1)N2C3=CC=CC=C3N=C2C(=O)C","OTGBIUVFSAERSI-UHFFFAOYSA-N","384458",NA,"PDBC13701","674260","Present"
-"2-(2-Acetyl-1H-benzimidazol-1-yl)-1-phenylethanone","","","","","","","","","","","","","","","","","","","","STL257911","","CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=CC=C3","FKGQXFATCKEKIR-UHFFFAOYSA-N","384454",NA,"PDBC13702","674256","Present"
-"2-(2-Acetyl-1H-pyrrol-1-yl)-1-(1H-pyrrol-2-yl)vinyl tert-butyl carbonate","","","","","","","","","","","","","","","","","","","","2-(2-Acetyl-1H-pyrrol-1-yl)-1-(1H-pyrrol-2-yl)vinyl tert-butyl carbonate","","CC(=O)C1=CC=CN1C=C(C2=CC=CN2)OC(=O)OC(C)(C)C","SSHJBBRAFONJSP-PTNGSMBKSA-N","3005359",NA,"PDBC13703","694953","Present"
-"2-(2-Acetyl-4-nitrophenoxy)acetic acid","","","","","","","","","","","","","","","","","","","","Acetic acid, (2-acetyl-4-nitrophenoxy)-","","CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)O","PSUXXDHFQIYRSL-UHFFFAOYSA-N","361681",NA,"PDBC13704","624899","Present"
-"2-(2-Acetylanilino)-N-(6-((2-acetylanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-Acetylanilino)-N-(6-((2-acetylanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide","","CC(=O)C1=CC=CC=C1NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)C","KOVFPJIWVIKHOP-UHFFFAOYSA-N","390413",NA,"PDBC13705","687767","Present"
-"2-(2-Acetylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(2-Acetylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone","","CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Cl","AABPSESTZLBZAJ-UHFFFAOYSA-N","384455",NA,"PDBC13706","674257","Present"
-"2-(2-Acetylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(2-Acetylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone","","CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)OC","SGPGEGNAZBZTRE-UHFFFAOYSA-N","384456",NA,"PDBC13707","674258","Present"
-"2-(2-Acetylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(2-Acetylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone","","CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","CZGLDORDWWTIHM-UHFFFAOYSA-N","384457",NA,"PDBC13708","674259","Present"
-"2-(2-Amino-3,4-dibromophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;oxalic acid","","","","","","","","","","","","","","","","","","","","2-(2-Amino-3,4-dibromophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;oxalic acid","","CN(C1CCCCC1N2CCCC2)C(=O)CC3=C(C(=C(C=C3)Br)Br)N.C(=O)(C(=O)O)O","GNOMWXNFRWLJBL-MOGJOVFKSA-N","398439",NA,"PDBC13709","708138","Present"
-"2-(2-Amino-4,5-dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(2-Amino-4,5-dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride","","CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3N)Cl)Cl.Cl","UQRWYWBTGGCIOA-SZOUEMSFSA-N","54611452",NA,"PDBC13710","707817","Present"
-"2-(2-Amino-4,6-dibromophenyl)-3,5-dimethylaniline","","","","","","","","","","","","","","","","","","","","4,6-Dibromo-4',6'-dimethylbiphenyl-2,2'-diamine","","CC1=CC(=C(C(=C1)N)C2=C(C=C(C=C2Br)Br)N)C","GBOUZBGQEZQRIL-UHFFFAOYSA-N","238709",NA,"PDBC13711","43226","Present"
-"2-(2-Amino-4-benzyloxycarbonyl-butanoylamino)-pentanedioic acid 5-benzyl ester","","","","","","","","","","","","","","","","","","","","2-(2-Amino-4-benzyloxycarbonyl-butanoylamino)-pentanedioic acid 5-benzyl ester","","C1=CC=C(C=C1)COC(=O)CCC(C(=O)NC(CCC(=O)OCC2=CC=CC=C2)C(=O)O)N","BCTGJPYINPEJTQ-UHFFFAOYSA-N","381818",NA,"PDBC13712","668891","Present"
-"2-(2-Amino-4-phenyl-4,5-dihydropyrimidin-6-yl)-6-bromo-4-chlorophenol","","","","","","","","","","","","","","","","","","","","2-(2-Amino-4-phenyl-4,5-dihydropyrimidin-6-yl)-6-bromo-4-chlorophenol","","C1C(N=C(N=C1C2=C(C(=CC(=C2)Cl)Br)O)N)C3=CC=CC=C3","LHDPNKPECLCVAY-UHFFFAOYSA-N","359846",NA,"PDBC13713","621456","Present"
-"2-(2-Amino-4aH-pyrido[1,2-a]benzimidazol-5-yl)-1-morpholino-ethanone","","","","","","","","","","","","","","","","","","","","2-(2-Amino-4aH-pyrido[1,2-a]benzimidazol-5-yl)-1-morpholino-ethanone","","C1COCCN1C(=O)CN2C3C=CC(=CN3C4=CC=CC=C42)N","IXPFODOGPITSNL-UHFFFAOYSA-N","392525",NA,"PDBC13714","693041","Present"
-"2-(2-Amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-7-ium-7-yl)-1-phenylethanone;bromide","","","","","","","","","","","","","","","","","","","","2-Amino-7-(2-oxo-2-phenylethyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-7-ium bromide","","C1=CC=C(C=C1)C2=CN3C(=[N+]2CC(=O)C4=CC=CC=C4)SC(=N3)N.[Br-]","HXZSXCVHLKVYIZ-UHFFFAOYSA-M","404049",NA,"PDBC13715","720145","Present"
-"2-(2-Amino-6-phenylpyrimidin-4-yl)-4-chlorophenol","","","","","","","","","","","","","","","","","","","","2-(2-Amino-6-phenylpyrimidin-4-yl)-4-chlorophenol","","C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=C(C=CC(=C3)Cl)O","DYNWHSRNFPBNHN-UHFFFAOYSA-N","359840",NA,"PDBC13716","621449","Present"
-"2-(2-Amino-6-phenylpyrimidin-4-yl)-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-(2-Amino-6-phenylpyrimidin-4-yl)-4-methylphenol","","CC1=CC(=C(C=C1)O)C2=NC(=NC(=C2)C3=CC=CC=C3)N","YHQHVYBIZGDCBV-UHFFFAOYSA-N","386504",NA,"PDBC13717","678879","Present"
-"2-(2-Amino-6-phenylpyrimidin-4-yl)phenol","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxyphenyl)-6-phenyl-2-pyrimidinamin","","C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=CC=CC=C3O","SXELSOZGQKZOPI-UHFFFAOYSA-N","359838",NA,"PDBC13718","621447","Present"
-"2-(2-Amino-6-sulfanyl-purin-7-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-(2-Amino-6-sulfanyl-purin-7-yl)ethanol","","C1=NC2=C(N1CCO)C(=S)N=C(N2)N","WOZFOVPAOLINNT-UHFFFAOYSA-N","3004225",NA,"PDBC13719","637509","Present"
-"2-(2-Aminoanilino)benzoate;nickel(2+)","","","","","","","","","","","","","","","","","","","","2-(2-Aminoanilino)benzoate;nickel(2+)","","C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.[Ni+2]","QXMDIGWADNVSBM-UHFFFAOYSA-L","24202383",NA,"PDBC13720","646283","Present"
-"2-(2-Aminobenzoyl)-3-(2-methylphenyl)oxirane","","","","","","","","","","","","","","","","","","","","2-(2-Aminobenzoyl)-3-(2-methylphenyl)oxirane","","CC1=CC=CC=C1C2C(O2)C(=O)C3=CC=CC=C3N","VFVLMFYFIQNUIR-UHFFFAOYSA-N","395567",NA,"PDBC13721","700273","Present"
-"2-(2-Aminoethyl)-3-(4-chlorophenyl)-1-isoindolinone","","","","","","","","","","","","","","","","","","","","2-(2-Aminoethyl)-3-(4-chlorophenyl)-1-isoindolinone","","C1=CC=C2C(=C1)C(N(C2=O)CCN)C3=CC=C(C=C3)Cl","VHCPFFZVVQMAEG-UHFFFAOYSA-N","395643",NA,"PDBC13722","700425","Present"
-"2-(2-Aminoethyl)-5,6-dichloro-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(2-Aminoethyl)-5,6-dichloro-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one;hydrochloride","","C1=CC(=CC=C1C2(C3=CC(=C(C=C3C(=O)N2CCN)Cl)Cl)O)Cl.Cl","RYAWDFQYHACDTO-UHFFFAOYSA-N","403518",NA,"PDBC13723","718519","Present"
-"2-(2-Aminoethylamino)ethanol;2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxo-6-(2,3,4,5,6-pentahydroxyhexoxy)anthracene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(2-Aminoethylamino)ethanol;2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxo-6-(2,3,4,5,6-pentahydroxyhexoxy)anthracene-1-carboxylic acid","","CC1=CC(=C(C2=C1C(=O)C3=C(C2=O)C(=C(C(=C3O)OCC(C(C(C(CO)O)O)O)O)O)O)C(=O)O)O.C(CNCCO)N","LONNPQYMWXMKTA-UHFFFAOYSA-N","368836",NA,"PDBC13724","640156","Present"
-"2-(2-Aminoethyldiselanyl)ethanamine hydrochloride","","","","","","","","","","","","","","","","","","","","SELENOCYSTAMINE DIHYDROCHLORIDE","","C(C[Se][Se]CCN)N.Cl","PKRYDZYGNSZBHO-UHFFFAOYSA-N","16219946",NA,"PDBC13725","308820","Present"
-"2-(2-Aminoethylsulfanyl)-3-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Aminoethylsulfanyl)-3-phenyl-quinazolin-4-one","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCN","QQKRHHIDYRJRSP-UHFFFAOYSA-N","391591",NA,"PDBC13726","691075","Present"
-"2-(2-Aminopropanamido)-N-(4-(5-bromopyrimidin-2-yloxy)-3-methylphenylcarbamoyl)benzamide, hydrochloride","","","","","","","","","","","","","","","","","","","","2-(2-aminopropanamido)-N-(4-(5-bromopyrimidin-2-yloxy)-3...","","CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)C(C)N)OC3=NC=C(C=N3)Br.Cl","OFZMGVFPIDGXSA-UHFFFAOYSA-N","375121",NA,"PDBC13727","654260","Present"
-"2-(2-Aminothiazol)methylene-5-(p-chlorophenoxy)methylenetria zolo[3,4-b]thiadiazole","","","","","","","","","","","","","","","","","","","","2-(2-Aminothiazol)methylene-5-(p-chlorophenoxy)methylene...","","C1=CC(=CC=C1OCC2=NN=C3N2N=C(S3)CC4=CN=C(S4)N)Cl","VZEXKJJNZAYAHF-UHFFFAOYSA-N","405796",NA,"PDBC13728","723448","Present"
-"2-(2-Aminothiazol)methylene-5-methyltriazolo[3,4-b]thiadiazo le","","","","","","","","","","","","","","","","","","","","2-(2-Aminothiazol)methylene-5-methyltriazolo[3,4-b]thiad...","","CC1=NN=C2N1N=C(S2)CC3=CN=C(S3)N","AHLLKDBBXNCXHE-UHFFFAOYSA-N","405798",NA,"PDBC13729","723450","Present"
-"2-(2-Aminothiazol)methyleneBenzothiazole","","","","","","","","","","","","","","","","","","","","2-(2-Aminothiazol)methyleneBenzothiazole","","C1=CC=C2C(=C1)N=C(S2)CC3=CN=C(S3)N","NJHXHBZEBYSFNI-UHFFFAOYSA-N","405794",NA,"PDBC13730","723446","Present"
-"2-(2-Anilino-6-chloro-7H-purin-7-yl)ethyl acetate","","","","","","","","","","","","","","","","","","","","2-(2-Anilino-6-chloro-7H-purin-7-yl)ethyl acetate","","CC(=O)OCCN1C=NC2=C1C(=NC(=N2)NC3=CC=CC=C3)Cl","ZZJMWVLOJMGRNR-UHFFFAOYSA-N","385888",NA,"PDBC13731","677289","Present"
-"2-(2-Benzamido-6-sulfanyl-purin-7-yl)ethyl benzoate","","","","","","","","","","","","","","","","","","","","2-(2-Benzamido-6-sulfanyl-purin-7-yl)ethyl benzoate","","C1=CC=C(C=C1)C(=O)NC2=NC(=S)C3=C(N2)N=CN3CCOC(=O)C4=CC=CC=C4","LZXNVNAHWSNWGT-UHFFFAOYSA-N","3004224",NA,"PDBC13732","637508","Present"
-"2-(2-Benzimidazolylamino)-4-chloro-6-methylpyrimidine","","","","","","","","","","","","","","","","","","","","5179AJ","","CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3N2)Cl","FQNPYEONCHVKMK-UHFFFAOYSA-N","380614",NA,"PDBC13733","666289","Present"
-"2-(2-Benzoyl-1H-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone","","","","","","","","","","","","","","","","","","","","Ethanone, 2-(2-benzoyl-1H-benzimidazol-1-yl)- 1-(4-chlor...","","C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)Cl","YTSSBNADZGMOBZ-UHFFFAOYSA-N","384460",NA,"PDBC13734","674262","Present"
-"2-(2-Benzoylbenzimidazol-1-yl)-1-(4-fluorophenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(2-Benzoylbenzimidazol-1-yl)-1-(4-fluorophenyl)ethanone","","C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)F","UOMLSIXKPMPUQO-UHFFFAOYSA-N","45029093",NA,"PDBC13735","745451","Present"
-"2-(2-Benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(2-Benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone","","COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=CC=C4","BLEYEEGLQQKZIS-UHFFFAOYSA-N","45029092",NA,"PDBC13736","745450","Present"
-"2-(2-Benzoylbenzimidazol-1-yl)-1-phenyl-ethanone","","","","","","","","","","","","","","","","","","","","CBMicro_030030","","C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=CC=C4","ZJUAZFQIZDHPIY-UHFFFAOYSA-N","384459",NA,"PDBC13737","674261","Present"
-"2-(2-Benzoylphenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2'-benzoylbiphenyl-2-carboxylic acid","","C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O","WAQLLKFBGYDVPQ-UHFFFAOYSA-N","414155",NA,"PDBC13738","55810","Present"
-"2-(2-Benzyl-4-iodophenoxy)-N,N-dimethylethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(2-Benzyl-4-iodophenoxy)-N,N-dimethylethanamine;hydrochloride","","CN(C)CCOC1=C(C=C(C=C1)I)CC2=CC=CC=C2.Cl","KBQURVFFJFNPIT-UHFFFAOYSA-N","5351139",NA,"PDBC13739","11930","Present"
-"2-(2-Bromo-4-methoxy-5-phenylmethoxyphenyl)-1,3-dioxane","","","","","","","","","","","","","","","","","","","","2-(2-Bromo-4-methoxy-5-phenylmethoxyphenyl)-1,3-dioxane","","COC1=C(C=C(C(=C1)Br)C2OCCCO2)OCC3=CC=CC=C3","VWFRTUVWZBXUBN-UHFFFAOYSA-N","359191",NA,"PDBC13740","619873","Present"
-"2-(2-Bromophenyl)-5-phenyl-1,3-oxazole","","","","","","","","","","","","","","","","","","","","2-(2-Bromophenyl)-5-phenyl-1,3-oxazole","","C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3Br","ACHQLEXCQKFTOV-UHFFFAOYSA-N","260020",NA,"PDBC13741","90862","Present"
-"2-(2-Butoxyethoxy)naphthazarin","","","","","","","","","","","","","","","","","","","","2-(2-Butoxyethoxy)naphthazarin","","CCCCOCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","GSNJNWOTIIWHAL-UHFFFAOYSA-N","378624",NA,"PDBC13742","661417","Present"
-"2-(2-Carboxy-1-hydroxy-1-(1-naphthyl)ethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(2-Carboxy-1-hydroxy-1-(1-naphthyl)ethyl)benzoic acid","","C1=CC=C2C(=C1)C=CC=C2C(CC(=O)O)(C3=CC=CC=C3C(=O)O)O","PJMRXAQGJOMRKW-UHFFFAOYSA-N","362061",NA,"PDBC13743","625583","Present"
-"2-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)benzoic acid","","C1CC2=C(C1)C=C(C=C2)CC(CC3=CC=CC=C3C(=O)O)C(=O)O","DSPCLPBEUDYEHB-UHFFFAOYSA-N","382644",NA,"PDBC13744","670292","Present"
-"2-(2-Carboxy-3-(2-methylphenyl)propyl)-5-methylbenzoic acid","","","","","","","","","","","","","","","","","","","","2-(2-Carboxy-3-(2-methylphenyl)propyl)-5-methylbenzoic acid","","CC1=CC(=C(C=C1)CC(CC2=CC=CC=C2C)C(=O)O)C(=O)O","POVNCUGONRRCTM-UHFFFAOYSA-N","385637",NA,"PDBC13745","676984","Present"
-"2-(2-Carboxy-3-(3-methylphenyl)propyl)-3-methylbenzoic acid","","","","","","","","","","","","","","","","","","","","2-(2-Carboxy-3-(3-methylphenyl)propyl)-3-methylbenzoic acid","","CC1=CC(=CC=C1)CC(CC2=C(C=CC=C2C(=O)O)C)C(=O)O","ICZRJOLIWLCKTE-UHFFFAOYSA-N","385639",NA,"PDBC13746","676986","Present"
-"2-(2-Carboxy-3-(3-methylphenyl)propyl)-5-methylbenzoic acid","","","","","","","","","","","","","","","","","","","","2-(2-Carboxy-3-(3-methylphenyl)propyl)-5-methylbenzoic acid","","CC1=CC(=CC=C1)CC(CC2=C(C=C(C=C2)C)C(=O)O)C(=O)O","UORQVXASCFXXRA-UHFFFAOYSA-N","385638",NA,"PDBC13747","676985","Present"
-"2-(2-Carboxy-3-(4-methylphenyl)propyl)-5-methylbenzoic acid","","","","","","","","","","","","","","","","","","","","2-(2-Carboxy-3-(4-methylphenyl)propyl)-5-methylbenzoic acid","","CC1=CC=C(C=C1)CC(CC2=C(C=C(C=C2)C)C(=O)O)C(=O)O","YUWPPKJINGFRLR-UHFFFAOYSA-N","385645",NA,"PDBC13748","676992","Present"
-"2-(2-Carboxy-3-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl)-5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid","","","","","","","","","","","","","","","","","","","","6-[3-Hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-5-carboxylic acid","","C1CCC2=C(C1)C=CC(=C2)CC(CC3=C(C4=C(CCCC4)C=C3)C(=O)O)C(=O)O","AARDSHRCKCKLNM-UHFFFAOYSA-N","385652",NA,"PDBC13749","676998","Present"
-"2-(2-Chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)cyclopentanone","","","","","","","","","","","","","","","","","","","","2-(2-Chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)cyclopentanone","","C1CC(C(=O)C1)C(C(F)(F)Cl)(C(F)(F)Cl)O","WFPLLXTYUHZDIL-UHFFFAOYSA-N","377629",NA,"PDBC13750","659208","Present"
-"2-(2-Chloro-10H-phenothiazin-10-yl)-1-methylethyl methylcarbamate","","","","","","","","","","","","","","","","","","","","2-(2-Chloro-10H-phenothiazin-10-yl)-1-methylethyl methylcarbamate","","CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)OC(=O)NC","MYSHPSQZNPPJAC-UHFFFAOYSA-N","379210",NA,"PDBC13751","663621","Present"
-"2-(2-Chloro-2,2-difluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclohexanone","","","","","","","","","","","","","","","","","","","","2-(2-Chloro-2,2-difluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclohexanone","","C1CCC(=O)C(C1)C(C(F)(F)F)(C(F)(F)Cl)O","MLRKHYPTNSFPMJ-UHFFFAOYSA-N","377628",NA,"PDBC13752","659207","Present"
-"2-(2-Chloro-2-(4-methoxyphenyl)vinyl)-1,4-dimethoxybenzene","","","","","","","","","","","","","","","","","","","","2-(2-Chloro-2-(4-methoxyphenyl)vinyl)-1,4-dimethoxybenzene","","COC1=CC=C(C=C1)C(=CC2=C(C=CC(=C2)OC)OC)Cl","LNPPLMDIUJGMKI-WJDWOHSUSA-N","5467559",NA,"PDBC13753","655912","Present"
-"2-(2-Chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","2-(2-Chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone","","COC1=C(C=C(C(=C1)CC(=O)C2=CNC3=CC=CC=C32)Cl)OC","ODTNOZBHVIUBQB-UHFFFAOYSA-N","266625",NA,"PDBC13754","105348","Present"
-"2-(2-Chloro-4-(4-chlorobenzoyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide","","","","","","","","","","","","","","","","","","","","2-(2-Chloro-4-(4-chlorobenzoyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide","","CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)Cl","LLUOFIFTMAKKFX-UHFFFAOYSA-N","375239",NA,"PDBC13755","654628","Present"
-"2-(2-Chloro-4-(4-chlorobenzoyl)phenoxy)-N-(2-(dimethylamino)ethyl)-2-methylpropanamide","","","","","","","","","","","","","","","","","","","","Propanamide, 2-[4-[[4-chlorophenyl]carbonyl]-2-chlorophe...","","CC(C)(C(=O)NCCN(C)C)OC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)Cl","OFXHVBRKCHCHNV-UHFFFAOYSA-N","378555",NA,"PDBC13756","661193","Present"
-"2-(2-Chloro-5-methylpyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-(2-Chloro-5-methyl-pyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile","","CC1=CN=C(N=C1C(C#N)C2=NC3=CC=CC=C3N2C)Cl","CLPPLRDNIDGYIK-UHFFFAOYSA-N","395227",NA,"PDBC13757","699702","Present"
-"2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=C(C=CC(=C5)[N+](=O)[O-])Cl","RFDIQYMVHMNYQP-UHFFFAOYSA-N","359758",NA,"PDBC13758","621199","Present"
-"2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide","","C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=C(C=CC(=C5)[N+](=O)[O-])Cl","YSEGBBFOGYVBHK-UHFFFAOYSA-N","359788",NA,"PDBC13759","621352","Present"
-"2-(2-Chloro-benzenesulfonylimino)-imidazolidine-1-carbodithi oic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester","","","","","","","","","","","","","","","","","","","","2-(2-Chloro-benzenesulfonylimino)-imidazolidine-1-carbod...","","C1CN(C(=N1)NS(=O)(=O)C2=CC=CC=C2Cl)C(=S)SN3CCN4C3=NSC4=S","AVPKOUBDQYTMQB-UHFFFAOYSA-N","16038016",NA,"PDBC13760","736213","Present"
-"2-(2-Chloro-phenyl)-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3Cl)NC4C(C(C(C(O4)CO)O)O)O","RIQNUVCVXCAYSG-UHFFFAOYSA-N","363483",NA,"PDBC13761","628407","Present"
-"2-(2-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC=CC=C4Cl","UEUHRGKNDXZHEK-UHFFFAOYSA-N","376430",NA,"PDBC13762","657344","Present"
-"2-(2-Chloroanilino)-N-(6-((2-chloroanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-Chloroanilino)-N-(6-((2-chloroanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)C(=O)N1NC(=O)CNC4=CC=CC=C4Cl","NXZCMAIRSLSCGG-UHFFFAOYSA-N","390406",NA,"PDBC13763","687760","Present"
-"2-(2-Chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-d]thiazole-4,9-dione, 2-[(2-chlorophenyl)ami...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=CC=C4Cl","MWTDGRMJCUEONW-UHFFFAOYSA-N","364768",NA,"PDBC13764","631527","Present"
-"2-(2-Chlorobenzoyl)-1,2-benzoxazol-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(2-Chlorobenzoyl)-1,2-benzoxazol-3(2H)-one","","C1=CC=C2C(=C1)C(=O)N(O2)C(=O)C3=CC=CC=C3Cl","VPKRUUBMQCMKER-UHFFFAOYSA-N","337441",NA,"PDBC13765","355375","Present"
-"2-(2-Chlorobenzyl)-3(2H)-cinnolinone","","","","","","","","","","","","","","","","","","","","2-(2-Chlorobenzyl)-3(2H)-cinnolinone","","C1=CC=C(C(=C1)CN2C(=O)C=C3C=CC=CC3=N2)Cl","JIHLCXYLSJAYDC-UHFFFAOYSA-N","368581",NA,"PDBC13766","639677","Present"
-"2-(2-Chlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(2-Chlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carboxylic acid","","CC1=CC2=C(N(N=C2C(=C1C)C(=O)O)CC3=CC=CC=C3Cl)C","IXXFLAKDQPJDHC-UHFFFAOYSA-N","367595",NA,"PDBC13767","637427","Present"
-"2-(2-Chlorobenzyl)succinic acid","","","","","","","","","","","","","","","","","","","","2-(2-Chlorobenzyl)succinic acid","","C1=CC=C(C(=C1)CC(CC(=O)O)C(=O)O)Cl","FTJBLTIWNBZCRC-UHFFFAOYSA-N","228095",NA,"PDBC13768","20707","Present"
-"2-(2-Chloroethoxy)naphthazarin","","","","","","","","","","","","","","","","","","","","2-(2-chloroethoxy)naphthazarin","","C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)OCCCl)O","PBJMPXQYIFEZNK-UHFFFAOYSA-N","378770",NA,"PDBC13769","661940","Present"
-"2-(2-Chloroethyl)-3-methyl-1-((triphenylphosphoranylidene)amino)pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(2-Chloroethyl)-3-methyl-1-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C#N","JTCOKXBPQAUCQI-UHFFFAOYSA-N","377274",NA,"PDBC13770","658527","Present"
-"2-(2-Chloroethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(2-Chloroethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCCl","HNKIYCZXANRAMC-UHFFFAOYSA-N","377271",NA,"PDBC13771","658524","Present"
-"2-(2-Chlorophenoxy)-N-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenoxy)-N-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)propanamide","","CC(C(=O)NN1C(=O)CC(=O)NC1=S)OC2=CC=CC=C2Cl","GVMHPIOEAXNNKO-UHFFFAOYSA-N","5470729",NA,"PDBC13772","704801","Present"
-"2-(2-Chlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide","","CC(C(=O)NN1C(=O)CC(=O)N(C1=S)C2=CC=CC=C2)OC3=CC=CC=C3Cl","CJOACCOOSXUUFU-UHFFFAOYSA-N","397266",NA,"PDBC13773","704794","Present"
-"2-(2-Chlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide","","CC(C(=O)NN1C(SCC1=O)C2=CC=CC=C2)OC3=CC=CC=C3Cl","UGFCCGKPYLFONG-UHFFFAOYSA-N","397257",NA,"PDBC13774","704785","Present"
-"2-(2-Chlorophenoxy)-N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenoxy)-N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide","","CC(C(=O)NN1C(SCC1=O)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3Cl","MMOJOYYBEUMETD-UHFFFAOYSA-N","397259",NA,"PDBC13775","704787","Present"
-"2-(2-Chlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide","","CC(C(=O)NN1C(SCC1=O)C2=CC=C(C=C2)OC)OC3=CC=CC=C3Cl","NFCNCVXOSGLPQP-UHFFFAOYSA-N","397258",NA,"PDBC13776","704786","Present"
-"2-(2-Chlorophenoxy)-N-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenoxy)-N-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide","","CC(C(=O)NN1C(=O)CC(=O)N(C1=S)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3Cl","VBIXKRWOKIDSTJ-UHFFFAOYSA-N","397267",NA,"PDBC13777","704795","Present"
-"2-(2-Chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","4(1H)-Quinazolinone, 2-(2-chlorophenyl)-2,3-dihydro-","","C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2)Cl","YTAHHRUYKJSTCG-UHFFFAOYSA-N","300570",NA,"PDBC13778","175633","Present"
-"2-(2-Chlorophenyl)-3(2H)-cinnolinone","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenyl)-3(2H)-cinnolinone","","C1=CC=C(C(=C1)N2C(=O)C=C3C=CC=CC3=N2)Cl","QEVBOLYDGREUQX-UHFFFAOYSA-N","368583",NA,"PDBC13779","639679","Present"
-"2-(2-Chlorophenyl)-3-[5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-Triazol-2-yl-methyl-2-[2?,(2??-chlorophenyl)-thiazolid...","","C1C(=O)N(C(S1)C2=CC=CC=C2Cl)C3=NN=C(O3)CN4C=NN=C4","YXGDFKBSAOSCJC-UHFFFAOYSA-N","45029357",NA,"PDBC13780","746513","Present"
-"2-(2-Chlorophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3Cl)C4=NN=C(S4)C(F)(F)F","GWKFUYINVWYZCH-UHFFFAOYSA-N","330525",NA,"PDBC13781","319460","Present"
-"2-(2-Chlorophenyl)-4,5-bis(trifluoromethyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenyl)-4,5-bis(trifluoromethyl)-1H-imidazole","","C1=CC=C(C(=C1)C2=NC(=C(N2)C(F)(F)F)C(F)(F)F)Cl","KQEHUOWAXACTLJ-UHFFFAOYSA-N","357611",NA,"PDBC13782","617135","Present"
-"2-(2-Chlorophenyl)-4-phenyl-2,3-benzodiazocin-1(2H)-one","","","","","","","","","","","","","","","","","","","","2-(2-Chlorophenyl)-4-phenyl-2,3-benzodiazocin-1(2H)-one","","C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C3C=C2)C4=CC=CC=C4Cl","ZAROSUOTGVTDJF-DDDDRTNFSA-N","9571516",NA,"PDBC13783","676437","Present"
-"2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-...","","CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O","BIIVYFLTOXDAOV-UHFFFAOYSA-N","5466794",NA,"PDBC13784","642740","Present"
-"2-(2-Chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine","","","","","","","","","","","","","","","","","","","","N4-isobutyl-2-(2-chlorophenyl)-4-quinazolinamine 2-(2-ch...","","CC(C)CNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl","KGTBIDTZMFCMBK-UHFFFAOYSA-N","727473",NA,"PDBC13785","727896","Present"
-"2-(2-Cyclohexylethyl)-5-chlorobenzoxazole","","","","","","","","","","","","","","","","","","","","2-(2-Cyclohexylethyl)-5-chlorobenzoxazole","","C1CCC(CC1)CCC2=NC3=C(O2)C=CC(=C3)Cl","ICDWPKGFAQYKRM-UHFFFAOYSA-N","401574",NA,"PDBC13786","715269","Present"
-"2-(2-Dimethylaminoethylamino)-4,6-bis(2-thienyl)pyrimidine","","","","","","","","","","","","","","","","","","","","4,6-diThien-2-yl-2-NHEtNMe2-Pyr","","CN(C)CCNC1=NC(=CC(=N1)C2=CC=CS2)C3=CC=CS3","BGOGHNWIVJZOSC-UHFFFAOYSA-N","148142",NA,"PDBC13787","619010","Present"
-"2-(2-Ethoxy-1,5,6-trimethoxyphenanthren-4-yl)ethyl-trimethylazanium;methyl sulfate","","","","","","","","","","","","","","","","","","","","2-(2-Ethoxy-1,5,6-trimethoxyphenanthren-4-yl)ethyl-trimethylazanium;methyl sulfate","","CCOC1=C(C2=C(C(=C1)CC[N+](C)(C)C)C3=C(C=C2)C=CC(=C3OC)OC)OC.COS(=O)(=O)[O-]","DBRTWHYKJDTQOD-UHFFFAOYSA-M","24201960",NA,"PDBC13788","611267","Present"
-"2-(2-Ethoxy-1-naphthylamino)-2-oxazoline","","","","","","","","","","","","","","","","","","","","LS-100731","","CCOC1=C(C2=CC=CC=C2C=C1)NC3=NCCO3","VNZRSIDFGDZTFD-UHFFFAOYSA-N","379569",NA,"PDBC13789","664255","Present"
-"2-(2-Ethoxy-phenyl)-naphtho[2,3-d]thiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(2-Ethoxy-phenyl)-naphtho[2,3-d]thiazole-4,9-dione","","CCOC1=CC=CC=C1C2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","GOUFDSJOPONWJD-UHFFFAOYSA-N","377057",NA,"PDBC13790","658272","Present"
-"2-(2-Ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","4(1h)-quinazolinone, 2-(2-ethoxyphenyl)-2,3-dihydro-","","CCOC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2","DQLSLPJRMDWSKV-UHFFFAOYSA-N","292560",NA,"PDBC13791","158389","Present"
-"2-(2-Ethyl-6-propan-2-ylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione;perchlorate","","","","","","","","","","","","","","","","","","","","2-(2-Ethyl-6-propan-2-ylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione;perchlorate","","CCC1=C(C(=CC=C1)C(C)C)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[O-]Cl(=O)(=O)=O","ZMTCPDWBWZPDAG-UHFFFAOYSA-N","24202023",NA,"PDBC13792","618659","Present"
-"2-(2-Ethylsulfanylacetyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one","","","","","","","","","","","","","","","","","","","","2-(2-Ethylsulfanylacetyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one","","CCSCC(=O)N1CCC2=C(C1=O)NC3=CC=CC=C23","ISFWVQVTMBDRCW-UHFFFAOYSA-N","397437",NA,"PDBC13793","705295","Present"
-"2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine 1,1-dioxide","","C1C(NC2=CC=CC=C2S(=O)(=O)C1C3=CC=CC=C3F)C4=CC5=CC=CC=C5C=C4","SYCYJRTVAZFXCY-UHFFFAOYSA-N","364780",NA,"PDBC13794","631539","Present"
-"2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5F","WXTPJZLDXSZFPY-UHFFFAOYSA-N","359787",NA,"PDBC13795","621351","Present"
-"2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","C1C(S(=O)C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5F","ZRQRKPMINIZJOZ-UHFFFAOYSA-N","364773",NA,"PDBC13796","631532","Present"
-"2-(2-Fluorophenyl)-5,7-dimethoxy-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Fluorophenyl)-5,7-dimethoxy-1H-quinolin-4-one","","COC1=CC2=C(C(=C1)OC)C(=O)C=C(N2)C3=CC=CC=C3F","YIHGHKXHZNIWTL-UHFFFAOYSA-N","391312",NA,"PDBC13797","690275","Present"
-"2-(2-Fluorophenyl)-6,7-dimethoxy-3,4-dihydroquinazoline-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Fluorophenyl)-6,7-dimethoxy-1H-quinazolin-4-one","","COC1=C(C=C2C(=C1)C(=O)NC(=N2)C3=CC=CC=C3F)OC","XBRGEODPHAXHBK-UHFFFAOYSA-N","135489884",NA,"PDBC13798","690278","Present"
-"2-(2-Fluorophenyl)-6-(pyrrolidin-1-yl)quinolin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(2''-fluorophenyl)-6-pyrolinyl-4-(1H)-quinolone","","C1CCN(C1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4F","KFKXUFWYUQWHNT-UHFFFAOYSA-N","391311",NA,"PDBC13799","690274","Present"
-"2-(2-Furyl)-2-hydroxy-1-(3-hydroxy-2-quinoxalinyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(2-Furyl)-2-hydroxy-1-(3-hydroxy-2-quinoxalinyl)ethanone","","C1=CC=C2C(=C1)NC(=O)C(=N2)C(=O)C(C3=CC=CO3)O","DZQUYVCORFMJPN-UHFFFAOYSA-N","372451",NA,"PDBC13800","647576","Present"
-"2-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4a,7a-dihydro-4h-furo[3,4-b]pyridine-5,7-dione","","","","","","","","","","","","","","","","","","","","2-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4a,7a-dihydro-4h-furo[3,4-b]pyridine-5,7-dione","","C1=CC=C(C(=C1)C2C=C(N(C3C2C(=O)OC3=O)C4=CC=NC=C4)C5=CC=CO5)[N+](=O)[O-]","DFISPJSMZMAQTE-UHFFFAOYSA-N","392301",NA,"PDBC13801","692577","Present"
-"2-(2-Furylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(2-furylcarboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophe...","","C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)O","LHKGDPIDTTUWLQ-UHFFFAOYSA-N","723177",NA,"PDBC13802","730204","Present"
-"2-(2-Heptadecyl-5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropan-1-ol","","","","","","","","","","","","","","","","","","","","2-(2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1h-imidazol-1-yl)-2-methylpropan-1-ol","","CCCCCCCCCCCCCCCCCC1=NC(CN1C(C)(C)CO)(C)C","WVQBZUKUDNIVMK-UHFFFAOYSA-N","226869",NA,"PDBC13803","17762","Present"
-"2-(2-Heptadecyl-5,5-dimethyl-4H-imidazol-3-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-(2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1H-imidazol-1-yl)ethanol","","CCCCCCCCCCCCCCCCCC1=NC(CN1CCO)(C)C","HRLDXKYLDOLMBF-UHFFFAOYSA-N","226864",NA,"PDBC13804","17754","Present"
-"2-(2-Hexahydro-1-pyrazinylethyl)-6-[4-[2-(2-hexahydro-1-pyra zinylethyl)-1,3-dihydro-1H-benzo[de]isoquinolin-6-yl]hexahydro-1-pyrazinyl}-2,3-dihyudro-1H-benzo[de]isoquinol ine-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(2-hexahydro-1-pyrazinylethyl)-6-[4-[2-(2-hexahydro-1-...","","C1CN(CCN1)CCN2C(=O)C3=C4C(=C(C=C3)N5CCN(CC5)C6=C7C=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCN9CCNCC9)C=CC=C4C2=O","ACJSPSJJRDOWBP-UHFFFAOYSA-N","24205463",NA,"PDBC13805","735821","Present"
-"2-(2-Hexylpiperidin-1-yl)-1,2-diphenylethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(2-Hexylpiperidin-1-yl)-1,2-diphenylethanol;hydrochloride","","CCCCCCC1CCCCN1C(C2=CC=CC=C2)C(C3=CC=CC=C3)O.Cl","XRSZIOGRVNBEDJ-UHFFFAOYSA-N","54609389",NA,"PDBC13806","36704","Present"
-"2-(2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethylidene)hydrazinecarboximidamide","","","","","","","","","","","","","","","","","","","","1-[(E)-[2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]guanidine","","C1=CC(=CC=C1C(C(=NN=C(N)N)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)[N+](=O)[O-]","BNYLDSTYMGXKHZ-LPYMAVHISA-N","135499166",NA,"PDBC13807","641613","Present"
-"2-(2-Hydroxy-1-methylethyl)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3,5-naphthalenetriol","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxy-1-methylethyl)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3,5-naphthalenetriol","","CC1=C2C(C(C(CC2(C(CC1)O)C)O)C(C)CO)O","XYGKENPRHUXDKU-UHFFFAOYSA-N","363771",NA,"PDBC13808","628978","Present"
-"2-(2-Hydroxy-1-naphthyl)acetic acid","","","","","","","","","","","","","","","","","","","","ALBB-028248","","C1=CC=C2C(=C1)C=CC(=C2CC(=O)O)O","JXCXDZUOPZXGIA-UHFFFAOYSA-N","294566",NA,"PDBC13809","163339","Present"
-"2-(2-Hydroxy-1-phenylindol-3-yl)indol-3-one","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxy-1-phenylindol-3-yl)indol-3-one","","C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2O)C4=NC5=CC=CC=C5C4=O","CCSRIMOXXXGPEB-UHFFFAOYSA-N","403161",NA,"PDBC13810","717812","Present"
-"2-(2-Hydroxy-2-(4-pyridinyl)vinyl)-3,6-diphenyl-4(3H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxy-2-(4-pyridinyl)vinyl)-3,6-diphenyl-4(3H)-pyrimidinone","","C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)C=C(C3=CC=NC=C3)O)C4=CC=CC=C4","ZNGDKKCACHZZCK-PGMHBOJBSA-N","135510107",NA,"PDBC13811","632906","Present"
-"2-(2-Hydroxy-3,4-dihydro-1H-naphthalen-2-yl)-N,N-bis[(4-methoxyphenyl)methyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxy-3,4-dihydro-1H-naphthalen-2-yl)-N,N-bis[(4-methoxyphenyl)methyl]acetamide","","COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=O)CC3(CCC4=CC=CC=C4C3)O","SXPDMOSAXIIXHD-UHFFFAOYSA-N","393629",NA,"PDBC13812","695837","Present"
-"2-(2-Hydroxy-3-morpholino-propyl)sulfanyl-4-morpholino-6-phenyl-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxy-3-morpholino-propyl)sulfanyl-4-morpholino-6-phenyl-pyrimidine-5-carbonitrile","","C1COCCN1CC(CSC2=NC(=C(C(=N2)N3CCOCC3)C#N)C4=CC=CC=C4)O","XVBPHNRNGMNJTB-UHFFFAOYSA-N","45028927",NA,"PDBC13813","744860","Present"
-"2-(2-Hydroxy-4-(methoxymethoxy)phenyl)-6-(methoxymethoxy)-3-methyl-2,3-dihydro-1-benzofuran-2-ol","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxy-4-(methoxymethoxy)phenyl)-6-(methoxymethoxy)-3-methyl-2,3-dihydro-1-benzofuran-2-ol","","CC1C2=C(C=C(C=C2)OCOC)OC1(C3=C(C=C(C=C3)OCOC)O)O","AFZNGIUUSDOHOB-UHFFFAOYSA-N","377465",NA,"PDBC13814","658922","Present"
-"2-(2-Hydroxy-5-propan-2-yl-1H-indol-3-yl)indol-3-one","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxy-5-propan-2-yl-1H-indol-3-yl)indol-3-one","","CC(C)C1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O","DLVGCKBWPUCTRQ-UHFFFAOYSA-N","403174",NA,"PDBC13815","717827","Present"
-"2-(2-Hydroxybenzoyl)-2-methyl-N-propyl-4-pentenamide","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxybenzoyl)-2-methyl-N-propyl-4-pentenamide","","CCCNC(=O)C(C)(CC=C)C(=O)C1=CC=CC=C1O","JDEUOAGGIIUPEU-UHFFFAOYSA-N","362781",NA,"PDBC13816","627058","Present"
-"2-(2-Hydroxycyclohexyl)sulfanylethylurea","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxycyclohexyl)sulfanylethylurea","","C1CCC(C(C1)O)SCCNC(=O)N","LPJFDYCMMGHABD-UHFFFAOYSA-N","252277",NA,"PDBC13817","73827","Present"
-"2-(2-Hydroxyethyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxyethyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one","","C1CNC2=NN(C(=O)N2C1)CCO","VBBHCNJXARGZNC-UHFFFAOYSA-N","385166",NA,"PDBC13818","676173","Present"
-"2-(2-Hydroxyethyl)-2,3-dimethyl-1-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxyethyl)-2,3-dimethyl-1-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1(C)CCO)C#N","NGYLOTNRXJUIJP-UHFFFAOYSA-N","380600",NA,"PDBC13819","666275","Present"
-"2-(2-Hydroxyethyl)-6-(4-imidazol-1-ylphenyl)pyridazin-3-one","","","","","","","","","","","","","","","","","","","","3(2H)-Pyridazinone, 2-(2-hydroxyethyl)-6-[4-(1H-imidazol...","","C1=CC(=CC=C1C2=NN(C(=O)C=C2)CCO)N3C=CN=C3","AAVUSVRIMQSDMX-UHFFFAOYSA-N","377336",NA,"PDBC13820","658773","Present"
-"2-(2-Hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one","","COC1=CC=C(C=C1)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO","WNGNHYKRYHCSIR-UHFFFAOYSA-N","54579201",NA,"PDBC13821","751502","Present"
-"2-(2-Hydroxyethylsulfanyl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 2-[(2-hydroxyethyl)thio]-","","C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCCO","IBLOZMPODBITIK-UHFFFAOYSA-N","288087",NA,"PDBC13822","148596","Present"
-"2-(2-Hydroxynaphthalen-1-yl)-3-[6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxynaphthalen-1-yl)-3-[6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl]-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=C(C=CC3=CC=CC=C32)O)N4C(=O)C(=NNC4=S)C=CC5=C(C=CC6=CC=CC=C65)O","HSYNAUWLYUEBBP-VAWYXSNFSA-N","135436155",NA,"PDBC13823","710579","Present"
-"2-(2-Hydroxyphenyl)-3,5-diphenyl-thiazol-3-ium-4-ol","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxyphenyl)-3,5-diphenyl-thiazol-3-ium-4-ol","","C1=CC=C(C=C1)C2=C(N(C(=C3C=CC=CC3=O)S2)C4=CC=CC=C4)O","RIXGWUCSULWELK-FXBPSFAMSA-N","5387865",NA,"PDBC13824","628696","Present"
-"2-(2-Hydroxyphenyl)-3-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxyphenyl)-3-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=CC=C7O","LSMLQEZFWSGCQA-UHFFFAOYSA-N","398513",NA,"PDBC13825","708424","Present"
-"2-(2-Hydroxyphenyl)-3-[5-(1H-imidazol-1-ylmethyl)-1,4-oxadiazol-2-yl]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-hydroxyphenyl)-3-[5-(1H-imidazol-1-ylmethyl)-1,3,4-...","","C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=NN=C(O3)CN4C=CN=C4","WTLBLYDIWFKBIH-UHFFFAOYSA-N","54613708",NA,"PDBC13826","750493","Present"
-"2-(2-Hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one","","COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC=CC=C3O","ZZXXFILYXOTTJG-UHFFFAOYSA-N","371219",NA,"PDBC13827","645268","Present"
-"2-(2-Hydroxyphenyl)quinoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","STK409516","","C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3O)C(=O)O","CLNACIFBPMMXKX-UHFFFAOYSA-N","371223",NA,"PDBC13828","645280","Present"
-"2-(2-Hydroxypropyl)-5,7-dimethoxy-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxypropyl)-5,7-dimethoxynaphthalene-1,4-dione","","CC(CC1=CC(=O)C2=C(C1=O)C=C(C=C2OC)OC)O","VYRGVJGVZIRPIM-UHFFFAOYSA-N","372270",NA,"PDBC13829","647326","Present"
-"2-(2-Imidazolin-2-yl)-4,5-dimethyl-2H-pyrazol-3-ol","","","","","","","","","","","","","","","","","","","","2-(4,5-Dihydro-1H-imidazol-2-yl)-4,5-dimethyl-1H-pyrazol-3-one","","CC1=C(NN(C1=O)C2=NCCN2)C","VLCFIAATYYGCTE-UHFFFAOYSA-N","388450",NA,"PDBC13830","683377","Present"
-"2-(2-Imidazolin-2-yl)-4-benzyl-5-phenyl-2H-pyrazol-3-ol","","","","","","","","","","","","","","","","","","","","4-Benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-5-phenyl-1H-pyrazol-3-one","","C1CN=C(N1)N2C(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4","IEUSQMCWPYYRIS-UHFFFAOYSA-N","388453",NA,"PDBC13831","683380","Present"
-"2-(2-Imidazolin-2-yl)-5-methyl-4-benzyl-2H-pyrazol-3-ol","","","","","","","","","","","","","","","","","","","","4-Benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one","","CC1=C(C(=O)N(N1)C2=NCCN2)CC3=CC=CC=C3","JAZICFYECITCCJ-UHFFFAOYSA-N","388451",NA,"PDBC13832","683378","Present"
-"2-(2-Imino-4-methyl-benzo[h]chromene-3-carboximidoyl)propanedinitrile","","","","","","","","","","","","","","","","","","","","2-(2-Imino-4-methyl-benzo[h]chromene-3-carboximidoyl)propanedinitrile","","CC1=C(C(=N)OC2=C1C=CC3=CC=CC=C32)C(=N)C(C#N)C#N","WJQVJKAILFHHJV-UHFFFAOYSA-N","332834",NA,"PDBC13833","332186","Present"
-"2-(2-Iodo-3,4,5-trimethoxyphenyl)-2-methyl-1,3-dithiane","","","","","","","","","","","","","","","","","","","","2-(2-Iodo-3,4,5-trimethoxyphenyl)-2-methyl-1,3-dithiane","","CC1(SCCCS1)C2=CC(=C(C(=C2I)OC)OC)OC","DTRRWXMNPYMTEC-UHFFFAOYSA-N","372303",NA,"PDBC13834","647362","Present"
-"2-(2-Isonicotinoylhydrazino)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-Isonicotinoylhydrazino)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide","","C1=CN=CC=C1C(=O)NNC(=O)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl","WRDZXZSWMZLQAZ-UHFFFAOYSA-N","372889",NA,"PDBC13835","648601","Present"
-"2-(2-Mercaptoanilino)benzonitrile","","","","","","","","","","","","","","","","","","","","2-(2-Mercaptoanilino)benzonitrile","","C1=CC=C(C(=C1)C#N)NC2=CC=CC=C2S","DANJNCZFHIQPFN-UHFFFAOYSA-N","366234",NA,"PDBC13836","634570","Present"
-"2-(2-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one","","CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=CC=C3OC)C","OFDKYUNSSDGJFN-UHFFFAOYSA-N","5468701",NA,"PDBC13837","674683","Present"
-"2-(2-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4-ol","","CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC=C3OC","XIXVOSMVHPVEEW-UHFFFAOYSA-N","385189",NA,"PDBC13838","676193","Present"
-"2-(2-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3OC","HEFSDKCWCBOPGI-UHFFFAOYSA-N","5468700",NA,"PDBC13839","674682","Present"
-"2-(2-Methoxyanilino)-N-(6-((2-methoxyanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyanilino)-N-(6-((2-methoxyanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC)C(=O)N1NC(=O)CNC4=CC=CC=C4OC","WRGTZHNGLZYYFR-UHFFFAOYSA-N","390404",NA,"PDBC13840","687758","Present"
-"2-(2-Methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine","","CC1=C(C(CCC1)(C)C)C=CC(=CC2=NC(=CC(=C2)C)OCCOC)C","HNRHZJAVVSLQCH-XYJQQDCNSA-N","5387556",NA,"PDBC13841","624509","Present"
-"2-(2-Methoxyethyl)-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium","","","","","","","","","","","","","","","","","","","","2-(2-methoxyethyl)-1,3-bis(naphthalen-2-ylmethyl)benzo[d...","","COCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","MNGUVGHQNWBVSC-UHFFFAOYSA-N","134149334",NA,"PDBC13842","791484","Present"
-"2-(2-Methoxynaphthalen-1-yl)-1,2,3,4-tetrahydroquinazolin-4-one","","","","","","","","","","","","","","","","","","","","4(1H)-Naphthalenone, 2,3-dihydro-2-(2-methoxy-1-naphthal...","","COC1=C(C2=CC=CC=C2C=C1)C3NC4=CC=CC=C4C(=O)N3","YVJMAMMDKUHGQD-UHFFFAOYSA-N","300576",NA,"PDBC13843","175639","Present"
-"2-(2-Methoxynaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole","","","","","","","","","","","","","","","","","","","","Oxazole, 4,5-dihydro-2-(2-methoxy-1-naphthalenyl)-4,4-dimethyl-","","CC1(COC(=N1)C2=C(C=CC3=CC=CC=C32)OC)C","LPTAWCRECCXSAJ-UHFFFAOYSA-N","370780",NA,"PDBC13844","644303","Present"
-"2-(2-Methoxyphenyl)-1,8-naphthyridin-4-ol","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyphenyl)-1,8-naphthyridin-4-ol","","COC1=CC=CC=C1C2=CC(=O)C3=C(N2)N=CC=C3","DUQKMZGCYQDTGO-UHFFFAOYSA-N","384637",NA,"PDBC13845","674680","Present"
-"2-(2-Methoxyphenyl)-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyphenyl)quinolin-4(1H)-one","","COC1=CC=CC=C1C2=CC(=O)C3=CC=CC=C3N2","JKXZIPYJASZHQE-UHFFFAOYSA-N","375360",NA,"PDBC13846","654984","Present"
-"2-(2-Methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyphenyl)-3-(4-methylphenyl)-2,3-dihydro[1,2,4]triazolo[5,1-b]quinazolin-9(1h)-one","","CC1=CC=C(C=C1)N2C(NN3C2=NC4=CC=CC=C4C3=O)C5=CC=CC=C5OC","GOKBWHWDCUHAMG-UHFFFAOYSA-N","402186",NA,"PDBC13847","716050","Present"
-"2-(2-Methoxyphenyl)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","STK325808","","COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)N2","DWMWFLPOXYGDND-UHFFFAOYSA-N","135436005",NA,"PDBC13848","684364","Present"
-"2-(2-Methoxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=CC=C3OC","CZQABNQCXSYFIY-UHFFFAOYSA-N","364118",NA,"PDBC13849","629787","Present"
-"2-(2-Methoxyphenyl)-6-methyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one","","CC1=CC2=C(NC(=CC2=O)C3=CC=CC=C3OC)N=C1","KUZUVPBLDUCRIZ-UHFFFAOYSA-N","384638",NA,"PDBC13850","674681","Present"
-"2-(2-Methoxystyryl)benzoxazole","","","","","","","","","","","","","","","","","","","","2-(2-Methoxystyryl)benzoxazole","","COC1=CC=CC=C1C=CC2=NC3=CC=CC=C3O2","JTPZLYMQGYHBGZ-ZHACJKMWSA-N","5779630",NA,"PDBC13851","661959","Present"
-"2-(2-Methyl-1-naphthylamino)-2-oxazoline","","","","","","","","","","","","","","","","","","","","LS-100742","","CC1=C(C2=CC=CC=C2C=C1)NC3=NCCO3","MJKOTIUTQZMRJL-UHFFFAOYSA-N","218360",NA,"PDBC13852","664256","Present"
-"2-(2-Methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-(2-Methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione","","CC1=C(C2=CC=CC=C2N1)C3=CC(=O)C=CC3=O","SYIXSZIGHISTNJ-UHFFFAOYSA-N","238781",NA,"PDBC13853","43317","Present"
-"2-(2-Methyl-2-nitropropoxy)bornane","","","","","","","","","","","","","","","","","","","","2-(2-METHYL-2-NITROPROPOXY)BORNANE","","CC1(C2CCC1(C(C2)OCC(C)(C)[N+](=O)[O-])C)C","BJPQXEZVCKJQEG-UHIISALHSA-N","219796",NA,"PDBC13854","1482","Present"
-"2-(2-Methyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]dioxol-2-yl)acetic acid; phenylmethanamine","","","","","","","","","","","","","","","","","","","","2-(2-Methyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]dioxol-2-yl)acetic acid; phenylmethanamine","","CC1(OC2CCCCCC2O1)CC(=O)O.C1=CC=C(C=C1)CN","SJDVMIRZQJNOMT-UHFFFAOYSA-N","273860",NA,"PDBC13855","119531","Present"
-"2-(2-Methyl-4-nitroimidazol-1-yl)ethanimidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC648885","","CC1=NC(=CN1CC(=N)N)[N+](=O)[O-].Cl","AVZDUGWRTGMENO-UHFFFAOYSA-N","373052",NA,"PDBC13856","648885","Present"
-"2-(2-Methylaminoethyl)pyridine Nitric Oxide Adduct","","","","","","","","","","","","","","","","","","","","2-(2-methylaminoethyl)pyridine Nitric Oxide Adduct","","CNCCC1=CC=CC=N1.CN(CCC1=CC=CC=N1)[N+](=NO)[O-]","IFLYKVHSFHXGSR-BBJSDXRSSA-N","135484809",NA,"PDBC13857","634216","Present"
-"2-(2-Methylanilino)benzo[f][1,3]benzothiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphth[2,3-d]thiazole-4,9-dione, 2-[(2-methylphenyl)amino]-","","CC1=CC=CC=C1NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","ZLWPEZFJCGSXES-UHFFFAOYSA-N","361024",NA,"PDBC13858","623758","Present"
-"2-(2-Methylbenzyl)-3(2H)-cinnolinone","","","","","","","","","","","","","","","","","","","","2-(2-Methylbenzyl)-3(2H)-cinnolinone","","CC1=CC=CC=C1CN2C(=O)C=C3C=CC=CC3=N2","ALHDHUPGBVGRKL-UHFFFAOYSA-N","368582",NA,"PDBC13859","639678","Present"
-"2-(2-Methylphenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","2-(2-Methylphenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide","","CC1=CC=CC=C1OC(C)C(=O)NN2C(SCC2=O)C3=CC=CC=C3","FFJUDQDGCKOKOG-UHFFFAOYSA-N","397263",NA,"PDBC13860","704791","Present"
-"2-(2-Methylphenoxy)-N-[3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide","","","","","","","","","","","","","","","","","","","","2-(2-Methylphenoxy)-N-[3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide","","CC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=S)NC(=O)C(C)OC3=CC=CC=C3C","UHEKFFPRIAJIKL-UHFFFAOYSA-N","397271",NA,"PDBC13861","704799","Present"
-"2-(2-Methylphenyl)-2,3-dihydro-4H-chromeno(2,3-d)pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","4H-[1]Benzopyrano[2,3-d]pyrimidine-4-one, 2,3-dihydro-2-...","","CC1=CC=CC=C1C2NC(=O)C3=CC4=CC=CC=C4OC3=N2","ALLSYZMZJAHIPJ-UHFFFAOYSA-N","333612",NA,"PDBC13862","336032","Present"
-"2-(2-Methylpropoxy)-1,3-benzodithiole","","","","","","","","","","","","","","","","","","","","1,3-Benzodithiol-2-yl 2-methylpropyl ether","","CC(C)COC1SC2=CC=CC=C2S1","RIFYIHGDUGGDSN-UHFFFAOYSA-N","360877",NA,"PDBC13863","623560","Present"
-"2-(2-Morpholin-4-ylethyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[2-(Morpholin-4-yl)ethyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione","","C1COCCN1CCN2C(=O)C3CC4=CC=CC=C4CN3C2=O","LSGZWIRCSAOQCO-UHFFFAOYSA-N","372521",NA,"PDBC13864","647655","Present"
-"2-(2-Morpholin-4-ylethyl)-5,10-dioxido-1,3-dihydropyrrolo[3,4-i]phenazine-5,10-diium-6-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(2-Morpholin-4-ylethyl)-5,10-dioxido-1,3-dihydropyrrolo[3,4-i]phenazine-5,10-diium-6-ol;hydrochloride","","C1COCCN1CCN2CC3=CC4=[N+](C5=C(C(=CC=C5)O)[N+](=C4C=C3C2)[O-])[O-].Cl","PICHGFGTVURUPW-UHFFFAOYSA-N","135455545",NA,"PDBC13865","614633","Present"
-"2-(2-Morpholinopropionylamino)-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-morpholinopropanoylamino)thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)C(C)N2CCOCC2","KVZMJBOOXFLKCI-UHFFFAOYSA-N","396832",NA,"PDBC13866","703836","Present"
-"2-(2-Naphthalen-2-yl-2-oxoethyl)-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","5-[2-(Naphthalen-2-yl)-2-oxoethyl]furan-2(5H)-one","","C1=CC=C2C=C(C=CC2=C1)C(=O)CC3C=CC(=O)O3","XOEHJPDLDZFILE-UHFFFAOYSA-N","366299",NA,"PDBC13867","634650","Present"
-"2-(2-Naphthyl)-1-thiaindene","","","","","","","","","","","","","","","","","","","","2-(2-Naphthyl)-1-thiaindene","","C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4S3","VXNMJAGOXHIGRF-UHFFFAOYSA-N","253238",NA,"PDBC13868","75894","Present"
-"2-(2-Naphthyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","2-(2-Naphthyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5","IZKQUXVZUPLRGB-UHFFFAOYSA-N","388200",NA,"PDBC13869","682768","Present"
-"2-(2-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(2-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one","","CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC4=CC=CC=C4C=C3)C","BIJWLTRMYLRXEA-UHFFFAOYSA-N","5468909",NA,"PDBC13870","679021","Present"
-"2-(2-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(2-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one","","CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC4=CC=CC=C4C=C3","QEUHGQVYHUYTFM-UHFFFAOYSA-N","386570",NA,"PDBC13871","679018","Present"
-"2-(2-Naphthyl)-6,7-dimethoxy-3,4-dihydroquinazoline-4-one","","","","","","","","","","","","","","","","","","","","6,7-Dimethoxy-2-(2-naphthyl)-1h-quinazolin-4-one","","COC1=C(C=C2C(=C1)C(=O)NC(=N2)C3=CC4=CC=CC=C4C=C3)OC","ZPTFTBKDCIAKOQ-UHFFFAOYSA-N","135428144",NA,"PDBC13872","690279","Present"
-"2-(2-Naphthyl)-6-chloro-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(2-Naphthyl)-6-chloro-1,8-naphthyridin-4(1H)-one","","C1=CC=C2C=C(C=CC2=C1)C3=CC(=O)C4=C(N3)N=CC(=C4)Cl","LDPMRGMHKRNFMQ-UHFFFAOYSA-N","386574",NA,"PDBC13873","679022","Present"
-"2-(2-Naphthyl)-6-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(2-Naphthyl)-6-methyl-1,8-naphthyridin-4(1H)-one","","CC1=CC2=C(NC(=CC2=O)C3=CC4=CC=CC=C4C=C3)N=C1","ZLYSKFYZBYRVSU-UHFFFAOYSA-N","386571",NA,"PDBC13874","679019","Present"
-"2-(2-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(2-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC4=CC=CC=C4C=C3","DLKWDNZHLDGWPT-UHFFFAOYSA-N","5468908",NA,"PDBC13875","679020","Present"
-"2-(2-Naphthyl)ethyl 3,4-dihydroxycinnamate","","","","","","","","","","","","","","","","","","","","2-(2-Naphthyl)ethyl 3,4-dihydroxycinnamate","","C1=CC=C2C=C(C=CC2=C1)CCOC(=O)C=CC3=CC(=C(C=C3)O)O","ZGKHGLDXKKYROF-JXMROGBWSA-N","5468518",NA,"PDBC13876","671183","Present"
-"2-(2-Naphthylsulfonylsulfanyl)-4,5-dihydro-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(2-Naphthylsulfonylsulfanyl)-4,5-dihydro-1H-imidazole","","C1CN=C(N1)SS(=O)(=O)C2=CC3=CC=CC=C3C=C2","NKGWMMNTMFDLMC-UHFFFAOYSA-N","389916",NA,"PDBC13877","686567","Present"
-"2-(2-Nitro-1H-imidazol-1-yl)acetic acid","","","","","","","","","","","","","","","","","","","","AK153978","","C1=CN(C(=N1)[N+](=O)[O-])CC(=O)O","TYDGDUVFDYKZMY-UHFFFAOYSA-N","327544",NA,"PDBC13878","302988","Present"
-"2-(2-Nitroimidazol-1-yl)-1-phenyl-ethanol","","","","","","","","","","","","","","","","","","","","2-(2-Nitro-1H-imidazol-1-yl)-1-phenylethanol","","C1=CC=C(C=C1)C(CN2C=CN=C2[N+](=O)[O-])O","SYUQHCRLRZLERL-UHFFFAOYSA-N","370715",NA,"PDBC13879","644217","Present"
-"2-(2-Nitroimidazol-1-yl)-1-phenyl-ethanone","","","","","","","","","","","","","","","","","","","","2-(2-Nitroimidazol-1-yl)-1-phenyl-ethanone","","C1=CC=C(C=C1)C(=O)CN2C=CN=C2[N+](=O)[O-]","VPNVYDWYNWDEMU-UHFFFAOYSA-N","327482",NA,"PDBC13880","302651","Present"
-"2-(2-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","OBXPKGBBVTUGBN-UHFFFAOYSA-N","384570",NA,"PDBC13881","674584","Present"
-"2-(2-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","FUXKSXVOGYFNLS-UHFFFAOYSA-N","384555",NA,"PDBC13882","674569","Present"
-"2-(2-Nitrophenyl)butanedioic acid","","","","","","","","","","","","","","","","","","","","o-nitrophenyl succinic acid","","C1=CC=C(C(=C1)C(CC(=O)O)C(=O)O)[N+](=O)[O-]","REWALNXOIYDJFF-UHFFFAOYSA-N","236350",NA,"PDBC13883","38777","Present"
-"2-(2-Nitrovinyl)-1H-indole","","","","","","","","","","","","","","","","","","","","2-(2-Nitrovinyl)-1H-indole","","C1=CC=C2C(=C1)C=C(N2)C=C[N+](=O)[O-]","ZUQXVMIIRIIGTQ-AATRIKPKSA-N","5382764",NA,"PDBC13884","150982","Present"
-"2-(2-Oxo-1,3-benzoxazol-3(2H)-yl)-N,N-diphenylacetamide","","","","","","","","","","","","","","","","","","","","2-(2-Oxo-1,3-benzoxazol-3(2H)-yl)-N,N-diphenylacetamide","","C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4OC3=O","YGSRXAUCWIDLQX-UHFFFAOYSA-N","391448",NA,"PDBC13885","690652","Present"
-"2-(2-Oxobenzo[e]1,4-thiazin-3-yl)-1,3-diphenylpropane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(2-Oxobenzo[e]1,4-thiazin-3-yl)-1,3-diphenylpropane-1,3-dione","","C1=CC=C(C=C1)C(=O)C(C2=NC3=CC=CC=C3SC2=O)C(=O)C4=CC=CC=C4","MKKMVXOROGZJJI-UHFFFAOYSA-N","404246",NA,"PDBC13886","720424","Present"
-"2-(2-Oxochromen-3-yl)ethyl acetate","","","","","","","","","","","","","","","","","","","","2-(2-Oxochromen-3-yl)ethyl acetate","","CC(=O)OCCC1=CC2=CC=CC=C2OC1=O","LAPPZRPGVSNZCR-UHFFFAOYSA-N","250650",NA,"PDBC13887","70309","Present"
-"2-(2-Phenyl-1,3-dioxolan-2-yl)-1H-indole","","","","","","","","","","","","","","","","","","","","2-(2-Phenyl-1,3-dioxolan-2-yl)-1H-indole","","C1COC(O1)(C2=CC=CC=C2)C3=CC4=CC=CC=C4N3","NJPBBWMPVBTCKY-UHFFFAOYSA-N","398267",NA,"PDBC13888","707981","Present"
-"2-(2-Phenyl-1H-indol-1-yl)-N-propylacetamide","","","","","","","","","","","","","","","","","","","","LS-82098","","CCCNC(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3","QQSVVKSJRPBHAI-UHFFFAOYSA-N","381972",NA,"PDBC13889","669282","Present"
-"2-(2-Phenylacetimidamido)Acetic Acid","","","","","","","","","","","","","","","","","","","","2-(2-Phenylacetimidamido)Acetic Acid","","C1=CC=C(C=C1)CC(=NCC(=O)O)N","YDYSNTALSBKAPQ-UHFFFAOYSA-N","231503",NA,"PDBC13890","27895","Present"
-"2-(2-Phenylethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol","","","","","","","","","","","","","","","","","","","","(5Z)-2-(24)-5-(1H-pyrrolo[2,3-b]pyridine-3-ylmethylene)-...///NSC781773","","C1=CC=C(C=C1)CCNC2=NC(=C(S2)C=C3C=NC4=C3C=CC=N4)O","BGDWYKUGZZKWEZ-SDNWHVSQSA-N","155809191",NA,"PDBC13891","781419///781773","Present"
-"2-(2-Phenylquinolin-4-YL)sulfanylacetic acid hydrochloride","","","","","","","","","","","","","","","","","","","","NSC13597","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)SCC(=O)O.Cl","NANAYWLIAWAKPE-UHFFFAOYSA-N","53423158",NA,"PDBC13892","13597","Present"
-"2-(2-Phenylquinolin-4-yl)oxyacetic acid","","","","","","","","","","","","","","","","","","","","(2-Phenyl-4-quinolyl)oxyacetic acid","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)OCC(=O)O","MICODESZTQZIAB-UHFFFAOYSA-N","384484",NA,"PDBC13893","674289","Present"
-"2-(2-Piperidinopropionylamino)-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-(1-piperidyl)propanoylamino]thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)C(C)N2CCCCC2","VSOHQRISZVIYHY-UHFFFAOYSA-N","396833",NA,"PDBC13894","703837","Present"
-"2-(2-Pyridinyl)-1-(4-pyridinyl)-1-propanone","","","","","","","","","","","","","","","","","","","","2-(pyridin-2-yl)-1-(pyridin-4-yl)propan-1-one","","CC(C1=CC=CC=N1)C(=O)C2=CC=NC=C2","RXIQIWCMEYWGSF-UHFFFAOYSA-N","238336",NA,"PDBC13895","42665","Present"
-"2-(2-Pyridinyl)ethyl imidothiocarbamate 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","4-Methylbenzenesulfonic acid;2-pyridin-2-ylethyl carbamimidothioate","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC(=C1)CCSC(=N)N","LPPPNPNNNPPPNF-UHFFFAOYSA-N","3246340",NA,"PDBC13896","92987","Present"
-"2-(2-Pyridylamino)ethyldimethylamine","","","","","","","","","","","","","","","","","","","","Pyridine, 2-[[(2-(dimethylamino)ethyl]amino]-","","CN(C)CCNC1=CC=CC=N1","PBPMFHCGVZTYHV-UHFFFAOYSA-N","90273",NA,"PDBC13897","30154","Present"
-"2-(2-Pyridylazo)-5-dimethylaminophenol","","","","","","","","","","","","","","","","","","","","(E)-5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol","","CN(C)C1=CC(=C(C=C1)N=NC2=CC=CC=N2)O","RBYWVGOQLYTZCK-UHFFFAOYSA-N","135741596",NA,"PDBC13898","794456","Present"
-"2-(2-Pyrrolidin-1-ylethyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[2-(Pyrrolidin-1-yl)ethyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione","","C1CCN(C1)CCN2C(=O)C3CC4=CC=CC=C4CN3C2=O","FDAIKWTXWRINOB-UHFFFAOYSA-N","372522",NA,"PDBC13899","647656","Present"
-"2-(2-Pyrrolizinopropionylamino)-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-pyrrolidin-1-ylpropanoylamino)thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)C(C)N2CCCC2","FBHMOTODSBVVLI-UHFFFAOYSA-N","396834",NA,"PDBC13900","703838","Present"
-"2-(2-Sulfoethylamino)propanoic acid","","","","","","","","","","","","","","","","","","","","tauropine","","CC(C(=O)O)NCCS(=O)(=O)O","VHYQDLYSULDZSO-UHFFFAOYSA-N","362387",NA,"PDBC13901","626157","Present"
-"2-(2-Tert-Butyl-1,3-benzoxathiol-2-yl)-5-(2-phenyl-1,3-benzoxathiol-2-yl)-1H-pyrrole","","","","","","","","","","","","","","","","","","","","2-(2-Tert-Butyl-1,3-benzoxathiol-2-yl)-5-(2-phenyl-1,3-benzoxathiol-2-yl)-1H-pyrrole","","CC(C)(C)C1(OC2=CC=CC=C2S1)C3=CC=C(N3)C4(OC5=CC=CC=C5S4)C6=CC=CC=C6","BDULTCWUYJYIMO-UHFFFAOYSA-N","362858",NA,"PDBC13902","627263","Present"
-"2-(2-Thienyl)-1,4-di(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","2-(2-Thienyl)-1,4-di(3-thienyl)-1,4-butanedione","","C1=CSC(=C1)C(CC(=O)C2=CSC=C2)C(=O)C3=CSC=C3","QMKYTDYBKYHNRR-UHFFFAOYSA-N","376710",NA,"PDBC13903","657756","Present"
-"2-(2-Thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine","","","","","","","","","","","","","","","","","","","","2-(2-Thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine","","C1=CSC(=C1)C2=NC3=C(N=CN=C3O2)N","FBHADBCNRPEORK-UHFFFAOYSA-N","387390",NA,"PDBC13904","681138","Present"
-"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl 3,5-dinitrobenzoate","","","","","","","","","","","","","","","","","","","","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl 3,5-dinitrobenzoate","","C1CC2=CC=CC=C2C(=NCCOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C41","BHKVMLIKDJSFJP-UHFFFAOYSA-N","382525",NA,"PDBC13905","670134","Present"
-"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl 3,5-dinitrobenzoate","","","","","","","","","","","","","","","","","","","","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl 3,5-dinitrobenzoate","","C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=NCCOC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","OODJMAUSQVVBPP-UHFFFAOYSA-N","382528",NA,"PDBC13906","670137","Present"
-"2-(2-oxo-2-phenylethoxy)isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(2-oxo-2-phenylethoxy)isoindoline-1,3-dione","","C1=CC=C(C=C1)C(=O)CON2C(=O)C3=CC=CC=C3C2=O","GANHWTJKFCGMQL-UHFFFAOYSA-N","322778",NA,"PDBC13907","280997","Present"
-"2-(2-phenyl-4-quinazolinylamino)ethyl pivalate","","","","","","","","","","","","","","","","","","","","2-(2-phenyl-4-quinazolinylamino)ethyl pivalate","","CC(C)(C)C(=O)OCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3","YLILNUSTSFYDJM-UHFFFAOYSA-N","1643479",NA,"PDBC13908","727901","Present"
-"2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(2,4-dichlorophenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,4-dichlorophenyl)-2-oxoacetamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2)Cl)Cl","FJQNSNJBKBRASC-UHFFFAOYSA-N","369564",NA,"PDBC13909","641428","Present"
-"2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(2,6-dimethylphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,6-dimethylphenyl)-2-oxoacetamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C","AKTGRQBWOMSJQW-UHFFFAOYSA-N","369233",NA,"PDBC13910","640961","Present"
-"2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(2-cyanophenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-cyanophenyl)-2-oxoacetamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC=CC=C2C#N","KCNLKZVVKWYDQK-UHFFFAOYSA-N","369237",NA,"PDBC13911","640966","Present"
-"2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C","VEJOWXJRRZAKOX-UHFFFAOYSA-N","369238",NA,"PDBC13912","640968","Present"
-"2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(3,4-dimethylphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(3,4-dimethylphenyl)-2-oxoacetamide","","CC1=C(C=C(C=C1)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C)C","YMNPMWRWDLUBOS-UHFFFAOYSA-N","369236",NA,"PDBC13913","640964","Present"
-"2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(3-acetylphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(3-acetylphenyl)-2-oxoacetamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC=CC(=C2)C(=O)C","ABJJEKMKPILGSQ-UHFFFAOYSA-N","369240",NA,"PDBC13914","640971","Present"
-"2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(4-methyl-2-nitrophenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(4-methyl-2-nitrophenyl)-2-oxoacetamide","","CC1=CC(=C(C=C1)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C)[N+](=O)[O-]","NGJVWJLVDLZIQX-UHFFFAOYSA-N","11979337",NA,"PDBC13915","640965","Present"
-"2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","Ethanedioic acid, mono(6-nitrobenzothiazol-2-yl)amide, m...","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]","ZAQRMGDCHDMUDD-UHFFFAOYSA-N","11979338",NA,"PDBC13916","640967","Present"
-"2-(2-{[2-(Aminosulfonyl)cyclohexyl]carbonyl}hydrazino)-2-oxo-N-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-Oxo-2-[2-(2-sulfamoylcyclohexanecarbonyl)hydrazinyl]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide","","C1CCC(C(C1)C(=O)NNC(=O)C(=O)NC2=NC(=S)NN2)S(=O)(=O)N","WNQODMSFHXBOPW-UHFFFAOYSA-N","3000677",NA,"PDBC13917","640973","Present"
-"2-(2H-Benzotriazole-2-yl)-3beta-phenyloxetane-2beta-methanol","","","","","","","","","","","","","","","","","","","","[(2r,3s)-2-(2h-Benzotriazol-2-yl)-3-phenyloxetan-2-yl]methanol","","C1C(C(O1)(CO)N2N=C3C=CC=CC3=N2)C4=CC=CC=C4","GMLUGJDJJBZWAK-CJNGLKHVSA-N","404384",NA,"PDBC13918","720595","Present"
-"2-(3,3-Butadiene","","","","","","","","","","","","","","","","","","","","2-(3,4-Dibromo-4-methylpentyl)-1,3-butadiene","","CC(C)(C(CCC(=C)C=C)Br)Br","UKGJPTUUIZABLR-UHFFFAOYSA-N","377927",NA,"PDBC13919","659550","Present"
-"2-(3,3-Dichloroprop-2-enoxy)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-[(3,3-Dichloroprop-2-en-1-yl)oxy]naphthalene-1,4-dione","","C1=CC=C2C(=C1)C(=O)C=C(C2=O)OCC=C(Cl)Cl","ABFVATXEXMGHDL-UHFFFAOYSA-N","281172",NA,"PDBC13920","133757","Present"
-"2-(3,3-Diphenyl-2-benzothien-1(3H)-ylidene)-1H-indene-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(3,3-Diphenyl-2-benzothiophen-1-ylidene)indane-1,3-dione","","C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C4C(=O)C5=CC=CC=C5C4=O)S2)C6=CC=CC=C6","MSBRUJXJPKVTGT-UHFFFAOYSA-N","377856",NA,"PDBC13921","659469","Present"
-"2-(3,3a,4,8b-Tetrahydro-1H-pyrrolo[3,4-b]indol-2-ylmethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-(3,3a,4,8b-Tetrahydro-1H-pyrrolo[3,4-b]indol-2-ylmethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one","","CC1=CC(=NC2=C1C(=O)N(S2)CN3CC4C(C3)NC5=CC=CC=C45)C","WPBHZIGUJVFMIY-UHFFFAOYSA-N","401087",NA,"PDBC13922","713910","Present"
-"2-(3,4,5-Trihydroxy-6-oxoxanthen-9-yl)cyclohexane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecar...","","C1CCC(C(C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)C(=O)O","CAVIJGGXNIURPI-UHFFFAOYSA-N","274122",NA,"PDBC13923","119910","Present"
-"2-(3,4,5-Trimethoxy-phenyl)-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-(3,4,5-Trimethoxy-phenyl)-1H-quinolin-4-one","","COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=CC=CC=C3N2","CEYWUEALBWWZAX-UHFFFAOYSA-N","375362",NA,"PDBC13924","654986","Present"
-"2-(3,4,5-Trimethoxybenzylidene)-1-indanone","","","","","","","","","","","","","","","","","","","","2-(3,4,5-Trimethoxybenylidene)-1-indanone","","COC1=CC(=CC(=C1OC)OC)C=C2CC3=CC=CC=C3C2=O","OFVGYTVXPWPBMR-RIYZIHGNSA-N","1550191",NA,"PDBC13925","643177","Present"
-"2-(3,4,5-Trimethoxybenzylidene)-1-tetralone","","","","","","","","","","","","","","","","","","","","2-(3,4,5-Trimethoxybenzylidene)-1-tetralone","","COC1=CC(=CC(=C1OC)OC)C=C2CCC3=CC=CC=C3C2=O","LTUKXOIWJPFEFJ-XNTDXEJSSA-N","1550192",NA,"PDBC13926","643178","Present"
-"2-(3,4,5-Trimethoxyphenyl)-3-(4-methoxyphenyl)acrylic acid 2-(diethylamino)ethyl ester","","","","","","","","","","","","","","","","","","","","(E) (2-Diethylaminoethyl)-3-(4-methoxyphenyl)-2-(3,4,5- ...","","CCN(CC)CCOC(=O)C(=CC1=CC=C(C=C1)OC)C2=CC(=C(C(=C2)OC)OC)OC","GFTYBVUQAYPGNQ-RCCKNPSSSA-N","5388753",NA,"PDBC13927","638408","Present"
-"2-(3,4,5-Trimethoxyphenyl)-5,12,14-trioxa-3-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-4-one","","","","","","","","","","","","","","","","","","","","2-(3,4,5-Trimethoxyphenyl)-5,12,14-trioxa-3-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-4-one","","COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3CC5N2C(=O)OC5)OCO4","HSYGXWWIEPKNOV-UHFFFAOYSA-N","435851",NA,"PDBC13928","377521","Present"
-"2-(3,4,5-Trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidine-4(3H)-one","","","","","","","","","","","","","","","","","","","","2-(3,4,5-Trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocyclooc...","","COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C4=C(S3)CCCCCC4)C(=O)N2","HYXOATCEUFLRBA-UHFFFAOYSA-N","3886853",NA,"PDBC13929","775878","Present"
-"2-(3,4-Dichloro-5-hydroxytetrahydro-2-furanyl)-1-(2,5-dimethylphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichloro-5-hydroxytetrahydro-2-furanyl)-1-(2,5-dimethylphenyl)ethanone","","CC1=CC(=C(C=C1)C)C(=O)CC2C(C(C(O2)O)Cl)Cl","KVGRFPSXOUEZGT-UHFFFAOYSA-N","366852",NA,"PDBC13930","635831","Present"
-"2-(3,4-Dichloro-5-oxo-2H-furan-2-yl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichloro-5-oxo-2H-furan-2-yl)naphthalene-1,4-dione","","C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3C(=C(C(=O)O3)Cl)Cl","AOMAXESZRJYRHC-UHFFFAOYSA-N","343050",NA,"PDBC13931","381802","Present"
-"2-(3,4-Dichloro-phenyl)-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichloro-phenyl)-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide","","C1CCC(C(C1)NC(=O)CC2=CC(=C(C=C2)Cl)Cl)N3CCCC3","KWSRPMWFUYDWFC-SJORKVTESA-N","6712729",NA,"PDBC13932","707477","Present"
-"2-(3,4-Dichloroanilino)benzo[f][1,3]benzothiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-d]thiazole-4,9-dione, 2-[(3,4-dichlorophenyl...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC(=C(C=C4)Cl)Cl","SGDPXYIMMVMCCY-UHFFFAOYSA-N","364762",NA,"PDBC13933","631521","Present"
-"2-(3,4-Dichloroanilino)oxazole","","","","","","","","","","","","","","","","","","","","LS-100116","","C1=CC(=C(C=C1NC2=NC=CO2)Cl)Cl","ANNHWFYCOCQWBQ-UHFFFAOYSA-N","377656",NA,"PDBC13934","659238","Present"
-"2-(3,4-Dichlorobenzylidene)-6-(4-hydroxybenzylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorobenzylidene)-6-(4-hydroxybenzylidene)cyclohexanone","","C1CC(=CC2=CC=C(C=C2)O)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)C1","IMLOAMSUXFEQKT-XCMCHEKJSA-N","5905419",NA,"PDBC13935","683835","Present"
-"2-(3,4-Dichlorobenzylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","NSC629630","","C1CCC(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C1","FLTPMKGSZHZVQN-JXMROGBWSA-N","5387899",NA,"PDBC13936","629630","Present"
-"2-(3,4-Dichlorobenzylidene)cyclohexanone oxime","","","","","","","","","","","","","","","","","","","","NSC629634","","C1CCC(=NO)C(=CC2=CC(=C(C=C2)Cl)Cl)C1","OCGCTULPNOXNKZ-SBFJKYRKSA-N","5915886",NA,"PDBC13937","629634","Present"
-"2-(3,4-Dichlorophenoxy)-3-phenylquinoxaline-5,7-diamine","","","","","","","","","","","","","","","","","","","","2-[(3,4-dicloro)phenoxy]-3-phenyl-5,7-Diamino quinoxaline","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2OC4=CC(=C(C=C4)Cl)Cl)N)N","TZKVFIQELBFAKJ-UHFFFAOYSA-N","24203443",NA,"PDBC13938","728036","Present"
-"2-(3,4-Dichlorophenoxy)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenoxy)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride","","CN(C1CCCCC1N2CCCC2)C(=O)COC3=CC(=C(C=C3)Cl)Cl.Cl","SLYFITKBNVBOIW-SZOUEMSFSA-N","54611457",NA,"PDBC13939","707808","Present"
-"2-(3,4-Dichlorophenoxy)oxetane","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenoxy)oxetane","","C1COC1OC2=CC(=C(C=C2)Cl)Cl","SEIBWBMVTNFOCR-UHFFFAOYSA-N","366915",NA,"PDBC13940","635977","Present"
-"2-(3,4-Dichlorophenyl)-2-hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethanone hydrazone","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-2-hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)ethanone hydrazone","","C1=CC(=C(C=C1C(C(=NN)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)Cl)Cl","DEXILZZODLBGCW-LPYMAVHISA-N","135499270",NA,"PDBC13941","647592","Present"
-"2-(3,4-Dichlorophenyl)-2-vinyl-1,3-dioxolane","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-2-vinyl-1,3-dioxolane","","C=CC1(OCCO1)C2=CC(=C(C=C2)Cl)Cl","LMLKYRJABOHMER-UHFFFAOYSA-N","383348",NA,"PDBC13942","671462","Present"
-"2-(3,4-Dichlorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole","","C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC(=C(C=C4)Cl)Cl","HCDVIQXPGHCUKY-UHFFFAOYSA-N","259766",NA,"PDBC13943","90311","Present"
-"2-(3,4-Dichlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC(=C(C=C3)Cl)Cl","REOVLQZKPJLXPD-UHFFFAOYSA-N","362319",NA,"PDBC13944","625955","Present"
-"2-(3,4-Dichlorophenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide","","C1CCC(CC1)(CNC(=O)CC2=CC(=C(C=C2)Cl)Cl)N3CCCCC3","VXJLLYSGWMNOCO-UHFFFAOYSA-N","398819",NA,"PDBC13945","708966","Present"
-"2-(3,4-Dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride","","CN(C1CCCCC1N2CC=CC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl","IMSCRKBBJAGENW-APTPAJQOSA-N","54611533",NA,"PDBC13946","707469","Present"
-"2-(3,4-Dichlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine;hydrobromide","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine;hydrobromide","","C1CCN(C1)CCN(CCC2=CC(=C(C=C2)Cl)Cl)CCC3=CC(=C(C=C3)Cl)Cl.Br","KLWKCDXAMQJDJM-UHFFFAOYSA-N","398583",NA,"PDBC13947","708549","Present"
-"2-(3,4-Dichlorophenyl)-N-[3-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propyl]acetamide;oxalic acid","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-N-[3-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propyl]acetamide;oxalic acid","","C1CCN(CC1)CCCN2CCN(CC2)CCCNC(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=O)(C(=O)O)O","MUWPBAAUIROHSF-UHFFFAOYSA-N","398605",NA,"PDBC13948","708560","Present"
-"2-(3,4-Dichlorophenyl)-N-methyl-N-[(1R,2R)-2-(1-methyl-2,5-dihydropyrrol-1-ium-1-yl)cyclohexyl]acetamide;iodide","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-N-methyl-N-[(1R,2R)-2-(1-methyl-2,5-dihydropyrrol-1-ium-1-yl)cyclohexyl]acetamide;iodide","","CN(C1CCCCC1[N+]2(CC=CC2)C)C(=O)CC3=CC(=C(C=C3)Cl)Cl.[I-]","PZAHROIGULEKQN-STYNFMPRSA-M","398104",NA,"PDBC13949","707468","Present"
-"2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]acetamide;bromide","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]acetamide;bromide","","CN(C1CCCCC1[N+]2(CCCC2)C)C(=O)CC3=CC(=C(C=C3)Cl)Cl.[Br-]","AASJJHLEKCUDRS-HLRBRJAUSA-M","398097",NA,"PDBC13950","707463","Present"
-"2-(3,4-Dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]ethanethioamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]ethanethioamide;hydrochloride","","CN(C1CCCCC1N2CCCC2)C(=S)CC3=CC(=C(C=C3)Cl)Cl.Cl","VLSQZMVJUCHVGG-SZOUEMSFSA-N","54611531",NA,"PDBC13951","707461","Present"
-"2-(3,4-Dichlorophenyl)-N-methyl-N-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]acetamide;oxalic acid","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-N-methyl-N-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]acetamide;oxalic acid","","CN(CCN1CCCC1)CCN(C)CCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O","LCBJXGHDBHAQCR-UHFFFAOYSA-N","398612",NA,"PDBC13952","708564","Present"
-"2-(3,4-Dichlorophenyl)-N-methyl-N-[3-[methyl(4-pyrrolidin-1-ylbutyl)amino]propyl]acetamide;oxalic acid","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-N-methyl-N-[3-[methyl(4-pyrrolidin-1-ylbutyl)amino]propyl]acetamide;oxalic acid","","CN(CCCCN1CCCC1)CCCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O","HTAJZCJJDRLFCY-UHFFFAOYSA-N","398608",NA,"PDBC13953","708562","Present"
-"2-(3,4-Dichlorophenyl)-N-methyl-N-[4-[methyl(4-pyrrolidin-1-ylbutyl)amino]butyl]acetamide;oxalic acid","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenyl)-N-methyl-N-[4-[methyl(4-pyrrolidin-1-ylbutyl)amino]butyl]acetamide;oxalic acid","","CN(CCCCN1CCCC1)CCCCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O","SMYCHNQRJOGRSY-UHFFFAOYSA-N","398610",NA,"PDBC13954","708563","Present"
-"2-(3,4-Dichlorophenyl)quinazoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","PHNQJSCPEFQKSU-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C(=NC(=N2)C3=CC(=C(C=C3)Cl)Cl)C(=O)N","PHNQJSCPEFQKSU-UHFFFAOYSA-N","362508",NA,"PDBC13955","626530","Present"
-"2-(3,4-Dichlorophenylcarbamoyl)-3,3a,4,5-tetrahydro-3-(4-chlorophenyl)-2H-benzo[g]indazole","","","","","","","","","","","","","","","","","","","","2-(3,4-Dichlorophenylcarbamoyl)-3,3a,4,5-tetrahydro-3-(4-chlorophenyl)-2H-benzo[g]indazole","","C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=C(C=C4)Cl)C(=O)NC5=CC(=C(C=C5)Cl)Cl","QJXKUMIIQCDARM-UHFFFAOYSA-N","403116",NA,"PDBC13956","717703","Present"
-"2-(3,4-Dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium-4-yl]chromenylium-3,5,7-triol;chloride","","","","","","","","","","","","","","","","","","","","2-(3,4-Dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium-4-yl]chromenylium-3,5,7-triol;chloride","","C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C(=C2O)C4=C(C(=[O+]C5=CC(=CC(=C54)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O.[Cl-]","FHJNSUXNBXDTKO-UHFFFAOYSA-O","362632",NA,"PDBC13957","626806","Present"
-"2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[2,3,4-trihydroxy-5-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one","","","","","","","","","","","","","","","","","","","","2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[2,3,4-trihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one","","CC1C(C(C(C(O1)OCC2COC(C(C2O)O)(O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O","ZAWICGHHKUGKDJ-UHFFFAOYSA-N","5387755",NA,"PDBC13958","626808","Present"
-"2-(3,4-Dihydroxyphenyl)-N-(1H-indol-3-ylmethyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3,4-Dihydroxyphenyl)-N-(1H-indol-3-ylmethyl)acetamide","","C1=CC=C2C(=C1)C(=CN2)CNC(=O)CC3=CC(=C(C=C3)O)O","GMLFWELXYTZCNK-UHFFFAOYSA-N","406484",NA,"PDBC13959","724608","Present"
-"2-(3,4-Dimethoxy benzylidene)-1-tetralone","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethoxy benzylidene)-1-tetralone","","COC1=C(C=C(C=C1)C=C2CCC3=CC=CC=C3C2=O)OC","GAWLBBIQPOSEMR-RVDMUPIBSA-N","756926",NA,"PDBC13960","643175","Present"
-"2-(3,4-Dimethoxy-phenyl)-6,7-dimethoxy-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethoxy-phenyl)-6,7-dimethoxy-1H-quinolin-4-one","","COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3N2)OC)OC)OC","GLVDOXITTLWVGF-UHFFFAOYSA-N","378307",NA,"PDBC13961","660311","Present"
-"2-(3,4-Dimethoxybenzyl)-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","NCIMech_000133","","COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3S2)OC","LZFWKZBQKFRXPM-UHFFFAOYSA-N","365132",NA,"PDBC13962","632233","Present"
-"2-(3,4-Dimethoxybenzylidene)-1-indanone","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethoxybenzylidene)-1-indanone","","COC1=C(C=C(C=C1)C=C2CC3=CC=CC=C3C2=O)OC","FJGZVPFZRZDBNC-NTEUORMPSA-N","5351391",NA,"PDBC13963","643174","Present"
-"2-(3,4-Dimethoxyphenyl)-1-[ethoxy(methyl)phosphoryl]ethanone oxime","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethoxyphenyl)-1-[ethoxy(methyl)phosphoryl]ethanone oxime","","CCOP(=O)(C)C(=NO)CC1=CC(=C(C=C1)OC)OC","VWNKYRQEVGMBBB-YPKPFQOOSA-N","9571471",NA,"PDBC13964","669584","Present"
-"2-(3,4-Dimethoxyphenyl)-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","STL506689","","COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2)OC","QZYGERCWCIKOGH-UHFFFAOYSA-N","135484663",NA,"PDBC13965","684368","Present"
-"2-(3,4-Dimethoxyphenyl)-5-(3-oxo-3-methoxy-1-propenyl)-7-methoxy-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","NSC674997///Benzofuran-3-carboxylic acid, 2,3-dihydro- 7-methoxy-5-(...","","COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC)C(=O)OC)OC","PSIYZHFYCJVWJB-RMKNXTFCSA-N","6306752",NA,"PDBC13966","674997///674998","Present"
-"2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one--lambda~2~-stannane (1/1)","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;tin","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC.[Sn]","PZKNOJBOSQTJJT-UHFFFAOYSA-N","54611128",NA,"PDBC13967","408170","Present"
-"2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one","","","","","","","","","","","","","","","","","","","","Zinc;2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC.[Zn+2]","XMSZJBOKRNTHEC-UHFFFAOYSA-N","54607968",NA,"PDBC13968","408171","Present"
-"2-(3,4-Dimethoxyphenyl)-5-oxohexanoic acid","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethoxyphenyl)-5-oxohexanoic acid","","CC(=O)CCC(C1=CC(=C(C=C1)OC)OC)C(=O)O","CFUATTBARCNPEZ-UHFFFAOYSA-N","359393",NA,"PDBC13969","620236","Present"
-"2-(3,4-Dimethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","DIMETHOXYPHENYLACETAMIDE,3,4-","","COC1=C(C=C(C=C1)CC(=O)N)OC","CUWOZWFDSYIYHL-UHFFFAOYSA-N","79746",NA,"PDBC13970","73172","Present"
-"2-(3,4-Dimethoxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","NIOSH/DL3650000","","COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)OC","JMSHSEQKUVZWNO-UHFFFAOYSA-N","241105",NA,"PDBC13971","48229","Present"
-"2-(3,4-Dimethylphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethylphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","CC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O)C","QGDKQJBQKFFOBL-UHFFFAOYSA-N","364114",NA,"PDBC13972","629783","Present"
-"2-(3,5-Bis(chloromethyl)-4-methoxyphenyl)-4H-thiochromen-4-one","","","","","","","","","","","","","","","","","","","","2-(3,5-Bis(chloromethyl)-4-methoxyphenyl)-4H-thiochromen-4-one","","COC1=C(C=C(C=C1CCl)C2=CC(=O)C3=CC=CC=C3S2)CCl","XWYSIHSASQGMNP-UHFFFAOYSA-N","355507",NA,"PDBC13973","609259","Present"
-"2-(3,5-Di-hydrofuran-2-yl)-5-methoxycyclohexa-2,5-diene 1,4-dione","","","","","","","","","","","","","","","","","","","","2-(3,4-dichloro-2-isopropoxy-5-oxo-2,5-di-hydrofuran-2-y...","","CC(C)OC1(C(=C(C(=O)O1)Cl)Cl)C2=CC(=O)C(=CC2=O)OC","KHMSDJNYLCWUQD-UHFFFAOYSA-N","343052",NA,"PDBC13974","381804","Present"
-"2-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-hydroxymalonic acid","","","","","","","","","","","","","","","","","","","","2-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-hydroxymalonic acid","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)(C(=O)O)O","VVSSRNHIGFUMKV-UHFFFAOYSA-N","386887",NA,"PDBC13975","679745","Present"
-"2-(3,5-Dibromo-2,6-dimethoxyphenyl)-1H-pyrrole","","","","","","","","","","","","","","","","","","","","2-(3,5-Dibromo-2,6-dimethoxyphenyl)-1H-pyrrole","","COC1=C(C(=C(C=C1Br)Br)OC)C2=CC=CN2","VHAPZCVSMZGFMN-UHFFFAOYSA-N","369631",NA,"PDBC13976","641541","Present"
-"2-(3,5-Dichloro-2-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)-1,2-dihydroquinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-(3,5-Dichloro-2-hydroxyphenyl)-3-(2-(2-pyridinyl)ethyl)-2,3-dihydro-4(1H)-quinazolinone","","C1=CC=C2C(=C1)C(=O)N(C(N2)C3=C(C(=CC(=C3)Cl)Cl)O)CCC4=CC=CC=N4","XNODUJYLAIIVDZ-UHFFFAOYSA-N","332154",NA,"PDBC13977","328087","Present"
-"2-(3,5-Dichloroanilino)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-(3,5-Dichloroanilino)-9H-purin-6-ol","","C1=C(C=C(C=C1Cl)Cl)NC2=NC3=C(C(=O)N2)NC=N3","XABJVTMOEMSJFI-UHFFFAOYSA-N","135410329",NA,"PDBC13978","682527","Present"
-"2-(3,5-Dimethoxyphenoxy)-3-(trifluoromethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(3,5-Dimethoxyphenoxy)-3-(trifluoromethyl)quinoxaline","","COC1=CC(=CC(=C1)OC2=NC3=CC=CC=C3N=C2C(F)(F)F)OC","FSVNAQSSCVSYRP-UHFFFAOYSA-N","401463",NA,"PDBC13979","715121","Present"
-"2-(3,5-Dimethoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(3,5-Dimethoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline","","COC1=CC(=CC(=C1)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","QRGPPKBWPJKWEO-UHFFFAOYSA-N","384951",NA,"PDBC13980","675775","Present"
-"2-(3,5-Dimethoxyphenoxy)-3-phenylquinoxaline-5,7-diamine","","","","","","","","","","","","","","","","","","","","2-[3,5-(dimethoxy)phenoxy]-3-phenyl-5,7-diammino quinoxa...","","COC1=CC(=CC(=C1)OC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","ZJAPPUPSNBIWFT-UHFFFAOYSA-N","405139",NA,"PDBC13981","722176","Present"
-"2-(3,5-Dimethoxyphenoxy)-6,7-difluoro-3-phenylquinoxaline","","","","","","","","","","","","","","","","","","","","2-(3,5-Dimethoxyphenoxy)-6,7-difluoro-3-phenylquinoxaline","","COC1=CC(=CC(=C1)OC2=NC3=CC(=C(C=C3N=C2C4=CC=CC=C4)F)F)OC","WWFUOYCBKCVITO-UHFFFAOYSA-N","394497",NA,"PDBC13982","698042","Present"
-"2-(3,5-Dimethoxyphenyl)-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","GGOWAPMNHOQUBZ-UHFFFAOYSA-N","","COC1=CC(=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2)OC","GGOWAPMNHOQUBZ-UHFFFAOYSA-N","135484664",NA,"PDBC13983","684369","Present"
-"2-(3,5-Dimethoxyphenyl)-5-fluoro-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-(3,5-dimethoxyphenyl)benzothiazole","","COC1=CC(=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)OC","ARCOYLAUNAXKBV-UHFFFAOYSA-N","404996",NA,"PDBC13984","721650","Present"
-"2-(3,5-Dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)nicotinamide","","","","","","","","","","","","","","","","","","","","2-(3,5-dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-...","","COC1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)NCC3=CN(N=N3)CC4=CC(=CC=C4)OC5=CC=CC=C5)OC","XMELYKPKQSRZGL-UHFFFAOYSA-N","90681005",NA,"PDBC13985","758367","Present"
-"2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-phenyl-4(3H)-quinazolinone","","CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C","WNFDRMKTSXWTCF-UHFFFAOYSA-N","380664",NA,"PDBC13986","666358","Present"
-"2-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol","","CC1=CC(=NN1C2=NC(=C(C(=O)N2)CCO)C)C","XJNLBPRZHIMFSE-UHFFFAOYSA-N","135409151",NA,"PDBC13987","660339","Present"
-"2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-propylpyrimidin","","","","","","","","","","","","","","","","","","","","2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-propyl-1,4-dihydropyr...","","CCCC1=CC(=O)NC(=N1)N2C(=CC(=N2)C)C","DZTHJJDLAVXFBK-UHFFFAOYSA-N","136081020",NA,"PDBC13988","771835","Present"
-"2-(3,5-Dimethylpyrazol-1-yl)quinazolin-4-ol","","","","","","","","","","","","","","","","","","","","STK849915","","CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2)C","BPUGGJBTONTZGE-UHFFFAOYSA-N","135472230",NA,"PDBC13989","691081","Present"
-"2-(3,5-Dioxo-1,2,4-triazin-2-yl)ethoxymethylphosphonic acid","","","","","","","","","","","","","","","","","","","","{[2-(3,5-Dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)ethoxy]methyl}phosphonic acid","","C1=NN(C(=O)NC1=O)CCOCP(=O)(O)O","MPZQLFRGJYODHG-UHFFFAOYSA-N","386540",NA,"PDBC13990","678972","Present"
-"2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)pentanedioic acid","","C1CC2CC1C3C2C(=O)N(C3=O)C(CCC(=O)O)C(=O)O","DLXXALMFLHHCTQ-UHFFFAOYSA-N","315873",NA,"PDBC13991","241993","Present"
-"2-(3,5-Trimethoxybenzylamino)-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one hydrochloride","","","","","","","","","","","","","","","","","","","","2-(3,4,5-Trimethoxybenzylamino)-7,8,9,10-tetrahydroazepi...","","COC1=CC(=CC(=C1OC)OC)CNC2=CC3=C(C=C2)N=C4CCCCCN4C3=O.Cl","GRRSFSAKQDBVAA-UHFFFAOYSA-N","380988",NA,"PDBC13992","666867","Present"
-"2-(3,6-Dichloro-9H-xanthen-9-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(3,6-Dichloro-9H-xanthen-9-yl)benzoic acid","","C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)Cl)OC4=C2C=CC(=C4)Cl)C(=O)O","DTERUGRHJMFTNE-UHFFFAOYSA-N","361815",NA,"PDBC13993","625132","Present"
-"2-(3,7,9-Trimethyl-2,4,6,8-tetraoxo-pyrimido[5,4-g]pteridin-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3,7,9-Trimethyl-2,4,6,8-tetraoxo-pyrimido[5,4-g]pteridin-1-yl)acetamide","","CN1C2=C(C(=O)N(C1=O)C)N=C3C(=N2)N(C(=O)N(C3=O)C)CC(=O)N","VZXTYEQOZFVZAU-UHFFFAOYSA-N","391095",NA,"PDBC13994","689713","Present"
-"2-(3-(1-Adamantylamino)-2(1H)-quinoxalinylidene)-1-(4-methylphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(3-(1-Adamantylamino)-2(1H)-quinoxalinylidene)-1-(4-methylphenyl)ethanone","","CC1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3N=C2NC45CC6CC(C4)CC(C6)C5)O","DLGLKMKBVMIGLJ-MXAYSNPKSA-N","135409166",NA,"PDBC13995","662446","Present"
-"2-(3-(1-Adamantylamino)-6-(hydroxy(oxido)amino)-2(1H)-quinoxalinylidene)-1-phenylethanone","","","","","","","","","","","","","","","","","","","","2-(3-(1-Adamantylamino)-6-(hydroxy(oxido)amino)-2(1H)-quinoxalinylidene)-1-phenylethanone","","C1C2CC3CC1CC(C2)(C3)NC4=NC5=C(C=CC(=C5)[N+](=O)[O-])N=C4C=C(C6=CC=CC=C6)O","QCFQJGNKUSAMII-MSXFZWOLSA-N","135409169",NA,"PDBC13996","662449","Present"
-"2-(3-(2,2,2-Trifluoroethyl)anilino)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-(3-(2,2,2-Trifluoroethyl)anilino)-9H-purin-6-ol","","C1=CC(=CC(=C1)NC2=NC3=C(C(=O)N2)NC=N3)CC(F)(F)F","LYMSMIVPXNLRNH-UHFFFAOYSA-N","135440029",NA,"PDBC13997","685824","Present"
-"2-(3-(2-Methoxy-4-(4-methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(3-(2-Methoxy-4-(4-methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione","","COC1=C(C=CC(=C1)C2CC(=C)C(=O)O2)OCCCN3C(=O)C4=CC=CC=C4C3=O","VJRIEQZANIWQHI-UHFFFAOYSA-N","381521",NA,"PDBC13998","668277","Present"
-"2-(3-(2-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(3-(2-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)phenol","","COC1=CC=CC=C1C2=NNC(=N2)C3=CC=CC=C3O","ACPUUOOUSKDNFW-UHFFFAOYSA-N","389406",NA,"PDBC13999","685477","Present"
-"2-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-7,12-dioxaspiro[5.6]dodecan-3-one","","","","","","","","","","","","","","","","","","","","2-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-7,12-dioxaspiro[5.6]dodecan-3-one","","CC1(OCCO1)C2=CC=CC(=C2)C3CC4(CCC3=O)OCCCCO4","NHRNWJARODNEHU-UHFFFAOYSA-N","375523",NA,"PDBC14000","655302","Present"
-"2-(3-(3,4,5-Trimethoxyphenyl)-1H-pyrazol-5-yl)-1H-benzo[d]imidazole","","","","","","","","","","","","","","","","","","","","2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-1H-benzo[...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C3=NC4=CC=CC=C4N3","BDAGZBUIKLJQAQ-UHFFFAOYSA-N","136929741",NA,"PDBC14001","768400","Present"
-"2-(3-(4-((3-((Aminocarbonyl)diazenyl)butanoyl)amino)anilino)-1-methyl-3-oxopropyl)diazenecarboxamide","","","","","","","","","","","","","","","","","","","","2-(3-(4-((3-((Aminocarbonyl)diazenyl)butanoyl)amino)anilino)-1-methyl-3-oxopropyl)diazenecarboxamide","","CC(CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C)N=NC(=O)N)N=NC(=O)N","CGQMNQSWTBDETI-UHFFFAOYSA-N","370067",NA,"PDBC14002","642627","Present"
-"2-(3-(4-(4-Methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(3-(4-(4-Methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione","","C=C1CC(OC1=O)C2=CC=C(C=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O","OSODQJGOYAOQOV-UHFFFAOYSA-N","381520",NA,"PDBC14003","668276","Present"
-"2-(3-(4-Methylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(3-(4-Methylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-1H-isoindole-1,3(2H)-dione","","CC1=CC=C(C=C1)C2=NNC(=O)N2N3C(=O)C4=CC=CC=C4C3=O","ZJTPYWFKPWFIRQ-UHFFFAOYSA-N","386449",NA,"PDBC14004","678478","Present"
-"2-(3-(8-(6-(2-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(3-(8-(6-(2-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol","","C1=CC=C(C(=C1)C2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)C6=CC=CC=C6O)O","SBSJBIWJJSATGN-UHFFFAOYSA-N","395665",NA,"PDBC14005","700447","Present"
-"2-(3-(Acetyloxy)-4,9-dihydro[1,2,4]triazino[4,3-d][1,3,4]oxadiazin-7-yl)phenyl acetate","","","","","","","","","","","","","","","","","","","","2-(3-(Acetyloxy)-4,9-dihydro[1,2,4]triazino[4,3-d][1,3,4]oxadiazin-7-yl)phenyl acetate","","CC(=O)OC1=NN=C2COC(=NN2C1)C3=CC=CC=C3OC(=O)C","MTHHPISJNFAKGM-UHFFFAOYSA-N","376338",NA,"PDBC14006","657170","Present"
-"2-(3-(Benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-1H-benzo[d]imidazole","","","","","","","","","","","","","","","","","","","","2-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-1H-benz...","","C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=NC5=CC=CC=C5N4","RLHBRPZOPRQMAW-UHFFFAOYSA-N","136929688",NA,"PDBC14007","768399","Present"
-"2-(3-(Benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-5-fluoro-1H-benzo[d]imidazole","","","","","","","","","","","","","","","","","","","","2-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-5-fluor...","","C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=NC5=C(N4)C=C(C=C5)F","JFESWRVPKVDRET-UHFFFAOYSA-N","136929684",NA,"PDBC14008","768410","Present"
-"2-(3-(Hydroxy(oxido)amino)benzylidene)-1-indanone","","","","","","","","","","","","","","","","","","","","STK781162","","C1C2=CC=CC=C2C(=O)C1=CC3=CC(=CC=C3)[N+](=O)[O-]","YBBSELSAFWNGFE-MDWZMJQESA-N","5296617",NA,"PDBC14009","687664","Present"
-"2-(3-(Hydroxymethyl)-4-methylanilino)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-(3-(Hydroxymethyl)-4-methylanilino)-9H-purin-6-ol","","CC1=C(C=C(C=C1)NC2=NC3=C(C(=O)N2)NC=N3)CO","JYCYNDRDQPPPKI-UHFFFAOYSA-N","135409190",NA,"PDBC14010","664575","Present"
-"2-(3-Acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","Pregn-5-ene-20-carboxylic acid, (3.beta.,20S)-","","CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(=O)O","WRMRAQBPFAXGNJ-UHFFFAOYSA-N","250291",NA,"PDBC14011","69540","Present"
-"2-(3-Allyl-4-hydroxy-5-methoxybenzylidene)malononitrile","","","","","","","","","","","","","","","","","","","","MCK100604","","COC1=CC(=CC(=C1O)CC=C)C=C(C#N)C#N","IWZKWPIPONOHQI-UHFFFAOYSA-N","379437",NA,"PDBC14012","663983","Present"
-"2-(3-Amino-2-cyano-6,9-dioxa-4-azaspiro[4.4]non-2-en-1-ylidene)propanedinitrile","","","","","","","","","","","","","","","","","","","","2-(3-Amino-2-cyano-6,9-dioxa-4-azaspiro[4.4]non-2-en-1-ylidene)propanedinitrile","","C1COC2(O1)C(=C(C#N)C#N)C(=C(N2)N)C#N","QAPJUJXNMHQPNJ-UHFFFAOYSA-N","394324",NA,"PDBC14013","697693","Present"
-"2-(3-Amino-3-carboxypropyl)-1,3-thiazole-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(3-Amino-3-carboxypropyl)-1,3-thiazole-5-carboxylic acid","","C1=C(SC(=N1)CCC(C(=O)O)N)C(=O)O","FXOWSGHGIZWLHF-UHFFFAOYSA-N","363606",NA,"PDBC14014","628601","Present"
-"2-(3-Amino-4-methylphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(3-Amino-4-methylphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","CC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O)N","UJCVZABZNYUPGN-UHFFFAOYSA-N","362316",NA,"PDBC14015","625952","Present"
-"2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetamide","","","","","","","","","","","","","","","","","","","","2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetamide","","C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N)N","GOYYBEJHCWPMNG-UHFFFAOYSA-N","395163",NA,"PDBC14016","699463","Present"
-"2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetic acid","","","","","","","","","","","","","","","","","","","","2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetic acid","","C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)O)N","PGHOVBQBPUXHNE-UHFFFAOYSA-N","395162",NA,"PDBC14017","699462","Present"
-"2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetohydrazide","","","","","","","","","","","","","","","","","","","","2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetohydrazide","","C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NN)N","OFSPFMXXNYIXNG-UHFFFAOYSA-N","395166",NA,"PDBC14018","699466","Present"
-"2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F","AXHVFJNLWLUJEN-UHFFFAOYSA-N","360433",NA,"PDBC14019","622569","Present"
-"2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxo-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxo-N-phenylacetamide","","C1=CC=C(C=C1)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N","OMYKKPFHAQECTN-UHFFFAOYSA-N","360430",NA,"PDBC14020","622566","Present"
-"2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-(3,4-dichlorophenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-(3,4-dichlorophenyl)-2-oxoacetamide","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","HEMQIVNWFZHJMJ-UHFFFAOYSA-N","365042",NA,"PDBC14021","632000","Present"
-"2-(3-Amino-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium-1-yl)-1-phenylethanone;bromide","","","","","","","","","","","","","","","","","","","","3-Amino-1-(2-oxo-2-phenylethyl)-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium bromide","","C1=CC=C(C=C1)C2=NN3C(=N[N+](=C3S2)CC(=O)C4=CC=CC=C4)N.[Br-]","YHEQEUPNLGDUFH-UHFFFAOYSA-M","383482",NA,"PDBC14022","671873","Present"
-"2-(3-Aminoacridin-9-yl)sulfanyl-N-[2-[2-[[2-(3-aminoacridin-9-yl)sulfanylacetyl]amino]phenyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","4,7-[Bis-N,N'-(3-amino-9-thioacetamido)-acridine]-biphenyl","","C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CSC6=C7C=CC(=CC7=NC8=CC=CC=C86)N","FLFZOHFFQPTMRT-UHFFFAOYSA-N","371156",NA,"PDBC14023","645157","Present"
-"2-(3-Aminopropylamino)phenazine 5,10-dioxide","","","","","","","","","","","","","","","","","","","","2-((3-Aminopropyl)amino)-5.lambda.~5~,10.lambda.~5~-phenazine-5,10-diol","","C1=CC=C2C(=C1)[N+](=C3C=CC(=CC3=[N+]2[O-])NCCCN)[O-]","IDHDLLDMJMVEHF-UHFFFAOYSA-N","135409037",NA,"PDBC14024","655457","Present"
-"2-(3-Aminopropylsulfanyl)acetic acid","","","","","","","","","","","","","","","","","","","","((3-Aminopropyl)thio)acetic acid","","C(CN)CSCC(=O)O","DRPIARVWHCYTHL-UHFFFAOYSA-N","362708",NA,"PDBC14025","626947","Present"
-"2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one","","","","","","","","","","","","","","","","","","","","2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one","","C1=CC=C(C=C1)CN2C(=O)C(SC2=S)C3C(=O)NC4=CC=CC=C4S3","UVLNNIKGDNAHSD-UHFFFAOYSA-N","327685",NA,"PDBC14026","303751","Present"
-"2-(3-Benzyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(3-Benzyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione","","C1CCC2C(C1)C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=CC=C4","LZKYMKWCDMLTJE-UHFFFAOYSA-N","387567",NA,"PDBC14027","681524","Present"
-"2-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione","","C1C=CCC2C1C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=CC=C4","GSTNNBSMXDUVBT-UHFFFAOYSA-N","387565",NA,"PDBC14028","681522","Present"
-"2-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione","","C1=CC=C(C=C1)CC2=NNC(=O)N2N3C(=O)C4=CC=CC=C4C3=O","VRTFUOXGOQKKDI-UHFFFAOYSA-N","390057",NA,"PDBC14029","686971","Present"
-"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-dioxoisoindol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-dioxoisoindol-2-yl)acetamide","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NN4C(=O)C5=CC=CC=C5C4=O","LHWRKXRBLICGLE-UHFFFAOYSA-N","402053",NA,"PDBC14030","715748","Present"
-"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-dioxopyrrolidin-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-dioxopyrrolidin-1-yl)acetamide","","C1CC(=O)N(C1=O)NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4","GYEUKVOSDKYKKX-UHFFFAOYSA-N","402040",NA,"PDBC14031","715735","Present"
-"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NC4=CC=C(C=C4)Br","JWBGEYOQJUEEJJ-UHFFFAOYSA-N","402023",NA,"PDBC14032","715718","Present"
-"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide","","C1C(=O)N(C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5","SKYUCLJLPXAXTD-UHFFFAOYSA-N","402042",NA,"PDBC14033","715737","Present"
-"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NC4=CC=CC=C4","MTDZODBUQZPTLJ-UHFFFAOYSA-N","402024",NA,"PDBC14034","715719","Present"
-"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetohydrazide","","","","","","","","","","","","","","","","","","","","2-[(3-Benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetohydrazide","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NN","LOGXOPTUYALXTC-UHFFFAOYSA-N","402019",NA,"PDBC14035","715714","Present"
-"2-(3-Bromo-11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-(3-Bromo-11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3,4,5-triol","","C1C(C(C(C(O1)N2C3=C(C=C(C=C3)Br)C4=C2C5=C(C=C4)C6=CC=CC=C6N5)O)O)O","ZBCFRWVVLBKZQZ-UHFFFAOYSA-N","392234",NA,"PDBC14036","692366","Present"
-"2-(3-Bromo-4-dimethylamino benzylidene)-1-indanone","","","","","","","","","","","","","","","","","","","","2-(3-Bromo-4-dimethylamino benzylidene)-1-indanone","","CN(C)C1=C(C=C(C=C1)C=C2CC3=CC=CC=C3C2=O)Br","FUMBCVQBUYLADV-NTEUORMPSA-N","5351389",NA,"PDBC14037","643163","Present"
-"2-(3-Bromo-4-methoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Bromo-4-methoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)et...","","COC1=C(C=C(C=C1)CCNC(=O)CC2=CC(=C(C=C2)OC)Br)OC","JVRIZFKXHFRQER-UHFFFAOYSA-N","366187",NA,"PDBC14038","634514","Present"
-"2-(3-Bromoanilino)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-(3-Bromoanilino)-9H-purin-6-ol","","C1=CC(=CC(=C1)Br)NC2=NC3=C(C(=O)N2)NC=N3","BUNAHRVWOLPOOR-UHFFFAOYSA-N","135409189",NA,"PDBC14039","664574","Present"
-"2-(3-Bromoanilino)acetohydrazide","","","","","","","","","","","","","","","","","","","","Glycine, N-(3-bromophenyl)-, hydrazide","","C1=CC(=CC(=C1)Br)NCC(=O)NN","DTNPEGXILXIBQR-UHFFFAOYSA-N","302654",NA,"PDBC14040","190336","Present"
-"2-(3-Bromophenyl)-3-(4-chlorobenzyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(3-Bromophenyl)-3-(4-chlorobenzyl)quinoxaline","","C1=CC=C2C(=C1)N=C(C(=N2)C3=CC(=CC=C3)Br)CC4=CC=C(C=C4)Cl","BMLMZAZFQSPAPA-UHFFFAOYSA-N","403653",NA,"PDBC14041","718721","Present"
-"2-(3-Bromophenyl)-4,5,6,7-tetraphenyl-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(3-bromophenyl)-4,5,6,7-tetraphenylisoindoline-1,3-dione","","C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)C5=CC(=CC=C5)Br)C6=CC=CC=C6)C7=CC=CC=C7","SPTALXNUGLKVMJ-UHFFFAOYSA-N","366052",NA,"PDBC14042","634226","Present"
-"2-(3-Bromophenylmethylene)-1-indanone","","","","","","","","","","","","","","","","","","","","AB01318947-02","","C1C2=CC=CC=C2C(=O)C1=CC3=CC(=CC=C3)Br","BVIWTKYMZMLBTA-MDWZMJQESA-N","5469389",NA,"PDBC14043","687663","Present"
-"2-(3-Butenyl)cycloheptanone dimethylhydrazone","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-But-3-enylcycloheptylidene)amino]-N-methyl-methanamine","","CN(C)N=C1CCCCCC1CCC=C","JHDFENFBBMSVAW-BUHFOSPRSA-N","9571649",NA,"PDBC14044","695236","Present"
-"2-(3-Butynyloxy)-2-methoxy-5,5-dimethyl-2,5-dihydro-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(3-Butynyloxy)-2-methoxy-5,5-dimethyl-2,5-dihydro-1,3,4-oxadiazole","","CC1(N=NC(O1)(OC)OCCC#C)C","MOHMDLVUOUWRMM-UHFFFAOYSA-N","380446",NA,"PDBC14045","665973","Present"
-"2-(3-Carboxyanilino)-3-nitrobenzoic acid","","","","","","","","","","","","","","","","","","","","2-(3-Carboxyanilino)-3-nitrobenzoic acid","","C1=CC(=CC(=C1)NC2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C(=O)O","OADNRDRCKJFASV-UHFFFAOYSA-N","393671",NA,"PDBC14046","696047","Present"
-"2-(3-Chloro-1,3-bis(hydroxy(oxido)amino)-2-propenylidene)-2,3-dihydro-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","2-(3-Chloro-1,3-bis(hydroxy(oxido)amino)-2-propenylidene)-2,3-dihydro-1,3-benzoxazole","","C1=CC=C2C(=C1)NC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])O2","IGEZNWXDYLLDLO-FWMCCXIMSA-N","6271253",NA,"PDBC14047","673154","Present"
-"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-diethylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","Acetamide, .alpha.-(2-chloro-1,4-dihydro- 1,4-dioxonapht...","","CCC1=C(C(=CC=C1)CC)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","CEPOONXTYNXFSS-UHFFFAOYSA-N","366176",NA,"PDBC14048","634503","Present"
-"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-dimethylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-dimethylphenyl)acetamide","","CC1=C(C(=CC=C1)C)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","GMGMKZMQQOCXPX-UHFFFAOYSA-N","366175",NA,"PDBC14049","634502","Present"
-"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2-ethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2-ethoxyphenyl)acetamide","","CCOC1=CC=CC=C1NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","WKZKDGZXUGVVHY-UHFFFAOYSA-N","361023",NA,"PDBC14050","623757","Present"
-"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-phenylacetamide","","C1=CC=C(C=C1)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","WJXMCGGGLJDFDA-UHFFFAOYSA-N","367615",NA,"PDBC14051","637447","Present"
-"2-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-cyano-N-(2-ethylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-cyano-N-(2-ethylphenyl)acetamide","","CCC1=CC=CC=C1NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","IIRZPOIKPRSNPL-UHFFFAOYSA-N","358872",NA,"PDBC14052","618997","Present"
-"2-(3-Chloro-3-p-tolyl-allylidene)-malonitrile","","","","","","","","","","","","","","","","","","","","2-(3-Chloro-3-p-tolyl-allylidene)-malonitrile","","CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)Cl","MTQCJPNCSBYEMH-QPEQYQDCSA-N","5473088",NA,"PDBC14053","723645","Present"
-"2-(3-Chloro-4-fluorophenyl)-5-[3-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(3-chloro-4-fluorophenyl)-5-(3-(3,4,5-trimethoxyphenyl...","","COC1=CC(=CC(=C1OC)OC)C2=NC(=C3N2C=CC=C3)C4=NN=C(O4)C5=CC(=C(C=C5)F)Cl","WARMZWHBBWRZTA-UHFFFAOYSA-N","155814549",NA,"PDBC14054","763639","Present"
-"2-(3-Chloro-benzenesulfonylimino)-imidazolidine-1-carbodithi oic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester","","","","","","","","","","","","","","","","","","","","2-(3-Chloro-benzenesulfonylimino)-imidazolidine-1-carbod...","","C1CN(C(=N1)NS(=O)(=O)C2=CC(=CC=C2)Cl)C(=S)SN3CCN4C3=NSC4=S","ZGHYJHPWNLCBRG-UHFFFAOYSA-N","24205514",NA,"PDBC14055","736069","Present"
-"2-(3-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-","","C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(N2)N=CC=C3","HZSAAZXBYZMFJN-UHFFFAOYSA-N","386586",NA,"PDBC14056","679034","Present"
-"2-(3-Chloro-phenyl)-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Chlorophenyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)Cl)NC4C(C(C(C(O4)CO)O)O)O","WHIMPHKFRJHNNB-UHFFFAOYSA-N","363484",NA,"PDBC14057","628408","Present"
-"2-(3-Chloroanilino)-3,7-dihydropurin-6-one","","","","","","","","","","","","","","","","","","","","2-(3-Chloroanilino)-9H-purin-6-ol","","C1=CC(=CC(=C1)Cl)NC2=NC3=C(C(=O)N2)NC=N3","GZSSIAWYAPMXAK-UHFFFAOYSA-N","135435079",NA,"PDBC14058","681686","Present"
-"2-(3-Chloroanilino)-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Chloroanilino)-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one","","C1=CC=C(C=C1)C=CC=NN2C(=O)C3=CC=CC=C3N=C2NC4=CC(=CC=C4)Cl","SIYRQDMKYIPYJX-WGXYEJQQSA-N","9572425",NA,"PDBC14059","716048","Present"
-"2-(3-Chloroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Chloroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC(=CC=C4)Cl","ISCOOVSEXNSHME-UHFFFAOYSA-N","376431",NA,"PDBC14060","657345","Present"
-"2-(3-Chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(3-Chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC(=CC=C4)Cl","TWIYDOGQCIIPPR-UHFFFAOYSA-N","364769",NA,"PDBC14061","631528","Present"
-"2-(3-Chlorobenzyl)-3(2H)-cinnolinone","","","","","","","","","","","","","","","","","","","","2-(3-Chlorobenzyl)-3(2H)-cinnolinone","","C1=CC2=CC(=O)N(N=C2C=C1)CC3=CC(=CC=C3)Cl","SIXVZTAGCBDPPF-UHFFFAOYSA-N","368580",NA,"PDBC14062","639676","Present"
-"2-(3-Chlorobenzylidene)cycloheptane-1-one","","","","","","","","","","","","","","","","","","","","2-(3-Chlorobenzylidene)cycloheptane-1-one","","C1CCC(=CC2=CC(=CC=C2)Cl)C(=O)CC1","VTDQASDBYAELFK-FMIVXFBMSA-N","5469548",NA,"PDBC14063","689957","Present"
-"2-(3-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","7H-Pyrido[3,2-d][1]benzazepin-6-one, 2-(3-chlorophenyl)-...","","C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC(=CC=C5)Cl","OUUZVUWPJALXST-UHFFFAOYSA-N","389012",NA,"PDBC14064","684480","Present"
-"2-(3-Chlorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)- 5,7-dime...","","CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC(=CC=C3)Cl)C","NOFNRYRLTLGEFI-UHFFFAOYSA-N","5468915",NA,"PDBC14065","679038","Present"
-"2-(3-Chlorophenyl)-5-methyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-5-methyl-","","CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC(=CC=C3)Cl","ZBQNAMZDRCCHEF-UHFFFAOYSA-N","386587",NA,"PDBC14066","679035","Present"
-"2-(3-Chlorophenyl)-5-methyl-4-[(E)-(3-oxonaphthalen-2-ylidene)methyl]-1H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","2-(3-Chlorophenyl)-5-methyl-4-[(E)-(3-oxonaphthalen-2-ylidene)methyl]-1H-pyrazol-3-one","","CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C=C3C=C4C=CC=CC4=CC3=O","KMDGIGAWIDZJQR-MHWRWJLKSA-N","54613497",NA,"PDBC14067","751277","Present"
-"2-(3-Chlorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-6-methyl-","","CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)Cl)N=C1","FSWIIQLXZOJBSF-UHFFFAOYSA-N","386588",NA,"PDBC14068","679036","Present"
-"2-(3-Chlorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-7-methyl-","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC(=CC=C3)Cl","NLUIDPUCPOHWAM-UHFFFAOYSA-N","5468914",NA,"PDBC14069","679037","Present"
-"2-(3-Chloropropanoyl)-1,2-dihydroisoquinoline-1-carbonitrile","","","","","","","","","","","","","","","","","","","","ACM32409953","","C1=CC=C2C(N(C=CC2=C1)C(=O)CCCl)C#N","OVKNQLCXEQHYLH-UHFFFAOYSA-N","317098",NA,"PDBC14070","246968","Present"
-"2-(3-Chloropropyl)-2,3-dihydro-1,4-benzodioxine","","","","","","","","","","","","","","","","","","","","2-(3-Chloropropyl)-2,3-dihydro-1,4-benzodioxine","","C1C(OC2=CC=CC=C2O1)CCCCl","SDQZGFJYKGIPLO-UHFFFAOYSA-N","377582",NA,"PDBC14071","659150","Present"
-"2-(3-Chloropropyloxy)naphthazarin","","","","","","","","","","","","","","","","","","","","2-(3-chloropropyloxy)naphthazarin","","C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)OCCCCl)O","ZLWSJWDUCGYJOA-UHFFFAOYSA-N","378771",NA,"PDBC14072","661941","Present"
-"2-(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile","","CC1=CC(=NC(=C1C#N)SC2=NC(=C(C(=C2C#N)C)[N+](=O)[O-])C)C","JAYWMTKQELTVCM-UHFFFAOYSA-N","334421",NA,"PDBC14073","339594","Present"
-"2-(3-Cyano-5,5-dimethyl-4-(2-(4-pyridinyl)vinyl)-2(5H)-furanylidene)malononitrile","","","","","","","","","","","","","","","","","","","","2-(3-Cyano-5,5-dimethyl-4-(2-(4-pyridinyl)vinyl)-2(5H)-furanylidene)malononitrile","","CC1(C(=C(C(=C(C#N)C#N)O1)C#N)C=CC2=CC=NC=C2)C","XXPCRXZTYVDCJZ-ONEGZZNKSA-N","5469325",NA,"PDBC14074","686342","Present"
-"2-(3-Cyclopentyloxy-4-methoxyphenyl)-1-cyclopropyl-4,5-diphenylimidazole","","","","","","","","","","","","","","","","","","","","2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-1-cyclopropyl-4,5...","","COC1=C(C=C(C=C1)C2=NC(=C(N2C3CC3)C4=CC=CC=C4)C5=CC=CC=C5)OC6CCCC6","PKBLKAVYBMQEQZ-UHFFFAOYSA-N","101887362",NA,"PDBC14075","771426","Present"
-"2-(3-Cyclopentyloxy-4-methoxyphenyl)-4,5-diphenyl-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-4,5-diphenyl-1H-i...","","COC1=C(C=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)OC5CCCC5","ZIIQYJOAYAEKNK-UHFFFAOYSA-N","101887360",NA,"PDBC14076","771434","Present"
-"2-(3-Dimethylamino-phenyl)-6,7-dimethoxy-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Dimethylamino-phenyl)-6,7-dimethoxy-1H-quinolin-4-one","","CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=CC(=C(C=C3N2)OC)OC","PJWSCEXBDGWQOM-UHFFFAOYSA-N","375363",NA,"PDBC14077","654987","Present"
-"2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4-one","","CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)OC","UOIMUFPOYNIRLB-UHFFFAOYSA-N","379511",NA,"PDBC14078","664168","Present"
-"2-(3-Ethoxy-4-hydroxyphenyl)-3-[2-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Ethoxy-4-hydroxyphenyl)-3-[2-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one","","CCOC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC(=C(C=C7)O)OCC)O","VVWWZRCNTGXOOA-UHFFFAOYSA-N","398511",NA,"PDBC14079","708422","Present"
-"2-(3-Ethyl-4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide","","","","","","","","","","","","","","","","","","","","(E)-2-((3-ethyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)-...","","CCC1=C(C2=C(C(=C(C=C2)OCC(=O)N=NC3=C(NC4=CC=CC=C43)O)C)OC1=O)C","MHVHEFRPWOJOAG-UHFFFAOYSA-N","155815030",NA,"PDBC14080","795489","Present"
-"2-(3-Ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-ylidenemethyl)-3-methyl-5-(ethoxycarbonyl)-1H-pyrrole-4-propionic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate","","CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)C(=O)OCC)CCC(=O)OCC)C)C","QHLGEWFJGYRRAC-BOPFTXTBSA-N","6520746",NA,"PDBC14081","718504","Present"
-"2-(3-Ethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(3-Ethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione","","CCC1=NNC(=O)N1N2C(=O)C3CCCCC3C2=O","JPGFPHFQUHXOEH-UHFFFAOYSA-N","388168",NA,"PDBC14082","682732","Present"
-"2-(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione","","CCC1=NNC(=O)N1N2C(=O)C3CC=CCC3C2=O","IBTIDGSNJWDMFM-UHFFFAOYSA-N","387564",NA,"PDBC14083","681521","Present"
-"2-(3-Ethylureido)-6-methylpyridine","","","","","","","","","","","","","","","","","","","","UDP-4","","CCNC(=O)NC1=CC=CC(=N1)C","HYZAWROTMYAUAQ-UHFFFAOYSA-N","126618",NA,"PDBC14084","656958","Present"
-"2-(3-Ethynylphenyl)-5-[4-[[4-[2-(3-ethynylphenyl)-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl]phenyl]methyl]phenyl]-4,6,7-triphenyl-isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","6,6'-(4,4'-methylenebis(4,1-phenylene))bis(2-(3-ethynylp...","","C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)CC7=CC=C(C=C7)C8=C(C9=C(C(=C8C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N(C9=O)C1=CC=CC(=C1)C#C)C1=CC=CC=C1)C1=CC=CC=C1","PCUGFOAIDOVAPQ-UHFFFAOYSA-N","16129766",NA,"PDBC14085","633251","Present"
-"2-(3-Fluorobenzylidene)cycloheptane-1-one","","","","","","","","","","","","","","","","","","","","2-(3-Fluorobenzylidene)cycloheptane-1-one","","C1CCC(=CC2=CC(=CC=C2)F)C(=O)CC1","SBGXNYWOLDKUOX-FMIVXFBMSA-N","5469550",NA,"PDBC14086","689959","Present"
-"2-(3-Fluorophenyl)-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","Z666586360","","C1=CC=C2C(=C1)C(=O)NC(=N2)C3=CC(=CC=C3)F","SZXYHOIFTIWFNM-UHFFFAOYSA-N","135489883",NA,"PDBC14087","690276","Present"
-"2-(3-Fluorophenyl)-4,6-dimethoxy-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2,4-Dimethoxy-6-(3'-fluorophenyl)-1,3,5-triazine","","COC1=NC(=NC(=N1)C2=CC(=CC=C2)F)OC","XITBTGCUXWCQIV-UHFFFAOYSA-N","405722",NA,"PDBC14088","723250","Present"
-"2-(3-Fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrr...","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC(=CC=C4)F","YLXMCAADMWSAEH-UHFFFAOYSA-N","53361472",NA,"PDBC14089","749868","Present"
-"2-(3-Fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b...","","C1=CC(=CC(=C1)F)C2=NC(=CS2)C3=CNC4=C3C=CC=N4","GZBXLRAATULXMI-UHFFFAOYSA-N","54613609",NA,"PDBC14090","749867","Present"
-"2-(3-Fluorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(3-Fluorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one","","CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC(=CC=C3)F)C","JNJKKBAULISGAT-UHFFFAOYSA-N","5468785",NA,"PDBC14091","676192","Present"
-"2-(3-Fluorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(3-Fluorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one","","CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)F)N=C1","AMJPGRQDFBNSON-UHFFFAOYSA-N","385186",NA,"PDBC14092","676190","Present"
-"2-(3-Fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(3-Fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC(=CC=C3)F","AFJQIXFUZDUCHX-UHFFFAOYSA-N","5468784",NA,"PDBC14093","676191","Present"
-"2-(3-Furyl)-4-methyl-2,3-dihydro-1H-1,5-benzodiazepine","","","","","","","","","","","","","","","","","","","","2-(3-Furyl)-4-methyl-2,3-dihydro-1H-1,5-benzodiazepine","","CC1=NC2=CC=CC=C2NC(C1)C3=COC=C3","ONXPPDDQLOKPDH-UHFFFAOYSA-N","367777",NA,"PDBC14094","637716","Present"
-"2-(3-Hydroxy-2-phenyl-4H-pyrazolo[1,5-a]indol-4-yl)ethyl acetate","","","","","","","","","","","","","","","","","","","","2-(3-Hydroxy-2-phenyl-4H-pyrazolo[1,5-a]indol-4-yl)ethyl acetate","","CC(=O)OCCC1C2=CC=CC=C2N3C1=C(C(=N3)C4=CC=CC=C4)O","XCDDVPRGKBRWIM-UHFFFAOYSA-N","385319",NA,"PDBC14095","676436","Present"
-"2-(3-Hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(3-(hydroxy(oxido)amino)phenyl)-2-(((4-methylphenyl)sulfonyl)hydrazono)acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(4-Methylphenyl)sulfonylhydrazinylidene]-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-N-(3-nitrophenyl)acetamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]","LHGNMEIQHNGABT-MEFGMAGPSA-N","135499161",NA,"PDBC14096","641604","Present"
-"2-(3-Hydroxy-6-methyl-2-quinoxalinyl)-1-(2-naphthyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(3-Hydroxy-6-methylquinoxalin-2-yl)-1-(naphthalen-2-yl...","","CC1=CC2=C(C=C1)N=C(C(=O)N2)CC(=O)C3=CC4=CC=CC=C4C=C3","SEYYOHAUIYZCIO-UHFFFAOYSA-N","341294",NA,"PDBC14097","373058","Present"
-"2-(3-Hydroxyadamantan-1-yl)acetic acid","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3-adamantaneacetic acid","","C1C2CC3(CC1CC(C2)(C3)O)CC(=O)O","JFMDWSCOQLUOCZ-UHFFFAOYSA-N","429307",NA,"PDBC14098","252898","Present"
-"2-(3-Hydroxypropyl)-2,12,12-trimethylcyclododecanone","","","","","","","","","","","","","","","","","","","","2-(3-Hydroxypropyl)-2,12,12-trimethylcyclododecanone","","CC1(CCCCCCCCCC(C1=O)(C)CCCO)C","JNIUOAYARRBAAN-UHFFFAOYSA-N","385901",NA,"PDBC14099","677302","Present"
-"2-(3-Hydroxypropyl)-2,8,8-trimethylcyclooctanone","","","","","","","","","","","","","","","","","","","","2-(3-Hydroxypropyl)-2,8,8-trimethylcyclooctanone","","CC1(CCCCCC(C1=O)(C)CCCO)C","XUSLTPZOZMXZSJ-UHFFFAOYSA-N","385903",NA,"PDBC14100","677304","Present"
-"2-(3-Imino-1-phenyl-4-pyrazolidinyl)-N-(2-methylphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(3-Imino-1-phenyl-4-pyrazolidinyl)-N-(2-methylphenyl)-2-oxoacetamide","","CC1=CC=CC=C1NC(=O)C(=O)C2CN(N=C2N)C3=CC=CC=C3","KCMLETIBASZIJT-UHFFFAOYSA-N","361448",NA,"PDBC14101","624470","Present"
-"2-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=NC=CS3","CGTRBXZYJYUZHW-UHFFFAOYSA-N","364962",NA,"PDBC14102","631848","Present"
-"2-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)N","CSAKAPYQGJKLFJ-UHFFFAOYSA-N","360655",NA,"PDBC14103","622973","Present"
-"2-(3-Imino-6-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]quinoxalin-1-yl)-N,N-dimethylethanamine","","","","","","","","","","","","","","","","","","","","2-(3-Imino-6-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]quinoxalin-1-yl)-N,N-dimethylethanamine","","CN(C)CCN1C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=N1)N","PMHIGNGCXWUSEW-UHFFFAOYSA-N","394343",NA,"PDBC14104","697712","Present"
-"2-(3-Iminobenzo[f]chromen-2-yl)quinazolin-4-ol","","","","","","","","","","","","","","","","","","","","2-(3-Iminobenzo[f]chromen-2-yl)-1H-quinazolin-4-one","","C1=CC=C2C(=C1)C=CC3=C2C=C(C(=N)O3)C4=NC5=CC=CC=C5C(=O)N4","XQGKOSUVQGKETE-UHFFFAOYSA-N","135489852",NA,"PDBC14105","684976","Present"
-"2-(3-Iodo-4-hydroxy-5-methoxyphenyl)-3-(4-chlorophenyl)thiazolidine-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidin-4-one","","COC1=C(C(=CC(=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)Cl)I)O","VPUNEHVWCPVDTM-UHFFFAOYSA-N","402891",NA,"PDBC14106","717208","Present"
-"2-(3-Isoapropoxyphenyl)-3-phenylamino-2H-pyrido[4,2,4-thiadiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-(3-Isoapropoxyphenyl)-3-phenylamino-2H-pyrido[4,3-e]-1...","","CC(C)OC1=CC=CC(=C1)N2C(=NC3=C(S2(=O)=O)C=NC=C3)NC4=CC=CC=C4","BMQQODUXTIJXJO-UHFFFAOYSA-N","399798",NA,"PDBC14107","710897","Present"
-"2-(3-Isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(3-Isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride","","CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=CC=C3)N=C=S.Cl","OMHANSMMAIPTPO-HLRBRJAUSA-N","54611468",NA,"PDBC14108","707824","Present"
-"2-(3-Mesityl-5-(4-methoxyphenyl)-4-isoxazolyl)-1,4,5,6-tetrahydropyrimidine","","","","","","","","","","","","","","","","","","","","3-(2,4,6-Trimethylphenyl)-4-(2-tetrahydroprimidinyl)-5- ...","","CC1=CC(=C(C(=C1)C)C2=NOC(=C2C3=NCCCN3)C4=CC=C(C=C4)OC)C","NWBBVTMWPWDMNB-UHFFFAOYSA-N","371104",NA,"PDBC14109","645051","Present"
-"2-(3-Methoxy-3-methyl-butane)-3-indole-acetic acid N(^pi)-methylhistamine amide","","","","","","","","","","","","","","","","","","","","2-[2-(3-Methoxy-3-methylbutyl)-1H-indol-3-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide","","CC(C)(CCC1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN=CN3C)OC","IVBJGZCJIPBHBU-UHFFFAOYSA-N","398078",NA,"PDBC14110","707443","Present"
-"2-(3-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbodith ioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester","","","","","","","","","","","","","","","","","","","","2-(3-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbo...","","COC1=CC(=CC=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S","QLBZXUCFNVCARB-UHFFFAOYSA-N","24205511",NA,"PDBC14111","736066","Present"
-"2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-4-one","","COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N4CCOCC4","BSCMVEMZGHZNBZ-UHFFFAOYSA-N","379512",NA,"PDBC14112","664169","Present"
-"2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","4(1H)-Quinolinone, 6-(1-pyrrolidinyl)-2-(3- methoxyphenyl)-","","COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N4CCCC4","GVMDHCGKOFHSHB-UHFFFAOYSA-N","379514",NA,"PDBC14113","664171","Present"
-"2-(3-Methoxyanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","COC1=CC=CC(=C1)NCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4","QGSXHNDWNRJDQT-UHFFFAOYSA-N","376436",NA,"PDBC14114","657350","Present"
-"2-(3-Methoxyphenyl)-1,8-naphthyridin-4(1h)-one","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenyl)-1,8-naphthyridin-4(1h)-one","","COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)N=CC=C3","DVIFGVPPUSCDGE-UHFFFAOYSA-N","381133",NA,"PDBC14115","667450","Present"
-"2-(3-Methoxyphenyl)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone;oxalic acid","","","","","","","","","","","","","","","","","","","","1-[(3-Methoxyphenyl)acetyl]-4-(3-phenylpropyl)piperazine ethanedioate","","COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O","ZUULNFFVGKGXGK-UHFFFAOYSA-N","401819",NA,"PDBC14116","715539","Present"
-"2-(3-Methoxyphenyl)-2,13b-dihydro-1H-benzimidazo[1,2-a]pyrazolo[4,3-c]quinolin-1-amine","","","","","","","","","","","","","","","","","","","","4-(3-Methoxyphenyl)-4,5,13,20-tetrazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(20),5,7,9,11,14,16,18-octaen-3-amine","","COC1=CC=CC(=C1)N2C(C3C(=N2)C4=CC=CC=C4N5C3=NC6=CC=CC=C65)N","JHUBGNJWZUIEKN-UHFFFAOYSA-N","392514",NA,"PDBC14117","693031","Present"
-"2-(3-Methoxyphenyl)-3a,3b,4,5,6,6a,11,11b-octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","4-(3-Methoxyphenyl)-4,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5-dione","","COC1=CC=CC(=C1)N2C(=O)C3C4CCCC4C5=C(C3C2=O)NC6=CC=CC=C65","OHMBYDILZVAUPW-UHFFFAOYSA-N","378587",NA,"PDBC14118","661227","Present"
-"2-(3-Methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one","","CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC(=CC=C3)OC)C","YKYNUSIUKQDIRP-UHFFFAOYSA-N","5468699",NA,"PDBC14119","674679","Present"
-"2-(3-Methoxyphenyl)-5,9-dimethyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","4-(3-Methoxyphenyl)-9,16-dimethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)C)C(=O)N(C3=O)C6=CC(=CC=C6)OC","NANZBUUOWZZXFV-UHFFFAOYSA-N","381739",NA,"PDBC14120","668599","Present"
-"2-(3-Methoxyphenyl)-5-methyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4-ol","","CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC(=CC=C3)OC","LLTSXLVHZVTDMZ-UHFFFAOYSA-N","384634",NA,"PDBC14121","674677","Present"
-"2-(3-Methoxyphenyl)-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenyl)-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one","","CC1C(=O)N(C(S1)C2=CC(=CC=C2)OC)CCC3=CC=CS3","JJTPJRZBNBSRAB-UHFFFAOYSA-N","60147817",NA,"PDBC14122","752473","Present"
-"2-(3-Methoxyphenyl)-5-neopentyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenyl)-5-neopentyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CC(C)(C)CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC(=CC=C5)OC","QRWXHCBPNZPYER-UHFFFAOYSA-N","378588",NA,"PDBC14123","661228","Present"
-"2-(3-Methoxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC(=CC=C3)OC","DWZSCRKWOLCKGR-UHFFFAOYSA-N","364119",NA,"PDBC14124","629788","Present"
-"2-(3-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one","","CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)OC)N=C1","KEHHYURJHUIQKN-UHFFFAOYSA-N","381134",NA,"PDBC14125","667451","Present"
-"2-(3-Methoxyphenyl)-6-piperidin-1-yl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenyl)-6-(piperidin-1-yl)quinolin-4(1H)-one","","COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N4CCCCC4","CRDNHGGEVYYBPA-UHFFFAOYSA-N","381129",NA,"PDBC14126","667446","Present"
-"2-(3-Methoxyphenyl)-7-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(3-methoxyphenyl)-7-methyl-","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC(=CC=C3)OC","UEXKSRLFFBWLCG-UHFFFAOYSA-N","5468698",NA,"PDBC14127","674678","Present"
-"2-(3-Methoxyphenyl)quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","CS-M2491","","COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2","DUQSFLFKFAGWIS-UHFFFAOYSA-N","135486399",NA,"PDBC14128","682437","Present"
-"2-(3-Methoxyphenyl)quinolin-4(1h)-one","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenyl)quinolin-4(1h)-one","","COC1=CC=CC(=C1)C2=CC(=O)C3=CC=CC=C3N2","NINMRZJWLHKQKT-UHFFFAOYSA-N","375359",NA,"PDBC14129","654983","Present"
-"2-(3-Methoxyphenylmethylene)-1-cycloheptanone","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenylmethylene)-1-cycloheptanone","","COC1=CC=CC(=C1)C=C2CCCCCC2=O","QWFOPTCAMZYFJR-JLHYYAGUSA-N","5469544",NA,"PDBC14130","689953","Present"
-"2-(3-Methyl-1,3-oxazolidin-2-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(3-Methyl-1,3-oxazolidin-2-yl)phenol","","CN1CCOC1C2=CC=CC=C2O","VOYYOKKUZFMQPX-UHFFFAOYSA-N","388445",NA,"PDBC14131","683371","Present"
-"2-(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2-oxoethyl 1-azepanecarbodithioate","","","","","","","","","","","","","","","","","","","","2-(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2-oxoethyl 1-azepanecarbodithioate","","CN1C2=C(C=C(C=C2)C(=O)CSC(=S)N3CCCCCC3)OC1=O","YEXQQFPGCAQANB-UHFFFAOYSA-N","377208",NA,"PDBC14132","658438","Present"
-"2-(3-Methyl-4-(sulfoamine)phenyl)benzo[d]thiazole, sodium salt","","","","","","","","","","","","","","","","","","","","2-(3-Methyl-4-(sulfoamine)phenyl)benzo[d]thiazole, sodiu...","","CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)O.[Na+]","KGEDMZUXMXUVPA-UHFFFAOYSA-N","54608980",NA,"PDBC14133","697526","Present"
-"2-(3-Methyl-4-aminophenyl)benzothiazole-5-ol","","","","","","","","","","","","","","","","","","","","2-(3-Methyl-4-aminophenyl)benzothiazole-5-ol","","CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)O)N","LQCKHFDCMYFMGM-UHFFFAOYSA-N","396814",NA,"PDBC14134","703787","Present"
-"2-(3-Methyl-4-phenylpiperazin-1-yl)ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC87112","","CC1CN(CCN1C2=CC=CC=C2)CCO.Cl","RORITWMOYZDFAH-UHFFFAOYSA-N","24189273",NA,"PDBC14135","87112","Present"
-"2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)-2-thiazoline","","","","","","","","","","","","","","","","","","","","2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)-2-thiazoline","","CN1C=NC(=C1SC2=NCCS2)[N+](=O)[O-]","SZOFRUVPZXTIAA-UHFFFAOYSA-N","364621",NA,"PDBC14136","631153","Present"
-"2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanyl-3H-imidazo[4,5-b]pyridine","","","","","","","","","","","","","","","","","","","","2-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-imidazo[4,5-b]pyridine","","CN1C=NC(=C1SC2=NC3=C(N2)C=CC=N3)[N+](=O)[O-]","COQIPMYJLGYACL-UHFFFAOYSA-N","364607",NA,"PDBC14137","631135","Present"
-"2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","1H-Benzimidazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-5-nitro-","","CN1C=NC(=C1SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","LZKIRLIUPOKKBU-UHFFFAOYSA-N","364603",NA,"PDBC14138","631131","Present"
-"2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylpyridine","","","","","","","","","","","","","","","","","","","","2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylpyridine","","CN1C=NC(=C1SC2=CC=CC=N2)[N+](=O)[O-]","XENAPVUVHXXRRF-UHFFFAOYSA-N","364613",NA,"PDBC14139","631142","Present"
-"2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylpyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylpyrimidin-4-ol","","CN1C=NC(=C1SC2=NC=CC(=O)N2)[N+](=O)[O-]","GYNMAAFHDIRDFZ-UHFFFAOYSA-N","364615",NA,"PDBC14140","631145","Present"
-"2-(3-Methyl-5-oxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(3-Methyl-5-oxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione","","CC1=NNC(=O)N1N2C(=O)C3=CC=CC=C3C2=O","XYDDQDIRSFXNJT-UHFFFAOYSA-N","390056",NA,"PDBC14141","686970","Present"
-"2-(3-Methylbutylsulfanyl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-(3-Methylbutylsulfanyl)naphthalene-1,4-dione","","CC(C)CCSC1=CC(=O)C2=CC=CC=C2C1=O","MWXOICKRBDTGJY-UHFFFAOYSA-N","315743",NA,"PDBC14142","241494","Present"
-"2-(3-Methylene-1-azetidinyl)-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","2-(3-Methylene-1-azetidinyl)-4,5-dihydro-1,3-oxazole","","C=C1CN(C1)C2=NCCO2","RKVBMQAVJSPNFZ-UHFFFAOYSA-N","379845",NA,"PDBC14143","664977","Present"
-"2-(3-Methylphenyl)-2,3-dihydroquinazolin-4(1h)-one","","","","","","","","","","","","","","","","","","","","4(1H)-Quinazolinone, 2,3-dihydro-2-(3-methylphenyl)-","","CC1=CC(=CC=C1)C2NC3=CC=CC=C3C(=O)N2","IZRZUJFPYGNHRH-UHFFFAOYSA-N","292559",NA,"PDBC14144","158388","Present"
-"2-(3-Methylphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(3-Methylphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one","","CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=C(C=C3C)C","RXJJJRMOQDHINF-UHFFFAOYSA-N","5468783",NA,"PDBC14145","676189","Present"
-"2-(3-Methylphenyl)-5-methyl-1,8-naphthyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","5-Methyl-2-(3-methylphenyl)-1,8-naphthyridin-4-ol","","CC1=CC(=CC=C1)C2=CC(=O)C3=C(C=CN=C3N2)C","ZLZNSSZWWMBAMD-UHFFFAOYSA-N","385182",NA,"PDBC14146","676186","Present"
-"2-(3-Methylphenyl)-6-nitro-4h-3,1-benzoxazin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Methylphenyl)-6-nitro-4h-3,1-benzoxazin-4-one","","CC1=CC(=CC=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2","ALSLPTLXOJEJKL-UHFFFAOYSA-N","385048",NA,"PDBC14147","675969","Present"
-"2-(3-Methylphenyl)-6-pyrrolidin-1-yl-1H-quinoline-4-thione","","","","","","","","","","","","","","","","","","","","2-(3-Methylphenyl)-6-pyrrolidin-1-yl-1H-quinoline-4-thione","","CC1=CC(=CC=C1)C2=CC(=S)C3=C(N2)C=CC(=C3)N4CCCC4","KYDHNVIVQYFGMK-UHFFFAOYSA-N","5042811",NA,"PDBC14148","700271","Present"
-"2-(3-Morpholinopropionylamino)-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(3-morpholinopropanoylamino)thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)CCN2CCOCC2","VJZVJEWDALJRPW-UHFFFAOYSA-N","396829",NA,"PDBC14149","703833","Present"
-"2-(3-N(^tau)-Histaminesuccinimide-3-methyl-1-butanone)-indole acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-[3-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]imidazol-1-yl]-3-methylbutanoyl]-1H-indol-3-yl]acetate","","CC(C)(CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)OC)N3C=C(N=C3)CCN4C(=O)CCC4=O","NWPINTNBAXFHCO-UHFFFAOYSA-N","398080",NA,"PDBC14150","707445","Present"
-"2-(3-Nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)propanedinitrile","","","","","","","","","","","","","","","","","","","","(3-Nitro-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidene)propanedinitrile","","C1CCC(=C(C#N)C#N)C2=C(C1)C=CC(=C2)[N+](=O)[O-]","QJBUUFXCZZAXPD-UHFFFAOYSA-N","401107",NA,"PDBC14151","714001","Present"
-"2-(3-Nitroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(3-Nitroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC(=CC=C4)[N+](=O)[O-]","FYDLBNBDHQYMSQ-UHFFFAOYSA-N","376434",NA,"PDBC14152","657348","Present"
-"2-(3-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","OEAHDHOTBUXGEA-UHFFFAOYSA-N","384568",NA,"PDBC14153","674582","Present"
-"2-(3-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(3-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","XANGYFXKCZCTHO-UHFFFAOYSA-N","384553",NA,"PDBC14154","674567","Present"
-"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrazine","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CN=CC3=N2)N=O","ONSOYMLQPOYHMD-UHFFFAOYSA-N","339984",NA,"PDBC14155","369067","Present"
-"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CC=NC3=N2)N=O","QPWJAIUKYMKWGA-UHFFFAOYSA-N","339983",NA,"PDBC14156","369066","Present"
-"2-(3-Nitrophenyl)-4,5-diphenyl-1H-imidazole","","","","","","","","","","","","","","","","","","","","CBDivE_010914","","C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4","ITVOIJZUSZICMF-UHFFFAOYSA-N","262432",NA,"PDBC14157","95929","Present"
-"2-(3-Nitrophenyl)-5H-indeno[1,2-d]pyrimidine","","","","","","","","","","","","","","","","","","","","2-(3-Nitrophenyl)-5H-indeno[1,2-d]pyrimidine","","C1C2=CC=CC=C2C3=NC(=NC=C31)C4=CC(=CC=C4)[N+](=O)[O-]","KODIFUTVLXURDD-UHFFFAOYSA-N","387029",NA,"PDBC14158","680349","Present"
-"2-(3-Nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(3-Nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione","","C1=CC=C2C(=C1)NC3C(S2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]","YLNRKQNNHZDAES-UHFFFAOYSA-N","367051",NA,"PDBC14159","636379","Present"
-"2-(3-Oxo-2,4-dihydro-1H-quinoxalin-2-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-(3-Oxo-2,4-dihydro-1H-quinoxalin-2-yl)propanoic acid","","CC(C1C(=O)NC2=CC=CC=C2N1)C(=O)O","GBZUOJQTBDVDKV-UHFFFAOYSA-N","389685",NA,"PDBC14160","686140","Present"
-"2-(3-Oxo-2-phenacyl-indan-1-ylidene)indane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-Phenacyl-3-(1',3'-dioxoindan-2'-ylidene)-indan-1-one,","","C1=CC=C(C=C1)C(=O)CC2C(=C3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5C2=O","WSIXRANOLJEHJJ-UHFFFAOYSA-N","373904",NA,"PDBC14161","650910","Present"
-"2-(3-Oxo-5-phenylfuran-2-yl)-4H-1,4-benzothiazin-3-one","","","","","","","","","","","","","","","","","","","","2-(3-Oxo-5-phenyl-2-furyl)-4h-1,4-benzothiazin-3-one","","C1=CC=C(C=C1)C2=CC(=O)C(O2)C3C(=O)NC4=CC=CC=C4S3","BCFNPRUOACIRJE-UHFFFAOYSA-N","398014",NA,"PDBC14162","707087","Present"
-"2-(3-Phenyl-2-propenylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","(2Z)-2-[(E)-3-phenylprop-2-enylidene]cyclohexanone","","C1CCC(=O)C(=CC=CC2=CC=CC=C2)C1","XFFXAUBIJLXWQS-OOTJYPRASA-N","5382767",NA,"PDBC14163","151020","Present"
-"2-(3-Phenyl-2-propenylidene)cyclohexanone oxime","","","","","","","","","","","","","","","","","","","","2-(3-Phenyl-2-propenylidene)cyclohexanone oxime","","C1CCC(=NO)C(=CC=CC2=CC=CC=C2)C1","NTZJGJWGZJESSH-OVBGRPKISA-N","6376016",NA,"PDBC14164","145684","Present"
-"2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malononitrile","","","","","","","","","","","","","","","","","","","","2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malononitrile","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=C(C#N)C#N)N2C4=CC=CC=C4","MLADKRXBDKHQRM-UHFFFAOYSA-N","383253",NA,"PDBC14165","671367","Present"
-"2-(3-Piperidinopropionylamino)-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-[3-(1-piperidyl)propanoylamino]thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)CCN2CCCCC2","IEHREIGPZOQNPR-UHFFFAOYSA-N","396828",NA,"PDBC14166","703832","Present"
-"2-(3-Pyridin-2-yl-1,2,4-triazaspiro[4.5]dec-3-en-1-yl)-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","1-(1,3-Benzothiazol-2-yl)-3-(2-pyridyl)-1,2,4-triazaspiro[4.5]dec-3-ene","","C1CCC2(CC1)N=C(NN2C3=NC4=CC=CC=C4S3)C5=CC=CC=N5","SGBMKKOYUXVLMJ-UHFFFAOYSA-N","398870",NA,"PDBC14167","709091","Present"
-"2-(3-Pyridyl)-1-(4-pyridyl)-4-(2-thienyl)-4H-furo[3,4-b]pyridine-5,7-dione","","","","","","","","","","","","","","","","","","","","2-(3-Pyridyl)-1-(4-pyridyl)-4-(2-thienyl)-4H-furo[3,4-b]pyridine-5,7-dione","","C1=CC(=CN=C1)C2=CC(C3=C(N2C4=CC=NC=C4)C(=O)OC3=O)C5=CC=CS5","LROWRALVPVZZDK-UHFFFAOYSA-N","392299",NA,"PDBC14168","692575","Present"
-"2-(3-Pyridyl)benzothiazole","","","","","","","","","","","","","","","","","","","","2-(3-Pyridyl)benzothiazole","","C1=CC=C2C(=C1)N=C(S2)C3=CN=CC=C3","MUDNLVWBCWZIMA-UHFFFAOYSA-N","235922",NA,"PDBC14169","37812","Present"
-"2-(3-Pyridylmethylamino)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-(3-Pyridylmethylamino)-9H-purin-6-ol","","C1=CC(=CN=C1)CNC2=NC3=C(C(=O)N2)NC=N3","PPURMUWHHQALEI-UHFFFAOYSA-N","135418772",NA,"PDBC14170","682524","Present"
-"2-(3-Pyrrolizinopropionylamino)-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(3-pyrrolidin-1-ylpropanoylamino)thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)CCN2CCCC2","DPCGCBCJOCAXLF-UHFFFAOYSA-N","396827",NA,"PDBC14171","703831","Present"
-"2-(3-Tert-Butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)butanal","","","","","","","","","","","","","","","","","","","","2-(3-Tert-Butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)butanal","","CCC(C=O)P1(=O)N(CC(O1)(C)C)C(C)(C)C","KCPBRZSTCIPDLY-UHFFFAOYSA-N","395329",NA,"PDBC14172","699811","Present"
-"2-(3-Thietanyloxy)tetrahydro-2H-pyran","","","","","","","","","","","","","","","","","","","","2-(3-Thietanyloxy)tetrahydro-2H-pyran","","C1CCOC(C1)OC2CSC2","ZUSBYWIFLDBSNP-UHFFFAOYSA-N","373715",NA,"PDBC14173","650616","Present"
-"2-(3-Trifluoromethoxy-benzenesulfonylimino)-imidazolidin...","","","","","","","","","","","","","","","","","","","","2-(3-Trifluoromethoxy-benzenesulfonylimino)-imidazolidin...","","C1CN(C(=N1)NS(=O)(=O)C2=CC=CC(=C2)OC(F)(F)F)C(=S)SN3CCN4C3=NSC4=S","UWEMRDAZSRCRSC-UHFFFAOYSA-N","24205513",NA,"PDBC14174","736068","Present"
-"2-(3-Trifluoromethyl-4-nitro-benzyl)-1H-naphth[2,3-d]imidazo le","","","","","","","","","","","","","","","","","","","","2-(3-trifluoromethyl-4-nitro-benzyl)-1H-naphth[2,3-d]imi...","","C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F","UXKBPVNGOWRNSR-UHFFFAOYSA-N","406458",NA,"PDBC14175","724549","Present"
-"2-(3-{4-[5-(4-Methyl piperazino)-1H-benzo[d]imidazol-2-yl]phenoxy}propyl-2,3-dione","","","","","","","","","","","","","","","","","","","","2-(3-{4-[5-(4-methyl piperazino)-1H-benzo[d]imidazol-2-y...","","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O","KNRGNAFDDSPVOF-UHFFFAOYSA-N","24206027",NA,"PDBC14176","737735","Present"
-"2-(3a,7a-Dimethyl-1,3,4,5,6,7-hexahydro-4,7-epoxyisoindol-2-yl)ethyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","2-(3a,7a-Dimethyl-1,3,4,5,6,7-hexahydro-4,7-epoxyisoindol-2-yl)ethyl-trimethylazanium;iodide","","CC12CN(CC1(C3CCC2O3)C)CC[N+](C)(C)C.[I-]","MUOSUCASMJZYRT-UHFFFAOYSA-M","5351865",NA,"PDBC14177","67852","Present"
-"2-(4'-Chloro-2'-methylbenzoyl)-1-naphthalenecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-(4'-Chloro-2'-methylbenzoyl)-1-naphthalenecarboxylic acid","","CC1=C(C=CC(=C1)Cl)C(=O)C2=C(C3=CC=CC=C3C=C2)C(=O)O","QDRKMWOENMBRNY-UHFFFAOYSA-N","369146",NA,"PDBC14178","640732","Present"
-"2-(4,4-Dimethyl-2,6-dioxocyclohexyl)-2-((hydrazinocarbothioyl)hydrazono)-N-(6-(hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(Aminocarbamothioylhydrazinylidene)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide","","CC1(CC(=O)C(C(=O)C1)C(=NNC(=S)NN)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C","TYNYJAVJISHGBY-UCQKPKSFSA-N","9556173",NA,"PDBC14179","642052","Present"
-"2-(4,5-Dibenzoyl-1,3-dithiol-2-ylidene)-1-ethyl-6-(phenylimino)-3-thioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazin-7(6H)-one","","","","","","","","","","","","","","","","","","","","2-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-1-ethyl-6-(pheny...","","CCN1C2=C(SC(=NC3=CC=CC=C3)C2=O)SC(=S)C1=C4SC(=C(S4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6","VPVWISKQRXWFHO-UHFFFAOYSA-N","60147505",NA,"PDBC14180","751393","Present"
-"2-(4,5-Dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(4,5-Dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride","","CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3N=C=S)Cl)Cl.Cl","AVMOGIGMTJJPBN-HLRBRJAUSA-N","54611471",NA,"PDBC14181","707825","Present"
-"2-(4,5-Dichloro-6-oxo-pyridazin-1-yl)-2-oxo-acetamide","","","","","","","","","","","","","","","","","","","","2-(4,5-Dichloro-6-oxo-pyridazin-1-yl)-2-oxo-acetamide","","C1=NN(C(=O)C(=C1Cl)Cl)C(=O)C(=O)N","NLFSLTLFNXKRMQ-UHFFFAOYSA-N","366292",NA,"PDBC14182","634643","Present"
-"2-(4,5-Dihydro-1H-imidazol-2-yl)-1-phenylethanone","","","","","","","","","","","","","","","","","","","","2-(4,5-Dihydro-1H-imidazol-2-yl)-1-phenylethan-1-one","","C1CN=C(N1)CC(=O)C2=CC=CC=C2","YACFUBILLPHORR-UHFFFAOYSA-N","325968",NA,"PDBC14183","295585","Present"
-"2-(4,5-Dihydro-1H-imidazol-2-ylamino)-5,6-dimethoxyisoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(4,5-Dihydro-1H-imidazol-2-ylamino)-5,6-dimethoxy-1H-isoindole-1,3(2H)-dione","","COC1=C(C=C2C(=C1)C(=O)N(C2=O)NC3=NCCN3)OC","ZPNQQBJSSOJVFD-UHFFFAOYSA-N","379551",NA,"PDBC14184","664227","Present"
-"2-(4,5-Dihydro-1H-imidazol-2-ylamino)-5-nitrobenzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(4,5-Dihydro-1H-imidazol-2-ylamino)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione","","C1CN=C(N1)NN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]","WMRNTLXXDVRKAM-UHFFFAOYSA-N","371336",NA,"PDBC14185","645467","Present"
-"2-(4,5-Dihydro-1H-imidazol-2-ylamino)isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(4,5-Dihydro-1H-imidazol-2-ylamino)-1H-isoindole-1,3(2H)-dione","","C1CN=C(N1)NN2C(=O)C3=CC=CC=C3C2=O","RJLHYXDCFJBAKQ-UHFFFAOYSA-N","379550",NA,"PDBC14186","664226","Present"
-"2-(4,5-Dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide","","","","","","","","","","","","","","","","","","","","2-(4,5-Dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide","","C1CN=C(N1)SCC(=O)C2=CC=CC=C2.Br","UFGCDDZQIFGJKH-UHFFFAOYSA-N","5458345",NA,"PDBC14187","160319","Present"
-"2-(4,5-Dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane","","","","","","","","","","","","","","","","","","","","2-(4,5-Dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane","","CSC1(SC2(S1)NCCN2)SC3=NCCN3","XCQBEENDHMMMRU-UHFFFAOYSA-N","330385",NA,"PDBC14188","318538","Present"
-"2-(4,5-Dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl)-1-methyl-2-oxoethyl acetate","","","","","","","","","","","","","","","","","","","","2-(4,5-Dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl)-1-methyl-2-oxoethyl acetate","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)C(C)OC(=O)C)C=CC=C3O","QTPSLPQIEAJSQF-UHFFFAOYSA-N","369403",NA,"PDBC14189","641173","Present"
-"2-(4,5-Dimethoxy-2-nitrophenyl)acetic acid","","","","","","","","","","","","","","","","","","","","NSC636871","","COC1=C(C=C(C(=C1)CC(=O)O)[N+](=O)[O-])OC","WJPMJFUEMVXUCV-UHFFFAOYSA-N","270941",NA,"PDBC14190","636871","Present"
-"2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-4,6-dimethyl-[1,3]dithiolo[4,5-d]pyrimidine-5,7-dione","","","","","","","","","","","","","","","","","","","","1,3-dimethyl-2,4-dioxo(1H,3H)pyrimido dimethyltetrathiaf...","","CC1=C(SC(=C2SC3=C(S2)N(C(=O)N(C3=O)C)C)S1)C","ZHYZLWFRVZJFOG-UHFFFAOYSA-N","377230",NA,"PDBC14191","658469","Present"
-"2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-4-methyl[1,3]dithiolo[4,5-d]pyrimidine-5,7(4H,6H)-dione","","","","","","","","","","","","","","","","","","","","1-Methyl-2,4-dioxo(1H,3H)pyrimido dimethyltetrathiafulva...","","CC1=C(SC(=C2SC3=C(S2)N(C(=O)NC3=O)C)S1)C","JPEKCRXEFNVBIY-UHFFFAOYSA-N","377229",NA,"PDBC14192","658468","Present"
-"2-(4,5-Dimethyl-1H-imidazol-1-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(4,5-Dimethyl-1H-imidazol-1-yl)phenol","","CC1=C(N(C=N1)C2=CC=CC=C2O)C","NHXCFCGLJUIIBK-UHFFFAOYSA-N","237975",NA,"PDBC14193","42069","Present"
-"2-(4,5-Dinitro-1H-imidazol-2-yl)-4,5-dinitro-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(4,5-Dinitro-1H-imidazol-2-yl)-4,5-dinitro-1H-imidazole","","C1(=C(N=C(N1)C2=NC(=C(N2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","HDNHSJKZJSMCOE-UHFFFAOYSA-N","3755996",NA,"PDBC14194","688043","Present"
-"2-(4,5-Dinitro-1H-imidazol-2-yl)pyridine","","","","","","","","","","","","","","","","","","","","2-(4,5-Dinitro-1H-imidazol-2-yl)pyridine","","C1=CC=NC(=C1)C2=NC(=C(N2)[N+](=O)[O-])[N+](=O)[O-]","NEAWSHQWBBYUEK-UHFFFAOYSA-N","359346",NA,"PDBC14195","620145","Present"
-"2-(4,6-Dihydroxy-5-methyl-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one","","","","","","","","","","","","","","","","","","","","2-(4,6-Dihydroxy-5-methyl-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one","","CC1=C(N=C(NC1=O)N2C(=O)C3=C(N2)CCCC3)O","ZWUAOCOMXQUBOG-UHFFFAOYSA-N","387157",NA,"PDBC14196","680671","Present"
-"2-(4,6-Dimethyl-1,3-dioxo-5-phenylpyrrolo[3,4-c]pyrrol-2-yl)ethyl carbamimidothioate","","","","","","","","","","","","","","","","","","","","2-(4,6-Dimethyl-1,3-dioxo-5-phenylpyrrolo[3,4-c]pyrrol-2-yl)ethyl carbamimidothioate","","CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(C2=O)CCSC(=N)N","MNPPPERJUFSYBS-UHFFFAOYSA-N","401025",NA,"PDBC14197","713730","Present"
-"2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile","","","","","","","","","","","","","","","","","","","","2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile","","C1C(=O)NC(=C(C#N)C#N)NC1=O","OVIVBDZFPQQIIG-UHFFFAOYSA-N","361891",NA,"PDBC14198","625236","Present"
-"2-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-[4-[[4-[[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-oxoacetyl]amino]-3-methyl-5-propan-2-ylphenyl]methyl]-2-methyl-6-propan-2-ylphenyl]-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-[4-[[4-[[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-oxoacetyl]amino]-3-methyl-5-propan-2-ylphenyl]methyl]-2-methyl-6-propan-2-ylphenyl]-2-oxoac","","CC1=CC(=CC(=C1NC(=O)C(=O)C2C(=O)NC(=S)NC2=O)C(C)C)CC3=CC(=C(C(=C3)C)NC(=O)C(=O)C4C(=O)NC(=S)NC4=O)C(C)C","ZQSWSWQPYZXXFM-UHFFFAOYSA-N","3004332",NA,"PDBC14199","645893","Present"
-"2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-2-((hydrazinocarbothioyl)hydrazono)-N-(3-hydroxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(Aminocarbamothioylhydrazinylidene)-2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-(3-hydroxyphenyl)acetamide","","C1=CC(=CC(=C1)O)NC(=O)C(=NNC(=S)NN)C2C(=O)NC(=S)NC2=O","KMTCPUMSBRMKTM-UWVJOHFNSA-N","6025013",NA,"PDBC14200","648645","Present"
-"2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-2-((hydrazinocarbothioyl)hydrazono)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(Aminocarbamothioylhydrazinylidene)-2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=NNC(=S)NN)C3C(=O)NC(=S)NC3=O","XPUBDLBLKUBQRT-AFPJDJCSSA-N","5819782",NA,"PDBC14201","644737","Present"
-"2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide","","C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)C(=O)C2C(=O)NC(=S)NC2=O","YQCMAKSQHOECBL-UHFFFAOYSA-N","3004316",NA,"PDBC14202","644739","Present"
-"2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-N-(3-hydroxyphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-N-(3-hydroxyphenyl)-2-oxoacetamide","","C1=CC(=CC(=C1)O)NC(=O)C(=O)C2C(=O)NC(=S)NC2=O","GOKJJTRLZXUAQN-UHFFFAOYSA-N","3004286",NA,"PDBC14203","642068","Present"
-"2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxoacetamide","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C3C(=O)NC(=S)NC3=O","IFYDAMWOEKJLSE-UHFFFAOYSA-N","3004370",NA,"PDBC14204","648642","Present"
-"2-(4,6-Dioxo-5-phenyltetrahydro-2(1H)-pyrimidinylidene)malononitrile","","","","","","","","","","","","","","","","","","","","2-(4,6-Dioxo-5-phenyltetrahydro-2(1H)-pyrimidinylidene)malononitrile","","C1=CC=C(C=C1)C2C(=O)NC(=C(C#N)C#N)NC2=O","WQIZWILKLBDFOD-UHFFFAOYSA-N","361888",NA,"PDBC14205","625233","Present"
-"2-(4,6-Ditert-butyl-2,3-dihydroxyphenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-(4,6-Ditert-butyl-2,3-dihydroxy-phenyl)sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","","CC(C)(C)C1=CC(=C(C(=C1O)O)SC2C(C(C(C(O2)CO)O)O)O)C(C)(C)C","FONYWEYOJOAYCY-UHFFFAOYSA-N","398522",NA,"PDBC14206","708433","Present"
-"2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(2-ethoxyphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(2-ethoxyphenyl)-2-oxoacetamide","","CCOC1=CC=CC=C1NC(=O)C(=O)C2=C(C3=C(C=C(C=C3)O)OC2=O)O","CLONDOFVPCZMOZ-UHFFFAOYSA-N","54686205",NA,"PDBC14207","647106","Present"
-"2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(2-methylphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(2-methylphenyl)-2-oxoacetamide","","CC1=CC=CC=C1NC(=O)C(=O)C2=C(C3=C(C=C(C=C3)O)OC2=O)O","VWGOOIXPKLAHRN-UHFFFAOYSA-N","54686204",NA,"PDBC14208","647105","Present"
-"2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(4-methoxy-2-nitrophenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(4-methoxy-2-nitrophenyl)-2-oxoacetamide","","COC1=CC(=C(C=C1)NC(=O)C(=O)C2=C(C3=C(C=C(C=C3)O)OC2=O)O)[N+](=O)[O-]","UCKDPASPZJIABB-UHFFFAOYSA-N","54677089",NA,"PDBC14209","647085","Present"
-"2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacetamide","","","","","","","","","","","","","","","","","","","","2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacetamide","","CN(C(=O)CC1=CC=C(C=C1)OCC2=CC(=CC=C2)Cl)O","JCXGUOPPEAUVFZ-UHFFFAOYSA-N","392401",NA,"PDBC14210","692765","Present"
-"2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacetamide","","","","","","","","","","","","","","","","","","","","2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacetamide","","C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)CC(=O)NO","NSKLOLDZYJQXAM-UHFFFAOYSA-N","392399",NA,"PDBC14211","692763","Present"
-"2-(4-((4-(Diethylamino)-2-methylphenyl)imino)-1(4H)-naphthalenylidene)malononitrile","","","","","","","","","","","","","","","","","","","","2-(4-((4-(Diethylamino)-2-methylphenyl)imino)-1(4H)-naphthalenylidene)malononitrile","","CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=C(C#N)C#N)C3=CC=CC=C23)C","UZYPUCUBYZRBEV-UHFFFAOYSA-N","363172",NA,"PDBC14212","627776","Present"
-"2-(4-((4-Amino-2-methylphenyl)diazenyl)phenylsulfonyl)ethanesulfonoperoxoic acid","","","","","","","","","","","","","","","","","","","","2-(4-((4-amino-2-methylphenyl)diazenyl)phenylsulfonyl)et...","","CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O","OHESCKQZCFTCNA-UHFFFAOYSA-N","42614805",NA,"PDBC14213","676914","Present"
-"2-(4-((4-Methoxybenzoyl)amino)-2-oxo-1(2H)-pyrimidinyl)ethyl 4-methoxybenzoate","","","","","","","","","","","","","","","","","","","","2-(4-((4-Methoxybenzoyl)amino)-2-oxo-1(2H)-pyrimidinyl)ethyl 4-methoxybenzoate","","COC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CCOC(=O)C3=CC=C(C=C3)OC","HCTYRQRRBLEZGL-UHFFFAOYSA-N","367653",NA,"PDBC14214","637530","Present"
-"2-(4-((Oxiran-2-yl)methoxy)styryl)-4,5-dihydrooxazole","","","","","","","","","","","","","","","","","","","","2-(4-((oxiran-2-yl)methoxy)styryl)-4,5-dihydrooxazole","","C1C(O1)COC2=CC=C(C=C2)C=CC3=NCOC3","LDHDMCZFOAJJED-DAFODLJHSA-N","24206038",NA,"PDBC14215","737757","Present"
-"2-(4-((Tert-Butyl(dimethyl)silyl)oxy)butyl)-4-(1,3,4,5-cyclohexatetraen-1-ylsulfonyl)-5-(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane","","","","","","","","","","","","","","","","","","","","4-[5-(Benzenesulfonyl)-4-cyclohexa-1,3,4,5-tetraen-1-ylsulfonyl-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]butoxy-tert-butyl-dimethylsilane","","CC(C)(C)[Si](C)(C)OCCCCC1CC2(C(CN1O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=C=C=C4","XZHHZKLYFMZKBE-UHFFFAOYSA-N","373325",NA,"PDBC14216","649469","Present"
-"2-(4-(1,3-Benzodithiol-2-ylidene)-2,5-cyclohexadien-1-ylidene)-1,3-benzodithiole 1-oxide","","","","","","","","","","","","","","","","","","","","2-(4-(1,3-Benzodithiol-2-ylidene)-2,5-cyclohexadien-1-ylidene)-1,3-benzodithiole 1-oxide","","C1=CC=C2C(=C1)SC(=C3C=CC(=C4SC5=CC=CC=C5S4=O)C=C3)S2","ADPFMKNCLZCAMG-UHFFFAOYSA-N","363740",NA,"PDBC14217","628931","Present"
-"2-(4-(2,2-Dicarboxyethyl)-2,5-dimethoxybenzyl)malonic acid","","","","","","","","","","","","","","","","","","","","2-(4-(2,2-Dicarboxyethyl)-2,5-dimethoxybenzyl)malonic acid","","COC1=CC(=C(C=C1CC(C(=O)O)C(=O)O)OC)CC(C(=O)O)C(=O)O","GJQVTLPKRZNQOY-UHFFFAOYSA-N","361842",NA,"PDBC14218","625158","Present"
-"2-(4-(2-(1-Adamantyl)hexahydro-3H-pyrrolo[1,2-c]imidazol-3-ylidene)-2,5-cyclohexadien-1-ylidene)malononitrile","","","","","","","","","","","","","","","","","","","","2-[4-[2-(1-Adamantyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-ylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile","","C1CC2CN(C(=C3C=CC(=C(C#N)C#N)C=C3)N2C1)C45CC6CC(C4)CC(C6)C5","PGZLWTUVUSVNGX-UHFFFAOYSA-N","363312",NA,"PDBC14219","628131","Present"
-"2-(4-(2-Bromo-2-phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran","","","","","","","","","","","","","","","","","","","","2-(4-(2-Bromo-2-phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran","","C1CCOC(C1)OC2=CC=C(C=C2)C(=C(C3=CC=CC=C3)Br)C4=CC=C(C=C4)OC5CCCCO5","OUUBBDAEXJFBLZ-UHFFFAOYSA-N","384598",NA,"PDBC14220","674610","Present"
-"2-(4-(2-Phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran","","","","","","","","","","","","","","","","","","","","2-(4-(2-Phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran","","C1CCOC(C1)OC2=CC=C(C=C2)C(=CC3=CC=CC=C3)C4=CC=C(C=C4)OC5CCCCO5","CXDXOOCWFYIPBJ-UHFFFAOYSA-N","384599",NA,"PDBC14221","674611","Present"
-"2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide","","","","","","","","","","","","","","","","","","","","2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide","","CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC=C(C=C2)C=CC(=O)C3=CC=C(C=C3)Cl","KAGCQRGLNSLRDP-OVCLIPMQSA-N","5466906",NA,"PDBC14222","645394","Present"
-"2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)acetamide","","C1=CC(=C(C(=C1)Cl)NC(=O)COC2=CC=C(C=C2)C=CC(=O)C3=CC=C(C=C3)Cl)Cl","ZVIFVIRKAXWYIL-AWNIVKPZSA-N","5466907",NA,"PDBC14223","645397","Present"
-"2-(4-(3-Pyridinyl)-1,3-dioxolan-4-yl)-1H-indole","","","","","","","","","","","","","","","","","","","","2-(4-Pyridin-3-yl-1,3-dioxolan-4-yl)-1H-indole","","C1C(OCO1)(C2=CN=CC=C2)C3=CC4=CC=CC=C4N3","XPSQSVZZCLFANE-UHFFFAOYSA-N","392295",NA,"PDBC14224","692428","Present"
-"2-(4-(4-(1-(4-(4-((1-Cyanoethyl)amino)phenoxy)phenyl)-1-methylethyl)phenoxy)anilino)propanenitrile","","","","","","","","","","","","","","","","","","","","2-(4-(4-(1-(4-(4-((1-Cyanoethyl)amino)phenoxy)phenyl)-1-methylethyl)phenoxy)anilino)propanenitrile","","CC(C#N)NC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OC4=CC=C(C=C4)NC(C)C#N","JPFWAXUOBJIHLX-UHFFFAOYSA-N","387698",NA,"PDBC14225","681727","Present"
-"2-(4-(4-Aminophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(4-(4-Aminophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol","","C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)N)C4=CC=CC=C4O","ARBIJFULXIRXDL-UHFFFAOYSA-N","364777",NA,"PDBC14226","631536","Present"
-"2-(4-(5-Methyl-1,4-oxadiazol-2-yl)phenyl)benzo[d]oxazole","","","","","","","","","","","","","","","","","","","","2 - (4-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl)benzo[d]oxa...","","CC1=NN=C(O1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3","FPOPQLWJEWMFEO-UHFFFAOYSA-N","24203998",NA,"PDBC14227","730319","Present"
-"2-(4-(Acetylamino)anilino)-N-(6-((4-(acetylamino)anilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4-Acetamidoanilino)-N-[6-[(4-acetamidophenyl)sulfamoyl]-4-oxo-quinazolin-3-yl]acetamide","","CC(=O)NC1=CC=C(C=C1)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)NC(=O)C","DLEVJWPCUKRUFF-UHFFFAOYSA-N","390412",NA,"PDBC14228","687766","Present"
-"2-(4-(Acetylamino)phenyl)benzo[g]quinoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(4-(Acetylamino)phenyl)benzo[g]quinoline-4-carboxylic acid","","CC(=O)NC1=CC=C(C=C1)C2=NC3=CC4=CC=CC=C4C=C3C(=C2)C(=O)O","OJVOTJROKBYRMX-UHFFFAOYSA-N","282670",NA,"PDBC14229","136472","Present"
-"2-(4-(Benzyloxy)-3-bromophenyl)-1,3-dioxane","","","","","","","","","","","","","","","","","","","","2-(4-(Benzyloxy)-3-bromophenyl)-1,3-dioxane","","C1COC(OC1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)Br","GTCGZLRKELOVDH-UHFFFAOYSA-N","370742",NA,"PDBC14230","644265","Present"
-"2-(4-(Benzyloxy)benzyl)-1,3-dithiane","","","","","","","","","","","","","","","","","","","","2-(4-(Benzyloxy)benzyl)-1,3-dithiane","","C1CSC(SC1)CC2=CC=C(C=C2)OCC3=CC=CC=C3","PQENHLGBQQLYJZ-UHFFFAOYSA-N","382193",NA,"PDBC14231","669652","Present"
-"2-(4-(Cyclohexylidene(4-(2-(diethylamino)ethoxy)phenyl)methyl)phenoxy)-N,N-diethylethanamine","","","","","","","","","","","","","","","","","","","","2-(4-(Cyclohexylidene(4-(2-(diethylamino)ethoxy)phenyl)methyl)phenoxy)-N,N-diethylethanamine","","CCN(CC)CCOC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OCCN(CC)CC","IHFCCFRNLYQXMV-UHFFFAOYSA-N","369395",NA,"PDBC14232","641160","Present"
-"2-(4-(Cyclohexylmethoxy)phenoxy)-N,N-bis(2-hydroxyethyl)propanamide","","","","","","","","","","","","","","","","","","","","2-(4-(Cyclohexylmethoxy)phenoxy)-N,N-bis(2-hydroxyethyl)propanamide","","CC(C(=O)N(CCO)CCO)OC1=CC=C(C=C1)OCC2CCCCC2","LXPPIMNNFIXCCV-UHFFFAOYSA-N","375842",NA,"PDBC14233","656095","Present"
-"2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-furylmethyl)propanamide","","","","","","","","","","","","","","","","","","","","2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-furylmethyl)propanamide","","CC(C(=O)NCC1=CC=CO1)OC2=CC=C(C=C2)OCC3CCCCC3","MJENVWGJGBTLEC-UHFFFAOYSA-N","375845",NA,"PDBC14234","656098","Present"
-"2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-hydroxyethyl)propanamide","","","","","","","","","","","","","","","","","","","","2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-hydroxyethyl)propanamide","","CC(C(=O)NCCO)OC1=CC=C(C=C1)OCC2CCCCC2","VIVQJKYJHQTTAY-UHFFFAOYSA-N","375841",NA,"PDBC14235","656094","Present"
-"2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-hydroxypropyl)propanamide","","","","","","","","","","","","","","","","","","","","2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-hydroxypropyl)propanamide","","CC(CNC(=O)C(C)OC1=CC=C(C=C1)OCC2CCCCC2)O","PQTYNEFPFITOLP-UHFFFAOYSA-N","375843",NA,"PDBC14236","656096","Present"
-"2-(4-(Cyclohexylmethoxy)phenoxy)-N-(4-methoxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","2-(4-(Cyclohexylmethoxy)phenoxy)-N-(4-methoxyphenyl)propanamide","","CC(C(=O)NC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)OCC3CCCCC3","ZRMJHUIASGVNSY-UHFFFAOYSA-N","375844",NA,"PDBC14237","656097","Present"
-"2-(4-(Cyclohexylmethoxy)phenoxy)-N-methylpropanamide","","","","","","","","","","","","","","","","","","","","2-[4-(Cyclohexylmethoxy)phenoxy]-N-methyl-propanamide","","CC(C(=O)NC)OC1=CC=C(C=C1)OCC2CCCCC2","FLAFEHWTZUIJKD-UHFFFAOYSA-N","375840",NA,"PDBC14238","656093","Present"
-"2-(4-(Cyclohexylmethoxy)phenoxy)propanamide","","","","","","","","","","","","","","","","","","","","2-(4-(Cyclohexylmethoxy)phenoxy)propanamide","","CC(C(=O)N)OC1=CC=C(C=C1)OCC2CCCCC2","CQCCYUJJSKKSES-UHFFFAOYSA-N","375839",NA,"PDBC14239","656092","Present"
-"2-(4-(Cyclohexylmethoxy)phenoxy)propanoic acid","","","","","","","","","","","","","","","","","","","","2-(4-(Cyclohexylmethoxy)phenoxy)propanoic acid","","CC(C(=O)O)OC1=CC=C(C=C1)OCC2CCCCC2","MVEXRUBPJNVSKJ-UHFFFAOYSA-N","375838",NA,"PDBC14240","656091","Present"
-"2-(4-(Diethylamino)-2-hydroxybenzoyl)benzoic acid","","","","","","","","","","","","","","","","","","","","X4K32L28QB","","CCN(CC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O","FQNKTJPBXAZUGC-UHFFFAOYSA-N","79878",NA,"PDBC14241","625797","Present"
-"2-(4-(Ethoxycarbonyl)-4-methyl-3-oxocyclohexyl)malonic acid","","","","","","","","","","","","","","","","","","","","2-(4-(Ethoxycarbonyl)-4-methyl-3-oxocyclohexyl)malonic acid","","CCOC(=O)C1(CCC(CC1=O)C(C(=O)O)C(=O)O)C","JTTWLPOOGLEEKF-UHFFFAOYSA-N","363780",NA,"PDBC14242","628993","Present"
-"2-(4-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC=C(C=C4)[N+](=O)[O-]","JHVVRIIJOGGHPS-UHFFFAOYSA-N","376435",NA,"PDBC14243","657349","Present"
-"2-(4-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(4-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1...","","C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]","HCOVSUWQMKZWAW-UHFFFAOYSA-N","321195",NA,"PDBC14244","270738","Present"
-"2-(4-(Hydroxy(oxido)amino)phenyl)-7,8-dimethyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-9-one","","","","","","","","","","","","","","","","","","","","4,5-Dimethyl-12-(4-nitrophenyl)-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one","","CC1=C(SC2=C1C(=O)N3C(=N2)SCC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])C","DHBGRDAGJUHNJJ-UHFFFAOYSA-N","495990",NA,"PDBC14245","675765","Present"
-"2-(4-Acetamido-3,5-dimethylphenoxy)acetic acid","","","","","","","","","","","","","","","","","","","","[4-(Acetylamino)-3,5-dimethylphenoxy]acetic acid","","CC1=CC(=CC(=C1NC(=O)C)C)OCC(=O)O","MQFVHAVMJZSALX-UHFFFAOYSA-N","236027",NA,"PDBC14246","38042","Present"
-"2-(4-Acetylamino-phenylsulfanyl)-5-nitro-furan","","","","","","","","","","","","","","","","","","","","2-(4-Acetylamino-phenylsulfanyl)-5-nitro-furan","","CC(=O)NC1=CC=C(C=C1)SC2=CC=C(O2)[N+](=O)[O-]","NPAJZEQRHDGSIE-UHFFFAOYSA-N","234636",NA,"PDBC14247","34864","Present"
-"2-(4-Amino-3-(phenylacetylenyl)phenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","2-(4-amino-3-(phenylacetylenyl)phenyl)benzothiazole","","C1=CC=C(C=C1)C#CC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)N","AGZYNVXYSMQGFD-UHFFFAOYSA-N","404146",NA,"PDBC14248","720285","Present"
-"2-(4-Amino-3-(trimethylsilylaceylenyl)phenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","2-(4-Amino-3-(trimethylsilylaceylenyl)phenyl)benzothiazole","","C[Si](C)(C)C#CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N","HEWYAYJAQIXRPZ-UHFFFAOYSA-N","404147",NA,"PDBC14249","720286","Present"
-"2-(4-Amino-3-methylphenyl)-4-hydroxybenzothiazole","","","","","","","","","","","","","","","","","","","","2-(4-amino-3-methylphenyl)-4-hydroxybenzothiazole","","CC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3S2)O)N","ZTJIOWXBOFUDQH-UHFFFAOYSA-N","397015",NA,"PDBC14250","704277","Present"
-"2-(4-Amino-3-methylphenyl)-6-hydroxybenzothiazole","","","","","","","","","","","","","","","","","","","","6-Benzothiazolol, 2-(4-amino-3-methylphenyl)-","","CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)O)N","ZVMPPOTVHZXILL-UHFFFAOYSA-N","396812",NA,"PDBC14251","703785","Present"
-"2-(4-Amino-3-methylphenyl)-7-hydroxybenzothiazole","","","","","","","","","","","","","","","","","","","","2-(4-amino-3-methylphenyl)-7-hydroxybenzothiazole","","CC1=C(C=CC(=C1)C2=NC3=C(S2)C(=CC=C3)O)N","OFRNVFFXBRJWDZ-UHFFFAOYSA-N","397016",NA,"PDBC14252","704278","Present"
-"2-(4-Amino-5-(8-(4-amino-5-(2-hydroxy-4-methylphenyl)-4H-1,2,4-triazol-3-yl)octyl)-4H-1,2,4-triazol-3-yl)-5-methylphenol","","","","","","","","","","","","","","","","","","","","2-[4-Amino-5-[8-[4-amino-5-(2-hydroxy-4-methylphenyl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]-5-methylphenol","","CC1=CC(=C(C=C1)C2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)C4=C(C=C(C=C4)C)O)O","ILKWWSXKTOMSJF-UHFFFAOYSA-N","382824",NA,"PDBC14253","670560","Present"
-"2-(4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl)-N-hydroxyethanimidamide","","","","","","","","","","","","","","","","","","","","2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-N'-hydroxyethanimidamide","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CC(=NO)N","CFKIFNLYAZGLLJ-UHFFFAOYSA-N","9572131",NA,"PDBC14254","704348","Present"
-"2-(4-Amino-6-chloroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","6-Chloro-1-pentofuranosyl-1h-imidazo[4,5-c]pyridin-4-amine","","C1=C2C(=C(N=C1Cl)N)N=CN2C3C(C(C(O3)CO)O)O","LIDWXUGNGGWNEU-UHFFFAOYSA-N","292762",NA,"PDBC14255","158900","Present"
-"2-(4-Amino-6-hydroxy-2-mercapto-5-pyrimidinyl)-4-methylphenylformamide","","","","","","","","","","","","","","","","","","","","2-(4-Amino-6-hydroxy-2-mercapto-5-pyrimidinyl)-4-methylphenylformamide","","CC1=CC(=C(C=C1)NC=O)C2=C(NC(=S)NC2=O)N","SUXVPTOYHLCUQF-UHFFFAOYSA-N","3005187",NA,"PDBC14256","680807","Present"
-"2-(4-Amino-6-phenylpiperazin-1-yl-1,5-triazin-2-yl)-2-{[4-(dimethylamino)phenyl]imino}-acetonitrile","","","","","","","","","","","","","","","","","","","","2-(4-amino-6-phenylpiperazin-1-yl-1,3,5-triazin-2-yl)-2-...","","CN(C)C1=CC=C(C=C1)N=C(C#N)C2=NC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)N","IVJUYPMFEPJWJQ-UHFFFAOYSA-N","11676277",NA,"PDBC14257","729113","Present"
-"2-(4-Aminobenzamido)-5-(6-methylbenzo[d]thiazol-2-yl)benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","Benzenesulfonic acid, 2-[(4-aminobenzoyl)amino]-5-(6-methyl-2-benzothiazolyl)-","","CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O","OINIYAOVPXPWNV-UHFFFAOYSA-N","231116",NA,"PDBC14258","26699","Present"
-"2-(4-Aminobutyl)-1,4-dihydroxyanthracene-9,10-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(4-Aminobutyl)-1,4-dihydroxyanthracene-9,10-dione;hydrochloride","","C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCN)O.Cl","ZVKHUYXHSZSTMN-UHFFFAOYSA-N","439019",NA,"PDBC14259","699139","Present"
-"2-(4-Aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(4-Aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol","","CC(C)CSCC1C(C(C(O1)N2C=NC3=C2C=CN=C3N)O)O","XDBKDRRIZBSEDB-UHFFFAOYSA-N","329583",NA,"PDBC14260","313172","Present"
-"2-(4-Aminophenyl)-6-methoxybenzothiazole","","","","","","","","","","","","","","","","","","","","6-MEO-BTA-0","","COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N","KLRFVKNLVPQVIN-UHFFFAOYSA-N","391870",NA,"PDBC14261","691533","Present"
-"2-(4-Aminopiperidin-1-yl)-4-(3-(trifluoromethyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one hydrochloride","","","","","","","","","","","","","","","","","","","","2-(4-aminopiperidin-1-yl)-4-(3-(trifluoromethyl)phenylam...","","C1CN(CCC1N)C2=NC3=C(C(=O)NC=C3)C(=N2)NC4=CC=CC(=C4)C(F)(F)F.Cl","GEOYUPAKWBFMCY-UHFFFAOYSA-N","52933852",NA,"PDBC14262","751831","Present"
-"2-(4-Benzoylphenyl)-N-(3-(4-methyl-1-piperazinyl)-3-oxopropyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4-Benzoylphenyl)-N-(3-(4-methyl-1-piperazinyl)-3-oxopropyl)acetamide","","CN1CCN(CC1)C(=O)CCNC(=O)CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3","JJMWAIJCWSCPGM-UHFFFAOYSA-N","385937",NA,"PDBC14263","677400","Present"
-"2-(4-Bromo-3-(trifluoromethyl)anilino)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-(4-Bromo-3-(trifluoromethyl)anilino)-9H-purin-6-ol","","C1=CC(=C(C=C1NC2=NC3=C(C(=O)N2)NC=N3)C(F)(F)F)Br","ROEZOUAAJLSGAV-UHFFFAOYSA-N","135440030",NA,"PDBC14264","685825","Present"
-"2-(4-Bromo-benzenesulfonylimino)-imidazolidine-1-car bodithioic acid 3-thioxo-5,1-c][1,2, 4]thiadiazol-7-yl ester","","","","","","","","","","","","","","","","","","","","2-(4-Bromo-benzenesulfonylimino)-imidazolidine-1-car bod...","","C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)Br)C(=S)SN3CCN4C3=NSC4=S","OPHLBAWCOGSTNY-UHFFFAOYSA-N","24205509",NA,"PDBC14265","736064","Present"
-"2-(4-Bromo-phenyl)-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Br)NC4C(C(C(C(O4)CO)O)O)O","WJAWRIRCIFKHEV-UHFFFAOYSA-N","363486",NA,"PDBC14266","628410","Present"
-"2-(4-Bromobenzoyl)-4-(2-(4-bromophenyl)-2-oxoethyl)-3-hydroxy-2-cyclopenten-1-one","","","","","","","","","","","","","","","","","","","","2-(4-Bromobenzoyl)-4-(2-(4-bromophenyl)-2-oxoethyl)-3-hydroxy-2-cyclopenten-1-one","","C1C(C(=O)C(=C(C2=CC=C(C=C2)Br)O)C1=O)CC(=O)C3=CC=C(C=C3)Br","SINVXUZGFRFOEI-VHEBQXMUSA-N","5465989",NA,"PDBC14267","670866","Present"
-"2-(4-Bromobenzoyl)-N-(4-bromophenyl)-5-methyl-3-isoxazolidinamine","","","","","","","","","","","","","","","","","","","","2-(4-Bromobenzoyl)-N-(4-bromophenyl)-5-methyl-3-isoxazolidinamine","","CC1CC(N(O1)C(=O)C2=CC=C(C=C2)Br)NC3=CC=C(C=C3)Br","MXMGZFYTHNNJMN-UHFFFAOYSA-N","377010",NA,"PDBC14268","658228","Present"
-"2-(4-Bromobenzylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","YUBREKBGODHJOS-PKNBQFBNSA-N","","C1CCC(=O)C(=CC2=CC=C(C=C2)Br)C1","YUBREKBGODHJOS-PKNBQFBNSA-N","5374974",NA,"PDBC14269","670683","Present"
-"2-(4-Bromophenyl)-1,2,5,6,7,8-hexahydroquinoline-3,3,4,4-tetracarbonitrile","","","","","","","","","","","","","","","","","","","","Quinoline-3,3,4,4-tetracarbonitrile, 2-(4-bromophenyl)-1...","","C1CCC2=C(C1)C(C(C(N2)C3=CC=C(C=C3)Br)(C#N)C#N)(C#N)C#N","WXYMOTVLPYPFNL-UHFFFAOYSA-N","395673",NA,"PDBC14270","700455","Present"
-"2-(4-Bromophenyl)-1,3-dichloro-5,6-dimethoxy-1H-indene","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-1,3-dichloro-5,6-dimethoxy-1H-indene","","COC1=C(C=C2C(=C1)C(C(=C2Cl)C3=CC=C(C=C3)Br)Cl)OC","ZQEDTHGOYDNZKQ-UHFFFAOYSA-N","360785",NA,"PDBC14271","623166","Present"
-"2-(4-Bromophenyl)-1-(3,4-dimethoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-1-(3,4-dimethoxyphenyl)ethanone","","COC1=C(C=C(C=C1)C(=O)CC2=CC=C(C=C2)Br)OC","MXGKGYJSNIOYPZ-UHFFFAOYSA-N","358217",NA,"PDBC14272","618118","Present"
-"2-(4-Bromophenyl)-2-vinyl-1,3-dioxane","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-2-vinyl-1,3-dioxane","","C=CC1(OCCCO1)C2=CC=C(C=C2)Br","VDAPBWOWKPTAGF-UHFFFAOYSA-N","383346",NA,"PDBC14273","671460","Present"
-"2-(4-Bromophenyl)-3-(phenyldiazenyl)-1H-indole","","","","","","","","","","","","","","","","","","","","(E)-[2-(4-bromophenyl)-1H-indol-3-yl]-phenyl-diazene","","C1=CC=C(C=C1)N=NC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br","MJVPNGWTNWHGLL-UHFFFAOYSA-N","389558",NA,"PDBC14274","685863","Present"
-"2-(4-Bromophenyl)-3H-indol-3-one 1-oxide","","","","","","","","","","","","","","","","","","","","2-(4-bromophenyl)-1-oxido-indol-1-ium-3-one","","C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Br","BHXMNNKOGJBVFU-UHFFFAOYSA-N","362366",NA,"PDBC14275","626112","Present"
-"2-(4-Bromophenyl)-3H-pyrrolo[2,3-c]isoquinolin-5-ol","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-3H-pyrrolo[2,3-c]isoquinolin-5-ol","","C1=CC=C2C(=C1)C3=C(NC(=C3)C4=CC=C(C=C4)Br)NC2=O","CONSGDZGSJEQOT-UHFFFAOYSA-N","386858",NA,"PDBC14276","679600","Present"
-"2-(4-Bromophenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane","","C1C(N2CC(C1(O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br","MKFFHYSGFQRGCG-UHFFFAOYSA-N","361146",NA,"PDBC14277","623978","Present"
-"2-(4-Bromophenyl)-4-(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-4-(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)Br","BYPDBBMFPDCYQN-UHFFFAOYSA-N","369430",NA,"PDBC14278","641200","Present"
-"2-(4-Bromophenyl)-4-(1-naphthyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-4-(1-naphthyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione","","C1C(NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N=C1C5=CC=C(C=C5)Br)C6=CC=CC7=CC=CC=C76","ZHDOJHOAODTAQY-UHFFFAOYSA-N","367239",NA,"PDBC14279","636782","Present"
-"2-(4-Bromophenyl)-4-(2,5-dihydroxyphenacyl)pyrazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-4-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]pyrazolidine-3,5-dione","","C1=CC(=CC=C1N2C(=O)C(C(=O)N2)CC(=O)C3=C(C=CC(=C3)O)O)Br","OMIOSNHPSQSORP-UHFFFAOYSA-N","24204132",NA,"PDBC14280","730709","Present"
-"2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one","","CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)Br","BWZVJLYXJGXATI-UHFFFAOYSA-N","393160",NA,"PDBC14281","694614","Present"
-"2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)Br","OGKUJFVMWFFLCD-UHFFFAOYSA-N","393171",NA,"PDBC14282","694625","Present"
-"2-(4-Bromophenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one","","C1=CC(=CC=C1N2C(=O)C3=C(S2(=O)=O)N=CC(=C3)[N+](=O)[O-])Br","IZANEIVAZQJQRA-UHFFFAOYSA-N","393173",NA,"PDBC14283","694627","Present"
-"2-(4-Bromophenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-(4-bromophenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3(2H...","","C1=CC(=CC=C1N2C(=O)C3=C(S2)N=CC(=C3)[N+](=O)[O-])Br","APCZVVNESMLVLD-UHFFFAOYSA-N","393162",NA,"PDBC14284","694616","Present"
-"2-(4-Bromophenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one","","C1=CC=C(C=C1)C2=CC3=C(N=C2)SN(C3=O)C4=CC=C(C=C4)Br","MBRXMTXABOLTKO-UHFFFAOYSA-N","395667",NA,"PDBC14285","700449","Present"
-"2-(4-Bromophenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","C1=CC=C(C=C1)C2=CC3=C(N=C2)S(=O)(=O)N(C3=O)C4=CC=C(C=C4)Br","ARNJIBDFOXQEFF-UHFFFAOYSA-N","393172",NA,"PDBC14286","694626","Present"
-"2-(4-Bromophenyl)-5-tert-butyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","4-(4-Bromophenyl)-9-tert-butyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)Br","RPBYSOIFBNQFLB-UHFFFAOYSA-N","373637",NA,"PDBC14287","650357","Present"
-"2-(4-Bromophenyl)-6,7-dimethyl-8-phenyl-1,3,6,2-dioxazaborocan-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-6,7-dimethyl-8-phenyl-1,3,6,2-dioxazaborocan-4-one","","","","",NA,"PDBC14288","639230","Present"
-"2-(4-Bromophenyl)-6-(3-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-3-(3-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide","","C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.[Br-]","HZOCQABZUDKFDA-UHFFFAOYSA-M","376153",NA,"PDBC14289","656670","Present"
-"2-(4-Bromophenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","1-(4-Bromophenyl)-3-(4-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide","","C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Br-]","NYRIOIXABPNJAR-UHFFFAOYSA-M","376157",NA,"PDBC14290","656672","Present"
-"2-(4-Bromophenyl)-6-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-bromophenyl)-6-chloro-~{N}-[4-(4-chlorophenyl)thiaz...","","C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Br)Cl","WTZWLKIBMZDAHQ-UHFFFAOYSA-N","155813548",NA,"PDBC14291","797694","Present"
-"2-(4-Bromophenyl)-7,8-dihydroxychromene-4-thione","","","","","","","","","","","","","","","","","","","","2-(4-bromophenyl)-7,8-dihydroxy-4H-chromene-4-thione","","C1=CC(=CC=C1C2=CC(=S)C3=C(O2)C(=C(C=C3)O)O)Br","FWOXOZMWVNBQGF-UHFFFAOYSA-N","137303064",NA,"PDBC14292","783091","Present"
-"2-(4-Bromophenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione","","C1=CC=C2C(=C1)NC3C(S2)C(=O)N(C3=O)C4=CC=C(C=C4)Br","MPNQWYALZXAZIW-UHFFFAOYSA-N","367018",NA,"PDBC14293","636345","Present"
-"2-(4-Bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-8-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-8-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=C(C=C3)Br.Cl","IDNLGYMDPPWBPS-UHFFFAOYSA-N","358078",NA,"PDBC14294","617932","Present"
-"2-(4-Bromophenyl)imidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","DA-28257","","C1=CC(=CC=C1C2=CN3C=CN=CC3=N2)Br","SRVMTZOOFHVUJN-UHFFFAOYSA-N","398282",NA,"PDBC14295","707996","Present"
-"2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one","","C1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)Br","CKQMTCNNSSCNHW-UHFFFAOYSA-N","393161",NA,"PDBC14296","694615","Present"
-"2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","C1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)Br","XECDXJIOEYOFGS-UHFFFAOYSA-N","391364",NA,"PDBC14297","690394","Present"
-"2-(4-Butoxyphenyl)sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine","","","","","","","","","","","","","","","","","","","","2-(4-Butoxyphenyl)sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine","","CCCCOC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NO","FCBLGRHCNGVURJ-UHFFFAOYSA-N","9572202",NA,"PDBC14298","707045","Present"
-"2-(4-Butoxyphenyl)sulfonyl-1-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","2-(4-Butoxyphenyl)sulfonyl-1-(4-chlorophenyl)guanidine","","CCCCOC1=CC=C(C=C1)S(=O)(=O)N=C(N)NC2=CC=C(C=C2)Cl","NBGIRHIPGDMFPM-UHFFFAOYSA-N","9572214",NA,"PDBC14299","707405","Present"
-"2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one","","CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)C","AJXDIOWWYDSUKX-UHFFFAOYSA-N","394799",NA,"PDBC14300","698601","Present"
-"2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC(=C3)C","JKYCDXIAXAPWNK-UHFFFAOYSA-N","394803",NA,"PDBC14301","698605","Present"
-"2-(4-Butylphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-(4-Butylphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one","","CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC(=C3)[N+](=O)[O-]","AIIHCWUZVGZGLE-UHFFFAOYSA-N","393177",NA,"PDBC14302","694631","Present"
-"2-(4-Butylphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-(4-Butylphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one","","CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)[N+](=O)[O-]","PJRJESLYPUPUDM-UHFFFAOYSA-N","393170",NA,"PDBC14303","694624","Present"
-"2-(4-Butylphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Butylphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one","","CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)C4=CC=CC=C4","CPXKVJSIEUVWNW-UHFFFAOYSA-N","395862",NA,"PDBC14304","700864","Present"
-"2-(4-Butylphenyl)guanidine;nitric acid","","","","","","","","","","","","","","","","","","","","NSC685795","","CCCCC1=CC=C(C=C1)N=C(N)N.[N+](=O)(O)[O-]","QPDINXYFONDYPT-UHFFFAOYSA-N","24202551",NA,"PDBC14305","685795","Present"
-"2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one","","CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3","XNGPPEMGIZDPGJ-UHFFFAOYSA-N","393169",NA,"PDBC14306","694623","Present"
-"2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC=C3","SIEMFUFAXWYSGT-UHFFFAOYSA-N","395672",NA,"PDBC14307","700454","Present"
-"2-(4-Carboxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(4-Carboxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)C(=O)O","IADLBUBDKANABH-UHFFFAOYSA-N","364111",NA,"PDBC14308","629780","Present"
-"2-(4-Chloro-1(2H)-phthalazinylidene)malononitrile","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-1(2H)-phthalazinylidene)malononitrile","","C1=CC=C2C(=C1)C(=C(C#N)C#N)NN=C2Cl","ZDUKKPMFWHQLLA-UHFFFAOYSA-N","361639",NA,"PDBC14309","624858","Present"
-"2-(4-Chloro-2-carbamoylmethylthio-5-methylbenzenesulfony...","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-carbamoylmethylthio-5-methylbenzenesulfony...","","CC1=CC(=C(C=C1Cl)SCC(=O)N)S(=O)(=O)NC(=NCC#C)NN=CC2=CC=C(O2)[N+](=O)[O-]","KSAOIUFPGWFVRR-LSFURLLWSA-N","23583910",NA,"PDBC14310","728518","Present"
-"2-(4-Chloro-2-methyl-anilino)benzo[f][1,3]benzothiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphth[2,3-d]thiazole-4,9-dione, 2-[(2-chloro-4- methyl)...","","CC1=C(C=CC(=C1)Cl)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","NULIEULDUCQMRO-UHFFFAOYSA-N","361027",NA,"PDBC14311","623761","Present"
-"2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC","SMUADROZVBFSJY-UHFFFAOYSA-N","44456614",NA,"PDBC14312","740049","Present"
-"2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F","POUGLPNJDDXLLH-UHFFFAOYSA-N","24205879",NA,"PDBC14313","737061","Present"
-"2-(4-Chloro-2-methylanilino)-N-(3-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-N-(3-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)OC","DNGUUKBDSOKCAV-UHFFFAOYSA-N","24205397",NA,"PDBC14314","735365","Present"
-"2-(4-Chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=C(C=CC=C3Cl)Cl","OUWGQIQTCUKTEV-ORBVJSQLSA-N","45028835",NA,"PDBC14315","744613","Present"
-"2-(4-Chloro-2-methylanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=CC=C3Cl","OULWNDFPGAKKHX-LUOAPIJWSA-N","46227884",NA,"PDBC14316","747198","Present"
-"2-(4-Chloro-2-methylanilino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC(=CC=C3)O","LSHSVKJOTAEYAP-KBKYJPHKSA-N","45028831",NA,"PDBC14317","744609","Present"
-"2-(4-Chloro-2-methylanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)Cl","AZZJZJJSFIWHTO-LUOAPIJWSA-N","45028834",NA,"PDBC14318","744612","Present"
-"2-(4-Chloro-2-methylanilino)-N-[(E)-(4-fluorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-N-[(E)-(4-fluorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)F","RNXFSHINPJUJAN-LUOAPIJWSA-N","45028730",NA,"PDBC14319","743918","Present"
-"2-(4-Chloro-2-methylanilino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC(=C(C=C3)O)OC","RYBYWMARVVPATD-LUOAPIJWSA-N","135958444",NA,"PDBC14320","744610","Present"
-"2-(4-Chloro-2-methylanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","OJKZCWSHKCENPB-KBKYJPHKSA-N","45028729",NA,"PDBC14321","743917","Present"
-"2-(4-Chloro-2-methylanilino)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylanilino)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)N(C)C","ZRIWNMIPAFYDPL-XODNFHPESA-N","45028728",NA,"PDBC14322","743916","Present"
-"2-(4-Chloro-2-methylphenoxy)-N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2-methylphenoxy)-N-(4,6-diamino-1,3,5-triazi...","","CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC(=NC(=N2)N)N","XQFUXZQEMYHTBY-UHFFFAOYSA-N","295477",NA,"PDBC14323","164640","Present"
-"2-(4-Chloro-2-methylphenoxy)-N-(4-chlorobenzo[d]thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4-chloro-2-methylphenoxy)-N-(4-chlorobenzo[d]thiazol-...","","CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=C(S2)C=CC=C3Cl","IQXCFHUNGHLZTH-UHFFFAOYSA-N","4266640",NA,"PDBC14324","736563","Present"
-"2-(4-Chloro-2H-chromen-3-yl)-1H-imidazole-4,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-2H-chromen-3-yl)-1H-imidazole-4,5-dicarbonitrile","","C1C(=C(C2=CC=CC=C2O1)Cl)C3=NC(=C(N3)C#N)C#N","CWVGNKRXVPDBQT-UHFFFAOYSA-N","379952",NA,"PDBC14325","665144","Present"
-"2-(4-Chloro-3-(trifluoromethyl)anilino)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-3-(trifluoromethyl)anilino)-9H-purin-6-ol","","C1=CC(=C(C=C1NC2=NC3=C(C(=O)N2)NC=N3)C(F)(F)F)Cl","XVNBMSSTJYIZHF-UHFFFAOYSA-N","135408827",NA,"PDBC14326","682514","Present"
-"2-(4-Chloro-3-methylphenoxy)-3,4-dihydro-2H-pyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-3-methylphenoxy)-3,4-dihydro-2H-pyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide","","CC1=C(C=CC(=C1)OP2(=O)NCC3=C(O2)C=CC=N3)Cl","XRXYVZXVKIISAO-UHFFFAOYSA-N","395846",NA,"PDBC14327","700849","Present"
-"2-(4-Chloro-3-methylphenoxy)-3,4-dihydro-2H-pyrido[4,3-e][1,3,2]oxazaphosphinine 2-oxide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-3-methylphenoxy)-3,4-dihydro-2H-pyrido[4,3-e][1,3,2]oxazaphosphinine 2-oxide","","CC1=C(C=CC(=C1)OP2(=O)NCC3=C(O2)C=NC=C3)Cl","VUMIFQBQIVXDEZ-UHFFFAOYSA-N","395843",NA,"PDBC14328","700846","Present"
-"2-(4-Chloro-3-methylphenoxy)-N-ethylacetamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-3-methylphenoxy)-N-ethylacetamide","","CCNC(=O)COC1=CC(=C(C=C1)Cl)C","FGMKHPICSRWGCC-UHFFFAOYSA-N","360016",NA,"PDBC14329","621752","Present"
-"2-(4-Chloro-6-methyl-2-(methylthio)-5-pyrimidinyl)ethyl acetate","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-6-methyl-2-(methylthio)-5-pyrimidinyl)ethyl acetate","","CC1=C(C(=NC(=N1)SC)Cl)CCOC(=O)C","BHSICYIIYTYAAF-UHFFFAOYSA-N","378327",NA,"PDBC14330","660336","Present"
-"2-(4-Chloro-benzenesulfonylamino)-benzoic acid","","","","","","","","","","","","","","","","","","","","STK899562","","C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl","OWHRRXDJMFQNDI-UHFFFAOYSA-N","362690",NA,"PDBC14331","626929","Present"
-"2-(4-Chloro-benzenesulfonylimino)-imidazolidine-1-carbodithi oic acid 3-thioxo-5,1-c][1,2,4] thiadiazol-7-yl ester","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-benzenesulfonylimino)-imidazolidine-1-carbod...","","C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=S)SN3CCN4C3=NSC4=S","KSWCVGJYBQXXTR-UHFFFAOYSA-N","24205066",NA,"PDBC14332","734148","Present"
-"2-(4-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one","","C1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)Cl)N=C1","WCUARJVKIMLOAO-UHFFFAOYSA-N","386581",NA,"PDBC14333","679029","Present"
-"2-(4-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one","","CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=C(C=C3)Cl)C","HGJHIFICDQOWJV-UHFFFAOYSA-N","5468913",NA,"PDBC14334","679033","Present"
-"2-(4-Chloro-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(4-chlorophenyl)-6-methyl-","","CC1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)Cl)N=C1","VDNLPIIEPIALSM-UHFFFAOYSA-N","386583",NA,"PDBC14335","679031","Present"
-"2-(4-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(4-chlorophenyl)-7-methyl-","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(C=C3)Cl","RIVJLXUGNRBXCS-UHFFFAOYSA-N","5468912",NA,"PDBC14336","679032","Present"
-"2-(4-Chloroacetylaminophenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","2-(4-Chloroacetylaminophenyl)benzothiazole","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCl","VYBXOEFTXLCKFS-UHFFFAOYSA-N","385071",NA,"PDBC14337","676000","Present"
-"2-(4-Chloroanilino)-3,7-dihydropurin-6-one","","","","","","","","","","","","","","","","","","","","2-(4-Chloroanilino)-9H-purin-6-ol","","C1=CC(=CC=C1NC2=NC3=C(C(=O)N2)NC=N3)Cl","AUUBSEVTDIKILH-UHFFFAOYSA-N","135440031",NA,"PDBC14338","685838","Present"
-"2-(4-Chloroanilino)-N'-(2,4-dichlorophenyl)sulfonyl nicotino hydrazide","","","","","","","","","","","","","","","","","","","","2-(4-chloroanilino)-N'-(2,4-dichlorophenyl)sulfonyl nico...","","C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C(=O)NNS(=O)(=O)C3=C(C=C(C=C3)Cl)Cl","JIFRAKAHLPMFJX-UHFFFAOYSA-N","24205768",NA,"PDBC14339","736602","Present"
-"2-(4-Chloroanilino)-N'-[(4-acetylaminophenyl)sulphonyl]nicotino hydrazide","","","","","","","","","","","","","","","","","","","","2-(4-Chloroanilino)-N'-[(4-acetylaminophenyl)sulphonyl]n...","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N=CC=C2)NC3=CC=C(C=C3)Cl","OTNYYPVKFLDBDD-UHFFFAOYSA-N","16126694",NA,"PDBC14340","737147","Present"
-"2-(4-Chloroanilino)-N-(1,4-dihydroxy-5-phthalazinyl)-4-methyl-1,3-thiazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloroanilino)-N-(1,4-dihydroxy-5-phthalazinyl)-4-methyl-1,3-thiazole-5-carboxamide","","CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC4=C3C(=O)NNC4=O","LZDPIGUMKFXQTJ-UHFFFAOYSA-N","367736",NA,"PDBC14341","637675","Present"
-"2-(4-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC=C(C=C4)Cl","ZOZYNNMWDRRVCG-UHFFFAOYSA-N","376432",NA,"PDBC14342","657346","Present"
-"2-(4-Chloroanilino)-N-(6-((4-chloroanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4-Chloroanilino)-N-(6-((4-chloroanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C(=O)N1NC(=O)CNC4=CC=C(C=C4)Cl","YXAIXYSXEQHINM-UHFFFAOYSA-N","390407",NA,"PDBC14343","687761","Present"
-"2-(4-Chlorobenzyl)-3-(4-chloro-5-methyl-2-sulfidophenylsulfo nylamino)-3-(4-dimethylamino-1-pyridinio)acrylonitrile","","","","","","","","","","","","","","","","","","","","2-(4-chlorobenzyl)-3-(4-chloro-5-methyl-2-sulfidophenyls...","","CC1=CC(=C(C=C1Cl)[S-])S(=O)(=O)NC(=C(C#N)C(=O)C2=CC=C(C=C2)Cl)[N+]3=CC=C(C=C3)N(C)C","MHVRSWARXLBCSI-UHFFFAOYSA-N","5472669",NA,"PDBC14344","720635","Present"
-"2-(4-Chlorobenzylidene)cycloheptanone","","","","","","","","","","","","","","","","","","","","2-(4-Chlorobenzylidene)cycloheptanone","","C1CCC(=CC2=CC=C(C=C2)Cl)C(=O)CC1","VDOMQGYNIKEPNX-ZRDIBKRKSA-N","5469547",NA,"PDBC14345","689956","Present"
-"2-(4-Chlorobutoxy)tetrahydropyran","","","","","","","","","","","","","","","","","","","","ACM41302050","","C1CCOC(C1)OCCCCCl","SZZINZURZKQZLG-UHFFFAOYSA-N","170488",NA,"PDBC14346","617378","Present"
-"2-(4-Chlorophenoxy)-1,3,2-oxathiaphospholane 2-oxide","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenoxy)-1,3,2-oxathiaphospholane 2-oxide","","C1CSP(=O)(O1)OC2=CC=C(C=C2)Cl","LVEGMLRDKRUYQR-UHFFFAOYSA-N","394426",NA,"PDBC14347","697878","Present"
-"2-(4-Chlorophenoxy)-1-methyl-imidazole","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenoxy)-1-methyl-imidazole","","CN1C=CN=C1OC2=CC=C(C=C2)Cl","GXJDXJRXOIVZJN-UHFFFAOYSA-N","307940",NA,"PDBC14348","206381","Present"
-"2-(4-Chlorophenoxy)-2-methyl-N-phenyl-N-(1-piperidinylcarbonyl)propanamide","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenoxy)-2-methyl-N-phenyl-N-(1-piperidinylcarbonyl)propanamide","","CC(C)(C(=O)N(C1=CC=CC=C1)C(=O)N2CCCCC2)OC3=CC=C(C=C3)Cl","GOYALCDANNUROC-UHFFFAOYSA-N","391214",NA,"PDBC14349","690111","Present"
-"2-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanone","","COC1=C(C=C(C=C1)C(=O)CC2=CC=C(C=C2)Cl)OC","UPIRYBQSGRRFBP-UHFFFAOYSA-N","358213",NA,"PDBC14350","618114","Present"
-"2-(4-Chlorophenyl)-1-hydroxyindole-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-1-hydroxy-1h-indole-3-carbonitrile","","C1=CC=C2C(=C1)C(=C(N2O)C3=CC=C(C=C3)Cl)C#N","NUBJHMUYDQLJDY-UHFFFAOYSA-N","270811",NA,"PDBC14351","113802","Present"
-"2-(4-Chlorophenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole","","C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)Cl)C5=CC=CC=C5","YBTBCXZAITUMHA-UHFFFAOYSA-N","390230",NA,"PDBC14352","687522","Present"
-"2-(4-Chlorophenyl)-2-(1,3-dihydroxy-7-iminoquinoxalin-2-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-2-(1,3-dihydroxy-7-iminoquinoxalin-2-yl)acetonitrile","","C1=CC(=CC=C1C(C#N)C2=C(N=C3C=CC(=N)C=C3N2O)O)Cl","AAHXPNHMHLTISG-UHFFFAOYSA-N","3718174",NA,"PDBC14353","621167","Present"
-"2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile","","","","","","","","","","","","","","","","","","","","2,5-Cyclohexadiene-.delta.1,.alpha.-acetonitrile, .alpha...","","C1=CC(=NO)C=CC1=C(C#N)C2=CC=C(C=C2)Cl","CPQMRDWKXUVWAP-UHFFFAOYSA-N","346832",NA,"PDBC14354","405158","Present"
-"2-(4-Chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-methyl]-2-pyridyl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-methyl]-2-pyridyl]acetonitrile","","C1=CC(=NC(=C1)C(C#N)C2=CC=C(C=C2)Cl)C(C#N)C3=CC=C(C=C3)Cl","HDHWCVHVEDSRTI-UHFFFAOYSA-N","366011",NA,"PDBC14355","634184","Present"
-"2-(4-Chlorophenyl)-2-oxoethyl thiocyanate","","","","","","","","","","","","","","","","","","","","NSC100737","","C1=CC(=CC=C1C(=O)CSC#N)Cl","JSIQRJQKMVTGJN-UHFFFAOYSA-N","88013",NA,"PDBC14356","100737","Present"
-"2-(4-Chlorophenyl)-3,5-dihydro-2H-1,5-benzothiazepine-4-thione","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-3,5-dihydro-2H-1,5-benzothiazepine-4-thione","","C1C(SC2=CC=CC=C2NC1=S)C3=CC=C(C=C3)Cl","MLOAYIRCJLFUPW-UHFFFAOYSA-N","3005003",NA,"PDBC14357","667462","Present"
-"2-(4-Chlorophenyl)-3-(3,4-dimethylphenoxy)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-3-(3,4-dimethylphenoxy)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide","","CC1=C(C=C(C=C1)OP2(=O)N(CC3=C(O2)C=CC4=CC=CC=C34)C5=CC=C(C=C5)Cl)C","IJBYXOQOQJEFNW-UHFFFAOYSA-N","360392",NA,"PDBC14358","622457","Present"
-"2-(4-Chlorophenyl)-3-hydroxyquinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-3-hydroxyquinazolin-4(3H)-one","","C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)O","YWWGILQCNLWFDH-UHFFFAOYSA-N","342897",NA,"PDBC14359","380803","Present"
-"2-(4-Chlorophenyl)-4,6-dimethyl(1,3)oxazolo(5,4-d)pyrimidine-5,7(4H,6H)-dione","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-4,6-dimethyl(1,3)oxazolo(5,4-d)pyrimidine-5,7(4H,6H)-dione","","CN1C2=C(C(=O)N(C1=O)C)N=C(O2)C3=CC=C(C=C3)Cl","ZUAIZTFYBJEYHN-UHFFFAOYSA-N","329158",NA,"PDBC14360","310290","Present"
-"2-(4-Chlorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrr...","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC=C(C=C4)Cl","JYEHBUKQIFSWIM-UHFFFAOYSA-N","53361473",NA,"PDBC14361","749864","Present"
-"2-(4-Chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b...","","C1=CC2=C(NC=C2C3=CSC(=N3)C4=CC=C(C=C4)Cl)N=C1","YPCJYYLEFMHQSV-UHFFFAOYSA-N","54613606",NA,"PDBC14362","749863","Present"
-"2-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2,4-dithioxo-1,3-dithia-2$l5,4$l5-diphosphacyclobutane","","COC1=CC=C(C=C1)P2(=S)SP(=S)(S2)C3=CC=C(C=C3)Cl","WDFOVAZKGVCVCD-UHFFFAOYSA-N","397009",NA,"PDBC14363","704245","Present"
-"2-(4-Chlorophenyl)-4-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol","","","","","","","","","","","","","","","","","","","","4'-Chloro-5-(7-chloroquinolin-4-ylamino)-3-((diethylamin...","","CCN(CC)CC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)Cl)O","ZXODOMROLXVJNM-UHFFFAOYSA-N","328159",NA,"PDBC14364","305837","Present"
-"2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(4-chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)...","","CC1=CN(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C","RIZFWOPNUQFLEF-UHFFFAOYSA-N","9946200",NA,"PDBC14365","740031","Present"
-"2-(4-Chlorophenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine","","CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)Cl","BNIMMKNKRKZBSF-UHFFFAOYSA-N","371098",NA,"PDBC14366","645045","Present"
-"2-(4-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","5H-Pyrido[3,2-d][2]benzazepin-6(7H)-one, 2-(4-chlorophen...","","C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC=C(C=C5)Cl","BLFPIZOYOPMKRK-UHFFFAOYSA-N","388197",NA,"PDBC14367","682765","Present"
-"2-(4-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione","","","","","","","","","","","","","","","","","","","","5H-Pyrido[3,2-d][2]benzazepin-6(7H)-thione, 2-(4-chlorop...","","C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=CC=C4)C5=CC=C(C=C5)Cl","ICVTZPMDEQDCID-UHFFFAOYSA-N","3005207",NA,"PDBC14368","682771","Present"
-"2-(4-Chlorophenyl)-4-propylidene-1,3-oxazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-4-propylidene-1,3-oxazol-5(4H)-one","","CCC=C1C(=O)OC(=N1)C2=CC=C(C=C2)Cl","KVCHIFCUABPSOQ-KMKOMSMNSA-N","5388445",NA,"PDBC14369","636342","Present"
-"2-(4-Chlorophenyl)-4-quinolinol","","","","","","","","","","","","","","","","","","","","XPVZKRRTCHLFRZ-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C(=O)C=C(N2)C3=CC=C(C=C3)Cl","XPVZKRRTCHLFRZ-UHFFFAOYSA-N","236003",NA,"PDBC14370","38007","Present"
-"2-(4-Chlorophenyl)-4a,7-dihydro-7-(4-bromobenzoyl)pyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 7-(4-bromobenzoyl)-2-(4-chlorophenyl)-4a,7-dihydropyrrolo[1,2-b]pyridazine-5,6-dicarboxylate","","COC(=O)C1=C(C(N2C1C=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Br)C(=O)OC","MGJVAGRZTPHNRU-UHFFFAOYSA-N","396445",NA,"PDBC14371","702417","Present"
-"2-(4-Chlorophenyl)-4a,7-dihydro-7-benzoylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 7-benzoyl-2-(4-chlorophenyl)-4a,7-dihydropyrrolo[2,1-f]pyridazine-5,6-dicarboxylate","","COC(=O)C1=C(C(N2C1C=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)OC","OYIRNRPSPSOFHI-UHFFFAOYSA-N","396442",NA,"PDBC14372","702415","Present"
-"2-(4-Chlorophenyl)-5,7,7-trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-5,7,7-trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine","","CC1=CC(N=C2N1N=C(S2)C3=CC=C(C=C3)Cl)(C)C","XVWKBEBKZMDXKW-UHFFFAOYSA-N","369063",NA,"PDBC14373","640620","Present"
-"2-(4-Chlorophenyl)-5,7-dihydroxychromene-4-thione","","","","","","","","","","","","","","","","","","","","2-(4-chlorophenyl)-5,7-dihydroxy-4H-chromene-4-thione","","C1=CC(=CC=C1C2=CC(=S)C3=C(C=C(C=C3O2)O)O)Cl","SQKWIVWNSNAGMH-UHFFFAOYSA-N","155813287",NA,"PDBC14374","783090","Present"
-"2-(4-Chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazole-3-thione","","COC1=CC(=C(C=C1)OC)C=CC2=NC(=S)N(N2)C3=CC=C(C=C3)Cl","RFAAPHQRLOVTBZ-XCVCLJGOSA-N","60147768",NA,"PDBC14375","752385","Present"
-"2-(4-Chlorophenyl)-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one","","CC1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)CCC3=CC=CS3","LESPDIRATLYTST-UHFFFAOYSA-N","60147816",NA,"PDBC14376","752472","Present"
-"2-(4-Chlorophenyl)-5-methyl-4-[2-(4-methyl-2-oxochromen-7-yl)oxyethyl]-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","4-(2-(4-methyl-2-oxo-2H-chromen-7-yloxy)ethyl)-2-(4-chlo...","","CC1=CC(=O)OC2=C1C=CC(=C2)OCCN3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C","BLVYCTPKUXLYPK-UHFFFAOYSA-N","71652845",NA,"PDBC14377","761736","Present"
-"2-(4-Chlorophenyl)-5-methyl-7-(4-methyl-1-piperazinyl)[1,2,4]triazolo[1,5-a]pyrimidine","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)[1...","","CC1=NC2=NC(=NN2C(=C1)N3CCN(CC3)C)C4=CC=C(C=C4)Cl","NBVBJTYUHRBBTF-UHFFFAOYSA-N","318119",NA,"PDBC14378","252359","Present"
-"2-(4-Chlorophenyl)-5-nitro-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","10F-395S","","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl","KJXNOHLXULKUIZ-UHFFFAOYSA-N","376353",NA,"PDBC14379","657185","Present"
-"2-(4-Chlorophenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline","","C1C(=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4)C5=CC=C(C=C5)Cl","HABJZKITEFOBAZ-UHFFFAOYSA-N","399103",NA,"PDBC14380","709519","Present"
-"2-(4-Chlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)Cl","TYSPKARFBULHDA-UHFFFAOYSA-N","362320",NA,"PDBC14381","625956","Present"
-"2-(4-Chlorophenyl)-6-(ethylsulfanylmethyl)-3,4-diphenyloxan-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-6-(ethylsulfanylmethyl)-3,4-diphenyloxan-4-ol","","CCSCC1CC(C(C(O1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)(C4=CC=CC=C4)O","SSSTXMLNHBBEBR-UHFFFAOYSA-N","54613287",NA,"PDBC14382","750511","Present"
-"2-(4-Chlorophenyl)-7,8,9,10-tetrahydro-3H,11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-11-one","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-4,17-dithia-2,7,8-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one","","C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)N=C(CS4)C5=CC=C(C=C5)Cl","RCNXFXIFFRKWOE-UHFFFAOYSA-N","384937",NA,"PDBC14383","675759","Present"
-"2-(4-Chlorophenyl)-7-(2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-7-(2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-4H-chromen-4-one","","C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=C(C=C5)Cl","KMERLXXTBRECEL-UHFFFAOYSA-N","371322",NA,"PDBC14384","645396","Present"
-"2-(4-Chlorophenyl)-7-(3-((2-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)propoxy)-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-7-(3-((2-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)propoxy)-4H-chromen-4-one","","C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=C(C=C6)Cl)Cl","PAPUHNAWZZHRMA-UHFFFAOYSA-N","373062",NA,"PDBC14385","648894","Present"
-"2-(4-Chlorophenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(4-chlorophenyl)-7-(4-nitrobenzoyl)pyrrolo[2,1-f]pyridazine-5,6-dicarboxylate","","COC(=O)C1=C2C=CC(=NN2C(=C1C(=O)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl","BQKVEVWCLNMAMY-UHFFFAOYSA-N","396446",NA,"PDBC14386","702418","Present"
-"2-(4-Chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine","","CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)Cl","DSMFZNJRJXGJSS-UHFFFAOYSA-N","222938",NA,"PDBC14387","10036","Present"
-"2-(4-Chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine","","","","","","","","","","","","","","","","","","","","2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-dieth...///NSC13052","","CCN(CC)CCCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)Cl","FTCNBUOQORTZBK-UHFFFAOYSA-N","223170",NA,"PDBC14388","10492///13052","Present"
-"2-(4-Chlorophenyl)-N-[2-(dimethylamino)ethyl]-1H-benzimidazole-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-N-[2-(dimethylamino)ethyl]-1H-benzimidazole-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=C(C=C3)Cl.Cl","QABYPTUHALGLRH-UHFFFAOYSA-N","358108",NA,"PDBC14389","617948","Present"
-"2-(4-Chlorophenyl)furo[2,3-b]quinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)furo[2,3-b]quinoxaline","","C1=CC=C2C(=C1)N=C3C=C(OC3=N2)C4=CC=C(C=C4)Cl","RSUXLGRUZDJMRW-UHFFFAOYSA-N","389682",NA,"PDBC14390","686137","Present"
-"2-(4-Chlorophenyl)imino-3-[2-[4-[2-[2-(4-chlorophenyl)imino-5-oxopyrrolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)imino-3-[2-[4-[2-[2-(4-chlorophenyl)imino-5-oxopyrrolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-1,3-thiazolidin-4-one","","C1CC(=O)N(C1=NC2=CC=C(C=C2)Cl)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CSC4=NC5=CC=C(C=C5)Cl","CHSMDCPCSCOYOQ-UHFFFAOYSA-N","394029",NA,"PDBC14391","697147","Present"
-"2-(4-Chlorophenyl)pyrido[1,2-a]benzimidazol-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)pyrido[1,2-a]benzimidazol-4-ol","","C1=CC=C2C(=C1)N=C3N2C=C(C=C3O)C4=CC=C(C=C4)Cl","IRNLXYHYBPEFNR-UHFFFAOYSA-N","384463",NA,"PDBC14392","674265","Present"
-"2-(4-Chlorophenyl)sulfanylaniline;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC624237","","C1=CC=C(C(=C1)N)SC2=CC=C(C=C2)Cl.Cl","AAYDEQMXCWRCTQ-UHFFFAOYSA-N","361296",NA,"PDBC14393","624237","Present"
-"2-(4-Chlorophenyl)sulfonyl-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole","","","","","","","","","","","","","","","","","","","","2-[(4-Chlorophenyl)sulfonyl]-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2h-benzo[g]indazole","","COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2S(=O)(=O)C5=CC=C(C=C5)Cl","ITPGLSWUSZMSSB-UHFFFAOYSA-N","403622",NA,"PDBC14394","718690","Present"
-"2-(4-Chlorophenyl)sulfonyl-6-methoxy-3-nitropyridine","","","","","","","","","","","","","","","","","","","","NSC778872","","COC1=NC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl","PRKWNRUVAZZHPH-UHFFFAOYSA-N","2801235",NA,"PDBC14395","778872","Present"
-"2-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one","","C1=CN2C(=C1)C(=O)C3=C2C=C(S3)C4=CC=C(C=C4)Cl","HMGYGPIKYMCWGW-UHFFFAOYSA-N","388527",NA,"PDBC14396","683511","Present"
-"2-(4-Chlorophenylamino)-4-amino-5-(1H-indole-3-ylcarbonyl)thiazole","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenylamino)-4-amino-5-(1H-indole-3-ylcarbonyl)thiazole","","C1=CC=C2C(=C1)C(=CN2)C(=O)C3=C(N=C(S3)NC4=CC=C(C=C4)Cl)N","VJPFBEIEOXIDEU-UHFFFAOYSA-N","399624",NA,"PDBC14397","710533","Present"
-"2-(4-Chlorophenylamino)-4-amino-5-(coumarin-3-ylcarbonyl)thiazole","","","","","","","","","","","","","","","","","","","","3-[4-Amino-2-[(4-chlorophenyl)amino]thiazole-5-carbonyl]chromen-2-one","","C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)C3=C(N=C(S3)NC4=CC=C(C=C4)Cl)N","MFAHVZJDXMXBKR-UHFFFAOYSA-N","399623",NA,"PDBC14398","710532","Present"
-"2-(4-Chloropyridin-1-ium-1-yl)propanedinitrile","","","","","","","","","","","","","","","","","","","","2-(4-Chloro-1.lambda.~5~-pyridin-1-yl)malononitrile","","C1=C[N+](=CC=C1Cl)C(=C=[N-])C#N","OEFJKBVCKWMFRL-UHFFFAOYSA-N","361896",NA,"PDBC14399","625239","Present"
-"2-(4-Dimethylaminophenyl)-1-methyl-quinazolin-1-ium-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Dimethylaminophenyl)-1-methyl-quinazolin-1-ium-4-ol","","C[N+]1=C(NC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)N(C)C","BKWOUMBGGHTMMC-UHFFFAOYSA-O","495645",NA,"PDBC14400","664998","Present"
-"2-(4-Dimethylaminophenyl)-3-hydroxy-5-pyridin-1-ium-1-yl-inden-1-one","","","","","","","","","","","","","","","","","","","","2-(4-Dimethylaminophenyl)-3-hydroxy-5-pyridin-1-ium-1-yl-inden-1-one","","CN(C)C1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)[N+]4=CC=CC=C4)[O-]","PZMZCXCNGKCBBJ-UHFFFAOYSA-N","385062",NA,"PDBC14401","675991","Present"
-"2-(4-Dimethylaminophenylmethylene)-1-cycloheptanone","","","","","","","","","","","","","","","","","","","","2-(4-Dimethylaminophenylmethylene)-1-cycloheptanone","","CN(C)C1=CC=C(C=C1)C=C2CCCCCC2=O","JDLYSENYNPGACM-WYMLVPIESA-N","5469553",NA,"PDBC14402","689962","Present"
-"2-(4-Dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanamine;bromide","","","","","","","","","","","","","","","","","","","","2-(4-Dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanamine;bromide","","CCCCCCCCCCCC[N+]12CC[N+](CC1)(CC2)CCN.[Br-]","FZXZBSRHWNDLBP-UHFFFAOYSA-M","373082",NA,"PDBC14403","649001","Present"
-"2-(4-Ethoxy-3,5-dimethoxyphenyl)-5-ethyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Ethoxy-3,5-dimethoxyphenyl)-5-ethyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one","","CCC1C(=O)N2C(=NC(=N2)C3=CC(=C(C(=C3)OC)OCC)OC)S1","HSEMDYYMCJJVGV-UHFFFAOYSA-N","378736",NA,"PDBC14404","661836","Present"
-"2-(4-Ethoxy-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(4-Ethoxy-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione","","CCOC1=CC=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","BOMLWVXIGKCJOI-UHFFFAOYSA-N","377060",NA,"PDBC14405","658275","Present"
-"2-(4-Ethoxypyridin-1-ium-1-yl)propanedinitrile","","","","","","","","","","","","","","","","","","","","2-(4-Ethoxy-1.lambda.~5~-pyridin-1-yl)malononitrile","","CCOC1=CC=[N+](C=C1)C(=C=[N-])C#N","OSGOTNBHPCGJMJ-UHFFFAOYSA-N","361892",NA,"PDBC14406","625237","Present"
-"2-(4-Ethyl)piperazinyl,4'-dimethoxy)benzoyl Quinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-Ethyl)piperazinyl,3-(3',4'-dimethoxy)benzoyl Quinox...","","CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)C4=CC(=C(C=C4)OC)OC","NJMQNWWPRZUHIF-UHFFFAOYSA-N","404974",NA,"PDBC14407","721605","Present"
-"2-(4-Ethyl)piperazinyl,6-nitroquinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-ethyl)piperazinyl,3-benzoyl,6-nitroquinoxaline","","CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C(=O)C4=CC=CC=C4","SJAFHULFCXULGM-UHFFFAOYSA-N","404978",NA,"PDBC14408","721609","Present"
-"2-(4-Ethylanilino)-4-methyl-7-quinolinol","","","","","","","","","","","","","","","","","","","","NSC766422","","CCC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)O)C(=C2)C","TXAHZBLJKKTYRX-UHFFFAOYSA-N","135609784",NA,"PDBC14409","766422","Present"
-"2-(4-Ethylpiperazinyl)3-p-methoxybenzoyl quinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-ethylpiperazinyl)3-p-methoxybenzoyl quinoxaline","","CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)OC","ZGHHWFMOABNUPC-UHFFFAOYSA-N","405315",NA,"PDBC14410","722508","Present"
-"2-(4-Fluoro-2-nitro-anilino)-5-methyl-thiophene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-[(2-Nitro-4-fluorophenyl)amino]-5-methyl-3-thiophenecarbonitrile","","CC1=CC(=C(S1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C#N","XGXFQXXKRNLQNT-UHFFFAOYSA-N","395464",NA,"PDBC14411","700027","Present"
-"2-(4-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one","","CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=C(C=C3)F)C","KGFUEOKHUVKWBU-UHFFFAOYSA-N","5468911",NA,"PDBC14412","679027","Present"
-"2-(4-Fluoro-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(4-fluorophenyl)-6-methyl-","","CC1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)F)N=C1","FGJIRNQLEMABNS-UHFFFAOYSA-N","386577",NA,"PDBC14413","679025","Present"
-"2-(4-Fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N3-[1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl]methyl-2-(...","","C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C=C(N=N3)CNC(=O)C4=C(N=CC=C4)NC5=CC=C(C=C5)F","KGJRZQDJKDDRTO-UHFFFAOYSA-N","90680998",NA,"PDBC14414","758359","Present"
-"2-(4-Fluoroanilino)quinoxalin-6-amine","","","","","","","","","","","","","","","","","","","","2-(4-Fluoroanilino)quinoxalin-6-amine","","C1=CC(=CC=C1NC2=CN=C3C=C(C=CC3=N2)N)F","FGCYGQGVPZGCIX-UHFFFAOYSA-N","374660",NA,"PDBC14415","652760","Present"
-"2-(4-Fluorobenzylidene)cycloheptane-1-one","","","","","","","","","","","","","","","","","","","","2-(4-Fluorobenzylidene)cycloheptane-1-one","","C1CCC(=CC2=CC=C(C=C2)F)C(=O)CC1","NVTCGYVILCVZMN-ZRDIBKRKSA-N","5469549",NA,"PDBC14416","689958","Present"
-"2-(4-Fluorophenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline","","C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2OC4=CC=C(C=C4)F","BOMHWDGBDJVPAB-UHFFFAOYSA-N","388004",NA,"PDBC14417","682367","Present"
-"2-(4-Fluorophenoxy)-3-phenylquinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenoxy)-3-phenylquinoxaline","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)F","PYXRROUOEUTDJI-UHFFFAOYSA-N","386968",NA,"PDBC14418","680195","Present"
-"2-(4-Fluorophenyl)-1,8-naphthyridin-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenyl)-1,8-naphthyridin-4-ol","","C1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)F)N=C1","OVYNUIGNLQPXLC-UHFFFAOYSA-N","386575",NA,"PDBC14419","679023","Present"
-"2-(4-Fluorophenyl)-2H-isoindole-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenyl)-2H-isoindole-1-carbonitrile","","C1=CC2=CN(C(=C2C=C1)C#N)C3=CC=C(C=C3)F","AHBXKDRAAPZAMR-UHFFFAOYSA-N","374886",NA,"PDBC14420","653422","Present"
-"2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole","","COC1=CC=C(C=C1)C2=CN=C(N2)C3=CC=C(C=C3)F","JSVWMVFCKTUIQH-UHFFFAOYSA-N","18673127",NA,"PDBC14421","745612","Present"
-"2-(4-Fluorophenyl)-5-(2-thienyl)-3-(2-thienylmethyl)thiophene","","","","","","","","","","","","","","","","","","","","5-(4-Fluorophenyl)-4-(2-thenyl)-2,2'-bithiophene","","C1=CSC(=C1)CC2=C(SC(=C2)C3=CC=CS3)C4=CC=C(C=C4)F","PKCBGENNGWMGRO-UHFFFAOYSA-N","387336",NA,"PDBC14422","681080","Present"
-"2-(4-Fluorophenyl)-5-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenyl)-5-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]-1,3,4-oxadiazole","","CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C4=NN=C(O4)C5=CC=C(C=C5)F","VNPWFFUHMULMCX-UHFFFAOYSA-N","45027945",NA,"PDBC14423","740241","Present"
-"2-(4-Fluorophenyl)-5-methyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(4-fluorophenyl)-5-methyl-","","CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=C(C=C3)F","NKFFANRWJXOODF-UHFFFAOYSA-N","386576",NA,"PDBC14424","679024","Present"
-"2-(4-Fluorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)F","IWQBLSUXLYFZKP-UHFFFAOYSA-N","362322",NA,"PDBC14425","625958","Present"
-"2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(C=C3)F","SNGDBODRLXYCRJ-UHFFFAOYSA-N","5468910",NA,"PDBC14426","679026","Present"
-"2-(4-Fluorophenyl)-8,8-dimethyl-4-oxo-9H-furo[2,3-h]chromene-9-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenyl)-8,8-dimethyl-4-oxo-9H-furo[2,3-h]chromene-9-carboxylic acid","","CC1(C(C2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=C(C=C4)F)C(=O)O)C","BNXPSWIKHDGCLZ-UHFFFAOYSA-N","388152",NA,"PDBC14427","682716","Present"
-"2-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one","","C1=CN2C(=C1)C(=O)C3=C2C=C(S3)C4=CC=C(C=C4)F","OXDCADFCXJCFJG-UHFFFAOYSA-N","388526",NA,"PDBC14428","683510","Present"
-"2-(4-Formyl(2-((methylsulfonyl)oxy)ethyl)anilino)ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","Benzaldehyde, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-","","CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=O","DCAJFQDHDVTBOS-UHFFFAOYSA-N","230220",NA,"PDBC14429","268965","Present"
-"2-(4-Hexahydro-3H-pyrrolo[1,2-c]imidazol-3-ylidene-2,5-cyclohexadien-1-ylidene)malononitrile","","","","","","","","","","","","","","","","","","","","2-(4-Hexahydro-3H-pyrrolo[1,2-c]imidazol-3-ylidene-2,5-cyclohexadien-1-ylidene)malononitrile","","C1CC2CNC(=C3C=CC(=C(C#N)C#N)C=C3)N2C1","HRLQBQFIVGHSSR-UHFFFAOYSA-N","363742",NA,"PDBC14430","628933","Present"
-"2-(4-Hydroxy-2-butynyl)isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","IBNBDAYJRGIYEC-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CCO","IBNBDAYJRGIYEC-UHFFFAOYSA-N","359215",NA,"PDBC14431","619924","Present"
-"2-(4-Hydroxy-3-methoxybenzylidene)-5-methoxy-1-indanone","","","","","","","","","","","","","","","","","","","","AN-308/15495028","","COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)O)OC)C2","JFCINICPADEORI-NTUHNPAUSA-N","5468150",NA,"PDBC14432","665376","Present"
-"2-(4-Hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-(4-Hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-phenylacetamide","","C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CC(=O)NC4=CC=CC=C4","VSIYMRRBFFSGLP-UHFFFAOYSA-N","370233",NA,"PDBC14433","643002","Present"
-"2-(4-Hydroxybenzylidene)-1-benzofuran-3(2H)-one","","","","","","","","","","","","","","","","","","","","AN-308/15495080","","C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)O)O2","BAYNHPXTNUSVIZ-ZROIWOOFSA-N","1798422",NA,"PDBC14434","657003","Present"
-"2-(4-Hydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate","","","","","","","","","","","","","","","","","","","","2-(4-Hydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate","","CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)O)O2","AOHYJZFBWLTAOC-PXNMLYILSA-N","5467628",NA,"PDBC14435","657012","Present"
-"2-(4-Hydroxybenzylidene)-5-((phenyl-amino)methyl)cyclopentanone","","","","","","","","","","","","","","","","","","","","2-(4-hydroxybenzylidene)-5-((phenyl-amino)methyl)cyclope...","","C1CC(=CC2=CC=C(C=C2)O)C(=O)C1CNC3=CC=CC=C3","VBRBKBFKWVQYLK-NTCAYCPXSA-N","5467972",NA,"PDBC14436","661232","Present"
-"2-(4-Hydroxyphenyl)-5,6-dimethoxy-3H-isoindol-1-one","","","","","","","","","","","","","","","","","","","","2-(4-Hydroxyphenyl)-5,6-dimethoxy-2,3-dihydro-1H-isoindol-1-one","","COC1=C(C=C2C(=C1)CN(C2=O)C3=CC=C(C=C3)O)OC","XQUVLPCXLLTDEC-UHFFFAOYSA-N","379553",NA,"PDBC14437","664229","Present"
-"2-(4-Hydroxyphenyl)-5,6-dimethoxyisoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(4-Hydroxyphenyl)-5,6-dimethoxy-1H-isoindole-1,3(2H)-dione","","COC1=C(C=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)O)OC","PHCDNFHIGYQWAV-UHFFFAOYSA-N","379552",NA,"PDBC14438","664228","Present"
-"2-(4-Hydroxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(4-Hydroxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)O","WGSGXJHQSGQOFW-UHFFFAOYSA-N","364110",NA,"PDBC14439","629779","Present"
-"2-(4-Hydroxyphenyltelluro)-3-methylnaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-(4-Hydroxyphenyltelluro)-3-methylnaphthalene-1,4-dione","","CC1=C(C(=O)C2=CC=CC=C2C1=O)[Te]C3=CC=C(C=C3)O","SZGZHTGTBXCUQD-UHFFFAOYSA-N","49782989",NA,"PDBC14440","748879","Present"
-"2-(4-Hydroxypiperidin-1-yl)-4-(3-(trifluoromethyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one","","","","","","","","","","","","","","","","","","","","2-(4-hydroxypiperidin-1-yl)-4-(3-(trifluoromethyl)phenyl...","","C1CN(CCC1O)C2=NC3=C(C(=O)NC=C3)C(=N2)NC4=CC=CC(=C4)C(F)(F)F","KESYUFNFYLJZHN-UHFFFAOYSA-N","58494270",NA,"PDBC14441","751829","Present"
-"2-(4-Hydroxypiperidin-1-yl)-4-(4-morpholinophenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one","","","","","","","","","","","","","","","","","","","","2-(4-hydroxypiperidin-1-yl)-4-(4-morpholinophenylamino)p...","","C1CN(CCC1O)C2=NC3=C(C(=O)NC=C3)C(=N2)NC4=CC=C(C=C4)N5CCOCC5","KHJMBIAHNUWJPW-UHFFFAOYSA-N","58494192",NA,"PDBC14442","751830","Present"
-"2-(4-Imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)ethyl benzoate","","","","","","","","","","","","","","","","","","","","2-(4-Imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)ethyl benzoate","","C1=CC=C(C=C1)C(=O)OCCN2C=CC(=NC2=O)N","LYHLMJBEGDMHSX-UHFFFAOYSA-N","367643",NA,"PDBC14443","637521","Present"
-"2-(4-Iodobenzyl)ellipticine, hydrochloride","","","","","","","","","","","","","","","","","","","","2-(4-iodobenzyl)ellipticine, hydrochloride","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)CC5=CC=C(C=C5)I.[Cl-]","UTLRRQXGPHVVQQ-UHFFFAOYSA-N","354096",NA,"PDBC14444","604574","Present"
-"2-(4-Iodocuban-1-yl)-4,4-dimethyl-5H-oxazole","","","","","","","","","","","","","","","","","","","","2-(4-Iodocuban-1-yl)-4,4-dimethyl-5H-oxazole","","CC1(COC(=N1)C23C4C5C2C6C3C4C56I)C","XELFLHGSUCKBSJ-UHFFFAOYSA-N","369181",NA,"PDBC14445","640887","Present"
-"2-(4-Isopropoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-[4-(1-meth...","","CC(C)OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC","RTUSIIWBOUVOLS-UHFFFAOYSA-N","256422",NA,"PDBC14446","83281","Present"
-"2-(4-Isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","2-(4-Isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium;bromide","","C1=CC=C2C=[N+](C=CC2=C1)CCCC[N+]3=CC4=CC=CC=C4C=C3.[Br-]","QPVPVCDGRWSRMY-UHFFFAOYSA-M","5351749",NA,"PDBC14447","36369","Present"
-"2-(4-Methoxy-1-naphthyl)-2-azaspiro[4.5]decane-1,3,4-trione","","","","","","","","","","","","","","","","","","","","2-(4-Methoxy-1-naphthyl)-2-azaspiro[4.5]decane-1,3,4-trione","","COC1=CC=C(C2=CC=CC=C21)N3C(=O)C(=O)C4(C3=O)CCCCC4","FMWMASHMRSQBFK-UHFFFAOYSA-N","379235",NA,"PDBC14448","663649","Present"
-"2-(4-Methoxy-1-naphthylamino)-2-oxazoline hydrobromide","","","","","","","","","","","","","","","","","","","","NSC663624","","COC1=CC=C(C2=CC=CC=C21)NC3=NCCO3.Br","MQDHBLTVQQWDGA-UHFFFAOYSA-N","379211",NA,"PDBC14449","663624","Present"
-"2-(4-Methoxy-benzenesulfonylamino)-benzoic acid","","","","","","","","","","","","","","","","","","","","STL296394","","COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O","AIUKHSIQGFTDMT-UHFFFAOYSA-N","362839",NA,"PDBC14450","627211","Present"
-"2-(4-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbodith ioic acid 3-thioxo-5,1-c][1,2,4] thiadiazol-7-yl ester","","","","","","","","","","","","","","","","","","","","2-(4-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbo...","","COC1=CC=C(C=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S","WAGGPKJMAYNWJX-UHFFFAOYSA-N","24205067",NA,"PDBC14451","734149","Present"
-"2-(4-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one","","CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=C(C=C3)OC)C","GCSUBMSZKQPPKZ-UHFFFAOYSA-N","5468703",NA,"PDBC14452","674688","Present"
-"2-(4-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4(1h)-one","","CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=C(C=C3)OC","RDWYUHASFATBBC-UHFFFAOYSA-N","384642",NA,"PDBC14453","674685","Present"
-"2-(4-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(C=C3)OC","USFXGJMYRKGHCG-UHFFFAOYSA-N","5468702",NA,"PDBC14454","674687","Present"
-"2-(4-Methoxyacridin-9-yl)sulfanyl-N-[2-[2-[[2-(4-methoxyacridin-9-yl)sulfanylacetyl]amino]phenyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyacridin-9-yl)sulfanyl-N-[2-[2-[[2-(4-methoxyacridin-9-yl)sulfanylacetyl]amino]phenyl]phenyl]acetamide","","COC1=CC=CC2=C(C3=CC=CC=C3N=C21)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CSC6=C7C=CC=C(C7=NC8=CC=CC=C86)OC","ULLCQWOVPRVLAE-UHFFFAOYSA-N","364063",NA,"PDBC14455","629703","Present"
-"2-(4-Methoxyanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide","","COC1=CC=C(C=C1)NCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4","BVRGHXOSKYDFFK-UHFFFAOYSA-N","376437",NA,"PDBC14456","657351","Present"
-"2-(4-Methoxyanilino)-N-(6-((4-methoxyanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyanilino)-N-(6-((4-methoxyanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)C(=O)N1NC(=O)CNC4=CC=C(C=C4)OC","VVFMQFQZTIEHIJ-UHFFFAOYSA-N","390405",NA,"PDBC14457","687759","Present"
-"2-(4-Methoxybenzyl)-5-chlorobenzoxazole","","","","","","","","","","","","","","","","","","","","2-(4-Methoxybenzyl)-5-chlorobenzoxazole","","COC1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)Cl","SHXGWEUTKFRNPP-UHFFFAOYSA-N","401568",NA,"PDBC14458","715263","Present"
-"2-(4-Methoxybenzylamino)-3-methyl-5-(2-chlorobenzylidene)-1-imidazoline-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxybenzylamino)-3-methyl-5-(2-chlorobenzylidene)-1-imidazoline-4-one","","CN1C(=O)C(=CC2=CC=CC=C2Cl)NC1=NCC3=CC=C(C=C3)OC","TUSRCWWXNUNUGZ-BOPFTXTBSA-N","135436198",NA,"PDBC14459","713593","Present"
-"2-(4-Methoxybenzylamino)-4-(3,4-dimethoxybenzylamino)-6-(cyclohexylamino)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-N'-(3,4-dimethoxy-benzyl)-N''-(4-methoxy-be...","","COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCCC3)NCC4=CC(=C(C=C4)OC)OC","WOTJIYBLYJDISE-UHFFFAOYSA-N","405307",NA,"PDBC14460","722500","Present"
-"2-(4-Methoxybenzylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxybenzylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3(2H)-one","","COC1=CC=C(C=C1)C=C2C(=O)N3CCN=C3S2","IANPDPCQGWKFJB-FLIBITNWSA-N","913916",NA,"PDBC14461","623790","Present"
-"2-(4-Methoxybenzylidene)cycloheptanone","","","","","","","","","","","","","","","","","","","","2-(4-Methoxybenzylidene)cycloheptanone","","COC1=CC=C(C=C1)C=C2CCCCCC2=O","XKNSEAKHAWMCQK-ACCUITESSA-N","5469543",NA,"PDBC14462","689952","Present"
-"2-(4-Methoxybenzylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","NSC629632","","COC1=CC=C(C=C1)C=C2CCCCC2=O","JURVLOCWPWGFIG-ZRDIBKRKSA-N","831238",NA,"PDBC14463","629632","Present"
-"2-(4-Methoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline","","COC1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","BKJWGNMBBVGWTH-UHFFFAOYSA-N","386966",NA,"PDBC14464","680193","Present"
-"2-(4-Methoxyphenyl)-1,1-bis(4-phenylmethoxyphenyl)butan-2-ol","","","","","","","","","","","","","","","","","","","","1,1-Bis[4-(benzyloxy)phenyl]-2-(4-methoxyphenyl)butan-2-ol","","CCC(C1=CC=C(C=C1)OC)(C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)O","IFKJVVOEQWPCOG-UHFFFAOYSA-N","370879",NA,"PDBC14465","644615","Present"
-"2-(4-Methoxyphenyl)-1,8-naphthyridin-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-1,8-naphthyridin-4-ol","","COC1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=CC=C3","RVAMJFMMYXKWAR-UHFFFAOYSA-N","384641",NA,"PDBC14466","674684","Present"
-"2-(4-Methoxyphenyl)-1-methylene-3-(p-tolyl)pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-1-methylene-3-(p-tolyl)pyrazino[1,2-a]benzimidazole","","CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OC","KUVYRUCQWNOKGH-UHFFFAOYSA-N","390234",NA,"PDBC14467","687526","Present"
-"2-(4-Methoxyphenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole","","COC1=CC=C(C=C1)N2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC=CC=C5","VUGPMUJMIOGVIF-UHFFFAOYSA-N","390229",NA,"PDBC14468","687521","Present"
-"2-(4-Methoxyphenyl)-11-methyl-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-18-methyl-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1=C2C(=CC=C1)C3=C(N2)C4C(C5C3CCC(C5)C6=CC=CC=C6)C(=O)N(C4=O)C7=CC=C(C=C7)OC","YYRMECDQTJRLCR-UHFFFAOYSA-N","390913",NA,"PDBC14469","689134","Present"
-"2-(4-Methoxyphenyl)-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","TimTec1_007437","","COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2","HETSSARHFAGODR-UHFFFAOYSA-N","135430309",NA,"PDBC14470","682438","Present"
-"2-(4-Methoxyphenyl)-2,3,4,5,6,7-hexahydro-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-2,3,4,5,6,7-hexahydro-1H-benzimidazole","","COC1=CC=C(C=C1)C2NC3=C(N2)CCCC3","PAQGIZGFCHCPHJ-UHFFFAOYSA-N","373869",NA,"PDBC14471","650832","Present"
-"2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile","","","","","","","","","","","","","","","","","","","","CS-10039","","CNC(C#N)C1=CC=C(C=C1)OC","IRDYATXCQRCAGX-UHFFFAOYSA-N","387691",NA,"PDBC14472","681720","Present"
-"2-(4-Methoxyphenyl)-2-vinyl-1,3-dioxane","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-2-vinyl-1,3-dioxane","","COC1=CC=C(C=C1)C2(OCCCO2)C=C","SMIIKDAIGAASSK-UHFFFAOYSA-N","383345",NA,"PDBC14473","671459","Present"
-"2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile","","COC1=CC=C(C=C1)C(=CC2=CC(=C(C(=C2)OC)OC)OC)C#N","TWQVQTHANQGUMN-OQLLNIDSSA-N","5831763",NA,"PDBC14474","332172","Present"
-"2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanenitrile","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanonit...","","COC1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)OC)OC)OC)C#N","HOEGAADPJGVIFT-UHFFFAOYSA-N","368137",NA,"PDBC14475","638480","Present"
-"2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-3- (3,4,5-trimethoxyphenyl)-propioni...","","COC1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)O","XTQOKYUJTXTOOZ-UHFFFAOYSA-N","368835",NA,"PDBC14476","640127","Present"
-"2-(4-Methoxyphenyl)-3-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","2-(4-methoxy)phenyl-3-((4-methanesulfide)phenyl)imidazo[...","","COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C4=CC=C(C=C4)SC","BNIUKULMJGZVCF-UHFFFAOYSA-N","405133",NA,"PDBC14477","722170","Present"
-"2-(4-Methoxyphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","2-(4-methoxy)phenyl-3-((4-methanesulfonyl)phenyl)imidazo...","","COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C4=CC=C(C=C4)S(=O)(=O)C","SSARXDLPJGIOOC-UHFFFAOYSA-N","405131",NA,"PDBC14478","722168","Present"
-"2-(4-Methoxyphenyl)-3a,3b,4,5,6,7,8,9,10,10a,15,15b-dodecahydro-1H-cyclonona[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","13-(4-Methoxyphenyl)-9,13-diazapentacyclo[14.7.0.02,10.03,8.011,15]tricosa-2(10),3,5,7-tetraene-12,14-dione","","COC1=CC=C(C=C1)N2C(=O)C3C4CCCCCCCC4C5=C(C3C2=O)NC6=CC=CC=C65","VCDXHZUBOZUMDL-UHFFFAOYSA-N","379239",NA,"PDBC14479","663653","Present"
-"2-(4-Methoxyphenyl)-3a,3b,4,5,6,7,8,9,10,11,12,12a,17,17b-tetradecahydro-1H-cycloundeca[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","13-(4-Methoxyphenyl)-9,13-diazapentacyclo[14.9.0.02,10.03,8.011,15]pentacosa-2(10),3,5,7-tetraene-12,14-dione","","COC1=CC=C(C=C1)N2C(=O)C3C4CCCCCCCCCC4C5=C(C3C2=O)NC6=CC=CC=C65","NXBKXOJXZYWTER-UHFFFAOYSA-N","379237",NA,"PDBC14480","663651","Present"
-"2-(4-Methoxyphenyl)-3b,4,5,6,7,8,9,10,11,12,13,13a,18,18b-tetradecahydrocyclododeca[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","13-(4-Methoxyphenyl)-9,13-diazapentacyclo[14.10.0.02,10.03,8.011,15]hexacosa-2(10),3,5,7-tetraene-12,14-dione","","COC1=CC=C(C=C1)N2C(=O)C3C4CCCCCCCCCCC4C5=C(C3C2=O)NC6=CC=CC=C65","CYCJNRNAHZIKNF-UHFFFAOYSA-N","373643",NA,"PDBC14481","650363","Present"
-"2-(4-Methoxyphenyl)-4,5,6-trimethoxyindan-3-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-4,5,6-trimethoxyindan-3-one","","COC1=CC=C(C=C1)C2CC3=CC(=C(C(=C3C2=O)OC)OC)OC","XVJMKZINRLOIEF-UHFFFAOYSA-N","368833",NA,"PDBC14482","640125","Present"
-"2-(4-Methoxyphenyl)-4,5,6-trimethoxyindane","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-4,5,6-trimethoxyindane","","COC1=CC=C(C=C1)C2CC3=CC(=C(C(=C3C2)OC)OC)OC","TWOIUJOADBRPFH-UHFFFAOYSA-N","368834",NA,"PDBC14483","640126","Present"
-"2-(4-Methoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-1H-pyr...","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC=C(C=C4)OC","JFEGIXHMJWUOKV-UHFFFAOYSA-N","54613605",NA,"PDBC14484","749862","Present"
-"2-(4-Methoxyphenyl)-4-methyl-5,5-diphenyl-3-pyrazolidinone","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-4-methyl-5,5-diphenyl-3-pyrazolidinone","","CC1C(=O)N(NC1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC","IGVATZBOONVYEJ-UHFFFAOYSA-N","383528",NA,"PDBC14485","671945","Present"
-"2-(4-Methoxyphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-4-(methylthio)-3H-1,5-benzodiazepine","","COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)SC","WTJZQIABEHYFKS-UHFFFAOYSA-N","371097",NA,"PDBC14486","645044","Present"
-"2-(4-Methoxyphenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","COC1=CC=C(C=C1)C2=NC3=C(CC(=O)NC4=CC=CC=C43)C(=C2)C5=CC=CC=C5","XFIIQAJSZDQULU-UHFFFAOYSA-N","388198",NA,"PDBC14487","682766","Present"
-"2-(4-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidine-4(3H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]...","","COC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCCCC4)C(=O)N2","OGLRTDWRLKEDAG-UHFFFAOYSA-N","125997259",NA,"PDBC14488","775877","Present"
-"2-(4-Methoxyphenyl)-5,9-dimethyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-9,16-dimethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)C)C(=O)N(C3=O)C6=CC=C(C=C6)OC","VENREXJNMXUIOK-UHFFFAOYSA-N","381740",NA,"PDBC14489","668600","Present"
-"2-(4-Methoxyphenyl)-5-(4-methylphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-5-(p-tolyl)-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione","","CC1=CC=C(C=C1)C2CC3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","IIWGYBSSXDFKAD-UHFFFAOYSA-N","373645",NA,"PDBC14490","650365","Present"
-"2-(4-Methoxyphenyl)-5-[8-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-5-[8-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole","","COC1=CC=C(C=C1)C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)C4=CC=C(C=C4)OC","JROJAGQYCFTTDW-UHFFFAOYSA-N","394070",NA,"PDBC14491","697188","Present"
-"2-(4-Methoxyphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one","","CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)OC","JWDLSSYXAGGQHA-UHFFFAOYSA-N","394798",NA,"PDBC14492","698600","Present"
-"2-(4-Methoxyphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)OC","LEFLHZBGYCMOAC-UHFFFAOYSA-N","394801",NA,"PDBC14493","698603","Present"
-"2-(4-Methoxyphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one","","COC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC(=C3)[N+](=O)[O-]","LMNBANUOALYQQA-UHFFFAOYSA-N","394802",NA,"PDBC14494","698604","Present"
-"2-(4-Methoxyphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one","","COC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)[N+](=O)[O-]","VDUJLOYKPUKRLR-UHFFFAOYSA-N","393168",NA,"PDBC14495","694622","Present"
-"2-(4-Methoxyphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline","","COC1=CC=C(C=C1)C2=NN=C3C(=NC4=CC=CC=C4N3C2)C5=CC=CC=C5","XWXFVNNUHYTIOG-UHFFFAOYSA-N","399105",NA,"PDBC14496","709521","Present"
-"2-(4-Methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C7=CC=CC=C7","CIYQXMCNGXZKMO-UHFFFAOYSA-N","390910",NA,"PDBC14497","689131","Present"
-"2-(4-Methoxyphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one","","COC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)C4=CC=CC=C4","AUNZNJCWXMECBV-UHFFFAOYSA-N","395861",NA,"PDBC14498","700863","Present"
-"2-(4-Methoxyphenyl)-6,7-dimethyl-4-oxochromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Oxo-6,7-dimethyl-2-(4-methoxyphenyl)-4H-1-benzopyran-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)OC","GMXSJYMZSFKIPF-UHFFFAOYSA-N","360068",NA,"PDBC14499","621866","Present"
-"2-(4-Methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","1-(4-Methoxyphenyl)-3-(4-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide","","COC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]","WHTJBPZDEQWBQD-UHFFFAOYSA-M","376155",NA,"PDBC14500","656671","Present"
-"2-(4-Methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate","","COC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].[O-]Cl(=O)(=O)=O","IMMKGUBYCGURGU-UHFFFAOYSA-M","24202432",NA,"PDBC14501","656677","Present"
-"2-(4-Methoxyphenyl)-6-methyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one","","CC1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)OC)N=C1","WAQCUFMSLSYOIU-UHFFFAOYSA-N","384643",NA,"PDBC14502","674686","Present"
-"2-(4-Methoxyphenyl)-6-nitro-quinazolin-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-6-nitroquinazolin-4(1H)-one","","COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2","YWYUQDNDRDSBQZ-UHFFFAOYSA-N","135429958",NA,"PDBC14503","626523","Present"
-"2-(4-Methoxyphenyl)-7-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-11-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1CCCC2C1C3=C(C4C2C(=O)N(C4=O)C5=CC=C(C=C5)OC)NC6=CC=CC=C63","JQULSAYEPOTISD-UHFFFAOYSA-N","395264",NA,"PDBC14504","699742","Present"
-"2-(4-Methoxyphenyl)-7-phenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-9-one","","","","","","","","","","","","","","","","","","","","12-(4-Methoxyphenyl)-5-phenyl-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one","","COC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC(=C4)C5=CC=CC=C5","JQCIEWDBXDPFTD-UHFFFAOYSA-N","384945",NA,"PDBC14505","675769","Present"
-"2-(4-Methoxyphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide","","COC1=CC=C(C=C1)CC(=O)NCCC2=C(C(=C(C=C2)OC)OC)OC","KQEQMMMCKJWLTG-UHFFFAOYSA-N","370340",NA,"PDBC14506","643239","Present"
-"2-(4-Methoxyphenyl)butanoic acid","","","","","","","","","","","","","","","","","","","","NE25359","","CCC(C1=CC=C(C=C1)OC)C(=O)O","SHXBXUJGKPPUOS-UHFFFAOYSA-N","34657",NA,"PDBC14507","617282","Present"
-"2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one","","COC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3","AZVIMHSUSDTTCB-UHFFFAOYSA-N","393167",NA,"PDBC14508","694621","Present"
-"2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","COC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC=C3","GMONRTKOBGKSNA-UHFFFAOYSA-N","395671",NA,"PDBC14509","700453","Present"
-"2-(4-Methoxyphenyl)pyrido[1,2-a]benzimidazol-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)pyrido[1,2-a]benzimidazol-4-ol","","COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C2)O","VKQRBBMSIIKZPC-UHFFFAOYSA-N","384464",NA,"PDBC14510","674266","Present"
-"2-(4-Methoxyphenyl)sulfanylaniline;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC624236","","COC1=CC=C(C=C1)SC2=CC=CC=C2N.Cl","RZHYAXXQNCWSQO-UHFFFAOYSA-N","361294",NA,"PDBC14511","624236","Present"
-"2-(4-Methoxyphenylamino)-6,7-dimethyl-8H-[1,3,4]thiadiazolo[3,2-a]thieno[2,3-d]pyrimidine-8-one","","","","","","","","","","","","","","","","","","","","11-(4-Methoxyanilino)-4,5-dimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one","","CC1=C(SC2=C1C(=O)N3C(=N2)SC(=N3)NC4=CC=C(C=C4)OC)C","APZSQZKGJVLXIA-UHFFFAOYSA-N","402648",NA,"PDBC14512","716823","Present"
-"2-(4-Methoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl) nicotinamide","","","","","","","","","","","","","","","","","","","","2-(4-methoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,...","","COC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CN(N=N3)CC4=CC(=CC=C4)OC5=CC=CC=C5","MSMUAOWQNKQEJV-UHFFFAOYSA-N","90681001",NA,"PDBC14513","758362","Present"
-"2-(4-Methoxyphenyldiphenylmethylthio)ethanol","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyldiphenylmethylthio)ethanol","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCO","YGBDGLMWFPTUFS-UHFFFAOYSA-N","401182",NA,"PDBC14514","714383","Present"
-"2-(4-Methyl-2-(methylthio)-6-((triphenylphosphoranylidene)amino)-5-pyrimidinyl)ethyl acetate","","","","","","","","","","","","","","","","","","","","2-(4-Methyl-2-(methylthio)-6-((triphenylphosphoranylidene)amino)-5-pyrimidinyl)ethyl acetate","","CC1=C(C(=NC(=N1)SC)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCOC(=O)C","QWRVNWFRZAIGBO-UHFFFAOYSA-N","377279",NA,"PDBC14515","658532","Present"
-"2-(4-Methyl-piperazin-1-yl)-7-phenyl-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one","","","","","","","","","","","","","","","","","","","","2-(4-Methyl-piperazin-1-yl)-7-phenyl-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one","","CN1CCN(CC1)C2=NC=C3C4=C(C(=O)N(C=N4)C5=CC=CC=C5)SC3=N2","SERKAFCKSHKHDK-UHFFFAOYSA-N","394395",NA,"PDBC14516","697795","Present"
-"2-(4-Methylanilino)-1-thia-3,9-diaza-9H-fluorene-4-one","","","","","","","","","","","","","","","","","","","","2-[(4-Methylphenyl)amino][1,3]thiazino[6,5-b]indol-4(9h)-one","","CC1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)NC4=CC=CC=C43","OSQBDCMNYUFCDA-UHFFFAOYSA-N","405282",NA,"PDBC14517","722435","Present"
-"2-(4-Methylanilino)-9-(tert-butyloxycarbonyl)-1-thia-3,9-diaza-9H-fluorene-4-one","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-[(4-methylphenyl)amino]-4-oxo[1,3]thiazino[6,5-b]indole-9(4h)-carboxylate","","CC1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)N(C4=CC=CC=C43)C(=O)OC(C)(C)C","JRBDEDSKKMNOMV-UHFFFAOYSA-N","405281",NA,"PDBC14518","722434","Present"
-"2-(4-Methylanilino)benzo[f][1,3]benzothiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(4-Methylanilino)benzo[f][1,3]benzothiazole-4,9-dione","","CC1=CC=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","ANHRLFGGMHXEDA-UHFFFAOYSA-N","362272",NA,"PDBC14519","625883","Present"
-"2-(4-Methylbenzylidene)cycloheptanone","","","","","","","","","","","","","","","","","","","","2-(4-Methylbenzylidene)cycloheptanone","","CC1=CC=C(C=C1)C=C2CCCCCC2=O","FNGWXRFKXATYSZ-SDNWHVSQSA-N","5469545",NA,"PDBC14520","689954","Present"
-"2-(4-Methylbenzylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","NSC629631","","CC1=CC=C(C=C1)C=C2CCCCC2=O","ZMOQPFKSFJYXDN-JLHYYAGUSA-N","5387900",NA,"PDBC14521","629631","Present"
-"2-(4-Methylbenzylidene)cyclohexanone oxime","","","","","","","","","","","","","","","","","","","","NSC629633","","CC1=CC=C(C=C1)C=C2CCCCC2=NO","DYMYTHAULUTHEV-XLDKJKIHSA-N","6375159",NA,"PDBC14522","629633","Present"
-"2-(4-Methylphenoxy)aniline hydrochloride","","","","","","","","","","","","","","","","","","","","NSC624229","","CC1=CC=C(C=C1)OC2=CC=CC=C2N.Cl","ZHPOBCXNLCEIDO-UHFFFAOYSA-N","361287",NA,"PDBC14523","624229","Present"
-"2-(4-Methylphenyl)-1H-perimidine","","","","","","","","","","","","","","","","","","","","AN-353/13336029","","CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3C(=CC=C4)N2","VQHBDGIIHYIOAB-UHFFFAOYSA-N","376356",NA,"PDBC14524","657189","Present"
-"2-(4-Methylphenyl)-3-pyrrolidin-1-yl-3-sulfanylidene-1H-benzo[f][1,3,2]benzoxazaphosphinine","","","","","","","","","","","","","","","","","","","","2-(4-Methylphenyl)-3-pyrrolidin-1-yl-3-sulfanylidene-1H-benzo[f][1,3,2]benzoxazaphosphinine","","CC1=CC=C(C=C1)N2CC3=C(C=CC4=CC=CC=C34)OP2(=S)N5CCCC5","JZQGJDKCUXLIMV-UHFFFAOYSA-N","360391",NA,"PDBC14525","622456","Present"
-"2-(4-Methylphenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","1-(4-Methylphenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide","","CC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","LSYFFIOZGSYGSJ-UHFFFAOYSA-M","376151",NA,"PDBC14526","656669","Present"
-"2-(4-Methylphenyl)-4-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(4-Methylphenyl)-4-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine","","CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]","UKAMSRDHYLNTCB-UHFFFAOYSA-N","359802",NA,"PDBC14527","621362","Present"
-"2-(4-Methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(4-Methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole","","CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=CC=CC=C4C=C3","QGEPNMGVLCARHP-UHFFFAOYSA-N","260000",NA,"PDBC14528","90810","Present"
-"2-(4-Methylphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-Methylphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline","","CC1=CC=C(C=C1)C2=NN=C3C(=NC4=CC=CC=C4N3C2)C5=CC=CC=C5","XDONRLKNFFUDST-UHFFFAOYSA-N","399104",NA,"PDBC14529","709520","Present"
-"2-(4-Methylphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","1-(4-Methylphenyl)-3-(4-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide","","CC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]","VRWYKMZNNGHUSC-UHFFFAOYSA-M","376159",NA,"PDBC14530","656673","Present"
-"2-(4-Methylphenyl)-7-phenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-9-one","","","","","","","","","","","","","","","","","","","","7-phenyl-2-(p-tolyl)-3H-thieno[[?]:[?]]pyrimido[[?]][1,3,4]thiadiazin-9-one","","CC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC(=C4)C5=CC=CC=C5","GGQXULRCXQNTQO-UHFFFAOYSA-N","384944",NA,"PDBC14531","675768","Present"
-"2-(4-Methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-amine","","","","","","","","","","","","","","","","","","","","2-(4-Methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-amine","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN=CC=CC4=CC=CC=C4","RTWWUUPHKOZVNB-ALRKKBJSSA-N","9572424",NA,"PDBC14532","716045","Present"
-"2-(4-Methylphenyl)pyrido[1,2-a]benzimidazol-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Methylphenyl)pyrido[1,2-a]benzimidazol-4-ol","","CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C2)O","YHWZUALEVUPJAX-UHFFFAOYSA-N","384462",NA,"PDBC14533","674264","Present"
-"2-(4-Methylphenyl)sulfanylaniline;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC632997","","CC1=CC=C(C=C1)SC2=CC=CC=C2N.Cl","HBHPMEBRXDYMAE-UHFFFAOYSA-N","365384",NA,"PDBC14534","632997","Present"
-"2-(4-Methylpiperazinoacetylamino)-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","2-(4-Methylpiperazinoacetylamino)-4-thiazolecarboxylic acid ethyl ester","","CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCN(CC2)C","BHKBWMYHFRKACP-UHFFFAOYSA-N","396824",NA,"PDBC14535","703828","Present"
-"2-(4-Methylpiperazinyl)3-p-chlorobenzoyl quinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-methylpiperazinyl)3-p-chlorobenzoyl quinoxaline","","CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)Cl","AZFAVCONKLIHPB-UHFFFAOYSA-N","405318",NA,"PDBC14536","722511","Present"
-"2-(4-Methylsulfanyl-2-thienyl)-5-[5-(4-methylsulfanyl-2-thienyl)-2-thienyl]thiophene","","","","","","","","","","","","","","","","","","","","2-(4-Methylsulfanyl-2-thienyl)-5-[5-(4-methylsulfanyl-2-thienyl)-2-thienyl]thiophene","","CSC1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC(=CS4)SC","AKZBVOCRTHFJAI-UHFFFAOYSA-N","393780",NA,"PDBC14537","696465","Present"
-"2-(4-Methylsulfanyl-6-phenyl-1,3,5-triazin-2-yl)propanedinitrile","","","","","","","","","","","","","","","","","","","","2-(4-Methylsulfanyl-6-phenyl-1,3,5-triazin-2-yl)propanedinitrile","","CSC1=NC(=NC(=N1)C(C#N)C#N)C2=CC=CC=C2","QVIJHTVNOXVWJH-UHFFFAOYSA-N","392173",NA,"PDBC14538","692222","Present"
-"2-(4-Morpholinyl)-1-cyclopentene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(4-Morpholinyl)-1-cyclopentene-1-carbonitrile","","C1CC(=C(C1)N2CCOCC2)C#N","JCPZTWRNJBAUSX-UHFFFAOYSA-N","388265",NA,"PDBC14539","682879","Present"
-"2-(4-Morpholinyl)-1-phenyl-1-(2-pyridinyl)-1-propanol","","","","","","","","","","","","","","","","","","","","2-(4-Morpholinyl)-1-phenyl-1-(2-pyridinyl)-1-propanol","","CC(C(C1=CC=CC=C1)(C2=CC=CC=N2)O)N3CCOCC3","RCUZQOAGXSJBDW-UHFFFAOYSA-N","332785",NA,"PDBC14540","331973","Present"
-"2-(4-Morpholinyl)-2,8-diazaspiro[4.5]decane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(4-Morpholinyl)-2,8-diazaspiro[4.5]decane-1,3-dione","","C1CNCCC12CC(=O)N(C2=O)N3CCOCC3","OOBCNSKISYVJKZ-UHFFFAOYSA-N","380318",NA,"PDBC14541","665797","Present"
-"2-(4-Morpholinyl)-8-(4-oxo-4-phenylbutyl)-2,8-diazaspiro[4.5]decane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(4-Morpholinyl)-8-(4-oxo-4-phenylbutyl)-2,8-diazaspiro[4.5]decane-1,3-dione","","C1CN(CCC12CC(=O)N(C2=O)N3CCOCC3)CCCC(=O)C4=CC=CC=C4","QWQCBFNAWBDUED-UHFFFAOYSA-N","380332",NA,"PDBC14542","665858","Present"
-"2-(4-Morpholinylmethyl)-3-phenylquinuclidin-3-ol","","","","","","","","","","","","","","","","","","","","2-(4-Morpholinylmethyl)-3-phenylquinuclidin-3-ol","","C1CN2CCC1C(C2CN3CCOCC3)(C4=CC=CC=C4)O","CCYXXYJAWASQPU-UHFFFAOYSA-N","380026",NA,"PDBC14543","665320","Present"
-"2-(4-Morpholinylmethyl)quinuclidin-3-one","","","","","","","","","","","","","","","","","","","","1-Azabicyclo[2.2.2]octan-3-one, 2-(4-morpholinylmethyl)-","","C1CN2CCC1C(=O)C2CN3CCOCC3","IICSZVOVTPCORP-UHFFFAOYSA-N","288759",NA,"PDBC14544","150094","Present"
-"2-(4-Nitro-3H-pyridin-4-yl)ethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC680483","","C1C=NC=CC1(CCN)[N+](=O)[O-].Cl","XDSIHAHKLDWEBI-UHFFFAOYSA-N","387093",NA,"PDBC14545","680483","Present"
-"2-(4-Nitroanilino)benzo[f][1,3]benzothiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-d]thiazole-4,9-dione, 2-[(4-nitrophenyl) ami...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=C(C=C4)[N+](=O)[O-]","RBLIDVKXHWJBGL-UHFFFAOYSA-N","364767",NA,"PDBC14546","631526","Present"
-"2-(4-Nitroanilino)tetrahydro-2H-pyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","EU-0017992","","C1C(C(C(C(O1)NC2=CC=C(C=C2)[N+](=O)[O-])O)O)O","VNKDLWYBNIBMEY-UHFFFAOYSA-N","373205",NA,"PDBC14547","649172","Present"
-"2-(4-Nitrobenzylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","NIOSH/GW1887500","","C1CCC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C1","WKEXENOSHSPMMW-PKNBQFBNSA-N","5468452",NA,"PDBC14548","670684","Present"
-"2-(4-Nitrobenzylidene)malononitrile","","","","","","","","","","","","","","","","","","","","DICYANO-P-NITROSTYRENE","","C1=CC(=CC=C1C=C(C#N)C#N)[N+](=O)[O-]","BDTIGNGBIBFXSE-UHFFFAOYSA-N","2041",NA,"PDBC14549","98447","Present"
-"2-(4-Nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-(4-Nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one","","C1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]","ORGKRRLYUOUWIU-UHFFFAOYSA-N","393175",NA,"PDBC14550","694629","Present"
-"2-(4-Nitrophenyl)-1,3-dioxane-4,6-dione","","","","","","","","","","","","","","","","","","","","2-(4-Nitrophenyl)-1,3-dioxane-4,6-dione","","C1C(=O)OC(OC1=O)C2=CC=C(C=C2)[N+](=O)[O-]","WEFBPMUAXMHMIL-UHFFFAOYSA-N","278502",NA,"PDBC14551","128177","Present"
-"2-(4-Nitrophenyl)-1-oxido-indol-1-ium-3-one","","","","","","","","","","","","","","","","","","","","2-(4-nitrophenyl)-1-oxido-indol-1-ium-3-one","","C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-]","XSOMQBLCXSTNTI-UHFFFAOYSA-N","361797",NA,"PDBC14552","625111","Present"
-"2-(4-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","SYIDGJRWYFUFAK-UHFFFAOYSA-N","384569",NA,"PDBC14553","674583","Present"
-"2-(4-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","CFEBEKAVOLREQY-UHFFFAOYSA-N","384554",NA,"PDBC14554","674568","Present"
-"2-(4-Nitrophenyl)-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","ALBB-024126","","C1COC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]","MPQNFLWWBYWJGE-UHFFFAOYSA-N","244028",NA,"PDBC14555","54393","Present"
-"2-(4-Nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide","","C1N(N=C(N=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","LROFUJFUMCZINC-UHFFFAOYSA-M","376149",NA,"PDBC14556","656668","Present"
-"2-(4-Nitrophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-nitrophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H...","","CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]","AXKZWVZGLCQMJV-UHFFFAOYSA-N","394797",NA,"PDBC14557","698599","Present"
-"2-(4-Nitrophenyl)-5-phenyl-isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-(4-Nitrophenyl)-5-phenyl-isothiazolo[5,4-b]pyridin-3-one","","C1=CC=C(C=C1)C2=CC3=C(N=C2)SN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-]","GQIRUGALFFPBHU-UHFFFAOYSA-N","395668",NA,"PDBC14558","700450","Present"
-"2-(4-Nitrophenyl)isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-(4-nitrophenyl)isothiazolo[5,4-b]pyridin-3-(2H)-one","","C1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]","FNOXOZZGUYTTPU-UHFFFAOYSA-N","393163",NA,"PDBC14559","694617","Present"
-"2-(4-Nitrophenyl)pyrido[1,2-a]benzimidazol-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Nitrophenyl)pyrido[1,2-a]benzimidazol-4-ol","","C1=CC=C2C(=C1)N=C3N2C=C(C=C3O)C4=CC=C(C=C4)[N+](=O)[O-]","PYXDRZFBVIZYFW-UHFFFAOYSA-N","384465",NA,"PDBC14560","674267","Present"
-"2-(4-Oxo-2-phenylchromen-7-yl)oxypropanoic acid","","","","","","","","","","","","","","","","","","","","2-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)propanoic acid","","CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3","DSSCQSMLZSNTGR-UHFFFAOYSA-N","363676",NA,"PDBC14561","628748","Present"
-"2-(4-Oxo-3,4-dihydroquinazolin-2-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","STK556925","","C1=CC=C2C(=C1)C(=O)NC(=N2)CC#N","VKPPRAWHRPCNBO-UHFFFAOYSA-N","135409077",NA,"PDBC14562","657591","Present"
-"2-(4-Oxo-4-phenyl-butyl)indan-1-one","","","","","","","","","","","","","","","","","","","","2-(4-Oxo-4-phenylbutyl)-1-indanone","","C1C(C(=O)C2=CC=CC=C21)CCCC(=O)C3=CC=CC=C3","GKRCZYKKRCJCON-UHFFFAOYSA-N","385669",NA,"PDBC14563","677015","Present"
-"2-(4-Pentyloxyphenyl)-5-[(4-decyloxyphenyl)azo]-1,3,4-thiadiazole","","","","","","","","","","","","","","","","","","","","(e)-(4-decoxyphenyl)-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]diazene","","CCCCCCCCCCOC1=CC=C(C=C1)N=NC2=NN=C(S2)C3=CC=C(C=C3)OCCCCC","ZJAANTKRAXMSFX-UHFFFAOYSA-N","397865",NA,"PDBC14564","706488","Present"
-"2-(4-Pentylpiperazin-1-yl)pyrimidine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC682068","","CCCCCN1CCN(CC1)C2=NC=CC=N2.Cl","YDMYAMFRGLKNSO-UHFFFAOYSA-N","387856",NA,"PDBC14565","682068","Present"
-"2-(4-Pentynyloxy)pyrimidine","","","","","","","","","","","","","","","","","","","","2-(4-Pentynyloxy)pyrimidine","","C#CCCCOC1=NC=CC=N1","JQGXFQNZBHARIS-UHFFFAOYSA-N","386849",NA,"PDBC14566","679583","Present"
-"2-(4-Phenoxy-benzenesulfonylimino)-imidazolidine-1-carbodith ioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester","","","","","","","","","","","","","","","","","","","","2-(4-Phenoxy-benzenesulfonylimino)-imidazolidine-1-carbo...","","C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=S)SN4CCN5C4=NSC5=S","PEMDVGAKLROJCT-UHFFFAOYSA-N","24205512",NA,"PDBC14567","736067","Present"
-"2-(4-Phenoxybenzylidene)malononitrile","","","","","","","","","","","","","","","","","","","",".para.-Phenoxybenzylidene-malononitrile","","C1=CC=C(C=C1)OC2=CC=C(C=C2)C=C(C#N)C#N","SXRWNGUTWXJXPG-UHFFFAOYSA-N","370254",NA,"PDBC14568","643028","Present"
-"2-(4-Phenoxyphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Phenoxyphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one","","C1=CC=C(C=C1)C2=CC3=C(N=C2)SN(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5","UIKMXJFMSVNXOX-UHFFFAOYSA-N","395669",NA,"PDBC14569","700451","Present"
-"2-(4-Phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-(4-Phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(S3(=O)=O)N=CC=C4","QWAKAYWWRRVGAU-UHFFFAOYSA-N","395670",NA,"PDBC14570","700452","Present"
-"2-(4-Phenyl-1H-1,2,3-triazol-1-yl)-N,N-divinylacetamide","","","","","","","","","","","","","","","","","","","","2-(4-Phenyl-1H-1,2,3-triazol-1-yl)-N,N-divinylacetamide","","C=CN(C=C)C(=O)CN1C=C(N=N1)C2=CC=CC=C2","UMGHLTRMYAOFRP-UHFFFAOYSA-N","386628",NA,"PDBC14571","679082","Present"
-"2-(4-Phenylmethoxyphenyl)butanoic acid","","","","","","","","","","","","","","","","","","","","MNSDWKQEXPQMMM-UHFFFAOYSA-N","","CCC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O","MNSDWKQEXPQMMM-UHFFFAOYSA-N","357760",NA,"PDBC14572","617283","Present"
-"2-(4-Phenylphenyl)benzo[g]quinoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","BIDD:GT0577","","C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC5=CC=CC=C5C=C4C(=C3)C(=O)O","UKUYQFXKQFWUJO-UHFFFAOYSA-N","282667",NA,"PDBC14573","136469","Present"
-"2-(4-Phenylpiperazinoacetylamino)-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","2-(4-Phenylpiperazinoacetylamino)-4-thiazolecarboxylic acid ethyl ester","","CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3","OSKXSVCZACBSQU-UHFFFAOYSA-N","396825",NA,"PDBC14574","703829","Present"
-"2-(4-Phenylpiperazinyl),4-dimethoxybenzoyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(4-phenylpiperazinyl),3-(3,4-dimethoxybenzoyl)quinoxaline","","COC1=C(C=C(C=C1)C(=O)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5)OC","HDSMOJWPCOMYLP-UHFFFAOYSA-N","405316",NA,"PDBC14575","722509","Present"
-"2-(4-Phenylpiperazinyl)-3-benzoyl-7-trifluoromethylquinoxali ne","","","","","","","","","","","","","","","","","","","","2-(4-phenylpiperazinyl)-3-benzoyl-7-trifluoromethylquino...","","C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(C=CC(=C4)C(F)(F)F)N=C3C(=O)C5=CC=CC=C5","WNEPEWYXNDDMTC-UHFFFAOYSA-N","405858",NA,"PDBC14576","723539","Present"
-"2-(4-Phenylsulfanyl-benzyl)-1H-naphth[2,3-d]imidazole","","","","","","","","","","","","","","","","","","","","2-(4-phenylsulfanyl-benzyl)-1H-naphth[2,3-d]imidazole","","C1=CC=C(C=C1)SC2=CC=C(C=C2)CC3=NC4=CC5=CC=CC=C5C=C4N3","HFSRSFGELVZLQI-UHFFFAOYSA-N","406459",NA,"PDBC14577","724550","Present"
-"2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate","","","","","","","","","","","","","","","","","","","","2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate","","CS(=O)(=O)O.C1=CN=CC=C1CCSC(=N)N","KUROWSCNDZZTCV-UHFFFAOYSA-N","498054",NA,"PDBC14578","45870","Present"
-"2-(4-Quinolinylmethylene)malonic acid","","","","","","","","","","","","","","","","","","","","2-(4-Quinolinylmethylene)malonic acid","","C1=CC=C2C(=C1)C(=CC=N2)C=C(C(=O)O)C(=O)O","BVDUPWLRSFKSED-UHFFFAOYSA-N","288912",NA,"PDBC14579","150277","Present"
-"2-(4-Quinolylmethyl)isoquinolinium iodide","","","","","","","","","","","","","","","","","","","","2-(4-QUINOLYLMETHYL)ISOQUINOLINIUM IODIDE","","C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=NC4=CC=CC=C34.[I-]","QGJNITKCTSHVSP-UHFFFAOYSA-M","5351607",NA,"PDBC14580","2518","Present"
-"2-(4-Tert-Butylphenoxy)oxetane","","","","","","","","","","","","","","","","","","","","2-(4-Tert-Butylphenoxy)oxetane","","CC(C)(C)C1=CC=C(C=C1)OC2CCO2","OZPRZJSSPTVHAB-UHFFFAOYSA-N","366913",NA,"PDBC14581","635975","Present"
-"2-(4-Tert-butylphenyl)-6-chloro-3,1-benzoxazin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Tert-butylphenyl)-6-chloro-3,1-benzoxazin-4-one","","CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)O2","PSSWQSOFGQZCMD-UHFFFAOYSA-N","385600",NA,"PDBC14582","676897","Present"
-"2-(4-Tert-butylphenyl)-6-methyl-3,1-benzoxazin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Tert-butylphenyl)-6-methyl-3,1-benzoxazin-4-one","","CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)C(C)(C)C","ABZNXVRZPNSZMJ-UHFFFAOYSA-N","385598",NA,"PDBC14583","676895","Present"
-"2-(4-Tert-butylphenyl)-8-methoxy-3,1-benzoxazin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Tert-butylphenyl)-8-methoxy-3,1-benzoxazin-4-one","","CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3OC)C(=O)O2","BHKIGUCSAYVZDR-UHFFFAOYSA-N","385602",NA,"PDBC14584","676899","Present"
-"2-(4-Toluidino)-7H-pyrrolo[2,3-d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","2-(4-Toluidino)-7H-pyrrolo[2,3-d]pyrimidin-4-ol","","CC1=CC=C(C=C1)NC2=NC3=C(C=CN3)C(=O)N2","WSKWDAYGTDAGEA-UHFFFAOYSA-N","135489824",NA,"PDBC14585","681693","Present"
-"2-(4-Trifluoromethoxy-benzenesulfonylimino)-imidazolidin...","","","","","","","","","","","","","","","","","","","","2-(4-Trifluoromethoxy-benzenesulfonylimino)-imidazolidin...","","C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(=S)SN3CCN4C3=NSC4=S","WXZKRRQPTAOTBE-UHFFFAOYSA-N","24205510",NA,"PDBC14586","736065","Present"
-"2-(4-Trifluoromethyl-benzyl)-1H-naphth[2,3-d]imidazole","","","","","","","","","","","","","","","","","","","","2-(4-trifluoromethyl-benzyl)-1H-naphth[2,3-d]imidazole","","C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC=C(C=C4)C(F)(F)F","ZANNGVLYTWCJAM-UHFFFAOYSA-N","405628",NA,"PDBC14587","722998","Present"
-"2-(4-amino-3-mehtylphenyl)-7-fluorobenzothiazole","","","","","","","","","","","","","","","","","","","","2-(4-amino-3-mehtylphenyl)-7-fluorobenzothiazole","","CC1=C(C=CC(=C1)C2=NC3=C(S2)C(=CC=C3)F)N","HNTKIXWEQUTXMD-UHFFFAOYSA-N","400167",NA,"PDBC14588","711670","Present"
-"2-(4-amino-3-methylphenyl)-5,6-difluorobenzothiazole","","","","","","","","","","","","","","","","","","","","2-(4-amino-3-methylphenyl)-5,6-difluorobenzothiazole","","CC1=C(C=CC(=C1)C2=NC3=CC(=C(C=C3S2)F)F)N","OFVYPGBTHKOFPS-UHFFFAOYSA-N","400168",NA,"PDBC14589","711671","Present"
-"2-(4-benzamido-2-oxo-pyrimidin-1-yl)ethyl benzoate","","","","","","","","","","","","","","","","","","","","2-(4-benzamido-2-oxo-pyrimidin-1-yl)ethyl benzoate","","C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CCOC(=O)C3=CC=CC=C3","BLTYESBKWJILPB-UHFFFAOYSA-N","367644",NA,"PDBC14590","637522","Present"
-"2-(4-{4-(2-Benzoyl-4-chlorophenoxy)butyl]hexahydro-1-pyrazin yl}butoxy)-5-chlorophenyl methanone","","","","","","","","","","","","","","","","","","","","2-(4-{4-(2-Benzoyl-4-chlorophenoxy)butyl]hexahydro-1-pyr...","","C1CN(CCN1CCCCOC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)CCCCOC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5","DVHCBBCKGXWFGM-UHFFFAOYSA-N","24205564",NA,"PDBC14591","736167","Present"
-"2-(5,11-Dimethylpyrido[4,3-b]carbazol-6-yl)ethyl benzoate","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazole-6-ethanol, 5,11-dimethyl, benz...","","CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCOC(=O)C5=CC=CC=C5)C","PPANGFXMJDUHNG-UHFFFAOYSA-N","294609",NA,"PDBC14592","163443","Present"
-"2-(5,2-Dihydro-quinoline-8-yl)-3-isobutylamino-but-2-enoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","2-(5,6-Dihydroxy-4-methyl-2-oxo-1,2-dihydro-quinoline-8-...","","CCOC(=O)C(=C(C)NCC(C)C)C1=CC(=C(C2=C1NC(=O)C=C2C)O)O","IRDFLHRAKNXOOX-ATVHPVEESA-N","45028123",NA,"PDBC14593","741203","Present"
-"2-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)naphthalen-1-ol","","","","","","","","","","","","","","","","","","","","2-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)naphthalen-1-ol","","CC1(CN=C(N1)C2=C(C3=CC=CC=C3C=C2)O)C","OBZPVHMPXUURJN-UHFFFAOYSA-N","395638",NA,"PDBC14594","700420","Present"
-"2-(5,5-Dimethyl-2-undecyl-4H-imidazol-3-yl)-2-methylpropan-1-ol","","","","","","","","","","","","","","","","","","","","2-(4,4-Dimethyl-2-undecyl-4,5-dihydro-1h-imidazol-1-yl)-2-methylpropan-1-ol","","CCCCCCCCCCCC1=NC(CN1C(C)(C)CO)(C)C","BBSALHCDRCTCBV-UHFFFAOYSA-N","226868",NA,"PDBC14595","17761","Present"
-"2-(5,5-Dimethyl-2-undecyl-4H-imidazol-3-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-(4,4-Dimethyl-2-undecyl-4,5-dihydro-1h-imidazol-1-yl)ethanol","","CCCCCCCCCCCC1=NC(CN1CCO)(C)C","YOVZSVQYSGKERM-UHFFFAOYSA-N","226863",NA,"PDBC14596","17753","Present"
-"2-(5,6,7,8-Tetrahydro-2-naphthalenylmethyl)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-1-one","","","","","","","","","","","","","","","","","","","","2-(5,6,7,8-Tetrahydro-2-naphthalenylmethyl)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-1-one","","C1CCC2=C(C1)C=CC(=C2)CC3CC4=C(C3=O)C5=C(CCCC5)C=C4","NSUADTNWTVTKHX-UHFFFAOYSA-N","384720",NA,"PDBC14597","674956","Present"
-"2-(5,6,8,9,11,12-Hexahydro-7,10-dioxa-1,3,4,13-tetrathia-cyclopentacyclododecen-2-ylidene)-5,6,8,9,11,12-hexahydro-7,10-dioxa-1,3,4,13-tetrathia-cyclopentacyclododecene","","","","","","","","","","","","","","","","","","","","2-(5,6,8,9,11,12-Hexahydro-7,10-dioxa-1,3,4,13-tetrathia-cyclopentacyclododecen-2-ylidene)-5,6,8,9,11,12-hexahydro-7,10-dioxa-1,3,4,13-tetrathia-cyclopentacyclododecene","","C1COCCSC2=C(SCCO1)SC(=C3SC4=C(S3)SCCOCCOCCS4)S2","IOVSPCFLQBQDEY-UHFFFAOYSA-N","370652",NA,"PDBC14598","644014","Present"
-"2-(5,6-Dimethylbenzimidazol-1-yl)acetic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC163160","","CC1=CC2=C(C=C1C)N(C=N2)CC(=O)O.Cl","JOAXRJJIZQTASK-UHFFFAOYSA-N","24194100",NA,"PDBC14599","163160","Present"
-"2-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","p-Benzoquinone, 2-(5,7-dihydroxy-4-oxo-2-chromanyl)- 5-m...","","COC1=CC(=O)C(=CC1=O)C2CC(=O)C3=C(C=C(C=C3O2)O)O","LALMIDHSHXJNPR-UHFFFAOYSA-N","297961",NA,"PDBC14600","169517","Present"
-"2-(5,7-Trimethoxyindol-2-carbonyl)amino-4H-pyrazolo[1,5-a] indole","","","","","","","","","","","","","","","","","","","","2-(5,6,7-Trimethoxyindol-2-carbonyl)amino-4H-pyrazolo[1,...","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NC3=NN4C(=C3)CC5=CC=CC=C54)OC)OC","QIZWXQYRUHNGOD-UHFFFAOYSA-N","404173",NA,"PDBC14601","720326","Present"
-"2-(5,8-Dimethoxy-2-naphthyl)-2-methyl-1,3-dithiane","","","","","","","","","","","","","","","","","","","","2-(5,8-Dimethoxy-2-naphthyl)-2-methyl-1,3-dithiane","","CC1(SCCCS1)C2=CC3=C(C=CC(=C3C=C2)OC)OC","UDYBWSTUELEMKR-UHFFFAOYSA-N","363962",NA,"PDBC14602","629499","Present"
-"2-(5,8-Dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-(5,8-Dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetonitrile","","C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CC#N)[N+](=O)[O-]","CHVJOXFYZZUEJR-UHFFFAOYSA-N","357364",NA,"PDBC14603","615798","Present"
-"2-(5-((1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)methyl)-2,2-dimethyl-4,6-dioxocyclohexyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[5-[(1,3-Dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide","","CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C3C(=O)C(C(=O)CC3(C)C)CC4C(=O)C5=CC=CC=C5C4=O","OYGYPFGJGQWDBF-UHFFFAOYSA-N","373473",NA,"PDBC14604","649828","Present"
-"2-(5-((1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)methyl)-2,2-dimethyl-4,6-dioxocyclohexyl)-N-(7-hydroxy-1-naphthyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[5-[(1,3-Dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-N-(7-hydroxynaphthalen-1-yl)-2-oxoacetamide","","CC1(CC(=O)C(C(=O)C1C(=O)C(=O)NC2=CC=CC3=C2C=C(C=C3)O)CC4C(=O)C5=CC=CC=C5C4=O)C","KBLDJIBQZZQFFC-UHFFFAOYSA-N","373374",NA,"PDBC14605","649587","Present"
-"2-(5-(1,3-Benzoxazol-2-yl)bicyclo[4.2.0]octa-1,3,5-trien-2-yl)-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","2-(5-(1,3-Benzoxazol-2-yl)bicyclo[4.2.0]octa-1,3,5-trien-2-yl)-1,3-benzoxazole","","C1CC2=C(C=CC(=C21)C3=NC4=CC=CC=C4O3)C5=NC6=CC=CC=C6O5","POJGLWGZDKBSFN-UHFFFAOYSA-N","381852",NA,"PDBC14606","669019","Present"
-"2-(5-(1-(2-Hydroxyethyl)-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)hexahydroimidazo[1,2-a]pyridin-1(5H)-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-[5-[1-(2-Hydroxyethyl)-3,7,8,8a-tetrahydro-2H-imidazo[1,2-a]pyridin-6-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridin-1-yl]ethanol","","C1CC(N2CCN(C2C1)CCO)C3=CN4CCN(C4CC3)CCO","OFZQXONCTBCYNS-UHFFFAOYSA-N","370999",NA,"PDBC14607","644860","Present"
-"2-(5-(2,3-Bis(4-methoxyphenyl)-3-oxopropyl)-2,2-dimethyl-4,6-dioxocyclohexyl)-N-(2,6-dimethylphenyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-[5-[2,3-Bis(4-methoxyphenyl)-3-oxopropyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-N-(2,6-dimethylphenyl)-2-oxoacetamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)C2C(=O)C(C(=O)CC2(C)C)CC(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC","NKWMHORWBJWYDH-UHFFFAOYSA-N","373447",NA,"PDBC14608","649805","Present"
-"2-(5-(2,4-Dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-1-naphthol","","","","","","","","","","","","","","","","","","","","2-(5-(2,4-Dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-1-naphthol","","C1C(NN=C1C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)Cl)Cl","PNJUUUNRFPGTPO-UHFFFAOYSA-N","390442",NA,"PDBC14609","687796","Present"
-"2-(5-(2-(Acetyloxy)phenyl)-3-oxo-1,4-pentadienyl)phenyl acetate","","","","","","","","","","","","","","","","","","","","2-(5-(2-(Acetyloxy)phenyl)-3-oxo-1,4-pentadienyl)phenyl acetate","","CC(=O)OC1=CC=CC=C1C=CC(=O)C=CC2=CC=CC=C2OC(=O)C","RNHOOXNUFNRJSM-PHEQNACWSA-N","5468558",NA,"PDBC14610","671636","Present"
-"2-(5-(2-Thienyl)-4,5-dihydro-1H-pyrazol-3-yl)-1-naphthol","","","","","","","","","","","","","","","","","","","","2-(5-(2-Thienyl)-4,5-dihydro-1H-pyrazol-3-yl)-1-naphthol","","C1C(NN=C1C2=C(C3=CC=CC=C3C=C2)O)C4=CC=CS4","XNSWBQYSQAMHSO-UHFFFAOYSA-N","390444",NA,"PDBC14611","687798","Present"
-"2-(5-(4-Chlorophenyl)-1-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine","","","","","","","","","","","","","","","","","","","","2-(5-(4-Chlorophenyl)-1-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine","","C1CNC(=NC1)C2=C(N(N=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","IDIAXXAXUKPKOX-UHFFFAOYSA-N","371089",NA,"PDBC14612","645035","Present"
-"2-(5-(4-Chlorophenyl)-3-mesityl-4-isoxazolyl)-1,4,5,6-tetrahydropyrimidine","","","","","","","","","","","","","","","","","","","","3-(2,4,6-Trimethylphenyl)-4-(2-tetrahydropyrimidinyl)-5-...","","CC1=CC(=C(C(=C1)C)C2=NOC(=C2C3=NCCCN3)C4=CC=C(C=C4)Cl)C","WCKQWRNVXAPROL-UHFFFAOYSA-N","371105",NA,"PDBC14613","645052","Present"
-"2-(5-(4-Methoxyphenyl)-1-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine","","","","","","","","","","","","","","","","","","","","2-(5-(4-Methoxyphenyl)-1-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine","","COC1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)C4=NCCCN4","NDTROCNAKYGXFT-UHFFFAOYSA-N","371088",NA,"PDBC14614","645034","Present"
-"2-(5-(Benzyloxy)-1H-indol-3-yl)-5-imino-2,5-dihydro-3,4-furandiol","","","","","","","","","","","","","","","","","","","","2-(5-(Benzyloxy)-1H-indol-3-yl)-5-imino-2,5-dihydro-3,4-furandiol","","C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C4C(=O)C(=C(O4)N)O","SOQBQROVZZERKD-UHFFFAOYSA-N","340877",NA,"PDBC14615","372074","Present"
-"2-(5-(Hydroxy(oxido)amino)-2-methylanilino)-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","2-(5-(Hydroxy(oxido)amino)-2-methylanilino)-4,5-dihydro-1,3-oxazole","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NCCO2","RBLAYVPQOSLLDC-UHFFFAOYSA-N","379842",NA,"PDBC14616","664974","Present"
-"2-(5-(Phenylsulfonyl)-4,5-dihydro-3-isoxazolyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2-(5-(Phenylsulfonyl)-4,5-dihydro-3-isoxazolyl)-1H-benzimidazole","","C1C(ON=C1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4","RDKXKORHCNFKAX-UHFFFAOYSA-N","392769",NA,"PDBC14617","693593","Present"
-"2-(5-Acetyl-3-cyano-6-methyl-1H-pyridin-2-ylidene)propanedinitrile","","","","","","","","","","","","","","","","","","","","2-(5-Acetyl-3-cyano-6-methyl-1H-pyridin-2-ylidene)propanedinitrile","","CC1=NC(=C(C#N)C#N)C(=CC1=C(C)O)C#N","RBEOYHOPAUNJLV-FLIBITNWSA-N","135467695",NA,"PDBC14618","680308","Present"
-"2-(5-Amino-1,3,4-oxadiazol-2-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-(5-Amino-1,3,4-oxadiazol-2-yl)acetonitrile","","C(C#N)C1=NN=C(O1)N","DTXFXKMIEUOGLZ-UHFFFAOYSA-N","358745",NA,"PDBC14619","618809","Present"
-"2-(5-Amino-1,3-benzoxazol-2-yl)guanidine","","","","","","","","","","","","","","","","","","","","2-(5-Amino-1,3-benzoxazol-2-yl)guanidine","","C1=CC2=C(C=C1N)N=C(O2)N=C(N)N","YVZQRFOWBMPPCV-UHFFFAOYSA-N","358484",NA,"PDBC14620","618492","Present"
-"2-(5-Amino-1-benzyl-1H-imidazol-4-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-(5-Amino-1-benzyl-1H-imidazol-4-yl)-2-oxoacetamide","","C1=CC=C(C=C1)CN2C=NC(=C2N)C(=O)C(=O)N","ZLNJQLQUHPPMFG-UHFFFAOYSA-N","382612",NA,"PDBC14621","670253","Present"
-"2-(5-Amino-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole","","","","","","","","","","","","","","","","","","","","2-(5-Amino-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole","","CC1=CSC(=N1)C2=CN(C3=C2C(=O)C(=CC3=O)N)C","INIMYFRKXZWMNQ-UHFFFAOYSA-N","392620",NA,"PDBC14622","693179","Present"
-"2-(5-Amino-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-N,N-dipropylacetamide","","","","","","","","","","","","","","","","","","","","2-(5-Amino-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-N,N-dipropylacetamide","","CCCN(CCC)C(=O)C(=O)C1=C(NN(C1=O)C2=CC=CC=C2)N","TUSNNKPLPFHYMI-UHFFFAOYSA-N","360427",NA,"PDBC14623","622563","Present"
-"2-(5-Amino-4-cyano-1,3-oxazol-2-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(5-Amino-4-cyano-1,3-oxazol-2-yl)benzoic acid","","C1=CC=C(C(=C1)C2=NC(=C(O2)N)C#N)C(=O)O","KURNYXGBEWVEEB-UHFFFAOYSA-N","389098",NA,"PDBC14624","684783","Present"
-"2-(5-Amino-4-cyano-2-oxo-1H-pyrrol-3-ylidene)propanedinitrile","","","","","","","","","","","","","","","","","","","","2-(5-Amino-4-cyano-2-oxo-1H-pyrrol-3-ylidene)propanedinitrile","","C(#N)C1=C(NC(=O)C1=C(C#N)C#N)N","XZUAYNMTFLSFLP-UHFFFAOYSA-N","394325",NA,"PDBC14625","697694","Present"
-"2-(5-Anilino-1,3,4-thiadiazol-2-yl)-3H-benzo[f]chromen-3-one","","","","","","","","","","","","","","","","","","","","2-(5-Anilino-1,3,4-thiadiazol-2-yl)benzo[f]chromen-3-one","","C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O","QDBYPRRKRSQQLO-UHFFFAOYSA-N","399116",NA,"PDBC14626","709535","Present"
-"2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide","","","","","","","","","","","","","","","","","","","","2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)NN=CC5=CC(=CC=C5)OC6=CC=CC=C6","URDPBUHNCGFICD-KZEIVMGFSA-N","135436248",NA,"PDBC14627","716128","Present"
-"2-(5-Benzyl-3-cyano-4,5-dimethyl-2-furylidene)propanedinitrile","","","","","","","","","","","","","","","","","","","","2-(5-Benzyl-3-cyano-4,5-dimethyl-2-furylidene)propanedinitrile","","CC1=C(C(=C(C#N)C#N)OC1(C)CC2=CC=CC=C2)C#N","QOGIOQFWVPQUKS-UHFFFAOYSA-N","389746",NA,"PDBC14628","686343","Present"
-"2-(5-Benzyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-m-tolyl-acetamide","","","","","","","","","","","","","","","","","","","","2-(5-Benzyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-m-tolyl-acetamide","","CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","GWVDOPHTEFABPT-UHFFFAOYSA-N","375284",NA,"PDBC14629","654801","Present"
-"2-(5-Bromo-1H-indol-3-yl)-4-(1-methylpyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(5-bromo-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-...","","CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","HPIUWKAKIDVNHN-UHFFFAOYSA-N","155809387",NA,"PDBC14630","801593","Present"
-"2-(5-Bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","2-(5-Bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)-1,3-thiazole","","C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","LUGFTPDIVFLZIW-UHFFFAOYSA-N","397546",NA,"PDBC14631","705866","Present"
-"2-(5-Bromo-1H-indol-3-yl)-4-(6-bromo-1H-indol-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","2-(5-Bromo-1H-indol-3-yl)-4-(6-bromo-1H-indol-3-yl)-1,3-thiazole","","C1=CC2=C(C=C1Br)NC=C2C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","OODMECCQRIFICR-UHFFFAOYSA-N","397549",NA,"PDBC14632","705869","Present"
-"2-(5-Bromo-1H-indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","2-(5-Bromo-1H-indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole","","COC1=CC2=C(C=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","ZINIWQCGXMQQSK-UHFFFAOYSA-N","397552",NA,"PDBC14633","705872","Present"
-"2-(5-Bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(5-bromo-1H-indol-3-yl)-1,3-thiazol-4-yl]-7-chloro-...","","C1=CC2=C(C=C1Br)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=CN=C5Cl","VGIVNEAHPDYLCJ-UHFFFAOYSA-N","155815650",NA,"PDBC14634","781805","Present"
-"2-(5-Bromo-2-chloropyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanenitrile","","","","","","","","","","","","","","","","","","","","(5-Bromo-2-chloropyrimidin-4-yl)(1-methyl-1h-benzimidazol-2-yl)acetonitrile","","CN1C2=CC=CC=C2N=C1C(C#N)C3=NC(=NC=C3Br)Cl","WCDBCRJFWNTRSV-UHFFFAOYSA-N","395222",NA,"PDBC14635","699697","Present"
-"2-(5-Bromo-2-pyridylazo)-5-dimethylaminophenol","","","","","","","","","","","","","","","","","","","","(E)-2-((5-bromopyridin-2-yl)diazenyl)-5-(dimethylamino)p...","","CN(C)C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)O","LNIGBQNXJNNICD-UHFFFAOYSA-N","135552954",NA,"PDBC14636","794457","Present"
-"2-(5-Bromo-6-formyl-3-methyl-2,4-dioxopyrimidin-1-yl)ethyl nitrate","","","","","","","","","","","","","","","","","","","","2-(5-Bromo-6-formyl-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethyl nitrate","","CN1C(=O)C(=C(N(C1=O)CCO[N+](=O)[O-])C=O)Br","PAQINCGATKGYNM-UHFFFAOYSA-N","383812",NA,"PDBC14637","672424","Present"
-"2-(5-Bromopentyl)cyclododecanone","","","","","","","","","","","","","","","","","","","","2-(5-Bromopentyl)cyclododecanone","","C1CCCCCC(=O)C(CCCC1)CCCCCBr","YQMZWDQGZBYMIH-UHFFFAOYSA-N","380713",NA,"PDBC14638","666419","Present"
-"2-(5-Bromothien-2-ylsulfonyl)-6-chloro-7-cyano-1,3-dihydro-1,4,2-benzodithiazine","","","","","","","","","","","","","","","","","","","","2-(5-Bromothien-2-ylsulfonyl)-6-chloro-7-cyano-1,1-dioxo...","","C1=CC=C(C=C1)N=C2N(S(=O)(=O)C3=C(S2)C=C(C(=C3)C#N)Cl)S(=O)(=O)C4=CC=C(S4)Br","OGOWSPNXDAWXCW-UHFFFAOYSA-N","24205033",NA,"PDBC14639","734037","Present"
-"2-(5-Bromothiophene-2-sulfonyl)-6-chloro-2-(4-chlorophenylim ino)-7-methyl-1,3-dihydro-1,4,2-benzodithiazine","","","","","","","","","","","","","","","","","","","","2-(5-Bromothiophene-2-sulfonyl)-6-chloro-2-(4-chlorophen...","","CC1=CC2=C(C=C1Cl)SC(=NC3=CC=C(C=C3)Cl)N(S2(=O)=O)S(=O)(=O)C4=CC=C(S4)Br","MDWFQQLMNFUWFY-UHFFFAOYSA-N","24204335",NA,"PDBC14640","731393","Present"
-"2-(5-Bromouracil)-4'-phenylacetophenone","","","","","","","","","","","","","","","","","","","","2-(5-Bromouracil)-4'-phenylacetophenone","","C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C=C(C(=O)NC3=O)Br","DWCQDZKZJRKCFX-UHFFFAOYSA-N","386636",NA,"PDBC14641","679091","Present"
-"2-(5-Butyl-3-pentyl-2-thienyl)furan","","","","","","","","","","","","","","","","","","","","2-(5-Butyl-3-pentyl-2-thienyl)furan","","CCCCCC1=C(SC(=C1)CCCC)C2=CC=CO2","GVBPHJDVTRIEAQ-UHFFFAOYSA-N","377737",NA,"PDBC14642","659329","Present"
-"2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","[(4z)-5-Butyl-4-imino-1-phenyl-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile","","CCCCN1C=NC2=C(C1=N)C(=NN2C3=CC=CC=C3)CC#N","STZJKQMYVJOMDY-UHFFFAOYSA-N","230942",NA,"PDBC14643","26382","Present"
-"2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide","","COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC","LSGGFMVHIWSKLA-XKJRVUDJSA-N","45029125",NA,"PDBC14644","745484","Present"
-"2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide","","COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN","FKILIECJPZJYGK-UHFFFAOYSA-N","45028722",NA,"PDBC14645","743910","Present"
-"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methoxyanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=C(C=CC=C3Cl)Cl","XUXNWAYEERAMQV-ORBVJSQLSA-N","45028829",NA,"PDBC14646","744607","Present"
-"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methoxyanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=CC=C3Cl","ILCWQQJLMYDUBJ-LUOAPIJWSA-N","45028723",NA,"PDBC14647","743911","Present"
-"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methoxyanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)Cl","FYPWBCJERZWMLB-LUOAPIJWSA-N","45028830",NA,"PDBC14648","744608","Present"
-"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methoxyanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","YLUGDBWUYWDSFI-KBKYJPHKSA-N","45028724",NA,"PDBC14649","743912","Present"
-"2-(5-Chloro-2-methoxyanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methoxyanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CN=CC=C3","UGHWFIPAWYKDKG-KBKYJPHKSA-N","45028726",NA,"PDBC14650","743914","Present"
-"2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide","","CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC","PATVTQBKZZSIBN-UHFFFAOYSA-N","24882415",NA,"PDBC14651","740051","Present"
-"2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide","","CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F","UYNPXECETRBSLI-UHFFFAOYSA-N","24205867",NA,"PDBC14652","737049","Present"
-"2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N","ZQDOAXCERUPUFD-UHFFFAOYSA-N","24204601",NA,"PDBC14653","732287","Present"
-"2-(5-Chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=C(C=CC=C3Cl)Cl","WNRVYWQARUSYHJ-ORBVJSQLSA-N","46227829",NA,"PDBC14654","747199","Present"
-"2-(5-Chloro-2-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(5-Chloro-2-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CN=CC=C3","ZZTIQJCZOPGNFV-KBKYJPHKSA-N","45028727",NA,"PDBC14655","743915","Present"
-"2-(5-Chloro-8-hydroxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-[(5-Chloro-8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid","","CC(C(=O)O)SC1=CC(=O)C2=C(C=CC(=C2C1=O)O)Cl","HFVPFHIMWZJVRA-UHFFFAOYSA-N","360626",NA,"PDBC14656","622931","Present"
-"2-(5-Ethoxy-1-methylindol-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","(5-Ethoxy-1-methyl-1h-indol-3-yl)acetic acid","","CCOC1=CC2=C(C=C1)N(C=C2CC(=O)O)C","AAAVOJOKSKRJIV-UHFFFAOYSA-N","271557",NA,"PDBC14657","115148","Present"
-"2-(5-Ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamimidothioate;hydrobromide","","","","","","","","","","","","","","","","","","","","2-(5-Ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamimidothioate;hydrobromide","","CCC1(C(=O)NC(=O)NC1=O)CCSC(=N)N.Br","LZPGUALNGZSCPY-UHFFFAOYSA-N","5351614",NA,"PDBC14658","3737","Present"
-"2-(5-Ethyl-2-hydroxy-1H-indol-3-yl)indol-3-one","","","","","","","","","","","","","","","","","","","","2-(5-Ethyl-2-hydroxy-1H-indol-3-yl)indol-3-one","","CCC1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O","ZLCKEXXQMNVOOF-UHFFFAOYSA-N","403173",NA,"PDBC14659","717826","Present"
-"2-(5-Fluoro-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","5-fluoro-1-methyl-3-[6-(thiophen-2-yl)imidazo[2,1-b][1,3...","","CN1C=C(C2=C1C=CC(=C2)F)C3=NN4C=C(N=C4S3)C5=CC=CS5","FDTORYITBNUOFW-UHFFFAOYSA-N","155812485",NA,"PDBC14660","801609","Present"
-"2-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-methyl-3-oxo-3,6-dihydro-2H-pyran-4-yl benzoate","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-(3-O-benzoyl-4,6-didexy-.beta.-L-glycero-hex-...","","CC1C=C(C(=O)C(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C3=CC=CC=C3","HTDAJLUMYZCQFP-UHFFFAOYSA-N","363615",NA,"PDBC14661","628628","Present"
-"2-(5-Heptyl-2-thienyl)-5-[(4-pentyloxyphenyl)azo]-1,3,4-thiadiazole","","","","","","","","","","","","","","","","","","","","(e)-[5-(5-heptyl-2-thienyl)-1,3,4-thiadiazol-2-yl]-(4-pentoxyphenyl)diazene","","CCCCCCCC1=CC=C(S1)C2=NN=C(S2)N=NC3=CC=C(C=C3)OCCCCC","WETHFKBRBUWWDA-UHFFFAOYSA-N","397866",NA,"PDBC14662","706489","Present"
-"2-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole","","","","","","","","","","","","","","","","","","","","2-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole","","CC1=CSC(=N1)C2=CN(C3=C2C(=O)C(=CC3=O)OC)C","XAOBFMXDNXHENE-UHFFFAOYSA-N","392619",NA,"PDBC14663","693178","Present"
-"2-(5-Methoxy-1H-indol-3-yl)-2-oxo-N,N-di(2-propynyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(5-Methoxy-1H-indol-3-yl)-2-oxo-N,N-di(2-propynyl)acetamide","","COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)N(CC#C)CC#C","LNZRYGXFRSNOFT-UHFFFAOYSA-N","379848",NA,"PDBC14664","664980","Present"
-"2-(5-Methoxy-1H-indol-3-yl)-4-(1-methylpyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methy...","","CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)OC","OLWBPLIPPQKYOF-UHFFFAOYSA-N","155815586",NA,"PDBC14665","801589","Present"
-"2-(5-Methoxy-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrr...","","COC1=CC2=C(C=C1)NC=C2C3=NC(=CS3)C4=CNC5=C4C=NC=C5","GQYQNRCMKMJCHS-UHFFFAOYSA-N","155817123",NA,"PDBC14666","801588","Present"
-"2-(5-Methoxy-3-methylidenepentyl)-7-methylidenecycloheptan-1-one","","","","","","","","","","","","","","","","","","","","2-(5-Methoxy-3-methylene-pentyl)-7-methylene-cycloheptan-1-one","","COCCC(=C)CCC1CCCCC(=C)C1=O","QSKMJCZCFIEPHA-UHFFFAOYSA-N","393399",NA,"PDBC14667","695232","Present"
-"2-(5-Methoxyfuran-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(5-Methoxyfuran-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid","","COC1=CC=C(O1)C(=O)N2CCC3=C(C2C(=O)O)NC4=CC=CC=C34","GJCQLCYPRIGZBX-UHFFFAOYSA-N","372328",NA,"PDBC14668","647386","Present"
-"2-(5-Methyl-1-phenylpyrrol-2-yl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-(5-Methyl-1-phenylpyrrol-2-yl)naphthalene-1,4-dione","","CC1=CC=C(N1C2=CC=CC=C2)C3=CC(=O)C4=CC=CC=C4C3=O","IZOQJBJKRPHTKY-UHFFFAOYSA-N","358201",NA,"PDBC14669","618087","Present"
-"2-(5-Methyl-3-phenyl-2-thioxo-2,3-dihydro-thiazolo[4,5-d]pyrimidin-7-ylsulfanyl)-N-phenyl-acetamide","","","","","","","","","","","","","","","","","","","","2-(5-Methyl-3-phenyl-2-thioxo-2,3-dihydro-thiazolo[4,5-d]pyrimidin-7-ylsulfanyl)-N-phenyl-acetamide","","CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3)SC(=S)N2C4=CC=CC=C4","IGQGBPZIWJFXMC-UHFFFAOYSA-N","378702",NA,"PDBC14670","661807","Present"
-"2-(5-Methyl-7-oxo-1,7-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)ethyl formate","","","","","","","","","","","","","","","","","","","","2-(5-Methyl-7-oxo-1,7-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)ethyl formate","","CC1=C(C(=O)NC2=NN=CN12)CCOC=O","UXFZPOYYGDHIOU-UHFFFAOYSA-N","135409149",NA,"PDBC14671","660337","Present"
-"2-(5-Methylthiophen-2-yl)-2,3-dihydro-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","4(1H)-Quinazolinone, 2,3-dihydro-2-(5-methyl-2-thienyl)-","","CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2","SMZMLCNTHXBCBB-UHFFFAOYSA-N","300571",NA,"PDBC14672","175634","Present"
-"2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetonitrile","","C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC#N)[N+](=O)[O-]","HFVVAPGCEBYDEK-UHFFFAOYSA-N","357362",NA,"PDBC14673","615796","Present"
-"2-(5-Nitrofuran-2-yl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","2-(5-Nitro-2-furyl)prop-2-enamide","","C=C(C1=CC=C(O1)[N+](=O)[O-])C(=O)N","FHULNCMQMNBXDP-UHFFFAOYSA-N","381106",NA,"PDBC14674","667269","Present"
-"2-(5-Oxo-1,3-dithian-2-ylidene)malononitrile","","","","","","","","","","","","","","","","","","","","2-(5-Oxo-1,3-dithian-2-ylidene)malononitrile","","C1C(=O)CSC(=C(C#N)C#N)S1","XNITVWZEBDBRPI-UHFFFAOYSA-N","361886",NA,"PDBC14675","625231","Present"
-"2-(5-Oxo-3-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-(5-Oxo-3-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione","","C1CCC2C(C1)C(=O)N(C2=O)N3C(=NNC3=O)C4=CC=CC=C4","VDFUFYHSFSWOLQ-UHFFFAOYSA-N","387569",NA,"PDBC14676","681526","Present"
-"2-(5-Oxo-3-phenyl-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(5-Oxo-3-phenyl-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione","","C1C=CCC2C1C(=O)N(C2=O)N3C(=NNC3=O)C4=CC=CC=C4","GYYVITKSWGATRC-UHFFFAOYSA-N","387566",NA,"PDBC14677","681523","Present"
-"2-(5-Oxo-3-thioxo-1,2,4-triazolidine-1-carbothioyl)-5-thioxo-1,2,4-triazolidin-3-one","","","","","","","","","","","","","","","","","","","","2-(5-Oxo-3-thioxo-1,2,4-triazolidine-1-carbothioyl)-5-thioxo-1,2,4-triazolidin-3-one","","C1(=S)NC(=O)N(N1)C(=S)N2C(=O)NC(=S)N2","KPOGFKYTRZKZPY-UHFFFAOYSA-N","3004933",NA,"PDBC14678","663998","Present"
-"2-(5-Oxospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)sulfanyl-N-(phenylcarbamothioyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)sulfanyl-N-(phenylcarbamothioyl)acetamide","","C1=CC=C(C=C1)NC(=S)NC(=O)CSC2=NNC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2","WKQPDZXWJPFFBA-UHFFFAOYSA-N","135409131",NA,"PDBC14679","658731","Present"
-"2-(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide","","C=CCNC(=O)NC(=O)CSC1=NNC2(C3=CC=CC=C3C4=CC=CC=C42)C(=O)N1","PYZADTFBSKEEQL-UHFFFAOYSA-N","135409132",NA,"PDBC14680","658732","Present"
-"2-(5-Oxospiro[1H,4H-1,2,4-triazine-6,9'-fluorene]-3-ylthio)acetic acid","","","","","","","","","","","","","","","","","","","","2-(5-Oxospiro[1H,4H-1,2,4-triazine-6,9'-fluorene]-3-ylthio)acetic acid","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)SCC(=O)O","KHEZTLWXTCNROH-UHFFFAOYSA-N","135409128",NA,"PDBC14681","658723","Present"
-"2-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)acetic acid","","","","","","","","","","","","","","","","","","","","2-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)acetic acid","","C1C2=CN=C(N=C2C3=CC=CC=C3O1)NCC(=O)O","RMSPKWPKXGJZJG-UHFFFAOYSA-N","390580",NA,"PDBC14682","688103","Present"
-"2-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)propanoic acid","","","","","","","","","","","","","","","","","","","","2-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)propanoic acid","","CC(C(=O)O)NC1=NC=C2COC3=CC=CC=C3C2=N1","YLJJKDVWNYLTIE-UHFFFAOYSA-N","390581",NA,"PDBC14683","688104","Present"
-"2-(6,10-Dihydroxy-9-oxo-1,4-dihydrophenanthren-4a-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-(6,10-Dihydroxy-9-oxo-1,4-dihydrophenanthren-4a-yl)acetonitrile","","C1C=CCC2(C1=C(C(=O)C3=C2C=C(C=C3)O)O)CC#N","QRBGJLBYXBYXTK-UHFFFAOYSA-N","356236",NA,"PDBC14684","611389","Present"
-"2-(6,11-Dioxobenzo[b]acridin-12-yl)prop-2-enal","","","","","","","","","","","","","","","","","","","","Benz[b]acridine-12-acetaldehyde, 6,11-dihydro- .alpha.-m...","","C=C(C=O)C1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O","GDKOOOSGQUWYIV-UHFFFAOYSA-N","393103",NA,"PDBC14685","694489","Present"
-"2-(6,7-Dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)-N,N-dipropylacetamide","","","","","","","","","","","","","","","","","","","","2-(6,7-Dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)-N,N-dipropylacetamide","","CCCN(CCC)C(=O)CC1=C2C3=CC=CC=C3CCCN2C4=CC=CC=C41","HXVSILAMVOCHRQ-UHFFFAOYSA-N","374072",NA,"PDBC14686","651332","Present"
-"2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-N'-(1-methylethylidene)acetohydrazide","","","","","","","","","","","","","","","","","","","","2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-N'-(1-methylethylidene)acetohydrazide","","CC(=NNC(=O)CC1C2=CC(=C(C=C2CCN1)OC)OC)C","JDJNILZVYKNYDI-UHFFFAOYSA-N","371072",NA,"PDBC14687","645015","Present"
-"2-(6,7-Dimethoxy-2-naphthyl)acetamide","","","","","","","","","","","","","","","","","","","","D0W1O876TC","","COC1=C(C=C2C=C(C=CC2=C1)CC(=O)N)OC","ZRWDEFUPBAKUQP-UHFFFAOYSA-N","287282",NA,"PDBC14688","146866","Present"
-"2-(6,7-Dimethoxy-3,4-dihydro-2H-chromen-2-yl)-3,6-dimethoxyphenol","","","","","","","","","","","","","","","","","","","","2-(6,7-Dimethoxy-3,4-dihydro-2H-chromen-2-yl)-3,6-dimethoxyphenol","","COC1=C(C(=C(C=C1)OC)O)C2CCC3=CC(=C(C=C3O2)OC)OC","UDNQCVRRBUTQJN-UHFFFAOYSA-N","394140",NA,"PDBC14689","697367","Present"
-"2-(6-(Acetyloxy)-5-((acetyloxy)methyl)-2-hydroxy-2-(hydroxymethyl)-5,8a-dimethyldecahydro-1-naphthalenyl)-1-(2-oxo-2,5-dihydro-3-furanyl)ethyl acetate","","","","","","","","","","","","","","","","","","","","[2-Acetyloxy-5-[2-acetyloxy-2-(5-oxo-2H-furan-4-yl)ethyl]-6-hydroxy-6-(hydroxymethyl)-1,4a-dimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate","","CC(=O)OCC1(C2CCC(C(C2(CCC1OC(=O)C)C)CC(C3=CCOC3=O)OC(=O)C)(CO)O)C","YWSYBCBTKSOFEC-UHFFFAOYSA-N","363125",NA,"PDBC14690","627694","Present"
-"2-(6-(Benzyloxy)-2-methyl-9H-purin-9-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-(6-(Benzyloxy)-2-methyl-9H-purin-9-yl)ethanol","","CC1=NC2=C(C(=N1)OCC3=CC=CC=C3)N=CN2CCO","AJPNOIPDRJFMQI-UHFFFAOYSA-N","382625",NA,"PDBC14691","670266","Present"
-"2-(6-(Benzylthio)-9H-purin-9-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-(6-(Benzylthio)-9H-purin-9-yl)ethanol","","C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCO","GQBCTNNUQRHJDO-UHFFFAOYSA-N","244529",NA,"PDBC14692","55462","Present"
-"2-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol","","","","","","","","","","","","","","","","","","","","2-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol","","CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)C","WPDLZCMMCBSTQN-UHFFFAOYSA-N","381395",NA,"PDBC14693","667935","Present"
-"2-(6-Amino-2-prop-2-ynylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(6-Amino-2-prop-2-ynylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","C#CCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N","DOQVBNTWSDZPPA-UHFFFAOYSA-N","374642",NA,"PDBC14694","652621","Present"
-"2-(6-Amino-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium-1-yl)-1-phenylethanone;bromide","","","","","","","","","","","","","","","","","","","","6-Amino-3-methyl-1-(2-oxo-2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium bromide","","CC1=N[N+](=C2N1N=C(S2)N)CC(=O)C3=CC=CC=C3.[Br-]","ORYLDJXPKYLYMY-UHFFFAOYSA-M","383484",NA,"PDBC14695","671874","Present"
-"2-(6-Amino-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-4-ium-2-yl)-1-phenylethanone;bromide","","","","","","","","","","","","","","","","","","","","2-(6-Amino-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-4-ium-2-yl)-1-phenylethanone;bromide","","CC1=[N+]2C(=NN1CC(=O)C3=CC=CC=C3)SC(=N2)N.[Br-]","SMWHUMJQCMGTEO-UHFFFAOYSA-M","383486",NA,"PDBC14696","671875","Present"
-"2-(6-Amino-8-phenyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(6-Amino-8-phenyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","C1=CC=C(C=C1)C2=NC3=C(N=CN=C3N2C4C(C(C(O4)CO)O)O)N","VPKLCUYVISQZJY-UHFFFAOYSA-N","336708",NA,"PDBC14697","351730","Present"
-"2-(6-Amino-8-prop-2-enylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(6-Amino-8-prop-2-enylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","C=CCSC1=NC2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N","ZATIFJKJPWWYAJ-UHFFFAOYSA-N","282735",NA,"PDBC14698","136563","Present"
-"2-(6-Amino-9H-purin-9-yl)-5-((4-chlorobenzylthio)methyl)tetrahydrofuran-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(6-amino-9H-purin-9-yl)-5-((4-chlorobenzylthio)methyl)...","","C1=CC(=CC=C1CSCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)Cl","IJLUIMSYWGUZCP-UHFFFAOYSA-N","359468",NA,"PDBC14699","620333","Present"
-"2-(6-Aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(6-Aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol","","CC1C(C(C(O1)(CO)N2C=NC3=C(N=CN=C32)N)O)O","KFCSMTRZGREXSN-UHFFFAOYSA-N","360271",NA,"PDBC14700","622296","Present"
-"2-(6-Aminopurin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol","","","","","","","","","","","","","","","","","","","","2-(6-Aminopurin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol","","C1=C(C(C(C1O)N2C=NC3=C(N=CN=C32)N)O)CO","QTTPSWNJDDVBIP-UHFFFAOYSA-N","363221",NA,"PDBC14701","627962","Present"
-"2-(6-Aminopurin-9-yl)-5-(heptylsulfanylmethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(6-Aminopurin-9-yl)-5-(heptylsulfanylmethyl)oxolane-3,4-diol","","CCCCCCCSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O","HMECIBOATAUFOB-UHFFFAOYSA-N","360632",NA,"PDBC14702","622938","Present"
-"2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3-ol","","C1=C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO","SXGNBHGKRKMCRE-UHFFFAOYSA-N","354916",NA,"PDBC14703","607634","Present"
-"2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","ara-a///.alpha.-D-Arabinofuranosyladenine///xylosyl a","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N","OIRDTQYFTABQOQ-UHFFFAOYSA-N","191",NA,"PDBC14704","404241///70422///7359","Present"
-"2-(6-Aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(6-Aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-3,4-diol","","CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O","CJOSHSDHCPNMOJ-UHFFFAOYSA-N","357469",NA,"PDBC14705","616354","Present"
-"2-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol","","","","","","","","","","","","","","","","","","","","2-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol","","CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)O","BEOMZXKHEQYFOO-UHFFFAOYSA-N","381394",NA,"PDBC14706","667934","Present"
-"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-(3,6-dichloro-2-methoxybenzoyl)benzohydrazide","","","","","","","","","","","","","","","","","","","","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-(3,6-dichloro-2-methoxybenzoyl)benzohydrazide","","COC1=C(C=CC(=C1C(=O)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5)Cl)Cl","JUQJBAYEXFXAGW-UHFFFAOYSA-N","402240",NA,"PDBC14707","716131","Present"
-"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[(E)-1-cyano-4-phenylbut-3-enyl]benzohydrazide","","","","","","","","","","","","","","","","","","","","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[(E)-1-cyano-4-phenylbut-3-enyl]benzohydrazide","","C1=CC=C(C=C1)C=CCC(C#N)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5","PWLUUNVMLOMYJW-JXMROGBWSA-N","5472042",NA,"PDBC14708","716139","Present"
-"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano(phenyl)methyl]benzohydrazide","","","","","","","","","","","","","","","","","","","","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano(phenyl)methyl]benzohydrazide","","C1=CC=C(C=C1)C(C#N)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5","WWOMXROAPKVBFF-UHFFFAOYSA-N","402247",NA,"PDBC14709","716138","Present"
-"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano-(2-hydroxy-3-methoxyphenyl)methyl]benzohydrazide","","","","","","","","","","","","","","","","","","","","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano-(2-hydroxy-3-methoxyphenyl)methyl]benzohydrazide","","COC1=CC=CC(=C1O)C(C#N)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5","DFVDEGIQZWAOQF-UHFFFAOYSA-N","402249",NA,"PDBC14710","716140","Present"
-"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano-(3-phenoxyphenyl)methyl]benzohydrazide","","","","","","","","","","","","","","","","","","","","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano-(3-phenoxyphenyl)methyl]benzohydrazide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)NNC(C#N)C5=CC(=CC=C5)OC6=CC=CC=C6","NTWDPASAZAVQFQ-UHFFFAOYSA-N","402250",NA,"PDBC14711","716141","Present"
-"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(furan-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(furan-2-yl)benzamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)NC5=CC=CO5","BZAWPKMWYPQOSN-UHFFFAOYSA-N","402231",NA,"PDBC14712","716122","Present"
-"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide","","","","","","","","","","","","","","","","","","","","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)NN=CC5=CC=C(C=C5)Cl","UUCNFXPTEGQNOG-RPUDKEGQSA-N","9572426",NA,"PDBC14713","716125","Present"
-"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide","","","","","","","","","","","","","","","","","","","","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide","","COC1=C(C=CC(=C1)C=NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5)O","KHXFFQYVLYBREG-RPUDKEGQSA-N","135436247",NA,"PDBC14714","716127","Present"
-"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide","","","","","","","","","","","","","","","","","","","","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide","","C1=CC=C(C=C1)C=CC=NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5","DUOWFWGMDCQIOW-GKSPGJBZSA-N","54611796",NA,"PDBC14715","716126","Present"
-"2-(6-Benzoyl-1H-benzimidazol-2-yl)-N-[(E)-benzylideneamino]-3,4,5,6-tetrachlorobenzamide","","","","","","","","","","","","","","","","","","","","2-(6-Benzoyl-1H-benzimidazol-2-yl)-N-[(E)-benzylideneamino]-3,4,5,6-tetrachlorobenzamide","","C1=CC=C(C=C1)C=NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5","HJMZQCZQXSFYGK-ZHSUKTGHSA-N","54611795",NA,"PDBC14716","716124","Present"
-"2-(6-Bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)thiazole","","","","","","","","","","","","","","","","","","","","2-(6-bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)thiazole","","C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=C4C=CC(=C5)Br","PDEHLQUHOVEXKO-UHFFFAOYSA-N","396208",NA,"PDBC14717","701760","Present"
-"2-(6-Bromo-2-chloroquinolin-3-yl)-2-(2,6-dichloroanilino)acetamide","","","","","","","","","","","","","","","","","","","","2-(6-Bromo-2-chloroquinolin-3-yl)-2-[(2,6-dichlorophenyl)amino]acetamide","","C1=CC(=C(C(=C1)Cl)NC(C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C(=O)N)Cl","HNCJGHGTASMJKG-UHFFFAOYSA-N","402331",NA,"PDBC14718","716222","Present"
-"2-(6-Bromo-2-chloroquinolin-3-yl)-2-(4-chloroanilino)acetamide","","","","","","","","","","","","","","","","","","","","2-(6-Bromo-2-chloroquinolin-3-yl)-2-[(4-chlorophenyl)amino]acetamide","","C1=CC(=CC=C1NC(C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C(=O)N)Cl","BUWSJBWYFOANLT-UHFFFAOYSA-N","402330",NA,"PDBC14719","716221","Present"
-"2-(6-Bromo-2-chloroquinolin-3-yl)-2-(4-methoxyanilino)acetamide","","","","","","","","","","","","","","","","","","","","2-(6-Bromo-2-chloroquinolin-3-yl)-2-[(4-methoxyphenyl)amino]acetamide","","COC1=CC=C(C=C1)NC(C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C(=O)N","SXCPLXQGYVPSRQ-UHFFFAOYSA-N","402332",NA,"PDBC14720","716223","Present"
-"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(6-Bromo-2-chloroquinolin-3-yl)-3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C4=CC(=C(C=C4)F)Cl","XRPOUCNBBAMVSF-UHFFFAOYSA-N","402323",NA,"PDBC14721","716214","Present"
-"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C4=CC=C(C=C4)Cl","ATFZXCWMQLCGGK-UHFFFAOYSA-N","402322",NA,"PDBC14722","716213","Present"
-"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC=C(C=C1)N2C(SCC2=O)C3=C(N=C4C=CC(=CC4=C3)Br)Cl","FLFFTIRHZYQPQA-UHFFFAOYSA-N","402325",NA,"PDBC14723","716216","Present"
-"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one","","CC1C(=O)N(C(S1)C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C4=CC=C(C=C4)OC","IKEVIXYUMOJOEZ-UHFFFAOYSA-N","402326",NA,"PDBC14724","716217","Present"
-"2-(6-Bromo-3,5-dioxo-1,2,4-triazin-2-yl)ethoxymethylphosphonic acid","","","","","","","","","","","","","","","","","","","","{[2-(6-Bromo-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)ethoxy]methyl}phosphonic acid","","C(COCP(=O)(O)O)N1C(=O)NC(=O)C(=N1)Br","IHXCNTCVFSJECE-UHFFFAOYSA-N","386542",NA,"PDBC14725","678974","Present"
-"2-(6-Chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(6-Chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetamide","","CC1C(=O)N(C2(S1)CCCCC2)NC(=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=O)N3C5=CC=CC=C5","DWQWHSNPQNPDIS-UHFFFAOYSA-N","399569",NA,"PDBC14726","710443","Present"
-"2-(6-Chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide","","","","","","","","","","","","","","","","","","","","2-(6-Chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide","","C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)N=NC4=C(NC5=C4C=C(C=C5)F)O","GTXLILOAEDNYNZ-UHFFFAOYSA-N","403592",NA,"PDBC14727","718645","Present"
-"2-(6-Chloropyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-(6-Chloropyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile","","CN1C2=CC=CC=C2N=C1C(C#N)C3=CC(=NC=N3)Cl","SYJJNVLMYRRKKW-UHFFFAOYSA-N","395226",NA,"PDBC14728","699701","Present"
-"2-(6-Chloropyrimidin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-(6-Chloropyrimidin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile","","C1=CC2=C(C=C1C(F)(F)F)N=C(S2)C(C#N)C3=CC(=NC=N3)Cl","BUPSBGZRGFBBNA-UHFFFAOYSA-N","395225",NA,"PDBC14729","699700","Present"
-"2-(6-Fluoro-2-phenylquinolin-4-yl)oxyacetic acid","","","","","","","","","","","","","","","","","","","","[(6-Fluoro-2-phenylquinolin-4-yl)oxy]acetic acid","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)OCC(=O)O","JZNLCJDRTMFKNG-UHFFFAOYSA-N","384483",NA,"PDBC14730","674288","Present"
-"2-(6-Formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzoic acid","","","","","","","","","","","","","","","","","","","","2-(6-Formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzoic acid","","COC1=C(C(=C(C(=C1)C(=O)O)C2=CC3=C(C=C2C=O)OCO3)OC)OC","OQSXWPNAXDUXCF-UHFFFAOYSA-N","372306",NA,"PDBC14731","647365","Present"
-"2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic...","","C1CCC(C(C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O","HXOZFLYYEKBTMP-UHFFFAOYSA-N","274107",NA,"PDBC14732","119892","Present"
-"2-(6-Imino-1-isonicotinoyl-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)phenol","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(2-hydroxyphen...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)C4=CC=NC=C4","WEFZPWLBUZACTA-UHFFFAOYSA-N","376861",NA,"PDBC14733","657980","Present"
-"2-(6-Imino-3-methyl-1-(phenylacetyl)-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-1-naphthol","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl 4-(1-hy...","","CC1=NN(C2=C1C(SC(=N2)N)C3=C(C4=CC=CC=C4C=C3)O)C(=O)CC5=CC=CC=C5","VRZRQCHRPCGIAL-UHFFFAOYSA-N","376467",NA,"PDBC14734","657381","Present"
-"2-(6-Methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","2-(6-Methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole","","CC1(COC(=N1)C2=CC3=C(C=C2OC)OCO3)C","WWFOQUDTWGZDKO-UHFFFAOYSA-N","370793",NA,"PDBC14735","644315","Present"
-"2-(6-Methoxy-2-methylquinolin-4-ylthio)benzo[d]thiazole","","","","","","","","","","","","","","","","","","","","2-(6-Methoxy-2-methylquinolin-4-ylthio)benzo[d]thiazole","","CC1=CC(=C2C=C(C=CC2=N1)OC)SC3=NC4=CC=CC=C4S3","PGWZWDHGBCTCBR-UHFFFAOYSA-N","224687",NA,"PDBC14736","13380","Present"
-"2-(6-Methoxy-2-naphthyl)-1-(2,3,4,5-tetrafluorophenyl)-1-propanol","","","","","","","","","","","","","","","","","","","","2-(6-Methoxy-2-naphthyl)-1-(2,3,4,5-tetrafluorophenyl)-1-propanol","","CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(C3=CC(=C(C(=C3F)F)F)F)O","DHLOUZZUEJCHDZ-UHFFFAOYSA-N","376271",NA,"PDBC14737","656978","Present"
-"2-(6-Methoxy-2-phenylquinolin-4-yl)oxyacetic acid","","","","","","","","","","","","","","","","","","","","[(6-Methoxy-2-phenylquinolin-4-yl)oxy]acetic acid","","COC1=CC2=C(C=C1)N=C(C=C2OCC(=O)O)C3=CC=CC=C3","LHTCWLOFQJDXMA-UHFFFAOYSA-N","384482",NA,"PDBC14738","674287","Present"
-"2-(6-Methoxy-7,8,9,10-tetrahydrobenzo[b]phenazin-8-yl)-2-propanol","","","","","","","","","","","","","","","","","","","","2-(6-Methoxy-7,8,9,10-tetrahydrobenzo[b]phenazin-8-yl)-2-propanol","","CC(C)(C1CCC2=CC3=NC4=CC=CC=C4N=C3C(=C2C1)OC)O","HKXZZWKLKPMEMP-UHFFFAOYSA-N","372189",NA,"PDBC14739","647139","Present"
-"2-(6-Methoxyquinolin-4-yl)sulfanylacetic acid","","","","","","","","","","","","","","","","","","","","[(6-Methoxyquinolin-4-yl)sulfanyl]acetic acid","","COC1=CC2=C(C=CN=C2C=C1)SCC(=O)O","ONLXPKBWQNEVFR-UHFFFAOYSA-N","224792",NA,"PDBC14740","13581","Present"
-"2-(6-Methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)-1,2,4-triazine-3,5(2H,4H)-dione","","","","","","","","","","","","","","","","","","","","NSC638123///NSC638124","","CC1C(=O)C=CC(O1)N2C(=O)NC(=O)C=N2","MVJZWNKCNLNGCU-UHFFFAOYSA-N","367925",NA,"PDBC14741","638123///638124","Present"
-"2-(6-Nitro-1,3-benzoxazol-2-yl)benzo[f]chromen-3-one","","","","","","","","","","","","","","","","","","","","2-(6-Nitro-1,3-benzoxazol-2-yl)benzo[f]chromen-3-one","","C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-]","MWMYIGRFPFYXAS-UHFFFAOYSA-N","395988",NA,"PDBC14742","701112","Present"
-"2-(6-Oxo-3,4-diphenyl-1H-pyridazin-5-yl)-4-phenyl-phthalazin-1-one","","","","","","","","","","","","","","","","","","","","2-(6-Oxo-3,4-diphenyl-1H-pyridazin-5-yl)-4-phenyl-phthalazin-1-one","","C1=CC=C(C=C1)C2=C(C(=O)NN=C2C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6","DZVUUSBGIKMWSG-UHFFFAOYSA-N","368759",NA,"PDBC14743","639913","Present"
-"2-(6-Phenanthridinylthio)-1-phenylethanone","","","","","","","","","","","","","","","","","","","","2-(phenanthridin-6-ylthio)-1-phenylethanone","","C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C4=CC=CC=C42","QRANKYBGAVSGHQ-UHFFFAOYSA-N","264067",NA,"PDBC14744","98905","Present"
-"2-(6H-Isoindolo[2,1-a]indol-11-yl)-N,N-dipropylacetamide","","","","","","","","","","","","","","","","","","","","2-(6H-Isoindolo[2,1-a]indol-11-yl)-N,N-dipropylacetamide","","CCCN(CCC)C(=O)CC1=C2C3=CC=CC=C3CN2C4=CC=CC=C41","RJCFRGFOEOYKJE-UHFFFAOYSA-N","374074",NA,"PDBC14745","651334","Present"
-"2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol","","","","","","","","","","","","","","","","","","","","2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol","","CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)N5CCCC5","CRSJWEZUGYNWDK-UHFFFAOYSA-N","146599",NA,"PDBC14746","375505","Present"
-"2-(7,8-Dihydro-7-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol","","","","","","","","","","","","","","","","","","","","6H-1,3-Dioxolo[4,5-g][1]benzopyran, 7,8-dihydro- 8-(2-hy...","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)O","HRGWMGTYIRQYMO-UHFFFAOYSA-N","146600",NA,"PDBC14747","375503","Present"
-"2-(7,8-Dimethoxyquinolin-5-yl)aniline","","","","","","","","","","","","","","","","","","","","2-(7,8-Dimethoxyquinolin-5-yl)aniline","","COC1=C(C2=C(C=CC=N2)C(=C1)C3=CC=CC=C3N)OC","FKNKLZDYUOKWOD-UHFFFAOYSA-N","403398",NA,"PDBC14748","718199","Present"
-"2-(7-(Acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate","","","","","","","","","","","","","","","","","","","","2-(7-(Acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate","","CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3OC(=O)C","VIPZXQZPGCJBAE-UHFFFAOYSA-N","384027",NA,"PDBC14749","673137","Present"
-"2-(7-Amino-[1,2]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","Isothiazolo[4,5-d]pyrimidin-7-amine,3-(.beta.-D-ribofura...///NSC675866","","C1=NC2=C(C(=N1)N)SN=C2C3C(C(C(O3)CO)O)O","YGFGQYZYMXRMTP-UHFFFAOYSA-N","385012",NA,"PDBC14750","675865///675866","Present"
-"2-(7-Aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-.beta.-D-ri...","","C1=NC2=NN(N=C2C(=N1)N)C3C(C(C(O3)CO)O)O","RDPTWPVOUPSVOZ-UHFFFAOYSA-N","280898",NA,"PDBC14751","133118","Present"
-"2-(7-Ethyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol","","","","","","","","","","","","","","","","","","","","2-(7-Ethyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol","","CCC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)O","UWMPNVWZHCIJMI-UHFFFAOYSA-N","380574",NA,"PDBC14752","666224","Present"
-"2-(7-Ethyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(7-Ethyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CCC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=CC=C5O","MPGWMGUALYVDAX-UHFFFAOYSA-N","381380",NA,"PDBC14753","667920","Present"
-"2-(7-Ethylsulfanyl-[1,2]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(7-Ethylsulfanylisothiazolo[5,4-e]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol","","CCSC1=NC=NC2=C1SN=C2C3C(C(C(O3)CO)O)O","HQOVFJJHZKZBQH-UHFFFAOYSA-N","388276",NA,"PDBC14754","682917","Present"
-"2-(7-Fluoro-2-phenylquinolin-4-yl)oxyacetic acid","","","","","","","","","","","","","","","","","","","","AP751","","C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)F)C(=C2)OCC(=O)O","VZGFJRSZCSKGEZ-UHFFFAOYSA-N","384481",NA,"PDBC14755","674286","Present"
-"2-(7-Methyl-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene)propanedinitrile","","","","","","","","","","","","","","","","","","","","(7-Methyl-1,1-dioxido-3,4-dihydro-1-benzothiepin-5(2h)-ylidene)propanedinitrile","","CC1=CC2=C(C=C1)S(=O)(=O)CCCC2=C(C#N)C#N","UEMFAGZEZRXPIU-UHFFFAOYSA-N","391879",NA,"PDBC14756","691560","Present"
-"2-(7-Methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(7-Methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC=CC=C5O","JKQJZONEAFJYTO-UHFFFAOYSA-N","381372",NA,"PDBC14757","667912","Present"
-"2-(7-Methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro-6H-[1,3]d...","","CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC=CC=C5O","BBXMIJIOSXULBG-UHFFFAOYSA-N","381373",NA,"PDBC14758","667913","Present"
-"2-(7-Methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2-(7-Methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=CC=C5O","NSLCFWHFZKDOKC-UHFFFAOYSA-N","381379",NA,"PDBC14759","667919","Present"
-"2-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea","","CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","SERDXPHPXCGFFY-UHFFFAOYSA-N","381392",NA,"PDBC14760","667932","Present"
-"2-(7-Oxobenzo[a]phenalen-3-yl)sulfinylacetic acid","","","","","","","","","","","","","","","","","","","","2-(7-Oxo-7H-benzo[de]anthracen-3-ylsulfinyl)acetic acid","","C1=CC=C2C(=C1)C3=C4C(=C(C=C3)S(=O)CC(=O)O)C=CC=C4C2=O","WUJCZHVABXHBKL-UHFFFAOYSA-N","226105",NA,"PDBC14761","16211","Present"
-"2-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","[[8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea","","CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=C(C(=CC=C4)OC)OC","DNRVDUVKNOJDLE-UHFFFAOYSA-N","381362",NA,"PDBC14762","667902","Present"
-"2-(8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","[[8-(2-Hydroxy-3-methoxy-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea","","CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=C(C(=CC=C4)OC)O","JAONDLJNKHLARC-UHFFFAOYSA-N","381393",NA,"PDBC14763","667933","Present"
-"2-(8-(2-Hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","2-(8-(2-Hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide","","CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC=CC=C4O","ICISIXUOSAGJCL-UHFFFAOYSA-N","381375",NA,"PDBC14764","667915","Present"
-"2-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","2-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide","","CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC=C(C=C4)OC","GLLWVTQEQLAITJ-UHFFFAOYSA-N","381371",NA,"PDBC14765","667911","Present"
-"2-(8-Amino-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl)-1-(2,4-dihydroxy-phenyl)-ethanone","","","","","","","","","","","","","","","","","","","","2-(8-Amino-3-methyl-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl)-1-(2,4-dihydroxyphenyl)ethanone","","CC1=NN=C2N1N=C(CN2N)CC(=O)C3=C(C=C(C=C3)O)O","WORXQTWCHRUKRH-UHFFFAOYSA-N","366784",NA,"PDBC14766","635558","Present"
-"2-(8-Chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-phenylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-(8-Chloro-5,5-dioxidoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-phenylquinazolin-4(3h)-one","","C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4Cl)SC6=NC=CN6S5(=O)=O","DFXHJVORRVSVOW-UHFFFAOYSA-N","403252",NA,"PDBC14767","717953","Present"
-"2-(8-Chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-4,4-dioxo-5-phenyl-3,4lambda6,1,5-benzoxathiadiazocin-6-one","","","","","","","","","","","","","","","","","","","","2-(8-Chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-4,4-dioxo-5-phenyl-3,4lambda6,1,5-benzoxathiadiazocin-6-one","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C(OS2(=O)=O)C4=CC5=C(C=C4Cl)SC6=NC=CN6S5(=O)=O","IRGOTCAVWNXMMS-UHFFFAOYSA-N","403253",NA,"PDBC14768","717954","Present"
-"2-(8-Cyano-6,7-dimethyl-2,4-dioxo-1H-quinolin-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(8-Cyano-6,7-dimethyl-2,4-dioxo-1H-quinolin-3-yl)acetic acid","","CC1=CC2=C(C(=C1C)C#N)NC(=O)C(C2=O)CC(=O)O","GJRXXLZIFCPFTM-UHFFFAOYSA-N","360074",NA,"PDBC14769","621872","Present"
-"2-(8-Oxo-2,2-diphenyl-1,3,6,2-oxadiazastannocan-3-yl)acetic acid","","","","","","","","","","","","","","","","","","","","2-(8-Oxo-2,2-diphenyl-1,3,6,2-oxadiazastannocan-3-yl)acetic acid","","","","",NA,"PDBC14770","633507","Present"
-"2-(8-ethoxy-4-oxo-tetralin-5-yl)oxyacetic acid","","","","","","","","","","","","","","","","","","","","2-(8-ethoxy-4-oxo-tetralin-5-yl)oxyacetic acid","","CCOC1=C2CCCC(=O)C2=C(C=C1)OCC(=O)O","GJJGNXMUEGVGHL-UHFFFAOYSA-N","361618",NA,"PDBC14771","624803","Present"
-"2-(9,10-Dimethoxy-10-thiophen-2-ylanthracen-9-yl)thiophene","","","","","","","","","","","","","","","","","","","","2-(9,10-Dimethoxy-10-thien-2-yl-9,10-dihydroanthracen-9-yl)thiophene","","COC1(C2=CC=CC=C2C(C3=CC=CC=C31)(C4=CC=CS4)OC)C5=CC=CS5","WKMBKZUTQOMRRY-UHFFFAOYSA-N","402492",NA,"PDBC14772","716518","Present"
-"2-(9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)-N-cyclohexylacetamide","","","","","","","","","","","","","","","","","","","","2-(9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)-N-cyclohexylacetamide","","C1CCC(CC1)NC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","JDKVNGJJWPSNIS-UHFFFAOYSA-N","394888",NA,"PDBC14773","698979","Present"
-"2-(9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-(9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)-N-phenylacetamide","","C1=CC=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","LSEGQYZOWBFXQE-UHFFFAOYSA-N","394885",NA,"PDBC14774","698976","Present"
-"2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-1-morpholino-ethanone","","","","","","","","","","","","","","","","","","","","2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-1-morpholino-ethanone","","C1COCCN1C(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","FQVUGYLZHUQASQ-UHFFFAOYSA-N","394886",NA,"PDBC14775","698977","Present"
-"2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-N-butyl-acetamide","","","","","","","","","","","","","","","","","","","","2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-N-butyl-acetamide","","CCCCNC(=O)CN1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31","RYJAEHATAJTDGH-UHFFFAOYSA-N","394884",NA,"PDBC14776","698975","Present"
-"2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetohydrazide","","C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)CC(=O)NN","UZPDJKAJPWLMRR-UHFFFAOYSA-N","394889",NA,"PDBC14777","698980","Present"
-"2-(9-Diethylamino-7H-benzo[a]phenazin-5-ylidene)-malononitrile","","","","","","","","","","","","","","","","","","","","2-(9-Diethylamino-7H-benzo[a]phenazin-5-ylidene)-malononitrile","","CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=C(C#N)C#N)C=C3N2","KQBJTVLRHKGHJQ-UHFFFAOYSA-N","364895",NA,"PDBC14778","631723","Present"
-"2-(9-Fluorenylamino)-2-oxazoline","","","","","","","","","","","","","","","","","","","","LS-69181","","C1COC(=N1)NC2C3=CC=CC=C3C4=CC=CC=C24","YXWWPDIUHXAGNG-UHFFFAOYSA-N","58254",NA,"PDBC14779","664278","Present"
-"2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate","","","","","","","","","","","","","","","","","","","","2-[(9-Methylpentadecan-7-yl)amino]ethyl 4-nitrobenzoate","","CCCCCCC(C)CC(CCCCCC)NCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]","RHMQUCJFHNCQBF-UHFFFAOYSA-N","274793",NA,"PDBC14780","121073","Present"
-"2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate;hydrochloride","","CCCCCCC(C)CC(CCCCCC)NCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl","FVFWVEMTLBWZHH-UHFFFAOYSA-N","24191363",NA,"PDBC14781","121129","Present"
-"2-(9-Octadecenyl)-2-imidazoline-1-ethanol","","","","","","","","","","","","","","","","","","","","2-(9-Octadecenyl)-2-imidazoline-1-ethanol","","CCCCCCCCC=CCCCCCCCCC1=NCCN1CCO","XRRROBQIQXHHHV-MDZDMXLPSA-N","5382359",NA,"PDBC14782","138144","Present"
-"2-(9-Oxo-9H-fluoren-2-ylcarbamoyl)terephthalic acid","","","","","","","","","","","","","","","","","","","","2-(9-oxo-9H-fluoren-2-ylcarbamoyl)terephthalic acid","","C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)NC(=O)C4=C(C=CC(=C4)C(=O)O)C(=O)O","XJQUOXCWJVHGIN-UHFFFAOYSA-N","54609759",NA,"PDBC14783","73100","Present"
-"2-(9H-Fluoren-2-ylcarbonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","Cambridge id 5136840","","C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)O","BKERUEGGSAZGGP-UHFFFAOYSA-N","253806",NA,"PDBC14784","77053","Present"
-"2-(9H-Fluoren-9-yl)butanedioic acid","","","","","","","","","","","","","","","","","","","","Fluorene-9-succinic acid","","C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(CC(=O)O)C(=O)O","HGTCLOVEROWTJE-UHFFFAOYSA-N","225970",NA,"PDBC14785","15889","Present"
-"2-(9H-Purin-6-ylamino)butanoic acid","","","","","","","","","","","","","","","","","","","","2-(9H-Purin-6-ylamino)butanoic acid","","CCC(C(=O)O)NC1=NC=NC2=C1NC=N2","IOLOZCGDTQDPRH-UHFFFAOYSA-N","4075199",NA,"PDBC14786","42414","Present"
-"2-(9H-Xanthen-9-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(9H-Xanthen-9-yl)benzoic acid","","C1=CC=C(C(=C1)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)O","YGCDXTJHFGXNKJ-UHFFFAOYSA-N","231690",NA,"PDBC14787","28311","Present"
-"2-(Acetylamino)-5-amino-N-benzylpentanamide","","","","","","","","","","","","","","","","","","","","MCS-654","","CC(=O)NC(CCCN)C(=O)NCC1=CC=CC=C1","RFRQCYKTWGWCAI-UHFFFAOYSA-N","370430",NA,"PDBC14788","643526","Present"
-"2-(Acetylamino)-6-(((allylamino)carbonyl)(benzyl)amino)-N-benzylhexanamide","","","","","","","","","","","","","","","","","","","","2-(Acetylamino)-6-(((allylamino)carbonyl)(benzyl)amino)-N-benzylhexanamide","","CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)NCC=C)C(=O)NCC2=CC=CC=C2","MNSIYGIZHFFCKM-UHFFFAOYSA-N","370691",NA,"PDBC14789","644078","Present"
-"2-(Acetylamino)-6-(((allylamino)carbonyl)(propyl)amino)-N-benzylhexanamide","","","","","","","","","","","","","","","","","","","","2-(Acetylamino)-6-(((allylamino)carbonyl)(propyl)amino)-N-benzylhexanamide","","CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCC=C","NEARHTGMTMCMPP-UHFFFAOYSA-N","370690",NA,"PDBC14790","644077","Present"
-"2-(Acetylamino)-6-amino-N-benzylhexanamide","","","","","","","","","","","","","","","","","","","","MCS-657","","CC(=O)NC(CCCCN)C(=O)NCC1=CC=CC=C1","YPNZVOZZUZERMK-UHFFFAOYSA-N","370433",NA,"PDBC14791","643529","Present"
-"2-(Acetylamino)-N-(1-benzyl-2-(1-pyrrolidinyl)-2-thioxoethyl)-4-methylpentanamide","","","","","","","","","","","","","","","","","","","","2-(Acetylamino)-N-(1-benzyl-2-(1-pyrrolidinyl)-2-thioxoethyl)-4-methylpentanamide","","CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=S)N2CCCC2)NC(=O)C","CSAAUMYWSFRJKT-UHFFFAOYSA-N","370703",NA,"PDBC14792","644200","Present"
-"2-(Acetylamino)-N-(2-((2-amino-2-oxoethyl)amino)-1-(4-hydroxybenzyl)-2-oxoethyl)-3-hydroxypropanamide","","","","","","","","","","","","","","","","","","","","2-[(2-Acetamido-3-hydroxypropanoyl)amino]-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide","","CC(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)N","QRVPPAUECWYUST-UHFFFAOYSA-N","381737",NA,"PDBC14793","668597","Present"
-"2-(Acetylamino)-N~5~-methyl-N~1~-(2-((4-(methylamino)-1-((methylamino)carbonyl)-4-oxobutyl)amino)-2-oxo-1-(4-((6-oxoheptanoyl)amino)benzyl)ethyl)pentanediamide","","","","","","","","","","","","","","","","","","","","2-Acetamido-N-[1-[[1,5-bis(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxo-3-[4-(6-oxoheptanoylamino)phenyl]propan-2-yl]-N'-methylpentanediamide","","CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)NC)C(=O)NC)NC(=O)C(CCC(=O)NC)NC(=O)C","AALIKFBPOVQHLJ-UHFFFAOYSA-N","382202",NA,"PDBC14794","669662","Present"
-"2-(Acetylmethylene)benzimidazoline","","","","","","","","","","","","","","","","","","","","2-(Acetylmethylene)benzimidazoline","","CC(=CC1=NC2=CC=CC=C2N1)O","MICVAHFWWGJXHK-SREVYHEPSA-N","135467660",NA,"PDBC14795","645062","Present"
-"2-(Acetyloxy)-4-(2-oxo-2H-chromen-3-yl)phenyl acetate","","","","","","","","","","","","","","","","","","","","2-(Acetyloxy)-4-(2-oxo-2H-chromen-3-yl)phenyl acetate","","CC(=O)OC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)OC(=O)C","ANTJASBOBCTXBJ-UHFFFAOYSA-N","384022",NA,"PDBC14796","673132","Present"
-"2-(Acetyloxy)-4-(7-(acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate","","","","","","","","","","","","","","","","","","","","2-(Acetyloxy)-4-(7-(acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate","","CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC(=C(C=C3)OC(=O)C)OC(=O)C","ULRQFLGALCNVPB-UHFFFAOYSA-N","384023",NA,"PDBC14797","673133","Present"
-"2-(Acetyloxy)-5-(dichloro(phenyl)stannyl)pentyl acetate","","","","","","","","","","","","","","","","","","","","2-(Acetyloxy)-5-(dichloro(phenyl)stannyl)pentyl acetate","","CC(=O)OCC(CCC[Sn](C1=CC=CC=C1)(Cl)Cl)OC(=O)C","VATRJNXLYIAHPC-UHFFFAOYSA-L","363588",NA,"PDBC14798","628584","Present"
-"2-(Acridin-9-ylamino)-3-methyl-butyric acid","","","","","","","","","","","","","","","","","","","","N-acridin-9-ylvaline","","CC(C)C(C(=O)O)NC1=C2C=CC=CC2=NC3=CC=CC=C31","ALCXLRWSCMWMET-UHFFFAOYSA-N","363150",NA,"PDBC14799","627734","Present"
-"2-(Acridin-9-ylamino)-5-guanidino-pentanoic acid","","","","","","","","","","","","","","","","","","","","2-(Acridin-9-ylamino)-5-guanidino-pentanoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CCCN=C(N)N)C(=O)O","ZGDSAZAHLPCXAT-UHFFFAOYSA-N","363147",NA,"PDBC14800","627731","Present"
-"2-(Acridin-9-ylmethylamino)-5-guanidino-pentanoic acid","","","","","","","","","","","","","","","","","","","","2-(Acridin-9-ylmethylamino)-5-guanidino-pentanoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC(CCCN=C(N)N)C(=O)O","FVMRGTYRGOCMEN-UHFFFAOYSA-N","363151",NA,"PDBC14801","627736","Present"
-"2-(Acridin-9-ylmethylamino)-6-amino-6-oxohexanoic acid","","","","","","","","","","","","","","","","","","","","2-(Acridin-9-ylmethylamino)-6-amino-6-oxohexanoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC(CCCC(=O)N)C(=O)O","QYPSNLDYYPJMPY-UHFFFAOYSA-N","6711457",NA,"PDBC14802","627737","Present"
-"2-(Acridine-4-carbonylamino)ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;bromide","","","","","","","","","","","","","","","","","","","","2-(Acridine-4-carbonylamino)ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;bromide","","C[N+](C)(CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-]","GNMCHDTWVLFFPZ-UHFFFAOYSA-N","387912",NA,"PDBC14803","682145","Present"
-"2-(Acridine-4-carbonylamino)ethyl-dimethyl-[(5-nitrothiophen-2-yl)methyl]azanium;chloride","","","","","","","","","","","","","","","","","","","","2-(Acridine-4-carbonylamino)ethyl-dimethyl-[(5-nitro-2-thienyl)methyl]ammonium chloride","","C[N+](C)(CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)CC4=CC=C(S4)[N+](=O)[O-].[Cl-]","KXUDLJUYUUVJPM-UHFFFAOYSA-N","388660",NA,"PDBC14804","683680","Present"
-"2-(Acridine-9-carbonylamino)-3-methylpentanoic acid","","","","","","","","","","","","","","","","","","","","2-(Acridine-9-carbonylamino)-3-methyl-pentanoic acid","","CCC(C)C(C(=O)O)NC(=O)C1=C2C=CC=CC2=NC3=CC=CC=C31","QWXVZEKNGMKVSD-UHFFFAOYSA-N","392360",NA,"PDBC14805","692644","Present"
-"2-(Acridine-9-carbonylamino)-3-sulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-(Acridine-9-carbonylamino)-3-sulfanyl-propanoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC(CS)C(=O)O","OXCSDOJUTUWUON-UHFFFAOYSA-N","392362",NA,"PDBC14806","692646","Present"
-"2-(Acridine-9-carbonylamino)-5-(diaminomethylideneamino)pentanoic acid","","","","","","","","","","","","","","","","","","","","2-(Acridine-9-carbonylamino)-5-guanidino-pentanoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC(CCCN=C(N)N)C(=O)O","HEBPAPMKVPCMJW-UHFFFAOYSA-N","392359",NA,"PDBC14807","692643","Present"
-"2-(Acridine-9-carbonylamino)-5-amino-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","2-(Acridine-9-carbonylamino)-5-amino-5-oxo-pentanoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC(CCC(=O)N)C(=O)O","YBIXIQIOUALMCG-UHFFFAOYSA-N","392361",NA,"PDBC14808","692645","Present"
-"2-(Acridine-9-carbonylamino)acetic acid","","","","","","","","","","","","","","","","","","","","2-(Acridine-9-carbonylamino)acetic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NCC(=O)O","QUCVVBRYKAOIHL-UHFFFAOYSA-N","392358",NA,"PDBC14809","692642","Present"
-"2-(Allylamino)-5-amino-1,3-thiazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(Allylamino)-5-amino-1,3-thiazole-4-carbonitrile","","C=CCNC1=NC(=C(S1)N)C#N","RGXXRCQFFKZTQN-UHFFFAOYSA-N","379274",NA,"PDBC14810","663780","Present"
-"2-(Aminoethyl)cysteine monohydrochloride","","","","","","","","","","","","","","","","","","","","s-(.beta.-aminoethyl)-l-cysteine hydrochloride","","C(CSCC(C(=O)O)N)N.Cl","CVHKULVNPGAEQM-UHFFFAOYSA-N","20495557",NA,"PDBC14811","186915","Present"
-"2-(Anilino(hydroxyamino)methyl)-3-phenylacrylonitrile","","","","","","","","","","","","","","","","","","","","2-(Anilino(hydroxyamino)methyl)-3-phenylacrylonitrile","","C1=CC=C(C=C1)C=C(C#N)C(NC2=CC=CC=C2)NO","WLNJVEPPXILBFD-SDNWHVSQSA-N","5388141",NA,"PDBC14812","632235","Present"
-"2-(Anilinomethyl)-6-bromo-3-phenylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","6-Bromo-3-phenyl-2-[(phenylamino)methyl]quinazolin-4(3H)-one","","C1=CC=C(C=C1)NCC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=CC=C4","LZSGIDMGRSKIQU-UHFFFAOYSA-N","369091",NA,"PDBC14813","640648","Present"
-"2-(Aziridin-1-yl)-3-methylnaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-(Aziridin-1-yl)-3-methylnaphthalene-1,4-dione","","CC1=C(C(=O)C2=CC=CC=C2C1=O)N3CC3","DKRIJMBORYUEEM-UHFFFAOYSA-N","283978",NA,"PDBC14814","139346","Present"
-"2-(Benzene sulfonyl)-L-glutamic acid uride","","","","","","","","","","","","","","","","","","","","2-(Benzene sulfonyl)-L-glutamic acid uride","","C1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NC(=O)N)C(=O)NC(=O)N","PKSDWZOTBKOKES-UHFFFAOYSA-N","388356",NA,"PDBC14815","683240","Present"
-"2-(Benzenecarbonothioyl)isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(Phenylcarbonothioyl)-1h-isoindole-1,3(2h)-dione","","C1=CC=C(C=C1)C(=S)N2C(=O)C3=CC=CC=C3C2=O","CIACEMHQWFIMTG-UHFFFAOYSA-N","401488",NA,"PDBC14816","715146","Present"
-"2-(Benzenecarbonothioylamino)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(Benzenecarbonothioylamino)benzoic acid","","C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2C(=O)O","BIBRRKBRYMBTBP-UHFFFAOYSA-N","3886168",NA,"PDBC14817","176371","Present"
-"2-(Benzenesulfinyl)aniline","","","","","","","","","","","","","","","","","","","","2NH2Ph-SO-Ph","","C1=CC=C(C=C1)S(=O)C2=CC=CC=C2N","JLOIOAHBUWWPRI-UHFFFAOYSA-N","365386",NA,"PDBC14818","632999","Present"
-"2-(Benzenesulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine","","","","","","","","","","","","","","","","","","","","2-(Benzenesulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine","","C1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NO","OHOCEEISGJSVIO-UHFFFAOYSA-N","9572188",NA,"PDBC14819","707031","Present"
-"2-(Benzenesulfonyl)-4,5-dimethoxy-6-(methoxymethyl)oxan-3-ol","","","","","","","","","","","","","","","","","","","","NSC705154///NSC705155","","COCC1C(C(C(C(O1)S(=O)(=O)C2=CC=CC=C2)O)OC)OC","IWWOBHKWOARBGU-UHFFFAOYSA-N","397411",NA,"PDBC14820","705154///705155","Present"
-"2-(Benzenesulfonyl)aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC624235","","C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N.Cl","JTJGSKVDCPAYAE-UHFFFAOYSA-N","361293",NA,"PDBC14821","624235","Present"
-"2-(Benzhydrylsulfanyl)-4-phenyl-1H-imidazole","","","","","","","","","","","","","","","","","","","","STK756154","","C1=CC=C(C=C1)C2=CN=C(N2)SC(C3=CC=CC=C3)C4=CC=CC=C4","IHWOBIIDIVJCRV-UHFFFAOYSA-N","403041",NA,"PDBC14822","717513","Present"
-"2-(Benzimidazol-1-yl)ethanimidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC645375","","C1=CC=C2C(=C1)N=CN2CC(=N)N.Cl","WZQDXWPUDIOACH-UHFFFAOYSA-N","371300",NA,"PDBC14823","645375","Present"
-"2-(Benzo[D][1,3]dioxol-5-YL)-2,3-dihydroquinolin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1~{H}-quinolin-4-one","","C1C(NC2=CC=CC=C2C1=O)C3=CC4=C(C=C3)OCO4","HUCPWAIRFSQMTN-UHFFFAOYSA-N","10880055",NA,"PDBC14824","783181","Present"
-"2-(Benzo[d]oxazol-3(2H)-ylmethyl)-5-((cyclohexylamino)methyl)benzene-1, dihydrochloride","","","","","","","","","","","","","","","","","","","","2-(benzo[d]oxazol-3(2H)-ylmethyl)-5-((cyclohexylamino)me...","","C1CCC(CC1)NCC2=CC(=C(C=C2O)CN3COC4=CC=CC=C43)O.Cl","ONVCIRBTSJHKJK-UHFFFAOYSA-N","54601349",NA,"PDBC14825","48693","Present"
-"2-(Benzo[d]thiazol-2-ylthio)ethan-1-amine hydrochloride","","","","","","","","","","","","","","","","","","","","2-(benzo[d]thiazol-2-ylthio)ethanamine, monohydrochloride","","C1=CC=C2C(=C1)N=C(S2)SCCN.Cl","FUGNUHLMJQAKON-UHFFFAOYSA-N","24190966",NA,"PDBC14826","117369","Present"
-"2-(Benzotriazol-1-yl)-N-(4-fluorophenyl)quinolin-4-amine","","","","","","","","","","","","","","","","","","","","2-(Benzotriazol-1-yl)-N-(4-fluorophenyl)quinolin-4-amine","","C1=CC=C2C(=C1)C(=CC(=N2)N3C4=CC=CC=C4N=N3)NC5=CC=C(C=C5)F","VGKXCWAAOTZPEF-UHFFFAOYSA-N","24203267",NA,"PDBC14827","727460","Present"
-"2-(Benzotriazol-1-yl)-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","2-(Benzotriazol-1-yl)-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]quinolin-4-amine","","CC(=NOC)C1=CC(=CC=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4","AFBTVVOSTGSRLC-NTFVMDSBSA-N","24203264",NA,"PDBC14828","727457","Present"
-"2-(Benzoylamino)-2-methylmalonic acid","","","","","","","","","","","","","","","","","","","","(Benzoylamino)(methyl)propanedioic acid","","CC(C(=O)O)(C(=O)O)NC(=O)C1=CC=CC=C1","GOQMHPSLQDHOIT-UHFFFAOYSA-N","274179",NA,"PDBC14829","120025","Present"
-"2-(Benzylamino)-5-(Z)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methylidene-4,5-dihydro-1,3-thiazol-4-one","","","","","","","","","","","","","","","","","","","","coc1ccc(cc1)c2nc(\c=c\3/sc(=nc3=o)ncc4ccccc4)c5ccccn25","","COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C=C4C(=O)NC(=NCC5=CC=CC=C5)S4","ACLQNCHTMLETHD-JCMHNJIXSA-N","136040088",NA,"PDBC14830","751418","Present"
-"2-(Benzyloxy)-1-((benzyloxy)methyl)ethyl diazenylacetate","","","","","","","","","","","","","","","","","","","","2-(Benzyloxy)-1-((benzyloxy)methyl)ethyl diazenylacetate","","C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OC(=O)C[NH+]=[N-]","ZEEKOWNADCNGGK-UHFFFAOYSA-N","386740",NA,"PDBC14831","679282","Present"
-"2-(Benzyloxy)-1-methyl-2-oxoethyl 2-((2-((tert-butoxycarbonyl)amino)-3-phenylpropanoyl)amino)-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","(1-Oxo-1-phenylmethoxypropan-2-yl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoate","","CC(C(=O)OCC1=CC=CC=C1)OC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C","AXTMOYZQURUOPG-UHFFFAOYSA-N","381609",NA,"PDBC14832","668422","Present"
-"2-(Benzyloxy)-3-(1,3-dithian-2-yl)pyridine","","","","","","","","","","","","","","","","","","","","2-(Benzyloxy)-3-(1,3-dithian-2-yl)pyridine","","C1CSC(SC1)C2=C(N=CC=C2)OCC3=CC=CC=C3","ODTYYVUQMLVQBK-UHFFFAOYSA-N","386850",NA,"PDBC14833","679584","Present"
-"2-(Benzyloxy)-4-isobutyl-1,3-oxazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","2-(Benzyloxy)-4-isobutyl-1,3-oxazol-5(4H)-one","","CC(C)CC1C(=O)OC(=N1)OCC2=CC=CC=C2","XYXGMKISONCBJW-UHFFFAOYSA-N","382265",NA,"PDBC14834","669718","Present"
-"2-(Benzyloxy)-4-methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","2-(Benzyloxy)-4-methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone","","COC1=CC(=C(C=C1)C=NNC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OCC5=CC=CC=C5","SSBMTGMUEDRCTP-NDZAJKAJSA-N","9571457",NA,"PDBC14835","666364","Present"
-"2-(Benzyloxy)-5-(2-nitrovinyl)anisole","","","","","","","","","","","","","","","","","","","","NSC22600","","COC1=C(C=CC(=C1)C=C[N+](=O)[O-])OCC2=CC=CC=C2","YDGNRJKNDGBMCL-KTKRTIGZSA-N","5354917",NA,"PDBC14836","22600","Present"
-"2-(Benzyloxycarbonylamino)-6-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","2-(Benzyloxycarbonylamino)-6-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoic acid","","C1=CC=C(C=C1)COC(=O)NCC(=O)NCCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2","GECBEHDPQBJJMB-UHFFFAOYSA-N","381624",NA,"PDBC14837","668445","Present"
-"2-(Benzyloxymethyl)-1-vinyl-cyclohex-2-en-1-ol","","","","","","","","","","","","","","","","","","","","2-((Benzyloxy)methyl)-1-vinyl-2-cyclohexen-1-ol","","C=CC1(CCCC=C1COCC2=CC=CC=C2)O","KQSBIFMFCXOBHN-UHFFFAOYSA-N","394600",NA,"PDBC14838","698180","Present"
-"2-(Benzylsulfinyl)-3-(2-thienyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(Benzylsulfinyl)-3-(2-thienyl)quinoxaline","","C1=CC=C(C=C1)CS(=O)C2=NC3=CC=CC=C3N=C2C4=CC=CS4","PYHGYMDSADRIIM-UHFFFAOYSA-N","374668",NA,"PDBC14839","652768","Present"
-"2-(Benzylsulfinyl)isophthalic acid","","","","","","","","","","","","","","","","","","","","2-(Benzylsulfinyl)isophthalic acid","","C1=CC=C(C=C1)CS(=O)C2=C(C=CC=C2C(=O)O)C(=O)O","CKAKBIDWQALZDX-UHFFFAOYSA-N","331209",NA,"PDBC14840","321598","Present"
-"2-(Benzylthio)-2-methylpropylamine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC154983","","CC(C)(CN)SCC1=CC=CC=C1.Cl","XCWVANNYZYEYHF-UHFFFAOYSA-N","14613827",NA,"PDBC14841","154983","Present"
-"2-(Benzylthio)-3-(2-thienyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(Benzylthio)-3-(2-thienyl)quinoxaline","","C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N=C2C4=CC=CS4","UNWXUHPFCOSAFU-UHFFFAOYSA-N","374667",NA,"PDBC14842","652767","Present"
-"2-(Benzylthio)-6-(4-ethylanilino)-3-methyl-4(3H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","2-(Benzylthio)-6-(4-ethylanilino)-3-methyl-4(3H)-pyrimidinone","","CCC1=CC=C(C=C1)NC2=CC(=O)N(C(=N2)SCC3=CC=CC=C3)C","XKVHXXWMJMLZAK-UHFFFAOYSA-N","387243",NA,"PDBC14843","680819","Present"
-"2-(Benzylthio)-6-(4-ethylanilino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-(Benzylthio)-6-(4-ethylanilino)-4-pyrimidinol","","CCC1=CC=C(C=C1)NC2=CC(=O)NC(=N2)SCC3=CC=CC=C3","UWMYWYLHHZMIDO-UHFFFAOYSA-N","135489816",NA,"PDBC14844","680820","Present"
-"2-(Benzylthio)-6-hydroxy-4-pyrimidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-(Benzylthio)-6-hydroxy-4-pyrimidinecarboxylic acid","","C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2)C(=O)O","IIANGSQEYFEYLM-UHFFFAOYSA-N","135403625",NA,"PDBC14845","42010","Present"
-"2-(Benzylthio)ethanol","","","","","","","","","","","","","","","","","","","","AS-59866","","C1=CC=C(C=C1)CSCCO","ANMHSIXPUAKNLM-UHFFFAOYSA-N","77486",NA,"PDBC14846","404004","Present"
-"2-(Benzylthio)malononitrile","","","","","","","","","","","","","","","","","","","","Propanedinitrile, 2-(phenylmethyl)thio-","","C1=CC=C(C=C1)CSC(C#N)C#N","DWLAFZZWURUUGI-UHFFFAOYSA-N","361853",NA,"PDBC14847","625174","Present"
-"2-(Benzylthio)propanoic acid","","","","","","","","","","","","","","","","","","","","Maybridge1_002352","","CC(C(=O)O)SCC1=CC=CC=C1","QKHQITUHYKZKJI-UHFFFAOYSA-N","270959",NA,"PDBC14848","114213","Present"
-"2-(Bis(1,3-benzothiazol-2-ylthio)methyl)phenol","","","","","","","","","","","","","","","","","","","","2-(Bis(1,3-benzothiazol-2-ylthio)methyl)phenol","","C1=CC=C(C(=C1)C(SC2=NC3=CC=CC=C3S2)SC4=NC5=CC=CC=C5S4)O","FCSJSKBERJLLHH-UHFFFAOYSA-N","241878",NA,"PDBC14849","49789","Present"
-"2-(Bis(4-methoxy-1-naphthyl)methyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-[Di(4'-methoxynaphthyl)methyl]benzoic acid with benzen...","","COC1=CC=C(C2=CC=CC=C21)C(C3=CC=CC=C3C(=O)O)C4=CC=C(C5=CC=CC=C54)OC","RPHANSZCZYCVHU-UHFFFAOYSA-N","368154",NA,"PDBC14850","638503","Present"
-"2-(Bis(4-methoxyphenyl)methylene)malononitrile","","","","","","","","","","","","","","","","","","","","2-(Bis(4-methoxyphenyl)methylene)malononitrile","","COC1=CC=C(C=C1)C(=C(C#N)C#N)C2=CC=C(C=C2)OC","OIGOUJJCCHQOQV-UHFFFAOYSA-N","363697",NA,"PDBC14851","628812","Present"
-"2-(Bis(methylthio)methylene)-4-chloro-1,3-benzodithiole","","","","","","","","","","","","","","","","","","","","2-(Bis(methylthio)methylene)-4-chloro-1,3-benzodithiole","","CSC(=C1SC2=C(S1)C(=CC=C2)Cl)SC","BPLNZNPUADZJPA-UHFFFAOYSA-N","373751",NA,"PDBC14852","650705","Present"
-"2-(Bromomethoxy)ethyl acetate","","","","","","","","","","","","","","","","","","","","AOWRRNLQOFCITG-UHFFFAOYSA-N","","CC(=O)OCCOCBr","AOWRRNLQOFCITG-UHFFFAOYSA-N","367656",NA,"PDBC14853","637534","Present"
-"2-(Bromomethoxy)ethyl benzoate","","","","","","","","","","","","","","","","","","","","2-(Bromomethoxy)ethyl benzoate","","C1=CC=C(C=C1)C(=O)OCCOCBr","AZULTSCIGRESGB-UHFFFAOYSA-N","367724",NA,"PDBC14854","637658","Present"
-"2-(Bromomethyl)-3H-quinazoline-4,5,8-trione","","","","","","","","","","","","","","","","","","","","2-(Bromomethyl)-3H-quinazoline-4,5,8-trione","","C1=CC(=O)C2=C(C1=O)C(=O)NC(=N2)CBr","BZVJZLZRJOJGMJ-UHFFFAOYSA-N","135455630",NA,"PDBC14855","619793","Present"
-"2-(Bromomethyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one","","","","","","","","","","","","","","","","","","","","2-(Bromomethyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one","","CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)CBr","WACSJNHEFUINEC-UHFFFAOYSA-N","383152",NA,"PDBC14856","671198","Present"
-"2-(Bromomethyl)-5-(2-bromopropan-2-yl)-2-ethenyloxolane","","","","","","","","","","","","","","","","","","","","2-(Bromomethyl)-5-(2-bromopropan-2-yl)-2-ethenyltetrahydrofuran","","CC(C)(C1CCC(O1)(CBr)C=C)Br","ZJARJNJKVYTJLZ-UHFFFAOYSA-N","382923",NA,"PDBC14857","670800","Present"
-"2-(Bromomethyl)-6-methoxy-3,4,5-tritrityloxyoxane","","","","","","","","","","","","","","","","","","","","2-(Bromomethyl)-6-methoxy-3,4,5-tritrityloxyoxane","","COC1C(C(C(C(O1)CBr)OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)OC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1","ZJEJBLWGAZBXNH-UHFFFAOYSA-N","345734",NA,"PDBC14858","403490","Present"
-"2-(Butoxymethyl)-1-cyanoguanidine","","","","","","","","","","","","","","","","","","","","NSC643470","","CCCCOCN=C(N)NC#N","QIPGGMIAJHJKGE-UHFFFAOYSA-N","5465263",NA,"PDBC14859","643470","Present"
-"2-(Butylamino)-1,2-bis(4-chlorophenyl)ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC32262","","CCCCNC(C1=CC=C(C=C1)Cl)C(C2=CC=C(C=C2)Cl)O.Cl","SUEFYHMHONBWQA-UHFFFAOYSA-N","24184002",NA,"PDBC14860","32262","Present"
-"2-(Butylamino)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","04Z09IBM8Z","","CCCCNC1=NC2=C(C(=O)N1)NC=N2","OZPCMYKOSKILNC-UHFFFAOYSA-N","135440025",NA,"PDBC14861","682516","Present"
-"2-(Butylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(Butylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","CCCCNC(=O)C1C2CCC(C1C(=O)O)O2","IYWLRXVCEZKPBZ-UHFFFAOYSA-N","369529",NA,"PDBC14862","641386","Present"
-"2-(Carbamoylamino)-2-methoxyacetic acid","","","","","","","","","","","","","","","","","","","","alpha-methoxyhydantoic acid","","COC(C(=O)O)NC(=O)N","SQBMMSCMKXLJDZ-UHFFFAOYSA-N","325890",NA,"PDBC14863","295473","Present"
-"2-(Carboxy proxyl)-decyltriphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","2-(carboxy proxyl)-decyltriphenylphosphonium bromide","","CC1(CC(C(N1O)(C)C)C(=O)OCCCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]","NTGAQMJUWCLECA-UHFFFAOYSA-M","54613125",NA,"PDBC14864","748953","Present"
-"2-(Carboxymethyl)-4-fluorobenzoic acid","","","","","","","","","","","","","","","","","","","","FCH890324","","C1=CC(=C(C=C1F)CC(=O)O)C(=O)O","NJRYCMRYNLWLED-UHFFFAOYSA-N","345395",NA,"PDBC14865","403018","Present"
-"2-(Chloromethyl)-1,3-dinitro-5-(trifluoromethyl)benzene","","","","","","","","","","","","","","","","","","","","2-(chloromethyl)-1,3-dinitro-5-(trifluoromethyl)benzene","","C1=C(C=C(C(=C1[N+](=O)[O-])CCl)[N+](=O)[O-])C(F)(F)F","KPRLWYSEFTZEDA-UHFFFAOYSA-N","360493",NA,"PDBC14866","622627","Present"
-"2-(Chloromethyl)-4,5-bis[(pyrimidine-2-yl)thio]pyridazine-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(Chloromethyl)-4,5-bis(pyrimidin-2-ylsulfanyl)pyridazin-3(2h)-one","","C1=CN=C(N=C1)SC2=C(C(=O)N(N=C2)CCl)SC3=NC=CC=N3","AAFYMIQMIOGQHL-UHFFFAOYSA-N","400496",NA,"PDBC14867","712393","Present"
-"2-(Chloromethyl)-6-hydroxy-1-(methylsulphonyl)-indoline","","","","","","","","","","","","","","","","","","","","2-(Chloromethyl)-6-hydroxy-1-(methylsulphonyl)-indoline","","CS(=O)(=O)N1CC(C2=C1C=C(C=C2)O)CCl","NKRUFEUYGKNSDG-UHFFFAOYSA-N","384835",NA,"PDBC14868","675353","Present"
-"2-(Chloromethyl)-7-hydroxy-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,5-dione","","","","","","","","","","","","","","","","","","","","2-(Chloromethyl)-7-hydroxy-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,5-dione","","CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=C(C5=C(C(=O)C4=O)N(C(=N5)CCl)C)O","JVIKUTMCAAHPME-UHFFFAOYSA-N","135426680",NA,"PDBC14869","706845","Present"
-"2-(Chloromethyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one","","","","","","","","","","","","","","","","","","","","9H-[1,2,4]-Triazolo[5,1-b][1,3]benzothiazin-9-one, 2-(ch...","","C1=CC=C2C(=C1)C(=O)N3C(=NC(=N3)CCl)S2","NWIRWAOQYMSGPG-UHFFFAOYSA-N","365002",NA,"PDBC14870","631911","Present"
-"2-(Chloromethyl)thieno[2,3-f][1]benzothiole-4,8-dione","","","","","","","","","","","","","","","","","","","","2-(Chloromethyl)benzo[1,2-b:4,5-b']bisthiophene-4,8-dione","","C1=CSC2=C1C(=O)C3=C(C2=O)C=C(S3)CCl","XXJGOZZVSHFCRQ-UHFFFAOYSA-N","375905",NA,"PDBC14871","656242","Present"
-"2-(Cyano(imino)methyl)-3-oxo-N-phenylbutanamide","","","","","","","","","","","","","","","","","","","","2-(Cyano(imino)methyl)-3-oxo-N-phenylbutanamide","","CC(=O)C(C(=N)C#N)C(=O)NC1=CC=CC=C1","LLNRNJORJFJDEJ-UHFFFAOYSA-N","300592",NA,"PDBC14872","175668","Present"
-"2-(Cyanoamino)-5-ethyl-N-phenyl-6-propyl-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-(Cyanoamino)-5-ethyl-N-phenyl-6-propyl-4-pyrimidinecarboxamide","","CCCC1=C(C(=NC(=N1)NC#N)C(=O)NC2=CC=CC=C2)CC","KUPPXQLOCQPLPQ-UHFFFAOYSA-N","364947",NA,"PDBC14873","631833","Present"
-"2-(Cyanoamino)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-(Cyanoamino)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide","","CC1=C(SC2=CC=CC=C2N1)C3=CC(=NC(=N3)NC#N)C(=O)NC4=NC=CS4","ONWUALLXLBJDNP-UHFFFAOYSA-N","361456",NA,"PDBC14874","624478","Present"
-"2-(Cyanoamino)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-(Cyanoamino)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide","","CC1=C(SC2=CC=CC=C2N1)C3=CC(=NC(=N3)NC#N)C(=O)NC4=CC=CC(=C4)C(F)(F)F","LRIKDJVQDYSWLE-UHFFFAOYSA-N","360300",NA,"PDBC14875","622335","Present"
-"2-(Cyanoamino)-N-(2-(((2-(cyanoamino)-6-(2-methyl-1-propenyl)-4-pyrimidinyl)carbonyl)amino)ethyl)-6-(2-methyl-1-propenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-(Cyanoamino)-N-[2-[[2-(cyanoamino)-6-(2-methylprop-1-enyl)pyrimidine-4-carbonyl]amino]ethyl]-6-(2-methylprop-1-enyl)pyrimidine-4-carboxamide","","CC(=CC1=CC(=NC(=N1)NC#N)C(=O)NCCNC(=O)C2=NC(=NC(=C2)C=C(C)C)NC#N)C","VWETZVMJZWDUPX-UHFFFAOYSA-N","364276",NA,"PDBC14876","630293","Present"
-"2-(Cyanoamino)-N-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-(Cyanoamino)-N-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)-4-pyrimidinecarboxamide","","CC1=C(C=C(C=C1)NC(=O)C2=NC(=NC(=C2)C3=CC=C(C=C3)OC)NC#N)C","GRNKLGZNLZLSSI-UHFFFAOYSA-N","361442",NA,"PDBC14877","624464","Present"
-"2-(Cyclohexyl(hydroxy)methyl)-3-(4-((triisopropylsilyl)oxy)-1-butenyl)cyclopentanone","","","","","","","","","","","","","","","","","","","","2-(Cyclohexyl(hydroxy)methyl)-3-(4-((triisopropylsilyl)oxy)-1-butenyl)cyclopentanone","","CC(C)[Si](C(C)C)(C(C)C)OCCC=CC1CCC(=O)C1C(C2CCCCC2)O","AIFDEPAJGQREQC-ZRDIBKRKSA-N","5469502",NA,"PDBC14878","689221","Present"
-"2-(Cyclohexylcarbonyl)-12-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indol-4(1H)-one","","","","","","","","","","","","","","","","","","","","4-(Cyclohexanecarbonyl)-17-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one","","CN1C2=CC=CC=C2C3=C1C4CN(CC(=O)N4CC3)C(=O)C5CCCCC5","RRKMTAZPIGDTTH-UHFFFAOYSA-N","383344",NA,"PDBC14879","671458","Present"
-"2-(Diacetylamino)-2H-naphtho[2,3-d]triazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(Diacetylamino)-2H-naphtho[2,3-d]triazole-4,9-dione","","CC(=O)N(C(=O)C)N1N=C2C(=N1)C(=O)C3=CC=CC=C3C2=O","OXHHRUSWVJUTGK-UHFFFAOYSA-N","397503",NA,"PDBC14880","705598","Present"
-"2-(Dibenzylamino)-N-methoxy-N-methylpropanamide","","","","","","","","","","","","","","","","","","","","Propanamide, 2-[bis(phenylmethyl)amino]-N-methoxy-N-methyl-","","CC(C(=O)N(C)OC)N(CC1=CC=CC=C1)CC2=CC=CC=C2","DGDCDTWDXBHCQE-UHFFFAOYSA-N","375612",NA,"PDBC14881","655434","Present"
-"2-(Dibromomethyl)-1-nitroanthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","NSC37600","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(Br)Br)[N+](=O)[O-]","BXZDZTNIJGLMJO-UHFFFAOYSA-N","235829",NA,"PDBC14882","37600","Present"
-"2-(Dibutylamino)-1-(4-phenylmethoxynaphthalen-1-yl)ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(Dibutylamino)-1-(4-phenylmethoxynaphthalen-1-yl)ethanol;hydrochloride","","CCCCN(CCCC)CC(C1=CC=C(C2=CC=CC=C21)OCC3=CC=CC=C3)O.Cl","IMRRRBDQKLOHPQ-UHFFFAOYSA-N","53423315",NA,"PDBC14883","13489","Present"
-"2-(Dicyanomethylene)-aceanthren-1-one","","","","","","","","","","","","","","","","","","","","2-(1-Oxoaceanthrylen-2-ylidene)propanedinitrile","","C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=C(C#N)C#N","LBTRQZNGKWXTEH-UHFFFAOYSA-N","395935",NA,"PDBC14884","701030","Present"
-"2-(Diethoxyphosphoryl)-3-(1-((4-methylphenyl)sulfonyl)-1H-imidazol-4-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-(Diethoxyphosphoryl)-3-(1-((4-methylphenyl)sulfonyl)-1H-imidazol-4-yl)propanoic acid","","CCOP(=O)(C(CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)O)OCC","PGDDNJRQZUMHIS-UHFFFAOYSA-N","382150",NA,"PDBC14885","669596","Present"
-"2-(Diethoxyphosphoryl)-3-(1H-indol-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-(Diethoxyphosphoryl)-3-(1H-indol-3-yl)propanoic acid","","CCOP(=O)(C(CC1=CNC2=CC=CC=C21)C(=O)O)OCC","UERFMMGNOPIERE-UHFFFAOYSA-N","382170",NA,"PDBC14886","669629","Present"
-"2-(Diethoxyphosphorylamino)benzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","diethyl(6-oxo-6h-benzo[c]chromen-2-yl)phosphoramidate","","CCOP(=O)(NC1=CC2=C(C=C1)OC(=O)C3=CC=CC=C32)OCC","WWCHHWCIIQITCT-UHFFFAOYSA-N","265056",NA,"PDBC14887","100827","Present"
-"2-(Diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(Diethoxyphosphorylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol","","CCOP(=O)(CC1C(C(C(O1)CO)O)O)OCC","LYEYSPMBJBJGLG-UHFFFAOYSA-N","394850",NA,"PDBC14888","698925","Present"
-"2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol","","","","","","","","","","","","","","","","","","","","2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol","","CCN(CC)CC(C1CCC(CC1)C2=CC=CC=C2)O","KCPQCTKXSFRSEY-UHFFFAOYSA-N","344209",NA,"PDBC14889","400995","Present"
-"2-(Diethylamino)-4-(4-chlorophenyl)-8-chloro-2H-1,3-dithia-5-oxa-4H-cyclopenta[a]naphthalene-2-ylium","","","","","","","","","","","","","","","","","","","","2-N,N-Diethylamino-8-chloro-4-(4-chlorophenyl)-4H-1,3-di...","","CC[N+](=C1SC2=C(S1)C3=C(C=CC(=C3)Cl)OC2C4=CC=C(C=C4)Cl)CC","BNOXBBORQRCKNS-UHFFFAOYSA-N","127050246",NA,"PDBC14890","794209","Present"
-"2-(Diethylamino)-N-(4-methyl-9H-xanthen-9-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(Diethylamino)-N-(4-methyl-9H-xanthen-9-yl)acetamide","","CCN(CC)CC(=O)NC1C2=CC=CC=C2OC3=C(C=CC=C13)C","MUWUAXSKRJVAGF-UHFFFAOYSA-N","366826",NA,"PDBC14891","635598","Present"
-"2-(Diethylamino)-N-(9H-xanthen-9-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(Diethylamino)-N-(9H-xanthen-9-yl)acetamide","","CCN(CC)CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13","GPUXPROFYQHVII-UHFFFAOYSA-N","366823",NA,"PDBC14892","635595","Present"
-"2-(Diethylamino)-N-ethyl-N-phenylethanimidamide","","","","","","","","","","","","","","","","","","","","2-(diethylamino)-N-ethyl-N-phenyl-acetamidine","","CCN(CC)CC(=N)N(CC)C1=CC=CC=C1","LJFGHUIRQVPCAJ-UHFFFAOYSA-N","367601",NA,"PDBC14893","637433","Present"
-"2-(Diethylamino)ethyl 2-(4-oxo-2-phenylchromen-8-yl)acetate;hydrochloride","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(dieth...","","CCN(CC)CCOC(=O)CC1=C2C(=CC=C1)C(=O)C=C(O2)C3=CC=CC=C3.Cl","WDVNOYDPVLEXLL-UHFFFAOYSA-N","5351298",NA,"PDBC14894","293015","Present"
-"2-(Diethylamino)ethyl 3-(3-azabicyclo[3.2.2]non-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","2-(Diethylamino)ethyl 3-(3-azabicyclo[3.2.2]non-3-yl)propanoate","","CCN(CC)CCOC(=O)CCN1CC2CCC(C1)CC2","FCTCXMHQEXACJY-UHFFFAOYSA-N","379446",NA,"PDBC14895","663994","Present"
-"2-(Diethylaminomethyl)-1-phenyldodecan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(Diethylaminomethyl)-1-phenyldodecan-1-ol;hydrochloride","","CCCCCCCCCCC(CN(CC)CC)C(C1=CC=CC=C1)O.Cl","CXKUOEKRIIYNQZ-UHFFFAOYSA-N","24181198",NA,"PDBC14896","5912","Present"
-"2-(Diethylaminomethyl)-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-(Diethylaminomethyl)-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one","","CCN(CC)CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4","RHPIPYDMGPJCPC-UHFFFAOYSA-N","394569",NA,"PDBC14897","698134","Present"
-"2-(Diethylaminomethyl)-4-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(Diethylaminomethyl)-4-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol;hydrochloride","","CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3)O.Cl","IKYCJGLQFLPQRX-UHFFFAOYSA-N","373147",NA,"PDBC14898","649090","Present"
-"2-(Diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(Diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol;hydrochloride","","CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3C)O.Cl","IAPNUOYAHQHYQR-UHFFFAOYSA-N","373149",NA,"PDBC14899","649091","Present"
-"2-(Diethylaminomethyl)-4-[(3-methyltriazolo[4,5-f]quinolin-9-yl)amino]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(Diethylaminomethyl)-4-[(3-methyltriazolo[4,5-f]quinolin-9-yl)amino]phenol;hydrochloride","","CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=NC=C2)C=CC4=C3N=NN4C)O.Cl","QGEKXZMHKWEVCN-UHFFFAOYSA-N","387993",NA,"PDBC14900","682357","Present"
-"2-(Diethylaminomethyl)-4-[(6-methoxyquinolin-4-yl)amino]phenol","","","","","","","","","","","","","","","","","","","","2-(Diethylaminomethyl)-4-[(6-methoxyquinolin-4-yl)amino]phenol","","CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=C(C=CC3=NC=C2)OC)O.Cl","YXWLOUKDLDLBER-UHFFFAOYSA-N","54601225",NA,"PDBC14901","13465","Present"
-"2-(Diethylaminomethyl)cyclododecan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC656285","","CCN(CC)CC1CCCCCCCCCCC1=O.Cl","IAJPUOSBJWEPDK-UHFFFAOYSA-N","375937",NA,"PDBC14902","656285","Present"
-"2-(Diethylcarbamothioylsulfanylsulfonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(Diethylcarbamothioylsulfanylsulfonyl)benzoic acid","","CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC=C1C(=O)O","VTOARZRCEHQXJY-UHFFFAOYSA-N","394915",NA,"PDBC14903","699008","Present"
-"2-(Dihexylamino)-1-(1,2-dihydroacenaphthylen-5-yl)ethanol","","","","","","","","","","","","","","","","","","","","2-(Dihexylamino)-1-(1,2-dihydroacenaphthylen-5-yl)ethanol","","CCCCCCN(CCCCCC)CC(C1=CC=C2CCC3=C2C1=CC=C3)O","TTZXZNPNHMBVGF-UHFFFAOYSA-N","224554",NA,"PDBC14904","13110","Present"
-"2-(Diiodomethylidene)cyclohexanone","","","","","","","","","","","","","","","","","","","","2-(Diiodomethylidene)cyclohexanone","","C1CCC(=O)C(=C(I)I)C1","ZBDRCSSTKXSPFK-UHFFFAOYSA-N","384792",NA,"PDBC14905","675248","Present"
-"2-(Diisopropoxyphosphorylmethyl)-4-methyl-thiazole","","","","","","","","","","","","","","","","","","","","Phosphonic acid, [(4-methyl-2-thiazolyl)methyl]-, bis(1-...","","CC1=CSC(=N1)CP(=O)(OC(C)C)OC(C)C","LOUKCFKCTPCHLU-UHFFFAOYSA-N","383123",NA,"PDBC14906","671164","Present"
-"2-(Dimethoxymethyl)-2-phenyl-1-benzofuran-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-(Dimethoxymethyl)-2-phenyl-1-benzofuran-3(2H)-one","","COC(C1(C(=O)C2=CC=CC=C2O1)C3=CC=CC=C3)OC","HHDTWYKCZHZRDR-UHFFFAOYSA-N","376287",NA,"PDBC14907","657001","Present"
-"2-(Dimethylamino)-1,2-diphenylethanol","","","","","","","","","","","","","","","","","","","","NSC133504","","CN(C)C(C1=CC=CC=C1)C(C2=CC=CC=C2)O","MLJRRPFUCGOHPB-UHFFFAOYSA-N","223870",NA,"PDBC14908","133504","Present"
-"2-(Dimethylamino)-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol;hydrochloride","","CC1=CC(=CC2=C1C=CC3=C2C=CC(=C3)C(C)C)C(CN(C)C)O.Cl","AHLPKCOUBXCTBY-UHFFFAOYSA-N","24181382",NA,"PDBC14909","8590","Present"
-"2-(Dimethylamino)-1-methoxy-3-phenyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-4-one","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-1-methoxy-3-phenyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-4-one","","CN(C)C1=C(C(=O)N2CCC3=CC=CC=C3C2C1OC)C4=CC=CC=C4","SZCCEFVJGOWSGC-UHFFFAOYSA-N","394529",NA,"PDBC14910","698074","Present"
-"2-(Dimethylamino)-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione","","CC1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)N(C)C","QOHQFFNJYZABNV-UHFFFAOYSA-N","275098",NA,"PDBC14911","121713","Present"
-"2-(Dimethylamino)-4-methylsulfanylbutanoic acid","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-4-methylsulfanylbutanoic acid","","CN(C)C(CCSC)C(=O)O","FLEXUHXAXRFRAU-UHFFFAOYSA-N","239834",NA,"PDBC14912","45514","Present"
-"2-(Dimethylamino)-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one","","CN(C)C1=NC2=C(C3=C(S2)CCCC3)C(=O)O1","HACNIXBBFNHNEM-UHFFFAOYSA-N","384427",NA,"PDBC14913","674204","Present"
-"2-(Dimethylamino)-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one","","CC1=C(SC2=C1C(=O)OC(=N2)N(C)C)C","FNQJRRYSDGOFAL-UHFFFAOYSA-N","384430",NA,"PDBC14914","674207","Present"
-"2-(Dimethylamino)-5-ethyl-9-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(di...","","CCC1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)C)C(=O)N(C3=O)N(C)C","LZROUWNHHCPRKE-UHFFFAOYSA-N","397883",NA,"PDBC14915","706739","Present"
-"2-(Dimethylamino)-5-methyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-5-methyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one","","CC1=C2C(=C(N1)C3=CC=CC=C3)N=C(OC2=O)N(C)C","FHVGKFLBKYBWEK-UHFFFAOYSA-N","384422",NA,"PDBC14916","674199","Present"
-"2-(Dimethylamino)-7-(methoxymethyl)-5,6-dimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-7-(methoxymethyl)-5,6-dimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one","","CC1=C(N(C2=C1C(=O)OC(=N2)N(C)C)COC)C","YQYVYVKLPGHSHE-UHFFFAOYSA-N","384433",NA,"PDBC14917","674210","Present"
-"2-(Dimethylamino)-8-(2-hydroxyethyl)-6,7-diphenyl-4(8H)-pteridinone","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-8-(2-hydroxyethyl)-6,7-diphenyl-4(8H)-pteridinone","","CN(C)C1=NC(=O)C2=NC(=C(N(C2=N1)CCO)C3=CC=CC=C3)C4=CC=CC=C4","PNXNXTFGEKXFGT-UHFFFAOYSA-N","387302",NA,"PDBC14918","680995","Present"
-"2-(Dimethylamino)-8-(2-hydroxyethyl)pteridin-4-one","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-8-(2-hydroxyethyl)pteridin-4-one","","CN(C)C1=NC(=O)C2=NC=CN(C2=N1)CCO","FZVSUCBRXCBSSM-UHFFFAOYSA-N","387301",NA,"PDBC14919","680994","Present"
-"2-(Dimethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)acetamide","","CC1=C2C(=CC=C1)C(C3=CC=CC=C3S2)NC(=O)CN(C)C","CLPAQTULVNFIMZ-UHFFFAOYSA-N","366833",NA,"PDBC14920","635605","Present"
-"2-(Dimethylamino)-N-(9-methyl-5H-chromeno[2,3-b]pyridin-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-N-(9-methyl-5H-chromeno[2,3-b]pyridin-5-yl)acetamide","","CC1=C2C(=CC=C1)C(C3=C(O2)N=CC=C3)NC(=O)CN(C)C","IUGKONVOEBLJHQ-UHFFFAOYSA-N","375987",NA,"PDBC14921","656353","Present"
-"2-(Dimethylamino)-N-[4-[5-[[2-(dimethylamino)acetyl]amino]-6,8-difluoro-7-methyl-4-oxochromen-2-yl]-2-fluorophenyl]acetamide","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 6,8-difluoro-7-methyl-5-(dimethyl...","","CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)CN(C)C)F)NC(=O)CN(C)C)F","VNCGBWXCWMNPDR-UHFFFAOYSA-N","397280",NA,"PDBC14922","704822","Present"
-"2-(Dimethylamino)chromeno[2,3-b]pyridin-5-one","","","","","","","","","","","","","","","","","","","","5H- 1 Benzopyrano 2,3-b pyridin-5-one, 2-(Dimethylamino)-","","CN(C)C1=NC2=C(C=C1)C(=O)C3=CC=CC=C3O2","KXXTUVAJDQJMJK-UHFFFAOYSA-N","360210",NA,"PDBC14923","622189","Present"
-"2-(Dimethylamino)ethyl N-phenyl-1-piperidinecarbimidothioate","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)ethyl N-phenyl-1-piperidinecarbimidothioate","","CN(C)CCSC(=NC1=CC=CC=C1)N2CCCCC2","YOJWDMOEQCMKRU-UHFFFAOYSA-N","376071",NA,"PDBC14924","656470","Present"
-"2-(Dimethylamino)ethyl N-phenyl-1H-pyrrole-1-carbimidothioate","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)ethyl N-phenyl-1H-pyrrole-1-carbimidothioate","","CN(C)CCSC(=NC1=CC=CC=C1)N2C=CC=C2","CMWKHVOKWXCYMG-UHFFFAOYSA-N","376070",NA,"PDBC14925","656469","Present"
-"2-(Dimethylamino)ethyl N-phenyl-4H-1,4-oxazine-4-carbimidothioate","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)ethyl N-phenyl-4H-1,4-oxazine-4-carbimidothioate","","CN(C)CCSC(=NC1=CC=CC=C1)N2C=COC=C2","KBKUZTBAYJVLAP-UHFFFAOYSA-N","376072",NA,"PDBC14926","656471","Present"
-"2-(Dimethylamino)ethyl-diphenylphosphanium;palladium(2+);chloride","","","","","","","","","","","","","","","","","","","","NSC685469","","CN(C)CC[PH+](C1=CC=CC=C1)C2=CC=CC=C2.CN(C)CC[PH+](C1=CC=CC=C1)C2=CC=CC=C2.[Cl-].[Pd+2]","DCQBDUANZCRARH-UHFFFAOYSA-O","6331518",NA,"PDBC14927","685469","Present"
-"2-(Dimethylaminomethyl)-4-[(E)-m-tolylazo]phenol","","","","","","","","","","","","","","","","","","","","2-(Dimethylaminomethyl)-4-[(E)-m-tolylazo]phenol","","CC1=CC(=CC=C1)N=NC2=CC(=C(C=C2)O)CN(C)C","IMYQWHPBWMROPD-UHFFFAOYSA-N","384366",NA,"PDBC14928","674076","Present"
-"2-(Dimethylaminomethyl)-4-[(E)-p-tolylazo]phenol","","","","","","","","","","","","","","","","","","","","2-(Dimethylaminomethyl)-4-[(E)-p-tolylazo]phenol","","CC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)O)CN(C)C","SGMJQDSNLIVXDX-UHFFFAOYSA-N","384367",NA,"PDBC14929","674077","Present"
-"2-(Dimethylaminomethyl)-7-(3-methylbut-3-enyl)cycloheptanone","","","","","","","","","","","","","","","","","","","","2-(Dimethylaminomethyl)-7-(3-methylbut-3-enyl)cycloheptanone","","CC(=C)CCC1CCCCC(C1=O)CN(C)C","FIMDXLYYNGRIJW-UHFFFAOYSA-N","393404",NA,"PDBC14930","695237","Present"
-"2-(Dimethylaminomethyl)cyclohexanone oxime","","","","","","","","","","","","","","","","","","","","2-(Dimethylaminomethyl)cyclohexanone oxime","","CN(C)CC1CCCCC1=NO","YGWRTJQWKSOLCF-KTKRTIGZSA-N","6375242",NA,"PDBC14931","629645","Present"
-"2-(Dimethylsulfamoylamino)pyridine","","","","","","","","","","","","","","","","","","","","AJ-292/40797616","","CN(C)S(=O)(=O)NC1=CC=CC=N1","VQLAVRJUCVTXQV-UHFFFAOYSA-N","304350",NA,"PDBC14932","196148","Present"
-"2-(Dipentylamino)-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(Dipentylamino)-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol;hydrochloride","","CCCCCN(CCCCC)CC(C1=CC2=C(C=CC3=C2C=CC(=C3)C(C)C)C(=C1)C)O.Cl","AJEXQGJQTRYVJM-UHFFFAOYSA-N","24181280",NA,"PDBC14933","7478","Present"
-"2-(Diphenylmethylene)hydrazinecarboximidamide","","","","","","","","","","","","","","","","","","","","43F8Q05RYE","","C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=CC=C2","DARIECBAYUCTAK-UHFFFAOYSA-N","249134",NA,"PDBC14934","67118","Present"
-"2-(Diphenylphosphoryl)-3-isopropyl-1-methyl-1H-indole","","","","","","","","","","","","","","","","","","","","2-(Diphenylphosphoryl)-3-isopropyl-1-methyl-1H-indole","","CC(C)C1=C(N(C2=CC=CC=C21)C)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","IXKCXOBNLHYIGF-UHFFFAOYSA-N","384015",NA,"PDBC14935","673120","Present"
-"2-(Dodecylsulfanyl)-1,4-benzoquinone","","","","","","","","","","","","","","","","","","","","2-(Dodecylsulfanyl)-1,4-benzoquinone","","CCCCCCCCCCCCSC1=CC(=O)C=CC1=O","RIINWLSYFUDXFV-UHFFFAOYSA-N","269320",NA,"PDBC14936","110101","Present"
-"2-(E)-(3-N(^tau)-Histaminesuccinimide-3-methyl-1-butene)-indole-3-acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-[(E)-3-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]imidazol-1-yl]-3-methylbut-1-enyl]-1H-indol-3-yl]acetate","","CC(C)(C=CC1=C(C2=CC=CC=C2N1)CC(=O)OC)N3C=C(N=C3)CCN4C(=O)CCC4=O","FYPKQWGFZJIQRS-ZRDIBKRKSA-N","5471026",NA,"PDBC14937","707446","Present"
-"2-(Ethoxy(methyl)phosphoryl)-3-(1H-indol-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-(Ethoxy(methyl)phosphoryl)-3-(1H-indol-3-yl)propanoic acid","","CCOP(=O)(C)C(CC1=CNC2=CC=CC=C21)C(=O)O","VUSTUXNUGXRMHS-UHFFFAOYSA-N","382167",NA,"PDBC14938","669625","Present"
-"2-(Ethoxymethyl)-5-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one","","","","","","","","","","","","","","","","","","","","2-(Ethoxymethyl)-5-hydroxy-8,8-dimethyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one","","CCOCC1=CC(=O)C2=C(O1)C3=C(C=C2O)OC(CC3)(C)C","HDAQSDAAQZQLJN-UHFFFAOYSA-N","361266",NA,"PDBC14939","624208","Present"
-"2-(Ethoxymethyl)-5-methoxy-8,8-dimethyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one","","","","","","","","","","","","","","","","","","","","2-(Ethoxymethyl)-5-methoxy-8,8-dimethyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one","","CCOCC1=CC(=O)C2=C(C=C3C(=C2O1)CCC(O3)(C)C)OC","AKOYEPXBYYUGJO-UHFFFAOYSA-N","361265",NA,"PDBC14940","624207","Present"
-"2-(Ethyl-(2-hydroxyethyl)amino)ethanol; 2,3,4,5,6-pentachlorophenol","","","","","","","","","","","","","","","","","","","","2-(Ethyl-(2-hydroxyethyl)amino)ethanol; 2,3,4,5,6-pentachlorophenol","","CCN(CCO)CCO.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O","SEIIVYZZBVWVTH-UHFFFAOYSA-N","253979",NA,"PDBC14941","77552","Present"
-"2-(Ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol","","","","","","","","","","","","","","","","","","","","2-(Ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol","","CCSCC1CC(CC(O1)C2=CC=C(C=C2)F)(C3=CC=CC=C3)O","CBOPNSRBBJCEGV-UHFFFAOYSA-N","54612775",NA,"PDBC14942","749753","Present"
-"2-(Ethylthio)-4-(2-furylmethylene)-5-hydrazino-4H-imidazole","","","","","","","","","","","","","","","","","","","","2-(Ethylthio)-4-(2-furylmethylene)-5-hydrazino-4H-imidazole","","CCSC1=NC(=CC2=CC=CO2)C(=N1)NN","SXKHPSVGGOTORV-VURMDHGXSA-N","5469742",NA,"PDBC14943","691978","Present"
-"2-(Ethylthio)-5-phenyl-7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","2-(Ethylthio)-5-phenyl-7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidin-4-amine","","CCSC1=NC2=NC3=C(CCC3)C(=C2C(=N1)N)C4=CC=CC=C4","RRSDWSJQYCLXIM-UHFFFAOYSA-N","381061",NA,"PDBC14944","667080","Present"
-"2-(Formylamino)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-formamido-2-phenyl-acetamide","","C1=CC=C(C=C1)C(C(=O)N)NC=O","KQMSLMMLZJRHPC-UHFFFAOYSA-N","338326",NA,"PDBC14945","360221","Present"
-"2-(Furan-2-yl)-1-methyl-3,5-dithiophen-2-ylpyrrole","","","","","","","","","","","","","","","","","","","","2-(2-Furyl)-1-methyl-3,5-bis(2-thienyl)pyrrole","","CN1C(=CC(=C1C2=CC=CO2)C3=CC=CS3)C4=CC=CS4","ZAAGCPJMCAHQPZ-UHFFFAOYSA-N","395512",NA,"PDBC14946","700202","Present"
-"2-(Furan-2-yl)-1H-perimidine","","","","","","","","","","","","","","","","","","","","ChemDiv2_000854","","C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC=CO4","XBUZJCSOVOHHJC-UHFFFAOYSA-N","376355",NA,"PDBC14947","657188","Present"
-"2-(Furan-2-ylmethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","2-(2-Furylmethyl)benzoic acid","","C1=CC=C(C(=C1)CC2=CC=CO2)C(=O)O","SRNAYAURQLXWPM-UHFFFAOYSA-N","358267",NA,"PDBC14948","618210","Present"
-"2-(Furo[3,2-c]quinolin-4-ylamino)phenol","","","","","","","","","","","","","","","","","","","","2-(Furo[3,2-c]quinolin-4-ylamino)phenol","","C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=CC=C4O","XZQAAUSZUZDCPU-UHFFFAOYSA-N","24203914",NA,"PDBC14949","730144","Present"
-"2-(Heptan-4-ylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(Heptan-4-ylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol;hydrochloride","","CCCC(CCC)NCC(C1=CC(=NC(=C1)C(F)(F)F)C2=CC=C(C=C2)C(F)(F)F)O.Cl","QLBJKEFNYVEYQF-UHFFFAOYSA-N","24198832",NA,"PDBC14950","305795","Present"
-"2-(Hydroxy(2-pyridinyl)methyl)-1-naphthol","","","","","","","","","","","","","","","","","","","","2-(Hydroxy(2-pyridinyl)methyl)-1-naphthol","","C1=CC=C2C(=C1)C=CC(=C2O)C(C3=CC=CC=N3)O","UDTGAFTZSDENIN-UHFFFAOYSA-N","385591",NA,"PDBC14951","676888","Present"
-"2-(Hydroxy(2-pyridinyl)methyl)-6-methylphenol","","","","","","","","","","","","","","","","","","","","2-(Hydroxy(2-pyridinyl)methyl)-6-methylphenol","","CC1=C(C(=CC=C1)C(C2=CC=CC=N2)O)O","XXCYBTOXLYUXNZ-UHFFFAOYSA-N","385588",NA,"PDBC14952","676885","Present"
-"2-(Hydroxy(3-pyridinyl)methyl)-6-methylphenol","","","","","","","","","","","","","","","","","","","","2-(Hydroxy(3-pyridinyl)methyl)-6-methylphenol","","CC1=C(C(=CC=C1)C(C2=CN=CC=C2)O)O","ZYJUNHWGBALBJJ-UHFFFAOYSA-N","385589",NA,"PDBC14953","676886","Present"
-"2-(Hydroxy(4-pyridinyl)methyl)-6-methylphenol","","","","","","","","","","","","","","","","","","","","2-(Hydroxy(4-pyridinyl)methyl)-6-methylphenol","","CC1=C(C(=CC=C1)C(C2=CC=NC=C2)O)O","XRBYOMOZCCPWDQ-UHFFFAOYSA-N","385590",NA,"PDBC14954","676887","Present"
-"2-(Hydroxy(oxido)amino)-N-methyl-N-(2-methylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-(Hydroxy(oxido)amino)-N-methyl-N-(2-methylphenyl)benzenesulfonamide","","CC1=CC=CC=C1N(C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","AUDKTWWKOVYGMN-UHFFFAOYSA-N","383169",NA,"PDBC14955","671282","Present"
-"2-(Hydroxy(oxido)amino)malonaldehyde bis(phenylhydrazone)","","","","","","","","","","","","","","","","","","","","N-[(E)-[(3E)-2-Nitro-3-(phenylhydrazono)propylidene]amino]aniline","","C1=CC=C(C=C1)NN=CC(C=NNC2=CC=CC=C2)[N+](=O)[O-]","IKQYBSBIBFKSHM-MAEUFBSDSA-N","9555885",NA,"PDBC14956","647126","Present"
-"2-(Hydroxy(oxido)amino)malonaldehyde disemicarbazone","","","","","","","","","","","","","","","","","","","","2-(Hydroxy(oxido)amino)malonaldehyde disemicarbazone","","C(=NNC(=O)N)C(C=NNC(=O)N)[N+](=O)[O-]","WATMTNNVMNHBNQ-OVGULLLQSA-N","9555892",NA,"PDBC14957","647261","Present"
-"2-(Hydroxy(phenyl)methyl)-1,3-dithiane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(Hydroxy(phenyl)methyl)-1,3-dithiane-2-carboxylic acid","","C1CSC(SC1)(C(C2=CC=CC=C2)O)C(=O)O","NFKSFBPBJJZFPH-UHFFFAOYSA-N","379024",NA,"PDBC14958","662786","Present"
-"2-(Hydroxyamino)-6-(hydroxymethyl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-(Hydroxyamino)-6-(hydroxymethyl)oxane-3,4,5-triol","","C(C1C(C(C(C(O1)NO)O)O)O)O","KXJMZHQGEGAKAK-UHFFFAOYSA-N","359621",NA,"PDBC14959","620680","Present"
-"2-(Hydroxyamino)cyclohexan-1-one oxime acetate","","","","","","","","","","","","","","","","","","","","NSC663917","","CC(=O)O.C1CCC(=NO)C(C1)NO","RWPYLBIFODZUGF-PHZXCRFESA-N","6518155",NA,"PDBC14960","663917","Present"
-"2-(Hydroxyimino)-3-(p-nitrophenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","NSC21438","","C1=CC(=CC=C1CC(=NO)C(=O)O)[N+](=O)[O-]","FDYHTQWURRLKGH-NTMALXAHSA-N","6399047",NA,"PDBC14961","21438","Present"
-"2-(Hydroxyimino)-3-oxo-N-(2-phenylethyl)butanamide","","","","","","","","","","","","","","","","","","","","2-(Hydroxyimino)-3-oxo-N-(2-phenylethyl)butanamide","","CC(=C(C(=O)NCCC1=CC=CC=C1)N=O)O","VGSQVAHACIEBRD-PKNBQFBNSA-N","135462465",NA,"PDBC14962","636335","Present"
-"2-(Hydroxyimino)-N-(2-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","NSC625639","","CC1=CC=CC=C1NC(=O)C=NO","XLFBDBCQQNVKHU-UXBLZVDNSA-N","6871299",NA,"PDBC14963","625639","Present"
-"2-(Hydroxyimino)-N-(4-methoxyphenyl)-3-oxobutanamide","","","","","","","","","","","","","","","","","","","","2-(Hydroxyimino)-N-(4-methoxyphenyl)-3-oxobutanamide","","CC(=C(C(=O)NC1=CC=C(C=C1)OC)N=O)O","WOIYULAWMZQTKM-JXMROGBWSA-N","135510123",NA,"PDBC14964","636330","Present"
-"2-(Hydroxymethyl)-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-4-carbonitrile","","CN1C2=CC=CC=C2C3(C1=O)C4CC5C(CO4)C6C3C5(CN6C#N)CO","PFHIZEOQCBBUAK-UHFFFAOYSA-N","356177",NA,"PDBC14965","611260","Present"
-"2-(Hydroxymethyl)-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,7-diol","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,7-diol","","CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4O)N=C(N5C)CO)O","QXJRMVZZXNZISD-UHFFFAOYSA-N","135426677",NA,"PDBC14966","706842","Present"
-"2-(Hydroxymethyl)-5-[(2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium-11-yl)methoxy]oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazolium, 11-[1-O-[(.alpha.-L- lyxofu...","","CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=CC=CC=C43)C)COC5C(C(C(O5)CO)O)O)C","ZNXXZAZGDYGHGN-UHFFFAOYSA-N","435657",NA,"PDBC14967","378695","Present"
-"2-(Hydroxymethyl)-5-[6-[(E)-2-hydroxy-2-phenylethenyl]purin-9-yl]oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-5-[6-[(E)-2-hydroxy-2-phenylethenyl]purin-9-yl]oxolane-3,4-diol","","C1=CC=C(C=C1)C(=CC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)O","MHMCIRXDRBTNOZ-WUXMJOGZSA-N","135476744",NA,"PDBC14968","295272","Present"
-"2-(Hydroxymethyl)-5-imidazo[4,5-b]pyridin-3-yl-tetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-5-imidazo[4,5-b]pyridin-3-yl-tetrahydrofuran-3-ol","","C1C(C(OC1N2C=NC3=C2N=CC=C3)CO)O","CFUZUDJNRCIKSC-UHFFFAOYSA-N","386995",NA,"PDBC14969","680305","Present"
-"2-(Hydroxymethyl)-5-phenyl-tetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","1,4-Anhydro-2-deoxy-1-phenylpentitol","","C1C(C(OC1C2=CC=CC=C2)CO)O","LVPXMPVIIAGLBC-UHFFFAOYSA-N","390386",NA,"PDBC14970","687741","Present"
-"2-(Hydroxymethyl)-5-purin-9-ylthiolane-3,4-diol","","","","","","","","","","","","","","","","","","","","4-Thionebularine;9H-Purine, 9-(4-thio-.beta.-D-ribofuran...","","C1=C2C(=NC=N1)N(C=N2)C3C(C(C(S3)CO)O)O","XSAOZILFHTWMEC-UHFFFAOYSA-N","155807913",NA,"PDBC14971","784615","Present"
-"2-(Hydroxymethyl)-6-(2-methyl-2-phenylhydrazinyl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-6-(2-methyl-2-phenylhydrazinyl)oxane-3,4,5-triol","","CN(C1=CC=CC=C1)NC2C(C(C(C(O2)CO)O)O)O","HNTONMFUJPKAJO-UHFFFAOYSA-N","359627",NA,"PDBC14972","620686","Present"
-"2-(Hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]piperazin-1-yl]oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]piperazin-1-yl]oxane-3,4,5-triol","","C1CN(CCN1C2C(C(C(C(O2)CO)O)O)O)C3C(C(C(C(O3)CO)O)O)O","AAHLQODCOIMLFS-UHFFFAOYSA-N","254138",NA,"PDBC14973","77963","Present"
-"2-(Hydroxymethyl)-6-[[(2R,10S)-7-hydroxy-2,6,6,10-tetramethyl-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-6-[[(2R,10S)-7-hydroxy-2,6,6,10-tetramethyl-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxane-3,4,5-triol","","CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C","BNLZRGXSUIQLIM-MHIXYPINSA-N","6712252",NA,"PDBC14974","663006","Present"
-"2-(Hydroxymethyl)-6-[[25,26,27,28-tetrapropoxy-11,17,23-tris[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methoxy]oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","NSC704558///NSC704559///NSC704560","","CCCOC1=C2CC3=CC(=CC(=C3OCCC)CC4=C(C(=CC(=C4)COC5C(C(C(C(O5)CO)O)O)O)CC6=C(C(=CC(=C6)COC7C(C(C(C(O7)CO)O)O)O)CC1=CC(=C2)COC8C(C(C(C(O8)CO)O)O)O)OCCC)OCCC)COC9C(C(C(C(O9)CO)O)O)O","JVKUOZBZNZIYRI-UHFFFAOYSA-N","397157",NA,"PDBC14975","704558///704559///704560","Present"
-"2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","6H-Furo[2',3',4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 6...","","C1=CN2C3C(C(C(O3)CO)OP(=O)(O)O)OC2=NC1=N","MHEIPMMGYDKOAW-UHFFFAOYSA-N","278767",NA,"PDBC14976","128687","Present"
-"2-(Hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol","","COC1C=CC(C(O1)CO)O","BDSSJXGPGYQORZ-UHFFFAOYSA-N","360943",NA,"PDBC14977","623657","Present"
-"2-(Hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one","","CN1C2CCC1C(C(=O)C2)CO","PPBREZWGIJWQDY-UHFFFAOYSA-N","401880",NA,"PDBC14978","715572","Present"
-"2-(Hydroxymethyl)benzo[1,2-b:5,4-b']bisthiophene-4,8-dione","","","","","","","","","","","","","","","","","","","","2-Hydroxymethyl-4,8-dihydrobenzo[1,2-b:5,4-b']dithiophen...","","C1=CSC2=C1C(=O)C3=C(C2=O)SC(=C3)CO","TWAZIKADPMNERA-UHFFFAOYSA-N","375903",NA,"PDBC14979","656240","Present"
-"2-(Hydroxymethyl)cyclopentanol","","","","","","","","","","","","","","","","","","","","cis- and trans-2-Hydroxycyclopentanemethanol","","C1CC(C(C1)O)CO","UADBLZFWTJHOJC-UHFFFAOYSA-N","364429",NA,"PDBC14980","630689","Present"
-"2-(ISOBORNYLOXY)-1,1-DIMETHYLETHYLAMINE","","","","","","","","","","","","","","","","","","","","2-(ISOBORNYLOXY)-1,1-DIMETHYLETHYLAMINE","","CC1(C2CCC1(C(C2)OCC(C)(C)N)C)C","ZTZRQPXJOXZJCX-UHIISALHSA-N","219648",NA,"PDBC14981","1199","Present"
-"2-(Imidazolidin-2-ylidene)-1-(4-methoxyphenyl)ethan-1-one","","","","","","","","","","","","","","","","","","","","2-(Imidazolidin-2-ylidene)-1-(4-methoxyphenyl)ethan-1-one","","COC1=CC=C(C=C1)C(=O)C=C2NCCN2","KMMOBWZLBOXOME-UHFFFAOYSA-N","359000",NA,"PDBC14982","619212","Present"
-"2-(Imino(phenyl)methyl)-N-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-(Imino(phenyl)methyl)-N-methylbenzenesulfonamide","","CNS(=O)(=O)C1=CC=CC=C1C(=N)C2=CC=CC=C2","FEAMUAJBSQUFRM-UHFFFAOYSA-N","268248",NA,"PDBC14983","108399","Present"
-"2-(Iodomethyl)tetrahydrofuran","","","","","","","","","","","","","","","","","","","","AB24846","","C1CC(OC1)CI","BMZJORGYEOQMFR-UHFFFAOYSA-N","364860",NA,"PDBC14984","631673","Present"
-"2-(Isopropylthio)-N-((2,2,5,5-tetramethylcyclopentyl)carbonyl)alanine","","","","","","","","","","","","","","","","","","","","2-(Isopropylthio)-N-((2,2,5,5-tetramethylcyclopentyl)carbonyl)alanine","","CC(C)SC(C)(C(=O)O)NC(=O)C1C(CCC1(C)C)(C)C","PKHBQPNTXYWSGR-UHFFFAOYSA-N","383830",NA,"PDBC14985","672447","Present"
-"2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(isoquinolin-1-yl)-5-phenyl-4-sulfo-1H -pyrrole-3-carb...","","C1=CC=C(C=C1)C2=C(C(=C(N2)C3=NC=CC4=CC=CC=C43)C(=O)O)S(=O)(=O)O","OYQDWWBFWUOBQY-UHFFFAOYSA-N","272344",NA,"PDBC14986","116654","Present"
-"2-(Methoxy(3-thienyl)methyl)-2-((3-thienylmethylene)amino)malononitrile","","","","","","","","","","","","","","","","","","","","2-(Methoxy(3-thienyl)methyl)-2-((3-thienylmethylene)amino)malononitrile","","COC(C1=CSC=C1)C(C#N)(C#N)N=CC2=CSC=C2","QMVSCORXLFKVFB-UHFFFAOYSA-N","386359",NA,"PDBC14987","678155","Present"
-"2-(Methoxyimino)-N-(1,3-thiazol-5-yl)-2-(2-(tritylamino)-1,3-thiazol-4-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-(Methoxyimino)-N-(1,3-thiazol-5-yl)-2-(2-(tritylamino)-1,3-thiazol-4-yl)acetamide","","CON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CN=CS5","VNMSNUSYUSDUSP-IVQJCJPDSA-N","6393313",NA,"PDBC14988","660850","Present"
-"2-(Methoxymethyl)-3-methyl-1,3-oxazolidine","","","","","","","","","","","","","","","","","","","","2-(Methoxymethyl)-3-methyl-1,3-oxazolidine","","CN1CCOC1COC","MQGFQFATLKONFD-UHFFFAOYSA-N","388444",NA,"PDBC14989","683370","Present"
-"2-(Methylamino)-4-oxo-6-(p-tolyl)-1,3-thiazine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-(Methylamino)-4-oxo-6-(p-tolyl)-1,3-thiazine-5-carbonitrile","","CC1=CC=C(C=C1)C2=C(C(=O)N=C(S2)NC)C#N","CILOCOJLRPZLCR-UHFFFAOYSA-N","392000",NA,"PDBC14990","691794","Present"
-"2-(Methylamino)-N'-[(E,2E)-3-phenyl-2-propenylidene]benzohydrazide","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-(methylamino)-, (3-phenyl-2-propenyliden...","","CNC1=CC=CC=C1C(=O)NN=CC=CC2=CC=CC=C2","MTSBRDPBWBAJEY-CIOYMBLNSA-N","9615408",NA,"PDBC14991","205506","Present"
-"2-(Methylaminosulfonyl)-1-(2-naphthylsulfonyl)hydrazine","","","","","","","","","","","","","","","","","","","","2-(Methylaminosulfonyl)-1-(2-naphthylsulfonyl)hydrazine","","CNS(=O)(=O)NNS(=O)(=O)C1=CC2=CC=CC=C2C=C1","DSUUNLUKSHMDFN-UHFFFAOYSA-N","370401",NA,"PDBC14992","643500","Present"
-"2-(Methylaminosulfonyl)-1-(4-chlorophenylsulfonyl)hydrazine","","","","","","","","","","","","","","","","","","","","2-(Methylaminosulfonyl)-1-(4-chlorophenylsulfonyl)hydrazine","","CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Cl","GWNDHIFUQLAQNH-UHFFFAOYSA-N","367381",NA,"PDBC14993","637070","Present"
-"2-(Methylaminosulfonyl)-1-(4-methoxyphenylsulfonyl)hydrazine","","","","","","","","","","","","","","","","","","","","2-(Methylaminosulfonyl)-1-(4-methoxyphenylsulfonyl)hydrazine","","CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)OC","IKFNOHFAKGITJS-UHFFFAOYSA-N","367389",NA,"PDBC14994","637078","Present"
-"2-(Methylaminosulfonyl)-1-(4-methylphenylsulfonyl)hydrazine","","","","","","","","","","","","","","","","","","","","2-(Methylaminosulfonyl)-1-(4-methylphenylsulfonyl)hydrazine","","CC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)NC","PCYMMWQSEQUTEK-UHFFFAOYSA-N","367380",NA,"PDBC14995","637069","Present"
-"2-(Methylaminosulfonyl)-1-(phenylsulfonyl)hydrazine","","","","","","","","","","","","","","","","","","","","2-(Methylaminosulfonyl)-1-(phenylsulfonyl)hydrazine","","CNS(=O)(=O)NNS(=O)(=O)C1=CC=CC=C1","PLJBELBHXISDDQ-UHFFFAOYSA-N","374533",NA,"PDBC14996","652284","Present"
-"2-(Methylanilino)-1,2-diphenylethanol","","","","","","","","","","","","","","","","","","","","2-(Methylanilino)-1,2-diphenylethanol","","CN(C1=CC=CC=C1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)O","LYCDYVURSXYADR-UHFFFAOYSA-N","281028",NA,"PDBC14997","133505","Present"
-"2-(Methylnitrosoamino)-1-thia-3,5,6a-triazapentalene-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-(Methyl-nitroso-amino)imidazo[1,5-b][1,2,4]thiadiazole-7-carboxamide","","CN(C1=NC2=C(N=CN2S1)C(=O)N)N=O","GMWDVAKOCTYPOH-UHFFFAOYSA-N","390992",NA,"PDBC14998","689300","Present"
-"2-(Methylsulfonyl)-1-phenylethanone","","","","","","","","","","","","","","","","","","","","wln: ws1&1vr","","CS(=O)(=O)CC(=O)C1=CC=CC=C1","CAUSPZIZBLGLKW-UHFFFAOYSA-N","19457",NA,"PDBC14999","51601","Present"
-"2-(Methylthio)-4,6-diphenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one","","","","","","","","","","","","","","","","","","","","2-(Methylthio)-4,6-diphenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one","","CSC1=NC2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4","IISXIORBGJXQJV-UHFFFAOYSA-N","383357",NA,"PDBC15000","671471","Present"
-"2-(Methylthio)-5-(1,4,4-tris(5-(methylthio)-2-thienyl)-1,2,3-butatrienyl)thiophene","","","","","","","","","","","","","","","","","","","","2-(Methylthio)-5-(1,4,4-tris(5-(methylthio)-2-thienyl)-1,2,3-butatrienyl)thiophene","","CSC1=CC=C(S1)C(=C=C=C(C2=CC=C(S2)SC)C3=CC=C(S3)SC)C4=CC=C(S4)SC","NQARROWNYYBWDD-UHFFFAOYSA-N","379092",NA,"PDBC15001","663305","Present"
-"2-(Methylthio)-5-(1-piperidinylsulfonyl)-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-(Methylthio)-5-(1-piperidinylsulfonyl)-1,3-benzothiazole","","CSC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3","BPGIMKFADWUVRN-UHFFFAOYSA-N","277465",NA,"PDBC15002","126347","Present"
-"2-(Methylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","2-(Methylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine","","CSC1=NC2=NC3=C(CCCC3)C(=C2C(=N1)N)C4=CC=CC=C4","BOQFJPDDMQUCQW-UHFFFAOYSA-N","381057",NA,"PDBC15003","667076","Present"
-"2-(Methylthio)pteridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(Methylthio)-4-pteridinol","","CSC1=NC2=NC=CN=C2C(=O)N1","XGXBEYPTWXSMTE-UHFFFAOYSA-N","135406834",NA,"PDBC15004","650994","Present"
-"2-(Morpholin-4-yl)-4-oxo-4-phenylbutanoic acid","","","","","","","","","","","","","","","","","","","","CBMicro_028526","","C1COCCN1C(CC(=O)C2=CC=CC=C2)C(=O)O","DHQOIHCQRDTAFZ-UHFFFAOYSA-N","288825",NA,"PDBC15005","150169","Present"
-"2-(Morpholin-4-ylmethyl)-5-propan-2-ylidenecyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-(1-methylethylidene)-5-(4-morpholinyl-...","","CC(=C1CCC(C1=O)CN2CCOCC2)C.Cl","CEWDGQWYMRDUIT-UHFFFAOYSA-N","368458",NA,"PDBC15006","639507","Present"
-"2-(Morpholin-4-ylmethyl)cyclododecan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC657306","","C1CCCCCC(=O)C(CCCC1)CN2CCOCC2.Cl","NMHXLYRLUUDWDU-UHFFFAOYSA-N","376399",NA,"PDBC15007","657306","Present"
-"2-(Morpholinoacetylamino)-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","2-(Morpholinoacetylamino)-4-thiazolecarboxylic acid ethyl ester","","CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCOCC2","OUZJOZIOHBRFRG-UHFFFAOYSA-N","396823",NA,"PDBC15008","703827","Present"
-"2-(N,N-Bis(2-bromoethyl)amino)fluorene","","","","","","","","","","","","","","","","","","","","9H-Fluoren-2-amine, N,N-bis(2-bromoethyl)- (9CI)","","C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CCBr)CCBr","WXJPSQUPGYKDNY-UHFFFAOYSA-N","241801",NA,"PDBC15009","142543","Present"
-"2-(N-(2-Aminophenyl)sulfonylanilino)acetic acid","","","","","","","","","","","","","","","","","","","","2-(N-(2-Aminophenyl)sulfonylanilino)acetic acid","","C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2N","PBVFSYZZJQCMJZ-UHFFFAOYSA-N","362724",NA,"PDBC15010","626979","Present"
-"2-(N-(2-Nitrophenyl)sulfonylanilino)acetic acid","","","","","","","","","","","","","","","","","","","","CBMicro_011403","","C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","ZMUWEJOPTWSFKR-UHFFFAOYSA-N","362728",NA,"PDBC15011","626983","Present"
-"2-(N-(3-Nitrophenyl)sulfonylanilino)acetic acid","","","","","","","","","","","","","","","","","","","","2-(N-(3-Nitrophenyl)sulfonylanilino)acetic acid","","C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]","MRVHYDCQEQXHKD-UHFFFAOYSA-N","362729",NA,"PDBC15012","626984","Present"
-"2-(N-(4-Benzamidophenyl)sulfonylanilino)acetic acid","","","","","","","","","","","","","","","","","","","","2-(N-(4-Benzamidophenyl)sulfonylanilino)acetic acid","","C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CC(=O)O)C3=CC=CC=C3","ONFGSVXSCSLFIA-UHFFFAOYSA-N","362837",NA,"PDBC15013","627208","Present"
-"2-(N-(4-Nitrophenyl)sulfonylanilino)acetic acid","","","","","","","","","","","","","","","","","","","","2-(N-(4-Nitrophenyl)sulfonylanilino)acetic acid","","C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","HWQIGAIPJKUDSF-UHFFFAOYSA-N","362730",NA,"PDBC15014","626985","Present"
-"2-(N-Cyclohexylethanimidoyl)phenol","","","","","","","","","","","","","","","","","","","","2-(N-Cyclohexylethanimidoyl)phenol","","CC(=NC1CCCCC1)C2=CC=CC=C2O","ZCCKPCBSASQBNL-UHFFFAOYSA-N","274711",NA,"PDBC15015","120917","Present"
-"2-(N-Methyl-1-naphthylamino)-2-oxazoline, hydrobromide","","","","","","","","","","","","","","","","","","","","NSC663637","","CN(C1=CC=CC2=CC=CC=C21)C3=NCCO3.Br","ADUOLJCEVGVLME-UHFFFAOYSA-N","379222",NA,"PDBC15016","663637","Present"
-"2-(N-Pyrrolidine)naphthazarin","","","","","","","","","","","","","","","","","","","","2-(N-pyrrolidine)naphthazarin","","C1CCN(C1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O","IZZJLVGJAPZDGZ-UHFFFAOYSA-N","438714",NA,"PDBC15017","663288","Present"
-"2-(Naphthalen-1-yl)-1H-1,3-benzodiazole","","","","","","","","","","","","","","","","","","","","NE35323","","C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4N3","PAOHHYDZFURJKA-UHFFFAOYSA-N","286183",NA,"PDBC15018","144033","Present"
-"2-(Naphthalen-1-yl)-2,3-dihydroquinazolin-4(1h)-one","","","","","","","","","","","","","","","","","","","","4(1h)-quinazolinone, 2,3-dihydro-2-(1-naphthyl)- (8ci)","","C1=CC=C2C(=C1)C=CC=C2C3NC4=CC=CC=C4C(=O)N3","XKEIBCWTOUEGSH-UHFFFAOYSA-N","286701",NA,"PDBC15019","145669","Present"
-"2-(Naphthalen-1-ylmethyl)imidazolidine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC320217","","C1CNC(N1)CC2=CC=CC3=CC=CC=C32.Cl","CZQLRENTGLAZMZ-UHFFFAOYSA-N","24199276",NA,"PDBC15020","320217","Present"
-"2-(Naphthalen-2-yl)-1,2-dihydroquinazolin-4-ol","","","","","","","","","","","","","","","","","","","","STK382844","","C1=CC=C2C=C(C=CC2=C1)C3NC4=CC=CC=C4C(=O)N3","FPWOVEKUXZJCTE-UHFFFAOYSA-N","292561",NA,"PDBC15021","158390","Present"
-"2-(Naphthalen-2-ylamino)-1,2-diphenylethanone;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC34924","","C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)NC3=CC4=CC=CC=C4C=C3.Cl","IZNDWVAIDUBUNL-UHFFFAOYSA-N","24184589",NA,"PDBC15022","34924","Present"
-"2-(Naphthalene-1-sulfonylimino)-imidazolidine-1-carbodithioi c acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester","","","","","","","","","","","","","","","","","","","","2-(Naphthalene-1-sulfonylimino)-imidazolidine-1-carbodit...","","C1CN(C(=N1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C(=S)SN4CCN5C4=NSC5=S","FAHLYZHSAIWBKO-UHFFFAOYSA-N","24205508",NA,"PDBC15023","736063","Present"
-"2-(Neopentylamino)ethanol","","","","","","","","","","","","","","","","","","","","NE51905","","CC(C)(C)CNCCO","MTPDACKXWMOHEB-UHFFFAOYSA-N","244282",NA,"PDBC15024","55114","Present"
-"2-(Nitromethyl)cyclohept-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-(Nitromethyl)-2-cyclohepten-1-one","","C1CCC(=O)C(=CC1)C[N+](=O)[O-]","QKCZSBAMWCUNSI-UHFFFAOYSA-N","11095045",NA,"PDBC15025","742884","Present"
-"2-(Octadecyloxy)-1,3,2-dioxaphospholane 2-oxide","","","","","","","","","","","","","","","","","","","","2-Octadecyl-2-oxo-1,3-dioxophospholane","","CCCCCCCCCCCCCCCCCCOP1(=O)OCCO1","VZEOMTOGOOFQRF-UHFFFAOYSA-N","392102",NA,"PDBC15026","691969","Present"
-"2-(Octanoyloxy)-1-((octyloxy)methyl)ethyl octanoate","","","","","","","","","","","","","","","","","","","","(2-octanoyloxy-3-octoxy-propyl) octanoate","","CCCCCCCCOCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC","RMXJSOADKNKNFK-UHFFFAOYSA-N","372444",NA,"PDBC15027","647558","Present"
-"2-(Oxan-2-yl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2-Tetrahydropyran-2-yl-1H-benzoimidazole","","C1CCOC(C1)C2=NC3=CC=CC=C3N2","HVNSCLHOKBTGEE-UHFFFAOYSA-N","388065",NA,"PDBC15028","682530","Present"
-"2-(P-Dimethylaminostyryl)benzothiazole","","","","","","","","","","","","","","","","","","","","WLN:  T56 BN DSJ C1U1R DN1&1","","CN(C)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3S2","MVMOMSLTZMMLJR-FMIVXFBMSA-N","5378081",NA,"PDBC15029","402471","Present"
-"2-(Para-hydroxyphenyl)-1-[(6,4-dihydro-5H-1,3,4-benzotriazepine-5-one","","","","","","","","","","","","","","","","","","","","2-(para-hydroxyphenyl)-1-[(6,7-dimethoxy-2-(2-thienyl)-4...","","COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4C5=CC=CC=C5C(=O)NN=C4C6=CC=C(C=C6)O)OC","NPWWVXMIBUVTPP-UHFFFAOYSA-N","405784",NA,"PDBC15030","723427","Present"
-"2-(Para-methoxyphenyl)-1-[(6,4-dihydro-5H-1,3,4-benzotriazepine-5-one","","","","","","","","","","","","","","","","","","","","2-(para-methoxyphenyl)-1-[(6,7-dimethoxy-2-(2-thienyl)-4...","","COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=CC(=C(C=C54)OC)OC)C6=CC=CS6","KZLCUJAWTQUCAR-UHFFFAOYSA-N","405786",NA,"PDBC15031","723429","Present"
-"2-(Pentylamino)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-(Pentylamino)naphthalene-1,4-dione","","CCCCCNC1=CC(=O)C2=CC=CC=C2C1=O","UOBLFRLQZGPHNC-UHFFFAOYSA-N","386100",NA,"PDBC15032","677732","Present"
-"2-(Phenethylamino)-2-phenyl-acetonitrile","","","","","","","","","","","","","","","","","","","","ZX-RL004655","","C1=CC=C(C=C1)CCNC(C#N)C2=CC=CC=C2","UFTCLJPFCVHRNP-UHFFFAOYSA-N","363989",NA,"PDBC15033","629607","Present"
-"2-(Phenethylamino)acetic acid","","","","","","","","","","","","","","","","","","","","N-Phenethylglycine","","C1=CC=C(C=C1)CCNCC(=O)O","UHNMIDKSDRGICN-UHFFFAOYSA-N","242245",NA,"PDBC15034","50603","Present"
-"2-(Phenethylthio)acetic acid","","","","","","","","","","","","","","","","","","","","Maybridge3_005416","","C1=CC=C(C=C1)CCSCC(=O)O","KLWBFPUIFBSIJV-UHFFFAOYSA-N","292540",NA,"PDBC15035","158362","Present"
-"2-(Phenoxymethyl)-5-[8-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(Phenoxymethyl)-5-[8-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole","","C1=CC=C(C=C1)OCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)COC4=CC=CC=C4","GVGJLPSKXHDGIR-UHFFFAOYSA-N","394036",NA,"PDBC15036","697154","Present"
-"2-(Phenylcarbamoyl)bicyclo[2.2.1]hepta-2,5-diene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(Phenylcarbamoyl)bicyclo[2.2.1]hepta-2,5-diene-3-carboxylic acid","","C1C2C=CC1C(=C2C(=O)NC3=CC=CC=C3)C(=O)O","JGEIUKKXIXCBQA-UHFFFAOYSA-N","365376",NA,"PDBC15037","632984","Present"
-"2-(Phenylformamido)pentanedioic acid","","","","","","","","","","","","","","","","","","","","NSC635556","","C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O","LPJXPACOXRZCCP-UHFFFAOYSA-N","111218",NA,"PDBC15038","635556","Present"
-"2-(Phenylsulfonyl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","DA-27606","","C1=CC=C(C=C1)S(=O)(=O)C2=NC=CS2","NKGOOHPKFAKZCJ-UHFFFAOYSA-N","370023",NA,"PDBC15039","642591","Present"
-"2-(Phenylsulfonyl)cyclohexanone","","","","","","","","","","","","","","","","","","","","AB-337/13036015","","C1CCC(=O)C(C1)S(=O)(=O)C2=CC=CC=C2","HGTMWGONPUDGMF-UHFFFAOYSA-N","357759",NA,"PDBC15040","617280","Present"
-"2-(Phenylthio)cyclopropanol","","","","","","","","","","","","","","","","","","","","2-(Phenylthio)cyclopropanol","","C1C(C1SC2=CC=CC=C2)O","JTUPWHGXVRCHAG-UHFFFAOYSA-N","361792",NA,"PDBC15041","625064","Present"
-"2-(Piperidin-1-ylmethyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(Piperidin-1-ylmethyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione","","C1CCN(CC1)CN2C(=O)C3CC4=CC=CC=C4CN3C2=O","JOXGDXPHRUSJGU-UHFFFAOYSA-N","372520",NA,"PDBC15042","647654","Present"
-"2-(Piperidin-1-ylmethyl)cyclododecan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC656286","","C1CCCCCC(=O)C(CCCC1)CN2CCCCC2.Cl","SRKVMGLOWZGKEJ-UHFFFAOYSA-N","375939",NA,"PDBC15043","656286","Present"
-"2-(Piperidinomethyl)-4-phenyl-6-chloroquinoline-3-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","6-chloro-4-phenyl-2-(pyperidilmethyl)-quinolin 3-ethylca...","","CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1CN3CCCCC3)C4=CC=CC=C4","MQRZCWJGUPUBOJ-UHFFFAOYSA-N","16095336",NA,"PDBC15044","737759","Present"
-"2-(Prop-2-ynylamino)acetic acid","","","","","","","","","","","","","","","","","","","","Propargyl-glycine","","C#CCNCC(=O)O","XSJLQGMTIHCDSS-UHFFFAOYSA-N","185909",NA,"PDBC15045","692226","Present"
-"2-(Propanoylamino)hexanoic acid","","","","","","","","","","","","","","","","","","","","2-(Propanoylamino)hexanoic acid","","CCCCC(C(=O)O)NC(=O)CC","ZRHYJMJQIXVVRD-UHFFFAOYSA-N","321161",NA,"PDBC15046","270575","Present"
-"2-(Pyridin-2-yloxy)ethanamine","","","","","","","","","","","","","","","","","","","","WT1261","","C1=CC=NC(=C1)OCCN","TUVONOFKFDJHBJ-UHFFFAOYSA-N","96890",NA,"PDBC15047","91884","Present"
-"2-(Pyridin-3-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-(Pyridin-3-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid","","C1CC2C(C(C1O2)C(=O)NCC3=CN=CC=C3)C(=O)O","XDGFRUCYWYGAAJ-UHFFFAOYSA-N","240657",NA,"PDBC15048","47085","Present"
-"2-(Pyridin-4-yl)quinoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","Cambridge id 5542580","","C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)O","IBXRRNLSWGROLA-UHFFFAOYSA-N","26587",NA,"PDBC15049","360211","Present"
-"2-(Pyridin-4-ylmethylamino)-3,7-dihydropurin-6-one","","","","","","","","","","","","","","","","","","","","2-(4-Pyridylmethylamino)-9H-purin-6-ol","","C1=CN=CC=C1CNC2=NC3=C(C(=O)N2)NC=N3","MGNNDZGIYNGAFW-UHFFFAOYSA-N","135440026",NA,"PDBC15050","682526","Present"
-"2-(Pyrrolidin-1-ylmethyl)cyclododecan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC665623","","C1CCCCCC(=O)C(CCCC1)CN2CCCC2.Cl","LWHYNHZUEQSJLI-UHFFFAOYSA-N","380176",NA,"PDBC15051","665623","Present"
-"2-(Pyrrolidin-1-ylmethyl)cyclohexan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC656284","","C1CCC(=O)C(C1)CN2CCCC2.Cl","CUQYBMLDXAHZAZ-UHFFFAOYSA-N","375935",NA,"PDBC15052","656284","Present"
-"2-(Pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC670689","","C1CCN(C1)CC2CCCC2=O.Cl","ZRZXMGGJYZABAD-UHFFFAOYSA-N","382861",NA,"PDBC15053","670689","Present"
-"2-(Pyrrolizinoacetylamino)-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(2-pyrrolidin-1-ylacetyl)amino]thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCCC2","WOZOOEFCYCLRNT-UHFFFAOYSA-N","396821",NA,"PDBC15054","703825","Present"
-"2-(Spiro[1,3-dithiolane-2,9'-fluorene]-2'-carbonyloxy)ethyl spiro[1,3-dithiolane-2,9'-fluorene]-2'-carboxylate","","","","","","","","","","","","","","","","","","","","2-(spiro[1,3-dithiolane-2,9'-fluorene]-2'-carbonyloxy)ethyl spiro[1,3-dithiolane-2,9'-fluorene]-2'-carboxylate","","C1CSC2(S1)C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)OCCOC(=O)C5=CC6=C(C=C5)C7=CC=CC=C7C68SCCS8","MNWHMPMWJCFHCK-UHFFFAOYSA-N","370615",NA,"PDBC15055","643906","Present"
-"2-(Succinimidomethylamino)phenoxathiin-10,10-dioxide","","","","","","","","","","","","","","","","","","","","1-[[(10,10-Dioxophenoxathiin-2-yl)amino]methyl]pyrrolidine-2,5-dione","","C1CC(=O)N(C1=O)CNC2=CC3=C(C=C2)OC4=CC=CC=C4S3(=O)=O","XZPAPDGLTFCOTI-UHFFFAOYSA-N","398019",NA,"PDBC15056","707092","Present"
-"2-(Tert-Butylhydrazono)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","(2E)-2-(Tert-butylhydrazinylidene)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide","","CC(C)(C)NN=C(C1C(=O)NC2=CC=CC=C2S1=O)C(=O)NC3=NC(=S)NN3","OXMMNWQZXAMBFO-JMIUGGIZSA-N","9571317",NA,"PDBC15057","642029","Present"
-"2-(Tert-Butylhydrazono)-3-(6-chloro-3-hydroxy-2-quinoxalinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(Tert-butylhydrazinylidene)-3-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=NNC(C)(C)C)CC3=NC4=C(C=C(C=C4)Cl)NC3=O","RWRBAWAXICDQAB-MIXAMLLLSA-N","6082509",NA,"PDBC15058","649555","Present"
-"2-(Tert-Butylhydrazono)-N-(2,3-dimethoxyphenyl)-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-4-oxo-6-phenylhexanamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(Tert-butylhydrazinylidene)-N-(2,3-dimethoxyphenyl)-6-(4-hydroxy-2-oxochromen-3-yl)-4-oxo-6-phenylhexanamide","","CC(C)(C)NN=C(CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)NC4=C(C(=CC=C4)OC)OC","XQECGQAQTMTMKK-CKWSZQMZSA-N","54688600",NA,"PDBC15059","646368","Present"
-"2-(Tert-Butylhydrazono)-N-(2,3-dimethylphenyl)-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(Tert-Butylhydrazono)-N-(2,3-dimethylphenyl)-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide","","CC1=C(C(=CC=C1)NC(=O)C(=NNC(C)(C)C)C2C(=O)NC(=S)N2)C","QOJBXSBNNISEPK-BKUYFWCQSA-N","9571338",NA,"PDBC15060","646367","Present"
-"2-(Tert-Butylhydrazono)-N-(2,4-dimethoxyphenyl)-3-(7-hydroxy-2-oxo-2H-chromen-4-yl)propanamide","","","","","","","","","","","","","","","","","","","","2-(Tert-Butylhydrazono)-N-(2,4-dimethoxyphenyl)-3-(7-hydroxy-2-oxo-2H-chromen-4-yl)propanamide","","CC(C)(C)NN=C(CC1=CC(=O)OC2=C1C=CC(=C2)O)C(=O)NC3=C(C=C(C=C3)OC)OC","CIGRQOQEUYOPIT-XHPQRKPJSA-N","9571290",NA,"PDBC15061","641422","Present"
-"2-(Tert-Butylhydrazono)-N-(3,4-dimethylphenyl)-3-(7-hydroxy-2-oxo-2H-chromen-4-yl)propanamide","","","","","","","","","","","","","","","","","","","","2-(Tert-Butylhydrazono)-N-(3,4-dimethylphenyl)-3-(7-hydroxy-2-oxo-2H-chromen-4-yl)propanamide","","CC1=C(C=C(C=C1)NC(=O)C(=NNC(C)(C)C)CC2=CC(=O)OC3=C2C=CC(=C3)O)C","JALQXZMZIVLIJV-QOMWVZHYSA-N","5871846",NA,"PDBC15062","649554","Present"
-"2-(Tert-Butylhydrazono)-N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-(1,1-dioxido-2,5-dihydro-2-thienyl)acetamide","","","","","","","","","","","","","","","","","","","","(2E)-2-(Tert-butylhydrazinylidene)-N-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-(1,1-dioxo-2,5-dihydrothiophen-2-yl)acetamide","","CC(C)(C)NN=C(C1C=CCS1(=O)=O)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","JRLARNMLECNTMH-HAHDFKILSA-N","9571372",NA,"PDBC15063","649576","Present"
-"2-(Tert-Butylhydrazono)-N-(3-chlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","(2E)-2-(Tert-butylhydrazinylidene)-N-(3-chlorophenyl)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)acetamide","","CC(C)(C)NN=C(C1C(=O)NC2=CC=CC=C2S1=O)C(=O)NC3=CC(=CC=C3)Cl","KSWKGVYHVCOOAY-JLPGSUDCSA-N","9571347",NA,"PDBC15064","646811","Present"
-"2-(Tert-Butylhydrazono)-N-(4-chloro-2-methylphenyl)-3-cyano-3-(4-(4-(hydroxy(oxido)amino)phenyl)-1,3-thiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(Tert-butylhydrazinylidene)-N-(4-chloro-2-methylphenyl)-3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=NNC(C)(C)C)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]","BAANCNSHMRIDJD-ANYBSYGZSA-N","9571345",NA,"PDBC15065","646801","Present"
-"2-(Tert-Butylhydrazono)-N-(4-ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","(2E)-2-(Tert-butylhydrazinylidene)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-(4-ethoxyphenyl)acetamide","","CCOC1=CC=C(C=C1)NC(=O)C(=NNC(C)(C)C)C2C(=O)NC3=CC=CC=C3S2=O","ORMFPHAIBARLKU-BWAHOGKJSA-N","9571364",NA,"PDBC15066","648634","Present"
-"2-(Tetrahydrofuran-2-yl)-2h-benzotriazole","","","","","","","","","","","","","","","","","","","","2-(Tetrahydrofuran-2-yl)-2h-benzotriazole","","C1CC(OC1)N2N=C3C=CC=CC3=N2","JFDIFIZRTODRQX-UHFFFAOYSA-N","388086",NA,"PDBC15067","682549","Present"
-"2-(Thiophen-2-ylmethyl)propanedioic acid","","","","","","","","","","","","","","","","","","","","DA-42417","","C1=CSC(=C1)CC(C(=O)O)C(=O)O","PGGOEUVKDHKGKQ-UHFFFAOYSA-N","236591",NA,"PDBC15068","39209","Present"
-"2-(Toluene-4-sulfonylimino)-imidazolidine-1-carbodithioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester","","","","","","","","","","","","","","","","","","","","2-(Toluene-4-sulfonylimino)-imidazolidine-1-carbodithioi...","","CC1=CC=C(C=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S","UTMMGDYTYRXGIE-UHFFFAOYSA-N","24205507",NA,"PDBC15069","736062","Present"
-"2-(Triazol-1-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","5160AJ","","C1=CN(N=N1)CC(=O)NN","LACAXGGJCCJQOP-UHFFFAOYSA-N","386624",NA,"PDBC15070","679078","Present"
-"2-(Tribromomethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","WLN: T66 BN ENJ CXEEE","","C1=CC=C2C(=C1)N=CC(=N2)C(Br)(Br)Br","VCCOPRMZNNMFLI-UHFFFAOYSA-N","96377",NA,"PDBC15071","71311","Present"
-"2-(Trichloromethyl)-2H,4H-3,1-benzoxathiin-4-one","","","","","","","","","","","","","","","","","","","","2-(Trichloromethyl)-2H,4H-3,1-benzoxathiin-4-one","","C1=CC=C2C(=C1)C(=O)OC(S2)C(Cl)(Cl)Cl","ZFQCFEFNRZUXLP-UHFFFAOYSA-N","348044",NA,"PDBC15072","407072","Present"
-"2-(Tridecylsulfonylamino)acetamide","","","","","","","","","","","","","","","","","","","","2-(Tridecylsulfonylamino)acetamide","","CCCCCCCCCCCCCS(=O)(=O)NCC(=O)N","HFEPOWGIAHOCPZ-UHFFFAOYSA-N","368414",NA,"PDBC15073","639417","Present"
-"2-(Trifluoromethyl)benzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine","","","","","","","","","","","","","","","","","","","","2-(Trifluoromethyl)benzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine","","C1=CC=C2C(=C1)N=C3N2C(=NC4=C(S3)C=CC(=C4)C(F)(F)F)N","MDBMSKHVSJETMQ-UHFFFAOYSA-N","383194",NA,"PDBC15074","671313","Present"
-"2-(Tritylamino)-N-[2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(Tritylamino)-N-[2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide","","C1CCC(C(C1)NC(=O)CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CNC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","ZZKCTZWBXPGUEP-UHFFFAOYSA-N","384597",NA,"PDBC15075","674609","Present"
-"2-(Tritylthio)ethanamine","","","","","","","","","","","","","","","","","","","","S-tritylcysteamine","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN","XZOWICPSVWHCTC-UHFFFAOYSA-N","262764",NA,"PDBC15076","96704","Present"
-"2-([1,3]Dithiolo[4,5-b][1,4]benzodithiin-2-ylidene)-[1,3]dithiolo[4,5-b][1,4]benzodithiine","","","","","","","","","","","","","","","","","","","","2-([1,3]Dithiolo[4,5-b][1,4]benzodithiin-2-ylidene)-[1,3]dithiolo[4,5-b][1,4]benzodithiine","","C1=CC=C2C(=C1)SC3=C(S2)SC(=C4SC5=C(S4)SC6=CC=CC=C6S5)S3","DMGYONZRUJKUSZ-UHFFFAOYSA-N","392909",NA,"PDBC15077","694091","Present"
-"2-(allyl[?]yl)sulfanylpyridine","","","","","","","","","","","","","","","","","","","","2-(allyl[?]yl)sulfanylpyridine","","C=CCC1(SC2=C(C3=CC=CC=C3C=C2)C4=C(S1)C=CC5=CC=CC=C54)SC6=CC=CC=N6","UMQNVHSACBSHET-UHFFFAOYSA-N","379728",NA,"PDBC15078","664702","Present"
-"2-(alpha,alpha-Dimethylphenethylamino)-2-oxazoline","","","","","","","","","","","","","","","","","","","","LS-103408","","CC(C)(CC1=CC=CC=C1)NC2=NCCO2","APRQMFJISQQHOT-UHFFFAOYSA-N","379603",NA,"PDBC15079","664305","Present"
-"2-(alpha-Cyclopropylbenzylamino)-2-oxazoline","","","","","","","","","","","","","","","","","","","","LS-43319","","C1CC1C(C2=CC=CC=C2)NC3=NCCO3","RSESMLXPRYZMST-UHFFFAOYSA-N","37122",NA,"PDBC15080","664300","Present"
-"2-(alpha-Ethyl-2-thenylamino)-2-oxazoline","","","","","","","","","","","","","","","","","","","","LS-149336","","CCC(C1=CC=CS1)NC2=NCCO2","ANMFSKZAOMFWOH-UHFFFAOYSA-N","215268",NA,"PDBC15081","664304","Present"
-"2-(alpha-Hydroxyaminobenzyl)-6-benzylidenecyclohexanone oxime","","","","","","","","","","","","","","","","","","","","NSC634781","","C1CC(C(=NO)C(=CC2=CC=CC=C2)C1)C(C3=CC=CC=C3)NO","ZRUMPUDVEPDHPW-WRFDHCQQSA-N","5897934",NA,"PDBC15082","634781","Present"
-"2-(alpha-Hydroxybenzyl)-5-aminooxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[hydroxy(phenyl)methyl]-1,3-oxazole-4-carbonitrile","","C1=CC=C(C=C1)C(C2=NC(=C(O2)N)C#N)O","PMXZAJNVNWVONL-UHFFFAOYSA-N","389106",NA,"PDBC15083","684791","Present"
-"2-(alpha-Methyl-2-thenylamino)-2-oxazoline","","","","","","","","","","","","","","","","","","","","LS-149347","","CC(C1=CC=CS1)NC2=NCCO2","JCTNPWVURHOJTC-UHFFFAOYSA-N","215273",NA,"PDBC15084","664192","Present"
-"2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid N(^pi)-methylhistamine amide","","","","","","","","","","","","","","","","","","","","2-[2-(3-Methylbut-2-enoyl)-1H-indol-3-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide","","CC(=CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN=CN3C)C","ROAWEXKBHFUENU-UHFFFAOYSA-N","398076",NA,"PDBC15085","707441","Present"
-"2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid N(^tau)-tritylhistamine amide","","","","","","","","","","","","","","","","","","","","2-[2-(3-Methylbut-2-enoyl)-1H-indol-3-yl]-N-[2-(1-tritylimidazol-4-yl)ethyl]acetamide","","CC(=CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C","XPTZUSQDKZKTMO-UHFFFAOYSA-N","398074",NA,"PDBC15086","707439","Present"
-"2-(beta-D-Ribofuanosyl)-thiazole-4-methylamidate","","","","","","","","","","","","","","","","","","","","2-(.beta.-D-ribofuanosyl)-thiazole-4-methylamidate","","COC(=N)C1=CSC(=N1)C2C(C(C(O2)CO)O)O","ZWHJLJBFDVMAJQ-UHFFFAOYSA-N","363832",NA,"PDBC15087","629050","Present"
-"2-(beta-D-Ribofuranosyl)-thiazole-4-(1,5,6-tetrahydropyrimidine) hydrochloride","","","","","","","","","","","","","","","","","","","","2-(.beta.-D-ribofuranosyl)-thiazole-4-(1,4,5,6-tetrahydr...","","C1CNC(=NC1)C2=CSC(=N2)C3C(C(C(O3)CO)O)O.Cl","INTRZWQMLUKOCR-UHFFFAOYSA-N","363833",NA,"PDBC15088","629051","Present"
-"2-(beta-D-Ribofuranosyl)-thiazole-4-carboxamidine-N-(4'-carboxybutyramide","","","","","","","","","","","","","","","","","","","","2-(.beta.-D-ribofuranosyl)-thiazole-4-carboxamidine-N-(4...","","C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=NC(CCC(=O)N)C(=O)O)N","QTKAARGJGBDBPM-UHFFFAOYSA-N","363835",NA,"PDBC15089","629052","Present"
-"2-(beta-D-Ribofuranosyl)thiazole-4-carboxamidine hydrochloride","","","","","","","","","","","","","","","","","","","","2-(.beta.-D-Ribofuranosyl)thiazole-4-carboxamidine hydro...","","C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=N)N.Cl","DBHADXYMWYBOQI-UHFFFAOYSA-N","362945",NA,"PDBC15090","627417","Present"
-"2-(m-Dimethylaminoanilino)-2-oxazoline","","","","","","","","","","","","","","","","","","","","LS-105857","","CN(C)C1=CC=CC(=C1)NC2=NCCO2","CORXVKVPRFOTID-UHFFFAOYSA-N","379454",NA,"PDBC15091","664006","Present"
-"2-(m-Nitrostyryl)pyridine","","","","","","","","","","","","","","","","","","","","2-(m-Nitrostyryl)pyridine","","C1=CC=NC(=C1)C=CC2=CC(=CC=C2)[N+](=O)[O-]","NFTQPJVUAHNPTC-BQYQJAHWSA-N","5376493",NA,"PDBC15092","19637","Present"
-"2-(p-Aminophenyl)-5-methyltriazolo[3,4-b]thiadiazole","","","","","","","","","","","","","","","","","","","","2-(p-Aminophenyl)-5-methyltriazolo[3,4-b]thiadiazole","","CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)N","GSZZPZBMJBFRPF-UHFFFAOYSA-N","405797",NA,"PDBC15093","723449","Present"
-"2-(p-Chloroanilino)-4-hydroxycyclopent-2-enone","","","","","","","","","","","","","","","","","","","","HOWZFOFUOIGPRL-UHFFFAOYSA-N","","C1C(C=C(C1=O)NC2=CC=C(C=C2)Cl)O","HOWZFOFUOIGPRL-UHFFFAOYSA-N","359314",NA,"PDBC15094","620077","Present"
-"2-(p-Chlorobenzene sulfonlyl)-L-glutamic acid hydrazide","","","","","","","","","","","","","","","","","","","","2-(p-Chlorobenzene sulfonlyl)-L-glutamic acid hydrazide","","C1=CC(=CC=C1S(=O)(=O)NC(CCC(=O)NN)C(=O)NN)Cl","HDCAQSOZZDTFEQ-UHFFFAOYSA-N","388353",NA,"PDBC15095","683237","Present"
-"2-(p-Dimethylaminostyryl)-1-methylnaphtho(1,2-d)thiazolium iodide","","","","","","","","","","","","","","","","","","","","wln: t b566 ck esj c1 d1u1r dn1&1 &i","","C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=CC4=CC=C(C=C4)N(C)C.[I-]","IKAPOHKDZVIPFQ-UHFFFAOYSA-M","6433478",NA,"PDBC15096","5551","Present"
-"2-(p-Methoxyphenyl)-3-methyloxazolidine","","","","","","","","","","","","","","","","","","","","LS-100423","","CN1CCOC1C2=CC=C(C=C2)OC","OVBXBCAOXQPBDJ-UHFFFAOYSA-N","217951",NA,"PDBC15097","683373","Present"
-"2-(p-Toluene sulfonyl)-L-glutamic acid hydrazide","","","","","","","","","","","","","","","","","","","","2-(p-Toluene sulfonyl)-L-glutamic acid hydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NN)C(=O)NN","ZAPVQEQGHDKANZ-UHFFFAOYSA-N","388354",NA,"PDBC15098","683238","Present"
-"2-(p-Toluene sulfonyl)-L-glutamic acid phenyl hydrazide","","","","","","","","","","","","","","","","","","","","2-(p-Toluene sulfonyl)-L-glutamic acid phenyl hydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NNC2=CC=CC=C2)C(=O)NNC3=CC=CC=C3","WUSZCROEPZAEDE-UHFFFAOYSA-N","388355",NA,"PDBC15099","683239","Present"
-"2-(p-Toluenesulfonamido)-1,3,4-thiadiazole-5-sulfonamide","","","","","","","","","","","","","","","","","","","","LS-150305","","CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","FNICBGZPBTURDA-UHFFFAOYSA-N","394904",NA,"PDBC15100","698996","Present"
-"2-(p-Toluenesulfonyloxy)acetic Acid","","","","","","","","","","","","","","","","","","","","NE38634","","CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)O","NSORSORRXHLKQV-UHFFFAOYSA-N","226266",NA,"PDBC15101","16555","Present"
-"2-(p-Tolylsulfinyl)thiophene-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","2-(p-Tolylsulfinyl)thiophene-3-carbaldehyde","","CC1=CC=C(C=C1)S(=O)C2=C(C=CS2)C=O","NWDBKSUFMZMQPR-UHFFFAOYSA-N","387527",NA,"PDBC15102","681437","Present"
-"2-(p-Tolylsulfonylcarbamoylamino)butanedioic acid","","","","","","","","","","","","","","","","","","","","2-(p-Tolylsulfonylcarbamoylamino)butanedioic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC(=O)O)C(=O)O","XCCCHWVAGMKVEQ-UHFFFAOYSA-N","396487",NA,"PDBC15103","702671","Present"
-"2-({(2Z)-2-[2-Hydroxy-1-(6-nitro-3-oxo-3,4-dihydroquinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]hydrazino} carbonyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[2-Hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]-2-sulfamoylbenzamide","","C1=CC=C(C(=C1)C(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=C(C=C4)[N+](=O)[O-])O)S(=O)(=O)N","GHXAAEBMVRFPGI-ZXVVBBHZSA-N","135499259",NA,"PDBC15104","647269","Present"
-"2-({1-[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]ethyl}thio)-4-chloro-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-[1-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]ethylsulfanyl]-4-chloro-5-methylbenzenesulfonamide","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(C)SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N","BFWTYKALWNZOJU-UHFFFAOYSA-N","378484",NA,"PDBC15105","661084","Present"
-"2-({[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methyl}thio)-4-chloro-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanyl]-4-chloro-5-methylbenzenesulfonamide","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CSC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N","XKWNHGXXLXLVFF-UHFFFAOYSA-N","378483",NA,"PDBC15106","661083","Present"
-"2-({[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}thio)-4-chloro-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-({[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}thio)-4-chloro-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)SCC2=NC(=NC(=N2)N(C)C)N)S(=O)(=O)N","KRNHKLHJCPIISU-UHFFFAOYSA-N","378482",NA,"PDBC15107","661082","Present"
-"2-({[5-(2-Hydroxyphenyl)-2-thioxo-2,3,4-oxadiazo l-3-yl]methyl}amino)benzoic acid","","","","","","","","","","","","","","","","","","","","2-({[5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxad...","","C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=CC=C3C(=O)O)O","FYRYTKBSGLWJHW-UHFFFAOYSA-N","135585519",NA,"PDBC15108","731991","Present"
-"2-4-[(5-2,4,5-Trimethoxyphenyl)-4,5-dihydro-3-isoxazolyl]phenoxypentyl)oxy]-3-methoxyphenyl-1,2,3,4-tetrahydro-4-quinazolinone","","","","","","","","","","","","","","","","","","","","2-4-[(5-2,6-dimethoxy-4-[5-(3,4,5-trimethoxyphenyl)-4,5-...","","COC1=CC(=CC(=C1OC)OC)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OCCCCCOC4=C(C=C(C=C4)C5NC6=CC=CC=C6C(=O)N5)OC)OC","CUOBQICXGNMRDP-UHFFFAOYSA-N","45029290",NA,"PDBC15109","746035","Present"
-"2-4-[5-(3,4-Dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-dimethoxy-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-4-[5-(3,4-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-...","","COC1=C(C=C(C=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=C(S4)C(=CC(=C5)OC)OC)OC","OTPBITRSCRRMJU-UHFFFAOYSA-N","60147635",NA,"PDBC15110","751902","Present"
-"2-4-[5-(3,5-Dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,6,7-trimethoxy-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-4-[5-(3,5-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,6,...","","COC1=CC(=CC(=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=CC(=C(C(=C5S4)OC)OC)OC)OC","BBIWPSPXUBZGFA-UHFFFAOYSA-N","60148006",NA,"PDBC15111","753456","Present"
-"2-4-[5-(3,5-Dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-dimethoxy-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-4-[5-(3,5-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-...","","COC1=CC(=CC(=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=C(S4)C(=CC(=C5)OC)OC)OC","DUHAPSHZAYLHAD-UHFFFAOYSA-N","60148008",NA,"PDBC15112","753458","Present"
-"2-Acetamido-3-thiophen-3-ylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-Acetamido-3-thiophen-3-ylpropanoic acid","","CC(=O)NC(CC1=CSC=C1)C(=O)O","BAUPSKSGDPNCTJ-UHFFFAOYSA-N","321144",NA,"PDBC15113","270554","Present"
-"2-Acetamido-5-(benzyloxycarbonylamino)pentanoic acid","","","","","","","","","","","","","","","","","","","","MCS-650","","CC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)O","SNNLQIMJKSMXPD-UHFFFAOYSA-N","370427",NA,"PDBC15114","643523","Present"
-"2-Acetamido-6-chloro-1,4-benzoquinone","","","","","","","","","","","","","","","","","","","","2-Acetamido-6-chloro-1,4-benzoquinone","","CC(=O)NC1=CC(=O)C=C(C1=O)Cl","ILENUJYVSDXTOS-UHFFFAOYSA-N","377213",NA,"PDBC15115","658449","Present"
-"2-Acetamido-6-methyl-8-hydroxy-1,4-naphthaquinone","","","","","","","","","","","","","","","","","","","","2-Acetamido-6-methyl-8-hydroxy-1,4-naphthaquinone","","CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)NC(=O)C","WBQCMONPSIPXGD-UHFFFAOYSA-N","377214",NA,"PDBC15116","658450","Present"
-"2-Acetamido-6-methyl-8-methoxy-1,4-naphthaquinone","","","","","","","","","","","","","","","","","","","","2-Acetamido-6-methyl-8-methoxy-1,4-naphthaquinone","","CC1=CC2=C(C(=C1)OC)C(=O)C(=CC2=O)NC(=O)C","HECGBFUXZSNBRG-UHFFFAOYSA-N","377215",NA,"PDBC15117","658451","Present"
-"2-Acetamido-N-benzyl-5-(2-chloroethylcarbamoylamino)pentanamide","","","","","","","","","","","","","","","","","","","","MCS-684","","CC(=O)NC(CCCNC(=O)NCCCl)C(=O)NCC1=CC=CC=C1","RVXMYXXPOMDMDE-UHFFFAOYSA-N","371057",NA,"PDBC15118","644956","Present"
-"2-Acetamido-N-benzyl-5-(benzylamino)pentanamide","","","","","","","","","","","","","","","","","","","","2-Acetamido-N-benzyl-5-(benzylamino)pentanamide","","CC(=O)NC(CCCNCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2","FLBOTHDKXBBJME-UHFFFAOYSA-N","370432",NA,"PDBC15119","643528","Present"
-"2-Acetamido-N-benzyl-5-(methylcarbamoylamino)pentanamide","","","","","","","","","","","","","","","","","","","","MCS-660","","CC(=O)NC(CCCNC(=O)NC)C(=O)NCC1=CC=CC=C1","XEXVTTSSGLUEMU-UHFFFAOYSA-N","370436",NA,"PDBC15120","643532","Present"
-"2-Acetamido-N-benzyl-5-(prop-2-ynylcarbamoylamino)pentanamide","","","","","","","","","","","","","","","","","","","","NOCAS_875076","","CC(=O)NC(CCCNC(=O)NCC#C)C(=O)NCC1=CC=CC=C1","HCESTUWCONLCON-UHFFFAOYSA-N","371362",NA,"PDBC15121","645582","Present"
-"2-Acetamido-N-benzyl-5-(propylamino)pentanamide","","","","","","","","","","","","","","","","","","","","MCS-655","","CCCNCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C","DQIRFHLBFCRCLK-UHFFFAOYSA-N","370431",NA,"PDBC15122","643527","Present"
-"2-Acetamido-N-benzyl-5-[2-chloroethylcarbamoyl(propyl)amino]pentanamide","","","","","","","","","","","","","","","","","","","","2-Acetamido-N-benzyl-5-[2-chloroethylcarbamoyl(propyl)amino]pentanamide","","CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCCCl","GFIALRWOPLHHDK-UHFFFAOYSA-N","371058",NA,"PDBC15123","644957","Present"
-"2-Acetamido-N-benzyl-5-[benzyl(2-chloroethylcarbamoyl)amino]pentanamide","","","","","","","","","","","","","","","","","","","","2-Acetamido-N-benzyl-5-[benzyl(2-chloroethylcarbamoyl)amino]pentanamide","","CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)NCCCl)C(=O)NCC2=CC=CC=C2","DURVKXKTZAQPGP-UHFFFAOYSA-N","371059",NA,"PDBC15124","644958","Present"
-"2-Acetamido-N-benzyl-5-[benzyl(methylcarbamoyl)amino]pentanamide","","","","","","","","","","","","","","","","","","","","NOCAS_875461","","CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)NC)C(=O)NCC2=CC=CC=C2","ONTNUZPQYORNPQ-UHFFFAOYSA-N","370438",NA,"PDBC15125","643534","Present"
-"2-Acetamido-N-benzyl-5-[methylcarbamoyl(propyl)amino]pentanamide","","","","","","","","","","","","","","","","","","","","MCS-661","","CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NC","BTYPDZABXZNZBG-UHFFFAOYSA-N","370437",NA,"PDBC15126","643533","Present"
-"2-Acetamido-N-benzyl-6-(2-chloroethylcarbamoylamino)hexanamide","","","","","","","","","","","","","","","","","","","","MCS-690","","CC(=O)NC(CCCCNC(=O)NCCCl)C(=O)NCC1=CC=CC=C1","BNDQJOKGSNLGRU-UHFFFAOYSA-N","371063",NA,"PDBC15127","644962","Present"
-"2-Acetamido-N-benzyl-6-(benzylamino)hexanamide","","","","","","","","","","","","","","","","","","","","2-Acetamido-N-benzyl-6-(benzylamino)hexanamide","","CC(=O)NC(CCCCNCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2","DYIBVFCKZKUGRF-UHFFFAOYSA-N","370435",NA,"PDBC15128","643531","Present"
-"2-Acetamido-N-benzyl-6-(methylcarbamoylamino)hexanamide","","","","","","","","","","","","","","","","","","","","MCS-666","","CC(=O)NC(CCCCNC(=O)NC)C(=O)NCC1=CC=CC=C1","UJIJNLCIYNLCHJ-UHFFFAOYSA-N","370442",NA,"PDBC15129","643538","Present"
-"2-Acetamido-N-benzyl-6-(prop-2-ynylcarbamoylamino)hexanamide","","","","","","","","","","","","","","","","","","","","NOCAS_875175","","CC(=O)NC(CCCCNC(=O)NCC#C)C(=O)NCC1=CC=CC=C1","TWFOIWBAYSOYGK-UHFFFAOYSA-N","371364",NA,"PDBC15130","645584","Present"
-"2-Acetamido-N-benzyl-6-(propylamino)hexanamide","","","","","","","","","","","","","","","","","","","","MCS-658","","CCCNCCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C","IGIPPHOXHMXKKK-UHFFFAOYSA-N","370434",NA,"PDBC15131","643530","Present"
-"2-Acetamido-N-benzyl-6-[2-chloroethylcarbamoyl(propyl)amino]hexanamide","","","","","","","","","","","","","","","","","","","","MCS-691","","CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCCCl","BGJULESIBIPZHE-UHFFFAOYSA-N","371064",NA,"PDBC15132","644963","Present"
-"2-Acetamido-N-benzyl-6-[benzyl(2-chloroethylcarbamoyl)amino]hexanamide","","","","","","","","","","","","","","","","","","","","MCS-692","","CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)NCCCl)C(=O)NCC2=CC=CC=C2","ZSKORNXGCDFRGY-UHFFFAOYSA-N","371065",NA,"PDBC15133","644964","Present"
-"2-Acetamido-N-benzyl-6-[benzyl(methylcarbamoyl)amino]hexanamide","","","","","","","","","","","","","","","","","","","","2-Acetamido-N-benzyl-6-[benzyl(methylcarbamoyl)amino]hexanamide","","CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)NC)C(=O)NCC2=CC=CC=C2","HCSFVQIFIQJOFV-UHFFFAOYSA-N","370444",NA,"PDBC15134","643540","Present"
-"2-Acetamido-N-benzyl-6-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]hexanamide","","","","","","","","","","","","","","","","","","","","2-Acetamido-N-benzyl-6-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]hexanamide","","CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)N(CCCl)N=O)C(=O)NCC2=CC=CC=C2","QPCSANVWFZHCCL-UHFFFAOYSA-N","371068",NA,"PDBC15135","644967","Present"
-"2-Acetamido-N-benzyl-6-[methylcarbamoyl(propyl)amino]hexanamide","","","","","","","","","","","","","","","","","","","","NOCAS_875284","","CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NC","PGEYDFDYTWAVDU-UHFFFAOYSA-N","370443",NA,"PDBC15136","643539","Present"
-"2-Acetamidophenyl phenyl sulfoxide","","","","","","","","","","","","","","","","","","","","2AcNHPh-SO-Ph","","CC(=O)NC1=CC=CC=C1S(=O)C2=CC=CC=C2","FOTCKOVKDZSJGX-UHFFFAOYSA-N","365387",NA,"PDBC15137","633000","Present"
-"2-Acetyl-1,2-dihydroellipticine","","","","","","","","","","","","","","","","","","","","2-acetyl-1,2-dihydroellipticine","","CC1=C2CN(C=CC2=C(C3=C1C4=CC=CC=C4N3)C)C(=O)C","CNBKZUVGEAKGEQ-UHFFFAOYSA-N","376328",NA,"PDBC15138","657149","Present"
-"2-Acetyl-2,4-cyclopentadien-1-one phenylhydrazone","","","","","","","","","","","","","","","","","","","","2-Acetyl-2,4-cyclopentadien-1-one phenylhydrazone","","CC(=O)C1=CC=CC1=NNC2=CC=CC=C2","KDBBHGQEKHITEO-FYWRMAATSA-N","9571513",NA,"PDBC15139","675371","Present"
-"2-Acetyl-2-chloro-9-ethenyloxycarbonyl-9-azabicyclo[4.2.1]nonane","","","","","","","","","","","","","","","","","","","","2-Acetyl-2-chloro-9-ethenyloxycarbonyl-9-azabicyclo[4.2....","","CC(=O)C1(CCCC2CCC1N2C(=O)OC=C)Cl","BEOIGTMHOGUMPJ-UHFFFAOYSA-N","392659",NA,"PDBC15140","693245","Present"
-"2-Acetyl-3-((aminocarbothioyl)amino)-N-(2-methylphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-((aminocarbothioyl)amino)-N-(2-methylphenyl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)N","GBTFWHXUGAYXMW-IOEGRWEBSA-N","135442829",NA,"PDBC15141","658318","Present"
-"2-Acetyl-3-(2,2-dimethylhydrazino)-1-phenylpyrazolidine","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-(2,2-dimethylhydrazino)-1-phenylpyrazolidine","","CC(=O)N1C(CCN1C2=CC=CC=C2)NN(C)C","RNDOKKQZAYJTGI-UHFFFAOYSA-N","377021",NA,"PDBC15142","658239","Present"
-"2-Acetyl-3-(2-furyl)-N-phenylacrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-(2-furyl)-N-phenylacrylamide","","CC(=O)C(=CC1=CC=CO1)C(=O)NC2=CC=CC=C2","XLBHGSCFAYDXNH-GXDHUFHOSA-N","5388285",NA,"PDBC15143","634500","Present"
-"2-Acetyl-3-(2-hydroxyphenyl)-N-(2-methylphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-(2-hydroxyphenyl)-N-(2-methylphenyl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=CC2=CC=CC=C2O)C(=O)C","OICCOCINNFRHHF-RVDMUPIBSA-N","5388299",NA,"PDBC15144","634651","Present"
-"2-Acetyl-3-(3-(hydroxy(oxido)amino)phenyl)-N-(2-methylphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-(3-(hydroxy(oxido)amino)phenyl)-N-(2-methylphenyl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C","CKILEGYCDSBNPL-LFIBNONCSA-N","5351366",NA,"PDBC15145","634658","Present"
-"2-Acetyl-3-(4,5-dihydro-2-furanyl)-N-(2-methylphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-(4,5-dihydro-2-furanyl)-N-(2-methylphenyl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=CC2=CCCO2)C(=O)C","VLKGWHAWNPAHOX-GXDHUFHOSA-N","5388298",NA,"PDBC15146","634649","Present"
-"2-Acetyl-3-(4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-N-(2-methylphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-(4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-N-(2-methylphenyl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=CN2C(=O)CC(=O)NC2=S)C(=O)C","YRUVFDWHPGWNMS-FLIBITNWSA-N","3004549",NA,"PDBC15147","658325","Present"
-"2-Acetyl-3-(4-methoxyphenyl)-N-phenylacrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-(4-methoxyphenyl)-N-phenylacrylamide","","CC(=O)C(=CC1=CC=C(C=C1)OC)C(=O)NC2=CC=CC=C2","SVLZHKVIXNBQKB-SFQUDFHCSA-N","5388296",NA,"PDBC15148","634646","Present"
-"2-Acetyl-3-(6-(hydroxy(oxido)amino)-2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-(2-methylphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","(2E)-N-(2-Methylphenyl)-2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxobutanamide","","CC1=CC=CC=C1NC(=O)C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C(=O)C","ATBQMRZXFMQABA-GXDHUFHOSA-N","3004568",NA,"PDBC15149","658353","Present"
-"2-Acetyl-3-(benzyloxy)-1-phenylpyrazolidine","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-(benzyloxy)-1-phenylpyrazolidine","","CC(=O)N1C(CCN1C2=CC=CC=C2)OCC3=CC=CC=C3","ZIXHKUBRENCZRA-UHFFFAOYSA-N","377001",NA,"PDBC15150","658219","Present"
-"2-Acetyl-3-azido-phenalen-1-one","","","","","","","","","","","","","","","","","","","","2'-Acetyl-1-azido-phenylen-3-one","","CC(=O)C1=C(C2=CC=CC3=C2C(=CC=C3)C1=O)N=[N+]=[N-]","WDWGEVPLXLELIW-UHFFFAOYSA-N","387481",NA,"PDBC15151","681284","Present"
-"2-Acetyl-3-hydroxycyclopent-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-hydroxycyclopent-2-en-1-one","","CC(=O)C1=C(CCC1=O)O","RONRCPCLDTZROD-UHFFFAOYSA-N","392710",NA,"PDBC15152","693427","Present"
-"2-Acetyl-3-methyl-1,2-dihydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-methyl-1,2-dihydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione","","CC1=CN2C(=O)C3=CC4=CC=CC=C4C=C3C(=O)N2CC1C(=O)C","RKPVVYHSPTWPQF-UHFFFAOYSA-N","373137",NA,"PDBC15153","649079","Present"
-"2-Acetyl-3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione","","","","","","","","","","","","","","","","","","","","2-Acetyl-3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione","","CC1=C(CN2C(=O)C3=CC=CC=C3C(=O)N2C1)C(=O)C","ZVEHEEBCCDLJIV-UHFFFAOYSA-N","373135",NA,"PDBC15154","649077","Present"
-"2-Acetyl-3-oxobutanal;pentane-2,4-dione;ruthenium","","","","","","","","","","","","","","","","","","","","NSC368176","","CC(=O)CC(=O)C.CC(=O)CC(=O)C.CC(=O)C(C=O)C(=O)C.[Ru]","XGAPGZWCHJOKAV-UHFFFAOYSA-N","435351",NA,"PDBC15155","368176","Present"
-"2-Acetyl-3a-phenyl-3,3a-dihydroisoxazolo[2,3-a]indol-4(2H)-one","","","","","","","","","","","","","","","","","","","","2-Acetyl-3a-phenyl-3,3a-dihydroisoxazolo[2,3-a]indol-4(2H)-one","","CC(=O)C1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=CC=C4","YZWBVQPLHHHLEF-UHFFFAOYSA-N","374522",NA,"PDBC15156","652273","Present"
-"2-Acetyl-4,5-dihydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one","","","","","","","","","","","","","","","","","","","","2-Acetyl-4,5-dihydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one","","CC(=O)C1=CC2=C3C(=C1)C4=CC5=C(C=C4C(=O)N3CC2)OCO5","FESRXNOBFDOPTM-UHFFFAOYSA-N","362980",NA,"PDBC15157","627511","Present"
-"2-Acetyl-4-[(E)-(4-nitrophenyl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","2-Acetyl-4-[(E)-(4-nitrophenyl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one","","CC(=O)N1C(=O)N(C(=N1)C2=CC=CC=C2)N=CC3=CC=C(C=C3)[N+](=O)[O-]","IDYYRUJTFMFPBN-WOJGMQOQSA-N","10315919",NA,"PDBC15158","709356","Present"
-"2-Acetyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","2-Acetyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one","","CC(=O)N1C(=O)N(C(=N1)C2=CC=CC=C2)N=CC3=CC=C(O3)[N+](=O)[O-]","GWMZOONGOAXEDY-CXUHLZMHSA-N","54611520",NA,"PDBC15159","709357","Present"
-"2-Acetyl-5-amino-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Acetyl-5-amino-1,3-oxazole-4-carbonitrile","","CC(=O)C1=NC(=C(O1)N)C#N","WNNRCIQBYWWHGF-UHFFFAOYSA-N","389350",NA,"PDBC15160","685303","Present"
-"2-Acetyl-5-phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","2-Acetyl-5-phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazol-3-one","","CC(=O)N1C(=O)N(C(=N1)C2=CC=CC=C2)N=CC3=CC(=C(C(=C3)OC)OC)OC","NMDHLFFHLRIBAM-CIAFOILYSA-N","9572282",NA,"PDBC15161","710181","Present"
-"2-Acetyl-6-methylbenzoic acid","","","","","","","","","","","","","","","","","","","","PIWLKMHKNURVRN-UHFFFAOYSA-N","","CC1=C(C(=CC=C1)C(=O)C)C(=O)O","PIWLKMHKNURVRN-UHFFFAOYSA-N","362107",NA,"PDBC15162","625636","Present"
-"2-Acetyl-6-methylpyridine 4-ethylthiosemicarbazone","","","","","","","","","","","","","","","","","","","","NSC673830","","CCNC(=S)NN=C(C)C1=CC=CC(=N1)C","CZWBUFFXMAZRFM-NTEUORMPSA-N","5466069",NA,"PDBC15163","673830","Present"
-"2-Acetyl-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-acetyl-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide","","CC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)Cl)[O-])C(F)(F)F","CDYWUOADKPSTQO-UHFFFAOYSA-N","24203530",NA,"PDBC15164","728457","Present"
-"2-Acetyl-7-chloro-8-methyl-3-(4-methoxyphenyl)-1,5,2-benzo[f]dithiazepine","","","","","","","","","","","","","","","","","","","","2-Acetyl-7-chloro-8-methyl-3-(4-methoxyphenyl)-1,1-dioxo...","","CC1=CC2=C(C=C1Cl)SC=C(N(S2(=O)=O)C(=O)C)C3=CC=C(C=C3)OC","ULFFBXSLENRHOV-UHFFFAOYSA-N","24204341",NA,"PDBC15165","731402","Present"
-"2-Acetyl-7-methyl-3-trifluoromethylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-acetyl-7-methyl-3-trifluoromethylquinoxaline 1,4-dioxide","","CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C)C(F)(F)F)[O-]","PUWOZIADALSNEF-UHFFFAOYSA-N","24203531",NA,"PDBC15166","728458","Present"
-"2-Acetyl-N,1-diphenylpyrazolidin-3-amine","","","","","","","","","","","","","","","","","","","","2-Acetyl-N,1-diphenylpyrazolidin-3-amine","","CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=CC=CC=C3","AXCZLBGWEYVQRY-UHFFFAOYSA-N","377002",NA,"PDBC15167","658220","Present"
-"2-Acetyl-N-(2-methoxyphenyl)-3-phenylacrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-N-(2-methoxyphenyl)-3-phenylacrylamide","","CC(=O)C(=CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2OC","PJRWHZLENITDDI-NTCAYCPXSA-N","5388297",NA,"PDBC15168","634647","Present"
-"2-Acetyl-N-(2-methylphenyl)-3-((3-pyridinylcarbothioyl)amino)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-N-(2-methylphenyl)-3-((3-pyridinylcarbothioyl)amino)acrylamide","","CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)C2=CN=CC=C2","DGVYNUAJLZWTIN-WQZXYWPWSA-N","135442828",NA,"PDBC15169","658316","Present"
-"2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-1,3-benzothiazol-3(2H)-yl)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-1,3-benzothiazol-3(2H)-yl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=CN2C3=CC=CC=C3SC2=S)C(=O)C","TZDWRHSGVABMAW-KAMYIIQDSA-N","3004554",NA,"PDBC15170","658332","Present"
-"2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-1-imidazolidinyl)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-1-imidazolidinyl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=CN2CCNC2=S)C(=O)C","HSTRONMSFNVXON-XFXZXTDPSA-N","3004542",NA,"PDBC15171","658317","Present"
-"2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=CN2C3=CC=CC=C3NC2=S)C(=O)C","JREIFCCJYVQCDF-KAMYIIQDSA-N","3004544",NA,"PDBC15172","658319","Present"
-"2-Acetyl-N-(2-methylphenyl)-3-(4-oxo-2-thioxo-1-imidazolidinyl)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-N-(2-methylphenyl)-3-(4-oxo-2-thioxo-1-imidazolidinyl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=CN2CC(=O)NC2=S)C(=O)C","KLWZXERNIZKRGE-XFFZJAGNSA-N","3004550",NA,"PDBC15173","658326","Present"
-"2-Acetyl-N-(2-methylphenyl)-3-(4-oxo-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)acrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-N-(2-methylphenyl)-3-(4-oxo-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)acrylamide","","CC1=CC=CC=C1NC(=O)C(=CN2C=CC(=O)NC2=S)C(=O)C","AIPBUQXGTQFABG-XFXZXTDPSA-N","3004548",NA,"PDBC15174","658324","Present"
-"2-Acetyl-N-(4-ethoxyphenyl)-3-phenylacrylamide","","","","","","","","","","","","","","","","","","","","2-Acetyl-N-(4-ethoxyphenyl)-3-phenylacrylamide","","CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2)C(=O)C","KUWCUUUEBDJARF-QGOAFFKASA-N","5387707",NA,"PDBC15175","625875","Present"
-"2-Acetylamino-3-amino-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","NSC650575","","CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)N","IZJNNHJVNPVRHJ-UHFFFAOYSA-N","337349",NA,"PDBC15176","650575","Present"
-"2-Acetylamino-4-hydroxy-6-formylpteridine","","","","","","","","","","","","","","","","","","","","Ac-6-FP","","CC(=O)NC1=NC2=NC=C(N=C2C(=O)N1)C=O","DDBCPKAHJKOGKK-UHFFFAOYSA-N","135447887",NA,"PDBC15177","129965","Present"
-"2-Acetylaminoestradiol","","","","","","","","","","","","","","","","","","","","2-Acetylaminoestradiol","","CC(=O)NC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","OTXRCAQCQCRBNZ-BKRJIHRRSA-N","384234",NA,"PDBC15178","673651","Present"
-"2-Acetylbenzo[f][1]benzothiole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-b]thiophene-4,9-dione, 2-acetyl-","","CC(=O)C1=CC2=C(S1)C(=O)C3=CC=CC=C3C2=O","AZJPKGXMDKTLMO-UHFFFAOYSA-N","392893",NA,"PDBC15179","694071","Present"
-"2-Acetylimidazo[4,4 dimethyl 3 thio-semicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4,4 dimethyl 3 thio-semica...","","CC(=NNC(=S)N(C)C)C1=NC2=C(N1)C=CC=N2","GSZQIRJQWTXFTJ-VIZOYTHASA-N","135440010",NA,"PDBC15180","674100","Present"
-"2-Acetylimidazo[4,5-b]pyridin 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 3 thiosemicarbazone","","CC(=NNC(=S)N)C1=NC2=C(N1)C=CC=N2","QSLZUDAHRGOJDZ-LHHJGKSTSA-N","135440006",NA,"PDBC15181","674095","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 benzyl 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 benzyl 3 thiosemicarbazone","","CC(=NNC(=S)NCC1=CC=CC=C1)C2=NC3=C(N2)C=CC=N3","WCANXMJXKIUANL-SRZZPIQSSA-N","135425176",NA,"PDBC15182","674107","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 cyclohexyl 3 thio-semicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 cyclohexyl 3 thio-semica...","","CC(=NNC(=S)NC1CCCCC1)C2=NC3=C(N2)C=CC=N3","WIUDNGIKNDNAJW-KEBDBYFISA-N","135440011",NA,"PDBC15183","674101","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 isopropyl 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 isopropyl 3 thiosemicarb...","","CC(C)NC(=S)NN=C(C)C1=NC2=C(N1)C=CC=N2","WRTPYTYTESWSSN-CAOOACKPSA-N","135440007",NA,"PDBC15184","674097","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 methyl 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 methyl 3 thiosemicarbazone","","CC(=NNC(=S)NC)C1=NC2=C(N1)C=CC=N2","ZJDYIPJZPKKYQG-GIDUJCDVSA-N","135399871",NA,"PDBC15185","674096","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 morpholino 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 morpholino 3 thiosemicar...","","CC(=NNC(=S)N1CCOCC1)C2=NC3=C(N2)C=CC=N3","NNZPFBFGWYHGIB-RQZCQDPDSA-N","135427921",NA,"PDBC15186","674110","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 p-chlorophenyl 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 p-chlorophenyl 3 thiosem...","","CC(=NNC(=S)NC1=CC=C(C=C1)Cl)C2=NC3=C(N2)C=CC=N3","MHSFNYLHBQHYNH-ZVBGSRNCSA-N","135424828",NA,"PDBC15187","674103","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 p-hydroxyphenyl 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 p-hydroxyphenyl 3 thiose...","","CC(=NNC(=S)NC1=CC=C(C=C1)OC)C2=NC3=C(N2)C=CC=N3","ZLWNSOIMKLRUJQ-UFFVCSGVSA-N","135440013",NA,"PDBC15188","674105","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 p-nitrophenyl 3 thio-semicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 p-nitrophenyl 3 thio-sem...","","CC(=NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C2=NC3=C(N2)C=CC=N3","PTPCBHIBZMHRAG-AWQFTUOYSA-N","135414414",NA,"PDBC15189","674104","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 piperazino 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 piperazino 3 thiosemicar...","","CC(=NNC(=S)N1CCN(CC1)C)C2=NC3=C(N2)C=CC=N3","CYVVQRKKVHBATL-VCHYOVAHSA-N","135440016",NA,"PDBC15190","674111","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 piperidino 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 piperidino 3 thiosemicar...","","CC(=NNC(=S)N1CCCCC1)C2=NC3=C(N2)C=CC=N3","SHVJLVNFRUBXIW-VCHYOVAHSA-N","135427917",NA,"PDBC15191","674109","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 pyrrlidino 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 pyrrlidino 3 thiosemicar...","","CC(=NNC(=S)N1CCCC1)C2=NC3=C(N2)C=CC=N3","UTMJFMJUBBDLKQ-RQZCQDPDSA-N","135440015",NA,"PDBC15192","674108","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 sec-butyl 3thiosemi-carbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 sec-butyl 3thiosemi-carb...","","CCC(C)NC(=S)NN=C(C)C1=NC2=C(N1)C=CC=N2","XDDMAJWSRGXELH-GIJQJNRQSA-N","135440008",NA,"PDBC15193","674098","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 tert-butyl 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 tert-butyl 3 thiosemicar...","","CC(=NNC(=S)NC(C)(C)C)C1=NC2=C(N1)C=CC=N2","LJYGCLUAMXHVDR-QGMBQPNBSA-N","135440009",NA,"PDBC15194","674099","Present"
-"2-Acetylimidazo[4,5-b]pyridin 4 tolyl 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazo[4,5-b]pyridin 4 tolyl 3 thiosemicarbazone","","CC1=CC=C(C=C1)NC(=S)NN=C(C)C2=NC3=C(N2)C=CC=N3","SLRJSHIDXDIPJC-SRZZPIQSSA-N","135440014",NA,"PDBC15195","674106","Present"
-"2-Acetylimidazp[4,5-b]pyridin 4 phenyl 3 thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Acetylimidazp[4,5-b]pyridin 4 phenyl 3 thiosemicarbazone","","CC(=NNC(=S)NC1=CC=CC=C1)C2=NC3=C(N2)C=CC=N3","PBGGTLOIOCUYCJ-KEBDBYFISA-N","135440012",NA,"PDBC15196","674102","Present"
-"2-Acetyloxyethyl-(1,3-dihexadecoxy-1,3-dioxopropan-2-yl)-dimethylazanium;bromide","","","","","","","","","","","","","","","","","","","","2-Acetyloxyethyl-(1,3-dihexadecoxy-1,3-dioxopropan-2-yl)-dimethylazanium;bromide","","CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCC)[N+](C)(C)CCOC(=O)C.[Br-]","BNURHYIDUDUYJK-UHFFFAOYSA-M","361982",NA,"PDBC15197","625461","Present"
-"2-Acetylphenoxathin thiosemicarbazone","","","","","","","","","","","","","","","","","","","","[(E)-1-Phenoxathiin-2-ylethylideneamino]thiourea","","CC(=NNC(=S)N)C1=CC2=C(C=C1)OC3=CC=CC=C3S2","LQMMRSIRHDRUMX-RQZCQDPDSA-N","9572553",NA,"PDBC15198","720190","Present"
-"2-Acetylpyridine p-toluensulfonylhydrazone","","","","","","","","","","","","","","","","","","","","NSC692419","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=CC=N2","KUXKEXQWKKRQNS-FOWTUZBSSA-N","5466469",NA,"PDBC15199","692419","Present"
-"2-Acetylpyridine-(4-phenylthiosemicarbazone)","","","","","","","","","","","","","","","","","","","","Happtsc","","CC(=NNC(=S)NC1=CC=CC=C1)C2=CC=CC=N2","VHVSCHSQNUUXNS-GZTJUZNOSA-N","5369910",NA,"PDBC15200","291330","Present"
-"2-Acetylthieno[2,3-f][1]benzothiole-4,8-dione","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-acetyl-","","CC(=O)C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3","MMYDGBHMGKVWDF-UHFFFAOYSA-N","388023",NA,"PDBC15201","682448","Present"
-"2-Acridin-9-ylsulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole","","","","","","","","","","","","","","","","","","","","Acridine, 9-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-","","CCSC1=NN=C(S1)SC2=C3C=CC=CC3=NC4=CC=CC=C42","LSBMWMCHCWBNBV-UHFFFAOYSA-N","390166",NA,"PDBC15202","687311","Present"
-"2-Adamantyl 4-methylbenzenesulfinate","","","","","","","","","","","","","","","","","","","","2-Adamantyl 4-methylbenzenesulfinate","","CC1=CC=C(C=C1)S(=O)OC2C3CC4CC(C3)CC2C4","WVQBTXUGUZCNHC-UHFFFAOYSA-N","361215",NA,"PDBC15203","624175","Present"
-"2-Allyl-2-methyl-1-((phenylsulfinyl)methyl)cyclohexanol","","","","","","","","","","","","","","","","","","","","2-Allyl-2-methyl-1-((phenylsulfinyl)methyl)cyclohexanol","","CC1(CCCCC1(CS(=O)C2=CC=CC=C2)O)CC=C","MNHNOMPUSCDZMJ-UHFFFAOYSA-N","363790",NA,"PDBC15204","629004","Present"
-"2-Allyl-4-(6-chloro-2-methoxyacridin-9-ylamino)-6-((diethylamino)methyl)phenol, dihydrochloride","","","","","","","","","","","","","","","","","","","","2-Allyl-4-(6-chloro-2-methoxyacridin-9-ylamino)-6-((diet...","","CCN(CC)CC1=CC(=CC(=C1O)CC=C)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC.Cl","BZMQTXWIPPYINJ-UHFFFAOYSA-N","24183911",NA,"PDBC15205","31711","Present"
-"2-Allyloxy-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","GJJKARQHSXJKNX-UHFFFAOYSA-N","","C=CCOC1=CC(=O)C2=CC=CC=C2C1=O","GJJKARQHSXJKNX-UHFFFAOYSA-N","260635",NA,"PDBC15206","92196","Present"
-"2-Amino-1,3,4,8b-tetrahydro-4a(2H)-biphenylenol","","","","","","","","","","","","","","","","","","","","2-Amino-1,3,4,8b-tetrahydro-4a(2H)-biphenylenol","","C1CC2(C(CC1N)C3=CC=CC=C32)O","KLQPTACUKOGGIQ-UHFFFAOYSA-N","375503",NA,"PDBC15207","655285","Present"
-"2-Amino-1,3,4-thiadiazole","","","","","","","","","","","","","","","","","","","","Aminothiadiazole","","C1=NN=C(S1)N","QUKGLNCXGVWCJX-UHFFFAOYSA-N","19909",NA,"PDBC15208","4728","Present"
-"2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","STK760172","","C1=CC=C(C=C1)C2=C(C(=C(N2C3=CC=CC=C3)N)C#N)C#N","XQCNSHRRDWZUFO-UHFFFAOYSA-N","387738",NA,"PDBC15209","681767","Present"
-"2-Amino-1-(1-phenylethenyl)cyclohexan-1-ol","","","","","","","","","","","","","","","","","","","","2-Amino-1-(1-phenylethenyl)cyclohexan-1-ol","","C=C(C1=CC=CC=C1)C2(CCCCC2N)O","DPJWTFXLGCZLRE-UHFFFAOYSA-N","357749",NA,"PDBC15210","617271","Present"
-"2-Amino-1-(2-hydroxy-3-methoxypropyl)-4,5-dihydroimidazole-4,5-diol;sulfuric acid","","","","","","","","","","","","","","","","","","","","2-Amino-1-(2-hydroxy-3-methoxypropyl)-4,5-dihydroimidazole-4,5-diol;sulfuric acid","","COCC(CN1C(C(N=C1N)O)O)O.OS(=O)(=O)O","KFJMCASIYJHFKY-UHFFFAOYSA-N","360149",NA,"PDBC15211","622083","Present"
-"2-Amino-1-(3,4-dimethylphenyl)propan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Amino-1-(3,4-dimethylphenyl)propan-1-one;hydrochloride","","CC1=C(C=C(C=C1)C(=O)C(C)N)C.Cl","MFOHYVLJMRMISR-UHFFFAOYSA-N","24201277",NA,"PDBC15212","407738","Present"
-"2-Amino-1-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-3-methyl-guanidine","","","","","","","","","","","","","","","","","","","","2-Amino-1-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-3-methyl-guanidine","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NC)NN","NMVMSNZVZFUZRP-UHFFFAOYSA-N","384321",NA,"PDBC15213","674005","Present"
-"2-Amino-1-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-3-phenethyl-guanidine","","","","","","","","","","","","","","","","","","","","2-Amino-1-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-3-phenethyl-guanidine","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NCCC2=CC=CC=C2)NN","QGPJRVDEFUJWQV-UHFFFAOYSA-N","384322",NA,"PDBC15214","674006","Present"
-"2-Amino-1-(4-chlorophenyl)-4-methylsulfanyl-6-oxo-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-1-(4-chlorophenyl)-4-methylsulfanyl-6-oxo-pyridine-3,5-dicarbonitrile","","CSC1=C(C(=O)N(C(=C1C#N)N)C2=CC=C(C=C2)Cl)C#N","WIQVVTPNRQBGKC-UHFFFAOYSA-N","392135",NA,"PDBC15215","692015","Present"
-"2-Amino-1-(4-hydroxyphenyl)propan-1-one hydrochloride","","","","","","","","","","","","","","","","","","","","2-Amino-1-(4-hydroxyphenyl)propan-1-one hydrochloride","","CC(C(=O)C1=CC=C(C=C1)O)N.Cl","QSJIZQZNPCLCJL-UHFFFAOYSA-N","22601032",NA,"PDBC15216","23618","Present"
-"2-Amino-1-(4-methylphenyl)propan-1-one hydrochloride","","","","","","","","","","","","","","","","","","","","SC-50443","","CC1=CC=C(C=C1)C(=O)C(C)N.Cl","FZNOSALCDVTESF-UHFFFAOYSA-N","20232110",NA,"PDBC15217","60487","Present"
-"2-Amino-1-N,9-N-bis(10-benzyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","NSC671034///NSC684907","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)CC3=CC=CC=C3)C)C)C(C)C)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)CC9=CC=CC=C9)C)N)C","AWFYHUCONKUXOE-UHFFFAOYSA-N","16129906",NA,"PDBC15218","671034///684907","Present"
-"2-Amino-1-N,9-N-bis(3-benzyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-1-N,9-N-bis(3-benzyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)CC3=CC=CC=C3)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)CC9=CC=CC=C9)C)C)C(C)C)C)N)C","GVQMDKCFILZNNK-UHFFFAOYSA-N","16129896",NA,"PDBC15219","668473","Present"
-"2-Amino-1-N,9-N-bis[10-(1-hydroxyethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","NSC671033///NSC684905","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)O)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)O)C)N)C","UEPYIYZYKGRQJT-UHFFFAOYSA-N","383042",NA,"PDBC15220","671033///684905","Present"
-"2-Amino-1-N,9-N-bis[10-(1H-imidazol-5-ylmethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-1-N,9-N-bis[10-(1H-imidazol-5-ylmethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxami","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)CC3=CN=CN3)C)C)C(C)C)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)CC9=CN=CN9)C)N)C","CFTOSEOAKWYLNM-UHFFFAOYSA-N","16129905",NA,"PDBC15221","671032","Present"
-"2-Amino-1-N,9-N-bis[10-[(4-hydroxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","NSC684901///NSC684902","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)CC3=CC=C(C=C3)O)C)C)C(C)C)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)CC9=CC=C(C=C9)O)C)N)C","SKGNMALTNGTDEC-UHFFFAOYSA-N","16129921",NA,"PDBC15222","684901///684902","Present"
-"2-Amino-1-N,9-N-bis[10-[(4-methoxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","NSC671035///NSC684908","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)CC3=CC=C(C=C3)OC)C)C)C(C)C)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)CC9=CC=C(C=C9)OC)C)N)C","FZAZHWMIBYMTGM-UHFFFAOYSA-N","16129907",NA,"PDBC15223","671035///684908","Present"
-"2-Amino-1-N,9-N-bis[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-1-N,9-N-bis[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","CC1C(C(=O)NC(C(=O)N2CC(CC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)O)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CC(CN7C(=O)C(NC6=O)C(C)C)O)C)C)C(C)C)C)N)C","QCMODBTXTMOEPO-UHFFFAOYSA-N","389208",NA,"PDBC15224","684904","Present"
-"2-Amino-1-N,9-N-bis[3-(1-hydroxyethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-1-N,9-N-bis[3-(1-hydroxyethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)O)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)O)C)C)C(C)C)C)N)C","VEYVVHQESYFSJE-UHFFFAOYSA-N","381654",NA,"PDBC15225","668476","Present"
-"2-Amino-1-N,9-N-bis[3-[(4-hydroxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-1-N,9-N-bis[3-[(4-hydroxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxam","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)CC3=CC=C(C=C3)O)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)CC9=CC=C(C=C9)O)C)C)C(C)C)C)N)C","YJIGBUQZEZSASL-UHFFFAOYSA-N","16129897",NA,"PDBC15226","668474","Present"
-"2-Amino-1-N,9-N-bis[3-[(4-methoxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-1-N,9-N-bis[3-[(4-methoxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxam","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)CC3=CC=C(C=C3)OC)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)CC9=CC=C(C=C9)OC)C)C)C(C)C)C)N)C","CMDXFGUFUFEHBG-UHFFFAOYSA-N","16129898",NA,"PDBC15227","668475","Present"
-"2-Amino-1-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Amino-1-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NNC(=NN)N.Cl","ZSCXJKTXFRSPRT-RZFZGDDESA-N","24204006",NA,"PDBC15228","730326","Present"
-"2-Amino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","2-Amino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethanone","","C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)C(=O)CN","QHLPGVZGKYWXFU-UHFFFAOYSA-N","403194",NA,"PDBC15229","717848","Present"
-"2-Amino-1-benzoyl-4-phenyl-pyrrole-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-1-benzoyl-4-phenyl-pyrrole-3-carbonitrile","","C1=CC=C(C=C1)C2=CN(C(=C2C#N)N)C(=O)C3=CC=CC=C3","VUINUZBIBFZPHN-UHFFFAOYSA-N","392114",NA,"PDBC15230","691986","Present"
-"2-Amino-1-benzyl-5-isobutyl-pyrrole-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-1-benzyl-5-isobutyl-pyrrole-3,4-dicarbonitrile","","CC(C)CC1=C(C(=C(N1CC2=CC=CC=C2)N)C#N)C#N","XOOVGZOPZCXMCG-UHFFFAOYSA-N","387735",NA,"PDBC15231","681764","Present"
-"2-Amino-1-benzyl-5-phenyl-1H-pyrrole-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-1-benzyl-5-phenyl-1H-pyrrole-3,4-dicarbonitrile","","C1=CC=C(C=C1)CN2C(=C(C(=C2N)C#N)C#N)C3=CC=CC=C3","MPUZNXZBEBNBMX-UHFFFAOYSA-N","387737",NA,"PDBC15232","681766","Present"
-"2-Amino-1-phenylpentan-1-one hydrochloride","","","","","","","","","","","","","","","","","","","","NE16993","","CCCC(C(=O)C1=CC=CC=C1)N.Cl","DIALNHDLZNSQHS-UHFFFAOYSA-N","54603733",NA,"PDBC15233","53146","Present"
-"2-Amino-10-(2-methoxyethyl)-6,7,8,10-tetrahydrobenzo[g]pteridin-4-ol","","","","","","","","","","","","","","","","","","","","2-Amino-10-(2-methoxyethyl)-6,7,8,10-tetrahydrobenzo[g]pteridin-4-ol","","COCCN1C2=CCCCC2=NC3=C1N=C(NC3=O)N","FRSSGJJSPUOPKO-UHFFFAOYSA-N","135429965",NA,"PDBC15234","628239","Present"
-"2-Amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-[1]benzothiepino[5,4-b]pyran-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-[1]benzothiepino[5,4-b]pyran-3-carbonitrile","","CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2OC(=C(C3C4=CC(=C(C(=C4)OC)OC)OC)C#N)N","UINNHOHVSPYUAV-UHFFFAOYSA-N","391889",NA,"PDBC15235","691570","Present"
-"2-Amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC(=C(C(=C4)OC)OC)OC)N)C#N","HKZFUXJJZSKDNY-UHFFFAOYSA-N","391899",NA,"PDBC15236","691580","Present"
-"2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC=CC=C4)N)C#N","UTZXAYUGRFUTPT-UHFFFAOYSA-N","391895",NA,"PDBC15237","691576","Present"
-"2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile","","CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C(C(=C(N=C32)N)C#N)C4=CC=CC=C4","CDEXZLLGCPPROD-UHFFFAOYSA-N","391890",NA,"PDBC15238","691571","Present"
-"2-Amino-12-phosphonododecanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-12-phosphonododecanoic acid","","C(CCCCCP(=O)(O)O)CCCCC(C(=O)O)N","UGHQIHAHHYECCO-UHFFFAOYSA-N","383686",NA,"PDBC15239","672106","Present"
-"2-Amino-2',3'-dideoxynebularine","","","","","","","","","","","","","","","","","","","","2-Amino-2',3'-dideoxynebularine","","C1CC(OC1CO)N2C=NC3=CN=C(N=C32)N","HXUIKBBUGWIQMV-UHFFFAOYSA-N","363761",NA,"PDBC15240","628953","Present"
-"2-Amino-2,4-diphenylbutanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-2,4-diphenylbutanoic acid","","C1=CC=C(C=C1)CCC(C2=CC=CC=C2)(C(=O)O)N","HDKPQSNBAWZWNW-UHFFFAOYSA-N","234093",NA,"PDBC15241","33389","Present"
-"2-Amino-2-[4-(benzyloxy)phenyl]ethanol","","","","","","","","","","","","","","","","","","","","KM4256","","C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CO)N","YWWWBFXZRQYHEV-UHFFFAOYSA-N","357737",NA,"PDBC15242","617256","Present"
-"2-Amino-2-[4-[10-[4-[amino(cyano)methyl]phenoxy]decoxy]phenyl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-2-[4-[10-[4-[amino(cyano)methyl]phenoxy]decoxy]phenyl]acetonitrile","","C1=CC(=CC=C1C(C#N)N)OCCCCCCCCCCOC2=CC=C(C=C2)C(C#N)N","HAUCJFOUGDOZIP-UHFFFAOYSA-N","387692",NA,"PDBC15243","681721","Present"
-"2-Amino-2-benzylbutanedioic acid;hydrobromide","","","","","","","","","","","","","","","","","","","","2-Amino-2-benzylbutanedioic acid;hydrobromide","","C1=CC=C(C=C1)CC(CC(=O)O)(C(=O)O)N.Br","BDFBLEPVFVVFJQ-UHFFFAOYSA-N","5351976",NA,"PDBC15244","117441","Present"
-"2-Amino-2-ethyl-3-methylbutanoic acid","","","","","","","","","","","","","","","","","","","","Valine, 2-ethyl-","","CCC(C(C)C)(C(=O)O)N","ZREHYDMEQQDRGS-UHFFFAOYSA-N","235534",NA,"PDBC15245","37018","Present"
-"2-Amino-2-oxoethyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","2-Amino-2-oxoethyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate","","C1=CSC2=NC(=C(N21)C(=O)OCC(=O)N)Cl","YZQSQMLTNNLOQX-UHFFFAOYSA-N","369513",NA,"PDBC15246","641293","Present"
-"2-Amino-2-phenylethanol","","","","","","","","","","","","","","","","","","","","2-Phenylglycinol","","C1=CC=C(C=C1)C(CO)N","IJXJGQCXFSSHNL-UHFFFAOYSA-N","92466",NA,"PDBC15247","617248","Present"
-"2-Amino-3,3a-diaza-3aH-cyclopent[a]azulene-1-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 4-amino-2,3-diazatricyclo[6.5.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-5-carboxylate","","CCOC(=O)C1=C2C=C3C=CC=CC=C3N2N=C1N","WCFDWPWESRQLJP-UHFFFAOYSA-N","397379",NA,"PDBC15248","705086","Present"
-"2-Amino-3,5-dinitrobenzonitrile","","","","","","","","","","","","","","","","","","","","Benzonitrile, 2-amino-3,5-dinitro- (9CI)","","C1=C(C=C(C(=C1C#N)N)[N+](=O)[O-])[N+](=O)[O-]","RIYSFSQPHCAGLS-UHFFFAOYSA-N","89765",NA,"PDBC15249","510656","Present"
-"2-Amino-3-(2-iodo-1H-imidazol-5-yl)propanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Amino-3-(2-iodo-1H-imidazol-5-yl)propanoic acid;hydrochloride","","C1=C(NC(=N1)I)CC(C(=O)O)N.Cl","VKACKWXQDNNZNK-UHFFFAOYSA-N","402578",NA,"PDBC15250","716706","Present"
-"2-Amino-3-(2H-tetrazol-5-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(1H-tetraazol-5-yl)alanine","","C(C1=NNN=N1)C(C(=O)O)N","UHDMAEPGMOIEHH-UHFFFAOYSA-N","299876",NA,"PDBC15251","173723","Present"
-"2-Amino-3-(3,4-bis(benzyloxy)-2-(hydroxy(oxido)amino)phenyl)acrylic acid","","","","","","","","","","","","","","","","","","","","2-Amino-3-(3,4-bis(benzyloxy)-2-(hydroxy(oxido)amino)phenyl)acrylic acid","","C1=CC=C(C=C1)COC2=C(C(=C(C=C2)C=C(C(=O)O)N)[N+](=O)[O-])OCC3=CC=CC=C3","YJMUVEHAOQERPK-UYRXBGFRSA-N","5387849",NA,"PDBC15252","628306","Present"
-"2-Amino-3-(3,4-dimethoxybenzylaminomethyleneamino)maleonitrile","","","","","","","","","","","","","","","","","","","","NSC670239","","COC1=C(C=C(C=C1)CN=CNC(=C(C#N)N)C#N)OC","NQZKMLVSOQVUEJ-QXMHVHEDSA-N","5468433",NA,"PDBC15253","670239","Present"
-"2-Amino-3-(3-nitrophenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","AK-87844","","C1=CC(=CC(=C1)[N+](=O)[O-])CC(C(=O)O)N","YTHDRUZHNYKZGF-UHFFFAOYSA-N","228814",NA,"PDBC15254","21948","Present"
-"2-Amino-3-(4-chlorophenyl)-4-fluoro-1-naphthonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-3-(4-chlorophenyl)-4-fluoronaphthalene-1-carbonitrile","","C1=CC=C2C(=C1)C(=C(C(=C2F)C3=CC=C(C=C3)Cl)N)C#N","CDBULKDEAOUJKR-UHFFFAOYSA-N","388630",NA,"PDBC15255","683641","Present"
-"2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","itir","","C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N","NYPYHUZRZVSYKL-UHFFFAOYSA-N","6181",NA,"PDBC15256","208959","Present"
-"2-Amino-3-(4-hydroxyanilino)propanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Amino-3-(4-hydroxyanilino)propanoic acid;hydrochloride","","C1=CC(=CC=C1NCC(C(=O)O)N)O.Cl","JMHWWDULOHKOFJ-UHFFFAOYSA-N","24199598",NA,"PDBC15257","337779","Present"
-"2-Amino-3-(4-methanesulfonamidophenyl)-5-phenylbenzamide","","","","","","","","","","","","","","","","","","","","GSK586581A","","CS(=O)(=O)NC1=CC=C(C=C1)C2=C(C(=CC(=C2)C3=CC=CC=C3)C(=O)N)N","WGNQUKSMRNUEGI-UHFFFAOYSA-N","16048194",NA,"PDBC15258","756180","Present"
-"2-Amino-3-(5-hydroxy-2-pyridinyl)propanamide","","","","","","","","","","","","","","","","","","","","2-Amino-3-(5-hydroxy-2-pyridinyl)propanamide","","C1=CC(=NC=C1O)CC(C(=O)N)N","YYKSPECTEPGNCJ-UHFFFAOYSA-N","385336",NA,"PDBC15259","676453","Present"
-"2-Amino-3-(5-phenylmethoxypyridin-2-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(5-(Benzyloxy)-2-pyridinyl)alanine","","C1=CC=C(C=C1)COC2=CN=C(C=C2)CC(C(=O)O)N","JBOGYXJLBXWFIA-UHFFFAOYSA-N","385339",NA,"PDBC15260","676457","Present"
-"2-Amino-3-(6-nitro-1H-indol-3-yl)propanoic acid; nitric acid","","","","","","","","","","","","","","","","","","","","2-Amino-3-(6-nitro-1H-indol-3-yl)propanoic acid; nitric acid","","C1=CC2=C(C=C1[N+](=O)[O-])NC=C2CC(C(=O)O)N.[N+](=O)(O)[O-]","XYWHWMVYUNUULH-UHFFFAOYSA-N","5351855",NA,"PDBC15261","65763","Present"
-"2-Amino-3-(methylsulfanylmethylsulfanyl)propan-1-ol;(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-3-(methylsulfanylmethylsulfanyl)propan-1-ol;(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid","","CC1=C(C(=O)NC(=O)N1)C=CC(=O)O.CSCSCC(CO)N","KJMPAVJPAJIYLI-SQQVDAMQSA-N","5383636",NA,"PDBC15262","177935","Present"
-"2-Amino-3-(p-chlorophenylsulfonyl)-4,5-dimethylfuran","","","","","","","","","","","","","","","","","","","","2-Amino-3-(p-chlorophenylsulfonyl)-4,5-dimethylfuran","","CC1=C(OC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)N)C","SDDOQDBWKMJJBA-UHFFFAOYSA-N","393682",NA,"PDBC15263","696058","Present"
-"2-Amino-3-(pyridazin-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-Pyridazinealanine","","C1=CC(=NN=C1)CC(C(=O)O)N","BGMINVIHGGTWEC-UHFFFAOYSA-N","258955",NA,"PDBC15264","88418","Present"
-"2-Amino-3-[(2-amino-3-oxo-3-prop-2-ynoxypropyl)disulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-3-[(2-amino-3-oxo-3-prop-2-ynoxypropyl)disulfanyl]propanoic acid","","C#CCOC(=O)C(CSSCC(C(=O)O)N)N","CJEMQWXFMIWIHU-UHFFFAOYSA-N","387277",NA,"PDBC15265","680928","Present"
-"2-Amino-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","Alanine, 3-[(.alpha.,.alpha.-diphenylpiperonyl)thio]-, L-","","C1OC2=C(O1)C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)SCC(C(=O)O)N","GOAVOFCRODIGFE-UHFFFAOYSA-N","281457",NA,"PDBC15266","134250","Present"
-"2-Amino-3-[2-(phosphonomethyl)phenyl]propanoic acid","","","","","","","","","","","","","","","","","","","","phosphonometh-ylene phenylalanine","","C1=CC=C(C(=C1)CC(C(=O)O)N)CP(=O)(O)O","MRGUIJVNFRTRSF-UHFFFAOYSA-N","383689",NA,"PDBC15267","672109","Present"
-"2-Amino-3-[4-(diaminomethylideneamino)phenyl]propanoic acid;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","2-Amino-3-(4-guanidinophenyl)propanoic acid; 2,2,2-trifluoroacetic acid","","C1=CC(=CC=C1CC(C(=O)O)N)N=C(N)N.C(=O)(C(F)(F)F)O","MVIVGVILDDAMMT-UHFFFAOYSA-N","388721",NA,"PDBC15268","683778","Present"
-"2-Amino-3-[4-(phosphonomethyl)phenyl]propanoic acid","","","","","","","","","","","","","","","","","","","","STL526507","","C1=CC(=CC=C1CC(C(=O)O)N)CP(=O)(O)O","SAQLLHDEEMZENJ-UHFFFAOYSA-N","383690",NA,"PDBC15269","672110","Present"
-"2-Amino-3-[[4-[4-[[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]benzoyl]phenyl]methylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","2-amino-3-[[4-[4-[[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]benzoyl]phenyl]methylsulfanyl]propanoic acid","","C1CN(CCN1CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)CC5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)CSCC(C(=O)O)N","YUBQXCPUKVAUCZ-UHFFFAOYSA-N","386760",NA,"PDBC15270","679439","Present"
-"2-Amino-3-[hexadecoxy(hydroxy)phosphoryl]oxypropanoic acid;azane","","","","","","","","","","","","","","","","","","","","NSC669257","","CCCCCCCCCCCCCCCCOP(=O)(O)OCC(C(=O)O)N.N","FSCKERFULWXNGK-UHFFFAOYSA-N","381936",NA,"PDBC15271","669257","Present"
-"2-Amino-3-[hexadecyl(hydroxy)phosphoryl]oxypropanoic acid;azane","","","","","","","","","","","","","","","","","","","","NSC669265","","CCCCCCCCCCCCCCCCP(=O)(O)OCC(C(=O)O)N.N","ONCIVIPVSASHFJ-UHFFFAOYSA-N","381952",NA,"PDBC15272","669265","Present"
-"2-Amino-3-anthracen-9-ylpropanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC666515","","C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(C(=O)O)N.Cl","MMZZUNBMDQQUDS-UHFFFAOYSA-N","380795",NA,"PDBC15273","666515","Present"
-"2-Amino-3-benzothiazol-2-yl-1-(2,4-dichlorophenyl)-2-pyrrolin-4-one","","","","","","","","","","","","","","","","","","","","5-amino-4-(1,3-benzothiazol-2-yl)-1-(2,4-dichlorophenyl)...","","C1C(=C(C(=N)N1C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3)O","SNCZUICERNCZEJ-UHFFFAOYSA-N","135417075",NA,"PDBC15274","732966","Present"
-"2-Amino-3-benzylsulfanyl-3-methylbutanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC28059","","CC(C)(C(C(=O)O)N)SCC1=CC=CC=C1.Cl","TWPMSVWXNKQWGL-UHFFFAOYSA-N","20337697",NA,"PDBC15275","28059","Present"
-"2-Amino-3-benzylsulfanylpropanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC43125","","C1=CC=C(C=C1)CSCC(C(=O)O)N.Cl","GPSDMSOGJZNLFX-UHFFFAOYSA-N","54605496",NA,"PDBC15276","43125","Present"
-"2-Amino-3-bromo-5H-phenanthridin-6-one","","","","","","","","","","","","","","","","","","","","2-Amino-3-bromophenanthridin-6(5h)-one","","C1=CC=C2C(=C1)C3=CC(=C(C=C3NC2=O)Br)N","JUWATXLBBNLMDU-UHFFFAOYSA-N","271216",NA,"PDBC15277","114658","Present"
-"2-Amino-3-cyano-5,6-dihydro-4-(4-methylphenyl)[1]benzothiepino[5,4-b]pyridine 7,7-dioxide","","","","","","","","","","","","","","","","","","","","2-Amino-3-cyano-5,6-dihydro-4-(4-methylphenyl)[1]benzothiepino[5,4-b]pyridine 7,7-dioxide","","CC1=CC=C(C=C1)C2=C3CCS(=O)(=O)C4=CC=CC=C4C3=NC(=C2C#N)N","PLAPUURTMRPLSM-UHFFFAOYSA-N","391893",NA,"PDBC15278","691574","Present"
-"2-Amino-3-hydroxy-1H-phenalen-1-one","","","","","","","","","","","","","","","","","","","","2-Amino-3-hydroxy-1H-phenalen-1-one","","C1=CC2=C3C(=C1)C(=C(C(=O)C3=CC=C2)N)O","LFWCWFKXKIEFLZ-UHFFFAOYSA-N","363036",NA,"PDBC15279","627580","Present"
-"2-Amino-3-hydroxy-4,6-dimethylbenzoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-3-hydroxy-4,6-dimethylbenzoic acid","","CC1=CC(=C(C(=C1C(=O)O)N)O)C","UFBPBVLZFSWYOH-UHFFFAOYSA-N","362109",NA,"PDBC15280","625638","Present"
-"2-Amino-3-methyl-2-phenylbutanoic acid","","","","","","","","","","","","","","","","","","","","2-phenylvaline","","CC(C)C(C1=CC=CC=C1)(C(=O)O)N","XAWIYXBFKANEFM-UHFFFAOYSA-N","242852",NA,"PDBC15281","51810","Present"
-"2-Amino-3-nitrobenzoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 3-nitroanthranilate","","CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N","MIVXXTKDCKQHCD-UHFFFAOYSA-N","393670",NA,"PDBC15282","696044","Present"
-"2-Amino-3-phenyl-5-(pyridin-4-yl)benzamide","","","","","","","","","","","","","","","","","","","","GSK625137A","","C1=CC=C(C=C1)C2=C(C(=CC(=C2)C3=CC=NC=C3)C(=O)N)N","KDDJEKWJEFRYAO-UHFFFAOYSA-N","16048415",NA,"PDBC15283","756185","Present"
-"2-Amino-3-phosphonopropionic acid","","","","","","","","","","","","","","","","","","","","NSC133887","","C(C(C(=O)O)N)P(=O)(O)O","LBTABPSJONFLPO-UHFFFAOYSA-N","3857",NA,"PDBC15284","133887","Present"
-"2-Amino-3-tosylthiophene","","","","","","","","","","","","","","","","","","","","2-Thiophenamine, 3-[(4-methylphenyl)sulfonyl]-","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)N","PRMUNYNCJVLDDI-UHFFFAOYSA-N","487030",NA,"PDBC15285","764699","Present"
-"2-Amino-3-{[9-(4-chlorophenyl)-9H-fluoren-9-yl]sulfanyl}propanoic acid","","","","","","","","","","","","","","","","","","","","2-amino-3-{[9-(4-chlorophenyl)-9H-fluoren-9-yl]sulfanyl}...","","C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)SCC(C(=O)O)N","BZRSNJXOHYRQSB-UHFFFAOYSA-N","276215",NA,"PDBC15286","123526","Present"
-"2-Amino-3H-phenoxazin-3-one","","","","","","","","","","","","","","","","","","","","Questiomycin A","","C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N","RDJXPXHQENRCNG-UHFFFAOYSA-N","72725",NA,"PDBC15287","94945","Present"
-"2-Amino-4(3,5-trimethyl-2-pyrazolino)-6-(2-imino-2H-chrome n-3-yl)-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2-amino-4(3,5,5-trimethyl-2-pyrazolino)-6-(2-imino-2H-ch...","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C3=CC4=CC=CC=C4OC3=N","AZYCYICZXUILFM-UHFFFAOYSA-N","404408",NA,"PDBC15288","720624","Present"
-"2-Amino-4,4-diethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4,4-diethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile","","CCOC1(C2(C(C23C(=NN(C3=O)C(C)C)C)(C(=N1)N)C#N)C#N)OCC","PDLDYFLRDISGBV-UHFFFAOYSA-N","395675",NA,"PDBC15289","700457","Present"
-"2-Amino-4,4-dimethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4,4-dimethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile","","CC1=NN(C(=O)C12C3(C2(C(N=C3N)(OC)OC)C#N)C#N)C(C)C","QSNWLKKGYGFRDD-UHFFFAOYSA-N","395677",NA,"PDBC15290","700459","Present"
-"2-Amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide","","CC1C(C(=O)NC(C(=O)N2CC(=O)CC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CC(=O)CN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C","YIZWQZWOZWUCAF-UHFFFAOYSA-N","389207",NA,"PDBC15291","684903","Present"
-"2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde oxime","","","","","","","","","","","","","","","","","","","","[1-[[[2-Amino-5-[(E)-hydroxyiminomethyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclobutyl]methanol","","C1C(CC1(CNC2=NC(=NC=C2C=NO)N)CO)CCC3=CC=CC=C3","KIVFUQCQDIUXCF-FOKLQQMPSA-N","9571514",NA,"PDBC15292","676318","Present"
-"2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbonitrile","","C1C(CC1(CNC2=NC(=NC=C2C#N)N)CO)CCC3=CC=CC=C3","WBDGIJDTEFRZGO-UHFFFAOYSA-N","385200",NA,"PDBC15293","676314","Present"
-"2-Amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile","","CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC=CC=C3","MRICSKKXUHABEX-UHFFFAOYSA-N","3355365",NA,"PDBC15294","735023","Present"
-"2-Amino-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyridine-3-carbonitrile","","CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC=CS3","WIKWYPXMLGXRIS-UHFFFAOYSA-N","24205319",NA,"PDBC15295","735026","Present"
-"2-Amino-4-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenol","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenol","","C1CC(C2=C(C1)C3=CC=CC=C3N2)C4=CC(=C(C=C4)O)N","VYACWSLTOLRITQ-UHFFFAOYSA-N","396623",NA,"PDBC15296","703122","Present"
-"2-Amino-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(dimethylamino)-4H-chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2,3-dihydrobenzofuran-5-yl)-7-(dimethylamino)...","","CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCC4","FURBAIGAMDGGQK-UHFFFAOYSA-N","155810515",NA,"PDBC15297","787853","Present"
-"2-Amino-4-(2,4-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2,4-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=C(C=C(C=C3)Cl)Cl)C#N","GMYXGLNWLZPYRO-UHFFFAOYSA-N","24205399",NA,"PDBC15298","735367","Present"
-"2-Amino-4-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","COC1=CC(=C(C=C1)OC)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N","GPAPNEQMWXTJCF-UHFFFAOYSA-N","24205479",NA,"PDBC15299","736017","Present"
-"2-Amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=C(C=CC=C3Cl)Cl)C#N","ANYQIERYTIYGGT-UHFFFAOYSA-N","16721101",NA,"PDBC15300","736022","Present"
-"2-Amino-4-(2-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3Cl)C#N","UQZMPJFSOLDTGW-UHFFFAOYSA-N","24205398",NA,"PDBC15301","735366","Present"
-"2-Amino-4-(2-fluoroethylsulfanyl)butanoic acid","","","","","","","","","","","","","","","","","","","","S-(2-Fluoroethyl)homocysteine","","C(CSCCF)C(C(=O)O)N","CSFLEMJGXABSEB-UHFFFAOYSA-N","369088",NA,"PDBC15302","640645","Present"
-"2-Amino-4-(2-furyl)-3-[4-(2-oxochromen-3-yl)thiazol-2-yl]-4H-pyrano[3,2-c]chromen-5-one","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2-furyl)-3-[4-(2-oxochromen-3-yl)thiazol-2-yl]-4H-pyrano[3,2-c]chromen-5-one","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=C(OC5=C(C4C6=CC=CO6)C(=O)OC7=CC=CC=C75)N","ZTPBPUHDGMUMBZ-UHFFFAOYSA-N","380522",NA,"PDBC15303","666136","Present"
-"2-Amino-4-(2-hydroxy-4-benzyloxy)phenyl-6-phenyl pyrimidine","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2-hydroxy-4-benzyloxy)phenyl-6-phenyl pyrimidine","","C1=CC=C(C=C1)COC2=CC(=C(C=C2)C3=NC(=NC(=C3)C4=CC=CC=C4)N)O","ZRAUXVNABAJBBZ-UHFFFAOYSA-N","396353",NA,"PDBC15304","702157","Present"
-"2-Amino-4-(2-hydroxy-4-methylphenyl)-5-phenylpyrimidine","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2-hydroxy-4-methylphenyl)-5-phenylpyrimidine","","CC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N)O","GWEZZAKETCTQQW-UHFFFAOYSA-N","392744",NA,"PDBC15305","693547","Present"
-"2-Amino-4-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-4-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-...","","COC1=CC=CC=C1C2C(=C(OC3=C2C(=O)CCC3)N)C#N","JULYGUIJHXRQJF-UHFFFAOYSA-N","3155404",NA,"PDBC15306","737794","Present"
-"2-Amino-4-(2-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile","","COC1=CC=CC=C1C2=C(C(=S)NC(=C2C#N)N)C#N","CDVAJLNDUGZHDJ-UHFFFAOYSA-N","5471622",NA,"PDBC15307","712233","Present"
-"2-Amino-4-(2-phosphonoethoxy)butanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2-phosphonoethoxy)butanoic acid","","C(COCCP(=O)(O)O)C(C(=O)O)N","HXZOETVUSMRLBL-UHFFFAOYSA-N","383687",NA,"PDBC15308","672107","Present"
-"2-Amino-4-(2-{[2-(3-amino-3-carboxy-propoxy)-ethyl]-hydroxy-phosphinoyl}-ethoxy)-butyric acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-(2-{[2-(3-amino-3-carboxy-propoxy)-ethyl]-hydroxy-phosphinoyl}-ethoxy)-butyric acid","","C(COCCP(=O)(CCOCCC(C(=O)O)N)O)C(C(=O)O)N","YFAZENOPUOGDST-UHFFFAOYSA-N","383694",NA,"PDBC15309","672114","Present"
-"2-Amino-4-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrano[3,2-c]chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrano[5,6-c]chromene-3-carbonitrile","","COC1=CC(=CC(=C1OC)OC)C2=C(C(OC3=C2COC4=CC=CC=C43)N)C#N","XXIXKHXWHRNPMV-UHFFFAOYSA-N","399089",NA,"PDBC15310","709505","Present"
-"2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile","","COC1=CC(=CC(=C1O)O)C=C(C#N)C(=C(C#N)C#N)N","CFTKDBCVQAYOLY-XNWCZRBMSA-N","5328808",NA,"PDBC15311","650565","Present"
-"2-Amino-4-(3,4-dimethoxyphenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3,4-dimethoxyphenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile","","CCC1=CC=CC=C1N2C(=C(C(=C(C2=O)C#N)C3=CC(=C(C=C3)OC)OC)C#N)N","CAKMKRNPAUFXFY-UHFFFAOYSA-N","54612904",NA,"PDBC15312","749717","Present"
-"2-Amino-4-(3,4-dimethoxyphenyl)-10-methyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","","","","","","","","","","","","","","","","","","","[1]Benzothiepino[4,5-c]pyridine-1-carbonitrile, 2-amino-...","","CC1=CC2=C(C=C1)SCCC3=C2C(=C(N=C3C4=CC(=C(C=C4)OC)OC)N)C#N","DBDLXFVQIGKEFV-UHFFFAOYSA-N","391881",NA,"PDBC15313","691562","Present"
-"2-Amino-4-(3,4-dimethoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-4-(3,4-dimethoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC(=C(C=C4)OC)OC)N)C#N","WQDCLENFFBYQPF-UHFFFAOYSA-N","391898",NA,"PDBC15314","691579","Present"
-"2-Amino-4-(3-bromo-4,5-dihydroxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3-bromo-4,5-dihydroxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile","","C1=C(C=C(C(=C1O)O)Br)C=C(C#N)C(=C(C#N)C#N)N","RMDQRGMZCBNAHG-UNXLUWIOSA-N","5328809",NA,"PDBC15315","650564","Present"
-"2-Amino-4-(3-bromophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3-bromophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile","","CC1=CC(=C(C=C1)O)C2=NC(=C(C(=C2)C3=CC(=CC=C3)Br)C#N)N","RQJBOJZLTLILPA-UHFFFAOYSA-N","403649",NA,"PDBC15316","718717","Present"
-"2-Amino-4-(3-bromophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3-bromophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile","","C1=CC(=CC(=C1)Br)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)Cl","RSHHUCBDVMEWED-UHFFFAOYSA-N","403648",NA,"PDBC15317","718716","Present"
-"2-Amino-4-(3-chlorophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3-chlorophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile","","CC1=CC(=C(C=C1)O)C2=NC(=C(C(=C2)C3=CC(=CC=C3)Cl)C#N)N","FPHNUENIJGFUFB-UHFFFAOYSA-N","403637",NA,"PDBC15318","718705","Present"
-"2-Amino-4-(3-chlorophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3-chlorophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile","","C1=CC(=CC(=C1)Cl)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)Cl","PJEZIDRRUAJDPV-UHFFFAOYSA-N","403636",NA,"PDBC15319","718704","Present"
-"2-Amino-4-(3-hydroxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3-hydroxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)O)C#N","SWGZNEVMZZMMLK-UHFFFAOYSA-N","24205400",NA,"PDBC15320","735368","Present"
-"2-Amino-4-(3-methoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-4-(3-methoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC(=CC=C4)OC)N)C#N","HFFQBKPMGSAMCX-UHFFFAOYSA-N","391896",NA,"PDBC15321","691577","Present"
-"2-Amino-4-(3-methoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-3-cyano-5,6-dihydro-4-(3-methoxyphenyl)-10-methyl[1]benzothiepino[5,4-b]pyridine 7,7-dioxide","","CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C(C(=C(N=C32)N)C#N)C4=CC(=CC=C4)OC","PFBYSYPVPWOQOF-UHFFFAOYSA-N","391891",NA,"PDBC15322","691572","Present"
-"2-Amino-4-(4-(2-methoxyphenyl)-1,3-thiazol-2-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-(2-methoxyphenyl)-1,3-thiazol-2-yl)butanoic acid","","COC1=CC=CC=C1C2=CSC(=N2)CCC(C(=O)O)N","XIVSAXZSRNYBPH-UHFFFAOYSA-N","363918",NA,"PDBC15323","629307","Present"
-"2-Amino-4-(4-(4-chlorophenyl)-1,3-thiazol-2-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-(4-chlorophenyl)-1,3-thiazol-2-yl)butanoic acid","","C1=CC(=CC=C1C2=CSC(=N2)CCC(C(=O)O)N)Cl","NSQBRJKZQPANCA-UHFFFAOYSA-N","363917",NA,"PDBC15324","629306","Present"
-"2-Amino-4-(4-amino-3-hydroxyphenyl)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-amino-3-hydroxyphenyl)-4-oxobutanoic acid","","C1=CC(=C(C=C1C(=O)CC(C(=O)O)N)O)N","KMHNEIZAFDEMFS-UHFFFAOYSA-N","272022",NA,"PDBC15325","116064","Present"
-"2-Amino-4-(4-bromophenyl)-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-bromophenyl)-4h,5h-thiochromeno[4,3-b]pyran-3-carbonitrile","","C1C2=C(C3=CC=CC=C3S1)OC(=C(C2C4=CC=C(C=C4)Br)C#N)N","BIZRZGQDRYKZON-UHFFFAOYSA-N","403888",NA,"PDBC15326","719472","Present"
-"2-Amino-4-(4-bromophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbothioamide","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-bromophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbothioamide","","C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C(=S)N)C4=CC=C(C=C4)Br)C(=O)O2","IJQQZLKNYUBSBS-UHFFFAOYSA-N","3000695",NA,"PDBC15327","666133","Present"
-"2-Amino-4-(4-bromophenyl)-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-bromophenyl)-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile","","C1C2=C(C(=C(N=C2C3=CC=CC=C3S1)N)C#N)C4=CC=C(C=C4)Br","FGOZPTYFVGCLDW-UHFFFAOYSA-N","403887",NA,"PDBC15328","719471","Present"
-"2-Amino-4-(4-bromophenyl)-7,7-dimethyl-3-(4-phenyl-1,3-thiazol-2-yl)-4,6,7,8-tetrahydro-5H-chromen-5-one","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-bromophenyl)-7,7-dimethyl-3-(4-phenylthiazol-2-yl)-6,8-dihydro-4H-chromen-5-one","","CC1(CC2=C(C(C(=C(O2)N)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=C(C=C5)Br)C(=O)C1)C","ATHBFDFSEKWPMV-UHFFFAOYSA-N","380518",NA,"PDBC15329","666132","Present"
-"2-Amino-4-(4-chlorophenyl)-10-methyl-5,6-dihydro[1]benzothiepino[4,5-c]pyridine-1-carbonitrile 7,7-dioxide","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-chlorophenyl)-10-methyl-5,6-dihydro[1]benzothiepino[4,5-c]pyridine-1-carbonitrile 7,7-dioxide","","CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC=C(C=C4)Cl)N)C#N","ICFPVRKMJQKYNY-UHFFFAOYSA-N","391897",NA,"PDBC15330","691578","Present"
-"2-Amino-4-(4-chlorophenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-4-(4-chlorophenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile","","CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C(C(=C(N=C32)N)C#N)C4=CC=C(C=C4)Cl","KLQUWHRFSVSGAU-UHFFFAOYSA-N","391892",NA,"PDBC15331","691573","Present"
-"2-Amino-4-(4-chlorophenyl)-6-(2-aminophenylthio)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(2-aminophenyl)sulfanyl-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile","","C1=CC=C(C(=C1)N)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N","RWJFELALMUYKGK-UHFFFAOYSA-N","395920",NA,"PDBC15332","701015","Present"
-"2-Amino-4-(4-chlorophenyl)-6-[4-[(7-chloroquinolin-4-yl)amino]phenyl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-chlorophenyl)-6-[4-[(7-chloro-4-quinolyl)amino]phenyl]pyridine-3-carbonitrile","","C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)N)NC4=C5C=CC(=CC5=NC=C4)Cl","ZUJULRAQZYOOSO-UHFFFAOYSA-N","396047",NA,"PDBC15333","701374","Present"
-"2-Amino-4-(4-chlorophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-chlorophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile","","C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)N)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F","ZKNPLNOOMLEKKX-UHFFFAOYSA-N","396055",NA,"PDBC15334","701382","Present"
-"2-Amino-4-(4-chlorophenyl)-6-morpholinopyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N","DETBPYKKSBZMFZ-UHFFFAOYSA-N","24205401",NA,"PDBC15335","735369","Present"
-"2-Amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-3-ylethylideneamino]pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-3-ylethylideneamino]pyridine-3,5-dicarbonitrile","","CC(=NN1C(=C(C(=C(C1=O)C#N)C2=CC=C(C=C2)Cl)C#N)N)C3=CN=CC=C3","PUZDFLZNJZXOKP-RPPGKUMJSA-N","11696754",NA,"PDBC15336","734789","Present"
-"2-Amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile","","CC(=NN1C(=C(C(=C(C1=O)C#N)C2=CC=C(C=C2)Cl)C#N)N)C3=CC=NC=C3","LTUXUHKNXSJGLQ-RPPGKUMJSA-N","11516616",NA,"PDBC15337","734788","Present"
-"2-Amino-4-(4-chlorophenyl)-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-chlorophenyl)-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile","","C1CS(=O)(=O)C2=CC=CC=C2C3=C1C(=NC(=C3C#N)N)C4=CC=C(C=C4)Cl","FWDKOPAYGFJDEM-UHFFFAOYSA-N","391888",NA,"PDBC15338","691569","Present"
-"2-Amino-4-(4-dimethylaminophenyl)-6-sulfanyl-pyridine-3,5-dicarbonitrile; morpholine","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-dimethylaminophenyl)-6-sulfanyl-pyridine-3,5-dicarbonitrile; morpholine","","CN(C)C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N.C1COCCN1","DVYLNFLMDCURGK-UHFFFAOYSA-N","3005693",NA,"PDBC15339","666138","Present"
-"2-Amino-4-(4-hydroxyphenyl)-6-thiomorpholin-4-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-hydroxyphenyl)-6-thiomorpholin-4-ylpyridine-3,5-dicarbonitrile","","C1CSCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)O)C#N","ROYOEKXTTUODAA-UHFFFAOYSA-N","135580425",NA,"PDBC15340","737052","Present"
-"2-Amino-4-(4-methoxynaphthalen-1-yl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-methoxynaphthalen-1-yl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile","","COC1=CC=C(C2=CC=CC=C21)C3=CC(=NC(=C3C#N)N)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F","LPWIZSKSAKBHAM-UHFFFAOYSA-N","396058",NA,"PDBC15341","701385","Present"
-"2-Amino-4-(4-methoxyphenyl)-6-(2-aminophenylthio)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(2-aminophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile","","COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3N)N)C#N","JGWIFBXETKVSCO-UHFFFAOYSA-N","395923",NA,"PDBC15342","701018","Present"
-"2-Amino-4-(4-methoxyphenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-methoxyphenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile","","COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F","UYWPQCPEYPUKEV-UHFFFAOYSA-N","396057",NA,"PDBC15343","701384","Present"
-"2-Amino-4-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N","PGRIQJCMNMMQNZ-UHFFFAOYSA-N","24205481",NA,"PDBC15344","736019","Present"
-"2-Amino-4-(4-methoxyphenyl)-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-methoxyphenyl)-6-sulfanylidene-1-(3,4,5-trihydroxyoxan-2-yl)pyridine-3,5-dicarbonitrile","","COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(CO3)O)O)O)C#N","MSADRBPTGSPSRW-UHFFFAOYSA-N","3005162",NA,"PDBC15345","678079","Present"
-"2-Amino-4-(4-methoxyphenyl)-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","NSC678062///NSC678067","","COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(C(O3)CO)O)O)O)C#N","POBZZJDAVXKLIA-UHFFFAOYSA-N","3005861",NA,"PDBC15346","678062///678067","Present"
-"2-Amino-4-(4-methoxyphenyl)-7,7-dioxo-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-methoxyphenyl)-7,7-dioxo-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile","","COC1=CC=C(C=C1)C2=C3CCS(=O)(=O)C4=CC=CC=C4C3=NC(=C2C#N)N","GKUDKCUNCIVKGN-UHFFFAOYSA-N","391894",NA,"PDBC15347","691575","Present"
-"2-Amino-4-(4-methyl-1,3-thiazol-2-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-methyl-1,3-thiazol-2-yl)butanoic acid","","CC1=CSC(=N1)CCC(C(=O)O)N","XCHJHYALMUPRGY-UHFFFAOYSA-N","363603",NA,"PDBC15348","628598","Present"
-"2-Amino-4-(4-methylphenyl)-2,5-dihydropyrano[3,2-c]chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(p-tolyl)-2,5-dihydropyrano[5,6-c]chromene-3-carbonitrile","","CC1=CC=C(C=C1)C2=C(C(OC3=C2COC4=CC=CC=C43)N)C#N","ZIIDTTNNPHUGIN-UHFFFAOYSA-N","399088",NA,"PDBC15349","709504","Present"
-"2-Amino-4-(4-nitrophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-nitrophenyl)-6-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]pyridine-3-carbonitrile","","C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F","IKDDSIVWLPUDKP-UHFFFAOYSA-N","396056",NA,"PDBC15350","701383","Present"
-"2-Amino-4-(4-phenyl-1,3-thiazol-2-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-phenyl-1,3-thiazol-2-yl)butanoic acid","","C1=CC=C(C=C1)C2=CSC(=N2)CCC(C(=O)O)N","ONQUEBIEVDJXIU-UHFFFAOYSA-N","363604",NA,"PDBC15351","628599","Present"
-"2-Amino-4-(5-methylfuran-2-yl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(5-methylfuran-2-yl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile","","CC1=CC=C(O1)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N","XUWOAKPBXLKUPS-UHFFFAOYSA-N","24205478",NA,"PDBC15352","736016","Present"
-"2-Amino-4-(5-phenyl-1,3-thiazol-2-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-(5-phenyl-1,3-thiazol-2-yl)butanoic acid","","C1=CC=C(C=C1)C2=CN=C(S2)CCC(C(=O)O)N","GGPSBRIYYBJXML-UHFFFAOYSA-N","363605",NA,"PDBC15353","628600","Present"
-"2-Amino-4-(6-bromo-2-chloroquinolin-3-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(6-bromo-2-chloroquinolin-3-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile","","COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)C#N)N","HOTRFOMABOMFGM-UHFFFAOYSA-N","402210",NA,"PDBC15354","716101","Present"
-"2-Amino-4-(6-chloro-2-oxochromen-4-yl)-4H-benzo[h]chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-4-(6-chloro-2-oxo-2H-chromen-4-yl)-4H-benzo[h]ch...","","C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC(=O)OC5=C4C=C(C=C5)Cl)C#N)N","JDXVDBZXQFSPTP-UHFFFAOYSA-N","155810447",NA,"PDBC15355","794655","Present"
-"2-Amino-4-(7-methyl-2-oxochromen-4-yl)-4H-benzo[g]chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-4-(7-methyl-2-oxo-2H-chromen-4-yl)-4H-benzo[g]ch...","","CC1=CC2=C(C=C1)C(=CC(=O)O2)C3C4=CC5=CC=CC=C5C=C4OC(=C3C#N)N","SKEUMCXFAQOTRG-UHFFFAOYSA-N","155814836",NA,"PDBC15356","794658","Present"
-"2-Amino-4-(butylsulfinyl)butanoic acid","","","","","","","","","","","","","","","","","","","","D,L-Buthionine Sulfoxide","","CCCCS(=O)CCC(C(=O)O)N","KOGSTWSVCBVYHO-UHFFFAOYSA-N","353382",NA,"PDBC15357","601361","Present"
-"2-Amino-4-(difluoromethylsulfanyl)butanoic acid","","","","","","","","","","","","","","","","","","","","L-difluoromethylhomocysteine","","C(CSC(F)F)C(C(=O)O)N","YHBNXKYHZMAFED-UHFFFAOYSA-N","360816",NA,"PDBC15358","623233","Present"
-"2-Amino-4-(p-chlorophenoxy)-6-chloropyrimidine","","","","","","","","","","","","","","","","","","","","TimTec1_004711","","C1=CC(=CC=C1OC2=CC(=NC(=N2)N)Cl)Cl","JDTQJRVXTNCSJN-UHFFFAOYSA-N","389506",NA,"PDBC15359","685792","Present"
-"2-Amino-4-(tetrazolo[1,5-a]quinolin-4-yl)-4H-benzo[h]chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-4-(tetrazolo[1,5-a]quinolin-4-yl)-4~{H}-benzo[h]...","","C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC5=CC=CC=C5N6C4=NN=N6)C#N)N","HBSPNNFSDCBCEH-UHFFFAOYSA-N","155810857",NA,"PDBC15360","802661","Present"
-"2-Amino-4-[(2-cyclohexa-2,4-dienyl-ethyl)-hydroxy-phosphinoyl]-butyric acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-[(2-cyclohexa-2,4-dienyl-ethyl)-hydroxy-phosphinoyl]-butyric acid","","C1C=CC=CC1CCP(=O)(CCC(C(=O)O)N)O","SUZILEYTDIBPQA-UHFFFAOYSA-N","383692",NA,"PDBC15361","672112","Present"
-"2-Amino-4-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile","","C1CCN(C1)C2=NC(=NC(=C2C#N)NN=CC3=C(C=C(C=C3)Cl)Cl)N","DSHLCTPNESCPOQ-ZVBGSRNCSA-N","24204824",NA,"PDBC15362","733011","Present"
-"2-Amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile","","C1COCCN1C2=NC(=NC(=C2C#N)NN=CC3=C(C=CC=C3Cl)Cl)N","WDOOOBADBIRXCV-ZVBGSRNCSA-N","24204821",NA,"PDBC15363","733008","Present"
-"2-Amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile","","C1CCN(C1)C2=NC(=NC(=C2C#N)NN=CC3=C(C=CC=C3Cl)Cl)N","VHSIJSGWZJPKSG-ZVBGSRNCSA-N","11509076",NA,"PDBC15364","733012","Present"
-"2-Amino-4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile","","COC1=CC=C(C=C1)C=NNC2=C(C(=NC(=N2)N)N3CCCC3)C#N","UQLKRDMMOSQNPU-RGVLZGJSSA-N","24204823",NA,"PDBC15365","733010","Present"
-"2-Amino-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile","","C1COCCN1C2=NC(=NC(=C2C#N)NN=CC3=CC=C(C=C3)Cl)N","WWOPNKDKEOEILC-JMIUGGIZSA-N","24204817",NA,"PDBC15366","733004","Present"
-"2-Amino-4-[(E)-2-(4-methoxyphenyl)vinyl]-5-oxo-5,7,8-tetra hydro-4H-chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-4-[(E)-2-(4-methoxyphenyl)vinyl]-5-oxo-5,6,7,8-t...","","COC1=CC=C(C=C1)C=CC2C(=C(OC3=C2C(=O)CCC3)N)C#N","JOLTWOARDZXMCV-JXMROGBWSA-N","24206054",NA,"PDBC15367","737793","Present"
-"2-Amino-4-[2-quinolinyl]-1,3-tricarbonitrile-1,3-butadiene","","","","","","","","","","","","","","","","","","","","2-Amino-4-[2-quinolinyl]-1,1,3-tricarbonitrile-1,3-butad...","","C1=CC=C2C(=C1)C=CC(=N2)C=C(C#N)C(=C(C#N)C#N)N","RCTRMVXQLRNRSN-KPKJPENVSA-N","5468739",NA,"PDBC15368","675752","Present"
-"2-Amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","2-Amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde","","C1CC(C1)(CNC2=NC(=NC=C2C=O)N)CO","PGIGEODLWGCJKC-UHFFFAOYSA-N","385204",NA,"PDBC15369","676317","Present"
-"2-Amino-4-[[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-5-nitro-1H-pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","2-Amino-6-{[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]amino}-5-nitropyrimidin-4(1H)-one","","C1=C(C(C(C1NC2=C(C(=O)NC(=N2)N)[N+](=O)[O-])O)O)CO","SNHDAISAMSUVHR-UHFFFAOYSA-N","135444467",NA,"PDBC15370","644939","Present"
-"2-Amino-4-bromo-6-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one","","","","","","","","","","","","","","","","","","","","2-Amino-4-bromo-6-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one","","CC1CC2=C(NC1=O)N=C(N=C2Br)N","PFRKXOQJAPYGII-UHFFFAOYSA-N","393785",NA,"PDBC15371","696472","Present"
-"2-Amino-4-butylsulfonylbutanoic acid","","","","","","","","","","","","","","","","","","","","Buthioninesulfoxide","","CCCCS(=O)(=O)CCC(C(=O)O)N","CBZDNNMUUYMNKV-UHFFFAOYSA-N","353381",NA,"PDBC15372","601360","Present"
-"2-Amino-4-chloro-6-(((1-(hydroxymethyl)-3,3-dimethoxycyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde","","","","","","","","","","","","","","","","","","","","2-Amino-4-chloro-6-[[1-(hydroxymethyl)-3,3-dimethoxycyclobutyl]methylamino]pyrimidine-5-carbaldehyde","","COC1(CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO)OC","GIAPDRJZWMCXDY-UHFFFAOYSA-N","385256",NA,"PDBC15373","676367","Present"
-"2-Amino-4-chloro-6-(((1-(hydroxymethyl)-3-isopropylcyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde","","","","","","","","","","","","","","","","","","","","5-Pyrimidinecarboxaldehyde, 2-amino-4-chloro- 6-[[[1-(hy...","","CC(C)C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO","GITWOURAALWBOL-UHFFFAOYSA-N","385257",NA,"PDBC15374","676368","Present"
-"2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde","","","","","","","","","","","","","","","","","","","","2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde","","CC(C)(CNC1=C(C(=NC(=N1)N)Cl)C=O)CO","NARYPTCODVBNJC-UHFFFAOYSA-N","385210",NA,"PDBC15375","676323","Present"
-"2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde oxime","","","","","","","","","","","","","","","","","","","","2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde oxime","","CC(C)(CNC1=C(C(=NC(=N1)N)Cl)C=NO)CO","FBGUPTDFHQQDPB-LZWSPWQCSA-N","9571515",NA,"PDBC15376","676324","Present"
-"2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde","","C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO","VSTJAAPHHYLWBD-UHFFFAOYSA-N","385255",NA,"PDBC15377","676366","Present"
-"2-Amino-4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5,6-dihydropyrido[3,4-d]pyrimidin-8-one","","","","","","","","","","","","","","","","","","","","2-Amino-4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5,6-dihydropyrido[3,4-d]pyrimidin-8-one","","COC1=CC(=C(C=C1)CN2CCC3=C(C2=O)N=C(N=C3Cl)N)OC","QMBRWDAWMADZMK-UHFFFAOYSA-N","54613055",NA,"PDBC15378","750003","Present"
-"2-Amino-4-cyclopropyl-6-(4-fluorophenyl)cyclohexa-2,4-diene-1,1,3-tricarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-cyclopropyl-6-(4-fluorophenyl)cyclohexa-2,4-diene-1,1,3-tricarbonitrile","","C1CC1C2=CC(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F","QZVDUYUWAGKGJZ-UHFFFAOYSA-N","400138",NA,"PDBC15379","711632","Present"
-"2-Amino-4-ethoxybenzothiazole","","","","","","","","","","","","","","","","","","","","JL9RLY05NF","","CCOC1=C2C(=CC=C1)SC(=N2)N","JHGMOMZRSFGBFV-UHFFFAOYSA-N","27508",NA,"PDBC15380","623738","Present"
-"2-Amino-4-hydroxy-6-(isobutylamino)-5-pyrimidinylformamide","","","","","","","","","","","","","","","","","","","","2-Amino-4-hydroxy-6-(isobutylamino)-5-pyrimidinylformamide","","CC(C)CNC1=C(C(=O)NC(=N1)N)NC=O","UZLLGXDHJYOFTP-UHFFFAOYSA-N","135403624",NA,"PDBC15381","40663","Present"
-"2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine","","","","","","","","","","","","","","","","","","","","2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydro pteridine ...","","C1C(=NC2=C(N1)N=C(NC2=O)N)COP(=O)(O)OP(=O)(O)O","FCQGJGLSOWZZON-UHFFFAOYSA-N","135398612",NA,"PDBC15382","619900","Present"
-"2-Amino-4-imino-6-(4-methyl-2-oxo-chromen-3-yl)-1H-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-imino-6-(4-methyl-2-oxo-chromen-3-yl)-1H-pyridine-3,5-dicarbonitrile","","CC1=C(C(=O)OC2=CC=CC=C12)C3=NC(=C(C(=C3C#N)N)C#N)N","ZRGSDHVMPKJNSF-UHFFFAOYSA-N","389422",NA,"PDBC15383","685504","Present"
-"2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol","","","","","","","","","","","","","","","","","","","","2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol","","CC1=C2CCC(SC2=NC(=N1)N)O","PIHUGIWDQMUROZ-UHFFFAOYSA-N","257143",NA,"PDBC15384","85068","Present"
-"2-Amino-4-methyl-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-methyl-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile","","CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(CO2)O)O)O)C#N","NKPMWJMPNXTMQG-UHFFFAOYSA-N","3005163",NA,"PDBC15385","678081","Present"
-"2-Amino-4-methyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","NSC678064///NSC678068","","CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(C(O2)CO)O)O)O)C#N","RKSOEBDZHXLQPS-UHFFFAOYSA-N","3005862",NA,"PDBC15386","678064///678068","Present"
-"2-Amino-4-methyl-thiazole-5-carboxylic acid (1H-[1,2,4]triazol-3-yl)-amide","","","","","","","","","","","","","","","","","","","","2-Amino-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide","","CC1=C(SC(=N1)N)C(=O)NC2=NC=NN2","UTGZHIYBWKIGTC-UHFFFAOYSA-N","376633",NA,"PDBC15387","657664","Present"
-"2-Amino-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3,5-dicarbonitrile","","CC1=CC=C(C=C1)N2C(=C(C(=C(C2=O)C#N)SC)C#N)N","IYMRICVAIBMPNR-UHFFFAOYSA-N","392159",NA,"PDBC15388","692039","Present"
-"2-Amino-4-phenyl-6-thiophen-2-ylbenzene-1,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-5-(thiophen-2-yl)biphenyl-2,4-dicarbonitrile","","C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=CC=CS3","NSOVAGFDTXJIAP-UHFFFAOYSA-N","360778",NA,"PDBC15389","623133","Present"
-"2-Amino-4-phenyl-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","NSC678078///NSC678080","","C1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N)O)O)O","YCVBNENTOZMDIA-UHFFFAOYSA-N","3005868",NA,"PDBC15390","678078///678080","Present"
-"2-Amino-4-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","NSC678061///NSC678071","","C1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(C(O3)CO)O)O)O)C#N","LGFWJYIWHQTRDQ-UHFFFAOYSA-N","3005860",NA,"PDBC15391","678061///678071","Present"
-"2-Amino-4-phenylphenol","","","","","","","","","","","","","","","","","","","","2-amino-4-phenylphenol","","C1=CC=C(C=C1)C2=CC(=C(C=C2)O)N","IGIDZGNPFWGICD-UHFFFAOYSA-N","14562",NA,"PDBC15392","7950","Present"
-"2-Amino-4-phosphonobutyric acid","","","","","","","","","","","","","","","","","","","","Butanoic acid, 2-amino-4-phosphono- (9CI)","","C(CP(=O)(O)O)C(C(=O)O)N","DDOQBQRIEWHWBT-UHFFFAOYSA-N","2207",NA,"PDBC15393","30079","Present"
-"2-Amino-4-{2-[(2-cyclohexa-2,4-dienyl-ethyl)-hydroxy-phosphinoyl]-ethoxy}-butyric acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-{2-[(2-cyclohexa-2,4-dienyl-ethyl)-hydroxy-phosphinoyl]-ethoxy}-butyric acid","","C1C=CC=CC1CCP(=O)(CCOCCC(C(=O)O)N)O","XLTOGZRGMIGCDJ-UHFFFAOYSA-N","383693",NA,"PDBC15394","672113","Present"
-"2-Amino-4H-thieno[2,3-c]chromene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","BC4154941","","C1C2=C(C3=CC=CC=C3O1)C(=C(S2)N)C#N","ONCNPQUIOLSGMJ-UHFFFAOYSA-N","399091",NA,"PDBC15395","709507","Present"
-"2-Amino-5,6-bis(4-methoxyphenyl)-N,N-dipropyl-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-5,6-bis(4-methoxyphenyl)-N,N-dipropyl-4-pyrimidinecarboxamide","","CCCN(CCC)C(=O)C1=NC(=NC(=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)N","YJVDFIZNJCCLRA-UHFFFAOYSA-N","364307",NA,"PDBC15396","630325","Present"
-"2-Amino-5,8-dihydroxy-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-Amino-5,8-dihydroxy-1,4-naphthoquinone","","C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)N)O","HBGVBAQAWXSWQF-UHFFFAOYSA-N","377209",NA,"PDBC15397","658441","Present"
-"2-Amino-5-(1-benzofuran-2-yl)furan-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-5-(1-benzofuran-2-yl)furan-3-carbonitrile","","C1=CC=C2C(=C1)C=C(O2)C3=CC(=C(O3)N)C#N","KBZFHHZINUPWSR-UHFFFAOYSA-N","45028480",NA,"PDBC15398","742925","Present"
-"2-Amino-5-(2-furyl)-1-(4-methoxyphenyl)pyrrole-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-5-(2-furyl)-1-(4-methoxyphenyl)pyrrole-3,4-dicarbonitrile","","COC1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC=CO3","CEUVGDWKMVKAIM-UHFFFAOYSA-N","387743",NA,"PDBC15399","681772","Present"
-"2-Amino-5-(3-anilinopropyl)-6-methyl-4-pyrimidinethiol","","","","","","","","","","","","","","","","","","","","2-Amino-5-(3-anilinopropyl)-6-methyl-4-pyrimidinethiol","","CC1=C(C(=S)N=C(N1)N)CCCNC2=CC=CC=C2","OSFBHNAFTQFYPO-UHFFFAOYSA-N","3246306",NA,"PDBC15400","85069","Present"
-"2-Amino-5-(3-hydroxyanilino)pentanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Amino-5-(3-hydroxyanilino)pentanoic acid;hydrochloride","","C1=CC(=CC(=C1)O)NCCCC(C(=O)O)N.Cl","PPQHQXOGGYBPSX-UHFFFAOYSA-N","54607611",NA,"PDBC15401","337781","Present"
-"2-Amino-5-(3-nitrophenyl)furan-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","ALBB-031377","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=C(O2)N)C#N)C#N","MHJXVNVDXPLLRH-UHFFFAOYSA-N","387796",NA,"PDBC15402","681868","Present"
-"2-Amino-5-(4-chlorophenyl)-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","2-Amino-5-(4-chlorophenyl)-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-4-ol","","C1=CC=C(C=C1)C2=CC(C3=C(N2)N=C(NC3=O)N)C4=CC=C(C=C4)Cl","LMCSVSQTNVAJGH-UHFFFAOYSA-N","135420442",NA,"PDBC15403","685871","Present"
-"2-Amino-5-(4-nitrophenyl)furan-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-5-(4-nitrophenyl)furan-3,4-dicarbonitrile","","C1=CC(=CC=C1C2=C(C(=C(O2)N)C#N)C#N)[N+](=O)[O-]","JYPSWQPQGWVJEZ-UHFFFAOYSA-N","387797",NA,"PDBC15404","681869","Present"
-"2-Amino-5-(benzo[d]oxazol-2-yl)benzenethiol","","","","","","","","","","","","","","","","","","","","2-Amino-5-(benzo[d]oxazol-2-yl)benzenethiol","","C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)N)S","HJWAWQZIDDVLAS-UHFFFAOYSA-N","24204325",NA,"PDBC15405","731367","Present"
-"2-Amino-5-(benzylamino)pentanoic acid","","","","","","","","","","","","","","","","","","","","N~5~-Benzylornithine","","C1=CC=C(C=C1)CNCCCC(C(=O)O)N","VAWTXRIBGODTRO-UHFFFAOYSA-N","369326",NA,"PDBC15406","641080","Present"
-"2-Amino-5-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-5-oxo-pentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-5-oxo-pentanoic acid","","CC1(OC2=C(O1)C=C(C=C2)NC(=O)CCC(C(=O)O)N)C","CRRZZSCLHZOYMX-UHFFFAOYSA-N","382142",NA,"PDBC15407","669586","Present"
-"2-Amino-5-[(2-hydroxyphenyl)methylamino]pentanoic acid","","","","","","","","","","","","","","","","","","","","N~5~-(2-Hydroxybenzyl)ornithine","","C1=CC=C(C(=C1)CNCCCC(C(=O)O)N)O","DYUZRCIJNHHNFB-UHFFFAOYSA-N","369327",NA,"PDBC15408","641081","Present"
-"2-Amino-5-[(5-amino-3,4-dicyano-1-naphthalen-1-ylpyrrol-2-yl)disulfanyl]-1-naphthalen-1-ylpyrrole-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-5-[(5-amino-3,4-dicyano-1-naphthalen-1-ylpyrrol-2-yl)disulfanyl]-1-naphthalen-1-ylpyrrole-3,4-dicarbonitrile","","C1=CC=C2C(=C1)C=CC=C2N3C(=C(C(=C3SSC4=C(C(=C(N4C5=CC=CC6=CC=CC=C65)N)C#N)C#N)C#N)C#N)N","UPNIFNIOQOKMKL-UHFFFAOYSA-N","396952",NA,"PDBC15409","704172","Present"
-"2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-[(2-oxo-1,3-dihydroindol-3-yl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-[(2-oxo-1,3-dihydroindol-3-yl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid","","C1=CC=C2C(=C1)C(C(=O)N2)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","AZDHDZUSCHPULG-UHFFFAOYSA-N","397066",NA,"PDBC15410","704373","Present"
-"2-Amino-5-[[1-(carboxymethylamino)-3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-[[1-(carboxymethylamino)-3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","","C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)Cl","AJDQQFLYKZABLT-UHFFFAOYSA-N","392749",NA,"PDBC15411","693567","Present"
-"2-Amino-5-[[1-(carboxymethylamino)-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-[[1-(carboxymethylamino)-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid","","C(CC(=O)NC(CCC(=O)NO)C(=O)NCC(=O)O)C(C(=O)O)N","COLWINNLGMAANX-UHFFFAOYSA-N","390760",NA,"PDBC15412","688518","Present"
-"2-Amino-5-[[1-(carboxymethylamino)-5-[hydroxy(methyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-[[1-(carboxymethylamino)-5-[hydroxy(methyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid","","CN(C(=O)CCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","DWUBDGXLWNVHIF-UHFFFAOYSA-N","390758",NA,"PDBC15413","688516","Present"
-"2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid","","CCOC(=O)CNC(=O)C(CCC(=O)NO)NC(=O)CCC(C(=O)O)N","KYGNJBZEMHUOCT-UHFFFAOYSA-N","390761",NA,"PDBC15414","688519","Present"
-"2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-[hydroxy(methyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-[hydroxy(methyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid","","CCOC(=O)CNC(=O)C(CCC(=O)N(C)O)NC(=O)CCC(C(=O)O)N","DQOPZUQUGTUCSS-UHFFFAOYSA-N","390759",NA,"PDBC15415","688517","Present"
-"2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-","","CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O","AAPYRJHRMMWSDQ-UHFFFAOYSA-N","45027981",NA,"PDBC15416","740476","Present"
-"2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]","","CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)(F)F)O","WLGRBIGJNQQUJY-UHFFFAOYSA-N","45027980",NA,"PDBC15417","740475","Present"
-"2-Amino-5-[[5-amino-3,4-dicyano-1-(4-fluorophenyl)pyrrol-2-yl]disulfanyl]-1-(4-fluorophenyl)pyrrole-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-5-[[5-amino-3,4-dicyano-1-(4-fluorophenyl)pyrrol-2-yl]disulfanyl]-1-(4-fluorophenyl)pyrrole-3,4-dicarbonitrile","","C1=CC(=CC=C1N2C(=C(C(=C2SSC3=C(C(=C(N3C4=CC=C(C=C4)F)N)C#N)C#N)C#N)C#N)N)F","YQJSZUDAVNUNRT-UHFFFAOYSA-N","396951",NA,"PDBC15418","704171","Present"
-"2-Amino-5-bromo-6-(3-nitrophenyl)-4(3H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","2-Amino-5-bromo-6-(3-nitrophenyl)-4(3H)-pyrimidinone","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)NC(=N2)N)Br","FTRWXOPDEGKEOI-UHFFFAOYSA-N","135415735",NA,"PDBC15419","604979","Present"
-"2-Amino-5-cyano-6-hydroxy-N-(4-methylphenyl)-4-(methylthio)nicotinamide","","","","","","","","","","","","","","","","","","","","2-Amino-5-cyano-6-hydroxy-N-(4-methylphenyl)-4-(methylthio)nicotinamide","","CC1=CC=C(C=C1)NC(=O)C2=C(NC(=O)C(=C2SC)C#N)N","VCAJIHXGWLCMKQ-UHFFFAOYSA-N","392146",NA,"PDBC15420","692026","Present"
-"2-Amino-5-ethyl-6-propyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-5-ethyl-6-propyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","CCCC1=C(C(=NC(=N1)N)C(=O)NC2=CC=CC(=C2)C(F)(F)F)CC","JLWLAIIVGQXIAN-UHFFFAOYSA-N","364952",NA,"PDBC15421","631838","Present"
-"2-Amino-5-iodopyridine","","","","","","","","","","","","","","","","","","","","2-amino-5-iodopyridine","","C1=CC(=NC=C1I)N","IVILGUFRMDBUEQ-UHFFFAOYSA-N","88579",NA,"PDBC15422","31592","Present"
-"2-Amino-5-methylbenzenethiol","","","","","","","","","","","","","","","","","","","","Benzenethiol, 2-amino-5-methyl-","","CC1=CC(=C(C=C1)N)S","VUMZNLOQJGKGNE-UHFFFAOYSA-N","323260",NA,"PDBC15423","282150","Present"
-"2-Amino-5-nitro-6-[[2-(phosphonomethoxy)ethyl]amino]pyrimidin-4(3H)-one","","","","","","","","","","","","","","","","","","","","({2-[(2-Amino-6-hydroxy-5-nitropyrimidin-4-yl)amino]ethoxy}methyl)phosphonic acid","","C(COCP(=O)(O)O)NC1=C(C(=O)NC(=N1)N)[N+](=O)[O-]","UWRDMNZJYKGWRP-UHFFFAOYSA-N","135409036",NA,"PDBC15424","655357","Present"
-"2-Amino-5-oxo-5-(prop-2-ynylamino)pentanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-5-oxo-5-(prop-2-ynylamino)pentanoic acid","","C#CCNC(=O)CCC(C(=O)O)N","BCUANUNQYHYHPQ-UHFFFAOYSA-N","360663",NA,"PDBC15425","622981","Present"
-"2-Amino-5-phosphono-4-pentenoic acid","","","","","","","","","","","","","","","","","","","","STL527070","","C(C=CP(=O)(O)O)C(C(=O)O)N","QHTABWCNPABQCM-HNQUOIGGSA-N","5882143",NA,"PDBC15426","672108","Present"
-"2-Amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide","","","","","","","","","","","","","","","","","","","","NSC766578","","COC1=CC2=CC(=C(N=C2C=C1OC)N)C(=O)NC3=CC=CC=C3","DXTQMJCEDQUJSJ-UHFFFAOYSA-N","615754",NA,"PDBC15427","766578","Present"
-"2-Amino-6,7-dimethylpyrido[2,3-d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","2-Amino-6,7-dimethylpyrido[2,3-d]pyrimidin-4-ol","","CC1=CC2=C(N=C1C)N=C(NC2=O)N","VLGXRMWBVZVJDP-UHFFFAOYSA-N","135403628",NA,"PDBC15428","50570","Present"
-"2-Amino-6-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Amino-6-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-4-pyrimidinol","","C1C(CC1(CNC2=CC(=O)NC(=N2)N)CO)CCC3=CC=CC=C3","GWXLKPXRVUNMDN-UHFFFAOYSA-N","135489795",NA,"PDBC15429","676381","Present"
-"2-Amino-6-(((1-(hydroxymethyl)cyclobutyl)methyl)amino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Amino-6-(((1-(hydroxymethyl)cyclobutyl)methyl)amino)-4-pyrimidinol","","C1CC(C1)(CNC2=CC(=O)NC(=N2)N)CO","QDGWGQSZYDAIBX-UHFFFAOYSA-N","135460856",NA,"PDBC15430","676380","Present"
-"2-Amino-6-(((1-(hydroxymethyl)cyclopropyl)methyl)amino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Amino-6-(((1-(hydroxymethyl)cyclopropyl)methyl)amino)-4-pyrimidinol","","C1CC1(CNC2=CC(=O)NC(=N2)N)CO","QTIZFSVGPXWQLR-UHFFFAOYSA-N","135489794",NA,"PDBC15431","676379","Present"
-"2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid","","C1=CC=C(C(=C1)CSC2=NC(=NC(=C2)C(=O)O)N)Cl","CKEXOMJXKGGKGZ-UHFFFAOYSA-N","241840",NA,"PDBC15432","49713","Present"
-"2-Amino-6-((2-hydroxyethyl)amino)-5-nitroso-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Amino-6-((2-hydroxyethyl)amino)-5-nitroso-4-pyrimidinol","","C(CO)NC1=C(C(=O)NC(=N1)N)N=O","OBVKXGQBGZSZLF-UHFFFAOYSA-N","135444420",NA,"PDBC15433","637526","Present"
-"2-Amino-6-((3-hydroxy-2,2-dimethylpropyl)amino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Amino-6-((3-hydroxy-2,2-dimethylpropyl)amino)-4-pyrimidinol","","CC(C)(CNC1=CC(=O)NC(=N1)N)CO","BJROCNCHIMQGNX-UHFFFAOYSA-N","135406826",NA,"PDBC15434","676378","Present"
-"2-Amino-6-((3-hydroxypropyl)amino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Amino-6-((3-hydroxypropyl)amino)-4-pyrimidinol","","C1=C(N=C(NC1=O)N)NCCCO","MBASEOUSQCGMNP-UHFFFAOYSA-N","135489793",NA,"PDBC15435","676377","Present"
-"2-Amino-6-((5-(hydroxy(oxido)amino)-6-(methylamino)-4-pyrimidinyl)thio)-9H-purine","","","","","","","","","","","","","","","","","","","","2-Amino-6-((5-(hydroxy(oxido)amino)-6-(methylamino)-4-pyrimidinyl)thio)-9H-purine","","CNC1=C(C(=NC=N1)SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]","URIYRDCSAYRGKI-UHFFFAOYSA-N","3246138",NA,"PDBC15436","38732","Present"
-"2-Amino-6-(1-naphthylamino)-3,4,5-pyridinetricarbonitrile","","","","","","","","","","","","","","","","","","","","LS-132111","","C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=C(C(=N3)N)C#N)C#N)C#N","GZXYOLIIVIQMEV-UHFFFAOYSA-N","379208",NA,"PDBC15437","663619","Present"
-"2-Amino-6-(1H-benzimidazol-2-yl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(1h-benzimidazol-2-yl)-4-[4-(methylsulfanyl)phenyl]pyridine-3-carbonitrile","","CSC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=NC4=CC=CC=C4N3","ZONPADSTEAHFJM-UHFFFAOYSA-N","402407",NA,"PDBC15438","716338","Present"
-"2-Amino-6-(2-(2-fluorophenyl)hydrazino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Amino-6-(2-(2-fluorophenyl)hydrazino)-4-pyrimidinol","","C1=CC=C(C(=C1)NNC2=CC(=O)NC(=N2)N)F","VSSRDQIVVWLEBJ-UHFFFAOYSA-N","135489799",NA,"PDBC15439","677263","Present"
-"2-Amino-6-(2-(3,4-dichlorophenyl)hydrazino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Amino-6-(2-(3,4-dichlorophenyl)hydrazino)-4-pyrimidinol","","C1=CC(=C(C=C1NNC2=CC(=O)NC(=N2)N)Cl)Cl","UCBUBWJJNAJRIL-UHFFFAOYSA-N","135489800",NA,"PDBC15440","677264","Present"
-"2-Amino-6-(2-(3-fluorophenyl)hydrazino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Amino-6-(2-(3-fluorophenyl)hydrazino)-4-pyrimidinol","","C1=CC(=CC(=C1)F)NNC2=CC(=O)NC(=N2)N","IHWGHAIDLSUDOF-UHFFFAOYSA-N","135489798",NA,"PDBC15441","677262","Present"
-"2-Amino-6-(2-amino-4-hydroxy-quinazolin-6-yl)sulfanyl-quinazolin-4-ol","","","","","","","","","","","","","","","","","","","","2-Amino-6-(2-amino-4-hydroxy-quinazolin-6-yl)sulfanyl-quinazolin-4-ol","","C1=CC2=C(C=C1SC3=CC4=C(C=C3)N=C(NC4=O)N)C(=O)NC(=N2)N","IPDBEEYMRWYGSG-UHFFFAOYSA-N","135489905",NA,"PDBC15442","695933","Present"
-"2-Amino-6-(2-aminophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(2-aminophenylthio)-4-phenyl-3,5-pyridinedicarbonitrile","","C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3N)N)C#N","GHTCFJKWXZRLDK-UHFFFAOYSA-N","395919",NA,"PDBC15443","701014","Present"
-"2-Amino-6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile","","CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC(=C(C=C3)OC)OC","BSZLZWCFWCRNPY-UHFFFAOYSA-N","4659623",NA,"PDBC15444","735025","Present"
-"2-Amino-6-(3-(4-morpholinyl)propyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","2-Amino-6-(3-(4-morpholinyl)propyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-ol","","C1COCCN1CCCN2CC3=C(NC2)N=C(NC3=O)N","MSLRFMDLSHJTEO-UHFFFAOYSA-N","135403643",NA,"PDBC15445","92601","Present"
-"2-Amino-6-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methyl-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-6-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methyl-4-pyrimidinecarboxamide","","CC1=C(N=C(N=C1C(=O)NC2=CC=C(C=C2)Cl)N)C3=CC(=CC=C3)Cl","NBLNWBPWBBLZIK-UHFFFAOYSA-N","364926",NA,"PDBC15446","631812","Present"
-"2-Amino-6-(4-((1H-benzimidazol-2-ylmethyl)amino)phenyl)-4-(2-furyl)nicotinonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(4-((1H-benzimidazol-2-ylmethyl)amino)phenyl)-4-(2-furyl)nicotinonitrile","","C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C4=NC(=C(C(=C4)C5=CC=CO5)C#N)N","IRJSZNZVJABASN-UHFFFAOYSA-N","374044",NA,"PDBC15447","651240","Present"
-"2-Amino-6-(4-bromophenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(4-bromophenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile","","CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)Br","DSJGADDAIYLJDD-UHFFFAOYSA-N","3399462",NA,"PDBC15448","735024","Present"
-"2-Amino-6-(4-chloro-3,5-difluoroanilino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Amino-6-(4-chloro-3,5-difluoroanilino)-4-pyrimidinol","","C1=C(C=C(C(=C1F)Cl)F)NC2=CC(=O)NC(=N2)N","RMBYHZINIOGGFX-UHFFFAOYSA-N","135489861",NA,"PDBC15449","685831","Present"
-"2-Amino-6-(benzylamino)-4-(2,4-dichlorophenyl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(benzylamino)-4-(2,4-dichlorophenyl)pyridine-3,5-dicarbonitrile","","C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)N)C#N)C3=C(C=C(C=C3)Cl)Cl)C#N","NTSDXNRKOZICHM-UHFFFAOYSA-N","24205131",NA,"PDBC15450","734395","Present"
-"2-Amino-6-(benzylamino)-4-(2-chlorophenyl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(benzylamino)-4-(2-chlorophenyl)pyridine-3,5-dicarbonitrile","","C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3Cl)C#N","RAQSSEOQYWZRJK-UHFFFAOYSA-N","24205132",NA,"PDBC15451","734396","Present"
-"2-Amino-6-(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile","","C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N","OZLVNJINKWNPKR-UHFFFAOYSA-N","24205128",NA,"PDBC15452","734392","Present"
-"2-Amino-6-(benzylamino)hexanoic acid","","","","","","","","","","","","","","","","","","","","N~6~-Benzyllysine","","C1=CC=C(C=C1)CNCCCCC(C(=O)O)N","QHFWIZMMKPGTRI-UHFFFAOYSA-N","369328",NA,"PDBC15453","641082","Present"
-"2-Amino-6-(ethylthio)-4-(3,5-dic arbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-(ethylthio)-4-(3,4-dimethoxyphenyl)pyridin-3,5...","","CCSC1=C(C(=C(C(=N1)N)C#N)C2=CC(=C(C=C2)OC)OC)C#N","HTMQYWYCAIPYHS-UHFFFAOYSA-N","24203991",NA,"PDBC15454","730312","Present"
-"2-Amino-6-[(2-hydroxyphenyl)methylamino]hexanoic acid","","","","","","","","","","","","","","","","","","","","N~6~-(2-Hydroxybenzyl)lysine","","C1=CC=C(C(=C1)CNCCCCC(C(=O)O)N)O","UMXGVURALLTGGD-UHFFFAOYSA-N","369329",NA,"PDBC15455","641083","Present"
-"2-Amino-6-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]hexanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-6-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]hexanoic acid","","C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NCCCCC(C(=O)O)N","SKOVXVMQLQFZFR-UHFFFAOYSA-N","375076",NA,"PDBC15456","653960","Present"
-"2-Amino-6-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-4-(4-methoxynaphthalen-1-yl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-[4-[(7-chloro-4-quinolyl)amino]phenyl]-4-(4-methoxy-1-naphthyl)pyridine-3-carbonitrile","","COC1=CC=C(C2=CC=CC=C21)C3=CC(=NC(=C3C#N)N)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","MIGUSJYGNVKHCZ-UHFFFAOYSA-N","396050",NA,"PDBC15457","701377","Present"
-"2-Amino-6-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-[4-[(7-chloro-4-quinolyl)amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile","","COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","OWGVAOYGXIJLGY-UHFFFAOYSA-N","396049",NA,"PDBC15458","701376","Present"
-"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(3-methoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(3-methoxyphenyl)pyridine-3-carbonitrile","","COC1=CC=CC(=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","YSFTXQBUONPIGE-UHFFFAOYSA-N","45028693",NA,"PDBC15459","743852","Present"
-"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile","","COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","GNLHXOWLMMYGDU-UHFFFAOYSA-N","45028694",NA,"PDBC15460","743853","Present"
-"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-[4-(dimethylamino)phenyl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-[4-(dimethylamino)phenyl]pyridine-3-carbonitrile","","CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","FXJYHXZREBXQFU-UHFFFAOYSA-N","45028695",NA,"PDBC15461","743854","Present"
-"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-phenylpyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-phenylpyridine-3-carbonitrile","","C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","MENBUUBOOBDUKW-UHFFFAOYSA-N","45028692",NA,"PDBC15462","743851","Present"
-"2-Amino-6-[4-[[4-anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-[4-[[4-anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile","","COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=C(C=C6)Cl","KAOJKHJNFVFZFB-UHFFFAOYSA-N","54613688",NA,"PDBC15463","749380","Present"
-"2-Amino-6-[amino(methyl)amino]pyridine-3,4,5-tricarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-[amino(methyl)amino]pyridine-3,4,5-tricarbonitrile","","CN(C1=C(C(=C(C(=N1)N)C#N)C#N)C#N)N","MBFUDCZYDLQEIZ-UHFFFAOYSA-N","265400",NA,"PDBC15464","101329","Present"
-"2-Amino-6-chloro-4-[(4-hydroxybutyl)amino]pyrimidine","","","","","","","","","","","","","","","","","","","","2-Amino-6-chloro-4-[(4-hydroxybutyl)amino]pyrimidine","","C1=C(N=C(N=C1Cl)N)NCCCCO","JJRPKYFHANKBFL-UHFFFAOYSA-N","358991",NA,"PDBC15465","619198","Present"
-"2-Amino-6-chloropyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","3,5-Pyridinedicarbonitrile, 2-amino-6-chloro-","","C1=C(C(=NC(=C1C#N)Cl)N)C#N","OKTHXARAGRKGBQ-UHFFFAOYSA-N","295901",NA,"PDBC15466","165528","Present"
-"2-Amino-6-ethylsulfanyl-4-furan-2-yl-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2 -Amino-6-(ethylthio)-4-(furan-2-yl)pyridine-3,5-dicarb...","","CCSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C#N","GOUYQPFXXZWOTN-UHFFFAOYSA-N","745534",NA,"PDBC15467","731356","Present"
-"2-Amino-6-fluoro-4-(4-nitrophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-flouro-2-Amino-3-cyano-4-(4-nitrophenyl)-4H-1-benzothi...","","C1=CC2=C(C(=C1)F)SC3=C2OC(=C(C3C4=CC=C(C=C4)[N+](=O)[O-])C#N)N","XZGQRYLIJXQDJU-UHFFFAOYSA-N","155806999",NA,"PDBC15468","796237","Present"
-"2-Amino-6-fluorofluoren-9-one","","","","","","","","","","","","","","","","","","","","2-Amino-6-fluorofluoren-9-one","","C1=CC2=C(C=C1N)C(=O)C3=C2C=C(C=C3)F","SQFMIYUXUXLYDV-UHFFFAOYSA-N","347242",NA,"PDBC15469","405788","Present"
-"2-Amino-6-hexyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-6-hexyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","CCCCCCC1=CC(=NC(=N1)N)C(=O)NC2=CC=CC(=C2)C(F)(F)F","FWZSHOKRDXTCOF-UHFFFAOYSA-N","360301",NA,"PDBC15470","622336","Present"
-"2-Amino-6-hydroxy-5-(phenyldiazenyl)-4-pyrimidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-Amino-6-hydroxy-5-(phenyldiazenyl)-4-pyrimidinecarboxylic acid","","C1=CC=C(C=C1)N=NC2=C(N=C(NC2=O)N)C(=O)O","DJBAMDNSHMNVMG-UHFFFAOYSA-N","135403645",NA,"PDBC15471","96682","Present"
-"2-Amino-6-hydroxyhexanoic acid","","","","","","","","","","","","","","","","","","","","dl-.epsilon.-hydroxynorleucine","","C(CCO)CC(C(=O)O)N","OLUWXTFAPJJWPL-UHFFFAOYSA-N","233487",NA,"PDBC15472","16535","Present"
-"2-Amino-6-mercapto-4-methyl-3,5-pyridinedicarbonitrile","","","","","","","","","","","","","","","","","","","","RSCBB000152","","CC1=C(C(=S)NC(=C1C#N)N)C#N","OHZLZIABVLGKLS-UHFFFAOYSA-N","3005160",NA,"PDBC15473","678059","Present"
-"2-Amino-6-mercaptopurine riboside","","","","","","","","","","","","","","","","","","","","thioguanosine","","C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=S)N","OTDJAMXESTUWLO-UHFFFAOYSA-N","3938248",NA,"PDBC15474","29422","Present"
-"2-Amino-6-methoxypurine","","","","","","","","","","","","","","","","","","","","6-METHOXYGUANINE","","COC1=NC(=NC2=C1NC=N2)N","BXJHWYVXLGLDMZ-UHFFFAOYSA-N","65275",NA,"PDBC15475","37364","Present"
-"2-Amino-6-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile","","COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N","GXVDUQFXCRLSSI-UHFFFAOYSA-N","24205480",NA,"PDBC15476","736018","Present"
-"2-Amino-6-morpholin-4-yl-4-pyridin-2-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-morpholin-4-yl-4-pyridin-2-ylpyridine-3,5-dicarbonitrile","","C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=N3)C#N","ODARKOGOAOHPEG-UHFFFAOYSA-N","24205484",NA,"PDBC15477","736023","Present"
-"2-Amino-6-morpholin-4-yl-4-pyridin-3-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-morpholin-4-yl-4-pyridin-3-ylpyridine-3,5-dicarbonitrile","","C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CN=CC=C3)C#N","CWPZTMNCFVGOOT-UHFFFAOYSA-N","24205482",NA,"PDBC15478","736020","Present"
-"2-Amino-6-morpholin-4-yl-4-pyridin-4-ylpyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-6-morpholin-4-yl-4-pyridin-4-ylpyridine-3,5-dicarbonitrile","","C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=NC=C3)C#N","FRGUWVSBJRBWNF-UHFFFAOYSA-N","24205483",NA,"PDBC15479","736021","Present"
-"2-Amino-6-phosphonohexanoic acid","","","","","","","","","","","","","","","","","","","","STL526852","","C(CCP(=O)(O)O)CC(C(=O)O)N","QIOXWRQXHFVNLV-UHFFFAOYSA-N","2927",NA,"PDBC15480","672104","Present"
-"2-Amino-7-(2,4-cyclohexadien-1-yl(phenyl)phosphoryl)heptanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-7-(2,4-cyclohexadien-1-yl(phenyl)phosphoryl)heptanoic acid","","C1C=CC=CC1P(=O)(CCCCCC(C(=O)O)N)C2=CC=CC=C2","MPRXIYJLNGKBGR-UHFFFAOYSA-N","383691",NA,"PDBC15481","672111","Present"
-"2-Amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-7-(dimethylamino)-4-(1-methyl-1,2,3,4-tetrahydro...","","CN1CCCC2=C1C=CC(=C2)C3C4=C(C=C(C=C4)N(C)C)OC(=C3C#N)N","NWUGXHNOQBPZTO-UHFFFAOYSA-N","155814126",NA,"PDBC15482","787852","Present"
-"2-Amino-7-[(2,4-dimethoxyphenyl)methyl]-4-phenylsulfanyl-5,6-dihydropyrido[3,4-d]pyrimidin-8-one","","","","","","","","","","","","","","","","","","","","2-Amino-7-[(2,4-dimethoxyphenyl)methyl]-4-phenylsulfanyl-5,6-dihydropyrido[3,4-d]pyrimidin-8-one","","COC1=CC(=C(C=C1)CN2CCC3=C(C2=O)N=C(N=C3SC4=CC=CC=C4)N)OC","PLJMELZAMXKOQR-UHFFFAOYSA-N","54613057",NA,"PDBC15483","750343","Present"
-"2-Amino-7-benzyl-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-8H-purin-6-one","","","","","","","","","","","","","","","","","","","","2-Amino-7-benzyl-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-8H-purin-6-one","","CN1C2=C(C(=O)N=C1N)N(CN2C3C(C(C(O3)CO)O)O)CC4=CC=CC=C4","WWJNIOCQZOFJCZ-UHFFFAOYSA-N","358310",NA,"PDBC15484","618271","Present"
-"2-Amino-7-hydroxy-4-(1-naphthyl)-4H-chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-7-hydroxy-4-(1-naphthyl)-4H-chromene-3-carbonitrile","","C1=CC=C2C(=C1)C=CC=C2C3C4=C(C=C(C=C4)O)OC(=C3C#N)N","MFBQDVIBFBSHLQ-UHFFFAOYSA-N","3296874",NA,"PDBC15485","736769","Present"
-"2-Amino-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-amino-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carb...","","COC1=CC=CC=C1C2C3=C(C=C(C=C3)O)OC(=C2C#N)N","JSINZKYQKSXBQD-UHFFFAOYSA-N","3505618",NA,"PDBC15486","737796","Present"
-"2-Amino-7-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-Amino-7-methoxy-4,10-dimethyl-1H-benzofuro[2,3-f]isoin...","","CC1=C2C3=C(C=C(C=C3)OC)OC2=C(C4=C1C(=O)N(C4=O)N)C","BFUMPJCOHXUMFA-UHFFFAOYSA-N","155811166",NA,"PDBC15487","799299","Present"
-"2-Amino-7-methyl-9H-thioxanthen-9-one","","","","","","","","","","","","","","","","","","","","9681AE","","CC1=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)N","VVQULFWWOHEBQC-UHFFFAOYSA-N","337138",NA,"PDBC15488","354084","Present"
-"2-Amino-7-oxo-N-pyridin-2-ylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","BAS 01020669","","C1=CC=NC(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=N","SVOLOBZEQBXJPW-UHFFFAOYSA-N","135426625",NA,"PDBC15489","704394","Present"
-"2-Amino-7-phosphonoheptanoic acid","","","","","","","","","","","","","","","","","","","","AP-7","","C(CCC(C(=O)O)N)CCP(=O)(O)O","MYDMWESTDPJANS-UHFFFAOYSA-N","3122",NA,"PDBC15490","672105","Present"
-"2-Amino-8-fluoro-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-8-fluoro-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C(C=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)F","MBHBKYUJERKJAW-UHFFFAOYSA-N","383041",NA,"PDBC15491","671031","Present"
-"2-Amino-9-(1-(2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)ethyl)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-Amino-9-(1-(2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)ethyl)-9H-purin-6-ol","","CC1=CC=C(C=C1)SCC(CF)OC(C)N2C=NC3=C2N=C(NC3=O)N","QOGHWQPMXJWPAI-UHFFFAOYSA-N","135409231",NA,"PDBC15492","670537","Present"
-"2-Amino-9-(2-(2-hydroxyethyl)benzyl)-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","2-Amino-9-(2-(2-hydroxyethyl)benzyl)-9H-purin-6-ol","","C1=CC=C(C(=C1)CCO)CN2C=NC3=C2N=C(NC3=O)N","APJFPLRPKJGRJT-UHFFFAOYSA-N","135492127",NA,"PDBC15493","644201","Present"
-"2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxy-purin-6-one","","","","","","","","","","","","","","","","","","","","2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxypurin-6-one","","CN1C(=O)C2=C(N=C1N)N(C(=N2)OCC3=CC=CC=C3)C4C(C(C(O4)CO)O)O","GGBYVYDNNBAHOS-UHFFFAOYSA-N","274080",NA,"PDBC15494","119847","Present"
-"2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one","","","","","","","","","","","","","","","","","","","","2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one","","CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O","ZBDDPUHBOFHFRK-UHFFFAOYSA-N","135422750",NA,"PDBC15495","618270","Present"
-"2-Amino-9-[[(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]-1H-purin-6-one","","","","","","","","","","","","","","","","","","","","2-Amino-9-{[(1s,3r)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl}-9h-purin-6-ol","","CC1(C(CCC1(C)CO)CN2C=NC3=C2N=C(NC3=O)N)C","WMHBKNWGRBZDNK-PSLIRLAXSA-N","135426587",NA,"PDBC15496","700350","Present"
-"2-Amino-9-[[2-(hydroxymethyl)phenyl]methyl]-1H-purin-6-one","","","","","","","","","","","","","","","","","","","","2-Amino-9-[2-(hydroxymethyl)benzyl]-3,9-dihydro-6h-purin-6-one","","C1=CC=C(C(=C1)CN2C=NC3=C2N=C(NC3=O)N)CO","IKPWMSYYYXXZOM-UHFFFAOYSA-N","135436425",NA,"PDBC15497","723379","Present"
-"2-Amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one","","","","","","","","","","","","","","","","","","","","2-Amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-3H-purin-6-one","","C1CC(CC1CN2C=NC3=C2N=C(NC3=O)N)CO","ZAECLQDHGPTZFV-UHFFFAOYSA-N","135426586",NA,"PDBC15498","700344","Present"
-"2-Amino-9-[[4-(hydroxymethyl)phenyl]methyl]-1H-purin-6-one","","","","","","","","","","","","","","","","","","","","2-Amino-9-[4-(hydroxymethyl)benzyl]-3,9-dihydro-6h-purin-6-one","","C1=CC(=CC=C1CN2C=NC3=C2N=C(NC3=O)N)CO","VBWJYWGKQIJFDH-UHFFFAOYSA-N","135436427",NA,"PDBC15499","723383","Present"
-"2-Amino-9-benzyl-6-((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-9H-purine","","","","","","","","","","","","","","","","","","","","9-Benzyl-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purin-2-amine","","CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N)[N+](=O)[O-]","KHTLNGFUSVKKLF-UHFFFAOYSA-N","238855",NA,"PDBC15500","43413","Present"
-"2-Amino-9-chloro-3,5-bis(4-chlorophenyl)pyrimido[4,5-c]quinolin-1-one","","","","","","","","","","","","","","","","","","","","2-Amino-9-chloro-3,5-bis(4-chlorophenyl)pyrimido[4,5-c]quinolin-1-one","","C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C4=C2N=C(N(C4=O)N)C5=CC=C(C=C5)Cl)Cl","SCEYVMIYTLSPLR-UHFFFAOYSA-N","16126264",NA,"PDBC15501","741296","Present"
-"2-Amino-9-ethyl-3H-purine-6-thione","","","","","","","","","","","","","","","","","","","","PC 208A","","CCN1C=NC2=C1NC(=NC2=S)N","XKGZWNJXERQFKP-UHFFFAOYSA-N","3766626",NA,"PDBC15502","40660","Present"
-"2-Amino-9-fluorenone","","","","","","","","","","","","","","","","","","","","2-Amino-9-fluorenone","","C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N","SJODITPGMMSNRF-UHFFFAOYSA-N","18357",NA,"PDBC15503","12368","Present"
-"2-Amino-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one","","","","","","","","","","","","","","","","","","","","2-Amino-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one","","C1=CC=C2C(=C1)C(=O)N3C(=NC(=N3)N)S2","MLXRPDFCWNYDPJ-UHFFFAOYSA-N","364994",NA,"PDBC15504","631903","Present"
-"2-Amino-N'-(2-aminobenzoyl)benzohydrazide","","","","","","","","","","","","","","","","","","","","2-Amino-N'-(2-aminobenzoyl)benzohydrazide","","C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2N)N","SPFZLGKZSROIJB-UHFFFAOYSA-N","392122",NA,"PDBC15505","691994","Present"
-"2-Amino-N'-(2-chlorophenyl)benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","2-Amino-N'-(2-chlorophenyl)benzenecarboximidamide","","C1=CC=C(C(=C1)C(=NC2=CC=CC=C2Cl)N)N","RKFUZQOEPWRSIA-UHFFFAOYSA-N","397633",NA,"PDBC15506","705996","Present"
-"2-Amino-N'-(3,4-dichlorophenyl)benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","EH00093","","C1=CC=C(C(=C1)C(=NC2=CC(=C(C=C2)Cl)Cl)N)N","HSTCNHYIVMLVLC-UHFFFAOYSA-N","397636",NA,"PDBC15507","705999","Present"
-"2-Amino-N'-(3-chlorophenyl)benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","2-Amino-N'-(3-chlorophenyl)benzenecarboximidamide","","C1=CC=C(C(=C1)C(=NC2=CC(=CC=C2)Cl)N)N","NLJDVHOJYUCWAL-UHFFFAOYSA-N","397634",NA,"PDBC15508","705997","Present"
-"2-Amino-N'-(4-chlorophenyl)benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","EH00091","","C1=CC=C(C(=C1)C(=NC2=CC=C(C=C2)Cl)N)N","CGJRUFXWBGNNJB-UHFFFAOYSA-N","397635",NA,"PDBC15509","705998","Present"
-"2-Amino-N'-hydroxypropanimidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC362121","","CC(C(=NO)N)N.Cl","AEDUBEBACJIFLB-UHFFFAOYSA-N","24200182",NA,"PDBC15510","362121","Present"
-"2-Amino-N'-phenylbenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","EH00087","","C1=CC=C(C=C1)N=C(C2=CC=CC=C2N)N","PUIHDSWBMBOMPS-UHFFFAOYSA-N","397632",NA,"PDBC15511","705995","Present"
-"2-Amino-N(1),N(3)-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide","","","","","","","","","","","","","","","","","","","","isophthalanide, 2-amino-4',4''-di-2-imidazolin-2-yl- (8ci)","","C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)N","OBAUDPAEJYJNTG-UHFFFAOYSA-N","251786",NA,"PDBC15512","72564","Present"
-"2-Amino-N-(2,5-dimethylphenyl)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-(2,5-dimethylphenyl)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide","","CC1=CC(=C(C=C1)C)NC(=O)C2=NC(=NC(=C2)C3=C(NC4=CC=CC=C4S3)C)N","FUJKDFADGSCOND-UHFFFAOYSA-N","364959",NA,"PDBC15513","631845","Present"
-"2-Amino-N-(2,5-dimethylphenyl)-6-(4-nitrophenyl)pyrimidine-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-(2,5-dimethylphenyl)-6-(4-nitrophenyl)pyrimidine-4-carboxamide","","CC1=CC(=C(C=C1)C)NC(=O)C2=NC(=NC(=C2)C3=CC=C(C=C3)[N+](=O)[O-])N","ATRFJNHTIBISPG-UHFFFAOYSA-N","364270",NA,"PDBC15514","630287","Present"
-"2-Amino-N-(2-(((2-amino-6-ethyl-5-methyl-4-pyrimidinyl)carbonyl)amino)ethyl)-6-ethyl-5-methyl-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-[2-[(2-amino-6-ethyl-5-methylpyrimidine-4-carbonyl)amino]ethyl]-6-ethyl-5-methylpyrimidine-4-carboxamide","","CCC1=C(C(=NC(=N1)N)C(=O)NCCNC(=O)C2=NC(=NC(=C2C)CC)N)C","SMDXMSQJERBWMN-UHFFFAOYSA-N","364948",NA,"PDBC15515","631834","Present"
-"2-Amino-N-(2-((4-((2-((2-amino-4-(methylthio)butanoyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)-4-(methylthio)butanamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-[2-[[4-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]-4-methylsulfanylbutanamide","","CSCCC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CCSC)N)C(=O)C3=CC=CC=C3C2=O)N","BHBWSRDZPMNWRN-UHFFFAOYSA-N","438924",NA,"PDBC15516","684440","Present"
-"2-Amino-N-(3,4-dichlorophenyl)-6-(2-methyl-1-propenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-(3,4-dichlorophenyl)-6-(2-methyl-1-propenyl)-4-pyrimidinecarboxamide","","CC(=CC1=CC(=NC(=N1)N)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C","SYEDFNUNTVRQIW-UHFFFAOYSA-N","364951",NA,"PDBC15517","631837","Present"
-"2-Amino-N-(3,4-dichlorophenyl)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-(3,4-dichlorophenyl)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide","","CC1=C(SC2=CC=CC=C2N1)C3=CC(=NC(=N3)N)C(=O)NC4=CC(=C(C=C4)Cl)Cl","YXTKZZGPHYAZBU-UHFFFAOYSA-N","364273",NA,"PDBC15518","630290","Present"
-"2-Amino-N-(4-chlorophenyl)-5-cyano-6-hydroxy-4-(methylthio)nicotinamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-(4-chlorophenyl)-5-cyano-6-hydroxy-4-(methylthio)nicotinamide","","CSC1=C(C(=O)NC(=C1C(=O)NC2=CC=C(C=C2)Cl)N)C#N","GDLURQLOBQVCFU-UHFFFAOYSA-N","392128",NA,"PDBC15519","692008","Present"
-"2-Amino-N-(4-chlorophenyl)-6-(3-methoxyphenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-(4-chlorophenyl)-6-(3-methoxyphenyl)-4-pyrimidinecarboxamide","","COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)C(=O)NC3=CC=C(C=C3)Cl","WHOOWDRANBHQPT-UHFFFAOYSA-N","364269",NA,"PDBC15520","630286","Present"
-"2-Amino-N-(9H-fluoren-9-yl)-5-methoxy-4-phenylmethoxybenzamide","","","","","","","","","","","","","","","","","","","","N1-(9H-9-fluorenyl)-2-amino-4-(benyloxy)-5-methoxy benza...","","COC1=C(C=C(C(=C1)C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24)N)OCC5=CC=CC=C5","VZROYKLGCSRARF-UHFFFAOYSA-N","25014686",NA,"PDBC15521","742259","Present"
-"2-Amino-N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","L-Tyrosine, [[4-[bis(2-chloroethyl)amino]phenyl]methylen...","","C1=CC(=CC=C1CC(C(=O)NN=CC2=CC=C(C=C2)N(CCCl)CCCl)N)O","WBMLOIZUPQOBPX-ZVHZXABRSA-N","9568284",NA,"PDBC15522","82587","Present"
-"2-Amino-N-[1-(1-benzothiophen-2-yl)cyclohexyl]acetamide;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","2-Amino-N-[1-(1-benzothiophen-2-yl)cyclohexyl]acetamide;(E)-but-2-enedioic acid","","C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NC(=O)CN.C(=CC(=O)O)C(=O)O","XCEUKWOCSOHMJO-WLHGVMLRSA-N","5471073",NA,"PDBC15523","708106","Present"
-"2-Amino-N-[4,5-dichloro-2-[[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]methyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-[4,5-dichloro-2-[[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]methyl]phenyl]acetamide","","CN(CC1=CC(=C(C=C1NC(=O)CN)Cl)Cl)C2CCCCC2N3CCCC3","VXWXQUXBJFNWBL-OALUTQOASA-N","398349",NA,"PDBC15524","708073","Present"
-"2-Amino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-(4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl)acet...","","C1=CNC(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN","HEMNVSCJOZIBEQ-UHFFFAOYSA-N","284708",NA,"PDBC15525","140873","Present"
-"2-Amino-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide","","CC1=C(SC(=N1)N)C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C","LBNJAUBZIUYYDG-UHFFFAOYSA-N","45027934",NA,"PDBC15526","740205","Present"
-"2-Amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]benzamide","","","","","","","","","","","","","","","","","","","","Benzamide, 2-amino-N-[[4-[(5-bromopyrimidin-2-yl)oxy]3-m...","","CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2N)OC3=NC=C(C=N3)Br","ORIPEOKULFJBFK-UHFFFAOYSA-N","372559",NA,"PDBC15527","647884","Present"
-"2-Amino-N-benzyl-6-hexyl-7-oxochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","STK835200","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NCC3=CC=CC=C3)O","RLVFMXKTONSNPK-UHFFFAOYSA-N","135426593",NA,"PDBC15528","701077","Present"
-"2-Amino-N-methyl-N-[(4-methylphenyl)diazenyl]propanamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-methyl-N-[(4-methylphenyl)diazenyl]propanamide","","CC1=CC=C(C=C1)N=NN(C)C(=O)C(C)N","RVLCFMOLKLZEFA-UHFFFAOYSA-N","394861",NA,"PDBC15529","698949","Present"
-"2-Amino-N-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide","","","","","","","","","","","","","","","","","","","","2-Amino-N-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide","","CNC(=O)C1(C2=CC=CC=C2C=CC3=CC=CC=C31)N","RSSOYVJERZUZLC-UHFFFAOYSA-N","398110",NA,"PDBC15530","707475","Present"
-"2-Amino-N-octadecyl-3-(5-phenylmethoxypyridin-2-yl)propanamide;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","2-Amino-N-octadecyl-3-(5-phenylmethoxypyridin-2-yl)propanamide;2,2,2-trifluoroacetic acid","","CCCCCCCCCCCCCCCCCCNC(=O)C(CC1=NC=C(C=C1)OCC2=CC=CC=C2)N.C(=O)(C(F)(F)F)O","XQRFQVCZSDQKOT-UHFFFAOYSA-N","400193",NA,"PDBC15531","711712","Present"
-"2-Aminoacetanilide hydrochloride","","","","","","","","","","","","","","","","","","","","NSC14288","","C1=CC=C(C=C1)NC(=O)CN.Cl","WJJKZMFCHGHFBD-UHFFFAOYSA-N","458752",NA,"PDBC15532","14288","Present"
-"2-Aminobenzene-1,3,5-trisulfonamide","","","","","","","","","","","","","","","","","","","","Compound 25857","","C1=C(C=C(C(=C1S(=O)(=O)N)N)S(=O)(=O)N)S(=O)(=O)N","JVSIPBVRSZVDHF-UHFFFAOYSA-N","230714",NA,"PDBC15533","25857","Present"
-"2-Aminoethanol;5-[(4-nitrophenyl)-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione","","","","","","","","","","","","","","","","","","","","2-Aminoethanol;5-[(4-nitrophenyl)-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione","","C1=CC(=CC=C1C(C2C(=O)NC(=O)NC2=O)C3C(=O)NC(=O)NC3=O)[N+](=O)[O-].C(CO)N","JWBSFVWQLNLRFT-UHFFFAOYSA-N","6712676",NA,"PDBC15534","705854","Present"
-"2-Aminoethyl(diphenyl)phosphanium;platinum(4+);chloride","","","","","","","","","","","","","","","","","","","","NSC685468","","C1=CC=C(C=C1)[PH+](CCN)C2=CC=CC=C2.C1=CC=C(C=C1)[PH+](CCN)C2=CC=CC=C2.[Cl-].[Pt+4]","VKIVLPTWJVWIEX-UHFFFAOYSA-O","24202550",NA,"PDBC15535","685468","Present"
-"2-Aminofluorene","","","","","","","","","","","","","","","","","","","","aminofluoren(german)","","C1C2=CC=CC=C2C3=C1C=C(C=C3)N","CFRFHWQYWJMEJN-UHFFFAOYSA-N","1539",NA,"PDBC15536","12274","Present"
-"2-Aminohexadecan-3-one","","","","","","","","","","","","","","","","","","","","NSC783085","","CCCCCCCCCCCCCC(=O)C(C)N","NPBASQZHSXDPSF-UHFFFAOYSA-N","17973409",NA,"PDBC15537","783085","Present"
-"2-Aminomethylpiperidine-4-(2-hydroxy-5-chlorophenyl)-6-phenyl pyrimidine","","","","","","","","","","","","","","","","","","","","2-aminomethylpiperidine-4-(2-hydroxy-5-chlorophenyl)-6-p...","","C1CCN(CC1)CNC2=NC(=CC(=N2)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4","HSPXJOOLTYSHLR-UHFFFAOYSA-N","399970",NA,"PDBC15538","711122","Present"
-"2-Aminophenol; 2-hydroxy-1,3,2-dioxastibolane-4,5-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","2-Aminophenol; 2-hydroxy-1,3,2-dioxastibolane-4,5-dicarboxylic acid","","C1=CC=C(C(=C1)N)O.C1(C(O[Sb]O1)C(=O)O)C(=O)O.O","LLUVXGRUWUQUGT-UHFFFAOYSA-N","16682749",NA,"PDBC15539","31660","Present"
-"2-Aminophenothiazin-3-one","","","","","","","","","","","","","","","","","","","","ATON","","C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3S2)N.Cl","RWVIXLAPUYQGIG-UHFFFAOYSA-N","2834192",NA,"PDBC15540","196869","Present"
-"2-Anilino-2-[4-[anilino(cyano)methyl]phenyl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-Anilino-2-[4-[anilino(cyano)methyl]phenyl]acetonitrile","","C1=CC=C(C=C1)NC(C#N)C2=CC=C(C=C2)C(C#N)NC3=CC=CC=C3","FTSCRIFQTOUYPU-UHFFFAOYSA-N","387696",NA,"PDBC15541","681725","Present"
-"2-Anilino-3-chloro-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","STK862428","","C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","CIWCIDRTACZSAZ-UHFFFAOYSA-N","14161",NA,"PDBC15542","4285","Present"
-"2-Anilino-5-aryloxazole 24","","","","","","","","","","","","","","","","","","","","GW622055X","","CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC=CC=C3Cl","QAAZSECJUMWUTP-UHFFFAOYSA-N","5329857",NA,"PDBC15543","756286","Present"
-"2-Anilino-5-chloro-N-(5-fluoro-2-methylphenyl)benzamide","","","","","","","","","","","","","","","","","","","","NSC766717","","CC1=C(C=C(C=C1)F)NC(=O)C2=C(C=CC(=C2)Cl)NC3=CC=CC=C3","YDYIMBIBJGKUCE-UHFFFAOYSA-N","15998601",NA,"PDBC15544","766717","Present"
-"2-Anilino-7-oxochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","STK030831","","C1=CC=C(C=C1)N=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)N","HWFCJTQLOXHQHQ-UHFFFAOYSA-N","135426627",NA,"PDBC15545","704428","Present"
-"2-Anilino-9-phenyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one","","","","","","","","","","","","","","","","","","","","2-Anilino-9-phenyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one","","C1C2=NC3=CC=CC=C3C(=C2C(=O)N1NC4=CC=CC=C4)C5=CC=CC=C5","DUMZERJISHELHI-UHFFFAOYSA-N","372524",NA,"PDBC15546","647658","Present"
-"2-Anilino-N'-(2,4-bis(hydroxy(oxido)amino)phenyl)-4-methyl-1,3-thiazole-5-carbohydrazide","","","","","","","","","","","","","","","","","","","","2-Anilino-N'-(2,4-bis(hydroxy(oxido)amino)phenyl)-4-methyl-1,3-thiazole-5-carbohydrazide","","CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","NBURCQUYRPUOQB-UHFFFAOYSA-N","3837233",NA,"PDBC15547","637676","Present"
-"2-Anilino-N-(2-tert-butyl-2,4-dihydroxy-5-oxopyrrol-1-yl)benzamide","","","","","","","","","","","","","","","","","","","","2-Anilino-N-(2-tert-butyl-2,4-dihydroxy-5-oxopyrrol-1-yl)benzamide","","CC(C)(C)C1(C=C(C(=O)N1NC(=O)C2=CC=CC=C2NC3=CC=CC=C3)O)O","WMUQHNIRFLEXMV-UHFFFAOYSA-N","398007",NA,"PDBC15548","707079","Present"
-"2-Anilino-N-[2-methyl-4-oxo-6-(phenylsulfamoyl)quinazolin-3-yl]acetamide","","","","","","","","","","","","","","","","","","","","2-Anilino-N-[2-methyl-4-oxo-6-(phenylsulfamoyl)quinazolin-3-yl]acetamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C(=O)N1NC(=O)CNC4=CC=CC=C4","YHYFNAIRYLYWBC-UHFFFAOYSA-N","390403",NA,"PDBC15549","687757","Present"
-"2-Anilino-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-...","","C1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CN(N=N3)CC4=CC(=CC=C4)OC5=CC=CC=C5","WRABHOGLDBGWLC-UHFFFAOYSA-N","90680997",NA,"PDBC15550","761812","Present"
-"2-Anilinobutanedioic acid","","","","","","","","","","","","","","","","","","","","2-Anilinosuccinic acid","","C1=CC=C(C=C1)NC(CC(=O)O)C(=O)O","LUHMZMOENSCJAC-UHFFFAOYSA-N","272745",NA,"PDBC15551","117429","Present"
-"2-Anilinothieno[3,2-b]pyridine-3-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(phenylamino)thieno[3,2-b]pyridine-3-carboxylate","","CCOC(=O)C1=C(SC2=C1N=CC=C2)NC3=CC=CC=C3","OAOXXRIZCJLTMS-UHFFFAOYSA-N","400002",NA,"PDBC15552","711184","Present"
-"2-Azaadenine","","","","","","","","","","","","","","","","","","","","2-Azaadenine","","C1=NC2=NN=NC(=C2N1)N","QHVZREGCOXMZPG-UHFFFAOYSA-N","5480214",NA,"PDBC15553","57048","Present"
-"2-Azetidinone, 4-(6-bromo-2-chloro-3-quinolinyl)-3-chloro-1-(3-chloro-4-fluorophenyl)-","","","","","","","","","","","","","","","","","","","","2-Azetidinone, 4-(6-bromo-2-chloro-3-quinolinyl)- 3-chlo...","","C1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl)F","QFQFIQWWLKOPSY-UHFFFAOYSA-N","402319",NA,"PDBC15554","716210","Present"
-"2-Azido-10-[(4-dimethylamino)butyl]phenothiazine, oxalate salt","","","","","","","","","","","","","","","","","","","","2-Azido-10-[(4-dimethylamino)butyl]phenothiazine, oxalat...","","CN(C)CCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)N=[N+]=[N-].C(=O)(C(=O)O)O","VDDBVQNXLNVBNB-UHFFFAOYSA-N","385933",NA,"PDBC15555","677395","Present"
-"2-Azido-5-[4-(5-azido-1,3,4-oxadiazol-2-yl)butyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-(2.Lambda.~5~-1,2-Triazadienyl)-5-(4-(5-(2.lambda.~5~-1,2-triazadienyl)-1,3,4-oxadiazol-2-yl)butyl)-1,3,4-oxadiazole","","C(CCC1=NN=C(O1)N=[N+]=[N-])CC2=NN=C(O2)N=[N+]=[N-]","WVXKFLNEVJFVOS-UHFFFAOYSA-N","368769",NA,"PDBC15556","639965","Present"
-"2-Azidoadamantane","","","","","","","","","","","","","","","","","","","","2-Azidoadamantane","","C1C2CC3CC1CC(C2)C3N=[N+]=[N-]","DBMHNOXGUUDEPE-UHFFFAOYSA-N","357115",NA,"PDBC15557","615000","Present"
-"2-Azulen-4-yloxyethanol","","","","","","","","","","","","","","","","","","","","2-(Azulen-4-yloxy)ethanol","","C1=CC=C(C2=CC=CC2=C1)OCCO","AHQGWIWQJFYMOG-UHFFFAOYSA-N","402618",NA,"PDBC15558","716774","Present"
-"2-Benzamido-2-(trifluoromethyl)penta-3,4-dienoic acid","","","","","","","","","","","","","","","","","","","","2-(Benzoylamino)-2-(trifluoromethyl)penta-3,4-dienoic acid","","C=C=CC(C(=O)O)(C(F)(F)F)NC(=O)C1=CC=CC=C1","GZCTUAHLWGSBBV-UHFFFAOYSA-N","364659",NA,"PDBC15559","631250","Present"
-"2-Benzamido-2-benzyl-3-(5-hydroxypyridin-2-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-Benzamido-2-benzyl-3-(5-hydroxy-2-pyridyl)propanoic acid","","C1=CC=C(C=C1)CC(CC2=NC=C(C=C2)O)(C(=O)O)NC(=O)C3=CC=CC=C3","AMLVSFPQUDZDGA-UHFFFAOYSA-N","397811",NA,"PDBC15560","706387","Present"
-"2-Benzamido-3-(5-hydroxypyridin-2-yl)-2-methylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-Benzamido-3-(5-hydroxy-2-pyridyl)-2-methyl-propanoic acid","","CC(CC1=NC=C(C=C1)O)(C(=O)O)NC(=O)C2=CC=CC=C2","YIXXWMUXDIATSB-UHFFFAOYSA-N","397810",NA,"PDBC15561","706386","Present"
-"2-Benzamido-N-(2-benzamidobenzoyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Benzamido-N-(2-benzamidobenzoyl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4","SAFSOQVHJMQHIL-UHFFFAOYSA-N","359340",NA,"PDBC15562","620126","Present"
-"2-Benzamido-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide","","","","","","","","","","","","","","","","","","","","(E)-2-benzamido-N'-(phenyl(pyridin-2-yl)methylene)benzoh...","","C1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)C4=CC=CC=N4","MIHADTFTHFWJDZ-RMLRFSFXSA-N","155817074",NA,"PDBC15563","798680","Present"
-"2-Benzenesulfonamidopropanoic acid","","","","","","","","","","","","","","","","","","","","NSC627209///NSC627210","","CC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1","KHLXTMZRKBVYST-UHFFFAOYSA-N","362838",NA,"PDBC15564","627209///627210","Present"
-"2-Benzhydryl-1H-perimidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Benzhydryl-1H-perimidine;hydrochloride","","C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NC4=CC=CC5=C4C(=CC=C5)N3.Cl","TVLDHBJJIQPFPJ-UHFFFAOYSA-N","376357",NA,"PDBC15565","657190","Present"
-"2-Benzhydrylidene-1lambda6,3lambda6-benzodithiole 1,1,3,3-tetraoxide","","","","","","","","","","","","","","","","","","","","2-Benzhydrylidene-1lambda6,3lambda6-benzodithiole 1,1,3,3-tetraoxide","","C1=CC=C(C=C1)C(=C2S(=O)(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4","OQAZTVWSGYBEPU-UHFFFAOYSA-N","358196",NA,"PDBC15566","618073","Present"
-"2-Benzhydrylmalononitrile","","","","","","","","","","","","","","","","","","","","2-Benzhydrylmalononitrile","","C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C#N)C#N","NKOTZAFEFBQTEI-UHFFFAOYSA-N","361638",NA,"PDBC15567","624857","Present"
-"2-Benzhydrylsulfanyl-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-Benzhydrylsulfanyl-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide","","C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)NN=CC3=C(C=C(C=C3)Cl)Cl","PVMSDHVCWRVTLD-AFUMVMLFSA-N","24205186",NA,"PDBC15568","734506","Present"
-"2-Benzhydrylsulfanyl-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-Benzhydrylsulfanyl-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide","","C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)NN=CC3=CC=CC=C3Cl","ZPHMNPZSVDJLHP-BUVRLJJBSA-N","24205181",NA,"PDBC15569","734501","Present"
-"2-Benzhydrylsulfanyl-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-Benzhydrylsulfanyl-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide","","C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)NN=CC3=CC(=CC=C3)Cl","JNSHIGOJGXSHQW-BUVRLJJBSA-N","24205182",NA,"PDBC15570","734502","Present"
-"2-Benzhydrylsulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-Benzhydrylsulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide","","C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)NN=CC3=CC=CO3","LFYXKHLPWIENNE-KGENOOAVSA-N","24205189",NA,"PDBC15571","734509","Present"
-"2-Benzhydrylsulfonylacetic acid","","","","","","","","","","","","","","","","","","","","API0008059","","C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)(=O)CC(=O)O","XTXZDQKYJIHOMB-UHFFFAOYSA-N","270960",NA,"PDBC15572","114215","Present"
-"2-Benzooxazol-2-yl-benzo[f]chromen-3-one","","","","","","","","","","","","","","","","","","","","2-Benzooxazol-2-yl-benzo[f]chromen-3-one","","C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC5=CC=CC=C5O4","IGQLBIZUYPZOGO-UHFFFAOYSA-N","395987",NA,"PDBC15573","701111","Present"
-"2-Benzothiazolepropanamide, N-(4-chloro-3-methylphenyl)-alpha-oxo-","","","","","","","","","","","","","","","","","","","","2-Benzothiazolepropanamide, N-(4-chloro-3-methylphenyl)-alpha-oxo-","","CC1=C(C=CC(=C1)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)Cl","DQNZKGBDDDYSKS-UHFFFAOYSA-N","366713",NA,"PDBC15574","635429","Present"
-"2-Benzoyl-1,1-dichloro-3-[(2-nitrophenyl)methyl]-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-benzoyl-1,1-dichloro-3-[(2-nitrophenyl)methyl]-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile","","C1=CC=C(C=C1)C(=O)N2C3C(C3(Cl)Cl)C4=CC=CC=C4C2(CC5=CC=CC=C5[N+](=O)[O-])C#N","QAXWGDLYEBWLFZ-UHFFFAOYSA-N","363072",NA,"PDBC15575","627624","Present"
-"2-Benzoyl-1-benzyl-6,7-dimethoxy-1,2-dihydro-1-isoquinolinecarbonitrile","","","","","","","","","","","","","","","","","","","","2-Benzoyl-1-benzyl-6,7-dimethoxy-1,2-dihydro-1-isoquinolinecarbonitrile","","COC1=C(C=C2C(=C1)C=CN(C2(CC3=CC=CC=C3)C#N)C(=O)C4=CC=CC=C4)OC","AVORRGDTNSSFRZ-UHFFFAOYSA-N","363308",NA,"PDBC15576","628127","Present"
-"2-Benzoyl-1-cyano-6,7-dimethoxy-1,2-dihydro-4-isoquinolinyl benzoate","","","","","","","","","","","","","","","","","","","","2-Benzoyl-1-cyano-6,7-dimethoxy-1,2-dihydro-4-isoquinolinyl benzoate","","COC1=C(C=C2C(=C1)C(N(C=C2OC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N)OC","PNLQYXMGIZJFMN-UHFFFAOYSA-N","363305",NA,"PDBC15577","628124","Present"
-"2-Benzoyl-1-formyl-1,2-dihydro-1-isoquinolinecarbonitrile","","","","","","","","","","","","","","","","","","","","2-Benzoyl-1-formyl-1,2-dihydro-1-isoquinolinecarbonitrile","","C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(C=O)C#N","YPVAZGJPRBAURR-UHFFFAOYSA-N","367370",NA,"PDBC15578","637009","Present"
-"2-Benzoyl-11-nitro-14,19-diphenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone","","","","","","","","","","","","","","","","","","","","2-Benzoyl-11-nitro-14,19-diphenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone","","C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C4=CC5(C6C(C42C7C5C(=O)N(C7=O)C8=CC=CC=C8)C(=O)N(C6=O)C9=CC=CC=C9)[N+](=O)[O-]","MTQUMDGNSOHMRG-UHFFFAOYSA-N","364261",NA,"PDBC15579","630260","Present"
-"2-Benzoyl-2',6,7-trimethoxyspiro[3,4-dihydroisoquinoline-1,4'-cyclohexa-2,5-diene]-1'-one","","","","","","","","","","","","","","","","","","","","2-Benzoyl-2',6,7-trimethoxyspiro[3,4-dihydroisoquinoline-1,4'-cyclohexa-2,5-diene]-1'-one","","COC1=C(C=C2C(=C1)CCN(C23C=CC(=O)C(=C3)OC)C(=O)C4=CC=CC=C4)OC","ZXBDJAOBNBGAOO-UHFFFAOYSA-N","360650",NA,"PDBC15580","622957","Present"
-"2-Benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one","","","","","","","","","","","","","","","","","","","","2-Benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one","","C1CNC(=O)CC2C1CN(CC2)C(=O)C3=CC=CC=C3","ZYZZLNZTPISGMA-UHFFFAOYSA-N","358292",NA,"PDBC15581","618234","Present"
-"2-Benzoyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one","","","","","","","","","","","","","","","","","","","","2-Benzoyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one","","C1C2=C(C(=O)CN1C(=O)C3=CC=CC=C3)C4=CC=CC=C4N2","REAKPLJLXQXRAW-UHFFFAOYSA-N","363109",NA,"PDBC15582","627678","Present"
-"2-Benzoyl-3-(2-bromo-4,5-dimethoxybenzyl)-1,1-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Benzoyl-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1-dichloro-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile","","COC1=C(C=C(C(=C1)CC2(C3=CC=CC=C3C4C(C4(Cl)Cl)N2C(=O)C5=CC=CC=C5)C#N)Br)OC","MBUDAQKKQGLYJK-UHFFFAOYSA-N","363094",NA,"PDBC15583","627664","Present"
-"2-Benzoyl-3-(2-furyl)-acrylonitrile","","","","","","","","","","","","","","","","","","","","2-Benzoyl-3-(2-furyl)-acrylonitrile","","C1=CC=C(C=C1)C(=O)C(=CC2=CC=CO2)C#N","RYSPQOWNCYWAQP-XFXZXTDPSA-N","50990110",NA,"PDBC15584","643036","Present"
-"2-Benzoyl-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylamino)-3-(4-dimethylamino-1-pyridinio)acrylonitrile","","","","","","","","","","","","","","","","","","","","2-benzoyl-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylam...","","CC1=CC(=C(C=C1Cl)[S-])S(=O)(=O)NC(=C(C#N)C(=O)C2=CC=CC=C2)[N+]3=CC=C(C=C3)N(C)C","KSIIZUKYEOFDJB-UHFFFAOYSA-N","5472667",NA,"PDBC15585","720634","Present"
-"2-Benzoyl-3-methoxyisoxazolidine","","","","","","","","","","","","","","","","","","","","2-Benzoyl-3-methoxyisoxazolidine","","COC1CCON1C(=O)C2=CC=CC=C2","CBVVBUODFKHGEQ-UHFFFAOYSA-N","377008",NA,"PDBC15586","658226","Present"
-"2-Benzoyl-5-ethoxy-3-methylisoxazolidine","","","","","","","","","","","","","","","","","","","","2-Benzoyl-5-ethoxy-3-methylisoxazolidine","","CCOC1CC(N(O1)C(=O)C2=CC=CC=C2)C","NJMBLMQLZWLRHO-UHFFFAOYSA-N","377015",NA,"PDBC15587","658233","Present"
-"2-Benzoyl-5-ethoxyisoxazolidine","","","","","","","","","","","","","","","","","","","","2-Benzoyl-5-ethoxyisoxazolidine","","CCOC1CCN(O1)C(=O)C2=CC=CC=C2","FGACRHYIKZJLTO-UHFFFAOYSA-N","377012",NA,"PDBC15588","658230","Present"
-"2-Benzoyl-7-bromo-3-(dibromomethyl)-8-quinolinyl acetate","","","","","","","","","","","","","","","","","","","","2-Benzoyl-7-bromo-3-(dibromomethyl)-8-quinolinyl acetate","","CC(=O)OC1=C(C=CC2=CC(=C(N=C21)C(=O)C3=CC=CC=C3)C(Br)Br)Br","MWPNXALXXPXCAO-UHFFFAOYSA-N","370211",NA,"PDBC15589","642955","Present"
-"2-Benzoyl-8-quinolinyl hexopyranoside","","","","","","","","","","","","","","","","","","","","Phenyl-[8-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-quinolyl]methanone","","C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC=C3OC4C(C(C(C(O4)CO)O)O)O)C=C2","RVKGLPXTBFFCSC-UHFFFAOYSA-N","370222",NA,"PDBC15590","642966","Present"
-"2-Benzoyl-N-(1,3-thiazol-2-yl)-5-isoxazolidinamine","","","","","","","","","","","","","","","","","","","","2-Benzoyl-N-(1,3-thiazol-2-yl)-5-isoxazolidinamine","","C1CN(OC1NC2=NC=CS2)C(=O)C3=CC=CC=C3","MEGHUDUHIQGNHO-UHFFFAOYSA-N","377014",NA,"PDBC15591","658232","Present"
-"2-Benzoyl-N-(4-bromophenyl)-3-isoxazolidinamine","","","","","","","","","","","","","","","","","","","","2-Benzoyl-N-(4-bromophenyl)-3-isoxazolidinamine","","C1CON(C1NC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3","MVNGJXLMVJUWNS-UHFFFAOYSA-N","377009",NA,"PDBC15592","658227","Present"
-"2-Benzoyl-N-(4-methoxyphenyl)-3-methyl-5-isoxazolidinamine","","","","","","","","","","","","","","","","","","","","2-Benzoyl-N-(4-methoxyphenyl)-3-methyl-5-isoxazolidinamine","","CC1CC(ON1C(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)OC","AWWLNWLZARVRMJ-UHFFFAOYSA-N","377016",NA,"PDBC15593","658234","Present"
-"2-Benzoylaminobenzamide, N-thiazol-2-yl-","","","","","","","","","","","","","","","","","","","","2-Benzoylaminobenzamide, N-thiazol-2-yl-","","C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=NC=CS3","XKDRMCXMNRVMDM-UHFFFAOYSA-N","355710",NA,"PDBC15594","609815","Present"
-"2-Benzoylethenyl-5-(3'-hydroxy-3'-methylbutynyl)thiophene","","","","","","","","","","","","","","","","","","","","2-Benzoylethenyl-5-(3'-hydroxy-3'-methylbutynyl)thiophene","","CC(C)(C#CC1=CC=C(S1)C=CC(=O)C2=CC=CC=C2)O","QWAUHODVFDCJGX-ZHACJKMWSA-N","24205322",NA,"PDBC15595","735039","Present"
-"2-Benzoyloxy-5-[1-(4-benzoyloxy-3-carboxy-5-chlorophenyl)-4-[(8R,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chlorobenzoic acid","","","","","","","","","","","","","","","","","","","","(5.alpha.)-3.beta.-[4,4-Di(4'-benzoyloxy-3'-carboxy-5'- ...","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)OC(=O)C6=CC=CC=C6)C(=O)O)C7=CC(=C(C(=C7)Cl)OC(=O)C8=CC=CC=C8)C(=O)O)C)C","OGDKEOSZYRJBRB-CUNKKZTQSA-N","6712210",NA,"PDBC15596","659688","Present"
-"2-Benzoyloxymethyl-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-benzoyloxymethyl-1,4-naphthoquinone","","C1=CC=C(C=C1)C(=O)OCC2=CC(=O)C3=CC=CC=C3C2=O","STAAWZODIFGDOL-UHFFFAOYSA-N","24206039",NA,"PDBC15597","737760","Present"
-"2-Benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-1-carbonitrile","","C1CC2(CC3C1C(N(CC3)C(=O)C4=CC=CC=C4)C#N)OCCO2","ZRESZLJDPVQHDJ-UHFFFAOYSA-N","358297",NA,"PDBC15598","618239","Present"
-"2-Benzyl 6-methyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","2-Benzyl 6-methyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","COC(=O)C1CC2CN(C1C=C2)C(=O)OCC3=CC=CC=C3","GPLGSAJHGIIYOS-UHFFFAOYSA-N","393313",NA,"PDBC15599","694978","Present"
-"2-Benzyl 6-methyl 4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","2-Benzyl 6-methyl 4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","CC12CC(C(C=C1)N(C2)C(=O)OCC3=CC=CC=C3)C(=O)OC","OYJSXSZEOKAQMT-UHFFFAOYSA-N","393312",NA,"PDBC15600","694977","Present"
-"2-Benzyl-1,2-dihydro-indazol-3-one","","","","","","","","","","","","","","","","","","","","ACM1848460","","C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N2","IBMDKBAGSDBZIJ-UHFFFAOYSA-N","411523",NA,"PDBC15601","34822","Present"
-"2-Benzyl-1,3-diphenyl-3a,6-dihydro-3H-2,1lambda5-benzazaphosphole 1-oxide","","","","","","","","","","","","","","","","","","","","2-Benzyl-1,3-diphenyl-2,3,3a,6-tetrahydro-1h-2,1-benzazaphosphole 1-oxide","","C1C=CC2C(N(P(=O)(C2=C1)C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5","FYZOVIMAGXJXJF-UHFFFAOYSA-N","404666",NA,"PDBC15602","721090","Present"
-"2-Benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC49455","","C1CN(C(=N1)CC2=CC=CC=C2)CCC3=CC=CC=C3.Cl","TYIPTENWQHJHGW-UHFFFAOYSA-N","54602889",NA,"PDBC15603","49455","Present"
-"2-Benzyl-1-[(Z)-quinolin-4-ylmethylideneamino]guanidine;hydroiodide","","","","","","","","","","","","","","","","","","","","2-Benzyl-1-[(Z)-quinolin-4-ylmethylideneamino]guanidine;hydroiodide","","C1=CC=C(C=C1)CN=C(N)NN=CC2=CC=NC3=CC=CC=C23.I","SLWHJOLFMVOBSX-BWLGBDCWSA-N","54598751",NA,"PDBC15604","606752","Present"
-"2-Benzyl-1-cyanoguanidine","","","","","","","","","","","","","","","","","","","","Cambridge id 5109529","","C1=CC=C(C=C1)CN=C(N)NC#N","VFDXJSPBOJYHQF-UHFFFAOYSA-N","373917",NA,"PDBC15605","650947","Present"
-"2-Benzyl-1-methyl-1H-naphth[2,3-d]imidazole","","","","","","","","","","","","","","","","","","","","2-benzyl-1-methyl-1H-naphth[2,3-d]imidazole","","CN1C2=CC3=CC=CC=C3C=C2N=C1CC4=CC=CC=C4","COJMJERIHFTCLA-UHFFFAOYSA-N","406868",NA,"PDBC15606","725168","Present"
-"2-Benzyl-1-oxo-isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-Benzyl-1-oxo-isothiazolo[5,4-b]pyridin-3-one","","C1=CC=C(C=C1)CN2C(=O)C3=C(S2=O)N=CC=C3","JCXBRLKKOFSIHN-UHFFFAOYSA-N","5466428",NA,"PDBC15607","690395","Present"
-"2-Benzyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole","","","","","","","","","","","","","","","","","","","","1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2-(phenylmeth...","","C1CN(CC2=C1NC3=CC=CC=C23)CC4=CC=CC=C4","TWZCZLLZJDKWFN-UHFFFAOYSA-N","275438",NA,"PDBC15608","122301","Present"
-"2-Benzyl-2-indanecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-Benzyl-2-indanecarboxylic acid","","C1C2=CC=CC=C2CC1(CC3=CC=CC=C3)C(=O)O","LQYPNYVOQJOFTF-UHFFFAOYSA-N","384713",NA,"PDBC15609","674949","Present"
-"2-Benzyl-3,2,4-oxadiazolidin-5-one","","","","","","","","","","","","","","","","","","","","2-benzyl-3,4-diphenyl-1,2,4-oxadiazolidin-5-one","","C1=CC=C(C=C1)CN2C(N(C(=O)O2)C3=CC=CC=C3)C4=CC=CC=C4","IQXHEJKTOMMTKU-UHFFFAOYSA-N","361521",NA,"PDBC15610","624645","Present"
-"2-Benzyl-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Benzyl-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylic acid","","C1CC2=CC3=C(CC(C3)(CC4=CC=CC=C4)C(=O)O)C=C2C1","FUYIQBOZRCRPLS-UHFFFAOYSA-N","384725",NA,"PDBC15611","674961","Present"
-"2-Benzyl-3-(4-chlorophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one","","","","","","","","","","","","","","","","","","","","1-Benzyl-7-(4-chlorophenyl)-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile","","C1C(N(NC(=C(C1=O)C#N)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl","BFAAWCBZYPUSGJ-UHFFFAOYSA-N","363800",NA,"PDBC15612","629014","Present"
-"2-Benzyl-3-ethyl-6-methyl-1,3,2-oxazaphosphinane 2-oxide","","","","","","","","","","","","","","","","","","","","2-Benzyl-3-ethyl-6-methyl-1,3,2-oxazaphosphinane 2-oxide","","CCN1CCC(OP1(=O)CC2=CC=CC=C2)C","QTOIGFDILFOPOC-UHFFFAOYSA-N","395331",NA,"PDBC15613","699813","Present"
-"2-Benzyl-3-isopropyl-6-methyl-1,3,2-oxazaphosphinane 2-sulfide","","","","","","","","","","","","","","","","","","","","2-Benzyl-3-isopropyl-6-methyl-1,3,2-oxazaphosphinane 2-sulfide","","CC1CCN(P(=S)(O1)CC2=CC=CC=C2)C(C)C","KUOZVDIPRNIEBQ-UHFFFAOYSA-N","395333",NA,"PDBC15614","699815","Present"
-"2-Benzyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-4-ium-6-amine;bromide","","","","","","","","","","","","","","","","","","","","6-Amino-2-benzyl-3-methyl-2H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-4-ium bromide","","CC1=[N+]2C(=NN1CC3=CC=CC=C3)SC(=N2)N.[Br-]","IWGCHNITBIWMCZ-UHFFFAOYSA-M","383492",NA,"PDBC15615","671878","Present"
-"2-Benzyl-3-methylsulfonylpropanoic acid","","","","","","","","","","","","","","","","","","","","AVHWPQIMONLFFZ-UHFFFAOYSA-N","","CS(=O)(=O)CC(CC1=CC=CC=C1)C(=O)O","AVHWPQIMONLFFZ-UHFFFAOYSA-N","386443",NA,"PDBC15616","678411","Present"
-"2-Benzyl-3-phenylpropanoic acid","","","","","","","","","","","","","","","","","","","","Dibenzylacetic acid","","C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)O","RBLAOGBEJPHFHW-UHFFFAOYSA-N","64800",NA,"PDBC15617","6239","Present"
-"2-Benzyl-3H-[1,2,4]triazino[3,2-b]quinazoline-3,10(4H)-dione","","","","","","","","","","","","","","","","","","","","2-Benzyl-3H-[1,2,4]triazino[3,2-b]quinazoline-3,10(4H)-dione","","C1=CC=C(C=C1)CC2=NN3C(=O)C4=CC=CC=C4N=C3NC2=O","KARWCKAYLMFSBN-UHFFFAOYSA-N","135408949",NA,"PDBC15618","648494","Present"
-"2-Benzyl-4-nitro-isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","CBDivE_004563","","C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]","IYJLTOTUYACXLP-UHFFFAOYSA-N","233212",NA,"PDBC15619","31445","Present"
-"2-Benzyl-5,6,7,8-tetrahydroisoquinolin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","2-Benzyl-5,6,7,8-tetrahydroisoquinolin-2-ium;bromide","","C1CCC2=C(C1)C=C[N+](=C2)CC3=CC=CC=C3.[Br-]","YNIKQTMUHOZUQD-UHFFFAOYSA-M","359381",NA,"PDBC15620","620191","Present"
-"2-Benzyl-5,8-dimethoxy-1-naphthoic acid","","","","","","","","","","","","","","","","","","","","2-Benzyl-5,8-dimethoxy-1-naphthoic acid","","COC1=C2C=CC(=C(C2=C(C=C1)OC)C(=O)O)CC3=CC=CC=C3","GHXOMXYHZBZUIJ-UHFFFAOYSA-N","362101",NA,"PDBC15621","625629","Present"
-"2-Benzyl-5-((benzyloxy)methyl)-9-thia-2-azabicyclo[3.3.1]nonan-7-one","","","","","","","","","","","","","","","","","","","","2-Benzyl-5-((benzyloxy)methyl)-9-thia-2-azabicyclo[3.3.1]nonan-7-one","","C1CN(C2CC(=O)CC1(S2)COCC3=CC=CC=C3)CC4=CC=CC=C4","PKUIUVYDOOWWBW-UHFFFAOYSA-N","386458",NA,"PDBC15622","678487","Present"
-"2-Benzyl-6-[[2-[(3-benzyl-5-chloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-chlorophenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Benzyl-6-[[2-[(3-benzyl-5-chloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-chlorophenol;hydrochloride","","C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Cl)CNCCNCC3=CC(=CC(=C3O)CC4=CC=CC=C4)Cl)O.Cl","IGSGORWPRDFXAD-UHFFFAOYSA-N","24181851",NA,"PDBC15623","11963","Present"
-"2-Benzyl-6-methylpyrazolo[3,4-d][1,3]oxazin-4(2H)-one","","","","","","","","","","","","","","","","","","","","2-Benzyl-6-methylpyrazolo[3,4-d][1,3]oxazin-4(2H)-one","","CC1=NC2=NN(C=C2C(=O)O1)CC3=CC=CC=C3","FYFSXFTZQKVTJJ-UHFFFAOYSA-N","371133",NA,"PDBC15624","645094","Present"
-"2-Benzyl-6-methylsulfanyl-5H-pyrazolo[3,4-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-Benzyl-6-(methylsulfanyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","","CSC1=NC2=NN(C=C2C(=O)N1)CC3=CC=CC=C3","SEMINIXHFAXIGF-UHFFFAOYSA-N","135500502",NA,"PDBC15625","622927","Present"
-"2-Benzyl-6a,7,8,9-tetrahydro-4aH-pyrido[4,3-e]pyrrolo[1,2-a][1,4]diazepine-6,11(2H,5H)-dione","","","","","","","","","","","","","","","","","","","","13-Benzyl-3,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(14),11-diene-2,8-dione","","C1CC2C(=O)NC3C=CN(C=C3C(=O)N2C1)CC4=CC=CC=C4","RAHXHGJEWIAXII-UHFFFAOYSA-N","353727",NA,"PDBC15626","602810","Present"
-"2-Benzyl-7,7-dimethoxy-5,6-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one","","","","","","","","","","","","","","","","","","","","2-Benzyl-7,7-dimethoxy-5,6-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one","","COC1(CC2C(C(C1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)OC","MAUOGJCYMNQDCN-UHFFFAOYSA-N","363683",NA,"PDBC15627","628755","Present"
-"2-Benzyl-7,7-dimethoxy-5-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-en-3-one","","","","","","","","","","","","","","","","","","","","2-Benzyl-7,7-dimethoxy-5-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-en-3-one","","COC1(CC2C(=CC1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC","VKIBUDOIEIONMT-UHFFFAOYSA-N","363682",NA,"PDBC15628","628754","Present"
-"2-Benzyl-7,7-dimethoxy-5-(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one","","","","","","","","","","","","","","","","","","","","2-Benzyl-7,7-dimethoxy-5-(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one","","COC1(CC2C(CC1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC","LSTRNHDFMKMGPY-UHFFFAOYSA-N","362177",NA,"PDBC15629","625761","Present"
-"2-Benzyl-7,7-dimethoxy-6-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-en-3-one","","","","","","","","","","","","","","","","","","","","2-Benzyl-7,7-dimethoxy-6-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-en-3-one","","COC1(CC2C=C(C1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC","HZFFRBWEVTWIIQ-UHFFFAOYSA-N","363680",NA,"PDBC15630","628752","Present"
-"2-Benzyl-7,8-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octane-3,6-dione","","","","","","","","","","","","","","","","","","","","2-Benzyl-7,8-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octane-3,6-dione","","C1C2C(C(C(C1=O)N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","UOFCHJLYOPATKG-UHFFFAOYSA-N","363684",NA,"PDBC15631","628756","Present"
-"2-Benzyl-7-(benzyloxy)-5-((benzyloxy)methyl)-9-thia-2-azabicyclo[3.3.1]nonane","","","","","","","","","","","","","","","","","","","","2-Benzyl-7-(benzyloxy)-5-((benzyloxy)methyl)-9-thia-2-azabicyclo[3.3.1]nonane","","C1CN(C2CC(CC1(S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5","QNZRLJMUMQDXAN-UHFFFAOYSA-N","386457",NA,"PDBC15632","678486","Present"
-"2-Benzyl-7-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-azabicyclo[2.2.2]oct-5-ene-6-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Benzyl-7-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-azabicyclo[2.2.2]oct-5-ene-6-carbonitrile","","CC(=NO)C1CC2CN(C1C(=C2)C#N)CC3=CC=CC=C3","WFMNNEXNOLXAEP-XDHOZWIPSA-N","9573919",NA,"PDBC15633","382791","Present"
-"2-Benzyl-7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","2-Benzyl-7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole","","CC1C2=C(CCN1CC3=CC=CC=C3)C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]","JGDRHEPJRJEPOY-UHFFFAOYSA-N","363619",NA,"PDBC15634","628648","Present"
-"2-Benzyl-8-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-7-ene-3,6-dione","","","","","","","","","","","","","","","","","","","","2-Benzyl-8-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-7-ene-3,6-dione","","C1C2C(=CC(C1=O)N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","MNUVVQLLWRCHGX-UHFFFAOYSA-N","363681",NA,"PDBC15635","628753","Present"
-"2-Benzylidene-1-tetralone","","","","","","","","","","","","","","","","","","","","NSC665347","","C1CC(=CC2=CC=CC=C2)C(=O)C3=CC=CC=C31","JNRAEZULKWNOQO-NTCAYCPXSA-N","5376779",NA,"PDBC15636","665347","Present"
-"2-Benzylidene-5,6-dimethoxy-1-indanone","","","","","","","","","","","","","","","","","","","","2-Benzylidene-5,6-dimethoxy-1-indanone","","COC1=C(C=C2C(=C1)CC(=CC3=CC=CC=C3)C2=O)OC","OFGKZKHSXFVVBV-RIYZIHGNSA-N","5468556",NA,"PDBC15637","671633","Present"
-"2-Benzylideneacetoacetanilide","","","","","","","","","","","","","","","","","","","","2-Benzylideneacetoacetanilide","","CC(=O)C(=CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2","YOKQJHMGPPUVAM-FOWTUZBSSA-N","5388295",NA,"PDBC15638","634644","Present"
-"2-Benzylidenecyclohexanone semicarbazone","","","","","","","","","","","","","","","","","","","","NSC629650","","C1CCC(=NNC(=O)N)C(=CC2=CC=CC=C2)C1","GNVIWFXVADWHRJ-YCNRLPBWSA-N","5371359",NA,"PDBC15639","629650","Present"
-"2-Benzylidenecyclopentanone O-(4-methylbenzoyl)oxime","","","","","","","","","","","","","","","","","","","","2-Benzylidenecyclopentanone O-(4-methylbenzoyl)oxime","","CC1=CC=C(C=C1)C(=O)ON=C2CCCC2=CC3=CC=CC=C3","JFHSIFOBUNRDQH-BXNGOJHRSA-N","9569964",NA,"PDBC15640","629649","Present"
-"2-Benzylidenecyclopentanone oxime","","","","","","","","","","","","","","","","","","","","2-Benzylidenecyclopentanone oxime","","C1CC(=CC2=CC=CC=C2)C(=NO)C1","JDMKEINRMVQHKR-ZFDSPDROSA-N","5933644",NA,"PDBC15641","629627","Present"
-"2-Benzylidenesuccinic acid","","","","","","","","","","","","","","","","","","","","succinic acid, benzylidene- (8ci)","","C1=CC=C(C=C1)C=C(CC(=O)O)C(=O)O","KYILORDWJFEQBS-RMKNXTFCSA-N","820629",NA,"PDBC15642","10134","Present"
-"2-Benzylsuccinic acid","","","","","","","","","","","","","","","","","","","","Benzylsuccinic acid","","C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O","GTOFKXZQQDSVFH-UHFFFAOYSA-N","3858",NA,"PDBC15643","20708","Present"
-"2-Benzylsulfanyl-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole","","","","","","","","","","","","","","","","","","","","2-Benzylsulfanyl-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole","","COC1=C(C=C(C=C1)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)OC","JARWZKHQXHVYDI-UHFFFAOYSA-N","45027967",NA,"PDBC15644","740358","Present"
-"2-Benzylsulfanyl-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)imidazole","","","","","","","","","","","","","","","","","","","","2-Benzylsulfanyl-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)imidazole","","COC1=C(C=C(C=C1)C2=CN(C(=N2)SCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)Cl)OC","MSXLETJPNPLYDC-UHFFFAOYSA-N","45027997",NA,"PDBC15645","740536","Present"
-"2-Benzylsulfanyl-1-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole","","","","","","","","","","","","","","","","","","","","2-Benzylsulfanyl-1-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole","","COC1=CC=C(C=C1)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC","GUWTXQDDVIKJLH-UHFFFAOYSA-N","45027957",NA,"PDBC15646","740259","Present"
-"2-Benzylsulfanyl-3-methylnaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","AE-406/41056674","","CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC3=CC=CC=C3","DVPALWYMAIMQJF-UHFFFAOYSA-N","248894",NA,"PDBC15647","66457","Present"
-"2-Benzylsulfanyl-4-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole","","","","","","","","","","","","","","","","","","","","2-Benzylsulfanyl-4-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole","","COC1=CC(=CC(=C1OC)OC)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl","KDVHXCGTNXOMGV-UHFFFAOYSA-N","45027921",NA,"PDBC15648","740126","Present"
-"2-Benzylsulfanyl-4-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazole","","","","","","","","","","","","","","","","","","","","2-Benzylsulfanyl-4-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazole","","COC1=C(C=C(C=C1)C2=CN(C(=N2)SCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)OC","APPVCRXTKVIGDF-UHFFFAOYSA-N","45027925",NA,"PDBC15649","740132","Present"
-"2-Benzylsulfanyl-4-(4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole","","","","","","","","","","","","","","","","","","","","2-Benzylsulfanyl-4-(4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole","","COC1=CC(=CC(=C1OC)OC)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)F","PDOAMWKBSHEPIQ-UHFFFAOYSA-N","45027965",NA,"PDBC15650","740356","Present"
-"2-Benzylsulfanyl-4-chloro-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-methyl-N-(5,6-diphenyl-1,2,4-tri...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5","PUZJVQPFOQYSGW-UHFFFAOYSA-N","11753294",NA,"PDBC15651","725853","Present"
-"2-Benzylsulfanyl-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","2-Benzylsulfanyl-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","CC1=CC(=O)N2C(=N1)SC(=N2)SCC3=CC=CC=C3","BULMFBQRNNVFKC-UHFFFAOYSA-N","383729",NA,"PDBC15652","672158","Present"
-"2-Benzylsulfanyl-N-ethyl-thiazolo[5,4-d]pyrimidin-7-amine","","","","","","","","","","","","","","","","","","","","2-Benzylsulfanyl-N-ethyl-thiazolo[5,4-d]pyrimidin-7-amine","","CCNC1=C2C(=NC=N1)SC(=N2)SCC3=CC=CC=C3","TYWNEWUDTLNZRS-UHFFFAOYSA-N","380056",NA,"PDBC15653","665354","Present"
-"2-Benzylsulfanylimidazo[2,1-a]isoquinoline-3-carbohydrazide","","","","","","","","","","","","","","","","","","","","2-Benzylsulfanylimidazo[2,1-a]isoquinoline-3-carbohydrazide","","C1=CC=C(C=C1)CSC2=C(N3C=CC4=CC=CC=C4C3=N2)C(=O)NN","PKLMMYXNFAOWAQ-UHFFFAOYSA-N","389955",NA,"PDBC15654","686658","Present"
-"2-Benzylsulfonyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole","","","","","","","","","","","","","","","","","","","","2-Benzylsulfonyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole","","C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(S2)S(=O)(=O)C3=CC=C(C=C3)Cl","XMRHKTZYDJMPAW-UHFFFAOYSA-N","395048",NA,"PDBC15655","699233","Present"
-"2-Benzylsulfonyl-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole","","","","","","","","","","","","","","","","","","","","2-Benzylsulfonyl-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole","","COC1=CC=C(C=C1)S(=O)(=O)C2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3","SZMSUBIMJJZYKA-UHFFFAOYSA-N","395049",NA,"PDBC15656","699234","Present"
-"2-Benzylthio-4-chloro-2-(4-chlorophenylcarbamoyl)-N-(5,2,4-triazin-3-yl)-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-2-(4-chlorophenylcarbamoyl)-N-(5,6...","","C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl)S(=O)(=O)NC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6","DSQJLYQTDWUCFV-UHFFFAOYSA-N","11262540",NA,"PDBC15657","728506","Present"
-"2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)-N-(1,3-ben zoxazol-2-yl)-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)-N-(1,3...","","C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)NC4=NC5=CC=CC=C5O4","GSMYEYYUFIVKNK-UHFFFAOYSA-N","16092411",NA,"PDBC15658","734054","Present"
-"2-Benzylthio-4-chloro-5-(4-methylphenylcarbamoyl)-N-5,2,4-triazin-3-yl)-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-(4-methylphenylcarbamoyl)-N-5,6-...","","CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SCC3=CC=CC=C3)S(=O)(=O)NC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6","WQUDDFOHHTZGOJ-UHFFFAOYSA-N","11169881",NA,"PDBC15659","731387","Present"
-"2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzothiazol-2-yl)benze nesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzothiazol-2-yl)b...","","C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC4=CC=CC=C4S3","PXJLWPYYQRDLDY-UHFFFAOYSA-N","16092416",NA,"PDBC15660","734048","Present"
-"2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzoxazol-2-yl)benzene sulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzoxazol-2-yl)ben...","","C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC4=CC=CC=C4O3","GXMOSDFGJBWXPG-UHFFFAOYSA-N","16092415",NA,"PDBC15661","734055","Present"
-"2-Benzylthio-4-chloro-5-cyano-N-(5,2,4-triazin-3-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-cyano-N-(5,6-diphenyl-1,2,4-tria...","","C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5","JOGZMFNOCOVZOI-UHFFFAOYSA-N","11169080",NA,"PDBC15662","731388","Present"
-"2-Benzylthio-4-chloro-5-cyano-N-(5-chloro-1,3-benzoxazol-2-y l)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-cyano-N-(5-chloro-1,3-benzoxazol...","","C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC4=C(O3)C=CC(=C4)Cl","KZYYVMWRKVQEPD-UHFFFAOYSA-N","16092430",NA,"PDBC15663","734056","Present"
-"2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzothiazol-2-yl)benz enesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzothiazol-2-yl)...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4S3","JWOQUZCAMSEJER-UHFFFAOYSA-N","16092412",NA,"PDBC15664","731398","Present"
-"2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzoxazol-2-yl)benzen esulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzoxazol-2-yl)be...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4O3","ZAQOAQZGQIDCGG-UHFFFAOYSA-N","16092421",NA,"PDBC15665","731397","Present"
-"2-Benzylthio-4-chloro-5-methyl-N-(2,3-dihydro-1H-benzimidazo l-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-methyl-N-(2,3-dihydro-1H-benzimi...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N3","BOBLDRSNASJIPU-UHFFFAOYSA-N","16092413",NA,"PDBC15666","731399","Present"
-"2-Benzylthio-4-chloro-5-methyl-N-(5,2,4-triazin-3-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-methyl-N-(5,6-difuryl-1,2,4-tria...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CO4)C5=CC=CO5","PJMJZXDYAFOPTD-UHFFFAOYSA-N","11444068",NA,"PDBC15667","725854","Present"
-"2-Benzylthio-4-chloro-5-methyl-N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-methyl-N-(5-chloro-1,3-benzoxazo...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=C(O3)C=CC(=C4)Cl","XQJMRHHDFOFEAM-UHFFFAOYSA-N","16092408",NA,"PDBC15668","734050","Present"
-"2-Benzylthio-4-chloro-5-phenylcarbamoyl-N-(1,3-benzoxazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-5-phenylcarbamoyl-N-(1,3-benzoxazo...","","C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=CC=C3)S(=O)(=O)NC4=NC5=CC=CC=C5O4","ACFJZHDBJXTPCJ-UHFFFAOYSA-N","16092425",NA,"PDBC15669","734053","Present"
-"2-Benzylthio-4-chloro-N-(5,2,4]triazepin-3-yl)-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-N-(5,7-dimethyl-2H-[1,2,4]triazepi...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C3NNC(=CC(=N3)C)C","MOGNILOFUZOVGP-UHFFFAOYSA-N","135580440",NA,"PDBC15670","740023","Present"
-"2-Benzylthio-4-chloro-N-[imino(3,5-trimethylpyrazol-1-yl)methyl]-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-4-chloro-N-[imino(3,4,5-trimethylpyrazol-1-...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C(N)N3C(=C(C(=N3)C)C)C","GCLSBGNOYYNFDZ-UHFFFAOYSA-N","45029269",NA,"PDBC15671","745957","Present"
-"2-Benzylthio-5-carbamoyl-4-chloro-N-(5,2,4-tria zin-3-yl)benzene-sulfonamide","","","","","","","","","","","","","","","","","","","","2-Benzylthio-5-carbamoyl-4-chloro-N-(5,6-diphenyl-1,2,4-...","","C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)N)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5","XYWJTRWORNLFNS-UHFFFAOYSA-N","11490199",NA,"PDBC15672","728503","Present"
-"2-Biphenyl-4-yl-1H-indole","","","","","","","","","","","","","","","","","","","","ZX-AT019457","","C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N3","IZQXDFSSLHWRBK-UHFFFAOYSA-N","392904",NA,"PDBC15673","694086","Present"
-"2-Bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile","","","","","","","","","","","","","","","","","","","","Bis(4-methylphenyl)(1-cyanoisoquinolin-2(1h)-yl)phosphonate","","CC1=CC=C(C=C1)OP(=O)(N2C=CC3=CC=CC=C3C2C#N)OC4=CC=C(C=C4)C","NFXWVIKRJLDWAX-UHFFFAOYSA-N","275224",NA,"PDBC15674","121912","Present"
-"2-Bromo-1,1,1-triethoxybutane","","","","","","","","","","","","","","","","","","","","2-Bromo-1,1,1-triethoxybutane","","CCC(C(OCC)(OCC)OCC)Br","SYCWKBWBOFFPRX-UHFFFAOYSA-N","371776",NA,"PDBC15675","646220","Present"
-"2-Bromo-1,4,8-trimethoxy-6-methylnaphthalene","","","","","","","","","","","","","","","","","","","","2-bromo-6-methyl-1,4,8-trimethoxynaphthalene","","CC1=CC2=C(C(=C1)OC)C(=C(C=C2OC)Br)OC","OUAKQCJUQMXAJD-UHFFFAOYSA-N","378441",NA,"PDBC15676","660979","Present"
-"2-Bromo-1-(((2,2-dimethylpropanoyl)oxy)methyl)ethyl octanoate","","","","","","","","","","","","","","","","","","","","2-Bromo-1-(((2,2-dimethylpropanoyl)oxy)methyl)ethyl octanoate","","CCCCCCCC(=O)OC(COC(=O)C(C)(C)C)CBr","LETSCFJOIJFRKL-UHFFFAOYSA-N","372445",NA,"PDBC15677","647559","Present"
-"2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone","","CC1=CC(=C(C=C1OC)C(=O)CBr)OC","WEEDBQSHFOQUJF-UHFFFAOYSA-N","356335",NA,"PDBC15678","611749","Present"
-"2-Bromo-1-(9-bromo-3-phenanthryl)-1-propanone","","","","","","","","","","","","","","","","","","","","2-bromo-1-(9-bromophenanthren-3-yl)-propan-1-one","","CC(C(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br)Br","XKFXWHCSXIYNLB-UHFFFAOYSA-N","239421",NA,"PDBC15679","44480","Present"
-"2-Bromo-1-(9-bromophenanthren-3-yl)ethanone","","","","","","","","","","","","","","","","","","","","NSC44473","","C1=CC=C2C(=C1)C(=CC3=C2C=C(C=C3)C(=O)CBr)Br","BDHMAQXMGPVBBE-UHFFFAOYSA-N","239414",NA,"PDBC15680","44473","Present"
-"2-Bromo-1-N,3-N-bis(1-hydroxy-2-methylpropan-2-yl)benzene-1,3-dicarboxamide","","","","","","","","","","","","","","","","","","","","2-Bromo-N~1~,N~3~-bis(2-hydroxy-1,1-dimethylethyl)isophthalamide","","CC(C)(CO)NC(=O)C1=C(C(=CC=C1)C(=O)NC(C)(C)CO)Br","VHDPUTDSLIAKAB-UHFFFAOYSA-N","395335",NA,"PDBC15681","699817","Present"
-"2-Bromo-1-[11-(2-bromoacetyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecan-3-yl]ethanone","","","","","","","","","","","","","","","","","","","","7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane, 3...","","C1CN(CCC12SC3(CCN(CC3)C(=O)CBr)SS2)C(=O)CBr","CKAKUWCYKQVESI-UHFFFAOYSA-N","301256",NA,"PDBC15682","177845","Present"
-"2-Bromo-1-[6-(2-bromopyridin-1-ium-1-yl)naphthalen-2-yl]pyridin-1-ium;bromide","","","","","","","","","","","","","","","","","","","","2-Bromo-1-[6-(2-bromopyridin-1-ium-1-yl)naphthalen-2-yl]pyridin-1-ium;bromide","","C1=CC=[N+](C(=C1)Br)C2=CC3=C(C=C2)C=C(C=C3)[N+]4=CC=CC=C4Br.[Br-]","GMSFZPAYPYHBEY-UHFFFAOYSA-M","54608313",NA,"PDBC15683","129757","Present"
-"2-Bromo-1-fluoro-4,5-dinitroimidazole","","","","","","","","","","","","","","","","","","","","2-Bromo-1-fluoro-4,5-dinitro-imidazole","","C1(=C(N(C(=N1)Br)F)[N+](=O)[O-])[N+](=O)[O-]","MELVVRWBKAEMRH-UHFFFAOYSA-N","390556",NA,"PDBC15684","688042","Present"
-"2-Bromo-10-(3-bromo-10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one","","","","","","","","","","","","","","","","","","","","2-Bromo-10-(3-bromo-10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one","","C1=CC=C2C(=C1)C(C3=C(C2=O)C=C(C=C3)Br)C4C5=C(C=C(C=C5)Br)C(=O)C6=CC=CC=C46","MRHBNEKBCCVSMN-UHFFFAOYSA-N","417379",NA,"PDBC15685","90318","Present"
-"2-Bromo-1H-indole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","FCH1375633","","C1=CC=C2C(=C1)C(=C(N2)Br)C=O","WIRLVLFYTTULCM-UHFFFAOYSA-N","360191",NA,"PDBC15686","622163","Present"
-"2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone","","","","","","","","","","","","","","","","","","","","2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone","","CC1=CC=C(C=C1)S(=O)(=O)CC2(CCC3=CC=CC=C3C2=O)Br","HLFWFYVMWBSMLM-UHFFFAOYSA-N","322770",NA,"PDBC15687","280893","Present"
-"2-Bromo-2-methyl-1-indanone","","","","","","","","","","","","","","","","","","","","1H-Inden-1-one, 2-bromo-2,3-dihydro-2-methyl-","","CC1(CC2=CC=CC=C2C1=O)Br","RECHMHWGWSZYCV-UHFFFAOYSA-N","296770",NA,"PDBC15688","167249","Present"
-"2-Bromo-3,4,5-trimethoxy-N-(1-naphthyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Bromo-3,4,5-trimethoxy-N-(1-naphthyl)benzamide","","COC1=C(C(=C(C(=C1)C(=O)NC2=CC=CC3=CC=CC=C32)Br)OC)OC","KYWXMRXJBFKMTF-UHFFFAOYSA-N","371255",NA,"PDBC15689","645312","Present"
-"2-Bromo-3,4,5-triphenyl-2,4-cyclopentadien-1-one","","","","","","","","","","","","","","","","","","","","2,4-Cyclopentadien-1-one, 2-bromo-3,4,5-triphenyl- (9CI)","","C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=CC=C3)Br)C4=CC=CC=C4","DBJSHCMPSZHIQH-UHFFFAOYSA-N","361740",NA,"PDBC15690","624982","Present"
-"2-Bromo-3,5,6,7-tetrahydro-2H-s-indacen-1-one","","","","","","","","","","","","","","","","","","","","2-Bromo-3,5,6,7-tetrahydro-s-indacen-1(2H)-one","","C1CC2=CC3=C(C=C2C1)C(=O)C(C3)Br","VWGJPHHXTSTPJQ-UHFFFAOYSA-N","382667",NA,"PDBC15691","670315","Present"
-"2-Bromo-3-(methylamino)-9,10-[1,2]benzenoanthra cene-1,4,5,8-tetraone.","","","","","","","","","","","","","","","","","","","","2-Bromo-3-(methylamino)-9,10-dihydro-9,10-[1,2]benzenoan...","","CNC1=C(C(=O)C2=C(C1=O)C3C4=CC=CC=C4C2C5=C3C(=O)C=CC5=O)Br","ANBWXNVQEYDOIS-UHFFFAOYSA-N","10273756",NA,"PDBC15692","727283","Present"
-"2-Bromo-3-benzyloxy-4-methoxybenzoic Acid","","","","","","","","","","","","","","","","","","","","ACM135586173","","COC1=C(C(=C(C=C1)C(=O)O)Br)OCC2=CC=CC=C2","MNQPGCQOYAYWKT-UHFFFAOYSA-N","359190",NA,"PDBC15693","619872","Present"
-"2-Bromo-3-methoxy-6-(methylamino)-9,10-[1,2]be nzenoanthracene-1,4,5,8-tetraone.","","","","","","","","","","","","","","","","","","","","2-Bromo-3-methoxy-6-(methylamino)-9,10-dihydrdo-9,10-[1,...","","CNC1=CC(=O)C2=C(C1=O)C3C4=CC=CC=C4C2C5=C3C(=O)C(=C(C5=O)Br)OC","WNABUEWSBVIKOQ-UHFFFAOYSA-N","10389134",NA,"PDBC15694","727284","Present"
-"2-Bromo-3-methoxy-9,10-[1,2]benzenoanthracene-1,4,5,8-tetraone.","","","","","","","","","","","","","","","","","","","","2-Bromo-3-methoxy-9,10-dihydro-9,10-[1,2]benzenoanthrace...","","COC1=C(C(=O)C2=C(C1=O)C3C4=CC=CC=C4C2C5=C3C(=O)C=CC5=O)Br","DMKIHWHRRCVLFV-UHFFFAOYSA-N","22629990",NA,"PDBC15695","727282","Present"
-"2-Bromo-4,5-bis(trifluoromethyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-Bromo-4,5-bis(trifluoromethyl)-1H-imidazole","","C1(=C(N=C(N1)Br)C(F)(F)F)C(F)(F)F","IJFRBJRVYMDYGB-UHFFFAOYSA-N","357610",NA,"PDBC15696","617134","Present"
-"2-Bromo-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline","","","","","","","","","","","","","","","","","","","","2-Bromo-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline","","C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)Br)N","JKSUHEKFAYBVSV-UHFFFAOYSA-N","399248",NA,"PDBC15697","709925","Present"
-"2-Bromo-4-methyl-(2'-methyl-4'-N,N-bis-cyanoethylamino) azobenzene","","","","","","","","","","","","","","","","","","","","2-Bromo-4-methyl-(2'-methyl-4'-N,N-bis-cyanoethylamino) ...","","CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N(CCC#N)CCC#N)C)Br","KTQYMHQOZGQFBR-UHFFFAOYSA-N","365299",NA,"PDBC15698","632850","Present"
-"2-Bromo-4-methyl-1,3,5-trinitrobenzene","","","","","","","","","","","","","","","","","","","","3-BROMO-2,4,6-TRINITROTOLUENE","","CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-]","IKHFDQSVNNIGEN-UHFFFAOYSA-N","219376",NA,"PDBC15699","596","Present"
-"2-Bromo-4-methyl-6-(1,3-thiazol-4-yl)phenol","","","","","","","","","","","","","","","","","","","","2-Bromo-4-methyl-6-(1,3-thiazol-4-yl)phenol","","CC1=CC(=C(C(=C1)Br)O)C2=CSC=N2","VIAQIVXAXARHFM-UHFFFAOYSA-N","381601",NA,"PDBC15700","668410","Present"
-"2-Bromo-4-pyrrol-1-yl-4,5-dihydrocyclopenta[b]thiophen-6-one","","","","","","","","","","","","","","","","","","","","2-Bromo-4-pyrrol-1-yl-4,5-dihydrocyclopenta[b]thiophen-6-one","","C1C(C2=C(C1=O)SC(=C2)Br)N3C=CC=C3","OAAZQISSLGPNPV-UHFFFAOYSA-N","398915",NA,"PDBC15701","709149","Present"
-"2-Bromo-4-tert-butylphenol","","","","","","","","","","","","","","","","","","","","4-tert-butyl-2-bromophenol","","CC(C)(C)C1=CC(=C(C=C1)O)Br","FFRLMQPMGIMHHQ-UHFFFAOYSA-N","75147",NA,"PDBC15702","2360","Present"
-"2-Bromo-5,8-dihydroxy-3-methyl-1,4-naphthalenedione","","","","","","","","","","","","","","","","","","","","2-Bromo-5,8-dihydroxy-3-methyl-1,4-naphthoquinone","","CC1=C(C2=C(C(=O)C=CC2=O)C(=C1Br)O)O","KURMYAWKKZTBDE-UHFFFAOYSA-N","378912",NA,"PDBC15703","662383","Present"
-"2-Bromo-5-[5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene","","","","","","","","","","","","","","","","","","","","2-Bromo-5-[5-[5-(5-bromo-2-thienyl)-2-thienyl]-2-thienyl]thiophene","","C1=C(SC(=C1)C2=CC=C(S2)Br)C3=CC=C(S3)C4=CC=C(S4)Br","ZVEGKKDAXLEMBC-UHFFFAOYSA-N","395543",NA,"PDBC15704","700235","Present"
-"2-Bromo-5-chloro-3-nitropyridine","","","","","","","","","","","","","","","","","","","","KSC495S5L","","C1=C(C=NC(=C1[N+](=O)[O-])Br)Cl","VFMIDVIAQMFGGP-UHFFFAOYSA-N","280681",NA,"PDBC15705","132666","Present"
-"2-Bromo-5-hydroxybenzaldehyde","","","","","","","","","","","","","","","","","","","","salicylaldehyde, 5-bromo- (8ci)","","C1=CC(=C(C=C1O)C=O)Br","SCRQAWQJSSKCFN-UHFFFAOYSA-N","387179",NA,"PDBC15706","680715","Present"
-"2-Bromo-5-methoxybenzal-2',3'-dimethoxy-5-naphthylamine","","","","","","","","","","","","","","","","","","","","2-Bromo-5-methoxybenzal-2',3'-dimethoxy-5-naphthylamine","","COC1=CC(=C(C=C1)Br)C=NC2=CC=CC3=CC(=C(C=C32)OC)OC","MKPKJMRTAOPOIE-UHFFFAOYSA-N","387181",NA,"PDBC15707","680717","Present"
-"2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","1,4-Benzoquinone, 2-bromo-5-methoxy-","","COC1=CC(=O)C(=CC1=O)Br","YNEPNZYQQQVSNM-UHFFFAOYSA-N","360922",NA,"PDBC15708","623636","Present"
-"2-Bromo-6-(((3-bromo-5-tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)-4-tert-butylphenol","","","","","","","","","","","","","","","","","","","","2-Bromo-6-(((3-bromo-5-tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)-4-tert-butylphenol","","CC(C)(C)C1=CC(=C(C(=C1)Br)O)CN(CC2=C(C(=CC(=C2)C(C)(C)C)Br)O)C3CCCCC3","NQIXBTDGJGXIGS-UHFFFAOYSA-N","241069",NA,"PDBC15709","48171","Present"
-"2-Bromo-6-(((3-bromo-5-tert-butyl-2-hydroxybenzyl)(methyl)amino)methyl)-4-tert-butylphenol","","","","","","","","","","","","","","","","","","","","2-Bromo-6-(((3-bromo-5-tert-butyl-2-hydroxybenzyl)(methyl)amino)methyl)-4-tert-butylphenol","","CC(C)(C)C1=CC(=C(C(=C1)Br)O)CN(C)CC2=C(C(=CC(=C2)C(C)(C)C)Br)O","PYYGJCYIQDJBDR-UHFFFAOYSA-N","241482",NA,"PDBC15710","48881","Present"
-"2-Bromo-6-(5-(4-methoxyphenyl)-3-isoxazolyl)-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-Bromo-6-(5-(4-methoxyphenyl)-3-isoxazolyl)-4-methylphenol","","CC1=CC(=C(C(=C1)Br)O)C2=NOC(=C2)C3=CC=C(C=C3)OC","XCTYDHVGKNVUMM-UHFFFAOYSA-N","355054",NA,"PDBC15711","607993","Present"
-"2-Bromo-6-[2-[3-[2-(6-bromopyridin-2-yl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolan-2-yl]pyridine","","","","","","","","","","","","","","","","","","","","2-Bromo-6-[2-[3-[2-(6-bromo-2-pyridyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolan-2-yl]pyridine","","C1COC(O1)(CCCC2(OCCO2)C3=NC(=CC=C3)Br)C4=NC(=CC=C4)Br","QHDMMNGCYNWFOV-UHFFFAOYSA-N","395731",NA,"PDBC15712","700530","Present"
-"2-Bromo-6-methylpyridine 1-oxide","","","","","","","","","","","","","","","","","","","","NSC156877","","CC1=[N+](C(=CC=C1)Br)[O-]","LZOXAGOIFMCDHY-UHFFFAOYSA-N","3652084",NA,"PDBC15713","156877","Present"
-"2-Bromo-6H,7H-chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","2-Bromo-6H,7H-chromeno[4,3-b]chromene","","C1C2=C(C3=C(C=CC(=C3)Br)OC2)OC4=CC=CC=C41","UWWPRKNNHZUKAR-UHFFFAOYSA-N","387606",NA,"PDBC15714","681615","Present"
-"2-Bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-Bromo-7-(piperidin-1-yl)-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","","C1CCN(CC1)C2=CNC3=C2N=C(NC3=O)Br","RKIGKVJUUBVEBE-UHFFFAOYSA-N","135408950",NA,"PDBC15715","649053","Present"
-"2-Bromo-8-[(dimethylamino)methyl]cyclooctan-1-one;oxalic acid","","","","","","","","","","","","","","","","","","","","2-Bromo-8-[(dimethylamino)methyl]cyclooctan-1-one;oxalic acid","","CN(C)CC1CCCCCC(C1=O)Br.C(=O)(C(=O)O)O","WEBBBOSZQRICEM-UHFFFAOYSA-N","279600",NA,"PDBC15716","130789","Present"
-"2-Bromo-8-hydroxy-6-methylnaphthoquinone","","","","","","","","","","","","","","","","","","","","2-bromo-8-hydroxy-6-methyl-1,4-naphthoquinone","","CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)Br","JTXZJKMQLWGQLZ-UHFFFAOYSA-N","378439",NA,"PDBC15717","660977","Present"
-"2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-bromo-8-methoxy-6-methyl-1,4-naphthoquinone","","CC1=CC2=C(C(=C1)OC)C(=O)C(=CC2=O)Br","HFDAFGDBMLSVEX-UHFFFAOYSA-N","378440",NA,"PDBC15718","660978","Present"
-"2-Bromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]-6-methylsulfanyl-purine","","","","","","","","","","","","","","","","","","","","2-Bromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-6-methylsulfanylpurine","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4SC)Br)OC5=CC=C(C=C5)C","ZEJFHWGTXVQPMG-UHFFFAOYSA-N","389536",NA,"PDBC15719","685834","Present"
-"2-Bromo-N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline","","","","","","","","","","","","","","","","","","","","2-Bromo-N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline","","CC1=CN2C=C(N=C2C=C1)C3=CC(=C(C=C3)N(C)C)Br","PPBRMMFRJBQXTG-UHFFFAOYSA-N","24756574",NA,"PDBC15720","741594","Present"
-"2-Bromo-N,N-dimethyl-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purin-6-amine","","","","","","","","","","","","","","","","","","","","2-Bromo-N,N-dimethyl-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purin-6-amine","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4N(C)C)Br)OC5=CC=C(C=C5)C","UFVKUBPGGMJFAB-UHFFFAOYSA-N","389509",NA,"PDBC15721","685796","Present"
-"2-Bromo-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)-2-methylpropanamide","","","","","","","","","","","","","","","","","","","","2-Bromo-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)-2-methylpropanamide","","CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)NC(=O)C(C)(C)Br","HUDOVPXYMPVBGY-UHFFFAOYSA-N","373051",NA,"PDBC15722","648884","Present"
-"2-Bromo-N-(6,7-dimethoxy-1-naphthyl)-3,4,5-trimethoxybenzamide","","","","","","","","","","","","","","","","","","","","2-Bromo-N-(6,7-dimethoxy-1-naphthyl)-3,4,5-trimethoxybenzamide","","COC1=C(C=C2C(=C1)C=CC=C2NC(=O)C3=CC(=C(C(=C3Br)OC)OC)OC)OC","UYBWFMHEBYQANW-UHFFFAOYSA-N","371206",NA,"PDBC15723","645256","Present"
-"2-Bromo-N-[(2-imino-4-methyl-1,3-thiazol-5-ylidene)amino]aniline","","","","","","","","","","","","","","","","","","","","2-Bromo-N-[(2-imino-4-methyl-1,3-thiazol-5-ylidene)amino]aniline","","CC1=C(SC(=N1)N)N=NC2=CC=CC=C2Br","KBPPJJJWOGWJHT-UHFFFAOYSA-N","283260",NA,"PDBC15724","137633","Present"
-"2-Bromo-myristoyl-glycinamide","","","","","","","","","","","","","","","","","","","","N-(2-Bromotetradecanoyl)glycinamide","","CCCCCCCCCCCCC(C(=O)NCC(=O)N)Br","YLYYKUPMRFKGEZ-UHFFFAOYSA-N","362877",NA,"PDBC15725","627349","Present"
-"2-Bromo-naphtho[2,3-b]furan-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-b]furan-4,9-dione, 2-bromo-","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC(=C3)Br","TWHCOSZEYZCNSM-UHFFFAOYSA-N","396287",NA,"PDBC15726","701985","Present"
-"2-Bromobenzo[c][1,5]benzodithiocine-6,12-dione","","","","","","","","","","","","","","","","","","","","2-Bromobenzo[c][1,5]benzodithiocine-6,12-dione","","C1=CC=C2C(=C1)C(=O)SC3=C(C=C(C=C3)Br)C(=O)S2","XLMPZVYVMNTYLL-UHFFFAOYSA-N","397766",NA,"PDBC15727","706189","Present"
-"2-Bromochalcone","","","","","","","","","","","","","","","","","","","","2-Bromochalcone","","C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2Br","OLPPSDMJGDTGJV-ZHACJKMWSA-N","5918180",NA,"PDBC15728","700203","Present"
-"2-Bromoethyl 4-chloro-3-nitrobenzoate","","","","","","","","","","","","","","","","","","","","2-Bromoethyl 4-chloro-3-nitrobenzoate","","C1=CC(=C(C=C1C(=O)OCCBr)[N+](=O)[O-])Cl","DXKZSAMZYQDNAX-UHFFFAOYSA-N","246056",NA,"PDBC15729","58634","Present"
-"2-Bromoleptoclinidinone","","","","","","","","","","","","","","","","","","","","2-Bromoleptoclinidinone","","C1=CC2=C(C3=NC=CC4=C5C=CC(=CC5=NC(=C43)C2=O)Br)N=C1","CPXBDTZAJSRIKJ-UHFFFAOYSA-N","378074",NA,"PDBC15730","659779","Present"
-"2-Bromopaullone","","","","","","","","","","","","","","","","","","","","2-Bromopaullone","","C1C2=C(C3=C(C=CC(=C3)Br)NC1=O)NC4=CC=CC=C24","IEEQWYMIVLKPFP-UHFFFAOYSA-N","369402",NA,"PDBC15731","641167","Present"
-"2-Bromophenazine 5,10-dioxide","","","","","","","","","","","","","","","","","","","","2-Bromophenazine 5,10-dioxide","","C1=CC=C2C(=C1)N(C3=C([N+]2=O)C=CC(=C3)Br)[O-]","QHADQMGMNWVWKS-UHFFFAOYSA-N","228612",NA,"PDBC15732","21662","Present"
-"2-Bromoquinolin-8-ol","","","","","","","","","","","","","","","","","","","","2-Bromoquinolin-8-ol","","C1=CC2=C(C(=C1)O)N=C(C=C2)Br","KPRKBBMEWFPQDJ-UHFFFAOYSA-N","384168",NA,"PDBC15733","673459","Present"
-"2-But-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","2-But-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid;2,2,2-trifluoroacetic acid","","C=CCCN1CCC2=C(C1C(=O)O)NC3=CC=CC=C23.C(=O)(C(F)(F)F)O","TZUKHKKASKPXKK-UHFFFAOYSA-N","359308",NA,"PDBC15734","620058","Present"
-"2-But-3-enyl-2-(2-diphenylphosphorylethyl)-1,3-dioxolane","","","","","","","","","","","","","","","","","","","","2-But-3-enyl-2-(2-diphenylphosphorylethyl)-1,3-dioxolane","","C=CCCC1(OCCO1)CCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","SFWZFTVXMFJRHP-UHFFFAOYSA-N","373308",NA,"PDBC15735","649454","Present"
-"2-Butan-2-yl-N,N'-bis[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]propanediamide","","","","","","","","","","","","","","","","","","","","2-Butan-2-yl-N,N'-bis[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]propanediamide","","CCC(C)C(C(=O)NN=C1N(C(=O)CS1)C)C(=O)NN=C2N(C(=O)CS2)C","NYNFYQSQKXBYMK-JSAVKQRWSA-N","9572137",NA,"PDBC15736","704600","Present"
-"2-Butan-2-yl-N,N'-bis[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]propanediamide","","","","","","","","","","","","","","","","","","","","2-Butan-2-yl-N,N'-bis[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]propanediamide","","CCC(C)C(C(=O)NN=C1N(C(=O)CS1)C2=CC=CC=C2)C(=O)NN=C3N(C(=O)CS3)C4=CC=CC=C4","CZDKGQFBFZQIPK-NLLYGJECSA-N","9572138",NA,"PDBC15737","704601","Present"
-"2-Butanone, 3-(4-ethoxy-3-methoxyphenyl)-4-(4-morpholinyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","2-Butanone, 3-(4-ethoxy-3-methoxyphenyl)-4-(4-morpholiny...","","CCOC1=C(C=C(C=C1)C(CN2CCOCC2)C(=O)C)OC.Cl","VJKJXUQYSWFLMB-UHFFFAOYSA-N","373901",NA,"PDBC15738","650908","Present"
-"2-Butenamide,6-dichlorophenyl)-4-oxo-","","","","","","","","","","","","","","","","","","","","2-Butenamide, 4-(2,6-dichlorophenyl)-4-oxo-","","C1=CC(=C(C(=C1)Cl)C(=O)C=CC(=O)N)Cl","ZYIKIIOWBLFSTC-SNAWJCMRSA-N","5951628",NA,"PDBC15739","306203","Present"
-"2-Butenedioic acid, diethyl ester, sodium salt","","","","","","","","","","","","","","","","","","","","2-Butenedioic acid, 2-hydroxy-3-methyl-, diethyl ester, ...","","CCOC(=O)C(=C(C(=O)OCC)O)C.[Na+]","QWDCFYNWTQWMCQ-UHDJGPCESA-N","54723286",NA,"PDBC15740","632942","Present"
-"2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-","","","","","","","","","","","","","","","","","","","","2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-","","CCOC(=O)C=C(C)SC1=C(C2=CC=CC=C2C(=C1)O)O","ZWPCTBYNLWBREY-CSKARUKUSA-N","5358773",NA,"PDBC15741","278632","Present"
-"2-Butenoic acid, sodium salt, (Z)-","","","","","","","","","","","","","","","","","","","","cytembena","","COC1=CC=C(C=C1)C(=O)C(=CC(=O)O)Br.[Na+]","DVDCIQWIGOVWEX-BORNJIKYSA-N","24190253",NA,"PDBC15742","104801","Present"
-"2-Butenoic acid,3-dibromo-4-[[(4-methylphenyl)sulfonyl]hydrazono]-, (Z)-","","","","","","","","","","","","","","","","","","","","2-Butenoic acid, 2,3-dibromo-4-[[(4-methylphenyl)sulfony...","","CC1=CC=C(C=C1)S(=O)(=O)NN=CC(=C(C(=O)O)Br)Br","MWDQHNYDQHYRKE-CHPBBVCSSA-N","54607416",NA,"PDBC15743","295563","Present"
-"2-Butenoic acid,3-dichloro-4-[(4-methylphenyl)amino]-4-oxo-","","","","","","","","","","","","","","","","","","","","2-Butenoic acid, 2,3-dichloro-4-[(4-methylphenyl)amino]-...","","CC1=CC=C(C=C1)NC(=O)C(=C(C(=O)O)Cl)Cl","LYXYEAXSHFSVNI-HJWRWDBZSA-N","5387288",NA,"PDBC15744","622378","Present"
-"2-Butenoic acid,4-dicyano-, methyl ester, (Z,E)-","","","","","","","","","","","","","","","","","","","","2-Butenoic acid, 4-[[(4-bromo-2-thienyl)methylene]amino]...","","COC(=O)C=CC(C#N)(C#N)N=CC1=CC(=CS1)Br","JOZKWGGTNATEHW-MBMVNLLUSA-N","5470360",NA,"PDBC15745","700030","Present"
-"2-Butenoic acid,4-dicyano-4-[[(5-methyl-2-thienyl)methylene]amino]-, methyl ester, (Z,E)-","","","","","","","","","","","","","","","","","","","","2-Butenoic acid, 4,4-dicyano-4-[[(5-methyl-2-thienyl)met...","","CC1=CC=C(S1)C=NC(C=CC(=O)OC)(C#N)C#N","VUHLHMSUEKQQSW-LFEODQJXSA-N","5470359",NA,"PDBC15746","700029","Present"
-"2-Butenoic acid,5-dichloro-2-[[[[2-(1-pyrrolidinyl)cyclohexyl] (methyl)amino]carbonyl]methyl]phenyl]amino]-4-oxo-, methyl ester, (1S,2S)-","","","","","","","","","","","","","","","","","","","","2-Butenoic acid, 4-[[4,5-dichloro-2-[[[[2-(1-pyrrolidiny...","","CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3NC(=O)C=CC(=O)OC)Cl)Cl","MGGNZLVJNLLKFH-FUCIWNSQSA-N","54611534",NA,"PDBC15747","707465","Present"
-"2-Butenyl(diphenyl)phosphine oxide","","","","","","","","","","","","","","","","","","","","[[(E)-but-2-enyl]-phenyl-phosphoryl]benzene","","CC=CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2","WVFNPHQWJGLLMT-NSCUHMNNSA-N","357421",NA,"PDBC15748","616251","Present"
-"2-Butoxy-3a-(4-methoxyphenyl)-3,3a-dihydroisoxazolo[2,3-a]indol-4(2H)-one","","","","","","","","","","","","","","","","","","","","2-Butoxy-3a-(4-methoxyphenyl)-3,3a-dihydroisoxazolo[2,3-a]indol-4(2H)-one","","CCCCOC1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=C(C=C4)OC","NACNPPUWAADAGY-UHFFFAOYSA-N","371278",NA,"PDBC15749","645342","Present"
-"2-Butyl-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium","","","","","","","","","","","","","","","","","","","","2-butyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide","","CCCCC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","ZEECSMOPEBPWFL-UHFFFAOYSA-N","137630537",NA,"PDBC15750","790460","Present"
-"2-Butyl-1-(morpholine-4-carbonyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one","","","","","","","","","","","","","","","","","","","","2-Butyl-1-(morpholine-4-carbonyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one","","CCCCC1=C(C2(C1=O)OCCO2)C(=O)N3CCOCC3","ITCULHQQCDRXIW-UHFFFAOYSA-N","394533",NA,"PDBC15751","698078","Present"
-"2-Butyl-1-nitro-2-cyclopropene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Butyl-1-nitrocycloprop-2-ene-1-carbonitrile","","CCCCC1=CC1(C#N)[N+](=O)[O-]","FQESXIMXYIVQQM-UHFFFAOYSA-N","378346",NA,"PDBC15752","660421","Present"
-"2-Butyl-5,5,6-trimethylbicyclo[2.2.1]heptan-2-ol","","","","","","","","","","","","","","","","","","","","2-Butyl-5,5,6-trimethylbicyclo[2.2.1]heptan-2-ol","","CCCCC1(CC2CC1C(C2(C)C)C)O","SMRFYWWGKRCKHO-UHFFFAOYSA-N","379929",NA,"PDBC15753","665121","Present"
-"2-Butyl-5-(4-(5-butyl-2-thienyl)-1,3-butadiynyl)thiophene","","","","","","","","","","","","","","","","","","","","2-Butyl-5-(4-(5-butyl-2-thienyl)-1,3-butadiynyl)thiophene","","CCCCC1=CC=C(S1)C#CC#CC2=CC=C(S2)CCCC","YVSMURAIFQAOHJ-UHFFFAOYSA-N","395511",NA,"PDBC15754","700201","Present"
-"2-Butyl-5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-pyrrolo[3,4-c]pyrrole-4,6-dione","","","","","","","","","","","","","","","","","","","","2-Butyl-5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-pyrrolo[3,4-c]pyrrole-4,6-dione","","CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CCN3CCN(CC3)C4=CC=CC=C4Cl)C","FANSPMZRWBFNLV-UHFFFAOYSA-N","387905",NA,"PDBC15755","682137","Present"
-"2-Butyl-N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]propanediamide","","","","","","","","","","","","","","","","","","","","2-Butyl-N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]propanediamide","","CCCCC(C(=O)NN=CC1=CC=C(O1)[N+](=O)[O-])C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]","PIUDTBWQMAVTBF-VNIJRHKQSA-N","9572561",NA,"PDBC15756","720240","Present"
-"2-Butyl-N,N'-bis[2-[[4-[hydroxy(methyl)amino]-4-oxo-butanoyl]amino]ethyl]propanediamide","","","","","","","","","","","","","","","","","","","","2-Butyl-N,N'-bis[2-[[4-[hydroxy(methyl)amino]-4-oxo-butanoyl]amino]ethyl]propanediamide","","CCCCC(C(=O)NCCNC(=O)CCC(=O)N(C)O)C(=O)NCCNC(=O)CCC(=O)N(C)O","FXXLBIJOWPXSQG-UHFFFAOYSA-N","396683",NA,"PDBC15757","703197","Present"
-"2-Butylamino-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]ethanol","","","","","","","","","","","","","","","","","","","","2-(Butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]ethanol;hydrochloride","","CCCCNCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl","BXAHWTDDPIRKLM-UHFFFAOYSA-N","24198829",NA,"PDBC15758","305791","Present"
-"2-Butylhydroquinone","","","","","","","","","","","","","","","","","","","","NSC99300","","CCCCC1=C(C=CC(=C1)O)O","XRCRJFOGPCJKPF-UHFFFAOYSA-N","77862",NA,"PDBC15759","99300","Present"
-"2-Butylsulfanyl-3-sulfanylideneisoindol-1-one","","","","","","","","","","","","","","","","","","","","2-Butylsulfanyl-3-sulfanylideneisoindol-1-one","","CCCCSN1C(=O)C2=CC=CC=C2C1=S","OACMCAFZTABPMO-UHFFFAOYSA-N","359288",NA,"PDBC15760","620032","Present"
-"2-Butynethioic acid, S-[2-[(1-oxopropyl)amino]ethyl] ester","","","","","","","","","","","","","","","","","","","","2-Butynethioic acid, S-[2-[(1-oxopropyl)amino]ethyl] ester","","CCC(=O)NCCSC(=O)C#CC","DHWJTQYJYJDBFM-UHFFFAOYSA-N","296627",NA,"PDBC15761","166906","Present"
-"2-Carbamoyl-1-(2-diethylaminoethyl)-4-methyl-3,4-dihydro-2H-pyridine-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Carbamoyl-1-(2-diethylaminoethyl)-4-methyl-3,4-dihydro-2H-pyridine-3-carboxylic acid","","CCN(CC)CCN1C=CC(C(C1C(=O)N)C(=O)O)C","MVSKQBPZWJAEOO-UHFFFAOYSA-N","392313",NA,"PDBC15762","692589","Present"
-"2-Carbamoylmethylthio-4-chloro-5-methyl-N-(5,2, 4-triazin-3-yl)benzene-sulfonamide","","","","","","","","","","","","","","","","","","","","2-Carbamoylmethylthio-4-chloro-5-methyl-N-(5,6-diphenyl-...","","CC1=CC(=C(C=C1Cl)SCC(=O)N)S(=O)(=O)NC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4","INWADYPHBQFPAY-UHFFFAOYSA-N","11785806",NA,"PDBC15763","728502","Present"
-"2-Carbethoxy-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylami no)-3-(4-dimethylamino-1-pyridinio)acrylonitrile","","","","","","","","","","","","","","","","","","","","2-carbethoxy-3-(4-chloro-5-methyl-2-sulfidophenylsulfony...","","CCOC(=O)C(=C(NS(=O)(=O)C1=C(C=C(C(=C1)C)Cl)[S-])[N+]2=CC=C(C=C2)N(C)C)C#N","PINKWUFMNCPFPQ-UHFFFAOYSA-N","5472671",NA,"PDBC15764","720636","Present"
-"2-Carboxy-(2'-furyl)-3-trifluoromethylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-carboxy-(2'-furyl)-3-trifluoromethylquinoxaline 1,4-di...","","C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CO3)C(F)(F)F)[O-]","GEEDPTKNQZYVOW-UHFFFAOYSA-N","23635641",NA,"PDBC15765","728086","Present"
-"2-Carboxy-(2'-furyl)-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-carboxy-(2'-furyl)-7-chloro-3-trifluoromethylquinoxali...","","C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)Cl)[O-])C(F)(F)F","JNACFPPEAPAHCP-UHFFFAOYSA-N","23635647",NA,"PDBC15766","728078","Present"
-"2-Carboxy-(2'-theonyl)-3-trifluoromethylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-carboxy-(2'-theonyl)-3-trifluoromethylquinoxaline 1,4-...","","C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CS3)C(F)(F)F)[O-]","QSROFRLTENTZLE-UHFFFAOYSA-N","23635413",NA,"PDBC15767","728082","Present"
-"2-Carboxy-(2'-theonyl)-6,4-dioxide","","","","","","","","","","","","","","","","","","","","2-carboxy-(2'-theonyl)-6,7-dichloro-3-trifluoromethylqui...","","C1=CSC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)Cl)Cl)[O-])C(F)(F)F","MKAGEBVRBXBJKL-UHFFFAOYSA-N","23635522",NA,"PDBC15768","728083","Present"
-"2-Carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole","","","","","","","","","","","","","","","","","","","","2-Carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido[1,2-a]bena...","","CCOC(=O)C1=C2NC3=CC=CC=C3N2C(=O)C(=C1)C(=O)O","NRTCMFMOUDUEPB-UHFFFAOYSA-N","189915",NA,"PDBC15769","626922","Present"
-"2-Carboxy-N-hydroxy-3-(indol-3-YL)propanamide, disodium salt","","","","","","","","","","","","","","","","","","","","2-CARBOXY-N-HYDROXY-3-(INDOL-3-YL)PROPANAMIDE, DISODIUM ...","","C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NO)C(=O)O.[Na+]","NSZKMXYLOHMBDT-UHFFFAOYSA-N","24180879",NA,"PDBC15770","2289","Present"
-"2-Carboxy-tert-butyl-6,4-dioxide","","","","","","","","","","","","","","","","","","","","2-carboxy-tert-butyl-6,7-dimethyl-3-trifluoromethylquino...","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C(C)(C)C","DNXLODGLEDKKSJ-UHFFFAOYSA-N","24203460",NA,"PDBC15771","728079","Present"
-"2-Carboxyphenyl-6,4-dioxide","","","","","","","","","","","","","","","","","","","","2-carboxyphenyl-6,7-difluoro-3-methylquinoxaline 1,4-dio...","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)C3=CC=CC=C3","RALRPYNIKWPWHZ-UHFFFAOYSA-N","24203458",NA,"PDBC15772","728075","Present"
-"2-Chloro-1,3-dinitrobenzene","","","","","","","","","","","","","","","","","","","","2,6-dinitrochlorobenzene","","C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]","BPPMIQPXQVIZNJ-UHFFFAOYSA-N","11814",NA,"PDBC15773","21276","Present"
-"2-Chloro-1,7-dimethyl-phenothiazone","","","","","","","","","","","","","","","","","","","","2-Chloro-1,7-dimethyl-phenothiazone","","CC1=CC2=C(C=C1)N=C3C(=C(C(=O)C=C3S2)Cl)C","JZSMVJJMVBBMGS-UHFFFAOYSA-N","369394",NA,"PDBC15774","641158","Present"
-"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxy-1-naphthyl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxy-1-naphthyl)-3-azetidinone","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=C(C=CC4=CC=CC=C43)O","LUMJNYMUQYSHKS-UHFFFAOYSA-N","135409011",NA,"PDBC15775","653016","Present"
-"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxyphenyl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxyphenyl)-3-azetidinone","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=CC=C3O","NAEPIZSYQQJLHE-UHFFFAOYSA-N","135409001",NA,"PDBC15776","653006","Present"
-"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3,4,5-trimethoxyphenyl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3,4,5-trimethoxyphenyl)-3-azetidinone","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=C(C(=C3)OC)OC)OC","MJJGZYDLKPNHOD-UHFFFAOYSA-N","135409010",NA,"PDBC15777","653015","Present"
-"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-(hydroxy(oxido)amino)phenyl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-{[2-Chloro-4-(3-nitrophenyl)-3-oxoazetidin-1-yl]amino}-6-methylpyrimidin-4(1H)-one","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=CC=C3)[N+](=O)[O-]","HEBFSZRHHAHSIC-UHFFFAOYSA-N","135409005",NA,"PDBC15778","653010","Present"
-"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-hydroxyphenyl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-hydroxyphenyl)-3-azetidinone","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=CC=C3)O","GNCILFLYAWIQGW-UHFFFAOYSA-N","135409003",NA,"PDBC15779","653008","Present"
-"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(4-hydroxyphenyl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(4-hydroxyphenyl)-3-azetidinone","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=C(C=C3)O","ZOWILBISMAMGLH-UHFFFAOYSA-N","135409002",NA,"PDBC15780","653007","Present"
-"2-Chloro-1-(2,4-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-(2,4-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone","","C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=C(C=C(C=C4)Cl)Cl)Cl","YDRUBTPXMIELJK-UHFFFAOYSA-N","374783",NA,"PDBC15781","653028","Present"
-"2-Chloro-1-(2,6-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-(2,6-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone","","C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=C(C=CC=C4Cl)Cl)Cl","QJCJCUBGQAJDCL-UHFFFAOYSA-N","374782",NA,"PDBC15782","653027","Present"
-"2-Chloro-1-(2-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-(2-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone","","C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC=CC=C4Cl)Cl","WNMNYNDVFMOFER-UHFFFAOYSA-N","374773",NA,"PDBC15783","653018","Present"
-"2-Chloro-1-(3-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-(3-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone","","C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC(=CC=C4)Cl)Cl","JQCSTERJERGTDG-UHFFFAOYSA-N","374774",NA,"PDBC15784","653019","Present"
-"2-Chloro-1-(4-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-(4-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone","","C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC=C(C=C4)Cl)Cl","RZQNZWGZUBUHQV-UHFFFAOYSA-N","374775",NA,"PDBC15785","653020","Present"
-"2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone","","","","","","","","","","","","","","","","","","","","ALBB-019099","","C1CN(CCN1C2=CC=CC=C2)C(=O)CCl","VHIWWIFXKVGUMK-UHFFFAOYSA-N","356999",NA,"PDBC15786","614568","Present"
-"2-Chloro-1-(benzenesulfonyl)piperidine-4-carboxilic acid biphenylamide.","","","","","","","","","","","","","","","","","","","","2-chloro-1-(benzenesulfonyl)piperidine-4-carboxilic acid...","","C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4Cl","NMWVTLQEYGTNGQ-UHFFFAOYSA-N","24204776",NA,"PDBC15787","732859","Present"
-"2-Chloro-1-[(4-hydroxy-6-methyl-pyrimidin-2-yl)amino]-4-(4-nitrophenyl)azetidin-3-one","","","","","","","","","","","","","","","","","","","","2-{[2-Chloro-4-(4-nitrophenyl)-3-oxoazetidin-1-yl]amino}-6-methylpyrimidin-4(1H)-one","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=C(C=C3)[N+](=O)[O-]","LZCIRNHZRKIXBK-UHFFFAOYSA-N","135409004",NA,"PDBC15788","653009","Present"
-"2-Chloro-1-[2-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]piperidin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-[2-[2-(1h-indol-2-yl)-1,3-dioxolan-2-yl]-1-piperidyl]ethanone","","C1CCN(C(C1)C2(OCCO2)C3=CC4=CC=CC=C4N3)C(=O)CCl","ZNHJMWXZCRMFGZ-UHFFFAOYSA-N","392271",NA,"PDBC15789","692411","Present"
-"2-Chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone","","CC1C(N(C2=CC=CC=C2N1C(=O)CCl)C(=O)CCl)C","FVCSHCORWAOAEB-UHFFFAOYSA-N","254760",NA,"PDBC15790","79304","Present"
-"2-Chloro-1-[4-(2-chloroacetyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone","","","","","","","","","","","","","","","","","","","","2-Chloro-1-[4-(2-chloroacetyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone","","CC1=CC2=C(C=C1C)N(CCN2C(=O)CCl)C(=O)CCl","DJZBOSUPODEIAK-UHFFFAOYSA-N","254759",NA,"PDBC15791","79303","Present"
-"2-Chloro-1-[4-(4-chloro-1-cyclohexyl-2,5-dihydro-1 H-3-pyrrolylamino)phenylcarboxamido]benzene","","","","","","","","","","","","","","","","","","","","2-chloro-1-[4-(4-chloro-1-cyclohexyl-2,5-dioxo-2,5-dihyd...","","C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl","WRPVJVKRDSRHBC-UHFFFAOYSA-N","1676327",NA,"PDBC15792","743227","Present"
-"2-Chloro-1-nitrosopyrido[3',5]pyrrolo[1,2-C]benzotriazine","","","","","","","","","","","","","","","","","","","","2-CHLORO-1-NITROSOPYRIDO[3',2':4,5]PYRROLO[1,2-C]BENZOTR...","","C1=CC2=C(N=C1)N3C(=C2N=O)C4=C(C=CC(=C4)Cl)N=N3","NKVYTVUJRIQSCI-UHFFFAOYSA-N","54613654",NA,"PDBC15793","747651","Present"
-"2-Chloro-10-(2-chloropropyl)phenothiazine","","","","","","","","","","","","","","","","","","","","LS-105344","","CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)Cl","WMLOGBMMUXVWHK-UHFFFAOYSA-N","267542",NA,"PDBC15794","106886","Present"
-"2-Chloro-10-(3-pyrrolidin-1-ylpropyl)phenothiazine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC17471","","C1CCN(C1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl","MSNUZRBYXHYCSY-UHFFFAOYSA-N","24182518",NA,"PDBC15795","17471","Present"
-"2-Chloro-10-[(1-ethyl-3-propylpyrrolidin-3-yl)methyl]phenothiazine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Chloro-10-[(1-ethyl-3-propylpyrrolidin-3-yl)methyl]phenothiazine;hydrochloride","","CCCC1(CCN(C1)CC)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl","CGYMWJRCWTWHCE-UHFFFAOYSA-N","24192657",NA,"PDBC15796","141897","Present"
-"2-Chloro-10-[[1-ethyl-3-(2-methoxyethyl)pyrrolidin-3-yl]methyl]phenothiazine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Chloro-10-[[1-ethyl-3-(2-methoxyethyl)pyrrolidin-3-yl]methyl]phenothiazine;hydrochloride","","CCN1CCC(C1)(CCOC)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl","GJHFQQKQXNPVLX-UHFFFAOYSA-N","24192658",NA,"PDBC15797","141898","Present"
-"2-Chloro-13-methyl-11H-indolo[2,1-c][1,4]benzodiazepine-6,12-dione","","","","","","","","","","","","","","","","","","","","5H-Indeno[1,2-a][1,4]benzodiazepin-6,13-dione, 9-chloro-...","","CC1=C2C(=O)NC3=CC=CC=C3C(=O)N2C4=C1C=C(C=C4)Cl","VIMSCURFJXUCGH-UHFFFAOYSA-N","372528",NA,"PDBC15798","647707","Present"
-"2-Chloro-2', tetrasodium salt","","","","","","","","","","","","","","","","","","","","2-Chloro-2',3'-dideoxyadenosine-5'-triphosphate, tetraso...","","C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C(N=C(N=C32)Cl)N.[Na+]","HXILWMXZXOVHEY-UHFFFAOYSA-N","54608644",NA,"PDBC15799","626558","Present"
-"2-Chloro-2',3'-dideoxyadenosine","","","","","","","","","","","","","","","","","","","","2-Chloro-2',3'-dideoxyadenosine","","C1CC(OC1CO)N2C=NC3=C(N=C(N=C32)Cl)N","FNLILOONPKMGST-UHFFFAOYSA-N","359064",NA,"PDBC15800","619531","Present"
-"2-Chloro-3-(1-(4-methyl)piperazino)naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(1-(4-methyl)piperazino)naphthazarin","","CN1CCN(CC1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl","QMGQSPDLYIXNEH-UHFFFAOYSA-N","378627",NA,"PDBC15801","661420","Present"
-"2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC4=C(C=C3)C=NN4","NYOUWELKHWCYQM-UHFFFAOYSA-N","265940",NA,"PDBC15802","102742","Present"
-"2-Chloro-3-(2-butoxyethoxy)naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(2-butoxyethoxy)naphthazarin","","CCCCOCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl","KDIWHPWBVKZOQU-UHFFFAOYSA-N","135406263",NA,"PDBC15803","661415","Present"
-"2-Chloro-3-(2-chloroethoxy)-naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(2-chloroethoxy)-naphthazarin","","C1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)Cl)OCCCl)O","FSOLLRBZCSCIBQ-UHFFFAOYSA-N","135409156",NA,"PDBC15804","660634","Present"
-"2-Chloro-3-(2-hydroxy-1,1-dimethyl-ethylamino)naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(2-hydroxy-1,1-dimethyl-ethylamino)naphthazarin","","CC(C)(CO)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","FTOXTWIPCFDJIH-UHFFFAOYSA-N","378904",NA,"PDBC15805","662375","Present"
-"2-Chloro-3-(2-hydroxyphenyl)-2-methyl-3-oxo-N-propylpropanamide","","","","","","","","","","","","","","","","","","","","Benzenepropanamide, .alpha.-chloro-2-hydroxy-.alpha.-met...","","CCCNC(=O)C(C)(C(=O)C1=CC=CC=C1O)Cl","YHTCXJBBBYKKDF-UHFFFAOYSA-N","362782",NA,"PDBC15806","627059","Present"
-"2-Chloro-3-(2-methoxyethoxy)-[1,4]naphthoquinone, 2-chloro-3-(2-methoxyethoxy)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(2-methoxyethoxy)-[1,4]naphthoquinone, 2-chlo...","","COCCOC1=C(C(=O)C2=CC=CC=C2C1=O)Cl","DOERRIQXBBYUMX-UHFFFAOYSA-N","25113707",NA,"PDBC15807","752641","Present"
-"2-Chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione","","CC1COCC(N1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C","JGYJREAOLDRIGO-UHFFFAOYSA-N","267286",NA,"PDBC15808","106442","Present"
-"2-Chloro-3-(3-(N-morpholino)propylamino)-naphthazarine","","","","","","","","","","","","","","","","","","","","2-chloro-3-(3-(N-morpholino)propylamino)-naphthazarine","","C1COCCN1CCCNC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","GCLGFRWOGRFJNL-UHFFFAOYSA-N","379081",NA,"PDBC15809","663289","Present"
-"2-Chloro-3-(3-(dimethylamino)propylamino)naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(3-(dimethylamino)propylamino)naphthazarin","","CN(C)CCCNC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","FYAQQFSMCNGSDB-UHFFFAOYSA-N","378903",NA,"PDBC15810","662374","Present"
-"2-Chloro-3-(3-chloro-3-methylbutyl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(3-chloro-3-methylbutyl)naphthalene-1,4-dione","","CC(C)(CCC1=C(C(=O)C2=CC=CC=C2C1=O)Cl)Cl","MVFPWJMGSMYFJF-UHFFFAOYSA-N","265521",NA,"PDBC15811","101643","Present"
-"2-Chloro-3-(3-chloro-propyloxy)-naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(3-chloro-propyloxy)-naphthazarin","","C1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)Cl)OCCCCl)O","PHWVXXRUQVIBQQ-UHFFFAOYSA-N","135409155",NA,"PDBC15812","660633","Present"
-"2-Chloro-3-(3-methylthioureidocarbonyl)-1H-indole-1-carboxylic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(3-methylthioureidocarbonyl)-1H-indole-1-carboxylic acid tert-butyl ester","","CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C(=O)NC(=S)NC","XXDQBSXSJQCMIS-UHFFFAOYSA-N","5472899",NA,"PDBC15813","722436","Present"
-"2-Chloro-3-(N-(L)-tyrosinamido)naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(N-(L)-tyrosinamido)naphthazarin","","C1=CC(=CC=C1CC(C(=O)N)NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)O","LCOPGVLOUQXVDH-JTQLQIEISA-N","6712245",NA,"PDBC15814","662376","Present"
-"2-Chloro-3-(N-(L-2-ethylglycino))naphthazarin methyl ester","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(N-(L-2-ethylglycino))naphthazarin methyl ester","","CCC(C(=O)OC)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","UKCHYXFGECTWJD-LURJTMIESA-N","378766",NA,"PDBC15815","661936","Present"
-"2-Chloro-3-(N-(L-isoleucino))naphthazarin methyl ester","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(N-(L-isoleucino))naphthazarin methyl ester","","CCC(C)C(C(=O)OC)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","IGLQZBOWBWKHHF-URRWNQLISA-N","378773",NA,"PDBC15816","661943","Present"
-"2-Chloro-3-(N-L-alanino)naphthazarin p-nitrophenylamide","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(N-L-alanino)naphthazarin p-nitrophenylamide","","CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","BWWHZEWDBOVAHI-QMMMGPOBSA-N","6712248",NA,"PDBC15817","662380","Present"
-"2-Chloro-3-(N-L-leucino)naphthazarin methyl ester","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(N-L-leucino)naphthazarin methyl ester","","CC(C)CC(C(=O)OC)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","TUTKOPUIUYUNCI-QMMMGPOBSA-N","6712247",NA,"PDBC15818","662379","Present"
-"2-Chloro-3-(N-L-phenylalanino)naphthazarin benzyl ester","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(N-L-phenylalanino)naphthazarin benzyl ester","","C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC3=C(C4=C(C(=O)C=CC4=O)C(=C3Cl)O)O","MYMMJDIIMXOXGG-KRWDZBQOSA-N","6712246",NA,"PDBC15819","662378","Present"
-"2-Chloro-3-(N-L-serino)naphthazarin ethyl ester","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(N-L-serino)naphthazarin ethyl ester","","CCOC(=O)C(CO)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","JODOBRUJLKGHBT-LURJTMIESA-N","6712232",NA,"PDBC15820","661935","Present"
-"2-Chloro-3-(N-p-ethylamino-morpholino)-naphthazarine","","","","","","","","","","","","","","","","","","","","2-chloro-3-(N-p-ethylamino-morpholino)-naphthazarine","","C1COCCN1CCNC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","VIIJNUIHTSMPSC-UHFFFAOYSA-N","378900",NA,"PDBC15821","662371","Present"
-"2-Chloro-3-(N-p-hexyloxyanilino)-naphthazarine","","","","","","","","","","","","","","","","","","","","2-chloro-3-(N-p-hexyloxyanilino)-naphthazarine","","CCCCCCOC1=CC=C(C=C1)NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","LRMCAURFTVKTSA-UHFFFAOYSA-N","378901",NA,"PDBC15822","662372","Present"
-"2-Chloro-3-(N-p-pentyloxyanilino)-naphthazarine","","","","","","","","","","","","","","","","","","","","2-chloro-3-(N-p-pentyloxyanilino)-naphthazarine","","CCCCCOC1=CC=C(C=C1)NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","JMCBIIQBHUMLEV-UHFFFAOYSA-N","378902",NA,"PDBC15823","662373","Present"
-"2-Chloro-3-(N-tyramino)naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(N-tyramino)naphthazarin","","C1=CC(=CC=C1CCNC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)O","DUXQWEMNZNEVPY-UHFFFAOYSA-N","378767",NA,"PDBC15824","661937","Present"
-"2-Chloro-3-(phenylsulfonyl)propanenitrile","","","","","","","","","","","","","","","","","","","","Propanenitrile, 2-chloro-3-(phenylsulfonyl)-","","C1=CC=C(C=C1)S(=O)(=O)CC(C#N)Cl","IWXBVRBZXCRQEB-UHFFFAOYSA-N","121458",NA,"PDBC15825","620129","Present"
-"2-Chloro-3-(pyridin-2-ylamino)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-3-(pyridin-2-ylamino)naphthalene-1,4-dione","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=CC=N3","KOFBPJOIBUBKJD-UHFFFAOYSA-N","237104",NA,"PDBC15826","40344","Present"
-"2-Chloro-3-N-(2'-(R)-hydroxymethylpyrrolidino)-naphthazarine","","","","","","","","","","","","","","","","","","","","2-chloro-3-N-(2'-(R)-hydroxymethylpyrrolidino)-naphthaza...","","C1CC(N(C1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)CO","DMBYJEAVLQOFFL-SSDOTTSWSA-N","379082",NA,"PDBC15827","663290","Present"
-"2-Chloro-3-N-(2'-(S)-hydroxymethylpyrrolidino)-naphthazarine","","","","","","","","","","","","","","","","","","","","2-chloro-3-N-(2'-(S)-hydroxymethylpyrrolidino)-naphthaza...","","C1CC(N(C1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)CO","DMBYJEAVLQOFFL-ZETCQYMHSA-N","379083",NA,"PDBC15828","663291","Present"
-"2-Chloro-3-N-(5-aminosalicylic acid)naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-N-(5-aminosalicylic acid)naphthazarin","","C1=CC(=C(C=C1NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)C(=O)O)O","MKYOABFPMOXHHX-UHFFFAOYSA-N","378906",NA,"PDBC15829","662377","Present"
-"2-Chloro-3-[(2E)-2-[(4E)-4-[(3-chloro-1,4-dioxonaphthalen-2-yl)hydrazinylidene]-2,3-dihydrophthalazin-1-ylidene]hydrazinyl]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-3-[(2E)-2-[(4E)-4-[(3-chloro-1,4-dioxonaphthalen-2-yl)hydrazinylidene]-2,3-dihydrophthalazin-1-ylidene]hydrazinyl]naphthalene-1,4-dione","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NN=C3C4=CC=CC=C4C(=NNC5=C(C(=O)C6=CC=CC=C6C5=O)Cl)NN3","CLYVTIMBEHOZSW-UHFFFAOYSA-N","135509607",NA,"PDBC15830","106445","Present"
-"2-Chloro-3-[1-(4-(2-pyrimidyl)piperazine)]-naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-[1-(4-(2-pyrimidyl)piperazine)]-naphthazarin","","C1CN(CCN1C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)C4=NC=CC=N4","XMTDCGSGUAIZAZ-UHFFFAOYSA-N","438704",NA,"PDBC15831","659647","Present"
-"2-Chloro-3-[1-(4-(4'-acetophenone)piperazino)]-naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-[1-(4-(4'-acetophenone)piperazino)]- naphthaz...","","CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C4=C(C(=O)C=CC4=O)C(=C3Cl)O)O","MDCOKMVQZVKCDW-UHFFFAOYSA-N","378361",NA,"PDBC15832","660635","Present"
-"2-Chloro-3-[2-(2-butoxyethoxy)ethoxy]-naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-[2-(2-butoxyethoxy)ethoxy]-naphthazarin","","CCCCOCCOCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl","GTCKHPLZKRTXDG-UHFFFAOYSA-N","135409154",NA,"PDBC15833","660632","Present"
-"2-Chloro-3-[2-(2-heptadecyl-4,5-dihydro-1h-imidazol-1-yl)ethoxy]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-3-[2-(2-heptadecyl-4,5-dihydro-1h-imidazol-1-yl)ethoxy]naphthalene-1,4-dione","","CCCCCCCCCCCCCCCCCC1=NCCN1CCOC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","FCCWDQTVKKSMNN-UHFFFAOYSA-N","237491",NA,"PDBC15834","41099","Present"
-"2-Chloro-3-[3-(propan-2-ylamino)propylamino]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-3-{[3-(propan-2-ylamino)propyl]amino}naphthalene-1,4-dione","","CC(C)NCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl","WOSOYAXCYXWQSQ-UHFFFAOYSA-N","236655",NA,"PDBC15835","39351","Present"
-"2-Chloro-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-5,8-dimethoxynaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-3-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}-5,8-dimethoxynaphthalene-1,4-dione","","COC1=C2C(=C(C=C1)OC)C(=O)C(=C(C2=O)N3CCN(CC3)CCOCCO)Cl","RAFVCDVLMOUGKS-UHFFFAOYSA-N","377430",NA,"PDBC15836","658873","Present"
-"2-Chloro-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Chloro-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride","","C1CN(CCN1CCOCCO)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl.Cl","OIXIJBDUQBAVJZ-UHFFFAOYSA-N","375898",NA,"PDBC15837","656210","Present"
-"2-Chloro-3-[p-(trifluoromethoxy)-anilino]-naphthazarine","","","","","","","","","","","","","","","","","","","","2-Chloro-3-[p-(trifluoromethoxy)-anilino]-naphthazarine","","C1=CC(=CC=C1NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)OC(F)(F)F","PLDGDPROWRTERV-UHFFFAOYSA-N","383053",NA,"PDBC15838","671097","Present"
-"2-Chloro-3-amino-5,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-Chloro-3-amino-5,8-dihydoxy-1,4-naphthoquinone","","C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)N)O","WHZXUVWXVVCMIW-UHFFFAOYSA-N","377211",NA,"PDBC15839","658443","Present"
-"2-Chloro-3-hydroxy-naphthazarin","","","","","","","","","","","","","","","","","","","","2-Chloro-3-hydroxy-naphthazarin","","C1=CC(=C2C(=C1O)C(=C(C(=O)C2=O)Cl)O)O","GLDJRWVGFBYLND-UHFFFAOYSA-N","135409157",NA,"PDBC15840","660639","Present"
-"2-Chloro-3-hydroxybenzo[b]naphtho[2,3-d]furan-6,11-dione","","","","","","","","","","","","","","","","","","","","Benzo[b]naphtho[2,3-d]furan-6,11-dione, 4-chloro-3-hydroxy","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=CC(=C(C=C43)Cl)O","MELMDXKYKAAXAZ-UHFFFAOYSA-N","371025",NA,"PDBC15841","644902","Present"
-"2-Chloro-3-methyl-8-phenyl-7-oxo-7,8-dihydro-5,9-dithia-6-aza-6H-benzocycloheptene 5,5-dioxide","","","","","","","","","","","","","","","","","","","","7-Chloro-8-methyl-4-phenyl-2h-1,5,2-benzodithiazepin-3(4h)-one 1,1-dioxide","","CC1=CC2=C(C=C1Cl)SC(C(=O)NS2(=O)=O)C3=CC=CC=C3","GLNLCEMMUGOFJC-UHFFFAOYSA-N","400679",NA,"PDBC15842","713034","Present"
-"2-Chloro-3-morpholino-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","STK864557","","C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","KRGINZFLXQKIQZ-UHFFFAOYSA-N","236652",NA,"PDBC15843","39347","Present"
-"2-Chloro-3-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylnaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-chloro-3-(phenanthro[9,10-e][1,2,4]triazin  3-ylthio)n...","","C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","LTXPJUHAUKZMOA-UHFFFAOYSA-N","332061",NA,"PDBC15844","327705","Present"
-"2-Chloro-3-phenoxy-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-CHLORO-3-PHENOXY-1,4-NAPHTHOQUINONE","","C1=CC=C(C=C1)OC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","QPTXRNYONDDBEL-UHFFFAOYSA-N","219799",NA,"PDBC15845","1507","Present"
-"2-Chloro-3-phenyl-5-(trichloromethyl)pyrazine","","","","","","","","","","","","","","","","","","","","2-Chloro-3-phenyl-5-(trichloromethyl)pyrazine","","C1=CC=C(C=C1)C2=NC(=CN=C2Cl)C(Cl)(Cl)Cl","XZXCEDQKRAVPCL-UHFFFAOYSA-N","402191",NA,"PDBC15846","716058","Present"
-"2-Chloro-4,6-bis((dimethylamino)methyl)phenol","","","","","","","","","","","","","","","","","","","","2-Chloro-4,6-bis((dimethylamino)methyl)phenol","","CN(C)CC1=CC(=C(C(=C1)Cl)O)CN(C)C","XITXAAZUAPOOOW-UHFFFAOYSA-N","236579",NA,"PDBC15847","39187","Present"
-"2-Chloro-4-(1H-indol-3-yl)-1-(2-methoxyphenyl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(1H-indol-3-yl)-1-(2-methoxyphenyl)-3-azetidinone","","COC1=CC=CC=C1N2C(C(=O)C2Cl)C3=CNC4=CC=CC=C43","XRJPTXAXTKITJS-UHFFFAOYSA-N","374776",NA,"PDBC15848","653021","Present"
-"2-Chloro-4-(1H-indol-3-yl)-1-(2-nitrophenyl)azetidin-3-one","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(1H-indol-3-yl)-1-(2-nitrophenyl)azetidin-3-one","","C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC=CC=C4[N+](=O)[O-])Cl","FOGCFESHGCMFAM-UHFFFAOYSA-N","374779",NA,"PDBC15849","653024","Present"
-"2-Chloro-4-(1H-indol-3-yl)-1-(3-methoxyphenyl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(1H-indol-3-yl)-1-(3-methoxyphenyl)-3-azetidinone","","COC1=CC=CC(=C1)N2C(C(=O)C2Cl)C3=CNC4=CC=CC=C43","CDBNCKGMNLGJJQ-UHFFFAOYSA-N","374777",NA,"PDBC15850","653022","Present"
-"2-Chloro-4-(1H-indol-3-yl)-1-(3-nitrophenyl)azetidin-3-one","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(1H-indol-3-yl)-1-(3-nitrophenyl)azetidin-3-one","","C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC(=CC=C4)[N+](=O)[O-])Cl","PCQRBGZKNNBCAY-UHFFFAOYSA-N","374780",NA,"PDBC15851","653025","Present"
-"2-Chloro-4-(1H-indol-3-yl)-1-(4-methoxyphenyl)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(1H-indol-3-yl)-1-(4-methoxyphenyl)-3-azetidinone","","COC1=CC=C(C=C1)N2C(C(=O)C2Cl)C3=CNC4=CC=CC=C43","LJUXUWDXIRPKNI-UHFFFAOYSA-N","374778",NA,"PDBC15852","653023","Present"
-"2-Chloro-4-(1H-indol-3-yl)-1-(4-nitrophenyl)azetidin-3-one","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(1H-indol-3-yl)-1-(4-nitrophenyl)azetidin-3-one","","C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC=C(C=C4)[N+](=O)[O-])Cl","PYJHBQWXRZSGTI-UHFFFAOYSA-N","374781",NA,"PDBC15853","653026","Present"
-"2-Chloro-4-(1H-indol-3-yl)-1-phenyl-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(1H-indol-3-yl)-1-phenyl-3-azetidinone","","C1=CC=C(C=C1)N2C(C(=O)C2Cl)C3=CNC4=CC=CC=C43","VXADAIHYNVMDPU-UHFFFAOYSA-N","374772",NA,"PDBC15854","653017","Present"
-"2-Chloro-4-(2-furyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(2-furyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=CO3","PRHJRFDYVPGIPI-UHFFFAOYSA-N","135409009",NA,"PDBC15855","653014","Present"
-"2-Chloro-4-(2-pyridinylmethyl)benzonitrile","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(2-pyridinylmethyl)benzonitrile","","C1=CC=NC(=C1)CC2=CC(=C(C=C2)C#N)Cl","MEVAIDYHWNVZCB-UHFFFAOYSA-N","366236",NA,"PDBC15856","634572","Present"
-"2-Chloro-4-(3,4-dimethoxyphenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(3,4-dimethoxyphenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=C(C=C3)OC)OC","RGBJJLZMTVPYKT-UHFFFAOYSA-N","135409008",NA,"PDBC15857","653013","Present"
-"2-Chloro-4-(3-chlorophenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(3-chlorophenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=CC=C3)Cl","WELQOSZRBQEHGS-UHFFFAOYSA-N","135409007",NA,"PDBC15858","653012","Present"
-"2-Chloro-4-(4-chlorophenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone","","","","","","","","","","","","","","","","","","","","3-Azetidinone, 2-chloro-1-[(6-hydroxy-4-methyl- 2-pyrimi...","","CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=C(C=C3)Cl","UKZGBTCOHPEUIE-UHFFFAOYSA-N","135409006",NA,"PDBC15859","653011","Present"
-"2-Chloro-4-(4-nitrophenyl)-3,5]imidazo[1,2-a]pyrimidine-3-carboxaldehyde","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(4-nitrophenyl)-3,4-dihydro-benzo[4,5]imidazo...","","C1=CC=C2C(=C1)N=C3N2C(C(C(=N3)Cl)C=O)C4=CC=C(C=C4)[N+](=O)[O-]","IIHHDYRUNUHMBF-UHFFFAOYSA-N","405436",NA,"PDBC15860","722743","Present"
-"2-Chloro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline","","C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)Cl)N","HBAAHNZQWSCZBY-UHFFFAOYSA-N","399250",NA,"PDBC15861","709927","Present"
-"2-Chloro-4-(6-fluoro-1,3-benzothiazol-2-yl)aniline","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(6-fluoro-1,3-benzothiazol-2-yl)aniline","","C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)F)Cl)N","DUUPIQIOPHJTOM-UHFFFAOYSA-N","396351",NA,"PDBC15862","702155","Present"
-"2-Chloro-4-(dipropylamino)benzaldehyde","","","","","","","","","","","","","","","","","","","","NSC757910","","CCCN(CCC)C1=CC(=C(C=C1)C=O)Cl","LERZQALBZSGDTH-UHFFFAOYSA-N","108292902",NA,"PDBC15863","757910","Present"
-"2-Chloro-4-(methylthio)-5-((2-oxo-2,3-dihydro-1H-imidazol-1-yl)sulfonyl)-N-phenylbenzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-4-(methylthio)-5-((2-oxo-2,3-dihydro-1H-imidazol-1-yl)sulfonyl)-N-phenylbenzamide","","CSC1=C(C=C(C(=C1)Cl)C(=O)NC2=CC=CC=C2)S(=O)(=O)N3C=CNC3=O","KFZUZNQKWCGRSL-UHFFFAOYSA-N","387413",NA,"PDBC15864","681161","Present"
-"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C","MLGKZNKZCKWMGK-UHFFFAOYSA-N","279748",NA,"PDBC15865","131020","Present"
-"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CNC(=O)NC3=CC(=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C","CASQZRYYMJAFEO-UHFFFAOYSA-N","276179",NA,"PDBC15866","123465","Present"
-"2-Chloro-4-[[5-chloro-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-4-[(4-methylphenyl)carbamoyl]phenyl]disulfanyl]-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-N-(4-methylphenyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[5-chloro-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-4-[(4-methylphenyl)carbamoyl]phenyl]disulfanyl]-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-N-(4-methylphenyl)benzamide","","CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=C(C=C4)C)S(=O)(=O)NC5=NC6=C(N5)C=CC=N6)S(=O)(=O)NC7=NC8=C(N7)C=CC=N8","AIQNPBYJKYSKMY-UHFFFAOYSA-N","397062",NA,"PDBC15867","704344","Present"
-"2-Chloro-4-[[5-chloro-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]-N-phenylbenzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[5-chloro-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]-N-phenylbenzamide","","C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=CC=C4)S(=O)(=O)NC5=NNC(=O)N5)S(=O)(=O)NC6=NNC(=O)N6","MUQOFKVTKTXBAL-UHFFFAOYSA-N","135489819",NA,"PDBC15868","681171","Present"
-"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)phenyl]disulfanyl]-N-(4-chlorophenyl)-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)phenyl]disulfanyl]-N-(4-chlorophenyl)-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)benzamide","","C1=CC2=C(N=C1)N=C(N2)NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl)SSC5=C(C=C(C(=C5)Cl)C(=O)NC6=CC=C(C=C6)Cl)S(=O)(=O)NC7=NC8=C(N7)C=CC=N8","AQKVAUVEIYEQLE-UHFFFAOYSA-N","397061",NA,"PDBC15869","704343","Present"
-"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamid","","C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=C(C=C4)Cl)S(=O)(=O)NC5=NNC(=O)N5)S(=O)(=O)NC6=NNC(=O)N6)Cl","XYSNHNCTFFXVAU-UHFFFAOYSA-N","135406742",NA,"PDBC15870","681172","Present"
-"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-y","","C1=CC=C2C=C(C=CC2=C1)NC3=NC(=NN3)NS(=O)(=O)C4=C(C=C(C(=C4)C(=O)NC5=CC=C(C=C5)Cl)Cl)SSC6=C(C=C(C(=C6)Cl)C(=O)NC7=CC=C(C=C7)Cl)S(=O)(=O)NC8=NNC(=N8)NC9=CC1=CC=CC=C1C=C9","ZOUSHUMEZOABDB-UHFFFAOYSA-N","16129908",NA,"PDBC15871","674019","Present"
-"2-Chloro-4-[[5-chloro-4-[(4-methylphenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-methylphenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[5-chloro-4-[(4-methylphenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-methylphenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamid","","CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=C(C=C4)C)S(=O)(=O)NC5=NNC(=O)N5)S(=O)(=O)NC6=NNC(=O)N6","FRDWEFAPQBAWTA-UHFFFAOYSA-N","135489820",NA,"PDBC15872","681173","Present"
-"2-Chloro-4-mercapto-5-(((6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)amino)sulfonyl)-N-phenylbenzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-5-[(6-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-N-phenyl-4-sulfanylbenzamide","","CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)S","SDBSNALROIGUQP-UHFFFAOYSA-N","397048",NA,"PDBC15873","704330","Present"
-"2-Chloro-4-mercapto-5-((2-oxo-1-imidazolidinyl)sulfonyl)-N-phenylbenzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-4-mercapto-5-((2-oxo-1-imidazolidinyl)sulfonyl)-N-phenylbenzamide","","C1CN(C(=O)N1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)S","FDLBONAJAJGTIG-UHFFFAOYSA-N","387421",NA,"PDBC15874","681170","Present"
-"2-Chloro-4-mercapto-5-((2-oxo-2,3-dihydro-1H-imidazol-1-yl)sulfonyl)-N-phenylbenzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-4-mercapto-5-((2-oxo-2,3-dihydro-1H-imidazol-1-yl)sulfonyl)-N-phenylbenzamide","","C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3C=CNC3=O","FLKZRDDLBOWKIK-UHFFFAOYSA-N","387405",NA,"PDBC15875","681155","Present"
-"2-Chloro-4-mercapto-5-(N-(5-oxo-4-phenyl-4,2,4-triazol-3-yl)sulfamoyl)-N-phenylbenzamide","","","","","","","","","","","","","","","","","","","","2-chloro-4-mercapto-5-(N-(5-oxo-4-phenyl-4,5-dihydro-1H-...","","C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)NC3=NNC(=O)N3C4=CC=CC=C4","NLDHJLZAINITBF-UHFFFAOYSA-N","393931",NA,"PDBC15876","696903","Present"
-"2-Chloro-4-mercapto-5-[({3-[(4-methylphenyl)amino]-1H-1,2,4-triazol-5-yl}amino)sulfonyl]phenyl acetate","","","","","","","","","","","","","","","","","","","","2-Chloro-5-({5-[(4-methylphenyl)amino]-1h-1,2,4-triazol-3-yl}sulfamoyl)-4-sulfanylphenyl acetate","","CC1=CC=C(C=C1)NC2=NC(=NN2)NS(=O)(=O)C3=C(C=C(C(=C3)OC(=O)C)Cl)S","QDGCHIVLMLBEDK-UHFFFAOYSA-N","380935",NA,"PDBC15877","666721","Present"
-"2-Chloro-4-mercapto-N-(4-methylphenyl)-5-(((5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)amino)sulfonyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(4-methylphenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide","","CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)NC3=NNC(=O)N3C4=CC=CC=C4","GNCMCPFARICNLV-UHFFFAOYSA-N","393932",NA,"PDBC15878","696904","Present"
-"2-Chloro-4-phenyl-3,5]imidazo[1,2-a]pyrimidin-3-car boxaldehyde","","","","","","","","","","","","","","","","","","","","2-Chloro-4-phenyl-3,4-benz[4,5]imidazo[1,2-a]pyrimidin-3...","","C1=CC=C(C=C1)C2C(C(=NC3=NC4=CC=CC=C4N23)Cl)C=O","FXYISUXJBAKDBA-UHFFFAOYSA-N","405424",NA,"PDBC15879","722731","Present"
-"2-Chloro-5,6-dimethoxy-3-octylsulfanylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2,5-Cyclohexadiene-1,4-dione, 2-chloro-5,6-dimethoxy-3-(...","","CCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl","QVLRYWZYUQDULC-UHFFFAOYSA-N","318118",NA,"PDBC15880","252188","Present"
-"2-Chloro-5,7-dimethyl[1,8]naphthyridin-3-amine","","","","","","","","","","","","","","","","","","","","2-Chloro-5,7-dimethyl[1,8]naphthyridin-3-amine","","CC1=CC(=NC2=NC(=C(C=C12)N)Cl)C","YJMNVBGDJPYKLK-UHFFFAOYSA-N","387105",NA,"PDBC15881","680496","Present"
-"2-Chloro-5,8-dihydroxy-3-(4-nitrophenoxy)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-5,8-dihydroxy-3-(4-nitrophenoxy)naphthalene-1,4-dione","","C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C(=O)C3=C(C=CC(=C3C2=O)O)O)Cl","KZBALAGUHIMFIP-UHFFFAOYSA-N","135409136",NA,"PDBC15882","658872","Present"
-"2-Chloro-5,8-dihydroxy-3-[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","6-Chloro-5,8-dihydroxy-7-[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione","","COCCOCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl","AQYHWKDZKIMLCP-UHFFFAOYSA-N","135409148",NA,"PDBC15883","659998","Present"
-"2-Chloro-5-(diethylamino)-7-isopropyl-8,8-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-ol","","","","","","","","","","","","","","","","","","","","2-Chloro-5-(diethylamino)-7-isopropyl-8,8-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-ol","","CCN(CC)C1=C2C(=C(C=C1)Cl)C(C2(C(C)C)O)(C)C","DEDQQTKWKPNEQX-UHFFFAOYSA-N","375520",NA,"PDBC15884","655299","Present"
-"2-Chloro-5-(methylsulfonyl)imidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-4-amine","","","","","","","","","","","","","","","","","","","","2-Chloro-5-(methylsulfonyl)imidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-4-amine","","CS(=O)(=O)C1=C(C2=NC(=CN2C3=NC4=CC=CC=C4N=C13)Cl)N","KUZVOCBEJPWYCB-UHFFFAOYSA-N","372779",NA,"PDBC15885","648403","Present"
-"2-Chloro-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-N-phenyl-4-sulfanylbenzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-N-phenyl-4-sulfanylbenzamide","","C1CN(C(=O)NN1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)S","WKGXCHCQCUECAQ-UHFFFAOYSA-N","393928",NA,"PDBC15886","696900","Present"
-"2-Chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Benzenesulfonyl fluoride, 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl]-, monoethanesulfonate (9CI)","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C","LOHXMZMTXDOGRC-UHFFFAOYSA-N","278692",NA,"PDBC15887","128571","Present"
-"2-Chloro-5-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 2-chloro-5-[4-[m-(4,6-d...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)N)N)C","FSPCDJMMRJMTRK-UHFFFAOYSA-N","279319",NA,"PDBC15888","129794","Present"
-"2-Chloro-5-hydroxy-3-(4-nitrophenyl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-5-hydroxy-3-(4-nitrophenyl)naphthalene-1,4-dione","","C1=CC2=C(C(=C1)O)C(=O)C(=C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-]","XKJOEJRULSVHRA-UHFFFAOYSA-N","375828",NA,"PDBC15889","656076","Present"
-"2-Chloro-5-methyl-8-phenylphenazin-5-ium;methyl sulfate","","","","","","","","","","","","","","","","","","","","2-Chloro-5-methyl-8-phenylphenazin-5-ium;methyl sulfate","","C[N+]1=C2C=CC(=CC2=NC3=C1C=CC(=C3)C4=CC=CC=C4)Cl.COS(=O)(=O)[O-]","BAXZCEWTXBTBBK-UHFFFAOYSA-M","24184082",NA,"PDBC15890","32924","Present"
-"2-Chloro-5-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-5-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide","","C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","MHYATUJYHPTEHY-UHFFFAOYSA-N","395237",NA,"PDBC15891","699712","Present"
-"2-Chloro-5H-pyrido[2',3]imidazo[4,5-b]indole hydrochloride","","","","","","","","","","","","","","","","","","","","2-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole hydroc...","","C1=CC2=NC3=C(N2C=C1)NC4=C3C=CC(=C4)Cl.Cl","YPQLKUPMSLRIBI-UHFFFAOYSA-N","370273",NA,"PDBC15892","643051","Present"
-"2-Chloro-6,7,8-trioxabicyclo[3.2.1]octane","","","","","","","","","","","","","","","","","","","","2-Chloro-6,7,8-trioxabicyclo[3.2.1]octane","","C1CC2OC(C1Cl)OO2","LJWKDPIGKXRIIL-UHFFFAOYSA-N","360980",NA,"PDBC15893","623711","Present"
-"2-Chloro-6-((2-chloro-4-methyl-6-quinolinyl)methyl)-4-methylquinoline","","","","","","","","","","","","","","","","","","","","2-Chloro-6-((2-chloro-4-methyl-6-quinolinyl)methyl)-4-methylquinoline","","CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)Cl)Cl","RVHRUJSUMLKIHE-UHFFFAOYSA-N","268954",NA,"PDBC15894","109451","Present"
-"2-Chloro-6-(4-chloro-phenyl)-[1,4]benzoquinone","","","","","","","","","","","","","","","","","","","","2-CHLORO-6-(4-CHLOROPHENYL)-2,5-CYCLOHEXADIENE-1,4-DIONE","","C1=CC(=CC=C1C2=CC(=O)C=C(C2=O)Cl)Cl","MNGDMRAWWJWYRE-UHFFFAOYSA-N","317884",NA,"PDBC15895","251757","Present"
-"2-Chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate","","","","","","","","","","","","","","","","","","","","2-Chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate","","CN(C)C(=O)OC1=C(SC2=C(C=C(C=C2)Cl)N3C1=CC=C3)C4=CC=C(C=C4)OC","SUNNFQKSCNVWJN-UHFFFAOYSA-N","378549",NA,"PDBC15896","661184","Present"
-"2-Chloro-6-methoxy-4-methyl-7-propyl-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","5,8-Quinolinedione, 2-chloro-6-methoxy-4-methyl-7-propyl-","","CCCC1=C(C(=O)C2=C(C1=O)N=C(C=C2C)Cl)OC","DIIFPMMVAZCIQO-UHFFFAOYSA-N","389064",NA,"PDBC15897","684703","Present"
-"2-Chloro-6-methoxyquinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","2-Chloro-6-methoxyquinoline-5,8-dione","","COC1=CC(=O)C2=C(C1=O)C=CC(=N2)Cl","FJEPCSBUTWZVLD-UHFFFAOYSA-N","341543",NA,"PDBC15898","373911","Present"
-"2-Chloro-6-phenyl-7-propionyloxypyrrolo[2,1-d][1,5]benzothiazepine","","","","","","","","","","","","","","","","","","","","2-Chloro-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl propanoate","","CCC(=O)OC1=C(SC2=C(C=C(C=C2)Cl)N3C1=CC=C3)C4=CC=CC=C4","HPYGBCKXJJJWJD-UHFFFAOYSA-N","378547",NA,"PDBC15899","661182","Present"
-"2-Chloro-6h-benzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","2-Chloro-6h-benzo[c]chromen-6-one","","C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)OC2=O","GJAVHARCAVPCTI-UHFFFAOYSA-N","263573",NA,"PDBC15900","98099","Present"
-"2-Chloro-7-(5-piperidin-1-ylpentoxy)xanthen-9-one","","","","","","","","","","","","","","","","","","","","NSC799214","","C1CCN(CC1)CCCCCOC2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)Cl","AQIRLJIMBMOXCB-UHFFFAOYSA-N","155817149",NA,"PDBC15901","799214","Present"
-"2-Chloro-8,9-dimethoxy-4H-benzo[ij][2,7]naphthyridine-4,5(6H)-dione","","","","","","","","","","","","","","","","","","","","7-Chloro-10,11-dimethoxy-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4-dione","","COC1=C(C2=C3C(=CC(=N2)Cl)C(=O)C(=O)NC3=C1)OC","VNFCKJRPRZYROZ-UHFFFAOYSA-N","397794",NA,"PDBC15902","706232","Present"
-"2-Chloro-8-hydroxy-6-methoxynaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","AS-67246","","COC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)Cl","CEQWFJADWPVYTH-UHFFFAOYSA-N","363042",NA,"PDBC15903","627586","Present"
-"2-Chloro-9,10-diphenyl-9,10-dihydroacridin-9-ol","","","","","","","","","","","","","","","","","","","","2-Chloro-9,10-diphenyl-acridin-9-ol","","C1=CC=C(C=C1)C2(C3=CC=CC=C3N(C4=C2C=C(C=C4)Cl)C5=CC=CC=C5)O","OSBOCAQJGKHPPR-UHFFFAOYSA-N","232879",NA,"PDBC15904","30846","Present"
-"2-Chloro-9-(3,3-dimethyl-9-methylsulfonyloxy-2,4,7-trioxabicyclo[4.3.0]non-8-yl)purin-6-amine","","","","","","","","","","","","","","","","","","","","2-Chloro-9-(3,3-dimethyl-9-methylsulfonyloxy-2,4,7-trioxabicyclo[4.3.0]non-8-yl)purin-6-amine","","CC1(OCC2C(O1)C(C(O2)N3C=NC4=C(N=C(N=C43)Cl)N)OS(=O)(=O)C)C","QRELBCVFRNDZJZ-UHFFFAOYSA-N","260013",NA,"PDBC15905","90841","Present"
-"2-Chloro-N'-(2-hydroxybenzoyl)benzohydrazide","","","","","","","","","","","","","","","","","","","","2-Chloro-N'-(2-hydroxybenzoyl)benzohydrazide","","C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2Cl)O","VUZIQAHFWOSLGQ-UHFFFAOYSA-N","393338",NA,"PDBC15906","695046","Present"
-"2-Chloro-N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","2-Chloro-N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide","","C1C(=NC2=C(S1)C=C(C=C2)Cl)NNC(=O)CCl","WUZDANVJQDAKKX-UHFFFAOYSA-N","358193",NA,"PDBC15907","618070","Present"
-"2-Chloro-N,N-dimethyl-2,2-diphenylethanethioamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N,N-dimethyl-2,2-diphenylethanethioamide","","CN(C)C(=S)C(C1=CC=CC=C1)(C2=CC=CC=C2)Cl","UCRJMTXNWOEOIQ-UHFFFAOYSA-N","399236",NA,"PDBC15908","709909","Present"
-"2-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline","","","","","","","","","","","","","","","","","","","","2-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline","","CC1=CC2=C(C=C1)N=C(C=C2C)C=NC3=CC=CC=C3Cl","DSOWDBQHGYLTHY-UHFFFAOYSA-N","381037",NA,"PDBC15909","667058","Present"
-"2-Chloro-N-(1,1,3,3,5-pentamethyl-6-(1-pyrrolidinyl)-2,3-dihydro-1H-inden-4-yl)benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(1,1,3,3,5-pentamethyl-6-(pyrrolidin-1-yl)-2,...","","CC1=C(C=C2C(=C1NC(=O)C3=CC=CC=C3Cl)C(CC2(C)C)(C)C)N4CCCC4","MEFFWHUBVHSLML-UHFFFAOYSA-N","331161",NA,"PDBC15910","321496","Present"
-"2-Chloro-N-(2,4,5-trichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","wln: g1vmr bg dg eg","","C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCl","GQRWKOPRUXSOBA-UHFFFAOYSA-N","32018",NA,"PDBC15911","165604","Present"
-"2-Chloro-N-(2,5-dimethoxyphenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]acetamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(2,5-dimethoxyphenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]acetamide","","COC1=CC(=C(C=C1)OC)N(CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)CCl","CYEOPLVNUGTVGD-UHFFFAOYSA-N","310867",NA,"PDBC15912","215999","Present"
-"2-Chloro-N-(2-chloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-chloro-~{N}-(2-chloroacetyl)-~{N}-[2,6-dimethoxy-3-(4-...","","CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)N(C(=O)CCl)C(=O)CCl)OC","LMRRZVWNVPZYNG-UHFFFAOYSA-N","155810268",NA,"PDBC15913","797558","Present"
-"2-Chloro-N-(2-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(2-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide","","C1=CC=C(C=C1)N2C(=O)NN=C2NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=CC=C4Cl)Cl)S","WHIROKCOUIHCJZ-UHFFFAOYSA-N","393940",NA,"PDBC15914","696912","Present"
-"2-Chloro-N-(2-ethyl-6-isopropylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(2-ethyl-6-isopropylphenyl)acetamide","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)CCl","OGNVZTLKMXSTPU-UHFFFAOYSA-N","358527",NA,"PDBC15915","618535","Present"
-"2-Chloro-N-(2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)benzamide","","C1=CC=C(C(=C1)C(=O)NC2C=NC3=CC=CC=C3NC2=O)Cl","QKWBGQFWIALDAT-UHFFFAOYSA-N","367357",NA,"PDBC15916","636996","Present"
-"2-Chloro-N-(3-methylbut-2-enyl)-7H-purin-6-amine","","","","","","","","","","","","","","","","","","","","1H-Purin-2-chloro-6-amine, N-(3-methyl-2-butenyl)-","","CC(=CCNC1=NC(=NC2=C1NC=N2)Cl)C","NZWPXCCNOTZIPE-UHFFFAOYSA-N","495896",NA,"PDBC15917","672179","Present"
-"2-Chloro-N-(3-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","Acetamide, 2-chloro-N-(3-methylphenyl)-","","CC1=CC(=CC=C1)NC(=O)CCl","GYMACIQGUHXSLT-UHFFFAOYSA-N","296325",NA,"PDBC15918","166401","Present"
-"2-Chloro-N-(3-{3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanoyl)-N-(4-methylphenyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-[3-[3-methyl-4-[(4-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanoyl]-N-(4-methylphenyl)benzamide","","CC1=CC=C(C=C1)N(C(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4Cl","LEPKGGMLGOFPKJ-UHFFFAOYSA-N","370457",NA,"PDBC15919","643588","Present"
-"2-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)acetamide","","CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)NC(=O)CCl","RIMSJNVASQUWBB-UHFFFAOYSA-N","356997",NA,"PDBC15920","614566","Present"
-"2-Chloro-N-(4-chlorophenyl)-4-mercapto-5-(((6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)amino)sulfonyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(4-chlorophenyl)-5-[(6-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-4-sulfanylbenzamide","","CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=C(C=C3)Cl)Cl)S","IVNJTJFXTZTKIP-UHFFFAOYSA-N","397049",NA,"PDBC15921","704331","Present"
-"2-Chloro-N-(4-chlorophenyl)-4-mercapto-5-[({3-[(4-methylphenyl)amino]-1H-1,2,4-triazol-5-yl}amino)sulfonyl]benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(4-chlorophenyl)-5-[[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]sulfamoyl]-4-sulfanylbenzamide","","CC1=CC=C(C=C1)NC2=NC(=NN2)NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl)S","MXBJFJXHKMYROY-UHFFFAOYSA-N","380936",NA,"PDBC15922","666722","Present"
-"2-Chloro-N-(4-chlorophenyl)-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-4-sulfanylbenzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(4-chlorophenyl)-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-4-sulfanylbenzamide","","C1CN(C(=O)NN1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=C(C=C3)Cl)Cl)S","RZLDESQWIMJIPR-UHFFFAOYSA-N","393929",NA,"PDBC15923","696901","Present"
-"2-Chloro-N-(4-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(4-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide","","C1=CC=C(C=C1)N2C(=O)NN=C2NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl)S","QOGBPNQGHFLSLT-UHFFFAOYSA-N","393939",NA,"PDBC15924","696911","Present"
-"2-Chloro-N-(4-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","GNF-Pf-1811","","C1=CC(=CC=C1NC(=O)CCl)Cl","UDRCRMHFHHTVSN-UHFFFAOYSA-N","94920",NA,"PDBC15925","8369","Present"
-"2-Chloro-N-(4-fluorophenyl)-4-mercapto-5-(((6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)amino)sulfonyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(4-fluorophenyl)-5-[(6-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-4-sulfanylbenzamide","","CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=C(C=C3)F)Cl)S","HJMFINQPYYWNJT-UHFFFAOYSA-N","397050",NA,"PDBC15926","704332","Present"
-"2-Chloro-N-(4-methoxyphenyl)-N,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","2-chloro-N-(4-methoxyphenyl)-N,5-dimethyl-5H-pyrrolo[3,2...","","CN1C=CC2=C1C(=NC(=N2)Cl)N(C)C3=CC=C(C=C3)OC","DHGLPKCITJOLFP-UHFFFAOYSA-N","155815283",NA,"PDBC15927","791202","Present"
-"2-Chloro-N-(4-methylphenyl)-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-4-sulfanylbenzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(4-methylphenyl)-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-4-sulfanylbenzamide","","CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3CCNNC3=O","DTZXBZOABFSEIO-UHFFFAOYSA-N","393930",NA,"PDBC15928","696902","Present"
-"2-Chloro-N-[1-[[2-[(2-chloroacetyl)-ethylamino]-1-(4-chlorophenyl)-2-methylpropyl]trisulfanyl]-1-(4-chlorophenyl)-2-methylpropan-2-yl]-N-ethylacetamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-[1-[[2-[(2-chloroacetyl)-ethylamino]-1-(4-chlorophenyl)-2-methylpropyl]trisulfanyl]-1-(4-chlorophenyl)-2-methylpropan-2-yl]-N-ethylacetamide","","CCN(C(=O)CCl)C(C)(C)C(C1=CC=C(C=C1)Cl)SSSC(C2=CC=C(C=C2)Cl)C(C)(C)N(CC)C(=O)CCl","QGDABJBXNCGARB-UHFFFAOYSA-N","293606",NA,"PDBC15929","160439","Present"
-"2-Chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC(=CC2=CC3=CC=CC=C3N=C21)Cl.Cl","IAUQCASCHRFJCQ-UHFFFAOYSA-N","358134",NA,"PDBC15930","617966","Present"
-"2-Chloro-N-[3-(ethylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-[3-(ethylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)CCl","PKLXRCPMZJIPRB-UHFFFAOYSA-N","377411",NA,"PDBC15931","658854","Present"
-"2-Chloro-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine","","","","","","","","","","","","","","","","","","","","2-Chloro-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine","","CC(=NOC)C1=CC(=CC=C1)NC2=NC3=C(C=C(C=C3)Cl)C4=C2C5=CC=CC=C5N4","LLULKNXSQAOVJG-NUJZUDFISA-N","9572587",NA,"PDBC15932","721043","Present"
-"2-Chloro-N-[4-(methylthio)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","Acetamide, 2-chloro-N-[4-(methylthio)phenyl]-","","CSC1=CC=C(C=C1)NC(=O)CCl","NHFSKNQUFJHKKE-UHFFFAOYSA-N","296365",NA,"PDBC15933","166464","Present"
-"2-Chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-(5-(2-(4-chloro-2-methylanilino)-2-oxoethyl)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzamide","","CC1=C(C=CC(=C1)Cl)NC(=O)CC2C(=O)NC(=NC(=O)C3=CC=CC=C3Cl)S2","PMYLZPSZWBJYKF-UHFFFAOYSA-N","135466829",NA,"PDBC15934","634416","Present"
-"2-Chloro-N-[6-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","2-Chloro-N-[6-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-2-yl]acetamide","","C1=CC2=C(C=C1NC(=O)CCl)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCl","UOWJONPWYDMJFO-UHFFFAOYSA-N","355988",NA,"PDBC15935","610965","Present"
-"2-Chloro-N-[[4-[[(2-chloroacetyl)amino]methyl]-5-methoxy-2-methyl-1H-indol-6-yl]methyl]acetamide","","","","","","","","","","","","","","","","","","","","Acetamide, N,N'-[(5-methoxy-2-methyl-1H-indole-4,6-diyl)...","","CC1=CC2=C(N1)C=C(C(=C2CNC(=O)CCl)OC)CNC(=O)CCl","QVTSJELDLWBNSP-UHFFFAOYSA-N","323387",NA,"PDBC15936","283168","Present"
-"2-Chloro-N-phenethyl-9-phenyl-9H-purin-6-amine, hydrochloride","","","","","","","","","","","","","","","","","","","","2-chloro-N-phenethyl-9-phenyl-9H-purin-6-amine, hydrochl...","","C1=CC=C(C=C1)CCNC2=C3C(=NC(=N2)Cl)N(C=N3)C4=CC=CC=C4.Cl","HCNSAEITINKERO-UHFFFAOYSA-N","24182669",NA,"PDBC15937","19147","Present"
-"2-Chloroacetate;cobalt(3+);ethane-1,2-diamine;perchlorate","","","","","","","","","","","","","","","","","","","","trans-Bis(chloroacetato)bis(ethylendiamine)cobalt(III) p...","","C(CN)N.C(CN)N.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.[O-]Cl(=O)(=O)=O.[Co+3]","JKWKOZHZVLHIFS-UHFFFAOYSA-K","24202138",NA,"PDBC15938","630627","Present"
-"2-Chlorobenzaldehyde (4-hydroxy-5-(2-hydroxyethyl)-6-methyl-2-pyrimidinyl)hydrazone","","","","","","","","","","","","","","","","","","","","2-Chlorobenzaldehyde (4-hydroxy-5-(2-hydroxyethyl)-6-methyl-2-pyrimidinyl)hydrazone","","CC1=C(C(=O)NC(=N1)NN=CC2=CC=CC=C2Cl)CCO","IHEPRAUXXBYCPG-LZYBPNLTSA-N","135499454",NA,"PDBC15939","660338","Present"
-"2-Chlorobenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine","","","","","","","","","","","","","","","","","","","","2-Chlorobenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine","","C1=CC=C2C(=C1)N=C3N2C(=NC4=C(S3)C=CC(=C4)Cl)N","IXOLATYNIPAZRO-UHFFFAOYSA-N","383195",NA,"PDBC15940","671314","Present"
-"2-Chlorobenzo[b]acridine-6,11-dione","","","","","","","","","","","","","","","","","","","","2-Chlorobenzo[b]acridine-6,11-dione","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C4C=CC(=CC4=C3)Cl","ORUMBAHZOHDEJN-UHFFFAOYSA-N","370223",NA,"PDBC15941","642967","Present"
-"2-Chloroethyl 2,7-dimethoxy-9-acridinyl sulfoxide","","","","","","","","","","","","","","","","","","","","9-(2-Chloroethylsulfinyl)-2,7-dimethoxy-acridine","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CCCl)OC","TVXICGOWQNPSDL-UHFFFAOYSA-N","395390",NA,"PDBC15942","699926","Present"
-"2-Chloroethyl 5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolane-2-carboxylate","","","","","","","","","","","","","","","","","","","","2-Chloroethyl 5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin...","","C1C(C(OC1N2C=C(C(=O)NC2=O)F)C(=O)OCCCl)O","OPZOUDUNAZXSTL-UHFFFAOYSA-N","273749",NA,"PDBC15943","119173","Present"
-"2-Chloroethyl carbamate;ethyl N-(4-iodosulfonylphenyl)carbamate;magnesium;1-methyl-3-oxourea","","","","","","","","","","","","","","","","","","","","2-Chloroethyl carbamate;ethyl N-(4-iodosulfonylphenyl)carbamate;magnesium;1-methyl-3-oxourea","","","","",NA,"PDBC15944","627640","Present"
-"2-Chloroindolo[2,1-b]quinazoline-6,12-dione","","","","","","","","","","","","","","","","","","","","2-Chloroindolo[2,1-b]quinazoline-6,12-dione","","C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=C(C=C4)Cl)C(=O)N23","GGZWZZOEBSZAML-UHFFFAOYSA-N","396725",NA,"PDBC15945","703334","Present"
-"2-Chloromethyl-3-(2'-tolyl)-6-bromo-4-quinazolone","","","","","","","","","","","","","","","","","","","","6-Bromo-2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one","","CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)Br)CCl","CNSVUXFMSQHKRI-UHFFFAOYSA-N","369093",NA,"PDBC15946","640650","Present"
-"2-Chloromethylbenzimidazole","","","","","","","","","","","","","","","","","","","","pdc 6886","","C1=CC=C2C(=C1)NC(=N2)CCl","SPMLMLQATWNZEE-UHFFFAOYSA-N","78571",NA,"PDBC15947","15436","Present"
-"2-Chloronicotinonitrile","","","","","","","","","","","","","","","","","","","","KSC352Q4B","","C1=CC(=C(N=C1)Cl)C#N","JAUPUQRPBNDMDT-UHFFFAOYSA-N","81079",NA,"PDBC15948","73287","Present"
-"2-Chlorophenylhydrazine hydrochloride","","","","","","","","","","","","","","","","","","","","(o-Chlorophenyl)hydrazizne hydrochloride","","C1=CC=C(C(=C1)NN)Cl.Cl","ADODRSVGNHNKAT-UHFFFAOYSA-N","443287",NA,"PDBC15949","100723","Present"
-"2-Chloroprop-2-enyl N-(3-chlorophenyl)carbamate","","","","","","","","","","","","","","","","","","","","Carbanilic acid, m-chloro-, 2-chloroallyl ester","","C=C(COC(=O)NC1=CC(=CC=C1)Cl)Cl","CWONZFWBEOJJET-UHFFFAOYSA-N","348953",NA,"PDBC15950","408478","Present"
-"2-Cinnamoyl-8-(hydroxy(oxido)amino)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline","","","","","","","","","","","","","","","","","","","","2-Cinnamoyl-8-(hydroxy(oxido)amino)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline","","CC1C2=C(CCN1C(=O)C=CC3=CC=CC=C3)C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]","KAALNPSYWZITQC-DHZHZOJOSA-N","5914033",NA,"PDBC15951","628650","Present"
-"2-Cuban-1-yl-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-Cuban-1-yl-1H-imidazole","","C1=CN=C(N1)C23C4C5C2C6C5C4C36","SWUWHMZSBVEKIF-UHFFFAOYSA-N","383854",NA,"PDBC15952","672596","Present"
-"2-Cuban-1-ylacetic acid","","","","","","","","","","","","","","","","","","","","2-Cuban-1-ylacetic acid","","C(C(=O)O)C12C3C4C1C5C4C3C25","GUEONBQYTUWHRR-UHFFFAOYSA-N","369184",NA,"PDBC15953","640890","Present"
-"2-Cuban-1-ylsulfanylpyridine","","","","","","","","","","","","","","","","","","","","2-Cuban-1-ylsulfanylpyridine","","C1=CC=NC(=C1)SC23C4C5C2C6C5C4C36","FDNWKPVMRWJKOL-UHFFFAOYSA-N","373488",NA,"PDBC15954","649895","Present"
-"2-Cyano-2-methyl-N-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-3-phenylpropanimidam ide","","","","","","","","","","","","","","","","","","","","2-cyano-2-methyl-N-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-...","","CC(CC1=CC=CC=C1)(C#N)C(=NC2=CC(=NN2C)C3=CC=CS3)N","NDDBFMWZUSHYQV-UHFFFAOYSA-N","24204363",NA,"PDBC15955","731537","Present"
-"2-Cyano-2-phenylsulfanylacetamide","","","","","","","","","","","","","","","","","","","","2-Cyano-2-(phenylsulfanyl)acetamide","","C1=CC=C(C=C1)SC(C#N)C(=O)N","YKFKMNBROMCRSM-UHFFFAOYSA-N","361852",NA,"PDBC15956","625173","Present"
-"2-Cyano-3-(((4-((2-pyridinylamino)sulfonyl)anilino)carbothioyl)amino)acrylamide","","","","","","","","","","","","","","","","","","","","2-Cyano-3-(((4-((2-pyridinylamino)sulfonyl)anilino)carbothioyl)amino)acrylamide","","C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC=C(C#N)C(=O)N","OVMCLUCTATWATD-ZHACJKMWSA-N","3004598",NA,"PDBC15957","658792","Present"
-"2-Cyano-3-(1-phenylindol-3-yl)acrylate","","","","","","","","","","","","","","","","","","","","UK-5099","","C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)O","BIZNHCWFGNKBBZ-JLHYYAGUSA-N","6438504",NA,"PDBC15958","784390","Present"
-"2-Cyano-3-(3,5-dihydroxy-phenyl)-acrylamide","","","","","","","","","","","","","","","","","","","","2-Cyano-3-(3,5-dihydroxy-phenyl)-acrylamide","","C1=C(C=C(C=C1O)O)C=C(C#N)C(=O)N","QPRHWCGQZUBIJC-LREOWRDNSA-N","5388679",NA,"PDBC15959","638078","Present"
-"2-Cyano-3-(3-hydroxy-phenyl)-acrylamide","","","","","","","","","","","","","","","","","","","","2-Cyano-3-(3-hydroxy-phenyl)-acrylamide","","C1=CC(=CC(=C1)O)C=C(C#N)C(=O)N","QNEGNWNZPWHAKM-XBXARRHUSA-N","5388676",NA,"PDBC15960","638073","Present"
-"2-Cyano-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylamino)-3-(4-dimethylamino-1-pyridinio)acrylonitrile","","","","","","","","","","","","","","","","","","","","2-cyano-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylamin...","","CC1=CC(=C(C=C1Cl)[S-])S(=O)(=O)NC(=C(C#N)C#N)[N+]2=CC=C(C=C2)N(C)C","SOZRCBNPAKNYJX-UHFFFAOYSA-N","404421",NA,"PDBC15961","720633","Present"
-"2-Cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide","","","","","","","","","","","","","","","","","","","","2-cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide","","CCN1C2=C(C=C(C=C2)C=C(C#N)C(=S)N)C3=CC=CC=C31","FZRIEBKAYQIEOT-LCYFTJDESA-N","24202813",NA,"PDBC15962","726031","Present"
-"2-Cyano-3-(carbocymethylthio-4-chloro-5-methylphenylsulfonam ido)-3-(4-dimethylamino-1-pyridinio)acrylonitrile","","","","","","","","","","","","","","","","","","","","2-cyano-3-(carbocymethylthio-4-chloro-5-methylphenylsulf...","","CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)N=C(C(=C=[N-])C#N)[N+]2=CC=C(C=C2)N(C)C","WYAUNBZBVHZTKY-GFMRDNFCSA-N","9572582",NA,"PDBC15963","720638","Present"
-"2-Cyano-3-[(thiophene-2-carbonyl)-amino]-quinoxaline-1,4 dioxide","","","","","","","","","","","","","","","","","","","","2-Cyano-3-[(thiophene-2-carbonyl)-amino]-quinoxaline-1,4...","","C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])NC(=O)C3=CC=CS3)C#N)[O-]","SRALZEYSDOLBMG-UHFFFAOYSA-N","135958392",NA,"PDBC15964","741460","Present"
-"2-Cyano-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-Cyano-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide","","C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C4=CC=CC=C4[N+]3=O)[O-])C#N","HXTKFGFYTMCGAJ-UHFFFAOYSA-N","397144",NA,"PDBC15965","704543","Present"
-"2-Cyano-5-(2-methyl-2H-[1,4]triazol-3-ylsulfanyl)-5-p-toly l-penta-2,4-dienoic acid amide","","","","","","","","","","","","","","","","","","","","2-Cyano-5-(2-methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-5-p-...","","CC1=CC=C(C=C1)C(=CC=C(C#N)C(=O)N)SC2=NC=NN2C","MTHNHBLXZMSIKZ-PVRNWPCDSA-N","6074984",NA,"PDBC15966","727949","Present"
-"2-Cyano-6,7-dichloro-3-(4-chloro)phenylquinoxaline","","","","","","","","","","","","","","","","","","","","2-cyano-6,7-dichloro-3-(4-chloro)phenylquinoxaline","","C1=CC(=CC=C1C2=NC3=CC(=C(C=C3N=C2C#N)Cl)Cl)Cl","PBGZBJWEADBMEQ-UHFFFAOYSA-N","11709772",NA,"PDBC15967","727200","Present"
-"2-Cyano-6,7-dichloro-3-(4-methyloxicarbonyl)phenylquinoxalin e","","","","","","","","","","","","","","","","","","","","2-cyano-6,7-dichloro-3-(4-methyloxicarbonyl)phenylquinox...","","COC(=O)C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N=C2C#N)Cl)Cl","FYKWHQSZICPIDB-UHFFFAOYSA-N","11717415",NA,"PDBC15968","727203","Present"
-"2-Cyano-6,7-difluoro-3-(4'-methoxycarbonyl)phenylquinoxaline","","","","","","","","","","","","","","","","","","","","2-cyano-6,7-difluoro-3-(4'-methoxycarbonyl)phenylquinoxa...","","COC(=O)C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N=C2C#N)F)F","IXPRPRSCPKDGFR-UHFFFAOYSA-N","24203459",NA,"PDBC15969","728077","Present"
-"2-Cyano-6,7-difluoro-3-(4-chloro)phenylquinoxaline","","","","","","","","","","","","","","","","","","","","2-cyano-6,7-difluoro-3-(4-chloro)phenylquinoxaline","","C1=CC(=CC=C1C2=NC3=CC(=C(C=C3N=C2C#N)F)F)Cl","LHOXWWLUICHPDB-UHFFFAOYSA-N","11616421",NA,"PDBC15970","727202","Present"
-"2-Cyano-6,7-difluoro-3-(4-methyl)phenylquinoxaline","","","","","","","","","","","","","","","","","","","","2-cyano-6,7-difluoro-3-(4-methyl)phenylquinoxaline","","CC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N=C2C#N)Cl)Cl","NLCLHINNZQXUOQ-UHFFFAOYSA-N","11551399",NA,"PDBC15971","727201","Present"
-"2-Cyano-7-chloro-6-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-Cyano-7-chloro-6-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide","","COC1=C(C=C2C(=C1)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl","ZUEOLSYSLNXOMR-UHFFFAOYSA-N","397145",NA,"PDBC15972","704544","Present"
-"2-Cyano-7-methoxy-3-[(thiophene-2-carbonyl)-amino]-quinoxaline-1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-Cyano-7-methoxy-3-[(thiophene-2-carbonyl)-amino]-quino...","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C#N)NC(=O)C3=CC=CS3)[O-]","ZXZUWOQAZVXCHZ-UHFFFAOYSA-N","135958393",NA,"PDBC15973","741461","Present"
-"2-Cyano-7-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-Quinoxalinecarbonitrile, 7-methoxy-3-[4-(4-nitrophenyl...","","COC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]","OROONQAAYQLBOY-UHFFFAOYSA-N","397146",NA,"PDBC15974","704545","Present"
-"2-Cyano-N,N-diisopropyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","2-Cyano-N,N-diisopropyl-1-cubanecarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4C3C25C#N","KBJJRODRLICCQR-UHFFFAOYSA-N","369212",NA,"PDBC15975","640918","Present"
-"2-Cyano-N-(2,4-dimethylphenyl)-3-phenylacrylamide","","","","","","","","","","","","","","","","","","","","F0103-0016","","CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC=CC=C2)C#N)C","GTYLGQSEHHLRJR-LFIBNONCSA-N","5388140",NA,"PDBC15976","632228","Present"
-"2-Cyano-N-(2-hydroxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","STK950028","","C1=CC=C(C(=C1)NC(=O)CC#N)O","VPYDYCHWWHBLLR-UHFFFAOYSA-N","365135",NA,"PDBC15977","632236","Present"
-"2-Cyano-N-(2-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","2-Cyano-N-(2-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide","","COC1=CC=CC=C1NC(=O)C(=C(SC)SC)C#N","IGVHJMKSIYUYAS-UHFFFAOYSA-N","390324",NA,"PDBC15978","687616","Present"
-"2-Cyano-N-(3-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","2-Cyano-N-(3-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide","","COC1=CC=CC(=C1)NC(=O)C(=C(SC)SC)C#N","IBTGKXABSMUTJG-UHFFFAOYSA-N","390307",NA,"PDBC15979","687599","Present"
-"2-Cyano-N-(4-ethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","Enamine_002270","","CCOC1=CC=C(C=C1)NC(=O)CC#N","OVLKYXWCLMCKIB-UHFFFAOYSA-N","359811",NA,"PDBC15980","621371","Present"
-"2-Cyano-N-(4-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","2-Cyano-N-(4-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide","","COC1=CC=C(C=C1)NC(=O)C(=C(SC)SC)C#N","YZRAAMGMLRQZSB-UHFFFAOYSA-N","390315",NA,"PDBC15981","687607","Present"
-"2-Cyano-N-(4-methylphenyl)-3,3-bis(methylthio)acrylamide","","","","","","","","","","","","","","","","","","","","2-Cyano-N-(4-methylphenyl)-3,3-bis(methylthio)acrylamide","","CC1=CC=C(C=C1)NC(=O)C(=C(SC)SC)C#N","WHADIQMYTXIDJB-UHFFFAOYSA-N","390311",NA,"PDBC15982","687603","Present"
-"2-Cyano-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-Cyano-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]acetamide","","CC1=CC(=C(C(=O)O1)C(=NNC(=O)CC#N)C)O","BBARAQORVYDTER-NTUHNPAUSA-N","135455600",NA,"PDBC15983","618497","Present"
-"2-Cyano-N-[(E)-1-(7-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-yl)ethylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-Cyano-N-[(E)-1-(7-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-yl)ethylideneamino]acetamide","","CC(=NNC(=O)CC#N)C1=C[N+](=C2C=CC(=CC2=[N+]1[O-])OC)[O-]","SFQMHXZGQMNMLT-CXUHLZMHSA-N","135483920",NA,"PDBC15984","635539","Present"
-"2-Cyano-N-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]acetamide","","","","","","","","","","","","","","","","","","","","2-Cyano-N-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]acetamide","","CC1=NN=C(N1NC(=O)CC#N)CC#N","IHUDOOSGJHNXKA-UHFFFAOYSA-N","386775",NA,"PDBC15985","679483","Present"
-"2-Cyano-N-[3-(trifluoromethyl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","Maybridge1_002329","","C1=CC(=CC(=C1)NC(=O)CC#N)C(F)(F)F","HYPXSLNQQNLJDY-UHFFFAOYSA-N","359806",NA,"PDBC15986","621366","Present"
-"2-Cyano-N-hexylacetohydrazide","","","","","","","","","","","","","","","","","","","","2-Cyano-N-hexyl-acetohydrazide","","CCCCCCN(C(=O)CC#N)N","PYIJRKAYVQGELK-UHFFFAOYSA-N","366953",NA,"PDBC15987","636115","Present"
-"2-Cyanoethyl 2-iminocyclopentanecarbodithioate","","","","","","","","","","","","","","","","","","","","Cyclopentanecarbodithioic acid, 2-imino-, 2-cyanoethyl e...","","C1CC(C(=N)C1)C(=S)SCCC#N","BXYQFEVQIURBAI-UHFFFAOYSA-N","327580",NA,"PDBC15988","303289","Present"
-"2-Cyclohepta[b]pyrrol-2-yl-5-methyl-1,2-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","2-Cyclohepta[b]pyrrol-2-yl-5-methyl-1,2-dihydro-3H-pyrazol-3-one","","CC1=CC(=O)N(N1)C2=CC3=CC=CC=CC3=N2","OVAFYYYFCUVKGC-UHFFFAOYSA-N","363757",NA,"PDBC15989","628949","Present"
-"2-Cyclohexen-1-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","2-Cyclohexen-1-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","C1CC=CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C1","ZMXJLBYYNDEELC-UKTHLTGXSA-N","5378003",NA,"PDBC15990","670175","Present"
-"2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-","","","","","","","","","","","","","","","","","","","","2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-","","C1CC(=C(C(=O)C1)SC2=C(CCCC2=O)O)O","BVNAHAUBKFUXHA-UHFFFAOYSA-N","363033",NA,"PDBC15991","627577","Present"
-"2-Cyclohexen-3,5-diol-1-one, 2-dodecanoyl-","","","","","","","","","","","","","","","","","","","","2-Cyclohexen-3,5-diol-1-one, 2-dodecanoyl-","","CCCCCCCCCCCC(=C1C(=O)CC(CC1=O)O)O","ZINKGJRHCVLYDS-UHFFFAOYSA-N","365013",NA,"PDBC15992","631948","Present"
-"2-Cyclohexen-3,6-diol-1-one, 2-dodecanoyl-","","","","","","","","","","","","","","","","","","","","2-Cyclohexen-3,6-diol-1-one, 2-dodecanoyl-","","CCCCCCCCCCCC(=O)C1=C(C(CCC1=O)O)O","UKCWKCBAPZZCTP-UHFFFAOYSA-N","360503",NA,"PDBC15993","622637","Present"
-"2-Cyclohexen-3-ol-1-one, 2-[11-phenylundecanoyl]-","","","","","","","","","","","","","","","","","","","","2-Cyclohexen-3-ol-1-one, 2-[11-phenylundecanoyl]-","","C1CC(=O)C(=C(CCCCCCCCCCC2=CC=CC=C2)O)C(=O)C1","QYIYKHSEQSUEQR-UHFFFAOYSA-N","365014",NA,"PDBC15994","631949","Present"
-"2-Cyclohexyl-2-azaspiro[3.5]nonan-3-one","","","","","","","","","","","","","","","","","","","","2-Cyclohexyl-2-azaspiro[3.5]nonan-3-one","","C1CCC(CC1)N2CC3(C2=O)CCCCC3","FTSXEFIPTFYXIJ-UHFFFAOYSA-N","357705",NA,"PDBC15995","617222","Present"
-"2-Cyclohexyl-3-(3-nitrophenyl)oxaziridine","","","","","","","","","","","","","","","","","","","","2-Cyclohexyl-3-(3-nitrophenyl)oxaziridine","","C1CCC(CC1)N2C(O2)C3=CC(=CC=C3)[N+](=O)[O-]","IOXPEEMDMAXKEF-UHFFFAOYSA-N","272286",NA,"PDBC15996","116590","Present"
-"2-Cyclohexylacetaldehyde","","","","","","","","","","","","","","","","","","","","Cyclohexaneacetaldehyde","","C1CCC(CC1)CC=O","JJMDTERTPNYIGZ-UHFFFAOYSA-N","316627",NA,"PDBC15997","244934","Present"
-"2-Cyclohexylethynyl-4,3,5-triazine","","","","","","","","","","","","","","","","","","","","2-Cyclohexylethynyl-4,6-dimethoxy-1,3,5-triazine","","COC1=NC(=NC(=N1)C#CC2CCCCC2)OC","OLFDRSWEZYNWST-UHFFFAOYSA-N","405237",NA,"PDBC15998","722338","Present"
-"2-Cyclohexylidenevinylphosphonic acid","","","","","","","","","","","","","","","","","","","","2-Cyclohexylidenevinylphosphonic acid","","C1CCC(=C=CP(=O)(O)O)CC1","IEOUMQUBYNVDCH-UHFFFAOYSA-N","380887",NA,"PDBC15999","666671","Present"
-"2-Cyclohexylphenyl 1-naphthylcarbamate","","","","","","","","","","","","","","","","","","","","2-Cyclohexylphenyl 1-naphthylcarbamate","","C1CCC(CC1)C2=CC=CC=C2OC(=O)NC3=CC=CC4=CC=CC=C43","KNNNLPBMBXPXKW-UHFFFAOYSA-N","361277",NA,"PDBC16000","624220","Present"
-"2-Cyclohexylphenyl phenylcarbamate","","","","","","","","","","","","","","","","","","","","2-Cyclohexylphenyl phenylcarbamate","","C1CCC(CC1)C2=CC=CC=C2OC(=O)NC3=CC=CC=C3","HCFJXSRBRJQJCJ-UHFFFAOYSA-N","361278",NA,"PDBC16001","624221","Present"
-"2-Cyclopenta[2,1-b","","","","","","","","","","","","","","","","","","","","2-Cyclopenta[2,1-b","","COC(=O)C1=C(SC(=C2C3=C(C4=C2C=CS4)SC=C3)S1)C(=O)OC","UHDORDOYICOYKC-UHFFFAOYSA-N","379962",NA,"PDBC16002","665156","Present"
-"2-Cyclopenten-1-one, hydrochloride","","","","","","","","","","","","","","","","","","","","2-Cyclopenten-1-one, 5-[(dimethylamino)methyl]-2-[2-[4- ...","","CC(C)CC1=CC=C(C=C1)C(C)CC2=CCC(C2=O)CN(C)C.Cl","XPGPBGPRPPCIOM-UHFFFAOYSA-N","362663",NA,"PDBC16003","626876","Present"
-"2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-","","","","","","","","","","","","","","","","","","","","DMLFZPPSYYJZHM-UHFFFAOYSA-N","","COC1CC(=O)C(=C1)NC2=CC(=CC=C2)Cl","DMLFZPPSYYJZHM-UHFFFAOYSA-N","359318",NA,"PDBC16004","620080","Present"
-"2-Cyclopentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Cyclopentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","C1CCN(CC1)CC2CCC(=C3CCCC3)C2=O.Cl","XVAPHLYEMBPCME-UHFFFAOYSA-N","368460",NA,"PDBC16005","639508","Present"
-"2-Cyclopentylidene-5-[(dimethylamino)methyl]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","3-[(Dimethylamino)methyl]-1,1'-bi(cyclopentyliden)-2-one","","CN(C)CC1CCC(=C2CCCC2)C1=O","IDAOINVXJKIMPD-UHFFFAOYSA-N","368780",NA,"PDBC16006","639980","Present"
-"2-Cyclopropene-1-carboxylic acid, 2-(1-hydroxy-1-methylethyl)-, ethyl ester","","","","","","","","","","","","","","","","","","","","2-Cyclopropene-1-carboxylic acid, 2-(1-hydroxy-1-methylethyl)-, ethyl ester","","CCOC(=O)C1C=C1C(C)(C)O","YWJRVKPZFBEKRF-UHFFFAOYSA-N","379001",NA,"PDBC16007","662771","Present"
-"2-Cyclopropyl-1,3-benzoxazepin-5-ol","","","","","","","","","","","","","","","","","","","","2-Cyclopropyl-1,3-benzoxazepin-5-ol","","C1CC1C2=NC=C(C3=CC=CC=C3O2)O","SCLIIBDWIGVZNQ-UHFFFAOYSA-N","371952",NA,"PDBC16008","646709","Present"
-"2-Cyclopropyl-5-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","2-cyclopropyl-5-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethox...","","COC1=C(C=C(C=C1)C2=C(N=C3N2N=C(S3)C4CC4)C5=CC(=C(C(=C5)OC)OC)OC)OC","YHOUCGMIPIRBAV-UHFFFAOYSA-N","127036222",NA,"PDBC16009","775002","Present"
-"2-Debenzoyl-2-(3',5'-difluorobenzoyl)-A-nortaxol","","","","","","","","","","","","","","","","","","","","2-debenzoyl-2-(3',5'-difluorobenzoyl)-a-nortaxol","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C2(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)C(=C)C)OC(=O)C7=CC(=CC(=C7)F)F)(CO4)OC(=O)C)O)C)OC(=O)C","PAMGAKKRYNEWMG-BCAIOGNXSA-N","6712230",NA,"PDBC16010","661746","Present"
-"2-Debenzoyl-2-(p-fluorobenzoyl)paclitaxel","","","","","","","","","","","","","","","","","","","","2-Debenzoyl-2-(p-fluorobenzoyl)paclitaxel","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=C(C=C7)F)(CO4)OC(=O)C)O)C)OC(=O)C","QOBLNAMMILBXCH-MZXODVADSA-N","384063",NA,"PDBC16011","673188","Present"
-"2-Demethyl-N-trifluoroacetyl-deacetylcolchicine","","","","","","","","","","","","","","","","","","","","colchine, 2-demethyl, n-trifluoro acetyl","","COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F","BXGLTIXFXLUVOH-ZDUSSCGKSA-N","73627",NA,"PDBC16012","335989","Present"
-"2-Deoxy-2-fluoro-L-fucose","","","","","","","","","","","","","","","","","","","","SGN-2FF","","CC1C(C(C(C(O1)O)F)O)O","IRKXGKIPOMIQOD-ZZWDRFIYSA-N","44544736",NA,"PDBC16013","803552","Present"
-"2-Deoxy-4,7-furanose","","","","","","","","","","","","","","","","","","","","2-Deoxy-4,5:6.8-di-O-isopropylidene-.alpha.-L-gulo-oct-4...","","CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(CCO)O)C","LMYGIECOUAXPCD-RFMRNQOOSA-N","395855",NA,"PDBC16014","700858","Present"
-"2-Deoxy-D-galactose","","","","","","","","","","","","","","","","","","","","Ba 2758","","C(C=O)C(C(C(CO)O)O)O","VRYALKFFQXWPIH-UHFFFAOYSA-N","225612",NA,"PDBC16015","15193","Present"
-"2-Diazo-1-(2-oxooxazolidin-3-yl)butane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-Diazonio-3-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)but-1-en-1-olate","","CC(=O)C(=[N+]=[N-])C(=O)N1CCOC1=O","WHKYTJCDHGJQQL-UHFFFAOYSA-N","379158",NA,"PDBC16016","663572","Present"
-"2-Diazo-1-[1-(2-diazoacetyl)cyclopropyl]ethanone","","","","","","","","","","","","","","","","","","","","2-Diazo-1-[1-(2-diazoacetyl)cyclopropyl]ethanone","","C1CC1(C(=O)C=[N+]=[N-])C(=O)C=[N+]=[N-]","XEFLXSCUSQPHGX-UHFFFAOYSA-N","373314",NA,"PDBC16017","649460","Present"
-"2-Diazo-1-[2-(4-phenylbut-1-ynyl)phenyl]ethanone","","","","","","","","","","","","","","","","","","","","2-Diazonio-1-[2-(4-phenylbut-1-yn-1-yl)phenyl]ethenolate","","C1=CC=C(C=C1)CCC#CC2=CC=CC=C2C(=O)C=[N+]=[N-]","RBUMGDQJMZOAGK-UHFFFAOYSA-N","373282",NA,"PDBC16018","649433","Present"
-"2-Dibenzoylmethylene-2h-1,4-benzothiazin-3(4h)-one","","","","","","","","","","","","","","","","","","","","2-(3-Oxo-3,4-dihydro-2h-1,4-benzothiazin-2-ylidene)-1,3-diphenylpropane-1,3-dione","","C1=CC=C(C=C1)C(=O)C(=C2C(=O)NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4","ZPFVLYZODDQHMU-UHFFFAOYSA-N","398013",NA,"PDBC16019","707086","Present"
-"2-Didin","","","","","","","","","","","","","","","","","","","","2-Didin","","CC1=C(ON=C1C)NC2=CC(=NC3=C(C(=NO3)C)C)C4=CC=CC=C4C2=O","YOVXBSRIHBCXAV-LTGZKZEYSA-N","9571373",NA,"PDBC16020","649748","Present"
-"2-Diethoxyphosphoryl-4-phenyl-aniline","","","","","","","","","","","","","","","","","","","","2-Diethoxyphosphoryl-4-phenyl-aniline","","CCOP(=O)(C1=C(C=CC(=C1)C2=CC=CC=C2)N)OCC","BTDWQSGIXUBSEQ-UHFFFAOYSA-N","392915",NA,"PDBC16021","694098","Present"
-"2-Diethoxyphosphoryl-N-methyl-butan-2-amine","","","","","","","","","","","","","","","","","","","","2-Diethoxyphosphoryl-N-methyl-butan-2-amine","","CCC(C)(NC)P(=O)(OCC)OCC","TXVVXXMNYJCVPX-UHFFFAOYSA-N","385499",NA,"PDBC16022","676748","Present"
-"2-Diethylphosphono-3-(2-furyl)propionitrile","","","","","","","","","","","","","","","","","","","","2-Diethylphosphono-3-(2-furyl)propionitrile","","CCOP(=O)(C(CC1=CC=CO1)C#N)OCC","BUAJNNUBCLUMGD-UHFFFAOYSA-N","379124",NA,"PDBC16023","663400","Present"
-"2-Diethylphosphono-3-methyl-3-(2-furyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","2-Diethylphosphono-3-methyl-3-(2-furyl)acrylonitrile","","CCOP(=O)(C(=C(C)C1=CC=CO1)C#N)OCC","ZMUNIPNIVIABBB-ZRDIBKRKSA-N","6078880",NA,"PDBC16024","663401","Present"
-"2-Diisopropoxyphosphoryl-1,1,1,3,3,3-hexafluoro-propane","","","","","","","","","","","","","","","","","","","","2-Diisopropoxyphosphoryl-1,1,1,3,3,3-hexafluoro-propane","","CC(C)OP(=O)(C(C(F)(F)F)C(F)(F)F)OC(C)C","ATYMUVUKQLLYOL-UHFFFAOYSA-N","389111",NA,"PDBC16025","684796","Present"
-"2-Diisopropoxyphosphoryl-4-ethyl-2-[(E)-(4-nitrophenyl)azo]oxazolidin-5-one","","","","","","","","","","","","","","","","","","","","2-Diisopropoxyphosphoryl-4-ethyl-2-[(E)-(4-nitrophenyl)azo]oxazolidin-5-one","","CCC1C(=O)OC(N1)(N=NC2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C","OBJIVGDTIWTEFE-UHFFFAOYSA-N","374425",NA,"PDBC16026","652136","Present"
-"2-Dimethoxyphosphoryl-1-[3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","2-Dimethoxyphosphoryl-1-[3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone","","COP(=O)(CC(=O)C1C(C(C(C(O1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC","DPMSORJUKBRMCT-UHFFFAOYSA-N","402827",NA,"PDBC16027","717079","Present"
-"2-Dimethoxyphosphoryl-1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanone","","","","","","","","","","","","","","","","","","","","NSC717077///NSC717078","","COC1C(C(C(C(O1)C(=O)CP(=O)(OC)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","UPFWYQIWBFCVLZ-UHFFFAOYSA-N","402826",NA,"PDBC16028","717077///717078","Present"
-"2-Dimethylaminomethyl-cyclopentanone oxime","","","","","","","","","","","","","","","","","","","","2-Dimethylaminomethyl-cyclopentanone oxime","","CN(C)CC1CCCC1=NO","FVVHFWFLBFJLPR-CMDGGOBGSA-N","5916938",NA,"PDBC16029","638640","Present"
-"2-Dimethylphosphoryl-2,3,4-trimethylpentane","","","","","","","","","","","","","","","","","","","","2-Dimethylphosphoryl-2,3,4-trimethylpentane","","CC(C)C(C)C(C)(C)P(=O)(C)C","QVUOCBYSYIICNY-UHFFFAOYSA-N","357595",NA,"PDBC16030","617068","Present"
-"2-Dimethylthallanyloxycyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-Dimethylthallanyloxycyclohepta-2,4,6-trien-1-one","","","","",NA,"PDBC16031","644914","Present"
-"2-Diphenylmethylamino-2-oxazoline","","","","","","","","","","","","","","","","","","","","LS-100730","","C1COC(=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3","PKQVSBQIQNUSJC-UHFFFAOYSA-N","379224",NA,"PDBC16032","663638","Present"
-"2-Diphenylphosphanyl-1-[3-(2-diphenylphosphanylacetyl)phenyl]ethanone","","","","","","","","","","","","","","","","","","","","Ethanone, 1,1'-(1,3-phenylene)bis[2-(diphenylphosphino)-","","C1=CC=C(C=C1)P(CC(=O)C2=CC(=CC=C2)C(=O)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","NQDNXPDXZIAHJT-UHFFFAOYSA-N","378387",NA,"PDBC16033","660686","Present"
-"2-Diphenylphosphanylethyl(dipyridin-2-yl)phosphane","","","","","","","","","","","","","","","","","","","","Phosphine, [2-(dipyridinylphosphino)ethyl]diphenyl-","","C1=CC=C(C=C1)P(CCP(C2=CC=CC=N2)C3=CC=CC=N3)C4=CC=CC=C4","VZLPLTZBCKHJAO-UHFFFAOYSA-N","400499",NA,"PDBC16034","712396","Present"
-"2-Diphenylphosphoryl-1-[3-(2-diphenylphosphorylacetyl)phenyl]ethanone","","","","","","","","","","","","","","","","","","","","Ethanone, 1,1'-(1,3-phenylene)bis[2-(diphenylphosphinyl)-","","C1=CC=C(C=C1)P(=O)(CC(=O)C2=CC(=CC=C2)C(=O)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","SAQWUXJJGWMOLG-UHFFFAOYSA-N","378386",NA,"PDBC16035","660685","Present"
-"2-Diphenylthallanyloxycyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-Diphenylthallanyloxycyclohepta-2,4,6-trien-1-one","","","","",NA,"PDBC16036","644915","Present"
-"2-Ethenyl estradiol","","","","","","","","","","","","","","","","","","","","2-ethenyl estradiol","","CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)C=C)O","BFKMKTXWLSOMEF-SSGANFLRSA-N","381026",NA,"PDBC16037","667049","Present"
-"2-Ethenyl-4-methyl-1-prop-2-enoxybenzimidazole","","","","","","","","","","","","","","","","","","","","2-Ethenyl-4-methyl-1-prop-2-enoxybenzimidazole","","CC1=C2C(=CC=C1)N(C(=N2)C=C)OCC=C","NVKQYGYOBRMEQI-UHFFFAOYSA-N","399713",NA,"PDBC16038","710717","Present"
-"2-Ethoxy-1,10-phenanthroline","","","","","","","","","","","","","","","","","","","","VUF-7745","","CCOC1=NC2=C(C=CC3=C2N=CC=C3)C=C1","MRIYYOMMNFKIOZ-UHFFFAOYSA-N","355195",NA,"PDBC16039","608429","Present"
-"2-Ethoxy-1,5,6-trimethoxyphenanthrene-4-carbaldehyde","","","","","","","","","","","","","","","","","","","","2-Ethoxy-1,5,6-trimethoxyphenanthrene-4-carbaldehyde","","CCOC1=C(C2=C(C(=C1)C=O)C3=C(C=C2)C=CC(=C3OC)OC)OC","SYZUCTPMCOIUMC-UHFFFAOYSA-N","356187",NA,"PDBC16040","611270","Present"
-"2-Ethoxy-1,5,6-trimethoxyphenanthrene-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Ethoxy-1,5,6-trimethoxyphenanthrene-4-carboxylic acid","","CCOC1=C(C2=C(C(=C1)C(=O)O)C3=C(C=C2)C=CC(=C3OC)OC)OC","HRKRLHFXNCAOAK-UHFFFAOYSA-N","356186",NA,"PDBC16041","611269","Present"
-"2-Ethoxy-3,17beta-dihydroxy-1,3,5(10)-estratrien-6-one O-methyl oxime","","","","","","","","","","","","","","","","","","","","2-Ethoxy-6-(O-methyl)hydroxyiminoestra-1,3,5(10)-trien-3...","","CCOC1=C(C=C2C(=NOC)CC3C(C2=C1)CCC4(C3CCC4O)C)O","UEBKXOVVEDPLRF-JEWOCWDMSA-N","5469096",NA,"PDBC16042","683125","Present"
-"2-Ethoxy-3,17beta-dihydroxy-1,3,5(10)-estratrien-6-one hydrazone","","","","","","","","","","","","","","","","","","","","2-Ethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-diol hydr...","","CCOC1=C(C=C2C(=NN)CC3C(C2=C1)CCC4(C3CCC4O)C)O","FAWYOZHQZVQBPR-OAIJLOQGSA-N","5469079",NA,"PDBC16043","682597","Present"
-"2-Ethoxy-3,17beta-dihydroxy-1,3,5(10)-estratrien-6-one oxime","","","","","","","","","","","","","","","","","","","","Estra-1,3,5(10)-trien-3,17-diol,2-ethoxy-6-(hydroxyimino...","","CCOC1=C(C=C2C(=NO)CC3C(C2=C1)CCC4(C3CCC4O)C)O","SMKGGPJGMFBQDP-ZMMLKIRESA-N","5468960",NA,"PDBC16044","680185","Present"
-"2-Ethoxy-3,3,4-trimethyl-2-oxido-3,4-dihydro-2H-1,4,2-diazaphosphol-5-ylcyanamide","","","","","","","","","","","","","","","","","","","","(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2$l^{5}-diazaphosphol-5-yl)cyanamide","","CCOP1(=O)C(N(C(=N1)NC#N)C)(C)C","UNZXIRGVUSODFR-UHFFFAOYSA-N","382494",NA,"PDBC16045","670100","Present"
-"2-Ethoxy-3,8,9-trimethoxy-5-methyl-12-phenylmethoxybenzo[c]phenanthridin-5-ium;methanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-Ethoxy-3,8,9-trimethoxy-5-methyl-12-phenylmethoxybenzo[c]phenanthridin-5-ium;methanesulfonic acid","","CCOC1=C(C=C2C(=C1)C(=CC3=C2[N+](=CC4=CC(=C(C=C43)OC)OC)C)OCC5=CC=CC=C5)OC.CS(=O)(=O)O","RTRYXIDEIYACKQ-UHFFFAOYSA-N","434591",NA,"PDBC16046","352671","Present"
-"2-Ethoxy-3-[2-[2-(2-ethoxy-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)ethyldisulfanyl]ethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-Ethoxy-3-[2-[2-(2-ethoxy-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethyldisulfanyl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one","","CCOC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCSSCCN4C(=O)C5=C(N=C4OCC)SC6=C5CCCC6","ZNOWOJMSFPKGAI-UHFFFAOYSA-N","393117",NA,"PDBC16047","694517","Present"
-"2-Ethoxy-3-hydroxy-17alpha/beta-aminoestra-1,5(10)-triene, HCl salt","","","","","","","","","","","","","","","","","","","","2-Ethoxy-3-hydroxy-17.alpha./.beta.-aminoestra-1,3,5(10)...","","CCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4N)C)O.Cl","WLCLWOSJZNBLRB-ZPTZPHRNSA-N","390222",NA,"PDBC16048","687454","Present"
-"2-Ethoxy-3-phenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,2-a]pyridine","","","","","","","","","","","","","","","","","","","","2-Ethoxy-3-phenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,2-a]pyridine","","CCOC1=C(N2CCCCC2O1)C3=CC=CC=C3","MLJYIBWSHNAXMA-UHFFFAOYSA-N","386210",NA,"PDBC16049","677925","Present"
-"2-Ethoxy-4-[(E)-[2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol","","","","","","","","","","","","","","","","","","","","2-Ethoxy-4-[(E)-[2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol","","CCOC1=C(C=CC(=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC(=C(C=C5)O)OCC)O","ZRHOLDGMPVFYAD-OCHFTUDZSA-N","135505246",NA,"PDBC16050","708415","Present"
-"2-Ethoxy-4-[(Z)-hydroxyiminomethyl]-6-[(E)-hydroxyiminomethyl]phenol","","","","","","","","","","","","","","","","","","","","2-Ethoxy-4-[(Z)-hydroxyiminomethyl]-6-[(E)-hydroxyiminomethyl]phenol","","CCOC1=CC(=CC(=C1O)C=NO)C=NO","DGUAXKOTIXOEKG-JTAXDKCCSA-N","135436332",NA,"PDBC16051","720188","Present"
-"2-Ethoxy-5-((4-methoxybenzylidene)amino)-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Ethoxy-5-((4-methoxybenzylidene)amino)-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile","","CCOC1C(C(=C(N1)N=CC2=CC=C(C=C2)OC)C#N)C#N","KSCNNVYHYRIWMR-VXLYETTFSA-N","9571493",NA,"PDBC16052","672152","Present"
-"2-Ethoxy-6,7-dehydroestradiol","","","","","","","","","","","","","","","","","","","","2-Ethoxy-6,7-dehydroestra-1,3,5(10)-trien-3,17.beta.-diol","","CCOC1=C(C=C2C=CC3C(C2=C1)CCC4(C3CCC4O)C)O","YUDPWHPTUOHTND-BKRJIHRRSA-N","388992",NA,"PDBC16053","684423","Present"
-"2-Ethoxy-6-(hydroxymethyl)-2H-pyran-5-one","","","","","","","","","","","","","","","","","","","","6-Ethoxy-2-(hydroxymethyl)-2h-pyran-3(6h)-one","","CCOC1C=CC(=O)C(O1)CO","DSLXQUZNOYUOKK-UHFFFAOYSA-N","398342",NA,"PDBC16054","708062","Present"
-"2-Ethoxy-6-[(E)-[2-[[2-[(E)-(3-ethoxy-2-hydroxy-phenyl)methyleneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol","","","","","","","","","","","","","","","","","","","","2-Ethoxy-6-[[2-[[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol","","CCOC1=CC=CC(=C1O)C=NC2=CC=CC=C2SSC3=CC=CC=C3N=CC4=C(C(=CC=C4)OCC)O","KNJSEVWCSBBTTF-UHFFFAOYSA-N","386264",NA,"PDBC16055","678007","Present"
-"2-Ethoxy-6-hydroxyestradiol","","","","","","","","","","","","","","","","","","","","Estra-1,3,5(10)-triene-3,6,17.beta.-triol, 2-ethoxy-","","CCOC1=C(C=C2C(CC3C(C2=C1)CCC4(C3CCC4O)C)O)O","ABGGECJHBPJFCE-QUZVSAKKSA-N","388671",NA,"PDBC16056","683688","Present"
-"2-Ethoxy-6-keto-estradiol","","","","","","","","","","","","","","","","","","","","2-Ethoxy-6-keto-estradiol","","CCOC1=C(C=C2C(=O)CC3C(C2=C1)CCC4(C3CCC4O)C)O","CBJHVMQFLMDNFG-XRTCRYGSSA-N","386752",NA,"PDBC16057","679431","Present"
-"2-Ethoxy-6-oxoestra-1,5(10)-trien-3,17beta-diol, 6-tosylhydrazone","","","","","","","","","","","","","","","","","","","","2-Ethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-diol, 6-t...","","CCOC1=C(C=C2C(=NNS(=O)(=O)C3=CC=C(C=C3)C)CC4C(C2=C1)CCC5(C4CCC5O)C)O","YEFYZUYMZYEVNF-PUVPYJCASA-N","9572004",NA,"PDBC16058","685231","Present"
-"2-Ethoxy-6-phenyl-5,6-dihydro-4H-1,3-thiazin-4-one","","","","","","","","","","","","","","","","","","","","2-Ethoxy-6-phenyl-5,6-dihydro-4H-1,3-thiazin-4-one","","CCOC1=NC(=O)CC(S1)C2=CC=CC=C2","NJZDXTWIUZBSOT-UHFFFAOYSA-N","371482",NA,"PDBC16059","645760","Present"
-"2-Ethoxy-6alpha,3,5(10)-trien-3,17beta-diol","","","","","","","","","","","","","","","","","","","","2-Ethoxy-6.alpha.,.beta.-amino-estra-1,3,5(10)-trien-3,1...","","CCOC1=C(C=C2C(CC3C(C2=C1)CCC4(C3CCC4O)C)N)O.Cl","IPYMZOJNZHSHFF-ABAQYMTESA-N","387324",NA,"PDBC16060","681069","Present"
-"2-Ethoxy-N-methyl-N-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-4-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-Ethoxy-N-methyl-N-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-4-yl)acetamide","","CCOCC(=O)N(C)C1=CC=CC2=C1N(C3=C2CCCCC3)C","GHHPBTIYGUQHDG-UHFFFAOYSA-N","362834",NA,"PDBC16061","627204","Present"
-"2-Ethyl 3-[(6-ethyl, 5-(4-chlorophenyl) pyrimidin-2-yl)] quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-ethyl 3-[(6-ethyl, 4-amino, 5-(4-chlorophenyl) pyrimid...","","CCC1=C(C(=NC(=N1)N2C(=NC3=CC=CC=C3C2=O)CC)N)C4=CC=C(C=C4)Cl","QBFNQOTVIHNUGO-UHFFFAOYSA-N","24202901",NA,"PDBC16062","726194","Present"
-"2-Ethyl 4,6-dimethyl 2-azabicyclo[2.2.2]oct-7-ene-2,4,6-tricarboxylate","","","","","","","","","","","","","","","","","","","","2-Ethyl 4,6-dimethyl 2-azabicyclo[2.2.2]oct-7-ene-2,4,6-tricarboxylate","","CCOC(=O)N1CC2(CC(C1C=C2)C(=O)OC)C(=O)OC","HFNDOFREJAHKCB-UHFFFAOYSA-N","393314",NA,"PDBC16063","694979","Present"
-"2-Ethyl 6-methyl 3,5-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-thiomorpholinedicarboxylate 1,1-dioxide","","","","","","","","","","","","","","","","","","","","Ethyl methyl 3,5-bis(4-nitrophenyl)thiomorpholine-2,6-dicarboxylate 1,1-dioxide","","CCOC(=O)C1C(NC(C(S1(=O)=O)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]","FVPWVBLGYHLKEH-UHFFFAOYSA-N","373601",NA,"PDBC16064","650205","Present"
-"2-Ethyl 6-methyl 3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,6-thiomorpholinedicarboxylate 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-O-Ethyl 6-O-methyl 3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-1,1-dioxo-1,4-thiazinane-2,6-dicarboxylate","","CCOC(=O)C1C(NC(C(S1(=O)=O)C(=O)OC)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)Cl)Cl","SJEOLIGCEZZSJQ-UHFFFAOYSA-N","373600",NA,"PDBC16065","650204","Present"
-"2-Ethyl 6-methyl 4-benzyl-3,5-bis(4-bromophenyl)-2,6-thiomorpholinedicarboxylate 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-Ethyl 6-methyl 4-benzyl-3,5-bis(4-bromophenyl)-2,6-thiomorpholinedicarboxylate 1,1-dioxide","","CCOC(=O)C1C(N(C(C(S1(=O)=O)C(=O)OC)C2=CC=C(C=C2)Br)CC3=CC=CC=C3)C4=CC=C(C=C4)Br","RGFYIXPHTFWCMP-UHFFFAOYSA-N","373602",NA,"PDBC16066","650206","Present"
-"2-Ethyl 6-methyl 4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","2-Ethyl 6-methyl 4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","CCOC(=O)N1CC2(CC(C1C=C2)C(=O)OC)C","IIEDUDGRNQRRBV-UHFFFAOYSA-N","393311",NA,"PDBC16067","694976","Present"
-"2-Ethyl-1,2-benzothiazol-3-one","","","","","","","","","","","","","","","","","","","","2-Ethyl-1,2-benzothiazol-3-one","","CCN1C(=O)C2=CC=CC=C2S1","RTMDCQYUXWCPQG-UHFFFAOYSA-N","337889",NA,"PDBC16068","357895","Present"
-"2-Ethyl-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium","","","","","","","","","","","","","","","","","","","","2-ethyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide","","CCC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","QFKUEEFRFIAMTK-UHFFFAOYSA-N","137630808",NA,"PDBC16069","788638","Present"
-"2-Ethyl-1,3-dineopentyl-4,6-diphenyl-1,3,2-diazaphosphinane 2-oxide","","","","","","","","","","","","","","","","","","","","2-Ethyl-1,3-dineopentyl-4,6-diphenyl-1,3,2-diazaphosphinane 2-oxide","","CCP1(=O)N(C(CC(N1CC(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3)CC(C)(C)C","KVOAHHNFPJZJCS-UHFFFAOYSA-N","395347",NA,"PDBC16070","699829","Present"
-"2-Ethyl-1-azabicyclo[2.2.2]oct-3-yl 3-hydroxy-3,3-diphenylpropanoate","","","","","","","","","","","","","","","","","","","","2-Ethyl-1-azabicyclo[2.2.2]oct-3-yl 3-hydroxy-3,3-diphenylpropanoate","","CCC1C(C2CCN1CC2)OC(=O)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O","LGCQVJSQUJNJEC-UHFFFAOYSA-N","380299",NA,"PDBC16071","665779","Present"
-"2-Ethyl-1H-benzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Ethyl-1H-benzo[f]benzimidazole-4,9-dione","","CCC1=NC2=C(N1)C(=O)C3=CC=CC=C3C2=O","BDRALAFPLKRVJQ-UHFFFAOYSA-N","225437",NA,"PDBC16072","14772","Present"
-"2-Ethyl-3-isopropyl-6-methyl-1,3,2-oxazaphosphinane 2-sulfide","","","","","","","","","","","","","","","","","","","","2-ethyl-6-methyl-3-(1-methylethyl)-1,3,2-oxazaphosphinane 2-sulfide","","CCP1(=S)N(CCC(O1)C)C(C)C","IHOQDODDPRGHAW-UHFFFAOYSA-N","395334",NA,"PDBC16073","699816","Present"
-"2-Ethyl-3-methyl-5,8-quinoxalinediol","","","","","","","","","","","","","","","","","","","","2-Ethyl-3-methyl-1,4-dihydroquinoxaline-5,8-dione","","CCC1=NC2=C(C=CC(=C2N=C1C)O)O","FLWRSLKVPNXQCG-UHFFFAOYSA-N","135429854",NA,"PDBC16074","128832","Present"
-"2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone","","","","","","","","","","","","","","","","","","","","2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone","","CCC(C(=O)C1=CC=CS1)C(C(F)(F)F)(C(F)(F)F)O","NYGZGAZDWNXLMT-UHFFFAOYSA-N","294204",NA,"PDBC16075","162215","Present"
-"2-Ethyl-4-(dimethylamino)-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-dimethylamino-2-ethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate","","CCC1=C(C(=C2CCC3=CC=CC=C3C2=N1)N(C)C)C(=O)OC","BTEVIFBNQOUTRG-UHFFFAOYSA-N","399193",NA,"PDBC16076","709855","Present"
-"2-Ethyl-4-methyl-1-((4-methylphenyl)sulfonyl)-1,2,3,6-tetrahydropyridine","","","","","","","","","","","","","","","","","","","","2-Ethyl-4-methyl-1-((4-methylphenyl)sulfonyl)-1,2,3,6-tetrahydropyridine","","CCC1CC(=CCN1S(=O)(=O)C2=CC=C(C=C2)C)C","XHZFNIJPUOVAET-UHFFFAOYSA-N","364717",NA,"PDBC16077","631375","Present"
-"2-Ethyl-5-(12-tridecenyl)pyrrolidine","","","","","","","","","","","","","","","","","","","","2-Ethyl-5-(12-tridecenyl)pyrrolidine","","CCC1CCC(N1)CCCCCCCCCCCC=C","PXXOCCKIKHYKDO-UHFFFAOYSA-N","370505",NA,"PDBC16078","643726","Present"
-"2-Ethyl-5-tridecylpyrrolidine","","","","","","","","","","","","","","","","","","","","2-Ethyl-5-tridecylpyrrolidine","","CCCCCCCCCCCCCC1CCC(N1)CC","DRZNECYKTJYDIR-UHFFFAOYSA-N","370504",NA,"PDBC16079","643725","Present"
-"2-Ethyl-6-(4-morpholinyl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine","","","","","","","","","","","","","","","","","","","","2-Ethyl-6-(4-morpholinyl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine","","CCC1=NC(N=C(O1)N2CCOCC2)(C(F)(F)F)C(F)(F)F","HRILLCCOHQOIEL-UHFFFAOYSA-N","383684",NA,"PDBC16080","672102","Present"
-"2-Ethyl-7-methoxycyclohepta[cd][1]benzofuran","","","","","","","","","","","","","","","","","","","","2-Ethyl-7-methoxycyclohepta[cd][1]benzofuran","","CCC1=C2C=CC=CC3=C(C=CC(=C32)O1)OC","CHAVGDBTMCKJIS-UHFFFAOYSA-N","361608",NA,"PDBC16081","624793","Present"
-"2-Ethyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","2-Ethyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine","","CCC1=CC2=C(C3=C(CCCC3)N=C2S1)NC4=CC=CC=C4","BQOPARLZERGKDO-UHFFFAOYSA-N","365483",NA,"PDBC16082","633116","Present"
-"2-Ethylaminoestradiol","","","","","","","","","","","","","","","","","","","","2-Ethylaminoestradiol","","CCNC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","PVHIGKNDYZNZIH-BKRJIHRRSA-N","384235",NA,"PDBC16083","673652","Present"
-"2-Ethyloxy-3-[(4-acetylphenylamino)-methylene]-chroman-4-one","","","","","","","","","","","","","","","","","","","","2-ethyloxy-3-[(4-acetylphenylamino)-methylene]-chroman-4...","","CCOC1C(=CNC2=CC=C(C=C2)C(=O)C)C(=O)C3=CC=CC=C3O1","PNUKRFQQTRQSFG-ATVHPVEESA-N","6106159",NA,"PDBC16084","732267","Present"
-"2-Ethylsulfanylnaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","GNF-Pf-2144","","CCSC1=CC(=O)C2=CC=CC=C2C1=O","JTIVMHQHPSUHGV-UHFFFAOYSA-N","241362",NA,"PDBC16085","48648","Present"
-"2-Ethylthioestradiol","","","","","","","","","","","","","","","","","","","","2-Ethylthioestradiol","","CCSC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","OBPZKZMDIDKGHG-BKRJIHRRSA-N","384791",NA,"PDBC16086","675243","Present"
-"2-Ethynyl-5-[4-[4-(2-ethynyl-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl)phenoxy]phenyl]-4,6,7-triphenyl-isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","6,6'-(4,4'-oxybis(4,1-phenylene))bis(2-ethynyl-4,5,7-tri...","","C#CN1C(=O)C2=C(C1=O)C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC6=CC=C(C=C6)C7=C(C8=C(C(=C7C9=CC=CC=C9)C1=CC=CC=C1)C(=O)N(C8=O)C#C)C1=CC=CC=C1)C1=CC=CC=C1","KADJURAMSVHGQX-UHFFFAOYSA-N","16129767",NA,"PDBC16087","633252","Present"
-"2-Ethynyl-5-methoxybenzo-1,4-quinone","","","","","","","","","","","","","","","","","","","","YNS772IK61","","COC1=CC(=O)C(=CC1=O)C#C","ISBDNZMXGHATOW-UHFFFAOYSA-N","342085",NA,"PDBC16088","377174","Present"
-"2-Ferrocenyl-1-(4-hydroxyphenyl)-1-(4-dimethylaminopropo...","","","","","","","","","","","","","","","","","","","","2-Ferrocenyl-1-(4-hydroxyphenyl)-1-(4-dimethylaminopropo...","","","","",NA,"PDBC16089","785323","Present"
-"2-Fluoren-9-ylidenemethyl-pyridine","","","","","","","","","","","","","","","","","","","","STK756818","","C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=CC=N4","WKMNILFJGKLWSI-UHFFFAOYSA-N","256447",NA,"PDBC16090","83321","Present"
-"2-Fluoro-2,2-dinitroethyl carbonate(2:1)","","","","","","","","","","","","","","","","","","","","C5H4F2N4O11","","C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F","BPMXMXFLNKOZJI-UHFFFAOYSA-N","88647",NA,"PDBC16091","312449","Present"
-"2-Fluoro-3,4-dimethyl-2,5-diphenyl-1-oxa-3-aza-2-boranuidacyclopentane","","","","","","","","","","","","","","","","","","","","2-Fluoro-3,4-dimethyl-2,5-diphenyl-1-oxa-3-aza-2-boranuidacyclopentane","","","","",NA,"PDBC16092","656973","Present"
-"2-Fluoro-4-(5-phenylthiophen-2-yl)benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","NSC774663","","C1=CC=C(C=C1)C2=CC=C(S2)C3=CC(=C(C=C3)C(=N)N)F","NXCMIFBJUTWPEV-UHFFFAOYSA-N","137657684",NA,"PDBC16093","774663","Present"
-"2-Fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","NSC772438","","C1=CSC(=C1)C2=CC=C(S2)C3=CC(=C(C=C3)C(=N)N)F","PCGUXRGVXOFWND-UHFFFAOYSA-N","137643056",NA,"PDBC16094","772438","Present"
-"2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate","","","","","","","","","","","","","","","","","","","","2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate","","C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)S(=O)(=O)F)F)Cl","DPOWUNNQCFYECG-UHFFFAOYSA-N","305659",NA,"PDBC16095","202695","Present"
-"2-Fluoro-8-benzyloxy-7-metoxy1,3,11a tetrahydro pyrrolo[2,1-c][1,4]benzodiazepin-5-one","","","","","","","","","","","","","","","","","","","","2-Fluoro-8-benzyloxy-7-metoxy1,2,3,11a tetrahydro pyrrol...","","COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)F)OCC4=CC=CC=C4","IILIWQUYOBHKAQ-CABCVRRESA-N","24203384",NA,"PDBC16096","727725","Present"
-"2-Fluoro-8-hydroxy-7-methoxy-1,3,11a-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-one","","","","","","","","","","","","","","","","","","","","2-Fluoro-8-hydroxy-7-methoxy-1,2,3,11a- tetrahydropyrrol...","","COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)F)O","KJOULUMUODMRMP-SFYZADRCSA-N","24203385",NA,"PDBC16097","727726","Present"
-"2-Fluoro-N-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzamide","","","","","","","","","","","","","","","","","","","","2-Fluoro-N-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzamide","","C1=CC=C(C(=C1)C(=O)NC2=C(NC(=S)NC2=O)O)F","LJOBJFLOHLPMEN-UHFFFAOYSA-N","3783038",NA,"PDBC16098","645846","Present"
-"2-Fluorooctadec-9-ynoic acid","","","","","","","","","","","","","","","","","","","","2-Fluorooctadec-9-ynoic acid","","CCCCCCCCC#CCCCCCCC(C(=O)O)F","VAELZRLESYJUQL-UHFFFAOYSA-N","389034",NA,"PDBC16099","684580","Present"
-"2-Fluorotetradec-11-ynoic acid","","","","","","","","","","","","","","","","","","","","2-Fluorotetradec-11-ynoic acid","","CCC#CCCCCCCCCC(C(=O)O)F","VOYDXDPCGKRZSZ-UHFFFAOYSA-N","389035",NA,"PDBC16100","684581","Present"
-"2-Fluorphenylhydrazone alpha-lapachone","","","","","","","","","","","","","","","","","","","","2-fluorphenylhydrazone alpha-lapachone","","CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=CC=C4F)O)C","UJMDOLDWRXRKOO-UHFFFAOYSA-N","405066",NA,"PDBC16101","721945","Present"
-"2-Formamido-3-(1H-imidazol-5-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","N-Formylhistidine","","C1=C(NC=N1)CC(C(=O)O)NC=O","WFQVSLVQIFFQQN-UHFFFAOYSA-N","333452",NA,"PDBC16102","334340","Present"
-"2-Formamido-9-fluorenone","","","","","","","","","","","","","","","","","","","","2-Formamido-9-fluorenone","","C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)NC=O","VERIQMZSHJWSCP-UHFFFAOYSA-N","349152",NA,"PDBC16103","408726","Present"
-"2-Formyl-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Formyl-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C2C(=C1)NC3=C(C(=C(C(=O)N23)C=O)O)C#N","CGJRVXGWMAWIBZ-UHFFFAOYSA-N","135409142",NA,"PDBC16104","659486","Present"
-"2-Formyl-4,17-dihydroxy-17alpha-methyl-4-androsten-3-one","","","","","","","","","","","","","","","","","","","","2-Formyl-4,17-dihydroxy-17.alpha.- methyl-4-androsten-3-one","","CC12CCC3C(C1CCC2(C)O)CCC4=C(C(=O)C(CC34C)C=O)O","LEIGUHHGMIZNEC-DZWPSQHGSA-N","6711427",NA,"PDBC16105","626409","Present"
-"2-Formylnaphtho[2,3-b]furan-4,9-dione","","","","","","","","","","","","","","","","","","","","4H,9H-Naphtho[2,3-b]furan-2-carboxaldehyde, 4,9-dioxo-","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC(=C3)C=O","UADBPJPLVDEBOC-UHFFFAOYSA-N","396286",NA,"PDBC16106","701984","Present"
-"2-Formylphenylboronic acid","","","","","","","","","","","","","","","","","","","","2-formylphenylboronic acid","","B(C1=CC=CC=C1C=O)(O)O","DGUWACLYDSWXRZ-UHFFFAOYSA-N","292189",NA,"PDBC16107","157839","Present"
-"2-Formylpyridine, diethylthiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-formylpyridine, diethylthiosemicarbazone","","CCN(CC)C(=S)NN=CC1=CC=CC=N1","QVEJUAHZDHVQOV-UKTHLTGXSA-N","9554745",NA,"PDBC16108","673833","Present"
-"2-Furaldehyde N-(1-adamantyl)thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Furaldehyde N-(1-adamantyl)thiosemicarbazone","","C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC=CO4","ITGYCJJRFKQABH-LICLKQGHSA-N","9569872",NA,"PDBC16109","622622","Present"
-"2-Furancarboxaldehyde, (5-hydroxy-6-methyl-1,2,4-triazin-3-yl)hydrazone","","","","","","","","","","","","","","","","","","","","2-Furancarboxaldehyde, 5-nitro-, (5-hydroxy-6-methyl- 1,...","","CC1=NN=C(NC1=O)NN=CC2=CC=C(O2)[N+](=O)[O-]","HOLJAJCUZJZLJK-ONNFQVAWSA-N","135455470",NA,"PDBC16110","607568","Present"
-"2-Furancarboxamide, N-[(4-methyl-1-piperazinyl)thioxomethyl]-N-phenyl-","","","","","","","","","","","","","","","","","","","","2-Furancarboxamide, N-[(4-methyl-1-piperazinyl)thioxomethyl]-N-phenyl-","","CN1CCN(CC1)C(=S)N(C2=CC=CC=C2)C(=O)C3=CC=CO3","CEHLJIIQIJKHFN-UHFFFAOYSA-N","376051",NA,"PDBC16111","656450","Present"
-"2-Furancarboxamide, N-methyl-N-[[4-(2-pyridinyl)-1-piperazinyl]thioxomethyl]-","","","","","","","","","","","","","","","","","","","","2-Furancarboxamide, N-methyl-N-[[4-(2-pyridinyl)-1-piperazinyl]thioxomethyl]-","","CN(C(=O)C1=CC=CO1)C(=S)N2CCN(CC2)C3=CC=CC=N3","SDNKPARPWRJSEK-UHFFFAOYSA-N","376063",NA,"PDBC16112","656462","Present"
-"2-Furoyl-6-chloro-3-trifluoromethylquinoxaline-4-oxide","","","","","","","","","","","","","","","","","","","","2-furoyl-6-chloro-3-trifluoromethylquinoxaline-4-oxide","","C1=COC(=C1)C(=O)C2=NC3=C(C=C(C=C3)Cl)[N+](=C2C(F)(F)F)[O-]","MAZLDAHIYJQJJI-UHFFFAOYSA-N","54612698",NA,"PDBC16113","740113","Present"
-"2-Furoyl-7-chloro-3-trifluoromethylquinoxaline-4-oxide","","","","","","","","","","","","","","","","","","","","2-furoyl-7-chloro-3-trifluoromethylquinoxaline-4-oxide","","C1=COC(=C1)C(=O)C2=NC3=C(C=CC(=C3)Cl)[N+](=C2C(F)(F)F)[O-]","HVNVOGUKPMBICO-UHFFFAOYSA-N","54612695",NA,"PDBC16114","740117","Present"
-"2-Furoyl-7-methoxy-3-trifluoromethylquinoxaline 4-oxide","","","","","","","","","","","","","","","","","","","","2-furoyl-7-methoxy-3-trifluoromethylquinoxaline 4-oxide","","COC1=CC2=C(C=C1)[N+](=C(C(=N2)C(=O)C3=CC=CO3)C(F)(F)F)[O-]","UTHUFMUZSKJVTJ-UHFFFAOYSA-N","54612697",NA,"PDBC16115","740116","Present"
-"2-Furyl(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile","","","","","","","","","","","","","","","","","","","","2-Furyl(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile","","CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=CO2","DOORNDGPAREHLQ-UHFFFAOYSA-N","135409028",NA,"PDBC16116","653837","Present"
-"2-Furyl(3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)methanone","","","","","","","","","","","","","","","","","","","","2-Furyl(3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)methanone","","C1C(NN=C1C2=C(C3=CC=CC=C3C=C2)O)C(=O)C4=CC=CO4","IDVNROMRLWPYQD-UHFFFAOYSA-N","390443",NA,"PDBC16117","687797","Present"
-"2-Furyl(3-(2-hydroxy-1-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)methanone","","","","","","","","","","","","","","","","","","","","2-Furyl(3-(2-hydroxy-1-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)methanone","","C1C(NN=C1C2=C(C=CC3=CC=CC=C32)O)C(=O)C4=CC=CO4","CITTZBMKJZEOJE-UHFFFAOYSA-N","390435",NA,"PDBC16118","687789","Present"
-"2-Furylidene-1,3-indanedione","","","","","","","","","","","","","","","","","","","","2-Furylidene-1,3-indanedione","","C1CCC2C(C1)C(=O)C(=CC3=CC=CO3)C2=O","IVEWSCQJZRUAHP-UHFFFAOYSA-N","378253",NA,"PDBC16119","660146","Present"
-"2-Heptadecyl-6-(2-methoxyethoxymethoxy)benzoic acid","","","","","","","","","","","","","","","","","","","","2-Heptadecyl-6-(2-methoxyethoxymethoxy)benzoic acid","","CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCOCCOC)C(=O)O","JKQZMBTXYNWJGQ-UHFFFAOYSA-N","391580",NA,"PDBC16120","691035","Present"
-"2-Hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindole","","","","","","","","","","","","","","","","","","","","2-Hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindole","","CCCCCCCCCCCCCCCCN1CC2CCCCC2C1.Cl","PQZTYLAUUUKTOE-UHFFFAOYSA-N","54609620",NA,"PDBC16121","55236","Present"
-"2-Hexadecyl-6-methoxycyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-Hexadecyl-6-methoxycyclohexa-2,5-diene-1,4-dione","","CCCCCCCCCCCCCCCCC1=CC(=O)C=C(C1=O)OC","MDYDMMGYPKQVFN-UHFFFAOYSA-N","356666",NA,"PDBC16122","613470","Present"
-"2-Hexanone thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Hexanone thiosemicarbazone","","CCCCC(=NNC(=S)N)C","XXTYEHAVDCMHGU-RMKNXTFCSA-N","9569943",NA,"PDBC16123","627222","Present"
-"2-Hexyn-1-ol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-","","","","","","","","","","","","","","","","","","","","2-Hexyn-1-ol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-","","CC(C)(C)[Si](C)(C)OCCCC#CCO","OJYMJJDYXKQEIG-UHFFFAOYSA-N","359271",NA,"PDBC16124","619987","Present"
-"2-Hydrazino-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","Enamine_001604","","C1=CC=C2C(=C1)N=C(O2)NN","QITJGSMHKVXOFR-UHFFFAOYSA-N","303862",NA,"PDBC16125","193633","Present"
-"2-Hydrazino-2-oxo-N-(2-pyrimidinyl)ethanesulfonamide","","","","","","","","","","","","","","","","","","","","Compound 329379","","C1=CN=C(N=C1)NS(=O)(=O)CC(=O)NN","JWKQWTGJNPBXBN-UHFFFAOYSA-N","332522",NA,"PDBC16126","329379","Present"
-"2-Hydrazinobenzothiazole","","","","","","","","","","","","","","","","","","","","Benzothiazolohydrazine","","C1=CC=C2C(=C1)N=C(S2)NN","JYSUYJCLUODSLN-UHFFFAOYSA-N","11988",NA,"PDBC16127","3271","Present"
-"2-Hydrazinyl-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Hydrazinyl-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile","","CN1C(=O)C(=C(N=C1NN)C2=CC=C(C=C2)[N+](=O)[O-])C#N","HJHPZHGAAVMODS-UHFFFAOYSA-N","5472885",NA,"PDBC16128","722272","Present"
-"2-Hydrazinyl-6-[(E)-2-phenylethenyl]cyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-Hydrazinyl-6-[(E)-2-phenylethenyl]cyclohepta-2,4,6-trien-1-one","","C1=CC=C(C=C1)C=CC2=CC(=O)C(=CC=C2)NN","SUNOPNYHLKRKHR-MDZDMXLPSA-N","6267649",NA,"PDBC16129","101003","Present"
-"2-Hydrazinyl-N-[(Z)-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-Hydrazinyl-N-[(Z)-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]-2-oxoacetamide","","COC1=CC=C(C=C1)C(C(=NNC(=O)C(=O)NN)C2=CC=C(C=C2)OC)C3(C4=CC=CC=C4NC3=O)O","DFAJOONFMDUHTE-JBASAIQMSA-N","6163570",NA,"PDBC16130","618452","Present"
-"2-Hydroxy discorhabdin D","","","","","","","","","","","","","","","","","","","","2-Hydroxy discorhabdin D","","C1C[N+]2=C3C4=C1C=NC4=C(C5=C3C67CC(N5)SC6=CC(=O)C2(C7)O)O.[Cl-]","VVCRENDCBPKIRI-NBMOHRBMSA-N","362391",NA,"PDBC16131","626161","Present"
-"2-Hydroxy-1,2,2-tri(1H-indol-2-yl)ethanone","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1,2,2-tri(1H-indol-2-yl)ethanone","","C1=CC=C2C(=C1)C=C(N2)C(=O)C(C3=CC4=CC=CC=C4N3)(C5=CC6=CC=CC=C6N5)O","PZTUXCCLBIOISZ-UHFFFAOYSA-N","372681",NA,"PDBC16132","648214","Present"
-"2-Hydroxy-1,2-diphenylethanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1,2-diphenylethanesulfonic acid","","C1=CC=C(C=C1)C(C(C2=CC=CC=C2)S(=O)(=O)O)O","ZUZCEPDMQCVPET-UHFFFAOYSA-N","242034",NA,"PDBC16133","50145","Present"
-"2-Hydroxy-1,5,7-trimethyl-N-(2-naphthyl)-4-oxo-3-azabicyclo[3.3.1]nonane-7-carboxamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1,5,7-trimethyl-N-(2-naphthyl)-4-oxo-3-azabicyclo[3.3.1]nonane-7-carboxamide","","CC12CC(CC(C1)(C)C(=O)NC3=CC4=CC=CC=C4C=C3)(C(=O)NC2O)C","QVECYZNLDSHKCT-UHFFFAOYSA-N","361784",NA,"PDBC16134","625051","Present"
-"2-Hydroxy-1-(3-hydroxy-2-quinoxalinyl)-2-phenylethanone","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1-(3-hydroxy-2-quinoxalinyl)-2-phenylethanone","","C1=CC=C(C=C1)C(C(=O)C2=NC3=CC=CC=C3NC2=O)O","WGYSUDMEMARFEQ-UHFFFAOYSA-N","369642",NA,"PDBC16135","641597","Present"
-"2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethanone hydroxyhydrazone","","","","","","","","","","","","","","","","","","","","N-[(1Z)-2-Hydroxy-1-(6-nitro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-(4-nitrophenyl)ethyl]nitrous amide","","C1=CC(=CC=C1C(C(=C2C(=O)NC3=C(N2)C=CC(=C3)[N+](=O)[O-])NN=O)O)[N+](=O)[O-]","GWWDNFDZQQPVBR-YPKPFQOOSA-N","5465182",NA,"PDBC16136","641814","Present"
-"2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","3-[Hydroxy(4-hydroxy-3-methoxyphenyl)acetyl]-7-nitroquinoxalin-2(1H)-one","","COC1=C(C=CC(=C1)C(C(=O)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)O","ABDBCTPFDMLPIC-UHFFFAOYSA-N","369644",NA,"PDBC16137","641599","Present"
-"2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(p-tolyl)ethanone hydrazone","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(p-tolyl)ethanone hydrazone","","CC1=CC=C(C=C1)C(C(=NN)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O","BHJGXHBRCHDZJQ-KGENOOAVSA-N","135499264",NA,"PDBC16138","647582","Present"
-"2-Hydroxy-1-morpholin-4-ylmethyl-5-p-tolyl-11,6]cyclohepta[1,2-b]indol-6-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1-morpholin-4-ylmethyl-5-p-tolyl-11,12-dihydro...","","CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN6CCOCC6","RDDIETKPKJIJDX-UHFFFAOYSA-N","24205419",NA,"PDBC16139","735469","Present"
-"2-Hydroxy-1-naphthaldehyde (5-nitro-2-pyridyl)hydrazone","","","","","","","","","","","","","","","","","","","","LS-94160","","C1=CC=C2C(=C1)C=CC(=C2C=NNC3=NC=C(C=C3)[N+](=O)[O-])O","HGHRJXYLWZISLR-VCHYOVAHSA-N","135408599",NA,"PDBC16140","52426","Present"
-"2-Hydroxy-1-naphthaldehyde oxime","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1-naphthaldehyde oxime","","C1=CC=C2C(=C1)C=CC(=C2C=NO)O","VPTYRUGUZUYAGZ-GHXNOFRVSA-N","135441727",NA,"PDBC16141","402344","Present"
-"2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone","","C1=CC=C2C(=C1)C=CC(=C2C=NNC(=O)C3=CC=NC=C3)O","WQSHHAVECQJKLX-ODLFYWEKSA-N","135408575",NA,"PDBC16142","51355","Present"
-"2-Hydroxy-1-phenylethanesulfonic acid;phenylmethanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1-phenylethanesulfonic acid;phenylmethanesulfonic acid","","C1=CC=C(C=C1)CS(=O)(=O)O.C1=CC=C(C=C1)C(CO)S(=O)(=O)O","SPWMGCSQEXNHTK-UHFFFAOYSA-N","413606",NA,"PDBC16143","50137","Present"
-"2-Hydroxy-1-piperidin-1-ylmethyl-5-p-tolyl-11,6]cyclohepta[1,2-b]indol-6-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1-piperidin-1-ylmethyl-5-p-tolyl-11,12-dihydro...","","CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN6CCCCC6","HWAXMFSRLXMUMM-UHFFFAOYSA-N","24205417",NA,"PDBC16144","735467","Present"
-"2-Hydroxy-17beta-estradiol triacetate","","","","","","","","","","","","","","","","","","","","2,3,17.beta.-Triacetyloxyestra-1,3,5(10)-triene","","CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)C","STVSYWGMQNUXIG-JFDOVZFRSA-N","387661",NA,"PDBC16145","681682","Present"
-"2-Hydroxy-2,2-bis(4-phenylphenyl)acetic acid","","","","","","","","","","","","","","","","","","","","Di[1,1'-biphenyl]-4-yl(hydroxy)acetic acid","","C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)(C(=O)O)O","ZAINQWJQOUCQDK-UHFFFAOYSA-N","231631",NA,"PDBC16146","28086","Present"
-"2-Hydroxy-2,3-dihydro-1H,9H-pyrazolo[1,2-a]indazol-9-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one","","C1C(CN2N1C3=CC=CC=C3C2=O)O","KEWOROKNYKKUFU-UHFFFAOYSA-N","363510",NA,"PDBC16147","628442","Present"
-"2-Hydroxy-2,3-dimethylbutanedioic acid","","","","","","","","","","","","","","","","","","","","LMFA01050470","","CC(C(=O)O)C(C)(C(=O)O)O","WTIIULQJLZEHGZ-UHFFFAOYSA-N","392323",NA,"PDBC16148","692599","Present"
-"2-Hydroxy-2,6,6-trimethyl-norpinan-3-one oxime","","","","","","","","","","","","","","","","","","","","C-Type Natriuretic Peptide (1-53) (human)","","CC1(C2CC1C(C(=NO)C2)(C)O)C","MFPCIFGOPFVBDU-DHZHZOJOSA-N","9571413",NA,"PDBC16149","656399","Present"
-"2-Hydroxy-2-(1-methoxy-1-methylethyl)-5-methylcyclohexanone","","","","","","","","","","","","","","","","","","","","2-Hydroxy-2-(1-methoxy-1-methylethyl)-5-methylcyclohexanone","","CC1CCC(C(=O)C1)(C(C)(C)OC)O","BHLUHWXCQDNTHP-UHFFFAOYSA-N","377299",NA,"PDBC16150","658701","Present"
-"2-Hydroxy-2-(13-methyl-3-oxo-2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yloxy)-1H-indene-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-hydroxy-2-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,...","","CC12CCC3C(C1CCC2OC4(C(=O)C5=CC=CC=C5C4=O)O)CCC6=CC(=O)CCC36","PSDYWXVFQWCFEU-HGGWUUEHSA-N","54609725",NA,"PDBC16151","72254","Present"
-"2-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(6-nitroquinoxalin-2-yl)ethanone","","","","","","","","","","","","","","","","","","","","2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(6-nitroquinoxalin-2-yl)ethanone","","COC1=C(C=CC(=C1)C(C(=O)C2=CN=C3C=C(C=CC3=N2)[N+](=O)[O-])O)O","SVZARLQVPMDYQQ-UHFFFAOYSA-N","372013",NA,"PDBC16152","646829","Present"
-"2-Hydroxy-2-isopropyl-3-pentynoic acid 3-quinuclidinyl ester","","","","","","","","","","","","","","","","","","","","LS-102307","","CC#CC(C(C)C)(C(=O)OC1CN2CCC1CC2)O","PIQGPSJRLJWWML-UHFFFAOYSA-N","380281",NA,"PDBC16153","665761","Present"
-"2-Hydroxy-3-((8-hydroxy-7-quinolinyl)(4-methoxyphenyl)methyl)-6-isopropyl-2,4,6-cycloheptatrien-1-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-3-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one","","CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C4=C(C=CC=N4)C=C3)O)O","FEMXFSMHWCFXMA-UHFFFAOYSA-N","361375",NA,"PDBC16154","624401","Present"
-"2-Hydroxy-3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-octanenitrile","","","","","","","","","","","","","","","","","","","","2-Hydroxy-3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-octanenitrile","","CCCCCC(C(C#N)O)C(C(F)(F)F)(C(F)(F)F)O","XPNRJHDSUWETBF-UHFFFAOYSA-N","293389",NA,"PDBC16155","159951","Present"
-"2-Hydroxy-3-(4-isopropylphenyl)maleic acid","","","","","","","","","","","","","","","","","","","","2-hydroxy-3-(4-isopropylphenyl)maleic acid","","CC(C)C1=CC=C(C=C1)C(=C(C(=O)O)O)C(=O)O","WMOQTICHUCHXHX-ZHACJKMWSA-N","54677781",NA,"PDBC16156","85176","Present"
-"2-Hydroxy-3-(4-methylsulfanylphenyl)cyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-hydroxy-7-(4-(methylthio)phenyl)cyclohepta-2,4,6-trien...","","CSC1=CC=C(C=C1)C2=C(C(=O)C=CC=C2)O","UMSXBYISMXZWMB-UHFFFAOYSA-N","155812109",NA,"PDBC16157","794224","Present"
-"2-Hydroxy-3-(octyloxy)propyl octanoate","","","","","","","","","","","","","","","","","","","","(2-hydroxy-3-octoxy-propyl) octanoate","","CCCCCCCCOCC(COC(=O)CCCCCCC)O","AYMGIXDJGRYRBU-UHFFFAOYSA-N","372443",NA,"PDBC16158","647557","Present"
-"2-Hydroxy-3-[3-(4-chlorophenyl)propenoyl]cyclohepta-2,4,6-triene-1-one","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 3-(4-chlorophenyl)-1-(1-hydroxy-7-oxo- 1...","","C1=CC(=C(C(=O)C=C1)O)C(=O)C=CC2=CC=C(C=C2)Cl","JQEWCOHNNUNQRQ-JXMROGBWSA-N","5918418",NA,"PDBC16159","356777","Present"
-"2-Hydroxy-3-phenyl-4-quinolinecarboxylic acid","","","","","","","","","","","","","","","","","","","","BRMBNLSSFPEYML-UHFFFAOYSA-N","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)C(=O)O","BRMBNLSSFPEYML-UHFFFAOYSA-N","380410",NA,"PDBC16160","665932","Present"
-"2-Hydroxy-3-phenylpyrimido[1,2-a]benzimidazol-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-3-phenylpyrimido[1,2-a]benzimidazol-4(1H)-one","","C1=CC=C(C=C1)C2=C(N3C4=CC=CC=C4N=C3NC2=O)O","DLXIROQVXDDQKE-UHFFFAOYSA-N","135408929",NA,"PDBC16161","645925","Present"
-"2-Hydroxy-3-pyridin-2-ylpropanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC49848","","C1=CC=NC(=C1)CC(C(=O)O)O.Cl","BUKSODWJMZMMJQ-UHFFFAOYSA-N","54598794",NA,"PDBC16162","49848","Present"
-"2-Hydroxy-4'-aminochalcone","","","","","","","","","","","","","","","","","","","","2-Hydroxy-4'-aminochalcone","","C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)N)O","UEOFDRZQHLTIIF-JXMROGBWSA-N","5387160",NA,"PDBC16163","621369","Present"
-"2-Hydroxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane","","","","","","","","","","","","","","","","","","","","Hydroxo(2,3-dimethylbutane-2,3-diolato)borone(III)","","B1(OC(C(O1)(C)C)(C)C)O","ZZPNDIHOQDQVNU-UHFFFAOYSA-N","368290",NA,"PDBC16164","638835","Present"
-"2-Hydroxy-4,4-dimethyl-6-oxo-N-thiophen-2-ylcyclohexene-1-carboxamide","","","","","","","","","","","","","","","","","","","","2-[Hydroxy(thiophen-2-ylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione","","CC1(CC(=C(C(=O)C1)C(=O)NC2=CC=CS2)O)C","LENYKBVLHFAGSS-UHFFFAOYSA-N","54704006",NA,"PDBC16165","645855","Present"
-"2-Hydroxy-4-(4-methoxyphenyl)-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","NSC678092///NSC678094","","COC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)C3C(C(C(C(O3)CO)O)O)O)C#N","BQXQWXPZIOPCRD-UHFFFAOYSA-N","386318",NA,"PDBC16166","678092///678094","Present"
-"2-Hydroxy-4-({[5-(2-hydroxyphenyl)-2-thioxo-2,3, 4-oxadiazol-3-yl]methyl}amino)benzoic acid","","","","","","","","","","","","","","","","","","","","2-hydroxy-4-({[5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-...","","C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC(=C(C=C3)C(=O)O)O)O","OVJINXMEGSUXQF-UHFFFAOYSA-N","135585523",NA,"PDBC16167","731995","Present"
-"2-Hydroxy-4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-Hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)benzoic acid","","C1=CC(=C(C=C1N=NC2=C(N=C(N=C2N)N)N)O)C(=O)O","UWKYCZZYRPDTJU-UHFFFAOYSA-N","272662",NA,"PDBC16168","117285","Present"
-"2-Hydroxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoic acid","","","","","","","","","","","","","","","","","","","","2-Hydroxy-4-(p-tolylsulfonylcarbamoylamino)benzoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=C(C=C2)C(=O)O)O","BDWHAGWDKYBQAR-UHFFFAOYSA-N","395827",NA,"PDBC16169","700719","Present"
-"2-Hydroxy-4-[(E)-[(4-methoxyphenyl)hydrazono]methyl]-6,6-dimethyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile","","","","","","","","","","","","","","","","","","","","2-Hydroxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-6,6-dimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile","","CC1(C=C(C(=C(C1(C#N)C#N)O)C#N)C=NNC2=CC=C(C=C2)OC)C","RRMAOKSQYNDGON-AUEPDCJTSA-N","6165240",NA,"PDBC16170","672217","Present"
-"2-Hydroxy-4-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","2-Hydroxy-4-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid","","C1=CC=C2C(=C1)C(=O)C(=CNC3=CC(=C(C=C3)C(=O)O)O)C(O2)O","VNIIWSZMMVFLNF-XYOKQWHBSA-N","23245656",NA,"PDBC16171","747803","Present"
-"2-Hydroxy-4-methyl-1-(4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)-2H-pyrrol-5-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-4-methyl-1-(4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)-2H-pyrrol-5-one","","CC1=CC(NC1=O)N2C(C=C(C2=O)C)O","NRRUIDNYDPVJEP-UHFFFAOYSA-N","361710",NA,"PDBC16172","624951","Present"
-"2-Hydroxy-4-methyl-2,4,6-cycloheptatrien-1-one","","","","","","","","","","","","","","","","","","","","4-methyltropolone","","CC1=CC(=O)C(=CC=C1)O","OTXSBWFUHZIFLR-UHFFFAOYSA-N","11424",NA,"PDBC16173","628999","Present"
-"2-Hydroxy-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Hydroxy-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3,5-dicarbonitrile","","CC1=CC=C(C=C1)N2C(=C(C(=C(C2=O)C#N)SC)C#N)O","IFXVUSRMEVFKAE-UHFFFAOYSA-N","392133",NA,"PDBC16174","692013","Present"
-"2-Hydroxy-4-methylsulfanyl-6-sulfanyl-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","MSSAIFDJGUDNBX-UHFFFAOYSA-N","","CSC1=C(C(=O)NC(=C1C#N)S)C#N","MSSAIFDJGUDNBX-UHFFFAOYSA-N","392158",NA,"PDBC16175","692038","Present"
-"2-Hydroxy-4-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","NSC678091///NSC678093","","C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)C3C(C(C(C(O3)CO)O)O)O)C#N","MIGKUGXSGNRSDC-UHFFFAOYSA-N","386317",NA,"PDBC16176","678091///678093","Present"
-"2-Hydroxy-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","STK694145","","C1CCC2=C(C1)C(=C(C(=O)N2)C#N)C#N","JLYGHCBJFDQYBY-UHFFFAOYSA-N","387811",NA,"PDBC16177","681883","Present"
-"2-Hydroxy-5-(4-methoxyphenyl)-11H-benzo[b]carbazol-6-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-(4-methoxyphenyl)-5,11-dihydro-6h-benzo[b]carbazol-6-one","","COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4","RWGKMWMTDQXQHF-UHFFFAOYSA-N","403883",NA,"PDBC16178","719416","Present"
-"2-Hydroxy-5-(4-methoxyphenyl)benzo[b]carbazole-6,11-dione","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-(4-methoxyphenyl)-5h-benzo[b]carbazole-6,11-dione","","COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O","MPGVIOWYTHZIOG-UHFFFAOYSA-N","404490",NA,"PDBC16179","720726","Present"
-"2-Hydroxy-5-(4methoxyphenyl)-1-morpholin-4-ylmethyl-11,6]cyclohepta[1,2-b]indol-6-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-(4methoxyphenyl)-1-morpholin-4-ylmethyl-11,1...","","COC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN6CCOCC6","FXVVXGOZPPELEX-UHFFFAOYSA-N","24205421",NA,"PDBC16180","735471","Present"
-"2-Hydroxy-5-[(2-methoxyphenyl)methyl]benzo[b]carbazole-6,11-dione","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-(2-methoxybenzyl)-5h-benzo[b]carbazole-6,11-dione","","COC1=CC=CC=C1CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O","CLXZRRMUHNTKOH-UHFFFAOYSA-N","403879",NA,"PDBC16181","719412","Present"
-"2-Hydroxy-5-[(3-methylphenyl)methyl]benzo[b]carbazole-6,11-dione","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-(3-methylbenzyl)-5h-benzo[b]carbazole-6,11-dione","","CC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O","DDPOBCPINAPMDG-UHFFFAOYSA-N","403880",NA,"PDBC16182","719413","Present"
-"2-Hydroxy-5-[2-(4-sulfamoyl-phenyl)-vinyl]-benzoic acid methyl ester","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-[2-(4-sulfamoyl-phenyl)-vinyl]-benzoic acid ...","","COC(=O)C1=C(C=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)N)O","ZJVMZHMOCNGMSP-NSCUHMNNSA-N","5472924",NA,"PDBC16183","722843","Present"
-"2-Hydroxy-5-[[(E)-(10-oxidoacridin-10-ium-9-yl)methyleneamino]sulfamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-({(E)-[(10-hydroxyacridin-9(10H)-ylidene)methyl]diazenyl}sulfonyl)benzoic acid","","C1=CC=C2C(=C1)C(=CN=NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)C4=CC=CC=C4N2O","UBADJRMJFHMSCU-UHFFFAOYSA-N","363212",NA,"PDBC16184","627890","Present"
-"2-Hydroxy-5-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid","","C1=CC=C2C(=C1)C(=O)C(=CNC3=CC(=C(C=C3)O)C(=O)O)C(O2)O","VWXJCAGVLFLYIM-XYOKQWHBSA-N","54612711",NA,"PDBC16185","747804","Present"
-"2-Hydroxy-5-methoxy-3-methylbenzoic acid","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-methoxy-3-methylbenzoic acid","","CC1=CC(=CC(=C1O)C(=O)O)OC","MACPYBDBXVLDRB-UHFFFAOYSA-N","362084",NA,"PDBC16186","625607","Present"
-"2-Hydroxy-5-methoxy-4-methyl-2-(3-methyl-2-butenyl)-1-benzofuran-3(2H)-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5-methoxy-4-methyl-2-(3-methyl-2-butenyl)-1-benzofuran-3(2H)-one","","CC1=C(C=CC2=C1C(=O)C(O2)(CC=C(C)C)O)OC","CXNHNPBTNHJXEH-UHFFFAOYSA-N","380489",NA,"PDBC16187","666104","Present"
-"2-Hydroxy-5-methoxybenzaldehyde N-ethylthiosemicarbazone","","","","","","","","","","","","","","","","","","","","ACM189288640","","CCNC(=S)NN=CC1=C(C=CC(=C1)OC)O","YSWOYAQZHSHQOG-NTUHNPAUSA-N","135484933",NA,"PDBC16188","673834","Present"
-"2-Hydroxy-6,6-dimethyl-4-[(E)-(p-tolylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile","","","","","","","","","","","","","","","","","","","","2-Hydroxy-6,6-dimethyl-4-[(E)-(p-tolylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile","","CC1=CC=C(C=C1)NN=CC2=CC(C(C(=C2C#N)O)(C#N)C#N)(C)C","NBQQVPILPPDYOB-AUEPDCJTSA-N","9571495",NA,"PDBC16189","672219","Present"
-"2-Hydroxy-6,6-dimethyl-4-[(E)-(phenylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile","","","","","","","","","","","","","","","","","","","","2-Hydroxy-6,6-dimethyl-4-[(E)-(phenylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile","","CC1(C=C(C(=C(C1(C#N)C#N)O)C#N)C=NNC2=CC=CC=C2)C","SZHPGODRPDNLNR-LSHDLFTRSA-N","9571494",NA,"PDBC16190","672216","Present"
-"2-Hydroxy-6,6-dimethyl-4-[(E)-[(4-nitrophenyl)hydrazono]methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile","","","","","","","","","","","","","","","","","","","","2-Hydroxy-6,6-dimethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile","","CC1(C=C(C(=C(C1(C#N)C#N)O)C#N)C=NNC2=CC=C(C=C2)[N+](=O)[O-])C","VPJVFSVZRQIGQX-LSFURLLWSA-N","5902701",NA,"PDBC16191","669267","Present"
-"2-Hydroxy-6-(3-oxobutyl)-1,6-cycloheptadiene-1-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","2-Hydroxy-6-(3-oxobutyl)-1,6-cycloheptadiene-1-carboxylic acid methyl ester","","CC(=O)CCC1=CC(=C(CCC1)O)C(=O)OC","RXJPJSXRVNADKQ-UHFFFAOYSA-N","54685703",NA,"PDBC16192","706133","Present"
-"2-Hydroxy-6-(4-methoxyphenyl)-4-phenylnicotinonitrile","","","","","","","","","","","","","","","","","","","","2-Hydroxy-6-(4-methoxyphenyl)-4-phenylnicotinonitrile","","COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CC=C3","OOHWREUZDRTCHX-UHFFFAOYSA-N","368863",NA,"PDBC16193","640202","Present"
-"2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid","","","","","","","","","","","","","","","","","","","","Anacardic acid C15:3","","C=CCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O","QUVGEKPNSCFQIR-AOSYACOCSA-N","5388781",NA,"PDBC16194","638512","Present"
-"2-Hydroxy-6-(pentadec-8-en-1-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","Anacardic acid C15:1","","CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O","YXHVCZZLWZYHSA-BQYQJAHWSA-N","5317600",NA,"PDBC16195","638511","Present"
-"2-Hydroxy-6-isopropyl-4-methyl-2,4,6-cycloheptatrien-1-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-6-isopropyl-4-methyl-2,4,6-cycloheptatrien-1-one","","CC1=CC(=O)C(=CC(=C1)C(C)C)O","FFKAAUJVOQNWFJ-UHFFFAOYSA-N","363769",NA,"PDBC16196","628976","Present"
-"2-Hydroxy-6-mercapto-9-phenyl-7,9-dihydro-8H-purin-8-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-6-mercapto-9-phenyl-7,9-dihydro-8H-purin-8-one","","C1=CC=C(C=C1)N2C3=C(C(=S)NC(=O)N3)NC2=O","IHHYSLPKADNHPH-UHFFFAOYSA-N","3246125",NA,"PDBC16197","34486","Present"
-"2-Hydroxy-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Hydroxy-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile","","CC(=NN1C(=C(C=C(C1=O)C#N)C#N)O)C2=CC=NC=C2","BQJWAIZIYVMXEM-GIJQJNRQSA-N","11637697",NA,"PDBC16198","734786","Present"
-"2-Hydroxy-7-methoxy-4-methyl-2,4,6-cycloheptatrien-1-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-7-methoxy-4-methyl-2,4,6-cycloheptatrien-1-one","","CC1=CC(=O)C(=C(C=C1)OC)O","BEJDCFLPAOQEBD-UHFFFAOYSA-N","373102",NA,"PDBC16199","649044","Present"
-"2-Hydroxy-7-methylenebicyclo[3.3.1]nonan-3-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-7-methylenebicyclo[3.3.1]nonan-3-one","","C=C1CC2CC(C1)C(C(=O)C2)O","BOHQHZMOKZGKRF-UHFFFAOYSA-N","395353",NA,"PDBC16200","699835","Present"
-"2-Hydroxy-9-fluorenone","","","","","","","","","","","","","","","","","","","","AK161758","","C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)O","GXUBPHMYNSICJC-UHFFFAOYSA-N","81386",NA,"PDBC16201","22835","Present"
-"2-Hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide","","","","","","","","","","","","","","","","","","","","NSC408200","","C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2O)O","UORSDGBOJHYJLV-UHFFFAOYSA-N","65303",NA,"PDBC16202","408200","Present"
-"2-Hydroxy-N'-(2-hydroxybenzyl)benzohydrazide","","","","","","","","","","","","","","","","","","","","STK951933","","C1=CC=C(C(=C1)CNNC(=O)C2=CC=CC=C2O)O","SJSJXRMQLWUZCN-UHFFFAOYSA-N","392123",NA,"PDBC16203","691998","Present"
-"2-Hydroxy-N'-(4-hydroxybenzoyl)benzohydrazide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N'-(4-hydroxybenzoyl)benzohydrazide","","C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)O)O","QCTBKJBBXFITKX-UHFFFAOYSA-N","393331",NA,"PDBC16204","695039","Present"
-"2-Hydroxy-N,N-bis(2-hydroxyethyl)-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N,N-bis(2-hydroxyethyl)-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide","","C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)S(=O)(=O)N(CCO)CCO)O","RYSSXUJNLOUNMH-UHFFFAOYSA-N","403172",NA,"PDBC16205","717825","Present"
-"2-Hydroxy-N,N-di(propan-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N,N-di(propan-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide","","CC(C)N(C(C)C)C(=O)C1(C2=CC=CC=C2C=CC3=CC=CC=C31)O","CAKQVWVCJKDREQ-UHFFFAOYSA-N","398109",NA,"PDBC16206","707474","Present"
-"2-Hydroxy-N-(2-hydroxy-3-phenoxypropyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-(2-hydroxy-3-phenoxypropyl)benzamide","","C1=CC=C(C=C1)OCC(CNC(=O)C2=CC=CC=C2O)O","DXJZBNOTDMNBFA-UHFFFAOYSA-N","391008",NA,"PDBC16207","689415","Present"
-"2-Hydroxy-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide","","CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3O","DZXCFUOFQVKHJT-UHFFFAOYSA-N","376423",NA,"PDBC16208","657337","Present"
-"2-Hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide","","","","","","","","","","","","","","","","","","","","2'-salicylotoluidide, 3,5'-dinitro-","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","QLVVQRCTAOWEFK-UHFFFAOYSA-N","45952",NA,"PDBC16209","79451","Present"
-"2-Hydroxy-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)-2-phenylacetamide","","C1CCC2(C1)N(C(=O)CS2)NC(=O)C(C3=CC=CC=C3)O","TYAGUBLQYTXWCF-UHFFFAOYSA-N","24205441",NA,"PDBC16210","735535","Present"
-"2-Hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide","","","","","","","","","","","","","","","","","","","","2',3-Dinitro-p-salicylotoluidide","","CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)[N+](=O)[O-]","ILZBTXJTJLPKLA-UHFFFAOYSA-N","255922",NA,"PDBC16211","82025","Present"
-"2-Hydroxy-N-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-2-phenylacetamide","","CC1C(=O)N(C(S1)C2=CC=CS2)NC(=O)C(C3=CC=CC=C3)O","QLNIZHXFTZPWKD-UHFFFAOYSA-N","24205437",NA,"PDBC16212","735531","Present"
-"2-Hydroxy-N-[(E)-1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)ethylideneamino]benzamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-[(E)-1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)ethylideneamino]benzamide","","CC1=C([N+](=C2C=C(C=CC2=[N+]1[O-])OC)[O-])C(=NNC(=O)C3=CC=CC=C3O)C","RCPHSWPYBOFZEQ-RGVLZGJSSA-N","135483917",NA,"PDBC16213","634662","Present"
-"2-Hydroxy-N-[(E)-1-[6-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]benzamide;iron(2+);sulfate","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-[(E)-1-[6-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]benzamide;iron(2+);sulfate","","CC(=NNC(=O)C1=CC=CC=C1O)C2=NC(=CC=C2)C(=NNC(=O)C3=CC=CC=C3O)C.[O-]S(=O)(=O)[O-].[Fe+2]","VJJGJNGQCJLNKU-UMYJKDMASA-L","24202007",NA,"PDBC16214","617568","Present"
-"2-Hydroxy-N-[(E)-3-oxobutan-2-ylideneamino]benzamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-[(E)-3-oxobutan-2-ylideneamino]benzamide","","CC(=NNC(=O)C1=CC=CC=C1O)C(=O)C","ZCRMVSLYFOEUHX-KPKJPENVSA-N","5351367",NA,"PDBC16215","635441","Present"
-"2-Hydroxy-N-[(Z)-[4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxo-1-(2-propan-2-ylanilino)butan-2-ylidene]amino]benzamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-[(Z)-[4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxo-1-(2-propan-2-ylanilino)butan-2-ylidene]amino]benzamide","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NNC(=O)C3=CC=CC=C3O)C(=O)NC4=CC=CC=C4C(C)C","BHNKDQSVLUEXQV-VAMRJTSQSA-N","6285462",NA,"PDBC16216","635541","Present"
-"2-Hydroxy-N-[2-(3-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-[2-(3-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide","","CC1C(=O)N(C(S1)C2=CC(=CC=C2)OC)NC(=O)C(C3=CC=CC=C3)O","BYZFBJHWOHMEAB-UHFFFAOYSA-N","24205436",NA,"PDBC16217","735530","Present"
-"2-Hydroxy-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide","","COC1=CC=C(C=C1)C2N(C(=O)CS2)NC(=O)C(C3=CC=CC=C3)O","NCCORISISGFVEM-UHFFFAOYSA-N","24205497",NA,"PDBC16218","736051","Present"
-"2-Hydroxy-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide","","CC1C(=O)N(C(S1)C2=CC=C(C=C2)OC)NC(=O)C(C3=CC=CC=C3)O","OIEKCZFONQBONH-UHFFFAOYSA-N","24205500",NA,"PDBC16219","736054","Present"
-"2-Hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide","","","","","","","","","","","","","","","","","","","","2-Hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide","","CNS(=O)(=O)C1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O","IXJRAMGISJGVKL-UHFFFAOYSA-N","403169",NA,"PDBC16220","717822","Present"
-"2-Hydroxy-n-(4-iodophenyl)-5-nitrobenzamide","","","","","","","","","","","","","","","","","","","","NSC27103","","C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)I","UNPVQOIEQQBGHB-UHFFFAOYSA-N","95282",NA,"PDBC16221","27103","Present"
-"2-Hydroxyamino-2-methyl-1-phenyl-propan-1-one oxime","","","","","","","","","","","","","","","","","","","","NSC661468","","CC(C)(C(=NO)C1=CC=CC=C1)NO","FLVMMVWWXZODIT-LUAWRHEFSA-N","5392395",NA,"PDBC16222","661468","Present"
-"2-Hydroxyamino-2-methylpropan-1-al oxime","","","","","","","","","","","","","","","","","","","","NSC661463","","CC(C)(C=NO)NO","XPILJIJVKYOKOE-HYXAFXHYSA-N","5702833",NA,"PDBC16223","661463","Present"
-"2-Hydroxybenzaldehyde (5-ethyl-4-(2-hydroxybenzylidene)-4H-imidazol-2-yl)hydrazone","","","","","","","","","","","","","","","","","","","","2-Hydroxybenzaldehyde (5-ethyl-4-(2-hydroxybenzylidene)-4H-imidazol-2-yl)hydrazone","","CCC1=NC(=NC1=CC2=CC=CC=C2O)NN=CC3=CC=CC=C3O","WUELVZCJQURQGP-ULQIOQDBSA-N","135484733",NA,"PDBC16224","697678","Present"
-"2-Hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;2-oxoniobenzoate","","","","","","","","","","","","","","","","","","","","BIS(SALICYLATO)MANGANESE COMPOUND WITH SALICYLIC ACID AN...///NSC72939","","CN1CCCC1C2=CN=CC=C2.C1=CC=C(C(=C1)C(=O)[O-])[OH2+].C1=CC=C(C(=C1)C(=O)[O-])[OH2+].C1=CC=C(C(=C1)C(=O)O)O.[Mn+2]","QWRJNWCHYPGFDW-UHFFFAOYSA-N","54605162",NA,"PDBC16225","3385///72939","Present"
-"2-Hydroxychalcone","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 3-(2-hydroxyphenyl)-1-phenyl- (9CI)","","C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2O","UDOOPSJCRMKSGL-ZHACJKMWSA-N","5367146",NA,"PDBC16226","37432","Present"
-"2-Hydroxyestradiol","","","","","","","","","","","","","","","","","","","","2-oh-e2","","CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)O)O","DILDHNKDVHLEQB-XSSYPUMDSA-N","247304",NA,"PDBC16227","61711","Present"
-"2-Hydroxyethyl 2-heptadecyl-4,5-dihydroimidazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","2-Hydroxyethyl 2-heptadecyl-4,5-dihydro-1h-imidazole-1-carboxylate","","CCCCCCCCCCCCCCCCCC1=NCCN1C(=O)OCCO","OMZAMCAGPDORCB-UHFFFAOYSA-N","236448",NA,"PDBC16228","38972","Present"
-"2-Hydroxyethyl 5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate","","","","","","","","","","","","","","","","","","","",".beta.-L-Ribofuranuronic acid, 1-(6-amino-9H-purin-9-yl)...","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)C(=O)OCCO)O)O)N","ZSWSWPYKBOZWGV-UHFFFAOYSA-N","318120",NA,"PDBC16229","252571","Present"
-"2-Hydroxyethyl Diethylcarbamo(dithioperoxo)thioate","","","","","","","","","","","","","","","","","","","","2-hydroxyethyl diethylcarbamo(dithioperoxo)thioate","","CCN(CC)C(=S)SSCCO","QKJKMJPGOUUWOR-UHFFFAOYSA-N","46700806",NA,"PDBC16230","749793","Present"
-"2-Hydroxyethyl-[(2R)-2-hydroxyheptadecyl]-dimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","NSC688028","","CCCCCCCCCCCCCCCC(C[N+](C)(C)CCO)O.[I-]","RESAZCYZHZRIHJ-ZMBIFBSDSA-M","390541",NA,"PDBC16231","688028","Present"
-"2-Hydroxyethylthio-3-methylnaphthoquinone","","","","","","","","","","","","","","","","","","","","2-Hydroxyethylthio-3-methylnaphthoquinone","","CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCO","MZIOEPIEDDJOPP-UHFFFAOYSA-N","2876",NA,"PDBC16232","672121","Present"
-"2-Hydroxymethyl-6-methoxytetrahydropyran-3-ol","","","","","","","","","","","","","","","","","","","","QKPYWZWSPJBKAW-UHFFFAOYSA-N","","COC1CCC(C(O1)CO)O","QKPYWZWSPJBKAW-UHFFFAOYSA-N","360938",NA,"PDBC16233","623651","Present"
-"2-Hydroxymethylene-4-androstene-4,17beta-diol","","","","","","","","","","","","","","","","","","","","2-Hydroxymethylene-4-androstene-4,17.beta.-diol","","CC12CCC3C(C1CCC2O)CCC4=C(C(=O)C(=CO)CC34C)O","VLJKLQIESFQWKT-BPMJDANNSA-N","5388050",NA,"PDBC16234","631060","Present"
-"2-Hydroxynaphthalene-1-carbaldehyde (2-pyridyl)hydrazone","","","","","","","","","","","","","","","","","","","","2-Hydroxynaphthalene-1-carbaldehyde (2-pyridyl)hydrazone","","C1=CC=C2C(=C1)C=CC(=C2C=NNC3=CC=CC=N3)O","SJAJMGQSQCLFSP-WQRHYEAKSA-N","135400277",NA,"PDBC16235","98573","Present"
-"2-Hydroxypropane-1,2,3-tricarboxylic acid--4-[(E)-[4-(dibutylamino)phenyl]{[5-(diethylamino)pentan-2-yl]imino}methyl]-N,N-dimethylaniline (1/1)","","","","","","","","","","","","","","","","","","","","1,4-Pentanediamine, N4-[(p-dibutylaminophenyl)(p-dimethy...","","CCCCN(CCCC)C1=CC=C(C=C1)C(=NC(C)CCCN(CC)CC)C2=CC=C(C=C2)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","UGIBEGDFEMNMSN-UHFFFAOYSA-N","54609404",NA,"PDBC16236","30084","Present"
-"2-Hydroxytetradecanoic acid","","","","","","","","","","","","","","","","","","","",".alpha.-Hydroxymyristic acid","","CCCCCCCCCCCCC(C(=O)O)O","JYZJYKOZGGEXSX-UHFFFAOYSA-N","1563",NA,"PDBC16237","18938","Present"
-"2-Imidazo[1,2-a]pyridin-2-ylethyl carbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC652564","","C1=CC2=NC(=CN2C=C1)CCSC(=N)N.Cl","BVLGSHDEHCDZNJ-UHFFFAOYSA-N","374593",NA,"PDBC16238","652564","Present"
-"2-Imidazo[2,1-b][1,3]thiazol-6-yl-5-(methylthio)phenol","","","","","","","","","","","","","","","","","","","","2-Imidazo[2,1-b][1,3]thiazol-6-yl-5-(methylthio)phenol","","CSC1=CC(=C(C=C1)C2=CN3C=CSC3=N2)O","VJWLTFNGUIFFOD-UHFFFAOYSA-N","369512",NA,"PDBC16239","641292","Present"
-"2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol","","C1=CC(=C(C=C1O)C2=CN3C=CSC3=N2)O","RNSZNZFGNZQNSJ-UHFFFAOYSA-N","10775929",NA,"PDBC16240","732205","Present"
-"2-Imidazolidinethione, 1,3-bis(pentafluorobenzoyl)-","","","","","","","","","","","","","","","","","","","","2-Imidazolidinethione, 1,3-bis(pentafluorobenzoyl)-","","C1CN(C(=S)N1C(=O)C2=C(C(=C(C(=C2F)F)F)F)F)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F","KHZPQUJFLVDQDB-UHFFFAOYSA-N","383506",NA,"PDBC16241","671891","Present"
-"2-Imidazolidinethione, hydrobromide","","","","","","","","","","","","","","","","","","","","2-IMIDAZOLIDINETHIONE, HYDROBROMIDE","","C1CNC(=S)N1.Br","BADBZEULTRZERS-UHFFFAOYSA-N","24180854",NA,"PDBC16242","1938","Present"
-"2-Imidazolidinone, 1-benzoyl-3-phenyl-4,5-bis(phenylimino)-, (4Z,5Z)-","","","","","","","","","","","","","","","","","","","","(4z,5e)-1-Benzoyl-3-phenyl-4,5-bis(phenylimino)imidazolidin-2-one","","C1=CC=C(C=C1)C(=O)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=O)C5=CC=CC=C5","HXWMFCLWDJULMR-UHFFFAOYSA-N","383263",NA,"PDBC16243","671377","Present"
-"2-Imidazolidinone,5-dihydro-1H-imidazol-2-yl)-3-methyl-1H-pyrazol-4-yl]ethylidene]hydrazone, dihydrobromide","","","","","","","","","","","","","","","","","","","","2-Imidazolidinone, [1-[1-(4,5-dihydro-1H-imidazol-2-yl)-...","","CC1=NN(C=C1C(=NNC2=NCCN2)C)C3=NCCN3.Br","AYRLSVAWEZWFLT-XIDBHWPPSA-N","5459056",NA,"PDBC16244","607796","Present"
-"2-Imidazoline, 4,4-dimethyl-1-isopropyl-2-undecyl-","","","","","","","","","","","","","","","","","","","","WLN: T5N CN AUTJ B11 CY1&1 E1 E1","","CCCCCCCCCCCC1=NC(CN1C(C)C)(C)C","WWLAQXMQQFPUOQ-UHFFFAOYSA-N","52888",NA,"PDBC16245","17742","Present"
-"2-Imino-1,3-diphenyl-5-phenyliminoimidazolidine-4-thione","","","","","","","","","","","","","","","","","","","","4-Imidazolidinethione, 2-imino-1,3-diphenyl-5-(phenylimi...","","C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2C3=CC=CC=C3)C4=CC=CC=C4","SOLNIHCIAWZQOF-UHFFFAOYSA-N","383285",NA,"PDBC16246","671399","Present"
-"2-Imino-3,6-dimethyl-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-Imino-3,6-dimethyl-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one","","CN1CC2=C(NC1)N=C(N(C2=O)C)N","BTGZESBZHDCBAR-UHFFFAOYSA-N","378985",NA,"PDBC16247","662577","Present"
-"2-Imino-3a,5-bis((trityloxy)methyl)hexahydrofuro[2,3-d][1,3]oxazol-6-ol","","","","","","","","","","","","","","","","","","","","2-Imino-3a,5-bis((trityloxy)methyl)hexahydrofuro[2,3-d][1,3]oxazol-6-ol","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C5C(O4)(N=C(O5)N)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O","AAMIHYIREHJGBF-UHFFFAOYSA-N","387255",NA,"PDBC16248","680836","Present"
-"2-Imino-4,6,7-trimethyl-chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Imino-4,6,7-trimethyl-chromene-3-carbonitrile","","CC1=CC2=C(C=C1C)OC(=N)C(=C2C)C#N","NWSCWFLDOLSGEB-UHFFFAOYSA-N","389418",NA,"PDBC16249","685500","Present"
-"2-Imino-4-(methylthio)-5-oxo-N-phenyl-2,5-dihydro-1H-pyrrole-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Imino-4-(methylthio)-5-oxo-N-phenyl-2,5-dihydro-1H-pyrrole-3-carboxamide","","CSC1=C(C(=NC1=O)N)C(=O)NC2=CC=CC=C2","KNVCXLGHZUUVCE-UHFFFAOYSA-N","392148",NA,"PDBC16250","692028","Present"
-"2-Imino-4-methyl-chromene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Imino-4-methyl-chromene-3-carbonitrile","","CC1=C(C(=N)OC2=CC=CC=C12)C#N","IFYWXSYHMKSWQH-UHFFFAOYSA-N","389417",NA,"PDBC16251","685499","Present"
-"2-Imino-6-methoxy-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","ChemDiv3_002885","","COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)N","KTWIQSNWSCNJOI-UHFFFAOYSA-N","395944",NA,"PDBC16252","701068","Present"
-"2-Imino-6-methoxy-2H-chromene-3-carboxylic acid phenylamide","","","","","","","","","","","","","","","","","","","","BAS 01020699","","COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=CC=C3","ZLTVBZSWAFBFSE-UHFFFAOYSA-N","389249",NA,"PDBC16253","685002","Present"
-"2-Imino-6-methoxy-N-naphthalen-1-ylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Imino-6-methoxy-N-naphthalen-1-ylchromene-3-carboxamide","","COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=CC4=CC=CC=C43","RHCLYGWZCLVRJD-UHFFFAOYSA-N","399121",NA,"PDBC16254","709540","Present"
-"2-Imino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Imino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide","","COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=CC=N3","FYHFOKBIVKUNDD-UHFFFAOYSA-N","395962",NA,"PDBC16255","701086","Present"
-"2-Imino-6-methoxychromene-3-carbothioamide","","","","","","","","","","","","","","","","","","","","STL171476","","COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=S)N","LUCOUNTXDLWPQS-UHFFFAOYSA-N","828049",NA,"PDBC16256","684971","Present"
-"2-Imino-8-methoxy-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","HTS028194","","COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)N","HHMZURGWXAWJGC-UHFFFAOYSA-N","395949",NA,"PDBC16257","701073","Present"
-"2-Imino-8-methoxy-N-phenyl-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","STK408182","","COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=C3","WPGOGVHGJRFBNE-UHFFFAOYSA-N","389253",NA,"PDBC16258","685006","Present"
-"2-Imino-8-prop-2-enyl-N-pyridin-2-ylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Imino-8-prop-2-enyl-N-pyridin-2-ylchromene-3-carboxamide","","C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=N3","PGVOXCQFFUVTIB-UHFFFAOYSA-N","395957",NA,"PDBC16259","701081","Present"
-"2-Imino-N-(4-methoxyphenyl)-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Imino-N-(4-methoxyphenyl)-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide","","COC1=CC=C(C=C1)NC(=O)C2=C(C(=O)N=C2N)SC","RAZNERFNZDIJQB-UHFFFAOYSA-N","392164",NA,"PDBC16260","692044","Present"
-"2-Imino-N-(4-methylphenyl)-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Imino-N-(4-methylphenyl)-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide","","CC1=CC=C(C=C1)NC(=O)C2=C(C(=O)N=C2N)SC","PIVJDTBWXZANOJ-UHFFFAOYSA-N","392162",NA,"PDBC16261","692042","Present"
-"2-Imino-N-(4-methylphenyl)-8-prop-2-enylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Imino-N-(4-methylphenyl)-8-prop-2-enylchromene-3-carboxamide","","CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=CC=C3)CC=C)OC2=N","NOHCPMKORNATAG-UHFFFAOYSA-N","395964",NA,"PDBC16262","701088","Present"
-"2-Imino-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Imino-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carboxamide","","C1CN(CCN1CC2CN(C(=N)O2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4","PWSMUIKHDKMJNC-UHFFFAOYSA-N","394338",NA,"PDBC16263","697707","Present"
-"2-Imino-N-phenyl-8-prop-2-enylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Imino-N-phenyl-8-prop-2-enylchromene-3-carboxamide","","C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=C3","JQUZBAPUSSVZJA-UHFFFAOYSA-N","395951",NA,"PDBC16264","701075","Present"
-"2-Indanone thiosemicarbazone","","","","","","","","","","","","","","","","","","","","2-Indanone thiosemicarbazone","","C1C(=NNC(=S)N)CC2=CC=CC=C21","JGHCFRSOVBJGGA-UHFFFAOYSA-N","2807509",NA,"PDBC16265","659753","Present"
-"2-Iodo-2-(2-methylcyclopentylidene)-1-phenylethanone","","","","","","","","","","","","","","","","","","","","(E/Z)-2-Iodo-2-(2'-methylcyclopentylidene)-1-phenylethanone","","CC1CCCC1=C(C(=O)C2=CC=CC=C2)I","VQEZOBPGGPIDKI-SEYXRHQNSA-N","3004942",NA,"PDBC16266","664742","Present"
-"2-Iodo-3,3-diphenylpropenal","","","","","","","","","","","","","","","","","","","","2-Iodo-3,3-diphenylpropenal","","C1=CC=C(C=C1)C(=C(C=O)I)C2=CC=CC=C2","DZUISQZSGFOYEP-UHFFFAOYSA-N","384509",NA,"PDBC16267","674453","Present"
-"2-Iodobiphenyl","","","","","","","","","","","","","","","","","","","","o-Iodobiphenyl","","C1=CC=C(C=C1)C2=CC=CC=C2I","QFUYDAGNUJWBSM-UHFFFAOYSA-N","75025",NA,"PDBC16268","9283","Present"
-"2-Iodoestradiol","","","","","","","","","","","","","","","","","","","","2-Iodoestradiol","","CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)I)O","JZYOQPBSKIOCIK-XSSYPUMDSA-N","68574",NA,"PDBC16269","671618","Present"
-"2-Iodoestradiol 17beta-acetate","","","","","","","","","","","","","","","","","","","","2-Iodoestradiol 17.beta.-acetate","","CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=C(C=C34)I)O)C","YSTGAOMPENJTFN-BKRJIHRRSA-N","383392",NA,"PDBC16270","671617","Present"
-"2-Isobutenyl estradiol","","","","","","","","","","","","","","","","","","","","2-isobutenyl estradiol","","CC(=CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O)C","FSRTVMCHXYGCQF-ROKIQVFUSA-N","381928",NA,"PDBC16271","669231","Present"
-"2-Isobutnyl estradiol","","","","","","","","","","","","","","","","","","","","2-isobutnyl estradiol","","CC(C)CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","NFBYXABUAHVOLX-ROKIQVFUSA-N","381929",NA,"PDBC16272","669232","Present"
-"2-Isonicotinoyl-5-methyl-4-(2-naphthyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","2-Isonicotinoyl-5-methyl-4-(2-naphthyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one","","CC1=NN(C(=O)C1N=NC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=NC=C4","CGZXHGCNAPWCCI-UHFFFAOYSA-N","327703",NA,"PDBC16273","303769","Present"
-"2-Isopropenyl-4,6-diphenoxy-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","1,3,5-Triazine, 2-(1-methylethenyl)-2,4-diphenoxy-","","CC(=C)C1=NC(=NC(=N1)OC2=CC=CC=C2)OC3=CC=CC=C3","TUHFYDGLBUXMEC-UHFFFAOYSA-N","340916",NA,"PDBC16274","372146","Present"
-"2-Isopropenyl-5-methoxy-11-methyl-1,11-dihydrofuro[2,3-c]acridin-6(2H)-one","","","","","","","","","","","","","","","","","","","","2-Isopropenyl-5-methoxy-11-methyl-1,11-dihydrofuro[2,3-c]acridin-6(2H)-one","","CC(=C)C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C","DYEBLBOVMXYJSX-UHFFFAOYSA-N","374578",NA,"PDBC16275","652552","Present"
-"2-Isopropoxy-3,8,9-trimethoxybenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","2-Isopropoxy-3,8,9-trimethoxybenzo[c]phenanthridine","","CC(C)OC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC)OC)OC","LYAZTRXRYGYSKZ-UHFFFAOYSA-N","371237",NA,"PDBC16276","645295","Present"
-"2-Isopropyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione","","","","","","","","","","","","","","","","","","","","2-Isopropyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione","","CC(C)C1=CC2=C(C3=C(CCCC3)C=C2)C(=O)C1=O","VPXFMBKWKKHRPD-UHFFFAOYSA-N","368568",NA,"PDBC16277","639661","Present"
-"2-Isopropyl-5-hydroxymethyl-1,3-dioxane","","","","","","","","","","","","","","","","","","","","ZZETUFLYPMIVJC-UHFFFAOYSA-N","","CC(C)C1OCC(CO1)CO","ZZETUFLYPMIVJC-UHFFFAOYSA-N","386845",NA,"PDBC16278","679579","Present"
-"2-Isopropyl-5-methylcyclohexyl (4-phenyl-1H-1,2,3-triazol-1-yl)methylcarbamate","","","","","","","","","","","","","","","","","","","","2-Isopropyl-5-methylcyclohexyl (4-phenyl-1H-1,2,3-triazol-1-yl)methylcarbamate","","CC1CCC(C(C1)OC(=O)NCN2C=C(N=N2)C3=CC=CC=C3)C(C)C","IAPQUATXEHBRED-UHFFFAOYSA-N","386633",NA,"PDBC16279","679087","Present"
-"2-Isopropyl-7-(4-nitrophenyl)-1,6,2-dioxazepane","","","","","","","","","","","","","","","","","","","","2-Isopropyl-7-(4-nitrophenyl)-1,6,2-dioxazepane","","CC(C)N1CCCOC(O1)C2=CC=C(C=C2)[N+](=O)[O-]","MNOPFWCRPXXANI-UHFFFAOYSA-N","386979",NA,"PDBC16280","680222","Present"
-"2-Isopropylphenyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate","","","","","","","","","","","","","","","","","","","","2-Isopropylphenyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate","","CC(C)C1=CC=CC=C1OC(=O)C2C(C2(C)C)C=C(C)C","ZLSWBDLJHFJFHB-UHFFFAOYSA-N","239456",NA,"PDBC16281","44547","Present"
-"2-Isoquinolin-2-ium-2-yl-1-phenanthren-3-ylethanone;iodide","","","","","","","","","","","","","","","","","","","","2-Isoquinolin-2-ium-2-yl-1-phenanthren-3-ylethanone;iodide","","C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC4=C(C=CC5=CC=CC=C54)C=C3.[I-]","VANVCPSLXZARBM-UHFFFAOYSA-M","5351160",NA,"PDBC16282","35489","Present"
-"2-Mercapto-4-(2-phenylvinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Mercapto-4-(2-phenylvinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile","","C1CCC2=C(CC1)NC(=S)C(=C2C=CC3=CC=CC=C3)C#N","KPIJMHCLRRBLDD-VAWYXSNFSA-N","5469243",NA,"PDBC16283","684707","Present"
-"2-Mercapto-6-(2-(2-naphthyl)hydrazino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","6-[2-(2-naphthyl)hydrazino]-2-sulfanyl-pyrimidin-4-ol","","C1=CC=C2C=C(C=CC2=C1)NNC3=CC(=O)NC(=S)N3","SFFKXJBVFDFYSS-UHFFFAOYSA-N","3005144",NA,"PDBC16284","677257","Present"
-"2-Mercapto-6-(2-phenylhydrazino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Mercapto-6-(2-phenylhydrazino)-4-pyrimidinol","","C1=CC=C(C=C1)NNC2=CC(=O)NC(=S)N2","MVVORFAGIYLNMA-UHFFFAOYSA-N","3005146",NA,"PDBC16285","677260","Present"
-"2-Mercapto-6-(3-(4-morpholinyl)propyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","2-Mercapto-6-(3-(4-morpholinyl)propyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-ol","","C1COCCN1CCCN2CC3=C(NC2)NC(=S)NC3=O","SVINEZKIGWLMLB-UHFFFAOYSA-N","3003818",NA,"PDBC16286","92600","Present"
-"2-Mercapto-6-(4-methoxyphenyl)-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Mercapto-6-(4-methoxyphenyl)-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","COC1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F","MBDJVXAAGWGPGV-UHFFFAOYSA-N","3004117",NA,"PDBC16287","630282","Present"
-"2-Mercapto-6-(6-sulfonate-8-hydroxy santonic acid)-benzothiazole","","","","","","","","","","","","","","","","","","","","2-mercapto-6-(6-sulfonate-8-hydroxy santonic acid)-benzo...","","CC1C(CC2C3(C1C(C2(CC3)C(C)C(=O)O)O)C)OS(=O)(=O)C4=CC5=C(C=C4)NC(=S)S5","YRQPHMVBIFSQKD-UHFFFAOYSA-N","5472646",NA,"PDBC16288","720603","Present"
-"2-Mercapto-6-methyl-9H-pyrimido[4,5-b]indol-4-ol","","","","","","","","","","","","","","","","","","","","2-Mercapto-6-methyl-9H-pyrimido[4,5-b]indol-4-ol","","CC1=CC2=C(C=C1)NC3=C2C(=O)NC(=S)N3","CWFVFPLDAKTCCS-UHFFFAOYSA-N","3005186",NA,"PDBC16289","680806","Present"
-"2-Mercapto-6-phenyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","2-Mercapto-6-phenyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F","UZZSOLKMTBMUKC-UHFFFAOYSA-N","3004143",NA,"PDBC16290","631820","Present"
-"2-Mercapto-8-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","","","","","","","","","","","","","","","","","","","2-Mercapto-8-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","CC1=NC2=C(NC(C1)C3=CC=C(C=C3)OC)NC(=S)NC2=O","UHEXDARYZIFOCU-UHFFFAOYSA-N","3004217",NA,"PDBC16291","636794","Present"
-"2-Methoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole","","","","","","","","","","","","","","","","","","","","2-Methoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole","","COC1=CC2=C(CCC3=C2N(C4=CC=CC=C34)CCN5CCCCC5)C=C1","HUTPVVRESVAZSX-UHFFFAOYSA-N","390897",NA,"PDBC16292","689072","Present"
-"2-Methoxy-2,3,4,4a,6,7,8,8a-octahydrochromen-5-one","","","","","","","","","","","","","","","","","","","","2-Methoxy-2,3,4,4a,6,7,8,8a-octahydrochromen-5-one","","COC1CCC2C(O1)CCCC2=O","LDRNECIDYQWEOB-UHFFFAOYSA-N","358271",NA,"PDBC16293","618215","Present"
-"2-Methoxy-2-phenylacetohydrazide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC668052","","COC(C1=CC=CC=C1)C(=O)NN.Cl","PPWHUFSHWPGZJV-UHFFFAOYSA-N","381464",NA,"PDBC16294","668052","Present"
-"2-Methoxy-3,4-dihydropyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide","","","","","","","","","","","","","","","","","","","","2-Methoxy-3,4-dihydropyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide","","COP1(=O)NCC2=C(O1)C=CC=N2","JASLVNSPYXJQKQ-UHFFFAOYSA-N","395844",NA,"PDBC16295","700847","Present"
-"2-Methoxy-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","W-204029","","COC1=NC2=C(C=CN2)C(=O)N1","VBKWGPQGJOITCT-UHFFFAOYSA-N","135474991",NA,"PDBC16296","622774","Present"
-"2-Methoxy-3,9-dimethyl-6-phenyl-5,8-dihydropyrimido[4,5-e][1,4]diazepine-4,7-dione","","","","","","","","","","","","","","","","","","","","2-Methoxy-3,9-dimethyl-6-phenyl-5,8-dihydropyrimido[4,5-e][1,4]diazepine-4,7-dione","","CN1CC(=O)N(CC2=C1N=C(N(C2=O)C)OC)C3=CC=CC=C3","RHEGCRDCEABTMN-UHFFFAOYSA-N","54613014",NA,"PDBC16297","749856","Present"
-"2-Methoxy-3-[3-[3-(2-methoxy-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)propyldisulfanyl]propyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-Methoxy-3-[3-[3-(2-methoxy-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propyldisulfanyl]propyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one","","COC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCCSSCCCN4C(=O)C5=C(N=C4OC)SC6=C5CCCC6","PHZDCXWFIUPVKG-UHFFFAOYSA-N","392003",NA,"PDBC16298","691799","Present"
-"2-Methoxy-3-[[3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]sulfonyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-Methoxy-3-{[3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl]sulfonyl}benzoic acid","","COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2S(=O)(=O)C5=CC=CC(=C5OC)C(=O)O","YLLOTZQZGMJJGS-UHFFFAOYSA-N","403620",NA,"PDBC16299","718688","Present"
-"2-Methoxy-3-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-Methoxy-3-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one","","CN1C(=O)C2=C(NC=C2)N=C1OC","KDRGWXUADIRGKJ-UHFFFAOYSA-N","360598",NA,"PDBC16300","622773","Present"
-"2-Methoxy-3-methyl-4(3H)-pteridinone","","","","","","","","","","","","","","","","","","","","2-Methoxy-3-methyl-4(3H)-pteridinone","","CN1C(=O)C2=NC=CN=C2N=C1OC","UFYWFIUNQLHSKU-UHFFFAOYSA-N","379344",NA,"PDBC16301","663891","Present"
-"2-Methoxy-3-methyl-5,6-bis-(3,4,5-trihydroxy-tetrahydro-pyran-2-ylamino)-3H-pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-Methoxy-3-methyl-5,6-bis-(3,4,5-trihydroxy-tetrahydro-pyran-2-ylamino)-3H-pyrimidin-4-one","","CN1C(=O)C(=C(N=C1OC)NC2C(C(C(CO2)O)O)O)NC3C(C(C(CO3)O)O)O","XFUZIPUVDCONGJ-UHFFFAOYSA-N","375433",NA,"PDBC16302","655156","Present"
-"2-Methoxy-3-methyl-6-((triphenylphosphoranylidene)amino)-4(3H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","2-Methoxy-3-methyl-6-((triphenylphosphoranylidene)amino)-4(3H)-pyrimidinone","","CN1C(=O)C=C(N=C1OC)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","RMPJGFBVJTXLRV-UHFFFAOYSA-N","389798",NA,"PDBC16303","686402","Present"
-"2-Methoxy-3-methyl-6-(1,2,3-trihydroxypropyl)-5,6-dihydro-4(3H)-pteridinone","","","","","","","","","","","","","","","","","","","","NSC663889///NSC663890","","CN1C(=O)C2=C(N=CC(N2)C(C(CO)O)O)N=C1OC","CAQVDIDTLSKKGR-UHFFFAOYSA-N","379343",NA,"PDBC16304","663889///663890","Present"
-"2-Methoxy-3-methyl-7-(1,2,3-trihydroxypropyl)pteridin-4-one","","","","","","","","","","","","","","","","","","","","NSC645746///NSC645747","","CN1C(=O)C2=NC=C(N=C2N=C1OC)C(C(CO)O)O","ZMKXNUAQSJMCTP-UHFFFAOYSA-N","371473",NA,"PDBC16305","645746///645747","Present"
-"2-Methoxy-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide","","","","","","","","","","","","","","","","","","","","2-Methoxy-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide","","COP1(=O)OC2=CC=CC=C2C(=O)C(O1)(C(F)(F)F)C(F)(F)F","RARJHOZZASATBD-UHFFFAOYSA-N","374924",NA,"PDBC16306","653509","Present"
-"2-Methoxy-4,4-dimethyl-2-pentadecylmorpholin-4-ium;iodide","","","","","","","","","","","","","","","","","","","","2-Methoxy-4,4-dimethyl-2-pentadecylmorpholin-4-ium iodide","","CCCCCCCCCCCCCCCC1(C[N+](CCO1)(C)C)OC.[I-]","FWWPGODCCDPVGI-UHFFFAOYSA-M","381050",NA,"PDBC16307","667070","Present"
-"2-Methoxy-4,5-dinitroaniline","","","","","","","","","","","","","","","","","","","","NCIMech_000169","","COC1=CC(=C(C=C1N)[N+](=O)[O-])[N+](=O)[O-]","RAGDZFDTRGPPFN-UHFFFAOYSA-N","354527",NA,"PDBC16308","606532","Present"
-"2-Methoxy-4-(6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)phenol","","","","","","","","","","","","","","","","","","","","2-methoxy-4-(7-methoxy-2-phenylbenzo[d]imidazo[2,1-b][1,...","","COC1=CC2=C(C=C1)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC(=C(C=C5)O)OC","CUEMZRKXHHJECX-UHFFFAOYSA-N","155813113",NA,"PDBC16309","755302","Present"
-"2-Methoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2-Methoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C=C5)O)OC","VJXYCGBOCOGNJF-UHFFFAOYSA-N","380573",NA,"PDBC16310","666223","Present"
-"2-Methoxy-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine","","","","","","","","","","","","","","","","","","","","2-Methoxy-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine","","COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)NC(=S)S2","UFTPGSRNSYAVIA-GDNBJRDFSA-N","5469595",NA,"PDBC16311","690616","Present"
-"2-Methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenol","","","","","","","","","","","","","","","","","","","","Phenol, 2-methoxy-4-(2-nitropropenyl)-///NSC57759","","CC(=CC1=CC(=C(C=C1)O)OC)[N+](=O)[O-]","FDLWTEUMNRJFCS-ALCCZGGFSA-N","5354204",NA,"PDBC16312","3298///57759","Present"
-"2-Methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]phenol","","","","","","","","","","","","","","","","","","","","2-Methoxy-4-(3,4,5-trimethoxybenzyl)phenol","","COC1=CC(=CC(=C1OC)OC)CC2=CC(=C(C=C2)O)OC","KFXKATJJSRKYBZ-UHFFFAOYSA-N","368064",NA,"PDBC16313","638388","Present"
-"2-Methoxy-4-[(E)-1,3,4-thiadiazol-2-yliminomethyl]phenol","","","","","","","","","","","","","","","","","","","","2-Methoxy-4-[(E)-1,3,4-thiadiazol-2-yliminomethyl]phenol","","COC1=C(C=CC(=C1)C=NC2=NN=CS2)O","YPGAMVQCBOCCLU-VZUCSPMQSA-N","135483975",NA,"PDBC16314","635952","Present"
-"2-Methoxy-4-methyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate","","","","","","","","","","","","","","","","","","","","2-Methoxy-4-methyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate","","CC1=C2CC(OC2=C3C(=C1OC(=O)C)C=CC=N3)OC","XRBRGHBLGUBUJJ-UHFFFAOYSA-N","391200",NA,"PDBC16315","690033","Present"
-"2-Methoxy-4H-[1,3,2]dioxaphosphinino[5,4-c]pyridine 2-oxide","","","","","","","","","","","","","","","","","","","","2-Methoxy-4H-[1,3,2]dioxaphosphinino[5,4-c]pyridine 2-oxide","","COP1(=O)OCC2=C(O1)C=CN=C2","BWQQLEVQSRJTEZ-UHFFFAOYSA-N","393777",NA,"PDBC16316","696461","Present"
-"2-Methoxy-5,6-dimethyl-4-(3,4,5-trimethoxyphenyl)nicotinonitrile","","","","","","","","","","","","","","","","","","","","2-Methoxy-5,6-dimethyl-4-(3,4,5-trimethoxyphenyl)nicotinonitrile","","CC1=C(N=C(C(=C1C2=CC(=C(C(=C2)OC)OC)OC)C#N)OC)C","WPBHISVYRNFNIR-UHFFFAOYSA-N","372050",NA,"PDBC16317","646910","Present"
-"2-Methoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine","","","","","","","","","","","","","","","","","","","","2-Methoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine","","COC1=CC2=C(CN3CCC4=CC=CC=C4CC3C2)C=C1","VFCXCFPRBFQFOF-UHFFFAOYSA-N","392606",NA,"PDBC16318","693146","Present"
-"2-Methoxy-5-((4-methyl-2-oxo-1,2-dihydro-quinolin-6-yl)methyl)benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-methoxy-5-((4-methyl-2-oxo-1,2-dihydro-quinolin-6-yl)m...","","CC1=CC(=O)NC2=C1C=C(C=C2)CC3=CC(=C(C=C3)OC)S(=O)(=O)O","WGEZAODXRMUXFG-UHFFFAOYSA-N","268982",NA,"PDBC16319","109483","Present"
-"2-Methoxy-5-(3,4,5-trimethoxybenzyl)phenol","","","","","","","","","","","","","","","","","","","","Neuro_000355","","COC1=C(C=C(C=C1)CC2=CC(=C(C(=C2)OC)OC)OC)O","JFZDWXGLUXEEAY-UHFFFAOYSA-N","372869",NA,"PDBC16320","648581","Present"
-"2-Methoxy-5-(8-oxothieno[2,3-b]pyrrolizin-3-yl)phenolate","","","","","","","","","","","","","","","","","","","","3-(3-Hydroxy-4-methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin...","","COC1=C(C=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O)[O-]","IXGRUAKWRHZSAP-UHFFFAOYSA-M","155812989",NA,"PDBC16321","763847","Present"
-"2-Methoxy-5-(phenothiazin-10-ylmethyl)phenol","","","","","","","","","","","","","","","","","","","","NSC788065","","COC1=C(C=C(C=C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)O","FRTSQHXZCSVXNK-UHFFFAOYSA-N","134137948",NA,"PDBC16322","788065","Present"
-"2-Methoxy-5-(pyridin-4-yl)benzamide","","","","","","","","","","","","","","","","","","","","GSK605714A","","COC1=C(C=C(C=C1)C2=CC=NC=C2)C(=O)N","QEYUQXQAUUYZDC-UHFFFAOYSA-N","25190924",NA,"PDBC16323","756181","Present"
-"2-Methoxy-5-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1H-5-imidazolylaniline","","","","","","","","","","","","","","","","","","","","2-methoxy-5-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl...","","COC1=C(C=C(C=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=CC(=C(C(=C5S4)OC)OC)OC)N","PTGOPXUJJOZNIM-UHFFFAOYSA-N","60147797",NA,"PDBC16324","752442","Present"
-"2-Methoxy-5-[(E)-3-(1,2,4-triazol-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenol","","","","","","","","","","","","","","","","","","","","(E)-5-(3-(1H-1,2,4-triazol-1-yl)-3-(3,4,5-trimethoxyphen...","","COC1=C(C=C(C=C1)C=CC(C2=CC(=C(C(=C2)OC)OC)OC)N3C=NC=N3)O","IJDFUVKTKNKRPT-FNORWQNLSA-N","155812177",NA,"PDBC16325","788807","Present"
-"2-Methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol","","","","","","","","","","","","","","","","","","","","5-((1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methyl...","","COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C=NC=N3)O","JAVAHBFKPLQFKG-UHFFFAOYSA-N","155812073",NA,"PDBC16326","788805","Present"
-"2-Methoxy-5-methylidene-2,3,4,4a,6,7,8,8a-octahydrochromene","","","","","","","","","","","","","","","","","","","","2-Methoxy-5-methylidene-2,3,4,4a,6,7,8,8a-octahydrochromene","","COC1CCC2C(O1)CCCC2=C","GGLLEFPUPGJBBI-UHFFFAOYSA-N","358283",NA,"PDBC16327","618225","Present"
-"2-Methoxy-5H-isoindolo[2,1-A]quinoxalin-6-one","","","","","","","","","","","","","","","","","","","","2- METHOXY-5H-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE","","COC1=CC2=C(C=C1)NC(=O)C3=C4C=CC=CC4=CN23","LFRMXMYKXRCNJD-UHFFFAOYSA-N","54612828",NA,"PDBC16328","747524","Present"
-"2-Methoxy-5H-pyrido[3,5]pyrrolo[3,2-c]cinnoline","","","","","","","","","","","","","","","","","","","","2-methoxy-5H-pyrido[3,2:4,5]pyrrolo[3,2-c]cinnoline","","COC1=CC2=C(C=C1)C3=C(C4=C(N3)N=CC=C4)N=N2","AOCIVXMWBPBAKU-UHFFFAOYSA-N","54613488",NA,"PDBC16329","749296","Present"
-"2-Methoxy-6,11-dihydro-5H-benzo[a]carbazole","","","","","","","","","","","","","","","","","","","","2-Methoxy-6,11-dihydro-5H-benzo[a]carbazole","","COC1=CC2=C(CCC3=C2NC4=CC=CC=C34)C=C1","CVNAOQQKBZSDEJ-UHFFFAOYSA-N","390896",NA,"PDBC16330","689071","Present"
-"2-Methoxy-6,7,8,13,14,15-hexahydro-5H-benzo[7,8]cyclodeca[1,2-b]indole","","","","","","","","","","","","","","","","","","","","2-Methoxy-6,7,8,13,14,15-hexahydro-5H-benzo[7,8]cyclodeca[1,2-b]indole","","COC1=CC2=C(CCCCC3=C(CC2)NC4=CC=CC=C34)C=C1","OOPFTNTUTIQZAX-UHFFFAOYSA-N","372333",NA,"PDBC16331","647391","Present"
-"2-Methoxy-6,8-diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","","","","","","","","","","","","","","","","","","","2-Methoxy-6,8-diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","COC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=CC=C4","OLQVWBZPEYTJHV-UHFFFAOYSA-N","135489872",NA,"PDBC16332","686601","Present"
-"2-Methoxy-6-((triphenylphosphoranylidene)amino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","2-Methoxy-6-((triphenylphosphoranylidene)amino)-4-pyrimidinol","","COC1=NC(=CC(=O)N1)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","NLIDPNHAYRHPQA-UHFFFAOYSA-N","135489870",NA,"PDBC16333","686401","Present"
-"2-Methoxy-6-(4-methoxyphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","","","","","","","","","","","","","","","","","","","2-Methoxy-6-(4-methoxyphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","COC1=CC=C(C=C1)C2=NC3=C(NC(C2)C4=CC=CC=C4)N=C(NC3=O)OC","DVNAEUBGCBDOSE-UHFFFAOYSA-N","135434003",NA,"PDBC16334","686607","Present"
-"2-Methoxy-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","","","","","","","","","","","","","","","","","","","2-Methoxy-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","COC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]","FGYQVLHXVKAVJJ-UHFFFAOYSA-N","135489874",NA,"PDBC16335","686609","Present"
-"2-Methoxy-6-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2-Methoxy-6-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=C(C(=CC=C5)OC)O","NTGCRYUQXNVBHI-UHFFFAOYSA-N","381383",NA,"PDBC16336","667923","Present"
-"2-Methoxy-6-(7-methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2-methoxy-6-(7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro...","","CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)O","YUFWLCGNALQQFC-UHFFFAOYSA-N","381389",NA,"PDBC16337","667929","Present"
-"2-Methoxy-6-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2-Methoxy-6-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C(=CC=C5)OC)O","RBEXOAWNMJODKC-UHFFFAOYSA-N","380564",NA,"PDBC16338","666214","Present"
-"2-Methoxy-6-(7-phenyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","","","","","","","","","","","","","","","","","","","2-Methoxy-6-(7-phenyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol","","COC1=CC=CC(=C1O)C2C(C(OC3=CC4=C(C=C23)OCO4)N5CCCC5)C6=CC=CC=C6","SXAHPUYYJNJKLC-UHFFFAOYSA-N","380586",NA,"PDBC16339","666236","Present"
-"2-Methoxy-6-[(2-methyl-4-nitro-imidazol-1-yl)methyl]tetrahydropyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-Methoxy-6-[(2-methyl-4-nitro-imidazol-1-yl)methyl]tetrahydropyran-3,4,5-triol","","CC1=NC(=CN1CC2C(C(C(C(O2)OC)O)O)O)[N+](=O)[O-]","KXJFFDBLAAAJLX-UHFFFAOYSA-N","394934",NA,"PDBC16340","699034","Present"
-"2-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol","","","","","","","","","","","","","","","","","","","","2-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol","","COC1=CC2=C(C=C1)OCC3(C2OC4=CC=CC=C4C3)O","KJWGTLQETOBHLL-UHFFFAOYSA-N","387601",NA,"PDBC16341","681610","Present"
-"2-Methoxy-6H-chromeno[4,3-b]chromen-7-one","","","","","","","","","","","","","","","","","","","","2-Methoxy-6H-chromeno[4,3-b]chromen-7-one","","COC1=CC2=C(C=C1)OCC3=C2OC4=CC=CC=C4C3=O","GEZYLPPXOIRWMN-UHFFFAOYSA-N","387609",NA,"PDBC16342","681618","Present"
-"2-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","2-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","COC1=CC2=C(C=C1)OCC3C2OC4=CC=CC=C4C3","VEAXMKIMFKZGIO-UHFFFAOYSA-N","387586",NA,"PDBC16343","681595","Present"
-"2-Methoxy-7-benzyl-3-(phenylsulfonyl)-6,4-h]quinoline","","","","","","","","","","","","","","","","","","","","2-methoxy-7-benzyl-3-(phenylsulfonyl)-6,7-dihydro-5H-pyr...","","COC1=C(C=C2CCC3=C(C2=N1)C=NN3CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","BUDICWLKCLEBBD-UHFFFAOYSA-N","54613023",NA,"PDBC16344","750762","Present"
-"2-Methoxy-7-nitro-benzo[f]quinoline-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Methoxy-7-nitro-benzo[f]quinoline-6-carboxylic acid","","COC1=CC2=C(C=C(C3=C2C=CC=C3[N+](=O)[O-])C(=O)O)N=C1","UQTQWIJEOXVLEZ-UHFFFAOYSA-N","356127",NA,"PDBC16345","611219","Present"
-"2-Methoxy-N-(4-((methoxy(phenyl)acetyl)amino)butyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-Methoxy-N-(4-((methoxy(phenyl)acetyl)amino)butyl)-2-phenylacetamide","","COC(C1=CC=CC=C1)C(=O)NCCCCNC(=O)C(C2=CC=CC=C2)OC","CCGUGNVLMHWGRI-UHFFFAOYSA-N","361477",NA,"PDBC16346","624514","Present"
-"2-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide","","","","","","","","","","","","","","","","","","","","2-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide","","COC1=CC=C(C=C1)NS(=O)C2=CC=CC=C2OC","BVUJRKYSZHNFQL-UHFFFAOYSA-N","385391",NA,"PDBC16347","676565","Present"
-"2-Methoxy-N-[(octahydro-2H-quinolizin-1-yl)methyl]-benzamide","","","","","","","","","","","","","","","","","","","","2-Methoxy-N-[(octahydro-2H-quinolizin-1-yl)methyl]-benzamide","","COC1=CC=CC=C1C(=O)NCC2CCCN3C2CCCC3","AMOKRMWLMZIUII-UHFFFAOYSA-N","390679",NA,"PDBC16348","688315","Present"
-"2-Methoxy-N-[[5-[8-[5-[(2-methoxyanilino)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methyl]aniline","","","","","","","","","","","","","","","","","","","","2-Methoxy-N-[[5-[8-[5-[(2-methoxyanilino)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methyl]aniline","","COC1=CC=CC=C1NCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)CNC4=CC=CC=C4OC","ZTRUAXWELXCHHI-UHFFFAOYSA-N","395650",NA,"PDBC16349","700432","Present"
-"2-Methoxy-N-phenylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","NCIMech_000017","","COC1=CC=CC=C1S(=O)NC2=CC=CC=C2","OTXQHEDKVIDYBR-UHFFFAOYSA-N","385387",NA,"PDBC16350","676561","Present"
-"2-Methoxybenzo[f]quinoline-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Methoxybenzo[f]quinoline-6-carboxylic acid","","COC1=CC2=C(C=C(C3=CC=CC=C32)C(=O)O)N=C1","NOEXYMDIPMWNNN-UHFFFAOYSA-N","356222",NA,"PDBC16351","611376","Present"
-"2-Methoxyestra-2,4,17-trione","","","","","","","","","","","","","","","","","","","","2-Methoxyestra-2,5(10)-dien-1,4,17-trione","","CC12CCC3C(C1CCC2=O)CCC4=C3C(=O)C(=CC4=O)OC","NIYYSRYLUXVAOB-MJXOLFLWSA-N","401659",NA,"PDBC16352","715367","Present"
-"2-Methoxyethanol","","","","","","","","","","","","","","","","","","","","mecs","","COCCO","XNWFRZJHXBZDAG-UHFFFAOYSA-N","8019",NA,"PDBC16353","1258","Present"
-"2-Methoxyethyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate","","","","","","","","","","","","","","","","","","","","2-Methoxyethyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCCOC","NXIHDOWRGODOSC-UHFFFAOYSA-N","404550",NA,"PDBC16354","720800","Present"
-"2-Methoxyethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate","","","","","","","","","","","","","","","","","","","","2-Methoxyethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate","","COCCOC(=O)NCN1C=C(N=N1)C2=CC=CC=C2","NNANTFCWKPIQCI-UHFFFAOYSA-N","386635",NA,"PDBC16355","679089","Present"
-"2-Methoxypavinane","","","","","","","","","","","","","","","","","","","","2-Methoxypavinane","","COC1=CC2=C(C=C1)C3CC4=CC=CC=C4C(C2)N3","FHBSFCJCNPLLLA-UHFFFAOYSA-N","371201",NA,"PDBC16356","645251","Present"
-"2-Methoxyphenazine, 5,10-dioxide","","","","","","","","","","","","","","","","","","","","2-methoxyphenazine, 5,10-dioxide///NSC54765","","COC1=CC2=C(C=C1)[N+](=O)C3=CC=CC=C3N2[O-]","KEQNUKOWWOSBSJ-UHFFFAOYSA-N","228616",NA,"PDBC16357","21669///54765","Present"
-"2-Methoxysulfinylethyl 2-[[2-(2-methoxysulfinylethoxycarbonyl)phenyl]disulfanyl]benzoate","","","","","","","","","","","","","","","","","","","","2-Methoxysulfinylethyl 2-[[2-(2-methoxysulfinylethoxycarbonyl)phenyl]disulfanyl]benzoate","","COS(=O)CCOC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)OCCS(=O)OC","GOXHAPZOFRETRJ-UHFFFAOYSA-N","361230",NA,"PDBC16358","624187","Present"
-"2-Methyl estradiol","","","","","","","","","","","","","","","","","","","","2-Methyl estradiol","","CC1=CC2=C(CCC3C2CCC4(C3CCC4O)C)C=C1O","PAZNMSHBVDFVSA-NNYOOSKESA-N","66425",NA,"PDBC16359","666605","Present"
-"2-Methyl(1,3)oxazolo(5,4-d)pyrimidin-7-amine","","","","","","","","","","","","","","","","","","","","CTN05P42B3","","CC1=NC2=C(N=CN=C2O1)N","NEVSXJRPMXLBPO-UHFFFAOYSA-N","283158",NA,"PDBC16360","137470","Present"
-"2-Methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one","","","","","","","","","","","","","","","","","","","","KXTFJTOIFJXVFJ-UHFFFAOYSA-N","","CN1C(=O)CNS1(=O)=O","KXTFJTOIFJXVFJ-UHFFFAOYSA-N","364077",NA,"PDBC16361","629716","Present"
-"2-Methyl-1,2-benzothiazole-3(2h)-thione","","","","","","","","","","","","","","","","","","","","1,2-benzisothiazoline-3-thione, 2-methyl- (8ci)","","CN1C(=S)C2=CC=CC=C2S1","RHJDOWRMOQVRAU-UHFFFAOYSA-N","292326",NA,"PDBC16362","158036","Present"
-"2-Methyl-1,3,2lambda~5~-dioxaphosphinan-2-one","","","","","","","","","","","","","","","","","","","","1,3,2-Dioxaphosphorinane, 2-methyl-, 2-oxide","","CP1(=O)OCCCO1","SKEMFEUSYWGOKR-UHFFFAOYSA-N","397386",NA,"PDBC16363","705130","Present"
-"2-Methyl-1,3,4(2H)-quinolinetriol","","","","","","","","","","","","","","","","","","","","2-Methyl-1,3,4(2H)-quinolinetriol","","CC1C(=C(C2=CC=CC=C2N1O)O)O","IGXAUNSZMVQABP-UHFFFAOYSA-N","364685",NA,"PDBC16364","631319","Present"
-"2-Methyl-1,3,6-trioxo-5-phenyl-2,3-dihydro-1H,6H-2,6a,10b-triazafluoranthen-4-yl dimethylcarbamate","","","","","","","","","","","","","","","","","","","","(3-Methyl-2,4,8-trioxo-7-phenyl-1,3,9-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,10,12,14-pentaen-6-yl) N,N-dimethylcarbamate","","CN1C(=O)C2=C3N(C4=CC=CC=C4N3C1=O)C(=O)C(=C2OC(=O)N(C)C)C5=CC=CC=C5","JEXAGUKOOHPIFI-UHFFFAOYSA-N","364729",NA,"PDBC16365","631387","Present"
-"2-Methyl-1,3-benzoxazepin-5-ol","","","","","","","","","","","","","","","","","","","","2-Methyl-1,3-benzoxazepin-5-ol","","CC1=NC=C(C2=CC=CC=C2O1)O","BRJXQLDKTUBNFR-UHFFFAOYSA-N","371951",NA,"PDBC16366","646708","Present"
-"2-Methyl-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium","","","","","","","","","","","","","","","","","","","","2-methyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide","","CC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","AFYWCAILLFORLV-UHFFFAOYSA-N","137630755",NA,"PDBC16367","790458","Present"
-"2-Methyl-1,3-diphenylpyrrolo[3,4-b]phenazine","","","","","","","","","","","","","","","","","","","","2-Methyl-1,3-diphenyl-2h-pyrrolo[3,4-b]phenazine","","CN1C(=C2C=C3C(=CC2=C1C4=CC=CC=C4)N=C5C=CC=CC5=N3)C6=CC=CC=C6","BLDTUYINCUGWAS-UHFFFAOYSA-N","403430",NA,"PDBC16368","718231","Present"
-"2-Methyl-1,4-dihydro-3(2H)-cinnolinone","","","","","","","","","","","","","","","","","","","","2-Methyl-1,4-dihydro-3(2H)-cinnolinone","","CN1C(=O)CC2=CC=CC=C2N1","JZHCXSLZJKTIGR-UHFFFAOYSA-N","368586",NA,"PDBC16369","639682","Present"
-"2-Methyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one","","","","","","","","","","","","","","","","","","","","2-Methyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one","","CN1C(=O)N2CCCNC2=N1","NMQBWNYKBRHLBU-UHFFFAOYSA-N","385165",NA,"PDBC16370","676172","Present"
-"2-Methyl-1-(1-naphthyl)-2-thiopseudourea hydriodide","","","","","","","","","","","","","","","","","","","","NSC659172","","CSC(=NC1=CC=CC2=CC=CC=C21)N.I","PIASGSZAFYXOKO-UHFFFAOYSA-N","377598",NA,"PDBC16371","659172","Present"
-"2-Methyl-1-(2,3,4,5,6-pentafluorobenzoyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2-Methyl-1-(2,3,4,5,6-pentafluorobenzoyl)-1H-benzimidazole","","CC1=NC2=CC=CC=C2N1C(=O)C3=C(C(=C(C(=C3F)F)F)F)F","DJOROBASCMRIJL-UHFFFAOYSA-N","383504",NA,"PDBC16372","671889","Present"
-"2-Methyl-1-(2-methylphenyl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-1-(2-methylphenyl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=CC=CC=C1N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)C","ODTYWKNSOSCADS-UHFFFAOYSA-N","229012",NA,"PDBC16373","22347","Present"
-"2-Methyl-1-[10-(2-methyl-4-oxoquinolin-1-yl)decyl]quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-Methyl-1-[10-(2-methyl-4-oxo-1-quinolyl)decyl]quinolin-4-one","","CC1=CC(=O)C2=CC=CC=C2N1CCCCCCCCCCN3C(=CC(=O)C4=CC=CC=C43)C","NILWCEHLEMQHIK-UHFFFAOYSA-N","387889",NA,"PDBC16374","682098","Present"
-"2-Methyl-1-ethyl diazopropanoate","","","","","","","","","","","","","","","","","","","","2-Methyl-1-ethyl diazopropanoate","","CC(=[N+]=[N-])C(=O)OCCOC","XUARVATXCDKGCS-UHFFFAOYSA-N","386726",NA,"PDBC16375","679275","Present"
-"2-Methyl-1-oxo-1H-[1,2,4]triazino[4,3-a]quinoline-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Methyl-1-oxo-1H-[1,2,4]triazino[4,3-a]quinoline-6-carboxylic acid","","CC1=NN=C2C=C(C3=CC=CC=C3N2C1=O)C(=O)O","SGYJPZHZULMSQZ-UHFFFAOYSA-N","379478",NA,"PDBC16376","664032","Present"
-"2-Methyl-1-phenyl-1h-naphtho[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-1-phenyl-1h-naphtho[2,3-d]imidazole-4,9-dione","","CC1=NC2=C(N1C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O","OEDRMYVGCFCZHE-UHFFFAOYSA-N","229011",NA,"PDBC16377","22346","Present"
-"2-Methyl-1-propyl-1h-naphtho[2,3-d]imidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-1-propyl-1h-naphtho[2,3-d]imidazole-4,9-dione","","CCCN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","QMYKJMRDHQMLOS-UHFFFAOYSA-N","285581",NA,"PDBC16378","142587","Present"
-"2-Methyl-1H-benzo[e]isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","NSC407567","","CN1C(=O)C2=C(C1=O)C3=CC=CC=C3C=C2","JVTIUKODBFHDLP-UHFFFAOYSA-N","250522",NA,"PDBC16379","407567","Present"
-"2-Methyl-1H-imidazo[4,5-d]pyridazin-4-ol","","","","","","","","","","","","","","","","","","","","2-Methyl-1H-imidazo[4,5-d]pyridazin-4-ol","","CC1=NC2=C(N1)C=NNC2=O","QSHAJDUVVRZQFC-UHFFFAOYSA-N","135430103",NA,"PDBC16380","690589","Present"
-"2-Methyl-1H-imidazo[4,5-d]pyridazine-4-thiol","","","","","","","","","","","","","","","","","","","","2-Methyl-1H-imidazo[4,5-d]pyridazine-4-thiol","","CC1=NC2=C(N1)C=NNC2=S","MPLBNIFDWSXPGU-UHFFFAOYSA-N","135489885",NA,"PDBC16381","690590","Present"
-"2-Methyl-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,7-a]benzimidazole","","","","","","","","","","","","","","","","","","","","2-Methyl-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,7-a]benzimidazole","","CN1CCCC2=NC3=CC=CC=C3N2C1","XGDPLSSDVRDCJC-UHFFFAOYSA-N","373088",NA,"PDBC16382","649008","Present"
-"2-Methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dithiane","","","","","","","","","","","","","","","","","","","","2-Methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dithiane","","CC1(SCCCS1)C2=CC(=C(C(=C2)OC)OC)OC","OBVMGBSOVFSAPT-UHFFFAOYSA-N","372300",NA,"PDBC16383","647359","Present"
-"2-Methyl-2-(quinazolin-4-ylamino)propane-1,3-diol","","","","","","","","","","","","","","","","","","","","2-Methyl-2-(quinazolin-4-ylamino)propane-1,3-diol","","CC(CO)(CO)NC1=NC=NC2=CC=CC=C21","JSZKNJOFAULIQU-UHFFFAOYSA-N","225095",NA,"PDBC16384","14179","Present"
-"2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid","","","","","","","","","","","","","","","","","","","","Propanoic acid, 2-methyl-2-[4-(1-naphthalenyl)phenoxy]-","","CC(C)(C(=O)O)OC1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32","JTWKEZBNKHBDAW-UHFFFAOYSA-N","327338",NA,"PDBC16385","302042","Present"
-"2-Methyl-2-phenyl-2,7-dihydro-1H-purine-6-carboxamide","","","","","","","","","","","","","","","","","","","","2-Methyl-2-phenyl-2,7-dihydro-1H-purine-6-carboxamide","","CC1(NC2=C(C(=N1)C(=O)N)NC=N2)C3=CC=CC=C3","NXRDQQYVTVYJMZ-UHFFFAOYSA-N","135409223",NA,"PDBC16386","670255","Present"
-"2-Methyl-2-phenylpropanehydrazide","","","","","","","","","","","","","","","","","","","","NE31264","","CC(C)(C1=CC=CC=C1)C(=O)NN","MQXCWWHSWXLWPJ-UHFFFAOYSA-N","348636",NA,"PDBC16387","408051","Present"
-"2-Methyl-2H-[1,2,4]triazine-3,5-dithione","","","","","","","","","","","","","","","","","","","","2-Methyl-2H-[1,2,4]triazine-3,5-dithione","","CN1C(=S)NC(=S)C=N1","COGSYAPWYVZPQH-UHFFFAOYSA-N","3614437",NA,"PDBC16388","58974","Present"
-"2-Methyl-3(2H)-cinnolinone","","","","","","","","","","","","","","","","","","","","2-Methyl-3(2H)-cinnolinone","","CN1C(=O)C=C2C=CC=CC2=N1","UNONIHHEHBHRDB-UHFFFAOYSA-N","368585",NA,"PDBC16389","639681","Present"
-"2-Methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol","","","","","","","","","","","","","","","","","","","","TMIQ","","CN1CC(C2=CC(=C(C=C2C1)O)O)O","PIJDIPDQQMXWEM-UHFFFAOYSA-N","157875",NA,"PDBC16390","693428","Present"
-"2-Methyl-3,5,6-trinitro-1H-indole","","","","","","","","","","","","","","","","","","","","2-Methyl-3,5,6-trinitro-1H-indole","","CC1=C(C2=CC(=C(C=C2N1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","YLMNCYDKNWUIKS-UHFFFAOYSA-N","370348",NA,"PDBC16391","643410","Present"
-"2-Methyl-3,6-dinitro-1h-indole","","","","","","","","","","","","","","","","","","","","NSC131889","","CC1=C(C2=C(N1)C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","JEKLOMCNFGSKHY-UHFFFAOYSA-N","280305",NA,"PDBC16392","131889","Present"
-"2-Methyl-3-((4-methylphenyl)sulfinyl)-1,7-dioxaspiro[5.5]undec-2-ene","","","","","","","","","","","","","","","","","","","","2-Methyl-3-((4-methylphenyl)sulfinyl)-1,7-dioxaspiro[5.5]undec-2-ene","","CC1=CC=C(C=C1)S(=O)C2=C(OC3(CCCCO3)CC2)C","RHSGPDYRIJDAOZ-UHFFFAOYSA-N","386664",NA,"PDBC16393","679190","Present"
-"2-Methyl-3-(1-(methylthio)-3-butenyl)-1H-inden-1-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(1-(methylthio)-3-butenyl)-1H-inden-1-one","","CC1=C(C2=CC=CC=C2C1=O)C(CC=C)SC","GWFPJWNIEWMHQR-UHFFFAOYSA-N","379029",NA,"PDBC16394","662791","Present"
-"2-Methyl-3-(1H-indazol-3-yl)quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(1H-indazol-3-yl)quinazolin-4(3H)-one","","CC1=NC2=CC=CC=C2C(=O)N1C3=NNC4=CC=CC=C43","XSLMBPYRCMMILT-UHFFFAOYSA-N","439036",NA,"PDBC16395","702050","Present"
-"2-Methyl-3-(2-(2-methyl-1H-indol-3-yl)vinyl)-1H-indole","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(2-(2-methyl-1H-indol-3-yl)vinyl)-1H-indole","","CC1=C(C2=CC=CC=C2N1)C=CC3=C(NC4=CC=CC=C43)C","MGQNZDPKLYABSX-VAWYXSNFSA-N","5387791",NA,"PDBC16396","627396","Present"
-"2-Methyl-3-(2-(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)ethyl)-1(2H)-isoquinolinone","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(2-(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)ethyl)-1(2H)-isoquinolinone","","CC1(CC2=CC=CC=C2C(=O)O1)CCC3=CC4=CC=CC=C4C(=O)N3C","LSQMMMZICIWTQW-UHFFFAOYSA-N","383411",NA,"PDBC16397","671641","Present"
-"2-Methyl-3-(2-chlorophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one","","","","","","","","","","","","","","","","","","","","7-(2-Chlorophenyl)-1-methyl-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile","","CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=CC=C3Cl","DJWNNNLYEYOYQT-UHFFFAOYSA-N","363803",NA,"PDBC16398","629017","Present"
-"2-Methyl-3-(2-methyl-1-propenyl)-2-(phenylthio)cyclobutanone","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(2-methyl-1-propenyl)-2-(phenylthio)cyclobutanone","","CC(=CC1CC(=O)C1(C)SC2=CC=CC=C2)C","NQSBNNWHZPHDBL-UHFFFAOYSA-N","371744",NA,"PDBC16399","646187","Present"
-"2-Methyl-3-(2-methylbutan-2-yl)benzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-1-(2-methylbutan-2-yl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCC(C)(C)N1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","NBPDIQCIGBQUMK-UHFFFAOYSA-N","374258",NA,"PDBC16400","651759","Present"
-"2-Methyl-3-(2-methylbutyl)benzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-1-(2-methylbutyl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCC(C)CN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","RWPQDVHNMXOKFE-UHFFFAOYSA-N","374259",NA,"PDBC16401","651760","Present"
-"2-Methyl-3-(2-methylpropyl)benzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-1-(2-methylpropyl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=NC2=C(N1CC(C)C)C(=O)C3=CC=CC=C3C2=O","LMXCIDYZXHSDLV-UHFFFAOYSA-N","374253",NA,"PDBC16402","651754","Present"
-"2-Methyl-3-(2-phenylhydrazinyl)quinoxaline","","","","","","","","","","","","","","","","","","","","(E)-3-Methyl-2-(2-phenylhydrazono)-1,2-dihydroquinoxaline","","CC1=NC2=CC=CC=C2N=C1NNC3=CC=CC=C3","LGFSRIOYSFTORO-UHFFFAOYSA-N","353494",NA,"PDBC16403","601980","Present"
-"2-Methyl-3-(3-methylbutyl)benzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-1-(3-methylbutyl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=NC2=C(N1CCC(C)C)C(=O)C3=CC=CC=C3C2=O","ZXDUHLILVJMEQX-UHFFFAOYSA-N","374257",NA,"PDBC16404","651758","Present"
-"2-Methyl-3-(4-bromophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one","","","","","","","","","","","","","","","","","","","","7-(4-Bromophenyl)-1-methyl-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile","","CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)Br","GTRRWYMZCUABKR-UHFFFAOYSA-N","363797",NA,"PDBC16405","629011","Present"
-"2-Methyl-3-(4-chlorophenyl)-6-cyano-7-methyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one","","","","","","","","","","","","","","","","","","","","7-(4-Chlorophenyl)-1,3-dimethyl-5-oxo-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile","","CC1=C(C(=O)CC(N(N1)C)C2=CC=C(C=C2)Cl)C#N","KMDJILMPXLKKDP-UHFFFAOYSA-N","363801",NA,"PDBC16406","629015","Present"
-"2-Methyl-3-(4-chlorophenylazo)-6-chloro-4H-pyrimido[2,1-b]benzothiazole-4-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(4-chlorophenylazo)-6-chloro-4H-pyrimido[2,1-b]benzothiazole-4-one","","CC1=C(C(=O)N2C3=C(C=CC=C3Cl)SC2=N1)N=NC4=CC=C(C=C4)Cl","PMAANTJSXRDRNZ-UHFFFAOYSA-N","397289",NA,"PDBC16407","704842","Present"
-"2-Methyl-3-(4-dimethylaminophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(4-dimethylaminophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one","","CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)N(C)C","JHTSKPQOJQDZPZ-UHFFFAOYSA-N","363802",NA,"PDBC16408","629016","Present"
-"2-Methyl-3-(4-fluorophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one","","","","","","","","","","","","","","","","","","","","7-(4-Fluorophenyl)-1-methyl-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile","","CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)F","YBFSYPCQMYYGRU-UHFFFAOYSA-N","363796",NA,"PDBC16409","629010","Present"
-"2-Methyl-3-(4-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(4-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one","","CC1=CSC(=N1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C","NAZYMHSRBBFUNZ-UHFFFAOYSA-N","399242",NA,"PDBC16410","709915","Present"
-"2-Methyl-3-(4-morpholinyl)-1,3-diphenyl-1-propanone","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(4-morpholinyl)-1,3-diphenyl-1-propanone","","CC(C(C1=CC=CC=C1)N2CCOCC2)C(=O)C3=CC=CC=C3","RUSXYSPNUUXXDR-UHFFFAOYSA-N","288940",NA,"PDBC16411","150316","Present"
-"2-Methyl-3-(5-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(5-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one","","CC1=CN=C(S1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C","DMTKSTNSYIIGPV-UHFFFAOYSA-N","399240",NA,"PDBC16412","709913","Present"
-"2-Methyl-3-(5-nitro-2-furyl)-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole","","","","","","","","","","","","","","","","","","","","1-Methyl-5-(5-nitrofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole","","CN1C(CC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(O3)[N+](=O)[O-]","UYHSZQLQNVHIOV-UHFFFAOYSA-N","369501",NA,"PDBC16413","641279","Present"
-"2-Methyl-3-(m-tolyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","NSC679211///NSC679212","","CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C=C(C=C3)NC4C(C(C(C(O4)CO)O)O)O)C","FTJUOHLXJJXQOC-UHFFFAOYSA-N","386683",NA,"PDBC16414","679211///679212","Present"
-"2-Methyl-3-(methoxycarbonyl)-4-hydroxy-7-chloro-2H-1,2-benzothiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","7-Chloro-3-(hydroxy-methoxy-methylene)-2-methyl-1,1-dioxo-benzo[e]thiazin-4-one","","CN1C(=C(C2=C(S1(=O)=O)C=C(C=C2)Cl)O)C(=O)OC","MPQNKMJYFWTMOR-UHFFFAOYSA-N","54686247",NA,"PDBC16415","698129","Present"
-"2-Methyl-3-(phenyltelluro)-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(phenyltelluro)-1,4-naphthoquinone","","CC1=C(C(=O)C2=CC=CC=C2C1=O)[Te]C3=CC=CC=C3","BKVMNWGUHUWTBP-UHFFFAOYSA-N","11090122",NA,"PDBC16416","748878","Present"
-"2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol","","CC(C)(C(=C=C)SC1=CC=CC=C1)O","NQJHYMGNYWTYEN-UHFFFAOYSA-N","373327",NA,"PDBC16417","649471","Present"
-"2-Methyl-3-(tris(phenylthio)methyl)cyclopentanone","","","","","","","","","","","","","","","","","","","","2-Methyl-3-(tris(phenylthio)methyl)cyclopentanone","","CC1C(CCC1=O)C(SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4","FRLFUBHLIMXIRF-UHFFFAOYSA-N","361932",NA,"PDBC16418","625413","Present"
-"2-Methyl-3-[(4-methylphenyl)methyl]benzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-1-(4-methylbenzyl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=CC=C(C=C1)CN2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)C","HFYBQAZYXYTMPV-UHFFFAOYSA-N","374276",NA,"PDBC16419","651777","Present"
-"2-Methyl-3-[(E)-2-oxo-2-(4-methoxyphenyl)ethylidene]-2H-isoindole-1(3H)-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-[(E)-2-oxo-2-(4-methoxyphenyl)ethylidene]-2H-isoindole-1(3H)-one","","CN1C(=CC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3C1=O","UPOVHJCJCOPYNW-LFIBNONCSA-N","5472239",NA,"PDBC16420","717161","Present"
-"2-Methyl-3-[3-(3-chlorophenyl)thioureido]quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-[3-(3-chlorophenyl)thioureido]quinazolin-4(3H)-one","","CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC(=CC=C3)Cl","WQUFIYFFBLFZQN-UHFFFAOYSA-N","3001682",NA,"PDBC16421","653937","Present"
-"2-Methyl-3-[3-(3-methoxyphenyl)thioureido]quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-[3-(3-methoxyphenyl)thioureido]quinazolin-4(3H)-one","","CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC(=CC=C3)OC","DCTXTAYTEMQACC-UHFFFAOYSA-N","3001684",NA,"PDBC16422","653938","Present"
-"2-Methyl-3-methylsulfanyl-1,2,4-triazin-5-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-methylsulfanyl-1,2,4-triazin-5-one","","CN1C(=NC(=O)C=N1)SC","FHWKXBUKNWZSIL-UHFFFAOYSA-N","388792",NA,"PDBC16423","683879","Present"
-"2-Methyl-3-nitropropenoic acid methyl ester","","","","","","","","","","","","","","","","","","","","2-Methyl-3-nitropropenoic acid methyl ester","","CC(=C[N+](=O)[O-])C(=O)OC","USIWNCYWAGSARG-ONEGZZNKSA-N","5387120",NA,"PDBC16424","620556","Present"
-"2-Methyl-3-pentan-2-ylbenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-1-(pentan-2-yl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCCC(C)N1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","QJQFFLAMFYEEEG-UHFFFAOYSA-N","374255",NA,"PDBC16425","651756","Present"
-"2-Methyl-3-pentan-3-ylbenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-1-(pentan-3-yl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCC(CC)N1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","ZHDZHXHWWWRQQB-UHFFFAOYSA-N","374256",NA,"PDBC16426","651757","Present"
-"2-Methyl-3-phenyl-1,5,2-dithiazinane 1,1,5,5-tetraoxide","","","","","","","","","","","","","","","","","","","","2-Methyl-3-phenyl-1,5,2-dithiazinane 1,1,5,5-tetraoxide","","CN1C(CS(=O)(=O)CS1(=O)=O)C2=CC=CC=C2","MUXGWCFGCIBVPR-UHFFFAOYSA-N","363944",NA,"PDBC16427","629478","Present"
-"2-Methyl-3-phenyl-5-(3-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4","PPRHJKUHOBTVLJ-UHFFFAOYSA-N","398632",NA,"PDBC16428","708782","Present"
-"2-Methyl-3-phenyl-5-(4-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","LJNNEPUVGQASMG-UHFFFAOYSA-N","398631",NA,"PDBC16429","708781","Present"
-"2-Methyl-3-phenyl-5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4","YVGNFUYXSLUBDU-UHFFFAOYSA-N","396111",NA,"PDBC16430","701659","Present"
-"2-Methyl-3-phenyl-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-Methyl-3-phenyl-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]quinazolin-4-one","","CC1=NC2=C(C=C(C=C2)NC3C(C(C(CO3)O)O)O)C(=O)N1C4=CC=CC=C4","PEZKKVKHQLCXFX-UHFFFAOYSA-N","386682",NA,"PDBC16431","679210","Present"
-"2-Methyl-3-phenyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","NSC679207///NSC679208","","CC1=NC2=C(C=C(C=C2)NC3C(C(C(C(O3)CO)O)O)O)C(=O)N1C4=CC=CC=C4","VWSGOABMFSEXMJ-UHFFFAOYSA-N","386680",NA,"PDBC16432","679207///679208","Present"
-"2-Methyl-3-phenyl-6-cyano-7-(4-chlorophenyl)-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-1-methyl-5-oxo-7-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile","","CN1C(CC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3","BDIHQYSGYOKIER-UHFFFAOYSA-N","363799",NA,"PDBC16433","629013","Present"
-"2-Methyl-3-pyrrolidin-1-ylquinoxaline","","","","","","","","","","","","","","","","","","","","Cambridge id 5751466","","CC1=NC2=CC=CC=C2N=C1N3CCCC3","IDVIVWNKKBNROO-UHFFFAOYSA-N","238490",NA,"PDBC16434","42846","Present"
-"2-Methyl-3-quinuclidinyl cyclopentenyl(1-propynyl)glycolate","","","","","","","","","","","","","","","","","","","","LS-58326","","CC#CC(C1=CCCC1)(C(=O)OC2C(N3CCC2CC3)C)O","UCTOEHTYBBRGKA-UHFFFAOYSA-N","380380",NA,"PDBC16435","665896","Present"
-"2-Methyl-3-quinuclidyl cyclopentyl(1-propynyl)glycolate","","","","","","","","","","","","","","","","","","","","LS-58002","","CC#CC(C1CCCC1)(C(=O)OC2C(N3CCC2CC3)C)O","DKJTWISIFXBISM-UHFFFAOYSA-N","380287",NA,"PDBC16436","665767","Present"
-"2-Methyl-3-quinuclidyl phenyl(1-butynyl)glycolate","","","","","","","","","","","","","","","","","","","","LS-89057","","CCC#CC(C1=CC=CC=C1)(C(=O)OC2C(N3CCC2CC3)C)O","VOCRJOMVKAJZBC-UHFFFAOYSA-N","56501",NA,"PDBC16437","665770","Present"
-"2-Methyl-3H-imidazo[4,5-c]pyridine","","","","","","","","","","","","","","","","","","","","8-Methyl-3-deazapurine","","CC1=NC2=C(N1)C=NC=C2","JWQVOMJORQXNME-UHFFFAOYSA-N","373077",NA,"PDBC16438","648928","Present"
-"2-Methyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","NSC2757","","CC1=NC2=CC=CC=C2C(=O)N1","FIEYHAAMDAPVCH-UHFFFAOYSA-N","135400457",NA,"PDBC16439","2757","Present"
-"2-Methyl-4,1-benzoxazepin-5(1H)-one","","","","","","","","","","","","","","","","","","","","2-Methyl-4,1-benzoxazepin-5(1H)-one","","CC1=COC(=O)C2=CC=CC=C2N1","JPSAKHXQOLWQHF-UHFFFAOYSA-N","370884",NA,"PDBC16440","644619","Present"
-"2-Methyl-4,2-b:5,4-b']dithiophene-4,8-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-4,8-dihydrobenzo[1,2-b:5,4-b']dithiophene-4,8-d...","","CC1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3","IAAALXHIXSGPCF-UHFFFAOYSA-N","375901",NA,"PDBC16441","656238","Present"
-"2-Methyl-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium;bromide","","","","","","","","","","","","","","","","","","","","2-Methyl-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium;bromide","","CC1=C[P+](C2=CC=CC=C2O1)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","DFDZUIVWSKZAGG-UHFFFAOYSA-M","24199840",NA,"PDBC16442","346098","Present"
-"2-Methyl-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane","","","","","","","","","","","","","","","","","","","","2-Methyl-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane","","CC1CC2(C(CN1O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","FKVMUDUSITZBLP-UHFFFAOYSA-N","361144",NA,"PDBC16443","623976","Present"
-"2-Methyl-4,5-diphenylthiazole","","","","","","","","","","","","","","","","","","","","STK396444","","CC1=NC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3","ZFYWCVZNRMSXBT-UHFFFAOYSA-N","77365",NA,"PDBC16444","59791","Present"
-"2-Methyl-4,6-dihydro-1,3,4-thiadiazolino[3,2-a]pyrimidine-5,7-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7(6h)-dione","","CC1=NN2C(=O)CC(=O)N=C2S1","OIADDWVYJUDTDW-UHFFFAOYSA-N","397291",NA,"PDBC16445","704844","Present"
-"2-Methyl-4,6-diphenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione","","","","","","","","","","","","","","","","","","","","6-Methyl-1,3-diphenyl-oxazolo(5,4-d)pyrimidin-2,4(1H,3H)...","","CC1=NC2=C(O1)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4","JYBZGYJAIKOESI-UHFFFAOYSA-N","387456",NA,"PDBC16446","681262","Present"
-"2-Methyl-4,9-dioxo-4,9-dihydro-naphtho[2,3-b]furan-3-carboxylic acid o-tolylamide","","","","","","","","","","","","","","","","","","","","2-Methyl-N-(2-methylphenyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide","","CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C","GXUFIMIBJLPYBK-UHFFFAOYSA-N","369640",NA,"PDBC16447","641595","Present"
-"2-Methyl-4-(1H-pyrazol-1-yl)-3-(2-(1H-pyrazol-1-yl)ethyl)quinoline","","","","","","","","","","","","","","","","","","","","2-Methyl-4-(1H-pyrazol-1-yl)-3-(2-(1H-pyrazol-1-yl)ethyl)quinoline","","CC1=NC2=CC=CC=C2C(=C1CCN3C=CC=N3)N4C=CC=N4","NWVIOLGQKQXJCL-UHFFFAOYSA-N","379757",NA,"PDBC16448","664729","Present"
-"2-Methyl-4-(2-methylaziridin-1-yl)-6-phenyl-5-[(E)-3-phenylprop-2-enoyl]pyridazin-3-one","","","","","","","","","","","","","","","","","","","","2-Methyl-4-(2-methylaziridin-1-yl)-6-phenyl-5-[(E)-3-phenylprop-2-enoyl]pyridazin-3-one","","CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4","UAUASWCMCCWKAF-BUHFOSPRSA-N","6157236",NA,"PDBC16449","634625","Present"
-"2-Methyl-4-(2H-thiopyran-6-yl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-Methyl-4-(2H-thiopyran-6-yl)-2,3-dihydro-1,5-benzothiazepine","","CC1CC(=NC2=CC=CC=C2S1)C3=CC=CCS3","PPVLIFKCWMAMBV-UHFFFAOYSA-N","367600",NA,"PDBC16450","637432","Present"
-"2-Methyl-4-(4-methyl-1-piperazinyl)-5H-indeno[1,2-d]pyrimidine","","","","","","","","","","","","","","","","","","","","2-Methyl-4-(4-methyl-1-piperazinyl)-5H-indeno[1,2-d]pyrimidine","","CC1=NC2=C(CC3=CC=CC=C32)C(=N1)N4CCN(CC4)C","NNDCHRMSKBOASE-UHFFFAOYSA-N","387036",NA,"PDBC16451","680356","Present"
-"2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","CC1CC(=NC2=CC=CC=C2S1=O)C3=CC=C(C=C3)[N+](=O)[O-]","VVYQJGCLKUHIJA-UHFFFAOYSA-N","369433",NA,"PDBC16452","641203","Present"
-"2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine","","CC1CC(=NC2=CC=CC=C2S1)C3=CC=C(C=C3)[N+](=O)[O-]","OEUXANLCGPEYQZ-UHFFFAOYSA-N","367361",NA,"PDBC16453","637000","Present"
-"2-Methyl-4-(4-pyridinyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-4-(4-pyridinyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione","","CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=CC=NC=C5","SSPKLSZDKQGWSO-UHFFFAOYSA-N","367778",NA,"PDBC16454","637717","Present"
-"2-Methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one","","","","","","","","","","","","","","","","","","","","Naphth[2,3-d]oxazol-9-one, 2-methyl-4-(phenylimino)-","","CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4=CC=CC=C4","UPEHKUQHXSSQQA-UHFFFAOYSA-N","160386",NA,"PDBC16455","650573","Present"
-"2-Methyl-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine","","","","","","","","","","","","","","","","","","","","2-Methyl-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)NC(=S)S2","JPKDJFBEERCSRW-PTNGSMBKSA-N","5469594",NA,"PDBC16456","690615","Present"
-"2-Methyl-4-[(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)-(2-nitrophenyl)methyl]-5-phenyl-4H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","2-Methyl-4-[(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)-(2-nitrophenyl)methyl]-5-phenyl-4H-pyrazol-3-one","","CN1C(=O)C(C(=N1)C2=CC=CC=C2)C(C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=CC=C5[N+](=O)[O-]","RKZLNEOKGFCKLH-UHFFFAOYSA-N","389747",NA,"PDBC16457","686344","Present"
-"2-Methyl-4-[(E)-(2-methyl-1,3-dioxo-5H-pyrimido[1,6-a]benzimidazol-4-yl)azo]-5H-pyrimido[1,6-a]benzimidazole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-4-[(2-methyl-1,3-dioxo-5H-pyrimido[1,6-a]benzimidazol-4-yl)diazenyl]-5H-pyrimido[1,6-a]benzimidazole-1,3-dione","","CN1C(=O)C(=C2NC3=CC=CC=C3N2C1=O)N=NC4=C5NC6=CC=CC=C6N5C(=O)N(C4=O)C","LJILTGLLBSWQRT-UHFFFAOYSA-N","373494",NA,"PDBC16458","649902","Present"
-"2-Methyl-4-[4-[(E)-3-oxobut-1-enyl]phenyl]-4,5-dihydro-3H-naphtho[3,2-g][1,5]benzodiazepine-8,13-dione","","","","","","","","","","","","","","","","","","","","3H-Anthra[1,2-b][1,4]diazepine-8,13-dione, 3,4-dihydro-2...","","CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=CC=C(C=C5)C=CC(=O)C","MBWCXQXITVVBQQ-BQYQJAHWSA-N","5899031",NA,"PDBC16459","637718","Present"
-"2-Methyl-4-methoxy-5-piperidino-6H-furo[2,3-c]xanthen-6-one","","","","","","","","","","","","","","","","","","","","2-Methyl-4-methoxy-5-piperidino-6H-furo[2,3-c]xanthen-6-one","","CC1=CC2=C3C(=C(C(=C2O1)OC)N4CCCCC4)C(=O)C5=CC=CC=C5O3","ZVBXPTZCLHOWTR-UHFFFAOYSA-N","389281",NA,"PDBC16460","685034","Present"
-"2-Methyl-4-methylsulfanyl-1H-imidazo[4,5-d]pyridazine","","","","","","","","","","","","","","","","","","","","2-Methyl-4-methylsulfanyl-1H-imidazo[4,5-d]pyridazine","","CC1=NC2=C(N=NC=C2N1)SC","DFXZMPHVVAMEEI-UHFFFAOYSA-N","5466431",NA,"PDBC16461","690591","Present"
-"2-Methyl-4-nitro-3a,4,9a,9b-tetrahydrobenzo[g][1]benzofuran-6,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-4-nitro-3a,4,9a,9b-tetrahydrobenzo[g]benzofuran-6,9-dione","","CC1=CC2C(C=C3C(C2O1)C(=O)C=CC3=O)[N+](=O)[O-]","XGENLEJKGKDUAR-UHFFFAOYSA-N","397021",NA,"PDBC16462","704284","Present"
-"2-Methyl-4-nitronaphtho[1,2-b]furan-6,9-dione","","","","","","","","","","","","","","","","","","","","2-Methyl-4-nitro-benzo[g]benzofuran-6,9-dione","","CC1=CC2=C(C=C3C(=O)C=CC(=O)C3=C2O1)[N+](=O)[O-]","ORYBZICTAIDZBY-UHFFFAOYSA-N","397023",NA,"PDBC16463","704286","Present"
-"2-Methyl-4-nitroquinoline 1-oxide","","","","","","","","","","","","","","","","","","","","NSC144470///NSC19646","","CC1=[N+](C2=CC=CC=C2C(=C1)[N+](=O)[O-])[O-]","YRPLTHBJMGSMKH-UHFFFAOYSA-N","78545",NA,"PDBC16464","144470///19646","Present"
-"2-Methyl-4-oxo-3,5-diphenyl-4,5-dihydro-3a,5,6,7-tetraaza-indene-1-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 7-methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carboxylate","","CCOC(=O)C1=C2N=NN(C(=O)N2C(=C1C)C3=CC=CC=C3)C4=CC=CC=C4","GTHFSDQKTBMTAB-UHFFFAOYSA-N","396110",NA,"PDBC16465","701658","Present"
-"2-Methyl-4-oxo-7-(trifluoromethyl)-4H-1,3-benzodioxin-2-yl 2-(acetyloxy)-4-(trifluoromethyl)benzoate","","","","","","","","","","","","","","","","","","","","2-Methyl-4-oxo-7-(trifluoromethyl)-4H-1,3-benzodioxin-2-yl 2-(acetyloxy)-4-(trifluoromethyl)benzoate","","CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)OC2(OC3=C(C=CC(=C3)C(F)(F)F)C(=O)O2)C","QQNQTUHOHVQAJA-UHFFFAOYSA-N","383950",NA,"PDBC16466","672914","Present"
-"2-Methyl-4-oxo-N-(1,3-thiazol-2-yl)-3-((1,3-thiazol-2-ylsulfonyl)amino)-3,4-dihydro-6-quinazolinesulfonamide","","","","","","","","","","","","","","","","","","","","N-[2-Methyl-4-oxo-6-(1,3-thiazol-2-ylsulfamoyl)quinazolin-3-yl]-1,3-thiazole-2-sulfonamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)N1NS(=O)(=O)C4=NC=CS4","OLKZUOHNDOLUFW-UHFFFAOYSA-N","390431",NA,"PDBC16467","687785","Present"
-"2-Methyl-4-oxo-N-(2-pyridinyl)-3-((2-pyridinylsulfonyl)amino)-3,4-dihydro-6-quinazolinesulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-4-oxo-N-(2-pyridinyl)-3-((2-pyridinylsulfonyl)amino)-3,4-dihydro-6-quinazolinesulfonamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C(=O)N1NS(=O)(=O)C4=CC=CC=N4","KEOJFGQLWVISSI-UHFFFAOYSA-N","390430",NA,"PDBC16468","687784","Present"
-"2-Methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]quinazoline-6-sulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]quinazoline-6-sulfonamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N1NS(=O)(=O)C5=CC=C(C=C5)C6=CC=CC=C6","CAONZYFPXZOWDB-UHFFFAOYSA-N","390432",NA,"PDBC16469","687786","Present"
-"2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","NBRFYVLJPCZJNZ-UHFFFAOYSA-N","","CC1CC(=NC2=CC=CC=C2S1)C3=CC=CC=C3","NBRFYVLJPCZJNZ-UHFFFAOYSA-N","369428",NA,"PDBC16470","641198","Present"
-"2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide","","CC1CC(=NC2=CC=CC=C2S1(=O)=O)C3=CC=CC=C3","KFIUEZBHTLEYEE-UHFFFAOYSA-N","367468",NA,"PDBC16471","637200","Present"
-"2-Methyl-4-propionyl-1(2H)-isoquinolinone","","","","","","","","","","","","","","","","","","","","2-Methyl-4-propionyl-1(2H)-isoquinolinone","","CCC(=O)C1=CN(C(=O)C2=CC=CC=C21)C","NUFYMYFXCJUDTM-UHFFFAOYSA-N","370867",NA,"PDBC16472","644600","Present"
-"2-Methyl-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-Methyl-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidin-4-one","","CC1=CC(=O)N2C3=CC=CC=CC3=CC2=N1","LTYBGOZEYMHOCF-UHFFFAOYSA-N","363758",NA,"PDBC16473","628950","Present"
-"2-Methyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","2-Methyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one","","CC1=NN2CCC(=O)N=C2S1","QGWDAYCOICYYTA-UHFFFAOYSA-N","397292",NA,"PDBC16474","704845","Present"
-"2-Methyl-5-(1-phenyltetrazol-5-yl)pyrimidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Methyl-5-(1-phenyltetrazol-5-yl)pyrimidine-4-carboxylic acid","","CC1=NC=C(C(=N1)C(=O)O)C2=NN=NN2C3=CC=CC=C3","HFUAZNKSCLQYAF-UHFFFAOYSA-N","384187",NA,"PDBC16475","673519","Present"
-"2-Methyl-5-(3,4,5-trimethoxycinnamoyl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","(E)-1-(6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]t...","","CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC","LVYXJVLFDWMLQX-BJMVGYQFSA-N","101887310",NA,"PDBC16476","773187","Present"
-"2-Methyl-5-(3,4,5-trimethoxycinnamoyl)-6-(p-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","(E)-1-(6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]t...","","CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)F)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC","ZCCRLJKURCKJQY-BJMVGYQFSA-N","101887306",NA,"PDBC16477","773186","Present"
-"2-Methyl-5-(5,6-dichloro-1H-benzoimidazole-2-yl)-6-(4-fluorophenyl)-imidazo[2,1-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","5-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-6-(4-fluorophe...","","CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)F)C4=NC5=CC(=C(C=C5N4)Cl)Cl","XFMJUOIUEXGIEI-UHFFFAOYSA-N","101887239",NA,"PDBC16478","767081","Present"
-"2-Methyl-5-(p-tolylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","2-Methyl-5-(p-tolylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-one","","CC1=CC=C(C=C1)CC2=NN(C(=O)N2N3C=CC=C3)C","ZGUXKEGCXSDUGK-UHFFFAOYSA-N","388868",NA,"PDBC16479","684061","Present"
-"2-Methyl-5-[2-[2-(6-methyl-3-pyridyl)ethylphosphonoyl]ethyl]pyridine","","","","","","","","","","","","","","","","","","","","2-Methyl-5-[2-[2-(6-methyl-3-pyridyl)ethylphosphonoyl]ethyl]pyridine","","CC1=NC=C(C=C1)CC[P+](=O)CCC2=CN=C(C=C2)C","LCVGBCJGALBXGR-UHFFFAOYSA-N","6328840",NA,"PDBC16480","672912","Present"
-"2-Methyl-5-nitro-1-[2-(2-nitroimidazol-1-yl)ethyl]imidazole","","","","","","","","","","","","","","","","","","","","1-[2'-(2""""-nitroimidazolyl)-ethyl]-2-methyl-5-nitroimidazole","","CC1=NC=C(N1CCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","ODENVYIMKKHLKX-UHFFFAOYSA-N","371292",NA,"PDBC16481","645367","Present"
-"2-Methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(C3)C4=CC=CC=C4","LMCUMVWDQKNIAM-UHFFFAOYSA-N","402358",NA,"PDBC16482","716270","Present"
-"2-Methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CC=C4","WUABNKVQCNQNHX-UHFFFAOYSA-N","402362",NA,"PDBC16483","716274","Present"
-"2-Methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(C3)C4=CC=CS4","LVGBDUHSSXVCTP-UHFFFAOYSA-N","402360",NA,"PDBC16484","716272","Present"
-"2-Methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CS4","KHPZHCZOSJDZJM-UHFFFAOYSA-N","402364",NA,"PDBC16485","716276","Present"
-"2-Methyl-5-nitro-N-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-5-nitro-N-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","SNCSVRVFLIMCLR-WUXMJOGZSA-N","5472104",NA,"PDBC16486","716267","Present"
-"2-Methyl-5-nitro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-5-nitro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3","SSYUTLIESGYZOX-RIYZIHGNSA-N","5472102",NA,"PDBC16487","716265","Present"
-"2-Methyl-5-nitro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-5-nitro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC=CS3","GTNWXKLPDQMOGT-ZHACJKMWSA-N","5472105",NA,"PDBC16488","716268","Present"
-"2-Methyl-5-nitro-benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","STL295504","","CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]","RJZQKPFOBDQULU-UHFFFAOYSA-N","372024",NA,"PDBC16489","646840","Present"
-"2-Methyl-5-phenyl-1,3-thiazol-4-amine","","","","","","","","","","","","","","","","","","","","ALBB-004405","","CC1=NC(=C(S1)C2=CC=CC=C2)N","HGQCFPLZGCHBBY-UHFFFAOYSA-N","367369",NA,"PDBC16490","637008","Present"
-"2-Methyl-5-phenyl[1,3]oxazolo[4,5-c]quinolin-4(5H)-one","","","","","","","","","","","","","","","","","","","","2-Methyl-5-phenyl[1,3]oxazolo[4,5-c]quinolin-4(5H)-one","","CC1=NC2=C(O1)C3=CC=CC=C3N(C2=O)C4=CC=CC=C4","LXXSYBITZWRFHG-UHFFFAOYSA-N","389387",NA,"PDBC16491","685453","Present"
-"2-Methyl-5H-pyrido[4, hydrate","","","","","","","","","","","","","","","","","","","","2-methyl-.gamma.-carbolinium acetate","","CC(=O)[O-].C[N+]1=CC2=C(C=C1)NC3=CC=CC=C32","NBZCALPWMDWXRJ-UHFFFAOYSA-N","364892",NA,"PDBC16492","631706","Present"
-"2-Methyl-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-methyl-6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]ind...","","CC1=CC2=C(C3=C(N2C=C1)C(=O)C4=CC=CC=C4C3=O)C(=O)O","UDCJHNCTCYTKCK-UHFFFAOYSA-N","155807235",NA,"PDBC16493","795222","Present"
-"2-Methyl-6,7,8,9-tetrahydro-3H-pyrimido[5',4':3,4]pyrrolo[1,2-a]azepin-4(5H)-one","","","","","","","","","","","","","","","","","","","","5-Methyl-4,6,9-triazatricyclo[7.5.0.02,7]tetradeca-1,5,7-trien-3-one","","CC1=NC2=CN3CCCCCC3=C2C(=O)N1","LFUKXVCPMPOOHY-UHFFFAOYSA-N","135400644",NA,"PDBC16494","697464","Present"
-"2-Methyl-6-(1-naphthoyl)benzoic acid","","","","","","","","","","","","","","","","","","","","9J098E7WMC","","CC1=C(C(=CC=C1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)O","BXZKSJZKQCAGIB-UHFFFAOYSA-N","246628",NA,"PDBC16495","59941","Present"
-"2-Methyl-6-(4-pyridinyl)imidazo[2,1-b][1,3]thiazole","","","","","","","","","","","","","","","","","","","","2-Methyl-6-(4-pyridinyl)imidazo[2,1-b][1,3]thiazole","","CC1=CN2C=C(N=C2S1)C3=CC=NC=C3","XXANBEWCOHFZQG-UHFFFAOYSA-N","369509",NA,"PDBC16496","641289","Present"
-"2-Methyl-6-(6-nitroindol-1-yl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-Methyl-6-(6-nitroindol-1-yl)oxane-3,4,5-triol","","CC1C(C(C(C(O1)N2C=CC3=C2C=C(C=C3)[N+](=O)[O-])O)O)O","RPHNMGIXLHJSEW-UHFFFAOYSA-N","373117",NA,"PDBC16497","649059","Present"
-"2-Methyl-6-[(5-nitrofuran-2-yl)methylideneamino]chromen-4-one","","","","","","","","","","","","","","","","","","","","2-Methyl-6-{[(e)-(5-nitrofuran-2-yl)methylidene]amino}-4h-chromen-4-one","","CC1=CC(=O)C2=C(O1)C=CC(=C2)N=CC3=CC=C(O3)[N+](=O)[O-]","WOFJXFQDCNCYPX-UHFFFAOYSA-N","276122",NA,"PDBC16498","123370","Present"
-"2-Methyl-6-[(E)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-Methyl-6-[(E)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","CC1=C2CC(=CC3=CC=CC(=C3C(=O)O)C)C(=O)C2=CC=C1","WSPJNKXEQLJVNQ-NTEUORMPSA-N","6052116",NA,"PDBC16499","678386","Present"
-"2-Methyl-6-[5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-Methyl-6-[5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxane-3,4,5-triol","","CC1C(C(C(C(O1)N2C=C(C3=C2N=C(N=C3SC)SC)C)O)O)O","LPVXCJFKCYENAI-UHFFFAOYSA-N","356592",NA,"PDBC16500","613056","Present"
-"2-Methyl-6-nitro-1-oxido-benzotriazol-1-ium","","","","","","","","","","","","","","","","","","","","2-Methyl-6-nitro-1-oxido-benzotriazol-1-ium","","CN1N=C2C=CC(=CC2=[N+]1[O-])[N+](=O)[O-]","HAZVMFIPIDRRDN-UHFFFAOYSA-N","388097",NA,"PDBC16501","682560","Present"
-"2-Methyl-6-nitro-7-[(E)-styryl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","2-Methyl-6-nitro-7-[(E)-styryl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","CC1=NN2C(=O)C(=C(N=C2S1)C=CC3=CC=CC=C3)[N+](=O)[O-]","KUKRMQJSPWMSRF-BQYQJAHWSA-N","5925301",NA,"PDBC16502","677196","Present"
-"2-Methyl-6-nitro-benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","EU-0067674","","CN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O","IBTIRLNRVKXCST-UHFFFAOYSA-N","371172",NA,"PDBC16503","645173","Present"
-"2-Methyl-6-phenyl-1,5,2-dioxazinane","","","","","","","","","","","","","","","","","","","","2-Methyl-6-phenyl-3,4-dihydro-1,5,2-dioxazine","","CN1CCOC(O1)C2=CC=CC=C2","SPYXDUGGONAFPO-UHFFFAOYSA-N","372209",NA,"PDBC16504","647165","Present"
-"2-Methyl-6H-[1,3]thiazolo[5,4-c]carbazole","","","","","","","","","","","","","","","","","","","","2-Methyl-6H-[1,3]thiazolo[5,4-c]carbazole","","CC1=NC2=C(S1)C=CC3=C2C4=CC=CC=C4N3","MCUSJWXIZSPNNH-UHFFFAOYSA-N","391110",NA,"PDBC16505","689728","Present"
-"2-Methyl-7-(4-nitrophenyl)-1,6,2-dioxazepane","","","","","","","","","","","","","","","","","","","","2-Methyl-7-(4-nitrophenyl)-1,6,2-dioxazepane","","CN1CCCOC(O1)C2=CC=C(C=C2)[N+](=O)[O-]","JLZJARRJINRZIC-UHFFFAOYSA-N","386978",NA,"PDBC16506","680221","Present"
-"2-Methyl-8,9-dihydrocyclopenta[5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4(7H)-one","","","","","","","","","","","","","","","","","","","","4-Methyl-5-oxa-8-thia-3,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,10,15-pentaen-6-one","","CC1=NC2=C(C(=O)O1)SC3=C2C=C4CCCC4=N3","VFRDLSPNFPDTPX-UHFFFAOYSA-N","392976",NA,"PDBC16507","694218","Present"
-"2-Methyl-8-(1-naphthyl)quinoline","","","","","","","","","","","","","","","","","","","","2-Methyl-8-(1-naphthyl)quinoline","","CC1=NC2=C(C=CC=C2C3=CC=CC4=CC=CC=C43)C=C1","DKPWNBCMBXMQCN-UHFFFAOYSA-N","386460",NA,"PDBC16508","678489","Present"
-"2-Methyl-9-[(2-methylbenzotriazol-5-yl)amino]triazolo[4,5-f]quinolin-7-ol","","","","","","","","","","","","","","","","","","","","2-Methyl-9-[(2-methylbenzotriazol-5-yl)amino]triazolo[4,5-f]quinolin-7-ol","","CN1N=C2C=CC(=CC2=N1)NC3=CC(=O)NC4=C3C5=NN(N=C5C=C4)C","UMCGOPRRFISNJR-UHFFFAOYSA-N","135489882",NA,"PDBC16509","689724","Present"
-"2-Methyl-9-[(Z)-phenylimino]naphth[2,3-d]oxazol-4-one","","","","","","","","","","","","","","","","","","","","2-Methyl-9-[(Z)-phenylimino]naphth[2,3-d]oxazol-4-one","","CC1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=CC=CC=C4C2=O","MWYYVCOAWMLWKK-UHFFFAOYSA-N","373683",NA,"PDBC16510","650574","Present"
-"2-Methyl-9-[4-(2-hydroxyethyl)piperazino]-2H-1,2,3-triazolo[4,5-f]quinoline","","","","","","","","","","","","","","","","","","","","2-[4-(2-Methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-yl)piperazin-1-yl]ethanol","","CN1N=C2C=CC3=NC=CC(=C3C2=N1)N4CCN(CC4)CCO","SXEIORDNONATMH-UHFFFAOYSA-N","380469",NA,"PDBC16511","666065","Present"
-"2-Methyl-N-((2-toluidinocarbonyl)oxy)propanimidoyl chloride","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, 2-methyl-N-[[[(2-methylphenyl) a...","","CC1=CC=CC=C1NC(=O)ON=C(C(C)C)Cl","IMQRTBJMEAJDOI-PTNGSMBKSA-N","9556245",NA,"PDBC16512","682822","Present"
-"2-Methyl-N-((3-toluidinocarbonyl)oxy)propanimidoyl chloride","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, 2-methyl-N-[[[(3-methylphenyl) a...","","CC1=CC(=CC=C1)NC(=O)ON=C(C(C)C)Cl","JDHTWBLVIOBGGM-PTNGSMBKSA-N","9556244",NA,"PDBC16513","682821","Present"
-"2-Methyl-N-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)benzamide","","","","","","","","","","","","","","","","","","","","2-Methyl-N-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)benzamide","","CC1=CC=CC=C1C(=O)NC(C(F)(F)F)(C(F)(F)F)O","SMXVQRCIOXFCHT-UHFFFAOYSA-N","389150",NA,"PDBC16514","684834","Present"
-"2-Methyl-N-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)-5-nitro-1H-imidazole-1-acetamide","","","","","","","","","","","","","","","","","","","","2-Methyl-N-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)-5-nitro-1H-imidazole-1-acetamide","","CC1=NC=C(N1CCNC(=O)CN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]","KMCIIMXLGQMJCT-UHFFFAOYSA-N","370830",NA,"PDBC16515","644496","Present"
-"2-Methyl-N-(2-(2-pyridinyl)ethyl)-1-propanamine","","","","","","","","","","","","","","","","","","","","2-Methyl-N-(2-(2-pyridinyl)ethyl)-1-propanamine","","CC(C)CNCCC1=CC=CC=N1","LIYDXVXRMIKYIU-UHFFFAOYSA-N","238322",NA,"PDBC16516","42651","Present"
-"2-Methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;2,3,4,5,6-pentachlorophenol","","","","","","","","","","","","","","","","","","","","2-Methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine; 2,3,4,5,6-pentachlorophenol","","CC(=C)CNCC(=C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O","VIVCKDRUZKLWDE-UHFFFAOYSA-N","237371",NA,"PDBC16517","40787","Present"
-"2-Methyl-N-(2-methylpropyl)-1H-indole-1-acetamide","","","","","","","","","","","","","","","","","","","","STK931306","","CC1=CC2=CC=CC=C2N1CC(=O)NCC(C)C","XZDHSTZDTPPODL-UHFFFAOYSA-N","381969",NA,"PDBC16518","669279","Present"
-"2-Methyl-N-[3-[methyl-[3-[(2-methylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Methyl-N-[3-[methyl-[3-[(2-methylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indazole-3-carboxamide","","CN1C(=C2C=CC3=CC=CC=C3C2=N1)C(=O)NCCCN(C)CCCNC(=O)C4=C5C=CC6=CC=CC=C6C5=NN4C","QNFKOUCJVRKGQN-UHFFFAOYSA-N","403555",NA,"PDBC16519","718579","Present"
-"2-Methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide","","","","","","","","","","","","","","","","","","","","2-Propenamide, 2-methyl-N-[4-[(1-methylethyl)amino1phenyl]-","","CC(C)NC1=CC=C(C=C1)NC(=O)C(=C)C","SLHDOPUIZPVUFW-UHFFFAOYSA-N","319257",NA,"PDBC16520","261610","Present"
-"2-Methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C","RFTVRRQJUSNBAK-UHFFFAOYSA-N","402374",NA,"PDBC16521","716286","Present"
-"2-Methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-Methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CS4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C","MRLXZUPQDPDFMP-UHFFFAOYSA-N","402377",NA,"PDBC16522","716289","Present"
-"2-Methyl-N-phenyl-N'-[1-[(2-phenylacetyl)amino]ethyl]propanediamide","","","","","","","","","","","","","","","","","","","","2-Methyl-N-phenyl-N'-[1-[(2-phenylacetyl)amino]ethyl]propanediamide","","CC(C(=O)NC1=CC=CC=C1)C(=O)NC(C)NC(=O)CC2=CC=CC=C2","NWUCXYJTNFIILW-UHFFFAOYSA-N","387033",NA,"PDBC16523","680353","Present"
-"2-Methyl-N-propyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine","","","","","","","","","","","","","","","","","","","","2-Methyl-N-propyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine","","CCCN=C1CC(NC2=CC=CC=C2N1)C","OIRIXIDOOZAEME-UHFFFAOYSA-N","135426649",NA,"PDBC16524","705838","Present"
-"2-Methyl-N-propyl-1H-indole-1-acetamide","","","","","","","","","","","","","","","","","","","","LS-82095","","CCCNC(=O)CN1C(=CC2=CC=CC=C21)C","OIZPBWGTJSIIHJ-UHFFFAOYSA-N","381968",NA,"PDBC16525","669278","Present"
-"2-Methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-3-((3-Methyl-2-Butenyl)Oxy)Phenyl)-2-Methyl-3-Furancarbothioamide","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C","YZHIXLCGPOTQNB-UHFFFAOYSA-N","3000926",NA,"PDBC16526","675186","Present"
-"2-Methylamino-5-methoxyphenyl 2-nitrophenyl sulfone","","","","","","","","","","","","","","","","","","","","2-Methylamino-5-methoxyphenyl 2-nitrophenyl sulfone","","CNC1=C(C=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","GZFALTFVEVCIOD-UHFFFAOYSA-N","381408",NA,"PDBC16527","667953","Present"
-"2-Methylaminoestra-2,4,17-trione","","","","","","","","","","","","","","","","","","","","2-Methylaminoestra-2,5(10)-dien-1,4,17-trione","","CC12CCC3C(C1CCC2=O)CCC4=C3C(=O)C(=CC4=O)NC","JWDXURMBISCZNE-MJXOLFLWSA-N","395705",NA,"PDBC16528","700500","Present"
-"2-Methylbenzo[c]phenanthrene;2,4,7-trinitrofluoren-9-one","","","","","","","","","","","","","","","","","","","","2-Methylbenzo[c]phenanthrene;2,4,7-trinitrofluoren-9-one","","CC1=CC2=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","BNNCLPZSQRXCMZ-UHFFFAOYSA-N","348728",NA,"PDBC16529","408191","Present"
-"2-Methylbenzo[g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","2-Methylbenzo[g]quinoline-5,10-dione","","CC1=NC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O","RPBFXOPZCXVTNR-UHFFFAOYSA-N","386103",NA,"PDBC16530","677735","Present"
-"2-Methylbicyclo[3.2.1]oct-3-ene-2,8-diol","","","","","","","","","","","","","","","","","","","","2-Methylbicyclo[3.2.1]oct-3-ene-2,8-diol","","CC1(C=CC2CCC1C2O)O","MBCSIIFDOIVMMX-UHFFFAOYSA-N","371764",NA,"PDBC16531","646207","Present"
-"2-Methylbutyl 4-((4-(((4-((2-methylbutoxy)carbonyl)phenyl)imino)methyl)benzylidene)amino)benzoate","","","","","","","","","","","","","","","","","","","","2-Methylbutyl 4-((4-(((4-((2-methylbutoxy)carbonyl)phenyl)imino)methyl)benzylidene)amino)benzoate","","CCC(C)COC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)OCC(C)CC","AAKJINQWEFWQSR-UHFFFAOYSA-N","367991",NA,"PDBC16532","638211","Present"
-"2-Methylchalcone","","","","","","","","","","","","","","","","","","","","2-Methylchalcone","","CC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2","JTDWYVCDAANOSR-VAWYXSNFSA-N","5386842",NA,"PDBC16533","618413","Present"
-"2-Methylellipticinium iodide","","","","","","","","","","","","","","","","","","","","NSC351710","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)C.[I-]","IEBAEDRKJIAQLM-UHFFFAOYSA-N","21123185",NA,"PDBC16534","351710","Present"
-"2-Methylellipticinium methanesulfonate","","","","","","","","","","","","","","","","","","","","NSC352299","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)C.CS(=O)(=O)[O-]","ONCJTUSIELMHLW-UHFFFAOYSA-N","24199985",NA,"PDBC16535","352299","Present"
-"2-Methylene-5,5,8abeta-trimethyldecalin-1beta-methanol","","","","","","","","","","","","","","","","","","","","[(1S,8As)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol","","CC1(CCCC2(C1CCC(=C)C2CO)C)C","ZPTSRWNMMWXEHX-RMTCENKZSA-N","11218332",NA,"PDBC16536","731784","Present"
-"2-Methylenecyclododecyl phenyl sulfoxide","","","","","","","","","","","","","","","","","","","","2-Methylenecyclododecyl phenyl sulfoxide","","C=C1CCCCCCCCCCC1S(=O)C2=CC=CC=C2","LCRFMDDGVBFMGW-UHFFFAOYSA-N","380692",NA,"PDBC16537","666396","Present"
-"2-Methylenetetralin-1-one","","","","","","","","","","","","","","","","","","","","VKRKOOOBSIIARV-UHFFFAOYSA-N","","C=C1CCC2=CC=CC=C2C1=O","VKRKOOOBSIIARV-UHFFFAOYSA-N","377751",NA,"PDBC16538","659342","Present"
-"2-Methylglutaric acid","","","","","","","","","","","","","","","","","","","",".alpha.-Methylglutaric acid","","CC(CCC(=O)O)C(=O)O","AQYCMVICBNBXNA-UHFFFAOYSA-N","12046",NA,"PDBC16539","408456","Present"
-"2-Methylolivacinium acetate","","","","","","","","","","","","","","","","","","","","2-methylolivacinium acetate","","CC1=C2C=C[N+](=C(C2=CC3=C1NC4=CC=CC=C43)C)C.CC(=O)[O-]","VBCXQSFIAPPUNG-UHFFFAOYSA-N","5458752",NA,"PDBC16540","336003","Present"
-"2-Methylpropane-1,1,3-tricarboxylic acid","","","","","","","","","","","","","","","","","","","","1,5-Pentanedioic acid, 2-carboxy-3-methyl-","","CC(CC(=O)O)C(C(=O)O)C(=O)O","HZPIPRAJSKIBIB-UHFFFAOYSA-N","230738",NA,"PDBC16541","220204","Present"
-"2-Methylpropane-1,2,3-tricarboxylic acid","","","","","","","","","","","","","","","","","","","","GPICKHDXBPTBLD-UHFFFAOYSA-","","CC(CC(=O)O)(CC(=O)O)C(=O)O","GPICKHDXBPTBLD-UHFFFAOYSA-N","74119",NA,"PDBC16542","66538","Present"
-"2-Methylpropoxycarbonyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate","","","","","","","","","","","","","","","","","","","","Isobutoxycarbonyl 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoate","","CC(C)COC(=O)OC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","FZLCHYQWUQENLV-UHFFFAOYSA-N","393098",NA,"PDBC16543","694483","Present"
-"2-Methylpropyl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate","","","","","","","","","","","","","","","","","","","","2-Methylpropyl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate","","CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3C(=O)OCC(C)C)CC5=CC=CC=C5)C(=C1OC)OC)OC","MUFJNSQFTGFUIU-PBOVWJFESA-N","6330790",NA,"PDBC16544","622076","Present"
-"2-Methylpropyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","2-Methylpropyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate","","CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2C(=O)OCC(C)C)CC4=CC=CC=C4)OC","DWZBSNGFQMFWSI-NTFVMDSBSA-N","5387231",NA,"PDBC16545","622073","Present"
-"2-Methylpropyl N-[4-[(5-pentyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate","","","","","","","","","","","","","","","","","","","","2-Methylpropyl N-[4-[(5-pentyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate","","CCCCCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OCC(C)C","KHEAPAMXGNTNGH-UHFFFAOYSA-N","404505",NA,"PDBC16546","720742","Present"
-"2-Methylpyridinium-trans-[tetrachlorobis (2-methylpyridi...","","","","","","","","","","","","","","","","","","","","2-Methylpyridinium-trans-[tetrachlorobis (2-methylpyridi...","","","","",NA,"PDBC16547","631478","Present"
-"2-Methylpyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione","","","","","","","","","","","","","","","","","","","","2-Methylpyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione","","CN1C(=O)C=C2NC3=CC=CC=C3N2C1=O","IVLMMVGNQIABFI-UHFFFAOYSA-N","372022",NA,"PDBC16548","646838","Present"
-"2-Methylpyrimido[4',5':4,5][1,3]thiazolo[3,2-a]benzimidazol-4-ol","","","","","","","","","","","","","","","","","","","","4-Methyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,9,11,13,15-hexaen-6-one","","CC1=NC2=C(C(=O)N1)SC3=NC4=CC=CC=C4N23","MVNWPKYQCPZZNH-UHFFFAOYSA-N","135485175",NA,"PDBC16549","692380","Present"
-"2-Methylquinazoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","XYVJAYUJAJRFLR-UHFFFAOYSA-N","","CC1=NC2=CC=CC=C2C(=N1)C(=O)O","XYVJAYUJAJRFLR-UHFFFAOYSA-N","362511",NA,"PDBC16550","626532","Present"
-"2-Methylquinoline-3,4-dione 1-oxide","","","","","","","","","","","","","","","","","","","","2-Methylquinoline-3,4-dione 1-oxide","","CC1=[N+](C2=CC=CC=C2C(=O)C1=O)[O-]","DEUMHPKEGIBZSI-UHFFFAOYSA-N","364687",NA,"PDBC16551","631321","Present"
-"2-Methylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","Quinoxaline, 2-methyl-, 1,4-dioxide","","CC1=C[N+](=O)C2=CC=CC=C2N1[O-]","PZUHHXFIMAEXGO-UHFFFAOYSA-N","81144",NA,"PDBC16552","48949","Present"
-"2-Methylsulfanyl-11-oxo-pyrimido[5,4-b]quinolizine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-11-oxo-pyrimido[5,4-b]quinolizine-5-carbonitrile","","CSC1=NC=C2C(=C3C=CC=CN3C(=O)C2=N1)C#N","ZTRKEPQTBUXAIL-UHFFFAOYSA-N","390692",NA,"PDBC16553","688324","Present"
-"2-Methylsulfanyl-4-phenyl-5,6-dihydrobenzo[h]quinazoline","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-4-phenyl-5,6-dihydrobenzo[h]quinazoline","","CSC1=NC(=C2CCC3=CC=CC=C3C2=N1)C4=CC=CC=C4","BHEBJYALULDQSE-UHFFFAOYSA-N","371391",NA,"PDBC16554","645609","Present"
-"2-Methylsulfanyl-5-[2-[8-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-5-[2-[8-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]-1,3,4-oxadiazole","","CSC1=NN=C(O1)CCSC2=C3C=CC=C(C3=NC=C2)C(F)(F)F","GEOYZANAQZKIFQ-UHFFFAOYSA-N","45027948",NA,"PDBC16555","740244","Present"
-"2-Methylsulfanyl-5-morpholino-5h-chromeno[4,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-5-morpholino-5h-chromeno[4,3-d]pyrimidine","","CSC1=NC=C2C(OC3=CC=CC=C3C2=N1)N4CCOCC4","DPRGVYVBRZNFKE-UHFFFAOYSA-N","390598",NA,"PDBC16556","688119","Present"
-"2-Methylsulfanyl-5-piperidin-1-yl-5H-chromeno[4,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-5-(1-piperidyl)-5h-chromeno[4,3-d]pyrimidine","","CSC1=NC=C2C(OC3=CC=CC=C3C2=N1)N4CCCCC4","CBJBSWDHGYLNKE-UHFFFAOYSA-N","390599",NA,"PDBC16557","688120","Present"
-"2-Methylsulfanyl-5-pyrrolidin-1-yl-5H-chromeno[4,3-d]pyrimidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-5-pyrrolidin-1-yl-5H-chromeno[4,3-d]pyrimidine hydrochloride","","CSC1=NC=C2C(OC3=CC=CC=C3C2=N1)N4CCCC4.Cl","DKTKMTOOOHRBJK-UHFFFAOYSA-N","390600",NA,"PDBC16558","688121","Present"
-"2-Methylsulfanyl-5H-chromeno[4,3-d]pyrimidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-5H-chromeno[4,3-d]pyrimidine hydrochloride","","CSC1=NC=C2COC3=CC=CC=C3C2=N1.Cl","MBLVVYXCOPARJJ-UHFFFAOYSA-N","390594",NA,"PDBC16559","688117","Present"
-"2-Methylsulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[2,3-b][1,3]thiazin-4-ium;iodide","","","","","","","","","","","","","","","","","","","","2-(Methylsulfanyl)-6,7-dihydro-5H-[1,3,4]thiadiazolo[2,3-b][1,3]thiazin-4-ium iodide","","CSC1=N[N+]2=C(S1)SCCC2.[I-]","SHTMPUKYQSVPJD-UHFFFAOYSA-M","365699",NA,"PDBC16560","633553","Present"
-"2-Methylsulfanyl-6,8-diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-6,8-diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","CSC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=CC=C4","BVNFLIXAWRAJSD-UHFFFAOYSA-N","135436055",NA,"PDBC16561","686602","Present"
-"2-Methylsulfanyl-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","CSC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]","FBTSKLPIOXAXMS-UHFFFAOYSA-N","135404945",NA,"PDBC16562","686611","Present"
-"2-Methylsulfanyl-7-phenyl-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-7-phenyl-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one","","CSC1=NC=C2C3=C(C(=O)N(C=N3)C4=CC=CC=C4)SC2=N1","BEZOVPHXAQMIMF-UHFFFAOYSA-N","394393",NA,"PDBC16563","697793","Present"
-"2-Methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)-1H-purin-6-one","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)-1H-purin-6-one","","CSC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(CO3)O)O)O","GBYNCABPYXTMHP-UHFFFAOYSA-N","135420604",NA,"PDBC16564","624651","Present"
-"2-Methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-purin-6-one","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-purin-6-one","","CSC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(C(O3)CO)O)O)O","YUYHWVWEDABSBD-UHFFFAOYSA-N","135503414",NA,"PDBC16565","624652","Present"
-"2-Methylsulfanylbutanedioic acid","","","","","","","","","","","","","","","","","","","","2-(Methylthio)succinic acid","","CSC(CC(=O)O)C(=O)O","RZBUKFQTUZLROF-UHFFFAOYSA-N","350687",NA,"PDBC16566","514779","Present"
-"2-Methylsulfanyltricyclo[4.3.0.03,7]nonane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Methylsulfanyltricyclo[4.3.0.03,7]nonane-2-carboxylic acid","","CSC1(C2CCC3C2CCC31)C(=O)O","LUUFFDIGOVAXOK-UHFFFAOYSA-N","384345",NA,"PDBC16567","674036","Present"
-"2-Methylsulfinyl-5H-chromeno[4,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","2-(Methylsulfinyl)-5h-chromeno[4,3-d]pyrimidine","","CS(=O)C1=NC=C2COC3=CC=CC=C3C2=N1","UCTDJMKVUHBPJP-UHFFFAOYSA-N","402149",NA,"PDBC16568","716009","Present"
-"2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione","","","","","","","","","","","","","","","","","","","","2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione","","CN1C(=O)CC2CCCN2C1=O","UZHWLELZRGGRGV-UHFFFAOYSA-N","395093",NA,"PDBC16569","699385","Present"
-"2-Methylthiazolidine-2,4-dicarbonylic acid-di-sodium salt","","","","","","","","","","","","","","","","","","","","2-Methylthiazolidine-2,4-dicarbonylic acid- di-sodium salt","","CC1(NC(CS1)C(=O)O)C(=O)O.[Na+]","HNENRQXUWDXDOL-CGLOMXEHSA-N","54612624",NA,"PDBC16570","726111","Present"
-"2-Methylthio-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-Methylthio-1,4-naphthoquinone","","CSC1=CC(=O)C2=CC=CC=C2C1=O","GGFFBRRZAKLGFX-UHFFFAOYSA-N","96324",NA,"PDBC16571","67209","Present"
-"2-Methylthioethyl p-nitrophenyldiazoacetate","","","","","","","","","","","","","","","","","","","","2-Methylthioethyl p-nitrophenyldiazoacetate","","CSCCOC(=O)C(=[N+]=[N-])C1=CC=C(C=C1)[N+](=O)[O-]","HCIJTRLMNYCNDZ-UHFFFAOYSA-N","361719",NA,"PDBC16572","624963","Present"
-"2-Methyltryptoline","","","","","","","","","","","","","","","","","","","","Alkaloid GPZ-2","","CN1CCC2=C(C1)NC3=CC=CC=C23","JOFKCNJIUXPJAC-UHFFFAOYSA-N","121896",NA,"PDBC16573","683435","Present"
-"2-Morpholin-4-yl-4-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Morpholin-4-yl-4-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","COC1=CC(=CC(=C1OC)OC)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)N4CCOCC4","YSXFMKXQJQSBPM-UHFFFAOYSA-N","54613336",NA,"PDBC16574","748707","Present"
-"2-Morpholin-4-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate","","","","","","","","","","","","","","","","","","","","2-Morpholin-4-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate","","C=CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=O)OCCN3CCOCC3)[N+](=O)[O-]","KYKQRDAMYBRWGN-VMPITWQZSA-N","6149701",NA,"PDBC16575","271256","Present"
-"2-Morpholino-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","BB 0218584","","C1COCCN1C(C2=CC=CC=C2)C(=O)N","GVSAMGMSPJMQHK-UHFFFAOYSA-N","97862",NA,"PDBC16576","50377","Present"
-"2-Morpholino-5-pyrrolizino-5H-[1]benzopyrano[4,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","2-(Morpholin-4-yl)-5-(pyrrolidin-1-yl)-5h-chromeno[4,3-d]pyrimidine","","C1CCN(C1)C2C3=CN=C(N=C3C4=CC=CC=C4O2)N5CCOCC5","LMAOUUVQFQUAOU-UHFFFAOYSA-N","403284",NA,"PDBC16577","717979","Present"
-"2-N',2-N',6-N',6-N',11-Pentaethylspiro[chromeno[4,3-b]indole-6,9'-xanthene]-2',6'-diamine","","","","","","","","","","","","","","","","","","","","2-N',2-N',6-N',6-N',11-Pentaethylspiro[chromeno[4,3-b]indole-6,9'-xanthene]-2',6'-diamine","","CCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4OC35C6=C(C=C(C=C6)N(CC)CC)OC7=C5C=C(C=C7)N(CC)CC","WEYKBOLXDAIZLE-UHFFFAOYSA-N","371885",NA,"PDBC16578","646468","Present"
-"2-N,2-N-Diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-N,2-N-Diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride","","CCN(CC)C1=NC2=CC=CC=C2C(=N1)N(C)C.Cl","XGVDBVDYDLMALM-UHFFFAOYSA-N","400605",NA,"PDBC16579","712728","Present"
-"2-N,2-N-Diethyl-6-methoxy-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-N,2-N-Diethyl-6-methoxy-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride","","CCN(CC)C1=NC2=C(C=C(C=C2)OC)C(=N1)N(C)C.Cl","GEJFRBVMLDDTAA-UHFFFAOYSA-N","24202617",NA,"PDBC16580","712726","Present"
-"2-N,2-N-Diethyl-7-methoxy-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-N,2-N-Diethyl-7-methoxy-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride","","CCN(CC)C1=NC2=C(C=CC(=C2)OC)C(=N1)N(C)C.Cl","OWHNBYXNUSYISX-UHFFFAOYSA-N","400603",NA,"PDBC16581","712727","Present"
-"2-N,3-N-Bis(4-bromophenyl)quinoxaline-2,3-diamine","","","","","","","","","","","","","","","","","","","","NSC766723","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)Br)NC4=CC=C(C=C4)Br","NVDLICVFRRZMPR-UHFFFAOYSA-N","1579827",NA,"PDBC16582","766723","Present"
-"2-N,3-N-Bis(4-methoxyphenyl)butane-2,3-diimine","","","","","","","","","","","","","","","","","","","","LMEYMDPIGMZWSV-IWGRKNQJSA-N","","CC(=NC1=CC=C(C=C1)OC)C(=NC2=CC=C(C=C2)OC)C","LMEYMDPIGMZWSV-UHFFFAOYSA-N","389336",NA,"PDBC16583","685285","Present"
-"2-N,4-N,4-N,6-N,6-N-Pentamethyl-2-N-[[methyl(prop-2-enyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","2-N,4-N,4-N,6-N,6-N-Pentamethyl-2-N-[[methyl(prop-2-enyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine","","CN(C)C1=NC(=NC(=N1)N(C)CN(C)CC=C)N(C)C","VQCIHIADMKSKGV-UHFFFAOYSA-N","375169",NA,"PDBC16584","654385","Present"
-"2-N,4-N,6-N-Tris(1-adamantyl)-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N~2~,N~4~,N~6~-Tri(1-adamantyl)-1,3,5-triazine-2,4,6-triamine","","C1C2CC3CC1CC(C2)(C3)NC4=NC(=NC(=N4)NC56CC7CC(C5)CC(C7)C6)NC89CC1CC(C8)CC(C1)C9","MFVQBTPSCNUNAI-UHFFFAOYSA-N","394866",NA,"PDBC16585","698955","Present"
-"2-N,4-N,6-Trimethyl-2-N,4-N-diphenylpyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N~2~,N~4~,6-Trimethyl-N~2~,N~4~-diphenyl-2,4-pyrimidinediamine","","CC1=CC(=NC(=N1)N(C)C2=CC=CC=C2)N(C)C3=CC=CC=C3","IEFKOZLYAHNUIZ-UHFFFAOYSA-N","379592",NA,"PDBC16586","664283","Present"
-"2-N,4-N-Bis(2-methyl-3-prop-2-enylbenzimidazol-5-yl)quinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","N4-(1-Allyl-2-methyl-1H-benzimidazol-5-yl)-N2-(3-allyl-2...","","CC1=NC2=C(N1CC=C)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)NC5=CC6=C(C=C5)N=C(N6CC=C)C","MGNSXLDUCHFULH-UHFFFAOYSA-N","73212770",NA,"PDBC16587","764064","Present"
-"2-N,4-N-Bis(3-bromophenyl)-6,7-dimethoxyquinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","2-N,4-N-Bis(3-bromophenyl)-6,7-dimethoxyquinazoline-2,4-diamine","","COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)Br)NC4=CC(=CC=C4)Br)OC","RAGCBYGVDCNHLI-UHFFFAOYSA-N","396723",NA,"PDBC16588","703332","Present"
-"2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine","","COC1=CC(=CC(=C1OC)OC)C2=CC(=NO2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","GYEDNOIGJOEIHP-UHFFFAOYSA-N","45028707",NA,"PDBC16589","743876","Present"
-"2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine","","COC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","QDQKRFKGWHKZND-UHFFFAOYSA-N","45028705",NA,"PDBC16590","743874","Present"
-"2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-[4-(dimethylamino)phenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-[4-(dimethylamino)phenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine","","CN(C)C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","FAONPZMTHQHAJU-UHFFFAOYSA-N","45028708",NA,"PDBC16591","743877","Present"
-"2-N,6-N-Dimethyl-4,4-dioxo-2-N,6-N-diphenyl-1,4,3,5-oxathiadiazine-2,6-diamine","","","","","","","","","","","","","","","","","","","","1,4,3,5-Oxathiadiazine-2,6-diamine, N,N'-dimethyl-N,N'-d...","","CN(C1=CC=CC=C1)C2=NS(=O)(=O)N=C(O2)N(C)C3=CC=CC=C3","GRVATEUMRUOCGH-UHFFFAOYSA-N","300190",NA,"PDBC16592","174518","Present"
-"2-N,8-N-Dihexyl-6-morpholin-4-yl-7H-purine-2,8-diamine","","","","","","","","","","","","","","","","","","","","2-N,8-N-Dihexyl-6-morpholin-4-yl-7H-purine-2,8-diamine","","CCCCCCNC1=NC2=C(N1)C(=NC(=N2)NCCCCCC)N3CCOCC3","WQRISFXPLISUMJ-UHFFFAOYSA-N","344414",NA,"PDBC16593","401304","Present"
-"2-N-(1-Benzyl-2-methylbenzimidazol-5-yl)-4-N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N-(1-benzyl-2-methyl-1H-benzimidazol-5yl)amino)-N'-(4-fl...","","CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)N6CCN(CC6)C","ZPJGCXRVXZJXCO-UHFFFAOYSA-N","127041311",NA,"PDBC16594","771658","Present"
-"2-N-(1-Benzyl-2-methylbenzimidazol-5-yl)-4-N-(4-fluorophenyl)-6-thiophen-2-yl-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N-(1-benzyl-2-methyl-1H-benzimidazol-5-yl)-N'-(4-fluorop...","","CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)C6=CC=CS6","JDJVYRWPSQZWIP-UHFFFAOYSA-N","127041911",NA,"PDBC16595","771657","Present"
-"2-N-(1-Benzyl-2-methylbenzimidazol-5-yl)-6-(4-chlorophenyl)-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N-(1-Benzyl-2-methyl-1H-benzoimidazol-5-yl)-6-(4-chloro-...","","CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)Cl","BIPAKNCFINWKKL-UHFFFAOYSA-N","127041910",NA,"PDBC16596","774861","Present"
-"2-N-(2-Methyl-1-prop-2-enylbenzimidazol-5-yl)-4-N-(2-methyl-3-prop-2-enylbenzimidazol-5-yl)quinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","N4-(3-Allyl-2-methyl-3H-benzoimidazol-5-yl)- N2-(1-Allyl...","","CC1=NC2=C(N1CC=C)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)NC5=CC6=C(C=C5)N(C(=N6)C)CC=C","BDOCUEXZFMDKTJ-UHFFFAOYSA-N","73212771",NA,"PDBC16597","764773","Present"
-"2-N-(3,4-Dichlorophenyl)-4-N-[2-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-N-(3,4-Dichlorophenyl)-4-N-[2-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine;hydrochloride","","CC(CNC1=NC(=NC(=N1)C(Cl)(Cl)Cl)NC2=CC(=C(C=C2)Cl)Cl)N(C)C.Cl","VSJCBCCPCSQEQD-UHFFFAOYSA-N","24198821",NA,"PDBC16598","305774","Present"
-"2-N-(3-Benzyl-2-methylbenzimidazol-5-yl)-4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N-(3-Benzyl-2-methyl-3H-benzoimidazol-5-yl)-N'-(4-fluoro...","","CC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)NCCN6CCOCC6","AJICNWHLWLMLAC-UHFFFAOYSA-N","127041909",NA,"PDBC16599","776062","Present"
-"2-N-(3-Benzyl-2-methylbenzimidazol-5-yl)-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N-(3-Benzyl-2-methyl-3H-benzoimidazol-5-yl)-6-chloro-N'-...","","CC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)Cl","WTWJRYOEMXIJSL-UHFFFAOYSA-N","127041310",NA,"PDBC16600","776052","Present"
-"2-N-(3-Chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","2-N-(3-Chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine","","COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)Cl)N)OC","FKMYGWGXAZJTAQ-UHFFFAOYSA-N","45029225",NA,"PDBC16601","745624","Present"
-"2-N-(4-Aminocyclohexyl)-9-cyclopentyl-6-N-[(6-thiophen-2-ylpyridin-3-yl)methyl]purine-2,6-diamine","","","","","","","","","","","","","","","","","","","","N2-(trans-4-aminocyclohexyl)-9-cyclopentyl-N6-[[6-(2-thi...","","C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=CN=C(C=C5)C6=CC=CS6","AJNPHCMZNHMLAQ-UHFFFAOYSA-N","71817796",NA,"PDBC16602","787978","Present"
-"2-N-(4-Aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)pyridin-3-yl]methyl]purine-2,6-diamine","","","","","","","","","","","","","","","","","","","","N2-(trans-4-aminocyclohexyl)-9-cyclopentyl-N6-[[6-(2-fur...","","C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=CN=C(C=C5)C6=CC=CO6","MDEXMDFOZRJJIN-UHFFFAOYSA-N","73353575",NA,"PDBC16603","787975","Present"
-"2-N-(4-Chlorophenyl)-4-N-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","2-N-(4-Chlorophenyl)-4-N-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine","","C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)C5=NOC(=C5)C6=CC=C(C=C6)Cl","VONFMMUZDRYOQZ-UHFFFAOYSA-N","60147824",NA,"PDBC16604","752480","Present"
-"2-N-(4-Fluorophenyl)-4-N-(2-methyl-3-prop-2-enylbenzimidazol-5-yl)quinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","N4-(3-Allyl-2-methyl-3H-benzoimidazol-5-yl)- N2-(4-fluor...","","CC1=NC2=C(N1CC=C)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)NC5=CC=C(C=C5)F","NVBPDZFQQPGTRB-UHFFFAOYSA-N","73212772",NA,"PDBC16605","764770","Present"
-"2-N-Cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-diamine","","","","","","","","","","","","","","","","","","","","2-N-Cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-di...","","CCC(CNC1=C2C(=CC(=C1)OC)C=CC=N2)NC3CCCCC3","BQBNRUUEFJVRMO-UHFFFAOYSA-N","224810",NA,"PDBC16606","13616","Present"
-"2-N-Cyclohexyl-4-N,6-N-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-N',N''-bis-(4-methoxy-benzyl)-[1,3,5]triazi...","","COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCCC3)NCC4=CC=C(C=C4)OC","DTCQGTUXIBQKPH-UHFFFAOYSA-N","405123",NA,"PDBC16607","722115","Present"
-"2-N-Methyl-6-oxaellipticinium acetate","","","","","","","","","","","","","","","","","","","","2-N-Methyl-6-oxaellipticinium acetate","","CC1=C2C=C[N+](=CC2=C(C3=C1OC4=CC=CC=C43)C)C.CC(=O)[O-]","OATQJNXWSKQCBZ-UHFFFAOYSA-M","10018975",NA,"PDBC16608","638788","Present"
-"2-N-Methyl-6-thiaellipticinum iodide","","","","","","","","","","","","","","","","","","","","2-n-methyl-6-thiaellipticinum iodide","","CC1=C2C=C[N+](=CC2=C(C3=C1SC4=CC=CC=C43)C)C.[I-]","AIVSHKZCEFZYFZ-UHFFFAOYSA-M","367888",NA,"PDBC16609","638066","Present"
-"2-N-[(3,5-Dimethoxyphenyl)methyl]quinoxaline-2,6,8-triamine","","","","","","","","","","","","","","","","","","","","2-[3,5-(dimethoxy)benzylamino]-6,8-diamino quinoxaline","","COC1=CC(=CC(=C1)CNC2=NC3=C(C=C(C=C3N=C2)N)N)OC","ICUNNVSYOYFVHC-UHFFFAOYSA-N","24204415",NA,"PDBC16610","731757","Present"
-"2-N-[(Dimethylamino)methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","2-N-[(Dimethylamino)methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine","","CN(C)CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C","PIEZUFDUCFGWNF-UHFFFAOYSA-N","375168",NA,"PDBC16611","654384","Present"
-"2-N-[2-(3,4-Dichlorophenyl)ethyl]quinoxaline-2,6,8-triamine","","","","","","","","","","","","","","","","","","","","N2-[2-(3,4-Dichloro-phenyl)-ethyl]-quinoxaline-2,6,8-tri...","","C1=CC(=C(C=C1CCNC2=NC3=C(C=C(C=C3N=C2)N)N)Cl)Cl","CUSQJAWTDRGZCW-UHFFFAOYSA-N","45028211",NA,"PDBC16612","741762","Present"
-"2-N-[2-(3,5-Dimethoxyphenyl)ethyl]-3-phenylquinoxaline-2,5,7-triamine","","","","","","","","","","","","","","","","","","","","N2-[2-(3,5-Dimethoxy-phenyl)-ethyl]-3-phenyl-quinoxaline...","","COC1=CC(=CC(=C1)CCNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","LBMYNUBKXLYKQW-UHFFFAOYSA-N","45028164",NA,"PDBC16613","741337","Present"
-"2-N-[2-[(7-Chloroquinolin-4-yl)amino]ethyl]-4-N-(3,5-dimethoxyphenyl)pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N2-(2-((7-chloroquinolin-4-yl)amino)ethyl)-N4-(3,5-dimet...","","COC1=CC(=CC(=C1)NC2=NC(=NC=C2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl)OC","RTKNNLDXXGPNII-UHFFFAOYSA-N","117827349",NA,"PDBC16614","775294","Present"
-"2-N-[2-[(7-Chloroquinolin-4-yl)amino]ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N2-(2-((7-chloroquinolin-4-yl)amino)ethyl)-N4-(4-methoxy...","","COC1=CC=C(C=C1)NC2=NC(=NC=C2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl","GFFZJPONWFJKBU-UHFFFAOYSA-N","117827358",NA,"PDBC16615","775292","Present"
-"2-N-[3-[(7-Chloroquinolin-4-yl)amino]propyl]-4-N-(3,5-dimethoxyphenyl)pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N2-(3-((7-chloroquinolin-4-yl)amino)propyl)-N4-(3,5-dime...","","COC1=CC(=CC(=C1)NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl)OC","YQVRPSGDKSYYRP-UHFFFAOYSA-N","117826055",NA,"PDBC16616","775295","Present"
-"2-N-[3-[(7-Chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N2-(3-((7-chloroquinolin-4-yl)amino)propyl)-6-methyl-N4-...","","CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl","ISBGKDAYEJEMMX-UHFFFAOYSA-N","117826062",NA,"PDBC16617","775290","Present"
-"2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one","","C1=CC=C2C(=C1)C=CC=C2C3=CC(=O)C4=C(N3)N=CC=C4","PPEYNRXCXSJVHV-UHFFFAOYSA-N","385176",NA,"PDBC16618","676180","Present"
-"2-Naphthalen-1-yl-2-phenylacetonitrile","","","","","","","","","","","","","","","","","","","","2-Naphthalen-1-yl-2-phenylacetonitrile","","C1=CC=C(C=C1)C(C#N)C2=CC=CC3=CC=CC=C32","DJHWWEPQEQVCLE-UHFFFAOYSA-N","229828",NA,"PDBC16619","23829","Present"
-"2-Naphthalen-2-yl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-Naphthalen-2-yl-1H-[1,8]naphthyridin-4-one","","C1=CC=C2C=C(C=CC2=C1)C3=CC(=O)C4=C(N3)N=CC=C4","SIAZQYUZGIPPRX-UHFFFAOYSA-N","386569",NA,"PDBC16620","679017","Present"
-"2-Naphthalen-2-yl-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-(2-naphthyl)-1h-quinazolin-4-one","","C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC=C4C(=O)N3","XTMWMJDTSKFKCW-UHFFFAOYSA-N","135408138",NA,"PDBC16621","690277","Present"
-"2-Naphthalen-2-ylsulfanyl-6-(trifluoromethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(2-Naphthylsulfanyl)-6-(trifluoromethyl)quinoxaline","","C1=CC=C2C=C(C=CC2=C1)SC3=CN=C4C=C(C=CC4=N3)C(F)(F)F","DEGAJHOEMFZMLQ-UHFFFAOYSA-N","399537",NA,"PDBC16622","710401","Present"
-"2-Naphthalenebutanoic acid","","","","","","","","","","","","","","","","","","","","2-naphthalenebutyric acid (8ci)","","C1=CC=C2C=C(C=CC2=C1)CCCC(=O)O","HBRVUQIGDLSBCB-UHFFFAOYSA-N","220395",NA,"PDBC16623","3036","Present"
-"2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-","","","","","","","","","","","","","","","","","","","","diathol d","","CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O","FBLAHUMENIHUGG-UHFFFAOYSA-N","67273",NA,"PDBC16624","37188","Present"
-"2-Naphthalenecarboxamide, 3-hydroxy-N-(4-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","naphthol as-d","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O","ANHISTOUUYKCMS-UHFFFAOYSA-N","75160",NA,"PDBC16625","37608","Present"
-"2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy-","","","","","","","","","","","","","","","","","","","","c.i. 37511","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)Cl)O","CUTAMZZNECWJOY-UHFFFAOYSA-N","79513",NA,"PDBC16626","12969","Present"
-"2-Naphthalenecarboxamide, N-(4-ethoxyphenyl)-3-hydroxy-","","","","","","","","","","","","","","","","","","","","naphthol as-vl","","CCOC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O","FYJKEJZGNQVNLC-UHFFFAOYSA-N","78443",NA,"PDBC16627","50690","Present"
-"2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-2-methyl-1-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-2-methyl-1-oxo-, methyl ester","","CC1(CCC2=C(C=CC(=C2C1=O)OC)OC)C(=O)OC","PMASEAAWKYCQKR-UHFFFAOYSA-N","361603",NA,"PDBC16628","624788","Present"
-"2-Naphthalenecarboxylic acid, 4-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-","","","","","","","","","","","","","","","","","","","","2-naphthalenecarboxylic acid, 4-[[2-chloro-5-(trifluorom...","","C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)C(F)(F)F)Cl)O)C(=O)O","LFUPHTJXWMRCJO-UHFFFAOYSA-N","100655",NA,"PDBC16629","339616","Present"
-"2-Naphthalenecarboxylic acid,4'-methylenebis(3-hydroxy-, bis[tris(4-aminophenyl)methyl] ester","","","","","","","","","","","","","","","","","","","","2-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydrox...","","C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)OC(C5=CC=C(C=C5)N)(C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)O)O)C(=O)OC(C8=CC=C(C=C8)N)(C9=CC=C(C=C9)N)C1=CC=C(C=C1)N","GJFCCJVMOXKTOV-UHFFFAOYSA-N","16129848",NA,"PDBC16630","306107","Present"
-"2-Naphthalenecarboxylicacid, 4-[2-(3,4-dimethylphenyl)diazenyl]-3-hydroxy-","","","","","","","","","","","","","","","","","","","","4-[(3,4-Dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid","","CC1=C(C=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)C","MJNILCMODKARFO-UHFFFAOYSA-N","281358",NA,"PDBC16631","134141","Present"
-"2-Naphthalenol, 1-(1-naphthalenylazo)-","","","","","","","","","","","","","","","","","","","","NSC45575///NSC47713","","C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=CC4=CC=CC=C43)O","CYZWPZHRSZNWLS-UHFFFAOYSA-N","75859",NA,"PDBC16632","45575///47713","Present"
-"2-Naphthalenol, 1-[(3-nitrophenyl)azo]-","","","","","","","","","","","","","","","","","","","","meta nitro orange mn","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC(=CC=C3)[N+](=O)[O-])O","IKTQBBCZGHFCLF-UHFFFAOYSA-N","80957",NA,"PDBC16633","45183","Present"
-"2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid","","","","","","","","","","","","","","","","","","","","2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid","","C1OC2=C(O1)C=C3C=C(C=CC3=C2)C4=NC5=CC=CC=C5C(=C4)C(=O)O","DYQGDBZUUIQJCG-UHFFFAOYSA-N","281451",NA,"PDBC16634","134244","Present"
-"2-Naphthoic acid, 6-chloro-3-(1-cyclohexen-1-yl)-4-hydroxy-","","","","","","","","","","","","","","","","","","","","2-Naphthoic acid, 6-chloro-3-(1-cyclohexen-1-yl)-4-hydroxy-","","C1CCC(=CC1)C2=C(C=C3C=CC(=CC3=C2O)Cl)C(=O)O","ICUXOWOKYWQNSI-UHFFFAOYSA-N","372530",NA,"PDBC16635","647709","Present"
-"2-Naphthol, 1-(p-chlorophenylazo)-","","","","","","","","","","","","","","","","","","","","2-Naphthol, 1-(p-chlorophenylazo)-","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)Cl)O","YDEBPHALQZHQLZ-UHFFFAOYSA-N","250860",NA,"PDBC16636","70809","Present"
-"2-Naphthol, 1-(p-fluorophenylazo)-","","","","","","","","","","","","","","","","","","","","2-Naphthol, 1-(p-fluorophenylazo)-","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)F)O","IVVQQRFRRJBPRA-UHFFFAOYSA-N","239844",NA,"PDBC16637","45536","Present"
-"2-Naphthylidene benzoylacetonitrile","","","","","","","","","","","","","","","","","","","","2-Naphthylidene benzoylacetonitrile","","C1=CC=C(C=C1)C(=O)C(=CC2=CC3=CC=CC=C3C=C2)C#N","TZCBIHHGIIGHTO-CPNJWEJPSA-N","5351392",NA,"PDBC16638","643186","Present"
-"2-Nitro-(2'-methyl-4'N,N-bis-2'-cyanoethylamino) azobenzene","","","","","","","","","","","","","","","","","","","","2-Nitro-(2'-methyl-4'N,N-bis-2'-cyanoethylamino) azobenzene","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=CC=C2[N+](=O)[O-]","DDIRYQQRNWLODI-UHFFFAOYSA-N","365295",NA,"PDBC16639","632846","Present"
-"2-Nitro-1,2-thiazolidine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","Isothiazolidine,2-nitro-,1,1-dioxide","","C1CN(S(=O)(=O)C1)[N+](=O)[O-]","SJFSWZZKIHLRNW-UHFFFAOYSA-N","363423",NA,"PDBC16640","628334","Present"
-"2-Nitro-1-[(4-deoxy-4-bromoethoxy)methyl]imidozole","","","","","","","","","","","","","","","","","","","","2-Nitro-1-[(4-deoxy-4-bromoethoxy)methyl]imidozole","","C1=CN(C(=N1)[N+](=O)[O-])COCCBr","UORNLQXZZQBIGN-UHFFFAOYSA-N","368128",NA,"PDBC16641","638471","Present"
-"2-Nitro-1-[(4-deoxy-4-fluoroethoxy)methyl]imidozole","","","","","","","","","","","","","","","","","","","","2-Nitro-1-[(4-deoxy-4-fluoroethoxy)methyl]imidozole","","C1=CN(C(=N1)[N+](=O)[O-])COCCF","UNHGJBYNZSMFEH-UHFFFAOYSA-N","368129",NA,"PDBC16642","638472","Present"
-"2-Nitro-1-[(4-deoxy-4-iodoethoxy)methyl]imidozole","","","","","","","","","","","","","","","","","","","","2-Nitro-1-[(4-deoxy-4-iodoethoxy)methyl]imidozole","","C1=CN(C(=N1)[N+](=O)[O-])COCCI","ZMQBYSCWADCHDO-UHFFFAOYSA-N","368130",NA,"PDBC16643","638473","Present"
-"2-Nitro-1-phenylpropan-1-ol","","","","","","","","","","","","","","","","","","","","2-Nitro-1-phenylpropan-1-ol","","CC(C(C1=CC=CC=C1)O)[N+](=O)[O-]","JGYVPZIKTZGAAD-UHFFFAOYSA-N","226118",NA,"PDBC16644","16258","Present"
-"2-Nitro-2-(1-phenylsulfanylethyl)propane-1,3-diol","","","","","","","","","","","","","","","","","","","","2-Nitro-2-(1-phenylsulfanylethyl)propane-1,3-diol","","CC(C(CO)(CO)[N+](=O)[O-])SC1=CC=CC=C1","XUZIWQRNOYKHCT-UHFFFAOYSA-N","362957",NA,"PDBC16645","627448","Present"
-"2-Nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]","","","","","","","","","","","","","","","","","","","","2-Nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]","","C1=CC=C(C=C1)C2C(C23C4=CC=CC=C4C5=CC=CC=C35)[N+](=O)[O-]","LWKKJTAKWDOTEK-UHFFFAOYSA-N","282082",NA,"PDBC16646","135168","Present"
-"2-Nitro-4-(3,1'-piperidinyl-2-hydroxypropoxy)aniline. Hydrochloride","","","","","","","","","","","","","","","","","","","","2-Nitro-4-(3,1'-piperidinyl-2-hydroxypropoxy)aniline. Hy...","","C1CCN(CC1)CC(O)OCC2=CC(=C(C=C2)N)[N+](=O)[O-].Cl","FCBXUBSCBXADMS-UHFFFAOYSA-N","363733",NA,"PDBC16647","628914","Present"
-"2-Nitro-4-(3-1'-piperidinyl-2-hydroxypropoxy)acetanilide","","","","","","","","","","","","","","","","","","","","2-Nitro-4-(3-1'-piperidinyl-2-hydroxypropoxy)acetanilide","","CC(=O)NC1=C(C=C(C=C1)COC(CN2CCCCC2)O)[N+](=O)[O-]","SBSAPGGSRJWVNA-UHFFFAOYSA-N","363732",NA,"PDBC16648","628913","Present"
-"2-Nitro-4-methylphenyl 4-methylphenyl sulfone","","","","","","","","","","","","","","","","","","","","2NO2,4MePh-SO2-4MePh","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C)[N+](=O)[O-]","CQUNYLYDRYDFMB-UHFFFAOYSA-N","371686",NA,"PDBC16649","646124","Present"
-"2-Nitro-4-prop-2-enoxyaniline","","","","","","","","","","","","","","","","","","","","4-Allyloxy-2-nitro-aniline","","C=CCOC1=CC(=C(C=C1)N)[N+](=O)[O-]","BXGQPPPKKZBCCH-UHFFFAOYSA-N","358073",NA,"PDBC16650","617852","Present"
-"2-Nitro-5-prop-2-enylpyrido[1,2-a]benzimidazol-5-ium;bromide","","","","","","","","","","","","","","","","","","","","5-Allyl-2-nitro-pyrido[2,1-b]benzimidazol-10-ium bromide","","C=CC[N+]1=C2C=CC(=CN2C3=CC=CC=C31)[N+](=O)[O-].[Br-]","NJNABJNHLAWGSZ-UHFFFAOYSA-M","392267",NA,"PDBC16651","692408","Present"
-"2-Nitro-6,11-dihydroindazolo[1,2-b]phthalazin-13-one","","","","","","","","","","","","","","","","","","","","2-Nitro-6H-indazolo[1,2-b]phthalazine-13(11H)-one","","C1C2=CC=CC=C2CN3N1C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]","FVPLXZNGDLDLLQ-UHFFFAOYSA-N","384989",NA,"PDBC16652","675816","Present"
-"2-Nitro-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one","","","","","","","","","","","","","","","","","","","","2-Nitro-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one","","C1CCN2C(=O)C3=C(N2C1)C=CC(=C3)[N+](=O)[O-]","UUSHTPIHVYIWFI-UHFFFAOYSA-N","385000",NA,"PDBC16653","675831","Present"
-"2-Nitro-6,7-dihydrochromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","2-Nitro-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran","","C1C2=C(C3=C(C=CC(=C3)[N+](=O)[O-])OC2)OC4=CC=CC=C41","LUFKXODGVTXSFK-UHFFFAOYSA-N","387607",NA,"PDBC16654","681616","Present"
-"2-Nitro-6,7-dihydroindolo[1,2-c][3]benzazepin-13-one","","","","","","","","","","","","","","","","","","","","2-Nitro-6,7-dihydroindolo[1,2-c][3]benzazepin-13-one","","C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=CC4=CC=CC=C41","BQXYBAAHTMPEAF-UHFFFAOYSA-N","384992",NA,"PDBC16655","675819","Present"
-"2-Nitro-6-{(E)-[2-(quinolin-2-yl)hydrazinylidene]methyl}phenol","","","","","","","","","","","","","","","","","","","","2-nitro-6-((quinolin-2(1H)-ylidenehydrazono)methyl)phenol","","C1=CC=C2C(=C1)C=CC(=N2)NN=CC3=C(C(=CC=C3)[N+](=O)[O-])O","RLGCDBYMJUKHRX-LICLKQGHSA-N","135443556",NA,"PDBC16656","168468","Present"
-"2-Nitro-7,12-dihydro-6H-indazolo[2,1-b][2,3]benzodiazepin-14-one","","","","","","","","","","","","","","","","","","","","2-Nitro-7,12-dihydro-6H-indazolo[2,1-b][2,3]benzodiazepin-14-one","","C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=CC=C41","QDEKYBKEUURNPN-UHFFFAOYSA-N","383721",NA,"PDBC16657","672150","Present"
-"2-Nitro-7,8,9,10-tetrahydro-6H-diazepino[1,2-a]indazol-12-one","","","","","","","","","","","","","","","","","","","","2-Nitro-7,8,9,10-tetrahydro-6H-diazepino[1,2-a]indazol-12-one","","C1CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC1","FXWLITZBMJHUCM-UHFFFAOYSA-N","385001",NA,"PDBC16658","675832","Present"
-"2-Nitro-7-methoxynaphtho[2,1-b]furan","","","","","","","","","","","","","","","","","","","","r 7000","","COC1=CC2=C(C=C1)C3=C(C=C2)OC(=C3)[N+](=O)[O-]","BRRIJZQYTOFDAF-UHFFFAOYSA-N","53424",NA,"PDBC16659","329223","Present"
-"2-Nitro-8,13-diaza-8H-dibenz[a,de]anthracene","","","","","","","","","","","","","","","","","","","","17-Nitro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene","","C1=CC=C2C(=C1)C3=C4C(=N2)C=CC=C4C5=C(N3)C=C(C=C5)[N+](=O)[O-]","SAHWNOIFTROCTQ-UHFFFAOYSA-N","438794",NA,"PDBC16660","670694","Present"
-"2-Nitro-8-methoxynaphtho(2,1-b)furan","","","","","","","","","","","","","","","","","","","","Naphtho[2,1-b]furan, 8-methoxy-2-nitro-","","COC1=CC2=C(C=C1)C=CC3=C2C=C(O3)[N+](=O)[O-]","GUDGYQZVOAXJLS-UHFFFAOYSA-N","53425",NA,"PDBC16661","329225","Present"
-"2-Nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide","","","","","","","","","","","","","","","","","","","","2-Nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide","","C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=C(C=C4)NC(=O)C5=CC=CC=C5[N+](=O)[O-]","RFGISXPJCQEKJY-UHFFFAOYSA-N","3809354",NA,"PDBC16662","622918","Present"
-"2-Nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-8-yl)benzamide","","","","","","","","","","","","","","","","","","","","2-Nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-8-yl)benzamide","","C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=CC=C4NC(=O)C5=CC=CC=C5[N+](=O)[O-]","AHKQFRJCCPDNGG-UHFFFAOYSA-N","4435439",NA,"PDBC16663","622919","Present"
-"2-Nitro-N-(3-(2-nitro-1H-imidazol-1-yl)propyl)-1H-imidazole-1-propanamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-nitroimidazol-1H-yl)propyl]-3-(2-nitroimidazol-1...","","C1=CN(C(=N1)[N+](=O)[O-])CCCNC(=O)CCN2C=CN=C2[N+](=O)[O-]","QKWIUUWNGGRAKM-UHFFFAOYSA-N","375692",NA,"PDBC16664","655550","Present"
-"2-Nitro[1]benzothiopyrano[4,3-b]indol-11-ium perchlorate","","","","","","","","","","","","","","","","","","","","11H-[1]Benzothiopyrano[4,3-b]indol-5-ium, 2-nitro-, perc...","","C1=CC=C2C(=C1)C3=CSC4=C(C3=[NH+]2)C=C(C=C4)[N+](=O)[O-].[O-]Cl(=O)(=O)=O","NSTPFLLYESDOJI-UHFFFAOYSA-N","20832427",NA,"PDBC16665","150762","Present"
-"2-Nitroacridine","","","","","","","","","","","","","","","","","","","","2-Nitroacridine","","C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)[N+](=O)[O-]","VAPQAGMSICPBKJ-UHFFFAOYSA-N","298500",NA,"PDBC16666","170669","Present"
-"2-Nitrobenzamide","","","","","","","","","","","","","","","","","","","","wln: zvr bnw","","C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-]","KLGQWSOYKYFBTR-UHFFFAOYSA-N","11876",NA,"PDBC16667","407995","Present"
-"2-Nitrofuro[3,2-e][1]benzofuran","","","","","","","","","","","","","","","","","","","","2-Nitrofuro[3,2-e][1]benzofuran","","C1=CC2=C(C=C(O2)[N+](=O)[O-])C3=C1OC=C3","CIZQUNGDZXJWAU-UHFFFAOYSA-N","332389",NA,"PDBC16668","329125","Present"
-"2-Nitroindolo[2,1-b]quinazoline-6,12-dione","","","","","","","","","","","","","","","","","","","","ARONIS020095","","C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N23","UTXCTALMRHFUAD-UHFFFAOYSA-N","336271",NA,"PDBC16669","349856","Present"
-"2-Nitronaphtho(2,1-b)furan","","","","","","","","","","","","","","","","","","","","R6597","","C1=CC=C2C(=C1)C=CC3=C2C=C(O3)[N+](=O)[O-]","HXRMBVOCHDEAQH-UHFFFAOYSA-N","50354",NA,"PDBC16670","329124","Present"
-"2-Nitrophenanthrene-9,10-dione","","","","","","","","","","","","","","","","","","","","9,10-Phenanthrenedione, 2-nitro- (9CI)","","C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O","KNAXWOBOCVVMST-UHFFFAOYSA-N","94860",NA,"PDBC16671","5425","Present"
-"2-Nitrophenyl 4-methoxyphenyl sulfide","","","","","","","","","","","","","","","","","","","","2NO2Ph-S-4MeOPh","","COC1=CC=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-]","XTICKEODMBAWOV-UHFFFAOYSA-N","361291",NA,"PDBC16672","624233","Present"
-"2-Nitrophenyl 4-methoxyphenyl sulfone","","","","","","","","","","","","","","","","","","","","2NO2Ph-SO2-4MeOPh","","COC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","DKABUUUQBRVEAB-UHFFFAOYSA-N","361292",NA,"PDBC16673","624234","Present"
-"2-Nitroso-1-naphthol","","","","","","","","","","","","","","","","","","","",".beta.-nitrosonaphthol","","C1=CC=C2C(=C1)C=CC(=C2O)N=O","SYUYTOYKQOAVDW-UHFFFAOYSA-N","8592",NA,"PDBC16674","5034","Present"
-"2-Norbornanone, 3-(2-chloro-1-chlorodifluoromethyl-2,2-difluoroethylidene)-","","","","","","","","","","","","","","","","","","","","Bicyclo[2.2.1]heptan-2-one, 3-[2-chloro-1-(chlorodifluor...","","C1CC2CC1C(=C(C(F)(F)Cl)C(F)(F)Cl)C2=O","OFBNFLKOUJGNRK-UHFFFAOYSA-N","98712",NA,"PDBC16675","162062","Present"
-"2-O,4-O-Isopropylidene-D-talose trimethylene dithioacetal","","","","","","","","","","","","","","","","","","","","NSC699024","","CC1(OC(C(C(O1)C(CO)O)O)C2SCCCS2)C","IKGFMIIHNKJQTL-KATARQTJSA-N","394923",NA,"PDBC16676","699024","Present"
-"2-O-Benzyl 6-O-methyl (6R)-6-(1H-indol-2-yl)-8-methoxy-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","2-O-Benzyl 6-O-methyl (6R)-6-(1H-indol-2-yl)-8-methoxy-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate","","COC1=CC2C(CC1CN2C(=O)OCC3=CC=CC=C3)(C4=CC5=CC=CC=C5N4)C(=O)OC","IHCURYDNWSQQIV-SVIIMATRSA-N","396983",NA,"PDBC16677","704220","Present"
-"2-O-Benzyl 6-O-methyl (6R)-6-(1H-indol-2-yl)-8-oxo-2-azabicyclo[2.2.2]octane-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","2-O-Benzyl 6-O-methyl (6R)-6-(1H-indol-2-yl)-8-oxo-2-azabicyclo[2.2.2]octane-2,6-dicarboxylate","","COC(=O)C1(CC2CN(C1CC2=O)C(=O)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N4","QBCYYDRPRJQXOC-OSHJFMDRSA-N","396980",NA,"PDBC16678","704217","Present"
-"2-O-Benzyl 8-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,3-b']dipyrrole-2,8-dicarboxylic acid, 4,5-...","","CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C(=O)C(=O)C4=C3C(=CN4)C(=O)OC)C(=O)OCC5=CC=CC=C5","JWANQWULRQLQBX-UHFFFAOYSA-N","386816",NA,"PDBC16679","679524","Present"
-"2-O-Benzyl-3-O,4-O-isopropylidene-L-threose","","","","","","","","","","","","","","","","","","","","NSC688890","","CC1(OCC(O1)C(C=O)OCC2=CC=CC=C2)C","MFIFPWKJAXINAJ-STQMWFEESA-N","390832",NA,"PDBC16680","688890","Present"
-"2-Octene,6,7-trichloro-7-methyl-","","","","","","","","","","","","","","","","","","","","2-Octene, 1-bromo-3-(bromomethyl)-2,6,7-trichloro-7-methyl-","","CC(C)(C(CCC(=C(CBr)Cl)CBr)Cl)Cl","NWPBPKLFGPSJGT-BQYQJAHWSA-N","5468476",NA,"PDBC16681","670807","Present"
-"2-Octyl glyceryl ether","","","","","","","","","","","","","","","","","","","","2-Octylglycerol","","CCCCCCCCOC(CO)CO","CNCADJQPAKJTNP-UHFFFAOYSA-N","372441",NA,"PDBC16682","647555","Present"
-"2-Oxa-6,9-dithiaspiro[3.6]decane","","","","","","","","","","","","","","","","","","","","2-Oxa-6,9-dithiaspiro[3.6]decane","","C1CSCC2(COC2)CS1","MNQKLLZWHXJLLI-UHFFFAOYSA-N","373723",NA,"PDBC16683","650625","Present"
-"2-Oxazolidinone, 3-ethenyl-4,5-diphenyl-","","","","","","","","","","","","","","","","","","","","NSC648852///NSC648853","","C=CN1C(C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3","YMWLLIXQZQMQKV-UHFFFAOYSA-N","373025",NA,"PDBC16684","648852///648853","Present"
-"2-Oxido-3,4-bis(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)-1,2,5-oxadiazol-2-ium","","","","","","","","","","","","","","","","","","","","2-Oxido-3,4-bis(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)-1,2,5-oxadiazol-2-ium","","C1=CC=C(C=C1)C2=NO[N+](=O)C2=C3C(=NON3[O-])C4=[N+](ON=C4C5=CC=CC=C5)[O-]","VJRYFZKGWPPSFC-UHFFFAOYSA-N","383766",NA,"PDBC16685","672210","Present"
-"2-Oxido-3-(piperidin-1-ylmethyl)-4-aza-2-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene","","","","","","","","","","","","","","","","","","","","Indeno[1,2,3-de]quinazoline, 2-(1-piperidinylmethyl)-, 1...","","C1CCN(CC1)CC2=NC3=CC=CC4=C3C(=[N+]2[O-])C5=CC=CC=C45","XLBPYZGSLNDDSB-UHFFFAOYSA-N","3246550",NA,"PDBC16686","194598","Present"
-"2-Oxo-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine-8-carboxamide","","","","","","","","","","","","","","","","","","","","2-Oxo-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine-8-carboxamide","","C1CN2C=NC(=C2NC1=O)C(=O)N","NIFCQJMXJDJZPB-UHFFFAOYSA-N","361518",NA,"PDBC16687","624641","Present"
-"2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","AMOT0413","","C1=CC2=C(C=C1C(=O)O)OC(=O)N2","BZRKWTCIDCRBMY-UHFFFAOYSA-N","391472",NA,"PDBC16688","690677","Present"
-"2-Oxo-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Oxo-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide","","C1=CC2=C(C(C(=O)O2)C(=O)N)N=C1","VRJKLQPIXLRHJF-UHFFFAOYSA-N","362167",NA,"PDBC16689","625745","Present"
-"2-Oxo-2-(2-thienyl)ethylphosphonic acid","","","","","","","","","","","","","","","","","","","","2-Oxo-2-(2-thienyl)ethylphosphonic acid","","C1=CSC(=C1)C(=O)CP(=O)(O)O","BBYVTDZBKUXZSK-UHFFFAOYSA-N","374572",NA,"PDBC16690","652546","Present"
-"2-Oxo-2-(4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-Oxo-2-(4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)acetamide","","C1CC2=C(C(=O)C1C(=O)C(=O)N)SC3=CC=CC=C3N2","FLTYAVOZCDPFHA-UHFFFAOYSA-N","371863",NA,"PDBC16691","646383","Present"
-"2-Oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)-N-(3-(trifluoromethyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-Oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)-N-(3-(trifluoromethyl)phenyl)acetamide","","C1=CC(=CC(=C1)NC(=O)C(=O)C2C(=O)NC(=S)N2)C(F)(F)F","OGOXFBDSAVPZJB-UHFFFAOYSA-N","3004339",NA,"PDBC16692","646781","Present"
-"2-Oxo-2H-benzo[h]chromene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Oxo-2H-benzo[h]chromene-3-carboxylic acid","","C1=CC=C2C(=C1)C=CC3=C2OC(=O)C(=C3)C(=O)O","HCZYKDRIXYWMQG-UHFFFAOYSA-N","271640",NA,"PDBC16693","115549","Present"
-"2-Oxo-2H-chromen-3-ylphosphonic acid","","","","","","","","","","","","","","","","","","","","2-Oxo-2H-chromen-3-ylphosphonic acid","","C1=CC=C2C(=C1)C=C(C(=O)O2)P(=O)(O)O","JWJVZTRWTJHSOG-UHFFFAOYSA-N","265771",NA,"PDBC16694","102267","Present"
-"2-Oxo-3,4-dihydrochromene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Oxo-3-chromanecarboxylic acid","","C1C(C(=O)OC2=CC=CC=C21)C(=O)O","MBUFGQWXDBCBSX-UHFFFAOYSA-N","381449",NA,"PDBC16695","668037","Present"
-"2-Oxo-3-(2-oxopropyl)-2,3-dihydro-1H-indol-3-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate","","","","","","","","","","","","","","","","","","","","(3-Acetonyl-2-oxo-indolin-3-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate","","CC(=CC1C(C1(C)C)C(=O)OC2(C3=CC=CC=C3NC2=O)CC(=O)C)C","AYRGLPVOHJUCOU-UHFFFAOYSA-N","380254",NA,"PDBC16696","665734","Present"
-"2-Oxo-4,6-diphenyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC640221///NSC640222","","C1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CC=C4","JPIGUWCWXYFGRU-UHFFFAOYSA-N","368877",NA,"PDBC16697","640221///640222","Present"
-"2-Oxo-4-(beta-oxophenethyl)azetidine-1-acetic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","2-Oxo-4-(beta-oxophenethyl)azetidine-1-acetic acid tert-butyl ester","","CC(C)(C)OC(=O)CN1C(CC1=O)CC(=O)C2=CC=CC=C2","OIADQEMDTKMPCS-UHFFFAOYSA-N","400570",NA,"PDBC16698","712693","Present"
-"2-Oxo-4-(methylthio)-6-(benzofuran-2-yl)-2H-pyran-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(1-Benzofuran-2-yl)-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile","","CSC1=C(C(=O)OC(=C1)C2=CC3=CC=CC=C3O2)C#N","DYBANZPZJWBXCI-UHFFFAOYSA-N","360615",NA,"PDBC16699","622920","Present"
-"2-Oxo-4-(pyridin-1-ium-1-ylmethyl)chromene-3-carbonitrile;iodide","","","","","","","","","","","","","","","","","","","","1-[(3-Cyano-2-oxo-2H-chromen-4-yl)methyl]pyridinium iodide","","C1=CC=[N+](C=C1)CC2=C(C(=O)OC3=CC=CC=C32)C#N.[I-]","WJPSHKAUODCUDJ-UHFFFAOYSA-M","372762",NA,"PDBC16700","648378","Present"
-"2-Oxo-4-phenyl-1,3,4-tetrahydro-benz[4,5]imidazo[1,2-a]pyr imidine-3-carboxaldehyde","","","","","","","","","","","","","","","","","","","","2-Oxo-4-phenyl-1,2,3,4-tetrahydro-benz[4,5]imidazo[1,2-a...","","C1=CC=C(C=C1)C2C(C(=O)NC3=NC4=CC=CC=C4N23)C=O","GEBCMIXSWGTRGO-UHFFFAOYSA-N","405423",NA,"PDBC16701","722730","Present"
-"2-Oxo-4-phenyl-6-(P-tolyl)-1,2-dihydropyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Oxo-4-phenyl-6-(P-tolyl)-1,2-dihydropyridine-3-carbonitrile","","CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CC=C3","HKIFSTBWORQONB-UHFFFAOYSA-N","368862",NA,"PDBC16702","640201","Present"
-"2-Oxo-5-(3-oxobutyl)-4,5-diphenyl-2,5-dihydro-3-furancarbonitrile","","","","","","","","","","","","","","","","","","","","2-Oxo-5-(3-oxobutyl)-4,5-diphenyl-2,5-dihydro-3-furancarbonitrile","","CC(=O)CCC1(C(=C(C(=O)O1)C#N)C2=CC=CC=C2)C3=CC=CC=C3","QFVIUGHNVMVRDH-UHFFFAOYSA-N","364128",NA,"PDBC16703","629798","Present"
-"2-Oxo-6-(phenoxycarbonylamino)chromene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Oxo-6-(phenoxycarbonylamino)chromene-3-carboxylic acid","","C1=CC=C(C=C1)OC(=O)NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)O","YIYAZOGKALLWEZ-UHFFFAOYSA-N","252683",NA,"PDBC16704","74860","Present"
-"2-Oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide","","","","","","","","","","","","","","","","","","","","2-Oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide","","C1=CC=C(C=C1)C=C=NC(=O)C(=O)C=C=NC2=CC=CC=C2","DDGJLZWYTNCSEI-UHFFFAOYSA-N","238775",NA,"PDBC16705","43308","Present"
-"2-Oxo-N-(3-(trifluoromethyl)phenyl)-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","2-Oxo-N-(3-(trifluoromethyl)phenyl)-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","C1=CC(=CC(=C1)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)C(F)(F)F","CCIYJTZCSKZVFG-UHFFFAOYSA-N","371855",NA,"PDBC16706","646375","Present"
-"2-Oxo-N-(6-((oxo(4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)acetyl)amino)-2-pyridinyl)-2-(4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-Oxo-N-[6-[[2-oxo-2-(4-oxo-1,2,3,10-tetrahydrophenothiazin-3-yl)acetyl]amino]pyridin-2-yl]-2-(4-oxo-1,2,3,10-tetrahydrophenothiazin-3-yl)acetamide","","C1CC2=C(C(=O)C1C(=O)C(=O)NC3=NC(=CC=C3)NC(=O)C(=O)C4CCC5=C(C4=O)SC6=CC=CC=C6N5)SC7=CC=CC=C7N2","BCWGWBIOGFCQLS-UHFFFAOYSA-N","373364",NA,"PDBC16707","649579","Present"
-"2-Oxo-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carbothioamide","","","","","","","","","","","","","","","","","","","","2-Oxo-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carbothioamide","","C1CN(CCN1CC2CN(C(=O)O2)C(=S)NC3=CC=CC=C3)C4=CC=CC=C4","ALXVQWGAFUHBOD-UHFFFAOYSA-N","3005316",NA,"PDBC16708","690607","Present"
-"2-Oxo-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-Oxo-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carboxamide","","C1CN(CCN1CC2CN(C(=O)O2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4","XFOSCSDXUYQABM-UHFFFAOYSA-N","394339",NA,"PDBC16709","697708","Present"
-"2-Oxobicyclo[2.2.1]heptane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","CS-0101291","","C1CC2(CC1CC2=O)C(=O)O","ZKMOOBXRINLMKZ-UHFFFAOYSA-N","382538",NA,"PDBC16710","670148","Present"
-"2-Oxoglutaric acid","","","","","","","","","","","","","","","","","","","","alphaketoglutaric acid","","C(CC(=O)O)C(=O)C(=O)O","KPGXRSRHYNQIFN-UHFFFAOYSA-N","51",NA,"PDBC16711","17391","Present"
-"2-Oxohexahydrocyclopropa[cd]pentalene-4b(1H)-carbaldehyde","","","","","","","","","","","","","","","","","","","","oxo[?]carbaldehyde","","C1CC2C3C2(C1CC3=O)C=O","GEIHNNGRDSIJKQ-UHFFFAOYSA-N","390957",NA,"PDBC16712","689210","Present"
-"2-Oxopropyl 3-oxobutanoate","","","","","","","","","","","","","","","","","","","","2-Oxopropyl 3-oxobutanoate","","CC(=O)CC(=O)OCC(=O)C","GQOFREXOMQUSHS-UHFFFAOYSA-N","361160",NA,"PDBC16713","623991","Present"
-"2-Pentadecylimidazoline","","","","","","","","","","","","","","","","","","","","7QL9QX6HJK","","CCCCCCCCCCCCCCCC1=NCCN1","KSJKFYTZUCKVFT-UHFFFAOYSA-N","224765",NA,"PDBC16714","13535","Present"
-"2-Phenacylsulfanyl-1H-pyrimidin-6-one;hydrobromide","","","","","","","","","","","","","","","","","","","","2-Phenacylsulfanyl-1H-pyrimidin-6-one;hydrobromide","","C1=CC=C(C=C1)C(=O)CSC2=NC=CC(=O)N2.Br","LWNRLGBHGHNYFM-UHFFFAOYSA-N","24199742",NA,"PDBC16715","340244","Present"
-"2-Phenethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole","","","","","","","","","","","","","","","","","","","","2-Phenethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole","","C1CN(CC2=C1NC3=CC=CC=C23)CCC4=CC=CC=C4","OVZMZCMVCPKOQR-UHFFFAOYSA-N","379998",NA,"PDBC16716","665300","Present"
-"2-Phenothiazin-10-yl-1-piperazin-1-ylethanone","","","","","","","","","","","","","","","","","","","","2-(10H-Phenothiazin-10-yl)-1-(piperazin-1-yl)ethanone","","C1CN(CCN1)C(=O)CN2C3=CC=CC=C3SC4=CC=CC=C42","KERGMAWZXBYECN-UHFFFAOYSA-N","377185",NA,"PDBC16717","658412","Present"
-"2-Phenothiazin-10-ylethyl N-(3,4-dichlorophenyl)carbamate","","","","","","","","","","","","","","","","","","","","2-Phenothiazin-10-ylethyl N-(3,4-dichlorophenyl)carbamate","","C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCOC(=O)NC4=CC(=C(C=C4)Cl)Cl","SMYBGEJBUGCEQY-UHFFFAOYSA-N","263444",NA,"PDBC16718","97889","Present"
-"2-Phenoxy-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-5-amine","","","","","","","","","","","","","","","","","","","","2-Phenoxy-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-5-amine","","C1=CC=C(C=C1)ON2C=NC3=C(N=CN=C3N2)N","KMXAMFUXCMLMHE-UHFFFAOYSA-N","361708",NA,"PDBC16719","624949","Present"
-"2-Phenoxy-3,4-dihydropyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide","","","","","","","","","","","","","","","","","","","","2-Phenoxy-3,4-dihydropyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide","","C1C2=C(C=CC=N2)OP(=O)(N1)OC3=CC=CC=C3","ZJKCHHXWFJZLEF-UHFFFAOYSA-N","395845",NA,"PDBC16720","700848","Present"
-"2-Phenoxy-N'-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","stk066211","","C1=CC=C(C=C1)NNC(=O)COC2=CC=CC=C2","JRJRZCFIDWTLGU-UHFFFAOYSA-N","572040",NA,"PDBC16721","768098","Present"
-"2-Phenoxy-N-phenylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","2-Phenoxy-N-phenylbenzenesulfinamide","","C1=CC=C(C=C1)NS(=O)C2=CC=CC=C2OC3=CC=CC=C3","KWYPRTANVQDIMD-UHFFFAOYSA-N","385398",NA,"PDBC16722","676572","Present"
-"2-Phenoxyacetamide","","","","","","","","","","","","","","","","","","","","Phenoxyacetamide","","C1=CC=C(C=C1)OCC(=O)N","AOPRXJXHLWYPQR-UHFFFAOYSA-N","69314",NA,"PDBC16723","1865","Present"
-"2-Phenoxyphenylphosphonic acid","","","","","","","","","","","","","","","","","","","","2-Phenoxyphenylphosphonic acid","","C1=CC=C(C=C1)OC2=CC=CC=C2P(=O)(O)O","QJBGUHKUISPHMW-UHFFFAOYSA-N","380790",NA,"PDBC16724","666508","Present"
-"2-Phenoxypropanohydrazide","","","","","","","","","","","","","","","","","","","","ALBB-002582","","CC(C(=O)NN)OC1=CC=CC=C1","GSFLSJRVNIXWKZ-UHFFFAOYSA-N","381468",NA,"PDBC16725","668055","Present"
-"2-Phenoxyquinoxaline","","","","","","","","","","","","","","","","","","","","2-Phenoxyquinoxaline","","C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2","BSDZLWKEACOABU-UHFFFAOYSA-N","3734282",NA,"PDBC16726","752574","Present"
-"2-Phenyl 3-[(6-ethyl, 5-(4-chlorophenyl) pyrimidin-2-yl)] quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-phenyl 3-[(6-ethyl, 4-amino, 5-(4-chlorophenyl) pyrimi...","","CCC1=C(C(=NC(=N1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)N)C5=CC=C(C=C5)Cl","LDINHMNXBAKQAN-UHFFFAOYSA-N","24202902",NA,"PDBC16727","726195","Present"
-"2-Phenyl-1,2,4-triazaspiro[4.6]undecane-3-thione","","","","","","","","","","","","","","","","","","","","64C9BV8LPJ","","C1CCCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3","ZSEZANMTGPZRIF-UHFFFAOYSA-N","683248",NA,"PDBC16728","328130","Present"
-"2-Phenyl-1,3-benzoxazepin-5-ol","","","","","","","","","","","","","","","","","","","","2-Phenyl-1,3-benzoxazepin-5-ol","","C1=CC=C(C=C1)C2=NC=C(C3=CC=CC=C3O2)O","WBSJEQOIZLCHDQ-UHFFFAOYSA-N","371953",NA,"PDBC16729","646710","Present"
-"2-Phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-5,6-dihydro-4h-pyrrolo[2,3-d]pyridazin-4-one","","C1=CC=C(C=C1)C2=CC3=C(N2)C=NNC3=O","IZHYXMJTXPVIMO-UHFFFAOYSA-N","135426722",NA,"PDBC16730","711309","Present"
-"2-Phenyl-1,8-naphthyridin-4-ol","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-phenyl-","","C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=CC=C3","IPVMHKHKTQYJIL-UHFFFAOYSA-N","377427",NA,"PDBC16731","658870","Present"
-"2-Phenyl-1-(1,3-thiazol-2-yl)ethanamine","","","","","","","","","","","","","","","","","","","","(+-)-.alpha.-Phenylmethyl-2-thiazolemethanamine","","C1=CC=C(C=C1)CC(C2=NC=CS2)N","ADXGZQRJIYRSGK-UHFFFAOYSA-N","369619",NA,"PDBC16732","641531","Present"
-"2-Phenyl-1-(1H-tetrazol-5-yl)-ethylamine","","","","","","","","","","","","","","","","","","","","J3.545.223K","","C1=CC=C(C=C1)CC(C2=NNN=N2)N","NXQBRADSLPEODL-UHFFFAOYSA-N","239705",NA,"PDBC16733","45074","Present"
-"2-Phenyl-1-(phenylsulfonyl)azetidine","","","","","","","","","","","","","","","","","","","","2-phenyl-1-benzene-sulfonylazetidine","","C1CN(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","CYNSTNZCAPLJOW-UHFFFAOYSA-N","362130",NA,"PDBC16734","625705","Present"
-"2-Phenyl-1-benzothiophen-3-ol","","","","","","","","","","","","","","","","","","","","2-Phenyl-1-benzothiophen-3-ol","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)O","RZJLZIHCBJUJJI-UHFFFAOYSA-N","387196",NA,"PDBC16735","680738","Present"
-"2-Phenyl-1-nitro-2-cyclopropene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Nitro-2-phenylcycloprop-2-ene-1-carbonitrile","","C1=CC=C(C=C1)C2=CC2(C#N)[N+](=O)[O-]","NGUQLNHDVPXPRP-UHFFFAOYSA-N","371608",NA,"PDBC16736","646000","Present"
-"2-Phenyl-10,11-dihydro-1H-5,11a-methanocyclopenta[c][1,2,4]triazolo[1,2-a][1,2]diazocine-1,3,9(5H)-trione","","","","","","","","","","","","","","","","","","","","12-Phenyl-10,12,14-triazatetracyclo[7.5.1.01,5.010,14]pentadeca-5,7-diene-4,11,13-trione","","C1CC23CC(C=CC=C2C1=O)N4N3C(=O)N(C4=O)C5=CC=CC=C5","REWBQGXKDPADRT-UHFFFAOYSA-N","361916",NA,"PDBC16737","625351","Present"
-"2-Phenyl-1H-imidazole-4,5-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","1H-Imidazole-4,5-dicarboxylic acid, 2-phenyl- (9CI)","","C1=CC=C(C=C1)C2=NC(=C(N2)C(=O)O)C(=O)O","GTYWKHXMYZVFSU-UHFFFAOYSA-N","221007",NA,"PDBC16738","4623","Present"
-"2-Phenyl-1H-perimidine","","","","","","","","","","","","","","","","","","","","2-phenylperimidine","","C1=CC=C(C=C1)C2=NC3=CC=CC4=C3C(=CC=C4)N2","KXLJLJJNISGKPN-UHFFFAOYSA-N","376354",NA,"PDBC16739","657187","Present"
-"2-Phenyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-Phenyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione 1,1-dioxide","","C1C(S(=O)(=O)C2=CC=CC=C2NC1=S)C3=CC=CC=C3","ICAIOEVSNITUHM-UHFFFAOYSA-N","3005000",NA,"PDBC16740","667459","Present"
-"2-Phenyl-2,3-dihydro-benzothiazole-2-carboxylic acid amide","","","","","","","","","","","","","","","","","","","","2-Phenyl-2,3-dihydro-benzothiazole-2-carboxylic acid amide","","C1=CC=C(C=C1)C2(NC3=CC=CC=C3S2)C(=O)N","MPXTUOXGMAPEPQ-UHFFFAOYSA-N","375077",NA,"PDBC16741","654015","Present"
-"2-Phenyl-2,3-dihydroquinazolin-4(1h)-one","","","","","","","","","","","","","","","","","","","","U 32027","","C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2","BIVGFFFLVZMILM-UHFFFAOYSA-N","270800",NA,"PDBC16742","113764","Present"
-"2-Phenyl-2-(1-pyrrolidinyl)-6-heptenenitrile","","","","","","","","","","","","","","","","","","","","2-Phenyl-2-(1-pyrrolidinyl)-6-heptenenitrile","","C=CCCCC(C#N)(C1=CC=CC=C1)N2CCCC2","ARNNFJXCAAQKKR-UHFFFAOYSA-N","360979",NA,"PDBC16743","623710","Present"
-"2-Phenyl-2-[acetyl(phenethyl)amino]acetonitrile","","","","","","","","","","","","","","","","","","","","2-Phenyl-2-[acetyl(phenethyl)amino]acetonitrile","","CC(=O)N(CCC1=CC=CC=C1)C(C#N)C2=CC=CC=C2","NQROPWLHHQONIN-UHFFFAOYSA-N","387706",NA,"PDBC16744","681735","Present"
-"2-Phenyl-2-[benzoyl(phenethyl)amino]acetonitrile","","","","","","","","","","","","","","","","","","","","Benzamide, N-(.alpha.-cyano-.alpha.-phenylmethyl)- N-(2-...","","C1=CC=C(C=C1)CCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","RBWIHMFKEXHVGZ-UHFFFAOYSA-N","387705",NA,"PDBC16745","681734","Present"
-"2-Phenyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2-Phenyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide","","C1=CC=C(C=C1)N2C(=S)NC3=CC=CC=C3S2(=O)=O","YCBBXWZYJWGATP-UHFFFAOYSA-N","5471378",NA,"PDBC16746","710975","Present"
-"2-Phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione","","","","","","","","","","","","","","","","","","","","Maybridge4_003408","","C1C(SC2=CC=CC=C2NC1=S)C3=CC=CC=C3","FQEWVXXAJZVQAC-UHFFFAOYSA-N","2728652",NA,"PDBC16747","667463","Present"
-"2-Phenyl-3-((2-pyridinylmethyl)sulfinyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-Phenyl-3-((2-pyridinylmethyl)sulfinyl)quinoxaline","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2S(=O)CC4=CC=CC=N4","GZHHJTLCHPDKSZ-UHFFFAOYSA-N","374672",NA,"PDBC16748","652772","Present"
-"2-Phenyl-3-((3-pyridinylmethyl)thio)quinoxaline","","","","","","","","","","","","","","","","","","","","2-Phenyl-3-((3-pyridinylmethyl)thio)quinoxaline","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2SCC4=CN=CC=C4","NREFZJKCZUVKDD-UHFFFAOYSA-N","374671",NA,"PDBC16749","652771","Present"
-"2-Phenyl-3-(2,5-dimethoxyphenyl)acrylonitrile","","","","","","","","","","","","","","","","","","","",".alpha.-Phenyl-2,5-dimethoxy-.alpha.-cinnamonitrile","","COC1=CC(=C(C=C1)OC)C=C(C#N)C2=CC=CC=C2","WLAGJFNKKJZPFZ-GDNBJRDFSA-N","12795165",NA,"PDBC16750","643023","Present"
-"2-Phenyl-3-(2-(1-pyrrolidinyl)phenyl)-1H-indol-1-ol","","","","","","","","","","","","","","","","","","","","2-Phenyl-3-(2-(1-pyrrolidinyl)phenyl)-1H-indol-1-ol","","C1CCN(C1)C2=CC=CC=C2C3=C(N(C4=CC=CC=C43)O)C5=CC=CC=C5","VUSNJUXRMBOHFF-UHFFFAOYSA-N","374516",NA,"PDBC16751","652267","Present"
-"2-Phenyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC4C(C(C(C(O4)CO)O)O)O","MQUQALZOEFOSCP-UHFFFAOYSA-N","363482",NA,"PDBC16752","628406","Present"
-"2-Phenyl-3-methyl-5-(3-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC(=CC=C3)Cl)C#N)C4=CC=CC=C4","PJFYWHDAEKVMST-UHFFFAOYSA-N","398636",NA,"PDBC16753","708786","Present"
-"2-Phenyl-3-methyl-5-(4-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)Cl)C#N)C4=CC=CC=C4","VPJSYPPDCZFZRB-UHFFFAOYSA-N","398635",NA,"PDBC16754","708785","Present"
-"2-Phenyl-3-propyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-3-propylquinolin-4(1H)-one","","CCCC1=C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3","IISAQNOBEIONLH-UHFFFAOYSA-N","382088",NA,"PDBC16755","669447","Present"
-"2-Phenyl-3a,3b,4,5,6,6a,11,11b-octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-Phenyl-3a,3b,4,5,6,6a,11,11b-octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione","","C1CC2C(C1)C3=C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)NC6=CC=CC=C63","MJDPELULEMYNCS-UHFFFAOYSA-N","362436",NA,"PDBC16756","626385","Present"
-"2-Phenyl-3a,3b,4,5,6,7,8,8a,13,13b-decahydro-1H-cyclohepta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-Phenyl-3a,3b,4,5,6,7,8,8a,13,13b-decahydro-1H-cyclohepta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione","","C1CCC2C(CC1)C3=C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)NC6=CC=CC=C63","FSLJXXUBILDXSE-UHFFFAOYSA-N","362439",NA,"PDBC16757","626388","Present"
-"2-Phenyl-3a,3b,4,6,7,7a,12,12b-octahydro-1H-pyrrolo[3,4-a]thiopyrano[3,4-c]carbazole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","2-Phenyl-3a,3b,4,6,7,7a,12,12b-octahydro-1H-pyrrolo[3,4-a]thiopyrano[3,4-c]carbazole-1,3(2H)-dione","","C1CSCC2C1C3=C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)NC6=CC=CC=C63","LXYBVCDNTFPEED-UHFFFAOYSA-N","362914",NA,"PDBC16758","627389","Present"
-"2-Phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","2-Phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","YQDIZAHKTNEAGG-UHFFFAOYSA-N","362448",NA,"PDBC16759","626395","Present"
-"2-Phenyl-3b,4,5,6,7,8,9,9a,14,14b-decahydrocycloocta[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","2-Phenyl-3b,4,5,6,7,8,9,9a,14,14b-decahydrocycloocta[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","C1CCCC2C(CC1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","VGKTVTOFTZGLSR-UHFFFAOYSA-N","362437",NA,"PDBC16760","626386","Present"
-"2-Phenyl-4,6-bis(4-pyridyl)pyridine","","","","","","","","","","","","","","","","","","","","6'-phenyl-4,2':4',4''-terpyridine","","C1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC=NC=C3)C4=CC=NC=C4","FCCCQHYRVKLZHY-UHFFFAOYSA-N","388627",NA,"PDBC16761","683638","Present"
-"2-Phenyl-4-(2-thienyl)-1-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","2-Phenyl-4-thiophen-2-yl-1-thiophen-3-ylbutane-1,4-dione","","C1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)C(=O)C3=CSC=C3","KCZYRYZZEYSWFJ-UHFFFAOYSA-N","395520",NA,"PDBC16762","700210","Present"
-"2-Phenyl-4-(2-thienyl)-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-4-(2-thienyl)-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CS4)C5=CC=CC=C5","MDGMACJYKCJWGC-UHFFFAOYSA-N","388199",NA,"PDBC16763","682767","Present"
-"2-Phenyl-4-(4-chlorophenyl)-5-cyano-6-amino-4H-pyran-3-ylphosphonic acid diethyl ester","","","","","","","","","","","","","","","","","","","","2-Amino-4-(4-chlorophenyl)-5-diethoxyphosphoryl-6-phenyl-4H-pyran-3-carbonitrile","","CCOP(=O)(C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)C3=CC=CC=C3)OCC","AHXKVYQNQSJMHL-UHFFFAOYSA-N","401667",NA,"PDBC16764","715397","Present"
-"2-Phenyl-4-[(Z)-triazol-4-ylidenemethyl]-1,3-oxazol-5-ol","","","","","","","","","","","","","","","","","","","","2-Phenyl-4-[(Z)-triazol-4-ylidenemethyl]-1,3-oxazol-5-ol","","C1=CC=C(C=C1)C2=NC(=C(O2)O)C=C3C=NN=N3","KBZUFIVEYRTTTA-TWGQIWQCSA-N","135478808",NA,"PDBC16765","120804","Present"
-"2-Phenyl-4-aminobenzo[g]pteridine 5,10-dioxide","","","","","","","","","","","","","","","","","","","","2-PHENYLBENZO[G]PTERIDIN-4-AMINE, 5,10-DIOXIDE","","C1=CC=C(C=C1)C2=NC3=[N+](C4=CC=CC=C4[N+](=C3C(=N2)N)[O-])[O-]","YWSUTRFYAQHJFZ-UHFFFAOYSA-N","135468219",NA,"PDBC16766","252041","Present"
-"2-Phenyl-4-pyridin-2-ylbutanoic acid","","","","","","","","","","","","","","","","","","","","2-Phenyl-4-pyridin-2-ylbutanoic acid","","C1=CC=C(C=C1)C(CCC2=CC=CC=N2)C(=O)O","SSRVHSJNWMCPCE-UHFFFAOYSA-N","238363",NA,"PDBC16767","42695","Present"
-"2-Phenyl-4-sulfanylidene-3-azaspiro[5.5]undec-1-ene-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Phenyl-4-sulfanylidene-3-azaspiro[5.5]undec-1-ene-5-carbonitrile","","C1CCC2(CC1)C=C(NC(=S)C2C#N)C3=CC=CC=C3","PUHORIDJEUKDEE-UHFFFAOYSA-N","5471037",NA,"PDBC16768","707695","Present"
-"2-Phenyl-4H-1,4-benzothiazine-3-thione","","","","","","","","","","","","","","","","","","","","2-Phenyl-4H-1,4-benzothiazine-3-thione","","C1=CC=C(C=C1)C2C(=S)NC3=CC=CC=C3S2","OIBQUGLWNLRKKW-UHFFFAOYSA-N","3004999",NA,"PDBC16769","667456","Present"
-"2-Phenyl-4H-[1,4]thiazino[3,2-c]quinoline-3-thione","","","","","","","","","","","","","","","","","","","","1,4-Thiazino[3,2-c]quinoline-3-thione, 2-phenyl-","","C1=CC=C(C=C1)C2C(=S)NC3=C(S2)C4=CC=CC=C4N=C3","MKPMXLAYKDWWLV-UHFFFAOYSA-N","3005006",NA,"PDBC16770","667467","Present"
-"2-Phenyl-5,8-dimethoxyquinoline-4-ol","","","","","","","","","","","","","","","","","","","","5,8-Dimethoxy-2-phenylquinolin-4(1H)-one","","COC1=C2C(=O)C=C(NC2=C(C=C1)OC)C3=CC=CC=C3","QELZRIQFMJFNTO-UHFFFAOYSA-N","380405",NA,"PDBC16771","665927","Present"
-"2-Phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine-4-carboxylic acid","","C1=CC=C(C=C1)C2=NC=C(C(=N2)C(=O)O)C3=NN=NN3C4=CC=CC=C4","YJYKJLTXMYTJDQ-UHFFFAOYSA-N","384188",NA,"PDBC16772","673520","Present"
-"2-Phenyl-5-(1H-pyrrol-2-yl)-4H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-5-(1H-pyrrol-2-yl)-4H-pyrazol-3-one","","C1C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CN3","GYDLKQZKKBEXIK-UHFFFAOYSA-N","392531",NA,"PDBC16773","693047","Present"
-"2-Phenyl-5-(tetrahydro-2H-pyran-2-yloxy)-1,3-dioxane","","","","","","","","","","","","","","","","","","","","2-Phenyl-5-(tetrahydro-2H-pyran-2-yloxy)-1,3-dioxane","","C1CCOC(C1)OC2COC(OC2)C3=CC=CC=C3","LKAOBASWHBEPCP-UHFFFAOYSA-N","390883",NA,"PDBC16774","688994","Present"
-"2-Phenyl-5-[8-(5-phenyl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-Phenyl-5-[8-(5-phenyl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole","","C1=CC=C(C=C1)C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)C4=CC=CC=C4","RONYCJKHCIGODV-UHFFFAOYSA-N","394069",NA,"PDBC16775","697187","Present"
-"2-Phenyl-5H-1,5-benzothiazepine-4-thione","","","","","","","","","","","","","","","","","","","","AO-435/41051496","","C1=CC=C(C=C1)C2=CC(=S)NC3=CC=CC=C3S2","TXZDWZXRCBKQAM-UHFFFAOYSA-N","848842",NA,"PDBC16776","667464","Present"
-"2-Phenyl-5H-naphtho[1,8-bc]furan-5-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-5H-naphtho[1,8-bc]furan-5-one","","C1=CC=C(C=C1)C2=C3C=CC(=O)C4=C3C(=CC=C4)O2","OIBPBAHSVWNURP-UHFFFAOYSA-N","363563",NA,"PDBC16777","628527","Present"
-"2-Phenyl-6,10-dioxaspiro[4.5]dec-3-ene-1,1-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Phenyl-6,10-dioxaspiro[4.5]dec-3-ene-1,1-dicarbonitrile","","C1COC2(C=CC(C2(C#N)C#N)C3=CC=CC=C3)OC1","PICWVYBQSYUNDQ-UHFFFAOYSA-N","361488",NA,"PDBC16778","624525","Present"
-"2-Phenyl-6,11-dihydro-5H-furo[2',3':4,5]pyrrolo[2,1-c][1,4]benzodiazepin-5-one","","","","","","","","","","","","","","","","","","","","15-Phenyl-14-oxa-1,9-diazatetracyclo[9.6.0.03,8.013,17]heptadeca-3,5,7,11,13(17),15-hexaen-10-one","","C1C2=CC=CC=C2NC(=O)C3=CC4=C(N31)C=C(O4)C5=CC=CC=C5","WYKGAGTUIWIKDI-UHFFFAOYSA-N","381007",NA,"PDBC16779","666992","Present"
-"2-Phenyl-6-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-6-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OC4=NN=NN4C5=CC=CC=C5","GMYNLZZNTJORKN-UHFFFAOYSA-N","386037",NA,"PDBC16780","677603","Present"
-"2-Phenyl-6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenoxy)methyl]quinoxaline","","","","","","","","","","","","","","","","","","","","2-Phenyl-6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenoxy)methyl]quinoxaline","","COC1=CC(=CC(=C1OC)OC)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","GRRZLVIPKQMIRO-UHFFFAOYSA-N","389675",NA,"PDBC16781","686052","Present"
-"2-Phenyl-6-piperidin-1-yl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-6-(piperidin-1-yl)quinolin-4(1H)-one","","C1CCN(CC1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4","PONMWSOZLIYVHK-UHFFFAOYSA-N","381130",NA,"PDBC16782","667447","Present"
-"2-Phenyl-6-pyrrolidin-1-yl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-6-(pyrrolidin-1-yl)quinolin-4(1H)-one","","C1CCN(C1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4","OJBHJVPYBHYBSC-UHFFFAOYSA-N","381128",NA,"PDBC16783","667445","Present"
-"2-Phenyl-7-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-7-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC4=NN=NN4C5=CC=CC=C5","AVXWNBOPCKZEEY-UHFFFAOYSA-N","386038",NA,"PDBC16784","677604","Present"
-"2-Phenyl-7-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxalin-5-amine","","","","","","","","","","","","","","","","","","","","2-Phenyl-7-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxalin-5-amine","","COC1=CC(=CC(=C1OC)OC)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","ZQCJMYOXILPVEI-UHFFFAOYSA-N","388334",NA,"PDBC16785","683069","Present"
-"2-Phenyl-7-hydroxy-8-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]-1,3,5-triazine-4(3H)-thione","","","","","","","","","","","","","","","","","","","","8-(3,4-Dimethoxyphenyl)-2-phenyl-4-sulfanylidene-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one","","COC1=C(C=C(C=C1)C2=C3NC(=NC(=S)N3NC2=O)C4=CC=CC=C4)OC","BKKKLEQGOBYLRU-UHFFFAOYSA-N","5471324",NA,"PDBC16786","710458","Present"
-"2-Phenyl-7-methyl-1,8-naphthyridine-4-ol","","","","","","","","","","","","","","","","","","","","Neuro_000382","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3","USYVLFNTOOQIMZ-UHFFFAOYSA-N","5467768",NA,"PDBC16787","658867","Present"
-"2-Phenyl-8-(piperidine-1-carbonyl)-7,8-dihydro-5H-[1,2,4]triazolo[1,2-a]pyridazine-1,3,6-trione","","","","","","","","","","","","","","","","","","","","2-Phenyl-8-(piperidine-1-carbonyl)-7,8-dihydro-5H-[1,2,4]triazolo[1,2-a]pyridazine-1,3,6-trione","","C1CCN(CC1)C(=O)C2CC(=O)CN3N2C(=O)N(C3=O)C4=CC=CC=C4","IGGRILKUTIKDAR-UHFFFAOYSA-N","394244",NA,"PDBC16788","697573","Present"
-"2-Phenyl-8-sulfanyl-4(1H)-quinolinone","","","","","","","","","","","","","","","","","","","","8SH-2Ph-Quinol4one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C(=CC=C3)S","RBUQLDTVPBGGCE-UHFFFAOYSA-N","377398",NA,"PDBC16789","658841","Present"
-"2-Phenyl-9,9a-dihydro-1H,4aH-indeno[1',2':3,4][1,2]diazeto[1,2-a][1,2,4]triazole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","12-Phenyl-10,12,14-triazatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione","","C1C2C(C3=CC=CC=C31)N4N2C(=O)N(C4=O)C5=CC=CC=C5","LHUQGDHDTNVKTL-UHFFFAOYSA-N","391640",NA,"PDBC16790","691126","Present"
-"2-Phenyl-N-[(3S,9R,13S)-2,8,12-trioxo-11-oxa-1,7-diazatricyclo[11.3.0.03,7]hexadecan-9-yl]acetamide","","","","","","","","","","","","","","","","","","","","2-Phenyl-N-[(3S,9R,13S)-2,8,12-trioxo-11-oxa-1,7-diazatricyclo[11.3.0.03,7]hexadecan-9-yl]acetamide","","C1CC2C(=O)OCC(C(=O)N3CCCC3C(=O)N2C1)NC(=O)CC4=CC=CC=C4","SNASQQZXAQOOIZ-IKGGRYGDSA-N","381189",NA,"PDBC16791","667520","Present"
-"2-Phenyl-N-[2-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]ethyl]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-Phenyl-N-[2-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]ethyl]quinoline-4-carboxamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCNCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","KMMHCDBZYFXNIU-UHFFFAOYSA-N","384379",NA,"PDBC16792","674087","Present"
-"2-Phenyl-N-[2-[2-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]ethylamino]ethyl]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-Phenyl-N-[2-[2-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]ethylamino]ethyl]quinoline-4-carboxamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCNCCNCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","ZTTZZTPTFFRXLO-UHFFFAOYSA-N","384381",NA,"PDBC16793","674089","Present"
-"2-Phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-Phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","SJJRPBWGEFLAEB-UHFFFAOYSA-N","384126",NA,"PDBC16794","673414","Present"
-"2-Phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-Phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","UKCDZDJZYKMPAA-UHFFFAOYSA-N","384384",NA,"PDBC16795","674091","Present"
-"2-Phenyl-N-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butyl]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-Phenyl-N-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butyl]quinoline-4-carboxamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","UHOSYLRTJYGKOL-UHFFFAOYSA-N","384380",NA,"PDBC16796","674088","Present"
-"2-Phenyl-N-[6-[(2-phenylquinoline-4-carbonyl)amino]hexyl]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-Phenyl-N-[6-[(2-phenylquinoline-4-carbonyl)amino]hexyl]quinoline-4-carboxamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","KBQKSRBWSOYBTB-UHFFFAOYSA-N","384388",NA,"PDBC16797","674094","Present"
-"2-Phenyl-N-[8-[(2-phenylquinoline-4-carbonyl)amino]octyl]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-Phenyl-N-[8-[(2-phenylquinoline-4-carbonyl)amino]octyl]quinoline-4-carboxamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCCCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","ZFLISLRWWIBXEH-UHFFFAOYSA-N","384387",NA,"PDBC16798","674093","Present"
-"2-Phenyl-oxazolo(4,5-c)quinolin-4-one","","","","","","","","","","","","","","","","","","","","2-Phenyl-oxazolo(4,5-c)quinolin-4-one","","C1=CC=C(C=C1)C2=NC3=C(O2)C4=CC=CC=C4NC3=O","WEVBZMVDUUWBJH-UHFFFAOYSA-N","387468",NA,"PDBC16799","681272","Present"
-"2-Phenylbenzotriazole-4,5-dione oxime","","","","","","","","","","","","","","","","","","","","2-Phenylbenzotriazole-4,5-dione oxime","","C1=CC=C(C=C1)N2N=C3C=CC(=C(C3=N2)N=O)NO","JCKOLZBILBFJDI-UHFFFAOYSA-N","382089",NA,"PDBC16800","669448","Present"
-"2-Phenyldiazenylpropanediimidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC22959","","C1=CC=C(C=C1)N=NC(C(=N)N)C(=N)N.Cl","JJILQSLAXXASGO-UHFFFAOYSA-N","12760602",NA,"PDBC16801","22959","Present"
-"2-Phenylethyl 3-(3,4-dihydroxyphenyl)propanoate","","","","","","","","","","","","","","","","","","","","Phenethyl 3-(3,4-dihydroxyphenyl)propanoate","","C1=CC=C(C=C1)CCOC(=O)CCC2=CC(=C(C=C2)O)O","HRJHXJRZYZYNAT-UHFFFAOYSA-N","380847",NA,"PDBC16802","666586","Present"
-"2-Phenylhydrazono-5-phenyl-3,6-dihydro-1,3,4-thiadiazine","","","","","","","","","","","","","","","","","","","","2-Phenylhydrazono-5-phenyl-3,6-dihydro-1,3,4-thiadiazine","","C1C(=NNC(=NNC2=CC=CC=C2)S1)C3=CC=CC=C3","ZSLYYOHSHWQZJF-UHFFFAOYSA-N","135503977",NA,"PDBC16803","633317","Present"
-"2-Phenylimidazo[1,2-a]pyridin-3-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Phenylimidazo[1,2-a]pyridin-3-ol;hydrochloride","","C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)O.Cl","DBFAWJTVUHFFAW-UHFFFAOYSA-N","367301",NA,"PDBC16804","636860","Present"
-"2-Phenylimidazo[1,2-c]pyrimidin-7-amine","","","","","","","","","","","","","","","","","","","","Kinome_3223","","C1=CC=C(C=C1)C2=CN3C=NC(=CC3=N2)N","TVMNBJGPUXIPFT-UHFFFAOYSA-N","404051",NA,"PDBC16805","720146","Present"
-"2-Phenylisatogen","","","","","","","","","","","","","","","","","","","","NSC626105","","C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C2=O)[O-]","WXFLHMJSSLDOPA-UHFFFAOYSA-N","74787",NA,"PDBC16806","626105","Present"
-"2-Phenylmethoxyoxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","BENZYL .BETA.-D-ARABINOPYRANOSIDE","","C1C(C(C(C(O1)OCC2=CC=CC=C2)O)O)O","XUGMDBJXWCFLRQ-UHFFFAOYSA-N","220191",NA,"PDBC16807","2561","Present"
-"2-Phenylpent-4-enoic acid","","","","","","","","","","","","","","","","","","","","NE21820","","C=CCC(C1=CC=CC=C1)C(=O)O","IQZLXJUYCRPXRG-UHFFFAOYSA-N","101104",NA,"PDBC16808","400159","Present"
-"2-Phenylpyrazino[2,3-b]quinoxaline","","","","","","","","","","","","","","","","","","","","2-Phenylpyrazino[2,3-b]quinoxaline","","C1=CC=C(C=C1)C2=NC3=NC4=CC=CC=C4N=C3N=C2","ILVJSCIBHRYTMB-UHFFFAOYSA-N","279245",NA,"PDBC16809","129585","Present"
-"2-Phenylpyrido[1,2-a]benzimidazol-4-ol","","","","","","","","","","","","","","","","","","","","2-Phenylpyrido[1,2-a]benzimidazol-4-ol","","C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C2)O","IUHCEWBOCPNTBP-UHFFFAOYSA-N","384461",NA,"PDBC16810","674263","Present"
-"2-Phenylpyrimido[4',5':4,5][1,3]thiazolo[3,2-a]benzimidazol-4-ol","","","","","","","","","","","","","","","","","","","","4-Phenyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,9,11,13,15-hexaen-6-one","","C1=CC=C(C=C1)C2=NC3=C(C(=O)N2)SC4=NC5=CC=CC=C5N34","LGJZMECJSHZHSK-UHFFFAOYSA-N","135489880",NA,"PDBC16811","687826","Present"
-"2-Phenylquinolin-4-ol","","","","","","","","","","","","","","","","","","","","2-Phenyl-4-quinolone","","C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3N2","JGABMVVOXLQCKZ-UHFFFAOYSA-N","161091",NA,"PDBC16812","28866","Present"
-"2-Phenylthiazolo[3,2-b][1,2,4]triazole","","","","","","","","","","","","","","","","","","","","2-Phenylthiazolo[3,2-b][1,2,4]triazole","","C1=CC=C(C=C1)C2=NN3C=CSC3=N2","XLZGHZABCSQUCD-UHFFFAOYSA-N","361519",NA,"PDBC16813","624642","Present"
-"2-Phenylvinylformamide","","","","","","","","","","","","","","","","","","","","N-Styrylformamide","","C1=CC=C(C=C1)C=CNC=O","YRMFFVVOVRAQOU-VOTSOKGWSA-N","6081420",NA,"PDBC16814","610185","Present"
-"2-Phthalimidoglutaric acid","","","","","","","","","","","","","","","","","","","","glutamic acid, phthalyl-","","C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC(=O)O)C(=O)O","FEFFSKLJNYRHQN-UHFFFAOYSA-N","92225",NA,"PDBC16815","43131","Present"
-"2-Piperazin-1-yl-N-(pyridin-4-ylmethyl)ethanamine","","","","","","","","","","","","","","","","","","","","2-(1-Piperazinyl)-N-(4-pyridinylmethyl)ethanamine","","C1CN(CCN1)CCNCC2=CC=NC=C2","IBYTYGDHBRNVOK-UHFFFAOYSA-N","248754",NA,"PDBC16816","66185","Present"
-"2-Piperazin-1-ylethanol;platinum(4+);hexachloride","","","","","","","","","","","","","","","","","","","","2-Piperazin-1-ylethanol;platinum(4+);hexachloride","","","","",NA,"PDBC16817","248569","Present"
-"2-Piperazin-1-ylethyl 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Piperazin-1-ylethyl 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10-carboxylate;hydrochloride","","COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3C(=O)OCCN5CCNCC5.Cl","NSVOEVZVPZWTSN-UHFFFAOYSA-N","375714",NA,"PDBC16818","655652","Present"
-"2-Piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","AP-155","","C1CN(CCN1)C2=CC(=O)N3C=CC=CC3=N2","YMZVMQZXOZLAIX-UHFFFAOYSA-N","388268",NA,"PDBC16819","682882","Present"
-"2-Piperidin-1-yl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Piperidin-1-yl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride","","C1CCN(CC1)C2CCC3=C(C2=O)C=CC4=CC=CC=C34.Cl","YSSQMGMFIPQRNQ-UHFFFAOYSA-N","24200921",NA,"PDBC16820","402409","Present"
-"2-Piperidin-1-ylethyl carbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC121771","","C1CCN(CC1)CCSC(=N)N.Cl","JSAKTUMSKGVVOW-UHFFFAOYSA-N","54610141",NA,"PDBC16821","121771","Present"
-"2-Piperidinecarboxylic acid, monohydrochloride","","","","","","","","","","","","","","","","","","","","2-Piperidinecarboxylic acid, 2-acetylhydrazide, monohydrochloride (9CI)","","CC(=O)NNC(=O)C1CCCCN1.Cl","GXJAGECJDOGHJW-UHFFFAOYSA-N","21144425",NA,"PDBC16822","114811","Present"
-"2-Piperidone","","","","","","","","","","","","","","","","","","","","valerolactim","","C1CCNC(=O)C1","XUWHAWMETYGRKB-UHFFFAOYSA-N","12665",NA,"PDBC16823","18894","Present"
-"2-Prop-1-ynyl-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","NSC772536","","CC#CC1=NC2=CC=CC=C2C(=O)N1","RFXIGOCPTVMRDK-UHFFFAOYSA-N","151707656",NA,"PDBC16824","772536","Present"
-"2-Propan-2-ylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propan-2-ylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride","","CC(=C1CCC(C1=O)CN2CCCC2)C.Cl","JXTSOOUPWVXIOP-UHFFFAOYSA-N","368793",NA,"PDBC16825","639987","Present"
-"2-Propanol, 1-amino-3-(hexadecylamino)-","","","","","","","","","","","","","","","","","","","","2-Propanol, 1-amino-3-(hexadecylamino)-","","CCCCCCCCCCCCCCCCNCC(CN)O","GNSGPFUUHJVGPK-UHFFFAOYSA-N","300721",NA,"PDBC16826","175995","Present"
-"2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-","","","","","","","","","","","","","","","","","","","","2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-","","C1=CC=C(C=C1)P(=CC(=O)CCl)(C2=CC=CC=C2)C3=CC=CC=C3","NYAMPFDYTBDISG-UHFFFAOYSA-N","287004",NA,"PDBC16827","146374","Present"
-"2-Propanone, 2-(9H-purin-6-yl)hydrazone","","","","","","","","","","","","","","","","","","","","2-Propanone, 2-(9H-purin-6-yl)hydrazone","","CC(=NNC1=NC=NC2=C1NC=N2)C","XFVMXPHMLRAJJB-UHFFFAOYSA-N","520491",NA,"PDBC16828","45641","Present"
-"2-Propen-1-one, 1-(8-hydroxy-2-methyl-4-quinolinyl)-3-(8...","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-(8-hydroxy-2-methyl-4-quinolinyl)-3-(8...","","","","",NA,"PDBC16829","781665","Present"
-"2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 2-[(dimethylamino)methyl]-1-phenyl-, hyd...","","CN(C)CC(=C)C(=O)C1=CC=CC=C1.Cl","SLQVHPCGONHBGQ-UHFFFAOYSA-N","3063374",NA,"PDBC16830","382011","Present"
-"2-Propen-1-one, 3-(1-naphthalenyl)-1-phenyl-","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 3-(1-naphthalenyl)-1-phenyl- (9CI)","","C1=CC=C(C=C1)C(=O)C=CC2=CC=CC3=CC=CC=C32","DUXOKTVNGKSFTK-BUHFOSPRSA-N","5712119",NA,"PDBC16831","39803","Present"
-"2-Propen-1-one,3,5-cycloheptriene-2-yl)-3-(4-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-(1-hydroxy-7-oxo-1,3,5-cycloheptriene-...","","C1=CC(=C(C(=O)C=C1)O)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]","XOEHJLARIPTYHM-YFHOEESVSA-N","54604759",NA,"PDBC16832","356778","Present"
-"2-Propen-1-one,4,5-trimethoxyphenyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4,5- trim...","","CN(C)CC(=C)C(=O)C1=CC(=C(C=C1OC)OC)OC.Cl","FXRGJPIDIRVHAK-UHFFFAOYSA-N","13958694",NA,"PDBC16833","382005","Present"
-"2-Propen-1-one,4-dichlorophenyl)amino]-4-methyl-5-thiazolyl]-3-(5-benzodioxolyl)-, (2,4-nitrophenyl)hydrazone","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-[2-[(3,4-dichlorophenyl)amino]- 4-meth...","","CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=CC4=CC5=C(C=C4)OCO5","XMVYWVBUSJUSOT-BPWRLLBASA-N","135488945",NA,"PDBC16834","640335","Present"
-"2-Propen-1-one,4-dihydroxyphenyl)-3-(2-hydroxy-phenyl)-","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-hydroxy- ph...","","C1=CC=C(C(=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)O","MACMAADVRVVHBD-YVMONPNESA-N","54608624",NA,"PDBC16835","636790","Present"
-"2-Propen-1-one,4-dimethyl phenyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4-dimethy...","","CC1=CC(=C(C=C1)C(=O)C(=C)CN(C)C)C.Cl","NHFCYZSRTLOMMF-UHFFFAOYSA-N","13958696",NA,"PDBC16836","382000","Present"
-"2-Propen-1-one,5-dimethyl phenyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,5-dimethy...","","CC1=CC(=C(C=C1)C)C(=O)C(=C)CN(C)C.Cl","UYSHKPUUOKBNLN-UHFFFAOYSA-N","13958697",NA,"PDBC16837","382001","Present"
-"2-Propenamide, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-","","","","","","","","","","","","","","","","","","","","2-Propenamide, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-c...","","COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N)Br)O","QRGSSWYQKGUUQU-FARCUNLSSA-N","709958",NA,"PDBC16838","343039","Present"
-"2-Propenamide,1-dimethylethyl)-N-(phenylmethyl)-3-(phenylsulfinyl)-, (2Z)-","","","","","","","","","","","","","","","","","","","","2-Propenamide, N-(1,1-dimethylethyl)-N-(phenylmethyl)- 3...","","CC(C)(C)N(CC1=CC=CC=C1)C(=O)C=CS(=O)C2=CC=CC=C2","ADHHICUYPKOBSF-PFONDFGASA-N","5470812",NA,"PDBC16839","705331","Present"
-"2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-","","","","","","","","","","","","","","","","","","","","2-Propenamide, N-[2-(decylsulfinyl)-1-(hydroxymethyl)eth...","","CCCCCCCCCCS(=O)CC(CO)NC(=O)C=CC1=C(NC(=O)NC1=O)C","WEIMMLJFQRUMOU-VAWYXSNFSA-N","5358593",NA,"PDBC16840","266763","Present"
-"2-Propenenitrile, 3-[3-(dimethylamino)phenyl]-2-phenyl-","","","","","","","","","","","","","","","","","","","","2-Propenenitrile, 3-[3-(dimethylamino)phenyl]-2-phenyl-","","CN(C)C1=CC=CC(=C1)C=C(C#N)C2=CC=CC=C2","JDZSJXYNKBVSLD-LFIBNONCSA-N","5351425",NA,"PDBC16841","667251","Present"
-"2-Propenoic acid, 3-(4-methoxy-6-oxo-6H-pyran-2-yl)-, ethyl ester","","","","","","","","","","","","","","","","","","","","2-Propenoic acid, 3-(4-methoxy-6-oxo-6H-pyran-2-yl)-, et...","","CCOC(=O)C(=CC1=CC(=CC(=O)O1)OC)O","UNWIJHNOFQKXPG-UITAMQMPSA-N","54679369",NA,"PDBC16842","628339","Present"
-"2-Propenone, hydrobromide, (Z)-","","","","","","","","","","","","","","","","","","","","2-Propenone, 1-(4-bromophenyl)-2-(4-morpholinylmethyl)-3...","","C1COCCN1CC(=CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br.Br","WBINJDOUDKYOKE-NYAKATHWSA-N","24193247",NA,"PDBC16843","150311","Present"
-"2-Propenone,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-3-(1H-pyrazol-3-yl)-","","","","","","","","","","","","","","","","","","","","2-Propenone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphen...","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=CC=NN2","MIKNOXVYSSHZAA-BQYQJAHWSA-N","5471160",NA,"PDBC16844","709104","Present"
-"2-Propyl estradiol","","","","","","","","","","","","","","","","","","","","2-propyl estradiol","","CCCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","SNMHUYUZYYNVIH-OKSLILNBSA-N","381023",NA,"PDBC16845","667046","Present"
-"2-Propyl-3-(2-propyl-1H-indol-3-yl)-1H-indole","","","","","","","","","","","","","","","","","","","","3,3'-Bi-1H-Indole, 2,2'-dipropyl-","","CCCC1=C(C2=CC=CC=C2N1)C3=C(NC4=CC=CC=C43)CCC","DQPQLUBLJYSDMS-UHFFFAOYSA-N","392793",NA,"PDBC16846","693714","Present"
-"2-Propynoic acid,4-diyl ester","","","","","","","","","","","","","","","","","","","","2-Propynoic acid, 2-butyne-1,4-diyl ester","","C#CC(=O)OCC#CCOC(=O)C#C","NYTVPHFBPXCEFK-UHFFFAOYSA-N","305546",NA,"PDBC16847","202554","Present"
-"2-Propynyl 2,4-diamino-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Asparagine, 2-propynyl ester","","C#CCOC(=O)C(CC(=O)N)N","NTGQMWKVMKQQIU-UHFFFAOYSA-N","387276",NA,"PDBC16848","680927","Present"
-"2-Pyrazinecarbox-N-(2-benzothienylmethylene)amidrazone","","","","","","","","","","","","","","","","","","","","N'-[(E)-Benzothiophen-2-ylmethyleneamino]pyrazine-2-carboxamidine","","C1=CC=C2C(=C1)C=C(S2)C=NN=C(C3=NC=CN=C3)N","VHBBABWHQDVYQH-QGMBQPNBSA-N","9575101",NA,"PDBC16849","709089","Present"
-"2-Pyrazinecarbox-N-(2-benzoxazolylmethylene)amidrazone","","","","","","","","","","","","","","","","","","","","N'-[(E)-1,3-Benzoxazol-2-ylmethyleneamino]pyrazine-2-carboxamidine","","C1=CC=C2C(=C1)N=C(O2)C=NN=C(C3=NC=CN=C3)N","AJGIVPALLOUAFZ-CAOOACKPSA-N","9575105",NA,"PDBC16850","709090","Present"
-"2-Pyrazolin-5-one, 1-[(2-hydroxyphenyl)carbonyl]-3-methyl-4-[(4-nitrophenyl)methylene]-","","","","","","","","","","","","","","","","","","","","2-Pyrazolin-5-one, 1-[(2-hydroxyphenyl)carbonyl]- 3-meth...","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3O","IETVLFYBRBRYJY-XNTDXEJSSA-N","5467414",NA,"PDBC16851","652175","Present"
-"2-Pyridin-1-ium-1-ylhexadecanoate","","","","","","","","","","","","","","","","","","","","2-Pyridin-1-ium-1-ylhexadecanoate","","CCCCCCCCCCCCCCC(C(=O)[O-])[N+]1=CC=CC=C1","JCMOEFKIKXJILZ-UHFFFAOYSA-N","24200447",NA,"PDBC16852","374653","Present"
-"2-Pyridin-2-ylsulfanyl-6-(trifluoromethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(2-Pyridylsulfanyl)-6-(trifluoromethyl)quinoxaline","","C1=CC=NC(=C1)SC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","ISFKQEPUOIUUGX-UHFFFAOYSA-N","399538",NA,"PDBC16853","710402","Present"
-"2-Pyridin-3-yl-1,2-benzoselenazol-3-one","","","","","","","","","","","","","","","","","","","","1,2-Benzisoselenazol-3(2H)-one, 2-(3-pyridinyl)-","","C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CN=CC=C3","USKVYNKDRAWQBW-UHFFFAOYSA-N","174767",NA,"PDBC16854","639767","Present"
-"2-Pyridin-3-yl-2,3-dihydro-1H-perimidine","","","","","","","","","","","","","","","","","","","","STL361983","","C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CN=CC=C4","ZUOLBTXPELTJQQ-UHFFFAOYSA-N","256661",NA,"PDBC16855","83715","Present"
-"2-Pyridin-3-ylacetohydrazide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC18355","","C1=CC(=CN=C1)CC(=O)NN.Cl","KGOXMUXJKGDDQW-UHFFFAOYSA-N","54601757",NA,"PDBC16856","18355","Present"
-"2-Pyridin-3-ylpyrido[2,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","2-(3-pyridyl)-1,3,8-triazanaphthalene","","C1=CC(=CN=C1)C2=NC=C3C=CC=NC3=N2","MKJGBTYCQKYWMA-UHFFFAOYSA-N","377554",NA,"PDBC16857","659121","Present"
-"2-Pyridin-4-yl-5,6,7,8,9,10-hexahydro-3H-cycloocta[2,3]thieno[2,4-b]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-(4-Pyridyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno...","","C1CCCC2=C(CC1)C3=C(S2)N=C(NC3=O)C4=CC=NC=C4","QYYCMPMKLOCUIQ-UHFFFAOYSA-N","72196544",NA,"PDBC16858","764316","Present"
-"2-Pyridinecarbaldehyde (5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone","","","","","","","","","","","","","","","","","","","","2-Pyridinecarbaldehyde (5-methyl-5H-[1,2,4]triazino[5,6-...","","CN1C2=CC=CC=C2C3=C1N=C(N=N3)NN=CC4=CC=CC=N4","QTVNIFNYIYCKMI-VCHYOVAHSA-N","9555602",NA,"PDBC16859","370589","Present"
-"2-Pyridinecarbaldehyde N-(4-chlorophenyl)thiosemicarbazone","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea","","C1=CC=NC(=C1)C=NNC(=S)NC2=CC=C(C=C2)Cl","GRYWNXFAJVPYFP-CXUHLZMHSA-N","9571484",NA,"PDBC16860","670965","Present"
-"2-Pyridinecarboxaldehyde, (4-methyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","2-Pyridinecarboxaldehyde, (4-methyl-2-quinolinyl)hydrazone","","CC1=CC(=NC2=CC=CC=C12)NN=CC3=CC=CC=N3","IGPVPTZWRCVXDL-WOJGMQOQSA-N","9569341",NA,"PDBC16861","332425","Present"
-"2-Pyridinecarboxaldehyde, 2-quinolinylhydrazone","","","","","","","","","","","","","","","","","","","","Picolinealdehyde-2-quinolylhydrazone","","C1=CC=C2C(=C1)C=CC(=N2)NN=CC3=CC=CC=N3","RQKUHYQNHJJIFO-GZTJUZNOSA-N","6436860",NA,"PDBC16862","527347","Present"
-"2-Pyridinecarboximidic acid, (5-nitro-2-benzoxazolyl)hydrazide","","","","","","","","","","","","","","","","","","","","2-Pyridinecarboximidic acid, (5-nitro-2-benzoxazolyl)hyd...","","C1=CC=NC(=C1)C(=NNC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])N","SIEDEFZPEHSZPB-UHFFFAOYSA-N","9572155",NA,"PDBC16863","705933","Present"
-"2-Pyridineselenenyl bromide","","","","","","","","","","","","","","","","","","","","Pyridylselenyl bromide","","C1=CC=NC(=C1)[Se]Br","HORGYCFLJWJACY-UHFFFAOYSA-N","355898",NA,"PDBC16864","610578","Present"
-"2-Pyridinethiol, sodium salt","","","","","","","","","","","","","","","","","","","","omadine sodium","","C1=CC=[N+](C(=C1)S)[O-].[Na+]","WNGMMIYXPIAYOB-UHFFFAOYSA-N","23673459",NA,"PDBC16865","4483","Present"
-"2-Pyridinone, 3-chloro-4-hydroxy-1-beta-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","2-Pyridinone, 3-chloro-4-hydroxy-1-beta-D-ribofuranosyl-","","C1=CN(C(=O)C(=C1O)Cl)C2C(C(C(O2)CO)O)O","GLWRZDVTMJHWEG-UHFFFAOYSA-N","54716343",NA,"PDBC16866","603335","Present"
-"2-Pyridinylphosphinic acid","","","","","","","","","","","","","","","","","","","","2-Pyridinylphosphinic acid","","C1=CC=NC(=C1)[P+](=O)O","QDYBCQWPQDPGHZ-UHFFFAOYSA-O","6328768",NA,"PDBC16867","632919","Present"
-"2-Pyridyl 4-methylphenyl sulfone","","","","","","","","","","","","","","","","","","","","Pyridine, 2-[(4-methylphenyl)sulfonyl]-","","CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=N2","PRPHNXQPIJBYSW-UHFFFAOYSA-N","365389",NA,"PDBC16868","633002","Present"
-"2-Pyrimidinecarboxamide, 4-hydroxy-6-phenyl-N-5-tetrazolyl-","","","","","","","","","","","","","","","","","","","","2-Pyrimidinecarboxamide, 4-hydroxy-6-phenyl-N-5-tetrazolyl-","","C1=CC=C(C=C1)C2=CC(=O)NC(=N2)C(=O)NC3=NNN=N3","VODOZLVGXJJZML-UHFFFAOYSA-N","135403623",NA,"PDBC16869","622187","Present"
-"2-Pyrrolidinecarboxamide, 1-[1-naphthalenyl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-N-(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","2-Pyrrolidinecarboxamide, 1-[1-naphthalenyl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-N-(phenylmethyl)-","","COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC3=CC=CC=C32)N4C(CCC4=O)C(=O)NCC5=CC=CC=C5","KPPFVCJMPZVMST-UHFFFAOYSA-N","463775",NA,"PDBC16870","695846","Present"
-"2-Pyrrolidinecarboxamide, N-(aminocarbonyl)-1-[(4-chlorophenyl)sulfonyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","2-Pyrrolidinecarboxamide, N-(aminocarbonyl)-1-[(4-chlorophenyl)sulfonyl]-5-oxo-","","C1CC(=O)N(C1C(=O)NC(=O)N)S(=O)(=O)C2=CC=C(C=C2)Cl","WIISTQJPVANFEE-UHFFFAOYSA-N","370900",NA,"PDBC16871","644635","Present"
-"2-Pyrrolidinone, 1-[diazo(phenylsulfonyl)acetyl]-","","","","","","","","","","","","","","","","","","","","2-Pyrrolidinone, 1-[diazo(phenylsulfonyl)acetyl]-","","C1CC(=O)N(C1)C(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2","QPXINKPAZPNZCL-UHFFFAOYSA-N","373299",NA,"PDBC16872","649449","Present"
-"2-Pyrrolidinone, 3-[(4-methoxyphenyl)methylene]-","","","","","","","","","","","","","","","","","","","","2-Pyrrolidinone, 3-[(4-methoxyphenyl)methylene]-","","COC1=CC=C(C=C1)C=C2CCNC2=O","PBERPURCNYNNSA-CSKARUKUSA-N","6375812",NA,"PDBC16873","99078","Present"
-"2-Quinoxalinecarbonitrile, 3-(4-chlorophenyl)-, 1,4-dioxide","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-cyano-3-(4-clhloro)phenylquinoxaline","","C1=CC=C2C(=C1)N(C(=C([N+]2=O)C#N)C3=CC=C(C=C3)Cl)[O-]","GHCITZLMAPABDB-UHFFFAOYSA-N","11594562",NA,"PDBC16874","725539","Present"
-"2-Quinoxalinecarbonitrile, 3-phenyl-, 1,4-dioxide","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-cyano-3-phenylquinoxaline","","C1=CC=C(C=C1)C2=C([N+](=O)C3=CC=CC=C3N2[O-])C#N","UEVRLCVBDJUNJX-UHFFFAOYSA-N","11579806",NA,"PDBC16875","725537","Present"
-"2-Quinoxalinecarbonitrile, 6,7-dichloro-3-(4-methylphenyl)-, 1,4-dioxide","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-2-cyano-6,7-dichloro-3-(4-methyl)phenylqu...","","CC1=CC=C(C=C1)C2=C([N+](=O)C3=CC(=C(C=C3N2[O-])Cl)Cl)C#N","GRSRWFFYYXEFGY-UHFFFAOYSA-N","11493966",NA,"PDBC16876","726183","Present"
-"2-Quinoxalinecarbonitrile, 7-chloro-3-(phenylamino)-, 1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-Quinoxalinecarbonitrile , 7-chloro-3-(phenylamino)-, 1...","","C1=CC=C(C=C1)NC2=[N+](C3=C(C=C(C=C3)Cl)[N+](=C2C#N)[O-])[O-]","TZSAEEXSFZQNSH-UHFFFAOYSA-N","135400998",NA,"PDBC16877","693869","Present"
-"2-Quinoxalinecarboxylic acid, 3-[(3,4-dimethoxyphenyl)amino]-, ethyl ester","","","","","","","","","","","","","","","","","","","","2-Quinoxalinecarboxylic acid, 3-[(3,4-dimethoxyphenyl)amino]-, ethyl ester","","CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC(=C(C=C3)OC)OC","NKTVONIADOPLNS-UHFFFAOYSA-N","382847",NA,"PDBC16878","670677","Present"
-"2-Quinoxalinecarboxylic acid, 6,7-dichloro-3-methyl-, ethyl ester, 1,4-dioxide","","","","","","","","","","","","","","","","","","","","2-Quinoxalinecarboxylic acid, 6,7-dichloro-3-methyl-, ethyl ester, 1,4-dioxide","","CCOC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)Cl)Cl)[O-])C","NNTWXNHORDOYGA-UHFFFAOYSA-N","404287",NA,"PDBC16879","720468","Present"
-"2-Quinoxalinepropanamide, N-1H-benzimidazol-2-yl-6-benzoyl-3-hydroxy-a-oxo-","","","","","","","","","","","","","","","","","","","","2-Quinoxalinepropanamide, N-1H-benzimidazol-2-yl-6-benzoyl-3-hydroxy-a-oxo-","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C(=O)NC4=NC5=CC=CC=C5N4","DLVBALDJLXGDJW-UHFFFAOYSA-N","372003",NA,"PDBC16880","646819","Present"
-"2-S-Dimethylarsino-2-thiobenzoic acid","","","","","","","","","","","","","","","","","","","","2-S-dimethylarsino-2-thiobenzoic acid","","C[As](C)SC1=CC=CC=C1C(=O)O","CPPNTXAMKHGBQK-UHFFFAOYSA-N","404813",NA,"PDBC16881","721333","Present"
-"2-Sulfanyl-N'-[2-[[2-[[(2-sulfanylbenzoyl)amino]carbamoyl]phenyl]disulfanyl]benzoyl]benzohydrazide","","","","","","","","","","","","","","","","","","","","2-Sulfanyl-N'-[2-[[2-[[(2-sulfanylbenzoyl)amino]carbamoyl]phenyl]disulfanyl]benzoyl]benzohydrazide","","C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NNC(=O)C4=CC=CC=C4S)S","LLSCXYAYBZEUTP-UHFFFAOYSA-N","397254",NA,"PDBC16882","704782","Present"
-"2-Sulfanylidene-3-(3,4,5-trimethoxybenzoyl)imidazolidine-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","2-Thioxo-3-(3,4,5-trimethoxybenzoyl)imidazolidine-1-carbaldehyde","","COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C2=S)C=O","ZHOKADJQDVHUHF-UHFFFAOYSA-N","396747",NA,"PDBC16883","703457","Present"
-"2-Tert-Butyl-3-hydroxy-3-(trifluoromethyl)-1-isoindolinone","","","","","","","","","","","","","","","","","","","","2-Tert-Butyl-3-hydroxy-3-(trifluoromethyl)-1-isoindolinone","","CC(C)(C)N1C(=O)C2=CC=CC=C2C1(C(F)(F)F)O","QZBUBUCCMXNMEF-UHFFFAOYSA-N","388325",NA,"PDBC16884","683060","Present"
-"2-Tert-Butyl-4-(phenylthiomethylene)-1,2-dihydroisoquinoline-3(4H)-one","","","","","","","","","","","","","","","","","","","","2-Tert-Butyl-4-(phenylthiomethylene)-1,2-dihydroisoquinoline-3(4H)-one","","CC(C)(C)N1CC2=CC=CC=C2C(=CSC3=CC=CC=C3)C1=O","XFARBOFICGJUQV-JXAWBTAJSA-N","5470815",NA,"PDBC16885","705334","Present"
-"2-Tert-Butyl-4-(triphenylphosphoranylidene)oxazole-5(4H)-one","","","","","","","","","","","","","","","","","","","","2-Tert-Butyl-4-(triphenylphosphoranylidene)oxazole-5(4H)-one","","CC(C)(C)C1=NC(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O1","SBDQICIAANDLNV-UHFFFAOYSA-N","394303",NA,"PDBC16886","697670","Present"
-"2-Tert-Butylanthraquinone","","","","","","","","","","","","","","","","","","","",".beta.-tert-Butylanthraquinone","","CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O","YTPSFXZMJKMUJE-UHFFFAOYSA-N","66532",NA,"PDBC16887","30548","Present"
-"2-Tert-Butylnaphth[2,3-d]oxazole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-d]oxazole-4,9-dione, 2-(1,1-dimethylethyl)-","","CC(C)(C)C1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=O","XYJGAIQEWRRGAX-UHFFFAOYSA-N","370622",NA,"PDBC16888","643915","Present"
-"2-Tert-butyl-2-[6-(1,1-dicyano-2,2-dimethyl-propyl)pyridazin-3-yl]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-Tert-butyl-2-[6-(1,1-dicyano-2,2-dimethyl-propyl)pyridazin-3-yl]propanedinitrile","","CC(C)(C)C(C#N)(C#N)C1=NN=C(C=C1)C(C#N)(C#N)C(C)(C)C","PDEKDYMNXGZJII-UHFFFAOYSA-N","361636",NA,"PDBC16889","624855","Present"
-"2-Tert-butyl-2-azaspiro[3.5]nonan-3-one","","","","","","","","","","","","","","","","","","","","2-Tert-butyl-2-azaspiro[3.5]nonan-3-one","","CC(C)(C)N1CC2(C1=O)CCCCC2","GCFCTYSFWNCODX-UHFFFAOYSA-N","357736",NA,"PDBC16890","617255","Present"
-"2-Tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol","","","","","","","","","","","","","","","","","","","","2-Tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol","","CC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN(C)C","GVUNWVGYJROCEX-UHFFFAOYSA-N","228534",NA,"PDBC16891","21518","Present"
-"2-Tert-butyl-6-(4-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,3,5,6-tetramethylbenzyl)-4-methylphenol","","","","","","","","","","","","","","","","","","","","6,6'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)bi...","","CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=C(C(=C2C)C)CC3=C(C(=CC(=C3)C)C(C)(C)C)O)C)C","DSJCTVARYPWIFZ-UHFFFAOYSA-N","291903",NA,"PDBC16892","157469","Present"
-"2-Tert-butyl-6-(5-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,4-dimethylbenzyl)-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-Tert-butyl-6-(5-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,4-dimethylbenzyl)-4-methylphenol","","CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC(=C(C=C2C)C)CC3=C(C(=CC(=C3)C)C(C)(C)C)O","KPIWBQQKOPSARL-UHFFFAOYSA-N","245617",NA,"PDBC16893","57725","Present"
-"2-Tert-butylcarbonyl-3-trifluoromethylquinoxaline","","","","","","","","","","","","","","","","","","","","2-tert-butylcarbonyl-3-trifluoromethylquinoxaline","","CC(C)(C)C(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F","CYUAYNJCNIAYIW-UHFFFAOYSA-N","24203213",NA,"PDBC16894","727206","Present"
-"2-Tert-butylcarbonyl-6,7-dichloro-3-trifluoromethylquinoxaline","","","","","","","","","","","","","","","","","","","","2-tert-butylcarbonyl -6,7-dichloro-3-trifluoromethylquin...","","CC(C)(C)C(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)Cl)Cl)[O-])C(F)(F)F","NLLWVXJHZURLJI-UHFFFAOYSA-N","24203212",NA,"PDBC16895","727205","Present"
-"2-Tert-butylsulfanylcarbothioylsulfanyl-1-(4-chloro-3-methyl-phenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-Tert-butylsulfanylcarbothioylsulfanyl-1-(4-chloro-3-methyl-phenyl)ethanone","","CC1=C(C=CC(=C1)C(=O)CSC(=S)SC(C)(C)C)Cl","AKTHGADVIFAPPT-UHFFFAOYSA-N","342550",NA,"PDBC16896","379543","Present"
-"2-Tetrahydropyran-2-ylbenzotriazole","","","","","","","","","","","","","","","","","","","","2-Tetrahydropyran-2-ylbenzotriazole","","C1CCOC(C1)N2N=C3C=CC=CC3=N2","QPCLWGZYICOXBZ-UHFFFAOYSA-N","388094",NA,"PDBC16897","682557","Present"
-"2-Thenylamine, alpha-cyclopropyl-N-(2-oxazolinyl)-","","","","","","","","","","","","","","","","","","","","LS-149330","","C1CC1C(C2=CC=CS2)NC3=NCCO3","VJHWETIJMQYHCX-UHFFFAOYSA-N","215269",NA,"PDBC16898","664297","Present"
-"2-Thia-1,3,5,7-tetrazaadamantane, 2,2-dioxide","","","","","","","","","","","","","","","","","","","","2-Thia-1,3,5,7-tetraazaadamantane, 2,2-dioxide","","C1N2CN3CN1CN(C2)S3(=O)=O","GIMJMQVYJORODJ-UHFFFAOYSA-N","64164",NA,"PDBC16899","160127","Present"
-"2-Thiazolamine, 4-[5-(4-nitrophenyl)-2-furanyl]-N-phenyl-","","","","","","","","","","","","","","","","","","","","2-Thiazolamine, 4-[5-(4-nitrophenyl)-2-furanyl]-N-phenyl-","","C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]","HTNBBJDKDCJXJL-UHFFFAOYSA-N","367867",NA,"PDBC16900","638033","Present"
-"2-Thiazolidinethione, 4-methyl-3-[(4-methyl-2-thioxo-3-thiazolidinyl)carbonyl]-","","","","","","","","","","","","","","","","","","","","2-Thiazolidinethione, 4-methyl-3-[(4-methyl-2-thioxo-3-thiazolidinyl)carbonyl]-","","CC1CSC(=S)N1C(=O)N2C(CSC2=S)C","HUOMTFGJVUIQSG-UHFFFAOYSA-N","375344",NA,"PDBC16901","654968","Present"
-"2-Thienylphosphinic acid","","","","","","","","","","","","","","","","","","","","2-Thienylphosphinic acid","","C1=CSC(=C1)[P+](=O)O","JCVUDCBIOSOBRZ-UHFFFAOYSA-O","6328770",NA,"PDBC16902","632921","Present"
-"2-Thiophenecarbaldehyde (4-chloro-2-(hydroxy(oxido)amino)phenyl)(methyl)hydrazone","","","","","","","","","","","","","","","","","","","","4-Chloro-N-methyl-2-nitro-N-[(E)-2-thienylmethyleneamino]aniline","","CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N=CC2=CC=CS2","OPRXYNAMDXRDDE-RIYZIHGNSA-N","9555937",NA,"PDBC16903","658009","Present"
-"2-Thiophenecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","2-Thiophenecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone","","C1=CSC(=C1)C=NNC2=C(C=CC(=C2)Cl)[N+](=O)[O-]","BWUFIHVCRJIXQG-NTUHNPAUSA-N","9555936",NA,"PDBC16904","658008","Present"
-"2-Thiophenecarbothioamide, N-((4-chloro-3-((1,1-dimethylethoxy)iminomethyl)phenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","2-Thiophenecarbothioamide, N-[4-chloro- 3-[(1,1-dimethyl...","","CC1=C(SC=C1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)(C)C","SQQWWYVPSWFCLQ-VXLYETTFSA-N","9554694",NA,"PDBC16905","645540","Present"
-"2-Thiophenecarbothioamide, N-(4-chloro-3-(((1-methylethoxy)imino)methyl)phenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","2-Thiophenecarbothioamide, N-[4-chloro-3-[(1-methylethox...","","CC1=C(SC=C1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)C","RESAKFVTQFLGFK-GIJQJNRQSA-N","9554695",NA,"PDBC16906","647019","Present"
-"2-Thiophenecarboxaldehyde, 3-methyl-, pyrazinylhydrazone","","","","","","","","","","","","","","","","","","","","2-Thiophenecarboxaldehyde, 3-methyl-, pyrazinylhydrazone","","CC1=C(SC=C1)C=NNC2=NC=CN=C2","KAFSXAUEAFRYEE-AWNIVKPZSA-N","9556269",NA,"PDBC16907","683902","Present"
-"2-Thiophenecarboxaldehyde, 5,5'-(2,5-furandiyl)bis-","","","","","","","","","","","","","","","","","","","","2-Thiophenecarboxaldehyde, 5,5'-(2,5-furandiyl)bis-","","C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)C=O)C=O","OFKNDOCRYWMQIK-UHFFFAOYSA-N","363820",NA,"PDBC16908","629035","Present"
-"2-Thiophenecarboxaldehyde, 5-[5-[5-(hydroxymethyl)-2-thienyl]-2-furanyl]-","","","","","","","","","","","","","","","","","","","","2-Thiophenecarboxaldehyde, 5-[5-[5-(hydroxymethyl)- 2-th...","","C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)C=O)CO","RPMXZAKYUQBPGO-UHFFFAOYSA-N","383733",NA,"PDBC16909","672170","Present"
-"2-Thiophenecarboxamide, N-3-pyridinyl-","","","","","","","","","","","","","","","","","","","","NSC755263","","C1=CC(=CN=C1)NC(=O)C2=CC=CS2","UPLHUDRMLWWFRE-UHFFFAOYSA-N","790407",NA,"PDBC16910","755263","Present"
-"2-Thiophenecarboxylic acid, 2-hydroxy-3-](1-methylethyl amino]propyl ester","","","","","","","","","","","","","","","","","","","","2-Thiophenecarboxylic acid, 2-hydroxy-3-](1-methylethyl ...","","CC(C)NCC(COC(=O)C1=CC=CS1)O.Cl","OPADPWVXUSOKEN-UHFFFAOYSA-N","361496",NA,"PDBC16911","624534","Present"
-"2-Thiophenesulfonamide,3-dihydro-5-(3-isoxazolyl)-","","","","","","","","","","","","","","","","","","","","2-Thiophenesulfonamide, N-[(4-chlorophenylamino)(hydroxy...","","C1C=C(SC1S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NO)C3=NOC=C3","YTIJSBFBJUVJOG-UHFFFAOYSA-N","9572195",NA,"PDBC16912","707038","Present"
-"2-Thioxo trimethlene[c]thiopyrano[2,3-d]pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","2-Thioxo trimethlene[c]thiopyrano[2,3-d]pyrimidin-6-one","","C1CC2=C(C1)C(=S)SC3=C2C(=O)NC=N3","JTTWVRSNSVIDKU-UHFFFAOYSA-N","5473084",NA,"PDBC16913","723636","Present"
-"2-Thioxo-1,2-dihydro-5-[(biphenyl-4-yl)methylene]pyrimidine-4,6(3H,5H)-dione","","","","","","","","","","","","","","","","","","","","2-Thioxo-1,2-dihydro-5-[(biphenyl-4-yl)methylene]pyrimidine-4,6(3H,5H)-dione","","C1=CC=C(C=C1)C2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O","WCHLHTXYKWJEJW-UHFFFAOYSA-N","3610426",NA,"PDBC16914","684571","Present"
-"2-Thioxo-1,3-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tetrahydro-4(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","2-Thioxo-1,3-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tetrahydro-4(1H)-pyrimidinone","","C1CN(C(=S)N(C1=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","MLCJONPKHKBJBL-UHFFFAOYSA-N","376169",NA,"PDBC16915","656703","Present"
-"2-Thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC676616///NSC676619","","C1CCCC2=C(CC1)C=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N","UKPICPQZFRGKQT-UHFFFAOYSA-N","385435",NA,"PDBC16916","676616///676619","Present"
-"2-Thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC676617///NSC676621","","C1CCC2=C(C1)C=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N","QWACLMFLANEADU-UHFFFAOYSA-N","385436",NA,"PDBC16917","676617///676621","Present"
-"2-Thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile","","C1CCC2=C(CC1)N(C(=S)C(=C2)C#N)C3C(C(C(C(O3)CO)O)O)O","WHZHBDCMWKMMOX-UHFFFAOYSA-N","385438",NA,"PDBC16918","676620","Present"
-"2-Thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile","","C1CC2=C(C1)N(C(=S)C(=C2)C#N)C3C(C(C(C(O3)CO)O)O)O","MGQJPZMYRGPJRK-UHFFFAOYSA-N","385437",NA,"PDBC16919","676618","Present"
-"2-Thioxo-3-(morpholinomethyl)-5-[(Z)-4-chlorobenzylidene]imidazolidine-4-one","","","","","","","","","","","","","","","","","","","","2-Thioxo-3-(morpholinomethyl)-5-[(Z)-4-chlorobenzylidene]imidazolidine-4-one","","C1COCCN1CN2C(=O)C(=CC3=CC=C(C=C3)Cl)NC2=S","FRISGZYAUUFDKT-LCYFTJDESA-N","5469470",NA,"PDBC16920","688932","Present"
-"2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-chlorobenzylidene]imidazolidine-4-one","","","","","","","","","","","","","","","","","","","","2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-chlorobenzylidene]imidazolidine-4-one","","C1CCN(CC1)CN2C(=O)C(=CC3=CC=C(C=C3)Cl)NC2=S","WJWUFNBKBXWAHL-UVTDQMKNSA-N","5469475",NA,"PDBC16921","688938","Present"
-"2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-methylbenzylidene]imidazolidine-4-one","","","","","","","","","","","","","","","","","","","","2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-methylbenzylidene]imidazolidine-4-one","","CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CN3CCCCC3","VSCQZVWKBPYRBS-PTNGSMBKSA-N","5469474",NA,"PDBC16922","688937","Present"
-"2-Tridecenal","","","","","","","","","","","","","","","","","","","","2-Tridecenal","","CCCCCCCCCCC=CC=O","VMUNAKQXJLHODT-VAWYXSNFSA-N","5283363",NA,"PDBC16923","617616","Present"
-"2-Trifluoroethoxy-6-hydroxyiminoestra-1,5(10)-trien-3,17-beta-diol","","","","","","","","","","","","","","","","","","","","2-Trifluoroethoxy-6-hydroxyiminoestra-1,3,5(10)-trien-3,...","","CC12CCC3C(C1CCC2O)CC(=NO)C4=CC(=C(C=C34)OCC(F)(F)F)O","DNICCASOGBIQBS-WBNCGUHTSA-N","9571975",NA,"PDBC16924","681683","Present"
-"2-Trifluoroethoxy-6-oxo-3,3,5(10)-triene","","","","","","","","","","","","","","","","","","","","2-Trifluoroethoxy-6-oxo-3,17.beta.-diacetyloxyestra-1,3,...","","CC(=O)OC1CCC2C1(CCC3C2CC(=O)C4=CC(=C(C=C34)OCC(F)(F)F)OC(=O)C)C","CZHGPGQUUPKWLZ-PHUBBRROSA-N","387664",NA,"PDBC16925","681685","Present"
-"2-Trimethylsilylethyl 4-[ethyl(methoxy)phosphoryl]-3,6-dihydro-2H-pyridine-1-carboxylate","","","","","","","","","","","","","","","","","","","","2-Trimethylsilylethyl 4-[ethyl(methoxy)phosphoryl]-3,6-dihydro-2H-pyridine-1-carboxylate","","CCP(=O)(C1=CCN(CC1)C(=O)OCC[Si](C)(C)C)OC","HVOZYIAQUCRSPJ-UHFFFAOYSA-N","394606",NA,"PDBC16926","698186","Present"
-"2-Trimethylsilylethyl 4-[methoxy(methyl)phosphoryl]-3,6-dihydro-2H-pyridine-1-carboxylate","","","","","","","","","","","","","","","","","","","","2-Trimethylsilylethyl 4-[methoxy(methyl)phosphoryl]-3,6-dihydro-2H-pyridine-1-carboxylate","","COP(=O)(C)C1=CCN(CC1)C(=O)OCC[Si](C)(C)C","NLSOBAUVRXHOHQ-UHFFFAOYSA-N","394608",NA,"PDBC16927","698188","Present"
-"2-Trimethylstannyloxycyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-Trimethylstannyloxycyclohepta-2,4,6-trien-1-one","","","","",NA,"PDBC16928","644923","Present"
-"2-Triphenylphosphoranylidene-1-[2-[2-(2-triphenylphosphoranylideneacetyl)phenyl]phenyl]ethanone","","","","","","","","","","","","","","","","","","","","Ethanone, 1,1'-[(1,1'-biphenyl)-2,2'-diyl] bis[2-(triphe...","","C1=CC=C(C=C1)P(=CC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","HMLIJGSRQAHTFN-UHFFFAOYSA-N","381571",NA,"PDBC16929","668360","Present"
-"2-Undecylimidazoline","","","","","","","","","","","","","","","","","","","","2-Imidazoline, 2-undecyl-","","CCCCCCCCCCCC1=NCCN1","FQHUDZKKDCTQET-UHFFFAOYSA-N","245858",NA,"PDBC16930","58180","Present"
-"2-[(1,3,4-Trimethyl-2,6-dioxopyrimidin-5-yl)methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[(1,3,4-Trimethyl-2,6-dioxo-pyrimidin-5-yl)methylene]propanedinitrile","","CC1=C(C(=O)N(C(=O)N1C)C)C=C(C#N)C#N","NURGTXVLRXTBHV-UHFFFAOYSA-N","398630",NA,"PDBC16931","708597","Present"
-"2-[(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[(1,3-Dimethyl-2,4-dioxo-pyrimidin-5-yl)methylene]propanedinitrile","","CN1C=C(C(=O)N(C1=O)C)C=C(C#N)C#N","OOTNCYPQOQHKSN-UHFFFAOYSA-N","398627",NA,"PDBC16932","708594","Present"
-"2-[(1,3-Dioxoinden-2-ylidene)amino]guanidine;sulfuric acid","","","","","","","","","","","","","","","","","","","","2-[(1,3-Dioxoinden-2-ylidene)amino]guanidine;sulfuric acid","","C1=CC=C2C(=C1)C(=O)C(=NN=C(N)N)C2=O.OS(=O)(=O)O","SOBDEZABSRLUET-UHFFFAOYSA-N","54609874",NA,"PDBC16933","67925","Present"
-"2-[(1,5-Diphenyl-1,2,4-triazol-3-yl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide","","","","","","","","","","","","","","","","","","","","(3.4-dicarbamoyl-5-ethylthiopyrrol-2-yl)-(1.5-diphenyl-1...","","CCSC1=C(C(=C(N1)NC2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N)C(=O)N","RRGUACWYPKCYKA-UHFFFAOYSA-N","378537",NA,"PDBC16934","661171","Present"
-"2-[(1-Adamantylmethylamino)methyl]phenol","","","","","","","","","","","","","","","","","","","","NSC766445","","C1C2CC3CC1CC(C2)(C3)CNCC4=CC=CC=C4O","PHHQJRNBHFUTSH-UHFFFAOYSA-N","4041692",NA,"PDBC16935","766445","Present"
-"2-[(1-Anilino-4H-thiochromeno[3,4-d]imidazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","2-[(1-Anilino-4H-thiochromeno[3,4-d]imidazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide","","C1C2=C(C3=CC=CC=C3S1)N(C(=N2)SCC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl)NC6=CC=CC=C6","OFFIPAJYLGHKHR-UHFFFAOYSA-N","60148157",NA,"PDBC16936","753769","Present"
-"2-[(1-Benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(1-Benzoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid","","CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=CC=C3","OINAKONFDMULMT-UHFFFAOYSA-N","362548",NA,"PDBC16937","626622","Present"
-"2-[(1-Hydroxy-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-4-yl)oxy]acetic acid","","","","","","","","","","","","","","","","","","","","2-[(1-Hydroxy-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-4-yl)oxy]acetic acid","","C1CC(=O)C2=C(C=CC(=C2C(=O)C1)OCC(=O)O)O","XHYNQOLWLMMIGT-UHFFFAOYSA-N","361669",NA,"PDBC16938","624887","Present"
-"2-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]indene-1,3-dione","","","","","","","","","","","","","","","","","","","","(Z)-2-(1-Methyl-5-nitroimidazole-2-ylmethylene)-1,3-inda...","","CN1C(=CN=C1C=C2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]","BUWBDCKXKLWLFN-UHFFFAOYSA-N","44444332",NA,"PDBC16939","772275","Present"
-"2-[(1-Naphthylmethyl)thio]acetic acid","","","","","","","","","","","","","","","","","","","","Maybridge1_006523","","C1=CC=C2C(=C1)C=CC=C2CSCC(=O)O","ILWCKTCKRREVNT-UHFFFAOYSA-N","270324",NA,"PDBC16940","112702","Present"
-"2-[(1-Oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(1-Oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid","","C1CC2=C(C1)C3=C(CC(C3=O)CC4=CC=CC=C4C(=O)O)C=C2","QBXYCZCTPXCZBV-UHFFFAOYSA-N","385701",NA,"PDBC16941","677047","Present"
-"2-[(10-Methyl-9-oxoacridine-4-carbonyl)amino]-3-sulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-[(10-Methyl-9-oxo-acridine-4-carbonyl)amino]-3-sulfanyl-propanoic acid","","CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CS)C(=O)O","BMGVIQXHUBQNBD-UHFFFAOYSA-N","393799",NA,"PDBC16942","696567","Present"
-"2-[(10-Methyl-9-oxoacridine-4-carbonyl)amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[(10-Methyl-9-oxo-acridine-4-carbonyl)amino]acetic acid","","CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NCC(=O)O","DPYQHMFACILICN-UHFFFAOYSA-N","393796",NA,"PDBC16943","696564","Present"
-"2-[(10-Oxidoacridin-10-ium-9-yl)amino]-3-sulfanyl-propanoic acid","","","","","","","","","","","","","","","","","","","","N-(10-Hydroxy-10.lambda.~5~-acridin-9-yl)cysteine","","C1=CC=C2C(=C1)C(=NC(CS)C(=O)O)C3=CC=CC=C3N2O","WTDVUHBQGHLXIA-UHFFFAOYSA-N","494619",NA,"PDBC16944","627900","Present"
-"2-[(10-Oxidoacridin-10-ium-9-yl)amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[(10-Oxidoacridin-10-ium-9-yl)amino]acetic acid","","C1=CC=C2C(=C1)C(=NCC(=O)O)C3=CC=CC=C3N2O","VLSRPKZEZIAWME-UHFFFAOYSA-N","494621",NA,"PDBC16945","627902","Present"
-"2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid","","","","","","","","","","","","","","","","","","","","2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC(CS)C(=O)O","KMURGFIZSJATNI-UHFFFAOYSA-N","494613",NA,"PDBC16946","627894","Present"
-"2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]acetic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNCC(=O)O","JSUQESUMPVIEEY-UHFFFAOYSA-N","494615",NA,"PDBC16947","627896","Present"
-"2-[(11Bs)-6-oxo-4,4a,5,11b-tetrahydro-3H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl]acetic acid","","","","","","","","","","","","","","","","","","","","[(11Bs)-6-oxo-3,4,4a,5,6,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-4-yl]acetic acid","","C1C=CC2C(C1CC(=O)O)NC(=O)C3=CC4=C(C=C23)OCO4","VVVYVEBZOTYCIR-WWNCPBBQSA-N","375349",NA,"PDBC16948","654974","Present"
-"2-[(1E,3E)-Cyclotetradeca-1,3-dien-1-yl]propan-2-ol","","","","","","","","","","","","","","","","","","","","2-[(1E,3E)-Cyclotetradeca-1,3-dien-1-yl]propan-2-ol","","CC(C)(C1=CC=CCCCCCCCCCC1)O","ZGSAVJYRIRRUMZ-PQSJUVMFSA-N","5468654",NA,"PDBC16949","673535","Present"
-"2-[(1E,5E)-7-Chloro-2,6-dimethylhepta-1,5-dienyl]-4-methylideneoxolane","","","","","","","","","","","","","","","","","","","","2-[(1E,5E)-7-Chloro-2,6-dimethylhepta-1,5-dienyl]-4-methylideneoxolane","","CC(=CC1CC(=C)CO1)CCC=C(C)CCl","HRUBUKRQKSHKSA-IAVOFVOCSA-N","5387036",NA,"PDBC16950","619963","Present"
-"2-[(1H-Benzimidazol-2-ylamino)methyl]-4-chlorophenol","","","","","","","","","","","","","","","","","","","","NSC766497","","C1=CC=C2C(=C1)NC(=N2)NCC3=C(C=CC(=C3)Cl)O","CICSCGMRUIMBNF-UHFFFAOYSA-N","787413",NA,"PDBC16951","766497","Present"
-"2-[(1H-Benzimidazol-2-ylmethylamino)methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC681112","","C1=CC=C(C(=C1)CNCC2=NC3=CC=CC=C3N2)O.Cl","SUUPTKJYHGWJKM-UHFFFAOYSA-N","387359",NA,"PDBC16952","681112","Present"
-"2-[(1R,2R,10Z)-2-[Tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3,4,7,8,9,11a,12-octahydro-1H-azocino[1,2-a]indol-1-yl]-N-hex-5-enylacetamide","","","","","","","","","","","","","","","","","","","","2-[(1R,2R,10Z)-2-[Tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3,4,7,8,9,11a,12-octahydro-1H-azocino[1,2-a]indol-1-yl]-N-hex-5-enylacetamide","","CC(C)(C)[Si](C)(C)OC1CCC2=C(C1CC(=O)NCCCCC=C)CC3N2C(=O)CCCC=C3","KXYJMXIMQSTFBJ-LYLSYFFSSA-N","5471924",NA,"PDBC16953","715436","Present"
-"2-[(1R,2S,5S,6S,9Z,10R)-1,6-Dihydroxy-6-methyl-10-(3-hydroxypropyl)-2-[(2E,4E)-5,9-dimethyl-1-methylene-2,4,8-decatrienyl]spiro[4.5]decan-9-ylidene]propanal","","","","","","","","","","","","","","","","","","","","(+)-(6R,10S,11S,14S,26R)-26-Hydroxy-15-methylidenespiroi...","","CC(=CCCC(=CC=CC(=C)C1CCC2(C1O)C(C(=C(C)C=O)CCC2(C)O)CCCO)C)C","CKYPHBIOFUNLLX-GUUGYBTRSA-N","11969876",NA,"PDBC16954","631940","Present"
-"2-[(1S)-1-Benzyl-2-[2-(hydroxymethyl)pyrrol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[(1S)-1-Benzyl-2-[2-(hydroxymethyl)pyrrol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione","","C1=CC=C(C=C1)CC(C(=O)N2C=CC=C2CO)N3C(=O)C4=CC=CC=C4C3=O","FLSHQBKIXVUISS-IBGZPJMESA-N","473077",NA,"PDBC16955","670869","Present"
-"2-[(1S,2R,5E,9E,12S,13S)-2-Hydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-13-yl]prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","2-[(1S,2R,5E,9E,12S,13S)-2-Hydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-13-yl]prop-2-enoic acid","","CC1=CCCC(C2CC(C(O2)CC(=CCC1)C)C(=C)C(=O)O)(C)O","WNXYCXRMIDOLOU-ULYAPGBTSA-N","5470069",NA,"PDBC16956","697267","Present"
-"2-[(1S,2S)-2-Aminocyclohexyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(1S,2S)-2-Aminocyclohexyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one;hydrochloride","","C1CCC(C(C1)N)N2C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O.Cl","KSWCAONXNAQFEC-NYQAKZAPSA-N","54612564",NA,"PDBC16957","710120","Present"
-"2-[(1S,2S,4As,4bR,10aR)-2,4b-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-3,4,4a,5,6,9,10,10a-octahydro-1H-phenanthren-1-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","13.alpha.-(5'-methyl-1',3',4'-oxadiazol-2'-yl)-13,16-sec...","","CC1=NN=C(O1)C2(CCC3C(C2CC#N)CCC4=CC(=O)CCC34C)C","KTHVYZXHUUBNJL-JOTVOLILSA-N","388021",NA,"PDBC16958","682446","Present"
-"2-[(1S,2S,4As,4bR,7S,10aR)-7-hydroxy-2,4b-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","3.beta.-Hydroxy-13.alpha.-(5'-methyl-1',3',4'-oxadiazol-...","","CC1=NN=C(O1)C2(CCC3C(C2CC#N)CC=C4C3(CCC(C4)O)C)C","MSUKZWYMQILIBD-QWSDNZPMSA-N","388020",NA,"PDBC16959","682445","Present"
-"2-[(1S,4E,9S,10S,11R,12S,14R)-14-Acetyloxy-10-hydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","2-[(1S,4E,9S,10S,11R,12S,14R)-14-Acetyloxy-10-hydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoic acid","","CC1CCCC(=CCCC2(C(CC(C(C1O)O2)C(=C)C(=O)O)OC(=O)C)C)C","YVRIFMKYDPCKLL-GMGHCVLVSA-N","5470112",NA,"PDBC16960","697733","Present"
-"2-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzamide","","","","","","","","","","","","","","","","","","","","Benzamide, 2-(3,3-dimethyl-1-triazenyl)-5-nitro- (9CI)","","CN(C)N=NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N","JSIMNNUQUYWHET-UHFFFAOYSA-N","286093",NA,"PDBC16961","143908","Present"
-"2-[(2,17-Dimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethanol;hydroiodide","","","","","","","","","","","","","","","","","","","","2-[(2,17-Dimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethanol;hydroiodide","","CC1=C2C=CC=C2C(=CC3=C1N(C4=CC=CC=C43)C)OCCO.I","YBFZCIUMOYBRKN-UHFFFAOYSA-N","400404",NA,"PDBC16962","711960","Present"
-"2-[(2,2,4,4-Tetraoxo-1,5,2,4-dioxadithiepan-3-yl)methyl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[(2,2,4,4-Tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methyl]-1H-isoindole-1,3(2H)-dione","","C1COS(=O)(=O)C(S(=O)(=O)O1)CN2C(=O)C3=CC=CC=C3C2=O","NMKBJGVPAPIQEU-UHFFFAOYSA-N","383372",NA,"PDBC16963","671536","Present"
-"2-[(2,2,4,4-Tetraoxo-1,5,2,4-dioxadithiepan-3-yl)methylcarbamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-{[(2,2,4,4-Tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methyl]carbamoyl}benzoic acid","","C1COS(=O)(=O)C(S(=O)(=O)O1)CNC(=O)C2=CC=CC=C2C(=O)O","ZDDLMDFQFAKVED-UHFFFAOYSA-N","383373",NA,"PDBC16964","671537","Present"
-"2-[(2,3-Dihydroxyphenyl)-(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[(2,3-Dihydroxyphenyl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione","","CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(C(=CC=C3)O)O)C","MQECCVSOXCCXSI-UHFFFAOYSA-N","330812",NA,"PDBC16965","320209","Present"
-"2-[(2,4-Dichlorophenoxy)methyl]-5-[8-[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-[(2,4-dichlorophenoxy)methyl]-5-[8-[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole","","C1=CC(=C(C=C1Cl)Cl)OCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)COC4=C(C=C(C=C4)Cl)Cl","UXZCMLAREIEKQS-UHFFFAOYSA-N","394041",NA,"PDBC16966","697159","Present"
-"2-[(2,4-Dichlorophenyl)-(imidazol-1-ylmethoxy)methyl]-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2-[(2,4-Dichlorophenyl)-(imidazol-1-ylmethoxy)methyl]-1H-benzimidazole","","C1=CC=C2C(=C1)NC(=N2)C(C3=C(C=C(C=C3)Cl)Cl)OCN4C=CN=C4","ZBWKROZHSABEDR-UHFFFAOYSA-N","387861",NA,"PDBC16967","682072","Present"
-"2-[(2,4-Dicyano-1h-imidazol-5-yl)carbamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(2,4-Dicyano-1h-imidazol-5-yl)carbamoyl]benzoic acid","","C1=CC=C(C(=C1)C(=O)NC2=C(NC(=N2)C#N)C#N)C(=O)O","IAEVEMUKZQHNBD-UHFFFAOYSA-N","389108",NA,"PDBC16968","684793","Present"
-"2-[(2,4-Dimethoxypyrimidin-5-yl)methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[(2,4-Dimethoxypyrimidin-5-yl)methylene]propanedinitrile","","COC1=NC(=NC=C1C=C(C#N)C#N)OC","PDEKCYUBNQNKAO-UHFFFAOYSA-N","398629",NA,"PDBC16969","708596","Present"
-"2-[(2,4-Dioxo-1H-pyrimidin-5-yl)methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[(2,4-Dioxo-1h-pyrimidin-5-yl)methylene]propanedinitrile","","C1=C(C(=O)NC(=O)N1)C=C(C#N)C#N","KETXIFCFANKESU-UHFFFAOYSA-N","398628",NA,"PDBC16970","708595","Present"
-"2-[(2,4-Dioxo-3-propargyl-5-chloro-1,2,3,4-tetrahydropyrimidine)-1-yl]maleic acid diethyl ester","","","","","","","","","","","","","","","","","","","","2-Butenedioic acid, 2-[5-chloro-2,4-dioxo-3-(2-propynyl)...","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)Cl","RSJAYDGPRDQPMW-DHZHZOJOSA-N","5470766",NA,"PDBC16971","704886","Present"
-"2-[(2,4-Dioxo-3-propargyl-5-iodo-1,2,3,4-tetrahydropyrimidine)-1-yl]fumaric acid diethyl ester","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-(5-iodo-2,4-dioxo-3-prop-2-ynylpyrimidin-1-yl)but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)I","FNLWEUUYSUQORI-FLIBITNWSA-N","5470764",NA,"PDBC16972","704884","Present"
-"2-[(2,4-Dioxo-3-propargyl-5-iodo-1,2,3,4-tetrahydropyrimidine)-1-yl]maleic acid diethyl ester","","","","","","","","","","","","","","","","","","","","2-Butenedioic acid, 2-[5-iodo-2,4-dioxo-3-(2-propynyl)-1...","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)I","FNLWEUUYSUQORI-DHZHZOJOSA-N","5470765",NA,"PDBC16973","704885","Present"
-"2-[(2,4-Dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[(2,4-Dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)methoxy]ethyl acetate","","CC(=O)OCCOCN1C2=C(CCC2)C(=O)NC1=O","ZBTXBLXGWOFXGV-UHFFFAOYSA-N","385449",NA,"PDBC16974","676687","Present"
-"2-[(2,5-Dimethoxyphenyl)-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-yl)methoxy]-N,N-diethylethanamine","","","","","","","","","","","","","","","","","","","","2-[(2,5-Dimethoxyphenyl)-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-yl)methoxy]-N,N-diethylethanamine","","CCN(CC)CCOC(C1=CC=C2N1C3=CC=CC=C3OC2)C4=C(C=CC(=C4)OC)OC","LWEQIHCJYLJSBS-UHFFFAOYSA-N","403778",NA,"PDBC16975","719251","Present"
-"2-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","CC1=CN2C(=C(N=C2S1)C)CC3=C(C(=O)C(=C(C3=O)OC)OC)C","QYBTWCFMAJOPGY-UHFFFAOYSA-N","403954",NA,"PDBC16976","719720","Present"
-"2-[(2-Amino-6-chloropyrimidin-4-yl)amino]ethanol","","","","","","","","","","","","","","","","","","","","NSC77427","","C1=C(N=C(N=C1Cl)N)NCCO","HCFWGTJOPSZOLK-UHFFFAOYSA-N","235898",NA,"PDBC16977","77427","Present"
-"2-[(2-Amino-7H-purin-6-yl)sulfanyl]-1-(4-bromophenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-((2-Amino-9H-purin-6-yl)thio)-1-(4-bromophenyl)ethanone","","C1=CC(=CC=C1C(=O)CSC2=NC(=NC3=C2NC=N3)N)Br","QCIUQGMYQZLWQV-UHFFFAOYSA-N","3246139",NA,"PDBC16978","38733","Present"
-"2-[(2-Aminophenoxy)methyl]-5-phenylmethoxypyran-4-one","","","","","","","","","","","","","","","","","","","","2-[(2-Aminophenoxy)methyl]-5-(benzyloxy)-4h-pyran-4-one","","C1=CC=C(C=C1)COC2=COC(=CC2=O)COC3=CC=CC=C3N","APGUQPPSDKAKAV-UHFFFAOYSA-N","404688",NA,"PDBC16979","721127","Present"
-"2-[(2-Aminophenyl)sulfanyl]benzenecarbonitrile","","","","","","","","","","","","","","","","","","","","MS-2667","","C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2N","RROSHIIMNNWHFW-UHFFFAOYSA-N","366233",NA,"PDBC16980","634569","Present"
-"2-[(2-Aminophenyl)sulfanylmethyl]-3-methoxy-xanthen-9-one","","","","","","","","","","","","","","","","","","","","2-[(2-Aminophenyl)sulfanylmethyl]-3-methoxy-xanthen-9-one","","COC1=CC2=C(C=C1CSC3=CC=CC=C3N)C(=O)C4=CC=CC=C4O2","VMGAYMORJUGJIC-UHFFFAOYSA-N","330512",NA,"PDBC16981","319447","Present"
-"2-[(2-Bromo-3-methylbutanoyl)amino]acetic acid","","","","","","","","","","","","","","","","","","","","NSC163138","","CC(C)C(C(=O)NCC(=O)O)Br","JDPOKKNSGDLJEF-UHFFFAOYSA-N","97928",NA,"PDBC16982","163138","Present"
-"2-[(2-Bromo-4-methylphenoxy)methyl]oxirane","","","","","","","","","","","","","","","","","","","","2-[(2-Bromo-4-methylphenoxy)methyl]oxirane","","CC1=CC(=C(C=C1)OCC2CO2)Br","DAQKAYNUNRPQFT-UHFFFAOYSA-N","334089",NA,"PDBC16983","338423","Present"
-"2-[(2-But-3-enyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol","","","","","","","","","","","","","","","","","","","","2-[(2-But-3-enyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol","","CC(C)(CO)N(C)CC1=C(C=C(C=C1)OC)CCC=C","BINFJPNIBPVUNR-UHFFFAOYSA-N","359339",NA,"PDBC16984","620125","Present"
-"2-[(2-Carboxy-3,5-dimethyl-phenyl)disulfanyl]-4,6-dimethyl-benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(2-Carboxy-3,5-dimethyl-phenyl)disulfanyl]-4,6-dimethyl-benzoic acid","","CC1=CC(=C(C(=C1)SSC2=CC(=CC(=C2C(=O)O)C)C)C(=O)O)C","FHCLOEXCMXHLHW-UHFFFAOYSA-N","365535",NA,"PDBC16985","633232","Present"
-"2-[(2-Carboxy-4-methylphenyl)disulfanyl]-5-methylbenzoic acid","","","","","","","","","","","","","","","","","","","","2-[(2-Carboxy-4-methyl-phenyl)disulfanyl]-5-methyl-benzoic acid","","CC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C)C(=O)O)C(=O)O","VKTJWKGPIVTERS-UHFFFAOYSA-N","365534",NA,"PDBC16986","633231","Present"
-"2-[(2-Carboxyethyl)amino]benzoic acid","","","","","","","","","","","","","","","","","","","","IFLab1_004288","","C1=CC=C(C(=C1)C(=O)O)NCCC(=O)O","IMRIVMODOMQPRR-UHFFFAOYSA-N","266800",NA,"PDBC16987","105597","Present"
-"2-[(2-Chloro-4-nitrophenanthridin-6-yl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[(2-Chloro-4-nitrophenanthridin-6-yl)amino]ethanol","","C1=CC=C2C(=C1)C3=C(C(=CC(=C3)Cl)[N+](=O)[O-])N=C2NCCO","VSWCCNDGUZELDO-UHFFFAOYSA-N","289037",NA,"PDBC16988","150432","Present"
-"2-[(2-Chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-[(2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=C(N=C3N2C=C(S3)Cl)C4=CC=CC=C4","AMMQHJLNQBHIJM-UHFFFAOYSA-N","403958",NA,"PDBC16989","719724","Present"
-"2-[(2-Chlorobenzoyl)amino]benzamide","","","","","","","","","","","","","","","","","","","","STK164069","","C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC=CC=C2Cl","VORNVFBTYKBDHT-UHFFFAOYSA-N","295303",NA,"PDBC16990","164464","Present"
-"2-[(2-Chlorobenzoyl)carbamothioylamino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide","","","","","","","","","","","","","","","","","","","","N-(3.4-dicarbamoyl-5-ethylthiopyrrol-2-yl)-N'-(2-chlorob...","","CCSC1=C(C(=C(N1)NC(=S)NC(=O)C2=CC=CC=C2Cl)C(=O)N)C(=O)N","MVEGETBHIZMUSC-UHFFFAOYSA-N","3004911",NA,"PDBC16991","661169","Present"
-"2-[(2-Chlorobenzyl)thio]ethylamine","","","","","","","","","","","","","","","","","","","","ALBB-027070","","C1=CC=C(C(=C1)CSCCN)Cl","CEOBXCFVZOZDFM-UHFFFAOYSA-N","234909",NA,"PDBC16992","35755","Present"
-"2-[(2-Chloroethylamino)methyl]-4-[3-[(2-chloroethylamino)methyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(2-Chloroethylamino)methyl]-4-[3-[(2-chloroethylamino)methyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride","","C=CCC1=C(C(=CC(=C1)C2=CC(=C(C(=C2)CNCCCl)O)CC=C)CNCCCl)O.Cl","REBFOGMUTJWTGN-UHFFFAOYSA-N","24183144",NA,"PDBC16993","24341","Present"
-"2-[(2-Chlorophenanthridin-6-yl)amino]butan-1-ol","","","","","","","","","","","","","","","","","","","","2-[(2-chloranylphenanthridin-6-yl)amino]butan-1-ol","","CCC(CO)NC1=NC2=C(C=C(C=C2)Cl)C3=CC=CC=C31","SFWJGPYRSHHELS-UHFFFAOYSA-N","287384",NA,"PDBC16994","147358","Present"
-"2-[(2-Chlorophenyl)amino]-4-(2,4-dichlorobenzylidene)-1H-imidazole-5(4H)-one","","","","","","","","","","","","","","","","","","","","2-[(2-Chlorophenyl)amino]-4-(2,4-dichlorobenzylidene)-1H-imidazole-5(4H)-one","","C1=CC=C(C(=C1)N=C2NC(=CC3=C(C=C(C=C3)Cl)Cl)C(=O)N2)Cl","JLSUZMDDMLEQEG-AUWJEWJLSA-N","135436262",NA,"PDBC16995","716495","Present"
-"2-[(2-Chlorophenyl)amino]-4-(2,6-dichlorobenzylidene)-1H-imidazole-5(4H)-one","","","","","","","","","","","","","","","","","","","","2-[(2-Chlorophenyl)amino]-4-(2,6-dichlorobenzylidene)-1H-imidazole-5(4H)-one","","C1=CC=C(C(=C1)N=C2NC(=CC3=C(C=CC=C3Cl)Cl)C(=O)N2)Cl","RPZLDLZOANOWRT-ZSOIEALJSA-N","135436261",NA,"PDBC16996","716494","Present"
-"2-[(2-Chlorophenyl)methyl]-5-nitro-1H-indazol-3-one","","","","","","","","","","","","","","","","","","","","2-[(2-Chlorophenyl)methyl]-5-nitro-1H-indazol-3-one","","C1=CC=C(C(=C1)CN2C(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-])Cl","LTIVKATZDMMDHZ-UHFFFAOYSA-N","438824",NA,"PDBC16997","675827","Present"
-"2-[(2-Fluorophenyl)azo]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one","","","","","","","","","","","","","","","","","","","","2-[(2-Fluorophenyl)azo]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one","","C1=CC=C2C(=C1)NC3=C(C(=C(C(=O)N23)N=NC4=CC=CC=C4F)O)C#N","CJOWPQVPMVYIOL-UHFFFAOYSA-N","135409209",NA,"PDBC16998","666276","Present"
-"2-[(2-Fluorophenyl)methyl]-1-methyl-5-nitro-indazol-3-one","","","","","","","","","","","","","","","","","","","","2-[(2-Fluorophenyl)methyl]-1-methyl-5-nitro-indazol-3-one","","CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3F","HDIQTNBNWDYXAH-UHFFFAOYSA-N","386346",NA,"PDBC16999","678129","Present"
-"2-[(2-Fluorophenyl)methyl]-1H-benzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(2-Fluorobenzyl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","C1=CC=C(C(=C1)CC2=NC3=C(N2)C(=O)C4=CC=CC=C4C3=O)F","PIDUVAFPMCGDFA-UHFFFAOYSA-N","371180",NA,"PDBC17000","645212","Present"
-"2-[(2-Hydroxy-5-methyl-phenyl)-(2-hydroxy-5-nitro-phenyl)methyl]-4-methyl-phenol","","","","","","","","","","","","","","","","","","","","2-[(2-Hydroxy-5-methyl-phenyl)-(2-hydroxy-5-nitro-phenyl)methyl]-4-methyl-phenol","","CC1=CC(=C(C=C1)O)C(C2=C(C=CC(=C2)C)O)C3=C(C=CC(=C3)[N+](=O)[O-])O","CXFLPJFRXKVYSF-UHFFFAOYSA-N","389722",NA,"PDBC17001","686314","Present"
-"2-[(2-Hydroxy-5-methyl-phenyl)-(4-nitrophenyl)methyl]-4-methyl-phenol","","","","","","","","","","","","","","","","","","","","2-[(2-Hydroxy-5-methyl-phenyl)-(4-nitrophenyl)methyl]-4-methyl-phenol","","CC1=CC(=C(C=C1)O)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=CC(=C3)C)O","CZNHQZPCHAREFL-UHFFFAOYSA-N","389721",NA,"PDBC17002","686313","Present"
-"2-[(2-Hydroxynaphthalen-1-yl)amino]-4-methylpentanoic acid","","","","","","","","","","","","","","","","","","","","2-[(2-Hydroxynaphthalen-1-yl)amino]-4-methylpentanoic acid","","CC(C)CC(C(=O)O)NC1=C(C=CC2=CC=CC=C21)O","RBPGXFHOIUGOGZ-UHFFFAOYSA-N","279422",NA,"PDBC17003","129925","Present"
-"2-[(2-Hydroxynaphthalen-1-yl)diazenyl]fluoren-9-one","","","","","","","","","","","","","","","","","","","","2-[(2-Hydroxynaphthalen-1-yl)diazenyl]fluoren-9-one","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=C3)C5=CC=CC=C5C4=O)O","MKQOYENIVZCGJP-UHFFFAOYSA-N","408282",NA,"PDBC17004","12405","Present"
-"2-[(2-Imino-3H-thiazol-5-yl)sulfanyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(2-Imino-3H-thiazol-5-yl)sulfanyl]benzoic acid","","C1=CC=C(C(=C1)C(=O)O)SC2=CN=C(S2)N","NLEZXFVPRPSTOE-UHFFFAOYSA-N","391253",NA,"PDBC17005","690150","Present"
-"2-[(2-Methoxy-6-nitroacridin-9-yl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[(2-Methoxy-6-nitroacridin-9-yl)amino]ethanol","","COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NCCO","SRRFTJXVLGVGBA-UHFFFAOYSA-N","384256",NA,"PDBC17006","673802","Present"
-"2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethyl imidazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethyl imidazole-1-carboxylate","","CC1=C2C=CC=C2C(=CC3=C1NC4=CC=CC=C43)OCCOC(=O)N5C=CN=C5","PYPCCZJSFSVNLG-UHFFFAOYSA-N","401131",NA,"PDBC17007","714068","Present"
-"2-[(2-Nitrophenyl)amino]-3-cyanothiophene","","","","","","","","","","","","","","","","","","","","ACM186792858","","C1=CC=C(C(=C1)NC2=C(C=CS2)C#N)[N+](=O)[O-]","BGBMKHNXWAGHQD-UHFFFAOYSA-N","395461",NA,"PDBC17008","700024","Present"
-"2-[(2-Oxo-2-phenylethyl)sulfanyl]acetic acid","","","","","","","","","","","","","","","","","","","","CBMicro_047409","","C1=CC=C(C=C1)C(=O)CSCC(=O)O","NNNVHZPLMZHPBQ-UHFFFAOYSA-N","290218",NA,"PDBC17009","153308","Present"
-"2-[(2-Oxo-3,7-dihydropurin-6-yl)sulfanyl]-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[(2-Oxo-3,7-dihydropurin-6-yl)sulfanyl]-N-phenylacetamide","","C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NC3=C2NC=N3","JMYMHRKIRMZJLE-UHFFFAOYSA-N","403032",NA,"PDBC17010","717505","Present"
-"2-[(2-Oxo-4-thioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[(2-Oxo-4-thioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)methoxy]ethyl acetate","","CC(=O)OCCOCN1C2=C(CCC2)C(=S)NC1=O","FRBXUAVLUJTMMP-UHFFFAOYSA-N","3005138",NA,"PDBC17011","676688","Present"
-"2-[(2-Phenyl-1H-indol-3-yl)methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","[(2-phenyl-1H-indol-3-yl)methylene]malononitrile","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)C#N","BGMDXKBEYJSRHO-UHFFFAOYSA-N","809566",NA,"PDBC17012","746685","Present"
-"2-[(2-Thiazolyl)amino]ethyl-3,6-trichlorohydroquinone","","","","","","","","","","","","","","","","","","","","2-[(2-thiazolyl)amino]ethyl-3,5,6-trichlorohydroquinone","","C1=CSC(=N1)NCCC2=C(C(=C(C(=C2Cl)O)Cl)Cl)O","GRAQIRKMUUFLSU-UHFFFAOYSA-N","406195",NA,"PDBC17013","724208","Present"
-"2-[(2-Thioxo-3H-benzimidazol-1-yl)methylene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[(2-Thioxo-3H-benzimidazol-1-yl)methylene]propanedinitrile","","C1=CC=C2C(=C1)NC(=S)N2C=C(C#N)C#N","FYCHLSWUTQVZLK-UHFFFAOYSA-N","3004562",NA,"PDBC17014","658344","Present"
-"2-[(2E)-2-(2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)amino]carbonyl}-7-hydroxy-4H-chromen-4-ylidene)hydrazino]-N,N,N-trimethyl-2-oxoethanaminium chloride","","","","","","","","","","","","","","","","","","","","[2-[(2E)-2-[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-7-hydroxychromen-4-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NNC(=O)C[N+](C)(C)C)C4=C(O3)C=C(C=C4)O.[Cl-]","KFXAXWGKQHRZLV-UHFFFAOYSA-N","135483956",NA,"PDBC17015","642054","Present"
-"2-[(2E)-2-(Dimethylhydrazono)-4,6,6-trimethyl-cyclohex-3-en-1-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol","","","","","","","","","","","","","","","","","","","","2-[(2E)-2-(Dimethylhydrazono)-4,6,6-trimethyl-cyclohex-3-en-1-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol","","CC1=CC(=NN(C)C)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O","MGDUYPZRGRNIPL-ZVBGSRNCSA-N","9571443",NA,"PDBC17016","663997","Present"
-"2-[(2E)-2-Benzylidenehydrazinyl]-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-[(2E)-2-Benzylidenehydrazinyl]-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile","","CN1C(=O)C(=C(N=C1NN=CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N","HYCQEKLJURPIJZ-CIAFOILYSA-N","9572610",NA,"PDBC17017","722325","Present"
-"2-[(2E)-2-Benzylidenehydrazinyl]-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol","","","","","","","","","","","","","","","","","","","","2-[(2E)-2-Benzylidenehydrazinyl]-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol","","C1=CC=C(C=C1)C=NNC2=NC(=C(N2)C=C3C=NC4=CC=CC=C43)O","CRBAGGBMCDLYGV-PWWZPONFSA-N","135505204",NA,"PDBC17018","704855","Present"
-"2-[(2E)-2-[(4-Dimethylaminophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","4-(Dimethylamino)benzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone","","CN(C)C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4","ABJMLCCVOGYIJW-LFVJCYFKSA-N","9571456",NA,"PDBC17019","666362","Present"
-"2-[(2E)-2-[(4-Methoxyphenyl)methylidene]hydrazinyl]-4-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one","","","","","","","","","","","","","","","","","","","","2-[(2E)-2-[(4-Methoxyphenyl)methylidene]hydrazinyl]-4-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one","","CC1=C2C(=NC(=N1)NN=CC3=CC=C(C=C3)OC)NC4=CC=CC=C4NC2=O","FUFDNUOHJCIJNF-SRZZPIQSSA-N","9571771",NA,"PDBC17020","648203","Present"
-"2-[(2E)-2-[(4-Nitrophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-[(2E)-2-[(4-Nitrophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NN=CC4=CC=C(C=C4)[N+](=O)[O-]","GSYLIBKONXYFGQ-HYARGMPZSA-N","9571453",NA,"PDBC17021","666355","Present"
-"2-[(2E)-2-[(5-Bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","2-[(2E)-2-[(5-Bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one","","CC1=CC(=O)NC(=N1)NN=CC2=C(C=CC(=C2)Br)O","FUEYAMPVHZVECP-MKMNVTDBSA-N","135458781",NA,"PDBC17022","97960","Present"
-"2-[(2E)-2-[[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methylene]hydrazino]allyl-trimethyl-ammonium","","","","","","","","","","","","","","","","","","","","2-[(2E)-2-[[4,5-Bis(3,4-dimethoxyphenyl)-3-nitrofuran-2-yl]methylidene]hydrazinyl]prop-2-enyl-trimethylazanium;chloride","","C[N+](C)(C)CC(=C)NN=CC1=C(C(=C(O1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-].[Cl-]","GHCHRNKZPGRXRX-JVIVJJPTSA-M","9555890",NA,"PDBC17023","647260","Present"
-"2-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-1-isopropylidene-4-methyl-cyclohexane; 1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-ethyl]-4-methyl-cyclohexene","","","","","","","","","","","","","","","","","","","","2-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-4-methyl-1-propan-2-ylidenecyclohexane;1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-2-yl]-4-methylcyclohexene","","CC1CCC(=CC1)C(C)(C)OCC=C(C)CCC=C(C)C.CC1CCC(=C(C)C)C(C1)OCC=C(C)CCC=C(C)C","AIKDUJTUBBMUDW-OYGNFUGKSA-N","5467750",NA,"PDBC17024","658702","Present"
-"2-[(2E,6E,10E,14Z,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-[(2E,6E,10E,14Z,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,4-diol","","CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)O)O)C)C)C)C)C)C)C)C","RFUXBANISHMTPU-YKVBXYFXSA-N","5470495",NA,"PDBC17025","702326","Present"
-"2-[(2E,6E,10E,14Z,18Z,22E,26E)-19-(Hydroxymethyl)-3,7,11,15,23,27,31-heptamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","Benzene-1,4-diol, 2-[19-(hydroxymethyl)-3,7,11,15,23,27,...","","CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)O)O)C)C)C)C)CO)C)C)C","XLDYHBQVTLATGU-JAQZSTLASA-N","5470496",NA,"PDBC17026","702327","Present"
-"2-[(2R,6S,14S)-11,15-Dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol","","","","","","","","","","","","","","","","","","","","2-[(2R,6S,14S)-11,15-Dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol","","CC(C)(C)C(C)(C1CC23CCC1(C4C25CCNC3CC6=C5C(=C(C=C6)OC)O4)OC)O","GUFHEIAUPRGDNQ-TVOSJGBMSA-N","6712749",NA,"PDBC17027","708961","Present"
-"2-[(2R,6S,14S)-5-(2-Aminoethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol","","","","","","","","","","","","","","","","","","","","2-[(2R,6S,14S)-5-(2-Aminoethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol","","CCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)CCN)OC)O","FPDPXKLLTMUGLJ-FQVGRBKKSA-N","6712750",NA,"PDBC17028","708962","Present"
-"2-[(2S,14R,15S,16R)-11,15-Dimethoxy-5,14-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]propan-2-ol","","","","","","","","","","","","","","","","","","","","(-)-4,5.alpha.-Epoxy-3,6-dimethoxy-.alpha.,.alpha.,5,N- ...","","CC12C34CCN(C(C35CC(C1(C=C5)OC)C(C)(C)O)CC6=C4C(=C(C=C6)OC)O2)C","YXOXUJMHKADYOS-YVSYQHMASA-N","6711549",NA,"PDBC17029","630763","Present"
-"2-[(2S,4R)-5,5-Dimethyl-4-phenyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl]pyridine","","","","","","","","","","","","","","","","","","","","2-[(2S,4R)-5,5-Dimethyl-4-phenyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl]pyridine","","CC1(COP(=S)(OC1C2=CC=CC=C2)C3=CC=CC=N3)C","PFWNRRXWRSEWGF-QRWLVFNGSA-N","9572298",NA,"PDBC17030","710454","Present"
-"2-[(2S,4S)-4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[(2S,4S)-4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]acetonitrile","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4(CC(OC4=O)CC#N)O","PCCOPHVIKANNGU-BTYIYWSLSA-N","24936179",NA,"PDBC17031","743898","Present"
-"2-[(2S,6R,14R)-11,15-Dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol","","","","","","","","","","","","","","","","","","","","2-[(2S,6R,14R)-11,15-Dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol","","CCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC)O","LOOHQOHHYOAWOS-AIPYYZPVSA-N","6712730",NA,"PDBC17032","707488","Present"
-"2-[(2Z)-1,1-Dioxo-2-[(2E,4E,6E)-7-(5-piperidin-1-ylthiophen-2-yl)hepta-2,4,6-trienylidene]-1-benzothiophen-3-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[(2Z)-1,1-Dioxo-2-[(2E,4E,6E)-7-(5-piperidin-1-ylthiophen-2-yl)hepta-2,4,6-trienylidene]-1-benzothiophen-3-ylidene]propanedinitrile","","C1CCN(CC1)C2=CC=C(S2)C=CC=CC=CC=C3C(=C(C#N)C#N)C4=CC=CC=C4S3(=O)=O","WLKSVWUJMMVACP-FZIUFXEMSA-N","5471042",NA,"PDBC17033","707783","Present"
-"2-[(2Z)-2-(2,3,4,5-Tetrahydroxypentylidene)hydrazinyl]-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","NSC691092///NSC691099","","C1=CC=C2C(=C1)C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O","UTIVVZUTKDIEAQ-RZNTYIFUSA-N","135505149",NA,"PDBC17034","691092///691099","Present"
-"2-[(2Z)-2-Phenacylidene-1,4-benzothiazin-3-yl]-1-phenylethanone","","","","","","","","","","","","","","","","","","","","2-[(2Z)-2-Phenacylidene-1,4-benzothiazin-3-yl]-1-phenylethanone","","C1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3SC2=CC(=O)C4=CC=CC=C4","ZCWVVNMCDXMIKN-JLPGSUDCSA-N","5472606",NA,"PDBC17035","720429","Present"
-"2-[(3,4,5-Trimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline","","","","","","","","","","","","","","","","","","","","2-[3,4,5-(trimethoxy)anilino]-3-phenyl-5,7-diammino quin...","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","GICRJTKAQVGUGG-UHFFFAOYSA-N","404585",NA,"PDBC17036","720934","Present"
-"2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline","","","","","","","","","","","","","","","","","","","","2-[(3,4-dicloro)anilino]-3-phenyl-5,7-diamino quinoxaline","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NC4=CC(=C(C=C4)Cl)Cl)N)N","BJJFDFPYWNZIKB-UHFFFAOYSA-N","24203444",NA,"PDBC17037","728037","Present"
-"2-[(3,4-Dichlorophenyl)methyl]-1H-benzo[f]benzimidazole","","","","","","","","","","","","","","","","","","","","2-(3,4-dichloro-benzyl)-1H-naphth[2,3-d]imidazole","","C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC(=C(C=C4)Cl)Cl","ZPZKXVCABZIJGD-UHFFFAOYSA-N","405627",NA,"PDBC17038","722997","Present"
-"2-[(3,4-Dimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline","","","","","","","","","","","","","","","","","","","","2-[(3,4-dimethoxy)anilino]-3-phenyl-5,7-diaminoquinoxaline","","COC1=C(C=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","AMDGRINHHRBMDZ-UHFFFAOYSA-N","406624",NA,"PDBC17039","724864","Present"
-"2-[(3,4-Dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-2-phenylacetonitrile","","","","","","","","","","","","","","","","","","","","[(3,4-Dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-yl)oxy](phenyl)acetonitrile","","CC1C(OP(=O)(N1C)OC(C#N)C2=CC=CC=C2)C3=CC=CC=C3","GYRYPIPDIMXQEW-UHFFFAOYSA-N","400228",NA,"PDBC17040","711746","Present"
-"2-[(3,4-Dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-2-phenylhexanenitrile","","","","","","","","","","","","","","","","","","","","2-[(3,4-Dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-yl)oxy]-2-phenylhexanenitrile","","CCCCC(C#N)(C1=CC=CC=C1)OP2(=O)N(C(C(O2)C3=CC=CC=C3)C)C","RFRXJCCNBXBDKH-UHFFFAOYSA-N","400234",NA,"PDBC17041","711752","Present"
-"2-[(3,4-Dimethylphenyl)carbamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethylphenylcarbamoyl)benzoic acid","","CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)C","DBKSCNINEZDXAU-UHFFFAOYSA-N","295107",NA,"PDBC17042","164263","Present"
-"2-[(3,5-Dibromo-2-ethoxyphenyl)methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","Propanedinitrile, [(3,5-dibromo-2-ethoxyphenyl)methylene]-","","CCOC1=C(C=C(C=C1Br)Br)C=C(C#N)C#N","STZBTXRTNMNVGJ-UHFFFAOYSA-N","295572",NA,"PDBC17043","164970","Present"
-"2-[(3,5-Dimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline","","","","","","","","","","","","","","","","","","","","2-[3,5-(dimethoxy)anilino]-3-phenyl-5,7-diammino quinoxa...","","COC1=CC(=CC(=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","AFBYNDQCDGJGBD-UHFFFAOYSA-N","405140",NA,"PDBC17044","722177","Present"
-"2-[(3,5-Dimethoxybenzoyl)amino]-3-(ethylamino)-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-[(3,5-Dimethoxybenzoyl)amino]-3-(ethylamino)-1,4-naphthoquinone","","CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC(=CC(=C3)OC)OC","FYBLJZWDOQWAOU-UHFFFAOYSA-N","377408",NA,"PDBC17045","658851","Present"
-"2-[(3,5-Dimethoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-[(3,5-Dimethoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone","","COC1=CC(=CC(=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)OC","VOXQMBVJNHOSCK-UHFFFAOYSA-N","377407",NA,"PDBC17046","658850","Present"
-"2-[(3,5-Ditert-butyl-4-hydroxyphenyl)methyl]indene-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(3,5-Di-tert-butyl-4-hydroxybenzyl)-1h-indene-1,3(2h)-dione","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)C3=CC=CC=C3C2=O","UANSDJOURCHRJR-UHFFFAOYSA-N","403663",NA,"PDBC17047","718731","Present"
-"2-[(3,5-Ditert-butyl-4-methoxyphenyl)methyl]cyclopent-4-ene-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(3,5-Di-tert-butyl-4-methoxybenzyl)cyclopent-4-ene-1,3-dione","","CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CC2C(=O)C=CC2=O","UGAMDWXUVRANHN-UHFFFAOYSA-N","403662",NA,"PDBC17048","718730","Present"
-"2-[(3,7-Diaminoquinoxali ne","","","","","","","","","","","","","","","","","","","","2-[(3,4-dimethoxy)benzylamino]-3-phenyl-5,7-diaminoquino...","","COC1=C(C=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","KVKUTCBECKBIPV-UHFFFAOYSA-N","406625",NA,"PDBC17049","724865","Present"
-"2-[(3-Benzoyl-2-sulfanylideneimidazolidin-1-yl)methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[(3-Benzoyl-2-sulfanylideneimidazolidin-1-yl)methylidene]propanedinitrile","","C1CN(C(=S)N1C=C(C#N)C#N)C(=O)C2=CC=CC=C2","XGOZXIBAXJYORL-UHFFFAOYSA-N","24203785",NA,"PDBC17050","729517","Present"
-"2-[(3-Bromo-9-oxofluoren-2-yl)carbamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-(3-bromo-9-oxo-9H-fluoren-2-ylcarbamoyl) benzoic acid","","C1=CC=C2C(=C1)C3=CC(=C(C=C3C2=O)NC(=O)C4=CC=CC=C4C(=O)O)Br","PCTWMIAAJZTNHU-UHFFFAOYSA-N","245114",NA,"PDBC17051","56681","Present"
-"2-[(3-Chloro-4-fluoroanilino)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","2-[(3-Chloro-4-fluoroanilino)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1,2,4-triazole-3-thione","","CC1=NN(C(=S)N1N=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)CNC4=CC(=C(C=C4)F)Cl","LRVMMGGOHGFILZ-YPXUMCKCSA-N","9572360",NA,"PDBC17052","713290","Present"
-"2-[(3-Chloro-4-fluoroanilino)methyl]-5-[(2-chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","2-[(3-Chloro-4-fluoroanilino)methyl]-5-[(2-chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione","","C1=CC=C(C(=C1)OCC2=NN(C(=S)N2N=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)CNC5=CC(=C(C=C5)F)Cl)Cl","RGKLCPVSHVWOHW-RPUDKEGQSA-N","9572362",NA,"PDBC17053","713292","Present"
-"2-[(3-Chlorophenyl)amino]-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}nicotinamide","","","","","","","","","","","","","","","","","","","","2-[(3-Chlorophenyl)amino]-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}nicotinamide","","C1=CC(=CC(=C1)Cl)NC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4","VTRIFQNGOSSROZ-UHFFFAOYSA-N","359493",NA,"PDBC17054","620471","Present"
-"2-[(3-Cyano-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinolin-2-yl)disulfanyl]-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinolin-2-yl)disulfanyl]-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile","","CC1(CC2=C(C(C(=C(N2)SSC3=C(C(C4=C(N3)CC(CC4=O)(C)C)C5=CC=CC=C5)C#N)C#N)C6=CC=CC=C6)C(=O)C1)C","ITPHRFCCQSMNNU-UHFFFAOYSA-N","380526",NA,"PDBC17055","666139","Present"
-"2-[(3-Cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)disulfanyl]-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)disulfanyl]-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile","","CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SSC3=NC4=C(C(=O)CC(C4)(C)C)C(=C3C#N)C5=CC=CC=C5)C#N)C6=CC=CC=C6)C","QBOZNGPQYPLNLB-UHFFFAOYSA-N","378726",NA,"PDBC17056","661828","Present"
-"2-[(3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]-N'-[(2Z)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetohydrazide","","","","","","","","","","","","","","","","","","","","2-(3-Ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(Z)-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide","","CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=C3N(C(=O)CS3)C4=CC=C(C=C4)C","OMGWUXFTIKGWRY-LVWGJNHUSA-N","9572030",NA,"PDBC17057","691528","Present"
-"2-[(3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]-N'-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetohydrazide","","","","","","","","","","","","","","","","","","","","2-(3-Ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]acetamide","","CCN1C(=O)CSC1=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC","LDGDQPROPJYGPC-JZJYNLBNSA-N","9572028",NA,"PDBC17058","691526","Present"
-"2-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid","","CCC1=NNC(=O)N1NC(=O)C2=CC=CC=C2C(=O)O","LHESCLQDNZTGBT-UHFFFAOYSA-N","390143",NA,"PDBC17059","687211","Present"
-"2-[(3-Fluorophenyl)carbamothioylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","2-[N-(3-Fluorophenyldithiocarbamoyl)]-propanoic acid","","CC(C(=O)O)SC(=S)NC1=CC(=CC=C1)F","YZVPUJSZOQRGAV-UHFFFAOYSA-N","3004115",NA,"PDBC17060","629298","Present"
-"2-[(3-Formylindol-1-yl)methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[(3-Formylindol-1-yl)methoxy]ethyl acetate","","CC(=O)OCCOCN1C=C(C2=CC=CC=C21)C=O","SDZRCHRYIAOYSO-UHFFFAOYSA-N","400151",NA,"PDBC17061","711646","Present"
-"2-[(3-Hydroxypiperidin-1-yl)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-[(3-Hydroxypiperidin-1-yl)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one","","CC1=CN2C(=NC(=CC2=O)CN3CCCC(C3)O)C=C1","UKWHHNKISXDEJY-UHFFFAOYSA-N","390352",NA,"PDBC17062","687688","Present"
-"2-[(3-Methoxyphenyl)methyl]-7-methyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-[(3-Methoxyphenyl)methyl]-7-methyl-1H-1,8-naphthyridin-4-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)CC3=CC(=CC=C3)OC","MLIRWYVKLYZVEM-UHFFFAOYSA-N","397847",NA,"PDBC17063","706460","Present"
-"2-[(3-Methoxyphenyl)methylsulfanyl]acetic acid","","","","","","","","","","","","","","","","","","","","AO-801/41077507","","COC1=CC=CC(=C1)CSCC(=O)O","QMFCNAYBAHKUKR-UHFFFAOYSA-N","323071",NA,"PDBC17064","281803","Present"
-"2-[(3-Nitro-2-pyridyl)thio]acetic acid","","","","","","","","","","","","","","","","","","","","Maybridge1_004963","","C1=CC(=C(N=C1)SCC(=O)O)[N+](=O)[O-]","WBPUHBNGHSAAGT-UHFFFAOYSA-N","265630",NA,"PDBC17065","101844","Present"
-"2-[(3-Phenoxyphenyl)methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","",".meta.-Phenoxybenzylidene-malononitrile","","C1=CC=C(C=C1)OC2=CC=CC(=C2)C=C(C#N)C#N","ZCCNLVKFRGRFFQ-UHFFFAOYSA-N","370257",NA,"PDBC17066","643031","Present"
-"2-[(3-Trifluoromethyl-2-pyridinyl)thio]benzothiazole","","","","","","","","","","","","","","","","","","","","2-[(3-Trifluoromethyl-2-pyridinyl)thio]benzothiazole","","C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC=N3)C(F)(F)F","ZHZQQNCMAAAFDU-UHFFFAOYSA-N","391103",NA,"PDBC17067","689721","Present"
-"2-[(3As,4R,6S,6aR)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N-[12-[[2-[(3aR,4S,6R,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanethioyl]amino]dodecyl]ethanethioamide","","","","","","","","","","","","","","","","","","","","2-[(3As,4R,6S,6aR)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N-[12-[[2-[(3aR,4S,6R,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a","","CC1(OCC(O1)C2C3C(C(O2)CC(=S)NCCCCCCCCCCCCNC(=S)CC4C5C(C(O4)C6COC(O6)(C)C)OC(O5)(C)C)OC(O3)(C)C)C","RCXMHQFWYZEXDP-UCZRPRODSA-N","5471742",NA,"PDBC17068","713557","Present"
-"2-[(3E)-3-(3-Phenylpropoxyimino)butyl]-1H-pyridazine-3,6-dione","","","","","","","","","","","","","","","","","","","","2-[(3E)-3-(3-Phenylpropoxyimino)butyl]-1H-pyridazine-3,6-dione","","CC(=NOCCCC1=CC=CC=C1)CCN2C(=O)C=CC(=O)N2","IIFDMSGXBAMJGH-XMHGGMMESA-N","5937480",NA,"PDBC17069","633921","Present"
-"2-[(3E)-3-[(2,4-Dinitrophenyl)hydrazono]butyl]-1H-pyridazine-3,6-dione","","","","","","","","","","","","","","","","","","","","2-[(3E)-3-[(2,4-Dinitrophenyl)hydrazono]butyl]-1H-pyridazine-3,6-dione","","CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCN2C(=O)C=CC(=O)N2","BIPFPNMXWSKNLN-OQLLNIDSSA-N","9570027",NA,"PDBC17070","633923","Present"
-"2-[(3S)-5-Hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","NSC648362///NSC648363","","CC(C)(C)OC(=O)NC1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)O","SKZGYTUEMKZBPM-AMGKYWFPSA-N","372748",NA,"PDBC17071","648362///648363","Present"
-"2-[(3Z,9Z)-12-(2-Aminophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(3Z,9Z)-12-(2-Aminophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC#CC=CC#CC2=CC=CC=C2N)N","FAKSDBCCQYESPK-SFECMWDFSA-N","24205315",NA,"PDBC17072","735004","Present"
-"2-[(3Z,9Z)-12-(2-Cyanophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]benzonitrile","","","","","","","","","","","","","","","","","","","","2-[(3Z,9Z)-12-(2-Cyanophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]benzonitrile","","C1=CC=C(C(=C1)C#CC=CC#CC#CC=CC#CC2=CC=CC=C2C#N)C#N","CEFMGRGJIKKDLF-SFECMWDFSA-N","24202651",NA,"PDBC17073","725625","Present"
-"2-[(4,5-Dibromo-2-methyl-imidazol-1-yl)methyl]-6-methoxy-tetrahydropyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[(4,5-Dibromo-2-methyl-imidazol-1-yl)methyl]-6-methoxy-tetrahydropyran-3,4,5-triol","","CC1=NC(=C(N1CC2C(C(C(C(O2)OC)O)O)O)Br)Br","UYDAUFQWXCMYGP-UHFFFAOYSA-N","394935",NA,"PDBC17074","699035","Present"
-"2-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3-(2-thienyl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3-(2-thienyl)propanoic acid","","COC1=C(C=C(C(=C1)COC(=O)NC(CC2=CC=CS2)C(=O)O)[N+](=O)[O-])OC","SXTNDAGZLZBIMS-UHFFFAOYSA-N","375627",NA,"PDBC17075","655449","Present"
-"2-[(4,5-Dimethyl-1,3-thiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-[(4,5-Dimethyl-1,3-thiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole","","CC1=C(SC(=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C","YRFSZCNINKEDKL-UHFFFAOYSA-N","351151",NA,"PDBC17076","519153","Present"
-"2-[(4,6-Dioxo-2-thioxo-hexahydropyrimidin-1-yl)methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[(4,6-Dioxo-2-thioxo-hexahydropyrimidin-1-yl)methylene]propanediamide","","C1C(=O)NC(=S)N(C1=O)C=C(C(=O)N)C(=O)N","JWQBZKADKHYCKH-UHFFFAOYSA-N","3004535",NA,"PDBC17077","658308","Present"
-"2-[(4-Amino-6-morpholin-4-yl-1,5-triazin-2-yl)-2-{[4-dimet hylamino)phenyl]imino}-acetonitrile","","","","","","","","","","","","","","","","","","","","2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-2-{[4-d...","","CN(C)C1=CC=C(C=C1)N=C(C#N)C2=NC(=NC(=N2)N3CCOCC3)N","TYAYPNFNVBUDGM-UHFFFAOYSA-N","11681864",NA,"PDBC17078","729112","Present"
-"2-[(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol","","","","","","","","","","","","","","","","","","","","2-[(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol","","C1=CN(C2=NC=NC(=C21)N)COC(CO)CO","DXQULPQYDXUEBM-UHFFFAOYSA-N","395243",NA,"PDBC17079","699719","Present"
-"2-[(4-Bromophenyl)diazenyl]propan-2-yl acetate","","","","","","","","","","","","","","","","","","","","2-[(4-Bromophenyl)diazenyl]propan-2-yl acetate","","CC(=O)OC(C)(C)N=NC1=CC=C(C=C1)Br","DZWBCPXUHPHPJR-UHFFFAOYSA-N","243545",NA,"PDBC17080","53454","Present"
-"2-[(4-Carboxyphenyl)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(4-Carboxyphenyl)methyl]benzoic acid","","C1=CC=C(C(=C1)CC2=CC=C(C=C2)C(=O)O)C(=O)O","SXJJRDVGHKSPCS-UHFFFAOYSA-N","235577",NA,"PDBC17081","37133","Present"
-"2-[(4-Chlorobenzoyl)amino]-3-(4-iodophenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-[(4-Chlorobenzoyl)amino]-3-(4-iodophenyl)propanoic acid","","C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)Cl)I","ZXOATKGVRNNONJ-UHFFFAOYSA-N","336956",NA,"PDBC17082","353285","Present"
-"2-[(4-Chlorobenzyl)sulfanyl]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","Maybridge4_002205","","C1=CC(=CC=C1CSC2=NC=CC(=O)N2)Cl","RVTXPYQZDUOGRG-UHFFFAOYSA-N","241183",NA,"PDBC17083","48405","Present"
-"2-[(4-Chlorophenoxy)methyl]-5-[8-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-[(4-chlorophenoxy)methyl]-5-[8-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole","","C1=CC(=CC=C1OCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)COC4=CC=C(C=C4)Cl)Cl","NTIBDBJUJUEXAM-UHFFFAOYSA-N","394037",NA,"PDBC17084","697155","Present"
-"2-[(4-Chlorophenyl)azo]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one","","","","","","","","","","","","","","","","","","","","2-[(4-Chlorophenyl)azo]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one","","C1=CC=C2C(=C1)NC3=C(C(=C(C(=O)N23)N=NC4=CC=C(C=C4)Cl)O)C#N","QPGDHGWQNUYTRD-UHFFFAOYSA-N","135409144",NA,"PDBC17085","659489","Present"
-"2-[(4-Chlorophenyl)iminomethyl]-4-[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]sulfonylphenol","","","","","","","","","","","","","","","","","","","","2-[(4-Chlorophenyl)iminomethyl]-4-[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]sulfonylphenol","","C1=CC(=CC=C1N=CC2=C(C=CC(=C2)S(=O)(=O)C3=CC(=C(C=C3)O)C=NC4=CC=C(C=C4)Cl)O)Cl","DSCJMECELJCOKD-UHFFFAOYSA-N","359096",NA,"PDBC17086","619672","Present"
-"2-[(4-Chlorophenyl)methyl]-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","2-(4-Chlorobenzyl)-1,3-benzoxazole","","C1=CC=C2C(=C1)N=C(O2)CC3=CC=C(C=C3)Cl","VMQKODHMSRWEMH-UHFFFAOYSA-N","401566",NA,"PDBC17087","715261","Present"
-"2-[(4-Chlorophenyl)methylamino]-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","2-(4-chlorobenzylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3...","","C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C=C(N=N3)CNC(=O)C4=C(N=CC=C4)NCC5=CC=C(C=C5)Cl","HCPRFPUYUYZSIA-UHFFFAOYSA-N","90681062",NA,"PDBC17088","761813","Present"
-"2-[(4-Chlorophenyl)methylsulfanyl]-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole","","","","","","","","","","","","","","","","","","","","2-[(4-Chlorophenyl)methylsulfanyl]-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole","","COC1=C(C=C(C=C1)N2C=C(N=C2SCC3=CC=C(C=C3)Cl)C4=CC(=C(C(=C4)OC)OC)OC)OC","INXWBWIIVZTPIA-UHFFFAOYSA-N","45027968",NA,"PDBC17089","740359","Present"
-"2-[(4-Dimethoxyphosphorylanilino)methyl]benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","Phenylphosphonic acid, 4-[[(2,5-dihydroxyphenyl)methyl]a...","","COP(=O)(C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O)OC","WBIBAACEZLKVDU-UHFFFAOYSA-N","390796",NA,"PDBC17090","688792","Present"
-"2-[(4-Ethylbenzyl)amino]-1-phenylethanol","","","","","","","","","","","","","","","","","","","","NSC766808","","CCC1=CC=C(C=C1)CNCC(C2=CC=CC=C2)O","RVPGAQKKCJHKJX-UHFFFAOYSA-N","4720996",NA,"PDBC17091","766808","Present"
-"2-[(4-Fluoro-alpha-oxophenethyl)amino]-3-chloro-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-[(4-Fluoro-alpha-oxophenethyl)amino]-3-chloro-1,4-naphthoquinone","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)CC3=CC=C(C=C3)F","UVROQTTYJPEGDK-UHFFFAOYSA-N","371175",NA,"PDBC17092","645207","Present"
-"2-[(4-Fluorobenzoyl)amino]-3-chloro-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-[(4-Fluorobenzoyl)amino]-3-chloro-1,4-naphthoquinone","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C3=CC=C(C=C3)F","QGZPWPPPKVFWGG-UHFFFAOYSA-N","377404",NA,"PDBC17093","658847","Present"
-"2-[(4-Fluorobenzoyl)amino]-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide","","","","","","","","","","","","","","","","","","","","(E)-2-(4-fluorobenzamido)-N'-(phenyl(pyridin-2-yl)methyl...","","C1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F)C4=CC=CC=N4","DKCNMCPRPOWECN-BGABXYSRSA-N","155813437",NA,"PDBC17094","797756","Present"
-"2-[(4-Fluorophenyl)diazenyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-[(4-Fluorophenyl)diazenyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C(C=C1)C2=C(C(=O)N3C4=CC=CC=C4NC3=C2C#N)N=NC5=CC=C(C=C5)F","LISSANPHEMECBU-UHFFFAOYSA-N","395420",NA,"PDBC17095","699956","Present"
-"2-[(4-Fluorophenyl)diazenyl]-7,8-dimethyl-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-[(4-Fluorophenyl)diazenyl]-7,8-dimethyl-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=O)N=NC4=CC=C(C=C4)F)C5=CC=CC=C5)C#N)N2","LIZUEMPYVGXLRF-UHFFFAOYSA-N","395421",NA,"PDBC17096","699957","Present"
-"2-[(4-Fluorophenyl)methyl]-1H-benzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-(4-Fluorobenzyl)-1H-naphtho[2,3-d]imidazole-4,9-dione","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C(N3)CC4=CC=C(C=C4)F","FQXADOYPUPPQGT-UHFFFAOYSA-N","371177",NA,"PDBC17097","645209","Present"
-"2-[(4-Hydroxyanilino)methyl]benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-{[(4-Hydroxyphenyl)amino]methyl}benzene-1,4-diol","","C1=CC(=CC=C1NCC2=C(C=CC(=C2)O)O)O","AODCQEOEMRWMAS-UHFFFAOYSA-N","402810",NA,"PDBC17098","717061","Present"
-"2-[(4-Hydroxyphenyl)methyl]-3-methyl-5-(2-phenylethyl)pyrrolidine-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","2-(4-Hydroxybenzyl)-3-methyl-5-(2-phenylethyl)pyrrolidine-3-carbaldehyde","","CC1(CC(NC1CC2=CC=C(C=C2)O)CCC3=CC=CC=C3)C=O","ICUUMLDIHQLJNO-UHFFFAOYSA-N","401722",NA,"PDBC17099","715452","Present"
-"2-[(4-Hydroxyphenyl)sulfanylmethyl]benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-[(4-Hydroxyphenyl)sulfanylmethyl]benzene-1,4-diol","","C1=CC(=CC=C1O)SCC2=C(C=CC(=C2)O)O","SPKMMWKRZJWHSL-UHFFFAOYSA-N","384134",NA,"PDBC17100","673421","Present"
-"2-[(4-Iodobenzoyl)amino]-3-(4-iodophenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-[(4-Iodobenzoyl)amino]-3-(4-iodophenyl)propanoic acid","","C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)I)I","JWYVRTYEULJQBP-UHFFFAOYSA-N","336952",NA,"PDBC17101","353281","Present"
-"2-[(4-Isothiocyanatophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC671433","","C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)N=C=S.Br","DWXYLGCUAJRFMR-UHFFFAOYSA-N","383323",NA,"PDBC17102","671433","Present"
-"2-[(4-Methoxynaphthalen-1-yl)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(4-Methoxynaphthalen-1-yl)methyl]benzoic acid","","COC1=CC=C(C2=CC=CC=C21)CC3=CC=CC=C3C(=O)O","DZLDQAMPFVLWLG-UHFFFAOYSA-N","242043",NA,"PDBC17103","50155","Present"
-"2-[(4-Methoxyphenyl)sulfonyl-methylamino]acetic acid","","","","","","","","","","","","","","","","","","","","CBKinase1_003874","","CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC","AVGHWDMNPUHFBQ-UHFFFAOYSA-N","362743",NA,"PDBC17104","626998","Present"
-"2-[(4-Methylbenzoyl)amino]-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide","","","","","","","","","","","","","","","","","","","","(E)-2-(4-methylbenzamido)-N'-(phenyl(pyridin-2-yl)methyl...","","CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN=C(C3=CC=CC=C3)C4=CC=CC=N4","AWXONZHVLFYIMW-QCWLDUFUSA-N","155811911",NA,"PDBC17105","797755","Present"
-"2-[(4-Methylphenyl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[(4-METHYLPHENYL)AMINO]ETHANOL","","CC1=CC=C(C=C1)NCCO","YVJVQYNIANZFFM-UHFFFAOYSA-N","220008",NA,"PDBC17106","2154","Present"
-"2-[(4-Methylphenyl)sulfinyl]-3-furancarboxaldehyde","","","","","","","","","","","","","","","","","","","","2-[(4-methylphenyl)sulfinyl]-3-furancarboxaldehyde","","CC1=CC=C(C=C1)S(=O)C2=C(C=CO2)C=O","ZKNFYRJMNKLJCF-INIZCTEOSA-N","9571962",NA,"PDBC17107","679180","Present"
-"2-[(4-Methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-[(4-Methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CC=CC=C2)C(=O)O","NMNHYVSVZWXEOG-UHFFFAOYSA-N","396495",NA,"PDBC17108","702679","Present"
-"2-[(4-Methylphenyl)sulfonylcarbamoylamino]acetamide","","","","","","","","","","","","","","","","","","","","2-(p-Tolylsulfonylcarbamoylamino)acetamide","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC(=O)N","ZDCCLWNPLFFZSE-UHFFFAOYSA-N","396485",NA,"PDBC17109","702669","Present"
-"2-[(4-Methylphenyl)sulfonylcarbamoylamino]acetic acid","","","","","","","","","","","","","","","","","","","","Glycine, N-[[[(4-methylphenyl)sulfonyl]amino]carbonyl]-","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC(=O)O","VBSMIOGEIRZNQH-UHFFFAOYSA-N","396484",NA,"PDBC17110","702668","Present"
-"2-[(4-Methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-((4-(Methylthio)anilino)carbonyl)cyclohexanecarboxylic acid","","CSC1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O","WBWJXFJNJSYIPP-UHFFFAOYSA-N","306755",NA,"PDBC17111","204442","Present"
-"2-[(4-Nitrophenoxy)methyl]-5-[8-[5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-[(4-nitrophenoxy)methyl]-5-[8-[5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole","","C1=CC(=CC=C1[N+](=O)[O-])OCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)COC4=CC=C(C=C4)[N+](=O)[O-]","FVDZEYSFVSMQKD-UHFFFAOYSA-N","394038",NA,"PDBC17112","697156","Present"
-"2-[(4-Nitrophenyl)methyl]-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-(4-Nitrobenzyl)-1,3-benzothiazole","","C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-]","DATVPJQBGJABAN-UHFFFAOYSA-N","365133",NA,"PDBC17113","632234","Present"
-"2-[(4-Nitrophenyl)sulfonylamino]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(4-Nitrophenyl)sulfonylamino]benzoic acid","","C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","MWXPPZARWSMLCS-UHFFFAOYSA-N","362691",NA,"PDBC17114","626930","Present"
-"2-[(4-Nitrophenyl)sulfonylamino]propanoic acid","","","","","","","","","","","","","","","","","","","","CBMicro_009033","","CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]","HYJCTEWPGQGLRQ-UHFFFAOYSA-N","362750",NA,"PDBC17115","627006","Present"
-"2-[(4-Oxo-2-phenyl-thiazolidin-3-yl)amino]-1H-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","2-[(4-Oxo-2-phenyl-thiazolidin-3-yl)amino]-1H-pyrimidine-4,6-dione","","C1C(=O)NC(=NN2C(SCC2=O)C3=CC=CC=C3)NC1=O","BRFYTHSKZGPAPK-UHFFFAOYSA-N","135444914",NA,"PDBC17116","687809","Present"
-"2-[(4-Phenylphenyl)methylidene]propanedioic acid","","","","","","","","","","","","","","","","","","","","malonic acid, p-phenylbenzylidene- (6ci)","","C1=CC=C(C=C1)C2=CC=C(C=C2)C=C(C(=O)O)C(=O)O","VUKIGYZXHRSZFY-UHFFFAOYSA-N","223918",NA,"PDBC17117","638156","Present"
-"2-[(4E)-1,5-Dimethyl-4-[(4-nitrophenyl)hydrazinylidene]-7-oxo-8-tricyclo[4.4.0.02,8]decanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","2-[(4E)-1,5-Dimethyl-4-[(4-nitrophenyl)hydrazinylidene]-7-oxo-8-tricyclo[4.4.0.02,8]decanyl]propanoic acid","","CC1C2C(=O)C3(CCC2(C3CC1=NNC4=CC=C(C=C4)[N+](=O)[O-])C)C(C)C(=O)O","AWVZNWWDGGUAQE-HZHRSRAPSA-N","6377377",NA,"PDBC17118","294530","Present"
-"2-[(4E)-4-(4-Dimethylaminophenyl)imino-1-naphthylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","1,3-Propanedinitrile, 2-[[4-[4-(dimethylamino)phenyl]imi...","","CN(C)C1=CC=C(C=C1)N=C2C=CC(=C(C#N)C#N)C3=CC=CC=C23","VAJFTXOQBPMGCF-UHFFFAOYSA-N","363173",NA,"PDBC17119","627777","Present"
-"2-[(4E)-4-(4-Ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid","","","","","","","","","","","","","","","","","","","","2-[(4E)-4-(4-Ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid","","CCOC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SCC(=O)O","MCEZDZGCNWEVPO-HEHNFIMWSA-N","6022733",NA,"PDBC17120","743411","Present"
-"2-[(4R,5R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[(4R,5R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione","","CC1=CC=C(C=C1)C(=O)C(C2C(OC(O2)(C)C)C3COC(O3)(C)C)C(=O)C","BZFZGHUYWOTJBG-QAKAPOOCSA-N","400534",NA,"PDBC17121","712579","Present"
-"2-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione","","CC1=CC=C(C=C1)C(=O)C(C2C(OC(O2)(C)C)C3COC(O3)(C)C)C(=O)C","BZFZGHUYWOTJBG-VBZNHOPUSA-N","399504",NA,"PDBC17122","710365","Present"
-"2-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","2-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid","","CC(C(=O)O)SC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","NKCCLIOPANGWKR-UHFFFAOYSA-N","360627",NA,"PDBC17123","622932","Present"
-"2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NN=C(S3)N","WPHGUISTWNATNM-UHFFFAOYSA-N","385801",NA,"PDBC17124","677195","Present"
-"2-[(5-Anilino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-3-ethyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","Quinazolin-4(3H)-one, 3-ethyl- 2-[[[5-(phenylamino)-1,3,...","","CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NN=C(S3)NC4=CC=CC=C4","PBLQCZANCHMAIS-UHFFFAOYSA-N","389773",NA,"PDBC17125","686368","Present"
-"2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide","","C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","OIBOZTRCFIAHSR-UHFFFAOYSA-N","375282",NA,"PDBC17126","654799","Present"
-"2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide","","C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","DPSMRFXKYRGJOS-UHFFFAOYSA-N","375281",NA,"PDBC17127","654798","Present"
-"2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(3,4-dichlorophenyl)-3-hydroxyguanidine","","","","","","","","","","","","","","","","","","","","2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(3,4-dichlorophenyl)-3-hydroxyguanidine","","CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N=C(NC3=CC(=C(C=C3)Cl)Cl)NO","GMJJANLELLMTEW-UHFFFAOYSA-N","9572204",NA,"PDBC17128","707047","Present"
-"2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(4-chlorophenyl)-3-hydroxyguanidine","","","","","","","","","","","","","","","","","","","","2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(4-chlorophenyl)-3-hydroxyguanidine","","CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","WTFNAXCOXIJAQD-UHFFFAOYSA-N","9572190",NA,"PDBC17129","707033","Present"
-"2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(4-chlorophenyl)guanidine","","CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N=C(N)NC3=CC=C(C=C3)Cl","ZPDPOBPCPJFDQU-UHFFFAOYSA-N","9572211",NA,"PDBC17130","707402","Present"
-"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid","","C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CC3=CN=CN3)C(=O)O","KGVOTSLLDTXORB-UHFFFAOYSA-N","375073",NA,"PDBC17131","653957","Present"
-"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-(1H-indol-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-(1H-indol-3-yl)propanoic acid","","C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CC3=CNC4=CC=CC=C43)C(=O)O","OBUOAPDTYNCKRU-UHFFFAOYSA-N","375074",NA,"PDBC17132","653958","Present"
-"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-phenylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-phenylpropanoic acid","","C1=CC=C(C=C1)CC(C(=O)O)N=CC2=C(OC(=N2)C3=CC=CC=C3)O","SWWOKGQOMHQXGW-UHFFFAOYSA-N","369486",NA,"PDBC17133","641256","Present"
-"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-sulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-sulfanylpropanoic acid","","C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CS)C(=O)O","LCMJKBVALQNLIY-UHFFFAOYSA-N","375072",NA,"PDBC17134","653956","Present"
-"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-4-methylpentanoic acid","","","","","","","","","","","","","","","","","","","","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-4-methylpentanoic acid","","CC(C)CC(C(=O)O)N=CC1=C(OC(=N1)C2=CC=CC=C2)O","BUSXUJCRIRLOOM-UHFFFAOYSA-N","369485",NA,"PDBC17135","641255","Present"
-"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]pentanedioic acid","","C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CCC(=O)O)C(=O)O","BFSYORLFKKFRDT-UHFFFAOYSA-N","369487",NA,"PDBC17136","641257","Present"
-"2-[(5-Methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[(5-Methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile","","COC1=CC2=C(C=C1)NC(=C2C=C(C#N)C#N)C3=CC=CC=C3","SKVACZJXRXRELQ-UHFFFAOYSA-N","23861723",NA,"PDBC17137","749027","Present"
-"2-[(5-Methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl]isoindoline-1,3-dione hydroiodide","","","","","","","","","","","","","","","","","","","","1-[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-5-methyloctahydro-2h-quinolizinium iodide","","C[N+]12CCCCC1C(CCC2)CN3C(=O)C4=CC=CC=C4C3=O.[I-]","WRONDZPMXOPNAS-UHFFFAOYSA-M","390677",NA,"PDBC17138","688314","Present"
-"2-[(5-Methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[(5-Methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide","","CC1=CC2=C(C=C1)N(C(=S)N2)C=C(C(=O)N)C(=O)N","BSQQIZZBCZIJPP-UHFFFAOYSA-N","3004537",NA,"PDBC17139","658310","Present"
-"2-[(5-Methylfuran-2-yl)methylidene]propanedioic acid","","","","","","","","","","","","","","","","","","","","2-[(5-Methylfuran-2-yl)methylidene]propanedioic acid","","CC1=CC=C(O1)C=C(C(=O)O)C(=O)O","STUYIPPGFOEHIL-UHFFFAOYSA-N","381100",NA,"PDBC17140","667263","Present"
-"2-[(5-Nitro-1-benzothiophen-2-yl)methylideneamino]aniline","","","","","","","","","","","","","","","","","","","","2-[(5-Nitro-1-benzothiophen-2-yl)methylideneamino]aniline","","C1=CC=C(C(=C1)N)N=CC2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]","MIIOGXZUURBYMT-UHFFFAOYSA-N","400284",NA,"PDBC17141","711818","Present"
-"2-[(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid","","C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","ZRVCCBYKHVNUIP-UHFFFAOYSA-N","394905",NA,"PDBC17142","698997","Present"
-"2-[(6-Bromo-1,3-benzodioxol-5-yl)methoxy]acetaldehyde","","","","","","","","","","","","","","","","","","","","2-[(6-Bromo-1,3-benzodioxol-5-yl)methoxy]acetaldehyde","","C1OC2=C(O1)C=C(C(=C2)COCC=O)Br","KMFMHSWGWRUJRC-UHFFFAOYSA-N","395288",NA,"PDBC17143","699768","Present"
-"2-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=C(N=C3N2CCS3)Cl","DOWGWHIAYKRQJI-UHFFFAOYSA-N","403956",NA,"PDBC17144","719722","Present"
-"2-[(6-Chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","CC1=CN2C(=C(N=C2S1)Cl)CC3=C(C(=O)C(=C(C3=O)OC)OC)C","NRQJFDJDYDOQJM-UHFFFAOYSA-N","403957",NA,"PDBC17145","719723","Present"
-"2-[(6-Chloro-9-oxo-xanthen-4-yl)methylsulfanyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(6-Chloro-9-oxo-xanthen-4-yl)methylsulfanyl]benzoic acid","","C1=CC=C(C(=C1)C(=O)O)SCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl","OOBWNFRYKOCLJW-UHFFFAOYSA-N","391391",NA,"PDBC17146","690564","Present"
-"2-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=C(N=C3N2C=CS3)Cl","BNYAKXWSOIKGCG-UHFFFAOYSA-N","403955",NA,"PDBC17147","719721","Present"
-"2-[(6-Methoxy-2-methylquinolin-4-yl)amino]phenol","","","","","","","","","","","","","","","","","","","","NSC766603","","CC1=CC(=C2C=C(C=CC2=N1)OC)NC3=CC=CC=C3O","XQBRDVAYQUCUCM-UHFFFAOYSA-N","686636",NA,"PDBC17148","766603","Present"
-"2-[(6-Nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[(6-Nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide","","C1=CC2=C(C=C1[N+](=O)[O-])N(C(=S)N2)C=C(C(=O)N)C(=O)N","JBDFXSDBDFXTCY-UHFFFAOYSA-N","3003242",NA,"PDBC17149","658329","Present"
-"2-[(6-Nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[(6-Nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanedinitrile","","C1=CC2=C(C=C1[N+](=O)[O-])N(C(=S)N2)C=C(C#N)C#N","JPWDNYLLZCMZIM-UHFFFAOYSA-N","3004561",NA,"PDBC17150","658342","Present"
-"2-[(7-Bromo-9H-fluoren-2-yl)amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[(7-Bromo-9H-fluoren-2-yl)amino]acetic acid","","C1C2=C(C=CC(=C2)NCC(=O)O)C3=C1C=C(C=C3)Br","NSVIUUBAVHWSQW-UHFFFAOYSA-N","282648",NA,"PDBC17151","136325","Present"
-"2-[(7-Chloroquinolin-4-yl)amino]-5-(diethylamino)pentan-1-ol","","","","","","","","","","","","","","","","","","","","NSC295632///NSC295634","","CCN(CC)CCCC(CO)NC1=C2C=CC(=CC2=NC=C1)Cl","FYKKJMZGHNIZKP-UHFFFAOYSA-N","325988",NA,"PDBC17152","295632///295634","Present"
-"2-[(7-Hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid","","","","","","","","","","","","","","","","","","","","2-[(7-Hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid","","CSCCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O","MCZOQAVTLSACNL-UHFFFAOYSA-N","5466059",NA,"PDBC17153","673337","Present"
-"2-[(7-Hydroxy-2-oxo-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid","","","","","","","","","","","","","","","","","","","","2-[(7-Hydroxy-2-oxo-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid","","CSCCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2)O","DECOECSJYTXEJZ-UHFFFAOYSA-N","5466063",NA,"PDBC17154","673341","Present"
-"2-[(7-Methoxy-1-nitroacridin-9-yl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[(7-Methoxy-1-nitroacridin-9-yl)amino]ethanol","","COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCO","QKERPOLKEQREML-UHFFFAOYSA-N","378849",NA,"PDBC17155","662189","Present"
-"2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)oxy-diphenyl-stannyl]oxycyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)oxy-diphenyl-stannyl]oxycyclohepta-2,4,6-trien-1-one","","","","",NA,"PDBC17156","644925","Present"
-"2-[(8-Hydroxyquinolin-2-yl)disulfanyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","2,2'-disulfanediyldiquinolin-8-ol","","C1=CC2=C(C(=C1)O)N=C(C=C2)SSC3=NC4=C(C=CC=C4O)C=C3","XHJJWLOYIZUQTP-UHFFFAOYSA-N","276707",NA,"PDBC17157","125034","Present"
-"2-[(8E)-Heptadec-8-en-1-yl]-1,1-bis(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium chloride","","","","","","","","","","","","","","","","","","","","2-[(8E)-Heptadec-8-en-1-yl]-1,1-bis(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium chloride","","CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(CCO)CCO.[Cl-]","PRICGBHGIPCUAF-RRABGKBLSA-M","15651732",NA,"PDBC17158","33584","Present"
-"2-[(8E,11E)-Heptadeca-8,11-dienyl]-5,5-dimethyl-3-propan-2-yl-4H-imidazole","","","","","","","","","","","","","","","","","","","","2-[(8E,11E)-Heptadeca-8,11-dienyl]-5,5-dimethyl-3-propan-2-yl-4H-imidazole","","CCCCCC=CCC=CCCCCCCCC1=NC(CN1C(C)C)(C)C","FJQBQHDALVQQQD-IWCZYTNJSA-N","5354707",NA,"PDBC17159","17747","Present"
-"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]-N,N-dimethylethanamine oxide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]-N,N-dimethylethanamine oxide;hydrochloride","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)[O-])N.Cl","NVDWLLFNNXJCST-UHFFFAOYSA-N","389050",NA,"PDBC17160","684667","Present"
-"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]azanium;chloride","","","","","","","","","","","","","","","","","","","","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]azanium;chloride","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=CC=C(N4C)[N+](=O)[O-])N.[Cl-]","DQBTVFMTCFXGDL-UHFFFAOYSA-N","391707",NA,"PDBC17161","691250","Present"
-"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(2-morpholin-4-yl-4-nitro-1,3-thiazol-5-yl)methyl]azanium;chloride","","","","","","","","","","","","","","","","","","","","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(2-morpholin-4-yl-4-nitro-1,3-thiazol-5-yl)methyl]azanium;chloride","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=C(N=C(S4)N5CCOCC5)[N+](=O)[O-])N.[Cl-]","MDHBMLKRWWUVFX-UHFFFAOYSA-N","391709",NA,"PDBC17162","691251","Present"
-"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;chloride","","","","","","","","","","","","","","","","","","","","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;chloride","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=C(N=CN4C)[N+](=O)[O-])N.[Cl-]","HWPNTOPPWPSEPA-UHFFFAOYSA-N","391711",NA,"PDBC17163","691252","Present"
-"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-nitrothiophen-2-yl)methyl]azanium;chloride","","","","","","","","","","","","","","","","","","","","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-nitrothiophen-2-yl)methyl]azanium;chloride","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=C(C=CS4)[N+](=O)[O-])N.[Cl-]","KKJUIDSKPAIKHA-UHFFFAOYSA-N","391705",NA,"PDBC17164","691249","Present"
-"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium;chloride","","","","","","","","","","","","","","","","","","","","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium;chloride","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=CC=C(C=C4)S(=O)(=O)C)N.[Cl-]","MYVATADSXHXAFV-UHFFFAOYSA-N","391966",NA,"PDBC17165","691656","Present"
-"2-[(9-Hydroxyxanthen-9-yl)methyl]-N-methylbenzamide","","","","","","","","","","","","","","","","","","","","2-[(9-Hydroxy-9H-xanthen-9-yl)methyl]-N-methylbenzamide","","CNC(=O)C1=CC=CC=C1CC2(C3=CC=CC=C3OC4=CC=CC=C42)O","FEXGHALZSMTPJX-UHFFFAOYSA-N","337884",NA,"PDBC17166","357788","Present"
-"2-[(9-Methylidene-2-tricyclo[4.3.0.03,8]nonanyl)oxycarbonyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(9-Methylidene-2-tricyclo[4.3.0.03,8]nonanyl)oxycarbonyl]benzoic acid","","C=C1C2CC3C1C(C2CC3)OC(=O)C4=CC=CC=C4C(=O)O","FVXIKFDJSKTCEW-UHFFFAOYSA-N","380727",NA,"PDBC17167","666434","Present"
-"2-[(9-Oxo-10H-acridin-2-yl)sulfanyl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[(9-Oxo-10H-acridin-2-yl)sulfanyl]acetic acid","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC(=C3)SCC(=O)O","WFJQKCGOMANRBI-UHFFFAOYSA-N","438621",NA,"PDBC17168","647539","Present"
-"2-[(9-Oxo-10H-acridine-4-carbonyl)amino]-3-sulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-[(9-Oxo10h-acridine-4-carbonyl)amino]-3-sulfanyl-propanoic acid","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC(CS)C(=O)O","COAVEVYXKMFUPQ-UHFFFAOYSA-N","392352",NA,"PDBC17169","692636","Present"
-"2-[(9-Oxo10h-acridine-4-carbonyl)amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[(9-Oxo10h-acridine-4-carbonyl)amino]acetic acid","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NCC(=O)O","ZAIUWDOPMPBUPY-UHFFFAOYSA-N","392348",NA,"PDBC17170","692632","Present"
-"2-[(Allylcarbamothioylamino)methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[(Allylcarbamothioylamino)methylene]propanediamide","","C=CCNC(=S)NC=C(C(=O)N)C(=O)N","ZXGQDDPUWHGNRY-UHFFFAOYSA-N","3004587",NA,"PDBC17171","658504","Present"
-"2-[(Alphaz)-5-Nitrofurfurylidene]benzofuran-3(2H)-one","","","","","","","","","","","","","","","","","","","","(Z)-2-(5-Nitrofuran-2-ylmethylene)-3(2H)-benzofuranone","","C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","OLSVXAMJDQNRMO-XFFZJAGNSA-N","10400204",NA,"PDBC17172","772281","Present"
-"2-[(Benzoyloxy)methyl]-5,3-b] carbazolium iodide","","","","","","","","","","","","","","","","","","","","2-[(Benzoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b] ca...","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)COC(=O)C5=CC=CC=C5.[I-]","PKBVDDHZUFSCLK-UHFFFAOYSA-N","365246",NA,"PDBC17173","632622","Present"
-"2-[(Carbamothioylamino)methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[(Carbamothioylamino)methylene]propanediamide","","C(=C(C(=O)N)C(=O)N)NC(=S)N","KWNZZDCTLPZOEL-UHFFFAOYSA-N","3004584",NA,"PDBC17174","658501","Present"
-"2-[(Carboxymethyl)thio]benzoic acid","","","","","","","","","","","","","","","","","","","","(o-carboxyphenylthio)acetic acid","","C1=CC=C(C(=C1)C(=O)O)SCC(=O)O","GMBZSYUPMWCDGK-UHFFFAOYSA-N","8660",NA,"PDBC17175","5347","Present"
-"2-[(Cyclohexylcarbonyl)amino]benzoic acid","","","","","","","","","","","","","","","","","","","","Cambridge id 7137130","","C1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)O","TVONCUQFOOJSCC-UHFFFAOYSA-N","362493",NA,"PDBC17176","626516","Present"
-"2-[(Dibenzylamino)methyl]cyclododecan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC657305","","C1CCCCCC(=O)C(CCCC1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3.Cl","DZPFFVYDRTVDPB-UHFFFAOYSA-N","376397",NA,"PDBC17177","657305","Present"
-"2-[(Dimethylamino)-1-ethyl]-5,3-dimethoxy-8,9-me thylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Formic Acid","","","","","","","","","","","","","","","","","","","","2-[(Dimethylamino)-1-ethyl]-5,6-dihydro-2,3-dimethoxy-8,...","","CN(C)CCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5.C(=O)O","KYHDBWFLNAWQFU-UHFFFAOYSA-N","44369013",NA,"PDBC17178","724994","Present"
-"2-[(Dimethylamino)acetylamino]-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(2-dimethylaminoacetyl)amino]thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)CN(C)C","QJXNAAUMQNNZPW-UHFFFAOYSA-N","396820",NA,"PDBC17179","703824","Present"
-"2-[(Dimethylamino)methyl]-1-(2-methoxyphenyl)prop-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2-methoxy p...","","CN(C)CC(=C)C(=O)C1=CC=CC=C1OC.Cl","FTCGRADUSQULNS-UHFFFAOYSA-N","13958692",NA,"PDBC17180","382003","Present"
-"2-[(Dimethylamino)methyl]-1-(2-methylphenyl)prop-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(Dimethylamino)methyl]-1-(2-methylphenyl)prop-2-en-1-one;hydrochloride","","CC1=CC=CC=C1C(=O)C(=C)CN(C)C.Cl","WXFRSORPGACNGW-UHFFFAOYSA-N","13958695",NA,"PDBC17181","382002","Present"
-"2-[(Dimethylamino)methyl]-1-(2-nitrophenyl)prop-2-en-1-one;chloride","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2-nitro phe...","","CN(C)CC(=C)C(=O)C1=CC=CC=C1[N+](=O)[O-].[Cl-]","KCZISRHHWPGYAE-UHFFFAOYSA-M","24184553",NA,"PDBC17182","34821","Present"
-"2-[(Dimethylamino)methyl]-1-(4-methoxyphenyl)prop-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(4-methoxy p...","","CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OC.Cl","JYMZUDJSDLSSBR-UHFFFAOYSA-N","353911",NA,"PDBC17183","603553","Present"
-"2-[(Dimethylamino)methyl]-1-(4-phenoxyphenyl)prop-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(4-phenoxy p...","","CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2.Cl","RBNWCVXOSHFRQY-UHFFFAOYSA-N","353915",NA,"PDBC17184","603555","Present"
-"2-[(Dimethylamino)methyl]-1-[4-[2-[(dimethylamino)methyl]prop-2-enoyl]phenyl]prop-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(Dimethylamino)methyl]-1-[4-[2-[(dimethylamino)methyl]prop-2-enoyl]phenyl]prop-2-en-1-one;hydrochloride","","CN(C)CC(=C)C(=O)C1=CC=C(C=C1)C(=O)C(=C)CN(C)C.Cl","SKSVAGPMJDYLAU-UHFFFAOYSA-N","54600797",NA,"PDBC17185","382008","Present"
-"2-[(Dimethylamino)methyl]-3-[(Z)-heptadec-10-enyl]-5-methoxybenzene-1,4-diol;hydrochloride","","","","","","","","","","","","","","","","","","","","1,4-Hydroquinone-2-methoxy-5-dimethylaminomethyl-6-(10-h...","","CCCCCCC=CCCCCCCCCCC1=C(C(=CC(=C1O)OC)O)CN(C)C.Cl","IMAKMGXLOYZUNP-GMFCBQQYSA-N","5387959",NA,"PDBC17186","630004","Present"
-"2-[(Dimethylamino)methyl]-3-[(Z)-heptadec-10-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","1,4-Benzoquinone-2-methoxy-5-dimethylaminomethyl- 6-(10-...","","CCCCCCC=CCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)CN(C)C.Cl","GUBDZQSALKKEII-GMFCBQQYSA-N","5387996",NA,"PDBC17187","630511","Present"
-"2-[(Dimethylamino)methyl]-4-(phenylazo)phenol","","","","","","","","","","","","","","","","","","","","2-[(Dimethylamino)methyl]-4-(phenylazo)phenol","","CN(C)CC1=C(C=CC(=C1)N=NC2=CC=CC=C2)O","JYRZXXWNMUDGMD-UHFFFAOYSA-N","384361",NA,"PDBC17188","674071","Present"
-"2-[(Dimethylamino)methyl]-5-propan-2-ylidenecyclopentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(Dimethylamino)methyl]-5-propan-2-ylidenecyclopentan-1-one;hydrochloride","","CC(=C1CCC(C1=O)CN(C)C)C.Cl","ULJWQYICSKPBMW-UHFFFAOYSA-N","368456",NA,"PDBC17189","639506","Present"
-"2-[(Dimethylamino)methyl]-7-(5-methoxy-3-methylidenepentyl)cycloheptan-1-one","","","","","","","","","","","","","","","","","","","","2-(Dimethylaminomethyl)-7-(5-methoxy-3-methylene-pentyl)cycloheptan-1-one","","CN(C)CC1CCCCC(C1=O)CCC(=C)CCOC","QADHJENBAFALDA-UHFFFAOYSA-N","393398",NA,"PDBC17190","695231","Present"
-"2-[(Dimethylamino)methyl]cyclododecan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC661449","","CN(C)CC1CCCCCCCCCCC1=O.Cl","UMEAJURBHMYAER-UHFFFAOYSA-N","378658",NA,"PDBC17191","661449","Present"
-"2-[(Dimethylamino)methyl]cyclododecanone","","","","","","","","","","","","","","","","","","","","2-[(Dimethylamino)methyl]cyclododecanone","","CN(C)CC1CCCCCCCCCCC1=O","SLKHXYLYZYHQIK-UHFFFAOYSA-N","378659",NA,"PDBC17192","670171","Present"
-"2-[(Dimethylamino)methyl]cyclopentan-1-one hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-, hydrochlorid...","","CN(C)CC1CCCC1=O.Cl","UYEYOIARTNJQBB-UHFFFAOYSA-N","360084",NA,"PDBC17193","621888","Present"
-"2-[(Dimethylcarbamothioyl)sulfanyl]acetamide","","","","","","","","","","","","","","","","","","","","(2-Amino-2-oxoethyl) N,N-dimethylcarbamodithioate","","CN(C)C(=S)SCC(=O)N","YVDBHZMPCSXUHG-UHFFFAOYSA-N","348488",NA,"PDBC17194","407820","Present"
-"2-[(E)-(1-Oxo-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(1-Oxo-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-2-ylidene)methyl]benzoic acid","","C1CCC2=C(C1)C=CC3=C2C(=O)C(=CC4=CC=CC=C4C(=O)O)C3","WDMAPQIACQSCRU-LFIBNONCSA-N","5468715",NA,"PDBC17195","674954","Present"
-"2-[(E)-(1-Oxoindan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(1-Oxoindan-2-ylidene)methyl]benzoic acid","","C1C2=CC=CC=C2C(=O)C1=CC3=CC=CC=C3C(=O)O","LXXLWOTXTJJGND-JLHYYAGUSA-N","6477501",NA,"PDBC17196","678374","Present"
-"2-[(E)-(2,3-Dimethyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(2,3-Dimethyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC=CC=N3)C.Cl","QZUYEYTUYPOAAL-CWSPIBBISA-N","24203144",NA,"PDBC17197","726883","Present"
-"2-[(E)-(2,3-Dimethyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(2,3-Dimethyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC=NC=C3)C.Cl","ZDQKYUWNICHVJG-CWSPIBBISA-N","24203638",NA,"PDBC17198","728912","Present"
-"2-[(E)-(2-Chloro-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Chloro-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","C1=CC=NC(=C1)C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N.Cl","ZEEYQTYICXYHES-YAKHFBBESA-N","24203971",NA,"PDBC17199","730290","Present"
-"2-[(E)-(2-Chloro-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Chloro-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","C1=CC(=CN=C1)C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N.Cl","DZLKGELKCKUSTI-YAKHFBBESA-N","24204541",NA,"PDBC17200","732173","Present"
-"2-[(E)-(2-Chloro-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Chloro-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","C1=CN=CC=C1C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N.Cl","XNOMMTDHWQIENP-YAKHFBBESA-N","24204542",NA,"PDBC17201","732174","Present"
-"2-[(E)-(2-Methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CC=CC=N3)C=NN=C(N)N.Cl","AXLSFPMWQARNOZ-ZDEOBDHWSA-N","24203142",NA,"PDBC17202","726881","Present"
-"2-[(E)-(2-Methyl-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Methyl-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CN=CC=C3)C=NN=C(N)N.Cl","QLOLNNNMOUJFAK-ZDEOBDHWSA-N","24203146",NA,"PDBC17203","726885","Present"
-"2-[(E)-(2-Methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CC=NC=C3)C=NN=C(N)N.Cl","TVWAEZMLYZXIJY-ZDEOBDHWSA-N","24203636",NA,"PDBC17204","728910","Present"
-"2-[(E)-(2-Methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CC=CS3)C=NN=C(N)N.Cl","PBDGMDIDQMHKPU-GBDQXREISA-N","24204549",NA,"PDBC17205","732178","Present"
-"2-[(E)-(2-Methyl-6-thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(2-Methyl-6-thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CSC=C3)C=NN=C(N)N.Cl","PQRZFBZEIKRJBT-HDNKIUSMSA-N","24204551",NA,"PDBC17206","732179","Present"
-"2-[(E)-(3,4-Dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(3,4-Dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C=C1)C=NN=C(N)NO)OC","ZOGHALLUERDSTL-WXIWBVQFSA-N","50990864",NA,"PDBC17207","646099","Present"
-"2-[(E)-(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(E)-(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]guanidine","","C1=C(C=C(C(=C1C=NN=C(N)N)O)Cl)Cl","UKJCBMNZFDBNOW-QLKAYGNNSA-N","135545702",NA,"PDBC17208","138367","Present"
-"2-[(E)-(3-Chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(3-Chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=CC(=C1)C=NN=C(N)NO)Cl)O","YEADGXKPYVFZLO-AQCBZIOHSA-N","135499239",NA,"PDBC17209","646110","Present"
-"2-[(E)-(3-Fluoro-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(3-Fluoro-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C=C1)C=NN=C(N)NO)F","UVFJJGDYLZOYSF-NKPNRJPBSA-N","50989442",NA,"PDBC17210","646098","Present"
-"2-[(E)-(3-Fluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(3-Fluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC(=C1)F)C=NN=C(N)NO","LCGHDRHYKMMXQX-HMXKFKBXSA-N","10177057",NA,"PDBC17211","646097","Present"
-"2-[(E)-(3-Oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(3-Oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoic acid","","C1CC2=CC3=C(C=C2C1)C(=O)C(=CC4=CC=CC=C4C(=O)O)C3","UVRYHLMIVKQCHB-CXUHLZMHSA-N","5887129",NA,"PDBC17212","674942","Present"
-"2-[(E)-(3-Oxo-1H-indol-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(3-Oxo-1H-indol-2-ylidene)methyl]benzoic acid","","C1=CC=C(C(=C1)C=C2C(=O)C3=CC=CC=C3N2)C(=O)O","FSMBKPJMPCXMRK-NTEUORMPSA-N","6150650",NA,"PDBC17213","123053","Present"
-"2-[(E)-(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C(=C1)C=NN=C(N)NO)[N+](=O)[O-])OC","MODFDSFUXIPFTE-NKPNRJPBSA-N","54600863",NA,"PDBC17214","646100","Present"
-"2-[(E)-(4,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(4,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoic acid","","CC1=CC(=C(C=C1)C=C2CC3=C(C=C(C=C3C2=O)C)C)C(=O)O","FACNVDJAAUYFIG-OQLLNIDSSA-N","6477507",NA,"PDBC17215","678382","Present"
-"2-[(E)-(4,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(4,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","CC1=CC(=C2CC(=CC3=CC=CC=C3C(=O)O)C(=O)C2=C1)C","SIHGSIZDDRHKRD-NTEUORMPSA-N","6078359",NA,"PDBC17216","678365","Present"
-"2-[(E)-(4,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(4,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","CC1=C2CC(=CC3=CC=CC=C3C(=O)O)C(=O)C2=C(C=C1)C","GEXNYJPCHTYAQV-NTEUORMPSA-N","6477509",NA,"PDBC17217","678384","Present"
-"2-[(E)-(5,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(5,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoic acid","","CC1=CC(=C(C=C1)C=C2CC3=C(C2=O)C=C(C(=C3)C)C)C(=O)O","HYTMHDZNFJTGTC-CXUHLZMHSA-N","5899016",NA,"PDBC17218","678368","Present"
-"2-[(E)-(5,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(5,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","CC1=CC2=C(C=C1C)C(=O)C(=CC3=CC=CC=C3C(=O)O)C2","NQBFAEFTDPVEFN-OQLLNIDSSA-N","6477502",NA,"PDBC17219","678375","Present"
-"2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-4-methyl-benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-4-methyl-benzoic acid","","CC1=CC(=C(C=C1)C(=O)O)C=C2CC3=CC(=CC(=C3C2=O)C)C","COEZTYQQCMDKPE-CXUHLZMHSA-N","5868844",NA,"PDBC17220","678367","Present"
-"2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid","","CC1=C(C(=CC=C1)C=C2CC3=CC(=CC(=C3C2=O)C)C)C(=O)O","RHFJCBIRRMHCST-CXUHLZMHSA-N","5936641",NA,"PDBC17221","678370","Present"
-"2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","CC1=CC(=C2C(=C1)CC(=CC3=CC=CC=C3C(=O)O)C2=O)C","WYTDNAJKPRSREL-OQLLNIDSSA-N","6477499",NA,"PDBC17222","678363","Present"
-"2-[(E)-(5-Benzyl-4-imino-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(E)-(5-Benzyl-4-imino-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenol","","CC1=C(C2=C(N1)N=CN(C2=N)N=CC3=CC=CC=C3O)CC4=CC=CC=C4","GZJAVWFEVFZJAW-DQTGVPGDSA-N","135505219",NA,"PDBC17223","704879","Present"
-"2-[(E)-(5-Methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(5-Methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","CC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CC=C3C(=O)O)C2","QVGYIUBIQRLKJI-NTEUORMPSA-N","6477512",NA,"PDBC17224","678389","Present"
-"2-[(E)-(5-Nitro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(E)-(5-Nitro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methylideneamino]guanidine","","C1CSC2=NC(=C(N21)[N+](=O)[O-])C=NN=C(N)N","LUGVUPCGTYXTEU-XCVCLJGOSA-N","9572247",NA,"PDBC17225","709141","Present"
-"2-[(E)-(5-Nitroimidazo[2,1-b][1,3]thiazol-6-yl)methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(E)-(5-Nitroimidazo[2,1-b][1,3]thiazol-6-yl)methylideneamino]guanidine","","C1=CSC2=NC(=C(N21)[N+](=O)[O-])C=NN=C(N)N","AQZTYZBCDOYHDI-XCVCLJGOSA-N","9572246",NA,"PDBC17226","709140","Present"
-"2-[(E)-(6,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(6,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid","","CC1=C(C(=CC=C1)C=C2CC3=C(C2=O)C(=C(C=C3)C)C)C(=O)O","CVYNJUFTRDMEIT-CXUHLZMHSA-N","5888698",NA,"PDBC17227","678372","Present"
-"2-[(E)-(6,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(6,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","CC1=C(C2=C(CC(=CC3=CC=CC=C3C(=O)O)C2=O)C=C1)C","UVEHQSYWBWURBC-OQLLNIDSSA-N","6477504",NA,"PDBC17228","678379","Present"
-"2-[(E)-(6-Oxocyclohexa-2,4-dien-1-ylidene)methyl]-N-[4-(piperidine-1-sulfonyl)phenyl]hydrazine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","Benzaldehyde, 2-hydroxy-, 4-[4-(1-piperidinylsulfonyl)ph...","","C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=CC3=CC=CC=C3O","HBJIKGJHUYWZDP-XSFVSMFZSA-N","135488762",NA,"PDBC17229","268688","Present"
-"2-[(E)-(6-Thiophen-2-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(6-Thiophen-2-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC=CS3.Cl","XRJFHQRSYWLVIE-JSSTZBRYSA-N","24204543",NA,"PDBC17230","732175","Present"
-"2-[(E)-(6-Thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(6-Thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","C1=CSC(=C1)C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","VTGWSTCVZWLPOD-JSSTZBRYSA-N","24203629",NA,"PDBC17231","728906","Present"
-"2-[(E)-(6-Thiophen-3-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(6-Thiophen-3-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CSC=C3.Cl","YDPKLHLTWULYFQ-OCSIRBNJSA-N","24204545",NA,"PDBC17232","732176","Present"
-"2-[(E)-(6-Thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-(6-Thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride","","C1=CSC=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","OBMMMQCIZOLGQL-OCSIRBNJSA-N","24203631",NA,"PDBC17233","728907","Present"
-"2-[(E)-(7-Methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(7-Methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","CC1=C2C(=CC=C1)CC(=CC3=CC=CC=C3C(=O)O)C2=O","VPMFATBOCHEXEA-NTEUORMPSA-N","6477506",NA,"PDBC17234","678381","Present"
-"2-[(E)-(Benzoylhydrazinylidene)methyl]-4,6-dichlorophenolate;cobalt(2+)","","","","","","","","","","","","","","","","","","","","2-[(E)-(Benzoylhydrazinylidene)methyl]-4,6-dichlorophenolate;cobalt(2+)","","C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-].C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-].[Co+2]","NNNWPVZEOMHZHA-QZYMEUQESA-L","9569757",NA,"PDBC17235","615376","Present"
-"2-[(E)-(Fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-(Fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid","","C1=CC=C(C(=C1)C=NN=C2C3=CC=CC=C3C4=CC=CC=C42)C(=O)O","AMULTEKXIYUBCP-LPYMAVHISA-N","5351984",NA,"PDBC17236","120672","Present"
-"2-[(E)-(Phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(E)-(Phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol","","C1=CC=C(C(=C1)C=NNC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2)O","PATBFKMMYZZDGH-YDZHTSKRSA-N","135436126",NA,"PDBC17237","709351","Present"
-"2-[(E)-1-(4-Fluorophenyl)pentylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(E)-1-(4-Fluorophenyl)pentylideneamino]guanidine","","CCCCC(=NN=C(N)N)C1=CC=C(C=C1)F","DFCSMZLIPXUWKR-LFIBNONCSA-N","9561770",NA,"PDBC17238","71717","Present"
-"2-[(E)-1-(4-Hydroxyphenyl)octylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(E)-1-(4-Hydroxyphenyl)octylideneamino]guanidine","","CCCCCCCC(=NN=C(N)N)C1=CC=C(C=C1)O","IUILDHLGMXMCKV-NBVRZTHBSA-N","135460274",NA,"PDBC17239","68980","Present"
-"2-[(E)-1-Pyridin-1-ium-1-ylpropan-2-ylideneamino]guanidine;chloride;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-1-Pyridin-1-ium-1-ylpropan-2-ylideneamino]guanidine;chloride;hydrochloride","","CC(=NN=C(N)N)C[N+]1=CC=CC=C1.Cl.[Cl-]","RALQWESVJIIFQY-BPWZRWDXSA-M","5351716",NA,"PDBC17240","24205","Present"
-"2-[(E)-1-[2-[5-[(E)-N-(Diaminomethylideneamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(E)-1-[2-[5-[(E)-N-(Diaminomethylideneamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=NN=C(N)N)C)C)C(=NN=C(N)N)C","YPZXJOGCEZNVNK-KVJLFNRQSA-N","9571323",NA,"PDBC17241","642611","Present"
-"2-[(E)-2,3-Dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-2,3-Dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.C1COC2=C(O1)C=CC(=C2)C=NN=C(N)NO","CHLSZIIGELHFCY-WXIWBVQFSA-N","9569923",NA,"PDBC17242","625736","Present"
-"2-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-5-(5-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","(E)-2-(2-(benzo[d][1,3]dioxol-5-yl)vinyl)-5-(3-methyl-1H...","","CC1=CC(=NN1)C2=NN=C(O2)C=CC3=CC4=C(C=C3)OCO4","LPMWBWZWEVNYGW-HWKANZROSA-N","155808300",NA,"PDBC17243","763646","Present"
-"2-[(E)-2-(1-Methylpyridin-1-ium-3-yl)ethenyl]quinolin-8-ol;chloride","","","","","","","","","","","","","","","","","","","","2-[(E)-2-(1-Methylpyridin-1-ium-3-yl)ethenyl]quinolin-8-ol;chloride","","C[N+]1=CC=CC(=C1)C=CC2=NC3=C(C=CC=C3O)C=C2.[Cl-]","PFNCHCNGVPPJLQ-BXTVWIJMSA-N","5351888",NA,"PDBC17244","79547","Present"
-"2-[(E)-2-(1H-Indol-3-yl)ethenyl]-1-methylquinolin-1-ium iodide","","","","","","","","","","","","","","","","","","","","2-[(E)-2-(1H-Indol-3-yl)ethenyl]-1-methylquinolin-1-ium iodide","","C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CNC4=CC=CC=C43.[I-]","MDMOCSQQUMCIHG-UHFFFAOYSA-N","54610240",NA,"PDBC17245","117185","Present"
-"2-[(E)-2-(2,4,5-Trimethoxyphenyl)ethenyl]pyridine","","","","","","","","","","","","","","","","","","","","2-[(E)-2-(2,4,5-Trimethoxyphenyl)ethenyl]pyridine","","COC1=CC(=C(C=C1C=CC2=CC=CC=N2)OC)OC","RBCSJKUIQXJMIZ-BQYQJAHWSA-N","5932257",NA,"PDBC17246","166728","Present"
-"2-[(E)-2-(2,4,6-Trimethoxyphenyl)ethenyl]quinoxaline","","","","","","","","","","","","","","","","","","","","2-[(E)-2-(2,4,6-Trimethoxyphenyl)ethenyl]quinoxaline","","COC1=CC(=C(C(=C1)OC)C=CC2=NC3=CC=CC=C3N=C2)OC","DANBYOBBNCPSLQ-CMDGGOBGSA-N","5925925",NA,"PDBC17247","166679","Present"
-"2-[(E)-2-(2-Hydroxyphenyl)ethenyl]-3-(6-methoxy-1,3-benzothiazol-2-yl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-[(E)-2-(2-Hydroxyphenyl)ethenyl]-3-(6-methoxy-1,3-benzothiazol-2-yl)quinazolin-4-one","","COC1=CC2=C(C=C1)N=C(S2)N3C(=NC4=CC=CC=C4C3=O)C=CC5=CC=CC=C5O","XHOQYWUNVZZTNR-JLHYYAGUSA-N","135505238",NA,"PDBC17248","706977","Present"
-"2-[(E)-2-(2-Hydroxyphenyl)ethenyl]-3-(6-methyl-1,3-benzothiazol-2-yl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-[(E)-2-(2-Hydroxyphenyl)ethenyl]-3-(6-methyl-1,3-benzothiazol-2-yl)quinazolin-4-one","","CC1=CC2=C(C=C1)N=C(S2)N3C(=NC4=CC=CC=C4C3=O)C=CC5=CC=CC=C5O","MCYWAVDDYMQBJZ-ACCUITESSA-N","135505237",NA,"PDBC17249","706976","Present"
-"2-[(E)-2-(4-Chloro-3-fluorophenyl)ethenyl]-3-(4-ethynylphenyl)pyrido[2,3-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","(E)-2-(4-chloro-3-fluorostyryl)-3-(4-ethynylphenyl)pyrid...","","C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)C=CC4=CC(=C(C=C4)Cl)F","YSANYBIILNOYSE-XYOKQWHBSA-N","90659712",NA,"PDBC17250","766320","Present"
-"2-[(E)-2-(Furan-3-yl)ethenyl]-3-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole","","","","","","","","","","","","","","","","","","","","2-[(E)-2-(Furan-3-yl)ethenyl]-3-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole","","CC1C2CCCN2OC1C=CC3=COC=C3","BEQCVWNTRFMCAF-SNAWJCMRSA-N","5387274",NA,"PDBC17251","622348","Present"
-"2-[(E)-2-(Thiadiazol-4-yl)vinyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(E)-2-(Thiadiazol-4-yl)vinyl]phenol","","C1=CC=C(C(=C1)C=CC2=CSN=N2)O","IRINIQUVJSCSIQ-AATRIKPKSA-N","5388345",NA,"PDBC17252","635117","Present"
-"2-[(E)-2-Carboxyethenyl]-5-methyl-4-oxo-1H-pyrimidine-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Pyrimidinecarboxylic acid, 2-(2-carboxyethenyl)-1,6-di...","","CC1=C(N=C(NC1=O)C=CC(=O)O)C(=O)O","XGLPTLSYCNNIFB-NSCUHMNNSA-N","135468171",NA,"PDBC17253","236671","Present"
-"2-[(E)-2-Ethylhexylideneamino]guanidine;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","Benzenesulfonic acid, 4-hydroxy-2-methyl-5-(1-methylethy...","","CCCCC(CC)C=NN=C(N)N.CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O","LDTXCBIFGADKLZ-FLDSLJMSSA-N","5351181",NA,"PDBC17254","66300","Present"
-"2-[(E)-2-Nitroethenyl]naphthalene","","","","","","","","","","","","","","","","","","","","Naphthalene, 2-(2-nitrovinyl)-","","C1=CC=C2C=C(C=CC2=C1)C=C[N+](=O)[O-]","FSQRAMKGHLSZCT-BQYQJAHWSA-N","5357963",NA,"PDBC17255","111556","Present"
-"2-[(E)-3,5-Dimethoxybenzylidene]-5,6-dimethoxyindan-1-one","","","","","","","","","","","","","","","","","","","","2-[(E)-3,5-Dimethoxybenzylidene]-5,6-dimethoxyindan-1-one","","COC1=CC(=CC(=C1)C=C2CC3=CC(=C(C=C3C2=O)OC)OC)OC","LVVJYQBHAUUDQL-LHHJGKSTSA-N","5469760",NA,"PDBC17256","692309","Present"
-"2-[(E)-3,5-Dimethylbenzylidene]-5,6-dimethoxyindan-1-one","","","","","","","","","","","","","","","","","","","","2-[(E)-3,5-Dimethylbenzylidene]-5,6-dimethoxyindan-1-one","","CC1=CC(=CC(=C1)C=C2CC3=CC(=C(C=C3C2=O)OC)OC)C","GLIOHVRRZYGXPQ-LZYBPNLTSA-N","5469762",NA,"PDBC17257","692313","Present"
-"2-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxyethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","2-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxyethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","","C1=CC(=C(C=C1C=CC(=O)OCCOC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","LTACDIIPISHXNX-FCXRPNKRSA-N","5470289",NA,"PDBC17258","699164","Present"
-"2-[(E)-3-(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-[(E)-3-(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione","","CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=CC2=C(N=C3N2C=CS3)Cl","LURPELKBTNREGD-GQCTYLIASA-N","5472504",NA,"PDBC17259","719726","Present"
-"2-[(E)-3-Oxo-5-phenyl-pent-4-enyl]indane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[(E)-3-Oxo-5-phenyl-pent-4-enyl]indane-1,3-dione","","C1=CC=C(C=C1)C=CC(=O)CCC2C(=O)C3=CC=CC=C3C2=O","OVTPBTNONQPUQV-ZHACJKMWSA-N","5871786",NA,"PDBC17260","649564","Present"
-"2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-methyl-allyl]sulfanylaniline","","","","","","","","","","","","","","","","","","","","2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-methyl-allyl]sulfanylaniline","","CC(C=CNNC1=NC(C(=NN1)C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=CC=C4N","ZQKSBFPMIVVJJI-WUKNDPDISA-N","5930144",NA,"PDBC17261","640639","Present"
-"2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-allyl]sulfanylaniline","","","","","","","","","","","","","","","","","","","","2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-allyl]sulfanylaniline","","C1=CC=C(C=C1)C2C(=NNC(=N2)NNC=CC(C3=CC=CC=C3)SC4=CC=CC=C4N)C5=CC=CC=C5","QPBVYEYJHYSPAY-QZQOTICOSA-N","5859228",NA,"PDBC17262","640629","Present"
-"2-[(E)-4-Bromobut-2-enyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","2-[(E)-4-Bromobut-2-enyl]-1,2,4-triazine-3,5-dione","","C1=NN(C(=O)NC1=O)CC=CCBr","SPWQUMPEBWFHEC-OWOJBTEDSA-N","5468889",NA,"PDBC17263","678979","Present"
-"2-[(E)-4-Chlorobut-2-enoxy]oxane","","","","","","","","","","","","","","","","","","","","2-[(E)-4-Chlorobut-2-enoxy]oxane","","C1CCOC(C1)OCC=CCCl","MEQZNJKQSDWFHR-DUXPYHPUSA-N","5386823",NA,"PDBC17264","618229","Present"
-"2-[(E)-4-Diethoxyphosphorylbut-2-enyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","2-[(E)-4-Diethoxyphosphorylbut-2-enyl]-1,2,4-triazine-3,5-dione","","CCOP(=O)(CC=CCN1C(=O)NC(=O)C=N1)OCC","COHBMXRETQLPCC-AATRIKPKSA-N","5468890",NA,"PDBC17265","678980","Present"
-"2-[(E)-4-Hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","2-[(E)-4-Hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione","","C1=NN(C(=O)NC1=O)CC=CCO","GQIUPNCBCINRQN-OWOJBTEDSA-N","5468893",NA,"PDBC17266","678983","Present"
-"2-[(E)-Benzylideneamino]-4-methyl-4-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","2-[(E)-Benzylideneamino]-4-methyl-4-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenylpyrazol-3-one","","CC1=C(NN=C1NC2(C(=NN(C2=O)N=CC3=CC=CC=C3)C4=CC=CC=C4)C)C5=CC=CC=C5","AJTQOKLLMRRUHR-MTDXEUNCSA-N","9572292",NA,"PDBC17267","710374","Present"
-"2-[(E)-Benzyloxyiminomethyl]pyridin-3-ol","","","","","","","","","","","","","","","","","","","","2-[(E)-Benzyloxyiminomethyl]pyridin-3-ol","","C1=CC=C(C=C1)CON=CC2=C(C=CC=N2)O","FKGXFBXRBFXISF-OQLLNIDSSA-N","135499206",NA,"PDBC17268","644866","Present"
-"2-[(E)-Furan-2-ylmethylideneamino]guanidine;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-Furan-2-ylmethylideneamino]guanidine;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid","","CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.C1=COC(=C1)C=NN=C(N)N","HVACGIAUTUPJDG-CDPAKSFWSA-N","9561735",NA,"PDBC17269","69911","Present"
-"2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-3-propan-2-yl-4H-imidazole","","","","","","","","","","","","","","","","","","","","2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-3-propan-2-yl-4H-imidazole","","CCCCCCCCC=CCCCCCCCC1=NC(CN1C(C)C)(C)C","QKZQHDILYLURDR-BUHFOSPRSA-N","5354706",NA,"PDBC17270","17746","Present"
-"2-[(E)-[(1,3,7-Trimethyl-2,6-dioxopurin-8-yl)hydrazinylidene]methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-[(1,3,7-Trimethyl-2,6-dioxopurin-8-yl)hydrazinylidene]methyl]benzoic acid","","CN1C2=C(N=C1NN=CC3=CC=CC=C3C(=O)O)N(C(=O)N(C2=O)C)C","LYTUKZARIFHVIZ-CAOOACKPSA-N","5771572",NA,"PDBC17271","64678","Present"
-"2-[(E)-[(2-Hydroxy-3-methoxyphenyl)-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]methyl]iminomethyl]-6-methoxyphenol","","","","","","","","","","","","","","","","","","","","2-[(E)-[(2-Hydroxy-3-methoxyphenyl)-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]methyl]iminomethyl]-6-methoxyphenol","","COC1=CC=CC(=C1O)C=NC(C2=C(C(=CC=C2)OC)O)N=CC3=C(C(=CC=C3)OC)O","QYOVXBVXFAJHQH-BKHCZYBLSA-N","135455640",NA,"PDBC17272","620465","Present"
-"2-[(E)-[(2Z)-2-Benzylideneheptylidene]amino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(E)-[(2Z)-2-Benzylideneheptylidene]amino]guanidine","","CCCCCC(=CC1=CC=CC=C1)C=NN=C(N)N","HTRMCBGZDPWOAH-OIKHISIKSA-N","23350939",NA,"PDBC17273","66287","Present"
-"2-[(E)-[(E)-3-Phenylprop-2-enylidene]amino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one","","","","","","","","","","","","","","","","","","","","2-[(E)-[(E)-3-Phenylprop-2-enylidene]amino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one","","C1=CC=C(C=C1)C=CC=NC2=NN3C(=O)C4=CC=CC=C4N=C3S2","FAHPVHYEBKCOBE-YKIVCEQRSA-N","9572082",NA,"PDBC17274","702031","Present"
-"2-[(E)-[1-[(E)-Carboxymethoxyiminomethyl]-2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]methylideneamino]oxyacetic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-[1-[(E)-Carboxymethoxyiminomethyl]-2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]methylideneamino]oxyacetic acid","","COC1=CC=C(C=C1)C2=C(N3C4=CC=CC=C4SC3=C2C=NOCC(=O)O)C=NOCC(=O)O","JIJSAPFXFNLIIR-JTZQCBLNSA-N","9572136",NA,"PDBC17275","704595","Present"
-"2-[(E)-[1-[3-(4-Methylanilino)-3-oxo-propanoyl]-3,5-diphenyl-pyrazol-4-yl]azo]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[(E)-[1-[3-(4-Methylanilino)-3-oxo-propanoyl]-3,5-diphenyl-pyrazol-4-yl]azo]benzoic acid","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4C(=O)O)C5=CC=CC=C5","MTJOFYQFUWLWLQ-UHFFFAOYSA-N","369709",NA,"PDBC17276","641756","Present"
-"2-[(E)-[2,3-Dimethyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[2,3-Dimethyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=CC=C3)[N+](=O)[O-])C.Cl","CKDLJFUPXMJYOM-CWSPIBBISA-N","9572548",NA,"PDBC17277","720144","Present"
-"2-[(E)-[2,3-Dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[2,3-Dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-])C.Cl","BCBPYUFZBCHQLG-CWSPIBBISA-N","9572550",NA,"PDBC17278","720147","Present"
-"2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide","","","","","","","","","","","","","","","","","","","","2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide","","CN(C)C(=O)CON=C1C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O","ZENOCHLMXUONHM-PTGBLXJZSA-N","135436304",NA,"PDBC17279","717843","Present"
-"2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetamide","","","","","","","","","","","","","","","","","","","","Acetamide, 2-[[[2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)...","","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCC(=O)N","RJDWQBIGYGWRAY-CJLVFECKSA-N","135436303",NA,"PDBC17280","717842","Present"
-"2-[(E)-[2-(4-Chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[2-(4-Chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride","","C1=CC2=NC(=C(N2C=C1)C=NN=C(N)N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-].Cl","XBWFASOQFKEYKD-BTSUEJIHSA-N","24205073",NA,"PDBC17281","734179","Present"
-"2-[(E)-[2-(4-Chloro-3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[2-(4-Chloro-3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]guanidine;hydrochloride","","C1=CC=C2C(=C1)N3C(=C(N=C3S2)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","VNQDABRFGFINOQ-LQGGPMKRSA-N","24204557",NA,"PDBC17282","732182","Present"
-"2-[(E)-[2-Chloro-6-(3,6-dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[2-Chloro-6-(3,6-dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N.Cl","DCFFBRZUBNBVIK-JKEJZTEDSA-N","9572615",NA,"PDBC17283","722866","Present"
-"2-[(E)-[2-Chloro-6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[2-Chloro-6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N)[N+](=O)[O-])Cl.Cl","ZRPFPSBIWKABOK-BLSWVXOOSA-N","9572619",NA,"PDBC17284","722868","Present"
-"2-[(E)-[2-Chloro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[2-Chloro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1=CC(=CC=C1C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N)[N+](=O)[O-].Cl","ULUHQSBBWXVOGZ-YAKHFBBESA-N","9572530",NA,"PDBC17285","720135","Present"
-"2-[(E)-[2-Methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[2-Methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CC(=CC=C3)[N+](=O)[O-])C=NN=C(N)N.Cl","NHNCOMYJWGQWGL-ZDEOBDHWSA-N","9572625",NA,"PDBC17286","722871","Present"
-"2-[(E)-[2-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[2-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)[N+](=O)[O-])C=NN=C(N)N.Cl","IBUINFFXLYSXIK-ZDEOBDHWSA-N","9572534",NA,"PDBC17287","720137","Present"
-"2-[(E)-[2-[(E)-(2-Hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(E)-[2-[(E)-(2-Hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol","","C1=CC=C(C(=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC=CC=C5O)O","PQNJPFOPMSRZMH-ASIDMNOUSA-N","135505247",NA,"PDBC17288","708417","Present"
-"2-[(E)-[3-Methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[3-Methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CSC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=CC=C3)[N+](=O)[O-].Cl","NBXGZHXXNAEADY-ZDEOBDHWSA-N","9572538",NA,"PDBC17289","720139","Present"
-"2-[(E)-[3-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[3-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CSC2=NC(=C(N12)C=NN=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-].Cl","HVMUZPRGTARBTF-ZDEOBDHWSA-N","9572540",NA,"PDBC17290","720140","Present"
-"2-[(E)-[5-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-4,11-diphenyl-1,3,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[5-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-4,11-diphenyl-1,3,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl]methylideneamino]guanidine;hydrochloride","","C1=CC=C(C=C1)C2=C(N3C=CC4=NC(=C(N4C3=N2)C=NN=C(N)N)C5=CC=CC=C5)C=NN=C(N)N.Cl","JGDMDDPVJWCJJS-VHPMZGPXSA-N","9572528",NA,"PDBC17291","720134","Present"
-"2-[(E)-[6-(2,4-Dichloro-5-methylphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,4-Dichloro-5-methylphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CCC1=CN2C(=C(N=C2S1)C3=C(C=C(C(=C3)C)Cl)Cl)C=NN=C(N)N.Cl","MJKNHJRONUHVMF-XLDILFPASA-N","9572664",NA,"PDBC17292","723553","Present"
-"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine","","C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-]","JIWYWOKVQLKWSD-BLLMUTORSA-N","16099260",NA,"PDBC17293","722867","Present"
-"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-])C.Cl","UDKVLEBRBOKCJV-BKBNNMJSSA-N","9572631",NA,"PDBC17294","722877","Present"
-"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","WPXMNLJNUHFLHO-RLNUVCJQSA-N","9572623",NA,"PDBC17295","722870","Present"
-"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CCCC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","BVNBBGJETFLXMG-XLDILFPASA-N","9572658",NA,"PDBC17296","723550","Present"
-"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CSC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-].Cl","QDZZJBTYRIBDJW-RLNUVCJQSA-N","9572629",NA,"PDBC17297","722873","Present"
-"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC720142///NSC722864","","C1=CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-].Cl","FADUUPOYPWUNTI-RZFZGDDESA-N","9572544",NA,"PDBC17298","720142///722864","Present"
-"2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=C(SC(=C3)Cl)Cl.Cl","DIRJYKYODNDOCZ-CQCNNJTASA-N","24204547",NA,"PDBC17299","732177","Present"
-"2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=C(SC(=C3)Cl)Cl)C=NN=C(N)N.Cl","BTASPSHRDHROMG-XYKFJBIISA-N","24204553",NA,"PDBC17300","732180","Present"
-"2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1=CSC2=NC(=C(N21)C=NN=C(N)N)C3=C(SC(=C3)Cl)Cl.Cl","SUWSJVKZXQFVBW-CQCNNJTASA-N","24204555",NA,"PDBC17301","732181","Present"
-"2-[(E)-[6-(2,5-Dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,5-Dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","COC1=CC(=C(C=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)OC)[N+](=O)[O-].Cl","BMSHXEIARYQJKV-CWSPIBBISA-N","9572735",NA,"PDBC17302","725093","Present"
-"2-[(E)-[6-(2,5-Dimethoxycyclohexyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,5-Dimethoxycyclohexyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","COC1CCC(C(C1)C2=C(N3C=CSC3=N2)C=NN=C(N)N)OC.Cl","QEMSOLUFXHXBKV-JUIXXEQESA-N","24202943",NA,"PDBC17303","726317","Present"
-"2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CC(=C(S1)C)C2=C(N3CCSC3=N2)C=NN=C(N)N.Cl","MNUZKYZFGNCNPZ-FPUQOWELSA-N","24203625",NA,"PDBC17304","728904","Present"
-"2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CC(=C(S1)C)C2=C(N3C=C(SC3=N2)C)C=NN=C(N)N.Cl","PHHLSLAKSIUNQU-YAKHFBBESA-N","24203627",NA,"PDBC17305","728905","Present"
-"2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CC(=C(S1)C)C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","SQUXYGJAUQYQPC-FPUQOWELSA-N","24203633",NA,"PDBC17306","728908","Present"
-"2-[(E)-[6-(2-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(2-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine","","C1=CC=C(C(=C1)C2=C(N3C=CSC3=N2)C=NN=C(N)N)[N+](=O)[O-]","SZOKNYRTKRGJMD-FRKPEAEDSA-N","9572238",NA,"PDBC17307","709135","Present"
-"2-[(E)-[6-(3,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(3,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","COC1=CC(=CC(=C1)C2=C(N3C=CSC3=N2)C=NN=C(N)N)OC.Cl","CVRKZZOTJFCHGZ-JUIXXEQESA-N","24204565",NA,"PDBC17308","732186","Present"
-"2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=C(C=CC(=C3[N+](=O)[O-])OC)OC)C.Cl","RBADQYRHNUBOFV-YYJLQXKGSA-N","11430941",NA,"PDBC17309","722876","Present"
-"2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3[N+](=O)[O-])OC)OC)C=NN=C(N)N.Cl","FNPZLAUQCHRTCG-HKPLGMKZSA-N","9572621",NA,"PDBC17310","722869","Present"
-"2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CCCC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3[N+](=O)[O-])OC)OC)C=NN=C(N)N.Cl","BTRYYQOYOMBURH-LQGGPMKRSA-N","9572654",NA,"PDBC17311","723548","Present"
-"2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","FLEIJSKZWPYODX-CWSPIBBISA-N","9572542",NA,"PDBC17312","720141","Present"
-"2-[(E)-[6-(3-Nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(3-Nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC(=CC=C3)[N+](=O)[O-].Cl","SAQNYLBXGRPXKG-OYXUYBEVSA-N","9572613",NA,"PDBC17313","722865","Present"
-"2-[(E)-[6-(3-Nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(3-Nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CCCC1=CN2C(=C(N=C2S1)C3=CC(=CC=C3)[N+](=O)[O-])C=NN=C(N)N.Cl","HEXABTQHVPFUEO-BTSUEJIHSA-N","9572660",NA,"PDBC17314","723551","Present"
-"2-[(E)-[6-(4-Aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine","","C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)N","ZQVQBYSSJORMHW-REZTVBANSA-N","9572245",NA,"PDBC17315","709139","Present"
-"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-].Cl","BICOAXDCPVRLBH-ZDEOBDHWSA-N","16099315",NA,"PDBC17316","728901","Present"
-"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C.Cl","JDDWMIJCLFFPHZ-HKPLGMKZSA-N","9572546",NA,"PDBC17317","720143","Present"
-"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=NN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","OIMLPWTXHVTQDZ-YAKHFBBESA-N","24205071",NA,"PDBC17318","734178","Present"
-"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","UOUYQWQYDAGGCM-RZFZGDDESA-N","9572532",NA,"PDBC17319","720136","Present"
-"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CCCC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","DTQYABBAYFJVIK-YYJLQXKGSA-N","9572656",NA,"PDBC17320","723549","Present"
-"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CC1=CSC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-].Cl","BKPDOUDLTNVZMT-RZFZGDDESA-N","9572536",NA,"PDBC17321","720138","Present"
-"2-[(E)-[6-(4-Chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1=CC(=C(C=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)[N+](=O)[O-])Cl.Cl","DERWTJGOMRFXEM-ZDEOBDHWSA-N","9572243",NA,"PDBC17322","709138","Present"
-"2-[(E)-[6-(4-Nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-].Cl","DJZBEVFNUNEDMH-OYXUYBEVSA-N","9572241",NA,"PDBC17323","709137","Present"
-"2-[(E)-[6-(4-Nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","CCCC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)[N+](=O)[O-])C=NN=C(N)N.Cl","FFYOHYMEMSLTDO-BTSUEJIHSA-N","9572662",NA,"PDBC17324","723552","Present"
-"2-[(E)-[6-(4-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(E)-[6-(4-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)[N+](=O)[O-].Cl","PPWFLEPSNYTIQD-OYXUYBEVSA-N","9572239",NA,"PDBC17325","709136","Present"
-"2-[(E)-[Methyl(2-quinolyl)hydrazono]methyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(E)-[Methyl(2-quinolyl)hydrazono]methyl]phenol","","CN(C1=NC2=CC=CC=C2C=C1)N=CC3=CC=CC=C3O","CFYWZXMOVDVVDV-LDADJPATSA-N","135443555",NA,"PDBC17326","168467","Present"
-"2-[(E)-[[1-(4-Chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(E)-[[1-(4-Chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenol","","CC1=NN(C2=NC=NC(=C12)NN=CC3=CC=CC=C3O)C4=CC=C(C=C4)Cl","NYGLIEONIATARD-AUEPDCJTSA-N","136040127",NA,"PDBC17327","753018","Present"
-"2-[(E)-[[4,6-Bis[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(E)-[[4,6-Bis[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol","","C1=CC=C(C(=C1)C=NNC2=NC(=NC(=N2)NN=CC3=CC=CC=C3O)NN=CC4=CC=CC=C4O)O","QPNBYBYEJDXUGU-FLHPZXMHSA-N","135509181",NA,"PDBC17328","669392","Present"
-"2-[(Hydroxymethyl)amino]ethanol","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[(hydroxymethyl)amino]-","","C(CO)NCO","NWPCFCBFUXXJIE-UHFFFAOYSA-N","61929",NA,"PDBC17329","614809","Present"
-"2-[(Isopropylsulfonyl)oxy]-6-nitro-1H-isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[(Isopropylsulfonyl)oxy]-6-nitro-1H-isoindole-1,3-dione","","CC(C)S(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]","MOVHDWSRFWRKKW-UHFFFAOYSA-N","364536",NA,"PDBC17330","630958","Present"
-"2-[(Methyl)[bis(aziridin-1-yl)phosphinyl]amino]acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","Glycine, N-[bis(1-aziridinyl)phosphinyl]-N-methyl, methy...","","CN(CC(=O)OC)P(=O)(N1CC1)N2CC2","NWJYUSXQHDBCNK-UHFFFAOYSA-N","357383",NA,"PDBC17331","615831","Present"
-"2-[(Phenylamino)methyl]benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-[(Phenylamino)methyl]benzene-1,4-diol","","C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","ZHXUBXUTTITGJH-UHFFFAOYSA-N","403336",NA,"PDBC17332","718125","Present"
-"2-[(Phenylcarbamothioylamino)methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[(Phenylcarbamothioylamino)methylene]propanediamide","","C1=CC=C(C=C1)NC(=S)NC=C(C(=O)N)C(=O)N","MMZRAMCNUYJSPS-UHFFFAOYSA-N","3004583",NA,"PDBC17333","658500","Present"
-"2-[(Propionyloxy)methyl]-5,3-b] carbazolium iodide","","","","","","","","","","","","","","","","","","","","2-[(Propionyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b] ...","","CCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]","XOQRSRCEXZZQKI-UHFFFAOYSA-N","365248",NA,"PDBC17334","632623","Present"
-"2-[(Pyridine-4-carbothioylamino)methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-{[(4-Pyridinylcarbothioyl)amino]methylene}malonamide","","C1=CN=CC=C1C(=S)NC=C(C(=O)N)C(=O)N","XCARYRZIDMBWCV-UHFFFAOYSA-N","3004530",NA,"PDBC17335","658302","Present"
-"2-[(S)-1-[(4-Methylphenyl)sulfinylamino]butyl]-3,3-diphenylpropenoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","2-[(S)-1-[(4-Methylphenyl)sulfinylamino]butyl]-3,3-diphenylpropenoic acid ethyl ester","","CCCC(C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OCC)NS(=O)C3=CC=C(C=C3)C","SETZUPSMDRZRHJ-CPMFFWQLSA-N","5471819",NA,"PDBC17336","714074","Present"
-"2-[(Tert-butylamino)(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one","","","","","","","","","","","","","","","","","","","","1(4H)-Naphthalenone, 2-[.alpha.-(tert-butylamino)benzyl]...","","CC1(C=C(C(=O)C2=CC=CC=C21)C(C3=CC=CC=C3)NC(C)(C)C)C","UAZPYFWXSMGWHR-UHFFFAOYSA-N","288969",NA,"PDBC17337","150347","Present"
-"2-[(Tert-butylamino)-phenylmethyl]-1-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-[(Tert-butylamino)(phenyl)methyl]-1-phenylprop-2-en-1-one","","CC(C)(C)NC(C1=CC=CC=C1)C(=C)C(=O)C2=CC=CC=C2","UNCAQULQGYCEFW-UHFFFAOYSA-N","268761",NA,"PDBC17338","109155","Present"
-"2-[(Z)-(10-Chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[(Z)-(10-Chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)C=NN=C(N)NO","WIWXYOQIKBEVIB-MYOVXYCFSA-N","9569917",NA,"PDBC17339","625733","Present"
-"2-[(Z)-(2-Butylsulfanyl-5-chloroimidazol-4-ylidene)methyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(Z)-(2-Butylsulfanyl-5-chloroimidazol-4-ylidene)methyl]phenol","","CCCCSC1=NC(=CC2=CC=CC=C2O)C(=N1)Cl","ZYEYWKKGULTKEU-LUAWRHEFSA-N","135505213",NA,"PDBC17340","704872","Present"
-"2-[(Z)-(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(Z)-(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride","","CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=NN=C(N)N.Cl","GMUMZGXBVRCMDO-ZTQBIIPRSA-N","135585534",NA,"PDBC17341","732188","Present"
-"2-[(Z)-(3-Phenylmethoxyphenyl)methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(Z)-(3-Phenylmethoxyphenyl)methylideneamino]guanidine","","C1=CC=C(C=C1)COC2=CC=CC(=C2)C=NN=C(N)N","OYMSXHFUKGKODW-ZDLGFXPLSA-N","5539541",NA,"PDBC17342","68149","Present"
-"2-[(Z)-(4-Phenylmethoxyphenyl)methylideneamino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(Z)-(4-Phenylmethoxyphenyl)methylideneamino]guanidine","","C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NN=C(N)N","TUWASWOKSINXMU-ZDLGFXPLSA-N","5539543",NA,"PDBC17343","68150","Present"
-"2-[(Z)-(5-Methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(Z)-(5-Methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride","","CC1=CC2=C(C=C1OC)C(=CN2)C=NN=C(N)N.Cl","OJRDZXADRDRLAI-NKBLJONXSA-N","135585536",NA,"PDBC17344","732189","Present"
-"2-[(Z)-1,4-Dihydroxy-2-oxo-4-phenylbut-3-enylidene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[(Z)-1,4-Dihydroxy-2-oxo-4-phenylbut-3-enylidene]propanediamide","","C1=CC=C(C=C1)C(=CC(=O)C(=C(C(=O)N)C(=O)N)O)O","GGXAHGZCNAQJIH-VURMDHGXSA-N","54685707",NA,"PDBC17345","707067","Present"
-"2-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl]thiazol-4-one","","","","","","","","","","","","","","","","","","","","2-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl]thiazol-4-one","","C1C(=O)N=C(S1)C(=CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3","YQGHOMAOVPGAMO-LCYFTJDESA-N","5467406",NA,"PDBC17346","652048","Present"
-"2-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-methoxyphenyl)vinyl]thiazol-4-one","","","","","","","","","","","","","","","","","","","","2-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-methoxyphenyl)vinyl]thiazol-4-one","","COC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)C4=NC(=O)CS4","MKLKMCAFEKLPRE-UVTDQMKNSA-N","5467405",NA,"PDBC17347","652047","Present"
-"2-[(Z)-1-(Benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran","","","","","","","","","","","","","","","","","","","","2-[(Z)-1-(Benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran","","C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(O3)[N+](=O)[O-]","GUAVNJZMDUKXQD-ATVHPVEESA-N","6510977",NA,"PDBC17348","291050","Present"
-"2-[(Z)-1-Acetoxy-2-cyano-3-hydroxy-3-oxo-prop-1-enyl]-6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-3,4-dihydro-2H-pyridine-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-[(Z)-1-Acetyloxy-2-carboxy-2-cyanoethenyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid","","CC(=O)OC(=C(C#N)C(=O)O)C1C(C(C=C(N1C2=CC=NC=C2)C3=CC=CO3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O","QMPVUMFVHBLHOM-PLRJNAJWSA-N","3005339",NA,"PDBC17349","692581","Present"
-"2-[(Z)-1-[2-Oxo-4-[(E)-styryl]chromen-7-yl]oxy-2-phenyl-vinyl]-3,1-benzoxazin-4-one","","","","","","","","","","","","","","","","","","","","2-[(Z)-1-[2-Oxo-4-[(E)-styryl]chromen-7-yl]oxy-2-phenyl-vinyl]-3,1-benzoxazin-4-one","","C1=CC=C(C=C1)C=CC2=CC(=O)OC3=C2C=CC(=C3)OC(=CC4=CC=CC=C4)C5=NC6=CC=CC=C6C(=O)O5","YTULQCIFFQVHLB-QLLPQLFKSA-N","5804257",NA,"PDBC17350","643010","Present"
-"2-[(Z)-1-[4-(4-Acetylphenoxy)phenyl]ethylideneamino]guanidine;nitric acid","","","","","","","","","","","","","","","","","","","","Guanidine, [[p-(p-acetylphenoxy)-.alpha.-methylbenzylide...","","CC(=NN=C(N)N)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C.[N+](=O)(O)[O-]","GBITZLYLIJJIDW-FZLYBSHOSA-N","20844176",NA,"PDBC17351","97911","Present"
-"2-[(Z)-2-(3,4,5-Trimethoxyphenyl)ethenyl]pyridine","","","","","","","","","","","","","","","","","","","","(Z)2-[2-(3,4,5-Trimethoxyphenyl)ethenyl]pyridine","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=CC=N2","XUXIXPBKILBJGB-FPLPWBNLSA-N","5388743",NA,"PDBC17352","638394","Present"
-"2-[(Z)-2-(4-Chlorophenyl)ethenyl]-1-methylquinolin-1-ium iodide","","","","","","","","","","","","","","","","","","","","2-[(Z)-2-(4-Chlorophenyl)ethenyl]-1-methylquinolin-1-ium iodide","","C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)Cl.[I-]","JZIONOMFZALCOC-JCTPKUEWSA-M","54598850",NA,"PDBC17353","10520","Present"
-"2-[(Z)-2-(Benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran","","","","","","","","","","","","","","","","","","","","2-[(Z)-2-(Benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran","","C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(O3)[N+](=O)[O-]","STDKPKUCUGOEAT-UVTDQMKNSA-N","6072945",NA,"PDBC17354","291049","Present"
-"2-[(Z)-2-Carboxy-1-(6-nitro-1H-benzimidazol-2-yl)ethenyl]-4-chlorophenolate","","","","","","","","","","","","","","","","","","","","(Z)-3-(5-chloro-2-hydroxyphenyl)-3-(5-nitro-1H-benzo[d]i...","","C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)C(=CC(=O)O)C3=C(C=CC(=C3)Cl)[O-]","LQOFHEZGFCOFDN-XFFZJAGNSA-M","155812247",NA,"PDBC17355","791026","Present"
-"2-[(Z)-3-Chloro-1,3-dinitro-prop-2-enylidene]-1,3-dihydrobenzimidazole","","","","","","","","","","","","","","","","","","","","2-[(Z)-3-Chloro-1,3-dinitro-prop-2-enylidene]-1,3-dihydrobenzimidazole","","C1=CC=C2C(=C1)NC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])N2","OQTBGTQYMKJGSD-WEVVVXLNSA-N","5775992",NA,"PDBC17356","673153","Present"
-"2-[(Z)-4-Hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","2-[(Z)-4-Hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione","","C1=NN(C(=O)NC1=O)CC=CCO","GQIUPNCBCINRQN-UPHRSURJSA-N","5468891",NA,"PDBC17357","678981","Present"
-"2-[(Z)-6-(2,3,4,5,6-Pentafluorophenyl)hex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-(2,3,4,5,6-Pentafluorophenyl)hex-3-en-1,5-diynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC2=C(C(=C(C(=C2F)F)F)F)F)N","JVPLDIVSKCIRML-UPHRSURJSA-N","24205408",NA,"PDBC17358","735437","Present"
-"2-[(Z)-6-(2,4-Dichlorophenyl)hex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-(2,4-Dichlorophenyl)hex-3-en-1,5-diynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC2=C(C=C(C=C2)Cl)Cl)N","TUJSLXBPJOQHNT-UPHRSURJSA-N","24204956",NA,"PDBC17359","733693","Present"
-"2-[(Z)-6-(2,4-Difluorophenyl)hex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-(2,4-Difluorophenyl)hex-3-en-1,5-diynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC2=C(C=C(C=C2)F)F)N","PABVIXOFQRSXOC-UPHRSURJSA-N","24204955",NA,"PDBC17360","733692","Present"
-"2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2N)N","JVRFMOVGPUGXCU-UPHRSURJSA-N","11311467",NA,"PDBC17361","727180","Present"
-"2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]benzonitrile","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]benzonitrile","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2N)C#N","FXQSMCFKUSIEOT-UPHRSURJSA-N","10378341",NA,"PDBC17362","725624","Present"
-"2-[(Z)-6-(2-Fluorophenyl)hex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-(2-Fluorophenyl)hex-3-en-1,5-diynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2F)N","AFNOGZGAZZYSRQ-UPHRSURJSA-N","24204954",NA,"PDBC17363","733691","Present"
-"2-[(Z)-6-(2-Methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-(2-Methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile","","COC1=CC=CC=C1C#CC=CC#CC2=CC=CC=C2C#N","RAZCVFMGVQSDGL-IHWYPQMZSA-N","5473138",NA,"PDBC17364","724258","Present"
-"2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]aniline","","CSC1=CC=CC=C1C#CC=CC#CC2=CC=CC=C2N","ABGMGRWKYRXUSZ-IHWYPQMZSA-N","24203586",NA,"PDBC17365","728666","Present"
-"2-[(Z)-6-(2-Nitrophenyl)hex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-(2-Nitrophenyl)hex-3-en-1,5-diynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2[N+](=O)[O-])N","MINDMMVLVQSNEF-UPHRSURJSA-N","24203905",NA,"PDBC17366","730091","Present"
-"2-[(Z)-6-Phenylhex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-Phenylhex-3-en-1,5-diynyl]aniline","","C1=CC=C(C=C1)C#CC=CC#CC2=CC=CC=C2N","HDUUPYWKPHLUJG-UPHRSURJSA-N","24203587",NA,"PDBC17367","728667","Present"
-"2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC2=NC=CN=C2)N","WQIICJJBZWLNQM-UPHRSURJSA-N","24203529",NA,"PDBC17368","728456","Present"
-"2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]benzonitrile","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]benzonitrile","","C1=CC=C(C(=C1)C#CC=CC#CC2=NC=CN=C2)C#N","QKPFOYDOODMTLQ-UPHRSURJSA-N","10083690",NA,"PDBC17369","725622","Present"
-"2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine","","C1=CN=C(C=N1)C#CC=CC#CC2=NC=CN=C2","UMZOOOHWQLIHOG-UPHRSURJSA-N","11436194",NA,"PDBC17370","731647","Present"
-"2-[(Z)-6-Pyridin-2-ylhex-3-en-1,5-diynyl]benzonitrile","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-Pyridin-2-ylhex-3-en-1,5-diynyl]benzonitrile","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=N2)C#N","XONMYKWSZBFFNT-UPHRSURJSA-N","5473139",NA,"PDBC17371","724259","Present"
-"2-[(Z)-6-Thiophen-2-ylhex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-Thiophen-2-ylhex-3-en-1,5-diynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CS2)N","AGQIHONMKISVDX-UPHRSURJSA-N","11402431",NA,"PDBC17372","728594","Present"
-"2-[(Z)-6-Thiophen-2-ylhex-3-en-1,5-diynyl]benzonitrile","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-Thiophen-2-ylhex-3-en-1,5-diynyl]benzonitrile","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CS2)C#N","CVNMRRVMSVVLJJ-UPHRSURJSA-N","11357398",NA,"PDBC17373","725623","Present"
-"2-[(Z)-6-[2-(Trifluoromethoxy)phenyl]hex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-[2-(Trifluoromethoxy)phenyl]hex-3-en-1,5-diynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2OC(F)(F)F)N","CKTZYCPUGFAICQ-UPHRSURJSA-N","24206045",NA,"PDBC17374","737784","Present"
-"2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]aniline","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2N)C(F)(F)F","RIVMZDYIDPOHHA-UPHRSURJSA-N","24203959",NA,"PDBC17375","730269","Present"
-"2-[(Z)-Ethylideneamino]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","NSC639675","","CC=NN1C(=O)C2=CC=CC=C2C1=O","NSIJWEIEGUCALU-FUQNDXKWSA-N","5823964",NA,"PDBC17376","639675","Present"
-"2-[(Z)-Heptadec-10-enyl]-6-methoxybenzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-[(E)-Heptadec-10-enyl]-6-methoxy-benzene-1,4-diol","","CCCCCCC=CCCCCCCCCCC1=C(C(=CC(=C1)O)OC)O","BDWQNYPENCTULP-HJWRWDBZSA-N","5386673",NA,"PDBC17377","615495","Present"
-"2-[(Z)-Heptadec-10-enyl]-6-methoxyphenol","","","","","","","","","","","","","","","","","","","","2-[(Z)-Heptadec-10-enyl]-6-methoxyphenol","","CCCCCCC=CCCCCCCCCCC1=C(C(=CC=C1)OC)O","IBEUJKXFTKVAMQ-HJWRWDBZSA-N","5351346",NA,"PDBC17378","617540","Present"
-"2-[(Z)-Methoxyimino]-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (E)-O-methyloxyimino-2-[2-(trifluoromethyl)phenox...","","COC(=O)C(=NOC)C1=CC=CC=C1COC2=CC=CC=C2C(F)(F)F","BMHRZODGWOUWQK-CJLVFECKSA-N","6520923",NA,"PDBC17379","720765","Present"
-"2-[(Z)-Methoxyimino]-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","2-[(Z)-Methoxyimino]-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester","","COC(=O)C(=NOC)C1=CC=CC=C1COC2=CC=CC(=C2)C(F)(F)F","OJTNAYGNGOALRM-CJLVFECKSA-N","6520817",NA,"PDBC17380","718135","Present"
-"2-[(Z)-[(5E)-5-(1,3-Benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(Z)-[(5E)-5-(1,3-Benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]phenol","","CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC4=CC=CC=C4O)C5=CC(=CC=C5)Cl","FYTHPZABKHVCFU-LQQRMMAFSA-N","135436210",NA,"PDBC17381","713650","Present"
-"2-[(Z)-[(E)-3-(4-Methylphenyl)-1-phenylprop-2-enylidene]amino]guanidine","","","","","","","","","","","","","","","","","","","","2-[(Z)-[(E)-3-(4-Methylphenyl)-1-phenylprop-2-enylidene]amino]guanidine","","CC1=CC=C(C=C1)C=CC(=NN=C(N)N)C2=CC=CC=C2","XZHIIDSBDZACFH-TXXYZZINSA-N","9561739",NA,"PDBC17382","69917","Present"
-"2-[(Z)-[2-Chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(Z)-[2-Chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N.Cl","RVIYDDDNYAFDSO-PXQSGXIUSA-N","54612614",NA,"PDBC17383","722874","Present"
-"2-[(Z)-[2-Ethylsulfanyl-5-(4-methylanilino)imidazol-4-ylidene]methyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(Z)-[2-Ethylsulfanyl-5-(4-methylanilino)imidazol-4-ylidene]methyl]phenol","","CCSC1=NC(=CC2=CC=CC=C2O)C(=N1)NC3=CC=C(C=C3)C","ODZNYNIONCCVMA-VBKFSLOCSA-N","135494019",NA,"PDBC17384","691981","Present"
-"2-[(Z)-[5-Ethyl-2-[(2E)-2-(2-furylmethylene)hydrazino]imidazol-4-ylidene]methyl]phenol","","","","","","","","","","","","","","","","","","","","2-[(Z)-[5-Ethyl-2-[(2E)-2-(2-furylmethylene)hydrazino]imidazol-4-ylidene]methyl]phenol","","CCC1=NC(=NC1=CC2=CC=CC=C2O)NN=CC3=CC=CO3","FKJSNOAIIYCSDS-ODXRKRKHSA-N","135484734",NA,"PDBC17385","697679","Present"
-"2-[(Z)-[6-(3-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[(Z)-[6-(3-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","IRWMHTWBYYUWMR-GBKTVRHWSA-N","54612616",NA,"PDBC17386","722875","Present"
-"2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-","","CC(=CCCC(C)(C1CCC2(C1CCC3C2(C(CC4C3(CCC(C4(C)C)O)C)O)C)C)OC5C(C(C(C(O5)CO)O)O)O)CO","QAXBECHONHXMHS-IOHXJDLKSA-N","5468691",NA,"PDBC17387","674624","Present"
-"2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-8-(hydroxymethyl)-4,4,10,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-8-(hydroxymethyl)-4,4,10,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-","","CC(=CCCC(C)(C1CCC2(C1CCC3C2(C(CC4C3(CCC(C4(C)C)O)C)O)CO)C)OC5C(C(C(C(O5)CO)O)O)O)CO","HGYRBMZHJGVFPT-BKWUIANHSA-N","5468692",NA,"PDBC17388","674625","Present"
-"2-[1,1'-Biphenyl]-4-yl-2-oxoethyl 2-(4-(cyclohexylmethoxy)phenoxy)propanoate","","","","","","","","","","","","","","","","","","","","2-[1,1'-Biphenyl]-4-yl-2-oxoethyl 2-(4-(cyclohexylmethoxy)phenoxy)propanoate","","CC(C(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)OC3=CC=C(C=C3)OCC4CCCCC4","NPPFEMJOUNELEJ-UHFFFAOYSA-N","375846",NA,"PDBC17389","656099","Present"
-"2-[1,1'-Biphenyl]-4-yl-2-vinyl-1,3-dioxolane","","","","","","","","","","","","","","","","","","","","2-[1,1'-Biphenyl]-4-yl-2-vinyl-1,3-dioxolane","","C=CC1(OCCO1)C2=CC=C(C=C2)C3=CC=CC=C3","HYGNNRLZNCREHV-UHFFFAOYSA-N","383347",NA,"PDBC17390","671461","Present"
-"2-[1,3-Bis(3,5-dimethylphenoxy)propan-2-yloxy]-N,N-diethylethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[1,3-Bis(3,5-dimethylphenoxy)propan-2-yloxy]-N,N-diethylethanamine;hydrochloride","","CCN(CC)CCOC(COC1=CC(=CC(=C1)C)C)COC2=CC(=CC(=C2)C)C.Cl","JXIZRKMFJFXGGX-UHFFFAOYSA-N","54598472",NA,"PDBC17391","15532","Present"
-"2-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanylacetic acid","","","","","","","","","","","","","","","","","","","","{[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl}acetic acid","","C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)SCC(=O)O)Cl","AUWASCFGQNGISC-UHFFFAOYSA-N","403129",NA,"PDBC17392","717766","Present"
-"2-[1,3-Bis(4-methoxybenzoyl)indol-2-yl]-1,3-bis(4-methoxyphenyl)propane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[1,3-Bis(4-methoxybenzoyl)-1h-indol-2-yl]-1,3-bis(4-methoxyphenyl)propane-1,3-dione","","COC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OC)C(C(=O)C5=CC=C(C=C5)OC)C(=O)C6=CC=C(C=C6)OC","JQAPMPAGZZETIG-UHFFFAOYSA-N","374854",NA,"PDBC17393","653278","Present"
-"2-[1,5-Bis(4-chlorophenyl)triazol-4-yl]-1,4,5,6-tetrahydropyrimidine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2-[1,5-bis(4-chlorophenyl)-1H-1,2,3-triazol-...","","C1CNC(=NC1)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","RSYAYAMTPOORGY-UHFFFAOYSA-N","371087",NA,"PDBC17394","645033","Present"
-"2-[1-(2-Fluorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide","","","","","","","","","","","","","","","","","","","","2-(1-(2-fluorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py...","","C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC=NC=C4","RIXXYEKIEFXNKR-UHFFFAOYSA-N","155811215",NA,"PDBC17395","758376","Present"
-"2-[1-(2-Oxocyclopentyl)ethyl]cyclopentan-1-one","","","","","","","","","","","","","","","","","","","","1,1-Bis-(2-oxo-cyclopentyl)-ethan","","CC(C1CCCC1=O)C2CCCC2=O","YUCLXLUEJODABX-UHFFFAOYSA-N","380801",NA,"PDBC17396","666520","Present"
-"2-[1-(3,4-Dichlorobenzyl)-2-methyl-5-(methylsulfanyl)-1H-indol-3-yl]ethanamine hydrochloride","","","","","","","","","","","","","","","","","","","","2-[1-(3,4-dichlorobenzyl)-2-methyl-5-(methylsulfanyl)-1H...","","CC1=C(C2=C(N1CC3=CC(=C(C=C3)Cl)Cl)C=CC(=C2)SC)CCN.Cl","SLBDRLLHKFZTCD-UHFFFAOYSA-N","24182509",NA,"PDBC17397","17382","Present"
-"2-[1-(3-Chlorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide","","","","","","","","","","","","","","","","","","","","2-(1-(3-chlorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py...","","C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4","SURWQNOIRJCQCU-UHFFFAOYSA-N","155814551",NA,"PDBC17398","755295","Present"
-"2-[1-(3-Fluorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide","","","","","","","","","","","","","","","","","","","","2-(1-(3-fluorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py...","","C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC(=C3)F)C(=O)C(=O)NC4=CC=NC=C4","FDWUAWNMERTXET-UHFFFAOYSA-N","155814561",NA,"PDBC17399","763595","Present"
-"2-[1-(3-Piperidin-1-ylpropyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-{2-[1-(3-Piperidin-1-yl-propyl)-1H-indol-3-yl]-thiazol...","","C1CCN(CC1)CCCN2C=C(C3=CC=CC=C32)C4=NC(=CS4)C5=CNC6=C5C=CC=N6","WVRBSSQHLKSGJZ-UHFFFAOYSA-N","155808744",NA,"PDBC17400","793995","Present"
-"2-[1-(4-(2-Pyrimidyl)piperazine)]-naphthazarin","","","","","","","","","","","","","","","","","","","","2-[1-(4-(2-pyrimidyl)piperazine)]-naphthazarin","","C1CN(CCN1C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C4=NC=CC=N4","RBQUNWQTRHCQEU-UHFFFAOYSA-N","438703",NA,"PDBC17401","659646","Present"
-"2-[1-(4-(4'-Acetophenone)piperazino)]-naphthazarin","","","","","","","","","","","","","","","","","","","","2-[1-(4-(4'-acetophenone)piperazino)]-naphthazarin","","CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC(=O)C4=C(C=CC(=C4C3=O)O)O","RQJRYRKHGIWNMD-UHFFFAOYSA-N","438711",NA,"PDBC17402","660636","Present"
-"2-[1-(4-Bromophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,5-dihydroxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-[1-(4-Bromophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,5-dihydroxyphenyl)ethanone","","CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)CC(=O)C3=C(C=CC(=C3)O)O","GYGWZXNSIUJGMP-UHFFFAOYSA-N","24204134",NA,"PDBC17403","730711","Present"
-"2-[1-(4-Bromophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide","","","","","","","","","","","","","","","","","","","","2-(1-(4-bromophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(pyr...","","C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)C(=O)NC4=CC=NC=C4","HMHBJLKKSXBBQL-UHFFFAOYSA-N","155814546",NA,"PDBC17404","758381","Present"
-"2-[1-(4-Chlorobenzoyl)-5-methoxyindol-3-yl]-N-[[1-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]triazol-4-yl]methyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl)-N-((1-((...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CNC(=O)CC5=CN(C6=C5C=C(C=C6)OC)C(=O)C7=CC=C(C=C7)Cl","GSZVFFJMWSVRCR-BLWOOQNBSA-N","155806115",NA,"PDBC17405","800513","Present"
-"2-[1-(4-Chlorophenyl)-2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-yl]ethyl]sulfanylacetic acid","","","","","","","","","","","","","","","","","","","","({1-(4-Chlorophenyl)-2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-yl]ethyl}sulfanyl)acetic acid","","C1C(=O)NC(S1)(CC(C2=CC=C(C=C2)Cl)SCC(=O)O)C3=CC=C(C=C3)Cl","OPUXJICUYBTEKY-UHFFFAOYSA-N","403130",NA,"PDBC17406","717767","Present"
-"2-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]-5-methyl-4H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","2-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]-5-methyl-4H-pyrazol-3-one","","CC1=NN(C(=O)C1)C(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl","YYLAODGMINXHOC-UHFFFAOYSA-N","46884840",NA,"PDBC17407","748377","Present"
-"2-[1-(4-Chlorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide","","","","","","","","","","","","","","","","","","","","2-(1-(4-chlorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py...","","C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4","MGYMSGQDZATSRV-UHFFFAOYSA-N","155808314",NA,"PDBC17408","758356","Present"
-"2-[1-(4-Fluorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide","","","","","","","","","","","","","","","","","","","","2-(1-(4-fluorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py...","","C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)F)C(=O)C(=O)NC4=CC=NC=C4","WULNLKUELQDNHW-UHFFFAOYSA-N","155811237",NA,"PDBC17409","755273","Present"
-"2-[1-(4-Hydroxyphenyl)-3-[4-[4-[[3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)isoindol-1-yl]amino]phenyl]sulfonylanilino]isoindol-1-yl]phenol","","","","","","","","","","","","","","","","","","","","2-[1-(4-hydroxyphenyl)-3-[4-[4-[[3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)isoindol-1-yl]amino]phenyl]sulfonylanilino]isoindol-1-yl]phenol","","C1=CC=C2C(=C1)C(=NC2(C3=CC=C(C=C3)O)C4=CC=CC=C4O)NC5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)NC7=NC(C8=CC=CC=C87)(C9=CC=C(C=C9)O)C1=CC=CC=C1O","NUIPNOYTCVCFBH-UHFFFAOYSA-N","392994",NA,"PDBC17410","694236","Present"
-"2-[1-(4-Methylphenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide","","","","","","","","","","","","","","","","","","","","2-oxo-N-(pyridin-4-yl)-2-(1-tosyl-1H-indol-3-yl)acetamide","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(=O)C(=O)NC4=CC=NC=C4","DSQJLXLABSFRDQ-UHFFFAOYSA-N","155814544",NA,"PDBC17411","758357","Present"
-"2-[1-(5,6-Dimethoxy-1-oxo-indan-2-yl)-5,6-dimethoxy-3-oxo-inden-2-yl]isothiourea","","","","","","","","","","","","","","","","","","","","2-[1-(5,6-Dimethoxy-1-oxo-indan-2-yl)-5,6-dimethoxy-3-oxo-inden-2-yl]isothiourea","","CO.COC1=C(C=C2C(=C1)CC(C2=O)C3=C(C(=O)C4=CC(=C(C=C43)OC)OC)SC(=N)N)OC","VWNKKALAMAVQLH-UHFFFAOYSA-N","372825",NA,"PDBC17412","648487","Present"
-"2-[1-(6,7-Dimethyl-1-phenyl-pyrazolo[4,3-b]quinoxalin-3-yl)-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[1-(6,7-Dimethyl-1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3C4=CC=CC=C4)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O","OGXYVTPISIOQIJ-UHFFFAOYSA-N","365571",NA,"PDBC17413","633366","Present"
-"2-[1-(Benzenesulfonyl)-2-phenylindol-3-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","[2-Phenyl-1-(phenylsulfonyl)-1H-indol-3-yl]acetonitrile","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)CC#N","GWAZUEMNSNAMFP-UHFFFAOYSA-N","374835",NA,"PDBC17414","653262","Present"
-"2-[1-(Benzenesulfonyl)indol-3-yl]propanenitrile","","","","","","","","","","","","","","","","","","","","2-[1-(Phenylsulfonyl)-1H-indol-3-yl]propanenitrile","","CC(C#N)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3","CWCRFKFOZXOPKE-UHFFFAOYSA-N","374838",NA,"PDBC17415","653264","Present"
-"2-[1-(Carboxymethyl)-3-methylcyclohexyl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[1-(Carboxymethyl)-3-methyl-cyclohexyl]acetic acid","","CC1CCCC(C1)(CC(=O)O)CC(=O)O","HJPDHTDUPWGUHP-UHFFFAOYSA-N","220370",NA,"PDBC17416","3001","Present"
-"2-[1-(p-Tolylsulfonyl)indolin-3-yl]ethanamine","","","","","","","","","","","","","","","","","","","","2-[1-(p-Tolylsulfonyl)indolin-3-yl]ethanamine","","CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3=CC=CC=C32)CCN","ZAZWTDAKZGOQBY-UHFFFAOYSA-N","394096",NA,"PDBC17417","697234","Present"
-"2-[1-Acetyl-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[1-Acetyl-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate","","CC(=O)N1C(=O)N(C(=N1)CC2=CC=C(C=C2)Cl)CCOC(=O)C","YWNSLLUTTNYAPV-UHFFFAOYSA-N","389503",NA,"PDBC17418","685789","Present"
-"2-[1-Acetyl-3-[(4-nitrophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[1-Acetyl-3-[(4-nitrophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate","","CC(=O)N1C(=O)N(C(=N1)CC2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)C","BMCZPRFRPXMGKV-UHFFFAOYSA-N","389504",NA,"PDBC17419","685790","Present"
-"2-[1-Acetyl-5-oxo-3-(p-tolylmethyl)-1,2,4-triazol-4-yl]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[1-Acetyl-5-oxo-3-(p-tolylmethyl)-1,2,4-triazol-4-yl]ethyl acetate","","CC1=CC=C(C=C1)CC2=NN(C(=O)N2CCOC(=O)C)C(=O)C","YWYKPULBGFWEAS-UHFFFAOYSA-N","389502",NA,"PDBC17420","685788","Present"
-"2-[1-Ethoxy-2-(2-nitrophenyl)selanyl-butoxy]cyclohexene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","2-{1-Ethoxy-2-[(2-nitrophenyl)selanyl]butoxy}cyclohex-1-ene-1-carbonitrile","","CCC(C(OCC)OC1=C(CCCC1)C#N)[Se]C2=CC=CC=C2[N+](=O)[O-]","RMSWUWPQJYGLLF-UHFFFAOYSA-N","371758",NA,"PDBC17421","646201","Present"
-"2-[1-[(3S,8R,9S,10S,13R,14S,17S)-3-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[1-[(3S,8R,9S,10S,13R,14S,17S)-3-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-6-(hyd","","CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O)OC)O","NTBNNYBMKBZEQS-FXOVTYSZSA-N","396687",NA,"PDBC17422","703213","Present"
-"2-[1-[(Z)-3-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[1-[(Z)-3-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile","","COC1=C(C=C(C=C1)C=C(C(=O)C2=CC=C(C=C2)Cl)N3C=CC=CC3=C(C#N)C#N)OC","YFWRGMFYNJSRPJ-XKZIYDEJSA-N","5470857",NA,"PDBC17423","705928","Present"
-"2-[1-[1-(4-Fluorophenyl)-6,7-dimethyl-pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[1-[1-(4-Fluorophenyl)-6,7-dimethylpyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3C4=CC=C(C=C4)F)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O","YHEYWIVRSHVECF-UHFFFAOYSA-N","365564",NA,"PDBC17424","633359","Present"
-"2-[1-[3-(4-Bromophenyl)-5-(2,4-dimethoxyphenyl)cyclohexa-2,5-dien-1-yl]ethylidene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[1-[3-(4-Bromophenyl)-5-(2,4-dimethoxyphenyl)cyclohexa-2,5-dien-1-yl]ethylidene]propanediamide","","CC(=C(C(=O)N)C(=O)N)C1C=C(CC(=C1)C2=C(C=C(C=C2)OC)OC)C3=CC=C(C=C3)Br","LSFKGABOUPQRNY-UHFFFAOYSA-N","392310",NA,"PDBC17425","692586","Present"
-"2-[1-[3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)phenyl]ethylidene]propanedioic acid","","","","","","","","","","","","","","","","","","","","[1-(4'-Chloro-2-hydroxy-5-thiophen-2-ylbiphenyl-3-yl)ethylidene]propanedioic acid","","CC(=C(C(=O)O)C(=O)O)C1=CC(=CC(=C1O)C2=CC=C(C=C2)Cl)C3=CC=CS3","MHCOWAJOADANEY-UHFFFAOYSA-N","392308",NA,"PDBC17426","692584","Present"
-"2-[1-[6,7-Dichloro-1-(4-chlorophenyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[1-[6,7-Dichloro-1-(4-chlorophenyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","C1=CC(=CC=C1N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O)Cl)Cl)Cl","URJIAMIKUQRSAL-UHFFFAOYSA-N","365568",NA,"PDBC17427","633363","Present"
-"2-[1-[6,7-Dichloro-1-(4-fluorophenyl)pyrazolo[3,4-b]quinolin-3-yl]-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[1-[6,7-Dichloro-1-(4-fluorophenyl)pyrazolo[3,4-b]quinolin-3-yl]-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","C1=CC(=CC=C1N2C3=C(C=C4C=C(C(=CC4=N3)Cl)Cl)C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O)F","GTDBAMZGURNIPG-UHFFFAOYSA-N","365562",NA,"PDBC17428","633357","Present"
-"2-[1-[6,7-Dimethyl-1-(p-tolyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[1-[6,7-Dimethyl-1-(4-methylphenyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","CC1=CC=C(C=C1)N2C3=NC4=C(C=C(C(=C4)C)C)N=C3C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O","RJWSYYPDBAGIIE-UHFFFAOYSA-N","365565",NA,"PDBC17429","633360","Present"
-"2-[1-[7-Chloro-1-(4-chlorophenyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[1-[7-Chloro-1-(4-chlorophenyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","C1=CC(=CC=C1N2C3=NC4=C(C=CC(=C4)Cl)N=C3C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O)Cl","POPDHEUZCWIYQA-UHFFFAOYSA-N","365570",NA,"PDBC17430","633365","Present"
-"2-[10-(Carboxymethyl)-4-oxa-1,7,10,15-tetrazabicyclo[5.5.5]heptadecan-15-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[10-(Carboxymethyl)-4-oxa-1,7,10,15-tetrazabicyclo[5.5.5]heptadecan-15-yl]acetic acid","","C1CN(CCN2CCN(CCN1CCOCC2)CC(=O)O)CC(=O)O","QCPIANIXKSUROF-UHFFFAOYSA-N","393886",NA,"PDBC17431","696846","Present"
-"2-[10-(Dicyanomethylidene)anthracen-9-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","KTPRRLOTCNWRHG-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C(=C(C#N)C#N)C3=CC=CC=C3C2=C(C#N)C#N","KTPRRLOTCNWRHG-UHFFFAOYSA-N","395931",NA,"PDBC17432","701026","Present"
-"2-[10-Methyl-5-(4-methylbenzoyl)-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[10-Methyl-5-(4-methylbenzoyl)-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid","","CC1=CC=C(C=C1)C(=O)N2C(C3=CC=CN3N(C4=CC=CC=C42)C)CC(=O)O","FANIRVVWIAOEGC-UHFFFAOYSA-N","370733",NA,"PDBC17433","644252","Present"
-"2-[10-Methyl-5-(4-nitrobenzoyl)-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[10-Methyl-5-(4-nitrobenzoyl)-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid","","CN1C2=CC=CC=C2N(C(C3=CC=CN31)CC(=O)O)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]","CVXRUIOICMNZGV-UHFFFAOYSA-N","370734",NA,"PDBC17434","644254","Present"
-"2-[10-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]decyl]benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[10-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]decyl]benzo[de]isoquinoline-1,3-dione","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","WWZXQUXNWHZLEH-VWLOTQADSA-N","403720",NA,"PDBC17435","719122","Present"
-"2-[11,19-Bis(carboxymethyl)-25,26,27-trihydroxy-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-3-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[11,19-Bis(carboxymethyl)-25,26,27-trihydroxy-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-3-yl]acetic acid","","CC1=CC2=C(C(=C1)CN(CC3=CC(=CC(=C3O)CN(CC4=C(C(=CC(=C4)C)CN(C2)CC(=O)O)O)CC(=O)O)C)CC(=O)O)O","IBZIQNDFGDQRSR-UHFFFAOYSA-N","395594",NA,"PDBC17436","700324","Present"
-"2-[11,23-Ditert-butyl-17-(2-cyano-1,3-dinaphthalen-2-ylpropan-2-yl)-25,26,27,28-tetrahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanenitrile","","","","","","","","","","","","","","","","","","","","2-[11,23-Ditert-butyl-17-(2-cyano-1,3-dinaphthalen-2-ylpropan-2-yl)-25,26,27,28-tetrahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaeny","","CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(CC6=CC7=CC=CC=C7C=C6)(CC8=CC9=CC=CC=C9C=C8)C#N)C2)O)C(C)(C)C)C(CC1=CC2=CC=CC=C2C=C1)(CC1=CC2=CC=CC=C2C=C1)C#N)O","FIWSUFFKADRUQD-UHFFFAOYSA-N","16129913",NA,"PDBC17437","676865","Present"
-"2-[11-(3-Chlorophenyl)pyrido[3,2-c][1,7]phenanthrolin-6-yl]oxy-N,N-dimethylethanamine","","","","","","","","","","","","","","","","","","","","6-(2-Dimethylaminoethyloxy)-11-(3-chlorophenyl)pyrido[3,...","","CN(C)CCOC1=NC2=C(C(=CC3=C2C=CC=N3)C4=CC(=CC=C4)Cl)C5=C1C=CC=N5","WGBPHYKVMPLHRO-UHFFFAOYSA-N","155808842",NA,"PDBC17438","788512","Present"
-"2-[13-(Carboxymethyl)-1,10,13,18-tetrazabicyclo[8.5.5]icosan-18-yl]acetic acid","","","","","","","","","","","","","","","","","","","","1,10,13,18-Tetraazabicyclo[8.5.5]eicosane-13,18-diacetic acid","","C1CCCCN2CCN(CCN(CCC1)CCN(CC2)CC(=O)O)CC(=O)O","GWOCADJLDQSWMA-UHFFFAOYSA-N","393889",NA,"PDBC17439","696849","Present"
-"2-[13-(Carboxymethyl)-4,7-dioxa-1,10,13,18-tetrazabicyclo[8.5.5]icosan-18-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[13-(Carboxymethyl)-4,7-dioxa-1,10,13,18-tetrazabicyclo[8.5.5]icosan-18-yl]acetic acid","","C1CN(CCN2CCN(CCN1CCOCCOCC2)CC(=O)O)CC(=O)O","VVPVLLICKZIOEE-UHFFFAOYSA-N","393888",NA,"PDBC17440","696848","Present"
-"2-[16-(3,4-Dimethoxyphenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaen-4-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","NSC691421///Acetonitrile, [11-(3,4-dimethoxyphenyl)-8,10-diphenyl- 8...","","COC1=C(C=C(C=C1)C2C3=C(N=CN4C3=NC(=N4)CC#N)OC5=C2C(=NN5C6=CC=CC=C6)C7=CC=CC=C7)OC","GQVFHGHBYJONTM-UHFFFAOYSA-N","391834",NA,"PDBC17441","691421///691422","Present"
-"2-[16-(Cyanomethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[16-(Cyanomethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetonitrile","","C1COCCOCCN(CCOCCOCCN1CC#N)CC#N","ATOJSDFYKAFFNY-UHFFFAOYSA-N","362520",NA,"PDBC17442","626543","Present"
-"2-[1H-Benzimidazol-2-ylsulfanyl(difluoro)methyl]-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","2-[1H-Benzimidazol-2-ylsulfanyl(difluoro)methyl]-1,3-benzoxazole","","C1=CC=C2C(=C1)NC(=N2)SC(C3=NC4=CC=CC=C4O3)(F)F","SKMRXKHMAHKSLN-UHFFFAOYSA-N","391722",NA,"PDBC17443","691262","Present"
-"2-[2,2-Bis(phenylsulfanyl)ethyl]cycloheptanone","","","","","","","","","","","","","","","","","","","","2-[2,2-Bis(phenylsulfanyl)ethyl]cycloheptanone","","C1CCC(C(=O)CC1)CC(SC2=CC=CC=C2)SC3=CC=CC=C3","QPMNNWMIOHFADR-UHFFFAOYSA-N","394589",NA,"PDBC17444","698169","Present"
-"2-[2,3-Bis(10-methyloctadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium","","","","","","","","","","","","","","","","","","","","2,3-Bis[(10-methyloctadecanoyl)oxy]propyl 2-(trimethylammonio)ethyl phosphate","","CCCCCCCCC(C)CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC(C)CCCCCCCC","LLXFJRWEHOUXFB-UHFFFAOYSA-N","361950",NA,"PDBC17445","625434","Present"
-"2-[2,3-Dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[2,3-Dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]ethanol","","CCN(CCO)CC1COC2=CC=CC=C2O1","IJVPIJBQDRDFIM-UHFFFAOYSA-N","377573",NA,"PDBC17446","659138","Present"
-"2-[2,4-Bis(3-chlorophenyl)-5-cyano-2-methyl-1,3-dihydropyridin-6-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","[4,6-Bis(3-chlorophenyl)-3-cyano-6-methyl-5,6-dihydropyridin-2(1h)-ylidene]propanedinitrile","","CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl","XMBSJVOSFHLREE-UHFFFAOYSA-N","400102",NA,"PDBC17447","711594","Present"
-"2-[2,4-Bis(3-chlorothiophen-2-yl)-5-cyano-2-methyl-1,3-dihydropyridin-6-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[4,6-Bis(3-chloro-2-thienyl)-3-cyano-6-methyl-1,5-dihydropyridin-2-ylidene]propanedinitrile","","CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=C(C=CS2)Cl)C3=C(C=CS3)Cl","LXQWWVHOFDJGTB-UHFFFAOYSA-N","397775",NA,"PDBC17448","706198","Present"
-"2-[2,4-Bis(4-chlorophenyl)-5-cyano-2-methyl-1,3-dihydropyridin-6-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","[4,6-Bis(4-chlorophenyl)-3-cyano-6-methyl-5,6-dihydropyridin-2(1h)-ylidene]propanedinitrile","","CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","RNXGXBOKBXDQKY-UHFFFAOYSA-N","400101",NA,"PDBC17449","711593","Present"
-"2-[2,6-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","2-[2,6-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)guanidine","","C1=CC(=C(C(=C1)C(F)(F)F)S(=O)(=O)N=C(N)NC2=CC=C(C=C2)Cl)C(F)(F)F","MYQLXLGLKAOCDH-UHFFFAOYSA-N","9572209",NA,"PDBC17450","707400","Present"
-"2-[2,6-Ditert-butyl-2-methyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol","","","","","","","","","","","","","","","","","","","","2-[2,6-Ditert-butyl-2-methyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol","","CC1(NC2=C(C=C(C=C2C(C(F)(F)F)(C(F)(F)F)O)C(C)(C)C)C(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C","MQCCMBMQLDYJFM-UHFFFAOYSA-N","358635",NA,"PDBC17451","618645","Present"
-"2-[2,6-Ditert-butyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol","","","","","","","","","","","","","","","","","","","","2-[2,6-Ditert-butyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol","","CC(C)(C)C1=CC2=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)O)NC(OC2(C(F)(F)F)C(F)(F)F)(C3=CC=CC=C3)C(C)(C)C","MVWZIZIAULTPQD-UHFFFAOYSA-N","358637",NA,"PDBC17452","618647","Present"
-"2-[2,6-Ditert-butyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol","","","","","","","","","","","","","","","","","","","","2-[2,6-Ditert-butyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol","","CC(C)(C)C1NC2=C(C=C(C=C2C(C(F)(F)F)(C(F)(F)F)O)C(C)(C)C)C(O1)(C(F)(F)F)C(F)(F)F","BRDSRSQOIIUZCM-UHFFFAOYSA-N","358636",NA,"PDBC17453","618646","Present"
-"2-[2-(1,2-Dibromo-1-phenylethyl)phenyl]-4,6-diphenylpyridine","","","","","","","","","","","","","","","","","","","","2-[2-(1,2-Dibromo-1-phenylethyl)phenyl]-4,6-diphenylpyridine","","C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=C3C(CBr)(C4=CC=CC=C4)Br)C5=CC=CC=C5","QDTFIRRBFJVZPO-UHFFFAOYSA-N","386207",NA,"PDBC17454","677923","Present"
-"2-[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-olate","","","","","","","","","","","","","","","","","","","","2-[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-olate","","C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=C([N+]4=C(S3)SC5=CC=CC=C54)[O-]","INBZJBYYDIOHLH-UHFFFAOYSA-N","5458770",NA,"PDBC17455","339601","Present"
-"2-[2-(1,4-Dioxo-2-naphthyl)-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-[2-(1,4-Dioxo-2-naphthyl)-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]naphthalene-1,4-dione","","CC1=C(C(=O)C(=C(C1=O)C2=CC(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C5=CC=CC=C5C4=O)C","OSWPSTPGHQHTSY-UHFFFAOYSA-N","394546",NA,"PDBC17456","698091","Present"
-"2-[2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-ethylsulfanyl]-3-phenyl-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-[2-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5","FMTCJDLLZQPOSR-UHFFFAOYSA-N","373863",NA,"PDBC17457","650826","Present"
-"2-[2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-{2,3,4,5-Tetrachloro-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1h-benzimidazole","","C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NN=C(O4)C5=CC=C(C=C5)Cl","XAQBRBPXIUGTIL-UHFFFAOYSA-N","402429",NA,"PDBC17458","716360","Present"
-"2-[2-(2,2-Dimethyl-5-oxo-1,3,2-oxazastannolidin-3-yl)ethylamino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[2-(2,2-Dimethyl-5-oxo-1,3,2-oxazastannolidin-3-yl)ethylamino]acetic acid","","","","",NA,"PDBC17459","628576","Present"
-"2-[2-(2,3-Dimethoxyphenyl)vinyl]quinoxaline","","","","","","","","","","","","","","","","","","","","AP-939/40892397","","COC1=CC=CC(=C1OC)C=CC2=NC3=CC=CC=C3N=C2","PPUVITPJPBIFED-ZHACJKMWSA-N","5883624",NA,"PDBC17460","164886","Present"
-"2-[2-(2,4,5-Trimethoxyphenyl)vinyl]quinoline","","","","","","","","","","","","","","","","","","","","AT-051/42548997","","COC1=CC(=C(C=C1C=CC2=NC3=CC=CC=C3C=C2)OC)OC","XFQVOLWSIUAMOF-PKNBQFBNSA-N","5913773",NA,"PDBC17461","158207","Present"
-"2-[2-(2,6-Dichloroanilino)phenyl]-N-(2-dimethylaminoethyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[2-(2,6-Dichloroanilino)phenyl]-N-(2-dimethylaminoethyl)acetamide","","CN(C)CCNC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl","SQERONFIZXJBGD-UHFFFAOYSA-N","375258",NA,"PDBC17462","654732","Present"
-"2-[2-(2-Benzyloxycarbonylamino-2-methyl-propionylamino)-3-phenyl-propionylamino]-2-methyl-propionic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-2-[[2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoyl]amino]propanoate","","CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)OC)NC(=O)OCC2=CC=CC=C2","KNKDUFGFOVPCBK-UHFFFAOYSA-N","382211",NA,"PDBC17463","669669","Present"
-"2-[2-(2-Cyanophenoxy)ethoxy]benzonitrile","","","","","","","","","","","","","","","","","","","","2,2'-(Ethylenebisoxy)bisbenzonitrile","","C1=CC=C(C(=C1)C#N)OCCOC2=CC=CC=C2C#N","RTIPBRFNTQQVDU-UHFFFAOYSA-N","394577",NA,"PDBC17464","698146","Present"
-"2-[2-(2-Heptadecylimidazol-1-yl)ethoxy]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-(2-Heptadecyl-1h-imidazol-1-yl)ethoxy]ethanol","","CCCCCCCCCCCCCCCCCC1=NC=CN1CCOCCO","ZCMBVRYSEVZTPH-UHFFFAOYSA-N","229491",NA,"PDBC17465","23216","Present"
-"2-[2-(2-Hydroxyethyl)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide","","","","","","","","","","","","","","","","","","","","2-[2-(2-Hydroxyethyl)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide","","COC1=CC=CC(=C1)CCNC(=O)CC2=CC=CC=C2CCO","MZTCGLSCCGRNHZ-UHFFFAOYSA-N","390007",NA,"PDBC17466","686930","Present"
-"2-[2-(2-Methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one","","","","","","","","","","","","","","","","","","","","NSC780290///NSC780291","","CC1CC2=CC=CC=C2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4","UAXHPOBBKRWJGA-UHFFFAOYSA-N","136264282",NA,"PDBC17467","780290///780291","Present"
-"2-[2-(2-Methylbenzimidazol-1-yl)ethyl]-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","1-[2-(1,3-Benzothiazol-2-yl)ethyl]-2-methyl-benzimidazole","","CC1=NC2=CC=CC=C2N1CCC3=NC4=CC=CC=C4S3","BTXKCNHBCFROQF-UHFFFAOYSA-N","396634",NA,"PDBC17468","703133","Present"
-"2-[2-(2-Oxo-2-phenylethyl)(4-hydropyridino[3,2-e]pyrazin-3-ylidene)]-1-phenyle than-1-one","","","","","","","","","","","","","","","","","","","","2-[3-[(Z)-2-Hydroxy-2-phenylethenyl]pyrido[2,3-b]pyrazin-2-yl]-1-phenylethanone","","C1=CC=C(C=C1)C(=O)CC2=NC3=C(N=CC=C3)N=C2C=C(C4=CC=CC=C4)O","KZLNVGUPLUTQFT-JCMHNJIXSA-N","135426820",NA,"PDBC17469","720431","Present"
-"2-[2-(2-Pyridylmethyl)-1,3-dioxolan-2-yl]-1H-indole","","","","","","","","","","","","","","","","","","","","2-[2-(Pyridin-2-ylmethyl)-1,3-dioxolan-2-yl]-1H-indole","","C1COC(O1)(CC2=CC=CC=N2)C3=CC4=CC=CC=C4N3","IENHJUPAHKRBGX-UHFFFAOYSA-N","392296",NA,"PDBC17470","692429","Present"
-"2-[2-(2-Thiazolylamino)ethyl]-3,6-trichloro-1,4-benzoquino ne","","","","","","","","","","","","","","","","","","","","2-[2-(2-thiazolylamino)ethyl]-3,5,6-trichloro-1,4-benzoq...","","C1=CSC(=N1)NCCC2=C(C(=O)C(=C(C2=O)Cl)Cl)Cl","FRTLDDVGRABWTO-UHFFFAOYSA-N","406196",NA,"PDBC17471","724209","Present"
-"2-[2-(3,4,5-Trimethoxy-phenyl)-vinyl]-pyridine","","","","","","","","","","","","","","","","","","","","2-[2-(3,4,5-Trimethoxy-phenyl)-vinyl]-pyridine","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=CC=N2","XUXIXPBKILBJGB-BQYQJAHWSA-N","5905112",NA,"PDBC17472","166683","Present"
-"2-[2-(3,4-Dimethoxyphenyl)vinyl]quinoxaline","","","","","","","","","","","","","","","","","","","","AP-939/40892395","","COC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3N=C2)OC","FNOLUOKAPMSWQC-VQHVLOKHSA-N","5876917",NA,"PDBC17473","164887","Present"
-"2-[2-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-2-ylimidazol-4-yl]pyridine","","","","","","","","","","","","","","","","","","","","2,2'-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-1-isobutyl-...","","CC(C)CN1C(=C(N=C1C2=CC(=C(C=C2)OC)OC3CCCC3)C4=CC=CC=N4)C5=CC=CC=N5","WTLKBHGVEVFDPO-UHFFFAOYSA-N","101887363",NA,"PDBC17474","771432","Present"
-"2-[2-(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)hydrazino]-2-oxo-N-(2,4,5-trichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[2-(4-Amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinyl]-2-oxo-N-(2,4,5-trichlorophenyl)acetamide","","C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)C(=O)NNC2=NNC(=S)N2N","ZBZKEGGVPINDJB-UHFFFAOYSA-N","3000683",NA,"PDBC17475","644793","Present"
-"2-[2-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)ethylidene]propane-1,3-diol","","","","","","","","","","","","","","","","","","","","2-[2-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)ethylidene]propane-1,3-diol","","C1=CN(C2=NC=NC(=C21)N)CC=C(CO)CO","OQSUHIUZWBMNIN-UHFFFAOYSA-N","395242",NA,"PDBC17476","699718","Present"
-"2-[2-(4-Chloro-2-methylanilino)-4-oxo-1,3-thiazol-5-yl]-N-(2,3-dimethylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,3-dimethylphenyl)acetamide","","CC1=C(C(=CC=C1)NC(=O)CC2C(=O)NC(=NC3=C(C=C(C=C3)Cl)C)S2)C","FGPYOZLLFBGZHI-UHFFFAOYSA-N","135480970",NA,"PDBC17477","632243","Present"
-"2-[2-(4-Chlorobenzoyl)-4,5-bis(4-chlorophenyl)imidazol-1-yl]-1-phenylethanone","","","","","","","","","","","","","","","","","","","","2-[2-(4-Chlorobenzoyl)-4,5-bis(4-chlorophenyl)imidazol-1-yl]-1-phenylethanone","","C1=CC=C(C=C1)C(=O)CN2C(=C(N=C2C(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","JDOPLGGGXHEGHA-UHFFFAOYSA-N","45027988",NA,"PDBC17478","740496","Present"
-"2-[2-(4-Chlorobenzoyl)-4,5-diphenylimidazol-1-yl]-1-(4-chlorophenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-[2-(4-Chlorobenzoyl)-4,5-diphenylimidazol-1-yl]-1-(4-chlorophenyl)ethanone","","C1=CC=C(C=C1)C2=C(N(C(=N2)C(=O)C3=CC=C(C=C3)Cl)CC(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5","QIZHNRFZNWFHIL-UHFFFAOYSA-N","45027992",NA,"PDBC17479","740500","Present"
-"2-[2-(4-Chlorobenzoyl)-4,5-diphenylimidazol-1-yl]-1-(4-methoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-[2-(4-Chlorobenzoyl)-4,5-diphenylimidazol-1-yl]-1-(4-methoxyphenyl)ethanone","","COC1=CC=C(C=C1)C(=O)CN2C(=C(N=C2C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5","BTNHVXGCBQGUPH-UHFFFAOYSA-N","45027991",NA,"PDBC17480","740499","Present"
-"2-[2-(4-Chlorobenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-[2-(4-Chlorobenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone","","COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)Cl","MCYUTFUFCIUNTB-UHFFFAOYSA-N","45029097",NA,"PDBC17481","745455","Present"
-"2-[2-(4-Chlorophenyl)-3-ethyl-3-methyl-1H-1,2,4-triazol-5-yl]pyrazine","","","","","","","","","","","","","","","","","","","","2-[2-(4-Chlorophenyl)-3-ethyl-3-methyl-1H-1,2,4-triazol-5-yl]pyrazine","","CCC1(N=C(NN1C2=CC=C(C=C2)Cl)C3=NC=CN=C3)C","VICDSXJRDZDORS-UHFFFAOYSA-N","398871",NA,"PDBC17482","709092","Present"
-"2-[2-(4-Chlorophenyl)ethenyl]quinoline","","","","","","","","","","","","","","","","","","","","NSC3265","","C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC=C(C=C3)Cl","PWZHLFSCFYMSMR-YRNVUSSQSA-N","5377682",NA,"PDBC17483","3265","Present"
-"2-[2-(4-Chlorophenyl)sulfinylphenyl]-4,5-dihydro-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-[2-(4-Chlorophenyl)sulfinylphenyl]-4,5-dihydro-1H-imidazole","","C1CN=C(N1)C2=CC=CC=C2S(=O)C3=CC=C(C=C3)Cl","NILVJUUDIKEUJO-UHFFFAOYSA-N","388683",NA,"PDBC17484","683708","Present"
-"2-[2-(4-Chlorophenyl)sulfonylphenyl]-4,5-dihydro-1H-imidazole","","","","","","","","","","","","","","","","","","","","2-[2-(4-Chlorophenyl)sulfonylphenyl]-4,5-dihydro-1H-imidazole","","C1CN=C(N1)C2=CC=CC=C2S(=O)(=O)C3=CC=C(C=C3)Cl","UXAOKZIATKFSSX-UHFFFAOYSA-N","388684",NA,"PDBC17485","683709","Present"
-"2-[2-(4-Methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-[2-(4-Methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone","","COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)OC","UTNYBTYLRXMDCJ-UHFFFAOYSA-N","45029094",NA,"PDBC17486","745452","Present"
-"2-[2-(4-Methylphenoxy)quinolin-3-yl]-5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","3-[5-(2-Phenoxymethyl-benzoimidazol-1-ylmethyl)-[1,3,4]o...","","CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3C=C2C4=NN=C(O4)CN5C6=CC=CC=C6N=C5COC7=CC=CC=C7","ZWSIUTMJLXPNFB-UHFFFAOYSA-N","155812876",NA,"PDBC17487","776971","Present"
-"2-[2-(4-Methylphenyl)-2-oxoethylidene]-1,4-dihydropyridino[3,2-b]pyrazin-3-one","","","","","","","","","","","","","","","","","","","","2-[2-(4-Methylphenyl)-2-oxoethylidene]-1,4-dihydropyridino[3,2-b]pyrazin-3-one","","CC1=CC=C(C=C1)C(=CC2=NC3=C(NC2=O)N=CC=C3)O","SEMNYBTXZUWGMC-ZROIWOOFSA-N","135426821",NA,"PDBC17488","720441","Present"
-"2-[2-(4-Phenylpiperazin-1-yl)ethyl]-1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","2-[2-(4-Phenylpiperazin-1-yl)ethyl]-1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCN5CCN(CC5)C6=CC=CC=C6","ZYQYXIGIRBGVPH-UHFFFAOYSA-N","365601",NA,"PDBC17489","633402","Present"
-"2-[2-(5-Bromo-2,6,6-trimethyloxan-2-yl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-6-(2-hydroxy-3-methoxy-4-methylpent-4-enyl)-2,6-dimethyloxan-4-ol","","","","","","","","","","","","","","","","","","","","2-[2-(5-Bromo-2,6,6-trimethyloxan-2-yl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-6-(2-hydroxy-3-methoxy-4-methylpent-4-enyl)-2,6-dimethyloxan-4-ol","","CC(=C)C(C(CC1(CC(CC(O1)(C)C2CCC3C(O2)(CCC(O3)C4(CCC(C(O4)(C)C)Br)C)C)O)C)O)OC","YPKLZEROPGNXPU-UHFFFAOYSA-N","24202892",NA,"PDBC17490","726178","Present"
-"2-[2-(6-Chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)hydrazinyl]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-(6-Chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)hydrazinyl]ethanol","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNCCO","HBYYFGPEYLDAIU-UHFFFAOYSA-N","393941",NA,"PDBC17491","696913","Present"
-"2-[2-(6-Quinolinylamino)ethyl]-3,6-trichlorohydroq1uinone","","","","","","","","","","","","","","","","","","","","2-[2-(6-quinolinylamino)ethyl]-3,5,6-trichlorohydroq1uinone","","C1=CC2=C(C=CC(=C2)NCCC3=C(C(=C(C(=C3Cl)O)Cl)Cl)O)N=C1","OZTKLPASWCWPSH-UHFFFAOYSA-N","406197",NA,"PDBC17492","724210","Present"
-"2-[2-(Aziridin-1-yl)ethoxy]quinoline","","","","","","","","","","","","","","","","","","","","2-[2-(Aziridin-1-yl)ethoxy]quinoline","","C1CN1CCOC2=NC3=CC=CC=C3C=C2","AREVUFJFOXNHIR-UHFFFAOYSA-N","268715",NA,"PDBC17493","109084","Present"
-"2-[2-(Aziridin-1-yl)ethyliminomethyl]phenolate;manganese(3+);perchloric acid","","","","","","","","","","","","","","","","","","","","2-[2-(Aziridin-1-yl)ethyliminomethyl]phenolate;manganese(3+);perchloric acid","","C1CN1CCN=CC2=CC=CC=C2[O-].C1CN1CCN=CC2=CC=CC=C2[O-].OCl(=O)(=O)=O.[Mn+3]","WAVQZOJSDCUNDS-UHFFFAOYSA-L","54607439",NA,"PDBC17494","290069","Present"
-"2-[2-(Azocan-1-yl)ethyl]-1-hydroxyguanidine;oxalic acid","","","","","","","","","","","","","","","","","","","","2-[2-(Azocan-1-yl)ethyl]-1-hydroxyguanidine;oxalic acid","","C1CCCN(CCC1)CCN=C(N)NO.C(=O)(C(=O)O)O","FSBJFJNRICHHQR-UHFFFAOYSA-N","379733",NA,"PDBC17495","664708","Present"
-"2-[2-(Benzotriazol-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine","","","","","","","","","","","","","","","","","","","","2-[2-(Benzotriazol-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine","","CN(C)CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CN3C4=CC=CC=C4N=N3","XXKHESZSVGQLLD-UHFFFAOYSA-N","397761",NA,"PDBC17496","706183","Present"
-"2-[2-(Benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine","","","","","","","","","","","","","","","","","","","","2-[2-(Benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine","","CN(C)CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CN3N=C4C=CC=CC4=N3","CHDHEQVOFUWVJH-UHFFFAOYSA-N","397758",NA,"PDBC17497","706180","Present"
-"2-[2-(Benzotriazol-2-ylmethyl)-5-chlorobenzimidazol-1-yl]-N,N-dimethylethanamine","","","","","","","","","","","","","","","","","","","","2-[2-(Benzotriazol-2-ylmethyl)-5-chlorobenzimidazol-1-yl]-N,N-dimethylethanamine","","CN(C)CCN1C2=C(C=C(C=C2)Cl)N=C1CN3N=C4C=CC=CC4=N3","CQAAPGZAWFWTIV-UHFFFAOYSA-N","397759",NA,"PDBC17498","706181","Present"
-"2-[2-(Benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[2-(Benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid","","C1=CC=C(C=C1)C(=O)OCC2=NC3=C(S2)C=C(C=C3)CC(=O)O","IGMOJYYAWGVZIS-UHFFFAOYSA-N","396475",NA,"PDBC17499","702652","Present"
-"2-[2-(Carboxylatomethyl-(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetate; mercury(+2) cation","","","","","","","","","","","","","","","","","","","","2-[2-(Carboxylatomethyl-(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetate; mercury(+2) cation","","C1CN(CC(=O)O[Hg]OC(=O)CN1CC(=O)O)CC(=O)O","HLPPLCMMZDXCQN-UHFFFAOYSA-L","16683706",NA,"PDBC17500","97345","Present"
-"2-[2-(Chloromethyl)-4,7-dimethoxy-1-methylbenzimidazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine","","","","","","","","","","","","","","","","","","","","2-[2-(Chloromethyl)-4,7-dimethoxy-1-methylbenzimidazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine","","CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4OC)N=C(N5C)CCl)OC","VHJOJRXOADTDKN-UHFFFAOYSA-N","6712702",NA,"PDBC17501","706840","Present"
-"2-[2-(Diaminomethylidene)hydrazinyl]-2-oxoacetic acid","","","","","","","","","","","","","","","","","","","","OXALYL MONOGUANYLHYDRAZIDE","","C(=O)(C(=O)O)NN=C(N)N","MZTBSNRMAPZWRT-UHFFFAOYSA-N","255800",NA,"PDBC17502","81670","Present"
-"2-[2-(Diaminomethylideneamino)ethyl]guanidine; sulfuric acid","","","","","","","","","","","","","","","","","","","","n-(2-guanidinoethyl)guanidine sulfate","","C(CN=C(N)N)N=C(N)N.OS(=O)(=O)O","NPQKICOQQSIGIQ-UHFFFAOYSA-N","227312",NA,"PDBC17503","18807","Present"
-"2-[2-(Diethoxyphosphorylmethoxy)ethyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","2-[2-(Diethoxyphosphorylmethoxy)ethyl]-1,2,4-triazine-3,5-dione","","CCOP(=O)(COCCN1C(=O)NC(=O)C=N1)OCC","ABOHDBGEFFGUHI-UHFFFAOYSA-N","386541",NA,"PDBC17504","678973","Present"
-"2-[2-(Diethylamino)ethyl]-4,11-dimethyl-[1,4]benzodioxino[2,3-f]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(2-Diethylaminoethyl)-4,11-dimethyl-[1,4]benzodioxino[3,2-f]isoindole-1,3-dione","","CCN(CC)CCN1C(=O)C2=C(C3=C(C(=C2C1=O)C)OC4=CC=CC=C4O3)C","OQDGXVGEKPCJDB-UHFFFAOYSA-N","391051",NA,"PDBC17505","689583","Present"
-"2-[2-(Diethylamino)ethyl]-4,9-diphenylbenzo[f]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(2-Diethylaminoethyl)-4,9-diphenyl-benzo[f]isoindole-1,3-dione","","CCN(CC)CCN1C(=O)C2=C(C3=CC=CC=C3C(=C2C1=O)C4=CC=CC=C4)C5=CC=CC=C5","AIVOXNTUBIXQPO-UHFFFAOYSA-N","391052",NA,"PDBC17506","689584","Present"
-"2-[2-(Diethylamino)ethyl]ellipticinium bromide hemihydrobromide","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazolium, 2-[2-(diethylamino)ethyl]-5...","","CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.Br.[Br-]","JBKJTXLCDTVQCY-UHFFFAOYSA-N","54600648",NA,"PDBC17507","353076","Present"
-"2-[2-(Dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[2-(Dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride","","CN(C)CCNC1=C(C=C2C3=C1C=CC=C3C(=O)N(C2=O)CCN(C)C)[N+](=O)[O-].Cl","IHDBZYAJKCATMZ-UHFFFAOYSA-N","361126",NA,"PDBC17508","623954","Present"
-"2-[2-(Hydrazinecarbonyl)anilino]benzohydrazide","","","","","","","","","","","","","","","","","","","","2-[[2-(Hydrazinecarbonyl)phenyl]amino]benzohydrazide","","C1=CC=C(C(=C1)C(=O)NN)NC2=CC=CC=C2C(=O)NN","XHQJLKFFZZETDA-UHFFFAOYSA-N","397347",NA,"PDBC17509","704957","Present"
-"2-[2-(Hydroxymethyl)phenyl]-N-[3-(3-methoxyphenyl)propyl]acetamide","","","","","","","","","","","","","","","","","","","","2-[2-(Hydroxymethyl)phenyl]-N-[3-(3-methoxyphenyl)propyl]acetamide","","COC1=CC=CC(=C1)CCCNC(=O)CC2=CC=CC=C2CO","QHULFUNPKUQRED-UHFFFAOYSA-N","390038",NA,"PDBC17510","686952","Present"
-"2-[2-(Methylamino)phenyl]-3,1-benzoxazin-4-one","","","","","","","","","","","","","","","","","","","","2-[2-(Methylamino)phenyl]-4H-3,1-benzoxazin-4-one","","CNC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)O2","DSZYWOKARLCKMH-UHFFFAOYSA-N","363775",NA,"PDBC17511","628987","Present"
-"2-[2-(Pyridin-3-ylmethyl)-1,3-dioxolan-2-yl]-1H-indole","","","","","","","","","","","","","","","","","","","","2-[2-(3-Pyridylmethyl)-1,3-dioxolan-2-yl]-1h-indole","","C1COC(O1)(CC2=CN=CC=C2)C3=CC4=CC=CC=C4N3","BKQMDHJVFYCXRD-UHFFFAOYSA-N","393307",NA,"PDBC17512","694972","Present"
-"2-[2-([1]Benzofuro[2,3-b]quinolin-11-ylamino)ethylamino]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-([1]Benzofuro[2,3-b]quinolin-11-ylamino)ethylamino]ethanol","","C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4OC3=N2)NCCNCCO","IAKFMHMASZSIJH-UHFFFAOYSA-N","24205998",NA,"PDBC17513","737619","Present"
-"2-[2-Amino-1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","2-[5-amino-1-(3-chlorophenyl)-3-oxo-2,3-dihydro-1H-4-pyr...","","C1C(=C(C(=N)N1C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4C(=O)N3)O","KANBZOJTVSUFEE-UHFFFAOYSA-N","135456438",NA,"PDBC17514","727826","Present"
-"2-[2-Amino-4-(4-methoxyphenyl)-4,5-dihydropyrimidin-6-yl]-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-[2-Amino-4-(4-methoxyphenyl)-4,5-dihydropyrimidin-6-yl]-4-methylphenol","","CC1=CC(=C(C=C1)O)C2=NC(=NC(C2)C3=CC=C(C=C3)OC)N","ONQNMOIDZUDAEZ-UHFFFAOYSA-N","359842",NA,"PDBC17515","621452","Present"
-"2-[2-Amino-5-(morpholinomethyl)pyrimidin-4-yl]phenol","","","","","","","","","","","","","","","","","","","","2-[2-Amino-5-[morpholinomethyl]pyrimidin-4-yl]phenol","","C1COCCN1CC2=CN=C(N=C2C3=CC=CC=C3O)N","DYKFYRAALGIZBI-UHFFFAOYSA-N","380514",NA,"PDBC17516","666128","Present"
-"2-[2-Amino-5-[pyrrolizinomethyl]pyrimidin-4-yl]phenol","","","","","","","","","","","","","","","","","","","","2-[2-Amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]phenol","","C1CCN(C1)CC2=CN=C(N=C2C3=CC=CC=C3O)N","WIOYSURTIDCEFA-UHFFFAOYSA-N","358187",NA,"PDBC17517","618063","Present"
-"2-[2-Amino-5-chloro-6-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-[2-Amino-5-chloro-6-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylphenol","","CC1=CC(=C(C=C1)O)C2=NC(=NC(=C2Cl)C3=CC=C(C=C3)OC)N","JKPCNFGIHMUCNW-UHFFFAOYSA-N","359839",NA,"PDBC17518","621448","Present"
-"2-[2-Amino-6-(3-bromophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-[2-Amino-6-(3-bromophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol","","CC1=CC(=C(C=C1)O)C2=CC(SC(=N2)N)C3=CC(=CC=C3)Br","NCAQKHRHTGXMBM-UHFFFAOYSA-N","403656",NA,"PDBC17519","718724","Present"
-"2-[2-Amino-6-(3-chlorophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-[2-Amino-6-(3-chlorophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol","","CC1=CC(=C(C=C1)O)C2=CC(SC(=N2)N)C3=CC(=CC=C3)Cl","NXGOEMTUVIHSQX-UHFFFAOYSA-N","403645",NA,"PDBC17520","718713","Present"
-"2-[2-Amino-6-(4-methylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-[2-Amino-6-(4-methylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","CC1=CC=C(C=C1)NC2=C3C(=NC(=N2)N)N(C=N3)C4C(C(C(O4)CO)O)O","VQITYXMXZZEURX-UHFFFAOYSA-N","433306",NA,"PDBC17521","327926","Present"
-"2-[2-Amino-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","9H-Purin-2-amine, 6-[(7-nitro-4-benzofurazanyl)thio]-9-D...","","C1=C(C2=NON=C2C(=C1)SC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)N)[N+](=O)[O-]","KPNFSARMBBISMK-UHFFFAOYSA-N","335945",NA,"PDBC17522","348400","Present"
-"2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-(4-chlorophenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-(4-chlorophenyl)ethanone","","COC1=CC=C(C=C1)C2=C(N(C(=N2)C(=O)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC","OLBFSDLZXDNLTC-UHFFFAOYSA-N","45027995",NA,"PDBC17523","740503","Present"
-"2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-(4-methoxyphenyl)ethanone","","","","","","","","","","","","","","","","","","","","2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-(4-methoxyphenyl)ethanone","","COC1=CC=C(C=C1)C2=C(N(C(=N2)C(=O)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC","FPZKKDITHPOLKG-UHFFFAOYSA-N","45027994",NA,"PDBC17524","740502","Present"
-"2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-phenylethanone","","","","","","","","","","","","","","","","","","","","2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-phenylethanone","","COC1=CC=C(C=C1)C2=C(N(C(=N2)C(=O)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC","KWEKVWYEFHOBEI-UHFFFAOYSA-N","45027987",NA,"PDBC17525","740495","Present"
-"2-[2-Bromo-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole","","","","","","","","","","","","","","","","","","","","1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)-2-bromobenzene","","CC1(COC(=N1)C2=C(C(=CC=C2)C3=NC(CO3)(C)C)Br)C","HVVHHHIVAXYPRB-UHFFFAOYSA-N","395336",NA,"PDBC17526","699818","Present"
-"2-[2-Bromo-3-(cyanomethyl)phenyl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[2-Bromo-3-(cyanomethyl)phenyl]acetonitrile","","C1=CC(=C(C(=C1)CC#N)Br)CC#N","BOPUVURABONJSQ-UHFFFAOYSA-N","358336",NA,"PDBC17527","618301","Present"
-"2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-ylethanone;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 4-[[2-chloro-4-(4,6-dia...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)Cl)N)N)C","WYHMGODFDCDBHZ-UHFFFAOYSA-N","284536",NA,"PDBC17528","140380","Present"
-"2-[2-Chloro-4-(4-chlorobenzoyl)phenoxy]-2-methyl-1-(4-phenylpiperazin-1-yl)propan-1-one","","","","","","","","","","","","","","","","","","","","2-[2-Chloro-4-(4-chlorobenzoyl)phenoxy]-2-methyl-1-(4-phenylpiperazin-1-yl)propan-1-one","","CC(C)(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)Cl","WPVVUFKHKNQYRL-UHFFFAOYSA-N","375238",NA,"PDBC17529","654627","Present"
-"2-[2-Ethyl(3,4-dimethoxyphenyl)amino]methyl]3-phenyl-7-trifl uoromethylquinoxaline","","","","","","","","","","","","","","","","","","","","2-[2-ethyl(3,4-dimethoxyphenyl)amino]methyl]3-phenyl-7-t...","","CCN(CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC","AKZDCXDJASVSLK-UHFFFAOYSA-N","24204808",NA,"PDBC17530","732995","Present"
-"2-[2-Furfuryl-5)p-phenylene] benzothiazole","","","","","","","","","","","","","","","","","","","","2-[2 - furfuryl - 5)p-phenylene] benzothiazole","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(O4)C=O","KIJNXIZDJRSHRB-UHFFFAOYSA-N","24203185",NA,"PDBC17531","727091","Present"
-"2-[2-Hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-2-yl)propyl]-4,6-dimethyl-5-butylpyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione","","","","","","","","","","","","","","","","","","","","2-Butyl-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-dimethylpyrrolo[3,4-c]pyrrole-4,6-dione","","CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CC(CN3CCC4=CC=CC=C4C3)O)C","BABRJAPXMIIIDA-UHFFFAOYSA-N","401047",NA,"PDBC17532","713752","Present"
-"2-[2-Hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[2-Hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetic acid","","C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)CC(=O)O)O","QHSMPUSHIPJPCX-UHFFFAOYSA-N","403175",NA,"PDBC17533","717828","Present"
-"2-[2-Hydroxy-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","2-[2-Hydroxy-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one","","CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCN(CC3)CCOCCO)O)C","RVADDVIDKKPOOW-UHFFFAOYSA-N","401088",NA,"PDBC17534","713911","Present"
-"2-[2-Hydroxyethyl-(2-methyltriazolo[4,5-f]quinolin-9-yl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-Hydroxyethyl-(2-methyltriazolo[4,5-f]quinolin-9-yl)amino]ethanol","","CN1N=C2C=CC3=NC=CC(=C3C2=N1)N(CCO)CCO","FQMWTXIYCFEXTQ-UHFFFAOYSA-N","374503",NA,"PDBC17535","652254","Present"
-"2-[2-Hydroxyethyl-(2-nitrothiazol-5-yl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-Hydroxyethyl-(2-nitrothiazol-5-yl)amino]ethanol","","C1=C(SC(=N1)[N+](=O)[O-])N(CCO)CCO","VHRGELKGXFYPME-UHFFFAOYSA-N","380954",NA,"PDBC17536","666737","Present"
-"2-[2-Hydroxyethyl-(3-methyl-2-nitroimidazol-4-yl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-Hydroxyethyl-(3-methyl-2-nitro-imidazol-4-yl)amino]ethanol","","CN1C(=CN=C1[N+](=O)[O-])N(CCO)CCO","FYOYJIVAJINMGA-UHFFFAOYSA-N","388358",NA,"PDBC17537","683251","Present"
-"2-[2-Hydroxyethyl-(3-methyltriazolo[4,5-f]quinolin-9-yl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-Hydroxyethyl-(3-methylpyrido[3,2-e]benzotriazol-9-yl)amino]ethanol","","CN1C2=C(C3=C(C=CN=C3C=C2)N(CCO)CCO)N=N1","BSUHOOYAQARNCK-UHFFFAOYSA-N","387990",NA,"PDBC17538","682355","Present"
-"2-[2-Hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-Hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol","","CCOC1=C(C(=C2C(=C1)C(=NC=N2)NCCCN(CCO)CCO)OCC)OCC","MMZXVKQSUKESED-UHFFFAOYSA-N","330472",NA,"PDBC17539","319078","Present"
-"2-[2-Methyl-5'-(methoxycarbonyl)spiro[acridine-9(10H),4'-thiazolidine]-2'-ylidene]malonic acid diethyl ester","","","","","","","","","","","","","","","","","","","","Diethyl 2-(5-methoxycarbonyl-2'-methylspiro[1,3-thiazolidine-4,9'-10H-acridine]-2-ylidene)propanedioate","","CCOC(=O)C(=C1NC2(C(S1)C(=O)OC)C3=CC=CC=C3NC4=C2C=C(C=C4)C)C(=O)OCC","GPPZZMJJQUQFNB-UHFFFAOYSA-N","402484",NA,"PDBC17540","716510","Present"
-"2-[2-Methyl-5'-cyanospiro[acridine-9(10H),4'-thiazolidine]-2'-ylidene]malonic acid diethyl ester","","","","","","","","","","","","","","","","","","","","Diethyl 2-(5-cyano-2'-methylspiro[1,3-thiazolidine-4,9'-10H-acridine]-2-ylidene)propanedioate","","CCOC(=O)C(=C1NC2(C(S1)C#N)C3=CC=CC=C3NC4=C2C=C(C=C4)C)C(=O)OCC","GWJMGQDNCMFHJX-UHFFFAOYSA-N","399778",NA,"PDBC17541","710873","Present"
-"2-[2-Oxo-1-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-yl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[2-Oxo-1-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-yl]isoindole-1,3-dione","","C1C(C(=O)N1C(COCC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O","YKAUIGFOPMAXRQ-UHFFFAOYSA-N","357698",NA,"PDBC17542","617215","Present"
-"2-[2-[(1-Nitroacridin-9-yl)amino]ethylamino]ethanol","","","","","","","","","","","","","","","","","","","","9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-1-nitro-","","C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCNCCO","WWCHZSZUXCSNOQ-UHFFFAOYSA-N","384246",NA,"PDBC17543","673792","Present"
-"2-[2-[(2-Aminoacetyl)amino]-4,5-dichlorophenyl]-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[2-[(2-Aminoacetyl)amino]-4,5-dichlorophenyl]-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride","","CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3NC(=O)CN)Cl)Cl.Cl","NJUWDORJDQDWRA-HLRBRJAUSA-N","54608500",NA,"PDBC17544","708864","Present"
-"2-[2-[(2-Methoxyacridin-9-yl)amino]ethylamino]ethanol","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[(2-[(2-methoxy-9-acridinyl)amino]ethyl)amino...","","COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCNCCO.Cl","DNXHYKAEDGGTER-UHFFFAOYSA-N","24181963",NA,"PDBC17545","13006","Present"
-"2-[2-[(2-Methyltriazolo[4,5-f]quinolin-9-yl)amino]ethylamino]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-[(2-Methyltriazolo[4,5-f]quinolin-9-yl)amino]ethylamino]ethanol","","CN1N=C2C=CC3=NC=CC(=C3C2=N1)NCCNCCO","KVVWVJGBVICQAT-UHFFFAOYSA-N","371632",NA,"PDBC17546","646033","Present"
-"2-[2-[(6-Amino-9H-purin-3-ium-3-yl)methyl]phenyl]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-[(6-Amino-9H-purin-3-ium-3-yl)methyl]phenyl]ethanol","","C1=CC=C(C(=C1)CCO)C[N+]2=C3C(=C(N=C2)N)NC=N3","JRSRPUYPVNASML-UHFFFAOYSA-O","495103",NA,"PDBC17547","644202","Present"
-"2-[2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]ethylamino]cyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-[2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]ethylamino]cyclohepta-2,4,6-trien-1-one","","C1=CC=C(C(=O)C=C1)NCCNC2=CC=CC=CC2=O","XFZGOJUYBCRQAU-UHFFFAOYSA-N","358329",NA,"PDBC17548","618293","Present"
-"2-[2-[(E)-(5-Ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxidanylidene-N-[3-(trifluoromethyl)phenyl]ethanamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide","","CCOC1=CC=CC(=C1O)C=NNC(=O)C(=O)NC2=CC=CC(=C2)C(F)(F)F","NNZVOPPZPAAXRN-LSHDLFTRSA-N","135452594",NA,"PDBC17549","329055","Present"
-"2-[2-[(E)-2-(1,2-Benzoxazol-3-yl)ethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[2-[(E)-2-(1,2-Benzoxazol-3-yl)ethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride","","CCN(CC)CCOC1=CC=CC=C1C=CC2=NOC3=CC=CC=C32.Cl","YTWAOZUBPSXNBP-IERUDJENSA-N","5351338",NA,"PDBC17550","601101","Present"
-"2-[2-[(E)-2-(4-Butoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride","","","","","","","","","","","","","","","","","","","","2-[2-[(E)-2-(4-Butoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride","","CCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCO.[Cl-]","RIHWAEUQSSIJTG-MLBSPLJJSA-M","5469688",NA,"PDBC17551","691430","Present"
-"2-[2-[(E)-2-(4-Octoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride","","","","","","","","","","","","","","","","","","","","2-[2-[(E)-2-(4-Octoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride","","CCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCO.[Cl-]","KVHWYFMFNHKJAY-RSGUCCNWSA-M","5469690",NA,"PDBC17552","691431","Present"
-"2-[2-[(E)-2-(4-Propoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride","","","","","","","","","","","","","","","","","","","","2-[2-[(E)-2-(4-Propoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride","","CCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCO.[Cl-]","VLQBBKAXWQPQQC-HAAWTFQLSA-M","5469686",NA,"PDBC17553","691429","Present"
-"2-[2-[(E)-Dimethylaminomethyleneamino]-6-hydroxy-purin-7-yl]ethyl benzoate","","","","","","","","","","","","","","","","","","","","2-[2-[(E)-Dimethylaminomethyleneamino]-6-hydroxy-purin-7-yl]ethyl benzoate","","CN(C)C=NC1=NC2=C(C(=O)N1)N(C=N2)CCOC(=O)C3=CC=CC=C3","QSCVYADRNBIJBE-VXLYETTFSA-N","135510131",NA,"PDBC17554","637524","Present"
-"2-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]-2-methylpropan-1-ol","","","","","","","","","","","","","","","","","","","","2-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]-2-methylpropan-1-ol","","CCCCCCCCC=CCCCCCCCC1=NC(CN1C(C)(C)CO)(C)C","AQHHRCQYBCLIPO-BUHFOSPRSA-N","5354711",NA,"PDBC17555","17763","Present"
-"2-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]ethanol","","CCCCCCCCC=CCCCCCCCC1=NC(CN1CCO)(C)C","SSKYOXIHQFQZRW-VAWYXSNFSA-N","5354709",NA,"PDBC17556","17755","Present"
-"2-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCOC5C(C(C(C(O5)CO)O)O)O","RYUOAQSYRBKSLR-OVVQPSECSA-N","135436306",NA,"PDBC17557","717859","Present"
-"2-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]oxane-3,4,5-triol","","C1C(C(C(C(O1)OCCON=C2C3=CC=CC=C3N=C2C4=C(NC5=CC=CC=C54)O)O)O)O","HSEAEWLMKXVJFL-NLRVBDNBSA-N","135436307",NA,"PDBC17558","717860","Present"
-"2-[2-[(N,N-Diethylamino)thiocarbamoylthio]hexanoylamino]thia zole","","","","","","","","","","","","","","","","","","","","2-[2-[(N,N-diethylamino)thiocarbamoylthio]hexanoylamino]...","","CCCCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC(=S)N(CC)CC","LVVIXBQFWYVYMN-UHFFFAOYSA-N","24205695",NA,"PDBC17559","736391","Present"
-"2-[2-[(Z)-1-Benzamido-2-(2-hydroxyphenyl)vinyl]-5-oxo-oxazolidin-4-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[2-[(Z)-1-Benzamido-2-(2-hydroxyphenyl)vinyl]-5-oxo-oxazolidin-4-yl]acetic acid","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C3NC(C(=O)O3)CC(=O)O","AJBNWPRTBYQALF-UVTDQMKNSA-N","6477540",NA,"PDBC17560","686413","Present"
-"2-[2-[(Z)-Benzylideneamino]-6-phenylpyrimidin-4-yl]-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-[2-[(Z)-Benzylideneamino]-6-phenylpyrimidin-4-yl]-4-methylphenol","","CC1=CC(=C(C=C1)O)C2=NC(=NC(=C2)C3=CC=CC=C3)N=CC4=CC=CC=C4","URHOGTCCBLCWCS-XYGWBWBKSA-N","135509205",NA,"PDBC17561","678881","Present"
-"2-[2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy","","CC1C(C(C(C(O1)OC2C(C(C(OC2OC(C)(CCC=C(C)CO)C3CCC4(C3CCC5C4(C(CC6C5(CCC(C6(C)C)O)C)O)C)C)CO)O)O)O)O)O","GCASFCUJTIEHAJ-LCHHUYPUSA-N","5468693",NA,"PDBC17562","674626","Present"
-"2-[2-[1-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethyl]isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[2-[1-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethyl]isoindoline-1,3-dione","","CC1=CN(C(=O)NC1=O)C(C)OCCN2C(=O)C3=CC=CC=C3C2=O","KFGGILSLAMVDCQ-UHFFFAOYSA-N","395834",NA,"PDBC17563","700837","Present"
-"2-[2-[2,4-Dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","2-[2-[2,4-Dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carb","","C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC4=CC=CC=C4","LASNPBRFYJWGQV-UHFFFAOYSA-N","366483",NA,"PDBC17564","634943","Present"
-"2-[2-[2-(2-Pyrazin-2-ylethynyl)phenyl]ethynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Pyrazin-2-ylethynyl)phenyl]ethynyl]aniline","","C1=CC=C(C(=C1)C#CC2=CC=CC=C2N)C#CC3=NC=CN=C3","BJWREBDQBRWMNN-UHFFFAOYSA-N","24203580",NA,"PDBC17565","728598","Present"
-"2-[2-[2-(2-Thiophen-2-ylethynyl)phenyl]ethynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Thiophen-2-ylethynyl)phenyl]ethynyl]aniline","","C1=CC=C(C(=C1)C#CC2=CC=CC=C2N)C#CC3=CC=CS3","PYJYXNYRUBZNII-UHFFFAOYSA-N","24203581",NA,"PDBC17566","728599","Present"
-"2-[2-[2-(5,8-Dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]ethyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[2-[2-(5,8-Dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]ethyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione","","CN(CCN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-])CCN4C(=O)C5=CC(=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-]","KZQUWCFQFIZGKN-UHFFFAOYSA-N","357257",NA,"PDBC17567","615443","Present"
-"2-[2-[2-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethoxycarbonylamino]-5-ureido-pentanoic acid","","","","","","","","","","","","","","","","","","","","2-[2-[2-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethoxycarbonylamino]-5-ureido-pentanoic acid","","CC1=CN(C(=O)NC1=O)CCOCCOC(=O)NC(CCCNC(=O)N)C(=O)O","GHBRVOMRIIEMGZ-UHFFFAOYSA-N","391690",NA,"PDBC17568","691232","Present"
-"2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethyl]isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethyl]isoindoline-1,3-dione","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCN5C(=O)C6=CC=CC=C6C5=O","FNFCMSXPTJUYRE-UHFFFAOYSA-N","368677",NA,"PDBC17569","639795","Present"
-"2-[2-[2-[(1R,3As,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-5a,5b,8,8,9,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]oxyethoxy]ethoxy]ethyl-triphenylphosphanium","","","","","","","","","","","","","","","","","","","","2-{2-[2-(triphenylphosphonio)ethoxy]ethoxy}ethyl 3-hydro...","","CC1CCC2(C3CCC4C5C(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C(=O)OCCOCCOCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=C)C)C","RCJMYYQPLGNZIA-NPUKJUDISA-N","155811915",NA,"PDBC17570","791860","Present"
-"2-[2-[2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]ethoxy]ethylamino]cyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-[2-[2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]ethoxy]ethylamino]cyclohepta-2,4,6-trien-1-one","","C1=CC=C(C(=O)C=C1)NCCOCCNC2=CC=CC=CC2=O","WQUDKKXCMOFMGW-UHFFFAOYSA-N","358325",NA,"PDBC17571","618289","Present"
-"2-[2-[2-[1-(2-Methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-enyl]-5-oxo-2H-furan-4-yl]ethyl]-3-methylbut-2-enal","","","","","","","","","","","","","","","","","","","","2-[2-[2-[1-(2-Methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-enyl]-5-oxo-2H-furan-4-yl]ethyl]-3-methylbut-2-enal","","CC1=CC(OC1=O)(C(C2C=C(C(=O)O2)CCC(=C(C)C)C=O)C(=C)C)OC","IYTPQKWQKYLEMT-UHFFFAOYSA-N","24202891",NA,"PDBC17572","726177","Present"
-"2-[2-[2-[2-(1,3-Dioxoisoindolin-2-yl)ethylsulfanyl]-3-hydroxy-propyl]sulfanylethyl]isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[2-[2-[2-(1,3-Dioxoisoindol-2-yl)ethylsulfanyl]-3-hydroxypropyl]sulfanylethyl]isoindole-1,3-dione","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCC(CO)SCCN3C(=O)C4=CC=CC=C4C3=O","OREAFLROAQETFC-UHFFFAOYSA-N","394306",NA,"PDBC17573","697673","Present"
-"2-[2-[2-[2-(2-Aminophenyl)ethynyl]phenyl]ethynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[2-[2-[2-(2-Aminophenyl)ethynyl]phenyl]ethynyl]aniline","","C1=CC=C(C(=C1)C#CC2=CC=CC=C2N)C#CC3=CC=CC=C3N","BZPJHLWWAGEDIZ-UHFFFAOYSA-N","11266822",NA,"PDBC17574","727178","Present"
-"2-[2-[2-[2-(6-Methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)oxyethoxy]ethoxy]ethoxy]ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","2-[2-[2-[2-(6-Methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)oxyethoxy]ethoxy]ethoxy]ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate","","CC1=C(N2C=CSC2=N1)C(=O)OCCOCCOCCOCCOC(=O)C3=C(N=C4N3C=CS4)C","PRQRDHSPTLBFBW-UHFFFAOYSA-N","400594",NA,"PDBC17575","712717","Present"
-"2-[2-[2-[2-[2-[(4-Methoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dodecanoate","","","","","","","","","","","","","","","","","","","","2-[2-[2-[2-[2-[(4-Methoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dodecanoate","","CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCC1=CC=C(C=C1)OC","IPFPZSGQCASWNC-UHFFFAOYSA-N","361961",NA,"PDBC17576","625444","Present"
-"2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine","","","","","","","","","","","","","","","","","","","","2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine","","C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)OCCCCCCOC3=CC=C(C=C3)C#CC4=CC=CC=C4C#CC5=CC=CC=N5)C#CC6=CC=CC=N6","QLJOBUPSRHZKBS-UHFFFAOYSA-N","25198629",NA,"PDBC17577","741695","Present"
-"2-[2-[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide","","CC(C(=O)NC(CCC(=O)NCCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)C(C)OC4C(C(OC(C4NC(=O)C)(C)OCC5=CC=CC=C5)CO)O","JXJCLGDQUPBNPZ-UHFFFAOYSA-N","388678",NA,"PDBC17578","683696","Present"
-"2-[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoylamino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoylamino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide","","CC(C(=O)NC(CCC(=O)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","ZXLBOKLEIWEQLF-UHFFFAOYSA-N","386034",NA,"PDBC17579","677597","Present"
-"2-[2-[2-[5-Bromo-3-[2-(oxan-2-yloxy)ethyl]thiophen-2-yl]thiophen-3-yl]ethoxy]oxane","","","","","","","","","","","","","","","","","","","","2-[2-[5-Bromo-2-[3-(2-tetrahydropyran-2-yloxyethyl)-2-thienyl]-3-thienyl]ethoxy]tetrahydropyran","","C1CCOC(C1)OCCC2=C(SC=C2)C3=C(C=C(S3)Br)CCOC4CCCCO4","REWOKFJYEVCXDU-UHFFFAOYSA-N","396459",NA,"PDBC17580","702433","Present"
-"2-[2-[3,3-Bis(trifluoromethyl)-1H-2,1-benzoxaphosphol-1-ium-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olate;carbon monoxide;rhenium","","","","","","","","","","","","","","","","","","","","2-[2-[3,3-Bis(trifluoromethyl)-1H-2,1-benzoxaphosphol-1-ium-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olate;carbon monoxide;rhenium","","[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C2C(=C1)C(O[PH+]2C3=CC=CC=C3C(C(F)(F)F)(C(F)(F)F)[O-])(C(F)(F)F)C(F)(F)F.[Re]","UXXORNZMGAGXFF-UHFFFAOYSA-O","6711324",NA,"PDBC17581","618638","Present"
-"2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]etha","","C1=CSC(=C1CCO)C2=C(C=C(S2)C3=CC(=C(S3)C4=C(C=C(S4)C5=CC(=C(S5)C6=C(C=CS6)CCO)CCO)CCO)CCO)CCO","FDBOCQYTXBDDQA-UHFFFAOYSA-N","396461",NA,"PDBC17582","702435","Present"
-"2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethanol","","C1=CSC(=C1CCO)C2=C(C=C(S2)C3=CC(=C(S3)C4=C(C=CS4)CCO)CCO)CCO","UFOPMNRLMCBLBZ-UHFFFAOYSA-N","396460",NA,"PDBC17583","702434","Present"
-"2-[2-[3-Methyl-2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[3-methyl-2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","2-[2-[3-Methyl-2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[3-methyl-2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethoxycarbon","","CN1C(=O)C(=CN(C1=O)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC3=CC=CC=C3)C(=O)NC(=O)OCC4=CC=CC=C4","FBSPQYFRDYYORT-UHFFFAOYSA-N","366482",NA,"PDBC17584","634942","Present"
-"2-[2-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy]ethoxy]ethyl carbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[2-[2-[P-(1,1,3,3-TETRAMETHYBUTYL)PHENOXY]ETHOXY]ETHYL...","","CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCSC(=N)N.Cl","DJOZLRPUXHAYCL-UHFFFAOYSA-N","24180757",NA,"PDBC17585","738","Present"
-"2-[2-[4-(3-Chloro-1,4-dihydroxy-5,8-dioxonaphthalen-2-yl)piperazin-1-yl]ethoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[2-[4-(3-Chloro-1,4-dihydroxy-5,8-dioxonaphthalen-2-yl)piperazin-1-yl]ethoxy]ethyl acetate","","CC(=O)OCCOCCN1CCN(CC1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","YJDSHGQPJNTCFG-UHFFFAOYSA-N","378769",NA,"PDBC17586","661939","Present"
-"2-[2-[4-[(2,4-Diaminopteridin-6-yl)methylamino]phenyl]-2-oxoethyl]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[2-[4-[(2,4-Diaminopteridin-6-yl)methylamino]phenyl]-2-oxoethyl]pentanedioic acid","","C1=CC(=CC=C1C(=O)CC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N","LRFMLHUPQULXRR-UHFFFAOYSA-N","15950455",NA,"PDBC17587","747292","Present"
-"2-[2-[4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethoxy]ethanol","","","","","","","","","","","","","","","","","","","","2-(2-{4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl}ethoxy)ethanol","","C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)CCOCCO","LGHPAZPGUBMOBO-UHFFFAOYSA-N","403199",NA,"PDBC17588","717854","Present"
-"2-[2-[5-(Butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","2-[2-[5-(Butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate","","CCCCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCCCC","SNGFHGFOLQRBKC-UHFFFAOYSA-N","364906",NA,"PDBC17589","631734","Present"
-"2-[2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxy]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxy]ethoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","2-[2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxy]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxy]ethoxycarbonylamino]hexyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCOCCOC(=O)NCCCCCCNC(=O)OCCOCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","SWGIYRBRBVFAAY-UHFFFAOYSA-N","364730",NA,"PDBC17590","631388","Present"
-"2-[2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","2-[2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","AWEPXDHELRCXIS-UHFFFAOYSA-N","362008",NA,"PDBC17591","625512","Present"
-"2-[2-[5-(Ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","2-[2-[5-(Ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]","","CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC","ZHYXJJHAKPJNTQ-UHFFFAOYSA-N","367630",NA,"PDBC17592","637505","Present"
-"2-[2-[6-(Benzylamino)purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[2-[6-(Benzylamino)purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol","","C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)CCN(CCO)CCO","SYQYHCGSXCEBDV-UHFFFAOYSA-N","386254",NA,"PDBC17593","677997","Present"
-"2-[2-[6-(Diethylamino)purin-9-yl]ethylamino]-2-(hydroxymethyl)propane-1,3-diol","","","","","","","","","","","","","","","","","","","","2-[2-[6-(Diethylamino)purin-9-yl]ethylamino]-2-(hydroxymethyl)propane-1,3-diol","","CCN(CC)C1=NC=NC2=C1N=CN2CCNC(CO)(CO)CO","BOFICWMKZNTQGG-UHFFFAOYSA-N","386255",NA,"PDBC17594","677998","Present"
-"2-[2-[Bis(2-hydroxyethyl)amino]ethyl]benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[2-[Bis(2-hydroxyethyl)amino]ethyl]benzo[de]isoquinoline-1,3-dione","","C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCN(CCO)CCO","ZHBMPLTZDUHWHL-UHFFFAOYSA-N","357359",NA,"PDBC17595","615793","Present"
-"2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;oxalic acid","","","","","","","","","","","","","","","","","","","","2-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-2,5-diazabicyclo[2.2.1]heptane ethanedioate","","C1C2CNC1CN2CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O","BOOYGABFMMCSDK-UHFFFAOYSA-N","401874",NA,"PDBC17596","715569","Present"
-"2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-5-(3-phenylpropyl)-2,5-diazabicyclo[2.2.1]heptane;oxalic acid","","","","","","","","","","","","","","","","","","","","2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-5-(3-phenylpropyl)-2,5-diazabicyclo[2.2.1]heptane;oxalic acid","","C1C2CN(C1CN2CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CCCC5=CC=CC=C5.C(=O)(C(=O)O)O","FBKYHGQTRSBVRA-UHFFFAOYSA-N","401876",NA,"PDBC17597","715570","Present"
-"2-[2-[[(2S,4Ar,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-hydroxy-8-(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10a,10b-pentamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[2-[[(2S,4Ar,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-hydroxy-8-(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10a,10b-pentamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy","","CC(=CCCC1(CCC2(C(C1O)CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)C)CO)CO","MMHOGCZZCGCJMX-TWZCASDLSA-N","5468695",NA,"PDBC17598","674628","Present"
-"2-[2-[[(2S,4Ar,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-hydroxy-8,10a-bis(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10b-tetramethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[2-[[(2S,4Ar,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-hydroxy-8,10a-bis(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10b-tetramethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]","","CC(=CCCC1(CCC2(C(C1O)CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(CO5)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)CO)CO)CO","PZCDUVGZEQXVFC-MPDQHISWSA-N","5468694",NA,"PDBC17599","674627","Present"
-"2-[2-[[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide","","","","","","","","","","","","","","","","","","","","2-[2-[[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide","","CC(C(=O)NC(CCC(=O)NCCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4NC(=O)C)(C)OCC5=CC=CC=C5)CO)O","KOGMQMFXOGAMFW-UHFFFAOYSA-N","388677",NA,"PDBC17600","683695","Present"
-"2-[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)pentanediamide","","","","","","","","","","","","","","","","","","","","2-[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)pentanediamide","","CC(C(=O)NC(CCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2)C(=O)N)NC(=O)COC5C(C(OC(C5O)CO)OCC6=CC=CC=C6)NC(=O)C","DPNMQPLTYKKMJL-UHFFFAOYSA-N","6712904",NA,"PDBC17601","719484","Present"
-"2-[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[6-oxo-6-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]hexyl]pentanediamide","","","","","","","","","","","","","","","","","","","","2-[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[6-oxo-6-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]hexyl]pentanediamide","","CC(C(=O)NC(CCC(=O)NCCCCCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2)C(=O)N)NC(=O)COC5C(C(OC(C5O)CO)OCC6=CC=CC=C6)NC(=O)C","GWQWQCJJTXJODG-UHFFFAOYSA-N","6712905",NA,"PDBC17602","719485","Present"
-"2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-Acetamido-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]propanoylamino]-N-[6-amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide","","","","","","","","","","","","","","","","","","","","2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-Acetamido-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-","","CC(C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N)NC(=O)CNC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CO)NC(=O)C(CC3=CNC=N3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CO)NC(=O)C6CCCN6C(=O)C(CC7=CNC8=CC=CC=C87)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C","ICZXKUKCBCWCRM-UHFFFAOYSA-N","16129812",NA,"PDBC17603","676933","Present"
-"2-[2-[[22-[2-(2-Hydroxyethoxy)ethoxy]-2,7,12,17-tetraphenyl-21,23,24,25-tetraza-22-phosphoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-22-yl]oxy]ethoxy]ethanol;chloride","","","","","","","","","","","","","","","","","","","","Phosphorus(1+) bis[[2,2'-oxybis(ethanolato)](1-)-O'] [5,...","","C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC5=C(C6=NC(=C(C7=CC=C2N7[P+](N45)(OCCOCCO)OCCOCCO)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C1=CC=CC=C1.[Cl-]","ZYVRCAXRVADBSQ-UHFFFAOYSA-M","387854",NA,"PDBC17604","682067","Present"
-"2-[2-[[4-[10-[10-[4-[[1,3-Bis(dicyanomethylidene)inden-2-ylidene]methyl]phenoxy]decyldisulfanyl]decoxy]phenyl]methylidene]-3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[2-[[4-[10-[10-[4-[[1,3-Bis(dicyanomethylidene)inden-2-ylidene]methyl]phenoxy]decyldisulfanyl]decoxy]phenyl]methylidene]-3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile","","C1=CC=C2C(=C1)C(=C(C#N)C#N)C(=CC3=CC=C(C=C3)OCCCCCCCCCCSSCCCCCCCCCCOC4=CC=C(C=C4)C=C5C(=C(C#N)C#N)C6=CC=CC=C6C5=C(C#N)C#N)C2=C(C#N)C#N","AQRBTXBUOLCYMI-UHFFFAOYSA-N","400761",NA,"PDBC17605","713192","Present"
-"2-[3,3-Bis(4-methylphenyl)-2-benzothiophen-1-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","[3,3-Bis(4-methylphenyl)-2-benzothiophen-1(3H)-ylidene]propanedinitrile","","CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C(C#N)C#N)S2)C4=CC=C(C=C4)C","WMXOTLYSLGXBMB-UHFFFAOYSA-N","376974",NA,"PDBC17606","658174","Present"
-"2-[3,3-Dimethoxy-1-(3,4,5-trimethoxyphenyl)propylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","[3,3-Dimethoxy-1-(3,4,5-trimethoxyphenyl)propylidene]propanedinitrile","","COC1=CC(=CC(=C1OC)OC)C(=C(C#N)C#N)CC(OC)OC","VYFCFUABADUEOI-UHFFFAOYSA-N","374956",NA,"PDBC17607","653614","Present"
-"2-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-thioxo-4H-1,2,4-triazin-5-one","","","","","","","","","","","","","","","","","","","","as-Triazine-3,5(2H,4H)-dione, 2-.beta.-D-ribofuranosyl-3...","","C1=NN(C(=S)NC1=O)C2C(C(C(O2)CO)O)O","TVCBDTCUOVDLNZ-UHFFFAOYSA-N","3664418",NA,"PDBC17608","146268","Present"
-"2-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]thiazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","2-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]thiazole-4-carboxamide","","C1C(C(C(O1)CO)O)(C2=NC(=CS2)C(=O)N)O","UQMCDFVSMMCFKQ-UHFFFAOYSA-N","393731",NA,"PDBC17609","696249","Present"
-"2-[3,5(Trimethoxy)benzylamino]-3-phenyl-5,7-diamino quinoxaline","","","","","","","","","","","","","","","","","","","","2-[3,4,5(trimethoxy)benzylamino]-3-phenyl-5,7-diamino qu...","","COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","OMZKQPBRHRPQRH-UHFFFAOYSA-N","24204259",NA,"PDBC17610","731129","Present"
-"2-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine","","","","","","","","","","","","","","","","","","","","2-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine","","C1=CC(=CC=C1NC(=NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NO)Cl","LVGVNTOZYKKMBY-UHFFFAOYSA-N","9572189",NA,"PDBC17611","707032","Present"
-"2-[3,6-Bis(phenylmethoxy)-9H-xanthen-9-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide","","","","","","","","","","","","","","","","","","","","2-[3,6-Bis(phenylmethoxy)-9H-xanthen-9-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide","","COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2C3C4=C(C=C(C=C4)OCC5=CC=CC=C5)OC6=C3C=CC(=C6)OCC7=CC=CC=C7)OC","BFEFBCPPUDYLDD-UHFFFAOYSA-N","398083",NA,"PDBC17612","707448","Present"
-"2-[3,7-Diamino quinoxaline","","","","","","","","","","","","","","","","","","","","2-[3,4(dichloro)phenyltio]-3-phenyl-5,7-diamino quinoxaline","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2SC4=CC(=C(C=C4)Cl)Cl)N)N","XISMPHFRKUSUAZ-UHFFFAOYSA-N","24203448",NA,"PDBC17613","728041","Present"
-"2-[3-(1,3-Dimethylimidazolidin-2-yl)phenyl]-1,3-dimethylimidazolidine","","","","","","","","","","","","","","","","","","","","2-[3-(1,3-Dimethylimidazolidin-2-yl)phenyl]-1,3-dimethylimidazolidine","","CN1CCN(C1C2=CC(=CC=C2)C3N(CCN3C)C)C","IFHCYMOYZBAVED-UHFFFAOYSA-N","359185",NA,"PDBC17614","619867","Present"
-"2-[3-(10-Chloroanthracen-9-yl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[3-(10-Chloroanthracen-9-yl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","C1=CC=C(C=C1)C(C(=O)N)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)Cl","OJIUQUHZHQMTDD-UHFFFAOYSA-N","401597",NA,"PDBC17615","715293","Present"
-"2-[3-(10-Chloroanthracen-9-yl)-5-(2,3-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[3-(10-Chloroanthracen-9-yl)-5-(2,3-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","CC1=C(C(=CC=C1)N2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=C6C=CC=CC6=C(C7=CC=CC=C75)Cl)C","SXUMLEVGKFCHDK-UHFFFAOYSA-N","402786",NA,"PDBC17616","717037","Present"
-"2-[3-(10-Chloroanthracen-9-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[3-(10-Chloroanthracen-9-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","C1=CC=C(C=C1)C(C(=O)N)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)C6=C7C=CC=CC7=C(C8=CC=CC=C86)Cl","RSHYOUWYBGZAQZ-UHFFFAOYSA-N","402785",NA,"PDBC17617","717036","Present"
-"2-[3-(1H-Benzimidazol-2-yl)-6-phenyl-2-(1-piperidyl)-1,4-dihydropyridin-4-yl]phenol","","","","","","","","","","","","","","","","","","","","2-(3-(1H-Benzimidazol-2-yl)-6-phenyl-2-(1-piperidinyl)-1,4-dihydro-4-pyridinyl)phenol","","C1CCN(CC1)C2=C(C(C=C(N2)C3=CC=CC=C3)C4=CC=CC=C4O)C5=NC6=CC=CC=C6N5","XECDJUHIUDDYCD-UHFFFAOYSA-N","378078",NA,"PDBC17618","659811","Present"
-"2-[3-(1H-Indol-3-ylmethyl)piperidin-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[3-(1h-Indol-3-ylmethyl)-1-piperidyl]acetic acid","","C1CC(CN(C1)CC(=O)O)CC2=CNC3=CC=CC=C32","AXAHQCGSEIRMQJ-UHFFFAOYSA-N","396996",NA,"PDBC17619","704233","Present"
-"2-[3-(2,4-Dichlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol","","","","","","","","","","","","","","","","","","","","2-[3-(2,4-Dichlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol","","C1C(N(N=C1C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=C(C=C(C=C5)Cl)Cl","XIPFDLFRGVWTDZ-UHFFFAOYSA-N","390452",NA,"PDBC17620","687806","Present"
-"2-[3-(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethoxy)-propyl]-isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[3-(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethoxy)-propyl]-isoindole-1,3-dione","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOCC3=CNC(=O)NC3=O","IFZJKKBYRIJOBB-UHFFFAOYSA-N","373127",NA,"PDBC17621","649069","Present"
-"2-[3-(2,5-Dichloro-phenylsulfanyl)-3-p-tolyl-allylidene]-mal ononitrile","","","","","","","","","","","","","","","","","","","","2-[3-(2,5-Dichloro-phenylsulfanyl)-3-p-tolyl-allylidene]...","","CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=C(C=CC(=C2)Cl)Cl","DVALOXOFGMNUCR-NVMNQCDNSA-N","5473090",NA,"PDBC17622","723647","Present"
-"2-[3-(2-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phenyl)-allylidene]-malononitrile","","","","","","","","","","","","","","","","","","","","2-[3-(2-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phen...","","C1=CC(=CC=C1C(=CC=C(C#N)C#N)SC2=C(C=C(C=C2)F)Cl)Cl","IPOZZDWMWVRBCD-IDUWFGFVSA-N","18526618",NA,"PDBC17623","727948","Present"
-"2-[3-(2-Cyanophenyl)-2-hydroxy-2-methylpropyl]benzonitrile","","","","","","","","","","","","","","","","","","","","2-[3-(2-Cyanophenyl)-2-hydroxy-2-methylpropyl]benzonitrile","","CC(CC1=CC=CC=C1C#N)(CC2=CC=CC=C2C#N)O","MMHSTDIABBNAHE-UHFFFAOYSA-N","400932",NA,"PDBC17624","713616","Present"
-"2-[3-(3,4,5-Trimethoxyphenyl)acryloyl]-3-methylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","1-(3-Methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,5-trimetho...","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","CFNHGTLEPYTDDJ-MDZDMXLPSA-N","44434461",NA,"PDBC17625","741737","Present"
-"2-[3-(3-Aminopropoxy)-2-naphthamido)-5-chlorophenyl-3-(3-aminopropoxy)-2-naphthoate dihydrochloride","","","","","","","","","","","","","","","","","","","","2-[3-(3-Aminopropoxy)-2-naphthamido)-5-chlorophenyl-3-(3...","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=C(C=C(C=C3)Cl)OC(=O)C4=CC5=CC=CC=C5C=C4OCCCN)OCCCN.Cl","VJFKEBZMNSAOIO-UHFFFAOYSA-N","54613723",NA,"PDBC17626","751300","Present"
-"2-[3-(3-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phenyl)-allylidene]-malononitrile","","","","","","","","","","","","","","","","","","","","2-[3-(3-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phen...","","C1=CC(=CC=C1C(=CC=C(C#N)C#N)SC2=CC(=C(C=C2)F)Cl)Cl","ZZBHKVIOLKCSRC-LSCVHKIXSA-N","18527565",NA,"PDBC17627","735431","Present"
-"2-[3-(3-Methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyacetic acid","","","","","","","","","","","","","","","","","","","","2-[3-(3-Methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyacetic acid","","CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OCC(=O)O)C","CWCKYSOKAILEQL-UHFFFAOYSA-N","263534",NA,"PDBC17628","98026","Present"
-"2-[3-(4,5-Dichloro-3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)propanoyl]hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","2-[3-(4,5-Dichloro-3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)propanoyl]hydrazinecarboxamide","","C(CN1C(=O)C(=C(C(=O)N1)Cl)Cl)C(=O)NNC(=O)N","FWRFHFRSMICJPX-UHFFFAOYSA-N","365864",NA,"PDBC17629","633939","Present"
-"2-[3-(4-Chloro-phenyl)-3-(1-methyl-1H-imidazol-2-ylsulfanyl)-allylidene]-malonitrile","","","","","","","","","","","","","","","","","","","","2-[3-(4-Chloro-phenyl)-3-(1-methyl-1H-imidazol-2-ylsulfa...","","CN1C=CN=C1SC(=CC=C(C#N)C#N)C2=CC=C(C=C2)Cl","GFKVMAYZHSCZEZ-CHHVJCJISA-N","5473150",NA,"PDBC17630","724277","Present"
-"2-[3-(4-Chloro-phenyl)-3-(2,5,6-tetrachloro-pyridin-4-ylsu lfanyl)-allylidene]-malononitrile","","","","","","","","","","","","","","","","","","","","2-[3-(4-Chloro-phenyl)-3-(2,3,5,6-tetrachloro-pyridin-4-...","","C1=CC(=CC=C1C(=CC=C(C#N)C#N)SC2=C(C(=NC(=C2Cl)Cl)Cl)Cl)Cl","TYZHBWNPQLKSTI-SDQBBNPISA-N","5473091",NA,"PDBC17631","723648","Present"
-"2-[3-(4-Chloro-phenyl)-3-(6-ethoxy-benzothiazol-2-ylsulfanyl)-allylidene]-malononitrile","","","","","","","","","","","","","","","","","","","","2-[3-(4-Chloro-phenyl)-3-(6-ethoxy-benzothiazol-2-ylsulf...","","CCOC1=CC2=C(C=C1)N=C(S2)SC(=CC=C(C#N)C#N)C3=CC=C(C=C3)Cl","SUSXABDYIIGQSX-VXLYETTFSA-N","6522377",NA,"PDBC17632","727951","Present"
-"2-[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-3-phenyl-propion ic acid methyl ester","","","","","","","","","","","","","","","","","","","","2-[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-3-phenyl-pro...","","COC(=O)C(CC1=CC=CC=C1)NC=CC(=O)C2=CC=C(C=C2)Cl","ZHBYPDRYQALCDT-QXMHVHEDSA-N","18531921",NA,"PDBC17633","728222","Present"
-"2-[3-(4-Chloro-phenylsulfanyl)-3-(4-fluoro-phenyl)-allyliden e]-malononitrile","","","","","","","","","","","","","","","","","","","","2-[3-(4-Chloro-phenylsulfanyl)-3-(4-fluoro-phenyl)-allyl...","","C1=CC(=CC=C1C(=CC=C(C#N)C#N)SC2=CC=C(C=C2)Cl)F","HDQUEDRELODXLJ-ZDLGFXPLSA-N","5372567",NA,"PDBC17634","725050","Present"
-"2-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]-3-(1H-pyrrol-2-yl)acrylonitrile","","","","","","","","","","","","","","","","","","","","2-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]-3-(1H-py...","","C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=CC4=CC=CN4)C#N","FEOUVUKHTREKFD-GHRIWEEISA-N","135968258",NA,"PDBC17635","749220","Present"
-"2-[3-(4-Chlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol","","","","","","","","","","","","","","","","","","","","2-[3-(4-Chlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol","","C1C(N(N=C1C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=C(C=C5)Cl","ULAMKFRJZLAJEZ-UHFFFAOYSA-N","390451",NA,"PDBC17636","687805","Present"
-"2-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-[[3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-hydroxyphenyl]methyl]phenol","","","","","","","","","","","","","","","","","","","","2-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-[[3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-hydroxyphenyl]methyl]phenol","","C1C(NN=C1C2=CC=C(C=C2)Cl)C3=C(C=CC(=C3)CC4=CC(=C(C=C4)O)C5CC(=NN5)C6=CC=C(C=C6)Cl)O","INMQHLIMMGRRJC-UHFFFAOYSA-N","53306274",NA,"PDBC17637","751619","Present"
-"2-[3-(4-Dimethylaminophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol","","","","","","","","","","","","","","","","","","","","2-[3-(4-Dimethylaminophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol","","CN(C)C1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C5=CC=CC=C5C=C4)O","NQIJMZSOWUXEOX-UHFFFAOYSA-N","390454",NA,"PDBC17638","687808","Present"
-"2-[3-(4-Hydroxyphenyl)-1,2-oxazol-5-yl]benzene-1,3,5-triol","","","","","","","","","","","","","","","","","","","","2-[3-(4-Hydroxyphenyl)-1,2-oxazol-5-yl]benzene-1,3,5-triol","","C1=CC(=CC=C1C2=NOC(=C2)C3=C(C=C(C=C3O)O)O)O","FNLGQAWZJZWYAA-UHFFFAOYSA-N","379810",NA,"PDBC17639","664910","Present"
-"2-[3-(4-Methylpiperazino)propionylamino]-4-thiazolecarboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-[3-(4-methylpiperazin-1-yl)propanoylamino]thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)CCN2CCN(CC2)C","GIIRGXQHYFGMPI-UHFFFAOYSA-N","396830",NA,"PDBC17640","703834","Present"
-"2-[3-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylide ne]-malononitrile","","","","","","","","","","","","","","","","","","","","2-[3-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-3-p-tolyl-ally...","","CCOC1=CC2=C(C=C1)N=C(S2)SC(=CC=C(C#N)C#N)C3=CC=C(C=C3)C","OHXWFXOVGDRAPA-RGVLZGJSSA-N","6529944",NA,"PDBC17641","728218","Present"
-"2-[3-(9-Ethylcarbazol-2-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[3-(9-Ethylcarbazol-2-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","CCN1C2=CC=CC=C2C3=C1C=C(C=C3)C4C5C(C(=O)N(C5=O)C6=CC=CC7=CC=CC=C76)ON4C(C8=CC=CC=C8)C(=O)N","AQNKYYJLLBVRMD-UHFFFAOYSA-N","402783",NA,"PDBC17642","717034","Present"
-"2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-chloro-phenyl)-allylid ene]-malononitrile","","","","","","","","","","","","","","","","","","","","2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-chloro-phenyl)-all...","","C1=CC=C2C(=C1)N=C(S2)SC(=CC=C(C#N)C#N)C3=CC=C(C=C3)Cl","FAZLHXTVIVXNMV-YVLHZVERSA-N","5473316",NA,"PDBC17643","725052","Present"
-"2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-methoxy-phenyl)-allyli dene]-malononitrile","","","","","","","","","","","","","","","","","","","","2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-methoxy-phenyl)-al...","","COC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=NC3=CC=CC=C3S2","RDYSRPPSUCPBDW-WOJGMQOQSA-N","5715272",NA,"PDBC17644","732122","Present"
-"2-[3-(Carboxymethyl)-2,2-dimethylcyclohexyl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[3-(Carboxymethyl)-2,2-dimethyl-cyclohexyl]acetic acid","","CC1(C(CCCC1CC(=O)O)CC(=O)O)C","MKHBBZDYDZDXPP-UHFFFAOYSA-N","245986",NA,"PDBC17645","58520","Present"
-"2-[3-(Carboxymethyl)-2-methylpiperidin-4-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[3-(Carboxymethyl)-2-methylpiperidin-4-yl]acetic acid","","CC1C(C(CCN1)CC(=O)O)CC(=O)O","QACOOJQHEYNJEN-UHFFFAOYSA-N","242459",NA,"PDBC17646","51132","Present"
-"2-[3-(Chloromethyl)-6-nitro-2,3-dihydroindole-1-carbonyl]-N-(2-morpholin-4-ylethyl)-1H-indole-6-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[3-(Chloromethyl)-6-nitro-2,3-dihydroindole-1-carbonyl]-N-(2-morpholin-4-ylethyl)-1H-indole-6-carboxamide;hydrochloride","","C1COCCN1CCNC(=O)C2=CC3=C(C=C2)C=C(N3)C(=O)N4CC(C5=C4C=C(C=C5)[N+](=O)[O-])CCl.Cl","BYHCSCWHAUNYTQ-UHFFFAOYSA-N","389903",NA,"PDBC17647","686557","Present"
-"2-[3-(Cyano-phenyl-methyl)-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-acetonitrile","","","","","","","","","","","","","","","","","","","","2-[3-[Cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile","","C1CN(C(N(C1)C(C#N)C2=CC=CC=C2)C3=CC=CC=C3O)C(C#N)C4=CC=CC=C4","URGZWCGWLFKZMA-UHFFFAOYSA-N","416751",NA,"PDBC17648","81540","Present"
-"2-[3-(Dicyanomethylidene)-2-[[4-(10-methylsulfanyldecoxy)phenyl]methylidene]inden-1-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[3-(Dicyanomethylidene)-2-[[4-(10-methylsulfanyldecoxy)phenyl]methylidene]inden-1-ylidene]propanedinitrile","","CSCCCCCCCCCCOC1=CC=C(C=C1)C=C2C(=C(C#N)C#N)C3=CC=CC=C3C2=C(C#N)C#N","QUHFMUCKDBZVPB-UHFFFAOYSA-N","400762",NA,"PDBC17649","713193","Present"
-"2-[3-(Dimethylamino)phenyl]quinolin-4(1h)-one","","","","","","","","","","","","","","","","","","","","2-[3-(Dimethylamino)phenyl]quinolin-4(1h)-one","","CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=CC=CC=C3N2","XWELPBNDFIRDQP-UHFFFAOYSA-N","375357",NA,"PDBC17650","654981","Present"
-"2-[3-(Dimethylamino)propyl]-3,4-(1,2-phenylenecarbonyl)-1,2-dihydro-2,6-naphthyridine-1-one","","","","","","","","","","","","","","","","","","","","6-(3-(dimethylamino)propyl)-5H-indeno[1,2-c][2,6]naphthy...","","CN(C)CCCN1C2=C(C3=C(C1=O)C=CN=C3)C(=O)C4=CC=CC=C42","VEHGJNKIAVQNKN-UHFFFAOYSA-N","127044083",NA,"PDBC17651","780889","Present"
-"2-[3-(Dimethylamino)propyl]-3,4-(1,2-phenylenecarbonyl)-1,2-dihydro-2,7-naphthyridine-1-one","","","","","","","","","","","","","","","","","","","","6-(3-(dimethylamino)propyl)-5H-indeno[1,2-c][2,7]naphthy...","","CN(C)CCCN1C2=C(C3=C(C1=O)C=NC=C3)C(=O)C4=CC=CC=C42","DUBDZPXTUCXYHD-UHFFFAOYSA-N","122179163",NA,"PDBC17652","780891","Present"
-"2-[3-(Dimethylamino)propyl]guanidine;sulfuric acid","","","","","","","","","","","","","","","","","","","","NSC73646","","CN(C)CCCN=C(N)N.OS(=O)(=O)O","PFSBRVAUQQQEMA-UHFFFAOYSA-N","247144",NA,"PDBC17653","73646","Present"
-"2-[3-(Dimethylamino)propylamino]-1,4-dihydroxyanthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","2-((3-(Dimethylamino)propyl)amino)-1,4-dihydroxyanthra-9,10-quinone","","CN(C)CCCNC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O","PCIUVTQUMJMKAU-UHFFFAOYSA-N","428781",NA,"PDBC17654","339585","Present"
-"2-[3-(Hydroxymethyl)anilino]-3,7-dihydropurin-6-one","","","","","","","","","","","","","","","","","","","","6H-Purin-6-one, 1,9-dihydro-2-((3-(hydroxymethyl)phenyl)amino)-","","C1=CC(=CC(=C1)NC2=NC3=C(C(=O)N2)NC=N3)CO","GOJOULROYGOFSN-UHFFFAOYSA-N","135435081",NA,"PDBC17655","682529","Present"
-"2-[3-(Pyridin-2-ylsulfanyl)-3-p-tolyl-allylidene]-malononitr ile","","","","","","","","","","","","","","","","","","","","2-[3-(Pyridin-2-ylsulfanyl)-3-p-tolyl-allylidene]-malono...","","CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=CC=CC=N2","DKYWCQUURFCQDN-YVLHZVERSA-N","24205332",NA,"PDBC17656","735165","Present"
-"2-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole","","","","","","","","","","","","","","","","","","","","2-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole","","C1COC(C1C(Cl)(Cl)Cl)N2N=C3C=CC=CC3=N2","DKXWGSSZGCRMBJ-UHFFFAOYSA-N","388087",NA,"PDBC17657","682550","Present"
-"2-[3-(Trifluoromethyl)anilino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide","","","","","","","","","","","","","","","","","","","","2-[3-(Trifluoromethyl)anilino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide","","COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F","GBGGEWZUDJCWKI-CCVNUDIWSA-N","45029126",NA,"PDBC17658","745485","Present"
-"2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxy-N-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]acetamide","","","","","","","","","","","","","","","","","","","","2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxy-N-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]acetamide","","CC(=O)NC1C(C(C(OC1(C)OCC2=CC=CC=C2)CO)O)OCC(=O)NCCNC3=C4C(=C(C=C3)[N+](=O)[O-])NC5=CC=CC=C5C4=O","PYUXDKASBUQJKM-UHFFFAOYSA-N","388675",NA,"PDBC17659","683693","Present"
-"2-[3-Amino-4-oxo-2-thioxo-thiazolidin-ylidenemethyl]-4-benzy l-4H-furo[3,2-b]pyrrole-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-[3-Amino-4-oxo-2-thioxo-thiazolidin-ylidenemethyl]-4-b...","","CC(=O)NN1C(=O)C(=CC2=CC3=C(O2)C=C(N3CC4=CC=CC=C4)C(=O)OC)SC1=S","HWRWBHPQBAOICZ-NVMNQCDNSA-N","24204277",NA,"PDBC17660","731164","Present"
-"2-[3-Benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylidene]-malono nitrile","","","","","","","","","","","","","","","","","","","","2-[3-Benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylidene]-ma...","","CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=NC3=CC=CC=C3S2","OLTJFLPYMRERFI-WQRHYEAKSA-N","18530973",NA,"PDBC17661","727947","Present"
-"2-[3-Bromo-4-(acetylamino)phenyl]benzothiazole","","","","","","","","","","","","","","","","","","","","2-[3-Bromo-4-(acetylamino)phenyl]benzothiazole","","CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Br","MGWWXIKQBBOSEX-UHFFFAOYSA-N","394823",NA,"PDBC17662","698673","Present"
-"2-[3-Chloro-3-(4-chloro-phenyl)-allylidene]-malononitrile","","","","","","","","","","","","","","","","","","","","2-[3-Chloro-3-(4-chloro-phenyl)-allylidene]-malononitrile","","C1=CC(=CC=C1C(=CC=C(C#N)C#N)Cl)Cl","OOQYSQNSVIKCAR-SDQBBNPISA-N","5473313",NA,"PDBC17663","725048","Present"
-"2-[3-Chloro-4-(acetylamino)phenyl]benzothiazole","","","","","","","","","","","","","","","","","","","","2-[3-Chloro-4-(acetylamino)phenyl]benzothiazole","","CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Cl","XYUDZDRRFABYLW-UHFFFAOYSA-N","394825",NA,"PDBC17664","698675","Present"
-"2-[3-Chloro-4-[2-[(2E)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]-N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-[3-Chloro-4-[2-[(2E)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]-N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide","","C1=CC(=C(C=C1OCC(=O)NN=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)Cl)OCC(=O)NN=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl","VTQTYTZPRKMVBO-QGZAGHSOSA-N","54611645",NA,"PDBC17665","719152","Present"
-"2-[3-Chloro-4-[2-[2-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]hydrazinyl]-2-oxoethoxy]phenoxy]-N'-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]acetohydrazide","","","","","","","","","","","","","","","","","","","","2-[3-Chloro-4-[2-[2-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]hydrazinyl]-2-oxoethoxy]phenoxy]-N'-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]acetohydrazide","","C1C(N=C(S1)NNC(=O)COC2=CC(=C(C=C2)OCC(=O)NNC3=NC(CS3)C4=CC(=C(C=C4Cl)Cl)F)Cl)C5=CC(=C(C=C5Cl)Cl)F","WDEMIGLEHMFABR-UHFFFAOYSA-N","403746",NA,"PDBC17666","719156","Present"
-"2-[3-Chloro-phenylsulfanyl)-3-p-tolyl-allylidene]-malononitr ile","","","","","","","","","","","","","","","","","","","","2-[3-Chloro-phenylsulfanyl)-3-p-tolyl-allylidene]-malono...","","CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=CC=C(C=C2)Cl","ZPSOJYIHDNRGTI-ODLFYWEKSA-N","5473314",NA,"PDBC17667","725049","Present"
-"2-[3-Cyano-4,6-bis(4-fluorophenyl)-6-methyl-1,2,5,6-tetrahydropyridin-2-ylidene]propanedinitrile (5d)","","","","","","","","","","","","","","","","","","","","[3-Cyano-4,6-bis(4-fluorophenyl)-6-methyl-5,6-dihydropyridin-2(1h)-ylidene]propanedinitrile","","CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F","HMJHUCLFBGAWRD-UHFFFAOYSA-N","400100",NA,"PDBC17668","711592","Present"
-"2-[3-Hydroxy-2-[[4-methoxy-2-oxo-5-[(3-phenylmethoxyphenyl)methyl]pyrimidin-1-yl]methoxy]propyl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[3-Hydroxy-2-[[4-methoxy-2-oxo-5-[(3-phenylmethoxyphenyl)methyl]pyrimidin-1-yl]methoxy]propyl]isoindole-1,3-dione","","COC1=NC(=O)N(C=C1CC2=CC(=CC=C2)OCC3=CC=CC=C3)COC(CN4C(=O)C5=CC=CC=C5C4=O)CO","SPIQCAZTDLEAJN-UHFFFAOYSA-N","360828",NA,"PDBC17669","623291","Present"
-"2-[3-Hydroxy-4-(acetylamino)phenyl]benzothiazole","","","","","","","","","","","","","","","","","","","","2-[3-Hydroxy-4-(acetylamino)phenyl]benzothiazole","","CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)O","LNNXVNLFEWMDCK-UHFFFAOYSA-N","395431",NA,"PDBC17670","699969","Present"
-"2-[3-Iodo-4-(acetylamino)phenyl]benzothiazole","","","","","","","","","","","","","","","","","","","","2-[3-Iodo-4-(acetylamino)phenyl]benzothiazole","","CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)I","WLDKTFGDGDSFHA-UHFFFAOYSA-N","394822",NA,"PDBC17671","698672","Present"
-"2-[3-Methoxy-4-oxo-2-(2-thienyl)chromen-8-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[3-Methoxy-4-oxo-2-(2-thienyl)chromen-8-yl]acetic acid","","COC1=C(OC2=C(C=CC=C2C1=O)CC(=O)O)C3=CC=CS3","FSAOWBYNKJTYNX-UHFFFAOYSA-N","388156",NA,"PDBC17672","682720","Present"
-"2-[3-Methyl-4-[acetoxy(acetyl)amino]phenyl]benzothiazole","","","","","","","","","","","","","","","","","","","","2-[3-Methyl-4-[acetoxy(acetyl)amino]phenyl]benzothiazole","","CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N(C(=O)C)OC(=O)C","HKTUANSLAHBTFQ-UHFFFAOYSA-N","396348",NA,"PDBC17673","702152","Present"
-"2-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-(3-(4-Chlorobenzyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione","","C1CCC2C(C1)C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)Cl","FXKLXZIUKVUUSQ-UHFFFAOYSA-N","387568",NA,"PDBC17674","681525","Present"
-"2-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione","","C1C=CCC2C1C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)Cl","OERIBQXTNFEFTA-UHFFFAOYSA-N","388167",NA,"PDBC17675","682731","Present"
-"2-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione","","C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)Cl","SKHWHFOUWULQAS-UHFFFAOYSA-N","390059",NA,"PDBC17676","686973","Present"
-"2-[3-[(4-Nitrophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[3-[(4-Nitrophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione","","C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)[N+](=O)[O-]","HNMOOPYGKBXUCL-UHFFFAOYSA-N","386448",NA,"PDBC17677","678477","Present"
-"2-[3-[(E)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[3-[(E)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=CC=C3)OCC(=O)NC4=NC=CS4)O2","YLWWJQSJZVTASR-GZTJUZNOSA-N","45028627",NA,"PDBC17678","743508","Present"
-"2-[3-[(E)-(4-Oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[3-[(E)-(4-Oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","C1C(=CC2=CC(=CC=C2)OCC(=O)NC3=NC=CS3)C(=O)C4=CC=CC=C4O1","AQLNOCXXBKJOHR-XNTDXEJSSA-N","45028759",NA,"PDBC17679","744064","Present"
-"2-[3-[(Z)-(4-Oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[3-[(Z)-(4-Oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","C1C(=CC2=CC(=CC=C2)OCC(=O)NC3=NC=CS3)C(=O)C4=CC=CC=C4S1","IGPYRHRGXTYWGN-XNTDXEJSSA-N","45028766",NA,"PDBC17680","744071","Present"
-"2-[3-[(Z)-(5-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[3-[(Z)-(5-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide","","COC1=CC2=C(C=C1)OC(=CC3=CC(=CC=C3)OCC(=O)NC4=NC5=C(S4)CCCC5)C2=O","LEXCGYOATXBDSE-MTJSOVHGSA-N","45028746",NA,"PDBC17681","744048","Present"
-"2-[3-[(Z)-(6-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[3-[(Z)-(6-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide","","COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)OCC(=O)NC4=NC5=C(S4)CCCC5)O2","RCFJRIASFJUXDF-MTJSOVHGSA-N","45028679",NA,"PDBC17682","743691","Present"
-"2-[3-[1-(3,6-Dihydro-2H-pyridin-1-yl)cyclohexyl]phenoxy]acetonitrile;methanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[3-[1-(3,6-Dihydro-2H-pyridin-1-yl)cyclohexyl]phenoxy]acetonitrile; methanesulfonic acid","","CS(=O)(=O)O.C1CCC(CC1)(C2=CC(=CC=C2)OCC#N)N3CCC=CC3","XYXNTZSSLAKKFJ-UHFFFAOYSA-N","398099",NA,"PDBC17683","707464","Present"
-"2-[3-[1-(4-Chlorophenyl)-1-methyl-3-oxo-isoindolin-2-yl]propyl]isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[3-[1-(4-Chlorophenyl)-1-methyl-3-oxo-isoindolin-2-yl]propyl]isoindoline-1,3-dione","","CC1(C2=CC=CC=C2C(=O)N1CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl","UEOYGPOGBFKUCM-UHFFFAOYSA-N","395648",NA,"PDBC17684","700430","Present"
-"2-[3-[2-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]oxyethoxyamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide","","","","","","","","","","","","","","","","","","","","2-[3-[2-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]oxyethoxyamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide","","C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNOCCONCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br","KAYJZXOGLLKVOQ-UHFFFAOYSA-N","397639",NA,"PDBC17685","706001","Present"
-"2-[3-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide","","","","","","","","","","","","","","","","","","","","2-[3-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide","","C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNCCCNCCCCNCCCNCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br","QZXKAVHAVUXMDZ-UHFFFAOYSA-N","397641",NA,"PDBC17686","706002","Present"
-"2-[3-[4,6-Bis[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]-1,3,5-triazin-2-yl]-5-(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol","","","","","","","","","","","","","","","","","","","","2-[3-[4,6-Bis[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]-1,3,5-triazin-2-yl]-5-(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol","","C1N(CN(CN1CCO)C2=NC(=NC(=N2)N3CN(CN(C3)CCO)CCO)N4CN(CN(C4)CCO)CCO)CCO","IMCJZNOJBJNQPD-UHFFFAOYSA-N","384053",NA,"PDBC17687","673172","Present"
-"2-[3-[4,6-Bis[3-(2-hydroxyethyl)-1,3-diazetidin-1-yl]-1,3,5-triazin-2-yl]-1,3-diazetidin-1-yl]ethanol","","","","","","","","","","","","","","","","","","","","2-[3-[4,6-Bis[3-(2-hydroxyethyl)-1,3-diazetidin-1-yl]-1,3,5-triazin-2-yl]-1,3-diazetidin-1-yl]ethanol","","C1N(CN1C2=NC(=NC(=N2)N3CN(C3)CCO)N4CN(C4)CCO)CCO","YNKOUMYYWLUZJS-UHFFFAOYSA-N","387275",NA,"PDBC17688","680926","Present"
-"2-[3-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl carbamate","","","","","","","","","","","","","","","","","","","","2-{3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl...","","C1=CC=C2C(=C1)C(=CN2CCOC(=O)N)C3=NC(=CS3)C4=CNC5=C4C=CC=N5","OVIJJYXVZNQWQT-UHFFFAOYSA-N","155807301",NA,"PDBC17689","789178","Present"
-"2-[3-[4-[2-[(4-Chloro-3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]-2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[3-[4-[2-[(4-Chloro-3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]-2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(SC(C4=O)CC(=O)O)C5=CC=CC=C5O)Cl","QAIUVIZFZVKINX-UHFFFAOYSA-N","402746",NA,"PDBC17690","716940","Present"
-"2-[3-[4-[2-[(4-Chloro-3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-5-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[3-[4-[2-[(4-Chloro-3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-5-yl]acetic acid","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(SC(C4=O)CC(=O)O)C5=CC=CS5)Cl","YFOMIXVKQFXFAD-UHFFFAOYSA-N","402747",NA,"PDBC17691","716941","Present"
-"2-[3-[4-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide","","","","","","","","","","","","","","","","","","","","2-[3-[4-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide","","C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNCCCCNCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br","VNYATEIBBXMKES-UHFFFAOYSA-N","397637",NA,"PDBC17692","706000","Present"
-"2-[3-[5-[3-(1H-Benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2,2'-[1,5-pentanediylbis(oxy-1,3-phenylene)]bis-1H-benzi...","","C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)OCCCCCOC4=CC=CC(=C4)C5=NC6=CC=CC=C6N5","QZPOASXCOYQSRX-UHFFFAOYSA-N","25255579",NA,"PDBC17693","741911","Present"
-"2-[3-[Bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)anilino]ethanol","","","","","","","","","","","","","","","","","","","","2-[3-[Bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)anilino]ethanol","","C1=CC(=CC(=C1)N(CCO)CCO)N(CCO)CCO","UFLNANCPKMWCDK-UHFFFAOYSA-N","361755",NA,"PDBC17694","625021","Present"
-"2-[3-[Cyano(phenyl)methyl]-4-hydroxy-6-iminoquinoxalin-2-yl]-2-phenylacetonitrile","","","","","","","","","","","","","","","","","","","","2-[3-[Cyano(phenyl)methyl]-4-hydroxy-6-iminoquinoxalin-2-yl]-2-phenylacetonitrile","","C1=CC=C(C=C1)C(C#N)C2=C(N(C3=CC(=N)C=CC3=N2)O)C(C#N)C4=CC=CC=C4","SUJPTDQYJVXQSS-UHFFFAOYSA-N","3556767",NA,"PDBC17695","621191","Present"
-"2-[3-[Cyano-(4-dimethylaminophenyl)methyl]-2-(4-dimethylaminophenyl)-1,3-diazinan-1-yl]-2-(4-dimethylaminophenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-[3-[Cyano-[4-(dimethylamino)phenyl]methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]-2-[4-(dimethylamino)phenyl]acetonitrile","","CN(C)C1=CC=C(C=C1)C2N(CCCN2C(C#N)C3=CC=C(C=C3)N(C)C)C(C#N)C4=CC=C(C=C4)N(C)C","QGASXWYQEWMZLX-UHFFFAOYSA-N","417755",NA,"PDBC17696","95025","Present"
-"2-[3-[Methyl-[2-[methyl-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethyl]amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[3-[Methyl-[2-[methyl-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethyl]amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride","","CN(CCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])CCN(C)CCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-].Cl","IGHUBFKZSFOTSM-UHFFFAOYSA-N","357369",NA,"PDBC17697","615802","Present"
-"2-[3-[[4-[(3-Nitroacridin-9-yl)amino]phenyl]sulfamoyl]propyl]guanidine hydrochloride","","","","","","","","","","","","","","","","","","","","1-Propanesulfonamide, 3-[(aminoiminomethyl)amino]-N-[4-[...","","C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NS(=O)(=O)CCCN=C(N)N.Cl","OPSGDYHBXKMPNO-UHFFFAOYSA-N","5351256",NA,"PDBC17698","177365","Present"
-"2-[4,10-Bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[4,10-Bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid","","C1CN(CCN(CCN(CCN1CCCN)CC(=O)O)CCCN)CC(=O)O","WWXSZLHRQUYCHA-UHFFFAOYSA-N","393882",NA,"PDBC17699","696843","Present"
-"2-[4,10-Bis[2-(4-benzyloxycarbonylpiperazin-1-yl)-2-oxo-ethyl]-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[7-(Carboxymethyl)-4,10-bis[2-oxo-2-(4-phenylmethoxycarbonylpiperazin-1-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid","","C1CN(CCN(CCN(CCN1CC(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)O)CC(=O)N4CCN(CC4)C(=O)OCC5=CC=CC=C5)CC(=O)O","WMENSNNJIDJSEH-UHFFFAOYSA-N","393892",NA,"PDBC17700","696852","Present"
-"2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methylo","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1","HDXIQHTUNGFJIC-KCNAIUQRSA-N","399999",NA,"PDBC17701","711181","Present"
-"2-[4,5-Dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[4,5-Dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide","","CC1=CC=C(C=C1)NN2C(=C(N=C2SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4)C)C","ZTQGSYDRVVTJAI-UHFFFAOYSA-N","54613544",NA,"PDBC17702","751269","Present"
-"2-[4,6-Bis(4-chlorophenyl)-3-cyano-6-methyl-1H-pyridin-2-yl]propanedinitrile;N-methylmethanamine","","","","","","","","","","","","","","","","","","","","2-[4,6-Bis(4-chlorophenyl)-3-cyano-6-methyl-1H-pyridin-2-yl]propanedinitrile;N-methylmethanamine","","CC1(C=C(C(=C(N1)C(C#N)C#N)C#N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.CNC","HRUZMRYJMRGNHI-UHFFFAOYSA-N","400103",NA,"PDBC17703","711595","Present"
-"2-[4,7,10-Tris(cyanomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[4,7,10-Tris(cyanomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetonitrile","","C1CN(CCN(CCN(CCN1CC#N)CC#N)CC#N)CC#N","GCADYWACTRNALY-UHFFFAOYSA-N","384585",NA,"PDBC17704","674598","Present"
-"2-[4,7-Bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","1H-1,4,7-Triazonine-1,4,7-triacetic acid, octahydro-","","C1CN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O","JHALWMSZGCVVEM-UHFFFAOYSA-N","124326",NA,"PDBC17705","696860","Present"
-"2-[4,7-Dimethoxy-2-(methoxymethyl)-1-methylbenzimidazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine","","","","","","","","","","","","","","","","","","","","2-[4,7-Dimethoxy-2-(methoxymethyl)-1-methylbenzimidazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine","","CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4OC)N=C(N5C)COC)OC","YMXYFXPXRJPITD-UHFFFAOYSA-N","6712703",NA,"PDBC17706","706841","Present"
-"2-[4,8,11-Tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[4,8,11-Tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetonitrile","","C1CN(CCN(CCCN(CCN(C1)CC#N)CC#N)CC#N)CC#N","SQXSRHSWQHQBQK-UHFFFAOYSA-N","384586",NA,"PDBC17707","674599","Present"
-"2-[4-(1,3-Dioxoisoindol-2-yl)-2-hydroxy-3-oxo-butyl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[4-(1,3-Dioxoisoindol-2-yl)-2-hydroxy-3-oxo-butyl]isoindole-1,3-dione","","C1=CC=C2C(=C1)C(=O)N(C2=O)CC(C(=O)CN3C(=O)C4=CC=CC=C4C3=O)O","ZJZYQKKDHFXIAM-UHFFFAOYSA-N","336575",NA,"PDBC17708","351351","Present"
-"2-[4-(1,3-Thiazol-4(5H)-one","","","","","","","","","","","","","","","","","","","","2-[4-(1,3-Benzothiazol-2-yl)phenyl]-1,3-thiazol-4(5H)-one","","C1C(=O)N=C(S1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3","SZPBKBSUZUCSSV-UHFFFAOYSA-N","24203819",NA,"PDBC17709","729677","Present"
-"2-[4-(1H-Benzo[d]imidazol-2-yl)phenyl]thiazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","2-[4-(1H-benzo[d]imidazol-2-yl)phenyl]thiazol-5(4H)-one","","C1C(=O)N=C(S1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","JXEQHOHKQCXZSI-UHFFFAOYSA-N","24203982",NA,"PDBC17710","730303","Present"
-"2-[4-(1H-Indol-2-yl)phenoxy]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(4-(1H-indol-2-yl) phenoxy)-N-(4-(N-(5-methylisoxazol-...","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)C4=CC5=CC=CC=C5N4","ZVLGSEPQHFCSCX-UHFFFAOYSA-N","56971246",NA,"PDBC17711","761939","Present"
-"2-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy]ethyl carbamimidothioate;hydrobromide","","","","","","","","","","","","","","","","","","","","2-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy]ethyl carbamimidothioate;hydrobromide","","CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCSC(=N)N.Br","HWCDAMGEQWVXFI-UHFFFAOYSA-N","54603487",NA,"PDBC17712","4482","Present"
-"2-[4-(2,4-Dioxopyrimidin-1-yl)butoxycarbonylamino]-5-ureido-pentanoic acid","","","","","","","","","","","","","","","","","","","","2-[4-(2,4-Dioxopyrimidin-1-yl)butoxycarbonylamino]-5-ureido-pentanoic acid","","C1=CN(C(=O)NC1=O)CCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","ZLTXAHQEDWHLQN-UHFFFAOYSA-N","391687",NA,"PDBC17713","691229","Present"
-"2-[4-(2-Aminophenyl)buta-1,3-diynyl]aniline","","","","","","","","","","","","","","","","","","","","2-[4-(2-Aminophenyl)buta-1,3-diynyl]aniline","","C1=CC=C(C(=C1)C#CC#CC2=CC=CC=C2N)N","ZGADPHGEVFIWAD-UHFFFAOYSA-N","2749742",NA,"PDBC17714","729466","Present"
-"2-[4-(2-Chloro-6-nitrophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine","","","","","","","","","","","","","","","","","","","","2-[4-(2-Chloro-6-nitrophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine","","C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO)[N+](=O)[O-]","XXEWYKRGVJSEOT-UHFFFAOYSA-N","9572199",NA,"PDBC17715","707042","Present"
-"2-[4-(2-Chlorophenyl)piperazin-1-yl]-N-(1, 6-dihydro-4H-cyclopenta[c]thien-4-yl)acetamide dihydrochloride","","","","","","","","","","","","","","","","","","","","2-[4-(2-Chlorophenyl)piperazin-1-yl]-N-(1,3-dibromo-6-ox...","","C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NC3CC(=O)C4=C(SC(=C34)Br)Br.Cl","YSKFPFSYSBYTML-UHFFFAOYSA-N","11628604",NA,"PDBC17716","737071","Present"
-"2-[4-(2-Diethylaminoethyloxy)phenyl]-5-nitro-benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","N-[4-(2-N,N-Diethylaminoethoxy)phenyl]-3-nitro-1,8-napht...","","CCN(CC)CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]","AOVDCRLGQWABSP-UHFFFAOYSA-N","386720",NA,"PDBC17717","679263","Present"
-"2-[4-(2-Methylpropyl)phenyl]-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]propan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[4-(2-Methylpropyl)phenyl]-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]propan-1-one;hydrochloride","","CC(C)CC1=CC=C(C=C1)C(C)C(=O)N2CCN(CC2)C=CC3=CC=CC=C3.Cl","UWAGMJQYTRAYNJ-IERUDJENSA-N","6516123",NA,"PDBC17718","626887","Present"
-"2-[4-(2-Phenyldiazenylhydrazinyl)phenyl]-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2-[4-(2-Phenyldiazenylhydrazinyl)phenyl]-1H-benzimidazole","","C1=CC=C(C=C1)N=NNNC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","BOKHXJODVGTZFE-UHFFFAOYSA-N","6712817",NA,"PDBC17719","715750","Present"
-"2-[4-(2-Piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one","","","","","","","","","","","","","","","","","","","","2-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-2,3-dihydro-1H-isoindol-1-one","","C1CCN(CC1)CCOC2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O","IZEPCBIRNCXTJM-UHFFFAOYSA-N","379542",NA,"PDBC17720","664218","Present"
-"2-[4-(3,3-Dimethyl-4-oxo-chroman-2-yl)piperazin-1-yl]-3,3-dimethyl-chroman-4-one","","","","","","","","","","","","","","","","","","","","2-[4-(3,3-Dimethyl-4-oxo-chroman-2-yl)piperazin-1-yl]-3,3-dimethyl-chroman-4-one","","CC1(C(OC2=CC=CC=C2C1=O)N3CCN(CC3)C4C(C(=O)C5=CC=CC=C5O4)(C)C)C","VGPSSCZRBLRGAG-UHFFFAOYSA-N","378277",NA,"PDBC17721","660233","Present"
-"2-[4-(3,3-Diphenyl-2-benzothiophen-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-3,5-diphenyl-3,4-dihydropyrazol-2-ium;perchlorate","","","","","","","","","","","","","","","","","","","","2-[4-(3,3-Diphenyl-2-benzothiophen-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-3,5-diphenyl-3,4-dihydropyrazol-2-ium;perchlorate","","C1C([N+](=C2C=CC(=C3C4=CC=CC=C4C(S3)(C5=CC=CC=C5)C6=CC=CC=C6)C=C2)N=C1C7=CC=CC=C7)C8=CC=CC=C8.[O-]Cl(=O)(=O)=O","KILCNALRVSZJAX-UHFFFAOYSA-M","24202444",NA,"PDBC17722","658177","Present"
-"2-[4-(3,4-Dimethoxyphenyl)phenyl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[4-(3,4-Dimethoxyphenyl)phenyl]acetic acid","","COC1=C(C=C(C=C1)C2=CC=C(C=C2)CC(=O)O)OC","PIQKLJNBCIDWGY-UHFFFAOYSA-N","366012",NA,"PDBC17723","634185","Present"
-"2-[4-(3-Chloro-2-cyanophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-(propan-2-ylideneamino)guanidine","","","","","","","","","","","","","","","","","","","","2-[4-(3-Chloro-2-cyanophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-(propan-2-ylideneamino)guanidine","","CC(=NNC(=NS(=O)(=O)C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)C#N)NC3=CC=C(C=C3)Cl)C","HMHLISKKNZKSRJ-UHFFFAOYSA-N","9572186",NA,"PDBC17724","706454","Present"
-"2-[4-(3-Chloro-2-cyanophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine","","","","","","","","","","","","","","","","","","","","2-[4-(3-Chloro-2-cyanophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine","","C1=CC(=C(C(=C1)Cl)C#N)OC2=CC=C(C=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","YNFOQKJXTTXGDW-UHFFFAOYSA-N","9572198",NA,"PDBC17725","707041","Present"
-"2-[4-(3-Chlorophenyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one","","","","","","","","","","","","","","","","","","","","2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-thiazol-4-one","","C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=O)CS3","TVXJRBKAPWAUED-UHFFFAOYSA-N","16044012",NA,"PDBC17726","735176","Present"
-"2-[4-(3-Ethyl-2,6-dioxo-3-piperidyl)phenyl]-5-nitro-benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","N-[4-Ethyl-2,6-piperidinedione)phenyl]-3-nitro-1,8-napht...","","CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]","ZYEWDZIBJWUOAY-UHFFFAOYSA-N","386723",NA,"PDBC17727","679266","Present"
-"2-[4-(3-Ethyl-2,6-dioxopiperidin-3-yl)phenyl]-5,6-dimethoxyisoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[4-(3-Ethyl-2,6-dioxopiperidin-3-yl)phenyl]-5,6-dimethoxy-1H-isoindole-1,3(2H)-dione","","CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N3C(=O)C4=CC(=C(C=C4C3=O)OC)OC","IJZDYZZLCBGYIV-UHFFFAOYSA-N","379355",NA,"PDBC17728","663901","Present"
-"2-[4-(3-Ethyl-2,6-dioxopiperidin-3-yl)phenyl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[4-(3-Ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1H-isoindole-1,3(2H)-dione","","CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O","JFDWFMLZMRVNIZ-UHFFFAOYSA-N","379356",NA,"PDBC17729","663902","Present"
-"2-[4-(3-Oxobenzo[f]chromen-2-yl)thiazol-2-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[4-(3-Oxobenzo[f]chromen-2-yl)thiazol-2-yl]acetonitrile","","C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CSC(=N4)CC#N","DXBYMNAELHZSJX-UHFFFAOYSA-N","389227",NA,"PDBC17730","684980","Present"
-"2-[4-(3-Thiophen-2-ylquinoxalin-2-yl)oxyphenyl]acetic acid","","","","","","","","","","","","","","","","","","","","{4-[(3-Thiophen-2-ylquinoxalin-2-yl)oxy]phenyl}acetic acid","","C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)CC(=O)O)C4=CC=CS4","XASQJAGGYCISIA-UHFFFAOYSA-N","401474",NA,"PDBC17731","715132","Present"
-"2-[4-(4,7-Dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)phenyl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[4-(4,7-Dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)phenyl]acetic acid","","C1=CC(=CC=C1CC(=O)O)N2C3=C(C(=O)NNC3=O)N=N2","ZUDGBFUHSIHDKS-UHFFFAOYSA-N","135463275",NA,"PDBC17732","679062","Present"
-"2-[4-(4,7-Dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)phenyl]propanoic acid","","","","","","","","","","","","","","","","","","","","2-[4-(4,7-Dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)phenyl]propanoic acid","","CC(C1=CC=C(C=C1)N2C3=C(C(=O)NNC3=O)N=N2)C(=O)O","JMYWCIDVJQKLDI-UHFFFAOYSA-N","135415740",NA,"PDBC17733","679064","Present"
-"2-[4-(4-Carbamoyl-1,3-thiazol-2-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethylphosphonic acid","","","","","","","","","","","","","","","","","","","","2-[4-(4-Carbamoyl-1,3-thiazol-2-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethylphosphonic acid","","CC1(OC2C(OC(C2O1)C3=NC(=CS3)C(=O)N)CCP(=O)(O)O)C","SOEARYYVKAIDJY-UHFFFAOYSA-N","338210",NA,"PDBC17734","359659","Present"
-"2-[4-(4-Hydroxy-3,3-dimethyl-chroman-2-yl)piperazin-1-yl]-3,3-dimethyl-chroman-4-ol","","","","","","","","","","","","","","","","","","","","2-[4-(4-Hydroxy-3,3-dimethyl-chroman-2-yl)piperazin-1-yl]-3,3-dimethyl-chroman-4-ol","","CC1(C(C2=CC=CC=C2OC1N3CCN(CC3)C4C(C(C5=CC=CC=C5O4)O)(C)C)O)C","ZSJUBUVTEVETSJ-UHFFFAOYSA-N","378276",NA,"PDBC17735","660232","Present"
-"2-[4-(4-Hydroxy-7-nitro-quinazolin-2-yl)phenyl]-7-nitro-quinazolin-4-ol","","","","","","","","","","","","","","","","","","","","4-Quinazolinol, 2,2'-(1,4-phenylene)bis[7-nitro-","","C1=CC(=CC=C1C2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2)C4=NC5=C(C=CC(=C5)[N+](=O)[O-])C(=O)N4","PQZIJTSPWAEBHJ-UHFFFAOYSA-N","135444540",NA,"PDBC17736","633493","Present"
-"2-[4-(4-Naphthalen-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanamine","","","","","","","","","","","","","","","","","","","","2-(4-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperazin-1-yl)e...","","C1CN(CCN1CCN)C2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3","KDJLRDILZFGAGY-UHFFFAOYSA-N","25216468",NA,"PDBC17737","800391","Present"
-"2-[4-(4-Oxochromen-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-[4-(4-Oxochromen-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one","","C1CN(CCN1C2=CC(=O)N3C=CC=CC3=N2)C4=CC(=O)C5=CC=CC=C5O4","FSBZDDLUXFKIGG-UHFFFAOYSA-N","387313",NA,"PDBC17738","681026","Present"
-"2-[4-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)butoxycarbonylamino]-5-ureido-pentanoic acid","","","","","","","","","","","","","","","","","","","","2-[4-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)butoxycarbonylamino]-5-ureido-pentanoic acid","","CC1=CN(C(=O)NC1=O)CCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","PAERVKSUFFNGJW-UHFFFAOYSA-N","391691",NA,"PDBC17739","691233","Present"
-"2-[4-(5-Oxo-3-phenyl-4H-pyrazol-1-yl)phenyl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[4-(5-Oxo-3-phenyl-4H-pyrazol-1-yl)phenyl]acetic acid","","C1C(=NN(C1=O)C2=CC=C(C=C2)CC(=O)O)C3=CC=CC=C3","WARDKRJMUSXGNI-UHFFFAOYSA-N","353211",NA,"PDBC17740","600761","Present"
-"2-[4-(6-Hexyl-7-hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[4-(6-Hexyl-7-hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)CC#N)O","RSSBBYHZNXTGIN-UHFFFAOYSA-N","5466312",NA,"PDBC17741","684981","Present"
-"2-[4-(7-Chloroquinolin-4-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","{2-[4-(7-chloro-quinolin-4-yl)-piperazin-1-yl]-pyrimidin...","","COC1=CC=C(C=C1)NC2=NC(=NC=C2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl","DHRUHFKMGQMOEI-UHFFFAOYSA-N","117827306",NA,"PDBC17742","771769","Present"
-"2-[4-(7-Chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid","","","","","","","","","","","","","","","","","","","","NSC697887///XK-469S","","CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl","NUQZXROIVGBRGR-UHFFFAOYSA-N","148183",NA,"PDBC17743","697887///698216","Present"
-"2-[4-(7-Hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[4-(7-Hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile","","C1=CC2=C(C=C1O)OC(=O)C(=C2)C3=CSC(=N3)CC#N","IHGHQLNYOLXWNA-UHFFFAOYSA-N","5466311",NA,"PDBC17744","684979","Present"
-"2-[4-(9-Fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol","","","","","","","","","","","","","","","","","","","","2-[4-(9-Fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol","","C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)[N+](=O)[O-]","SYZQQZSBHCAWAX-UHFFFAOYSA-N","354028",NA,"PDBC17745","603976","Present"
-"2-[4-(Carboxymethyl)-1,4,7,10-tetrazabicyclo[5.5.5]heptadecan-10-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[4-(Carboxymethyl)-1,4,7,10-tetrazabicyclo[5.5.5]heptadecan-10-yl]acetic acid","","C1CCN2CCN(CCN(CC1)CCN(CC2)CC(=O)O)CC(=O)O","UPJIPCWEISIMQC-UHFFFAOYSA-N","393887",NA,"PDBC17746","696847","Present"
-"2-[4-(Carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","1H-1,4,7-Triazonine-1,4-diacetic acid, octahydro-","","C1CN(CCN(CCN1)CC(=O)O)CC(=O)O","WBRUPBYQJCBBBL-UHFFFAOYSA-N","393901",NA,"PDBC17747","696862","Present"
-"2-[4-(Chloromethyl)phenyl]-1,3-dioxolane","","","","","","","","","","","","","","","","","","","","A818317","","C1COC(O1)C2=CC=C(C=C2)CCl","OSJJDHULSJSNFE-UHFFFAOYSA-N","357878",NA,"PDBC17748","617412","Present"
-"2-[4-(Diethylamino)anilino]-1,2-diphenylethanone;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC3628","","CCN(CC)C1=CC=C(C=C1)NC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Cl","AXWZXWBCRCIVNG-UHFFFAOYSA-N","24185366",NA,"PDBC17749","3628","Present"
-"2-[4-(Diethylamino)benzylidene]-7-nitro-3,4-dihydro-1(2H)-naphthalenone","","","","","","","","","","","","","","","","","","","","1(2H)-Naphthalenone, 2-[[4-(diethylamino)phenyl]methylen...","","CCN(CC)C1=CC=C(C=C1)C=C2CCC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]","CWMQDTJZFNUOEC-GHRIWEEISA-N","1008484",NA,"PDBC17750","665351","Present"
-"2-[4-(Dimethylamino)phenyl]-3-[2-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-[4-(Dimethylamino)phenyl]-3-[2-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one","","CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=C(C=C7)N(C)C","AEFVIBMEMPNIPL-UHFFFAOYSA-N","398512",NA,"PDBC17751","708423","Present"
-"2-[4-(Dimethylamino)phenyl]quinolin-4(1h)-one","","","","","","","","","","","","","","","","","","","","2-[4-(Dimethylamino)phenyl]quinolin-4(1h)-one","","CN(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3N2","JCICERHEBLRBAF-UHFFFAOYSA-N","375358",NA,"PDBC17752","654982","Present"
-"2-[4-(Fluoro)anilino]-3-phenyl-5,7-diaminoquinoxaline","","","","","","","","","","","","","","","","","","","","2-[4-(fluoro)anilino]-3-phenyl-5,7-diaminoquinoxaline","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NC4=CC=C(C=C4)F)N)N","NIUYHJHZOHMWPP-UHFFFAOYSA-N","24204260",NA,"PDBC17753","731130","Present"
-"2-[4-(Fluoro)benzylamino]-3-phenyl-5,7-diaminoquinoxaline","","","","","","","","","","","","","","","","","","","","2-[4-(fluoro)benzylamino]-3-phenyl-5,7-diaminoquinoxaline","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NCC4=CC=C(C=C4)F)N)N","ZTKRLJYHHPMLPZ-UHFFFAOYSA-N","24204261",NA,"PDBC17754","731131","Present"
-"2-[4-(Fluoro)phenylthio]-3-phenyl-5,7-diamino quinoxaline","","","","","","","","","","","","","","","","","","","","2-[4-(fluoro)phenylthio]-3-phenyl-5,7-diamino quinoxaline","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2SC4=CC=C(C=C4)F)N)N","PIMCSCGGODKORC-UHFFFAOYSA-N","24204257",NA,"PDBC17755","731127","Present"
-"2-[4-(Methoxy)anilino]-3-phenyl-5,7-diammino quinoxaline","","","","","","","","","","","","","","","","","","","","2-[4-(methoxy)anilino]-3-phenyl-5,7-diammino quinoxaline","","COC1=CC=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","AAFHHXQPWZUDFK-UHFFFAOYSA-N","405137",NA,"PDBC17756","722174","Present"
-"2-[4-(Methoxy)anilino]-6,8-diamino quinoxaline","","","","","","","","","","","","","","","","","","","","2-[4-(methoxy)anilino]-6,8-diamino quinoxaline","","COC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3N=C2)N)N","NNPSCCQILJDCPL-UHFFFAOYSA-N","24203446",NA,"PDBC17757","728039","Present"
-"2-[4-(Methoxy)phenoxy]-3-phenyl-5,7-diamminoquinoxaline","","","","","","","","","","","","","","","","","","","","2-[4-(methoxy)phenoxy]-3-phenyl-5,7-diamminoquinoxaline","","COC1=CC=C(C=C1)OC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","LZKMWNMQYDZUOZ-UHFFFAOYSA-N","404586",NA,"PDBC17758","720935","Present"
-"2-[4-(Methoxy)phenyltio]-3-phenyl-5,7-diamino quinoxaline","","","","","","","","","","","","","","","","","","","","2-[4-(methoxy)phenyltio]-3-phenyl-5,7-diamino quinoxaline","","COC1=CC=C(C=C1)SC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","YAMJDKJAVOJLBD-UHFFFAOYSA-N","24203447",NA,"PDBC17759","728040","Present"
-"2-[4-(Phosphonomethyl)-1,4,7-triazonan-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","1H-1,4,7-Triazonine-1-acetic acid, 4-[(dihydroxyphosphor...","","C1CN(CCN(CCN1)CP(=O)(O)O)CC(=O)O","NUYHUEQNAUHXQL-UHFFFAOYSA-N","393906",NA,"PDBC17760","696867","Present"
-"2-[4-(p-Chlorobenzylidenamino)]phenyl benzimidazole","","","","","","","","","","","","","","","","","","","","2-[4-(p-chlorobenzylidenamino)]phenyl benzimidazole","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","JJMHJKDRFJIONP-UHFFFAOYSA-N","405570",NA,"PDBC17761","722938","Present"
-"2-[4-Amino-5-[8-[4-amino-5-(2-hydroxy-6-methyl-phenyl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]-3-methyl-phenol","","","","","","","","","","","","","","","","","","","","2-[4-Amino-5-[8-[4-amino-5-(2-hydroxy-6-methylphenyl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]-3-methylphenol","","CC1=C(C(=CC=C1)O)C2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)C4=C(C=CC=C4O)C","GBJZBRLWYWTCOH-UHFFFAOYSA-N","382825",NA,"PDBC17762","670561","Present"
-"2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-oxopropanenitrile","","","","","","","","","","","","","","","","","","","","2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-oxopropanenitrile","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(C#N)C(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O","WDMGOZATLXAKQR-UHFFFAOYSA-N","397033",NA,"PDBC17763","704315","Present"
-"2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]acetonitrile","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CC#N","DKIGVDDXYMFRIQ-UHFFFAOYSA-N","393948",NA,"PDBC17764","696920","Present"
-"2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2-[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1h-pyrazol-1-yl)-1,3,5-triazin-2-yl]benzenesulfonamide","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C3=CC=CC=C3S(=O)(=O)N","MKKRGJFDYSAQCQ-UHFFFAOYSA-N","400693",NA,"PDBC17765","713048","Present"
-"2-[4-Amino-6-(5-ethyl-4-methyl-4,3,5-triazin-2-yl]-2-{[4-dimethylamino)phenyl]imino}acetoni trile","","","","","","","","","","","","","","","","","","","","2-[4-amino-6-(5-ethyl-4-methyl-4,5-dihydro-1H-pyrazol-1-...","","CCC1C(C=NN1C2=NC(=NC(=N2)N)C(=NC3=CC=C(C=C3)N(C)C)C#N)C","FUVLRLMIEPJXAP-UHFFFAOYSA-N","11610533",NA,"PDBC17766","729115","Present"
-"2-[4-Anilino-3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]anilino]-3-chloronaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-[4-Anilino-3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]anilino]-3-chloronaphthalene-1,4-dione","","C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","JWSHRKNXFSJWEV-UHFFFAOYSA-N","413256",NA,"PDBC17767","45739","Present"
-"2-[4-Chloro(phenylsulfonyl)anilino]acetic acid","","","","","","","","","","","","","","","","","","","","CBMicro_013626","","C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)Cl","DINSNNGAGBNQJM-UHFFFAOYSA-N","362737",NA,"PDBC17768","626992","Present"
-"2-[4-Chloro-5-(4-chlorophenylcarbamoyl)-2-mercaptobenzenesul fonyl]-3,1-dioxo-2H-1,2,4,6-thiatriazine","","","","","","","","","","","","","","","","","","","","2-[4-Chloro-5-(4-chlorophenylcarbamoyl)-2-mercaptobenzen...","","C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3C(=O)NC(=O)NS3(=O)=O)Cl","PCUWVXIPZZKUPB-UHFFFAOYSA-N","23624974",NA,"PDBC17769","734046","Present"
-"2-[4-Chloro-5-(4-methylphenylcarbamoyl)-2-mercaptobenzenesul fonyl]-3,1-dioxo-2H-1,2,4,6-thiatriazine","","","","","","","","","","","","","","","","","","","","2-[4-Chloro-5-(4-methylphenylcarbamoyl)-2-mercaptobenzen...","","CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3C(=O)NC(=O)NS3(=O)=O","HFCRRYILZFMBOQ-UHFFFAOYSA-N","23625135",NA,"PDBC17770","734045","Present"
-"2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1,2,4-triazine-3,5-dione","","C1=NN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)F)O","AZHFVWNFBZUDHA-UHFFFAOYSA-N","389399",NA,"PDBC17771","685467","Present"
-"2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione","","CC1=NN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)F)O","PERXHQJPMWDAFE-UHFFFAOYSA-N","389398",NA,"PDBC17772","685466","Present"
-"2-[4-Methyl-3,5-di(propan-2-yl)phenoxy]ethanol","","","","","","","","","","","","","","","","","","","","2-[4-Methyl-3,5-di(propan-2-yl)phenoxy]ethanol","","CC1=C(C=C(C=C1C(C)C)OCCO)C(C)C","HLADDIWNVFORTK-UHFFFAOYSA-N","348820",NA,"PDBC17773","408301","Present"
-"2-[4-[(2E)-2-[5-(4-Bromophenyl)dithiol-3-ylidene]-2-[[(1E)-1-[5-(4-bromophenyl)dithiol-3-ylidene]-2-[4-(carboxymethyloxy)-2,3-dichloro-phenyl]-2-oxo-ethyl]disulfanyl]acetyl]-2,3-dichloro-phenoxy]acetic acid","","","","","","","","","","","","","","","","","","","","2-(4-(2-(5-(4-bromophenyl)-3H-1,2-dithiol-3-yl)-2-((1-(5...","","C1=CC(=CC=C1C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=C(C=C5)Br)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2)Br","CFGGOWFXJVIRMZ-RIGUPBQNSA-N","3000384",NA,"PDBC17774","641281","Present"
-"2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(2-methylphenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(2-methylphenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid","","","","","","","","","","","","","","","","","","","","Disulfide, bis[1-[5-(2-methylphenyl)-3H-1,2-dithiole- 3-...","","CC1=CC=CC=C1C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=CC=C5C)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2","USTZDWIBEMKHEZ-NXRKLTDKSA-N","3000387",NA,"PDBC17775","641285","Present"
-"2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethyloxy)-2,3-dichloro-phenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxo-ethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid","","","","","","","","","","","","","","","","","","","","2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic a","","C1=CC(=CC=C1C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=C(C=C5)F)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2)F","ALWDXTSKOJXXNH-RIGUPBQNSA-N","3000383",NA,"PDBC17776","641283","Present"
-"2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethyloxy)-2,3-dichloro-phenyl]-1-[5-(m-tolyl)dithiol-3-ylidene]-2-oxo-ethyl]disulfanyl]-2-[5-(m-tolyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid","","","","","","","","","","","","","","","","","","","","2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(3-methylphenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(3-methylphenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic a","","CC1=CC(=CC=C1)C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=CC(=C5)C)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2","BVYDMAWCWJHUAI-NXRKLTDKSA-N","3000388",NA,"PDBC17777","641282","Present"
-"2-[4-[(2Z)-2-(2-Oxooxolan-3-ylidene)hydrazinyl]phenyl]sulfonylguanidine","","","","","","","","","","","","","","","","","","","","2-[4-[(2Z)-2-(2-Oxooxolan-3-ylidene)hydrazinyl]phenyl]sulfonylguanidine","","C1COC(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)N=C(N)N","LOLNFYQUHDUQSL-DHDCSXOGSA-N","9572347",NA,"PDBC17778","712430","Present"
-"2-[4-[(4E,8E)-4,8-Dimethyl-11-thiophen-3-ylundeca-4,8-dienyl]piperazin-1-yl]ethanol","","","","","","","","","","","","","","","","","","","","2-(4-(-4,8-dimethyl-11-(thiophen-3-yl)undeca-4,8-dien-1-...","","CC(=CCCC(=CCCC1=CSC=C1)C)CCCN2CCN(CC2)CCO","CRGLEXRRLZVEGL-JEPCQTPVSA-N","155808397",NA,"PDBC17779","773160","Present"
-"2-[4-[(9E)-7-(4,4-Dimethylcyclohexyl)sulfonyl-9-hydroxyiminofluoren-2-yl]sulfonylpiperazin-1-yl]-5-fluorophenol","","","","","","","","","","","","","","","","","","","","(E/Z)-2-((4,4-dimethylcyclohexyl)sulfonyl)-7-((4-(4-fluo...","","CC1(CCC(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)N5CCN(CC5)C6=C(C=C(C=C6)F)O)C","CVBRQWNGZNXYHR-KKYHWDRJSA-N","145284742",NA,"PDBC17780","789645","Present"
-"2-[4-[(E)-(4-Oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[4-[(E)-(4-Oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","C1C(=CC2=CC=C(C=C2)OCC(=O)NC3=NC=CS3)C(=O)C4=CC=CC=C4O1","LEOKKXPXZWEDBA-RVDMUPIBSA-N","45028758",NA,"PDBC17781","744063","Present"
-"2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethanamine","","","","","","","","","","","","","","","","","","","","2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethanamine","","C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=C(C=C3)OCCN","OVBAZEUSCRGDKY-QURGRASLSA-N","5466857",NA,"PDBC17782","644617","Present"
-"2-[4-[(E)-3-Oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[4-[(E)-3-Oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]acetonitrile","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CC=C(C=C2)OCC#N","QJDQGDGYXMOBSA-RMKNXTFCSA-N","5467696",NA,"PDBC17783","657879","Present"
-"2-[4-[(E)-[4-(2-Benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","Ethanol, 2,2'-[[3-methyl-4-[[[4-[5-methyl-2-(phenylmethy...","","CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=C(SC(=N3)CC4=CC=CC=C4)C","PCMRUMCRHVAFDB-UHFFFAOYSA-N","322935",NA,"PDBC17784","281617","Present"
-"2-[4-[(Z)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[4-[(Z)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NC4=NC=CS4)O2","HVKINGHGICBSIM-BOPFTXTBSA-N","45028623",NA,"PDBC17785","743504","Present"
-"2-[4-[(Z)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[4-[(Z)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide","","C1CCC2=C(C1)N=C(S2)NC(=O)COC3=CC=C(C=C3)C=C4C(=O)C5=CC=CC=C5O4","YZIISIIPDQNDLO-MOSHPQCFSA-N","45028626",NA,"PDBC17786","743507","Present"
-"2-[4-[(Z)-(4-Oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[4-[(Z)-(4-Oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","C1C(=CC2=CC=C(C=C2)OCC(=O)NC3=NC=CS3)C(=O)C4=CC=CC=C4S1","GSODYGVZSYBGDW-RVDMUPIBSA-N","45028765",NA,"PDBC17787","744070","Present"
-"2-[4-[(Z)-(5-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[4-[(Z)-(5-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide","","COC1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)OCC(=O)NC4=NC=CS4)C2=O","KRKKKJWBZCKTLR-ZDLGFXPLSA-N","45028683",NA,"PDBC17788","743695","Present"
-"2-[4-[(Z)-4-[4-[2-(Diethylamino)ethoxy]phenyl]hex-3-en-3-yl]phenoxy]-N,N-diethylethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[4-[(Z)-4-[4-[2-(Diethylamino)ethoxy]phenyl]hex-3-en-3-yl]phenoxy]-N,N-diethylethanamine;hydrochloride","","CCC(=C(CC)C1=CC=C(C=C1)OCCN(CC)CC)C2=CC=C(C=C2)OCCN(CC)CC.Cl","YYWVFGRKVNPMIQ-DHKWPOFJSA-N","54605975",NA,"PDBC17789","78325","Present"
-"2-[4-[1-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","2-[4-[1-chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCOS(=O)(=O)C)Cl)C","KCRALIOHJGSGMW-UHFFFAOYSA-N","370680",NA,"PDBC17790","644056","Present"
-"2-[4-[2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N1-(2-methyl-1,3-benzothiazol-5-yl)-2-(4-(2-(1,3-dioxo-2...","","CC1=NC2=C(S1)C=CC(=C2)NC(=O)CN3CCN(CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","XKPMKFPTWBDYSC-UHFFFAOYSA-N","155810069",NA,"PDBC17791","761421","Present"
-"2-[4-[2-(Diethylamino)ethoxy]phenyl]-3H-isoindol-1-one","","","","","","","","","","","","","","","","","","","","2-{4-[2-(Diethylamino)ethoxy]phenyl}-2,3-dihydro-1H-isoindol-1-one","","CCN(CC)CCOC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O","FOWLVLBCUKWFSZ-UHFFFAOYSA-N","379543",NA,"PDBC17792","664219","Present"
-"2-[4-[2-(Diethylamino)ethoxy]phenyl]-5,6-dimethoxy-3H-isoindol-1-one","","","","","","","","","","","","","","","","","","","","2-{4-[2-(Diethylamino)ethoxy]phenyl}-5,6-dimethoxy-2,3-dihydro-1H-isoindol-1-one","","CCN(CC)CCOC1=CC=C(C=C1)N2CC3=CC(=C(C=C3C2=O)OC)OC","XNYGJNRMGZPDPC-UHFFFAOYSA-N","379545",NA,"PDBC17793","664221","Present"
-"2-[4-[2-(Diethylamino)ethoxy]phenyl]-5,6-dimethoxyisoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-{4-[2-(Diethylamino)ethoxy]phenyl}-5,6-dimethoxy-1H-isoindole-1,3(2H)-dione","","CCN(CC)CCOC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)OC)OC","HHPFCROYRZYMFD-UHFFFAOYSA-N","379547",NA,"PDBC17794","664223","Present"
-"2-[4-[2-(Hydroxyamino)-2-oxo-ethyl]cuban-1-yl]ethanehydroxamic acid","","","","","","","","","","","","","","","","","","","","2-[4-[2-(Hydroxyamino)-2-oxo-ethyl]cuban-1-yl]ethanehydroxamic acid","","C(C(=O)NO)C12C3C4C1C5C2C3C45CC(=O)NO","ZNRDYIDCRYPVEN-UHFFFAOYSA-N","373487",NA,"PDBC17795","649894","Present"
-"2-[4-[2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenoxy]-N,N-dimethylethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[4-[2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenoxy]-N,N-dimethylethanamine;hydrochloride","","CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OCCN(C)C.Cl","KWEWXVOGZOTSOM-UHFFFAOYSA-N","370877",NA,"PDBC17796","644613","Present"
-"2-[4-[3-(1,3-Dioxoisoindol-2-yl)propoxyamino]butyl]isoindole-1,3-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[4-[3-(1,3-Dioxoisoindolin-2-yl)propoxyamino]butyl]isoindoline-1,3-dione hydrochloride","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCNOCCCN3C(=O)C4=CC=CC=C4C3=O.Cl","NXAACGALHDNFHC-UHFFFAOYSA-N","396604",NA,"PDBC17797","703112","Present"
-"2-[4-[3-(4-Methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-5-methyl-2-phenyl-pyrazol-3-yl]-5-methyl-phenol","","","","","","","","","","","","","","","","","","","","2-[4-[3-(4-Methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-5-methyl-2-phenylpyrazol-3-yl]-5-methylphenol","","CC1=CC(=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C)C4=NN(C(C4)C5=CC=C(C=C5)OC)C6=CC=CC=C6)O","CBMCEBBIEASKKH-UHFFFAOYSA-N","390886",NA,"PDBC17798","688997","Present"
-"2-[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]ethyl-trimethylazanium","","","","","","","","","","","","","","","","","","","","2-[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]ethyl-trimethylazanium","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)C(CC2=CC=C(C=C2)OCC[N+](C)(C)C)NC(=O)OC(C)(C)C","ZLDPJFBIUFFIKL-UHFFFAOYSA-O","6712835",NA,"PDBC17799","716688","Present"
-"2-[4-[4-(Diaminomethylideneamino)phenyl]phenyl]guanidine;sulfuric acid","","","","","","","","","","","","","","","","","","","","2,2'-Biphenyl-4,4'-diyldiguanidine sulfate(1:1)","","C1=CC(=CC=C1C2=CC=C(C=C2)N=C(N)N)N=C(N)N.OS(=O)(=O)O","IYKWCEFBGQSXBK-UHFFFAOYSA-N","227281",NA,"PDBC17800","18758","Present"
-"2-[4-[4-[4-(1H-Benzimidazol-2-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol","","","","","","","","","","","","","","","","","","","","2-(4-{4-[4-(1H-Benzoimidazol-2-yl)-phenylamino]-1H-pyraz...","","C1CN(CCN1CCO)C2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","IFBCRQXCMUYDPN-UHFFFAOYSA-N","155812293",NA,"PDBC17801","788162","Present"
-"2-[4-[5-(4-Bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-(4-chlorophenyl)pyrimidin-2-yl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[4-[5-(4-Bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-(4-chlorophenyl)pyrimidin-2-yl]isoindole-1,3-dione","","C1C(N(N=C1C2=CC=C(C=C2)Br)C3=NC(=NC(=C3)C4=CC=C(C=C4)Cl)N5C(=O)C6=CC=CC=C6C5=O)C7=CC=CC=C7","DXFCIEQQZXYMCG-UHFFFAOYSA-N","403760",NA,"PDBC17802","719179","Present"
-"2-[4-[5-(5-Methyl-2-thienyl)pentoxy]phenyl]-4,5-dihydrooxazole","","","","","","","","","","","","","","","","","","","","2-[4-[5-(5-Methyl-2-thienyl)pentoxy]phenyl]-4,5-dihydrooxazole","","CC1=CC=C(S1)CCCCCOC2=CC=C(C=C2)C3=NCCO3","GNOSMNWVRJWWKC-UHFFFAOYSA-N","388877",NA,"PDBC17803","684105","Present"
-"2-[4-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxo-1H-pyrimidin-3-yl]phenyl]ethyl N-[6-[2-[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]phenyl]ethoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","2-[4-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxo-1H-pyrimidin-3-yl]phenyl]ethyl N-[6-[2-[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]phenyl]ethoxycarbonylamino]hexyl]carbamate","","CCOC(=O)NC(=O)C1=CNC(=O)N(C1=O)C2=CC=C(C=C2)CCOC(=O)NCCCCCCNC(=O)OCCC3=CC=C(C=C3)N4C=C(C(=O)NC4=O)C(=O)NC(=O)OCC","KUADTTNKPAYYML-UHFFFAOYSA-N","364731",NA,"PDBC17804","631389","Present"
-"2-[4-[5-[4-(1H-Benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2,2'-[1,5-pentanediylbis(oxy-1,4-phenylene)]bis-1H-benzi...","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)OCCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","FVYHAXWUPTYOAP-UHFFFAOYSA-N","25010379",NA,"PDBC17805","741910","Present"
-"2-[4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]acetamide","","","","","","","","","","","","","","","","","","","","2-{4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl}acetamide","","C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)CC(=O)N","VIBUXZUSJCKGQQ-UHFFFAOYSA-N","403200",NA,"PDBC17806","717855","Present"
-"2-[4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethanol","","","","","","","","","","","","","","","","","","","","2-{4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl}ethanol","","C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)CCO","LEGSSGGTYDVSBG-UHFFFAOYSA-N","403198",NA,"PDBC17807","717853","Present"
-"2-[4-[9-(4-Sulfamoylanilino)acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","2-[4-[9-(4-Sulfamoylanilino)acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","CS(=O)(=O)OCCN1CCN(CC1)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N","CQIGRWNKHVGXNG-UHFFFAOYSA-N","370671",NA,"PDBC17808","644047","Present"
-"2-[4-[9-[4-(Carbamimidoylsulfamoyl)anilino]-1-chloro-acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","2-[4-[1-Chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","CS(=O)(=O)OCCN1CCN(CC1)C(=O)C2=CC=C(C3=C(C4=CC=CC=C4N=C23)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N)Cl","FZVCPDPLVXNUEJ-UHFFFAOYSA-N","370679",NA,"PDBC17809","644055","Present"
-"2-[4-[9-[4-(Carbamimidoylsulfamoyl)anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","2-[4-[9-[4-(Carbamimidoylsulfamoyl)anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","CS(=O)(=O)OCCN1CCN(CC1)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","ZHXGKOSHQAJFSQ-UHFFFAOYSA-N","370673",NA,"PDBC17810","644049","Present"
-"2-[4-[9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","2-[4-[9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCOS(=O)(=O)C)C","BEMBRZQVNUDQQC-UHFFFAOYSA-N","370674",NA,"PDBC17811","644050","Present"
-"2-[4-[9-[4-[(5-Methylisoxazol-3-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","2-[4-[9-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCOS(=O)(=O)C","YGTNOSPAAUJZRC-UHFFFAOYSA-N","370672",NA,"PDBC17812","644048","Present"
-"2-[4-[Acetoxy(acetyl)amino]phenyl]benzothiazole","","","","","","","","","","","","","","","","","","","","2-[4-[Acetoxy(acetyl)amino]phenyl]benzothiazole","","CC(=O)N(C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)OC(=O)C","NIUPMRLCBYEXEE-UHFFFAOYSA-N","395430",NA,"PDBC17813","699968","Present"
-"2-[4-[Cyano(propylamino)methyl]phenyl]-2-(propylamino)acetonitrile","","","","","","","","","","","","","","","","","","","","2-[4-[Cyano(propylamino)methyl]phenyl]-2-(propylamino)acetonitrile","","CCCNC(C#N)C1=CC=C(C=C1)C(C#N)NCCC","IRPYMZCTDBCQBF-UHFFFAOYSA-N","387695",NA,"PDBC17814","681724","Present"
-"2-[4-[Cyano-(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","Benzeneacetonitrile, .alpha.,.alpha.'-(1,4-piperazinediy...","","C1CN(CCN1C(C#N)C2=CC=C(C=C2)O)C(C#N)C3=CC=C(C=C3)O","FBVIADFSDASDEA-UHFFFAOYSA-N","387703",NA,"PDBC17815","681732","Present"
-"2-[4-[Cyano-(phenethylamino)methyl]phenyl]-2-(phenethylamino)acetonitrile","","","","","","","","","","","","","","","","","","","","2-[4-[Cyano-(phenethylamino)methyl]phenyl]-2-(phenethylamino)acetonitrile","","C1=CC=C(C=C1)CCNC(C#N)C2=CC=C(C=C2)C(C#N)NCCC3=CC=CC=C3","DNHPLIAHQDAIEX-UHFFFAOYSA-N","387694",NA,"PDBC17816","681723","Present"
-"2-[4-[Tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]-N-methoxy-N-methylacetamide","","","","","","","","","","","","","","","","","","","","2-[4-[Tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]-N-methoxy-N-methylacetamide","","CC(C)(C)[Si](C)(C)OC1C(C(OC1N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC)CC(=O)N(C)OC","NYPBSVOEXWTKPG-UHFFFAOYSA-N","45028656",NA,"PDBC17817","743564","Present"
-"2-[4-[[2-(2,4-Dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-[4-[[2-(2,4-Dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1,3-benzothiazole","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=NNNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","VKWKUUIYUVVQTR-UHFFFAOYSA-N","6712854",NA,"PDBC17818","716952","Present"
-"2-[4-[[2-(2,4-Dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","2-[4-[[2-(2,4-Dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1H-benzimidazole","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NNNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","NDXHIBJFEHJULU-UHFFFAOYSA-N","6712853",NA,"PDBC17819","716951","Present"
-"2-[4-[[3-(10-Chloroanthracen-9-yl)-5-(2-methoxy-5-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-[4-[[3-(10-Chloroanthracen-9-yl)-5-(2-methoxy-5-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide","","CC1=CC(=C(C=C1)OC)N2C(=O)C3C(N(OC3C2=O)CC4=CC=C(C=C4)CC(=O)N)C5=C6C=CC=CC6=C(C7=CC=CC=C75)Cl","SXJXYJHWTUANAW-UHFFFAOYSA-N","402784",NA,"PDBC17820","717035","Present"
-"2-[4-[[3-(10-Methylanthracen-9-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-[4-[[3-(10-Methylanthracen-9-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide","","CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C4C5C(C(=O)N(C5=O)C6=CC=CC7=CC=CC=C76)ON4CC8=CC=C(C=C8)CC(=O)N","MSCQURKGRFNAES-UHFFFAOYSA-N","402792",NA,"PDBC17821","717043","Present"
-"2-[4-[[4-(1,3-Dioxoisoindol-2-yl)phenyl]methyl]phenyl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2,2'-(4,4'-methylenebis(4,1-phenylene))diisoindoline-1,3...","","C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CC4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O","LFVOAXPHCGOYJJ-UHFFFAOYSA-N","261847",NA,"PDBC17822","94820","Present"
-"2-[4-[[4-(2-Benzyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-3-chloro-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethanol, 2,2'-[[3-chloro-4-[[[4-[2-(phenylmethyl)-4-thia...","","CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)C=NC2=CC=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4)Cl.Cl","LDZFBZLOKUWRQT-UHFFFAOYSA-N","24194273",NA,"PDBC17823","166240","Present"
-"2-[4-[[5-(4-Methoxyphenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-[4-[[5-(4-Methoxyphenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide","","CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C4C5C(C(=O)N(C5=O)C6=CC=C(C=C6)OC)ON4CC7=CC=C(C=C7)CC(=O)N","HCYWFEUHLIXYRJ-UHFFFAOYSA-N","402791",NA,"PDBC17824","717042","Present"
-"2-[5'-Cyanospiro[acridine-9(10H),4'-thiazolidine]-2'-ylidene]malonic acid diethyl ester","","","","","","","","","","","","","","","","","","","","Diethyl 2-(5-cyanospiro[1,3-thiazolidine-4,9'-10H-acridine]-2-ylidene)propanedioate","","CCOC(=O)C(=C1NC2(C(S1)C#N)C3=CC=CC=C3NC4=CC=CC=C24)C(=O)OCC","NIOHIHRHOAEMPX-UHFFFAOYSA-N","399777",NA,"PDBC17825","710872","Present"
-"2-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3-nitro-2H-chromene","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran, 6-methoxy-3-nitro-2-[2,2,2',2'-tetramet...","","CC1(OCC(O1)C2C(OC(O2)(C)C)C3C(=CC4=C(O3)C=CC(=C4)OC)[N+](=O)[O-])C","XCSPWLQVNNIZQE-UHFFFAOYSA-N","358300",NA,"PDBC17826","618261","Present"
-"2-[5-(2,4-Dioxopyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid","","","","","","","","","","","","","","","","","","","","2-[5-(2,4-Dioxopyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid","","C1=CN(C(=O)NC1=O)CCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","ICOXREHZAPMOLI-UHFFFAOYSA-N","391688",NA,"PDBC17827","691230","Present"
-"2-[5-(2-Hydroxybenzoyl)-2-(2-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]chromeno[2,3-d]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","2-[5-(2-Hydroxybenzoyl)-2-(2-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]chromeno[2,3-d]pyrimidin-5-one","","C1=CC=C(C(=C1)C2=C(C=C(C(=O)N2)C(=O)C3=CC=CC=C3O)C4=NC=C5C(=O)C6=CC=CC=C6OC5=N4)O","DZVALTLNQFLCLH-UHFFFAOYSA-N","361917",NA,"PDBC17828","625352","Present"
-"2-[5-(2-Hydroxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methyl-1H-1,2,4-triazol-4-yl]-3-(1H-indol-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-(3-(4-methoxybenzylideneamino)-1,5-dihydro-5-(2-hydrox...","","CC1(NN=C(N1C(CC2=CNC3=CC=CC=C32)C(=O)O)N=CC4=CC=C(C=C4)OC)C5=CC=CC=C5O","FIWFQVTXTVFHNZ-OKCVXOCRSA-N","155816904",NA,"PDBC17829","794515","Present"
-"2-[5-(2-Thiophenaldehyde-5-yy)p-phenylene]benzoxazole","","","","","","","","","","","","","","","","","","","","2-[5-(2-Thiophenaldehyde-5-yy)p-phenylene]benzoxazole","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(S4)C=O","CHOSKXGIVHUCCC-UHFFFAOYSA-N","24203652",NA,"PDBC17830","729027","Present"
-"2-[5-(3-Bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-[5-(3-Bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol","","CC1=CC(=C(C=C1)O)C2=NNC(C2)C3=CC(=CC=C3)Br","ADMQPIIVPXZPMU-UHFFFAOYSA-N","403646",NA,"PDBC17831","718714","Present"
-"2-[5-(3-Chloro-4-methylphenyl)-3-[3-(4-methoxyphenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[5-(3-Chloro-4-methylphenyl)-3-[3-(4-methoxyphenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","CC1=C(C=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=CC(=CC=C5)OC6=CC=C(C=C6)OC)Cl","ZNWSSHCYORVNSX-UHFFFAOYSA-N","402788",NA,"PDBC17832","717039","Present"
-"2-[5-(3-Chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-[5-(3-Chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol","","CC1=CC(=C(C=C1)O)C2=NNC(C2)C3=CC(=CC=C3)Cl","ZERSIMSEHFTYKI-UHFFFAOYSA-N","403634",NA,"PDBC17833","718702","Present"
-"2-[5-(3-Hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[5-(3-Hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid","","C1=CC=C2C(=C1)C(=NC(C(=O)N2CC(=O)O)CC3=CC=C(C=C3)O)C4=CC(=CC=C4)O","MMHYOIONHMRDBH-UHFFFAOYSA-N","391758",NA,"PDBC17834","691343","Present"
-"2-[5-(3-Methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-3-yl]pyrazine","","","","","","","","","","","","","","","","","","","","2-[2-Cinnamyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]pyrazine","","COC1=CC=CC(=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC=CC4=CC=CC=C4","VZUSDZMVJPHHHA-RMKNXTFCSA-N","5921837",NA,"PDBC17835","656345","Present"
-"2-[5-(4-Bromo-2-chlorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[5-(4-Bromo-2-chlorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)C4C5C(C(=O)N(C5=O)C6=C(C=C(C=C6)Br)Cl)ON4C(C7=CC=CC=C7)C(=O)N","PNFNACFQVJUTPG-UHFFFAOYSA-N","402789",NA,"PDBC17836","717040","Present"
-"2-[5-(4-Bromophenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[5-(4-Bromophenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C4C5C(C(=O)N(C5=O)C6=CC=C(C=C6)Br)ON4C(C7=CC=CC=C7)C(=O)N","FBJNMZKOMXNOGE-UHFFFAOYSA-N","403574",NA,"PDBC17837","718598","Present"
-"2-[5-(4-Chlorobenzoyl)-10-methyl-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[5-(4-Chlorobenzoyl)-10-methyl-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid","","CN1C2=CC=CC=C2N(C(C3=CC=CN31)CC(=O)O)C(=O)C4=CC=C(C=C4)Cl","OPCGMOIVUPNJIJ-UHFFFAOYSA-N","370735",NA,"PDBC17838","644255","Present"
-"2-[5-(4-Chlorophenyl)-1-(4-nitrophenyl)triazol-4-yl]-1,4,5,6-tetrahydropyrimidine","","","","","","","","","","","","","","","","","","","","2-[5-(4-Chlorophenyl)-1-(4-nitrophenyl)triazol-4-yl]-1,4,5,6-tetrahydropyrimidine","","C1CNC(=NC1)C2=C(N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl","UUTSNIGSRGQIGQ-UHFFFAOYSA-N","371084",NA,"PDBC17839","645030","Present"
-"2-[5-(4-Chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate","","","","","","","","","","","","","","","","","","","","2-[5-(4-Chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate","","COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2C(=S)N=C(N2)C3=CC=C(C=C3)Cl","IMKZBGWMHGPYSU-UHFFFAOYSA-N","5471842",NA,"PDBC17840","714454","Present"
-"2-[5-(4-Chlorophenyl)furan-2-yl]-5-[2-[5-[5-(4-chlorophenyl)furan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-[5-(4-Chlorophenyl)furan-2-yl]-5-[2-[5-[5-(4-chlorophenyl)furan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-1,3,4-oxadiazole","","C1=CC(=CC=C1C2=CC=C(O2)C3=NN=C(O3)CCC4=NN=C(O4)C5=CC=C(O5)C6=CC=C(C=C6)Cl)Cl","RUVPWBHMDHPEES-UHFFFAOYSA-N","400828",NA,"PDBC17841","713334","Present"
-"2-[5-(4-Dimethylaminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol","","","","","","","","","","","","","","","","","","","","2-[5-(4-Dimethylaminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol","","CN(C)C1=CC=C(C=C1)C2CC(=NN2)C3=C(C4=CC=CC=C4C=C3)O","JVMLUKSHUAKZLI-UHFFFAOYSA-N","390445",NA,"PDBC17842","687799","Present"
-"2-[5-(4-Fluorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[5-(4-Fluorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)C4C5C(C(=O)N(C5=O)C6=CC=C(C=C6)F)ON4C(C7=CC=CC=C7)C(=O)N","PYGQPAHLOLRICV-UHFFFAOYSA-N","403573",NA,"PDBC17843","718597","Present"
-"2-[5-(4-Methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-[5-(4-Methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol","","COC1=CC=C(C=C1)NC2=NN=C(S2)C3=C(C=CC(=C3)O)O","OFWZJVYHRJOOLV-UHFFFAOYSA-N","135585492",NA,"PDBC17844","730708","Present"
-"2-[5-(4-Methoxyphenyl)-1-(4-nitrophenyl)triazol-4-yl]-1,4,5,6-tetrahydropyrimidine","","","","","","","","","","","","","","","","","","","","2-[5-(4-Methoxyphenyl)-1-(4-nitrophenyl)triazol-4-yl]-1,4,5,6-tetrahydropyrimidine","","COC1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=NCCCN4","WWVMFIGRYVIVEG-UHFFFAOYSA-N","371083",NA,"PDBC17845","645029","Present"
-"2-[5-(4-Methoxyphenyl)-4,6-dioxo-3-(4-phenylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[5-(4-Methoxyphenyl)-4,6-dioxo-3-(4-phenylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","COC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=CC=C(C=C5)C6=CC=CC=C6","WTMDVBRYNQYQJE-UHFFFAOYSA-N","403576",NA,"PDBC17846","718600","Present"
-"2-[5-(4-Methoxyphenyl)-4,6-dioxo-3-phenanthren-9-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[5-(4-Methoxyphenyl)-4,6-dioxo-3-phenanthren-9-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","COC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=CC6=CC=CC=C6C7=CC=CC=C75","APJOSNPABOIIJL-UHFFFAOYSA-N","402794",NA,"PDBC17847","717045","Present"
-"2-[5-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid","","","","","","","","","","","","","","","","","","","","2-[5-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid","","CC1=CN(C(=O)NC1=O)CCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","DYWFHRCBQCBQJQ-UHFFFAOYSA-N","391692",NA,"PDBC17848","691234","Present"
-"2-[5-(5-Pyridin-2-yl-1H-pyrazol-3-yl)-2H-pyrazol-3-yl]pyridine","","","","","","","","","","","","","","","","","","","","2-[5-(5-Pyridin-2-yl-1H-pyrazol-3-yl)-2H-pyrazol-3-yl]pyridine","","C1=CC=NC(=C1)C2=CC(=NN2)C3=NNC(=C3)C4=CC=CC=N4","LBEJULDBPRDNNA-UHFFFAOYSA-N","340685",NA,"PDBC17849","371706","Present"
-"2-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonyl-1-(4-chlorophenyl)guanidine","","","","","","","","","","","","","","","","","","","","2-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonyl-1-(4-chlorophenyl)guanidine","","C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N=C(N)NC3=CC=C(C=C3)Cl","DSJWKWKCHKVJLC-UHFFFAOYSA-N","9572210",NA,"PDBC17850","707401","Present"
-"2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]butyl N-[6-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]butoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]butyl N-[6-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]butoxycarbonylamino]hexyl]carbamate","","CCC(COC(=O)NCCCCCCNC(=O)OCC(CC)N1C=C(C(=O)NC1=O)C(=O)NC(=O)OCC)N2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","ULZNWXADHIQDMF-UHFFFAOYSA-N","364412",NA,"PDBC17851","630665","Present"
-"2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl N-[6-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl N-[6-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxycarbonylamino]hexyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCOC(=O)NCCCCCCNC(=O)OCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","ONNJHULUPMFCPC-UHFFFAOYSA-N","364413",NA,"PDBC17852","630666","Present"
-"2-[5-Amino-3-(4-chlorophenyl)-1H-pyrazole-1-yl]-3-phenylquinoxaline","","","","","","","","","","","","","","","","","","","","2-[5-Amino-3-(4-chlorophenyl)-1H-pyrazole-1-yl]-3-phenylquinoxaline","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2N4C(=CC(=N4)C5=CC=C(C=C5)Cl)N","OAQWBJHHZUPQEV-UHFFFAOYSA-N","400928",NA,"PDBC17853","713612","Present"
-"2-[5-Benzyl-3-[3-(4-chlorophenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[5-Benzyl-3-[3-(4-chlorophenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide","","C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=CC(=CC=C5)OC6=CC=C(C=C6)Cl","ODGAFOPGXYOVCA-UHFFFAOYSA-N","402787",NA,"PDBC17854","717038","Present"
-"2-[5-Chloro-2-(4-methylsulfonylphenyl)benzimidazol-1-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","(E)-N'-(4-methoxybenzylidene)-2-(5-chloro-2-(4-(methylsu...","","COC1=CC=C(C=C1)C=NNC(=O)CN2C3=C(C=C(C=C3)Cl)N=C2C4=CC=C(C=C4)S(=O)(=O)C","WORBZNSSGUYZOK-VULFUBBASA-N","155806447",NA,"PDBC17855","801882","Present"
-"2-[5-Cyano-2-methyl-2,4-bis[3-(trifluoromethyl)phenyl]-1,3-dihydropyridin-6-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[5-Cyano-2-methyl-2,4-bis[3-(trifluoromethyl)phenyl]-1,3-dihydropyridin-6-ylidene]propanedinitrile","","CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F","QOIPSHGTZXHMJJ-UHFFFAOYSA-N","400099",NA,"PDBC17856","711591","Present"
-"2-[5-Fluoro-1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-{2-[5-Fluoro-1-(3-piperidin-1-yl-propyl)-1H-indol-3-yl...","","C1CCN(CC1)CCCN2C=C(C3=C2C=CC(=C3)F)C4=NC(=CS4)C5=CNC6=C5C=CC=N6","QUJOQEPYFAIAHS-UHFFFAOYSA-N","155805926",NA,"PDBC17857","793989","Present"
-"2-[5-Hydroxy-6-[[(3S,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[5-Hydroxy-6-[[(3S,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthr","","CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O","BUKUSQLKVJHYMO-RATSMJFPSA-N","396686",NA,"PDBC17858","703212","Present"
-"2-[5-Methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-{2-[5-methoxy-1-(2-methoxyethyl)-1H-indol-3-yl]-1,3-th...","","COCCN1C=C(C2=C1C=CC(=C2)OC)C3=NC(=CS3)C4=CC5=C(N4)N=CC=C5","QVYRIXUKKQHBJC-UHFFFAOYSA-N","155815013",NA,"PDBC17859","783857","Present"
-"2-[5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]-5-(2,4,5-trichlorophenyl)-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-[5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]-5-(2,4,5-trichlorophenyl)-1,3,4-oxadiazole","","CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C4=NN=C(O4)C5=CC(=C(C=C5Cl)Cl)Cl","SVNZGDQNNBLTNV-UHFFFAOYSA-N","45027946",NA,"PDBC17860","740242","Present"
-"2-[5-Oxo-3-(p-tolylmethyl)-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[5-Oxo-3-(p-tolylmethyl)-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione","","CC1=CC=C(C=C1)CC2=NNC(=O)N2N3C(=O)C4=CC=CC=C4C3=O","LFIOOYWWRHBVOV-UHFFFAOYSA-N","390058",NA,"PDBC17861","686972","Present"
-"2-[5-[(5,6-Dihydro-1,3-dithiolo[4,5-b][1,4]dithiin)-2-ylidenemethyl]thiophen-2-ylmethylene]malononitrile","","","","","","","","","","","","","","","","","","","","2-[[5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidenemethyl)thiophen-2-yl]methylidene]propanedinitrile","","C1CSC2=C(S1)SC(=CC3=CC=C(S3)C=C(C#N)C#N)S2","LUBSUCOEWLYESD-UHFFFAOYSA-N","397600",NA,"PDBC17862","705941","Present"
-"2-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]guanidine;nitric acid","","","","","","","","","","","","","","","","","","","","2-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]guanidine;nitric acid","","COC1=CC(=C2C(=C1)C=CC=N2)NCCCCCN=C(N)N.[N+](=O)(O)[O-]","MFJALNWZUBAFAU-UHFFFAOYSA-N","24186907",NA,"PDBC17863","56633","Present"
-"2-[5-[1-(Benzenesulfonyl)indole-2-carbonyl]-3,4-dihydro-2H-pyridin-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[5-[1-(Benzenesulfonyl)indole-2-carbonyl]-3,4-dihydro-2H-pyridin-1-yl]acetic acid","","C1CC(=CN(C1)CC(=O)O)C(=O)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4","RUDGTWFVRLKSCO-UHFFFAOYSA-N","392291",NA,"PDBC17864","692425","Present"
-"2-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1","LRRDDWMXYOSKIC-NPCCIQSUSA-N","397889",NA,"PDBC17865","706804","Present"
-"2-[5-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenol","","","","","","","","","","","","","","","","","","","","2-[5-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenol","","C1C(ON=C1C2=CC=CC=C2O)C3=CC=C(C=C3)C(F)(F)F","BJDTVUPZFKWXAI-UHFFFAOYSA-N","397872",NA,"PDBC17866","706496","Present"
-"2-[5-[4-[2-[(Z)-[3-(4-Chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]ethyl]piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2[5(4-{2-[3-(4-Chloroanilino)-10-(4-chlorophenyl)-2,10-d...","","C1CN(CCN1CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCN=C5C=C6C(=NC7=CC=CC=C7N6C8=CC=C(C=C8)Cl)C=C5NC9=CC=C(C=C9)Cl","BNBFAURKDQRVMX-UHFFFAOYSA-N","5276681",NA,"PDBC17867","735466","Present"
-"2-[5-[5-(4,9-Dioxo-3a,9a-dihydro-1H-benzo[f]benzimidazol-2-yl)pentyldisulfanyl]pentyl]-3a,9a-dihydro-1H-benzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","2-[5-[5-(4,9-Dioxo-3a,9a-dihydro-1H-benzo[f]benzimidazol-2-yl)pentyldisulfanyl]pentyl]-3a,9a-dihydro-1H-benzo[f]benzimidazole-4,9-dione","","C1=CC=C2C(=C1)C(=O)C3C(C2=O)N=C(N3)CCCCCSSCCCCCC4=NC5C(N4)C(=O)C6=CC=CC=C6C5=O","UDMROSGADNIYNT-UHFFFAOYSA-N","400765",NA,"PDBC17868","713196","Present"
-"2-[6-(2,4-Dimethylphenoxy)hexylamino]ethanol","","","","","","","","","","","","","","","","","","","","NSC766672","","CC1=CC(=C(C=C1)OCCCCCCNCCO)C","ANYCHFNVJOZGEJ-UHFFFAOYSA-N","1987880",NA,"PDBC17869","766672","Present"
-"2-[6-(2,4-Dioxopyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid","","","","","","","","","","","","","","","","","","","","2-[6-(2,4-Dioxopyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid","","C1=CN(C(=O)NC1=O)CCCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","UTQRFJFFNFFSSG-UHFFFAOYSA-N","391689",NA,"PDBC17870","691231","Present"
-"2-[6-(3-Methylbut-2-enylamino)purin-9-yl]ethyl acetate","","","","","","","","","","","","","","","","","","","","1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-acetoxyeth...","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCOC(=O)C)C","BAJGOVYRRBKSBQ-UHFFFAOYSA-N","383740",NA,"PDBC17871","672178","Present"
-"2-[6-(4-Hydroxy-3-methoxy-benzylamino)-hexyl]-benzo[de]isoquinoline-1,3-dione para toluen sulphonate","","","","","","","","","","","","","","","","","","","","2-[6-(4-Hydroxy-3-methoxy-benzylamino)-hexyl]-benzo[de]i...","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=CC(=C1)CNCCCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)O","KCLMQUFSDNXPPR-UHFFFAOYSA-N","60147760",NA,"PDBC17872","752365","Present"
-"2-[6-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid","","","","","","","","","","","","","","","","","","","","2-[6-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid","","CC1=CN(C(=O)NC1=O)CCCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","UVESXBZNKCZENA-UHFFFAOYSA-N","391693",NA,"PDBC17873","691235","Present"
-"2-[6-(Azepan-1-yl)hexoxy]xanthen-9-one","","","","","","","","","","","","","","","","","","","","NSC794936","","C1CCCN(CC1)CCCCCCOC2=CC3=C(C=C2)OC4=CC=CC=C4C3=O","DTEPKYSLLWLWRZ-UHFFFAOYSA-N","155815003",NA,"PDBC17874","794936","Present"
-"2-[6-Amino-2-(2-aminoethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-[6-Amino-2-(2-aminoethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)SCCN)N","RAEXTPFFXQEBNA-UHFFFAOYSA-N","374640",NA,"PDBC17875","652619","Present"
-"2-[6-Amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-[6-Amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","C1=CC(=CC=C1CSC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-]","SJDUNWMKHAWRKZ-UHFFFAOYSA-N","374644",NA,"PDBC17876","652623","Present"
-"2-[6-Amino-2-[(E)-5-iodopent-4-enyl]sulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-[6-Amino-2-[(E)-5-iodopent-4-enyl]sulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)SCCCC=CI)N","DSXPZPGZXGRVAV-DUXPYHPUSA-N","5467462",NA,"PDBC17877","652616","Present"
-"2-[6-[(11S,13S,17S)-17-Hydroxy-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]hexylamino]ethyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, [3-[4-[bis(2-chloroethyl)amino]phenyl]pro...","","CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2O)CCCCCCNCCOC(=O)NCCCC5=CC=C(C=C5)N(CCCl)CCCl","NUVYGWMULLVQOM-YLUJQFMWSA-N","11274076",NA,"PDBC17878","733625","Present"
-"2-[6-[(E)-(4-Methoxyphenyl)methyleneamino]-7-oxo-3-phenyl-thiazolo[4,5-d]pyrimidin-2-ylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[6-[(E)-(4-Methoxyphenyl)methylideneamino]-7-oxo-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-ylidene]propanedinitrile","","COC1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)SC(=C(C#N)C#N)N3C4=CC=CC=C4","YFTOQWGTDWQDIG-LGJNPRDNSA-N","9571397",NA,"PDBC17879","652029","Present"
-"2-[6-[3-(1,3-Dioxoisoindol-2-yl)propoxyamino]hexyl]isoindole-1,3-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[6-[3-(1,3-Dioxoisoindolin-2-yl)propoxyamino]hexyl]isoindoline-1,3-dione hydrochloride","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCNOCCCN3C(=O)C4=CC=CC=C4C3=O.Cl","IAYXFWALXFBDSC-UHFFFAOYSA-N","396606",NA,"PDBC17880","703113","Present"
-"2-[6-[3-(Dimethylamino)propylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-[6-[3-(Dimethylamino)propylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","CN(C)CCCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O","XASZXEWGMGBOTD-UHFFFAOYSA-N","401214",NA,"PDBC17881","714418","Present"
-"2-[6-[[Cyano-(4-methoxyphenyl)methyl]amino]hexylamino]-2-(4-methoxyphenyl)acetonitrile","","","","","","","","","","","","","","","","","","","","2-[6-[[Cyano-(4-methoxyphenyl)methyl]amino]hexylamino]-2-(4-methoxyphenyl)acetonitrile","","COC1=CC=C(C=C1)C(C#N)NCCCCCCNC(C#N)C2=CC=C(C=C2)OC","NDJLUMWEIGSKMI-UHFFFAOYSA-N","387702",NA,"PDBC17882","681731","Present"
-"2-[7,10-Bis(carboxymethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[7,10-Bis(carboxymethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]acetic acid","","C1CN(CCNCCN(CCN(CCN1)CC(=O)O)CC(=O)O)CC(=O)O","OYWGOBQIISVBFJ-UHFFFAOYSA-N","393894",NA,"PDBC17883","696854","Present"
-"2-[7-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)-9H-fluoren-2-yl]-5,5-dimethyl-1,4-dihydroimidazole;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[7-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)-9H-fluoren-2-yl]-5,5-dimethyl-1,4-dihydroimidazole;hydrochloride","","CC1(CN=C(N1)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)C5=NCC(N5)(C)C)C.Cl","SEMOFAWLUJAWJY-UHFFFAOYSA-N","399687",NA,"PDBC17884","710605","Present"
-"2-[7-(Dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","","","","","","","","","","","","","","","","","","","2-[7-(Dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol","","CN(C)C1=NC=NC2=C1N=NN2C3C(C(C(O3)CO)O)O","JHZKUIUDOKIAQC-UHFFFAOYSA-N","280899",NA,"PDBC17885","133119","Present"
-"2-[7-Chloro-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]acetic acid","","","","","","","","","","","","","","","","","","","","1H-1,4-Benzodiazepine-1-acetic acid, 7-chloro-2,3-dihydr...","","C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=N3)CC(=O)O","OXHHEQHYXVTMEF-UHFFFAOYSA-N","292106",NA,"PDBC17886","157725","Present"
-"2-[7-Hydroxy-3-(4-nitrophenyl)-2-oxo-chromen-4-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[7-Hydroxy-3-(4-nitrophenyl)-2-oxo-chromen-4-yl]acetic acid","","C1=CC(=CC=C1C2=C(C3=C(C=C(C=C3)O)OC2=O)CC(=O)O)[N+](=O)[O-]","MAKZJFIXUTYOHC-UHFFFAOYSA-N","5465900",NA,"PDBC17887","667266","Present"
-"2-[7-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]heptylamino]cyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-[7-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]heptylamino]cyclohepta-2,4,6-trien-1-one","","C1=CC=C(C(=O)C=C1)NCCCCCCCNC2=CC=CC=CC2=O","GVFCKYHCSZYSGV-UHFFFAOYSA-N","358334",NA,"PDBC17888","618299","Present"
-"2-[7-[3-(Carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[7-[3-(Carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid","","CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=O)C=C(C3=O)C4=CC(=C5C(=C4O)C(=C6CC(OC(C6=C5O)C)CC(=O)O)O)O","ABKAAFBFNWYLHX-UHFFFAOYSA-N","325174",NA,"PDBC17889","293161","Present"
-"2-[7-[[4-(Carboxymethoxy)phenyl]methyl]-8-(carboxymethyl)-3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[7-[[4-(Carboxymethoxy)phenyl]methyl]-8-(carboxymethyl)-3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl]acetic acid","","CC1(CN(CC(N(CC(SS1)(C)C)CC(=O)O)CC2=CC=C(C=C2)OCC(=O)O)CC(=O)O)C","GUAXRXASPOPXSH-UHFFFAOYSA-N","398125",NA,"PDBC17890","707552","Present"
-"2-[8-(3-Chloropropylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[8-(3-Chloropropylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetic acid","","CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCl)CC(=O)O","UYKSMAVZJPYDBE-UHFFFAOYSA-N","392205",NA,"PDBC17891","692338","Present"
-"2-[8-(Carboxymethyl)-9-oxo-10-thia-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-yl]acetic acid","","","","","","","","","","","","","","","","","","","","2,2'-(2-Oxo-3,4-dihydro-2h-1,4-benzothiazine-3,3-diyl)diacetic acid","","C1=CC=C2C(=C1)NC(C(=O)S2)(CC(=O)O)CC(=O)O","COFQTUDFOWNJKX-UHFFFAOYSA-N","221258",NA,"PDBC17892","5620","Present"
-"2-[8-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]octylamino]cyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-[8-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]octylamino]cyclohepta-2,4,6-trien-1-one","","C1=CC=C(C(=O)C=C1)NCCCCCCCCNC2=CC=CC=CC2=O","UKGMYLQCXMOFOY-UHFFFAOYSA-N","358333",NA,"PDBC17893","618298","Present"
-"2-[8-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]octyl]benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[8-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]octyl]benzo[de]isoquinoline-1,3-dione","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","VDZXPJZMHRNYNA-QHCPKHFHSA-N","403719",NA,"PDBC17894","719121","Present"
-"2-[9-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]nonylamino]cyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-[9-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]nonylamino]cyclohepta-2,4,6-trien-1-one","","C1=CC=C(C(=O)C=C1)NCCCCCCCCCNC2=CC=CC=CC2=O","LDVBSTOUEDMXDV-UHFFFAOYSA-N","358331",NA,"PDBC17895","618296","Present"
-"2-[?]ylpropane-1,3-diol","","","","","","","","","","","","","","","","","","","","2-[?]ylpropane-1,3-diol","","C1=CC2=C3C(=C1)C(C4=CC=CC(=C43)C=C2)C(CO)CO","LOJTUXVIMRBCTL-UHFFFAOYSA-N","362064",NA,"PDBC17896","625586","Present"
-"2-[Acetyl(ethoxycarbonyl)methylene]-4-ethoxycarbonyl-thiazolidine","","","","","","","","","","","","","","","","","","","","2-[Acetyl(ethoxycarbonyl)methylene]-4-ethoxycarbonyl- th...","","CCOC(=O)C1CSC(=N1)C(=C(C)O)C(=O)OCC","MDENZMWBVQTRSH-INTFFVIUSA-N","135499226",NA,"PDBC17897","645064","Present"
-"2-[Aminomethyl(hydroxy)phosphoryl]oxyacetic acid","","","","","","","","","","","","","","","","","","","","2-[Aminomethyl(hydroxy)phosphoryl]oxyacetic acid","","C(C(=O)O)OP(=O)(CN)O","VHONJDGVQUEKFW-UHFFFAOYSA-N","363965",NA,"PDBC17898","629502","Present"
-"2-[Benzhydryl-[2-(cyclohexen-1-yl)ethyl]amino]-3-(2-bromophenyl)propanenitrile","","","","","","","","","","","","","","","","","","","","2-[Benzhydryl-[2-(1-cyclohexenyl)ethyl]amino]-3-(2-bromophenyl)propanenitrile","","C1CCC(=CC1)CCN(C(CC2=CC=CC=C2Br)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4","SKSMRZIESOZWHA-UHFFFAOYSA-N","394083",NA,"PDBC17899","697221","Present"
-"2-[Benzhydryl-[2-(cyclohexen-1-yl)ethyl]amino]-3-phenylpropanenitrile","","","","","","","","","","","","","","","","","","","","2-[Benzhydryl-[2-(1-cyclohexenyl)ethyl]amino]-3-phenyl-propanenitrile","","C1CCC(=CC1)CCN(C(CC2=CC=CC=C2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4","DSERYKOZATXRRZ-UHFFFAOYSA-N","394084",NA,"PDBC17900","697222","Present"
-"2-[Benzoyl(ethoxycarbonyl)methylene)-4-ethoxycarbonyl-thiazolidine","","","","","","","","","","","","","","","","","","","","2-[Benzoyl(ethoxycarbonyl)methylene)-4-ethoxycarbonyl- t...","","CCOC(=O)C1CSC(=N1)C(=C(C2=CC=CC=C2)O)C(=O)OCC","DOIBVXGOZNLSGA-JOLOJFPGSA-N","135499225",NA,"PDBC17901","645063","Present"
-"2-[Benzoyl(ethoxycarbonyl)methylene]-imidazolidine","","","","","","","","","","","","","","","","","","","","2-[Benzoyl(ethoxycarbonyl)methylene]-imidazolidine","","CCOC(=O)C(=C(C1=CC=CC=C1)O)C2=NCCN2","TUSKUKHNOXQVAK-QXMHVHEDSA-N","135499220",NA,"PDBC17902","645056","Present"
-"2-[Benzoyl(phenethyl)amino]propanenitrile","","","","","","","","","","","","","","","","","","","","2-[Benzoyl(phenethyl)amino]propanenitrile","","CC(C#N)N(CCC1=CC=CC=C1)C(=O)C2=CC=CC=C2","KSEDPOQAVMKGJT-UHFFFAOYSA-N","387707",NA,"PDBC17903","681736","Present"
-"2-[Benzyl(methyl)carbamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","NE42089","","CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)O","WGSQJWQUCKPCSI-UHFFFAOYSA-N","359327",NA,"PDBC17904","620112","Present"
-"2-[Benzyl(pent-3-ynyl)amino]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[Benzyl(pent-3-ynyl)amino]acetonitrile","","CC#CCCN(CC#N)CC1=CC=CC=C1","APAMQABRNQDOSM-UHFFFAOYSA-N","394603",NA,"PDBC17905","698183","Present"
-"2-[Benzyl-[2-(cyclohexen-1-yl)ethyl]amino]-3-phenylpropanenitrile","","","","","","","","","","","","","","","","","","","","2-[Benzyl-[2-(1-cyclohexenyl)ethyl]amino]-3-phenyl-propanenitrile","","C1CCC(=CC1)CCN(CC2=CC=CC=C2)C(CC3=CC=CC=C3)C#N","DMYKAXORBKIWGM-UHFFFAOYSA-N","394085",NA,"PDBC17906","697223","Present"
-"2-[Benzylthio-4-chloro-5-(4-chlorophenylcarbamoyl)benzenesul fonyl]-3-methylamino-1-(5-nitrothenylidene)guanidine","","","","","","","","","","","","","","","","","","","","2-[Benzylthio-4-chloro-5-(4-chlorophenylcarbamoyl)benzen...","","CNNC(=NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)Cl)SCC3=CC=CC=C3)N=CC4=CC=C(S4)[N+](=O)[O-]","ZHZSLUOGWFCHMQ-IBBHUPRXSA-N","11763828",NA,"PDBC17907","728507","Present"
-"2-[Bis(2-chloroethyl)aminomethyl]-4-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[Bis(2-chloroethyl)aminomethyl]-4-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride","","C=CCC1=C(C(=CC(=C1)C2=CC(=C(C(=C2)CN(CCCl)CCCl)O)CC=C)CN(CCCl)CCCl)O.Cl","RJTVSFIITKMNEI-UHFFFAOYSA-N","24182498",NA,"PDBC17908","17275","Present"
-"2-[Bis(4-chlorophenyl)methyl]pyridine","","","","","","","","","","","","","","","","","","","","2-[Bis(4-chlorophenyl)methyl]pyridine","","C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","YDSKKNWLDQNTTA-UHFFFAOYSA-N","297163",NA,"PDBC17909","167945","Present"
-"2-[Bis(4-fluorophenyl)methoxy]-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","2-[Bis(4-fluorophenyl)methoxy]-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone;(Z)-but-2-enedioic acid","","C1CN(CCN1CCCC2=CC=CC=C2)C(=O)COC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O","HISUINWLMNAXNT-BTJKTKAUSA-N","5471945",NA,"PDBC17910","715541","Present"
-"2-[Bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[Bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride","","COC1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=C(C=C2)OC.Cl","IVULZAPOTGUOOX-UHFFFAOYSA-N","54609840",NA,"PDBC17911","67479","Present"
-"2-[Bis(4-methylphenyl)methylideneamino]guanidine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[Bis(4-methylphenyl)methylideneamino]guanidine;hydrochloride","","CC1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=C(C=C2)C.Cl","OLJPWEXJNBNEHQ-UHFFFAOYSA-N","54599910",NA,"PDBC17912","67480","Present"
-"2-[Bis(hydroxymethyl)amino]ethanol","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[bis(hydroxymethyl)amino]- (9CI)","","C(CO)N(CO)CO","LQOUIUASQQPAGR-UHFFFAOYSA-N","357051",NA,"PDBC17913","614808","Present"
-"2-[Bis(phosphonatomethyl)amino]acetate;(1R,2S)-cyclohexane-1,2-diamine;platinum(2+)","","","","","","","","","","","","","","","","","","","","cis-Cyclohexane-1,2-diamine[bis(phosphonatomethyl)- amin...","","C1CCC(C(C1)N)N.C(C(=O)[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Pt+2]","QQWRQQYEDIYECD-RUTFAPCESA-I","24202203",NA,"PDBC17914","632614","Present"
-"2-[Bis[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[Bis[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid","","C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCN(CCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)CC(=O)O","VOAULNVCTYOJJN-UHFFFAOYSA-N","384664",NA,"PDBC17915","674709","Present"
-"2-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione","","","","","","","","","","","","","","","","","","","","2-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione","","CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N(C)CCBr)N(C)CCBr","WBKAOUSYPULUSP-UHFFFAOYSA-N","403577",NA,"PDBC17916","718630","Present"
-"2-[Carboxymethyl(ethyl)amino]acetic acid","","","","","","","","","","","","","","","","","","","","(ETHYLIMINO)DIACETIC ACID","","CCN(CC(=O)O)CC(=O)O","QHHFAXFIUXRVSI-UHFFFAOYSA-N","219585",NA,"PDBC17917","1042","Present"
-"2-[Carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)cyclohexyl]amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[Carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)cyclohexyl]amino]acetic acid","","C1CCC(C(C1)N2CC(=O)OC(=O)C2)N(CC(=O)O)CC(=O)O","NSQGXKOADTYGJA-UHFFFAOYSA-N","384587",NA,"PDBC17918","674600","Present"
-"2-[Cyano(ethoxycarbonyl)methylene]-4-ethoxycarbonyl-oxazolidine","","","","","","","","","","","","","","","","","","","","2-[Cyano(ethoxycarbonyl)methylene]-4-ethoxycarbonyl- oxa...","","CCOC(=O)C1COC(=C(C#N)C(=O)OCC)N1","SABCFEKSIXKNFG-INTFFVIUSA-N","5466895",NA,"PDBC17919","645066","Present"
-"2-[Di(ethoxycarbonyl)methylene]-4-ethoxycarbonyl-thiazolidine","","","","","","","","","","","","","","","","","","","","2-[Di(ethoxycarbonyl)methylene]-4-ethoxycarbonyl- thiazo...","","CCOC(=O)C1CSC(=C(C(=O)OCC)C(=O)OCC)N1","WBZMUIWKYUSFSI-QMMMGPOBSA-N","371118",NA,"PDBC17920","645065","Present"
-"2-[Dibutyl-(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-stannyl]oxycyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-[Dibutyl-(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-stannyl]oxycyclohepta-2,4,6-trien-1-one","","","","",NA,"PDBC17921","644924","Present"
-"2-[Dichloro(pyrazin-2-yl)methyl]benzonitrile","","","","","","","","","","","","","","","","","","","","2-[Dichloro(pyrazin-2-yl)methyl]benzonitrile","","C1=CC=C(C(=C1)C#N)C(C2=NC=CN=C2)(Cl)Cl","JAQHQMKDUWBYMI-UHFFFAOYSA-N","366228",NA,"PDBC17922","634564","Present"
-"2-[Difluoro(1H-imidazol-2-ylsulfanyl)methyl]-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","2-[Difluoro(1H-imidazol-2-ylsulfanyl)methyl]-1,3-benzoxazole","","C1=CC=C2C(=C1)N=C(O2)C(F)(F)SC3=NC=CN3","CILHCUUDIPODTO-UHFFFAOYSA-N","391717",NA,"PDBC17923","691257","Present"
-"2-[Difluoro(phenylsulfanyl)methyl]-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","2-[Difluoro(phenylsulfanyl)methyl]-1,3-benzoxazole","","C1=CC=C(C=C1)SC(C2=NC3=CC=CC=C3O2)(F)F","RCJXSAIMCBBJAM-UHFFFAOYSA-N","391715",NA,"PDBC17924","691255","Present"
-"2-[Difluoro(pyrimidin-2-ylsulfanyl)methyl]-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","2-[Difluoro(pyrimidin-2-ylsulfanyl)methyl]-1,3-benzoxazole","","C1=CC=C2C(=C1)N=C(O2)C(F)(F)SC3=NC=CC=N3","CHKAYUQQMBQSBU-UHFFFAOYSA-N","391719",NA,"PDBC17925","691259","Present"
-"2-[Difluoro-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]methyl]-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","2-[Difluoro-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]methyl]-1,3-benzoxazole","","CN1C=NN=C1SC(C2=NC3=CC=CC=C3O2)(F)F","UUQHJQVUCAKLBH-UHFFFAOYSA-N","391720",NA,"PDBC17926","691260","Present"
-"2-[Diisopropoxyphosphorylmethyl(isopropoxy)phosphoryl]oxypropane; tribromo(methyl)stannane","","","","","","","","","","","","","","","","","","","","2-[Diisopropoxyphosphorylmethyl(isopropoxy)phosphoryl]oxypropane; tribromo(methyl)stannane","","CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C.C[Sn](Br)(Br)Br","BXWFZXBMWIOGFJ-UHFFFAOYSA-K","371344",NA,"PDBC17927","645565","Present"
-"2-[Formyl(hydroxy)amino]acetic acid;nickel","","","","","","","","","","","","","","","","","","","","2-[Formyl(hydroxy)amino]acetic acid;nickel","","C(C(=O)O)N(C=O)O.[Ni]","GWVCOQAQPBRDJZ-UHFFFAOYSA-N","422601",NA,"PDBC17928","145384","Present"
-"2-[Hydroxy(phenyl)methyl]-N,N-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]dodecan-1-aminium chloride","","","","","","","","","","","","","","","","","","","","2-[Hydroxy(phenyl)methyl]-N,N-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]dodecan-1-aminium chloride","","CCCCCCCCCCC(C[N+](C)(C)CC=CC1=CC=CC=C1)C(C2=CC=CC=C2)O.[Cl-]","BBWWFHNKOMNRNG-GOSREXKOSA-M","24183021",NA,"PDBC17929","22994","Present"
-"2-[Hydroxy(pyridin-2-yl)methyl]-5-methylbenzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-[Hydroxy(pyridin-2-yl)methyl]-5-methylbenzene-1,4-diol","","CC1=CC(=C(C=C1O)C(C2=CC=CC=N2)O)O","GUBATRMIVDTBKK-UHFFFAOYSA-N","385592",NA,"PDBC17930","676889","Present"
-"2-[Hydroxy-(2-nitrophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[Hydroxy(2-nitrophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one hydrochloride","","CN1C2CCC1C(C(=O)C2)C(C3=CC=CC=C3[N+](=O)[O-])O.Cl","PGZKCQOEUPLQJW-UHFFFAOYSA-N","401851",NA,"PDBC17931","715557","Present"
-"2-[Hydroxy-(4-sulfophenyl)methyl]-1-methylene-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-[Hydroxy-(4-sulfophenyl)methyl]-1-methylene-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid","","C=C1C2=C(CC(N1C(C3=CC=C(C=C3)S(=O)(=O)O)O)C(=O)O)C4=CC=CC=C4N2","CXHFAVSXOZLSOX-UHFFFAOYSA-N","364070",NA,"PDBC17932","629709","Present"
-"2-[Hydroxy-[2-(naphthalene-2-carbonylamino)ethoxy]phosphoryl]oxyethyl-trimethyl-ammonium","","","","","","","","","","","","","","","","","","","","2-[(Naphthalen-2-ylcarbonyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate","","C[N+](C)(C)CCOP(=O)([O-])OCCNC(=O)C1=CC2=CC=CC=C2C=C1","OKRAYHKBTSNJCG-UHFFFAOYSA-N","380330",NA,"PDBC17933","665857","Present"
-"2-[Hydroxy-[hydroxy-[[5-(4-imino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-phosphoryl]oxyethyl-trimethyl-ammonium","","","","","","","","","","","","","","","","","","","","[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl] phosphate","","C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OCC1CCC(O1)N2C=CC(=NC2=O)N","NZCQWOIOZLKJHJ-UHFFFAOYSA-N","357507",NA,"PDBC17934","616791","Present"
-"2-[Methoxy(methyl)amino]ethene-1,1,2-tricarbonitrile","","","","","","","","","","","","","","","","","","","","2-[Methoxy(methyl)amino]ethene-1,1,2-tricarbonitrile","","CN(C(=C(C#N)C#N)C#N)OC","LUZNNGPNPWKRFI-UHFFFAOYSA-N","379209",NA,"PDBC17935","663620","Present"
-"2-[Methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-5-nitro-benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[Methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-5-nitro-benzo[de]isoquinoline-1,3-dione","","CN(CC1=CC(=C(C(=C1)OC)OC)OC)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]","ROPHIZOMXOPURD-UHFFFAOYSA-N","383384",NA,"PDBC17936","671555","Present"
-"2-[N'-(2-Hydroxy-benzylidene)-hydrazino]-3-phenyl-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-[N'-(2-Hydroxy-benzylidene)-hydrazino]-3-phenyl-3H-quinazolin-4-one","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NN=CC4=CC=CC=C4O","YOFALMLXFIWTON-HYARGMPZSA-N","135411821",NA,"PDBC17937","666354","Present"
-"2-[N-(2-Methylsulfonyloxyethyl)-4-[(E)-[4-[2-(phenoxymethyl)thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","Ethanol, 2,2'-[[4-[[[4-[2-(phenoxymethyl)-4-thiazolyl]ph...","","CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CSC(=N3)COC4=CC=CC=C4","XLLDEPOMEUPDBU-UHFFFAOYSA-N","322463",NA,"PDBC17938","280074","Present"
-"2-[N-(4-Phenylazophenylthiocarbamoyl)]-benzoic acid","","","","","","","","","","","","","","","","","","","","2-[N-(4-Phenylazophenylthiocarbamoyl)]-benzoic acid","","C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)SC3=CC=CC=C3C(=O)O","SGEMJGRKIQHCTC-UHFFFAOYSA-N","363907",NA,"PDBC17939","629295","Present"
-"2-[N-(4-Phenylazophenylthiocarbamoyl)]-propanoic acid","","","","","","","","","","","","","","","","","","","","2-[N-(4-Phenylazophenylthiocarbamoyl)]-propanoic acid","","CC(C(=O)O)SC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2","BTLZOCHJGPCZEV-UHFFFAOYSA-N","363908",NA,"PDBC17940","629296","Present"
-"2-[Tert-butyl(diphenyl)silyl]oxy-4-(triphenyl-lambda5-phosphanylidene)pentan-3-one","","","","","","","","","","","","","","","","","","","","2-[Tert-butyl(diphenyl)silyl]oxy-4-(triphenyl-lambda5-phosphanylidene)pentan-3-one","","CC(C(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C","IDQPQEIKHBHGKG-UHFFFAOYSA-N","357886",NA,"PDBC17941","617420","Present"
-"2-[Tert-butyl(methyl)carbamoyl]cubane-1,3,5,7-tetracarboxylic acid","","","","","","","","","","","","","","","","","","","","2-[Tert-butyl(methyl)carbamoyl]cubane-1,3,5,7-tetracarboxylic acid","","CC(C)(C)N(C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)O)C(=O)O)C(=O)O)C(=O)O","ZEPFVKBECFBXLF-UHFFFAOYSA-N","386914",NA,"PDBC17942","679815","Present"
-"2-[Tert-butyl(methyl)carbamoyl]cubane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-[Tert-butyl(methyl)carbamoyl]cubane-1-carboxylic acid","","CC(C)(C)N(C)C(=O)C12C3C4C1C5C4C3C25C(=O)O","DBVSKLGRBWLFAS-UHFFFAOYSA-N","369211",NA,"PDBC17943","640917","Present"
-"2-[Tris(4-methoxyphenyl)methylsulfanyl]ethanol","","","","","","","","","","","","","","","","","","","","2-[Tris(4-methoxyphenyl)methylsulfanyl]ethanol","","COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)SCCO","KDSJTBWSUOVMRF-UHFFFAOYSA-N","401183",NA,"PDBC17944","714384","Present"
-"2-[[(1-Methyl-1H-imidazole-2-yl)thio]difluoromethyl]benzoxazole","","","","","","","","","","","","","","","","","","","","2-[[(1-Methyl-1H-imidazole-2-yl)thio]difluoromethyl]benzoxazole","","CN1C=CN=C1SC(C2=NC3=CC=CC=C3O2)(F)F","AHRGVPMJJOFONL-UHFFFAOYSA-N","391718",NA,"PDBC17945","691258","Present"
-"2-[[(1-Methyl-1H-tetrazole-5-yl)thio]difluoromethyl]benzoxazole","","","","","","","","","","","","","","","","","","","","2-[[(1-Methyl-1H-tetrazole-5-yl)thio]difluoromethyl]benzoxazole","","CN1C(=NN=N1)SC(C2=NC3=CC=CC=C3O2)(F)F","SRYYCBMUQSFIOA-UHFFFAOYSA-N","391721",NA,"PDBC17946","691261","Present"
-"2-[[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]amino]ethanol","","C(CO)NC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","IKEHHZJSTQEECQ-XQRVVYSFSA-N","3004949",NA,"PDBC17947","665089","Present"
-"2-[[(1S,2S,4R)-2-Benzylsulfanyl-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-6-methylpyridine","","","","","","","","","","","","","","","","","","","","2-{[(1s,2s,4r)-2-(Benzylsulfanyl)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]methyl}-6-methylpyridine","","CC1=NC(=CC=C1)CC2(C(C3CCC2(C3)C)(C)C)SCC4=CC=CC=C4","SOJRMMPXQXUKCQ-FGCOXFRFSA-N","400144",NA,"PDBC17948","711638","Present"
-"2-[[(1S,5R)-1,5-Dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethanol","","","","","","","","","","","","","","","","","","","","2-[[(1S,5R)-1,5-Dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethanol","","CC1CCC2C(=C)C(OC3C24C1CCC(O3)(OO4)C)OCCO","YPWTVAGOIFEWNG-CIZRTWFWSA-N","45027785",NA,"PDBC17949","711175","Present"
-"2-[[(1S,5S,8Z,12S,20S)-13-Phenoxycarbonyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyn-5-yl]oxy]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[(1S,5S,8Z,12S,20S)-13-Phenoxycarbonyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyn-5-yl]oxy]acetic acid","","C1CC2(C#CC=CC#CC3C4(C1)C2(O4)C5=CC=CC=C5N3C(=O)OC6=CC=CC=C6)OCC(=O)O","WSZVTRXCFBRSSY-BKJHRCCMSA-N","54604782",NA,"PDBC17950","677586","Present"
-"2-[[(1Z,3E)-4-(Benzotriazol-1-yl)-1,2-dichloro-4-(4-ethoxyanilino)-3-nitrobuta-1,3-dienyl]amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[[(1Z,3E)-4-(Benzotriazol-1-yl)-1,2-dichloro-4-(4-ethoxyanilino)-3-nitrobuta-1,3-dienyl]amino]ethanol","","CCOC1=CC=C(C=C1)NC(=C(C(=C(NCCO)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","BLEKUQRNIUGZQT-XPWSMXQVSA-N","5470201",NA,"PDBC17951","698380","Present"
-"2-[[(2,6-Dimethylphenyl)carbamothioylamino]methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[[(2,6-Dimethylphenyl)carbamothioylamino]methylene]propanediamide","","CC1=C(C(=CC=C1)C)NC(=S)NC=C(C(=O)N)C(=O)N","OCQPLQLGWYPZRZ-UHFFFAOYSA-N","3004553",NA,"PDBC17952","658331","Present"
-"2-[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]amino]benzoic acid","","","","",NA,"PDBC17953","628572","Present"
-"2-[[(2-Aminobenzoyl)oxy-dioctyl-stannyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[[(2-Aminobenzoyl)oxy-dioctyl-stannyl]amino]benzoic acid","","","","",NA,"PDBC17954","633506","Present"
-"2-[[(2-Pyridinyl)thio]difluoromethyl]benzoxazole","","","","","","","","","","","","","","","","","","","","2-[Difluoro(pyridin-2-ylsulfanyl)methyl]-1,3-benzoxazole","","C1=CC=C2C(=C1)N=C(O2)C(F)(F)SC3=CC=CC=N3","RWPXZBKSQFEUTN-UHFFFAOYSA-N","391716",NA,"PDBC17955","691256","Present"
-"2-[[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl]thio]-5-chlorobenzoic acid","","","","","","","","","","","","","","","","","","","","2-[[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl]thio]-5-chlorobenzoic acid","","CC(=CCCC(=CCCC(=CCSC1=C(C=C(C=C1)Cl)C(=O)O)C)C)C","BNENOULFKRUUQV-IJUJUXHTSA-N","5469319",NA,"PDBC17956","685987","Present"
-"2-[[(2R)-2-Hydroxycyclohexyl]-methylamino]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[[(2R)-2-Hydroxycyclohexyl]-methylamino]acetonitrile","","CN(CC#N)C1CCCCC1O","CZBCGGZQZJHMDJ-YGPZHTELSA-N","357751",NA,"PDBC17957","617273","Present"
-"2-[[(2R)-2-Hydroxycyclopentyl]-[(1S)-1-phenylethyl]amino]acetonitrile","","","","","","","","","","","","","","","","","","","","2-[[(2R)-2-Hydroxycyclopentyl]-[(1S)-1-phenylethyl]amino]acetonitrile","","CC(C1=CC=CC=C1)N(CC#N)C2CCCC2O","KJHGQMRPDVTOPD-XSDATEAUSA-N","357647",NA,"PDBC17958","617168","Present"
-"2-[[(3,4-Dichlorophenyl)carbamothioylamino]methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[[(3,4-Dichlorophenyl)carbamothioylamino]methylene]propanediamide","","C1=CC(=C(C=C1NC(=S)NC=C(C(=O)N)C(=O)N)Cl)Cl","ALFOLAHKBDEAAU-UHFFFAOYSA-N","3004556",NA,"PDBC17959","658334","Present"
-"2-[[(3S,8S,9S,10R,11S,13S,14S,16S,17R)-3,11-Dihydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methyloxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[[(3S,8S,9S,10R,11S,13S,14S,16S,17R)-3,11-Dihydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methy","","CC1C(C(C(C(O1)OC2CC3C4CC=C5CC(CCC5(C4C(CC3(C2C(C)C(CCC(C)C)O)C)O)C)O)O)O)O","YCZAEBFSTKVRIP-UQNCHJDOSA-N","392623",NA,"PDBC17960","693185","Present"
-"2-[[(4-Chlorophenyl)imino]methyl]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one","","","","","","","","","","","","","","","","","","","","2-[[(4-Chlorophenyl)imino]methyl]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one","","C1=CC=C2C(=C1)NC3=C(C(=C(C(=O)N23)C=NC4=CC=C(C=C4)Cl)O)C#N","SASCQYZHWAEJPR-UHFFFAOYSA-N","135409143",NA,"PDBC17961","659488","Present"
-"2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-6-methyloxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-6-methyloxane-3,4,5-triol","","CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(C(O4)C)O)O)O)C)C=C(C)C)C","LIAAPIYLHKRUNZ-XOSITHTRSA-N","24205888",NA,"PDBC17962","737081","Present"
-"2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]oxane-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]oxane-3,4,5-triol","","CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(CO4)O)O)O)C)C=C(C)C)C","MWZXYPPIOWWIFA-YLMRZGRFSA-N","24205889",NA,"PDBC17963","737082","Present"
-"2-[[(4Z)-4-Benzylidene-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","2-[[(4Z)-4-Benzylidene-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione","","C1C(=O)NC(=NN2C(=NC(=CC3=CC=CC=C3)C2=O)C4=CC=CC=C4)NC1=O","HQYNFWCLLKWBHR-PTNGSMBKSA-N","135493985",NA,"PDBC17964","687814","Present"
-"2-[[(4Z)-4-[(3,4-Dichlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","2-[(4Z)-4-[(3,4-Dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1,3-diazinane-4,6-dione","","C1C(=O)NC(=NN2C(=NC(=CC3=CC(=C(C=C3)Cl)Cl)C2=O)C4=CC=CC=C4)NC1=O","PGWSHZXVGCVESQ-DHDCSXOGSA-N","135493987",NA,"PDBC17965","687816","Present"
-"2-[[(4Z)-4-[(4-Chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","2-[[(4Z)-4-[(4-Chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione","","C1C(=O)NC(=NN2C(=NC(=CC3=CC=C(C=C3)Cl)C2=O)C4=CC=CC=C4)NC1=O","BFRKPOSWQTWIKZ-GDNBJRDFSA-N","135493986",NA,"PDBC17966","687815","Present"
-"2-[[(4Z)-4-[(4-Methoxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","2-[[(4Z)-4-[(4-Methoxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N=C4NC(=O)CC(=O)N4","SXNPXNCSOIYSSN-WJDWOHSUSA-N","135493989",NA,"PDBC17967","687820","Present"
-"2-[[(4Z)-4-[2-(2-Furyl)-2-oxo-ethylidene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","2-[(4Z)-4-[2-(Furan-2-yl)-2-oxoethylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1,3-diazinane-4,6-dione","","C1C(=O)NC(=NN2C(=NC(=CC(=O)C3=CC=CO3)C2=O)C4=CC=CC=C4)NC1=O","KKHJFPVAEMFJIT-XFXZXTDPSA-N","135493988",NA,"PDBC17968","687817","Present"
-"2-[[(6-Methoxyquinolin-8-yl)amino]methyl]phenol","","","","","","","","","","","","","","","","","","","","2-{[(6-Methoxyquinolin-8-yl)amino]methyl}phenol","","COC1=CC(=C2C(=C1)C=CC=N2)NCC3=CC=CC=C3O","CXGNSWUILAKOTG-UHFFFAOYSA-N","279609",NA,"PDBC17969","130801","Present"
-"2-[[(6As,13aS)-6a,8,13-trimethyl-5,7,8,13a-tetrahydroquinolino[4,3-b][1]benzazepin-6-ylidene]amino]ethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[[(6As,13aS)-6a,8,13-trimethyl-5,7,8,13a-tetrahydroquinolino[4,3-b][1]benzazepin-6-ylidene]amino]ethanamine;hydrochloride","","CC1CC2(C(C3=CC=CC=C3NC2=NCCN)N(C4=CC=CC=C14)C)C.Cl","BZPBDQHHDUQPMR-HNZDZMKBSA-N","135509165",NA,"PDBC17970","664569","Present"
-"2-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl 9-oxo-10H-acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","2-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl 9-oxo-10H-acridine-4-carboxylate","","CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NCCOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34","RNNVAXDYBXNRQD-ZFDGKHGXSA-N","397929",NA,"PDBC17971","706993","Present"
-"2-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","2-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl acridine-4-carboxylate","","CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NCCOC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)CCC34","FGPQFRAMWAWRGN-MELLZYLFSA-N","397930",NA,"PDBC17972","706994","Present"
-"2-[[(E)-(4-Methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanamide","","","","","","","","","","","","","","","","","","","","2-[[(E)-(4-Methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanamide","","CC(C)CC(C(=O)N)NC(=O)N=NC1=CC=C(C=C1)OC","BUIWSFNYUVKSLU-UHFFFAOYSA-N","390563",NA,"PDBC17973","688071","Present"
-"2-[[(E)-(Benzo[b]thiophene-3-yl)methylene]amino]-3-aminomaleonitrile","","","","","","","","","","","","","","","","","","","","(2Z)-2-amino-3-{[(1E)-1-benzothien-3-ylmethylene]amino}b...","","C1=CC=C2C(=C1)C(=CS2)C=NC(=C(C#N)N)C#N","NUUNIYSJLDAZHW-JYARQQABSA-N","24202815",NA,"PDBC17974","726033","Present"
-"2-[[(E)-1-Pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[(E)-1-Pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid","","CC(=NNC(=S)NC(CCC(=O)O)C(=O)O)C1=NC=CN=C1","WFLNUUBKYFZGLG-FRKPEAEDSA-N","9571685",NA,"PDBC17975","645626","Present"
-"2-[[(E)-1-Pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[(E)-1-Pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid","","CC(=NNC(=S)NC(CCC(=O)O)C(=O)O)C1=CC=CC=N1","WRESCHAULIZHSW-LZYBPNLTSA-N","9571682",NA,"PDBC17976","645623","Present"
-"2-[[(E)-3-(3,4-Diacetyloxyphenyl)prop-2-enoyl]amino]ethyl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","3,4-Diacetoxycinnamic acid 2-[(3,4-diacetoxycinnamoyl)amino]ethyl ester","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NCCOC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","AAOUHTYFBALOPI-MKICQXMISA-N","5470292",NA,"PDBC17977","699167","Present"
-"2-[[(E)-[1,1-Bis(hydroxymethyl)ethyl]imino]methyl]-4,6-diiodophenol","","","","","","","","","","","","","","","","","","","","2-[[(E)-[1,1-Bis(hydroxymethyl)ethyl]imino]methyl]-4,6-diiodophenol","","CC(CO)(CO)N=CC1=C(C(=CC(=C1)I)I)O","BLROBJDNWBFFTJ-UHFFFAOYSA-N","271182",NA,"PDBC17978","114609","Present"
-"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O","RMSFWGCAZZFJSW-HMAPJEAMSA-N","6477538",NA,"PDBC17979","686411","Present"
-"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide","","","","","","","","","","","","","","","","","","","","2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C(=O)NC3=CC=CC=C3C(=O)NCCCO","ZHVYQWWWBZLRIW-XLNRJJMWSA-N","6477546",NA,"PDBC17980","686425","Present"
-"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C(=O)NC3=CC=CC=C3C(=O)O","CMLYJMIMIITALH-RGEXLXHISA-N","6477566",NA,"PDBC17981","690950","Present"
-"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C(=O)NC(CC(=O)O)C(=O)O","PDXQGEQJZVWYKU-UVTDQMKNSA-N","6477568",NA,"PDBC17982","690956","Present"
-"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid","","","","","","","","","","","","","","","","","","","","2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid","","CC(C(=O)O)NC(=O)C(=CC1=CC=CC=C1O)NC(=O)C2=CC=CC=C2","DAOHVZHZODOYEF-PTNGSMBKSA-N","6477547",NA,"PDBC17983","686426","Present"
-"2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid","","CN(C)C1=CC=C(C=C1)C=C(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4=CC=CC=C4","BQXJKMKXYAFKGB-XYGWBWBKSA-N","5917748",NA,"PDBC17984","686422","Present"
-"2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]benzoic acid","","CN(C)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)C3=CC=CC=C3","BENCLXJGOPPQNA-JWGURIENSA-N","5794267",NA,"PDBC17985","690953","Present"
-"2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid","","CN(C)C1=CC=C(C=C1)C=C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C2=CC=CC=C2","NYGWVXFNECLBDK-ATVHPVEESA-N","6109488",NA,"PDBC17986","686409","Present"
-"2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]pentanedioic acid","","CN(C)C1=CC=C(C=C1)C=C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2=CC=CC=C2","GFUZTMLAILXNER-RGEXLXHISA-N","5917745",NA,"PDBC17987","686418","Present"
-"2-[[(Z)-4-(2-Aminoethyldisulfanyl)but-2-enyl]disulfanyl]ethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC624167///NSC624168","","C(CSSCC=CCSSCCN)N.Cl","LWFGVZOHUKLPAI-ODZAUARKSA-N","5387488",NA,"PDBC17988","624167///624168","Present"
-"2-[[(Z)-C-[4-(Dimethylamino)phenyl]-N-[(4-methylbenzoyl)amino]carbonimidoyl]diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[[(Z)-C-[4-(Dimethylamino)phenyl]-N-[(4-methylbenzoyl)amino]carbonimidoyl]diazenyl]benzoic acid","","CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=CC=C3C(=O)O","HJDNZBPKVHACFW-UVAYCXRGSA-N","135505196",NA,"PDBC17989","704103","Present"
-"2-[[1-(Chloromethoxy)-2-(dimethylamino)ethyl]amino]-N-[2-[[4-[2-[[2-[[1-(chloromethoxy)-2-(dimethylamino)ethyl]amino]-2-(sulfanylmethylamino)acetyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl]-2-(sulfanylmethylamino)acetamide","","","","","","","","","","","","","","","","","","","","2-[[1-(Chloromethoxy)-2-(dimethylamino)ethyl]amino]-N-[2-[[4-[2-[[2-[[1-(chloromethoxy)-2-(dimethylamino)ethyl]amino]-2-(sulfanylmethylamino)acetyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-","","CN(C)CC(NC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(NCS)NC(CN(C)C)OCCl)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCS)OCCl","QLRYIDUGEQXRPB-UHFFFAOYSA-N","438971",NA,"PDBC17990","692228","Present"
-"2-[[1-Amino-2-[4-(diaminomethylideneamino)phenyl]ethyl]amino]acetic acid;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","2-[[1-Amino-2-(4-guanidinophenyl)ethyl]amino]acetic acid; 2,2,2-trifluoroacetic acid","","C1=CC(=CC=C1CC(N)NCC(=O)O)N=C(N)N.C(=O)(C(F)(F)F)O","XUNANFYATNOQIP-UHFFFAOYSA-N","388723",NA,"PDBC17991","683779","Present"
-"2-[[1-[6-[3-[[Bis(carboxymethyl)amino]methyl]pyrazol-1-yl]-2-pyridyl]pyrazol-3-yl]methyl-(carboxymethyl)amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[1-[6-[3-[[Bis(carboxymethyl)amino]methyl]pyrazol-1-yl]pyridin-2-yl]pyrazol-3-yl]methyl-(carboxymethyl)amino]acetic acid","","C1=CC(=NC(=C1)N2C=CC(=N2)CN(CC(=O)O)CC(=O)O)N3C=CC(=N3)CN(CC(=O)O)CC(=O)O","YNIGELUCPUDHFO-UHFFFAOYSA-N","383330",NA,"PDBC17992","671445","Present"
-"2-[[1-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-3-[[(1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]propan-2-ylidene]amino]oxyacetic acid","","","","","","","","","","","","","","","","","","","","2-[[1-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-3-[[(1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC(=NOCC(=O)O)COC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C","ZNFQFXRNJVRFBO-YLAAHBJNSA-N","45027898",NA,"PDBC17993","735846","Present"
-"2-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","2-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C=C(N=N3)CN4C(=O)NC(=O)C=N4)O","CWODJSMVWRIQCA-UHFFFAOYSA-N","392015",NA,"PDBC17994","691814","Present"
-"2-[[11,17,23-Tris(carboxymethylsulfanylmethyl)-25,26,27,28-tetrahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methylsulfanyl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[11,17,23-Tris(carboxymethylsulfanylmethyl)-25,26,27,28-tetrahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methylsulfanyl]acet","","C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)CSCC(=O)O)CC5=C(C1=CC(=C5)CSCC(=O)O)O)O)CSCC(=O)O)CSCC(=O)O","SAJBEQRPUQAAGE-UHFFFAOYSA-N","373833",NA,"PDBC17995","650796","Present"
-"2-[[2,4-Dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-(2-phenylphenyl)butanoyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[[2,4-Dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-(2-phenylphenyl)butanoyl]amino]benzoic acid","","C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5C(=O)O","LAHGJCLPEBQCAA-UHFFFAOYSA-N","369820",NA,"PDBC17996","642015","Present"
-"2-[[2,6-Bis[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-pyridyl]methyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol","","","","","","","","","","","","","","","","","","","","2-[[2,6-Bis[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-4-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol","","C1=C(C=C(N=C1CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O","DHLZQCZWFGKLCH-UHFFFAOYSA-N","377661",NA,"PDBC17997","659242","Present"
-"2-[[2-(1,3-Dicarboxypropylimino)-1,2-diphenylethylidene]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[(2e)-2-(1-Carboxy-4-hydroxy-4-oxo-butyl)imino-1,2-diphenyl-ethylidene]amino]pentanedioic acid","","C1=CC=C(C=C1)C(=NC(CCC(=O)O)C(=O)O)C(=NC(CCC(=O)O)C(=O)O)C2=CC=CC=C2","DFAPQIOKWBUOPT-UHFFFAOYSA-N","395215",NA,"PDBC17998","699689","Present"
-"2-[[2-(3,4-Dichlorophenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","2-[[2-(3,4-Dichlorophenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione","","C1C(=O)NC(=NN2C(SCC2=O)C3=CC(=C(C=C3)Cl)Cl)NC1=O","OJFNKVMGTFXJFN-UHFFFAOYSA-N","135408032",NA,"PDBC17999","687811","Present"
-"2-[[2-(4-Aminobenzoyloxy)butylacetyl]amino]-4-carbethoxymeth ylthiazole","","","","","","","","","","","","","","","","","","","","2-[[2-(4-aminobenzoyloxy)butylacetyl]amino]-4-carbethoxy...","","CCCCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)OC(=O)C2=CC=C(C=C2)N","GRZGEAFRXMVHQJ-UHFFFAOYSA-N","24205624",NA,"PDBC18000","736281","Present"
-"2-[[2-(4-Benzoylphenyl)acetyl]amino]-4-methylsulfanyl-butanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-(4-Benzoylphenyl)acetyl]amino]-4-methylsulfanyl-butanoic acid","","CSCCC(C(=O)O)NC(=O)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2","MSLUEPNVDDGZPD-UHFFFAOYSA-N","386362",NA,"PDBC18001","678158","Present"
-"2-[[2-(4-Butylanilino)-6-chloro-purin-7-yl]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[2-(4-Butylanilino)-6-chloro-purin-7-yl]methoxy]ethyl acetate","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N(C=N3)COCCOC(=O)C","WYDSAAWBURLMSO-UHFFFAOYSA-N","387670",NA,"PDBC18002","681695","Present"
-"2-[[2-(4-Butylanilino)-6-chloro-purin-9-yl]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[2-(4-Butylanilino)-6-chloro-purin-9-yl]methoxy]ethyl acetate","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3COCCOC(=O)C","AYSQAHYTHOBYJR-UHFFFAOYSA-N","387674",NA,"PDBC18003","681699","Present"
-"2-[[2-(4-Chlorophenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","2-[[2-(4-Chlorophenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione","","C1C(=O)NC(=NN2C(SCC2=O)C3=CC=C(C=C3)Cl)NC1=O","PNXAJBAMLNQNFG-UHFFFAOYSA-N","135450450",NA,"PDBC18004","687810","Present"
-"2-[[2-(4-Fluorobenzyloxy)ethoxy]methyl]-5-aminooxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","2-[[2-(4-Fluorobenzyloxy)ethoxy]methyl]-5-aminooxazole-4-carbonitrile","","C1=CC(=CC=C1COCCOCC2=NC(=C(O2)N)C#N)F","QATYAPYZKXGQDX-UHFFFAOYSA-N","390378",NA,"PDBC18005","687720","Present"
-"2-[[2-(4-Methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[[2-(4-Methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile","","COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)C#N","KGKWNULLCCJCPE-UHFFFAOYSA-N","16101433",NA,"PDBC18006","749026","Present"
-"2-[[2-(4-Methoxyphenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","2-[[2-(4-Methoxyphenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione","","COC1=CC=C(C=C1)C2N(C(=O)CS2)N=C3NC(=O)CC(=O)N3","PRWMDBCWXZOLIT-UHFFFAOYSA-N","135399228",NA,"PDBC18007","687812","Present"
-"2-[[2-(Carboxymethylimino)-1,2-diphenylethylidene]amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[(2e)-2-(Carboxymethylimino)-1,2-diphenyl-ethylidene]amino]acetic acid","","C1=CC=C(C=C1)C(=NCC(=O)O)C(=NCC(=O)O)C2=CC=CC=C2","PTGDKCFPPZEEEN-UHFFFAOYSA-N","395212",NA,"PDBC18008","699686","Present"
-"2-[[2-(Dimethylamino)ethyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[[2-(Dimethylamino)ethyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCN(C)C)I.Cl","DVPHKZKNWGJMLE-UHFFFAOYSA-N","45028519",NA,"PDBC18009","743066","Present"
-"2-[[2-(Dimethylamino)ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[[2-(Dimethylamino)ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","CC1=CC(=CC(=C1O)CNCCN(C)C)I.Cl","YMOBYNAYKZMMAR-UHFFFAOYSA-N","45028521",NA,"PDBC18010","743067","Present"
-"2-[[2-(Furan-2-carbonyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","2-[[2-(Furan-2-carbonyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione","","C1C(=O)NC(=NN2C(SCC2=O)C(=O)C3=CC=CO3)NC1=O","IZEMAPASCCZASY-UHFFFAOYSA-N","135450451",NA,"PDBC18011","687813","Present"
-"2-[[2-(N-Methylanilino)acetyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","2-(2-Anilnoacetyl)aminobenzoic acid","","CN(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=CC=C2","BJXLDMRHVAZHAF-UHFFFAOYSA-N","386383",NA,"PDBC18012","678354","Present"
-"2-[[2-(Trifluoromethyl)pyridin-4-yl]amino]-N-(3,4,5-trimethoxyphenyl)benzamide","","","","","","","","","","","","","","","","","","","","2-[[2-(Trifluoromethyl)pyridin-4-yl]amino]-N-(3,4,5-trimethoxyphenyl)benzamide","","COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F","GBYIQASCSVGVBP-UHFFFAOYSA-N","45027964",NA,"PDBC18013","740355","Present"
-"2-[[2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","NSC678526///NSC678528","","C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)O)C(=O)O)N)N(CCCl)CCCl.C(=O)(C(F)(F)F)O","LAQGCTJXUWSZEC-UHFFFAOYSA-N","386484",NA,"PDBC18014","678526///678528","Present"
-"2-[[2-Butyl-3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]methyl]quinoline","","","","","","","","","","","","","","","","","","","","2-butyl-1-(naphthalen-2-ylmethyl)-3-(quinolin-2-ylmethyl...","","CCCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","PQLHHKVGDWJIPA-UHFFFAOYSA-N","134138143",NA,"PDBC18015","793139","Present"
-"2-[[2-Chloro-4-[[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-[[2-Chloro-4-[[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole","","C1=CC(=C(C=C1OCC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl)Cl)OCC4=NN=C(O4)COC5=C(C=C(C=C5)Cl)Cl","BEUBRONWQAKUJJ-UHFFFAOYSA-N","403740",NA,"PDBC18016","719150","Present"
-"2-[[2-Chloro-4-[[5-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-5-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","2-[[2-Chloro-4-[[5-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-5-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3,4-oxadiazole","","C1=CC(=C(C=C1OCC2=NN=C(O2)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)Cl)OCC5=NN=C(O5)C6=CC=C(O6)C7=C(C=C(C=C7)Cl)Cl","IUOGCBPDMYJETO-UHFFFAOYSA-N","403743",NA,"PDBC18017","719153","Present"
-"2-[[2-Hydroxy-3-[(2-hydroxy-3,5-dimethyl-phenyl)methyl]phenyl]methyl]-4,6-dimethyl-phenol","","","","","","","","","","","","","","","","","","","","2-[[2-Hydroxy-3-[(2-hydroxy-3,5-dimethyl-phenyl)methyl]phenyl]methyl]-4,6-dimethyl-phenol","","CC1=CC(=C(C(=C1)CC2=C(C(=CC=C2)CC3=CC(=CC(=C3O)C)C)O)O)C","ZBVMHRPGUVTUBV-UHFFFAOYSA-N","241066",NA,"PDBC18018","48168","Present"
-"2-[[2-Methoxy-3-(methyl-octadecyl-amino)propoxy]-oxido-phosphoryl]oxyethyl-trimethyl-azanium","","","","","","","","","","","","","","","","","","","","9-Aza-3,5-dioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy...","","CCCCCCCCCCCCCCCCCCN(C)CC(COP(=O)([O-])OCC[N+](C)(C)C)OC","IMBDJLSSCGCJMU-UHFFFAOYSA-N","131968",NA,"PDBC18019","643828","Present"
-"2-[[2-Methyl-3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]methyl]quinoline","","","","","","","","","","","","","","","","","","","","2-methyl-1-(naphthalen-2-ylmethyl)-3-(quinolin-2-ylmethy...","","CC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","LPTGLEKMPDFNEX-UHFFFAOYSA-N","134147192",NA,"PDBC18020","791102","Present"
-"2-[[2-Oxo-3-(phenylcarbamoyl)chromen-6-yl]diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-Oxo-3-(phenylcarbamoyl)chromen-6-yl]diazenyl]benzoic acid","","C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4C(=O)O)OC2=O","WIYJWPWFGIPHDU-UHFFFAOYSA-N","359687",NA,"PDBC18021","621102","Present"
-"2-[[2-Propynyl(3,4-difluorophenyl)amino]methyl]-3-phenyl-7-t rfluoromethylquinoxaline","","","","","","","","","","","","","","","","","","","","2-[[2-propynyl(3,4-difluorophenyl)amino]methyl]-3-phenyl...","","C#CCN(CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CC=C3)C4=CC(=C(C=C4)F)F","PTQXBFWOZPBDTQ-UHFFFAOYSA-N","24202946",NA,"PDBC18022","726319","Present"
-"2-[[2-Propynyl(4-fluorophenyl)amino]methyl]-3-phenyl-7-trifl uoromethylquinoxaline","","","","","","","","","","","","","","","","","","","","2-[[2-propynyl(4-fluorophenyl)amino]methyl]-3-phenyl-7-t...","","C#CCN(CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CC=C3)C4=CC=C(C=C4)F","BPMOKQUHTNKXGX-UHFFFAOYSA-N","24202947",NA,"PDBC18023","726320","Present"
-"2-[[2-Propynyl(4-methylphenyl)amino]methyl]-3-phenyl-7-trifl uoromethylquinoxaline","","","","","","","","","","","","","","","","","","","","2-[[2-propynyl(4-methylphenyl)amino]methyl]-3-phenyl-7-t...","","CC1=CC=C(C=C1)N(CC#C)CC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","KAZMSSGLBPOWAP-UHFFFAOYSA-N","24203165",NA,"PDBC18024","727023","Present"
-"2-[[2-Propynyl(4-trifluoromethoxyphenyl)amino]methyl]3-pheny l-7-trifluoromethylquinoxaline","","","","","","","","","","","","","","","","","","","","2-[[2-propynyl(4-trifluoromethoxyphenyl)amino]methyl]3-p...","","C#CCN(CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CC=C3)C4=CC=C(C=C4)OC(F)(F)F","TUTFVRKGYHJIRO-UHFFFAOYSA-N","24203167",NA,"PDBC18025","727025","Present"
-"2-[[2-[(2-Aminoethyldisulfanyl)methyl]phenyl]methyldisulfanyl]ethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[[2-[(2-Aminoethyldisulfanyl)methyl]phenyl]methyldisulfanyl]ethanamine;hydrochloride","","C1=CC=C(C(=C1)CSSCCN)CSSCCN.Cl","PHKULCLLRFYKSK-UHFFFAOYSA-N","361207",NA,"PDBC18026","624169","Present"
-"2-[[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetyl]amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetyl]amino]acetic acid","","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCC(=O)NCC(=O)O","KRXKMAGQYJHGLY-HKOYGPOVSA-N","135436305",NA,"PDBC18027","717858","Present"
-"2-[[2-[10,15,20-Tris[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[[2-[10,15,20-Tris[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]isoindole-1,3-dione","","C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3C2=O)C4=C5C=CC(=C(C6=NC(=C(C7=CC=C(N7)C(=C8C=CC4=N8)C9=CC=CC=C9CN1C(=O)C2=CC=CC=C2C1=O)C1=CC=CC=C1CN1C(=O)C2=CC=CC=C2C1=O)C=C6)C1=CC=CC=C1CN1C(=O)C2=CC=CC=C2C1=O)N5","VYAXVOPMPBXIPS-UHFFFAOYSA-N","16129777",NA,"PDBC18028","653140","Present"
-"2-[[2-[2-(2-Methoxyethoxy)ethoxymethyl]-3-(quinolin-2-ylmethyl)benzimidazol-1-ium-1-yl]methyl]quinoline","","","","","","","","","","","","","","","","","","","","2-((2-(2-methoxyethoxy)ethoxy)methyl)-1,3-bis(quinolin-2...","","COCCOCCOCC1=[N+](C2=CC=CC=C2N1CC3=NC4=CC=CC=C4C=C3)CC5=NC6=CC=CC=C6C=C5","WUGCZOYITNTCTJ-UHFFFAOYSA-N","134155123",NA,"PDBC18029","791492","Present"
-"2-[[2-[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-[3-[(1-nitro-9,10-dihydroacridin-9-yl)amino]propyl]pentanediamide","","","","","","","","","","","","","","","","","","","","2-[[2-[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-[3-[(1-nitro-9,10-dihydroacridin-9-yl)amino]propyl]pentanediamide","","CC(C)C(C(=O)NC(CCC(=O)NCCCNC1C2=CC=CC=C2NC3=C1C(=CC=C3)[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4NC(=O)C)(C)OCC5=CC=CC=C5)CO)O","RXBMMXAOWQSXDK-UHFFFAOYSA-N","388676",NA,"PDBC18030","683694","Present"
-"2-[[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)pentanediamide","","","","","","","","","","","","","","","","","","","","2-[[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)pentanediamide","","CC(C)C(C(=O)NC(CCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2)C(=O)N)NC(=O)C(C)OC5C(C(OC(C5O)CO)OCC6=CC=CC=C6)NC(=O)C","PKJIRCHLRJQWRE-UHFFFAOYSA-N","6712903",NA,"PDBC18031","719483","Present"
-"2-[[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-[4-oxo-4-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]butyl]pentanediamide","","","","","","","","","","","","","","","","","","","","2-[[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-[4-oxo-4-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]butyl]pentanediamid","","CC(C)C(C(=O)NC(CCC(=O)NCCCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2)C(=O)N)NC(=O)C(C)OC5C(C(OC(C5O)CO)OCC6=CC=CC=C6)NC(=O)C","ANGLYMSGPVXRBY-UHFFFAOYSA-N","6712906",NA,"PDBC18032","719486","Present"
-"2-[[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]amino]ethanol","","C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=C(C=C3)OCCNCCO","OUGZFJVFHAPYBT-WCWDXBQESA-N","5466853",NA,"PDBC18033","644607","Present"
-"2-[[2-[4-[[5-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylcarbamoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]phenyl]acetyl]amino]-3-phenylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[4-[[5-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylcarbamoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]phenyl]acetyl]amino]","","CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)NC5=CC=C(C=C5)CC(=O)NC(CC6=CC=CC=C6)C(=O)O","IBEYRHVEBRMCGV-UHFFFAOYSA-N","45028434",NA,"PDBC18034","742848","Present"
-"2-[[2-[Bis(carboxymethyl)amino]cyclohexyl]-[2-[2-(tert-butoxycarbonylamino)ethylamino]-2-oxo-ethyl]amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[Bis(carboxymethyl)amino]cyclohexyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-2-oxoethyl]amino]acetic acid","","CC(C)(C)OC(=O)NCCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O","YYXCSLKNROHMQR-UHFFFAOYSA-N","384575",NA,"PDBC18035","674589","Present"
-"2-[[2-[Bis(pyridin-2-ylmethyl)amino]ethylamino]methyl]-4,6-diiodophenol","","","","","","","","","","","","","","","","","","","","2-(((2-(bis(pyridin-2-ylmethyl)amino)ethyl)amino)methyl)...","","C1=CC=NC(=C1)CN(CCNCC2=C(C(=CC(=C2)I)I)O)CC3=CC=CC=N3","ZTACZNMMGCLSPS-UHFFFAOYSA-N","155809200",NA,"PDBC18036","788647","Present"
-"2-[[2-[[2-(Tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoic acid","","","","","","","","","","","","","","","","","","","","NSC655093///NSC655098","","CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)O)NC(=O)OC(C)(C)C","BQVNTZFDEBONBA-UHFFFAOYSA-N","375407",NA,"PDBC18037","655093///655098","Present"
-"2-[[2-[[2-Amino-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-Amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoic acid","","CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)N)OC(C)(C)C","FGYNNLAYZOIOEC-UHFFFAOYSA-N","383839",NA,"PDBC18038","672455","Present"
-"2-[[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]-3-methylbutanoyl]amino]-N'-[6-oxo-6-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]hexyl]pentanediamide","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]-3-methylbutanoyl]amino]-N'-[6-oxo-6-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]hexyl]pentanediamide","","CC(C)C(C(=O)NC(CCC(=O)NCCCCCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2)C(=O)N)NC(=O)COC5C(C(OC(C5O)CO)OCC6=CC=CC=C6)NC(=O)C","FBTQLKLTKWNSBS-UHFFFAOYSA-N","6712902",NA,"PDBC18039","719482","Present"
-"2-[[2-[[2-[[10,32-Bis(4-aminobutyl)-23-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-29-(1-hydroxyethyl)-35-(hydroxymethyl)-38-[(4-hydroxyphenyl)methyl]-26-(1H-indol-3-ylmethyl)-2,8,11,17,24,27,30,33,36,39-decaoxo-21-thia-3,9,12,18,25,28,31,34,37,40-decazatetracyclo[38.3.0.03,7.012,16]tritetracontane-19-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-[[10,32-Bis(4-aminobutyl)-23-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-29-(1-hydroxyethyl)-35-(hydro","","CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(=O)NC1CSCC(NC(=O)C2CCCN2C(=O)C(NC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC5=CNC6=CC=CC=C65)C(C)O)CCCCN)CO)CC7=CC=C(C=C7)O)CCCCN)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)O)N","IABULDZGZSPOQD-UHFFFAOYSA-N","16129934",NA,"PDBC18040","707761","Present"
-"2-[[2-[[2-[[2-(Tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoic acid","","","","","","","","","","","","","","","","","","","","NSC655095///NSC655099","","CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)O)NC(=O)OC(C)(C)C","MMXJFHDITMPJIO-UHFFFAOYSA-N","375409",NA,"PDBC18041","655095///655099","Present"
-"2-[[2-[[2-[[2-[[1-[3-[(2-Amino-3-methylpentanoyl)amino]-4-methylhexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-N-[1-[[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]butanediamide","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-[[2-[[1-[3-[(2-Amino-3-methylpentanoyl)amino]-4-methylhexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-N-[1-[[1-[(1,6-diamino-1-oxohexan-2","","CCC(C)C(CC(=O)N1CCCC1C(=O)NC(C(C)CC)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(C(C)CC)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(C(C)CC)N","GIXFGUJGVKXECN-UHFFFAOYSA-N","398173",NA,"PDBC18042","707765","Present"
-"2-[[2-[[2-[[2-[[2-(Benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-[[3-(1H-Indol-3-yl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]","","CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)OC(C)(C)C","SQLOCBKJJCGYMB-UHFFFAOYSA-N","383872",NA,"PDBC18043","672652","Present"
-"2-[[2-[[2-[[2-[[2-Amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-[[2-[[2-Amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid","","CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)N","VVFXBDIGTHAPIK-UHFFFAOYSA-N","404275",NA,"PDBC18044","720458","Present"
-"2-[[2-[[2-[[2-[[2-[(2-Acetamido-5-tert-butoxy-5-oxo-pentanoyl)amino]-5-tert-butoxy-5-oxo-pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-[[2-[[2-[[2-Acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbo","","CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)O","HGJQUSGNUFJKFR-UHFFFAOYSA-N","383871",NA,"PDBC18045","672651","Present"
-"2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino","","C1=CC=C(C=C1)COC(=O)NCC(=O)NCCCCC(C(=O)NC(CCCCNC(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)CNC(=O)OCC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)CNC(=O)OCC4=CC=CC=C4)C(=O)NC(CCCCNC(=O)CNC(=O)OCC5=CC=CC=C5)C(=O)NC(CCCCNC(=O)CNC(=O)OCC6=CC=CC=C6)C(=O)O)N","LVGVGNQPMSCNBX-UHFFFAOYSA-N","16129790",NA,"PDBC18046","668436","Present"
-"2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenyl","","C1=CC=C(C=C1)CC(C(=O)NCCCCC(C(=O)NC(CCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C(=O)NC(CCCCNC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)C(=O)NC(CCCCNC(=O)C(CC8=CC=CC=C8)NC(=O)OCC9=CC=CC=C9)C(=O)NC(CCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)O)N)NC(=O)OCC1=CC=CC=C1","UFEYEEGFMOUBLV-UHFFFAOYSA-N","16129791",NA,"PDBC18047","668437","Present"
-"2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenyl","","CC(C)CC(C(=O)NCCCCC(C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC4=CC=CC=C4)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC5=CC=CC=C5)C(=O)O)N)NC(=O)OCC6=CC=CC=C6","IVFFBUYTAUPDCO-UHFFFAOYSA-N","16129794",NA,"PDBC18048","668446","Present"
-"2-[[2-[[5-Amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-naphthalen-2-ylpropyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[5-Amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-naphthalen-2-ylpropyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid","","CC(C)CC(C(=O)NC(CC1=CC2=CC=CC=C2C=C1)CNC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)N","NYPWYTKHELZEFC-UHFFFAOYSA-N","403792",NA,"PDBC18049","719303","Present"
-"2-[[24-(2-Hydroxyethylimino)-9-heptacyclo[15.13.0.02,16.03,8.010,15.018,23.025,30]triaconta-3,5,7,10,12,14,18,20,22,25,27,29-dodecaenylidene]amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[[24-(2-Hydroxyethylimino)-9-heptacyclo[15.13.0.02,16.03,8.010,15.018,23.025,30]triaconta-3,5,7,10,12,14,18,20,22,25,27,29-dodecaenylidene]amino]ethanol","","C1=CC=C2C(=C1)C3C(C4C3C5=CC=CC=C5C(=NCCO)C6=CC=CC=C46)C7=CC=CC=C7C2=NCCO","DVPXVAYQCHATEP-UHFFFAOYSA-N","382515",NA,"PDBC18050","670124","Present"
-"2-[[3,7-Diammi no quinoxaline","","","","","","","","","","","","","","","","","","","","2-[[3,5-(dimethoxy)phenoxy]amminomethyl]-3-phenyl-5,7-di...","","COC1=CC(=CC(=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","OTGVAFMQBNEXER-UHFFFAOYSA-N","404587",NA,"PDBC18051","720936","Present"
-"2-[[3-(3-Bromophenyl)quinoxalin-2-yl]methyl]-4-methylphenol","","","","","","","","","","","","","","","","","","","","2-{[3-(3-Bromophenyl)quinoxalin-2-yl]methyl}-4-methylphenol","","CC1=CC(=C(C=C1)O)CC2=NC3=CC=CC=C3N=C2C4=CC(=CC=C4)Br","ILCFJGMKNNNZAE-UHFFFAOYSA-N","403654",NA,"PDBC18052","718722","Present"
-"2-[[3-(4-Chlorophenyl)-3-methyl-2H-isoindol-1-ylidene]amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[[3-(4-Chlorophenyl)-3-methyl-2H-isoindol-1-ylidene]amino]ethanol","","CC1(C2=CC=CC=C2C(=NCCO)N1)C3=CC=C(C=C3)Cl","BTXODMFYERUALL-UHFFFAOYSA-N","135426706",NA,"PDBC18053","710121","Present"
-"2-[[3-(Azocan-1-yl)propyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[[3-(Azocan-1-yl)propyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCCN2CCCCCCC2)I.Cl","VNYGCPHOMBIXEB-UHFFFAOYSA-N","45028533",NA,"PDBC18054","743073","Present"
-"2-[[3-(Carboxymethylsulfanyl)-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-4-yl]amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[3-(Carboxymethylsulfanyl)-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-4-yl]amino]acetic acid","","C1=CC=C2C(=C1)C=CC(=C2C=CC3=NN=C(N(C3=O)NCC(=O)O)SCC(=O)O)O","GSDKSQIJQVXAFB-VOTSOKGWSA-N","135436156",NA,"PDBC18055","710580","Present"
-"2-[[3-(Dimethylamino)propyl-ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[[3-(Dimethylamino)propyl-ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","CCN(CCCN(C)C)CC1=C(C(=CC(=C1)I)C)O.Cl","KYPIUAZTIUBVRW-UHFFFAOYSA-N","45028529",NA,"PDBC18056","743071","Present"
-"2-[[3-(Dimethylamino)propyl-propan-2-ylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[[3-(Dimethylamino)propyl-propan-2-ylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(CCCN(C)C)C(C)C)I.Cl","NZQSJTZEQQLWQO-UHFFFAOYSA-N","45028517",NA,"PDBC18057","743065","Present"
-"2-[[3-(Dipropylamino)propylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[[3-(Dipropylamino)propylamino]methyl]-4-iodo-6-methylphenol;hydrochloride","","CCCN(CCC)CCCNCC1=C(C(=CC(=C1)I)C)O.Cl","FYKNDMQDUNRXRO-UHFFFAOYSA-N","45028531",NA,"PDBC18058","743072","Present"
-"2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1,3-diphenylpropane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1,3-diphenylpropane-1,3-dione","","C1CN(C(=S)N1C=C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CO4","WAAOKSVZOBDCTF-UHFFFAOYSA-N","24203794",NA,"PDBC18059","729526","Present"
-"2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]propanedinitrile","","C1CN(C(=S)N1C=C(C#N)C#N)C(=O)C2=CC=CO2","CLGWIGVBGZMMMS-UHFFFAOYSA-N","24203788",NA,"PDBC18060","729520","Present"
-"2-[[3-(Naphthalen-2-ylmethyl)-2-phenylimidazol-3-ium-1-yl]methyl]quinoline","","","","","","","","","","","","","","","","","","","","1-(naphthalen-2-ylmethyl)-2-phenyl-3-(quinolin-2-ylmethy...","","C1=CC=C(C=C1)C2=[N+](C=CN2CC3=NC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","IPALUFMJIYWTLT-UHFFFAOYSA-N","134155119",NA,"PDBC18061","793141","Present"
-"2-[[3-(Naphthalen-2-ylmethyl)-2-propylimidazol-3-ium-1-yl]methyl]quinoline","","","","","","","","","","","","","","","","","","","","1-(naphthalen-2-ylmethyl)-2-propyl-3-(quinolin-2-ylmethy...","","CCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","DSXYLZRGZZTCDL-UHFFFAOYSA-N","134157887",NA,"PDBC18062","791103","Present"
-"2-[[3-(Naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]methyl]quinoline","","","","","","","","","","","","","","","","","","","","3-(naphthalen-2-ylmethyl)-1-(quinolin-2-ylmethyl)imidazo...///1-(naphthalen-2-ylmethyl)-3-(quinolin-2-ylmethyl)imidazo...","","C1=CC=C2C=C(C=CC2=C1)C[N+]3=CN(C=C3)CC4=NC5=CC=CC=C5C=C4","FLFBEMUWQLCOOU-UHFFFAOYSA-N","155815196",NA,"PDBC18063","788915///793142","Present"
-"2-[[3-(Oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane","","","","","","","","","","","","","","","","","","","","Oxirane, 2,2'-[2,3-naphthalendiylbis(oxymethylene)]bis-","","C1C(O1)COC2=CC3=CC=CC=C3C=C2OCC4CO4","MPYZUNNAXVBHDC-UHFFFAOYSA-N","332711",NA,"PDBC18064","331269","Present"
-"2-[[3-Benzyloxy-2-[[2-[[5-benzyloxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[4-Methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]pentanoyl]amino]-3-phenylmethoxypropanoyl]amino]-3-phenylpropanoic acid","","CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CCC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C","FGNLDYJYAYNVTG-UHFFFAOYSA-N","381809",NA,"PDBC18065","668883","Present"
-"2-[[3-Cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile","","CC1(CC2=C(C(C(=C(N2)SSC3=C(C(C4=C(N3)CC(CC4=O)(C)C)C5=CC=C(C=C5)F)C#N)C#N)C6=CC=C(C=C6)F)C(=O)C1)C","OSBNGANCHOLRCB-UHFFFAOYSA-N","380527",NA,"PDBC18066","666140","Present"
-"2-[[3-Methoxy-4-[(E)-(4-nitrophenyl)azo]anilino]methyl]propanedinitrile","","","","","","","","","","","","","","","","","","","","[({3-Methoxy-4-[(E)-(4-nitrophenyl)diazenyl]phenyl}amino)methyl]propanedinitrile","","COC1=C(C=CC(=C1)NCC(C#N)C#N)N=NC2=CC=C(C=C2)[N+](=O)[O-]","HECQUXRJYSHQBR-UHFFFAOYSA-N","367993",NA,"PDBC18067","638218","Present"
-"2-[[3-Methyl-1-(4-methylbenzoyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-{(E)-[3-Methyl-1-(4-methylbenzoyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid","","CC1=CC=C(C=C1)C(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O","AUHYMQXXPORJMG-UHFFFAOYSA-N","362547",NA,"PDBC18068","626621","Present"
-"2-[[3-Nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanoyl]amino]benzamide","","","","","","","","","","","","","","","","","","","","2-{[3-Nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanoyl]amino}benzamide","","C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","PABIZHZGHAGZJJ-UHFFFAOYSA-N","372916",NA,"PDBC18069","648628","Present"
-"2-[[3-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile","","","","","","","","","","","","","","","","","","","","2-[[3-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile","","CCC(C#N)NCC1=CC(=CC=C1)CNC(CC)C#N","FBQZCYJHMOCMDJ-UHFFFAOYSA-N","387700",NA,"PDBC18070","681729","Present"
-"2-[[3-[(2-Hydroxy-3,5-dimethylphenyl)methylamino]propylamino]methyl]-4,6-dimethylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[[3-[(2-Hydroxy-3,5-dimethylphenyl)methylamino]propylamino]methyl]-4,6-dimethylphenol;hydrochloride","","CC1=CC(=C(C(=C1)CNCCCNCC2=CC(=CC(=C2O)C)C)O)C.Cl","QWCCCLFWEIEKDY-UHFFFAOYSA-N","24181853",NA,"PDBC18071","11966","Present"
-"2-[[3-[(2-Methylphenyl)carbamoyl]-2-oxochromen-6-yl]diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[[3-[(2-Methylphenyl)carbamoyl]-2-oxochromen-6-yl]diazenyl]benzoic acid","","CC1=CC=CC=C1NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4C(=O)O)OC2=O","CHBAPMADBCPJAX-UHFFFAOYSA-N","359688",NA,"PDBC18072","621103","Present"
-"2-[[3-[(4-Methylphenyl)carbamoyl]-2-oxochromen-6-yl]diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","2-[[3-[(4-Methylphenyl)carbamoyl]-2-oxochromen-6-yl]diazenyl]benzoic acid","","CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4C(=O)O)OC2=O","LWHNXCUTAPDBIO-UHFFFAOYSA-N","359689",NA,"PDBC18073","621104","Present"
-"2-[[3-[Bis(2-hydroxy-5-methyl-phenyl)methyl]phenyl]-(2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenol","","","","","","","","","","","","","","","","","","","","2-[[3-[Bis(2-hydroxy-5-methylphenyl)methyl]phenyl]-(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol","","CC1=CC(=C(C=C1)O)C(C2=CC(=CC=C2)C(C3=C(C=CC(=C3)C)O)C4=C(C=CC(=C4)C)O)C5=C(C=CC(=C5)C)O","PIZWRPDJPNNFRQ-UHFFFAOYSA-N","388293",NA,"PDBC18074","682934","Present"
-"2-[[3-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","2-[[3-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C(=CN=N3)CN4C(=O)NC(=O)C=N4)O","SJGIZVRSHOSUJA-UHFFFAOYSA-N","392011",NA,"PDBC18075","691810","Present"
-"2-[[3-[[Benzyl-[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]pyridin-1-ium-1-yl]methyl]-5-chlorobenzenesulfonyl fluoride;bromide","","","","","","","","","","","","","","","","","","","","2-[[3-[[Benzyl-[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]pyridin-1-ium-1-yl]methyl]-5-chlorobenzenesulfonyl fluoride;bromide","","C1=CC=C(C=C1)CN(CC2=C[N+](=CC=C2)CC3=C(C=C(C=C3)Cl)S(=O)(=O)F)C(=O)COC4=CC(=C(C=C4)Cl)Cl.[Br-]","JCWZMALYLXVOCY-UHFFFAOYSA-M","24196099",NA,"PDBC18076","210884","Present"
-"2-[[3-[[[Cyano(phenyl)methyl]amino]methyl]phenyl]methylamino]-2-phenylacetonitrile","","","","","","","","","","","","","","","","","","","","2,2'-(1,3-phenylenebis(methylene))bis(azanediyl)bis(2-ph...","","C1=CC=C(C=C1)C(C#N)NCC2=CC(=CC=C2)CNC(C#N)C3=CC=CC=C3","GDUKSZNPUNHGQE-UHFFFAOYSA-N","387701",NA,"PDBC18077","681730","Present"
-"2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide","","COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NN=CC3=CC(=C(C=C3)O)OC)C4=CC=C(C=C4)OC","KPKODVBGEKAZLY-RWPZCVJISA-N","135436149",NA,"PDBC18078","710439","Present"
-"2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide","","COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC","CHGFMAJACQYKOR-JFLMPSFJSA-N","9572297",NA,"PDBC18079","710441","Present"
-"2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide","","","","","","","","","","","","","","","","","","","","2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide","","CN(C)C1=CC=C(C=C1)C=NNC(=O)CSC2=NC(=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","CLVPHTPTGBEWAB-STBIYBPSSA-N","9572296",NA,"PDBC18080","710440","Present"
-"2-[[4,6-Bis(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]-4,5-dihydro-1,3-thiazole","","","","","","","","","","","","","","","","","","","","2,4,6-Tris(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine","","C1CSC(=N1)SC2=NC(=NC(=N2)SC3=NCCS3)SC4=NCCS4","FGOCRTPTSNKWRK-UHFFFAOYSA-N","382074",NA,"PDBC18081","669391","Present"
-"2-[[4-(1,3-Benzothiazol-2-yl)-2-methoxyphenoxy]methyl]-10-methyl-[1,2,4]triazolo[1,5-b][1,2,4]benzothiadiazine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","2-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]methyl-10-...","","CN1C2=CC=CC=C2S(=O)(=O)N3C1=NC(=N3)COC4=C(C=C(C=C4)C5=NC6=CC=CC=C6S5)OC","STRTZLYOQXDHIR-UHFFFAOYSA-N","24766464",NA,"PDBC18082","742364","Present"
-"2-[[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl]propanedinitrile","","","","","","","","","","","","","","","","","","","","{(e)-[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl}propanedinitrile","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=NC(C#N)C#N","CUHBWQRUDZZJAX-UHFFFAOYSA-N","402458",NA,"PDBC18083","716429","Present"
-"2-[[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl]propanedinitrile","","","","","","","","","","","","","","","","","","","","{(e)-[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl}propanedinitrile","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N=NC(C#N)C#N","UVWWBHOWBHERDQ-UHFFFAOYSA-N","401258",NA,"PDBC18084","714512","Present"
-"2-[[4-(1-Hydroxypropyl)phenyl]iminomethyl]phenol","","","","","","","","","","","","","","","","","","","","2-[[4-(1-Hydroxypropyl)phenyl]iminomethyl]phenol","","CCC(C1=CC=C(C=C1)N=CC2=CC=CC=C2O)O","LMYDDUSTKCNFEN-UHFFFAOYSA-N","395812",NA,"PDBC18085","700700","Present"
-"2-[[4-(1H-Benzimidazol-2-yl)anilino]diazenyl]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-(1H-Benzimidazol-2-yl)anilino]diazenyl]pentanedioic acid","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NC(CCC(=O)O)C(=O)O","PTPDWQVPUIUAQE-UHFFFAOYSA-N","402062",NA,"PDBC18086","715758","Present"
-"2-[[4-(1H-Benzimidazol-2-yl)anilino]diazenyl]propanoic acid","","","","","","","","","","","","","","","","","","","","2-[[4-(1H-Benzimidazol-2-yl)anilino]diazenyl]propanoic acid","","CC(C(=O)O)N=NNC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2","VWEBBEXXPSZZBN-UHFFFAOYSA-N","402061",NA,"PDBC18087","715757","Present"
-"2-[[4-(1H-Benzimidazol-2-yl)phenyl]diazenyl]propanedinitrile","","","","","","","","","","","","","","","","","","","","{(e)-[4-(1h-Benzimidazol-2-yl)phenyl]diazenyl}propanedinitrile","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NC(C#N)C#N","CRAVFEIKYDYXPC-UHFFFAOYSA-N","402055",NA,"PDBC18088","715751","Present"
-"2-[[4-(1H-Benzimidazol-2-yl)phenyl]iminomethyl]phenol","","","","","","","","","","","","","","","","","","","","2-[[4-(1H-Benzimidazol-2-yl)phenyl]iminomethyl]phenol","","C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)O","BRJNPDFBMUALFN-UHFFFAOYSA-N","402059",NA,"PDBC18089","715755","Present"
-"2-[[4-(2-Benzhydryloxyethyl)piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-(2-Benzhydryloxyethyl)piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid","","COC1=CC2=C(C=C1)C(C(CC2)CN3CCN(CC3)CCOC(C4=CC=CC=C4)C5=CC=CC=C5)O.C(=CC(=O)O)C(=O)O","NQFPSSFISDNFNB-BTJKTKAUSA-N","5471958",NA,"PDBC18090","715593","Present"
-"2-[[4-(2-Bromoacetyl)-1,6-dimethyl-2-oxopyridin-3-yl]methyl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","2-{[4-(Bromoacetyl)-1,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl]methyl}-1h-isoindole-1,3(2h)-dione","","CC1=CC(=C(C(=O)N1C)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)CBr","ZXQJUYHXMDUVBN-UHFFFAOYSA-N","288059",NA,"PDBC18091","148484","Present"
-"2-[[4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanoyl]amino]benzamide","","","","","","","","","","","","","","","","","","","","2-[[4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanoyl]amino]benzamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC=CC=C4C(=O)N","RYEDXKOHIAQBOI-UHFFFAOYSA-N","370977",NA,"PDBC18092","644783","Present"
-"2-[[4-(3-Carboxyquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-(3-Carboxyquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid","","C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","OEYLBZNPROVCHX-UHFFFAOYSA-N","393701",NA,"PDBC18093","696135","Present"
-"2-[[4-(3-Phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-(3-Phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O","GYOPUCSPJOSCLY-UHFFFAOYSA-N","390813",NA,"PDBC18094","688815","Present"
-"2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione","","CCN(CC)C1=CC=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O","ITMUNRMIPBDJRP-UHFFFAOYSA-N","245920",NA,"PDBC18095","58338","Present"
-"2-[[4-(Methoxy)phenyl]amminomethyl]-3-phenyl-5,7-diammino quinoxaline","","","","","","","","","","","","","","","","","","","","2-[[4-(methoxy)phenyl]amminomethyl]-3-phenyl-5,7-diammin...","","COC1=CC=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","WRDZBENXZQGZBQ-UHFFFAOYSA-N","405138",NA,"PDBC18096","722175","Present"
-"2-[[4-Amino-5-[8-[4-amino-5-[(1-hydroxy-2-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol","","","","","","","","","","","","","","","","","","","","2-[[4-Amino-5-[8-[4-amino-5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol","","C1=CC=C2C(=C1)C=CC(=C2O)OCC3=NN=C(N3N)CCCCCCCCC4=NN=C(N4N)COC5=C(C6=CC=CC=C6C=C5)O","OIDAYCSNXVJXMP-UHFFFAOYSA-N","394044",NA,"PDBC18097","697162","Present"
-"2-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanyl]-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazine-4-thione","","","","","","","","","","","","","","","","","","","","2-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanyl]-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazine-4-thione","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CSC3=NC(=S)N4CCNC4=N3","BWJYZHXZNCZGDT-UHFFFAOYSA-N","393953",NA,"PDBC18098","696925","Present"
-"2-[[4-Anilino-5-[8-[4-anilino-5-[(1-hydroxy-2-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol","","","","","","","","","","","","","","","","","","","","2-[[4-Anilino-5-[8-[4-anilino-5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol","","C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C4=CC=CC=C4C=C3)O)CCCCCCCCC5=NN=C(N5NC6=CC=CC=C6)COC7=C(C8=CC=CC=C8C=C7)O","UVKTWWXWFPPPED-UHFFFAOYSA-N","394049",NA,"PDBC18099","697167","Present"
-"2-[[4-[(1,3-Dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)methyl]piperazin-1-yl]methyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-[[4-[(1,3-Dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)methyl]piperazin-1-yl]methyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione","","C1CN(CCN1CN2C(=O)C3CC4=CC=CC=C4CN3C2=O)CN5C(=O)C6CC7=CC=CC=C7CN6C5=O","AGDXSBRQWSRVSZ-UHFFFAOYSA-N","371368",NA,"PDBC18100","645587","Present"
-"2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile","","","","","","","","","","","","","","","","","","","","2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile","","CCC(C#N)NCC1=CC=C(C=C1)CNC(CC)C#N","RXHDPCPJBAUHQE-UHFFFAOYSA-N","387699",NA,"PDBC18101","681728","Present"
-"2-[[4-[(2,3-Dimethoxyquinoxalin-6-yl)methoxy]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[(2,3-Dimethoxyquinoxalin-6-yl)methoxy]benzoyl]amino]pentanedioic acid","","COC1=NC2=C(C=C(C=C2)COC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)N=C1OC","QBKWTOQVYHOPMC-UHFFFAOYSA-N","379476",NA,"PDBC18102","664030","Present"
-"2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-di(tetradecyl)pentanediamide","","","","","","","","","","","","","","","","","","","","2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-di(tetradecyl)pentanediamide","","CCCCCCCCCCCCCCNC(=O)CCC(C(=O)NCCCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","ZHWYGLJJVXABOK-UHFFFAOYSA-N","390191",NA,"PDBC18103","687352","Present"
-"2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-didodecylpentanediamide","","","","","","","","","","","","","","","","","","","","2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-didodecylpentanediamide","","CCCCCCCCCCCCNC(=O)CCC(C(=O)NCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","GEJHGYWJBHHFBZ-UHFFFAOYSA-N","387041",NA,"PDBC18104","680399","Present"
-"2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-dihexylpentanediamide","","","","","","","","","","","","","","","","","","","","2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-dihexylpentanediamide","","CCCCCCNC(=O)CCC(C(=O)NCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","NJZDGXZUYWRFCD-UHFFFAOYSA-N","391379",NA,"PDBC18105","690436","Present"
-"2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]pentanedioic acid; 2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl) methy...","","C1=CC(=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)F)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.C(=O)(C(F)(F)F)O","YWGTVZUAUGVIJQ-UHFFFAOYSA-N","354767",NA,"PDBC18106","607301","Present"
-"2-[[4-[(2-Amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid","","","","","","","","","","","","","","","","","","","","L-Aspartic acid, N-[4-[[(2-amino-4-hydroxy-6-quinazoliny...","","C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)N=C(NC3=O)N","NYOFFAWISINROH-UHFFFAOYSA-N","135443580",NA,"PDBC18107","173552","Present"
-"2-[[4-[(2-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[(2-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid","","C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]","YBRGNQPHDKSWNM-UHFFFAOYSA-N","362705",NA,"PDBC18108","626944","Present"
-"2-[[4-[(3-Carboxybicyclo[2.2.1]hepta-2,5-diene-2-carbonyl)amino]phenyl]carbamoyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[[4-[(3-Carboxybicyclo[2.2.1]hepta-2,5-diene-2-carbonyl)amino]phenyl]carbamoyl]bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid","","C1C2C=CC1C(=C2C(=O)NC3=CC=C(C=C3)NC(=O)C4=C(C5CC4C=C5)C(=O)O)C(=O)O","WBDDDMQUUKAGOQ-UHFFFAOYSA-N","365377",NA,"PDBC18109","632985","Present"
-"2-[[4-[(3-Carboxyquinoxalin-2-yl)amino]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[(3-Carboxyquinoxalin-2-yl)amino]benzoyl]amino]pentanedioic acid","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","JUIRKEQWLVRSKT-UHFFFAOYSA-N","382851",NA,"PDBC18110","670681","Present"
-"2-[[4-[(3-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[(3-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid","","C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O","YJJUZWQDDTWIBL-UHFFFAOYSA-N","362704",NA,"PDBC18111","626943","Present"
-"2-[[4-[(4-Fluorobenzoyl)amino]phenyl]sulfonylamino]acetic acid","","","","","","","","","","","","","","","","","","","","(((4-((4-Fluorobenzoyl)amino)phenyl)sulfonyl)amino)acetic acid","","C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)F","DYVNEIJURRERNJ-UHFFFAOYSA-N","362702",NA,"PDBC18112","626941","Present"
-"2-[[4-[(4-Methoxybenzoyl)amino]phenyl]sulfonylamino]acetic acid","","","","","","","","","","","","","","","","","","","","(((4-((4-Methoxybenzoyl)amino)phenyl)sulfonyl)amino)acetic acid","","COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O","PMAQPUYCCGEXKQ-UHFFFAOYSA-N","362700",NA,"PDBC18113","626939","Present"
-"2-[[4-[(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]ethanol","","","","","","","","","","","","","","","","","","","","1{[(1-(2-hydroxyethoxy)methyl)-1,2,3-triazol-4-yl]methyl...","","CSC1=NC=NC2=C1C=NN2CC3=CN(N=N3)COCCO","PSLFUBPRPFROCK-UHFFFAOYSA-N","399600",NA,"PDBC18114","710497","Present"
-"2-[[4-[(4-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[(4-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid","","C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]","GXDKEGKOGQTQBK-UHFFFAOYSA-N","362703",NA,"PDBC18115","626942","Present"
-"2-[[4-[1-(1-Cyanoethylamino)ethyl]phenyl]methylamino]propanenitrile","","","","","","","","","","","","","","","","","","","","2-[[4-[1-(1-Cyanoethylamino)ethyl]phenyl]methylamino]propanenitrile","","CC(C#N)NCC1=CC=C(C=C1)C(C)NC(C)C#N","YPZZPTIZBDAZSC-UHFFFAOYSA-N","387697",NA,"PDBC18116","681726","Present"
-"2-[[4-[2-(Dimethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride","","","","","","","","","","","","","","","","","","","","2-[[4-[2-(Dimethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride","","CN(C)CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4C2=O.[Cl-]","GSFQUULBCPGRMB-UHFFFAOYSA-N","388662",NA,"PDBC18117","683681","Present"
-"2-[[4-[2-(Dimethylamino)ethylcarbamoyl]-10-methylacridin-10-ium-9-yl]amino]-3-sulfanylpropanoic acid;methyl sulfate","","","","","","","","","","","","","","","","","","","","2-[[4-[2-(Dimethylamino)ethylcarbamoyl]-10-methylacridin-10-ium-9-yl]amino]-3-sulfanylpropanoic acid;methyl sulfate","","C[N+]1=C2C(=C(C3=CC=CC=C31)NC(CS)C(=O)O)C=CC=C2C(=O)NCCN(C)C.COS(=O)(=O)[O-]","XOMLTVCREBXUNT-UHFFFAOYSA-N","393802",NA,"PDBC18118","696569","Present"
-"2-[[4-[2-(Dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-3-methylpentanoic acid","","","","","","","","","","","","","","","","","","","","2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-methyl-pentanoic acid","","CCC(C)C(C(=O)O)NC1=C2C=CC=C(C2=NC3=CC=CC=C31)C(=O)NCCN(C)C","BNQAVSGRANMVFF-UHFFFAOYSA-N","392355",NA,"PDBC18119","692639","Present"
-"2-[[4-[2-(Dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-3-sulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-sulfanyl-propanoic acid","","CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CS)C(=O)O","KAYAWVSZNLTGMJ-UHFFFAOYSA-N","392357",NA,"PDBC18120","692641","Present"
-"2-[[4-[2-(Dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]acetic acid","","CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NCC(=O)O","AWWPLGLGEOZNMG-UHFFFAOYSA-N","392353",NA,"PDBC18121","692637","Present"
-"2-[[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid","","C1CC2=CC=CC=C2C(C1CN3CCN(CC3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O.C(=CC(=O)O)C(=O)O","LDMXUAQNDZCTKE-BTJKTKAUSA-N","5471957",NA,"PDBC18122","715589","Present"
-"2-[[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid","","COC1=CC2=C(C=C1)C(C(CC2)CN3CCN(CC3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O.C(=CC(=O)O)C(=O)O","KFLDZYVBWAXFFP-BTJKTKAUSA-N","5471960",NA,"PDBC18123","715595","Present"
-"2-[[4-[2-[Dimethyl-[(4-nitrophenyl)methyl]azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride","","","","","","","","","","","","","","","","","","","","2-[[4-[2-[Dimethyl-[(4-nitrophenyl)methyl]azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride","","C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C2=O)O)O)CC5=CC=C(C=C5)[N+](=O)[O-].[Cl-]","SVIKEYKFSGZRGM-UHFFFAOYSA-O","388664",NA,"PDBC18124","683682","Present"
-"2-[[4-[Bis(2-bromopropyl)amino]-2-tolyl]azo]benzoic acid","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-[[4-[bis(2-bromopropyl)amino]-2-methylph...","","CC1=C(C=CC(=C1)N(CC(C)Br)CC(C)Br)N=NC2=CC=CC=C2C(=O)O","IUBPTOPNFAZJQA-UHFFFAOYSA-N","38312",NA,"PDBC18125","240419","Present"
-"2-[[4-[Bis(2-hydroxy-5-methyl-phenyl)methyl]phenyl]-(2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenol","","","","","","","","","","","","","","","","","","","","2-[[4-[Bis(2-hydroxy-5-methylphenyl)methyl]phenyl]-(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol","","CC1=CC(=C(C=C1)O)C(C2=CC=C(C=C2)C(C3=C(C=CC(=C3)C)O)C4=C(C=CC(=C4)C)O)C5=C(C=CC(=C5)C)O","LRZZZRWDFFQQGR-UHFFFAOYSA-N","388294",NA,"PDBC18126","682935","Present"
-"2-[[4-[[(2,3-Dimethoxyquinoxaline-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[[(2,3-Dimethoxyquinoxaline-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid","","COC1=NC2=C(C=C(C=C2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)N=C1OC","TXLRWYKHRCXMMP-UHFFFAOYSA-N","380464",NA,"PDBC18127","666060","Present"
-"2-[[4-[[(2-Amino-4-oxo-3H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo- 6-qu...","","C1=CC(=CC=C1CNC2=CC3=C(C=C2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","MXBUWHDMZGKTHK-UHFFFAOYSA-N","135488820",NA,"PDBC18128","289517","Present"
-"2-[[4-[[(3-Carboxyquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[[(3-Carboxyquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioic acid","","C1=CC=C2C(=C1)N=C(C(=N2)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","KTSGGWXJZLGWHK-UHFFFAOYSA-N","390809",NA,"PDBC18129","688811","Present"
-"2-[[4-[[3-Carboxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[[3-Carboxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O","QRESJFSMNUVOBN-UHFFFAOYSA-N","387376",NA,"PDBC18130","681128","Present"
-"2-[[4-[[3-Carboxy-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[[3-Carboxy-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","XVAXMBMHVWFMKJ-UHFFFAOYSA-N","387138",NA,"PDBC18131","680554","Present"
-"2-[[4-[[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O","DSIDFXWFPQEJGN-UHFFFAOYSA-N","362965",NA,"PDBC18132","627456","Present"
-"2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O","QKEWUYZUXTWZJS-UHFFFAOYSA-N","362963",NA,"PDBC18133","627454","Present"
-"2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioic acid","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O","QLJSZTKOLSCUCR-UHFFFAOYSA-N","390815",NA,"PDBC18134","688817","Present"
-"2-[[4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","MKUBWWUWCKDOCT-UHFFFAOYSA-N","362964",NA,"PDBC18135","627455","Present"
-"2-[[4-[[7-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[[7-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid","","C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F","JEHXUBMCFSZBMA-UHFFFAOYSA-N","389672",NA,"PDBC18136","686049","Present"
-"2-[[4-[[[3-Carboxy-7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]benzoyl]amino]pentanedioic acid","","","","","","","","","","","","","","","","","","","","2-[[4-[[[3-Carboxy-7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]benzoyl]amino]pentanedioic acid","","C1=CC(=CC=C1CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)C(=O)NC(CCC(=O)O)C(=O)O","BZUKCYDBVVLSEX-UHFFFAOYSA-N","390811",NA,"PDBC18137","688813","Present"
-"2-[[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol","","C1=CC(=NC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)N(CCO)CCO","KPDWMOLONYWOKN-UHFFFAOYSA-N","390341",NA,"PDBC18138","687677","Present"
-"2-[[5-(2,5-Dihydroxyphenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","2-(((5-((2,5-Dihydroxyphenyl)thio)-1,3,4-thiadiazol-2-yl)thio)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NN=C(S3)SC4=C(C=CC(=C4)O)O","NWPHHSVSOSBNFK-UHFFFAOYSA-N","385800",NA,"PDBC18139","677194","Present"
-"2-[[5-(3,4-Dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","2-[5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-[1,2,4]triazol-3-...","","COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)C=CC5=CC(=C(C(=C5)OC)OC)OC)OC","SWUMIYIRJYQMFX-GZTJUZNOSA-N","155814763",NA,"PDBC18140","767769","Present"
-"2-[[5-(3,4-Dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","(Z/E)-2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-tria...","","CC(=NO)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC","YHINFONOTQPRMK-LQNQUEJISA-N","76900353",NA,"PDBC18141","764032","Present"
-"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3Cl","ZGKKUJRZJJVCND-UHFFFAOYSA-N","375277",NA,"PDBC18142","654794","Present"
-"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]","HCZMSTACRZIMIV-UHFFFAOYSA-N","375270",NA,"PDBC18143","654787","Present"
-"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)Cl","PNBZECRTPVGDKP-UHFFFAOYSA-N","375278",NA,"PDBC18144","654795","Present"
-"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","XEVHPUJPPIXGEM-UHFFFAOYSA-N","375269",NA,"PDBC18145","654786","Present"
-"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Cl","UWKWKKDQMMTBNU-UHFFFAOYSA-N","375279",NA,"PDBC18146","654796","Present"
-"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","YEHYNBIZHYRJDP-UHFFFAOYSA-N","375268",NA,"PDBC18147","654785","Present"
-"2-[[5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl]-1-cyano-3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]guanidine","","","","","","","","","","","","","","","","","","","","2-[[5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl]-1-cyano-3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]guanidine","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)NC(=NCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)O)NC#N","KXROBYBHRIGHBR-UHFFFAOYSA-N","381006",NA,"PDBC18148","666991","Present"
-"2-[[5-Methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile","","","","","","","","","","","","","","","","","","","","2-[[5-Methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile","","COC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)OC)C=C(C#N)C#N","QFOWLDPQDYHOIU-UHFFFAOYSA-N","44435255",NA,"PDBC18149","749028","Present"
-"2-[[5-Methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl benzoate","","","","","","","","","","","","","","","","","","","","2-[[5-Methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl benzoate","","CC1=CN(C2=C1C(=NC(=N2)SC)SC)COCCOC(=O)C3=CC=CC=C3","KLFHKIZIRXTQMD-UHFFFAOYSA-N","357481",NA,"PDBC18150","616510","Present"
-"2-[[5-[(4-Chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[5-[(4-Chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid","","C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=C(C=C3)Cl","PLFYTBZBUVIOJM-UHFFFAOYSA-N","395270",NA,"PDBC18151","699748","Present"
-"2-[[5-[8-[5-(2,5-Dihydroxyphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,4-diol","","","","","","","","","","","","","","","","","","","","2-[[5-[8-[5-(2,5-dihydroxyphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,4-diol","","C1=CC(=C(C=C1O)SC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)SC4=C(C=CC(=C4)O)O)O","XFLZRSKHXHXXRV-UHFFFAOYSA-N","394056",NA,"PDBC18152","697174","Present"
-"2-[[5-[8-[5-(2-Hydrazinyl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetohydrazide","","","","","","","","","","","","","","","","","","","","2-[[5-[8-[5-(2-Hydrazinyl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetohydrazide","","C(CCCCC1=NN=C(O1)SCC(=O)NN)CCCC2=NN=C(O2)SCC(=O)NN","KFENPKJYLXBDPV-UHFFFAOYSA-N","394066",NA,"PDBC18153","697184","Present"
-"2-[[5-[8-[5-(Carboxymethylsulfanyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[5-[8-[5-(carboxymethylsulfanyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid","","C(CCCCC1=NN=C(O1)SCC(=O)O)CCCC2=NN=C(O2)SCC(=O)O","FYHNGIZFBADSBW-UHFFFAOYSA-N","394067",NA,"PDBC18154","697185","Present"
-"2-[[5-[8-[5-[(1-Hydroxynaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-1-ol","","","","","","","","","","","","","","","","","","","","2-[[5-[8-[5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-1-ol","","C1=CC=C2C(=C1)C=CC(=C2O)OCC3=NN=C(O3)CCCCCCCCC4=NN=C(O4)COC5=C(C6=CC=CC=C6C=C5)O","OCKVEYOSIIGNBI-UHFFFAOYSA-N","394039",NA,"PDBC18155","697157","Present"
-"2-[[6-(Carboxymethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[6-(Carboxymethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]acetic acid","","CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3O2)C(=O)NCC(=O)O)C)C(=O)NCC(=O)O","SVAAASCIDOTRJA-UHFFFAOYSA-N","388808",NA,"PDBC18156","683895","Present"
-"2-[[6-Amino-2-(4-butylanilino)purin-9-yl]methoxy]ethanol","","","","","","","","","","","","","","","","","","","","2-[[6-Amino-2-(4-butylanilino)purin-9-yl]methoxy]ethanol","","CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)COCCO)N","LWHJUZIIFMASRI-UHFFFAOYSA-N","387677",NA,"PDBC18157","681702","Present"
-"2-[[6-[(2-Hydroxy-3,5-dimethylphenyl)methylamino]hexylamino]methyl]-4,6-dimethylphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","2-[[6-[(2-Hydroxy-3,5-dimethylphenyl)methylamino]hexylamino]methyl]-4,6-dimethylphenol;hydrochloride","","CC1=CC(=C(C(=C1)CNCCCCCCNCC2=CC(=CC(=C2O)C)C)O)C.Cl","CLVPCMNSRSRGJN-UHFFFAOYSA-N","24181852",NA,"PDBC18158","11965","Present"
-"2-[[6-[(4-Methoxyphenyl)methyl]-1,3-benzodioxol-5-yl]oxy]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[6-[(4-Methoxyphenyl)methyl]-1,3-benzodioxol-5-yl]oxy]acetic acid","","COC1=CC=C(C=C1)CC2=CC3=C(C=C2OCC(=O)O)OCO3","HQWDQEWHRRLWID-UHFFFAOYSA-N","336345",NA,"PDBC18159","350111","Present"
-"2-[[6-[1-(3,4,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]ethanol","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[[6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-ben...","","CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCO)OCO3","KCQPASVCUVLGJW-UHFFFAOYSA-N","336892",NA,"PDBC18160","352876","Present"
-"2-[[6-[Bis(cyanomethyl)amino]cyclohex-3-en-1-yl]-(cyanomethyl)amino]acetonitrile","","","","","","","","","","","","","","","","","","","","Acetonitrile, 2,2',2'',2'''-(4-cyclohexene-1,2-diyldinitrilo)tetrakis-","","C1C=CCC(C1N(CC#N)CC#N)N(CC#N)CC#N","XYBAHGCPZMKFDG-UHFFFAOYSA-N","384589",NA,"PDBC18161","674602","Present"
-"2-[[6-[[Bis(carboxymethyl)amino]methyl]-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[6-[[Bis(carboxymethyl)amino]methyl]-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid","","C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC(=NC(=C3)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O","RZYIIRHQXGLACC-UHFFFAOYSA-N","369524",NA,"PDBC18162","641379","Present"
-"2-[[7-(Benzylamino)-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-6-yl]amino]ethanol","","","","","","","","","","","","","","","","","","","","2-{[7-(Benzylamino)-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-6-yl]amino}ethanol","","C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)NCCO)N5CCNCC5","PPEZZSQRYRYFMC-UHFFFAOYSA-N","403202",NA,"PDBC18163","717857","Present"
-"2-[[7-[Bis(2-hydroxyethyl)amino]-5-phenyl-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[[7-[Bis(2-hydroxyethyl)amino]-5-phenyl-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol","","C1=CC=C(C=C1)C2=CC(=NC3=C2C=CC(=N3)N(CCO)CCO)N(CCO)CCO","DPIBINRWZWNWNA-UHFFFAOYSA-N","388902",NA,"PDBC18164","684134","Present"
-"2-[[7-[Bis(2-hydroxyethyl)amino]-6-nitro-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[[7-[Bis(2-hydroxyethyl)amino]-6-nitro-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol","","C1=CC(=NC2=NC(=C(C=C21)[N+](=O)[O-])N(CCO)CCO)N(CCO)CCO","KNSXNPCJBHAEPL-UHFFFAOYSA-N","390342",NA,"PDBC18165","687678","Present"
-"2-[[9-(4-Methoxyphenyl)purin-6-yl]amino]-2-methyl-propanoic acid","","","","","","","","","","","","","","","","","","","","2-[[9-(4-Methoxyphenyl)purin-6-yl]amino]-2-methyl-propanoic acid","","CC(C)(C(=O)O)NC1=C2C(=NC=N1)N(C=N2)C3=CC=C(C=C3)OC","XSEFNDFMFFGKKF-UHFFFAOYSA-N","392375",NA,"PDBC18166","692659","Present"
-"2-[[9-(4-Methoxyphenyl)purin-6-yl]amino]acetic acid","","","","","","","","","","","","","","","","","","","","2-[[9-(4-Methoxyphenyl)purin-6-yl]amino]acetic acid","","COC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)NCC(=O)O","XWDZDKGXAJCPEQ-UHFFFAOYSA-N","392373",NA,"PDBC18167","692657","Present"
-"2-[[Amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-5-methoxy-1-methylindole-4,7-dione","","","","","","","","","","","","","","","","","","","","2-(N,N-bis(2-bromoethyl)phosphorodiamidoxy)methyl-1-meth...","","CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N)N(CCBr)CCBr","AOKALVYURCQZDZ-UHFFFAOYSA-N","404935",NA,"PDBC18168","721513","Present"
-"2-[[Amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","Phosphorodiamidic acid, N,N-bis(2-bromoethyl)-, (1,4-dio...","","C1=CC=C2C(=C1)C(=O)C=C(C2=O)COP(=O)(N)N(CCBr)CCBr","ISYZCIXZTRIBDU-UHFFFAOYSA-N","390536",NA,"PDBC18169","688023","Present"
-"2-[[Amino-[bis(2-chloroethyl)amino]phosphoryl]oxymethyl]-5-methoxy-1-methylindole-4,7-dione","","","","","","","","","","","","","","","","","","","","2-(N,N-bis(2-chloroethyl)phosphorodiamidoxy)methyl-1-met...","","CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N)N(CCCl)CCCl","RZDVBPPNAUBBNJ-UHFFFAOYSA-N","404936",NA,"PDBC18170","721514","Present"
-"2-[[Bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","2-[[Bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(C(O4)OC5=CC=C(C=C5)OC)O)O)O","OXPORIGCBLNTGG-UHFFFAOYSA-N","380511",NA,"PDBC18171","666126","Present"
-"2-[[Bis(aziridin-1-yl)phosphinyl]amino]propanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","L-Alanine, N-[bis(1-aziridinyl)phosphinyl]-, methyl ester","","CC(C(=O)OC)NP(=O)(N1CC1)N2CC2","FYBNXEFRUIOPRX-UHFFFAOYSA-N","357382",NA,"PDBC18172","615830","Present"
-"2-[[Ethoxy(tridecyl)phosphoryl]amino]acetamide","","","","","","","","","","","","","","","","","","","","2-[[Ethoxy(tridecyl)phosphoryl]amino]acetamide","","CCCCCCCCCCCCCP(=O)(NCC(=O)N)OCC","HNGKYNJXWDJGCX-UHFFFAOYSA-N","368415",NA,"PDBC18173","639418","Present"
-"2-[[Methyl(pyridin-2-yl)amino]methyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-{[Methyl(pyridin-2-yl)amino]methyl}-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione","","CN(CN1C(=O)C2CC3=CC=CC=C3CN2C1=O)C4=CC=CC=N4","ZXDGVAMJEFKTIL-UHFFFAOYSA-N","372523",NA,"PDBC18174","647657","Present"
-"2-[[Methyl[3-(2-pyridylmethylamino)propyl]amino]methyl]phenol","","","","","","","","","","","","","","","","","","","","2-[[Methyl[3-(2-pyridylmethylamino)propyl]amino]methyl]phenol","","CN(CCCNCC1=CC=CC=N1)CC2=CC=CC=C2O","QWFGPUPBAJNVBH-UHFFFAOYSA-N","396692",NA,"PDBC18175","703226","Present"
-"2-[[[(E)-(2-Hydroxy-5-nitrophenyl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-(2-Hydroxy-5-nitrophenyl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=O)OCCOCNC(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])O","UWDFAODCUKGBFG-VIZOYTHASA-N","135499230",NA,"PDBC18176","645644","Present"
-"2-[[[(E)-(4-Bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-(4-Bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=O)OCCOCNC(=S)NN=CC1=CC(=CS1)Br","ZSHBVEWMLBWRBO-LHHJGKSTSA-N","9571694",NA,"PDBC18177","645638","Present"
-"2-[[[(E)-(4-Hydroxy-2,3-dimethoxyphenyl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-(4-Hydroxy-2,3-dimethoxyphenyl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=O)OCCOCNC(=S)NN=CC1=C(C(=C(C=C1)O)OC)OC","CUTOWPIDJXBYAI-CAOOACKPSA-N","135499229",NA,"PDBC18178","645643","Present"
-"2-[[[(E)-(5-Bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-(5-Bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=O)OCCOCNC(=S)NN=CC1=CC=C(S1)Br","WOPZYIWBURQISS-MKMNVTDBSA-N","9571695",NA,"PDBC18179","645639","Present"
-"2-[[[(E)-(5-Nitrofuran-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-(5-Nitrofuran-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=O)OCCOCNC(=S)NN=CC1=CC=C(O1)[N+](=O)[O-]","BWNOGKLTDWVWRA-AWNIVKPZSA-N","9571697",NA,"PDBC18180","645642","Present"
-"2-[[[(E)-(5-Nitrothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-(5-Nitrothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=O)OCCOCNC(=S)NN=CC1=CC=C(S1)[N+](=O)[O-]","LZMVHTFJBDZFHR-AWNIVKPZSA-N","9571696",NA,"PDBC18181","645640","Present"
-"2-[[[(E)-1-(Furan-2-yl)ethylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-1-(Furan-2-yl)ethylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=NNC(=S)NCOCCOC(=O)C)C1=CC=CO1","GNXQQYQAODIHLN-NTEUORMPSA-N","5933242",NA,"PDBC18182","645641","Present"
-"2-[[[(E)-1-Pyrazin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-1-Pyrazin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=NNC(=S)NCOCCOC(=O)C)C1=NC=CN=C1","CCHVWXQYTLNSJM-CXUHLZMHSA-N","9571691",NA,"PDBC18183","645634","Present"
-"2-[[[(E)-1-Quinoxalin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-1-Quinoxalin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=NNC(=S)NCOCCOC(=O)C)C1=NC2=CC=CC=C2N=C1","BJRBDJVBXJOKAD-RGVLZGJSSA-N","9571692",NA,"PDBC18184","645635","Present"
-"2-[[[(E)-1-Thiophen-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-1-Thiophen-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=NNC(=S)NCOCCOC(=O)C)C1=CC=CS1","ZQFUDXPIYKTFGW-NTEUORMPSA-N","5875444",NA,"PDBC18185","645637","Present"
-"2-[[[(E)-Quinolin-2-ylmethylideneamino]carbamothioylamino]methoxy]ethyl acetate","","","","","","","","","","","","","","","","","","","","2-[[[(E)-Quinolin-2-ylmethylideneamino]carbamothioylamino]methoxy]ethyl acetate","","CC(=O)OCCOCNC(=S)NN=CC1=NC2=CC=CC=C2C=C1","MUIVGBGZEDGZOI-VCHYOVAHSA-N","9571693",NA,"PDBC18186","645636","Present"
-"2-[[[2-[(4-Aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-4-chlorophenol","","","","","","","","","","","","","","","","","","","","2-[[[2-[(trans-4-aminocyclohexyl)amino]-9-cyclopentyl-9H...","","C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=C(C=CC(=C5)Cl)O","NTFUBXCARKXYCA-UHFFFAOYSA-N","71817954",NA,"PDBC18187","787976","Present"
-"2-[[[3-(Trifluoromethyl)phenyl]carbamothioylamino]methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[[[3-(Trifluoromethyl)phenyl]carbamothioylamino]methylene]propanediamide","","C1=CC(=CC(=C1)NC(=S)NC=C(C(=O)N)C(=O)N)C(F)(F)F","IISLRVXGWWTVGO-UHFFFAOYSA-N","3004557",NA,"PDBC18188","658335","Present"
-"2-[[[4,6-Bis[bis[[2-hydroxyethyl(hydroxymethyl)amino]methyl]amino]-1,3,5-triazin-2-yl]-[[2-hydroxyethyl(hydroxymethyl)amino]methyl]amino]methyl-(hydroxymethyl)amino]ethanol","","","","","","","","","","","","","","","","","","","","2-[[[4,6-Bis[bis[[2-hydroxyethyl(hydroxymethyl)amino]methyl]amino]-1,3,5-triazin-2-yl]-[[2-hydroxyethyl(hydroxymethyl)amino]methyl]amino]methyl-(hydroxymethyl)amino]ethanol","","C(CO)N(CN(CN(CCO)CO)C1=NC(=NC(=N1)N(CN(CCO)CO)CN(CCO)CO)N(CN(CCO)CO)CN(CCO)CO)CO","OKBYLVCUOSIYFA-UHFFFAOYSA-N","384052",NA,"PDBC18189","673171","Present"
-"2-[[[4-(2-Pyridylsulfamoyl)phenyl]carbamothioylamino]methylene]propanediamide","","","","","","","","","","","","","","","","","","","","2-[[[4-(2-Pyridylsulfamoyl)phenyl]carbamothioylamino]methylene]propanediamide","","C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC=C(C(=O)N)C(=O)N","VCMZFDJLJQDEJF-UHFFFAOYSA-N","3004551",NA,"PDBC18190","658327","Present"
-"2-[[[4-[[4-[[(5-Methyl-2,4-diaminopyrido[2,3-d]pyrimidine-6-yl)methyl]amino]benzoyl]amino]-4-carboxybutyl]amino]carbonyl]benzoic acid","","","","","","","","","","","","","","","","","","","","N(sup .alpha.)-[4-[(2,4-Diamino-5-methylpyrido[2,3-d] py...","","CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=C(C=C3)C(=O)NC(CCCNC(=O)C4=CC=CC=C4C(=O)O)C(=O)O)N)N","IAVQJNSRTDVUJY-UHFFFAOYSA-N","393599",NA,"PDBC18191","695788","Present"
-"2-[[[Dimethyl(2-phenylethoxy)silyl]amino]-dimethylsilyl]oxyethylbenzene","","","","","","","","","","","","","","","","","","","","2-[[(Dimethyl-phenethyloxy-silyl)amino]-dimethyl-silyl]oxyethylbenzene","","C[Si](C)(N[Si](C)(C)OCCC1=CC=CC=C1)OCCC2=CC=CC=C2","XWDSFCVHADZQCH-UHFFFAOYSA-N","395864",NA,"PDBC18192","700866","Present"
-"2-[[a-(4-AMYNOBENZOYLOXY)ACETYL]AMYNO]-4-CARBETHOXYMETHYLTHY AZOLE","","","","","","","","","","","","","","","","","","","","2-[[a-(4-AMYNOBENZOYLOXY)ACETYL]AMYNO]-4-CARBETHOXYMETHY...","","CCOC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)N","PWSNOSONPXYNJB-UHFFFAOYSA-N","23887647",NA,"PDBC18193","736267","Present"
-"2-[[a-(4-Aminobenzoyloxy)phenylacetyl]amino]-4-carbethoxymet hylthiazole","","","","","","","","","","","","","","","","","","","","2-[[a-(4-aminobenzoyloxy)phenylacetyl]amino]-4-carbethox...","","CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N","OVRPIJVQQCHLRK-UHFFFAOYSA-N","24205619",NA,"PDBC18194","736273","Present"
-"2-[[a-(4-Chlorobenzoyloxy)phenylacetyl]amino]-4-carbethoxyme thylthiazole","","","","","","","","","","","","","","","","","","","","2-[[a-(4-chlorobenzoyloxy)phenylacetyl]amino]-4-carbetho...","","CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl","OKJOQFPUCGJZRB-UHFFFAOYSA-N","24205618",NA,"PDBC18195","736272","Present"
-"2-[[a-(4-METHOXYBENZOYLOXY)ACETYL]AMINO]-4-CARBETHOXYMETHYLT HIAZOLE","","","","","","","","","","","","","","","","","","","","2-[[a-(4-METHOXYBENZOYLOXY)ACETYL]AMINO]-4-CARBETHOXYMET...","","CCOC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)OC","CSMKRAVEJNVPDZ-UHFFFAOYSA-N","7861871",NA,"PDBC18196","736268","Present"
-"2-[p-Cyanophenyl]-5-chlorobenzimidazole","","","","","","","","","","","","","","","","","","","","UTADKFJRRZDHFW-UHFFFAOYSA-N","","C1=CC(=CC=C1C#N)C2=NC3=C(N2)C=C(C=C3)Cl","UTADKFJRRZDHFW-UHFFFAOYSA-N","376350",NA,"PDBC18197","657182","Present"
-"2-[{6[1-(3,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxol-5yl}oxyl]ethylamine","","","","","","","","","","","","","","","","","","","","2-[{6[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol- ...","","CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCN)OCO3","LIGUTTHNIDGGCQ-UHFFFAOYSA-N","372348",NA,"PDBC18198","647406","Present"
-"2-amino-9h-thiochromeno[3,2-d]thiazol-9-one","","","","","","","","","","","","","","","","","","","","2-amino-9h-thiochromeno[3,2-d]thiazol-9-one","","C1=CC=C2C(=C1)C(=O)C3=C(S2)SC(=N3)N","KCMPIQGYTKTECZ-UHFFFAOYSA-N","391251",NA,"PDBC18199","690148","Present"
-"2-aminoethyl[?]dione","","","","","","","","","","","","","","","","","","","","2-aminoethyl[?]dione","","C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCN","OXWGALQMKPJFLU-UHFFFAOYSA-N","363566",NA,"PDBC18200","628538","Present"
-"2-aminopregn-5-en-3-yl acetate acetate","","","","","","","","","","","","","","","","","","","","2-aminopregn-5-en-3-yl acetate acetate","","CCC1CCC2C1(CCC3C2CC=C4C3(CC(C(C4)OC(=O)C)N)C)C.CC(=O)O","DBWJFDIGSQSORL-UHFFFAOYSA-N","243988",NA,"PDBC18201","54340","Present"
-"2-beta,beta-Dimethylacryloyl)-indole-3-acetic acid histamine amide","","","","","","","","","","","","","","","","","","","","N-[2-(1H-Imidazol-5-yl)ethyl]-2-[2-(3-methylbut-2-enoyl)-1H-indol-3-yl]acetamide","","CC(=CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN=CN3)C","XPNBJYRBEJDTFT-UHFFFAOYSA-N","398075",NA,"PDBC18202","707440","Present"
-"2-beta-D-Ribofuranosyl-4-thiazolecarboxamide","","","","","","","","","","","","","","","","","","","","TIAZOFURIN","","C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=O)N","FVRDYQYEVDDKCR-UHFFFAOYSA-N","323701",NA,"PDBC18203","286193","Present"
-"2-butyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride","","","","","","","","","","","","","","","","","","","","2-butyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride","","CCCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4","PHQOIVHXKPHYCO-UHFFFAOYSA-N","91667600",NA,"PDBC18204","791101","Present"
-"2-chloro-3-(3-dimethylaminopropylamino)-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","2-chloro-3-(3-dimethylaminopropylamino)-1,4-naphthoquinone","","CN(C)CCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl","FLTZGMPLSGEVAO-UHFFFAOYSA-N","31108",NA,"PDBC18205","39349","Present"
-"2-chroman-6-yl-5-(4-pyridyl)oxazole","","","","","","","","","","","","","","","","","","","","2-chroman-6-yl-5-(4-pyridyl)oxazole","","C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=NC=C4)OC1","RCUOEARNYAXURR-UHFFFAOYSA-N","380228",NA,"PDBC18206","665704","Present"
-"2-ethoxyestra-1,3,5-trien-3,17.beta.-diol","","","","","","","","","","","","","","","","","","","","2-ethoxyestra-1,3,5-trien-3,17.beta.-diol","","CCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","GZGPTTWIZTVHKE-BKRJIHRRSA-N","383045",NA,"PDBC18207","671043","Present"
-"2-ethyl estradiol","","","","","","","","","","","","","","","","","","","","2-ethyl estradiol","","CCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","ASARAWRSNVJSBQ-SSGANFLRSA-N","381025",NA,"PDBC18208","667048","Present"
-"2-ethyl-1,3-bis(quinolin-2-ylmethyl)imidazolium bromide","","","","","","","","","","","","","","","","","","","","2-ethyl-1,3-bis(quinolin-2-ylmethyl)imidazolium bromide","","CCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4","MCQKTXLSLSIFBP-UHFFFAOYSA-N","134153076",NA,"PDBC18209","788912","Present"
-"2-i-Propoxyestradiol","","","","","","","","","","","","","","","","","","","","2-i-propoxyestradiol","","CC(C)OC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","BWTGOMPFSKXALJ-PVHGPHFFSA-N","383044",NA,"PDBC18210","671042","Present"
-"2-m-Tolyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","2-m-Tolyl-1H-[1,8]naphthyridin-4-one","","CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=CC=C3","IZFIIAGLKAXALT-UHFFFAOYSA-N","385181",NA,"PDBC18211","676185","Present"
-"2-mercapto-o-acetanisidide, carbamate","","","","","","","","","","","","","","","","","","","","2-mercapto-o-acetanisidide, carbamate","","COC1=CC=CC=C1NC(=O)CSC(=O)N","WZDOMPZYPBKCOE-UHFFFAOYSA-N","224935",NA,"PDBC18212","13801","Present"
-"2-n-Butyl estradiol","","","","","","","","","","","","","","","","","","","","2-n-butyl estradiol","","CCCCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","ZWOYTFHYZDNSHZ-ROKIQVFUSA-N","381927",NA,"PDBC18213","669230","Present"
-"2-n-Pentyl estradiol","","","","","","","","","","","","","","","","","","","","2-n-pentyl estradiol","","CCCCCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","QGIBTURYXYIAOG-PAHONEIHSA-N","381924",NA,"PDBC18214","669227","Present"
-"2-n-Propoxyestradiol","","","","","","","","","","","","","","","","","","","","2-n-propoxyestradiol","","CCCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","XQSOTCUQQRLNNS-PVHGPHFFSA-N","383043",NA,"PDBC18215","671041","Present"
-"2-p-Tolyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","2-p-Tolyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC4C(C(C(C(O4)CO)O)O)O","POMKHQJFWSNINL-UHFFFAOYSA-N","363485",NA,"PDBC18216","628409","Present"
-"2-p-Tolyl-9-oxa-1-aza-4a-azonia-fluorene","","","","","","","","","","","","","","","","","","","","2-p-Tolyl-9-oxa-1-aza-4a-azonia-fluorene","","CC1=CC=C(C=C1)C2=NC3=[N+](C=C2)C4=CC=CC=C4O3.[I-]","UJQUMCILSTWUSH-UHFFFAOYSA-M","382822",NA,"PDBC18217","670558","Present"
-"2-p-anisylbrendan-2-ol","","","","","","","","","","","","","","","","","","","","2-p-anisylbrendan-2-ol","","COC1=CC=C(C=C1)CC2(C3CCC4C3CC2C4)O","GYYZXAGDOGSLBB-UHFFFAOYSA-N","382542",NA,"PDBC18218","670152","Present"
-"2-phenyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride","","","","","","","","","","","","","","","","","","","","2-phenyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride","","C1=CC=C(C=C1)C2=[N+](C=CN2CC3=NC4=CC=CC=C4C=C3)CC5=NC6=CC=CC=C6C=C5","XDAGBXFNPKROFC-UHFFFAOYSA-N","134153837",NA,"PDBC18219","793140","Present"
-"2-phenyl-1-p-toluenesulfonyl-azetidine","","","","","","","","","","","","","","","","","","","","2-phenyl-1-p-toluenesulfonyl-azetidine","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC2C3=CC=CC=C3","HACCQCDRPIBLHF-UHFFFAOYSA-N","362131",NA,"PDBC18220","625706","Present"
-"2-propenyl estradiol","","","","","","","","","","","","","","","","","","","","2-propenyl estradiol","","CC=CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","ZRVQFPQIVGUHNL-POAGYTCXSA-N","5468270",NA,"PDBC18221","667047","Present"
-"2-propyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride","","","","","","","","","","","","","","","","","","","","2-propyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride","","CCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4","ZSHVLUOIFQFDFI-UHFFFAOYSA-N","134157006",NA,"PDBC18222","791100","Present"
-"2-pyrazoline (","","","","","","","","","","","","","","","","","","","","2-pyrazoline (","","CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N)OC","ZJLDBARTVYQASO-CMDGGOBGSA-N","57393763",NA,"PDBC18223","754837","Present"
-"2-trans-n-Buten-1-yl-estradiol","","","","","","","","","","","","","","","","","","","","2-trans-n-buten-1-yl-estradiol","","CCC=CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","ANAMDWGJXBYJEB-UDSNELCOSA-N","5468334",NA,"PDBC18224","669229","Present"
-"2-trans-n-Penten-1-yl estradiol","","","","","","","","","","","","","","","","","","","","2-trans-n-penten-1-yl estradiol","","CCCC=CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","NFBYYCSKVCPRSU-VUYBKYNYSA-N","5468333",NA,"PDBC18225","669228","Present"
-"2-{(2E)-2-[1-(3-Methyl-4H-1,4-benzothiazin-2-yl)ethylidene]hydrazino}-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-{(2E)-2-[1-(3-Methyl-4H-1,4-benzothiazin-2-yl)ethylidene]hydrazino}-2-oxoacetamide","","CC1=NC2=CC=CC=C2SC1=C(C)NNC(=O)C(=O)N","KXXSQSKVABCJNV-FLIBITNWSA-N","5388348",NA,"PDBC18226","635134","Present"
-"2-{(2E)-2-[1-{[(2,5-Dichlorophenyl)amino]carbonyl}-3-(7-methoxy-3-methyl-1,4-dioxidoquinoxalin-2-yl)-3-oxopropylidene]hydrazino}-N,N,N-trimethyl-2-oxoethanaminium chloride","","","","","","","","","","","","","","","","","","","","[2-[(2E)-2-[1-(2,5-Dichloroanilino)-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxobutan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)NC3=C(C=CC(=C3)Cl)Cl.[Cl-]","SIDSBLWDIWMFBP-UHFFFAOYSA-N","9569990",NA,"PDBC18227","630341","Present"
-"2-{(2E)-2-[2-(3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-1-(2-naphthyl)ethylidene]hydrazino}-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-[2-(3-Hydroxy-2-oxo-1H-indol-3-yl)-1-naphthalen-2-ylethylidene]amino]oxamide","","C1=CC=C2C=C(C=CC2=C1)C(=NNC(=O)C(=O)N)CC3(C4=CC=CC=C4NC3=O)O","KNAAVNFUUCPYLP-XIEYBQDHSA-N","6150564",NA,"PDBC18228","632936","Present"
-"2-{(2E)-2-[2-[(4-Acetylphenyl)amino]-2-oxo-1-(pyridin-2-ylmethyl)ethylidene]hydrazino}-N,N,N-trimethyl-2-oxoethanaminium chloride","","","","","","","","","","","","","","","","","","","","[2-[(2E)-2-[1-(4-Acetylanilino)-1-oxo-3-pyridin-2-ylpropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","CC(=O)C1=CC=C(C=C1)NC(=O)C(=NNC(=O)C[N+](C)(C)C)CC2=CC=CC=N2.[Cl-]","GJHWUJGGVBNHLY-UHFFFAOYSA-N","6517030",NA,"PDBC18229","642060","Present"
-"2-{(2E)-2-[3-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)-1-methylpropylidene]hydrazino}-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2-{(2E)-2-[3-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)-1-methylpropylidene]hydrazino}-2-oxoacetamide","","CC(=NNC(=O)C(=O)N)CCN1C(=O)C=CC(=O)N1","GLQYQFNCCBFHBE-WUXMJOGZSA-N","9570028",NA,"PDBC18230","633950","Present"
-"2-{(2E)-3-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(2-hydroxyethyl)triaz-2-enyl}ethanol","","","","","","","","","","","","","","","","","","","","2-{(2E)-3-[4-(1H-benzimidazol-2-yl)phenyl]-1-(2-hydroxye...","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NN(CCO)CCO","CKDRTRDPEUFMOY-UHFFFAOYSA-N","24203870",NA,"PDBC18231","729832","Present"
-"2-{(2Z)-2-[1-(3,6-Dichloro-2-hydroxyphenyl)-2-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)propylidene]hydrazino}-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N'-[(Z)-[1-(3,6-Dichloro-2-hydroxyphenyl)-2-(3-hydroxy-2-oxo-1H-indol-3-yl)propylidene]amino]oxamide","","CC(C(=NNC(=O)C(=O)N)C1=C(C=CC(=C1O)Cl)Cl)C2(C3=CC=CC=C3NC2=O)O","XCMZQLSKBKYPEW-OYKKKHCWSA-N","135483935",NA,"PDBC18232","625913","Present"
-"2-{(2Z)-2-[4-{[2-(Aminocarbonyl)phenyl]amino}-1,2-bis(methoxycarbonyl)-3,4-dioxobutylidene]hydrazino}-N,N,N-trimethyl-2-oxoethanaminium chloride","","","","","","","","","","","","","","","","","","","","[2-[(2Z)-2-[5-(2-Carbamoylanilino)-1-methoxy-3-methoxycarbonyl-1,4,5-trioxopentan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","C[N+](C)(C)CC(=O)NN=C(C(C(=O)C(=O)NC1=CC=CC=C1C(=O)N)C(=O)OC)C(=O)OC.[Cl-]","RPAWVQGWMKFCNX-UHFFFAOYSA-N","9555846",NA,"PDBC18233","642065","Present"
-"2-{(E)-[1-(3-Chloro-5-nitrobenzoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid","","","","","","","","","","","","","","","","","","","","2-{(E)-[1-(3-Chloro-5-nitrobenzoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid","","CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]","FVXHANQYPFMYAF-UHFFFAOYSA-N","362538",NA,"PDBC18234","626612","Present"
-"2-{(E)-[3-Methyl-1-(4-nitrobenzoyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid","","","","","","","","","","","","","","","","","","","","2-{(E)-[3-Methyl-1-(4-nitrobenzoyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid","","CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]","JFFACAUNKYTWPV-UHFFFAOYSA-N","362539",NA,"PDBC18235","626613","Present"
-"2-{(Z)-2-[4-(Dimethylamino)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium chloride--hydrogen chloride (1/1/1)","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride","","CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C)C.Cl.[Cl-]","KLWLDBYSWRVJKO-UHFFFAOYSA-M","54599828",NA,"PDBC18236","31768","Present"
-"2-{2-[4-(3-{4-[2-(6-(4-Methylhexahydro-1-pyrazinyl-1,3-dihydro-1H-benzo[de]isoquinolin-2-yl)ethyl]hexahydro-1-pyrazinyl}propyl)hexahydro-1-pyrazinyl]ethyl}-6-(4-methylhex ahydro-1-pyrazinyl)-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-{2-[4-(3-{4-[2-(6-(4-methylhexahydro-1-pyrazinyl-1,3-d...","","CN1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCN5CCN(CC5)CCCN6CCN(CC6)CCN7C(=O)C8=C9C(=C(C=C8)N1CCN(CC1)C)C=CC=C9C7=O","VWXKLMVZDYKXDU-UHFFFAOYSA-N","24205465",NA,"PDBC18237","735823","Present"
-"2-{4-[(1E)-3-Pyridine-4-yltriaz-1-enyl]phenyl}-1H-benzimidaz ole","","","","","","","","","","","","","","","","","","","","2-{4-[(1E)-3-pyridine-4-yltriaz-1-enyl]phenyl}-1H-benzim...","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NC4=CC=NC=C4","QGPPFPVSISOJET-UHFFFAOYSA-N","24203869",NA,"PDBC18238","729831","Present"
-"2-{4-[3-(3,4-Dichlorophenyl)-2-propenyloxy]phenyl}-methylene-6-dimethylaminomethyl cyclohexanone hydrochloride","","","","","","","","","","","","","","","","","","","","2-{4-[3-(3,4-dichlorophenyl)-2-propenyloxy]phenyl}-methy...","","CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC(=C(C=C3)Cl)Cl)C1=O.Cl","OYQPNDAKJQAUBD-YITQAVLPSA-N","6519685",NA,"PDBC18239","693443","Present"
-"2-{4-[3-(Pyrrolidin-1-ylsulfonyl)pyridin-4-yl]piperazin-1-yl}ethanol","","","","","","","","","","","","","","","","","","","","2-{4-[3-(Pyrrolidin-1-ylsulfonyl)pyridin-4-yl]piperazin-...","","C1CCN(C1)S(=O)(=O)C2=C(C=CN=C2)N3CCN(CC3)CCO","ORDCWPBWLQSOON-UHFFFAOYSA-N","325374",NA,"PDBC18240","293957","Present"
-"2-{4-[4-(4-{4-[6-(4-Methyl piperazino)-1H-benzo[d]imidazole-2-yl]phenoxy}butyl)piperazino]butyl}-2,3-dione","","","","","","","","","","","","","","","","","","","","2-{4-[4-(4-{4-[6-(4-methyl piperazino)-1H-benzo[d]imidaz...","","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCCN5CCN(CC5)CCCCN6C(=O)C7=CC=CC8=C7C(=CC=C8)C6=O","MWKCVFBPBQWGJM-UHFFFAOYSA-N","44218964",NA,"PDBC18241","743430","Present"
-"2-{4-[4-(4-{4-[6-Morpholino-1H-benzo[d]imidazole-2-yl]phenoxy}butyl)piperazino]butyl}-2,3-dione","","","","","","","","","","","","","","","","","","","","2-{4-[4-(4-{4-[6-morpholino-1H-benzo[d]imidazole-2-yl]ph...","","C1CN(CCN1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCCCOC5=CC=C(C=C5)C6=NC7=C(N6)C=C(C=C7)N8CCOCC8","INRUQJPTZWXKRO-UHFFFAOYSA-N","44219117",NA,"PDBC18242","743431","Present"
-"2-{4-[4-(5-Morpholino-1H-benzo[d]imidazol-2-yl)phenoxy]butyl}-2,3-dione","","","","","","","","","","","","","","","","","","","","2-{4-[4-(5-morpholino-1H-benzo[d]imidazol-2-yl)phenoxy]b...","","C1COCCN1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O","QGKRJVRREBVWCS-UHFFFAOYSA-N","45027929",NA,"PDBC18243","740160","Present"
-"2-{5-[4-(5-{4-[6-Morpholino-1H-benzo[d]imidazole-2-yl]phenoxy}pentyl)piperazino]pentyl}-2,3-dione","","","","","","","","","","","","","","","","","","","","2-{5-[4-(5-{4-[6-morpholino-1H-benzo[d]imidazole-2-yl]ph...","","C1CN(CCN1CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCCCCOC5=CC=C(C=C5)C6=NC7=C(N6)C=C(C=C7)N8CCOCC8","QUMCMHPFOMJAAK-UHFFFAOYSA-N","44219118",NA,"PDBC18244","743432","Present"
-"2-{N'-[2-(N'-Acetyl-hydrazino)-4-methyl-thiazole-5-carbonyl]-hydrazino}-N-(2,4-dinitro-phenyl)-2-oxo-acetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,4-dinitrophenyl)-2-oxoacetamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","VVAYYAJKINIGDU-UHFFFAOYSA-N","11980219",NA,"PDBC18245","640969","Present"
-"2-{N'-[2-(N'-Acetyl-hydrazino)-4-methyl-thiazole-5-carbonyl]-hydrazino}-N-(2,5-dimethoxy-phenyl)-2-oxo-acetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,5-dimethoxyphenyl)-2-oxoacetamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=CC(=C2)OC)OC","MUAYQIYLNBGLCG-UHFFFAOYSA-N","369563",NA,"PDBC18246","641427","Present"
-"2-{N'-[2-(N'-Acetyl-hydrazino)-4-methyl-thiazole-5-carbonyl]-hydrazino}-N-(4-chloro-phenyl)-2-oxo-acetamide","","","","","","","","","","","","","","","","","","","","2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(4-chlorophenyl)-2-oxoacetamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC=C(C=C2)Cl","IHJOOMBCIZQOCJ-UHFFFAOYSA-N","369567",NA,"PDBC18247","641433","Present"
-"2-{[(4-Bromophenyl)amino]carbonothioyl}-N-(2-methylimidazo[1,2-a]pyridin-3-yl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","2-{[(4-bromophenyl)amino]carbonothioyl}-N-(2-methylimida...","","CC1=C(N2C=CC=CC2=N1)NC(=O)NNC(=S)NC3=CC=C(C=C3)Br","IZFBJICXDHFPRK-UHFFFAOYSA-N","24205493",NA,"PDBC18248","736047","Present"
-"2-{[(4-Bromophenyl)amino]methyl}-5-(4-methoxybenzylidene)cyclopentanone","","","","","","","","","","","","","","","","","","","","2-{[(4-Bromophenyl)amino]methyl}-5-(4-methoxybenzylidene...","","COC1=CC=C(C=C1)C=C2CCC(C2=O)CNC3=CC=C(C=C3)Br","KEPAOGWDHFGYRH-NTCAYCPXSA-N","5467975",NA,"PDBC18249","661235","Present"
-"2-{[(4-Chlorophenyl)amino]carbonothioyl}-N-(2-methylimidazo[1,2-a]pyridin-3-yl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","2-{[(4-chlorophenyl)amino]carbonothioyl}-N-(2-methylimid...","","CC1=C(N2C=CC=CC2=N1)NC(=O)NNC(=S)NC3=CC=C(C=C3)Cl","GAULLDKETXCPHX-UHFFFAOYSA-N","24205492",NA,"PDBC18250","736046","Present"
-"2-{[(4-Chlorophenyl)sulfonyl]amino}propanoic acid","","","","","","","","","","","","","","","","","","","","CBKinase1_000453","","CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Cl","SGHZTBDKKOKWDI-UHFFFAOYSA-N","362749",NA,"PDBC18251","627005","Present"
-"2-{[(4-Fluorophenyl)amino]carbonothioyl}-N-(2-methylimidazo[1,2-a]pyridin-3-yl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","2-{[(4-fluorophenyl)amino]carbonothioyl}-N-(2-methylimid...","","CC1=C(N2C=CC=CC2=N1)NC(=O)NNC(=S)NC3=CC=C(C=C3)F","QEAIKYJQHCQARJ-UHFFFAOYSA-N","24205491",NA,"PDBC18252","736045","Present"
-"2-{[(4-Methoxyphenyl)sulfonyl]amino}propanoic acid","","","","","","","","","","","","","","","","","","","","6418AE","","CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC","XTCIPBHRVYICGT-UHFFFAOYSA-N","362748",NA,"PDBC18253","627004","Present"
-"2-{[(4-Methylphenyl)sulfonyl]amino}propanoic acid","","","","","","","","","","","","","","","","","","","","NSC627002///NSC627003","","CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)O","LQXKHFZRJYXXFA-UHFFFAOYSA-N","362747",NA,"PDBC18254","627002///627003","Present"
-"2-{[(6-Ethoxy-1,10-dihydro-5-benzo[e] 1,2,4-triazolo[1,5-b][1,2,4] thiadizine-5,5-dione","","","","","","","","","","","","","","","","","","","","2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamy] methyl}-10-...","","CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NN4C(=N3)N(C5=CC=CC=C5S4(=O)=O)C","LVPORUDZFFAZPF-UHFFFAOYSA-N","24180678",NA,"PDBC18255","741380","Present"
-"2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid","","","","","","","","","","","","","","","","","","","","Anthranilic acid, N-[p-[bis(2-chloroethyl)amino]benzylid...","","C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=C(C=C2)N(CCCl)CCCl","MJQQQKFACWBDPW-UHFFFAOYSA-N","265452",NA,"PDBC18256","101492","Present"
-"2-{[2-({[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino}sulfonyl)-5-chloro-4-methylphenyl]thio}butanoic acid","","","","","","","","","","","","","","","","","","","","2-[2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methylphenyl]sulfanylbutanoic acid","","CCC(C(=O)O)SC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)NC2=NC(=NC(=N2)N)N(C)C","FGPRWXULIZEMQN-UHFFFAOYSA-N","378487",NA,"PDBC18257","661087","Present"
-"2-{[4-(Dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-{[4-(Dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione","","CN(C)C1=CC=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O","SOHBBNNFCYTYIL-UHFFFAOYSA-N","245772",NA,"PDBC18258","58011","Present"
-"2-{[5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylamino}-3-(1H-indol-3-yl)-propionic acid methyl ester","","","","","","","","","","","","","","","","","","","","[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid","","COC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O","PAXIHOGDMPLDDH-UHFFFAOYSA-N","384413",NA,"PDBC18259","674188","Present"
-"2-{[5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylamino}-3-phenyl-propionic acid methyl ester","","","","","","","","","","","","","","","","","","","","[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-(1-methoxy-1-oxo-3-phenylpropan-2-yl)phosphonamidic acid","","COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O","YMHTWXJYERSYMA-UHFFFAOYSA-N","384411",NA,"PDBC18260","674186","Present"
-"2-{[Bis(2-hydroxyethyl)amino]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","2-{[Bis(2-hydroxyethyl)amino]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one","","CC1=CN2C(=NC(=CC2=O)CN(CCO)CCO)C=C1","NBMHGLHEKXNNCO-UHFFFAOYSA-N","390354",NA,"PDBC18261","687690","Present"
-"2-{[alpha-(N-Morpholino)]-[2-((E)-3-phenyl-2-propenyloxy)benzyl]}benzotriazole","","","","","","","","","","","","","","","","","","","","2-{[.alpha.-(N-Morpholino)]-[2-((E)-3-phenyl-2-propenylo...","","C1COCCN1C(C2=CC=CC=C2OCC=CC3=CC=CC=C3)N4N=C5C=CC=CC5=N4","PIMGGIQTFBWETK-DHZHZOJOSA-N","5931762",NA,"PDBC18262","671448","Present"
-"2.5-Anhydro-1-(3,4,5-trimethoxyphenyl)-1-[3-hydroxy-4-methoxyphenyl]-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol","","","","","","","","","","","","","","","","","","","","2.5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-[3-hydroxy-4-me...","","CC1(OCC(O1)C2C3C(C(=C(C4=CC(=C(C=C4)OC)O)C5=CC(=C(C(=C5)OC)OC)OC)O2)OC(O3)(C)C)C","HVBSSJMEZFQFCH-ZXUXXAPZSA-N","54576090",NA,"PDBC18263","753427","Present"
-"20(S)-Camptothecin-21-lactam","","","","","","","","","","","","","","","","","","","","20(S)-Camptothecin-21-lactam","","CCC1(C2=C(CNC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O","BADYCAWLXKLLMB-FQEVSTJZSA-N","10450357",NA,"PDBC18264","613799","Present"
-"20,20-Dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione","","","","","","","","","","","","","","","","","","","","20,20-Dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione","","CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=CC=CC=C6C5=O)C","MJYMIWDYXRHICT-UHFFFAOYSA-N","406717",NA,"PDBC18265","724982","Present"
-"20-(4-Chlorophenyl)-16,19-diazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(14),2,4,6,8,10,12,15-octaen-20-ol","","","","","","","","","","","","","","","","","","","","20-(4-Chlorophenyl)-16,19-diazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(14),2,4,6,8,10,12,15-octaen-20-ol","","C1CN2C(=N1)C3=C(C2(C4=CC=C(C=C4)Cl)O)C5=CC=CC=C5C6=CC=CC=C63","BNGGAXDPIFCFSB-UHFFFAOYSA-N","403509",NA,"PDBC18266","718509","Present"
-"20-(Methylamino)-2,3,5,6,8,9,11,12-octahydroanthra[2,3-b][1,4,7,10,13]pentaoxacyclopentadecin-15(20H)-one","","","","","","","","","","","","","","","","","","","","25-(Methylamino)-2,5,8,11,14-pentaoxatetracyclo[13.12.0.017,26.019,24]heptacosa-1(15),16,19,21,23,26-hexaen-18-one","","CNC1C2=CC=CC=C2C(=O)C3=CC4=C(C=C13)OCCOCCOCCOCCO4","URNRSYOFIREMLY-UHFFFAOYSA-N","378127",NA,"PDBC18267","659928","Present"
-"20-Epitabernemontanine","","","","","","","","","","","","","","","","","","","","(-)-Dregamine","","CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C","FFVRRQMGGGTQRH-GYOUQHOJSA-N","6711192",NA,"PDBC18268","177392","Present"
-"20-N,N-Dimethylamino-20-deoxycamptothecin","","","","","","","","","","","","","","","","","","","","20-N,N-dimethylamino-20-deoxycamptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)N(C)C","XYQRXBXBVRVZQV-QFIPXVFZSA-N","395168",NA,"PDBC18269","699469","Present"
-"20-Oxo-20lambda4-thia-10,17-diazapentacyclo[11.7.0.01,17.02,10.04,9]icosa-2,4,6,8-tetraen-18-one","","","","","","","","","","","","","","","","","","","","20-Oxo-20lambda4-thia-10,17-diazapentacyclo[11.7.0.01,17.02,10.04,9]icosa-2,4,6,8-tetraen-18-one","","C1CC2CCN3C4=CC=CC=C4C=C3C25N(C1)C(=O)CS5=O","JRJNKCMPFWGBFE-UHFFFAOYSA-N","397451",NA,"PDBC18270","705309","Present"
-"20-Thia-10,17-diazahexacyclo[11.7.0.01,17.02,10.03,19.04,9]icosa-2,4,6,8-tetraen-18-one","","","","","","","","","","","","","","","","","","","","20-Thia-10,17-diazahexacyclo[11.7.0.01,17.02,10.03,19.04,9]icosa-2,4,6,8-tetraen-18-one","","C1CC2CCN3C4=CC=CC=C4C5=C3C26N(C1)C(=O)C5S6","ITNGIFCBHPWDIL-UHFFFAOYSA-N","397450",NA,"PDBC18271","705308","Present"
-"20-[(2S)-2,3-Dihydroxypropyl]-15,16-difluoro-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione","","","","","","","","","","","","","","","","","","","","(S)-6-(2,3-dihydroxypropyl)-2,3-difluoro-5H-[1,3]dioxolo...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4CC(CO)O)F)F","ILEBIIJILXMXHG-QMMMGPOBSA-N","122660205",NA,"PDBC18272","782770","Present"
-"21-Thia-3,13-diazahexacyclo[13.5.1.01,13.02,10.04,9.015,19]henicosa-2(10),4,6,8-tetraen-14-one","","","","","","","","","","","","","","","","","","","","21-Thia-3,13-diazahexacyclo[13.5.1.01,13.02,10.04,9.015,19]henicosa-2(10),4,6,8-tetraen-14-one","","C1CC2CC34C5=C(CCN3C(=O)C2(C1)S4)C6=CC=CC=C6N5","ONTYSFPWMUHROE-UHFFFAOYSA-N","397457",NA,"PDBC18273","705315","Present"
-"21-[2-(Dimethylamino)ethyl]-17-hydroxy-16-methoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one","","","","","","","","","","","","","","","","","","","","2-(2-hydroxy-3-methoxy-13-oxo-[1,3]dioxolo[4',5':4,5]ben...","","CN(C)CCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)O)OC","SGRBAVOESVMEMX-UHFFFAOYSA-N","68308034",NA,"PDBC18274","782074","Present"
-"21-[3-(2,4-Dichlorophenyl)propyl]-16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene","","","","","","","","","","","","","","","","","","","","13-[3'-(2"""",4""""- dichlorophenyl)propyl] berberine chloride","","COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCCC6=C(C=C(C=C6)Cl)Cl)OC","HBGBZHJEGVLWMK-UHFFFAOYSA-N","155816782",NA,"PDBC18275","785287","Present"
-"22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-5,7,9,15,17,19(25)-hexaen-2-ol","","","","","","","","","","","","","","","","","","","","22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-5,7,9,15,17,19(25)-hexaen-2-ol","","C1CC1CN2CCC34C5C6C(CC3(C2CC7=C4C(=CC=C7)O5)O)C8=CC=CC=C8N6","VSRCXPMQGPUFPL-UHFFFAOYSA-N","398251",NA,"PDBC18276","707850","Present"
-"22-Hydroxytingenone","","","","","","","","","","","","","","","","","","","","22-Hydroxytingenone","","CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(C(C1=O)O)C","QIRUFAFQGKOTKA-YKUCPAPWSA-N","389017",NA,"PDBC18277","684506","Present"
-"22-Methyl-16-(1-phenyltetrazol-5-yl)oxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol","","","","","","","","","","","","","","","","","","","","4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazol-8a(9H)-...","","CN1CCC23C4C5=C(CC2(C1CC6=C3C(=C(C=C6)OC7=NN=NN7C8=CC=CC=C8)O4)O)C9=CC=CC=C9N5","ZEXMQXDLHHQAAX-UHFFFAOYSA-N","398620",NA,"PDBC18278","708568","Present"
-"22-Thia-3,13-diazahexacyclo[13.6.1.01,13.02,10.04,9.015,20]docosa-2(10),4,6,8-tetraen-14-one","","","","","","","","","","","","","","","","","","","","22-Thia-3,13-diazahexacyclo[13.6.1.01,13.02,10.04,9.015,20]docosa-2(10),4,6,8-tetraen-14-one","","C1CCC23C(C1)CC4(S2)C5=C(CCN4C3=O)C6=CC=CC=C6N5","IUDDMVGPYGGSEH-UHFFFAOYSA-N","397458",NA,"PDBC18279","705316","Present"
-"23,1-c] [1,4]Oxaazacyclohentriacontine-1,5,11,28,29-pentone-, 1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31, 32,33,34,34a-tetracosahydro-27-hydroxy-10,21-dimethoxy-3-[2-[3-methoxy-4-[1-oxo-3-(dimethylamino)propoxy]cyclohexyl]-1-methylethyl]-6,8,12,14,20,26-hexamethyl-9-[1-oxo-3-(dimethylamino)propoxy]-, stereoisomer","","","","","","","","","","","","","","","","","","","","23,27-Epoxy-3H-pyrido[2,1-c] [1,4]oxaazacyclohentriacont...","","CCN(CC)CCC(=O)OC1CCC(CC1OC)CC(C)C2CC(=O)C(C=C(C(C(C(=O)C(CC(C=CC=CC=C(C(CC3CCC(C(O3)(C(=O)C(=O)N4CCCCC4C(=O)O2)O)C)OC)C)C)C)OC)OC(=O)CCN(CC)CC)C)C","ORVYOCOKBVMPLA-XGBKAKJLSA-N","54600729",NA,"PDBC18280","643248","Present"
-"23-Methyl-20,26-dioxa-3,14-diazapentacyclo[25.2.2.24,7.210,13.216,19]heptatriaconta-1(30),2,4,6,10,12,14,16(33),17,19(32),27(31),28,34,36-tetradecaene","","","","","","","","","","","","","","","","","","","","23-Methyl-20,26-dioxa-3,14-diazapentacyclo[25.2.2.24,7.210,13.216,19]heptatriaconta-1(30),2,4,6,10,12,14,16(33),17,19(32),27(31),28,34,36-tetradecaene","","CC1CCOC2=CC=C(C=C2)C=NC3=CC=C(CCC4=CC=C(C=C4)N=CC5=CC=C(C=C5)OCC1)C=C3","PFVYKINPSCKERY-UHFFFAOYSA-N","395245",NA,"PDBC18281","699721","Present"
-"23-Methyl-ursodeoxycholic acid (alpha)","","","","","","","","","","","","","","","","","","","","23-Methyl-ursodeoxycholic acid (.alpha.)","","CC(CC(C)C(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)O)C","DZHVFBBPRZSBGN-SNTYEERESA-N","376835",NA,"PDBC18282","657953","Present"
-"23-O-Acetylshengmanol xyloside","","","","","","","","","","","","","","","","","","","","23-O-acetylshengmanol xyloside","","CC(CC(C1C(O1)(C)C)OC(=O)C)C2C(=O)C(C3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)C)C)O","IHEJMZHKJYHVFF-QBTGIYHESA-N","399180",NA,"PDBC18283","709752","Present"
-"24,24-Dimethyl-23-oxaheptacyclo[14.6.1.118,21.01,18.02,15.04,13.06,11]tetracosa-4,6,8,10,12-pentaene-3,14,17-trione","","","","","","","","","","","","","","","","","","","","24,24-Dimethyl-23-oxaheptacyclo[14.6.1.118,21.01,18.02,15.04,13.06,11]tetracosa-4,6,8,10,12-pentaene-3,14,17-trione","","CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=CC7=CC=CC=C7C=C6C5=O)C","LUKSTSSLQKQBOQ-UHFFFAOYSA-N","406718",NA,"PDBC18284","724983","Present"
-"24-Epibrassinolide","","","","","","","","","","","","","","","","","","","","Brassinolide","","CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O","IXVMHGVQKLDRKH-UHFFFAOYSA-N","3239",NA,"PDBC18285","325306","Present"
-"24-Methyl-20,28-dioxa-3,14-diazapentacyclo[27.2.2.24,7.210,13.216,19]nonatriaconta-1(32),2,4,6,10,12,14,16(35),17,19(34),29(33),30,36,38-tetradecaene","","","","","","","","","","","","","","","","","","","","24-Methyl-20,28-dioxa-3,14-diazapentacyclo[27.2.2.24,7.210,13.216,19]nonatriaconta-1(32),2,4,6,10,12,14,16(35),17,19(34),29(33),30,36,38-tetradecaene","","CC1CCCOC2=CC=C(C=C2)C=NC3=CC=C(CCC4=CC=C(C=C4)N=CC5=CC=C(C=C5)OCCC1)C=C3","SBAYUZVXQIEWSU-UHFFFAOYSA-N","395247",NA,"PDBC18286","699723","Present"
-"24-Methylenecholesta-5,5alpha,6beta,19-tetraol","","","","","","","","","","","","","","","","","","","","24-Methylenecholesta-5,24(28)-diene-3.beta.,5.alpha.,6.b...","","CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)CO)O)C","XAJQLFZWCOBXMJ-VJENCBHGSA-N","398795",NA,"PDBC18287","708931","Present"
-"25-Dihydrosaframycin A","","","","","","","","","","","","","","","","","","","","25-dihydrosaframycin a","","CC1=C(C(=O)C2=C(C1=O)CC3C4C5=C(CC(N4C)C(N3C2CNC(=O)C(C)O)C#N)C(=O)C(=C(C5=O)OC)C)OC","CAMSTDAAQJKEMB-UHFFFAOYSA-N","100180",NA,"PDBC18288","357503","Present"
-"25-O-acetylcimigenol xyloside","","","","","","","","","","","","","","","","","","","","25-O-acetylcimigenol xyloside","","CC1CC2C(OC3(C1C4(CCC56CC57CCC(C(C7CCC6C4(C3O)C)(C)C)OC8C(C(C(CO8)O)O)O)C)O2)C(C)(C)OC(=O)C","NNFJPOSVDKIWPO-WBPSWEDNSA-N","399182",NA,"PDBC18289","709754","Present"
-"26-mer non-antisense aptameric oligodeoxynucleotide,~5'-...","","","","","","","","","","","","","","","","","","","","26-mer non-antisense aptameric oligodeoxynucleotide,~5'-...","","","","",NA,"PDBC18290","722113","Present"
-"26-p-E-Coumaroyloxy Ussolic Acid","","","","","","","","","","","","","","","","","","","","26-p-E-Coumaroyloxy Ussolic Acid","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)COC(=O)C=CC6=CC=C(C=C6)O)C(=O)O","RZHJGXXCTIXCRI-URLOHVAJSA-N","5459190",NA,"PDBC18291","640471","Present"
-"27-p-Z-Coumaroyloxy ussolic acid","","","","","","","","","","","","","","","","","","","","27-p-Z-Coumaroyloxy ussolic acid","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)COC(=O)C=CC6=CC=C(C=C6)O)C(=O)O","RZHJGXXCTIXCRI-IBVAPBFGSA-N","5466666",NA,"PDBC18292","640464","Present"
-"28,28-Dimethyl-27-oxaoctacyclo[18.6.1.122,25.01,22.02,19.04,17.05,14.08,13]octacosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione","","","","","","","","","","","","","","","","","","","","28,28-Dimethyl-27-oxaoctacyclo[18.6.1.122,25.01,22.02,19.04,17.05,14.08,13]octacosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione","","CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=C(C5=O)C=CC7=C6C=CC8=CC=CC=C87)C","CIXNNOOGDHMPDB-UHFFFAOYSA-N","406719",NA,"PDBC18293","724984","Present"
-"296CFO5QF6","","","","","","","","","","","","","","","","","","","","296CFO5QF6","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)C3=CC(=O)C(=O)C4=CC=CC=C43","STWDPXLKJOBSQW-UHFFFAOYSA-N","386891",NA,"PDBC18294","679749","Present"
-"2ARYL BENIMIDAZOLE","","","","","","","","","","","","","","","","","","","","2ARYL BENIMIDAZOLE","","C1=CC=C2C(=C1)NC(=N2)C3=C(C=C(C=C3)N)O","ANUZUKHFRJRBFU-UHFFFAOYSA-N","135578129",NA,"PDBC18295","731097","Present"
-"2G-421S","","","","","","","","","","","","","","","","","","","","2G-421S","","CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC3=CC=C(C=C3)Cl)C","MNEIZAPQFYIETJ-UHFFFAOYSA-N","383892",NA,"PDBC18296","672768","Present"
-"2G5-1E10 antibody","","","","","","","","","","","","","","","","","","","","2G5-1E10 antibody","","","","",NA,"PDBC18297","740294","Present"
-"2H,6H-Pyrido[1'',2'':3',4']imidazo[1',5':1,2]pyrido[3,4-b]indole, 1,3,4,8,9,14,14b,14c-octahydro-6-(2-nitrophenyl)-, (14bR)-","","","","","","","","","","","","","","","","","","","","(2R)-9-(2-Nitrophenyl)-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene","","C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=C5[N+](=O)[O-])C6=CC=CC=C6N4","CLPYZIKKIHOWQZ-GTMAMOSYSA-N","365688",NA,"PDBC18298","633541","Present"
-"2H-1,2,6-Thiadiazine-3,5(4H,6H)-dione, 2,6-bis(2-phenylethyl)-4-(2-thienylmethylene)-, 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2H-1,2,6-Thiadiazine-3,5(4H,6H)-dione, 2,6-bis(2-phenylethyl)-4-(2-thienylmethylene)-, 1,1-dioxide","","C1=CC=C(C=C1)CCN2C(=O)C(=CC3=CC=CS3)C(=O)N(S2(=O)=O)CCC4=CC=CC=C4","QRBGDEQRAGWLQF-UHFFFAOYSA-N","373940",NA,"PDBC18299","650969","Present"
-"2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-diethyl-","","","","","","","","","","","","","","","","","","","","2H-1,3,5-Thiadiazine-2-thione, 3,5-diethyltetrahydro-","","CCN1CN(C(=S)SC1)CC","OHCTUHSHPBLSJY-UHFFFAOYSA-N","96036",NA,"PDBC18300","49194","Present"
-"2H-1,3-Benzothiadiazin-4-amine, N-[(4-fluorophenyl) methyl]-, 1,1-dioxide","","","","","","","","","","","","","","","","","","","","2H-1,2,3-Benzothiadiazin-4-amine, N-[(4-fluorophenyl) me...","","C1=CC=C2C(=C1)C(=NCC3=CC=C(C=C3)F)NNS2(=O)=O","VYRXJABLUQTIJZ-UHFFFAOYSA-N","135408923",NA,"PDBC18301","645787","Present"
-"2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-","","","","","","","","","","","","","","","","","","","","2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-pyrro...","","C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3","XWNMORIHKRROGW-UHFFFAOYSA-N","64983",NA,"PDBC18302","66020","Present"
-"2H-1,4-Benzothiazin-3(4H)-one 1-oxide","","","","","","","","","","","","","","","","","","","","2H-1,4-Benzothiazin-3(4H)-one 1-oxide","","C1C(=O)NC2=CC=CC=C2S1=O","ZMXXJTYWZJLIKV-UHFFFAOYSA-N","369804",NA,"PDBC18303","641997","Present"
-"2H-1,5-Benzodiazepin-2-one, 7-chloro-5-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-1,3,4,5-tetrahydro-4-methyl-","","","","","","","","","","","","","","","","","","","","7-Chloro-5-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CCN(CC)CC1CCCCN1CC(=O)N2C(CC(=O)NC3=C2C=C(C=C3)Cl)C","JFHMBOHEIJCTAZ-UHFFFAOYSA-N","375586",NA,"PDBC18304","655400","Present"
-"2H-1-Benzopyran, 6-chloro-2-(1-naphthalenyl)-3-nitro-","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran, 6-chloro-2-(1-naphthalenyl)-3-nitro-","","C1=CC=C2C(=C1)C=CC=C2C3C(=CC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]","YMXKIRWWZRAINA-UHFFFAOYSA-N","381154",NA,"PDBC18305","667472","Present"
-"2H-1-Benzopyran-2-one, 6-chloro-3-imidazo[2,1-b]thiazol-6-yl-","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-2-one, 6-chloro-3-imidazo[2,1-b]thiazol-6-yl-","","C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C3=CN4C=CSC4=N3","XMVLBIGDGOEAST-UHFFFAOYSA-N","403453",NA,"PDBC18306","718320","Present"
-"2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-4-methyl-","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-4-methyl-","","CC1=CC(=O)OC2=CC(=C(C(=C12)OC)O)OC","WXTIUSAQMSOLIH-UHFFFAOYSA-N","390801",NA,"PDBC18307","688799","Present"
-"2H-1-Benzopyran-2-one,3,4-thiadiazol-2-yl)-","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-2-one, 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-","","C1=CC=C(C=C1)C2=NN=C(S2)C3=CC4=CC=CC=C4OC3=O","NWITZPQNPPJOKT-UHFFFAOYSA-N","397074",NA,"PDBC18308","704387","Present"
-"2H-1-Benzopyran-2-one,8-[[bis(2-chloroethyl)amino]methyl]-7-hydroxy-4-phenyl-, hydrochloride","","","","","","","","","","","","","","","","","","","","8-[Bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-phenylchromen-2-one;hydrochloride","","C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CN(CCCl)CCCl)O.Cl","VBGNCESEWRZYIM-UHFFFAOYSA-N","24188553",NA,"PDBC18309","77041","Present"
-"2H-1-Benzopyran-3-carboxamide, 2-imino-N-(1-adamantyl)-","","","","","","","","","","","","","","","","","","","","2h-1-benzopyran-3-carboxamide, 2-imino-n-(1-adamantyl)-","","C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=CC=CC=C5OC4=N","UNUQVOHZVLVWRT-UHFFFAOYSA-N","397086",NA,"PDBC18310","704399","Present"
-"2H-1-Benzopyran-3-carboxamide, 2-imino-N-(2-thiazolyl)-","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-3-carboxamide, 2-imino-N-(2-thiazolyl)-","","C1=CC=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=NC=CS3","JBEDGVHCWKYLCO-UHFFFAOYSA-N","397084",NA,"PDBC18311","704397","Present"
-"2H-1-Benzopyran-3-carboxamide, 6-(chloromethyl)-2-oxo-N-pentyl-","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-3-carboxamide, 6-(chloromethyl)-2-oxo-N-...","","CCCCCNC(=O)C1=CC2=C(C=CC(=C2)CCl)OC1=O","ACSDNUUONNFHFX-UHFFFAOYSA-N","402500",NA,"PDBC18312","716526","Present"
-"2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-,...","","CCOC(=O)C1=CC2=C(C=C(C=C2OC)OC)OC1=O","ASYOKKGAMBQUSB-UHFFFAOYSA-N","269666",NA,"PDBC18313","111119","Present"
-"2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-hydroxy-2-oxo-","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-hydroxy-2-oxo-","","C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(C=C(C=C4)O)OC3=O)C#N","NUMVQHABHCWBHI-UHFFFAOYSA-N","135455479",NA,"PDBC18314","608069","Present"
-"2H-2,4a-Epoxyphenanthrene-1,3,4-tricarboxylic acid, 1,9,10,10a-tetrahydro-, 3,4-dimethyl 1-(2-propenyl) ester","","","","","","","","","","","","","","","","","","","","13-O,14-O-Dimethyl 11-O-prop-2-enyl 15-oxatetracyclo[10.2.1.01,10.02,7]pentadeca-2,4,6,13-tetraene-11,13,14-tricarboxylate","","COC(=O)C1=C(C23C(CCC4=CC=CC=C42)C(C1O3)C(=O)OCC=C)C(=O)OC","RGWUSULOYBHXHZ-UHFFFAOYSA-N","379167",NA,"PDBC18315","663579","Present"
-"2H-Benz[f]indazole, 4,4a,5,6,7,8,8a,9-octahydro-4-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","2H-Benz[f]indazole, 4,4a,5,6,7,8,8a,9-octahydro-4-(4-methoxyphenyl)-","","COC1=CC=C(C=C1)C2C3CCCCC3CC4=C2C=NN4","OMCUTTNTEPEQMB-UHFFFAOYSA-N","383211",NA,"PDBC18316","671327","Present"
-"2H-Benzopyran-2, 6beta-phenyltetrahydro-","","","","","","","","","","","","","","","","","","","","2H-Benzopyran-2,4-diol, 6.beta.-phenyltetrahydro-","","C1C(CC(OC1C2=CC=CC=C2)O)O","LVCXTYWOMITDAU-YVNMAJEFSA-N","362561",NA,"PDBC18317","626643","Present"
-"2H-Cyclohepta[b]furan-2-one, octahydro-5-hydroxy-6-methyl-8-(2-methyl-1-oxobutoxy)-3-methylene-7-(1-oxo-2-butenyl)-","","","","","","","","","","","","","","","","","","","","2H-Cyclohepta[b]furan-2-one, octahydro-5-hydroxy- 6-meth...","","CCC(C)C(=O)OC1C2C(CC(C(C1(C(=O)C=CC)O)C)O)C(=C)C(=O)O2","WFHINDLSACGWNX-WWAUHBDUSA-N","21672237",NA,"PDBC18318","701593","Present"
-"2H-Imidazol-2-one, 4-benzoyl-3-[4-bromo-2-(methylthio)phenyl]-1,3-dihydro-5-(methylthio)-1-phenyl-","","","","","","","","","","","","","","","","","","","","2H-Imidazol-2-one, 4-benzoyl-3-[4-bromo-2-(methylthio)phenyl]-1,3-dihydro-5-(methylthio)-1-phenyl-","","CSC1=C(C=CC(=C1)Br)N2C(=C(N(C2=O)C3=CC=CC=C3)SC)C(=O)C4=CC=CC=C4","ASJJQFZFGSRVDC-UHFFFAOYSA-N","382378",NA,"PDBC18319","669936","Present"
-"2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(2-chlorophenyl)-","","","","","","","","","","","","","","","","","","","","2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(2-chlorophenyl)-","","C1CSC2=NC3=C(C(N2C1=O)C4=CC=CC=C4Cl)C5=CC=CC=C5C3=O","RYSIDVORKGPAKT-UHFFFAOYSA-N","369424",NA,"PDBC18320","641194","Present"
-"2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(4-chlorophenyl)-","","","","","","","","","","","","","","","","","","","","2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(4-chlorophenyl)-","","C1CSC2=NC3=C(C(N2C1=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5C3=O","PGLXSQXLORVPFN-UHFFFAOYSA-N","369425",NA,"PDBC18321","641195","Present"
-"2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(4-fluorophenyl)-","","","","","","","","","","","","","","","","","","","","2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(4-fluorophenyl)-","","C1CSC2=NC3=C(C(N2C1=O)C4=CC=C(C=C4)F)C5=CC=CC=C5C3=O","VJPBQRQQBDAPFC-UHFFFAOYSA-N","369416",NA,"PDBC18322","641186","Present"
-"2H-Indol-2-one,3-dihydro-3-(2,2-dimethoxyethyl)-1-[[[2-(trimethylsilyl)ethyl]oxy]methyl]-3-[2-(phenylamino)ethyl]-","","","","","","","","","","","","","","","","","","","","2H-Indol-2-one, 1,3-dihydro-3-(2,2-dimethoxyethyl)- 1-[[...","","COC(CC1(C2=CC=CC=C2N(C1=O)COCC[Si](C)(C)C)CCNC3=CC=CC=C3)OC","BMYZSAZKNZIZRM-UHFFFAOYSA-N","393200",NA,"PDBC18323","694688","Present"
-"2H-Indol-2-one,3-dihydro-3-[1,3-dihydro-3-[(2-hydroxy-2-methylpropoxy)imino]-2H-indol-2-ylidene]-, (3Z)-","","","","","","","","","","","","","","","","","","","","2H-Indol-2-one, 1,3-dihydro-3-[1,3-dihydro- 3-[(2-hydrox...","","CC(C)(CON=C1C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O)O","WNRATXIQFKTBAX-QJOMJCCJSA-N","135436296",NA,"PDBC18324","717836","Present"
-"2H-Isoindole, 1-(4,6-difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-(2-phenylethyl)-","","","","","","","","","","","","","","","","","","","","2H-Isoindole, 1-(4,6-difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-(2-phenylethyl)-","","CCSC1=C2C=CC=CC2=C(N1CCC3=CC=CC=C3)C4=NC(=NC(=N4)F)F","ASFQKGYSOLOLOU-UHFFFAOYSA-N","373225",NA,"PDBC18325","649232","Present"
-"2H-Isoindole-2-acetic acid,3-dihydro-1,3-dioxo-, methyl ester","","","","","","","","","","","","","","","","","","","","2H-Isoindole-2-acetic acid, .alpha.-(4-chloro-3-oxobutyl...","","COC(=O)C(CCC(=O)CCl)N1C(=O)C2=CC=CC=C2C1=O","OYKOYIWBGZHTMK-UHFFFAOYSA-N","299982",NA,"PDBC18326","174005","Present"
-"2H-Isoquinolin-1-one,4-dichlorophenyl)-7-nitro-","","","","","","","","","","","","","","","","","","","","2H-Isoquinolin-1-one, 3-amino-2-(2-benzothiazolyl)-4-(3,...","","C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC(=C(C=C5)Cl)Cl)N","KMLKJYGOJNWQMQ-UHFFFAOYSA-N","395233",NA,"PDBC18327","699708","Present"
-"2H-Pyran-4-acetaldehyde, 3-(aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-","","","","","","","","","","","","","","","","","","","","2H-Pyran-4-acetaldehyde, 3-(aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-","","C=CC(C=O)C1(CCOC(=O)C1=CN)O","GBJQPSBGSKNYHV-VMPITWQZSA-N","5853730",NA,"PDBC18328","734792","Present"
-"2H-Pyrido[4,3-b][1,4]thiazin-3(4H)-one","","","","","","","","","","","","","","","","","","","","Pyrido[4,3-b][1,4]thiazolin-3(4H)-one","","C1C(=O)NC2=C(S1)C=CN=C2","GUGWLRYNQDGMSE-UHFFFAOYSA-N","373078",NA,"PDBC18329","648929","Present"
-"2H-Tetrazolium,5-diphenyl-chloride","","","","","","","","","","","","","","","","","","","","2H-Tetrazolium, 3-(2-biphenylyl)-2,5-diphenyl- chloride","","C1=CC=C(C=C1)C2=CC=CC=C2[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]","ULTPUDJGJBDADN-UHFFFAOYSA-M","24189419",NA,"PDBC18330","89172","Present"
-"2H-Thieno[3',5]cyclopent[1,2-d]oxazole-2,7(7aH)-dione,4,6-dibromo-3,3a-dihydro-","","","","","","","","","","","","","","","","","","","","2H-Thieno[3',4':4,5]cyclopent[1,2-d]oxazole- 2,7(7aH)-di...","","C12C(C(=O)C3=C(SC(=C31)Br)Br)OC(=O)N2","MMTKAAVXVCBXFI-NQXXGFSBSA-N","383027",NA,"PDBC18331","671009","Present"
-"2H-Thieno[3',5]cyclopenta[1,2-d][1,3]oxazole-2,7(3H)-dione, 4,6-dichloro-3a,7a-dihydro-, (cis)-","","","","","","","","","","","","","","","","","","","","2H-Thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazole- 2,7(3...","","C12C(C(=O)C3=C(SC(=C31)Cl)Cl)OC(=O)N2","BYWUOXFHZWXCQT-UCORVYFPSA-N","5469536",NA,"PDBC18332","689602","Present"
-"2H-Triazole-4,5-dicarbohydrazide","","","","","","","","","","","","","","","","","","","","1H-Triazole-4,5-dicarbohydrazide","","C1(=NNN=C1C(=O)NN)C(=O)NN","YFGFXLNOZXMDSD-UHFFFAOYSA-N","386604",NA,"PDBC18333","679057","Present"
-"2H-Triazolo[4,5-d]pyridazin-4-amine","","","","","","","","","","","","","","","","","","","","1H-Triazolo[4,5-d]pyridazin-4-amine","","C1=NN=C(C2=NNN=C21)N","IETZPSZPJLVYHW-UHFFFAOYSA-N","391402",NA,"PDBC18334","690575","Present"
-"2H11-1E11 antibody","","","","","","","","","","","","","","","","","","","","2H11-1E11 antibody","","","","",NA,"PDBC18335","740293","Present"
-"2M-719","","","","","","","","","","","","","","","","","","","","2M-719","","CC1(C2CCC(O1)(C(=O)OC2=O)C)C","NSSRDPPMRIIGCQ-UHFFFAOYSA-N","392706",NA,"PDBC18336","693423","Present"
-"2Me-10Oxothiazoloacridine","","","","","","","","","","","","","","","","","","","","2Me-10Oxothiazoloacridine","","CC1=NC2=C(S1)C=C3C(=C2)NC4=CC=CC=C4C3=O","UYKDXAGVOUDQQR-UHFFFAOYSA-N","372425",NA,"PDBC18337","647538","Present"
-"2N-738","","","","","","","","","","","","","","","","","","","","2N-738","","CC1=C(C(=NC(=N1)SC)Cl)CCCl","BMJPWOWQPVBEDT-UHFFFAOYSA-N","378326",NA,"PDBC18338","660335","Present"
-"2N2Ph-S-4ClPh","","","","","","","","","","","","","","","","","","","","2N2Ph-S-4ClPh","","","","",NA,"PDBC18339","627711","Present"
-"2[(3,7-Diamino quinoxaline","","","","","","","","","","","","","","","","","","","","2[(3,4-dicloro)benzylamino]-3-phenyl-5,7-diamino quinoxa...","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NCC4=CC(=C(C=C4)Cl)Cl)N)N","NNGOKNNYOCPIFG-UHFFFAOYSA-N","24203445",NA,"PDBC18340","728038","Present"
-"2[4'Aminobiphenyl]5,6dichlorobenzimidazole","","","","","","","","","","","","","","","","","","","","2[4'aminobiphenyl]5,6dichlorobenzimidazole","","C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=NC4=CC(=C(C=C4N3)Cl)Cl","ZDMGQQVDRCHQSE-UHFFFAOYSA-N","24205088",NA,"PDBC18341","734231","Present"
-"2[4'Aminonaphtyl]5methylbenzimidazole","","","","","","","","","","","","","","","","","","","","2[4'aminonaphtyl]5methylbenzimidazole","","CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C4=CC=CC=C43)N","HHBCXAIQUVMGAI-UHFFFAOYSA-N","24205087",NA,"PDBC18342","734230","Present"
-"2[4-(Fluoro)phenoxy]-3-phenyl-5,7-diaminoquinoxaline","","","","","","","","","","","","","","","","","","","","2[4-(fluoro)phenoxy]-3-phenyl-5,7-diaminoquinoxaline","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2OC4=CC=C(C=C4)F)N)N","MBKJCNYBKFBOEH-UHFFFAOYSA-N","24204258",NA,"PDBC18343","731128","Present"
-"2[5(2-Thiophenaldehyde-5-yl)p-phenylene]benzimidazole","","","","","","","","","","","","","","","","","","","","2[5(2-Thiophenaldehyde-5-yl)p-phenylene]benzimidazole","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C4=CC=C(S4)C=O","RNIHRDPOMOQIAI-UHFFFAOYSA-N","24203654",NA,"PDBC18344","729029","Present"
-"2[5(2-Thiophenaldehyde-5-yl)p-phenylene]benzothiazole","","","","","","","","","","","","","","","","","","","","2[5(2-thiophenaldehyde-5-yl)p-phenylene]benzothiazole","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(S4)C=O","QVDOFKBKRDXAQC-UHFFFAOYSA-N","24203187",NA,"PDBC18345","727093","Present"
-"2[5(Thieno-2-yl1,1-dicyanoethylene)p-phenylene]benzothiazole","","","","","","","","","","","","","","","","","","","","2[5(thieno-2-yl1,1-dicyanoethylene)p-phenylene]benzothia...","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(S4)C=C(C#N)C#N","XNVUIVQBHLYOGC-UHFFFAOYSA-N","24203188",NA,"PDBC18346","727094","Present"
-"2[5H]-Furanone,(S)-","","","","","","","","","","","","","","","","","","","","ranunculin (8ci)","","C1=CC(=O)OC1COC2C(C(C(C(O2)CO)O)O)O","TYWXNGXVSZRXNA-ANYYLMFCSA-N","5459107",NA,"PDBC18347","616960","Present"
-"2[[4-(Methoxy)phenyl]aminomethyl]-6,8-diaminoquinoxaline","","","","","","","","","","","","","","","","","","","","2[[4-(methoxy)phenyl]aminomethyl]-6,8-diaminoquinoxaline","","COC1=CC=C(C=C1)CNC2=NC3=C(C=C(C=C3N=C2)N)N","CCSMHKYQILDXAQ-UHFFFAOYSA-N","24204637",NA,"PDBC18348","732389","Present"
-"2a-(Acetyloxy)-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","2a-(Acetyloxy)-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylic acid","","CC(=O)OC12C(C(C1C(=O)O)C(=O)O)C3=CC=CC=C3C4=CC=CC=C24","AVZSESMPTLEEHD-UHFFFAOYSA-N","372339",NA,"PDBC18349","647397","Present"
-"2alpha,3-Bis(4-chlorophenyl)-5beta-(ethylthiomethyl)tetrahydrofuran-3alpha-ol","","","","","","","","","","","","","","","","","","","","(2R,3S,5S)-2,3-Bis(4-chlorophenyl)-5-(ethylsulfanylmethyl)oxolan-3-ol","","CCSCC1CC(C(O1)C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O","MZQWGRUXGQLQIR-OTWHNJEPSA-N","24950062",NA,"PDBC18350","743046","Present"
-"2alpha,3-Bis(4-fluorophenyl)-5beta-(ethylthiomethyl)tetrahydrofuran-3alpha-ol","","","","","","","","","","","","","","","","","","","","(2R,3S,5S)-5-(Ethylsulfanylmethyl)-2,3-bis(4-fluorophenyl)oxolan-3-ol","","CCSCC1CC(C(O1)C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O","KSWBTGHFYZZVQQ-OTWHNJEPSA-N","24901217",NA,"PDBC18351","743047","Present"
-"2alpha,3-Diphenyl-5beta-(ethylthiomethyl)tetrahydrofuran-3alpha-ol","","","","","","","","","","","","","","","","","","","","(2R,3S,5S)-5-(Ethylsulfanylmethyl)-2,3-diphenyloxolan-3-ol","","CCSCC1CC(C(O1)C2=CC=CC=C2)(C3=CC=CC=C3)O","RUUWBZKPWQALDA-OTWHNJEPSA-N","45028501",NA,"PDBC18352","743045","Present"
-"2alpha,3alpha-Diphenyl-6-hydroxy-4-morpholinecarboxylic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","NSC686510","","CC(C)(C)OC(=O)N1CC(OC(C1C2=CC=CC=C2)C3=CC=CC=C3)O","YNCJNOIKMJWBMP-JLMCIHFGSA-N","389882",NA,"PDBC18353","686510","Present"
-"2alpha,5beta-Bis(5-bromo-1H-indole-3-yl)piperazine","","","","","","","","","","","","","","","","","","","","1H-Indole, 3,3'-(2,5-piperazinediyl)bis(5-bromo-, trans-","","C1C(NCC(N1)C2=CNC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br","LLFCFVFHRMTXOG-BGYRXZFFSA-N","6712395",NA,"PDBC18354","679834","Present"
-"2alpha-(4-Hydroxyphenyl)-5-[(E)-3-oxo-3-methoxy-1-propenyl]-2,3-dihydrobenzofuran-3beta-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (2S,3S)-2-(4-hydroxyphenyl)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate","","COC(=O)C=CC1=CC2=C(C=C1)OC(C2C(=O)OC)C3=CC=C(C=C3)O","OHPHDTVMEYVQCA-NSEXEMKPSA-N","5468718",NA,"PDBC18355","675006","Present"
-"2alpha-Methylcortisol acetate","","","","","","","","","","","","","","","","","","","","Corticosterone, 17-hydroxy-2.alpha.-methyl-, 21-acetate","","CC1CC2(C3C(CCC2=CC1=O)C4CCC(C4(CC3O)C)(C(=O)COC(=O)C)O)C","IKJVLEFNIBROAJ-GUTMJZMYSA-N","223250",NA,"PDBC18356","12602","Present"
-"2alpha-Propargyl-3beta-hydroxylupa-20(29)-ene-28-oic acid","","","","","","","","","","","","","","","","","","","","NSC791847","","CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)CC#C)C)C)C(=O)O","LKVUJKQFDKDRNW-IFEISFGFSA-N","132936817",NA,"PDBC18357","791847","Present"
-"2beta,4,17-Trione","","","","","","","","","","","","","","","","","","","","2.beta.,3.beta.-Epoxyestr-5(10)-en-1,4,17-trione","","CC12CCC3C(C1CCC2=O)CCC4=C3C(=O)C5C(C4=O)O5","QIEIWVFVOIJSOH-LGTYMXBSSA-N","404215",NA,"PDBC18358","720382","Present"
-"2beta-(2-Methoxyphenyl)-2,3,3abeta,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole-6abeta-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl(2r,3as,6as)-2-(2-methoxyphenyl)-1,2,3,3a,4,6-hexahydrothieno[3,4-b]pyrrole-6a-carboxylate","","COC1=CC=CC=C1C2CC3CSCC3(N2)C(=O)OC","AZWXUVDULOWXDF-HCKVZZMMSA-N","396298",NA,"PDBC18359","702005","Present"
-"2beta-(3,4-Dimethoxyphenyl)-5-[(E)-2-(methoxycarbonyl)ethenyl]-7-methoxy-2,3-dihydrobenzofuran-3alpha-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","3-Benzofurancarboxylic acid, 2-(3,4-dimethoxyphenyl)-2,3...","","COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC)C(=O)OC)OC","PSIYZHFYCJVWJB-ULJFZEHQSA-N","10788645",NA,"PDBC18360","791871","Present"
-"2k2s,s?","","","","","","","","","","","","","","","","","","","","2k2s,s?","","","","",NA,"PDBC18361","760474","Present"
-"2m2pm","","","","","","","","","","","","","","","","","","","","2m2pm","","C[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)C.[I-]","XPOIQAIBZGSIDD-UHFFFAOYSA-M","54601194",NA,"PDBC18362","10517","Present"
-"2nd Precursor Intermediate to TDP 665759","","","","","","","","","","","","","","","","","","","","2nd Precursor Intermediate to TDP 665759","","CC(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N2C(C(=NC3=C(C2=O)C=C(C=C3)I)OCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl","BBVKBPDBDNFHQH-OLILMLBXSA-N","155808493",NA,"PDBC18363","756878","Present"
-"3'',4''-Diacetylafzelin","","","","","","","","","","","","","","","","","","","","SL-0101","","CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C","SXOZSDJHGMAEGZ-UHFFFAOYSA-N","14825856",NA,"PDBC18364","703081","Present"
-"3',3'''-Dithio-[3,3''-dithiobis(6,6'-dimethoxybiphenyl-2,2'-diol)]","","","","","","","","","","","","","","","","","","","","3,12,15,24-Tetramethoxy-7,8,19,20-tetrathiapentacyclo[19.3.1.12,6.19,13.114,18]octacosa-1(24),2,4,6(28),9(27),10,12,14,16,18(26),21(25),22-dodecaene-25,26,27,28-tetrol","","COC1=C2C3=C(C=CC(=C3O)SSC4=C(C(=C(C=C4)OC)C5=C(C=CC(=C5O)SSC(=C2O)C=C1)OC)O)OC","SHTIVYHBZQHROY-UHFFFAOYSA-N","402151",NA,"PDBC18365","716011","Present"
-"3',4'-Dimethoxy-7-hydroxy-8-methylisoflavan","","","","","","","","","","","","","","","","","","","","3',4'-Dimethoxy-7-hydroxy-8-methylisoflavan","","CC1=C(C=CC2=C1OCC(C2)C3=CC(=C(C=C3)OC)OC)O","OFRBAEIYLSMBIS-UHFFFAOYSA-N","353131",NA,"PDBC18366","600291","Present"
-"3',4'-Ethylendithio-avarone","","","","","","","","","","","","","","","","","","","","3',4'-Ethylendithio-avarone","","CC1CCC2(C(C1(C)CC3=CC(=O)C4C(C3=O)SCCS4)CCC=C2C)C","AXFPIUJESBLGJQ-LZMUAGCCSA-N","6712611",NA,"PDBC18367","700504","Present"
-"3',4'-dimethoxy-4-methylchalcone","","","","","","","","","","","","","","","","","","","","3',4'-dimethoxy-4-methylchalcone","","CC1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)OC","MBFUXAKECSBERE-CSKARUKUSA-N","5721486",NA,"PDBC18368","749221","Present"
-"3',4-Dihydroxy-3,4',5-trimethoxy-6'-methyl chalcone","","","","","","","","","","","","","","","","","","","","3',4-Dihydroxy-3,4',5-trimethoxy-6'-methyl chalcone","","CC1=CC(=C(C=C1C(=O)C=CC2=CC(=C(C(=C2)OC)O)OC)O)OC","IYFJRILZYVZKHH-AATRIKPKSA-N","5459193",NA,"PDBC18369","641521","Present"
-"3',5'''-Dihydroxyrobustaflavone","","","","","","","","","","","","","","","","","","","","5',3'''-dihydroxy-robustaflavona","","C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C(=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O)O)O","JMMCAUBTQWVZOE-UHFFFAOYSA-N","5469100",NA,"PDBC18370","683137","Present"
-"3',5'-Dichloromethotrexate","","","","","","","","","","","","","","","","","","","","dichloroamethopterin","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl","MCEHFIXEKNKSRW-UHFFFAOYSA-N","31010",NA,"PDBC18371","29630","Present"
-"3'-(2-Hydroxy-2-adamantyl)spiro[adamantane-2,5'-tetrahydrofuran]-2'-one","","","","","","","","","","","","","","","","","","","","3'-(2-Hydroxy-2-adamantyl)spiro[adamantane-2,5'-oxolane]-2'-one","","C1C2CC3CC1CC(C2)C34CC(C(=O)O4)C5(C6CC7CC(C6)CC5C7)O","LLHZVXNVHFKRNL-UHFFFAOYSA-N","375825",NA,"PDBC18372","656073","Present"
-"3'-(p-Chlorobenzoyl)spiro(indoline-3,2'-oxiran)-2-one","","","","","","","","","","","","","","","","","","","","Spiro[3H-indole-3,2'-oxirane]-2-one, 3'- (4-chlorophenyl...","","C1=CC=C2C(=C1)C3(C(O3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N2","JGPRLTQNSPLADH-UHFFFAOYSA-N","359733",NA,"PDBC18373","621179","Present"
-"3'-Amino-4'-methoxyflavone","","","","","","","","","","","","","","","","","","","","3'-Amino-4'-methoxyflavone","","COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)N","MREGTIYNMVRPMI-UHFFFAOYSA-N","366283",NA,"PDBC18374","634633","Present"
-"3'-Benzoyl-5,7-dichlorospiro[1H-indole-3,2'-oxirane]-2-one","","","","","","","","","","","","","","","","","","","","3'-Benzoyl-5,7-dichlorospiro[1H-indole-3,2'-oxirane]-2-one","","C1=CC=C(C=C1)C(=O)C2C3(O2)C4=C(C(=CC(=C4)Cl)Cl)NC3=O","FTUTYMVOKVWCIV-UHFFFAOYSA-N","366631",NA,"PDBC18375","635306","Present"
-"3'-Benzoylspiro[indoline-3,2'-oxirane]-2-one","","","","","","","","","","","","","","","","","","","","3'-Benzoylspiro[1H-indole-3,2'-oxirane]-2-one","","C1=CC=C(C=C1)C(=O)C2C3(O2)C4=CC=CC=C4NC3=O","BOOIGQMUXQLUDZ-UHFFFAOYSA-N","359738",NA,"PDBC18376","621184","Present"
-"3'-C-Ethinylcytidine","","","","","","","","","","","","","","","","","","","","3'-C-ethinylcytidine","","C#CC1(C(OC(C1O)N2C=CC(=NC2=O)N)CO)O","JFIWEPHGRUDAJN-UHFFFAOYSA-N","405420",NA,"PDBC18377","722662","Present"
-"3'-C-Ethynylcytidylyl-(5'->1)-2-O-octadecyl-sn-glycerylyl-(3->5')-5-fluoro-2'-deoxyuridine","","","","","","","","","","","","","","","","","","","","3'-C-ethynylcytidylyl-(5'->1)-2-O-octadecyl-sn-glyceryly...","","CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O","UHJJESPRAOPJRE-UHFFFAOYSA-N","24202802",NA,"PDBC18378","725986","Present"
-"3'-C-Ethynylcytidylyl-(5'->5')-5-fluoro-2'-deoxyuridine","","","","","","","","","","","","","","","","","","","","3'-C-ethynylcytidylyl-(5'->5')-5-fluoro-2'-deoxyuridine","","C#CC1(C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O)O","VBMGTDYZLRFRRJ-UHFFFAOYSA-N","24202801",NA,"PDBC18379","725985","Present"
-"3'-Carboxypropionyl-(Z)-combretastatin A-4","","","","","","","","","","","","","","","","","","","","3'-Carboxypropionyl-(Z)-combretastatin A-4","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC(=O)CCC(=O)O","BRHUMXPSUSFJQJ-WAYWQWQTSA-N","5466667",NA,"PDBC18380","640519","Present"
-"3'-Chloro-2-hydroxy-2'-methyl-3-nitrobenzanilide","","","","","","","","","","","","","","","","","","","","3'-Chloro-3-nitro-o-salicylotoluidide","","CC1=C(C=CC=C1Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","AHMRPRVEPUCPGA-UHFFFAOYSA-N","332278",NA,"PDBC18381","328477","Present"
-"3'-Chloroflavanone","","","","","","","","","","","","","","","","","","","","3'-Chloroflavanone","","C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)Cl","MJHFWRDRSUAJIU-UHFFFAOYSA-N","242064",NA,"PDBC18382","50189","Present"
-"3'-Deoxy-3'-fluorothymidine","","","","","","","","","","","","","","","","","","","","3'-fluorothymidine","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)F","UXCAQJAQSWSNPQ-UHFFFAOYSA-N","284240",NA,"PDBC18383","140025","Present"
-"3'-Fluoroacetophenoneisonicotinoylhydrazone","","","","","","","","","","","","","","","","","","","","3'-fluoroacetophenoneisonicotinoylhydrazone","","CC(=NNC(=O)C1=CC=NC=C1)C2=CC(=CC=C2)F","VYHUBJBKUBHBLB-LICLKQGHSA-N","9555930",NA,"PDBC18384","655517","Present"
-"3'-Hydroxycyclohex-1'-eno-1',17-3-O-methylestra-1,3,5(10),16(16H)-tetraen-3-ol","","","","","","","","","","","","","","","","","","","","3'-Hydroxycyclohex-1'-eno-1',6':16,17-3-O-methylestra-1,...","","CC12CCC3C(C1CC4C2=CC(CC4)O)CCC5=C3C=CC(=C5)OC","FUKCPUJNQFECFK-UHFFFAOYSA-N","24205249",NA,"PDBC18385","734746","Present"
-"3'-Hydroxydaunorubicin","","","","","","","","","","","","","","","","","","","","3'-Hydroxydaunorubicin","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)O","QAFPIRVGDWNCDV-JYZNYWJRSA-N","323563",NA,"PDBC18386","284682","Present"
-"3'-O-(Carboxymethyl)-(Z)-Combretastatin 4-A, hydrate [1:1:2]","","","","","","","","","","","","","","","","","","","","3'-O-(Carboxymethyl)-(Z)-Combretastatin 4-A, Na salt, hy...","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)O.[Na+]","WEGDYWKRFGTGAR-YSMBQZINSA-N","54611297",NA,"PDBC18387","643813","Present"
-"3'-O-Demethylpervilleanone","","","","","","","","","","","","","","","","","","","","3'-O-Demethylpervilleanone","","CC(C)(C=C)C1=C(C(=C(C(=C1)C2COC3=C(C2=O)C=CC(=C3)O)O)O)OC","KNQQUXVBDOWOCQ-AWEZNQCLSA-N","401430",NA,"PDBC18388","715085","Present"
-"3'-O-Methyl-evomonoside","","","","","","","","","","","","","","","","","","","","Neriifolin","","CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O","VPUNMTHWNSJUOG-VZCPFXLZSA-N","276293",NA,"PDBC18389","123976","Present"
-"3'a,5'-Dimethyl-3'-methylidene-1'-trimethylsilylspiro[cyclopropane-1,4'-pentalene]-2'-one","","","","","","","","","","","","","","","","","","","","3'a,5'-Dimethyl-3'-methylidene-1'-trimethylsilylspiro[cyclopropane-1,4'-pentalene]-2'-one","","CC1=CC2=C(C(=O)C(=C)C2(C13CC3)C)[Si](C)(C)C","OKTPDGYISLYJGZ-UHFFFAOYSA-N","403718",NA,"PDBC18390","718919","Present"
-"3(2H)-Benzoxazoleacetamide, 6-(4-morpholinylacetyl)-2-oxo-","","","","","","","","","","","","","","","","","","","","3(2H)-Benzoxazoleacetamide, 6-(4-morpholinylacetyl)-2-oxo-","","C1COCCN1CC(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N","FSJNTAJRSLPAQQ-UHFFFAOYSA-N","391452",NA,"PDBC18391","690656","Present"
-"3(2H)-Isothiazolone","","","","","","","","","","","","","","","","","","","","3-Isothiazolone","","C1=CSNC1=O","MGIYRDNGCNKGJU-UHFFFAOYSA-N","96917",NA,"PDBC18392","93489","Present"
-"3(2H)-Pyridazinone, 4,5-dihydro-2-(2-benzothiazolyl)-6-phenyl-","","","","","","","","","","","","","","","","","","","","3(2H)-Pyridazinone, 2-(2-benzothiazolyl)-6-phenyl","","C1CC(=O)N(N=C1C2=CC=CC=C2)C3=NC4=CC=CC=C4S3","VJJUKKBNPFYKGX-UHFFFAOYSA-N","364042",NA,"PDBC18393","629659","Present"
-"3, 1,7-Bis(dimethylamino)-4-[(4-hydroxyphenyl)methylene]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","3,5-Heptanedione, 1,7-bis(dimethylamino)-4-[(4-hydroxyph...","","CN(C)CCC(=O)C(=CC1=CC=C(C=C1)O)C(=O)CCN(C)C.Cl","UKAOASHQFBVNOC-UHFFFAOYSA-N","54607616",NA,"PDBC18394","340307","Present"
-"3, 4',4''-Di-2-imidazolin-2-yl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","3,5-Pyridinedicarboxanilide, 4',4''-di-2-imidazolin-2-yl...","","C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl","WJAIRRQHWSZBGH-UHFFFAOYSA-N","54609656",NA,"PDBC18395","63697","Present"
-"3,10,10c-Trimethyl-5-methylene-2,3,4b,5,6,7,10b,10c-octahydrooxireno[2'',3'':6',7']indeno[5',4':3,4]cyclohepta[1,2-b]furan-4(1aH)-one","","","","","","","","","","","","","","","","","","","","2,7,17-Trimethyl-11-methylidene-3,15-dioxapentacyclo[8.8.0.02,4.05,9.014,18]octadeca-5(9),14(18),16-trien-8-one","","CC1CC2=C(C1=O)C3C(C4=C(CCC3=C)OC=C4C)C5(C2O5)C","NYOZISPQGMMMQQ-UHFFFAOYSA-N","368921",NA,"PDBC18396","640326","Present"
-"3,10-Dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol;iodide","","","","","","","","","","","","","","","","","","","","3,10-Dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol;iodide","","C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)OC)O)O)OC.[I-]","FMZMCTQXCZYFMH-UHFFFAOYSA-N","389052",NA,"PDBC18397","684672","Present"
-"3,10-Dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3,10-Dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione","","CC1=CC=C(C=C1)S(=O)(=O)C(C2C3=CC=CC=C3N(C4=C2C(=O)N(C(=O)N4)C)C)SC","BVRBLYUZQUMELI-UHFFFAOYSA-N","370134",NA,"PDBC18398","642724","Present"
-"3,10-Dimethyl-7-(4-nitrophenyl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene","","","","","","","","","","","","","","","","","","","","3,10-Dimethyl-7-(4-nitrophenyl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene","","CN1CCC2=C1C3=C(N=C2C4=CC=C(C=C4)[N+](=O)[O-])N(CC3)C","LSEPAJZJDIHBAY-UHFFFAOYSA-N","359466",NA,"PDBC18399","620331","Present"
-"3,10-Dimethyl-7-phenyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene","","","","","","","","","","","","","","","","","","","","3,10-Dimethyl-7-phenyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene","","CN1CCC2=C1C3=C(N=C2C4=CC=CC=C4)N(CC3)C","QVQFTJNZZABFBJ-UHFFFAOYSA-N","359464",NA,"PDBC18400","620329","Present"
-"3,10-Dimethyl-7-pyridin-3-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene","","","","","","","","","","","","","","","","","","","","3,10-Dimethyl-7-pyridin-3-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene","","CN1CCC2=C1C3=C(N=C2C4=CN=CC=C4)N(CC3)C","VZGWQQFANDKWAR-UHFFFAOYSA-N","359467",NA,"PDBC18401","620332","Present"
-"3,10a-Diphenyl-5a,6,7,8,9,9a-hexahydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]benzothiazine","","","","","","","","","","","","","","","","","","","","3,10a-Diphenyl-5a,6,7,8,9,9a-hexahydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]benzothiazine","","C1CCC2C(C1)CN3C(=NOC3(S2)C4=CC=CC=C4)C5=CC=CC=C5","HIYZCGIQTOFBHX-UHFFFAOYSA-N","373385",NA,"PDBC18402","649612","Present"
-"3,11,12-Trimethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine","","","","","","","","","","","","","","","","","","","","3,11,12-Trimethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine","","COC1=CC2=C(C=C1)C3CC4=CC(=C(C=C4CN3CCC2)OC)OC","INSURNUHNKZZSV-UHFFFAOYSA-N","384193",NA,"PDBC18403","673599","Present"
-"3,11,12-Trimethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine","","","","","","","","","","","","","","","","","","","","3,11,12-Trimethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine","","COC1=CC2=C(C=C1)C3CC4=CC(=C(C=C4CCN3CC2)OC)OC","VXYFAEIFTILDKD-UHFFFAOYSA-N","390002",NA,"PDBC18404","686925","Present"
-"3,11,19-Tribenzyl-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol","","","","","","","","","","","","","","","","","","","","3,11,19-Tribenzyl-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol","","CC1=CC2=C(C(=C1)CN(CC3=CC(=CC(=C3O)CN(CC4=C(C(=CC(=C4)C)CN(C2)CC5=CC=CC=C5)O)CC6=CC=CC=C6)C)CC7=CC=CC=C7)O","DUKLXQLQDKXPKL-UHFFFAOYSA-N","380453",NA,"PDBC18405","666035","Present"
-"3,11-Bis(2-chloroethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane;hydrochloride","","","","","","","","","","","","","","","","","","","","3,11-Bis(2-chloroethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane;hydrochloride","","C1CN(CCC12SC3(CCN(CC3)CCCl)SS2)CCCl.Cl","DKTFRPYLLUKBMU-UHFFFAOYSA-N","54610551",NA,"PDBC18406","165757","Present"
-"3,11-Dibenzyl-7,14,15-trithia-3,11-diazadispiro(5.1.5.2)pentadecane","","","","","","","","","","","","","","","","","","","","3,11-Dibenzyl-7,14,15-trithia-3,11-diazadispiro(5.1.5.2)pentadecane","","C1CN(CCC12SC3(CCN(CC3)CC4=CC=CC=C4)SS2)CC5=CC=CC=C5","XIXYUPPMRYETOB-UHFFFAOYSA-N","250320",NA,"PDBC18407","69574","Present"
-"3,11-Dimethoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","3,11-Dimethoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","COC1=CC2=C(C=C1)C3C(CC4=C(O3)C(=CC=C4)OC)CO2","QONYJPVWFVAWAW-UHFFFAOYSA-N","387590",NA,"PDBC18408","681599","Present"
-"3,11-Dioxa-5,6,8,9-tetraazatridecane-6,8-dicarboxylic acid, 7-(1-cyclohexen-1-ylcarbonyl)-4,10-dioxo-, diethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl N-[2-(cyclohexen-1-yl)-1-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-oxoethyl]-N-(ethoxycarbonylamino)carbamate","","CCOC(=O)NN(C(C(=O)C1=CCCCC1)N(C(=O)OCC)NC(=O)OCC)C(=O)OCC","RAAZNIDOKHNNIY-UHFFFAOYSA-N","379770",NA,"PDBC18409","664744","Present"
-"3,11-Dioxa-5,6,8,9-tetraazatridecane-6,8-dicarboxylic acid, 7-(4-morpholinylphenylmethylene)-4,10-dioxo-, diethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl N-(ethoxycarbonylamino)-N-[1-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-morpholin-4-yl-2-phenylethenyl]carbamate","","CCOC(=O)NN(C(=C(C1=CC=CC=C1)N2CCOCC2)N(C(=O)OCC)NC(=O)OCC)C(=O)OCC","OFPTYUHCSCUONK-UHFFFAOYSA-N","378340",NA,"PDBC18410","660406","Present"
-"3,11-Dioxa-5,6,8,9-tetraazatridecane-6,8-dicarboxylic acid, 7-benzoyl-4,10-dioxo-, diethyl ester","","","","","","","","","","","","","","","","","","","","3,11-Dioxa-5,6,8,9-tetraazatridecane-6,8-dicarboxylic acid, 7-benzoyl-4,10-dioxo-, diethyl ester","","CCOC(=O)NN(C(C(=O)C1=CC=CC=C1)N(C(=O)OCC)NC(=O)OCC)C(=O)OCC","ZARWAQZVKVBWJA-UHFFFAOYSA-N","378341",NA,"PDBC18411","660407","Present"
-"3,11-dioxopregna-4,16-dien-21-oic acid","","","","","","","","","","","","","","","","","","","","3,11-dioxopregna-4,16-dien-21-oic acid","","CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CC=C4CC(=O)O)C","QZBWVBCUNAJAMC-UHFFFAOYSA-N","257634",NA,"PDBC18412","86008","Present"
-"3,12,21,28-Tetrahydroxy-2,13-bis(hydroxymethyl)-19,30-dimethyl-36,37-dioxo-16,33,35,38-tetraoxa-7,8,24,25-tetrazaheptacyclo[29.3.2.214,18.05,34.010,15.017,22.027,32]octatriaconta-1(34),2,4,6,8,10,12,14,17,19,21,23,25,27,29,31-hexadecaene-4,11-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","3,12,21,28-Tetrahydroxy-2,13-bis(hydroxymethyl)-19,30-dimethyl-36,37-dioxo-16,33,35,38-tetraoxa-7,8,24,25-tetrazaheptacyclo[29.3.2.214,18.05,34.010,15.017,22.027,32]octatriaconta-1(34),2,4,6,8,10,12,1","","CC1=CC(=C2C=NN=CC3=C(C=C(C4=C3OC5=C(C(=C(C(=C5C=NN=CC6=C(C(=C(C7=C6OC2=C1C(=O)O7)CO)O)C(=O)O)C(=O)O)O)CO)OC4=O)C)O)O","DUEMNKHDXDFLDH-UHFFFAOYSA-N","135429960",NA,"PDBC18413","626807","Present"
-"3,12-Dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5^{9}.2^{6}]hexadecane","","","","","","","","","","","","","","","","","","","","3,12-Dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5^{9}.2^{6}]hexadecane","","C1CN(CCC12SSC3(CCN(CC3)CC4=CC=CC=C4)SS2)CC5=CC=CC=C5","AUQNOKYVIFHLOF-UHFFFAOYSA-N","250319",NA,"PDBC18414","69573","Present"
-"3,13,18-Pentaazapentacosane pentahydrochloride","","","","","","","","","","","","","","","","","","","","3,8,13,18-pentaazapentacosane pentahydrochloride","","CCNCCCCNCCCCNCCCCNCCCCNCC.Cl","FNXLPUOFFCHCQF-UHFFFAOYSA-N","368997",NA,"PDBC18415","640506","Present"
-"3,13,23-Triazahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-2(10),4,6,8,16(24),17,19,21-octaene","","","","","","","","","","","","","","","","","","","","3,13,23-Triazahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-2(10),4,6,8,16(24),17,19,21-octaene","","C1CN2CCC3=C(C2C4=C1C5=CC=CC=C5N4)NC6=CC=CC=C36","CBYUPEUUWZKYGF-UHFFFAOYSA-N","385013",NA,"PDBC18416","675867","Present"
-"3,13-Diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene","","","","","","","","","","","","","","","","","","","","3,13-Diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene","","C1=CC=C2C(=C1)C=C3N2C=CC4=C3NC5=CC=CC=C45","UTUZVAKIUKPDGD-UHFFFAOYSA-N","378605",NA,"PDBC18417","661245","Present"
-"3,13-Diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4,6,8,14,16,18-heptaene","","","","","","","","","","","","","","","","","","","","3,13-Diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4,6,8,14,16,18-heptaene","","C1CN2C(CC3=CC=CC=C32)C4=C1C5=CC=CC=C5N4","JXLJUGQFVXSCIO-UHFFFAOYSA-N","378609",NA,"PDBC18418","661249","Present"
-"3,13-Dichloro-5,11-diphenyl-17H,19H-quino[2,1-b]quino[1',2':1,2]pyrimido[5,4-g]quinazoline-17,19-dione","","","","","","","","","","","","","","","","","","","","9,25-Dichloro-12,22-diphenyl-5,15,19,29-tetrazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1(18),2,6(11),7,9,12,14,16,19,21,23(28),24,26-tridecaene-4,30-dione","","C1=CC=C(C=C1)C2=CC3=NC4=CC5=C(C=C4C(=O)N3C6=C2C=C(C=C6)Cl)C(=O)N7C8=C(C=C(C=C8)Cl)C(=CC7=N5)C9=CC=CC=C9","PGJVXDXLEUSDDQ-UHFFFAOYSA-N","389837",NA,"PDBC18419","686469","Present"
-"3,13-Dihydroxy-5-(1-phenyltetrazol-5-yl)oxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carbaldehyde","","","","","","","","","","","","","","","","","","","","3,13-Dihydroxy-5-(1-phenyltetrazol-5-yl)oxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carbaldehyde","","C1CC2C3CC4=C(C2(CCN3C=O)CC1O)C(=CC(=C4)OC5=NN=NN5C6=CC=CC=C6)O","FTZMSPHFNOLQKD-UHFFFAOYSA-N","398574",NA,"PDBC18420","708544","Present"
-"3,13-Dimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine","","","","","","","","","","","","","","","","","","","","3,13-Dimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine","","COC1=CC2=C(C=C1)C3C4=C(CCCN3CC2)C=CC(=C4)OC","VECFKPDPKZLUIV-UHFFFAOYSA-N","390001",NA,"PDBC18421","686924","Present"
-"3,14,19-Tripropionylandrographolide","","","","","","","","","","","","","","","","","","","","3,14,19-tripropionylandrographolide","","CCC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)CC)C)CC=C3C(COC3=O)OC(=O)CC)C","JBWIJDKKWLFZGD-YBFXNURJSA-N","60147888",NA,"PDBC18422","752811","Present"
-"3,14,25-Trioxa-11,17,31-triazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,10,17,19,21,23,27,29-undecaene","","","","","","","","","","","","","","","","","","","","3,14,25-Trioxa-11,17,31-triazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,10,17,19,21,23,27,29-undecaene","","C1COCCN=CC2=CC=CC=C2OCC3=CC=CC(=N3)COC4=CC=CC=C4C=N1","DSHVOUCGIOLILK-UHFFFAOYSA-N","403700",NA,"PDBC18423","718891","Present"
-"3,14-Dimethyl-3,14-diazahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-2(10),4,6,8,13(21),15,17,19-octaene","","","","","","","","","","","","","","","","","","","","3,14-Dimethyl-3,14-diazahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-2(10),4,6,8,13(21),15,17,19-octaene","","CN1C2=CC=CC=C2C3=C1C4CC5=C(C4C3)N(C6=CC=CC=C56)C","HZQZIMXMZLPAHS-UHFFFAOYSA-N","376256",NA,"PDBC18424","656964","Present"
-"3,16-Bis(acetyloxy)-14-hydroxybufa-20,22-dienolide","","","","","","","","","","","","","","","","","","","","Bufotalin 3-acetate","","CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CC(C4C5=COC(=O)C=C5)OC(=O)C)O)C)C","NHHVQEFHQTULER-UHFFFAOYSA-N","282304",NA,"PDBC18425","135689","Present"
-"3,18-Diazaoctacyclo[18.11.1.02,19.04,17.05,14.07,12.024,32.026,31]dotriaconta-1(32),2,4(17),5(14),7,9,11,15,18,20,22,24,26,28,30-pentadecaene-6,13-dione","","","","","","","","","","","","","","","","","","","","3,18-Diazaoctacyclo[18.11.1.02,19.04,17.05,14.07,12.024,32.026,31]dotriaconta-1(32),2,4(17),5(14),7,9,11,15,18,20,22,24,26,28,30-pentadecaene-6,13-dione","","C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=NC6=C(C=CC7=C6C(=O)C8=CC=CC=C8C7=O)N=C45","OFLTUWFBLHCGDV-UHFFFAOYSA-N","395929",NA,"PDBC18426","701024","Present"
-"3,18-Dolabelladiene","","","","","","","","","","","","","","","","","","","","3,4-epoxy-14-oxo-7,18-dolabelladiene","","CC1=CCCC2(C(O2)CC3(C(CC1)C(CC3=O)C(=C)C)C)C","GUSAEAVUMKCIQK-LQRBVDFWSA-N","54608901",NA,"PDBC18427","669388","Present"
-"3,19-(4-Acetamido)benzylidineandrographolide","","","","","","","","","","","","","","","","","","","","3,19-(4-Acetamido)benzylidineandrographolide","","CC(=O)NC1=CC=C(C=C1)C2OCC3(C4CCC(=C)C(C4(CCC3O2)C)CC=C5C(COC5=O)O)C","JRUYXDLLFDTYPR-UFFVCSGVSA-N","54612901",NA,"PDBC18428","747452","Present"
-"3,19-Benzylidine-14-deoxy-11,12-didehydroandrographolide","","","","","","","","","","","","","","","","","","","","3,19-Benzylidine-14-deoxy-11,12-didehydroandrographolide","","CC12CCC3C(C1CCC(=C)C2C=CC4=CCOC4=O)(COC(O3)C5=CC=CC=C5)C","HEEUHXCCISZILV-ZHACJKMWSA-N","54612900",NA,"PDBC18429","747451","Present"
-"3,2':3',3''-Terthiophene","","","","","","","","","","","","","","","","","","","","Q27121894","","C1=CSC=C1C2=C(SC=C2)C3=CSC=C3","NVKLSOLRWOMZLC-UHFFFAOYSA-N","395539",NA,"PDBC18430","700230","Present"
-"3,2':4',3''-Terthiophene","","","","","","","","","","","","","","","","","","","","Q27121896","","C1=CSC=C1C2=CC(=CS2)C3=CSC=C3","FMXXRLKHSAFAQY-UHFFFAOYSA-N","395538",NA,"PDBC18431","700229","Present"
-"3,2':5',3''-Terthiophene","","","","","","","","","","","","","","","","","","","","AI-942/13331618","","C1=CSC=C1C2=CC=C(S2)C3=CSC=C3","OQKJYJOKTGKIRJ-UHFFFAOYSA-N","157751",NA,"PDBC18432","700223","Present"
-"3,2-Phenylenebis(methyleneoxy)] bisbenzonitrile","","","","","","","","","","","","","","","","","","","","3,3'-[1,2-phenylenebis(methyleneoxy)] bisbenzonitrile","","C1=CC=C(C(=C1)COC2=CC=CC(=C2)C#N)COC3=CC=CC(=C3)C#N","YLWZKWVGHGOWAG-UHFFFAOYSA-N","24203366",NA,"PDBC18433","727668","Present"
-"3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate","","","","","","","","","","","","","","","","","","","","170D343","","CC12CCC3C(C1CCC2C(=O)COS(=O)(=O)C4=CC=C(C=C4)Br)CCC5=CC(=O)CCC35C","ZQNARVKYKGBJES-YNHSGCSHSA-N","259210",NA,"PDBC18434","88915","Present"
-"3,21-Dien-3beta-ol","","","","","","","","","","","","","","","","","","","","3,4-seco-D:B-friedobacchara-4,21-dien-3.beta.-ol","","CC(=CCCC1(CCC2(C3CCC(=C(C)C)C(C3(CCC2(C1)C)C)CCCO)C)C)C","GEDCRNDZBLEQJG-GLEPPYJMSA-N","397877",NA,"PDBC18435","706729","Present"
-"3,21-Dien-3beta-ol acetate","","","","","","","","","","","","","","","","","","","","3,4-seco-D:B-friedobacchara-4,21-dien-3.beta.-ol acetate","","CC(=CCCC1(CCC2(C3CCC(=C(C)C)C(C3(CCC2(C1)C)C)CCCOC(=O)C)C)C)C","YOHVGANXDZNQSU-MSOWXBGASA-N","397878",NA,"PDBC18436","706730","Present"
-"3,24-Dimethyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,16,18,20,22-nonaene-13,15-dione","","","","","","","","","","","","","","","","","","","","13,14-Dimethyl-13,14-dihydroindolo[2,3-a]pyrimido[4,5-c]...","","CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)NC(=O)NC4=O","HIVBKFUFSGTDOB-UHFFFAOYSA-N","155812229",NA,"PDBC18437","781339","Present"
-"3,24-Dimethyl-3,13,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,16,18,20,22-nonaene-12,15-dione","","","","","","","","","","","","","","","","","","","","3,24-Dimethyl-3,13,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,16,18,20,22-nonaene-12,15-dione","","CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)NNC4=O","UXQKFZQLUHACFP-UHFFFAOYSA-N","392069",NA,"PDBC18438","691881","Present"
-"3,28-Dioxa-11,14,17,20,34-pentazatetracyclo[28.3.1.04,9.022,27]tetratriaconta-1(34),4,6,8,10,20,22,24,26,30,32-undecaene","","","","","","","","","","","","","","","","","","","","3,28-Dioxa-11,14,17,20,34-pentazatetracyclo[28.3.1.04,9.022,27]tetratriaconta-1(34),4,6,8,10,20,22,24,26,30,32-undecaene","","C1CNCCN=CC2=CC=CC=C2OCC3=CC=CC(=N3)COC4=CC=CC=C4C=NCCN1","RLSBXSOHZBSBCX-UHFFFAOYSA-N","393565",NA,"PDBC18439","695635","Present"
-"3,3''-(1,4-Phenylene)bis(4'-hydroxyacrylophenone)","","","","","","","","","","","","","","","","","","","","(E)-1-(4-Hydroxyphenyl)-3-[4-[(E)-3-(4-hydroxyphenyl)-3-oxo-prop-1-enyl]phenyl]prop-2-en-1-one","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)O)C=CC(=O)C3=CC=C(C=C3)O","BHUYEFNOZGAZPA-IAGONARPSA-N","5831509",NA,"PDBC18440","681133","Present"
-"3,3',4',5,6,7,8-Heptamethoxyflavone","","","","","","","","","","","","","","","","","","","","3-Methoxynobiletin","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC","SSXJHQZOHUYEGD-UHFFFAOYSA-N","150893",NA,"PDBC18441","618928","Present"
-"3,3',4,4',5-Pentamethoxybenzophenone","","","","","","","","","","","","","","","","","","","","benzophenone, 3,3',4,4',5-pentamethoxy- (8ci)","","COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC","LEGVQFQAMCUMQW-UHFFFAOYSA-N","255605",NA,"PDBC18442","81274","Present"
-"3,3',4,4',5-Pentamethoxystilbene","","","","","","","","","","","","","","","","","","","","5-[2-(3,4-Dimethoxyphenyl)Ethenyl]-1,2,3-Trimethoxy Benzene","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC","KMCRDRIVRPRGHU-VOTSOKGWSA-N","5388059",NA,"PDBC18443","631355","Present"
-"3,3',4,5-Tetramethoxy-trans-stilbene","","","","","","","","","","","","","","","","","","","","(E) 3,3',4,5-Tetramethoxystilbene","","COC1=CC=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","HDVYOENGFYGXCE-CMDGGOBGSA-N","5388772",NA,"PDBC18444","638490","Present"
-"3,3',5'(10'),6'-Tetraene-1 7'b-yl)cinnamide","","","","","","","","","","","","","","","","","","","","3,4-Dihydroxy-N-(3'-methoxyestra-1',3',5'(10'),6'-tetrae...","","CC12CCC3C(C1CCC2NC(=O)C=CC4=CC(=C(C=C4)O)O)C=CC5=C3C=CC(=C5)OC","UFYLEPGRBXFLEV-FEEXEYOXSA-N","24205536",NA,"PDBC18445","736118","Present"
-"3,3',5'(10')-3'-Ol-17b-yl) cinnamide","","","","","","","","","","","","","","","","","","","","3,4-Dihydroxy-N-(3'-hydroxyestra-1',3',5'(10')-3'-ol-17b...","","CC12CCC3C(C1CCC2NC(=O)C=CC4=CC(=C(C=C4)O)O)CCC5=C3C=CC(=C5)O","SNOHOJQXANXMFK-YAOYBVILSA-N","24205268",NA,"PDBC18446","734874","Present"
-"3,3',5'(10')-Trien-3'-o l-17'b-yl)phenylacetamide","","","","","","","","","","","","","","","","","","","","3,4-Dihydroxy-N-(3'-O-methyl)-estra-1',3',5'(10')-trien-...","","CC12CCC3C(C1CCC2NC(=O)CC4=CC(=C(C=C4)O)O)CCC5=C3C=CC(=C5)OC","GLQVZGZOTLZSFW-AHKDFGCBSA-N","24205321",NA,"PDBC18447","735038","Present"
-"3,3'-((1E,4E)-3-Oxopenta-1,4-diene-1,5-diyl)diquinolin-2(1H)-one","","","","","","","","","","","","","","","","","","","","3,3'-((1E,4E)-3-Oxopenta-1,4-diene-1,5-diyl)diquinolin-2...","","C1=CC=C2C(=C1)C=C(C(=O)N2)C=CC(=O)C=CC3=CC4=CC=CC=C4NC3=O","YLYMNHSJPWVJGC-WGDLNXRISA-N","60147682",NA,"PDBC18448","752193","Present"
-"3,3'-(4-Methoxybenzylidene)bis(5-bromo-1H-indole)","","","","","","","","","","","","","","","","","","","","5-Bromo-3-[(5-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole","","COC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br","YIXZXOAVQZOEAS-UHFFFAOYSA-N","3745174",NA,"PDBC18449","679835","Present"
-"3,3'-(4-Nitrobenzylidene)di(1H-indole)","","","","","","","","","","","","","","","","","","","","STK521919","","C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54","OESZGFYDUDJFLN-UHFFFAOYSA-N","345521",NA,"PDBC18450","403186","Present"
-"3,3'-(Methanediyldicyclohexane-4,1-diyl)bis[1-(2-chloroethyl)-1-nitrosourea]","","","","","","","","","","","","","","","","","","","","Urea, 1,1'-(methylenedi-4,1-cyclohexylene)bis[3-(2-chlor...","","C1CC(CCC1CC2CCC(CC2)NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O","CHRJZHUVRKHISQ-UHFFFAOYSA-N","285728",NA,"PDBC18451","143147","Present"
-"3,3'-Bi-1H-indole, 1,1'-dihydroxy-2,2'-diphenyl-","","","","","","","","","","","","","","","","","","","","1-Hydroxy-3-(1-hydroxy-2-phenyl-indol-3-yl)-2-phenyl-indole","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2O)C4=C(N(C5=CC=CC=C54)O)C6=CC=CC=C6","FEDWHEJCPSWIEH-UHFFFAOYSA-N","375837",NA,"PDBC18452","656085","Present"
-"3,3'-Bi[1-(methylthio)-6,7-dihydro-5H-2-pyrindine]","","","","","","","","","","","","","","","","","","","","1-Methylsulfanyl-3-(1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine","","CSC1=C2CCCC2=CC(=N1)C3=NC(=C4CCCC4=C3)SC","ZPFIBNFIUVWPGD-UHFFFAOYSA-N","397514",NA,"PDBC18453","705812","Present"
-"3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-","","","","","","","","","","","","","","","","","","","","3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-","","CS(=O)(=O)C1=C2CCCCC2=CC(=N1)C3=NC(=C4CCCCC4=C3)S(=O)(=O)C","CNKBELNNPXLYDZ-UHFFFAOYSA-N","397515",NA,"PDBC18454","705813","Present"
-"3,3'-Diethyl-9-methylthiacarbocyanine iodide","","","","","","","","","","","","","","","","","","","","3,3'-diethyl-9-methylthiacarbocyanine iodide","","CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CC)C.[I-]","SAEMBGFHGROQJZ-UHFFFAOYSA-M","6364517",NA,"PDBC18455","96932","Present"
-"3,3'-Diindolylmethane","","","","","","","","","","","","","","","","","","","","diindolylmethane","","C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43","VFTRKSBEFQDZKX-UHFFFAOYSA-N","3071",NA,"PDBC18456","708486","Present"
-"3,3'-Dimethoxy-4,4'-dihydroxychalcone","","","","","","","","","","","","","","","","","","","","3,3'-Dimethoxy-4,4'-dihydroxychalcone","","COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)O)OC)O","ZMQUJBYFGUNWFO-ZZXKWVIFSA-N","5468261",NA,"PDBC18457","666764","Present"
-"3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl","","","","","","","","","","","","","","","","","","","","3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl","","CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","YREWUMZAYZMEAP-UHFFFAOYSA-N","253522",NA,"PDBC18458","76523","Present"
-"3,3'-Disulfanediyldibenzoic acid","","","","","","","","","","","","","","","","","","","","VZ34844","","C1=CC(=CC(=C1)SSC2=CC=CC(=C2)C(=O)O)C(=O)O","GFUOAUHUTVPUIJ-UHFFFAOYSA-N","270875",NA,"PDBC18459","113997","Present"
-"3,3'-Ditert-butyl-5,5'-dimethyl[1,1'-biphenyl]-4,4'-diol","","","","","","","","","","","","","","","","","","","","NSC135463///NSC60666","","CC1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C(=C2)C)O)C(C)(C)C","UFFRXKCBFTZHIG-UHFFFAOYSA-N","246977",NA,"PDBC18460","135463///60666","Present"
-"3,3'-Ethylenebis[6-[(4-chlorophenoxy)methyl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole]","","","","","","","","","","","","","","","","","","","","6-[(4-Chlorophenoxy)methyl]-3-[2-[6-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC(=CC=C1OCC2=NN3C(=NN=C3S2)CCC4=NN=C5N4N=C(S5)COC6=CC=C(C=C6)Cl)Cl","KJEQPDXCVHAKAK-UHFFFAOYSA-N","400782",NA,"PDBC18461","713288","Present"
-"3,3'-Methylenebis(4,7-dihydroxy-2H-1-benzopyran-2-one)","","","","","","","","","","","","","","","","","","","","3-(4,7-Dihydroxy-2-oxo-2H-3-chromenylmethyl)-4,7-dihydroxy-2H-2-chromenone","","C1=CC2=C(C=C1O)OC(=O)C(=C2O)CC3=C(C4=C(C=C(C=C4)O)OC3=O)O","ZCRYILRCCBOILO-UHFFFAOYSA-N","54680448",NA,"PDBC18462","682612","Present"
-"3,3'-Propylidenebis(5-bromo-1H-indole)","","","","","","","","","","","","","","","","","","","","5-Bromo-3-[1-(5-bromo-1H-indol-3-yl)propyl]-1H-indole","","CCC(C1=CNC2=C1C=C(C=C2)Br)C3=CNC4=C3C=C(C=C4)Br","FZWXDAPIBWPJOJ-UHFFFAOYSA-N","401206",NA,"PDBC18463","714410","Present"
-"3,3'-Spirobi-2,2'-azadimethylene naphthopyran","","","","","","","","","","","","","","","","","","","","3,3'-Spirobi-2,2'-azadimethylene naphthopyran","","C1C2=CC3=C(C4=CC=CC=C4C=C3)OC25C(=CC6=C(O5)C7=CC=CC=C7C=C6)CN1","JAQGTFGROJIVDW-UHFFFAOYSA-N","155811357",NA,"PDBC18464","756047","Present"
-"3,3'-[(1,3-Phenylene)bis(oxymethylene)]bis(4-amino-4H-1,2,4-triazole-5-thiol)","","","","","","","","","","","","","","","","","","","","4-Amino-3-[[3-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]methyl]-1H-1,2,4-triazole-5-thione","","C1=CC(=CC(=C1)OCC2=NNC(=S)N2N)OCC3=NNC(=S)N3N","WGQZBCJAMJKUBV-UHFFFAOYSA-N","5472204",NA,"PDBC18465","716900","Present"
-"3,3'-[(4-Methoxyphenyl)methylene]bis(4-hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one)","","","","","","","","","","","","","","","","","","","","3,3'-[(4-Methoxyphenyl)methylene]bis(4-hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one)","","CC1CC(=C(C(=O)O1)C(C2=CC=C(C=C2)OC)C3=C(CC(OC3=O)C)O)O","XKDKYJWYKNBBTJ-UHFFFAOYSA-N","54693287",NA,"PDBC18466","648380","Present"
-"3,3'-m-Xylenebis[4,7-dihydroxycoumarin]","","","","","","","","","","","","","","","","","","","","3,3'-m-Xylenebis[4,7-dihydroxycoumarin]","","C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=CC(=CC=C3)CC4=C(C5=CC=CC=C5OC4=O)O)O","CZVUOUUGJVTHGL-UHFFFAOYSA-N","54706563",NA,"PDBC18467","686379","Present"
-"3,3'-o-Xylenebis[4,7-dihydroxycoumarin]","","","","","","","","","","","","","","","","","","","","3,3'-o-Xylenebis[4,7-dihydroxycoumarin]","","C1=CC=C(C(=C1)CC2=C(C3=CC=CC=C3OC2=O)O)CC4=C(C5=CC=CC=C5OC4=O)O","JQQVNNBKEYQHTK-UHFFFAOYSA-N","54714084",NA,"PDBC18468","686378","Present"
-"3,3'-p-Xylenebis[4,7-dihydroxycoumarin]","","","","","","","","","","","","","","","","","","","","3,3'-p-Xylenebis[4,7-dihydroxycoumarin]","","C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=CC=C(C=C3)CC4=C(C5=CC=CC=C5OC4=O)O)O","XYMRWHUHMUWYFS-UHFFFAOYSA-N","54680451",NA,"PDBC18469","682615","Present"
-"3,3':4',3''-Terthiophene","","","","","","","","","","","","","","","","","","","","Y7O1CPR2TH","","C1=CSC=C1C2=CSC=C2C3=CSC=C3","GGJALWBSCQLFFP-UHFFFAOYSA-N","184440",NA,"PDBC18470","700232","Present"
-"3,3,12,12-Tetrakis(3-hydroxypropyl)-1,2-cyclododecanedione","","","","","","","","","","","","","","","","","","","","3,3,12,12-Tetrakis(3-hydroxypropyl)-1,2-cyclododecanedione","","C1CCCCC(C(=O)C(=O)C(CCC1)(CCCO)CCCO)(CCCO)CCCO","XMCUDPYSSHXCGU-UHFFFAOYSA-N","380909",NA,"PDBC18471","666692","Present"
-"3,3,17,17-Tetramethyl-2,4,16,18-tetraoxa-8,12,21,25-tetrathiadispiro[5.7.5^{14}.7^{6}]hexacosane","","","","","","","","","","","","","","","","","","","","3,3,17,17-Tetramethyl-2,4,16,18-tetraoxa-8,12,21,25-tetrathiadispiro[5.7.5^{14}.7^{6}]hexacosane","","CC1(OCC2(CO1)CSCCCSCC3(COC(OC3)(C)C)CSCCCSC2)C","PUHHKINTWKEWSQ-UHFFFAOYSA-N","373828",NA,"PDBC18472","650791","Present"
-"3,3,3-Trichloro-1-(2,4-dihydroxy-6-methoxyphenyl)-1-propanone","","","","","","","","","","","","","","","","","","","","3,3,3-Trichloro-1-(2,4-dihydroxy-6-methoxyphenyl)-1-propanone","","COC1=CC(=CC(=C1C(=O)CC(Cl)(Cl)Cl)O)O","FNHCZCLXYAGVCP-UHFFFAOYSA-N","375637",NA,"PDBC18473","655459","Present"
-"3,3,3-Trichloro-2-hydroxy-N'-phenyl-1-propanesulfonohydrazide","","","","","","","","","","","","","","","","","","","","3,3,3-Trichloro-2-hydroxy-N'-phenyl-1-propanesulfonohydrazide","","C1=CC=C(C=C1)NNS(=O)(=O)CC(C(Cl)(Cl)Cl)O","NIXZPNVWSRNHMX-UHFFFAOYSA-N","330417",NA,"PDBC18474","318824","Present"
-"3,3,3-Triethoxyprop-1-ene","","","","","","","","","","","","","","","","","","","","3,3,3-Triethoxyprop-1-ene","","CCOC(C=C)(OCC)OCC","QWGFTGIQYCNGGH-UHFFFAOYSA-N","371778",NA,"PDBC18475","646222","Present"
-"3,3,3-Trifluoro-2,2-dihydroxy-N-(((4-methylphenyl)sulfonyl)methyl)propanamide","","","","","","","","","","","","","","","","","","","","3,3,3-Trifluoro-2,2-dihydroxy-N-(((4-methylphenyl)sulfonyl)methyl)propanamide","","CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C(C(F)(F)F)(O)O","WFGUQMPUQUJSSW-UHFFFAOYSA-N","388280",NA,"PDBC18476","682921","Present"
-"3,3,3-Trifluoro-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-(4-(2-oxobutoxy)anilino)-1-(trifluoromethyl)ethyl)propanamide","","","","","","","","","","","","","","","","","","","","3,3,3-Trifluoro-N-[1,1,1,3,3,3-hexafluoro-2-[4-(2-oxobutoxy)anilino]propan-2-yl]-2-(trifluoromethyl)propanamide","","CCC(=O)COC1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","ZSMHXNJSSAZHLR-UHFFFAOYSA-N","389163",NA,"PDBC18477","684847","Present"
-"3,3,3-Trifluoro-2-(trifluoromethyl)-N-(3-(3,3,3-trifluoro-2-(trifluoromethyl)propanoyl)-1,3-thiazolidin-2-ylidene)propanamide","","","","","","","","","","","","","","","","","","","","3,3,3-Trifluoro-2-(trifluoromethyl)-N-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-thiazolidin-2-ylidene]propanamide","","C1CSC(=NC(=O)C(C(F)(F)F)C(F)(F)F)N1C(=O)C(C(F)(F)F)C(F)(F)F","MMMSJJDOUWFARY-UHFFFAOYSA-N","389170",NA,"PDBC18478","684854","Present"
-"3,3,3-Trifluoro-2-(trifluoromethyl)-N-[2,2,2-trifluoro-1-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}anilino)-1-(trifluoromethyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3,3,3-Trifluoro-N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]-2-(trifluoromethyl)propanamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","CNDXTSFATZIFGG-UHFFFAOYSA-N","383671",NA,"PDBC18479","672089","Present"
-"3,3,3-Trifluoro-N-(2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl)-2-(trifluoromethyl)propanamide","","","","","","","","","","","","","","","","","","","","Propanamide, 3,3,3-trifluoro-2-(trifluoromethyl)- N-[2-[...","","C1=CC(=CC=C1NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F)F","GQRUPIFZDHHYIQ-UHFFFAOYSA-N","389154",NA,"PDBC18480","684838","Present"
-"3,3,4,11-Tetramethyl-8-prop-1-en-2-yl-1,5-dioxaspiro[5.5]undec-10-ene","","","","","","","","","","","","","","","","","","","","2,3,3,7-Tetramethyl-10-(1-methylethenyl)-1,5-dioxaspiro[5.5]undec-7-ene","","CC1C(COC2(O1)CC(CC=C2C)C(=C)C)(C)C","UBGYRURWGVJGPR-UHFFFAOYSA-N","403153",NA,"PDBC18481","717802","Present"
-"3,3,4,4,5,5-Hexafluoro-6-(1H-pyrrol-2-yl)tetrahydropyran-2-ol","","","","","","","","","","","","","","","","","","","","3,3,4,4,5,5-Hexafluoro-6-(1H-pyrrol-2-yl)tetrahydropyran-2-ol","","C1=CNC(=C1)C2C(C(C(C(O2)O)(F)F)(F)F)(F)F","MWHKDGHGGMZVKU-UHFFFAOYSA-N","496626",NA,"PDBC18482","695262","Present"
-"3,3,4,4,5,5-Hexafluoro-6-(2-furyl)tetrahydropyran-2-ol","","","","","","","","","","","","","","","","","","","","3,3,4,4,5,5-Hexafluoro-6-(2-furyl)tetrahydropyran-2-ol","","C1=COC(=C1)C2C(C(C(C(O2)O)(F)F)(F)F)(F)F","XICDCMDCHMIBAQ-UHFFFAOYSA-N","496625",NA,"PDBC18483","695261","Present"
-"3,3,4,4-Tetramethyl-1-oxido-diazet-1-ium","","","","","","","","","","","","","","","","","","","","3,3,4,4-Tetramethyl-1-oxido-diazet-1-ium","","CC1(C([N+](=N1)[O-])(C)C)C","UDCUFMUYRZOCTR-UHFFFAOYSA-N","391930",NA,"PDBC18484","691610","Present"
-"3,3,4-Trimethyl-1-(1-methyl-1H-indol-2-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole","","","","","","","","","","","","","","","","","","","","3,3,4-Trimethyl-1-(1-methyl-1H-indol-2-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole","","CC1(CC(C2=C1N(C3=CC=CC=C32)C)C4=CC5=CC=CC=C5N4C)C","XBXVJTRNSNPOAB-UHFFFAOYSA-N","372679",NA,"PDBC18485","648212","Present"
-"3,3,5(10),9(11)-Tetraen-17-one","","","","","","","","","","","","","","","","","","","","3,4-Diacetoxyestra-1,3,5(10),9(11)-tetraen-17-one","","CC(=O)OC1=C(C2=C(C=C1)C3=CCC4(C(C3CC2)CCC4=O)C)OC(=O)C","XNYCWDLNVLSGAW-QRFVXNFXSA-N","404608",NA,"PDBC18486","721019","Present"
-"3,3,5(10)-Estratriene-16,17alpha-dione","","","","","","","","","","","","","","","","","","","","3,17-dibutyl-17-aza-D-homo-1,3,5(10)-estratriene-16,17.a...","","CCCCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OCCCC","NCJPJZZOHNBOEN-ONJIFJTESA-N","383425",NA,"PDBC18487","671764","Present"
-"3,3,5(10)-Trien-ol-17b-yl)c innamide","","","","","","","","","","","","","","","","","","","","3,4-Dihydroxy-N(3-O-methyl-estra-1,3,5(10)-trien-ol-17b-...","","CC12CCC3C(C1CCC2NC(=O)C=CC4=CC(=C(C=C4)O)O)CCC5=C3C=CC(=C5)OC","JHDZSYLXRDVGOK-RAUFMVRRSA-N","11546817",NA,"PDBC18488","734307","Present"
-"3,3,5(10)-Triene-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","3,17.beta.-dibenzyloxyestra-1,3,5(10)-triene-2-carbaldehyde","","CC12CCC3C(C1CCC2OCC4=CC=CC=C4)CCC5=CC(=C(C=C35)C=O)OCC6=CC=CC=C6","OGJQIOIIMVVCNI-XCXNQSAYSA-N","383046",NA,"PDBC18489","671044","Present"
-"3,3,5,8a-Tetramethyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione","","","","","","","","","","","","","","","","","","","","3,3,5,8a-Tetramethyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione","","CC1=C2CC(CC(=O)C2(CCC1=O)C)(C)C","INSMWTOXPYWLCT-UHFFFAOYSA-N","380805",NA,"PDBC18490","666524","Present"
-"3,3,5-Trichloro-1-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)pyridine-2,6-dione","","","","","","","","","","","","","","","","","","","","3,3,5-Trichloro-1-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)pyridine-2,6-dione","","COC1=CC=C(C=C1)C2=C(C(=O)N(C(=O)C2(Cl)Cl)C3=C(C=C(C=C3)OC)OC)Cl","HDXYUNYCAUPKNJ-UHFFFAOYSA-N","337974",NA,"PDBC18491","358304","Present"
-"3,3,6,6,10-Pentamethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","","","","","","","","","","","","","","","","","","","3,3,6,6,10-Pentamethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","CC1(CC2=C(CC3=C(N2C)CC(CC3=O)(C)C)C(=O)C1)C","PWIGGFWVVBYUAA-UHFFFAOYSA-N","379949",NA,"PDBC18492","665141","Present"
-"3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione","","","","","","","","","","","","","","","","","","","","TX-016592","","CC1(C(=O)OC(C(=O)O1)(C)C)C","GZYXPXGNODDCBD-UHFFFAOYSA-N","81211",NA,"PDBC18493","669822","Present"
-"3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","","","","","","","","","","","","","","","","","","","3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","CC1=CC=C(C=C1)N2C3=C(CC4=C2CC(CC4=O)(C)C)C(=O)CC(C3)(C)C","ANBOWCQRXCDQPW-UHFFFAOYSA-N","379937",NA,"PDBC18494","665129","Present"
-"3,3,6,6-Tetramethyl-2,7-octanedione","","","","","","","","","","","","","","","","","","","","3,3,6,6-Tetramethyl-2,7-octanedione","","CC(=O)C(C)(C)CCC(C)(C)C(=O)C","HQMGKHLRNOJTKX-UHFFFAOYSA-N","380813",NA,"PDBC18495","666534","Present"
-"3,3,6,6-Tetramethyl-9-[2-phenyl-2-(2,3,4-trihydroxyphenyl)ethyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione","","","","","","","","","","","","","","","","","","","","3,3,6,6-Tetramethyl-9-[2-phenyl-2-(2,3,4-trihydroxyphenyl)ethyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione","","CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)CC(C4=CC=CC=C4)C5=C(C(=C(C=C5)O)O)O)C(=O)C1)C","YLOKEJKADCEGST-UHFFFAOYSA-N","379199",NA,"PDBC18496","663611","Present"
-"3,3,7,7-Tetramethyl-9-(2-nitrophenyl)-4,6,8,9-tetrahydro-2H-xanthene-1,5-dione","","","","","","","","","","","","","","","","","","","","3,3,7,7-Tetramethyl-9-(2-nitrophenyl)-4,6,8,9-tetrahydro-2H-xanthene-1,5-dione","","CC1(CC2=C(C(=O)C1)OC3=C(C2C4=CC=CC=C4[N+](=O)[O-])C(=O)CC(C3)(C)C)C","ZDMMMRPYILRBGC-UHFFFAOYSA-N","379636",NA,"PDBC18497","664344","Present"
-"3,3,7,7-Tetramethylbicyclo[3.3.1]nonane-2,6-dione","","","","","","","","","","","","","","","","","","","","3,3,7,7-Tetramethylbicyclo[3.3.1]nonane-2,6-dione","","CC1(CC2CC(C1=O)CC(C2=O)(C)C)C","TZEDBMOSQPTRPQ-UHFFFAOYSA-N","365122",NA,"PDBC18498","632222","Present"
-"3,3-Bis(2,5-dimethoxycyclohexyl)-2-benzofuran-1-one","","","","","","","","","","","","","","","","","","","","3,3-Bis(2,5-dimethoxycyclohexyl)-2-benzofuran-1-one","","COC1CCC(C(C1)C2(C3=CC=CC=C3C(=O)O2)C4CC(CCC4OC)OC)OC","GRLWJBJNHZKQHW-UHFFFAOYSA-N","358268",NA,"PDBC18499","618211","Present"
-"3,3-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenyl-2-butanone","","","","","","","","","","","","","","","","","","","","3,3-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenyl-2-butanone","","CC1=CC(=NN1C(C)(C(=O)CC2=CC=CC=C2)N3C(=CC(=N3)C)C)C","BLNHZAYMVOREGG-UHFFFAOYSA-N","380842",NA,"PDBC18500","666582","Present"
-"3,3-Bis(3-(trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one","","","","","","","","","","","","","","","","","","","","3,3-Bis(3-(trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one","","C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3(C4=CC(=CC=C4)C(F)(F)F)C5=CC(=CC=C5)C(F)(F)F","IPRQZDVKHKUAHL-UHFFFAOYSA-N","362080",NA,"PDBC18501","625603","Present"
-"3,3-Bis(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3,3-Bis(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2H-indol-2...","","C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC(=C(C=C3)O)F)C4=CC(=C(C=C4)O)F","UDUWVSAYUKWTSI-UHFFFAOYSA-N","26367014",NA,"PDBC18502","782154","Present"
-"3,3-Bis(4-(allyloxy)phenyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3,3-Bis(4-(allyloxy)phenyl)-1,3-dihydro-2H-indol-2-one","","C=CCOC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OCC=C","QFZZUHUTHLFBQN-UHFFFAOYSA-N","377642",NA,"PDBC18503","659221","Present"
-"3,3-Bis(4-(trimethylsilyl)benzyl)pyrrolidine","","","","","","","","","","","","","","","","","","","","3,3-Bis(4-(trimethylsilyl)benzyl)pyrrolidine","","C[Si](C)(C)C1=CC=C(C=C1)CC2(CCNC2)CC3=CC=C(C=C3)[Si](C)(C)C","CSPSAGUSIRHNBD-UHFFFAOYSA-N","365991",NA,"PDBC18504","634157","Present"
-"3,3-Bis(4-chlorobenzyl)dihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","3,3-Bis(4-chlorobenzyl)dihydro-2(3H)-furanone","","C1COC(=O)C1(CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)Cl","HXHNLFJNZMQXCE-UHFFFAOYSA-N","366015",NA,"PDBC18505","634188","Present"
-"3,3-Bis(4-chlorophenyl)-2-benzothiophen-1(3H)-one","","","","","","","","","","","","","","","","","","","","3,3-Bis(4-chlorophenyl)-2-benzothiophen-1(3H)-one","","C1=CC=C2C(=C1)C(=O)SC2(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","VDZCDZUDQDPSNH-UHFFFAOYSA-N","376971",NA,"PDBC18506","658171","Present"
-"3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione","","","","","","","","","","","","","","","","","","","","3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione","","C1=CC=C2C(=C1)C(=S)SC2(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","OTJJSPSKEISBIM-UHFFFAOYSA-N","377855",NA,"PDBC18507","659468","Present"
-"3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone","","","","","","","","","","","","","","","","","","","","Amb2616404","","CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)O)C","DAJCDIIIZOFNEG-UHFFFAOYSA-N","4089957",NA,"PDBC18508","783025","Present"
-"3,3-Bis(4-methoxybenzyl)dihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","3,3-Bis(4-methoxybenzyl)dihydro-2(3H)-furanone","","COC1=CC=C(C=C1)CC2(CCOC2=O)CC3=CC=C(C=C3)OC","VOFYTJRMKVNFRD-UHFFFAOYSA-N","366014",NA,"PDBC18509","634187","Present"
-"3,3-Bis(5-methoxy-1H-indole-3-yl)-5-chloroindoline-2-one","","","","","","","","","","","","","","","","","","","","5-chloro-5'-methoxy-3-(5-methoxy-1H-indol-3-yl)-3,3'-bi(1'H-indol)-2-one","","COC1=CC2=C(C=C1)NC=C2C3(C4=C(C=CC(=C4)Cl)NC3=O)C5=CNC6=C5C=C(C=C6)OC","KEWHQPSNRGTTJC-UHFFFAOYSA-N","122225740",NA,"PDBC18510","756900","Present"
-"3,3-Bis(8-hydroxy-7-methyl-5-quinolyl)isobenzofuran-1-one","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 5,5'-(1,3-dihydro-3-oxo- 1,1-isobenzofuran...","","CC1=CC(=C2C=CC=NC2=C1O)C3(C4=CC=CC=C4C(=O)O3)C5=C6C=CC=NC6=C(C(=C5)C)O","KBNVZXWRVJSFSI-UHFFFAOYSA-N","389858",NA,"PDBC18511","686489","Present"
-"3,3-Bis(chloromethyl)oxetane","","","","","","","","","","","","","","","","","","","","Bcmo","","C1C(CO1)(CCl)CCl","CXURGFRDGROIKG-UHFFFAOYSA-N","6550",NA,"PDBC18512","650608","Present"
-"3,3-Bis(methylthio)-2-phosphonoacrylic acid","","","","","","","","","","","","","","","","","","","","3,3-Bis(methylthio)-2-phosphonoacrylic acid","","CSC(=C(C(=O)O)P(=O)(O)O)SC","AIYQPHFFVMHKNV-UHFFFAOYSA-N","381177",NA,"PDBC18513","667507","Present"
-"3,3-Bis(trifluoromethyl)-1$l^{3},2-benziodoxole-1-carbonitrile","","","","","","","","","","","","","","","","","","","","3,3-Bis(trifluoromethyl)-1$l^{3},2-benziodoxole-1-carbonitrile","","C1=CC=C2C(=C1)C(OI2C#N)(C(F)(F)F)C(F)(F)F","DITWBNYKQGVOIK-UHFFFAOYSA-N","390373",NA,"PDBC18514","687715","Present"
-"3,3-Bis-(4-methoxy-phenyl)-3H-benzo[de]isochromen-1-one","","","","","","","","","","","","","","","","","","","","4,4-Bis(4-methoxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one","","COC1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C(=O)O2)C5=CC=C(C=C5)OC","XPTOZIUZBVUJJM-UHFFFAOYSA-N","403899",NA,"PDBC18515","719488","Present"
-"3,3-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantane","","","","","","","","","","","","","","","","","","","","3,3-bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantane","","C1C2CC3C4C1C5CC(C4)C(C3C5C2)(C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O)C8=CC=C(C=C8)OC9=CC(=C(C=C9)N)O","PRRYJMKXHHNXKX-UHFFFAOYSA-N","399962",NA,"PDBC18516","711114","Present"
-"3,3-Bis[4-(4-aminoiphenoxy)phenyl]diamantane","","","","","","","","","","","","","","","","","","","","3,3-bis[4-(4-aminoiphenoxy)phenyl]diamantane","","C1C2CC3C4C1C5CC(C4)C(C3C5C2)(C6=CC=C(C=C6)OC7=CC=C(C=C7)N)C8=CC=C(C=C8)OC9=CC=C(C=C9)N","AKQGWCMCPFIHOU-UHFFFAOYSA-N","399961",NA,"PDBC18517","711113","Present"
-"3,3-Dibromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3,3-Dibromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)(Br)Br","AAIAQPAOSBKULH-UHFFFAOYSA-N","372721",NA,"PDBC18518","648304","Present"
-"3,3-Dibromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3,3-Dibromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)OC1)(Br)Br","RMHHFOOOSCKAMR-UHFFFAOYSA-N","380417",NA,"PDBC18519","665940","Present"
-"3,3-Dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione","","","","","","","","","","","","","","","","","","","","3,3-Dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione","","CCCC[Sn]1(OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1)CCCC","HPRWXVGSBBPEPP-UHFFFAOYSA-L","16683294",NA,"PDBC18520","109072","Present"
-"3,3-Dichloro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3,3-Dichloro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)(Cl)Cl","OPBXTOPKDJSOAO-UHFFFAOYSA-N","372724",NA,"PDBC18521","648307","Present"
-"3,3-Diethyl 1-methyl 6-amino-6-oxo-1,3,3-hexanetricarboxylate","","","","","","","","","","","","","","","","","","","","3,3-Diethyl 1-methyl 6-amino-6-oxo-1,3,3-hexanetricarboxylate","","CCOC(=O)C(CCC(=O)N)(CCC(=O)OC)C(=O)OCC","WPVIWTLIOOCDKA-UHFFFAOYSA-N","359837",NA,"PDBC18522","621404","Present"
-"3,3-Difluoro-2-(trifluoromethyl)-2-phosphabicyclo[2.2.2]oct-5-ene","","","","","","","","","","","","","","","","","","","","3,3-Difluoro-2-(trifluoromethyl)-2-phosphabicyclo[2.2.2]oct-5-ene","","C1CC2C=CC1C(P2C(F)(F)F)(F)F","HLSBOFLVTDNIAT-UHFFFAOYSA-N","374023",NA,"PDBC18523","651202","Present"
-"3,3-Diiodo-1,2-diphenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","3,3-diiodo-1,2-diphenyl-2-propen-1-one","","C1=CC=C(C=C1)C(=C(I)I)C(=O)C2=CC=CC=C2","NUSWGESYYHHTQX-UHFFFAOYSA-N","381580",NA,"PDBC18524","668371","Present"
-"3,3-Diiodo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3,3-Diiodo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)(I)I","JXIXQNNDQGQZIF-UHFFFAOYSA-N","372725",NA,"PDBC18525","648308","Present"
-"3,3-Diiodo-2-phenyl-2-propenal","","","","","","","","","","","","","","","","","","","","3,3-diiodo-2-phenyl-2-propenal","","C1=CC=C(C=C1)C(=C(I)I)C=O","JLVBAYOFAMFOCP-UHFFFAOYSA-N","381579",NA,"PDBC18526","668370","Present"
-"3,3-Dimethoxy-1-methyl-2-(phenylsulfonyl)-2,3,4,4a,5,6,7,8-octahydroisoquinoline","","","","","","","","","","","","","","","","","","","","3,3-Dimethoxy-1-methyl-2-(phenylsulfonyl)-2,3,4,4a,5,6,7,8-octahydroisoquinoline","","CC1=C2CCCCC2CC(N1S(=O)(=O)C3=CC=CC=C3)(OC)OC","JESBBHBZNOCVQK-UHFFFAOYSA-N","363576",NA,"PDBC18527","628555","Present"
-"3,3-Dimethyl-1,1-bis(4-(1,3-thiazol-4-yl)phenyl)-2-butanone","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-1,1-bis(4-(1,3-thiazol-4-yl)phenyl)-2-butanone","","CC(C)(C)C(=O)C(C1=CC=C(C=C1)C2=CSC=N2)C3=CC=C(C=C3)C4=CSC=N4","AKOWATAHHUCAEN-UHFFFAOYSA-N","366001",NA,"PDBC18528","634174","Present"
-"3,3-Dimethyl-1-butynyl benzoate","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-1-butynyl benzoate","","CC(C)(C)C#COC(=O)C1=CC=CC=C1","PYBKBZHNHYPLAR-UHFFFAOYSA-N","371539",NA,"PDBC18529","645867","Present"
-"3,3-Dimethyl-1-phenyltriazene","","","","","","","","","","","","","","","","","","","","PDMT","","CN(C)N=NC1=CC=CC=C1","LLROQAGEAVDYFP-UHFFFAOYSA-N","23654",NA,"PDBC18530","3094","Present"
-"3,3-Dimethyl-2-methylene-2,3-dihydro-5H-oxazolo[2,3-b]quinazolin-5-one","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-2-methylidene-2,3-dihydro-5H-[1,3]oxazolo[2,3-b]quinazolin-5-one","","CC1(C(=C)OC2=NC3=CC=CC=C3C(=O)N21)C","BXDYAFLJWZIBEQ-UHFFFAOYSA-N","363806",NA,"PDBC18531","629020","Present"
-"3,3-Dimethyl-2-oxo-N-(propan-2-ylideneamino)-2-(2-pyrimidin-2-ylhydrazinyl)-1,4,2lambda5-thiazaphosphol-5-amine","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-2-oxo-N-(propan-2-ylideneamino)-2-(2-pyrimidin-2-ylhydrazinyl)-1,4,2lambda5-thiazaphosphol-5-amine","","CC(=NNC1=NC(P(=O)(S1)NNC2=NC=CC=N2)(C)C)C","FDUWOROLFKWUFN-UHFFFAOYSA-N","353112",NA,"PDBC18532","600270","Present"
-"3,3-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl trifluoromethanesulfonate","","CC1(C2CCC(C2)(C1=O)OS(=O)(=O)C(F)(F)F)C","HXHXUZZTBAWEKZ-UHFFFAOYSA-N","396130",NA,"PDBC18533","701674","Present"
-"3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonitrile","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonitrile","","CC1(C2CCC(C2)(C1=O)C#N)C","HHIRPLGIOGJKJP-UHFFFAOYSA-N","396133",NA,"PDBC18534","701677","Present"
-"3,3-Dimethyl-2H-1,4-benzodioxin-2-ol","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-2H-1,4-benzodioxin-2-ol","","CC1(C(OC2=CC=CC=C2O1)O)C","VTQNUKHKSRBPMD-UHFFFAOYSA-N","386472",NA,"PDBC18535","678498","Present"
-"3,3-Dimethyl-4-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrazole","","","","","","","","","","","","","","","","","","","","3,3-Dimethyl-5-(1-methylethyl)-4-[(4-methylphenyl)sulfonyl]-3h-pyrazole","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=NC2(C)C)C(C)C","NBFWQTZGNXZOBF-UHFFFAOYSA-N","400848",NA,"PDBC18536","713373","Present"
-"3,3-Dimethylbicyclo[2.2.1]heptane-1,2-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC701682","","CC1(C2CCC(C2)(C1N)N)C.Cl","CIJMBTAJAXJCLX-UHFFFAOYSA-N","396142",NA,"PDBC18537","701682","Present"
-"3,3-Dimethylbut-1-ynyl(triphenyl)phosphanium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","NSC645870","","CC(C)(C)C#C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]","ZRFCPBXOECVNKU-UHFFFAOYSA-M","24202376",NA,"PDBC18538","645870","Present"
-"3,3-Dimethylbutanamide","","","","","","","","","","","","","","","","","","","","NSC400229","","CC(C)(C)CC(=O)N","LINZZISWCNKFEM-UHFFFAOYSA-N","219625",NA,"PDBC18539","400229","Present"
-"3,3-Diphenyl-2-benzothiophen-1(3H)-one","","","","","","","","","","","","","","","","","","","","3,3-Diphenyl-2-benzothiophen-1(3H)-one","","C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)S2)C4=CC=CC=C4","RTOLLIIPIHMGAY-UHFFFAOYSA-N","374055",NA,"PDBC18540","651256","Present"
-"3,3-j]-1,2-Benzodioxepin, 10,10'-[(1,2-ethanediyl)bis(oxy)]bis[decahydro-3,6,9-trimethyl-, stereoisomer","","","","","","","","","","","","","","","","","","","","3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 10,10'-[...","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCCOC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C","ROQIHFFCAPNSHV-FIEKKSMYSA-N","54609039",NA,"PDBC18541","698678","Present"
-"3,3a,4,10b-Tetrahydropyrazolo[3',4':3,4]pyrrolo[1,2-a]indole","","","","","","","","","","","","","","","","","","","","Pyrazolo[3',4':3,4]pyrolo[1,2-a]indole, 3,3a,4,10b- tetr...","","C1C2CN3C4=CC=CC=C4C=C3C2N=N1","KRQCYIVMWCDSOT-UHFFFAOYSA-N","367854",NA,"PDBC18542","638020","Present"
-"3,3a,4,6a-Tetramethyl-1-(2-methyl-3-oxobutanoyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3,3a,4,6a-Tetramethyl-1-(2-methyl-3-oxobutanoyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione","","CC(C(=O)C)C(=O)N1C(=O)N(C2(C1(NC(=O)N2C)C)C)C","OUQMTPPQUKTVHA-UHFFFAOYSA-N","382844",NA,"PDBC18543","670674","Present"
-"3,4'',4'''-Tetrasulfonyl copper phthalocyanine, tetra sodium salt","","","","","","","","","","","","","","","","","","","","3,4',4'',4'''-Tetrasulfonyl copper phthalocyanine, tetra...","","C1=CC2=C(C=C1S(=O)(=O)[O-])C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)S(=O)(=O)[O-])C9=C4C=CC(=C9)S(=O)(=O)[O-].[Na+].[Cu+2]","GALUQLOHKZHXAP-UHFFFAOYSA-J","54608826",NA,"PDBC18544","641048","Present"
-"3,4'-Dinitrochalcone","","","","","","","","","","","","","","","","","","","","3,4'-Dinitrochalcone","","C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","LCASUCZQFAYAPF-RUDMXATFSA-N","5387159",NA,"PDBC18545","621368","Present"
-"3,4'-dimethoxyresveratrol","","","","","","","","","","","","","","","","","","","","3,4'-dimethoxyresveratrol","","COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC)O","ULMJJZHWFJYIMM-ONEGZZNKSA-N","5473051",NA,"PDBC18546","723533","Present"
-"3,4,4',5-Tetramethoxy-3'-(tert-butyldimethylsiloxy)stilbene","","","","","","","","","","","","","","","","","","","","3,4,4',5-Tetramethoxy-3'-(tert-butyldimethylsiloxy)stilbene","","CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC","UMDKFDJQYNOPRV-ZHACJKMWSA-N","5386558",NA,"PDBC18547","613777","Present"
-"3,4,4',5-Tetramethoxy-3'-acetoxybenzophenone","","","","","","","","","","","","","","","","","","","","NSC794723","","CC(=O)OC1=C(C=CC(=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC","FKCWULMKUVIBII-UHFFFAOYSA-N","11792852",NA,"PDBC18548","794723","Present"
-"3,4,4',5-Tetramethoxybenzophenone","","","","","","","","","","","","","","","","","","","","3,4,4',5-Tetramethoxybenzophenone","","COC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC","GGZQGMKOFKNKQN-UHFFFAOYSA-N","368149",NA,"PDBC18549","638498","Present"
-"3,4,4-Trichloro-1-(2,3-dichlorophenyl)but-3-en-1-one","","","","","","","","","","","","","","","","","","","","1-(2,3-dichlorophenyl)-3,4,4-trichloro-but-3-en-1-one","","C1=CC(=C(C(=C1)Cl)Cl)C(=O)CC(=C(Cl)Cl)Cl","GRIJZFPENZNIAJ-UHFFFAOYSA-N","405826",NA,"PDBC18550","723513","Present"
-"3,4,4-Trichloro-1-phenylbut-3-en-1-one","","","","","","","","","","","","","","","","","","","","3,4,4-trichloro-1-phenyl-but-3-en-1-one","","C1=CC=C(C=C1)C(=O)CC(=C(Cl)Cl)Cl","QUFMZYOGBXYASP-UHFFFAOYSA-N","405821",NA,"PDBC18551","723508","Present"
-"3,4,4-Trichloro-2-nitro-1,1-diphenylthiobuta-1,3-diene","","","","","","","","","","","","","","","","","","","","Benzene, 1,1'-[(3,4,4-trichloro-2-nitro- 1,3-butadienyli...","","C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","KDLDVVOYKRVOOK-UHFFFAOYSA-N","379911",NA,"PDBC18552","665103","Present"
-"3,4,4-Trichloro-2-nitro-1-N,1-N'-di(quinolin-8-yl)buta-1,3-diene-1,1-diamine","","","","","","","","","","","","","","","","","","","","3,4,4-Trichloro-2-nitro-1-N,1-N'-di(quinolin-8-yl)buta-1,3-diene-1,1-diamine","","C1=CC2=C(C(=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4)N=CC=C2","FSAUGVHBMIULCJ-UHFFFAOYSA-N","394696",NA,"PDBC18553","698364","Present"
-"3,4,4-Trimethyl-1,2-dioxido-diazete-1,2-diium-3-ol","","","","","","","","","","","","","","","","","","","","3,4,4-trimethyl-1,2-dioxido-diazete-1,2-diium-3-ol","","CC1(C([N+](=O)N1[O-])(C)O)C","DUJIYKMIHUKLDN-UHFFFAOYSA-N","391933",NA,"PDBC18554","691613","Present"
-"3,4,4-Triphenylbut-3-en-2-one","","","","","","","","","","","","","","","","","","","","3,4,4-Triphenyl-3-buten-2-one","","CC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3","YOBDJRWFESLANB-UHFFFAOYSA-N","377975",NA,"PDBC18555","659652","Present"
-"3,4,5,11,12,21,22,23-Octahydroxy-13-methoxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione","","","","","","","","","","","","","","","","","","","","3,4,5,11,12,21,22,23-Octahydroxy-13-methoxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione","","COC1C(C(C2C(O1)COC(=O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)O2)O)O)O)O)O)O)O)O","LZYLPRCBSOWKDZ-UHFFFAOYSA-N","383391",NA,"PDBC18556","671562","Present"
-"3,4,5,16,17,18-Hexahydroxy-8,13-dioxo-11-(1,2,3-trihydroxypropyl)-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carbaldehyde","","","","","","","","","","","","","","","","","","","","3,4,5,16,17,18-Hexahydroxy-8,13-dioxo-11-(1,2,3-trihydroxypropyl)-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carbaldehyde","","C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)OC(C(OC2=O)C=O)C(C(CO)O)O)O)O)O","JYJNKJHPALROCD-UHFFFAOYSA-N","385551",NA,"PDBC18557","676819","Present"
-"3,4,5,4'-Tetramethoxystilbene","","","","","","","","","","","","","","","","","","","","5-[2-(4-Methoxyphenyl)Ethenyl]-1,2,3-Trimethoxy Benzene","","COC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","GGFQQRXTLIJXNY-AATRIKPKSA-N","5388065",NA,"PDBC18558","631365","Present"
-"3,4,5,6-Tetrabenzyl-1,2-benzenediol","","","","","","","","","","","","","","","","","","","","3,4,5,6-Tetrabenzyl-1,2-benzenediol","","C1=CC=C(C=C1)CC2=C(C(=C(C(=C2CC3=CC=CC=C3)O)O)CC4=CC=CC=C4)CC5=CC=CC=C5","DYGWEKPMLQKYLH-UHFFFAOYSA-N","379492",NA,"PDBC18559","664153","Present"
-"3,4,5,6-Tetrahydro-1-benzazocin-1(2H)-ylacetonitrile","","","","","","","","","","","","","","","","","","","","3,4,5,6-Tetrahydro-1-benzazocin-1(2H)-ylacetonitrile","","C1CCC2=CC=CC=C2N(CC1)CC#N","PJLQBEXWXUCMLQ-UHFFFAOYSA-N","379570",NA,"PDBC18560","664257","Present"
-"3,4,5,6-Tetrakis(1-ethylbutyl)-1,2-benzenediol","","","","","","","","","","","","","","","","","","","","3,4,5,6-Tetrakis(1-ethylbutyl)-1,2-benzenediol","","CCCC(CC)C1=C(C(=C(C(=C1C(CC)CCC)O)O)C(CC)CCC)C(CC)CCC","MERZOBJQFOCPRA-UHFFFAOYSA-N","379496",NA,"PDBC18561","664157","Present"
-"3,4,5,6-Tetramethoxytetrahydropyran-2-one","","","","","","","","","","","","","","","","","","","","3,4,5,6-Tetramethoxytetrahydropyran-2-one","","COC1C(C(OC(=O)C1OC)OC)OC","FMBCKALBVPWSTF-UHFFFAOYSA-N","392708",NA,"PDBC18562","693425","Present"
-"3,4,5,6-Tetramethyl-2,7,8,9-tetraoxa-1lambda4-telluratetracyclo[3.2.1.11,4.03,6]nonane","","","","","","","","","","","","","","","","","","","","3,4,5,6-Tetramethyl-2,7,8,9-tetraoxa-1lambda4-telluratetracyclo[3.2.1.11,4.03,6]nonane","","CC12C3(C4(C1(O[Te](O2)(O3)O4)C)C)C","APGSMPJOMWFSAX-UHFFFAOYSA-N","358627",NA,"PDBC18563","618635","Present"
-"3,4,5,6-Tetramethylphenanthrene-9,10-dione","","","","","","","","","","","","","","","","","","","","3,4,5,6-Tetramethylphenanthrene-9,10-dione","","CC1=C(C2=C(C=C1)C(=O)C(=O)C3=C2C(=C(C=C3)C)C)C","JTMGCXDRWXHOND-UHFFFAOYSA-N","282415",NA,"PDBC18564","135880","Present"
-"3,4,5,6-Tetranonyl-1,2-benzenediol","","","","","","","","","","","","","","","","","","","","3,4,5,6-Tetranonyl-1,2-benzenediol","","CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)O)O)CCCCCCCCC)CCCCCCCCC","VZDRYPMGKLJOMG-UHFFFAOYSA-N","379494",NA,"PDBC18565","664155","Present"
-"3,4,5-Pyridinetricarbonitrile, 2-amino-6-methoxy-","","","","","","","","","","","","","","","","","","","","LS-132108","","COC1=C(C(=C(C(=N1)N)C#N)C#N)C#N","FNZQARVPPQEHAV-UHFFFAOYSA-N","282481",NA,"PDBC18566","135964","Present"
-"3,4,5-Tri(hydroxyimino)-2,2,6,6-tetramethylazaperhydroine","","","","","","","","","","","","","","","","","","","","NSC663941","","CC1(C(=NO)C(=NO)C(=NO)C(N1)(C)C)C","IJZNOLWKANIROC-IODUZNRKSA-N","135509157",NA,"PDBC18567","663941","Present"
-"3,4,5-Trihydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","3,4,5-Trihydroxy-N-(4-phenyl-thiazol-2-yl)-benzamide","","C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)O)O)O","FVHYSLXNCCIYTD-UHFFFAOYSA-N","155809712",NA,"PDBC18568","773204","Present"
-"3,4,5-Trihydroxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","3,4,5-Trihydroxy-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-b...","","COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)O)O)O","ZPJYKFOXEGISOM-UHFFFAOYSA-N","155809713",NA,"PDBC18569","773205","Present"
-"3,4,5-Trimethoxy-.alpha.-benzoyl cinnamonitrile","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxy-.alpha.-benzoyl cinnamonitrile","","COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)C2=CC=CC=C2","UOUFHXICGIKHAK-OQLLNIDSSA-N","5345651",NA,"PDBC18570","643181","Present"
-"3,4,5-Trimethoxy-2-(6-(3-methoxy-3-oxo-1-propenyl)-1,3-benzodioxol-5-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxy-2-(6-(3-methoxy-3-oxo-1-propenyl)-1,3-benzodioxol-5-yl)benzoic acid","","COC1=C(C(=C(C(=C1)C(=O)O)C2=CC3=C(C=C2C=CC(=O)OC)OCO3)OC)OC","GHBMKATUAQBRTJ-AATRIKPKSA-N","5467083",NA,"PDBC18571","647368","Present"
-"3,4,5-Trimethoxy-2-nitrobenzoic acid","","","","","","","","","","","","","","","","","","","","2-Nitro-3,4,5-trimethoxybenzoic acid","","COC1=C(C(=C(C(=C1)C(=O)O)[N+](=O)[O-])OC)OC","VPVAFLFJAAPHKI-UHFFFAOYSA-N","97116",NA,"PDBC18572","100936","Present"
-"3,4,5-Trimethoxy-N'-(3-nitrobenzylidene)benzohydrazide","","","","","","","","","","","","","","","","","","","","Benzoic acid, 3,4,5-trimethoxy-, [(3-nitrophenyl)methyle...","","COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-]","IRWQJZALPNFBKW-VCHYOVAHSA-N","6861410",NA,"PDBC18573","326420","Present"
-"3,4,5-Trimethoxy-N,N',N'-trimethylbenzohydrazide","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxy-N,N',N'-trimethylbenzohydrazide","","CN(C)N(C)C(=O)C1=CC(=C(C(=C1)OC)OC)OC","NQVJVDSURHFNAQ-UHFFFAOYSA-N","267536",NA,"PDBC18574","106877","Present"
-"3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzamide","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxy-N-(4-Methoxyphenyl)-Benzamide","","COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC","BQYHECHXLBBJKB-UHFFFAOYSA-N","364715",NA,"PDBC18575","631373","Present"
-"3,4,5-Trimethoxy-N-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-ylmethyl)aniline","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxy-N-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-ylmethyl)aniline","","COC1=CC(=CC(=C1OC)OC)NCC2=CC=C3N2C4=CC=CC=C4OC3","ABSFLCYOGKBJHW-UHFFFAOYSA-N","403776",NA,"PDBC18576","719249","Present"
-"3,4,5-Trimethoxy-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(3,4,5-trimethoxybenzoyl)carbamothioyl]benzamide","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxy-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(3,4,5-trimethoxybenzoyl)carbamothioyl]benzamide","","COC1=CC(=CC(=C1OC)OC)C(=O)N(CC2=CN=CC=C2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC","KTECNGMFQJDNCZ-UHFFFAOYSA-N","401372",NA,"PDBC18577","714684","Present"
-"3,4,5-Trimethoxy-N-[(4-methoxyphenyl)methyl]aniline","","","","","","","","","","","","","","","","","","","","N-(4-Methoxybenzyl)-3,4,5-trimethoxyaniline","","COC1=CC=C(C=C1)CNC2=CC(=C(C(=C2)OC)OC)OC","DYEUTHLELOFMTM-UHFFFAOYSA-N","364712",NA,"PDBC18578","631370","Present"
-"3,4,5-Trimethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline","","CC(C1=CC=C(C=C1)OC)NC2=CC(=C(C(=C2)OC)OC)OC","AQKWATYTUZGXDX-UHFFFAOYSA-N","364711",NA,"PDBC18579","631369","Present"
-"3,4,5-Trimethoxybenzylidene acetophenone","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxybenzylidene acetophenone","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=CC=C2","MFDFEQQOFGIZAS-MDZDMXLPSA-N","5712112",NA,"PDBC18580","643180","Present"
-"3,4,5-Trimethoxybenzylidene pinacolone","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxybenzylidene pinacolone","","CC(C)(C)C(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC","JFUADQDIVYIHHG-BQYQJAHWSA-N","6156677",NA,"PDBC18581","643179","Present"
-"3,4,5-Trimethoxypentylidene malononitrile","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxypentylidene malononitrile","","COCC(C(CC=C(C#N)C#N)OC)OC","MQMXFBSFZANTIS-UHFFFAOYSA-N","370544",NA,"PDBC18582","643771","Present"
-"3,4,5-Tris(chloromethyl)-1-phenyl-1H-pyrazole","","","","","","","","","","","","","","","","","","","","3,4,5-Tris(chloromethyl)-1-phenyl-1H-pyrazole","","C1=CC=C(C=C1)N2C(=C(C(=N2)CCl)CCl)CCl","IMCHSGFXKKIIGS-UHFFFAOYSA-N","384487",NA,"PDBC18583","674316","Present"
-"3,4,5-Tris(phenylsulfanyl)pyridine-2,6-dicarbonitrile","","","","","","","","","","","","","","","","","","","","2,6-Pyridinedicarbonitrile, 3,4,5-tris(phenylthio)-","","C1=CC=C(C=C1)SC2=C(N=C(C(=C2SC3=CC=CC=C3)SC4=CC=CC=C4)C#N)C#N","MMEWWNCMPUGYOO-UHFFFAOYSA-N","318768",NA,"PDBC18584","258168","Present"
-"3,4,6,7,10,11-Hexahydro-2H,9H-1,5,8,12-benzotetrathiacyclotetradecine","","","","","","","","","","","","","","","","","","","","3,4,6,7,10,11-Hexahydro-2H,9H-1,5,8,12-benzotetrathiacyclotetradecine","","C1CSCCSCCCSC2=CC=CC=C2SC1","VJOLUSJKEFZSGU-UHFFFAOYSA-N","373818",NA,"PDBC18585","650781","Present"
-"3,4,6-Trichloro-2-[[2-[(2,3,5-trichloro-6-hydroxyphenyl)methylamino]ethylamino]methyl]phenol","","","","","","","","","","","","","","","","","","","","3,4,6-Trichloro-2-[[2-[(2,3,5-trichloro-6-hydroxyphenyl)methylamino]ethylamino]methyl]phenol","","C1=C(C(=C(C(=C1Cl)Cl)CNCCNCC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl","LABARNRANBXRQE-UHFFFAOYSA-N","223883",NA,"PDBC18586","11969","Present"
-"3,4,6-Trichloro-5,7-dimethyl-2h-chromen-2-one","","","","","","","","","","","","","","","","","","","","3,4,6-Trichloro-5,7-dimethyl-2h-chromen-2-one","","CC1=CC2=C(C(=C1Cl)C)C(=C(C(=O)O2)Cl)Cl","GEDSDJKKACCVPG-UHFFFAOYSA-N","282451",NA,"PDBC18587","135929","Present"
-"3,4,6-Trimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one","","","","","","","","","","","","","","","","","","","","3,4,6-Trimethyl-2-phenyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one","","CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C)C","LWHSKWBVAIELHS-UHFFFAOYSA-N","369356",NA,"PDBC18588","641112","Present"
-"3,4,7,8-Tetrahydro-2H,6H-1,5,9-benzotrithiacycloundecine","","","","","","","","","","","","","","","","","","","","3,4,7,8-Tetrahydro-2H,6H-1,5,9-benzotrithiacycloundecine","","C1CSCCCSC2=CC=CC=C2SC1","PJUMTQDSMPFWGI-UHFFFAOYSA-N","373821",NA,"PDBC18589","650784","Present"
-"3,4,7-Trichloro-N,N-bis(2-chloroethyl)-11-oxobenzo[d][1,3,6,2]benzodioxathiaphosphocin-11-amine","","","","","","","","","","","","","","","","","","","","3,4,7-Trichloro-N,N-bis(2-chloroethyl)-11-oxobenzo[d][1,3,6,2]benzodioxathiaphosphocin-11-amine","","C1=CC2=C(C=C1Cl)SC3=C(C=CC(=C3Cl)Cl)OP(=O)(O2)N(CCCl)CCCl","XJVRODHTQOHLNA-UHFFFAOYSA-N","382835",NA,"PDBC18590","670664","Present"
-"3,4,8-Trimethyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","3,4,8-Trimethyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3(CC(=C)C(=O)O3)C)C","ZTAQZLVRTRINNV-UHFFFAOYSA-N","381508",NA,"PDBC18591","668264","Present"
-"3,4,8-Trimethyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","3,4,8-Trimethyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4)C","BISHOPKZVHUCGR-UHFFFAOYSA-N","381512",NA,"PDBC18592","668268","Present"
-"3,4-Bis((aminocarbothioyl)hydrazono)-2,5-diphenylhexanedinitrile","","","","","","","","","","","","","","","","","","","","3,4-Bis((aminocarbothioyl)hydrazono)-2,5-diphenylhexanedinitrile","","C1=CC=C(C=C1)C(C#N)C(=NNC(=S)N)C(=NNC(=S)N)C(C#N)C2=CC=CC=C2","YHSIOISZLFPZGH-MFYXSQMNSA-N","9570045",NA,"PDBC18593","635398","Present"
-"3,4-Bis(1-methylindol-3-yl)-1,2,5-oxadiazole","","","","","","","","","","","","","","","","","","","","3,3'-(1,2,5-oxadiazole-3,4-diyl)bis(1-methyl-1H-indole)","","CN1C=C(C2=CC=CC=C21)C3=NON=C3C4=CN(C5=CC=CC=C54)C","BYCFNFRFVITXCN-UHFFFAOYSA-N","155812489",NA,"PDBC18594","801519","Present"
-"3,4-Bis(2-anilino-2-oxoethyl)-N~2~,N~5~-diphenyl-2,5-thiophenedicarboxamide","","","","","","","","","","","","","","","","","","","","3,4-Bis(2-anilino-2-oxoethyl)-N~2~,N~5~-diphenyl-2,5-thiophenedicarboxamide","","C1=CC=C(C=C1)NC(=O)CC2=C(SC(=C2CC(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5","UBFFFZZNIQKWNU-UHFFFAOYSA-N","363194",NA,"PDBC18595","627868","Present"
-"3,4-Bis(4-chlorophenyl)-6H-1,2,5-oxadiazine","","","","","","","","","","","","","","","","","","","","3,4-Bis(4-chlorophenyl)-6H-1,2,5-oxadiazine","","C1N=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","NTLPPBYJSBMZMV-UHFFFAOYSA-N","389370",NA,"PDBC18596","685416","Present"
-"3,4-Bis(4-methoxyphenyl)-1H-imidazole-2-thione","","","","","","","","","","","","","","","","","","","","3,4-Bis(4-methoxyphenyl)-1H-imidazole-2-thione","","COC1=CC=C(C=C1)C2=CNC(=S)N2C3=CC=C(C=C3)OC","VDSSUHQSYGTUAM-UHFFFAOYSA-N","18524150",NA,"PDBC18597","730531","Present"
-"3,4-Bis(4-methoxyphenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide","","","","","","","","","","","","","","","","","","","","3,4-Bis(4-methoxyphenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide","","COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NC3=NC=CS3","UPSWIRQXQLGRDS-UHFFFAOYSA-N","361443",NA,"PDBC18598","624465","Present"
-"3,4-Bis(4-methylphenyl)-1,2,5-triphenyl-2,4-cyclopentadien-1-ol","","","","","","","","","","","","","","","","","","","","3,4-Bis(4-methylphenyl)-1,2,5-triphenyl-2,4-cyclopentadien-1-ol","","CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=CC=C5)O)C6=CC=CC=C6","BZXAJSZVTFJPAE-UHFFFAOYSA-N","370267",NA,"PDBC18599","643045","Present"
-"3,4-Bis(4-methylphenyl)-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one","","","","","","","","","","","","","","","","","","","","3,4-di-p-tolylisoxazolo[3,4-d]pyridazin-7(6H)-one","","CC1=CC=C(C=C1)C2=C3C(=NNC(=O)C3=NO2)C4=CC=C(C=C4)C","MIVUTDACJQIZLB-UHFFFAOYSA-N","155815969",NA,"PDBC18600","765773","Present"
-"3,4-Bis(5-methyl-2-methylsulfonyl-3-thienyl)-2-oxido-1,2,5-oxadiazol-2-ium","","","","","","","","","","","","","","","","","","","","3,4-Bis(5-methyl-2-methylsulfonyl-3-thienyl)-2-oxido-1,2,5-oxadiazol-2-ium","","CC1=CC(=C(S1)S(=O)(=O)C)C2=NO[N+](=C2C3=C(SC(=C3)C)S(=O)(=O)C)[O-]","NVZBFRMNYPOGCV-UHFFFAOYSA-N","392975",NA,"PDBC18601","694217","Present"
-"3,4-Bis(benzoyloxy)-5-(3-cyano-4-(2-furyl)-6-(4-methoxyphenyl)-2-oxo-1(2H)-pyridinyl)tetrahydro-2-furanyl benzoate","","","","","","","","","","","","","","","","","","","","[4,5-Dibenzoyloxy-2-[3-cyano-4-(furan-2-yl)-6-(4-methoxyphenyl)-2-oxopyridin-1-yl]oxolan-3-yl] benzoate","","COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(O3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C#N)C7=CC=CO7","VVWMRCSDZLWLDA-UHFFFAOYSA-N","368882",NA,"PDBC18602","640227","Present"
-"3,4-Bis(benzoyloxy)-5-(3-cyano-4-(2-furyl)-6-(4-methylphenyl)-2-oxo-1(2H)-pyridinyl)tetrahydro-2-furanyl benzoate","","","","","","","","","","","","","","","","","","","","[4,5-Dibenzoyloxy-2-[3-cyano-4-(2-furyl)-2-oxo-6-(p-tolyl)-1-pyridyl]tetrahydrofuran-3-yl] benzoate","","CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(O3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C#N)C7=CC=CO7","NNAZKQHSNHTJPW-UHFFFAOYSA-N","368881",NA,"PDBC18603","640226","Present"
-"3,4-Bis(diethylamino)cyclobut-3-ene-1,2-dione","","","","","","","","","","","","","","","","","","","","3,4-Bis(diethylamino)cyclobut-3-ene-1,2-dione","","CCN(CC)C1=C(C(=O)C1=O)N(CC)CC","YFAGDBJCYIUVGA-UHFFFAOYSA-N","394542",NA,"PDBC18604","698087","Present"
-"3,4-Bis(hydroxyimino)-2,5-diphenylhexanedinitrile","","","","","","","","","","","","","","","","","","","","3,4-Bis(hydroxyimino)-2,5-diphenylhexanedinitrile","","C1=CC=C(C=C1)C(C#N)C(=NO)C(=NO)C(C#N)C2=CC=CC=C2","QMGCWINKDOTCDD-SVJWQLCWSA-N","135510121",NA,"PDBC18605","635392","Present"
-"3,4-Bis(phenylseleno)-2,5-furandione","","","","","","","","","","","","","","","","","","","","3,4-Bis(phenylseleno)-2,5-furandione","","C1=CC=C(C=C1)[Se]C2=C(C(=O)OC2=O)[Se]C3=CC=CC=C3","QNAWHENTNHXXSX-UHFFFAOYSA-N","362383",NA,"PDBC18606","626152","Present"
-"3,4-Bis-(4-methoxyphenyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3,4-bis-(4-methoxyphenyl)-2(5H)-furanone","","COC1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=C(C=C3)OC","IJFFKYIZAHUKCA-UHFFFAOYSA-N","14904973",NA,"PDBC18607","727207","Present"
-"3,4-Bis-allyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5H-furan-2-one","","","","","","","","","","","","","","","","","","","","3,4-Bis-allyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5H-furan-2-one","","CC1(OCC(O1)C2C(=C(C(=O)O2)OCC=C)OCC=C)C","NUEFTURFZQMGGL-UHFFFAOYSA-N","386048",NA,"PDBC18608","677615","Present"
-"3,4-Bis-benzyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5H-furan-2-one","","","","","","","","","","","","","","","","","","","","3,4-Bis-benzyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5H-furan-2-one","","CC1(OCC(O1)C2C(=C(C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C","PBXJCPIRBBYFQV-UHFFFAOYSA-N","386047",NA,"PDBC18609","677614","Present"
-"3,4-Bis-p-tolyloxy-5-p-tolyloxymethyl-tetrahydro-furan-2-carbonitrile","","","","","","","","","","","","","","","","","","","","3,4-Bis-p-tolyloxy-5-p-tolyloxymethyl-tetrahydro-furan-2-carbonitrile","","CC1=CC=C(C=C1)OCC2C(C(C(O2)C#N)OC3=CC=C(C=C3)C)OC4=CC=C(C=C4)C","UCMVEHZZLCIDFM-UHFFFAOYSA-N","390048",NA,"PDBC18610","686962","Present"
-"3,4-DICHLORO-4'-FLUOROCHALCONE","","","","","","","","","","","","","","","","","","","","3,4-DICHLORO-4'-FLUOROCHALCONE","","C1=CC(=CC=C1C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)F","ZBJPOWYVNNEFRF-KRXBUXKQSA-N","5388422",NA,"PDBC18611","635957","Present"
-"3,4-Di(1-adamantyl)tetrahydro-3,4-thiophenediol","","","","","","","","","","","","","","","","","","","","3,4-Di(1-adamantyl)tetrahydro-3,4-thiophenediol","","C1C2CC3CC1CC(C2)(C3)C4(CSCC4(C56CC7CC(C5)CC(C7)C6)O)O","RMQKGNULRWIFRE-UHFFFAOYSA-N","372749",NA,"PDBC18612","648367","Present"
-"3,4-Di(1-naphthyl)-3-cyclobutene-1,2-dione","","","","","","","","","","","","","","","","","","","","3,4-Di(1-naphthyl)-3-cyclobutene-1,2-dione","","C1=CC=C2C(=C1)C=CC=C2C3=C(C(=O)C3=O)C4=CC=CC5=CC=CC=C54","RVVINPXTKHEJOK-UHFFFAOYSA-N","363398",NA,"PDBC18613","628301","Present"
-"3,4-Dibenzyl-2,5-dimethylthiophene-S-oxide","","","","","","","","","","","","","","","","","","","","3,4-Dibenzyl-2,5-dimethylthiophene-S-oxide","","CC1=C(C(=C(S1=O)C)CC2=CC=CC=C2)CC3=CC=CC=C3","WYGKLUBPLMTKQG-UHFFFAOYSA-N","398745",NA,"PDBC18614","708876","Present"
-"3,4-Dibromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate","","","","","","","","","","","","","","","","","","","","3,4-Dibromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate","","CC1=NN2C=CC(=C(C2=C1Br)Br)OC(=O)C","NAKVLOJIBIYNJJ-UHFFFAOYSA-N","386503",NA,"PDBC18615","678873","Present"
-"3,4-Dibromosulfolane","","","","","","","","","","","","","","","","","","","","3,4-dibromosulfolane","","C1C(C(CS1(=O)=O)Br)Br","CGWKQCYAMPDEGC-UHFFFAOYSA-N","85797",NA,"PDBC18616","75382","Present"
-"3,4-Dicaffeoylquinic acid","","","","","","","","","","","","","","","","","","","","3,4-Dicaffeoylquinic acid","","C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O","UFCLZKMFXSILNL-WIYVNLJQSA-N","5459216",NA,"PDBC18617","649410","Present"
-"3,4-Dichloro-1-(2,3,4-trichlorophenyl)pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-1-(2,3,4-trichlorophenyl)pyrrole-2,5-dione","","C1=CC(=C(C(=C1N2C(=O)C(=C(C2=O)Cl)Cl)Cl)Cl)Cl","KFORIHBASFONEJ-UHFFFAOYSA-N","360329",NA,"PDBC18618","622377","Present"
-"3,4-Dichloro-1-(2-chlorophenyl)-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-1-(2-chlorophenyl)-1H-pyrrole-2,5-dione","","C1=CC=C(C(=C1)N2C(=O)C(=C(C2=O)Cl)Cl)Cl","HMABFSHJGPPYEN-UHFFFAOYSA-N","360334",NA,"PDBC18619","622382","Present"
-"3,4-Dichloro-1-(3-chloro-2-methylphenyl)pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-1-(3-chloro-2-methylphenyl)-1H-pyrrole-2,5-dione","","CC1=C(C=CC=C1Cl)N2C(=O)C(=C(C2=O)Cl)Cl","BTOZVQONCUGZDC-UHFFFAOYSA-N","360307",NA,"PDBC18620","622342","Present"
-"3,4-Dichloro-1-(3-methylphenyl)-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-1-(3-methylphenyl)-1H-pyrrole-2,5-dione","","CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)Cl","RFPPQWGQWPTLDJ-UHFFFAOYSA-N","360306",NA,"PDBC18621","622341","Present"
-"3,4-Dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","(2,2-Dimethyl)-1,3-propandiyl-bis(2,3-dichloro)maleimide","","CC(C)(CN1C(=O)C(=C(C1=O)Cl)Cl)CN2C(=O)C(=C(C2=O)Cl)Cl","PCOXPBOKDABARQ-UHFFFAOYSA-N","357621",NA,"PDBC18622","617145","Present"
-"3,4-Dichloro-2-[4-[(3,4-dichloro-5-oxo-2H-furan-2-yl)oxy]but-2-ynoxy]-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-2-[4-[(3,4-dichloro-5-oxo-2H-furan-2-yl)oxy]but-2-ynoxy]-2H-furan-5-one","","C(C#CCOC1C(=C(C(=O)O1)Cl)Cl)OC2C(=C(C(=O)O2)Cl)Cl","RVNZYECYGFHVQA-UHFFFAOYSA-N","353833",NA,"PDBC18623","603085","Present"
-"3,4-Dichloro-2h-chromen-2-one","","","","","","","","","","","","","","","","","","","","3,4-dichlorocoumarin","","C1=CC=C2C(=C1)C(=C(C(=O)O2)Cl)Cl","LUXWWAWZBUBXEP-UHFFFAOYSA-N","282447",NA,"PDBC18624","135925","Present"
-"3,4-Dichloro-5-(2-(2,4-dichlorophenyl)-2-oxoethyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-5-(2-(2,4-dichlorophenyl)-2-oxoethyl)-2(5H)-furanone","","C1=CC(=C(C=C1Cl)Cl)C(=O)CC2C(=C(C(=O)O2)Cl)Cl","PXRLVDGPDMTNGF-UHFFFAOYSA-N","362213",NA,"PDBC18625","625815","Present"
-"3,4-Dichloro-5-(2-(2-chlorophenyl)-2-oxoethyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-5-(2-(2-chlorophenyl)-2-oxoethyl)-2(5H)-furanone","","C1=CC=C(C(=C1)C(=O)CC2C(=C(C(=O)O2)Cl)Cl)Cl","JEUZGICJQYCREJ-UHFFFAOYSA-N","366302",NA,"PDBC18626","634653","Present"
-"3,4-Dichloro-5-(2-(3,4-dichlorophenyl)-2-oxoethyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-5-(2-(3,4-dichlorophenyl)-2-oxoethyl)-2(5H)-furanone","","C1=CC(=C(C=C1C(=O)CC2C(=C(C(=O)O2)Cl)Cl)Cl)Cl","HFXAUIWUJBKNPR-UHFFFAOYSA-N","364799",NA,"PDBC18627","631558","Present"
-"3,4-Dichloro-5-(2-(4-chloro-3-methoxyphenyl)-2-oxoethyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-5-(2-(4-chloro-3-methoxyphenyl)-2-oxoethyl)-2(5H)-furanone","","COC1=C(C=CC(=C1)C(=O)CC2C(=C(C(=O)O2)Cl)Cl)Cl","DKWGKAKCJDUFCD-UHFFFAOYSA-N","366858",NA,"PDBC18628","635837","Present"
-"3,4-Dichloro-5-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-5-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-2(5H)-furanone","","CC(C1C(=C(C(=O)O1)Cl)Cl)C(=O)C2=CC=C(C=C2)Cl","BAHJXRKPPQZQDT-UHFFFAOYSA-N","364792",NA,"PDBC18629","631551","Present"
-"3,4-Dichloro-5-(2-(4-chlorophenyl)-2-oxoethyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-5-(2-(4-chlorophenyl)-2-oxoethyl)-2(5H)-furanone","","C1=CC(=CC=C1C(=O)CC2C(=C(C(=O)O2)Cl)Cl)Cl","LQYBKXDTOSRFSI-UHFFFAOYSA-N","362209",NA,"PDBC18630","625810","Present"
-"3,4-Dichloro-5-(2-(4-fluorophenyl)-2-oxoethyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-5-(2-(4-fluorophenyl)-2-oxoethyl)-2(5H)-furanone","","C1=CC(=CC=C1C(=O)CC2C(=C(C(=O)O2)Cl)Cl)F","QQLDOYLCNGRCHX-UHFFFAOYSA-N","366303",NA,"PDBC18631","634654","Present"
-"3,4-Dichloro-5-(2-oxo-4-phenylbutyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-5-(2-oxo-4-phenylbutyl)-2(5H)-furanone","","C1=CC=C(C=C1)CCC(=O)CC2C(=C(C(=O)O2)Cl)Cl","FMMIUQQAOAJHHY-UHFFFAOYSA-N","366783",NA,"PDBC18632","635557","Present"
-"3,4-Dichloro-N'-phenylbenzohydrazide","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-N'-phenylbenzohydrazide","","C1=CC=C(C=C1)NNC(=O)C2=CC(=C(C=C2)Cl)Cl","HXBPZFZVFVWUMI-UHFFFAOYSA-N","346727",NA,"PDBC18633","405029","Present"
-"3,4-Dichloro-N-((3-chloro-2-phenyl-6-quinoxalinyl)methyl)-N-(2-propynyl)aniline","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-N-((3-chloro-2-phenyl-6-quinoxalinyl)methyl)-N-(2-propynyl)aniline","","C#CCN(CC1=CC2=C(C=C1)N=C(C(=N2)Cl)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl","KRZLIMVRFCIPJC-UHFFFAOYSA-N","374161",NA,"PDBC18634","651630","Present"
-"3,4-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline","","CC(=NC1=CC(=C(C=C1)Cl)Cl)C2=CC=NC=C2","MZVUFYKOPKODJP-UHFFFAOYSA-N","383459",NA,"PDBC18635","671845","Present"
-"3,4-Dichloro-N-(3-methyl-1,3-oxazol-2(3H)-ylidene)aniline","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-N-(3-methyl-1,3-oxazol-2(3H)-ylidene)aniline","","CN1C=COC1=NC2=CC(=C(C=C2)Cl)Cl","MXPFEGCBXJXNHY-UHFFFAOYSA-N","377659",NA,"PDBC18636","659240","Present"
-"3,4-Dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide","","","","","","","","","","","","","","","","","","","","3,4-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyrid...","","C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)Cl)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","FUIJBKHVFIBTKM-UHFFFAOYSA-N","56649574",NA,"PDBC18637","753186","Present"
-"3,4-Dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide","","","","","","","","","","","","","","","","","","","","3,4-dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyrid...","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl)Cl","JTSDTZUQEGTSCM-UHFFFAOYSA-N","56649611",NA,"PDBC18638","753185","Present"
-"3,4-Dichloro-N-[(3,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-N-[(3,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","C1=CC(=CN=C1)CN(C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)Cl","XAFRFNJWHJVPPP-UHFFFAOYSA-N","401369",NA,"PDBC18639","714681","Present"
-"3,4-Dichloro-N-[(E)-[(E)-1-phenylpent-1-en-3-ylidene]amino]aniline","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-N-[(E)-[(E)-1-phenylpent-1-en-3-ylidene]amino]aniline","","CCC(=NNC1=CC(=C(C=C1)Cl)Cl)C=CC2=CC=CC=C2","LTTOUUHVKAYFKL-JWEYOLHDSA-N","6244313",NA,"PDBC18640","382761","Present"
-"3,4-Dichloro-N-[1-(4-pyridyl)ethyl]aniline","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-N-[1-(4-pyridyl)ethyl]aniline","","CC(C1=CC=NC=C1)NC2=CC(=C(C=C2)Cl)Cl","DASPUAXJMCSULV-UHFFFAOYSA-N","383454",NA,"PDBC18641","671840","Present"
-"3,4-Dichloro-N-phenylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","3,4-Dichloro-N-phenylbenzenesulfinamide","","C1=CC=C(C=C1)NS(=O)C2=CC(=C(C=C2)Cl)Cl","ODBDGBFYDLCYTA-UHFFFAOYSA-N","385388",NA,"PDBC18642","676562","Present"
-"3,4-Dichloro-alpha-methylbenzeneethanamine hydrochloride","","","","","","","","","","","","","","","","","","","","LS-103271","","CC(CC1=CC(=C(C=C1)Cl)Cl)N.Cl","OFHUVEDFQIRAKY-UHFFFAOYSA-N","201553",NA,"PDBC18643","93734","Present"
-"3,4-Dichlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone","","","","","","","","","","","","","","","","","","","","3,4-Dichlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone","","CC1CCC2=C(C1)SC3=NC=NC(=C23)NN=CC4=CC(=C(C=C4)Cl)Cl","XJECBOIWACNDEV-LIMNOBDPSA-N","9555914",NA,"PDBC18644","653513","Present"
-"3,4-Dichlorobenzoic acid (2-benzylidenecyclohexylidene)amino ester","","","","","","","","","","","","","","","","","","","","NSC629626","","C1CCC(=NOC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=CC3=CC=CC=C3)C1","YSTDIKUIUMSQMQ-NCJNOBNRSA-N","5935456",NA,"PDBC18645","629626","Present"
-"3,4-Dichlorobenzyl)-2,5-dioxo-2,5-dihydro-1H-3-pyrrolylamino]phenylcarboxamido}benzene","","","","","","","","","","","","","","","","","","","","3,5-dichloro-1-{4-[4-chloro-1-(2,4-dichlorobenzyl)-2,5-d...","","C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)Cl)Cl)NC3=C(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)Cl","CWIRBAVARWSRTI-UHFFFAOYSA-N","1640162",NA,"PDBC18646","732697","Present"
-"3,4-Dichlorobenzyltriphenylphosphonium chloride","","","","","","","","","","","","","","","","","","","","eulan nk","","C1=CC=C(C=C1)[P+](CC2=CC(=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","LZXHHNKULPHARO-UHFFFAOYSA-M","77265",NA,"PDBC18647","71536","Present"
-"3,4-Dichlorobutane-1,2-diol","","","","","","","","","","","","","","","","","","","","3,4-Dichlorobutane-1,2-diol","","C(C(C(CCl)Cl)O)O","LDOQHQCRWONJRZ-UHFFFAOYSA-N","353042",NA,"PDBC18648","600059","Present"
-"3,4-Dichloroisocoumarin","","","","","","","","","","","","","","","","","","","","3,4-Dichloroisocoumarin","","C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl","SUGXUUGGLDCZKB-UHFFFAOYSA-N","1609",NA,"PDBC18649","727363","Present"
-"3,4-Diethoxy-4-methoxy-2-(2-methylallyl)cyclobut-2-en-1-one","","","","","","","","","","","","","","","","","","","","3,4-Diethoxy-4-methoxy-2-(2-methylallyl)cyclobut-2-en-1-one","","CCOC1=C(C(=O)C1(OC)OCC)CC(=C)C","VLEUGYZIWVWOML-UHFFFAOYSA-N","394537",NA,"PDBC18650","698082","Present"
-"3,4-Dihydro-1H-1-benzazepine-2,5-dione","","","","","","","","","","","","","","","","","","","","CS-M3477","","C1CC(=O)NC2=CC=CC=C2C1=O","VDTXDALRBZEUFV-UHFFFAOYSA-N","369398",NA,"PDBC18651","641163","Present"
-"3,4-Dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole","","","","","","","","","","","","","","","","","","","","11-thia-1,8-diazatricyclo[7.4.0.0?,?]trideca-2,4,6,8-tetraene","","C1CSCC2=NC3=CC=CC=C3N21","NSRQDOYLIDIRIG-UHFFFAOYSA-N","395900",NA,"PDBC18652","700995","Present"
-"3,4-Dihydro-1H-isoquinolin-2-yl(thiophen-2-yl)methanone","","","","","","","","","","","","","","","","","","","","N-[Thiophene-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline","","C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CS3","LDPPWKSSXULXNJ-UHFFFAOYSA-N","380532",NA,"PDBC18653","666145","Present"
-"3,4-Dihydro-2H-1,5-benzodithiepine","","","","","","","","","","","","","","","","","","","","3,4-Dihydro-2H-1,5-benzodithiepine","","C1CSC2=CC=CC=C2SC1","XIZWKFJENMQBFI-UHFFFAOYSA-N","373820",NA,"PDBC18654","650783","Present"
-"3,4-Dihydro-2H-pyrimido[2,1-b]benzothiazole-2-one","","","","","","","","","","","","","","","","","","","","3,4-Dihydropyrimido[2,1-b][1,3]benzothiazol-2-one","","C1CN2C3=CC=CC=C3SC2=NC1=O","CNRJARABPWJMGL-UHFFFAOYSA-N","397294",NA,"PDBC18655","704847","Present"
-"3,4-Dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione","","","","","","","","","","","","","","","","","","","","3,4-dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione","","CC1(CC2=C(C(=O)C3=CC=CC=C3C2=O)OC1)C","ULXYWPKYMYLJBG-UHFFFAOYSA-N","178515",NA,"PDBC18656","662425","Present"
-"3,4-Dihydro-4-(3,4,5-trimethoxyphenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2(1H)-one","","","","","","","","","","","","","","","","","","","","3,4-dihydro-4-(3,4,5-trimethoxyphenyl)-6-(3,4-dimethoxyp...","","COC1=C(C=C(C=C1)C2=CC(NC(=O)N2)C3=CC(=C(C(=C3)OC)OC)OC)OC","VUSBBSCDHMMECT-UHFFFAOYSA-N","54589711",NA,"PDBC18657","754204","Present"
-"3,4-Dihydrocoumarin","","","","","","","","","","","","","","","","","","","","melilotin","","C1CC(=O)OC2=CC=CC=C21","VMUXSMXIQBNMGZ-UHFFFAOYSA-N","660",NA,"PDBC18658","10121","Present"
-"3,4-Dihydrocyclobuta[c]isoquinoline-1,2-dione","","","","","","","","","","","","","","","","","","","","3,4-Dihydrocyclobuta[c]isoquinoline-1,2-dione","","C1C2=CC=CC=C2C3=C(N1)C(=O)C3=O","YDXXODUTMJQYED-UHFFFAOYSA-N","375768",NA,"PDBC18659","655918","Present"
-"3,4-Dihydrodithiolo[4,3-d]pyrimidine-5,7-dione","","","","","","","","","","","","","","","","","","","","7H-5,6-Dithioleno[4,3-d]uracil","","C1C2=C(C(=O)NC(=O)N2)SS1","MADOTEVJKDEDPC-UHFFFAOYSA-N","388876",NA,"PDBC18660","684074","Present"
-"3,4-Dihydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","","","","","","","","","","","","","","","","","","","3,4-Dihydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","CC(C)CC1=C2C(C(C(=C)C13CC3)O)C(C(C2=O)(C)C)O","HQWHTICQYSVZNN-UHFFFAOYSA-N","406835",NA,"PDBC18661","725126","Present"
-"3,4-Dihydroxy-2-(hydroxymethyl)-2-methyl-5-methylidene-7-(2-phenylethyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","","","","","","","","","","","","","","","","","","","3,4-Dihydroxy-2-(hydroxymethyl)-2-methyl-5-methylidene-7-(2-phenylethyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","CC1(C(C2C(C(=C)C3(CC3)C(=C2C1=O)CCC4=CC=CC=C4)O)O)CO","TWXNZEWMABFFHW-UHFFFAOYSA-N","406852",NA,"PDBC18662","725143","Present"
-"3,4-Dihydroxy-2-methyl-1-pentofuranosylpyridin-1-ium chloride","","","","","","","","","","","","","","","","","","","","1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyridin-1-ium-3,4-diol;chloride","","CC1=[N+](C=CC(=C1O)O)C2C(C(C(O2)CO)O)O.[Cl-]","BFWDYNSVTAYXBH-UHFFFAOYSA-N","24200222",NA,"PDBC18663","363806","Present"
-"3,4-Dihydroxy-2-methyl-17-(2-morpholin-4-ylethyl)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione","","","","","","","","","","","","","","","","","","","","N-[2-(morpholin-4-yl)ethyl]-L-olivosyl-AF (2N)","","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)CCN9CCOCC9)O)O","DXBAQAMYLCKDOJ-UHFFFAOYSA-N","155813715",NA,"PDBC18664","782957","Present"
-"3,4-Dihydroxy-2-methyl-17-(2-pyrrolidin-1-ylethyl)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione","","","","","","","","","","","","","","","","","","","","N-[2-(pyrrolidin-1-yl)-ethyl]-L-olivosyl-AF (2N)","","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)CCN9CCCC9)O)O","XJYNVAXGGJANRW-UHFFFAOYSA-N","155807094",NA,"PDBC18665","782958","Present"
-"3,4-Dihydroxy-2-methyl-3,4-bis(p-tolyl)isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","3,4-Dihydroxy-2-methyl-3,4-bis(p-tolyl)isoquinolin-1-one","","CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N(C2(C4=CC=C(C=C4)C)O)C)O","UQRXVACWPANGTN-UHFFFAOYSA-N","387986",NA,"PDBC18666","682352","Present"
-"3,4-Dihydroxy-2-methyl-3,4-diphenyl-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","3,4-Dihydroxy-2-methyl-3,4-diphenyl-isoquinolin-1-one","","CN1C(=O)C2=CC=CC=C2C(C1(C3=CC=CC=C3)O)(C4=CC=CC=C4)O","IYUOZWXCZKEYSV-UHFFFAOYSA-N","387985",NA,"PDBC18667","682351","Present"
-"3,4-Dihydroxy-3,4-bis(4-methoxyphenyl)-2-methyl-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","3,4-Dihydroxy-3,4-bis(4-methoxyphenyl)-2-methyl-isoquinolin-1-one","","CN1C(=O)C2=CC=CC=C2C(C1(C3=CC=C(C=C3)OC)O)(C4=CC=C(C=C4)OC)O","PAGDRAMRAMMAND-UHFFFAOYSA-N","387987",NA,"PDBC18668","682353","Present"
-"3,4-Dihydroxy-5-(hydroxymethyl)-N'-(4-nitrophenyl)oxolane-2-carbohydrazide","","","","","","","","","","","","","","","","","","","","3,4-Dihydroxy-5-(hydroxymethyl)-N'-(4-nitrophenyl)oxolane-2-carbohydrazide","","C1=CC(=CC=C1NNC(=O)C2C(C(C(O2)CO)O)O)[N+](=O)[O-]","NIELHAKRVUBSSA-UHFFFAOYSA-N","3752295",NA,"PDBC18669","651808","Present"
-"3,4-Dihydroxy-5-methoxybenzaldehyde","","","","","","","","","","","","","","","","","","","","5-methoxyprotocatechualdehyde","","COC1=CC(=CC(=C1O)O)C=O","RRKMWVISRMWBAL-UHFFFAOYSA-N","77535",NA,"PDBC18670","16679","Present"
-"3,4-Dihydroxy-5-methylfuran-2(5H)-one","","","","","","","","","","","","","","","","","","","","1519AE","","CC1C(=C(C(=O)O1)O)O","ASEPVSZWYGTTAB-UHFFFAOYSA-N","54676244",NA,"PDBC18671","628296","Present"
-"3,4-Dihydroxybenzaldoxime","","","","","","","","","","","","","","","","","","","","CC-13186","","C1=CC(=C(C=C1C=NO)O)O","NUFMSECAGOXHAV-XBXARRHUSA-N","135482064",NA,"PDBC18672","637189","Present"
-"3,4-Dihydroxybenzylamine hydrobromide","","","","","","","","","","","","","","","","","","","","1,2-Benzenediol, 4-(aminomethyl)-, hydrobromide","","C1=CC(=C(C=C1CN)O)O.Br","BVFZTXFCZAXSHN-UHFFFAOYSA-N","13343562",NA,"PDBC18673","263475","Present"
-"3,4-Dihydroxynaphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","1,2-Hydroxy-3-naphthoic acid","","C1=CC=C2C(=C1)C=C(C(=C2O)O)C(=O)O","BMHCSEJDJONPSF-UHFFFAOYSA-N","356138",NA,"PDBC18674","611228","Present"
-"3,4-Dimethoxy benzylidene pinacolone","","","","","","","","","","","","","","","","","","","","3,4-Dimethoxy benzylidene pinacolone","","CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)OC)OC","DUOQAPIZFRFCLJ-VQHVLOKHSA-N","6257227",NA,"PDBC18675","643173","Present"
-"3,4-Dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide","","","","","","","","","","","","","","","","","","","","3,4-Dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide","","COC1=CC(=CC(=C1OC)NC(=O)C=CC2=CC=CC=C2)C(=O)N","TYNYUKVEHJDHSQ-CMDGGOBGSA-N","5472389",NA,"PDBC18676","718304","Present"
-"3,4-Dimethoxy-N'-(methylsulfonyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","3,4-Dimethoxy-N'-(methylsulfonyl)benzenesulfonohydrazide","","COC1=C(C=C(C=C1)S(=O)(=O)NNS(=O)(=O)C)OC","WAUWNJCSMPTGTL-UHFFFAOYSA-N","368838",NA,"PDBC18677","640163","Present"
-"3,4-Dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide","","","","","","","","","","","","","","","","","","","","3,4-Dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide","","COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)C=CC3=CC=CC=C3","CMPPFKJTLMRARR-NTEUORMPSA-N","5472388",NA,"PDBC18678","718303","Present"
-"3,4-Dimethoxy-beta-methyl-beta-nitrostyrene","","","","","","","","","","","","","","","","","","","","NSC243016","","CC(=CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-]","JGFBGRHDJMANRR-SOFGYWHQSA-N","636709",NA,"PDBC18679","243016","Present"
-"3,4-Dimethoxychalcone","","","","","","","","","","","","","","","","","","","","NSC11868///3,4-Dimethoxy benzylidene acetophenone","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2)OC","LSHZPTCZLWATBZ-CSKARUKUSA-N","5354494",NA,"PDBC18680","11868///643172","Present"
-"3,4-Dimethoxycinnamyl acetate","","","","","","","","","","","","","","","","","","","","bmse010090","","CC(=O)OCC=CC1=CC(=C(C=C1)OC)OC","MVLZLHBOBVWBQS-SNAWJCMRSA-N","5387771",NA,"PDBC18681","626951","Present"
-"3,4-Dimethoxycinnamyl alcohol","","","","","","","","","","","","","","","","","","","","bmse010077","","COC1=C(C=C(C=C1)C=CCO)OC","OYICGYUCCHVYRR-ONEGZZNKSA-N","5387770",NA,"PDBC18682","626950","Present"
-"3,4-Dimethyl-1,7-dioxa-benzo[c]fluoren-2-one","","","","","","","","","","","","","","","","","","","","2H-Benzofuro[2,3-h][1]benzopyran-2-one, 3,4-dimethyl-","","CC1=C(C(=O)OC2=C1C=CC3=C2C4=CC=CC=C4O3)C","KSQINUQCATZCAZ-UHFFFAOYSA-N","371326",NA,"PDBC18683","645430","Present"
-"3,4-Dimethyl-1-thiaspiro[5.5]undec-3-en-7-one 1-oxide","","","","","","","","","","","","","","","","","","","","3,4-Dimethyl-1-thiaspiro[5.5]undec-3-en-7-one 1-oxide","","CC1=C(CS(=O)C2(C1)CCCCC2=O)C","HMFUWQKBVRLNAZ-UHFFFAOYSA-N","365164",NA,"PDBC18684","632303","Present"
-"3,4-Dimethyl-2,2,5-triphenyl-1-oxa-3-aza-2-boranuidacyclopentane","","","","","","","","","","","","","","","","","","","","3,4-Dimethyl-2,2,5-triphenyl-1-oxa-3-aza-2-boranuidacyclopentane","","","","",NA,"PDBC18685","667868","Present"
-"3,4-Dimethyl-5-methylsulfanyl-1-phenylpyrazole","","","","","","","","","","","","","","","","","","","","3,4-Dimethyl-5-methylsulfanyl-1-phenylpyrazole","","CC1=C(N(N=C1C)C2=CC=CC=C2)SC","AZKUMKIWHVOOLL-UHFFFAOYSA-N","358969",NA,"PDBC18686","619162","Present"
-"3,4-Dimethyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one","","","","","","","","","","","","","","","","","","","","3,4-Dimethyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one","","CC1=C(C(=O)OC2=C1C=CC(=C2)OCC=C3CCC(=O)O3)C","IOXBPFJQCJOPHO-KPKJPENVSA-N","24205385",NA,"PDBC18687","735337","Present"
-"3,4-Dimethyl-8,10-di-tert-butyl-1-thiaspiro[5.5]undeca-3,7,10-trien-9-one","","","","","","","","","","","","","","","","","","","","3,4-Dimethyl-8,10-di-tert-butyl-1-thiaspiro[5.5]undeca-3,7,10-trien-9-one","","CC1=C(CSC2(C1)C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C","VPKRLALJBOZADQ-UHFFFAOYSA-N","403532",NA,"PDBC18688","718548","Present"
-"3,4-Dimethylbenzo[g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","3,4-Dimethylbenzo[g]quinoline-4,10-dione","","CC1=CN=C2C(=C1C)C(=O)C3=CC=CC=C3C2=O","MXDHBCCAQVBBFF-UHFFFAOYSA-N","389971",NA,"PDBC18689","686748","Present"
-"3,4-Dimethylpyrazolo[5,1-c][1,2,4]triazine","","","","","","","","","","","","","","","","","","","","3,4-Dimethylpyrazolo[3,2-c]-as-triazine","","CC1=C(N2C(=CC=N2)N=N1)C","JHCGJBGPFZGLDQ-UHFFFAOYSA-N","271622",NA,"PDBC18690","115526","Present"
-"3,4-Diphenyl-1-(2-phenylhydrazino)-1,2-diazetidine","","","","","","","","","","","","","","","","","","","","3,4-Diphenyl-1-(2-phenylhydrazino)-1,2-diazetidine","","C1=CC=C(C=C1)C2C(N(N2)NNC3=CC=CC=C3)C4=CC=CC=C4","UEVZHRAFNXLDOE-UHFFFAOYSA-N","391900",NA,"PDBC18691","691581","Present"
-"3,4-Diphenylthiophene 1,1-dioxide","","","","","","","","","","","","","","","","","","","","Thiophene, 3,4-diphenyl-, 1,1-dioxide","","C1=CC=C(C=C1)C2=CS(=O)(=O)C=C2C3=CC=CC=C3","MAJKMBHWXWUJOH-UHFFFAOYSA-N","286726",NA,"PDBC18692","145830","Present"
-"3,4-Ditert-butylcyclobut-3-ene-1,2-dione","","","","","","","","","","","","","","","","","","","","AN-967/15490021","","CC(C)(C)C1=C(C(=O)C1=O)C(C)(C)C","NJXACQUMLRHVDZ-UHFFFAOYSA-N","389285",NA,"PDBC18693","685038","Present"
-"3,4-Methylenedioxy-alpha-benzoyl cinnamonitrile","","","","","","","","","","","","","","","","","","","","3,4-Methylenedioxy-.alpha.-benzoyl cinnamonitrile","","C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)C3=CC=CC=C3","FXLUHVPJUVHQOR-ZSOIEALJSA-N","7807804",NA,"PDBC18694","643167","Present"
-"3,4-Thiophenedimethanol, 2,5-di-1-naphthalenyl-","","","","","","","","","","","","","","","","","","","","3,4-Thiophenedimethanol, 2,5-di-1-naphthalenyl-","","C1=CC=C2C(=C1)C=CC=C2C3=C(C(=C(S3)C4=CC=CC5=CC=CC=C54)CO)CO","CQNJBHKFCBTDRH-UHFFFAOYSA-N","363306",NA,"PDBC18695","628125","Present"
-"3,4-c']bis[1,2,5]thiadiazole","","","","","","","","","","","","","","","","","","","","3,4-c']bis[1,2,5]thiadiazole","","CN1CCN(CC1)C2=CC3=NSN=C3C4=NSN=C24","OYFVVUBBSAJXEW-UHFFFAOYSA-N","378579",NA,"PDBC18696","661219","Present"
-"3,4-d]Pyridazin-7(6H)-one","","","","","","","","","","","","","","","","","","","","3,4-diphenylisoxazolo[3,4-d]pyridazin-7(6H)-one","","C1=CC=C(C=C1)C2=C3C(=NNC(=O)C3=NO2)C4=CC=CC=C4","AZCISMTZBICDFR-UHFFFAOYSA-N","54613569",NA,"PDBC18697","749505","Present"
-"3,4-dithenoyl-1,2,5-oxadiazole-N2-oxide","","","","","","","","","","","","","","","","","","","","3,4-dithenoyl-1,2,5-oxadiazole-N2-oxide","","C1=CSC(=C1)C2=[N+](ONC2C(=O)C3=CC=CS3)[O-]","UHIJPASBKABNDY-UHFFFAOYSA-N","333142",NA,"PDBC18698","333205","Present"
-"3,4=Dihydroxy-N(2'-methoxybenzyl)cinnamide","","","","","","","","","","","","","","","","","","","","3,4=Dihydroxy-N(2'-methoxybenzyl)cinnamide","","COC1=CC=CC=C1CNC(=O)C=CC2=CC(=C(C=C2)O)O","MBFUFMRRDBQDEW-VQHVLOKHSA-N","24205447",NA,"PDBC18699","735778","Present"
-"3,5'-Dicyanoindolyl)methane","","","","","","","","","","","","","","","","","","","","3,3'-di(5,5'-dicyanoindolyl)methane","","C1=CC2=C(C=C1C#N)C(=CN2)CC3=CNC4=C3C=C(C=C4)C#N","DMWCFGOCMUGPDE-UHFFFAOYSA-N","24205051",NA,"PDBC18700","734101","Present"
-"3,5,10,12,15,17,22,24,27,29,34,36-Dodecabutyl-7,8,19,20,31,32-hexathia-3,5,10,12,15,17,22,24,27,29,34,36-dodecazaheptacyclo[31.3.0.02,6.09,13.014,18.021,25.026,30]hexatriaconta-1(33),2(6),9(13),14(18),21(25),26(30)-hexaene-4,11,16,23,28,35-hexathione","","","","","","","","","","","","","","","","","","","","3,5,10,12,15,17,22,24,27,29,34,36-Dodecabutyl-7,8,19,20,31,32-hexathia-3,5,10,12,15,17,22,24,27,29,34,36-dodecazaheptacyclo[31.3.0.02,6.09,13.014,18.021,25.026,30]hexatriaconta-1(33),2(6),9(13),14(18)","","CCCCN1C2=C(N(C1=S)CCCC)SSC3=C(C4=C(N(C(=S)N4CCCC)CCCC)SSC5=C(C6=C(N(C(=S)N6CCCC)CCCC)SSC7=C2N(C(=S)N7CCCC)CCCC)N(C(=S)N5CCCC)CCCC)N(C(=S)N3CCCC)CCCC","VDULWHKCIXXQDU-UHFFFAOYSA-N","397158",NA,"PDBC18701","704561","Present"
-"3,5,3',5'-Tetrabromobenzidine","","","","","","","","","","","","","","","","","","","","3,5,3',5'-Tetrabromobenzidine","","C1=C(C=C(C(=C1Br)N)Br)C2=CC(=C(C(=C2)Br)N)Br","XSSHPNOMIXIEKR-UHFFFAOYSA-N","383754",NA,"PDBC18702","672196","Present"
-"3,5,5-Trimethyl-6-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-2-cyclohexen-1-one oxime","","","","","","","","","","","","","","","","","","","","3,5,5-Trimethyl-6-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-2-cyclohexen-1-one oxime","","CC1=CC(=NO)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O","VAWMOPSDUFOXJN-FBCYGCLPSA-N","9571421",NA,"PDBC18703","659241","Present"
-"3,5,6,10b,11,12-Hexahydropyrrolo[3',4':5,6]pyrido[2,1-a]isoquinolin-1(2H)-one","","","","","","","","","","","","","","","","","","","","3,5,6,10b,11,12-Hexahydropyrrolo[3',4':5,6]pyrido[2,1-a]isoquinolin-1(2H)-one","","C1CC2=C(CNC2=O)N3C1C4=CC=CC=C4CC3","QKZUKVPKPXYYLF-UHFFFAOYSA-N","374531",NA,"PDBC18704","652281","Present"
-"3,5,6,6a-Tetrahydrocyclopenta[b]furan-2-one","","","","","","","","","","","","","","","","","","","","3,5,6,6a-Tetrahydrocyclopenta[b]furan-2-one","","C1CC2C(=C1)CC(=O)O2","UBZBTIIUSORUOZ-UHFFFAOYSA-N","359540",NA,"PDBC18705","620523","Present"
-"3,5,6-Trimethyl-2H-indazole-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","3,5,6-Trimethyl-2H-indazole-7-carboxylic acid","","CC1=CC2=C(NN=C2C(=C1C)C(=O)O)C","LDVTWCHYRKMRQT-UHFFFAOYSA-N","360070",NA,"PDBC18706","621868","Present"
-"3,5,6-Triphenyl-3,4-diazabicyclo[4.2.0]oct-4-ene-7,8-dicarbonitrile","","","","","","","","","","","","","","","","","","","","3,5,6-Triphenyl-3,4-diazabicyclo[4.2.0]oct-4-ene-7,8-dicarbonitrile","","C1C2C(C(C2(C(=NN1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)C#N","GNERHPWFZMFBRY-UHFFFAOYSA-N","318577",NA,"PDBC18707","255298","Present"
-"3,5,7-Triaza-1-azoniaadamantane, 1-(2-thienyl)-, chloride","","","","","","","","","","","","","","","","","","","","Hexamethylenetetramine, compd. with thiophene, 2-(chloro...","","C1N2CN3CN1C[N+](C2)(C3)CC4=CC=CS4.[Cl-]","JTQYWCBXUPIISX-UHFFFAOYSA-M","22730",NA,"PDBC18708","49660","Present"
-"3,5,7-Trimethyl-1-(oxan-2-ylmethoxy)-6-phenylpyrrolo[3,4-d]pyridazin-4-one","","","","","","","","","","","","","","","","","","","","3,5,7-Trimethyl-1-(oxan-2-ylmethoxy)-6-phenylpyrrolo[3,4-d]pyridazin-4-one","","CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(N=C2OCC4CCCCO4)C","XNMSDAOXPBMREX-UHFFFAOYSA-N","401033",NA,"PDBC18709","713738","Present"
-"3,5,7-Trimethyl-6-phenyl-1-(2-piperidin-1-ylethoxy)pyrrolo[3,4-d]pyridazin-4-one","","","","","","","","","","","","","","","","","","","","2,5,7-Trimethyl-6-phenyl-4-(2-piperidin-1-ylethoxy)-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-1-one","","CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(N=C2OCCN4CCCCC4)C","XCTPOBATSCACNH-UHFFFAOYSA-N","401032",NA,"PDBC18710","713737","Present"
-"3,5,7-Trimethyl-6-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrrolo[3,4-d]pyridazin-4-one","","","","","","","","","","","","","","","","","","","","3,5,7-Trimethyl-6-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrrolo[3,4-d]pyridazin-4-one","","CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(N=C2OCCCCN4CCN(CC4)C5=NC=CC=N5)C","GHMDPEPBXWRLFP-UHFFFAOYSA-N","401031",NA,"PDBC18711","713736","Present"
-"3,5,7-Triphenylisoxazolo[3,4-d]pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","3,5,7-Triphenyl-isoxazolo(3,4-d)pyrimidin-4,6-dione","","C1=CC=C(C=C1)C2=C3C(=NO2)N(C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","IBZGFPOVRGHHMD-UHFFFAOYSA-N","387469",NA,"PDBC18712","681273","Present"
-"3,5,7-Tris(triphenylgermyl)tricyclo[2.2.1.0~2,6~]heptaphosphane","","","","","","","","","","","","","","","","","","","","1,2,3,4,5,6,7-Heptaphosphatricyclo[2.2.1.02,6]heptane;triphenylgermanium","","C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)C3=CC=CC=C3.P1P2PP3P1P3P2","MCSQFBPQUWMEPV-UHFFFAOYSA-N","15954124",NA,"PDBC18713","625768","Present"
-"3,5-Bis((dimethylamino)methyl)-1,2-benzenediol","","","","","","","","","","","","","","","","","","","","A812615","","CN(C)CC1=CC(=C(C(=C1)O)O)CN(C)C","GRBCQHDFWCSCPX-UHFFFAOYSA-N","236602",NA,"PDBC18714","39225","Present"
-"3,5-Bis((dimethylamino)methyl)-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","3,5-Bis((dimethylamino)methyl)-1,3,5-thiadiazinane-2-thione","","CN(C)CN1CN(C(=S)SC1)CN(C)C","ZFFHIQSKKULCPN-UHFFFAOYSA-N","225323",NA,"PDBC18715","14543","Present"
-"3,5-Bis((dimethylamino)methyl)-4-hydroxybenzoic acid","","","","","","","","","","","","","","","","","","","","3,5-Bis((dimethylamino)methyl)-4-hydroxybenzoic acid","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)O","YGQVYFAHDYFWHO-UHFFFAOYSA-N","236265",NA,"PDBC18716","38528","Present"
-"3,5-Bis(1H-indole-3-yl)pyrazine-2(1H)-one","","","","","","","","","","","","","","","","","","","","3,5-Bis(1H-indole-3-yl)pyrazine-2(1H)-one","","C1=CC=C2C(=C1)C(=CN2)C3=CNC(=O)C(=N3)C4=CNC5=CC=CC=C54","HWPGSZCQPDZPOZ-UHFFFAOYSA-N","396514",NA,"PDBC18717","702754","Present"
-"3,5-Bis(2-thienyl)-2-(3-thienyl)thiophene","","","","","","","","","","","","","","","","","","","","3,5-Bis(2-thienyl)-2-(3-thienyl)thiophene","","C1=CSC(=C1)C2=CC(=C(S2)C3=CSC=C3)C4=CC=CS4","ZXIVSJHHNZJIKP-UHFFFAOYSA-N","376715",NA,"PDBC18718","657761","Present"
-"3,5-Bis(2-thienylmethylene)-1-methylpiperidine-4-one","","","","","","","","","","","","","","","","","","","","NSC706209","","CN1CC(=CC2=CC=CS2)C(=O)C(=CC3=CC=CS3)C1","PLOKQQNJVRLWES-QHKWOANTSA-N","1564138",NA,"PDBC18719","706209","Present"
-"3,5-Bis(3,4-dichlorobenzylidene)-1-acryloylpiperidin-4-one","","","","","","","","","","","","","","","","","","","","NSC638644","","C=CC(=O)N1CC(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)C1","FBZOBWNZGBPYHT-BGPOSVGRSA-N","5388807",NA,"PDBC18720","638644","Present"
-"3,5-Bis(3,4-dichlorobenzylidene)piperidin-4-one","","","","","","","","","","","","","","","","","","","","3-Piperidinone, 3,5-bis[(3,4-dichlorophenyl)methylene]-","","C1C(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)CN1","GJPXGFGIFQWUOC-ACFHMISVSA-N","5388806",NA,"PDBC18721","638643","Present"
-"3,5-Bis(4-bromophenyl)-1-phenyl-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3,5-Bis(4-bromophenyl)-1-phenyl-1,2,4-triazole","","C1=CC=C(C=C1)N2C(=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br","HKDVNJUSVLHBGM-UHFFFAOYSA-N","394811",NA,"PDBC18722","698613","Present"
-"3,5-Bis(4-chlorobenzylidene)tetrahydro-2H-thiopyran-4-one","","","","","","","","","","","","","","","","","","","","NSC670051","","C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CS1","NUUZUMOYGRIQFX-KAVGSWPWSA-N","5907223",NA,"PDBC18723","670051","Present"
-"3,5-Bis(4-chlorophenyl)-1,2,4-dithiazol-2-ium;iodide","","","","","","","","","","","","","","","","","","","","3,5-Bis(4-chlorophenyl)-1,2,4-dithiazol-2-ium;iodide","","C1=CC(=CC=C1C2=NC(=[S+]S2)C3=CC=C(C=C3)Cl)Cl.[I-]","ISZLZDPINBIDBV-UHFFFAOYSA-M","403928",NA,"PDBC18724","719677","Present"
-"3,5-Bis(4-hydroxy-4-methoxybenzylidene)-N-propyl-4-piperidon e","","","","","","","","","","","","","","","","","","","","3,5-Bis(4-hydroxy-4-methoxybenzylidene)-N-propyl-4-piper...","","CCCN1CC(=CC2=CC(=C(C=C2)O)OC)C(=O)C(=CC3=CC(=C(C=C3)O)OC)C1","QEQQLTXYPHXCKT-XOBNHNQQSA-N","2053069",NA,"PDBC18725","721132","Present"
-"3,5-Bis(4-imino-4,5-dihydro-1,2,5-oxadiazol-3-yl)-1,2,4lambda~5~-oxadiazol-4-ol","","","","","","","","","","","","","","","","","","","","3,5-Bis(4-imino-4,5-dihydro-1,2,5-oxadiazol-3-yl)-1,2,4lambda~5~-oxadiazol-4-ol","","C1(=NON=C1N)C2=NOC(=[N+]2[O-])C3=NON=C3N","OGJKQPAPWIJCOB-UHFFFAOYSA-N","394432",NA,"PDBC18726","697884","Present"
-"3,5-Bis(4-methoxyphenyl)-1-phenyl-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3,5-Bis(4-methoxyphenyl)-1-phenyl-1,2,4-triazole","","COC1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4","KFGLAEHVEFYEOK-UHFFFAOYSA-N","394813",NA,"PDBC18727","698615","Present"
-"3,5-Bis(4-methoxyphenyl)-4H-isoxazol-5-amine","","","","","","","","","","","","","","","","","","","","3,5-Bis(4-methoxyphenyl)-4H-isoxazol-5-amine","","COC1=CC=C(C=C1)C2=NOC(C2)(C3=CC=C(C=C3)OC)N","BIHQFPNJOBFAJC-UHFFFAOYSA-N","393587",NA,"PDBC18728","695658","Present"
-"3,5-Bis(benzenesulfonyl)-1-methyl-2-phenylpiperidine","","","","","","","","","","","","","","","","","","","","1-Methyl-2-phenyl-3,5-bis(phenylsulfonyl)piperidine","","CN1CC(CC(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","KEBDFLXGIMDMGQ-UHFFFAOYSA-N","400850",NA,"PDBC18729","713375","Present"
-"3,5-Bis(benzylidene)piperidin-4-ol","","","","","","","","","","","","","","","","","","","","NSC636674","","C1C(=CC2=CC=CC=C2)C(C(=CC3=CC=CC=C3)CN1)O","ZYPHMHISTJAFFJ-JYFOCSDGSA-N","5388497",NA,"PDBC18730","636674","Present"
-"3,5-Bis(methylsulfanyl)-4-phenyldithiol-1-ium;iodide","","","","","","","","","","","","","","","","","","","","NSC137044","","CSC1=C(C(=[S+]S1)SC)C2=CC=CC=C2.[I-]","PPIARYVAVAKYJC-UHFFFAOYSA-M","2800736",NA,"PDBC18731","137044","Present"
-"3,5-Bis(methylsulfanyl)dithiol-1-ium-4-ol","","","","","","","","","","","","","","","","","","","","3,5-Bis(methylsulfanyl)dithiol-1-ium-4-olate","","CSC1=C(C(=[S+]S1)SC)[O-]","AMSLVAGKYMPJGI-UHFFFAOYSA-N","362515",NA,"PDBC18732","626539","Present"
-"3,5-Bis(phenylsulfonyl)-3,6-dihydro-2H-pyran","","","","","","","","","","","","","","","","","","","","3,5-Bis(phenylsulfonyl)-3,6-dihydro-2H-pyran","","C1C(C=C(CO1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","IUGGSBVJLLQNOV-UHFFFAOYSA-N","361139",NA,"PDBC18733","623971","Present"
-"3,5-Bis(trifluoromethyl)-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","3,5-bis(trifluoromethyl)-N-(4-(3,4,5-trimethoxyphenyl)th...","","COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","BMUXSABZEQWABF-UHFFFAOYSA-N","155810236",NA,"PDBC18734","786084","Present"
-"3,5-Bis-(2'-thienyl)-pyrrol","","","","","","","","","","","","","","","","","","","","3,5'-diformyl-2,5-bis-(2'-thienyl)-pyrrol","","C1=CSC(=C1)C2=C(C=C(N2)C3=CC=C(S3)C=O)C=O","KVJCQPBWIHKPND-UHFFFAOYSA-N","396573",NA,"PDBC18735","703062","Present"
-"3,5-Bis[(E)-2-(2-chlorophenyl)ethenyl]-1,2,4-thiadiazole","","","","","","","","","","","","","","","","","","","","3,5-Bis[(E)-2-(2-chlorophenyl)ethenyl]-1,2,4-thiadiazole","","C1=CC=C(C(=C1)C=CC2=NSC(=N2)C=CC3=CC=CC=C3Cl)Cl","IJEXRKUJUYAVJY-WGDLNXRISA-N","5471100",NA,"PDBC18736","708449","Present"
-"3,5-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-N-(4-methylphenyl)pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3,5-bis(4-hydroxy-3-methoxystyryl)-N-(4-methylphenyl)-1H...","","CC1=CC=C(C=C1)NC(=O)N2C(=CC(=N2)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC","AICWVPUWQRFZDN-PWHKKFIBSA-N","155815984",NA,"PDBC18737","763373","Present"
-"3,5-Bis[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-thiadiazole","","","","","","","","","","","","","","","","","","","","3,5-Bis[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-thiadiazole","","COC1=CC=C(C=C1)C=CC2=NSC(=N2)C=CC3=CC=C(C=C3)OC","IBWHIMRWWXHIFU-FNCQTZNRSA-N","5471099",NA,"PDBC18738","708448","Present"
-"3,5-Bis[4-(dimethylamino)benzylidene]-4-oxopiperidine-1-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","3,5-Bis[4-(dimethylamino)benzylidene]-4-oxopiperidine-1-carboxylic acid ethyl ester","","CCOC(=O)N1CC(=CC2=CC=C(C=C2)N(C)C)C(=O)C(=CC3=CC=C(C=C3)N(C)C)C1","HOAKJJGMYDFZRN-YHARCJFQSA-N","5387105",NA,"PDBC18739","620460","Present"
-"3,5-Bis[4-(dimethylamino)benzylidene]piperidin-4-one","","","","","","","","","","","","","","","","","","","","3,5-Bis[4-(dimethylamino)benzylidene]piperidin-4-one","","CN(C)C1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)N(C)C)C2=O","PQXIGFCAMSKVHL-IWGRKNQJSA-N","5387024",NA,"PDBC18740","619904","Present"
-"3,5-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile","","","","","","","","","","","","","","","","","","","","3,5-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile","","CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC(=C3)C#N)C4=NN=C(O4)C5=CC=C(C=C5)C(C)(C)C","DYWOLUNDCJMYNF-UHFFFAOYSA-N","395140",NA,"PDBC18741","699431","Present"
-"3,5-Di(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole","","","","","","","","","","","","","","","","","","","","3,5-Di(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole","","C1C(N(N=C1C2=CC=CO2)C3=CC=CC=C3)C4=CC=CO4","SDXIQGSOAFXCLC-UHFFFAOYSA-N","376137",NA,"PDBC18742","656630","Present"
-"3,5-Di(5-hexenyl)pyrrolizidine","","","","","","","","","","","","","","","","","","","","3,5-Di(5-hexenyl)pyrrolizidine","","C=CCCCCC1CCC2N1C(CC2)CCCCC=C","ALDGBHHVYHPHIJ-UHFFFAOYSA-N","370506",NA,"PDBC18743","643727","Present"
-"3,5-Di(cyclododecyl)-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","3,5-Dicyclododecyl-1,3,5-thiadiazinane-2-thione","","C1CCCCCC(CCCCC1)N2CN(C(=S)SC2)C3CCCCCCCCCCC3","CJFAIXBNZPIDFS-UHFFFAOYSA-N","308396",NA,"PDBC18744","209910","Present"
-"3,5-Di-tert-butyl-5-methoxy-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide","","","","","","","","","","","","","","","","","","","","3,5-Di-tert-butyl-5-methoxy-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide","","CC(C)(C)C1=CC(OP1(=O)O)(C(C)(C)C)OC","DDEXGUAPNVKCGP-UHFFFAOYSA-N","380879",NA,"PDBC18745","666663","Present"
-"3,5-Di-tert-butylcatechol","","","","","","","","","","","","","","","","","","","","3,5-di-t-butylcatechol","","CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C","PJZLSMMERMMQBJ-UHFFFAOYSA-N","66099",NA,"PDBC18746","59767","Present"
-"3,5-Diamino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3,5-diamino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide","","C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)N3C4=C(C=C(C=C4)N)C(=N3)N","ZNDPIOYAEWRJHZ-UHFFFAOYSA-N","51033079",NA,"PDBC18747","749553","Present"
-"3,5-Diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),5,9,11,13,15,17,19-octaene-4-thione","","","","","","","","","","","","","","","","","","","","3,5-Diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),5,9,11,13,15,17,19-octaene-4-thione","","C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C3NC(=S)N=C5","VQHLPXUCLDCKEW-UHFFFAOYSA-N","3004458",NA,"PDBC18748","656747","Present"
-"3,5-Dibenzoyl-1-methyl-2(1H)-pyridinone","","","","","","","","","","","","","","","","","","","","3,5-Dibenzoyl-1-methyl-2(1H)-pyridinone","","CN1C=C(C=C(C1=O)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","ZLIDGOQBQNBBKL-UHFFFAOYSA-N","370866",NA,"PDBC18749","644599","Present"
-"3,5-Dibenzylidene-1-acryloylpiperidin-4-one","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 1-(1-oxo-2-propenyl)-3,5-bis(phenyl- met...","","C=CC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","FYXRGLSUYBQDPY-IWGRKNQJSA-N","5351364",NA,"PDBC18750","632841","Present"
-"3,5-Dibromo-2-((4-(2,4-dibromo-6-carboxyphenoxy)-2-(2-(2,4-dibromo-6-carboxyphenoxy)-2-oxoethyl)-4-oxobutanoyl)oxy)benzoic acid","","","","","","","","","","","","","","","","","","","","3,5-Dibromo-2-[5-(2,4-dibromo-6-carboxyphenoxy)-3-(2,4-dibromo-6-carboxyphenoxy)carbonyl-5-oxopentanoyl]oxybenzoic acid","","C1=C(C=C(C(=C1C(=O)O)OC(=O)CC(CC(=O)OC2=C(C=C(C=C2Br)Br)C(=O)O)C(=O)OC3=C(C=C(C=C3Br)Br)C(=O)O)Br)Br","ZOWYDMLEWWNBIV-UHFFFAOYSA-N","375451",NA,"PDBC18751","655183","Present"
-"3,5-Dibromo-2-chloro-4-isothiocyanatosalicylanilide","","","","","","","","","","","","","","","","","","","","Compound 77-6","","C1=CC(=C(C=C1N=C=S)Cl)NC(=O)C2=C(C(=CC(=C2)Br)Br)O","HIJLHRKFBDDOIL-UHFFFAOYSA-N","175110",NA,"PDBC18752","293061","Present"
-"3,5-Dibromo-2-hydroxy-4-methoxybenzeneacetamide","","","","","","","","","","","","","","","","","","","","2-(3,5-Dibromo-2-hydroxy-4-methoxyphenyl)acetamide","","COC1=C(C=C(C(=C1Br)O)CC(=O)N)Br","HYSCKVWJOHVFAE-UHFFFAOYSA-N","360190",NA,"PDBC18753","622162","Present"
-"3,5-Dibromo-4-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","3,5-Dibromo-4-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]benzenesulfonamide","","C1=CC2=C(C=CC(=C2N=C1)O)N=NC3=C(C=C(C=C3Br)S(=O)(=O)N)Br","LYDXIMLSHYTFLA-UHFFFAOYSA-N","271001",NA,"PDBC18754","114381","Present"
-"3,5-Dibromo-N'-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","salicylic acid, 3,5-dibromo-,(antipyrinylmethylene)hydra...","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=C(C(=CC(=C3)Br)Br)O","MCHSUKWGSALGLY-LSHDLFTRSA-N","9571390",NA,"PDBC18755","651704","Present"
-"3,5-Dibromotyrosine","","","","","","","","","","","","","","","","","","","","biotiren","","C1=C(C=C(C(=C1Br)O)Br)CC(C(=O)O)N","COESHZUDRKCEPA-UHFFFAOYSA-N","10833",NA,"PDBC18756","210786","Present"
-"3,5-Dichloro-2-(3-fluoroazulen-1-yl)pyridine","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-2-(3-fluoroazulen-1-yl)pyridine","","C1=CC=C2C(=C(C=C2C3=C(C=C(C=N3)Cl)Cl)F)C=C1","KDXMUIFUWBJWFQ-UHFFFAOYSA-N","394238",NA,"PDBC18757","697567","Present"
-"3,5-Dichloro-2-hydroxybenzenesulfinic acid","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-2-hydroxybenzenesulfinic acid","","C1=C(C=C(C(=C1S(=O)O)O)Cl)Cl","ADJSUQLUCKLDME-UHFFFAOYSA-N","361227",NA,"PDBC18758","624184","Present"
-"3,5-Dichloro-4,6-dimethoxy-2-pyridinecarboxylic acid","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-4,6-dimethoxypicolinic acid","","COC1=C(C(=NC(=C1Cl)OC)C(=O)O)Cl","NSTOCIMDXNJPDO-UHFFFAOYSA-N","372824",NA,"PDBC18759","648486","Present"
-"3,5-Dichloro-4-((triphenylphosphoranylidene)amino)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-4-((triphenylphosphoranylidene)amino)-2(5H)-furanone","","C1=CC=C(C=C1)P(=NC2=C(C(=O)OC2Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4","OMEPAWCLCAUPJN-UHFFFAOYSA-N","372730",NA,"PDBC18760","648321","Present"
-"3,5-Dichloro-4-[3-(3,4-dichlorophenylcarbamoyl)thioureido]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-4-[3-(3,4-dichlorophenylcarbamoyl)thioureido]benzenesulfonamide","","C1=CC(=C(C=C1NC(=O)NC(=S)NC2=C(C=C(C=C2Cl)S(=O)(=O)N)Cl)Cl)Cl","IGMGXAZDAFZRLD-UHFFFAOYSA-N","5471307",NA,"PDBC18761","710330","Present"
-"3,5-Dichloro-4-hydroxybenzenesulfinic acid","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-4-hydroxybenzenesulfinic acid","","C1=C(C=C(C(=C1Cl)O)Cl)S(=O)O","XNBXXDJLLSQLKA-UHFFFAOYSA-N","361231",NA,"PDBC18762","624188","Present"
-"3,5-Dichloro-4-ureidobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","(2,6-dichloro-4-sulfamoyl-phenyl)urea","","C1=C(C=C(C(=C1Cl)NC(=O)N)Cl)S(=O)(=O)N","YAWHCILZNKPGCJ-UHFFFAOYSA-N","396511",NA,"PDBC18763","702696","Present"
-"3,5-Dichloro-4H-1,2,6-thiadiazin-4-one","","","","","","","","","","","","","","","","","","","","EH00008","","C1(=O)C(=NSN=C1Cl)Cl","ZKHPZXACANWNKQ-UHFFFAOYSA-N","354026",NA,"PDBC18764","603974","Present"
-"3,5-Dichloro-6,6-dimethyl-2-oxocanone","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-6,6-dimethyl-2-oxocanone","","CC1(CCOC(=O)C(CC1Cl)Cl)C","ALJOJUWYOAXJJJ-UHFFFAOYSA-N","381176",NA,"PDBC18765","667506","Present"
-"3,5-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline","","CC(=NC1=CC(=CC(=C1)Cl)Cl)C2=CC=NC=C2","CSOOXWOHNIBLNL-UHFFFAOYSA-N","383458",NA,"PDBC18766","671844","Present"
-"3,5-Dichloro-N-(3-((3,5-dichlorophenyl)imino)-1-propenyl)aniline","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-N-(3-((3,5-dichlorophenyl)imino)-1-propenyl)aniline","","C1=C(C=C(C=C1Cl)Cl)NC=CC=NC2=CC(=CC(=C2)Cl)Cl","WCKYYJKBGZSGCJ-AICBQUQRSA-N","6163489",NA,"PDBC18767","676471","Present"
-"3,5-Dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide","","","","","","","","","","","","","","","","","","","","3,5-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyrid...","","C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)Cl)Cl)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","LGBCAFYBTJLRNT-UHFFFAOYSA-N","56935331",NA,"PDBC18768","753190","Present"
-"3,5-Dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide","","","","","","","","","","","","","","","","","","","","3,5-dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyrid...","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)Cl)Cl)Cl","INMVLMGVGSFTNT-UHFFFAOYSA-N","56935209",NA,"PDBC18769","753189","Present"
-"3,5-Dichloro-N-[(3,5-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-N-[(3,5-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","C1=CC(=CN=C1)CN(C(=O)C2=CC(=CC(=C2)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC(=CC(=C4)Cl)Cl","FNSGPGIJERUJHD-UHFFFAOYSA-N","401370",NA,"PDBC18770","714682","Present"
-"3,5-Dichloro-N-[1-(4-pyridyl)ethyl]aniline","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-N-[1-(4-pyridyl)ethyl]aniline","","CC(C1=CC=NC=C1)NC2=CC(=CC(=C2)Cl)Cl","LWNFVBOGQISNQB-UHFFFAOYSA-N","383453",NA,"PDBC18771","671839","Present"
-"3,5-Dichloro-N-[1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-N-[1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide","","CCCCCCCCCCCCOC1C2C(OC1C(CC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)NS(=O)(=O)C5=CC(=CC(=C5)Cl)Cl)OC(O2)(C)C","BSPYSXRTXFXINB-UHFFFAOYSA-N","45028445",NA,"PDBC18772","742859","Present"
-"3,5-Diethylpyrazolium-trans-[tetrachlorobis(3,5-diethyl-...","","","","","","","","","","","","","","","","","","","","3,5-Diethylpyrazolium-trans-[tetrachlorobis(3,5-diethyl-...","","","","",NA,"PDBC18773","632618","Present"
-"3,5-Dihydro-2H-benzo[i][1,5]benzothiazepine-4-thione","","","","","","","","","","","","","","","","","","","","3,5-Dihydro-2H-benzo[i][1,5]benzothiazepine-4-thione","","C1CSC2=C(C=CC3=CC=CC=C32)NC1=S","WSPRARVJWWTPTP-UHFFFAOYSA-N","3005007",NA,"PDBC18774","667468","Present"
-"3,5-Dihydro-8-methoxy-4H-pyridazino(4,5-b)indol-4-one","","","","","","","","","","","","","","","","","","","","3H-Pyridazino[4,5-b]indol-4-one, 4,5-dihydro-7-methoxy-","","COC1=CC2=C(C=C1)NC3=C2C=NNC3=O","JJFRRONWXDVIDD-UHFFFAOYSA-N","135429981",NA,"PDBC18775","629657","Present"
-"3,5-Dihydrodinaphtho[2,1-c:1,2-e]thiepine","","","","","","","","","","","","","","","","","","","","13-Thiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene","","C1C2=C(C3=CC=CC=C3C=C2)C4=C(CS1)C=CC5=CC=CC=C54","OGYUAGGBMMVBML-UHFFFAOYSA-N","387863",NA,"PDBC18776","682074","Present"
-"3,5-Dihydropurine-6-thione;8-[3-(dimethylamino)propoxy]-1,3,7-trimethylpurine-2,6-dione","","","","","","","","","","","","","","","","","","","","1H-Purine-2,6-dione, 8-[3-(dimethylamino)propoxy]-3,7- d...","","CN1C2=C(N=C1OCCCN(C)C)N(C(=O)N(C2=O)C)C.C1=NC(=S)C2C(=NC=N2)N1","SHQNHQQMKUHELL-UHFFFAOYSA-N","5477848",NA,"PDBC18777","361887","Present"
-"3,5-Dihydroxy-4-(2,4,6-trihydroxybenzylidene)-2,5-cyclohexadien-1-one","","","","","","","","","","","","","","","","","","","","3,5-Dihydroxy-4-(2,4,6-trihydroxybenzylidene)-2,5-cyclohexadien-1-one","","C1=C(C=C(C(=C1O)C=C2C(=CC(=O)C=C2O)O)O)O","SZHCFCCYPWQRPX-UHFFFAOYSA-N","361651",NA,"PDBC18778","624869","Present"
-"3,5-Dimethoxy-N-(4-Methoxyphenyl)Benzamide","","","","","","","","","","","","","","","","","","","","3,5-Dimethoxy-N-(4-Methoxyphenyl)Benzamide","","COC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)OC)OC","NGIDRYCBDLWOSR-UHFFFAOYSA-N","364714",NA,"PDBC18779","631372","Present"
-"3,5-Dimethoxy-alpha-phenylcinnamonitrile","","","","","","","","","","","","","","","","","","","","3,5-Dimethoxy-.alpha.-phenylcinnamonitrile","","COC1=CC(=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC","MELXPLVGNPKXBN-OVCLIPMQSA-N","5913857",NA,"PDBC18780","643185","Present"
-"3,5-Dimethoxyamphetamine hydrochloride","","","","","","","","","","","","","","","","","","","","(S)-(+)-1-(3,5-Dimethoxybenzyl)ethylammonium chloride","","CC(CC1=CC(=CC(=C1)OC)OC)N.Cl","KGMFIIRMHHMLND-UHFFFAOYSA-N","91246",NA,"PDBC18781","660980","Present"
-"3,5-Dimethyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone","","","","","","","","","","","","","","","","","","","","3,5-Dimethyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone","","CC1C(N(C(C(C1=O)C)C2=CC=CS2)N=O)C3=CC=CS3","FKKUJOQDPUXLPP-UHFFFAOYSA-N","362608",NA,"PDBC18782","626738","Present"
-"3,5-Dimethyl-1-nitroso-2,6-diphenyl-4-piperidinone","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-dimethyl-1-nitroso-2,6-diphenyl-","","CC1C(N(C(C(C1=O)C)C2=CC=CC=C2)N=O)C3=CC=CC=C3","YUHUPQOJSQYNQE-UHFFFAOYSA-N","362605",NA,"PDBC18783","626735","Present"
-"3,5-Dimethyl-1-nitroso-2,6-diphenylpiperidin-4-one oxime","","","","","","","","","","","","","","","","","","","","3,5-Dimethyl-1-nitroso-2,6-diphenylpiperidin-4-one oxime","","CC1C(N(C(C(C1=NO)C)C2=CC=CC=C2)N=O)C3=CC=CC=C3","OKZJJNGCIWTGDK-UHFFFAOYSA-N","376286",NA,"PDBC18784","657000","Present"
-"3,5-Dimethyl-3,4-dihydro-2H-pyrimido(4,5-e)(1,3)oxazine-6,8(5H,7H)-dione","","","","","","","","","","","","","","","","","","","","2H-Pyrimido[4,5-e][1,3]oxazin-2-one, 1,6,7,8-tetrahydro-...","","CN1CC2=C(C(=O)NC(=O)N2C)OC1","MQKKBAAGUMVKAX-UHFFFAOYSA-N","265772",NA,"PDBC18785","102268","Present"
-"3,5-Dimethyl[1,1'-biphenyl]-2-yl 1-naphthylcarbamate","","","","","","","","","","","","","","","","","","","","3,5-Dimethyl[1,1'-biphenyl]-2-yl 1-naphthylcarbamate","","CC1=CC(=C(C(=C1)C2=CC=CC=C2)OC(=O)NC3=CC=CC4=CC=CC=C43)C","MBUINHZVXPNNPJ-UHFFFAOYSA-N","382570",NA,"PDBC18786","670178","Present"
-"3,5-Dimethylphenylthiourea","","","","","","","","","","","","","","","","","","","","STL353617","","CC1=CC(=CC(=C1)NC(=S)N)C","XOAYHDJRYDSPJZ-UHFFFAOYSA-N","736215",NA,"PDBC18787","637006","Present"
-"3,5-Dinitro-9H-carbazol-2-ol","","","","","","","","","","","","","","","","","","","","3,5-Dinitro-9H-carbazol-2-ol","","C1=CC2=C(C(=C1)[N+](=O)[O-])C3=CC(=C(C=C3N2)O)[N+](=O)[O-]","XXNPDSVYGMLCHO-UHFFFAOYSA-N","3833937",NA,"PDBC18788","652557","Present"
-"3,5-Dinitro-N-(4-sulfamoylphenyl)benzamide","","","","","","","","","","","","","","","","","","","","STK402119","","C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N","OADUVQZRHQQHBD-UHFFFAOYSA-N","403857",NA,"PDBC18789","719390","Present"
-"3,5-Dinitro-N-(5-propoxy-1,3-benzothiazol-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","3,5-Dinitro-N-(5-propoxy-1,3-benzothiazol-2-yl)benzamide","","CCCOC1=CC2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","RMVOEFKIZWQJAB-UHFFFAOYSA-N","404119",NA,"PDBC18790","720242","Present"
-"3,5-Dinitrobenzamide","","","","","","","","","","","","","","","","","","","","Nitromide","","C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N","UUKWKUSGGZNXGA-UHFFFAOYSA-N","4511",NA,"PDBC18791","60719","Present"
-"3,5-Dinitrobenzoyl chloride","","","","","","","","","","","","","","","","","","","","3,5-dinitrobenzoyl chloride","","C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl","NNOHXABAQAGKRZ-UHFFFAOYSA-N","7432",NA,"PDBC18792","2697","Present"
-"3,5-Dioxo-N,4-diphenyl-1,2,4-triazolidine-1-carboxamide","","","","","","","","","","","","","","","","","","","","3,5-Dioxo-N,4-diphenyl-1,2,4-triazolidine-1-carboxamide","","C1=CC=C(C=C1)NC(=O)N2C(=O)N(C(=O)N2)C3=CC=CC=C3","VYOPQSJWBHYPOC-UHFFFAOYSA-N","391645",NA,"PDBC18793","691131","Present"
-"3,5-Diphenyl-1,3-oxazol-2-one","","","","","","","","","","","","","","","","","","","","3,5-Diphenyloxazol-2-one","","C1=CC=C(C=C1)C2=CN(C(=O)O2)C3=CC=CC=C3","UITGJGFRSWHSBB-UHFFFAOYSA-N","461786",NA,"PDBC18794","619202","Present"
-"3,5-Diphenyl-7-(4-methoxyphenyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrimidine","","","","","","","","","","","","","","","","","","","","3,5-Diphenyl-7-(4-methoxyphenyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrimidine","","COC1=CC=C(C=C1)C2CC(=NC3=C(N=NN23)C4=CC=CC=C4)C5=CC=CC=C5","NWBOGYWKIXUSGS-UHFFFAOYSA-N","404634",NA,"PDBC18795","721062","Present"
-"3,5-Dipyrrolidinylphenol","","","","","","","","","","","","","","","","","","","","3,5-Dipyrrolidinylphenol","","C1CCN(C1)C2=CC(=CC(=O)C2)N3CCCC3","YCEAUXSKAJXVNA-UHFFFAOYSA-N","374548",NA,"PDBC18796","652299","Present"
-"3,5-Diyl)bis(5-chloro-1-methyl-1H-indole)","","","","","","","","","","","","","","","","","","","","3,3?-(1H-pyrrole-2,5-diyl)bis(5-chloro-1-methyl-1H-indole)","","CN1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(N3)C4=CN(C5=C4C=C(C=C5)Cl)C","NCGZRQCAVPMZRF-UHFFFAOYSA-N","45028129",NA,"PDBC18797","741212","Present"
-"3,5-Diyl)bis(5-methoxy-1-methyl-1H-indole)","","","","","","","","","","","","","","","","","","","","3,3?-(1H-pyrrole-2,5-diyl)bis(5-methoxy-1-methyl-1H-indole)","","CN1C=C(C2=C1C=CC(=C2)OC)C3=CC=C(N3)C4=CN(C5=C4C=C(C=C5)OC)C","DOHOSOBPHGDFBN-UHFFFAOYSA-N","45028128",NA,"PDBC18798","741211","Present"
-"3,5-Diylbis(5-methoxy-1H-indole)","","","","","","","","","","","","","","","","","","","","3,3?-THIENE-2,5-DIYLBIS(5-METHOXY-1H-INDOLE)","","COC1=CC2=C(C=C1)NC=C2C3=CC=C(S3)C4=CNC5=C4C=C(C=C5)OC","NNPXTSJASGWGIW-UHFFFAOYSA-N","16739281",NA,"PDBC18799","740108","Present"
-"3,5-Methano-2H-cyclopenta[b]furan-7-carboxylic acid, hexahydro-6-iodo-2-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-iodo-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate","","COC(=O)C1C2CC3C1C(=O)OC3C2I","VIPICYHXHUTBCQ-UHFFFAOYSA-N","360982",NA,"PDBC18800","623713","Present"
-"3,5-Pyridinedicarboxamide, 1,4-dihydro-N,N',4-tris(2-methoxyphenyl)-2,6-dimethyl-","","","","","","","","","","","","","","","","","","","","3,5-Pyridinedicarboxamide, 1,4-dihydro-N,N',4-tris(2-methoxyphenyl)-2,6-dimethyl-","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3OC)C(=O)NC4=CC=CC=C4OC","LAEKSXSPCRYHFM-UHFFFAOYSA-N","364527",NA,"PDBC18801","630913","Present"
-"3,5-Pyridinedicarboxamide, 4-(2-furanyl)-1,4-dihydro-N,N'-bis(2-methoxyphenyl)-2,6-dimethyl-","","","","","","","","","","","","","","","","","","","","3,5-Pyridinedicarboxamide, 4-(2-furanyl)-1,4-dihydro-N,N'-bis(2-methoxyphenyl)-2,6-dimethyl-","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CO3)C(=O)NC4=CC=CC=C4OC","BOJPYUTWNCAHQT-UHFFFAOYSA-N","361074",NA,"PDBC18802","623879","Present"
-"3,5-Pyridinedicarboxamide, 4-[4-(dimethylamino)phenyl]-1,4-dihydro-2,6-dimethyl-N,N'-bis(2-methylphenyl)-","","","","","","","","","","","","","","","","","","","","4-(4-Dimethylaminophenyl)-2,6-dimethyl-N3,N5-bis(o-tolyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=CC=C4C)C)C","XEKWSWMODRTLBO-UHFFFAOYSA-N","366166",NA,"PDBC18803","634493","Present"
-"3,5-Pyridinedicarboxamide, 4-[4-[1,4-dihydro-3,5-bis[[(2-methylphenyl)amino]carbonyl]-4-pyridinyl]phenyl]-1,4-dihydro-2,6-dimethyl-N,N'-bis(2-methylphenyl)-","","","","","","","","","","","","","","","","","","","","4-[4-[3,5-Bis[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=CC=CC=C1NC(=O)C2=CNC=C(C2C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5C)C)C)C(=O)NC6=CC=CC=C6C)C(=O)NC7=CC=CC=C7C","WHAUSGHILKMKSL-UHFFFAOYSA-N","365834",NA,"PDBC18804","633909","Present"
-"3,5-Pyridinedicarboxamide, N,N'-bis(3-chlorophenyl)-1,4-dihydro-4-(2-hydroxyphenyl)-2,6-dimethyl-","","","","","","","","","","","","","","","","","","","","3,5-Pyridinedicarboxamide, N,N'-bis(3-chlorophenyl)-1,4-dihydro-4-(2-hydroxyphenyl)-2,6-dimethyl-","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3O)C(=O)NC4=CC(=CC=C4)Cl","STACVIOGUYOYFV-UHFFFAOYSA-N","367670",NA,"PDBC18805","637600","Present"
-"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, bis[2-(2-cyanoacetyl)hydrazide]","","","","","","","","","","","","","","","","","","","","3-N',5-N'-Bis(2-cyanoacetyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbohydrazide","","CC1=C(CC(=C(N1)C)C(=O)NNC(=O)CC#N)C(=O)NNC(=O)CC#N","RYCIQYWWYYMJBA-UHFFFAOYSA-N","376623",NA,"PDBC18806","657653","Present"
-"3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, bis[2-(2-phenylacetyl)hydrazide]","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-N'~3~,N'~5~-bis(phenylacetyl)-1,4-dihydro-3,5-pyridinedicarbohydrazide","","CC1=C(CC(=C(N1)C)C(=O)NNC(=O)CC2=CC=CC=C2)C(=O)NNC(=O)CC3=CC=CC=C3","WXEOOHOUEZLOEF-UHFFFAOYSA-N","376649",NA,"PDBC18807","657679","Present"
-"3,5-Trimethoxy-4'-(2-diethylaminoethyl)bibenzyl","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxy-4'-(2-diethylaminoethyl)bibenzyl","","CCN(CC)CCOC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC","YRFIETZTXFJZDJ-UHFFFAOYSA-N","368072",NA,"PDBC18808","638400","Present"
-"3,5-Trimethoxy-4'-(2-dimethylaminoethyl)bibenzyl","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxy-4'-(2-dimethylaminoethyl)bibenzyl","","CN(C)CCOC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC","IZBWTCOGZBRZCM-UHFFFAOYSA-N","368071",NA,"PDBC18809","638399","Present"
-"3,5-Trimethoxy-4'-(diethoxymethyl)stilbene","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxy-4'-(diethoxymethyl)stilbene","","CCOC(C1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC","RAUPRXJYFORBRU-CMDGGOBGSA-N","5388746",NA,"PDBC18810","638401","Present"
-"3,5a,9-Trimethyl-8-phenylimino-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one","","","","","","","","","","","","","","","","","","","","(8E)-3,5a,9-Trimethyl-8-(phenylimino)-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-b]furan-2(3H)-one","","CC1C2CCC3(C=CC(=NC4=CC=CC=C4)C(=C3C2OC1=O)C)C","AJKVSLUKBHCQIS-UHFFFAOYSA-N","360739",NA,"PDBC18811","623078","Present"
-"3,5a-Dihydroxychromeno[2,3-b]chromen-12-one","","","","","","","","","","","","","","","","","","","","3,5a-Dihydroxychromeno[2,3-b]chromen-12-one","","C1=CC=C2C(=C1)C=C3C(=O)C4=C(C=C(C=C4)O)OC3(O2)O","MHUIMPYETBTSBU-UHFFFAOYSA-N","388320",NA,"PDBC18812","683055","Present"
-"3,6'-Dimethyl-8'-[(e)-(4-nitrophenyl)iminomethyl]spiro[1,3-benzoxazine-2,2'-chromene]-4-one","","","","","","","","","","","","","","","","","","","","3,6'-Dimethyl-8'-[(4-nitrophenyl)iminomethyl]spiro[1,3-benzoxazine-2,2'-chromene]-4-one","","CC1=CC2=C(C(=C1)C=NC3=CC=C(C=C3)[N+](=O)[O-])OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C","VCQGNIHNDGBKKY-UHFFFAOYSA-N","392257",NA,"PDBC18813","692398","Present"
-"3,6,10,17-Tetrazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11,13,15-hexaene","","","","","","","","","","","","","","","","","","","","3,6,10,17-Tetrazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11,13,15-hexaene","","C1CN2C=CN=C2C3=NC4=CC=CC=C4N3C1","OVLXNAHZWJLZBG-UHFFFAOYSA-N","398072",NA,"PDBC18814","707419","Present"
-"3,6,7-Tribromo-3-(bromomethyl)-2-chloro-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","3,6,7-Tribromo-3-(bromomethyl)-2-chloro-7-methyloct-1-ene","","CC(C)(C(CCC(CBr)(C(=C)Cl)Br)Br)Br","NPRTWFMPAGYFEZ-UHFFFAOYSA-N","379563",NA,"PDBC18815","664245","Present"
-"3,6,7-Tribromo-3-(bromomethyl)-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","3,6,7-Tribromo-3-(bromomethyl)-7-methyloct-1-ene","","CC(C)(C(CCC(CBr)(C=C)Br)Br)Br","QTOSBTPZXCUHJE-UHFFFAOYSA-N","376321",NA,"PDBC18816","657136","Present"
-"3,6,7-Trimethyl-1,1-dioxo-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile","","","","","","","","","","","","","","","","","","","","3,6,7-Trimethyl-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide","","CC1=C(OC2=C1S(=O)(=O)C(=C(N2)C)C#N)C","STXODLBQAYGFCT-UHFFFAOYSA-N","392832",NA,"PDBC18817","693810","Present"
-"3,6,7-Trimethyl-4-oxo-1H-cinnoline-8-carbonitrile","","","","","","","","","","","","","","","","","","","","3,6,7-Trimethyl-4-oxo-1H-cinnoline-8-carbonitrile","","CC1=CC2=C(C(=C1C)C#N)NN=C(C2=O)C","JJLUPSAHPIULPM-UHFFFAOYSA-N","367588",NA,"PDBC18818","637420","Present"
-"3,6,7-Triphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","","","","","","","","","","","","","","","","","","","3,6,7-Triphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","C1=CC=C(C=C1)C2=C(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","PJLOOQRJMBNBAR-UHFFFAOYSA-N","390089",NA,"PDBC18819","687032","Present"
-"3,6,9,12,15-Pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene-40,41-diol","","","","","","","","","","","","","","","","","","","","3,6,9,12,15-Pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene-40,41-diol","","C1COCCOC2=C3CC4=C(C(=CC=C4)CC5=C(C(=CC=C5)CC6=CC=CC(=C6O)CC2=CC=C3)OCCOCCO1)O","ZBNAVRAQMVHOKL-UHFFFAOYSA-N","389764",NA,"PDBC18820","686360","Present"
-"3,6,9,12-Tetrakis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.4.0]octadeca-1(18),14,16-triene-16,17-dicarbonitrile","","","","","","","","","","","","","","","","","","","","3,6,9,12-Tetrakis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.4.0]octadeca-1(18),14,16-triene-16,17-dicarbonitrile","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC3=CC(=C(C=C3CN(CC2)S(=O)(=O)C4=CC=C(C=C4)C)C#N)C#N)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C","NENATKGASCSFNM-UHFFFAOYSA-N","384242",NA,"PDBC18821","673657","Present"
-"3,6,9a-Trimethyl-3a,4,5,6,6a,9b-hexahydro-3H-azuleno[8,7-b]furan-2,9-dione","","","","","","","","","","","","","","","","","","","","Azuleno[4,5-b]furan-2,9-dione,3,3a,4,5,6,6a,9a,9b-octyah...","","CC1CCC2C(C(=O)OC2C3(C1C=CC3=O)C)C","DVCXNIHYLQWNNZ-UHFFFAOYSA-N","318378",NA,"PDBC18822","254667","Present"
-"3,6-Acridinediamine, 2,7,9-trimethyl-, monohydrochloride","","","","","","","","","","","","","","","","","","","","euchrysin","","CC1=CC2=C(C3=C(C=C(C(=C3)C)N)N=C2C=C1N)C.Cl","NOFPXGWBWIPSHI-UHFFFAOYSA-N","72769",NA,"PDBC18823","115905","Present"
-"3,6-Bis(1-hexyl-5-oxoimidazolidine-2-ylideneamino)acridine","","","","","","","","","","","","","","","","","","","","3,6-Bis((1-n-hexyl-5-oxo-imidazolidin-2-yliden)imino)- a...","","CCCCCCN1C(=O)CN=C1NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)NC5=NCC(=O)N5CCCCCC","WGTORGXLODLMPO-UHFFFAOYSA-N","53320851",NA,"PDBC18824","794965","Present"
-"3,6-Bis(2-(diethylamino)ethyl)-3,6-dihydro-11H-indazolo[5,4-b][1,8]naphthyridin-11-one","","","","","","","","","","","","","","","","","","","","3,6-Bis(2-(diethylamino)ethyl)-3,6-dihydro-11H-indazolo[5,4-b][1,8]naphthyridin-11-one","","CCN(CC)CCN1C2=C(C3=C(C=C2)N(N=C3)CCN(CC)CC)C(=O)C4=C1N=CC=C4","ARODSBOXDTXECO-UHFFFAOYSA-N","378714",NA,"PDBC18825","661819","Present"
-"3,6-Bis(2-methoxyphenyl)-2,5-dimethyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","","","","","","","","","","","","","","","","","","","3,6-Bis(2-methoxyphenyl)-2,5-dimethyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione","","CN1C(=C2C(=C(N(C2=O)C)C3=CC=CC=C3OC)C1=O)C4=CC=CC=C4OC","ZCOWXHGWFJTKBA-UHFFFAOYSA-N","377510",NA,"PDBC18826","658996","Present"
-"3,6-Bis(2-thienyl)piperazine-2,2,5,5-tetracarbonitrile","","","","","","","","","","","","","","","","","","","","3,6-Bis(2-thienyl)piperazine-2,2,5,5-tetracarbonitrile","","C1=CSC(=C1)C2C(NC(C(N2)(C#N)C#N)C3=CC=CS3)(C#N)C#N","BSQDLFOCPMYZAE-UHFFFAOYSA-N","385369",NA,"PDBC18827","676519","Present"
-"3,6-Bis(3-pyridyl)piperazine-2,2,5,5-tetracarbonitrile","","","","","","","","","","","","","","","","","","","","3,6-Dipyridin-3-ylpiperazine-2,2,5,5-tetracarbonitrile","","C1=CC(=CN=C1)C2C(NC(C(N2)(C#N)C#N)C3=CN=CC=C3)(C#N)C#N","BBHKXLCESJQZKQ-UHFFFAOYSA-N","388314",NA,"PDBC18828","683046","Present"
-"3,6-Bis(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-4,5-octanedione","","","","","","","","","","","","","","","","","","","","3,6-Bis(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-4,5-octanedione","","CCC(C(=O)C(=O)C(CC)P1(=O)N(CC(O1)(C)C)C(C)(C)C)P2(=O)N(CC(O2)(C)C)C(C)(C)C","POHCWNHEQVWZIR-UHFFFAOYSA-N","395328",NA,"PDBC18829","699810","Present"
-"3,6-Bis(4,5-dihydro-1H-imidazol-2-yl)-9-methylcarbazole;hydrochloride","","","","","","","","","","","","","","","","","","","","3,6-Bis(4,5-dihydro-1H-imidazol-2-yl)-9-methylcarbazole;hydrochloride","","CN1C2=C(C=C(C=C2)C3=NCCN3)C4=C1C=CC(=C4)C5=NCCN5.Cl","GGXVAENDRMYDLK-UHFFFAOYSA-N","401965",NA,"PDBC18830","715653","Present"
-"3,6-Bis(diisopropoxyphosphoryl)-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazine","","","","","","","","","","","","","","","","","","","","1,4-Bis(4-nitrophenyl)-3,6-di(izo-propoxyphosphoryl)-1,4...","","CC(C)OP(=O)(C1=NN(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)C3=CC=C(C=C3)[N+](=O)[O-])OC(C)C","CPWAIFJLZBUQRK-UHFFFAOYSA-N","374954",NA,"PDBC18831","653563","Present"
-"3,6-Bis(methylsulfanyl)-1,2,4,5-tetrazine","","","","","","","","","","","","","","","","","","","","3,6-Dimethylthio-1,2,4,5-tetrazine","","CSC1=NN=C(N=N1)SC","ROUDTSAXQIBBFZ-UHFFFAOYSA-N","384504",NA,"PDBC18832","674352","Present"
-"3,6-Bis(morpholinomethyl)pyrocatechol","","","","","","","","","","","","","","","","","","","","wln: t6n dotj a1r bq cq d1- at6n dotj","","C1COCCN1CC2=C(C(=C(C=C2)CN3CCOCC3)O)O","GXFKEXJQUZXFOS-UHFFFAOYSA-N","96672",NA,"PDBC18833","85459","Present"
-"3,6-Bis(o-tolyl)-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione","","","","","","","","","","","","","","","","","","","","3,6-Bis(o-tolyl)-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione","","CC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4C)SC2=O","CAWQXZKBTPGUKQ-UHFFFAOYSA-N","3004157",NA,"PDBC18834","633184","Present"
-"3,6-Bis(trifluoromethyl)-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","3,6-Bis(trifluoromethyl)-1H-quinoxalin-2-one","","C1=CC2=C(C=C1C(F)(F)F)N=C(C(=O)N2)C(F)(F)F","PAZIEKBLRBWBRP-UHFFFAOYSA-N","396148",NA,"PDBC18835","701696","Present"
-"3,6-Bis[(dimethylamino)methyl]cyclohexane-1,2-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC651593","","CN(C)CC1CCC(C(=O)C1=O)CN(C)C.Cl","HJIQVCPYBKYGBC-UHFFFAOYSA-N","374142",NA,"PDBC18836","651593","Present"
-"3,6-Di(1-adamantyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3,6-Di(1-adamantyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C67CC8CC(C6)CC(C8)C7","HIRDTNLONDNKRZ-UHFFFAOYSA-N","380435",NA,"PDBC18837","665958","Present"
-"3,6-Di(3-thienyl)-2,2,5,5-piperazinetetracarbonitrile","","","","","","","","","","","","","","","","","","","","3,6-Di(3-thienyl)-2,2,5,5-piperazinetetracarbonitrile","","C1=CSC=C1C2C(NC(C(N2)(C#N)C#N)C3=CSC=C3)(C#N)C#N","CSGZDKYEQBLCIM-UHFFFAOYSA-N","385370",NA,"PDBC18838","676520","Present"
-"3,6-Di(trifluoromethyl)-2-benzoylquinoxaline-4-oxide","","","","","","","","","","","","","","","","","","","","3,6-di(trifluoromethyl)-2-benzoylquinoxaline-4-oxide","","C1=CC=C(C=C1)C(=O)C2=NC3=C(C=C(C=C3)C(F)(F)F)[N+](=C2C(F)(F)F)[O-]","JINAGPSFZIUXHR-UHFFFAOYSA-N","54612702",NA,"PDBC18839","741436","Present"
-"3,6-Di(trifluoromethyl)-2-furoylquinoxaline-4-oxide","","","","","","","","","","","","","","","","","","","","3,6-di(trifluoromethyl)-2-furoylquinoxaline-4-oxide","","C1=COC(=C1)C(=O)C2=NC3=C(C=C(C=C3)C(F)(F)F)[N+](=C2C(F)(F)F)[O-]","QOIGTJUTNWDUIX-UHFFFAOYSA-N","23635777",NA,"PDBC18840","740114","Present"
-"3,6-Di-1H-indol-3-yl-1,4-dimethylpiperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","3,6-Bis(1H-indol-3-yl)-1,4-dimethyl-piperazine-2,5-dione","","CN1C(C(=O)N(C(C1=O)C2=CNC3=CC=CC=C32)C)C4=CNC5=CC=CC=C54","MZWQZGHDDHUBPK-UHFFFAOYSA-N","384229",NA,"PDBC18841","673645","Present"
-"3,6-Diamino-10-methylacridinium chloride","","","","","","","","","","","","","","","","","","","","avlon///Acriflavine///ACRIFLAVINIUM HYDROCHLORIDE","","C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[Cl-]","KKAJSJJFBSOMGS-UHFFFAOYSA-N","6842",NA,"PDBC18842","2755///47700///757387","Present"
-"3,6-Diamino-10-methylacridinium chloride hydrochloride","","","","","","","","","","","","","","","","","","","","Trypaflavine Hydrochloride","","C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.Cl.[Cl-]","OEGQPXPIKZELFM-UHFFFAOYSA-N","15558347",NA,"PDBC18843","163949","Present"
-"3,6-Diamino-2,7,10-trimethylacridinium chloride","","","","","","","","","","","","","","","","","","","","corioflavine r","","CC1=CC2=CC3=C(C=C(C(=C3)C)N)[N+](=C2C=C1N)C.[Cl-]","ADAOOVVYDLASGJ-UHFFFAOYSA-N","38475",NA,"PDBC18844","73411","Present"
-"3,6-Diammine-1,2-dichlorodiaminecobalt(III)chloride","","","","","","","","","","","","","","","","","","","","3,6-Diammine-1,2-dichlorodiaminecobalt(III)chloride","","","","",NA,"PDBC18845","630647","Present"
-"3,6-Dibromo-1-nitro-9H-carbazole","","","","","","","","","","","","","","","","","","","","ALBB-024793","","C1=CC2=C(C=C1Br)C3=C(N2)C(=CC(=C3)Br)[N+](=O)[O-]","XRMUUSATUCOGCF-UHFFFAOYSA-N","221765",NA,"PDBC18846","6777","Present"
-"3,6-Dibromo-3-(bromomethyl)-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","3,6-Dibromo-3-(bromomethyl)-7-methyloct-1-ene","","CC(C)C(CCC(CBr)(C=C)Br)Br","LRJPUDKMTFONPR-UHFFFAOYSA-N","382916",NA,"PDBC18847","670791","Present"
-"3,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-1-octene","","","","","","","","","","","","","","","","","","","","3,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-1-octene","","CC(C)(C(CCC(CBr)(C=C)Br)Br)Cl","BIJRAENMNMOHHB-UHFFFAOYSA-N","377929",NA,"PDBC18848","659552","Present"
-"3,6-Dibromo-9-chloro-9-phenyl-9H-fluorene","","","","","","","","","","","","","","","","","","","","9H-Fluorene, 3,6-dibromo-9-chloro-9-phenyl-","","C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)Cl","HSAQYXOLMZCUQU-UHFFFAOYSA-N","257927",NA,"PDBC18849","86549","Present"
-"3,6-Dibromophenanthrene-9,10-dione","","","","","","","","","","","","","","","","","","","","3,6-dibromophenanthrene-9,10-dione","","C1=CC2=C(C=C1Br)C3=C(C=CC(=C3)Br)C(=O)C2=O","WPEJBJRFPBMVGJ-UHFFFAOYSA-N","258450",NA,"PDBC18850","87364","Present"
-"3,6-Dibromopyridazine","","","","","","","","","","","","","","","","","","","","AMOT0288","","C1=CC(=NN=C1Br)Br","VQAFMTSSCUETHA-UHFFFAOYSA-N","248852",NA,"PDBC18851","66366","Present"
-"3,6-Dibromoquinolin-8-ol","","","","","","","","","","","","","","","","","","","","3,6-Dibromoquinolin-8-ol","","C1=C2C=C(C=NC2=C(C=C1Br)O)Br","IKRBVJIHPNQEHU-UHFFFAOYSA-N","384173",NA,"PDBC18852","673464","Present"
-"3,6-Dichloro-1H-pyrazolo[3,4-b]quinoxaline","","","","","","","","","","","","","","","","","","","","3,6-Dichloro-2H-pyrazolo[3,4-b]quinoxaline","","C1=CC2=NC3=NNC(=C3N=C2C=C1Cl)Cl","IQRSGTYBVOVHMD-UHFFFAOYSA-N","395033",NA,"PDBC18853","699217","Present"
-"3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one","","","","","","","","","","","","","","","","","","","","3,6-Dichloro-4-methoxychromen-2-one","","COC1=C(C(=O)OC2=C1C=C(C=C2)Cl)Cl","OKYGZJHSECWTGN-UHFFFAOYSA-N","297689",NA,"PDBC18854","168947","Present"
-"3,6-Dichloro-5-(3,6-dichloropyridazine-4-carbonyl)-N-(3,6-dichloropyridazin-4-yl)-N-propylpyridazine-4-carboxamide","","","","","","","","","","","","","","","","","","","","3,6-Dichloro-5-(3,6-dichloropyridazine-4-carbonyl)-N-(3,6-dichloropyridazin-4-yl)-N-propylpyridazine-4-carboxamide","","CCCN(C1=CC(=NN=C1Cl)Cl)C(=O)C2=C(C(=NN=C2Cl)Cl)C(=O)C3=CC(=NN=C3Cl)Cl","KTKAWYXAXRRCKF-UHFFFAOYSA-N","401637",NA,"PDBC18855","715339","Present"
-"3,6-Dichloro-8-nitroquinoline","","","","","","","","","","","","","","","","","","","","3,6-Dichloro-8-nitroquinoline","","C1=C2C=C(C=NC2=C(C=C1Cl)[N+](=O)[O-])Cl","HZYKVJJNFZDQPX-UHFFFAOYSA-N","384169",NA,"PDBC18856","673460","Present"
-"3,6-Dichloro-8-quinolinol","","","","","","","","","","","","","","","","","","","","3,6-Dichloro-8-quinolinol","","C1=C2C=C(C=NC2=C(C=C1Cl)O)Cl","DJNGQNQUJOVZPN-UHFFFAOYSA-N","384172",NA,"PDBC18857","673463","Present"
-"3,6-Dichloroquinolin-8-amine","","","","","","","","","","","","","","","","","","","","ZB0131","","C1=C2C=C(C=NC2=C(C=C1Cl)N)Cl","ZNNGHKIUXFCTFO-UHFFFAOYSA-N","384171",NA,"PDBC18858","673462","Present"
-"3,6-Dihydroindazolo[5,4-b][1,8]naphthyridin-11-one","","","","","","","","","","","","","","","","","","","","3,6-Dihydroindazolo[5,4-b][1,8]naphthyridin-11-one","","C1=CC2=C(NC3=C(C2=O)C4=C(C=C3)NN=C4)N=C1","BIOGSUZSWZKZCE-UHFFFAOYSA-N","378709",NA,"PDBC18859","661814","Present"
-"3,6-Dihydropyrazolo[3,4-f][1,2,3,5]tetrazepin-4(3H)-one","","","","","","","","","","","","","","","","","","","","3,5-dimethyl-6-phenyl-8-(trifluoromethyl)-5,6-dihydropyr...","","CN1C2=C(C(=NN2C3=CC=CC=C3)C(F)(F)F)N=NN(C1=O)C","ZSGOMKOCWBLQNL-UHFFFAOYSA-N","25148595",NA,"PDBC18860","742790","Present"
-"3,6-Dimethoxy-1,8,12-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one","","","","","","","","","","","","","","","","","","","","1,4-dimethoxy-7-azaisoindole[2,1-a]quinoxalin-6(5H)-one","","COC1=C2C(=C(C=C1)OC)N3C=C4C=CC=NC4=C3C(=O)N2","XFTOTOMDBOCAAE-UHFFFAOYSA-N","155805046",NA,"PDBC18861","754587","Present"
-"3,6-Dimethoxybenzene-1,2-dicarbonitrile;3-hydroxy-6-methoxybenzene-1,2-dicarbonitrile","","","","","","","","","","","","","","","","","","","","3,6-Dimethoxybenzene-1,2-dicarbonitrile;3-hydroxy-6-methoxybenzene-1,2-dicarbonitrile","","COC1=C(C(=C(C=C1)O)C#N)C#N.COC1=C(C(=C(C=C1)OC)C#N)C#N","MVGFDFJNAQPHCA-UHFFFAOYSA-N","358357",NA,"PDBC18862","618324","Present"
-"3,6-Dimethyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one","","","","","","","","","","","","","","","","","","","","3,6-Dimethyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one","","CC1C(N(C(C(NC1=O)C)C2=CC=CC=C2)N=O)C3=CC=CC=C3","NGMGPYNQJAKUED-UHFFFAOYSA-N","362612",NA,"PDBC18863","626742","Present"
-"3,6-Dimethyl-2,5-bis(p-tolyl)-1,6-dihydro-1,4-diazepine-7-thione","","","","","","","","","","","","","","","","","","","","3,6-Dimethyl-2,5-bis(p-tolyl)-1,6-dihydro-1,4-diazepine-7-thione","","CC1C(=NC(=C(NC1=S)C2=CC=C(C=C2)C)C)C3=CC=C(C=C3)C","DPBJTXPZRKQNTD-UHFFFAOYSA-N","3004570",NA,"PDBC18864","658392","Present"
-"3,6-Dimethyl-2,5-diphenyl-1,6-dihydro-1,4-diazepine-7-thione","","","","","","","","","","","","","","","","","","","","3,6-Dimethyl-2,5-diphenyl-1,6-dihydro-1,4-diazepine-7-thione","","CC1C(=NC(=C(NC1=S)C2=CC=CC=C2)C)C3=CC=CC=C3","KPNGPCJADYPWJW-UHFFFAOYSA-N","3004569",NA,"PDBC18865","658391","Present"
-"3,6-Dimethyl-4-nitropyridazine 1-oxide","","","","","","","","","","","","","","","","","","","","NSC193028","","CC1=CC(=C(N=[N+]1[O-])C)[N+](=O)[O-]","HCBAEWMORMEHJX-UHFFFAOYSA-N","96460",NA,"PDBC18866","193028","Present"
-"3,6-Dimethyl-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","","","","","","","","","","","","","","","","","","","3,6-Dimethyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(C(=C2N1C(=O)N(N=N2)C)C#N)C3=CC=CC=C3","GTXSTKXHPZTPEF-UHFFFAOYSA-N","398634",NA,"PDBC18867","708784","Present"
-"3,6-Dimethyl[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","3,6-Dimethyl[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid","","CC1=C(N2C(=NN=C2C3=CC=CC=C13)C)C(=O)O","DOATVAALOKVEAB-UHFFFAOYSA-N","390221",NA,"PDBC18868","687431","Present"
-"3,6-Dimethylthio-dihydrotetrazine","","","","","","","","","","","","","","","","","","","","3,6-Dimethylthio-dihydrotetrazine","","CSC1=NNC(=NN1)SC","LNYJEPPVBXMFNT-UHFFFAOYSA-N","384502",NA,"PDBC18869","674350","Present"
-"3,6-Dimethyoxy)benzylidineandrographolide","","","","","","","","","","","","","","","","","","","","3,19-(2,6-Dimethyoxy)benzylidineandrographolide","","CC12CCC3C(C1CCC(=C)C2CC=C4C(COC4=O)O)(COC(O3)C5=C(C=CC=C5OC)OC)C","BUVYDJYEFBHQJB-VCHYOVAHSA-N","54612897",NA,"PDBC18870","747448","Present"
-"3,6-Dinitro-4-(phenoxathiin-2-ylamino)chromen-2-one","","","","","","","","","","","","","","","","","","","","3,6-Dinitro-4-(phenoxathiin-2-ylamino)-2h-chromen-2-one","","C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NC4=C(C(=O)OC5=C4C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","FHCDFQRBIOHZAH-UHFFFAOYSA-N","403317",NA,"PDBC18871","718023","Present"
-"3,6-Dioxo-2,7-diphenyloctanedinitrile","","","","","","","","","","","","","","","","","","","","3,6-Dioxo-2,7-diphenyloctanedinitrile","","C1=CC=C(C=C1)C(C#N)C(=O)CCC(=O)C(C#N)C2=CC=CC=C2","FJLWLZNHTXAETN-UHFFFAOYSA-N","365344",NA,"PDBC18872","632935","Present"
-"3,6-Diphenyl-2,2,5,5-piperazinetetracarbonitrile","","","","","","","","","","","","","","","","","","","","3,6-Diphenyl-2,2,5,5-piperazinetetracarbonitrile","","C1=CC=C(C=C1)C2C(NC(C(N2)(C#N)C#N)C3=CC=CC=C3)(C#N)C#N","QVPFDGMLHNLKDK-UHFFFAOYSA-N","385624",NA,"PDBC18873","676964","Present"
-"3,6-di(trifluoromethyl)-2-benzoylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","3,6-di(trifluoromethyl)-2-benzoylquinoxaline 1,4-dioxide","","C1=CC=C(C=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C(F)(F)F","FKCFMPSVCOGQQS-UHFFFAOYSA-N","23635283",NA,"PDBC18874","741437","Present"
-"3,6-di(trifluoromethyl)-2-furoylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","3,6-di(trifluoromethyl)-2-furoylquinoxaline 1,4-dioxide","","C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C(F)(F)F","DGBWTDCILDELEX-UHFFFAOYSA-N","23635776",NA,"PDBC18875","740110","Present"
-"3,7,7-Trimethyl-3,4-bis(methylthio)bicyclo[4.1.0]heptane","","","","","","","","","","","","","","","","","","","","3,7,7-Trimethyl-3,4-bis(methylthio)bicyclo[4.1.0]heptane","","CC1(C2C1CC(C(C2)SC)(C)SC)C","GHHXTHWFXOUDSH-UHFFFAOYSA-N","373603",NA,"PDBC18876","650208","Present"
-"3,7,7-Trimethyl-4-((3-methyl-2-butenyl)thio)bicyclo[4.1.0]heptan-3-ol","","","","","","","","","","","","","","","","","","","","NSC655933///NSC655934","","CC(=CCSC1CC2C(C2(C)C)CC1(C)O)C","HRQMRCWBLSEHJD-UHFFFAOYSA-N","375780",NA,"PDBC18877","655933///655934","Present"
-"3,7,7-Trimethyl-4-(methylthio)bicyclo[4.1.0]heptan-3-ol","","","","","","","","","","","","","","","","","","","","NSC655922///NSC655925","","CC1(C2C1CC(C(C2)SC)(C)O)C","BEBHJEIMSRXFJR-UHFFFAOYSA-N","375772",NA,"PDBC18878","655922///655925","Present"
-"3,7,7-Trimethyl-4-(phenylthio)bicyclo[4.1.0]heptane-3-thiol","","","","","","","","","","","","","","","","","","","","3,7,7-Trimethyl-4-(phenylthio)bicyclo[4.1.0]heptane-3-thiol","","CC1(C2C1CC(C(C2)SC3=CC=CC=C3)(C)S)C","GEINJCZBPBJHJU-UHFFFAOYSA-N","375778",NA,"PDBC18879","655931","Present"
-"3,7-Bis(chloromethyl)-4,10-dimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione","","","","","","","","","","","","","","","","","","","","3,7-Bis(chloromethyl)-4,10-dimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione","","CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C(=CO3)CCl)C)CCl","SVYPQUMTTHYNPL-UHFFFAOYSA-N","371310",NA,"PDBC18880","645384","Present"
-"3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane","","","","","","","","","","","","","","","","","","","","3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane","","C1N2CN(CN1CN(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","QQOGRSKRFUQIAI-UHFFFAOYSA-N","304736",NA,"PDBC18881","201430","Present"
-"3,7-Bis(trifluoromethyl)-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","Z1869801443","","C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=N2)C(F)(F)F","QTULGPUFALWLQU-UHFFFAOYSA-N","396147",NA,"PDBC18882","701695","Present"
-"3,7-Di(trifluoromethyl)-2-furoylquinoxaline","","","","","","","","","","","","","","","","","","","","3,7-di(trifluoromethyl)-2-furoylquinoxaline","","C1=COC(=C1)C(=O)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(F)(F)F","ZDNXKSJIEIBVFJ-UHFFFAOYSA-N","23635781",NA,"PDBC18883","741427","Present"
-"3,7-Di(trifluoromethyl)-2-furoylquinoxaline-4-oxide","","","","","","","","","","","","","","","","","","","","3,7-di(trifluoromethyl)-2-furoylquinoxaline-4-oxide","","C1=COC(=C1)C(=O)C2=NC3=C(C=CC(=C3)C(F)(F)F)[N+](=C2C(F)(F)F)[O-]","CTXLNMITCRRVBZ-UHFFFAOYSA-N","23635779",NA,"PDBC18884","741426","Present"
-"3,7-Diamino-1,2,4-benzotriazine 1-oxide","","","","","","","","","","","","","","","","","","","","3,7-Diamino-1,2,4-benzotriazine 1-oxide","","C1=CC2=NC(=NN(C2=CC1=N)O)N","HFTVZWNPIHAXMJ-UHFFFAOYSA-N","494411",NA,"PDBC18885","623603","Present"
-"3,7-Diamino-4,6-dibromo-2-methoxyfluoren-9-one","","","","","","","","","","","","","","","","","","","","3,7-Diamino-4,6-dibromo-2-methoxy-9H-fluoren-9-one","","COC1=C(C(=C2C(=C1)C(=O)C3=CC(=C(C=C32)Br)N)Br)N","UCAXNBVCXYTFQK-UHFFFAOYSA-N","277056",NA,"PDBC18886","125541","Present"
-"3,7-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-8-one","","","","","","","","","","","","","","","","","","","","3,7-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-8-one","","C1CNC2C3=CC=CC4=C3C(=CC=C4)C(=O)N2C1","GCAPKUKTUYGOSO-UHFFFAOYSA-N","6712761",NA,"PDBC18887","710116","Present"
-"3,7-Dibenzylpurin-3-ium-6-amine;bromide","","","","","","","","","","","","","","","","","","","","NSC631800","","C1=CC=C(C=C1)CN2C=NC3=[N+](C=NC(=C32)N)CC4=CC=CC=C4.[Br-]","VSHCHJITTBYNJK-UHFFFAOYSA-N","364912",NA,"PDBC18888","631800","Present"
-"3,7-Dichloro-3-(chloromethyl)-7-methyl-1-octene","","","","","","","","","","","","","","","","","","","","3,6-dibromo-2,7-dichloro-3-(chloromethyl)-7-methyl-1-octene","","CC(C)(C(CCC(CCl)(C(=C)Cl)Br)Br)Cl","ODSBJZRNTONBMP-UHFFFAOYSA-N","379036",NA,"PDBC18889","662809","Present"
-"3,7-Dichloro-8-hydroxy-5-quinolinesulfonic acid","","","","","","","","","","","","","","","","","","","","3,7-Dichloro-8-hydroxyquinoline-5-sulfonic acid","","C1=C(C=NC2=C1C(=CC(=C2O)Cl)S(=O)(=O)O)Cl","ZKCYFBCVFMARLP-UHFFFAOYSA-N","395840",NA,"PDBC18890","700843","Present"
-"3,7-Dichloro-N,N-bis(2-chloroethyl)-11-oxo-5-(trichloromethyl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-amine","","","","","","","","","","","","","","","","","","","","3,7-Dichloro-N,N-bis(2-chloroethyl)-11-oxo-5-(trichloromethyl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-amine","","C1=CC2=C(C=C1Cl)C(C3=C(C=CC(=C3)Cl)OP(=O)(O2)N(CCCl)CCCl)C(Cl)(Cl)Cl","LWXUVGTUGXTSON-UHFFFAOYSA-N","382836",NA,"PDBC18891","670665","Present"
-"3,7-Dicyclohexyl-10-hydroxy-2,4,6,8-tetrahydro-[1,3]oxazino[5,6-g][1,3]benzoxazine-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","3,7-Dicyclohexyl-10-hydroxy-2,4,6,8-tetrahydro-[1,3]oxazino[5,6-g][1,3]benzoxazine-5-carboxylic acid","","C1CCC(CC1)N2CC3=C(C4=C(C(=C3OC2)O)OCN(C4)C5CCCCC5)C(=O)O","QBRHOQRHTZKIBI-UHFFFAOYSA-N","241222",NA,"PDBC18892","48448","Present"
-"3,7-Dimethoxy-2-benzofurancarboxylic acid","","","","","","","","","","","","","","","","","","","","2-Benzofurancarboxylic acid, 3,7-dimethoxy-","","COC1=CC=CC2=C1OC(=C2OC)C(=O)O","LPFARVHTKDMDGU-UHFFFAOYSA-N","363429",NA,"PDBC18893","628340","Present"
-"3,7-Dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodec-9-ene-4,8-dione","","","","","","","","","","","","","","","","","","","","3,7-Dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodec-9-ene-4,8-dione","","CN1C2CCC(C1=O)C3C=CC2C(=O)N3C","GGGJQKQBVMSMKP-UHFFFAOYSA-N","363034",NA,"PDBC18894","627578","Present"
-"3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one","","CC1=C2C(=CC=C1)C(OC2=O)(C)C3=CC=CC4=CC=CC=C43","IRFSCOBQNNMNKI-UHFFFAOYSA-N","348361",NA,"PDBC18895","407632","Present"
-"3,7-Dimethyl-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","3,7-dimethyl-5-(3,4,5-trimethoxyphenyl)-5H-thiazolo[3,2-...","","CC1=CC(N2C(=CSC2=N1)C)C3=CC(=C(C(=C3)OC)OC)OC","SCMPNZVEVJBADX-UHFFFAOYSA-N","155814673",NA,"PDBC18896","775723","Present"
-"3,7-Dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","3,7-Dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid","","CC1=C(C2=NN=C(N2C(=O)N1)C)C(=O)O","MLSLFBOCPGQCIX-UHFFFAOYSA-N","135499604",NA,"PDBC18897","624945","Present"
-"3,7-Dimethylnaphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","1,2-Naphthoquinone, 3,7-dimethyl-","","CC1=CC2=C(C=C1)C=C(C(=O)C2=O)C","SJOKRUOFICLCJY-UHFFFAOYSA-N","344295",NA,"PDBC18898","401130","Present"
-"3,7-Diphenoxy-1lambda4,2,8-trithia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene","","","","","","","","","","","","","","","","","","","","3,7-Diphenoxy-1lambda4,2,8-trithia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene","","C1=CC=C(C=C1)OC2=NC3=S(S2)SC(=N3)OC4=CC=CC=C4","DVMLESJVEIABTF-UHFFFAOYSA-N","371173",NA,"PDBC18899","645204","Present"
-"3,7-Dithia-1,9-nonanedithiol","","","","","","","","","","","","","","","","","","","","ACM25676624","","C(CSCCS)CSCCS","XYHKMRNYSMEEDT-UHFFFAOYSA-N","373740",NA,"PDBC18900","650639","Present"
-"3,7-di(trifluoromethyl)-2-benzoylquioxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","3,7-di(trifluoromethyl)-2-benzoylquioxaline 1,4-dioxide","","C1=CC=C(C=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])C(F)(F)F","HFBKXUNSNBXHFR-UHFFFAOYSA-N","23635282",NA,"PDBC18901","740384","Present"
-"3,7-di(trifluoromethyl)-2-furoylquioxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","3,7-di(trifluoromethyl)-2-furoylquioxaline 1,4-dioxide","","C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])C(F)(F)F","DMMKPEKMJWYVOQ-UHFFFAOYSA-N","23635775",NA,"PDBC18902","740386","Present"
-"3,7-di(trifluoromethyl)-2-naftoylquioxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","3,7-di(trifluoromethyl)-2-naftoylquioxaline 1,4-dioxide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=C(C=C4)C(F)(F)F)[O-])C(F)(F)F","GVUYIQYXHJGNGP-UHFFFAOYSA-N","23635411",NA,"PDBC18903","741425","Present"
-"3,7a-Dihydroxy-4,7-dimethyl-3,3a,4,7-tetrahydro-2H-isoindol-1-one","","","","","","","","","","","","","","","","","","","","3,7a-Dihydroxy-4,7-dimethyl-3,3a,4,7-tetrahydro-2H-isoindol-1-one","","CC1C=CC(C2(C1C(NC2=O)O)O)C","XAUZUUAUWTUMEU-UHFFFAOYSA-N","359226",NA,"PDBC18904","619935","Present"
-"3,8,9-Trihydroxy-3-methyl-10-(1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-2,4-dihydroanthracen-1-one","","","","","","","","","","","","","","","","","","","","[7,10'-Bianthracene]-1,1'(2H,2'H)-dione, 3,3',4,4'- tetr...","","CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=CC(=C3O)C4=C5CC(CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)O)O","FBPZAGOTWAVQJH-UHFFFAOYSA-N","114820",NA,"PDBC18905","667838","Present"
-"3,8,9-Trimethoxy-5H-isoindolo[2,1-a]quinoxalin-6-one","","","","","","","","","","","","","","","","","","","","3- METHOXY-5H-8,9-DIMETHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6...","","COC1=CC2=C(C=C1)N3C=C4C=C(C(=CC4=C3C(=O)N2)OC)OC","CNSTVRRUULEAPC-UHFFFAOYSA-N","54612830",NA,"PDBC18906","747526","Present"
-"3,8,9-Trimethoxyisoindolo[2,1-a]quinoxalin-6-amine","","","","","","","","","","","","","","","","","","","","3-methoxy-8,9-dimethoxy-isoindolo[2,1a]quinoxalin-6-(5H)...","","COC1=CC2=C(C=C1)N3C=C4C=C(C(=CC4=C3C(=N2)N)OC)OC","BOLIQLNPFPACMJ-UHFFFAOYSA-N","118734071",NA,"PDBC18907","760286","Present"
-"3,8-Dibenzyl-2,4,7,9-tetrahydro-[1,3]oxazino[5,6-h][1,3]benzoxazine","","","","","","","","","","","","","","","","","","","","2H,9H-Benzo[1,2-e:4,3-e]bis[1,3]oxazine, 3,8-dibenzyl-3,...","","C1C2=C(C3=C(CN(CO3)CC4=CC=CC=C4)C=C2)OCN1CC5=CC=CC=C5","AOZNAIBBITZLIO-UHFFFAOYSA-N","344936",NA,"PDBC18908","402109","Present"
-"3,8-Dibenzyl-5,10-ditert-butyl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazine","","","","","","","","","","","","","","","","","","","","Benzo[1,2-e:4,5-e']bis[1,3]oxazine, 5,10-bis(1,1-dimethy...","","CC(C)(C)C1=C2CN(COC2=C(C3=C1OCN(C3)CC4=CC=CC=C4)C(C)(C)C)CC5=CC=CC=C5","AXKSETRDCLGEDQ-UHFFFAOYSA-N","241231",NA,"PDBC18909","48458","Present"
-"3,8-Dimethoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole","","","","","","","","","","","","","","","","","","","","3,8-Dimethoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole","","COC1=CC2=C(C=C1)C3=C(CC2)C4=C(N3CCN5CCCCC5)C=CC(=C4)OC","FNBNQMUPTSSJOW-UHFFFAOYSA-N","390905",NA,"PDBC18910","689080","Present"
-"3,8-Dimethoxy-6,11-dihydro-5H-benzo[a]carbazole","","","","","","","","","","","","","","","","","","","","QEAWMKDRCXIJQQ-UHFFFAOYSA-N","","COC1=CC2=C(C=C1)C3=C(CC2)C4=C(N3)C=CC(=C4)OC","QEAWMKDRCXIJQQ-UHFFFAOYSA-N","390904",NA,"PDBC18911","689079","Present"
-"3,8-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran","","","","","","","","","","","","","","","","","","","","3,8-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran","","COC1=CC2=C(C=C1)OC3C2COC4=C3C=CC(=C4)OC","GHOLLDSBVAHGNB-UHFFFAOYSA-N","45028037",NA,"PDBC18912","740816","Present"
-"3,8-Dimethoxy-9,10-[1,3]butadieno-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran","","","","","","","","","","","","","","","","","","","","7,20-Dimethoxy-4,12-dioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14,16,18,20-octaene","","COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C5=CC=CC=C5C(=C4)OC","SHYIHISNMYEDPX-UHFFFAOYSA-N","44478252",NA,"PDBC18913","740815","Present"
-"3,8-Dimethoxybenzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","STK921190","","COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC)OC2=O","FTCCLANRGJOUKX-UHFFFAOYSA-N","800988",NA,"PDBC18914","735327","Present"
-"3,8-Dimethyl-1,2-naphthoquinone","","","","","","","","","","","","","","","","","","","","3,8-Dimethyl-1,2-naphthoquinone","","CC1=C2C(=CC=C1)C=C(C(=O)C2=O)C","DKHAQNNRAKURNG-UHFFFAOYSA-N","373912",NA,"PDBC18915","650935","Present"
-"3,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-ol","","","","","","","","","","","","","","","","","","","","CELYWWIEPXTVDS-UHFFFAOYSA-N","","CC1(CC2CCC(C1)N2C)O","CELYWWIEPXTVDS-UHFFFAOYSA-N","382572",NA,"PDBC18916","670183","Present"
-"3,9-Dihydroxy-11H-chromeno[4,3-b]indol-6-one","","","","","","","","","","","","","","","","","","","","3,9-Dihydroxy-11H-chromeno[4,3-b]indol-6-one","","C1=CC2=C(C=C1O)NC3=C2C(=O)OC4=C3C=CC(=C4)O","BUSSJLNPECLYJI-UHFFFAOYSA-N","5465573",NA,"PDBC18917","655185","Present"
-"3,9-Dimethoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol","","","","","","","","","","","","","","","","","","","","3,9-Dimethoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol","","COC1=CC2=C(C=C1)OC3C4=C(C=C(C=C4)OC)OCC3(C2)O","BJCCHFFELWOPID-UHFFFAOYSA-N","387602",NA,"PDBC18918","681611","Present"
-"3,9-Dimethoxy-6H,7H-chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","3,9-Dimethoxy-6H,7H-chromeno[4,3-b]chromene","","COC1=CC2=C(C=C1)OC3=C(C2)COC4=C3C=CC(=C4)OC","LQWOHFWLEKLHTL-UHFFFAOYSA-N","387605",NA,"PDBC18919","681614","Present"
-"3,9-Dimethoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","3,9-Dimethoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","COC1=CC2=C(C=C1)OC3C(C2)COC4=C3C=CC(=C4)OC","CEUNIUKNPAPBBE-UHFFFAOYSA-N","387591",NA,"PDBC18920","681600","Present"
-"3,9-Dimethoxychromeno[4,3-b]indol-6(11H)-one","","","","","","","","","","","","","","","","","","","","3,9-Dimethoxychromeno[4,3-b]indol-6(11H)-one","","COC1=CC2=C(C=C1)C3=C(N2)C4=C(C=C(C=C4)OC)OC3=O","ZBVQCKANIQUEDB-UHFFFAOYSA-N","376980",NA,"PDBC18921","658201","Present"
-"3,9-Diphenyl-4,5,6,7,8,9-hexahydrotriazolo[5,1-b]quinazoline","","","","","","","","","","","","","","","","","","","","3,9-Diphenyl-4,5,6,7,8,9-hexahydrotriazolo[5,1-b]quinazoline","","C1CCC2=C(C1)C(N3C(=C(N=N3)C4=CC=CC=C4)N2)C5=CC=CC=C5","TTZZJPJIRUQZNU-UHFFFAOYSA-N","404639",NA,"PDBC18922","721067","Present"
-"3,9-Diphenyl-6,6a,9a,9b-tetrahydro-5H-isoxazolo[4,5-e][1,2,4]oxadiazolo[4,5-c]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","5,12-Diphenyl-3,10-dioxa-4,6,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-4,11-dien-7-one","","C1=CC=C(C=C1)C2=NOC3C2C4N(C(=NO4)C5=CC=CC=C5)C(=O)N3","IHTIDIABGVBCOA-UHFFFAOYSA-N","394219",NA,"PDBC18923","697506","Present"
-"3,N-Dimethylamino)benzylidineandrographolide","","","","","","","","","","","","","","","","","","","","3,19-(4-N,N-dimethylamino)benzylidineandrographolide","","CC12CCC3C(C1CCC(=C)C2CC=C4C(COC4=O)O)(COC(O3)C5=CC=C(C=C5)N(C)C)C","DAVQULZBDZGAKW-SRZZPIQSSA-N","54613734",NA,"PDBC18924","747447","Present"
-"3,cis-1,3,5-Trimethylcyclohexane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","3,5-Bis(benzyloxycarbonyl)-cis,cis-1,3,5-trimethylcycloh...","","CC1(CC(CC(C1)(C)C(=O)OCC2=CC=CC=C2)(C)C(=O)OCC3=CC=CC=C3)C(=O)O","LANVUUUPFSDZDU-NXMIGULDSA-N","401486",NA,"PDBC18925","715144","Present"
-"3-((((4'-((((2-Carboxyethyl)thio)carbonyl)amino)-2',3-dimethoxy[1,1'-biphenyl]-4-yl)amino)carbonyl)thio)propanoic acid","","","","","","","","","","","","","","","","","","","","3,3'-[N,N'-(2,3'-Dimethoxy-4,4'-biphenylthiocarbamoyl0]-...","","COC1=C(C=CC(=C1)C2=C(C=C(C=C2)NC(=O)SCCC(=O)O)OC)NC(=O)SCCC(=O)O","YGJOJCXIJFDDQS-UHFFFAOYSA-N","363903",NA,"PDBC18926","629291","Present"
-"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-1H-indole","","","","","","","","","","","","","","","","","","","","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-1H-indole","","CN1C=C(C2=CC=CC=C21)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl","QRSQPLAOVPDPAZ-UHFFFAOYSA-N","381016",NA,"PDBC18927","666999","Present"
-"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-2,7-dimethyl-4,5-dioxo-4H,5H-pyrano[4,3-b]pyran","","","","","","","","","","","","","","","","","","","","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-2,7-dimethyl-4,5-dioxo-4H,5H-pyrano[4,3-b]pyran","","CC1=CC2=C(C(=O)C(=C(O2)C)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)O1","KPQPTZCQWUUZJS-UHFFFAOYSA-N","381017",NA,"PDBC18928","667000","Present"
-"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-2-phenyl-4H-chromene","","","","","","","","","","","","","","","","","","","","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-2-phenyl-4H-chromene","","C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)S(=O)(=O)NC(=O)NC4=CC=C(C=C4)Cl","OYZZTVVOUDYJOP-UHFFFAOYSA-N","383329",NA,"PDBC18929","671439","Present"
-"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-4H-chromene","","","","","","","","","","","","","","","","","","","","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-4H-chromene","","C1=CC=C2C(=C1)C(=O)C(=CO2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl","JQUMLMAFJOZZEM-UHFFFAOYSA-N","378743",NA,"PDBC18930","661842","Present"
-"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-1-methyl-4-oxo-1,4-dihydroquinoline","","","","","","","","","","","","","","","","","","","","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-1-methyl-4-oxo-1,4-dihydroquinoline","","CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl","HDDISMZPKLCTGB-UHFFFAOYSA-N","383328",NA,"PDBC18931","671438","Present"
-"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-4-oxo-4H-chromene","","","","","","","","","","","","","","","","","","","","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-4-oxo-4H-chromene","","C1=CC(=CC=C1NC(=O)NS(=O)(=O)C2=COC3=C(C2=O)C=CC(=C3)F)Cl","FITFMRVFIOBJNY-UHFFFAOYSA-N","382410",NA,"PDBC18932","669971","Present"
-"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-methyl-4,5-dioxo-4H,5H-pyrano[4,3-b]pyran","","","","","","","","","","","","","","","","","","","","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-methyl-4,5-dioxo-4H,5H-pyrano[4,3-b]pyran","","CC1=CC2=C(C(=O)C(=CO2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)O1","NJWWOJZMQOAJGK-UHFFFAOYSA-N","381015",NA,"PDBC18933","666998","Present"
-"3-((((Cyanoimino)(isopropylamino)methyl)amino)sulfonyl)-4-(cyclooctylamino)pyridine","","","","","","","","","","","","","","","","","","","","3-((((Cyanoimino)(isopropylamino)methyl)amino)sulfonyl)-4-(cyclooctylamino)pyridine","","CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CN=C1)NC2CCCCCCC2","KZMDYJUEDFESJX-UHFFFAOYSA-N","388894",NA,"PDBC18934","684124","Present"
-"3-((((Isopropylamino)carbonyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate","","","","","","","","","","","","","","","","","","","","3-((((Isopropylamino)carbonyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate","","CC(C)NC(=O)OCC1=C2C(CCN2N=N1)OC(=O)C","SVIHJYUIIHWUSI-UHFFFAOYSA-N","362186",NA,"PDBC18935","625777","Present"
-"3-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclobutanol","","","","","","","","","","","","","","","","","","","","3-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclobutanol","","C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)O","XXPJAWHCORDZMI-UHFFFAOYSA-N","385248",NA,"PDBC18936","676361","Present"
-"3-(((2-(2,4-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-(((2-(2,4-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid","","C1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O","IBTOSTKIDLKSIR-UHFFFAOYSA-N","380746",NA,"PDBC18937","666453","Present"
-"3-(((2-(2-Hydroxy-1-naphthyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-(((2-(2-Hydroxy-1-naphthyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid","","C1C(=O)N(C(S1)C2=C(C=CC3=CC=CC=C32)O)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O","IGYZXJCGDWQACZ-UHFFFAOYSA-N","380748",NA,"PDBC18938","666455","Present"
-"3-(((2-(4-(Dimethylamino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-(((2-(4-(Dimethylamino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid","","CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O","CUYFIUFFEXPVFB-UHFFFAOYSA-N","380747",NA,"PDBC18939","666454","Present"
-"3-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-1-(hydroxymethyl)cyclobutanol","","","","","","","","","","","","","","","","","","","","3-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-1-(hydroxymethyl)cyclobutanol","","C1C(CC1(CO)O)CNC2=CC(=NC(=N2)N)Cl","SYHBLUDCGMKILQ-UHFFFAOYSA-N","385215",NA,"PDBC18940","676328","Present"
-"3-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclopentanol","","","","","","","","","","","","","","","","","","","","3-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclopentanol","","C1CC(CC1O)(CNC2=CC(=NC(=N2)N)Cl)CO","AAOOWHDBDCRODB-UHFFFAOYSA-N","385239",NA,"PDBC18941","676352","Present"
-"3-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-1-(hydroxymethyl)cyclobutanol","","","","","","","","","","","","","","","","","","","","3-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-1-(hydroxymethyl)cyclobutanol","","C1C(CC1(CO)O)COC2=CC(=NC(=N2)N)Cl","JJCVFPXTRCUEAO-UHFFFAOYSA-N","385275",NA,"PDBC18942","676386","Present"
-"3-(((2-Mercapto-6-(2-phenylvinyl)-4-pyrimidinyl)carbonyl)amino)-4-methylbenzoic acid","","","","","","","","","","","","","","","","","","","","4-Methyl-3-[[6-[(E)-styryl]-2-sulfanyl-pyrimidine-4-carbonyl]amino]benzoic acid","","CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=NC(=S)NC(=C2)C=CC3=CC=CC=C3","UTXHLQLKKUFVRS-CSKARUKUSA-N","5388433",NA,"PDBC18943","635972","Present"
-"3-(((3-Chlorophenyl)amino)methyl)-5-(2-hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","3-[(3-Chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-...","","C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC(=CC=C3)Cl)O","NVPJDYROQRMSQZ-UHFFFAOYSA-N","3072664",NA,"PDBC18944","731990","Present"
-"3-(((4-((4-Cyanophenyl)methyl)-2,6-dimethyl-1-piperazinyl)imino)methyl)rifamycin","","","","","","","","","","","","","","","","","","","","Rifamycin, 3-[[[4-[(4-cyanophenyl)methyl]-2,6-dimethyl-1...","","CC1CN(CC(N1N=CC2=C3C(=C4C(=C2O)C5=C(C(=C4O)C)OC(C5=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)N3)C)C)O)C)O)C)OC(=O)C)C)OC)C)O)C)CC6=CC=C(C=C6)C#N","VIEZZGHBQDFAGT-CTLQZCGTSA-N","135443612",NA,"PDBC18945","184736","Present"
-"3-(((4-Bromophenyl)sulfonyl)amino)-N-(2-chlorophenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","","","","","","","","","","","","","","","","","","","3-(((4-Bromophenyl)sulfonyl)amino)-N-(2-chlorophenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","C1=CC=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=C(C=C4)Br)Cl","LVSJSJYHUBENIM-UHFFFAOYSA-N","390421",NA,"PDBC18946","687775","Present"
-"3-(((4-Chlorophenyl)sulfonyl)amino)-N-(2-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","","","","","","","","","","","","","","","","","","","3-(((4-Chlorophenyl)sulfonyl)amino)-N-(2-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=C(C=C4)Cl","IJSFZGGBGILMRR-UHFFFAOYSA-N","390419",NA,"PDBC18947","687773","Present"
-"3-(((4-Iodophenyl)sulfonyl)amino)-N-(4-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","","","","","","","","","","","","","","","","","","","3-(((4-Iodophenyl)sulfonyl)amino)-N-(4-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=C(C=C4)I","LFAAFQMOZGKCDG-UHFFFAOYSA-N","390420",NA,"PDBC18948","687774","Present"
-"3-(((4-Methylphenyl)sulfonyl)hydrazono)-N-(2-phenylethyl)butanamide","","","","","","","","","","","","","","","","","","","","3-(((4-Methylphenyl)sulfonyl)hydrazono)-N-(2-phenylethyl)butanamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CC(=O)NCCC2=CC=CC=C2","OYNSBVXFPUVUCQ-LTGZKZEYSA-N","9555842",NA,"PDBC18949","641853","Present"
-"3-(((4-Methylphenyl)sulfonyl)oxy)-2-quinoxalinyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","3-(((4-Methylphenyl)sulfonyl)oxy)-2-quinoxalinyl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=CC=CC=C3N=C2OS(=O)(=O)C4=CC=C(C=C4)C","YSONXTJQPCICTE-UHFFFAOYSA-N","381309",NA,"PDBC18950","667747","Present"
-"3-(((4-Methylphenyl)sulfonyl)oxy)pyrazino[2,3-b]quinoxalin-2-yl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","3-(((4-Methylphenyl)sulfonyl)oxy)pyrazino[2,3-b]quinoxalin-2-yl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=NC4=CC=CC=C4N=C3N=C2OS(=O)(=O)C5=CC=C(C=C5)C","CPZKCOVBWFYTQJ-UHFFFAOYSA-N","381318",NA,"PDBC18951","667759","Present"
-"3-(((4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-[(4-oxo-2-phenyl-thiazolidin-3-yl)sulfamoyl]benzoic acid","","C1C(=O)N(C(S1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O","IWTUOIQXBAXIDN-UHFFFAOYSA-N","380743",NA,"PDBC18952","666450","Present"
-"3-(((6-((2-Carboxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)amino)sulfonyl)-4-methylbenzoic acid","","","","","","","","","","","","","","","","","","","","3-({6-[(2-Carboxyphenyl)sulfamoyl]-4-oxoquinazolin-3(4h)-yl}sulfamoyl)-4-methylbenzoic acid","","CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O","QMLIGHXZIDCDPB-UHFFFAOYSA-N","390425",NA,"PDBC18953","687779","Present"
-"3-(((Allylamino)carbothioyl)amino)-2-cyanoacrylamide","","","","","","","","","","","","","","","","","","","","3-(((Allylamino)carbothioyl)amino)-2-cyanoacrylamide","","C=CCNC(=S)NC=C(C#N)C(=O)N","DYCKHRLWWQEWOV-AATRIKPKSA-N","3004596",NA,"PDBC18954","658513","Present"
-"3-(((Benzyloxy)carbonyl)amino)propyl 3-(((benzyloxy)carbonyl)amino)propanoate","","","","","","","","","","","","","","","","","","","","3-(N-Benzyloxycarbonyl)propyl,1-(N-Benzyloxycarbonyl)pro...","","C1=CC=C(C=C1)COC(=O)NCCCOC(=O)CCNC(=O)OCC2=CC=CC=C2","ICHLFRFMZJPUMI-UHFFFAOYSA-N","376760",NA,"PDBC18955","657816","Present"
-"3-(((Cyclohexylamino)carbonyl)oxy)-4-methyl-1,3-thiazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","3-(((Cyclohexylamino)carbonyl)oxy)-4-methyl-1,3-thiazole-2(3H)-thione","","CC1=CSC(=S)N1OC(=O)NC2CCCCC2","YWIGSPQBYOGMRD-UHFFFAOYSA-N","372703",NA,"PDBC18956","648263","Present"
-"3-(((Tert-Butyl(dimethyl)silyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate","","","","","","","","","","","","","","","","","","","","3-(((Tert-Butyl(dimethyl)silyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate","","CC(=O)OC1CCN2C1=C(N=N2)CO[Si](C)(C)C(C)(C)C","GGGPFXWZPAAYBK-UHFFFAOYSA-N","362190",NA,"PDBC18957","625781","Present"
-"3-((1,1-Dimethyl-2-propynyl)oxy)-1-methoxy-10-methyl-9(10H)-acridinone","","","","","","","","","","","","","","","","","","","","3-((1,1-Dimethyl-2-propynyl)oxy)-1-methoxy-10-methyl-9(10H)-acridinone","","CC(C)(C#C)OC1=CC2=C(C(=C1)OC)C(=O)C3=CC=CC=C3N2C","YROHGMCYIGGUGE-UHFFFAOYSA-N","378565",NA,"PDBC18958","661204","Present"
-"3-((1,3-Benzodioxol-5-ylmethylene)amino)-6H-benzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","3-((1,3-Benzodioxol-5-ylmethylene)amino)-6H-benzo[c]chromen-6-one","","C1OC2=C(O1)C=C(C=C2)C=NC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4","VQEBKHUPMSDMKM-UHFFFAOYSA-N","269048",NA,"PDBC18959","109593","Present"
-"3-((1-Adamantylimino)methyl)benzonitrile","","","","","","","","","","","","","","","","","","","","3-((1-Adamantylimino)methyl)benzonitrile","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)C#N","MESOCEVFWHRFRK-UHFFFAOYSA-N","365173",NA,"PDBC18960","632383","Present"
-"3-((1-Methyl-4-nitro-5-imidazolyl)thio)-1H-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","1H-1,2,4-Triazole, 3-[(1-methyl-4-nitro-1H-imidazol-5-yl...","","CN1C=NC(=C1SC2=NC=NN2)[N+](=O)[O-]","YUPUITJUYVPDSP-UHFFFAOYSA-N","100514",NA,"PDBC18961","311074","Present"
-"3-((1H-Imidazol-1-yl)methyl)-1-benzyl-5-nitro-1H-indole-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","3-((1H-imidazol-1-yl)methyl)-1-benzyl-5-nitro-1H-indole-...","","C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2C=O)CN4C=CN=C4","QEODFJMVDIPNKP-UHFFFAOYSA-N","361928",NA,"PDBC18962","625409","Present"
-"3-((2,2-Dimethyl-3,4-dihydro-2H-chromen-7-yl)oxy)propanoic acid","","","","","","","","","","","","","","","","","","","","3-((2,2-Dimethyl-3,4-dihydro-2H-chromen-7-yl)oxy)propanoic acid","","CC1(CCC2=C(O1)C=C(C=C2)OCCC(=O)O)C","JNIAJYYUQYEOQQ-UHFFFAOYSA-N","361270",NA,"PDBC18963","624212","Present"
-"3-((2,2-Dimethylpropanoyl)oxy)-2-((phenylacetyl)oxy)propyl octanoate","","","","","","","","","","","","","","","","","","","","3-((2,2-Dimethylpropanoyl)oxy)-2-((phenylacetyl)oxy)propyl octanoate","","CCCCCCCC(=O)OCC(COC(=O)C(C)(C)C)OC(=O)CC1=CC=CC=C1","SEBZOKLJHUYDPT-UHFFFAOYSA-N","372446",NA,"PDBC18964","647560","Present"
-"3-((2,2-Dimethylpropanoyl)oxy)-2-(hydroxy(oxido)amino)propyl pivalate","","","","","","","","","","","","","","","","","","","","3-((2,2-Dimethylpropanoyl)oxy)-2-(hydroxy(oxido)amino)propyl pivalate","","CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)[N+](=O)[O-]","GPAFJOYSMVKLIG-UHFFFAOYSA-N","361155",NA,"PDBC18965","623987","Present"
-"3-((2,3-Dichlorophenyl)methylene)carbazamidine","","","","","","","","","","","","","","","","","","","","Raphin1","","C1=CC(=C(C(=C1)Cl)Cl)C=NN=C(N)N","WLTSTDGGFCQWTK-YIXHJXPBSA-N","9560222",NA,"PDBC18966","65809","Present"
-"3-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N-(4-(hydroxy(oxido)amino)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N-(4-(hydroxy(oxido)amino)phenyl)butanamide","","CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]","UIENFXXWEZOEPP-VCHYOVAHSA-N","5752445",NA,"PDBC18967","641846","Present"
-"3-((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)-2,2-dimethyl-1-propanol","","","","","","","","","","","","","","","","","","","","3-((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)-2,2-dimethyl-1-propanol","","CC(C)(CNC1=C(C(=NC(=N1)N)Cl)N)CO","GIOGNUNOQMYYEI-UHFFFAOYSA-N","385213",NA,"PDBC18968","676326","Present"
-"3-((2,6-Dihydroxy-4-pyrimidinyl)amino)benzyl thiocyanate","","","","","","","","","","","","","","","","","","","","3-((2,6-Dihydroxy-4-pyrimidinyl)amino)benzyl thiocyanate","","C1=CC(=CC(=C1)NC2=CC(=O)NC(=O)N2)CSC#N","CMCVIPUTXVXQNM-UHFFFAOYSA-N","388638",NA,"PDBC18969","683650","Present"
-"3-((2-((3-((2-Mercaptoethyl)thio)propyl)thio)ethyl)thio)-1-propanethiol","","","","","","","","","","","","","","","","","","","","3-((2-((3-((2-Mercaptoethyl)thio)propyl)thio)ethyl)thio)-1-propanethiol","","C(CS)CSCCSCCCSCCS","TZRHFQDCFPUCAL-UHFFFAOYSA-N","373741",NA,"PDBC18970","650640","Present"
-"3-((2-((3-Hydroxypropyl)thio)phenyl)thio)-1-propanol","","","","","","","","","","","","","","","","","","","","3-((2-((3-Hydroxypropyl)thio)phenyl)thio)-1-propanol","","C1=CC=C(C(=C1)SCCCO)SCCCO","BNYRAEKXYGLTGS-UHFFFAOYSA-N","373745",NA,"PDBC18971","650644","Present"
-"3-((2-(3,4-Bis(benzyloxy)phenyl)-2-hydroxyethyl)amino)-1-propanol","","","","","","","","","","","","","","","","","","","","3-((2-(3,4-Bis(benzyloxy)phenyl)-2-hydroxyethyl)amino)-1-propanol","","C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(CNCCCO)O)OCC3=CC=CC=C3","TYCVHWFTERFAOH-UHFFFAOYSA-N","383867",NA,"PDBC18972","672648","Present"
-"3-((2-(Benzoylamino)-3-phenylacryloyl)amino)-N-(3-hydroxypropyl)benzamide","","","","","","","","","","","","","","","","","","","","3-((2-(Benzoylamino)-3-phenylacryloyl)amino)-N-(3-hydroxypropyl)benzamide","","C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)NCCCO)NC(=O)C3=CC=CC=C3","JKUSUWXNDPCFFL-QJOMJCCJSA-N","6477543",NA,"PDBC18973","686416","Present"
-"3-((2-Amino-2-oxoethyl)sulfinyl)alanine","","","","","","","","","","","","","","","","","","","","3-((2-Amino-2-oxoethyl)sulfinyl)alanine","","C(C(C(=O)O)N)S(=O)CC(=O)N","XSQKKPFNIVGDHL-UHFFFAOYSA-N","225083",NA,"PDBC18974","14161","Present"
-"3-((2-Amino-3-thienyl)sulfonyl)-2-thienylamine","","","","","","","","","","","","","","","","","","","","3-((2-Amino-3-thienyl)sulfonyl)-2-thienylamine","","C1=CSC(=C1S(=O)(=O)C2=C(SC=C2)N)N","HFAJTDKRIDUPQO-UHFFFAOYSA-N","392828",NA,"PDBC18975","693805","Present"
-"3-((2-Amino-6-chloro-4-pyrimidinyl)amino)-2,2-dimethyl-1-propanol","","","","","","","","","","","","","","","","","","","","3-((2-Amino-6-chloro-4-pyrimidinyl)amino)-2,2-dimethyl-1-propanol","","CC(C)(CNC1=CC(=NC(=N1)N)Cl)CO","HBVZZAQGRMBILZ-UHFFFAOYSA-N","385209",NA,"PDBC18976","676322","Present"
-"3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid","","","","","","","","","","","","","","","","","","","","AK174100","","C1=CC(=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl","VMWNQMAQVXLDIL-UHFFFAOYSA-N","287272",NA,"PDBC18977","146848","Present"
-"3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one","","","","","","","","","","","","","","","","","","","","3-[(2-methoxy-4-nitrophenyl)amino]cyclohex-2-en-1-one","","COC1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC(=O)CCC2","BDUBYPQFPJUIKW-UHFFFAOYSA-N","403916",NA,"PDBC18978","719575","Present"
-"3-((2-Methyl-1-naphthyl)methyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-((2-Methyl-1-naphthyl)methyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","CC1=C(C2=CC=CC=C2C=C1)CC3S(=O)(=O)OCCOS3(=O)=O","DZSOYXYGKZKKQT-UHFFFAOYSA-N","386592",NA,"PDBC18979","679043","Present"
-"3-((2-Methyl[1,1'-biphenyl]-4-yl)oxy)-1,2-propanediol","","","","","","","","","","","","","","","","","","","","3-((2-Methyl[1,1'-biphenyl]-4-yl)oxy)-1,2-propanediol","","CC1=C(C=CC(=C1)OCC(CO)O)C2=CC=CC=C2","TVGMLVDBVKUDLV-UHFFFAOYSA-N","367371",NA,"PDBC18980","637010","Present"
-"3-((2-Pyridinylmethyl)amino)-1-propanol","","","","","","","","","","","","","","","","","","","","hydroxypropylpicolylamine","","C1=CC=NC(=C1)CNCCCO","UTTDICFUEAFWJV-UHFFFAOYSA-N","248485",NA,"PDBC18981","65650","Present"
-"3-((2E)-2-{4-[(2-Cyanoethyl)(methylsulfonyl)amino]benzylidene}hydrazino)-N-(4-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-[4-[2-Cyanoethyl(methylsulfonyl)amino]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide","","COC1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C","QOJYIHLPYYOQDO-HZHRSRAPSA-N","9555827",NA,"PDBC18982","638220","Present"
-"3-((3,4-Dimethoxyphenyl)(6-hydroxy-1,3-benzodioxol-5-yl)methyl)-4-hydroxy-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3-((3,4-Dimethoxyphenyl)(6-hydroxy-1,3-benzodioxol-5-yl)methyl)-4-hydroxy-2(5H)-furanone","","COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)C4=C(COC4=O)O)OC","GKPCWXUGSYMKJL-UHFFFAOYSA-N","54681652",NA,"PDBC18983","665495","Present"
-"3-((3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl)thio)propanoic acid","","","","","","","","","","","","","","","","","","","","3-((3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl)thio)propanoic acid","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSCCC(=O)O","HLTKJLWZQPFPON-UHFFFAOYSA-N","362709",NA,"PDBC18984","626948","Present"
-"3-((3-(Hydroxymethyl)-1-piperidinyl)methyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","3-((3-(Hydroxymethyl)-1-piperidinyl)methyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone","","C1CC(CN(C1)CN2C(=O)C(=CC3=CC=CS3)NC2=S)CO","VJUNXPAQVWNAFR-QPEQYQDCSA-N","5469466",NA,"PDBC18985","688928","Present"
-"3-((3-(Methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone","","","","","","","","","","","","","","","","","","","","3-((3-(Methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone","","CSC1=C(C2=CC=CC=C2N=C1)SC3=CNC4=CC=CC=C4C3=O","NNBZVAAQEUSNMM-UHFFFAOYSA-N","373248",NA,"PDBC18986","649312","Present"
-"3-((3-Acetyl-4-oxopentyl)sulfonyl)-2-(tert-butylhydrazono)-N-(3-methoxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-((3-Acetyl-4-oxopentyl)sulfonyl)-2-(tert-butylhydrazono)-N-(3-methoxyphenyl)propanamide","","CC(=O)C(CCS(=O)(=O)CC(=NNC(C)(C)C)C(=O)NC1=CC(=CC=C1)OC)C(=O)C","MMAFNYWYUGCYJM-NMWGTECJSA-N","9571288",NA,"PDBC18987","641409","Present"
-"3-((4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)methyl)-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-4-(2-naphthyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","3-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-N-(4-methoxy-2-nitrophenyl)-4-naphthalen-2-yl-2,4-dioxobutanamide","","COC1=CC(=C(C=C1)NC(=O)C(=O)C(CC2C(=O)NC(=S)NC2=O)C(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]","FOOGIACKRONMOH-UHFFFAOYSA-N","3004390",NA,"PDBC18988","649580","Present"
-"3-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","3-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoic acid","","CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=NC3=CC=CC(=C3)C(=O)O","RFEQBEGCDZLDSC-UHFFFAOYSA-N","370470",NA,"PDBC18989","643600","Present"
-"3-((4-(3,4-Dimethoxybenzylidene)-5-oxo-2-thioxo-1-imidazolidinyl)methylene)-2H-chromene-2,4(3H)-dione","","","","","","","","","","","","","","","","","","","","(3Z)-3-[[(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione","","COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O)OC","WXELTYCTUAXNJP-FCNLOUOCSA-N","5467662",NA,"PDBC18990","657605","Present"
-"3-((4-(Aminosulfonyl)phenyl)diazenyl)-2-hydroxy-1-naphthoic acid","","","","","","","","","","","","","","","","","","","","3-((4-(Aminosulfonyl)phenyl)diazenyl)-2-hydroxy-1-naphthoic acid","","C1=CC=C2C(=C1)C=C(C(=C2C(=O)O)O)N=NC3=CC=C(C=C3)S(=O)(=O)N","ROSNSSVBDFGLGW-UHFFFAOYSA-N","281365",NA,"PDBC18991","134148","Present"
-"3-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-Carboxy-(2'-methyl-4'N,N-bis-2'cyanoethylamino) azoben...","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=CC(=C2)C(=O)O","XQLWUFCDTVCONH-UHFFFAOYSA-N","365294",NA,"PDBC18992","632845","Present"
-"3-((4-(Dimethylamino)benzylidene)amino)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-((4-(Dimethylamino)benzylidene)amino)-2-phenyl-4(3H)-quinazolinone","","CN(C)C1=CC=C(C=C1)C=NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4","ZODVXVXCAGSHMO-LFVJCYFKSA-N","9556296",NA,"PDBC18993","685849","Present"
-"3-((4-(Methylthio)phenoxy)methyl)-2-oxiranol","","","","","","","","","","","","","","","","","","","","3-((4-(Methylthio)phenoxy)methyl)-2-oxiranol","","CSC1=CC=C(C=C1)OCC2C(O2)O","UYBBRHDKOYCCIJ-UHFFFAOYSA-N","366923",NA,"PDBC18994","636087","Present"
-"3-((4-Amino-3-methoxy-1-naphthyl)diazenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, m-(4-amino-3-methoxy-1-naphthylazo)-","","COC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC(=CC=C3)S(=O)(=O)N)N","SWMNSABUWYKPAU-UHFFFAOYSA-N","248466",NA,"PDBC18995","65537","Present"
-"3-((4-Bromobenzyl)oxy)-N-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","3-((4-Bromobenzyl)oxy)-N-hydroxybenzamide","","C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Br)C(=O)NO","MGEKKIYVXAADOR-UHFFFAOYSA-N","392392",NA,"PDBC18996","692756","Present"
-"3-((4-Chloro-3-methylphenoxy)methyl)-10-methyl-10H-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","3-[(4-Chloro-3-methylphenoxy)methyl]-10-methyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide","","CC1=C(C=CC(=C1)OCC2=NN=C3N2S(=O)(=O)C4=CC=CC=C4N3C)Cl","JOWPBGJSSNYDJH-UHFFFAOYSA-N","341529",NA,"PDBC18997","373879","Present"
-"3-((4-Chlorophenyl)(6-hydroxy-1,3-benzodioxol-5-yl)methyl)-4-hydroxy-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3-((4-Chlorophenyl)(6-hydroxy-1,3-benzodioxol-5-yl)methyl)-4-hydroxy-2(5H)-furanone","","C1C(=C(C(=O)O1)C(C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3O)OCO4)O","RLIUCWGSAUIPRX-UHFFFAOYSA-N","54681651",NA,"PDBC18998","665494","Present"
-"3-((4-Methoxybenzylidene)amino)-2,4(1H,3H)-quinazolinedione","","","","","","","","","","","","","","","","","","","","3-((4-Methoxybenzylidene)amino)-2,4(1H,3H)-quinazolinedione","","COC1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O","ZTIFMGYGOGUMQK-LICLKQGHSA-N","9556314",NA,"PDBC18999","691078","Present"
-"3-((4-Pyridinylmethyl)amino)-1-propanol","","","","","","","","","","","","","","","","","","","","STK510925","","C1=CN=CC=C1CNCCCO","JCRHBJDXSHWFLX-UHFFFAOYSA-N","248486",NA,"PDBC19000","65652","Present"
-"3-((4-Toluidinocarbonyl)thio)propanoic acid","","","","","","","","","","","","","","","","","","","","3-[N-4-Methylphenylthiocarbamoyl)]-propanoic acid","","CC1=CC=C(C=C1)NC(=O)SCCC(=O)O","YWDRFDKLIWCOPF-UHFFFAOYSA-N","363906",NA,"PDBC19001","629294","Present"
-"3-((8-Quinolinylamino)carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-((8-Quinolinylamino)carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","C1CC2C(C(C1O2)C(=O)NC3=CC=CC4=C3N=CC=C4)C(=O)O","RDUVQHCMRVEVJK-UHFFFAOYSA-N","413333",NA,"PDBC19002","47106","Present"
-"3-((9,10-Dihydroanthracen-1-yl)diazenyl)-2-hydroxybenzoic acid","","","","","","","","","","","","","","","","","","","","3-((9,10-dioxo-2-sulfo-9,10-dihydroanthracen-1-yl)diazen...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)O)N=NC4=CC=CC(=C4O)C(=O)O","SGZIPXUJJLQYDT-UHFFFAOYSA-N","277275",NA,"PDBC19003","125908","Present"
-"3-((9H-Purin-6-ylthio)methyl)benzonitrile","","","","","","","","","","","","","","","","","","","","3-((9H-Purin-6-ylthio)methyl)benzonitrile","","C1=CC(=CC(=C1)C#N)CSC2=NC=NC3=C2NC=N3","GHBHZUFGNMVIQF-UHFFFAOYSA-N","386902",NA,"PDBC19004","679802","Present"
-"3-((Acetyloxy)methyl)-7b-hydroxy-9a-(isobutyryloxy)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa(3,4)benzo(1,2-e)azulen-9-yl 2,4-octadienoate","","","","","","","","","","","","","","","","","","","","deoxyphorbol, 20-o-acetyl-13-o-isobutyryl-12-o-(z,e)-2,4-","","CCCC=CC=CC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)C)OC(=O)C(C)C)COC(=O)C)C)O)C","OUVDYLSPZLYACO-LDHFCIDVSA-N","5477555",NA,"PDBC19005","329507","Present"
-"3-((Amino(imino)methyl)hydrazono)-2-((diisobutylamino)methyl)-N-(2,4-dimethylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Amino(imino)methyl)hydrazono)-2-((diisobutylamino)methyl)-N-(2,4-dimethylphenyl)butanamide","","CC1=CC(=C(C=C1)NC(=O)C(CN(CC(C)C)CC(C)C)C(=NN=C(N)N)C)C","HIEQIOSESZOSHU-NLRVBDNBSA-N","9571349",NA,"PDBC19006","647128","Present"
-"3-((Amino(imino)methyl)hydrazono)-N-(3-chloro-2-methylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Amino(imino)methyl)hydrazono)-N-(3-chloro-2-methylphenyl)butanamide","","CC1=C(C=CC=C1Cl)NC(=O)CC(=NN=C(N)N)C","ALBZJEQXIILZJS-REZTVBANSA-N","9571309",NA,"PDBC19007","641872","Present"
-"3-((Aminocarbonyl)amino)-4-hydroxy-5-iodophenylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-13161","","C1=C(C=C(C(=C1NC(=O)N)O)I)[As](=O)(O)O","FJBONOFRUWVUSD-UHFFFAOYSA-N","224575",NA,"PDBC19008","13161","Present"
-"3-((Aminocarbonyl)hydrazono)-2,5-bis(4-chlorophenyl)-4-oxohexanedinitrile","","","","","","","","","","","","","","","","","","","","3-((Aminocarbonyl)hydrazono)-2,5-bis(4-chlorophenyl)-4-oxohexanedinitrile","","C1=CC(=CC=C1C(C#N)C(=NNC(=O)N)C(=O)C(C#N)C2=CC=C(C=C2)Cl)Cl","OUYYAJBHQYUTQD-UQQQWYQISA-N","9570042",NA,"PDBC19009","635394","Present"
-"3-((Aminocarbonyl)hydrazono)-4-oxo-2,5-diphenylhexanedinitrile","","","","","","","","","","","","","","","","","","","","3-((Aminocarbonyl)hydrazono)-4-oxo-2,5-diphenylhexanedinitrile","","C1=CC=C(C=C1)C(C#N)C(=NNC(=O)N)C(=O)C(C#N)C2=CC=CC=C2","GBRSKFAVFMUQFI-QJOMJCCJSA-N","9570038",NA,"PDBC19010","635331","Present"
-"3-((Aminocarbonyl)hydrazono)-N-(2,4,5-trichlorophenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Aminocarbonyl)hydrazono)-N-(2,4,5-trichlorophenyl)butanamide","","CC(=NNC(=O)N)CC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl","JRVHNCBSQRBWBM-YAXRCOADSA-N","9571304",NA,"PDBC19011","641863","Present"
-"3-((Aminocarbonyl)hydrazono)-N-(2-(hydroxy(oxido)amino)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Aminocarbonyl)hydrazono)-N-(2-(hydroxy(oxido)amino)phenyl)butanamide","","CC(=NNC(=O)N)CC(=O)NC1=CC=CC=C1[N+](=O)[O-]","KBIIYBNZZZFXSP-VGOFMYFVSA-N","9555843",NA,"PDBC19012","641856","Present"
-"3-((Aminocarbonyl)hydrazono)-N-(3,4-dimethylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Aminocarbonyl)hydrazono)-N-(3,4-dimethylphenyl)butanamide","","CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)N)C)C","ISYRZTPFFRZIFH-MHWRWJLKSA-N","9571305",NA,"PDBC19013","641866","Present"
-"3-((Aminocarbonyl)hydrazono)-N-(4-(hydroxy(oxido)amino)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Aminocarbonyl)hydrazono)-N-(4-(hydroxy(oxido)amino)phenyl)butanamide","","CC(=NNC(=O)N)CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]","FBTUIVCIEVWLJG-VGOFMYFVSA-N","5923476",NA,"PDBC19014","641874","Present"
-"3-((Aminocarbothioyl)diazenyl)-N-(4-((3-((aminocarbothioyl)diazenyl)butanoyl)amino)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Aminocarbothioyl)diazenyl)-N-(4-((3-((aminocarbothioyl)diazenyl)butanoyl)amino)phenyl)butanamide","","CC(CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C)N=NC(=S)N)N=NC(=S)N","FLTJTMPAKBGLRM-UHFFFAOYSA-N","3004287",NA,"PDBC19015","642613","Present"
-"3-((Aminocarbothioyl)hydrazono)-2-((diethylamino)methyl)-N-(2,6-dimethylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Aminocarbothioyl)hydrazono)-2-((diethylamino)methyl)-N-(2,6-dimethylphenyl)butanamide","","CCN(CC)CC(C(=NNC(=S)N)C)C(=O)NC1=C(C=CC=C1C)C","XHWUYFYYKFGRCQ-KGENOOAVSA-N","9554725",NA,"PDBC19016","641843","Present"
-"3-((Aminocarbothioyl)hydrazono)-2-((diisobutylamino)methyl)-N-(2,4-dimethylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Aminocarbothioyl)hydrazono)-2-((diisobutylamino)methyl)-N-(2,4-dimethylphenyl)butanamide","","CC1=CC(=C(C=C1)NC(=O)C(CN(CC(C)C)CC(C)C)C(=NNC(=S)N)C)C","KKRQNXAZTCJKAZ-XIEYBQDHSA-N","9554730",NA,"PDBC19017","647125","Present"
-"3-((Aminocarbothioyl)hydrazono)-N-(2,3-dimethylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Aminocarbothioyl)hydrazono)-N-(2,3-dimethylphenyl)butanamide","","CC1=C(C(=CC=C1)NC(=O)CC(=NNC(=S)N)C)C","OXIDOPDFTGMABS-CXUHLZMHSA-N","9571311",NA,"PDBC19018","641875","Present"
-"3-((Aminocarbothioyl)hydrazono)-N-(3,4-dimethylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Aminocarbothioyl)hydrazono)-N-(3,4-dimethylphenyl)butanamide","","CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=S)N)C)C","JORBFIDVPZEENW-MHWRWJLKSA-N","9554726",NA,"PDBC19019","641848","Present"
-"3-((Aminocarbothioyl)hydrazono)-N-(3-chloro-2-methylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Aminocarbothioyl)hydrazono)-N-(3-chloro-2-methylphenyl)butanamide","","CC1=C(C=CC=C1Cl)NC(=O)CC(=NNC(=S)N)C","ZUHSVOQZBQPJQF-FRKPEAEDSA-N","9571307",NA,"PDBC19020","641869","Present"
-"3-((Aminocarbothioyl)hydrazono)-N-(4-chlorophenyl)butanamide","","","","","","","","","","","","","","","","","","","","STK044062","","CC(=NNC(=S)N)CC(=O)NC1=CC=C(C=C1)Cl","TZGCKCLIFHSVBW-VIZOYTHASA-N","5981635",NA,"PDBC19021","641845","Present"
-"3-((Aminocarbothioyl)hydrazono)-N-(4-methylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","(3E)-3-(carbamothioylhydrazono)-N-(p-tolyl)butanamide","","CC1=CC=C(C=C1)NC(=O)CC(=NNC(=S)N)C","QJAQWCKSIJWEKL-OQLLNIDSSA-N","9571306",NA,"PDBC19022","641867","Present"
-"3-((Aminocarbothioyl)hydrazono)-N-phenylbutanamide","","","","","","","","","","","","","","","","","","","","acetoacetanilide thiosemicarbazone","","CC(=NNC(=S)N)CC(=O)NC1=CC=CC=C1","KJXYWKHNGSPGLT-RIYZIHGNSA-N","6255911",NA,"PDBC19023","641864","Present"
-"3-((Benzyloxy)methyl)-7-methylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3-((Benzyloxy)methyl)-7-methylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione","","CC1=CSC2=C1NC(=O)N(C2=O)COCC3=CC=CC=C3","FOFNRUSBIDHFPY-UHFFFAOYSA-N","385458",NA,"PDBC19024","676696","Present"
-"3-((Cyanoacetyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","3-((Cyanoacetyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)butanamide","","CC(=NNC(=O)CC#N)CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]","VZRIKFDJDYBVCH-CXUHLZMHSA-N","9571303",NA,"PDBC19025","641862","Present"
-"3-((Cyclohexyloxy)methyl)-4,4-dimethyl-1,3-oxazolidine","","","","","","","","","","","","","","","","","","","","oxazolidine, 3-[(cyclohexyloxy)methyl]-4,4-dimethyl-","","CC1(COCN1COC2CCCCC2)C","RVHQEWPGKMOMPN-UHFFFAOYSA-N","327610",NA,"PDBC19026","303534","Present"
-"3-((Diallylamino)methyl)-1,3-benzothiazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","3-((Diallylamino)methyl)-1,3-benzothiazole-2(3H)-thione","","C=CCN(CC=C)CN1C2=CC=CC=C2SC1=S","ULYGKMLLNPMDMK-UHFFFAOYSA-N","376509",NA,"PDBC19027","657450","Present"
-"3-((Dimethylamino)(4-morpholinyl)methyl)-4-hydroxy-1,5-diphenyl-1,5-dihydro-2H-pyrrol-2-one","","","","","","","","","","","","","","","","","","","","3-((Dimethylamino)(4-morpholinyl)methyl)-4-hydroxy-1,5-diphenyl-1,5-dihydro-2H-pyrrol-2-one","","CN(C)C(C1=C(C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O)N4CCOCC4","MQHUSMJMGDZPKD-UHFFFAOYSA-N","54681649",NA,"PDBC19028","663787","Present"
-"3-((Dimethylamino)methyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine","","","","","","","","","","","","","","","","","","","","3-((Dimethylamino)methyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine","","CN(C)CC1=NSC(=N1)N(C)C","BRPCUNWSXFDLON-UHFFFAOYSA-N","332609",NA,"PDBC19029","330683","Present"
-"3-((Hydroxymethoxy)methyl)-3-buten-2-one","","","","","","","","","","","","","","","","","","","","3-(Hydroxymethoxymethyl)-3-butene-2-one","","CC(=O)C(=C)COCO","PFZCPPGGKUTDPG-UHFFFAOYSA-N","376773",NA,"PDBC19030","657833","Present"
-"3-((Tert-Butyl(diphenyl)silyl)oxy)-4-hydroxy-4-methylpentyl acetate","","","","","","","","","","","","","","","","","","","","3-((Tert-Butyl(diphenyl)silyl)oxy)-4-hydroxy-4-methylpentyl acetate","","CC(=O)OCCC(C(C)(C)O)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C","LSWSNIUFJLRSBD-UHFFFAOYSA-N","357858",NA,"PDBC19031","617391","Present"
-"3-((Tetrahydro-2H-pyran-2-yloxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazole","","","","","","","","","","","","","","","","","","","","3-((Tetrahydro-2H-pyran-2-yloxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazole","","C1CCOC(C1)OCC2=C3CCCN3N=N2","XHDNAHSIMDYOSP-UHFFFAOYSA-N","360959",NA,"PDBC19032","623687","Present"
-"3-(1,1-Dimethyl-2-propenyl)-2,6-dimethoxy-5-methyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","3-(1,1-Dimethyl-2-propenyl)-2,6-dimethoxy-5-methyl-4H-chromen-4-one","","CC1=C(C=CC2=C1C(=O)C(=C(O2)OC)C(C)(C)C=C)OC","VMTUXSKDRLSKQG-UHFFFAOYSA-N","380491",NA,"PDBC19033","666106","Present"
-"3-(1,1-Dimethylprop-2-ynoxy)-1-hydroxy-10-methyl-acridin-9-one","","","","","","","","","","","","","","","","","","","","3-(1,1-Dimethylprop-2-ynoxy)-1-hydroxy-10-methyl-acridin-9-one","","CC(C)(C#C)OC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2C","PIGHZUGIELAGHO-UHFFFAOYSA-N","5466993",NA,"PDBC19034","646652","Present"
-"3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-1-benzofuran-2(3H)-one","","","","","","","","","","","","","","","","","","","","3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-1-benzofuran-2(3H)-one","","COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)C(=O)C4=CC=C(C=C4)OC","MZLRPXKKFRFKOM-UHFFFAOYSA-N","370924",NA,"PDBC19035","644730","Present"
-"3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-5,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-5,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one","","COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","OZPIULLKZDKLQK-UHFFFAOYSA-N","366625",NA,"PDBC19036","635300","Present"
-"3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","CC1=CC(=CC2=C1NC(=O)C2(C(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC)O)Cl","APMKABRGHZKDQU-UHFFFAOYSA-N","366630",NA,"PDBC19037","635305","Present"
-"3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-6-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-6-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","CC1=C(C=CC2=C1NC(=O)C2(C(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC)O)Cl","KZYIIXMGQAFKGJ-UHFFFAOYSA-N","366678",NA,"PDBC19038","635395","Present"
-"3-(1,3-Benzodioxol-5-yl)-1-(2-(2-(hydroxy(oxido)amino)-4-methylanilino)-4-methyl-1,3-thiazol-5-yl)-2-propen-1-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","5-[(E)-C-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-N-(2,4-dinitroanilino)carbonimidoyl]-4-methyl-N-(4-methyl-2-nitrophenyl)-1,3-thiazol-2-amine","","CC1=CC(=C(C=C1)NC2=NC(=C(S2)C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=CC4=CC5=C(C=C4)OCO5)C)[N+](=O)[O-]","NWOVWQPMMWSTFW-VZKZHWFBSA-N","135499152",NA,"PDBC19039","640341","Present"
-"3-(1,3-Benzodioxol-5-yl)-1-methyl-5-phenyl-2-(2-thienyl)pyrrole","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzodioxol-5-yl)-1-methyl-5-phenyl-2-(2-thienyl)pyrrole","","CN1C(=CC(=C1C2=CC=CS2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5","YUVKZOYXWWKHGW-UHFFFAOYSA-N","395544",NA,"PDBC19040","700237","Present"
-"3-(1,3-Benzodioxol-5-yl)-1-methyl-5-phenyl-2-(3-thienyl)pyrrole","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzodioxol-5-yl)-1-methyl-5-phenyl-2-(3-thienyl)pyrrole","","CN1C(=CC(=C1C2=CSC=C2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5","QHGDCDOZSYUKSH-UHFFFAOYSA-N","395549",NA,"PDBC19041","700242","Present"
-"3-(1,3-Benzodioxol-5-yl)-2-bromopropanoic acid","","","","","","","","","","","","","","","","","","","","BRKWOWUERBURAB-UHFFFAOYSA-N","","C1OC2=C(O1)C=C(C=C2)CC(C(=O)O)Br","BRKWOWUERBURAB-UHFFFAOYSA-N","357762",NA,"PDBC19042","617285","Present"
-"3-(1,3-Benzodioxol-5-yl)-2-oxopropanoic acid","","","","","","","","","","","","","","","","","","","","AKMUYFNCIDWIQH-UHFFFAOYSA-N","","C1OC2=C(O1)C=C(C=C2)CC(=O)C(=O)O","AKMUYFNCIDWIQH-UHFFFAOYSA-N","270517",NA,"PDBC19043","112983","Present"
-"3-(1,3-Benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-1H-pyrazole","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-1H-pyrazole","","C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=CC(=C(C=C4Cl)Cl)F","ATSCONPRNWXNPY-UHFFFAOYSA-N","402001",NA,"PDBC19044","715690","Present"
-"3-(1,3-Benzodioxol-5-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzodioxol-5-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide","","COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=S)N","YIAVSFNBFYHMDE-UHFFFAOYSA-N","57338407",NA,"PDBC19045","753925","Present"
-"3-(1,3-Benzodioxol-5-yl)-N-(2-(2-furyl)ethyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzodioxol-5-yl)-N-(2-(2-furyl)ethyl)acrylamide","","C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCCC3=CC=CO3","KOMQUBVHUDFUIR-GQCTYLIASA-N","5469852",NA,"PDBC19046","693418","Present"
-"3-(1,3-Benzodioxol-5-ylimino)-5-bromo-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzodioxol-5-ylimino)-5-bromo-1H-indol-2-one","","C1OC2=C(O1)C=C(C=C2)N=C3C4=C(C=CC(=C4)Br)NC3=O","VJVKYOFFNJXOFG-UHFFFAOYSA-N","135452427",NA,"PDBC19047","201438","Present"
-"3-(1,3-Benzodioxol-5-ylmethyl)-7-(2,4-dichloro-5-fluorophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzodioxol-5-ylmethyl)-7-(2,4-dichloro-5-fluorophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","C1OC2=C(O1)C=C(C=C2)CC3=NN=C4N(C3=O)N=C(S4)C5=CC(=C(C=C5Cl)Cl)F","ZXAJNEUHNSYXDT-UHFFFAOYSA-N","11408343",NA,"PDBC19048","726303","Present"
-"3-(1,3-Benzodioxol-5-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzodioxol-5-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol","","C1OC2=C(O1)C=C(C=C2)C=NC3C(C(C(OC3O)CO)O)O","UIYDBYNUALKLFL-UHFFFAOYSA-N","251176",NA,"PDBC19049","71426","Present"
-"3-(1,3-Benzothiazol-2-yl)-2-oxo-N-(2-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-2-oxo-N-(2-(trifluoromethyl)phenyl)propanamide","","C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","HAYNGZFAMRNCBH-UHFFFAOYSA-N","367755",NA,"PDBC19050","637694","Present"
-"3-(1,3-Benzothiazol-2-yl)-2-oxo-N-(3-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-2-oxo-N-(3-(trifluoromethyl)phenyl)propanamide","","C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F","GQAUMDQDRZXYCL-UHFFFAOYSA-N","360721",NA,"PDBC19051","623057","Present"
-"3-(1,3-Benzothiazol-2-yl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-2-oxopropanamide","","C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)N","RMUBVXKTSWBOKI-UHFFFAOYSA-N","366695",NA,"PDBC19052","635412","Present"
-"3-(1,3-Benzothiazol-2-yl)-3-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-3-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropanamide","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=NC4=CC=CC=C4S3","UVGQCQNVEBLCAY-UHFFFAOYSA-N","364758",NA,"PDBC19053","631517","Present"
-"3-(1,3-Benzothiazol-2-yl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=NC4=CC=CC=C4S3)N)[O-]","XFAFGNKJSVBNAF-UHFFFAOYSA-N","135435499",NA,"PDBC19054","621505","Present"
-"3-(1,3-Benzothiazol-2-yl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=NC4=CC=CC=C4S3)N)[O-]","LMAPNZRKSOMDLH-UHFFFAOYSA-N","135503394",NA,"PDBC19055","621738","Present"
-"3-(1,3-Benzothiazol-2-yl)-N-(2,4-dichlorophenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-N-(2,4-dichlorophenyl)-2-oxopropanamide","","C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","ZIKDMKNLTQACCA-UHFFFAOYSA-N","360701",NA,"PDBC19056","623037","Present"
-"3-(1,3-Benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-2-oxopropanamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","KEMSPLZRXSXMQA-UHFFFAOYSA-N","360994",NA,"PDBC19057","623726","Present"
-"3-(1,3-Benzothiazol-2-yl)-N-(2-ethoxyphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-N-(2-ethoxyphenyl)-2-oxopropanamide","","CCOC1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","RWELTKNQSGFVBV-UHFFFAOYSA-N","360719",NA,"PDBC19058","623055","Present"
-"3-(1,3-Benzothiazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide","","CCC1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)C","HBAKRMUVDKHXIM-UHFFFAOYSA-N","360702",NA,"PDBC19059","623038","Present"
-"3-(1,3-Benzothiazol-2-yl)-N-(2-isopropylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-N-(2-isopropylphenyl)-2-oxopropanamide","","CC(C)C1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","IRXIJDMXOMQVBU-UHFFFAOYSA-N","360706",NA,"PDBC19060","623042","Present"
-"3-(1,3-Benzothiazol-2-yl)-N-(2-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-N-(2-methylphenyl)-2-oxopropanamide","","CC1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","ADDWUSDTDDHDPL-UHFFFAOYSA-N","367756",NA,"PDBC19061","637695","Present"
-"3-(1,3-Benzothiazol-2-yl)-N-(2-sec-butyl-6-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-N-(2-sec-butyl-6-methylphenyl)-2-oxopropanamide","","CCC(C)C1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)C","PDJLSVCTOBJODT-UHFFFAOYSA-N","366513",NA,"PDBC19062","635122","Present"
-"3-(1,3-Benzothiazol-2-yl)-N-(2-tert-butyl-6-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-N-(2-tert-butyl-6-methylphenyl)-2-oxopropanamide","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","MWHUHOUWYYCZJK-UHFFFAOYSA-N","360705",NA,"PDBC19063","623041","Present"
-"3-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-2-oxopropanamide","","C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=CC=C(C=C3)Cl","JWMLBTZZDYIFMG-UHFFFAOYSA-N","361002",NA,"PDBC19064","623734","Present"
-"3-(1,3-Benzothiazol-2-yl)phenol","","","","","","","","","","","","","","","","","","","","C13H9NOS","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)O","JIWVTDBBMGSTFI-UHFFFAOYSA-N","242605",NA,"PDBC19065","51369","Present"
-"3-(1,3-Benzothiazol-2-yl)quinoxalin-2-amine 1,4-dioxide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzothiazol-2-yl)quinoxalin-2-amine 1,4-dioxide","","C1=CC=C2C(=C1)N=C(S2)C3=[N+](C4=CC=CC=C4[N+](=C3N)[O-])[O-]","RZZQVVAFYJWGAT-UHFFFAOYSA-N","135483923",NA,"PDBC19066","621494","Present"
-"3-(1,3-Benzoxazol-2-yl)-2-oxo-N-(2-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-2-oxo-N-(2-(trifluoromethyl)phenyl)propanamide","","C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2","NHIQOMWPRPNUAZ-UHFFFAOYSA-N","360726",NA,"PDBC19067","623062","Present"
-"3-(1,3-Benzoxazol-2-yl)-2-oxo-N-(3-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-2-oxo-N-(3-(trifluoromethyl)phenyl)propanamide","","C1=CC=C2C(=C1)N=C(O2)CC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F","JPAZVODSXPOEKV-UHFFFAOYSA-N","361001",NA,"PDBC19068","623733","Present"
-"3-(1,3-Benzoxazol-2-yl)-4,6-bis(4-chlorophenyl)pyridin-2-amine","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-4,6-bis(4-chlorophenyl)pyridin-2-amine","","C1=CC=C2C(=C1)N=C(O2)C3=C(N=C(C=C3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)N","MOTJCNWJLQCVDU-UHFFFAOYSA-N","24206035",NA,"PDBC19069","737746","Present"
-"3-(1,3-Benzoxazol-2-yl)-4-(4-chlorophenyl)-6-phenylpyridin-2-amine","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-4-(4-chlorophenyl)-6-phenylpyridin-2-amine","","C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5O4)N","RDGLDIVYCYIZGG-UHFFFAOYSA-N","24206033",NA,"PDBC19070","737744","Present"
-"3-(1,3-Benzoxazol-2-yl)-6-(4-chlorophenyl)-4-phenylpyridin-2-amine","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-6-(4-chlorophenyl)-4-phenylpyridin-2-amine","","C1=CC=C(C=C1)C2=CC(=NC(=C2C3=NC4=CC=CC=C4O3)N)C5=CC=C(C=C5)Cl","DDGHRWTZWIKUIX-UHFFFAOYSA-N","24206034",NA,"PDBC19071","737745","Present"
-"3-(1,3-Benzoxazol-2-yl)-N-(2,4-dichlorophenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-N-(2,4-dichlorophenyl)-2-oxopropanamide","","C1=CC=C2C(=C1)N=C(O2)CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","BXWRMQVHOPFRQY-UHFFFAOYSA-N","367757",NA,"PDBC19072","637696","Present"
-"3-(1,3-Benzoxazol-2-yl)-N-(2,4-dimethylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-N-(2,4-dimethylphenyl)-2-oxopropanamide","","CC1=CC(=C(C=C1)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2)C","KNKWXSZWEOAKKP-UHFFFAOYSA-N","366717",NA,"PDBC19073","635433","Present"
-"3-(1,3-Benzoxazol-2-yl)-N-(2,6-diethylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-N-(2,6-diethylphenyl)-2-oxopropanamide","","CCC1=C(C(=CC=C1)CC)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2","JWONMAMNWJAPOL-UHFFFAOYSA-N","366706",NA,"PDBC19074","635423","Present"
-"3-(1,3-Benzoxazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide","","CCC1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3O2)C","SOPKGDXOQICGIZ-UHFFFAOYSA-N","366712",NA,"PDBC19075","635428","Present"
-"3-(1,3-Benzoxazol-2-yl)-N-(2-sec-butyl-6-ethylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-N-(2-sec-butyl-6-ethylphenyl)-2-oxopropanamide","","CCC1=C(C(=CC=C1)C(C)CC)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2","QSMIRHYSRGDBOV-UHFFFAOYSA-N","366534",NA,"PDBC19076","635143","Present"
-"3-(1,3-Benzoxazol-2-yl)-N-(3-chlorophenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-N-(3-chlorophenyl)-2-oxopropanamide","","C1=CC=C2C(=C1)N=C(O2)CC(=O)C(=O)NC3=CC(=CC=C3)Cl","GLILGTPOPWELJG-UHFFFAOYSA-N","360704",NA,"PDBC19077","623040","Present"
-"3-(1,3-Benzoxazol-2-yl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2","FITCDFQNYHLDFA-UHFFFAOYSA-N","366514",NA,"PDBC19078","635123","Present"
-"3-(1,3-Benzoxazol-2-yl)piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","3-(1,3-Benzoxazol-2-yl)piperidine-2,6-dione","","C1CC(=O)NC(=O)C1C2=NC3=CC=CC=C3O2","BPJJXIGYEZKQKP-UHFFFAOYSA-N","365992",NA,"PDBC19079","634158","Present"
-"3-(1,3-Dibromo-2-oxocycloheptyl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(1,3-Dibromo-2-oxocycloheptyl)propanoic acid","","C1CCC(C(=O)C(C1)Br)(CCC(=O)O)Br","CRVUUUNYECMFEJ-UHFFFAOYSA-N","364668",NA,"PDBC19080","631298","Present"
-"3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-3-(4-fluorophenyl)-N,N-dimethylpropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-3-(4-fluorophenyl)-N,N-dimethylpropanamide","","CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=C(C=C2)F)C(C(=O)N(C)C)(F)F","PMLQPWXQROUZAI-UHFFFAOYSA-N","395446",NA,"PDBC19081","699991","Present"
-"3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-3-(4-methoxyphenyl)-N,N-dimethylpropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-3-(4-methoxyphenyl)-N,N-dimethylpropanamide","","CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=C(C=C2)OC)C(C(=O)N(C)C)(F)F","FVEWSMZCYSUNCJ-UHFFFAOYSA-N","395450",NA,"PDBC19082","699995","Present"
-"3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-(4-methylphenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-(4-methylphenyl)propanamide","","CC1=CC=C(C=C1)C(C2C(=O)N(C(=O)N(C2=O)C)C)C(C(=O)N(C)C)(F)F","ABPVWQZXEGYKQC-UHFFFAOYSA-N","395449",NA,"PDBC19083","699994","Present"
-"3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide","","CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=C(C=C2)C(F)(F)F)C(C(=O)N(C)C)(F)F","UJHMTYAZLDVNIW-UHFFFAOYSA-N","395447",NA,"PDBC19084","699992","Present"
-"3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-phenylpropanamide","","CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=CC=C2)C(C(=O)N(C)C)(F)F","SEFJSXGWMWKYCR-UHFFFAOYSA-N","395445",NA,"PDBC19085","699990","Present"
-"3-(1,3-Dimethylbenzimidazol-3-ium-2-yl)aniline;iodide","","","","","","","","","","","","","","","","","","","","NSC692416","","CN1C2=CC=CC=C2[N+](=C1C3=CC(=CC=C3)N)C.[I-]","CVMNNOIYCXJUSC-UHFFFAOYSA-M","392279",NA,"PDBC19086","692416","Present"
-"3-(1,3-Dioxobenzo[f]isoindol-2-yl)propyl-[6-[3-(1,3-dioxobenzo[f]isoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;bromide","","","","","","","","","","","","","","","","","","","","3-(1,3-Dioxobenzo[f]isoindol-2-yl)propyl-[6-[3-(1,3-dioxobenzo[f]isoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;bromide","","C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O)CCCN4C(=O)C5=CC6=CC=CC=C6C=C5C4=O.[Br-]","PTSPHSCTAHZSMP-UHFFFAOYSA-M","405249",NA,"PDBC19087","722362","Present"
-"3-(1,3-Dioxobenzo[f]isoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;bromide","","","","","","","","","","","","","","","","","","","","3-(1,3-Dioxobenzo[f]isoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;bromide","","C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O)CCCN4C(=O)C5=CC=CC=C5C4=O.[Br-]","HXSVGNYKKWPNKS-UHFFFAOYSA-M","405253",NA,"PDBC19088","722364","Present"
-"3-(1,3-Dioxobutyl)oxazolidin-2-one","","","","","","","","","","","","","","","","","","","","3-(1,3-Dioxobutyl)oxazolidin-2-one","","CC(=O)CC(=O)N1CCOC1=O","GDGGLKMFUADUEH-UHFFFAOYSA-N","379157",NA,"PDBC19089","663571","Present"
-"3-(1,3-Dioxolan-2-yl)-2-pyridinecarbaldehyde O-benzyloxime","","","","","","","","","","","","","","","","","","","","3-(1,3-Dioxolan-2-yl)-2-pyridinecarbaldehyde O-benzyloxime","","C1COC(O1)C2=C(N=CC=C2)C=NOCC3=CC=CC=C3","LLFWRPKMXCBPGE-WOJGMQOQSA-N","9555871",NA,"PDBC19090","644870","Present"
-"3-(1,3-Dioxolan-2-yl)-2-pyridinecarbaldehyde oxime","","","","","","","","","","","","","","","","","","","","3-(1,3-Dioxolan-2-yl)-2-pyridinecarbaldehyde oxime","","C1COC(O1)C2=C(N=CC=C2)C=NO","ABUPZXMWHMPKOA-IZZDOVSWSA-N","135499209",NA,"PDBC19091","644869","Present"
-"3-(1,3-Oxazol-5-yl)propan-1-ol","","","","","","","","","","","","","","","","","","","","5-Oxazolepropanol","","C1=C(OC=N1)CCCO","LQWMUZPSOMBRRG-UHFFFAOYSA-N","358997",NA,"PDBC19092","619209","Present"
-"3-(1,4-Benzodioxin-2-yl)-4H-1,4-benzoxazine-4-carboxylic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","Tert-butyl 3-(1,4-benzodioxin-2-yl)-4h-1,4-benzoxazine-4-carboxylate","","CC(C)(C)OC(=O)N1C2=CC=CC=C2OC=C1C3=COC4=CC=CC=C4O3","ZYEQQXPVBVLSCZ-UHFFFAOYSA-N","402896",NA,"PDBC19093","717213","Present"
-"3-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(S(=O)(=O)CC3=O)C4=CC(=CC=C4)OC5=CC=CC=C5","ARDRUFYZKSGRPW-UHFFFAOYSA-N","402963",NA,"PDBC19094","717371","Present"
-"3-(1,5-Diphenylpyrazol-3-yl)-1,5-diphenylpyrazole","","","","","","","","","","","","","","","","","","","","C30H22N4","","C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C4=NN(C(=C4)C5=CC=CC=C5)C6=CC=CC=C6","FKQHQXPHXKOCFM-UHFFFAOYSA-N","388122",NA,"PDBC19095","682587","Present"
-"3-(1,5-Oxazocan-5-yl)-3-oxopropanenitrile","","","","","","","","","","","","","","","","","","","","3-(1,5-Oxazocan-5-yl)-3-oxopropanenitrile","","C1CN(CCCOC1)C(=O)CC#N","RKQRONUUYACSDX-UHFFFAOYSA-N","366789",NA,"PDBC19096","635562","Present"
-"3-(1,7-Dimethyl-2-oxobicyclo[2.2.1]hept-7-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-(1,7-Dimethyl-2-oxobicyclo[2.2.1]hept-7-yl)propanamide","","CC12CCC(C1(C)CCC(=O)N)CC2=O","DWICYZHZJVAJOC-UHFFFAOYSA-N","388758",NA,"PDBC19097","683836","Present"
-"3-(1-((2-(Bis(2-((1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethyl)amino)ethyl)amino)ethyl)amino)ethylidene)-6-methyl-2H-pyran-2,4(3H)-dione","","","","","","","","","","","","","","","","","","","","3-[N-[2-[Bis[2-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]ethyl]amino]ethyl]-C-methylcarbonimidoyl]-4-hydroxy-6-methylpyran-2-one","","CC1=CC(=C(C(=O)O1)C(=NCCN(CCN=C(C)C2=C(C=C(OC2=O)C)O)CCN=C(C)C3=C(C=C(OC3=O)C)O)C)O","PKIHKYCXKMIZFB-UHFFFAOYSA-N","135409138",NA,"PDBC19098","658994","Present"
-"3-(1-((Diethylamino)methyl)vinyl)-3-phenyl-2-oxaspiro[4.4]nonan-1-one","","","","","","","","","","","","","","","","","","","","3-(1-((Diethylamino)methyl)vinyl)-3-phenyl-2-oxaspiro[4.4]nonan-1-one","","CCN(CC)CC(=C)C1(CC2(CCCC2)C(=O)O1)C3=CC=CC=C3","GAHVIFHJGZDKLS-UHFFFAOYSA-N","380242",NA,"PDBC19099","665721","Present"
-"3-(1-((Dimethylamino)methyl)vinyl)-3-phenyl-2-oxaspiro[4.4]nonan-1-one","","","","","","","","","","","","","","","","","","","","3-(1-((Dimethylamino)methyl)vinyl)-3-phenyl-2-oxaspiro[4.4]nonan-1-one","","CN(C)CC(=C)C1(CC2(CCCC2)C(=O)O1)C3=CC=CC=C3","XHYMRNJDAMIDQE-UHFFFAOYSA-N","380252",NA,"PDBC19100","665732","Present"
-"3-(1-(2,4-Bis(hydroxy(oxido)amino)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl)-N-(2-(hydroxy(oxido)amino)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[2-(2,4-Dinitrophenyl)-5-(4-hydroxy-3-methoxyphenyl)pyrazol-3-yl]-N-(2-nitrophenyl)propanamide","","COC1=C(C=CC(=C1)C2=NN(C(=C2)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O","YCAYOHUUPHXTMH-UHFFFAOYSA-N","364861",NA,"PDBC19101","631674","Present"
-"3-(1-(2,4-Bis(hydroxy(oxido)amino)phenyl)-5-(2-furyl)-1H-pyrazol-3-yl)-N-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-(1-(2,4-Bis(hydroxy(oxido)amino)phenyl)-5-(2-furyl)-1H-pyrazol-3-yl)-N-phenylpropanamide","","C1=CC=C(C=C1)NC(=O)CCC2=NN(C(=C2)C3=CC=CO3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","XKFYPELUQORZIP-UHFFFAOYSA-N","364294",NA,"PDBC19102","630312","Present"
-"3-(1-(Methoxycarbonyl)-5,6,7,8-tetrahydro-2-naphthalenyl)-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propanoic acid","","","","","","","","","","","","","","","","","","","","2-[(5-Methoxycarbonyltetralin-6-yl)methyl]-3-tetralin-6-yl-propanoic acid","","COC(=O)C1=C(C=CC2=C1CCCC2)CC(CC3=CC4=C(CCCC4)C=C3)C(=O)O","FHZMLZLDKUHDSZ-UHFFFAOYSA-N","385654",NA,"PDBC19103","677000","Present"
-"3-(1-Acetoxy-2,2-dicyano-vinyl)pyrazine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(1-Acetoxy-2,2-dicyano-vinyl)pyrazine-2-carboxylic acid","","CC(=O)OC(=C(C#N)C#N)C1=NC=CN=C1C(=O)O","IEBFIQPZCYVYQF-UHFFFAOYSA-N","389468",NA,"PDBC19104","685677","Present"
-"3-(1-Acetyl-1H-indol-3-yl)-2-(dimethoxyphosphoryl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(1-Acetyl-1H-indol-3-yl)-2-(dimethoxyphosphoryl)propanoic acid","","CC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)P(=O)(OC)OC","YFNHPYZYAIMGFD-UHFFFAOYSA-N","382171",NA,"PDBC19105","669630","Present"
-"3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanamide","","","","","","","","","","","","","","","","","","","","3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanamide","","CC(C1=CC=CC=C1)NC(CC23CC4CC(C2)CC(C4)C3)C(=O)N","QPOBRHWTGGAIQD-UHFFFAOYSA-N","382214",NA,"PDBC19106","669672","Present"
-"3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanenitrile","","","","","","","","","","","","","","","","","","","","3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanenitrile","","CC(C1=CC=CC=C1)NC(CC23CC4CC(C2)CC(C4)C3)C#N","ZFTNCQDAADYNFW-UHFFFAOYSA-N","382213",NA,"PDBC19107","669671","Present"
-"3-(1-Adamantyl)-2-aminopropanamide;sulfuric acid","","","","","","","","","","","","","","","","","","","","NSC669673","","C1C2CC3CC1CC(C2)(C3)CC(C(=O)N)N.OS(=O)(=O)O","PIVFDGDWQMUYAP-UHFFFAOYSA-N","382215",NA,"PDBC19108","669673","Present"
-"3-(1-Adamantyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-(1-Adamantyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione","","C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC=C(C=C5)Cl","IGAXOKSDONAODE-UHFFFAOYSA-N","3004972",NA,"PDBC19109","665951","Present"
-"3-(1-Adamantyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3-(1-Adamantyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole","","CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4","IMNKJHBJYZCQPB-UHFFFAOYSA-N","379483",NA,"PDBC19110","664146","Present"
-"3-(1-Adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3-(1-Adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole","","CN1C(=NN=C1SCC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4","SOTOLHCANNLUAD-UHFFFAOYSA-N","380430",NA,"PDBC19111","665953","Present"
-"3-(1-Adamantyl)-6-(2-chloro-4-nitro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-(1-Adamantyl)-6-(2-chloro-4-nitro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C6=C(C=C(C=C6)[N+](=O)[O-])Cl","VYXVFKYNZFJYKO-UHFFFAOYSA-N","380433",NA,"PDBC19112","665956","Present"
-"3-(1-Adamantylamino)-1-phenylpropane","","","","","","","","","","","","","","","","","","","","3-(1-Adamantylamino)-1-phenylpropane","","C1C2CC3CC1CC(C2)(C3)NCCC(=O)C4=CC=CC=C4","UHONZWXJELFMEX-UHFFFAOYSA-N","363844",NA,"PDBC19113","629109","Present"
-"3-(1-Adamantylamino)-1-phenylpropanol","","","","","","","","","","","","","","","","","","","","3-(1-Adamantylamino)-1-phenylpropanol","","C1C2CC3CC1CC(C2)(C3)NCCC(C4=CC=CC=C4)O","XXBRJGCJCMOIFO-UHFFFAOYSA-N","363845",NA,"PDBC19114","629110","Present"
-"3-(1-Adamantylamino)-2-hydroxy-5H-chromeno[3,4-b]pyrazin-5-one","","","","","","","","","","","","","","","","","","","","3-(1-Adamantylamino)-2-hydroxy-5H-chromeno[3,4-b]pyrazin-5-one","","C1C2CC3CC1CC(C2)(C3)NC4=NC5=C(C6=CC=CC=C6OC5=O)NC4=O","LCRTYFSWUXCOCY-UHFFFAOYSA-N","374858",NA,"PDBC19115","653318","Present"
-"3-(1-Anilinoethylidene)-5-benzylpyrrolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","TN 16","","CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC=CC=C3)O","IHXKJZIDPGITHW-UHFFFAOYSA-N","135427136",NA,"PDBC19116","100445","Present"
-"3-(1-Aza-2-phenylvinyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-(1-aza-2-phenylvinyl)-6-iodo-2-(2-thienyl)-3H-quinazol...","","C1=CC=C(C=C1)C=NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4","NGQLVJFUGVELDC-CIAFOILYSA-N","9572590",NA,"PDBC19117","721279","Present"
-"3-(1-Azocanyl)-3-oxopropanenitrile","","","","","","","","","","","","","","","","","","","","3-(1-Azocanyl)-3-oxopropanenitrile","","C1CCCN(CCC1)C(=O)CC#N","HZCRGFDFWGXXQR-UHFFFAOYSA-N","366787",NA,"PDBC19118","635560","Present"
-"3-(1-Benzyl-2-methylbenzimidazol-5-yl)-2-(4-fluorophenyl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-(1-Benzyl-2-methyl-1H-benzoimidazol-5-yl)-2-(4-fluoro-...","","CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)N4C(=NC5=CC=CC=C5C4=O)C6=CC=C(C=C6)F","UBXQSLKWRYFXKT-UHFFFAOYSA-N","155816918",NA,"PDBC19119","787832","Present"
-"3-(1-Benzylindol-3-yl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(1-Benzylindol-3-yl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C4=[N+](C5=CC=CC=C5[N+](=C4N)[O-])[O-]","AVWGGPROOXZZKC-UHFFFAOYSA-N","135484712",NA,"PDBC19120","621717","Present"
-"3-(1-Methyl-1H-indol-3-yl)-4-[[6,7,8,9-tetrahydro-12-methyl-7beta,8alpha-(methaniminomethano)pyrido[1,2-a]indol]-10-yl]-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","NSC767276///NSC767289","","CN1CC2CC3=C(C4=CC=CC=C4N3CC2C1)C5=C(C(=O)NC5=O)C6=CN(C7=CC=CC=C76)C","SAYMBMAHSBYKKR-DLBZAZTESA-N","44274749",NA,"PDBC19121","767276///767289","Present"
-"3-(1-Oxidopyridin-1-ium-4-yl)-2-oxo-N-(2,4,5-trichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(1-Oxidopyridin-1-ium-4-yl)-2-oxo-N-(2,4,5-trichlorophenyl)propanamide","","C1=C[N+](=CC=C1CC(=O)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)[O-]","MMDKSFKKIQLTSI-UHFFFAOYSA-N","371846",NA,"PDBC19122","646365","Present"
-"3-(1-Oxidopyridin-1-ium-4-yl)-2-oxo-N-(p-tolyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(1-Oxidopyridin-1-ium-4-yl)-2-oxo-N-(p-tolyl)propanamide","","CC1=CC=C(C=C1)NC(=O)C(=O)CC2=CC=[N+](C=C2)[O-]","VHBAZVJBGGEPQK-UHFFFAOYSA-N","371840",NA,"PDBC19123","646358","Present"
-"3-(1-Oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(1-Oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)-2-benzofuran-1(3H)-one","","C1CC2=CC3=C(C=C2C1)C(=O)C(C3)C4C5=CC=CC=C5C(=O)O4","LOZFWKHORUZFAE-UHFFFAOYSA-N","382683",NA,"PDBC19124","670331","Present"
-"3-(1-Oxo-1,2,3,6,7,8-hexahydro-as-indacen-2-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(1-Oxo-1,2,3,6,7,8-hexahydro-as-indacen-2-yl)-2-benzofuran-1(3H)-one","","C1CC2=C(C1)C3=C(CC(C3=O)C4C5=CC=CC=C5C(=O)O4)C=C2","AMJPNPLLTGFUIC-UHFFFAOYSA-N","385675",NA,"PDBC19125","677021","Present"
-"3-(1-Oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-2-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(1-Oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-2-yl)-2-benzofuran-1(3H)-one","","C1CCC2=C(C1)C=CC3=C2C(=O)C(C3)C4C5=CC=CC=C5C(=O)O4","AKBGLPRWJDGEQF-UHFFFAOYSA-N","382684",NA,"PDBC19126","670332","Present"
-"3-(1-Oxo-2,3-dihydro-1H-cyclopenta[a]naphthalen-2-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(1-Oxo-2,3-dihydro-1H-cyclopenta[a]naphthalen-2-yl)-2-benzofuran-1(3H)-one","","C1C(C(=O)C2=C1C=CC3=CC=CC=C32)C4C5=CC=CC=C5C(=O)O4","YRXLZWFGILAHIR-UHFFFAOYSA-N","393830",NA,"PDBC19127","696651","Present"
-"3-(1-Oxo-2-indanyl)-phthalid","","","","","","","","","","","","","","","","","","","","3-(1-Oxo-2-indanyl)-phthalid","","C1C(C(=O)C2=CC=CC=C21)C3C4=CC=CC=C4C(=O)O3","ZWKQKSLGBZLXER-UHFFFAOYSA-N","385691",NA,"PDBC19128","677037","Present"
-"3-(1-Phenyl-4-pentenyloxy)-4-(4-chlorophenyl)thiazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-3-(1-phenylpent-4-enoxy)thiazole-2-thione","","C=CCCC(C1=CC=CC=C1)ON2C(=CSC2=S)C3=CC=C(C=C3)Cl","KWTGPNZAKZACBM-UHFFFAOYSA-N","398021",NA,"PDBC19129","707094","Present"
-"3-(1-Piperidinylcarbothioyl)-1H-indole","","","","","","","","","","","","","","","","","","","","STL421215","","C1CCN(CC1)C(=S)C2=CNC3=CC=CC=C32","CENUPWPJGBFRJM-UHFFFAOYSA-N","391441",NA,"PDBC19130","690645","Present"
-"3-(1-Piperidinylmethyl)-5-(1,1,3,3-tetramethylbutyl)-1,2-benzenediol","","","","","","","","","","","","","","","","","","","","3-(1-Piperidinylmethyl)-5-(1,1,3,3-tetramethylbutyl)-1,2-benzenediol","","CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCCCC2","RTSMCCDWYFYEBH-UHFFFAOYSA-N","223191",NA,"PDBC19131","10580","Present"
-"3-(1-Piperidinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","3-(1-Piperidinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone","","C1CCN(CC1)CN2C(=O)C(=CC3=CC=CS3)NC2=S","FHXQLYZETHOSEY-XFXZXTDPSA-N","5469476",NA,"PDBC19132","688939","Present"
-"3-(1-adamantyl)-N,5-diphenyl-thiazolidin-2-imine","","","","","","","","","","","","","","","","","","","","3-(1-adamantyl)-N,5-diphenyl-thiazolidin-2-imine","","C1C2CC3CC1CC(C2)(C3)N4CC(SC4=NC5=CC=CC=C5)C6=CC=CC=C6","KHYPIIHHYPGAMH-UHFFFAOYSA-N","385323",NA,"PDBC19133","676440","Present"
-"3-(15-Diazenylidene)-2-oxopropyl benzoate","","","","","","","","","","","","","","","","","","","","3-(Benzoyloxy)-1-diazonioprop-1-en-2-olate","","C1=CC=C(C=C1)C(=O)OCC(=O)C=[N+]=[N-]","GMJMNKVTGUOZQW-UHFFFAOYSA-N","243773",NA,"PDBC19134","53935","Present"
-"3-(1H-Benzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","3-(1H-benzo[d]imidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-...","","COC1=CC(=CC(=C1OC)OC)C2=C3C(=CC(=N2)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6N3","AHQIBKSTSOGTMK-UHFFFAOYSA-N","155811194",NA,"PDBC19135","765815","Present"
-"3-(1H-Benzimidazol-2-yl)-4-[2-(6-hydroxy-4,7-dimethoxy-benzofuran-5-yl)-2-oxo-ethyl]-2-imino-5-methoxy-8-methyl-3,4-dihydropyrano[3,2-g]chromen-6-one","","","","","","","","","","","","","","","","","","","","3-(1H-Benzimidazol-2-yl)-4-[2-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-2-oxoethyl]-2-imino-5-methoxy-8-methyl-3,4-dihydropyrano[3,2-g]chromen-6-one","","CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(=N)C(C3CC(=O)C4=C(C5=C(C(=C4O)OC)OC=C5)OC)C6=NC7=CC=CC=C7N6)OC","RFQPFMXLAHEOKE-UHFFFAOYSA-N","394304",NA,"PDBC19136","697671","Present"
-"3-(1H-Benzimidazol-2-yl)-5-(4-chlorophenyl)-1,2-oxazole","","","","","","","","","","","","","","","","","","","","3-(1H-Benzimidazol-2-yl)-5-(4-chlorophenyl)-1,2-oxazole","","C1=CC=C2C(=C1)NC(=N2)C3=NOC(=C3)C4=CC=C(C=C4)Cl","VTIFIFSYELXOCM-UHFFFAOYSA-N","402404",NA,"PDBC19137","716335","Present"
-"3-(1H-Benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1,2-oxazole","","","","","","","","","","","","","","","","","","","","3-(1H-Benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1,2-oxazole","","CSC1=CC=C(C=C1)C2=CC(=NO2)C3=NC4=CC=CC=C4N3","BFYBEALWSDNFBZ-UHFFFAOYSA-N","402405",NA,"PDBC19138","716336","Present"
-"3-(1H-Benzimidazol-2-yl)chromen-2-imine","","","","","","","","","","","","","","","","","","","","STK027543","","C1=CC=C2C(=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4N3","FNEFMQFIPIXXNV-UHFFFAOYSA-N","389220",NA,"PDBC19139","684973","Present"
-"3-(1H-Benzimidazol-2-ylamino)isoindol-1-one","","","","","","","","","","","","","","","","","","","","3-(1H-Benzimidazol-2-ylamino)isoindol-1-one","","C1=CC2=C(NC(=C2C=C1)O)N=C3N=C4C=CC=CC4=N3","RCQLCKGWGZYBOL-UHFFFAOYSA-N","135452472",NA,"PDBC19140","305329","Present"
-"3-(1H-Benzimidazol-2-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-(1H-Benzimidazol-2-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)CC2=NC3=CC=CC=C3N2","KRVRADXBNMEUPR-UHFFFAOYSA-N","386591",NA,"PDBC19141","679042","Present"
-"3-(1H-Benzimidazol-2-ylsulfanyl)propyl-trimethylazanium;bromide;hydrobromide","","","","","","","","","","","","","","","","","","","","3-(1H-Benzimidazol-2-ylsulfanyl)propyl-trimethylazanium;bromide;hydrobromide","","C[N+](C)(C)CCCSC1=NC2=CC=CC=C2N1.Br.[Br-]","HMKAYPYEPCCJTI-UHFFFAOYSA-M","5351691",NA,"PDBC19142","19480","Present"
-"3-(1H-Imidazol-1-yl)-2-(3-isopropoxyphenyl)-2H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","3-(1H-Imidazol-1-yl)-2-(3-isopropoxyphenyl)-2H-pyrido[4,...","","CC(C)OC1=CC=CC(=C1)N2C(=NC3=C(S2(=O)=O)C=NC=C3)N4C=CN=C4","HXCQMHBIQXCYLI-UHFFFAOYSA-N","399792",NA,"PDBC19143","710891","Present"
-"3-(1H-Imidazol-1-yl)propylcarbamodithioic acid","","","","","","","","","","","","","","","","","","","","3-(1H-Imidazol-1-yl)propylcarbamodithioic acid","","C1=CN(C=N1)CCCNC(=S)S","LVVZDKOVBRQLRL-UHFFFAOYSA-N","3246650",NA,"PDBC19144","343548","Present"
-"3-(1H-Indazol-3-yl)-1,2,3-benzotriazin-4(3H)-one","","","","","","","","","","","","","","","","","","","","3-(1H-Indazol-3-yl)-1,2,3-benzotriazin-4(3H)-one","","C1=CC=C2C(=C1)C(=NN2)N3C(=O)C4=CC=CC=C4N=N3","FPXNETVLOBBUDU-UHFFFAOYSA-N","439037",NA,"PDBC19145","702051","Present"
-"3-(1H-Indazol-3-yl)-1-phenyl-2,5-pyrrolidinedione","","","","","","","","","","","","","","","","","","","","3-(1H-Indazol-3-yl)-1-phenyl-2,5-pyrrolidinedione","","C1C(C(=O)N(C1=O)C2=CC=CC=C2)C3=C4C=CC=CC4=NN3","MWUSCTNCQRDWKA-UHFFFAOYSA-N","363327",NA,"PDBC19146","628184","Present"
-"3-(1H-Indol-3-yl)-2-(2-methyl-2,3-dihydro-1H-25-isoindol-2-yl)-1-propanol benzenesulfonate","","","","","","","","","","","","","","","","","","","","Benzenesulfonate;3-(1H-indol-3-yl)-2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propan-1-ol","","C[N+]1(CC2=CC=CC=C2C1)C(CC3=CNC4=CC=CC=C43)CO.C1=CC=C(C=C1)S(=O)(=O)[O-]","SITXDZZLKYHOOV-UHFFFAOYSA-M","5351675",NA,"PDBC19147","17387","Present"
-"3-(1H-Indol-3-yl)-4-(1-methylindol-3-yl)-1,2,5-oxadiazole","","","","","","","","","","","","","","","","","","","","3-[4-(1H-indol-3-yl)-1,2,5-oxadiazol-3-yl]-1-methyl-1H-i...","","CN1C=C(C2=CC=CC=C21)C3=NON=C3C4=CNC5=CC=CC=C54","BHOFGKPHNZTDTK-UHFFFAOYSA-N","155807824",NA,"PDBC19148","801548","Present"
-"3-(1H-Indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-(1H-Indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-1-carboxamide","","CC1=NNC(=O)C1C2CC(=NN(C2=O)C(=O)N)C3=CNC4=CC=CC=C43","RVALZZMAGHPCHB-UHFFFAOYSA-N","392032",NA,"PDBC19149","691831","Present"
-"3-(1H-Indol-3-yl)-N,N-dimethylpropan-1-amine","","","","","","","","","","","","","","","","","","","","3-(1H-Indol-3-yl)-N,N-dimethylpropan-1-amine","","CN(C)CCCC1=CNC2=CC=CC=C21","QHNWPRMHGXRBAO-UHFFFAOYSA-N","52549",NA,"PDBC19150","88622","Present"
-"3-(1H-Indol-3-yl)-N-[[3-[[[3-(1H-indol-3-yl)-2-bicyclo[2.2.1]heptanyl]amino]methyl]phenyl]methyl]bicyclo[2.2.1]heptan-2-amine","","","","","","","","","","","","","","","","","","","","NSC704562///NSC704563","","C1CC2CC1C(C2NCC3=CC(=CC=C3)CNC4C5CCC(C5)C4C6=CNC7=CC=CC=C76)C8=CNC9=CC=CC=C98","OATQZSVTQGRNAZ-UHFFFAOYSA-N","397159",NA,"PDBC19151","704562///704563","Present"
-"3-(1H-Indol-3-yl)propanoic acid; molybdenum; nitridooxonium; tetrahydrofuran","","","","","","","","","","","","","","","","","","","","3-(1H-Indol-3-yl)propanoic acid; molybdenum; nitridooxonium; tetrahydrofuran","","","","",NA,"PDBC19152","651799","Present"
-"3-(1H-Indol-3-yl)pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","STK996344","","C1C(C(=O)NC1=O)C2=CNC3=CC=CC=C32","VNQNEQQYAIPCAQ-UHFFFAOYSA-N","363326",NA,"PDBC19153","628183","Present"
-"3-(1H-Indol-3-yl)quinoxalin-2-ol","","","","","","","","","","","","","","","","","","","","Maybridge3_003220","","C1=CC=C2C(=C1)C(=CN2)C3=NC4=CC=CC=C4NC3=O","JBTOKKDMHISPBA-UHFFFAOYSA-N","400272",NA,"PDBC19154","711805","Present"
-"3-(1H-Indol-3-ylmethylsulfanyl)-4-phenylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","3-[(1h-Indol-3-ylmethyl)sulfanyl]-4-phenyl-4h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide","","C1=CC=C(C=C1)N2C3=C(C=NC=C3)S(=O)(=O)N=C2SCC4=CNC5=CC=CC=C54","HAGXGKWEYKUALG-UHFFFAOYSA-N","401341",NA,"PDBC19155","714653","Present"
-"3-(1H-Pyrazolo[3,4-d]pyrimidin-4-ylamino)-1-propanol","","","","","","","","","","","","","","","","","","","","3-(1H-Pyrazolo[3,4-d]pyrimidin-4-ylamino)propan-1-ol","","C1=NNC2=C1C(=NC=N2)NCCCO","NVGYTYGABQMFNU-UHFFFAOYSA-N","237116",NA,"PDBC19156","40380","Present"
-"3-(1H-Pyrrol-1-yl)pentanedioic acid","","","","","","","","","","","","","","","","","","","","3-(1H-Pyrrol-1-yl)pentanedioic acid","","C1=CN(C=C1)C(CC(=O)O)CC(=O)O","KHDDBIBKNPILFG-UHFFFAOYSA-N","274453",NA,"PDBC19157","120501","Present"
-"3-(2,2-Dimethoxyethyl)-1-methyl-3-[(E)-2-tri(propan-2-yl)silyloxyethenyl]indol-2-one","","","","","","","","","","","","","","","","","","","","3-(2,2-Dimethoxyethyl)-1-methyl-3-[(E)-2-tri(propan-2-yl)silyloxyethenyl]indol-2-one","","CC(C)[Si](C(C)C)(C(C)C)OC=CC1(C2=CC=CC=C2N(C1=O)C)CC(OC)OC","UZJLXBDQERCVQA-CCEZHUSRSA-N","5469953",NA,"PDBC19158","694685","Present"
-"3-(2,2-Dimethoxyethyl)-3-(1,1-dimethylallyl)-1-methyl-indolin-2-one","","","","","","","","","","","","","","","","","","","","3-(2,2-Dimethoxyethyl)-3-(1,1-dimethylallyl)-1-methyl-indolin-2-one","","CC(C)(C=C)C1(C2=CC=CC=C2N(C1=O)C)CC(OC)OC","IUDLELOBSIMMTL-UHFFFAOYSA-N","393202",NA,"PDBC19159","694690","Present"
-"3-(2,2-Dimethoxyethyl)-3-[(E)-2-triisopropylsilyloxyvinyl]-1-(2-trimethylsilylethoxymethyl)indolin-2-one","","","","","","","","","","","","","","","","","","","","3-(2,2-Dimethoxyethyl)-1-(2-trimethylsilylethoxymethyl)-3-[(E)-2-tri(propan-2-yl)silyloxyethenyl]indol-2-one","","CC(C)[Si](C(C)C)(C(C)C)OC=CC1(C2=CC=CC=C2N(C1=O)COCC[Si](C)(C)C)CC(OC)OC","SYNCAQZFBVDRAD-WUKNDPDISA-N","5469954",NA,"PDBC19160","694687","Present"
-"3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]octan-4-amine","","","","","","","","","","","","","","","","","","","","3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]octan-4-amine","","CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)N)C","SHQAHGPRANRAGI-UHFFFAOYSA-N","344749",NA,"PDBC19161","401834","Present"
-"3-(2,2-Dimethylhydrazino)-7-methyl-1,1-dioxo-6H-pyrazolo[3,4-g][1,4,2]benzodithiazin-8-one","","","","","","","","","","","","","","","","","","","","3-(2,2-Dimethylhydrazino)-7-methyl-1,1-dioxo-6H-pyrazolo[3,4-g][1,4,2]benzodithiazin-8-one","","CN1C(=O)C2=CC3=C(C=C2N1)SC(=NS3(=O)=O)NN(C)C","QOWBVUBPYYINFM-UHFFFAOYSA-N","378503",NA,"PDBC19162","661103","Present"
-"3-(2,2-Dimethylpropanoyl)-2-sulfanylideneimidazolidine-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","3-(2,2-Dimethylpropanoyl)-2-thioxo-imidazolidine-1-carbaldehyde","","CC(C)(C)C(=O)N1CCN(C1=S)C=O","FZNYCIJKBKPCSY-UHFFFAOYSA-N","396746",NA,"PDBC19163","703456","Present"
-"3-(2,2-Dimethylpropyl)-2-methylbenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-(2,2-Dimethylpropyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=NC2=C(N1CC(C)(C)C)C(=O)C3=CC=CC=C3C2=O","FGGSECKXGWFYMG-UHFFFAOYSA-N","374260",NA,"PDBC19164","651761","Present"
-"3-(2,2-Dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diol","","","","","","","","","","","","","","","","","","","","3-(2,2-Dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diol","","CC1(OC2COC(C2O1)C3=C4C(=NN3)C(=O)NC(=O)N4)C","FWAKSJVYBQFFSX-UHFFFAOYSA-N","282792",NA,"PDBC19165","136727","Present"
-"3-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)aniline","","","","","","","","","","","","","","","","","","","","3-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)aniline","","C1CC(C2=C(C1)C3=CC=CC=C3N2)C4=CC(=CC=C4)N","CLHXHSSUURERJR-UHFFFAOYSA-N","396625",NA,"PDBC19166","703124","Present"
-"3-(2,3,6-Trichlorophenoxy)-1,2-propanediol","","","","","","","","","","","","","","","","","","","","3-(2,3,6-Trichlorophenoxy)-1,2-propanediol","","C1=CC(=C(C(=C1Cl)OCC(CO)O)Cl)Cl","NGDXGOQYRKDYHW-UHFFFAOYSA-N","367042",NA,"PDBC19167","636370","Present"
-"3-(2,3-Dichloro-4,6-disulfamoylphenyl)-1,1-diphenylurea","","","","","","","","","","","","","","","","","","","","3-(2,3-Dichloro-4,6-disulfamoyl-phenyl)-1,1-diphenyl-urea","","C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=C(C(=C(C=C3S(=O)(=O)N)S(=O)(=O)N)Cl)Cl","GHHTWAQXOJERPY-UHFFFAOYSA-N","396505",NA,"PDBC19168","702690","Present"
-"3-(2,3-Dichlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2,3-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide","","C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C(=CC=C4)Cl)Cl","XVVYVMROVFYEAG-UHFFFAOYSA-N","401418",NA,"PDBC19169","715070","Present"
-"3-(2,3-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2,3-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C(=CC=C4)Cl)Cl","QTKLNROWACUSNV-UHFFFAOYSA-N","401409",NA,"PDBC19170","715061","Present"
-"3-(2,3-Dichlorophenyl)-2-phenylacrylonitrile","","","","","","","","","","","","","","","","","","","","(Z)-3-(2,3-dichlorophenyl)-2-phenyl-prop-2-enenitrile","","C1=CC=C(C=C1)C(=CC2=C(C(=CC=C2)Cl)Cl)C#N","CLPXUEQGKUISRF-UKTHLTGXSA-N","5388797",NA,"PDBC19171","638630","Present"
-"3-(2,3-Dihydro-1H-inden-5-YL)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide","","","","","","","","","","","","","","","","","","","","3-(2,3-Dihydro-1H-inden-5-YL)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide","","C1CC2=C(C1)C=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)C(=S)N","UOFGGXWLFXZHLA-UHFFFAOYSA-N","5472130",NA,"PDBC19172","716416","Present"
-"3-(2,3-Dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine","","","","","","","","","","","","","","","","","","","","1,4-Dihydro-3,6-bis(2H-tetrazole-5-yl)-1,2,4,5-tetrazine","","C1(=NNNN1)C2=NN=C(N=N2)C3=NNN=N3","ORRMJBBFOFPMEC-UHFFFAOYSA-N","323197",NA,"PDBC19173","282058","Present"
-"3-(2,3-Dihydrobenzo[d]oxazol-2-yl)benzo thioamide","","","","","","","","","","","","","","","","","","","","3-(2,3-dihydrobenzo[d]oxazol-2-yl)benzo thioamide","","C1=CC=C2C(=C1)NC(O2)C3=CC(=CC=C3)C(=S)N","YCZUHAHNEGNBMW-UHFFFAOYSA-N","3374653",NA,"PDBC19174","298509","Present"
-"3-(2,3-Dihydroxypropoxy)benzamide","","","","","","","","","","","","","","","","","","","","SQWRAXQBXAETRO-UHFFFAOYSA-N","","C1=CC(=CC(=C1)OCC(CO)O)C(=O)N","SQWRAXQBXAETRO-UHFFFAOYSA-N","354107",NA,"PDBC19175","604583","Present"
-"3-(2,4,5-Trichlorophenoxy)-7-acetoxycoumarin","","","","","","","","","","","","","","","","","","","","3-(2,4,5-Trichlorophenoxy)-7-acetoxycoumarin","","CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC(=C(C=C3Cl)Cl)Cl","OOCSCCVHBIKUAO-UHFFFAOYSA-N","386366",NA,"PDBC19176","678250","Present"
-"3-(2,4,5-Trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2,4,5-Trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC(=C(C=C3Cl)Cl)Cl","YPIQHLBCCJJTDJ-UHFFFAOYSA-N","396388",NA,"PDBC19177","702341","Present"
-"3-(2,4,6-Trichlorophenoxy)propane-1,2-diol","","","","","","","","","","","","","","","","","","","","ACM5112232","","C1=C(C=C(C(=C1Cl)OCC(CO)O)Cl)Cl","UEYYGXZIKYKIMT-UHFFFAOYSA-N","107371",NA,"PDBC19178","636793","Present"
-"3-(2,4,6-Trimethylphenyl)-4-(2-imidazolinyl)-5-(4-chloro phenyl)-isooxazole","","","","","","","","","","","","","","","","","","","","3-(2,4,6-Trimethylphenyl)-4-(2-imidazolinyl)-5-(4-chloro...","","CC1=CC(=C(C(=C1)C)C2=NOC(=C2C3=NCCN3)C4=CC=C(C=C4)Cl)C","AZSGLIGOSOPVHC-UHFFFAOYSA-N","371108",NA,"PDBC19179","645055","Present"
-"3-(2,4,6-Trimethylphenyl)-4-(2-imidazolinyl)-5-(4-methoxyphenyl)-isooxazole","","","","","","","","","","","","","","","","","","","","3-(2,4,6-Trimethylphenyl)-4-(2-imidazolinyl)-5- (4-metho...","","CC1=CC(=C(C(=C1)C)C2=NOC(=C2C3=NCCN3)C4=CC=C(C=C4)OC)C","MUMKLVMJOFONTR-UHFFFAOYSA-N","371106",NA,"PDBC19180","645053","Present"
-"3-(2,4-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","3-(2,4-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde","","C1CN(C(=S)N1C=O)C(=O)C2=C(C=C(C=C2)Cl)Cl","TZMXUZJMWWWEGL-UHFFFAOYSA-N","396749",NA,"PDBC19181","703459","Present"
-"3-(2,4-Dichlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]","","","","","","","","","","","","","","","","","","","","3-(2,4-Dichlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]","","CC1=CC=C(C=C1)NC(=O)OCC(COC2=C(C=C(C=C2)Cl)Cl)OC(=O)NC3=CC=C(C=C3)C","IOJQZVYRMKABDJ-UHFFFAOYSA-N","366921",NA,"PDBC19182","636085","Present"
-"3-(2,4-Dichlorophenyl)-1,2,3a,4,9-pentaaza-10-thiacyclopenta[b]fluorene","","","","","","","","","","","","","","","","","","","","14-(2,4-Dichlorophenyl)-10-thia-8,12,13,15,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene","","C1=CC=C2C(=C1)C3=NN4C(=NN=C4SC3=N2)C5=C(C=C(C=C5)Cl)Cl","SNXAMUIUHLBDBB-UHFFFAOYSA-N","401225",NA,"PDBC19183","714432","Present"
-"3-(2,4-Dichlorophenyl)-1,4-dioxido-quinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(2,4-Dichlorophenyl)-1,4-dioxido-quinoxaline-1,4-diium-2-amine","","C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C3=C(C=C(C=C3)Cl)Cl)[O-]","ILPRDKLNDJOZGG-UHFFFAOYSA-N","135429938",NA,"PDBC19184","621722","Present"
-"3-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl","ZVOOSKBMTOEWQD-UHFFFAOYSA-N","375565",NA,"PDBC19185","655353","Present"
-"3-(2,4-Difluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2,4-Difluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one","","C1C(=O)N(C(=S)S1)C2=C(C=C(C=C2)F)F","HGXZQOFMYBAQGU-UHFFFAOYSA-N","324725",NA,"PDBC19186","290974","Present"
-"3-(2,4-Dimethoxyanilino)-1-(1-oxidopyridin-1-ium-2-yl)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","3-(2,4-Dimethoxyanilino)-1-(1-oxidopyridin-1-ium-2-yl)but-3-en-2-one","","COC1=CC(=C(C=C1)NC(=C)C(=O)CC2=CC=CC=[N+]2[O-])OC","YRYWCNPSCMUYSI-UHFFFAOYSA-N","495244",NA,"PDBC19187","646355","Present"
-"3-(2,4-Dimethoxyphenyl)-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-(2,4-dimethoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybenz...","","CC1=CC2=C(C=C1)N=C(N(C2=O)C3=C(C=C(C=C3)OC)OC)SCC4=CC(=C(C(=C4)OC)OC)OC","QURBHNYJXRPMES-UHFFFAOYSA-N","134148830",NA,"PDBC19188","764230","Present"
-"3-(2,4-Dimethoxyphenyl)prop-2-ynoic acid","","","","","","","","","","","","","","","","","","","","3-(2,4-Dimethoxyphenyl)prop-2-ynoic acid","","COC1=CC(=C(C=C1)C#CC(=O)O)OC","XNZOFKVGVSEHPS-UHFFFAOYSA-N","222999",NA,"PDBC19189","10135","Present"
-"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(2-methoxyphenyl)prop-2-yn-1-one","","","","","","","","","","","","","","","","","","","","3-(2,4-Dimethoxypyrimidin-5-yl)-1-(2-methoxyphenyl)prop-2-yn-1-one","","COC1=CC=CC=C1C(=O)C#CC2=CN=C(N=C2OC)OC","MDPIZXUYNPAJKS-UHFFFAOYSA-N","393735",NA,"PDBC19190","696254","Present"
-"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(3-methoxyphenyl)prop-2-yn-1-one","","","","","","","","","","","","","","","","","","","","2-Propyn-1-one, 3-(2,4-dimethoxy-5-pyrimidinyl)-1-(3-met...","","COC1=CC=CC(=C1)C(=O)C#CC2=CN=C(N=C2OC)OC","CSSXOKRLYMCTNN-UHFFFAOYSA-N","393734",NA,"PDBC19191","696253","Present"
-"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(4-methoxyphenyl)prop-2-yn-1-one","","","","","","","","","","","","","","","","","","","","3-(2,4-Dimethoxypyrimidin-5-yl)-1-(4-methoxyphenyl)prop-2-yn-1-one","","COC1=CC=C(C=C1)C(=O)C#CC2=CN=C(N=C2OC)OC","RQXYHLSYVWOTKE-UHFFFAOYSA-N","393733",NA,"PDBC19192","696252","Present"
-"3-(2,4-Dimethylhexanoyl)-1,4-dihydroxypyridin-2-one","","","","","","","","","","","","","","","","","","","","NSC774818","","CCC(C)CC(C)C(=O)C1=C(C=CN(C1=O)O)O","OXPNHQUKVWYPLJ-UHFFFAOYSA-N","155816185",NA,"PDBC19193","774818","Present"
-"3-(2,4-Dinitrobutyl)-2-methyl-5-nitro-1H-indole","","","","","","","","","","","","","","","","","","","","3-(2,4-Dinitrobutyl)-2-methyl-5-nitro-1H-indole","","CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])CC(CC[N+](=O)[O-])[N+](=O)[O-]","OVELHFYXOUIQDP-UHFFFAOYSA-N","370349",NA,"PDBC19194","643411","Present"
-"3-(2,4-Dinitrophenoxy)pyridine","","","","","","","","","","","","","","","","","","","","3-(2,4-Dinitrophenoxy)pyridine","","C1=CC(=CN=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","WSYSDMJVVVJKIH-UHFFFAOYSA-N","272938",NA,"PDBC19195","117739","Present"
-"3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N,N-diethylpropanamide","","","","","","","","","","","","","","","","","","","","3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N,N-diethylpropanamide","","CCN(CC)C(=O)CCN1C=CC(=O)NC1=O","OHNHSHIIFBUOCW-UHFFFAOYSA-N","376201",NA,"PDBC19196","656738","Present"
-"3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N-(2-((3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl)(methyl)amino)ethyl)-N-methylpropanamide","","","","","","","","","","","","","","","","","","","","3-(2,4-Dioxopyrimidin-1-yl)-N-[2-[3-(2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl]-N-methylpropanamide","","CN(CCN(C)C(=O)CCN1C=CC(=O)NC1=O)C(=O)CCN2C=CC(=O)NC2=O","FHDOIRGZHAXKPY-UHFFFAOYSA-N","376203",NA,"PDBC19197","656740","Present"
-"3-(2,4-Dioxo-6-methyl-5-pyrimidinyl)acrylic acid","","","","","","","","","","","","","","","","","","","","STK604248","","CC1=C(C(=O)NC(=O)N1)C=CC(=O)O","MBCTXMUNGXCIBB-NSCUHMNNSA-N","743193",NA,"PDBC19198","163059","Present"
-"3-(2,5-Dichlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2,5-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide","","C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C=CC(=C4)Cl)Cl","RSOJONRTJMEGML-UHFFFAOYSA-N","401419",NA,"PDBC19199","715071","Present"
-"3-(2,5-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2,5-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C=CC(=C4)Cl)Cl","DTDTUSBHAUXNAR-UHFFFAOYSA-N","401410",NA,"PDBC19200","715062","Present"
-"3-(2,5-Dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2,5-Dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one","","COC1=CC(=C(C=C1)OC)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","VDNMXRGYASNGOL-UHFFFAOYSA-N","396390",NA,"PDBC19201","702343","Present"
-"3-(2,5-Dimethoxyphenyl)-3-(4-methoxyphenoxy)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(2,5-Dimethoxyphenyl)-3-(4-methoxyphenoxy)-2-benzofuran-1(3H)-one","","COC1=CC=C(C=C1)OC2(C3=CC=CC=C3C(=O)O2)C4=C(C=CC(=C4)OC)OC","ZYODGRBMMMTNDX-UHFFFAOYSA-N","371542",NA,"PDBC19202","645871","Present"
-"3-(2,5-Dimethoxyphenylthio)-1,3-diphenylpropan-1-one","","","","","","","","","","","","","","","","","","","","3-(2,5-Dimethoxy-phenylsulfanyl)-1,3-diphenyl-propan-1-one","","COC1=CC(=C(C=C1)OC)SC(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3","KVYJJPYPYXJBQY-UHFFFAOYSA-N","406245",NA,"PDBC19203","724290","Present"
-"3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1-(4-methoxyphenyl)-4-oxo-2-azetidinecarbaldehyde","","","","","","","","","","","","","","","","","","","","3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1-(4-methoxyphenyl)-4-oxo-2-azetidinecarbaldehyde","","COC1=CC=C(C=C1)N2C(C(C2=O)N3C(=O)C=CC3=O)C=O","LIGPYBFRILLHOR-UHFFFAOYSA-N","374574",NA,"PDBC19204","652548","Present"
-"3-(2,5-Dioxo-4-phenylimidazolidin-4-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","AK-94315","","C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)CCC(=O)O","RUWPCCQWDIAGAJ-UHFFFAOYSA-N","236331",NA,"PDBC19205","38743","Present"
-"3-(2,6-Diamino-5-(4-chlorophenyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(2,6-Diamino-5-(4-chlorophenyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide","","C1=CC(=CC(=C1)NC(=O)CCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)C(F)(F)F","HMHZRYPJQYLWNP-UHFFFAOYSA-N","367732",NA,"PDBC19206","637671","Present"
-"3-(2,6-Dichlorophenyl)-2-(2-oxo-2-(4-pyridinyl)ethyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(2,6-Dichlorophenyl)-2-(2-oxo-2-(4-pyridinyl)ethyl)-4(3H)-quinazolinone","","C1=CC=C2C(=C1)C(=O)N(C(=N2)CC(=O)C3=CC=NC=C3)C4=C(C=CC=C4Cl)Cl","SXYLIYVWQMOACA-UHFFFAOYSA-N","365325",NA,"PDBC19207","632916","Present"
-"3-(2,6-Dichlorophenyl)-2-phenylacrylonitrile","","","","","","","","","","","","","","","","","","","","(Z)-3-(2,6-dichlorophenyl)-2-phenyl-prop-2-enenitrile","","C1=CC=C(C=C1)C(=CC2=C(C=CC=C2Cl)Cl)C#N","KJQCNVVCCLWWOT-FMIVXFBMSA-N","5388794",NA,"PDBC19208","638623","Present"
-"3-(2,6-Dichlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","3-(2,6-Dichlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine","","C1C(C(=NC2=CC=CC=C2S1)C3=CC=CC=C3)C4=C(C=CC=C4Cl)Cl","WKIVNKVZPKISLV-UHFFFAOYSA-N","317088",NA,"PDBC19209","246406","Present"
-"3-(2,6-Dichlorophenyl)-4-thia-2,7,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene","","","","","","","","","","","","","","","","","","","","3-(2,6-Dichlorophenyl)-4-thia-2,7,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=CC=N3","XVUUYRULOQPAAT-UHFFFAOYSA-N","379707",NA,"PDBC19210","664682","Present"
-"3-(2,6-Dichlorophenyl)-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(2,6-Dichlorophenyl)-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","CC1=CC2=C(C=C1C)[N+](=C(C(=[N+]2[O-])C3=C(C=CC=C3Cl)Cl)N)[O-]","DZSPSYZNVFVKCC-UHFFFAOYSA-N","135498142",NA,"PDBC19211","621720","Present"
-"3-(2,6-Dichlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(2,6-Dichlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=C(C=CC=C3Cl)Cl)N)[O-]","DPPPLHBWXXMAJT-UHFFFAOYSA-N","135503388",NA,"PDBC19212","621718","Present"
-"3-(2,6-Dimethoxy-4-methylphenyl)acrylic acid","","","","","","","","","","","","","","","","","","","","3-(2,6-Dimethoxy-4-methylphenyl)acrylic acid","","CC1=CC(=C(C(=C1)OC)C=CC(=O)O)OC","XCTXJHNBAGXPMI-SNAWJCMRSA-N","5351734",NA,"PDBC19213","29101","Present"
-"3-(2,6-Dimethoxybenzylidene)-4-methoxy-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(2,6-Dimethoxybenzylidene)-4-methoxy-2-benzofuran-1(3H)-one","","COC1=C(C(=CC=C1)OC)C=C2C3=C(C=CC=C3OC)C(=O)O2","QWVIZGZSFKXYGN-YBEGLDIGSA-N","5468869",NA,"PDBC19214","678143","Present"
-"3-(2,6-Dimethylphenyl)-1-[3-[(2,6-dimethylphenyl)carbamoyl-ethyl-amino]propyl]-1-ethyl-urea","","","","","","","","","","","","","","","","","","","","3-(2,6-Dimethylphenyl)-1-[3-[(2,6-dimethylphenyl)carbamoyl-ethyl-amino]propyl]-1-ethyl-urea","","CCN(CCCN(CC)C(=O)NC1=C(C=CC=C1C)C)C(=O)NC2=C(C=CC=C2C)C","UTHCTHYEGLEUIM-UHFFFAOYSA-N","393257",NA,"PDBC19215","694884","Present"
-"3-(2,7-Dimethoxyacridin-9-yl)sulfanylpropan-1-amine;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","3-(2,7-Dimethoxyacridin-9-yl)sulfanylpropan-1-amine;2,2,2-trifluoroacetic acid","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCN)OC.C(=O)(C(F)(F)F)O","KDSSDWUGOHMPLF-UHFFFAOYSA-N","54613582",NA,"PDBC19216","747887","Present"
-"3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-3-oxo-N-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-3-oxo-N-phenylpropanamide","","C1=CC=C(C=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)SC4=CC=CC=C4","BLPOTYOCUHPVBJ-UHFFFAOYSA-N","377943",NA,"PDBC19217","659611","Present"
-"3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-N-(2-chlorophenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(2-chlorophenyl)-3-oxopropanamide","","C1=CC=C(C=C1)SC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)NNC(=O)CC(=O)NC4=CC=CC=C4Cl","XXVOSMFYUWWEIL-UHFFFAOYSA-N","377942",NA,"PDBC19218","659610","Present"
-"3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-N-(2-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(2-methylphenyl)-3-oxopropanamide","","CC1=CC=CC=C1NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)SC4=CC=CC=C4","QZOIWWKNCPHBQV-UHFFFAOYSA-N","377941",NA,"PDBC19219","659609","Present"
-"3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-N-(4-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(4-methoxyphenyl)-3-oxopropanamide","","COC1=CC=C(C=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)SC4=CC=CC=C4","FCUNZOSZRXWDAF-UHFFFAOYSA-N","377944",NA,"PDBC19220","659612","Present"
-"3-(2-((Aminocarbonyl)hydrazono)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one","","","","","","","","","","","","","","","","","","","","3-(2-((Aminocarbonyl)hydrazono)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one","","COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)C(=NNC(=O)N)C4=CC=C(C=C4)OC","FCULCYWBAAIFKT-VYIQYICTSA-N","5896977",NA,"PDBC19221","641615","Present"
-"3-(2-((Dibutylamino)methyl)-3-oxo-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-(2-((Dibutylamino)methyl)-3-oxo-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one","","CCCCN(CCCC)CC(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)C","SGJLLIYCHAVIGF-UHFFFAOYSA-N","54695452",NA,"PDBC19222","647266","Present"
-"3-(2-((Dimethylamino)methyl)-3-(methylhydrazono)-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-(2-((Dimethylamino)methyl)-3-(methylhydrazono)-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one","","CC(=NNC)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O","YCBFGMOJGGMQJD-MFKUBSTISA-N","54712266",NA,"PDBC19223","647589","Present"
-"3-(2-(1,7-Octadiynyl)cyclopentyl)-1H-inden-1-one","","","","","","","","","","","","","","","","","","","","3-(2-(1,7-Octadiynyl)cyclopentyl)-1H-inden-1-one","","C#CCCCCC#CC1CCCC1C2=CC(=O)C3=CC=CC=C32","WTQJHBGXIKXKEU-UHFFFAOYSA-N","373286",NA,"PDBC19224","649435","Present"
-"3-(2-(1-Pyrrolidinyl)ethyl)pyrido[2,3-d]pyrimidin-4(3H)-one","","","","","","","","","","","","","","","","","","","","3-(2-(1-Pyrrolidinyl)ethyl)pyrido[2,3-d]pyrimidin-4(3H)-one","","C1CCN(C1)CCN2C=NC3=C(C2=O)C=CC=N3","QURLBUYIHWGEKG-UHFFFAOYSA-N","360821",NA,"PDBC19225","623238","Present"
-"3-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid","","","","","","","","","","","","","","","","","","","","3-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid","","CN1C2=CC=CC=C2C(=NNC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C41","TVCIJDBKELBLJP-UHFFFAOYSA-N","385772",NA,"PDBC19226","677166","Present"
-"3-(2-(1H-Benzimidazol-2-yl)ethyl)-3-phenyl-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","3-(2-(1H-Benzimidazol-2-yl)ethyl)-3-phenyl-2,6-piperidinedione","","C1CC(C(=O)NC1=O)(CCC2=NC3=CC=CC=C3N2)C4=CC=CC=C4","OHTDGHYHQJUUAZ-UHFFFAOYSA-N","226670",NA,"PDBC19227","17354","Present"
-"3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone","","","","","","","","","","","","","","","","","","","","3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone","","CC1=CC(=C(C=C1)C(=CC2=NC3=CC=CC=C3NC2=O)O)C","XMELYNFWRGFLLX-YVLHZVERSA-N","135403092",NA,"PDBC19228","682571","Present"
-"3-(2-(2-((5-(4-((2-Cyanoethyl)(phenylsulfonyl)amino)phenyl)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)hydrazino)-3-oxo-N-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-[2-[2-[[5-[4-[Benzenesulfonyl(2-cyanoethyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]hydrazinyl]-3-oxo-N-phenylpropanamide","","C1=CC=C(C=C1)NC(=O)CC(=O)NNCC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)N(CCC#N)S(=O)(=O)C4=CC=CC=C4","LFPIKTANKZBJNG-UHFFFAOYSA-N","369381",NA,"PDBC19229","641143","Present"
-"3-(2-(2-Azabicyclo[2.2.2]oct-5-en-2-yl)ethyl)indoline","","","","","","","","","","","","","","","","","","","","3-(2-(2-Azabicyclo[2.2.2]oct-5-en-2-yl)ethyl)indoline","","C1CC2C=CC1CN2CCC3CNC4=CC=CC=C34","ABDIAESJRMPKBI-UHFFFAOYSA-N","363549",NA,"PDBC19230","628513","Present"
-"3-(2-(2-Hydroxyphenyl)-1,3-dithian-2-yl)-4-isopropoxy-3-cyclobutene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-(2-(2-Hydroxyphenyl)-1,3-dithian-2-yl)-4-isopropoxy-3-cyclobutene-1,2-dione","","CC(C)OC1=C(C(=O)C1=O)C2(SCCCS2)C3=CC=CC=C3O","ULSMOUWZUAOCDB-UHFFFAOYSA-N","394553",NA,"PDBC19231","698098","Present"
-"3-(2-(2-Hydroxyphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone","","","","","","","","","","","","","","","","","","","","3-(2-(2-Hydroxyphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone","","C1=CC=C(C(=C1)C(=CC2=NC3=CC=CC=C3NC2=O)O)O","VQTFNSXPXNFRJC-DHDCSXOGSA-N","135451652",NA,"PDBC19232","636329","Present"
-"3-(2-(3,4-Dichlorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(2-(3,4-Dichlorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one","","C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC(=C(C=C3)Cl)Cl)O","LJFGOYPERGLSMQ-UHFFFAOYSA-N","360294",NA,"PDBC19233","622329","Present"
-"3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-oxoethyl)-2,5-pyrrolidinedione","","","","","","","","","","","","","","","","","","","","3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-oxoethyl)-2,5-pyrrolidinedione","","CC1CC(C(=O)C(C1)C(=O)CC2CC(=O)NC2=O)C","MYMAAUCVFMURGW-UHFFFAOYSA-N","359836",NA,"PDBC19234","621403","Present"
-"3-(2-(3-((4-Methylphenyl)thio)-1-butenyl)hydrazino)-5,6-diphenyl-2,5-dihydro-1,2,4-triazine","","","","","","","","","","","","","","","","","","","","3-(2-(3-((4-Methylphenyl)thio)-1-butenyl)hydrazino)-5,6-diphenyl-2,5-dihydro-1,2,4-triazine","","CC1=CC=C(C=C1)SC(C)C=CNNC2=NC(C(=NN2)C3=CC=CC=C3)C4=CC=CC=C4","XVFLOSRILJBFTA-ISLYRVAYSA-N","6081322",NA,"PDBC19235","640640","Present"
-"3-(2-(4-((2-Cyanoethyl)(phenylsulfonyl)amino)benzylidene)hydrazino)-N-(2-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-[4-[Benzenesulfonyl(2-cyanoethyl)amino]phenyl]methylideneamino]-N-(2-methoxyphenyl)propanediamide","","COC1=CC=CC=C1NC(=O)CC(=O)NN=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","FXSUCKIVRVZBNL-TURZUDJPSA-N","9555829",NA,"PDBC19236","638222","Present"
-"3-(2-(4-((2-Cyanoethyl)(phenylsulfonyl)amino)benzylidene)hydrazino)-N-(4-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-[4-[Benzenesulfonyl(2-cyanoethyl)amino]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide","","COC1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","UNEBXIWNOZEPTE-TURZUDJPSA-N","9555830",NA,"PDBC19237","638223","Present"
-"3-(2-(4-(Dimethylamino)phenyl)vinyl)-8-imino-2-methyl-8H-pyrimido[1,2-b][1,2,4]triazin-6-ol","","","","","","","","","","","","","","","","","","","","3-[(E)-2-(4-Dimethylaminophenyl)vinyl]-8-imino-2-methyl-pyrimido[1,2-b][1,2,4]triazin-6-ol","","CC1=NN2C(=CC(=O)N=C2N=C1C=CC3=CC=C(C=C3)N(C)C)N","BUORVILUBVWBNM-RMKNXTFCSA-N","5918268",NA,"PDBC19238","698030","Present"
-"3-(2-(4-Bromophenyl)-2-oxoethyl)-5,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(2-(4-Bromophenyl)-2-oxoethyl)-5,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one","","C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)Br","KHLUKLUGLSYVRU-UHFFFAOYSA-N","366696",NA,"PDBC19239","635413","Present"
-"3-(2-(4-Bromophenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(2-(4-Bromophenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)Br)O)Cl","CIMUGHIYCUFSOP-UHFFFAOYSA-N","366621",NA,"PDBC19240","635296","Present"
-"3-(2-(4-Chlorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one","","","","","","","","","","","","","","","","","","","","3-(2-(4-Chlorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one","","CN1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C=CC4=CC=C(C=C4)Cl","ZEODZWIPMTXALN-FMIVXFBMSA-N","5916716",NA,"PDBC19241","633111","Present"
-"3-(2-(4-Fluorophenyl)-1,3-dithian-2-yl)-4-methoxy-3-cyclobutene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-[2-(4-Fluorophenyl)-1,3-dithian-2-yl]-4-methoxycyclobut-3-ene-1,2-dione","","COC1=C(C(=O)C1=O)C2(SCCCS2)C3=CC=C(C=C3)F","ZIOQOKOXTBQQER-UHFFFAOYSA-N","389278",NA,"PDBC19242","685031","Present"
-"3-(2-(4-Fluorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one","","","","","","","","","","","","","","","","","","","","3-(2-(4-Fluorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one","","CN1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C=CC4=CC=C(C=C4)F","YOXOBFDMQQBELS-FMIVXFBMSA-N","6306698",NA,"PDBC19243","633112","Present"
-"3-(2-(4-Methoxyphenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one","","","","","","","","","","","","","","","","","","","","3-(2-(4-Methoxyphenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one","","CN1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C=CC4=CC=C(C=C4)OC","GTSVFMWPDPBRAW-JLHYYAGUSA-N","5916097",NA,"PDBC19244","633110","Present"
-"3-(2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino)-1-phenyl-2-propenyl 2-methylphenyl sulfide","","","","","","","","","","","","","","","","","","","","1-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)-2-[(E)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine","","CC1=CC=CC=C1SC(C=CNNC2=NC(C(=NN2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","GUTPNHLGSTVLGX-QURGRASLSA-N","5916893",NA,"PDBC19245","640630","Present"
-"3-(2-(5-((4-Bromophenyl)diazenyl)-2-hydroxybenzylidene)hydrazino)-3-oxo-N-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-(2-(5-((4-Bromophenyl)diazenyl)-2-hydroxybenzylidene)hydrazino)-3-oxo-N-phenylpropanamide","","C1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O","HTRFOVNXRDBPGG-KYITUFADSA-N","135499416",NA,"PDBC19246","659607","Present"
-"3-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=C(C=CC(=C4)Br)O","XGSHANLWPNTAHV-UHFFFAOYSA-N","373572",NA,"PDBC19247","650025","Present"
-"3-(2-(6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl)ethylidene)dihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","(3Z)-3-[2-[6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one","","CC12CCC(C(C1CCC(=C)C2CC=C3CCOC3=O)(C)CO)O","VFAUHRWHZPEKBY-RZNTYIFUSA-N","6373011",NA,"PDBC19248","629154","Present"
-"3-(2-(6-Methoxy-2-naphthyl)propanoyl)-1,3-oxazolidin-2-one","","","","","","","","","","","","","","","","","","","","3-(2-(6-Methoxy-2-naphthyl)propanoyl)-1,3-oxazolidin-2-one","","CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N3CCOC3=O","OACROPGSIVPCNY-UHFFFAOYSA-N","376264",NA,"PDBC19249","656970","Present"
-"3-(2-(6-Methoxy-2-naphthyl)propanoyl)-4,4-dimethyl-1,3-oxazolidin-2-one","","","","","","","","","","","","","","","","","","","","3-(2-(6-Methoxy-2-naphthyl)propanoyl)-4,4-dimethyl-1,3-oxazolidin-2-one","","CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N3C(=O)OCC3(C)C","NCBSMHADHFPMPI-UHFFFAOYSA-N","376266",NA,"PDBC19250","656972","Present"
-"3-(2-(Aminocarbothioyl)hydrazino)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(2-(Aminocarbothioyl)hydrazino)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide","","CCC1=CC=CC(=C1NC(=O)CC(=O)NNC(=S)N)C","HDAFWLKNPTUONG-UHFFFAOYSA-N","3004179",NA,"PDBC19251","635304","Present"
-"3-(2-(Butoxymethoxy)phenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepine 3-oxide","","","","","","","","","","","","","","","","","","","","3-(2-(Butoxymethoxy)phenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepine 3-oxide","","CCCCOCOC1=CC=CC=C1P2(=O)COC3=CC=CC=C3OC2","JZHUSDHKYQXIRX-UHFFFAOYSA-N","376828",NA,"PDBC19252","657946","Present"
-"3-(2-(Cyanoamino)-6-(4-hydroxy-3-methoxyphenyl)-4-pyrimidinyl)-N-(4-methoxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(2-(Cyanoamino)-6-(4-hydroxy-3-methoxyphenyl)-4-pyrimidinyl)-N-(4-methoxyphenyl)propanamide","","COC1=CC=C(C=C1)NC(=O)CCC2=CC(=NC(=N2)NC#N)C3=CC(=C(C=C3)O)OC","LNSRSHAEOBXAKX-UHFFFAOYSA-N","364871",NA,"PDBC19253","631683","Present"
-"3-(2-(Hydroxy(oxido)amino)-1H-imidazol-1-yl)-N-(2-(5-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)ethyl)-1-propanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Methyl-5-nitroimidazolyl)-ethyl]-3-(2-nitroimid-...","","CC1=NC=C(N1CCNS(=O)(=O)CCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","JQQFWPOOSRRLTP-UHFFFAOYSA-N","375689",NA,"PDBC19254","655547","Present"
-"3-(2-(Hydroxy(oxido)amino)phenyl) 7-methyl 7-(4-(dimethylamino)-2-methoxyphenyl)-1,4,5,6,7,8-hexahydroazonino[5,4-b]indole-3,7(2H)-dicarboxylate","","","","","","","","","","","","","","","","","","","","7-O-Methyl 3-O-(2-nitrophenyl) 7-[4-(dimethylamino)-2-methoxyphenyl]-1,2,4,5,6,8-hexahydroazonino[5,4-b]indole-3,7-dicarboxylate","","CN(C)C1=CC(=C(C=C1)C2(CCCN(CCC3=C2NC4=CC=CC=C34)C(=O)OC5=CC=CC=C5[N+](=O)[O-])C(=O)OC)OC","QTPRLNBFMVXMKS-UHFFFAOYSA-N","386809",NA,"PDBC19255","679517","Present"
-"3-(2-(Hydroxyimino)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one","","","","","","","","","","","","","","","","","","","","3-(2-(Hydroxyimino)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one","","COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)C(=NO)C4=CC=C(C=C4)OC","FBWAFBVOCIGTGV-BZZOAKBMSA-N","5929993",NA,"PDBC19256","641607","Present"
-"3-(2-(Hydroxymethyl)phenyl)-N-(2-phenylethyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(2-(Hydroxymethyl)phenyl)-N-(2-phenylethyl)propanamide","","C1=CC=C(C=C1)CCNC(=O)CCC2=CC=CC=C2CO","UVAABVJVYGSGGW-UHFFFAOYSA-N","390005",NA,"PDBC19257","686928","Present"
-"3-(2-Allylbenzyl)-3-ethoxy-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(2-Allylbenzyl)-3-ethoxy-2-benzofuran-1(3H)-one","","CCOC1(C2=CC=CC=C2C(=O)O1)CC3=CC=CC=C3CC=C","PHYYDUBHPOXQAC-UHFFFAOYSA-N","373289",NA,"PDBC19258","649438","Present"
-"3-(2-Amino-5-(4-chlorophenyl)-6-methyl-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(2-Amino-5-(4-chlorophenyl)-6-methyl-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide","","CC1=C(C(=NC(=N1)N)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)Cl","QDCQXAIWXUJSDW-UHFFFAOYSA-N","362293",NA,"PDBC19259","625904","Present"
-"3-(2-Amino-6-(1-naphthyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(2-Amino-6-(1-naphthyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide","","C1=CC=C2C(=C1)C=CC=C2C3=NC(=NC(=C3)CCC(=O)NC4=CC=CC(=C4)C(F)(F)F)N","NXJXJCFZGNHRIP-UHFFFAOYSA-N","367730",NA,"PDBC19260","637669","Present"
-"3-(2-Amino-6-(2-naphthyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(2-Amino-6-(2-naphthyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide","","C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC(=C3)CCC(=O)NC4=CC=CC(=C4)C(F)(F)F)N","HZEXYUHIMZYJNF-UHFFFAOYSA-N","365078",NA,"PDBC19261","632036","Present"
-"3-(2-Amino-6-hydroxy-7H-purin-7-yl)-2-hydroxypropyl benzoate","","","","","","","","","","","","","","","","","","","","3-(2-Amino-6-hydroxy-7H-purin-7-yl)-2-hydroxypropyl benzoate","","C1=CC=C(C=C1)C(=O)OCC(CN2C=NC3=C2C(=O)NC(=N3)N)O","MWWPYOIXLBWNTD-UHFFFAOYSA-N","135470029",NA,"PDBC19262","637536","Present"
-"3-(2-Amino-6-sulfanyl-purin-7-yl)propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-(2-Amino-6-sulfanyl-purin-7-yl)propane-1,2-diol","","C1=NC2=C(N1CC(CO)O)C(=S)N=C(N2)N","XVEXUEUWZLTZCH-UHFFFAOYSA-N","3004226",NA,"PDBC19263","637513","Present"
-"3-(2-Amino-6-tert-butyl-4-pyrimidinyl)-N-(2,4-dichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(2-Amino-6-tert-butyl-4-pyrimidinyl)-N-(2,4-dichlorophenyl)propanamide","","CC(C)(C)C1=NC(=NC(=C1)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)N","DABYIAUPLKGONB-UHFFFAOYSA-N","364868",NA,"PDBC19264","631680","Present"
-"3-(2-Amino-thiazol-4-yl)-2,4-dioxo-pentanoic acid (2,4,5-trichloro-phenyl)-amide","","","","","","","","","","","","","","","","","","","","3-(2-Amino-1,3-thiazol-4-yl)-2,4-dioxo-N-(2,4,5-trichlorophenyl)pentanamide","","CC(=O)C(C1=CSC(=N1)N)C(=O)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl","ALOHHYYQTOUGIM-UHFFFAOYSA-N","369252",NA,"PDBC19265","640983","Present"
-"3-(2-Aminophenyl)-1,2,4-oxadiazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","3-(2-Aminophenyl)-1,2,4-oxadiazol-5(4H)-one","","C1=CC=C(C(=C1)C2=NOC(=O)N2)N","OOYKFDMYANYAMD-UHFFFAOYSA-N","135457094",NA,"PDBC19266","686354","Present"
-"3-(2-Aminophenyl)-2-hydroxypropanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","3-(2-Aminophenyl)-2-hydroxypropanoic acid;hydrochloride","","C1=CC=C(C(=C1)CC(C(=O)O)O)N.Cl","ZPQCBXVYWNOYRN-UHFFFAOYSA-N","54602670",NA,"PDBC19267","402534","Present"
-"3-(2-Aminophenyl)-6,8-dibromo-2-methyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(2-Aminophenyl)-6,8-dibromo-2-methyl-4(3H)-quinazolinone","","CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3N","VOUWCEOGIZPVOJ-UHFFFAOYSA-N","380117",NA,"PDBC19268","665519","Present"
-"3-(2-Aminophenyl)sulfanyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","3-(2-Aminophenyl)sulfanyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione","","C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)SC3=CC=CC=C3N","GJEPFNGOMIWOHX-UHFFFAOYSA-N","295591",NA,"PDBC19269","164991","Present"
-"3-(2-Aminophenyl)sulfanyl-3-(2,6-dichlorophenyl)-1-phenylpropan-1-one","","","","","","","","","","","","","","","","","","","","3-(2-Aminophenyl)sulfanyl-3-(2,6-dichlorophenyl)-1-phenylpropan-1-one","","C1=CC=C(C=C1)C(=O)CC(C2=C(C=CC=C2Cl)Cl)SC3=CC=CC=C3N","OENCHEBBVZSWKN-UHFFFAOYSA-N","300906",NA,"PDBC19270","176389","Present"
-"3-(2-Aminopyrimidin-4-yl)-1-benzyl-2-methylbenzo[f]indole-4,9-dione","","","","","","","","","","","","","","","","","","","","3-(2-Aminopyrimidin-4-yl)-1-benzyl-2-methylbenzo[f]indole-4,9-dione","","CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=NC(=NC=C5)N","KFEAXDDNILOHTI-UHFFFAOYSA-N","54612650",NA,"PDBC19271","730933","Present"
-"3-(2-Aminopyrimidin-4-yl)-2-methyl-1-phenylbenzo[f]indole-4,9-dione","","","","","","","","","","","","","","","","","","","","3-(2-Aminopyrimidin-4-yl)-2-methyl-1-phenylbenzo[f]indole-4,9-dione","","CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=NC(=NC=C5)N","NVUKVMTVOJOHAG-UHFFFAOYSA-N","54612651",NA,"PDBC19272","730934","Present"
-"3-(2-Azidophenyl)-4-bromo-oxadiazol-3-ium-5-ol","","","","","","","","","","","","","","","","","","","","3-(2-Azidophenyl)-4-bromo-oxadiazol-3-ium-5-ol","","C1=CC=C(C(=C1)N=[N+]=[N-])[N+]2=NOC(=C2Br)[O-]","AEXBXPBLUJMSMO-UHFFFAOYSA-N","370907",NA,"PDBC19273","644646","Present"
-"3-(2-Benzhydryloxyethyl)-3,8-diazabicyclo[3.2.1]octane;oxalic acid","","","","","","","","","","","","","","","","","","","","3-[2-(Diphenylmethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane ethanedioate","","C1CC2CN(CC1N2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O","FFQRLGALEYTYPB-UHFFFAOYSA-N","401865",NA,"PDBC19274","715564","Present"
-"3-(2-Benzhydryloxyethyl)-8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octane;oxalic acid","","","","","","","","","","","","","","","","","","","","3-[2-(Diphenylmethoxy)ethyl]-8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octane ethanedioate","","C1CC2CN(CC1N2CCCC3=CC=CC=C3)CCOC(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O","SJMOAYCYRJFSDJ-UHFFFAOYSA-N","401867",NA,"PDBC19275","715565","Present"
-"3-(2-Benzothiazolyl)-6-methoxycoumarin","","","","","","","","","","","","","","","","","","","","STL368389","","COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4S3","HKOKDCKQIDYUFY-UHFFFAOYSA-N","395990",NA,"PDBC19276","701114","Present"
-"3-(2-Benzothiazolyl)coumarin","","","","","","","","","","","","","","","","","","","","CBMicro_023061","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3","KMZRPGPWSFZJLB-UHFFFAOYSA-N","395989",NA,"PDBC19277","701113","Present"
-"3-(2-Benzyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(2-Benzyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)propanoic acid","","C1CN(C(C2=C1C3=CC=CC=C3N2)CCC(=O)O)CC4=CC=CC=C4","JEMZPXUMGHBIRW-UHFFFAOYSA-N","363937",NA,"PDBC19278","629426","Present"
-"3-(2-Benzyl-3-methoxycarbonyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(2-Benzyl-3-methoxycarbonyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl)propanoic acid","","CN1C2=CC=CC=C2C3=C1C(N(C(C3)C(=O)OC)CC4=CC=CC=C4)CCC(=O)O","PWFSWGNUCOCART-UHFFFAOYSA-N","364160",NA,"PDBC19279","629860","Present"
-"3-(2-Bromo-1-ethoxyethoxy)-4,4-dimethyloxolan-2-one","","","","","","","","","","","","","","","","","","","","3-(2-Bromo-1-ethoxyethoxy)-4,4-dimethyloxolan-2-one","","CCOC(CBr)OC1C(=O)OCC1(C)C","GLSNYCQCGYJLMV-UHFFFAOYSA-N","3883185",NA,"PDBC19280","697404","Present"
-"3-(2-Bromo-2-carboxyethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-(2-Bromo-2-carboxyethyl)benzoic acid","","C1=CC(=CC(=C1)C(=O)O)CC(C(=O)O)Br","KQJYLOJYMYQEFS-UHFFFAOYSA-N","265268",NA,"PDBC19281","101127","Present"
-"3-(2-Bromoacridin-9-yl)-5-methyl-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","3-(2-Bromoacridin-9-yl)-5-methyl-1,3,5-thiadiazinane-2-thione","","CN1CN(C(=S)SC1)C2=C3C=C(C=CC3=NC4=CC=CC=C42)Br","RJFLSKQOHAYUJH-UHFFFAOYSA-N","6712756",NA,"PDBC19282","709319","Present"
-"3-(2-Bromoallyl)-1,3,5,7-tetraazaadamantane","","","","","","","","","","","","","","","","","","","","NSC664332","","C=C(C[N+]12CN3CN(C1)CN(C3)C2)Br.[Br-]","XOYSOGMWMAEYNK-UHFFFAOYSA-M","379623",NA,"PDBC19283","664332","Present"
-"3-(2-Bromophenyl)-3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethylpropanamide","","","","","","","","","","","","","","","","","","","","3-(2-Bromophenyl)-3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethylpropanamide","","CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=CC=C2Br)C(C(=O)N(C)C)(F)F","XRAJUCPERLATGD-UHFFFAOYSA-N","395451",NA,"PDBC19284","699996","Present"
-"3-(2-Carboxy-3-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl)-5,6,7,8-tetrahydro-2-naphthalenecarboxylic acid","","","","","","","","","","","","","","","","","","","","7-[3-Hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-6-carboxylic acid","","C1CCC2=C(C1)C=CC(=C2)CC(CC3=C(C=C4CCCCC4=C3)C(=O)O)C(=O)O","YZRMWLUFTMMXJC-UHFFFAOYSA-N","385650",NA,"PDBC19285","676996","Present"
-"3-(2-Carboxyethyl)-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(2-Carboxyethyl)-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","COC1=C2CCC(C3=C(OC(=C23)C=C1)C(=O)O)CCC(=O)O","KMFOJKPJJSOSSV-UHFFFAOYSA-N","361657",NA,"PDBC19286","624875","Present"
-"3-(2-Carboxyethyl)-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(2-Carboxyethyl)-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","COC1=C2C3=C(CCC(C3=C(O2)C(=O)O)CCC(=O)O)C=C1","QELGFPDGYPSTLE-UHFFFAOYSA-N","361585",NA,"PDBC19287","624766","Present"
-"3-(2-Chloro-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(2-Chloro-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=C(NC4=CC=CC=C43)Cl)C(=O)N2","LOMPIJBZOZLSKL-RIYZIHGNSA-N","5471472",NA,"PDBC19288","711612","Present"
-"3-(2-Chloro-5-methoxy-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(2-Chloro-5-methoxy-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=C(NC4=C3C=C(C=C4)OC)Cl)C(=O)N2","FBUJSIPNYSGTNE-OVCLIPMQSA-N","5471473",NA,"PDBC19289","711613","Present"
-"3-(2-Chloro-6-fluorophenyl)-4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-5-methyl-1,2-oxazole","","","","","","","","","","","","","","","","","","","","3-(2-Chloro-6-fluorophenyl)-4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-5-methyl-1,2-oxazole","","CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C3=NC=C(O3)C4=CC=C(C=C4)Cl","HUDZYEDAJNLYFE-UHFFFAOYSA-N","342458",NA,"PDBC19290","379407","Present"
-"3-(2-Chloro-6-methylphenyl)-2,6-dimethyl-2,3-dihydro-4(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","3-(2-Chloro-6-methylphenyl)-2,6-dimethyl-2,3-dihydro-4(1H)-pyrimidinone","","CC1NC(=CC(=O)N1C2=C(C=CC=C2Cl)C)C","JTIQTWMKHHPEEM-UHFFFAOYSA-N","365320",NA,"PDBC19291","632910","Present"
-"3-(2-Chloro-6-methylphenyl)-2-(2-hydroxy-2-(4-pyridinyl)vinyl)-6-methyl-4(3H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","3-(2-Chloro-6-methylphenyl)-2-(2-hydroxy-2-(4-pyridinyl)vinyl)-6-methyl-4(3H)-pyrimidinone","","CC1=C(C(=CC=C1)Cl)N2C(=O)C=C(N=C2C=C(C3=CC=NC=C3)O)C","RJDBSSBLPZRWTK-WJDWOHSUSA-N","135510108",NA,"PDBC19292","632907","Present"
-"3-(2-Chloro-phenyl)-3-(2-chloro-phenylmethanesulfonyl)-N-(2,6-dimethyl-phenyl)-2-oxo-propionamide","","","","","","","","","","","","","","","","","","","","3-(2-chlorobenzylsulfonyl)-3-(2-chlorophenyl)-N-(2,6-dim...","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C2=CC=CC=C2Cl)S(=O)(=O)CC3=CC=CC=C3Cl","MFERXJLGXFFSND-UHFFFAOYSA-N","376677",NA,"PDBC19293","657722","Present"
-"3-(2-Chlorobenzimidazol-1-yl)propan-1-amine","","","","","","","","","","","","","","","","","","","","3-(2-Chlorobenzimidazol-1-yl)propan-1-amine","","C1=CC=C2C(=C1)N=C(N2CCCN)Cl","HFUQIUKDAZKAFL-UHFFFAOYSA-N","393027",NA,"PDBC19294","694271","Present"
-"3-(2-Chloroethyl)-2-[(E)-2-(4-dodecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride","","","","","","","","","","","","","","","","","","","","3-(2-Chloroethyl)-2-[(E)-2-(4-dodecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride","","CCCCCCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCCl.[Cl-]","KBQHRFSHXBAJGK-KLSJZZFUSA-M","5470032",NA,"PDBC19295","696882","Present"
-"3-(2-Chloroethyl)-2-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride","","","","","","","","","","","","","","","","","","","","3-(2-Chloroethyl)-2-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride","","CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCCl.[Cl-]","YOGHODZGXNSNTG-GOSREXKOSA-M","5470034",NA,"PDBC19296","696883","Present"
-"3-(2-Chloroethyl)-2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride","","","","","","","","","","","","","","","","","","","","3-(2-Chloroethyl)-2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride","","CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCCl.[Cl-]","JBYNNTPUUZGGFJ-NMSJBYGBSA-M","5470036",NA,"PDBC19297","696884","Present"
-"3-(2-Chloroethyl)-2-cyclopenta-2,4-dien-1-ylidene-1,3-oxazolidine","","","","","","","","","","","","","","","","","","","","3-(2-Chloroethyl)-2-cyclopenta-2,4-dien-1-ylidene-1,3-oxazolidine","","C1COC(=C2C=CC=C2)N1CCCl","ATJQNZKNKHMJQD-UHFFFAOYSA-N","403546",NA,"PDBC19298","718566","Present"
-"3-(2-Chlorophenyl)-1-(cyclohexylideneamino)urea","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-1-(cyclohexylideneamino)urea","","C1CCC(=NNC(=O)NC2=CC=CC=C2Cl)CC1","PGIKYBYPGWYCAC-UHFFFAOYSA-N","401532",NA,"PDBC19299","715191","Present"
-"3-(2-Chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","C1C2C(C3=CC=CC=C3O1)N(N=C2C4=CC=CC=C4Cl)C5=CC=CC=C5","QXZYQONISJXTPA-UHFFFAOYSA-N","371900",NA,"PDBC19300","646484","Present"
-"3-(2-Chlorophenyl)-2-(2-hydroxybenzoyl)-5-methyl-N-phenyl-3,4-dihydropyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-2-(2-hydroxybenzoyl)-5-methyl-N-phenyl-3,4-dihydropyrazole-4-carboxamide","","CC1=NN(C(C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4O","SJCIYTOVYYJUNN-UHFFFAOYSA-N","399990",NA,"PDBC19301","711142","Present"
-"3-(2-Chlorophenyl)-2-(2-oxo-2-(4-pyridinyl)ethyl)-6-phenyl-4(3H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-2-(2-oxo-2-(4-pyridinyl)ethyl)-6-phenyl-4(3H)-pyrimidinone","","C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)CC(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl","CLGJXLSCCHMVDF-UHFFFAOYSA-N","365316",NA,"PDBC19302","632905","Present"
-"3-(2-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=CC=C3Cl","JIXDELGPRVHNPA-UHFFFAOYSA-N","396386",NA,"PDBC19303","702339","Present"
-"3-(2-Chlorophenyl)-3-(3-chlorophenyl)oxirane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-3-(3-chlorophenyl)oxirane-2-carboxylic acid","","C1=CC=C(C(=C1)C2(C(O2)C(=O)O)C3=CC(=CC=C3)Cl)Cl","ZLEYYNBRZZXPFX-UHFFFAOYSA-N","268476",NA,"PDBC19304","108696","Present"
-"3-(2-Chlorophenyl)-3-cyano-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-3-cyano-2-oxopropanamide","","C1=CC=C(C(=C1)C(C#N)C(=O)C(=O)N)Cl","YDWCLBRLSIFGGA-UHFFFAOYSA-N","365063",NA,"PDBC19305","632021","Present"
-"3-(2-Chlorophenyl)-3-cyano-N-(2,6-dimethylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-3-cyano-N-(2,6-dimethylphenyl)-2-oxopropanamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C#N)C2=CC=CC=C2Cl","CUHIGJBJYLULRP-UHFFFAOYSA-N","365079",NA,"PDBC19306","632037","Present"
-"3-(2-Chlorophenyl)-3-cyano-N-(2-ethylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-3-cyano-N-(2-ethylphenyl)-2-oxopropanamide","","CCC1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=CC=CC=C2Cl","PWTHVOHHPCLRNH-UHFFFAOYSA-N","365053",NA,"PDBC19307","632011","Present"
-"3-(2-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine","","CC1=NN2C(=NN=C2NC(C1)(C)C)C3=CC=CC=C3Cl","LCFJTMFEACPMQU-UHFFFAOYSA-N","369068",NA,"PDBC19308","640625","Present"
-"3-(2-Chlorophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=CC=C3Cl)N)[O-]","OZVZERSIOHJMRE-UHFFFAOYSA-N","135503391",NA,"PDBC19309","621731","Present"
-"3-(2-Chlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=CC=C3Cl)N)[O-]","PFVBCRHKISLJPE-UHFFFAOYSA-N","135503398",NA,"PDBC19310","621744","Present"
-"3-(2-Chlorophenyl)-7-fluorochromen-4-one","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-7-fluoro-chromen-4-one","","C1=CC=C(C(=C1)C2=COC3=C(C2=O)C=CC(=C3)F)Cl","DYJOHRAQXUCDNG-UHFFFAOYSA-N","394828",NA,"PDBC19311","698680","Present"
-"3-(2-Chlorophenyl)-[1,2,4]triazino[6,1-b]quinazoline-4,10-dione","","","","","","","","","","","","","","","","","","","","3-(2-Chlorophenyl)-[1,2,4]triazino[6,1-b]quinazoline-4,10-dione","","C1=CC=C2C(=C1)C(=O)N3C(=N2)C(=O)N(C=N3)C4=CC=CC=C4Cl","FLZKYFDXSPYROR-UHFFFAOYSA-N","389562",NA,"PDBC19312","685868","Present"
-"3-(2-Chloropyridin-3-yl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile","","","","","","","","","","","","","","","","","","","","3-(2-Chloro-3-pyridyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile","","C1=CC(=C(N=C1)Cl)C(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F","IMXXOKQLFJKJLI-UHFFFAOYSA-N","395230",NA,"PDBC19313","699705","Present"
-"3-(2-Cyclopent-2-enyl-ethyl)-3-methyl-piperidine-2-thione","","","","","","","","","","","","","","","","","","","","3-(2-Cyclopent-2-enyl-ethyl)-3-methyl-piperidine-2-thione","","CC1(CCCNC1=S)CCC2CCC=C2","WPQSANCPQIMIMF-UHFFFAOYSA-N","3001577",NA,"PDBC19314","662787","Present"
-"3-(2-Dimethylaminoethyl)-6-(2-morpholinoacetyl)-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","3-(2-Dimethylaminoethyl)-6-(2-morpholinoacetyl)-1,3-benzoxazol-2-one","","CN(C)CCN1C2=C(C=C(C=C2)C(=O)CN3CCOCC3)OC1=O","YYNTUUXAKMKYKL-UHFFFAOYSA-N","391451",NA,"PDBC19315","690655","Present"
-"3-(2-Dimethylaminoethyl)pyrido[2,3-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2-Dimethylaminoethyl)pyrido[2,3-d]pyrimidin-4-one","","CN(C)CCN1C=NC2=C(C1=O)C=CC=N2","BJQAYRRJWYDQIJ-UHFFFAOYSA-N","360819",NA,"PDBC19316","623236","Present"
-"3-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2$l^{5}-diazaphosphol-5-yl)-1,1-diethyl-guanidine","","","","","","","","","","","","","","","","","","","","3-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2$l^{5}-diazaphosphol-5-yl)-1,1-diethyl-guanidine","","CCN(CC)C(=NC1=NP(=O)(C(N1C)(C)C)OCC)N","DSQPGVKMYHNNQV-UHFFFAOYSA-N","9571491",NA,"PDBC19317","671960","Present"
-"3-(2-Fluoro-2,2-dinitroethoxy)propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol","","C(C(COCC([N+](=O)[O-])([N+](=O)[O-])F)O)O","YPTBUFOESBNEOF-UHFFFAOYSA-N","388365",NA,"PDBC19318","683260","Present"
-"3-(2-Fluorophenyl)-2-methylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","B 227","","CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3F","GSTFOVILIDDZER-UHFFFAOYSA-N","63371",NA,"PDBC19319","634172","Present"
-"3-(2-Fluorophenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile","","","","","","","","","","","","","","","","","","","","3-(2-Fluorophenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile","","C1=CC=C(C(=C1)C(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)F","DTKHNGDZAJKRLV-UHFFFAOYSA-N","395236",NA,"PDBC19320","699711","Present"
-"3-(2-Furyl)-5-(2-propynylthio)-1H-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3-(2-furyl)-5-prop-2-ynylsulfanyl-1H-1,2,4-triazole","","C#CCSC1=NNC(=N1)C2=CC=CO2","LCQJKDPYEQJPIH-UHFFFAOYSA-N","339743",NA,"PDBC19321","367487","Present"
-"3-(2-Furyl)-5-(5-methyl-2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole","","","","","","","","","","","","","","","","","","","","3-(2-Furyl)-5-(5-methyl-2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole","","CC1=CC=C(O1)C2CC(=NN2C3=CC=CC=C3)C4=CC=CO4","AHLDCNGCJRJYNI-UHFFFAOYSA-N","376138",NA,"PDBC19322","656631","Present"
-"3-(2-Furyl)acrolein","","","","","","","","","","","","","","","","","","","","3-(2-furyl)acrolein","","C1=COC(=C1)C=CC=O","VZIRCHXYMBFNFD-HNQUOIGGSA-N","1549521",NA,"PDBC19323","2061","Present"
-"3-(2-Furylcarbonyl)-3-furfuryl-1-phenylthiourea","","","","","","","","","","","","","","","","","","","","3-(2-Furylcarbonyl)-3-furfuryl-1-phenylthiourea","","C1=CC=C(C=C1)NC(=S)N(CC2=CC=CO2)C(=O)C3=CC=CO3","QGBHHTDMULYQTI-UHFFFAOYSA-N","3004796",NA,"PDBC19324","659778","Present"
-"3-(2-Furylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3-(2-Furylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","C1=CC=C2C(=C1)C(=O)N3C(=CC4=CC=CO4)C(=O)NC3=N2","LRJVINWJIBXJMU-XYOKQWHBSA-N","135493950",NA,"PDBC19325","684350","Present"
-"3-(2-Hydrazono-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","2H-Indol-2-one, 3-(2-hydrazono-2-phenylethylidene)-1,3-d...","","C1=CC=C(C=C1)C(=CC2=C(NC3=CC=CC=C32)O)N=N","UXAZVAVJTJTJHF-QFULKBQASA-N","135426837",NA,"PDBC19326","175274","Present"
-"3-(2-Hydroxy-1-naphthyl)-1-(1-naphthyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-hydroxy-1-naphthyl)-1-(1-naphthyl)prop-2-en-1-one","","C1=CC=C2C(=C1)C=CC=C2C(=O)C=CC3=C(C=CC4=CC=CC=C43)O","UTJPXWFTKSJOMT-FYWRMAATSA-N","5894473",NA,"PDBC19327","636789","Present"
-"3-(2-Hydroxy-1-naphthyl)-1-(2-naphthyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-hydroxy-1-naphthyl)-1-(2-naphthyl)prop-2-en-1-one","","C1=CC=C2C=C(C=CC2=C1)C(=O)C=CC3=C(C=CC4=CC=CC=C43)O","OCSCHZZAEMXYDW-WYMLVPIESA-N","5922713",NA,"PDBC19328","636985","Present"
-"3-(2-Hydroxy-1-naphthyl)-1-(3-hydroxyphenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxy-1-naphthyl)-1-(3-hydroxyphenyl)-2-propen-1-one","","C1=CC=C2C(=C1)C=CC(=C2C=CC(=O)C3=CC(=CC=C3)O)O","SEJSOIIPSTXKHD-PKNBQFBNSA-N","5351371",NA,"PDBC19329","636786","Present"
-"3-(2-Hydroxy-1-naphthyl)-1-phenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxy-1-naphthyl)-1-phenyl-2-propen-1-one","","C1=CC=C(C=C1)C(=O)C=CC2=C(C=CC3=CC=CC=C32)O","BULMFFWOBSTTTQ-ACCUITESSA-N","5879764",NA,"PDBC19330","636791","Present"
-"3-(2-Hydroxy-2-(3-(hydroxy(oxido)amino)phenyl)-N-phenylethanehydrazonoyl)-7-(hydroxy(oxido)amino)-3,4-dihydro-2(1H)-quinoxalinone","","","","","","","","","","","","","","","","","","","","3-[(E)-N-Anilino-C-[hydroxy-(3-nitrophenyl)methyl]carbonimidoyl]-7-nitro-3,4-dihydro-1H-quinoxalin-2-one","","C1=CC=C(C=C1)NN=C(C2C(=O)NC3=C(N2)C=CC(=C3)[N+](=O)[O-])C(C4=CC(=CC=C4)[N+](=O)[O-])O","RKTAPZMROCFGAE-LGUFXXKBSA-N","9556483",NA,"PDBC19331","647575","Present"
-"3-(2-Hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-(4-s...","","COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=C(C=C(C=C4)OC)O","ODTBHIRKDYMBQQ-UHFFFAOYSA-N","135960825",NA,"PDBC19332","749117","Present"
-"3-(2-Hydroxy-4-sulfo-1-naphthylazo)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxy-4-sulfo-1-naphthylazo)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O","SFGXHBZZOUUGLQ-UHFFFAOYSA-N","389913",NA,"PDBC19333","686564","Present"
-"3-(2-Hydroxy-5-chloro-4-methylphenyl)-5-(2-phenylethene)-1-(4-sulfamylphenyl)-pyrazoline","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxy-5-chloro-4-methylphenyl)-5-(2-phenylethene)...","","CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N)O","DALKXKJBXZFJQV-BQYQJAHWSA-N","135968248",NA,"PDBC19334","750148","Present"
-"3-(2-Hydroxyethoxy)benzoic acid","","","","","","","","","","","","","","","","","","","","BBV-081488","","C1=CC(=CC(=C1)OCCO)C(=O)O","VETJNXLHVDPVOS-UHFFFAOYSA-N","283048",NA,"PDBC19335","137280","Present"
-"3-(2-Hydroxyethoxymethyl)-6-methyl-7-trityl-5H-imidazo[1,2-a]purin-9-one","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxyethoxymethyl)-6-methyl-7-trityl-5H-imidazo[1,2-a]purin-9-one","","CC1=C(N2C(=O)C3=C(N=C2N1)N(C=N3)COCCO)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","IQLJCVXFXBXDNH-UHFFFAOYSA-N","399225",NA,"PDBC19336","709899","Present"
-"3-(2-Hydroxyethyl)-2-methylbenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyethyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=NC2=C(N1CCO)C(=O)C3=CC=CC=C3C2=O","SWGVICOPURUAFY-UHFFFAOYSA-N","374272",NA,"PDBC19337","651773","Present"
-"3-(2-Hydroxyethylsulfamoyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxyethylsulfamoyl)benzoic acid","","C1=CC(=CC(=C1)S(=O)(=O)NCCO)C(=O)O","GHMBQQCUBLEGIP-UHFFFAOYSA-N","257469",NA,"PDBC19338","85512","Present"
-"3-(2-Hydroxymethyl-4-octadec-9-enylidene-5-oxo-tetrahydro-furan-2-yl)-acrylic acid methyl ester","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxymethyl-4-octadec-9-enylidene-5-oxo-tetrahydro-furan-2-yl)-acrylic acid methyl ester","","CCCCCCCCC=CCCCCCCCC=C1CC(OC1=O)(CO)C=CC(=O)OC","YUTZKTSDQCEUQO-ZGTHDJBKSA-N","5470635",NA,"PDBC19339","703763","Present"
-"3-(2-Hydroxyphenacyl)Phthalide","","","","","","","","","","","","","","","","","","","","STK967186","","C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC=CC=C3O","KKTFEYRHVJRQAF-UHFFFAOYSA-N","360212",NA,"PDBC19340","622204","Present"
-"3-(2-Hydroxyphenyl)-1-(1-naphthyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxyphenyl)-1-(1-naphthyl)-2-propen-1-one","","C1=CC=C2C(=C1)C=CC=C2C(=O)C=CC3=CC=CC=C3O","WZDDSECARSIVPZ-OUKQBFOZSA-N","5936347",NA,"PDBC19341","637004","Present"
-"3-(2-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one","","C1=CC=C(C(=C1)C=CC(=O)C2=CC=CS2)O","WNCXWTPPRZUAKU-BQYQJAHWSA-N","5387158",NA,"PDBC19342","621367","Present"
-"3-(2-Hydroxyphenyl)-3,7-chromanediol","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxyphenyl)-3,7-chromanediol","","C1C2=C(C=C(C=C2)O)OCC1(C3=CC=CC=C3O)O","PVKUKNMFETYMQS-UHFFFAOYSA-N","391073",NA,"PDBC19343","689607","Present"
-"3-(2-Hydroxypropyl)-6,8-dimethoxynaphthalen-1-ol","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxypropyl)-6,8-dimethoxynaphthalen-1-ol","","CC(CC1=CC2=CC(=CC(=C2C(=C1)O)OC)OC)O","JSEUZEQTUXBQCS-UHFFFAOYSA-N","372271",NA,"PDBC19344","647327","Present"
-"3-(2-Iodophenyl)-2-methylquinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","Cambridge id 6926673","","CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3I","IGCDEOUGTQHHHF-UHFFFAOYSA-N","366004",NA,"PDBC19345","634177","Present"
-"3-(2-Methoxy-1-naphthyl)phthalide, hydrate [10:1]","","","","","","","","","","","","","","","","","","","","3-(2-Methoxy-1-naphthyl)phthalide, hydrate [10:1]","","COC1=C(C2=CC=CC=C2C=C1)C3C4=CC=CC=C4C(=O)O3","DOROWQYWMLHPJX-UHFFFAOYSA-N","368155",NA,"PDBC19346","638504","Present"
-"3-(2-Methoxy-9-oxo-10(9H)-acridinyl)acrylic acid","","","","","","","","","","","","","","","","","","","","3-(2-Methoxy-9-oxo-10(9H)-acridinyl)acrylic acid","","COC1=CC2=C(C=C1)N(C3=CC=CC=C3C2=O)C=CC(=O)O","HSEYUTQESBHBCS-CMDGGOBGSA-N","5903352",NA,"PDBC19347","646651","Present"
-"3-(2-Methoxyphenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]","","","","","","","","","","","","","","","","","","","","3-(2-Methoxyphenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]","","CC1=CC=C(C=C1)NC(=O)OCC(COC2=CC=CC=C2OC)OC(=O)NC3=CC=C(C=C3)C","OMGPDNGMOPJEIW-UHFFFAOYSA-N","367003",NA,"PDBC19348","636331","Present"
-"3-(2-Methoxyphenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide","","COC1=CC=CC=C1N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","UEHRTDGCXOWAEL-UHFFFAOYSA-N","401414",NA,"PDBC19349","715066","Present"
-"3-(2-Methoxyphenyl)-1-phenylprop-2-en-1-one","","","","","","","","","","","","","","","","","","","","NSC636918","","COC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2","ZWTRSTWJBWJEFR-VAWYXSNFSA-N","5383464",NA,"PDBC19350","636918","Present"
-"3-(2-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC=CC=C1N2C(SCC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","HZZOLGRLEKSJJW-UHFFFAOYSA-N","401407",NA,"PDBC19351","715059","Present"
-"3-(2-Methoxyphenyl)-2-methylquinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","STL304828","","CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC","YIEVFKLHPPPUSM-UHFFFAOYSA-N","365324",NA,"PDBC19352","632915","Present"
-"3-(2-Methoxyphenyl)-2-phenylacrylonitrile","","","","","","","","","","","","","","","","","","","","3-(2-Methoxyphenyl)-2-phenylacrylonitrile","","COC1=CC=CC=C1C=C(C#N)C2=CC=CC=C2","DHHRPBSETDXPFV-RVDMUPIBSA-N","5388795",NA,"PDBC19353","638624","Present"
-"3-(2-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine","","","","","","","","","","","","","","","","","","","","3-(2-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine","","COC1=CC=CC=C1N2C3=NC(=NC(=C3N=N2)N)N","OKUIELUGBHHSLZ-UHFFFAOYSA-N","390791",NA,"PDBC19354","688725","Present"
-"3-(2-Methyl-1H-indol-3-yl)propan-1-ol","","","","","","","","","","","","","","","","","","","","3-(2-Methyl-1H-indol-3-yl)propan-1-ol","","CC1=C(C2=CC=CC=C2N1)CCCO","WEEOENRUEASLAA-UHFFFAOYSA-N","336484",NA,"PDBC19355","351107","Present"
-"3-(2-Methylphenyl)phthalide","","","","","","","","","","","","","","","","","","","","3-(2-Methylphenyl)phthalide","","CC1=CC=CC=C1C2C3=CC=CC=C3C(=O)O2","IPWGBWXYYLCOLW-UHFFFAOYSA-N","367715",NA,"PDBC19356","637648","Present"
-"3-(2-N,2,4-Benzotriazine 1,4-dioxide","","","","","","","","","","","","","","","","","","","","NSC628917","","CCN(CC)CCNC1=[N+](C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-])[O-]","NYEUAKOHUDTNHD-UHFFFAOYSA-N","135426847",NA,"PDBC19357","628917","Present"
-"3-(2-N,2,4-Benzotriazine 1-oxide. Hydrochloride","","","","","","","","","","","","","","","","","","","","NSC628910","","CCN(CC)CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-].Cl","BKNHJBIDSDNQNZ-UHFFFAOYSA-N","22609881",NA,"PDBC19358","628910","Present"
-"3-(2-Naphthyl)-2-phenylacrylonitrile","","","","","","","","","","","","","","","","","","","","J3.537.384E","","C1=CC=C(C=C1)C(=CC2=CC3=CC=CC=C3C=C2)C#N","JBBHEBXZPQPJNL-CPNJWEJPSA-N","5388798",NA,"PDBC19359","638631","Present"
-"3-(2-Naphthyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione","","","","","","","","","","","","","","","","","","","","(4E,5Z)-3-(2-Naphthyl)-4,5-bis(phenylimino)thiazolidine-2-thione","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=S)N2C4=CC5=CC=CC=C5C=C4","GWLUNVUGYRXBEC-UHFFFAOYSA-N","383239",NA,"PDBC19360","671354","Present"
-"3-(2-Nitrovinyl)-1H-indole","","","","","","","","","","","","","","","","","","","","N-8300","","C1=CC=C2C(=C1)C(=CN2)C=C[N+](=O)[O-]","IPASVEYYTNTJTM-AATRIKPKSA-N","1560156",NA,"PDBC19361","81232","Present"
-"3-(2-Oct-1-ynylphenyl)prop-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","3-(2-Oct-1-ynylphenyl)prop-2-yn-1-ol","","CCCCCCC#CC1=CC=CC=C1C#CCO","VCNKDVVNLXZTPI-UHFFFAOYSA-N","24203903",NA,"PDBC19362","730089","Present"
-"3-(2-Oxo-1-(1-(4-oxo-3,3-diphenylhexyl)-4-piperidinyl)-2,3-dihydro-1H-indol-3-yl)propanenitrile","","","","","","","","","","","","","","","","","","","","3-(2-Oxo-1-(1-(4-oxo-3,3-diphenylhexyl)-4-piperidinyl)-2,3-dihydro-1H-indol-3-yl)propanenitrile","","CCC(=O)C(CCN1CCC(CC1)N2C3=CC=CC=C3C(C2=O)CCC#N)(C4=CC=CC=C4)C5=CC=CC=C5","APTBROYJIPBUOM-UHFFFAOYSA-N","380233",NA,"PDBC19363","665710","Present"
-"3-(2-PYRIDYL)-ACRYLOPHENONE","","","","","","","","","","","","","","","","","","","","3-(2-PYRIDYL)-ACRYLOPHENONE","","C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=N2","GYPWVWMVBAKTHW-MDZDMXLPSA-N","5354063",NA,"PDBC19364","197","Present"
-"3-(2-Phenylethyl)-1-(phenylsulfonyl)-1H-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3-(2-Phenylethyl)-1-(phenylsulfonyl)-1H-1,2,4-triazole","","C1=CC=C(C=C1)CCC2=NN(C=N2)S(=O)(=O)C3=CC=CC=C3","MRXZSVZNXOTZCA-UHFFFAOYSA-N","374344",NA,"PDBC19365","651917","Present"
-"3-(2-Phenylethyl)-5,5-bis(trifluoromethyl)tetrahydro-3-furanol","","","","","","","","","","","","","","","","","","","","3-(2-Phenylethyl)-5,5-bis(trifluoromethyl)tetrahydro-3-furanol","","C1C(COC1(C(F)(F)F)C(F)(F)F)(CCC2=CC=CC=C2)O","ONRSHUHTNRYORH-UHFFFAOYSA-N","379666",NA,"PDBC19366","664544","Present"
-"3-(2-Pyridin-2-ylhydrazinyl)indol-2-one","","","","","","","","","","","","","","","","","","","","CBDivE_010867","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=N3","RAKUQDIILFQMQB-UHFFFAOYSA-N","269887",NA,"PDBC19367","111580","Present"
-"3-(2-Pyridylmethoxy)-5-nitro-1H-indazole","","","","","","","","","","","","","","","","","","","","5-Nitro-3-(pyridin-2-ylmethoxy)-1H-indazole","","C1=CC=NC(=C1)COC2=NNC3=C2C=C(C=C3)[N+](=O)[O-]","PNYGWYJRQVHVNS-UHFFFAOYSA-N","384999",NA,"PDBC19368","675830","Present"
-"3-(2-Pyrrolidinoethoxy-17-oxo-1,5(10)-estratriene","","","","","","","","","","","","","","","","","","","","3-(2-Pyrrolidinoethoxy-17-oxo-1,3,5(10)-estratriene","","CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCCN5CCCC5","KECBZLKULBZMSJ-SVPADUAOSA-N","396817",NA,"PDBC19369","703821","Present"
-"3-(2-Quinolinyl)-1-(2-(2-quinolinyl)vinyl)benzo[f]quinoline","","","","","","","","","","","","","","","","","","","","3-(2-Quinolinyl)-1-(2-(2-quinolinyl)vinyl)benzo[f]quinoline","","C1=CC=C2C(=C1)C=CC3=C2C(=CC(=N3)C4=NC5=CC=CC=C5C=C4)C=CC6=NC7=CC=CC=C7C=C6","MAWGSSMWTPIYKZ-NBVRZTHBSA-N","6082683",NA,"PDBC19370","665127","Present"
-"3-(2-Quinolinyl)-6-(3,4,5-trimethoxyphenyl)-2,4-pyridinediol","","","","","","","","","","","","","","","","","","","","3-(2-Quinolyl)-6-(3,4,5-trimethoxyphenyl)pyridine-2,4-diol","","COC1=CC(=CC(=C1OC)OC)C2=CC(=C(C(=O)N2)C3=NC4=CC=CC=C4C=C3)O","YWPPHDQAYFSWOW-UHFFFAOYSA-N","135429924",NA,"PDBC19371","612223","Present"
-"3-(2-Thienyl)-1-(3-thienyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","3-(2-Thienyl)-1-(3-thienyl)-2-propen-1-one","","C1=CSC(=C1)C=CC(=O)C2=CSC=C2","WJVQHLMTEUFIKK-ONEGZZNKSA-N","5467681",NA,"PDBC19372","657755","Present"
-"3-(2-Thienyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","3-(2-Thienyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine","","COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC=CC=C3N=C2C4=CC=CS4","LUTDRROLXXLKNV-UHFFFAOYSA-N","384955",NA,"PDBC19373","675779","Present"
-"3-(2-Thienyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","3-(2-Thienyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","CPMXMAZXLDQNAD-UHFFFAOYSA-N","367575",NA,"PDBC19374","637408","Present"
-"3-(2-Thienylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3-(2-Thienylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","C1=CC=C2C(=C1)C(=O)N3C(=CC4=CC=CS4)C(=O)NC3=N2","JABUAYOUKDOMPV-XYOKQWHBSA-N","135493949",NA,"PDBC19375","684349","Present"
-"3-(3,10-Dimethyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","3-(3,10-Dimethyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-trimethylazanium;iodide","","CC1CCCC2(C1)CC[N+](CC2)(C)CCC[N+](C)(C)C.[I-]","HGCKJAKPWSCEMA-UHFFFAOYSA-M","5351927",NA,"PDBC19376","95676","Present"
-"3-(3,10-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid","","","","","","","","","","","","","","","","","","","","3-(3,10-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid","","CN(C)CCCN1C2=C(CCC3=C1C(=CC=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O","YUAYOLMWTZDYIT-UHFFFAOYSA-N","401797",NA,"PDBC19377","715527","Present"
-"3-(3,3-Dibromoprop-2-en-1-yl)-4-hydroxynaphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 2-(3,3-dibromo-2-propenyl)-3-hydro...","","C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Br)Br)O","XORFFJDRIVKWMC-UHFFFAOYSA-N","276206",NA,"PDBC19378","123511","Present"
-"3-(3,3-Dimethyl-1-triazenyl)-4-methoxybenzamide","","","","","","","","","","","","","","","","","","","","Benzamide, 3-(3,3-dimethyl-1-triazenyl)-4-methoxy- (9CI)","","CN(C)N=NC1=C(C=CC(=C1)C(=O)N)OC","DGNRILCIMHRIOR-UHFFFAOYSA-N","321879",NA,"PDBC19379","276374","Present"
-"3-(3,3-Dimethyltriazeno)-N-ethyl-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-153997","","CCNC(=O)C1=CC(=C(C=C1)C)N=NN(C)C","FCEZAHIFFJLZFP-UHFFFAOYSA-N","374080",NA,"PDBC19380","651340","Present"
-"3-(3,3-Dimethyltriazeno)-N-isopropyl-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-153999","","CC1=C(C=C(C=C1)C(=O)NC(C)C)N=NN(C)C","KLHKPFZJDCFZMF-UHFFFAOYSA-N","374081",NA,"PDBC19381","651341","Present"
-"3-(3,3-Dimethyltriazeno)-N-phenyl-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-154001","","CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N=NN(C)C","RIJPDUIOKZHMKF-UHFFFAOYSA-N","374085",NA,"PDBC19382","651345","Present"
-"3-(3,3-Dimethyltriazeno)-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-153996","","CC1=C(C=C(C=C1)C(=O)N)N=NN(C)C","SWZXTDHCGOQNDX-UHFFFAOYSA-N","374079",NA,"PDBC19383","651339","Present"
-"3-(3,3-Diphenylpropyl)-3-azabicyclo[3.2.2]nonane hydrochloride","","","","","","","","","","","","","","","","","","","","3-(3,3-Diphenylpropyl)-3-azabicyclo[3.2.2]nonane hydroch...","","C1CC2CCC1CN(C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4.Cl","ORHCCLAQDXJOAA-UHFFFAOYSA-N","24189719",NA,"PDBC19384","95501","Present"
-"3-(3,4,5-Trihydroxy-6-oxoxanthen-9-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)propanoic acid","","C1=CC(=C(C2=C1C(=C3C=CC(=O)C(=C3O2)O)CCC(=O)O)O)O","OCMFSQMNSIPSJS-UHFFFAOYSA-N","274127",NA,"PDBC19385","119915","Present"
-"3-(3,4,5-Trimethoxy-benzylamino)-quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(3,4,5-Trimethoxy-benzylamino)-quinoxaline-2-carboxylic acid","","COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC=CC=C3N=C2C(=O)O","RNPCDEJLWMQENZ-UHFFFAOYSA-N","384956",NA,"PDBC19386","675780","Present"
-"3-(3,4,5-Trimethoxy-phenyl)-1-(3,6,7-trimethyl-1,4-dioxy-quinoxalin-2-yl)-propenone","","","","","","","","","","","","","","","","","","","","3-(3,4,5-Trimethoxy-phenyl)-1-(3,6,7-trimethyl-1,4-dioxy...","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","OWZAQXMWMPPYBY-BQYQJAHWSA-N","54612683",NA,"PDBC19387","742448","Present"
-"3-(3,4,5-Trimethoxyphenoxy)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(3,4,5-Trimethoxyphenoxy)quinoxaline-2-carboxylic acid","","COC1=CC(=CC(=C1OC)OC)OC2=NC3=CC=CC=C3N=C2C(=O)O","LAFXCDLLFAXILV-UHFFFAOYSA-N","393703",NA,"PDBC19388","696137","Present"
-"3-(3,4,5-Trimethoxyphenyl)-2-(4-methoxyphenyl)propionic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl) pr...","","COC1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC","YPTQVZDDLXUIOB-UHFFFAOYSA-N","368139",NA,"PDBC19389","638482","Present"
-"3-(3,4,5-Trimethoxyphenyl)-4-(2-naphthyl)-2,5-dihydrofuran-2-one","","","","","","","","","","","","","","","","","","","","3-(3,4,5-trimethoxy)-4-(2-naphtyl)-2(5H)-furanone","","COC1=CC(=CC(=C1OC)OC)C2=C(COC2=O)C3=CC4=CC=CC=C4C=C3","LDGKCQXGMWOFDM-UHFFFAOYSA-N","10022395",NA,"PDBC19390","727209","Present"
-"3-(3,4,5-Trimethoxyphenyl)-4-(phenylethynyl)furan-2(5H)-one","","","","","","","","","","","","","","","","","","","","4-Phenylethynyl-3-(3,4,5-trimethoxy-phenyl)-5H-furan-2-one","","COC1=CC(=CC(=C1OC)OC)C2=C(COC2=O)C#CC3=CC=CC=C3","DTUANMIMLOOHGH-UHFFFAOYSA-N","11484899",NA,"PDBC19391","728553","Present"
-"3-(3,4,5-Trimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(3,4,5-Trimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylic acid","","COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2NC=C(S3)C(=O)O","HRYSWUAJRBJUIP-UHFFFAOYSA-N","369522",NA,"PDBC19392","641377","Present"
-"3-(3,4-Dichloroanilino)-2-quinoxalinecarboxylic acid","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichloroanilino)-2-quinoxalinecarboxylic acid","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O","QFASKOSTLPPVIV-UHFFFAOYSA-N","383926",NA,"PDBC19393","672882","Present"
-"3-(3,4-Dichloroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichloroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid","","C1=CC2=C(C=C1C(F)(F)F)N=C(C(=N2)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O","SABWWJHJKIMCIF-UHFFFAOYSA-N","388329",NA,"PDBC19394","683064","Present"
-"3-(3,4-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde","","C1CN(C(=S)N1C=O)C(=O)C2=CC(=C(C=C2)Cl)Cl","RNGCNESAOOPKFX-UHFFFAOYSA-N","396750",NA,"PDBC19395","703460","Present"
-"3-(3,4-Dichlorobenzyl)-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one","","","","","","","","","","","","","","","","","","","","3-(3,4-dichlorobenzyl)-6-phenyl-3,4-dihydrothieno[2,3-d]...","","C1=CC=C(C=C1)C2=CC3=C(S2)N=CN(C3=O)CC4=CC(=C(C=C4)Cl)Cl","SFXRWLJRYTYHBI-UHFFFAOYSA-N","1191810",NA,"PDBC19396","732882","Present"
-"3-(3,4-Dichlorophenoxy)-7-acetoxycoumarin","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichlorophenoxy)-7-acetoxycoumarin","","CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC(=C(C=C3)Cl)Cl","VZBDZQHMCCFYCF-UHFFFAOYSA-N","386365",NA,"PDBC19397","678249","Present"
-"3-(3,4-Dichlorophenyl)-1-(1-naphthyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichlorophenyl)-1-(1-naphthyl)-2-propen-1-one","","C1=CC=C2C(=C1)C=CC=C2C(=O)C=CC3=CC(=C(C=C3)Cl)Cl","YNHRPXVZZIGOJR-PKNBQFBNSA-N","5388426",NA,"PDBC19398","635961","Present"
-"3-(3,4-Dichlorophenyl)-1-(2,2-diethoxyethyl)-1-methylurea","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichlorophenyl)-1-(2,2-diethoxyethyl)-1-methylurea","","CCOC(CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl)OCC","RJESHRKMAHZUCO-UHFFFAOYSA-N","377625",NA,"PDBC19399","659203","Present"
-"3-(3,4-Dichlorophenyl)-1-(2-naphthyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichlorophenyl)-1-(2-naphthyl)-2-propen-1-one","","C1=CC=C2C=C(C=CC2=C1)C(=O)C=CC3=CC(=C(C=C3)Cl)Cl","ZTDSULGAVOXOLC-UXBLZVDNSA-N","6180929",NA,"PDBC19400","640532","Present"
-"3-(3,4-Dichlorophenyl)-1-[2-(3,4-dichlorophenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-1-yl]-1-(4-methoxyphenyl)urea","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichlorophenyl)-1-[2-(3,4-dichlorophenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-1-yl]-1-(4-methoxyphenyl)urea","","COC1=CC=C(C=C1)N(C2C3=CC=CN3C(=O)N2C4=CC(=C(C=C4)Cl)Cl)C(=O)NC5=CC(=C(C=C5)Cl)Cl","SUNQHYWMNQSEPN-UHFFFAOYSA-N","400005",NA,"PDBC19401","711187","Present"
-"3-(3,4-Dichlorophenyl)-1-methyl-1-[(2S)-2-pyrrolidin-1-ylcyclohexyl]urea;hydrochloride","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichlorophenyl)-1-methyl-1-[(2S)-2-pyrrolidin-1-ylcyclohexyl]urea;hydrochloride","","CN(C1CCCCC1N2CCCC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl.Cl","BJFHKFVYIXLNAB-KRNWZFANSA-N","54611453",NA,"PDBC19402","707819","Present"
-"3-(3,4-Dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC(=C(C=C3)Cl)Cl","KKOBDOBLPQGGEI-UHFFFAOYSA-N","396387",NA,"PDBC19403","702340","Present"
-"3-(3,4-Dichlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(3,4-Dichlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC(=C(C=C3)Cl)Cl)N)[O-]","BXNMCTYACOOGMF-UHFFFAOYSA-N","135444489",NA,"PDBC19404","621745","Present"
-"3-(3,4-Dihydroxy-5-methoxyphenyl)propyl 3-(3,4-dihydroxyphenyl)acrylate","","","","","","","","","","","","","","","","","","","","3-(3,4-Dihydroxy-5-methoxyphenyl)propyl 3-(3,4-dihydroxyphenyl)acrylate","","COC1=CC(=CC(=C1O)O)CCCOC(=O)C=CC2=CC(=C(C=C2)O)O","RJMZYDWFEAALOW-FNORWQNLSA-N","5468266",NA,"PDBC19405","666854","Present"
-"3-(3,4-Dihydroxy-phenyl)-N-phenethyl-propionamide","","","","","","","","","","","","","","","","","","","","3-(3,4-Dihydroxy-phenyl)-N-phenethyl-propionamide","","C1=CC=C(C=C1)CCNC(=O)CCC2=CC(=C(C=C2)O)O","AQPITNHTVNCELU-UHFFFAOYSA-N","383149",NA,"PDBC19406","671190","Present"
-"3-(3,4-Dihydroxyphenyl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-(3,4-Dihydroxyphenyl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O","IKSMLHMJHFMLOT-UHFFFAOYSA-N","397553",NA,"PDBC19407","705873","Present"
-"3-(3,4-Dihydroxyphenyl)-8-methoxy-4-methylisocoumarin","","","","","","","","","","","","","","","","","","","","3-(3,4-dihydroxyphenyl)-8-methoxy-4-methylisocoumarin","","CC1=C(OC(=O)C2=C1C=CC=C2O)C3=CC(=C(C=C3)O)O","HESCUSKDPWWOKE-UHFFFAOYSA-N","5473195",NA,"PDBC19408","724391","Present"
-"3-(3,4-Dihydroxyphenyl)-N-[2-(3,4,5-trihydroxyphenyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3,4-Dihydroxyphenyl)-N-[2-(3,4,5-trihydroxyphenyl)ethyl]propanamide","","C1=CC(=C(C=C1CCC(=O)NCCC2=CC(=C(C(=C2)O)O)O)O)O","HDQKGDXWDWTJLW-UHFFFAOYSA-N","383151",NA,"PDBC19409","671192","Present"
-"3-(3,4-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3,4-Dihydroxyphenyl)-N-(2-(3,4-dihydroxyphenyl)ethyl)propanamide","","C1=CC(=C(C=C1CCC(=O)NCCC2=CC(=C(C=C2)O)O)O)O","JSRZDPROOJRCNF-UHFFFAOYSA-N","383150",NA,"PDBC19410","671191","Present"
-"3-(3,4-Dihydroxyphenyl)-N-[2-(3,5-dihydroxyphenyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3,4-Dihydroxyphenyl)-N-[2-(3,5-dihydroxyphenyl)ethyl]propanamide","","C1=CC(=C(C=C1CCC(=O)NCCC2=CC(=CC(=C2)O)O)O)O","OJKLEYZOZVVURX-UHFFFAOYSA-N","389931",NA,"PDBC19411","686584","Present"
-"3-(3,4-Dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3,4-Dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide","","C1=CC=C(C=C1)COC2=CC(=CC(=C2)O)CCNC(=O)CCC3=CC(=C(C=C3)O)O","DUWUHECAAPSYBK-UHFFFAOYSA-N","389932",NA,"PDBC19412","686585","Present"
-"3-(3,4-Dimethoxy-benzylamino)-quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxy-benzylamino)-quinoxaline-2-carboxylic acid","","COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(=O)O)OC","QHVFHNDRKFRACU-UHFFFAOYSA-N","384957",NA,"PDBC19413","675781","Present"
-"3-(3,4-Dimethoxyanilino)-2-quinoxalinecarboxylic acid","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyanilino)-2-quinoxalinecarboxylic acid","","COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)O)OC","PHCGHSFXGWGIIH-UHFFFAOYSA-N","383924",NA,"PDBC19414","672880","Present"
-"3-(3,4-Dimethoxyphenethyl)-8-(6-methylhept-5-en-2-yl)-3,4-dihydro-2Hbenzo[e][1,3]oxazine","","","","","","","","","","","","","","","","","","","","3-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methyl-8-[(2S)-6-methylhept-5-en-2-yl]-2,4-dihydro-1,3-benzoxazine","","CC1=C2CN(COC2=C(C=C1)C(C)CCC=C(C)C)CCC3=CC(=C(C=C3)OC)OC","IJWLTRHXHCJOMS-FQEVSTJZSA-N","53320503",NA,"PDBC19415","750823","Present"
-"3-(3,4-Dimethoxyphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-])OC","FMAYVRJZZULQNG-UHFFFAOYSA-N","135503397",NA,"PDBC19416","621742","Present"
-"3-(3,4-Dimethoxyphenyl)-2-quinolinol","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyphenyl)-2-quinolinol","","COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3NC2=O)OC","ZOFCKDIGIUHZJJ-UHFFFAOYSA-N","363554",NA,"PDBC19417","628518","Present"
-"3-(3,4-Dimethoxyphenyl)-3-((dimethylamino)methyl)-6,7-dimethoxy-2,3-dihydro-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyphenyl)-3-((dimethylamino)methyl)-6,7-dimethoxy-2,3-dihydro-4H-chromen-4-one","","CN(C)CC1(COC2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C=C3)OC)OC","KPFMEBHRNITQLZ-UHFFFAOYSA-N","363711",NA,"PDBC19418","628871","Present"
-"3-(3,4-Dimethoxyphenyl)-3-(2-methylpropyl)pyrrolidine","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyphenyl)-3-isobutyl-pyrrolidine","","CC(C)CC1(CCNC1)C2=CC(=C(C=C2)OC)OC","IJPVLZBIZWUIEY-UHFFFAOYSA-N","394156",NA,"PDBC19419","697390","Present"
-"3-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)furan-2(5H)-one","","","","","","","","","","","","","","","","","","","","3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2(5H)-furanone","","COC1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC(=C(C=C3)OC)OC","SPEPBRXGJOHWET-UHFFFAOYSA-N","10903498",NA,"PDBC19420","727208","Present"
-"3-(3,4-Dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione","","COC1=C(C=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C(=C3)OC)OC)OC)OC","VXORSSUWWJBYLE-UHFFFAOYSA-N","24882588",NA,"PDBC19421","740128","Present"
-"3-(3,4-Dimethoxyphenyl)-5-(4-fluorophenyl)-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyphenyl)-5-(4-fluorophenyl)-1H-imidazol-2-one","","COC1=C(C=C(C=C1)N2C=C(NC2=O)C3=CC=C(C=C3)F)OC","GOOZDMKENWSGLE-UHFFFAOYSA-N","45027961",NA,"PDBC19422","740352","Present"
-"3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-2-one","","COC1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC(=C(C=C3)OC)OC","VJWXHXANNVMZOG-UHFFFAOYSA-N","44446872",NA,"PDBC19423","740261","Present"
-"3-(3,4-Dimethoxyphenyl)-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyphenyl)-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","CC1=CC2=C(C=C1C)[N+](=C(C(=[N+]2[O-])C3=CC(=C(C=C3)OC)OC)N)[O-]","HITHOCGBOWDCES-UHFFFAOYSA-N","135503385",NA,"PDBC19424","621498","Present"
-"3-(3,4-Dimethoxyphenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyphenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC(=C(C=C3)OC)OC)N)[O-]","WJDYCUSYCLNGOA-UHFFFAOYSA-N","135406362",NA,"PDBC19425","621497","Present"
-"3-(3,4-Dimethoxyphenyl)-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","3-(3,4-Dimethoxyphenyl)-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one","","COC1=C(C=C(C=C1)C2COC3=C(C2=O)C=CC(=C3OC)OC)OC","VADUSELHZNJNPJ-UHFFFAOYSA-N","363712",NA,"PDBC19426","628872","Present"
-"3-(3,4-Dimethoxyphenyl)coumarin","","","","","","","","","","","","","","","","","","","","F3139-2752","","COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)OC","OIFPKNYYBNPHRA-UHFFFAOYSA-N","388101",NA,"PDBC19427","682564","Present"
-"3-(3,4-Dioxyquinoxalin-2-yl)-1-(3,4,5-trimethoxyphenyl)-propenone","","","","","","","","","","","","","","","","","","","","3-(3,7-dimethyl-1,4-dioxyquinoxalin-2-yl)-1-(3,4,5-trime...","","CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C)[O-]","PKVLXXTYLDKHIO-CMDGGOBGSA-N","53362837",NA,"PDBC19428","750054","Present"
-"3-(3,4-dimethoxyphenyl)-8-methoxyisocoumarin","","","","","","","","","","","","","","","","","","","","3-(3,4-dimethoxyphenyl)-8-methoxyisocoumarin","","COC1=C(C=C(C=C1)C2=CC3=C(C(=CC=C3)OC)C(=O)O2)OC","GHTACAVDDFVAHW-UHFFFAOYSA-N","406328",NA,"PDBC19429","724387","Present"
-"3-(3,5-Dibromo-4-hydroxyphenyl)-2-(2-pyridinyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","3-(3,5-Dibromo-4-hydroxyphenyl)-2-(2-pyridinyl)acrylonitrile","","C1=CC=NC(=C1)C(=CC2=CC(=C(C(=C2)Br)O)Br)C#N","PTOQIPKNVNBYOS-BJMVGYQFSA-N","135499405",NA,"PDBC19430","659320","Present"
-"3-(3,5-Dibromo-4-hydroxyphenyl)-2-(3-pyridinyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","3-(3,5-Dibromo-4-hydroxyphenyl)-2-(3-pyridinyl)acrylonitrile","","C1=CC(=CN=C1)C(=CC2=CC(=C(C(=C2)Br)O)Br)C#N","XMCKIJJZPDULJN-NYYWCZLTSA-N","5467801",NA,"PDBC19431","659326","Present"
-"3-(3,5-Dibromo-4-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one","","","","","","","","","","","","","","","","","","","","3-(3,5-Dibromo-4-hydroxyphenyl)-3-phenyl-2-benzofuran-1(3h)-one","","C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)Br)O)Br","VPEHKIYQFVOKIE-UHFFFAOYSA-N","228250",NA,"PDBC19432","21009","Present"
-"3-(3,5-Dibromo-4-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","3-(3,5-Dibromo-4-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile","","COC1=C(C=C(C=C1Br)C=C(C#N)C2=CC=CC=N2)Br","PLKORTXHPYLYAB-IZZDOVSWSA-N","5467800",NA,"PDBC19433","659324","Present"
-"3-(3,5-Dibromo-4-methoxyphenyl)-2-(3-pyridinyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","3-(3,5-Dibromo-4-methoxyphenyl)-2-(3-pyridinyl)acrylonitrile","","COC1=C(C=C(C=C1Br)C=C(C#N)C2=CN=CC=C2)Br","ZWJBQAQOHVCMBN-LFYBBSHMSA-N","5467796",NA,"PDBC19434","659319","Present"
-"3-(3,5-Dichloro-2-hydroxyphenyl)-1-(3-hydroxyphenyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(3,5-dichloro-2-hydroxy-phenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one","","C1=CC(=CC(=C1)O)C(=O)C=CC2=C(C(=CC(=C2)Cl)Cl)O","NPRDILNAKUALDB-SNAWJCMRSA-N","5937876",NA,"PDBC19435","640543","Present"
-"3-(3,5-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","3-(3,5-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde","","C1CN(C(=S)N1C=O)C(=O)C2=CC(=CC(=C2)Cl)Cl","MHMABYFXLVIXMZ-UHFFFAOYSA-N","396751",NA,"PDBC19436","703461","Present"
-"3-(3,5-Dichlorophenyl)-2-(2-pyridinyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","3-(3,5-Dichlorophenyl)-2-(2-pyridinyl)acrylonitrile","","C1=CC=NC(=C1)C(=CC2=CC(=CC(=C2)Cl)Cl)C#N","BBOIWJQVQAPMRY-VZUCSPMQSA-N","5467799",NA,"PDBC19437","659323","Present"
-"3-(3,5-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3,5-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide","","C1=CC(=C(C=C1CCNC(=O)CCC2=CC(=CC(=C2)O)O)O)O","AFCZPNYGMPSNSS-UHFFFAOYSA-N","389923",NA,"PDBC19438","686576","Present"
-"3-(3,5-Dihydroxyphenyl)-N-[2-(3,5-dihydroxyphenyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3,5-Dihydroxyphenyl)-N-[2-(3,5-dihydroxyphenyl)ethyl]propanamide","","C1=C(C=C(C=C1O)O)CCC(=O)NCCC2=CC(=CC(=C2)O)O","JXQNQSJCCAHWLV-UHFFFAOYSA-N","389925",NA,"PDBC19439","686578","Present"
-"3-(3,5-Dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3,5-Dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide","","C1=CC=C(C=C1)COC2=CC(=CC(=C2)O)CCNC(=O)CCC3=CC(=CC(=C3)O)O","LBLVSEHSTPDWOV-UHFFFAOYSA-N","389926",NA,"PDBC19440","686579","Present"
-"3-(3,5-Dihydroxyphenyl)-N-[3-[3-(3,5-dihydroxyphenyl)propanoylamino]propyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3,5-Dihydroxyphenyl)-N-[3-[3-(3,5-dihydroxyphenyl)propanoylamino]propyl]propanamide","","C1=C(C=C(C=C1O)O)CCC(=O)NCCCNC(=O)CCC2=CC(=CC(=C2)O)O","NKLXTYGSFHTYGC-UHFFFAOYSA-N","391001",NA,"PDBC19441","689408","Present"
-"3-(3,5-Diisopropylphenoxy)-1,2-propanediol","","","","","","","","","","","","","","","","","","","","3-(3,5-Diisopropylphenoxy)-1,2-propanediol","","CC(C)C1=CC(=CC(=C1)OCC(CO)O)C(C)C","DYCJBGBBAJBZMK-UHFFFAOYSA-N","367040",NA,"PDBC19442","636368","Present"
-"3-(3,5-Dimethoxy-4-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","","","","","","","","","","","","","","","","","","","","3-(3,5-Dimethoxy-4-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","","CC1=C(C=C(C=C1OC)C2=COC3=C(C(=C(C=C3C2=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC)OC","CIIASBKMHVQXKM-UHFFFAOYSA-N","397182",NA,"PDBC19443","704588","Present"
-"3-(3,5-Dimethoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine","","","","","","","","","","","","","","","","","","","","3-(3,5-Dimethoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine","","COC1=CC(=CC(=C1)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N)OC","DKYYDSXSBUVENM-UHFFFAOYSA-N","393436",NA,"PDBC19444","695323","Present"
-"3-(3,5-Dimethoxyphenoxy)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(3,5-Dimethoxyphenoxy)quinoxaline-2-carboxylic acid","","COC1=CC(=CC(=C1)OC2=NC3=CC=CC=C3N=C2C(=O)O)OC","RPHWRRHVBIIXMS-UHFFFAOYSA-N","393702",NA,"PDBC19445","696136","Present"
-"3-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2-benzisothiazole","","","","","","","","","","","","","","","","","","","","3-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2-benzisothiazole","","CC1=CC(=NN1C2=NSC3=CC=CC=C32)C","WWTUVXHOWZIPEU-UHFFFAOYSA-N","374736",NA,"PDBC19446","652928","Present"
-"3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide","","CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=CC=C3)C","KXGQCHXNZPKUFM-UHFFFAOYSA-N","386802",NA,"PDBC19447","679510","Present"
-"3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide","","CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)OC)C","KEAJVNUOBFUUAU-UHFFFAOYSA-N","386804",NA,"PDBC19448","679512","Present"
-"3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C)N=NC3=CC=CC(=C3)C)C","SPEZPHPQXGARGB-UHFFFAOYSA-N","386803",NA,"PDBC19449","679511","Present"
-"3-(3,5-Dimethyl-4-isoxazolyl)propyl 6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl ether","","","","","","","","","","","","","","","","","","","","3,5-Dimethyl-4-[3-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)propyl]-1,2-oxazole","","CC1=C(C(=NO1)C)CCCOC2COC3=CC=CC=C3OCCOCCOC4=CC=CC=C4OC2","TVRINECRENFBON-UHFFFAOYSA-N","373598",NA,"PDBC19450","650159","Present"
-"3-(3,5-Dimethyl-4-phenyldiazenylpyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(3,5-Dimethyl-4-phenyldiazenylpyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide","","CC1=C(C(=NN1C(=O)CC(=O)NC2=CC(=CC=C2)OC)C)N=NC3=CC=CC=C3","AEMPPWGNTGLVAR-UHFFFAOYSA-N","357544",NA,"PDBC19451","617008","Present"
-"3-(3,5-Dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","6-(4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-7H-...","","CC1=CC(=NN1C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)OC)C","NBWLTPLUWUQXDF-UHFFFAOYSA-N","155812962",NA,"PDBC19452","766103","Present"
-"3-(3,5-Dimethylpyrazol-1-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","6-Biphenyl-4-yl-3-(3,5-dimethyl-pyr azol-1-yl)-7H-[1,2,4...","","CC1=CC(=NN1C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)C5=CC=CC=C5)C","GLDAYPXSFRVYSB-UHFFFAOYSA-N","155809908",NA,"PDBC19453","766104","Present"
-"3-(3,5-Ditert-butyl-4-hydroxybenzoyl)-3,4-dihydroisochromen-1-one","","","","","","","","","","","","","","","","","","","","3-(3,5-Ditert-butyl-4-hydroxy-benzoyl)isochroman-1-one","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2CC3=CC=CC=C3C(=O)O2","MHFQEJGIVNJHKK-UHFFFAOYSA-N","398887",NA,"PDBC19454","709108","Present"
-"3-(3,5-Trimethoxyphenoxy)quinoxaline-5,7-diamine","","","","","","","","","","","","","","","","","","","","3-(3,4,5-trimethoxyphenoxy)quinoxaline-5,7-diamine","","COC1=CC(=CC(=C1OC)OC)OC2=NC3=C(C=C(C=C3N=C2)N)N","DGMFZYRBEXJBNO-UHFFFAOYSA-N","24205331",NA,"PDBC19455","735155","Present"
-"3-(3,5-Trimethoxyphenyl)-4-phenyl-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3-(3,4,5-trimethoxyphenyl)-4-phenyl-2(5H)-furanone","","COC1=CC(=CC(=C1OC)OC)C2=C(COC2=O)C3=CC=CC=C3","AMVBBIDADWUNEN-UHFFFAOYSA-N","24202904",NA,"PDBC19456","726216","Present"
-"3-(3,6-Dimethyl-3,4-dihydrothieno[2,3-d] pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","3-(3,4-dichlorobenzyl)-5,6-dimethyl-3,4-dihydrothieno[2,...","","CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=C(C=C3)Cl)Cl)C","ZLFBJEAVHIQAFF-UHFFFAOYSA-N","2077565",NA,"PDBC19457","732897","Present"
-"3-(3,6-Dioxo-1H-pyridazin-2-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","3-(3,6-Dioxo-1H-pyridazin-2-yl)benzonitrile","","C1=CC(=CC(=C1)N2C(=O)C=CC(=O)N2)C#N","IZHOUMYYTKVAJI-UHFFFAOYSA-N","374913",NA,"PDBC19458","653497","Present"
-"3-(3,6-Dioxo-1H-pyridazin-2-yl)propanal","","","","","","","","","","","","","","","","","","","","3-(3,6-dioxo-1H-pyridazin-2-yl)propanal","","C1=CC(=O)N(NC1=O)CCC=O","VSYWOROPESYNFP-UHFFFAOYSA-N","366143",NA,"PDBC19459","634470","Present"
-"3-(3,7-Diamine","","","","","","","","","","","","","","","","","","","","3-(3,5-dimethoxyphenoxy)quinoxaline-5,7-diamine","","COC1=CC(=CC(=C1)OC2=NC3=C(C=C(C=C3N=C2)N)N)OC","GNHCPIDICVAYEX-UHFFFAOYSA-N","24205330",NA,"PDBC19460","735154","Present"
-"3-(3,8-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","3-(3,8-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride","","CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-].Cl","AJZLREOOQUIXKH-UHFFFAOYSA-N","402565",NA,"PDBC19461","716684","Present"
-"3-(3,8-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid","","","","","","","","","","","","","","","","","","","","3-(3,8-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid","","CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O","RQGBVEKHRKAKFA-UHFFFAOYSA-N","401799",NA,"PDBC19462","715528","Present"
-"3-(3,N-Diethylaminopropylamino)-1,2,4-benzotriazine 1,4-dioxide. 0.33 Hydrate","","","","","","","","","","","","","","","","","","","","3-(3,N,N-diethylaminopropylamino)-1,2,4-benzotriazine 1,...","","CCN(CC)CCCNC1=[N+](C2=CC=CC=C2[N+](=N1)[O-])[O-]","AAPGFUPMASLWMI-UHFFFAOYSA-N","135503434",NA,"PDBC19463","628916","Present"
-"3-(3-((2-Cyanoethyl)-2-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide","","","","","","","","","","","","","","","","","","","","1-(p-Anilinomalonyl-3-(N-ortho-toluidino-N-.beta.-cyanoe...","","CC1=CC=CC=C1N(CCC#N)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4","XYQIAGRLHLASLR-UHFFFAOYSA-N","365896",NA,"PDBC19464","633977","Present"
-"3-(3-((2-Cyanoethyl)-2-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","1-(m-Methoxyanilinomalonyl)-3-(N-ortho-toluidino-N-.beta...","","CC1=CC=CC=C1N(CCC#N)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)OC","KEDIHXWCIDGABT-UHFFFAOYSA-N","365898",NA,"PDBC19465","633979","Present"
-"3-(3-((2-Cyanoethyl)-3-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","1-(p-Methoxyanilinomalonyl)-3-(N-meta-toluidino-N-.beta....","","CC1=CC(=CC=C1)N(CCC#N)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)OC","CTCNAYBNPAUSMQ-UHFFFAOYSA-N","365895",NA,"PDBC19466","633976","Present"
-"3-(3-((2-Cyanoethyl)-3-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","1-(p-Methylanilinomalonyl)-3-(N-meta toluidino-N-.beta.-...","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=CC(=C3)C)C4=CC=CC=C4","GJKZWIYHBBTBRY-UHFFFAOYSA-N","365894",NA,"PDBC19467","633975","Present"
-"3-(3-(1-Pyrrolidinyl)propyl)pyrido[2,3-d]pyrimidin-4(3H)-one","","","","","","","","","","","","","","","","","","","","3-(3-(1-Pyrrolidinyl)propyl)pyrido[2,3-d]pyrimidin-4(3H)-one","","C1CCN(C1)CCCN2C=NC3=C(C2=O)C=CC=N3","LZSQJEOOICXMOF-UHFFFAOYSA-N","360826",NA,"PDBC19468","623243","Present"
-"3-(3-(2-(1H-Pyrrol-1-yl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(3-(2-(1H-Pyrrol-1-yl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid","","C1=CC=C(C(=C1)C2=NOC(=N2)CCC(=O)O)N3C=CC=C3","JVCZPUTWXTXJRK-UHFFFAOYSA-N","331761",NA,"PDBC19469","326374","Present"
-"3-(3-(2-Chloro(2-cyanoethyl)anilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[5-[2-Chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide","","COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=CC=C3Cl)C4=CC=CC=C4","CXSHTBUGUPDKAT-UHFFFAOYSA-N","365713",NA,"PDBC19470","633650","Present"
-"3-(3-(3-Cycloheptylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","3-(3-(3-Cycloheptylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione","","C1CCCC(CC1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O","AXNYBYBGUREGTC-UHFFFAOYSA-N","270723",NA,"PDBC19471","113452","Present"
-"3-(3-(3-Cyclohexylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","3-(3-(3-Cyclohexylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione","","C1CCC(CC1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O","ZGXOROLZOSNLNM-UHFFFAOYSA-N","270725",NA,"PDBC19472","113455","Present"
-"3-(3-(4-Chloro(2-cyanoethyl)anilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[5-[4-Chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(3-methoxyphenyl)-3-oxopropanamide","","COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","GLVMVKQHCVTDHW-UHFFFAOYSA-N","365706",NA,"PDBC19473","633643","Present"
-"3-(3-(4-Chloro(2-cyanoethyl)anilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[5-[4-Chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(3-methylphenyl)-3-oxopropanamide","","CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","RLBSOYVKPUJZCB-UHFFFAOYSA-N","365708",NA,"PDBC19474","633645","Present"
-"3-(3-(4-Morpholinyl)propyl)pyrido[2,3-d]pyrimidin-4(3H)-one","","","","","","","","","","","","","","","","","","","","3-(3-(4-Morpholinyl)propyl)pyrido[2,3-d]pyrimidin-4(3H)-one","","C1COCCN1CCCN2C=NC3=C(C2=O)C=CC=N3","GYLGNENYLKGXLZ-UHFFFAOYSA-N","360825",NA,"PDBC19475","623242","Present"
-"3-(3-(Benzyloxy)-1-octenyl)-2-(3-(trimethylsilyl)-2-propynyl)cyclopentanone","","","","","","","","","","","","","","","","","","","","3-(3-(Benzyloxy)-1-octenyl)-2-(3-(trimethylsilyl)-2-propynyl)cyclopentanone","","CCCCCC(C=CC1CCC(=O)C1CC#C[Si](C)(C)C)OCC2=CC=CC=C2","WVUUQBFLECODFZ-FBMGVBCBSA-N","5469504",NA,"PDBC19476","689223","Present"
-"3-(3-(Dihydroxyoxidostibino)phenyl)-2-propenoic acid","","","","","","","","","","","","","","","","","","","","3-(3-stibonophenyl)acrylic acid","","C1=CC(=CC(=C1)[Sb](=O)(O)O)C=CC(=O)O","ZTQRMGDLUGQTTF-MNPOOLNOSA-L","5351653",NA,"PDBC19477","13778","Present"
-"3-(3-(Diphenylamino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxo-N-p-tolylpropanamide","","","","","","","","","","","","","","","","","","","","3-(3-(Diphenylamino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-y...","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","YUXMPAJDTCEKKF-UHFFFAOYSA-N","389690",NA,"PDBC19478","686233","Present"
-"3-(3-(Hydroxy(oxido)amino)phenyl)-2-(4-methylphenyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","(Z)-3-(3-nitrophenyl)-2-(p-tolyl)prop-2-enenitrile","","CC1=CC=C(C=C1)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C#N","PJJARSYRNWSUPJ-OQLLNIDSSA-N","5394938",NA,"PDBC19479","201980","Present"
-"3-(3-(Trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(3-(Trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one","","C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3C4=CC(=CC=C4)C(F)(F)F","VCUNDCKCTUJNHO-UHFFFAOYSA-N","362069",NA,"PDBC19480","625592","Present"
-"3-(3-Amino-4-cyano-7-nitro-1-oxo-2-isoquinolyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-(3-Amino-4-cyano-7-nitro-1-oxo-2-isoquinolyl)benzoic acid","","C1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N)C(=O)O","RPKZMVGIMOHHOB-UHFFFAOYSA-N","391667",NA,"PDBC19481","691209","Present"
-"3-(3-Amino-7-nitro-1-oxo-4-phenyl-2-isoquinolyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-(3-Amino-7-nitro-1-oxo-4-phenyl-2-isoquinolyl)benzoic acid","","C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)O)N","ITUFEOCGTCCKPM-UHFFFAOYSA-N","392506",NA,"PDBC19482","693023","Present"
-"3-(3-Aminopropoxy)-N-[2-(3-aminopropoxy)-4-chlorophenyl)-2-naphthamide dihydrochloride","","","","","","","","","","","","","","","","","","","","3-(3-Aminopropoxy)-N-[2-(3-aminopropoxy)-4-chlorophenyl)...","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=C(C=C(C=C3)Cl)OCCCN)OCCCN.Cl","WYUGCAFLNYEFJT-UHFFFAOYSA-N","54613722",NA,"PDBC19483","751299","Present"
-"3-(3-Azidophenyl)-6-chloro-pyridazin-4-ol","","","","","","","","","","","","","","","","","","","","3-(3-Azidophenyl)-6-chloro-pyridazin-4-ol","","C1=CC(=CC(=C1)N=[N+]=[N-])C2=NNC(=CC2=O)Cl","HFEQFWQSGPCGAK-UHFFFAOYSA-N","3000772",NA,"PDBC19484","654615","Present"
-"3-(3-Benzyl-4,9-dioxobenzo[f]benzimidazol-2-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(1-Benzyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)propanoic acid","","C1=CC=C(C=C1)CN2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCC(=O)O","IMZRLAHDYYJQPB-UHFFFAOYSA-N","382888",NA,"PDBC19485","670765","Present"
-"3-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)C3=C(C(=CC(=C3Cl)Br)Cl)O","KRJGCFSTINCXKJ-UHFFFAOYSA-N","403485",NA,"PDBC19486","718386","Present"
-"3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile","","COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=CC=N2)Br)O","TXIWYRNROHWKHD-IZZDOVSWSA-N","135499406",NA,"PDBC19487","659325","Present"
-"3-(3-Bromophenyl)-1-(thiophen-2-yl)prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","3-(3-Bromophenyl)-1-(thiophen-2-yl)prop-2-en-1-one","","C1=CC(=CC(=C1)Br)C=CC(=O)C2=CC=CS2","QUMOQWJJKQQXSW-VOTSOKGWSA-N","5467676",NA,"PDBC19488","657736","Present"
-"3-(3-Bromophenyl)-2,3-dihydropyrrolizin-1-one","","","","","","","","","","","","","","","","","","","","3-(3-Bromophenyl)-2,3-dihydropyrrolizin-1-one","","C1C(N2C=CC=C2C1=O)C3=CC(=CC=C3)Br","HHJNWVACIPCECX-UHFFFAOYSA-N","389727",NA,"PDBC19489","686319","Present"
-"3-(3-Bromophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","3-(3-Bromophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile","","C1=CC=C2C(=C1)C(=O)NC(=N2)C(=CC3=CC(=CC=C3)Br)C#N","IMXUTGLJHOWVAQ-XYOKQWHBSA-N","135454446",NA,"PDBC19490","684966","Present"
-"3-(3-Butenyl)-3-methyl-2-piperidinethione","","","","","","","","","","","","","","","","","","","","3-(3-Butenyl)-3-methyl-2-piperidinethione","","CC1(CCCNC1=S)CCC=C","OAAZABZLWGVRIO-UHFFFAOYSA-N","3004385",NA,"PDBC19491","649427","Present"
-"3-(3-Carboxyphenyl)arsanylidenearsanylbenzoic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-92896","","C1=CC(=CC(=C1)[As]=[As]C2=CC=CC(=C2)C(=O)O)C(=O)O","OFOFKDIEWPDSJN-UHFFFAOYSA-N","261036",NA,"PDBC19492","92896","Present"
-"3-(3-Chloro-1,4-dihydronaphthalen-2-yl)-2-methylacrylic acid","","","","","","","","","","","","","","","","","","","","3-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2-meth...","","CC(=CC1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)O","IEEMCGPTKHURAP-VOTSOKGWSA-N","25235426",NA,"PDBC19493","742628","Present"
-"3-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","C1=CC=C(C(=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)Cl","UTFVGRNGKLFYML-UHFFFAOYSA-N","373568",NA,"PDBC19494","650021","Present"
-"3-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","C1=CC=C(C(=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)O","CHXUHSDBJMLMFR-UHFFFAOYSA-N","373561",NA,"PDBC19495","650014","Present"
-"3-(3-Chloro-2-(2-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(2-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","COC1=CC=CC=C1C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl","YCXFIXDXBTYKGW-UHFFFAOYSA-N","373566",NA,"PDBC19496","650019","Present"
-"3-(3-Chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","COC1=C(C=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)OC","VYZNKZKKZRBCNW-UHFFFAOYSA-N","373570",NA,"PDBC19497","650023","Present"
-"3-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=C(C(=CC(=C4)Br)Br)O","YIMYRGPQEMTRNW-UHFFFAOYSA-N","373573",NA,"PDBC19498","650026","Present"
-"3-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC(=CC=C4)O","QHWVJCXJMUIIBL-UHFFFAOYSA-N","373562",NA,"PDBC19499","650015","Present"
-"3-(3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC=C(C=C4)Cl","LNRZYBWNRWQHSW-UHFFFAOYSA-N","373569",NA,"PDBC19500","650022","Present"
-"3-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","COC1=C(C=CC(=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)O","FJQMRKUEMXWJCB-UHFFFAOYSA-N","373571",NA,"PDBC19501","650024","Present"
-"3-(3-Chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC=C(C=C4)O","COTLDAKFTKSEJL-UHFFFAOYSA-N","373563",NA,"PDBC19502","650016","Present"
-"3-(3-Chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","COC1=CC=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl","BVHLLBBUFQPKTO-UHFFFAOYSA-N","373567",NA,"PDBC19503","650020","Present"
-"3-(3-Chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone","","CC1=CC=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl","NVUKHYBENWSVTK-UHFFFAOYSA-N","373574",NA,"PDBC19504","650027","Present"
-"3-(3-Chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)-1-azetidinyl)-4(3H)-quinazolinone","","COC1=CC(=CC(=C1OC)OC)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl","KFYHYCDSWCLYFV-UHFFFAOYSA-N","373575",NA,"PDBC19505","650028","Present"
-"3-(3-Chloro-2-oxo-4-phenyl-1-azetidinyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-2-oxo-4-phenyl-1-azetidinyl)-4(3H)-quinazolinone","","C1=CC=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl","HLHROVPJYKTBGW-UHFFFAOYSA-N","373560",NA,"PDBC19506","650013","Present"
-"3-(3-Chloro-4-(4-chlorophenoxy)phenyl)-2-(3-ethoxy-4-hydroxyphenyl)thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(3-chloro-4-(4-chlorophenoxy)phenyl)-2-(3-ethoxy-4-hyd...","","CCOC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl)O","SCGFLTYLAYNBQI-UHFFFAOYSA-N","392954",NA,"PDBC19507","694168","Present"
-"3-(3-Chloro-4-fluorophenyl)-6-(3,5-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-4-fluorophenyl)-6-(3,5-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC(=C(C=C1C2=NN=C3N2N=C(S3)C4=CC(=CC(=C4)Cl)Cl)Cl)F","FSBQPZATLUQZPD-UHFFFAOYSA-N","24205556",NA,"PDBC19508","736157","Present"
-"3-(3-Chloro-4-fluorophenyl)-6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-4-fluorophenyl)-6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC(=CC(=C1)Cl)C2=NN3C(=NN=C3S2)C4=CC(=C(C=C4)F)Cl","ZFQWZOAIQSQOQT-UHFFFAOYSA-N","24205558",NA,"PDBC19509","736159","Present"
-"3-(3-Chloro-4-fluorophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-4-fluorophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC(=CC=C1C2=NN3C(=NN=C3S2)C4=CC(=C(C=C4)F)Cl)F","LQHKWMOLKUPLJW-UHFFFAOYSA-N","24205555",NA,"PDBC19510","736156","Present"
-"3-(3-Chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC(=C(C=C4)F)Cl","PEFNTVHMNXHEIS-UHFFFAOYSA-N","24205559",NA,"PDBC19511","736160","Present"
-"3-(3-Chloro-4-fluorophenyl)-6-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-4-fluorophenyl)-6-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CSC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC(=C(C=C4)F)Cl","RMWIRAPIZSYYQR-UHFFFAOYSA-N","24205560",NA,"PDBC19512","736161","Present"
-"3-(3-Chloro-4-fluorophenyl)-6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-4-fluorophenyl)-6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC=C(C(=C1)OCC2=NN3C(=NN=C3S2)C4=CC(=C(C=C4)F)Cl)Cl","XPUQYIKMIZJWLW-UHFFFAOYSA-N","24205557",NA,"PDBC19513","736158","Present"
-"3-(3-Chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","COC1=C(C=C(C=C1)N2C=C(NC2=O)C3=CC(=C(C(=C3)OC)OC)OC)Cl","LHLCEHKYUBLTRY-UHFFFAOYSA-N","44446874",NA,"PDBC19514","740258","Present"
-"3-(3-Chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione","","COC1=C(C=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C(=C3)OC)OC)OC)Cl","SPVTWWYLWLURQD-UHFFFAOYSA-N","44446878",NA,"PDBC19515","740256","Present"
-"3-(3-Chloro-4-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-4-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione","","COC1=C(C=C(C=C1)C2=CN(C(=S)N2)C3=CC(=C(C=C3)OC)Cl)OC","ZCSHQSVJHFMQGA-UHFFFAOYSA-N","44446880",NA,"PDBC19516","740264","Present"
-"3-(3-Chloro-4-methoxyphenyl)-5-(4-chlorophenyl)-1H-imidazole-2-thione","","","","","","","","","","","","","","","","","","","","3-(3-Chloro-4-methoxyphenyl)-5-(4-chlorophenyl)-1H-imidazole-2-thione","","COC1=C(C=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)Cl)Cl","SPLZBLLZYMAVHF-UHFFFAOYSA-N","44446881",NA,"PDBC19517","740255","Present"
-"3-(3-Chloro-4-methoxyphenyl)-N-(2-(dimethylamino)ethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-(3-chloro-4-methoxyphenyl)-N-(2-(dimethylamino)ethyl)-...","","CN(C)CCNC(=O)N1C=C(C(=N1)C2=CC(=C(C=C2)OC)Cl)C3=CC=NC=C3","ROMMIUKVIGYOPW-UHFFFAOYSA-N","60147896",NA,"PDBC19518","752885","Present"
-"3-(3-Chloro-5-methoxyphenyl)-N-(2-(4-methylpiperazin-1-yl)ethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-(3-chloro-5-methoxyphenyl)-N-(2-(4-methylpiperazin-1-y...","","CN1CCN(CC1)CCNC(=O)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)OC)C4=CC=NC=C4","KOTQSPVARCRODJ-UHFFFAOYSA-N","51358119",NA,"PDBC19519","752879","Present"
-"3-(3-Chloro-5-methoxyphenyl)-N-(2-morpholinoethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-(3-chloro-5-methoxyphenyl)-N-(2-morpholinoethyl)-4-(py...","","COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C(=O)NCCN4CCOCC4)Cl","DWMMTUPPTGCVOI-UHFFFAOYSA-N","53483547",NA,"PDBC19520","752878","Present"
-"3-(3-Chlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide","","C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=CC=C4)Cl","WVCZBVOCPXGWIU-UHFFFAOYSA-N","401412",NA,"PDBC19521","715064","Present"
-"3-(3-Chlorophenyl)-1-(3-methoxypropyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-1-(3-methoxypropyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea","","COCCCN(CC1=CC(=C(C(=C1)OC)OC)OC)C(=S)NC2=CC(=CC=C2)Cl","BGYICCOYBKZBLJ-UHFFFAOYSA-N","2803722",NA,"PDBC19522","310357","Present"
-"3-(3-Chlorophenyl)-2,3-dihydropyrrolizin-1-one","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-2,3-dihydropyrrolizin-1-one","","C1C(N2C=CC=C2C1=O)C3=CC(=CC=C3)Cl","ZAHYZMGPYOKOMJ-UHFFFAOYSA-N","389725",NA,"PDBC19523","686317","Present"
-"3-(3-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=CC(=CC=C4)Cl","BDYUENCUGFQKDI-UHFFFAOYSA-N","375558",NA,"PDBC19524","655346","Present"
-"3-(3-Chlorophenyl)-2-(2,6-dichlorophenyl)-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-2-(2,6-dichlorophenyl)-2,3-dihydro[1,2,4]triazolo[5,1-b]quinazolin-9(1h)-one","","C1=CC=C2C(=C1)C(=O)N3C(=N2)N(C(N3)C4=C(C=CC=C4Cl)Cl)C5=CC(=CC=C5)Cl","NPEHKOSMKFKFBS-UHFFFAOYSA-N","402185",NA,"PDBC19525","716049","Present"
-"3-(3-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC(=CC=C3)Cl","GEDUCXOUSJWCQR-UHFFFAOYSA-N","396382",NA,"PDBC19526","702335","Present"
-"3-(3-Chlorophenyl)-6-(pyrrolidine-1-yl)pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione","","C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl","OEZWXQFUKZOWOE-UHFFFAOYSA-N","396881",NA,"PDBC19527","703908","Present"
-"3-(3-Chlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC(=CC=C3)Cl)N)[O-]","BTVSBFMPXXOVEM-UHFFFAOYSA-N","135435946",NA,"PDBC19528","621733","Present"
-"3-(3-Chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-(3-Chlorophenyl)-6-morpholino-1h-pyrimidine-2,4-dione","","C1COCCN1C2=CC(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl","JQOJAERMIYJXLC-UHFFFAOYSA-N","396884",NA,"PDBC19529","703911","Present"
-"3-(3-Fluorophenyl)-N-pyridin-3-yl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine","","","","","","","","","","","","","","","","","","","","3-(3-Fluorophenyl)-N-pyridin-3-yl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine","","C1=CC(=CC(=C1)F)C2=C3C(=NN2)N=C(S3)NC4=CN=CC=C4","WODVYHUXBKCERC-UHFFFAOYSA-N","60147811",NA,"PDBC19530","752461","Present"
-"3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one","","","","","","","","","","","","","","","","","","","","3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one","","COC1=C(C=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)O)O)O","WIBOONWRYQFYQJ-UHFFFAOYSA-N","404571",NA,"PDBC19531","720872","Present"
-"3-(3-Hydroxy-4-oxo-4H-pyran-2-yl)-2-(methylhydrazono)-N-(2-methylphenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(3-Hydroxy-4-oxo-4H-pyran-2-yl)-2-(methylhydrazono)-N-(2-methylphenyl)propanamide","","CC1=CC=CC=C1NC(=O)C(=NNC)CC2=C(C(=O)C=CO2)O","VCJOLTSYSKCKCS-UNOMPAQXSA-N","5918280",NA,"PDBC19532","641438","Present"
-"3-(3-Hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxo-N-(2,4,5-trichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(3-Hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxo-N-(2,4,5-trichlorophenyl)propanamide","","C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=N2)CC(=O)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl","LIHHEZRADIVIOJ-UHFFFAOYSA-N","372924",NA,"PDBC19533","648636","Present"
-"3-(3-Hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)phenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(3-Hydroxy-6-nitro-quinoxalin-2-yl)-N-(2-nitrophenyl)-2-oxo-propanamide","","C1=CC=C(C(=C1)NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)[N+](=O)[O-]","PNHQNBDCSFFZGR-UHFFFAOYSA-N","372134",NA,"PDBC19534","647088","Present"
-"3-(3-Hydroxynaphthalen-2-yl)-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","1,4-Dihydro-3-(3-hydroxy-2-naphthyl)-4-(4-phenethyl)-5H-...","","C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC4=CC=CC=C4C=C3O","OZNZCSZBCVBMEL-UHFFFAOYSA-N","135427944",NA,"PDBC19535","729054","Present"
-"3-(3-Hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3-Hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide","","C1=CC(=CC(=C1)O)CCC(=O)NCCC2=CC(=CC=C2)O","CJHLDWDNRLAIBW-UHFFFAOYSA-N","387945",NA,"PDBC19536","682296","Present"
-"3-(3-Hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3-Hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide","","C1=CC(=CC(=C1)O)CCC(=O)NCCC2=CC=C(C=C2)O","WUQSWVZMASPYIU-UHFFFAOYSA-N","387941",NA,"PDBC19537","682292","Present"
-"3-(3-Hydroxyphenyl)-N-[3-[3-(3-hydroxyphenyl)propanoylamino]propyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(3-Hydroxyphenyl)-N-[3-[3-(3-hydroxyphenyl)propanoylamino]propyl]propanamide","","C1=CC(=CC(=C1)O)CCC(=O)NCCCNC(=O)CCC2=CC(=CC=C2)O","DGDCESNTXUUFGQ-UHFFFAOYSA-N","391000",NA,"PDBC19538","689407","Present"
-"3-(3-Methoxyphenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(3-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide","","COC1=CC=CC(=C1)N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","OJQZFVQBYOKAAR-UHFFFAOYSA-N","401415",NA,"PDBC19539","715067","Present"
-"3-(3-Methoxyphenyl)-2,3-dihydropyrrolizin-1-one","","","","","","","","","","","","","","","","","","","","3-(3-Methoxyphenyl)-2,3-dihydropyrrolizin-1-one","","COC1=CC=CC(=C1)C2CC(=O)C3=CC=CN23","PXNKOVHOTUECSV-UHFFFAOYSA-N","389728",NA,"PDBC19540","686320","Present"
-"3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one","","COC1=CC=CC(=C1)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","XATBKGGKQDOQRD-UHFFFAOYSA-N","396392",NA,"PDBC19541","702345","Present"
-"3-(3-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(3-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC=CC(=C1)N2C(SCC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","GQCBISGYJDLWFS-UHFFFAOYSA-N","401408",NA,"PDBC19542","715060","Present"
-"3-(3-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine","","","","","","","","","","","","","","","","","","","","3-(3-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine","","COC1=CC=CC(=C1)N2C3=NC(=NC(=C3N=N2)N)N","JAMCVWXBRGICRC-UHFFFAOYSA-N","390792",NA,"PDBC19543","688726","Present"
-"3-(3-Methyl-1,4-dioxo-1,4-dihydronaphthalene-2-ylthio)propionic acid 1-(tert-butylcarbamoyl)-2-(3-methyl-1,4-dioxo-1,4-dihydronaphthalene-2-ylseleno)ethyl ester","","","","","","","","","","","","","","","","","","","","[1-(Tert-butylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanyl-1-oxopropan-2-yl] 3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylpropanoate","","CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)OC(C[Se]C3=C(C(=O)C4=CC=CC=C4C3=O)C)C(=O)NC(C)(C)C","OENZOXTWQKCLNF-UHFFFAOYSA-N","44226336",NA,"PDBC19544","748881","Present"
-"3-(3-Methylbut-2-enoyl)-4-oxido-quinoxalin-4-ium-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(3-Methylbut-2-enoyl)-4-oxido-quinoxalin-4-ium-2-carboxylic acid","","CC(=CC(=O)C1=[N+](C2=CC=CC=C2N=C1C(=O)O)[O-])C","IBYBVTFKDRUUPA-UHFFFAOYSA-N","494407",NA,"PDBC19545","622323","Present"
-"3-(3-Methylsulfanyl-[1,4]thiadiazol-5-ylsulfanyl)-1-p-toly l-propenone","","","","","","","","","","","","","","","","","","","","3-(3-Methylsulfanyl-[1,2,4]thiadiazol-5-ylsulfanyl)-1-p-...","","CC1=CC=C(C=C1)C(=O)C=CSC2=NC(=NS2)SC","RMLOFBYQHKHRND-FPLPWBNLSA-N","24203484",NA,"PDBC19546","728219","Present"
-"3-(3-N,2,4-Benzotriazine 1-oxide","","","","","","","","","","","","","","","","","","","","3-(3-N,N-diethylaminopropylamino)-1,2,4-benzotriazine 1-...","","CCN(CC)CCCNC1=NC2=CC=CC=C2[N+](=N1)[O-]","FUGGBXZMVXSBRQ-UHFFFAOYSA-N","6711499",NA,"PDBC19547","628912","Present"
-"3-(3-Nitrophenyl)-1-phenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","3-(3-Nitrophenyl)-1-phenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole","","C1C2C(C3=CC=CC=C3O1)N(N=C2C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5","POMPFSPBIKPLIR-UHFFFAOYSA-N","371907",NA,"PDBC19548","646491","Present"
-"3-(3-Nitrophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole","","","","","","","","","","","","","","","","","","","","3-(3-Nitrophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole","","C1CC2C(C1)ON=C2C3=CC(=CC=C3)[N+](=O)[O-]","HYXSUUJIDDVYQH-UHFFFAOYSA-N","368758",NA,"PDBC19549","639912","Present"
-"3-(3-Nitrophenyl)-6-(4-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-(3-Nitrophenyl)-6-(4-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C3N2NC(S3)C4=CC=C(C=C4)[N+](=O)[O-]","RYJHAYDJKMODAP-UHFFFAOYSA-N","400459",NA,"PDBC19550","712196","Present"
-"3-(3-Oxo-1,2-dihydroinden-5-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(3-oxoindan-5-yl)propanoic acid","","C1CC(=O)C2=C1C=CC(=C2)CCC(=O)O","ZFHOMCHOKGGURG-UHFFFAOYSA-N","384705",NA,"PDBC19551","674941","Present"
-"3-(3-Oxo-1-azabicyclo[2.2.2]oct-2-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(3-Oxo-1-azabicyclo[2.2.2]oct-2-yl)propanoic acid","","C1CN2CCC1C(=O)C2CCC(=O)O","JMELQOORLUXDCU-UHFFFAOYSA-N","379669",NA,"PDBC19552","664547","Present"
-"3-(3-Pyridyl)-6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 3-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate","","COC(=O)C1CCC2=NN=C(N12)C3=CN=CC=C3","LQSHBPSAYPMQOD-UHFFFAOYSA-N","366806",NA,"PDBC19553","635578","Present"
-"3-(3-{4-[(Heptan-4-yl)oxy]phenyl}propyl)-4-hydroxynaphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 2-hydroxy-3-[3-[4-(1-propyl-butoxy...","","CCCC(CCC)OC1=CC=C(C=C1)CCCC2=C(C3=CC=CC=C3C(=O)C2=O)O","OYUFWZISHLYUCO-UHFFFAOYSA-N","45028329",NA,"PDBC19554","742233","Present"
-"3-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenol","","","","","","","","","","","","","","","","","","","","3-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenol","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)O","YVSMVNPXTNBYHV-UHFFFAOYSA-N","362623",NA,"PDBC19555","626764","Present"
-"3-(4'-(2-(2,3-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(2,3-Dimethoxyphenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","COC1=CC=CC(=C1OC)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","HHAQKOZJVVKVLZ-UHFFFAOYSA-N","384557",NA,"PDBC19556","674571","Present"
-"3-(4'-(2-(2-Hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxyphenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","TYHGMDHBJYGUHH-UHFFFAOYSA-N","384545",NA,"PDBC19557","674559","Present"
-"3-(4'-(2-(2-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyphenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","COC1=CC=CC=C1C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","HWUFHERXCWEJJX-UHFFFAOYSA-N","384556",NA,"PDBC19558","674570","Present"
-"3-(4'-(2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(3,4-Dimethoxyphenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","COC1=C(C=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7)OC","CSMSXQHOZPHHBC-UHFFFAOYSA-N","384550",NA,"PDBC19559","674564","Present"
-"3-(4'-(2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(3-Chlorophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","VGSHYVIJNDVUFN-UHFFFAOYSA-N","384552",NA,"PDBC19560","674566","Present"
-"3-(4'-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","JWZGNRBHRFONQU-UHFFFAOYSA-N","384558",NA,"PDBC19561","674572","Present"
-"3-(4'-(2-(4-Hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(4-Hydroxy-3-methoxyphenyl)-3-[4-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]phenyl]-1,3-thiazolidin-4-one","","COC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7)O","TVRGVWFTEIFEHA-UHFFFAOYSA-N","384559",NA,"PDBC19562","674573","Present"
-"3-(4'-(2-(4-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(4-Methoxyphenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one","","COC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","GNXMXORDCSEAIQ-UHFFFAOYSA-N","384549",NA,"PDBC19563","674563","Present"
-"3-(4'-(2-(4-Methylphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-(p-tolyl)thiazolidin-4-one","","CC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","ALTFZRHJZWKTNP-UHFFFAOYSA-N","384548",NA,"PDBC19564","674562","Present"
-"3-(4'-(3-Oxo-2,4,5-triphenyl-1,4-cyclopentadien-1-yl)[1,1'-biphenyl]-4-yl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one","","","","","","","","","","","","","","","","","","","","3-[4-[4-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one","","C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)C4=CC=C(C=C4)C5=C(C(=O)C(=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","BCZAREHQAGMISD-UHFFFAOYSA-N","366054",NA,"PDBC19565","634228","Present"
-"3-(4'-(4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","JOCAIIVMSZKDFV-UHFFFAOYSA-N","384551",NA,"PDBC19566","674565","Present"
-"3-(4'-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4'-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone","","C1C(=O)N(C(S1)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","ZWRYQTGAFDQLJV-UHFFFAOYSA-N","384547",NA,"PDBC19567","674561","Present"
-"3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinecarbaldehyde oxime","","","","","","","","","","","","","","","","","","","","3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinecarbaldehyde oxime","","CC1(COC(=N1)C2=C(N=CC=C2)C=NO)C","AWAKNJYEGAZFLD-AWNIVKPZSA-N","135499207",NA,"PDBC19568","644867","Present"
-"3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N-(3-phenylpropoxy)propanamide","","","","","","","","","","","","","","","","","","","","3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N-(3-phenylpropoxy)propanamide","","C1=CC=C(C=C1)CCCONC(=O)CCN2C(=O)C(=C(C(=O)N2)Cl)Cl","GYSGZQRJZQQJNK-UHFFFAOYSA-N","365841",NA,"PDBC19569","633916","Present"
-"3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanenitrile","","","","","","","","","","","","","","","","","","","","3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanenitrile","","C(CN1C(=O)C(=C(C(=O)N1)Cl)Cl)C#N","KBEXTWHQQFQCHL-UHFFFAOYSA-N","365854",NA,"PDBC19570","633928","Present"
-"3-(4,5-Dichloro-3,6-dioxo-3,6-dihydro-1(2H)-pyridazinyl)-N-hydroxypropanamide","","","","","","","","","","","","","","","","","","","","3-(4,5-Dichloro-3,6-dioxo-3,6-dihydro-1(2H)-pyridazinyl)-N-hydroxypropanamide","","C(CN1C(=O)C(=C(C(=O)N1)Cl)Cl)C(=O)NO","SYJBUAIWHGLQLM-UHFFFAOYSA-N","364793",NA,"PDBC19571","631552","Present"
-"3-(4,5-Dihydro-2H-benzo[g]indazol-3-yl)-4,5-dihydro-2H-benzo[g]indazole","","","","","","","","","","","","","","","","","","","","3-(4,5-Dihydro-2H-benzo[g]indazol-3-yl)-4,5-dihydro-2H-benzo[g]indazole","","C1CC2=C(NN=C2C3=CC=CC=C31)C4=C5CCC6=CC=CC=C6C5=NN4","JNMBAEDGUYZRTI-UHFFFAOYSA-N","340788",NA,"PDBC19572","371869","Present"
-"3-(4,5-Dihydroxy-6-methyloxan-2-yl)-13-(2-morpholin-4-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","","","","","","","","","","","","","","","","","","","N-[2-(morpholin-4-yl)ethyl]-L-olivosyl-AF (1N)","","CC1C(C(CC(O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)CCN8CCOCC8)O)O","VWVOCUIMPBCGSR-UHFFFAOYSA-N","155806272",NA,"PDBC19573","782954","Present"
-"3-(4,5-Dimethylbenzo(h)-1,6-naphthyridin-2-yl)-2-methylquinolin-4-amine","","","","","","","","","","","","","","","","","","","","4-Quinolinamine, 3-(4,5-dimethylbenzo[h]-1,6-naphthyridi...","","CC1=CC(=NC2=C1C(=NC3=CC=CC=C32)C)C4=C(C5=CC=CC=C5N=C4C)N","HNAUTBFNKNNXKT-UHFFFAOYSA-N","335629",NA,"PDBC19574","345845","Present"
-"3-(4,9-Dioxo-3-phenylbenzo[f]benzimidazol-2-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(4,9-Dioxo-1-phenyl-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)propanoic acid","","C1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCC(=O)O","IRLFTYCKEWCNLX-UHFFFAOYSA-N","382886",NA,"PDBC19575","670763","Present"
-"3-(4-((2-(Hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyphenyl)-3-[4-[(2-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide","","COC1=CC=CC=C1NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5","LLQYRHHJXMFUCP-UHFFFAOYSA-N","372604",NA,"PDBC19576","647965","Present"
-"3-(4-((2-(Hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methylphenyl)-3-[4-[(2-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5","LZYQOVFIHFINLY-UHFFFAOYSA-N","372603",NA,"PDBC19577","647964","Present"
-"3-(4-((2-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(4-((2-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4Cl)C5=CC=CC=C5","ZDRKDISPYAFEAA-UHFFFAOYSA-N","370462",NA,"PDBC19578","643593","Present"
-"3-(4-((2-Ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(4-((2-Ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide","","CCOC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC(=C4)C)C5=CC=CC=C5","OCKINMVVEBMOLS-UHFFFAOYSA-N","372599",NA,"PDBC19579","647960","Present"
-"3-(4-((2-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[(2-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxopropanamide","","CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3OC)C","PGASFVQPYDAJNM-UHFFFAOYSA-N","386797",NA,"PDBC19580","679505","Present"
-"3-(4-((2-Methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(4-((2-Methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide","","CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4OC)C5=CC=CC=C5","UXAGMDVSEDKKFA-UHFFFAOYSA-N","369131",NA,"PDBC19581","640679","Present"
-"3-(4-((3,4-Dimethylphenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-(4-((3,4-Dimethylphenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide","","CC1=C(C=C(C=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=CC=C3)C)C","PXOFRWVFQSTSID-UHFFFAOYSA-N","386799",NA,"PDBC19582","679507","Present"
-"3-(4-((3,4-Dimethylphenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[(3,4-Dimethylphenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methoxyphenyl)-3-oxopropanamide","","CC1=C(C=C(C=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)OC)C)C","ATRWWZLIIDAYME-UHFFFAOYSA-N","386800",NA,"PDBC19583","679508","Present"
-"3-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacrylamide","","","","","","","","","","","","","","","","","","","","3-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacrylamide","","CN(C(=O)C=CC1=CC=C(C=C1)OCC2=CC(=CC=C2)Cl)O","NWYOAEXHNMHWPG-JXMROGBWSA-N","5469774",NA,"PDBC19584","692766","Present"
-"3-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacrylamide","","","","","","","","","","","","","","","","","","","","3-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacrylamide","","C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)C=CC(=O)NO","FEJIGKVFWRYZHC-RMKNXTFCSA-N","5469773",NA,"PDBC19585","692764","Present"
-"3-(4-((4-(3-Oxo-2,4,5-triphenyl-1,4-cyclopentadien-1-yl)phenyl)thio)phenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one","","","","","","","","","","","","","","","","","","","","3-[4-[4-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]sulfanylphenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one","","C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)SC4=CC=C(C=C4)C5=C(C(=O)C(=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","DCLRTKQYACTLIT-UHFFFAOYSA-N","16129768",NA,"PDBC19586","634229","Present"
-"3-(4-((4-(Aminosulfonyl)phenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-[3-Methyl-5-oxo-4-[(4-sulfamoylphenyl)diazenyl]-4H-pyrazol-1-yl]-3-oxo-N-phenylpropanamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)CC(=O)NC3=CC=CC=C3","YWQFEYCRQIYCMA-UHFFFAOYSA-N","372590",NA,"PDBC19587","647951","Present"
-"3-(4-((4-(Aminosulfonyl)phenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyphenyl)-3-[3-methyl-5-oxo-4-[(4-sulfamoylphenyl)diazenyl]-4H-pyrazol-1-yl]-3-oxopropanamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)CC(=O)NC3=CC=CC=C3OC","KYDNKKWZCGWICK-UHFFFAOYSA-N","372589",NA,"PDBC19588","647950","Present"
-"3-(4-((4-(Aminosulfonyl)phenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-3-[3-methyl-5-oxo-4-[(4-sulfamoylphenyl)diazenyl]-4H-pyrazol-1-yl]-3-oxopropanamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)CC(=O)NC3=CC(=CC=C3)Cl","OHRHOUOFJDCRGR-UHFFFAOYSA-N","372587",NA,"PDBC19589","647948","Present"
-"3-(4-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(2-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-3-[4-[(4-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide","","CC1=CC=CC=C1NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5","MJQAMSWGLOTTNK-UHFFFAOYSA-N","372605",NA,"PDBC19590","647966","Present"
-"3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide","","COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","JONJGODJNTYZTQ-UHFFFAOYSA-N","383187",NA,"PDBC19591","671308","Present"
-"3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","OJMMMDVCYDKEKS-UHFFFAOYSA-N","370460",NA,"PDBC19592","643591","Present"
-"3-(4-((4-Ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(4-((4-Ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide","","CCOC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC(=C4)C)C5=CC=CC=C5","BJAQMUQSJYOMHN-UHFFFAOYSA-N","372601",NA,"PDBC19593","647962","Present"
-"3-(4-((4-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[(4-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-N-phenylpropanamide","","CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3)C","SYHABPMUAFSJJO-UHFFFAOYSA-N","386792",NA,"PDBC19594","679500","Present"
-"3-(4-((4-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[(4-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxopropanamide","","CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3OC)C","YIGYEWKYMRYGEP-UHFFFAOYSA-N","386794",NA,"PDBC19595","679502","Present"
-"3-(4-((4-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[(4-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide","","CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=C(C=C3)C)C","SPNIVWLVNYTIJT-UHFFFAOYSA-N","386793",NA,"PDBC19596","679501","Present"
-"3-(4-(1-Hydroxy-1-methylpropyl)-1H-1,2,3-triazol-1-yl)benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-(4-(1-Hydroxy-1-methylpropyl)-1H-1,2,3-triazol-1-yl)benzenesulfonic acid","","CCC(C)(C1=CN(N=N1)C2=CC(=CC=C2)S(=O)(=O)O)O","HRLIIXTWPBFYTI-UHFFFAOYSA-N","365360",NA,"PDBC19597","632945","Present"
-"3-(4-(2-((Tert-Butyl(dimethyl)silyl)oxy)-4-oxocyclopentyl)butyl)-4-isopropylcyclohexanone","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-[4-[3-(4-isopropylcyclohexanony)butyl]]cyclo...","","CC(C)C1CCC(=O)CC1CCCCC2CC(=O)CC2O[Si](C)(C)C(C)(C)C","YFMIIKKOFCPZSV-UHFFFAOYSA-N","496447",NA,"PDBC19598","689227","Present"
-"3-(4-(2-(2,3-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(2-(2,3-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","COC1=CC=CC(=C1OC)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","QBZPCUZXDWNEHH-UHFFFAOYSA-N","384572",NA,"PDBC19599","674586","Present"
-"3-(4-(2-(2-Hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(2-(2-Hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","WPSHKLKNEQMNMT-UHFFFAOYSA-N","384560",NA,"PDBC19600","674574","Present"
-"3-(4-(2-(2-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(2-(2-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","COC1=CC=CC=C1C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","CYJMVQCLZZZIRG-UHFFFAOYSA-N","384571",NA,"PDBC19601","674585","Present"
-"3-(4-(2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","COC1=C(C=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6)OC","ZFYSDTDGZJYWPU-UHFFFAOYSA-N","384565",NA,"PDBC19602","674579","Present"
-"3-(4-(2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","C1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","MZMJALGIFBEPPO-UHFFFAOYSA-N","384567",NA,"PDBC19603","674581","Present"
-"3-(4-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","WVGKBUNWLIAVAN-UHFFFAOYSA-N","384573",NA,"PDBC19604","674587","Present"
-"3-(4-(2-(4-Hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(2-(4-Hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","COC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6)O","CRXISCBBPOEXDT-UHFFFAOYSA-N","384574",NA,"PDBC19605","674588","Present"
-"3-(4-(2-(4-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(2-(4-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","COC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","WTOCTUJOUPZCNG-UHFFFAOYSA-N","384564",NA,"PDBC19606","674578","Present"
-"3-(4-(2-(4-Methylphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(2-(4-Methylphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","CC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","DINPZUYZSFWANO-UHFFFAOYSA-N","384563",NA,"PDBC19607","674577","Present"
-"3-(4-(2-Cyanoethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,4-dichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(4-(2-Cyanoethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,4-dichlorophenyl)propanamide","","C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC2=NNC(=S)N2CCC#N","BRZYRZIJZTXGOL-UHFFFAOYSA-N","3004076",NA,"PDBC19608","625835","Present"
-"3-(4-(2-Hydroxyethyl)-1-piperazinyl)hexanedinitrile","","","","","","","","","","","","","","","","","","","","3-(4-(2-Hydroxyethyl)-1-piperazinyl)hexanedinitrile","","C1CN(CCN1CCO)C(CCC#N)CC#N","QPHIDCFLXKAZFO-UHFFFAOYSA-N","379573",NA,"PDBC19609","664260","Present"
-"3-(4-(2-Oxo-2-(4-phenyl-1-piperazinyl)ethoxy)phenyl)-1-phenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1-phenyl-prop-2-en-1-one","","C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C=CC(=O)C4=CC=CC=C4","FRXRUVNVFQKNNB-DTQAZKPQSA-N","5466903",NA,"PDBC19610","645389","Present"
-"3-(4-(3-(4-(3-Oxo-3-phenyl-1-propenyl)phenoxy)propoxy)phenyl)-1-phenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-[4-[3-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenoxy]propoxy]phenyl]-1-phenyl-prop-2-en-1-one","","C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=CC=C4","PGRWJZWSBPJOHK-LKNRODPVSA-N","5467237",NA,"PDBC19611","648891","Present"
-"3-(4-(4-(3-Oxo-2,4,5-triphenyl-1,4-cyclopentadien-1-yl)benzyl)phenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one","","","","","","","","","","","","","","","","","","","","3-[4-[[4-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]methyl]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one","","C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)CC4=CC=C(C=C4)C5=C(C(=O)C(=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","UYRJPOGVAFQNTP-UHFFFAOYSA-N","366055",NA,"PDBC19612","634230","Present"
-"3-(4-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole","","","","","","","","","","","","","","","","","","","","3-(4-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole","","COC1=CC=C(C=C1)N2C=NN=C2C3=NSC4=CC=CC=C43","YIJFSVQLPSTVEN-UHFFFAOYSA-N","374735",NA,"PDBC19613","652927","Present"
-"3-(4-(4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","YJLVFLZMMHOCGQ-UHFFFAOYSA-N","384566",NA,"PDBC19614","674580","Present"
-"3-(4-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone","","C1C(=O)N(C(S1)C2=CC=CC=C2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","RLQWXZKWKSUFNM-UHFFFAOYSA-N","384562",NA,"PDBC19615","674576","Present"
-"3-(4-(5,6,7,8-Tetrahydro-1,2,4-benzotriazin-3-yl)butyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine","","","","","","","","","","","","","","","","","","","","1,2,4-Benzotriazine, 3,3'-(1,4-butanediyl)bis[5,6,7,8-te...","","C1CCC2=C(C1)N=C(N=N2)CCCCC3=NC4=C(CCCC4)N=N3","ZRWCAMFKPMJKTC-UHFFFAOYSA-N","353049",NA,"PDBC19616","600067","Present"
-"3-(4-(5-Methoxy-1H-benzo[d]imidazol-2-yl)phenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","3-(4-(5-methoxy-1H-benzo[d]imidazol-2-yl)phenyl)-5-(3,4,...","","COC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=NOC(=N4)C5=CC(=C(C(=C5)OC)OC)OC","QDJALYKFFBNQSC-UHFFFAOYSA-N","118624714",NA,"PDBC19617","761814","Present"
-"3-(4-(6-(4-(3-Oxo-2,4,5-triphenyl-1,4-cyclopentadien-1-yl)phenyl)hexyl)phenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one","","","","","","","","","","","","","","","","","","","","3-[4-[6-[4-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]hexyl]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one","","C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)CCCCCCC4=CC=C(C=C4)C5=C(C(=O)C(=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","UAMDPBYEVJYZAH-UHFFFAOYSA-N","365548",NA,"PDBC19618","633254","Present"
-"3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylamide","","","","","","","","","","","","","","","","","","","","3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylamide","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)N)NC(=O)C=CC2=CC=CC=C2","WKVVCKSPVDUDAC-MUXFZUAMSA-N","6477344",NA,"PDBC19619","645674","Present"
-"3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(2-chlorophenyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(2-chlorophenyl)acrylamide","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=CC(=O)NC2=CC=CC=C2Cl","RXMFOKVXCVDROK-PKNBQFBNSA-N","5934335",NA,"PDBC19620","641099","Present"
-"3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(3-chlorophenyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(3-chlorophenyl)acrylamide","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=CC(=O)NC2=CC(=CC=C2)Cl","NIDJPUMVSVJERZ-CSKARUKUSA-N","6143820",NA,"PDBC19621","641100","Present"
-"3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(3-methylphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(3-methylphenyl)acrylamide","","CC1=CC(=CC=C1)NC(=O)C=CC2=C(C=C(C=C2)N(CCC#N)CCC#N)C","BFYFHXVEXSOEFG-PKNBQFBNSA-N","6149003",NA,"PDBC19622","641098","Present"
-"3-(4-(Dimethylamino)phenyl)-2-phenylacrylonitrile","","","","","","","","","","","","","","","","","","","","NSC15785///NSC636948///2-Propenenitrile, 3-[4-(dimethylamino)phenyl]- 2-phenyl-","","CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2","HYAJIHDALOHMPT-FOWTUZBSSA-N","5377203",NA,"PDBC19623","15785///636948///667261","Present"
-"3-(4-(Dimethylamino)phenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione","","","","","","","","","","","","","","","","","","","","3-(4-(Dimethylamino)phenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione","","CN(C)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)SC2=S","DJWXJQJTFZVOEH-UHFFFAOYSA-N","383237",NA,"PDBC19624","671352","Present"
-"3-(4-(Hydroxy(oxido)amino)phenyl)-N-(2-phenyl-3-((triisopropylsilyl)oxy)-2-cyclohexen-1-yl)acrylamide","","","","","","","","","","","","","","","","","","","","(E)-3-(4-Nitrophenyl)-N-[2-phenyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]prop-2-enamide","","CC(C)[Si](C(C)C)(C(C)C)OC1=C(C(CCC1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3","IRPIUZBTCRUAMV-LVZFUZTISA-N","5468943",NA,"PDBC19625","679540","Present"
-"3-(4-Amino-2-anilino-1,3-thiazole-5-carbonyl)chromen-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Amino-2-anilino-thiazole-5-carbonyl)chromen-2-one","","C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC4=CC=CC=C4OC3=O)N","WZXNMGOIRGCGJJ-UHFFFAOYSA-N","399014",NA,"PDBC19626","709435","Present"
-"3-(4-Amino-5-imino-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(4-Amino-5-imino-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide","","C1=CC(=C(C=C1Cl)NC(=O)CCC2=NN=C(N2N)N)Cl","HZQNPMNVGSRMJS-UHFFFAOYSA-N","366860",NA,"PDBC19627","635839","Present"
-"3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone","","CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)N","IKZNGMCVEWMUAH-UHFFFAOYSA-N","380116",NA,"PDBC19628","665518","Present"
-"3-(4-Benzyloxy-3-methoxy-phenyl)-1-(3,4-dimethoxy-phenyl)-propenone","","","","","","","","","","","","","","","","","","","","3-(4-Benzyloxy-3-methoxy-phenyl)-1-(3,4-dimethoxy-phenyl)-propenone","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OC","MVZHHFFBTZUAQB-FMIVXFBMSA-N","5999049",NA,"PDBC19629","204992","Present"
-"3-(4-Bromo-3-chlorophenyl)-2-sulfanylidene-1,3-thiazinan-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Bromo-3-chlorophenyl)-2-sulfanylidene-1,3-thiazinan-4-one","","C1CSC(=S)N(C1=O)C2=CC(=C(C=C2)Br)Cl","LZPJPWZKPZRBHN-UHFFFAOYSA-N","324618",NA,"PDBC19630","290718","Present"
-"3-(4-Bromoanilino)-11-[3-(4-bromoanilino)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-triene-5-thione","","","","","","","","","","","","","","","","","","","","3-(4-Bromoanilino)-11-[3-(4-bromoanilino)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-triene-5-thione","","C1CN(CC2=C1C3=C(NC(=S)N=C3S2)NC4=CC=C(C=C4)Br)N5CCC6=C(C5)SC7=NC(=S)NC(=C67)NC8=CC=C(C=C8)Br","FZPBOJXWEMDOTH-UHFFFAOYSA-N","5470735",NA,"PDBC19631","704850","Present"
-"3-(4-Bromoanilino)-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5-ol","","","","","","","","","","","","","","","","","","","","3-(4-Bromoanilino)-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5-ol","","COC1=C(C=C(C=C1)CC2=NN=C(NC2=O)NC3=CC=C(C=C3)Br)OC","XMCQSTRQUCXCTB-UHFFFAOYSA-N","135409050",NA,"PDBC19632","657172","Present"
-"3-(4-Bromophenoxy)propane-1,2-diol","","","","","","","","","","","","","","","","","","","","AS-30619","","C1=CC(=CC=C1OCC(CO)O)Br","FZGZDDRZAZBANV-UHFFFAOYSA-N","113926",NA,"PDBC19633","635830","Present"
-"3-(4-Bromophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C3=CC=C(C=C3)Br)[O-]","XZMHMNUFXCZDAV-UHFFFAOYSA-N","135491638",NA,"PDBC19634","621743","Present"
-"3-(4-Bromophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid","","C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)I)Br","BCGKXGQZPPCQNA-UHFFFAOYSA-N","336954",NA,"PDBC19635","353283","Present"
-"3-(4-Bromophenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-(4-bromophenyl)-7-hydroxycyclohepta-2,4,6-trien-1-one","","C1=CC(=C(C(=O)C=C1)O)C2=CC=C(C=C2)Br","VKXKMUQYQLPIJD-UHFFFAOYSA-N","155813775",NA,"PDBC19636","794226","Present"
-"3-(4-Bromophenyl)-2-phenyl-3a,4-dihydro-3H-thiochromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)-2-phenyl-2,3,3a,4-tetrahydrothiochromeno[4,3-c]pyrazole","","C1C2C(N(N=C2C3=CC=CC=C3S1)C4=CC=CC=C4)C5=CC=C(C=C5)Br","AFHSHLMTBPFEII-UHFFFAOYSA-N","403885",NA,"PDBC19637","719469","Present"
-"3-(4-Bromophenyl)-3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethylpropanamide","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)-3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethylpropanamide","","CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=C(C=C2)Br)C(C(=O)N(C)C)(F)F","JHYSCKGAWNRZPF-UHFFFAOYSA-N","395448",NA,"PDBC19638","699993","Present"
-"3-(4-Bromophenyl)-4,5-diphenyl-1,3-oxazol-2(3H)-one","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)-4,5-diphenyl-1,3-oxazol-2(3H)-one","","C1=CC=C(C=C1)C2=C(OC(=O)N2C3=CC=C(C=C3)Br)C4=CC=CC=C4","HQKONGPGBABXSG-UHFFFAOYSA-N","394814",NA,"PDBC19639","698616","Present"
-"3-(4-Bromophenyl)-5-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)-5-(2-furylmethyl)-1,3,5-thiadiazinane-2-thione","","C1N(CSC(=S)N1C2=CC=C(C=C2)Br)CC3=CC=CO3","KOLDFVMDJNKWBQ-UHFFFAOYSA-N","399775",NA,"PDBC19640","710870","Present"
-"3-(4-Bromophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=C(C=C3)Br)N)[O-]","JIZYTQPMPBCPRP-UHFFFAOYSA-N","135495032",NA,"PDBC19641","621721","Present"
-"3-(4-Bromophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=C(C=C3)Br)N)[O-]","HZOJRMFUCFXRHH-UHFFFAOYSA-N","135503392",NA,"PDBC19642","621734","Present"
-"3-(4-Bromophenyl)-7-methoxy-1,1-dimethyl-1H-cyclopenta[b]quinoxaline","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)-7-methoxy-1,1-dimethyl-1H-cyclopenta[b]quinoxaline","","CC1(C=C(C2=NC3=C(C=C(C=C3)OC)N=C21)C4=CC=C(C=C4)Br)C","HPHBODYRIWRPDA-UHFFFAOYSA-N","387007",NA,"PDBC19643","680320","Present"
-"3-(4-Bromophenyl)spiro[6,9-dihydro-4H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-8-one","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)spiro[6,9-dihydro-4H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-8-one","","C1C(=NN=C2N1NC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2)C6=CC=C(C=C6)Br","WSEHWGRLZMPEOM-UHFFFAOYSA-N","135409202",NA,"PDBC19644","666167","Present"
-"3-(4-Carboxy-3-hydroxyphenyl)aminomethylene-2-ethoxychroman-4-one","","","","","","","","","","","","","","","","","","","","3-(4-carboxy-3-hydroxyphenyl)aminomethylene-2-ethoxychro...","","CCOC1C(=CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)C3=CC=CC=C3O1","OHQGTRVJZXNWEV-GXDHUFHOSA-N","3001327",NA,"PDBC19645","731163","Present"
-"3-(4-Carboxyanilino)-2-quinoxalinecarboxylic acid","","","","","","","","","","","","","","","","","","","","3-(4-Carboxyanilino)-2-quinoxalinecarboxylic acid","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)O)C(=O)O","LWQATOCZIYNKOK-UHFFFAOYSA-N","382852",NA,"PDBC19646","670682","Present"
-"3-(4-Carboxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(4-Carboxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid","","C1=CC(=CC=C1C(=O)O)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O","XADYISYHSFTIEF-UHFFFAOYSA-N","389430",NA,"PDBC19647","685512","Present"
-"3-(4-Chloro-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(4-Chloro-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one","","CC1=C(C=CC(=C1)Cl)C2C3=C(C4=CC=CC=C4C=C3)C(=O)O2","RLYURHIHTZRGEX-UHFFFAOYSA-N","369147",NA,"PDBC19648","640733","Present"
-"3-(4-Chloro-3-methylphenoxy)-2-(4-methylphenyl)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide","","","","","","","","","","","","","","","","","","","","3-(4-Chloro-3-methylphenoxy)-2-(4-methylphenyl)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide","","CC1=CC=C(C=C1)N2CC3=C(C=CC4=CC=CC=C34)OP2(=O)OC5=CC(=C(C=C5)Cl)C","QBNYOUPJZHTFNB-UHFFFAOYSA-N","360393",NA,"PDBC19649","622458","Present"
-"3-(4-Chloro-5-methyl-2-propylsulfanylphenyl)sulfonyl-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","1-{[4-Chloro-5-methyl-2-(propylsulfanyl)phenyl]sulfonyl}-1,3-dihydro-2h-imidazol-2-one","","CCCSC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)N2C=CNC2=O","GXSPRSKUNVOYFD-UHFFFAOYSA-N","387407",NA,"PDBC19650","681157","Present"
-"3-(4-Chloro-6-phenoxy-1,3,5-triazin-2-yl)-1-phenylindole","","","","","","","","","","","","","","","","","","","","Indole, 3-(4-chloro-6-phenoxy-s-triazin-2-yl)-1-phenyl-","","C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C4=NC(=NC(=N4)Cl)OC5=CC=CC=C5","REJGCRNOTRCITB-UHFFFAOYSA-N","285449",NA,"PDBC19651","142335","Present"
-"3-(4-Chloro-m-tolyloxy)-1,2-propanediol","","","","","","","","","","","","","","","","","","","","LS-120291","","CC1=C(C=CC(=C1)OCC(CO)O)Cl","NZGGNOPKFAEZDI-UHFFFAOYSA-N","113940",NA,"PDBC19652","635829","Present"
-"3-(4-Chloro-phenoxy)-4-phenyl-7-acetoxy-coumarin","","","","","","","","","","","","","","","","","","","","3-(4-Chloro-phenoxy)-4-phenyl-7-acetoxy-coumarin","","CC(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4","QNPBKJAMEXFECL-UHFFFAOYSA-N","386367",NA,"PDBC19653","678251","Present"
-"3-(4-Chloro-phenoxy)-7-acetoxycoumarin","","","","","","","","","","","","","","","","","","","","3-(4-Chloro-phenoxy)-7-acetoxycoumarin","","CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC=C(C=C3)Cl","OZSGZTFBYXXKIX-UHFFFAOYSA-N","386364",NA,"PDBC19654","678248","Present"
-"3-(4-Chloro-phenoxy)-7-methoxycoumarin","","","","","","","","","","","","","","","","","","","","3-(4-Chloro-phenoxy)-7-methoxycoumarin","","COC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC=C(C=C3)Cl","JJQBRFWMQZJBTL-UHFFFAOYSA-N","386368",NA,"PDBC19655","678252","Present"
-"3-(4-Chloro-phenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","3-(4-Chloro-phenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","C1C(=NN2C(=NN=C2S1)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4","PFQQNQWWWVYCAW-UHFFFAOYSA-N","367879",NA,"PDBC19656","638045","Present"
-"3-(4-Chloro-phenyl)-3-(2,4-d imethyl-phenyl)-propan-1-one","","","","","","","","","","","","","","","","","","","","3-(4-Chloro-phenyl)-3-(2,3-dichloro-phenylsulfanyl)-1-(3...","","CC1=C(C=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)SC3=C(C(=CC=C3)Cl)Cl)C","YOYGQQHSMZPWOZ-UHFFFAOYSA-N","4647106",NA,"PDBC19657","727954","Present"
-"3-(4-Chloro-phenyl)-5-nitroquinazoline-2,4(1h,3h)-dione","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-5-nitroquinazoline-2,4(1h,3h)-dione","","C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl","FGTVCNWZCQXRPV-UHFFFAOYSA-N","403979",NA,"PDBC19658","719970","Present"
-"3-(4-Chloro-phenyl)-6-[5-(4-nitro-phenyl)-furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","3-(4-Chloro-phenyl)-6-[5-(4-nitro-phenyl)-furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","C1C(=NN2C(=NN=C2S1)C3=CC=C(C=C3)Cl)C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]","HWLDNESYOWAQGS-UHFFFAOYSA-N","367881",NA,"PDBC19659","638047","Present"
-"3-(4-Chlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","3-(4-Chlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde","","C1CN(C(=S)N1C=O)C(=O)C2=CC=C(C=C2)Cl","ZMJBTULEWBRIOB-UHFFFAOYSA-N","396748",NA,"PDBC19660","703458","Present"
-"3-(4-Chlorobenzoyl)propionic acid","","","","","","","","","","","","","","","","","","","","AI3-07203","","C1=CC(=CC=C1C(=O)CCC(=O)O)Cl","AHVASTJJVAYFPY-UHFFFAOYSA-N","77604",NA,"PDBC19661","5137","Present"
-"3-(4-Chlorobenzoyloxy)-7-(2-chlorophenyl)-1-hydroxy-2,8,9-tetrakis(methoxycarbonyl)bicyclo[3.3.1]non-3-ene","","","","","","","","","","","","","","","","","","","","3-(4-Chlorobenzoyloxy)-7-(2-chlorophenyl)-1-hydroxy-2,4,...","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)OC(=O)C3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4Cl","BAUHNBPMZSBCLH-UXPFSPKWSA-N","24204891",NA,"PDBC19662","733345","Present"
-"3-(4-Chlorobenzoyloxy)-7-(2-trifluoromethylphenyl)-1-hydroxy-2,8,9-tetrakis(methoxycarbonyl)bicyclo[3.3.1]non-3-ene","","","","","","","","","","","","","","","","","","","","3-(4-Chlorobenzoyloxy)-7-(2-trifluoromethylphenyl)-1-hyd...","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)OC(=O)C3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4C(F)(F)F","ONGLEULSQGOKBU-UXPFSPKWSA-N","24204894",NA,"PDBC19663","733348","Present"
-"3-(4-Chlorobenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3-(4-Chlorobenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","C1=CC=C2C(=C1)C(=O)N3C(=CC4=CC=C(C=C4)Cl)C(=O)NC3=N2","AZBWKYULZOAEOJ-NTEUORMPSA-N","135493947",NA,"PDBC19664","684347","Present"
-"3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxychromen-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one","","COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O","UQGFXRSDFDICDR-UHFFFAOYSA-N","395148",NA,"PDBC19665","699448","Present"
-"3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)chromen-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)chromen-2-one","","C1=CC=C2C(=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O","YPGNQFNOZULWTR-UHFFFAOYSA-N","395146",NA,"PDBC19666","699446","Present"
-"3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]-7-methoxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]-7-methoxy-chromen-2-one","","CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC)OC4=CC=C(C=C4)Cl","BONRLZCXTLXLKF-UHFFFAOYSA-N","395152",NA,"PDBC19667","699452","Present"
-"3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]chromen-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]chromen-2-one","","CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=CC=CC=C32)OC4=CC=C(C=C4)Cl","NFSBFQFDOKDHPK-UHFFFAOYSA-N","395150",NA,"PDBC19668","699450","Present"
-"3-(4-Chlorophenoxy)-4-hydroxy-7-methoxycoumarin","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenoxy)-4-hydroxy-7-methoxycoumarin","","COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)O","HRZYIVPBPDIVMV-UHFFFAOYSA-N","54680444",NA,"PDBC19669","678253","Present"
-"3-(4-Chlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]","","CC1=CC=C(C=C1)NC(=O)OCC(COC2=CC=C(C=C2)Cl)OC(=O)NC3=CC=C(C=C3)C","YSBRQTZWSCEGIV-UHFFFAOYSA-N","366846",NA,"PDBC19670","635823","Present"
-"3-(4-Chlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide","","C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl","OGOHZZBNMZQPRK-UHFFFAOYSA-N","401413",NA,"PDBC19671","715065","Present"
-"3-(4-Chlorophenyl)-1,2-diphenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","(E)-3-(4-chlorophenyl)-1,2-diphenyl-prop-2-en-1-one","","C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3","CFOUQRQVAWHVTI-HMMYKYKNSA-N","5466800",NA,"PDBC19672","643132","Present"
-"3-(4-Chlorophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C3=CC=C(C=C3)Cl)[O-]","MKMGYSWIFGQMKN-UHFFFAOYSA-N","135416920",NA,"PDBC19673","621719","Present"
-"3-(4-Chlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione","","","","","","","","","","","","","","","","","","","","3-(4-chlorophenyl)-1,6-dimethylpyrimido[5,6-e][1,2,4]tri...","","CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)Cl)C","UCEGDYDPOSBUTP-UHFFFAOYSA-N","460749",NA,"PDBC19674","749675","Present"
-"3-(4-Chlorophenyl)-1-(4-pyridinyl)-2-propen-1-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-1-(4-pyridinyl)-2-propen-1-one","","C1=CC(=CC=C1C=CC(=O)C2=CC=NC=C2)Cl","ZCYFIXMUCMZFLU-ZZXKWVIFSA-N","6112169",NA,"PDBC19675","640533","Present"
-"3-(4-Chlorophenyl)-1-[(E)-2-(2-furyl)vinyl]pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-1-[(E)-2-(2-furyl)vinyl]pyrazino[1,2-a]benzimidazole","","C1=CC=C2C(=C1)N=C3N2C=C(N=C3C=CC4=CC=CO4)C5=CC=C(C=C5)Cl","LPSFVDCTKAKJMD-VAWYXSNFSA-N","5471217",NA,"PDBC19676","709479","Present"
-"3-(4-Chlorophenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole","","C1=CC=C2C(=C1)N=C3N2C=C(N=C3C=CC4=CC=CS4)C5=CC=C(C=C5)Cl","CMBTXTXSKJVUAF-VAWYXSNFSA-N","5471219",NA,"PDBC19677","709481","Present"
-"3-(4-Chlorophenyl)-1-[(E)-2-(4-chlorophenyl)vinyl]pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-1-[(E)-2-(4-chlorophenyl)vinyl]pyrazino[1,2-a]benzimidazole","","C1=CC=C2C(=C1)N=C3N2C=C(N=C3C=CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","PHLUJQIPOUPQMU-VGOFMYFVSA-N","5471209",NA,"PDBC19678","709471","Present"
-"3-(4-Chlorophenyl)-1-mesityl-2-methyl-3-phenyl-1-propanone","","","","","","","","","","","","","","","","","","","","NSC644636///2-Methyl-3(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylph...","","CC1=CC(=C(C(=C1)C)C(=O)C(C)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C","MQPDAQDNDOOPHZ-UHFFFAOYSA-N","370901",NA,"PDBC19679","644636///644641","Present"
-"3-(4-Chlorophenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole","","C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)OCCN5CCCCC5)C6=CC=C(C=C6)Cl","SYCXKBSWUDJTMU-UHFFFAOYSA-N","399074",NA,"PDBC19680","709485","Present"
-"3-(4-Chlorophenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole","","C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=CC=C4)C5=CC=C(C=C5)Cl","FSZRAQTWXJKTEL-UHFFFAOYSA-N","390237",NA,"PDBC19681","687529","Present"
-"3-(4-Chlorophenyl)-1-phenylpyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","AJ-131/36477019","","C1=CC=C(C=C1)C2=NC(=CN3C2=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl","YDDCEKLWCMVLRN-UHFFFAOYSA-N","384476",NA,"PDBC19682","674278","Present"
-"3-(4-Chlorophenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","CN1C2=CC=CC=C2N3C1=NN=C(C3=O)C4=CC=C(C=C4)Cl","VXTDTHPWHFINPR-UHFFFAOYSA-N","386673",NA,"PDBC19683","679200","Present"
-"3-(4-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=CC=C(C=C4)Cl","QYGYWTAXSUDPBS-UHFFFAOYSA-N","375559",NA,"PDBC19684","655347","Present"
-"3-(4-Chlorophenyl)-2-(2-dimethylaminoethyl)-3-hydroxy-isoindolin-1-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-(2-dimethylaminoethyl)-3-hydroxy-isoindolin-1-one","","CN(C)CCN1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)Cl)O.Cl","JYVPYWXBQUDKTF-UHFFFAOYSA-N","388685",NA,"PDBC19685","683710","Present"
-"3-(4-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl","JFPPUEPRGHWFOQ-UHFFFAOYSA-N","401406",NA,"PDBC19686","715058","Present"
-"3-(4-Chlorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile","","C1=CC=C2C(=C1)C(=O)NC(=N2)C(=CC3=CC=C(C=C3)Cl)C#N","NKDNNYIWEHNPBU-FMIVXFBMSA-N","135468676",NA,"PDBC19687","684970","Present"
-"3-(4-Chlorophenyl)-2-(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole","","COC1=CC=C(C=C1)N2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC=C(C=C5)Cl","JNTPYVZPPWCPLS-UHFFFAOYSA-N","390238",NA,"PDBC19688","687530","Present"
-"3-(4-Chlorophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid","","C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)I)Cl","BLXXGFNMRNZIDG-UHFFFAOYSA-N","336957",NA,"PDBC19689","353286","Present"
-"3-(4-Chlorophenyl)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-[[4-(4-chlorophenyl)thiazol-2-yl]methyl]quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)N(C(=N2)CC3=NC(=CS3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","RMEKFIRIZBZTGS-UHFFFAOYSA-N","397925",NA,"PDBC19690","706981","Present"
-"3-(4-Chlorophenyl)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-[[4-(4-methoxyphenyl)thiazol-2-yl]methyl]quinazolin-4-one","","COC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl","UNWZIDBAHUPTCX-UHFFFAOYSA-N","397924",NA,"PDBC19691","706980","Present"
-"3-(4-Chlorophenyl)-2-ethyl-3-hydroxy-1-isoindolinone","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-2-ethyl-3-hydroxy-1-isoindolinone","","CCN1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)Cl)O","MJAKMPIGOMJSJO-UHFFFAOYSA-N","395642",NA,"PDBC19692","700424","Present"
-"3-(4-Chlorophenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one","","C1CCC2=C(C1)C3=C(S2)N=C4CN(C=NN4C3=O)C5=CC=C(C=C5)Cl","RXANQZOMZWVURT-UHFFFAOYSA-N","390742",NA,"PDBC19693","688501","Present"
-"3-(4-Chlorophenyl)-3-cyano-N-(2-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-3-cyano-N-(2-methylphenyl)-2-oxopropanamide","","CC1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=CC=C(C=C2)Cl","JZYJFABBUMCDRC-UHFFFAOYSA-N","366966",NA,"PDBC19694","636128","Present"
-"3-(4-Chlorophenyl)-3-cyano-N-(3,4-dichlorophenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-3-cyano-N-(3,4-dichlorophenyl)-2-oxopropanamide","","C1=CC(=CC=C1C(C#N)C(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl","COENYRMXXJLMLM-UHFFFAOYSA-N","366972",NA,"PDBC19695","636134","Present"
-"3-(4-Chlorophenyl)-3-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-3-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropanamide","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC=C(C=C3)Cl","DLOMRGWAUIWNTE-UHFFFAOYSA-N","366749",NA,"PDBC19696","635522","Present"
-"3-(4-Chlorophenyl)-3-hydroxy-2-(2-hydroxy-1,1-dimethyl-ethyl)isoindolin-1-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-3-hydroxy-2-(2-hydroxy-1,1-dimethyl-ethyl)isoindolin-1-one","","CC(C)(CO)N1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)Cl)O","RKVRIELGCVCCAR-UHFFFAOYSA-N","388687",NA,"PDBC19697","683711","Present"
-"3-(4-Chlorophenyl)-4-(4-fluorophenyl)-6-phenyl-2-pyridinamine","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-4-(4-fluorophenyl)-6-phenylpyridin-2-amine","","C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl)N","BLVFWOZMTGSELI-UHFFFAOYSA-N","388616",NA,"PDBC19698","683627","Present"
-"3-(4-Chlorophenyl)-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione","","C1=CC(=CC=C1C2=CC=C(O2)C=NN3C(=NNC3=S)C4=CC=C(C=C4)Cl)[N+](=O)[O-]","ABBCHJOXFDNERT-SRZZPIQSSA-N","9570063",NA,"PDBC19699","638050","Present"
-"3-(4-Chlorophenyl)-4-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-4-methyl-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-4H-1,2,4-triazole","","CN1C=NC(=C1SC2=NN=C(N2C)C3=CC=C(C=C3)Cl)[N+](=O)[O-]","XGUFJFGSOXKBJA-UHFFFAOYSA-N","364625",NA,"PDBC19700","631159","Present"
-"3-(4-Chlorophenyl)-5-((methylthio)methyl)-4,5-dihydroisoxazole","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-5-((methylthio)methyl)-4,5-dihydroisoxazole","","CSCC1CC(=NO1)C2=CC=C(C=C2)Cl","NQLPWGPUJVRTJS-UHFFFAOYSA-N","368753",NA,"PDBC19701","639907","Present"
-"3-(4-Chlorophenyl)-5-(2,5-dihydroxyphenyl)-1-phenylpyrazole","","","","","","","","","","","","","","","","","","","","2-[5-(4-Chlorophenyl)-2-phenylpyrazol-3-yl]benzene-1,4-diol","","C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)O)O","CIWXARNBSXBHLE-UHFFFAOYSA-N","135585509",NA,"PDBC19702","731812","Present"
-"3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole","","","","","","","","","","","","","","","","","","","","3-(4-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole","","COC1=CC(=C(C=C1)OC)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl","YDLJGGIUQYIPPQ-UHFFFAOYSA-N","24204419",NA,"PDBC19703","731803","Present"
-"3-(4-Chlorophenyl)-5-(3,4-dichlorophenyl)-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-5-(3,4-dichlorophenyl)-1H-imidazol-2-one","","C1=CC(=CC=C1N2C=C(NC2=O)C3=CC(=C(C=C3)Cl)Cl)Cl","XTFZRCJHKGRWTN-UHFFFAOYSA-N","44446876",NA,"PDBC19704","740125","Present"
-"3-(4-Chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione","","COC1=C(C=C(C=C1)C2=CN(C(=S)N2)C3=CC=C(C=C3)Cl)OC","RDTQLNRKXHWWEI-UHFFFAOYSA-N","44446879",NA,"PDBC19705","741354","Present"
-"3-(4-Chlorophenyl)-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4H-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-1,2,4-triazole","","CN1C=NC(=C1SC2=NNC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]","QNWULRRDRBFNAR-UHFFFAOYSA-N","364627",NA,"PDBC19706","631161","Present"
-"3-(4-Chlorophenyl)-5-cyclohexyl-4,5-dihydroisoxazole","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-5-cyclohexyl-4,5-dihydroisoxazole","","C1CCC(CC1)C2CC(=NO2)C3=CC=C(C=C3)Cl","FHRULMOUJPPDEJ-UHFFFAOYSA-N","368750",NA,"PDBC19707","639904","Present"
-"3-(4-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine","","CC1=NN2C(=NN=C2NC(C1)(C)C)C3=CC=C(C=C3)Cl","QBWWXNNHMBGFNT-UHFFFAOYSA-N","369066",NA,"PDBC19708","640623","Present"
-"3-(4-Chlorophenyl)-6-(5-(hydroxy(oxido)amino)-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3-(4-chlorop...","","C1C(=NN2C(=NN=C2S1)C3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-]","FBOLUDBCPRWEIO-UHFFFAOYSA-N","364212",NA,"PDBC19709","629974","Present"
-"3-(4-Chlorophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one","","","","","","","","","","","","","","","","","","","","7-(4-Chlorophenyl)-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile","","C1C(NNC(=C(C1=O)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)Cl","KSNQKILBMGAVMP-UHFFFAOYSA-N","363798",NA,"PDBC19710","629012","Present"
-"3-(4-Chlorophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=C(C=C3)Cl)N)[O-]","MAMMTJLEXUOMJF-UHFFFAOYSA-N","135503396",NA,"PDBC19711","621741","Present"
-"3-(4-Chlorophenyl)-6-methyl-4H-furo[3,2-c]pyran-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-6-methyl-4H-furo[3,2-c]pyran-4-one","","CC1=CC2=C(C(=CO2)C3=CC=C(C=C3)Cl)C(=O)O1","OMSVSYOKJABLKP-UHFFFAOYSA-N","373091",NA,"PDBC19712","649011","Present"
-"3-(4-Chlorophenyl)-7,8-dimethyl-3,4-dihydro-9H-thieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-9-one","","","","","","","","","","","","","","","","","","","","11-(4-Chlorophenyl)-4,5-dimethyl-6-thia-1,8,11,13-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one","","CC1=C(SC2=C1C(=O)N3C(=N2)CN(C=N3)C4=CC=C(C=C4)Cl)C","ZXUSYWDZRFLLTR-UHFFFAOYSA-N","390746",NA,"PDBC19713","688505","Present"
-"3-(4-Chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,5]benzothiadiazepin-5(6H)-imine","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,5]benzothiadiazepin-5(6H)-imine","","C1=CC=C2C(=C1)N=C(N3C(=NN=C3S2)C4=CC=C(C=C4)Cl)N","AKCWYYNYRGNFBJ-UHFFFAOYSA-N","383201",NA,"PDBC19714","671319","Present"
-"3-(4-Chlorophenyl)sulfonyl-1-[4-[[(E)-N-(4-chlorophenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]amino]butyl]-2-methyl-isothiourea","","","","","","","","","","","","","","","","","","","","Methyl N-(4-chlorophenyl)sulfonyl-N'-[4-[[[(4-chlorophenyl)sulfonylamino]-methylsulfanylmethylidene]amino]butyl]carbamimidothioate","","CSC(=NCCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)SC)NS(=O)(=O)C2=CC=C(C=C2)Cl","YTVKOVKIJQHPKS-UHFFFAOYSA-N","382842",NA,"PDBC19715","670672","Present"
-"3-(4-Chlorophenyl)sulfonyl-4-hydroxy-5,7-dimethyl-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)sulfonyl-2-hydroxy-5,7-dimethyl-chromen-4-one","","CC1=CC(=C2C(=C1)OC(=O)C(=C2O)S(=O)(=O)C3=CC=C(C=C3)Cl)C","XBRMVHHPNUDZON-UHFFFAOYSA-N","54690911",NA,"PDBC19716","695624","Present"
-"3-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one","","C1=CN2C(=C1)C(=O)C3=C2C(=CS3)C4=CC=C(C=C4)Cl","MPKUTAGHBXQZRX-UHFFFAOYSA-N","388525",NA,"PDBC19717","683509","Present"
-"3-(4-Cyanophenoxy)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(4-Cyanophenoxy)quinoxaline-2-carboxylic acid","","C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)C#N)C(=O)O","YYTMUQOCKLZMNW-UHFFFAOYSA-N","393704",NA,"PDBC19718","696138","Present"
-"3-(4-Dodecylbenzoyl)acrylic acid","","","","","","","","","","","","","","","","","","","","NSC30659","","CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O","APVXBFBAVQYGRD-ISLYRVAYSA-N","5355260",NA,"PDBC19719","30659","Present"
-"3-(4-Ethoxyphenyl)-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-(4-Ethoxyphenyl)-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione","","CCOC1=CC=C(C=C1)N2C(=O)NC3(C2(N(C(=O)N3C)C)C4=CC=CC=C4)C5=CC=CC=C5","PIYQBHXTZCMPOY-UHFFFAOYSA-N","389854",NA,"PDBC19720","686485","Present"
-"3-(4-Ethoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine","","","","","","","","","","","","","","","","","","","","3-(4-Ethoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine","","CCOC1=CC=C(C=C1)N2C3=NC(=NC(=C3N=N2)N)N","WMXSAXGIMIIYNG-UHFFFAOYSA-N","390793",NA,"PDBC19721","688727","Present"
-"3-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole","","","","","","","","","","","","","","","","","","","","3-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole","","CCN1C=NN=C1C2=NSC3=CC=CC=C32","VIEDSAGGHWDGTE-UHFFFAOYSA-N","374733",NA,"PDBC19722","652925","Present"
-"3-(4-Fluoro-benzylamino)-quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(4-Fluoro-benzylamino)-quinoxaline-2-carboxylic acid","","C1=CC=C2C(=C1)N=C(C(=N2)NCC3=CC=C(C=C3)F)C(=O)O","FZKNXZQHMDLSNA-UHFFFAOYSA-N","387373",NA,"PDBC19723","681125","Present"
-"3-(4-Fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(4-Fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid","","C1=CC(=CC=C1NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O)F","VPJRQGBLCIRRIW-UHFFFAOYSA-N","388328",NA,"PDBC19724","683063","Present"
-"3-(4-Fluorophenoxy)propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenoxy)propane-1,2-diol","","C1=CC(=CC=C1OCC(CO)O)F","AKWLXYPVWJFZMG-UHFFFAOYSA-N","367039",NA,"PDBC19725","636367","Present"
-"3-(4-Fluorophenyl)-2,2-c]chromen-5-yl acetate","","","","","","","","","","","","","","","","","","","","3-(4-fluorophenyl)-2,5-dihydro-2-oxopyrano[3,2-c]chromen...","","CC(=O)OC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)C4=CC=C(C=C4)F","OIJQFUGPUDZCRR-UHFFFAOYSA-N","45028495",NA,"PDBC19726","742946","Present"
-"3-(4-Fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)N=C(N(C2=O)C3=CC=C(C=C3)F)C","SDGCYLOWKZQNML-UHFFFAOYSA-N","360075",NA,"PDBC19727","621873","Present"
-"3-(4-Fluorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile","","C1=CC=C2C(=C1)C(=O)NC(=N2)C(=CC3=CC=C(C=C3)F)C#N","PDRKIOWUNKORCL-FMIVXFBMSA-N","135454442",NA,"PDBC19728","684965","Present"
-"3-(4-Fluorophenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one","","","","","","","","","","","","","","","","","","","","5-(4-Fluorophenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one","","C1CCC2=C(C1)C3=C(S2)N=C4CN(C=NN4C3=O)C5=CC=C(C=C5)F","ZTKFOELLUUOWGA-UHFFFAOYSA-N","390743",NA,"PDBC19729","688502","Present"
-"3-(4-Fluorophenyl)-3-(2-hydroxy-4-methylphenyl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)-3-(2-hydroxy-4-methylphenyl)phthalide","","CC1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F)O","OJORFUCIMFFMJE-UHFFFAOYSA-N","387972",NA,"PDBC19730","682334","Present"
-"3-(4-Fluorophenyl)-3-(4-acetoxy-2-methylphenyl)phthalide","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)-3-(4-acetoxy-2-methylphenyl)phthalide","","CC1=C(C=CC(=C1)OC(=O)C)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F","ARWYVQDENBNRMX-UHFFFAOYSA-N","383342",NA,"PDBC19731","671456","Present"
-"3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)phthalide","","CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F","NMZBIRJGKPTDBF-UHFFFAOYSA-N","387973",NA,"PDBC19732","682335","Present"
-"3-(4-Fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione","","","","","","","","","","","","","","","","","","","","2-Thiazolidinethione, 3-(4-fluorophenyl)-4,5-bis(phenyli...","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=S)N2C4=CC=C(C=C4)F","BHEHJBMUWWKGNG-UHFFFAOYSA-N","383249",NA,"PDBC19733","671363","Present"
-"3-(4-Fluorophenyl)-4-(2-pyridinyl)-2-pyrrolidinimine","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)-4-(2-pyridinyl)-2-pyrrolidinimine","","C1C(C(C(=N1)N)C2=CC=C(C=C2)F)C3=CC=CC=N3","JZSQXHGUNCACPO-UHFFFAOYSA-N","364692",NA,"PDBC19734","631344","Present"
-"3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-6-(4-pyridyl)pyridin-2-amine","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-6-(4-pyridyl)pyridin-2-amine","","COC1=CC=C(C=C1)C2=CC(=NC(=C2C3=CC=C(C=C3)F)N)C4=CC=NC=C4","GEFHLMWQANYTHR-UHFFFAOYSA-N","388617",NA,"PDBC19735","683628","Present"
-"3-(4-Fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","COC1=CC(=CC(=C1OC)OC)C2=CN(C(=O)N2)C3=CC=C(C=C3)F","OSDLHOQXAIBMDP-UHFFFAOYSA-N","45027960",NA,"PDBC19736","740351","Present"
-"3-(4-Fluorophenyl)-6-(pyrrolidine-1-yl)pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione","","C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)F","WARKRYLBAGWYGD-UHFFFAOYSA-N","396880",NA,"PDBC19737","703907","Present"
-"3-(4-Fluorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)-6-morpholino-1h-pyrimidine-2,4-dione","","C1COCCN1C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)F","JHHITEYNABBKHT-UHFFFAOYSA-N","396883",NA,"PDBC19738","703910","Present"
-"3-(4-Fluorophenyl)-7,8-dimethyl-3,4-dihydro-9H-thieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-9-one","","","","","","","","","","","","","","","","","","","","11-(4-Fluorophenyl)-4,5-dimethyl-6-thia-1,8,11,13-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one","","CC1=C(SC2=C1C(=O)N3C(=N2)CN(C=N3)C4=CC=C(C=C4)F)C","QHTYDFHNQHEVLO-UHFFFAOYSA-N","390747",NA,"PDBC19739","688506","Present"
-"3-(4-Fluorophenyl)-8,5-dihydropyrano[3,2-c]chromen-5-yl acetate","","","","","","","","","","","","","","","","","","","","3-(4-fluorophenyl)-8,9-dimethyl-2-oxo-2,5-dihydropyrano[...","","CC1=CC2=C(C=C1C)OC(C3=C2OC(=O)C(=C3)C4=CC=C(C=C4)F)OC(=O)C","KIXMBJTVRFRWOF-UHFFFAOYSA-N","45113107",NA,"PDBC19740","747825","Present"
-"3-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one","","","","","","","","","","","","","","","","","","","","3-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one","","C1=CN2C(=C1)C(=O)C3=C2C(=CS3)C4=CC=C(C=C4)F","KYYNSIZYORCZFZ-UHFFFAOYSA-N","388524",NA,"PDBC19741","683508","Present"
-"3-(4-Hexynyl)-3-methyl-2-piperidinethione","","","","","","","","","","","","","","","","","","","","3-(4-Hexynyl)-3-methyl-2-piperidinethione","","CC#CCCCC1(CCCNC1=S)C","DRUQSDJLVBDEDD-UHFFFAOYSA-N","3004919",NA,"PDBC19742","662763","Present"
-"3-(4-Hexynyl)-3-methyl-2-pyrrolidinethione","","","","","","","","","","","","","","","","","","","","3-(4-Hexynyl)-3-methyl-2-pyrrolidinethione","","CC#CCCCC1(CCNC1=S)C","VXFFMFGSPFOWSE-UHFFFAOYSA-N","3004918",NA,"PDBC19743","662762","Present"
-"3-(4-Hydroxy-3-methoxy-phenyl)-N-(2-hydroxy-2-phenyl-ethyl)-propionamide","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxy-3-methoxy-phenyl)-N-(2-hydroxy-2-phenyl-eth...","","COC1=C(C=CC(=C1)CCC(=O)NCC(C2=CC=CC=C2)O)O","RLCADIOBTGMXIV-MRXNPFEDSA-N","24203885",NA,"PDBC19744","729915","Present"
-"3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one","","COC1=C(C2=C(C=C1O)OCC(C2=O)CC3=CC=C(C=C3)O)O","CGCVUMRAPMFWDT-UHFFFAOYSA-N","404572",NA,"PDBC19745","720873","Present"
-"3-(4-Hydroxybenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxybenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","C1=CC=C2C(=C1)C(=O)N3C(=CC4=CC=C(C=C4)O)C(=O)NC3=N2","WBUUDUJCMJZLCM-NTEUORMPSA-N","135493951",NA,"PDBC19746","684351","Present"
-"3-(4-Hydroxyphenyl)-1,2-diphenyl-2-propen-1-one","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxyphenyl)-1,2-diphenyl-2-propen-1-one","","C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)O)C(=O)C3=CC=CC=C3","RZBABEFHJKXEBA-HMMYKYKNSA-N","5466799",NA,"PDBC19747","643131","Present"
-"3-(4-Hydroxyphenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxyphenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","CN1C2=CC=CC=C2N3C1=NN=C(C3=O)C4=CC=C(C=C4)O","ZUDQDOQONZTDBY-UHFFFAOYSA-N","386672",NA,"PDBC19748","679199","Present"
-"3-(4-Hydroxyphenyl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxyphenyl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O","JVPUENSYQZSVHP-UHFFFAOYSA-N","396496",NA,"PDBC19749","702680","Present"
-"3-(4-Hydroxyphenyl)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxyphenyl)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]propanoic acid","","C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CC3=CC=C(C=C3)O)C(=O)O","HQPDOZNIEIFSJE-UHFFFAOYSA-N","373579",NA,"PDBC19750","650032","Present"
-"3-(4-Hydroxyphenyl)-4-methyl-6-hydroxyisocoumarin","","","","","","","","","","","","","","","","","","","","3-(4-hydroxyphenyl)-4-methyl-6-hydroxyisocoumarin","","CC1=C(OC(=O)C2=C1C=C(C=C2)O)C3=CC=C(C=C3)O","PFMZCJIRDIAZQN-UHFFFAOYSA-N","5473308",NA,"PDBC19751","725008","Present"
-"3-(4-Hydroxyphenyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxyphenyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4...","","C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)O","UTDKIHJQVHYEBZ-UHFFFAOYSA-N","404713",NA,"PDBC19752","721184","Present"
-"3-(4-Hydroxyphenyl)-8-hydroxyisocoumarin","","","","","","","","","","","","","","","","","","","","3-(4-hydroxyphenyl)-8-hydroxyisocoumarin","","C1=CC(=CC=C1C2=CC3=C(C=CC(=C3)O)C(=O)O2)O","BDNZCOHHHNRYSV-UHFFFAOYSA-N","5473193",NA,"PDBC19753","724382","Present"
-"3-(4-Hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide","","C1=CC(=CC(=C1)O)CCNC(=O)CCC2=CC=C(C=C2)O","QDRWIYFSUWNHCV-UHFFFAOYSA-N","387943",NA,"PDBC19754","682294","Present"
-"3-(4-Hydroxyphenyl)-N-[3-[3-(4-hydroxyphenyl)propanoylamino]propyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxyphenyl)-N-[3-[3-(4-hydroxyphenyl)propanoylamino]propyl]propanamide","","C1=CC(=CC=C1CCC(=O)NCCCNC(=O)CCC2=CC=C(C=C2)O)O","QVRHXGPCSPYJFO-UHFFFAOYSA-N","390999",NA,"PDBC19755","689405","Present"
-"3-(4-Imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-Pyridazinecarboxamide, 2,3-dihydro-6-[4-(1H-imidazol-1...","","C1=CC(=CC=C1C2=NNC(=O)C(=C2)C(=O)N)N3C=CN=C3","DXETXLWHKVGQLG-UHFFFAOYSA-N","377338",NA,"PDBC19756","658775","Present"
-"3-(4-Isonicotinoyl piperazin-1-yl)-4-phenyl-4H-1,4-benzothiadiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","3-(4-isonicotinoyl piperazin-1-yl)-4-phenyl-4H-1,2,4-ben...","","C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C3N2C4=CC=CC=C4)C(=O)C5=CC=NC=C5","CZDYBPHWCWEKHG-UHFFFAOYSA-N","24206028",NA,"PDBC19757","737737","Present"
-"3-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one","","CC1=C(C=CC(=C1)OC)C2C3=C(C4=CC=CC=C4C=C3)C(=O)O2","PMVCYRWPQFDLEX-UHFFFAOYSA-N","369149",NA,"PDBC19758","640736","Present"
-"3-(4-Methoxy-benzylamino)-quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(4-Methoxy-benzylamino)-quinoxaline-2-carboxylic acid","","COC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(=O)O","UPKSFROHRNKAPX-UHFFFAOYSA-N","387372",NA,"PDBC19759","681124","Present"
-"3-(4-Methoxyanilino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyanilino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","","CC1(C2CCC1(C(=O)C2NC3=CC=C(C=C3)OC)C)C","KFKLIBAWHRUNOV-UHFFFAOYSA-N","386480",NA,"PDBC19760","678508","Present"
-"3-(4-Methoxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid","","COC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O","MZCAPXRDAPWCCL-UHFFFAOYSA-N","388327",NA,"PDBC19761","683062","Present"
-"3-(4-Methoxybenzoyl)cyclopentanecarboxylic acid","","","","","","","","","","","","","","","","","","","","3-(4-Methoxybenzoyl)cyclopentanecarboxylic acid","","COC1=CC=C(C=C1)C(=O)C2CCC(C2)C(=O)O","WKGLTBFKXDKKGA-UHFFFAOYSA-N","365637",NA,"PDBC19762","633491","Present"
-"3-(4-Methoxybenzyl)-5,7-dimethoxychroman-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Methoxybenzyl)-5,7-dimethoxychroman-4-one","","COC1=CC=C(C=C1)CC2COC3=C(C2=O)C(=CC(=C3)OC)OC","JKMJUFLHBMBSQL-UHFFFAOYSA-N","404573",NA,"PDBC19763","720874","Present"
-"3-(4-Methoxybenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3-(4-Methoxybenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","COC1=CC=C(C=C1)C=C2C(=O)NC3=NC4=CC=CC=C4C(=O)N23","GINUQSSYGRTPIF-XNTDXEJSSA-N","135493946",NA,"PDBC19764","684346","Present"
-"3-(4-Methoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine","","COC1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","WZQSXIXWYZTSCR-UHFFFAOYSA-N","393435",NA,"PDBC19765","695322","Present"
-"3-(4-Methoxyphenoxy)-2-propan-2-yl-6-(trifluoromethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenoxy)-2-(1-methylethyl)-6-(trifluoromethyl)quinoxaline","","CC(C)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)OC","CHGNJAAILDTOER-UHFFFAOYSA-N","401466",NA,"PDBC19766","715124","Present"
-"3-(4-Methoxyphenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide","","COC1=CC=C(C=C1)N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","LIJRDZOTMQRKOU-UHFFFAOYSA-N","401416",NA,"PDBC19767","715068","Present"
-"3-(4-Methoxyphenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole","","COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C=CC5=CC=CS5","UMZLUAOYYKUESL-OUKQBFOZSA-N","5471218",NA,"PDBC19768","709480","Present"
-"3-(4-Methoxyphenyl)-1-methyl-2-phenylindolizine","","","","","","","","","","","","","","","","","","","","3-(4-Methylphenyl)-1-methyl-2-phenylindolizine","","CC1=C2C=CC=CN2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)OC","SWYZMSOBTNLJSA-UHFFFAOYSA-N","393625",NA,"PDBC19769","695834","Present"
-"3-(4-Methoxyphenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole","","COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OCCN6CCCCC6","INJDFHJYJUGOAJ-UHFFFAOYSA-N","399073",NA,"PDBC19770","709484","Present"
-"3-(4-Methoxyphenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","Pyrazino[1,2-a]benzimidazole, 3-(4-methoxyphenyl)- 1-met...","","COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=CC=C5","QBGDOVQSQFVTAC-UHFFFAOYSA-N","390235",NA,"PDBC19771","687527","Present"
-"3-(4-Methoxyphenyl)-1-methylpyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-1-methylpyrazino[1,2-a]benzimidazole","","CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)OC","XUVJJXREKKCPGD-UHFFFAOYSA-N","384471",NA,"PDBC19772","674273","Present"
-"3-(4-Methoxyphenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one","","CN1C2=CC=CC=C2N3C1=NN=C(C3=O)C4=CC=C(C=C4)OC","SEPNRDBTTGHYTF-UHFFFAOYSA-N","386679",NA,"PDBC19773","679206","Present"
-"3-(4-Methoxyphenyl)-2-methyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","NSC679216///NSC679218","","CC1=NC2=C(C=C(C=C2)NC3C(C(C(CO3)O)O)O)C(=O)N1C4=CC=C(C=C4)OC","UVCFNLLVVXNROX-UHFFFAOYSA-N","386687",NA,"PDBC19774","679216///679218","Present"
-"3-(4-Methoxyphenyl)-2-methyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-2-methyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]quinazolin-4-one","","CC1=NC2=C(C=C(C=C2)NC3C(C(C(C(O3)CO)O)O)O)C(=O)N1C4=CC=C(C=C4)OC","YOBWIBALNGPUDH-UHFFFAOYSA-N","386684",NA,"PDBC19775","679213","Present"
-"3-(4-Methoxyphenyl)-2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole","","COC1=CC=C(C=C1)C2C3COC4=CC=CC=C4C3=NN2C5=CC=CC=C5","RTXIBZMHCIEZDT-UHFFFAOYSA-N","388251",NA,"PDBC19776","682862","Present"
-"3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole","","COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2","UVKSVLMOLNOULA-UHFFFAOYSA-N","21792363",NA,"PDBC19777","744693","Present"
-"3-(4-Methoxyphenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one","","","","","","","","","","","","","","","","","","","","5-(4-Methoxyphenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one","","COC1=CC=C(C=C1)N2CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3N=C2","QZVYVLIWWXLUNM-UHFFFAOYSA-N","390741",NA,"PDBC19778","688500","Present"
-"3-(4-Methoxyphenyl)-4-(2-pyridinyl)-2-pyrrolidinimine","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-4-(2-pyridinyl)-2-pyrrolidinimine","","COC1=CC=C(C=C1)C2C(CN=C2N)C3=CC=CC=N3","GZMPVHIUKPIGNS-UHFFFAOYSA-N","364693",NA,"PDBC19779","631345","Present"
-"3-(4-Methoxyphenyl)-4-phenylisothiochromeno[3,2]oxazi ne","","","","","","","","","","","","","","","","","","","","3-(4-methoxyphenyl)-4-phenylisothiochromeno[3,4-e][1,2]o...","","COC1=CC=C(C=C1)C2=NOC3=C4C=CC=CC4=CSC3=C2C5=CC=CC=C5","QJZCXUWXWCDMQL-UHFFFAOYSA-N","405553",NA,"PDBC19780","722916","Present"
-"3-(4-Methoxyphenyl)-5,5,5-triphenyl-4,5-dihydro-1,2,5lambda~5~-oxazaphosphole","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-5,5,5-triphenyl-4,5-dihydro-1,2,5lambda(5)-oxazaphosphole","","COC1=CC=C(C=C1)C2=NOP(C2)(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5","NIMKUIZJGMIFAP-UHFFFAOYSA-N","327851",NA,"PDBC19781","304610","Present"
-"3-(4-Methoxyphenyl)-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4H-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","5-(4-Methoxyphenyl)-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-1,2,4-triazole","","CN1C=NC(=C1SC2=NNC(=N2)C3=CC=C(C=C3)OC)[N+](=O)[O-]","PYQWYJXOZDKYME-UHFFFAOYSA-N","364628",NA,"PDBC19782","631162","Present"
-"3-(4-Methoxyphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione","","CN1CN(C(=S)SC1)C2=CC=C(C=C2)OC","GPIXDVXNSJYMGF-UHFFFAOYSA-N","279093",NA,"PDBC19783","129266","Present"
-"3-(4-Methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one","","","","","","","","","","","","","","","","","","","","GNF-PF-2812///NSC766729","","COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2","HXQRIHGYIOARQJ-UHFFFAOYSA-N","379338",NA,"PDBC19784","663884///766729","Present"
-"3-(4-Methoxyphenyl)-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-(4-methoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybenzylth...","","CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=C(C=C3)OC)SCC4=CC(=C(C(=C4)OC)OC)OC","GRMTVFCOBIDABP-UHFFFAOYSA-N","134140548",NA,"PDBC19785","764496","Present"
-"3-(4-Methoxyphenyl)-6-methyl-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)OC)C#N)C4=CC=CC=C4","YMBKRAJANTUNHC-UHFFFAOYSA-N","398639",NA,"PDBC19786","708789","Present"
-"3-(4-Methoxyphenyl)-7,8-dimethyl-3,4-dihydro-9H-thieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-9-one","","","","","","","","","","","","","","","","","","","","11-(4-Methoxyphenyl)-4,5-dimethyl-6-thia-1,8,11,13-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one","","CC1=C(SC2=C1C(=O)N3C(=N2)CN(C=N3)C4=CC=C(C=C4)OC)C","IDBUWBLFALSBAC-UHFFFAOYSA-N","390745",NA,"PDBC19787","688504","Present"
-"3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one","","","","","","","","","","","","","","","","","","","","8H-Thieno[2,3-b]pyrrolizin-8-one, 3-(4-methoxyphenyl)- (...","","COC1=CC=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O","STBQKICVQXGVLM-UHFFFAOYSA-N","385455",NA,"PDBC19788","676693","Present"
-"3-(4-Methoxyphenyl)[1,2,4]triazino[4,3-a]benzimidazol-4(1H)-one","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)[1,2,4]triazino[4,3-a]benzimidazol-4(1H)-one","","COC1=CC=C(C=C1)C2=NNC3=NC4=CC=CC=C4N3C2=O","CIIPGCDTGSTUBO-UHFFFAOYSA-N","386678",NA,"PDBC19789","679205","Present"
-"3-(4-Methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2]benzisothiazole","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2]benzisothiazole","","COC1=CC=C(C=C1)C2=NN=C3N2SC4=CC=CC=C43","DMHJRZOMTQNIPB-UHFFFAOYSA-N","374743",NA,"PDBC19790","652935","Present"
-"3-(4-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(4-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","CC1=C2CC(C(=O)C2=CC=C1)C3C4=CC=CC=C4C(=O)O3","ZGUWWUFTPXDZAT-UHFFFAOYSA-N","385677",NA,"PDBC19791","677023","Present"
-"3-(4-Methyl-2-oxopent-3-enyl)-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Methyl-2-oxopent-3-enyl)-1H-quinoxalin-2-one","","CC(=CC(=O)CC1=NC2=CC=CC=C2NC1=O)C","COXHDMLJGXAGPI-UHFFFAOYSA-N","360286",NA,"PDBC19792","622320","Present"
-"3-(4-Methyl-2-oxopent-3-enyl)-7-nitro-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Methyl-2-oxopent-3-enyl)-7-nitro-1H-quinoxalin-2-one","","CC(=CC(=O)CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C","RWHCYZSDNPZFTA-UHFFFAOYSA-N","359727",NA,"PDBC19793","621173","Present"
-"3-(4-Methyl-3-nitro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-(4-Methyl-3-nitro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one","","CC1=C(C=C(C=C1)C2=NNC(=O)N2)[N+](=O)[O-]","KWTLTDRPAOTUIS-UHFFFAOYSA-N","135489806",NA,"PDBC19794","678397","Present"
-"3-(4-Methylanilino)-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one","","","","","","","","","","","","","","","","","","","","3-(p-tolylamino)-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one","","CC1=CC=C(C=C1)NC2=C3CCCCC3OC2=O","KLPRPYQCJGUREE-UHFFFAOYSA-N","155812728",NA,"PDBC19795","768103","Present"
-"3-(4-Methylbenzylidene)dihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","3-(4-Methylbenzylidene)dihydro-2(3H)-furanone","","CC1=CC=C(C=C1)C=C2CCOC2=O","DZQULPJCBCHNSJ-DHZHZOJOSA-N","6071028",NA,"PDBC19796","10427","Present"
-"3-(4-Methylbenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3-(4-Methylbenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","CC1=CC=C(C=C1)C=C2C(=O)NC3=NC4=CC=CC=C4C(=O)N23","SGIPEVGVTGGVJE-XNTDXEJSSA-N","135493948",NA,"PDBC19797","684348","Present"
-"3-(4-Methylpent-3-enyl)-4-(2-methylprop-1-enyl)-3-phenylsulfanyloxolan-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Methylpent-3-enyl)-4-(2-methylprop-1-enyl)-3-phenylsulfanyl-tetrahydrofuran-2-one","","CC(=CCCC1(C(COC1=O)C=C(C)C)SC2=CC=CC=C2)C","PHICXSXVRZDAIF-UHFFFAOYSA-N","395711",NA,"PDBC19798","700509","Present"
-"3-(4-Methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-(4-Methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-]","KRFLIRADUCKBDO-UHFFFAOYSA-N","135406287",NA,"PDBC19799","621495","Present"
-"3-(4-Methylphenyl)-1-phenylpyrazino[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","Pyrazino[1,2-a]benzimidazole, 3-(4-methylphenyl)- 1-phenyl-","","CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C5=CC=CC=C5","JDHABTWJQNMEMQ-UHFFFAOYSA-N","384475",NA,"PDBC19800","674277","Present"
-"3-(4-Methylphenyl)-2-phenylacrylonitrile","","","","","","","","","","","","","","","","","","","","WBZHGDSETMQLHT-LFIBNONCSA-N","","CC1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2","WBZHGDSETMQLHT-LFIBNONCSA-N","5375739",NA,"PDBC19801","638633","Present"
-"3-(4-Methylphenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one","","","","","","","","","","","","","","","","","","","","5-(4-Methylphenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one","","CC1=CC=C(C=C1)N2CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3N=C2","KHJJNQXFLHZSFV-UHFFFAOYSA-N","390740",NA,"PDBC19802","688499","Present"
-"3-(4-Methylphenyl)-4-(4-nitrophenyl)isothiochromeno[3,2]oxazine","","","","","","","","","","","","","","","","","","","","3-(4-methylphenyl)-4-(4-nitrophenyl)isothiochromeno[3,4-...","","CC1=CC=C(C=C1)C2=NOC3=C4C=CC=CC4=CSC3=C2C5=CC=C(C=C5)[N+](=O)[O-]","JAXAFIVGWYKQHK-UHFFFAOYSA-N","405550",NA,"PDBC19803","722913","Present"
-"3-(4-Methylphenyl)sydnone","","","","","","","","","","","","","","","","","","","","3-p-Tolylsydnone","","CC1=CC=C(C=C1)[N+]2=NOC(=C2)[O-]","XIIZHMNSBLVHKS-UHFFFAOYSA-N","198878",NA,"PDBC19804","35761","Present"
-"3-(4-Methylpiperazin-1-yl)-5-pyridin-4-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraene","","","","","","","","","","","","","","","","","","","","4-(4-Methylpiperazin-1-yl)-2-(4-pyridyl)-5,6,7,8,9,10-he...","","CN1CCN(CC1)C2=C3C4=C(CCCCCC4)SC3=NC(=N2)C5=CC=NC=C5","PBYZLFRAJAMZBA-UHFFFAOYSA-N","72196731",NA,"PDBC19805","764312","Present"
-"3-(4-Methylpiperazin-1-yl)propylhydrazine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC356363","","CN1CCN(CC1)CCCNN.Cl","CQWRQUGGLYCOOW-UHFFFAOYSA-N","54607759",NA,"PDBC19806","356363","Present"
-"3-(4-Morpholinyl)-N-(1,5,5-trimethylbicyclo[2.2.1]hept-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-(4-Morpholinyl)-N-(1,5,5-trimethylbicyclo[2.2.1]hept-2-yl)propanamide","","CC1(CC2(CC1CC2NC(=O)CCN3CCOCC3)C)C","QQKWCXWZHDEURB-UHFFFAOYSA-N","376014",NA,"PDBC19807","656394","Present"
-"3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone","","C1COCCN1CN2C(=O)C(=CC3=CC=CS3)NC2=S","IHKNAOKZLOKQDG-FLIBITNWSA-N","5469471",NA,"PDBC19808","688933","Present"
-"3-(4-Nitro-benzylidene)-1,5-diphenyl-pyrrolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-(4-Nitro-benzylidene)-1,5-diphenyl-pyrrolidine-2,4-dione","","C1=CC=C(C=C1)C2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4","ITDOKIJCXVTKQR-HKWRFOASSA-N","5468075",NA,"PDBC19809","663784","Present"
-"3-(4-Nitrobenzyl)-1,3-dihydro-2h-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Nitrobenzyl)-1,3-dihydro-2h-indol-2-one","","C1=CC=C2C(=C1)C(C(=O)N2)CC3=CC=C(C=C3)[N+](=O)[O-]","YIKKMLSHYFGMKC-UHFFFAOYSA-N","271691",NA,"PDBC19810","115618","Present"
-"3-(4-Nitrophenyl)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","NSC215989","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)[N+](=O)[O-]","GATDYELJYSMQPH-UHFFFAOYSA-N","263080",NA,"PDBC19811","215989","Present"
-"3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-(4-chlorophenyl)-isooxazole","","","","","","","","","","","","","","","","","","","","3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-(4-chlorophenyl)-...","","C1CN=C(N1)C2=C(ON=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl","BCPJIAQBIBDMDY-UHFFFAOYSA-N","371103",NA,"PDBC19812","645050","Present"
-"3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-(4-methoxyphenyl)-isooxazole","","","","","","","","","","","","","","","","","","","","3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-(4-methoxyphenyl)...","","COC1=CC=C(C=C1)C2=C(C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C4=NCCN4","MOSHDLOIHFKASQ-UHFFFAOYSA-N","371101",NA,"PDBC19813","645048","Present"
-"3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-phenyl-isooxazole","","","","","","","","","","","","","","","","","","","","3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-phenyl-isooxazole","","C1CN=C(N1)C2=C(ON=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","LRMVLBZIQWYVMB-UHFFFAOYSA-N","371102",NA,"PDBC19814","645049","Present"
-"3-(4-Nitrophenyl)-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-(4-Nitrophenyl)-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","C1=CC(=CC=C1C=NN2C(=NNC2=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","WQXQQZYSAJQZFY-CXUHLZMHSA-N","9556307",NA,"PDBC19815","690622","Present"
-"3-(4-Nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one","","","","","","","","","","","","","","","","","","","","3-(4-Nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one","","C1=CC=C2C(=C1)C3=NN=C(C=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]","GCMBFNZCNIURJG-UHFFFAOYSA-N","379340",NA,"PDBC19816","663886","Present"
-"3-(4-Nitrophenyl)-6-phenyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile","","","","","","","","","","","","","","","","","","","","3-(4-Nitrophenyl)-6-phenyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile","","C1=CC=C(C=C1)C2C=CC(C(C2(C#N)C#N)(C#N)C#N)C3=CC=C(C=C3)[N+](=O)[O-]","YXRGKTJRPQYRIH-UHFFFAOYSA-N","391620",NA,"PDBC19817","691106","Present"
-"3-(4-Nitrophenyl)imidazo[1,2-a]pyridine","","","","","","","","","","","","","","","","","","","","3-(4-Nitrophenyl)imidazo[1,2-a]pyridine","","C1=CC2=NC=C(N2C=C1)C3=CC=C(C=C3)[N+](=O)[O-]","ZNTPEAGAMIBSKF-UHFFFAOYSA-N","364814",NA,"PDBC19818","631574","Present"
-"3-(4-Nitrophenyl)propiolic acid","","","","","","","","","","","","","","","","","","","","Cambridge id 5192591","","C1=CC(=CC=C1C#CC(=O)O)[N+](=O)[O-]","SMMZCQTZVBTDLS-UHFFFAOYSA-N","247394",NA,"PDBC19819","61874","Present"
-"3-(4-Nitrophenylsulfonamido)propanoic acid","","","","","","","","","","","","","","","","","","","","CBDivE_015625","","C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCCC(=O)O","WBULOUVRHAKHDN-UHFFFAOYSA-N","362739",NA,"PDBC19820","626994","Present"
-"3-(4-Nitropyrazol-1-yl)-1H-1,5-benzodiazepine","","","","","","","","","","","","","","","","","","","","3-(4-Nitropyrazol-1-yl)-1H-1,5-benzodiazepine","","C1=CC=C2C(=C1)NC=C(C=N2)N3C=C(C=N3)[N+](=O)[O-]","GFHBFEKUBVXUBF-UHFFFAOYSA-N","367623",NA,"PDBC19821","637468","Present"
-"3-(4-Oxo-4H-3,1-benzoxazin-2-yl)benzyl imidothiocarbamate","","","","","","","","","","","","","","","","","","","","[3-(4-Oxo-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate","","C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC(=C3)CSC(=N)N","DIXZVGWTNOJYMX-UHFFFAOYSA-N","331768",NA,"PDBC19822","326381","Present"
-"3-(4-Oxochromen-3-yl)selanylchromen-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Oxochromen-3-yl)selanylchromen-4-one","","C1=CC=C2C(=C1)C(=O)C(=CO2)[Se]C3=COC4=CC=CC=C4C3=O","OILWFUALSBCTIE-UHFFFAOYSA-N","374556",NA,"PDBC19823","652531","Present"
-"3-(4-Pentadecylphenoxy)-1,2-propanediol","","","","","","","","","","","","","","","","","","","","3-(4-Pentadecylphenoxy)-1,2-propanediol","","CCCCCCCCCCCCCCCC1=CC=C(C=C1)OCC(CO)O","DVARIDCYJRKBHF-UHFFFAOYSA-N","366843",NA,"PDBC19824","635819","Present"
-"3-(4-Pentenyl)-2-piperidinone","","","","","","","","","","","","","","","","","","","","3-(4-Pentenyl)-2-piperidinone","","C=CCCCC1CCCNC1=O","WGNSWBMFWGQTPU-UHFFFAOYSA-N","373271",NA,"PDBC19825","649424","Present"
-"3-(4-Phenyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole","","","","","","","","","","","","","","","","","","","","3-(4-Phenyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole","","C1=CC=C(C=C1)N2C=NN=C2C3=NSC4=CC=CC=C43","HJCDKNYWVQFARJ-UHFFFAOYSA-N","374734",NA,"PDBC19826","652926","Present"
-"3-(4-Phenylpiperazin-1-yl)-1-propyl-benzothiopheno[2,3-b]pyrazin-2-one","","","","","","","","","","","","","","","","","","","","3-(4-Phenylpiperazin-1-yl)-1-propyl-benzothiopheno[2,3-b]pyrazin-2-one","","CCCN1C2=C(N=C(C1=O)N3CCN(CC3)C4=CC=CC=C4)SC5=CC=CC=C52","GTWZBGCKINLREQ-UHFFFAOYSA-N","394670",NA,"PDBC19827","698272","Present"
-"3-(4-Phenylpiperazin-1-yl)propan-1-amine","","","","","","","","","","","","","","","","","","","","F2187-2294","","C1CN(CCN1CCCN)C2=CC=CC=C2","KNLCRNWJXCLJHQ-UHFFFAOYSA-N","261297",NA,"PDBC19828","93277","Present"
-"3-(4-Pyridyl)acrylic acid","","","","","","","","","","","","","","","","","","","","4-Pyridineacrylic acid","","C1=CN=CC=C1C=CC(=O)O","SSAYTINUCCRGDR-OWOJBTEDSA-N","736782",NA,"PDBC19829","830","Present"
-"3-(4-Quinazolinylamino)phenyl 2-chlorobenzoate","","","","","","","","","","","","","","","","","","","","3-(4-quinazolinylamino)phenyl 2-chlorobenzoate","","C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4Cl","RCXVWLCVTINCAH-UHFFFAOYSA-N","1187613",NA,"PDBC19830","728125","Present"
-"3-(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)-3-cyano-N-(2,4-dimethylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)-3-cyano-N-(2,4-dimethylphenyl)-2-oxopropanamide","","CC1=CC(=C(C=C1)NC(=O)C(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)C","FNHZXNAMZYZLPH-UHFFFAOYSA-N","371970",NA,"PDBC19831","646786","Present"
-"3-(4-{4-Aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea","","","","","","","","","","","","","","","","","","","","GW770249A///GW770249X","","C1=CC(=CC=C1C2=COC3=NC=NC(=C23)N)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F","KNDPXYAMINMLED-UHFFFAOYSA-N","10113568",NA,"PDBC19832","756335///756336","Present"
-"3-(5,12-Dioxo-1,6-diazanaphthacene-11-yl)-4,9-diaza-8H-benzo[fg]naphthacene-8-one","","","","","","","","","","","","","","","","","","","","Pyrido[2,3-b]acridine-5,12-dione, 11-(8-oxo-8H-benzo[mn]...","","C1=CC=C2C(=C1)C3=C4C(=C(C=C3)C5=C6C(=NC7=CC=CC=C75)C(=O)C8=C(C6=O)N=CC=C8)C9=C(C=CC=N9)C(=O)C4=N2","VJZVLHAOKCPSFM-UHFFFAOYSA-N","393105",NA,"PDBC19833","694491","Present"
-"3-(5,5-Diphenyl-4H-isoxazol-2-ium-2-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(5,5-Diphenyl-4H-isoxazol-2-ium-2-yl)propanoic acid","","C1C=[N+](OC1(C2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)O","FLGBTDXHTZDCSQ-UHFFFAOYSA-O","495302",NA,"PDBC19834","649439","Present"
-"3-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)benzo[h]chromen-2-one","","","","","","","","","","","","","","","","","","","","3-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2h-benzo[h]chromen-2-one","","C1CN2C(=CSC2=N1)C3=CC4=C(C5=CC=CC=C5C=C4)OC3=O","HVXXGLDQWLGHNF-UHFFFAOYSA-N","403452",NA,"PDBC19835","718319","Present"
-"3-(5,6-Dimethyl-1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","3-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-1-(4-methoxyph...","","CC1=CC2=C(C=C1C)N=C(N2)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC=C(C=C6)OC","GKNLBSJNVFWGCV-UHFFFAOYSA-N","155811212",NA,"PDBC19836","764567","Present"
-"3-(5,6a-Dimethyl-3-oxo-7-propanoyloxy-2,4a,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromen-5-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(5,6a-Dimethyl-3-oxo-7-propanoyloxy-2,4a,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromen-5-yl)propanoic acid","","CCC(=O)OC1CCC2C1(CC(C3C2CCC(=O)O3)(C)CCC(=O)O)C","MVEKQKDGIZGWCM-UHFFFAOYSA-N","254882",NA,"PDBC19837","79606","Present"
-"3-(5-((2-(3-Cyanophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","3-[5-[2-(3-Cyanophenyl)-1,3-dioxo-isoindoline-5-carbonyl]-1,3-dioxo-isoindolin-2-yl]benzonitrile","","C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC(=C6)C#N)C#N","ZBDYMRFBEARASG-UHFFFAOYSA-N","365546",NA,"PDBC19838","633250","Present"
-"3-(5-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyridine","","","","","","","","","","","","","","","","","","","","Pyridine, 3-[4-methyl-5-[(1-methyl-4-nitro-1H-imidazol-5...","","CN1C=NC(=C1SC2=NN=C(N2C)C3=CN=CC=C3)[N+](=O)[O-]","RNYWSASYWOAECU-UHFFFAOYSA-N","364626",NA,"PDBC19839","631160","Present"
-"3-(5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline","","","","","","","","","","","","","","","","","","","","3-(5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline","","C1=CC=C(C=C1)N2C3=NC4=CC=CC=C4N=C3C(=N2)C5=NN=C(O5)C6=CC(=CC=C6)Cl","MTYANSFNPUYOIA-UHFFFAOYSA-N","365578",NA,"PDBC19840","633373","Present"
-"3-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline","","","","","","","","","","","","","","","","","","","","3-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline","","C1=CC=C(C=C1)N2C3=NC4=CC=CC=C4N=C3C(=N2)C5=NN=C(O5)C6=CC=C(C=C6)Br","LJCRVNKEMWFWLK-UHFFFAOYSA-N","365579",NA,"PDBC19841","633374","Present"
-"3-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline","","","","","","","","","","","","","","","","","","","","3-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline","","C1=CC=C(C=C1)N2C3=NC4=CC=CC=C4N=C3C(=N2)C5=NN=C(O5)C6=CC=C(C=C6)Cl","NLTYUVDFWYHPTO-UHFFFAOYSA-N","365577",NA,"PDBC19842","633372","Present"
-"3-(5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline","","","","","","","","","","","","","","","","","","","","3-(5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline","","CC1=CC=C(C=C1)C2=NN=C(O2)C3=NN(C4=NC5=CC=CC=C5N=C34)C6=CC=CC=C6","DWFLMLUPDGUBBY-UHFFFAOYSA-N","365575",NA,"PDBC19843","633370","Present"
-"3-(5-(Hydroxy(oxido)amino)tetrahydro-2-furanyl)-5-((methyl(1-methyl-2-phenylethyl)amino)methyl)-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","N-Methyl-N-[[3-(5-nitrooxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylpropan-2-amine","","CC(CC1=CC=CC=C1)N(C)CC2=NC(=NO2)C3CCC(O3)[N+](=O)[O-]","JXNOGAWCEGEVMX-UHFFFAOYSA-N","379971",NA,"PDBC19844","665278","Present"
-"3-(5-Amino-1,3,4-thiadiazol-2-yl)-7-methyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","3-(5-Amino-1,3,4-thiadiazol-2-yl)-7-methyl-1H-1,8-naphthyridin-4-one","","CC1=NC2=C(C=C1)C(=O)C(=CN2)C3=NN=C(S3)N","SITGZPTWPSFRCB-UHFFFAOYSA-N","135426676",NA,"PDBC19845","706821","Present"
-"3-(5-Amino-1H-indol-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","5-Aminoindol-3-ylpropionsaeure","","C1=CC2=C(C=C1N)C(=CN2)CCC(=O)O","RVKGNYSFSWGPIJ-UHFFFAOYSA-N","247165",NA,"PDBC19846","61297","Present"
-"3-(5-Amino-[1, 4] Thiadiazole-2-yl Methyl)-6-Bromo-2-Methyl-3H Quinazolone 4-0ne","","","","","","","","","","","","","","","","","","","","3-(5-Amino -[1, 3, 4] Thiadiazole - 2-yl Methyl) -6-Brom...","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=NN=C(S4)N","GSJBWTNJXNAUNS-UHFFFAOYSA-N","24204727",NA,"PDBC19847","732562","Present"
-"3-(5-Anilino-1,3,4-oxadiazol-2-yl)-1-(4-chlorophenyl)pyrazol-4-ol","","","","","","","","","","","","","","","","","","","","3-(5-Anilino-1,3,4-oxadiazol-2-yl)-1-(4-chlorophenyl)pyrazol-4-ol","","C1=CC=C(C=C1)NC2=NN=C(O2)C3=NN(C=C3O)C4=CC=C(C=C4)Cl","MSCYCDDWOWJYKP-UHFFFAOYSA-N","406096",NA,"PDBC19848","724039","Present"
-"3-(5-Benzo[b]thiophen-3-yl-1H-indol-3-yl)-acrylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","3-(5-Benzo[b]thiophen-3-yl-1H-indol-3-yl)-acrylic acid e...","","CCOC(=O)C=CC1=CC2=C(N1)C=CC(=C2)C3=CSC4=CC=CC=C43","JZLPSWRSPNJYQZ-CSKARUKUSA-N","45028592",NA,"PDBC19849","743441","Present"
-"3-(5-Benzyl-1,3,4-oxadiazole-2-yl)quinoline-2(1H)-one","","","","","","","","","","","","","","","","","","","","3-(5-benzyl-1,3,4-oxadiazol-2-yl)quinolin-2(1H)-one","","C1=CC=C(C=C1)CC2=NN=C(O2)C3=CC4=CC=CC=C4NC3=O","QDQGRQAIKGROIM-UHFFFAOYSA-N","137082883",NA,"PDBC19850","776965","Present"
-"3-(5-Bromo-1-methylindol-3-yl)-4-(1-methylindol-3-yl)-1,2,5-oxadiazole","","","","","","","","","","","","","","","","","","","","5-bromo-1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-1,2,5-oxa...","","CN1C=C(C2=C1C=CC(=C2)Br)C3=NON=C3C4=CN(C5=CC=CC=C54)C","PXYJEUYSWXKSSG-UHFFFAOYSA-N","155814079",NA,"PDBC19851","801544","Present"
-"3-(5-Bromo-1H-indol-3-yl)-4-(5-fluoro-1H-indol-3-yl)-1,2,5-oxadiazole","","","","","","","","","","","","","","","","","","","","3-[4-(5-bromo-1H-indol-3-yl)-1,2,5-oxadiazol-3-yl]-5-flu...","","C1=CC2=C(C=C1F)C(=CN2)C3=NON=C3C4=CNC5=C4C=C(C=C5)Br","WKABEAYWNAUNOL-UHFFFAOYSA-N","155809393",NA,"PDBC19852","801520","Present"
-"3-(5-Bromo-3-oxoindol-2-yl)-2-hydroxy-1H-indole-5-sulfonic acid","","","","","","","","","","","","","","","","","","","","3-(5-Bromo-3-oxoindol-2-yl)-2-hydroxy-1H-indole-5-sulfonic acid","","C1=CC2=C(C=C1S(=O)(=O)O)C(=C(N2)O)C3=NC4=C(C3=O)C=C(C=C4)Br","MFZGNYCRRVSCEA-UHFFFAOYSA-N","403168",NA,"PDBC19853","717820","Present"
-"3-(5-Chloro-1,3-benzoxazol-2-yl)piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","3-(5-Chloro-1,3-benzoxazol-2-yl)piperidine-2,6-dione","","C1CC(=O)NC(=O)C1C2=NC3=C(O2)C=CC(=C3)Cl","NKWDFVZWXCYEHO-UHFFFAOYSA-N","365993",NA,"PDBC19854","634159","Present"
-"3-(5-Chloro-1H-benzoimidazole-2-yl)-1,2-dihydroquinoline-2-one","","","","","","","","","","","","","","","","","","","","3-(5-Chloro-1H-benzoimidazole-2-yl)-1,2-dihydroquinoline-2-one","","C1=CC=C2C(=C1)C=C(C(=O)N2)C3=NC4=C(N3)C=C(C=C4)Cl","DXOHCQPYGGDAGK-UHFFFAOYSA-N","135863082",NA,"PDBC19855","749046","Present"
-"3-(5-Chloro-2-Hydroxy-4,6-dimethylphenyl)-5-(4-chlorophenyl)-1-(4-sulfamylphenyl)-2-pyrazoline","","","","","","","","","","","","","","","","","","","","3-(5-chloro-2-Hydroxy-4,6-dimethylphenyl)-5-(4-chlorophe...","","CC1=CC(=C(C(=C1Cl)C)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N)O","VMRAHOINNVRMNQ-UHFFFAOYSA-N","135968265",NA,"PDBC19856","749121","Present"
-"3-(5-Chloro-2-Hydroxy-4,6-dimethylphenyl)-5-(4-dimethylaminophenyl)-1-(4-sulfamylphenyl)-2-pyrazoline","","","","","","","","","","","","","","","","","","","","3-(5-chloro-2-Hydroxy-4,6-dimethylphenyl)-5-(4-dimethyla...","","CC1=CC(=C(C(=C1Cl)C)C2=NN(C(C2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)S(=O)(=O)N)O","ZPBDJWCOJUCPLZ-UHFFFAOYSA-N","135968266",NA,"PDBC19857","749122","Present"
-"3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-chlorophenyl)-1-(4-sulfamylphenyl)-2-pyrazoline","","","","","","","","","","","","","","","","","","","","3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-chlorophenyl)...","","CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)S(=O)(=O)N)O","PUPBQXYQKQWRSV-UHFFFAOYSA-N","135968247",NA,"PDBC19858","750147","Present"
-"3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline","","","","","","","","","","","","","","","","","","","","3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyphenyl...","","CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C3=CC=CC=C3O)C4=CC=C(C=C4)S(=O)(=O)N)O","ORIVTYHQODIOFJ-UHFFFAOYSA-N","135968246",NA,"PDBC19859","750146","Present"
-"3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(3,4-dimethoxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline","","","","","","","","","","","","","","","","","","","","3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(3,4-dimethoxyph...","","CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)S(=O)(=O)N)O","KESFQAMWJBXFEV-UHFFFAOYSA-N","135968244",NA,"PDBC19860","750144","Present"
-"3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(3,5-trimethoxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline","","","","","","","","","","","","","","","","","","","","3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(3,4,5-trimethox...","","CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)S(=O)(=O)N)O","SUFYGVHMZWBEIF-UHFFFAOYSA-N","135968245",NA,"PDBC19861","750145","Present"
-"3-(5-Chloro-4,7-dihydroxy-3-methyl-2-phenoxy-1H-inden-1-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(5-Chloro-4,7-dihydroxy-3-methyl-2-phenoxy-1H-inden-1-yl)propanoic acid","","CC1=C(C(C2=C1C(=C(C=C2O)Cl)O)CCC(=O)O)OC3=CC=CC=C3","KKRONXYHJSQOBI-UHFFFAOYSA-N","359522",NA,"PDBC19862","620505","Present"
-"3-(5-Chlorobenzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, 2HCl salt","","","","","","","","","","","","","","","","","","","","3-(5-chlorobenzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H...","","C1CNCCC1N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=C(O4)C=CC(=C5)Cl.Cl","DJRBYUXIIAIANJ-UHFFFAOYSA-N","54613588",NA,"PDBC19863","748338","Present"
-"3-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylquinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","3-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylquinazolin-4(3H)-one","","CC1=NC2=C(C(=CC=C2)F)C(=O)N1C3=NN=C(S3)C4CC4","SIYPCNYJTHBCDE-UHFFFAOYSA-N","379111",NA,"PDBC19864","663325","Present"
-"3-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1,2-benzothiazole","","","","","","","","","","","","","","","","","","","","3-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1,2-benzisothiazole","","CCC1=NN=C(S1)C2=NSC3=CC=CC=C32","VHLIHEKBIKEZQL-UHFFFAOYSA-N","374726",NA,"PDBC19865","652918","Present"
-"3-(5-Ethylpyridin-2-yl)propanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC35989","","CCC1=CN=C(C=C1)CCC(=O)O.Cl","DRNYNJLWQSQVPU-UHFFFAOYSA-N","54601075",NA,"PDBC19866","35989","Present"
-"3-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N-(2-((3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl)(methyl)amino)ethyl)-N-methylpropanamide","","","","","","","","","","","","","","","","","","","","3-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl]-N-methylpropanamide","","CN(CCN(C)C(=O)CCN1C=C(C(=O)NC1=O)F)C(=O)CCN2C=C(C(=O)NC2=O)F","XXKZDRVPPHNQSL-UHFFFAOYSA-N","376204",NA,"PDBC19867","656741","Present"
-"3-(5-Hydroxy-1-benzofuran-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(5-Hydroxy-1-benzofuran-3-yl)propanoic acid","","C1=CC2=C(C=C1O)C(=CO2)CCC(=O)O","QLXCHSMARQKROJ-UHFFFAOYSA-N","361589",NA,"PDBC19868","624770","Present"
-"3-(5-Hydroxy-2-pyridinyl)-N-(trifluoroacetyl)alanine","","","","","","","","","","","","","","","","","","","","3-(5-Hydroxy-2-pyridinyl)-N-(trifluoroacetyl)alanine","","C1=CC(=NC=C1O)CC(C(=O)O)NC(=O)C(F)(F)F","ADFNZYGKOGQTTA-UHFFFAOYSA-N","385338",NA,"PDBC19869","676456","Present"
-"3-(5-Hydroxy-7-isopropoxy-2H-chromen-4-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(5-hydroxy-7-isopropoxy-2H-chromen-4-yl)propanoic acid","","CC(C)OC1=CC(=C2C(=CCOC2=C1)CCC(=O)O)O","OGNGAQZZEMFRBE-UHFFFAOYSA-N","273497",NA,"PDBC19870","118770","Present"
-"3-(5-Methoxy-1-benzofuran-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(5-Methoxy-1-benzofuran-3-yl)propanoic acid","","COC1=CC2=C(C=C1)OC=C2CCC(=O)O","VZPMUJFKNXHPCE-UHFFFAOYSA-N","361591",NA,"PDBC19871","624772","Present"
-"3-(5-Methoxy-2-oxo-7-phenylmethoxychromen-4-yl)propanoic acid;3-(7-methoxy-2-oxo-5-phenylmethoxychromen-4-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(5-Methoxy-2-oxo-7-phenylmethoxychromen-4-yl)propanoic acid;3-(7-methoxy-2-oxo-5-phenylmethoxychromen-4-yl)propanoic acid","","COC1=CC2=C(C(=CC(=O)O2)CCC(=O)O)C(=C1)OCC3=CC=CC=C3.COC1=CC(=CC2=C1C(=CC(=O)O2)CCC(=O)O)OCC3=CC=CC=C3","CTQHVQPXRZRRHJ-UHFFFAOYSA-N","273493",NA,"PDBC19872","118767","Present"
-"3-(5-Methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(5-Methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","CC1=CN=C(S1)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","JVFIYTWWMNJCEX-UHFFFAOYSA-N","24204100",NA,"PDBC19873","730594","Present"
-"3-(5-Methyl-2-pyridinyl)-1,5-pentanediol","","","","","","","","","","","","","","","","","","","","3-(5-Methyl-2-pyridinyl)-1,5-pentanediol","","CC1=CN=C(C=C1)C(CCO)CCO","KBKLGHQPXGVYAR-UHFFFAOYSA-N","386848",NA,"PDBC19874","679582","Present"
-"3-(5-Methyl-4-nitroso-1H-pyrazol-3-yl)isoxazole","","","","","","","","","","","","","","","","","","","","3-(5-Methyl-4-nitroso-1H-pyrazol-3-yl)isoxazole","","CC1=C(C(=NN1)C2=NOC=C2)N=O","ZFRMBJNWECXXLQ-UHFFFAOYSA-N","330583",NA,"PDBC19875","319662","Present"
-"3-(5-Methylsulfanyl-3-oxo-1,2,4-triazin-2-yl)propanenitrile","","","","","","","","","","","","","","","","","","","","3-(5-Methylsulfanyl-3-oxo-1,2,4-triazin-2-yl)propanenitrile","","CSC1=NC(=O)N(N=C1)CCC#N","HRYBLBWLZJBHGG-UHFFFAOYSA-N","356473",NA,"PDBC19876","612238","Present"
-"3-(5-Nitro-2-furyl)-2-(benzyl-1,4-triazol-2-yl)-acrylonitr ile","","","","","","","","","","","","","","","","","","","","3-(5-nitro-2-furyl)-2-(benzyl-1,3,4-triazol-2-yl)-acrylo...","","C1=CC=C(C=C1)CC2=NC(=NN2)C(=CC3=CC=C(O3)[N+](=O)[O-])C#N","NTIDGBCKTXTYPD-FMIVXFBMSA-N","5472657",NA,"PDBC19877","720628","Present"
-"3-(5-Nitro-[1,2,4]triazol-1-yl)-propane-1-sulfonic acid, [2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-amide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Methyl-5-nitroimidazolyl)-ethyl]-3-(3-nitro-1,2,...","","CC1=NC=C(N1CCNS(=O)(=O)CCCN2C(=NC=N2)[N+](=O)[O-])[N+](=O)[O-]","LWQJDQZVQSLPNG-UHFFFAOYSA-N","375690",NA,"PDBC19878","655548","Present"
-"3-(5-Oxo-5H-benzo[a]phenoxazin-9-yl)alanine","","","","","","","","","","","","","","","","","","","","3-(5-Oxo-5H-benzo[a]phenoxazin-9-yl)alanine","","C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=C(C=C4)CC(C(=O)O)N","NZELGSWHCAMWKR-UHFFFAOYSA-N","376551",NA,"PDBC19879","657566","Present"
-"3-(5-Phenyl-1H-pyrrol-2-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","4Q5L9NX4R8","","C1=CC=C(C=C1)C2=CC=C(N2)CCC(=O)O","RSKVDNXGAFVGIU-UHFFFAOYSA-N","96467",NA,"PDBC19880","75600","Present"
-"3-(5-Quinolinylimino)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(5-Quinolinylimino)-1,3-dihydro-2H-indol-2-one","","C1=CC=C2C(=C1)C(=NC3=CC=CC4=C3C=CC=N4)C(=O)N2","FEMNWLUUNIQGHS-UHFFFAOYSA-N","135451592",NA,"PDBC19881","117198","Present"
-"3-(5-Tert-Butyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(5-Tert-Butyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)propanamide","","CC(C)(C)C1=NNC(=C1)CCC(=O)NC2=CC=C(C=C2)OC","HYVMARKFMHAXIR-UHFFFAOYSA-N","364359",NA,"PDBC19882","630370","Present"
-"3-(5-Tert-Butyl-2-oxocyclohexyl)-1-(4-methoxyphenyl)-2,5-pyrrolidinedione","","","","","","","","","","","","","","","","","","","","3-(5-Tert-Butyl-2-oxocyclohexyl)-1-(4-methoxyphenyl)-2,5-pyrrolidinedione","","CC(C)(C)C1CCC(=O)C(C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC","ZJAKQAZFSNFVHD-UHFFFAOYSA-N","376300",NA,"PDBC19883","657015","Present"
-"3-(5-Thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,4,5-trichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(5-Thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,4,5-trichlorophenyl)propanamide","","C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCC2=NC(=S)NN2","JZUHCNSDUBXMIG-UHFFFAOYSA-N","3004073",NA,"PDBC19884","625824","Present"
-"3-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-N-(2,4,5-trichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-N-(2,4,5-trichlorophenyl)propanamide","","C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCC2=NNC(=S)O2","QDGSWJWHDBXISH-UHFFFAOYSA-N","3004199",NA,"PDBC19885","636093","Present"
-"3-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-N-(2-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-N-(2-(trifluoromethyl)phenyl)propanamide","","C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCC2=NNC(=S)O2","SMEGDNSACNQRSQ-UHFFFAOYSA-N","3004206",NA,"PDBC19886","636107","Present"
-"3-(5-Thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(3-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(5-Thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(3-(trifluoromethyl)phenyl)propanamide","","C1=CC(=CC(=C1)NC(=O)CCC2=NC(=S)NN2)C(F)(F)F","VPBOXSVRNCVRNZ-UHFFFAOYSA-N","3004190",NA,"PDBC19887","635549","Present"
-"3-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)propanoic acid","","C1C2=CN=C(N=C2C3=CC=CC=C3O1)NCCC(=O)O","LPWJVAXSPFRABS-UHFFFAOYSA-N","390582",NA,"PDBC19888","688105","Present"
-"3-(6-(1,3-Benzodioxol-5-ylmethylene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[(6Z)-6-(1,3-Benzodioxol-5-ylmethylidene)-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide","","C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N4C(=NN=C4S3)CCC(=O)NC5=C(C=CC(=C5)Cl)Cl","RKUQFTYFSYZMJE-IUXPMGMMSA-N","5388391",NA,"PDBC19889","635543","Present"
-"3-(6-(2,4-Dichlorobenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,4,5-trichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[(6Z)-6-[(2,4-Dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,4,5-trichlorophenyl)propanamide","","C1=CC(=C(C=C1Cl)Cl)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC(=C(C=C4Cl)Cl)Cl","XEDMPWJCRXPRIG-BNCCVWRVSA-N","5388306",NA,"PDBC19890","634667","Present"
-"3-(6-(2-(Hydroxy(oxido)amino)benzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,4,5-trichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[(6Z)-6-[(2-Nitrophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,4,5-trichlorophenyl)propanamide","","C1=CC=C(C(=C1)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC(=C(C=C4Cl)Cl)Cl)[N+](=O)[O-]","KOFGADPCOVJNNA-APSNUPSMSA-N","5388386",NA,"PDBC19891","635536","Present"
-"3-(6-(2-Chlorobenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[(6Z)-6-[(2-Chlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide","","C1=CC=C(C(=C1)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=C(C=CC(=C4)Cl)Cl)Cl","SKPZHUYUYHUEPT-SXGWCWSVSA-N","5388311",NA,"PDBC19892","634672","Present"
-"3-(6-(3,4-Dichlorobenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(3,4-dichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-3-[(6Z)-6-[(3,4-dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide","","C1=CC(=C(C=C1C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC(=C(C=C4)Cl)Cl)Cl)Cl","ANKSQCATFOIWHW-PXNMLYILSA-N","5387700",NA,"PDBC19893","625831","Present"
-"3-(6-(3-(Hydroxy(oxido)amino)benzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(4-methylphenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methylphenyl)-3-[(6Z)-6-[(3-nitrophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide","","CC1=CC=C(C=C1)NC(=O)CCC2=NN=C3N2C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])S3","IPBJDLCUXJYWLD-ATVHPVEESA-N","5388398",NA,"PDBC19894","635553","Present"
-"3-(6-(4-(Acetylamino)benzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2-chlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[(6Z)-6-[(4-Acetamidophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2-chlorophenyl)propanamide","","CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC=CC=C4Cl","GMFKWGHTOCXOHC-PDGQHHTCSA-N","5388310",NA,"PDBC19895","634671","Present"
-"3-(6-(4-(Dimethylamino)benzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,6-dimethylphenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[(6Z)-6-[[4-(Dimethylamino)phenyl]methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,6-dimethylphenyl)propanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCC2=NN=C3N2C(=O)C(=CC4=CC=C(C=C4)N(C)C)S3","BPLCLLASTFHUSQ-RGEXLXHISA-N","5387698",NA,"PDBC19896","625829","Present"
-"3-(6-(4-Chlorobenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,6-dimethylphenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[(6Z)-6-[(4-Chlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,6-dimethylphenyl)propanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCC2=NN=C3N2C(=O)C(=CC4=CC=C(C=C4)Cl)S3","QSWGTKLVHUKLPZ-ATVHPVEESA-N","5388394",NA,"PDBC19897","635548","Present"
-"3-(6-(4-Methoxybenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(3-(trifluoromethyl)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[(6Z)-6-[(4-Methoxyphenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide","","COC1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC=CC(=C4)C(F)(F)F","ZGSQXJDKPNRYSI-BOPFTXTBSA-N","5387696",NA,"PDBC19898","625826","Present"
-"3-(6-Acetyl-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","3-(6-Acetyl-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl)benzonitrile","","CC(=O)N1C(=O)C2=C(C1=O)C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C#N","HOGQMAJDYMOZDI-UHFFFAOYSA-N","365551",NA,"PDBC19899","633257","Present"
-"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2,4-bis(hydroxy(oxido)amino)phenyl)-2-hydrazonopropanamide","","","","","","","","","","","","","","","","","","","","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2,4-bis(hydroxy(oxido)amino)phenyl)-2-hydrazonopropanamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=NN)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","AXOIWUIQJOTEHX-BRPDVVIDSA-N","5916053",NA,"PDBC19900","642046","Present"
-"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]-2-oxopropanamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C(=O)NC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]","GYRWLEIGBNHTRK-UHFFFAOYSA-N","371998",NA,"PDBC19901","646814","Present"
-"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-2-oxopropanamide","","COC1=CC(=C(C=C1)NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)[N+](=O)[O-]","ZVUZGBIMPSVSRT-UHFFFAOYSA-N","372882",NA,"PDBC19902","648594","Present"
-"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)phenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)phenyl)-2-oxopropanamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C(=O)NC4=CC=CC=C4[N+](=O)[O-]","UQWYHDAVYLDOCZ-UHFFFAOYSA-N","372898",NA,"PDBC19903","648610","Present"
-"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-bromophenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-bromophenyl)-2-oxopropanamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C(=O)NC4=CC=C(C=C4)Br","PNKISBTXXXXQFZ-UHFFFAOYSA-N","372896",NA,"PDBC19904","648608","Present"
-"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-chloro-2-methylphenyl)-2-(isonicotinoylhydrazono)propanamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-1-(4-chloro-2-methylanilino)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=NNC(=O)C2=CC=NC=C2)CC3=NC4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)NC3=O","LTNPZBURFZHTKJ-NXEFEZKASA-N","5900390",NA,"PDBC19905","648653","Present"
-"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O","XEUIOUDXLXHMEY-UHFFFAOYSA-N","371999",NA,"PDBC19906","646815","Present"
-"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(5-(hydroxy(oxido)amino)-2-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(5-(hydroxy(oxido)amino)-2-methylphenyl)-2-oxopropanamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O","YUANUIYIQYVZJR-UHFFFAOYSA-N","372000",NA,"PDBC19907","646816","Present"
-"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-butyl-N-ethyl-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-butyl-N-ethyl-2-oxopropanamide","","CCCCN(CC)C(=O)C(=O)CC1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O","XUGIPIDVNFAXSM-UHFFFAOYSA-N","371985",NA,"PDBC19908","646800","Present"
-"3-(6-Benzylidene-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[(6Z)-6-Benzylidene-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide","","C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=C(C=CC(=C4)Cl)Cl","UACMQTLRFLWSIU-YBEGLDIGSA-N","5388395",NA,"PDBC19909","635550","Present"
-"3-(6-Bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile","","","","","","","","","","","","","","","","","","","","3-(6-Bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile","","COC1=CC(=CC(=C1OC)OC)C(CC#N)(C2=CC3=C(C=C2Br)OCO3)O","ILGWFOAENWTHCZ-UHFFFAOYSA-N","392686",NA,"PDBC19910","693404","Present"
-"3-(6-Bromo-3-methyl-4-oxoquinazolin-2-yl)propanenitrile","","","","","","","","","","","","","","","","","","","","3-(6-Bromo-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanenitrile","","CN1C(=NC2=C(C1=O)C=C(C=C2)Br)CCC#N","CVQGKLBWTGUTBE-UHFFFAOYSA-N","369096",NA,"PDBC19911","640653","Present"
-"3-(6-Bromohexyl)-13-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","","","","","","","","","","","","","","","","","","","12-(6-Bromohexyl)-6-hydroxy-12,13-dihydro-5H-indolo[2,3-...","","C1=CC=C2C(=C1)C3=C4C(=C5C6=CC=CC=C6N(C5=C3N2)CCCCCCBr)C(=O)N(C4=O)O","HBHZVDAQXJCZJT-UHFFFAOYSA-N","155812231",NA,"PDBC19912","783509","Present"
-"3-(6-Chloro-1H-benzimidazol-2-yl)-1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","3-(5-chloro-1H-benzo[d]imidazol-2-yl)-1-(4-fluorophenyl)...","","C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(C=C4)F)C5=NC6=C(N5)C=C(C=C6)Cl","QCTDBBGROYUUOS-UHFFFAOYSA-N","155810036",NA,"PDBC19913","765810","Present"
-"3-(6-Chloro-3-hydroxy-2-quinoxalinyl)-N-(2,5-dimethoxyphenyl)-2,4-dioxopentanamide","","","","","","","","","","","","","","","","","","","","3-(6-Chloro-3-hydroxy-2-quinoxalinyl)-N-(2,5-dimethoxyphenyl)-2,4-dioxopentanamide","","CC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=C(C=CC(=C3)OC)OC","YXNCNEACHWMYFR-UHFFFAOYSA-N","369271",NA,"PDBC19914","641002","Present"
-"3-(6-Chloro-3-hydroxy-2-quinoxalinyl)-N-(3-methoxyphenyl)-2,4-dioxopentanamide","","","","","","","","","","","","","","","","","","","","3-(6-Chloro-3-hydroxy-2-quinoxalinyl)-N-(3-methoxyphenyl)-2,4-dioxopentanamide","","CC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC(=CC=C3)OC","DIYOZQSDQNTJCS-UHFFFAOYSA-N","369272",NA,"PDBC19915","641003","Present"
-"3-(6-Chloroimidazo[1,2-a]pyridin-2-yl)phenol","","","","","","","","","","","","","","","","","","","","AQ-776/42801493","","C1=CC(=CC(=C1)O)C2=CN3C=C(C=CC3=N2)Cl","KCUZXFOLZTYCHB-UHFFFAOYSA-N","398301",NA,"PDBC19916","708015","Present"
-"3-(6-Ethyl-2-mercapto-4-pyrimidinyl)-N-(2-(hydroxy(oxido)amino)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(6-Ethyl-2-mercapto-4-pyrimidinyl)-N-(2-(hydroxy(oxido)amino)phenyl)propanamide","","CCC1=NC(=S)NC(=C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-]","OHVTYYKVTDDFKU-UHFFFAOYSA-N","3004142",NA,"PDBC19917","631688","Present"
-"3-(6-Fluoro-1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","3-(5-fluoro-1H-benzo[d]imidazol-2-yl)-1-(4-methoxyphenyl...","","COC1=CC=C(C=C1)C2=C3C(=CC(=N2)C4=NC5=C(N4)C=C(C=C5)F)C6=CC=CC=C6N3","LEUJGIOGEOGCGJ-UHFFFAOYSA-N","155816045",NA,"PDBC19918","765814","Present"
-"3-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid","","","","","","","","","","","","","","","","","","","","3-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid","","C1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O","BCEZAFKVPCTVIX-UHFFFAOYSA-N","408250",NA,"PDBC19919","12181","Present"
-"3-(6-Hydroxytetrahydro-2H-pyran-2-ylidene)-2,4-pentanedione","","","","","","","","","","","","","","","","","","","","3-(6-Hydroxytetrahydro-2H-pyran-2-ylidene)-2,4-pentanedione","","CC(=O)C(=C1CCCC(O1)O)C(=O)C","FWMZGALUJKEPST-UHFFFAOYSA-N","379532",NA,"PDBC19920","664195","Present"
-"3-(6-Mercapto-9H-purin-9-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(6-Mercapto-9H-purin-9-yl)propanoic acid","","C1=NC(=S)C2=C(N1)N(C=N2)CCC(=O)O","ZDOQZHPZIGZOFO-UHFFFAOYSA-N","3246295",NA,"PDBC19921","80727","Present"
-"3-(6-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(6-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","CC1=CC2=C(CC(C2=O)C3C4=CC=CC=C4C(=O)O3)C=C1","DWMXEWMVJGLXMV-UHFFFAOYSA-N","385678",NA,"PDBC19922","677024","Present"
-"3-(6-Nitro-1,3-benzoxazol-2-yl)chromen-2-one","","","","","","","","","","","","","","","","","","","","3-(6-Nitro-1,3-benzoxazol-2-yl)chromen-2-one","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-]","LKYQWIQQBVYNJW-UHFFFAOYSA-N","395986",NA,"PDBC19923","701110","Present"
-"3-(6-Tert-Butyl-2-(cyanoamino)-4-pyrimidinyl)-N-(4-chlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(6-Tert-Butyl-2-(cyanoamino)-4-pyrimidinyl)-N-(4-chlorophenyl)propanamide","","CC(C)(C)C1=NC(=NC(=C1)CCC(=O)NC2=CC=C(C=C2)Cl)NC#N","FITGPYZTDNWNIH-UHFFFAOYSA-N","364870",NA,"PDBC19924","631682","Present"
-"3-(6-Tert-Butyl-2-mercapto-1,2-dihydro-4-pyrimidinyl)-N-(2-(hydroxy(oxido)amino)phenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(6-Tert-Butyl-2-mercapto-1,2-dihydro-4-pyrimidinyl)-N-(2-(hydroxy(oxido)amino)phenyl)propanamide","","CC(C)(C)C1=NC(NC(=C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])S","IFEVIMUMOHZOKT-UHFFFAOYSA-N","364858",NA,"PDBC19925","631671","Present"
-"3-(6-Tert-Butyl-2-mercapto-4-pyrimidinyl)-N-(3,4-dimethylphenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(6-Tert-Butyl-2-mercapto-4-pyrimidinyl)-N-(3,4-dimethylphenyl)propanamide","","CC1=C(C=C(C=C1)NC(=O)CCC2=CC(=NC(=S)N2)C(C)(C)C)C","KEPSYAOVNKHRQY-UHFFFAOYSA-N","3004124",NA,"PDBC19926","630364","Present"
-"3-(6-Tert-Butyl-2-mercapto-4-pyrimidinyl)-N-(4-chlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(6-Tert-Butyl-2-mercapto-4-pyrimidinyl)-N-(4-chlorophenyl)propanamide","","CC(C)(C)C1=NC(=S)NC(=C1)CCC(=O)NC2=CC=C(C=C2)Cl","HQVJAGCOCGMJSU-UHFFFAOYSA-N","3004141",NA,"PDBC19927","631663","Present"
-"3-(6/7-Trifluoro-3-methyl-1,4,5-trimethoxy-phenyl)-propenone","","","","","","","","","","","","","","","","","","","","3-(6/7-trifluoro-3-methyl-1,4-dioxy-quinoxaline-2-yl)-1-...","","CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)C(F)(F)F)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","HYFFCABIVJHXCI-BQYQJAHWSA-N","54613307",NA,"PDBC19928","751152","Present"
-"3-(6H-Indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline","","","","","","","","","","","","","","","","","","","","3-(6H-Indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline","","C1=CC=C2C(=C1)C3=NC4=C(C=C(C=C4)C5=CC6=C(C=C5)N=C7C8=CC=CC=C8NC7=N6)N=C3N2","OEXYMCOIPJJMFP-UHFFFAOYSA-N","5470129",NA,"PDBC19929","697879","Present"
-"3-(7-(Dimethylamino)-2-oxo-2H-chromen-3-yl)-2,2-c]chromen-5-yl acetate","","","","","","","","","","","","","","","","","","","","3-(7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-2,5-dihydro-...","","CC(=O)OC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)C4=CC5=C(C=C(C=C5)N(C)C)OC4=O","JHQXIEOZOOBWEV-UHFFFAOYSA-N","45028498",NA,"PDBC19930","742949","Present"
-"3-(7-(Dimethylamino)-2-oxo-2H-chromen-3-yl)-5-hydroxypyrano[3,2-c]chromen-2(5H)-one","","","","","","","","","","","","","","","","","","","","3-(7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-5-hydroxypyr...","","CN(C)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC4=C(C5=CC=CC=C5OC4O)OC3=O","RDRHOWMSUBIJDP-UHFFFAOYSA-N","45028499",NA,"PDBC19931","742950","Present"
-"3-(7-Benzyloxy-2,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one","","","","","","","","","","","","","","","","","","","","3-(7-Benzyloxy-2,2-dimethylchroman-6-yl)-1-[2,4-dimethox...","","CC(=CCC1=CC(=C(C=C1OC)OC)C(=O)C=CC2=C(C=C3C(=C2)CCC(O3)(C)C)OCC4=CC=CC=C4)C","DVDOOKZOWULHBN-CCEZHUSRSA-N","10839859",NA,"PDBC19932","749212","Present"
-"3-(7-Hydroxy-2-oxo-2H-chromen-4-yl)-N-(2-methyl-5-nitro-phenyl)-2-oxo-propionamide","","","","","","","","","","","","","","","","","","","","3-(7-Hydroxy-2-oxo-2H-chromen-4-yl)-N-(2-methyl-5-nitro-phenyl)-2-oxo-propionamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O","ZJCNOBLJMMWFRC-UHFFFAOYSA-N","5466735",NA,"PDBC19933","641999","Present"
-"3-(7-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-(7-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","CC1=C2C(=CC=C1)CC(C2=O)C3C4=CC=CC=C4C(=O)O3","HCDFFCVIXIBEMA-UHFFFAOYSA-N","385684",NA,"PDBC19934","677030","Present"
-"3-(7H-Benzo[a]phenalen-6-ylmethyl)benzothiophene","","","","","","","","","","","","","","","","","","","","3-(7H-Benzo[a]phenalen-6-ylmethyl)benzothiophene","","C1C2=CC=CC=C2C3=CC=CC4=C3C1=C(C=C4)CC5=CSC6=CC=CC=C65","IVMQMUUDYJMRCA-UHFFFAOYSA-N","365539",NA,"PDBC19935","633239","Present"
-"3-(8-(4-Amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)octyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-ylamine","","","","","","","","","","","","","","","","","","","","3-(8-(4-Amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)octyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-ylamine","","COC1=CC=C(C=C1)C2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)C4=CC=C(C=C4)OC","JUYVFQLAMLAWIQ-UHFFFAOYSA-N","382826",NA,"PDBC19936","670562","Present"
-"3-(8-(Carboxymethoxy)-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(8-(Carboxymethoxy)-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid","","C1CC2=C(C(=CC=C2)OCC(=O)O)C(=O)C1CCC(=O)O","UBVWXAZWNFVASH-UHFFFAOYSA-N","361596",NA,"PDBC19937","624777","Present"
-"3-(8-(Carboxymethoxy)-7-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(8-(Carboxymethoxy)-7-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid","","COC1=C(C2=C(CCC(C2=O)CCC(=O)O)C=C1)OCC(=O)O","PMCYQKDNKWCWAV-UHFFFAOYSA-N","361586",NA,"PDBC19938","624767","Present"
-"3-(8-Hydroxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(8-Hydroxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid","","C1CC2=C(C(=CC=C2)O)C(=O)C1CCC(=O)O","DSGYEDWJTLMBRN-UHFFFAOYSA-N","361599",NA,"PDBC19939","624780","Present"
-"3-(8-Hydroxy-7-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(8-Hydroxy-7-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid","","COC1=C(C2=C(CCC(C2=O)CCC(=O)O)C=C1)O","MYIQXOWJCMLNAK-UHFFFAOYSA-N","361587",NA,"PDBC19940","624768","Present"
-"3-(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-3-yl)propanoic acid","","COC1=C2C3=C(CCC(C3=CO2)CCC(=O)O)C=C1","GAMAFQOPMISSCA-UHFFFAOYSA-N","361584",NA,"PDBC19941","624765","Present"
-"3-(9-Acridinylamino)-5-methyl-2-phenyl-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(9-Acridinylamino)-5-methyl-2-phenyl-1,3-thiazolidin-4-one","","CC1C(=O)N(C(S1)C2=CC=CC=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53","NMQHAXOMRNMCCO-UHFFFAOYSA-N","372838",NA,"PDBC19942","648496","Present"
-"3-(9-Amino-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","3-(9-Amino-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one;hydrochloride","","CN1CCC2=C(C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2N)OCO5)OC.Cl","MPAIWWBSBVZKPH-UHFFFAOYSA-N","45028024",NA,"PDBC19943","740642","Present"
-"3-(9-Benzyl-2-isopropyl-3-methoxycarbonyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(9-Benzyl-2-isopropyl-3-methoxycarbonyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl)propanoic acid","","CC(C)N1C(CC2=C(C1CCC(=O)O)N(C3=CC=CC=C23)CC4=CC=CC=C4)C(=O)OC","PNCBQRPXYQKVKN-UHFFFAOYSA-N","363939",NA,"PDBC19944","629428","Present"
-"3-(9-Methyl-3,4-dihydropyrido[3,4-b]indol-1-yl)tetrahydropyran-2-one","","","","","","","","","","","","","","","","","","","","3-(9-Methyl-3,4-dihydropyrido[3,4-b]indol-1-yl)tetrahydropyran-2-one","","CN1C2=CC=CC=C2C3=C1C(=NCC3)C4CCCOC4=O","CNOFLJBZQWKOIN-UHFFFAOYSA-N","384341",NA,"PDBC19945","674029","Present"
-"3-(9-Phenanthryl)-2-phenylacrylonitrile","","","","","","","","","","","","","","","","","","","","J3.537.385C","","C1=CC=C(C=C1)C(=CC2=CC3=CC=CC=C3C4=CC=CC=C42)C#N","IVMUXVJUQKUNTR-HMMYKYKNSA-N","5388799",NA,"PDBC19946","638632","Present"
-"3-(9-Tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N, dihydrochloride","","","","","","","","","","","","","","","","","","","","3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethy...","","CC(C)(C)C1CCC2(CC1)CCN(CC2)CCCN(C)C.Cl","BHZNRXGJZXJXDO-UHFFFAOYSA-N","54605840",NA,"PDBC19947","64875","Present"
-"3-(9H-Fluoren-9-yl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-(9H-Fluoren-9-yl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)C2C3=CC=CC=C3C4=CC=CC=C24","PKRRPLNMRRULFN-UHFFFAOYSA-N","389910",NA,"PDBC19948","686562","Present"
-"3-(9H-Fluoren-9-yl)-3-azabicyclo[3.2.2]nonane","","","","","","","","","","","","","","","","","","","","3-(9H-Fluoren-9-yl)-3-azabicyclo[3.2.2]nonane","","C1CC2CCC1CN(C2)C3C4=CC=CC=C4C5=CC=CC=C35","ITCRAIAFSNWMER-UHFFFAOYSA-N","259264",NA,"PDBC19949","88999","Present"
-"3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide","","","","","","","","","","","","","","","","","","","","NSC135688","","CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)C","PYQLJWZNYPKLBI-UHFFFAOYSA-N","282303",NA,"PDBC19950","135688","Present"
-"3-(Acetyloxy)-2-(4-methoxyphenyl)-4(3H)-quinazolinethione","","","","","","","","","","","","","","","","","","","","[2-(4-Methoxyphenyl)-4-thioxo-quinazolin-3-yl] acetate","","CC(=O)ON1C(=NC2=CC=CC=C2C1=S)C3=CC=C(C=C3)OC","UAZKMQGIPVQUOG-UHFFFAOYSA-N","389393",NA,"PDBC19951","685459","Present"
-"3-(Acetyloxy)-5-ethyl-6-oxo-6,11-dihydro-5H-indolo[3,2-c]quinolin-9-yl acetate","","","","","","","","","","","","","","","","","","","","3-(Acetyloxy)-5-ethyl-6-oxo-6,11-dihydro-5H-indolo[3,2-c]quinolin-9-yl acetate","","CCN1C2=C(C=CC(=C2)OC(=O)C)C3=C(C1=O)C4=C(N3)C=C(C=C4)OC(=O)C","CYUNOUQHNSMKSV-UHFFFAOYSA-N","376981",NA,"PDBC19952","658202","Present"
-"3-(Acetyloxy)-5-methyl-6-oxo-5,6-dihydro[1]benzofuro[3,2-c]quinolin-9-yl acetate","","","","","","","","","","","","","","","","","","","","3-(Acetyloxy)-5-methyl-6-oxo-5,6-dihydro[1]benzofuro[3,2-c]quinolin-9-yl acetate","","CC(=O)OC1=CC2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)OC(=O)C)C(=O)N2C","HJSHQPIYJRZKHO-UHFFFAOYSA-N","376986",NA,"PDBC19953","658207","Present"
-"3-(Acetyloxy)-6-(cyclohexylamino)-2,4-hexadienyl acetate","","","","","","","","","","","","","","","","","","","","3-(Acetyloxy)-6-(cyclohexylamino)-2,4-hexadienyl acetate","","CC(=O)OCC=C(C=CCNC1CCCCC1)OC(=O)C","CEYZRBYMTQJZEX-RKQKHZQPSA-N","5467953",NA,"PDBC19954","660674","Present"
-"3-(Acetyloxy)-6-oxo-6,11-dihydrochromeno[4,3-b]indol-9-yl acetate","","","","","","","","","","","","","","","","","","","","3-(Acetyloxy)-6-oxo-6,11-dihydrochromeno[4,3-b]indol-9-yl acetate","","CC(=O)OC1=CC2=C(C=C1)C3=C(N2)C4=C(C=C(C=C4)OC(=O)C)OC3=O","VTGBWPLTASCOOP-UHFFFAOYSA-N","376979",NA,"PDBC19955","658200","Present"
-"3-(Acetyloxy)card-20(22)-enolide","","","","","","","","","","","","","","","","","","","","3-(Acetyloxy)card-20(22)-enolide","","CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C5=CC(=O)OC5)C)C","KMGWMSOWTCODGN-UHFFFAOYSA-N","277743",NA,"PDBC19956","126719","Present"
-"3-(Aminomethyl)-2,5,9-trimethyl-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride","","","","","","","","","","","","","","","","","","","","7H-Furo[3,2-g][1]benzopyran-7-one, 3-(aminomethyl)-2,5,9...","","CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN)C.Cl","HAWQZPVGCLHOBD-UHFFFAOYSA-N","148969",NA,"PDBC19957","291836","Present"
-"3-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;1,3-bis(4-chlorophenyl)thiourea","","","","","","","","","","","","","","","","","","","","3-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;1,3-bis(4-chlorophenyl)thiourea","","CC1(CC(CC(C1)(C)CN)N)C.C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Cl)Cl","VUDHNXXYZLBFAG-UHFFFAOYSA-N","5382807",NA,"PDBC19958","151995","Present"
-"3-(Aminomethyl)-N-butyl-7-chloroquinolin-4-amine","","","","","","","","","","","","","","","","","","","","NCI-13239","","CCCCNC1=C2C=CC(=CC2=NC=C1CN)Cl","LKEMVVCLTDWQJE-UHFFFAOYSA-N","224604",NA,"PDBC19959","13239","Present"
-"3-(Anilinocarbonyl)-1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid","","","","","","","","","","","","","","","","","","","","3-(Anilinocarbonyl)-1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid","","CC1(C(C(C(C2=CC=CC=C21)(C)C)C(=O)O)C(=O)NC3=CC=CC=C3)C","HDLLAELPXJDNCH-UHFFFAOYSA-N","363411",NA,"PDBC19960","628315","Present"
-"3-(Anilinocarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(Anilinocarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid","","C1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3","JUSVTXVHDCYHIJ-UHFFFAOYSA-N","245790",NA,"PDBC19961","58025","Present"
-"3-(Anilinomethyl)-5-[8-[4-(anilinomethyl)-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione","","","","","","","","","","","","","","","","","","","","3-(Anilinomethyl)-5-[8-[4-(anilinomethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione","","C1=CC=C(C=C1)NCN2C(=S)OC(=N2)CCCCCCCCC3=NN(C(=S)O3)CNC4=CC=CC=C4","WXHIZQAGNYLKPY-UHFFFAOYSA-N","394058",NA,"PDBC19962","697176","Present"
-"3-(Benzenesulfonyl)-2-iodopropanenitrile","","","","","","","","","","","","","","","","","","","","2-Iodo-3-(phenylsulfonyl)propanenitrile","","C1=CC=C(C=C1)S(=O)(=O)CC(C#N)I","HBXWJJCIVNSECK-UHFFFAOYSA-N","220946",NA,"PDBC19963","4512","Present"
-"3-(Benzenesulfonyl)-7-(2-chlorophenyl)-2-methoxy-5,6-dihydropyrazolo[3,4-h]quinoline","","","","","","","","","","","","","","","","","","","","7-(2-chlorophenyl)-2-methoxy-3-(phenylsulfonyl)-6,7-dihy...","","COC1=C(C=C2CCC3=C(C2=N1)C=NN3C4=CC=CC=C4Cl)S(=O)(=O)C5=CC=CC=C5","XOWRTHAIGRHRSH-UHFFFAOYSA-N","122190675",NA,"PDBC19964","771717","Present"
-"3-(Benzenesulfonyl)prop-1-en-2-yl-triphenylphosphanium;iodide","","","","","","","","","","","","","","","","","","","","NSC623990","","C=C(CS(=O)(=O)C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]","LIJNNLZDIIPTCP-UHFFFAOYSA-M","361158",NA,"PDBC19965","623990","Present"
-"3-(Benzenesulfonyl-methyl-amino)-propionic acid","","","","","","","","","","","","","","","","","","","","STL573340","","CN(CCC(=O)O)S(=O)(=O)C1=CC=CC=C1","LFRXLESUXXFAIP-UHFFFAOYSA-N","268539",NA,"PDBC19966","108802","Present"
-"3-(Benzenesulfonylmethyl)-8,8-dimethyl-2-(phenylsulfanylmethyl)spiro[4.5]decane-6,10-dione","","","","","","","","","","","","","","","","","","","","3-(Benzenesulfonylmethyl)-8,8-dimethyl-2-(phenylsulfanylmethyl)spiro[4.5]decane-6,10-dione","","CC1(CC(=O)C2(CC(C(C2)CS(=O)(=O)C3=CC=CC=C3)CSC4=CC=CC=C4)C(=O)C1)C","XUIZYCMVGWPLCI-UHFFFAOYSA-N","390162",NA,"PDBC19967","687307","Present"
-"3-(Benzo-2,3-thiadiazol-4-ylamino)-7-chloro-8-methyl-1,1-d ioxo-4H-1,5,2-benzodithiazepin-4-ylideneacetic acid","","","","","","","","","","","","","","","","","","","","3-(Benzo-2,1,3-thiadiazol-4-ylamino)-7-chloro-8-methyl-1...","","CC1=CC2=C(C=C1Cl)SC(=CC(=O)O)C(=NS2(=O)=O)NC3=CC=CC4=NSN=C43","UDOGEBFYMJXIIE-NTUHNPAUSA-N","24203096",NA,"PDBC19968","726720","Present"
-"3-(Benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, 2HCl salt","","","","","","","","","","","","","","","","","","","","3-(benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol...","","C1CNCCC1N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=CC=CC=C5O4.Cl","OABNRVVPPIKZHM-UHFFFAOYSA-N","49798416",NA,"PDBC19969","748337","Present"
-"3-(Benzothiazol-6-ylimino)-7-chloro-2,1-dioxo-4H-1,5,2-benzodithiazepin-4-ylideneacetic acid","","","","","","","","","","","","","","","","","","","","3-(Benzothiazol-6-ylamino)-7-chloro-8-methyl-1,1,-dioxo-...","","CC1=CC2=C(C=C1Cl)SC(=CC(=O)O)C(=NS2(=O)=O)NC3=CC4=C(C=C3)N=CS4","HLUDVTHWMJHLGU-VIZOYTHASA-N","24203095",NA,"PDBC19970","726718","Present"
-"3-(Benzotriazol-1-ylmethyl)-2-methylchromen-4-one","","","","","","","","","","","","","","","","","","","","3-(Benzotriazol-1-ylmethyl)-2-methylchromen-4-one","","CC1=C(C(=O)C2=CC=CC=C2O1)CN3C4=CC=CC=C4N=N3","FIEZIBHGUNHLMX-UHFFFAOYSA-N","358808",NA,"PDBC19971","618877","Present"
-"3-(Benzyl-2-(1,3-dithian-2-yl)anilino)-4-isopropoxy-3-cyclobutene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-(Benzyl-2-(1,3-dithian-2-yl)anilino)-4-isopropoxy-3-cyclobutene-1,2-dione","","CC(C)OC1=C(C(=O)C1=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C4SCCCS4","WSONNFAMKXLWLZ-UHFFFAOYSA-N","389274",NA,"PDBC19972","685027","Present"
-"3-(Benzylamino)-1-naphthalen-2-ylpropan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","3-(Benzylamino)-1-naphthalen-2-ylpropan-1-ol;hydrochloride","","C1=CC=C(C=C1)CNCCC(C2=CC3=CC=CC=C3C=C2)O.Cl","VKJMZICSFFKRGW-UHFFFAOYSA-N","54603596",NA,"PDBC19973","23418","Present"
-"3-(Benzylamino)-4-(2-fluorobenzoyl)cyclobut-3-ene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-(Benzylamino)-4-(2-fluorobenzoyl)cyclobut-3-ene-1,2-dione","","C1=CC=C(C=C1)CNC2=C(C(=O)C2=O)C(=O)C3=CC=CC=C3F","QTKUBMCOFOTHBO-UHFFFAOYSA-N","389270",NA,"PDBC19974","685023","Present"
-"3-(Benzylamino)-4-(2-methoxybenzoyl)cyclobut-3-ene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-(Benzylamino)-4-(2-methoxybenzoyl)cyclobut-3-ene-1,2-dione","","COC1=CC=CC=C1C(=O)C2=C(C(=O)C2=O)NCC3=CC=CC=C3","INLBMJFEKAXFFB-UHFFFAOYSA-N","389269",NA,"PDBC19975","685022","Present"
-"3-(Benzyloxy)-2-((benzyloxy)methyl)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene","","","","","","","","","","","","","","","","","","","","3-(Benzyloxy)-2-((benzyloxy)methyl)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene","","C1C2=CC=CC=C2C3C(O1)C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5","DDSMNKYRACJCFU-UHFFFAOYSA-N","362353",NA,"PDBC19976","626098","Present"
-"3-(Benzyloxy)-8,9-dimethoxybenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","3-(Benzyloxy)-8,9-dimethoxybenzo[c]phenanthridine","","COC1=C(C=C2C3=C(C4=C(C=CC(=C4)OCC5=CC=CC=C5)C=C3)N=CC2=C1)OC","HVWZGTCNNAXXNY-UHFFFAOYSA-N","371248",NA,"PDBC19977","645307","Present"
-"3-(Benzyloxy)-N-(2-(diethylamino)ethyl)-2-(hydroxy(oxido)amino)-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","Benzamide, N-[2-(diethylamino)ethyl]-4-methyl-2-nitro- 3...","","CCN(CC)CCNC(=O)C1=C(C(=C(C=C1)C)OCC2=CC=CC=C2)[N+](=O)[O-]","DJKSAAIJNPBGNG-UHFFFAOYSA-N","290831",NA,"PDBC19978","155246","Present"
-"3-(Benzylsulfonyl)-2-oxo-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-(Benzylsulfonyl)-2-oxo-3-phenylpropanamide","","C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=CC=C2)C(=O)C(=O)N","LCKONQIIZYWIMG-UHFFFAOYSA-N","376681",NA,"PDBC19979","657725","Present"
-"3-(Benzylthio)propanoic acid","","","","","","","","","","","","","","","","","","","",".beta.-(Benzylthio)propionic acid","","C1=CC=C(C=C1)CSCCC(=O)O","NDBNSZKHDMXOJE-UHFFFAOYSA-N","221428",NA,"PDBC19980","5996","Present"
-"3-(Bis((4-methylphenyl)sulfonyl)amino)-2-quinoxalinyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","3-(Bis((4-methylphenyl)sulfonyl)amino)-2-quinoxalinyl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC3=CC=CC=C3N=C2OS(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C","FYNQLTHCAGGXNQ-UHFFFAOYSA-N","381310",NA,"PDBC19981","667748","Present"
-"3-(Bis(2,5-dichloro-3-thienyl)methyl)-2,5-dichlorothiophene","","","","","","","","","","","","","","","","","","","","3-(Bis(2,5-dichloro-3-thienyl)methyl)-2,5-dichlorothiophene","","C1=C(SC(=C1C(C2=C(SC(=C2)Cl)Cl)C3=C(SC(=C3)Cl)Cl)Cl)Cl","UOPAGGQQXAUQQS-UHFFFAOYSA-N","392983",NA,"PDBC19982","694225","Present"
-"3-(Bromomethyl)-2,3,6,7-tetrachloro-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","3-(Bromomethyl)-2,3,6,7-tetrachloro-7-methyloct-1-ene","","CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Cl)Cl","MCVCWSYWDGWKFL-UHFFFAOYSA-N","382928",NA,"PDBC19983","670805","Present"
-"3-(Bromomethyl)-2,3,6-trichloro-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","3-(Bromomethyl)-2,3,6-trichloro-7-methyloct-1-ene","","CC(C)C(CCC(CBr)(C(=C)Cl)Cl)Cl","OLTBFQIGWLAESB-UHFFFAOYSA-N","382927",NA,"PDBC19984","670804","Present"
-"3-(Bromomethyl)-2-quinoxalinol","","","","","","","","","","","","","","","","","","","","2(1H)-Quinoxalinone, 3-(bromomethyl)-","","C1=CC=C2C(=C1)NC(=O)C(=N2)CBr","SOTAKCFOTFCVSS-UHFFFAOYSA-N","286254",NA,"PDBC19985","144168","Present"
-"3-(Bromomethyl)-7-(trifluoromethyl)-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","1H-Quinoxalin-2-one, 3-(bromomethyl)-7-(trifluoromethyl)-","","C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=N2)CBr","INEQYXAPHQOALZ-UHFFFAOYSA-N","393632",NA,"PDBC19986","695840","Present"
-"3-(Bromomethyl)-7-nitro-3-(2-oxopropyl)-1,4-dihydroquinoxalin-2-one","","","","","","","","","","","","","","","","","","","","3-(Bromomethyl)-7-nitro-3-(2-oxopropyl)-1,4-dihydroquinoxalin-2-one","","CC(=O)CC1(C(=O)NC2=C(N1)C=CC(=C2)[N+](=O)[O-])CBr","PQTRBKMIKGNFDH-UHFFFAOYSA-N","3514224",NA,"PDBC19987","701694","Present"
-"3-(Carboxymethyl)-5,6-dimethyl-1H-indazole-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(Carboxymethyl)-5,6-dimethyl-1H-indazole-7-carboxylic acid","","CC1=CC2=C(NN=C2C(=C1C)C(=O)O)CC(=O)O","YHZFYJOHOYKWBU-UHFFFAOYSA-N","367591",NA,"PDBC19988","637423","Present"
-"3-(Carboxymethylamino)propanoic acid","","","","","","","","","","","","","","","","","","","","CL5","","C(CNCC(=O)O)C(=O)O","GAUBNQMYYJLWNF-UHFFFAOYSA-N","281622",NA,"PDBC19989","134478","Present"
-"3-(Chloromethyl)-1-methylsulfonyl-6-nitro-indoline","","","","","","","","","","","","","","","","","","","","3-(Chloromethyl)-1-methylsulfonyl-6-nitro-indoline","","CS(=O)(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])CCl","KQFWWSNHFKWFQO-UHFFFAOYSA-N","387910",NA,"PDBC19990","682142","Present"
-"3-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,3-dihydro-1-benzofuran","","","","","","","","","","","","","","","","","","","","3-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,3-dihydro-1-benzofuran","","COC1=C(C=C(C=C1)C2C(C3=CC(=C(C=C3O2)OC)OC)CCl)OC","GGIVBKRXKGZZFT-UHFFFAOYSA-N","375590",NA,"PDBC19991","655412","Present"
-"3-(Chloromethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide","","","","","","","","","","","","","","","","","","","","3-(Chloromethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide","","C1=NC(=C2N1C(=O)N(N=N2)CCl)C(=O)N","JPRKRRQKCOHYIB-UHFFFAOYSA-N","390993",NA,"PDBC19992","689301","Present"
-"3-(Chloromethyl)-6-hydroxy-1-((5,7-trimethoxyindol-2-yl)carbonyl)indoline","","","","","","","","","","","","","","","","","","","","3-(Chloromethyl)-6-hydroxy-1-((5,6,7-trimethoxyindol-2-y...","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)O)CCl)OC)OC","KFMLAUJMEDHHPN-UHFFFAOYSA-N","386019",NA,"PDBC19993","677588","Present"
-"3-(Chloromethyl)-N,N-dimethyl-1-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-6-indolinamine","","","","","","","","","","","","","","","","","","","","Methanone, 3-(chloromethyl)-2,3-dihydro-6-(dimethylamino...","","CN(C)C1=CC2=C(C=C1)C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl","JCTJPWQWAMFGAX-UHFFFAOYSA-N","388045",NA,"PDBC19994","682506","Present"
-"3-(Cyclohexylideneamino)-1-propanol","","","","","","","","","","","","","","","","","","","","3-(Cyclohexylideneamino)-1-propanol","","C1CCC(=NCCCO)CC1","IKMCSMDJOQVPFU-UHFFFAOYSA-N","276943",NA,"PDBC19995","128911","Present"
-"3-(Cyclopropylmethyl)-4a-hydroxy-9-(1-phenyltetrazol-5-yl)oxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","","","","","","","","","","","","","","","","","","","","3-(Cyclopropylmethyl)-4a-hydroxy-9-(1-phenyltetrazol-5-yl)oxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one","","C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)OC7=NN=NN7C8=CC=CC=C8)O5)O","SSAIAGQCSVOGMK-UHFFFAOYSA-N","398248",NA,"PDBC19996","707847","Present"
-"3-(Cyclopropylmethyl)-9-methoxyspiro[1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,2'-1,3-dioxolane]","","","","","","","","","","","","","","","","","","","","3-(Cyclopropylmethyl)-9-methoxyspiro[1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,2'-1,3-dioxolane]","","COC1=C2C3=C(CC4C5C3(CCN4CC6CC6)C(O2)C7(CC5)OCCO7)C=C1","ZKNHXBONWOGIMA-UHFFFAOYSA-N","292216",NA,"PDBC19997","157874","Present"
-"3-(Diallylaminomethyl)-indole","","","","","","","","","","","","","","","","","","","","3-(diallylaminomethyl)-indole","","C=CCN(CC=C)CC1=CNC2=CC=CC=C21","QCAGDBAHYRSLLN-UHFFFAOYSA-N","714712",NA,"PDBC19998","730608","Present"
-"3-(Diaminomethylideneamino)-3-phenylpropanoic acid","","","","","","","","","","","","","","","","","","","","N-(Amino(imino)methyl)-3-phenyl--alanine","","C1=CC=C(C=C1)C(CC(=O)O)N=C(N)N","GWIWNJDXMZQSHM-UHFFFAOYSA-N","240906",NA,"PDBC19999","47799","Present"
-"3-(Dianilinomethylidene)-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","3-(Dianilinomethylidene)-1,1-dimethylthiourea","","CN(C)C(=S)N=C(NC1=CC=CC=C1)NC2=CC=CC=C2","ASMLSTFEFKCSDT-UHFFFAOYSA-N","3830570",NA,"PDBC20000","622581","Present"
-"3-(Dibenzylamino)-4-phenylazetidin-2-one","","","","","","","","","","","","","","","","","","","","3-(Dibenzylamino)-4-phenyl-2-azetidinone","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3C(NC3=O)C4=CC=CC=C4","NCBPYFZKSGGZGP-UHFFFAOYSA-N","496457",NA,"PDBC20001","689617","Present"
-"3-(Diethylamino)-1-phenylpropan-1-one;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC322068","","CCN(CC)CCC(=O)C1=CC=CC=C1.Br","YQWKYYIGYQIBLY-UHFFFAOYSA-N","24199322",NA,"PDBC20002","322068","Present"
-"3-(Diethylamino)-4-(2-phenylethynyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","3-(Diethylamino)-4-(2-phenylethynyl)azetidin-2-one","","CCN(CC)C1C(NC1=O)C#CC2=CC=CC=C2","CNJGEBDMMZACBG-UHFFFAOYSA-N","496456",NA,"PDBC20003","689616","Present"
-"3-(Diethylamino)-4-ethynyl-2-azetidinone","","","","","","","","","","","","","","","","","","","","3-(Diethylamino)-4-ethynyl-2-azetidinone","","CCN(CC)C1C(NC1=O)C#C","SSRZWGRQVFFNEB-UHFFFAOYSA-N","496455",NA,"PDBC20004","689615","Present"
-"3-(Diethylamino)-7-[(2Z)-2-(2-oxonaphthalen-1(2H)-ylidene)hydrazinyl]-5-phenylphenazin-5-ium chloride","","","","","","","","","","","","","","","","","","","","Phenazinium (8CI), 3-(diethylamino)-7-[(2-hydroxy-1-naph...","","CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=C(C=CC5=CC=CC=C54)O)N=C2C=C1)C6=CC=CC=C6.[Cl-]","KLHTUABFONQJOH-UHFFFAOYSA-N","135421850",NA,"PDBC20005","16222","Present"
-"3-(Diethylamino)-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-(Diethylamino)-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide","","CCN(CC)CCC(=O)NC1=NC2=C(C=C1)SC3=CC=CC=C3C2=O","NQOBIPVNIBYOLV-UHFFFAOYSA-N","383033",NA,"PDBC20006","671014","Present"
-"3-(Diethylamino)-N-(4-methyl-9H-xanthen-9-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-(Diethylamino)-N-(4-methyl-9H-xanthen-9-yl)propanamide","","CCN(CC)CCC(=O)NC1C2=CC=CC=C2OC3=C(C=CC=C13)C","AZBIGTAPZFFJAP-UHFFFAOYSA-N","366827",NA,"PDBC20007","635599","Present"
-"3-(Diethylamino)-N-(6,11-dihydroxy-5,12-dioxotetracen-1-yl)propanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","3-(Diethylamino)-N-(6,11-dihydroxy-5,12-dioxotetracen-1-yl)propanamide;hydrochloride","","CCN(CC)CCC(=O)NC1=CC=CC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O.Cl","WWVOQICGZNTEOR-UHFFFAOYSA-N","54600915",NA,"PDBC20008","150837","Present"
-"3-(Diethylamino)propyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","3-(Diethylamino)propyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate","","CCN(CC)CCCOC(=O)C=CC1=C(NC(=O)NC1=O)C","PKAHNGYBKCLKLY-BQYQJAHWSA-N","6161495",NA,"PDBC20009","184711","Present"
-"3-(Dimethoxymethyl)-2-methylpyridine","","","","","","","","","","","","","","","","","","","","3-(Dimethoxymethyl)-2-methylpyridine","","CC1=C(C=CC=N1)C(OC)OC","DHTHMXWOLMLBRX-UHFFFAOYSA-N","371008",NA,"PDBC20010","644871","Present"
-"3-(Dimethyl(phenylthio)germyl)propanenitrile","","","","","","","","","","","","","","","","","","","","3-(Dimethyl(phenylthio)germyl)propanenitrile","","C[Ge](C)(CCC#N)SC1=CC=CC=C1","SUILLRHGWSOZRM-UHFFFAOYSA-N","16683240",NA,"PDBC20011","650711","Present"
-"3-(Dimethylamino)-1-(4-methoxyphenyl)-2-phenylpropan-1-one;hydrobromide","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-1-(4-methoxyphenyl)-2-phenylpropan-1-one;hydrobromide","","CN(C)CC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OC.Br","IPZXKCDJABZINC-UHFFFAOYSA-N","54598857",NA,"PDBC20012","33556","Present"
-"3-(Dimethylamino)-2,2-bis((dimethylamino)methyl)-1-propanol","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-2,2-bis((dimethylamino)methyl)-1-propanol","","CN(C)CC(CN(C)C)(CN(C)C)CO","DHAJNMVHAHUQDU-UHFFFAOYSA-N","377576",NA,"PDBC20013","659145","Present"
-"3-(Dimethylamino)-2-methyl-1-phenylpropan-1-one;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC327727","","CC(CN(C)C)C(=O)C1=CC=CC=C1.Br","AJPOWGSHRPQGIS-UHFFFAOYSA-N","24199433",NA,"PDBC20014","327727","Present"
-"3-(Dimethylamino)-2-phenyl-1,2-dihydroquinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-2-phenyl-1,2-dihydroquinazolin-4-one","","CN(C)N1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3","MWEPSTZBCBSHQK-UHFFFAOYSA-N","355542",NA,"PDBC20015","609405","Present"
-"3-(Dimethylamino)-4-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]cyclobut-3-ene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-4-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]cyclobut-3-ene-1,2-dione","","CN(C)C1=C(C(=O)C1=O)C2CC(C(O2)CO)O","LMWTXQXIXVGRBA-UHFFFAOYSA-N","393544",NA,"PDBC20016","695606","Present"
-"3-(Dimethylamino)-5,5-diphenyl-1,3-thiazinane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-5,5-diphenyl-1,3-thiazinane-2,4-dione","","CN(C)N1C(=O)C(CSC1=O)(C2=CC=CC=C2)C3=CC=CC=C3","YDKQDKUOKBZKHR-UHFFFAOYSA-N","342856",NA,"PDBC20017","380744","Present"
-"3-(Dimethylamino)-5,7-dimethyl-[1,2]selenazolo[3,4-d]pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-5,7-dimethyl[1,2]selenazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione","","CN1C2=N[Se]C(=C2C(=O)N(C1=O)C)N(C)C","HIBSAXFDEVPFPM-UHFFFAOYSA-N","370133",NA,"PDBC20018","642723","Present"
-"3-(Dimethylamino)-5-{methyl[(methylthio)carbonothioyl]amino}-1,2,4-dithiazol-1-ium fluoridosulfate","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-5-{methyl[(methylthio)carbonothioyl]amino}-1,2,4-dithiazol-1-ium fluoridosulfate","","CN(C1=NC(=[N+](C)C)SS1)C(=S)SC.[O-]S(=O)(=O)F","AXOGLWDTTHUGSP-UHFFFAOYSA-M","360518",NA,"PDBC20019","622654","Present"
-"3-(Dimethylamino)-6,7-dimethyl-1,1-dioxo-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-6,7-dimethyl-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide","","CC1=C(OC2=C1S(=O)(=O)C(=C(N2)N(C)C)C#N)C","GETPMQFUCJNYFN-UHFFFAOYSA-N","392833",NA,"PDBC20020","693811","Present"
-"3-(Dimethylamino)-6h-benzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-6h-benzo[c]chromen-6-one","","CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2","BEMAPOPZFOZVDQ-UHFFFAOYSA-N","265849",NA,"PDBC20021","102371","Present"
-"3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium bromide","","","","","","","","","","","","","","","","","","","","Azure B bromide","","CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Br-]","YZBBIPYXARUWAV-UHFFFAOYSA-N","13797451",NA,"PDBC20022","16166","Present"
-"3-(Dimethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)propanamide","","CC1=C2C(=CC=C1)C(C3=CC=CC=C3S2)NC(=O)CCN(C)C","ALIQVRVVXGOJJS-UHFFFAOYSA-N","366832",NA,"PDBC20023","635604","Present"
-"3-(Dimethylamino)-N-(indolizino[2,3-b]quinoxalin-12-ylmethyl)propanamide","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-N-(indolizino[2,3-b]quinoxalin-12-ylmethyl)propanamide","","CN(C)CCC(=O)NCC1=C2C=CC=CN2C3=NC4=CC=CC=C4N=C13","LDCJDHRRYDWENQ-UHFFFAOYSA-N","24204700",NA,"PDBC20024","732504","Present"
-"3-(Dimethylamino)-N-[4-[4-[3-[[3-[1-[4-[3-(dimethylamino)propanoylamino]phenyl]triazol-4-yl]phenyl]carbamothioylamino]phenyl]triazol-1-yl]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-N-[4-[4-[3-[[3-[1-[4-[3-(dimethylamino)propanoylamino]phenyl]triazol-4-yl]phenyl]carbamothioylamino]phenyl]triazol-1-yl]phenyl]propanamide","","CN(C)CCC(=O)NC1=CC=C(C=C1)N2C=C(N=N2)C3=CC(=CC=C3)NC(=S)NC4=CC=CC(=C4)C5=CN(N=N5)C6=CC=C(C=C6)NC(=O)CCN(C)C","KFVHUTKPTJKAIW-UHFFFAOYSA-N","60148205",NA,"PDBC20025","753941","Present"
-"3-(Dimethylamino)chromen-2-one","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)-2H-chromen-2-one","","CN(C)C1=CC2=CC=CC=C2OC1=O","VCQPHZSXAHONHF-UHFFFAOYSA-N","367928",NA,"PDBC20026","638127","Present"
-"3-(Dimethylamino)propiophenone hydrochloride","","","","","","","","","","","","","","","","","","","","(dimethylamino)propiophenone hydrochloride","","CN(C)CCC(=O)C1=CC=CC=C1.Cl","DKNDBIIKSJWQFL-UHFFFAOYSA-N","92844",NA,"PDBC20027","89","Present"
-"3-(Dimethylamino)propyl (4-hydroxytetrahydro-2H-thiopyran-4-yl)(phenyl)acetate","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)propyl (4-hydroxytetrahydro-2H-thiopyran-4-yl)(phenyl)acetate","","CN(C)CCCOC(=O)C(C1=CC=CC=C1)C2(CCSCC2)O","RYKFIZFIXZWKPO-UHFFFAOYSA-N","380251",NA,"PDBC20028","665730","Present"
-"3-(Dimethylamino)propyl 2-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","3-(Dimethylamino)propyl 2-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-3-phenylpropanoate","","CC1(CC2=C(O1)C(=CC=C2)C(CC3=CC=CC=C3)(C(=O)OCCCN(C)C)O)C","ZFYALDDPNSZUCP-UHFFFAOYSA-N","380215",NA,"PDBC20029","665690","Present"
-"3-(Dimethylamino)propyl benzylcyclopropylglycolate","","","","","","","","","","","","","","","","","","","","LS-58781","","CN(C)CCCOC(=O)C(CC1=CC=CC=C1)(C2CC2)O","RNEJSIWJEVCXHX-UHFFFAOYSA-N","59490",NA,"PDBC20030","665715","Present"
-"3-(Dimethylhydrazono)-5-methyl-1,1,2,2-cyclopentanetetracarbonitrile","","","","","","","","","","","","","","","","","","","","Cyclopentane-1,1-2,2-tetracarbonitrile, 3-methyl- 5-(dim...","","CC1CC(=NN(C)C)C(C1(C#N)C#N)(C#N)C#N","ARQPVZOOZHAUMO-LICLKQGHSA-N","9556242",NA,"PDBC20031","681861","Present"
-"3-(Dimethylhydrazono)-5-phenyl-1,1,2,2-cyclopentanetetracarbonitrile","","","","","","","","","","","","","","","","","","","","STL325606","","CN(C)N=C1CC(C(C1(C#N)C#N)(C#N)C#N)C2=CC=CC=C2","CXUJDDXXXCSOIH-PXLXIMEGSA-N","9571539",NA,"PDBC20032","681858","Present"
-"3-(Dipentylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol","","","","","","","","","","","","","","","","","","","","3-(Dipentylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol","","CCCCCN(CCCCC)CC(C)(C)C(C1=CC=C(C2=CC=CC=C21)OC)O","UKDUPHWVSJDRHH-UHFFFAOYSA-N","223647",NA,"PDBC20033","11420","Present"
-"3-(Diphenoxyphosphinyloxy)-4H-1,4-benzothiazine-4-carboxylic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","Tert-butyl 3-[(diphenoxyphosphoryl)oxy]-4h-1,4-benzothiazine-4-carboxylate","","CC(C)(C)OC(=O)N1C2=CC=CC=C2SC=C1OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4","MOHCIUXPTIHHPL-UHFFFAOYSA-N","402898",NA,"PDBC20034","717215","Present"
-"3-(Diphenoxyphosphinyloxy)-4H-pyrido[3,2-b][1,4]oxazine-4-carboxylic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","Tert-butyl 3-[(diphenoxyphosphoryl)oxy]-4h-pyrido[3,2-b][1,4]oxazine-4-carboxylate","","CC(C)(C)OC(=O)N1C(=COC2=C1N=CC=C2)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4","WOROZGQLALOKOB-UHFFFAOYSA-N","402897",NA,"PDBC20035","717214","Present"
-"3-(Dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea","","","","","","","","","","","","","","","","","","","","2,2'-Dipyridyl-N,N-dimethylsemicarbazone","","CN(C)C(=S)NN=C(C1=CC=CC=N1)C2=CC=CC=N2","XOBIGRNRXCAMJQ-UHFFFAOYSA-N","10334137",NA,"PDBC20036","744381","Present"
-"3-(E)-1-[3-(2-Fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene-2-indolinone","","","","","","","","","","","","","","","","","","","","3-(E)-1-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]me...","","C1=CC=C2C(=C1)C(=CC3=C4C=CC=CN4C(=N3)C5=CC=CC=C5F)C(=O)N2","NPJJOOOJIBYEHP-DTQAZKPQSA-N","53248929",NA,"PDBC20037","751896","Present"
-"3-(E)-Ethoxycarbonylethenyl-4-(thien-2'-yl)-1,2-dihydronapht halene","","","","","","","","","","","","","","","","","","","","3-(E)-Ethoxycarbonylethenyl-4-(thien-2'-yl)-1,2-dihydron...","","CCOC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CC=CS3","URTMJUAMFCFWJD-VAWYXSNFSA-N","24205449",NA,"PDBC20038","735780","Present"
-"3-(Ethoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one","","","","","","","","","","","","","","","","","","","","3-(Ethoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one","","CCOCN1COCN(C1=O)C","SJTZWHUFNGNJSO-UHFFFAOYSA-N","368602",NA,"PDBC20039","639710","Present"
-"3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidine-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","3-(Furan-2-carbonyl)-2-thioxo-imidazolidine-1-carbaldehyde","","C1CN(C(=S)N1C=O)C(=O)C2=CC=CO2","ALSXZBQWUPXOFR-UHFFFAOYSA-N","396752",NA,"PDBC20040","703462","Present"
-"3-(Furan-2-yl)-1-(thiophen-3-yl)-propenone","","","","","","","","","","","","","","","","","","","","3-(Furan-2-yl)-1-(thiophen-3-yl)-propenone","","C1=COC(=C1)C(=O)C=CC2=CSC=C2","LIFFCYCWJGMLAV-ONEGZZNKSA-N","5916979",NA,"PDBC20041","700204","Present"
-"3-(Furo[3,2-c]quinolin-4-ylamino)phenol","","","","","","","","","","","","","","","","","","","","3-(Furo[3,2-c]quinolin-4-ylamino)phenol","","C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC(=CC=C4)O","OEDYUOCSIFQNNH-UHFFFAOYSA-N","24203915",NA,"PDBC20042","730145","Present"
-"3-(Hydroxy(oxido)amino)-2-(4-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)imidazo[1,2-a]pyridine","","","","","","","","","","","","","","","","","","","","3-(Hydroxy(oxido)amino)-2-(4-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)imidazo[1,2-a]pyridine","","CC1=NC(=CN1C2=C(N3C=CC=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","GHZIDXUVPILBFT-UHFFFAOYSA-N","325418",NA,"PDBC20043","294153","Present"
-"3-(Hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxo-N-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-Nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide","","C1=CC2=NC=C(N=C2C=C1[N+](=O)[O-])C(C(=O)C(=O)NC3=NC(=S)NN3)[N+](=O)[O-]","MECXZAIFMUQNSU-UHFFFAOYSA-N","3004320",NA,"PDBC20044","644784","Present"
-"3-(Hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)-2-(methylhydrazono)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(Methylhydrazinylidene)-3-nitro-3-(7-nitroquinoxalin-2-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide","","CNN=C(C(C1=CN=C2C=CC(=CC2=N1)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]","KKNHFQQLPYQEGG-YUMHPJSZSA-N","9571295",NA,"PDBC20045","641443","Present"
-"3-(Hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(2-methoxyphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanamide","","COC1=CC=CC=C1NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","RUTCBXJQCJIAAL-UHFFFAOYSA-N","370957",NA,"PDBC20046","644762","Present"
-"3-(Hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(2-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanamide","","CC1=CC=CC=C1NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","OHHXULRZCAOPGO-UHFFFAOYSA-N","370930",NA,"PDBC20047","644735","Present"
-"3-(Hydroxy(oxido)amino)-N'-(methylsulfonyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","3-(Hydroxy(oxido)amino)-N'-(methylsulfonyl)benzenesulfonohydrazide","","CS(=O)(=O)NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]","WGUWWIMJVZFJBO-UHFFFAOYSA-N","367387",NA,"PDBC20048","637076","Present"
-"3-(Hydroxy(oxido)amino)-N-(2-methylphenyl)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-(Hydroxy(oxido)amino)-N-(2-methylphenyl)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide","","CC1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]","ATJDQFODUOZFLO-UHFFFAOYSA-N","369442",NA,"PDBC20049","641212","Present"
-"3-(Hydroxy(oxido)amino)-N-(6-(hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-Nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)propanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","UNVGZMGBVIZMOB-UHFFFAOYSA-N","369447",NA,"PDBC20050","641217","Present"
-"3-(Hydroxy(oxido)amino)benzaldehyde (1,1-dioxido-3-thienyl)hydrazone","","","","","","","","","","","","","","","","","","","","3-(Hydroxy(oxido)amino)benzaldehyde (1,1-dioxido-3-thienyl)hydrazone","","C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC2=CS(=O)(=O)C=C2","DJZCHZJSHDBQGI-KPKJPENVSA-N","5351921",NA,"PDBC20051","91750","Present"
-"3-(Hydroxyamino)alanine","","","","","","","","","","","","","","","","","","","","3-(Hydroxyamino)alanine","","C(C(C(=O)O)N)NO","VIFOGXGRPDRQHS-UHFFFAOYSA-N","292936",NA,"PDBC20052","159165","Present"
-"3-(Hydroxyimino)-1-phenyl-3-(3-phenylisoxazol-5-yl)propan-1-one","","","","","","","","","","","","","","","","","","","","3-(Hydroxyimino)-1-phenyl-3-(3-phenylisoxazol-5-yl)propan-1-one","","C1=CC=C(C=C1)C2=NOC(=C2)C(=NO)CC(=O)C3=CC=CC=C3","ZANIPGFOHCFXRB-MNDPQUGUSA-N","135436342",NA,"PDBC20053","720433","Present"
-"3-(Hydroxyimino)oxolane-2-one","","","","","","","","","","","","","","","","","","","","NSC10372","","C1COC(=O)C1=NO","ZIUSAIUIKKGDOW-HYXAFXHYSA-N","6915945",NA,"PDBC20054","10372","Present"
-"3-(Hydroxymethyl)-2-pyridinecarbaldehyde O-acetyloxime","","","","","","","","","","","","","","","","","","","","3-(Hydroxymethyl)-2-pyridinecarbaldehyde O-acetyloxime","","CC(=O)ON=CC1=C(C=CC=N1)CO","PYHQSPDGJVOIIP-VZUCSPMQSA-N","9571335",NA,"PDBC20055","644883","Present"
-"3-(Hydroxymethyl)-3-methyl-1-oxaspiro[3.5]nonan-2-one","","","","","","","","","","","","","","","","","","","","3-(Hydroxymethyl)-3-methyl-1-oxaspiro[3.5]nonan-2-one","","CC1(C(=O)OC12CCCCC2)CO","GZOSMJPNRICNJC-UHFFFAOYSA-N","372704",NA,"PDBC20056","648264","Present"
-"3-(Hydroxymethyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate","","","","","","","","","","","","","","","","","","","","3-(Hydroxymethyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate","","CC(=O)OC1CCN2C1=C(N=N2)CO","RMLJQRMKNCLPOD-UHFFFAOYSA-N","362187",NA,"PDBC20057","625778","Present"
-"3-(Hydroxymethyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazole","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-ylmethanol","","C1CC2=C(N=NN2C1)CO","JHVHBOSLWJNDIQ-UHFFFAOYSA-N","360881",NA,"PDBC20058","623587","Present"
-"3-(Hydroxymethyl)-5-(6-(methylthio)-9H-purin-9-yl)-1,4-dioxane-2,6-diol","","","","","","","","","","","","","","","","","","","","p-Dioxane-2-methanol, 3,5-dihydroxy-6-[6-(methylthio)-9H...","","CSC1=NC=NC2=C1N=CN2C3C(OC(C(O3)CO)O)O","PWMJKSRDVJZIRU-UHFFFAOYSA-N","269951",NA,"PDBC20059","111702","Present"
-"3-(Hydroxymethyl)-5-(hydroxymethylsulfanyl)-1,3,4-thiadiazole-2-thione","","","","","","","","","","","","","","","","","","","","3-(Hydroxymethyl)-5-[(hydroxymethyl)sulfanyl]-1,3,4-thiadiazole-2(3h)-thione","","C(N1C(=S)SC(=N1)SCO)O","VSARGXBKGOHAQT-UHFFFAOYSA-N","401642",NA,"PDBC20060","715344","Present"
-"3-(Iodomethyl)-1-(methylsulfonyl)-6-indolinol","","","","","","","","","","","","","","","","","","","","3-(Iodomethyl)-1-(methylsulfonyl)-6-indolinol","","CS(=O)(=O)N1CC(C2=C1C=C(C=C2)O)CI","XIJLTHVJWINIFB-UHFFFAOYSA-N","384838",NA,"PDBC20061","675356","Present"
-"3-(Isonicotinoylhydrazono)-N,N-diisopropylbutanamide","","","","","","","","","","","","","","","","","","","","3-(Isonicotinoylhydrazono)-N,N-diisopropylbutanamide","","CC(C)N(C(C)C)C(=O)CC(=NNC(=O)C1=CC=NC=C1)C","QAQVAYQXTAWVGT-QGOAFFKASA-N","9555851",NA,"PDBC20062","642070","Present"
-"3-(Isopropoxymethyl)-3,6-dihydro-2H-1,3,5-oxadiazin-4-ylcyanamide","","","","","","","","","","","","","","","","","","","","3-(Isopropoxymethyl)-3,6-dihydro-2H-1,3,5-oxadiazin-4-ylcyanamide","","CC(C)OCN1COCN=C1NC#N","KTESWORTEJFIOE-UHFFFAOYSA-N","370385",NA,"PDBC20063","643477","Present"
-"3-(Methoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one","","","","","","","","","","","","","","","","","","","","3-(Methoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one","","CN1COCN(C1=O)COC","MOSWOCYONRPTOY-UHFFFAOYSA-N","368601",NA,"PDBC20064","639709","Present"
-"3-(Methyl-S-glutathionyl)oxindole-diethyl ester","","","","","","","","","","","","","","","","","","","","3-(methyl-S-glutathionyl)oxindole-diethyl ester","","CCOC(=O)CNC(=O)C(CSCC1C2=CC=CC=C2NC1=O)NC(=O)CCC(C(=O)OCC)N.OS(=O)(=O)O","MBVYZSUOWHSFMZ-UHFFFAOYSA-N","403790",NA,"PDBC20065","719280","Present"
-"3-(Methyl-phenyl-hydrazono)-1,3-dihydro-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(Methyl-phenyl-hydrazono)-1,3-dihydro-indol-2-one","","CN(C1=CC=CC=C1)N=C2C3=CC=CC=C3NC2=O","HKGGKNGFKPPLAY-UHFFFAOYSA-N","135403203",NA,"PDBC20066","362664","Present"
-"3-(Methylanilino)-1-phenyl-4-(2-phenylvinyl)-2-azetidinone","","","","","","","","","","","","","","","","","","","","3-(Methylanilino)-1-phenyl-4-(2-phenylvinyl)-2-azetidinone","","CN(C1C(N(C1=O)C2=CC=CC=C2)C=CC3=CC=CC=C3)C4=CC=CC=C4","LDNPWLLXLIEPKG-ISLYRVAYSA-N","5387746",NA,"PDBC20067","626661","Present"
-"3-(Methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diol","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4d]pyrimidine-4,6-diol, 3-(methylsulfonyl)-","","CS(=O)(=O)C1=C2C(=NN1)NC(=O)NC2=O","SXSVIPUOKHLSNU-UHFFFAOYSA-N","135409160",NA,"PDBC20068","661803","Present"
-"3-(Methylthio)-2-((methylthio)methyl)-2-(4-pyridinyl)propyl acetate","","","","","","","","","","","","","","","","","","","","3-(Methylthio)-2-((methylthio)methyl)-2-(4-pyridinyl)propyl acetate","","CC(=O)OCC(CSC)(CSC)C1=CC=NC=C1","SMPSOPQVBDKMKQ-UHFFFAOYSA-N","365731",NA,"PDBC20069","633674","Present"
-"3-(Naphthalen-1-ylcarbamoylsulfanyl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(Naphthalen-1-ylcarbamoylsulfanyl)propanoic acid","","C1=CC=C2C(=C1)C=CC=C2NC(=O)SCCC(=O)O","PQNDZWUBJGAFKV-UHFFFAOYSA-N","359049",NA,"PDBC20070","619426","Present"
-"3-(Naphthalen-1-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-(Naphthalen-1-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)CC2=CC=CC3=CC=CC=C32","SZWOQRXRMVSHAU-UHFFFAOYSA-N","383370",NA,"PDBC20071","671534","Present"
-"3-(Octoxymethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-[(Octyloxy)methyl]-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","CCCCCCCCOCC1S(=O)(=O)OCCOS1(=O)=O","IICDGARHNOFTQY-UHFFFAOYSA-N","383371",NA,"PDBC20072","671535","Present"
-"3-(P-Tolyl)-1'-acrylonaphthone","","","","","","","","","","","","","","","","","","","","3-(P-TOLYL)-1'-ACRYLONAPHTHONE","","CC1=CC=C(C=C1)C=CC(=O)C2=CC=CC3=CC=CC=C32","GMEVIIOICMDAAI-BUHFOSPRSA-N","5387162",NA,"PDBC20073","621373","Present"
-"3-(Phenylcarbamoylsulfanyl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(N-Phenylthiocarbamoyl)-propanoic acid","","C1=CC=C(C=C1)NC(=O)SCCC(=O)O","DCFLRUZDCOFBQW-UHFFFAOYSA-N","363895",NA,"PDBC20074","629282","Present"
-"3-(Phenylsulfonyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-(Phenylsulfonyl)-1,3-dihydro-2H-indol-2-one","","C1=CC=C(C=C1)S(=O)(=O)C2C3=CC=CC=C3NC2=O","RKPDNDGTCPSITA-UHFFFAOYSA-N","394437",NA,"PDBC20075","697913","Present"
-"3-(Phenylthio)-2,3,5,6,7,8,9,10-octahydrocyclopenta[a]cyclononen-4(1H)-one","","","","","","","","","","","","","","","","","","","","3-(Phenylthio)-2,3,5,6,7,8,9,10-octahydrocyclopenta[a]cyclononen-4(1H)-one","","C1CCCC(=O)C2=C(CC1)CCC2SC3=CC=CC=C3","NBRLIHRSXFTTPT-UHFFFAOYSA-N","375495",NA,"PDBC20076","655277","Present"
-"3-(Piperidine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(Piperidin-1-ylcarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","C1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3","ZTSWBUOMLFPBHY-UHFFFAOYSA-N","369530",NA,"PDBC20077","641387","Present"
-"3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid","","C1=CN=C(N=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3","QMDVGAHLIPJCNF-UHFFFAOYSA-N","240640",NA,"PDBC20078","47067","Present"
-"3-(Quinazolin-4-ylamino)propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-(Quinazolin-4-ylamino)propane-1,2-diol","","C1=CC=C2C(=C1)C(=NC=N2)NCC(CO)O","UZWXFNTWGDDBQM-UHFFFAOYSA-N","224591",NA,"PDBC20079","13220","Present"
-"3-(Tert-Butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","","","","","","","","","","","","","","","","","","","","3-(Tert-Butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol","","CC1(C2CCC1(C(C2NC(C)(C)C)O)C)C","VBIQESJEDOKYKY-UHFFFAOYSA-N","395324",NA,"PDBC20080","699806","Present"
-"3-(Tert-butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","3-(Tert-butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol;hydrochloride","","CC(C)(C)NCCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl","DOHISOSZKIPXCS-UHFFFAOYSA-N","24198834",NA,"PDBC20081","305804","Present"
-"3-(Thiatriazol-5-yl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione","","","","","","","","","","","","","","","","","","","","3-(Thiatriazol-5-yl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione","","C1=CNC2=C(C(=O)NN2C1=O)C3=NN=NS3","MZFSQPVONRRWSI-UHFFFAOYSA-N","373162",NA,"PDBC20082","649105","Present"
-"3-(Thien-3-yl)-2,3-dihydro-1H-pyrrolizin-1-one","","","","","","","","","","","","","","","","","","","","3-(Thien-3-yl)-2,3-dihydro-1H-pyrrolizin-1-one","","C1C(N2C=CC=C2C1=O)C3=CSC=C3","SSBCVAVDQFNSEM-UHFFFAOYSA-N","389724",NA,"PDBC20083","686316","Present"
-"3-(Thiiran-2-ylmethyl)-1,3-benzothiazol-2-one","","","","","","","","","","","","","","","","","","","","3-(2,3-epithiopropyl)-benzothiazol-2-one","","C1C(S1)CN2C3=CC=CC=C3SC2=O","DICUZNMOOWBTLR-UHFFFAOYSA-N","374917",NA,"PDBC20084","653502","Present"
-"3-(Trichlorovinyl)-2-quinolone","","","","","","","","","","","","","","","","","","","","3-(Trichlorovinyl)-2-quinolone","","C1=CC=C2C(=C1)C=C(C(=O)N2)C(=C(Cl)Cl)Cl","QKTCNZJUWXGOBW-UHFFFAOYSA-N","358982",NA,"PDBC20085","619189","Present"
-"3-(Trityloxy)-1-propanol","","","","","","","","","","","","","","","","","","","","3-trityloxy-propanol","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCCO","YCTXPSAULMVEOX-UHFFFAOYSA-N","371701",NA,"PDBC20086","646151","Present"
-"3-(Ureidomethylene)-2,4-chromanedione","","","","","","","","","","","","","","","","","","","","7P-503S","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC(=O)N)O","YFYGYSIOKAKUQT-WLRTZDKTSA-N","135409038",NA,"PDBC20087","655963","Present"
-"3-([2,5-Dione","","","","","","","","","","","","","","","","","","","","3-([2,3']Bisindolyl-3-yl)-4-(indol-3-yl)-1-methylpyrrole...","","CN1C(=O)C(=C(C1=O)C2=C(NC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C6=CNC7=CC=CC=C76","FVWIGKJPZXNSTP-UHFFFAOYSA-N","406498",NA,"PDBC20088","724625","Present"
-"3-(beta-D-Ribofuranosyl)-5-aminopyrazolo[4,3-d]pyrimidine-7-thione","","","","","","","","","","","","","","","","","","","","3-(.beta.-D-ribofuranosyl)-5-aminopyrazolo[4,3-d]pyrimid...","","C1=C(NC(=S)C2=NNC(=C21)C3C(C(C(O3)CO)O)O)N","PTHQAQQFLXGMLE-UHFFFAOYSA-N","3732652",NA,"PDBC20089","639647","Present"
-"3-(o-Anisoyl)-4-piperidino-3-cyclobutene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-(o-Anisoyl)-4-piperidino-3-cyclobutene-1,2-dione","","COC1=CC=CC=C1C(=O)C2=C(C(=O)C2=O)N3CCCCC3","ZLVIKBYPXYQQTJ-UHFFFAOYSA-N","389276",NA,"PDBC20090","685029","Present"
-"3-(o-Tolyl)-6-phenyl-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione","","","","","","","","","","","","","","","","","","","","3-(o-Tolyl)-6-phenyl-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione","","CC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4)SC2=O","UKYLOJNRWOAGRZ-UHFFFAOYSA-N","3004156",NA,"PDBC20091","633183","Present"
-"3-(oxo[?]yl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(oxo[?]yl)propanoic acid","","C1=CC=C2C(=C1)C=CC3=C2N4C(=NC(=O)C(=N4)CCC(=O)O)S3","RMRWKVKEKSKGOG-UHFFFAOYSA-N","365001",NA,"PDBC20092","631910","Present"
-"3-(p-Aminophenylthio)-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one","","","","","","","","","","","","","","","","","","","","3-(4-Amino-phenylsulfanyl)-benzo[de]benzo[4,5]imidazo[2,...","","C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C(C=CC3=C54)SC6=CC=C(C=C6)N","JWZBJFTVSGFWQH-UHFFFAOYSA-N","73346215",NA,"PDBC20093","764766","Present"
-"3-(p-Coumaroyl)ursolic acid","","","","","","","","","","","","","","","","","","","","trans-3-O-p-hydroxycinnamoyl ursolic acid","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)C)C2C1C)C)C(=O)O","ZOXDAGKKDOEJBW-YVZDRRNJSA-N","24203733",NA,"PDBC20094","729212","Present"
-"3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride","","","","","","","","","","","","","","","","","","","","WLN: T56 BNYSJ B1MR DQ& CUS &GH","","C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)O.Cl","GFHGXYFPFUPDMZ-UHFFFAOYSA-N","24189323",NA,"PDBC20095","87596","Present"
-"3-(p-Tolyl)-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-(p-Tolyl)-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one","","CC1=CC=C(C=C1)C=NN2C(=NNC2=O)C3=CC=C(C=C3)C","XPHDGBPLNRFWTP-WOJGMQOQSA-N","9556309",NA,"PDBC20096","690624","Present"
-"3-(p-Tolyl)-5-[[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3-(4-Methylphenyl)-5-((3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl)methyl)-1H-1,2,4-triazole","","CC1=CC=C(C=C1)C2=NNC(=N2)CC3=NC(=NN3)C4=CC=C(C=C4)C","XZOKJMHKJYUQIN-UHFFFAOYSA-N","390147",NA,"PDBC20097","687215","Present"
-"3-(p-Tolylcarbamothioylsulfanyl)propanoic acid","","","","","","","","","","","","","","","","","","","","3-[N-(4-Methylphenyldithiocarbamoyl)]-propanoic acid","","CC1=CC=C(C=C1)NC(=S)SCCC(=O)O","JUEVYZYAFOGVTR-UHFFFAOYSA-N","3004114",NA,"PDBC20098","629289","Present"
-"3-(p-Tolylthio)-5-ethoxypyrano[3,2-c]chromen-2(5H)-one","","","","","","","","","","","","","","","","","","","","3-(p-tolylthio)-5-ethoxypyrano[3,2-c]chromen-2(5H)-one","","CCOC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)SC4=CC=C(C=C4)C","MPICXUDZYFVPHX-UHFFFAOYSA-N","24205749",NA,"PDBC20099","736564","Present"
-"3-(p-Tolylthio)-5-hydroxypyrano[3,2-c]chromen-2(5H)-one","","","","","","","","","","","","","","","","","","","","3-(p-tolylthio)-5-hydroxypyrano[3,2-c]chromen-2(5H)-one","","CC1=CC=C(C=C1)SC2=CC3=C(C4=CC=CC=C4OC3O)OC2=O","UPTLKUMTKWRSRL-UHFFFAOYSA-N","24205007",NA,"PDBC20100","733931","Present"
-"3-(tert-Butyldimethylsilyloxymethyl)-3-butene-2-one","","","","","","","","","","","","","","","","","","","","3-(tert-Butyldimethylsilyloxymethyl)-3-butene-2-one","","CC(=O)C(=C)CO[Si](C)(C)C(C)(C)C","AJZPQWIBTBMING-UHFFFAOYSA-N","376774",NA,"PDBC20101","657834","Present"
-"3-3'-(1H-Pyrazole-3,5-diyl)bis(1-methoxy-1-methyl-1H-indole)","","","","","","","","","","","","","","","","","","","","3-3'-(1H-pyrazole-3,5-diyl)bis(1-methoxy-1-methyl-1H-ind...","","CN1C=C(C2=C1C=CC(=C2)OC)C3=CC(=NN3)C4=CN(C5=C4C=C(C=C5)OC)C","YFDGWEHJQQOPNS-UHFFFAOYSA-N","44433921",NA,"PDBC20102","740346","Present"
-"3-3'-(1H-Pyrazole-3,5-diyl)bis(1-methyl-1H-indole)","","","","","","","","","","","","","","","","","","","","3-3'-(1H-pyrazole-3,5-diyl)bis(1-methyl-1H-indole)","","CN1C=C(C2=CC=CC=C21)C3=CC(=NN3)C4=CN(C5=CC=CC=C54)C","YHFOLFSLWCSZMZ-UHFFFAOYSA-N","44433919",NA,"PDBC20103","740345","Present"
-"3-3'-(1H-Pyrazole-3,5-diyl)bis(5-chloro-1-methyl-1H-indole)","","","","","","","","","","","","","","","","","","","","3-3'-(1H-pyrazole-3,5-diyl)bis(5-chloro-1-methyl-1H-indole)","","CN1C=C(C2=C1C=CC(=C2)Cl)C3=CC(=NN3)C4=CN(C5=C4C=C(C=C5)Cl)C","ULHDGHLSWLMACI-UHFFFAOYSA-N","24779697",NA,"PDBC20104","740347","Present"
-"3-Acetoxy-2',4'-dimethoxy-5'-prenylchalcone","","","","","","","","","","","","","","","","","","","","3-Acetoxy-2',4'-dimethoxy-5'-prenylchalcone","","CC(=CCC1=CC(=C(C=C1OC)OC)C(=O)C=CC2=CC(=CC=C2)OC(=O)C)C","AAGSJGOTYGEMQY-ZRDIBKRKSA-N","54613272",NA,"PDBC20105","749210","Present"
-"3-Acetoxymethyl-1-methyl-5-methoxyindole-4,7-dione","","","","","","","","","","","","","","","","","","","","3-acetoxymethyl-1-methyl-5-methoxyindole-4,7-dione","","CC(=O)OCC1=CN(C2=C1C(=O)C(=CC2=O)OC)C","BJYZQIACLHYFPT-UHFFFAOYSA-N","404937",NA,"PDBC20106","721515","Present"
-"3-Acetoxymethyl-2-tribromomethylquinoline","","","","","","","","","","","","","","","","","","","","PNKOPSUYMMDTKJ-UHFFFAOYSA-N","","CC(=O)OCC1=CC2=CC=CC=C2N=C1C(Br)(Br)Br","PNKOPSUYMMDTKJ-UHFFFAOYSA-N","281015",NA,"PDBC20107","133479","Present"
-"3-Acetoxyquinuclidine-borane complex","","","","","","","","","","","","","","","","","","","","3-Acetoxyquinuclidine-borane complex","","B.CC(=O)OC1CN2CCC1CC2","GMHWZXWFAXUVPT-UHFFFAOYSA-N","376771",NA,"PDBC20108","657830","Present"
-"3-Acetyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole","","","","","","","","","","","","","","","","","","","","3-Acetyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole","","CC(=O)N1CCC2=C(CC1)NC3=CC=CC=C23","YURQUERVVOOJLO-UHFFFAOYSA-N","370425",NA,"PDBC20109","643521","Present"
-"3-Acetyl-1-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-one","","","","","","","","","","","","","","","","","","","","3-Acetyl-1-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-one","","CC(=O)N1C(=CN(C1=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C(=C3)OC)OC)OC","JBSHPDXWUOBFSE-UHFFFAOYSA-N","45028257",NA,"PDBC20110","741939","Present"
-"3-Acetyl-1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)imidazol-2-one","","","","","","","","","","","","","","","","","","","","3-Acetyl-1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)imidazol-2-one","","CC(=O)N1C(=CN(C1=O)C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)Cl)Cl","DXBQYKDRYXCUEI-UHFFFAOYSA-N","45028255",NA,"PDBC20111","741937","Present"
-"3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(trimethylazaniumyl)hexopyranoside chloride","","","","","","","","","","","","","","","","","","","","[6-[(3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-trimethylazanium;chloride","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)[N+](C)(C)C)O.[Cl-]","ZFNCGVKUDIVKOY-UHFFFAOYSA-N","24197028",NA,"PDBC20112","245426","Present"
-"3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-(4-methylphenyl)naphtho[2,3-g]indole-6,11-dione","","","","","","","","","","","","","","","","","","","","3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-(4-methylphenyl)naphtho[2,3-g]indole-6,11-dione","","CC1=CC=C(C=C1)N2C(=C(C3(C2(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)O)Cl)C(=O)C)C","XLRFSXXMTIHPOE-UHFFFAOYSA-N","405625",NA,"PDBC20113","722995","Present"
-"3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-phenylnaphtho[2,3-g]indole-6,11-dione","","","","","","","","","","","","","","","","","","","","3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-phenylnaphtho[2,3-g]indole-6,11-dione","","CC1=C(C2(C=C(C3=C(C2(N1C4=CC=CC=C4)O)C(=O)C5=CC=CC=C5C3=O)O)Cl)C(=O)C","SDEXRDSIOLKIPO-UHFFFAOYSA-N","405353",NA,"PDBC20114","722576","Present"
-"3-Acetyl-4-hydroxy-5,6,7,8-tetrahydro-2(1H)-quinolone","","","","","","","","","","","","","","","","","","","","3-Acetyl-2-hydroxy-5,6,7,8-tetrahydroquinolin-4(1H)-one","","CC(=O)C1=C(C2=C(CCCC2)NC1=O)O","FILDTPHSZCHKAV-UHFFFAOYSA-N","54676225",NA,"PDBC20115","623556","Present"
-"3-Acetyl-4-oxo-4H-chromen-7-yl acetate","","","","","","","","","","","","","","","","","","","","3-Acetyl-4-oxo-4H-chromen-7-yl acetate","","CC(=O)C1=COC2=C(C1=O)C=CC(=C2)OC(=O)C","WKGRSGWWNZCRJW-UHFFFAOYSA-N","360500",NA,"PDBC20116","622634","Present"
-"3-Acetyl-6-((2-ethoxyphenyl)diazenyl)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-Acetyl-6-((2-ethoxyphenyl)diazenyl)-2H-chromen-2-one","","CCOC1=CC=CC=C1N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)C","XGYUEUZCLNDELL-UHFFFAOYSA-N","369379",NA,"PDBC20117","641141","Present"
-"3-Acetyl-8-methoxy-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","CBMicro_024922","","CC(=O)C1=CC2=C(C(=CC=C2)OC)OC1=O","YZYLMMBZCXTXLW-UHFFFAOYSA-N","227363",NA,"PDBC20118","18921","Present"
-"3-Acetyl-N',2-diphenyl-1,3-thiazolidine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","3-Acetyl-N',2-diphenyl-1,3-thiazolidine-4-carbohydrazide","","CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NNC3=CC=CC=C3","BLKAUWDHKQFPLR-UHFFFAOYSA-N","381977",NA,"PDBC20119","669297","Present"
-"3-Acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide","","","","","","","","","","","","","","","","","","","","3-Acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide","","CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NC3CCCCC3","GCLYLGCAKWAGTN-UHFFFAOYSA-N","381980",NA,"PDBC20120","669300","Present"
-"3-Acetyl-N-methyl-2-thioxo-1-imidazolidinecarbothioamide","","","","","","","","","","","","","","","","","","","","3-Acetyl-N-methyl-2-thioxo-1-imidazolidinecarbothioamide","","CC(=O)N1CCN(C1=S)C(=S)NC","DSDKEXPYZIMSCM-UHFFFAOYSA-N","3005457",NA,"PDBC20121","704179","Present"
-"3-Acetylbenzo[f][1]benzothiole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-b]thiophene-4,9-dione, 3-acetyl-","","CC(=O)C1=CSC2=C1C(=O)C3=CC=CC=C3C2=O","OGTQKTFODXNYJH-UHFFFAOYSA-N","392894",NA,"PDBC20122","694072","Present"
-"3-Acetylethenyl-4-benzothien-3'-yl-1,2-dihydronaphthalene","","","","","","","","","","","","","","","","","","","","3-Acetylethenyl-4-benzothien-3'-yl-1,2-dihydronaphthalene","","CC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CSC4=CC=CC=C43","BFHFZKOVYUCZCM-ZHACJKMWSA-N","24205627",NA,"PDBC20123","736291","Present"
-"3-Acetylethenyl-4-thienyl-1,2-dihydronaphthaline","","","","","","","","","","","","","","","","","","","","3-Acetylethenyl-4-thienyl-1,2-dihydronaphthaline","","CC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CC=CS3","SJQBISJIYZSYCC-CMDGGOBGSA-N","24205359",NA,"PDBC20124","735310","Present"
-"3-Acridin-9-yl-5-ethylsulfanyl-1,3,4-thiadiazole-2-thione","","","","","","","","","","","","","","","","","","","","3-Acridin-9-yl-5-ethylsulfanyl-1,3,4-thiadiazole-2-thione","","CCSC1=NN(C(=S)S1)C2=C3C=CC=CC3=NC4=CC=CC=C42","WOELHTGKZYFIQW-UHFFFAOYSA-N","390165",NA,"PDBC20125","687310","Present"
-"3-Adenin-9-yl-2-hydroxypropanoic acid","","","","","","","","","","","","","","","","","","","","9H-Purine-9-propanoic acid, 6-amino-alpha-hydroxy-, (RS)","","C1=NC(=C2C(=N1)N(C=N2)CC(C(=O)O)O)N","UHOFECKRSHSYNE-UHFFFAOYSA-N","146832",NA,"PDBC20126","625169","Present"
-"3-Allyl-1-benzyl-3-methyl-2-piperidinone","","","","","","","","","","","","","","","","","","","","3-Allyl-1-benzyl-3-methyl-2-piperidinone","","CC1(CCCN(C1=O)CC2=CC=CC=C2)CC=C","QNFIOOXROPFZMQ-UHFFFAOYSA-N","379189",NA,"PDBC20127","663597","Present"
-"3-Allyl-2,4-quinolinediol","","","","","","","","","","","","","","","","","","","","DA-05904","","C=CCC1=C(C2=CC=CC=C2NC1=O)O","RBJWVYAOEWLLGM-UHFFFAOYSA-N","54680430",NA,"PDBC20128","675806","Present"
-"3-Allyl-2-hydroxybenzaldehyde","","","","","","","","","","","","","","","","","","","","3-Allylsalicylaldehyde","","C=CCC1=C(C(=CC=C1)C=O)O","INLWEXRRMUMHKB-UHFFFAOYSA-N","141062",NA,"PDBC20129","775632","Present"
-"3-Allyl-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one","","","","","","","","","","","","","","","","","","","","3-Allyl-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one","","C=CCC1(C(=O)OC2C1(OCC2O)O)O","KBBIRRJMHPBLJL-UHFFFAOYSA-N","387130",NA,"PDBC20130","680538","Present"
-"3-Allyl-3-allyloxy-3a,6-dihydroxy-tetrahydro-furo[3,2-b]furan-2-one","","","","","","","","","","","","","","","","","","","","3-Allyl-3-allyloxy-3a,6-dihydroxy-tetrahydro-furo[3,2-b]furan-2-one","","C=CCC1(C(=O)OC2C1(OCC2O)O)OCC=C","ZAZBKBQNBWZPKP-UHFFFAOYSA-N","387131",NA,"PDBC20131","680539","Present"
-"3-Allyl-4-(4-nitrophenyl)thiazol-2-imine","","","","","","","","","","","","","","","","","","","","3-Allyl-4-(4-nitrophenyl)thiazol-2-imine","","C=CCN1C(=CSC1=N)C2=CC=C(C=C2)[N+](=O)[O-]","XCCTZRDOSVDXGM-UHFFFAOYSA-N","387332",NA,"PDBC20132","681076","Present"
-"3-Allyl-5-(4-methoxybenzylidene)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","STK968464","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CC=C","BVIPBUYSOPOCSU-XFXZXTDPSA-N","1041244",NA,"PDBC20133","703020","Present"
-"3-Allyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","3-Allyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione","","C=CCN1CN(CSC1=S)C2CCCCC2","KSCVKHUKEGAULY-UHFFFAOYSA-N","399773",NA,"PDBC20134","710868","Present"
-"3-Allyl-7-mercapto-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","","","","","","","","","","","","","","","","","","","3-Allyl-7-mercapto-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","C=CCN1C2=C(C(N=CN2)S)SC1=S","IVARXRNWUSMIOK-UHFFFAOYSA-N","373690",NA,"PDBC20135","650582","Present"
-"3-Amino-1,4-dioxido-N-phenyl-quinoxaline-1,4-diium-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Amino-1,4-dioxido-N-phenyl-quinoxaline-1,4-diium-2-carboxamide","","C1=CC=C(C=C1)NC(=O)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-]","YGGHTARZSGUZMI-UHFFFAOYSA-N","135483915",NA,"PDBC20136","621496","Present"
-"3-Amino-1-(2,5-dimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","3-Amino-1-(2,5-dimethoxyphenyl)azetidin-2-one","","COC1=CC(=C(C=C1)OC)N2CC(C2=O)N","BNJNAIHVFXLFSL-UHFFFAOYSA-N","357702",NA,"PDBC20137","617219","Present"
-"3-Amino-1-(3,4-dimethoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-1-(3,4-dimethoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile","","CC1CCCC2=C1C(=C(OC2C3=CC(=C(C=C3)OC)OC)N)C#N","DHOQBHRVLACOAQ-UHFFFAOYSA-N","391514",NA,"PDBC20138","690762","Present"
-"3-Amino-1-(3,4-dimethoxyphenyl)-8-methyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-1-(3,4-dimethoxyphenyl)-8-methyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile","","CC1CCCC2=C1C(NC(=C2C#N)N)C3=CC(=C(C=C3)OC)OC","GUWTUEWWTLWBKU-UHFFFAOYSA-N","391512",NA,"PDBC20139","690760","Present"
-"3-Amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","","CC1CCCC2=C1C(=C(N=C2C3=CC=C(C=C3)Cl)N)C#N","YMXJDOJEEXWEKV-UHFFFAOYSA-N","391516",NA,"PDBC20140","690764","Present"
-"3-Amino-1-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-1-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile","","CC1CCCC2=C(C(=NC(=C12)C3=CC=C(C=C3)Cl)N)C#N","IMBYBCKNZJANRE-UHFFFAOYSA-N","391515",NA,"PDBC20141","690763","Present"
-"3-Amino-1-hydroxy-propane-1,1-bisphosphonate (sodium salt)","","","","","","","","","","","","","","","","","","","","3-amino-1-hydroxy-propane-1,1-bisphosphonate (sodium salt)","","C(CN)C(O)(P(=O)(O)O)P(=O)(O)O.[Na+]","AFICAMMULQSNNG-UHFFFAOYSA-N","10236235",NA,"PDBC20142","722600","Present"
-"3-Amino-1-methyl-2,6-diphenylpiperidin-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","3-Amino-1-methyl-2,6-diphenylpiperidin-4-one;hydrochloride","","CN1C(CC(=O)C(C1C2=CC=CC=C2)N)C3=CC=CC=C3.Cl","FOWNGOWANBWDCB-UHFFFAOYSA-N","54611065",NA,"PDBC20143","360220","Present"
-"3-Amino-10H-acridine-9-thione","","","","","","","","","","","","","","","","","","","","3-amino-9(10h)-thioacridone","","C1=CC=C2C(=C1)C(=S)C3=C(N2)C=C(C=C3)N","LHMSGVQQFOFVAP-UHFFFAOYSA-N","3620127",NA,"PDBC20144","680434","Present"
-"3-Amino-2,8-dichloro-5H-phenanthridin-6-one","","","","","","","","","","","","","","","","","","","","3-Amino-2,8-dichlorophenanthridin-6(5h)-one","","C1=CC2=C(C=C1Cl)C(=O)NC3=CC(=C(C=C23)Cl)N","HMNIKNJZNATMSI-UHFFFAOYSA-N","278044",NA,"PDBC20145","127140","Present"
-"3-Amino-2-(1,3-benzothiazol-2-yl)-4-(1-naphthyl)-7-nitro-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-2-(1,3-benzothiazol-2-yl)-4-(1-naphthyl)-7-nitro-isoquinolin-1-one","","C1=CC=C2C(=C1)C=CC=C2C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=NC6=CC=CC=C6S5)N","BHCBUFMRZPERKN-UHFFFAOYSA-N","393003",NA,"PDBC20146","694255","Present"
-"3-Amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one","","COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N","TVBATBXJNMITFV-UHFFFAOYSA-N","393002",NA,"PDBC20147","694254","Present"
-"3-Amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile","","C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N)N","TVUIZKJHEDAOQC-UHFFFAOYSA-N","393005",NA,"PDBC20148","694257","Present"
-"3-Amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-isoquinoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-isoquinoline-4-carboxylic acid","","C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C(=O)O)N","LIMPGNHPOWHOHY-UHFFFAOYSA-N","393031",NA,"PDBC20149","694275","Present"
-"3-Amino-2-(2-chlorophenyl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","AH-034/07382016","","C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3Cl)N","DFQNEVQVEIIPDN-UHFFFAOYSA-N","363479",NA,"PDBC20150","628403","Present"
-"3-Amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one","","CN1C2=CC=CC=C2N=C1C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC(=CC(=C5)OC)OC)N","TWQFVWAXIUGJAB-UHFFFAOYSA-N","391663",NA,"PDBC20151","691205","Present"
-"3-Amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one","","COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC(=CC(=C4)OC)OC)N","JRUNGKHANWHDCH-UHFFFAOYSA-N","392508",NA,"PDBC20152","693025","Present"
-"3-Amino-2-(3,5-dimethoxyphenyl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-2-(3,5-dimethoxyphenyl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile","","COC1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N)OC","AHYHDQBLPQHRNR-UHFFFAOYSA-N","391665",NA,"PDBC20153","691207","Present"
-"3-Amino-2-(3-amino-4-oxo-quinazolin-2-yl)sulfanyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","4(3H)-Quinazolinone, 2,2'-thiobis[3-amino-","","C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=NC4=CC=CC=C4C(=O)N3N)N","KYPLKQLLJQEVNV-UHFFFAOYSA-N","396306",NA,"PDBC20154","702030","Present"
-"3-Amino-2-(3-chlorophenyl)quinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","STL481293","","C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)Cl)N","XVICHDPWQXYHQJ-UHFFFAOYSA-N","363480",NA,"PDBC20155","628404","Present"
-"3-Amino-2-(3-methoxyphenyl)-7-nitro-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-2-(3-methoxyphenyl)-7-nitro-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]isoquinolin-1-one","","COC1=CC=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=C(S4)C=CC(=C5)C(F)(F)F)N","STLGOJJJAACMCT-UHFFFAOYSA-N","395232",NA,"PDBC20156","699707","Present"
-"3-Amino-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile","","COC1=CC(=NC(=N1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N)OC","WVODFXFFMSUIFX-UHFFFAOYSA-N","392503",NA,"PDBC20157","693020","Present"
-"3-Amino-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxo-isoquinoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Amino-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxo-isoquinoline-4-carboxylic acid","","COC1=CC(=NC(=N1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O)N)OC","UOVSYAXFRSURSV-UHFFFAOYSA-N","393030",NA,"PDBC20158","694274","Present"
-"3-Amino-2-(4-methoxyphenyl)inden-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-2-(4-methoxyphenyl)inden-1-one","","COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)N","GRRVQHAWHJWKLV-UHFFFAOYSA-N","389549",NA,"PDBC20159","685854","Present"
-"3-Amino-2-(4-methylanilino)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Amino-2-[(4-methylphenyl)amino]quinazolin-4(3h)-one","","CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=O)N2N","RRZYJEAUFMPEIK-UHFFFAOYSA-N","402159",NA,"PDBC20160","716022","Present"
-"3-Amino-2-(benzyloxycarbonylamino)propanoic acid","","","","","","","","","","","","","","","","","","","","AK-34828","","C1=CC=C(C=C1)COC(=O)NC(CN)C(=O)O","FOXRXVSTFGNURG-UHFFFAOYSA-N","369330",NA,"PDBC20161","641084","Present"
-"3-Amino-2-[(4-methylphenyl)sulfonylamino]propanoic acid","","","","","","","","","","","","","","","","","","","","NSC85420","","CC1=CC=C(C=C1)S(=O)(=O)NC(CN)C(=O)O","NOFBBVASBDIESZ-UHFFFAOYSA-N","319322",NA,"PDBC20162","85420","Present"
-"3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carbonitrile","","COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N","DIFCRXZPRJSBTM-UHFFFAOYSA-N","391664",NA,"PDBC20163","691206","Present"
-"3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carboxylic acid","","COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O)N","IQGLIWMOIDKRRF-UHFFFAOYSA-N","393032",NA,"PDBC20164","694276","Present"
-"3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one","","COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N","GOBFVUPFALHYGS-UHFFFAOYSA-N","391660",NA,"PDBC20165","691202","Present"
-"3-Amino-2-benzoylcarbamylmethylenethio-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanyl-N-benzyl-acetamide","","C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2N","ANCBOQLFQSNTLY-UHFFFAOYSA-N","395165",NA,"PDBC20166","699465","Present"
-"3-Amino-2-cyano-3-(4-methyl-1-piperazinyl)-N-phenylacrylamide","","","","","","","","","","","","","","","","","","","","3-Amino-2-cyano-3-(4-methyl-1-piperazinyl)-N-phenylacrylamide","","CN1CCN(CC1)C(=C(C#N)C(=O)NC2=CC=CC=C2)N","NMXZDSGVCJBORS-BUHFOSPRSA-N","3005443",NA,"PDBC20167","700469","Present"
-"3-Amino-2-cyano-3-(4-morpholinyl)-N-phenylacrylamide","","","","","","","","","","","","","","","","","","","","3-Amino-2-cyano-3-(4-morpholinyl)-N-phenylacrylamide","","C1COCCN1C(=C(C#N)C(=O)NC2=CC=CC=C2)N","WIBGSLJNGVONLA-OUKQBFOZSA-N","3005442",NA,"PDBC20168","700468","Present"
-"3-Amino-2-cyano-N-methyl-3-(1-pyrrolidinyl)-2-propenethioamide","","","","","","","","","","","","","","","","","","","","3-Amino-2-cyano-N-methyl-3-(1-pyrrolidinyl)-2-propenethioamide","","CNC(=S)C(=C(N)N1CCCC1)C#N","YAETUUWVMFXBHB-BQYQJAHWSA-N","3005130",NA,"PDBC20169","675876","Present"
-"3-Amino-2-cyano-N-methyl-3-(1-pyrrolidinyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-Amino-2-cyano-N-methyl-3-(1-pyrrolidinyl)acrylamide","","CNC(=O)C(=C(N)N1CCCC1)C#N","FFPZWCYSGHSFMM-BQYQJAHWSA-N","3005129",NA,"PDBC20170","675875","Present"
-"3-Amino-2-cyano-N-phenyl-3-(1-piperidinyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-Amino-2-cyano-N-phenyl-3-(1-piperidinyl)acrylamide","","C1CCN(CC1)C(=C(C#N)C(=O)NC2=CC=CC=C2)N","KPOLMFRXCXJTPA-BUHFOSPRSA-N","3005441",NA,"PDBC20171","700467","Present"
-"3-Amino-2-cyano-N-phenyl-3-(1-pyrrolidinyl)-2-propenethioamide","","","","","","","","","","","","","","","","","","","","3-Amino-2-cyano-N-phenyl-3-(1-pyrrolidinyl)-2-propenethioamide","","C1CCN(C1)C(=C(C#N)C(=S)NC2=CC=CC=C2)N","FSXOUOJSDVWMMS-OUKQBFOZSA-N","3005133",NA,"PDBC20172","675879","Present"
-"3-Amino-2-cyano-N-phenyl-3-(1-pyrrolidinyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-Amino-2-cyano-N-phenyl-3-(1-pyrrolidinyl)acrylamide","","C1CCN(C1)C(=C(C#N)C(=O)NC2=CC=CC=C2)N","BPQAXTCWIFZQIB-OUKQBFOZSA-N","3005132",NA,"PDBC20173","675878","Present"
-"3-Amino-3-(2-mercaptophenyl)-1,1-diphenyl-1-propanol","","","","","","","","","","","","","","","","","","","","3-amino-1,1-diphenyl-3-(2-sulfanylphenyl)propan-1-ol","","C1=CC=C(C=C1)C(CC(C2=CC=CC=C2S)N)(C3=CC=CC=C3)O","ZLBXUJKEJGQLHH-UHFFFAOYSA-N","380383",NA,"PDBC20174","665898","Present"
-"3-Amino-3-(2H-tetrazol-5-yl)propanamide","","","","","","","","","","","","","","","","","","","","J3.545.232J","","C(C(C1=NNN=N1)N)C(=O)N","RCWCQXFCPUFXTO-UHFFFAOYSA-N","297240",NA,"PDBC20175","168191","Present"
-"3-Amino-3-oxopropyl 2-iminocyclopentanecarbodithioate","","","","","","","","","","","","","","","","","","","","3-Amino-3-oxopropyl 2-iminocyclopentanecarbodithioate","","C1CC(C(=N)C1)C(=S)SCCC(=O)N","WMCNHHLCIWNSMC-UHFFFAOYSA-N","327579",NA,"PDBC20176","303288","Present"
-"3-Amino-4,5-dihydroxyhexanal;hydrochloride","","","","","","","","","","","","","","","","","","","","DAUNOSAMINE","","CC(C(C(CC=O)N)O)O.Cl","FHYCNFQONIRRCV-UHFFFAOYSA-N","54600176",NA,"PDBC20177","110344","Present"
-"3-Amino-4-((1-(((tert-butylamino)carbonyl)amino)ethyl)amino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","3-Amino-4-((1-(((tert-butylamino)carbonyl)amino)ethyl)amino)-4-oxobutanoic acid","","CC(NC(=O)C(CC(=O)O)N)NC(=O)NC(C)(C)C","WAIDFOAREZIVFS-UHFFFAOYSA-N","382299",NA,"PDBC20178","669761","Present"
-"3-Amino-4-((1-((4-morpholinylcarbonyl)amino)ethyl)amino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","3-Amino-4-((1-((4-morpholinylcarbonyl)amino)ethyl)amino)-4-oxobutanoic acid","","CC(NC(=O)C(CC(=O)O)N)NC(=O)N1CCOCC1","ACAWVSKXZGZWCJ-UHFFFAOYSA-N","382301",NA,"PDBC20179","669763","Present"
-"3-Amino-4-((1-((cyclobutylcarbonyl)amino)ethyl)amino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","3-Amino-4-((1-((cyclobutylcarbonyl)amino)ethyl)amino)-4-oxobutanoic acid","","CC(NC(=O)C1CCC1)NC(=O)C(CC(=O)O)N","VUHVGIUNTZKDFX-UHFFFAOYSA-N","382298",NA,"PDBC20180","669760","Present"
-"3-Amino-4-((1-(methoxycarbonyl)-2,3-dimethylcyclopropyl)amino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","3-Amino-4-((1-(methoxycarbonyl)-2,3-dimethylcyclopropyl)amino)-4-oxobutanoic acid","","CC1C(C1(C(=O)OC)NC(=O)C(CC(=O)O)N)C","TYYAGDQUOFWSCB-UHFFFAOYSA-N","382351",NA,"PDBC20181","669820","Present"
-"3-Amino-4-((1-benzyl-2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","3-Amino-4-((1-benzyl-2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid","","CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N","LIHWOYDKVVINNO-UHFFFAOYSA-N","381430",NA,"PDBC20182","668018","Present"
-"3-Amino-4-((2,2-dimethyl-3,7,14-trioxo-1,4,8-triazacyclotetradecan-13-yl)amino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","3-Amino-4-((2,2-dimethyl-3,7,14-trioxo-1,4,8-triazacyclotetradecan-13-yl)amino)-4-oxobutanoic acid","","CC1(C(=O)NCCC(=O)NCCCCC(C(=O)N1)NC(=O)C(CC(=O)O)N)C","FWWXDMMSYCNSEN-UHFFFAOYSA-N","382289",NA,"PDBC20183","669751","Present"
-"3-Amino-4-((5-(methoxycarbonyl)-2,7-dioxo-1,6-diazacyclododecan-8-yl)amino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","3-Amino-4-((5-(methoxycarbonyl)-2,7-dioxo-1,6-diazacyclododecan-8-yl)amino)-4-oxobutanoic acid","","COC(=O)C1CCC(=O)NCCCCC(C(=O)N1)NC(=O)C(CC(=O)O)N","ZOXJWMJCRUPUQY-UHFFFAOYSA-N","382292",NA,"PDBC20184","669754","Present"
-"3-Amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one","","COC1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N)OC","XYXCBJUMSZFXAA-UHFFFAOYSA-N","391657",NA,"PDBC20185","691199","Present"
-"3-Amino-4-(1-benzyl-2-methoxy-2-oxoethoxy)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","3-Amino-4-(1-benzyl-2-methoxy-2-oxoethoxy)-4-oxobutanoic acid","","COC(=O)C(CC1=CC=CC=C1)OC(=O)C(CC(=O)O)N","ATWMBLLZZHMUQX-UHFFFAOYSA-N","381460",NA,"PDBC20186","668047","Present"
-"3-Amino-4-(3,5-dichlorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","2H-Isoquinoxalin-1-one, 3-amino-4-(3,5-dichlorophenyl)- ...","","COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC(=CC(=C4)Cl)Cl)N","OVJCLVWMKFHIHM-UHFFFAOYSA-N","391661",NA,"PDBC20187","691203","Present"
-"3-Amino-4-(4-bromophenyl)-N-cyano-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboximidamide","","","","","","","","","","","","","","","","","","","","3-Amino-4-(4-bromophenyl)-N-cyano-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboximidamide","","C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C(=NC#N)N)N)C4=CC=C(C=C4)Br","HZZUVYBZKGVJCZ-UHFFFAOYSA-N","392984",NA,"PDBC20188","694226","Present"
-"3-Amino-4-chloro-2-(4-methoxyphenyl)inden-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-4-chloro-2-(4-methoxyphenyl)inden-1-one","","COC1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC=C3Cl)N","CRBQWDWMELQVCD-UHFFFAOYSA-N","389551",NA,"PDBC20189","685856","Present"
-"3-Amino-4-hydroxyphenylarsonic acid","","","","","","","","","","","","","","","","","","","","wln: zr bq e-as-qqo","","C1=CC(=C(C=C1[As](=O)(O)O)N)O","UAKCHCFOPKOOLI-UHFFFAOYSA-N","16555",NA,"PDBC20190","18814","Present"
-"3-Amino-4-methoxy-2-(4-methoxyphenyl)inden-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-4-methoxy-2-(4-methoxyphenyl)inden-1-one","","COC1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC=C3OC)N","HIULNSHCVWARPP-UHFFFAOYSA-N","389553",NA,"PDBC20191","685858","Present"
-"3-Amino-4-oxo-4-((1-((1-pyrrolidinylcarbonyl)amino)ethyl)amino)butanoic acid","","","","","","","","","","","","","","","","","","","","3-Amino-4-oxo-4-((1-((1-pyrrolidinylcarbonyl)amino)ethyl)amino)butanoic acid","","CC(NC(=O)C(CC(=O)O)N)NC(=O)N1CCCC1","LDYORJMMAKOHET-UHFFFAOYSA-N","382300",NA,"PDBC20192","669762","Present"
-"3-Amino-4-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-4-phenyl-5,6,7,8-tetrahydro-thieno/2,3-b/- chino...","","C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C#N)N)C4=CC=CC=C4","AOSULRYHYNEFMD-UHFFFAOYSA-N","364176",NA,"PDBC20193","629876","Present"
-"3-Amino-4-{(E)-[4-(1H-benzimidazol-2-yl)phenyl]diazenyl}phen ol","","","","","","","","","","","","","","","","","","","","3-Amino-4-{(E)-[4-(1H-benzimidazol-2-yl)phenyl]diazenyl}...","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NC4=C(C=C(C=C4)O)N","WKWFCUGTSWDBLA-UHFFFAOYSA-N","135585466",NA,"PDBC20194","729833","Present"
-"3-Amino-5,6-dimethoxyindan-1-one hydrochloride","","","","","","","","","","","","","","","","","","","","EiM17-04066","","COC1=C(C=C2C(=O)CC(C2=C1)N)OC.Cl","FIQTUIHMHYURGX-UHFFFAOYSA-N","390204",NA,"PDBC20195","687362","Present"
-"3-Amino-5-(1-hydroxyethyl)-6-methyl-N-naphthalen-1-ylthieno[2,3-b]pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-5-(1-hydroxyethyl)-6-methyl-N-(naphthalen-1-yl)t...","","CC1=C(C=C2C(=C(SC2=N1)C(=O)NC3=CC=CC4=CC=CC=C43)N)C(C)O","HJIVXEPWICGVQX-UHFFFAOYSA-N","155817181",NA,"PDBC20196","796020","Present"
-"3-Amino-5-[(Z)-1-cyano-2-(3,4-dihydroxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-5-[(Z)-1-cyano-2-(3,4-dihydroxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile","","C1=CC=C(C=C1)N2C(=C(C(=N2)N)C#N)C(=CC3=CC(=C(C=C3)O)O)C#N","BAEMHYCNOSHCIL-MDWZMJQESA-N","135499353",NA,"PDBC20197","654710","Present"
-"3-Amino-5-hydroxy-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-5-hydroxy-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro...","","COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC4=C(CCCC4O)N=C3S2)N","LANUSCYLTYLKDE-UHFFFAOYSA-N","155809666",NA,"PDBC20198","771538","Present"
-"3-Amino-5-hydroxy-N-(3-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-5-hydroxy-N-(3-nitrophenyl)-5,6,7,8-tetrahydroth...","","C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])N)O","DTQJTJUYFHDKIG-UHFFFAOYSA-N","155809691",NA,"PDBC20199","772488","Present"
-"3-Amino-5-hydroxy-N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-5-hydroxy-N-(3-(trifluoromethyl)phenyl)-5,6,7,8-...","","C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)N)O","ZAHZOLUOYBPQNZ-UHFFFAOYSA-N","155816145",NA,"PDBC20200","772489","Present"
-"3-Amino-5-hydroxy-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-5-hydroxy-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-...","","C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC=CC=C4)N)O","QEJZRMIQWUHIHH-UHFFFAOYSA-N","155805194",NA,"PDBC20201","771536","Present"
-"3-Amino-5-methoxy-2-(2-methoxyphenyl)inden-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-5-methoxy-2-(2-methoxyphenyl)inden-1-one","","COC1=CC2=C(C=C1)C(=O)C(=C2N)C3=CC=CC=C3OC","ZIYQVSVUBYMUKW-UHFFFAOYSA-N","389554",NA,"PDBC20202","685859","Present"
-"3-Amino-5-methoxy-2-(4-methoxyphenyl)inden-1-one","","","","","","","","","","","","","","","","","","","","SSXNAVNUUDFWTL-UHFFFAOYSA-N","","COC1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)OC)N","SSXNAVNUUDFWTL-UHFFFAOYSA-N","389548",NA,"PDBC20203","685853","Present"
-"3-Amino-5-methoxy-2-phenyl-1H-inden-1-one","","","","","","","","","","","","","","","","","","","","3-Amino-5-methoxy-2-phenyl-1H-inden-1-one","","COC1=CC2=C(C=C1)C(=O)C(=C2N)C3=CC=CC=C3","BFQAOGRMEXZIBH-UHFFFAOYSA-N","389550",NA,"PDBC20204","685855","Present"
-"3-Amino-5-methoxyindan-1-one hydrochloride","","","","","","","","","","","","","","","","","","","","ZX-AT013530","","COC1=CC2=C(C=C1)C(=O)CC2N.Cl","NLVNWEQSTNQMES-UHFFFAOYSA-N","390200",NA,"PDBC20205","687360","Present"
-"3-Amino-5-methyl-1H-pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","NE16004","","CC1=C(C(=NN1)N)C(=O)N","KUFZNKPEPZZPRQ-UHFFFAOYSA-N","358965",NA,"PDBC20206","619158","Present"
-"3-Amino-5-methyl-2-cyclopentene-1,1,2-tricarbonitrile","","","","","","","","","","","","","","","","","","","","NSRZKCWTDDZJCU-UHFFFAOYSA-N","","CC1CC(=C(C1(C#N)C#N)C#N)N","NSRZKCWTDDZJCU-UHFFFAOYSA-N","387752",NA,"PDBC20207","681781","Present"
-"3-Amino-5-oxo-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-5-oxo-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]qu...","","C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=C4)N)C(=O)C1","MCEWLOUNHWLKKQ-UHFFFAOYSA-N","3334329",NA,"PDBC20208","754670","Present"
-"3-Amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-5-oxo-N-(pyridin-2-yl)-5,6,7,8-tetrahydrothieno[...","","C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=N4)N)C(=O)C1","KBAJDJHKIOBAHC-UHFFFAOYSA-N","155813416",NA,"PDBC20209","796026","Present"
-"3-Amino-5-{5-[4-(benzo[d]oxazol-2-yl)phenyl]furan-2-yl}-4,5-dihydro-1H-pyrazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-5-{5-[4-(benzo[d]oxazol-2-yl)phenyl]furan-2-yl}-...","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(O4)C5C(C(=NN5)N)C#N","YYAUCBMWLFUFCC-UHFFFAOYSA-N","24203859",NA,"PDBC20210","729801","Present"
-"3-Amino-6,7-dimethyl-1H-pyrazolo[3,4-b]quinoxaline","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-1H-pyrazolo[3,4-b]quinoxalin-3-amine","","CC1=CC2=NC3=C(NN=C3N=C2C=C1C)N","BMQPRCMBRYZQBH-UHFFFAOYSA-N","439016",NA,"PDBC20211","697713","Present"
-"3-Amino-6,8-dibromo-2-(2-chloroethyl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Amino-6,8-dibromo-2-(2-chloroethyl)quinazolin-4(3H)-one","","C1=C(C=C(C2=C1C(=O)N(C(=N2)CCCl)N)Br)Br","CGGYRJKBRGHUEX-UHFFFAOYSA-N","369098",NA,"PDBC20212","640655","Present"
-"3-Amino-6-(3-Chloropropyl)-5,9-methylenedioxy-5, 11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride salt","","","","","","","","","","","","","","","","","","","","3-Amino-6-(3-Chloropropyl)-5,6-dihydro-8,9-methylenediox...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)N)C(=O)N4CCCCl.Cl","OQSWATNASGVYPS-UHFFFAOYSA-N","45027877",NA,"PDBC20213","730453","Present"
-"3-Amino-6-(3-azidopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","3-Amino-6-(3-azidopropyl)-5,6-dihydro-9-methoxy-5,11-dio...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)N)C(=O)N3CCCN=[N+]=[N-]","VCWAKEUZXYMMLL-UHFFFAOYSA-N","45028369",NA,"PDBC20214","742345","Present"
-"3-Amino-6-(3-chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","3-Amino-6-(3-chloropropyl)-5,6-dihydro-9-methoxy-5,11-di...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)N)C(=O)N3CCCCl","ULOUSILASNUWAJ-UHFFFAOYSA-N","45028325",NA,"PDBC20215","742222","Present"
-"3-Amino-6-(4-methoxyphenyl)-1H-pyrano[4,3-c]pyrazol-4-one","","","","","","","","","","","","","","","","","","","","3-Amino-6-(4-methoxyphenyl)-1H-pyrano[4,3-c]pyrazol-4-one","","COC1=CC=C(C=C1)C2=CC3=C(C(=NN3)N)C(=O)O2","SJXMDWZRFYWIAD-UHFFFAOYSA-N","360620",NA,"PDBC20216","622925","Present"
-"3-Amino-6-benzyl-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-6-benzyl-N-mesityl-5,6,7,8-tetrahydrothieno[2,3-...","","CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N)C","DWFYCGQYBTWPIY-UHFFFAOYSA-N","20866560",NA,"PDBC20217","777082","Present"
-"3-Amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrot...","","COC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N","PMAJJWRGHROGIS-UHFFFAOYSA-N","20866562",NA,"PDBC20218","777084","Present"
-"3-Amino-6-benzyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-6-benzyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b...","","C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=CC=CC=C4)CC5=CC=CC=C5","OPZZLGCMFRQZFT-UHFFFAOYSA-N","16008955",NA,"PDBC20219","777081","Present"
-"3-Amino-6-bromo-2-phenylquinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","AX8285269","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2N","CMTNMFFMRLGVCZ-UHFFFAOYSA-N","363481",NA,"PDBC20220","628405","Present"
-"3-Amino-6-chloro-1-(2-diethylamino-ethyl)-1H-pyrazolo[3,4-b]quinoxaline","","","","","","","","","","","","","","","","","","","","3-Amino-6-chloro-1-(2-diethylamino-ethyl)-1H-pyrazolo[3,4-b]quinoxaline","","CCN(CC)CCN1C2=NC3=C(C=C(C=C3)Cl)N=C2C(=N1)N","DVFBARQYSUHULQ-UHFFFAOYSA-N","394341",NA,"PDBC20221","697710","Present"
-"3-Amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothi...","","CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4F)N","INENRHICQOWBEB-UHFFFAOYSA-N","3418824",NA,"PDBC20222","775446","Present"
-"3-Amino-6-ethyl-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-6-ethyl-N-(2-methylphenyl)-5,6,7,8-tetrahydrothi...","","CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4C)N","VEVMVTMLUHCHNL-UHFFFAOYSA-N","3839343",NA,"PDBC20223","775443","Present"
-"3-Amino-6-ethyl-N-(3-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-6-ethyl-N-(3-fluorophenyl)-5,6,7,8-tetrahydrothi...","","CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC(=CC=C4)F)N","LHGDXCUEBWDEAR-UHFFFAOYSA-N","3643905",NA,"PDBC20224","775444","Present"
-"3-Amino-6-methyl-1H-pyrazolo[3,4-b]quinoxaline","","","","","","","","","","","","","","","","","","","","6-Methyl-1H-pyrazolo[3,4-b]quinoxalin-3-amine","","CC1=CC2=NC3=C(NN=C3N=C2C=C1)N","HNLVMVSIOAEGCM-UHFFFAOYSA-N","395809",NA,"PDBC20225","700697","Present"
-"3-Amino-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydrothieno[...","","CN1CCC2=C(C1)C(=C3C(=C(SC3=N2)C(=O)N)N)C4=CC=CS4","NDFHQKZWHBNNLB-UHFFFAOYSA-N","912945",NA,"PDBC20226","757955","Present"
-"3-Amino-7-(2-oxo-4-phenyl-but-3-enyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one","","","","","","","","","","","","","","","","","","","","3-Amino-7-(2-oxo-4-phenyl-but-3-enyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one","","C1=CC=C(C=C1)C=CC(=O)CC2=NC3=NN=C(N3NC2=O)N","FMTNOBRBVLZPLD-VOTSOKGWSA-N","6150565",NA,"PDBC20227","636814","Present"
-"3-Amino-7-(dimethylamino)-5-phenylphenazinium chloride","","","","","","","","","","","","","","","","","","","","NSC9404///NSC9594","","CN(C)C1=CC2=[N+](C3=C(C=CC(=C3)N)N=C2C=C1)C4=CC=CC=C4.[Cl-]","SQHWUYVHKRVCMD-UHFFFAOYSA-N","75442",NA,"PDBC20228","9404///9594","Present"
-"3-Amino-7-chloro-1,2,4-benzotriazine","","","","","","","","","","","","","","","","","","","","AK-38589","","C1=CC2=C(C=C1Cl)N=NC(=N2)N","KTIMFFFWQOYBMI-UHFFFAOYSA-N","95001",NA,"PDBC20229","13204","Present"
-"3-Amino-7-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Amino-7-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide","","CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C(=O)N)N)[O-]","WZMNIKGLUSBFFK-UHFFFAOYSA-N","135483420",NA,"PDBC20230","621732","Present"
-"3-Amino-7-fluoro-1,4-dioxy-quinoxaline-carboximidic acid methyl ester","","","","","","","","","","","","","","","","","","","","3-amino-7-fluoro-1,4-dioxy-quinoxaline-carboximidic acid...","","COC(=N)C1=[N+](C2=C(C=CC(=C2)F)[N+](=C1N)[O-])[O-]","LWARFBQIQPMWLS-UHFFFAOYSA-N","135958391",NA,"PDBC20231","741435","Present"
-"3-Amino-7-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Amino-7-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C(=O)N)N)[O-]","VXEFTPKXADMTCX-UHFFFAOYSA-N","135416164",NA,"PDBC20232","621737","Present"
-"3-Amino-7-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","3-Amino-7-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride","","COC1=CC2=C(CC(CC2=O)N)C=C1.Cl","VEEABGAKHFEFAZ-UHFFFAOYSA-N","356130",NA,"PDBC20233","611222","Present"
-"3-Amino-8,9-dihydro-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","11-Amino-5-thia-2,7,13-triazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-8-one","","C1CSC2=NC(=O)C3=C(N21)N=CC(=C3)N","WJLRRHKYOBHSGV-UHFFFAOYSA-N","389371",NA,"PDBC20234","685417","Present"
-"3-Amino-8-methyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-8-methyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile","","CC1CCCC2=C1C(OC(=C2C#N)N)C3=CC(=C(C(=C3)OC)OC)OC","SUVJNRIDMSOZQY-UHFFFAOYSA-N","391510",NA,"PDBC20235","690758","Present"
-"3-Amino-N-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydrot...","","C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=C(C(=CC=C4)Cl)Cl)N)C(=O)C1","UNNJYEOXRMZAJU-UHFFFAOYSA-N","4905445",NA,"PDBC20236","772496","Present"
-"3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-E]pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta...","","CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCC4=C3)N)C","FGFIVSXFFWDIPQ-UHFFFAOYSA-N","612420",NA,"PDBC20237","775440","Present"
-"3-Amino-N-(2,6-difluorophenyl)-1H-indazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(2,6-difluorophenyl)-1H-indazole-1-carboxamide","","C1=CC=C2C(=C1)C(=NN2C(=O)NC3=C(C=CC=C3F)F)N","CWARILVGRFFNPY-UHFFFAOYSA-N","25197650",NA,"PDBC20238","742802","Present"
-"3-Amino-N-(2-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(2-chlorophenyl)-5,6,7,8,9,10-hexahydrocyclooc...","","C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=C4Cl)N","LOCUPUCGSDKJSM-UHFFFAOYSA-N","1025279",NA,"PDBC20239","778317","Present"
-"3-Amino-N-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothien...","","C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=C4Cl)N)C(=O)C1","RQVKPYOGSVGSSP-UHFFFAOYSA-N","4908054",NA,"PDBC20240","771558","Present"
-"3-Amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahy...","","CCC1=CC=CC(=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N)C","QLZOUXUYHFYOID-UHFFFAOYSA-N","2015058",NA,"PDBC20241","772494","Present"
-"3-Amino-N-(2-ethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(2-ethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno...","","CCC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","YYSHBWVNTGSRGY-UHFFFAOYSA-N","1388734",NA,"PDBC20242","772491","Present"
-"3-Amino-N-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothien...","","C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=C4F)N)C(=O)C1","YHFDPEYHDOTAOT-UHFFFAOYSA-N","1856915",NA,"PDBC20243","754567","Present"
-"3-Amino-N-(2-hydroxyphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Amino-N-(2-hydroxyphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide","","C1=CC=C(C(=C1)NC(=O)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-])O","AOZCEPCCUXLMSO-UHFFFAOYSA-N","135503395",NA,"PDBC20244","621739","Present"
-"3-Amino-N-(2-methoxyphenyl)-1H-indazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(2-methoxyphenyl)-1H-indazole-1-carboxamide","","COC1=CC=CC=C1NC(=O)N2C3=CC=CC=C3C(=N2)N","XSOXUCHMMGFZBD-UHFFFAOYSA-N","25197780",NA,"PDBC20245","742803","Present"
-"3-Amino-N-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothie...","","COC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","ZPSSDAWROKAQLF-UHFFFAOYSA-N","4900454",NA,"PDBC20246","771556","Present"
-"3-Amino-N-(2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-5-oxo-N-o-tolyl-5,6,7,8-tetrahydrothieno[2,3-b]q...","","CC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","ZNLXWJRSDSUTLW-UHFFFAOYSA-N","1387507",NA,"PDBC20247","754666","Present"
-"3-Amino-N-(3,4-dimethoxyphenyl)-1H-indazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3,4-dimethoxyphenyl)-1H-indazole-1-carboxamide","","COC1=C(C=C(C=C1)NC(=O)N2C3=CC=CC=C3C(=N2)N)OC","NOJNFWLYVSIILI-UHFFFAOYSA-N","25197779",NA,"PDBC20248","742800","Present"
-"3-Amino-N-(3,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydrot...","","CC1=C(C=C(C=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N)C","DDPBRBGWSNFVGT-UHFFFAOYSA-N","1386900",NA,"PDBC20249","772490","Present"
-"3-Amino-N-(3-((3-amino-3-(4-chlorophenyl)-3-cyano-2-oxopropanoyl)amino)propyl)-3-(4-chlorophenyl)-3-cyano-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-Amino-N-[3-[[3-amino-3-(4-chlorophenyl)-3-cyano-2-oxopropanoyl]amino]propyl]-3-(4-chlorophenyl)-3-cyano-2-oxopropanamide","","C1=CC(=CC=C1C(C#N)(C(=O)C(=O)NCCCNC(=O)C(=O)C(C#N)(C2=CC=C(C=C2)Cl)N)N)Cl","MQNMOIYQMQCKIB-UHFFFAOYSA-N","364266",NA,"PDBC20250","630283","Present"
-"3-Amino-N-(3-bromophenyl)-5-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-bromophenyl)-5-hydroxy-5,6,7,8-tetrahydroth...","","C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC(=CC=C4)Br)N)O","USMHMXPEIAGYKS-UHFFFAOYSA-N","155808355",NA,"PDBC20251","771539","Present"
-"3-Amino-N-(3-bromophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-bromophenyl)-5-oxo-5,6,7,8-tetrahydrothieno...","","C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)Br)N)C(=O)C1","BFWHJXLXKCELIV-UHFFFAOYSA-N","155805166",NA,"PDBC20252","768314","Present"
-"3-Amino-N-(3-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrah...","","CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","PEPLRSOXCXBORF-UHFFFAOYSA-N","1387536",NA,"PDBC20253","771546","Present"
-"3-Amino-N-(3-chlorophenyl)-5-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-chlorophenyl)-5-hydroxy-5,6,7,8-tetrahydrot...","","C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC(=CC=C4)Cl)N)O","XDYCDNPPPXLKCG-UHFFFAOYSA-N","155809667",NA,"PDBC20254","771540","Present"
-"3-Amino-N-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothien...","","C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)Cl)N)C(=O)C1","OAIMKAKOSPTFCI-UHFFFAOYSA-N","1420685",NA,"PDBC20255","753802","Present"
-"3-Amino-N-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothien...","","C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)F)N)C(=O)C1","BFMAPEOBBINCDN-UHFFFAOYSA-N","4906437",NA,"PDBC20256","771557","Present"
-"3-Amino-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3...","","COC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N","HXVWIBODSFOSOQ-UHFFFAOYSA-N","1516711",NA,"PDBC20257","775445","Present"
-"3-Amino-N-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothie...","","COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","PGOHPPFOMMRETJ-UHFFFAOYSA-N","2250489",NA,"PDBC20258","768313","Present"
-"3-Amino-N-(3-methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Amino-N-(3-methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide","","CC1=CC(=CC=C1)NC(=O)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-]","NLEQCRZGKBFLBU-UHFFFAOYSA-N","135479016",NA,"PDBC20259","621728","Present"
-"3-Amino-N-(3-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-...","","CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N","DZRJLYMKRRRLBH-UHFFFAOYSA-N","839019",NA,"PDBC20260","775437","Present"
-"3-Amino-N-(3-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-5-oxo-N-(m-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b...","","CC1=CC(=CC=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","YKZYPHQCTSQYGI-UHFFFAOYSA-N","1322520",NA,"PDBC20261","777085","Present"
-"3-Amino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide","","C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)N3C4=CC=CC=C4C(=N3)N","UVRJXHGTVBSXBO-UHFFFAOYSA-N","25197651",NA,"PDBC20262","742799","Present"
-"3-Amino-N-(4-benzylphenyl)-5-chloro-1H-indazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(4-benzylphenyl)-5-chloro-1H-indazole-1-carbox...","","C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)N3C4=C(C=C(C=C4)Cl)C(=N3)N","BXYYLMAKXXHANI-UHFFFAOYSA-N","51033073",NA,"PDBC20263","749550","Present"
-"3-Amino-N-(4-butoxyphenyl)-1H-indazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(4-butoxyphenyl)-1H-indazole-1-carboxamide","","CCCCOC1=CC=C(C=C1)NC(=O)N2C3=CC=CC=C3C(=N2)N","WHIJZCACRXMLAI-UHFFFAOYSA-N","25199443",NA,"PDBC20264","742801","Present"
-"3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-piperidinyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-piperidinyl)acrylamide","","C1CCN(CC1)C(=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)N","ISJDAXNCNSGYCT-BUHFOSPRSA-N","3005445",NA,"PDBC20265","700471","Present"
-"3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-pyrrolidinyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-pyrrolidinyl)acrylamide","","C1CCN(C1)C(=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)N","HFINJJFLLMJMSA-OUKQBFOZSA-N","3005444",NA,"PDBC20266","700470","Present"
-"3-Amino-N-(4-chlorophenyl)-2-cyano-3-(4-morpholinyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-Amino-N-(4-chlorophenyl)-2-cyano-3-(4-morpholinyl)acrylamide","","C1COCCN1C(=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)N","FGCHOBQXCBPWRH-OUKQBFOZSA-N","3005446",NA,"PDBC20267","700472","Present"
-"3-Amino-N-(4-chlorophenyl)-3-phenyliminopropanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","3-Amino-N-(4-chlorophenyl)-3-phenyliminopropanamide;hydrochloride","","C1=CC=C(C=C1)N=C(CC(=O)NC2=CC=C(C=C2)Cl)N.Cl","AHUJHWULOVOOFN-UHFFFAOYSA-N","359778",NA,"PDBC20268","621345","Present"
-"3-Amino-N-(4-phenoxyphenyl)-5-phenyl-1H-pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(4-phenoxyphenyl)-5-phenyl-1H-pyrazole-1-carbo...","","C1=CC=C(C=C1)C2=CC(=NN2C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)N","GFGOPRXUYPJTON-UHFFFAOYSA-N","45028421",NA,"PDBC20269","742804","Present"
-"3-Amino-N-(5-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(5-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrah...","","CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","LTAQQOFWFGHLAW-UHFFFAOYSA-N","1384950",NA,"PDBC20270","754664","Present"
-"3-Amino-N-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydrothie...","","C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC5=CC=CC=C54)N)C(=O)C1","KJFWGPLKTISRPF-UHFFFAOYSA-N","1420003",NA,"PDBC20271","771550","Present"
-"3-Amino-N-[3-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-(trifluoromethyl)phenyl)-5,6,7,8,9,10-hexah...","","C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)N","CJMQFZUZDYKTKV-UHFFFAOYSA-N","1115047",NA,"PDBC20272","778315","Present"
-"3-Amino-N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(3-(trifluoromethyl)phenyl)-6,7,8,9-tetrahydro...","","C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC(=C4)C(F)(F)F","DVEDQHNNXVVOSO-UHFFFAOYSA-N","1504874",NA,"PDBC20273","778314","Present"
-"3-Amino-N-benzyl-2-cyano-3-(1-pyrrolidinyl)-2-propenethioamide","","","","","","","","","","","","","","","","","","","","3-Amino-N-benzyl-2-cyano-3-(1-pyrrolidinyl)-2-propenethioamide","","C1CCN(C1)C(=C(C#N)C(=S)NCC2=CC=CC=C2)N","NCSZDOLYFOWYJD-BUHFOSPRSA-N","3005136",NA,"PDBC20274","675882","Present"
-"3-Amino-N-benzyl-2-cyano-3-(1-pyrrolidinyl)acrylamide","","","","","","","","","","","","","","","","","","","","3-Amino-N-benzyl-2-cyano-3-(1-pyrrolidinyl)acrylamide","","C1CCN(C1)C(=C(C#N)C(=O)NCC2=CC=CC=C2)N","KRONJQRMILXFLK-BUHFOSPRSA-N","3005135",NA,"PDBC20275","675881","Present"
-"3-Amino-N-benzyl-3-benzylimino-2-phenyldiazenylpropanamide","","","","","","","","","","","","","","","","","","","","3-Amino-N-benzyl-3-benzylimino-2-phenyldiazenylpropanamide","","C1=CC=C(C=C1)CNC(=O)C(C(=NCC2=CC=CC=C2)N)N=NC3=CC=CC=C3","FAZOIBGUMUTFQO-UHFFFAOYSA-N","230943",NA,"PDBC20276","26383","Present"
-"3-Amino-N-mesityl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-mesityl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]q...","","CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N)C","SKOSNNUKRBUZHB-UHFFFAOYSA-N","1282620",NA,"PDBC20277","754571","Present"
-"3-Amino-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]thien...","","C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=C4)N","VHZIYMJMOLPSAC-UHFFFAOYSA-N","1230668",NA,"PDBC20278","778318","Present"
-"3-Amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thie...","","C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC=C4","XLUWDRNECAPOQW-UHFFFAOYSA-N","680201",NA,"PDBC20279","775441","Present"
-"3-Aminoadamantane-1-carboxylic acid hydrochloride","","","","","","","","","","","","","","","","","","","","NSC632545","","C1C2CC3(CC1CC(C2)(C3)N)C(=O)O.Cl","CMUAQGBJDDHTPE-UHFFFAOYSA-N","365220",NA,"PDBC20280","632545","Present"
-"3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid","","C1C2C=CC1C(C2C(=O)O)N.C1=CC=C(C=C1)S(=O)(=O)O","HMAACEFNTSHBSC-UHFFFAOYSA-N","224476",NA,"PDBC20281","12955","Present"
-"3-Aminobutanoic acid","","","","","","","","","","","","","","","","","","","","dl-.beta.-aminobutyrate","","CC(CC(=O)O)N","OQEBBZSWEGYTPG-UHFFFAOYSA-N","10932",NA,"PDBC20282","77380","Present"
-"3-Aminochroman-2-one Hydrochloride","","","","","","","","","","","","","","","","","","","","3-aminochroman-2-one, hydrochloride","","C1C(C(=O)OC2=CC=CC=C21)N.Cl","VRQWZBPIHNKMJN-UHFFFAOYSA-N","381456",NA,"PDBC20283","668044","Present"
-"3-Aminoindan-1-one hydrochloride","","","","","","","","","","","","","","","","","","","","4741AD","","C1C(C2=CC=CC=C2C1=O)N.Cl","XPLMUHLYLOBJST-UHFFFAOYSA-N","390198",NA,"PDBC20284","687359","Present"
-"3-Aminonaphthalene-1,2-diol;hydrochloride","","","","","","","","","","","","","","","","","","","","3-Aminonaphthalene-1,2-diol;hydrochloride","","C1=CC=C2C(=C1)C=C(C(=C2O)O)N.Cl","CHNVNDJGAPCWSN-UHFFFAOYSA-N","24201256",NA,"PDBC20285","407254","Present"
-"3-Aminopropylisothiourea dihydrobromide","","","","","","","","","","","","","","","","","","","","apt (radioprotective)","","C(CN)CSC(=N)N.Br","FPWVLBKDRAMCGF-UHFFFAOYSA-N","54605684",NA,"PDBC20286","62857","Present"
-"3-Aminospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-5-one","","","","","","","","","","","","","","","","","","","","3-Aminospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-5-one","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)N","FEQHEPXYLOHQPX-UHFFFAOYSA-N","135409125",NA,"PDBC20287","658716","Present"
-"3-Aminothiazolo[3,2-a]benzimidazole-2-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Aminothiazolo[3,2-a]benzimidazole-2-carbonitrile","","C1=CC=C2C(=C1)N=C3N2C(=C(S3)C#N)N","JIWZWBIREBPIAB-UHFFFAOYSA-N","392241",NA,"PDBC20288","692377","Present"
-"3-Aminothiazolo[3,2-a]benzimidazole-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Aminothiazolo[3,2-a]benzimidazole-2-carboxamide","","C1=CC=C2C(=C1)N=C3N2C(=C(S3)C(=O)N)N","XWAXRDBWWUICLP-UHFFFAOYSA-N","392247",NA,"PDBC20289","692383","Present"
-"3-Anilino-1-methyl-6-phenyl-1H-pyridazino[4,5-e][1,3,4]thiadiazin-5(6H)-one","","","","","","","","","","","","","","","","","","","","3-Anilino-1-methyl-6-phenyl-1H-pyridazino[4,5-e][1,3,4]thiadiazin-5(6H)-one","","CN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)SC(=NC4=CC=CC=C4)N1","XDNKQGAERQOYOF-UHFFFAOYSA-N","135408940",NA,"PDBC20290","646930","Present"
-"3-Anilino-2-(1H-benzimidazol-2-yl)-3-mercaptoacrylonitrile","","","","","","","","","","","","","","","","","","","","(Z)-3-anilino-2-(1H-benzimidazol-2-yl)-3-sulfanyl-prop-2-enenitrile","","C1=CC=C(C=C1)NC(=S)C(=C2NC3=CC=CC=C3N2)C#N","WRZWYPQVGVEXRN-UHFFFAOYSA-N","5465579",NA,"PDBC20291","655396","Present"
-"3-Anilino-3-oxopropyl((4-(benzoylamino)phenyl)sulfonyl)carbamic acid","","","","","","","","","","","","","","","","","","","","(3-Anilino-3-oxo-propyl)-(4-benzamidophenyl)sulfonyl-carbamic acid","","C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CCC(=O)NC3=CC=CC=C3)C(=O)O","AFOJOMMPMXEFEY-UHFFFAOYSA-N","369702",NA,"PDBC20292","641719","Present"
-"3-Anilino-4-phenyl-1,2,4-oxadiazol-5-one","","","","","","","","","","","","","","","","","","","","3-Anilino-4-phenyl-1,2,4-oxadiazol-5-one","","C1=CC=C(C=C1)NC2=NOC(=O)N2C3=CC=CC=C3","QPXGYDFOMJKJGU-UHFFFAOYSA-N","390097",NA,"PDBC20293","687040","Present"
-"3-Anilino-4-phenylpyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","SKF-62604","","C1=CC=C(C=C1)C2=C(C(=O)NC2=O)NC3=CC=CC=C3","ACQZMAJVOPRMQJ-UHFFFAOYSA-N","6539451",NA,"PDBC20294","756495","Present"
-"3-Anilino-8-chloro-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile","","","","","","","","","","","","","","","","","","","","8-chloro-7-cyano-3-phenylamino-1,2,4-triazolo[4,3-b][1,4...","","C1=CC=C(C=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C#N)Cl","YNBBKSNKYBJFFX-UHFFFAOYSA-N","405673",NA,"PDBC20295","723130","Present"
-"3-Anilino-9,9-dimethyl-1-oxo-2-phenyl-7a,10-dihydrofuro[3,2-e]quinazoline-6,7-dicarbonitrile","","","","","","","","","","","","","","","","","","","","3-Anilino-9,9-dimethyl-1-oxo-2-phenyl-7a,10-dihydrofuro[3,2-e]quinazoline-6,7-dicarbonitrile","","CC1(CC23C(O1)C(=C(C=C2NC(=NC4=CC=CC=C4)N(C3=O)C5=CC=CC=C5)C#N)C#N)C","GVMCFABUMAZWFR-UHFFFAOYSA-N","135464944",NA,"PDBC20296","633121","Present"
-"3-Aza-A-homoandrost-4a-en-4-one, (17-beta)-","","","","","","","","","","","","","","","","","","","","3-Aza-A-homoandrost-4a-en-4-one, 17-[[[4-[bis(2-chloroet...","","CC12CCC3C(C1CCC2OC(=O)COC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=CC(=O)NCCC35C","DXVAGWWNINMAJN-KOMJKGKSSA-N","359499",NA,"PDBC20297","620480","Present"
-"3-Azabicyclo[3.2.1]oct-6-en-2-one, 3-hydroxy-4-(4-hydroxyphenyl)-","","","","","","","","","","","","","","","","","","","","3-Azabicyclo[3.2.1]oct-6-en-2-one, 3-hydroxy-4-(4-hydroxyphenyl)-","","C1C2C=CC1C(=O)N(C2C3=CC=C(C=C3)O)O","QHPDAADDDYJCJJ-UHFFFAOYSA-N","367125",NA,"PDBC20298","636512","Present"
-"3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-thiazolyl)ethylidene]hydrazide","","","","","","","","","","","","","","","","","","","","3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-thia...","","CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=NC=CS3","OHHANFDQXBLKIW-MHWRWJLKSA-N","5464850",NA,"PDBC20299","354670","Present"
-"3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(6-methyl-2-pyridinyl)ethylidene]hydrazide","","","","","","","","","","","","","","","","","","","","3-Azabicyclo[3.2.1]nonane-3-carbothioic acid, [1-(6-meth...","","CC1=NC(=CC=C1)C(=NNC(=S)N2CC3CCC(C2)CC3)C","VJEYGFIUNKNUPI-CPNJWEJPSA-N","5464837",NA,"PDBC20300","335789","Present"
-"3-Azeridinylwithaferin-A","","","","","","","","","","","","","","","","","","","","WITHAFERIN A, AZERIDINYL-","","CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=C(C6O)N7CC7)C)O5)C)CO","NIXMTMDOMRNYIH-UHFFFAOYSA-N","433929",NA,"PDBC20301","339665","Present"
-"3-Azido-1-ethyl-3-phenyl-quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","ZX-AT026535","","CCN1C2=CC=CC=C2C(=O)C(C1=O)(C3=CC=CC=C3)N=[N+]=[N-]","PEWYDORJMJTUMM-UHFFFAOYSA-N","374153",NA,"PDBC20302","651610","Present"
-"3-Azido-1-methyl-3-nonyl-quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-azido-1-methyl-3-nonyl-quinoline-2,4-dione","","CCCCCCCCCC1(C(=O)C2=CC=CC=C2N(C1=O)C)N=[N+]=[N-]","SRQHACORXOESPB-UHFFFAOYSA-N","381893",NA,"PDBC20303","669153","Present"
-"3-Azido-10-(4-chlorobutyl)phenothiazine","","","","","","","","","","","","","","","","","","","","3-Azido-10-(4-chlorobutyl)phenothiazine","","C1=CC=C2C(=C1)N(C3=C(S2)C=C(C=C3)N=[N+]=[N-])CCCCCl","SRQHPBCNYJVVDM-UHFFFAOYSA-N","385371",NA,"PDBC20304","676521","Present"
-"3-Azido-3-benzyl-1H-quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Azido-3-benzyl-1H-quinoline-2,4-dione","","C1=CC=C(C=C1)CC2(C(=O)C3=CC=CC=C3NC2=O)N=[N+]=[N-]","MONWJSWEYRPIFC-UHFFFAOYSA-N","374154",NA,"PDBC20305","651611","Present"
-"3-Azido-3-benzyl-7-methyl-1H-1,8-naphthyridine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Azido-3-benzyl-7-methyl-1H-1,8-naphthyridine-2,4-dione","","CC1=NC2=C(C=C1)C(=O)C(C(=O)N2)(CC3=CC=CC=C3)N=[N+]=[N-]","ZWKJGWRGUGNOSE-UHFFFAOYSA-N","376991",NA,"PDBC20306","658212","Present"
-"3-Azido-3-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Azido-3-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione","","CCCCC1(C(=O)C2=CC=CC3=C2N(C1=O)CCC3)N=[N+]=[N-]","KVSUIQWDNDCEMW-UHFFFAOYSA-N","376999",NA,"PDBC20307","658217","Present"
-"3-Azido-3-ethyl-1-phenyl-quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Azido-3-ethyl-1-phenyl-quinoline-2,4-dione","","CCC1(C(=O)C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)N=[N+]=[N-]","NULQFSCZJRUBSW-UHFFFAOYSA-N","374156",NA,"PDBC20308","651613","Present"
-"3-Azido-3-ethyl-7-methyl-1H-quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Azido-3-ethyl-7-methyl-1H-quinoline-2,4-dione","","CCC1(C(=O)C2=C(C=C(C=C2)C)NC1=O)N=[N+]=[N-]","GPVUBNJBWIMRFQ-UHFFFAOYSA-N","374157",NA,"PDBC20309","651614","Present"
-"3-Azido-3-heptyl-1-methyl-1H-quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Azido-3-heptyl-1-methyl-1H-quinoline-2,4-dione","","CCCCCCCC1(C(=O)C2=CC=CC=C2N(C1=O)C)N=[N+]=[N-]","DAEWNOXENTWUSZ-UHFFFAOYSA-N","377000",NA,"PDBC20310","658218","Present"
-"3-Azido-3-n-heptyl-quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-azido-3-n-heptyl-quinoline-2,4-dione","","CCCCCCCC1(C(=O)C2=CC=CC=C2NC1=O)N=[N+]=[N-]","YQZHNRZCEVUYJZ-UHFFFAOYSA-N","381906",NA,"PDBC20311","669161","Present"
-"3-Azido-3-phenyl-quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-azido-3-phenyl-quinoline-2,4-dione","","C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3NC2=O)N=[N+]=[N-]","XBRXNUUKKLJTET-UHFFFAOYSA-N","381888",NA,"PDBC20312","669150","Present"
-"3-Azido-7-methyl-3-phenyl-1H-quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Azido-7-methyl-3-phenyl-1H-quinoline-2,4-dione","","CC1=CC2=C(C=C1)C(=O)C(C(=O)N2)(C3=CC=CC=C3)N=[N+]=[N-]","RYJIXOVRQQHKDY-UHFFFAOYSA-N","374159",NA,"PDBC20313","651616","Present"
-"3-Azidopropyl 2-diazoacetate","","","","","","","","","","","","","","","","","","","","1-(3-Azidopropoxy)-2-diazonioethenolate","","C(CN=[N+]=[N-])COC(=O)C=[N+]=[N-]","APNJBFSFTDQQJI-UHFFFAOYSA-N","386736",NA,"PDBC20314","679280","Present"
-"3-Benzhydryl-2,4-dioxo-N,4-diphenylbutanamide","","","","","","","","","","","","","","","","","","","","3-Benzhydryl-2,4-dioxo-N,4-diphenylbutanamide","","C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C(=O)C3=CC=CC=C3)C(=O)C(=O)NC4=CC=CC=C4","MLJOJVCXWMNGEA-UHFFFAOYSA-N","377311",NA,"PDBC20315","658711","Present"
-"3-Benzhydryloxy-1,2-benzoxazole","","","","","","","","","","","","","","","","","","","","3-Benzhydryloxy-1,2-benzoxazole","","C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=NOC4=CC=CC=C43","VVGHWYZJPQSFAR-UHFFFAOYSA-N","399396",NA,"PDBC20316","710117","Present"
-"3-Benzhydrylpyridine","","","","","","","","","","","","","","","","","","","","3-Benzhydrylpyridine","","C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN=CC=C3","HGVLJGHVYCBNBB-UHFFFAOYSA-N","77251",NA,"PDBC20317","60654","Present"
-"3-Benzo(b)thiophene-3-yl-1-(3-methyl-1,4-dioxy-quinoxaline-2-yl)-propenone","","","","","","","","","","","","","","","","","","","","3-Benzo(b)thiophene-3-yl-1-(3-methyl-1,4-dioxy-quinoxali...","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CSC4=CC=CC=C43","NMTCFBUCFCRXMU-ZHACJKMWSA-N","54613308",NA,"PDBC20318","751153","Present"
-"3-Benzo[1,3]dioxol-5-yl-5-(3,4,5-trimethoxy-phenyl)-4,5-dihydropyrazole-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","3-Benzo[1,3]dioxol-5-yl-5-(3,4,5-trimethoxy-phenyl)-4,5-...","","COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C=O)C3=CC4=C(C=C3)OCO4","XYKRNAKYHAEBFG-UHFFFAOYSA-N","54589644",NA,"PDBC20319","754197","Present"
-"3-Benzothiazol-2-yl-N-(3-chloro-phenyl)-2-oxo-propionamide","","","","","","","","","","","","","","","","","","","","3-Benzothiazol-2-yl-N-(3-chloro-phenyl)-2-oxo-propionamide","","C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=CC(=CC=C3)Cl","LHHWGVDPVBQMPG-UHFFFAOYSA-N","360997",NA,"PDBC20320","623729","Present"
-"3-Benzoyl-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Benzoyl-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione","","CCCCC#CC1=C(N(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3C4C(C(O3)CO[Si](C)(C)C(C)(C)C)OC(O4)(C)C)I","JQISCAKENDJARC-UHFFFAOYSA-N","45028654",NA,"PDBC20321","743562","Present"
-"3-Benzoyl-1-ethyl-4-hydroxy-1-methyl-4-phenylpiperidinium bromide","","","","","","","","","","","","","","","","","","","","3-Benzoyl-1-ethyl-4-hydroxy-1-methyl-4-phenylpiperidinium bromide","","CC[N+]1(CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]","WAOGMMNROBKUHL-UHFFFAOYSA-M","370031",NA,"PDBC20322","642596","Present"
-"3-Benzoyl-1-methyl-2(1H)-pyridinone","","","","","","","","","","","","","","","","","","","","3-Benzoyl-1-methyl-2(1H)-pyridinone","","CN1C=CC=C(C1=O)C(=O)C2=CC=CC=C2","BLBVLATWMLCMJO-UHFFFAOYSA-N","370865",NA,"PDBC20323","644598","Present"
-"3-Benzoyl-2-dimethylaminomethylindole","","","","","","","","","","","","","","","","","","","","{2-[(Dimethylamino)methyl]-1H-indol-3-yl}(phenyl)methanone","","CN(C)CC1=C(C2=CC=CC=C2N1)C(=O)C3=CC=CC=C3","QNDPUUQUKFWSJN-UHFFFAOYSA-N","374840",NA,"PDBC20324","653266","Present"
-"3-Benzoyl-2-methylnaphtho[2,3-b]furan-4,9-dione","","","","","","","","","","","","","","","","","","","","3-Benzoyl-2-methylnaphtho[2,3-b]furan-4,9-dione","","CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4","LNYQSJFKIKAWNL-UHFFFAOYSA-N","369639",NA,"PDBC20325","641594","Present"
-"3-Benzoyl-4-(4-(benzyloxy)benzyl)-2-phenyl-1,3-oxazolidin-5-one","","","","","","","","","","","","","","","","","","","","3-Benzoyl-4-(4-(benzyloxy)benzyl)-2-phenyl-1,3-oxazolidin-5-one","","C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3C(=O)OC(N3C(=O)C4=CC=CC=C4)C5=CC=CC=C5","PQYKHUFXGSMFST-UHFFFAOYSA-N","383832",NA,"PDBC20326","672449","Present"
-"3-Benzoyl-N-cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide","","","","","","","","","","","","","","","","","","","","3-Benzoyl-N-cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide","","C1CCC(CC1)NC(=S)N2CCN(C2=S)C(=O)C3=CC=CC=C3","MRCCGUKAFASEGT-UHFFFAOYSA-N","3005456",NA,"PDBC20327","704178","Present"
-"3-Benzoyloxy-1-hydroxy-2,8,9-tetrakis(methoxycarbonyl)-7-(2-methoxyphenyl)bicyclo[3.3.1]non-3-ene","","","","","","","","","","","","","","","","","","","","3-Benzoyloxy-1-hydroxy-2,4,8,9-tetrakis(methoxycarbonyl)...","","COC1=CC=CC=C1C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)OC(=O)C4=CC=CC=C4)C(=O)OC)O)C(=O)OC","LXGQVSLEWHRSNO-BNUIVUBKSA-N","24204886",NA,"PDBC20328","733340","Present"
-"3-Benzyl-1,3-dihydroindol-2-one","","","","","","","","","","","","","","","","","","","","Maybridge3_002827","","C1=CC=C(C=C1)CC2C3=CC=CC=C3NC2=O","SJEHQYIHAFTLMS-UHFFFAOYSA-N","347328",NA,"PDBC20329","405962","Present"
-"3-Benzyl-1,3-thiazepane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Benzyl-1,3-thiazepane-2,4-dione","","C1CC(=O)N(C(=O)SC1)CC2=CC=CC=C2","COUXFXBRDLTIDT-UHFFFAOYSA-N","381180",NA,"PDBC20330","667511","Present"
-"3-Benzyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Benzyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione","","C1COCCN1CN2CN(C(=O)N(C2=O)CC3=CC=CC=C3)CN4CCOCC4","KRCUOVGDZAFMAK-UHFFFAOYSA-N","396658",NA,"PDBC20331","703172","Present"
-"3-Benzyl-2-(2,4-dinitrophenyl)sulfanyl-6-iodoquinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-2-[(2,4-dinitrophenyl)sulfanyl]-6-iodoquinazolin-4(3h)-one","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","QYDRGKDTLPBIOI-UHFFFAOYSA-N","402021",NA,"PDBC20332","715716","Present"
-"3-Benzyl-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one","","C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CC=C4)NN=CC5=CC=C(C=C5)Br","IAMNNMKIKGYANO-VULFUBBASA-N","45028588",NA,"PDBC20333","743399","Present"
-"3-Benzyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-6-iodoquinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-2-{[2-(3,5-dimethyl-1h-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-iodoquinazolin-4(3h)-one","","CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4)C","BQSBTOIYXWZKRI-UHFFFAOYSA-N","402047",NA,"PDBC20334","715742","Present"
-"3-Benzyl-3,4-dihydro-2H-1,3-benzoxazin-6-yl benzoate","","","","","","","","","","","","","","","","","","","","3-benzyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl benzoate","","C1C2=C(C=CC(=C2)OC(=O)C3=CC=CC=C3)OCN1CC4=CC=CC=C4","KFRJDNFDPOCDFU-UHFFFAOYSA-N","240955",NA,"PDBC20335","47938","Present"
-"3-Benzyl-3-bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-Benzyl-3-bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)(CC2=CC=CC=C2)Br","VNKRQVYIGVWHOP-UHFFFAOYSA-N","375067",NA,"PDBC20336","653951","Present"
-"3-Benzyl-3-fluoro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-Benzyl-3-fluoro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)(CC2=CC=CC=C2)F","RHDNLDLLMFBEQQ-UHFFFAOYSA-N","383369",NA,"PDBC20337","671533","Present"
-"3-Benzyl-4-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N3C=NN=C3","YSRMNYWYFXILIV-UHFFFAOYSA-N","390155",NA,"PDBC20338","687223","Present"
-"3-Benzyl-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one","","CC1=CC=C(N1N2C(=NNC2=O)CC3=CC=CC=C3)C","XTFSWROSURFSLP-UHFFFAOYSA-N","388870",NA,"PDBC20339","684063","Present"
-"3-Benzyl-4-(2-chloroethyl)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-(2-chloroethyl)-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2CCCl","OETCLSACWWAXQJ-UHFFFAOYSA-N","389501",NA,"PDBC20340","685787","Present"
-"3-Benzyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2CCO","HOJNKFWCCOLKNI-UHFFFAOYSA-N","389498",NA,"PDBC20341","685784","Present"
-"3-Benzyl-4-(3,5-diethyl-1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-(3,5-diethyl-1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one","","CCC1=NN=C(N1N2C(=NNC2=O)CC3=CC=CC=C3)CC","DOXDCWQPURAPOW-UHFFFAOYSA-N","390156",NA,"PDBC20342","687224","Present"
-"3-Benzyl-4-(cyclohexylideneamino)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","5-Benzyl-4-(cyclohexylideneamino)-2h-1,2,4-triazol-3-one","","C1CCC(=NN2C(=NNC2=O)CC3=CC=CC=C3)CC1","CQDUZQPQEUUEMF-UHFFFAOYSA-N","397826",NA,"PDBC20343","706416","Present"
-"3-Benzyl-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","COC1=CC(=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=CC=C3)OC","LHLZYHGLORSCDQ-XDHOZWIPSA-N","9556389",NA,"PDBC20344","702397","Present"
-"3-Benzyl-4-[(E)-(2-chlorophenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-(2-chlorophenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=CC=C3Cl","IEILFYPIEAQFDQ-WOJGMQOQSA-N","9574951",NA,"PDBC20345","681538","Present"
-"3-Benzyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=C(C=CC4=CC=CC=C43)O","HUQKTBQVXCKJGZ-FYJGNVAPSA-N","135509212",NA,"PDBC20346","681539","Present"
-"3-Benzyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=CC=C3O","GRPIWYDIKXDVSR-GZTJUZNOSA-N","135509210",NA,"PDBC20347","680861","Present"
-"3-Benzyl-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","COC1=CC=CC(=C1)C=NN2C(=NNC2=O)CC3=CC=CC=C3","OLRONPQDUJKJJR-LDADJPATSA-N","9556355",NA,"PDBC20348","698064","Present"
-"3-Benzyl-4-[(E)-(4-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-(4-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","COC1=CC=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=CC=C3","IJKHNHAEWBVUIZ-LDADJPATSA-N","9556351",NA,"PDBC20349","698060","Present"
-"3-Benzyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=C(C=C3)[N+](=O)[O-]","LUFWCKULLZCEHS-GZTJUZNOSA-N","9571941",NA,"PDBC20350","675225","Present"
-"3-Benzyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=C(O3)[N+](=O)[O-]","MOBXSSKAFOJMRE-OQLLNIDSSA-N","9556387",NA,"PDBC20351","702395","Present"
-"3-Benzyl-4-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-1,2,4-triazol-5-one","","CC(=NN1C(=NNC1=O)CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]","QWIVSHVLOHHWQT-UDWIEESQSA-N","9572171",NA,"PDBC20352","706414","Present"
-"3-Benzyl-4-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-one","","CC(=NN1C(=NNC1=O)CC2=CC=CC=C2)C3=CC=CC=C3","DJVLVVWKTWOPCW-DEDYPNTBSA-N","9572169",NA,"PDBC20353","706412","Present"
-"3-Benzyl-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CNC4=CC=CC=C43","VKIIMRXVIGUGJA-UDWIEESQSA-N","135505173",NA,"PDBC20354","702401","Present"
-"3-Benzyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CN=CC=C3","RJBSVGKAVREQEO-GZTJUZNOSA-N","9571950",NA,"PDBC20355","677777","Present"
-"3-Benzyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=NC=C3","CBHXEWVBAQQUET-GZTJUZNOSA-N","9571952",NA,"PDBC20356","677779","Present"
-"3-Benzyl-4-[(E)-[4-[(E)-(3-benzyl-5-oxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-[4-[(E)-(3-benzyl-5-oxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=C(C=C3)C=NN4C(=NNC4=O)CC5=CC=CC=C5","AXUDKKLNECQURP-XUIWWLCJSA-N","54611478",NA,"PDBC20357","706419","Present"
-"3-Benzyl-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=CO3","HATJQKCDDMXVDT-XNTDXEJSSA-N","9556341",NA,"PDBC20358","698050","Present"
-"3-Benzyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one","","CC1=CC=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=CC=C3","XUMDXPONOCRKLE-LDADJPATSA-N","9571524",NA,"PDBC20359","677775","Present"
-"3-Benzyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=CS3","RJEXTJSCPXBTDP-XNTDXEJSSA-N","9556345",NA,"PDBC20360","698054","Present"
-"3-Benzyl-4-cyclopentyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-cyclopentyl-1H-1,2,4-triazol-5-one","","C1CCC(C1)N2C(=NNC2=O)CC3=CC=CC=C3","ARXNYDVGIDUSFJ-UHFFFAOYSA-N","385483",NA,"PDBC20361","676719","Present"
-"3-Benzyl-4-cyclopropyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-cyclopropyl-1H-1,2,4-triazol-5-one","","C1CC1N2C(=NNC2=O)CC3=CC=CC=C3","WNKAAYZOEWHWND-UHFFFAOYSA-N","385482",NA,"PDBC20362","676718","Present"
-"3-Benzyl-4-hydroxy-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-hydroxy-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2O","CNVZJJQWITYKCV-UHFFFAOYSA-N","387262",NA,"PDBC20363","680858","Present"
-"3-Benzyl-4-hydroxy-1H-quinolin-2-one","","","","","","","","","","","","","","","","","","","","Maybridge3_004428","","C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3NC2=O)O","NVGZWGUUHGGGEY-UHFFFAOYSA-N","54680363",NA,"PDBC20364","675807","Present"
-"3-Benzyl-4-hydroxy-naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","963C-76","","C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O","KFSLLTMYOUXBKS-UHFFFAOYSA-N","263529",NA,"PDBC20365","98019","Present"
-"3-Benzyl-4-methyl-5,7,9,10,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,5,7,11-pentaen-11-ol","","","","","","","","","","","","","","","","","","","","3-Benzyl-4-methyl-5,7,9,10,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,5,7,11-pentaen-11-ol","","CC1=C(C2=C3NC=C(NN3C=NC2=N1)O)CC4=CC=CC=C4","QWDRLIRGPOBYMG-UHFFFAOYSA-N","397673",NA,"PDBC20366","706035","Present"
-"3-Benzyl-5-((3-benzyl-1H-1,2,4-triazol-5-yl)methyl)-1H-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3-Benzyl-5-((3-benzyl-1H-1,2,4-triazol-5-yl)methyl)-1H-1,2,4-triazole","","C1=CC=C(C=C1)CC2=NC(=NN2)CC3=NNC(=N3)CC4=CC=CC=C4","VTRQUFKVEFDCLS-UHFFFAOYSA-N","390146",NA,"PDBC20367","687214","Present"
-"3-Benzyl-5-butyl-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","LS-150174","","CCCCN1CN(C(=S)SC1)CC2=CC=CC=C2","GKODUQFGYOBNMB-UHFFFAOYSA-N","99601",NA,"PDBC20368","246981","Present"
-"3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-(1-methyleth...","","CC(C)N1CN(C(=S)SC1)CC2=CC=CC=C2","UNAZWQQECWZDDN-UHFFFAOYSA-N","295583",NA,"PDBC20369","164981","Present"
-"3-Benzyl-5-phenyl-1H-pyrazole","","","","","","","","","","","","","","","","","","","","3-Benzyl-5-phenyl-1H-pyrazole","","C1=CC=C(C=C1)CC2=CC(=NN2)C3=CC=CC=C3","ZLVBMDHJLBYKFG-UHFFFAOYSA-N","283965",NA,"PDBC20370","139240","Present"
-"3-Benzyl-5a-methoxy-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine-4,5-dione","","","","","","","","","","","","","","","","","","","","3-Benzyl-5a-methoxy-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine-4,5-dione","","COC12CCCN1C3=C(C2=O)C(=O)N(C=C3)CC4=CC=CC=C4","VKLXMHLASNHERQ-UHFFFAOYSA-N","387654",NA,"PDBC20371","681661","Present"
-"3-Benzyl-6,7-difluoro-2-quinoxalinol","","","","","","","","","","","","","","","","","","","","3-Benzyl-6,7-difluoro-2-quinoxalinol","","C1=CC=C(C=C1)CC2=NC3=CC(=C(C=C3NC2=O)F)F","VWVDZHVMNRXKLW-UHFFFAOYSA-N","394144",NA,"PDBC20372","697371","Present"
-"3-Benzyl-6,7-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-benzyl-6,7-dimethoxy-2-(3,4,5-trimethoxybenzylthio)qui...","","COC1=CC(=CC(=C1OC)OC)CSC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=CC=C4)OC)OC","OSUKXDXDUVHKTJ-UHFFFAOYSA-N","134150511",NA,"PDBC20373","764494","Present"
-"3-Benzyl-6-(trifluoromethyl)quinoxalin-2-ol","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-(trifluoromethyl)quinoxalin-2-ol","","C1=CC=C(C=C1)CC2=NC3=C(C=CC(=C3)C(F)(F)F)NC2=O","RMUQLRXVQUQKMD-UHFFFAOYSA-N","394143",NA,"PDBC20374","697370","Present"
-"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2,5-dichlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2,5-dichlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)COC4=CC(=C(C=C4Cl)OCC5=NN6C(=NN=C6S5)CC7=CC=CC=C7)Cl","LOUWOQGVWZRRSF-UHFFFAOYSA-N","402719",NA,"PDBC20375","716907","Present"
-"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)COC4=CC(=C(C=C4)OCC5=NN6C(=NN=C6S5)CC7=CC=CC=C7)Cl","JZQDLANFZYUVTJ-UHFFFAOYSA-N","402717",NA,"PDBC20376","716905","Present"
-"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","CC(C)(C)C1=CC(=C(C=C1OCC2=NN3C(=NN=C3S2)CC4=CC=CC=C4)Cl)OCC5=NN6C(=NN=C6S5)CC7=CC=CC=C7","MFUJKXNXTPFGKO-UHFFFAOYSA-N","402721",NA,"PDBC20377","716909","Present"
-"3-Benzyl-6-chloro-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-benzyl-6-chloro-2-(3,4,5-trimethoxybenzylthio)quinazol...","","COC1=CC(=CC(=C1OC)OC)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC4=CC=CC=C4","QJAIETSYFSRODY-UHFFFAOYSA-N","134147260",NA,"PDBC20378","764492","Present"
-"3-Benzyl-6-iodo-1H-quinazoline-2,4-dithione","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-iodo-1H-quinazoline-2,4-dithione","","C1=CC=C(C=C1)CN2C(=S)C3=C(C=CC(=C3)I)NC2=S","OQEBNEGZYGMUMR-UHFFFAOYSA-N","5471982",NA,"PDBC20379","715741","Present"
-"3-Benzyl-6-iodo-2-(1,3,4-oxadiazol-2-ylmethylsulfanyl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-iodo-2-[(1,3,4-oxadiazol-2-ylmethyl)sulfanyl]quinazolin-4(3h)-one","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NN=CO4","BPGXZKRXKXIJIC-UHFFFAOYSA-N","402037",NA,"PDBC20380","715732","Present"
-"3-Benzyl-6-iodo-2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-iodo-2-[(1,3,4-thiadiazol-2-ylmethyl)sulfanyl]quinazolin-4(3h)-one","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NN=CS4","DEDGHERLFSPWJO-UHFFFAOYSA-N","402038",NA,"PDBC20381","715733","Present"
-"3-Benzyl-6-iodo-2-(3-nitropyridin-2-yl)sulfanylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-iodo-2-[(3-nitropyridin-2-yl)sulfanyl]quinazolin-4(3h)-one","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SC4=C(C=CC=N4)[N+](=O)[O-]","LNIDLTSIBCUZQB-UHFFFAOYSA-N","402015",NA,"PDBC20382","715710","Present"
-"3-Benzyl-6-iodo-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-iodo-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NNC(=S)O4","WSULZMQSOMZGIB-UHFFFAOYSA-N","5471983",NA,"PDBC20383","715744","Present"
-"3-Benzyl-6-iodo-2-[(5-oxo-4,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-iodo-2-[(5-oxo-4,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]quinazolin-4-one","","C1C(=O)NC(=NN1)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4","YZGXSJNQTHPFLH-UHFFFAOYSA-N","135426744",NA,"PDBC20384","715746","Present"
-"3-Benzyl-6-iodo-2-[(E)-2-oxo-4-phenylbut-3-enyl]sulfanylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-iodo-2-[(E)-2-oxo-4-phenylbut-3-enyl]sulfanylquinazolin-4-one","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)C=CC4=CC=CC=C4","AXOKETWOQOGBPQ-ACCUITESSA-N","5471980",NA,"PDBC20385","715729","Present"
-"3-Benzyl-6-iodo-2-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-iodo-2-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one","","CC1=NN(C(=O)C1)C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4","HCHCWBVURHSPEY-UHFFFAOYSA-N","402048",NA,"PDBC20386","715743","Present"
-"3-Benzyl-6-methyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]pyrido[2,3-e]pyrazine","","","","","","","","","","","","","","","","","","","","12-Benzyl-8-methyl-1,6,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene","","CN1CC2CN(CCN2C3=C1N=CC=C3)CC4=CC=CC=C4","QQRKBUQELPSBBI-UHFFFAOYSA-N","388449",NA,"PDBC20387","683376","Present"
-"3-Benzyl-6-methyl-2,3-dihydro-1H-pyrazino[1,2-a]pyrido[2,3-e]pyrazine-1,4,5(4aH,6H)-trione","","","","","","","","","","","","","","","","","","","","12-Benzyl-8-methyl-1,6,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-9,11,14-trione","","CN1C(=O)C2C(=O)N(CC(=O)N2C3=C1N=CC=C3)CC4=CC=CC=C4","UNZLJXLSZNSJTD-UHFFFAOYSA-N","388448",NA,"PDBC20388","683375","Present"
-"3-Benzyl-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-benzyl-6-methyl-2-(3,4,5-trimethoxybenzylthio)quinazol...","","CC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC(=C(C(=C4)OC)OC)OC","AGKNXKOPENBUQA-UHFFFAOYSA-N","134151852",NA,"PDBC20389","764493","Present"
-"3-Benzyl-6-nonyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-nonyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","CCCCCCCCCC1=NN2C(=NN=C2S1)CC3=CC=CC=C3","JXZMLSOSAGJXGR-UHFFFAOYSA-N","395130",NA,"PDBC20390","699421","Present"
-"3-Benzyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Benzyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione","","C1CCN(C1)C2=CC(=O)N(C(=O)N2)CC3=CC=CC=C3","PYQIWKGHIUSOSF-UHFFFAOYSA-N","386641",NA,"PDBC20391","679098","Present"
-"3-Benzyl-7,8-dimethoxy-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine","","","","","","","","","","","","","","","","","","","","3-Benzyl-7,8-dimethoxy-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine","","COC1=C(C=C2C(ON(CCC2=C1)CC3=CC=CC=C3)C=C)OC","OZWWEIDSIBLVQN-UHFFFAOYSA-N","383921",NA,"PDBC20392","672877","Present"
-"3-Benzyl-7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one","","C1CC1CN2CC3CN(CC(C2)C3=O)CC4=CC=CC=C4","VPBJPQMBMZFEOB-UHFFFAOYSA-N","370728",NA,"PDBC20393","644248","Present"
-"3-Benzyl-7-(trifluoromethyl)quinoxalin-2-ol","","","","","","","","","","","","","","","","","","","","3-Benzyl-7-(trifluoromethyl)quinoxalin-2-ol","","C1=CC=C(C=C1)CC2=NC3=C(C=C(C=C3)C(F)(F)F)NC2=O","AJJHFUKMPBOZKX-UHFFFAOYSA-N","394142",NA,"PDBC20394","697369","Present"
-"3-Benzyl-7-chloro-5-(4-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-7-chloro-5-(4-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one","","CCCCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)O","VBQQYXIDOWSJIE-UHFFFAOYSA-N","391784",NA,"PDBC20395","691369","Present"
-"3-Benzyl-7-oxa-1,2,3-triazaspiro[4.4]non-1-en-6-one","","","","","","","","","","","","","","","","","","","","3-Benzyl-7-oxa-1,2,3-triazaspiro[4.4]non-1-en-6-one","","C1COC(=O)C12CN(N=N2)CC3=CC=CC=C3","SXZUDTSBHCCXQT-UHFFFAOYSA-N","392643",NA,"PDBC20396","693222","Present"
-"3-Benzylidene-1-acetylpiperidin-4-one","","","","","","","","","","","","","","","","","","","","3-Benzylidene-1-acetylpiperidin-4-one","","CC(=O)N1CCC(=O)C(=CC2=CC=CC=C2)C1","TWMIJEGBUYMAIA-UKTHLTGXSA-N","5387103",NA,"PDBC20397","620458","Present"
-"3-Benzylidene-2-indolinone","","","","","","","","","","","","","","","","","","","","NSC405961","","C1=CC=C(C=C1)C=C2C3=CC=CC=C3NC2=O","SXJAAQOVTDUZPS-RAXLEYEMSA-N","1551501",NA,"PDBC20398","405961","Present"
-"3-Benzylidene-6,6-dimethylbicyclo[3.1.1]heptane-2-one","","","","","","","","","","","","","","","","","","","","J3.597.833J","","CC1(C2CC1C(=O)C(=CC3=CC=CC=C3)C2)C","NKWTXASMNZHMLU-XYOKQWHBSA-N","5387060",NA,"PDBC20399","620048","Present"
-"3-Benzylideneimidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","3-Benzylideneimidazo[2,1-b]quinazoline-2,5(1H,3H)-dione","","C1=CC=C(C=C1)C=C2C(=O)NC3=NC4=CC=CC=C4C(=O)N23","AQWOGTVZOMEHRH-GXDHUFHOSA-N","135493945",NA,"PDBC20400","684345","Present"
-"3-Benzyloxy-1-[(4-methoxyphenyl)methyl]-5-nitro-indazole","","","","","","","","","","","","","","","","","","","","3-Benzyloxy-1-[(4-methoxyphenyl)methyl]-5-nitro-indazole","","COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4","UQBHBWVGTVDYOE-UHFFFAOYSA-N","386340",NA,"PDBC20401","678123","Present"
-"3-Benzyloxy-1-methyl-4-(2-thioxothiazolidine-3-carbonyl)pyridin-2-one","","","","","","","","","","","","","","","","","","","","3-Benzyloxy-1-methyl-4-(2-thioxothiazolidine-3-carbonyl)pyridin-2-one","","CN1C=CC(=C(C1=O)OCC2=CC=CC=C2)C(=O)N3CCSC3=S","LSCQAXFNKGKCDV-UHFFFAOYSA-N","391977",NA,"PDBC20402","691699","Present"
-"3-Benzyloxymethyl-4(3H)-quinazalone, hydrochloride","","","","","","","","","","","","","","","","","","","","3-Benzyloxymethyl-4(3H)-quinazalone, hydrochloride","","C1=CC=C(C=C1)COCN2C=NC3=CC=CC=C3C2=O.Cl","CTQYFXQWLSDGAV-UHFFFAOYSA-N","390548",NA,"PDBC20403","688036","Present"
-"3-Benzyloxymethyl-5-bromo-4(3H)-quinazalone, hydrochloride","","","","","","","","","","","","","","","","","","","","3-Benzyloxymethyl-5-bromo-4(3H)-quinazalone, hydrochloride","","C1=CC=C(C=C1)COCN2C=NC3=C(C2=O)C=C(C=C3)Br.Cl","SRLSLBTWMKGVGG-UHFFFAOYSA-N","390550",NA,"PDBC20404","688037","Present"
-"3-Benzylsulfanyl-4-phenylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","3-(Benzylsulfanyl)-4-phenyl-4h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide","","C1=CC=C(C=C1)CSC2=NS(=O)(=O)C3=C(N2C4=CC=CC=C4)C=CN=C3","YDEGBMJAEUJINN-UHFFFAOYSA-N","401340",NA,"PDBC20405","714652","Present"
-"3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine","","","","","","","","","","","","","","","","","","","","3-(Benzylthio)phenanthro[9,10-e][1,2,4]triazine","","C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2","VNLBCJYVPMIDDO-UHFFFAOYSA-N","332058",NA,"PDBC20406","327702","Present"
-"3-Benzylsulfonyl-2-methylpropanamide","","","","","","","","","","","","","","","","","","","","3-(Benzylsulfonyl)-2-methylpropanamide","","CC(CS(=O)(=O)CC1=CC=CC=C1)C(=O)N","GBGQJMVOIZIQCF-UHFFFAOYSA-N","335544",NA,"PDBC20407","345671","Present"
-"3-Bis(4-methylanilino)phosphoryloxy-N-(4-methylphenyl)benzamide","","","","","","","","","","","","","","","","","","","","3-Bis(4-methylanilino)phosphoryloxy-N-(4-methylphenyl)benzamide","","CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OP(=O)(NC3=CC=C(C=C3)C)NC4=CC=C(C=C4)C","BIGLTBKYQWTMIG-UHFFFAOYSA-N","382340",NA,"PDBC20408","669807","Present"
-"3-Bromo-1,2,2,6,6-pentamethylpiperidin-4-one;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC670169","","CC1(CC(=O)C(C(N1C)(C)C)Br)C.Br","RPCGTTSMXJWYCI-UHFFFAOYSA-N","382561",NA,"PDBC20409","670169","Present"
-"3-Bromo-1,2,4-trimethyl-5-nitrobenzene","","","","","","","","","","","","","","","","","","","","(3-Bromo-2,4,5-trimethylphenyl)(hydroxy)azane oxide","","CC1=CC(=C(C(=C1C)Br)C)[N+](=O)[O-]","KPQBZJCFTJHRJU-UHFFFAOYSA-N","321408",NA,"PDBC20410","271928","Present"
-"3-Bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-Bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)Br","BVKYBJRXHXMTSV-UHFFFAOYSA-N","372722",NA,"PDBC20411","648305","Present"
-"3-Bromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-Bromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)OC1)Br","HVLDDIVWVPWBOB-UHFFFAOYSA-N","380416",NA,"PDBC20412","665939","Present"
-"3-Bromo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ethyl carbonate","","","","","","","","","","","","","","","","","","","","(1R)-2-endo-Ethylcarboxyloxy-3-endo-bromo-1,7,7-trimethy...","","CCOC(=O)OC1C(C2CCC1(C2(C)C)C)Br","XNKUKQNZIXMXIQ-UHFFFAOYSA-N","376768",NA,"PDBC20413","657825","Present"
-"3-Bromo-1-(2,5-dimethoxy-4-methylphenyl)-1-propanol","","","","","","","","","","","","","","","","","","","","3-Bromo-1-(2,5-dimethoxy-4-methylphenyl)-1-propanol","","CC1=CC(=C(C=C1OC)C(CCBr)O)OC","JSDZDYSEHXFROL-UHFFFAOYSA-N","356336",NA,"PDBC20414","611750","Present"
-"3-Bromo-1-oxo-2-phenylthiochromen-4-one","","","","","","","","","","","","","","","","","","","","3-Bromo-1-oxo-2-phenylthiochromen-4-one","","C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3S2=O)Br","PRRUTZLYWDIZDZ-UHFFFAOYSA-N","5472015",NA,"PDBC20415","715997","Present"
-"3-Bromo-1H-indole-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","CS-16770","","C1=CC=C2C(=C1)C(=C(N2)C=O)Br","BJYNPOMFNPNCHZ-UHFFFAOYSA-N","360189",NA,"PDBC20416","622161","Present"
-"3-Bromo-2,3-dihydro-4h-1,4-thiazepino[2,3,4-iu]quinolinium bromide","","","","","","","","","","","","","","","","","","","","12-Bromo-10-thia-1-azoniatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene;bromide","","C1C(CSC2=CC=CC3=C2[N+]1=CC=C3)Br.[Br-]","VBVMKTGVKGCKSO-UHFFFAOYSA-M","398483",NA,"PDBC20417","708387","Present"
-"3-Bromo-2,6-dichloro-3-(chloromethyl)-7-methyloct-1-ene;2,3-dibromo-6-chloro-3-(chloromethyl)-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","3-Bromo-2,6-dichloro-3-(chloromethyl)-7-methyloct-1-ene;2,3-dibromo-6-chloro-3-(chloromethyl)-7-methyloct-1-ene","","CC(C)C(CCC(CCl)(C(=C)Cl)Br)Cl.CC(C)C(CCC(CCl)(C(=C)Br)Br)Cl","LNVPKWIMTSCNDO-UHFFFAOYSA-N","6712340",NA,"PDBC20418","670798","Present"
-"3-Bromo-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-6-methoxyaniline","","","","","","","","","","","","","","","","","","","","3-Bromo-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-6-methoxyaniline","","COC1=C(C(=C(C=C1)Br)C(=O)N2CCC3=CC=CC=C32)N","BJSYOMPNEGAUEF-UHFFFAOYSA-N","362977",NA,"PDBC20419","627509","Present"
-"3-Bromo-2-(bromomethyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one","","","","","","","","","","","","","","","","","","","","3-Bromo-2-(bromomethyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one","","CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)CBr)Br)C","CIGORHUILUXPDJ-UHFFFAOYSA-N","383153",NA,"PDBC20420","671199","Present"
-"3-Bromo-2-ethoxy-1-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione","","","","","","","","","","","","","","","","","","","","3-Bromo-2-ethoxy-1-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione","","CCOC1C(N2C(=O)C3=CC4=CC=CC=C4C=C3C(=O)N2CC1Br)C","DQAFLNVGFSWHQX-UHFFFAOYSA-N","373133",NA,"PDBC20421","649075","Present"
-"3-Bromo-2-ethoxy-tetrahydropyran","","","","","","","","","","","","","","","","","","","","AI3-19972","","CCOC1C(CCCO1)Br","MKDZXJPQACWMSP-UHFFFAOYSA-N","217662",NA,"PDBC20422","619971","Present"
-"3-Bromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate","","","","","","","","","","","","","","","","","","","","3-Bromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate","","CC1=NN2C=CC(=CC2=C1Br)OC(=O)C","WGVHINMJCOFEOF-UHFFFAOYSA-N","386501",NA,"PDBC20423","678871","Present"
-"3-Bromo-2-phenylquinolin-4(1h)-one","","","","","","","","","","","","","","","","","","","","NCIMech_000116","","C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)Br","XTXHUFVPTJDODX-UHFFFAOYSA-N","224423",NA,"PDBC20424","12825","Present"
-"3-Bromo-3-(bromomethyl)-6-chloro-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","3-Bromo-3-(bromomethyl)-6-chloro-7-methyloct-1-ene","","CC(C)C(CCC(CBr)(C=C)Br)Cl","LOHJESIGLRETPU-UHFFFAOYSA-N","382917",NA,"PDBC20425","670792","Present"
-"3-Bromo-3-fluoro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-Bromo-3-fluoro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)(F)Br","FZTOZLCHIQSMMO-UHFFFAOYSA-N","380420",NA,"PDBC20426","665943","Present"
-"3-Bromo-3-methyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-Bromo-3-methyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","CC1(S(=O)(=O)OCCOS1(=O)=O)Br","FBZKPKCKRRTFNL-UHFFFAOYSA-N","375070",NA,"PDBC20427","653954","Present"
-"3-Bromo-3-methylsulfonyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-Bromo-3-(methylsulfonyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","CS(=O)(=O)C1(S(=O)(=O)OCCOS1(=O)=O)Br","KGURBLIMPNLTMZ-UHFFFAOYSA-N","375069",NA,"PDBC20428","653953","Present"
-"3-Bromo-4'-chlorochalcone","","","","","","","","","","","","","","","","","","","","3-Bromo-4'-chlorochalcone","","C1=CC(=CC(=C1)Br)C=CC(=O)C2=CC=C(C=C2)Cl","CLCKUHZBRBOVTR-RUDMXATFSA-N","5796429",NA,"PDBC20429","159065","Present"
-"3-Bromo-4,4-dimethyl-3-phenyl-3,4-dihydro-1,2-diazete 1,2-dioxide","","","","","","","","","","","","","","","","","","","","1,2-Diazete, 3-bromo-3,4-dihydro-4,4-dimethyl-3-phenyl-,...","","CC1(C([N+](=O)N1[O-])(C2=CC=CC=C2)Br)C","MCTAMJHNQXDECG-UHFFFAOYSA-N","379390",NA,"PDBC20430","663932","Present"
-"3-Bromo-4-(1-hexynyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3-bromo-4-(1-hexynyl)-2(5H)-furanone","","CCCCC#CC1=C(C(=O)OC1)Br","KJEKSVOBQOQQKR-UHFFFAOYSA-N","10466937",NA,"PDBC20431","726327","Present"
-"3-Bromo-4-(2-(4-methoxyphenyl)ethynyl)furan-2(5H)-one","","","","","","","","","","","","","","","","","","","","3-bromo-4-(2-(4-methoxyphenyl)ethynyl)furan-2(5H)-one","","COC1=CC=C(C=C1)C#CC2=C(C(=O)OC2)Br","ORLYFVOVRNFNJE-UHFFFAOYSA-N","24204187",NA,"PDBC20432","730944","Present"
-"3-Bromo-4-(3,3-dimethyl-but-1-ynyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3-Bromo-4-(3,3-dimethyl-but-1-ynyl)-2(5H)-furanone","","CC(C)(C)C#CC1=C(C(=O)OC1)Br","FGQJABGBZLBMMZ-UHFFFAOYSA-N","11413833",NA,"PDBC20433","726328","Present"
-"3-Bromo-4-(3-chloro-4-hydroxyphenyl)-5-(4-hydroxybenzylidene)furan-2(5H)-one","","","","","","","","","","","","","","","","","","","","(5Z)-3-bromo-5-[(4-hydroxyphenyl)methylene]-4-(3-chloro-...","","C1=CC(=CC=C1C=C2C(=C(C(=O)O2)Br)C3=CC(=C(C=C3)O)Cl)O","YLZGYZBRGQMYRW-AUWJEWJLSA-N","5472705",NA,"PDBC20434","720858","Present"
-"3-Bromo-4-(3-chloro-4-methoxyphenyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3-bromo-4-(3-chloro-4-methoxyphenyl)-2(5H)-furanone","","COC1=C(C=C(C=C1)C2=C(C(=O)OC2)Br)Cl","YQFWHGBYXSGNAU-UHFFFAOYSA-N","406333",NA,"PDBC20435","724392","Present"
-"3-Bromo-4-(4-bromo-N-ethyl-anilino)pyrido[1,2-a]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","3-Bromo-4-[(4-bromophenyl)(ethyl)amino]-2H-pyrido[1,2-a]pyrimidin-2-one","","CCN(C1=CC=C(C=C1)Br)C2=C(C(=O)N=C3N2C=CC=C3)Br","COHJWSVBZUJJBW-UHFFFAOYSA-N","367819",NA,"PDBC20436","637895","Present"
-"3-Bromo-4-(4-ethylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","3-bromo-4-(4-(ethylthio)phenyl)-1-(3,4,5-trimethoxypheny...","","CCSC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)Br","HFZUWQQSIKHXFH-UHFFFAOYSA-N","155808722",NA,"PDBC20437","792961","Present"
-"3-Bromo-4-(4-heptylthiophen-3-yl)thiophene","","","","","","","","","","","","","","","","","","","","3-(4-Bromo-3-thienyl)-4-heptyl-thiophene","","CCCCCCCC1=CSC=C1C2=CSC=C2Br","KKDVTCAWCFJHAJ-UHFFFAOYSA-N","396278",NA,"PDBC20438","701975","Present"
-"3-Bromo-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine","","","","","","","","","","","","","","","","","","","","3-Bromo-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine","","C1=CC(=C(C=C1C=C2C(=O)NC(=S)S2)Br)N(CCC#N)CCC#N","HTMBEOWUVUPUSS-UVTDQMKNSA-N","5469596",NA,"PDBC20439","690617","Present"
-"3-Bromo-4-[(2-bromo-6-tert-butyl-4-cyanophenoxy)-phenylphosphoryl]oxy-5-tert-butylbenzonitrile","","","","","","","","","","","","","","","","","","","","3-Bromo-4-[(2-bromo-6-tert-butyl-4-cyanophenoxy)-phenylphosphoryl]oxy-5-tert-butylbenzonitrile","","CC(C)(C)C1=C(C(=CC(=C1)C#N)Br)OP(=O)(C2=CC=CC=C2)OC3=C(C=C(C=C3Br)C#N)C(C)(C)C","WVXAUWCLYHAMPX-UHFFFAOYSA-N","306052",NA,"PDBC20440","203328","Present"
-"3-Bromo-4-chloro-4,5-dihydrocyclopenta[c]thiophen-6-one","","","","","","","","","","","","","","","","","","","","1-Bromo-6-chloro-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1C(C2=C(SC=C2C1=O)Br)Cl","OXHYCYMFHGMELN-UHFFFAOYSA-N","399786",NA,"PDBC20441","710881","Present"
-"3-Bromo-4-dimethylamino benzalacetophenone","","","","","","","","","","","","","","","","","","","","3-Bromo-4-dimethylamino benzalacetophenone","","CN(C)C1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2)Br","OQRRXBHCKXWVFK-PKNBQFBNSA-N","5351390",NA,"PDBC20442","643164","Present"
-"3-Bromo-4-dimethylamino benzylidene-1-tetralone","","","","","","","","","","","","","","","","","","","","3-Bromo-4-dimethylamino benzylidene-1-tetralone","","CN(C)C1=C(C=C(C=C1)C=C2CCC3=CC=CC=C3C2=O)Br","MGZDXGBMBNPRFV-RVDMUPIBSA-N","5351388",NA,"PDBC20443","643162","Present"
-"3-Bromo-4-dimethylamino-.alpha.-benzoyl cinnamonitrite","","","","","","","","","","","","","","","","","","","","3-Bromo-4-dimethylamino-.alpha.-benzoyl cinnamonitrite","","CN(C)C1=C(C=C(C=C1)C=C(C#N)C(=O)C2=CC=CC=C2)Br","FMULDRRTPXJWII-XNTDXEJSSA-N","6173891",NA,"PDBC20444","643160","Present"
-"3-Bromo-4-dimethylamino-benzylidene pinacolone","","","","","","","","","","","","","","","","","","","","3-Bromo-4-dimethylamino-benzylidene pinacolone","","CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)N(C)C)Br","AIFPYNBIMVUCNT-VQHVLOKHSA-N","5908752",NA,"PDBC20445","643165","Present"
-"3-Bromo-4-hydroxy-4,5-dihydrocyclopenta[c]thiophen-6-one","","","","","","","","","","","","","","","","","","","","1-Bromo-6-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1C(C2=C(SC=C2C1=O)Br)O","YFSVFEQAOMAVIC-UHFFFAOYSA-N","397153",NA,"PDBC20446","704554","Present"
-"3-Bromo-4-phenylethynyl-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3-Bromo-4-phenylethynyl-2(5H)-furanone","","C1C(=C(C(=O)O1)Br)C#CC2=CC=CC=C2","VAXZWKWVUPCXFX-UHFFFAOYSA-N","10422840",NA,"PDBC20447","726329","Present"
-"3-Bromo-5-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrazin-2-amine","","","","","","","","","","","","","","","","","","","","3-Bromo-5-{1-[(4-methylphenyl)sulfonyl]-1h-indol-3-yl}pyrazin-2-amine","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CN=C(C(=N4)Br)N","JJUYTSYASSUTBD-UHFFFAOYSA-N","400422",NA,"PDBC20448","712001","Present"
-"3-Bromo-6-[3-(dimethylamino)propoxy]-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","3-bromo-6-(3-(dimethylamino)propoxy)-9-methoxy-11H-inden...","","CN(C)CCCOC1=NC2=C(C=CC(=C2)Br)C3=C1C4=C(C3=O)C=C(C=C4)OC","WPKVVFWDYYZHAU-UHFFFAOYSA-N","155816463",NA,"PDBC20449","781404","Present"
-"3-Bromo-6-chloro-8-nitroquinoline","","","","","","","","","","","","","","","","","","","","9610AA","","C1=C2C=C(C=NC2=C(C=C1Cl)[N+](=O)[O-])Br","COVFYLACFRNJLF-UHFFFAOYSA-N","384158",NA,"PDBC20450","673448","Present"
-"3-Bromo-6-chloro-quinolin-8-ol","","","","","","","","","","","","","","","","","","","","3-Bromo-6-chloroquinolin-8-ol","","C1=C2C=C(C=NC2=C(C=C1Cl)O)Br","UTZBNSLJVBNZRT-UHFFFAOYSA-N","384174",NA,"PDBC20451","673498","Present"
-"3-Bromo-N'-(2-hydroxybenzoyl)benzohydrazide","","","","","","","","","","","","","","","","","","","","3-Bromo-N'-(2-hydroxybenzoyl)benzohydrazide","","C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Br)O","ULHQLAPEEWNTKE-UHFFFAOYSA-N","393333",NA,"PDBC20452","695041","Present"
-"3-Bromo-N-(4-methylphenyl)sulfonyl-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-3-carboxamide","","","","","","","","","","","","","","","","","","","","3-Bromo-N-(4-methylphenyl)sulfonyl-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-3-carboxamide","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2(S(=O)(=O)OCCOS2(=O)=O)Br","HNOGECDIDSCQNM-UHFFFAOYSA-N","375066",NA,"PDBC20453","653950","Present"
-"3-Bromo-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide","","","","","","","","","","","","","","","","","","","","3-Bromo-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide","","C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)O","KGJIMOHXZUUUBR-UHFFFAOYSA-N","3967840",NA,"PDBC20454","215721","Present"
-"3-Bromoadamantane-1-carboxamide","","","","","","","","","","","","","","","","","","","","CB-1740","","C1C2CC3(CC1CC(C2)(C3)Br)C(=O)N","SUSXMUKHFSYNND-UHFFFAOYSA-N","64374",NA,"PDBC20455","632547","Present"
-"3-Bromocyclopenta[c]thiophen-6-one","","","","","","","","","","","","","","","","","","","","1-Bromocyclopenta[c]thiophen-4-one","","C1=CC(=O)C2=CSC(=C21)Br","SENZFQBCEOEZKS-UHFFFAOYSA-N","397152",NA,"PDBC20456","704553","Present"
-"3-Bromopentadecan-2-one","","","","","","","","","","","","","","","","","","","","3-Bromopentadecan-2-one","","CCCCCCCCCCCCC(C(=O)C)Br","DFPQFFUBBOPUGQ-UHFFFAOYSA-N","368419",NA,"PDBC20457","639421","Present"
-"3-Bromopyruvic acid","","","","","","","","","","","","","","","","","","","","3-Bromopyruvate (acid)///3-Bromopyruvic acid","","C(C(=O)C(=O)O)Br","PRRZDZJYSJLDBS-UHFFFAOYSA-N","70684",NA,"PDBC20458","62343///782120","Present"
-"3-Bromoquinolin-8-ol","","","","","","","","","","","","","","","","","","","","3-Bromoquinolin-8-ol","","C1=CC2=CC(=CN=C2C(=C1)O)Br","VYGIVXTVBNTOLP-UHFFFAOYSA-N","384167",NA,"PDBC20459","673458","Present"
-"3-But-3-en-2-yl-2-hydroxybenzaldehyde","","","","","","","","","","","","","","","","","","","","3-(But-3-en-2-yl)-2-hydroxybenzaldehyde","","CC(C=C)C1=CC=CC(=C1O)C=O","QHVIESXWEVIHFD-UHFFFAOYSA-N","233642",NA,"PDBC20460","32516","Present"
-"3-But-3-enylazepane-2-thione","","","","","","","","","","","","","","","","","","","","3-But-3-enylazepane-2-thione","","C=CCCC1CCCCNC1=S","NFFMLHKKXMABGG-UHFFFAOYSA-N","3004925",NA,"PDBC20461","663576","Present"
-"3-But-3-enylpiperidine-2-thione","","","","","","","","","","","","","","","","","","","","3-But-3-enylpiperidine-2-thione","","C=CCCC1CCCNC1=S","VXOQFWXXVFOTOX-UHFFFAOYSA-N","3004387",NA,"PDBC20462","649429","Present"
-"3-Butan-2-yl-2-methylbenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-(Butan-2-yl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCC(C)N1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","JAQXUKVOOOYTJI-UHFFFAOYSA-N","374252",NA,"PDBC20463","651753","Present"
-"3-Butan-2-yloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(Butan-2-yloxy)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","CCC(C)OC(=O)C1C2CCC(C1C(=O)O)O2","WZTMXURDBJHVLQ-UHFFFAOYSA-N","369528",NA,"PDBC20464","641385","Present"
-"3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","1-(4-methylphenyl)-3,4,4-trichloro-but-3-en-1-one","","CC1=CC=C(C=C1)C(=O)CC(=C(Cl)Cl)Cl","ZOZDGQZLQYLOMU-UHFFFAOYSA-N","405822",NA,"PDBC20465","723509","Present"
-"3-Buten-2-one, 4-(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","AI3-11154","","CC1=CC=C(C=C1)C=CC(=O)C","USXMUOFSQBSHGN-VMPITWQZSA-N","5463195",NA,"PDBC20466","636784","Present"
-"3-Buten-2-one, 4-phenyl-1-(1H-1,2,4-triazol-3-ylthio)-","","","","","","","","","","","","","","","","","","","","3-Buten-2-one, 4-phenyl-1-(1H-1,2,4-triazol-3-ylthio)-","","C1=CC=C(C=C1)C=CC(=O)CSC2=NC=NN2","SYINJHJVHULOSU-VOTSOKGWSA-N","6110619",NA,"PDBC20467","659376","Present"
-"3-Butenophenone, 4-phenyl-","","","","","","","","","","","","","","","","","","","","1,4-Diphenyl-3-buten-1-one","","C1=CC=C(C=C1)C=CCC(=O)C2=CC=CC=C2","GBUFRJCGZJNUSB-JXMROGBWSA-N","5369654",NA,"PDBC20468","700212","Present"
-"3-Butenyl (nitrooxy)acetate","","","","","","","","","","","","","","","","","","","","3-Butenyl (nitrooxy)acetate","","C=CCCOC(=O)CO[N+](=O)[O-]","NGAXGTBMBGXHST-UHFFFAOYSA-N","361717",NA,"PDBC20469","624961","Present"
-"3-Butyl-1,4-dihydropyrazol-5-one","","","","","","","","","","","","","","","","","","","","3-Butyl-1,4-dihydropyrazol-5-one","","CCCCC1=NNC(=O)C1","LZKLBLBDAJYESY-UHFFFAOYSA-N","390701",NA,"PDBC20470","688342","Present"
-"3-Butyl-4-(dimethylamino)-6-(1-methyl-1H-indol-3-yl)-2-oxo-2H-pyran-5-yl acetate","","","","","","","","","","","","","","","","","","","","3-Butyl-4-(dimethylamino)-6-(1-methyl-1H-indol-3-yl)-2-oxo-2H-pyran-5-yl acetate","","CCCCC1=C(C(=C(OC1=O)C2=CN(C3=CC=CC=C32)C)OC(=O)C)N(C)C","XWGSXULMWZLITF-UHFFFAOYSA-N","394531",NA,"PDBC20471","698076","Present"
-"3-Butyl-5-(5-hexenyl)hexahydro-1H-pyrrolizine","","","","","","","","","","","","","","","","","","","","3-Butyl-5-(5-hexenyl)hexahydro-1H-pyrrolizine","","CCCCC1CCC2N1C(CC2)CCCCC=C","AVCHFMDYFWBBRU-UHFFFAOYSA-N","370507",NA,"PDBC20472","643728","Present"
-"3-Butyl-7-(((2,2-dimethoxyethyl)amino)methyl)-4-pentyl-2-quinolinol","","","","","","","","","","","","","","","","","","","","3-Butyl-7-(((2,2-dimethoxyethyl)amino)methyl)-4-pentyl-2-quinolinol","","CCCCCC1=C(C(=O)NC2=C1C=CC(=C2)CNCC(OC)OC)CCCC","CTHRWGYCIBTPQM-UHFFFAOYSA-N","379135",NA,"PDBC20473","663414","Present"
-"3-Carbamothioylsulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","NSC9906","","C(CSC(=S)N)C(=O)O","WIJJWWIBCIACQL-UHFFFAOYSA-N","1380711",NA,"PDBC20474","9906","Present"
-"3-Carbamoyl-6,7-dihydroxy-2-iminochromene","","","","","","","","","","","","","","","","","","","","NSC638081","","C1=C2C=C(C(=N)OC2=CC(=C1O)O)C(=O)N","NGPLDNSVQRNKAF-UHFFFAOYSA-N","135452204",NA,"PDBC20475","638081","Present"
-"3-Carbamoyl-7,8-dihydroxy-2-iminochromene","","","","","","","","","","","","","","","","","","","","NSC638079","","C1=CC(=C(C2=C1C=C(C(=N)O2)C(=O)N)O)O","YGCFICMCMFUVOP-UHFFFAOYSA-N","135469311",NA,"PDBC20476","638079","Present"
-"3-Carboxamide-coumarin deriv., 4","","","","","","","","","","","","","","","","","","","","6-(Chloromethyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide","","C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","RUYAFFMOCORBIV-UHFFFAOYSA-N","402501",NA,"PDBC20477","716527","Present"
-"3-Chloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azobenzene","","","","","","","","","","","","","","","","","","","","3-Chloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azoben...","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC(=CC=C2)Cl","NZFAGPFREPVQQW-UHFFFAOYSA-N","365292",NA,"PDBC20478","632843","Present"
-"3-Chloro-1,1-dioxo-benzothiophene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Benzo[b]thiophenecarboxylic acid, 3-chloro-, S,S-dioxide","","C1=CC=C2C(=C1)C(=C(S2(=O)=O)C(=O)O)Cl","KAEKYMDYNFGGKM-UHFFFAOYSA-N","360917",NA,"PDBC20479","623632","Present"
-"3-Chloro-1,6-dihydropyrazolo[3,4-a]acridin-11-one","","","","","","","","","","","","","","","","","","","","3-Chloro-1,6-dihydropyrazolo[3,4-a]acridin-11-one","","C1=CC=C2C(=C1)C(=O)C3=C4C(=C(NN4)Cl)C=CC3=N2","SLSBCSNMGZLLMJ-UHFFFAOYSA-N","438262",NA,"PDBC20480","629701","Present"
-"3-Chloro-1-(2,3-dichlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(2,3-dichlorophenyl)-4-(3-hydroxyanilino)-2,5...","","C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)Cl","OTQXJKJFLWTKJD-UHFFFAOYSA-N","1339953",NA,"PDBC20481","727737","Present"
-"3-Chloro-1-(2,4-dichlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(2,4-dichlorophenyl)-4-(3-hydroxyanilino)-2,5...","","C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)Cl","JWMXGUMDRBBSEW-UHFFFAOYSA-N","1184375",NA,"PDBC20482","727736","Present"
-"3-Chloro-1-(2-chlorobenzyl)-4-(3-trifluoromethylanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(2-chlorobenzyl)-4-(3-trifluoromethylanilino)...","","C1=CC=C(C(=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(F)(F)F)Cl","TVVOBBMYKNSTAU-UHFFFAOYSA-N","1179893",NA,"PDBC20483","732694","Present"
-"3-Chloro-1-(2-chlorophenyl)-4-(3-hydroxyanilino)-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(2-chlorophenyl)-4-(3-hydroxyanilino)-2,5-dih...","","C1=CC=C(C(=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O)Cl","NXPFNCYYWJJLQD-UHFFFAOYSA-N","729920",NA,"PDBC20484","727740","Present"
-"3-Chloro-1-(3,4-dichlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(3,4-dichlorophenyl)-4-(3-hydroxyanilino)-2,5...","","C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl","BJIIVLHTTJVOQZ-UHFFFAOYSA-N","1184374",NA,"PDBC20485","727735","Present"
-"3-Chloro-1-(3-chloro-4-methylphenyl)-4-(3-hydroxyanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(3-chloro-4-methylphenyl)-4-(3-hydroxyanilino...","","CC1=C(C=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O)Cl","JFSRPLRXLGZZLF-UHFFFAOYSA-N","1339767",NA,"PDBC20486","727734","Present"
-"3-Chloro-1-(3-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(3-chlorophenyl)-4-(3-hydroxyanilino)-2,5-dih...","","C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)Cl","UYGZTDGGSLBPJS-UHFFFAOYSA-N","713413",NA,"PDBC20487","727739","Present"
-"3-Chloro-1-(4-chlorobenzyl)-4-(3-fluoroanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(4-chlorobenzyl)-4-(3-fluoroanilino)-2,5-dihy...","","C1=CC(=CC(=C1)F)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl","UYFLHGLDXNMUHB-UHFFFAOYSA-N","1575030",NA,"PDBC20488","727975","Present"
-"3-Chloro-1-(4-chlorobenzyl)-4-(3-hydroxy-4-methylanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(4-chlorobenzyl)-4-(3-hydroxy-4-methylanilino...","","CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl)O","ZOPSQVLOVVVWKJ-UHFFFAOYSA-N","1575028",NA,"PDBC20489","727974","Present"
-"3-Chloro-1-(4-chlorobenzyl)-4-(3-hydroxyanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(4-chlorobenzyl)-4-(3-hydroxyanilino)-2,5-dih...","","C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl","BTNZSQPLPOQPBR-UHFFFAOYSA-N","1575025",NA,"PDBC20490","727973","Present"
-"3-Chloro-1-(4-chlorobenzyl)-4-(3-methoxyanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(4-chlorobenzyl)-4-(3-methoxyanilino)-2,5-dih...","","COC1=CC=CC(=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl","ZCLBARXSAUHKPL-UHFFFAOYSA-N","1574986",NA,"PDBC20491","727971","Present"
-"3-Chloro-1-(4-chlorobenzyl)-4-(3-toluidino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(4-chlorobenzyl)-4-(3-toluidino)-2,5-dihydro-...","","CC1=CC(=CC=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl","SCOJJIMUYNJXKF-UHFFFAOYSA-N","1574961",NA,"PDBC20492","727969","Present"
-"3-Chloro-1-(4-chlorobenzyl)-4-(3-trifluoromethylanilino)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(4-chlorobenzyl)-4-(3-trifluoromethylanilino)...","","C1=CC(=CC(=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl)C(F)(F)F","JRLXLGYNQYCXPS-UHFFFAOYSA-N","1574997",NA,"PDBC20493","727972","Present"
-"3-Chloro-1-(5-chloro-2-methoxyphenyl)-4-(3-hydroxyanilino)-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(3-hydroxyanilin...","","COC1=C(C=C(C=C1)Cl)N2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O","PHZGMLLJKICSIT-UHFFFAOYSA-N","1039165",NA,"PDBC20494","727732","Present"
-"3-Chloro-1-[(2,4-dichlorophenyl)methyl]-4-(3-hydroxyanilino)pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-chloro-1-(2,4-dichlorobenzyl)-4-(3-hydroxyanilino)-2,5...","","C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)Cl","WZZMAAYXMSOGAC-UHFFFAOYSA-N","1179901",NA,"PDBC20495","732796","Present"
-"3-Chloro-10-methylacridin-9(10h)-one","","","","","","","","","","","","","","","","","","","","9-Acridanone, 3-chloro-10-methyl-","","CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3)Cl","IBBMWCKISGYFMK-UHFFFAOYSA-N","294452",NA,"PDBC20496","162887","Present"
-"3-Chloro-10H-pyridazino[4,3-b][1,4]benzothiazine","","","","","","","","","","","","","","","","","","","","3-chlor-10H-pyridazino[4,3-b][1,4]benzothiazin","","C1=CC=C2C(=C1)NC3=NN=C(C=C3S2)Cl","GUFFLUIBTAFRHG-UHFFFAOYSA-N","327173",NA,"PDBC20497","301168","Present"
-"3-Chloro-16-[4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy]-benzylidene]-androst-5-ene-17-one","","","","","","","","","","","","","","","","","","","","3-Chloro-16-[4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)OCC(=O)N6CCN(CC6)C)C4=O)C)Cl","AFPXSJKULFZBQM-PTGBLXJZSA-N","60148020",NA,"PDBC20498","753491","Present"
-"3-Chloro-1H-indazole","","","","","","","","","","","","","","","","","","","","3-chloroindazole","","C1=CC2=C(NN=C2C=C1)Cl","QPHAGNNWDZSKJH-UHFFFAOYSA-N","95894",NA,"PDBC20499","42179","Present"
-"3-Chloro-2,2-bis(chloromethyl)propyl methanesulfonate","","","","","","","","","","","","","","","","","","","","3-Chloro-2,2-bis(chloromethyl)propyl methanesulfonate","","CS(=O)(=O)OCC(CCl)(CCl)CCl","JUIARHVJVBNNEA-UHFFFAOYSA-N","373711",NA,"PDBC20500","650612","Present"
-"3-Chloro-2-(1-acetyl-5-chloro-1H-pyrazol-3-yl)quinoxaline","","","","","","","","","","","","","","","","","","","","2-(1-Acetyl-5-chloro-1h-pyrazol-3-yl)-3-chloroquinoxaline","","CC(=O)N1C(=CC(=N1)C2=NC3=CC=CC=C3N=C2Cl)Cl","QSTYJADXJPMKFH-UHFFFAOYSA-N","399572",NA,"PDBC20501","710446","Present"
-"3-Chloro-2-(3,4-dimethoxyphenyl)-1,5,6-trimethoxy-1H-indene","","","","","","","","","","","","","","","","","","","","3-Chloro-2-(3,4-dimethoxyphenyl)-1,5,6-trimethoxy-1H-indene","","COC1C2=CC(=C(C=C2C(=C1C3=CC(=C(C=C3)OC)OC)Cl)OC)OC","MVHXQJNXLZHNFP-UHFFFAOYSA-N","373705",NA,"PDBC20502","650597","Present"
-"3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-inden-1-one","","","","","","","","","","","","","","","","","","","","3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-inden-1-one","","COC1=C(C=C(C=C1)C2=C(C3=CC(=C(C=C3C2=O)OC)OC)Cl)OC","SPXFXYOHHGCBHY-UHFFFAOYSA-N","388099",NA,"PDBC20503","682562","Present"
-"3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-indene","","","","","","","","","","","","","","","","","","","","3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-indene","","COC1=C(C=C(C=C1)C2=C(C3=CC(=C(C=C3C2)OC)OC)Cl)OC","YCOMVNYUYPKRSD-UHFFFAOYSA-N","375767",NA,"PDBC20504","655916","Present"
-"3-Chloro-2-(dibenzoylamino)-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","3-Chloro-2-(dibenzoylamino)-1,4-naphthoquinone","","C1=CC=C(C=C1)C(=O)N(C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C(=O)C4=CC=CC=C4","FLNYCOQJVVSTHM-UHFFFAOYSA-N","389900",NA,"PDBC20505","686551","Present"
-"3-Chloro-2-formyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Chloro-2-formyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C2C(=C1)N=C3N2C(=O)C(=CO)C(=C3C#N)Cl","OQWFLQZYCDSANH-VURMDHGXSA-N","135409141",NA,"PDBC20506","659485","Present"
-"3-Chloro-2-methyl-1,2-benzoselenazol-2-ium;chloride","","","","","","","","","","","","","","","","","","","","NSC291534","","C[N+]1=C(C2=CC=CC=C2[Se]1)Cl.[Cl-]","VNBMCYLFEXBZFG-UHFFFAOYSA-M","24198262",NA,"PDBC20507","291534","Present"
-"3-Chloro-2-phenyl-6-[(3,4,5-trimethoxyphenoxy)methyl]quinoxaline","","","","","","","","","","","","","","","","","","","","3-Chloro-2-phenyl-6-[(3,4,5-trimethoxyphenoxy)methyl]quinoxaline","","COC1=CC(=CC(=C1OC)OC)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","WTCOIIHUWZNPRD-UHFFFAOYSA-N","392808",NA,"PDBC20508","693764","Present"
-"3-Chloro-2-phenyl-6-[(3,5-dimethoxyphenoxy)methyl]quinoxaline","","","","","","","","","","","","","","","","","","","","3-Chloro-6-[(3,5-dimethoxyphenoxy)methyl]-2-phenylquinoxaline","","COC1=CC(=CC(=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4)OC","CWNXINJPWCQNMU-UHFFFAOYSA-N","392809",NA,"PDBC20509","693765","Present"
-"3-Chloro-2-phenyl-6-[(4-fluorophenoxy)methyl]quinoxaline","","","","","","","","","","","","","","","","","","","","3-Chloro-6-[(4-fluorophenoxy)methyl]-2-phenylquinoxaline","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)COC4=CC=C(C=C4)F)N=C2Cl","ODZRGIABKXFAMY-UHFFFAOYSA-N","392817",NA,"PDBC20510","693773","Present"
-"3-Chloro-2-phenyl-6-[(4-methoxyphenoxy)methyl]quinoxaline","","","","","","","","","","","","","","","","","","","","3-Chloro-6-[(4-methoxyphenoxy)methyl]-2-phenylquinoxaline","","COC1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","GHRMAUPCTWGVNN-UHFFFAOYSA-N","392810",NA,"PDBC20511","693766","Present"
-"3-Chloro-3-(3,4-dimethoxyphenyl)-2-phenylacrylaldehyde","","","","","","","","","","","","","","","","","","","","3-Chloro-3-(3,4-dimethoxyphenyl)-2-phenylacrylaldehyde","","COC1=C(C=C(C=C1)C(=C(C=O)C2=CC=CC=C2)Cl)OC","JYUILEZKWSVWEJ-VKAVYKQESA-N","3004103",NA,"PDBC20512","627593","Present"
-"3-Chloro-3-(4-hydroxyphenyl)-2-phenylacrylaldehyde","","","","","","","","","","","","","","","","","","","","(E)-3-chloro-3-(4-hydroxyphenyl)-2-phenyl-prop-2-enal","","C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)O)Cl)C=O","YBHHOEVNNXRJIT-PFONDFGASA-N","3004153",NA,"PDBC20513","632295","Present"
-"3-Chloro-4-(3-chloroanilino)-1-(2,5-dihy dro-1H-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-4-(3-chloroanilino)-1-(2,4-dichlorobenzyl)-2,5-...","","C1=CC(=CC(=C1)Cl)NC2=C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)Cl","JOICVZOUUIXXJS-UHFFFAOYSA-N","1179898",NA,"PDBC20514","732795","Present"
-"3-Chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-dihy...","","C1=CC=C(C(=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)Cl)Cl","PMEDTCIUPWICEC-UHFFFAOYSA-N","1179892",NA,"PDBC20515","732693","Present"
-"3-Chloro-4-(3-chloroanilino)-1-(4-chlorobenzyl)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-4-(3-chloroanilino)-1-(4-chlorobenzyl)-2,5-dihy...","","C1=CC(=CC(=C1)Cl)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl","JNBRLTGQJWOGPF-UHFFFAOYSA-N","1574964",NA,"PDBC20516","727970","Present"
-"3-Chloro-4-(3-hydroxyanilino)-1-(4-methoxybenzyl)-2,5-pyrroledione","","","","","","","","","","","","","","","","","","","","3-chloro-4-(3-hydroxyanilino)-1-(4-methoxybenzyl)-2,5-di...","","COC1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O","XCZQJRDPQQCUHP-UHFFFAOYSA-N","1179896",NA,"PDBC20517","732793","Present"
-"3-Chloro-4-(4-chlorophenoxy)-N-(4-(dimethylamino)benzylidene)aniline","","","","","","","","","","","","","","","","","","","","3-Chloro-4-(4-chlorophenoxy)-N-(4-(dimethylamino)benzylidene)aniline","","CN(C)C1=CC=C(C=C1)C=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl","GDKBGTSTBFSOSD-UHFFFAOYSA-N","392950",NA,"PDBC20518","694164","Present"
-"3-Chloro-4-(4-chlorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]azetidin-2-one","","","","","","","","","","","","","","","","","","","","3-Chloro-4-(4-chlorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]azetidin-2-one","","CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(C(C4=O)Cl)C5=CC=C(C=C5)Cl","RUOMUWZHOSWMCW-UHFFFAOYSA-N","403763",NA,"PDBC20519","719182","Present"
-"3-Chloro-4-(4-chlorophenyl)-5H-furan-2-one","","","","","","","","","","","","","","","","","","","","3-chloro-4-(4-chlorophenyl)-5H-furan-2-one","","C1C(=C(C(=O)O1)Cl)C2=CC=C(C=C2)Cl","LBEBHZUNZRODQF-UHFFFAOYSA-N","405305",NA,"PDBC20520","722463","Present"
-"3-Chloro-4-(4-hydroxyphenyl)-5-(3-bromo-4-hydroxybenzylidene)furan-2(5H)-one","","","","","","","","","","","","","","","","","","","","(Z)-3-chloro-4-(4'-hydroxyphenyl)-5-(3","","C1=CC(=CC=C1C2=C(C(=O)OC2=CC3=CC(=C(C=C3)O)Br)Cl)O","WXCBXFXYLBBMBQ-ZSOIEALJSA-N","5472908",NA,"PDBC20521","722460","Present"
-"3-Chloro-4-[(3-hydroxyphenyl)amino]-1-(2,4,5-trichlorophenyl)azoline-2,5-dione","","","","","","","","","","","","","","","","","","","","3-chloro-4-(3-hydroxyanilino)-1-(2,4,5-trichlorophenyl)-...","","C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3Cl)Cl)Cl)Cl","OUOPGBDTSQGDGI-UHFFFAOYSA-N","1179894",NA,"PDBC20522","732695","Present"
-"3-Chloro-4-[(3-hydroxyphenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-chloro-4-(3-hydroxyanilino)-1-phenethyl-2,5-dihydro-1H...","","C1=CC=C(C=C1)CCN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O","YLLQDPKAEIEOCQ-UHFFFAOYSA-N","724965",NA,"PDBC20523","727730","Present"
-"3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)N)N)C","NEPRICDFKCWBJJ-UHFFFAOYSA-N","278058",NA,"PDBC20524","127157","Present"
-"3-Chloro-4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","3-Chloro-4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C","CXPPEAKWJYCICV-UHFFFAOYSA-N","277243",NA,"PDBC20525","125845","Present"
-"3-Chloro-4-[methyl(phenyl)amino]-2H-furo[2,3-h][1]benzopyran-2-one","","","","","","","","","","","","","","","","","","","","3-Chloro-4-[methyl(phenyl)amino]-2H-furo[2,3-h][1]benzopyran-2-one","","CN(C1=CC=CC=C1)C2=C(C(=O)OC3=C2C=CC4=C3C=CO4)Cl","HUQUXMHGDXCBJE-UHFFFAOYSA-N","341482",NA,"PDBC20526","373765","Present"
-"3-Chloro-4-hydroxy-5,8-dimethoxynaphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-Chloro-4-hydroxy-5,8-dimethoxynaphthalene-1,2-dione","","COC1=C2C(=C(C=C1)OC)C(=O)C(=O)C(=C2O)Cl","BQCKRIMKOZKHAR-UHFFFAOYSA-N","377182",NA,"PDBC20527","658407","Present"
-"3-Chloro-4-methoxy-N-[4-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","3-Chloro-4-methoxy-N-[4-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(=NC(=CC5=CC=CC=C5[N+](=O)[O-])C4=O)C6=CC=CC=C6)Cl","RPRLLFYGNZTFHV-ONUIUJJFSA-N","5472210",NA,"PDBC20528","716944","Present"
-"3-Chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","3-Chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(=NC(=CC5=CC=CS5)C4=O)C6=CC=CC=C6)Cl","SXXUJRSHCWDCNL-XYGWBWBKSA-N","5472211",NA,"PDBC20529","716945","Present"
-"3-Chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-[(Z)-3-phenylprop-2-enylidene]imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","3-Chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-[(Z)-3-phenylprop-2-enylidene]imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(=NC(=CC=CC5=CC=CC=C5)C4=O)C6=CC=CC=C6)Cl","CHUFMOIIJFSOKQ-PKLKSNDSSA-N","5472209",NA,"PDBC20530","716943","Present"
-"3-Chloro-4-methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-Chloro-4-methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C)Cl","DHEJXBLSCKRICZ-UHFFFAOYSA-N","381507",NA,"PDBC20531","668263","Present"
-"3-Chloro-4-methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-2-one, 3-chloro-7-[(tetrahydro-4-methyle...","","CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4)Cl","YWRGWWAGFKXEDU-UHFFFAOYSA-N","381511",NA,"PDBC20532","668267","Present"
-"3-Chloro-4-methyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-Chloro-4-methyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one","","CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=CC=C3)Cl","YXEWWJGSFMYIIE-UHFFFAOYSA-N","387174",NA,"PDBC20533","680710","Present"
-"3-Chloro-4-methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one","","","","","","","","","","","","","","","","","","","","3-Chloro-4-methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one","","CC1=C(C(=O)OC2=C1C=CC(=C2)OCC=C3CCC(=O)O3)Cl","XCQYSCOTCGBJJP-UXBLZVDNSA-N","24205384",NA,"PDBC20534","735336","Present"
-"3-Chloro-4-phenylethynyl-5H-furan-2-one","","","","","","","","","","","","","","","","","","","","3-Chloro-4-phenylethynyl-5H-furan-2-one","","C1C(=C(C(=O)O1)Cl)C#CC2=CC=CC=C2","VSSFJKNOZZWLPP-UHFFFAOYSA-N","11435928",NA,"PDBC20535","728554","Present"
-"3-Chloro-4-thienyl-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","3-chloro-4-thienyl-2(5H)-furanone","","C1C(=C(C(=O)O1)Cl)C2=CC=CS2","NZKRMEJETRLAGI-UHFFFAOYSA-N","406335",NA,"PDBC20536","724394","Present"
-"3-Chloro-5,6-dimethoxy-N,N-dimethyl-2-phenyl-1H-inden-1-amine","","","","","","","","","","","","","","","","","","","","3-Chloro-5,6-dimethoxy-N,N-dimethyl-2-phenyl-1H-inden-1-amine","","CN(C)C1C2=CC(=C(C=C2C(=C1C3=CC=CC=C3)Cl)OC)OC","GFADEKHAHHJAFK-UHFFFAOYSA-N","373252",NA,"PDBC20537","649316","Present"
-"3-Chloro-5-(phenylsulfanylmethyl)xanthen-9-one","","","","","","","","","","","","","","","","","","","","3-Chloro-5-(phenylsulfanylmethyl)xanthen-9-one","","C1=CC=C(C=C1)SCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl","IVDJZAGOHBOWFZ-UHFFFAOYSA-N","391390",NA,"PDBC20538","690563","Present"
-"3-Chloro-5-[(2-methoxyanilino)methyl]xanthen-9-one","","","","","","","","","","","","","","","","","","","","3-Chloro-5-[(2-methoxyanilino)methyl]xanthen-9-one","","COC1=CC=CC=C1NCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl","CEYMTGCCJDAXAE-UHFFFAOYSA-N","391388",NA,"PDBC20539","690561","Present"
-"3-Chloro-5-[(4-methoxyanilino)methyl]xanthen-9-one","","","","","","","","","","","","","","","","","","","","3-Chloro-5-[(4-methoxyanilino)methyl]xanthen-9-one","","COC1=CC=C(C=C1)NCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl","JHUYXDVAGJOEHO-UHFFFAOYSA-N","391389",NA,"PDBC20540","690562","Present"
-"3-Chloro-5-hydroxy-2-(4-nitrophenyl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","3-Chloro-5-hydroxy-2-(4-nitrophenyl)naphthalene-1,4-dione","","C1=CC2=C(C(=C1)O)C(=O)C(=C(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl","GFJJRPHPSPGQKX-UHFFFAOYSA-N","375827",NA,"PDBC20541","656075","Present"
-"3-Chloro-5-nitro-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","3-Chloro-5-nitro-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)benzamide","","C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(C=N2)NC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]","ZGHYXQZXLUYDJA-UHFFFAOYSA-N","369432",NA,"PDBC20542","641202","Present"
-"3-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole","","","","","","","","","","","","","","","","","","","","2-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole","","C1=CC2=NC3=C(N2C=C1)NC4=C3C=CC(=C4)Cl","LBQQWJXSQDNNEA-UHFFFAOYSA-N","370272",NA,"PDBC20543","643050","Present"
-"3-Chloro-6,7-dimethyl-2-quinoxalinecarbonitrile 1,4-dioxide","","","","","","","","","","","","","","","","","","","","3-Chloro-6,7-dimethyl-2-quinoxalinecarbonitrile 1,4-dioxide","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])Cl)C#N","CCVAPSMYJNZZIL-UHFFFAOYSA-N","392858",NA,"PDBC20544","693870","Present"
-"3-Chloro-6-(4-chlorophenoxy)-2-methylpyrazino[2,3-c]isoquinoline","","","","","","","","","","","","","","","","","","","","3-Chloro-6-(4-chlorophenoxy)-2-methylpyrazino[2,3-c]isoquinoline","","CC1=C(N=C2C(=N1)C3=CC=CC=C3C(=N2)OC4=CC=C(C=C4)Cl)Cl","VUYQLOWHSTYYTL-UHFFFAOYSA-N","372777",NA,"PDBC20545","648401","Present"
-"3-Chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl acetate","","","","","","","","","","","","","","","","","","","","3-Chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl acetate","","CC(=O)OC1=C(SC2=C(C=CC(=C2)Cl)N3C1=CC=C3)C4=CC=C(C=C4)OC","HSIFOAIRNYTRKK-UHFFFAOYSA-N","378548",NA,"PDBC20546","661183","Present"
-"3-Chloro-6-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-4-methyl-2-pyridinol","","","","","","","","","","","","","","","","","","","","3-Chloro-6-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-4-methyl-2-pyridinol","","CC1=C(C(=O)NC(=C1)C2=C(C3=C(C(=C2O)OC)OC=C3)OC)Cl","KUOXPZNJOITSBQ-UHFFFAOYSA-N","384092",NA,"PDBC20547","673314","Present"
-"3-Chloro-7-(2-hydroxy-3-isopropoxypropoxy)-4-methyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-Chloro-7-(2-hydroxy-3-isopropoxypropoxy)-4-methyl-2H-chromen-2-one","","CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(COC(C)C)O)Cl","WOLCQMQHVGPURS-UHFFFAOYSA-N","381517",NA,"PDBC20548","668273","Present"
-"3-Chloro-7-nitro-1,2,4-benzotriazine 1-oxide","","","","","","","","","","","","","","","","","","","","3-Chloro-7-nitro-1,2,4-benzotriazine 1-oxide","","C1=CC2=C(C=C1[N+](=O)[O-])[N+](=NC(=N2)Cl)[O-]","ZJLUWASPMQAXOJ-UHFFFAOYSA-N","6711496",NA,"PDBC20549","628908","Present"
-"3-Chloro-8-hydroxy-5-quinolinesulfonic acid","","","","","","","","","","","","","","","","","","","","3-Chloro-8-hydroxyquinoline-5-sulfonic acid","","C1=CC(=C2C=C(C=NC2=C1O)Cl)S(=O)(=O)O","AXISMUCPBSDGRD-UHFFFAOYSA-N","395838",NA,"PDBC20550","700841","Present"
-"3-Chloro-8-methoxy-as-triazino[3,4-b]benzothiazole-4(H)-one","","","","","","","","","","","","","","","","","","","","3-Chloro-8-methoxy-as-triazino[3,4-b]benzothiazole-4(H)-one","","COC1=CC2=C(C=C1)N3C(=O)C(NN=C3S2)Cl","HEZPMQSFPSOSNE-UHFFFAOYSA-N","24204312",NA,"PDBC20551","731301","Present"
-"3-Chloro-9-(2-methyl-4-nitro-phenyl)sulfanyl-acridine","","","","","","","","","","","","","","","","","","","","BG-461","","CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl","LZIWXOTUMNLQOY-UHFFFAOYSA-N","371161",NA,"PDBC20552","645162","Present"
-"3-Chloro-9-(4-nitrophenyl)sulfanyl-acridine","","","","","","","","","","","","","","","","","","","","BG-460","","C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)Cl)SC4=CC=C(C=C4)[N+](=O)[O-]","ITVFUNZOVAQBNJ-UHFFFAOYSA-N","371142",NA,"PDBC20553","645146","Present"
-"3-Chloro-9-(oxiran-2-ylmethylsulfanyl)acridine","","","","","","","","","","","","","","","","","","","","3-Chloro-9-(oxiran-2-ylmethylsulfanyl)acridine","","C1C(O1)CSC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl","TVZHVHHLJPEOGD-UHFFFAOYSA-N","395395",NA,"PDBC20554","699931","Present"
-"3-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline","","","","","","","","","","","","","","","","","","","","3-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline","","CC(=NC1=CC(=CC=C1)Cl)C2=CC=NC=C2","PESFEQXARPIBQP-UHFFFAOYSA-N","383460",NA,"PDBC20555","671846","Present"
-"3-Chloro-N-(3-((3-chlorophenyl)imino)-1-propenyl)aniline","","","","","","","","","","","","","","","","","","","","3-Chloro-N-(3-((3-chlorophenyl)imino)-1-propenyl)aniline","","C1=CC(=CC(=C1)Cl)NC=CC=NC2=CC(=CC=C2)Cl","NWKGXQFLADZTQJ-XZWFSIJGSA-N","5787368",NA,"PDBC20556","676465","Present"
-"3-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)propanamide","","CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)NC(=O)CCCl","SYNQZTVZCIEMKE-UHFFFAOYSA-N","356998",NA,"PDBC20557","614567","Present"
-"3-Chloro-N-(4-methoxyphenyl)furo[2,3-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","3-Chloro-N-(4-methoxyphenyl)furo[2,3-b]quinolin-4-amine","","COC1=CC=C(C=C1)NC2=C3C(=COC3=NC4=CC=CC=C42)Cl","ILKNZAUKLDAMMV-UHFFFAOYSA-N","406537",NA,"PDBC20558","724685","Present"
-"3-Chloro-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide","","","","","","","","","","","","","","","","","","","","3-Chloro-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide","","C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=NNC(=O)C5=CC(=CC=C5)Cl","NEVGITATZIDBSE-NJNXFGOHSA-N","5955340",NA,"PDBC20559","701028","Present"
-"3-Chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine","","","","","","","","","","","","","","","","","","","","3-Chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine","","C1=CC=C(C=C1)C(=NNC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC=CC=N3","GOHOXNBIFQIMCA-XYGWBWBKSA-N","5905604",NA,"PDBC20560","693628","Present"
-"3-Chloro-N-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Chloro-N-(2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-1...","","CN1CCC2=CC=CC=C2C1CC3=CC=CC=C3NC(=O)C4=C(C5=CC=CC=C5S4)Cl","ACKAQJBYLPLIOW-UHFFFAOYSA-N","328910",NA,"PDBC20561","309874","Present"
-"3-Chloro-N-[3-(3-chlorobutanoylamino)-6-oxobenzo[c]chromen-8-yl]butanamide","","","","","","","","","","","","","","","","","","","","3-Chloro-N-[3-(3-chlorobutanoylamino)-6-oxobenzo[c]chromen-8-yl]butanamide","","CC(CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)NC(=O)CC(C)Cl)OC2=O)Cl","URXZJNIWQIDISL-UHFFFAOYSA-N","24205586",NA,"PDBC20562","736195","Present"
-"3-Chloro-N-hydroxy-N-methylbenzamide","","","","","","","","","","","","","","","","","","","","3-Chloro-N-hydroxy-N-methylbenzamide","","CN(C(=O)C1=CC(=CC=C1)Cl)O","OQNWUGXINSMGTG-UHFFFAOYSA-N","392393",NA,"PDBC20563","692757","Present"
-"3-Chloro-N-mesitylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","3-Chloro-N-mesitylbenzenesulfinamide","","CC1=CC(=C(C(=C1)C)NS(=O)C2=CC(=CC=C2)Cl)C","LWWCNQDZVSVWRO-UHFFFAOYSA-N","375380",NA,"PDBC20564","655051","Present"
-"3-Chloro-N-methylfuro[2,3-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","3-Chloro-N-methylfuro[2,3-b]quinolin-4-amine","","CNC1=C2C(=COC2=NC3=CC=CC=C31)Cl","YJXWHGCNMMLNFX-UHFFFAOYSA-N","24203393",NA,"PDBC20565","727804","Present"
-"3-Chloro-N-phenylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","3-Chloro-N-phenylbenzenesulfinamide","","C1=CC=C(C=C1)NS(=O)C2=CC(=CC=C2)Cl","BVYRZBAICPHLJQ-UHFFFAOYSA-N","385397",NA,"PDBC20566","676571","Present"
-"3-Chloro-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one","","","","","","","","","","","","","","","","","","","","3-Chloro-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one","","C1=CC=C2C(=C1)N3C(=O)C(=NN=C3S2)Cl","ISYKGOSWMJJOBE-UHFFFAOYSA-N","826953",NA,"PDBC20567","731299","Present"
-"3-Chloro-benzoic acid 3-(4-chloro-phenyl)-3-oxo-propenyl ester","","","","","","","","","","","","","","","","","","","","3-Chloro-benzoic acid 3-(4-chloro-phenyl)-3-oxo-propenyl...","","C1=CC(=CC(=C1)Cl)C(=O)OC=CC(=O)C2=CC=C(C=C2)Cl","IGHNONWIOJLLON-CMDGGOBGSA-N","5473325",NA,"PDBC20568","725062","Present"
-"3-Chloroadamantan-1-amine hydrochloride","","","","","","","","","","","","","","","","","","","","CC-2064","","C1C2CC3(CC1CC(C2)(C3)Cl)N.Cl","BRXNXSCWHSVIPC-UHFFFAOYSA-N","371825",NA,"PDBC20569","646342","Present"
-"3-Chlorochalcone","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 3-(3-chlorophenyl)-1-phenyl- (9CI)","","C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)Cl","XBFMSIZYORSEPA-MDZDMXLPSA-N","5377023",NA,"PDBC20570","1990","Present"
-"3-Chloroindolo[2,1-b]quinazoline-6,12-dione","","","","","","","","","","","","","","","","","","","","3-Chloroindolo[2,1-b]quinazoline-6,12-dione","","C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=CC(=C4)Cl)C(=O)N23","BZVZEQMQAGMPDX-UHFFFAOYSA-N","396706",NA,"PDBC20571","703315","Present"
-"3-Chloromethyl-6-hydroxyamino-1-(methanesulfonyl)indoline","","","","","","","","","","","","","","","","","","","","3-chloromethyl-6-hydroxyamino-1-(methanesulfonyl)indoline","","CS(=O)(=O)N1CC(C2=C1C=C(C=C2)NO)CCl","JTLYVUXXQOYWRR-UHFFFAOYSA-N","389321",NA,"PDBC20572","685230","Present"
-"3-Chloropropionic acid","","","","","","","","","","","","","","","","","","","",".beta.-Chloropropionic acid","","C(CCl)C(=O)O","QEYMMOKECZBKAC-UHFFFAOYSA-N","7899",NA,"PDBC20573","2183","Present"
-"3-Chloropropyl 2-diazoacetate","","","","","","","","","","","","","","","","","","","","1-(3-Chloropropoxy)-2-diazonioethenolate","","C(COC(=O)C=[N+]=[N-])CCl","LYGXRSBUUOMZSH-UHFFFAOYSA-N","386738",NA,"PDBC20574","679281","Present"
-"3-Chloropropyl disulfide","","","","","","","","","","","","","","","","","","","","bis(3-chloropropyl)disulfide","","C(CSSCCCCl)CCl","GRSMNCKPBGIIFY-UHFFFAOYSA-N","355642",NA,"PDBC20575","609694","Present"
-"3-Chloropyrido[1,2-a]benzimidazole-1,4-dicarbonitrile","","","","","","","","","","","","","","","","","","","","3-Chloropyrido[1,2-a]benzimidazole-1,4-dicarbonitrile","","C1=CC=C2C(=C1)N=C3N2C(=CC(=C3C#N)Cl)C#N","XKZVBIMEOHLGAK-UHFFFAOYSA-N","378325",NA,"PDBC20576","660334","Present"
-"3-Chloroquinolin-8-amine","","","","","","","","","","","","","","","","","","","","FCH886597","","C1=CC2=CC(=CN=C2C(=C1)N)Cl","JADNCHDIIRDJRU-UHFFFAOYSA-N","384170",NA,"PDBC20577","673461","Present"
-"3-Chloroquinolin-8-ol","","","","","","","","","","","","","","","","","","","","FCH1155889","","C1=CC2=CC(=CN=C2C(=C1)O)Cl","JMXAPFATOSQMSP-UHFFFAOYSA-N","384166",NA,"PDBC20578","673457","Present"
-"3-Cinnolinecarboxylic acid, 4-amino-6-chloro-, hydrate","","","","","","","","","","","","","","","","","","","","AS-66483","","C1=CC2=C(C=C1Cl)C(=C(N=N2)C(=O)O)N","HAKAGWNOVFLFAZ-UHFFFAOYSA-N","495817",NA,"PDBC20579","669310","Present"
-"3-Cyano-2-oxo-N,3-diphenylpropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-2-oxo-N,3-diphenylpropanamide","","C1=CC=C(C=C1)C(C#N)C(=O)C(=O)NC2=CC=CC=C2","CZICASJWDGLBRP-UHFFFAOYSA-N","359176",NA,"PDBC20580","619856","Present"
-"3-Cyano-3,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxybutyl)-1-piperazinecarbodithioate","","","","","","","","","","","","","","","","","","","","3-cyano-3,3-diphenylpropyl 4-(4-[(11aS)-7-methoxy-5-oxo-...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4CCN(CC4)C(=S)SCCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6","YFXJRUFVZVFRIW-HKBQPEDESA-N","45028822",NA,"PDBC20581","744470","Present"
-"3-Cyano-3,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropyl)-1-piperazinecarbodithioate","","","","","","","","","","","","","","","","","","","","3-cyano-3,3-diphenylpropyl 4-(3-[(11aS)-7-methoxy-5-oxo-...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4CCN(CC4)C(=S)SCCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6","OFPUBDPPVJXQNW-PMERELPUSA-N","45028821",NA,"PDBC20582","744469","Present"
-"3-Cyano-3-(2,6-dichlorophenyl)-N-(2-ethylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-3-(2,6-dichlorophenyl)-N-(2-ethylphenyl)-2-oxopropanamide","","CCC1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=C(C=CC=C2Cl)Cl","MWQKCTYWMYREPV-UHFFFAOYSA-N","358517",NA,"PDBC20583","618525","Present"
-"3-Cyano-3-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-3-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC(=C(C=C3)Cl)Cl","ZHAWBQJIDJILLG-UHFFFAOYSA-N","361016",NA,"PDBC20584","623749","Present"
-"3-Cyano-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-3-phenylpropanamide","","CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CC(C#N)(C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC","PRLDFVDPGIRSKK-UHFFFAOYSA-N","392647",NA,"PDBC20585","693226","Present"
-"3-Cyano-3-(4-(cyanomethyl)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-3-(4-(cyanomethyl)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC=C(C=C3)CC#N","SSNCMUGEXPABSD-UHFFFAOYSA-N","361007",NA,"PDBC20586","623740","Present"
-"3-Cyano-3-(4-(hydroxy(oxido)amino)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-3-(4-(hydroxy(oxido)amino)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]","FSYUBUCFECOFOM-UHFFFAOYSA-N","361005",NA,"PDBC20587","623737","Present"
-"3-Cyano-4,4-diphenyl-3-butenoic acid","","","","","","","","","","","","","","","","","","","","3-Cyano-4,4-diphenyl-3-butenoic acid","","C1=CC=C(C=C1)C(=C(CC(=O)O)C#N)C2=CC=CC=C2","JKSPHSCBVXOCEF-UHFFFAOYSA-N","304312",NA,"PDBC20588","195952","Present"
-"3-Cyano-4,6-dimethyl-2-pyridinyl benzoyldithiocarbamate","","","","","","","","","","","","","","","","","","","","3-Cyano-4,6-dimethyl-2-pyridinyl benzoyldithiocarbamate","","CC1=CC(=NC(=C1C#N)SC(=S)NC(=O)C2=CC=CC=C2)C","VJJIEGWDMALMNC-UHFFFAOYSA-N","3005435",NA,"PDBC20589","699980","Present"
-"3-Cyano-6-methyl-2-oxo-4-(4-pyridyl)-3,4-dihydro-1H-pyridine-5-carboxamide","","","","","","","","","","","","","","","","","","","","3-Cyano-6-methyl-2-oxo-4-(4-pyridyl)-3,4-dihydro-1H-pyridine-5-carboxamide","","CC1=C(C(C(C(=O)N1)C#N)C2=CC=NC=C2)C(=O)N","WREULXJEYTTZIG-UHFFFAOYSA-N","394199",NA,"PDBC20590","697474","Present"
-"3-Cyano-8-chloro-4-imino-2-methyl thio pyrimido[2,1-b]benzothiazole","","","","","","","","","","","","","","","","","","","","3-Cyano-8-chloro-4-imino-2-methyl thio pyrimido[2,1-b]be...","","CSC1=C(C(=N)N2C3=C(C=C(C=C3)Cl)SC2=N1)C#N","DBXRPBBLKKNERM-UHFFFAOYSA-N","45029244",NA,"PDBC20591","745689","Present"
-"3-Cyano-N,3-bis(2-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-N,3-bis(2-methylphenyl)-2-oxopropanamide","","CC1=CC=CC=C1C(C#N)C(=O)C(=O)NC2=CC=CC=C2C","IAZIHVVQHJXLFB-UHFFFAOYSA-N","366970",NA,"PDBC20592","636132","Present"
-"3-Cyano-N-(2,6-dichlorophenyl)-2-oxo-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-N-(2,6-dichlorophenyl)-2-oxo-3-phenylpropanamide","","C1=CC=C(C=C1)C(C#N)C(=O)C(=O)NC2=C(C=CC=C2Cl)Cl","VQBQSLBZEBNTBU-UHFFFAOYSA-N","360292",NA,"PDBC20593","622327","Present"
-"3-Cyano-N-(2,6-dimethylphenyl)-2-oxo-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-N-(2,6-dimethylphenyl)-2-oxo-3-phenylpropanamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C#N)C2=CC=CC=C2","URXKGWJADXWZPL-UHFFFAOYSA-N","366632",NA,"PDBC20594","635307","Present"
-"3-Cyano-N-(2-methoxyphenyl)-5,5-dimethyl-2,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-N-(2-methoxyphenyl)-5,5-dimethyl-2,6-dioxohexanamide","","CC(C)(CC(C#N)C(=O)C(=O)NC1=CC=CC=C1OC)C=O","XNUNYRGHHQDACP-UHFFFAOYSA-N","372909",NA,"PDBC20595","648621","Present"
-"3-Cyano-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)-2-oxopropanamide","","CC1=C(C=C(C=C1)NC(=O)C(=O)C(C#N)C2=CC=CC=C2C)C","GVZGQQVHTBXQPU-UHFFFAOYSA-N","366967",NA,"PDBC20596","636129","Present"
-"3-Cyano-N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-(1-naphthyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-(1-naphthyl)-2-oxopropanamide","","CC(C)C1=C2C(=CC=C1)SC(=N2)NC(=O)C(=O)C(C#N)C3=CC=CC4=CC=CC=C43","XWHKGNANWURYLQ-UHFFFAOYSA-N","360716",NA,"PDBC20597","623052","Present"
-"3-Cyano-N-(4-nitro-thiazol-2-yl)-2-oxo-3-o-tolyl-propionamide","","","","","","","","","","","","","","","","","","","","3-Cyano-N-(4-nitro-thiazol-2-yl)-2-oxo-3-o-tolyl-propionamide","","CC1=CC=CC=C1C(C#N)C(=O)C(=O)NC2=NC(=CS2)[N+](=O)[O-]","FCDFNDOGLWRWSQ-UHFFFAOYSA-N","366973",NA,"PDBC20598","636135","Present"
-"3-Cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5,5-dimethyl-2,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5,5-dimethyl-2,6-dioxohexanamide","","CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(CC(C)(C)C=O)C#N","SGVGPNDCXOUEIX-UHFFFAOYSA-N","369790",NA,"PDBC20599","641877","Present"
-"3-Cyano-N-[3-[(3-cyano-2-oxo-3-phenylpropanoyl)amino]propyl]-2-oxo-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","3-Cyano-N-[3-[(3-cyano-2-oxo-3-phenylpropanoyl)amino]propyl]-2-oxo-3-phenylpropanamide","","C1=CC=C(C=C1)C(C#N)C(=O)C(=O)NCCCNC(=O)C(=O)C(C#N)C2=CC=CC=C2","YNKPRQXUJNCTDR-UHFFFAOYSA-N","365044",NA,"PDBC20600","632002","Present"
-"3-Cyano-N~1~,N~1~,N~2~,N~2~-tetraisopropyl-1,2-cubanedicarboxamide","","","","","","","","","","","","","","","","","","","","3-Cyano-N~1~,N~1~,N~2~,N~2~-tetraisopropyl-1,2-cubanedicarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5(C4C3C25C(=O)N(C(C)C)C(C)C)C#N","IWZOZEDYLBRHMM-UHFFFAOYSA-N","369214",NA,"PDBC20601","640920","Present"
-"3-Cyclohexyl-2-cyclohexylimino-5-methyl-6H-pyrimido[5,4-e][1,3]thiazine-4,7-dione","","","","","","","","","","","","","","","","","","","","(2z)-3-Cyclohexyl-2-cyclohexylimino-5-methyl-6h-pyrimido[5,4-e][1,3]thiazine-4,7-dione","","CC1=C2C(=NC(=O)N1)SC(=NC3CCCCC3)N(C2=O)C4CCCCC4","YQYIREHOOOWOJK-UHFFFAOYSA-N","392192",NA,"PDBC20602","692319","Present"
-"3-Cyclohexyl-2-cyclohexylimino-6-phenyl-1,3,5-oxadiazine-4-thione","","","","","","","","","","","","","","","","","","","","3-Cyclohexyl-2-cyclohexylimino-6-phenyl-1,3,5-oxadiazine-4-thione","","C1CCC(CC1)N=C2N(C(=S)N=C(O2)C3=CC=CC=C3)C4CCCCC4","QRHQIOYWEQJXOH-UHFFFAOYSA-N","332594",NA,"PDBC20603","330271","Present"
-"3-Cyclohexyl-6-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboximidamide","","","","","","","","","","","","","","","","","","","","3-Cyclohexyl-6-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboximidamide","","C1CCC(CC1)N2CC(=C(N)N)C(=O)NC2=O","HVVZEHWLAGVCMI-UHFFFAOYSA-N","367238",NA,"PDBC20604","636781","Present"
-"3-Cyclohexyl-6-methyl-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Cyclohexyl-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(C(=C2N1C(=O)N(N=N2)C3CCCCC3)C#N)C4=CC=CC=C4","QJWRIJBKIIIXEG-UHFFFAOYSA-N","398638",NA,"PDBC20605","708788","Present"
-"3-Cyclohexylaminopropionic acid","","","","","","","","","","","","","","","","","","","","ACM4441503","","C1CCC(CC1)NCCC(=O)O","ATFRXUJCSMOJPH-UHFFFAOYSA-N","33631",NA,"PDBC20606","62840","Present"
-"3-Cyclopentyl-1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)propan-1-one hydrazone","","","","","","","","","","","","","","","","","","","","3-Cyclopentyl-1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)propan-1-one hydrazone","","CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)C(=NN)CCC4CCCC4)C)[N+](=O)[O-]","IENGGWHOXBUMFT-BWAHOGKJSA-N","5928560",NA,"PDBC20607","652559","Present"
-"3-Cyclopropyl-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-Cyclopropyl-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide","","C1CC1N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","UQPMYMOEHIGOMO-UHFFFAOYSA-N","401420",NA,"PDBC20608","715072","Present"
-"3-Cyclopropyl-6-methyl-6-phenyl-1,3-oxazinane;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC683441","","CC1(CCN(CO1)C2CC2)C3=CC=CC=C3.Cl","XAQTWGGAALADOA-UHFFFAOYSA-N","388486",NA,"PDBC20609","683441","Present"
-"3-Deazaneplanocin hydrochloride","","","","","","","","","","","","","","","","","","","","3-Deazaneplanocin, hydrochloride","","C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N.Cl","UNSKMHKAFPRFTI-UHFFFAOYSA-N","358176",NA,"PDBC20610","617989","Present"
-"3-Demethyl-3-butyrylthiocolchicine","","","","","","","","","","","","","","","","","","","","3-Demethyl-3-butyrylthiocolchicine","","CCCC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC","NXMUVIPICRBKOW-UHFFFAOYSA-N","379108",NA,"PDBC20611","663322","Present"
-"3-Demethyl-3-ethoxycarbonylthiocolchicine","","","","","","","","","","","","","","","","","","","","3-Demethyl-3-ethoxycarbonylthiocolchicine","","CCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC","LDZKAGVVCFBEMQ-UHFFFAOYSA-N","379107",NA,"PDBC20612","663321","Present"
-"3-Demethylcolchicine glucoside","","","","","","","","","","","","","","","","","","","","NSC624672","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O","UXAFRQPVHYZDED-LYNOBXBUSA-N","6711380",NA,"PDBC20613","624672","Present"
-"3-Deoxy-3-homo-3-aza-allobetuline","","","","","","","","","","","","","","","","","","","","3-Deoxy-3-homo-3-aza-allobetuline","","CC1(CCC23CCC4(C(C2C1OC3)CCC5C4(CCC6C5(CCCNC6(C)C)C)C)C)C","GWYRRAMNYUIBCP-FCUUOACXSA-N","155808517",NA,"PDBC20614","797792","Present"
-"3-Deoxyestradiol","","","","","","","","","","","","","","","","","","","","3-deoxyestradiol","","CC12CCC3C(C1CCC2O)CCC4=CC=CC=C34","MUENRDYXOADTOC-ZBRFXRBCSA-N","228944",NA,"PDBC20615","22194","Present"
-"3-Desmethylcolchicine","","","","","","","","","","","","","","","","","","","","3-desmethylcolchicine","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O","JRRUSQGIRBEMRN-HNNXBMFYSA-N","299664",NA,"PDBC20616","172946","Present"
-"3-Diazoacetyl-2-oxo-1-phenylpyrrolidine","","","","","","","","","","","","","","","","","","","","2-Diazonio-1-(2-oxo-1-phenylpyrrolidin-3-yl)ethenolate","","C1CN(C(=O)C1C(=O)C=[N+]=[N-])C2=CC=CC=C2","FSRWUQGEVMLKDK-UHFFFAOYSA-N","379164",NA,"PDBC20617","663577","Present"
-"3-Dibenzofuran-2-ylpropan-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC89110","","C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)CCCN.Cl","RXDPWZFOACYHDS-UHFFFAOYSA-N","24189402",NA,"PDBC20618","89110","Present"
-"3-Diethoxyphosphoryl-5-methyl-tetrahydrofuran-2-one","","","","","","","","","","","","","","","","","","","","3-Diethoxyphosphoryl-5-methyl-tetrahydrofuran-2-one","","CCOP(=O)(C1CC(OC1=O)C)OCC","OMDRJFRRFUFZOJ-UHFFFAOYSA-N","364161",NA,"PDBC20619","629861","Present"
-"3-Diethoxyphosphoryloxepan-2-one","","","","","","","","","","","","","","","","","","","","3-Diethoxyphosphoryloxepan-2-one","","CCOP(=O)(C1CCCCOC1=O)OCC","NFCOPOOIZJQDFG-UHFFFAOYSA-N","364163",NA,"PDBC20620","629863","Present"
-"3-Diethylaminomethylene-1,5-diphenyl-pyrrolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Diethylaminomethylene-1,5-diphenyl-pyrrolidine-2,4-dione","","CCN(CC)C=C1C(=O)C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3","PMPGPTXYPGZLSW-SDXDJHTJSA-N","3003590",NA,"PDBC20621","663783","Present"
-"3-Diethylphosphono-6-hydroxycoumarin","","","","","","","","","","","","","","","","","","","","3-Diethylphosphono-6-hydroxycoumarin","","CCOP(=O)(C1=CC2=C(C=CC(=C2)O)OC1=O)OCC","UTDNFPGHLMHWTI-UHFFFAOYSA-N","378257",NA,"PDBC20622","660150","Present"
-"3-Dihydro-11-H-13-Se-phenyl-grosheimin","","","","","","","","","","","","","","","","","","","","3-dihydro-11-H-13-Se-phenyl-grosheimin","","CC1C(CC2C1C3C(C(CC2=C)O)C(C(=O)O3)C[Se]C4=CC=CC=C4)O","GABZCNHHQVXIDF-VDZMJTJWSA-N","359198",NA,"PDBC20623","619902","Present"
-"3-Diisopropoxyphosphoryl-1-(4-nitrophenyl)-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","STL322832","","CC(C)OP(=O)(C1=NN(C=N1)C2=CC=C(C=C2)[N+](=O)[O-])OC(C)C","OATAHRIDEFAELC-UHFFFAOYSA-N","374416",NA,"PDBC20624","652127","Present"
-"3-Diisopropoxyphosphoryl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3-Diisopropoxyphosphoryl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazole","","CC(C)OP(=O)(C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])OC(C)C","UPXBTFNHXFWZBI-UHFFFAOYSA-N","374417",NA,"PDBC20625","652128","Present"
-"3-Dimethoxyphosphoryl-2-dimethoxyphosphorylcarbonyl-5-methyl-1-(4-nitrophenyl)-3-[2-(4-nitrophenyl)hydrazino]-1,2,4-triazinan-6-one","","","","","","","","","","","","","","","","","","","","3-Dimethoxyphosphoryl-2-dimethoxyphosphorylcarbonyl-5-methyl-1-(4-nitrophenyl)-3-[2-(4-nitrophenyl)hydrazinyl]-1,2,4-triazinan-6-one","","CC1C(=O)N(N(C(N1)(NNC2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC)OC)C(=O)P(=O)(OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]","FEHYWTBLIWHZHQ-UHFFFAOYSA-N","5096099",NA,"PDBC20626","652135","Present"
-"3-Dimethylamino-2-phenylpropiophenone hydrochloride","","","","","","","","","","","","","","","","","","","",".beta.-Dimethylamino-.alpha.-phenylpropiophenone hydroch...","","CN(C)CC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl","BLOKTSBTOMCITO-UHFFFAOYSA-N","91378",NA,"PDBC20627","33548","Present"
-"3-Dimethylaminopropyl cyclohexyl(1-propynyl)glycolate","","","","","","","","","","","","","","","","","","","","LS-56874","","CC#CC(C1CCCCC1)(C(=O)OCCCN(C)C)O","TZFUGGVANCSYFO-UHFFFAOYSA-N","380288",NA,"PDBC20628","665768","Present"
-"3-Dimethylcarbamimidoyl-1,1-dimethyl-thiourea","","","","","","","","","","","","","","","","","","","","3-Dimethylcarbamimidoyl-1,1-dimethyl-thiourea","","CN(C)C(=NC(=S)N(C)C)N","DWZODODCYURGCP-UHFFFAOYSA-N","9569877",NA,"PDBC20629","622659","Present"
-"3-Diphenylboranyloxy-1,2-dimethyl-pyridin-4-one","","","","","","","","","","","","","","","","","","","","3-Diphenylboranyloxy-1,2-dimethyl-pyridin-4-one","","","","",NA,"PDBC20630","627775","Present"
-"3-Diphenylboranyloxy-2-methyl-1H-pyridin-4-one","","","","","","","","","","","","","","","","","","","","3-Diphenylboranyloxy-2-methyl-1H-pyridin-4-one","","","","",NA,"PDBC20631","627774","Present"
-"3-Dipropylarsanylsulfanylpropane-1,2-diol","","","","","","","","","","","","","","","","","","","","S-(dipropylarsino)-3-mercapto-1,2-propanediol","","CCC[As](CCC)SCC(CO)O","PITSAYCDYJYBJS-UHFFFAOYSA-N","406477",NA,"PDBC20632","724598","Present"
-"3-Dodecanoyl-4-hydroxy-6-methyl-pyran-2-one","","","","","","","","","","","","","","","","","","","","3-Dodecanoyl-4-hydroxy-6-methyl-pyran-2-one","","CCCCCCCCCCCC(=O)C1=C(C=C(OC1=O)C)O","LTADLMJNGHICOX-UHFFFAOYSA-N","54695445",NA,"PDBC20633","610687","Present"
-"3-Dodecyl-2-[(1E,3Z)-3-(3-dodecyl-4-methyl-1,3-thiazol-2(3H)-ylidene)prop-1-en-1-yl]-4-methyl-1,3-thiazol-3-ium iodide","","","","","","","","","","","","","","","","","","","","Thiazolium, 3-dodecyl-2-[3-(3-dodecyl-4-methyl-2(3H)-thi...","","CCCCCCCCCCCCN1C(=CSC1=CC=CC2=[N+](C(=CS2)C)CCCCCCCCCCCC)C.[I-]","OHKPRPRZEFEPLM-UHFFFAOYSA-M","54607442",NA,"PDBC20634","290161","Present"
-"3-Dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecyl-2-thienyl)-2-thienyl]-2-thienyl]-2-thienyl]-2-[5-[5-(3-dodecyl-2-thienyl)-2-thienyl]-2-thienyl]thiophene","","","","","","","","","","","","","","","","","","","","3-Dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene","","CCCCCCCCCCCCC1=C(SC=C1)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=C(S4)C5=CC(=C(S5)C6=CC=C(S6)C7=CC=C(S7)C8=C(C=CS8)CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC","CHALGSZHEKMIFE-UHFFFAOYSA-N","389752",NA,"PDBC20635","686348","Present"
-"3-Epi-Elisabanolide","","","","","","","","","","","","","","","","","","","","3-epi-Elisabanolide","","CC1CCC2C(CC3C2(C1=O)C(=O)C4(C3C(OC4=O)(C)C)C)C","LUSIDMIZRMEVBC-IFEIQORVSA-N","10615518",NA,"PDBC20636","734920","Present"
-"3-Epimacronine","","","","","","","","","","","","","","","","","","","","3-Epimacronine","","CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(=O)O2)OCO5","YEISBJOTHHFANE-NJVUAGGXSA-N","375117",NA,"PDBC20637","654241","Present"
-"3-Ethoxy-1-isoindolinone","","","","","","","","","","","","","","","","","","","","AN-967/15488241","","CCOC1C2=CC=CC=C2C(=O)N1","GRVRISZZPGQITQ-UHFFFAOYSA-N","378324",NA,"PDBC20638","660333","Present"
-"3-Ethoxycarbonyl-N-trifluoroacetylthiocolchicine","","","","","","","","","","","","","","","","","","","","3-Ethoxycarbonyl-N-trifluoroacetylthiocolchicine","","CCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C(F)(F)F)OC)OC","GARIEDXBHKTNKL-UHFFFAOYSA-N","379109",NA,"PDBC20639","663323","Present"
-"3-Ethyl-1-(p-tolylsulfonyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide","","","","","","","","","","","","","","","","","","","","3-Ethyl-1-(p-tolylsulfonyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide","","CCC1=NN(C2=C1CS(=O)(=O)CC2)S(=O)(=O)C3=CC=C(C=C3)C","ZNPSDLALNKGEQY-UHFFFAOYSA-N","395047",NA,"PDBC20640","699231","Present"
-"3-Ethyl-1-azabicyclo[2.2.2]octane","","","","","","","","","","","","","","","","","","","","3-Ethyl-1-azabicyclo[2.2.2]octane","","CCC1CN2CCC1CC2","FLUIXHDAPSRKHQ-UHFFFAOYSA-N","359210",NA,"PDBC20641","619919","Present"
-"3-Ethyl-1-hydroxynaphtho[2',3':4,5]furo[2,3-c]pyridine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Ethyl-1-hydroxynaphtho[2',3':4,5]furo[2,3-c]pyridine-4-carboxylic acid","","CCC1=C(C2=C(C(=O)N1)OC3=CC4=CC=CC=C4C=C32)C(=O)O","YMEIBEYKNUUBDD-UHFFFAOYSA-N","378987",NA,"PDBC20642","662579","Present"
-"3-Ethyl-1-methyl-2-propylquinolin-4(1H)-imine","","","","","","","","","","","","","","","","","","","","NSC766427","","CCCC1=C(C(=N)C2=CC=CC=C2N1C)CC","JAPBALWUJAIERZ-UHFFFAOYSA-N","659146",NA,"PDBC20643","766427","Present"
-"3-Ethyl-2,7-dimethyl[1]benzofuro[2,3-c]pyridin-1(2H)-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-2,7-dimethyl[1]benzofuro[2,3-c]pyridin-1(2H)-one","","CCC1=CC2=C(C(=O)N1C)OC3=C2C=CC(=C3)C","UKYZEQCRLDTMPY-UHFFFAOYSA-N","378993",NA,"PDBC20644","662585","Present"
-"3-Ethyl-2-((4-methylphenyl)sulfonyl)-2-azabicyclo[2.2.2]oct-5-ene","","","","","","","","","","","","","","","","","","","","3-Ethyl-2-((4-methylphenyl)sulfonyl)-2-azabicyclo[2.2.2]oct-5-ene","","CCC1C2CCC(N1S(=O)(=O)C3=CC=C(C=C3)C)C=C2","VUNDHLBRNALYJS-UHFFFAOYSA-N","364718",NA,"PDBC20645","631376","Present"
-"3-Ethyl-2-imino-[1,3,5]thiadiazino[3,2-a]benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-2-imino-[1,3,5]thiadiazino[3,2-a]benzimidazol-4-one","","CCN1C(=N)SC2=NC3=CC=CC=C3N2C1=O","SQVAJZQVSQNTQC-UHFFFAOYSA-N","353111",NA,"PDBC20646","600269","Present"
-"3-Ethyl-2-methyl-1,5,6,7-tetrahydro-4H-indol-4-one (3-ethyl-2-methyl-1,5,6,7-tetrahydro-4H-indol-4-ylidene)hydrazone","","","","","","","","","","","","","","","","","","","","(E)-3-Ethyl-N-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-2-methyl-1,5,6,7-tetrahydroindol-4-imine","","CCC1=C(NC2=C1C(=NN=C3CCCC4=C3C(=C(N4)C)CC)CCC2)C","YIRVPPMRSJQVBD-FQHZWJPGSA-N","135429982",NA,"PDBC20647","629808","Present"
-"3-Ethyl-2-methyl-3H-[1,2,4]triazino[6,1-b]quinazoline-4,10-dione","","","","","","","","","","","","","","","","","","","","3-Ethyl-2-methyl-3H-[1,2,4]triazino[6,1-b]quinazoline-4,10-dione","","CCN1C(=NN2C(=NC3=CC=CC=C3C2=O)C1=O)C","BWBUQQDZYNCYJK-UHFFFAOYSA-N","370450",NA,"PDBC20648","643546","Present"
-"3-Ethyl-2-methyl-3a,9a-dihydrobenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-Ethyl-2-methyl-3a,9a-dihydro-1H-naphtho[2,3-d]imidazole-4,9-dione","","CCN1C2C(C(=O)C3=CC=CC=C3C2=O)N=C1C","HXAKIKRBEUKEFI-UHFFFAOYSA-N","373181",NA,"PDBC20649","649130","Present"
-"3-Ethyl-3-nitropentane-1,5-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC680507","","CCC(CCN)(CCN)[N+](=O)[O-].Cl","QJNCBBFMFGHGEI-UHFFFAOYSA-N","387111",NA,"PDBC20650","680507","Present"
-"3-Ethyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1CCO","JOJJQFJYTCCDLE-UHFFFAOYSA-N","389497",NA,"PDBC20651","685783","Present"
-"3-Ethyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1N=CC2=C(C=CC3=CC=CC=C32)O","XUKUKFOUKQSITG-CXUHLZMHSA-N","135493982",NA,"PDBC20652","687209","Present"
-"3-Ethyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1N=CC2=CC=CC=C2O","SIGSHOBINRFVAZ-KPKJPENVSA-N","135505140",NA,"PDBC20653","687208","Present"
-"3-Ethyl-4-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1N=C(C)C2=CC=C(C=C2)[N+](=O)[O-]","BEBDRRHWAQIOIW-OVCLIPMQSA-N","9572170",NA,"PDBC20654","706413","Present"
-"3-Ethyl-4-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1N=C(C)C2=CC=CC=C2","DMEXIJZPEXEDEJ-OQLLNIDSSA-N","5502892",NA,"PDBC20655","706411","Present"
-"3-Ethyl-4-[(E)-[4-[(E)-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-[(E)-[4-[(E)-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1N=CC2=CC=C(C=C2)C=NN3C(=NNC3=O)CC","SSVDUAOPDHZHAW-BEQMOXJMSA-N","54611477",NA,"PDBC20656","706418","Present"
-"3-Ethyl-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione","","CCC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]","PMXWOBPRURIZSU-CXUHLZMHSA-N","9570062",NA,"PDBC20657","638049","Present"
-"3-Ethyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1N=CC2=CC=C(C=C2)C","VEOAWUOCQUFUTB-MDWZMJQESA-N","9556228",NA,"PDBC20658","680863","Present"
-"3-Ethyl-4-[12-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)dodecyl]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-[12-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)dodecyl]-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1CCCCCCCCCCCCN2C(=NNC2=O)CC","AQNDBNVYIAGBKV-UHFFFAOYSA-N","387571",NA,"PDBC20659","681528","Present"
-"3-Ethyl-4-[8-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)octyl]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-[8-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)octyl]-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1CCCCCCCCN2C(=NNC2=O)CC","HHFKWGKKTALDNW-UHFFFAOYSA-N","387570",NA,"PDBC20660","681527","Present"
-"3-Ethyl-4-hydroxy-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-4-hydroxy-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1O","DLKVZLSWJCDUCC-UHFFFAOYSA-N","387261",NA,"PDBC20661","680857","Present"
-"3-Ethyl-5,8-dimethoxy-1-propyl-3,4-dihydro-1H-naphthalen-2-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-5,8-dimethoxy-1-propyl-3,4-dihydro-1H-naphthalen-2-one","","CCCC1C(=O)C(CC2=C(C=CC(=C12)OC)OC)CC","MCWXWQDNMMQRJM-UHFFFAOYSA-N","359520",NA,"PDBC20662","620503","Present"
-"3-Ethyl-5-methylindolizidine","","","","","","","","","","","","","","","","","","","","QTKAOBFOSUKTSE-UHFFFAOYSA-N","","CCC1CCC2N1C(CCC2)C","QTKAOBFOSUKTSE-UHFFFAOYSA-N","370508",NA,"PDBC20663","643729","Present"
-"3-Ethyl-6-[5-(2-nitrophenyl)furan-2-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-Ethyl-6-[5-(2-nitrophenyl)furan-2-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","CCC1=NN=C2N1N=C(S2)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]","HETGDUMQAZVRKI-UHFFFAOYSA-N","399718",NA,"PDBC20664","710764","Present"
-"3-Ethyl-6-fluoro-2-quinoxalinol","","","","","","","","","","","","","","","","","","","","3-Ethyl-6-fluoro-2-quinoxalinol","","CCC1=NC2=C(C=CC(=C2)F)NC1=O","RWOJJWCVYVCXSN-UHFFFAOYSA-N","389438",NA,"PDBC20665","685520","Present"
-"3-Ethyl-6-hydroxy-3,12-dimethyl-pyrano[2,3-c]acridin-7-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-6-hydroxy-3,12-dimethyl-pyrano[2,3-c]acridin-7-one","","CCC1(C=CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)C","YBQWDYCLMNKQGB-UHFFFAOYSA-N","5465788",NA,"PDBC20666","662130","Present"
-"3-Ethyl-6-methoxy-3,12-dimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one","","","","","","","","","","","","","","","","","","","","3-Ethyl-6-methoxy-3,12-dimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one","","CCC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C","PKUQXCJIJWWZFK-UHFFFAOYSA-N","378813",NA,"PDBC20667","662131","Present"
-"3-Ethyl-7-(trifluoromethyl)quinoxalin-2-ol","","","","","","","","","","","","","","","","","","","","3-Ethyl-7-(trifluoromethyl)quinoxalin-2-ol","","CCC1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O","ACSPKHXQZGBQGL-UHFFFAOYSA-N","389437",NA,"PDBC20668","685519","Present"
-"3-Ethyl-7-hydroxy-6-[2-imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]-4,8-dimethylchromen-2-one","","","","","","","","","","","","","","","","","","","","3-ethyl-7-hydroxy-6-(2-imino-4-(4-methoxyphenyl)thiazol-...","","CCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)N3C(=CSC3=N)C4=CC=C(C=C4)OC)C","ZXDPAHWKHDXZAY-UHFFFAOYSA-N","155816508",NA,"PDBC20669","793897","Present"
-"3-Ethyl-9,10-dimethoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine;hydrobromide","","","","","","","","","","","","","","","","","","","","3-Ethyl-9,10-dimethoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine;hydrobromide///NSC134754","","CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC=CC=C5CCN4.Br","LYAPWXJZNZBLBH-UHFFFAOYSA-N","54604246",NA,"PDBC20670","134753///134754","Present"
-"3-Ethylcholanthrene","","","","","","","","","","","","","","","","","","","","3-ethylcholanthrene","","CCC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1","NZZUNDKOLHKMCK-UHFFFAOYSA-N","95723",NA,"PDBC20671","30979","Present"
-"3-Ethylnaphtho[2',3':4,5]furo[2,3-c]pyridin-1-ol","","","","","","","","","","","","","","","","","","","","3-Ethylnaphtho[2',3':4,5]furo[2,3-c]pyridin-1-ol","","CCC1=CC2=C(C(=O)N1)OC3=CC4=CC=CC=C4C=C32","DQIQNDMRJTXGMP-UHFFFAOYSA-N","378986",NA,"PDBC20672","662578","Present"
-"3-Ethylpyrazolium-trans-tetrachlorobis-3- ethylpyrazoler...","","","","","","","","","","","","","","","","","","","","3-Ethylpyrazolium-trans-tetrachlorobis-3- ethylpyrazoler...","","","","",NA,"PDBC20673","630127","Present"
-"3-Ethylpyrimidinium-trans-tetrachlorobis(3-ethylpyridine...","","","","","","","","","","","","","","","","","","","","3-Ethylpyrimidinium-trans-tetrachlorobis(3-ethylpyridine...","","","","",NA,"PDBC20674","630115","Present"
-"3-Ethylsulfanyl-1,1-diphenyl-2-benzothiophen-3-ylium tetrafluoroborate","","","","","","","","","","","","","","","","","","","","3-Ethylsulfanyl-1,1-diphenyl-2-benzothiophen-3-ylium tetrafluoroborate","","","","",NA,"PDBC20675","659467","Present"
-"3-Ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5,10-dihydrobenzo[g]quinolin-2-one","","","","","","","","","","","","","","","","","","","","3-Ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5,10-dihydrobenzo[g]quinolin-2-one","","CCSC1=C(C2=C(CC3=CC=CC=C3C2)N(C1=O)CC4=CC=C(C=C4)OC)C","AXVJIKRFOIRHKR-UHFFFAOYSA-N","397435",NA,"PDBC20676","705293","Present"
-"3-Ethylsulfanyl-7-phenyl-5H-pyrazolo[3,4-e][1,2,4]triazine","","","","","","","","","","","","","","","","","","","","3-Ethylsulfanyl-7-phenyl-5H-pyrazolo[3,4-e][1,2,4]triazine","","CCSC1=NC2=C(C(=NN2)C3=CC=CC=C3)N=N1","HJQXAZAXZKVKPB-UHFFFAOYSA-N","6711507",NA,"PDBC20677","629486","Present"
-"3-Ethylsulfanyl-N,N-bis(3-ethylsulfanylpropyl)propan-1-amine","","","","","","","","","","","","","","","","","","","","3-Ethylsulfanyl-N,N-bis(3-ethylsulfanylpropyl)propan-1-amine","","CCSCCCN(CCCSCC)CCCSCC","ZIDLCNFPTORJAZ-UHFFFAOYSA-N","373738",NA,"PDBC20678","650637","Present"
-"3-Ferrocenylpropionic acid","","","","","","","","","","","","","","","","","","","","3-Ferrocenylpropionic acid","","","","",NA,"PDBC20679","608976","Present"
-"3-Fluoro-1,2-phenylene bis(3-hydroxybenzoate)","","","","","","","","","","","","","","","","","","","","WZB117","","C1=CC(=CC(=C1)O)C(=O)OC2=C(C(=CC=C2)F)OC(=O)C3=CC(=CC=C3)O","FRSWCCBXIHFKKY-UHFFFAOYSA-N","46830365",NA,"PDBC20680","750937","Present"
-"3-Fluoro-1-adamantanecarboxamide","","","","","","","","","","","","","","","","","","","","3-Fluoro-1-adamantanecarboxamide","","C1C2CC3(CC1CC(C2)(C3)F)C(=O)N","FDBCIAOKTXUPKU-UHFFFAOYSA-N","371824",NA,"PDBC20681","646341","Present"
-"3-Fluoro-2-(naphthalen-2-ylcarbonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","NSC171259","","C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(C=CC=C3F)C(=O)O","NMIQJZPPFGDGRR-UHFFFAOYSA-N","282459",NA,"PDBC20682","171259","Present"
-"3-Fluoro-5a,6-dihydrochromeno[2,3-b]indol-11-ol","","","","","","","","","","","","","","","","","","","","3-Fluoro-5a,6-dihydrochromeno[2,3-b]indol-11-ol","","C1=CC=C2C(=C1)C3=C(C4=C(C=C(C=C4)F)OC3N2)O","IGNRBEGJYUHUPX-UHFFFAOYSA-N","397743",NA,"PDBC20683","706166","Present"
-"3-Fluoro-6-[3-[(2-hydroxyethyl)amino]propyl]-5H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione","","","","","","","","","","","","","","","","","","","","3-fluoro-6-(3-((2-hydroxyethyl)amino)propyl)-5H-[1,3]dio...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)F)C(=O)N4CCCNCCO","YFHMWOJCGJARKT-UHFFFAOYSA-N","122484905",NA,"PDBC20684","781517","Present"
-"3-Fluoro-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","3-fluoro-N-(3-((4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyraz...","","COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCCNS(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5","ATESBWWGIDMHLN-UHFFFAOYSA-N","155810995",NA,"PDBC20685","783553","Present"
-"3-Fluoroadamantane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","LS-14971","","C1C2CC3(CC1CC(C2)(C3)F)C(=O)O","SJULXDNAWKQQEV-UHFFFAOYSA-N","13431",NA,"PDBC20686","646340","Present"
-"3-Fluorobenzaldehydeisonicotinoylhydrazone","","","","","","","","","","","","","","","","","","","","N'-[(1E)-(3-Fluorophenyl)methylene]isonicotinohydrazide","","C1=CC(=CC(=C1)F)C=NNC(=O)C2=CC=NC=C2","IRBHNKPBXBJIAJ-CXUHLZMHSA-N","6791533",NA,"PDBC20687","624738","Present"
-"3-Formyl-5,6-dimethyl-1H-indazole-7-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Formyl-5,6-dimethyl-1H-indazole-7-carbonitrile","","CC1=CC2=C(NN=C2C(=C1C)C#N)C=O","CSGNFEGYYYRZJU-UHFFFAOYSA-N","364122",NA,"PDBC20688","629791","Present"
-"3-Formyl-8,8-dimethylbicyclo[3.2.1]octan-2-one","","","","","","","","","","","","","","","","","","","","3-Formyl-8,8-dimethylbicyclo[3.2.1]octan-2-one","","CC1(C2CCC1C(=O)C(C2)C=O)C","LNGFSNVHOAMMOV-UHFFFAOYSA-N","376778",NA,"PDBC20689","657838","Present"
-"3-Formylrifamycin SV O-(diphenylmethyl)oxime","","","","","","","","","","","","","","","","","","","","AF 05","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NOC(C5=CC=CC=C5)C6=CC=CC=C6)C","ZGOGYVJXKPGNCZ-ZIRMBHETSA-N","135545718",NA,"PDBC20690","143471","Present"
-"3-Formylrifamycin SV O-octyloxime","","","","","","","","","","","","","","","","","","","","AF 013","","CCCCCCCCON=CC1=C2C(=C3C(=C1O)C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)N2)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","DTEDDHSJILGOKQ-IRYZJJILSA-N","135534679",NA,"PDBC20691","143483","Present"
-"3-Furancarbothioamide, N-(4-chloro-3-((1,1-dimethylethoxy)methyl)phenyl)-2-methyl-","","","","","","","","","","","","","","","","","","","","3-Furancarboxamide, N-[4-chloro-3-[(1,1-dimethyl ethoxy)...","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)COC(C)(C)C","CMBPPBPDHAZOMK-UHFFFAOYSA-N","3000947",NA,"PDBC20692","645124","Present"
-"3-Furancarbothioamide, N-(4-methoxy-3-(2-propenyloxy)phenyl)-2-methyl-","","","","","","","","","","","","","","","","","","","","3-Furancarbothioamide, N-[4-methoxy-3-(2-propenyloxy) ph...","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)OC)OCC=C","MEAQEWKWEUTTNV-UHFFFAOYSA-N","3000889",NA,"PDBC20693","650064","Present"
-"3-Furancarbothioamide, [[3-(2-butenoxy)-4-methoxyphenyl]-2-methyl-","","","","","","","","","","","","","","","","","","","","3-Furancarbothioamide, [[3-(2-butenoxy)-4-methoxyphenyl]...","","CC=CCOC1=C(C=CC(=C1)NC(=S)C2=C(OC=C2)C)OC","QGAMPXMFWLQPFR-SNAWJCMRSA-N","5917193",NA,"PDBC20694","650065","Present"
-"3-Genistein-8-C-glucoside","","","","","","","","","","","","","","","","","","","","3-Genistein-8-C-glucoside","","C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)O","HIWJJOYYZFELEZ-UHFFFAOYSA-N","5472471",NA,"PDBC20695","719159","Present"
-"3-Glc-Glc, 28-Ara-Rha-Xyl medicagenic acid","","","","","","","","","","","","","","","","","","","","3-Glc-Glc, 28-Ara-Rha-Xyl medicagenic acid","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O","DCYZCKREPYMGOG-AHMKISQGSA-N","6711870",NA,"PDBC20696","645590","Present"
-"3-GlcA, 28-Ara-Rha-Xyl medicagenic acid","","","","","","","","","","","","","","","","","","","","3-GlcA, 28-Ara-Rha-Xyl medicagenic acid","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)N)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O","RCKIBKSEWLGMBT-LFYBZWAXSA-N","6711869",NA,"PDBC20697","645589","Present"
-"3-HYDROXY-3-(4-PYRIDYL)PROPIOPHENONE","","","","","","","","","","","","","","","","","","","","3-HYDROXY-3-(4-PYRIDYL)PROPIOPHENONE","","C1=CC=C(C=C1)C(=O)CC(C2=CC=NC=C2)O","GMYRGNADPRBJJK-UHFFFAOYSA-N","219450",NA,"PDBC20698","796","Present"
-"3-Hexenediamide","","","","","","","","","","","","","","","","","","","",".beta.-Hydromuconamide","","C(C=CCC(=O)N)C(=O)N","MQNQJAWLPVZCKN-OWOJBTEDSA-N","5458982",NA,"PDBC20699","516382","Present"
-"3-Hexenedioic acid","","","","","","","","","","","","","","","","","","","","trans-.beta.-Hydromuconic acid","","C(C=CCC(=O)O)C(=O)O","YHGNXQAFNHCBTK-OWOJBTEDSA-N","5351896",NA,"PDBC20700","84221","Present"
-"3-Hexyl-5-methyloctahydroindolizine","","","","","","","","","","","","","","","","","","","","3-Hexyl-5-methyloctahydroindolizine","","CCCCCCC1CCC2N1C(CCC2)C","FXVLYQQDXQNTHV-UHFFFAOYSA-N","370509",NA,"PDBC20701","643730","Present"
-"3-Hydrazino-N-(2-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","BB 0243165","","COC1=CC=CC=C1NC(=O)CC(=O)NN","DITYLVOVXJXGLN-UHFFFAOYSA-N","385914",NA,"PDBC20702","677376","Present"
-"3-Hydrazino-N-(4-((4-((3-hydrazino-3-oxopropanoyl)amino)phenyl)sulfonyl)phenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-Hydrazino-N-(4-((4-((3-hydrazino-3-oxopropanoyl)amino)phenyl)sulfonyl)phenyl)-3-oxopropanamide","","C1=CC(=CC=C1NC(=O)CC(=O)NN)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC(=O)NN","QRIYXFZYKFSAOR-UHFFFAOYSA-N","389698",NA,"PDBC20703","686242","Present"
-"3-Hydrazinyl-4H-1,2,4-triazol-4-amine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC166130","","C1=NN=C(N1N)NN.Cl","QSNKDYVIRQPVMY-UHFFFAOYSA-N","51051846",NA,"PDBC20704","166130","Present"
-"3-Hydrazinyl-N-(3-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","STK497580","","COC1=CC=CC(=C1)NC(=O)CC(=O)NN","LYWRJHUYQBWTGK-UHFFFAOYSA-N","385915",NA,"PDBC20705","677377","Present"
-"3-Hydrazinyl-N-(4-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","STK498032","","COC1=CC=C(C=C1)NC(=O)CC(=O)NN","DYDLQRQMRISETI-UHFFFAOYSA-N","385916",NA,"PDBC20706","677378","Present"
-"3-Hydrazono-3H-indol-2-yl 3-chlorophenylcarbamate","","","","","","","","","","","","","","","","","","","","3-Hydrazono-3H-indol-2-yl 3-chlorophenylcarbamate","","C1=CC=C2C(=C1)C(=C(N2)OC(=O)NC3=CC(=CC=C3)Cl)N=N","RFMBRBHUXHXBEM-UHFFFAOYSA-N","330946",NA,"PDBC20707","320852","Present"
-"3-Hydrazono-3H-indol-2-yl phenylcarbamate","","","","","","","","","","","","","","","","","","","","3-Hydrazono-3H-indol-2-yl phenylcarbamate","","C1=CC=C(C=C1)NC(=O)OC2=C(C3=CC=CC=C3N2)N=N","QTEGQYSEWHDRHU-UHFFFAOYSA-N","332363",NA,"PDBC20708","329070","Present"
-"3-Hydroxy-1,10-dimethylacridin-9-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-1,10-dimethylacridin-9-one","","CC1=CC(=CC2=C1C(=O)C3=CC=CC=C3N2C)O","VLBQIHNGBSEGKV-UHFFFAOYSA-N","5386484",NA,"PDBC20709","611701","Present"
-"3-Hydroxy-1,3-diphenyl-2,3,3a,10a-tetrahydrocyclopenta[c][1]benzazepine-4,10(1H,5H)-dione","","","","","","","","","","","","","","","","","","","","3-Hydroxy-1,3-diphenyl-2,3,3a,10a-tetrahydrocyclopenta[c][1]benzazepine-4,10(1H,5H)-dione","","C1C(C2C(C1(C3=CC=CC=C3)O)C(=O)NC4=CC=CC=C4C2=O)C5=CC=CC=C5","UZEGZIRZTKQDJC-UHFFFAOYSA-N","381187",NA,"PDBC20710","667518","Present"
-"3-Hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4(1h)-one","","","","","","","","","","","","","","","","","","","","4(1H)-Pyridinone, 3-hydroxy-1-(2-hydroxyethyl)-2-methyl-","","CC1=C(C(=O)C=CN1CCO)O","ZJDRWNJIMXVJQG-UHFFFAOYSA-N","94414",NA,"PDBC20711","353638","Present"
-"3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propan-1-one","","","","","","","","","","","","","","","","","","","","1-(4-Hydroxy-3-methoxyphenyl)-3-hydroxy-2-(2-methoxyphen...","","COC1=CC=CC=C1OC(CO)C(=O)C2=CC(=C(C=C2)O)OC","BUJCVBRLTBAYCW-UHFFFAOYSA-N","369618",NA,"PDBC20712","641529","Present"
-"3-Hydroxy-1-(4-hydroxy-5-methyl-2-oxo-2H-1-benzopyran-3-yl)-3-methylbutan-2-yl acetate","","","","","","","","","","","","","","","","","","","","3-Hydroxy-1-(4-hydroxy-5-methyl-2-oxo-2H-1-benzopyran-3-yl)-3-methylbutan-2-yl acetate","","CC1=C2C(=CC=C1)OC(=O)C(=C2O)CC(C(C)(C)O)OC(=O)C","OQCKBRDJMIBKJT-UHFFFAOYSA-N","54681653",NA,"PDBC20713","666102","Present"
-"3-Hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-methylpyridin-4-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-1-[2-(1h-indol-3-yl)ethyl]-2-methylpyridin-4(1h)-one","","CC1=C(C(=O)C=CN1CCC2=CNC3=CC=CC=C32)O","PDRMLQUZIPZYNJ-UHFFFAOYSA-N","404685",NA,"PDBC20714","721124","Present"
-"3-Hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyridin-4-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyridin-4(1h)-one","","CC1=C(C(=O)C=CN1CCC2=CC=C(C=C2)O)O","OKMOMGQUUUJZAH-UHFFFAOYSA-N","404687",NA,"PDBC20715","721126","Present"
-"3-Hydroxy-1-methyl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-1-methyl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one","","CN1C(CC(C1=O)O)C2=CC=CC=C2C(F)(F)F","IKIUFKHZYWSXDN-UHFFFAOYSA-N","389893",NA,"PDBC20716","686529","Present"
-"3-Hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one","","CN1C(CC(C1=O)O)C2=CC(=CC=C2)C(F)(F)F","QJKDAUDCBYTNLA-UHFFFAOYSA-N","389894",NA,"PDBC20717","686530","Present"
-"3-Hydroxy-1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one","","CN1C(CC(C1=O)O)C2=CC=C(C=C2)C(F)(F)F","OFYLBFGHWLJHGD-UHFFFAOYSA-N","389895",NA,"PDBC20718","686531","Present"
-"3-Hydroxy-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Hydroxy-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C2C(=C1)NC3=C(C(=CC(=O)N23)O)C#N","YAQRUNWOGJVLEW-UHFFFAOYSA-N","54681630",NA,"PDBC20719","659482","Present"
-"3-Hydroxy-1-oxo-2-((2-pyrimidinylimino)methyl)-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Hydroxy-1-oxo-2-((2-pyrimidinylimino)methyl)-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","C1=CC=C2C(=C1)NC3=C(C(=C(C(=O)N23)C=NC4=NC=CC=N4)O)C#N","QYTLWFUJWBQAMW-ZVBGSRNCSA-N","135499413",NA,"PDBC20720","659487","Present"
-"3-Hydroxy-1-pent-4-enoyl-2-styryl-2,3-dihydropyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","3-hydroxy-1-pent-4-enoyl-2-styryl-2,3-dihydropyridin-4(1...","","C=CCCC(=O)N1C=CC(=O)C(C1C=CC2=CC=CC=C2)O","GKUUOQZOWCUQPE-WAEFQUTISA-N","54613209",NA,"PDBC20721","750007","Present"
-"3-Hydroxy-1-pentofuranosylpyridin-2(1H)-one--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridin-2-one;hydrochloride","","C1=CN(C(=O)C(=C1)O)C2C(C(C(O2)CO)O)O.Cl","KIQFCOYKMVTABG-UHFFFAOYSA-N","24200115",NA,"PDBC20722","359265","Present"
-"3-Hydroxy-10-fluoro-5.6-dihydro-6-imino-isoindolo[2,1a]quinoxaline","","","","","","","","","","","","","","","","","","","","3-Hydroxy-10-fluoro-5.6-dihydro-6-imino-isoindolo[2,1a]q...","","C1=CC2=C3C(=NC4=C(N3C=C2C(=C1)F)C=CC(=C4)O)N","HIGXPJTZQHKUND-UHFFFAOYSA-N","60147954",NA,"PDBC20723","753221","Present"
-"3-Hydroxy-12-isopropylpodocarpa-8,13-triene","","","","","","","","","","","","","","","","","","","","3-hydroxy-12-isopropylpodocarpa-8,11,13-triene","","CC1CCC2(C(C1(C)C)CCC3=C2C=C(C=C3)C(C)C)C","NDHKDVPCEWFXSW-NIGAHDQZSA-N","405047",NA,"PDBC20724","721891","Present"
-"3-Hydroxy-16(4'-N,3,5(10)-estratriene","","","","","","","","","","","","","","","","","","","","3-Hydroxy-16(4'-N,N-dimethylaminobenzylidene)-17-oxo-1,3...","","CC12CCC3C(C1CC(=CC4=CC=C(C=C4)N(C)C)C2=O)CCC5=C3C=CC(=C5)O","ZDWWQQXXGWLFMH-OJRHLSPFSA-N","5470643",NA,"PDBC20725","703822","Present"
-"3-Hydroxy-16(4'-pyridylmethylene)-17-oxo-1,5(10)-estratriene","","","","","","","","","","","","","","","","","","","","3-Hydroxy-16(4'-pyridylmethylene)-17-oxo-1,3,5(10)-estra...","","CC12CCC3C(C1CC(=CC4=CC=NC=C4)C2=O)CCC5=C3C=CC(=C5)O","HINKGPCPTZTWOD-NDVBANHNSA-N","5470644",NA,"PDBC20726","703823","Present"
-"3-Hydroxy-16-(3,5-trimethoxybenzylidene)-17-oxo-1,3,5(10)-estratriene","","","","","","","","","","","","","","","","","","","","3-Hydroxy-16-(3,4,5-trimethoxybenzylidene)-17-oxo-1,3,5(...","","CC12CCC3C(C1CC(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O)CCC5=C3C=CC(=C5)O","SXBNEFMSOXFIIQ-RRXXRVPNSA-N","5470445",NA,"PDBC20727","701817","Present"
-"3-Hydroxy-16-(p-cyanobenzylidene)-17-oxo-1,5(10)-estratriene","","","","","","","","","","","","","","","","","","","","3-Hydroxy-16-(p-cyanobenzylidene)-17-oxo-1,3,5(10)-estra...","","CC12CCC3C(C1CC(=CC4=CC=C(C=C4)C#N)C2=O)CCC5=C3C=CC(=C5)O","LUKDNWYHZQGYSX-DCEJIWEGSA-N","5470447",NA,"PDBC20728","701819","Present"
-"3-Hydroxy-16-(p-nitrobenzylidene)-17-oxo-1,5(10)-estratriene","","","","","","","","","","","","","","","","","","","","3-Hydroxy-16-(p-nitrobenzylidene)-17-oxo-1,3,5(10)-estra...","","CC12CCC3C(C1CC(=CC4=CC=C(C=C4)[N+](=O)[O-])C2=O)CCC5=C3C=CC(=C5)O","IEUHJCLQQRTQKI-KAJLVOKLSA-N","5470446",NA,"PDBC20729","701818","Present"
-"3-Hydroxy-2,2,3a-trimethyl-1-oxido-4,5,6,7-tetrahydrobenzimidazol-1-ium","","","","","","","","","","","","","","","","","","","","2,2,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol 3-oxide","","CC1(N(C2(CCCCC2=[N+]1[O-])C)O)C","YESLSCWAYAUZSL-UHFFFAOYSA-N","379383",NA,"PDBC20730","663925","Present"
-"3-Hydroxy-2,2,4,4-tetramethyl-5-methylene-1-imidazolidinecarbaldehyde","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2,2,4,4-tetramethyl-5-methylene-1-imidazolidinecarbaldehyde","","CC1(C(=C)N(C(N1O)(C)C)C=O)C","VLJZUPMHYLYUJK-UHFFFAOYSA-N","379377",NA,"PDBC20731","663920","Present"
-"3-Hydroxy-2,2,6-trimethyl-3,4-dihydro-2H,5H-pyrano[2,3-b]chromen-5-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2,2,6-trimethyl-3,4-dihydro-2H,5H-pyrano[2,3-b]chromen-5-one","","CC1=C2C(=CC=C1)OC3=C(C2=O)CC(C(O3)(C)C)O","YZOIJOQBCKWHFJ-UHFFFAOYSA-N","380977",NA,"PDBC20732","666853","Present"
-"3-Hydroxy-2,2,7,7-tetramethylcyclohept-5-ene-1,4-dione","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2,2,7,7-tetramethylcyclohept-5-ene-1,4-dione","","CC1(C=CC(=O)C(C(C1=O)(C)C)O)C","PXQDZCALRJLKKY-UHFFFAOYSA-N","398341",NA,"PDBC20733","708061","Present"
-"3-Hydroxy-2,3-dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2,3-dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one","","COC1(C(C(=O)C2=CC=CC=C2O1)(O)OC)C3=CC=CC=C3","LSDQPHGAMNDNCK-UHFFFAOYSA-N","262390",NA,"PDBC20734","95848","Present"
-"3-Hydroxy-2-(((4-methylphenyl)thio)acetyl)-2-cyclohexen-1-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-(((4-methylphenyl)thio)acetyl)-2-cyclohexen-1-one","","CC1=CC=C(C=C1)SCC(=C2C(=O)CCCC2=O)O","XKECGPCUFHWQDA-UHFFFAOYSA-N","365034",NA,"PDBC20735","631969","Present"
-"3-Hydroxy-2-(2,4,6-trimethoxyphenyl)chromen-4-one","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 3-hydroxy- 2-(2,4,6-trimethoxyphe...","","COC1=CC(=C(C(=C1)OC)C2=C(C(=O)C3=CC=CC=C3O2)O)OC","VXUQKRREWQZEQR-UHFFFAOYSA-N","254343",NA,"PDBC20736","78634","Present"
-"3-Hydroxy-2-(3-nitrophenyl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-(3-nitrophenyl)quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])O","RAZQHGQZUWOGQY-UHFFFAOYSA-N","342898",NA,"PDBC20737","380804","Present"
-"3-Hydroxy-2-(5-methyl-4-hexenoyl)benzyl acetate","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-(5-methyl-4-hexenoyl)benzyl acetate","","CC(=CCCC(=O)C1=C(C=CC=C1O)COC(=O)C)C","RFTZQMIDFYAFSM-UHFFFAOYSA-N","380976",NA,"PDBC20738","666852","Present"
-"3-Hydroxy-2-(p-tolylsulfonylcarbamoylamino)propanoic acid","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-(p-tolylsulfonylcarbamoylamino)propanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CO)C(=O)O","YJOYEIRYJDOKCG-UHFFFAOYSA-N","396489",NA,"PDBC20739","702673","Present"
-"3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid","","","","","","","","","","","","","","","","","","","","Serine, N-(p-tolylsulfonyl)-, DL-","","CC1=CC=C(C=C1)S(=O)(=O)NC(CO)C(=O)O","SBKRCXFSPMKXAU-UHFFFAOYSA-N","283773",NA,"PDBC20740","138971","Present"
-"3-Hydroxy-2-[(4-methylphenyl)sulfonylcarbamoylamino]butanoic acid","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-(p-tolylsulfonylcarbamoylamino)butanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C(C)O)C(=O)O","ZJTYPCQGSPYOBB-UHFFFAOYSA-N","396490",NA,"PDBC20741","702674","Present"
-"3-Hydroxy-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid","","CC(C(C(=O)O)N=CC1=C(OC(=N1)C2=CC=CC=C2)O)O","UTHSHRVQAXDSKR-UHFFFAOYSA-N","373578",NA,"PDBC20742","650031","Present"
-"3-Hydroxy-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]propanoic acid","","C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CO)C(=O)O","GRYDFBCJFODOCY-UHFFFAOYSA-N","373577",NA,"PDBC20743","650030","Present"
-"3-Hydroxy-2-[3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-3-phenyl-propyl]-5,5-dimethyl-cyclohex-2-en-1-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-[3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-phenylpropyl]-5,5-dimethylcyclohex-2-en-1-one","","CC1(CC(=C(C(=O)C1)C(CC(C2=CC=CC=C2)C3=CC4=C(C=C3O)OCO4)C5=C(CC(CC5=O)(C)C)O)O)C","GGFYLGOVTXUTSO-UHFFFAOYSA-N","379198",NA,"PDBC20744","663610","Present"
-"3-Hydroxy-2-isopropyl-4,4,4-trifluoro-3-trifluoromethylbutyraldehyde","","","","","","","","","","","","","","","","","","","","LS-47550","","CC(C)C(C=O)C(C(F)(F)F)(C(F)(F)F)O","OJZOHRDXAXKWNF-UHFFFAOYSA-N","379447",NA,"PDBC20745","663995","Present"
-"3-Hydroxy-2-methyl-1-oxido-4,5-diphenyl-2,4-dihydroimidazol-1-ium","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-methyl-1-oxido-4,5-diphenyl-2,4-dihydroimidazol-1-ium","","CC1N(C(C(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)O","RZHJTANZVWNKCT-UHFFFAOYSA-N","390087",NA,"PDBC20746","687030","Present"
-"3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-2-methyl-pyridin-4-one","","CC1=C(C(=O)C=CN1C2C(C(C(O2)CO)O)O)O","RYWYYPYGPHEYCG-UHFFFAOYSA-N","336835",NA,"PDBC20747","352375","Present"
-"3-Hydroxy-2-methyl-2,3-dihydropyran-4-one","","","","","","","","","","","","","","","","","","","","1,5-Anhydro-2,6-dideoxyhex-1-en-3-ulose","","CC1C(C(=O)C=CO1)O","PCECDTGFEXTFNO-UHFFFAOYSA-N","360936",NA,"PDBC20748","623648","Present"
-"3-Hydroxy-2-naphtho-o-phenetidide","","","","","","","","","","","","","","","","","","","","azotol of","","CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O","NXIGDUAONGBUKR-UHFFFAOYSA-N","66716",NA,"PDBC20749","50681","Present"
-"3-Hydroxy-2-phenyl-1H-phenalen-1-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-phenyl-1H-phenalen-1-one","","C1=CC=C(C=C1)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)O","LVSVQSJLQSCHRK-UHFFFAOYSA-N","375813",NA,"PDBC20750","655975","Present"
-"3-Hydroxy-2-phenyl-quinazoline-4-thione","","","","","","","","","","","","","","","","","","","","3-Hydroxy-2-phenyl-quinazoline-4-thione","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=S)N2O","KNLKNECMXAABMH-UHFFFAOYSA-N","389396",NA,"PDBC20751","685462","Present"
-"3-Hydroxy-2-phenylquinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","4(3H)-Quinazolinone, 3-hydroxy-2-phenyl-","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2O","MIMZZMIFKADVDD-UHFFFAOYSA-N","351739",NA,"PDBC20752","522958","Present"
-"3-Hydroxy-3',4',5'-trimethoxyflavone","","","","","","","","","","","","","","","","","","","","3',4',5'-trimethoxy-3-hydroxy flavone","","COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)O","MWFLTXAQDCOKEK-UHFFFAOYSA-N","688827",NA,"PDBC20753","328186","Present"
-"3-Hydroxy-3',4',5,7-tetramethoxyflavone","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3',4',5,7-tetramethoxyflavone","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O)OC","AAASNKNLMQBKFV-UHFFFAOYSA-N","97142",NA,"PDBC20754","102049","Present"
-"3-Hydroxy-3',4'-dimethoxyflavone","","","","","","","","","","","","","","","","","","","","9B35R9JIHA","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O)OC","BXLAVJWSFYZDPF-UHFFFAOYSA-N","97143",NA,"PDBC20755","102051","Present"
-"3-Hydroxy-3'-nitro-2-naphthanilide","","","","","","","","","","","","","","","","","","","","celcot rm","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O","YZJSKRBKHCLMQC-UHFFFAOYSA-N","67277",NA,"PDBC20756","37168","Present"
-"3-Hydroxy-3-(2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-(2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","CC1=C(C2=CC=CC=C2N1)C(=O)CC3(C4=CC=CC=C4NC3=O)O","JGAKLIFHUBFLPQ-UHFFFAOYSA-N","360289",NA,"PDBC20757","622324","Present"
-"3-Hydroxy-3-(2-methoxybenzyl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-(2-methoxybenzyl)-2-benzofuran-1(3H)-one","","COC1=CC=CC=C1CC2(C3=CC=CC=C3C(=O)O2)O","DCCBAYGSMQZONB-UHFFFAOYSA-N","386350",NA,"PDBC20758","678142","Present"
-"3-Hydroxy-3-(2-oxo-1,2-diphenylethyl)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-(2-oxo-1,2-diphenylethyl)-1H-indol-2-one","","C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=CC=CC=C4NC3=O)O","ZPZXEVHIBOVPCZ-UHFFFAOYSA-N","359725",NA,"PDBC20759","621171","Present"
-"3-Hydroxy-3-(2-pyridylmethyl)-2-indolinone","","","","","","","","","","","","","","","","","","","","NSC42448","","C1=CC=C2C(=C1)C(C(=O)N2)(CC3=CC=CC=N3)O","NGKGBFMNFGPGGV-UHFFFAOYSA-N","22733",NA,"PDBC20760","42448","Present"
-"3-Hydroxy-3-(3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-(3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one","","C1C(C(=O)C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)O","NOCIQQVOHNGIRN-UHFFFAOYSA-N","359729",NA,"PDBC20761","621175","Present"
-"3-Hydroxy-3-(3-oxo-1H-isobenzofuran-1-yl)isobenzofuran-1-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-(3-oxo-1H-isobenzofuran-1-yl)isobenzofuran-1-one","","C1=CC=C2C(=C1)C(OC2=O)C3(C4=CC=CC=C4C(=O)O3)O","UCFUMKDKGAZVAP-UHFFFAOYSA-N","395478",NA,"PDBC20762","700119","Present"
-"3-Hydroxy-3-[(2Z)-2-hydroxyimino-2-(2-naphthyl)ethyl]indolin-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-[(2Z)-2-hydroxyimino-2-(2-naphthyl)ethyl]indolin-2-one","","C1=CC=C2C=C(C=CC2=C1)C(=NO)CC3(C4=CC=CC=C4NC3=O)O","JZWCJJYBAYUZIP-PYCFMQQDSA-N","9570046",NA,"PDBC20763","635401","Present"
-"3-Hydroxy-3-[2-(2-naphthyl)-2-oxo-ethyl]-5-nitro-indolin-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-[2-(naphthalen-2-yl)-2-oxoethyl]-5-nitro-1,3-dihydro-2H-indol-2-one","","C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O","UOFZTOWRSSKUNS-UHFFFAOYSA-N","366655",NA,"PDBC20764","635330","Present"
-"3-Hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one","","C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC(=CC=C3)O)O","IHZKJYIVVCJOES-UHFFFAOYSA-N","359731",NA,"PDBC20765","621177","Present"
-"3-Hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one","","C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=C(C=C3)O)O","XAUQAUQQAPIQPR-UHFFFAOYSA-N","360284",NA,"PDBC20766","622318","Present"
-"3-Hydroxy-3-methyl-3H-benzo[f]chromene-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-methyl-3H-benzo[f]chromene-2-carboxamide","","CC1(C(=CC2=C(O1)C=CC3=CC=CC=C32)C(=O)N)O","IICOICQIMMCZSB-UHFFFAOYSA-N","394200",NA,"PDBC20767","697475","Present"
-"3-Hydroxy-3-methyl-5,5-bis(trifluoromethyl)dihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-methyl-5,5-bis(trifluoromethyl)dihydro-2(3H)-furanone","","CC1(CC(OC1=O)(C(F)(F)F)C(F)(F)F)O","SGDBXBCZXTYVII-UHFFFAOYSA-N","377653",NA,"PDBC20768","659233","Present"
-"3-Hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one","","C[Si](C)(C)CN1C(=O)C2=CC=CC=C2C1(C3=CC=CC=C3)O","OEJXWGUNFGNNGO-UHFFFAOYSA-N","359331",NA,"PDBC20769","620116","Present"
-"3-Hydroxy-4,4,4-trifluoro-3-trifluoromethylbutyrophenone oxime","","","","","","","","","","","","","","","","","","","","LS-48455","","C1=CC=C(C=C1)C(=NO)CC(C(F)(F)F)(C(F)(F)F)O","UQVOYAXWHHOBQI-LSCVHKIXSA-N","6069848",NA,"PDBC20770","659227","Present"
-"3-Hydroxy-4-((1-hydroxynaphthalen-2-yl)diazenyl)-7-nitronaphthalene-1-sulfonic acid, sodium sallt","","","","","","","","","","","","","","","","","","","","3-hydroxy-4-((1-hydroxynaphthalen-2-yl)diazenyl)-7-nitro...","","C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C4C=CC=C(C4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-].[Na+]","IDNOXTZGTFLLPH-UHFFFAOYSA-N","135534452",NA,"PDBC20771","85561","Present"
-"3-Hydroxy-4-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid","","C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O","OGDZEWOOSQLJRN-UHFFFAOYSA-N","414379",NA,"PDBC20772","58050","Present"
-"3-Hydroxy-4-(phenylazo)-2-naphthoic acid","","","","","","","","","","","","","","","","","","","","c.i. pigment red 64 (8ci)","","C1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O","DYMRMULFWJUGDJ-UHFFFAOYSA-N","80753",NA,"PDBC20773","11713","Present"
-"3-Hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonic acid, monozinc salt","","","","","","","","","","","","","","","","","","","","1-naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-na...","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O)O.[Zn+2]","UUOBJIGGNUWLDJ-UHFFFAOYSA-N","135436495",NA,"PDBC20774","4203","Present"
-"3-Hydroxy-4-[(3-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-[(3-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide","","C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=CC=C4)[N+](=O)[O-]","QSFJILOAMVJLLT-UHFFFAOYSA-N","239856",NA,"PDBC20775","45595","Present"
-"3-Hydroxy-4-[(4-methyl-2-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-(4-methyl-2-nitrophenylazo)-N-phenyl-2-naphthalenecarboxamide","","CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)O)[N+](=O)[O-]","SMALRPZTMLNUDX-UHFFFAOYSA-N","239754",NA,"PDBC20776","45212","Present"
-"3-Hydroxy-4-[(E)-2-(2-furanyl)ethenyl]-3-cyclopentene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-[(E)-2-(2-furanyl)ethenyl]-3-cyclopentene-1,2-dione","","C1C(=C(C(=O)C1=O)O)C=CC2=CC=CO2","SIEFXHGBBOANTM-ONEGZZNKSA-N","5472316",NA,"PDBC20777","717861","Present"
-"3-Hydroxy-4-[4-[[(2-thiazolyl)amino]sulfonyl]phenylazo]-2-naphthoic acid","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-[4-[[(2-thiazolyl)amino]sulfonyl]phenylazo]-2-naphthoic acid","","C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)O)C(=O)O","SVWTXANWDCROMS-UHFFFAOYSA-N","421464",NA,"PDBC20778","134135","Present"
-"3-Hydroxy-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid","","C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)O)C(=O)O","IJQOXIRNBWKWFP-UHFFFAOYSA-N","421463",NA,"PDBC20779","134134","Present"
-"3-Hydroxy-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid","","C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)O)C(=O)O","ROLANBQXOIOZEH-UHFFFAOYSA-N","421465",NA,"PDBC20780","134136","Present"
-"3-Hydroxy-4-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]diazenyl]naphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-hydroxy-4-((4-(-N-(5-methyl-1,3,4-thiadiazol 2(3H)-yli...","","CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O","UMOBZXXKVLTDIS-UHFFFAOYSA-N","421460",NA,"PDBC20781","134131","Present"
-"3-Hydroxy-4-[[4-[(6-methylpyridin-2-yl)sulfamoyl]phenyl]diazenyl]naphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-[[4-[(6-methylpyridin-2-yl)sulfamoyl]phenyl]diazenyl]naphthalene-2-carboxylic acid","","CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O","ORXXNQOAEAEAQN-UHFFFAOYSA-N","421462",NA,"PDBC20782","134133","Present"
-"3-Hydroxy-4-[morpholino-(4-nitrophenyl)methyl]-1,2-diphenyl-2H-pyrrol-5-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-[morpholino-(4-nitrophenyl)methyl]-1,2-diphenyl-2H-pyrrol-5-one","","C1COCCN1C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O","WUCFWPWMJKDQQM-UHFFFAOYSA-N","54681648",NA,"PDBC20783","663786","Present"
-"3-Hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide","","C1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)N)O","KRDQHAPHILKHGU-UHFFFAOYSA-N","235145",NA,"PDBC20784","36221","Present"
-"3-Hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylic acid","","CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1C(=O)O)CC2O","SRCNKDRSZASSMC-UHFFFAOYSA-N","393381",NA,"PDBC20785","695214","Present"
-"3-Hydroxy-5,6-dihydro-6-imino-8,9-dimethylisoindolo-[2,1-a]quinoxaline","","","","","","","","","","","","","","","","","","","","3-Hydroxy-5,6-dihydro-6-imino-8,9-dimethylisoindolo-[2,1...","","CC1=CC2=CN3C4=C(C=C(C=C4)O)N=C(C3=C2C=C1C)N","VNJLXLIAJUKACY-UHFFFAOYSA-N","60147955",NA,"PDBC20786","753222","Present"
-"3-Hydroxy-5,6-dihydro-6-imino-9-methoxyisoindolo-[2,1-a]quinoxaline","","","","","","","","","","","","","","","","","","","","3-hydroxy-5,6-dihydro-6-imino-9-methoxyisoindolo-[2,1-a]...","","COC1=CC2=CN3C4=C(C=C(C=C4)O)N=C(C3=C2C=C1)N","PXUHYXJETNWRLA-UHFFFAOYSA-N","60147951",NA,"PDBC20787","753218","Present"
-"3-Hydroxy-5,6-dihydrocyclopenta[c]pyrazole-2(4H)-carboximidamide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-5,6-dihydrocyclopenta[c]pyrazole-2(4H)-carboximidamide","","C1CC2=C(C1)NN(C2=O)C(=N)N","QCYLQOXDULJQOC-UHFFFAOYSA-N","380616",NA,"PDBC20788","666291","Present"
-"3-Hydroxy-5-nitro-3-(2-oxo-1,2-diphenyl-ethyl)indolin-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-5-nitro-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one","","C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O","HJNBJRGJCGJFHU-UHFFFAOYSA-N","366754",NA,"PDBC20789","635527","Present"
-"3-Hydroxy-5-nitro-3-(3-oxoindan-1-yl)indolin-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-5-nitro-3-(3-oxo-2,3-dihydro-1H-inden-1-yl)-1,3-dihydro-2H-indol-2-one","","C1C(C2=CC=CC=C2C1=O)C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O","FTUCCNRWNKIWOO-UHFFFAOYSA-N","365368",NA,"PDBC20790","632954","Present"
-"3-Hydroxy-5-nitro-3-[2-oxo-2-(4-pyridyl)ethyl]indolin-2-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-5-nitro-3-[2-oxo-2-(pyridin-4-yl)ethyl]-1,3-dihydro-2H-indol-2-one","","C1=CC2=C(C=C1[N+](=O)[O-])C(C(=O)N2)(CC(=O)C3=CC=NC=C3)O","YLAAGNVVOHQUNG-UHFFFAOYSA-N","366683",NA,"PDBC20791","635400","Present"
-"3-Hydroxy-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyran-4-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyran-4-one","","C1=CC=C(C=C1)C(C2=C(C(=O)C=C(O2)CO)O)O","HLXWZBHLMUUZBQ-UHFFFAOYSA-N","395498",NA,"PDBC20792","700140","Present"
-"3-Hydroxy-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","QN130","","C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=N2)C(=O)O","CECFDSWTAOUYFR-UHFFFAOYSA-N","387922",NA,"PDBC20793","682227","Present"
-"3-Hydroxy-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one","","C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2O","PWXOVFJGQMENIX-UHFFFAOYSA-N","404723",NA,"PDBC20794","721194","Present"
-"3-Hydroxy-6-methyl-2-quinoxalinecarboxylic acid","","","","","","","","","","","","","","","","","","","","ACN-C001137","","CC1=CC2=C(C=C1)N=C(C(=O)N2)C(=O)O","QOCSREIMEAHAJV-UHFFFAOYSA-N","387926",NA,"PDBC20795","682231","Present"
-"3-Hydroxy-7-(trifluoromethyl)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","MB05896","","C1=CC2=C(C=C1C(F)(F)F)N=C(C(=O)N2)C(=O)O","PGHBNLQJQONMKI-UHFFFAOYSA-N","387923",NA,"PDBC20796","682228","Present"
-"3-Hydroxy-7-nitro-1,4-benzotriazine 1-oxide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-7-nitro-1,2,4-benzotriazine 1-oxide","","C1=CC2=NC(=O)N[N+](=C2C=C1[N+](=O)[O-])[O-]","WZYFVLNMNMFAEC-UHFFFAOYSA-N","6711495",NA,"PDBC20797","628907","Present"
-"3-Hydroxy-7-trifluoroacetamido-1,2,4-benzotriazine-1-oxide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-7-trifluoroacetamido-1,2,4-benzotriazine- 1-oxide","","C1=CC2=NC(=O)NN(C2=CC1=NC(=O)C(F)(F)F)O","CJCUIZXXZIXNRE-UHFFFAOYSA-N","494412",NA,"PDBC20798","623604","Present"
-"3-Hydroxy-8,9-dimethoxylisoindolo[2,1a]quinoxalin-6-(5H)-one","","","","","","","","","","","","","","","","","","","","3-hydroxy-8,9-dimethoxylisoindolo[2,1a]quinoxalin-6-(5H)...","","COC1=CC2=CN3C4=C(C=C(C=C4)O)NC(=O)C3=C2C=C1OC","ZOWTUSVWBAYUSE-UHFFFAOYSA-N","60147957",NA,"PDBC20799","753224","Present"
-"3-Hydroxy-8,9-dimethylisoindolo[2,1a]quinoxalin-6-(5H)-one","","","","","","","","","","","","","","","","","","","","3-hydroxy-8,9-dimethylisoindolo[2,1a]quinoxalin-6-(5H)-one","","CC1=CC2=CN3C4=C(C=C(C=C4)O)NC(=O)C3=C2C=C1C","OOFZMVGNPQLOOY-UHFFFAOYSA-N","60147956",NA,"PDBC20800","753223","Present"
-"3-Hydroxy-8-methoxyisoindolo[2,1a]quinoxalin-6-(5H)-one","","","","","","","","","","","","","","","","","","","","3-hydroxy-8-methoxyisoindolo[2,1a]quinoxalin-6-(5H)-one","","COC1=CC2=C3C(=O)NC4=C(N3C=C2C=C1)C=CC(=C4)O","LCMXFTJOHJPNBX-UHFFFAOYSA-N","60147952",NA,"PDBC20801","753219","Present"
-"3-Hydroxy-9-methoxyisoindolo[2,1a]quinoxalin-6(5H)one","","","","","","","","","","","","","","","","","","","","3-hydroxy-9-methoxyisoindolo[2,1a]quinoxalin-6(5H)one","","COC1=CC2=CN3C4=C(C=C(C=C4)O)NC(=O)C3=C2C=C1","HHMQIWLSKCWTIX-UHFFFAOYSA-N","60147950",NA,"PDBC20802","753217","Present"
-"3-Hydroxy-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=O)C=CC3=CC=C(O3)[N+](=O)[O-])O","AIKMRUILKBFKCP-FNORWQNLSA-N","53241629",NA,"PDBC20803","750908","Present"
-"3-Hydroxy-N-(5-(((3-hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyridinyl)carbonyl)amino)pentyl)-1-methyl-2-oxo-1,2-dihydro-4-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-N-[5-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]-1-methyl-2-oxopyridine-4-carboxamide","","CN1C=CC(=C(C1=O)O)C(=O)NCCCCCNC(=O)C2=C(C(=O)N(C=C2)C)O","PTRIKZMKNNEQSG-UHFFFAOYSA-N","391979",NA,"PDBC20804","691701","Present"
-"3-Hydroxy-N-1-naphthyl-2-naphthamide","","","","","","","","","","","","","","","","","","","","celcot rn","","C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3O","QGZGJNPVHADCFM-UHFFFAOYSA-N","67241",NA,"PDBC20805","37202","Present"
-"3-Hydroxy-b,e-caroten-3'-one","","","","","","","","","","","","","","","","","","","","(3R,6'RS)-3-Hydroxy-.beta.,.epsilon.-caroten-3-one","","CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(=O)CC2(C)C)C)C)C","OABQIJAIRYEICK-DKLMTRRASA-N","5471692",NA,"PDBC20806","713075","Present"
-"3-Hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O","TYINNZKCWQSFLU-UHFFFAOYSA-N","235600",NA,"PDBC20807","37186","Present"
-"3-Hydroxycard-20(22)-enolide","","","","","","","","","","","","","","","","","","","","3-Hydroxycard-20(22)-enolide","","CC12CCC(CC1CCC3C2CCC4(C3CCC4C5=CC(=O)OC5)C)O","SNNJOYYRZHOKFM-UHFFFAOYSA-N","267603",NA,"PDBC20808","107129","Present"
-"3-Hydroxyguanine","","","","","","","","","","","","","","","","","","","","Guanine 3-N-oxide","","C1=NC2=C(N1)C(=O)N=C(N2O)N","GUFNQGMGUWTPCE-UHFFFAOYSA-N","87841",NA,"PDBC20809","145425","Present"
-"3-Hydroxynorerythrosuamide, hydrochloride","","","","","","","","","","","","","","","","","","","","3-hydroxynorerythrosuamide, hydrochloride","","CC1C2C(CCC1=CC(=O)OCCNC)C3(CCC(C(C3C(=O)C2O)(C)C(=O)OC)O)C.Cl","KKRBBTDHKXONGZ-XHTWUSOPSA-N","24195306",NA,"PDBC20810","179176","Present"
-"3-Hydroxyphenyl 3-phenylacrylate","","","","","","","","","","","","","","","","","","","","3-Hydroxyphenyl 3-phenylacrylate","","C1=CC=C(C=C1)C=CC(=O)OC2=CC=CC(=C2)O","FBJBXBJXYQABMO-MDZDMXLPSA-N","1234720",NA,"PDBC20811","700128","Present"
-"3-Hydroxythiophene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-hydroxythiophene-2-carboxylic acid","","C1=CSC(=C1O)C(=O)O","RVDUJCGAAPQDBO-UHFFFAOYSA-N","54715543",NA,"PDBC20812","793118","Present"
-"3-Imidazo[1,2-a]pyridin-2-ylchromen-2-one","","","","","","","","","","","","","","","","","","","","TimTec1_008492","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=N3","IXPDWKSPNLAKQU-UHFFFAOYSA-N","397075",NA,"PDBC20813","704388","Present"
-"3-Imino-1,7-dimethyl-5-(3-nitrophenyl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile","","","","","","","","","","","","","","","","","","","","3-Imino-1,7-dimethyl-5-(3-nitrophenyl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile","","CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C","UQYCVIOUEOEUSE-UHFFFAOYSA-N","387805",NA,"PDBC20814","681877","Present"
-"3-Imino-1-methyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile","","","","","","","","","","","","","","","","","","","","3-Imino-1-methyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile","","CC12CC(C(CO1)(C(=N)O2)C#N)(C#N)C#N","DUWGPSUVTOXRII-UHFFFAOYSA-N","387798",NA,"PDBC20815","681870","Present"
-"3-Imino-1-methyl-6-(methylthio)-N-(3-(trifluoromethyl)phenyl)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","1-Methyl-6-methylsulfanyl-4-N-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,4-diamine","","CN1C2=NC(=NC(=C2C(=N1)N)NC3=CC=CC(=C3)C(F)(F)F)SC","CCMDZSIMKMRPIT-UHFFFAOYSA-N","394390",NA,"PDBC20816","697790","Present"
-"3-Imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine","","","","","","","","","","","","","","","","","","","","3-Imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine","","CN1CCC2=C(C1)SC3=C2C(=N)N(C=N3)N","QXQPOYGBGIMFNS-UHFFFAOYSA-N","397284",NA,"PDBC20817","704837","Present"
-"3-Imino-3-phenyl-N-(2-pyridinyl)propanamide","","","","","","","","","","","","","","","","","","","","SC-16910","","C1=CC=C(C=C1)C(=N)CC(=O)NC2=CC=CC=N2","UFVYCZSSUPZFOQ-UHFFFAOYSA-N","271262",NA,"PDBC20818","114724","Present"
-"3-Imino-4-(4-methoxyphenyl)-1-oxo-2,3,4,5,6,7,8,9-octahydro-1H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile","","","","","","","","","","","","","","","","","","","","3-Imino-4-(4-methoxyphenyl)-1-oxo-4,5,6,7,8,9-hexahydropyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile","","COC1=CC=C(C=C1)C2C3(C(=NC(=O)C3(C4=C(N2)CCCC4)C#N)N)C#N","HXZAFDZRTPBTFB-UHFFFAOYSA-N","394337",NA,"PDBC20819","697706","Present"
-"3-Imino-5-(methylthio)-N,1-diphenyl-2,3-dihydro-1H-pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","3-Imino-5-(methylthio)-N,1-diphenyl-2,3-dihydro-1H-pyrazole-4-carboxamide","","CSC1=C(C(=NN1C2=CC=CC=C2)N)C(=O)NC3=CC=CC=C3","VHCTWZUIIJMATE-UHFFFAOYSA-N","392138",NA,"PDBC20820","692018","Present"
-"3-Imino-N,1-dimethyl-6-(methylthio)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","3-Imino-N,1-dimethyl-6-(methylthio)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","CNC1=C2C(=NN(C2=NC(=N1)SC)C)N","VXBFVNYTYBWSSN-UHFFFAOYSA-N","394388",NA,"PDBC20821","697788","Present"
-"3-Imino-N-(3-methoxyphenyl)-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","3-Imino-N-(3-methoxyphenyl)-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide","","COC1=CC=CC(=C1)NC(=O)C2=C(NN=C2SC)N","IFXAVLSBRBMZIY-UHFFFAOYSA-N","390303",NA,"PDBC20822","687595","Present"
-"3-Imino-N-(4-methylphenyl)-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","3-Imino-N-(4-methylphenyl)-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide","","CC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2N)C3=CC=CC=C3)SC","XZOUDIZNKBTFPF-UHFFFAOYSA-N","390314",NA,"PDBC20823","687606","Present"
-"3-Imino-N-(4-methylphenyl)-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","3-Imino-N-(4-methylphenyl)-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide","","CC1=CC=C(C=C1)NC(=O)C2=C(NN=C2SC)N","KWVJPGJPSONSAT-UHFFFAOYSA-N","390312",NA,"PDBC20824","687604","Present"
-"3-Indol-3-yl-2-({N-[(4-methylphenyl)sulfonyl]carbamoyl}amino)propanoic acid","","","","","","","","","","","","","","","","","","","","3-(1H-Indol-3-yl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O","JWCGMXLGWUFMNU-UHFFFAOYSA-N","396497",NA,"PDBC20825","702681","Present"
-"3-Indolizin-2-ylchromen-2-one","","","","","","","","","","","","","","","","","","","","3-Indolizin-2-ylchromen-2-one","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=C3","XFCXTAUASKZNKO-UHFFFAOYSA-N","397574",NA,"PDBC20826","705894","Present"
-"3-Iodo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-Iodo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","C1COS(=O)(=O)C(S(=O)(=O)O1)I","JEPPCENYDCYJIL-UHFFFAOYSA-N","372726",NA,"PDBC20827","648309","Present"
-"3-Iodo-2-(phenylsulfoamino)-tetrahydropyran","","","","","","","","","","","","","","","","","","","","3-Iodo-2-(phenylsulfoamino)-tetrahydropyran","","C1CC(C(OC1)NS(=O)(=O)C2=CC=CC=C2)I","MTVNRSFCYYYLJW-UHFFFAOYSA-N","387213",NA,"PDBC20828","680775","Present"
-"3-Iodo-3-(trimethylsilyl)-2-propen-1-ol","","","","","","","","","","","","","","","","","","","","3-Iodo-3-trimethylsilanyl-prop-2-EN-1-OL","","C[Si](C)(C)C(=CCO)I","GQJOQGBLWIODJQ-GQCTYLIASA-N","5924474",NA,"PDBC20829","617399","Present"
-"3-Iodo-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC665372","","C1CCN(CC1)CCNC(=O)C2=CC(=CC=C2)I.Cl","NHLVQUDOZRTZCW-UHFFFAOYSA-N","380073",NA,"PDBC20830","665372","Present"
-"3-Iodoacetamido-benzoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","3-Iodoacetamido-benzoic acid ethyl ester","","CCOC(=O)C1=CC(=CC=C1)NC(=O)CI","QTBWLWRCDMPJAD-UHFFFAOYSA-N","398530",NA,"PDBC20831","708445","Present"
-"3-Iodoacetamido-benzoylurea","","","","","","","","","","","","","","","","","","","","3-Iodoacetamido-benzoylurea","","C1=CC(=CC(=C1)NC(=O)CI)C(=O)NC(=O)N","MEDDJABHDBMTKW-UHFFFAOYSA-N","398526",NA,"PDBC20832","708441","Present"
-"3-Isopropoxy-2,8,9-trimethoxybenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","3-Isopropoxy-2,8,9-trimethoxybenzo[c]phenanthridine","","CC(C)OC1=C(C=C2C=CC3=C(C2=C1)N=CC4=CC(=C(C=C34)OC)OC)OC","XDWVWFXJKQCGIC-UHFFFAOYSA-N","371232",NA,"PDBC20833","645290","Present"
-"3-Isopropoxy-4-(2-(2,4,5-trimethoxyphenyl)-1,3-dithian-2-yl)-3-cyclobutene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-Isopropoxy-4-(2-(2,4,5-trimethoxyphenyl)-1,3-dithian-2-yl)-3-cyclobutene-1,2-dione","","CC(C)OC1=C(C(=O)C1=O)C2(SCCCS2)C3=CC(=C(C=C3OC)OC)OC","AYHNLGFGIPOYKT-UHFFFAOYSA-N","394555",NA,"PDBC20834","698100","Present"
-"3-Isopropoxy-4-(2-(2-methoxyphenyl)-1,3-dithian-2-yl)-3-cyclobutene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-Isopropoxy-4-(2-(2-methoxyphenyl)-1,3-dithian-2-yl)-3-cyclobutene-1,2-dione","","CC(C)OC1=C(C(=O)C1=O)C2(SCCCS2)C3=CC=CC=C3OC","ZXWYPCKHYUODLL-UHFFFAOYSA-N","394552",NA,"PDBC20835","698097","Present"
-"3-Isopropoxy-4-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)cyclobut-3-ene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-Isopropoxy-4-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)cyclobut-3-ene-1,2-dione","","CC(C)OC1=C(C(=O)C1=O)C2=C(C(=O)C2=O)OC(C)C","DWRQWMINOCNLCA-UHFFFAOYSA-N","389266",NA,"PDBC20836","685019","Present"
-"3-Isopropoxy-6,6a,7,12a-tetrahydrochromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","3-Isopropoxy-6,6a,7,12a-tetrahydrochromeno[4,3-b]chromene","","CC(C)OC1=CC2=C(C=C1)C3C(CC4=CC=CC=C4O3)CO2","WPCRGDLWMQNILC-UHFFFAOYSA-N","387592",NA,"PDBC20837","681601","Present"
-"3-Isopropyl-1-methoxy-1-triazene 2-oxide","","","","","","","","","","","","","","","","","","","","IPA/NO : methyl ether","","CC(C)N=[N+](NOC)[O-]","ABPPGZXBYYLLGF-UHFFFAOYSA-N","6712035",NA,"PDBC20838","653049","Present"
-"3-Isopropyl-1-nitroso-2,6-diphenyl-piperidin-4-one oxime","","","","","","","","","","","","","","","","","","","","3-Isopropyl-1-nitroso-2,6-diphenyl-piperidin-4-one oxime","","CC(C)C1C(N(C(CC1=NO)C2=CC=CC=C2)N=O)C3=CC=CC=C3","OBTBUXZQFKXPLD-HEHNFIMWSA-N","6035687",NA,"PDBC20839","656999","Present"
-"3-Isopropyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one","","","","","","","","","","","","","","","","","","","","3-Isopropyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one","","CC(C)C1C(N(C(CC(=O)N1)C2=CC=CC=C2)N=O)C3=CC=CC=C3","HDJDSSXXUGJKNN-UHFFFAOYSA-N","362613",NA,"PDBC20840","626743","Present"
-"3-Isopropyl-2,4-dimethyl-3-pentanol","","","","","","","","","","","","","","","","","","","","3-Pentanol, 2,4-dimethyl-3-(1-methylethyl)- (9CI)","","CC(C)C(C(C)C)(C(C)C)O","IFXNWIUSZUHIDG-UHFFFAOYSA-N","263675",NA,"PDBC20841","98332","Present"
-"3-Isopropyl-2-(methoxymethyl)-6-methyl-1,3,2-oxazaphosphinane 2-sulfide","","","","","","","","","","","","","","","","","","","","3-Isopropyl-2-(methoxymethyl)-6-methyl-1,3,2-oxazaphosphinane 2-sulfide","","CC1CCN(P(=S)(O1)COC)C(C)C","MYJSWUJHBLEIKZ-UHFFFAOYSA-N","395332",NA,"PDBC20842","699814","Present"
-"3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate","","CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C)C(C)C","YICZBOMOCOUNSS-DJKKODMXSA-N","5470624",NA,"PDBC20843","703751","Present"
-"3-Isopropyl-4-methyl-pentanoic acid 4-decylidene-2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","[(4Z)-4-Decylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate","","CCCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C","CNIXVXXLFHNKNC-STZFKDTASA-N","5470622",NA,"PDBC20844","703749","Present"
-"3-Isopropyl-4-methyl-pentanoic acid 4-hexylidene-2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","[(4Z)-4-Hexylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate","","CCCCCC=C1CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C","SJBCBDAKOWZLGU-YVLHZVERSA-N","5470620",NA,"PDBC20845","703747","Present"
-"3-Isopropyl-6-(trifluoromethyl)-2-quinoxalinol","","","","","","","","","","","","","","","","","","","","3-Isopropyl-6-(trifluoromethyl)-2-quinoxalinol","","CC(C)C1=NC2=C(C=CC(=C2)C(F)(F)F)NC1=O","METLFZHHNBLIOR-UHFFFAOYSA-N","391279",NA,"PDBC20846","690238","Present"
-"3-Isopropyl-7-methyl-2-quinoxalinol","","","","","","","","","","","","","","","","","","","","3-Isopropyl-7-methyl-2-quinoxalinol","","CC1=CC2=C(C=C1)N=C(C(=O)N2)C(C)C","HINRNXVQSAJQDH-UHFFFAOYSA-N","391278",NA,"PDBC20847","690237","Present"
-"3-Isoquinolinecarboxamide,7-dihydroxy-N-(phenylmethyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","3-Isoquinolinecarboxamide, 6,7-dihydroxy-N-(phenylmethyl...","","C1=CC=C(C=C1)CNC(=O)C2=CC3=CC(=C(C=C3C=N2)O)O.Cl","ZAWKQEPOZNGFOD-UHFFFAOYSA-N","135499319",NA,"PDBC20848","651409","Present"
-"3-Isoquinolinecarboxamide,8-dihydroxy-N-(phenylmethyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","3-Isoquinolinecarboxamide, 7,8-dihydroxy-N-(phenylmethyl...","","C1=CC=C(C=C1)CNC(=O)C2=NC=C3C(=C2)C=CC(=C3O)O.Cl","ANRVBDJGFNEUJK-UHFFFAOYSA-N","135499320",NA,"PDBC20849","651410","Present"
-"3-Isoquinolinecarboxylic acid, 7,8-dihydroxy-, methyl ester, hydrochloride","","","","","","","","","","","","","","","","","","","","Isoquinoline-3-carboxylic acid, 7,8-dihydroxy-, methyl e...","","COC(=O)C1=NC=C2C(=C1)C=CC(=C2O)O.Cl","YGQBEVKPTRQMAI-UHFFFAOYSA-N","135499358",NA,"PDBC20850","655247","Present"
-"3-Ketobutyltrimethylammonium iodide","","","","","","","","","","","","","","","","","","","","LS-16948","","CC(=O)CC[N+](C)(C)C.[I-]","GUIWMJZVPUIZPM-UHFFFAOYSA-M","35720",NA,"PDBC20851","638636","Present"
-"3-L-(5-thioxo-L-propyl)thiazolidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-L-(5-thioxo-L-propyl)thiazolidine-4-carboxylic acid","","C1CC(=S)NC1C(=O)N2CSCC2C(=O)O","OIMCSGSSFQEAGC-UHFFFAOYSA-N","3005164",NA,"PDBC20852","678120","Present"
-"3-Mesityl-4,6-dimethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]isoxazole","","","","","","","","","","","","","","","","","","","","3-Mesityl-4,6-dimethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]isoxazole","","CC1=CC(=C(C(=C1)C)C2=NOC3C2C(OC3OC)OC)C","BFBGGXPUCZOTIB-UHFFFAOYSA-N","374544",NA,"PDBC20853","652294","Present"
-"3-Methoxy-1,10-dimethyl-9(10H)-acridinone","","","","","","","","","","","","","","","","","","","","3-Methoxy-1,10-dimethyl-9(10H)-acridinone","","CC1=CC(=CC2=C1C(=O)C3=CC=CC=C3N2C)OC","WGQAVCZHWJUPJR-UHFFFAOYSA-N","378398",NA,"PDBC20854","660816","Present"
-"3-Methoxy-1-[(4-methoxyphenyl)methyl]-4-methylbenzo[g]quinolin-2-one","","","","","","","","","","","","","","","","","","","","3-Methoxy-1-[(4-methoxyphenyl)methyl]-4-methyl-benzo[g]quinolin-2-one","","CC1=C(C(=O)N(C2=CC3=CC=CC=C3C=C12)CC4=CC=C(C=C4)OC)OC","FNTGNQFZDRAANF-UHFFFAOYSA-N","397439",NA,"PDBC20855","705297","Present"
-"3-Methoxy-11,12-dihydrodibenzo[a,e]cycloocten-5(6H)-one","","","","","","","","","","","","","","","","","","","","3-Methoxy-11,12-dihydrodibenzo[a,e]cycloocten-5(6H)-one","","COC1=CC2=C(CCC3=CC=CC=C3CC2=O)C=C1","FDJGBVJXXCDZRA-UHFFFAOYSA-N","375808",NA,"PDBC20856","655970","Present"
-"3-Methoxy-11-nitroso-5,6,6a,7-tetraaza-6aH-benzo[a]fluorene","","","","","","","","","","","","","","","","","","","","3-methoxy-1-nitrosopyrido[3,2:4,5]pyrrolo[1,2-c][1,2,3]b...","","COC1=CC2=C(C=C1)C3=C(C4=C(N3N=N2)N=CC=C4)N=O","CQNHUCFXHWOHSA-UHFFFAOYSA-N","54613484",NA,"PDBC20857","749292","Present"
-"3-Methoxy-16(4'-hydroxy-3'-methoxybenzylidene)-17-oxo-1,5(10)-estratriene","","","","","","","","","","","","","","","","","","","","3-Methoxy-16(4'-hydroxy-3'-methoxybenzylidene)-17-oxo-1,...","","CC12CCC3C(C1CC(=CC4=CC(=C(C=C4)O)OC)C2=O)CCC5=C3C=CC(=C5)OC","CCLHRIFGBTYDNG-KDRPZWMYSA-N","5470642",NA,"PDBC20858","703820","Present"
-"3-Methoxy-16,3,5(10)-estratriene-16,17-dinitrile","","","","","","","","","","","","","","","","","","","","3-Methoxy-16,17-seco-1,3,5(10)-estratriene-16,17-dinitrile","","CC1(CCC2C(C1CC#N)CCC3=C2C=CC(=C3)OC)C#N","VWZHZQGGYJISMT-JWHDQAAXSA-N","375745",NA,"PDBC20859","655767","Present"
-"3-Methoxy-16-(4'-pyridylmethylene)-1,5(10)-estratriene-17beta-ol","","","","","","","","","","","","","","","","","","","","3-methoxy-16-(4'-pyridylmethylene)-1,3,5(10)-estratriene...","","CC12CCC3C(C1CC(=CC4=CC=NC=C4)C2O)CCC5=C3C=CC(=C5)OC","ACXDGABVRSDCLP-DHVCSGBISA-N","5470877",NA,"PDBC20860","706022","Present"
-"3-Methoxy-16-(p-cyanobenzylidene)-17-oxo-1,5(10)-estratriene","","","","","","","","","","","","","","","","","","","","3-Methoxy-16-(p-cyanobenzylidene)-17-oxo-1,3,5(10)-estra...","","CC12CCC3C(C1CC(=CC4=CC=C(C=C4)C#N)C2=O)CCC5=C3C=CC(=C5)OC","NRMJRWMAKLFLKZ-RLGSIZSXSA-N","5470448",NA,"PDBC20861","701820","Present"
-"3-Methoxy-17-hydroxyspiro[estra-1,5(10)-triene-16,1'-cyclohexane]","","","","","","","","","","","","","","","","","","","","3-Methoxy-17-hydroxyspiro[estra-1,3,5(10)-triene-16,1'-c...","","CC12CCC3C(C1CC4(C2O)CCCCC4)CCC5=C3C=CC(=C5)OC","IFCXNXJPRVPWSC-ZQGJOIPISA-N","45028008",NA,"PDBC20862","740562","Present"
-"3-Methoxy-17-oxospiro[estra-1,5(10)-triene-16,1'-cyclohexane]","","","","","","","","","","","","","","","","","","","","3-Methoxy-17-oxospiro[estra-1,3,5(10)-triene-16,1'-cyclo...","","CC12CCC3C(C1CC4(C2=O)CCCCC4)CCC5=C3C=CC(=C5)OC","QTZHSIHCJFMBGA-JFYQVNSESA-N","45027998",NA,"PDBC20863","740539","Present"
-"3-Methoxy-2,5-dithiophen-2-ylthiophene","","","","","","","","","","","","","","","","","","","","2,2':5',2''-Terthiophene, 3'-methoxy-","","COC1=C(SC(=C1)C2=CC=CS2)C3=CC=CS3","YBJPZZBYEHNCSU-UHFFFAOYSA-N","373943",NA,"PDBC20864","650973","Present"
-"3-Methoxy-2-(1-naphthylmethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-Methoxy-2-(1-naphthylmethyl)benzoic acid","","COC1=CC=CC(=C1CC2=CC=CC3=CC=CC=C32)C(=O)O","VRMABUVODPLZQQ-UHFFFAOYSA-N","362074",NA,"PDBC20865","625596","Present"
-"3-Methoxy-2-(methoxycarbonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","XRDBRNRBSFWBBN-UHFFFAOYSA-N","","COC1=CC=CC(=C1C(=O)OC)C(=O)O","XRDBRNRBSFWBBN-UHFFFAOYSA-N","358344",NA,"PDBC20866","618309","Present"
-"3-Methoxy-4',5-dihydroxy-trans-stilbene","","","","","","","","","","","","","","","","","","","","3-methoxyresveratrol","","COC1=CC(=CC(=C1)O)C=CC2=CC=C(C=C2)O","KUWZXOMQXYWKBS-NSCUHMNNSA-N","5473050",NA,"PDBC20867","723532","Present"
-"3-Methoxy-4-benzyloxy-alpha-benzoylcinnamonitrile","","","","","","","","","","","","","","","","","","","","3-Methoxy-4-benzyloxy-.alpha.-benzoylcinnamonitrile","","COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)OCC3=CC=CC=C3","SFIXTJGUMGRISS-KGENOOAVSA-N","6062847",NA,"PDBC20868","643190","Present"
-"3-Methoxy-4-hydroxy-alpha-benzoylcinnamonitrile","","","","","","","","","","","","","","","","","","","","3-Methoxy-4-hydroxy-.alpha.-benzoylcinnamonitrile","","COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)O","TZGGXAVMJNANBG-NTEUORMPSA-N","5345831",NA,"PDBC20869","643183","Present"
-"3-Methoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine","","","","","","","","","","","","","","","","","","","","3-Methoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine","","COC1=CC2=C(C=C1)C3CC4=CC=CC=C4CN3CCC2","NEJKCLCTAREPHX-UHFFFAOYSA-N","384192",NA,"PDBC20870","673598","Present"
-"3-Methoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine","","","","","","","","","","","","","","","","","","","","3-Methoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine","","COC1=CC2=C(C=C1)C3CC4=CC=CC=C4CCN3CC2","SNAKNALELBXYNI-UHFFFAOYSA-N","384199",NA,"PDBC20871","673604","Present"
-"3-Methoxy-5,8-dimethyl-9H-carbazol-1-amine","","","","","","","","","","","","","","","","","","","","3-Methoxy-5,8-dimethyl-9H-carbazol-1-amine","","CC1=C2C3=C(C(=CC(=C3)OC)N)NC2=C(C=C1)C","DDDHCEHBVIIZHW-UHFFFAOYSA-N","374582",NA,"PDBC20872","652555","Present"
-"3-Methoxy-5-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Methoxy-5-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","CN1C2=CC=CC=C2N3C1=C(C(=CC3=O)OC)C#N","UJOOTRLWVWKVKT-UHFFFAOYSA-N","377859",NA,"PDBC20873","659483","Present"
-"3-Methoxy-5-nitro-1-(2-pyridylmethyl)indazole","","","","","","","","","","","","","","","","","","","","3-Methoxy-5-nitro-1-(2-pyridylmethyl)indazole","","COC1=NN(C2=C1C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=N3","GDAVZEGSTKQDTH-UHFFFAOYSA-N","386343",NA,"PDBC20874","678126","Present"
-"3-Methoxy-5H-10-fluoro-isoindolo[2,1-A]quinoxalin-6-one","","","","","","","","","","","","","","","","","","","","3- METHOXY-5H-10-FLUORO-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE","","COC1=CC2=C(C=C1)N3C=C4C(=C3C(=O)N2)C=CC=C4F","JPYMQJSBXAEVGD-UHFFFAOYSA-N","54612825",NA,"PDBC20875","747521","Present"
-"3-Methoxy-5H-8-methoxy-isoindolo[2,1-A]quinoxalin-6-one","","","","","","","","","","","","","","","","","","","","3- METHOXY-5H-8-METHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE","","COC1=CC2=C3C(=O)NC4=C(N3C=C2C=C1)C=CC(=C4)OC","KUWBJYLEYHPKQQ-UHFFFAOYSA-N","54612826",NA,"PDBC20876","747522","Present"
-"3-Methoxy-5H-9-methoxy-isoindolo[2,1-A]quinoxalin-6-one","","","","","","","","","","","","","","","","","","","","3- METHOXY-5H-9-METHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE","","COC1=CC2=CN3C4=C(C=C(C=C4)OC)NC(=O)C3=C2C=C1","HGAHKZJDPQSSQB-UHFFFAOYSA-N","54612827",NA,"PDBC20877","747523","Present"
-"3-Methoxy-6,13-dihydrobenzo[h][1,3]dioxolo[4,5-b]acridin-7(5h)-one","","","","","","","","","","","","","","","","","","","","17-Methoxy-6,8-dioxa-12-azapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14(19),15,17-heptaen-2-one","","COC1=CC2=C(C=C1)C3=C(CC2)C(=O)C4=CC5=C(C=C4N3)OCO5","HNSQFZFAXOKNHP-UHFFFAOYSA-N","374408",NA,"PDBC20878","652118","Present"
-"3-Methoxy-6,6a-dihydropyrido[3',4':3,4]pyrrolo[1,2-a]quinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","5-Methoxy-1,13-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,11(16),12,14-hexaene-8,17-dione","","COC1=CC2=C(C=C1)N3C(CC2=O)C4=C(C3=O)C=CN=C4","NBVHOYBOLOXEDH-UHFFFAOYSA-N","394932",NA,"PDBC20879","699032","Present"
-"3-Methoxy-6,7-dihydro-5h-benzo[6,7]cyclohepta[1,2-b]quinolin-8-amine","","","","","","","","","","","","","","","","","","","","5-Methoxy-19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-12-amine","","COC1=CC2=C(C=C1)C3=NC4=CC=CC=C4C(=C3CCC2)N","CNACZOSGTBZLLB-UHFFFAOYSA-N","402665",NA,"PDBC20880","716851","Present"
-"3-Methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzene-1,2-diol","","","","","","","","","","","","","","","","","","","","3-Methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzene-1,2-diol","","COC1=C(C(=C(C=C1)C=CC2=CC3=C(C(=C2)OC)OCO3)O)O","ANCIATXUDFQEBC-ARJAWSKDSA-N","5386543",NA,"PDBC20881","613752","Present"
-"3-Methoxy-6-methyl-4-nitropyridazine 1-oxide","","","","","","","","","","","","","","","","","","","","AC-907/25004561","","CC1=CC(=C(N=[N+]1[O-])OC)[N+](=O)[O-]","QSZDOGLESFAOQS-UHFFFAOYSA-N","6405305",NA,"PDBC20882","64798","Present"
-"3-Methoxy-6-phenoxy-2-phenylimidazo[1,2-b]pyridazine","","","","","","","","","","","","","","","","","","","","3-Methoxy-2-phenoxy-2-phenylimidazo[1,2-b]pyridazine","","COC1=C(N=C2N1N=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4","IUZQKEQPFSPXKK-UHFFFAOYSA-N","367310",NA,"PDBC20883","636878","Present"
-"3-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol","","","","","","","","","","","","","","","","","","","","3-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol","","COC1=CC2=C(C=C1)C3C(CC4=CC=CC=C4O3)(CO2)O","ISSDKRHIMMFJIQ-UHFFFAOYSA-N","387600",NA,"PDBC20884","681609","Present"
-"3-Methoxy-6H,7H-chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","3-Methoxy-6H,7H-chromeno[4,3-b]chromene","","COC1=CC2=C(C=C1)C3=C(CC4=CC=CC=C4O3)CO2","YYPFLCOLVJWBIR-UHFFFAOYSA-N","387604",NA,"PDBC20885","681613","Present"
-"3-Methoxy-6H-chromeno[4,3-b]chromen-7-one","","","","","","","","","","","","","","","","","","","","3-Methoxy-6H-chromeno[4,3-b]chromen-7-one","","COC1=CC2=C(C=C1)C3=C(CO2)C(=O)C4=CC=CC=C4O3","PWZMSAMMCDWPMJ-UHFFFAOYSA-N","387610",NA,"PDBC20886","681619","Present"
-"3-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","3-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","COC1=CC2=C(C=C1)C3C(CC4=CC=CC=C4O3)CO2","NOGHCXLBTVJRST-UHFFFAOYSA-N","387587",NA,"PDBC20887","681596","Present"
-"3-Methoxy-6a,13a-dihydro-6H,7H-chromeno[4,3-b][1,3]dioxolo[4,5-g]chromene","","","","","","","","","","","","","","","","","","","","17-Methoxy-6,8,12,20-tetraoxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3,5(9),10,14(19),15,17-hexaene","","COC1=CC2=C(C=C1)C3C(CC4=CC5=C(C=C4O3)OCO5)CO2","GWWLSTFCRUNEEA-UHFFFAOYSA-N","387597",NA,"PDBC20888","681606","Present"
-"3-Methoxy-8,9-dimethyl-5H-isoindolo[2,1-a]quinoxalin-6-one","","","","","","","","","","","","","","","","","","","","3- METHOXY-5H-8,9-DIMETHYL-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE","","CC1=CC2=CN3C4=C(C=C(C=C4)OC)NC(=O)C3=C2C=C1C","PNRUIYJMOWEEFK-UHFFFAOYSA-N","54612824",NA,"PDBC20889","747520","Present"
-"3-Methoxy-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","3-Methoxy-9H-pyrido[3,4-b]indole","","COC1=NC=C2C(=C1)C3=CC=CC=C3N2","UFGGNIMGPVLCJZ-UHFFFAOYSA-N","363113",NA,"PDBC20890","627681","Present"
-"3-Methoxy-N,N-dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","3-Methoxy-N,N-dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=C(C=C(C=C4)N(C)C)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","OTUQBJVZQSQBAC-UHFFFAOYSA-M","5470317",NA,"PDBC20891","699476","Present"
-"3-Methoxy-estra-1,5(10)-triene-(17,16-c)pyrazole","","","","","","","","","","","","","","","","","","","","3-Methoxy-estra-1,3,5(10)-triene-(17,16-c)pyrazole","","CC12CCC3C(C1CC4=C2NN=C4)CCC5=C3C=CC(=C5)OC","RMERJKLVPVISOZ-XSYGEPLQSA-N","24205614",NA,"PDBC20892","736241","Present"
-"3-Methoxycarbonyladamantane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","QGHDOZIQCQPUHX-UHFFFAOYSA-N","","COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)O","QGHDOZIQCQPUHX-UHFFFAOYSA-N","365222",NA,"PDBC20893","632546","Present"
-"3-Methoxychromen-2-one","","","","","","","","","","","","","","","","","","","","methoxycoumarin","","COC1=CC2=CC=CC=C2OC1=O","HQCYVSPJIOJEGA-UHFFFAOYSA-N","367929",NA,"PDBC20894","638128","Present"
-"3-Methoxyestra-1,5(10),16(17H)-tetraeno[16,17:1',2']-(4-ac etylmethyl-1,4-dihydroanthraquinone)","","","","","","","","","","","","","","","","","","","","3-Methoxyestra-1,3,5(10),16(17H)-tetraeno[16,17:1',2']-(...","","CC(=O)OCC1C=C2CC3C4CCC5=C(C4CCC3(C2C6C1C(=O)C7=CC=CC=C7C6=O)C)C=CC(=C5)OC","SDEFWQKXHUMHJI-FECQQWDWSA-N","24206044",NA,"PDBC20895","737781","Present"
-"3-Methoxysalicylaldehyde isonicotinoyl hydrazone","","","","","","","","","","","","","","","","","","","","LS-130969","","COC1=CC=CC(=C1O)C=NNC(=O)C2=CC=NC=C2","VWLOTRPSIVIFDW-SXGWCWSVSA-N","135538347",NA,"PDBC20896","33762","Present"
-"3-Methyl-(D3)-trishomocuban-4-ethylamine","","","","","","","","","","","","","","","","","","","","3-Methyl-(D3)-trishomocuban-4-ethylamine","","CCNC1C2C3CC4C2C5C1(C3C4C5)C","PICQZWRBGKFMON-NPSUOCMPSA-N","371673",NA,"PDBC20897","646111","Present"
-"3-Methyl-1,2-benzisoxazol-4-ol","","","","","","","","","","","","","","","","","","","","FCH862280","","CC1=NOC2=CC=CC(=C12)O","QJKWESZXKFJXGT-UHFFFAOYSA-N","135429940",NA,"PDBC20898","622636","Present"
-"3-Methyl-1,2-benzisoxazol-4-yl decanoate","","","","","","","","","","","","","","","","","","","","3-Methyl-1,2-benzisoxazol-4-yl decanoate","","CCCCCCCCCC(=O)OC1=CC=CC2=C1C(=NO2)C","SLBUOVXTONDSOZ-UHFFFAOYSA-N","365037",NA,"PDBC20899","631972","Present"
-"3-Methyl-1,5-dioxido-1,5-naphthyridine-1,5-diium","","","","","","","","","","","","","","","","","","","","3-Methyl-1,5-dioxido-1,5-naphthyridine-1,5-diium","","CC1=C[N+](=O)C2=CC=CN(C2=C1)[O-]","NAUKDRRGJZDVFL-UHFFFAOYSA-N","375636",NA,"PDBC20900","655458","Present"
-"3-Methyl-1,7-diphenyl-1,6-dihydropyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Methyl-1,7-diphenyl-1,6-dihydropyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid","","CC1=NN(C2=C1N=C(CC(=N2)C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4","WIPBGLBPKDWPCY-UHFFFAOYSA-N","378935",NA,"PDBC20901","662443","Present"
-"3-Methyl-1-(2-quinolinyl)-2-butanone","","","","","","","","","","","","","","","","","","","","3-Methyl-1-(2-quinolinyl)-2-butanone","","CC(C)C(=O)CC1=NC2=CC=CC=C2C=C1","YNAKYFWJSSKUQL-UHFFFAOYSA-N","238450",NA,"PDBC20902","42797","Present"
-"3-Methyl-1-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-Methyl-1-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione","","CC1=CC(=O)N(C1=O)N2C(=NNC2=O)C","XNKRDTFZEYVPQD-UHFFFAOYSA-N","387577",NA,"PDBC20903","681534","Present"
-"3-Methyl-1-(4-nitrobenzoyl)-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","3-Methyl-1-(4-nitrobenzoyl)-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde","","CC(C)[Si](C(C)C)(C(C)C)OC1=CC=C(C=C1)CC2C(CC(N2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4)(C)C=O","PFPUPXYWDOJOFU-UHFFFAOYSA-N","401723",NA,"PDBC20904","715453","Present"
-"3-Methyl-1-(4-pentenyl)-2-piperidinethione","","","","","","","","","","","","","","","","","","","","3-Methyl-1-(4-pentenyl)-2-piperidinethione","","CC1CCCN(C1=S)CCCC=C","WJPOKTWMHZMQLE-UHFFFAOYSA-N","373270",NA,"PDBC20905","649423","Present"
-"3-Methyl-1-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-Methyl-1-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione","","CC1=CC(=O)N(C1=O)N2C(=NNC2=O)C3=CC=CC=C3","XCQFXXWBRJGPFK-UHFFFAOYSA-N","388411",NA,"PDBC20906","683293","Present"
-"3-Methyl-1-(phenylacetyl)-4-(4-(2-phenylvinyl)phenyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl- 4-[4-(...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)C=CC4=CC=CC=C4)C(=O)CC5=CC=CC=C5","WCEDXYBMEYAOQK-OUKQBFOZSA-N","5923387",NA,"PDBC20907","657380","Present"
-"3-Methyl-1-benzofuran-2-carboximidamide hydrochloride","","","","","","","","","","","","","","","","","","","","3-Methyl-1-benzofuran-2-carboximidamide hydrochloride","","CC1=C(OC2=CC=CC=C12)C(=N)N.Cl","BKFHVJKRISGLOC-UHFFFAOYSA-N","363674",NA,"PDBC20908","628747","Present"
-"3-Methyl-1-morpholino-2-(2-morpholinoethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Methyl-1-morpholino-2-(2-morpholinoethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCN4CCOCC4)N5CCOCC5)C#N","KWJOJQVAUAZFNS-UHFFFAOYSA-N","377277",NA,"PDBC20909","658530","Present"
-"3-Methyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone","","","","","","","","","","","","","","","","","","","","3-Methyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone","","CC1C(N(C(CC1=O)C2=CC=CS2)N=O)C3=CC=CS3","GSLUMCCDDSVQBE-UHFFFAOYSA-N","362610",NA,"PDBC20910","626740","Present"
-"3-Methyl-1-nitroso-2,6-diphenyl-piperidin-4-one oxime","","","","","","","","","","","","","","","","","","","","3-Methyl-1-nitroso-2,6-diphenyl-piperidin-4-one oxime","","CC1C(N(C(CC1=NO)C2=CC=CC=C2)N=O)C3=CC=CC=C3","DEOWNWVIOCEVCD-KNTRCKAVSA-N","6375213",NA,"PDBC20911","656998","Present"
-"3-Methyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one","","","","","","","","","","","","","","","","","","","","3-Methyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one","","CC1C(N(C(CC(=O)N1)C2=CC=CC=C2)N=O)C3=CC=CC=C3","QQAIQSYUNZHALI-UHFFFAOYSA-N","362614",NA,"PDBC20912","626744","Present"
-"3-Methyl-1-oxo-2-(2-((triphenylphosphoranylidene)amino)ethyl)-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Methyl-1-oxo-2-[2-[(triphenyl-lambda5-phosphanylidene)amino]ethyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCN=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","VSMNEGVPLMFJOA-UHFFFAOYSA-N","377275",NA,"PDBC20913","658528","Present"
-"3-Methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","","","","","","","","","","","","","","","","","","","","3-Methyl-1-phenyl-1,3,8-triazaspiro[4,5]-decan-4-one","","CN1CN(C2(C1=O)CCNCC2)C3=CC=CC=C3","IGPACMIJADAUNA-UHFFFAOYSA-N","197732",NA,"PDBC20914","685712","Present"
-"3-Methyl-1-phenyl-4,6-dihydropyrazolo(4,3-d)(1)benzazepin-5(1H)-one","","","","","","","","","","","","","","","","","","","","Pyrazolo[3,4-d][1]benzazepin-5-one, 1,4,5,6-tetrahydro-3...","","CC1=NN(C2=C1CC(=O)NC3=CC=CC=C32)C4=CC=CC=C4","HDYUIMHCGQNIMV-UHFFFAOYSA-N","378957",NA,"PDBC20915","662553","Present"
-"3-Methyl-1-phenyl-5-sulfanylpyrazol-4-yl phenyl ketone","","","","","","","","","","","","","","","","","","","","3-Methyl-1-phenyl-5-sulfanylpyrazol-4-yl phenyl ketone","","CC1=C(C(=S)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","VVEFMYLKFYPUOX-UHFFFAOYSA-N","4989771",NA,"PDBC20916","619156","Present"
-"3-Methyl-1-phenyl-pyrazolo[3,4-b]pyrazine-6-thiol","","","","","","","","","","","","","","","","","","","","3-Methyl-1-phenyl-pyrazolo[3,4-b]pyrazine-6-thiol","","CC1=NN(C2=C1N=CC(=S)N2)C3=CC=CC=C3","STTKFZBNWMQRMM-UHFFFAOYSA-N","135436068",NA,"PDBC20917","674231","Present"
-"3-Methyl-1-thia-3,4a,9-triaza-fluorene-2,4-dithione","","","","","","","","","","","","","","","","","","","","2H-1,3,5-Thiadiazino[3,2-a]benzimidazol-2,4(3H)-dithione...","","CN1C(=S)N2C3=CC=CC=C3N=C2SC1=S","WHOZVZKPJLUZNU-UHFFFAOYSA-N","353156",NA,"PDBC20918","600473","Present"
-"3-Methyl-10-(4-methylphenyl)-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Methyl-10-(4-methylphenyl)-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione","","CC1=CC=C(C=C1)N2C3=CC=CC=C3C(C4=C2NC(=O)N(C4=O)C)C(SC)S(=O)(=O)C5=CC=C(C=C5)C","QUQVVTLEZDGOOY-UHFFFAOYSA-N","370136",NA,"PDBC20919","642726","Present"
-"3-Methyl-13,13a-dihydro-9H-[1,3]thiazolo[4,3-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepine-9-thione","","","","","","","","","","","","","","","","","","","","3-Methyl-9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-12-thione","","CC1=NN=C2N1C3=CC=CC=C3C(=S)N4C2CSC4","WHRTZGCLIOSHIR-UHFFFAOYSA-N","388521",NA,"PDBC20920","683505","Present"
-"3-Methyl-18-phenyl-21-thia-3,13,18-triazahexacyclo[13.5.1.01,13.02,10.04,9.016,20]henicosa-2(10),4,6,8-tetraene-14,17,19-trione","","","","","","","","","","","","","","","","","","","","3-Methyl-18-phenyl-21-thia-3,13,18-triazahexacyclo[13.5.1.01,13.02,10.04,9.016,20]henicosa-2(10),4,6,8-tetraene-14,17,19-trione","","CN1C2=CC=CC=C2C3=C1C45C6C(C(S4)C(=O)N5CC3)C(=O)N(C6=O)C7=CC=CC=C7","ROBPMFOYMOZBLS-UHFFFAOYSA-N","397459",NA,"PDBC20921","705317","Present"
-"3-Methyl-1H-[4,1]benzoxazepine-2,5-dione","","","","","","","","","","","","","","","","","","","","3-Methyl-1H-[4,1]benzoxazepine-2,5-dione","","CC1C(=O)NC2=CC=CC=C2C(=O)O1","RABWXFPVNRWBGX-UHFFFAOYSA-N","398452",NA,"PDBC20922","708222","Present"
-"3-Methyl-1H-pteridine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-methyllumazin","","CN1C(=O)C2=NC=CN=C2NC1=O","UYXLCEIIVQGXBU-UHFFFAOYSA-N","379345",NA,"PDBC20923","663892","Present"
-"3-Methyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,5(6H)-dicarbonitrile","","","","","","","","","","","","","","","","","","","","1H-Pyrazino[1,2-a]quinoline-5,5-dicarbonitrile, 2,3,4,4a...","","CN1CCN2C(C1)C(CC3=CC=CC=C32)(C#N)C#N","PHRHYKULVRKEER-UHFFFAOYSA-N","363225",NA,"PDBC20924","627967","Present"
-"3-Methyl-2,4-diphenyl-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","3-Methyl-2,4-diphenyl-3,6-dihydro-2H-1,2-oxazine","","CC1C(=CCON1C2=CC=CC=C2)C3=CC=CC=C3","LWIIQRRUWYVXDV-UHFFFAOYSA-N","370846",NA,"PDBC20925","644552","Present"
-"3-Methyl-2,5-diphenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","3-Methyl-2,5-diphenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide","","CC1=CC(OP1(=O)C2=CC=CC=C2)C3=CC=CC=C3","ZRLGMUKNJTVGTF-UHFFFAOYSA-N","380880",NA,"PDBC20926","666664","Present"
-"3-Methyl-2-(3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole","","","","","","","","","","","","","","","","","","","","3-Methyl-2-(3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole","","CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)C","NQDOZQYNMBJQMG-UHFFFAOYSA-N","338452",NA,"PDBC20927","361054","Present"
-"3-Methyl-2-(7H-purin-6-ylamino)butanoic acid","","","","","","","","","","","","","","","","","","","","STL373150","","CC(C)C(C(=O)O)NC1=NC=NC2=C1NC=N2","NYRSRNGSMXWKQV-UHFFFAOYSA-N","4136995",NA,"PDBC20928","52343","Present"
-"3-Methyl-2-(methylimino)-2,3-dihydro[1,3]thiazolo[4,5-b]pyrazine-5,6-dicarbonitrile","","","","","","","","","","","","","","","","","","","","3-Methyl-2-(methylimino)-2,3-dihydro[1,3]thiazolo[4,5-b]pyrazine-5,6-dicarbonitrile","","CN=C1N(C2=NC(=C(N=C2S1)C#N)C#N)C","HNBVITSUQKTDRQ-UHFFFAOYSA-N","380162",NA,"PDBC20929","665600","Present"
-"3-Methyl-2-(naphthalene-1-carbonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3-Methyl-2-(1-naphthoyl)benzoic acid","","CC1=C(C(=CC=C1)C(=O)O)C(=O)C2=CC=CC3=CC=CC=C32","YTIODIXTUPNVSG-UHFFFAOYSA-N","362083",NA,"PDBC20930","625606","Present"
-"3-Methyl-2-[(10-oxidoacridin-10-ium-9-yl)amino]butanoic acid","","","","","","","","","","","","","","","","","","","","N-(10-Hydroxy-10.lambda.~5~-acridin-9-yl)valine","","CC(C)C(C(=O)O)N=C1C2=CC=CC=C2N(C3=CC=CC=C31)O","USUBCYDCIHFXSL-UHFFFAOYSA-N","494620",NA,"PDBC20931","627901","Present"
-"3-Methyl-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]butanoic acid","","","","","","","","","","","","","","","","","","","","3-Methyl-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]butanoic acid","","CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)[O-]","IEBSGLZZVOUHQG-UHFFFAOYSA-N","494614",NA,"PDBC20932","627895","Present"
-"3-Methyl-2-[(4-methylphenyl)sulfonylcarbamoylamino]butanoic acid","","","","","","","","","","","","","","","","","","","","3-Methyl-2-(p-tolylsulfonylcarbamoylamino)butanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C(C)C)C(=O)O","GJWUVSCQOVQPQW-UHFFFAOYSA-N","396491",NA,"PDBC20933","702675","Present"
-"3-Methyl-2-[(9-oxo-10H-acridine-4-carbonyl)amino]pentanoic acid","","","","","","","","","","","","","","","","","","","","3-Methyl-2-[(9-oxo10h-acridine-4-carbonyl)amino]pentanoic acid","","CCC(C)C(C(=O)O)NC(=O)C1=CC=CC2=C1NC3=CC=CC=C3C2=O","IVACLNSXZIMXDY-UHFFFAOYSA-N","392350",NA,"PDBC20934","692634","Present"
-"3-Methyl-2-buten-1-yl diazopropanoate","","","","","","","","","","","","","","","","","","","","3-Methyl-2-buten-1-yl diazopropanoate","","CC(=CCOC(=O)C(=[N+]=[N-])C)C","VBCMPSVNMDRWRX-UHFFFAOYSA-N","386724",NA,"PDBC20935","679274","Present"
-"3-Methyl-2-methylimino-2,3-dihydro-naphtho[2,3-d]thiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-d]thiazole-4,9-dione, 3-methyl-2-(methylimino)-","","CN=C1N(C2=C(S1)C(=O)C3=CC=CC=C3C2=O)C","GWLABUXKVMQBNY-UHFFFAOYSA-N","377877",NA,"PDBC20936","659501","Present"
-"3-Methyl-2-methylsulfanyl-4H-pyrimidine","","","","","","","","","","","","","","","","","","","","3-Methyl-2-methylsulfanyl-4H-pyrimidine","","CN1CC=CN=C1SC","NGDIQQVMPLTBDN-UHFFFAOYSA-N","358317",NA,"PDBC20937","618278","Present"
-"3-Methyl-2-methylsulfanyl-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one","","","","","","","","","","","","","","","","","","","","3-Methyl-2-methylsulfanyl-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one","","CN1C(=O)C2=C(NC(CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N=C1SC","WSASOTZFWHBMOA-UHFFFAOYSA-N","389942",NA,"PDBC20938","686610","Present"
-"3-Methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one","","","","","","","","","","","","","","","","","","","","3-Methyl-2-phenyl-5,6-dihydro-4h-pyrrolo[2,3-d]pyridazin-4-one","","CC1=C(NC2=C1C(=O)NN=C2)C3=CC=CC=C3","DPTXIPYEVFMFTE-UHFFFAOYSA-N","135426729",NA,"PDBC20939","712186","Present"
-"3-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","3-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone","","CC1=CC2=C(C=C1)N=C(C=C2C)NN=CC3=C(C=CS3)C","YAZYTYCQEMTVJD-VCHYOVAHSA-N","9556274",NA,"PDBC20940","683907","Present"
-"3-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","3-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone","","CC1=C2C(=CC=C1)C(=CC(=N2)NN=CC3=C(C=CS3)C)C","ZGMZAURNMJNSSB-VCHYOVAHSA-N","9556275",NA,"PDBC20941","683908","Present"
-"3-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","3-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone","","CC1=C(SC=C1)C=NNC2=NC3=CC=CC=C3C(=C2)C","OYLMZCNRGXPYJP-LICLKQGHSA-N","9556273",NA,"PDBC20942","683906","Present"
-"3-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","3-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone","","CC1=C(SC=C1)C=NNC2=NC3=C(C=C(C=C3)OC)C(=C2)C","IPTDWJNJTAFLED-VCHYOVAHSA-N","9556276",NA,"PDBC20943","683909","Present"
-"3-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","3-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone","","CC1=C(SC=C1)C=NNC2=NC3=C(C=CC(=C3)OC)C(=C2)C","LJJUOEXAPQICEI-VCHYOVAHSA-N","9556277",NA,"PDBC20944","683910","Present"
-"3-Methyl-2-thiophenecarbaldehyde 1-phthalazinylhydrazone","","","","","","","","","","","","","","","","","","","","3-Methyl-2-thiophenecarbaldehyde 1-phthalazinylhydrazone","","CC1=C(SC=C1)C=NNC2=NN=CC3=CC=CC=C32","WMPAEJWUOUXKQR-CXUHLZMHSA-N","9556271",NA,"PDBC20945","683904","Present"
-"3-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone","","","","","","","","","","","","","","","","","","","","3-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone","","CC1=C(SC=C1)C=NNC2=CC=CC=N2","NEICKWRBEAFLRB-MDWZMJQESA-N","9556267",NA,"PDBC20946","683900","Present"
-"3-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone","","","","","","","","","","","","","","","","","","","","3-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone","","CC1=C(SC=C1)C=NNC2=NC=CC=N2","NUMRXTYTJYWACC-NTUHNPAUSA-N","9556268",NA,"PDBC20947","683901","Present"
-"3-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone","","","","","","","","","","","","","","","","","","","","3-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone","","CC1=C(SC=C1)C=NNC2=NC3=CC=CC=C3C=C2","PIKARIPADNTNGU-MHWRWJLKSA-N","9556272",NA,"PDBC20948","683905","Present"
-"3-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone","","","","","","","","","","","","","","","","","","","","3-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone","","CC1=C(SC=C1)C=NNC2=NCCN2","YTGOPQGLNSHFNX-WUXMJOGZSA-N","9556266",NA,"PDBC20949","683899","Present"
-"3-Methyl-21-thia-3,13-diazahexacyclo[13.5.1.01,13.02,10.04,9.015,19]henicosa-2(10),4,6,8-tetraen-14-one","","","","","","","","","","","","","","","","","","","","3-Methyl-21-thia-3,13-diazahexacyclo[13.5.1.01,13.02,10.04,9.015,19]henicosa-2(10),4,6,8-tetraen-14-one","","CN1C2=CC=CC=C2C3=C1C45CC6CCCC6(S4)C(=O)N5CC3","XMKZSJNAJUEYTO-UHFFFAOYSA-N","397453",NA,"PDBC20950","705311","Present"
-"3-Methyl-23-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","","","","","","","","","","","","","","","","","","","3-Methyl-23-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C7C(C(C(C(O7)CO)O)O)O)C(=O)OC4=O","ICPVDKIIEXCNTO-UHFFFAOYSA-N","396693",NA,"PDBC20951","703292","Present"
-"3-Methyl-3,12,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one","","","","","","","","","","","","","","","","","","","","13-Methyl-5,6,12,13-tetrahydro-7H-indolo[2,3-a]pyrazolo[...","","CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6NC5=C31)C(=O)NN4","CPYGPRSACLAIHV-UHFFFAOYSA-N","155807034",NA,"PDBC20952","785683","Present"
-"3-Methyl-3,2-f]quinolin-9-one","","","","","","","","","","","","","","","","","","","","3-methyl-3,6-dihydro-pyttolo[3,2-f]quinolin-9-one","","CN1C=CC2=C1C=CC3=C2C(=O)C=CN3","VMAOWZUJYBRICS-UHFFFAOYSA-N","406598",NA,"PDBC20953","724813","Present"
-"3-Methyl-3,5-diphenyl-1,3-thiazol-3-ium-2-thione;iodide","","","","","","","","","","","","","","","","","","","","3-Methyl-3,5-diphenyl-1,3-thiazol-3-ium-2-thione;iodide","","C[N+]1(C=C(SC1=S)C2=CC=CC=C2)C3=CC=CC=C3.[I-]","KHIIQMNLHGUWOG-UHFFFAOYSA-M","24189815",NA,"PDBC20954","96517","Present"
-"3-Methyl-3,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1,4,6-trione","","","","","","","","","","","","","","","","","","","","1H-Pyrrolo[3,4-c]pyridine-1,4,6(5H,7H)-trione, 2,3-dihyd...","","CC1C2=C(CC(=O)NC2=O)C(=O)N1","AUXVOKFDPRBZMU-UHFFFAOYSA-N","278777",NA,"PDBC20955","128701","Present"
-"3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one","","","","","","","","","","","","","","","","","","","","3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one","","CC1(C2=CC=CC=C2C(=O)O1)C3(C4=CC=CC=C4C(=O)O3)C","XCHFZQHAUQXSMG-UHFFFAOYSA-N","395477",NA,"PDBC20956","700118","Present"
-"3-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one","","CC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC4=CC=CC=C43","YACSHPRFFGCFKV-UHFFFAOYSA-N","263305",NA,"PDBC20957","97703","Present"
-"3-Methyl-3-(2,3,4,5-tetramethyl-6-((3-methyl-3-thietanyl)methyl)benzyl)thietane","","","","","","","","","","","","","","","","","","","","3-Methyl-3-(2,3,4,5-tetramethyl-6-((3-methyl-3-thietanyl)methyl)benzyl)thietane","","CC1=C(C(=C(C(=C1C)CC2(CSC2)C)CC3(CSC3)C)C)C","YAHDSEDPAYUYBX-UHFFFAOYSA-N","421581",NA,"PDBC20958","135882","Present"
-"3-Methyl-3-(3-(2-methyl-1,3-dioxolan-2-yl)propyl)-2-pyrrolidinone","","","","","","","","","","","","","","","","","","","","3-Methyl-3-(3-(2-methyl-1,3-dioxolan-2-yl)propyl)-2-pyrrolidinone","","CC1(CCNC1=O)CCCC2(OCCO2)C","SJFLALIFOJQCGU-UHFFFAOYSA-N","379162",NA,"PDBC20959","663575","Present"
-"3-Methyl-3-(3-(2-methyl-2-(3-(2-methyl-2-(3-(1-methyl-1-(2-methyl-1,3-dioxolan-2-yl)ethyl)-5-isoxazolyl)propyl)-5-isoxazolyl)propyl)-5-isoxazolyl)butanenitrile","","","","","","","","","","","","","","","","","","","","3-Methyl-3-[3-[2-methyl-2-[3-[2-methyl-2-[3-[2-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]-1,2-oxazol-5-yl]propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazol-5-yl]butanenitrile","","CC1(OCCO1)C(C)(C)C2=NOC(=C2)C(C)(C)CC3=NOC(=C3)C(C)(C)CC4=NOC(=C4)C(C)(C)CC#N","BAUSENVLYRYZBL-UHFFFAOYSA-N","388762",NA,"PDBC20960","683840","Present"
-"3-Methyl-3-(4-pentenyl)-2-azepanone","","","","","","","","","","","","","","","","","","","","3-methyl-3-pent-4-enyl-azepan-2-one","","CC1(CCCCNC1=O)CCCC=C","FAOGVEXBWUZQDE-UHFFFAOYSA-N","379160",NA,"PDBC20961","663573","Present"
-"3-Methyl-3-(4-pentenyl)-2-pyrrolidinethione","","","","","","","","","","","","","","","","","","","","3-Methyl-3-(4-pentenyl)-2-pyrrolidinethione","","CC1(CCNC1=S)CCCC=C","NGRXJNDOVLXBOF-UHFFFAOYSA-N","3004386",NA,"PDBC20962","649428","Present"
-"3-Methyl-3-butenyl trityl ether","","","","","","","","","","","","","","","","","","","","3-Methyl-3-butenyl trityl ether","","CC(=C)CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","RDDYHYGKXUBYPP-UHFFFAOYSA-N","371697",NA,"PDBC20963","646147","Present"
-"3-Methyl-3-nitropentane-1,5-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC116805","","CC(CCN)(CCN)[N+](=O)[O-].Cl","JPIMZFWFRDKBEN-UHFFFAOYSA-N","24190931",NA,"PDBC20964","116805","Present"
-"3-Methyl-3-phenylglutaric acid","","","","","","","","","","","","","","","","","","","","NE45474","","CC(CC(=O)O)(CC(=O)O)C1=CC=CC=C1","LEHVKCUBJITYCL-UHFFFAOYSA-N","77814",NA,"PDBC20965","51135","Present"
-"3-Methyl-4-(1-naphthylmethylene)-2-isoxazoline-5-one","","","","","","","","","","","","","","","","","","","","NSC637191","","CC1=NOC(=O)C1=CC2=CC=CC3=CC=CC=C32","JTAYVQUQWUDFTE-NTEUORMPSA-N","5388594",NA,"PDBC20966","637191","Present"
-"3-Methyl-4-(methylamino)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Methyl-4-(methylamino)-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1NC","HHGZVVVYIXJBFR-UHFFFAOYSA-N","384496",NA,"PDBC20967","674329","Present"
-"3-Methyl-4-(methylthio)-1,6-dihydropyrazolo[3,4-c]pyrazole","","","","","","","","","","","","","","","","","","","","3-Methyl-4-(methylthio)-1,6-dihydropyrazolo[3,4-c]pyrazole","","CC1=C2C(=NN1)NN=C2SC","DNBZBBASYVFSHU-UHFFFAOYSA-N","392131",NA,"PDBC20968","692011","Present"
-"3-Methyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Methyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC(=C(C(=C2)OC)OC)OC","ITTIXTFRJUHYCD-VGOFMYFVSA-N","9556359",NA,"PDBC20969","698068","Present"
-"3-Methyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Methyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC=C(C=C2)[N+](=O)[O-]","MNEGBOAJBKZJJY-IZZDOVSWSA-N","9571940",NA,"PDBC20970","675221","Present"
-"3-Methyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Methyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]","YDISGXWJLLQGGJ-RUDMXATFSA-N","9556348",NA,"PDBC20971","698057","Present"
-"3-Methyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Methyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CN=CC=C2","HWTFDIGCQCNHHO-IZZDOVSWSA-N","9556204",NA,"PDBC20972","674331","Present"
-"3-Methyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Methyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC=NC=C2","YBGNBNCDVBLDMA-IZZDOVSWSA-N","9571517",NA,"PDBC20973","676723","Present"
-"3-Methyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Methyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC=CS2","NXUJGPJPJDIRHG-WEVVVXLNSA-N","9556344",NA,"PDBC20974","698053","Present"
-"3-Methyl-4-cinnolinol","","","","","","","","","","","","","","","","","","","","V1G7II8M3G","","CC1=NNC2=CC=CC=C2C1=O","YVRPDIPJOFBYAL-UHFFFAOYSA-N","257352",NA,"PDBC20975","85323","Present"
-"3-Methyl-4-methylsulfanyl-1-phenyl-6H-pyrazolo[3,4-c]pyrazole","","","","","","","","","","","","","","","","","","","","3-Methyl-4-methylsulfanyl-1-phenyl-2h-pyrazolo[4,5-d]pyrazole","","CC1=NN(C2=C1C(=NN2)SC)C3=CC=CC=C3","HQJNDZZYKKRAJA-UHFFFAOYSA-N","135416168",NA,"PDBC20976","692012","Present"
-"3-Methyl-4-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-6-thiol","","","","","","","","","","","","","","","","","","","","3-Methyl-4-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-6-thiol","","CC1=NN(C2=C1C(=NC(=S)N2)SC)C3=CC=CC=C3","PRTWOCDVTSDRHR-UHFFFAOYSA-N","135489876",NA,"PDBC20977","687605","Present"
-"3-Methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine-6-thiol","","","","","","","","","","","","","","","","","","","","3-Methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine-6-thiol","","CC1=C2C(=NN1)NC(=S)N=C2SC","WCWHUSGSYQLCIV-UHFFFAOYSA-N","135406821",NA,"PDBC20978","692024","Present"
-"3-Methyl-4-methylsulfanyl-5-phenyl-6H-pyrazolo[3,4-c]pyrazole","","","","","","","","","","","","","","","","","","","","3-Methyl-4-methylsulfanyl-5-phenyl-6H-pyrazolo[3,4-c]pyrazole","","CC1=NNC2=NN(C(=C12)SC)C3=CC=CC=C3","DQKZLNUCFPIQTM-UHFFFAOYSA-N","135450457",NA,"PDBC20979","692021","Present"
-"3-Methyl-4-phenylbutan-2-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","3-Methyl-4-phenylbutan-2-amine;hydrochloride","","CC(CC1=CC=CC=C1)C(C)N.Cl","UZPZONNDWJGFIQ-UHFFFAOYSA-N","5351727",NA,"PDBC20980","27118","Present"
-"3-Methyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Methyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N2C=CC=C2","AZLGNODBUCBVHL-UHFFFAOYSA-N","388866",NA,"PDBC20981","684059","Present"
-"3-Methyl-5,10-dihydro-10-phenophosphazinol 10-oxide","","","","","","","","","","","","","","","","","","","","3-Methyl-5,10-dihydro-10-phenophosphazinol 10-oxide","","CC1=CC2=C(C=C1)P(=O)(C3=CC=CC=C3N2)O","IUROKZNOFFMIBO-UHFFFAOYSA-N","380774",NA,"PDBC20982","666485","Present"
-"3-Methyl-5-((2,3,4,5,6-pentafluorophenyl)(2,3,5,6-tetrafluoro-4-((3-methyl-5-isoxazolyl)methyl)phenyl)methyl)isoxazole","","","","","","","","","","","","","","","","","","","","3-Methyl-5-[(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-[(3-methyl-1,2-oxazol-5-yl)methyl]phenyl]methyl]-1,2-oxazole","","CC1=NOC(=C1)CC2=C(C(=C(C(=C2F)F)C(C3=CC(=NO3)C)C4=C(C(=C(C(=C4F)F)F)F)F)F)F","AFLQRFOTAXTUTJ-UHFFFAOYSA-N","380224",NA,"PDBC20983","665700","Present"
-"3-Methyl-5-(2,3,5,6-tetrafluoro-4-((3-methyl-5-isoxazolyl)methyl)benzyl)isoxazole","","","","","","","","","","","","","","","","","","","","3-Methyl-5-(2,3,5,6-tetrafluoro-4-((3-methyl-5-isoxazolyl)methyl)benzyl)isoxazole","","CC1=NOC(=C1)CC2=C(C(=C(C(=C2F)F)CC3=CC(=NO3)C)F)F","VAHGVYUAGUEWDF-UHFFFAOYSA-N","380225",NA,"PDBC20984","665701","Present"
-"3-Methyl-5-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one","","","","","","","","","","","","","","","","","","","","3-Methyl-5-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one","","CC1CN(C2=CC=CC=C2NC1=O)CC=C(C)C","BEWDKMOGBBLRIO-UHFFFAOYSA-N","377483",NA,"PDBC20985","658951","Present"
-"3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine","","","","","","","","","","","","","","","","","","","","3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine","","CC1=CC=C(C=C1)C2=NN(COC2C(F)(F)F)C","MHWGZIHZIRVXQE-UHFFFAOYSA-N","365916",NA,"PDBC20986","634038","Present"
-"3-Methyl-5-benzyl-6-amino-2-thiouracil","","","","","","","","","","","","","","","","","","","","3-Methyl-5-benzyl-6-amino-2-thiouracil","","CN1C(=O)C(=C(NC1=S)N)CC2=CC=CC=C2","PNCVULFMFMFJSM-UHFFFAOYSA-N","3005247",NA,"PDBC20987","685811","Present"
-"3-Methyl-5-nitro-1-benzofuran-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","BFOGZBLYCKTATH-UHFFFAOYSA-N","","CC1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O","BFOGZBLYCKTATH-UHFFFAOYSA-N","361680",NA,"PDBC20988","624898","Present"
-"3-Methyl-5a,6-dihydrochromeno[2,3-b]indol-11-ol","","","","","","","","","","","","","","","","","","","","3-Methyl-5a,6-dihydrochromeno[2,3-b]indol-11-ol","","CC1=CC2=C(C=C1)C(=C3C(O2)NC4=CC=CC=C43)O","CLPXQTQQKSHKTM-UHFFFAOYSA-N","399532",NA,"PDBC20989","710396","Present"
-"3-Methyl-6,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,5(3H)-trione","","","","","","","","","","","","","","","","","","","","3-Methyl-6,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,5(3H)-trione","","CN1C(=O)C2=C(NCC2=O)NC1=O","LEZQKCLIZROGNX-UHFFFAOYSA-N","363716",NA,"PDBC20990","628876","Present"
-"3-Methyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Methyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","CN1C(=O)N2C(=C(N2C1=O)C3=CC=CC=C3)C4=CC=CC=C4","UXGVLWSRNQDDIF-UHFFFAOYSA-N","390082",NA,"PDBC20991","687026","Present"
-"3-Methyl-6,7-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","3-Methyl-6,7-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=NN=C2N1N=C(C(S2)C3=CC=CC=C3)C4=CC=CC=C4","PMBPAOOWWJLTGA-UHFFFAOYSA-N","373414",NA,"PDBC20992","649669","Present"
-"3-Methyl-6-(1-methyl-5-oxopyrrolidin-2-yl)-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","3-Methyl-6-(1-methyl-5-oxopyrrolidin-2-yl)-1,3-benzoxazol-2(3H)-one","","CN1C(CCC1=O)C2=CC3=C(C=C2)N(C(=O)O3)C","ULAUXTXQVSIIEA-UHFFFAOYSA-N","367276",NA,"PDBC20993","636826","Present"
-"3-Methyl-6-(2,4-dichloro-5-fluorophenyl)-7-(1,3-benzodioxole-5-ylmethylene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-7-(1,3-Benzodioxol-5-ylmethylidene)-6-(2,4-dichloro-5-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=NN=C2N1N=C(C(=CC3=CC4=C(C=C3)OCO4)S2)C5=CC(=C(C=C5Cl)Cl)F","FMGAOYKWXQMSRZ-ZWSORDCHSA-N","5471714",NA,"PDBC20994","713305","Present"
-"3-Methyl-6-(2,4-dichloro-5-fluorophenyl)-7-(3,4-dimethoxybenzylidene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-6-(2,4-Dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=NN=C2N1N=C(C(=CC3=CC(=C(C=C3)OC)OC)S2)C4=CC(=C(C=C4Cl)Cl)F","MLPPJSRGDCBKQG-WSVATBPTSA-N","5471715",NA,"PDBC20995","713306","Present"
-"3-Methyl-6-(2,4-dichloro-5-fluorophenyl)-7-(4-chlorobenzylidene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-7-[(4-Chlorophenyl)methylidene]-6-(2,4-dichloro-5-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=NN=C2N1N=C(C(=CC3=CC=C(C=C3)Cl)S2)C4=CC(=C(C=C4Cl)Cl)F","FUGFORRHXIHJIS-SOFYXZRVSA-N","5471713",NA,"PDBC20996","713304","Present"
-"3-Methyl-6-(4-phenylpiperazine-1-carbothioyl)-1,3-benzothiazol-2-one","","","","","","","","","","","","","","","","","","","","3-Methyl-6-(4-phenylpiperazine-1-carbothioyl)-1,3-benzothiazol-2-one","","CN1C2=C(C=C(C=C2)C(=S)N3CCN(CC3)C4=CC=CC=C4)SC1=O","QFYCLSYOHWWOGI-UHFFFAOYSA-N","391468",NA,"PDBC20997","690673","Present"
-"3-Methyl-6-(5-nitrofuran-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-Methyl-6-(5-nitrofuran-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","CC1=NN=C2N1N=C(S2)C3=CC=C(O3)[N+](=O)[O-]","NZMWNXYWYUPLMS-UHFFFAOYSA-N","399719",NA,"PDBC20998","710765","Present"
-"3-Methyl-6-(morpholine-4-carbothioyl)-1,3-benzothiazol-2-one","","","","","","","","","","","","","","","","","","","","3-Methyl-6-(morpholine-4-carbothioyl)-1,3-benzothiazol-2-one","","CN1C2=C(C=C(C=C2)C(=S)N3CCOCC3)SC1=O","ZAMQPJIPHDHDDQ-UHFFFAOYSA-N","391465",NA,"PDBC20999","690670","Present"
-"3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzothiazol-2-one","","","","","","","","","","","","","","","","","","","","3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzothiazol-2-one","","CN1C2=C(C=C(C=C2)C(=S)N3CCCCC3)SC1=O","JXBLNGNVHOCCMV-UHFFFAOYSA-N","391467",NA,"PDBC21000","690672","Present"
-"3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzoxazol-2-one","","CN1C2=C(C=C(C=C2)C(=S)N3CCCCC3)OC1=O","ISISYPNKGRUUFG-UHFFFAOYSA-N","391464",NA,"PDBC21001","690669","Present"
-"3-Methyl-6-(trifluoromethyl)quinoxalin-2-ol","","","","","","","","","","","","","","","","","","","","3-Methyl-6-(trifluoromethyl)quinoxalin-2-ol","","CC1=NC2=C(C=CC(=C2)C(F)(F)F)NC1=O","ZCYLCBAIXBVSAF-UHFFFAOYSA-N","389440",NA,"PDBC21002","685522","Present"
-"3-Methyl-6-[5-(4-nitro-phenyl)-furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","3-Methyl-6-[5-(4-nitro-phenyl)-furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","CC1=NN=C2N1N=C(CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]","CGAVXXISVXRFSV-UHFFFAOYSA-N","367880",NA,"PDBC21003","638046","Present"
-"3-Methyl-6-[5-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","3-Methyl-6-{5-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}-1,3-benzoxazol-2(3H)-one","","CN1C2=C(C=C(C=C2)C3CCC(=O)N3CC4=CSC(=N4)C5=CC=CC=C5)OC1=O","BCARQUSEFZIXEH-UHFFFAOYSA-N","367278",NA,"PDBC21004","636828","Present"
-"3-Methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","F1967-3280","","CN1C(=O)C=C(NC1=O)N2CCCC2","CAZLPBSOICEWPG-UHFFFAOYSA-N","386639",NA,"PDBC21005","679096","Present"
-"3-Methyl-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene","","","","","","","","","","","","","","","","","","","","3-Methyl-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene","","CC1=CC2=C(C=C1)NC3=C4C5=CC=CC=C5NC4=CN=C23","QFRLATDYDQXTBH-UHFFFAOYSA-N","365944",NA,"PDBC21006","634087","Present"
-"3-Methyl-7-(trifluoromethyl)-5H-phenophosphazinine 10-oxide","","","","","","","","","","","","","","","","","","","","3-Methyl-7-(trifluoromethyl)-5H-phenophosphazinin-10-ium 10-oxide","","CC1=CC2=C(C=C1)[P+](=O)C3=C(N2)C=C(C=C3)C(F)(F)F","DETZBFYBBKBOTO-UHFFFAOYSA-N","6328833",NA,"PDBC21007","666486","Present"
-"3-Methyl-7-aza-3-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,9,11,13(17),14-hexaen-8-one;iodide","","","","","","","","","","","","","","","","","","","","3-Methyl-7-aza-3-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,9,11,13(17),14-hexaen-8-one;iodide","","C[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C(=O)N2CCC1.[I-]","KLMQAEGKWVPIOR-UHFFFAOYSA-M","364086",NA,"PDBC21008","629726","Present"
-"3-Methyl-8-(4-oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","","","","","","","","","","","","","","","","","","","","3-Methyl-8-(4-oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","","CN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3)C4=CC=CC=C4","AFVIOPKPKIJIMI-UHFFFAOYSA-N","380372",NA,"PDBC21009","665891","Present"
-"3-Methyl-8-(pentyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(pentyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol","","","","","","","","","","","","","","","","","","","","3-Methyl-8-(pentyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(pentyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol","","CCCCCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCCCC)O)O)C(C)C)O)O)C(C)C)O)O","BBVAWKRITDKJPY-UHFFFAOYSA-N","223889",NA,"PDBC21010","11981","Present"
-"3-Methyl-N-(2-nitrophenyl)-1,3-benzothiazol-2-imine","","","","","","","","","","","","","","","","","","","","3-Methyl-N-(2-nitrophenyl)-1,3-benzothiazol-2-imine","","CN1C2=CC=CC=C2SC1=NC3=CC=CC=C3[N+](=O)[O-]","AAYJCJQOGBMCHQ-UHFFFAOYSA-N","383261",NA,"PDBC21011","671375","Present"
-"3-Methylazepane-2-thione","","","","","","","","","","","","","","","","","","","","3-Methylazepane-2-thione","","CC1CCCCNC1=S","NIFBHLVKSMMCNH-UHFFFAOYSA-N","3004920",NA,"PDBC21012","662782","Present"
-"3-Methylazepino[2,1-a]isoquinolin-5(4H)-one","","","","","","","","","","","","","","","","","","","","3-Methylazepino[2,1-a]isoquinolin-5(4H)-one","","CC1=CC=C2C3=CC=CC=C3C=CN2C(=O)C1","WNFXVYJOBDTOOC-UHFFFAOYSA-N","379714",NA,"PDBC21013","664689","Present"
-"3-Methylbenzo[g][1]benzofuran-4,5-dione","","","","","","","","","","","","","","","","","","","","3-Methylbenzo[g][1]benzofuran-4,5-dione","","CC1=COC2=C1C(=O)C(=O)C3=CC=CC=C32","DUCWGVDQQLUJTG-UHFFFAOYSA-N","358639",NA,"PDBC21014","618650","Present"
-"3-Methylbenzo[g]isoquinolin-1-ol","","","","","","","","","","","","","","","","","","","","3-Methylbenzo[g]isoquinolin-1-ol","","CC1=CC2=CC3=CC=CC=C3C=C2C(=O)N1","OUQRGDPKEWFVAN-UHFFFAOYSA-N","378991",NA,"PDBC21015","662583","Present"
-"3-Methylbenzo[g]quinoxalin-2(1h)-one","","","","","","","","","","","","","","","","","","","","3-Methylbenzo[g]quinoxalin-2(1h)-one","","CC1=NC2=CC3=CC=CC=C3C=C2NC1=O","WVSNNCAWNUZFHZ-UHFFFAOYSA-N","387560",NA,"PDBC21016","681483","Present"
-"3-Methylbut-2-enoic acid, 4-nitrophenyl ester","","","","","","","","","","","","","","","","","","","","UWHFXNUVALKMIU-UHFFFAOYSA-N","","CC(=CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C","UWHFXNUVALKMIU-UHFFFAOYSA-N","358311",NA,"PDBC21017","618272","Present"
-"3-Methylbut-2-enyl 5-methyl-2-[5-methyl-2-[(2S)-1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","3-Methylbut-2-enyl 5-methyl-2-[5-methyl-2-[(2S)-1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate","","CC1=C(N=C(O1)C2CCCN2C(=O)C(C(C)C)NC(C)(C)C=C)C3=NC(=C(O3)C)C(=O)OCC=C(C)C","PFXJYHPNSWNJBP-BGERDNNASA-N","390562",NA,"PDBC21018","688048","Present"
-"3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid","","","","","","","","","","","","","","","","","","","","3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid","","CC(=C=CP(=O)(C1=CC=CC=C1)O)C","VGXOLLDHRZHIIF-UHFFFAOYSA-N","380885",NA,"PDBC21019","666669","Present"
-"3-Methylcholanthrene","","","","","","","","","","","","","","","","","","","","NSC21970","","CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1","PPQNQXQZIWHJRB-UHFFFAOYSA-N","1674",NA,"PDBC21020","21970","Present"
-"3-Methylchrysene","","","","","","","","","","","","","","","","","","","","3-Methylchrysene","","CC1=CC2=C(C=C1)C=CC3=C2C=CC4=CC=CC=C43","JLIHUJWAXSZIHS-UHFFFAOYSA-N","18781",NA,"PDBC21021","135887","Present"
-"3-Methylidene-1-phenylbutane-1,4-diol","","","","","","","","","","","","","","","","","","","","1-Phenyl-3-methylene-1,4-butanediol","","C=C(CC(C1=CC=CC=C1)O)CO","QRCPASPJZSIBLY-UHFFFAOYSA-N","359266",NA,"PDBC21022","619982","Present"
-"3-Methylidene-5-[(E)-3-methyl-4-(4-methylidene-5-oxooxolan-2-yl)but-2-enyl]oxolan-2-one","","","","","","","","","","","","","","","","","","","","3-Methylidene-5-[(E)-3-methyl-4-(4-methylidene-5-oxooxolan-2-yl)but-2-enyl]oxolan-2-one","","CC(=CCC1CC(=C)C(=O)O1)CC2CC(=C)C(=O)O2","HSGQEFWCDPPHTG-RUDMXATFSA-N","5388334",NA,"PDBC21023","634778","Present"
-"3-Methylidene-5-[2-methyl-4-(4-methylidene-5-oxooxolan-2-yl)-3-oxobutyl]oxolan-2-one","","","","","","","","","","","","","","","","","","","","3-Methylidene-5-[2-methyl-4-(4-methylidene-5-oxooxolan-2-yl)-3-oxobutyl]oxolan-2-one","","CC(CC1CC(=C)C(=O)O1)C(=O)CC2CC(=C)C(=O)O2","UXCJVXKXMQTIFR-UHFFFAOYSA-N","366410",NA,"PDBC21024","634779","Present"
-"3-Methylidene-7,9-bis(2-methylphenyl)-1,8-dioxaspiro[4.5]decan-2-one","","","","","","","","","","","","","","","","","","","","3-Methylidene-7,9-bis(2-methylphenyl)-1,8-dioxaspiro[4.5]decan-2-one","","CC1=CC=CC=C1C2CC3(CC(O2)C4=CC=CC=C4C)CC(=C)C(=O)O3","BLHJWESERKQLRX-UHFFFAOYSA-N","357608",NA,"PDBC21025","617131","Present"
-"3-Methylidenecyclopropane-1,2-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","EN300-00134","","C=C1C(C1C(=O)O)C(=O)O","XZVHROKAQFFOCA-UHFFFAOYSA-N","360528",NA,"PDBC21026","622663","Present"
-"3-Methylpentyl 4-((4-(((4-(((3-methylpentyl)oxy)carbonyl)phenyl)imino)methyl)benzylidene)amino)benzoate","","","","","","","","","","","","","","","","","","","","3-Methylpentyl 4-[[4-[[4-(3-methylpentoxycarbonyl)phenyl]iminomethyl]phenyl]methylideneamino]benzoate","","CCC(C)CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)OCCC(C)CC","XMYCPMVMVIJCBS-UHFFFAOYSA-N","367992",NA,"PDBC21027","638212","Present"
-"3-Methylrhodanine","","","","","","","","","","","","","","","","","","","","Methylrhodanine","","CN1C(=O)CSC1=S","JKLZCQWVERBDEZ-UHFFFAOYSA-N","72900",NA,"PDBC21028","14787","Present"
-"3-Methylspiro[1,3-benzoxazine-2,3'-benzo[f]chromene]-4-one","","","","","","","","","","","","","","","","","","","","3-Methylspiro[1,3-benzoxazine-2,3'-benzo[f]chromene]-4-one","","CN1C(=O)C2=CC=CC=C2OC13C=CC4=C(O3)C=CC5=CC=CC=C54","RFMTWKVXSITTGM-UHFFFAOYSA-N","392254",NA,"PDBC21029","692395","Present"
-"3-Methylsulfanyl-2-[3-methylsulfanyl-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene","","","","","","","","","","","","","","","","","","","","3-Methylsulfanyl-2-[3-methylsulfanyl-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene","","CSC1=C(SC=C1)C2=C(C=C(S2)C3=CC(=C(S3)C4=C(C=C(S4)C5=CC(=C(S5)C6=C(C=CS6)SC)SC)SC)SC)SC","OTZXZPQSNKJFFH-UHFFFAOYSA-N","397607",NA,"PDBC21030","705948","Present"
-"3-Methylsulfanyl-2-[4-methylsulfanyl-5-[3-methylsulfanyl-5-(3-methylsulfanyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene","","","","","","","","","","","","","","","","","","","","3-Methylsulfanyl-2-[4-methylsulfanyl-5-[3-methylsulfanyl-5-(3-methylsulfanyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene","","CSC1=C(SC(=C1)C2=CC=CS2)C3=CC(=C(S3)C4=C(C=C(S4)C5=C(C=C(S5)C6=CC=CS6)SC)SC)SC","MWYVPOPDDHYVSI-UHFFFAOYSA-N","397606",NA,"PDBC21031","705947","Present"
-"3-Methylsulfanyl-3-[2-oxo-2-(1-piperidyl)ethyl]indolin-2-one","","","","","","","","","","","","","","","","","","","","3-Methylsulfanyl-3-[2-oxo-2-(1-piperidyl)ethyl]indolin-2-one","","CSC1(C2=CC=CC=C2NC1=O)CC(=O)N3CCCCC3","DANLJVPCURZFLE-UHFFFAOYSA-N","326652",NA,"PDBC21032","298332","Present"
-"3-Methylsulfanyl-4-nitro-3-(2-pyridylmethyl)indolin-2-one","","","","","","","","","","","","","","","","","","","","3-Methylsulfanyl-4-nitro-3-(2-pyridylmethyl)indolin-2-one","","CSC1(C2=C(C=CC=C2[N+](=O)[O-])NC1=O)CC3=CC=CC=N3","UHHWDYRLXCGJSV-UHFFFAOYSA-N","392960",NA,"PDBC21033","694174","Present"
-"3-Methylsulfanyl-5-[(1R,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]-1H-pyrazole","","","","","","","","","","","","","","","","","","","","3-Methylsulfanyl-5-[(1R,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]-1H-pyrazole","","COC1=CC(=CC(=C1OC)OC)C2CC2C3=CC(=NN3)SC","WANWQZGNPBQHPI-WDEREUQCSA-N","24203242",NA,"PDBC21034","727287","Present"
-"3-Methylsulfanyl-5-phenyl-1,4,2-dithiazol-4-ium;perchlorate","","","","","","","","","","","","","","","","","","","","3-Methylsulfanyl-5-phenyl-1,4,2-dithiazol-4-ium;perchlorate","","CSC1=NSC(=[S+]1)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O","TWNKSDWZURRCSJ-UHFFFAOYSA-M","24202073",NA,"PDBC21035","622609","Present"
-"3-Methylsulfanyl-N,2-diphenyl-1,2,4-thiadiazol-5-imine;hydrochloride","","","","","","","","","","","","","","","","","","","","3-Methylsulfanyl-N,2-diphenyl-1,2,4-thiadiazol-5-imine;hydrochloride","","CSC1=NC(=NC2=CC=CC=C2)SN1C3=CC=CC=C3.Cl","XHZKUHKJNAVXSV-UHFFFAOYSA-N","360456",NA,"PDBC21036","622591","Present"
-"3-Methylsulfanyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine","","","","","","","","","","","","","","","","","","","","3-Methylsulfanyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine","","CSCCCN(CCCSC)CCCSC","CTMLHDKKFMBSDI-UHFFFAOYSA-N","373739",NA,"PDBC21037","650638","Present"
-"3-Methylsulfanylspiro[1,2,4-triazinane-6,9'-fluorene]-5-one","","","","","","","","","","","","","","","","","","","","3-methylsulfanylspiro[1,2,4-triazinane-6,9'-fluorene]-5-one","","CSC1NC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)NN1","ANYJAMUCTBLJNG-UHFFFAOYSA-N","377326",NA,"PDBC21038","658727","Present"
-"3-Methylsulfonyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","3-Methylsulfonyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide","","CS(=O)(=O)C1S(=O)(=O)OCCOS1(=O)=O","GYFGCYZQUPQHSE-UHFFFAOYSA-N","366455",NA,"PDBC21039","634864","Present"
-"3-Methylthieno[2,3-b]pyrrolizin-8-one","","","","","","","","","","","","","","","","","","","","3-Methylthieno[2,3-b]pyrrolizin-8-one","","CC1=CSC2=C1N3C=CC=C3C2=O","HUBAOSNDBZSWPZ-UHFFFAOYSA-N","388522",NA,"PDBC21040","683506","Present"
-"3-Methylthiophene-2-carbaldehyde 1,3-benzothiazol-2-ylhydrazone","","","","","","","","","","","","","","","","","","","","STK029050","","CC1=C(SC=C1)C=NNC2=NC3=CC=CC=C3S2","ZRMZMTYKLUGUOI-RIYZIHGNSA-N","9556270",NA,"PDBC21041","683903","Present"
-"3-Methylthioxanthone","","","","","","","","","","","","","","","","","","","","3-Methyl-9H-thioxanthen-9-one","","CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2","BQFSURDUHGBXFL-UHFFFAOYSA-N","375103",NA,"PDBC21042","654115","Present"
-"3-Morpholin-4-yl-1,2-diphenylpropan-1-one;hydrobromide","","","","","","","","","","","","","","","","","","","","3-Morpholin-4-yl-1,2-diphenylpropan-1-one;hydrobromide","","C1COCCN1CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Br","JJJUWGNILOMGSK-UHFFFAOYSA-N","54599888",NA,"PDBC21043","33560","Present"
-"3-Morpholin-4-yl-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-Morpholin-4-yl-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide","","C1COCCN1CCC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O","RYFQGVLLMZWPCP-UHFFFAOYSA-N","383030",NA,"PDBC21044","671011","Present"
-"3-N,3-N,6-N,6-N,2,7-Hexamethylacridine-3,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","3-N,3-N,6-N,6-N,2,7-Hexamethylacridine-3,6-diamine;hydrochloride","","CC1=CC2=CC3=C(C=C(C(=C3)C)N(C)C)N=C2C=C1N(C)C.Cl","FONHVKSFVXLRFA-UHFFFAOYSA-N","54602200",NA,"PDBC21045","33458","Present"
-"3-N,3-N-Dimethyl-7-N-phenyl-1lambda4,2,8-trithia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene-3,7-diamine","","","","","","","","","","","","","","","","","","","","3-N,3-N-Dimethyl-7-N-phenyl-1lambda4,2,8-trithia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene-3,7-diamine","","CN(C)C1=NC2=S(S1)SC(=N2)NC3=CC=CC=C3","ICPUAZMVXRAAMS-UHFFFAOYSA-N","360551",NA,"PDBC21046","622683","Present"
-"3-N,5-N-Bis(2,5-dimethoxyphenyl)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(2,5-dimethoxyphenyl)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=C(C=CC(=C2)OC)OC)C3=CC=CO3)C(=O)NC4=C(C=CC(=C4)OC)OC","DZCYBSHFCVALIQ-UHFFFAOYSA-N","359713",NA,"PDBC21047","621158","Present"
-"3-N,5-N-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2H-pyran-3-yl)-1,4-dihydropyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","N3,N5-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2H-pyran-3-yl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=COC3)C(=O)NC4=CC=CC=C4OC","RPXRXMIVUUNFOA-UHFFFAOYSA-N","366933",NA,"PDBC21048","636097","Present"
-"3-N,5-N-Bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-methylpyrazole-3,5-dicarboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-methylpyrazole-3,5-dicarboxamide;hydrochloride","","CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC(=NN2C)C(=O)NC3=CC(=CC(=C3)CN(C)C)N(CC)CCCl)CN(C)C.Cl","JKQMTWMRPPFETR-UHFFFAOYSA-N","384795",NA,"PDBC21049","675250","Present"
-"3-N,5-N-Dibenzyl-4-[4-[3,5-bis(benzylcarbamoyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Dibenzyl-4-[4-[3,5-bis(benzylcarbamoyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NCC5=CC=CC=C5)C)C)C(=O)NCC6=CC=CC=C6)C(=O)NCC7=CC=CC=C7","ORBLKMPXMLXLKH-UHFFFAOYSA-N","365848",NA,"PDBC21050","633922","Present"
-"3-N,6-N,2,7-Tetramethylacridine-3,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","3-N,6-N,2,7-Tetramethylacridine-3,6-diamine;hydrochloride","","CC1=CC2=CC3=C(C=C(C(=C3)C)NC)N=C2C=C1NC.Cl","CFKKFOIRBVHDTF-UHFFFAOYSA-N","54608353",NA,"PDBC21051","32967","Present"
-"3-N-(4-Chlorophenyl)-4-diphenylphosphoryl-1H-pyrazole-3,5-diamine","","","","","","","","","","","","","","","","","","","","3-N-(4-Chlorophenyl)-4-diphenylphosphoryl-1H-pyrazole-3,5-diamine","","C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(NN=C3NC4=CC=C(C=C4)Cl)N","CFMNCCZHCNFIMV-UHFFFAOYSA-N","396781",NA,"PDBC21052","703560","Present"
-"3-Naphthyloxy-1-(4-phenylpiperazinyl)propan-2-ol","","","","","","","","","","","","","","","","","","","","3-Naphthyloxy-1-(4-phenylpiperazinyl)propan-2-ol","","C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=C4","FJGNASVMAWJPOS-UHFFFAOYSA-N","260310",NA,"PDBC21053","91398","Present"
-"3-Nitro-10H-phenothiazine","","","","","","","","","","","","","","","","","","","","C12H8N2O2S","","C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)[N+](=O)[O-]","CLXYGCPNHLXLPD-UHFFFAOYSA-N","3838042",NA,"PDBC21054","675587","Present"
-"3-Nitro-12,13-dihydro-7H-[1,2,3]benzothiadiazolo[2,3-b][2,3]benzodiazepine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","3-Nitro-12,13-dihydro-7H-[1,2,3]benzothiadiazolo[2,3-b][2,3]benzodiazepine 5,5-dioxide","","C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N2CC4=CC=CC=C41","LNKWMYMEDLAPTB-UHFFFAOYSA-N","384991",NA,"PDBC21055","675818","Present"
-"3-Nitro-2-(phenylsulfonyl)pyridine","","","","","","","","","","","","","","","","","","","","3NO2-2Pyrid-SO2-Ph","","C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)[N+](=O)[O-]","QBXNQOWQGUPAEO-UHFFFAOYSA-N","371687",NA,"PDBC21056","646125","Present"
-"3-Nitro-2-phenyl-3,4-dihydro-2H-chromene","","","","","","","","","","","","","","","","","","","","3-Nitro-2-phenyl-3,4-dihydro-2H-chromene","","C1C(C(OC2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-]","DABPXYGKUXLBGY-UHFFFAOYSA-N","359822",NA,"PDBC21057","621387","Present"
-"3-Nitro-3-propylpentane-1,5-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC680478","","CCCC(CCN)(CCN)[N+](=O)[O-].Cl","QIOGPOYCPOJBOD-UHFFFAOYSA-N","387086",NA,"PDBC21058","680478","Present"
-"3-Nitro-4-(phenoxathiin-2-ylamino)chromen-2-one","","","","","","","","","","","","","","","","","","","","3-Nitro-4-(phenoxathiin-2-ylamino)-2h-chromen-2-one","","C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC4=C(C=C3)OC5=CC=CC=C5S4","LAMZEUIOTMVVRV-UHFFFAOYSA-N","403316",NA,"PDBC21059","718022","Present"
-"3-Nitro-4-(phenylsulfonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","3NO2-4(PhSO2)PhCOOH","","C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]","NKBSXLBFGRVHDX-UHFFFAOYSA-N","371685",NA,"PDBC21060","646123","Present"
-"3-Nitro-5-formylisoxazole","","","","","","","","","","","","","","","","","","","","3-Nitro-5-formylisoxazole","","C1=C(ON=C1[N+](=O)[O-])C=O","QBOPICQGFGIYPY-UHFFFAOYSA-N","362479",NA,"PDBC21061","626433","Present"
-"3-Nitro-5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Nitro-5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile","","C1=CC=C2C(=C1)NC3=C(C(=O)C4=C(N23)C=CC(=C4)[N+](=O)[O-])C#N","MLEQRFGZOBZSCD-UHFFFAOYSA-N","391674",NA,"PDBC21062","691216","Present"
-"3-Nitro-9-nitrosocarbazole","","","","","","","","","","","","","","","","","","","","3-nitro-9-nitrosocarbazole","","C1=CC=C2C(=C1)C3=C(N2N=O)C=CC(=C3)[N+](=O)[O-]","UTBGPZHMURQBBF-UHFFFAOYSA-N","79363",NA,"PDBC21063","4702","Present"
-"3-Nitro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","","","","","","","","","","","","","","","","","","","3-Nitro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]","FUDPUFLKNQGOSE-UHFFFAOYSA-N","369936",NA,"PDBC21064","642303","Present"
-"3-Nitro-N-(2,4,6-trimethylphenyl)benzenesulfinamide","","","","","","","","","","","","","","","","","","","","3-Nitro-N-(2,4,6-trimethylphenyl)benzenesulfinamide","","CC1=CC(=C(C(=C1)C)NS(=O)C2=CC=CC(=C2)[N+](=O)[O-])C","WXIPTMNGQMLYBN-UHFFFAOYSA-N","375382",NA,"PDBC21065","655053","Present"
-"3-Nitro-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","3-Nitro-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]","NYEGPZCFMPCJMW-UHFFFAOYSA-N","376422",NA,"PDBC21066","657336","Present"
-"3-Nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","3-Nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide","","C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)S(=O)(=O)N","CJCAHWZPHQVRDD-UHFFFAOYSA-N","394899",NA,"PDBC21067","698991","Present"
-"3-Nitro-N-[2-[2-[(3-nitroacridin-9-yl)amino]phenyl]phenyl]acridin-9-amine","","","","","","","","","","","","","","","","","","","","3-Nitro-N-[2-[2-[(3-nitroacridin-9-yl)amino]phenyl]phenyl]acridin-9-amine","","C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=CC=C4C5=CC=CC=C5NC6=C7C=CC(=CC7=NC8=CC=CC=C86)[N+](=O)[O-]","ISSSEOSGVUQSEM-UHFFFAOYSA-N","3694250",NA,"PDBC21068","645158","Present"
-"3-Nitro-N-pyridin-3-ylbenzamide","","","","","","","","","","","","","","","","","","","","CBMicro_036338","","C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CN=CC=C2","SUFBXXRIPSNILO-UHFFFAOYSA-N","308753",NA,"PDBC21069","210816","Present"
-"3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide","","","","","","","","","","","","","","","","","","","","Benzoic acid, m-nitro-, salicylidenehydrazide","","C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O","RMHSVTCXLRMIRJ-OQLLNIDSSA-N","135408681",NA,"PDBC21070","58539","Present"
-"3-Nitrobenzamide","","","","","","","","","","","","","","","","","","","","m-Nitrobenzamide","","C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N","KWAYEPXDGHYGRW-UHFFFAOYSA-N","12576",NA,"PDBC21071","37327","Present"
-"3-Nitrobenzanilide","","","","","","","","","","","","","","","","","","","","3-Nitrobenzanilide","","C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]","VWIRWLAPFZXYSL-UHFFFAOYSA-N","347755",NA,"PDBC21072","406596","Present"
-"3-Nitrodibenzothiophene-5-oxide","","","","","","","","","","","","","","","","","","","","3-Nitrodibenzothiophene-5-oxide","","C1=CC=C2C(=C1)C3=C(S2=O)C=C(C=C3)[N+](=O)[O-]","BBSNLPXHXFJCJE-UHFFFAOYSA-N","5361852",NA,"PDBC21073","170578","Present"
-"3-Nitronaphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-Nitro-1,2-naphthoquinone","","C1=CC=C2C(=C1)C=C(C(=O)C2=O)[N+](=O)[O-]","YNWHDIBCLPJLPQ-UHFFFAOYSA-N","344277",NA,"PDBC21074","401101","Present"
-"3-Nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one","","","","","","","","","","","","","","","","","","","","3-Nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one","","C1CC2C(N(C(C(C1)C2=O)C3=CC=CC=C3)N=O)C4=CC=CC=C4","SOUCXSPGNDLPLZ-UHFFFAOYSA-N","362611",NA,"PDBC21075","626741","Present"
-"3-O-(2-Nitrooxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","2-(Nitrooxy)ethyl propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-]","UUVQSTXXCLOSJD-UHFFFAOYSA-N","382117",NA,"PDBC21076","669510","Present"
-"3-O-(2-Nitrooxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","2-(Nitrooxy)ethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-]","HMBFMVGEQHJWAS-UHFFFAOYSA-N","382120",NA,"PDBC21077","669513","Present"
-"3-O-(2-Nitrooxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","3-O-(2-Nitrooxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2C(F)(F)F)C(=O)OCCO[N+](=O)[O-]","JSLJMTKGMNOXIC-UHFFFAOYSA-N","382114",NA,"PDBC21078","669507","Present"
-"3-O-(Carboxymethyl)estrone","","","","","","","","","","","","","","","","","","","","NSC86467","","CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC(=O)O","XSDCLHQDGODZPZ-WWNBULGVSA-N","225289",NA,"PDBC21079","86467","Present"
-"3-O-Acetyl-4,6-dideoxy-1,2-O-ethenylidene-4-(((2,2,2-trichloroethoxy)carbonyl)amino)hexopyranose","","","","","","","","","","","","","","","","","","","","[5-Methyl-2-methylidene-6-(2,2,2-trichloroethoxycarbonylamino)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-yl] acetate","","CC1C(C(C2C(O1)OC(=C)O2)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl","LWLULDBWIUTAFQ-UHFFFAOYSA-N","375640",NA,"PDBC21080","655462","Present"
-"3-O-Methyl-16-benzoylethenyl-17-(thien-3-yl)-estra-1,5(10),16-tetraen-3-ol","","","","","","","","","","","","","","","","","","","","3-O-Methyl-16-benzoylethenyl-17-(thien-3-yl)-estra-1,3,5...","","CC12CCC3C(C1CC(=C2C4=CSC=C4)C=CC(=O)C5=CC=CC=C5)CCC6=C3C=CC(=C6)OC","VNQJZUDOVFXSON-RZDIZFASSA-N","45027910",NA,"PDBC21081","740083","Present"
-"3-O-Methyl-16-benzoylethenylestra-1,5(10),16-tetraen-3-ol","","","","","","","","","","","","","","","","","","","","3-O-Methyl-16-benzoylethenylestra-1,3,5(10),16-tetraen-3-ol","","CC12CCC3C(C1CC(=C2)C=CC(=O)C4=CC=CC=C4)CCC5=C3C=CC(=C5)OC","GITBNXSQSDKQSB-WWRPRQMMSA-N","45027973",NA,"PDBC21082","740365","Present"
-"3-O-Methyl-16-formyl-17-(2'-furyl)estra-1,5(10),16-tetraen-3-ol","","","","","","","","","","","","","","","","","","","","3-O-Methyl-16-formyl-17-(2'-furyl)estra-1,3,5(10),16-tet...","","CC12CCC3C(C1CC(=C2C4=CC=CO4)C=O)CCC5=C3C=CC(=C5)OC","XHRARAYRNOJEQI-YOEKFXIASA-N","24204972",NA,"PDBC21083","733795","Present"
-"3-O-Methyl-estra-1,5(10)-trien-3-ol-17-one 17-oxime 17-O-phenylacetate","","","","","","","","","","","","","","","","","","","","3-O-Methyl-estra-1,3,5(10)-trien-3-ol-17-one 17-oxime 17...","","CC12CCC3C(C1CCC2=NOC(=O)CC4=CC=CC=C4)CCC5=C3C=CC(=C5)OC","JRYOKDUARZCSPH-QJSJZQIFSA-N","24205113",NA,"PDBC21084","734306","Present"
-"3-O-Methylestra-1,5(10),6-tetraeno[17,16b]-N-methyl-3'-met hoxy-5'-nitroindole","","","","","","","","","","","","","","","","","","","","3-O-Methylestra-1,3,5(10),6-tetraeno[17,16b]-N-methyl-3'...","","CC12CCC3C(C1CC4=C2N(C5=C4C=C(C=C5OC)[N+](=O)[O-])C)CCC6=C3C=CC(=C6)OCC7=CC=CC=C7","PIYBTMQPZAMKNB-WXZAPTBBSA-N","24205281",NA,"PDBC21085","734938","Present"
-"3-O-[2-Azidoethoxy(hydroxy)phosphoryl]-2-O-dodecoyl-1-O-dodecylglycerol","","","","","","","","","","","","","","","","","","","","3-O-[2-Azidoethoxy(hydroxy)phosphoryl]-2-O-dodecoyl-1-O-...","","CCCCCCCCCCCCOCC(COP(=O)(O)OCCN=[N+]=[N-])OC(=O)CCCCCCCCCCC","ZNAMFYVUJHBMPW-UHFFFAOYSA-N","392614",NA,"PDBC21086","693170","Present"
-"3-O-[[(1R,7S)-7-Ethenyl-4b-hydroxy-1,4a,7-trimethyl-2,3,4,5,6,8,8a,9,10,10a-decahydrophenanthren-1-yl]methyl] 1-O-methyl propanedioate","","","","","","","","","","","","","","","","","","","","3-O-[[(1R,7S)-7-Ethenyl-4b-hydroxy-1,4a,7-trimethyl-2,3,4,5,6,8,8a,9,10,10a-decahydrophenanthren-1-yl]methyl] 1-O-methyl propanedioate","","CC1(CCC2(C(C1)CCC3C2(CCCC3(C)COC(=O)CC(=O)OC)C)O)C=C","XDJJITKEIQBIQA-OKAZQSHSSA-N","5459206",NA,"PDBC21087","646016","Present"
-"3-Oxa-1-aza-2$l^{2}-iridabicyclo[3.3.0]octan-4-one; trimethylphosphane","","","","","","","","","","","","","","","","","","","","3-Oxa-1-aza-2$l^{2}-iridabicyclo[3.3.0]octan-4-one; trimethylphosphane","","","","",NA,"PDBC21088","658198","Present"
-"3-Oxatricyclo[7.3.1.05,13]tridecane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Oxatricyclo[7.3.1.05,13]tridecane-2,4-dione","","C1CC2CCCC3C2C(C1)C(=O)OC3=O","WDIMUBDLUKCUID-UHFFFAOYSA-N","304952",NA,"PDBC21089","201680","Present"
-"3-Oxazolidinecarbothioamide, 2-imino-N-phenyl-5-[(4-phenyl-1-piperazinyl)methyl]-","","","","","","","","","","","","","","","","","","","","3-Oxazolidinecarbothioamide, 2-imino-N-phenyl-5-[(4-phenyl-1-piperazinyl)methyl]-","","C1CN(CCN1CC2CN(C(=N)O2)C(=S)NC3=CC=CC=C3)C4=CC=CC=C4","DLNAGIRFNFNTOI-UHFFFAOYSA-N","3003536",NA,"PDBC21090","690605","Present"
-"3-Oxido-2-phenyl-1,3-benzoxazol-3-ium","","","","","","","","","","","","","","","","","","","","3-oxido-2-phenyl-1,3-benzoxazol-3-ium","","C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3O2)[O-]","KMWQCJBXVNPTKP-UHFFFAOYSA-N","367133",NA,"PDBC21091","636520","Present"
-"3-Oxido-5-phenyl-[1,2,5]oxadiazolo[3,4-c]quinolin-3-ium-4-one","","","","","","","","","","","","","","","","","","","","5-Phenyl-4-oxo-oxadiazolo(5,4-c)quinolin-3-N-oxide (furo...","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=NO[N+](=C4C2=O)[O-]","GBTABEKZHZKBOU-UHFFFAOYSA-N","387476",NA,"PDBC21092","681279","Present"
-"3-Oxido-7-phenyl-triazolo[4,5-g][2,1,3]benzoxadiazol-3-ium","","","","","","","","","","","","","","","","","","","","7H-[1,2,3]Triazolo[4,5-e]-2,1-3-benzoxadiazole, 7-phenyl...","","C1=CC=C(C=C1)N2N=C3C=CC4=[N+](ON=C4C3=N2)[O-]","OYDOZGXSGKAQOH-UHFFFAOYSA-N","379424",NA,"PDBC21093","663966","Present"
-"3-Oxo-2-phenyl-3,5-dihydro-2H-pyrazolo(3,4-d)thieno(2,3-b)pyridine-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","2H-Pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylic aci...","","C1=CC=C(C=C1)N2C(=O)C3=CN=C4C(=C3N2)C=C(S4)C(=O)O","HBGFUURNRFSZLN-UHFFFAOYSA-N","374930",NA,"PDBC21094","653543","Present"
-"3-Oxo-3-phenyl-1-propynyl(phenyl)phosphinic acid","","","","","","","","","","","","","","","","","","","","3-Oxo-3-phenyl-1-propynyl(phenyl)phosphinic acid","","C1=CC=C(C=C1)C(=O)C#CP(=O)(C2=CC=CC=C2)O","JRNHECCROQCCDW-UHFFFAOYSA-N","380897",NA,"PDBC21095","666679","Present"
-"3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride","","","","","","","","","","","","","","","","","","","","NRLDWWRFCBQNPX-UHFFFAOYSA-N","","CCOC(=N)CC(=O)C1=CC=CC=C1.Cl","NRLDWWRFCBQNPX-UHFFFAOYSA-N","359953",NA,"PDBC21096","621666","Present"
-"3-Oxo-4-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Oxo-4-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-carboxylic acid","","C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)O)C(=O)O","NOUGILLUWOKUKU-UHFFFAOYSA-N","281356",NA,"PDBC21097","134138","Present"
-"3-Oxo-4-androstene-2-carbonitrile-4,17beta-diol","","","","","","","","","","","","","","","","","","","","3-Oxo-4-androstene-2-carbonitrile-4,17.beta.-diol","","CC12CCC3C(C1CCC2O)CCC4=C(C(=O)C(CC34C)C#N)O","OWPZGBFPVXSVIP-JQATYNBUSA-N","362463",NA,"PDBC21098","626412","Present"
-"3-Oxo-6-heptenoic acid benzyl ester","","","","","","","","","","","","","","","","","","","","3-Oxo-6-heptenoic acid benzyl ester","","C=CCCC(=O)CC(=O)OCC1=CC=CC=C1","PRKFQOVBXGIFTE-UHFFFAOYSA-N","359299",NA,"PDBC21099","620047","Present"
-"3-Oxo-8-azabicyclo[3.2.1]octane-8-carbonitrile","","","","","","","","","","","","","","","","","","","","8-Cyano-8-azabicyclo[3.2.1]octan-3-one","","C1CC2CC(=O)CC1N2C#N","ABNFNHUEWPDNCU-UHFFFAOYSA-N","384304",NA,"PDBC21100","673919","Present"
-"3-Oxo-N-phenyl-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","3-Oxo-N-phenyl-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide","","C1CCN(CC1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4","RQYCPDRSXZCLTC-UHFFFAOYSA-N","386788",NA,"PDBC21101","679496","Present"
-"3-Oxo-N-phenyl-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide","","","","","","","","","","","","","","","","","","","","3-Oxo-N-phenyl-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide","","C1C(N(N=C1N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4)C5=CC=CC=C5","LATBMLLCWMFQGJ-UHFFFAOYSA-N","389693",NA,"PDBC21102","686237","Present"
-"3-Oxo-n-[2-(trifluoromethyl)phenyl]butanamide","","","","","","","","","","","","","","","","","","","","STK711023","","CC(=O)CC(=O)NC1=CC=CC=C1C(F)(F)F","VATRWWPJWVCZTA-UHFFFAOYSA-N","366757",NA,"PDBC21103","635530","Present"
-"3-Oxospiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid","","","","","","","","","","","","","","","","","","","","Spiro[s-indacene-2(1H),2'-[2H]indene]-8-carboxylic acid,...","","C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4=O)C(=C2C1)C(=O)O","JJJOCVOYRWCBRA-UHFFFAOYSA-N","384728",NA,"PDBC21104","674964","Present"
-"3-PEG FUDR   (PEG FLOXURIDINE)","","","","","","","","","","","","","","","","","","","","3-PEG FUDR   (PEG FLOXURIDINE)","","","","",NA,"PDBC21105","744673","Present"
-"3-Pent-4-enylpiperidine-2-thione","","","","","","","","","","","","","","","","","","","","3-Pent-4-enylpiperidine-2-thione","","C=CCCCC1CCCNC1=S","DJAKUKPDSYXTKU-UHFFFAOYSA-N","3004384",NA,"PDBC21106","649425","Present"
-"3-Phenanthrenemethanol, hydrochloride","","","","","","","","","","","","","","","","","","","","wln: l b666j eyq1n2&2 &gh","","CCN(CC)CC(C1=CC2=C(C=CC3=CC=CC=C32)C=C1)O.Cl","DSEVZPBSGUGCAY-UHFFFAOYSA-N","24180872",NA,"PDBC21107","2052","Present"
-"3-Phenanthrenepropionic acid, hydrazide","","","","","","","","","","","","","","","","","","","","3-PHENANTHRENEPROPIONIC ACID, HYDRAZIDE","","C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCC(=O)NN","DWPVXPWVRGYTRD-UHFFFAOYSA-N","219939",NA,"PDBC21108","1760","Present"
-"3-Phenethyl-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","3-Phenethyl-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-5-one","","C1C2=C(NCN1CCC3=CC=CC=C3)SC4=CC=CC=C4C2=O","XYDKCXQTDWLPCO-UHFFFAOYSA-N","389844",NA,"PDBC21109","686476","Present"
-"3-Phenoxy-2,4,5-triphenyl-3,4-dihydro-2H-1,2,3-diazaphosphole 3-oxide","","","","","","","","","","","","","","","","","","","","3-Phenoxy-2,4,5-triphenyl-3,4-dihydro-2H-1,2,3-diazaphosphole 3-oxide","","C1=CC=C(C=C1)C2C(=NN(P2(=O)OC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","KLAWGOKDMUSYCT-UHFFFAOYSA-N","370142",NA,"PDBC21110","642778","Present"
-"3-Phenoxy-2,4-dihydro-1H-pyrido[3,4-d]azaphosphinine 3-oxide","","","","","","","","","","","","","","","","","","","","3-Phenoxy-2,4-dihydro-1H-pyrido[3,4-d]azaphosphinine 3-oxide","","C1C2=C(CP(=O)(N1)OC3=CC=CC=C3)C=NC=C2","JHEWROPSJRNKOB-UHFFFAOYSA-N","395842",NA,"PDBC21111","700845","Present"
-"3-Phenoxy-7-acetoxycoumarin","","","","","","","","","","","","","","","","","","","","3-Phenoxy-7-acetoxycoumarin","","CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC=CC=C3","RRCRHRVUNXOHES-UHFFFAOYSA-N","386363",NA,"PDBC21112","678247","Present"
-"3-Phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine","","","","","","","","","","","","","","","","","","","","3-Phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine","","C1C(=NNC2N1C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5","FAYPZHNTUGZDIX-UHFFFAOYSA-N","290348",NA,"PDBC21113","153625","Present"
-"3-Phenyl-1-piperidino-2-propyn-1-one","","","","","","","","","","","","","","","","","","","","3-phenyl-1-piperidino-2-propyn-1-one","","C1CCN(CC1)C(=O)C#CC2=CC=CC=C2","UZCUKRQNGYSLLG-UHFFFAOYSA-N","99266",NA,"PDBC21114","203232","Present"
-"3-Phenyl-1-pyridin-2-yl-1,2,4-benzotriazin-7-one","","","","","","","","","","","","","","","","","","","","3-phenyl-1-pyridin-2-yl-1,2,4-benzotriazin-7(1H)-one","","C1=CC=C(C=C1)C2=NN(C3=CC(=O)C=CC3=N2)C4=CC=CC=N4","DWUMNFNYQYDEEC-UHFFFAOYSA-N","155816849",NA,"PDBC21115","780816","Present"
-"3-Phenyl-2,3-dihydropyrrolizin-1-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-2,3-dihydropyrrolizin-1-one","","C1C(N2C=CC=C2C1=O)C3=CC=CC=C3","SORGYBPGEGZLST-UHFFFAOYSA-N","389729",NA,"PDBC21116","686321","Present"
-"3-Phenyl-2-(3-phenyl-1H-indol-2-yl)-1H-indole","","","","","","","","","","","","","","","","","","","","3-Phenyl-2-(3-phenyl-1H-indol-2-yl)-1H-indole","","C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=C(C5=CC=CC=C5N4)C6=CC=CC=C6","JTJIDXMVHNOQFC-UHFFFAOYSA-N","403192",NA,"PDBC21117","717844","Present"
-"3-Phenyl-2-(piperazin-1-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-2-(piperazin-1-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one","","C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)CN5CCNCC5","ZVWVSENURKSMAZ-UHFFFAOYSA-N","394568",NA,"PDBC21118","698133","Present"
-"3-Phenyl-2-(prop-2-ynylamino)propanoic acid","","","","","","","","","","","","","","","","","","","","N-(2-Propynyl)phenylalanine","","C#CCNC(CC1=CC=CC=C1)C(=O)O","HVEVLKKVVGKBPS-UHFFFAOYSA-N","393710",NA,"PDBC21119","696223","Present"
-"3-Phenyl-2-[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidine-hydrazono]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-phenyl-2-[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidi...","","CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN=C3N(C(=O)CS3)C4=CC=CC=C4","BFLHKUIPCYCBAO-ISURTVLTSA-N","9572521",NA,"PDBC21120","720056","Present"
-"3-Phenyl-2-[1,1,4-trimethyl-4-(3-phenyloxaziridin-2-yl)pentyl]oxaziridine","","","","","","","","","","","","","","","","","","","","3-Phenyl-2-[1,1,4-trimethyl-4-(3-phenyloxaziridin-2-yl)pentyl]oxaziridine","","CC(C)(CCC(C)(C)N1C(O1)C2=CC=CC=C2)N3C(O3)C4=CC=CC=C4","ZVYPDPQJQPXXNB-UHFFFAOYSA-N","391643",NA,"PDBC21121","691129","Present"
-"3-Phenyl-2-thia-3a,10-diaza-1H,3H-pentaleno[1,2-b]naphthalene","","","","","","","","","","","","","","","","","","","","12-Phenyl-13-thia-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,15-hexaene","","C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=CC=CC=C5","DQRKXWZEFXOJFA-UHFFFAOYSA-N","388799",NA,"PDBC21122","683886","Present"
-"3-Phenyl-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one","","","","","","","","","","","","","","","","","","","","5-Phenyl-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one","","C1CCC2=C(C1)C3=C(S2)N=C4CN(C=NN4C3=O)C5=CC=CC=C5","VKRUNRAUMSSKDX-UHFFFAOYSA-N","390739",NA,"PDBC21123","688498","Present"
-"3-Phenyl-3-(2-pyridinyl)-2-pyrrolidinimine","","","","","","","","","","","","","","","","","","","","3-Phenyl-3-(2-pyridinyl)-2-pyrrolidinimine","","C1CN=C(C1(C2=CC=CC=C2)C3=CC=CC=N3)N","BUXCXIMTSPEAGF-UHFFFAOYSA-N","364691",NA,"PDBC21124","631343","Present"
-"3-Phenyl-3-(3-(1-piperidinyl)propyl)-2-oxaspiro[4.4]nonan-1-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-3-(3-(1-piperidinyl)propyl)-2-oxaspiro[4.4]nonan-1-one","","C1CCN(CC1)CCCC2(CC3(CCCC3)C(=O)O2)C4=CC=CC=C4","NSFNYNUCADHZSX-UHFFFAOYSA-N","380240",NA,"PDBC21125","665719","Present"
-"3-Phenyl-3-(phenylsulfanyl)propanoic acid","","","","","","","","","","","","","","","","","","","","NSC12770","","C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC=C2","CDSMEKVWCGNQNJ-UHFFFAOYSA-N","224379",NA,"PDBC21126","12770","Present"
-"3-Phenyl-3a,4,11,11a-tetrahydro[1,6]benzodioxocino[3,4-d]isoxazole","","","","","","","","","","","","","","","","","","","","3-Phenyl-3a,4,11,11a-tetrahydro[1,6]benzodioxocino[3,4-d]isoxazole","","C1C2C(COC3=CC=CC=C3O1)ON=C2C4=CC=CC=C4","IIAKATNTLDMOGD-UHFFFAOYSA-N","365775",NA,"PDBC21127","633846","Present"
-"3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione","","","","","","","","","","","","","","","","","","","","3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=S)N2C4=CC=CC=C4","NZMXBTYRQWCQMS-UHFFFAOYSA-N","383236",NA,"PDBC21128","671351","Present"
-"3-Phenyl-4,6-dihydro-[1,2,4]triazino[3,4-a]phthalazin-7-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-4h-[1,2,4]triazino[3,4-a]phthalazin-7(6h)-one","","C1C(=NN=C2N1NC(=O)C3=CC=CC=C32)C4=CC=CC=C4","RDFSDFSADMCVKD-UHFFFAOYSA-N","406138",NA,"PDBC21129","724137","Present"
-"3-Phenyl-4-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-4-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N3C=NN=C3","BJBJFAOIDLIHGT-UHFFFAOYSA-N","387572",NA,"PDBC21130","681529","Present"
-"3-Phenyl-4-(1-piperidinyl)-2H-furo[2,3-h]chromen-2-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-4-(1-piperidinyl)-2H-furo[2,3-h]chromen-2-one","","C1CCN(CC1)C2=C(C(=O)OC3=C2C=CC4=C3C=CO4)C5=CC=CC=C5","XIQSAVRUNYLUBQ-UHFFFAOYSA-N","362854",NA,"PDBC21131","627258","Present"
-"3-Phenyl-4-(phenyliminomethyl)-2H-1,2-oxazole-5-thione","","","","","","","","","","","","","","","","","","","","3-Phenyl-4-(phenyliminomethyl)-2H-1,2-oxazole-5-thione","","C1=CC=C(C=C1)C2=C(C(=S)ON2)C=NC3=CC=CC=C3","NIPUVEQOMNBTGO-UHFFFAOYSA-N","3259678",NA,"PDBC21132","619161","Present"
-"3-Phenyl-4-(trimethylsilyl)-3-butenyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","3-Phenyl-4-(trimethylsilyl)-3-butenyl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OCCC(=C[Si](C)(C)C)C2=CC=CC=C2","CJQOKONQGSFPPB-KNTRCKAVSA-N","5386719",NA,"PDBC21133","617353","Present"
-"3-Phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","COC1=CC(=CC(=C1OC)OC)C=NN2C(=NNC2=O)C3=CC=CC=C3","NKDCDUBMDHRUOO-YBFXNURJSA-N","9556392",NA,"PDBC21134","702400","Present"
-"3-Phenyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CN=CC=C3","OAFQNSZMDGQKQH-MHWRWJLKSA-N","9571951",NA,"PDBC21135","677778","Present"
-"3-Phenyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=NC=C3","UZVUYTGFIYCSMG-MHWRWJLKSA-N","9571525",NA,"PDBC21136","678399","Present"
-"3-Phenyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CS3","OJHJXKXXNKAHRS-NTEUORMPSA-N","9556347",NA,"PDBC21137","698056","Present"
-"3-Phenyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N3C=CC=C3","WRTUXDZNZDHHAK-UHFFFAOYSA-N","388867",NA,"PDBC21138","684060","Present"
-"3-Phenyl-4-vinyl-9H-pyrido[2,3-b]indole","","","","","","","","","","","","","","","","","","","","3-Phenyl-4-vinyl-9H-pyrido[2,3-b]indole","","C=CC1=C2C3=CC=CC=C3NC2=NC=C1C4=CC=CC=C4","ROLHPJCFNDUCCY-UHFFFAOYSA-N","373945",NA,"PDBC21139","650977","Present"
-"3-Phenyl-5,7-bis(sulfanyl)thiazolo[4,5-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","3-Phenyl-5,7-bis(sulfanyl)thiazolo[4,5-d]pyrimidine-2-thione","","C1=CC=C(C=C1)N2C3=C(C(=S)NC(=S)N3)SC2=S","LHPBLARKAFXYFQ-UHFFFAOYSA-N","3004398",NA,"PDBC21140","650589","Present"
-"3-Phenyl-5-(3-phenyl-1,2-oxazol-5-yl)-1,2-oxazole","","","","","","","","","","","","","","","","","","","","3-Phenyl-5-(3-phenyl-1,2-oxazol-5-yl)-1,2-oxazole","","C1=CC=C(C=C1)C2=NOC(=C2)C3=CC(=NO3)C4=CC=CC=C4","AQFFLALJEYAWJG-UHFFFAOYSA-N","404229",NA,"PDBC21141","720408","Present"
-"3-Phenyl-5-methyl-1-thia-3,4,5a,9,10-pentaazacyclopenta[a]fluorene-2(3H)-thione","","","","","","","","","","","","","","","","","","","","8-Methyl-5-phenyl-3-thia-5,7,9,14,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),7,10(15),11,13-hexaene-4-thione","","CC1=NC2=C(C3=NC4=C(N13)C=CC=N4)SC(=S)N2C5=CC=CC=C5","MSILFMRUQFROEC-UHFFFAOYSA-N","400140",NA,"PDBC21142","711634","Present"
-"3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one","","","","","","","","","","","","","","","","","","","","GNF-PF-2307","","C1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2","ORLUBUYLVCUFDE-UHFFFAOYSA-N","379337",NA,"PDBC21143","663883","Present"
-"3-Phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid","","C1CC2=NN=C(N2C1C(=O)O)C3=CC=CC=C3","FIKPWKRRSVNLKZ-UHFFFAOYSA-N","366804",NA,"PDBC21144","635576","Present"
-"3-Phenyl-6-(2,4-dichloro-5-fluorophenyl)-7-(3,4-dimethoxybenzylidene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","(7Z)-6-(2,4-Dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","COC1=C(C=C(C=C1)C=C2C(=NN3C(=NN=C3S2)C4=CC=CC=C4)C5=CC(=C(C=C5Cl)Cl)F)OC","CGRDTHBHJNOUPW-JJFYIABZSA-N","5471718",NA,"PDBC21145","713309","Present"
-"3-Phenyl-6-(trifluoromethyl)-2-(3,4,5-trimethoxyphenoxy)quinoxaline","","","","","","","","","","","","","","","","","","","","3-Phenyl-6-(trifluoromethyl)-2-(3,4,5-trimethoxyphenoxy)quinoxaline","","COC1=CC(=CC(=C1OC)OC)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","FGLGRCDXJOUAFW-UHFFFAOYSA-N","384950",NA,"PDBC21146","675774","Present"
-"3-Phenyl-6-(trifluoromethyl)-2-quinoxalinol","","","","","","","","","","","","","","","","","","","","3-Phenyl-6-(trifluoromethyl)-2-quinoxalinol","","C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)NC2=O","SSIFLBSQFKMBCX-UHFFFAOYSA-N","383936",NA,"PDBC21147","672892","Present"
-"3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine","","COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","NHAJKNRIXZORCC-UHFFFAOYSA-N","369883",NA,"PDBC21148","642077","Present"
-"3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","BLLLWQFFAATCQJ-UHFFFAOYSA-N","364818",NA,"PDBC21149","631578","Present"
-"3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxybenzyl)-2,8-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxybenzyl)-2,8-quinoxalinediamine","","COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","YVZHDTCNPFPGSC-UHFFFAOYSA-N","371581",NA,"PDBC21150","645931","Present"
-"3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxyphenyl)-2,8-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","Quinoxaline-3,5-diamine, 7-(trifluoromethyl)- N(3)-(3,4,...","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","CPENCQLCQQLXCD-UHFFFAOYSA-N","367570",NA,"PDBC21151","637404","Present"
-"3-Phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine","","","","","","","","","","","","","","","","","","","","3-Phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine","","C1=CC=C(C=C1)C2=NC3=CC(=CC(=C3N=C2N)N)C(F)(F)F","OXTLTUQJSNCLKF-UHFFFAOYSA-N","371169",NA,"PDBC21152","645170","Present"
-"3-Phenyl-6-[(3,4,5-trimethoxyanilino)methyl]-1,4-benzoxazin-2-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2H-1,4-benzoxazin-2-one","","COC1=CC(=CC(=C1OC)OC)NCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4","KCTCDGFLSGVBQO-UHFFFAOYSA-N","379474",NA,"PDBC21153","664028","Present"
-"3-Phenyl-6-[(3,4,5-trimethoxyphenoxy)methyl]-1,4-benzoxazin-2-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-6-[(3,4,5-trimethoxyphenoxy)methyl]-2H-1,4-benzoxazin-2-one","","COC1=CC(=CC(=C1OC)OC)OCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4","KYHWBKGXMRMORI-UHFFFAOYSA-N","380465",NA,"PDBC21154","666061","Present"
-"3-Phenyl-6-[[3,4,5-trimethoxy-N-[(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)methyl]anilino]methyl]-1,4-benzoxazin-2-one","","","","","","","","","","","","","","","","","","","","3-Phenyl-6-[[3,4,5-trimethoxy-N-[(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)methyl]anilino]methyl]-1,4-benzoxazin-2-one","","COC1=CC(=CC(=C1OC)OC)N(CC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4)CC5=CC6=C(C=C5)OC(=O)C(=N6)C7=CC=CC=C7","RRTFMZNZNAAMCT-UHFFFAOYSA-N","379475",NA,"PDBC21155","664029","Present"
-"3-Phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione","","C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=CC=C3","MTNMBZAPUAXJPN-UHFFFAOYSA-N","386640",NA,"PDBC21156","679097","Present"
-"3-Phenyl-7-((3,4,5-trimethoxyanilino)methyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","3-Phenyl-7-((3,4,5-trimethoxyanilino)methyl)-2-quinoxalinamine","","COC1=CC(=CC(=C1OC)OC)NCC2=CC3=C(C=C2)N=C(C(=N3)N)C4=CC=CC=C4","IBGBQRSPXAPFEG-UHFFFAOYSA-N","380873",NA,"PDBC21157","666616","Present"
-"3-Phenyl-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","3-Phenyl-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","RYWPHYDCEZFBHY-UHFFFAOYSA-N","364819",NA,"PDBC21158","631579","Present"
-"3-Phenyl-7-[(3,4,5-trimethoxyphenoxy)methyl]quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","3-Phenyl-7-[(3,4,5-trimethoxyphenoxy)methyl]quinoxalin-2-amine","","COC1=CC(=CC(=C1OC)OC)OCC2=CC3=C(C=C2)N=C(C(=N3)N)C4=CC=CC=C4","UHOWMJFKNCWQJJ-UHFFFAOYSA-N","393998",NA,"PDBC21159","697101","Present"
-"3-Phenyl-8-(1-pyrrolidinyl)-8H-thieno[2,3-b]pyrrolizine","","","","","","","","","","","","","","","","","","","","3-Phenyl-8-(1-pyrrolidinyl)-8H-thieno[2,3-b]pyrrolizine","","C1CCN(C1)C2C3=CC=CN3C4=C2SC=C4C5=CC=CC=C5","OIIGPQKNFGHEGO-UHFFFAOYSA-N","385456",NA,"PDBC21160","676694","Present"
-"3-Phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-ynamide","","","","","","","","","","","","","","","","","","","","3-Phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-ynamide","","C1=CC=C(C=C1)C=CCNC(=O)C#CC2=CC=CC=C2","DLPPTWSFKHLIFX-KPKJPENVSA-N","5357750",NA,"PDBC21161","86448","Present"
-"3-Phenyl-N-propan-2-ylbutan-2-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC289468","","CC(C)NC(C)C(C)C1=CC=CC=C1.Cl","ZARWHNZDQUCLGY-UHFFFAOYSA-N","21139349",NA,"PDBC21162","289468","Present"
-"3-Phenylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC31995","","C1C2C=CC1C(C2C3=CC=CC=C3)C(=O)O","PWQBPEKAJJSVFH-UHFFFAOYSA-N","233466",NA,"PDBC21163","31995","Present"
-"3-Phenylbicyclo[2.2.1]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC31996","","C1CC2CC1C(C2C(=O)O)C3=CC=CC=C3","NNUSVTIAASPYFL-UHFFFAOYSA-N","233467",NA,"PDBC21164","31996","Present"
-"3-Phenylimino-5,1-c][1,2,4]thiadiazole-7-carbothioic acid phenylamide","","","","","","","","","","","","","","","","","","","","3-Phenylimino-5,6-dihydro-imidazo[2,1-c][1,2,4]thiadiazo...","","C1CN(C2=NSC(=NC3=CC=CC=C3)N21)C(=S)NC4=CC=CC=C4","XJFXHLNGLULCEN-UHFFFAOYSA-N","24204737",NA,"PDBC21165","732633","Present"
-"3-Phenyloxatriazol-3-ium-5-amine;chloride","","","","","","","","","","","","","","","","","","","","1,2,3,4-Oxatriazolium, 5-amino-3-phenyl-, chloride","","C1=CC=C(C=C1)[N+]2=NOC(=N2)N.[Cl-]","QYSDAYOVDDUVNM-UHFFFAOYSA-M","319742",NA,"PDBC21166","265204","Present"
-"3-Phenylpyrrolo[2,1-a]isoquinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","Pyrrolo[2,1-a]isoquinoline-2-carboxamide, 3-phenyl-","","C1=CC=C(C=C1)C2=C(C=C3N2C=CC4=CC=CC=C43)C(=O)N","UZXDPDNFVGMTNW-UHFFFAOYSA-N","261413",NA,"PDBC21167","93427","Present"
-"3-Phenylsulfanyl-2-propan-2-yl-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","3-Phenylsulfanyl-2-propan-2-yl-2H-furan-5-one","","CC(C)C1C(=CC(=O)O1)SC2=CC=CC=C2","LPVKTKGNGDUVOK-UHFFFAOYSA-N","336045",NA,"PDBC21168","349006","Present"
-"3-Phenylsulfanylpropanehydrazide","","","","","","","","","","","","","","","","","","","","3-Phenylsulfanylpropanehydrazide","","C1=CC=C(C=C1)SCCC(=O)NN","CKHPOCWCCXUBPP-UHFFFAOYSA-N","222880",NA,"PDBC21169","9928","Present"
-"3-Phenylsydnon","","","","","","","","","","","","","","","","","","","","N-Phenylsydnone","","C1=CC=C(C=C1)[N+]2=CC(=O)ON2","KQEVEDHJIGSXDK-UHFFFAOYSA-O","123024",NA,"PDBC21170","13797","Present"
-"3-Phenylthieno[2,3-b]pyrrolizin-8-one","","","","","","","","","","","","","","","","","","","","3-Phenylthieno[2,3-b]pyrrolizin-8-one","","C1=CC=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O","YYQSSUSYLXBUIE-UHFFFAOYSA-N","388523",NA,"PDBC21171","683507","Present"
-"3-Phenyltriazolo[4,5-d]pyrimidine-5,7-dithiol","","","","","","","","","","","","","","","","","","","","3-Phenyltriazolo[4,5-d]pyrimidine-5,7-dithiol","","C1=CC=C(C=C1)N2C3=C(C(=S)NC(=S)N3)N=N2","OFHZWSGOQOHGKQ-UHFFFAOYSA-N","135409014",NA,"PDBC21172","653245","Present"
-"3-Phthalimidylpropylphenyl sulfide","","","","","","","","","","","","","","","","","","","","3-Phthalimidylpropylphenyl sulfide","","C1=CC=C(C=C1)SCCCN2C(=O)C3=CC=CC=C3C2=O","BYUIXCDIRNBWLK-UHFFFAOYSA-N","265185",NA,"PDBC21173","101023","Present"
-"3-Piperidin-1-ium-1-ylidene-5-piperidin-1-yl-1,2,4-dithiazole;bromide","","","","","","","","","","","","","","","","","","","","1-[5-(Piperidin-1-yl)-3H-1,2,4-dithiazol-3-ylidene]piperidinium bromide","","C1CCN(CC1)C2=NC(=[N+]3CCCCC3)SS2.[Br-]","XNROIBGNMXOMPW-UHFFFAOYSA-M","360534",NA,"PDBC21174","622669","Present"
-"3-Piperidino-2-phenylpropiophenone","","","","","","","","","","","","","","","","","","","","3-Piperidino-2-phenylpropiophenone","","C1CCN(CC1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3","KJPKPBMWHKBKHG-UHFFFAOYSA-N","89341",NA,"PDBC21175","33568","Present"
-"3-Propan-2-yl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","3-Propan-2-yl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine","","CC(C)C1=NC2=CC=CC=C2N=C1NC3=CC(=C(C(=C3)OC)OC)OC","JQZBRZMDXAIYFT-UHFFFAOYSA-N","401462",NA,"PDBC21176","715120","Present"
-"3-Propoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-(Propoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","CCCOC(=O)C1C2CCC(C1C(=O)O)O2","NTZUGGMOGMTBFK-UHFFFAOYSA-N","246837",NA,"PDBC21177","60379","Present"
-"3-Propyl-5-(5-(4-propyl-1H-pyrrol-2-yl)-2-thienyl)-1H-pyrrole-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","3-Propyl-5-(5-(4-propyl-1H-pyrrol-2-yl)-2-thienyl)-1H-pyrrole-2-carbaldehyde","","CCCC1=CNC(=C1)C2=CC=C(S2)C3=CC(=C(N3)C=O)CCC","RYUBHIJMLGAEOC-UHFFFAOYSA-N","374811",NA,"PDBC21178","653148","Present"
-"3-Propyl-6-[(4E,7E,10E,12E,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one","","","","","","","","","","","","","","","","","","","","3-Propyl-6-[(4E,7E,10E,12E,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one","","CCCC1=CC=C(OC1=O)C(C)C(C(=CCC=C(C)CC(=CC(=CCC(C(C)C(C(=CC)C)O)O)C)C)C)O","OTNYCNDIGKWKTO-RCXJYNBZSA-N","5468405",NA,"PDBC21179","669697","Present"
-"3-Pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-(2-Pyridyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=CC=N3","PXUFQPJYQRCMEG-UHFFFAOYSA-N","396393",NA,"PDBC21180","702346","Present"
-"3-Pyridin-3-ylquinoline-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","3-(Pyridin-3-yl)quinoline-4-carbohydrazide","","C1=CC=C2C(=C1)C(=C(C=N2)C3=CN=CC=C3)C(=O)NN","QSZGYZIPEFXMQA-UHFFFAOYSA-N","377698",NA,"PDBC21181","659289","Present"
-"3-Pyridineacetic acid","","","","","","","","","","","","","","","","","","","","toneon","","C1=CC(=CN=C1)CC(=O)O","WGNUNYPERJMVRM-UHFFFAOYSA-N","108",NA,"PDBC21182","70769","Present"
-"3-Pyridinecarbaldehyde 2-pyridyl hydrazone","","","","","","","","","","","","","","","","","","","","NSC18368","","C1=CC=NC(=C1)NN=CC2=CN=CC=C2","ZMTRKIYGCKYPTF-ZROIWOOFSA-N","5458408",NA,"PDBC21183","18368","Present"
-"3-Pyridinecarbonitrile, 1,2-dihydro-1-pentopyranosyl-4,6-diphenyl-2-thioxo-","","","","","","","","","","","","","","","","","","","","4,6-Diphenyl-2-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3-carbonitrile","","C1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=CC=C3)C4=CC=CC=C4)O)O)O","SVLDXWDIWOKSIW-UHFFFAOYSA-N","383448",NA,"PDBC21184","671816","Present"
-"3-Pyridinecarbonitrile, 1-hexopyranosyl-1,2-dihydro-4,6-dimethyl-5-[(E)-(4-methylphenyl)azo]-2-thioxo-","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-5-[(4-methylphenyl)diazenyl]-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=CC=C(C=C1)N=NC2=C(N(C(=S)C(=C2C)C#N)C3C(C(C(C(O3)CO)O)O)O)C","JYJLAZOWRAUFBK-UHFFFAOYSA-N","381295",NA,"PDBC21185","667732","Present"
-"3-Pyridinecarbonitrile, 1-hexopyranosyl-1,2-dihydro-4,6-dimethyl-5-[(E)-phenylazo]-2-thioxo-","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C)C3C(C(C(C(O3)CO)O)O)O)C#N","UPWGPMLIPLXQSD-UHFFFAOYSA-N","381294",NA,"PDBC21186","667731","Present"
-"3-Pyridinecarbonitrile, 1-hexopyranosyl-1,2-dihydro-4,6-diphenyl-2-thioxo-","","","","","","","","","","","","","","","","","","","","NSC671814///NSC671815","","C1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CC=C4","JOCROWQIHNGUKC-UHFFFAOYSA-N","383447",NA,"PDBC21187","671814///671815","Present"
-"3-Pyridinecarbonitrile, 2-ethoxy-4-[4-(4-morpholinyl)phenyl]-6-phenyl-","","","","","","","","","","","","","","","","","","","","3-Pyridinecarbonitrile, 2-ethoxy-4-[4-(4-morpholinyl)phenyl]-6-phenyl-","","CCOC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)N4CCOCC4)C#N","YLWSMTNZPPKTIW-UHFFFAOYSA-N","385444",NA,"PDBC21188","676679","Present"
-"3-Pyridinecarbonitrile, 4-(2-furanyl)-1-hexopyranosyl-1,2-dihydro-6-(4-methylphenyl)-2-thioxo-","","","","","","","","","","","","","","","","","","","","NSC671817///NSC671818","","CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CO4","YYPNGFTVCGQJQI-UHFFFAOYSA-N","383449",NA,"PDBC21189","671817///671818","Present"
-"3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-1-hexopyranosyl-1,2-dihydro-6-methyl-2-thioxo-","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-6-methyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=CC(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=C(C=C3)Cl","QPMPADMFJMVFQR-UHFFFAOYSA-N","381194",NA,"PDBC21190","667525","Present"
-"3-Pyridinecarbonitrile, 5-acetyl-1-hexopyranosyl-1,2-dihydro-4-(1-naphthalenyl)-6-phenyl-2-thioxo-","","","","","","","","","","","","","","","","","","","","NSC667547///NSC667554","","CC(=O)C1=C(N(C(=S)C(=C1C2=CC=CC3=CC=CC=C32)C#N)C4C(C(C(C(O4)CO)O)O)O)C5=CC=CC=C5","IOXMZMWJCFYGHZ-UHFFFAOYSA-N","381213",NA,"PDBC21191","667547///667554","Present"
-"3-Pyridinecarbonitrile, 5-acetyl-1-hexopyranosyl-1,2-dihydro-4-(4-methoxyphenyl)-6-methyl-2-thioxo-","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=C(C=C3)OC)C(=O)C","GUBLPSNAEUWRCM-UHFFFAOYSA-N","381222",NA,"PDBC21192","667559","Present"
-"3-Pyridinecarbonitrile, 5-acetyl-4-(2-furanyl)-1-hexopyranosyl-1,2-dihydro-6-methyl-2-thioxo-","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-(furan-2-yl)-6-methyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=CO3)C(=O)C","NMHXNOKAKZGUQM-UHFFFAOYSA-N","381216",NA,"PDBC21193","667551","Present"
-"3-Pyridinecarbonitrile, 5-acetyl-4-(4-chlorophenyl)-1-hexopyranosyl-1,2-dihydro-6-methyl-2-thioxo-","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=C(C=C3)Cl)C(=O)C","YCRUDLAZLLCJBC-UHFFFAOYSA-N","381214",NA,"PDBC21194","667548","Present"
-"3-Pyridinecarbonitrile, 5-ethyl-1-hexopyranosyl-1,2-dihydro-4,6-dimethyl-2-thioxo-","","","","","","","","","","","","","","","","","","","","5-ethyl-4,6-dimethyl-2-thioxo-1-(3,4,5-trihydroxy-6-(hyd...","","CCC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)CO)O)O)O)C","LWMRDYATFIGRPF-UHFFFAOYSA-N","381209",NA,"PDBC21195","667543","Present"
-"3-Pyridinecarbonitrile,1,2-dihydro-4-(methoxymethyl)-2-oxo-6-propyl-","","","","","","","","","","","","","","","","","","","","4-(Methoxymethyl)-2-oxo-6-propyl-1H-pyridine-3-carbonitrile","","CCCC1=CC(=C(C(=O)N1)C#N)COC","LDWHLYYIBAQNPG-UHFFFAOYSA-N","229815",NA,"PDBC21196","23807","Present"
-"3-Pyridinecarboxamide, N-[3-(phenylsulfonyl)-2-thienyl]-","","","","","","","","","","","","","","","","","","","","3-Pyridinecarboxamide, N-[3-(phenylsulfonyl)-2-thienyl]-","","C1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C3=CN=CC=C3","DDRYQSIZMLQTKY-UHFFFAOYSA-N","393673",NA,"PDBC21197","696049","Present"
-"3-Pyridinecarboxamide, sodium salt","","","","","","","","","","","","","","","","","","","","3-Pyridinecarboxamide, 6-(hydroxyazo)-, sodium salt","","C1=CC(=NC=C1C(=O)N)NN=O.[Na+]","MZEBKTIGHIILQX-UHFFFAOYSA-N","20835846",NA,"PDBC21198","600292","Present"
-"3-Pyridinecarboxylic acid, 4-[2-cyano-2-(ethoxycarbonyl)-1-(2-phenyhydrazino)ethenyl]-","","","","","","","","","","","","","","","","","","","","3-Pyridinecarboxylic acid, 4-[2-cyano-2-(ethoxycarbonyl)...","","CCOC(=O)C(=C(C1=C(C=NC=C1)C(=O)O)NNC2=CC=CC=C2)C#N","KCHUIWDHSQEOFG-JQIJEIRASA-N","5469314",NA,"PDBC21199","685685","Present"
-"3-Pyridinol, 2-(piperidinomethyl)-","","","","","","","","","","","","","","","","","","","","2-(Piperidinomethyl)-3-pyridinol","","C1CCN(CC1)CC2=C(C=CC=N2)O","BMRGAJCUJCTATP-UHFFFAOYSA-N","96480",NA,"PDBC21200","75877","Present"
-"3-Pyridinylphosphinic acid","","","","","","","","","","","","","","","","","","","","3-Pyridinylphosphinic acid","","C1=CC(=CN=C1)[P+](=O)O","NYAZPRKARRLPOP-UHFFFAOYSA-O","6328769",NA,"PDBC21201","632920","Present"
-"3-Pyroglutamylthiazolidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","Pidotimod","","C1CC(=O)NC1C(=O)N2CSCC2C(=O)O","UUTKICFRNVKFRG-UHFFFAOYSA-N","114751",NA,"PDBC21202","678119","Present"
-"3-Pyrrolin-2-one, 4-hydroxy-5-(p-hydroxybenzyl)-3-(N-phenylacetimidoyl)-","","","","","","","","","","","","","","","","","","","","3-Pyrrolin-2-one, 4-hydroxy-5-(p-hydroxybenzyl)-3-(N-phe...","","CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC=C(C=C3)O)O","CDSZPMMTWNONAM-UHFFFAOYSA-N","135500557",NA,"PDBC21203","100434","Present"
-"3-Pyrrolizino-5-(p-anisyl)-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","3-Pyrrolizino-5-(p-anisyl)-1,2,4-oxadiazole","","COC1=CC=C(C=C1)C2=NC(=NO2)N3CCCC3","BSVZHUXWBDKTRR-UHFFFAOYSA-N","389744",NA,"PDBC21204","686340","Present"
-"3-Quinolinamine, N-(2-quinolinylmethylene)-","","","","","","","","","","","","","","","","","","","","1-(2-quinolyl)-N-(3-quinolyl)methanimine","","C1=CC=C2C(=C1)C=CC(=N2)C=NC3=CC4=CC=CC=C4N=C3","FOOVLXYORBIGKA-UHFFFAOYSA-N","265479",NA,"PDBC21205","101548","Present"
-"3-Quinolinecarbonitrile, 1-hexopyranosyl-1,2,5,6,7,8-hexahydro-4-(4-methoxyphenyl)-2-thioxo-","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile","","COC1=CC=C(C=C1)C2=C(C(=S)N(C3=C2CCCC3)C4C(C(C(C(O4)CO)O)O)O)C#N","UNYDCIUYILQIRL-UHFFFAOYSA-N","381200",NA,"PDBC21206","667531","Present"
-"3-Quinolinecarboxylic acid, 7-[4-[1-(ethoxycarbonyl)-1-[(ethoxycarbonyl)amino]-2,2,2-trifluoroethyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-","","","","","","","","","","","","","","","","","","","","7-[4-[3-Ethoxy-2-(ethoxycarbonylamino)-1,1,1-trifluoro-3-oxopropan-2-yl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid","","CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C(=O)OCC)(C(F)(F)F)NC(=O)OCC)F)C(=O)O","WXDALWZZLSGIPW-UHFFFAOYSA-N","384776",NA,"PDBC21207","675212","Present"
-"3-Quinuclidinemalononitrile","","","","","","","","","","","","","","","","","","","","LS-143114","","C1CN2CCC1C(C2)C(C#N)C#N","BUKCFODSLIUASM-UHFFFAOYSA-N","379661",NA,"PDBC21208","664540","Present"
-"3-Quinuclidyl cyclopentyl(3-methyl-1-cis-butenyl)glycolate","","","","","","","","","","","","","","","","","","","","NSC665758","","CC(C)C=CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O","PZSSHNWVJGSMGY-YFHOEESVSA-N","5468176",NA,"PDBC21209","665758","Present"
-"3-Quinuclidyl diphenylcarbamate","","","","","","","","","","","","","","","","","","","","LS-49673","","C1CN2CCC1C(C2)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4","IJIHPPHWXPHTRG-UHFFFAOYSA-N","28676",NA,"PDBC21210","665783","Present"
-"3-Quinuclidyl p-toluenesulfonate hydrochloride","","","","","","","","","","","","","","","","","","","","wln: t66 a b cntj aoswr d1 &gh","","CC1=CC=C(C=C1)S(=O)(=O)OC2CN3CCC2CC3.Cl","DUXKLZUKUZWKTF-UHFFFAOYSA-N","3056889",NA,"PDBC21211","100762","Present"
-"3-Tert-Butoxycarbonylamino-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate","","CC(C)(C)OC(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C","HZXWVCLHZLFBCA-UHFFFAOYSA-N","382320",NA,"PDBC21212","669778","Present"
-"3-Tert-Butyl 4-methyl 2-methyl-1,3-oxazinane-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","3-Tert-Butyl 4-methyl 2-methyl-1,3-oxazinane-3,4-dicarboxylate","","CC1N(C(CCO1)C(=O)OC)C(=O)OC(C)(C)C","RHVKEFQZQAYOHD-UHFFFAOYSA-N","381854",NA,"PDBC21213","669021","Present"
-"3-Tert-Butyl-1-hydroxy-7-isoquinolinecarboxamide","","","","","","","","","","","","","","","","","","","","3-Tert-Butyl-1-hydroxy-7-isoquinolinecarboxamide","","CC(C)(C)C1=CC2=C(C=C(C=C2)C(=O)N)C(=O)N1","LDAKUQQADVRFCZ-UHFFFAOYSA-N","365997",NA,"PDBC21214","634164","Present"
-"3-Tert-Butyl-2-ethyl-5,5-dimethyl-1,3,2-oxazaphospholidine 2-oxide","","","","","","","","","","","","","","","","","","","","3-Tert-Butyl-2-ethyl-5,5-dimethyl-1,3,2-oxazaphospholidine 2-oxide","","CCP1(=O)N(CC(O1)(C)C)C(C)(C)C","GVVQGNPJJPDIEH-UHFFFAOYSA-N","395348",NA,"PDBC21215","699830","Present"
-"3-Tert-Butyl-3-(2-hydroxyethyl)-1-methyl-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-Tert-Butyl-3-(2-hydroxyethyl)-1-methyl-1,3-dihydro-2H-indol-2-one","","CC(C)(C)C1(C2=CC=CC=C2N(C1=O)C)CCO","IBMGYCUDJIBLPX-UHFFFAOYSA-N","393195",NA,"PDBC21216","694683","Present"
-"3-Tert-Butyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","","","","","","","","","","","","","","","","","","","3-Tert-Butyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","CC(C)(C)N1C(=O)N2C(=C(N2C1=O)C3=CC=CC=C3)C4=CC=CC=C4","VKDMQCYSUSEUBN-UHFFFAOYSA-N","391908",NA,"PDBC21217","691589","Present"
-"3-Tert-Butyl-6-((4-(methylthio)anilino)carbonyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-benzo[c]carbazole-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-Tert-butyl-6-[(4-methylsulfanylphenyl)carbamoyl]-2,3,4,4a,5,6,7,11c-octahydro-1H-benzo[c]carbazole-5-carboxylic acid","","CC(C)(C)C1CCC2C(C1)C(C(C3=C2C4=CC=CC=C4N3)C(=O)NC5=CC=C(C=C5)SC)C(=O)O","RIKOBXKMTCKFDP-UHFFFAOYSA-N","374514",NA,"PDBC21218","652265","Present"
-"3-Tert-butyl-2-methylbenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-Tert-butyl-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=NC2=C(N1C(C)(C)C)C(=O)C3=CC=CC=C3C2=O","DXTMRWJYHMXGEX-UHFFFAOYSA-N","374254",NA,"PDBC21219","651755","Present"
-"3-Tert-butylindeno[1,2-c]pyrazol-4(3ah)-one","","","","","","","","","","","","","","","","","","","","REGID_for_CID_223899","","CC(C)(C)C1=NN=C2C1C(=O)C3=CC=CC=C32","RAFCLOURPITYQX-UHFFFAOYSA-N","223899",NA,"PDBC21220","11991","Present"
-"3-Tetradecenoyl-S-coenzyme A","","","","","","","","","","","","","","","","","","","","3-Tetradecenoyl-S-coenzyme A","","CCCCCCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O","SSOCUKXLUZQJHU-FKAAEKQCSA-N","5386964",NA,"PDBC21221","618938","Present"
-"3-Tetradecyl-3H-isobenzofuran-1-one","","","","","","","","","","","","","","","","","","","","3-Tetradecyl-3H-isobenzofuran-1-one","","CCCCCCCCCCCCCCC1C2=CC=CC=C2C(=O)O1","GYPWGKRSJWXUSK-UHFFFAOYSA-N","362906",NA,"PDBC21222","627381","Present"
-"3-Thianaphthenoyltrifluoroacetone","","","","","","","","","","","","","","","","","","","","1,3-Butanedione, 1-benzo[b]thien-3-yl-4,4,4-trifluoro-","","C1=CC=C2C(=C1)C(=CS2)C(=O)CC(=O)C(F)(F)F","NFWFGKBSGANQQK-UHFFFAOYSA-N","96570",NA,"PDBC21223","80396","Present"
-"3-Thienylphosphinic acid","","","","","","","","","","","","","","","","","","","","3-Thienylphosphinic acid","","C1=CSC=C1[P+](=O)O","WKXULUMCMGAEOK-UHFFFAOYSA-O","6328771",NA,"PDBC21224","632922","Present"
-"3-Thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-Thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid","","C1=CSC(=C1)CC(C(=O)O)NC(=O)C(F)(F)F","FYMPAKRCUUFCCE-UHFFFAOYSA-N","328215",NA,"PDBC21225","306124","Present"
-"3-Thiophen-2-yl-4,5-dihydro-2H-benzo[g]indazole","","","","","","","","","","","","","","","","","","","","3-Thiophen-2-yl-4,5-dihydro-2H-benzo[g]indazole","","C1CC2=C(NN=C2C3=CC=CC=C31)C4=CC=CS4","WNMWTQISTURZQG-UHFFFAOYSA-N","340251",NA,"PDBC21226","370463","Present"
-"3-Thioureidomethylene-4-oxo-coumarin","","","","","","","","","","","","","","","","","","","","3-Thioureidomethylene-4-oxo-coumarin","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC(=S)N)O","PMVYLWXDLFXGRP-WLRTZDKTSA-N","135409042",NA,"PDBC21227","655967","Present"
-"3-Thioxo-1,2-dihydro-[1,2,4]triazolo[3,4-b]quinazolin-5-one","","","","","","","","","","","","","","","","","","","","3-Thioxo-1,2-dihydro-[1,2,4]triazolo[3,4-b]quinazolin-5-one","","C1=CC=C2C(=C1)C(=O)N3C(=N2)NNC3=S","INHHOOZWMOSMGF-UHFFFAOYSA-N","3005326",NA,"PDBC21228","691080","Present"
-"3-Thioxospiro[1,2,4-triazinane-6,9'-fluorene]-5-one","","","","","","","","","","","","","","","","","","","","3-Sulfanylidenespiro[1,2,4-triazinane-6,9'-fluorene]-5-one","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=S)NN4","LUCFCNTWCKWTEW-UHFFFAOYSA-N","3001579",NA,"PDBC21229","658715","Present"
-"3-Veratroylveracevine","","","","","","","","","","","","","","","","","","","","veratrine","","CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O","FVECELJHCSPHKY-WTFKENEKSA-N","11614496",NA,"PDBC21230","7524","Present"
-"3-[(1-Adamantylamino)methyl]-1-ethoxycarbonyl-4-piperidone hydrochloride (1:1)","","","","","","","","","","","","","","","","","","","","3-[(1-Adamantylamino)methyl]-1-ethoxycarbonyl- 4-piperid...","","CCOC(=O)N1CCC(=O)C(C1)CNC23CC4CC(C2)CC(C4)C3.Cl","NBBNSLJCKZDCCQ-UHFFFAOYSA-N","365301",NA,"PDBC21231","632852","Present"
-"3-[(1-Adamantylamino)methyl]-4-hydroxy-1-methylpiperidine dihydrochloride hydrate [5:10:2]","","","","","","","","","","","","","","","","","","","","3-[(1-Adamantylamino)methyl]-4-hydroxy-1-methylpiperidin...","","CN1CCC(C(C1)CNC23CC4CC(C2)CC(C4)C3)O.Cl","XQQXGQQJTBFLFY-UHFFFAOYSA-N","365303",NA,"PDBC21232","632853","Present"
-"3-[(1-Benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino]-N-[(furan-2-yl)methyl]benzamide","","","","","","","","","","","","","","","","","","","","2-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NCC4=CC=CO4","DIAHQDVVAKSKLZ-UHFFFAOYSA-N","16252025",NA,"PDBC21233","732848","Present"
-"3-[(1-Methoxyphen-4-ylmethyl)amino]-2-phenyl-2H-pyrido[4,2,4-thiadiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","3-[(1-Methoxyphen-4-ylmethyl)amino]-2-phenyl-2H-pyrido[4...","","COC1=CC=C(C=C1)CN=C2NC3=C(C=NC=C3)S(=O)(=O)N2C4=CC=CC=C4","ZHJJILKMQWVXSV-UHFFFAOYSA-N","135426716",NA,"PDBC21234","710898","Present"
-"3-[(1-Methylpiperazine)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","3-[(1-Methylpiperazine)-1-propyl]-5,6-dihydro-2,3-dimeth...","","CN1CCN(CC1)CCCN2C3=C(C4=CC(=C(C=C4C2=O)OC)OC)C(=O)C5=CC6=C(C=C53)OCO6","NRKUWWSKJLFGMB-UHFFFAOYSA-N","16090538",NA,"PDBC21235","725777","Present"
-"3-[(1H-Indol-3-ylethyl)amino]-2-(3-isopropoxyphenyl)-2H-pyrido[4,2,4,-thiadiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","3-[(1H-Indol-3-ylethyl)amino]-2-(3-isopropoxyphenyl)-2H-...","","CC(C)OC1=CC=CC(=C1)N2C(=NCCC3=CNC4=CC=CC=C43)NC5=C(S2(=O)=O)C=NC=C5","KCSXOVGRDAPTKF-UHFFFAOYSA-N","135426715",NA,"PDBC21236","710895","Present"
-"3-[(1H-Indol-3-ylmethyl)amino]-2-(3-isopropoxyphenyl)-2H-pyrido[4,2,4-thiadiazine 1,1 dioxide","","","","","","","","","","","","","","","","","","","","3-[(1H-Indol-3-ylmethyl)amino]-2-(3-isopropoxyphenyl)-2H...","","CC(C)OC1=CC=CC(=C1)N2C(=NCC3=CNC4=CC=CC=C43)NC5=C(S2(=O)=O)C=NC=C5","SMEHYXQQYDQDNA-UHFFFAOYSA-N","135423956",NA,"PDBC21237","710894","Present"
-"3-[(1R)-1-Methoxycarbonyl-2-oxocyclohexyl]butanoic acid","","","","","","","","","","","","","","","","","","","","NSC646224","","CC(CC(=O)O)C1(CCCCC1=O)C(=O)OC","VKMZPOWJLJXZIQ-LESKNEHBSA-N","371780",NA,"PDBC21238","646224","Present"
-"3-[(2,3-Dimethoxyphenyl)methyl]-7,8-dimethoxy-5-methylsulfanyl-2,5-dihydro-1H-3-benzazepin-4-one","","","","","","","","","","","","","","","","","","","","1H-3-Benzazepin-2-one, 2,3,4,5-tetrahydro-7,8-dimethoxy-...","","COC1=CC=CC(=C1OC)CN2CCC3=CC(=C(C=C3C(C2=O)SC)OC)OC","CVALYQRNZBJMFA-UHFFFAOYSA-N","359177",NA,"PDBC21239","619859","Present"
-"3-[(2,4-Dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-[(2,4-Dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione","","COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=NNC3=S)COC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]","ZALPMVZTIHWIJY-YSURURNPSA-N","9572709",NA,"PDBC21240","724647","Present"
-"3-[(2,4-Dichlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-[(2,4-Dichlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)COC5=C(C=C(C=C5)Cl)Cl)F","WAZFXOZTSDPDPA-UHFFFAOYSA-N","11237125",NA,"PDBC21241","726273","Present"
-"3-[(2,4-Dichlorophenoxy)methyl]-6-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-[(2,4-Dichlorophenoxy)methyl]-6-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC(=C(C=C1Cl)Cl)C2=CC=C(O2)C3=NN4C(=NN=C4S3)COC5=C(C=C(C=C5)Cl)Cl","KMKGLXLDYAZXLJ-UHFFFAOYSA-N","402006",NA,"PDBC21242","715695","Present"
-"3-[(2,4-Dimethoxy-5-pyrimidinyl)methylene]isobenzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","3-[(2,4-Dimethoxy-5-pyrimidinyl)methylene]isobenzofuran-1(3H)-one","","COC1=NC(=NC=C1C=C2C3=CC=CC=C3C(=O)O2)OC","CMNMPKRDOUHXQU-GHXNOFRVSA-N","5468846",NA,"PDBC21243","677621","Present"
-"3-[(2,4-Dinitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","3-[(2,4-Dinitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol","","C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","LEVXBDLHIVOIAE-UHFFFAOYSA-N","3089375",NA,"PDBC21244","649166","Present"
-"3-[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin)-1-yl]-4-aminothiophene-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-amino-3-(2,4-dioxopyrimidin-1-yl)thiophene-2-carboxylate","","COC(=O)C1=C(C(=CS1)N)N2C=CC(=O)NC2=O","ORLMCBUZCFZPFB-UHFFFAOYSA-N","398480",NA,"PDBC21245","708384","Present"
-"3-[(2-Amino-4,5-dimethyl-3-furyl)sulfonyl]quinolin-2-amine 1-oxide","","","","","","","","","","","","","","","","","","","","3-[(2-Amino-4,5-dimethyl-3-furyl)sulfonyl]quinolin-2-amine 1-oxide","","CC1=C(OC(=C1S(=O)(=O)C2=CC3=CC=CC=C3N(C2=N)O)N)C","HBJFCQIOKAHSEC-UHFFFAOYSA-N","496556",NA,"PDBC21246","693806","Present"
-"3-[(2-Amino-6-chloropyrimidin-4-yl)amino]propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-[(2-Amino-6-chloropyrimidin-4-yl)amino]propane-1,2-diol","","C1=C(N=C(N=C1Cl)N)NCC(CO)O","XMBOEUCNEMCXFA-UHFFFAOYSA-N","358990",NA,"PDBC21247","619197","Present"
-"3-[(2-Bromoacetyl)amino]-N-carbamoylbenzamide","","","","","","","","","","","","","","","","","","","","3-Bromoacetamido-benzoylurea","","C1=CC(=CC(=C1)NC(=O)CBr)C(=O)NC(=O)N","ROTXPDBINYTRPW-UHFFFAOYSA-N","398525",NA,"PDBC21248","708440","Present"
-"3-[(2-Chloro-5-methoxy-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one","","","","","","","","","","","","","","","","","","","","3-[(2-Chloro-5-methoxy-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one","","COC1=CC2=C(C=C1)NC(=C2C=C3C4=CC=CC=C4NC3=O)Cl","IZVZNKBMIOPVGE-NTEUORMPSA-N","10448955",NA,"PDBC21249","726894","Present"
-"3-[(2-Chloro-7-methylpurin-6-yl)amino]-2,3-dimethylbutan-2-ol","","","","","","","","","","","","","","","","","","","","3-[(2-Chloro-7-methylpurin-6-yl)amino]-2,3-dimethylbutan-2-ol","","CC(C)(C(C)(C)O)NC1=NC(=NC2=C1N(C=N2)C)Cl","SWGPTHDBJMFMLI-UHFFFAOYSA-N","358314",NA,"PDBC21250","618275","Present"
-"3-[(2-Chloro-phenylamino)-methyl]-5-(2-hydroxy-phenyl)-3H-[1,4]oxadi azole-2-thione","","","","","","","","","","","","","","","","","","","","3-[(2-Chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-...","","C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=CC=C3Cl)O","IYXZOBVMRICUEY-UHFFFAOYSA-N","135585517",NA,"PDBC21251","731988","Present"
-"3-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione","","COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=NNC3=S)COC4=CC=CC=C4Cl)[N+](=O)[O-]","RZFKUUJLNXTPAM-FOKLQQMPSA-N","9572708",NA,"PDBC21252","724646","Present"
-"3-[(2-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-[(2-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)COC5=CC=CC=C5Cl)F","HEEILTJYIAKYCJ-UHFFFAOYSA-N","11396827",NA,"PDBC21253","726269","Present"
-"3-[(2-Chlorophenyl)carbamoylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[(2-Chlorophenyl)carbamoylsulfanyl]propanoic acid","","C1=CC=C(C(=C1)NC(=O)SCCC(=O)O)Cl","LGLVHUBEDAVRSX-UHFFFAOYSA-N","359050",NA,"PDBC21254","619427","Present"
-"3-[(2-Chlorophenyl)methoxy]-5-nitro-1H-indazole","","","","","","","","","","","","","","","","","","","","3-[(2-Chlorophenyl)methoxy]-5-nitro-1H-indazole","","C1=CC=C(C(=C1)COC2=NNC3=C2C=C(C=C3)[N+](=O)[O-])Cl","XCLCSCQDRUGXPR-UHFFFAOYSA-N","438826",NA,"PDBC21255","675829","Present"
-"3-[(2-Chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine","","","","","","","","","","","","","","","","","","","","3-[(2-Chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine","","C1C2=C(C3=C(C=CC=N3)C=C2)OCN1CC4=CC=CC=C4Cl","YSDAVBBZXPACDW-UHFFFAOYSA-N","326321",NA,"PDBC21256","297361","Present"
-"3-[(2-Fluorophenyl)carbamoylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[N-(2-Fluorophenylthiocarbamoyl)]-propanoic acid","","C1=CC=C(C(=C1)NC(=O)SCCC(=O)O)F","BTHRFHDDQPRMPO-UHFFFAOYSA-N","363899",NA,"PDBC21257","629287","Present"
-"3-[(2-Hydroxy-1-naphthalenyl)azo]-1,5-naphthalenedisulfonic acid","","","","","","","","","","","","","","","","","","","","3-[(2-Hydroxy-1-naphthalenyl)azo]-1,5-naphthalenedisulfonic acid","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O)O","FNSFKCGGKCRLFJ-UHFFFAOYSA-N","106330",NA,"PDBC21258","45581","Present"
-"3-[(2-Hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one","","","","","","","","","","","","","","","","","","","","3-[(2-Hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one","","CC1=NN=C(NC1=O)N=NC2=C(NC3=CC=CC=C32)O","MUCRZFLTXZPHRS-UHFFFAOYSA-N","135455472",NA,"PDBC21259","607581","Present"
-"3-[(2-Hydroxyethyl)thio]-1-propanol","","","","","","","","","","","","","","","","","","","","3-[(2-HYDROXYETHYL)THIO]-1-PROPANOL","","C(CO)CSCCO","YJGRQEWXDDCCCV-UHFFFAOYSA-N","220278",NA,"PDBC21260","2787","Present"
-"3-[(2-Hydroxynaphthalen-1-yl)methyl]-7-[3-[(2-hydroxynaphthalen-1-yl)methyl]-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","","","","","","","","","","","","","","","","","","","3-[(2-Hydroxynaphthalen-1-yl)methyl]-7-[3-[(2-hydroxynaphthalen-1-yl)methyl]-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","C1=CC=C2C(=C1)C=CC(=C2CC3=NN=C4N(C3=O)N=C(S4)C5=NN6C(=O)C(=NN=C6S5)CC7=C(C=CC8=CC=CC=C87)O)O","SYRROAOYPFPSNC-UHFFFAOYSA-N","399655",NA,"PDBC21261","710573","Present"
-"3-[(2-Methyl-1,4-dioxo-1,4-dihydronaphthalene-3-yl)thio]propanoic acid 2-[[3-(phenyltelluro)propyl]amino]-2-oxoethyl ester","","","","","","","","","","","","","","","","","","","","2-Oxo-2-(3-phenyltellanyl)propylamino)ethyl 3-(3-methyl-...","","CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)OCC(=O)NCCC[Te]C3=CC=CC=C3","SUQXITVMRWOPMJ-UHFFFAOYSA-N","44226543",NA,"PDBC21262","750912","Present"
-"3-[(2-Naphthylsulfonyl)amino]propanoic acid","","","","","","","","","","","","","","","","","","","","TimTec1_004847","","C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)O","ZARBMGXIZPSUAL-UHFFFAOYSA-N","362740",NA,"PDBC21263","626995","Present"
-"3-[(2-Nitrophenyl)diazenyl]-1-benzothiophen-2-ol","","","","","","","","","","","","","","","","","","","","3-[(2-Nitrophenyl)diazenyl]-1-benzothiophen-2-ol","","C1=CC=C2C(=C1)C(=C(S2)O)N=NC3=CC=CC=C3[N+](=O)[O-]","UZHMOWFAEQLCLL-UHFFFAOYSA-N","343248",NA,"PDBC21264","382584","Present"
-"3-[(2-Oxo-1,2-diphenylethyl)amino]benzoic acid","","","","","","","","","","","","","","","","","","","","3-[(2-Oxo-1,2-diphenylethyl)amino]benzoic acid","","C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O","GHTGNYOWLDGOGS-UHFFFAOYSA-N","220828",NA,"PDBC21265","4232","Present"
-"3-[(2E)-2-(2-Hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one","","","","","","","","","","","","","","","","","","","","(E)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-1,2,4-triazin...","","C1=CC=C(C(=C1)C=NNC2=NN=CC(=O)N2)O","JLNGJBLIIKJAGO-VZUCSPMQSA-N","135409374",NA,"PDBC21266","765608","Present"
-"3-[(2E)-2-(2-Hydroxyphenyl)-2-(phenylhydrazinylidene)ethyl]-3H-1-benzofuran-2-one","","","","","","","","","","","","","","","","","","","","3-[(2E)-2-(2-Hydroxyphenyl)-2-(phenylhydrazinylidene)ethyl]-3H-1-benzofuran-2-one","","C1=CC=C(C=C1)NN=C(CC2C3=CC=CC=C3OC2=O)C4=CC=CC=C4O","WUJJORNPCJIZED-LYBHJNIJSA-N","135488946",NA,"PDBC21267","647613","Present"
-"3-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]benzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","3-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]benzo[c]chromen-6-one","","C1=CC=C2C(=C1)C3=C(C=C(C=C3)OCC(=NO)C4=CC=C(C=C4)F)OC2=O","PDDIRAQBLBEOFN-NMWGTECJSA-N","24204880",NA,"PDBC21268","733310","Present"
-"3-[(2E)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","3-[(2E)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one","","CON=C(COC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3)C4=CC=C(C=C4)F","TYEWAGBBULCXAV-QOMWVZHYSA-N","24205362",NA,"PDBC21269","735313","Present"
-"3-[(2E)-2-(Dimethylhydrazono)ethyl]-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol","","","","","","","","","","","","","","","","","","","","3-[(2E)-2-(Dimethylhydrazono)ethyl]-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol","","CCCCCC(CC=NN(C)C)C(C(F)(F)F)(C(F)(F)F)O","DUQTZXKXIYNAQS-AWQFTUOYSA-N","9571445",NA,"PDBC21270","664336","Present"
-"3-[(2E)-2-Hydroxyimino-2-(3-methoxyphenyl)ethoxy]benzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","3-[(2E)-2-Hydroxyimino-2-(3-methoxyphenyl)ethoxy]benzo[c]chromen-6-one","","COC1=CC=CC(=C1)C(=NO)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3","OESDQQWMHUYJOB-ATJXCDBQSA-N","24204878",NA,"PDBC21271","733308","Present"
-"3-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","3-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","COC1=CC=C(C=C1)C(=NO)COC2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4","LCPAZPQJGMQMSF-QQTULTPQSA-N","24203678",NA,"PDBC21272","729143","Present"
-"3-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","3-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one","","C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=NO)C4=CC=CC=C4","KPEWBHRDJZLSNX-CLCOLTQESA-N","24203676",NA,"PDBC21273","729141","Present"
-"3-[(2E)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","3-[(2E)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","COC1=CC=C(C=C1)C(=NOC)COC2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4","FKLDEUPQDDYBPY-QLYXXIJNSA-N","24205361",NA,"PDBC21274","735312","Present"
-"3-[(2E)-3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","3-[(2E)-3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one","","C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=C(C(=O)C=CC=C3)O","JEZLGHUPGPOHDO-FNORWQNLSA-N","5889984",NA,"PDBC21275","356903","Present"
-"3-[(2S,3Ar,9aS,9bS)-3a-(hydroxymethyl)-6,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2-hydroxy-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","3-[(2S,3Ar,9aS,9bS)-3a-(hydroxymethyl)-6,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2-hydroxy-2H-furan-5-one","","CC1(CCCC2(C1CCC3(C2CC(O3)C4=CC(=O)OC4O)CO)C)C","KRFXWKURJSADKH-RTVRYBNZSA-N","11970052",NA,"PDBC21276","658002","Present"
-"3-[(2Z)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-8-methoxybenzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","3-[(2Z)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-8-methoxybenzo[c]chromen-6-one","","COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=NO)C4=CC=C(C=C4)F)OC2=O","MBTNWAFRXUFKCD-HIXSDJFHSA-N","24205387",NA,"PDBC21277","735339","Present"
-"3-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-8-methoxybenzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","3-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-8-methoxybenzo[c]chromen-6-one","","COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=NOC)C4=CC=C(C=C4)F)OC2=O","ZAKSLVBULTXXAX-NJNXFGOHSA-N","24205388",NA,"PDBC21278","735340","Present"
-"3-[(2Z)-2-Hydroxyimino-2-(3-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","3-[(2Z)-2-Hydroxyimino-2-(3-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one","","COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=NO)C4=CC(=CC=C4)OC)OC2=O","DKPLLWGRXPMOSN-DARPEHSRSA-N","24205378",NA,"PDBC21279","735330","Present"
-"3-[(2Z)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","3-[(2Z)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one","","COC1=CC=C(C=C1)C(=NO)COC2=CC3=C(C=C2)C4=C(C=C(C=C4)OC)C(=O)O3","WVYFTZCWGWQWPN-DARPEHSRSA-N","24205376",NA,"PDBC21280","735328","Present"
-"3-[(2Z)-2-Hydroxyiminopropoxy]-8-methoxybenzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","3-[(2Z)-2-Hydroxyiminopropoxy]-8-methoxybenzo[c]chromen-6-one","","CC(=NO)COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC)C(=O)O2","IQHRIIDMTAUVFB-ZDLGFXPLSA-N","24205389",NA,"PDBC21281","735341","Present"
-"3-[(2Z)-2-Methoxyimino-2-phenylethoxy]xanthen-9-one","","","","","","","","","","","","","","","","","","","","3-[(2Z)-2-Methoxyimino-2-phenylethoxy]xanthen-9-one","","CON=C(COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)C4=CC=CC=C4","BUSXVXGHGCLXJQ-FCDQGJHFSA-N","24202966",NA,"PDBC21282","726398","Present"
-"3-[(3,4,5-Trimethoxyphenyl)amino]quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(3,4,5-Trimethoxyphenyl)amino]quinoxaline-2-carboxylic acid","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3N=C2C(=O)O","RUOIAZMYQGLYND-UHFFFAOYSA-N","383925",NA,"PDBC21283","672881","Present"
-"3-[(3,4-Dichlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine","","","","","","","","","","","","","","","","","","","","2H-Pyrido[3,2-h]-1,3-benzoxazine, 3-[(3,4-dichlorophenyl...","","C1C2=C(C3=C(C=CC=N3)C=C2)OCN1CC4=CC(=C(C=C4)Cl)Cl","VUZSRKIHWDKOQQ-UHFFFAOYSA-N","291308",NA,"PDBC21284","156325","Present"
-"3-[(3,4-Dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(3,4-Dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","C1=CC(=C(C=C1CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)Cl)Cl","LMUHFEAYMZYYDR-UHFFFAOYSA-N","390819",NA,"PDBC21285","688821","Present"
-"3-[(3,4-Dihydroxyphenyl)methyl]-2-hydroxy-1-(2-isopropenyl-5-methyl-hex-4-enyl)-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione","","","","","","","","","","","","","","","","","","","","3-[(3,4-Dihydroxyphenyl)methyl]-4-hydroxy-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)-5-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione","","CC(=CCC1CC2(C(=C(C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC3=CC(=C(C=C3)O)O)O)CC(CC=C(C)C)C(=C)C)C","VJXOJGNMGGVHLA-UHFFFAOYSA-N","377290",NA,"PDBC21286","658581","Present"
-"3-[(3,4-Dimethoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(3,4-Dimethoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","COC1=C(C=C(C=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)OC","BXHKUCPDUFBRTJ-UHFFFAOYSA-N","390817",NA,"PDBC21287","688819","Present"
-"3-[(3,5-Dichlorophenyl)methyl-methylamino]-1,2-diphenylpropan-1-one","","","","","","","","","","","","","","","","","","","","3-[(3,5-Dichlorobenzyl)(methyl)amino]-1,2-diphenylpropan-1-one","","CN(CC1=CC(=CC(=C1)Cl)Cl)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3","HYBVVHAETRLEFE-UHFFFAOYSA-N","360991",NA,"PDBC21288","623723","Present"
-"3-[(3,5-Dichlorophenyl)sulfonylamino]-3-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[(3,5-Dichlorophenyl)sulfonylamino]-3-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide","","CCCCCCCCCCCCOC1C2C(OC1C(CC(=O)NCCN3CCCC3)NS(=O)(=O)C4=CC(=CC(=C4)Cl)Cl)OC(O2)(C)C","WFOJHQYIUWUDSB-UHFFFAOYSA-N","45028444",NA,"PDBC21289","742858","Present"
-"3-[(3,5-Dimethoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","3-[(3,5-Dimethoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline","","COC1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","JLCITVSQZPOUHW-UHFFFAOYSA-N","389427",NA,"PDBC21290","685509","Present"
-"3-[(3-Carboxy-5-chloro-2-hydroxy-phenyl)methyl]-5-chloro-2-hydroxy-benzoic acid","","","","","","","","","","","","","","","","","","","","3-[(3-Carboxy-5-chloro-2-hydroxy-phenyl)methyl]-5-chloro-2-hydroxy-benzoic acid","","C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)C(=O)O)O)O)C(=O)O)Cl","MYWSNMYFEXILSQ-UHFFFAOYSA-N","241379",NA,"PDBC21291","48684","Present"
-"3-[(3-Ethoxy-4-methoxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one","","","","","","","","","","","","","","","","","","","","3-[(3-Ethoxy-4-methoxy-phenyl)-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-2-hydroxy-chromen-4-one","","CCOC1=C(C=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)OC","FXAGEJXMLSHWAG-UHFFFAOYSA-N","54688729",NA,"PDBC21292","707685","Present"
-"3-[(3-Fluorophenyl)carbamothioylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[(3-Fluorophenyl)carbamothioylsulfanyl]propanoic acid","","C1=CC(=CC(=C1)F)NC(=S)SCCC(=O)O","PXCIQKJQAFWSDK-UHFFFAOYSA-N","3481241",NA,"PDBC21293","619428","Present"
-"3-[(3-Fluorophenyl)carbamoylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[N-(3-Fluorophenylthiocarbamoyl)]-propanoic acid","","C1=CC(=CC(=C1)F)NC(=O)SCCC(=O)O","XWQMOFPAJHEDKR-UHFFFAOYSA-N","363902",NA,"PDBC21294","629290","Present"
-"3-[(3-Nitrophenyl)carbamoylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[N-(3-Nitrophenylthiocarbamoyl)]-propanoic acid","","C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)SCCC(=O)O","VCPOTSOUXVDVJO-UHFFFAOYSA-N","363896",NA,"PDBC21295","629284","Present"
-"3-[(3-Nitropyridin-2-yl)diazenyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","3-[(3-Nitropyridin-2-yl)diazenyl]-1H-indol-2-ol","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C=CC=N3)[N+](=O)[O-]","ZGNFWOTUFNTVRI-UHFFFAOYSA-N","4418979",NA,"PDBC21296","602069","Present"
-"3-[(3-Pyridinyl)methylene]-5-methoxy-6-methylindolin-2-one","","","","","","","","","","","","","","","","","","","","3-[(3-Pyridinyl)methylene]-5-methoxy-6-methylindolin-2-one","","CC1=CC2=C(C=C1OC)C(=CC3=CN=CC=C3)C(=O)N2","SXDBOMRCCADVJU-QPEQYQDCSA-N","5473202",NA,"PDBC21297","724433","Present"
-"3-[(3As)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazol-3-yl]phenol","","","","","","","","","","","","","","","","","","","","3-[(3As)-2-methyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl]phenol","","CN1C(C2CCC3=CC=CC=C3C2=N1)C4=CC(=CC=C4)O","SMBKGAFTZREEPP-PYUWXLGESA-N","374680",NA,"PDBC21298","652814","Present"
-"3-[(3E)-3-(Methylhydrazinylidene)-1-phenyl-2-(piperidin-1-ylmethyl)butyl]-2H-chromen-4-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","3-[(3E)-3-(Methylhydrazinylidene)-1-phenyl-2-(piperidin-1-ylmethyl)butyl]-2H-chromen-4-ol;hydrochloride","","CC(=NNC)C(CN1CCCCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4.Cl","WXOPSJXSDAGUDS-SOQZJLQASA-N","5351402",NA,"PDBC21299","647418","Present"
-"3-[(3E,7E,11E,15E)-18-(3,3-Dimethylthiiran-2-yl)-3,7,12,16-tetramethyl-octadeca-3,7,11,15-tetraenyl]-2,2-dimethyl-oxirane","","","","","","","","","","","","","","","","","","","","3-[(3E,7E,11E,15E)-18-(3,3-Dimethylthiiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane","","CC(=CCCC=C(C)CCC=C(C)CCC1C(S1)(C)C)CCC=C(C)CCC2C(O2)(C)C","FQVRTIUYKGARMY-TXLDAEQNSA-N","5467352",NA,"PDBC21300","651004","Present"
-"3-[(3R)-3-Aminopyrrolidine-1-carbonyl]-5,10-dihydroxy-2-methylnaphtho[2,3-f][1]benzofuran-4,11-dione","","","","","","","","","","","","","","","","","","","","(S)-3-(3-aminopyrrolidine-1-carbonyl)-4,11-dihydroxy-2-m...","","CC1=C(C2=C(O1)C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O)C(=O)N5CCC(C5)N","GYYACSOHDBBOMG-SNVBAGLBSA-N","137631218",NA,"PDBC21301","766921","Present"
-"3-[(3Z)-3-(2-Hydroxyethoxyimino)indol-2-yl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","3-[(3Z)-3-(2-Hydroxyethoxyimino)indol-2-yl]-1H-indol-2-ol","","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCO","DBQBVWQSCVSKJI-PGMHBOJBSA-N","135436293",NA,"PDBC21302","717833","Present"
-"3-[(3Z)-3-(3-Hydroxypropoxyimino)indol-2-yl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","3-[(3Z)-3-(3-Hydroxypropoxyimino)indol-2-yl]-1H-indol-2-ol","","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCCO","JGRCUNSBOPZQIG-XLNRJJMWSA-N","135436294",NA,"PDBC21303","717834","Present"
-"3-[(4,5-Dimethoxy-2-nitro-anilino)methyl]-7,8-dimethoxy-chroman-4-one","","","","","","","","","","","","","","","","","","","","3-[(4,5-Dimethoxy-2-nitro-anilino)methyl]-7,8-dimethoxy-chroman-4-one","","COC1=C(C2=C(C=C1)C(=O)C(CO2)CNC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC","ZEHUUMPOOHZPLB-UHFFFAOYSA-N","355394",NA,"PDBC21304","608833","Present"
-"3-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonyl]thiazolidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-{[(4,5-Dimethoxy-2-nitrobenzyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylic acid","","COC1=C(C=C(C(=C1)COC(=O)N2CSCC2C(=O)O)[N+](=O)[O-])OC","HLCVGBQZVARFNV-UHFFFAOYSA-N","375624",NA,"PDBC21305","655446","Present"
-"3-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione","","CCN1C(=NNC1=S)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","YDDLAKKAHJWKKC-UHFFFAOYSA-N","3004407",NA,"PDBC21306","650819","Present"
-"3-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-5-ethylsulfanyl-4-phenyl-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","3-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-5-ethylsulfanyl-4-phenyl-1,2,4-triazole","","CCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5","ZCLSFQCZNYOWFI-UHFFFAOYSA-N","370614",NA,"PDBC21307","643905","Present"
-"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-fluorophenyl)methyl]-4,7-dihydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-fluorophenyl)methyl]-4,7-dihydroxy-chromen-2-one","","C1=CC=C(C(=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O)F","CPOUBPAXSCZNDP-UHFFFAOYSA-N","54686211",NA,"PDBC21308","686582","Present"
-"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)methyl]-4,7-dihydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)methyl]-4,7-dihydroxy-chromen-2-one","","C1=CC=C2C=C(C=CC2=C1)C(C3=C(C4=C(C=C(C=C4)O)OC3=O)O)C5=C(C6=C(C=C(C=C6)O)OC5=O)O","XUGKUQFLVGMDAZ-UHFFFAOYSA-N","54680670",NA,"PDBC21309","686575","Present"
-"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-pyridyl)methyl]-4,7-dihydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-pyridyl)methyl]-4,7-dihydroxy-chromen-2-one","","C1=CC=NC(=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O","GOILOMCGUQUBPC-UHFFFAOYSA-N","54686240",NA,"PDBC21310","686581","Present"
-"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(3-pyridyl)methyl]-4,7-dihydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(3-pyridyl)methyl]-4,7-dihydroxy-chromen-2-one","","C1=CC(=CN=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O","FXBQFSDQNSBOAW-UHFFFAOYSA-N","54686239",NA,"PDBC21311","686580","Present"
-"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]-4,7-dihydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]-4,7-dihydroxy-chromen-2-one","","C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(C3=C(C4=C(C=C(C=C4)O)OC3=O)O)C5=C(C6=C(C=C(C=C6)O)OC5=O)O","REVJZDNNUGJQRS-VOTSOKGWSA-N","54686238",NA,"PDBC21312","686394","Present"
-"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-phenyl-methyl]-4,7-dihydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-phenyl-methyl]-4,7-dihydroxy-chromen-2-one","","C1=CC=C(C=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O","VVWWDJLASYYMNG-UHFFFAOYSA-N","54680450",NA,"PDBC21313","682614","Present"
-"3-[(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)methoxy]propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-[(4-Aminopyrazolo[5,4-d]pyrimidin-1-yl)methoxy]propane-1,2-diol","","C1=NN(C2=NC=NC(=C21)N)COCC(CO)O","MOYWNLMAVYKYDH-UHFFFAOYSA-N","396582",NA,"PDBC21314","703071","Present"
-"3-[(4-Benzamidophenyl)sulfonylamino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[(4-Benzamidophenyl)sulfonylamino]propanoic acid","","C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O","UXMZJCAIRTXPEW-UHFFFAOYSA-N","362843",NA,"PDBC21315","627216","Present"
-"3-[(4-Benzoylphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[(4-Benzoylphenyl)-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-2-hydroxy-chromen-4-one","","C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","RWJGGLMZTPAXFX-UHFFFAOYSA-N","54694512",NA,"PDBC21316","689411","Present"
-"3-[(4-Benzyloxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[(4-Benzyloxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one","","C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","MAEXMJZVOCLSLV-UHFFFAOYSA-N","54685686",NA,"PDBC21317","686382","Present"
-"3-[(4-Bromophenyl)diazenyl]-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Bromophenyl)azo-2-methyl-pyrimido[2,3-b][1,3]benzothiazol-4-one","","CC1=C(C(=O)N2C3=CC=CC=C3SC2=N1)N=NC4=CC=C(C=C4)Br","HGQCKJYCEULSFX-UHFFFAOYSA-N","397293",NA,"PDBC21318","704846","Present"
-"3-[(4-Bromophenyl)iminomethyl]-4-hydroxy-5-methoxybenzaldehyde","","","","","","","","","","","","","","","","","","","","3-[(4-Bromophenyl)iminomethyl]-4-hydroxy-5-methoxybenzaldehyde","","COC1=CC(=CC(=C1O)C=NC2=CC=C(C=C2)Br)C=O","NREJEICTUDYQGR-UHFFFAOYSA-N","403367",NA,"PDBC21319","718160","Present"
-"3-[(4-Carboxyphenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(4-Carboxyphenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","C1=CC(=CC=C1C(=O)O)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","XFOHAPPNKPGXTH-UHFFFAOYSA-N","386965",NA,"PDBC21320","680192","Present"
-"3-[(4-Chloroanilino)methyl]-5-[8-[4-[(4-chloroanilino)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione","","","","","","","","","","","","","","","","","","","","3-[(4-Chloroanilino)methyl]-5-[8-[4-[(4-chloroanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione","","C1=CC(=CC=C1NCN2C(=S)OC(=N2)CCCCCCCCC3=NN(C(=S)O3)CNC4=CC=C(C=C4)Cl)Cl","IUKKVKUJPCDFQA-UHFFFAOYSA-N","394059",NA,"PDBC21321","697177","Present"
-"3-[(4-Chlorophenoxy)-(2-oxo-1,3-benzoxazol-3-yl)phosphoryl]-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenoxy)-(2-oxo-1,3-benzoxazol-3-yl)phosphoryl]-1,3-benzoxazol-2-one","","C1=CC=C2C(=C1)N(C(=O)O2)P(=O)(N3C4=CC=CC=C4OC3=O)OC5=CC=C(C=C5)Cl","TYICZEUUYKBVGU-UHFFFAOYSA-N","359351",NA,"PDBC21322","620150","Present"
-"3-[(4-Chlorophenoxy)methyl]-10-methyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenoxy)methyl]-10-methyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide","","CN1C2=CC=CC=C2S(=O)(=O)N3C1=NN=C3COC4=CC=C(C=C4)Cl","NZKNCMVBGGKKNK-UHFFFAOYSA-N","341528",NA,"PDBC21323","373878","Present"
-"3-[(4-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione","","COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=NNC3=S)COC4=CC=C(C=C4)Cl)[N+](=O)[O-]","GPGIDQQQSVUHEL-FOKLQQMPSA-N","9572707",NA,"PDBC21324","724645","Present"
-"3-[(4-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)COC5=CC=C(C=C5)Cl)F","FZCYPELGZKLKRT-UHFFFAOYSA-N","11236342",NA,"PDBC21325","726272","Present"
-"3-[(4-Chlorophenoxy)methyl]-6-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenoxy)methyl]-6-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC(=CC=C1OCC2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)Cl","CNNRMJNITVFYPP-UHFFFAOYSA-N","402005",NA,"PDBC21326","715694","Present"
-"3-[(4-Chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol","","","","","","","","","","","","","","","","","","","","5-(p-Chlorophenoxy)methylenetriazolo[3,4-b]thiadiazol-2-...","","C1=CC(=CC=C1OCC2=NN=C3N2NC(=S)S3)Cl","HWOAQZBIJPMRLH-UHFFFAOYSA-N","5473014",NA,"PDBC21327","723444","Present"
-"3-[(4-Chlorophenyl)-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)methyl]-4-hydroxy-naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)methyl]-4-hydroxy-naphthalene-1,2-dione","","C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C(C3=CC=C(C=C3)Cl)C4=C(C5=CC=CC=C5C(=O)C4=O)O)O","HVYRMCCQYYCOET-UHFFFAOYSA-N","272648",NA,"PDBC21328","117271","Present"
-"3-[(4-Chlorophenyl)carbamothioyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)carbamothioyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid","","C1=CC(=CC=C1NC(=S)N2C(=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)O)COC4=CC=C(C=C4)OC5=C(C=C(C=C5)Cl)Cl)Cl","YWKFPKLIYXDYAP-UHFFFAOYSA-N","5472400",NA,"PDBC21329","718388","Present"
-"3-[(4-Chlorophenyl)diazenyl]-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)azo-2-methyl-pyrimido[2,3-b][1,3]benzothiazol-4-one","","CC1=C(C(=O)N2C3=CC=CC=C3SC2=N1)N=NC4=CC=C(C=C4)Cl","PDXNGIPOFUSTLT-UHFFFAOYSA-N","397288",NA,"PDBC21330","704841","Present"
-"3-[(4-Chlorophenyl)methyl]-2-methylbenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-(4-Chlorobenzyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4C2=O","SVSHJTUWAATVTO-UHFFFAOYSA-N","374273",NA,"PDBC21331","651774","Present"
-"3-[(4-Chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one","","CC1=CC=C(N1N2C(=NNC2=O)CC3=CC=C(C=C3)Cl)C","UVZYZMKVYKVBFU-UHFFFAOYSA-N","388872",NA,"PDBC21332","684065","Present"
-"3-[(4-Chlorophenyl)methyl]-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one","","C1=CC(=CC=C1CC2=NNC(=O)N2CCO)Cl","KGZUCGBHJFXKIX-UHFFFAOYSA-N","389499",NA,"PDBC21333","685785","Present"
-"3-[(4-Chlorophenyl)methyl]-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","COC1=CC(=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl)OC","UHFIBKJUHOTYFV-RGVLZGJSSA-N","9556390",NA,"PDBC21334","702398","Present"
-"3-[(4-Chlorophenyl)methyl]-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","COC1=CC(=CC(=C1OC)OC)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","XHUOJPOGQORZTR-SRZZPIQSSA-N","9556360",NA,"PDBC21335","698069","Present"
-"3-[(4-Chlorophenyl)methyl]-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","COC1=CC=CC(=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","KQPGZLXJMDQZKV-YBFXNURJSA-N","9556356",NA,"PDBC21336","698065","Present"
-"3-[(4-Chlorophenyl)methyl]-4-[(E)-(4-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-[(E)-(4-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one","","COC1=CC=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","FIRDABOFDSKZES-YBFXNURJSA-N","9556352",NA,"PDBC21337","698061","Present"
-"3-[(4-Chlorophenyl)methyl]-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one","","C1=CC(=CC=C1CC2=NNC(=O)N2N=CC3=CC=C(O3)[N+](=O)[O-])Cl","SALZHTFMSVUBNK-LZYBPNLTSA-N","9556388",NA,"PDBC21338","702396","Present"
-"3-[(4-Chlorophenyl)methyl]-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","C1=CC=C2C(=C1)C(=CN2)C=NN3C(=NNC3=O)CC4=CC=C(C=C4)Cl","NZWNQZXJJFMUPL-SRZZPIQSSA-N","135505174",NA,"PDBC21339","702402","Present"
-"3-[(4-Chlorophenyl)methyl]-4-[(E)-[4-[(Z)-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-[(E)-[4-[(Z)-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one","","C1=CC(=CC=C1CC2=NNC(=O)N2N=CC3=CC=C(C=C3)C=NN4C(=NNC4=O)CC5=CC=C(C=C5)Cl)Cl","LXKIWHMEXCVGPA-CBTGBURPSA-N","54611479",NA,"PDBC21340","706420","Present"
-"3-[(4-Chlorophenyl)methyl]-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","C1=COC(=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","XNASOMWPYMBKJQ-CXUHLZMHSA-N","9556342",NA,"PDBC21341","698051","Present"
-"3-[(4-Chlorophenyl)methyl]-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one","","C1=CSC(=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","GWBZYEHFFAYTEP-CXUHLZMHSA-N","9556346",NA,"PDBC21342","698055","Present"
-"3-[(4-Chlorophenyl)methyl]-4-hydroxy-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-4-hydroxy-1H-1,2,4-triazol-5-one","","C1=CC(=CC=C1CC2=NNC(=O)N2O)Cl","KVINILXXNJBRJB-UHFFFAOYSA-N","385478",NA,"PDBC21343","676714","Present"
-"3-[(4-Chlorophenyl)methyl]-7-(4-methoxyphenyl)-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorobenzyl)-7-(4-methoxyphenyl)-4h,8h-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one","","COC1=CC=C(C=C1)C2=NN3C(=O)C(=NN=C3SC2)CC4=CC=C(C=C4)Cl","OWNXPHGDVWOTKG-UHFFFAOYSA-N","400830",NA,"PDBC21344","713336","Present"
-"3-[(4-Chlorophenyl)methyl]-7-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4-Chlorophenyl)methyl]-7-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","C1=CC(=CC=C1CC2=NN=C3N(C2=O)N=C(S3)C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)Cl","HWWJWKSSDWFSDW-UHFFFAOYSA-N","400797",NA,"PDBC21345","713303","Present"
-"3-[(4-Ethoxycarbonylphenyl)carbamoylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[N-(4-Ethylcarboxyphenylthiocarbamoyl)]-propanoic acid","","CCOC(=O)C1=CC=C(C=C1)NC(=O)SCCC(=O)O","OGOHCOQFGDXLKD-UHFFFAOYSA-N","363904",NA,"PDBC21346","629292","Present"
-"3-[(4-Fluorophenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","3-[(4-Fluorophenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)F","WVQUAYBMGCGGIM-UHFFFAOYSA-N","392820",NA,"PDBC21347","693776","Present"
-"3-[(4-Fluorophenyl)amino]quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(4-Fluorophenyl)amino]quinoxaline-2-carboxylic acid","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)F)C(=O)O","BZHSZRHMWYFZME-UHFFFAOYSA-N","387140",NA,"PDBC21348","680556","Present"
-"3-[(4-Fluorophenyl)methyl]-2-methylbenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-(4-Fluorobenzyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4C2=O","JTHJARBCUPHUQE-UHFFFAOYSA-N","374275",NA,"PDBC21349","651776","Present"
-"3-[(4-Hydroxyethylpiperidine)-1-propyl]-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline","","","","","","","","","","","","","","","","","","","","3-[(4-Hydroxyethylpiperidine)-1-propyl]-5,6-dihydro-2,3-...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCN(CC6)CCO)OC","JYHRUUYQZXLFOH-UHFFFAOYSA-N","16090543",NA,"PDBC21350","724995","Present"
-"3-[(4-Hydroxyphenyl)methyl]-5,7,8-trimethoxy-2,3-dihydrochromen-4-one","","","","","","","","","","","","","","","","","","","","5, 7, 8-trimethoxy-3-(4'-hydroxybenzyl)-4-chromanone","","COC1=CC(=C(C2=C1C(=O)C(CO2)CC3=CC=C(C=C3)O)OC)OC","PHRUXNVWPBRUKM-UHFFFAOYSA-N","404857",NA,"PDBC21351","721401","Present"
-"3-[(4-Iodophenyl)methylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[(4-Iodobenzyl)sulfanyl]propanoic acid","","C1=CC(=CC=C1CSCCC(=O)O)I","AMKZYZIVWNLINY-UHFFFAOYSA-N","236954",NA,"PDBC21352","40019","Present"
-"3-[(4-Methoxyanilino)methyl]-5-[8-[4-[(4-methoxyanilino)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione","","","","","","","","","","","","","","","","","","","","3-[(4-Methoxyanilino)methyl]-5-[8-[4-[(4-methoxyanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione","","COC1=CC=C(C=C1)NCN2C(=S)OC(=N2)CCCCCCCCC3=NN(C(=S)O3)CNC4=CC=C(C=C4)OC","QYUMVTGEEBDFGS-UHFFFAOYSA-N","394060",NA,"PDBC21353","697178","Present"
-"3-[(4-Methoxycarbonylcubane-1-carbonyl)amino]-3-methyl-butanoic acid","","","","","","","","","","","","","","","","","","","","3-[(4-Methoxycarbonylcubane-1-carbonyl)amino]-3-methyl-butanoic acid","","CC(C)(CC(=O)O)NC(=O)C12C3C4C1C5C2C3C45C(=O)OC","WWKVEJNGAUHLSZ-UHFFFAOYSA-N","386908",NA,"PDBC21354","679809","Present"
-"3-[(4-Methoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline","","","","","","","","","","","","","","","","","","","","3-[(4-Methoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline","","COC1=CC=C(C=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","NUPDXNKQHOAJIA-UHFFFAOYSA-N","389428",NA,"PDBC21355","685510","Present"
-"3-[(4-Methoxyphenyl)amino]quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(4-Methoxyphenyl)amino]quinoxaline-2-carboxylic acid","","COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)O","MVBOGMAOIQCWMS-UHFFFAOYSA-N","388005",NA,"PDBC21356","682368","Present"
-"3-[(4-Methoxyphenyl)methyl]-2-methylbenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-(4-Methoxybenzyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=NC2=C(N1CC3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4C2=O","PUYYBWVHNYXRJH-UHFFFAOYSA-N","374274",NA,"PDBC21357","651775","Present"
-"3-[(4-Methoxyphenyl)thio]-2H-isoindole-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","1-carbaldehyde-3-(4-methoxy-phenylsulfanyl)-2H-isoindole","","COC1=CC=C(C=C1)SC2=C3C=CC=CC3=C(N2)C=O","XHWPCVAJPVXNPY-UHFFFAOYSA-N","53361730",NA,"PDBC21358","749086","Present"
-"3-[(4-Methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(4-Methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid","","CC1=CC=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)O3","BENBELMNAUKKHX-UHFFFAOYSA-N","369533",NA,"PDBC21359","641390","Present"
-"3-[(4-Methylphenyl)sulfonylcarbamoylamino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-(p-Tolylsulfonylcarbamoylamino)propanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC(=O)O","AKDCATILENXQKJ-UHFFFAOYSA-N","396486",NA,"PDBC21360","702670","Present"
-"3-[(4-Methylpiperazin-1-yl)methyl]indeno[1,2-c]pyridazin-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Methylpiperazin-1-yl)methyl]indeno[1,2-c]pyridazin-5-one","","CN1CCN(CC1)CC2=CC3=C(C4=CC=CC=C4C3=O)N=N2","RGRONFKERSVOCR-UHFFFAOYSA-N","387037",NA,"PDBC21361","680357","Present"
-"3-[(4-Nitrophenyl)carbamothioylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[N-(4-Nitrophenyldithiocarbamoyl)]-propanoic acid","","C1=CC(=CC=C1NC(=S)SCCC(=O)O)[N+](=O)[O-]","YGHYFASWXGQOMN-UHFFFAOYSA-N","3004113",NA,"PDBC21362","629286","Present"
-"3-[(4-Nitrophenyl)carbamoylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[N-(4-Nitrophenylthiocarbamoyl)]-propanoic acid","","C1=CC(=CC=C1NC(=O)SCCC(=O)O)[N+](=O)[O-]","XVPMIIMBONFWDX-UHFFFAOYSA-N","363897",NA,"PDBC21363","629285","Present"
-"3-[(4-Nitrophenyl)methyl]-1,4-dihydro-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(4-Nitrophenyl)methyl]-1,4-dihydro-1,2,4-triazol-5-one","","C1=CC(=CC=C1CC2=NNC(=O)N2)[N+](=O)[O-]","LSBKXAKAWCNZNU-UHFFFAOYSA-N","135489804",NA,"PDBC21364","678391","Present"
-"3-[(4-Phenyldiazenylphenyl)carbamoylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[(4-Phenyldiazenylphenyl)carbamoylsulfanyl]propanoic acid","","C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)SCCC(=O)O","VJZSWYVJGBJPID-UHFFFAOYSA-N","359046",NA,"PDBC21365","619423","Present"
-"3-[(4R,5R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-[(4R,5R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentane-2,4-dione","","CC(=O)C(C1C(OC(O1)(C)C)C2COC(O2)(C)C)C(=O)C","JDWNJTKXDUWOIJ-KGYLQXTDSA-N","399503",NA,"PDBC21366","710364","Present"
-"3-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentane-2,4-dione","","CC(=O)C(C1C(OC(O1)(C)C)C2COC(O2)(C)C)C(=O)C","JDWNJTKXDUWOIJ-RTXFEEFZSA-N","400536",NA,"PDBC21367","712581","Present"
-"3-[(4Z)-4-[(2-Nitrophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4Z)-4-[(2-Nitrophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=NC(=CC5=CC=CC=C5[N+](=O)[O-])C4=O)C6=CC=CC=C6","ODIBIVIJJVLMIU-PLRJNAJWSA-N","5799413",NA,"PDBC21368","657367","Present"
-"3-[(4Z)-4-[(3,5-Dibromophenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4Z)-4-[(3,5-Dibromophenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","CC1=NC(=CC2=CC(=CC(=C2)Br)Br)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","DHTKJYAJEJENSN-XKZIYDEJSA-N","6306751",NA,"PDBC21369","657368","Present"
-"3-[(4Z)-4-[(3-Chlorophenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4Z)-4-[(3-Chlorophenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","CC1=NC(=CC2=CC(=CC=C2)Cl)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","RDEGRTHXCFSWJD-JCMHNJIXSA-N","5930174",NA,"PDBC21370","657362","Present"
-"3-[(4Z)-4-[(3-Chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4Z)-4-[(3-Chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=NC(=CC5=CC(=CC=C5)Cl)C4=O)C6=CC=CC=C6","CWRYGBUNNYNGAO-XHPQRKPJSA-N","6296347",NA,"PDBC21371","657363","Present"
-"3-[(4Z)-4-[(3-Hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4Z)-4-[(3-Hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=NC(=CC5=CC(=CC=C5)O)C4=O)C6=CC=CC=C6","IVWHOSKGAIBAAZ-XHPQRKPJSA-N","5916453",NA,"PDBC21372","657366","Present"
-"3-[(4Z)-4-[(3-Methoxyphenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4Z)-4-[(3-Methoxyphenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","CC1=NC(=CC2=CC(=CC=C2)OC)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","ZRSWSDNUBJGSGC-KQWNVCNZSA-N","6081364",NA,"PDBC21373","657364","Present"
-"3-[(4Z)-4-[(3-Methoxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4Z)-4-[(3-Methoxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","COC1=CC=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","NBXDARPXNDBAMG-OOAXWGSJSA-N","5927953",NA,"PDBC21374","657365","Present"
-"3-[(4Z)-4-[(4-Hydroxyphenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4Z)-4-[(4-Hydroxyphenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","CC1=NC(=CC2=CC=C(C=C2)O)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","MDEZDBIRXIUURX-JCMHNJIXSA-N","6070686",NA,"PDBC21375","657356","Present"
-"3-[(4Z)-4-[(4-Hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4Z)-4-[(4-Hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=NC(=CC5=CC=C(C=C5)O)C4=O)C6=CC=CC=C6","PVFYZPXAJJHLJN-XHPQRKPJSA-N","5803241",NA,"PDBC21376","657357","Present"
-"3-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylene]imidazol-1-yl]-2-phenyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylene]imidazol-1-yl]-2-phenyl-quinazolin-4-one","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","CPANPPPTWOKTNI-ITYLOYPMSA-N","5874010",NA,"PDBC21377","657361","Present"
-"3-[(5-Chloro-1,3-benzoxazol-2-yl)methylamino]-1H-1,2,4-triazole-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-{[(5-Chloro-1,3-benzoxazol-2-yl)methyl]amino}-1h-1,2,4-triazole-5-carboxylic acid","","C1=CC2=C(C=C1Cl)N=C(O2)CNC3=NNC(=N3)C(=O)O","QDXRBCABHIXDFB-UHFFFAOYSA-N","401577",NA,"PDBC21378","715272","Present"
-"3-[(5-Oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]butanal","","","","","","","","","","","","","","","","","","","","3-[(5-Oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]butanal","","CC(CC=O)NC1=NN2C(=O)C3=CC=CC=C3N=C2S1","GBRQTLLEKUOFPZ-UHFFFAOYSA-N","396305",NA,"PDBC21379","702029","Present"
-"3-[(6-Benzyl-5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]propyl acetate","","","","","","","","","","","","","","","","","","","","3-[(6-Benzyl-5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]propyl acetate","","CC1=C(N(C(=O)NC1=O)COCCCOC(=O)C)CC2=CC=CC=C2","JHMYDEWEMJEPMV-UHFFFAOYSA-N","392943",NA,"PDBC21380","694154","Present"
-"3-[(6-Chloro-2-methoxy-acridin-9-yl)amino]propyl-[16-[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propyl-dimethyl-ammonio]hexadecyl]-dimethyl-ammonium","","","","","","","","","","","","","","","","","","","","3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propyl-[16-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl-dimethylazaniumyl]hexadecyl]-dimethylazanium","","C[N+](C)(CCCCCCCCCCCCCCCC[N+](C)(C)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC","SOSRTZNWDFUFER-UHFFFAOYSA-N","427949",NA,"PDBC21381","226510","Present"
-"3-[(6-Chloropyridin-3-yl)oxymethyl]-2-azabicyclo[2.2.0]hex-5-ene;oxalic acid","","","","","","","","","","","","","","","","","","","","3-{[(6-Chloropyridin-3-yl)oxy]methyl}-2-azabicyclo[2.2.0]hex-5-ene ethanedioate","","C1=CC2C1C(N2)COC3=CN=C(C=C3)Cl.C(=O)(C(=O)O)O","RRRHAVDBNMYMOV-UHFFFAOYSA-N","401403",NA,"PDBC21382","714932","Present"
-"3-[(6-Chloropyridin-3-yl)oxymethyl]-2-azabicyclo[2.2.2]octane;hydrochloride","","","","","","","","","","","","","","","","","","","","3-{[(6-Chloropyridin-3-yl)oxy]methyl}-2-azabicyclo[2.2.2]octane hydrochloride","","C1CC2CCC1C(N2)COC3=CN=C(C=C3)Cl.Cl","KNRISQHUEXTITE-UHFFFAOYSA-N","401397",NA,"PDBC21383","714929","Present"
-"3-[(6-Methoxyquinolin-8-yl)amino]propanoic acid","","","","","","","","","","","","","","","","","","","","OOAVDHSWYXYUIT-UHFFFAOYSA-N","","COC1=CC(=C2C(=C1)C=CC=N2)NCCC(=O)O","OOAVDHSWYXYUIT-UHFFFAOYSA-N","232155",NA,"PDBC21384","29209","Present"
-"3-[(7-Chloroquinolin-4-yl)amino]propane-1,2-diol;hydrochloride","","","","","","","","","","","","","","","","","","","","3-[(7-Chloroquinolin-4-yl)amino]propane-1,2-diol;hydrochloride","","C1=CC2=C(C=CN=C2C=C1Cl)NCC(CO)O.Cl","ZEIJGIBDTVMVTI-UHFFFAOYSA-N","370992",NA,"PDBC21385","644812","Present"
-"3-[(7-Methoxy-1-nitro-acridin-9-yl)amino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[(7-Methoxy-1-nitro-acridin-9-yl)amino]propanoic acid","","COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCC(=O)O","NFWSKLAUALATLI-UHFFFAOYSA-N","378850",NA,"PDBC21386","662190","Present"
-"3-[(7-Methoxy-1-nitroacridin-9-yl)amino]propan-1-ol","","","","","","","","","","","","","","","","","","","","9-Acridinamine, N-(3-hydroxypropyl)-7-methoxy-1-nitro-","","COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCCO","LDRJZRDGRTXWOE-UHFFFAOYSA-N","384251",NA,"PDBC21387","673797","Present"
-"3-[(9-Amino-7-ethoxyacridin-3-yl)diazenyl]pyridine-2,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","3-((9-Amino-7-ethoxyacridin-3-yl)diazenyl)pyridine-2,6-d...","","CCOC1=CC2=C(C3=C(C=C(C=C3)N=NC4=C(N=C(C=C4)N)N)N=C2C=C1)N.Cl","HYTMVPCGCCQGST-UHFFFAOYSA-N","54607743",NA,"PDBC21388","354961","Present"
-"3-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one","","C1CCC(CC1)N2C(=NNC2=O)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53","BYBLYGQFUXYQTB-UHFFFAOYSA-N","394895",NA,"PDBC21389","698986","Present"
-"3-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione","","C1CCC(CC1)N2C(=NNC2=S)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53","QKWCHGIAVAZNMX-UHFFFAOYSA-N","3005420",NA,"PDBC21390","698984","Present"
-"3-[(Aminocarbonyl)amino-N-4benzylphenyl]-N-(4-benzylphenyl)-1H-pyrazole-5-phenyl-1-carboxamide","","","","","","","","","","","","","","","","","","","","3-[(aminocarbonyl)amino-N-4benzylphenyl]-N-(4-benzylphen...","","C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NC3=NN(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)CC6=CC=CC=C6","BXXDEXOUBTUWQH-UHFFFAOYSA-N","25197380",NA,"PDBC21391","742805","Present"
-"3-[(Dimethylamino)methyl]-4,11-bis[2-(methylamino)ethylamino]-1H-naphtho[2,3-f]indole-5,10-dione","","","","","","","","","","","","","","","","","","","","4,11-bis{[2-(methylamino)ethyl]amino}-3-[(dimethylamino)...","","CNCCNC1=C2C(=C(C3=C1C(=CN3)CN(C)C)NCCNC)C(=O)C4=CC=CC=C4C2=O","RBPWHCJUAWCVHY-UHFFFAOYSA-N","24203005",NA,"PDBC21392","726447","Present"
-"3-[(Dimethylamino)methyl]-4,3-f]in dole-5,10-dione hydrochloride","","","","","","","","","","","","","","","","","","","","3-[(dimethylamino)methyl]-4,11-dihydroxy-1H-naphtho[2,3-...","","CN(C)CC1=CNC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O.Cl","MLTCXVZNLHVOFS-UHFFFAOYSA-N","135585398",NA,"PDBC21393","726439","Present"
-"3-[(E)-(1-Methyl-2-chloro-1H-indole-3-yl)methylene]-5-methoxy-1H-indole-2(3H)-one","","","","","","","","","","","","","","","","","","","","3-[(E)-(1-Methyl-2-chloro-1H-indole-3-yl)methylene]-5-methoxy-1H-indole-2(3H)-one","","CN1C2=CC=CC=C2C(=C1Cl)C=C3C4=C(C=CC(=C4)OC)NC3=O","WLSVBVPEQBSCTH-XNTDXEJSSA-N","10569058",NA,"PDBC21394","726903","Present"
-"3-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-1,1-dipropyl-thiourea","","","","","","","","","","","","","","","","","","","","3-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-1,1-dipropyl-thiourea","","CCCN(CCC)C(=S)NN=CC1=CC=CC(=N1)C","FRWBTUMOMNIVOB-RVDMUPIBSA-N","9554748",NA,"PDBC21395","667874","Present"
-"3-[(E)-1-(1H-Imidazol-2-yl)ethylideneamino]-1,1-dimethyl-thiourea","","","","","","","","","","","","","","","","","","","","3-[(E)-1-(1H-Imidazol-2-yl)ethylideneamino]-1,1-dimethyl-thiourea","","CC(=NNC(=S)N(C)C)C1=NC=CN1","YLUUOXNZRRRNMR-IZZDOVSWSA-N","135429908",NA,"PDBC21396","376268","Present"
-"3-[(E)-1-(2-Hydroxy-4-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea","","","","","","","","","","","","","","","","","","","","3-[(E)-1-(2-Hydroxy-4-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea","","CC(=NNC(=S)N(C)C)C1=C(C=C(C=C1)OC)O","CLWNQWBHUWAQFA-MDWZMJQESA-N","135493996",NA,"PDBC21397","689547","Present"
-"3-[(E)-1-(2-Hydroxy-5-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea","","","","","","","","","","","","","","","","","","","","3-[(E)-1-(2-Hydroxy-5-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea","","CC(=NNC(=S)N(C)C)C1=C(C=CC(=C1)OC)O","ATUBDQAUSKMLSV-MDWZMJQESA-N","135493994",NA,"PDBC21398","689545","Present"
-"3-[(E)-1-(3-1-[(4-Fluorophenyl)sulfonyl]-4-piperidylimidazo[1,5-a]pyridin-1-yl)methylidene]-2-indolinone","","","","","","","","","","","","","","","","","","","","3-[(E)-1-(3-1-[(4-fluorophenyl)sulfonyl]-4-piperidylimid...","","C1CN(CCC1C2=NC(=C3N2C=CC=C3)C=C4C5=CC=CC=C5NC4=O)S(=O)(=O)C6=CC=C(C=C6)F","OVIYRFOWXSDFTC-OQKWZONESA-N","54613720",NA,"PDBC21399","750970","Present"
-"3-[(E)-1-Hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-1,4-benzothiazin-2-one","","","","","","","","","","","","","","","","","","","","3-[(E)-1-Hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-1,4-benzothiazin-2-one","","C1=CC=C(C=C1)C(=C(C2=NC3=CC=CC=C3SC2=O)C(=O)C4=CC=CC=C4)O","JHTQCNXWBKYADQ-XUTLUUPISA-N","135505241",NA,"PDBC21400","707088","Present"
-"3-[(E)-1-Hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-4a,5,6,7,8,8a-hexahydro-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","3-[(E)-1-Hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-4a,5,6,7,8,8a-hexahydro-1H-quinoxalin-2-one","","C1CCC2C(C1)NC(=O)C(=N2)C(=C(C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4","GKCKJPWFKCYGPI-XUTLUUPISA-N","135436337",NA,"PDBC21401","720405","Present"
-"3-[(E)-10-[2,3-Bis[[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxy]propoxy]-10-oxodec-1-enyl]-6-butylcyclohex-4-ene-1,2-dicarboxylic acid;2-(hydroxymethylamino)ethanol","","","","","","","","","","","","","","","","","","","","3-[(E)-10-[2,3-Bis[[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxy]propoxy]-10-oxodec-1-enyl]-6-butylcyclohex-4-ene-1,2-dicarboxylic acid;2-(hydroxymethylamino)ethanol","","CCCCC=CC=CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CC1C=CC(C(C1C(=O)O)C(=O)O)CCCC)OC(=O)CCCCCCCC=CC=CC=CCCCC.C(CO)NCO","ZRNYCHOVVQRSAQ-CVTIAKRSSA-N","5351397",NA,"PDBC21402","643834","Present"
-"3-[(E)-2-(2-Hydroxynaphthalen-1-yl)ethenyl]-7-(3-nitrophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","","","","","","","","","","","","","","","","","","","3-[(E)-2-(2-Hydroxynaphthalen-1-yl)ethenyl]-7-(3-nitrophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","C1=CC=C2C(=C1)C=CC(=C2C=CC3=NN=C4N(C3=O)N=C(S4)C5=CC(=CC=C5)[N+](=O)[O-])O","URELOGFXMSCVTQ-MDZDMXLPSA-N","135415166",NA,"PDBC21403","710592","Present"
-"3-[(E)-2-Nitrovinyl]-1-[12-[3-[(E)-2-nitrovinyl]indol-1-yl]dodecyl]indole","","","","","","","","","","","","","","","","","","","","3-[(E)-2-Nitrovinyl]-1-[12-[3-[(E)-2-nitrovinyl]indol-1-yl]dodecyl]indole","","C1=CC=C2C(=C1)C(=CN2CCCCCCCCCCCCN3C=C(C4=CC=CC=C43)C=C[N+](=O)[O-])C=C[N+](=O)[O-]","BAZKSHGYXFPJBS-BLVCXSLXSA-N","5468323",NA,"PDBC21404","668604","Present"
-"3-[(E)-2-Nitrovinyl]-1-[5-[3-[(E)-2-nitrovinyl]indol-1-yl]pentyl]indole","","","","","","","","","","","","","","","","","","","","3-[(E)-2-Nitrovinyl]-1-[5-[3-[(E)-2-nitrovinyl]indol-1-yl]pentyl]indole","","C1=CC=C2C(=C1)C(=CN2CCCCCN3C=C(C4=CC=CC=C43)C=C[N+](=O)[O-])C=C[N+](=O)[O-]","RSEJSRZLMAOVDT-UNZYHPAISA-N","5468322",NA,"PDBC21405","668603","Present"
-"3-[(E)-2-Nitrovinyl]-1-[8-[3-[(E)-2-nitrovinyl]indol-1-yl]octyl]indole","","","","","","","","","","","","","","","","","","","","3-[(E)-2-Nitrovinyl]-1-[8-[3-[(E)-2-nitrovinyl]indol-1-yl]octyl]indole","","C1=CC=C2C(=C1)C(=CN2CCCCCCCCN3C=C(C4=CC=CC=C43)C=C[N+](=O)[O-])C=C[N+](=O)[O-]","AOHDCEYPGMZIKQ-MXWIWYRXSA-N","5468067",NA,"PDBC21406","663664","Present"
-"3-[(E)-2-Oxo-4-phenyl-but-3-enyl]-3H-isobenzofuran-1-one","","","","","","","","","","","","","","","","","","","","3-[(E)-2-Oxo-4-phenyl-but-3-enyl]-3H-isobenzofuran-1-one","","C1=CC=C(C=C1)C=CC(=O)CC2C3=CC=CC=C3C(=O)O2","GCADJBKSCWJYIR-ZHACJKMWSA-N","5912537",NA,"PDBC21407","642646","Present"
-"3-[(E)-2-Phenylethenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","3-[(E)-2-Phenylethenyl]benzoic acid","","C1=CC=C(C=C1)C=CC2=CC(=CC=C2)C(=O)O","RHKYEHRKNBWIDK-MDZDMXLPSA-N","5964452",NA,"PDBC21408","337827","Present"
-"3-[(E)-3-(2-Methoxyethoxymethoxy)oct-1-enyl]cyclopentanone","","","","","","","","","","","","","","","","","","","","3-[(E)-3-(2-Methoxyethoxymethoxy)oct-1-enyl]cyclopentanone","","CCCCCC(C=CC1CCC(=O)C1)OCOCCOC","VDBNQKHFGVJZKY-CSKARUKUSA-N","5469507",NA,"PDBC21409","689226","Present"
-"3-[(E)-3-(3,4-Diacetoxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","(E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 3-[(E)-3-(3,4-diacetoxy-phenyl)-acryloyloxy]-propyl ester","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OCCCOC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","WUMADTZQXQCLTE-QHKWOANTSA-N","5470290",NA,"PDBC21410","699165","Present"
-"3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","","C1=CC(=C(C=C1C=CC(=O)OCCCOC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","QUBPJJHCAOTXEB-KBXRYBNXSA-N","5470295",NA,"PDBC21411","699170","Present"
-"3-[(E)-3-(4-Chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one","","","","","","","","","","","","","","","","","","","","3-[(E)-3-(4-Chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one","","C1=CC=C2C(=C1)C=C(C(=O)N2)C=CC(=O)C3=CC=C(C=C3)Cl","XFEDKGSRDSZTRG-JXMROGBWSA-N","34903515",NA,"PDBC21412","752191","Present"
-"3-[(E)-3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one","","","","","","","","","","","","","","","","","","","","3-[(E)-3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one","","COC1=CC=C(C=C1)C(=O)C=CC2=CC3=CC=CC=C3NC2=O","WJDJGOPDWCIUCV-DHZHZOJOSA-N","34903560",NA,"PDBC21413","752192","Present"
-"3-[(E)-3-Phenylprop-2-enoyl]-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(E)-3-Phenylprop-2-enoyl]-1H-quinolin-4-one","","C1=CC=C(C=C1)C=CC(=O)C2=CNC3=CC=CC=C3C2=O","DCVGTFPDLUPFRQ-ZHACJKMWSA-N","5356645",NA,"PDBC21414","63998","Present"
-"3-[(E)-3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]prop-1-enyl]aniline;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","3-[(E)-3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]prop-1-enyl]aniline;(Z)-but-2-enedioic acid","","C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC=CC4=CC(=CC=C4)N.C(=CC(=O)O)C(=O)O","VMTWYUJIVNCPMU-AJOUBPDISA-N","54603736",NA,"PDBC21415","707828","Present"
-"3-[(E)-4-(1,3-Benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-pyrido[2,3-b]pyrazin-2-one","","","","","","","","","","","","","","","","","","","","3-[(E)-4-(1,3-Benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-pyrido[2,3-b]pyrazin-2-one","","C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC3=NC4=C(C=CC=N4)NC3=O","HROOUURCHFOUSE-HWKANZROSA-N","5471501",NA,"PDBC21416","711797","Present"
-"3-[(E)-4-(1,3-Benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","3-[(E)-4-(1,3-Benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-quinoxalin-2-one","","C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC3=NC4=CC=CC=C4NC3=O","IGIYSIDROLFIRI-FNORWQNLSA-N","5471500",NA,"PDBC21417","711796","Present"
-"3-[(E)-Carbazol-9-yliminomethyl]-4,5-dihydroxybenzaldehyde","","","","","","","","","","","","","","","","","","","","3-[(E)-Carbazol-9-yliminomethyl]-4,5-dihydroxybenzaldehyde","","C1=CC=C2C(=C1)C3=CC=CC=C3N2N=CC4=C(C(=CC(=C4)C=O)O)O","DQRJHMWQZDAXNI-SRZZPIQSSA-N","135436315",NA,"PDBC21418","718154","Present"
-"3-[(E)-Carbazol-9-yliminomethyl]-4-hydroxy-5-methoxybenzaldehyde","","","","","","","","","","","","","","","","","","","","3-[(E)-Carbazol-9-yliminomethyl]-4-hydroxy-5-methoxybenzaldehyde","","COC1=CC(=CC(=C1O)C=NN2C3=CC=CC=C3C4=CC=CC=C42)C=O","KIKPQMZIAKJFFJ-WSDLNYQXSA-N","135436314",NA,"PDBC21419","718153","Present"
-"3-[(E)-Hex-1-enyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline","","","","","","","","","","","","","","","","","","","","3-(1-Hexenyl)-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline","","CCCCC=CC1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C","LJHPNCDMTWAWSV-IZZDOVSWSA-N","5467212",NA,"PDBC21420","648557","Present"
-"3-[(E)-Hydroxyiminomethyl]-2,3-dihydrochromen-4-one","","","","","","","","","","","","","","","","","","","","3-[(E)-Hydroxyiminomethyl]-2,3-dihydrochromen-4-one","","C1C(C(=O)C2=CC=CC=C2O1)C=NO","PPZNTUXBLVDDKW-VZUCSPMQSA-N","9569785",NA,"PDBC21421","618064","Present"
-"3-[(E)-N-[(4-Amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)amino]-C-methylcarbonimidoyl]-4-hydroxy-6-methylpyran-2-one","","","","","","","","","","","","","","","","","","","","3-[(E)-N-[(4-Amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)amino]-C-methylcarbonimidoyl]-4-hydroxy-6-methylpyran-2-one","","CC1=CC(=C(C(=O)O1)C(=NNC2=NNC(=S)N2N)C)O","ANCIESRAROQVOH-LFYBBSHMSA-N","135455597",NA,"PDBC21422","618493","Present"
-"3-[(E)-[(3S,8R,10R,13S)-10,13-Dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino]oxypropanenitrile","","","","","","","","","","","","","","","","","","","","3-[(E)-[(3S,8R,10R,13S)-10,13-Dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino]oxypropanenitrile","","CC12CCC3C(C1CCC2=NOCCC#N)CC=C4C3(CCC(C4)OC5CCCCO5)C","WIZOEYDUOXKTRB-HRTJURLTSA-N","9569955",NA,"PDBC21423","629224","Present"
-"3-[(E)-[(4-Nitrophenyl)hydrazinylidene]methyl]-1H-benzo[g]quinoxaline-2,5,10-trione","","","","","","","","","","","","","","","","","","","","Benzo[g]quinoxaline-2-carboxaldehyde, 3,4,5,10-tetrahydr...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C(C(=O)N3)C=NNC4=CC=C(C=C4)[N+](=O)[O-]","GBSGQXXEUNAOIN-AWQFTUOYSA-N","135436193",NA,"PDBC21424","713198","Present"
-"3-[(E)-[(4Z,5Z)-3-Phenyl-4,5-bis(phenylimino)-2-thioxo-imidazolidin-1-yl]iminomethyl]chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[(E)-[(4Z,5Z)-3-Phenyl-4,5-bis(phenylimino)-2-thioxo-imidazolidin-1-yl]iminomethyl]chromen-2-one","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=S)N2C4=CC=CC=C4)N=CC5=CC6=CC=CC=C6OC5=O","FSDBHZYYZJONEK-PYTNSIDASA-N","9556177",NA,"PDBC21425","671408","Present"
-"3-[(E)-[[4-[(2E)-2-[(3-Hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol","","","","","","","","","","","","","","","","","","","","3-[(E)-[[4-[(2E)-2-[(3-Hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol","","C1=CC=C2C(=C1)C(=NN=C2NN=CC3=CC(=CC=C3)O)NN=CC4=CC(=CC=C4)O","GWXOMCKJFPEHFY-RNIAWFEPSA-N","9568401",NA,"PDBC21426","103832","Present"
-"3-[(E)-p-Tolylmethyleneamino]-1H-quinazoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-[(E)-p-Tolylmethyleneamino]-1H-quinazoline-2,4-dione","","CC1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O","JQEXXPUOZCCDLF-LICLKQGHSA-N","9556313",NA,"PDBC21427","691077","Present"
-"3-[(N,6-Dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","3-[(N,N-Dimethylamino)-1-propyl]-5,6-dihydro-2,3-dimetho...","","CN(C)CCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5","UYIMRGCQWUTROS-UHFFFAOYSA-N","11270518",NA,"PDBC21428","724058","Present"
-"3-[(Piperidin-1-yl)methyl]benzoic acid hydrochloride","","","","","","","","","","","","","","","","","","","","NSC19496","","C1CCN(CC1)CC2=CC(=CC=C2)C(=O)O.Cl","WLRKCNCUWGKDNO-UHFFFAOYSA-N","24229492",NA,"PDBC21429","19496","Present"
-"3-[(Quinuclidin-3-ylamino)methyl]-4,3-f]indole-5,10-dione dihydrochloride","","","","","","","","","","","","","","","","","","","","3-[(quinuclidin-3-ylamino)methyl]-4,11-dihydroxy-1H-naph...","","C1CN2CCC1C(C2)NCC3=CNC4=C3C(=O)C5=C(C6=CC=CC=C6C(=C5C4=O)O)O.Cl","OANUVULXNYOQFP-UHFFFAOYSA-N","135585403",NA,"PDBC21430","726446","Present"
-"3-[(S)-Hydroxy(phenyl)methyl]-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one","","","","","","","","","","","","","","","","","","","","3-[(S)-Hydroxy(phenyl)methyl]-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one","","C1CC2(N(C1=O)C(CO2)C(C3=CC=CC=C3)O)C4=CC=CC=C4","GTDYMQIQQZTEQW-AVAKVYKDSA-N","359368",NA,"PDBC21431","620179","Present"
-"3-[(Tert-Butyldimethylsilyl)oxy]-4-methoxybenzaldehyde","","","","","","","","","","","","","","","","","","","","RYTUEPCRTPXDLU-UHFFFAOYSA-N","","CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)C=O)OC","RYTUEPCRTPXDLU-UHFFFAOYSA-N","359558",NA,"PDBC21432","620549","Present"
-"3-[(Tert-Butyloxycarbonyl)amino]-7,9-dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione","","","","","","","","","","","","","","","","","","","","3-[(Tert-Butyloxycarbonyl)amino]-7,9-dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione","","CC(C)(C)OC(=O)NC1CC2(C=C(C(=O)C(=C2)Br)Br)OC1=O","HTXPBSNVLNKUBS-UHFFFAOYSA-N","397416",NA,"PDBC21433","705162","Present"
-"3-[(Trifluoromethylsulfonyl)thio]propionic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 3-{[(trifluoromethyl)sulfonyl]sulfanyl}propanoate","","CCOC(=O)CCSS(=O)(=O)C(F)(F)F","JAGZFIHHGJGTKQ-UHFFFAOYSA-N","396181",NA,"PDBC21434","701729","Present"
-"3-[(Z)-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-1-[2-[[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]carbamothioyl-methylamino]ethyl]-1-methylthiourea","","","","","","","","","","","","","","","","","","","","3-[(Z)-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-1-[2-[[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]carbamothioyl-methylamino]ethyl]-1-methylthiourea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)N(C)CCN(C)C(=S)NN=CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C","NVJNNGBKAQCYLF-CDSIFPFTSA-N","5859375",NA,"PDBC21435","701207","Present"
-"3-[(Z)-(3-Benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide","","","","","","","","","","","","","","","","","","","","3-[(Z)-(3-Benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide","","CC1=C(SC2=C1C(=O)N(C(=N2)C)N=C3N(C(=CS3)C4=CC=CC=C4)CC5=CC=CC=C5)C(=O)N","KZVARHNNGCOEGO-FVDSYPCUSA-N","45029420",NA,"PDBC21436","746754","Present"
-"3-[(Z)-1-Cyclopropylethylideneamino]oxypropanoic acid","","","","","","","","","","","","","","","","","","","","3-[(Z)-1-Cyclopropylethylideneamino]oxypropanoic acid","","CC(=NOCCC(=O)O)C1CC1","TVKWPRUURFJJGD-TWGQIWQCSA-N","5915546",NA,"PDBC21437","651220","Present"
-"3-[(Z)-1-Pyrazin-2-ylethylideneamino]-1,1-bis(2-pyridylmethyl)thiourea","","","","","","","","","","","","","","","","","","","","3-[(Z)-1-Pyrazin-2-ylethylideneamino]-1,1-bis(2-pyridylmethyl)thiourea","","CC(=NNC(=S)N(CC1=CC=CC=N1)CC2=CC=CC=N2)C3=NC=CN=C3","OHUPQINJOLRADC-IWIPYMOSSA-N","5889737",NA,"PDBC21438","689537","Present"
-"3-[(Z)-2-(3,4,5-Trimethoxyphenyl)ethenyl]pyridine","","","","","","","","","","","","","","","","","","","","(Z)3-[2[(3,4,5-Trimethoxyphenyl)ethenyl]pyridine","","COC1=CC(=CC(=C1OC)OC)C=CC2=CN=CC=C2","XTJNJMOYKKLUOV-SREVYHEPSA-N","5388742",NA,"PDBC21439","638393","Present"
-"3-[(Z)-3-(2-Carboxyethylsulfanyl)-1,3-bis(4-chlorophenyl)prop-2-enyl]sulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","3-[(Z)-3-(2-Carboxyethylsulfanyl)-1,3-bis(4-chlorophenyl)prop-2-enyl]sulfanylpropanoic acid","","C1=CC(=CC=C1C(C=C(C2=CC=C(C=C2)Cl)SCCC(=O)O)SCCC(=O)O)Cl","OJYDPBHWSAILKI-UYRXBGFRSA-N","5472290",NA,"PDBC21440","717772","Present"
-"3-[(Z)-4-Methoxybenzylidene]oxolane-2-one","","","","","","","","","","","","","","","","","","","","3-[(Z)-4-Methoxybenzylidene]oxolane-2-one","","COC1=CC=C(C=C1)C=C2CCOC2=O","MBSKMEQHKIKWQZ-NTMALXAHSA-N","762416",NA,"PDBC21441","10428","Present"
-"3-[(Z)-5-Bromo-3-(bromomethyl)pent-3-enyl]-2,2-dimethyloxirane","","","","","","","","","","","","","","","","","","","","3-[(Z)-5-Bromo-3-(bromomethyl)pent-3-enyl]-2,2-dimethyloxirane","","CC1(C(O1)CCC(=CCBr)CBr)C","PEOXLDQLIRPCLU-YVMONPNESA-N","5468471",NA,"PDBC21442","670794","Present"
-"3-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenol","","","","","","","","","","","","","","","","","","","","3-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenol","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC(=CC=C2)O)N","GDCWHEAGMPCDLI-UPHRSURJSA-N","45028776",NA,"PDBC21443","744164","Present"
-"3-[(Z)-[1-(3,4,5-Trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol...","","COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=C(NC4=CC=CC=C43)O)C=C5C2=NC6=CC=CC=C65","SKJVTFAYFPPFPN-ICFOKQHNSA-N","155808310",NA,"PDBC21444","761816","Present"
-"3-[(Z)-[1-(3,5-Dimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-5-methoxy-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-3-((1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-...","","COC1=CC2=C(C=C1)NC(=C2C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC(=CC(=C6)OC)OC)O","BSCZLQXCWOKETA-LGMDPLHJSA-N","155813091",NA,"PDBC21445","761832","Present"
-"3-[(Z)-[1-(4-Fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-5-methoxy-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-3-((1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl)me...","","COC1=CC2=C(C=C1)NC(=C2C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC=C(C=C6)F)O","MNCCKMQUTIOUPA-LGMDPLHJSA-N","155811201",NA,"PDBC21446","761822","Present"
-"3-[(Z)-[1-(4-Methoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-3-((1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl)m...","","COC1=CC=C(C=C1)C2=NC(=CC3=C(NC4=CC=CC=C43)O)C=C5C2=NC6=CC=CC=C65","PKODVOHQXXGHJV-ICFOKQHNSA-N","155810040",NA,"PDBC21447","761824","Present"
-"3-[(Z)-[1-[4-(Trifluoromethyl)phenyl]pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-3-((1-(4-(trifluoromethyl)phenyl)-9H-pyrido[3,4-b]in...","","C1=CC=C2C(=C1)C(=C(N2)O)C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC=C(C=C6)C(F)(F)F","XOWNYVGAKNFBTN-VKAVYKQESA-N","155808316",NA,"PDBC21448","761820","Present"
-"3-[(Z)-[2-(3,5-Difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-3-((2-(3,5-difluorophenyl)-3H-benzo[d]imidazol-5-yl)...","","C1=CC=C2C(=C1)C(=C(N2)O)C=C3C=CC4=NC(=NC4=C3)C5=CC(=CC(=C5)F)F","BINLOCIRCMPDJM-GHXNOFRVSA-N","155805116",NA,"PDBC21449","763618","Present"
-"3-[(Z)-[2-(4-Fluorophenyl)benzimidazol-5-ylidene]methyl]-5-methoxy-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-3-((2-(4-fluorophenyl)-3H-benzo[d]imidazol-5-yl)meth...","","COC1=CC2=C(C=C1)NC(=C2C=C3C=CC4=NC(=NC4=C3)C5=CC=C(C=C5)F)O","KVRYKUABQGZXSC-RAXLEYEMSA-N","155805099",NA,"PDBC21450","763617","Present"
-"3-[(Z)-[2-[4-(Trifluoromethyl)phenyl]benzimidazol-5-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-3-((2-(4-(trifluoromethyl)phenyl)-3H-benzo[d]imidazo...","","C1=CC=C2C(=C1)C(=C(N2)O)C=C3C=CC4=NC(=NC4=C3)C5=CC=C(C=C5)C(F)(F)F","JRIQRUWZYJIVOI-QBFSEMIESA-N","155814532",NA,"PDBC21451","763621","Present"
-"3-[(Z)-[5-Chloro-1-(morpholinomethyl)-2-oxo-indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(Z)-[5-Chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]-2-methylsulfanylquinazolin-4-one","","CSC1=NC2=CC=CC=C2C(=O)N1N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCOCC5","PGASGTXWCBXNQD-PLRJNAJWSA-N","9572279",NA,"PDBC21452","710110","Present"
-"3-[(Z)-[5-Chloro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[(Z)-[5-Chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-2-methylsulfanylquinazolin-4-one","","CSC1=NC2=CC=CC=C2C(=O)N1N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCCCC5","IZSYFVAQBLEMGR-QOMWVZHYSA-N","9572278",NA,"PDBC21453","710109","Present"
-"3-[(p-Methoxyphenyl)-thiosemicarbazono]-2-indolinone","","","","","","","","","","","","","","","","","","","","3-[(p-Methoxyphenyl)-thiosemicarbazono]-2-indolinone","","COC1=CC=C(C=C1)NC(=S)N=NC2=C(NC3=CC=CC=C32)O","RRCQAXBOKBNIDS-UHFFFAOYSA-N","947057",NA,"PDBC21454","73306","Present"
-"3-[1,2-Bis(4-methoxyphenyl)-2-oxo-ethyl]-3-hydroxy-5-nitro-indolin-2-one","","","","","","","","","","","","","","","","","","","","3-[1,2-Bis(4-methoxyphenyl)-2-oxo-ethyl]-3-hydroxy-5-nitro-indolin-2-one","","COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O","DQILQAFCZDCXKQ-UHFFFAOYSA-N","366650",NA,"PDBC21455","635325","Present"
-"3-[1,2-Bis(4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-[1,2-Bis(4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one","","COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C3(C4=CC=CC=C4NC3=O)O","GCTODLXJJIVTIV-UHFFFAOYSA-N","359719",NA,"PDBC21456","621164","Present"
-"3-[1,3-Bis(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[1,3-Bis(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one","","COC1=C(C=C(C=C1)C(CC(=O)C2=CC(=C(C=C2)OC)OC)C3=C(C4=CC=CC=C4OC3=O)O)OC","WYNPOGCJWWRIPU-UHFFFAOYSA-N","54680477",NA,"PDBC21457","208767","Present"
-"3-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl-N-(4-chlorophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl-N-(4-chlorophenyl)propanamide","","C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)SCCC(=O)NC3=CC=C(C=C3)Cl)Cl","ZBCUECKEOGVDSP-UHFFFAOYSA-N","403132",NA,"PDBC21458","717769","Present"
-"3-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanylpropanamide","","","","","","","","","","","","","","","","","","","","3-{[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl}propanamide","","C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)SCCC(=O)N)Cl","QKWABMPJCWMHRK-UHFFFAOYSA-N","403131",NA,"PDBC21459","717768","Present"
-"3-[1,3-Bis(naphthalen-2-ylmethyl)benzimidazol-3-ium-2-yl]propan-1-ol","","","","","","","","","","","","","","","","","","","","2-(3-hydroxypropyl)-1,3-bis(naphthalen-2-ylmethyl)benzim...","","C1=CC=C2C=C(C=CC2=C1)CN3C4=CC=CC=C4[N+](=C3CCCO)CC5=CC6=CC=CC=C6C=C5","FCDCTEIUYSGPEH-UHFFFAOYSA-N","134151781",NA,"PDBC21460","790462","Present"
-"3-[1,4-Dihydroxy-3-(4-hydroxy-6-methyl-1-oxo-2H-isoquinolin-3-yl)naphthalen-2-yl]-6-methylisoquinoline-1,4-dione","","","","","","","","","","","","","","","","","","","","2,3-bis(1,4-dihydroxy-6-methylisoquinolin-3-yl)naphthale...","","CC1=CC2=C(C=C1)C(=O)NC(=C2O)C3=C(C4=CC=CC=C4C(=C3C5=NC(=O)C6=C(C5=O)C=C(C=C6)C)O)O","NUARPWLRPJRQDD-UHFFFAOYSA-N","155812513",NA,"PDBC21461","797538","Present"
-"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-phenylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-phenylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6","ATBZTJLBWDORJQ-BUHFOSPRSA-N","5470706",NA,"PDBC21462","704634","Present"
-"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-thiophen-2-ylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-thiophen-2-ylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CS6","AWPPQDWOZLAEGU-ZHACJKMWSA-N","5470712",NA,"PDBC21463","704640","Present"
-"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6Cl","YHXJVMSHLXOLLX-OUKQBFOZSA-N","5470711",NA,"PDBC21464","704639","Present"
-"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-hydroxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-hydroxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6O","FVDDWMROGCYDMW-OUKQBFOZSA-N","135505201",NA,"PDBC21465","704635","Present"
-"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","COC1=CC=CC=C1C=CC2=NN(C3(C2)C(C(=O)N3C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)S(=O)(=O)O","CXIMSPYJZINYEJ-BUHFOSPRSA-N","5470710",NA,"PDBC21466","704638","Present"
-"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","COC1=C(C=CC(=C1)C=CC2=NN(C3(C2)C(C(=O)N3C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)S(=O)(=O)O)O","OOARVPSBWMYCHB-PKNBQFBNSA-N","135505202",NA,"PDBC21467","704636","Present"
-"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","CCN(CC)C1=CC=C(C=C1)C=CC2=NN(C3(C2)C(C(=O)N3C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)S(=O)(=O)O","GJRHITRDRUDSJP-NTCAYCPXSA-N","5470709",NA,"PDBC21468","704637","Present"
-"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O","ZJNZSDXKKPDZMW-UHFFFAOYSA-N","397240",NA,"PDBC21469","704657","Present"
-"3-[1-(3,4-Dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine","","","","","","","","","","","","","","","","","","","","3-(1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-6...","","CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C3=NN=C4N3CCCCC4","XPTYTHZOTIZQJV-UHFFFAOYSA-N","71307857",NA,"PDBC21470","767063","Present"
-"3-[1-(3,4-Dimethoxyphenyl)-3-oxo-butyl]-4-hydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[1-(3,4-Dimethoxyphenyl)-3-oxo-butyl]-4-hydroxy-chromen-2-one","","CC(=O)CC(C1=CC(=C(C=C1)OC)OC)C2=C(C3=CC=CC=C3OC2=O)O","AAMIVUBVHCMYOS-UHFFFAOYSA-N","54680481",NA,"PDBC21471","219891","Present"
-"3-[1-(4-Chloro-2-nitro-phenyl)pyrrol-2-yl]-4-methyl-1H-pyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[1-(4-Chloro-2-nitro-phenyl)pyrrol-2-yl]-4-methyl-1H-pyrrole-2-carboxylic acid","","CC1=CNC(=C1C2=CC=CN2C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)O","PEILFELNUZCKAY-UHFFFAOYSA-N","390186",NA,"PDBC21472","687347","Present"
-"3-[1-(4-Chloro-5-methyl-2-propylsulfanylphenyl)sulfonylimidazol-2-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","3-[1-(4-Chloro-5-methyl-2-propylsulfanylphenyl)sulfonylimidazol-2-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride","","CCCSC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)N2C=CN=C2OCCCN(C)C.Cl","VSXWTIGDKZZZAG-UHFFFAOYSA-N","387408",NA,"PDBC21473","681158","Present"
-"3-[1-(4-Chloro-phenyl)-2-nitro-ethyl]-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one","","","","","","","","","","","","","","","","","","","","3-[1-(4-Chloro-phenyl)-2-nitro-ethyl]-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one","","C1C(C2C(O1)(C(C(=O)O2)(C(C[N+](=O)[O-])C3=CC=C(C=C3)Cl)O)O)O","QMKFYBFLRUQGKY-UHFFFAOYSA-N","375573",NA,"PDBC21474","655360","Present"
-"3-[1-(4-Chloroanilino)ethylidene]dihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","2(3H)-Furanone, dihydro-3-[1-[(4-chlorophenyl)amino] eth...","","CC(=C1CCOC1=O)NC2=CC=C(C=C2)Cl","LMTZKNFOUSGOPO-DHZHZOJOSA-N","820318",NA,"PDBC21475","680781","Present"
-"3-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-1-[(4-methylphenyl)sulfonyl]-4(1H)-quinolinone","","","","","","","","","","","","","","","","","","","","3-[1-(4-Chloro-phenyl)-1H-tetrazol-5-yl]-1-(toluene-4-su...","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)C3=CC=CC=C32)C4=NN=NN4C5=CC=C(C=C5)Cl","YUOGBFSACXTTQC-UHFFFAOYSA-N","1210235",NA,"PDBC21476","735172","Present"
-"3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione","","C1=CC(=CC=C1N2C(=NNC2=S)C3=NN(C=C3O)C4=CC=C(C=C4)Cl)F","CTKFLBHGJICZDI-UHFFFAOYSA-N","3006483",NA,"PDBC21477","725025","Present"
-"3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione","","C1CCC(CC1)N2C(=NNC2=S)C3=NN(C=C3O)C4=CC=C(C=C4)Cl","FXJLBRYUEUROOC-UHFFFAOYSA-N","3006484",NA,"PDBC21478","725024","Present"
-"3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione","","C1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C=C3O)C4=CC=C(C=C4)Cl","CEINKXAFWDLUCW-UHFFFAOYSA-N","3006482",NA,"PDBC21479","724040","Present"
-"3-[1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)ethoxy]-N,N-dimethylpropan-1-amine","","","","","","","","","","","","","","","","","","","","3-[1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)ethoxy]-N,N-dimethylpropan-1-amine","","CCCCCCCCCCOC1C2C(OC1C(C)OCCCN(C)C)OC3(O2)CCCCC3","TWXQPKNAFFNJQA-UHFFFAOYSA-N","380659",NA,"PDBC21480","666347","Present"
-"3-[1-(Dimethylcarbamoylamino)ethyl]-1,1-dimethyl-urea","","","","","","","","","","","","","","","","","","","","3-[1-(Dimethylcarbamoylamino)ethyl]-1,1-dimethyl-urea","","CC(NC(=O)N(C)C)NC(=O)N(C)C","QBZCYTODRQVAFO-UHFFFAOYSA-N","377600",NA,"PDBC21481","659175","Present"
-"3-[1-Hydroxy-2-[hydroxy(pyridin-4-yl)methyl]-2,3-dihydroinden-1-yl]-2-(pyridine-4-carbonyl)-2,3-dihydroinden-1-one","","","","","","","","","","","","","","","","","","","","3-[1-Hydroxy-2-[hydroxy(pyridin-4-yl)methyl]-2,3-dihydroinden-1-yl]-2-(pyridine-4-carbonyl)-2,3-dihydroinden-1-one","","C1C(C(C2=CC=CC=C21)(C3C(C(=O)C4=CC=CC=C34)C(=O)C5=CC=NC=C5)O)C(C6=CC=NC=C6)O","DPCWJOJSRMXKQG-UHFFFAOYSA-N","400516",NA,"PDBC21482","712420","Present"
-"3-[1-Hydroxy-2-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroinden-1-yl]-2-(3,4,5-trimethoxybenzoyl)-2,3-dihydroinden-1-one","","","","","","","","","","","","","","","","","","","","3-[1-Hydroxy-2-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroinden-1-yl]-2-(3,4,5-trimethoxybenzoyl)-2,3-dihydroinden-1-one","","COC1=CC(=CC(=C1OC)OC)C(C2CC3=CC=CC=C3C2(C4C(C(=O)C5=CC=CC=C45)C(=O)C6=CC(=C(C(=C6)OC)OC)OC)O)O","FGYUHJQJARLYJJ-UHFFFAOYSA-N","400515",NA,"PDBC21483","712419","Present"
-"3-[1-[(2,4-Dichlorophenyl)amino]ethylidene]dihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","3-[1-[(2,4-Dichlorophenyl)amino]ethylidene]dihydro-2(3H)-furanone","","CC(=C1CCOC1=O)NC2=C(C=C(C=C2)Cl)Cl","MXIUMRSQRMEWCW-VQHVLOKHSA-N","5468991",NA,"PDBC21484","680783","Present"
-"3-[1-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanyl]-2-methyl-propyl]-4-phenyl-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-[1-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanyl]-2-methyl-propyl]-4-phenyl-1H-1,2,4-triazole-5-thione","","CC(C)C(C1=NNC(=S)N1C2=CC=CC=C2)SC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5","RDHPZJKDACQRHG-UHFFFAOYSA-N","3004408",NA,"PDBC21485","650820","Present"
-"3-[10-(3-Cyanophenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]benzonitrile","","","","","","","","","","","","","","","","","","","","4,8-Ethenobenzo[1,2-c:4,5-c']dipyrrole-1,3,5,7-tetrone, ...","","C1=CC(=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)C6=CC=CC(=C6)C#N)C#N","GZQWFNJRACDGTN-UHFFFAOYSA-N","365552",NA,"PDBC21486","633258","Present"
-"3-[18-[3-(Diethylamino)-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N,N-diethylpropanamide","","","","","","","","","","","","","","","","","","","","3-[18-[3-(Diethylamino)-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N,N-diethylpropanamide","","CCN(CC)C(=O)CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C)CCC(=O)N(CC)CC)N4)C=C)C)C=C)C)C","YJZALEOHGPXZIN-UHFFFAOYSA-N","359506",NA,"PDBC21487","620487","Present"
-"3-[2,4-Bis(sulfanylidene)-1,3-thiazolidin-3-yl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-(2,4-Dithioxo-1,3-thiazolidin-3-yl)propanoic acid","","C1C(=S)N(C(=S)S1)CCC(=O)O","ROONOSCQTGQBKL-UHFFFAOYSA-N","328964",NA,"PDBC21488","309939","Present"
-"3-[2,5-Dioxo-1-(p-tolyl)pyrrol-3-yl]-4-hydroxy-1-(p-tolyl)pyrrole-2,5-dione","","","","","","","","","","","","","","","","","","","","3-[2,5-Dioxo-1-(p-tolyl)pyrrol-3-yl]-4-hydroxy-1-(p-tolyl)pyrrole-2,5-dione","","CC1=CC=C(C=C1)N2C(=O)C=C(C2=O)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)C)O","VPWKCAQEGZVQHB-UHFFFAOYSA-N","54693746",NA,"PDBC21489","658410","Present"
-"3-[2-(1-Methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine","","","","","","","","","","","","","","","","","","","","3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl...","","CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CN(C5=C4C=CC=N5)C","HGOVNBKJYVOYMN-UHFFFAOYSA-N","60147980",NA,"PDBC21490","753377","Present"
-"3-[2-(1H-Indol-3-yl)-2-oxoethyl]-1H-pyrido[2,3-b]pyrazin-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(1h-Indol-3-yl)-2-oxoethyl]pyrido[2,3-b]pyrazin-2(1h)-one","","C1=CC=C2C(=C1)C(=CN2)C(=O)CC3=NC4=C(C=CC=N4)NC3=O","CNRXBBCHWWSSKV-UHFFFAOYSA-N","400270",NA,"PDBC21491","711803","Present"
-"3-[2-(1H-Indol-3-yl)-2-oxoethyl]-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(1h-Indol-3-yl)-2-oxoethyl]quinoxalin-2(1h)-one","","C1=CC=C2C(=C1)C(=CN2)C(=O)CC3=NC4=CC=CC=C4NC3=O","CCHNHZBCDADIRM-UHFFFAOYSA-N","400273",NA,"PDBC21492","711806","Present"
-"3-[2-(1H-Indol-3-yl)-5-methylpyrimidin-4-yl]-1H-indole","","","","","","","","","","","","","","","","","","","","3-[2-(1H-Indol-3-yl)-5-methylpyrimidin-4-yl]-1H-indole","","CC1=CN=C(N=C1C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","DHGJGPCKVFRWBR-UHFFFAOYSA-N","400430",NA,"PDBC21493","712009","Present"
-"3-[2-(1H-Indol-3-yl)-6-methoxypyrimidin-4-yl]-1H-indole","","","","","","","","","","","","","","","","","","","","3-[2-(1H-Indol-3-yl)-6-methoxypyrimidin-4-yl]-1H-indole","","COC1=NC(=NC(=C1)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","ATNGOLPXLVFEIW-UHFFFAOYSA-N","400428",NA,"PDBC21494","712007","Present"
-"3-[2-(1H-Indol-3-yl)pyrimidin-4-yl]-1H-indole","","","","","","","","","","","","","","","","","","","","3-[2-(1H-Indol-3-yl)pyrimidin-4-yl]-1H-indole","","C1=CC=C2C(=C1)C(=CN2)C3=NC(=NC=C3)C4=CNC5=CC=CC=C54","CTQUYZZQMOWNFM-UHFFFAOYSA-N","400432",NA,"PDBC21495","712011","Present"
-"3-[2-(2,4-Dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(2,4-Dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one","","C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=C(C=C(C=C3)O)O)O","IHONRQMKOPLXKS-UHFFFAOYSA-N","359732",NA,"PDBC21496","621178","Present"
-"3-[2-(2,4-Dimethylphenyl)-2-oxoethylidene]-4H-benzo[e]1,4-thiazin-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(2,4-Dimethylphenyl)-2-oxoethylidene]-4H-benzo[e]1,4-thiazin-2-one","","CC1=CC(=C(C=C1)C(=CC2=NC3=CC=CC=C3SC2=O)O)C","WIDVVBMVSCUTAV-YBEGLDIGSA-N","135426822",NA,"PDBC21497","720442","Present"
-"3-[2-(2,4-Dinitrophenyl)hydrazinyl]indol-2-one","","","","","","","","","","","","","","","","","","","","NSC4810","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","PLKSEHVSFQIVNZ-UHFFFAOYSA-N","3802861",NA,"PDBC21498","4810","Present"
-"3-[2-(2-Chloro-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid","","","","","","","","","","","","","","","","","","","","3-[2-(2-Chloro-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid","","C1C(=O)N(C(S1)C2=CC=CC=C2Cl)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O","QSWJGZBNYAJQNF-UHFFFAOYSA-N","380745",NA,"PDBC21499","666452","Present"
-"3-[2-(2-Methylphenyl)hydrazinyl]indol-2-one","","","","","","","","","","","","","","","","","","","","AE-848/32614027","","CC1=CC=CC=C1N=NC2=C(NC3=CC=CC=C32)O","UBUKNDAQRIEDKX-UHFFFAOYSA-N","272588",NA,"PDBC21500","117191","Present"
-"3-[2-(2-Nitrophenyl)hydrazinyl]-4-(trifluoromethyl)indol-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(2-Nitrophenyl)hydrazinyl]-4-(trifluoromethyl)indol-2-one","","C1=CC=C(C(=C1)N=NC2=C(NC3=CC=CC(=C32)C(F)(F)F)O)[N+](=O)[O-]","VDAXEPVFTJDWTH-UHFFFAOYSA-N","3347168",NA,"PDBC21501","117196","Present"
-"3-[2-(2-Nitrophenyl)hydrazinyl]indol-2-one","","","","","","","","","","","","","","","","","","","","indole-2,3-dione, 3-[(o-nitrophenyl)hydrazone]","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=C3[N+](=O)[O-]","OTGYLXGBYVPFPM-UHFFFAOYSA-N","3734796",NA,"PDBC21502","111581","Present"
-"3-[2-(2-Oxo-2,9-dihydronaphtho [2,3-b]furan-4,9-dione","","","","","","","","","","","","","","","","","","","","3-[ 2-(2-oxo-2,3 - dihydro-1H-3-indolyliden)acetyl]-4,9-...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC=C3C(=O)C=C4C5=CC=CC=C5NC4=O","QWHQHNJYMJVZCQ-ZROIWOOFSA-N","45028342",NA,"PDBC21503","742260","Present"
-"3-[2-(3,4,5-Trimethoxyphenyl)ethyl]pyridine","","","","","","","","","","","","","","","","","","","","3-[2-(3,4,5-Trimethoxyphenyl)ethyl]pyridine","","COC1=CC(=CC(=C1OC)OC)CCC2=CN=CC=C2","PGWCTXIOXNEIGU-UHFFFAOYSA-N","368070",NA,"PDBC21504","638398","Present"
-"3-[2-(3,4-Dichlorophenyl)ethyl-(2-pyrrolidin-1-ylethyl)amino]propan-1-ol;hydrobromide","","","","","","","","","","","","","","","","","","","","3-[2-(3,4-Dichlorophenyl)ethyl-(2-pyrrolidin-1-ylethyl)amino]propan-1-ol hydrobromide","","C1CCN(C1)CCN(CCCO)CCC2=CC(=C(C=C2)Cl)Cl.Br","SZIQBBQKSDVOCH-UHFFFAOYSA-N","398836",NA,"PDBC21505","708976","Present"
-"3-[2-(3,4-Dihydroxyphenyl)-3-(hydroxymethyl)-7-hydroxy-2,3-dihydrobenzofuran-5-yl]-1-propanol","","","","","","","","","","","","","","","","","","","","4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol","","C1=CC(=C(C=C1C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O)O","MMWDINBTQPXVFL-UHFFFAOYSA-N","384752",NA,"PDBC21506","675005","Present"
-"3-[2-(3,4-Dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]-1-propanol","","","","","","","","","","","","","","","","","","","","NSC674909///NSC674910","","COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)OC)CO)OC","UVPCDEDIFJYIPT-UHFFFAOYSA-N","4639677",NA,"PDBC21507","674909///674910","Present"
-"3-[2-(3,4-Dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one;iodide","","","","","","","","","","","","","","","","","","","","3-[2-(3,4-Dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one;iodide","","CC1=CC(=O)OC2=C1C=C3C[N+](COC3=C2)(C)CCC4=CC(=C(C=C4)OC)OC.[I-]","SIYVYRJKIPKXOS-UHFFFAOYSA-M","5351838",NA,"PDBC21508","59275","Present"
-"3-[2-(3,5-Dichloroanilino)-1,3-thiazol-4-yl]chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[2-[(3,5-Dichlorophenyl)amino]thiazol-4-yl]chromen-2-one","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC(=CC(=C4)Cl)Cl","RHNYEXMYEIYNIC-UHFFFAOYSA-N","395985",NA,"PDBC21509","701109","Present"
-"3-[2-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-[2-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","C1=CC=C(C(=C1)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-])C4=[N+](C5=CC=CC=C5[N+](=C4N)[O-])[O-]","POXVBMPUZMASMV-UHFFFAOYSA-N","135496475",NA,"PDBC21510","621727","Present"
-"3-[2-(3-Carboxy-2-nitro-phenoxy)ethoxy]-2-nitro-benzoic acid","","","","","","","","","","","","","","","","","","","","3-[2-(3-Carboxy-2-nitro-phenoxy)ethoxy]-2-nitro-benzoic acid","","C1=CC(=C(C(=C1)OCCOC2=CC=CC(=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)O","QCSFGGAFPLSXQV-UHFFFAOYSA-N","394574",NA,"PDBC21511","698143","Present"
-"3-[2-(3-Methylsulfonyloxypropylsulfanyl)ethylsulfanyl]propyl methanesulfonate","","","","","","","","","","","","","","","","","","","","12,12-Dioxido-11-oxa-4,7,12-trithiatridec-1-yl methanesulfonate","","CS(=O)(=O)OCCCSCCSCCCOS(=O)(=O)C","JVFIUTHCNATAQW-UHFFFAOYSA-N","373736",NA,"PDBC21512","650635","Present"
-"3-[2-(4-Amino-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid","","","","","","","","","","","","","","","","","","","","3-[2-(4-Amino-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid","","C1C(=O)N(C(S1)C2=CC=C(C=C2)N)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O","BTMWZWARGYILJN-UHFFFAOYSA-N","380744",NA,"PDBC21513","666451","Present"
-"3-[2-(4-Aminophenyl)-2-oxo-ethyl]-5,7-dichloro-3-hydroxy-indolin-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(4-Aminophenyl)-2-oxoethyl]-5,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one","","C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)N","ZIRWQNRDRRETNY-UHFFFAOYSA-N","366694",NA,"PDBC21514","635411","Present"
-"3-[2-(4-Bromophenyl)-2-oxo-ethyl]-3-hydroxy-5-nitro-indolin-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(4-Bromophenyl)-2-oxoethyl]-3-hydroxy-5-nitro-1,3-dihydro-2H-indol-2-one","","C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O)Br","HOZIDHOMYAEFBN-UHFFFAOYSA-N","366686",NA,"PDBC21515","635403","Present"
-"3-[2-(4-Bromophenyl)-2-oxoethyl]-1,5,6,7,8,4a,8a-heptahydroquinoxalin-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(4-Bromophenyl)-2-oxoethyl]-1,5,6,7,8,4a,8a-heptahydroquinoxalin-2-one","","C1CCC2C(C1)NC(=O)C(=N2)CC(=O)C3=CC=C(C=C3)Br","YQAICNWNBGLRNI-UHFFFAOYSA-N","404247",NA,"PDBC21516","720425","Present"
-"3-[2-(4-Chlorophenyl)-2-oxoethylidene]-7-nitro-1,4-dihydroquinoxalin-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(4-Chlorophenyl)-2-oxoethylidene]-7-nitro-1,4-dihydroquinoxalin-2-one","","C1=CC(=CC=C1C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)Cl","YJQFRODPDALCGH-NVNXTCNLSA-N","135403091",NA,"PDBC21517","686136","Present"
-"3-[2-(4-Methoxyphenyl)ethyl]-1-methylquinazoline-2,4-dione","","","","","","","","","","","","","","","","","","","","3-(2-(4-Methoxyphenyl)ethyl)-1-methyl-2,4(1H,3H)-quinazolinedione","","CN1C2=CC=CC=C2C(=O)N(C1=O)CCC3=CC=C(C=C3)OC","GXEHMSZCMANLPC-UHFFFAOYSA-N","371226",NA,"PDBC21518","645283","Present"
-"3-[2-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[2-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=CC=C2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=CC=C7","JKXMUKJJIIIQFT-UHFFFAOYSA-N","398508",NA,"PDBC21519","708419","Present"
-"3-[2-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-thiophen-2-yl-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[2-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-thiophen-2-yl-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=CS2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=CS7","MNZHIBLCDZOYRG-UHFFFAOYSA-N","398509",NA,"PDBC21520","708420","Present"
-"3-[2-(5-Bromo-1H-indol-3-yl)ethyl]-4-(3-propan-2-yloxyphenyl)pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","3-[2-(5-Bromo-1H-indol-3-yl)ethyl]-4-(3-propan-2-yloxyphenyl)pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide","","CC(C)OC1=CC=CC(=C1)N2C3=C(C=NC=C3)S(=O)(=O)N=C2CCC4=CNC5=C4C=C(C=C5)Br","XPLUFIRYEKVUHV-UHFFFAOYSA-N","401326",NA,"PDBC21521","714636","Present"
-"3-[2-(5-Chloro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine","","","","","","","","","","","","","","","","","","","","3-[2-(5-chloro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]...","","CN1C=C(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C4=CNC5=C4C=CC=N5","VBVHYCGEMNPAHV-UHFFFAOYSA-N","60147969",NA,"PDBC21522","753366","Present"
-"3-[2-(5-Chloro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine","","","","","","","","","","","","","","","","","","","","3-[2-(5-chloro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrro...","","C1=CC2=C(NC=C2C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Cl)N=C1","YPGAKBKIFKBXHS-UHFFFAOYSA-N","136040140",NA,"PDBC21523","753368","Present"
-"3-[2-(5-Methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine","","","","","","","","","","","","","","","","","","","","3-[2-(5-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrro...","","CC1=CC2=C(C=C1)NC=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5","IDHALOVERFPNFI-UHFFFAOYSA-N","136040147",NA,"PDBC21524","753389","Present"
-"3-[2-(5-Phenyl-1,4-oxadiazol-2-yl)imino-4-thiazolidinone-5-ilydene]-1-methyl-indole-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)imino-4-thiazolidino...","","CN1C2=CC=CC=C2C(=C3C(=O)NC(=NC4=NN=C(O4)C5=CC=CC=C5)S3)C1=O","SRZRFTUDMHONEM-PFONDFGASA-N","135585542",NA,"PDBC21525","732381","Present"
-"3-[2-(5-Thioxo-1,4-dihydro-1,2,4-triazol-3-yl)-4-pyridyl]-1,4-dihydro-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","3-[2-(5-Thioxo-1,4-dihydro-1,2,4-triazol-3-yl)-4-pyridyl]-1,4-dihydro-1,2,4-triazole-5-thione","","C1=CN=C(C=C1C2=NC(=S)NN2)C3=NC(=S)NN3","KCZGQDOTHHKSOW-UHFFFAOYSA-N","3000660",NA,"PDBC21526","634495","Present"
-"3-[2-(Benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine","","","","","","","","","","","","","","","","","","","","3-[2-(Benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine","","CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CN3N=C4C=CC=CC4=N3","DAHFALSQXWKKCL-UHFFFAOYSA-N","397760",NA,"PDBC21527","706182","Present"
-"3-[2-(Cyanoamino)-6-(2-methylpropyl)-5H-pyrimidin-1-ium-4-yl]-N-(2-nitrophenyl)propanamide","","","","","","","","","","","","","","","","","","","","3-[2-(Cyanoamino)-6-(2-methylpropyl)-5H-pyrimidin-1-ium-4-yl]-N-(2-nitrophenyl)propanamide","","CC(C)CC1=[N+]=C(N=C(C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])NC#N","BXLJXQPFODTGJB-UHFFFAOYSA-O","494736",NA,"PDBC21528","630298","Present"
-"3-[2-(Dimethylamino)ethyl]-2-methylbenzo[f]benzimidazole-4,9-dione","","","","","","","","","","","","","","","","","","","","1-[2-(Dimethylamino)ethyl]-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione","","CC1=NC2=C(N1CCN(C)C)C(=O)C3=CC=CC=C3C2=O","ODKAVAWAZBASLO-UHFFFAOYSA-N","374271",NA,"PDBC21529","651772","Present"
-"3-[2-(Dimethylamino)propyl]-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","3-[2-(Dimethylamino)propyl]-1,3-benzoxazol-2-one","","CC(CN1C2=CC=CC=C2OC1=O)N(C)C","OIULJRMKDMLGCS-UHFFFAOYSA-N","391462",NA,"PDBC21530","690667","Present"
-"3-[2-(Phenylethynyl)phenyl]-2-propyne-1-ol","","","","","","","","","","","","","","","","","","","","3-[2-(Phenylethynyl)phenyl]-2-propyne-1-ol","","C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CCO","NTKGZWHBHPSDFW-UHFFFAOYSA-N","11436199",NA,"PDBC21531","727279","Present"
-"3-[2-Benzyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine","","","","","","","","","","","","","","","","","","","","3-[2-Benzyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine","","CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CC3=CC=CC=C3","HENOLDQCBALMOQ-UHFFFAOYSA-N","397755",NA,"PDBC21532","706177","Present"
-"3-[2-Chloro-4-(4-chlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid","","","","","","","","","","","","","","","","","","","","3-[2-Chloro-4-(4-chlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid","","C1=CC(=CC=C1OCC2=NC3=C(C=C(C=C3)S(=O)(=O)O)C(=O)N2C4=C(C=C(C=C4)OC5=CC=C(C=C5)Cl)Cl)OC6=C(C=C(C=C6)Cl)Cl","ZHSJFIJTAOJLDZ-UHFFFAOYSA-N","403482",NA,"PDBC21533","718383","Present"
-"3-[2-Hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-yl]-acrylic acid hexyl ester","","","","","","","","","","","","","","","","","","","","Hexyl (E)-3-[(2S,4Z)-2-(hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]prop-2-enoate","","CCCCCCOC(=O)C=CC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO","ZCHNHMBJTXBRMA-QQKDIBHJSA-N","5471817",NA,"PDBC21534","714070","Present"
-"3-[2-Oxo-2-(2-oxo-cyclohexyl)-ethyl]-pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","3-[2-Oxo-2-(2-oxo-cyclohexyl)-ethyl]-pyrrolidine-2,5-dione","","C1CCC(=O)C(C1)C(=O)CC2CC(=O)NC2=O","ZJDBFZOBSJODLA-UHFFFAOYSA-N","359835",NA,"PDBC21535","621402","Present"
-"3-[2-Phenyl-6-(3,4,5-trimethoxyphenyl)pyridin-4-yl]-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","3-(2-phenyl-6-(3,4,5-trimethoxyphenyl)pyridin-4-yl)-1-(3...","","COC1=CC(=CC(=C1OC)OC)C2=CC(=CC(=N2)C3=CC=CC=C3)C4=NC(=C5C(=C4)C6=CC=CC=C6N5)C7=CC(=C(C(=C7)OC)OC)OC","WSRLQAJNEDGIEU-UHFFFAOYSA-N","155811216",NA,"PDBC21536","765797","Present"
-"3-[2-[(3E)-3-Ethylidene-5-methoxy-2,6-dihydropyridin-1-yl]ethyl]-1H-indole","","","","","","","","","","","","","","","","","","","","3-[2-[(3E)-3-Ethylidene-5-methoxy-2,6-dihydropyridin-1-yl]ethyl]-1H-indole","","CC=C1CN(CC(=C1)OC)CCC2=CNC3=CC=CC=C32","JDKRTNPJAGESMP-LZWSPWQCSA-N","5467027",NA,"PDBC21537","646967","Present"
-"3-[2-[(4-Chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine","","","","","","","","","","","","","","","","","","","","3-[2-[(4-Chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine","","CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CC3=CC=C(C=C3)Cl","ROEVRPVBIIFVOM-UHFFFAOYSA-N","397757",NA,"PDBC21538","706179","Present"
-"3-[2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine","","","","","","","","","","","","","","","","","","","","3-[2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine","","CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CC3=CC=C(C=C3)OC","YLEBLYRTFAZEDM-UHFFFAOYSA-N","397756",NA,"PDBC21539","706178","Present"
-"3-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethylamino]propane-1,2-diol;hydrochloride","","","","","","","","","","","","","","","","","","","","3-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethylamino]propane-1,2-diol;hydrochloride","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCC(CO)O.Cl","MXCSLVSVSDKKNT-UHFFFAOYSA-N","24182211",NA,"PDBC21540","14659","Present"
-"3-[2-[(Methylamino)[[2-oxo-2-(4-bromophenyl)ethyl]thio]methylene]hydrazono]-1H-indole-2(3H)-one","","","","","","","","","","","","","","","","","","","","3-[2-[(Methylamino)[[2-oxo-2-(4-bromophenyl)ethyl]thio]methylene]hydrazono]-1H-indole-2(3H)-one","","CN=C(N=NC1=C(NC2=CC=CC=C21)O)SCC(=O)C3=CC=C(C=C3)Br","VRELBKWRSBTVLV-UHFFFAOYSA-N","399475",NA,"PDBC21541","710326","Present"
-"3-[2-[(Z)-1-Benzamido-2-(4-dimethylaminophenyl)vinyl]-5-oxo-4H-oxazol-4-yl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[2-[(Z)-1-Benzamido-2-(4-dimethylaminophenyl)vinyl]-5-oxo-4H-oxazol-4-yl]propanoic acid","","CN(C)C1=CC=C(C=C1)C=C(C2=NC(C(=O)O2)CCC(=O)O)NC(=O)C3=CC=CC=C3","ZMCJXVDVAPKKGY-RGEXLXHISA-N","6477567",NA,"PDBC21542","690954","Present"
-"3-[2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenyl]prop-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","3-[2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenyl]prop-2-yn-1-ol","","C1=CC=C(C(=C1)C#CCO)C#CC=CC#CC2=CC=CC=C2N","QRAVXZQSCXACBE-UPHRSURJSA-N","24203899",NA,"PDBC21543","730085","Present"
-"3-[2-[10-[2-(3-Hydroxyprop-1-ynyl)phenyl]deca-1,9-diynyl]phenyl]prop-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","3-[2-[10-[2-(3-Hydroxyprop-1-ynyl)phenyl]deca-1,9-diynyl]phenyl]prop-2-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCCCC#CC2=CC=CC=C2C#CCO)C#CCO","HGYGCLPQJQTIKC-UHFFFAOYSA-N","24203452",NA,"PDBC21544","728066","Present"
-"3-[2-[2,3-Bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine","","","","","","","","","","","","","","","","","","","","3-[2-[2,3-Bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine","","CN(C)CC(CC1=C(CCC1)CC(CN(C)C)N(C)C)N(C)C","LAAYVNAGMUFKIX-UHFFFAOYSA-N","362176",NA,"PDBC21545","625760","Present"
-"3-[2-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazinan-2-yl]-1-phenylethyl]sulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","3-[2-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazinan-2-yl]-1-phenyl-ethyl]sulfanylpropanoic acid","","C1CSC(NC1=O)(CC(C2=CC=CC=C2)SCCC(=O)O)C3=CC=C(C=C3)Cl","IERRFVNPGRBDLP-UHFFFAOYSA-N","396797",NA,"PDBC21546","703776","Present"
-"3-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol","","","","","","","","","","","","","","","","","","","","3-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC(=CC=C2)O","FDZNCNDVRVGGAQ-UHFFFAOYSA-N","24205413",NA,"PDBC21547","735442","Present"
-"3-[2-[2-[4-(2-Phenylethynyl)phenyl]ethynyl]phenyl]prop-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","3-[2-[2-[4-(2-Phenylethynyl)phenyl]ethynyl]phenyl]prop-2-yn-1-ol","","C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3C#CCO","QYDWYTDTWUZDTN-UHFFFAOYSA-N","24204228",NA,"PDBC21548","731014","Present"
-"3-[2-[2-[4-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]prop-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","3-[2-[2-[4-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]prop-2-yn-1-ol","","C1=CC=C(C(=C1)C#CCO)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3C#CCO","YEVMHLDIYTUKSV-UHFFFAOYSA-N","24203456",NA,"PDBC21549","728071","Present"
-"3-[2-[2-[5-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]thiophen-2-yl]ethynyl]phenyl]prop-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","3-[2-[2-[5-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]thiophen-2-yl]ethynyl]phenyl]prop-2-yn-1-ol","","C1=CC=C(C(=C1)C#CCO)C#CC2=CC=C(S2)C#CC3=CC=CC=C3C#CCO","SUWLMRGKQHODJB-UHFFFAOYSA-N","24203904",NA,"PDBC21550","730090","Present"
-"3-[2-[2-[[5-[4-[Benzenesulfonyl(2-cyanoethyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]hydrazinyl]-N-(3-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[2-[2-[[5-[4-[Benzenesulfonyl(2-cyanoethyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]hydrazinyl]-N-(3-methoxyphenyl)-3-oxopropanamide","","COC1=CC=CC(=C1)NC(=O)CC(=O)NNCC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)N(CCC#N)S(=O)(=O)C4=CC=CC=C4","CMUDYEQEAKIOEB-UHFFFAOYSA-N","370005",NA,"PDBC21551","642569","Present"
-"3-[2-[3-(2,4-Dimethoxyanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(2,4-dimethoxyphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[2-[3-(2,4-Dimethoxyanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(2,4-dimethoxyphenyl)-2-oxopropanamide","","COC1=CC(=C(C=C1)NC(=O)C(=O)CC2=C(C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C(=O)NC3=C(C=C(C=C3)OC)OC)OC","SIALLFSEWSVREZ-UHFFFAOYSA-N","371568",NA,"PDBC21552","645897","Present"
-"3-[2-[3-(2,5-Dichloroanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(2,5-dichlorophenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[2-[3-(2,5-Dichloroanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(2,5-dichlorophenyl)-2-oxopropanamide","","C1=CC(=C(C=C1Cl)NC(=O)C(=O)CC2=C(C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl)Cl","LZHJHVHRKPULIY-UHFFFAOYSA-N","371960",NA,"PDBC21553","646777","Present"
-"3-[2-[3-(4-Chloro-2-methylanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(4-chloro-2-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[2-[3-(4-Chloro-2-methylanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(4-chloro-2-methylphenyl)-2-oxopropanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC2=C(C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)C","DYHXRAWINWIWSQ-UHFFFAOYSA-N","371869",NA,"PDBC21554","646388","Present"
-"3-[2-[3-Amino-2-(dimethylamino)propyl]cyclopenten-1-yl]-2-N,2-N-dimethylpropane-1,2-diamine","","","","","","","","","","","","","","","","","","","","3-[2-[3-Amino-2-(dimethylamino)propyl]cyclopenten-1-yl]-2-N,2-N-dimethylpropane-1,2-diamine","","CN(C)C(CC1=C(CCC1)CC(CN)N(C)C)CN","KLCGZEXDANGXJY-UHFFFAOYSA-N","362175",NA,"PDBC21555","625759","Present"
-"3-[2-[3-[(2,4-Dimethylphenyl)carbamoyl]-2-oxonaphthalen-1-ylidene]hydrazinyl]-4-hydroxybenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[(E)-[3-[(2,4-Dimethylphenyl)carbamoyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxy-benzenesulfonic acid","","CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)S(=O)(=O)O)O)C","LZBFYQQOKGIGIS-UHFFFAOYSA-N","84715",NA,"PDBC21556","97318","Present"
-"3-[2-[4-Oxo-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[2-[4-Oxo-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C=CC2=CC=CC=C2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C=CC7=CC=CC=C7","ABVVAMCCOGSZCL-PHEQNACWSA-N","5471094",NA,"PDBC21557","708421","Present"
-"3-[2-[4-[2-Oxo-2-(5-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)ethoxy]phenoxy]acetyl]-1-phenyl-2-sulfanylideneimidazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[2-[4-[2-Oxo-2-(5-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)ethoxy]phenoxy]acetyl]-1-phenyl-2-sulfanylideneimidazolidin-4-one","","C1C(=O)N(C(=S)N1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CN(C4=S)C5=CC=CC=C5","KSSYNKBGUWBGIV-UHFFFAOYSA-N","394030",NA,"PDBC21558","697148","Present"
-"3-[2-[9-[2-(3-Hydroxyprop-1-ynyl)phenyl]nona-1,8-diynyl]phenyl]prop-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","3-[2-[9-[2-(3-Hydroxyprop-1-ynyl)phenyl]nona-1,8-diynyl]phenyl]prop-2-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCCC#CC2=CC=CC=C2C#CCO)C#CCO","DEQAVBUKXGIXAW-UHFFFAOYSA-N","24203451",NA,"PDBC21559","728065","Present"
-"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octane;oxalic acid","","","","","","","","","","","","","","","","","","","","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octane;oxalic acid","","C1CC2CN(CC1N2CCCC3=CC=CC=C3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(=O)O)O","FBHYQJYIXIXEOA-UHFFFAOYSA-N","401885",NA,"PDBC21560","715578","Present"
-"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane","","","","","","","","","","","","","","","","","","","","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane","","CN1C2CCC1CN(C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F","BBVCHKBRDIGQFY-UHFFFAOYSA-N","401893",NA,"PDBC21561","715582","Present"
-"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-methyl-8-azabicyclo[3.2.1]octane;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-methyl-8-azabicyclo[3.2.1]octane;(E)-but-2-enedioic acid","","CN1C2CCC1CC(C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O","PGIKMYQNKAJGKL-WLHGVMLRSA-N","5471950",NA,"PDBC21562","715575","Present"
-"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-(1H-indol-2-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane;oxalic acid","","","","","","","","","","","","","","","","","","","","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-(1H-indol-2-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane;oxalic acid","","C1CC2CN(CCC1N2CC3=CC4=CC=CC=C4N3)CCOC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F.C(=O)(C(=O)O)O","PRFNEDVJFWRBFN-UHFFFAOYSA-N","401897",NA,"PDBC21563","715585","Present"
-"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-(3-phenylpropyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride","","","","","","","","","","","","","","","","","","","","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-(3-phenylpropyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride","","C1CC2CN(CCC1N2CCCC3=CC=CC=C3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.Cl","BDTAKUVKDFYPOS-UHFFFAOYSA-N","401894",NA,"PDBC21564","715583","Present"
-"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-(furan-2-yl)prop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid","","","","","","","","","","","","","","","","","","","","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-(furan-2-yl)prop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid","","C1CC2CN(CCC1N2CC=CC3=CC=CO3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(=O)O)O","CKZWFHFTIYLNOU-KSMVGCCESA-N","5471955",NA,"PDBC21565","715588","Present"
-"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-pyridin-3-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid","","","","","","","","","","","","","","","","","","","","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-pyridin-3-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid","","C1CC2CN(CCC1N2CC=CC3=CN=CC=C3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(=O)O)O","XJRMEWYZTHKTFS-VEELZWTKSA-N","5471953",NA,"PDBC21566","715587","Present"
-"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-thiophen-2-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid","","","","","","","","","","","","","","","","","","","","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-thiophen-2-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid","","C1CC2CN(CCC1N2CC=CC3=CC=CS3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(=O)O)O","FTSIOYFPWXTUDM-KSMVGCCESA-N","5471951",NA,"PDBC21567","715586","Present"
-"3-[2-[Bis(4-fluorophenyl)methoxy]ethylidene]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride","","","","","","","","","","","","","","","","","","","","3-{2-[Bis(4-fluorophenyl)methoxy]ethylidene}-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride","","CN1C2CCC1CC(=CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C2.Cl","URQWNSYDPXLJJJ-UHFFFAOYSA-N","401872",NA,"PDBC21568","715568","Present"
-"3-[2-[Bis[2-[bis(2-cyanoethyl)amino]ethyl]amino]ethyl-(2-cyanoethyl)amino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[2-[Bis[2-[bis(2-cyanoethyl)amino]ethyl]amino]ethyl-(2-cyanoethyl)amino]propanenitrile","","C(CN(CCC#N)CCN(CCN(CCC#N)CCC#N)CCN(CCC#N)CCC#N)C#N","QCRZEMFWXFYQES-UHFFFAOYSA-N","383109",NA,"PDBC21569","671153","Present"
-"3-[2-[[2-(3-Cyanoanilino)phenyl]disulfanyl]anilino]benzonitrile","","","","","","","","","","","","","","","","","","","","3-[2-[[2-(3-Cyanoanilino)phenyl]disulfanyl]anilino]benzonitrile","","C1=CC=C(C(=C1)NC2=CC=CC(=C2)C#N)SSC3=CC=CC=C3NC4=CC=CC(=C4)C#N","BJQOPCUTOBUGRG-UHFFFAOYSA-N","383771",NA,"PDBC21570","672215","Present"
-"3-[3,4-Diacetyloxy-6-(acetyloxymethyl)-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropane-1-thiolate;1,3-dibenzyl-4,5-diphenyl-2H-imidazol-2-ide;gold(1+)","","","","","","","","","","","","","","","","","","","","(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) (1...","","CC(=O)OCC1C(C(C(C(O1)OCCC[S-])OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.[CH-]1N(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Au+]","UDUZDVNKVORBBS-UHFFFAOYSA-M","155807071",NA,"PDBC21571","791198","Present"
-"3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-4H-[1,2]thiazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-4H-[1,2]thiazolo[4,5-d]pyrimidin-7-one","","C(C1C(C(C(O1)C2=NSC3=C2NC(=S)NC3=O)O)O)O","ANMZLGUZOQSFCR-UHFFFAOYSA-N","3748828",NA,"PDBC21572","682916","Present"
-"3-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(dimethylamino)cyclobut-3-ene-1,2-dione","","","","","","","","","","","","","","","","","","","","3-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(dimethylamino)cyclobut-3-ene-1,2-dione","","CN(C)C1=C(C(=O)C1=O)C2C(C(C(O2)CO)O)O","JYAQYTZUHKBRLR-UHFFFAOYSA-N","393543",NA,"PDBC21573","695605","Present"
-"3-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione","","CC1=CSC2=C1NC(=O)N(C2=O)C3C(C(C(O3)CO)O)O","XAGOOXMHFHXUHD-UHFFFAOYSA-N","385457",NA,"PDBC21574","676695","Present"
-"3-[3,5-Bis(trifluoromethyl)anilino]-1,7,7-trimethyl-norbornan-2-one","","","","","","","","","","","","","","","","","","","","3-[3,5-Bis(trifluoromethyl)anilino]-1,7,7-trimethyl-norbornan-2-one","","CC1(C2CCC1(C(=O)C2NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C)C","QDAWCNQBXDDCPC-UHFFFAOYSA-N","395323",NA,"PDBC21575","699805","Present"
-"3-[3,5-Bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]phenyl]-3-oxopropanenitrile","","","","","","","","","","","","","","","","","","","","3-[3,5-Bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]phenyl]-3-oxo-propanenitrile","","C1=CC(=CC=C1COC2=CC(=CC(=C2)COC3=CC(=CC(=C3)C(=O)CC#N)OCC4=CC(=CC(=C4)OCC5=CC=C(C=C5)Br)OCC6=CC=C(C=C6)Br)OCC7=CC=C(C=C7)Br)Br","DDGKOCLFASFZGQ-UHFFFAOYSA-N","395736",NA,"PDBC21576","700536","Present"
-"3-[3-(1,3-Benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[3-(1,3-Benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one","","COC1=C(C=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OCO3)C4=C(C5=CC=CC=C5OC4=O)O)OC","KAEJNAAQVHOUJZ-UHFFFAOYSA-N","54680474",NA,"PDBC21577","208759","Present"
-"3-[3-(1-Piperidin-1-ylcyclohexyl)phenoxy]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[3-[1-(1-Piperidyl)cyclohexyl]phenoxy]propanenitrile","","C1CCC(CC1)(C2=CC(=CC=C2)OCCC#N)N3CCCCC3","BEAUAZGEYUARAA-UHFFFAOYSA-N","398096",NA,"PDBC21578","707462","Present"
-"3-[3-(2-Carboxyethylamino)propylamino]propanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC642921","","C(CNCCC(=O)O)CNCCC(=O)O.Cl","SSYNBZRNYAQVFL-UHFFFAOYSA-N","370177",NA,"PDBC21579","642921","Present"
-"3-[3-(2-Cyanoethyl)-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[3-(2-Cyanoethyl)-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl]propanenitrile","","C1COS(=O)(=O)C(S(=O)(=O)O1)(CCC#N)CCC#N","HSZVOGXIKJCWSL-UHFFFAOYSA-N","380418",NA,"PDBC21580","665941","Present"
-"3-[3-(2-Oxo-1,3-benzoxazol-3-yl)propyl]-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","3-[3-(2-Oxo-1,3-benzoxazol-3-yl)propyl]-1,3-benzoxazol-2-one","","C1=CC=C2C(=C1)N(C(=O)O2)CCCN3C4=CC=CC=C4OC3=O","YFNAMDVTSIEUCU-UHFFFAOYSA-N","391445",NA,"PDBC21581","690649","Present"
-"3-[3-(2-Oxopropyl)thio][1,4]triazolyl triphenylphosphonium chloride, hydrochloride","","","","","","","","","","","","","","","","","","","","3-[3-(2-Oxopropyl)thio][1,2,4]triazolyl triphenylphospho...","","C1=CC=C(C=C1)[P+](CC(=O)CSC2=NC=NN2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl.[Cl-]","AETABKYALDBANI-UHFFFAOYSA-M","360918",NA,"PDBC21582","623633","Present"
-"3-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","3-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]benzenesulfonamide","","C1=CC(=CC(=C1)S(=O)(=O)N)NC(=S)NC(=O)NC2=CC(=C(C=C2)Cl)Cl","HCAPKDCCZKFUII-UHFFFAOYSA-N","5470530",NA,"PDBC21583","702686","Present"
-"3-[3-(4-Aminobutylamino)propyl]-2-oxazolidinone","","","","","","","","","","","","","","","","","","","","3-[3-(4-aminobutylamino)propyl]-2-oxazolidinone","","C1COC(=O)N1CCCNCCCCN","IGKSIBGAHGEJBE-UHFFFAOYSA-N","380471",NA,"PDBC21584","666067","Present"
-"3-[3-(4-Cyclopentylphenyl)propyl]-4-hydroxynaphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 2-[3-(4-cyclopentylphenyl)-propyl]...","","C1CCC(C1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O","ICLZWWREVHIETA-UHFFFAOYSA-N","45028328",NA,"PDBC21585","742232","Present"
-"3-[3-(4-Methoxyphenyl)-4,9-dioxobenzo[f]benzimidazol-2-yl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[1-(4-Methoxyphenyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl]propanoic acid","","COC1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCC(=O)O","YTZQQWDVSFBIQW-UHFFFAOYSA-N","382890",NA,"PDBC21586","670767","Present"
-"3-[3-(5-Methoxy-1H-indol-3-yl)-2H-1,4-thiazin-5-yl]-1H-pyrrolo[2,3-b]pyridine","","","","","","","","","","","","","","","","","","","","3-[3-(5-methoxy-1H-indol-3-yl)-2H-1,4-thiazin-5-yl]-1H-p...","","COC1=CC2=C(C=C1)NC=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5","WHBGXCMBEUXTCX-UHFFFAOYSA-N","136040141",NA,"PDBC21587","753369","Present"
-"3-[3-(7-Hydroxytriazolo[4,5-d]pyrimidin-3-yl)propyl]triazolo[4,5-d]pyrimidin-7-ol","","","","","","","","","","","","","","","","","","","","3-[3-(7-Hydroxytriazolo[4,5-d]pyrimidin-3-yl)propyl]triazolo[4,5-d]pyrimidin-7-ol","","C1=NC2=C(C(=O)N1)N=NN2CCCN3C4=C(C(=O)NC=N4)N=N3","ZAPPSJLNEAOBKS-UHFFFAOYSA-N","135409017",NA,"PDBC21588","653418","Present"
-"3-[3-(Diethylamino)propyl]pyrido[2,3-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","3-[3-(Diethylamino)propyl]pyrido[2,3-d]pyrimidin-4(3H)-one","","CCN(CC)CCCN1C=NC2=C(C1=O)C=CC=N2","GIVNOFGTFJJETG-UHFFFAOYSA-N","360823",NA,"PDBC21589","623240","Present"
-"3-[3-(Dimethylamino)propylamino]hexanedinitrile","","","","","","","","","","","","","","","","","","","","3-[3-(Dimethylamino)propylamino]hexanedinitrile","","CN(C)CCCNC(CCC#N)CC#N","FSQFEECLDARRLK-UHFFFAOYSA-N","293528",NA,"PDBC21590","160165","Present"
-"3-[3-(Propargylthio)quinoline-4-ylthio]quinoline-4(1H)-one","","","","","","","","","","","","","","","","","","","","1,4-Dihydro-4-oxo-3'-propargylthio-3,4'-diquinolinyl sul...","","C#CCSC1=C(C2=CC=CC=C2N=C1)SC3=CNC4=CC=CC=C4C3=O","GTUBGKDAPLYKLI-UHFFFAOYSA-N","401658",NA,"PDBC21591","715360","Present"
-"3-[3-(Trifluoromethyl)phenyl]-6-(pyrrolidine-1-yl)pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","6-Pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione","","C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=CC(=C3)C(F)(F)F","IYVJDYWQBNPSBX-UHFFFAOYSA-N","396882",NA,"PDBC21592","703909","Present"
-"3-[3-(Trifluoromethyl)phenyl]-6-morpholinopyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","6-Morpholino-3-[3-(trifluoromethyl)phenyl]-1h-pyrimidine-2,4-dione","","C1COCCN1C2=CC(=O)N(C(=O)N2)C3=CC=CC(=C3)C(F)(F)F","JBHJIPOUUMPCSW-UHFFFAOYSA-N","396950",NA,"PDBC21593","704154","Present"
-"3-[3-Amino-4-(1,3-benzothiazol-2-yl)-7-nitro-1-oxoisoquinolin-2-yl]benzoic acid","","","","","","","","","","","","","","","","","","","","3-[3-Amino-4-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-2-isoquinolyl]benzoic acid","","C1=CC=C2C(=C1)N=C(S2)C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC(=C5)C(=O)O)N","RAQLQSRNYDEINT-UHFFFAOYSA-N","391658",NA,"PDBC21594","691200","Present"
-"3-[3-Amino-4-(4-methoxyphenyl)-7-nitro-1-oxo-2-isoquinolyl]benzoic acid","","","","","","","","","","","","","","","","","","","","3-[3-Amino-4-(4-methoxyphenyl)-7-nitro-1-oxo-2-isoquinolyl]benzoic acid","","COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)O)N","KRUIPIICEHGIGJ-UHFFFAOYSA-N","392507",NA,"PDBC21595","693024","Present"
-"3-[3-Bromo-3-(bromomethyl)pent-4-enyl]-2,2-dimethyloxirane","","","","","","","","","","","","","","","","","","","","3-[3-Bromo-3-(bromomethyl)pent-4-en-1-yl]-2,2-dimethyloxirane","","CC1(C(O1)CCC(CBr)(C=C)Br)C","XVGUTIOYSVDYGM-UHFFFAOYSA-N","382918",NA,"PDBC21596","670793","Present"
-"3-[3-Chloro-2-(3-nitrophenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[3-Chloro-2-(3-nitrophenyl)-4-oxoazetidin-1-yl]quinazolin-4(3H)-one","","C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC(=CC=C4)[N+](=O)[O-]","GLIPMQANQSVZFV-UHFFFAOYSA-N","373564",NA,"PDBC21597","650017","Present"
-"3-[3-Chloro-2-(4-nitrophenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[3-Chloro-2-(4-nitrophenyl)-4-oxoazetidin-1-yl]quinazolin-4(3H)-one","","C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC=C(C=C4)[N+](=O)[O-]","VTOPRLOHDFOJDB-UHFFFAOYSA-N","373565",NA,"PDBC21598","650018","Present"
-"3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(2,4-dichlorophenyl)thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl","CZHXMWQEBROOTK-UHFFFAOYSA-N","392952",NA,"PDBC21599","694166","Present"
-"3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(2-hydroxyphenyl)thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl","BACFPTPXYBNCNG-UHFFFAOYSA-N","392953",NA,"PDBC21600","694167","Present"
-"3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl","SFTGDEHMYAZZBQ-UHFFFAOYSA-N","392955",NA,"PDBC21601","694169","Present"
-"3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(4-chlorophenyl)thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl","AMIHDTRCWFXMLW-UHFFFAOYSA-N","392951",NA,"PDBC21602","694165","Present"
-"3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(4-dimethylaminophenyl)thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(4-dimethylaminophenyl)thiazolidin-4-one","","CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl","IKTODYNLMXEQOO-UHFFFAOYSA-N","392956",NA,"PDBC21603","694170","Present"
-"3-[3-Di(4-hydroxy-2-oxo-2H-3-chromenyl)methylphenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-4-hydroxy-2H-2-chromenone","","","","","","","","","","","","","","","","","","","","3-[[3-[Bis(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC(=CC=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O)C8=C(C9=CC=CC=C9OC8=O)O)O","QZBMFHIMCCLLEZ-UHFFFAOYSA-N","54694511",NA,"PDBC21604","686393","Present"
-"3-[3-Methoxy-4-hydroxy-5-[1-(methoxycarbonyl)-2-(3,4-dimethoxyphenyl)ethyl]phenyl]propanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 3-(3,4-dimethoxyphenyl)-2-[2-hydroxy-3-methoxy-5-(3-methoxy-3-oxopropyl)phenyl]propanoate","","COC1=C(C=C(C=C1)CC(C2=C(C(=CC(=C2)CCC(=O)OC)OC)O)C(=O)OC)OC","GYPNOLWZMZCOFY-UHFFFAOYSA-N","384680",NA,"PDBC21605","674907","Present"
-"3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(2-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(2-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(2-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(2-methylphenyl)-3-oxopropanamide","","CC1=CC=CC=C1NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C(=O)CC(=O)NC6=CC=CC=C6C)C","NMZUPLXHJQOACQ-UHFFFAOYSA-N","385925",NA,"PDBC21606","677388","Present"
-"3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(3-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(3-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(3-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(3-methylphenyl)-3-oxopropanamide","","CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C(=O)CC(=O)NC6=CC=CC(=C6)C)C","CGBQIISCEQELFS-UHFFFAOYSA-N","385926",NA,"PDBC21607","677389","Present"
-"3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(4-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(4-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C(=O)CC(=O)NC6=CC=C(C=C6)C)C","VXIOZNKRTFJDBO-UHFFFAOYSA-N","385927",NA,"PDBC21608","677390","Present"
-"3-[3-[(2,3-Dihydroxy-5-sulfo-benzoyl)-[4-[(2,3-dihydroxy-5-sulfo-benzoyl)-[3-[(2,3-dihydroxy-5-sulfo-benzoyl)amino]propyl]amino]butyl]amino]propylcarbamoyl]-4,5-dihydroxy-benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[3-[(2,3-Dihydroxy-5-sulfobenzoyl)-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butyl]amino]propylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid","","C1=C(C=C(C(=C1C(=O)NCCCN(CCCCN(CCCNC(=O)C2=C(C(=CC(=C2)S(=O)(=O)O)O)O)C(=O)C3=C(C(=CC(=C3)S(=O)(=O)O)O)O)C(=O)C4=C(C(=CC(=C4)S(=O)(=O)O)O)O)O)O)S(=O)(=O)O","IVQTZAYZNMLEIO-UHFFFAOYSA-N","391981",NA,"PDBC21609","691703","Present"
-"3-[3-[2,4-Dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-4-hydroxyphenyl]-1-(2,4-dihydroxyphenyl)propan-1-one","","","","","","","","","","","","","","","","","","","","3-[3-[2,4-Dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-4-hydroxyphenyl]-1-(2,4-dihydroxyphenyl)propan-1-one","","C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C(=C2)C3=C(C=CC(=C3)CCC(=O)C4=C(C=C(C=C4)O)O)O)O)O)O","FAQWOFCQXNXDLT-XCVCLJGOSA-N","5472702",NA,"PDBC21610","720817","Present"
-"3-[3-[2-(Diethylamino)ethylsulfanyl]-1H-1,2,4-triazol-5-yl]-7-methyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","3-[3-[2-(Diethylamino)ethylsulfanyl]-1H-1,2,4-triazol-5-yl]-7-methyl-1H-1,8-naphthyridin-4-one","","CCN(CC)CCSC1=NNC(=N1)C2=CNC3=C(C2=O)C=CC(=N3)C","KQFBOVSPARXCLY-UHFFFAOYSA-N","135426672",NA,"PDBC21611","706814","Present"
-"3-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with N-[[3-[2-chloro-4-(4,6-...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C","NFZCDHIQVFFNCX-UHFFFAOYSA-N","275314",NA,"PDBC21612","122060","Present"
-"3-[3-[2-[Bis[2-[[3-(3-carboxy-2-methoxy-phenyl)-2-methoxy-benzoyl]amino]ethyl]amino]ethylcarbamoyl]-2-methoxy-phenyl]-2-methoxy-benzoic acid","","","","","","","","","","","","","","","","","","","","3-[3-[2-[Bis[2-[[3-(3-carboxy-2-methoxyphenyl)-2-methoxybenzoyl]amino]ethyl]amino]ethylcarbamoyl]-2-methoxyphenyl]-2-methoxybenzoic acid","","COC1=C(C=CC=C1C(=O)NCCN(CCNC(=O)C2=CC=CC(=C2OC)C3=C(C(=CC=C3)C(=O)O)OC)CCNC(=O)C4=CC=CC(=C4OC)C5=C(C(=CC=C5)C(=O)O)OC)C6=C(C(=CC=C6)C(=O)O)OC","IJQAKTXGGGZOSI-UHFFFAOYSA-N","385042",NA,"PDBC21613","675963","Present"
-"3-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)N)N)C","UEWHSOJEWFZEHY-UHFFFAOYSA-N","270820",NA,"PDBC21614","113908","Present"
-"3-[4'-(Methylthio)-1-naphthyl)phthalide","","","","","","","","","","","","","","","","","","","","3-[4'-(Methylthio)-1-naphthyl)phthalide","","CSC1=CC=C(C2=CC=CC=C21)C3C4=CC=CC=C4C(=O)O3","LIJRPMMDIWJXTO-UHFFFAOYSA-N","368428",NA,"PDBC21615","639444","Present"
-"3-[4'-Chloro-1-naphthyl]phthalide","","","","","","","","","","","","","","","","","","","","3-[4'-Chloro-1-naphthyl]phthalide","","C1=CC=C2C(=C1)C(OC2=O)C3=CC=C(C4=CC=CC=C34)Cl","AJTOEBRDTYZUPU-UHFFFAOYSA-N","368427",NA,"PDBC21616","639443","Present"
-"3-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-6H-triazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","3-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-6H-triazolo[4,5-d]pyrimidin-7-one","","C1=C(C(C(C1N2C3=C(C(=O)NC=N3)N=N2)O)O)CO","VMHPSTGSEJZZKZ-UHFFFAOYSA-N","135416123",NA,"PDBC21617","642828","Present"
-"3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid","","","","","","","","","","","","","","","","","","","","1H-1,4,7-Triazonine-1,4,7-tripropanoic acid, hexahydro-","","C1CN(CCN(CCN1CCC(=O)O)CCC(=O)O)CCC(=O)O","XTBYGWFSZYYULT-UHFFFAOYSA-N","393905",NA,"PDBC21618","696866","Present"
-"3-[4-(1,1-Dimethylprop-2-ynoxy)butoxy]-1-hydroxy-10-methyl-acridin-9-one","","","","","","","","","","","","","","","","","","","","3-[4-(1,1-Dimethylprop-2-ynoxy)butoxy]-1-hydroxy-10-methyl-acridin-9-one","","CC(C)(C#C)OCCCCOC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2C","PHSVTDPMCASFSA-UHFFFAOYSA-N","5467450",NA,"PDBC21619","652551","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC=CC6=CC=CC=C6","ASXJIUKCYSKBQT-JLYPQOKGSA-N","5470725",NA,"PDBC21620","704653","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-penta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-penta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","CC=CC=CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O","PPTKYWBYYLFDAN-CRBCFSCISA-N","5470728",NA,"PDBC21621","704656","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","COC1=CC(=CC(=C1OC)OC)C=CC2=NN(C3(C2)N(C(=O)CS3)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)S(=O)(=O)O","ZUZCMEBCENUTKW-VAWYXSNFSA-N","5470721",NA,"PDBC21622","704649","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-phenylethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-phenylethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6","VEBYSAGFNVZSIN-BUHFOSPRSA-N","5470724",NA,"PDBC21623","704652","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-thiophen-2-ylethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-thiophen-2-ylethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CS6","ABMBJDYFYWLVDW-ZHACJKMWSA-N","5470722",NA,"PDBC21624","704650","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-bromophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-bromophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6Br","PVIXJDRMHMEFJV-OUKQBFOZSA-N","5470715",NA,"PDBC21625","704643","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6O","WTBYICVQVMIPAM-OUKQBFOZSA-N","135505203",NA,"PDBC21626","704644","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","COC1=CC=CC=C1C=CC2=NN(C3(C2)N(C(=O)CS3)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)S(=O)(=O)O","KPDUVHYUFMBOCS-BUHFOSPRSA-N","5470720",NA,"PDBC21627","704648","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-nitrophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-nitrophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6[N+](=O)[O-]","MVHPNXHEMLKYEB-OUKQBFOZSA-N","5470727",NA,"PDBC21628","704655","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-bromophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-bromophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC(=CC=C6)Br","HCYBZDCNGQICFG-VAWYXSNFSA-N","5470714",NA,"PDBC21629","704642","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","COC1=CC=CC(=C1)C=CC2=NN(C3(C2)N(C(=O)CS3)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)S(=O)(=O)O","GOMRSFCGRBPEOL-OUKQBFOZSA-N","5470719",NA,"PDBC21630","704647","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-nitrophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-nitrophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC(=CC=C6)[N+](=O)[O-]","VWXZODIKBLRMQB-VAWYXSNFSA-N","5470726",NA,"PDBC21631","704654","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(4-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(4-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","COC1=CC=C(C=C1)C=CC2=NN(C3(C2)N(C(=O)CS3)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)S(=O)(=O)O","DLAZWWXTRZZSCN-FMIVXFBMSA-N","5470718",NA,"PDBC21632","704646","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","CCN(CC)C1=CC=C(C=C1)C=CC2=NN(C3(C2)N(C(=O)CS3)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)S(=O)(=O)O","XVOPTXISUUVNFQ-NTCAYCPXSA-N","5470717",NA,"PDBC21633","704645","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-4-methylpent-1-enyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-4-methylpent-1-enyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","CC(C)CC=CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O","GPGNZNHYQCLSRN-VMPITWQZSA-N","5470723",NA,"PDBC21634","704651","Present"
-"3-[4-(1,3-Benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1,3-benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O","KLIAGZQAAJEKFQ-UHFFFAOYSA-N","397247",NA,"PDBC21635","704664","Present"
-"3-[4-(1-Adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile","","","","","","","","","","","","","","","","","","","","3-[4-(1-Adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC(=C6)C#N","OYWCELLDCGQESS-UHFFFAOYSA-N","384703",NA,"PDBC21636","674939","Present"
-"3-[4-(1-Hydroxybutyl)triazol-1-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-(1-Hydroxybutyl)triazol-1-yl]benzenesulfonic acid","","CCCC(C1=CN(N=N1)C2=CC(=CC=C2)S(=O)(=O)O)O","BTIYETNSPANMHR-UHFFFAOYSA-N","365361",NA,"PDBC21637","632946","Present"
-"3-[4-(1H-Indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-indole","","","","","","","","","","","","","","","","","","","","3-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-indole","","CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CNC5=C4C=CC=N5","NWGCTTNQVVTNEW-UHFFFAOYSA-N","60147979",NA,"PDBC21638","753376","Present"
-"3-[4-(2,2,3,3-Tetracyanocyclopropyl)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile","","","","","","","","","","","","","","","","","","","","3-[4-(2,2,3,3-Tetracyanocyclopropyl)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile","","C1=CC(=CC=C1C2C(C2(C#N)C#N)(C#N)C#N)C3C(C3(C#N)C#N)(C#N)C#N","WYTZXTXKOCVGAT-UHFFFAOYSA-N","361809",NA,"PDBC21639","625128","Present"
-"3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-1-(4-bromophenyl)propan-1-ol;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-1-(4-bromophenyl)propan-1-ol;(Z)-but-2-enedioic acid","","C1CN(CCN1CCC(C2=CC=C(C=C2)Br)O)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O","QRGDCKUNXUBOLS-BTJKTKAUSA-N","5471963",NA,"PDBC21640","715598","Present"
-"3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid","","C1CN(CCN1CCC(C2=CC=CC=C2)O)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O","SBKWOPPWVIJHPY-BTJKTKAUSA-N","5471962",NA,"PDBC21641","715597","Present"
-"3-[4-(2-Carboxyethylamino)butylamino]propanoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC642922","","C(CCNCCC(=O)O)CNCCC(=O)O.Cl","VEAHXSJFYHYHTH-UHFFFAOYSA-N","370179",NA,"PDBC21642","642922","Present"
-"3-[4-(2-Methylbutan-2-yl)phenoxy]benzoic acid","","","","","","","","","","","","","","","","","","","","3-(4-tert-pentylphenoxy)benzoic acid","","CCC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O","JFXXHIZGJDHSSF-UHFFFAOYSA-N","222268",NA,"PDBC21643","7962","Present"
-"3-[4-(2-Tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2-[[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2-[[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl]propanoic acid","","CC1(COC(OC1)(C2=CC=C(C=C2)CC(CC3=CC=C(C=C3)C4(OCC(CO4)(C)C)C(C)(C)C)C(=O)O)C(C)(C)C)C","OYKGNJGTCYPQFL-UHFFFAOYSA-N","334512",NA,"PDBC21644","339911","Present"
-"3-[4-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","3-[4-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C3=CC=C(C=C3)C4=[N+](C5=CC=CC=C5[N+](=C4N)[O-])[O-])[O-]","NVQMOUOPHBTQML-UHFFFAOYSA-N","135484683",NA,"PDBC21645","621724","Present"
-"3-[4-(3-Aminopropylamino)butyl]-2-oxazolidinone","","","","","","","","","","","","","","","","","","","","3-[4-(3-aminopropylamino)butyl]-2-oxazolidinone","","C1COC(=O)N1CCCCNCCCN","FYXFEEQRPLBNDI-UHFFFAOYSA-N","380472",NA,"PDBC21646","666068","Present"
-"3-[4-(3-Hydroxyphenyl)hexan-3-yl]phenol","","","","","","","","","","","","","","","","","","","","Phenol, 3,3'-(1,2-diethyl-1,2-ethanediyl)bis-","","CCC(C1=CC(=CC=C1)O)C(CC)C2=CC(=CC=C2)O","KUJAWCSIKNKXLL-UHFFFAOYSA-N","100424",NA,"PDBC21647","297170","Present"
-"3-[4-(4-Methoxyphenyl)piperazin-1-yl]-5-pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraene","","","","","","","","","","","","","","","","","","","","4-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(2-pyridyl)-5,6,...","","COC1=CC=C(C=C1)N2CCN(CC2)C3=C4C5=C(CCCCCC5)SC4=NC(=N3)C6=CC=CC=N6","UDCUJNQMCRRETB-UHFFFAOYSA-N","72196913",NA,"PDBC21648","764320","Present"
-"3-[4-(4-Nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile","","","","","","","","","","","","","","","","","","","","3-[4-(4-Nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile","","C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N=C3C#N","PAVKONCGUPJJRO-UHFFFAOYSA-N","394344",NA,"PDBC21649","697714","Present"
-"3-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]-2-[(E)-styryl]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]-2-[(E)-styryl]thiazolidin-4-one","","C1C(=O)N(C(S1)C=CC2=CC=CC=C2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","HPMOIIXXOUJIKY-HMMYKYKNSA-N","6067081",NA,"PDBC21650","674575","Present"
-"3-[4-(5-Pyridin-3-yl-1,2-dihydropyrazol-3-ylidene)pyrazol-3-yl]pyridine","","","","","","","","","","","","","","","","","","","","3-[5-(3-Pyridin-3-yl-1H-pyrazol-5-yl)-1H-pyrazol-3-yl]pyridine","","C1=CC(=CN=C1)C2=NNC(=C2)C3=CC(=NN3)C4=CN=CC=C4","YXPSFOLFJUQBTC-UHFFFAOYSA-N","340684",NA,"PDBC21651","371705","Present"
-"3-[4-(Carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[4-(Carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","C1=CC(=CC=C1CC(=O)O)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","AZOAVMLDDAOPKA-UHFFFAOYSA-N","394500",NA,"PDBC21652","698045","Present"
-"3-[4-(Carboxymethyl)anilino]quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[4-(Carboxymethyl)anilino]quinoxaline-2-carboxylic acid","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)CC(=O)O)C(=O)O","YDXHXRJBDDRQCU-UHFFFAOYSA-N","394502",NA,"PDBC21653","698047","Present"
-"3-[4-(Furan-2-yl)phenyl]-2-hydroxycyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-(4-(furan-2-yl)phenyl)-7-hydroxycyclohepta-2,4,6-trien...","","C1=CC(=C(C(=O)C=C1)O)C2=CC=C(C=C2)C3=CC=CO3","MQJZDDBEPDEJGY-UHFFFAOYSA-N","155814878",NA,"PDBC21654","794225","Present"
-"3-[4-(Methoxymethoxy)-3-nitrobenzyl]-1,7-dimethylxanthine","","","","","","","","","","","","","","","","","","","","3-[4-(methoxymethoxy)-3-nitrobenzyl]-1,7-dimethylxanthine","","CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC(=C(C=C3)OCOC)[N+](=O)[O-])C","YSIWODQTFLLYGO-UHFFFAOYSA-N","375308",NA,"PDBC21655","654825","Present"
-"3-[4-Amino-2-(4-methoxyanilino)-1,3-thiazole-5-carbonyl]chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[4-Amino-2-[(4-methoxyphenyl)amino]thiazole-5-carbonyl]chromen-2-one","","COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC4=CC=CC=C4OC3=O)N","KZYYEALEHBKQQQ-UHFFFAOYSA-N","399619",NA,"PDBC21656","710528","Present"
-"3-[4-Chloro-2-(2,6-dichlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-Chloro-2-(2,6-dichlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid","","C1=CC(=C(C(=C1)Cl)OC2=C(C=CC(=C2)Cl)N3C(=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)O)COC5=CC=C(C=C5)OC6=C(C=C(C=C6)Cl)Cl)Cl","OFYLAXRVTJPVSP-UHFFFAOYSA-N","403483",NA,"PDBC21657","718384","Present"
-"3-[4-Chloro-2-[3-(dimethylamino)propylsulfanyl]-5-methylphenyl]sulfonyl-1H-imidazol-2-one;propan-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","3-[4-Chloro-2-[3-(dimethylamino)propylsulfanyl]-5-methylphenyl]sulfonyl-1H-imidazol-2-one;propan-2-ol;hydrochloride","","CC1=CC(=C(C=C1Cl)SCCCN(C)C)S(=O)(=O)N2C=CNC2=O.CC(C)O.Cl","TVNQTZVFYILWHL-UHFFFAOYSA-N","387410",NA,"PDBC21658","681159","Present"
-"3-[4-Di(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methylphenyl(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methyl]-4,7-dihydroxy-2H-2-chromenone","","","","","","","","","","","","","","","","","","","","3-[[4-[Bis(4,7-dihydroxy-2-oxochromen-3-yl)methyl]phenyl]-(4,7-dihydroxy-2-oxochromen-3-yl)methyl]-4,7-dihydroxychromen-2-one","","C1=CC(=CC=C1C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O)C(C6=C(C7=C(C=C(C=C7)O)OC6=O)O)C8=C(C9=C(C=C(C=C9)O)OC8=O)O","ONHNUQYOYCJHED-UHFFFAOYSA-N","54680449",NA,"PDBC21659","682613","Present"
-"3-[4-[(1Z)-1-[1-(4-Bromophenyl)-2-(2-chloro-5-nitrophenyl)-5-oxoimidazol-4-ylidene]ethyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[4-[(1Z)-1-[1-(4-Bromophenyl)-2-(2-chloro-5-nitrophenyl)-5-oxoimidazol-4-ylidene]ethyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=C2C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)Br)C","VJTQQVLQQOABSX-RRAHZORUSA-N","3004303",NA,"PDBC21660","643740","Present"
-"3-[4-[(2-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[(2-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methylphenyl)-3-oxopropanamide","","CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3C)C","BQJLMWGWNBUCGP-UHFFFAOYSA-N","386796",NA,"PDBC21661","679504","Present"
-"3-[4-[(3-Chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-[(3-Chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(C(C4=O)Cl)C5=CC=CS5","UDWLPMMZHQGEGO-UHFFFAOYSA-N","401283",NA,"PDBC21662","714538","Present"
-"3-[4-[(5-Hydroxynaphthalen-1-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[4-[(5-Hydroxynaphthalen-1-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)N=NC4=CC=CC5=C4C=CC=C5O","QKXYBSZYTXCELV-UHFFFAOYSA-N","135426749",NA,"PDBC21663","716036","Present"
-"3-[4-[(6-Hydroxynaphthalen-1-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[4-[(6-Hydroxynaphthalen-1-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)N=NC4=CC=CC5=C4C=CC(=C5)O","WUSCGUWAUJHDIH-UHFFFAOYSA-N","5472021",NA,"PDBC21664","716035","Present"
-"3-[4-[(Z)-[1-(4-Chlorophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[4-[(Z)-[1-(4-Chlorophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=C(C=C4)Cl","ITSQNWRVOSZRMQ-QOMWVZHYSA-N","5469990",NA,"PDBC21665","695302","Present"
-"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(2-methoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(2-methoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4OC","FWMKECHRIXPLQY-ITYLOYPMSA-N","6477147",NA,"PDBC21666","640079","Present"
-"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(2-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(2-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","CC1=CC=CC=C1N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","KDIBBBGDSOSEJZ-ITYLOYPMSA-N","5884855",NA,"PDBC21667","637919","Present"
-"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-chlorophenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-chlorophenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC(=CC=C4)Cl","DYQKZIIDINFTMG-YUMHPJSZSA-N","6477149",NA,"PDBC21668","640081","Present"
-"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-methoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-methoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","COC1=CC=CC(=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","USLGWFPQIHJJBY-PKAZHMFMSA-N","5842580",NA,"PDBC21669","637918","Present"
-"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile","","CC1=CC(=CC=C1)N2C(=NC(=CC3=C(C=C(C=C3)N(CCC#N)CCC#N)C)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","ASMQSVPFLBCFQD-VEILYXNESA-N","5931715",NA,"PDBC21670","640077","Present"
-"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(4-ethoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(4-ethoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","CCOC1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","KVJMMJMONKEMGQ-USHMODERSA-N","5935964",NA,"PDBC21671","640675","Present"
-"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(4-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(4-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile","","CC1=CC=C(C=C1)N2C(=NC(=CC3=C(C=C(C=C3)N(CCC#N)CCC#N)C)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","JAUOMJPROXMKGB-VEILYXNESA-N","5903786",NA,"PDBC21672","640078","Present"
-"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[4-[(E)-[2-(2-Chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N(CCC#N)CCC#N","QASRRVDNZSJTFB-MOSHPQCFSA-N","6516747",NA,"PDBC21673","637916","Present"
-"3-[4-[({Z})-1-(4-Chlorophenyl)-2-(4-methoxyphenyl)but-1-enyl]phenoxy]-{N},{N}-dimethyl-propan-1-amine","","","","","","","","","","","","","","","","","","","","3-[4-[({Z})-1-(4-chlorophenyl)-2-(4-methoxyphenyl)but-1-...","","CCC(=C(C1=CC=C(C=C1)OCCCN(C)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC","GUHQXKIKTJPSLP-BYYHNAKLSA-N","155806144",NA,"PDBC21674","802718","Present"
-"3-[4-[2,3-Dihydroxy-3-[4-[3-(trimethylazaniumyl)propoxy]phenyl]butan-2-yl]phenoxy]propyl-trimethylazanium;bromide","","","","","","","","","","","","","","","","","","","","3-[4-[2,3-Dihydroxy-3-[4-[3-(trimethylazaniumyl)propoxy]phenyl]butan-2-yl]phenoxy]propyl-trimethylazanium;bromide","","CC(C1=CC=C(C=C1)OCCC[N+](C)(C)C)(C(C)(C2=CC=C(C=C2)OCCC[N+](C)(C)C)O)O.[Br-]","PVBOGXCDAWEWKP-UHFFFAOYSA-M","367864",NA,"PDBC21675","638031","Present"
-"3-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C","UWSSOUWBBVTGHS-UHFFFAOYSA-N","276877",NA,"PDBC21676","125348","Present"
-"3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-(4-bromophenyl)propan-1-ol;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-(4-bromophenyl)propan-1-ol;(Z)-but-2-enedioic acid","","C1CN(CCN1CCC(C2=CC=C(C=C2)Br)O)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O","LHMKXQGONBMEBB-BTJKTKAUSA-N","5471964",NA,"PDBC21677","715599","Present"
-"3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid","","C1CN(CCN1CCC(C2=CC=CC=C2)O)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O","QPVIISQNMLAMGQ-BTJKTKAUSA-N","5471961",NA,"PDBC21678","715596","Present"
-"3-[4-[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with m-[4-[m-(4,6-diamino-2,...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=CC=C3)S(=O)(=O)F)N)N)C","IJKCUMMCYLPXPS-UHFFFAOYSA-N","277387",NA,"PDBC21679","126228","Present"
-"3-[4-[3-Chloro-2-(3-chlorophenyl)-4-oxoazetidin-1-yl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","3-[4-[3-Chloro-2-(3-chlorophenyl)-4-oxoazetidin-1-yl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)N4C(C(C4=O)Cl)C5=CC(=CC=C5)Cl","JLSMKKTURMJQEA-UHFFFAOYSA-N","5472397",NA,"PDBC21680","718381","Present"
-"3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-[(E)-styryl]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-[(E)-styryl]thiazolidin-4-one","","C1C(=O)N(C(S1)C=CC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","OEFHCAWGRLRQHL-BUVRLJJBSA-N","6283154",NA,"PDBC21681","674560","Present"
-"3-[4-[5-Oxo-6-(3-oxopentyl)imidazo[2,1-c][1,2,4]triazol-3-yl]butyl]-6-(3-oxopentyl)imidazo[2,1-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","3,3'-Butane-1,4-diylbis[6-(3-oxopentyl)-5H-imidazo[2,1-c][1,2,4]triazol-5-one]","","CCC(=O)CCC1=NC2=NN=C(N2C1=O)CCCCC3=NN=C4N3C(=O)C(=N4)CCC(=O)CC","NFJMPIGOBXSFJF-UHFFFAOYSA-N","367013",NA,"PDBC21682","636340","Present"
-"3-[4-[Diethoxyphosphoryl(difluoro)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[4-[Diethoxyphosphoryl(difluoro)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid","","CCOP(=O)(C(C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)(F)F)OCC","CYIRYOABMSXHDK-UHFFFAOYSA-N","378899",NA,"PDBC21683","662312","Present"
-"3-[4-[[3-Chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid","","","","","","","","","","","","","","","","","","","","3-[4-[[3-Chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(C(C4=O)Cl)C5=CC=CC=C5O","HEIWURDXGHJCIT-UHFFFAOYSA-N","401280",NA,"PDBC21684","714535","Present"
-"3-[4-[[4-[4-[[1-[3-(2-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-chlorophenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[[4-[4-[[1-[3-(2-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-chlorophenyl)-3-oxopropanamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C(=O)CC(=O)NC5=CC=CC=C5Cl)C)C(=O)CC(=O)NC6=CC=CC=C6Cl","GRDJGKGOFBCOEO-UHFFFAOYSA-N","385922",NA,"PDBC21685","677385","Present"
-"3-[4-[[4-[4-[[1-[3-(3-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(3-chlorophenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[[4-[4-[[1-[3-(3-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(3-chlorophenyl)-3-oxopropanamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C(=O)CC(=O)NC5=CC(=CC=C5)Cl)C)C(=O)CC(=O)NC6=CC(=CC=C6)Cl","WNXIJIPKGDMBAN-UHFFFAOYSA-N","385923",NA,"PDBC21686","677386","Present"
-"3-[4-[[4-[4-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[[4-[4-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C(=O)CC(=O)NC5=CC(=CC=C5)OC)C)C(=O)CC(=O)NC6=CC(=CC=C6)OC","LZRQRRSLSVSMLZ-UHFFFAOYSA-N","385928",NA,"PDBC21687","677391","Present"
-"3-[4-[[4-[4-[[1-[3-(4-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-chlorophenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[[4-[4-[[1-[3-(4-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-chlorophenyl)-3-oxopropanamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C(=O)CC(=O)NC5=CC=C(C=C5)Cl)C)C(=O)CC(=O)NC6=CC=C(C=C6)Cl","OTMIPYWBWFHOEW-UHFFFAOYSA-N","385924",NA,"PDBC21688","677387","Present"
-"3-[4-[[4-[4-[[1-[3-(4-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[[4-[4-[[1-[3-(4-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-3-oxopropanamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C(=O)CC(=O)NC5=CC=C(C=C5)OC)C)C(=O)CC(=O)NC6=CC=C(C=C6)OC","BIIOLFWQCLKOSV-UHFFFAOYSA-N","385929",NA,"PDBC21689","677392","Present"
-"3-[4-methoxyphenyl(imidazolidinil-1)]methane","","","","","","","","","","","","","","","","","","","","3-[4-methoxyphenyl(imidazolidinil-1)]methane","","COC1=CC=C(C=C1)N2CCN(C2)CN3CCN(C3)C4=CC=C(C=C4)OC","MKFDWUIPXPISCN-UHFFFAOYSA-N","6482347",NA,"PDBC21690","732250","Present"
-"3-[4]Quinolyl-2-hydroxyimino-propionic acid","","","","","","","","","","","","","","","","","","","","(2Z)-2-Hydroxyimino-3-quinolin-4-ylpropanoic acid","","C1=CC=C2C(=C1)C(=CC=N2)CC(=NO)C(=O)O","RQUIQZCARLEUHE-KAMYIIQDSA-N","6399128",NA,"PDBC21691","85359","Present"
-"3-[5,6-Bis(methylsulfanyl)-3-oxo-1,2,4-triazin-2-yl]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[5,6-Bis(methylsulfanyl)-3-oxo-1,2,4-triazin-2-yl]propanenitrile","","CSC1=NC(=O)N(N=C1SC)CCC#N","SOBJIRNJYUBYHI-UHFFFAOYSA-N","355930",NA,"PDBC21692","610686","Present"
-"3-[5-(1-Adamantylamino)-1,3,4-thiadiazol-2-yl]-1,1-dimethylthiourea;perchloric acid","","","","","","","","","","","","","","","","","","","","3-[5-(1-Adamantylamino)-1,3,4-thiadiazol-2-yl]-1,1-dimethylthiourea;perchloric acid","","CN(C)C(=S)NC1=NN=C(S1)NC23CC4CC(C2)CC(C4)C3.OCl(=O)(=O)=O","CXMIBXUKZSXCMO-UHFFFAOYSA-N","24202069",NA,"PDBC21693","622590","Present"
-"3-[5-(1H-Indol-3-yl)pyrazin-2-yl]-1H-indole","","","","","","","","","","","","","","","","","","","","3-[5-(1H-Indol-3-yl)pyrazin-2-yl]-1H-indole","","C1=CC=C2C(=C1)C(=CN2)C3=CN=C(C=N3)C4=CNC5=CC=CC=C54","KENUOBFZYLZIHY-UHFFFAOYSA-N","396515",NA,"PDBC21694","702755","Present"
-"3-[5-(Butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","3-[5-(Butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate","","CCCCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)NCCCCCCNC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCCCC","WIHGURALTYKUFI-UHFFFAOYSA-N","364907",NA,"PDBC21695","631735","Present"
-"3-[5-(Cyclohexylamino)-1,3,4-thiadiazol-2-yl]-7-methyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","3-[5-(Cyclohexylamino)-1,3,4-thiadiazol-2-yl]-7-methyl-1H-1,8-naphthyridin-4-one","","CC1=NC2=C(C=C1)C(=O)C(=CN2)C3=NN=C(S3)NC4CCCCC4","JDAZQAOJCPPENO-UHFFFAOYSA-N","135426675",NA,"PDBC21696","706819","Present"
-"3-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","3-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)NCCCCCCNC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","WTNVAJZSWJKDEY-UHFFFAOYSA-N","361873",NA,"PDBC21697","625195","Present"
-"3-[5-Amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazin-5-one","","","","","","","","","","","","","","","","","","","","3-[5-Amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazin-5-one","","C1=COC(=C1)C=CC2=NN=C(NC2=O)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N","PJEJGBLYEARDOH-BQYQJAHWSA-N","135968229",NA,"PDBC21698","748494","Present"
-"3-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-6,8-dibromo-2-methylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","6,8-Dibromo-2-methyl-3-[5?-amino6?(2?,3??-dichlorophenyl...","","CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=NC(=C(N=N3)C4=C(C(=CC=C4)Cl)Cl)N","LGIDCUZTCRKVTG-UHFFFAOYSA-N","24204732",NA,"PDBC21699","732567","Present"
-"3-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-6,8-dibromo-2-phenylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","6,8-Dibromo-2-phenyl-3-[5?-amino6?(2??,3??-dichloropheny...","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3Br)Br)C(=O)N2C4=NC(=C(N=N4)C5=C(C(=CC=C5)Cl)Cl)N","OGIVUQPWHFTLAU-UHFFFAOYSA-N","24204733",NA,"PDBC21700","732568","Present"
-"3-[5-[2-[4-[4-[5-[2-(3-Cyanophenyl)-1,3-dioxo-isoindoline-5-carbonyl]-1,3-dioxo-isoindolin-2-yl]phenoxy]phenyl]-1,3-dioxo-isoindoline-5-carbonyl]-1,3-dioxo-indan-2-yl]benzonitrile","","","","","","","","","","","","","","","","","","","","3-[5-[2-[4-[4-[5-[2-(3-Cyanophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoinden-2-yl]benzonitrile","","C1=CC(=CC(=C1)C2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)OC7=CC=C(C=C7)N8C(=O)C9=C(C8=O)C=C(C=C9)C(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC=CC(=C1)C#N)C#N","HGXCJEIDLJPTNO-UHFFFAOYSA-N","16129765",NA,"PDBC21701","633249","Present"
-"3-[5-[4-[4-[2-(3-Cyanophenyl)-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl]phenyl]sulfanylphenyl]-1,3-dioxo-4,6,7-triphenyl-isoindolin-2-yl]benzonitrile","","","","","","","","","","","","","","","","","","","","3,3'-(6,6'-(4,4'-thiobis(4,1-phenylene))bis(1,3-dioxo-4,...","","C1=CC=C(C=C1)C2=C(C3=C(C(=C2C4=CC=C(C=C4)SC5=CC=C(C=C5)C6=C(C7=C(C(=C6C8=CC=CC=C8)C9=CC=CC=C9)C(=O)N(C7=O)C1=CC=CC(=C1)C#N)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N(C3=O)C1=CC=CC(=C1)C#N)C1=CC=CC=C1","VEPYENJITXQEIM-UHFFFAOYSA-N","16129764",NA,"PDBC21702","633248","Present"
-"3-[6,13-Dichloro-3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[6,13-Dichloro-3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one","","C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC4=C(C=C3)N=C5C(=C(C6=NC7=C(C=C(C=C7)N8C(SCC8=O)C9=CC=CC=C9O)OC6=C5Cl)Cl)O4","FPEDOGBHCJYZEI-UHFFFAOYSA-N","400979",NA,"PDBC21703","713672","Present"
-"3-[6,13-Dichloro-3-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","3-[6,13-Dichloro-3-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidin-4-one","","CCOC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC4=C(C=C3)N=C5C(=C(C6=NC7=C(C=C(C=C7)N8C(SCC8=O)C9=CC(=C(C=C9)O)OCC)OC6=C5Cl)Cl)O4)O","RGLGTQXNYMVLFA-UHFFFAOYSA-N","400980",NA,"PDBC21704","713673","Present"
-"3-[6-(2-Amino-ethyl)-dibenzofuran-4-yl]-N-isobutyl-propionamide","","","","","","","","","","","","","","","","","","","","3-[6-(2-Amino-ethyl)-dibenzofuran-4-yl]-N-isobutyl-propionamide","","CC(C)CNC(=O)CCC1=C2C(=CC=C1)C3=CC=CC(=C3O2)CCN","YTCNYFLFSXWAPC-UHFFFAOYSA-N","380926",NA,"PDBC21705","666712","Present"
-"3-[6-(2-Carboxyethyl)dibenzofuran-4-yl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[6-(2-Carboxyethyl)dibenzofuran-4-yl]propanoic acid","","C1=CC(=C2C(=C1)C3=CC=CC(=C3O2)CCC(=O)O)CCC(=O)O","VMOREDRCSHIRTH-UHFFFAOYSA-N","375820",NA,"PDBC21706","655984","Present"
-"3-[6-(3-Methylbut-2-enylamino)purin-9-yl]propanenitrile","","","","","","","","","","","","","","","","","","","","1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-cyanoethyl)-","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC#N)C","VWDAYOHDHUOCLA-UHFFFAOYSA-N","383738",NA,"PDBC21707","672176","Present"
-"3-[6-(3-Methylbut-2-enylamino)purin-9-yl]propanoic acid","","","","","","","","","","","","","","","","","","","","1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-carboxyeth...","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)O)C","UKBRJXMGUKBDLF-UHFFFAOYSA-N","383737",NA,"PDBC21708","672175","Present"
-"3-[6-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)hexyl]-5,5-dimethylimidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","2,4-Imidazolidinedione, 3,3'-(1,6-hexanediyl)bis[5,5-dim...","","CC1(C(=O)N(C(=O)N1)CCCCCCN2C(=O)C(NC2=O)(C)C)C","XEZOLQPJVQQSAG-UHFFFAOYSA-N","342023",NA,"PDBC21709","376791","Present"
-"3-[6-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[6-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one","","COC1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC5=CC=CC=C5OC4=O","WWPDWKGWRGAPEM-UHFFFAOYSA-N","388291",NA,"PDBC21710","682932","Present"
-"3-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol","","","","","","","","","","","","","","","","","","","","3-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol","","C1=CC(=CC(=C1)O)C2=CN3C=C(C=CC3=N2)C(F)(F)F","GKPCPOYJDIZXPA-UHFFFAOYSA-N","398313",NA,"PDBC21711","708027","Present"
-"3-[6-Bromo-3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[6-Bromo-3-(2-hydroxyethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanenitrile","","C1=CC2=C(C=C1Br)C(=O)N(C(=N2)CCC#N)CCO","VGHSZGZMFDMBAW-UHFFFAOYSA-N","369097",NA,"PDBC21712","640654","Present"
-"3-[6-Bromo-3-(4-hydroxy-3-nitrophenyl)-4-oxoquinazolin-2-yl]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[6-Bromo-3-(4-hydroxy-3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanenitrile","","C1=CC(=C(C=C1N2C(=NC3=C(C2=O)C=C(C=C3)Br)CCC#N)[N+](=O)[O-])O","LLVDWEPHMMHOJA-UHFFFAOYSA-N","369095",NA,"PDBC21713","640652","Present"
-"3-[6-Methoxy-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole","","","","","","","","","","","","","","","","","","","","3-[6-Methoxy-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CC(=NC(=N4)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=C(C=C7)C)OC","ALKGPGIAFUSYDZ-UHFFFAOYSA-N","400427",NA,"PDBC21714","712006","Present"
-"3-[7-((1E,3E)Penta-1,3-dienyl)-1-benzothiazol-2-yl-3-chloro-2-oxo-1,5,6-triaza spiro[3.4]oct-6-en-5-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","CC=CC=CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O","PIRADKYJXAYBLE-CRBCFSCISA-N","5470713",NA,"PDBC21715","704641","Present"
-"3-[7-(5-Oxo-6-phenacyl-imidazo[2,1-c][1,2,4]triazol-3-yl)heptyl]-6-phenacyl-imidazo[2,1-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[7-(5-Oxo-6-phenacylimidazo[2,1-c][1,2,4]triazol-3-yl)heptyl]-6-phenacylimidazo[2,1-c][1,2,4]triazol-5-one","","C1=CC=C(C=C1)C(=O)CC2=NC3=NN=C(N3C2=O)CCCCCCCC4=NN=C5N4C(=O)C(=N5)CC(=O)C6=CC=CC=C6","ZZSIXILZILTFBD-UHFFFAOYSA-N","362246",NA,"PDBC21716","625850","Present"
-"3-[7-[5-Oxo-6-[2-oxo-2-(p-tolyl)ethyl]imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]-6-[2-oxo-2-(p-tolyl)ethyl]imidazo[2,1-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","6-[2-(4-Methylphenyl)-2-oxoethyl]-3-[7-[6-[2-(4-methylphenyl)-2-oxoethyl]-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one","","CC1=CC=C(C=C1)C(=O)CC2=NC3=NN=C(N3C2=O)CCCCCCCC4=NN=C5N4C(=O)C(=N5)CC(=O)C6=CC=C(C=C6)C","NDPWTKVYCANXMB-UHFFFAOYSA-N","362249",NA,"PDBC21717","625853","Present"
-"3-[8-(4-Amino-5-hydrazino-1,2,4-triazol-3-yl)octyl]-5-hydrazino-1,2,4-triazol-4-amine","","","","","","","","","","","","","","","","","","","","3-[8-(4-Amino-5-hydrazino-1,2,4-triazol-3-yl)octyl]-5-hydrazino-1,2,4-triazol-4-amine","","C(CCCCC1=NN=C(N1N)NN)CCCC2=NN=C(N2N)NN","OMQKBBRUTWVHCJ-UHFFFAOYSA-N","394057",NA,"PDBC21718","697175","Present"
-"3-[8-(6,7-Diphenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)octyl]-6,7-diphenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","3-[8-(6,7-Diphenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)octyl]-6,7-diphenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","C1=CC=C(C=C1)C2=C(SC3=NN=C(N3N2)CCCCCCCCC4=NN=C5N4NC(=C(S5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","WEEBVKKSQDDMNU-UHFFFAOYSA-N","395657",NA,"PDBC21719","700439","Present"
-"3-[8-(6-Anilino-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl]-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine","","","","","","","","","","","","","","","","","","","","3-[8-(6-Anilino-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl]-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine","","C1=CC=C(C=C1)NC2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)NC6=CC=CC=C6","VFXGYUCKBRMGPJ-UHFFFAOYSA-N","395659",NA,"PDBC21720","700441","Present"
-"3-[8-(6-Oxo-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)octyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one","","","","","","","","","","","","","","","","","","","","3-[8-(6-Oxo-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)octyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one","","C1C(=O)NN2C(=NN=C2S1)CCCCCCCCC3=NN=C4N3NC(=O)CS4","RKUNVAUSIPLTTG-UHFFFAOYSA-N","395658",NA,"PDBC21721","700440","Present"
-"3-[8-(6-Thioxo-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione","","","","","","","","","","","","","","","","","","","","3-[8-(6-Sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione","","C(CCCCC1=NN=C2N1NC(=S)S2)CCCC3=NN=C4N3NC(=S)S4","MPOOMERQSHBQMG-UHFFFAOYSA-N","3005440",NA,"PDBC21722","700444","Present"
-"3-[8-(Tritylthio)octyl]-10-ethylbenzo[g]pteridine-2,4(3H,10H)-dione","","","","","","","","","","","","","","","","","","","","3-[8-(Tritylthio)octyl]-10-ethylbenzo[g]pteridine-2,4(3H,10H)-dione","","CCN1C2=CC=CC=C2N=C3C1=NC(=O)N(C3=O)CCCCCCCCSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","TUGPXUWGMWKRPZ-UHFFFAOYSA-N","400770",NA,"PDBC21723","713201","Present"
-"3-[8-[4-Amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]octyl]-5-(phenoxymethyl)-1,2,4-triazol-4-amine","","","","","","","","","","","","","","","","","","","","3-[8-[4-Amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]octyl]-5-(phenoxymethyl)-1,2,4-triazol-4-amine","","C1=CC=C(C=C1)OCC2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)COC4=CC=CC=C4","JINXHBZHRLEDRG-UHFFFAOYSA-N","394042",NA,"PDBC21724","697160","Present"
-"3-[8-[4-Amino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-4-amine","","","","","","","","","","","","","","","","","","","","3-[8-[4-amino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-4-amine","","C1=CC(=C(C=C1Cl)Cl)OCC2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)COC4=C(C=C(C=C4)Cl)Cl","IUCBPPSDEQOVHN-UHFFFAOYSA-N","394046",NA,"PDBC21725","697164","Present"
-"3-[8-[4-Amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine","","","","","","","","","","","","","","","","","","","","3-[8-[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine","","C1=CC(=CC=C1OCC2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)COC4=CC=C(C=C4)Cl)Cl","NASDCQVYKOBYIL-UHFFFAOYSA-N","394043",NA,"PDBC21726","697161","Present"
-"3-[8-[4-Anilino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]octyl]-5-(phenoxymethyl)-N-phenyl-1,2,4-triazol-4-amine","","","","","","","","","","","","","","","","","","","","4H-1,2,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-(ph...","","C1=CC=C(C=C1)NN2C(=NN=C2COC3=CC=CC=C3)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=CC=CC=C6","WUGBJQZFEUEUFD-UHFFFAOYSA-N","394047",NA,"PDBC21727","697165","Present"
-"3-[8-[4-Anilino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine","","","","","","","","","","","","","","","","","","","","4H-1,2,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(2...","","C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C=C(C=C3)Cl)Cl)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=C(C=C(C=C6)Cl)Cl","VCMQJXCLTUZMHR-UHFFFAOYSA-N","394051",NA,"PDBC21728","697169","Present"
-"3-[8-[4-Anilino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine","","","","","","","","","","","","","","","","","","","","4H-1,2,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(4...","","C1=CC=C(C=C1)NN2C(=NN=C2COC3=CC=C(C=C3)Cl)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=CC=C(C=C6)Cl","RQIVURUKFMFAAP-UHFFFAOYSA-N","394048",NA,"PDBC21729","697166","Present"
-"3-[8-[6-(4-Chloroanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-N-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine","","","","","","","","","","","","","","","","","","","","3-[8-[6-(4-Chloroanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-N-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine","","C1=CC(=CC=C1NC2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)NC6=CC=C(C=C6)Cl)Cl","CUHCBIQTRVLAJG-UHFFFAOYSA-N","395660",NA,"PDBC21730","700442","Present"
-"3-[9H-2-Fluorenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-4-hydroxy-2H-2-chromenone","","","","","","","","","","","","","","","","","","","","3-[9H-2-Fluorenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-4-hydroxy-2H-2-chromenone","","C1C2=CC=CC=C2C3=C1C=C(C=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O","ISHMDZQJPXVGLT-UHFFFAOYSA-N","54714088",NA,"PDBC21731","686381","Present"
-"3-[9H-Fluoren-9-yl(hydroxy)methyl]tetrahydrofuran-2-one","","","","","","","","","","","","","","","","","","","","3-(9H-Fluoren-9-yl(hydroxy)methyl)dihydro-2(3H)-furanone","","C1COC(=O)C1C(C2C3=CC=CC=C3C4=CC=CC=C24)O","GQQADQLODLQGSB-UHFFFAOYSA-N","366016",NA,"PDBC21732","634189","Present"
-"3-[?]ylpropanoic acid","","","","","","","","","","","","","","","","","","","","3-[?]ylpropanoic acid","","C1CC2=C3C(=CC=C2)OC=C3C1CCC(=O)O","UGOKXWIGENSUOJ-UHFFFAOYSA-N","361682",NA,"PDBC21733","624900","Present"
-"3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-1-phenyl-pyrrolidine-2,5-dione","","","","","","","","","","","","","","","","","","","","3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-1-phenyl-pyrrolidine-2,5-dione","","CC(=C1C(=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C(=O)N(C1=O)C4=CC=CC=C4)C","HZVZOIAQIBQJMQ-UHFFFAOYSA-N","395502",NA,"PDBC21734","700144","Present"
-"3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-tetrahydrofuran-2,5-dione","","","","","","","","","","","","","","","","","","","","3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-tetrahydrofuran-2,5-dione","","CC(=C1C(=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C(=O)OC1=O)C","AQYNSYRKHHCPQT-UHFFFAOYSA-N","395501",NA,"PDBC21735","700143","Present"
-"3-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione","","","","","","","","","","","","","","","","","","","","3-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione","","CN1C=C(C2=C1C(=O)C=C(C2=O)OC)COP(=O)(N(C)CCBr)N(C)CCBr","NQSXPHLHXDBWLU-UHFFFAOYSA-N","403578",NA,"PDBC21736","718631","Present"
-"3-[Hydroxy(diphenyl)methyl]-1-methylazepan-2-one","","","","","","","","","","","","","","","","","","","","3-[Hydroxy(diphenyl)methyl]-1-methylazepan-2-one","","CN1CCCCC(C1=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O","TXISTBPTBHCNLE-UHFFFAOYSA-N","224701",NA,"PDBC21737","13413","Present"
-"3-[Hydroxy(phenyl)methyl]-4-methoxyphenol","","","","","","","","","","","","","","","","","","","","3-[Hydroxy(phenyl)methyl]-4-methoxyphenol","","COC1=C(C=C(C=C1)O)C(C2=CC=CC=C2)O","LPDCCORFMGTDFO-UHFFFAOYSA-N","358266",NA,"PDBC21738","618209","Present"
-"3-[Methyl-[(E)-(4-nitrophenyl)azo]amino]-1-phenyl-butan-2-ol","","","","","","","","","","","","","","","","","","","","3-[Methyl-(4-nitrophenyl)azo-amino]-1-phenyl-butan-2-ol","","CC(C(CC1=CC=CC=C1)O)N(C)N=NC2=CC=C(C=C2)[N+](=O)[O-]","GTBBQYABAALZEK-UHFFFAOYSA-N","388606",NA,"PDBC21739","683614","Present"
-"3-[Methyl-[(E)-p-tolylazo]amino]-1-phenyl-butan-2-ol","","","","","","","","","","","","","","","","","","","","3-[Methyl-[(E)-p-tolylazo]amino]-1-phenyl-butan-2-ol","","CC1=CC=C(C=C1)N=NN(C)C(C)C(CC2=CC=CC=C2)O","VVNKOIGMSSUKMZ-UHFFFAOYSA-N","388609",NA,"PDBC21740","683617","Present"
-"3-[N-(2-Chlorophenyl)-C-methylcarbonimidoyl]-6-methylpyran-2,4-dione","","","","","","","","","","","","","","","","","","","","3-[N-(2-Chlorophenyl)-C-methylcarbonimidoyl]-6-methylpyran-2,4-dione","","CC1=CC(=O)C(C(=O)O1)C(=NC2=CC=CC=C2Cl)C","DYTDUQSKICCVIN-UHFFFAOYSA-N","233841",NA,"PDBC21741","32892","Present"
-"3-[N-(2-Cyanoethyl)-3-methyl-4-[(Z)-[2-oxo-6-[(E)-2-phenylethenyl]-1,3,5-oxadiazin-4-ylidene]methyl]anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[N-(2-Cyanoethyl)-3-methyl-4-[(Z)-[2-oxo-6-[(E)-2-phenylethenyl]-1,3,5-oxadiazin-4-ylidene]methyl]anilino]propanenitrile","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2NC(=O)OC(=N2)C=CC3=CC=CC=C3","ZQLVUHYJQDNSCP-FKECCLLJSA-N","5817610",NA,"PDBC21742","645677","Present"
-"3-[N-(2-Cyanoethyl)-4-[(4-methoxyphenyl)iminomethyl]anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[N-(2-Cyanoethyl)-4-[(4-methoxyphenyl)iminomethyl]anilino]propanenitrile","","COC1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)CCC#N","ZBUQTHHDOXDXHP-UHFFFAOYSA-N","359415",NA,"PDBC21743","620278","Present"
-"3-[N-(2-Cyanoethyl)-4-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[N-(2-Cyanoethyl)-4-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]anilino]propanenitrile","","C1=CC=C(C=C1)C2=CSC(=N2)N=CC3=CC=C(C=C3)N(CCC#N)CCC#N","MSFIHEKOJIPLNC-XYGWBWBKSA-N","5907853",NA,"PDBC21744","620281","Present"
-"3-[N-(2-Cyanoethyl)-4-[(Z)-(5-oxo-1,2-diphenylimidazol-4-ylidene)methyl]anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[N-(2-Cyanoethyl)-4-[(Z)-(5-oxo-1,2-diphenylimidazol-4-ylidene)methyl]anilino]propanenitrile","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=CC=C4","NMSNVNLTVZSUAG-QLYXXIJNSA-N","5469989",NA,"PDBC21745","695301","Present"
-"3-[N-(2-Cyanoethyl)-4-[(Z)-(5-oxo-2-phenyl-1-pyridin-2-ylimidazol-4-ylidene)methyl]anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[N-(2-Cyanoethyl)-4-[(Z)-(5-oxo-2-phenyl-1-pyridin-2-ylimidazol-4-ylidene)methyl]anilino]propanenitrile","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=CC=N4","NSZFVRXMUOVWEJ-GFMRDNFCSA-N","5469997",NA,"PDBC21746","695309","Present"
-"3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=C(C=C4)N(CCC#N)CCC#N)C3=O)C5=CC=CC=C5","PLQKSBPGBSUBMF-FAJYDZGRSA-N","5469996",NA,"PDBC21747","695308","Present"
-"3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(2,4-dimethoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(2,4-dimethoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile","","COC1=CC(=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=CC=CC=C4)OC","AKUPYLFIKSGZOY-QOMWVZHYSA-N","5469993",NA,"PDBC21748","695305","Present"
-"3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(4-fluorophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(4-fluorophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=C(C=C4)F","ZOTSPDQXBLNGBU-QOMWVZHYSA-N","5469991",NA,"PDBC21749","695303","Present"
-"3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile","","COC1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=CC=CC=C4","QNQGZUPGDGSAOD-MEFGMAGPSA-N","5469992",NA,"PDBC21750","695304","Present"
-"3-[N-(2-Cyanoethyl)-4-[(Z)-[2-[(2,4-dichlorophenoxy)methyl]-1-(4-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]anilino]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[N-(2-Cyanoethyl)-4-[(Z)-[2-[(2,4-dichlorophenoxy)methyl]-1-(4-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]anilino]propanenitrile","","CC1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)COC4=C(C=C(C=C4)Cl)Cl","HRCIFKFXGDARFG-IMRQLAEWSA-N","5912538",NA,"PDBC21751","644471","Present"
-"3-[Tert-butyl(dimethyl)silyl]oxy-2-(2-pyridyl)tetrahydrofuran-2-ol","","","","","","","","","","","","","","","","","","","","3-[Tert-butyl(dimethyl)silyl]oxy-2-(2-pyridyl)tetrahydrofuran-2-ol","","CC(C)(C)[Si](C)(C)OC1CCOC1(C2=CC=CC=N2)O","PUSAAHHPPYTCSM-UHFFFAOYSA-N","389896",NA,"PDBC21752","686532","Present"
-"3-[Tert-butyl(diphenyl)silyl]oxyoxolan-2-one","","","","","","","","","","","","","","","","","","","","9620-EP2308872A1","","CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CCOC3=O","FGDFCPQKZXVVEX-UHFFFAOYSA-N","357852",NA,"PDBC21753","617384","Present"
-"3-[[(1-Hydroxy-2-naphthyl)amino]methyl]-5-[8-[4-[[(1-hydroxy-2-naphthyl)amino]methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione","","","","","","","","","","","","","","","","","","","","3-[[(1-Hydroxynaphthalen-2-yl)amino]methyl]-5-[8-[4-[[(1-hydroxynaphthalen-2-yl)amino]methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione","","C1=CC=C2C(=C1)C=CC(=C2O)NCN3C(=S)OC(=N3)CCCCCCCCC4=NN(C(=S)O4)CNC5=C(C6=CC=CC=C6C=C5)O","QHIHDQLWUGTJOO-UHFFFAOYSA-N","394061",NA,"PDBC21754","697179","Present"
-"3-[[(1R,4As)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-chloro-5-methoxycyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","3-[[(1R,4As)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-chloro-5-methoxycyclohexa-2,5-diene-1,4-dione","","CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)Cl)CCCC2=C)C","MHDMYMGQUJRUSW-VGFITYGFSA-N","396513",NA,"PDBC21755","702734","Present"
-"3-[[(1R,8Aalpha)-1,2beta,4abeta-Trimethyl-5beta-[6-(tert-butoxycarbonylamino)hexanoyloxymethyl]decahydronaphthalene-1alpha-yl]methyl]-2-hydroxy-5-methoxy-2,5-cyclohexadiene-1,4-dione","","","","","","","","","","","","","","","","","","","","[(1S,4As,5R,6S,8aS)-5-[(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoat","","CC1CCC2(C(CCCC2C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)COC(=O)CCCCCNC(=O)OC(C)(C)C)C","LUGULHGEZSTGPG-HYVDHHNWSA-N","402194",NA,"PDBC21756","716061","Present"
-"3-[[(2-Hydroxy-1-naphthyl)amino]methyl]-5-[8-[4-[[(2-hydroxy-1-naphthyl)amino]methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione","","","","","","","","","","","","","","","","","","","","3-[[(2-Hydroxynaphthalen-1-yl)amino]methyl]-5-[8-[4-[[(2-hydroxynaphthalen-1-yl)amino]methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione","","C1=CC=C2C(=C1)C=CC(=C2NCN3C(=S)OC(=N3)CCCCCCCCC4=NN(C(=S)O4)CNC5=C(C=CC6=CC=CC=C65)O)O","KEVVZHRAMSVWBI-UHFFFAOYSA-N","394062",NA,"PDBC21757","697180","Present"
-"3-[[(2S)-7-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione","","","","","","","","","","","","","","","","","","","","Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dion...","","CC1C(C(C(C(O1)OC2C3C(C(OC2OC4=CC=CC5=C4C6=C7C8=C(C=CC(=C8C(=O)O6)C)OC(=O)C7=C5O)C)OC(O3)C9=CC=CC=C9)O)OC)O","XVSHGAAPBNVZEJ-YTTHPEARSA-N","5388861",NA,"PDBC21758","639831","Present"
-"3-[[(3S,8R,10R,13S,17E)-17-(2-Cyanoethoxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]propanenitrile","","","","","","","","","","","","","","","","","","","","3-[[(3S,8R,10R,13S,17E)-17-(2-Cyanoethoxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]propanenitrile","","CC12CCC3C(C1CCC2=NOCCC#N)CC=C4C3(CCC(C4)OCCC#N)C","AGLFPKUPDNYHTN-ATPKZKKUSA-N","9569957",NA,"PDBC21759","629226","Present"
-"3-[[(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-1-methylpyrazolo[1,5-a]indol-1-ium-2-yl]carbamoylamino]propyl-trimethylazanium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","4-(4-Dimethylaminobenzyliden-1-methyl-2-[N'-(3-trimethyl...","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)NC(=O)NCCC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]","NAJFCNNHHYEWOY-XTMYEIJHSA-O","5472695",NA,"PDBC21760","720793","Present"
-"3-[[(5,6,7,8-Tetrahydronaphthalene-2-yl)oxy]methyl]-6-(2-hydroxy-5-chlorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","4-Chloro-2-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenol","","C1CCC2=C(C1)C=CC(=C2)OCC3=NN=C4N3N=C(CS4)C5=C(C=CC(=C5)Cl)O","NHCROEAXFXFFMC-UHFFFAOYSA-N","402901",NA,"PDBC21761","717218","Present"
-"3-[[(E)-[2-(1,3-Dioxoisoindolin-2-yl)-1-methyl-ethylidene]amino]sulfamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","3-[[(E)-[2-(1,3-Dioxoisoindolin-2-yl)-1-methyl-ethylidene]amino]sulfamoyl]benzoic acid","","CC(=NNS(=O)(=O)C1=CC=CC(=C1)C(=O)O)CN2C(=O)C3=CC=CC=C3C2=O","SARVTTPZBNPTSE-YBFXNURJSA-N","9555861",NA,"PDBC21762","643509","Present"
-"3-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide","","","","","","","","","","","","","","","","","","","","3-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide","","CN(C)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)NCCCO)NC(=O)C3=CC=CC=C3","MGGVELXUGLBXKY-BWAHOGKJSA-N","6477541",NA,"PDBC21763","686414","Present"
-"3-[[1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile","","","","","","","","","","","","","","","","","","","","3-[[1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile","","COC1=C(C=C(C=C1)N2C=C(N=C2SCC3=CC(=CC=C3)C#N)C4=CC(=C(C(=C4)OC)OC)OC)OC","GRAPVSUTNMYFDM-UHFFFAOYSA-N","45027924",NA,"PDBC21764","740131","Present"
-"3-[[1-[2-[[1-[1-(2-Aminoacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[1-[[1-[2-[[2-[(1-amino-5-methylsulfanyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","3-[[1-[2-[[1-[1-(2-Aminoacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[1-[[1-[2-[[2-[(1-amino-5-methylsulfanyl-1-oxopentan-2-yl)am","","CSCCCC(C(=O)N)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C4CCCN4C(=O)C(CC(=O)O)NC(=O)C5CCCN5C(=O)C6CCCN6C(=O)CN","OVWLVQFNMDDXAT-UHFFFAOYSA-N","398170",NA,"PDBC21765","707762","Present"
-"3-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxopyrazolidin-4-yl]diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","3-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxopyrazolidin-4-yl]diazenyl]benzoic acid","","CC1C(C(=O)N(N1)C(=O)CC(=O)NC2=CC(=CC=C2)OC)N=NC3=CC=CC(=C3)C(=O)O","TYEJEAXUAYHKNK-UHFFFAOYSA-N","357542",NA,"PDBC21766","617006","Present"
-"3-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-5-oxo-3-phenylpyrazolidin-4-yl]diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","3-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-5-oxo-3-phenylpyrazolidin-4-yl]diazenyl]benzoic acid","","COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(=O)C(C(N2)C3=CC=CC=C3)N=NC4=CC=CC(=C4)C(=O)O","AKGOVXFIVQEQNZ-UHFFFAOYSA-N","357543",NA,"PDBC21767","617007","Present"
-"3-[[1-[[2-[(2,4-Diamino-4-oxo-butanoyl)amino]-3-phenyl-propanoyl]amino]-2-phenyl-ethyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxo-propanoic acid","","","","","","","","","","","","","","","","","","","","3-[[1-[[2-[(2,4-Diamino-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-2-phenylethyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid","","C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)C(CC(=O)N)N","MNHAQCQVNUIAMJ-UHFFFAOYSA-N","383887",NA,"PDBC21768","672668","Present"
-"3-[[2,5-Dichloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione","","","","","","","","","","","","","","","","","","","","3-[[2,5-Dichloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione","","C1=C(C(=CC(=C1Cl)OCC2=NN=C3N2NC(=S)S3)Cl)OCC4=NN=C5N4NC(=S)S5","WWRCXWYAGRLPMB-UHFFFAOYSA-N","5472203",NA,"PDBC21769","716899","Present"
-"3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile","","","","","","","","","","","","","","","","","","","","3-((2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4 -l)met...","","C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)C#N","JTFFQGZOZGTMJE-UHFFFAOYSA-N","420881",NA,"PDBC21770","128580","Present"
-"3-[[2-(Tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[[2-(Tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]propanoic acid","","CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCC(=O)O","KDVDUAFCAVHBSP-UHFFFAOYSA-N","382303",NA,"PDBC21771","669765","Present"
-"3-[[2-Chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-[[2-Chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC(=CC=C1C2=NN3C(=NN=C3S2)COC4=CC(=C(C=C4)OCC5=NN=C6N5N=C(S6)C7=CC=C(C=C7)Cl)Cl)Cl","MWETUFCHBXNFAK-UHFFFAOYSA-N","402701",NA,"PDBC21772","716889","Present"
-"3-[[2-Tert-butyl-5-chloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione","","","","","","","","","","","","","","","","","","","","3-[[2-Tert-butyl-5-chloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione","","CC(C)(C)C1=CC(=C(C=C1OCC2=NN=C3N2NC(=S)S3)Cl)OCC4=NN=C5N4NC(=S)S5","IQVCQBDEJOCGLL-UHFFFAOYSA-N","5472202",NA,"PDBC21773","716895","Present"
-"3-[[2-Tert-butyl-5-chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-[[2-Tert-butyl-5-chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","CC(C)(C)C1=CC(=C(C=C1OCC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)Cl)Cl)OCC5=NN=C6N5N=C(S6)C7=CC=C(C=C7)Cl","KHDWKMJGYNIYPT-UHFFFAOYSA-N","402705",NA,"PDBC21774","716893","Present"
-"3-[[2-[(Methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl]-4-methyl-7-[(pyrimidin-2-yl)oxy]-2H-1-benzopyran-2-one","","","","","","","","","","","","","","","","","","","","RO-5126766///NSC800871","","CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F","LMMJFBMMJUMSJS-UHFFFAOYSA-N","16719221",NA,"PDBC21775","758248///800871","Present"
-"3-[[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride","","","","","","","","","","","","","","","","","","","","3-[[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C","DDOKKHKXCQHQHZ-UHFFFAOYSA-N","274714",NA,"PDBC21776","120919","Present"
-"3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-Acetamido-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]-4-[[5-amino-1-[[6-amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-Acetamido-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hyd","","CC(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CC6=CNC=N6)C(=O)NC(CO)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC9=CC=CC=C9)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N","VLHKASQMUXRNHW-UHFFFAOYSA-N","16129811",NA,"PDBC21777","676932","Present"
-"3-[[2-[[Bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-oxo-4-(2,3,4,5,6-pentafluorophenoxy)pyrimidin-1-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxypropanenitrile","","","","","","","","","","","","","","","","","","","","3-[[2-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-oxo-4-(2,3,4,5,6-pentafluorophenoxy)pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile","","CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)OC6=C(C(=C(C(=C6F)F)F)F)F","CZSJJZRYBZZKAH-UHFFFAOYSA-N","389756",NA,"PDBC21778","686351","Present"
-"3-[[3,4-Dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]amino]-4,5-dimethoxybenzamide","","","","","","","","","","","","","","","","","","","","3-[[3,4-Dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]amino]-4,5-dimethoxybenzamide","","COC1=CC(=CC(=C1OC)NC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)C=CC3=CC=CC=C3)C(=O)N","BEZPODAEPWMKDG-ZHACJKMWSA-N","5472390",NA,"PDBC21779","718305","Present"
-"3-[[3-(1H-Benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]benzamide","","","","","","","","","","","","","","","","","","","","3-{[(2z)-3-(1h-Benzimidazol-2-yl)-6-bromo-2h-chromen-2-ylidene]amino}benzamide","","C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=NC5=CC=CC(=C5)C(=O)N","MLWAHFKNNHKFFX-UHFFFAOYSA-N","400033",NA,"PDBC21780","711219","Present"
-"3-[[3-(2-Carboxyethylsulfanylcarbonylamino)-4-methyl-phenyl]carbamoylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3,3'-[N,N'-(6-Methyl-1,3-phenylthiocarbamoyl)]-bispropan...","","CC1=C(C=C(C=C1)NC(=O)SCCC(=O)O)NC(=O)SCCC(=O)O","VBXNYZHWINKLEJ-UHFFFAOYSA-N","363900",NA,"PDBC21781","629288","Present"
-"3-[[3-(3-Carboxyanilino)-3-oxopropanoyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid","","C1=CC(=CC(=C1)NC(=O)CC(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)O","DUHRYWLCVXIPSI-UHFFFAOYSA-N","385919",NA,"PDBC21782","677382","Present"
-"3-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]pentane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]pentane-2,4-dione","","CC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C(=O)C","MQOOWTQPTCJGRV-UHFFFAOYSA-N","24203787",NA,"PDBC21783","729519","Present"
-"3-[[3-[(6-Sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione","","","","","","","","","","","","","","","","","","","","3-[[3-[(6-Sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione","","C1=CC(=CC(=C1)OCC2=NN=C3N2NC(=S)S3)OCC4=NN=C5N4NC(=S)S5","QSQIREWFEDUDCC-UHFFFAOYSA-N","5472205",NA,"PDBC21784","716902","Present"
-"3-[[3-[[4-[(4-Oxo-1H-quinolin-3-yl)sulfanyl]-3-quinolyl]sulfanylmethylsulfanyl]-4-quinolyl]sulfanyl]-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","3-[3-[[4-[(4-Oxo-1H-quinolin-3-yl)sulfanyl]quinolin-3-yl]sulfanylmethylsulfanyl]quinolin-4-yl]sulfanyl-1H-quinolin-4-one","","C1=CC=C2C(=C1)C(=O)C(=CN2)SC3=C(C=NC4=CC=CC=C43)SCSC5=C(C6=CC=CC=C6N=C5)SC7=CNC8=CC=CC=C8C7=O","VLCKPHNICCKQCR-UHFFFAOYSA-N","393154",NA,"PDBC21785","694565","Present"
-"3-[[4-(2-Methyl-4-oxo-quinazolin-3-yl)phenyl]hydrazono]pentane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-[[4-(2-Methyl-4-oxo-quinazolin-3-yl)phenyl]hydrazono]pentane-2,4-dione","","CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)N=NC(=C(C)O)C(=O)C","UXGHENKVWDOMGT-PTOVGEMASA-N","135494005",NA,"PDBC21786","691082","Present"
-"3-[[4-(3,4-Dichlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile","","","","","","","","","","","","","","","","","","","","3-[[4-(3,4-Dichlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile","","COC1=CC=C(C=C1)N2C=C(N=C2SCC3=CC(=CC=C3)C#N)C4=CC(=C(C=C4)Cl)Cl","OGENUAIQPMSHHI-UHFFFAOYSA-N","45027966",NA,"PDBC21787","740357","Present"
-"3-[[4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile","","","","","","","","","","","","","","","","","","","","3-[[4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile","","COC1=CC(=CC(=C1OC)OC)N2C=C(N=C2SCC3=CC(=CC=C3)C#N)C4=CC=C(C=C4)Cl","CAZYPTCCLRMNDC-UHFFFAOYSA-N","45027958",NA,"PDBC21788","740263","Present"
-"3-[[4-(6-Bromo-2-methyl-4-oxo-quinazolin-3-yl)phenyl]hydrazono]pentane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-[[4-(6-Bromo-2-methyl-4-oxo-quinazolin-3-yl)phenyl]hydrazono]pentane-2,4-dione","","CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)N=NC(=C(C)O)C(=O)C","CDKOFCNYHXRIEX-ZYAFEDDMSA-N","135494006",NA,"PDBC21789","691083","Present"
-"3-[[4-(Methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-[(4-Methylaminopyrazolo[5,4-d]pyrimidin-1-yl)methoxy]propane-1,2-diol","","CNC1=C2C=NN(C2=NC=N1)COCC(CO)O","ZOQCRVXKHYDEIH-UHFFFAOYSA-N","396473",NA,"PDBC21790","702650","Present"
-"3-[[4-(p-Tolylsulfonyl)phenyl]carbamoylsulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-(N-[Sulfon(4-methylphenyl)thiocarbamoyl])-propanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)SCCC(=O)O","PBFZASHTALNTDQ-UHFFFAOYSA-N","363905",NA,"PDBC21791","629293","Present"
-"3-[[4-[(4-Benzoylphenyl)methoxy]phenyl]-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-[[4-[(4-Benzoylphenyl)methoxy]phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one","","C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O","BGQNUSVZARFIMD-UHFFFAOYSA-N","54680779",NA,"PDBC21792","689412","Present"
-"3-[[4-[(4-Benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-[[4-[(4-Benzylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN(N=N4)COCC(CO)O","GRWMWZSGWDZHSZ-UHFFFAOYSA-N","398129",NA,"PDBC21793","707556","Present"
-"3-[[4-[(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-[[4-[(4-Methylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","CSC1=NC=NC2=C1C=NN2CC3=CN(N=N3)COCC(CO)O","UZCDOJIEMYNANZ-UHFFFAOYSA-N","398127",NA,"PDBC21794","707554","Present"
-"3-[[4-[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-[[4-[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione","","C1COCCN1CN2CN(C(=O)N(C2=O)CC3=CC=C(C=C3)C4=CC=C(C=C4)CN5C(=O)N(CN(C5=O)CN6CCOCC6)CN7CCOCC7)CN8CCOCC8","CXSRLXZSMJIHBO-UHFFFAOYSA-N","396660",NA,"PDBC21795","703174","Present"
-"3-[[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione","","","","","","","","","","","","","","","","","","","","3-[[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione","","C1COCCN1CN2CN(C(=O)N(C2=O)CC3=CC=C(C=C3)CN4C(=O)N(CN(C4=O)CN5CCOCC5)CN6CCOCC6)CN7CCOCC7","CNDFOLWEDFBPTF-UHFFFAOYSA-N","396659",NA,"PDBC21796","703173","Present"
-"3-[[5-(2,4-Dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-indole","","","","","","","","","","","","","","","","","","","","3-({[5-(2,4-Dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-indole","","CN1C(=NN=C1SCC2=CNC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl","OBHBNCCDUQZSJN-UHFFFAOYSA-N","403097",NA,"PDBC21797","717569","Present"
-"3-[[5-(2-Cyanoethylsulfanyl)-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiolan-4-yl]sulfanyl]propanenitrile","","","","","","","","","","","","","","","","","","","","3-((5-((2-Cyanoethyl)thio)-2-(5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiolan-4-yl)thio)propanenitrile","","C1CSC2=C(S1)SC(=C3SC(C(S3)SCCC#N)SCCC#N)S2","YUKLHGXOMTYTBG-UHFFFAOYSA-N","386983",NA,"PDBC21798","680294","Present"
-"3-[[5-[(4-Benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-[[5-[(4-Benzylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN=NN4COCC(CO)O","WHWAKZREZVVHIE-UHFFFAOYSA-N","398130",NA,"PDBC21799","707557","Present"
-"3-[[5-[(4-Chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[[5-[(4-Chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid","","C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=C(C=C3)Cl","KQYJOZIXYSIEFO-UHFFFAOYSA-N","395273",NA,"PDBC21800","699751","Present"
-"3-[[5-[(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","","","","","","","","","","","","","","","","","","","3-[[5-[(4-Methylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","CSC1=NC=NC2=C1C=NN2CC3=CN=NN3COCC(CO)O","ZHWXKMNRPONUEF-UHFFFAOYSA-N","398128",NA,"PDBC21801","707555","Present"
-"3-[[5-[Bis(2-bromoethyl)amino]-2,4-dinitrobenzoyl]amino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[[5-[Bis(2-bromoethyl)amino]-2,4-dinitrobenzoyl]amino]propanoic acid","","C1=C(C(=CC(=C1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCC(=O)O","XWGFMGOAILWIGO-UHFFFAOYSA-N","387493",NA,"PDBC21802","681294","Present"
-"3-[[6-(2-Carboxyethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]propanoic acid","","","","","","","","","","","","","","","","","","","","3-[[6-(2-Carboxyethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]propanoic acid","","CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3O2)C(=O)NCCC(=O)O)C)C(=O)NCCC(=O)O","ILGUTPFLBKPRER-UHFFFAOYSA-N","388806",NA,"PDBC21803","683893","Present"
-"3-[[Imino(dimethyl)-$l^{6}-sulfanylidene]amino]-2-methyl-1H-1,2,4-triazol-5-imine","","","","","","","","","","","","","","","","","","","","3-[[Imino(dimethyl)-$l^{6}-sulfanylidene]amino]-2-methyl-1H-1,2,4-triazol-5-imine","","CN1C(=NC(=N1)N)N=S(=N)(C)C","SQISXLHVDUOCQK-UHFFFAOYSA-N","364672",NA,"PDBC21804","631301","Present"
-"3-[[[(1-Amino-1-oxo)-2-propyl]methylamino] carbonyl]-1-benzylquinolinium bromide","","","","","","","","","","","","","","","","","","","","3-[[[(1-Amino-1-oxo)-2-propyl]methylamino] carbonyl]-1-b...","","CC(C(=O)N)N(C)C(=O)C1=CC2=CC=CC=C2[N+](=C1)CC3=CC=CC=C3.[Br-]","MJZGQURGHOHFLJ-UHFFFAOYSA-N","363837",NA,"PDBC21805","629104","Present"
-"3-[[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile","","","","","","","","","","","","","","","","","","","","3-[[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC(=CC=C6)C#N","BGSVFCXPJNDYMF-BSAOIWFSSA-N","369920",NA,"PDBC21806","642287","Present"
-"3-alpha-Methoxy-trans-2,4-dioxa-3-beta-thioxo-3-phosphabicyclo[4.3.0]nonane","","","","","","","","","","","","","","","","","","","","3-.alpha.-Methoxy-trans-2,4-dioxa-3-.beta.-thioxo-3- pho...","","COP1(=S)OCC2CCCC2O1","OQSJCRXKXZPETK-KKOGVWMFSA-N","364432",NA,"PDBC21807","630692","Present"
-"3-alpha-Methoxy-trans-2,4-dioxa-3-phosphabicyclo[4.3.0]nonane","","","","","","","","","","","","","","","","","","","","3-.alpha.-Methoxy-trans-2,4-dioxa-3-phosphabicyclo[4.3.0...","","COP1OCC2CCCC2O1","XBBUQNVWTGNDAI-KKOGVWMFSA-N","364431",NA,"PDBC21808","630691","Present"
-"3-beta-O-{beta-D-Glucopyranosyl-(1-> 3)-beta-D-glucopyranosyl-(1-> 3)-[beta-D-glucopyranosyl-(1-> 2)]-beta-D-glucopyranosyl-(1-> 4)-beta-D-galactopyranosyl}-2 alpha-hydroxyl-(25R)-5 alpha-spirostane.","","","","","","","","","","","","","","","","","","","","3-beta-O-{beta-D-glucopyranosyl-(1 -> 3)-beta-D-glucopyr...","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1","LHFLSIPWAUOODT-JEPXNDLPSA-N","405053",NA,"PDBC21809","721897","Present"
-"3-bromo-6-nitro-2h-chromen-2-one","","","","","","","","","","","","","","","","","","","","3-bromo-6-nitro-2h-chromen-2-one","","C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)Br","CMASVHRZKKMZCX-UHFFFAOYSA-N","223137",NA,"PDBC21810","10388","Present"
-"3-butoxycarbonyl-3-demethylthiocolchicine","","","","","","","","","","","","","","","","","","","","3-butoxycarbonyl-3-demethylthiocolchicine","","CCCCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC","JGOVLRQGXGSQIM-UHFFFAOYSA-N","360414",NA,"PDBC21811","622488","Present"
-"3-deazacytidine","","","","","","","","","","","","","","","","","","","","3-deazacytidine","","C1=CN(C(=O)C=C1N)C2C(C(C(O2)CO)O)O","OGADSZTVCUXSOK-UHFFFAOYSA-N","1652",NA,"PDBC21812","133115","Present"
-"3-hydroxy-lup-20(29)-en-28-N-methylpiperazine amid","","","","","","","","","","","","","","","","","","","","3-hydroxy-lup-20(29)-en-28-N-methylpiperazine amid","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)N6CCN(CC6)C","RBJSLEPJNSJLFY-KNGBOHGISA-N","155815773",NA,"PDBC21813","799587","Present"
-"3-hydroxyleptomycin b","","","","","","","","","","","","","","","","","","","","3-hydroxyleptomycin b","","CCC(=CC(C)CC=CC(=CC(CO)C(=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC1C(C=CC(=O)O1)C","KZMHNEBMQDBQND-MRBODPGGSA-N","5477877",NA,"PDBC21814","364373","Present"
-"3-morpholinopropyl[?]one","","","","","","","","","","","","","","","","","","","","3-morpholinopropyl[?]one","","C1COCCN1CCCN2C(=O)N3C(=N2)CSC4=C3C=CC5=CC=CC=C54","LHWDEJCFTYTPSW-UHFFFAOYSA-N","393575",NA,"PDBC21815","695645","Present"
-"3-nitro-2',4'-salicyloxylidide","","","","","","","","","","","","","","","","","","","","3-nitro-2',4'-salicyloxylidide","","CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)C","CBRBNMYCBQPPAE-UHFFFAOYSA-N","186171",NA,"PDBC21816","79456","Present"
-"3-phenacyliden-5-brom-2-indolinon","","","","","","","","","","","","","","","","","","","","3-phenacyliden-5-brom-2-indolinon","","C1=CC=C(C=C1)C(=O)C=C2C3=C(C=CC(=C3)Br)NC2=O","AZHMGLXVLSUTGY-LCYFTJDESA-N","5477132",NA,"PDBC21817","294961","Present"
-"3-tert-butyl-3-hydroxy-isochroman-1-one","","","","","","","","","","","","","","","","","","","","3-tert-butyl-3-hydroxy-isochroman-1-one","","CC(C)(C)C1(CC2=CC=CC=C2C(=O)O1)O","MMMUYWVJGFFIPF-UHFFFAOYSA-N","365998",NA,"PDBC21818","634165","Present"
-"3-{(2E)-3-[4-(1H-Benzimidazol-2-yl)phenyl]triaz-2-enyl}propa n-1-ol","","","","","","","","","","","","","","","","","","","","3-{(2E)-3-[4-(1H-benzimidazol-2-yl)phenyl]triaz-2-enyl}p...","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NCCCO","SKXVQEGVHDSUBV-UHFFFAOYSA-N","24203876",NA,"PDBC21819","729838","Present"
-"3-{4-[(E)-(4-Chlorophenyl)diazenyl]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-N-(2-methoxyphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[4-[(4-Chlorophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxopropanamide","","COC1=CC=CC=C1NC(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl","LGWYBQFNPXEUSO-UHFFFAOYSA-N","370003",NA,"PDBC21820","642567","Present"
-"3-{4-[Bis-(2-carboxy-ethyl)-amino]-3-iodo-phenyl}-2-cyano-acrylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","3-{4-[Bis-(2-carboxy-ethyl)-amino]-3-iodo-phenyl}-2-cyano-acrylic acid ethyl ester","","CCOC(=O)C(=CC1=CC(=C(C=C1)N(CCC(=O)O)CCC(=O)O)I)C#N","RFYOFBUDCPMYBQ-LCYFTJDESA-N","6300502",NA,"PDBC21821","659614","Present"
-"3-{[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}phenol hydrochloride","","","","","","","","","","","","","","","","","","","","hydrochloride 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidi...","","CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=CC=C4)O.Cl","BQODDQILXCOHCH-UHFFFAOYSA-N","18590612",NA,"PDBC21822","732807","Present"
-"32-Methoxy-8-nitro-18,21,26,29-tetraoxa-1,4,12,15-tetrazatricyclo[13.8.8.16,10]dotriaconta-6,8,10(32)-triene-3,13-dione","","","","","","","","","","","","","","","","","","","","32-Methoxy-8-nitro-18,21,26,29-tetraoxa-1,4,12,15-tetrazatricyclo[13.8.8.16,10]dotriaconta-6,8,10(32)-triene-3,13-dione","","COC1=C2CNC(=O)CN3CCOCCOCCN(CCOCCOCC3)CC(=O)NCC1=CC(=C2)[N+](=O)[O-]","GXLFGRWMAFCLDG-UHFFFAOYSA-N","394571",NA,"PDBC21823","698137","Present"
-"34-Mer peptide:  GINHLPSDAVGTAIEVMPCLRDGKLCIGAEHIEL","","","","","","","","","","","","","","","","","","","","34-Mer peptide:  GINHLPSDAVGTAIEVMPCLRDGKLCIGAEHIEL","","","","",NA,"PDBC21824","688524","Present"
-"34-Mer peptide:  LSEDKLLACGEGAADIIIGHLCIRHEMTPVNPGV","","","","","","","","","","","","","","","","","","","","34-Mer peptide:  LSEDKLLACGEGAADIIIGHLCIRHEMTPVNPGV","","","","",NA,"PDBC21825","688523","Present"
-"3548AC","","","","","","","","","","","","","","","","","","","","3548AC","","CN(C)CCNC1=C2C(=CC=C1)OC3=C(C2=O)C=C(C=C3)OC","VZEANJLRFRGUBQ-UHFFFAOYSA-N","337291",NA,"PDBC21826","354674","Present"
-"36,37-Diphenyl-2,5,11,14,19,22,28,31-octaoxa-8,25,35,38,43,45-hexazaoctacyclo[30.15.2.135,38.015,41.018,40.033,47.036,45.037,43]pentaconta-1(47),15(41),16,18(40),32,48-hexaene-44,50-dione","","","","","","","","","","","","","","","","","","","","36,37-Diphenyl-2,5,11,14,19,22,28,31-octaoxa-8,25,35,38,43,45-hexazaoctacyclo[30.15.2.135,38.015,41.018,40.033,47.036,45.037,43]pentaconta-1(47),15(41),16,18(40),32,48-hexaene-44,50-dione","","C1COCCOC2=C3CN4C(=O)N5CC6=C(C=CC7=C6CN8C5(C4(N(C8=O)CC3=C(C=C2)OCCOCCNCCOCCO7)C9=CC=CC=C9)C2=CC=CC=C2)OCCOCCN1","VSPIXAKZKXCUFM-UHFFFAOYSA-N","370155",NA,"PDBC21827","642893","Present"
-"38C","","","","","","","","","","","","","","","","","","","","38C","","COC1=CC=C(C=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","JWXHIZDIJHFSIP-UHFFFAOYSA-N","390818",NA,"PDBC21828","688820","Present"
-"3Aalpha,4,5,6-Tetrahydro-4-oxo-5-[(S)-1-phenylethyl]-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (3aS)-4-oxo-5-[(1S)-1-phenylethyl]-3a,6-dihydro-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylate","","CC(C1=CC=CC=C1)N2CC3=CC=CC=C3N4C(C2=O)CC(=N4)C(=O)OC","MNVBFXULXCFHSO-LIRRHRJNSA-N","401217",NA,"PDBC21829","714421","Present"
-"3Abeta,4-Dihydro-6beta-[4-(trifluoromethyl)phenyl]-3H-cyclopenta[c]isoxazole-5,5(6H)-dicarboxylic acid diethyl ester","","","","","","","","","","","","","","","","","","","","Diethyl (3aR,6R)-6-[4-(trifluoromethyl)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c][1,2]oxazole-5,5-dicarboxylate","","CCOC(=O)C1(CC2CON=C2C1C3=CC=C(C=C3)C(F)(F)F)C(=O)OCC","YOOXHFZZXUCKDB-JSGCOSHPSA-N","401489",NA,"PDBC21830","715147","Present"
-"3Alfa-acetoxysarcodonin","","","","","","","","","","","","","","","","","","","","3alfa-acetoxysarcodonin","","CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)O)O)C(C)CC)[O-])OC(=O)C","PXGYYRKCFYOWID-GYPBXALBSA-N","404539",NA,"PDBC21831","720787","Present"
-"3D-D-demycarosyl-3D-.beta.-D-oliosyl-Mithramycin","","","","","","","","","","","","","","","","","","","","3D-D-demycarosyl-3D-.beta.-D-oliosyl-Mithramycin","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3CC(OC(C3O)C)OC4C(CC5=C(C4=O)C(=C6C(=C5)C=C(C(=C6O)C)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)O)O)C(C(=O)C(C(C)O)O)OC)O)O","KFNMIACXDPOGJG-KBBWBNCFSA-N","155812555",NA,"PDBC21832","783298","Present"
-"3D-D-demycarosyl-3D-a-L-oleandrosyl-Mithramycin","","","","","","","","","","","","","","","","","","","","3D-D-demycarosyl-3D-a-L-oleandrosyl-Mithramycin","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC)C(=C4C(=C3C)O)O)O)O","OZJCVQRWLDUFPA-YVFWWETGSA-N","155811892",NA,"PDBC21833","783297","Present"
-"3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-ol, 3,3'-(1,12-dodecanediyl)bis-","","","","","","","","","","","","","","","","","","","","3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-ol, 3,3'-(1,12-dodec...","","C1=NC2=C(C(=O)N1)N=NN2CCCCCCCCCCCCN3C4=C(C(=O)NC=N4)N=N3","VDKAOKMNJKYDBM-UHFFFAOYSA-N","135409018",NA,"PDBC21834","653419","Present"
-"3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-","","","","","","","","","","","","","","","","","","","","3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-","","C1=CC=C2C(=C1)C3=NNC(=S)N=C3N2C(=O)C(F)(F)F","AGSZBVGKWLFZNG-UHFFFAOYSA-N","3000333",NA,"PDBC21835","623094","Present"
-"3H-1,2,4-Triazol-3-imine, 1,2-dihydro-5-methyl-1-pentopyranosyl-","","","","","","","","","","","","","","","","","","","","2-(5-Imino-3-methyl-1H-1,2,4-triazol-2-yl)tetrahydropyran-3,4,5-triol","","CC1=NC(=NN1C2C(C(C(CO2)O)O)O)N","XTVAFVSOEHBQPC-UHFFFAOYSA-N","362638",NA,"PDBC21836","626823","Present"
-"3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-(3-methyl-3-thietanyl)-4,5-diphenyl-","","","","","","","","","","","","","","","","","","","","3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-(3-methyl-3-thietanyl)-4,5-diphenyl-","","CC1(CSC1)N2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4","UUGAPWQWFKPLTE-UHFFFAOYSA-N","374919",NA,"PDBC21837","653504","Present"
-"3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[(4-methylphenyl)methyl]-4-phenyl-","","","","","","","","","","","","","","","","","","","","3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[(4-methylphenyl)methyl]-4-phenyl-","","CC1=CC=C(C=C1)CC2=NNC(=O)N2C3=CC=CC=C3","NTNNEQKPZLRLJX-UHFFFAOYSA-N","386446",NA,"PDBC21838","678475","Present"
-"3H-1,2-Benzodithiol-3-one 1-oxide","","","","","","","","","","","","","","","","","","","","3H-1,2-Benzodithiol-3-one-1-oxide","","C1=CC=C2C(=C1)C(=O)SS2=O","RFKVIOFDUHRMTD-UHFFFAOYSA-N","5466364",NA,"PDBC21839","686574","Present"
-"3H-1,2-Dithiole, 3,3,4,5-tetrachloro-","","","","","","","","","","","","","","","","","","","","3H-1,2-Dithiole, tetrachloro-","","C1(=C(SSC1(Cl)Cl)Cl)Cl","YXMZIQBPZNCGMY-UHFFFAOYSA-N","55894",NA,"PDBC21840","135975","Present"
-"3H-1,4-Dithiazole-5-amine, 3-[2-(diethoxy)ethyl]imino-N,N-dimethyl-, hydrobromide","","","","","","","","","","","","","","","","","","","","3H-1,2,4-Dithiazole-5-amine, 3-[2-(diethoxy)ethyl]imino-...","","CCOC(CN=C1N=C(SS1)N(C)C)OCC.Br","SIYSFFBXOZNARK-UHFFFAOYSA-N","360558",NA,"PDBC21841","622688","Present"
-"3H-2,1-Benzoxathiole 1,1-dioxide","","","","","","","","","","","","","","","","","","","","o-Toluenesulfonic acid, .alpha.-hydroxy-, .gamma.-sultone","","C1C2=CC=CC=C2S(=O)(=O)O1","SDJPPXJZWJEAPT-UHFFFAOYSA-N","78157",NA,"PDBC21842","50795","Present"
-"3H-3a,6-Methano-2,1-benzisothiazole, 1-[[(2R,3S,3aR)-hexahydro-2-methylpyrrolo[1,2-b]isoxazol-3-yl]carbonyl]hexahydro-8,8-dimethyl-, 2,2-dioxide","","","","","","","","","","","","","","","","","","","","[(2R,3S,3Ar)-2-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)methanone","","CC1C(C2CCCN2O1)C(=O)N3C4CC5CCC4(C5(C)C)CS3(=O)=O","FDPRDAHOVZKQDN-WWKNAXRHSA-N","381052",NA,"PDBC21843","667071","Present"
-"3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxooctyl)-, 2,2-dioxide","","","","","","","","","","","","","","","","","","","","1-(10,10-Dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)octan-1-one","","CCCCCCCC(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O","JSPHNRUWCOHPAN-UHFFFAOYSA-N","377466",NA,"PDBC21844","658923","Present"
-"3H-Diimidazo[1,5'-d]pyrimidin-9-one, 4,9-dihydro-4,6-dimethyl-3-B-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","3H-Diimidazo[1,2-a:4',5'-d]pyrimidin-9-one, 4,9- dihydro...","","CC1=CN2C(=O)C3=C(N(C2=N1)C)N(C=N3)C4C(C(C(O4)CO)O)O","JCZSFCLRSONYLH-UHFFFAOYSA-N","363427",NA,"PDBC21845","628338","Present"
-"3H-Imidazo[1,2-e]pyrimidin-2(7H)-one, 3,9-dimethyl-5-(methylthio)-8-phenyl-","","","","","","","","","","","","","","","","","","","","3H-Imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-2(7H)-one, 3,9-...","","CC1C(=O)NC2=C3C(=C(N=C3N=C(N12)SC)C4=CC=CC=C4)C","LEJAPKDVRSAKBF-UHFFFAOYSA-N","135585381",NA,"PDBC21846","725828","Present"
-"3H-Indazol-3-amine","","","","","","","","","","","","","","","","","","","","3H-Indazol-3-amine","","C1=CC=C2C(=C1)C(N=N2)N","SRTBRSCNLJCLPU-UHFFFAOYSA-N","359326",NA,"PDBC21847","620111","Present"
-"3H-Indol-3-one, 2-(2-methylphenyl)-, 1-oxide","","","","","","","","","","","","","","","","","","","","2-(o-tolyl)-1-oxido-indol-1-ium-3-one","","CC1=CC=CC=C1C2=[N+](C3=CC=CC=C3C2=O)[O-]","FVLUSWMJOXATHL-UHFFFAOYSA-N","362360",NA,"PDBC21848","626106","Present"
-"3H-Indol-3-one, 2-(4-chlorophenyl)-, 1-oxide","","","","","","","","","","","","","","","","","","","","3H-Indol-3-one, 2-(4-chlorophenyl)-, 1-oxide","","C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Cl","XOMOLSDIXFIBAL-UHFFFAOYSA-N","362363",NA,"PDBC21849","626109","Present"
-"3H-Naphtho[1, 4,5-dihydro-6-nitro-, ethyl ester","","","","","","","","","","","","","","","","","","","","3H-Naphtho[1,8-bc]furan-2-carboxylic acid, 4,5-dihydro-6...","","CCOC(=O)C1=C2CCCC3=C(C=CC(=C32)O1)[N+](=O)[O-]","KVSSXNFYCCIYSG-UHFFFAOYSA-N","360479",NA,"PDBC21850","622613","Present"
-"3H-Naphtho[2,1-b]pyran-2-carboxamide, 3-imino-","","","","","","","","","","","","","","","","","","","","3H-Naphtho[2,1-b]pyran-2-carboxamide, 3-imino-","","C1=CC=C2C(=C1)C=CC3=C2C=C(C(=N)O3)C(=O)N","VNHCIICJCYBUKX-UHFFFAOYSA-N","395946",NA,"PDBC21851","701070","Present"
-"3H-Pseudozoanthoxanthin","","","","","","","","","","","","","","","","","","","","3H-pseudozoanthoxanthin","","CC1=C2C(=C3C(=NC(=N3)N(C)C)C=C1)N(C(=N2)NC)C","NZNXUEOMDKEQMO-UHFFFAOYSA-N","378916",NA,"PDBC21852","662423","Present"
-"3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-hydroxy-1-naphthalenyl)methylene]-2-(2-hydroxybenzoyl)-5-methyl-","","","","","","","","","","","","","","","","","","","","3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-hydroxy- 1-naphthale...","","CC1=C(C(=O)N(N1)C(=O)C2=CC=CC=C2O)C=C3C(=O)C=CC4=CC=CC=C43","IJYAUTDSQHSGQK-PDGQHHTCSA-N","5465537",NA,"PDBC21853","652183","Present"
-"3H-Pyrazole-3,4,5-tricarboxylic acid, 3-(dimethylbismuthino)-, 3-ethyl 4,5-dimethyl ester","","","","","","","","","","","","","","","","","","","","3H-Pyrazole-3,4,5-tricarboxylic acid, 3-(dimethylbismuthino)-, 3-ethyl 4,5-dimethyl ester","","CCOC(=O)C1(C(=C(N=N1)C(=O)OC)C(=O)OC)[Bi](C)C","HLGGEOPSHATQAA-UHFFFAOYSA-N","331625",NA,"PDBC21854","325608","Present"
-"3H-Pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4-one","","","","","","","","","","","","","","","","","","","","3H-Pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4-one","","C1=CC2=C(N=C1)SC3=C2N=NNC3=O","SFJDUWWRDKUTSA-UHFFFAOYSA-N","135489792",NA,"PDBC21855","675864","Present"
-"3H-Pyrrole-4-carboxylic acid, 2,5-diamino-3-[(4-methoxyphenyl)imino]-, ethylester","","","","","","","","","","","","","","","","","","","","3H-Pyrrole-4-carboxylic acid, 2,5-diamino-3-[(4-methoxyp...","","CCOC(=O)C1=C(C(=NC1=N)N)NC2=CC=C(C=C2)OC","VAYGZHQOQYZSME-UHFFFAOYSA-N","135452461",NA,"PDBC21856","302867","Present"
-"3H-Pyrrolo[3, 2,3,6,7-tetramethyl-, iodide","","","","","","","","","","","","","","","","","","","","3H-Pyrrolo[3,2-f]quinolinium, 2,3,6,7-tetramethyl-, iodide","","CC1=[N+](C2=C(C=C1)C3=C(C=C2)N(C(=C3)C)C)C.[I-]","LUJQRRNPLBVUCY-UHFFFAOYSA-M","24188629",NA,"PDBC21857","78018","Present"
-"3H-Xanthen-3-one, 2,4,5,7-tetrabromo-6-hydroxy-9-phenyl-","","","","","","","","","","","","","","","","","","","","3H-Xanthen-3-one, 2,4,5,7-tetrabromo-6-hydroxy-9-phenyl-","","C1=CC=C(C=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)Br)Br","YDORCWFBNQOQIK-UHFFFAOYSA-N","356718",NA,"PDBC21858","613609","Present"
-"3V07D4LF1N","","","","","","","","","","","","","","","","","","","","3V07D4LF1N","","CC1=C(C(=S)N=C(N1)N)CCC(=O)O","JJOFZKIXHUDVKL-UHFFFAOYSA-N","3003821",NA,"PDBC21859","97918","Present"
-"3VL8VB55X4","","","","","","","","","","","","","","","","","","","","3VL8VB55X4","","CC1=C2C=CN=C(C2=C(C3=C1N(C4=CC=CC=C43)CC5=CC=CC=C5)C)C(=O)N","VODKCENRSZZLTO-UHFFFAOYSA-N","330922",NA,"PDBC21860","320613","Present"
-"3a,3b,4,5,6,6a,11,11b-Octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","3a,3b,4,5,6,6a,11,11b-Octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione","","C1CC2C(C1)C3=C(C4C2C(=O)NC4=O)NC5=CC=CC=C53","BGLCHQRMAMFEPY-UHFFFAOYSA-N","362442",NA,"PDBC21861","626391","Present"
-"3a,5,5-Trimethyl-1-phenyl-3a,4,5,6-tetrahydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine","","","","","","","","","","","","","","","","","","","","3a,5,5-Trimethyl-1-phenyl-3a,4,5,6-tetrahydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine","","CC1(CC2(N(C3=CC=CC=C3N1)C(=NO2)C4=CC=CC=C4)C)C","JKRZHBNLPINNHO-UHFFFAOYSA-N","377493",NA,"PDBC21862","658961","Present"
-"3a,5,6,6a-Tetrahydro-3beta,3aalpha,6alpha-trihydroxy-3-(1-ethoxy-1H-indole-3-ylmethyl)furo[3,2-b]furan-2(3H)-one","","","","","","","","","","","","","","","","","","","","(3s,6s,6As)-6-[(1-ethoxyindol-3-yl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2h-furo[2,3-d]furan-5-one","","CCON1C=C(C2=CC=CC=C21)CC3(C(=O)OC4C3(OCC4O)O)O","DRGYHSLUSCNXAW-WVKGIRLHSA-N","398552",NA,"PDBC21863","708488","Present"
-"3a,5-Dimethyl-1-phenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","","","","","","","","","","","","","","","","","","","3a,5-Dimethyl-1-phenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","CC1CC2(N(C3=CC=CC=C3S1)C(=NO2)C4=CC=CC=C4)C","AXDNOEIXABAWJD-UHFFFAOYSA-N","384262",NA,"PDBC21864","673810","Present"
-"3a,7-Methano-3aH-cyclopentacyclooctene-2,9(3H,4H)-dione, hexahydro-1,1,7-trimethyl-","","","","","","","","","","","","","","","","","","","","3a,7-Methano-3aH-cyclopentacyclooctene-2,9(3H,4H)-dione, hexahydro-1,1,7-trimethyl-","","CC1(C2C(=O)CC3(CCCC2(C3)CC1=O)C)C","IDXVGRTXFXYOCS-UHFFFAOYSA-N","382558",NA,"PDBC21865","670167","Present"
-"3a,7a-Dihydrodithiolo[3,4-b]pyridine-3-thione","","","","","","","","","","","","","","","","","","","","3a,7a-Dihydrodithiolo[5,4-b]pyridine-3-thione","","C1=CC2C(N=C1)SSC2=S","DRPGBRDDYIIVEA-UHFFFAOYSA-N","397764",NA,"PDBC21866","706186","Present"
-"3a,7b-Dimethyl-2,4-dioxodecahydrobenzo[3,4]cyclobuta[1,2-b]furan-3-carbonitrile","","","","","","","","","","","","","","","","","","","","3a,7b-Dimethyl-2,4-dioxodecahydrobenzo[3,4]cyclobuta[1,2-b]furan-3-carbonitrile","","CC12C3CCCC(=O)C3C1(C(C(=O)O2)C#N)C","ORLVDTSQPRWNMF-UHFFFAOYSA-N","362314",NA,"PDBC21867","625950","Present"
-"3a,8a-Dihydroxy-1,3-diphenyl-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazole-2,8-dione","","","","","","","","","","","","","","","","","","","","3a,8a-Dihydroxy-1,3-diphenyl-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazole-2,8-dione","","C1=CC=C(C=C1)N2C(=O)N(C3(C2(C4=CC=CC=C4C3=O)O)O)C5=CC=CC=C5","GWUSSCXWEWTJSD-UHFFFAOYSA-N","368005",NA,"PDBC21868","638234","Present"
-"3a,8a-Dihydroxy-1-methyl-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazole-2,8-dione","","","","","","","","","","","","","","","","","","","","3a,8b-Dihydroxy-3-methyl-1H-indeno[2,3-d]imidazole-2,4-dione","","CN1C(=O)NC2(C1(C(=O)C3=CC=CC=C32)O)O","BHQIXCRZKCNESW-UHFFFAOYSA-N","368086",NA,"PDBC21869","638428","Present"
-"3a,8a-Dihydroxy-1-phenyl-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazole-2,8-dione","","","","","","","","","","","","","","","","","","","","3a,8b-Dihydroxy-3-phenyl-1H-indeno[2,3-d]imidazole-2,4-dione","","C1=CC=C(C=C1)N2C(=O)NC3(C2(C(=O)C4=CC=CC=C43)O)O","XULXOBLYRWHESW-UHFFFAOYSA-N","368087",NA,"PDBC21870","638429","Present"
-"3a,8b-Dihydroxy-3-phenyl-2-thioxo-1H-indeno[2,3-d]imidazol-4-one","","","","","","","","","","","","","","","","","","","","3a,8b-Dihydroxy-3-phenyl-2-thioxo-1H-indeno[2,3-d]imidazol-4-one","","C1=CC=C(C=C1)N2C(=S)NC3(C2(C(=O)C4=CC=CC=C43)O)O","OPMKYINTKHIAAH-UHFFFAOYSA-N","3004232",NA,"PDBC21871","638430","Present"
-"3a-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","","","","","","","","","","","","","","","","","","","3a-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","C1CC2(NC3=CC=CC=C3N2C1=O)C4=CC=C(C=C4)Cl","ZLNZEIFAAWZJFN-UHFFFAOYSA-N","368711",NA,"PDBC21872","639848","Present"
-"3a-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","","","","","","","","","","","","","","","","","","","3a-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","C1CC2(NC3=CC=CC=C3N2C1=O)C4=CC=C(C=C4)F","KTARQOJLDRKIDM-UHFFFAOYSA-N","368712",NA,"PDBC21873","639849","Present"
-"3a-(Difluoromethyl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol","","","","","","","","","","","","","","","","","","","","3a-(Difluoromethyl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5h-furo[5,4-d][1,3]dioxol-6-ol","","CC1(OC2C(C(OC2(O1)C(F)F)CO)O)C","XJISWBRFPIQWMB-UHFFFAOYSA-N","396766",NA,"PDBC21874","703545","Present"
-"3a-Ethyl 3-methyl 1-((3-chlorobenzoyl)amino)-6a-hydroxy-2-methyl-4,5,6,6a-tetrahydrocyclopenta[b]pyrrole-3,3a(1H)-dicarboxylate","","","","","","","","","","","","","","","","","","","","3a-O-Ethyl 3-O-methyl 1-[(3-chlorobenzoyl)amino]-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)C3=CC(=CC=C3)Cl)O","INTVBSNMZXAIRL-UHFFFAOYSA-N","367826",NA,"PDBC21875","637901","Present"
-"3a-Hydroxyspiro[2,4,5,6,7,8,9,9a-octahydrocycloocta[c]pyrrole-1,1'-cycloheptane]-3-one","","","","","","","","","","","","","","","","","","","","3a'-Hydroxyoctahydrospiro[cycloheptane-1,1'-cycloocta[c]pyrrol]-3'(2'H)-one","","C1CCCC2(C(CC1)C3(CCCCCC3)NC2=O)O","RHKYNGKMJNUJKI-UHFFFAOYSA-N","363860",NA,"PDBC21876","629127","Present"
-"3a-Methyl-1-phenyl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepin-5(6H)-one","","","","","","","","","","","","","","","","","","","","3a-Methyl-1-phenyl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepin-5(6H)-one","","CC12CC(=O)NC3=CC=CC=C3N1C(=NO2)C4=CC=CC=C4","RUJQGUDBSZASHN-UHFFFAOYSA-N","377491",NA,"PDBC21877","658959","Present"
-"3a-Methyl-2,4-diphenyl-1,3,4,8b-tetrahydroindeno[1,2-c]phosphole 2-oxide","","","","","","","","","","","","","","","","","","","","3a-Methyl-2,4-diphenyl-1,3,4,8b-tetrahydroindeno[1,2-c]phosphole 2-oxide","","CC12CP(=O)(CC1C3=CC=CC=C3C2C4=CC=CC=C4)C5=CC=CC=C5","USAJZDLDKCTBFR-UHFFFAOYSA-N","376967",NA,"PDBC21878","658167","Present"
-"3a-Methyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione","","","","","","","","","","","","","","","","","","","","3a-Methyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione","","CC12C(C(=O)NC1=O)N=NN2","CVLOUNRSFROHKZ-UHFFFAOYSA-N","375572",NA,"PDBC21879","655359","Present"
-"3a-Methyl-6-nitro-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","","","","","","","","","","","","","","","","","","","3a-Methyl-6-nitro-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","CC12CCC(=O)N1C3=C(N2)C=C(C=C3)[N+](=O)[O-]","ZVRZECGULZZRFM-UHFFFAOYSA-N","368717",NA,"PDBC21880","639854","Present"
-"3a-Methyl-7-nitro-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","","","","","","","","","","","","","","","","","","","3a-Methyl-7-nitro-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","CC12CCC(=O)N1C3=C(N2)C=CC(=C3)[N+](=O)[O-]","QRKYNOPJDIGNSB-UHFFFAOYSA-N","368718",NA,"PDBC21881","639855","Present"
-"3a-Methylazulen-4-one; carbon monoxide; cyclopentane; iron","","","","","","","","","","","","","","","","","","","","3a-Methylazulen-4-one; carbon monoxide; cyclopentane; iron","","","","",NA,"PDBC21882","649309","Present"
-"3a-O-Ethyl 3-O,4-O-dimethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate","","","","","","","","","","","","","","","","","","","","3a-O-Ethyl 3-O,4-O-dimethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate","","CCOC(=O)C12C(=C(N(C1(N(C(=C2C(=O)OC)C)NC(=O)NC3=CC=CC=C3)N)NC(=O)NC4=CC=CC=C4)C)C(=O)OC","OZSZFAZDJFWWFB-UHFFFAOYSA-N","364561",NA,"PDBC21883","630981","Present"
-"3a-O-Ethyl 3-O-methyl 1-(carbamoylamino)-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","","","","","","","","","","","","","","","","","","","3a-O-Ethyl 3-O-methyl 1-(carbamoylamino)-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)N)O","FCMMHFRPPVPQCO-UHFFFAOYSA-N","364560",NA,"PDBC21884","630980","Present"
-"3a-O-Ethyl 3-O-methyl 1-benzamido-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","","","","","","","","","","","","","","","","","","","3a-O-Ethyl 3-O-methyl 1-benzamido-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)C3=CC=CC=C3)O","XHBPERJERGDTEZ-UHFFFAOYSA-N","364558",NA,"PDBC21885","630978","Present"
-"3a-O-Ethyl 3-O-methyl 6a-hydroxy-1-(methoxycarbonylamino)-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","","","","","","","","","","","","","","","","","","","3a-O-Ethyl 3-O-methyl 6a-hydroxy-1-(methoxycarbonylamino)-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)OC)O","GLQKUASZKSYQPB-UHFFFAOYSA-N","364557",NA,"PDBC21886","630977","Present"
-"3a-O-Ethyl 3-O-methyl 6a-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","","","","","","","","","","","","","","","","","","","3a-O-Ethyl 3-O-methyl 6a-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)OC(C)(C)C)O","QCMVRPLGPVCCDM-UHFFFAOYSA-N","364559",NA,"PDBC21887","630979","Present"
-"3a-Prop-2-enyl-1,3,4,6,7,7a-hexahydroindene-2,5-dione","","","","","","","","","","","","","","","","","","","","3a-Prop-2-enyl-1,3,4,6,7,7a-hexahydroindene-2,5-dione","","C=CCC12CC(=O)CCC1CC(=O)C2","ZMMXPOITZACTMG-UHFFFAOYSA-N","359515",NA,"PDBC21888","620498","Present"
-"3alpha-Hydroxy-4alpha-methylcyclopentane-1,1-dicarboxylic acid diethyl ester","","","","","","","","","","","","","","","","","","","","NSC686503","","CCOC(=O)C1(CC(C(C1)O)C)C(=O)OCC","CHXWXMWYUNAFCI-BDAKNGLRSA-N","389875",NA,"PDBC21889","686503","Present"
-"3alpha-Phenyl-4aalpha,5,6,7,7aalpha,7balpha-hexahydroindeno[1,7-cd]isoxazole-4,4(3H)-dicarboxylic acid diethyl ester","","","","","","","","","","","","","","","","","","","","Diethyl (1R,5R,7S,11R)-5-phenyl-2-oxa-3-azatricyclo[5.3.1.04,11]undec-3-ene-6,6-dicarboxylate","","CCOC(=O)C1(C2CCCC3C2C(=NO3)C1C4=CC=CC=C4)C(=O)OCC","ATHDZOJILXEWAN-YVSFHVDLSA-N","401490",NA,"PDBC21890","715148","Present"
-"3alpha-Phenyl-5-methyl-1H-pyrrolo[1,2-c]thiazole-7-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl(3r)-5-methyl-3-phenyl-1h-pyrrolo[1,2-c][1,3]thiazole-7-carboxylate","","CC1=CC(=C2N1C(SC2)C3=CC=CC=C3)C(=O)OC","APPWRWBTISUVQR-CQSZACIVSA-N","402121",NA,"PDBC21891","715979","Present"
-"3beta,5alpha,9alpha-Trihydroxy-6alpha-(sulfooxy)cholest-7-ene","","","","","","","","","","","","","","","","","","","","3.beta.,5.alpha.,6.alpha.,9.alpha.-Tetrahydroxy-cholest-...","","CC(C)CCCC(C)C1CCC2C1(CCC3(C2=CC(C4(C3(CCC(C4)O)C)O)OS(=O)(=O)O)O)C","PQWJBUCEKMAWGE-BCBAPGJRSA-N","391024",NA,"PDBC21892","689447","Present"
-"3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde","","","","","","","","","","","","","","","","","","","","C15001","","CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CC(=C4)C=O)C)C","IZJWIBVOSGOTPV-MZLYOWLHSA-N","256729",NA,"PDBC21893","84033","Present"
-"3beta-Acetoxy-16,17-dinitrile","","","","","","","","","","","","","","","","","","","","3.beta.-Acetoxy-16,17-seco-5- androsten-16,17-dinitrile","","CC(=O)OC1CCC2(C3CCC(C(C3CC=C2C1)CC#N)(C)C#N)C","KGTHWGNUVVKOEJ-VPIVDOTDSA-N","362466",NA,"PDBC21894","626415","Present"
-"3beta-Acetoxy-16-oxo-17-aza-D-homo-5-androsten-17alpha-one N-acetyl hydrazone","","","","","","","","","","","","","","","","","","","","3.beta.-Acetoxy-16-oxo-17-aza-D-homo-5-androsten-17.alph...","","CC(=O)NN=C1C2(CCC3C(C2CC(=O)N1)CC=C4C3(CCC(C4)OC(=O)C)C)C","PBJGIBOVMXWWTJ-ALOMXMGUSA-N","135509230",NA,"PDBC21895","682447","Present"
-"3beta-Acetoxychlolest-5-en-7-nitrimine","","","","","","","","","","","","","","","","","","","","3.beta.-Acetoxychlolest-5-en-7-nitrimine","","CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=N[N+](=O)[O-])C=C4C3(CCC(C4)OC(=O)C)C)C","QEWKPCMBVRADON-NRVFZUAVSA-N","9569825",NA,"PDBC21896","620367","Present"
-"3beta-Hydroxy-16beta-N-methyl piperazino-5-androsten-17-one","","","","","","","","","","","","","","","","","","","","3.beta.-Hydroxy-16.beta.-N-methyl piperazino-5-androsten...","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)N5CCN(CC5)C)C)O","WECUVWLQFPUOCY-PRLAPGDWSA-N","386240",NA,"PDBC21897","677958","Present"
-"3beta-Hydroxy-16beta-morpholino-5-androsten-17-one","","","","","","","","","","","","","","","","","","","","3.beta.-Hydroxy-16.beta.-morpholino-5-androsten-17-one","","CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)N5CCOCC5)C)O","OJJIUBVDSXQWGO-HVWUICSASA-N","386233",NA,"PDBC21898","677951","Present"
-"3beta-Hydroxy-17a-methyl-17a-aza-D-homo-5-androsten-17-one","","","","","","","","","","","","","","","","","","","","3.beta.-Hydroxy-17a-methyl-17a-aza-D-homo-5-androsten-17...","","CC12CCC(CC1=CCC3C2CCC4(C3CCC(=O)N4C)C)O","LSTYNRPPTUJOBK-ZMAWFSDESA-N","363155",NA,"PDBC21899","627756","Present"
-"3beta-Hydroxy-3,4beta-dimethylcyclopentane-1,1-dicarboxylic acid diethyl ester","","","","","","","","","","","","","","","","","","","","NSC686506","","CCOC(=O)C1(CC(C(C1)(C)O)C)C(=O)OCC","RHCHJQSWYXDKKJ-JOYOIKCWSA-N","389878",NA,"PDBC21900","686506","Present"
-"3beta-Methoxy-androst-5-en-16beta-ol","","","","","","","","","","","","","","","","","","","","Androst-5-en-16.beta.-ol, 3.beta.-methoxy- (8CI)","","CC12CCC3C(C1CC(C2)O)CC=C4C3(CCC(C4)OC)C","OUMKTFKBXXEGOM-ZPNXQJJCSA-N","234498",NA,"PDBC21901","34475","Present"
-"3beta-Phenyl-4aalpha,5,6,7,7aalpha,7balpha-hexahydroindeno[1,7-cd]isoxazole-4,4(3H)-dicarboxylic acid diethyl ester","","","","","","","","","","","","","","","","","","","","Diethyl (1R,5S,7S,11R)-5-phenyl-2-oxa-3-azatricyclo[5.3.1.04,11]undec-3-ene-6,6-dicarboxylate","","CCOC(=O)C1(C2CCCC3C2C(=NO3)C1C4=CC=CC=C4)C(=O)OCC","ATHDZOJILXEWAN-VVLHAWIVSA-N","401491",NA,"PDBC21902","715149","Present"
-"3beta-Pregna-5,20-diene-beta-D-xylopyranoside","","","","","","","","","","","","","","","","","","","","3.beta.-Pregna-5,20-diene-.beta.-D-xylopyranoside","","CC12CCC3C(C1CCC2C=C)CC=C4C3(CCC(C4)OC5C(C(C(CO5)O)O)O)C","CJBWTAWVUJOREK-RQRPEGGESA-N","404631",NA,"PDBC21903","721059","Present"
-"3epsilon-Hydroxyvobtusine","","","","","","","","","","","","","","","","","","","","VOBTUSINE, (3E)-HYDROXY-","","COC1=CC=CC2=C1N3CC4(CC5C3(C26CCN7C6C8(C5)CCOC8CC7)O)C9C1(CCO9)CC(=C2C3(C1N(C4O)CC3)C1=CC=CC=C1N2)C(=O)OC","HUWNUSVUJDHPHX-UHFFFAOYSA-N","434382",NA,"PDBC21904","349159","Present"
-"3mhc","","","","","","","","","","","","","","","","","","","","3mhc","","C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)S(=O)(=O)N","NBKDQESIWDNDOT-UHFFFAOYSA-N","394897",NA,"PDBC21905","698989","Present"
-"4''-Methylepigallocatechin gallate","","","","","","","","","","","","","","","","","","","","CUX41G3911","","COC1=C(C=C(C=C1O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C(=C4)O)O)O)O)O)O","BMJHAAZDURGGSC-TZIWHRDSSA-N","401129",NA,"PDBC21906","714028","Present"
-"4',5',6,7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","4',5',6,7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=C(C2=C(CC3(C2=O)CC4=C(C3=O)C=CC(=C4C)C)C=C1)C","OUQMBSRYMWIIGA-UHFFFAOYSA-N","393826",NA,"PDBC21907","696647","Present"
-"4',5'-Dimethylspiro[1,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1',3-dione","","","","","","","","","","","","","","","","","","","","4',5'-Dimethylspiro[1,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1',3-dione","","CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=C(C3=O)C=CC5=C4CCC5)C","OQOOSBMHZFYQTI-UHFFFAOYSA-N","393819",NA,"PDBC21908","696640","Present"
-"4',5'-d]Pyran-5-yl)-methanone","","","","","","","","","","","","","","","","","","","","4',5'-d]pyran-5-yl)-methanone","","CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)C4=CC=CC=C4)C","INTCVMYMFRDPEA-UHFFFAOYSA-N","390935",NA,"PDBC21909","689188","Present"
-"4',5,5',6-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","4',5,5',6-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=C(C3=O)C=C(C(=C4)C)C)C","IXJNZQGTQLJTSF-UHFFFAOYSA-N","393836",NA,"PDBC21910","696657","Present"
-"4',5,5',7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","4',5,5',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=CC(=CC(=C4C3=O)C)C)C","VQOCLSCDIYYNPM-UHFFFAOYSA-N","393823",NA,"PDBC21911","696644","Present"
-"4',5,6',7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","4',5,6',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=CC(=C2C(=C1)CC3(C2=O)CC4=C(C=C(C=C4C3=O)C)C)C","XCYHPMCDJGQHFV-UHFFFAOYSA-N","393832",NA,"PDBC21912","696653","Present"
-"4',5,6,7'-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","4',5,6,7'-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=C2CC3(CC4=C(C3=O)C=C(C(=C4)C)C)C(=O)C2=C(C=C1)C","SXWAOLHXFAXOAG-UHFFFAOYSA-N","393837",NA,"PDBC21913","696658","Present"
-"4',5,6,7-Tetramethoxyflavone","","","","","","","","","","","","","","","","","","","","tetramethyl-o-scutellarin","","COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC","URSUMOWUGDXZHU-UHFFFAOYSA-N","96118",NA,"PDBC21914","53908","Present"
-"4',5,7,7'-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","4',5,7,7'-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=C2CC3(CC4=CC(=CC(=C4C3=O)C)C)C(=O)C2=C(C=C1)C","HZQZKNBFSCIMMZ-UHFFFAOYSA-N","393834",NA,"PDBC21915","696655","Present"
-"4',5-Dibromo-3-nitrosalicylanilide","","","","","","","","","","","","","","","","","","","","4',5-Dibromo-3-nitrosalicylanilide","","C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)Br)[N+](=O)[O-])O)Br","IXPKEGDIYPGSLP-UHFFFAOYSA-N","186163",NA,"PDBC21916","82019","Present"
-"4',5-Dihydroxy-3,3',7,8-tetramethoxyflavone","","","","","","","","","","","","","","","","","","","","ternatin///NSC678107","","COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC)O","DGUWNYKZOJRCQQ-UHFFFAOYSA-N","5459184",NA,"PDBC21917","640328///678107","Present"
-"4',6,7-Triacetoxyisoflavan","","","","","","","","","","","","","","","","","","","","4',6,7-Triacetoxyisoflavan","","CC(=O)OC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)OC(=O)C)OC(=O)C","HPOLZHAMVHDITJ-UHFFFAOYSA-N","353130",NA,"PDBC21918","600290","Present"
-"4',6-Dihydroxy-5,7-dimethoxyflavone","","","","","","","","","","","","","","","","","","","","47I715GZ5Q","","COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)OC)O","NFSSFGJGSUAWLF-UHFFFAOYSA-N","244386",NA,"PDBC21919","55273","Present"
-"4',7',10-Trihydroxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-indene]-1,1',3'-trione","","","","","","","","","","","","","","","","","","","","4',7',10-Trihydroxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-indene]-1,1',3'-trione","","CCCCCC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CCC3)C(=O)C5=C(C=CC(=C5C4=O)O)O","UCTIZVSIQQUEHW-UHFFFAOYSA-N","5468815",NA,"PDBC21920","676768","Present"
-"4',7'-Dibromospiro[1,3-dioxolane-2,12'-tetracyclo[5.4.1.02,6.08,11]dodec-4-ene]-3'-one","","","","","","","","","","","","","","","","","","","","4',7'-Dibromospiro[1,3-dioxolane-2,12'-tetracyclo[5.4.1.02,6.08,11]dodec-4-ene]-3'-one","","C1CC2C1C3C4C(C2(C35OCCO5)Br)C=C(C4=O)Br","IFVOJYBMKKNHBS-UHFFFAOYSA-N","276372",NA,"PDBC21921","124113","Present"
-"4'-(1H-Benzimidazol-2-yl)1,1biphenyl-4-amine","","","","","","","","","","","","","","","","","","","","4'-(1H-benzimidazol-2-yl)1,1biphenyl-4-amine","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C4=CC=C(C=C4)N","CAJHFCSQQKIMLW-UHFFFAOYSA-N","24205338",NA,"PDBC21922","735186","Present"
-"4'-(9-Acridinylamino)-3'-methoxyethanesulfonanilide methanesulfonate","","","","","","","","","","","","","","","","","","","","Ethanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyphen...","","CCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O","HPURJIOSFDKFBF-UHFFFAOYSA-N","151601",NA,"PDBC21923","243928","Present"
-"4'-(Acetyloxy)-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl acetate","","","","","","","","","","","","","","","","","","","","4'-(Acetyloxy)-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl acetate","","CC1=CC(=CC(=C1OC(=O)C)C)C2=CC(=C(C(=C2)C)OC(=O)C)C","LMLZWVLDNOFEBU-UHFFFAOYSA-N","382569",NA,"PDBC21924","670177","Present"
-"4'-(Chloroacetyl)acetanilide","","","","","","","","","","","","","","","","","","","","p-Acetamidophenacyl chloride","","CC(=O)NC1=CC=C(C=C1)C(=O)CCl","VMMDOCYDNRLESP-UHFFFAOYSA-N","8805",NA,"PDBC21925","768","Present"
-"4'-(Isobutylthio)avarone","","","","","","","","","","","","","","","","","","","","4'-Isobutylthio-avarone","","CC1CCC2(C(C1(C)CC3=CC(=O)C(=CC3=O)SCC(C)C)CCC=C2C)C","JRHVFNUSNXLPEX-CMRTURKBSA-N","6712610",NA,"PDBC21926","700503","Present"
-"4'-(Phenylthio)avarone","","","","","","","","","","","","","","","","","","","","4'-Phenylthio-avarone","","CC1CCC2(C(C1(C)CC3=CC(=O)C(=CC3=O)SC4=CC=CC=C4)CCC=C2C)C","NTWJQJYCHGTDBQ-QSFFNLKPSA-N","6712609",NA,"PDBC21927","700502","Present"
-"4'-Acetoxy-3,5-trimethoxybibenzyl","","","","","","","","","","","","","","","","","","","","4'-Acetoxy-3,4,5-trimethoxybibenzyl","","CC(=O)OC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC","MHNMUCZUHLEICK-UHFFFAOYSA-N","368082",NA,"PDBC21928","638412","Present"
-"4'-Amino-3'-methoxyflavone","","","","","","","","","","","","","","","","","","","","2-(4-Amino-3-methoxyphenyl)-4H-chromen-4-one","","COC1=C(C=CC(=C1)C2=CC(=O)C3=CC=CC=C3O2)N","DOCHWYMAUDTWFH-UHFFFAOYSA-N","366284",NA,"PDBC21929","634634","Present"
-"4'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide","","","","","","","","","","","","","","","","","","","","sanatol tr","","CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O","PSRNXESQSJEQMN-UHFFFAOYSA-N","66718",NA,"PDBC21930","50686","Present"
-"4'-Chloro-3-hydroxy-2-naphthanilide","","","","","","","","","","","","","","","","","","","","N-(4-chlorophenyl)-3-hydroxy-2-naphthamide","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O","OHAXNCGNVGGWSO-UHFFFAOYSA-N","66720",NA,"PDBC21931","751298","Present"
-"4'-Chloroaurone","","","","","","","","","","","","","","","","","","","","4'-Chloroaurone","","C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)Cl)O2","JIWJNEVCSMZRGO-ZROIWOOFSA-N","5467625",NA,"PDBC21932","657004","Present"
-"4'-Chloroflavanone","","","","","","","","","","","","","","","","","","","","4'-Chloroflavanone","","C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl","WPHGNXFETYBHNT-UHFFFAOYSA-N","242065",NA,"PDBC21933","50190","Present"
-"4'-Demethylknipholone","","","","","","","","","","","","","","","","","","","","4'-Demethylknipholone","","CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O)C(=O)C)O)C(=O)C4=C(C2=O)C(=CC=C4)O)O","ANEQQIJCYHLALG-UHFFFAOYSA-N","438991",NA,"PDBC21934","695598","Present"
-"4'-Deoxydoxorubicin hydrochloride","","","","","","","","","","","","","","","","","","","","Deoxydoxorubicin","","CC1CC(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N.Cl","RCFNNLSZHVHCEK-IMHLAKCZSA-N","24197577",NA,"PDBC21935","267469","Present"
-"4'-Ethylspiro[1,3-dioxolane-2,6'-1,4,7,8-tetrahydropyrano[3,4-f]indolizine]-3',10'-dione","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxolane-4,6'(1'H)-pyrano[3,4-f]indolizine]-3...","","CCC1C2=C(COC1=O)C(=O)N3CCC4(C3=C2)OCCO4","XPSBJTPRMIDKGX-UHFFFAOYSA-N","374897",NA,"PDBC21936","653437","Present"
-"4'-Fluoro-alpha-(9H-carbazole-2-yloxy)acetophenone O-methyloxime","","","","","","","","","","","","","","","","","","","","(Z)-2-(9H-Carbazol-2-yloxy)-1-(4-fluorophenyl)-N-methoxyethanimine","","CON=C(COC1=CC2=C(C=C1)C3=CC=CC=C3N2)C4=CC=C(C=C4)F","WZWYBAFYZFGTDU-DARPEHSRSA-N","11462173",NA,"PDBC21937","726372","Present"
-"4'-Hydroxy-1,3',5,5'-tetraphenyl-3,4'-bipiperidin-4-one, dihydroiodide","","","","","","","","","","","","","","","","","","","","4'-hydroxy-1,1'-dimethyl-3,3',5,5'-tetraphenyl-3,4'-bipi...","","CN1CC(C(C(C1)C2=CC=CC=C2)(C3(CN(CC(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5)O)C6=CC=CC=C6.I","NHNYEDDSKXYUAC-UHFFFAOYSA-N","54605585",NA,"PDBC21938","39207","Present"
-"4'-Hydroxy-3',8-dimethoxy flavanone","","","","","","","","","","","","","","","","","","","","4'-Hydroxy-3',8-dimethoxy flavanone","","COC1=CC=CC2=C1OC(CC2=C)C3=CC(=C(C=C3)O)OC","MXYXASHSXFVAMY-UHFFFAOYSA-N","369615",NA,"PDBC21939","641526","Present"
-"4'-Hydroxy-5,6,7-trimethoxyflavone","","","","","","","","","","","","","","","","","","","","OK09YO2BP5","","COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)OC)OC","PJRWXHDCKWSIRU-UHFFFAOYSA-N","243759",NA,"PDBC21940","53906","Present"
-"4'-I-Adriamycin","","","","","","","","","","","","","","","","","","","","4'-i-adriamycin","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)I.Cl","RIXHOXYAFWQBGU-UHFFFAOYSA-N","24200508",NA,"PDBC21941","378901","Present"
-"4'-Iodo-3-nitrosalicylanilide","","","","","","","","","","","","","","","","","","","","Usaf bv-11","","C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC=C(C=C2)I","TXGONIKXFWSNOU-UHFFFAOYSA-N","82692",NA,"PDBC21942","27102","Present"
-"4'-Methoxy-17'-methylspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-3'-ol","","","","","","","","","","","","","","","","","","","","4'-Methoxy-17'-methylspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-3'-ol","","CN1CCC23CC4(CCC2C1CC5=C3C(=C(C=C5)OC)O)OCCO4","JTYRAFPUZSECSU-UHFFFAOYSA-N","292211",NA,"PDBC21943","157870","Present"
-"4'-Methoxy-4-(3,4,5-trimethoxystyryl)chalcone","","","","","","","","","","","","","","","","","","","","(E)-1-(4-methoxyphenyl)-3-(4-(3,4,5-trimethoxystyryl)phe...","","COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC","JHZBWSMOTZRJHO-AKYRVGECSA-N","76336511",NA,"PDBC21944","768600","Present"
-"4'-Methoxy-alpha-(9H-carbazole-2-yloxy)acetophenone O-methyloxime","","","","","","","","","","","","","","","","","","","","(Z)-2-(9H-Carbazol-2-yloxy)-N-methoxy-1-(4-methoxyphenyl)ethanimine","","COC1=CC=C(C=C1)C(=NOC)COC2=CC3=C(C=C2)C4=CC=CC=C4N3","JSFZYWQUUVJBAB-ZNTNEXAZSA-N","11405724",NA,"PDBC21945","726373","Present"
-"4'-Methyl-2,2,4,4-tetraoxospiro[1,5,2,4-dioxadithiepane-3,2'-3H-phenalene]-1'-one","","","","","","","","","","","","","","","","","","","","4'-Methyl-2,2,4,4-tetraoxospiro[1,5,2,4-dioxadithiepane-3,2'-3H-phenalene]-1'-one","","CC1=C2CC3(C(=O)C4=CC=CC(=C24)C=C1)S(=O)(=O)OCCOS3(=O)=O","BMVDJEABTWNNQD-UHFFFAOYSA-N","389914",NA,"PDBC21946","686565","Present"
-"4'-Nitro-[1,1'-biphenyl]-2-amine","","","","","","","","","","","","","","","","","","","","5660AH","","C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])N","AMBSXARSPPODRO-UHFFFAOYSA-N","22658",NA,"PDBC21947","30863","Present"
-"4'-O-Prenylalpinumisoflavone","","","","","","","","","","","","","","","","","","","","Deoxyisoauriculatin","","CC(=CCOC1=CC=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)C","OHVOXMFXCZKNPR-UHFFFAOYSA-N","5459223",NA,"PDBC21948","652733","Present"
-"4'-Thioadenosine","","","","","","","","","","","","","","","","","","","","Adenosine, 4'-thio-","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(S3)CO)O)O)N","SIGIJBMOORTVPB-UHFFFAOYSA-N","98140",NA,"PDBC21949","82219","Present"
-"4'-methylpenduletin","","","","","","","","","","","","","","","","","","","","4'-methylpenduletin","","COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC","ADNCDMHZHONBRR-UHFFFAOYSA-N","5318355",NA,"PDBC21950","685704","Present"
-"4'a-Prop-2-enylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one","","","","","","","","","","","","","","","","","","","","4'a-Prop-2-enylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one","","C=CCC12CCC(=O)C=C1CCC3(C2)OCCO3","IEGFKZPXGZISTN-UHFFFAOYSA-N","359242",NA,"PDBC21951","619949","Present"
-"4(1H)-Pyrimidinone, 2,6-diamino-1-methyl-","","","","","","","","","","","","","","","","","","","","4(1H)-Pyrimidinone, 2,6-diamino-1-methyl-","","CN1C(=CC(=O)N=C1N)N","BAUWXNZGBVCTEM-UHFFFAOYSA-N","358313",NA,"PDBC21952","618274","Present"
-"4(1H)-Pyrimidinone, 5,6-dihydro-2-(methylthio)-1-(2,3,4-tri-O-acetylpentopyranosyl)-","","","","","","","","","","","","","","","","","","","","[4,5-Diacetoxy-6-(2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)tetrahydropyran-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2CCC(=O)N=C2SC","AMBHRAQWYQTWTM-UHFFFAOYSA-N","377340",NA,"PDBC21953","658777","Present"
-"4(1H)-Quinazolinone, 1-hexopyranosyl-5,6,7,8-tetrahydro-2-[(2-hydroxyethyl)methylamino]-","","","","","","","","","","","","","","","","","","","","2-[2-Hydroxyethyl(methyl)amino]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-one","","CN(CCO)C1=NC(=O)C2=C(N1C3C(C(C(C(O3)CO)O)O)O)CCCC2","DNWNLOXKODBEMY-UHFFFAOYSA-N","374608",NA,"PDBC21954","652577","Present"
-"4(1H)-Quinazolinone,3-dihydro-2-(4-methoxy-2,5-xylyl)-","","","","","","","","","","","","","","","","","","","","4(1H)-quinazolinone, 2,3-dihydro-2-(4-methoxy-2,5-xylyl)-","","CC1=CC(=C(C=C1OC)C)C2NC3=CC=CC=C3C(=O)N2","GHUXDCRYHKWJLP-UHFFFAOYSA-N","290655",NA,"PDBC21955","154756","Present"
-"4(1H)-Quinolinone, 3-ethyl-2-phenyl-","","","","","","","","","","","","","","","","","","","","4(1H)-Quinolinone, 3-ethyl-2-phenyl-","","CCC1=C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3","QEBSZHCSPHULQD-UHFFFAOYSA-N","382087",NA,"PDBC21956","669446","Present"
-"4(1H)-Quinolinone, 6-(1-pyrrolidinyl)-2-[3-(trifluoromethoxy)phenyl]-","","","","","","","","","","","","","","","","","","","","4(1H)-Quinolinone, 6-(1-pyrrolidinyl)- 2-[3-(trifluorome...","","C1CCN(C1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC(=CC=C4)OC(F)(F)F","IXOPCLABJYZIEL-UHFFFAOYSA-N","381608",NA,"PDBC21957","668421","Present"
-"4(1H)-Quinolinone, 6-chloro-1,3-dihydroxy-2-phenyl-","","","","","","","","","","","","","","","","","","","","4(1H)-Quinolinone, 6-chloro-1,3-dihydroxy-2-phenyl-","","C1=CC=C(C=C1)C2=C(C(=O)C3=C(N2O)C=CC(=C3)Cl)O","DFOWREBUCPFDLN-UHFFFAOYSA-N","367136",NA,"PDBC21958","636523","Present"
-"4(1H)-Quinolinone,3-dihydro-6-(1-pyrrolidinyl)-","","","","","","","","","","","","","","","","","","","","4(1H)-Quinolinone, 2-(3-chlorophenyl)-2,3-dihydro-6-(1-p...","","C1CCN(C1)C2=CC3=C(C=C2)NC(CC3=O)C4=CC(=CC=C4)Cl","ZOEQEDMPQAHJBM-UHFFFAOYSA-N","395560",NA,"PDBC21959","700266","Present"
-"4(1H)-Quinolone, 5,6,7,8-tetrahydro-2-phenyl-","","","","","","","","","","","","","","","","","","","","4(1H)-Quinolone, 5,6,7,8-tetrahydro-2-phenyl-","","C1CCC2=C(C1)C(=O)C=C(N2)C3=CC=CC=C3","JQAQWCPQGMLSGO-UHFFFAOYSA-N","343668",NA,"PDBC21960","400085","Present"
-"4(3H)-Pyrimidinone, 2-(1H-benzimidazol-2-ylamino)-5-ethyl-6-hydroxy-","","","","","","","","","","","","","","","","","","","","4(3H)-Pyrimidinone, 2-(1H-benzimidazol-2-ylamino)-5-ethyl-6-hydroxy-","","CCC1=C(N=C(NC1=O)NC2=NC3=CC=CC=C3N2)O","FOBTZKHFTADWOY-UHFFFAOYSA-N","380610",NA,"PDBC21961","666285","Present"
-"4(3H)-Pyrimidinone, 6-amino-2-(methylamino)-","","","","","","","","","","","","","","","","","","","","4(3H)-Pyrimidinone, 6-amino-2-(methylamino)-","","CNC1=NC(=CC(=O)N1)N","JFQJCNWEJFWWHQ-UHFFFAOYSA-N","135455590",NA,"PDBC21962","618282","Present"
-"4(3H)-Pyrimidinone, 6-methyl-2-(methylthio)-3-(2,3,4,6-tetra-O-acetylhexopyranosyl)-","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)oxan-2-yl]methyl acetate","","CC1=CC(=O)N(C(=N1)SC)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","WFLALMZWSCSJMU-UHFFFAOYSA-N","375921",NA,"PDBC21963","656257","Present"
-"4(3H)-Quinazolinone, 2-ethynyl-","","","","","","","","","","","","","","","","","","","","NSC772538","","C#CC1=NC2=CC=CC=C2C(=O)N1","NXANOEQIIMPYKO-UHFFFAOYSA-N","136695273",NA,"PDBC21964","772538","Present"
-"4(3H)-Quinazolinone, 3-[[(2-nitrophenyl)methylene]amino]-2-phenyl-","","","","","","","","","","","","","","","","","","","","4(3H)-Quinazolinone, 3-[[(2-nitrophenyl)methylene]amino]...","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N=CC4=CC=CC=C4[N+](=O)[O-]","OLFBCAHNOFQEPC-HYARGMPZSA-N","9556295",NA,"PDBC21965","685848","Present"
-"4, 1,1'-Bis[(6-methoxy-2-naphthalenyl)methyl]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","4,4'-Bipiperidine, 1,1'-bis[(6-methoxy- 2-naphthalenyl)m...","","COC1=CC2=C(C=C1)C=C(C=C2)CN3CCC(CC3)C4CCN(CC4)CC5=CC6=C(C=C5)C=C(C=C6)OC.Cl","LUPNOSLMQDNFBG-UHFFFAOYSA-N","388739",NA,"PDBC21966","683792","Present"
-"4, 1-[(6-Methoxy-2-naphthalenyl)methyl]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","4,4'-Bipiperidine, 1-[(6-methoxy-2-naphthalenyl)methyl]-...","","COC1=CC2=C(C=C1)C=C(C=C2)CN3CCC(CC3)C4CCNCC4.Cl","ZWWHQWHCOADMIU-UHFFFAOYSA-N","388737",NA,"PDBC21967","683791","Present"
-"4, N,N''-Bis[p-(methylamidino)phenyl]-, tetrahydrochloride","","","","","","","","","","","","","","","","","","","","[1,1'-Biphenyl]-4,4'-dicarboximidamide, N,N''-bis[4-[imi...","","CN=C(C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)C3=CC=C(C=C3)C(=NC4=CC=C(C=C4)C(=NC)N)N)N)N.Cl","CFKHZFVAAWSCPW-UHFFFAOYSA-N","54605955",NA,"PDBC21968","77883","Present"
-"4, N4,N4'-1,6-Hexanediylbis[2-methyl-, tetraacetate","","","","","","","","","","","","","","","","","","","","4,6-Quinolinediamine, N(4),N(4)-1,6-hexanediylbis[2-meth...","","CC1=CC(=C2C=C(C=CC2=N1)N)NCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)N.CC(=O)O","LSRAVPLRIOILDT-UHFFFAOYSA-N","21123062",NA,"PDBC21969","238146","Present"
-"4, N4,N4'-1,6-Hexanediylbis[N7,N7-dimethyl-","","","","","","","","","","","","","","","","","","","","4,7-Quinolinediamine, N(4),N(4')-1,6-hexanediylbis[N(7),...","","CN(C)C1=CC2=NC=CC(=C2C=C1)NCCCCCCNC3=C4C=CC(=CC4=NC=C3)N(C)C","HKCSFOBYHHXGJX-UHFFFAOYSA-N","329578",NA,"PDBC21970","313159","Present"
-"4, N4,N4'-1,8-Octanediylbis[2-methyl-, diacetate","","","","","","","","","","","","","","","","","","","","4,7-Quinolinediamine, N4,N4'-1,8-octanediylbis[2-methyl-...","","CC1=CC(=C2C=CC(=CC2=N1)N)NCCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N.CC(=O)O","FJMBEAPPZCQHEN-UHFFFAOYSA-N","21123157",NA,"PDBC21971","270904","Present"
-"4,10,12-Triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,11-pentaene","","","","","","","","","","","","","","","","","","","","4,10,12-Triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,11-pentaene","","C1=CC=C(C=C1)C2=NC3=NC=C4N(N=C(N4C3=C2)C5=CC=CC=C5)C6=CC=CC=C6","UJUGDZLKPDORTG-UHFFFAOYSA-N","45029436",NA,"PDBC21972","746803","Present"
-"4,10-Bis(3-ethynylphenyl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone","","","","","","","","","","","","","","","","","","","","4,8-Ethenobenzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)- t...","","C#CC1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)C6=CC=CC(=C6)C#C","FQMQJOTYMKWZHX-UHFFFAOYSA-N","365547",NA,"PDBC21973","633253","Present"
-"4,10-Diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaen-6-one;hydrobromide","","","","","","","","","","","","","","","","","","","","4,10-Diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaen-6-one;hydrobromide","","C1CC(=O)C2=NC=CC3=C2N(C1)C4=CC=CC=C34.Br","XYUNLYCEMOVSHE-UHFFFAOYSA-N","360605",NA,"PDBC21974","622809","Present"
-"4,10-Dihydroxy-1,7-phenanthroline-3,9-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","4,10-Dihydroxy-1,7-phenanthroline-3,9-dicarboxylic acid","","C1=CC2=C(C3=C1C(=O)C(=CN3)C(=O)O)C(=O)C(=CN2)C(=O)O","GIFCDUXKRJFRTJ-UHFFFAOYSA-N","278926",NA,"PDBC21975","128884","Present"
-"4,10-Dimethyl-3,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),2,5,8,11,13,15-heptaene-5,9-diamine","","","","","","","","","","","","","","","","","","","","4,10-Dimethyl-3,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),2,5,8,11,13,15-heptaene-5,9-diamine","","CN1C(=C2CC3=C(N(N=C3C4=CC=CC=C4C2=N1)C)N)N","WKEGKAPTUVUQTE-UHFFFAOYSA-N","386054",NA,"PDBC21976","677623","Present"
-"4,10-Dimethylbenzo[b][1,8]naphthyridin-5-one","","","","","","","","","","","","","","","","","","","","4,10-Dimethylbenzo[b][1,8]naphthyridin-5-one","","CC1=C2C(=O)C3=CC=CC=C3N(C2=NC=C1)C","LFCIHJQVGYEXJG-UHFFFAOYSA-N","391090",NA,"PDBC21977","689625","Present"
-"4,10-Dioxa-3,11-diazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),2,5,8,11,13,15-heptaene-5,9-diamine","","","","","","","","","","","","","","","","","","","","4,10-Dioxa-3,11-diazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),2,5,8,11,13,15-heptaene-5,9-diamine","","C1C2=C(ON=C2C3=CC=CC=C3C4=NOC(=C41)N)N","UKNXRMPGJWQLGS-UHFFFAOYSA-N","386053",NA,"PDBC21978","677622","Present"
-"4,10-Ethano-1,7-dimethyl-1,4,7,10-tetraazacyclotridecane","","","","","","","","","","","","","","","","","","","","5,11-Dimethyl-1,5,8,11-tetrazabicyclo[6.5.2]pentadecane","","CN1CCCN2CCN(CCN(CC1)CC2)C","IBPQXENBZARETM-UHFFFAOYSA-N","398650",NA,"PDBC21979","708809","Present"
-"4,11-Bis((4-methylphenyl)sulfonyl)-1,8-dithia-4,11-diazacyclotetradecane","","","","","","","","","","","","","","","","","","","","4,11-Bis((4-methylphenyl)sulfonyl)-1,8-dithia-4,11-diazacyclotetradecane","","CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCCN(CCCSCC2)S(=O)(=O)C3=CC=C(C=C3)C","IKDOVWDYZYKAAE-UHFFFAOYSA-N","373819",NA,"PDBC21980","650782","Present"
-"4,11-Bis(2-aminoethylamino)-3-[(dimethylamino)methyl]-1H-naphtho[2,3-f]indole-5,10-dione","","","","","","","","","","","","","","","","","","","","4,11-bis[(2-aminoethyl)amino]-3-[(dimethylamino)methyl]-...","","CN(C)CC1=CNC2=C1C(=C3C(=C2NCCN)C(=O)C4=CC=CC=C4C3=O)NCCN","SEOSAJHANWXCPY-UHFFFAOYSA-N","24203006",NA,"PDBC21981","726448","Present"
-"4,11-Bis[2-(2-hydroxyethylamino)ethylamino]-1H-naphtho[2,3-f]indole-5,10-dione","","","","","","","","","","","","","","","","","","","","4,11-bis[[2-[(2-hydroxyethyl)amino-]ethyl]amino]-1H-naph...","","C1=CC=C2C(=C1)C(=O)C3=C(C4=C(C(=C3C2=O)NCCNCCO)NC=C4)NCCNCCO","QMFUMLXBYPVCNG-UHFFFAOYSA-N","406502",NA,"PDBC21982","724629","Present"
-"4,11-Bis[2-(dimethylamino)ethylamino]-3-(hydroxymethyl)-1H-naphtho[2,3-f]indole-5,10-dione","","","","","","","","","","","","","","","","","","","","4,11-bis{[2-(dimethylamino)ethyl]amino}-3-(hydroxymethyl...","","CN(C)CCNC1=C2C(=C(C3=C1C(=CN3)CO)NCCN(C)C)C(=O)C4=CC=CC=C4C2=O","MTPSICXSXPVYIX-UHFFFAOYSA-N","24203003",NA,"PDBC21983","726445","Present"
-"4,11-Bis[2-(dimethylamino)ethylamino]-3-[(dimethylamino)methyl]-1H-naphtho[2,3-f]indole-5,10-dione","","","","","","","","","","","","","","","","","","","","4,11-bis[[2-(methylamino)ethyl]amino]-3-[(dimethylamino)...","","CN(C)CCNC1=C2C(=C(C3=C1C(=CN3)CN(C)C)NCCN(C)C)C(=O)C4=CC=CC=C4C2=O","DPWADAZNRUICMW-UHFFFAOYSA-N","24203002",NA,"PDBC21984","726444","Present"
-"4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione, 11-methyl-4-phenyl-","","","","","","","","","","","","","","","","","","","","4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione, 1...","","CN1C2C=CC(=O)C1C3C2C(=O)N(C3=O)C4=CC=CC=C4","RWCGNTKHOIIGNF-UHFFFAOYSA-N","343412",NA,"PDBC21985","382837","Present"
-"4,11-Diethyl-3,5-dihydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-14-one","","","","","","","","","","","","","","","","","","","","4,11-Diethyl-3,5-dihydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-14-one","","CCC1C2=CC(=O)OC3=C4C(C(C(OC4=C(C(C23)O1)CC=C(C)C)(C)O)(C)CC)O","GZTRBGOKFUFZBR-UHFFFAOYSA-N","393698",NA,"PDBC21986","696132","Present"
-"4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-triene-3,14-dione","","","","","","","","","","","","","","","","","","","","4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-triene-3,14-dione","","CCC1C2=CC(=O)OC3=C4C(=C(C(C23)O1)CC=C(C)C)OC(C(C4=O)(C)CC)(C)O","YDGLBQYSHITGMI-UHFFFAOYSA-N","393697",NA,"PDBC21987","696131","Present"
-"4,11-Dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-imine","","","","","","","","","","","","","","","","","","","","4,11-Dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-imine","","CN1CCC2=C(C1)SC3=C2C(=N)N(C=N3)C","ALWWYNFMXATIMB-UHFFFAOYSA-N","397286",NA,"PDBC21988","704839","Present"
-"4,11-Epithio-1H-naphth[2,3-f]isoindole-1,3(2H)-dione, 3a,4,11,11a-tetrahydro-2-phenyl-","","","","","","","","","","","","","","","","","","","","4,11-Epithio-1H-naphth[2,3-f]isoindole-1,3(2H)-dione, 3a,4,11,11a-tetrahydro-2-phenyl-","","C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC6=CC=CC=C6C=C5C3S4","FKHRJQRQRDBPQA-UHFFFAOYSA-N","363049",NA,"PDBC21989","627597","Present"
-"4,12,19,27-Tetrazatetracyclo[28.3.1.05,11.020,26]tetratriaconta-1(34),5,7,9,11,19,21,23,25,30,32-undecaene","","","","","","","","","","","","","","","","","","","","4,12,19,27-Tetrazatetracyclo[28.3.1.05,11.020,26]tetratriaconta-1(34),5,7,9,11,19,21,23,25,30,32-undecaene","","C1CCCN=C2C=CC=CC=C2NCCC3=CC=CC(=C3)CCNC4=CC=CC=CC4=NCC1","RSVJCIJLYCTDML-UHFFFAOYSA-N","358332",NA,"PDBC21990","618297","Present"
-"4,13,17,21-Pentamethyl-docosa-4,8,12,16,20-pentaenoic acid[1-(3,3-difluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-amide","","","","","","","","","","","","","","","","","","","","4,8,13,17,21-Pentamethyl-docosa-4,8,12,16,20-pentaenoic ...","","CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)F)C)C)C","XHTNLZSBAIUJKQ-XBIRMSLCSA-N","45028841",NA,"PDBC21991","744622","Present"
-"4,13-Dimethyl-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene;bromide","","","","","","","","","","","","","","","","","","","","4,13-Dimethyl-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene;bromide","","CC1=CC2=[N+](CC[N+]3=C2C=C(C=C3)C)C=C1.[Br-]","AJXYQVGHSRJLNL-UHFFFAOYSA-M","358067",NA,"PDBC21992","617846","Present"
-"4,13-Dimethyl-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one","","","","","","","","","","","","","","","","","","","","4,13-Dimethyl-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one","","CC1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)CC(S4)C","UJNYIIFLYZLAIS-UHFFFAOYSA-N","402555",NA,"PDBC21993","716579","Present"
-"4,13alpha-Epoxymuzigadial","","","","","","","","","","","","","","","","","","","","4,13.alpha.-Epoxymuzigadial","","CC1CCC2(C(C13CO3)CC=C(C2(C=O)O)C=O)C","IKBRISACRWTWBS-UHFFFAOYSA-N","362379",NA,"PDBC21994","626146","Present"
-"4,14-Bis(2-hydroxyethyl)-7,11-bis(sulfanylidene)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,13-dione","","","","","","","","","","","","","","","","","","","","4,14-Bis(2-hydroxyethyl)-7,11-bis(sulfanylidene)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,13-dione","","C1=C2C(=S)NC(=O)N(C2=NC3=C1C(=S)NC(=O)N3CCO)CCO","VQUYTOKRJNWJBX-UHFFFAOYSA-N","3906488",NA,"PDBC21995","700543","Present"
-"4,15,20,31-Tetramethoxy-6,8,11,13,22,24,27,29-octaazaheptacyclo(28.2.2.2(2,5).2(8,11).2(14,17).2(18,21).2(24,27))tetratetraconta-1(32),2,4,14,16,18,20,30,33,37,39,43-dodecaene-7,12,23,28-tetrone","","","","","","","","","","","","","","","","","","","","4,15,20,31-Tetramethoxy-6,8,11,13,22,24,27,29-octazaheptacyclo[28.2.2.22,5.28,11.214,17.218,21.224,27]tetratetraconta-1(32),2,4,14,16,18,20,30,33,37,39,43-dodecaene-7,12,23,28-tetrone","","COC1=C2C=CC(=C1)C3=CC(=C(C=C3)NC(=O)N4CCN(CC4)C(=O)NC5=C(C=C(C=C5)C6=CC(=C(C=C6)NC(=O)N7CCN(CC7)C(=O)N2)OC)OC)OC","RXTAFWDTBCAGPM-UHFFFAOYSA-N","235812",NA,"PDBC21996","37554","Present"
-"4,17beta-Dihydroxy-3-oxo-4-androstene-2-carbonitrile diacetate","","","","","","","","","","","","","","","","","","","","4,17.beta.-Dihydroxy-3-oxo-4-androstene- 2-carbonitrile ...","","CC(=O)OC1CCC2C1(CCC3C2CCC4=C(C(=O)C(CC34C)C#N)OC(=O)C)C","WDOBMYWYQITUSE-ANJWAGRGSA-N","362464",NA,"PDBC21997","626413","Present"
-"4,17beta-Dihydroxy-3-oxo-4-androstene-2-carbonitrile-17-acetate","","","","","","","","","","","","","","","","","","","","4,17.beta.-Dihydroxy-3-oxo-4-androstene -2-carbonitrile-...","","CC(=O)OC1CCC2C1(CCC3C2CCC4=C(C(=O)C(CC34C)C#N)O)C","MHUSDNCLXWFRLU-GWTFTYCASA-N","362465",NA,"PDBC21998","626414","Present"
-"4,2'-Disulfonic acid, tetrasodium salt","","","","","","","","","","","","","","","","","","","","QUINOBENE","","C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=CC(=C6C=CC=NC6=C5O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","LUJPSDYZJHCYQH-YAJWCRJYSA-N","135510137",NA,"PDBC21999","638352","Present"
-"4,2-Diyl}bi s[N-(2-aminophenyl)b enzamide]","","","","","","","","","","","","","","","","","","","","4,2-diyl}bi s[N-(2-aminophenyl)b enzamide]","","C=C(CN(CCN1CCOCC1)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","SZJXZAIAHBKAOO-UHFFFAOYSA-N","24203889",NA,"PDBC22000","730006","Present"
-"4,2-Pohenylenebis(oxymethylene)]bisbenzenecarboximidam ide, dihydrochloride salt","","","","","","","","","","","","","","","","","","","","4,4'-[1,2-pohenylenebis(oxymethylene)]bisbenzenecarboxim...","","C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=N)N)OCC3=CC=C(C=C3)C(=N)N.Cl","SUAVPMRTKRWMAF-UHFFFAOYSA-N","24203367",NA,"PDBC22001","727670","Present"
-"4,3-Phenylenebis(methyleneoxy)] bisbenzenecarboximidamide, dihydrochloride salt","","","","","","","","","","","","","","","","","","","","4,4'-[1,3-phenylenebis(methyleneoxy)] bisbenzenecarboxim...","","C1=CC(=CC(=C1)COC2=CC=C(C=C2)C(=N)N)COC3=CC=C(C=C3)C(=N)N.Cl","OHYCPCMYFBOJMX-UHFFFAOYSA-N","24203365",NA,"PDBC22002","727667","Present"
-"4,3-f] Indole-5,10-dione","","","","","","","","","","","","","","","","","","","","4,11-dihydroxy-1-[4-(1-piperidinyl)-butyl]-1H-naphtho[2,...","","C1CCN(CC1)CCCCN2C=CC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O","IFUVNVBJKAZYEC-UHFFFAOYSA-N","406505",NA,"PDBC22003","724632","Present"
-"4,3-f] Indole-5,10-dione diacetate","","","","","","","","","","","","","","","","","","","","4,11- bis[(2-aminoethyl)amino]-3-(hydroxymethyl)-1H-naph...","","CC(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C4=C(C(=C3C2=O)NCCN)NC=C4CO)NCCN","OUYONVLGFXWCQL-UHFFFAOYSA-N","24203007",NA,"PDBC22004","726449","Present"
-"4,3-f]In dole-5,10-dione","","","","","","","","","","","","","","","","","","","","4,11-bis[[2-(dimethylamino)ethyl]-amino]-1H-naphtho[2,3-...","","CN(C)CCNC1=C2C(=C(C3=C1C=CN3)NCCN(C)C)C(=O)C4=CC=CC=C4C2=O","ZRXDVCHRRZECNK-UHFFFAOYSA-N","406501",NA,"PDBC22005","724628","Present"
-"4,3-f]Indo le-5,10-dione diacetate","","","","","","","","","","","","","","","","","","","","4,11-bis[(2-aminoethyl)amino]-1-methyl-1H-naphtho[2,3-f]...","","CC(=O)O.CN1C=CC2=C(C3=C(C(=C21)NCCN)C(=O)C4=CC=CC=C4C3=O)NCCN","JCGRNDINOJWIGN-UHFFFAOYSA-N","24202987",NA,"PDBC22006","726434","Present"
-"4,3-f]Indo le-5,10-dione dihydrochloride","","","","","","","","","","","","","","","","","","","","4,11-dihydroxy-3-(1-piperazinylmethyl)-1H-naphtho[2,3-f]...","","C1CN(CCN1)CC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O.Cl","FQHGQCVNTJXWDP-UHFFFAOYSA-N","135585399",NA,"PDBC22007","726440","Present"
-"4,3-f]Indol e-5,10-dione","","","","","","","","","","","","","","","","","","","","4,11-bis[[2-(methylamino)ethyl]amino]-1H-naphtho[2,3-f]i...","","CNCCNC1=C2C(=C(C3=C1C=CN3)NCCNC)C(=O)C4=CC=CC=C4C2=O","AXSQZZOUJLWOOO-UHFFFAOYSA-N","16007259",NA,"PDBC22008","726436","Present"
-"4,3-f]Indole-5,10-d ione","","","","","","","","","","","","","","","","","","","","4,11-bis[(2-aminoethyl)amino]-1H-naphtho[2,3-f]indole-5,...","","C1=CC=C2C(=C1)C(=O)C3=C(C4=C(C(=C3C2=O)NCCN)NC=C4)NCCN","GWNRWDLWFKJZKW-UHFFFAOYSA-N","406500",NA,"PDBC22009","724627","Present"
-"4,3-f]i Ndole-5,10-dione","","","","","","","","","","","","","","","","","","","","4,11-dihydroxy-1-[4-(4-morpholinyl)butyl]-1H-naphtho[2,3...","","C1COCCN1CCCCN2C=CC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O","PSPYFCFGMNYFMG-UHFFFAOYSA-N","406506",NA,"PDBC22010","724633","Present"
-"4,31-Dimethyl-13,16,19,22,40,43,46,49-octakis-(4-methylphenyl)sulfonyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-octadecazapentacyclo[50.2.2.27,10.225,28.234,37]dohexacontane","","","","","","","","","","","","","","","","","","","","4,31-Dimethyl-13,16,19,22,40,43,46,49-octakis-(4-methylphenyl)sulfonyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-octadecazapentacyclo[50.2.2.27,10.225,28.234,37]dohexacontane","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN3CCN(CCN(CCN4CCN(CC4)CCN(CCN(CCN(CCN(CCN5CCN(CCN(CCN6CCN(CC6)CCN(CCN(CCN(CC2)S(=O)(=O)C7=CC=C(C=C7)C)S(=O)(=O)C8=CC=C(C=C8)C)S(=O)(=O)C9=CC=C(C=C9)C)C)CC5)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)C)CC3","JBBLUWZUMNUUHT-UHFFFAOYSA-N","387902",NA,"PDBC22011","682133","Present"
-"4,4',5',6-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","4,4',5',6-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=C(C=C(C=C4C3=O)C)C)C","MUDLXEBQQNPLKQ-UHFFFAOYSA-N","393833",NA,"PDBC22012","696654","Present"
-"4,4',5',7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","4,4',5',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=C(C=CC(=C4C3=O)C)C)C","LWHLLQXQLNXHLH-UHFFFAOYSA-N","393824",NA,"PDBC22013","696645","Present"
-"4,4',5,5',6,6'-Hexahydroxy[1,1'-biphenyl]-2,2'-dicarbaldehyde","","","","","","","","","","","","","","","","","","","","4,4',5,5',6,6'-Hexahydroxy[1,1'-biphenyl]-2,2'-dicarbaldehyde","","C1=C(C(=C(C(=C1O)O)O)C2=C(C(=C(C=C2C=O)O)O)O)C=O","KIYPEIJLQVMIMH-UHFFFAOYSA-N","372290",NA,"PDBC22014","647349","Present"
-"4,4',5,5'-Tetramethoxy[1,1'-biphenyl]-2,2'-dicarbaldehyde","","","","","","","","","","","","","","","","","","","","4,4',5,5'-Tetramethoxy[1,1'-biphenyl]-2,2'-dicarbaldehyde","","COC1=C(C=C(C(=C1)C=O)C2=CC(=C(C=C2C=O)OC)OC)OC","LCUJDGQKKNLFOJ-UHFFFAOYSA-N","372289",NA,"PDBC22015","647347","Present"
-"4,4'-(1E,1'E)-2,2'-(1-Phenyl-1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol)","","","","","","","","","","","","","","","","","","","","3,5-bis(4-hydroxy-3-methoxystyryl)-1H-pyrazole-1-phenyl","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C3=CC=CC=C3)C=CC4=CC(=C(C=C4)O)OC)O","QUOCIDQIFWYHLB-QHKWOANTSA-N","135440402",NA,"PDBC22016","757929","Present"
-"4,4'-(2,7-Dimethyloctane-2,7-diyl)bis(1,3-diazetidin-2-one)","","","","","","","","","","","","","","","","","","","","4,4'-(2,7-Dimethyloctane-2,7-diyl)bis(1,3-diazetidin-2-one)","","CC(C)(CCCCC(C)(C)C1NC(=O)N1)C2NC(=O)N2","MCZQIBGWHRTFPI-UHFFFAOYSA-N","379206",NA,"PDBC22017","663617","Present"
-"4,4'-(Decamethylenebisoxy)bisbenzamidine","","","","","","","","","","","","","","","","","","","","Decamidine","","C1=CC(=CC=C1C(=N)N)OCCCCCCCCCCOC2=CC=C(C=C2)C(=N)N","MADWRMXDSAGCDJ-UHFFFAOYSA-N","73892806",NA,"PDBC22018","797623","Present"
-"4,4'-(Decylcarbonimidoyl)bis(n,n-dimethylaniline)","","","","","","","","","","","","","","","","","","","","NSC30083","","CCCCCCCCCCN=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C","GEMLALBJYTZAJC-UHFFFAOYSA-N","232517",NA,"PDBC22019","30083","Present"
-"4,4'-(Dithiodimethylene)dipyridine","","","","","","","","","","","","","","","","","","","","5JVO6RU58B","","C1=CN=CC=C1CSSCC2=CC=NC=C2","DAVWLGVBAUGEOK-UHFFFAOYSA-N","199500",NA,"PDBC22020","92988","Present"
-"4,4'-(Hydroxyphosphoryl)bis(3-bromobenzoic acid)","","","","","","","","","","","","","","","","","","","","4,4'-(Hydroxyphosphoryl)bis(3-bromobenzoic acid)","","C1=CC(=C(C=C1C(=O)O)Br)P(=O)(C2=C(C=C(C=C2)C(=O)O)Br)O","CDDLJPJHIZMBOV-UHFFFAOYSA-N","380788",NA,"PDBC22021","666498","Present"
-"4,4'-(Piperazine-1,4-diyl)dibenzaldehyde","","","","","","","","","","","","","","","","","","","","4,4'-(1,4-piperazinediyl)bisbenzaldehyde","","C1CN(CCN1C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O","FZUIYMOPBHBVJH-UHFFFAOYSA-N","3006251",NA,"PDBC22022","725988","Present"
-"4,4'-Azoxyanisole","","","","","","","","","","","","","","","","","","","","NSC694092","","COC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OC)[O-]","KAEZRSFWWCTVNP-UHFFFAOYSA-N","15277",NA,"PDBC22023","694092","Present"
-"4,4'-Azoxybis[N-(5-methyl-3-isoxazolyl)-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Azoxysulfamethoxazole (1,2-bis[4-(5-methylisoxazol-3-yl-...","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=[N+](C3=CC=C(C=C3)S(=O)(=O)NC4=NOC(=C4)C)[O-]","AYMVIVQKFDDNLC-UHFFFAOYSA-N","380145",NA,"PDBC22024","665548","Present"
-"4,4'-Bis(4-chlorophenyl)-7,7,7',7'-tetramethyl-2,2'-spirobi[3,4,6,8-tetrahydrochromene]-5,5'-dione","","","","","","","","","","","","","","","","","","","","4,4'-bis(4-chlorophenyl)-7,7,7',7'-tetramethyl-2,2'-spirobi[3,4,6,8-tetrahydrochromene]-5,5'-dione","","CC1(CC2=C(C(CC3(O2)CC(C4=C(O3)CC(CC4=O)(C)C)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C(=O)C1)C","KSFUQJLKQNDMGJ-UHFFFAOYSA-N","394688",NA,"PDBC22025","698291","Present"
-"4,4'-Bis(diethylamino)benzophenone","","","","","","","","","","","","","","","","","","","","NSC70660","","CCN(CC)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC)CC","VYHBFRJRBHMIQZ-UHFFFAOYSA-N","66663",NA,"PDBC22026","70660","Present"
-"4,4'-Bis(dimethylamino)thiobenzophenone","","","","","","","","","","","","","","","","","","","","michler's thione","","CN(C)C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)N(C)C","KFUJUTFTRXYQMG-UHFFFAOYSA-N","71045",NA,"PDBC22027","30656","Present"
-"4,4'-Bis[2-chlorothiophene]","","","","","","","","","","","","","","","","","","","","AI-942/13331095","","C1=C(SC=C1C2=CSC(=C2)Cl)Cl","IDMNNVXJHIIHOP-UHFFFAOYSA-N","329490",NA,"PDBC22028","312629","Present"
-"4,4'-Diamidinostilbene dihydrochloride","","","","","","","","","","","","","","","","","","","","stilbamidine dihydrochloride","","C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=N)N)C(=N)N.Cl","GXRWPOFISPKCFY-TYYBGVCCSA-N","54601068",NA,"PDBC22029","35605","Present"
-"4,4'-Dihydroxybenzophenone 2,4-dinitro-5-chlorophenylhydrazone","","","","","","","","","","","","","","","","","","","","4-[N-(5-Chloro-2,4-dinitroanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol","","C1=CC(=CC=C1C(=NNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)C3=CC=C(C=C3)O)O","PIVWNMNUOAHWRO-UHFFFAOYSA-N","135546138",NA,"PDBC22030","746311","Present"
-"4,4'-Dihydroxychalcone","","","","","","","","","","","","","","","","","","","","CKY3J88Z94","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)O)O","FZQLEXXZAVVCCA-XCVCLJGOSA-N","5467477",NA,"PDBC22031","652891","Present"
-"4,4'-Dihydroxystilbene","","","","","","","","","","","","","","","","","","","","p,p'-Dihydroxystilbene","","C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)O","XLAIWHIOIFKLEO-OWOJBTEDSA-N","5282363",NA,"PDBC22032","4184","Present"
-"4,4'-Dimethyl-5,5'-bis((E)-1-(2-phenylhydrazono)ethyl)-2,2'-bithiazole","","","","","","","","","","","","","","","","","","","","N-[(E)-1-[2-[5-[(E)-N-Anilino-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]aniline","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=NNC3=CC=CC=C3)C)C)C(=NNC4=CC=CC=C4)C","LRXLIASYQGTLOH-XUIWWLCJSA-N","9555852",NA,"PDBC22033","642071","Present"
-"4,4'-Dinitrobenzanilide","","","","","","","","","","","","","","","","","","","","NSC15360///NSC38562","","C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","NOMOTPVSNBNBSG-UHFFFAOYSA-N","80625",NA,"PDBC22034","15360///38562","Present"
-"4,4'-Dithio-5,5'-bi[1,3-dithiol-2-one]","","","","","","","","","","","","","","","","","","","","3,5,7,8,10,12-Hexathiatricyclo[7.3.0.02,6]dodeca-1(9),2(6)-diene-4,11-dione","","C12=C(SC(=O)S1)SSC3=C2SC(=O)S3","YTGPGBUKPDTQAT-UHFFFAOYSA-N","391274",NA,"PDBC22035","690228","Present"
-"4,4'-Dithiodimorpholine","","","","","","","","","","","","","","","","","","","","Accel R","","C1COCCN1SSN2CCOCC2","HLBZWYXLQJQBKU-UHFFFAOYSA-N","7648",NA,"PDBC22036","65239","Present"
-"4,4'-Methylenebis(2,6-dimethylphenol)","","","","","","","","","","","","","","","","","","","","4,4'-methylenedi-2,6-xylenol","","CC1=CC(=CC(=C1O)C)CC2=CC(=C(C(=C2)C)O)C","AZZWZMUXHALBCQ-UHFFFAOYSA-N","79345",NA,"PDBC22037","128403","Present"
-"4,4'-Methylenebis[2-(propyliminomethyl)phenol]","","","","","","","","","","","","","","","","","","","","Phenol, 4,4'-methylenebis[2-[(propylimino)methyl]-","","CCCN=CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)O)C=NCCC)O","UCQKDEGUCMGLEC-UHFFFAOYSA-N","318342",NA,"PDBC22038","254304","Present"
-"4,4'-Sulfinyldiphenol","","","","","","","","","","","","","","","","","","","","4,4'-sulfinyldiphenol","","C1=CC(=CC=C1O)S(=O)C2=CC=C(C=C2)O","RQCACQIALULDSK-UHFFFAOYSA-N","74497",NA,"PDBC22039","1806","Present"
-"4,4'-Sulfonylbis(7H-benzimidazo[2,1-a]benzo[de]isoquinoline-7-one)","","","","","","","","","","","","","","","","","","","","15-[(11-Oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)sulfonyl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-n","","C1=CC=C2C(=C1)N=C3N2C(=O)C4=C5C3=CC=CC5=C(C=C4)S(=O)(=O)C6=C7C=CC=C8C7=C(C=C6)C(=O)N9C8=NC1=CC=CC=C19","PAZQQCMVOCVSQF-UHFFFAOYSA-N","341016",NA,"PDBC22040","372364","Present"
-"4,4'-Sulfonylbis[(4,1-phenylene)(1,3,4-oxadiazole-5,2-diyl)]bis(1-fluorobenzene)","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenyl)-5-[4-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazole","","C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C5=NN=C(O5)C6=CC=C(C=C6)F)F","COUSZAQHMZXOPS-UHFFFAOYSA-N","403541",NA,"PDBC22041","718557","Present"
-"4,4'-Thiobis(6-tert-butyl-m-cresol)","","","","","","","","","","","","","","","","","","","","santox","","CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O","HXIQYSLFEXIOAV-UHFFFAOYSA-N","7308",NA,"PDBC22042","35388","Present"
-"4,4'-Thiobis[3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol]","","","","","","","","","","","","","","","","","","","","4,4'-Thiobis[3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol]","","CC1(C2C1CC(C(C2)SC3CC4C(C4(C)C)CC3(C)O)(C)O)C","VTOLOYGWYKBTJJ-UHFFFAOYSA-N","375777",NA,"PDBC22043","655930","Present"
-"4,4'-Trimethylenebis(1-(2,4-dinitrophenyl)piperidine)","","","","","","","","","","","","","","","","","","","","1-(2,4-Dinitrophenyl)-4-[3-[1-(2,4-dinitrophenyl)piperidin-4-yl]propyl]piperidine","","C1CN(CCC1CCCC2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","PESNHXWDXMFKOM-UHFFFAOYSA-N","292552",NA,"PDBC22044","158378","Present"
-"4,4'-Vinylenedipyridine","","","","","","","","","","","","","","","","","","","","WLN: T6NJ D1U1- DT6NJ","","C1=CN=CC=C1C=CC2=CC=NC=C2","MGFJDEHFNMWYBD-OWOJBTEDSA-N","776222",NA,"PDBC22045","11470","Present"
-"4,4'-[N-(2-Iminoethylene) N-methyl imino)benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4,4'-[N-(2-iminoethylene) N-methyl imino)benzenecarboxim...","","CN(CCNC1=CC=C(C=C1)C(=N)N)C2=CC=C(C=C2)C(=N)N.Cl","QZGXJSAMGVAJMU-UHFFFAOYSA-N","45028251",NA,"PDBC22046","741916","Present"
-"4,4':3,4]Cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,octahydro-2,6-bis(hydroxymethyl)-","","","","","","","","","","","","","","","","","","","","4,8-Ethanopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3...","","C1CC2C3C(C1C4C2C(=O)N(C4=O)CO)C5C3C(=O)N(C5=O)CO","RBVWZKYMWFROTK-UHFFFAOYSA-N","341961",NA,"PDBC22047","376598","Present"
-"4,4,11,11-Tetramethyl-8-[(E)-2-nitroethenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane","","","","","","","","","","","","","","","","","","","","4,4,11,11-Tetramethyl-8-[(E)-2-nitroethenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane","","CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)C=C[N+](=O)[O-])C","PDOCTJUENKPCLN-AATRIKPKSA-N","5386824",NA,"PDBC22048","618262","Present"
-"4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1,3-butanediol","","","","","","","","","","","","","","","","","","","","4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1,3-butanediol","","COC1=CC=C(C=C1)C(CC(C(F)(F)F)(C(F)(F)F)O)O","AZJHEHMCDGFJGU-UHFFFAOYSA-N","379596",NA,"PDBC22049","664290","Present"
-"4,4,4-Trifluoro-3-hydroxy-1-(2-methoxyphenyl)-3-(trifluoromethyl)-2-butanone","","","","","","","","","","","","","","","","","","","","4,4,4-Trifluoro-3-hydroxy-1-(2-methoxyphenyl)-3-(trifluoromethyl)-2-butanone","","COC1=CC=CC=C1CC(=O)C(C(F)(F)F)(C(F)(F)F)O","DSPRLNCWLPBSOB-UHFFFAOYSA-N","379586",NA,"PDBC22050","664275","Present"
-"4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone","","","","","","","","","","","","","","","","","","","","4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone","","C1=CSC(=C1)C(=O)CC(C(F)(F)F)(C(F)(F)F)O","XYURDMMAZIHRCO-UHFFFAOYSA-N","293450",NA,"PDBC22051","160047","Present"
-"4,4,4-Trifluoro-3-hydroxy-1-(3-(hydroxy(oxido)amino)-4-methylphenyl)-3-(trifluoromethyl)-1-butanone","","","","","","","","","","","","","","","","","","","","4,4,4-Trifluoro-3-hydroxy-1-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)butan-1-one","","CC1=C(C=C(C=C1)C(=O)CC(C(F)(F)F)(C(F)(F)F)O)[N+](=O)[O-]","MLXSNTXMNHRXLH-UHFFFAOYSA-N","379529",NA,"PDBC22052","664193","Present"
-"4,4,4-Trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one","","","","","","","","","","","","","","","","","","","","4,4,4-Trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one","","CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CC(C(F)(F)F)O)C)O","JVSPILBDVWXPBS-UHFFFAOYSA-N","239763",NA,"PDBC22053","45236","Present"
-"4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)-1-butanone hydrazone","","","","","","","","","","","","","","","","","","","","4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)-1-butanone hydrazone","","C1=CC=C(C=C1)C(=NN)CC(C(F)(F)F)(C(F)(F)F)O","MOLVZKURSYCJAE-UWVJOHFNSA-N","5915856",NA,"PDBC22054","659226","Present"
-"4,4,4-Triphenylbutanoic acid","","","","","","","","","","","","","","","","","","","","4,4,4-Triphenylbutanoic acid","","C1=CC=C(C=C1)C(CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3","UGHIPOMCWKJUAO-UHFFFAOYSA-N","270495",NA,"PDBC22055","112938","Present"
-"4,4,5,5-Tetraphenyl-1,3,2-dioxathiolane 2-oxide","","","","","","","","","","","","","","","","","","","","4,4,5,5-Tetraphenyl-1,3,2-dioxathiolane 2-oxide","","C1=CC=C(C=C1)C2(C(OS(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","PTYZVNIRLCVZBR-UHFFFAOYSA-N","368852",NA,"PDBC22056","640188","Present"
-"4,4,6,6-Tetramethyl-11-oxabicyclo[8.1.0]undecan-5-one","","","","","","","","","","","","","","","","","","","","4,4,6,6-Tetramethyl-11-oxabicyclo[8.1.0]undecan-5-one","","CC1(CCCC2C(O2)CCC(C1=O)(C)C)C","LTVIPBUWHMQWRE-UHFFFAOYSA-N","385894",NA,"PDBC22057","677295","Present"
-"4,4,6,6-Tetramethyl-2-(4-pyridinyl)tetrahydroimidazo[1,5-b]isoxazol-5(6H)-ol","","","","","","","","","","","","","","","","","","","","4,4,6,6-Tetramethyl-2-(4-pyridinyl)tetrahydroimidazo[1,5-b]isoxazol-5(6H)-ol","","CC1(C2CC(ON2C(N1O)(C)C)C3=CC=NC=C3)C","MMXWVGSFZSUFAB-UHFFFAOYSA-N","379391",NA,"PDBC22058","663933","Present"
-"4,4,6,6-Tetramethylbicyclo[14.1.0]heptadecan-5-one","","","","","","","","","","","","","","","","","","","","4,4,6,6-Tetramethylbicyclo[14.1.0]heptadecan-5-one","","CC1(CCCCCCCCCC2CC2CCC(C1=O)(C)C)C","QZCPFYFRNPXOMG-UHFFFAOYSA-N","385897",NA,"PDBC22059","677298","Present"
-"4,4,6,6-Tetramethylbicyclo[8.1.0]undecan-5-one","","","","","","","","","","","","","","","","","","","","4,4,6,6-Tetramethylbicyclo[8.1.0]undecan-5-one","","CC1(CCCC2CC2CCC(C1=O)(C)C)C","IJLDONZBPOELHD-UHFFFAOYSA-N","385895",NA,"PDBC22060","677296","Present"
-"4,4,7,7,11,11-Hexamethyl-5,6,6c,12,13,14b-hexahydro-4H,7H,11H-chromeno[5',6':4,5]furo[3,2-c]pyrano[3,2-g]chromene","","","","","","","","","","","","","","","","","","","","7,7,13,13,19,19-Hexamethyl-8,12,20,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-2(11),3,9,15(24),16(21),22-hexaene","","CC1(CCC2=CC3=C(C=C2O1)OC(C4C3OC5=C4C6=C(C=C5)OC(CC6)(C)C)(C)C)C","RBXIIYKLGLKWAW-UHFFFAOYSA-N","361269",NA,"PDBC22061","624211","Present"
-"4,4,8,8-Tetramethoxy-1,7-dioxido-[1,2,5]oxadiazolo[3,4-f][2,1,3]benzoxadiazole-1,7-diium","","","","","","","","","","","","","","","","","","","","4,5-c']bis[1,2,5]oxadiazole-1,7-diol","","COC1(C2=NO[N+](=C2C(C3=[N+](ON=C31)[O-])(OC)OC)[O-])OC","ZOFXXAJBJNPLEV-UHFFFAOYSA-N","379425",NA,"PDBC22062","663967","Present"
-"4,4-Bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acid","","","","","","","","","","","","","","","","","","","","A805455","","CC(CCC(=O)O)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br","OFLOJYUEVWVCRY-UHFFFAOYSA-N","228569",NA,"PDBC22063","21588","Present"
-"4,4-Bis(3,5-dimethylpyrazolyl)-1,1-dichlorobut-3-en-2-one","","","","","","","","","","","","","","","","","","","","4,4-bis(3,5-dimethylpyrazole)-1,1-dichloro-but-3-ene-2-one","","CC1=CC(=NN1C(=CC(=O)C(Cl)Cl)N2C(=CC(=N2)C)C)C","NLZOIUKAARPRPV-UHFFFAOYSA-N","405832",NA,"PDBC22064","723518","Present"
-"4,4-Dianilino-1,1,3-trichloro-3-buten-2-one","","","","","","","","","","","","","","","","","","","","4,4-Dianilino-1,1,3-trichloro-3-buten-2-one","","C1=CC=C(C=C1)NC(=C(C(=O)C(Cl)Cl)Cl)NC2=CC=CC=C2","HVVAPRILWHZUKT-UHFFFAOYSA-N","384036",NA,"PDBC22065","673147","Present"
-"4,4-Dibromo-1-(3-bromo-4-methylpentyl)cyclopentene","","","","","","","","","","","","","","","","","","","","4,4-Dibromo-1-(3-bromo-4-methylpentyl)cyclopentene","","CC(C)C(CCC1=CCC(C1)(Br)Br)Br","GYJJSILBKLZXCB-UHFFFAOYSA-N","382925",NA,"PDBC22066","670802","Present"
-"4,4-Dibromo-6-methyltricyclo[4.4.0.02,7]decan-3-one","","","","","","","","","","","","","","","","","","","","Tricyclo[4.4.0.0(2,7)]decane-5-one, 4,4-dibromo-2-methyl-","","CC12CC(C(=O)C3C1CCCC23)(Br)Br","BCMYWQPYOXUYLB-UHFFFAOYSA-N","361332",NA,"PDBC22067","624358","Present"
-"4,4-Dibutyl-3,5-dioxa-11-aza-4-stannabicyclo[5.3.1]undeca-1(10),7-diene-2,6,9-trione","","","","","","","","","","","","","","","","","","","","4,4-Dibutyl-3,5-dioxa-11-aza-4-stannabicyclo[5.3.1]undeca-1(10),7-diene-2,6,9-trione","","","","",NA,"PDBC22068","628580","Present"
-"4,4-Dichloro-2,3-bis(trimethylsilyl)cyclobut-2-en-1-one","","","","","","","","","","","","","","","","","","","","4,4-Dichloro-2,3-bis(trimethylsilyl)-2-cyclobuten-1-one","","C[Si](C)(C)C1=C(C(C1=O)(Cl)Cl)[Si](C)(C)C","XZWMITGVWSSHQN-UHFFFAOYSA-N","386475",NA,"PDBC22069","678501","Present"
-"4,4-Dichloro-2,3-diphenylcyclobut-2-en-1-one","","","","","","","","","","","","","","","","","","","","2-Cyclobuten-1-one, 4,4-dichloro-2,3-diphenyl-","","C1=CC=C(C=C1)C2=C(C(C2=O)(Cl)Cl)C3=CC=CC=C3","PZVIDSXGKLDCJM-UHFFFAOYSA-N","386476",NA,"PDBC22070","678502","Present"
-"4,4-Dichloro-3-pentyl-2-cyclobuten-1-one","","","","","","","","","","","","","","","","","","","","1-Cyclobuten-3-one, 4,4-dichloro-1-pentyl-","","CCCCCC1=CC(=O)C1(Cl)Cl","ZBKIZLWSUASELA-UHFFFAOYSA-N","386477",NA,"PDBC22071","678503","Present"
-"4,4-Diethyl-1,2-bis(3,4,5-trimethoxybenzoyl)pyrazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4,4-Diethyl-1,2-bis(3,4,5-trimethoxybenzoyl)pyrazolidine-3,5-dione","","CCC1(C(=O)N(N(C1=O)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)CC","CZOBBLJJGIZKRW-UHFFFAOYSA-N","388184",NA,"PDBC22072","682749","Present"
-"4,4-Diethyl-1,2-bis(4-methylbenzoyl)pyrazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4,4-Diethyl-1,2-bis(4-methylbenzoyl)pyrazolidine-3,5-dione","","CCC1(C(=O)N(N(C1=O)C(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C)CC","OOYYZTRKMMSLOT-UHFFFAOYSA-N","388183",NA,"PDBC22073","682748","Present"
-"4,4-Diethyl-1,2-dipropionyl-3,5-pyrazolidinedione","","","","","","","","","","","","","","","","","","","","4,4-Diethyl-1,2-dipropionyl-3,5-pyrazolidinedione","","CCC(=O)N1C(=O)C(C(=O)N1C(=O)CC)(CC)CC","BTKHZIHXSAKXCF-UHFFFAOYSA-N","388182",NA,"PDBC22074","682747","Present"
-"4,4-Diethyl-1-propionyl-3,5-pyrazolidinedione","","","","","","","","","","","","","","","","","","","","4,4-Diethyl-1-propionyl-3,5-pyrazolidinedione","","CCC(=O)N1C(=O)C(C(=O)N1)(CC)CC","DBYAJUBDHPIZFB-UHFFFAOYSA-N","388179",NA,"PDBC22075","682744","Present"
-"4,4-Diiodo-3-phenyl-3-buten-2-one","","","","","","","","","","","","","","","","","","","","4,4-diiodo-3-phenyl-3-buten-2-one","","CC(=O)C(=C(I)I)C1=CC=CC=C1","YAUITSQVLXYQDV-UHFFFAOYSA-N","380945",NA,"PDBC22076","666731","Present"
-"4,4-Dimethoxy-1-(2-vinylphenyl)-2,5-cyclohexadien-1-ol","","","","","","","","","","","","","","","","","","","","4,4-Dimethoxy-1-(2-vinylphenyl)-2,5-cyclohexadien-1-ol","","COC1(C=CC(C=C1)(C2=CC=CC=C2C=C)O)OC","NLINCCBFKNTJKQ-UHFFFAOYSA-N","379541",NA,"PDBC22077","664217","Present"
-"4,4-Dimethoxy-2,5-cyclohexadien-1-one","","","","","","","","","","","","","","","","","","","","4,4'-Dimethoxy-2,5-dienone","","COC1(C=CC(=O)C=C1)OC","AVZOEZMUNZGWLN-UHFFFAOYSA-N","394648",NA,"PDBC22078","698250","Present"
-"4,4-Dimethoxy-N,N,3-trimethylbutanamide","","","","","","","","","","","","","","","","","","","","4,4-Dimethoxy-N,N,3-trimethylbutanamide","","CC(CC(=O)N(C)C)C(OC)OC","NWWIWLQBFGQPLT-UHFFFAOYSA-N","359183",NA,"PDBC22079","619865","Present"
-"4,4-Dimethyl-1,2-di(4-morpholinyl)-1-phenyl-3-pentanone","","","","","","","","","","","","","","","","","","","","4,4-Dimethyl-1,2-di(4-morpholinyl)-1-phenyl-3-pentanone","","CC(C)(C)C(=O)C(C(C1=CC=CC=C1)N2CCOCC2)N3CCOCC3","QZUIQRACPQHJJM-UHFFFAOYSA-N","234166",NA,"PDBC22080","33571","Present"
-"4,4-Dimethyl-2-(phenylthio)tetrahydro-2H-pyran","","","","","","","","","","","","","","","","","","","","4,4-Dimethyl-2-(phenylthio)tetrahydro-2H-pyran","","CC1(CCOC(C1)SC2=CC=CC=C2)C","LGFSMYAQZDDIGK-UHFFFAOYSA-N","361777",NA,"PDBC22081","625044","Present"
-"4,4-Dimethyl-3-phenyl-1(4H)-cinnolinol","","","","","","","","","","","","","","","","","","","","4,4-Dimethyl-3-phenyl-1(4H)-cinnolinol","","CC1(C2=CC=CC=C2N(N=C1C3=CC=CC=C3)O)C","FUJZNKNLKXBQJF-UHFFFAOYSA-N","371281",NA,"PDBC22082","645345","Present"
-"4,4-Dimethylspiro[1,3,2-oxazaphospholidin-2-ium-2,2'-3H-1,3,2-benzoxazaphosphol-2-ium]-5-one","","","","","","","","","","","","","","","","","","","","4,4-Dimethylspiro[1,3,2-oxazaphospholidin-2-ium-2,2'-3H-1,3,2-benzoxazaphosphol-2-ium]-5-one","","CC1(C(=O)O[P+]2(N1)NC3=CC=CC=C3O2)C","KOYNCWVEDXKLAG-UHFFFAOYSA-N","6330525",NA,"PDBC22083","351866","Present"
-"4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan","","","","","","","","","","","","","","","","","","","","C6H6N4O5","","C1CC2=NON=C2C(C1)([N+](=O)[O-])[N+](=O)[O-]","CMWAVDQYGJPEML-UHFFFAOYSA-N","379408",NA,"PDBC22084","663950","Present"
-"4,4-Diphenylcyclohexanone","","","","","","","","","","","","","","","","","","","","4,4-Diphenylcyclohexanone","","C1CC(CCC1=O)(C2=CC=CC=C2)C3=CC=CC=C3","QJPHZZUBQAASNR-UHFFFAOYSA-N","138281",NA,"PDBC22085","117554","Present"
-"4,4-Piperazinediyl)bisbenzenecarboximidamide, dihydrochloride","","","","","","","","","","","","","","","","","","","","4,4'-(1,4-piperazinediyl)bisbenzenecarboximidamide, dihy...","","C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl","PGIPCFMMASQELS-UHFFFAOYSA-N","24202755",NA,"PDBC22086","725901","Present"
-"4,5'-Dimethylangelicin","","","","","","","","","","","","","","","","","","","","NIOSH/LV1051005","","CC1=CC(=O)OC2=C1C=CC3=C2C=C(O3)C","PFFGIQUVLUEURV-UHFFFAOYSA-N","61322",NA,"PDBC22087","627260","Present"
-"4,5,11,13-Tetramethyl-7-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-8lambda6-thia-3,4,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene 8,8-dioxide","","","","","","","","","","","","","","","","","","","","4,5,11,13-Tetramethyl-7-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-8lambda6-thia-3,4,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene 8,8-dioxide","","CC1=CC(=NC2=C1C3=NN(C(=C3N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)C)C)C","RAGFHWVKKAJBLT-UHFFFAOYSA-N","401101",NA,"PDBC22088","713924","Present"
-"4,5,12,13-Tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene","","","","","","","","","","","","","","","","","","","","4,5,12,13-Tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene","","COC1=C(C=C2C3C=NC(CC2=C1)C4=CC(=C(C=C34)OC)OC)OC","KLXPNUUNKBVTII-UHFFFAOYSA-N","392698",NA,"PDBC22089","693416","Present"
-"4,5,12,13-Tetramethoxy-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene","","","","","","","","","","","","","","","","","","","","4,5,12,13-Tetramethoxy-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene","","COC1=C(C=C2C3CC4=CC(=C(C=C4C(O3)CC2=C1)OC)OC)OC","BSTRZFRADQWXKM-UHFFFAOYSA-N","392694",NA,"PDBC22090","693412","Present"
-"4,5,12,13-Tetramethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene;4,5,13,14-tetramethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene","","","","","","","","","","","","","","","","","","","","4,5,12,13-Tetramethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene;4,5,13,14-tetramethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene","","CC1=C(C2=C(C=C1)N3CC4=C(C=C(C(=C4)C)C)N(C2)C3)C.CC1=CC2=C(C=C1C)N3CC4=C(C=C(C(=C4)C)C)N(C2)C3","IBBKJGMGJRNHSX-UHFFFAOYSA-N","361435",NA,"PDBC22091","624459","Present"
-"4,5,14-Trimethoxy-9-methyl-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol;iodide","","","","","","","","","","","","","","","","","","","","4,5,14-Trimethoxy-9-methyl-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol;iodide","","C[N+]12CCC3=CC(C(C(C31)C4=CC(=C(C=C4C2)OC)OC)O)OC.[I-]","CFYMWLHKUGRYRU-UHFFFAOYSA-M","397685",NA,"PDBC22092","706046","Present"
-"4,5,15,16-Tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene;hydrochloride","","","","","","","","","","","","","","","","","","","","4,5,15,16-Tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene;hydrochloride","","COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3.Cl","QBWDCHPPUMLOCG-UHFFFAOYSA-N","374457",NA,"PDBC22093","652168","Present"
-"4,5,5',6'-Tetrabenzoylspiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-3'-one","","","","","","","","","","","","","","","","","","","","4,5,5',6'-Tetrabenzoylspiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-3'-one","","C1=CC=C(C=C1)C(=O)C2=C(SC3=C(C24SC(=C(S4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)SSC3=O)C(=O)C7=CC=CC=C7","XAFGTYMJYPOWCY-UHFFFAOYSA-N","399528",NA,"PDBC22094","710392","Present"
-"4,5,5-Trichloro-5H-1,2,3-dithiazole","","","","","","","","","","","","","","","","","","","","4,5,5-Trichloro-5H-1,2,3-dithiazole","","C1(=NSSC1(Cl)Cl)Cl","ZDDROOBZDZTOJV-UHFFFAOYSA-N","389862",NA,"PDBC22095","686492","Present"
-"4,5,6,7-Tetrachloro-1,3-dihydrobenzimidazole-2-thione","","","","","","","","","","","","","","","","","","","","4,5,6,7-Tetrachloro-1,3-dihydrobenzimidazole-2-thione","","C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)NC(=S)N2","DUYKSYCMKGVVTR-UHFFFAOYSA-N","5041204",NA,"PDBC22096","142480","Present"
-"4,5,6,7-Tetrachloro-1-tetrahydrofuran-2-yl-benzotriazole","","","","","","","","","","","","","","","","","","","","4,5,6,7-Tetrachloro-1-tetrahydrofuran-2-yl-benzotriazole","","C1CC(OC1)N2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)N=N2","SJJIYQLKZGNSEF-UHFFFAOYSA-N","388089",NA,"PDBC22097","682552","Present"
-"4,5,6,7-Tetrachloro-2-tetrahydrofuran-2-yl-benzotriazole","","","","","","","","","","","","","","","","","","","","4,5,6,7-Tetrachloro-2-tetrahydrofuran-2-yl-benzotriazole","","C1CC(OC1)N2N=C3C(=C(C(=C(C3=N2)Cl)Cl)Cl)Cl","CLWJOTIWNHKRSQ-UHFFFAOYSA-N","388090",NA,"PDBC22098","682553","Present"
-"4,5,6,7-Tetrachloro-3,3-bis(6-hydroxy[1,1'-biphenyl]-3-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","4,5,6,7-tetrachloro-3,3-bis(6-hydroxybiphenyl-3-yl)isobe...","","C1=CC=C(C=C1)C2=C(C=CC(=C2)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O","MFSVBYYFRYCISY-UHFFFAOYSA-N","276306",NA,"PDBC22099","123994","Present"
-"4,5,6,7-Tetrahydro-1,8,13-triaza-9H-benzo[fg]naphthacene-9-one","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 4,5,6,7-tet...","","C1CCC2=NC3=C4C(=C2C1)C=CN=C4C5=C(C3=O)C=CC=N5","RZMXHENUFUPOLC-UHFFFAOYSA-N","396466",NA,"PDBC22100","702616","Present"
-"4,5,6-Trichloro-2-ethyl-pyrimidine","","","","","","","","","","","","","","","","","","","","4,5,6-Trichloro-2-ethylpyrimidine","","CCC1=NC(=C(C(=N1)Cl)Cl)Cl","CNDMVKVJWXVNBW-UHFFFAOYSA-N","249454",NA,"PDBC22101","67798","Present"
-"4,5,6-Trichloro-2-methylpyrimidine","","","","","","","","","","","","","","","","","","","","2-methyl-4,5,6-trichloropyrimidine","","CC1=NC(=C(C(=N1)Cl)Cl)Cl","MLXZCYRURHJFLL-UHFFFAOYSA-N","231054",NA,"PDBC22102","26540","Present"
-"4,5,6-Trichloro-2-phenylpyrimidine","","","","","","","","","","","","","","","","","","","","4,5,6-Trichloro-2-phenylpyrimidine","","C1=CC=C(C=C1)C2=NC(=C(C(=N2)Cl)Cl)Cl","UZVRXBTXEACDQE-UHFFFAOYSA-N","249015",NA,"PDBC22103","66917","Present"
-"4,5,6-Trichloro-2-propan-2-ylpyrimidine","","","","","","","","","","","","","","","","","","","","4,5,6-Trichloro-2-propan-2-ylpyrimidine","","CC(C)C1=NC(=C(C(=N1)Cl)Cl)Cl","ATGYGVVUZSGNKF-UHFFFAOYSA-N","249014",NA,"PDBC22104","66916","Present"
-"4,5,6-Trichloro-2-propyl-pyrimidine","","","","","","","","","","","","","","","","","","","","4,5,6-Trichloro-2-propylpyrimidine","","CCCC1=NC(=C(C(=N1)Cl)Cl)Cl","JMVHNAXQPUGXQX-UHFFFAOYSA-N","249008",NA,"PDBC22105","66903","Present"
-"4,5,6-Trichloropyrimidine","","","","","","","","","","","","","","","","","","","","AK-25511","","C1=NC(=C(C(=N1)Cl)Cl)Cl","AUWPHGWEYHEAIG-UHFFFAOYSA-N","249007",NA,"PDBC22106","66902","Present"
-"4,5,6-Trifluoro-benzothiazol-2-yl-carbamic acid ethyl ester","","","","","","","","","","","","","","","","","","","","4,5,6-Trifluoro-benzothiazol-2-yl-carbamic acid ethyl ester","","CCOC(=O)NC1=NC2=C(S1)C=C(C(=C2F)F)F","IKCJTHODSYOQDO-UHFFFAOYSA-N","2349596",NA,"PDBC22107","764930","Present"
-"4,5,7-Trihydroxycoumarin","","","","","","","","","","","","","","","","","","","","YQB3NZR7WI","","C1=C(C=C2C(=C1O)C(=CC(=O)O2)O)O","HPNWGYCBCHLEMW-UHFFFAOYSA-N","54676761",NA,"PDBC22108","115528","Present"
-"4,5,8-Triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaene-3,16-dione","","","","","","","","","","","","","","","","","","","","4,5,8-Triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaene-3,16-dione","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(N3)C=NNC4=O","SCKXJTIJYWMMEQ-UHFFFAOYSA-N","135426812",NA,"PDBC22109","719504","Present"
-"4,5,8-Tris(tert-butylthio)pyridazino[4,5-d]pyridazin-1-ol","","","","","","","","","","","","","","","","","","","","4,5,8-Tris(tert-butylthio)pyridazino[4,5-d]pyridazin-1-ol","","CC(C)(C)SC1=NN=C(C2=C1C(=O)NN=C2SC(C)(C)C)SC(C)(C)C","DVZVUHCEXHTZEB-UHFFFAOYSA-N","361890",NA,"PDBC22110","625235","Present"
-"4,5-Bis((4-methylphenyl)imino)-1,3-dithiolan-2-one dimethylhydrazone","","","","","","","","","","","","","","","","","","","","N-[[4,5-Bis[(4-methylphenyl)imino]-1,3-dithiolan-2-ylidene]amino]-N-methylmethanamine","","CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)SC(=NN(C)C)S2","XXBWNVLVZRXTRA-UHFFFAOYSA-N","383301",NA,"PDBC22111","671414","Present"
-"4,5-Bis(1,3-benzodioxol-5-yl)-3-nitro-2-furaldehyde phenylhydrazone","","","","","","","","","","","","","","","","","","","","N-[(E)-[4,5-Bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methyleneamino]aniline","","C1OC2=C(O1)C=C(C=C2)C3=C(OC(=C3[N+](=O)[O-])C=NNC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6","KGUAPQNIHXQLAW-RPPGKUMJSA-N","9555889",NA,"PDBC22112","647257","Present"
-"4,5-Bis(1-ethylbutyl)-1,2-benzenediol","","","","","","","","","","","","","","","","","","","","4,5-Bis(1-ethylbutyl)-1,2-benzenediol","","CCCC(CC)C1=CC(=C(C=C1C(CC)CCC)O)O","XKXVDDMUFQIEFJ-UHFFFAOYSA-N","379497",NA,"PDBC22113","664158","Present"
-"4,5-Bis(2-methoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","4,5-Bis(2-methoxyphenyl)-1H-imidazole","","COC1=CC=CC=C1C2=C(N=CN2)C3=CC=CC=C3OC","XOMXFUNHBRZWQE-UHFFFAOYSA-N","395746",NA,"PDBC22114","700546","Present"
-"4,5-Bis(3,4-dimethoxyphenyl)isoxazole","","","","","","","","","","","","","","","","","","","","4,5-Bis(3,4-dimethoxyphenyl)isoxazole","","COC1=C(C=C(C=C1)C2=C(ON=C2)C3=CC(=C(C=C3)OC)OC)OC","MXIZUVYLEZMWCG-UHFFFAOYSA-N","373704",NA,"PDBC22115","650596","Present"
-"4,5-Bis(4-methoxyphenyl)-1,5-dihydroimidazol-2-one","","","","","","","","","","","","","","","","","","","","4,5-bis(4-Methoxyphenyl)-1H-imidazol-2(5H)-one","","COC1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=C(C=C3)OC","FYTWLGPRDSDFFN-UHFFFAOYSA-N","231112",NA,"PDBC22116","26692","Present"
-"4,5-Bis(4-methoxyphenyl)-3,5-dioxo-N-(3-(trifluoromethyl)phenyl)pentanamide","","","","","","","","","","","","","","","","","","","","4,5-Bis(4-methoxyphenyl)-3,5-dioxo-N-(3-(trifluoromethyl)phenyl)pentanamide","","COC1=CC=C(C=C1)C(C(=O)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)OC","JTJRVIINDKVHTA-UHFFFAOYSA-N","361451",NA,"PDBC22117","624473","Present"
-"4,5-Bis(acetyloxy)-2-((acetyloxy)methyl)-9-anthryl acetate","","","","","","","","","","","","","","","","","","","","4,5-Bis(acetyloxy)-2-((acetyloxy)methyl)-9-anthryl acetate","","CC(=O)OCC1=CC2=C(C=C3C(=C2OC(=O)C)C=CC=C3OC(=O)C)C(=C1)OC(=O)C","LPFAXMMDGZKAHD-UHFFFAOYSA-N","377289",NA,"PDBC22118","658577","Present"
-"4,5-Bis(benzenesulfonyl)spiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclohexane]","","","","","","","","","","","","","","","","","","","","4,5-bis(benzenesulfonyl)spiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclohexane]","","C1CCC2(CC1)CC3(C(CN2O3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","GZFLNJKEOVNPRY-UHFFFAOYSA-N","361147",NA,"PDBC22119","623979","Present"
-"4,5-Bis(benzoylthio)-1,3-dithiole-2-thione","","","","","","","","","","","","","","","","","","","","PZ27129MNI","","C1=CC=C(C=C1)C(=O)SC2=C(SC(=S)S2)SC(=O)C3=CC=CC=C3","YQZPSSPUVUGQQS-UHFFFAOYSA-N","364673",NA,"PDBC22120","631302","Present"
-"4,5-Bis(bromomethyl)-2-methylpyridin-3-ol","","","","","","","","","","","","","","","","","","","","JHKDTHSEZFJAMJ-UHFFFAOYSA-N","","CC1=NC=C(C(=C1O)CBr)CBr","JHKDTHSEZFJAMJ-UHFFFAOYSA-N","241453",NA,"PDBC22121","48844","Present"
-"4,5-Bis(chloromethyl)-1,3-diphenyl-1H-pyrazole","","","","","","","","","","","","","","","","","","","","4,5-Bis(chloromethyl)-1,3-diphenyl-1H-pyrazole","","C1=CC=C(C=C1)C2=NN(C(=C2CCl)CCl)C3=CC=CC=C3","QKAAHRLZQRYVCE-UHFFFAOYSA-N","383140",NA,"PDBC22122","671181","Present"
-"4,5-Bis(chloromethyl)-2-methylpyridin-3-ol","","","","","","","","","","","","","","","","","","","","4',5'-Dichloropyridoxine","","CC1=NC=C(C(=C1O)CCl)CCl","PGRGBTRGXLKHEC-UHFFFAOYSA-N","241454",NA,"PDBC22123","48845","Present"
-"4,5-Bis(iodomethyl)-2-methylpyridin-3-ol","","","","","","","","","","","","","","","","","","","","4',5'-Diiodopyridoxine","","CC1=NC=C(C(=C1O)CI)CI","NTSNBWDNFCMPNE-UHFFFAOYSA-N","241455",NA,"PDBC22124","48846","Present"
-"4,5-Bis(methylthio)-1,3-dithiole-2-thione","","","","","","","","","","","","","","","","","","","","Maybridge4_003412","","CSC1=C(SC(=S)S1)SC","HOFVXSUZSDYZSA-UHFFFAOYSA-N","362959",NA,"PDBC22125","627450","Present"
-"4,5-Bis(phenylimino)-1,3-dithiolan-2-one (4-(dimethylamino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","4,5-Bis(phenylimino)-1,3-dithiolan-2-one (4-(dimethylamino)phenyl)hydrazone","","CN(C)C1=CC=C(C=C1)NN=C2SC(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2","FJWOBPMTNRHOOZ-UHFFFAOYSA-N","383302",NA,"PDBC22126","671415","Present"
-"4,5-Bis(phenylimino)-1,3-dithiolan-2-one phenylhydrazone","","","","","","","","","","","","","","","","","","","","AN-689/41741243","","C1=CC=C(C=C1)NN=C2SC(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2","UCCZGUNZUWTDPB-UHFFFAOYSA-N","383300",NA,"PDBC22127","671413","Present"
-"4,5-Bis(phenylsulfanyl)-2,3,4,5-tetrahydro-1-benzothiepine","","","","","","","","","","","","","","","","","","","","4,5-Bis(phenylsulfanyl)-2,3,4,5-tetrahydro-1-benzothiepine","","C1CSC2=CC=CC=C2C(C1SC3=CC=CC=C3)SC4=CC=CC=C4","SCFOBPDCHDKGSU-UHFFFAOYSA-N","360777",NA,"PDBC22128","623132","Present"
-"4,5-Dibenzylbenzene-1,2-diol","","","","","","","","","","","","","","","","","","","","C20H18O2","","C1=CC=C(C=C1)CC2=CC(=C(C=C2CC3=CC=CC=C3)O)O","SQDMOCPHIXUCCE-UHFFFAOYSA-N","379493",NA,"PDBC22129","664154","Present"
-"4,5-Dibromo-3,5-di-tert-butyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","4,5-Dibromo-3,5-di-tert-butyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide","","CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)Br)Br","CTMAJOBYSIEDPR-UHFFFAOYSA-N","380877",NA,"PDBC22130","666661","Present"
-"4,5-Dibromopyridazin-3(2h)-one","","","","","","","","","","","","","","","","","","","","KSC496I7L","","C1=NNC(=O)C(=C1Br)Br","AGLQURQNVJVJNB-UHFFFAOYSA-N","236181",NA,"PDBC22131","38292","Present"
-"4,5-Dichloro-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium","","","","","","","","","","","","","","","","","","","","4,5-dichloro-1,3-bis(naphthalen-2-ylmethyl)imidazolium b...","","C1=CC=C2C=C(C=CC2=C1)CN3C=[N+](C(=C3Cl)Cl)CC4=CC5=CC=CC=C5C=C4","NFOVASOBSLDJCL-UHFFFAOYSA-N","71467516",NA,"PDBC22132","788908","Present"
-"4,5-Dichloro-2-(2-(4-pyridinyl)ethyl)-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","4,5-Dichloro-2-(2-(4-pyridinyl)ethyl)-3(2H)-pyridazinone","","C1=CN=CC=C1CCN2C(=O)C(=C(C=N2)Cl)Cl","LHUXZNNICKIKHQ-UHFFFAOYSA-N","365840",NA,"PDBC22133","633915","Present"
-"4,5-Dichloro-2-(2-chloroethyl)pyridazin-3-one","","","","","","","","","","","","","","","","","","","","4,5-Dichloro-2-(2-chloroethyl)pyridazin-3-one","","C1=NN(C(=O)C(=C1Cl)Cl)CCCl","NMYDFCMVJIHOLA-UHFFFAOYSA-N","247944",NA,"PDBC22134","63599","Present"
-"4,5-Dichloro-2-(3-oxobutyl)-1H-pyridazine-3,6-dione","","","","","","","","","","","","","","","","","","","","4,5-Dichloro-2-(3-oxobutyl)-1H-pyridazine-3,6-dione","","CC(=O)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl","VQTDRUGUWKNZQA-UHFFFAOYSA-N","365850",NA,"PDBC22135","633924","Present"
-"4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone","","CC(=O)CCN1C(=O)C(=C(C=N1)Cl)Cl","LLXUEGJIPKJKFS-UHFFFAOYSA-N","365844",NA,"PDBC22136","633918","Present"
-"4,5-Dichloro-2-phenylpyridazin-3-one","","","","","","","","","","","","","","","","","","","","WLN: T6NNVJ BR& DG EG///3(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-","","C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl","VKWCOHVAHQOJGU-UHFFFAOYSA-N","72813",NA,"PDBC22137","224369///642642","Present"
-"4,5-Dichloro-3-hydroxy-6-((6-methoxy-3-methyl-1-benzofuran-2-yl)oxy)phthalonitrile","","","","","","","","","","","","","","","","","","","","(6-((6-methoxy-3-methylbenzfuranyl)oxy)-4,5-dichloro-3-h...","","CC1=C(OC2=C1C=CC(=C2)OC)OC3=C(C(=C(C(=C3C#N)C#N)O)Cl)Cl","TVYGRUMPAWCBJI-UHFFFAOYSA-N","382577",NA,"PDBC22138","670188","Present"
-"4,5-Dichloro-3H-1,2-dithiol-3-one","","","","","","","","","","","","","","","","","","","","1,2-dithiol-3-one, dichloro-","","C1(=C(SSC1=O)Cl)Cl","QGSRKGWCQSATCL-UHFFFAOYSA-N","14503",NA,"PDBC22139","135976","Present"
-"4,5-Dichloro-6-oxo-1(6H)-pyridazinecarboxamide","","","","","","","","","","","","","","","","","","","","11K-911","","C1=NN(C(=O)C(=C1Cl)Cl)C(=O)N","KFEZNIZILYRSIM-UHFFFAOYSA-N","362211",NA,"PDBC22140","625813","Present"
-"4,5-Dichloroisothiazol-3-yl piperidyl ketone","","","","","","","","","","","","","","","","","","","","4,5-Dichloroisothiazol-3-yl piperidyl ketone","","C1CCN(CC1)C(=O)C2=NSC(=C2Cl)Cl","JPSIKJSWDVFGAW-UHFFFAOYSA-N","379922",NA,"PDBC22141","665114","Present"
-"4,5-Dihydro-1H-1-benzazepine-2,6,9(3H)-trione","","","","","","","","","","","","","","","","","","","","4,5-Dihydro-1H-1-benzazepine-2,6,9(3H)-trione","","C1CC2=C(C(=O)C=CC2=O)NC(=O)C1","IKDCGLCVEMQVFY-UHFFFAOYSA-N","372580",NA,"PDBC22142","647940","Present"
-"4,5-Dihydro-1H-[1]benzothiepino[5,4-c]pyrazole","","","","","","","","","","","","","","","","","","","","4,5-Dihydro-1H-[1]benzothiepino[5,4-c]pyrazole","","C1CSC2=CC=CC=C2C3=C1C=NN3","PLQBHICEZPBNDD-UHFFFAOYSA-N","360367",NA,"PDBC22143","622428","Present"
-"4,5-Dihydro-1H-[1]benzoxepino[5,4-c]pyrazole","","","","","","","","","","","","","","","","","","","","4,5-Dihydro-1H-[1]benzoxepino[5,4-c]pyrazole","","C1COC2=CC=CC=C2C3=C1C=NN3","QECJKEMWJRWQBL-UHFFFAOYSA-N","360365",NA,"PDBC22144","622426","Present"
-"4,5-Dihydro-1H-benzo(g)indazole-7,8-diol","","","","","","","","","","","","","","","","","","","","4,5-DIHYDRO-1H-BENZ[G]INDAZOLE-7,8-DIOL","","C1CC2=C(C3=CC(=C(C=C31)O)O)NN=C2","KIEMHVFGGXELEV-UHFFFAOYSA-N","317787",NA,"PDBC22145","251209","Present"
-"4,5-Dihydro-1H-imidazol-2-yl(10H-indeno[2,3-b]quinoxalin-11-yl)diazene;hydrobromide","","","","","","","","","","","","","","","","","","","","4,5-Dihydro-1H-imidazol-2-yl(10H-indeno[2,3-b]quinoxalin-11-yl)diazene;hydrobromide","","C1CN=C(N1)N=NC2=C3C(=NC4=CC=CC=C4N3)C5=CC=CC=C52.Br","HGFCZLBCIVCOIH-UHFFFAOYSA-N","438695",NA,"PDBC22146","658835","Present"
-"4,5-Dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4,5-Dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","C1CC2=C3C(=C(OC3=CC=C2)C(=O)O)C1","VRXQTOMNOCWCLP-UHFFFAOYSA-N","361661",NA,"PDBC22147","624879","Present"
-"4,5-Dihydro-3H-naphtho[1,8-bc]furan-6-ol","","","","","","","","","","","","","","","","","","","","4,5-Dihydro-3H-naphtho[1,8-bc]furan-6-ol","","C1CC2=COC3=C2C(=C(C=C3)O)C1","VBZSOGWQKAZHKH-UHFFFAOYSA-N","361594",NA,"PDBC22148","624775","Present"
-"4,5-Dimethoxy-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene","","","","","","","","","","","","","","","","","","","","4,5-Dimethoxy-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene","","COC1=C(C=C2C(=C1)C3=C(C=N2)N4C=CSC4=N3)OC","XSLXTAYOTABXIR-UHFFFAOYSA-N","406818",NA,"PDBC22149","725109","Present"
-"4,5-Dimethoxy-2-(2-phenoxyacetylamino)benzamide","","","","","","","","","","","","","","","","","","","","4,5-dimethoxy-2-(2-phenoxyacetamido)benzamide","","COC1=C(C=C(C(=C1)C(=O)N)NC(=O)COC2=CC=CC=C2)OC","BOZYCRUQBOUCEO-UHFFFAOYSA-N","122188011",NA,"PDBC22150","773280","Present"
-"4,5-Dimethoxy-6-(methoxymethyl)-2-phenylsulfanyloxan-3-ol","","","","","","","","","","","","","","","","","","","","NSC705152///NSC705153","","COCC1C(C(C(C(O1)SC2=CC=CC=C2)O)OC)OC","NCPMWJTYPRHYFB-UHFFFAOYSA-N","397410",NA,"PDBC22151","705152///705153","Present"
-"4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one","","","","","","","","","","","","","","","","","","","","4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one","","COC1=C(C2=C(CC2=O)C=C1)OC","CHFTXHFESMZGGM-UHFFFAOYSA-N","375500",NA,"PDBC22152","655282","Present"
-"4,5-Dimethyl-1,3-dithiolan-2-one","","","","","","","","","","","","","","","","","","","","4,5-Dimethyl-1,3-dithiolan-2-one","","CC1C(SC(=O)S1)C","CQUCRFYNCROOIS-UHFFFAOYSA-N","375372",NA,"PDBC22153","655039","Present"
-"4,5-Dimethyl-1,8,12-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one","","","","","","","","","","","","","","","","","","","","2,3-dimethyl-7-azaisoindole[2,1-a]quinoxalin-6(5H)-one","","CC1=CC2=C(C=C1C)N3C=C4C=CC=NC4=C3C(=O)N2","WDHNDTGQONXEOU-UHFFFAOYSA-N","155813018",NA,"PDBC22154","754583","Present"
-"4,5-Dimethyl-11H-pyrido[4,3-a]carbazole","","","","","","","","","","","","","","","","","","","","4,5-Dimethyl-11H-pyrido[4,3-a]carbazole","","CC1=CC2=C3C=CC=CC3=NC2=C4C1=C(NC=C4)C","NWFUMZFUBXELKR-UHFFFAOYSA-N","382590",NA,"PDBC22155","670230","Present"
-"4,5-Dimethyl-2-(2-nitroanilino)thiophene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4,5-Dimethyl-2-(2-nitroanilino)thiophene-3-carbonitrile","","CC1=C(SC(=C1C#N)NC2=CC=CC=C2[N+](=O)[O-])C","LONXKUMLSKYUAV-UHFFFAOYSA-N","395462",NA,"PDBC22156","700025","Present"
-"4,5-Dimethyl-3-(phenylsulfonyl)-2-thienylamine","","","","","","","","","","","","","","","","","","","","4,5-Dimethyl-3-(phenylsulfonyl)-2-thienylamine","","CC1=C(SC(=C1S(=O)(=O)C2=CC=CC=C2)N)C","IRLRZVMPGRKKAY-UHFFFAOYSA-N","393681",NA,"PDBC22157","696057","Present"
-"4,5-Dimethyl-4,5-dihydrocinnolino[5,4,3-cde]cinnoline","","","","","","","","","","","","","","","","","","","","4,5-Dimethyl-4,5-dihydrocinnolino[5,4,3-cde]cinnoline","","CN1C2=CC=CC3=C2C4=C(C=CC=C4N1C)N=N3","UDHRHFSYUHQIHH-UHFFFAOYSA-N","371481",NA,"PDBC22158","645757","Present"
-"4,5-Dimethyl-8,9,10,11-tetrahydro-7H-pyrido[4,3-a]carbazole","","","","","","","","","","","","","","","","","","","","4,5-Dimethyl-7,8,9,10-tetrahydro-11H-pyrido[4,3-a]carbazole","","CC1=CC2=C3CCCCC3=NC2=C4C1=C(NC=C4)C","LTSDATGTBPQMNS-UHFFFAOYSA-N","382591",NA,"PDBC22159","670231","Present"
-"4,5-Dinonyl-1,2-benzenediol","","","","","","","","","","","","","","","","","","","","4,5-Dinonyl-1,2-benzenediol","","CCCCCCCCCC1=CC(=C(C=C1CCCCCCCCC)O)O","FFJABUWUTYNPHD-UHFFFAOYSA-N","379495",NA,"PDBC22160","664156","Present"
-"4,5-Imidazolidinedione, 1-(4-methoxyphenyl)-3-(2-nitrophenyl)-2-thioxo-","","","","","","","","","","","","","","","","","","","","4,5-Imidazolidinedione, 1-(4-methoxyphenyl)-3-(2-nitrophenyl)-2-thioxo-","","COC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=CC=C3[N+](=O)[O-]","IYZWVLOGAJJXIH-UHFFFAOYSA-N","383273",NA,"PDBC22161","671387","Present"
-"4,5-Imidazolidinedione, 1-(4-methoxyphenyl)-3-[4-[(Z)-phenylazo]phenyl]-2-thioxo-","","","","","","","","","","","","","","","","","","","","4,5-Imidazolidinedione, 1-(4-methoxyphenyl)-3-[4-[(Z)-phenylazo]phenyl]-2-thioxo-","","COC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=C(C=C3)N=NC4=CC=CC=C4","NCYCSJLAPNJSHF-UHFFFAOYSA-N","383272",NA,"PDBC22162","671386","Present"
-"4,5-Imidazolidinedione, 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-","","","","","","","","","","","","","","","","","","","","4,5-Imidazolidinedione, 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-","","C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=CC(=C3)C(F)(F)F","VQZKXOUCFBHILV-UHFFFAOYSA-N","383274",NA,"PDBC22163","671388","Present"
-"4,5H)-Pyrimidinedione, 5-[3-[4-(diethylamino)phenyl]-2-propenylidene]-2,3-dihydro-2-thioxo-","","","","","","","","","","","","","","","","","","","","4,6(1H,5H)-Pyrimidinedione, 5-[3-[4-(diethylamino)phenyl...","","CCN(CC)C1=CC=C(C=C1)C=CC=C2C(=O)NC(=S)NC2=O","PQAJYKROAHMHFM-AATRIKPKSA-N","6376062",NA,"PDBC22164","684567","Present"
-"4,5a-Dimethyl-1H,3H,5aH-2,5,6-trioxacyclopenta[c]pentalen-3-one","","","","","","","","","","","","","","","","","","","","6,8-Dimethyl-3,7,9-trioxatricyclo[6.3.0.01,5]undeca-5,10-dien-4-one","","CC1=C2C(=O)OCC23C=COC3(O1)C","QQTXGOCQZKBVFH-UHFFFAOYSA-N","396538",NA,"PDBC22165","703008","Present"
-"4,6'-Dimethyl-2,2'-spirobiindan-1,1'-dion","","","","","","","","","","","","","","","","","","","","4',6-Dimethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=CC2=C(CC3(C2=O)CC4=C(C=CC=C4C3=O)C)C=C1","KEMIKYAGTJQKPA-UHFFFAOYSA-N","385726",NA,"PDBC22166","677073","Present"
-"4,6,12-Tetradecatriene-8,10-diyne-1,3-diol","","","","","","","","","","","","","","","","","","","","4,6,12-Tetradecatriene-8,10-diyne-1,3-diol","","CC=CC#CC#CC=CC=CC(CCO)O","XNRITUCAPGELHK-MMOYHAHMSA-N","5467488",NA,"PDBC22167","653381","Present"
-"4,6,13-Tris(furan-2-yl)-10,11-dimethyl-8-oxo-3,5,7,12-tetrazatricyclo[7.4.0.02,7]trideca-2,10-diene-1,9-dicarbonitrile","","","","","","","","","","","","","","","","","","","","4,6,13-Tris(furan-2-yl)-10,11-dimethyl-8-oxo-3,5,7,12-tetrazatricyclo[7.4.0.02,7]trideca-2,10-diene-1,9-dicarbonitrile","","CC1=C(NC(C2(C1(C(=O)N3C2=NC(NC3C4=CC=CO4)C5=CC=CO5)C#N)C#N)C6=CC=CO6)C","QHDGWNNBEVEXGM-UHFFFAOYSA-N","394334",NA,"PDBC22168","697703","Present"
-"4,6,6-Trimethyl-4-[(E)-4-phenylsulfanylbut-1-enyl]norpinan-2-one","","","","","","","","","","","","","","","","","","","","4,6,6-Trimethyl-4-[(E)-4-phenylsulfanylbut-1-enyl]norpinan-2-one","","CC1(C2CC1C(CC2=O)(C)C=CCCSC3=CC=CC=C3)C","HADBQWULFRJYEL-YRNVUSSQSA-N","5469503",NA,"PDBC22169","689222","Present"
-"4,6,7-Tetrakis(p-tolyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarb oxanhydride 7-oxide","","","","","","","","","","","","","","","","","","","","4,5,6,7-Tetrakis(p-tolyl)bicyclo[2.2.1]hept-5-ene-2,3-di...","","CC1=CC=C(C=C1)C2=C(C3(C4C(C2(S3=O)C5=CC=C(C=C5)C)C(=O)OC4=O)C6=CC=C(C=C6)C)C7=CC=C(C=C7)C","SCOPZTOOPMSUIU-UHFFFAOYSA-N","24205469",NA,"PDBC22170","735843","Present"
-"4,6,7-Tetraphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxanhy dride 7-oxide","","","","","","","","","","","","","","","","","","","","4,5,6,7-Tetraphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarbox...","","C1=CC=C(C=C1)C2=C(C3(C4C(C2(S3=O)C5=CC=CC=C5)C(=O)OC4=O)C6=CC=CC=C6)C7=CC=CC=C7","BRVDWVQDNIYSIQ-UHFFFAOYSA-N","24205360",NA,"PDBC22171","735311","Present"
-"4,6,7-Trichloro-1,2,3-benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","4,6,7-Trichloro-1,2,3-benzodithiazol-1-ium;chloride","","C1=C(C2=NS[S+]=C2C(=C1Cl)Cl)Cl.[Cl-]","GKEBSOJNJNZASR-UHFFFAOYSA-M","359752",NA,"PDBC22172","621196","Present"
-"4,6,7-Trichloro-3H-1,2,3-benzodithiazole 2-oxide","","","","","","","","","","","","","","","","","","","","4,6,7-Trichloro-3H-1,2,3-benzodithiazole 2-oxide","","C1=C(C2=C(C(=C1Cl)Cl)SS(=O)N2)Cl","JKKJZIMNUPVVMA-UHFFFAOYSA-N","367355",NA,"PDBC22173","636992","Present"
-"4,6,8-Trichloro-3-(2-chloroethyl)-2-methylquinoline","","","","","","","","","","","","","","","","","","","","AO-476/14513015","","CC1=C(C(=C2C=C(C=C(C2=N1)Cl)Cl)Cl)CCCl","IHDSKKWYYDVCLX-UHFFFAOYSA-N","384144",NA,"PDBC22174","673431","Present"
-"4,6-Bis(4-bromophenyl)-2H-1,3,5-thiadiazine","","","","","","","","","","","","","","","","","","","","4,6-Bis(4-bromophenyl)-2H-1,3,5-thiadiazine","","C1N=C(N=C(S1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br","DLQHMKCVDXGSBN-UHFFFAOYSA-N","400617",NA,"PDBC22175","712739","Present"
-"4,6-Bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one","","","","","","","","","","","","","","","","","","","","4,6-Bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C(=C(C5=C4NC(=O)N5)[N+](=O)[O-])NC6=C7C=CC=CC7=NC8=CC=CC=C86)[N+](=O)[O-]","QRWUUGVTURCNBF-UHFFFAOYSA-N","11979480",NA,"PDBC22176","710907","Present"
-"4,6-Bis(butylamino)-1,9-didodecylpyrido[2,3-b][1,8]naphthyridine-2,8-dione","","","","","","","","","","","","","","","","","","","","4,6-Bis(butylamino)-1,9-didodecylpyrido[2,3-b][1,8]naphthyridine-2,8-dione","","CCCCCCCCCCCCN1C(=O)C=C(C2=C1N=C3C(=C2)C(=CC(=O)N3CCCCCCCCCCCC)NCCCC)NCCCC","AXUOAWFFOZCXFT-UHFFFAOYSA-N","395744",NA,"PDBC22177","700544","Present"
-"4,6-Bis(dimethylamino)-2H-1,3,5-thiadiazin-2-one","","","","","","","","","","","","","","","","","","","","4,6-Bis(dimethylamino)-2H-1,3,5-thiadiazin-2-one","","CN(C)C1=NC(=O)SC(=N1)N(C)C","MUKOZLPPGQVWSB-UHFFFAOYSA-N","360514",NA,"PDBC22178","622650","Present"
-"4,6-Bis(ethylthio)-1H-pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4,6-Diethylthiopyrazolo[3,4-d]pyrimidine","","CCSC1=NC(=NC2=C1C=NN2)SCC","UGHIWOKEDLUUTN-UHFFFAOYSA-N","405572",NA,"PDBC22179","722940","Present"
-"4,6-Bis(methylsulfanyl)-1-(oxiran-2-ylmethyl)pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4,6-Bis(methylsulfanyl)-1-(oxiran-2-ylmethyl)pyrazolo[3,4-d]pyrimidine","","CSC1=NC(=NC2=C1C=NN2CC3CO3)SC","ZPILZPGMOBJKFM-UHFFFAOYSA-N","359457",NA,"PDBC22180","620322","Present"
-"4,6-Bis(methylsulfanyl)-2-propylpyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4,6-Bis(methylsulfanyl)-2-propyl-2H-pyrazolo[3,4-d]pyrimidine","","CCCN1C=C2C(=N1)N=C(N=C2SC)SC","QINYESKQOFVGOP-UHFFFAOYSA-N","360624",NA,"PDBC22181","622929","Present"
-"4,6-Bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-2-one","","","","","","","","","","","","","","","","","","","","4,6-Bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-2-one","","C1=CC(=C(C=C1C=CC2=CC(=O)OC(=C2)C=CC3=CC(=C(C=C3)O)O)O)O","IEXJNXCOWDQAPR-YRALUDOXSA-N","5470597",NA,"PDBC22182","703320","Present"
-"4,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1H-pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4,6-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2...","","COC1=C(C=CC(=C1)C=CC2=CC(=NC(=O)N2)C=CC3=CC(=C(C=C3)O)OC)O","MIXUOZDHHUAAMB-FCXRPNKRSA-N","135857220",NA,"PDBC22183","763374","Present"
-"4,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one","","","","","","","","","","","","","","","","","","","","4,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one","","COC1=C(C=CC(=C1)C=CC2=CC(=O)OC(=C2)C=CC3=CC(=C(C=C3)O)OC)O","HBQAGUJPXCUUFC-SALQQRKASA-N","5470596",NA,"PDBC22184","703319","Present"
-"4,6-Di(1-pyrrolidinyl)-2H-1,3,5-thiadiazin-2-one","","","","","","","","","","","","","","","","","","","","4,6-Di(1-pyrrolidinyl)-2H-1,3,5-thiadiazin-2-one","","C1CCN(C1)C2=NC(=O)SC(=N2)N3CCCC3","LTPIBDLNSVCDQW-UHFFFAOYSA-N","360550",NA,"PDBC22185","622682","Present"
-"4,6-Di(2-furyl)-2-pyrimidinamine","","","","","","","","","","","","","","","","","","","","4,6-Di(2-furyl)-2-pyrimidinamine","","C1=COC(=C1)C2=CC(=NC(=N2)N)C3=CC=CO3","JBAJMLMKIIDEJX-UHFFFAOYSA-N","376140",NA,"PDBC22186","656633","Present"
-"4,6-Di-tert-butyl-5-hydroxy-1-benzofuran-2(3H)-one","","","","","","","","","","","","","","","","","","","","4,6-Di-tert-butyl-5-hydroxy-1-benzofuran-2(3H)-one","","CC(C)(C)C1=CC2=C(CC(=O)O2)C(=C1O)C(C)(C)C","SEBQEJDTBLAJLO-UHFFFAOYSA-N","382325",NA,"PDBC22187","669794","Present"
-"4,6-Diamino-12-[(4-chlorophenyl)methyl]-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one","","","","","","","","","","","","","","","","","","","","4,6-Diamino-12-[(4-chlorophenyl)methyl]-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one","","C1C2=C(C(=O)NC3=NC(=NC(=C31)N)N)N(C4=CC=CC=C24)CC5=CC=C(C=C5)Cl","IBMDVCKQLRMOIQ-UHFFFAOYSA-N","388274",NA,"PDBC22188","682915","Present"
-"4,6-Diamino-14,17-dimethoxy-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one","","","","","","","","","","","","","","","","","","","","4,6-Diamino-14,17-dimethoxy-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one","","COC1=C2C3=C(C(=O)NC4=NC(=NC(=C4C3)N)N)NC2=C(C=C1)OC","VIEZDNDYFINKRT-UHFFFAOYSA-N","391093",NA,"PDBC22189","689628","Present"
-"4,6-Dibromo-1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","4,6-Dibromo-1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-amine hydrochloride","","CCN(CC)CCN1C2=CC(=C(C(=C2N=C1CC3=CC=C(C=C3)OCC)Br)N)Br.Cl","URYAWJGDZHVCQB-UHFFFAOYSA-N","398700",NA,"PDBC22190","708846","Present"
-"4,6-Dichloro-1-pentofuranosyl-1H-imidazo[4,5-c]pyridine","","","","","","","","","","","","","","","","","","","","2-(4,6-Dichloroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol","","C1=C2C(=C(N=C1Cl)Cl)N=CN2C3C(C(C(O3)CO)O)O","VPKNMXZYYVWGCK-UHFFFAOYSA-N","296449",NA,"PDBC22191","166607","Present"
-"4,6-Dichloro-2,1,3-benzoselenadiazole","","","","","","","","","","","","","","","","","","","","STK523827","","C1=C(C=C(C2=N[Se]N=C21)Cl)Cl","GLOCDVPHEOJWHD-UHFFFAOYSA-N","362894",NA,"PDBC22192","627368","Present"
-"4,6-Dichloro-2,5-dimethylpyrimidine","","","","","","","","","","","","","","","","","","","","4,6-dichloro-2,5-dimethylpyrimidine","","CC1=C(N=C(N=C1Cl)C)Cl","BXVKGWQEEXPBAW-UHFFFAOYSA-N","237013",NA,"PDBC22193","40212","Present"
-"4,6-Dichloro-2-phenylquinazoline","","","","","","","","","","","","","","","","","","","","7931AB","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)Cl","XALHJBONTKQNKI-UHFFFAOYSA-N","362507",NA,"PDBC22194","626529","Present"
-"4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline","","","","","","","","","","","","","","","","","","","","AO-476/14513014","","CC1=C(C(=C2C=C(C=CC2=N1)Cl)Cl)CCCl","UWRNWBVHBOCMTP-UHFFFAOYSA-N","384143",NA,"PDBC22195","673430","Present"
-"4,6-Dichloro-5-(dimethylaminomethylene)cyclohexa-3,6-diene-1,3-dicarbaldehyde","","","","","","","","","","","","","","","","","","","","1(6),3-Cyclohexadiene-1,3-dicarboxyaldehyde, 4,6-dichlor...","","CN(C)C=C1C(=C(CC(=C1Cl)C=O)C=O)Cl","BRIMGKZJPCSTCP-UHFFFAOYSA-N","362814",NA,"PDBC22196","627151","Present"
-"4,6-Dichloro-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidinamine","","","","","","","","","","","","","","","","","","","","4,6-Dichloro-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidinamine","","C1CC2=C(C1)C=C(C=C2)NC3=NC(=CC(=N3)Cl)Cl","CSFRCBOPURASLQ-UHFFFAOYSA-N","389508",NA,"PDBC22197","685794","Present"
-"4,6-Dichloro[1,2,5]thiadiazolo[3,4-c]pyridine","","","","","","","","","","","","","","","","","","","","4,6-Dichloro[1,2,5]thiadiazolo[3,4-c]pyridine","","C1=C(N=C(C2=NSN=C21)Cl)Cl","WAQHEBWTNUNSHC-UHFFFAOYSA-N","319592",NA,"PDBC22198","264045","Present"
-"4,6-Dichloropyrimidine","","","","","","","","","","","","","","","","","","","","4,6-Dichloropyrimidine","","C1=C(N=CN=C1Cl)Cl","XJPZKYIHCLDXST-UHFFFAOYSA-N","70943",NA,"PDBC22199","37530","Present"
-"4,6-Dideoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-purin-6-YL-beta-L-glucopyranosylamine","","","","","","","","","","","","","","","","","","","",".beta.-L-Glucopyranosylamine, 4,6-dideoxy-4-[[[(14-methy...","","CC1C(C(C(C(O1)NC2=NC=NC3=C2NC=N3)O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C","VCEWFFSOGKSWLL-UHFFFAOYSA-N","4366047",NA,"PDBC22200","268251","Present"
-"4,6-Dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-one","","","","","","","","","","","","","","","","","","","","4,6-Dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-one","","C1C2=C(C3=CC=CC=C3NC1=O)NN=C2","QJOSUMCUWHXYNO-UHFFFAOYSA-N","387019",NA,"PDBC22201","680340","Present"
-"4,6-Diiodo-3a,7a-dihydro-2H-thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazole-2,7(3H)-dione","","","","","","","","","","","","","","","","","","","","9,11-Diiodo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione","","C12C(C(=O)C3=C(SC(=C31)I)I)OC(=O)N2","UWDMOILRXVLKCY-UHFFFAOYSA-N","392081",NA,"PDBC22202","691895","Present"
-"4,6-Diisopropylidene-2,2-dimethyl-thieno[3,4-d]imidazole","","","","","","","","","","","","","","","","","","","","4,6-Diisopropylidene-2,2-dimethyl-thieno[3,4-d]imidazole","","CC(=C1C2=NC(N=C2C(=C(C)C)S1)(C)C)C","KXZSRWKODLQGKC-UHFFFAOYSA-N","397776",NA,"PDBC22203","706199","Present"
-"4,6-Dimethyl-1-oxido-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-5,7-dioxo-4,5,6,7-tetrahydro[1,2,5]oxadiazolo[3,4-d]pyrimidine 1-oxide","","CN1C2=NO[N+](=C2C(=O)N(C1=O)C)[O-]","NXKINPJXIQQAAF-UHFFFAOYSA-N","387470",NA,"PDBC22204","681274","Present"
-"4,6-Dimethyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyrimidine","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyrimidine","","CC1=CC(=NC(=N1)SC2=C(N=CN2C)[N+](=O)[O-])C","RDCXOZGOKGHQAI-UHFFFAOYSA-N","364614",NA,"PDBC22205","631144","Present"
-"4,6-Dimethyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]pyrimidine;iodide","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]pyrimidine;iodide","","CC1=CC(=NC(=N1)SCCC2=CC=CC=[N+]2C)C.[I-]","YKAUKHRCXVEIGF-UHFFFAOYSA-M","5351719",NA,"PDBC22206","24685","Present"
-"4,6-Dimethyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=CC(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C","WCKWVCKPENJQDR-UHFFFAOYSA-N","385422",NA,"PDBC22207","676602","Present"
-"4,6-Dimethyl-5-[(2-methyl-3H-benzimidazol-5-yl)diazenyl]-5H-pyrimidin-2-imine","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-5-[(2-methyl-3h-benzimidazol-5-yl)azo]-5h-pyrimidin-2-imine","","CC1=NC(=N)N=C(C1N=NC2=CC3=C(C=C2)N=C(N3)C)C","GJCYCOUCOACHQW-UHFFFAOYSA-N","396643",NA,"PDBC22208","703142","Present"
-"4,6-Dimethyl-5-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolo[3,4-c]pyrrole-1,3-dione","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-5-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolo[3,4-c]pyrrole-1,3-dione","","CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(C2=O)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F","FOCQFXLBUXZNBB-UHFFFAOYSA-N","401045",NA,"PDBC22209","713750","Present"
-"4,6-Dimethyl-7-methylaminocoumarin","","","","","","","","","","","","","","","","","","","","wln: t66 bovj e1 h1 im1","","CC1=CC2=C(C=C1NC)OC(=O)C=C2C","RIZOSFDXIXBLIP-UHFFFAOYSA-N","33293",NA,"PDBC22210","93948","Present"
-"4,6-Dimethyl-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]quinolin-2-amine","","CC1=CC2=C(C=C1)N=C(C=C2C)NN=CC3=CC=CC(=N3)C","KDNFQYYVOLGCGG-YBFXNURJSA-N","5771681",NA,"PDBC22211","332429","Present"
-"4,6-Dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","4,6-Dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine","","CC1=CC2=C(C=C1)N=C(C=C2C)NN=C(C)C3=CC=CC=N3","MQAAKPITBPYSEY-KGENOOAVSA-N","9569345",NA,"PDBC22212","332430","Present"
-"4,6-Dinitro-2,1,3-benzothiadiazole","","","","","","","","","","","","","","","","","","","","C6H2N4O4S","","C1=C(C=C(C2=NSN=C21)[N+](=O)[O-])[N+](=O)[O-]","BYLOIWCTRDPRTP-UHFFFAOYSA-N","305451",NA,"PDBC22213","202427","Present"
-"4,6-Dinitro-5,7-bis[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one","","","","","","","","","","","","","","","","","","","","4,6-Dinitro-5,7-bis[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one","","C1=C(OC(=C1)[N+](=O)[O-])C=NNC2=C(C(=C(C3=C2NC(=O)N3)[N+](=O)[O-])NN=CC4=CC=C(O4)[N+](=O)[O-])[N+](=O)[O-]","XLXCUDNBBXNJQR-CKVFWYFXSA-N","16129957",NA,"PDBC22214","715223","Present"
-"4,6-Dinitro-5-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one","","","","","","","","","","","","","","","","","","","","4,6-Dinitro-5-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one","","C1=C(OC(=C1)[N+](=O)[O-])C=NNC2=C(C=C3C(=C2[N+](=O)[O-])NC(=O)N3)[N+](=O)[O-]","QATQPISZCMUSHC-YIXHJXPBSA-N","11979481",NA,"PDBC22215","715221","Present"
-"4,6-Dinitro-5-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one","","","","","","","","","","","","","","","","","","","","4,6-Dinitro-5-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one","","C1=C(OC(=C1)[N+](=O)[O-])C=CC=NNC2=C(C=C3C(=C2[N+](=O)[O-])NC(=O)N3)[N+](=O)[O-]","NUYSJUBYWNEZDM-RFLQISBHSA-N","11979479",NA,"PDBC22216","710906","Present"
-"4,6-Dioxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4,6-Dioxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile","","C1CCN(C1)C2=C(C(=O)CC(=O)N2)C#N","DDHHWMQHDTWKOZ-UHFFFAOYSA-N","385020",NA,"PDBC22217","675873","Present"
-"4,6-Dioxo-5,6-diphenyl-N-(3-(trifluoromethyl)phenyl)hexanamide","","","","","","","","","","","","","","","","","","","","4,6-Dioxo-5,6-diphenyl-N-(3-(trifluoromethyl)phenyl)hexanamide","","C1=CC=C(C=C1)C(C(=O)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CC=C3","MVPAKGDNDXQWHM-UHFFFAOYSA-N","360361",NA,"PDBC22218","622419","Present"
-"4,6-Dioxo-N-(3-(trifluoromethyl)phenyl)heptanamide","","","","","","","","","","","","","","","","","","","","4,6-Dioxo-N-(3-(trifluoromethyl)phenyl)heptanamide","","CC(=O)CC(=O)CCC(=O)NC1=CC=CC(=C1)C(F)(F)F","MTENIPAQSNRHHC-UHFFFAOYSA-N","360432",NA,"PDBC22219","622568","Present"
-"4,6-Dioxoheptanoic acid","","","","","","","","","","","","","","","","","","","","Heptanoic acid, 4,6-dioxo-","","CC(=O)CC(=O)CCC(=O)O","WYEPBHZLDUPIOD-UHFFFAOYSA-N","5312",NA,"PDBC22220","174804","Present"
-"4,6-Diphenyl-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","4,6-Diphenyl-1,3,5-thiadiazinane-2-thione","","C1=CC=C(C=C1)C2NC(SC(=S)N2)C3=CC=CC=C3","PPCOHTPXMURTDH-UHFFFAOYSA-N","3701777",NA,"PDBC22221","150554","Present"
-"4,6-Diphenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4,6-Diphenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile","","C1=CC=C(C=C1)C2C=C(N(C(=C2C#N)S)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","LVMVPMRIRRYZFF-UHFFFAOYSA-N","385419",NA,"PDBC22222","676599","Present"
-"4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiol-2-one","","","","","","","","","","","","","","","","","","","","4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiol-2-one","","CC(C)(C)C1=CC(=C2C(=C1O)OC(=O)S2)C(C)(C)C","SNFKOPKJGBNCDM-UHFFFAOYSA-N","398519",NA,"PDBC22223","708430","Present"
-"4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiole-2-thione","","","","","","","","","","","","","","","","","","","","4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiole-2-thione","","CC(C)(C)C1=CC(=C2C(=C1O)OC(=S)S2)C(C)(C)C","DDCROOLEUJDVKN-UHFFFAOYSA-N","397596",NA,"PDBC22224","705937","Present"
-"4,6-Pyrimidinediol, 2-(1H-benzimidazol-2-ylamino)-5-propyl-","","","","","","","","","","","","","","","","","","","","4,6-Pyrimidinediol, 2-(1H-benzimidazol-2-ylamino)-5-propyl-","","CCCC1=C(N=C(NC1=O)NC2=NC3=CC=CC=C3N2)O","RGDUVHJXEAPBEU-UHFFFAOYSA-N","387154",NA,"PDBC22225","680668","Present"
-"4,6-Tribromo-7-(3-N-methylpiperazinyl-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride","","","","","","","","","","","","","","","","","","","","4,5,6-tribromo-7-(3-N-methylpiperazinyl-2-hydroxypropoxy...","","CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CN3CCN(CC3)C)O)C.Cl","XDUCUDRXKZQUNC-UHFFFAOYSA-N","45028075",NA,"PDBC22226","741080","Present"
-"4,6-Tribromo-7-(3-[4-(1-pyridyl)-1-piperazinyl]-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride","","","","","","","","","","","","","","","","","","","","4,5,6-tribromo-7-(3-[4-(1-pyridyl)-1-piperazinyl]-2-hydr...","","CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CN3CCN(CC3)C4=CC=CC=N4)O)C.Cl","FQGXCVCMGJCGMC-UHFFFAOYSA-N","45028083",NA,"PDBC22227","741084","Present"
-"4,6-Tribromo-7-(3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride","","","","","","","","","","","","","","","","","","","","4,5,6-tribromo-7-(3-[4-(2-methoxyphenyl)-1-piperazinyl]-...","","CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CN3CCN(CC3)C4=CC=CC=C4OC)O)C.Cl","GNYCBWFIZGHEQA-UHFFFAOYSA-N","45028081",NA,"PDBC22228","741083","Present"
-"4,6-Tribromo-7-(3-diethylamino-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride","","","","","","","","","","","","","","","","","","","","4,5,6-tribromo-7-(3-diethylamino-2-hydroxypropoxy)-2,3-d...","","CCN(CC)CC(COC1=C(C(=C(C2=C1OC(C2)(C)C)Br)Br)Br)O.Cl","QPKDYFPQAOWLCZ-UHFFFAOYSA-N","45028079",NA,"PDBC22229","741082","Present"
-"4,6-Tribromo-7-(3-morpholinyl-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride","","","","","","","","","","","","","","","","","","","","4,5,6-tribromo-7-(3-morpholinyl-2-hydroxypropoxy)-2,3-di...","","CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CN3CCOCC3)O)C.Cl","ZHJGTMGJZKMHMM-UHFFFAOYSA-N","45028077",NA,"PDBC22230","741081","Present"
-"4,6-Tribromo-7-(3-t-butyamino-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride","","","","","","","","","","","","","","","","","","","","4,5,6-tribromo-7-(3-t-butyamino-2-hydroxypropoxy)-2,3-di...","","CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CNC(C)(C)C)O)C.Cl","HSVJEFFFPZUCDG-UHFFFAOYSA-N","45028073",NA,"PDBC22231","741079","Present"
-"4,6a-Dihydro-3aH-cyclopenta[d][1,2,3]trithiole","","","","","","","","","","","","","","","","","","","","4,6a-Dihydro-3aH-cyclopenta[d][1,2,3]trithiole","","C1C=CC2C1SSS2","FQGAFLWXVAGMFY-UHFFFAOYSA-N","372812",NA,"PDBC22232","648475","Present"
-"4,6a-Dihydroxy-7-(4-methoxyphenyl)-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile","","","","","","","","","","","","","","","","","","","","4,6a-Dihydroxy-7-(4-methoxyphenyl)-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile","","CC1=C(C23C(=C(C=CC2(N1C4=CC=C(C=C4)OC)O)O)C(=O)N(C3=O)C5=CC=CC=C5)C#N","NHKXUYCRMRZTKY-UHFFFAOYSA-N","54746663",NA,"PDBC22233","740844","Present"
-"4,7,10-Tris((4-methylphenyl)sulfonyl)-1-thia-4,7,10-triazacyclododecane","","","","","","","","","","","","","","","","","","","","4,7,10-Tris((4-methylphenyl)sulfonyl)-1-thia-4,7,10-triazacyclododecane","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C","HEKPYWNWCRDDFX-UHFFFAOYSA-N","373816",NA,"PDBC22234","650779","Present"
-"4,7,12,15-Tetramethoxy-10-propyltetracyclo[8.7.1.03,8.011,16]octadeca-3,5,7,11,13,15-hexaen-18-one","","","","","","","","","","","","","","","","","","","","4,7,12,15-Tetramethoxy-10-propyltetracyclo[8.7.1.03,8.011,16]octadeca-3,5,7,11,13,15-hexaen-18-one","","CCCC12CC3=C(C=CC(=C3CC(C1=O)CC4=C(C=CC(=C24)OC)OC)OC)OC","BQKDLEQJNGWSHS-UHFFFAOYSA-N","359518",NA,"PDBC22235","620501","Present"
-"4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8,8,8] hexacos...","","","","","","","","","","","","","","","","","","","","4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8,8,8] hexacos...","","","","",NA,"PDBC22236","632607","Present"
-"4,7,8,10-Tetrahydro-2H-[1,4]oxazino[2,3-h][1,5]benzothiazepine-3,9-dione","","","","","","","","","","","","","","","","","","","","4,7,8,10-Tetrahydro-2H-[1,4]oxazino[2,3-h][1,5]benzothiazepine-3,9-dione","","C1CSC2=CC3=C(C=C2NC1=O)OCC(=O)N3","MOPYUBDHHQFRAX-UHFFFAOYSA-N","372611",NA,"PDBC22237","647972","Present"
-"4,7,8-Metheno-4H-1,4-benzothiazine-3,8,8a-tricarboxylic acid, 4a,7-dihydro-6-methyl-2-(methylthio)-, trimethyl ester","","","","","","","","","","","","","","","","","","","","Trimethyl 5-methyl-10-methylsulfanyl-9-thia-1-azatetracyclo[5.4.0.02,4.03,8]undeca-5,10-diene-3,8,11-tricarboxylate","","CC1=CC2C3(C4(C1C4N2C(=C(S3)SC)C(=O)OC)C(=O)OC)C(=O)OC","GQNAOXKODNWXIL-UHFFFAOYSA-N","375063",NA,"PDBC22238","653946","Present"
-"4,7-Bis[5-(2,1,3-benzothiadiazol-4-yl)-1H-pyrrol-2-yl]-2,1,3-benzothiadiazole","","","","","","","","","","","","","","","","","","","","4,7-Bis[5-(2,1,3-benzothiadiazol-4-yl)-1H-pyrrol-2-yl]-2,1,3-benzothiadiazole","","C1=CC2=NSN=C2C(=C1)C3=CC=C(N3)C4=CC=C(C5=NSN=C45)C6=CC=C(N6)C7=CC=CC8=NSN=C87","XFIPMJNWOGPOOS-UHFFFAOYSA-N","394789",NA,"PDBC22239","698574","Present"
-"4,7-Dichloro-1,2,3-benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","NSC636106","","C1=C(C2=NS[S+]=C2C(=C1)Cl)Cl.[Cl-]","VWLIXNSNKKASJE-UHFFFAOYSA-M","366943",NA,"PDBC22240","636106","Present"
-"4,7-Dichloro-2-phenylquinazoline","","","","","","","","","","","","","","","","","","","","7930AB","","C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=N2)Cl","YHPZVDQRVXUAKF-UHFFFAOYSA-N","362506",NA,"PDBC22241","626528","Present"
-"4,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","4,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one","","C1=COC(=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O","OBWWJIRIIGIDGW-UHFFFAOYSA-N","366726",NA,"PDBC22242","635443","Present"
-"4,7-Dichloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","4,7-Dichloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one","","C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O)F","JBFSDQSHSSHAOT-UHFFFAOYSA-N","366628",NA,"PDBC22243","635303","Present"
-"4,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","4,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=C(C=CC(=C4NC3=O)Cl)Cl)O","WQCYNLDLKZSHSU-UHFFFAOYSA-N","366652",NA,"PDBC22244","635327","Present"
-"4,7-Dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","4,7-Dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one","","C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C=CC(=C4NC3=O)Cl)Cl)O","VWMXTTTURNAMRN-UHFFFAOYSA-N","366524",NA,"PDBC22245","635133","Present"
-"4,7-Dichloro-8-iodoquinazoline","","","","","","","","","","","","","","","","","","","","4,7-Dichloro-8-iodoquinazoline","","C1=CC(=C(C2=C1C(=NC=N2)Cl)I)Cl","HYTRTTAFHASZOE-UHFFFAOYSA-N","374001",NA,"PDBC22246","651041","Present"
-"4,7-Dichloroquinazoline","","","","","","","","","","","","","","","","","","","","Quinazoline, 4,7-dichloro-","","C1=CC2=C(C=C1Cl)N=CN=C2Cl","FDPHWQSGEWRZOL-UHFFFAOYSA-N","241881",NA,"PDBC22247","49795","Present"
-"4,7-Dihydroxy-1H-1,2,3-triazolo[4,5-d]pyridazine-1-butyric acid","","","","","","","","","","","","","","","","","","","","4-(4,7-Dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)butanoic acid","","C(CC(=O)O)CN1C2=C(C(=O)NNC2=O)N=N1","PBZLPVABAXQWPI-UHFFFAOYSA-N","135489809",NA,"PDBC22248","679061","Present"
-"4,7-Dihydroxy-8-methyl-3-(p-tolylsulfonyl)chromen-2-one","","","","","","","","","","","","","","","","","","","","4,7-Dihydroxy-8-methyl-3-(p-tolylsulfonyl)chromen-2-one","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=C(C(=C(C=C3)O)C)OC2=O)O","LZWDPVNXTCKEEZ-UHFFFAOYSA-N","54686213",NA,"PDBC22249","695622","Present"
-"4,7-Dimethoxyfuro[2,3-b]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","4,7-Dimethoxyfuro[2,3-b]quinolin-8-ol","","COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)O","YETVAZKVSQUUFY-UHFFFAOYSA-N","371227",NA,"PDBC22250","645284","Present"
-"4,7-Dimethyl-1,10-phenanthroline","","","","","","","","","","","","","","","","","","","","4,7-Dimethyl-o-phenanthroline","","CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C","JIVLDFFWTQYGSR-UHFFFAOYSA-N","72792",NA,"PDBC22251","4281","Present"
-"4,7-Diphenyl-1,10-phenanthroline","","","","","","","","","","","","","","","","","","","","4,7-Diphenyl-1,10-phenanthroline","","C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5","DHDHJYNTEFLIHY-UHFFFAOYSA-N","72812",NA,"PDBC22252","637659","Present"
-"4,7-Diphenyl-1,10-phenanthroline;iron(2+);chloride","","","","","","","","","","","","","","","","","","","","4,7-Diphenyl-1,10-phenanthroline;iron(2+);chloride","","C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Cl-].[Fe+2]","OZTYFTUHRWHBKU-UHFFFAOYSA-M","24202031",NA,"PDBC22253","619181","Present"
-"4,7-Epoxy-1H-1,2,3-benzotriazole, 1-(2,2-dimethyl-1-oxopropoxy)-3a,4,5,6,7,7a-hexahydro-6,6-bis(phenylmethoxy)-","","","","","","","","","","","","","","","","","","","","[9,9-Bis(phenylmethoxy)-10-oxa-3,4,5-triazatricyclo[5.2.1.02,6]dec-4-en-3-yl] 2,2-dimethylpropanoate","","CC(C)(C)C(=O)ON1C2C(C3CC(C2O3)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)N=N1","YLKOPWNKCSOKQU-UHFFFAOYSA-N","368612",NA,"PDBC22254","639720","Present"
-"4,7-Epoxy-1H-1,2,3-benzotriazole-1-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-5,5-bis(phenylmethoxy)-, 1,1-dimethylethyl ester","","","","","","","","","","","","","","","","","","","","Tert-butyl 8,8-bis(phenylmethoxy)-10-oxa-3,4,5-triazatricyclo[5.2.1.02,6]dec-4-ene-3-carboxylate","","CC(C)(C)OC(=O)N1C2C3CC(C(C2N=N1)O3)(OCC4=CC=CC=C4)OCC5=CC=CC=C5","YORGOOPBWMDNPQ-UHFFFAOYSA-N","368611",NA,"PDBC22255","639719","Present"
-"4,7-Epoxy-1H-1,2,3-benzotriazole-1-carboxylic acid, 5-(acetyloxy)-5-cyano-3a,4,5,6,7,7a-hexahydro-, ethyl ester, (5S,7aS)-","","","","","","","","","","","","","","","","","","","","Ethyl (2S,8S)-8-acetyloxy-8-cyano-10-oxa-3,4,5-triazatricyclo[5.2.1.02,6]dec-4-ene-3-carboxylate","","CCOC(=O)N1C2C3CC(C(C2N=N1)O3)(C#N)OC(=O)C","TZADEKGEFMPFBJ-ADBPREKYSA-N","465207",NA,"PDBC22256","628439","Present"
-"4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-4-[(2-propynyloxy)methyl]-","","","","","","","","","","","","","","","","","","","","NSC673445///NSC673447","","CN1C(=O)C2C3C=CC(C2C1=O)(O3)COCC#C","NNCFMBDCZRRLBH-UHFFFAOYSA-N","384156",NA,"PDBC22257","673445///673447","Present"
-"4,7-Epoxy-1H-isoindole-5-acetic acid, octahydro-7-(methoxycarbonyl)-4-methyl-1,3,6-trioxo-2-phenyl-, 1,1-dimethylethyl ester","","","","","","","","","","","","","","","","","","","","Methyl 7-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3,5-trioxo-2-phenyl-6,7a-dihydro-3aH-4,7-epoxyisoindole-4-carboxylate","","CC12C(C(=O)C(O1)(C3C2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC)CC(=O)OC(C)(C)C","YKSHORCXQHQFSI-UHFFFAOYSA-N","394457",NA,"PDBC22258","697931","Present"
-"4,7-Epoxy-5H-pyrrolo[3,4-c]pyridine-5-acetic acid, octahydro-7-(methoxycarbonyl)-4-(4-nitrophenyl)-1,3,6-trioxo-2-phenyl-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 8-(2-methoxy-2-oxoethyl)-7-(4-nitrophenyl)-3,5,9-trioxo-4-phenyl-10-oxa-4,8-diazatricyclo[5.2.1.02,6]decane-1-carboxylate","","COC(=O)CN1C(=O)C2(C3C(C1(O2)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C3=O)C5=CC=CC=C5)C(=O)OC","BNBPCLOUUOSCEH-UHFFFAOYSA-N","394456",NA,"PDBC22259","697930","Present"
-"4,7-Epoxycyclopent[d][1,3]oxazin-2(1H)-one, hexahydro-6,6-bis(phenylmethoxy)-","","","","","","","","","","","","","","","","","","","","4,7-Epoxycyclopent[d][1,3]oxazin-2(1H)-one, hexahydro-6,6-bis(phenylmethoxy)-","","C1C2C3C(C1(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC2OC(=O)N3","SFZWSXJPRKAORB-UHFFFAOYSA-N","368605",NA,"PDBC22260","639714","Present"
-"4,7-Epoxyisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-4-[(2-propynyloxy)methyl]-","","","","","","","","","","","","","","","","","","","","4,7-Epoxyisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-4-[(2-propynyloxy)methyl]-","","C#CCOCC12C=CC(O1)C3C2COC3=O","GYGRMPPKEKYBFK-UHFFFAOYSA-N","384154",NA,"PDBC22261","673443","Present"
-"4,7-Epoxyisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-7-[(2-propynyloxy)methyl]-","","","","","","","","","","","","","","","","","","","","4,7-Epoxyisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-7-[(2-propynyloxy)methyl]-","","C#CCOCC12C=CC(O1)C3C2C(=O)OC3","AMFXCXYIQYNCFM-UHFFFAOYSA-N","384155",NA,"PDBC22262","673444","Present"
-"4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-3a,7a-dimethyl-","","","","","","","","","","","","","","","","","","","","4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-3a,7a-dimethyl-","","CC12C3C=CC(C1(C(=O)OC2=O)C)O3","RXBROZSQDAUFHD-UHFFFAOYSA-N","381107",NA,"PDBC22263","667270","Present"
-"4,7-Ethano-3a,7a-(methanoiminomethano)-1H-isoindole-1,3,8,10(2H)-tetrone, 4,7-dihydro-","","","","","","","","","","","","","","","","","","","","8,11-Diazatetracyclo[4.3.3.22,5.01,6]tetradec-3-ene-7,9,10,12-tetrone","","C1CC2C=CC1C34C2(C(=O)NC3=O)C(=O)NC4=O","PXLZWEXXRPTWHY-UHFFFAOYSA-N","377597",NA,"PDBC22264","659171","Present"
-"4,7-Ethenocyclobuta[3',4']cyclobuta[1',2':4,5]benzo[1,2-c]furan-1,3-dione, 3a,4,4a,4b,6a,6b,7,7a-octahydro-","","","","","","","","","","","","","","","","","","","","11-Oxapentacyclo[6.5.2.02,7.03,6.09,13]pentadeca-4,14-diene-10,12-dione","","C1=CC2C1C3C2C4C=CC3C5C4C(=O)OC5=O","UOHVXCZAZIYNAK-UHFFFAOYSA-N","361822",NA,"PDBC22265","625140","Present"
-"4,7-Ethenopyrano[3,4-c]pyrrole-9-carboxylic acid, 1,2,3,3a,4,6,7,7a-octahydro-1,3,6-trioxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 3,5,9-trioxo-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-ene-11-carboxylate","","COC(=O)C1=CC2C3C(C1OC2=O)C(=O)NC3=O","ZJMMDPXNFQBWNT-UHFFFAOYSA-N","368286",NA,"PDBC22266","638790","Present"
-"4,7-Methano-1,2-benzisoxazole, 3-(4-chlorophenyl)-3a,4,5,6,7,7a-hexahydro-","","","","","","","","","","","","","","","","","","","","4,7-Methano-1,2-benzisoxazole, 3-(4-chlorophenyl)-3a,4,5,6,7,7a-hexahydro-","","C1CC2CC1C3C2ON=C3C4=CC=C(C=C4)Cl","LIDSHSJJGBRCMP-UHFFFAOYSA-N","368747",NA,"PDBC22267","639901","Present"
-"4,7-Methano-1,2-benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-(3-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","4,7-Methano-1,2-benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-(3-nitrophenyl)-","","C1CC2CC1C3C2ON=C3C4=CC(=CC=C4)[N+](=O)[O-]","QXHHGEFRUFZFRR-UHFFFAOYSA-N","368748",NA,"PDBC22268","639902","Present"
-"4,7-Methano-1,2-benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-phenyl-","","","","","","","","","","","","","","","","","","","","3-Phenyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzisoxazole","","C1CC2CC1C3C2ON=C3C4=CC=CC=C4","YNXKJMWFYRXAGQ-UHFFFAOYSA-N","368746",NA,"PDBC22269","639900","Present"
-"4,7-Methano-1H-indene, 1,2-dibromo-5-chlorooctahydro-6-nitroso-","","","","","","","","","","","","","","","","","","","","4,7-Methanoindan, 1,2-dibromo-5-chloro hexahydro-6-nitro...","","C1C2C3CC(C(C3C1C(C2Cl)N=O)Br)Br","RTOAGUKGFNBCKI-UHFFFAOYSA-N","290651",NA,"PDBC22270","154743","Present"
-"4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-1,1,8,8-tetramethoxy-","","","","","","","","","","","","","","","","","","","","5,5,10,10-Tetramethoxytricyclo[5.2.1.02,6]deca-3,8-diene","","COC1(C=CC2C1C3C=CC2C3(OC)OC)OC","OIQZERUJDITKRB-UHFFFAOYSA-N","380734",NA,"PDBC22271","666441","Present"
-"4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]-","","","","","","","","","","","","","","","","","","","","4-(1,3-Dihydroxy-2-methylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione","","CC(CO)(CO)N1C(=O)C2C3CC(C2C1=O)C=C3","WRMJQSBMRWQTNQ-UHFFFAOYSA-N","380637",NA,"PDBC22272","666313","Present"
-"4,7-Methanobenzo[b]thiophene-5-carboxylic acid, 2,2,3,3-tetrafluorooctahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","4,7-Methanobenzo[b]thiophene-5-carboxylic acid, 2,2,3,3-tetrafluorooctahydro-, methyl ester","","COC(=O)C1CC2CC1C3C2SC(C3(F)F)(F)F","HCPVBBPSFIHYAT-UHFFFAOYSA-N","379832",NA,"PDBC22273","664963","Present"
-"4,7-Methanobenzo[c]thiophene, 4,5,6,7-tetrahydro-1,3-diphenyl-","","","","","","","","","","","","","","","","","","","","4,7-Methanobenzo[c]thiophene, 4,5,6,7-tetrahydro-1,3-diphenyl-","","C1CC2CC1C3=C(SC(=C23)C4=CC=CC=C4)C5=CC=CC=C5","KYMBUBVYNREWMP-UHFFFAOYSA-N","381276",NA,"PDBC22274","667712","Present"
-"4,8,11-Tris((4-methylphenyl)sulfonyl)-1-thia-4,8,11-triazacyclotetradecane","","","","","","","","","","","","","","","","","","","","4,8,11-Tris((4-methylphenyl)sulfonyl)-1-thia-4,8,11-triazacyclotetradecane","","CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCSCCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C","MCAHHGFCBLGPGL-UHFFFAOYSA-N","373815",NA,"PDBC22275","650778","Present"
-"4,8,8-Trimethyl-1H-pyrano[2,3-h]quinolin-2-one","","","","","","","","","","","","","","","","","","","","4,8,8-Trimethyl-8H-pyrano[2,3-h]quinolin-2-ol","","CC1=CC(=O)NC2=C1C=CC3=C2C=CC(O3)(C)C","FCVQLBDLMFSDAX-UHFFFAOYSA-N","395574",NA,"PDBC22276","700280","Present"
-"4,8,9,9-Tetracarbonitrile, 2,4,7,7a-tetrahydro-","","","","","","","","","","","","","","","","","","","","4,7-Ethano-1H-indene-8,8,9,9-tetracarbonitrile, 2,4,7,7a...","","C1CC2C3C=CC(C2=C1)C(C3(C#N)C#N)(C#N)C#N","NMDYXEJUQZVVHX-UHFFFAOYSA-N","296974",NA,"PDBC22277","167551","Present"
-"4,8,9,9-Tetracarbonitrile, 3a,4,7,7a-tetrahydro-","","","","","","","","","","","","","","","","","","","","4,7-Ethano-1H-indene-8,8,9,9-tetracarbonitrile, 3a,4,7,7...","","C1C=CC2C1C3C=CC2C(C3(C#N)C#N)(C#N)C#N","CYSTZUCLHDKJNU-UHFFFAOYSA-N","296973",NA,"PDBC22278","167550","Present"
-"4,8-Bis(acetylamino)-1-naphthyl thiocyanate","","","","","","","","","","","","","","","","","","","","(4,8-diacetamido-1-naphthyl) thiocyanate","","CC(=O)NC1=C2C=CC=C(C2=C(C=C1)SC#N)NC(=O)C","UUCQONZKEPLUFP-UHFFFAOYSA-N","361868",NA,"PDBC22279","625188","Present"
-"4,8-Bis(dicyanomethylene)-2,6-dithia-2H,6H-1,3,5,7-tetraaza-s-indacene","","","","","","","","","","","","","","","","","","","","2-[8-(Dicyanomethylidene)-[1,2,5]thiadiazolo[3,4-f][2,1,3]benzothiadiazol-4-ylidene]propanedinitrile","","C(#N)C(=C1C2=NSN=C2C(=C(C#N)C#N)C3=NSN=C13)C#N","WWJXWOZMFLRPQR-UHFFFAOYSA-N","360481",NA,"PDBC22280","622615","Present"
-"4,8-Bis[(3,5-ditert-butylphenyl)methoxy]-[1,3]dithiolo[4,5-f][1,3]benzodithiole-2,6-dithione","","","","","","","","","","","","","","","","","","","","4,8-Bis[(3,5-ditert-butylphenyl)methoxy]-[1,3]dithiolo[4,5-f][1,3]benzodithiole-2,6-dithione","","CC(C)(C)C1=CC(=CC(=C1)COC2=C3C(=C(C4=C2SC(=S)S4)OCC5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)SC(=S)S3)C(C)(C)C","DMUGRLQSDRWKRP-UHFFFAOYSA-N","362822",NA,"PDBC22281","627179","Present"
-"4,8-Dichloro-6,11-dimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","4,8-dichloro-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrim...","","CC1CC2=C(N=CN=C2Cl)N(C3=C1C=C(C=C3)Cl)C","BJNRIFXVPSUSLV-UHFFFAOYSA-N","155815145",NA,"PDBC22282","782534","Present"
-"4,8-Diethoxythieno[2,3-f][1]benzothiole","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']dithiophene, 4,8-diethoxy-","","CCOC1=C2C=CSC2=C(C3=C1SC=C3)OCC","XKWFECQTSQIZJK-UHFFFAOYSA-N","387771",NA,"PDBC22283","681825","Present"
-"4,8-Dihydroxy-4-methylbicyclo[3.2.1]octane-1-carbonitrile","","","","","","","","","","","","","","","","","","","","4,8-Dihydroxy-4-methylbicyclo[3.2.1]octane-1-carbonitrile","","CC1(CCC2(CCC1C2O)C#N)O","FJSISPNYZHFTCV-UHFFFAOYSA-N","371762",NA,"PDBC22284","646205","Present"
-"4,8-Dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one","","","","","","","","","","","","","","","","","","","","4,8-Dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one","","CC1=COC2=C1C(C3=C(C2=O)C(=CC(=C3C)OC)O)(C)O","UGIZRFRSCNHRSP-UHFFFAOYSA-N","362559",NA,"PDBC22285","626641","Present"
-"4,8-Dimethoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole","","","","","","","","","","","","","","","","","","","","4,8-Dimethoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole","","COC1=CC2=C(C=C1)N(C3=C2CCC4=C3C=CC=C4OC)CCN5CCCCC5","NYNROQHGLBJGON-UHFFFAOYSA-N","390908",NA,"PDBC22286","689083","Present"
-"4,8-Dimethoxy-6,11-dihydro-5H-benzo[a]carbazole","","","","","","","","","","","","","","","","","","","","4,8-Dimethoxy-6,11-dihydro-5H-benzo[a]carbazole","","COC1=CC2=C(C=C1)NC3=C2CCC4=C3C=CC=C4OC","CIXLCZNDMLHJGC-UHFFFAOYSA-N","390907",NA,"PDBC22287","689082","Present"
-"4,8-Dimethoxythieno[2,3-f][1]benzothiole","","","","","","","","","","","","","","","","","","","","DJAREVVDYFIGBP-UHFFFAOYSA-N","","COC1=C2C=CSC2=C(C3=C1SC=C3)OC","DJAREVVDYFIGBP-UHFFFAOYSA-N","387773",NA,"PDBC22288","681827","Present"
-"4,8-Dioxothieno[3,2-f][1]benzothiole-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde, 4,8-dioxo-","","C1=CSC2=C1C(=O)C3=C(C2=O)SC(=C3)C=O","BNSGSFPTSNIIMM-UHFFFAOYSA-N","375902",NA,"PDBC22289","656239","Present"
-"4,8-Ethenopyrrolo[3,4-f]isoindole-9-carboxylic acid, 1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-8,10-dimethyl-1,3,5,7-tetraoxo-, ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate","","CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)NC4=O)C)C(=O)NC3=O)C","DQHZYZKPZAYQIF-UHFFFAOYSA-N","372068",NA,"PDBC22290","646934","Present"
-"4,8-Methanoazulene-1,9(2H)-dione, octahydro-2,2,4,8-tetramethyl-","","","","","","","","","","","","","","","","","","","","1,4,4,7-Tetramethyltricyclo[5.3.1.02,6]undecane-3,11-dione","","CC1(CC2C(C1=O)C3(CCCC2(C3=O)C)C)C","JADJNAKWESLSIG-UHFFFAOYSA-N","382547",NA,"PDBC22291","670157","Present"
-"4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol,5,6,7,8,14,14b-hexahydro-7-methyl-, (4bS,8R,8aS,14bR)-","","","","","","","","","","","","","","","","","","","","22-Methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol","","CN1CCC23C4C5=C(CC2(C1CC6=C3C(=C(C=C6)O)O4)O)C7=CC=CC=C7N5","YQNZUKAKYJMEFE-UHFFFAOYSA-N","398245",NA,"PDBC22292","707844","Present"
-"4,8:6,10-Dimethanoisoxazolo[2,3-a]azonine-3-carboxylic acid, 3a,4,5,6,7,8,9,10-octahydro-3a-methyl-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 6-methyl-3-oxa-2-azatetracyclo[7.3.1.17,11.02,6]tetradec-4-ene-5-carboxylate","","CC12C3CC4CC(C3)CC(C4)N1OC=C2C(=O)OC","SMZJZPDJPHIEPK-UHFFFAOYSA-N","382989",NA,"PDBC22293","670946","Present"
-"4,8a-Dimethyl-6-(6-methyl-4-oxoheptan-2-yl)-1,4a,5,6,7,8-hexahydronaphthalen-2-one","","","","","","","","","","","","","","","","","","","","6-(1,5-Dimethyl-3-oxo-hexyl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one","","CC1=CC(=O)CC2(C1CC(CC2)C(C)CC(=O)CC(C)C)C","KSTIKZQCKBKJKQ-UHFFFAOYSA-N","390517",NA,"PDBC22294","687958","Present"
-"4,9,13,18-Tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),3(10),8,13-tetraene-2,11-dione","","","","","","","","","","","","","","","","","","","","4,9,13,18-Tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),3(10),8,13-tetraene-2,11-dione","","C1CC2=NC3=C(N2C1)C(=O)C4=C(C3=O)N=C5N4CCC5","DTQQFGXBNSEYAW-UHFFFAOYSA-N","374655",NA,"PDBC22295","652731","Present"
-"4,9-Bis(2,4,6-trimethylphenyl)-1,2,3,4,6,7,8,9-octahydropyrido[3,4-g]isoquinoline; 2-hydroxy-2-phenyl-acetic acid","","","","","","","","","","","","","","","","","","","","Pyrido[3,4-g]isoquinoline, 1,2,3,4,6,7,8,9-octahydro- 4,...","","CC1=CC(=C(C(=C1)C)C2CNCC3=CC4=C(CNCC4C5=C(C=C(C=C5C)C)C)C=C23)C.C1=CC=C(C=C1)C(C(=O)O)O","UZWBYNIXIHMYOQ-UHFFFAOYSA-N","499458",NA,"PDBC22296","678412","Present"
-"4,9-Bis(4-methylphenyl)-3,10-bis(methylthio)-5,8-diphenyl-1,2,5,8-dithiadiazecine-6,7(5H,8H)-dione","","","","","","","","","","","","","","","","","","","","(3Z,9Z)-3,10-Bis(methylsulfanyl)-5,8-diphenyl-4,9-bis(p-tolyl)-1,2,5,8-dithiadiazecine-6,7-dione","","CC1=CC=C(C=C1)C2=C(SSC(=C(N(C(=O)C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C)SC)SC","GWXFLPHMVDEBPY-YIVISXGPSA-N","3005077",NA,"PDBC22297","670364","Present"
-"4,9-Bis[4-(4-aminophenoxy)phenyl]diamantane","","","","","","","","","","","","","","","","","","","","4,9-Bis[4-(4-aminophenoxy)phenyl]diamantane","","C1C2C3CC4(CC2C5CC1(CC3C5C4)C6=CC=C(C=C6)OC7=CC=C(C=C7)N)C8=CC=C(C=C8)OC9=CC=C(C=C9)N","GNFVTFLSFCYAML-UHFFFAOYSA-N","397905",NA,"PDBC22298","706830","Present"
-"4,9-Diaminodiamantane","","","","","","","","","","","","","","","","","","","","4,9-Diaminodiamantane","","C1C2C3CC4(CC2C5CC1(CC3C5C4)N)N","OQFGCBHYTPVGEY-UHFFFAOYSA-N","397912",NA,"PDBC22299","706837","Present"
-"4,9-Diaza-4H-dibenzo[a,de]naphthacene","","","","","","","","","","","","","","","","","","","","12,20-Diazahexacyclo[11.11.1.02,11.04,9.014,19.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene","","C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC5=NC6=CC=CC=C6C(=C54)N3","PVYQSPFUJLWTQF-UHFFFAOYSA-N","438795",NA,"PDBC22300","670695","Present"
-"4,9-Dichloro-3,8-bis(2-chloroethyl)-2,7-dimethylbenzo[g]quinoline","","","","","","","","","","","","","","","","","","","","4,9-Dichloro-3,8-bis(2-chloroethyl)-2,7-dimethylbenzo[g]quinoline","","CC1=CC2=CC3=C(C(=C(N=C3C=C2C(=C1CCCl)Cl)C)CCCl)Cl","FXYGOSMCNPRVBV-UHFFFAOYSA-N","387224",NA,"PDBC22301","680786","Present"
-"4,9-Dihydro-3H-pyrido[3,4-b]indol-2-ium-2-yl-(5-methoxy-2,5-dihydrofuran-2-yl)methanone","","","","","","","","","","","","","","","","","","","","4,9-Dihydro-3H-pyrido[3,4-b]indol-2-ium-2-yl-(5-methoxy-2,5-dihydrofuran-2-yl)methanone","","COC1C=CC(O1)C(=O)[N+]2=CC3=C(CC2)C4=CC=CC=C4N3","HHOFCAVELYLMKU-UHFFFAOYSA-O","372323",NA,"PDBC22302","647382","Present"
-"4,9-Dihydro[1,4]thiazino[2,3-g][1,4]benzoxazine-3,8(2H,7H)-dione","","","","","","","","","","","","","","","","","","","","4,9-Dihydro[1,4]thiazino[2,3-g][1,4]benzoxazine-3,8(2H,7H)-dione","","C1C(=O)NC2=C(O1)C=C3C(=C2)SCC(=O)N3","HLARMQHPYJGSOW-UHFFFAOYSA-N","372612",NA,"PDBC22303","647973","Present"
-"4,9-Dihydroxy-2'-methoxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one","","","","","","","","","","","","","","","","","","","","4,9-Dihydroxy-2'-methoxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one","","COC1=CC2(CCN=C3C2=C(C4=NC=NC4=C3O)O)C=CC1=O","DWEQOBSYTVYBMT-UHFFFAOYSA-N","4438097",NA,"PDBC22304","682434","Present"
-"4,9-Dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one","","","","","","","","","","","","","","","","","","","","NSC671094///NSC671194","","C1CN=C2C(=C(C3=NC=NC3=C2O)O)C14C=CC(=O)C=C4","SGQJZRVKYUTVFU-UHFFFAOYSA-N","383050",NA,"PDBC22305","671094///671194","Present"
-"4,9-Dimethyl-1,2-bis(trifluoromethyl)-3,10-dioxa-5,8-diazatricyclo[5.3.0.02,6]deca-4,8-diene-6,7-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","4,9-Dimethyl-1,2-bis(trifluoromethyl)-3,10-dioxa-5,8-diazatricyclo[5.3.0.02,6]deca-4,8-diene-6,7-dicarboxylic acid","","CC1=NC2(C3(C(C2(O1)C(F)(F)F)(OC(=N3)C)C(F)(F)F)C(=O)O)C(=O)O","ARIUVDLPYPBNMB-UHFFFAOYSA-N","357623",NA,"PDBC22306","617147","Present"
-"4,9-Dioxo-1-H-naphth[2.3-D]imidazolium, bromide","","","","","","","","","","","","","","","","","","","","1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-2-methyl-1-(2-m...","","CC1=[N+](C2=C(N1CC(C)C)C(=O)C3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]","SDVDJIZVNFVMLG-UHFFFAOYSA-M","24188901",NA,"PDBC22307","80467","Present"
-"4,9-Epoxynaphtho[2,3-c]furan-1,3-dione, 5,6,7,8-tetrabromo-3a,4,9,9a-tetrahydro-4,9-diphenyl-","","","","","","","","","","","","","","","","","","","","4,9-Epoxynaphtho[2,3-c]furan-1,3-dione, 5,6,7,8-tetrabromo-3a,4,9,9a-tetrahydro-4,9-diphenyl-","","C1=CC=C(C=C1)C23C4C(C(=O)OC4=O)C(O2)(C5=C3C(=C(C(=C5Br)Br)Br)Br)C6=CC=CC=C6","BGYCSUWVTBUNEJ-UHFFFAOYSA-N","363397",NA,"PDBC22308","628300","Present"
-"4,9-Methano-1H-biphenyleno[2,3-d]-1,2,3-triazole, 3a,4,4a,8b,9,9a-hexahydro-1-phenyl-","","","","","","","","","","","","","","","","","","","","4,9-Methano-1H-biphenyleno[2,3-d]-1,2,3-triazole, 3a,4,4a,8b,9,9a-hexahydro-1-phenyl-","","C1C2C3C(C1C4C2N=NN4C5=CC=CC=C5)C6=CC=CC=C36","UKTVKFFIDCNWLV-UHFFFAOYSA-N","363207",NA,"PDBC22309","627881","Present"
-"4,9-Methanonaphtho[2,3-c]furan-4(1H)-carboxylic acid, 3,3a,9,9a-tetrahydro-1,3-dioxo-, methyl ester","","","","","","","","","","","","","","","","","","","","4,9-Methanonaphtho[2,3-c]furan-4(1H)-carboxylic acid, 3,3a,9,9a-tetrahydro-1,3-dioxo-, methyl ester","","COC(=O)C12CC(C3C1C(=O)OC3=O)C4=CC=CC=C24","BHFQMBLZJCNYDH-UHFFFAOYSA-N","367131",NA,"PDBC22310","636518","Present"
-"4-(((((1-Methylethylidene)amino)oxy)carbonyl)amino)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","4-(((((1-Methylethylidene)amino)oxy)carbonyl)amino)-1,3-benzodioxole","","CC(=NOC(=O)NC1=C2C(=CC=C1)OCO2)C","HOWDTJXNBAPBDN-UHFFFAOYSA-N","379600",NA,"PDBC22311","664296","Present"
-"4-((((4-Methoxyphenyl)(2-thienyl)methylene)amino)oxy)butanoic acid","","","","","","","","","","","","","","","","","","","","4-((((4-Methoxyphenyl)(2-thienyl)methylene)amino)oxy)butanoic acid","","COC1=CC=C(C=C1)C(=NOCCCC(=O)O)C2=CC=CS2","UTRPLBBUWAHEFB-MSUUIHNZSA-N","6368226",NA,"PDBC22312","685415","Present"
-"4-(((2,3-Dichloroanilino)carbonyl)amino)phenylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-204103","","C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=CC=C(C=C2)[As](=O)(O)O","WTYVAGJCPVHCHA-UHFFFAOYSA-N","306424",NA,"PDBC22313","204103","Present"
-"4-(((2,3-Dimethoxy-6-quinoxalinyl)methyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(((2,3-Dimethoxy-6-quinoxalinyl)methyl)amino)benzoic acid","","COC1=NC2=C(C=C(C=C2)CNC3=CC=C(C=C3)C(=O)O)N=C1OC","UFGIJKJWJAUFNM-UHFFFAOYSA-N","379031",NA,"PDBC22314","662793","Present"
-"4-(((2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)-2-hydroxybenzoic acid","","","","","","","","","","","","","","","","","","","","Salicylic acid, 4-[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimi...","","C1=CC(=C(C=C1NC(=O)CN2C=CC(=O)NC2=O)O)C(=O)O","CSMIMYLGRREXAC-UHFFFAOYSA-N","261126",NA,"PDBC22315","93033","Present"
-"4-(((2,6-Dimethylanilino)carbonyl)amino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","1-(4-SULFAMOYLPHENYL)-3-(2,6-XYLYL)UREA","","CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N","BFUVAEAKGNIVMZ-UHFFFAOYSA-N","307727",NA,"PDBC22316","205842","Present"
-"4-(((2-Fluoroanilino)carbonyl)amino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(((2-Fluoroanilino)carbonyl)amino)benzenesulfonamide","","C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F","OWWHFDSAOSYTOX-UHFFFAOYSA-N","306968",NA,"PDBC22317","204667","Present"
-"4-(((3-Chloro-4-(4-chlorophenoxy)phenyl)imino)methyl)-2-ethoxyphenol","","","","","","","","","","","","","","","","","","","","4-(((3-Chloro-4-(4-chlorophenoxy)phenyl)imino)methyl)-2-ethoxyphenol","","CCOC1=C(C=CC(=C1)C=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl)O","QXRDGTMUGPLSKA-UHFFFAOYSA-N","392948",NA,"PDBC22318","694162","Present"
-"4-(((4-((4-Carboxyanilino)(diethoxyphosphoryl)methyl)phenyl)(diethoxyphosphoryl)methyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[[4-[(4-Carboxyanilino)-diethoxyphosphorylmethyl]phenyl]-diethoxyphosphorylmethyl]amino]benzoic acid","","CCOP(=O)(C(C1=CC=C(C=C1)C(NC2=CC=C(C=C2)C(=O)O)P(=O)(OCC)OCC)NC3=CC=C(C=C3)C(=O)O)OCC","VUZJCUFHVIDLGZ-UHFFFAOYSA-N","395131",NA,"PDBC22319","699422","Present"
-"4-(((4-Methylphenyl)sulfonyl)oxy)phenyl 2-cyano-3-methoxybenzoate","","","","","","","","","","","","","","","","","","","","4-(((4-Methylphenyl)sulfonyl)oxy)phenyl 2-cyano-3-methoxybenzoate","","CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC(=O)C3=C(C(=CC=C3)OC)C#N","KWJXPYVOXUDWRS-UHFFFAOYSA-N","383758",NA,"PDBC22320","672200","Present"
-"4-(((6-Iodo-2-(2-thienyl)quinazolin-4-yl)amino)methyl)benzen esulfonamide","","","","","","","","","","","","","","","","","","","","4-(((6-Iodo-2-(2-thienyl)quinazolin-4-yl)amino)methyl)be...","","C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=N2)NCC4=CC=C(C=C4)S(=O)(=O)N","XMFXMTUGJUCEQS-UHFFFAOYSA-N","404800",NA,"PDBC22321","721318","Present"
-"4-(((Aminocarbonyl)oxy)imino)-1-benzylpiperidine","","","","","","","","","","","","","","","","","","","","4-(((Aminocarbonyl)oxy)imino)-1-benzylpiperidine","","C1CN(CCC1=NOC(=O)N)CC2=CC=CC=C2","OTTJCLRRNYGLSC-UHFFFAOYSA-N","380234",NA,"PDBC22322","665711","Present"
-"4-(((Benzyloxy)carbonyl)amino)-5-((1-carboxy-2-(1H-imidazol-4-yl)ethyl)amino)-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","4-(((Benzyloxy)carbonyl)amino)-5-((1-carboxy-2-(1H-imidazol-4-yl)ethyl)amino)-5-oxopentanoic acid","","C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)O","BKTLDUAIYORMAO-UHFFFAOYSA-N","381736",NA,"PDBC22323","668596","Present"
-"4-(((Cyanoamino)(imino)methyl)amino)-N-(2,6-dimethylphenyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","4-(((Cyanoamino)(imino)methyl)amino)-N-(2,6-dimethylphenyl)-4-oxobutanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NC(=NC#N)N","WXCSRSIKIQIWKZ-UHFFFAOYSA-N","135429983",NA,"PDBC22324","630297","Present"
-"4-((1,2-Bis(2-chlorophenyl)hydrazino)methyl)pyridine","","","","","","","","","","","","","","","","","","","","4-((1,2-Bis(2-chlorophenyl)hydrazino)methyl)pyridine","","C1=CC=C(C(=C1)NN(CC2=CC=NC=C2)C3=CC=CC=C3Cl)Cl","OEWOKUHPJQNSCI-UHFFFAOYSA-N","283211",NA,"PDBC22325","137578","Present"
-"4-((1,3-Thiazol-2-ylamino)sulfonyl)phenylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-12636","","C1=CC(=CC=C1S(=O)(=O)NC2=NC=CS2)[As](=O)(O)O","BOHCOZHNBWFBQC-UHFFFAOYSA-N","224267",NA,"PDBC22326","12636","Present"
-"4-((1-((Ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-((1-((Ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoic acid","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)C(=O)O","OBYAPSBFZPVRQA-UHFFFAOYSA-N","383559",NA,"PDBC22327","671977","Present"
-"4-((1-(1-Adamantylmethyl)-2-methoxy-2-oxoethyl)amino)-3-amino-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-((1-(1-Adamantylmethyl)-2-methoxy-2-oxoethyl)amino)-3-amino-4-oxobutanoic acid","","COC(=O)C(CC12CC3CC(C1)CC(C3)C2)NC(=O)C(CC(=O)O)N","QSLZIGAHAQCYFC-UHFFFAOYSA-N","382217",NA,"PDBC22328","669674","Present"
-"4-((1-(3-(2-Methoxyanilino)-3-oxopropanoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(E)-[1-[3-(2-Methoxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3OC","RNZQNRXGBXKHDZ-UHFFFAOYSA-N","387766",NA,"PDBC22329","681820","Present"
-"4-((1-(3-(4-Methoxyanilino)-3-oxopropanoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(E)-[1-[3-(4-Methoxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=C(C=C3)OC","NAWFPOYOMLERBD-UHFFFAOYSA-N","387768",NA,"PDBC22330","681822","Present"
-"4-((1-(3-Anilino-3-oxopropanoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(E)-[1-(3-Anilino-3-oxo-propanoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3","MVQTXYTUVHSXSU-UHFFFAOYSA-N","387759",NA,"PDBC22331","681813","Present"
-"4-((1-Adamantylimino)methyl)benzonitrile","","","","","","","","","","","","","","","","","","","","N-1-Adamantyl-p-cyanobenzalimine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)C#N","WDYDSKBVZWCQLT-UHFFFAOYSA-N","365174",NA,"PDBC22332","632384","Present"
-"4-((1-Carboxy-2-(4-hydroxyphenyl)ethyl)amino)-4-oxo-3-((trifluoroacetyl)amino)butanoic acid","","","","","","","","","","","","","","","","","","","","4-((1-Carboxy-2-(4-hydroxyphenyl)ethyl)amino)-4-oxo-3-((trifluoroacetyl)amino)butanoic acid","","C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(F)(F)F)O","XCSNMNASSJFQBX-UHFFFAOYSA-N","381463",NA,"PDBC22333","668051","Present"
-"4-((1-Chloro-4-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-9-acridinyl)amino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[1-Chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO)Cl","OVHIUNRMDHFMQG-UHFFFAOYSA-N","370678",NA,"PDBC22334","644054","Present"
-"4-((1-Methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-((1-Methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide","","CN1C(=O)C(=CC2=CC=C(C=C2)S(=O)(=O)NN)NC1=O","FBPZAVUNFCTVMH-TWGQIWQCSA-N","5469158",NA,"PDBC22335","683745","Present"
-"4-((1E)-2-Pyrazin-2-ylvinyl)-1,2-dimethoxybenzene","","","","","","","","","","","","","","","","","","","","4-((1E)-2-Pyrazin-2-ylvinyl)-1,2-dimethoxybenzene","","COC1=C(C=C(C=C1)C=CC2=NC=CN=C2)OC","RENMJUXISBQASN-HWKANZROSA-N","5904717",NA,"PDBC22336","176652","Present"
-"4-((1E)-3,3-Dimethyltriaz-1-en-1-yl)-1H-pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","pyrazole-3-carboxamide, 4-(3,3-dimethyl-1-triazeno)- (8ci)","","CN(C)N=NC1=C(NN=C1)C(=O)N","MGWAKKKDJQVXDN-UHFFFAOYSA-N","279946",NA,"PDBC22337","131260","Present"
-"4-((1H-Benzimidazol-2-ylthio)acetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-((1H-Benzimidazol-2-ylthio)acetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4N3","PFQPCYGHPXCKFR-UHFFFAOYSA-N","373867",NA,"PDBC22338","650830","Present"
-"4-((1H-Naphtho[2,3-d]imidazol-2-ylmethyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[(1H-naphth-[2,3-d]imidazol-2-ylmethyl)-...","","C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CNC4=CC=C(C=C4)C(=O)O","KMWYWXCIJWCOFD-UHFFFAOYSA-N","246676",NA,"PDBC22339","60043","Present"
-"4-((2,2,2-Trifluoro-1-(trifluoromethyl)-1-((3,3,3-trifluoro-2-(trifluoromethyl)propanoyl)amino)ethyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[1,1,1,3,3,3-Hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propan-2-yl]amino]benzoic acid","","C1=CC(=CC=C1C(=O)O)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","OKAMKKGFQCXYOT-UHFFFAOYSA-N","383670",NA,"PDBC22340","672088","Present"
-"4-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)morpholine","","","","","","","","","","","","","","","","","","","","4-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)morpholine","","CCCC[Sn]1(OCC(O1)CN2CCOCC2)CCCC","ZGBONOUZBPJZFF-UHFFFAOYSA-N","16683176",NA,"PDBC22341","633511","Present"
-"4-((2,3-Dimethoxy-6-quinoxalinyl)methoxy)benzoic acid","","","","","","","","","","","","","","","","","","","","4-((2,3-Dimethoxy-6-quinoxalinyl)methoxy)benzoic acid","","COC1=NC2=C(C=C(C=C2)COC3=CC=C(C=C3)C(=O)O)N=C1OC","MILBAILGYRQYOQ-UHFFFAOYSA-N","380871",NA,"PDBC22342","666614","Present"
-"4-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N,1-bis(2,4-dichlorophenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","(4Z)-N,1-Bis(2,4-dichlorophenyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]-2,5-dioxopyrrolidine-3-carboxamide","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C2C(C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=C(C=C(C=C4)Cl)Cl","DMQIPHMCLKPLMT-COEJQBHMSA-N","9569988",NA,"PDBC22343","630316","Present"
-"4-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N-(3,4-dimethylphenyl)-7,7-dimethyl-6-oxooctanamide","","","","","","","","","","","","","","","","","","","","4-(2-(2,4-dinitrophenyl)hydrazono)-N-(3,4  dimethylpheny...","","CC1=C(C=C(C=C1)NC(=O)CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C(C)(C)C)C","NIPPLOVLPVYPFT-NLRVBDNBSA-N","6150012",NA,"PDBC22344","631689","Present"
-"4-((2,4-Dichlorobenzyl)thio)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine","","","","","","","","","","","","","","","","","","","","4-((2,4-Dichlorobenzyl)thio)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine","","CC1=CC(=NC2=C1C(=NC(=N2)N)SCC3=C(C=C(C=C3)Cl)Cl)C","DKPSMHAGCCPLMX-UHFFFAOYSA-N","242225",NA,"PDBC22345","50567","Present"
-"4-((2,4-Dichlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone","","","","","","","","","","","","","","","","","","","","4-((2,4-Dichlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone","","CC1C(C(=O)ON1)N=NC2=C(C=C(C=C2)Cl)Cl","AVCZFBKFYDUHAM-UHFFFAOYSA-N","367455",NA,"PDBC22346","637183","Present"
-"4-((2,4-Dimethylanilino)acetyl)-3,4-dihydro-2(1H)-quinoxalinone","","","","","","","","","","","","","","","","","","","","4-[2-(2,4-Dimethylanilino)acetyl]-1,3-dihydroquinoxalin-2-one","","CC1=CC(=C(C=C1)NCC(=O)N2CC(=O)NC3=CC=CC=C32)C","JWJYINHAWWEPLF-UHFFFAOYSA-N","374861",NA,"PDBC22347","653321","Present"
-"4-((2,5-Dihydroxybenzyl)amino)-N,N-diisopropylbenzamide","","","","","","","","","","","","","","","","","","","","N,N-Diisopropylbenzamide, 4-[[(2,5-dihydroxyphenyl)-meth...","","CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","PDFWKEASESLRHH-UHFFFAOYSA-N","391016",NA,"PDBC22348","689431","Present"
-"4-((2,5-Dimethoxybenzyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[(2,5-dimethoxyphenyl)methyl]amino]-","","COC1=CC(=C(C=C1)OC)CNC2=CC=C(C=C2)C(=O)O","GXEGUWVLBXZOKU-UHFFFAOYSA-N","385439",NA,"PDBC22349","676622","Present"
-"4-((2,5-Dioxo-4-imidazolidinylidene)methyl)-N'-(4-methoxybenzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-((2,5-Dioxo-4-imidazolidinylidene)methyl)-N'-(4-methoxybenzylidene)benzenesulfonohydrazide","","COC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)C=C3C(=O)NC(=O)N3","DAUAXAKXSKTQFO-WJEOPBEZSA-N","9571573",NA,"PDBC22350","683748","Present"
-"4-((2,5-Dioxo-4-imidazolidinylidene)methyl)-N'-(4-methylbenzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-((2,5-Dioxo-4-imidazolidinylidene)methyl)-N'-(4-methylbenzylidene)benzenesulfonohydrazide","","CC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)C=C3C(=O)NC(=O)N3","OHKPPPYXURFUCD-WJEOPBEZSA-N","9571575",NA,"PDBC22351","683750","Present"
-"4-((2,6-Dihydroxy-7H-purin-8-yl)diazenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-((2,6-Dihydroxy-7H-purin-8-yl)diazenyl)benzenesulfonamide","","C1=CC(=CC=C1N=NC2=NC3=C(N2)C(=O)NC(=O)N3)S(=O)(=O)N","WRIWGGIOJCHIRO-UHFFFAOYSA-N","3246288",NA,"PDBC22352","77393","Present"
-"4-((2-(1-Adamantyloxy)-1-methyl-2-oxoethyl)amino)-3-amino-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-((2-(1-Adamantyloxy)-1-methyl-2-oxoethyl)amino)-3-amino-4-oxobutanoic acid","","CC(C(=O)OC12CC3CC(C1)CC(C3)C2)NC(=O)C(CC(=O)O)N","IUYZAAQRKMUTJR-UHFFFAOYSA-N","382218",NA,"PDBC22353","669675","Present"
-"4-((2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)carbonyl)-9-oxo-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","4-((2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)carbonyl)-9-oxo-9,10-dihydroacridine","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","ROHKAUFCCOHTQC-UHFFFAOYSA-N","385778",NA,"PDBC22354","677172","Present"
-"4-((2-(Acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-((2-(Acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid","","CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)C(=O)O","GWEBVBWBASDHFZ-UHFFFAOYSA-N","229459",NA,"PDBC22355","23173","Present"
-"4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","NSC135784","","C1=CC(=CC=C1NC2=NC(=NC=C2)N)S(=O)(=O)N","QOAXQANKSMHFKJ-UHFFFAOYSA-N","31036",NA,"PDBC22356","135784","Present"
-"4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione","","CC1CCCC2=C(N=C(N=C12)N)CC3CC(=O)NC(=O)C3","OIEQXIBBHRIICG-UHFFFAOYSA-N","278295",NA,"PDBC22357","127712","Present"
-"4-((2-Bromo-4-methylphenyl)diazenyl)-3,5-dimethyl-1-phenyl-1H-pyrazole","","","","","","","","","","","","","","","","","","","","4-((2-Bromo-4-methylphenyl)diazenyl)-3,5-dimethyl-1-phenyl-1H-pyrazole","","CC1=CC(=C(C=C1)N=NC2=C(N(N=C2C)C3=CC=CC=C3)C)Br","ZDMWRDQRZLBBSX-UHFFFAOYSA-N","364151",NA,"PDBC22358","629823","Present"
-"4-((2-Bromo-4-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole","","","","","","","","","","","","","","","","","","","","4-((2-Bromo-4-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole","","CC1=CC(=C(C=C1)N=NC2=C(N(N=C2C)C3=CC=CC=C3)C4=CC=CC=C4)Br","LYXHSOROIZVADN-UHFFFAOYSA-N","364152",NA,"PDBC22359","629824","Present"
-"4-((2-Bromophenyl)diazenyl)-3-methyl-5-isoxazolidinone","","","","","","","","","","","","","","","","","","","","4-((2-Bromophenyl)diazenyl)-3-methyl-5-isoxazolidinone","","CC1C(C(=O)ON1)N=NC2=CC=CC=C2Br","IWOPRWHVJRLWBC-UHFFFAOYSA-N","367463",NA,"PDBC22360","637192","Present"
-"4-((2-Chlorobenzyl)thio)-1H-imidazo[4,5-d]pyridazine-7-thiol","","","","","","","","","","","","","","","","","","","","4-((2-Chlorobenzyl)thio)-1H-imidazo[4,5-d]pyridazine-7-thiol","","C1=CC=C(C(=C1)CSC2=NNC(=S)C3=C2NC=N3)Cl","FYVMPAXUGAZBIO-UHFFFAOYSA-N","135403631",NA,"PDBC22361","62406","Present"
-"4-((2-Chlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone","","","","","","","","","","","","","","","","","","","","4-((2-Chlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone","","CC1C(C(=O)ON1)N=NC2=CC=CC=C2Cl","CLSANRCUPZHXGH-UHFFFAOYSA-N","367464",NA,"PDBC22362","637193","Present"
-"4-((2-Hydroxy-3-pyridinyl)diazenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-((2-Hydroxy-3-pyridinyl)diazenyl)benzenesulfonamide","","C1=CNC(=O)C(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N","YMXPGZWXEOXPLM-UHFFFAOYSA-N","281413",NA,"PDBC22363","134196","Present"
-"4-((2-Hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol","","","","","","","","","","","","","","","","","","","","4-((2-Hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol","","CC1=CC(=C(C=C1N=CC2=CC=CC=C2O)C(C)C)O","HYTXEOFJVZEFSX-UHFFFAOYSA-N","232780",NA,"PDBC22364","30712","Present"
-"4-((2-Hydroxypropyl)amino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","4-((2-Hydroxypropyl)amino)-1,2-naphthalenedione","","CC(CNC1=CC(=O)C(=O)C2=CC=CC=C21)O","NEAPGCVGHZAKJS-UHFFFAOYSA-N","377054",NA,"PDBC22365","658270","Present"
-"4-((2-Methyl-4-quinolinyl)amino)benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-[(2-Methylquinolin-4-yl)amino]benzenesulfonic acid","","CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)S(=O)(=O)O","BDWBGEXPAWOYGW-UHFFFAOYSA-N","388377",NA,"PDBC22366","683269","Present"
-"4-((3,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline","","","","","","","","","","","","","","","","","","","","4-((3,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline","","COC1=C(C=C2C(=C1)C(=CN=N2)SCC3=CC(=C(C=C3)Cl)Cl)OC","KYOLURBOMPBIKI-UHFFFAOYSA-N","248182",NA,"PDBC22367","64814","Present"
-"4-((3,4-Dihydroxyphenyl)diazenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(3,4-Dihydroxy-phenylazo)-benzenesulfonamide","","C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)O)S(=O)(=O)N","OVFNJGSXFVWDJP-UHFFFAOYSA-N","404196",NA,"PDBC22368","720347","Present"
-"4-((3-((3-Aminobenzoyl)amino)-4-methylbenzoyl)amino)benzylphosphonic acid","","","","","","","","","","","","","","","","","","","","4-((3-((3-Aminobenzoyl)amino)-4-methylbenzoyl)amino)benzylphosphonic acid","","CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)NC(=O)C3=CC(=CC=C3)N","WDBCDDOIZBYXJE-UHFFFAOYSA-N","388392",NA,"PDBC22369","683277","Present"
-"4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoic acid","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)O)C4=CC=CS4","KGKGVKCWIMOIFH-UHFFFAOYSA-N","384947",NA,"PDBC22370","675771","Present"
-"4-((3-(Hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-((3-(Hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide","","COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)[N+](=O)[O-]","RXMBUEYOXKGTMD-UHFFFAOYSA-N","391139",NA,"PDBC22371","689865","Present"
-"4-((3-Acetyl-2-oxotetrahydro-3-furanyl)diazenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-((3-Acetyl-2-oxotetrahydro-3-furanyl)diazenyl)benzenesulfonamide","","CC(=O)C1(CCOC1=O)N=NC2=CC=C(C=C2)S(=O)(=O)N","GSDDFQLDOSXWCA-UHFFFAOYSA-N","281344",NA,"PDBC22372","134120","Present"
-"4-((3-Chloro-2-phenyl-6-quinoxalinyl)methoxy)benzonitrile","","","","","","","","","","","","","","","","","","","","4-[(3-Chloro-2-phenylquinoxalin-6-yl)methoxy]benzonitrile","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)COC4=CC=C(C=C4)C#N)N=C2Cl","BDWONQPZEDXSSS-UHFFFAOYSA-N","392816",NA,"PDBC22373","693772","Present"
-"4-((3-Chlorobenzyl)oxy)-N-hydroxy-N-methylbenzamide","","","","","","","","","","","","","","","","","","","","4-((3-Chlorobenzyl)oxy)-N-hydroxy-N-methylbenzamide","","CN(C(=O)C1=CC=C(C=C1)OCC2=CC(=CC=C2)Cl)O","FABYPRVSADJAIE-UHFFFAOYSA-N","392395",NA,"PDBC22374","692759","Present"
-"4-((3-Chlorobenzyl)oxy)-N-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","4-((3-Chlorobenzyl)oxy)-N-hydroxybenzamide","","C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)C(=O)NO","IWGWEPJFTRRPKL-UHFFFAOYSA-N","392397",NA,"PDBC22375","692761","Present"
-"4-((3-Chlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone","","","","","","","","","","","","","","","","","","","","4-((3-Chlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone","","CC1C(C(=O)ON1)N=NC2=CC(=CC=C2)Cl","IHDMFEMOJNFNTD-UHFFFAOYSA-N","367456",NA,"PDBC22376","637184","Present"
-"4-((3-Chlorophenylimino)methyl)-N, hydrochloride","","","","","","","","","","","","","","","","","","","","4-((3-chlorophenylimino)methyl)-N,N-bis-(3-chloropropyl)...","","CC1=C(C=CC(=C1)N(CCCCl)CCCCl)C=NC2=CC(=CC=C2)Cl.Cl","SQBYINFHSFGZQP-UHFFFAOYSA-N","24193640",NA,"PDBC22377","154896","Present"
-"4-((3-Hydrazino-3-oxopropanoyl)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-((3-Hydrazino-3-oxopropanoyl)amino)benzoic acid","","C1=CC(=CC=C1C(=O)O)NC(=O)CC(=O)NN","PWNDVCGSRGYOLJ-UHFFFAOYSA-N","385917",NA,"PDBC22378","677379","Present"
-"4-((3-Hydroxy-2-pyridinyl)diazenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-((3-Hydroxy-2-pyridinyl)diazenyl)benzenesulfonamide","","C1=CC(=C(N=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N)O","NXIPTBOTZGWDOZ-UHFFFAOYSA-N","281366",NA,"PDBC22379","134149","Present"
-"4-((3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoic acid","","","","","","","","","","","","","","","","","","","","4-((3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoic acid","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)C(=O)O","BLQPLDUJPUDTFQ-UHFFFAOYSA-N","387370",NA,"PDBC22380","681122","Present"
-"4-((3-Quinolinylmethyl)amino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-((3-Quinolinylmethyl)amino)benzenesulfonamide","","C1=CC=C2C(=C1)C=C(C=N2)CNC3=CC=C(C=C3)S(=O)(=O)N","QOKXTFFZAZKIAD-UHFFFAOYSA-N","182334",NA,"PDBC22381","299209","Present"
-"4-((4,5-Dihydroxy-8-(hydroxy(oxido)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)-N,N-dimethylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(4,5-Dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]-N,N-dimethylbenzenesulfonamide","","CN(C)S(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O","BBBZZDRRJUPEIV-UHFFFAOYSA-N","3246414",NA,"PDBC22382","117949","Present"
-"4-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, N-[4-[[(4-carboxypheny)imino]methyl]...","","CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=NC3=CC=C(C=C3)C(=O)O","AAFNJGNFRKFZGE-UHFFFAOYSA-N","369351",NA,"PDBC22383","641106","Present"
-"4-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)benzylidene)amino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)benzylidene)amino)benzoic acid","","C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)O","VERQGKLAGGRWOM-UHFFFAOYSA-N","372594",NA,"PDBC22384","647955","Present"
-"4-((4-(Aminocarbonyl)benzoyl)amino)phenylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-12666","","C1=CC(=CC=C1C(=O)N)C(=O)NC2=CC=C(C=C2)[As](=O)(O)O","HYSIWANWWUGRIT-UHFFFAOYSA-N","224295",NA,"PDBC22385","12666","Present"
-"4-((4-(Aminosulfonyl)phenyl)diazenyl)-3-hydroxy-2-naphthoic acid","","","","","","","","","","","","","","","","","","","","2-Naphthoic acid, 3-hydroxy-4-[(p-sulfamoylphenyl)azo]-","","C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)C(=O)O","NBQJKNSAKITVLO-UHFFFAOYSA-N","281355",NA,"PDBC22386","134137","Present"
-"4-((4-(Bis(2-cyanoethyl)amino)(5-bromo-2-hydroxybenzoyl)-2-methoxybenzohydrazonoyl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[(Z)-C-[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-N-[(5-bromo-2-hydroxybenzoyl)amino]carbonimidoyl]diazenyl]benzoic acid","","COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Br)O)N=NC3=CC=C(C=C3)C(=O)O","VPWRLQMFARGJGI-FMNFIABWSA-N","135493976",NA,"PDBC22387","685924","Present"
-"4-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)diazenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","p-Sulphoamido-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) ...","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)S(=O)(=O)N","FTAOJLOEGLMPDI-UHFFFAOYSA-N","365298",NA,"PDBC22388","632849","Present"
-"4-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)diazenyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-Carboxy-(2'-methyl-4'N,N-bis-2'-cyanoethylamino)azoben...","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)C(=O)O","CWLNIMBEUSXFMH-UHFFFAOYSA-N","365293",NA,"PDBC22389","632844","Present"
-"4-((4-Amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-6-(2-chlorophenyl)-N-(4-methoxyphenyl)-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","(4E)-4-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]-6-(2-chlorophenyl)-N-(4-methoxyphenyl)-6-oxohexanamide","","CC1=NN=C(N1N)NN=C(CCC(=O)NC2=CC=C(C=C2)OC)CC(=O)C3=CC=CC=C3Cl","FNEHDOOYTYSNPD-JVWAILMASA-N","6057490",NA,"PDBC22390","631686","Present"
-"4-((4-Amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-N-(2,4-dichlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","(4E)-4-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]-N-(2,4-dichlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide","","CC1=NN=C(N1N)NN=C(CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)CC(=O)C3=CC(=C(C=C3)O)OC","LDSAQOQBACXQAQ-RWPZCVJISA-N","6286846",NA,"PDBC22391","630302","Present"
-"4-((4-Amino-6-hydroxy-2-mercapto-5-pyrimidinyl)diazenyl)-3,5-dibromobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-((4-Amino-6-hydroxy-2-mercapto-5-pyrimidinyl)diazenyl)-3,5-dibromobenzenesulfonamide","","C1=C(C=C(C(=C1Br)N=NC2=C(NC(=S)NC2=O)N)Br)S(=O)(=O)N","UHWWJOWAVGOCRB-UHFFFAOYSA-N","3246398",NA,"PDBC22392","114359","Present"
-"4-((4-Bromo-2-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole","","","","","","","","","","","","","","","","","","","","4-((4-Bromo-2-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole","","CC1=C(C=CC(=C1)Br)N=NC2=C(N(N=C2C)C3=CC=CC=C3)C4=CC=CC=C4","IVGFWIIFCPOGME-UHFFFAOYSA-N","364149",NA,"PDBC22393","629821","Present"
-"4-((4-Bromo-2-methylphenyl)diazenyl)-3-phenyl-5(4H)-isoxazolone","","","","","","","","","","","","","","","","","","","","4-((4-Bromo-2-methylphenyl)diazenyl)-3-phenyl-5(4H)-isoxazolone","","CC1=C(C=CC(=C1)Br)N=NC2C(=NOC2=O)C3=CC=CC=C3","MOCJTSKVZMZMJA-UHFFFAOYSA-N","364154",NA,"PDBC22394","629826","Present"
-"4-((4-Bromo-2-methylphenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-((4-Bromo-2-methylphenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","CC1=C(C=CC(=C1)Br)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C","GSDKTCSKXQROLH-UHFFFAOYSA-N","364153",NA,"PDBC22395","629825","Present"
-"4-((4-Bromo-3-methylphenyl)diazenyl)-3-methyl-5(4H)-isoxazolone","","","","","","","","","","","","","","","","","","","","4-((4-Bromo-3-methylphenyl)diazenyl)-3-methyl-5(4H)-isoxazolone","","CC1=C(C=CC(=C1)N=NC2C(=NOC2=O)C)Br","KMLTVXVRZISDRD-UHFFFAOYSA-N","364156",NA,"PDBC22396","629828","Present"
-"4-((4-Bromo-3-methylphenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-((4-Bromo-3-methylphenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","CC1=C(C=CC(=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C)Br","DUABPBDFSQYQAF-UHFFFAOYSA-N","364155",NA,"PDBC22397","629827","Present"
-"4-((4-Hydroxy-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-(8-hydroxy-1-oxo-tetralin-5-yl)oxy-4-oxo-butanoic acid","","C1CC2=C(C=CC(=C2C(=O)C1)O)OC(=O)CCC(=O)O","UQLBWCXNGFQJRR-UHFFFAOYSA-N","357436",NA,"PDBC22398","616264","Present"
-"4-((4-Hydroxyphenyl)diazenyl)phenylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-12650","","C1=CC(=CC=C1N=NC2=CC=C(C=C2)[As](=O)(O)O)O","DJCIIHFJCDJYHI-UHFFFAOYSA-N","224279",NA,"PDBC22399","12650","Present"
-"4-((4-Nitrophenyl)amino)naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","NSC117017","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)[N+](=O)[O-]","WLVJOAGYONSXGC-UHFFFAOYSA-N","272561",NA,"PDBC22400","117017","Present"
-"4-((5-Methyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","4-((5-Methyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-2,6-piperidinedione","","CC1CCC2=C(C1)C(=NN2C3=CC=CC=C3)CC4CC(=O)NC(=O)C4","PMXKFZZRRJFOJT-UHFFFAOYSA-N","278296",NA,"PDBC22401","127713","Present"
-"4-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-2-methoxyphenol","","","","","","","","","","","","","","","","","","","","4-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-2-methoxyphenol","","CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)OC)OC)OC","SSBPHQDXIDTEDU-UHFFFAOYSA-N","371188",NA,"PDBC22402","645242","Present"
-"4-((6-(Hydroxy(oxido)amino)-2-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-((6-(Hydroxy(oxido)amino)-2-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide","","COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5","KYEJPEAMBFHDNY-UHFFFAOYSA-N","391144",NA,"PDBC22403","689870","Present"
-"4-((6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)diazenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, p-[(6-amino-1,2,3,4-tetrahydro-1,3-d...","","CN1C(=C(C(=O)N(C1=O)C)N=NC2=CC=C(C=C2)S(=O)(=O)N)N","DXHQOEXYYLJONN-UHFFFAOYSA-N","271063",NA,"PDBC22404","114449","Present"
-"4-((6-Chloro-2-methoxy-9-acridinyl)thio)aniline","","","","","","","","","","","","","","","","","","","","4-((6-Chloro-2-methoxy-9-acridinyl)thio)aniline","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)SC4=CC=C(C=C4)N","DKBCHQPZEVLSDX-UHFFFAOYSA-N","371143",NA,"PDBC22405","645147","Present"
-"4-((6-Chloro-9H-purin-2-yl)amino)phenol","","","","","","","","","","","","","","","","","","","","4-((6-Chloro-9H-purin-2-yl)amino)phenol","","C1=CC(=CC=C1NC2=NC3=C(C(=N2)Cl)NC=N3)O","YKZJRZHFOPGGBJ-UHFFFAOYSA-N","5466205",NA,"PDBC22406","681688","Present"
-"4-((6-Hydroxy-9H-purin-2-yl)amino)benzonitrile","","","","","","","","","","","","","","","","","","","","4-((6-Hydroxy-9H-purin-2-yl)amino)benzonitrile","","C1=CC(=CC=C1C#N)NC2=NC3=C(C(=O)N2)NC=N3","OKQIYMUIKADXMC-UHFFFAOYSA-N","135440028",NA,"PDBC22407","685823","Present"
-"4-((6-Mercapto-9H-purin-8-yl)diazenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, 4-[(6,7-dihydro-6-thioxo-1H-purin-8-...","","C1=CC(=CC=C1N=NC2=NC3=C(N2)C(=S)N=CN3)S(=O)(=O)N","KECAPWAPGSULDL-UHFFFAOYSA-N","3246283",NA,"PDBC22408","75140","Present"
-"4-((7-Methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","4-((7-Methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-2,6-piperidinedione","","CC1CCCC2=C(NN=C12)CC3CC(=O)NC(=O)C3","PRPVPBHBDREMBJ-UHFFFAOYSA-N","359834",NA,"PDBC22409","621401","Present"
-"4-((9H-Purin-6-ylthio)methyl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-((9H-Purin-6-ylthio)methyl)benzonitrile","","C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)C#N","OBWUGPIEJGQXCJ-UHFFFAOYSA-N","386903",NA,"PDBC22410","679803","Present"
-"4-((Acetyloxy)amino)-2,2,6,6-tetramethyl-3,5-heptanedione","","","","","","","","","","","","","","","","","","","","4-((Acetyloxy)amino)-2,2,6,6-tetramethyl-3,5-heptanedione","","CC(=O)ONC(C(=O)C(C)(C)C)C(=O)C(C)(C)C","ZSADFVGZRUFVLY-UHFFFAOYSA-N","389080",NA,"PDBC22411","684730","Present"
-"4-((Amino(oxo)acetyl)hydrazono)-N-(2,4-dichlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","4-((Amino(oxo)acetyl)hydrazono)-N-(2,4-dichlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide","","COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)C(=O)N)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)O","OGKLSMDPWRITTR-LGJNPRDNSA-N","9569989",NA,"PDBC22412","630317","Present"
-"4-((Amino(oxo)acetyl)hydrazono)-N-(4-methoxyphenyl)-7,7-dimethyl-6-oxooctanamide","","","","","","","","","","","","","","","","","","","","4-((Amino(oxo)acetyl)hydrazono)-N-(4-methoxyphenyl)-7,7-dimethyl-6-oxooctanamide","","CC(C)(C)C(=O)CC(=NNC(=O)C(=O)N)CCC(=O)NC1=CC=C(C=C1)OC","GXWHSIVQDVLJBX-LPYMAVHISA-N","6516389",NA,"PDBC22413","631685","Present"
-"4-((Aminocarbonyl)amino)-N-(3-((4-((aminocarbonyl)amino)benzoyl)amino)propyl)benzamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbonyl)amino)-N-(3-((4-((aminocarbonyl)amino)benzoyl)amino)propyl)benzamide","","C1=CC(=CC=C1C(=O)NCCCNC(=O)C2=CC=C(C=C2)NC(=O)N)NC(=O)N","VOGYMQPVCNMMCH-UHFFFAOYSA-N","387005",NA,"PDBC22414","680318","Present"
-"4-((Aminocarbonyl)hydrazono)-N,1-bis(2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbonyl)hydrazono)-N,1-bis(2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","CC1=CC=CC=C1NC(=O)C2C(=NNC(=O)N)C(=O)N(C2=O)C3=CC=CC=C3C","WUXOSWOZTOAZIG-KQWNVCNZSA-N","9569997",NA,"PDBC22415","630903","Present"
-"4-((Aminocarbonyl)hydrazono)-N,1-bis(3,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbonyl)hydrazono)-N,1-bis(3,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","CC1=C(C=C(C=C1)NC(=O)C2C(=NNC(=O)N)C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)C","ZWWXPVJTVNPBJW-BWAHOGKJSA-N","9569909",NA,"PDBC22416","623896","Present"
-"4-((Aminocarbonyl)hydrazono)-N,1-bis(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbonyl)hydrazono)-N,1-bis(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","COC1=CC=C(C=C1)NC(=O)C2C(=NNC(=O)N)C(=O)N(C2=O)C3=CC=C(C=C3)OC","JIGGDPJDKJWVBD-KQWNVCNZSA-N","5930570",NA,"PDBC22417","630914","Present"
-"4-((Aminocarbonyl)hydrazono)-N,N-dibenzyl-6-(4-fluorophenyl)-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbonyl)hydrazono)-N,N-dibenzyl-6-(4-fluorophenyl)-6-oxohexanamide","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=NNC(=O)N)CC(=O)C3=CC=C(C=C3)F","KSMKNULLWPJLSH-BGABXYSRSA-N","6063666",NA,"PDBC22418","631678","Present"
-"4-((Aminocarbonyl)hydrazono)-N,N-dibenzyl-6-oxododecanamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbonyl)hydrazono)-N,N-dibenzyl-6-oxododecanamide","","CCCCCCC(=O)CC(=NNC(=O)N)CCC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2","VLDFLGIQZPTSMN-OLFWJLLRSA-N","5853060",NA,"PDBC22419","630359","Present"
-"4-((Aminocarbothioyl)hydrazono)-2,5-dioxo-N,1-bis(2-phenylethyl)-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbothioyl)hydrazono)-2,5-dioxo-N,1-bis(2-phenylethyl)-3-pyrrolidinecarboxamide","","C1=CC=C(C=C1)CCNC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)CCC3=CC=CC=C3","OLWWNXZUDMFEQE-BWAHOGKJSA-N","5902478",NA,"PDBC22420","630909","Present"
-"4-((Aminocarbothioyl)hydrazono)-6-(2-furyl)-N-(2-(hydroxy(oxido)amino)phenyl)-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbothioyl)hydrazono)-6-(2-furyl)-N-(2-(hydroxy(oxido)amino)phenyl)-6-oxohexanamide","","C1=CC=C(C(=C1)NC(=O)CCC(=NNC(=S)N)CC(=O)C2=CC=CO2)[N+](=O)[O-]","BZTJGALBCUPEED-RGVLZGJSSA-N","9569982",NA,"PDBC22421","630305","Present"
-"4-((Aminocarbothioyl)hydrazono)-N,1-bis(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbothioyl)hydrazono)-N,1-bis(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","CC1=C(C(=CC=C1)C)NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=C(C=CC=C3C)C","IGFALKNNOCNHBX-UQQQWYQISA-N","5903903",NA,"PDBC22422","630895","Present"
-"4-((Aminocarbothioyl)hydrazono)-N,1-bis(3-(hydroxy(oxido)amino)phenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","(4Z)-4-[(Aminocarbothioyl)hydrazono]-N,1-bis(3-nitrophenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]","YIHDQTGXWLBMOO-STZFKDTASA-N","9569905",NA,"PDBC22423","623868","Present"
-"4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C","MBJQXDBYLCCINT-XYGWBWBKSA-N","9569995",NA,"PDBC22424","630901","Present"
-"4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","CC1=CC=C(C=C1)NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=CC=C(C=C3)C","DBNCGPLWFGPRTN-KQWNVCNZSA-N","5883893",NA,"PDBC22425","630906","Present"
-"4-((Aminocarbothioyl)hydrazono)-N-(2,4-bis(hydroxy(oxido)amino)phenyl)-4H-chromene-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-((Aminocarbothioyl)hydrazono)-N-(2,4-bis(hydroxy(oxido)amino)phenyl)-4H-chromene-2-carboxamide","","C1=CC=C2C(=C1)C(=NNC(=S)N)C=C(O2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","IGLKURBYXLZBCL-UDWIEESQSA-N","9554733",NA,"PDBC22426","649809","Present"
-"4-((Benzylamino)methyl)benzoic acid","","","","","","","","","","","","","","","","","","","","ChemDiv2_003026","","C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C(=O)O","XRCNKDDGDMDMDE-UHFFFAOYSA-N","275548",NA,"PDBC22427","122451","Present"
-"4-((Diethoxyphosphoryl)amino)-1,1'-biphenyl","","","","","","","","","","","","","","","","","","","","4-((Diethoxyphosphoryl)amino)-1,1'-biphenyl","","CCOP(=O)(NC1=CC=C(C=C1)C2=CC=CC=C2)OCC","OAEVRKKYFIHSQK-UHFFFAOYSA-N","392913",NA,"PDBC22428","694096","Present"
-"4-((Diisopropylamino)carbonyl)-1-cubanecarboxylic acid","","","","","","","","","","","","","","","","","","","","4-((Diisopropylamino)carbonyl)-1-cubanecarboxylic acid","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)O","NVFUHHQMNIDEPB-UHFFFAOYSA-N","369201",NA,"PDBC22429","640907","Present"
-"4-((Diisopropylamino)carbonyl)-6-iodo-1,3-cubanedicarboxylic acid","","","","","","","","","","","","","","","","","","","","4-((Diisopropylamino)carbonyl)-6-iodo-1,3-cubanedicarboxylic acid","","CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C2C3(C45C(=O)O)I)C(=O)O","ROJQONFGDNYZSI-UHFFFAOYSA-N","369206",NA,"PDBC22430","640912","Present"
-"4-(1,1-Dimethyl-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazol-4(5H)-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(1,1-Dimethyl-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazol-4(5H)-yl)benzenesulfonamide","","CC1(C2=NC3=CC=CC=C3N2CN(CO1)C4=CC=C(C=C4)S(=O)(=O)N)C","WJILRHLBHDDLRJ-UHFFFAOYSA-N","374206",NA,"PDBC22431","651696","Present"
-"4-(1,2,3,4-Tetrahydrobenzo[a]phenanthridin-5-yl)benzene-1,3-diol","","","","","","","","","","","","","","","","","","","","4-(1,2,3,4-Tetrahydrobenzo[a]phenanthridin-5-yl)benzene-1,3-diol","","C1CCC2=C(C1)C3=C(C=CC4=CC=CC=C43)N=C2C5=C(C=C(C=C5)O)O","YAXPLWTXMPAXSU-UHFFFAOYSA-N","394740",NA,"PDBC22432","698408","Present"
-"4-(1,2,3,4-Tetrahydroxybutyl)piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","NSC677665///NSC677668","","C1C(CC(=O)NC1=O)C(C(C(CO)O)O)O","QXECCEVHROGAOH-UHFFFAOYSA-N","386080",NA,"PDBC22433","677665///677668","Present"
-"4-(1,2,3,4-Tetrakis(benzyloxy)butyl)-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","NSC677664///NSC677667","","C1C(CC(=O)NC1=O)C(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","ZVKXMOKDCZLKIW-UHFFFAOYSA-N","386079",NA,"PDBC22434","677664///677667","Present"
-"4-(1,2-Bis(benzyloxy)ethyl)-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","4-(1,2-Bis(benzyloxy)ethyl)-2,6-piperidinedione","","C1C(CC(=O)NC1=O)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3","GNUPHLQTBKINMV-UHFFFAOYSA-N","386088",NA,"PDBC22435","677678","Present"
-"4-(1,2-Dihydroxyethyl)-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","4-(1,2-Dihydroxyethyl)-2,6-piperidinedione","","C1C(CC(=O)NC1=O)C(CO)O","JIYCVPXSPSMQIH-UHFFFAOYSA-N","386089",NA,"PDBC22436","677679","Present"
-"4-(1,3-Benzodioxol-4-yl)-2-methyl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-4-yl)-2-methyl-2,3-dihydro-1,5-benzothiazepine","","CC1CC(=NC2=CC=CC=C2S1)C3=C4C(=CC=C3)OCO4","SPSVYADIXWPJQH-UHFFFAOYSA-N","367035",NA,"PDBC22437","636363","Present"
-"4-(1,3-Benzodioxol-4-yl)-N~3~,N~5~-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-4-yl)-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=C4C(=CC=C3)OCO4)C(=O)NC5=CC=CC=C5OC","DAHDJDTZQFRJDS-UHFFFAOYSA-N","361063",NA,"PDBC22438","623867","Present"
-"4-(1,3-Benzodioxol-5-yl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-yl)-2,6-dimethyl-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC(=C(C=C5F)F)F","WOIGHCNENHPUER-UHFFFAOYSA-N","367673",NA,"PDBC22439","637604","Present"
-"4-(1,3-Benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one","","","","","","","","","","","","","","","","","","","","Pyrano[3,2-c]benzopyran-5-one, 4-(1,3-benzodioxol-5-yl)-...","","COC1=C(C=C(C=C1)C2=CC(C3=C(O2)C4=CC=CC=C4OC3=O)C5=CC6=C(C=C5)OCO6)OC","YVZUMPZSJNLBMY-UHFFFAOYSA-N","309279",NA,"PDBC22440","211488","Present"
-"4-(1,3-Benzodioxol-5-yl)-5-(3,5-dimethoxyphenyl)-2H-triazole","","","","","","","","","","","","","","","","","","","","5-(benzo[d][1,3]dioxol-5-yl)-4-(3,5-dimethoxyphenyl)-1H-...","","COC1=CC(=CC(=C1)C2=NNN=C2C3=CC4=C(C=C3)OCO4)OC","SZDNLNLPYHUBIA-UHFFFAOYSA-N","155816235",NA,"PDBC22441","777408","Present"
-"4-(1,3-Benzodioxol-5-yl)-6-hydroxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-5-yl hexopyranoside","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-yl)-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one","","C1C2=C(C=C3C=CC(=C(C3=C2C4=CC5=C(C=C4)OCO5)OC6C(C(C(C(O6)CO)O)O)O)O)C(=O)O1","TXLXNBLWYBIYQL-UHFFFAOYSA-N","370651",NA,"PDBC22442","644013","Present"
-"4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2,6-diethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2,6-diethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C=CC=C5CC)CC)C)C","ZVVOMBAWANTFHC-UHFFFAOYSA-N","372009",NA,"PDBC22443","646825","Present"
-"4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(=CC=C1)C)NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C=CC=C5C)C)C)C","ACLQWAPBMCOWMS-UHFFFAOYSA-N","367776",NA,"PDBC22444","637715","Present"
-"4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CCOC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5OCC)C)C","YHRFWPISEBHJLT-UHFFFAOYSA-N","367763",NA,"PDBC22445","637702","Present"
-"4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2-ethyl-6-methylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2-ethyl-6-methylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CCC1=CC=CC(=C1NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C=CC=C5CC)C)C)C)C","YCFNALFLPPVSKS-UHFFFAOYSA-N","367762",NA,"PDBC22446","637701","Present"
-"4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CCC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5CC)C)C","PYIDXOJZIRQMOO-UHFFFAOYSA-N","367766",NA,"PDBC22447","637705","Present"
-"4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-yl)-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]","AQIIQIGWKQCXPC-UHFFFAOYSA-N","367683",NA,"PDBC22448","637614","Present"
-"4-(1,3-Benzodioxol-5-yl)-N~3~-(2,6-diethylphenyl)-N~5~-(2-ethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-yl)-5-N-(2,6-diethylphenyl)-3-N-(2-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5CC)C)C","BBNDTSBCYPKNGP-UHFFFAOYSA-N","367739",NA,"PDBC22449","637678","Present"
-"4-(1,3-Benzodioxol-5-ylmethyl)-8,9-dimethoxy-3,4,5,6-tetrahydro-1H-1,3-benzodiazocin-2-one","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-ylmethyl)-8,9-dimethoxy-3,4,5,6-tetrahydro-1,3-benzodiazocin-2(1H)-one","","COC1=C(C=C2C(=C1)CCC(NC(=O)N2)CC3=CC4=C(C=C3)OCO4)OC","OOBVCCSFJPUKSE-UHFFFAOYSA-N","360770",NA,"PDBC22450","623110","Present"
-"4-(1,3-Benzodioxol-5-ylmethylene)-3-methyl-5(4H)-isoxazolone","","","","","","","","","","","","","","","","","","","","(4E)-4-(1,3-Benzodioxol-5-ylmethylidene)-3-methyl-1,2-oxazol-5-one","","CC1=NOC(=O)C1=CC2=CC3=C(C=C2)OCO3","YQZOINRTUOVWGH-RUDMXATFSA-N","5386665",NA,"PDBC22451","615466","Present"
-"4-(1,3-Benzodithiol-2-ylidenemethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodithiol-2-ylidenemethyl)benzoic acid","","C1=CC=C2C(=C1)SC(=CC3=CC=C(C=C3)C(=O)O)S2","RZHSJZDDOFIDIO-UHFFFAOYSA-N","400747",NA,"PDBC22452","713178","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(1,3-thiazol-2-yl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(1,3-thiazol-2-yl)-2,3,5,6-piperidinetetrone","","C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=NC=CS4","WSYITPUNIHLFQR-UHFFFAOYSA-N","366747",NA,"PDBC22453","635520","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(2,3-dimethylphenyl)piperidine-2,3,5,6-tetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(2,3-dimethylphenyl)piperidine-2,3,5,6-tetrone","","CC1=C(C(=CC=C1)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C","KCNWPFOQXJHXCB-UHFFFAOYSA-N","361038",NA,"PDBC22454","623772","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(2,4-dichlorophenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(2,4-dichlorophenyl)-2,3,5,6-piperidinetetrone","","C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=C(C=C(C=C4)Cl)Cl","QILGRYDPBBVBBE-UHFFFAOYSA-N","366304",NA,"PDBC22455","634655","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(2,5-dichlorophenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(2,5-dichlorophenyl)-2,3,5,6-piperidinetetrone","","C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=C(C=CC(=C4)Cl)Cl","KHXZVJWAOMUUOB-UHFFFAOYSA-N","361015",NA,"PDBC22456","623748","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,3,5,6-piperidinetetrone","","CC1=CC(=C(C=C1)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","MWSIVQBLCOWEOC-UHFFFAOYSA-N","361025",NA,"PDBC22457","623759","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone","","CCOC1=CC=CC=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","ZDAVAGZRRLLSDO-UHFFFAOYSA-N","366751",NA,"PDBC22458","635524","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetrone","","CCC1=C(C(=CC=C1)C(C)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","OLBXECVLIXZXID-UHFFFAOYSA-N","366522",NA,"PDBC22459","635131","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(2-ethylphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(2-ethylphenyl)-2,3,5,6-piperidinetetrone","","CCC1=CC=CC=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","DLUJLCBEMVKWMB-UHFFFAOYSA-N","366181",NA,"PDBC22460","634508","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-piperidinetetrone","","C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl","XNYJESMBSPZZFV-UHFFFAOYSA-N","361036",NA,"PDBC22461","623770","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(3-(trifluoromethyl)phenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(3-(trifluoromethyl)phenyl)-2,3,5,6-piperidinetetrone","","C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC=CC(=C4)C(F)(F)F","JVKDNDNHACUQKN-UHFFFAOYSA-N","366752",NA,"PDBC22462","635525","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(4-chloro-2-methylphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(4-chloro-2-methylphenyl)-2,3,5,6-piperidinetetrone","","CC1=C(C=CC(=C1)Cl)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","NFHFVACPBITHHZ-UHFFFAOYSA-N","362276",NA,"PDBC22463","625887","Present"
-"4-(1,3-Benzothiazol-2-yl)-1-(4-chlorophenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-1-(4-chlorophenyl)-2,3,5,6-piperidinetetrone","","C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl","IIKGBNWTZMYMJH-UHFFFAOYSA-N","364764",NA,"PDBC22464","631523","Present"
-"4-(1,3-Benzothiazol-2-yl)-2,6-dibromoaniline","","","","","","","","","","","","","","","","","","","","BB 0245173","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C(=C3)Br)N)Br","VMSOXDDOLAQINC-UHFFFAOYSA-N","391872",NA,"PDBC22465","691535","Present"
-"4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline","","","","","","","","","","","","","","","","","","","","ARK100995","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C(=C3)Cl)N)Cl","JGBRZSNXLUIGLP-UHFFFAOYSA-N","391873",NA,"PDBC22466","691536","Present"
-"4-(1,3-Benzothiazol-2-yl)-2-(trifluoromethyl)aniline","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-2-(trifluoromethyl)aniline","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)C(F)(F)F","XBBAAIZHMCJPHP-UHFFFAOYSA-N","402861",NA,"PDBC22467","717146","Present"
-"4-(1,3-Benzothiazol-2-yl)-2-chloroaniline","","","","","","","","","","","","","","","","","","","","2-(4-amino-3-chlorophenyl)benzothiazole","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)Cl","VMHNOJKXMWYAGM-UHFFFAOYSA-N","387950",NA,"PDBC22468","682303","Present"
-"4-(1,3-Benzothiazol-2-yl)-2-methylaniline","","","","","","","","","","","","","","","","","","","","BENZOTHIAZOLE","","CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N","IDBCUMFOZBUJCL-UHFFFAOYSA-N","384525",NA,"PDBC22469","674495","Present"
-"4-(1,3-Benzothiazol-2-yl)-3-oxo-6-(4-sulfophenyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-ene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-(1,3-benzothiazol-2-yl)-3-oxo-6-(4-sulfophenyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-ene-8-carboxylic acid","","C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)S(=O)(=O)O)C(=O)O","QMSSWEIIVHQALA-UHFFFAOYSA-N","397252",NA,"PDBC22470","704669","Present"
-"4-(1,3-Benzothiazol-2-yl)-6-(2-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-6-(2-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5Cl","GHEXTNZLHBOGSS-UHFFFAOYSA-N","397249",NA,"PDBC22471","704666","Present"
-"4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)Cl","PQVPWQTUNDHUAD-UHFFFAOYSA-N","397250",NA,"PDBC22472","704667","Present"
-"4-(1,3-Benzothiazol-2-yl)-8-methyl-6-(4-methylphenyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)-8-methyl-6-(p-tolyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one","","CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)C","VYYKFCUKEMHPFX-UHFFFAOYSA-N","397253",NA,"PDBC22473","704670","Present"
-"4-(1,3-Benzothiazol-2-yl)aniline","","","","","","","","","","","","","","","","","","","","TimTec1_000954","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N","WKRCOZSCENDENK-UHFFFAOYSA-N","234475",NA,"PDBC22474","34445","Present"
-"4-(1,3-Benzothiazol-2-yl)phenol","","","","","","","","","","","","","","","","","","","","NCIMech_000238","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)O","ODMDLCWSMSFWCW-UHFFFAOYSA-N","95745",NA,"PDBC22475","33004","Present"
-"4-(1,3-Benzothiazol-2-yl)piperidine-2,3,5,6-tetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yl)piperidine-2,3,5,6-tetrone","","C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)NC(=O)C3=O","XEOMWIVBLKERNQ-UHFFFAOYSA-N","360722",NA,"PDBC22476","623058","Present"
-"4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylnaphthalene-1,3-diol","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylnaphthalene-1,3-diol","","CC1=C(C2=CC=CC=C2C(=C1O)N=NC3=NC4=CC=CC=C4S3)O","RFOBGRDBELPUSF-UHFFFAOYSA-N","135436607",NA,"PDBC22477","730197","Present"
-"4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylsulfanylnaphthalen-1-ol","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylsulfanylnaphthalen-1-ol","","CSC1=C(C2=CC=CC=C2C(=C1)N=NC3=NC4=CC=CC=C4S3)O","AUHWBKSPRBPAEV-UHFFFAOYSA-N","135585470",NA,"PDBC22478","730199","Present"
-"4-(1,3-Benzothiazol-2-yloxy)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzothiazol-2-yloxy)benzoic acid","","C1=CC=C2C(=C1)N=C(S2)OC3=CC=C(C=C3)C(=O)O","OSAFDKPQNFIGBA-UHFFFAOYSA-N","275466",NA,"PDBC22479","122335","Present"
-"4-(1,3-Benzothiazol-2-ylsulfanyl)butanoic acid","","","","","","","","","","","","","","","","","","","","TimTec1_001860","","C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)O","VLBFSFGWNXSNRM-UHFFFAOYSA-N","294538",NA,"PDBC22480","163173","Present"
-"4-(1,3-Benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-2,3,5,6-piperidinetetrone","","C1=CC=C2C(=C1)N=C(O2)C3C(=O)C(=O)N(C(=O)C3=O)C4=C(C=C(C=C4)Cl)Cl","KUNFRYCDABUTIQ-UHFFFAOYSA-N","362280",NA,"PDBC22481","625891","Present"
-"4-(1,3-Benzoxazol-2-yl)-1-(2,5-dichlorophenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-1-(2,5-dichlorophenyl)-2,3,5,6-piperidinetetrone","","C1=CC=C2C(=C1)N=C(O2)C3C(=O)C(=O)N(C(=O)C3=O)C4=C(C=CC(=C4)Cl)Cl","SZBGNWSZCSGGCD-UHFFFAOYSA-N","366516",NA,"PDBC22482","635125","Present"
-"4-(1,3-Benzoxazol-2-yl)-1-(2,5-dimethylphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-1-(2,5-dimethylphenyl)-2,3,5,6-piperidinetetrone","","CC1=CC(=C(C=C1)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","VOJIXMPUEWRUGI-UHFFFAOYSA-N","360724",NA,"PDBC22483","623060","Present"
-"4-(1,3-Benzoxazol-2-yl)-1-(2,6-diisopropylphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-1-(2,6-diisopropylphenyl)-2,3,5,6-piperidinetetrone","","CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","DYZHWMSSVRCWIL-UHFFFAOYSA-N","360995",NA,"PDBC22484","623727","Present"
-"4-(1,3-Benzoxazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone","","CCOC1=CC=CC=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","HWWBJNVQKDVLJL-UHFFFAOYSA-N","361037",NA,"PDBC22485","623771","Present"
-"4-(1,3-Benzoxazol-2-yl)-1-(2-ethyl-6-methylphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-1-(2-ethyl-6-methylphenyl)-2,3,5,6-piperidinetetrone","","CCC1=CC=CC(=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3)C","SQNGJEJAKFTHFJ-UHFFFAOYSA-N","362281",NA,"PDBC22486","625892","Present"
-"4-(1,3-Benzoxazol-2-yl)-1-(2-isopropyl-6-methylphenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-1-(2-isopropyl-6-methylphenyl)-2,3,5,6-piperidinetetrone","","CC1=C(C(=CC=C1)C(C)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","CHWGSGKWIWQWDK-UHFFFAOYSA-N","367745",NA,"PDBC22487","637684","Present"
-"4-(1,3-Benzoxazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-piperidinetetrone","","C1=CC=C2C(=C1)N=C(O2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl","NABKWJZFWVKHJX-UHFFFAOYSA-N","360700",NA,"PDBC22488","623036","Present"
-"4-(1,3-Benzoxazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-tetraoxo-4-piperidinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-tetraoxo-4-piperidinecarbonitrile","","C1=CC=C2C(=C1)N=C(O2)C3(C(=O)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl)C#N","ZRCMNVCWZMGSFP-UHFFFAOYSA-N","366642",NA,"PDBC22489","635317","Present"
-"4-(1,3-Benzoxazol-2-yl)-1-(4-chlorophenyl)-2,3,5,6-piperidinetetrone","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-1-(4-chlorophenyl)-2,3,5,6-piperidinetetrone","","C1=CC=C2C(=C1)N=C(O2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl","PNDPTEHDMOMJMM-UHFFFAOYSA-N","361026",NA,"PDBC22490","623760","Present"
-"4-(1,3-Benzoxazol-2-yl)-N-[(Z)-pyridin-2-yldiazenyl]aniline","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzoxazol-2-yl)-N-[(Z)-pyridin-2-yldiazenyl]aniline","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NN=NC4=CC=CC=N4","OAZAHICFRLZOFC-UHFFFAOYSA-N","5471845",NA,"PDBC22491","714518","Present"
-"4-(1,3-Dioxoisoindolin-2-yl)-N-pyrimidin-2-yl-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(1,3-Dioxoisoindol-2-yl)-N-pyrimidin-2-ylbenzenesulfonamide","","C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4","DQWCAOGIBFXAJY-UHFFFAOYSA-N","44187554",NA,"PDBC22492","740118","Present"
-"4-(1,3-Dioxolan-2-yl)-2-(hydroxymethyl)[1,2,4]triazolo[4,3-a]quinoline-1(2H)-thione","","","","","","","","","","","","","","","","","","","","4-(1,3-Dioxolan-2-yl)-2-(hydroxymethyl)[1,2,4]triazolo[4,3-a]quinoline-1(2H)-thione","","C1COC(O1)C2=CC3=CC=CC=C3N4C2=NN(C4=S)CO","OMXKYFFCUGFWQN-UHFFFAOYSA-N","373086",NA,"PDBC22493","649006","Present"
-"4-(1,4-Dioxobenzo[a]carbazol-11-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(1,4-Dioxobenzo[a]carbazol-11-yl)benzonitrile","","C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C#N)C5=C(C=C3)C(=O)C=CC5=O","XQIFDSULHRNKHC-UHFFFAOYSA-N","397017",NA,"PDBC22494","704280","Present"
-"4-(1,5,5a,6,9,9a-Hexahydro-2,4-benzodioxepin-3-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(1,5,5a,6,9,9a-Hexahydro-2,4-benzodioxepin-3-yl)benzonitrile","","C1C=CCC2C1COC(OC2)C3=CC=C(C=C3)C#N","CMALIMURPNBRHI-UHFFFAOYSA-N","370857",NA,"PDBC22495","644579","Present"
-"4-(1-(2-Hydroxybenzoyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-1,3-benzenediol","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(2,4-dihydroxy...","","CC1=NN(C2=C1C(SC(=N2)N)C3=C(C=C(C=C3)O)O)C(=O)C4=CC=CC=C4O","SXLNKLVZGMPPQR-UHFFFAOYSA-N","376876",NA,"PDBC22496","657996","Present"
-"4-(1-(Acetyloxy)-2-(ethoxycarbonyl)-3-oxo-1-butenyl)nicotinic acid","","","","","","","","","","","","","","","","","","","","4-(1-(Acetyloxy)-2-(ethoxycarbonyl)-3-oxo-1-butenyl)nicotinic acid","","CCOC(=O)C(=C(C1=C(C=NC=C1)C(=O)O)OC(=O)C)C(=O)C","HYIGPYWWKXQDPG-SEYXRHQNSA-N","3005245",NA,"PDBC22497","685681","Present"
-"4-(1-Acetyloxypropen-2-yl-)-2-methoxyphenylisobutyrat","","","","","","","","","","","","","","","","","","","","4-(1-Acetyloxypropen-2-yl-)-2-methoxyphenylisobutyrat","","CC(C)C(=O)OC1=C(C=C(C=C1)C(C=C)OC(=O)C)OC","AZEASYGWRLHADI-UHFFFAOYSA-N","384402",NA,"PDBC22498","674130","Present"
-"4-(1-Adamantyl)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-adamantyl)-3,5-diphenyl-5H-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=CC=C6","FNJFABLHZKWMJK-UHFFFAOYSA-N","378744",NA,"PDBC22499","661900","Present"
-"4-(1-Adamantyl)-3-(4-nitrophenyl)-5-phenyl-5H-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-3-(4-nitrophenyl)-5-phenyl-5H-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6","HSTKMQXUSIPRJS-UHFFFAOYSA-N","384699",NA,"PDBC22500","674935","Present"
-"4-(1-Adamantyl)-3-phenyl-5-(3-bromophenyl)-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-3-phenyl-5-(3-bromophenyl)-4,5-dihydro-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=CC=C6)Br","KIGWZRWQNFEJHP-UHFFFAOYSA-N","378747",NA,"PDBC22501","661903","Present"
-"4-(1-Adamantyl)-3-phenyl-5-(3-fluorophenyl)-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-3-phenyl-5-(3-fluorophenyl)-4,5-dihydro-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=CC=C6)F","HYHLGFDNLJIHFZ-UHFFFAOYSA-N","378745",NA,"PDBC22502","661901","Present"
-"4-(1-Adamantyl)-3-phenyl-5-(3-methoxyphenyl)-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-3-phenyl-5-(3-methoxyphenyl)-4,5-dihydro-1,2,4-oxadiazole","","COC1=CC=CC(=C1)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5","GWAVUFDOGHKOND-UHFFFAOYSA-N","378751",NA,"PDBC22503","661907","Present"
-"4-(1-Adamantyl)-3-phenyl-5-(3-methylphenyl)-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-3-phenyl-5-(3-methylphenyl)-4,5-dihydro-1,2,4-oxadiazole","","CC1=CC(=CC=C1)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5","YHZHYDLGNCDZCG-UHFFFAOYSA-N","378749",NA,"PDBC22504","661905","Present"
-"4-(1-Adamantyl)-3-phenyl-5-(4-chlorophenyl)-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-3-phenyl-5-(4-chlorophenyl)-4,5-dihydro-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=C(C=C6)Cl","XTCGJTFARXPSKA-UHFFFAOYSA-N","378746",NA,"PDBC22505","661902","Present"
-"4-(1-Adamantyl)-3-phenyl-5-(4-cyanophenyl)-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-3-phenyl-5-(4-cyanophenyl)-4,5-dihydro-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=C(C=C6)C#N","RRYWMCNGHAUCNY-UHFFFAOYSA-N","378752",NA,"PDBC22506","661908","Present"
-"4-(1-Adamantyl)-3-phenyl-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-3-phenyl-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2,4-oxadiazole","","CN(C)C1=CC=C(C=C1)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5","NQVSALXMASODGJ-UHFFFAOYSA-N","378753",NA,"PDBC22507","661909","Present"
-"4-(1-Adamantyl)-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=C(C=C6)C(F)(F)F","LGQMKKMMRJOBOG-UHFFFAOYSA-N","378750",NA,"PDBC22508","661906","Present"
-"4-(1-Adamantyl)-4,7-dimethyl-5,7,9-triazapentacyclo[10.3.1.03,10.03,14.05,9]hexadecane-6,8-dione","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-4,7-dimethyl-5,7,9-triazapentacyclo[10.3.1.03,10.03,14.05,9]hexadecane-6,8-dione","","CC1(C23CC4CC(CC2C4)CC3N5N1C(=O)N(C5=O)C)C67CC8CC(C6)CC(C8)C7","YZXGXCSVJCWIGP-UHFFFAOYSA-N","391632",NA,"PDBC22509","691118","Present"
-"4-(1-Adamantyl)-5-(2,3-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(2,3-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=C(C(=CC=C6)Cl)Cl","ISWNWDGESDVBJZ-UHFFFAOYSA-N","378761",NA,"PDBC22510","661917","Present"
-"4-(1-Adamantyl)-5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=C(C=C(C=C6)Cl)Cl","LUJHXPLDZRUQDX-UHFFFAOYSA-N","378762",NA,"PDBC22511","661918","Present"
-"4-(1-Adamantyl)-5-(2,6-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(2,6-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=C(C=CC=C6Cl)Cl","QJKYPKWPSHZWHV-UHFFFAOYSA-N","379710",NA,"PDBC22512","664685","Present"
-"4-(1-Adamantyl)-5-(2,6-dimethoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(2,6-dimethoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazole","","COC1=C(C(=CC=C1)OC)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5","JNKXQNREVLZZMV-UHFFFAOYSA-N","384698",NA,"PDBC22513","674934","Present"
-"4-(1-Adamantyl)-5-(2-fluorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(2-fluorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6F","BJDPKCDJTKPBIA-UHFFFAOYSA-N","384700",NA,"PDBC22514","674936","Present"
-"4-(1-Adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole","","COC1=CC=CC=C1C2N(C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5","UTOUMURSSRDWDC-UHFFFAOYSA-N","384702",NA,"PDBC22515","674938","Present"
-"4-(1-Adamantyl)-5-(3,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(3,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl","ADNABTNLUBUBCI-UHFFFAOYSA-N","378763",NA,"PDBC22516","661919","Present"
-"4-(1-Adamantyl)-5-(3,5-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(3,5-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=CC(=C6)Cl)Cl","MRCFUJLJBDHFHW-UHFFFAOYSA-N","378764",NA,"PDBC22517","661920","Present"
-"4-(1-Adamantyl)-5-(4-chloro-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(4-chloro-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]","MATVFXPTQKSTKC-UHFFFAOYSA-N","379711",NA,"PDBC22518","664686","Present"
-"4-(1-Adamantyl)-5-(4-chlorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(4-chlorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)Cl","RQUJZTUWAZDODQ-UHFFFAOYSA-N","384701",NA,"PDBC22519","674937","Present"
-"4-(1-Adamantyl)-5-(4-nitrophenyl)-3-phenyl-5H-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(4-nitrophenyl)-3-phenyl-5H-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]","BCZBIYCPSSHALQ-UHFFFAOYSA-N","378748",NA,"PDBC22520","661904","Present"
-"4-(1-Adamantyl)-5-(5-chloro-2-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","4-(1-Adamantyl)-5-(5-chloro-2-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole","","C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=C(C=CC(=C6)Cl)[N+](=O)[O-]","ZWAHBUZUYWFGNJ-UHFFFAOYSA-N","379712",NA,"PDBC22521","664687","Present"
-"4-(1-Adamantyloxy)-2,6-dichloropyrimidine","","","","","","","","","","","","","","","","","","","","1-Adamantyl 2,6-dichloro-4-pyrimidinyl ether","","C1C2CC3CC1CC(C2)(C3)OC4=CC(=NC(=N4)Cl)Cl","PNHPNPKBSSATBM-UHFFFAOYSA-N","387542",NA,"PDBC22522","681452","Present"
-"4-(1-Adamantylsulfonyl)aniline","","","","","","","","","","","","","","","","","","","","4-(1-Adamantylsulfonyl)aniline","","C1C2CC3CC1CC(C2)(C3)S(=O)(=O)C4=CC=C(C=C4)N","DKRQODSPBOIAOG-UHFFFAOYSA-N","269930",NA,"PDBC22523","111650","Present"
-"4-(1-Aziridinyl)-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4-d]pyrimidine, 4-(1-aziridinyl)-1-(tetrah...","","C1CCOC(C1)N2C3=C(C=N2)C(=NC=N3)N4CC4","WOWVNYFKIVFUJC-UHFFFAOYSA-N","239499",NA,"PDBC22524","44596","Present"
-"4-(1-Benzofuran-2-yl)-5H-1,2,3-dithiazole-5-thione","","","","","","","","","","","","","","","","","","","","4-(1-benzofuran-2-yl)-5H-1,2,3-dithiazole-5-thione","","C1=CC=C2C(=C1)C=C(O2)C3=NSSC3=S","BUCFHMNLJIMQEW-UHFFFAOYSA-N","44569471",NA,"PDBC22525","741896","Present"
-"4-(1-Benzofuran-2-yl)-7-methoxychromen-2-one","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-2-one, 4-(2-benzofuranyl)-7-methoxy-","","COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC4=CC=CC=C4O3","HVJZIPHIHDWKTE-UHFFFAOYSA-N","364364",NA,"PDBC22526","630375","Present"
-"4-(1-Benzothiophen-2-yl)-4-piperidin-1-ylcyclohexan-1-amine","","","","","","","","","","","","","","","","","","","","4-(Benzothiophen-2-yl)-4-(1-piperidyl)cyclohexan-1-amine","","C1CCN(CC1)C2(CCC(CC2)N)C3=CC4=CC=CC=C4S3","GQZMPYDZSHSPLL-UHFFFAOYSA-N","398392",NA,"PDBC22527","708105","Present"
-"4-(1-Benzyl-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-yl)morpholine","","","","","","","","","","","","","","","","","","","","1-Benzyl-2-methyl-4-morpholino-2,3-dihydro-1,5-benzodiazepine","","CC1CC(=NC2=CC=CC=C2N1CC3=CC=CC=C3)N4CCOCC4","QGUVCSSGIIJNRF-UHFFFAOYSA-N","397536",NA,"PDBC22528","705844","Present"
-"4-(1-Benzyl-2-oxopyrrolidin-3-yl)-5-[(Z)-1-hydroxy-3-oxobut-1-enyl]-1H-pyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-(1-Benzyl-2-oxopyrrolidin-3-yl)-5-[(Z)-1-hydroxy-3-oxobut-1-enyl]-1H-pyrrole-2-carboxylic acid","","CC(=O)C=C(C1=C(C=C(N1)C(=O)O)C2CCN(C2=O)CC3=CC=CC=C3)O","DHPFTZVZBOEUMR-MFOYZWKCSA-N","5469917",NA,"PDBC22529","694108","Present"
-"4-(1-Butyl-3-hydroxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-(1-Butyl-3-hydroxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid","","CCCCN1CCC(C1=O)(C2=C(NC(=C2)C(=O)O)C3=CC(=NO3)C)O","ZCCCDKWKNIEVJQ-UHFFFAOYSA-N","392922",NA,"PDBC22530","694106","Present"
-"4-(1-Chloro-2-(3,4-dichlorophenyl)vinyl)phenyl methyl ether","","","","","","","","","","","","","","","","","","","","4-(1-Chloro-2-(3,4-dichlorophenyl)vinyl)phenyl methyl ether","","COC1=CC=C(C=C1)C(=CC2=CC(=C(C=C2)Cl)Cl)Cl","GSQZRDGFYQJNNU-ZSOIEALJSA-N","5467560",NA,"PDBC22531","655913","Present"
-"4-(1-Chloro-2-(4-ethoxyphenyl)vinyl)-1,2-dimethoxybenzene","","","","","","","","","","","","","","","","","","","","4-(1-Chloro-2-(4-ethoxyphenyl)vinyl)-1,2-dimethoxybenzene","","CCOC1=CC=C(C=C1)C=C(C2=CC(=C(C=C2)OC)OC)Cl","RLOMDOXHFCVSNX-WJDWOHSUSA-N","5467562",NA,"PDBC22532","655915","Present"
-"4-(1-Chloroethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-(1-Chloroethyl)-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(C)Cl","PZYLBYTXGRSBGU-UHFFFAOYSA-N","393946",NA,"PDBC22533","696918","Present"
-"4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-(1-cyanonaphthalen-2-ylamino)-4-oxobutanoic acid","","C1=CC=C2C(=C1)C=CC(=C2C#N)NC(=O)CCC(=O)O","QBAJQKUIUQGUSG-UHFFFAOYSA-N","319492",NA,"PDBC22534","263791","Present"
-"4-(1-Cyclohexyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine","","","","","","","","","","","","","","","","","","","","4-(1-Cyclohexyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine","","C1CCC(CC1)N2C(=NN=N2)C3(CCNCC3)NC4=CC=CC=C4","CGXOGJHHUWBUQR-UHFFFAOYSA-N","379862",NA,"PDBC22535","665000","Present"
-"4-(1-Hydroxy-2,2-dimethylpropyl)-N,N-diisopropyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","4-(1-Hydroxy-2,2-dimethylpropyl)-N,N-diisopropyl-1-cubanecarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(C(C)(C)C)O","RCQVUCUPTXPRIP-UHFFFAOYSA-N","369198",NA,"PDBC22536","640904","Present"
-"4-(1-Hydroxy-2-methylpropan-2-yl)-N-phenylpiperazine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","4-(1-Hydroxy-2-methylpropan-2-yl)-N-phenylpiperazine-1-c...","","CC(C)(CO)N1CCN(CC1)C(=S)NC2=CC=CC=C2","AXMCECNEBNXCQG-UHFFFAOYSA-N","3246314",NA,"PDBC22537","87008","Present"
-"4-(1-Hydroxy-4-pentenyl)-2,6-dimethylphenol","","","","","","","","","","","","","","","","","","","","4-(1-Hydroxy-4-pentenyl)-2,6-dimethylphenol","","CC1=CC(=CC(=C1O)C)C(CCC=C)O","ZPYXXKBGYSHNDC-UHFFFAOYSA-N","371298",NA,"PDBC22538","645373","Present"
-"4-(1-Hydroxy-4-phenylbutyl)-2,6-dimethylphenol","","","","","","","","","","","","","","","","","","","","4-(1-Hydroxy-4-phenylbutyl)-2,6-dimethylphenol","","CC1=CC(=CC(=C1O)C)C(CCCC2=CC=CC=C2)O","UYEGHEVKFCTVSM-UHFFFAOYSA-N","371297",NA,"PDBC22539","645372","Present"
-"4-(1-Hydroxyethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","","","","","","","","","","","","","","","","","4-(1-Hydroxyethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","",NA,"PDBC22540","658477","Present"
-"4-(1-Isobutyloxypropen-2-yl-)-2-methoxyphenylisobutyrat","","","","","","","","","","","","","","","","","","","","4-(1-isobutyloxypropen-2-yl-)-2-methoxyphenylisobutyrat","","CC(C)C(=O)OC1=CC=C(C=C1)C(C=C)OC(=O)C(C)C","AXABLKVJKXKCGT-UHFFFAOYSA-N","384403",NA,"PDBC22541","674131","Present"
-"4-(1-Methyl-4,5-dihydroimidazol-2-yl)-1-(4-nitrophenyl)-5-phenyl-triazole","","","","","","","","","","","","","","","","","","","","4-(1-Methyl-4,5-dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazole","","CN1CCN=C1C2=C(N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","NKXNTDZAUVCITI-UHFFFAOYSA-N","371090",NA,"PDBC22542","645036","Present"
-"4-(1-Methyl-4-(phenylsulfonyl)-2-cyclohexen-1-yl)-1-butanol","","","","","","","","","","","","","","","","","","","","4-(1-Methyl-4-(phenylsulfonyl)-2-cyclohexen-1-yl)-1-butanol","","CC1(CCC(C=C1)S(=O)(=O)C2=CC=CC=C2)CCCCO","VMJQAHGRSHVIKV-UHFFFAOYSA-N","390940",NA,"PDBC22543","689193","Present"
-"4-(1-Methylindol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]...","","CN1C=C(C2=CC=CC=C21)C3=CSC(=N3)C4=CN(C5=C4C=CC=N5)C","SBIWTBKEIRQOPM-UHFFFAOYSA-N","155809792",NA,"PDBC22544","778406","Present"
-"4-(1-Methylpyrrol-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(1-Methylpyrrol-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile","","CN1C=CC=C1C2=C(C(=O)NC(=C2)C3=CC=CC=C3)C#N","PVDBMSLQOOZNIO-UHFFFAOYSA-N","19656591",NA,"PDBC22545","735019","Present"
-"4-(1-Methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(1-Methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile","","CN1C=CC=C1C2=C(C(=O)NC(=C2)C3=CC=CS3)C#N","DESFRHOIGFVFSF-UHFFFAOYSA-N","19656592",NA,"PDBC22546","735022","Present"
-"4-(1-Methylpyrrolo[2,3-b]pyridin-3-yl)-2-[1-(3-piperidin-1-ylpropyl)indol-3-yl]-1,3-thiazole","","","","","","","","","","","","","","","","","","","","1-Methyl-3-{2-[1-(3-piperidin-1-yl-propyl)-1H-indol-3-yl...","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=CC=CC=C54)CCCN6CCCCC6","ORFNIWAOKQKVFK-UHFFFAOYSA-N","155813254",NA,"PDBC22547","793994","Present"
-"4-(1-Methylpyrrolo[2,3-b]pyridin-3-yl)-2-[1-(4-piperidin-1-ylbutyl)indol-3-yl]-1,3-thiazole","","","","","","","","","","","","","","","","","","","","1-Methyl-3-{2-[1-(4-piperidin-1-yl-butyl)-1H-indol-3-yl]...","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=CC=CC=C54)CCCCN6CCCCC6","OFGRJLNDUXMWSS-UHFFFAOYSA-N","155812157",NA,"PDBC22548","794011","Present"
-"4-(1-Naphthyl)-1,2,3,4-tetrahydro-3-phenanthrenecarboxylic acid","","","","","","","","","","","","","","","","","","","","4-(1-Naphthyl)-1,2,3,4-tetrahydro-3-phenanthrenecarboxylic acid","","C1CC2=C(C(C1C(=O)O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5C=C2","OSMADBDRFADZPJ-UHFFFAOYSA-N","282424",NA,"PDBC22549","135900","Present"
-"4-(1-Naphthyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(1-Naphthyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide","","C1=CC=C2C(=C1)C=CC=C2C(=O)CC(=O)C(=O)NC3=NC=CS3","HZBVYRGSIUNBIA-UHFFFAOYSA-N","364968",NA,"PDBC22550","631854","Present"
-"4-(1-Naphthyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine","","","","","","","","","","","","","","","","","","","","4-(1-Naphthyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine","","C1CNC(C2=C1NC=N2)C3=CC=CC4=CC=CC=C43","DTSOFKRXDNDWMA-UHFFFAOYSA-N","368198",NA,"PDBC22551","638626","Present"
-"4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)morpholine","","","","","","","","","","","","","","","","","","","","3-(4-Morpholinyl)-1.lambda.~5~,2,4-benzotriazin-1-ol","","C1COCCN1C2=NC3=CC=CC=C3[N+](=N2)[O-]","BEQHDWWEVNJIBU-UHFFFAOYSA-N","494375",NA,"PDBC22552","617850","Present"
-"4-(1-Phenylethylidene)-2-phenyloxazole-5(4H)-one","","","","","","","","","","","","","","","","","","","","4-(1-Phenylethylidene)-2-phenyloxazole-5(4H)-one","","CC(=C1C(=O)OC(=N1)C2=CC=CC=C2)C3=CC=CC=C3","TYPJAOYNIKQSCQ-QINSGFPZSA-N","5384655",NA,"PDBC22553","351964","Present"
-"4-(10-(4-(2-Bromoethoxy)phenyl)-9-anthryl)phenol","","","","","","","","","","","","","","","","","","","","4-(10-(4-(2-Bromoethoxy)phenyl)-9-anthryl)phenol","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)OCCBr)C5=CC=C(C=C5)O","OTJXTZBEGXQROZ-UHFFFAOYSA-N","378369",NA,"PDBC22554","660666","Present"
-"4-(1H Benzimidazol-2-yl)-1-naphthylamine","","","","","","","","","","","","","","","","","","","","4-(1H benzimidazol-2-yl)-1-naphthylamine","","C1=CC=C2C(=C1)C(=CC=C2N)C3=NC4=CC=CC=C4N3","OSMUOQKNFWYPBZ-UHFFFAOYSA-N","24205337",NA,"PDBC22555","735185","Present"
-"4-(1H-Benzimidazol-2-yl)-2,2-dimethylbutanoic acid","","","","","","","","","","","","","","","","","","","","4-(1H-Benzimidazol-2-yl)-2,2-dimethylbutanoic acid","","CC(C)(CCC1=NC2=CC=CC=C2N1)C(=O)O","DBJJQAYXVLLRGG-UHFFFAOYSA-N","356244",NA,"PDBC22556","611399","Present"
-"4-(1H-Benzimidazol-2-yl)-N-[(E)-[2-(4-benzylphenyl)-1H-indol-3-yl]methylideneamino]aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","4-(1H-Benzimidazol-2-yl)-N-[(E)-[2-(4-benzylphenyl)-1H-indol-3-yl]methylideneamino]aniline;hydrochloride","","C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=C(C4=CC=CC=C4N3)C=NNC5=CC=C(C=C5)C6=NC7=CC=CC=C7N6.Cl","ZGTWWBPGYHNABG-CWWQQMKRSA-N","135505227",NA,"PDBC22557","706044","Present"
-"4-(1H-Benzimidazol-2-yl)-N-[(E)-pyridin-2-yldiazenyl]aniline","","","","","","","","","","","","","","","","","","","","4-(1H-Benzimidazol-2-yl)-N-[(E)-pyridin-2-yldiazenyl]aniline","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NC4=CC=CC=N4","SOSOOSUKEWICIL-UHFFFAOYSA-N","5471984",NA,"PDBC22558","715749","Present"
-"4-(1H-Benzimidazol-2-yl)-N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]aniline","","","","","","","","","","","","","","","","","","","","4-(1H-Benzimidazol-2-yl)-N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]aniline","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=NNC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","JUVFPJYJSLKNSU-MIXAMLLLSA-N","135436195",NA,"PDBC22559","713211","Present"
-"4-(1H-Benzimidazol-2-yl)-N-[(Z)-[2-(4-bromophenyl)-1H-indol-3-yl]methylideneamino]aniline","","","","","","","","","","","","","","","","","","","","4-(1H-Benzimidazol-2-yl)-N-[(Z)-[2-(4-bromophenyl)-1H-indol-3-yl]methylideneamino]aniline","","C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Br)C=NNC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","CWPFKGMCXKUYQZ-LQNQUEJISA-N","135436194",NA,"PDBC22560","713210","Present"
-"4-(1H-Benzimidazol-2-ylmethoxy)benzohydrazide","","","","","","","","","","","","","","","","","","","","CAS# 73418-54-9","","C1=CC=C2C(=C1)NC(=N2)COC3=CC=C(C=C3)C(=O)NN","MXIDOEIMYNLTRM-UHFFFAOYSA-N","335810",NA,"PDBC22561","347197","Present"
-"4-(1H-Benzimidazol-2-ylmethylamino)benzenesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC57050","","C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)S(=O)(=O)N.Cl","HZBLDPWRZOJEDK-UHFFFAOYSA-N","54609710",NA,"PDBC22562","57050","Present"
-"4-(1H-Benzimidazol-2-ylmethylamino)phenol","","","","","","","","","","","","","","","","","","","","4-(1H-Benzimidazol-2-ylmethylamino)phenol","","C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)O","DSVPLVKBCWPGCD-UHFFFAOYSA-N","246675",NA,"PDBC22563","60042","Present"
-"4-(1H-Benzimidazol-2-ylsulfanyl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(1H-Benzimidazol-2-ylsulfanyl)benzonitrile","","C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(C=C3)C#N","KJUKPRZLQBZUQM-UHFFFAOYSA-N","366235",NA,"PDBC22564","634571","Present"
-"4-(1H-Benzimidazol-5-yldiazenyl)-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-(1H-Benzimidazol-5-yldiazenyl)-N,N-dimethylaniline","","CN(C)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N=CN3","WFCWCGCKZSPYGF-UHFFFAOYSA-N","387089",NA,"PDBC22565","680480","Present"
-"4-(1H-Benzoimidazole-2-yl)-1,5-dimethyl-2-phenyl-1H-pyrazole-3(2H)-one","","","","","","","","","","","","","","","","","","","","4-(1H-Benzimidazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NC4=CC=CC=C4N3","KDLWGTLCWUJRBQ-UHFFFAOYSA-N","376346",NA,"PDBC22566","657178","Present"
-"4-(1H-Imidazol-2-ylmethyl)morpholine","","","","","","","","","","","","","","","","","","","","Z1171447846","","C1COCCN1CC2=NC=CN2","AKCDXDJPRPTLCF-UHFFFAOYSA-N","272246",NA,"PDBC22567","116534","Present"
-"4-(1H-Imidazol-4-ylmethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","","","","","","","","","","","","","","","","","4-(1H-Imidazol-4-ylmethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","",NA,"PDBC22568","658474","Present"
-"4-(1H-Inden-1-ylidenemethyl)-N,N-dimethylbenzenamine","","","","","","","","","","","","","","","","","","","","dabi","","CN(C)C1=CC=C(C=C1)C=C2C=CC3=CC=CC=C32","HXVZHTQDVDNJMN-DTQAZKPQSA-N","5784745",NA,"PDBC22569","80087","Present"
-"4-(1H-Inden-1-ylidenemethyl)-N-methylaniline","","","","","","","","","","","","","","","","","","","","p-toluidine, .alpha.-inden-1-ylidene-n-methyl- (8ci)","","CNC1=CC=C(C=C1)C=C2C=CC3=CC=CC=C32","NGLDRQSSOKKORP-NTCAYCPXSA-N","6074315",NA,"PDBC22570","82013","Present"
-"4-(1H-Indol-3-yl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","","","","","","","","","","","","","","","","","4-(1H-Indol-3-yl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","",NA,"PDBC22571","658195","Present"
-"4-(1H-Indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-pyrro...","","CN1C=C(C2=C1N=CC=C2)C3=NC(=CS3)C4=CNC5=CC=CC=C54","SXTFGCNSCYKICW-UHFFFAOYSA-N","155806654",NA,"PDBC22572","778407","Present"
-"4-(1H-Indol-3-yl)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-(1H-Indol-3-yl)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid","","CC1=NNC(=O)C1C(CC(=O)C2=CNC3=CC=CC=C32)C(=O)O","BORNQLUXTUACCC-UHFFFAOYSA-N","392028",NA,"PDBC22573","691827","Present"
-"4-(1H-Indol-3-yl)-6-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-thioxo-1,5-dihydropyrimidine-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-(1H-Indol-3-yl)-6-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-sulfanylidene-1,5-dihydropyrimidine-6-carboxylic acid","","CC1=NNC(=O)C1C2(CC(=NC(=S)N2)C3=CNC4=CC=CC=C43)C(=O)O","OMRBUQCXKBOHFV-UHFFFAOYSA-N","3005333",NA,"PDBC22574","691835","Present"
-"4-(1H-Perimidin-2-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(1H-Perimidin-2-yl)benzoic acid","","C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC=C(C=C4)C(=O)O","PJLAQXDJHWXDNA-UHFFFAOYSA-N","376317",NA,"PDBC22575","657130","Present"
-"4-(1H-Pyrrol-2-yl)-2,1,3-benzothiadiazole","","","","","","","","","","","","","","","","","","","","7-(1h-Pyrrol-2-yl)-2,1,3-benzothiadiazole","","C1=CC2=NSN=C2C(=C1)C3=CC=CN3","KAOSOERJKWLBPX-UHFFFAOYSA-N","396293",NA,"PDBC22576","701993","Present"
-"4-(1H-Pyrrol-3-yl)-7-(trifluoromethyl)quinoline","","","","","","","","","","","","","","","","","","","","4-(1H-Pyrrol-3-yl)-7-(trifluoromethyl)quinoline","","C1=CC2=C(C=CN=C2C=C1C(F)(F)F)C3=CNC=C3","SKMUNTTVUSRNRM-UHFFFAOYSA-N","385632",NA,"PDBC22577","676978","Present"
-"4-(2'-Thienylidene amino)-6-benzylmercapto pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-(2'-Thienylidene amino)-6-benzylmercapto pyrazolo[3,4-...","","C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N=CC4=CC=CS4","LDJLZRDHHGESEN-UHFFFAOYSA-N","406681",NA,"PDBC22578","724946","Present"
-"4-(2,2'-Bifuran-5-YL)benzamidine","","","","","","","","","","","","","","","","","","","","NSC766344","","C1=COC(=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N","QVXIOHAOIPVCMZ-UHFFFAOYSA-N","76308400",NA,"PDBC22579","766344","Present"
-"4-(2,2'-Bithiophene-5-YL)benzamidine","","","","","","","","","","","","","","","","","","","","NSC766343","","C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(C=C3)C(=N)N","ARXYEMXDDFWBIM-UHFFFAOYSA-N","76330116",NA,"PDBC22580","766343","Present"
-"4-(2,2-Dimethyl-1,1-dioxido-3-thietanyl)morpholine","","","","","","","","","","","","","","","","","","","","CVTXMNXXSOPOSG-UHFFFAOYSA-","","CC1(C(CS1(=O)=O)N2CCOCC2)C","CVTXMNXXSOPOSG-UHFFFAOYSA-N","294138",NA,"PDBC22581","162113","Present"
-"4-(2,2-Dimethylpropanoyl)-N,N-diisopropyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","4-(2,2-Dimethylpropanoyl)-N,N-diisopropyl-1-cubanecarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)C(C)(C)C","YJKKONRXSNODAR-UHFFFAOYSA-N","369200",NA,"PDBC22582","640906","Present"
-"4-(2,2-Diphenylvinyl)-5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline","","","","","","","","","","","","","","","","","","","","4-(2,2-Diphenylvinyl)-5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline","","CN1CC(C2=C(C1)C=CC(=C2OC)OC)C=C(C3=CC=CC=C3)C4=CC=CC=C4","BMBANZRNVKDGHZ-UHFFFAOYSA-N","366914",NA,"PDBC22583","635976","Present"
-"4-(2,3,4,5-Tetrahydroxypentyl)piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","1-Deoxy-1-(2,6-dioxo-4-piperidinyl)pentitol","","C1C(CC(=O)NC1=O)CC(C(C(CO)O)O)O","GKIPNFRUEODSQW-UHFFFAOYSA-N","386083",NA,"PDBC22584","677673","Present"
-"4-(2,3,4-Trihydroxybutyl)piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","4-(2,3,4-Trihydroxybutyl)piperidine-2,6-dione","","C1C(CC(=O)NC1=O)CC(C(CO)O)O","JSSQSYVEYCBTSR-UHFFFAOYSA-N","386086",NA,"PDBC22585","677676","Present"
-"4-(2,3-Dihydro-1H-inden-4-yl)-2-methyl-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione","","","","","","","","","","","","","","","","","","","","3H-Anthra[1,2-b][1,4]diazepine-8,13-dione, 3,4-dihydro- ...","","CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=CC=CC6=C5CCC6","YGUDWHLZWPTIDY-UHFFFAOYSA-N","367780",NA,"PDBC22586","637719","Present"
-"4-(2,4-Di-tert-butylphenoxy)phthalonitrile","","","","","","","","","","","","","","","","","","","","4-(2,4-Di-tert-butylphenoxy)phthalonitrile","","CC(C)(C)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N)C(C)(C)C","XJTCSBKFETZBSJ-UHFFFAOYSA-N","371803",NA,"PDBC22587","646248","Present"
-"4-(2,4-Diamino-6-imino-1,3,5-triazin-1-yl)benzenesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-(4,6-Diamino-2-imino-1,3,5-triazin-1(2H)-yl)benzenesul...","","C1=CC(=CC=C1N2C(=NC(=NC2=N)N)N)S(=O)(=O)N.Cl","QCTHIHRXPGZSLI-UHFFFAOYSA-N","54599166",NA,"PDBC22588","13572","Present"
-"4-(2,4-Dichloroanilino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","4-(2,4-Dichloroanilino)-1,2-naphthalenedione","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=C(C=C(C=C3)Cl)Cl","MRGJCOYHWKNGKV-UHFFFAOYSA-N","367792",NA,"PDBC22589","637734","Present"
-"4-(2,4-Dichlorophenyl)-1,2-diphenylimidazole","","","","","","","","","","","","","","","","","","","","4-(2,4-Dichlorophenyl)-1,2-diphenylimidazole","","C1=CC=C(C=C1)C2=NC(=CN2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl","NLRQMPIVZYANHK-UHFFFAOYSA-N","45029218",NA,"PDBC22590","745617","Present"
-"4-(2,4-Dichlorophenyl)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","4-(2,4-Dichlorophenyl)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=C(C=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl","DFEKIJNKYDAGJE-UHFFFAOYSA-N","367017",NA,"PDBC22591","636344","Present"
-"4-(2,4-Dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole","","","","","","","","","","","","","","","","","","","","4-(2,4-Dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole","","C1=CC=C(C=C1)N2C=C(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl","XYJKRNVSFUPPDP-UHFFFAOYSA-N","45029220",NA,"PDBC22592","745619","Present"
-"4-(2,4-Dihydroxyphenyl)-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(2,4-Dihydroxyphenyl)-6-(4-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile","","COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=C(C=C(C=C3)O)O","RXYMZZBJGJGSPW-UHFFFAOYSA-N","403755",NA,"PDBC22593","719174","Present"
-"4-(2,4-Dimethoxyphenyl)-1-(4-methoxy-2-nitro-phenyl)-2-(p-tolyl)-4a,7a-dihydro-4h-furo[3,4-b]pyridine-5,7-dione","","","","","","","","","","","","","","","","","","","","4-(2,4-Dimethoxyphenyl)-1-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)-4a,7a-dihydro-4H-furo[3,4-b]pyridine-5,7-dione","","CC1=CC=C(C=C1)C2=CC(C3C(N2C4=C(C=C(C=C4)OC)[N+](=O)[O-])C(=O)OC3=O)C5=C(C=C(C=C5)OC)OC","SSRFGHWUEIOHSK-UHFFFAOYSA-N","392297",NA,"PDBC22594","692573","Present"
-"4-(2,4-Dinitrophenoxy)phenyl phenyl ketone","","","","","","","","","","","","","","","","","","","","[4-(2,4-Dinitro-phenoxy)-phenyl]-phenyl-methanone","","C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","VARRMPLWXUVENV-UHFFFAOYSA-N","243231",NA,"PDBC22595","52583","Present"
-"4-(2,4-Dinitrophenyl)sulfanyl-2-hydroxy-5,5-dimethyl-1,2$l^{5}-oxaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","4-[(2,4-Dinitrophenyl)sulfanyl]-5,5-dimethyl-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide","","CC1(C(=CP(=O)(O1)O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C","HNXFEYLFPPBENV-UHFFFAOYSA-N","380882",NA,"PDBC22596","666666","Present"
-"4-(2,4-Dinitrophenyl)sulfanylpyrimidine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 4-[(2,4-dinitrophenyl)thio]-","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC=NC=C2","SLHSCOLZKJZFFU-UHFFFAOYSA-N","329304",NA,"PDBC22597","311068","Present"
-"4-(2,5-Dichloroanilino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","4-(2,5-Dichloroanilino)-1,2-naphthalenedione","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=C(C=CC(=C3)Cl)Cl","ZJYOWIHKEJINCK-UHFFFAOYSA-N","367784",NA,"PDBC22598","637725","Present"
-"4-(2,5-Dimethoxyphenyl)-1-buten-4-ol","","","","","","","","","","","","","","","","","","","","4-(2,5-Dimethoxyphenyl)-1-buten-4-ol","","COC1=CC(=C(C=C1)OC)C(CC=C)O","AGAXPAIIUSYUCN-UHFFFAOYSA-N","358356",NA,"PDBC22599","618323","Present"
-"4-(2,5-Dimethoxyphenyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine","","","","","","","","","","","","","","","","","","","","4-(2,5-Dimethoxyphenyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine","","COC1=CC(=C(C=C1)OC)C2CC3=CN=C4C(=C3C2)C(=NC(=N4)N)N","YOLHTVAOHBQPOC-UHFFFAOYSA-N","402876",NA,"PDBC22600","717166","Present"
-"4-(2,5-Dimethylpyrrol-1-yl)-3-ethyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-(2,5-Dimethylpyrrol-1-yl)-3-ethyl-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1N2C(=CC=C2C)C","IAEPBIXACNQAEC-UHFFFAOYSA-N","388869",NA,"PDBC22601","684062","Present"
-"4-(2,5-Dimethylpyrrol-1-yl)-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-(2,5-Dimethylpyrrol-1-yl)-3-phenyl-1H-1,2,4-triazol-5-one","","CC1=CC=C(N1N2C(=NNC2=O)C3=CC=CC=C3)C","XNWJCTPATXITRB-UHFFFAOYSA-N","388871",NA,"PDBC22602","684064","Present"
-"4-(2,6-Dichlorophenyl)-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile","","","","","","","","","","","","","","","","","","","","4-(2,6-Dichlorophenyl)-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile","","C1=CC(=C(C(=C1)Cl)C2C(=C(NC(=C2C#N)O)O)C#N)Cl","XWKMLKDLYVIPKU-UHFFFAOYSA-N","366850",NA,"PDBC22603","635827","Present"
-"4-(2,6-Dichlorophenylazo)-2-[(dimethylamino)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-(2,6-Dichlorophenylazo)-2-[(dimethylamino)methyl]phenol","","CN(C)CC1=C(C=CC(=C1)N=NC2=C(C=CC=C2Cl)Cl)O","BDUAUGFOKGYKLY-UHFFFAOYSA-N","384365",NA,"PDBC22604","674075","Present"
-"4-(2,6-Diethylanilino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","4-(2,6-Diethylanilino)-1,2-naphthalenedione","","CCC1=C(C(=CC=C1)CC)NC2=CC(=O)C(=O)C3=CC=CC=C32","YCSOPLIBDXTWNT-UHFFFAOYSA-N","367786",NA,"PDBC22605","637728","Present"
-"4-(2,6-Diisopropylanilino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","4-(2,6-Diisopropylanilino)-1,2-naphthalenedione","","CC(C)C1=C(C(=CC=C1)C(C)C)NC2=CC(=O)C(=O)C3=CC=CC=C32","LMNZTONKUYDHAJ-UHFFFAOYSA-N","369226",NA,"PDBC22606","640955","Present"
-"4-(2,6-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-(2,6-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol","","CC1=C(C(=CC=C1)C)N=NC2=CC(=C(C=C2)O)CN(C)C","PBOOGLDTJWLDNA-UHFFFAOYSA-N","384369",NA,"PDBC22607","674079","Present"
-"4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol","","","","","","","","","","","","","","","","","","","","4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol","","C1OC2=C(O1)C=C(C(=C2)CNCCC3=CC=C(C=C3)O)Br","QZNVRCIXEYLABT-UHFFFAOYSA-N","290548",NA,"PDBC22608","154572","Present"
-"4-(2-((10-((2-(4-Cyanophenoxy)ethyl)thio)decyl)thio)ethoxy)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(2-((10-((2-(4-Cyanophenoxy)ethyl)thio)decyl)thio)ethoxy)benzonitrile","","C1=CC(=CC=C1C#N)OCCSCCCCCCCCCCSCCOC2=CC=C(C=C2)C#N","OBLSUCCAFJPIGO-UHFFFAOYSA-N","371302",NA,"PDBC22609","645376","Present"
-"4-(2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)phenyl)-2,4-dioxo-N-(3-(trifluoromethyl)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","4-[2-[(3,4-Dioxonaphthalen-1-yl)amino]phenyl]-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F","FMUSAQBCSGFOKE-UHFFFAOYSA-N","370946",NA,"PDBC22610","644751","Present"
-"4-(2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)phenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)phenyl)-2,4-dioxobutanamide","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)N","GJVCIRAEJLQKJX-UHFFFAOYSA-N","369473",NA,"PDBC22611","641243","Present"
-"4-(2-((9-Oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(2-((9-Oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzenesulfonamide","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NNC4=CC=C(C=C4)S(=O)(=O)N","VPWINEMCRWFENM-UHFFFAOYSA-N","385776",NA,"PDBC22612","677170","Present"
-"4-(2-((9-Oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(2-((9-Oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzoic acid","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NNC4=CC=C(C=C4)C(=O)O","HQYPQBFOWXSEAB-UHFFFAOYSA-N","385779",NA,"PDBC22613","677173","Present"
-"4-(2-((Aminothioxomethyl)amino)-2-azavinyl}-1-(methylsulfonyl)benzene","","","","","","","","","","","","","","","","","","","","4-(2-((Aminothioxomethyl)amino)-2-azavinyl}-1-(methylsulfonyl)benzene","","CS(=O)(=O)C1=CC=C(C=C1)C=NNC(=S)N","WJYQUHHWXXMQPO-IZZDOVSWSA-N","5351726",NA,"PDBC22614","27063","Present"
-"4-(2-(1-((6-Hydroxy-4-methoxy-1-benzofuran-5-yl)carbonyl)-2-oxopropylidene)hydrazino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(2-(1-((6-Hydroxy-4-methoxy-1-benzofuran-5-yl)carbonyl)-2-oxopropylidene)hydrazino)benzoic acid","","CC(=O)C(=NNC1=CC=C(C=C1)C(=O)O)C(=O)C2=C(C3=C(C=C2O)OC=C3)OC","OYLAIYUAOKLGQO-OQKWZONESA-N","9571498",NA,"PDBC22615","673310","Present"
-"4-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzenesulfonamide","","CN1C2=CC=CC=C2C(=NNC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C41","PNPHGMDIHLFNAQ-UHFFFAOYSA-N","385768",NA,"PDBC22616","677162","Present"
-"4-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid","","CN1C2=CC=CC=C2C(=NNC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C41","UTGHFNMSBZNPNI-UHFFFAOYSA-N","385770",NA,"PDBC22617","677164","Present"
-"4-(2-(2,4-Dichlorophenyl)ethyl)pyrimidine","","","","","","","","","","","","","","","","","","","","4-(2-(2,4-Dichlorophenyl)ethyl)pyrimidine","","C1=CC(=C(C=C1Cl)Cl)CCC2=NC=NC=C2","IRFKBVHFQGZLBI-UHFFFAOYSA-N","368166",NA,"PDBC22618","638584","Present"
-"4-(2-(2,4-Dimethyl-6-oxocyclohexyl)-2-hydroxyethyl)-1-phenyl-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","4-(2-(2,4-Dimethyl-6-oxocyclohexyl)-2-hydroxyethyl)-1-phenyl-2,6-piperidinedione","","CC1CC(C(C(=O)C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)C","BQTZQFAWZXWIHI-UHFFFAOYSA-N","359832",NA,"PDBC22619","621399","Present"
-"4-(2-(2,6-Dihydroxy-4-pyrimidinyl)hydrazino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(2-(2,6-Dihydroxy-4-pyrimidinyl)hydrazino)benzoic acid","","C1=CC(=CC=C1C(=O)O)NNC2=CC(=O)NC(=O)N2","URVKFZCSTBIKKA-UHFFFAOYSA-N","385884",NA,"PDBC22620","677284","Present"
-"4-(2-(2,6-Dimethylanilino)-4-methyl-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(2,6-Dimethylanilino)-4-methyl-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)-2,4-dioxobutanamide","","CC1=C(C(=CC=C1)C)NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=CC(=C(C=C3)C)C)C","GNZGKAVVRMTPNA-UHFFFAOYSA-N","376636",NA,"PDBC22621","657668","Present"
-"4-(2-(2-(1,3-Benzodioxol-5-yl)-3-((4-(2,6-diisopropylanilino)-4-oxobutanoyl)hydrazono)-2,3-dihydro-4H-chromen-4-ylidene)hydrazino)-N-(2-isobutyl-6-isopropylphenyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N'-[(Z)-[(3E)-2-(1,3-Benzodioxol-5-yl)-3-[[4-[2,6-di(propan-2-yl)anilino]-4-oxobutanoyl]hydrazinylidene]chromen-4-ylidene]amino]-N-[2-(2-methylpropyl)-6-propan-2-ylphenyl]butanediamide","","CC(C)CC1=C(C(=CC=C1)C(C)C)NC(=O)CCC(=O)NN=C2C3=CC=CC=C3OC(C2=NNC(=O)CCC(=O)NC4=C(C=CC=C4C(C)C)C(C)C)C5=CC6=C(C=C5)OCO6","GOYJSRGDJJYCTP-YQPVVBDCSA-N","6411646",NA,"PDBC22622","641208","Present"
-"4-(2-(2-(Hydroxy(oxido)amino)anilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-[4-Methyl-2-(2-nitroanilino)thiazol-5-yl]-N-(o-tolyl)-2,4-dioxo-butanamide","","CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=CC=CC=C3[N+](=O)[O-])C","ZUXDZCZKZFJRGQ-UHFFFAOYSA-N","376635",NA,"PDBC22623","657666","Present"
-"4-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-N-(2,4-dimethoxyphenyl)-2-(methylhydrazono)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","(2Z)-4-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-N-(2,4-dimethoxyphenyl)-2-(methylhydrazinylidene)-4-oxobutanamide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)CC(=NNC)C(=O)NC2=C(C=C(C=C2)OC)OC","UZJXVBWYIUEEEI-OYKKKHCWSA-N","9571291",NA,"PDBC22624","641430","Present"
-"4-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)-2,4-dioxobutanamide","","CCOC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NNC(=O)C)C","BYXIQYXCBASOHQ-UHFFFAOYSA-N","369248",NA,"PDBC22625","640979","Present"
-"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","CC1=C(SC(=N1)NC2=CC=CC=C2Cl)C(=O)CC(=O)C(=O)N","AJPLHGQVYQXUJH-UHFFFAOYSA-N","376612",NA,"PDBC22626","657643","Present"
-"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2,6-dichlorophenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2,6-dichlorophenyl)-2,4-dioxobutanamide","","CC1=C(SC(=N1)NC2=CC=CC=C2Cl)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3Cl)Cl","FOEIRCFSFRBNNM-UHFFFAOYSA-N","377037",NA,"PDBC22627","658254","Present"
-"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-2,4-dioxobutanamide","","CCC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=CC=CC=C3Cl)C","ZVDCGYJMRRRQJW-UHFFFAOYSA-N","376639",NA,"PDBC22628","657671","Present"
-"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxobutanamide","","CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=CC=CC=C3Cl)C","VWWYBFRPJMFIGY-UHFFFAOYSA-N","377043",NA,"PDBC22629","658259","Present"
-"4-(2-(2-Ethoxyanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxo-N-phenylbutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(2-Ethoxyanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxo-N-phenylbutanamide","","CCOC1=CC=CC=C1NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=CC=CC=C3)C","AJZAVYCDDGFQHV-UHFFFAOYSA-N","368956",NA,"PDBC22630","640361","Present"
-"4-(2-(2-Methoxyphenyl)vinyl)quinoline","","","","","","","","","","","","","","","","","","","","Quinoline, 4-(o-methoxystyryl)-","","COC1=CC=CC=C1C=CC2=CC=NC3=CC=CC=C23","TVEQIKQZPDKQKV-ZHACJKMWSA-N","5867402",NA,"PDBC22631","15783","Present"
-"4-(2-(2-Oxoindolin-3-ylidene)hydrazinylsulfonyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(2-(2-oxoindolin-3-ylidene)hydrazinylsulfonyl)benzoic ...","","C1=CC=C2C(=C1)C(=C(N2)O)N=NS(=O)(=O)C3=CC=C(C=C3)C(=O)O","XNZSQEXBCNZTSN-UHFFFAOYSA-N","281016",NA,"PDBC22632","133488","Present"
-"4-(2-(2-Phenoxathiinyl)ethanethioyl)morpholine","","","","","","","","","","","","","","","","","","","","4-(2-Phenoxathiin-2-ylethanethioyl)morpholine","","C1COCCN1C(=S)CC2=CC3=C(C=C2)OC4=CC=CC=C4S3","LOEGMKXYDOIJSI-UHFFFAOYSA-N","392078",NA,"PDBC22633","691893","Present"
-"4-(2-(3,4,5-Trimethoxyphenyl)vinyl)quinoline","","","","","","","","","","","","","","","","","","","","NSC69604///NSC87197","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=NC3=CC=CC=C23","PAZAXHPAPRUCGE-CMDGGOBGSA-N","6285127",NA,"PDBC22634","69604///87197","Present"
-"4-(2-(3,4-Dichlorophenyl)-2-hydroxyethyl)-6-methyl-2-pyrimidinol","","","","","","","","","","","","","","","","","","","","4-(2-(3,4-Dichlorophenyl)-2-hydroxyethyl)-6-methyl-2-pyrimidinol","","CC1=CC(=NC(=O)N1)CC(C2=CC(=C(C=C2)Cl)Cl)O","VTHMDSFYHACDGJ-UHFFFAOYSA-N","366048",NA,"PDBC22635","634222","Present"
-"4-(2-(3,4-Dichlorophenyl)-2-hydroxyethyl)-6-phenyl-2-pyrimidinol","","","","","","","","","","","","","","","","","","","","4-(2-(3,4-Dichlorophenyl)-2-hydroxyethyl)-6-phenyl-2-pyrimidinol","","C1=CC=C(C=C1)C2=NC(=O)NC(=C2)CC(C3=CC(=C(C=C3)Cl)Cl)O","URBUFALGLHDPKQ-UHFFFAOYSA-N","365314",NA,"PDBC22636","632903","Present"
-"4-(2-(3,4-Dimethoxyphenyl)vinyl)quinoline","","","","","","","","","","","","","","","","","","","","A822229","","COC1=C(C=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)OC","NFGZBGNIUGXLOT-VQHVLOKHSA-N","6184681",NA,"PDBC22637","64945","Present"
-"4-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylphenyl)-2,4-dioxobutanamide","","CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C","PUVDHTWYIKEPFV-UHFFFAOYSA-N","370951",NA,"PDBC22638","644756","Present"
-"4-(2-(4-((4-(((Amino(imino)methyl)amino)sulfonyl)anilino)carbonyl)-9-acridinyl)hydrazino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-[2-[4-[[4-(Carbamimidoylsulfamoyl)phenyl]carbamoyl]acridin-9-yl]hydrazino]benzoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NNC5=CC=C(C=C5)C(=O)O","BVTJJZCYSRSDES-UHFFFAOYSA-N","385786",NA,"PDBC22639","677180","Present"
-"4-(2-(4-(Dimethylamino)phenyl)vinyl)-8-quinolinol","","","","","","","","","","","","","","","","","","","","4-(2-(4-(Dimethylamino)phenyl)vinyl)-8-quinolinol","","CN(C)C1=CC=C(C=C1)C=CC2=C3C=CC=C(C3=NC=C2)O","OSSROFZTGSSYNR-RMKNXTFCSA-N","5868340",NA,"PDBC22640","240579","Present"
-"4-(2-(4-Chlorophenyl)-1,3-oxazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-(2-(4-Chlorophenyl)-1,3-oxazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=COC(=N3)C4=CC=C(C=C4)Cl","FROFRBFCUPXOOR-UHFFFAOYSA-N","373865",NA,"PDBC22641","650828","Present"
-"4-(2-(4-Chlorophenyl)-4,6-diimino-1,3,5-triazinan-1-yl)-N-(2-pyrimidinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(4,6-diamino-2-(4-chlorophenyl)-1,3,5-triazin-1(2H)-yl...","","C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(N=C(N=C3N)N)C4=CC=C(C=C4)Cl","XHNFAKQGACPDTB-UHFFFAOYSA-N","272646",NA,"PDBC22642","117269","Present"
-"4-(2-(4-Methoxyphenyl)ethynyl)-3-(3,5-trimethoxyphenyl)fur an-2(5H)-one","","","","","","","","","","","","","","","","","","","","4-(2-(4-methoxyphenyl)ethynyl)-3-(3,4,5-trimethoxyphenyl...","","COC1=CC=C(C=C1)C#CC2=C(C(=O)OC2)C3=CC(=C(C(=C3)OC)OC)OC","LBHUYUANCIPXDM-UHFFFAOYSA-N","24204189",NA,"PDBC22643","730946","Present"
-"4-(2-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)ethyl)-N-(6-(((4-(2-(5-amino-4-(aminocarbonyl)-1H-imidazol-1-yl)ethyl)-1-piperazinyl)carbonyl)amino)hexyl)-1-piperazinecarboxamide","","","","","","","","","","","","","","","","","","","","4-[2-(5-Amino-4-carbamoylimidazol-1-yl)ethyl]-N-[6-[[4-[2-(5-amino-4-carbamoylimidazol-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide","","C1CN(CCN1CCN2C=NC(=C2N)C(=O)N)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C=NC(=C4N)C(=O)N","QSDBISIRQOWICH-UHFFFAOYSA-N","362174",NA,"PDBC22644","625754","Present"
-"4-(2-(5-Tert-Butyl-2-oxocyclohexyl)-2-hydroxyethyl)-1-phenyl-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","4-(2-(5-Tert-Butyl-2-oxocyclohexyl)-2-hydroxyethyl)-1-phenyl-2,6-piperidinedione","","CC(C)(C)C1CCC(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O","YBQSJYTUHRZVPN-UHFFFAOYSA-N","359833",NA,"PDBC22645","621400","Present"
-"4-(2-(7-Isopropyl-1-methyl-4-azulenyl)vinyl)-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-(2-(7-Isopropyl-1-methyl-4-azulenyl)vinyl)-N,N-dimethylaniline","","CC1=C2C=C(C=CC(=C2C=C1)C=CC3=CC=C(C=C3)N(C)C)C(C)C","KQJFXUMXCAYMBT-JXMROGBWSA-N","5469112",NA,"PDBC22646","683331","Present"
-"4-(2-(9-Acridinyl)hydrazino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(2-(9-Acridinyl)hydrazino)benzenesulfonamide","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC4=CC=C(C=C4)S(=O)(=O)N","AGBVAHJRHMWVAS-UHFFFAOYSA-N","385774",NA,"PDBC22647","677168","Present"
-"4-(2-(Aminocarbonyl)hydrazino)-2,3-dichloro-2-butenoic acid","","","","","","","","","","","","","","","","","","","","(E)-4-(2-carbamoylhydrazino)-2,3-dichloro-but-2-enoic acid","","C(C(=C(C(=O)O)Cl)Cl)NNC(=O)N","MVHCEQZFPSRLLL-NSCUHMNNSA-N","3004169",NA,"PDBC22648","634494","Present"
-"4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-2-hydrazono-N-(5-(hydroxy(oxido)amino)-2-methylphenyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","(2Z)-4-(2-Carbamothioyl-4-methyl-1,3-thiazol-5-yl)-2-hydrazinylidene-N-(2-methyl-5-nitrophenyl)-4-oxobutanamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=NN)CC(=O)C2=C(N=C(S2)C(=S)N)C","CKSJMDVUZWMVAE-NHDPSOOVSA-N","9571344",NA,"PDBC22649","646794","Present"
-"4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(2-(hydroxy(oxido)amino)phenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-Carbamothioyl-4-methyl-thiazol-5-yl)-N-(2-nitrophenyl)-2,4-dioxo-butanamide","","CC1=C(SC(=N1)C(=S)N)C(=O)CC(=O)C(=O)NC2=CC=CC=C2[N+](=O)[O-]","SGSFASHMCRHUPV-UHFFFAOYSA-N","3004342",NA,"PDBC22650","646795","Present"
-"4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(3-chloro-2-methylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(3-chloro-2-methylphenyl)-2,4-dioxobutanamide","","CC1=C(C=CC=C1Cl)NC(=O)C(=O)CC(=O)C2=C(N=C(S2)C(=S)N)C","ZOEBERHGBBUXLX-UHFFFAOYSA-N","3004364",NA,"PDBC22651","648602","Present"
-"4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(3-chloro-2-methylphenyl)-2-hydrazono-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","(2Z)-4-(2-Carbamothioyl-4-methyl-1,3-thiazol-5-yl)-N-(3-chloro-2-methylphenyl)-2-hydrazinylidene-4-oxobutanamide","","CC1=C(C=CC=C1Cl)NC(=O)C(=NN)CC(=O)C2=C(N=C(S2)C(=S)N)C","TVZHIGJHIWRIBM-JJFYIABZSA-N","9571366",NA,"PDBC22652","648650","Present"
-"4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(4-bromophenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(4-bromophenyl)-2,4-dioxobutanamide","","CC1=C(SC(=N1)C(=S)N)C(=O)CC(=O)C(=O)NC2=CC=C(C=C2)Br","JQFUCAAOXUVBDX-UHFFFAOYSA-N","3004363",NA,"PDBC22653","648599","Present"
-"4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(4-chlorophenyl)-2-hydrazono-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(4-chlorophenyl)-2-hydrazono-4-oxobutanamide","","CC1=C(SC(=N1)C(=S)N)C(=O)CC(=NN)C(=O)NC2=CC=C(C=C2)Cl","BQWVJEBWXZCJSP-FBHDLOMBSA-N","6372911",NA,"PDBC22654","648638","Present"
-"4-(2-(Aminocarbothioyl)hydrazino)-N-(2,4-dichlorophenyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-(Aminocarbothioyl)hydrazino)-N-(2,4-dichlorophenyl)-4-oxobutanamide","","C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC(=O)NNC(=S)N","XDMHQPIYBWWYIA-UHFFFAOYSA-N","3004078",NA,"PDBC22655","625838","Present"
-"4-(2-(Benzyl(hydroxy)amino)ethyl)pyridine","","","","","","","","","","","","","","","","","","","","4-(2-(Benzyl(hydroxy)amino)ethyl)pyridine","","C1=CC=C(C=C1)CN(CCC2=CC=NC=C2)O","DAZQDSHWDALZKB-UHFFFAOYSA-N","250865",NA,"PDBC22656","70818","Present"
-"4-(2-(Benzyloxy)-4-methoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","4-(2-(Benzyloxy)-4-methoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one","","COC1=CC(=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)OCC4=CC=CC=C4","CBEAZKUTRQYCPU-STZFKDTASA-N","6450882",NA,"PDBC22657","262665","Present"
-"4-(2-(Benzylthio)ethyl)pyridine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC20207","","C1=CC=C(C=C1)CSCCC2=CC=NC=C2.Cl","CTBDXUUHBWDLGJ-UHFFFAOYSA-N","210229",NA,"PDBC22658","20207","Present"
-"4-(2-(Carboxymethoxy)-5-methoxyphenyl)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-(2-(Carboxymethoxy)-5-methoxyphenyl)-4-oxobutanoic acid","","COC1=CC(=C(C=C1)OCC(=O)O)C(=O)CCC(=O)O","FTMSDYIKJKPDQY-UHFFFAOYSA-N","361619",NA,"PDBC22659","624804","Present"
-"4-(2-(Ethylthio)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(2-(Ethylthio)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)benzoic acid","","CCSC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3=CC=C(C=C3)C(=O)O","HWXIYSHIOLVZBC-UHFFFAOYSA-N","374233",NA,"PDBC22660","651728","Present"
-"4-(2-(Hydroxy(oxido)amino)phenyl)-N~3~,N~5~-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3[N+](=O)[O-])C(=O)NC4=CC=CC=C4OC","ZJNJEOUPJKYYQJ-UHFFFAOYSA-N","365846",NA,"PDBC22661","633920","Present"
-"4-(2-Acetyl-2-morpholino-1-phenylethyl)morpholine","","","","","","","","","","","","","","","","","","","","Morpholine, 1-acetyl-2-phenylethylene)di-","","CC(=O)C(C(C1=CC=CC=C1)N2CCOCC2)N3CCOCC3","VXZFZOFWTCDDNB-UHFFFAOYSA-N","95378",NA,"PDBC22662","5477","Present"
-"4-(2-Adamantylamino)-2,3-dichloro-4-oxo-2-butenoic acid","","","","","","","","","","","","","","","","","","","","(E)-4-(2-adamantylamino)-2,3-dichloro-4-oxo-but-2-enoic acid","","C1C2CC3CC1CC(C2)C3NC(=O)C(=C(C(=O)O)Cl)Cl","RWRPBNNRVYGIDE-ZHACJKMWSA-N","3004009",NA,"PDBC22663","622412","Present"
-"4-(2-Adamantyloxy)-2,6-dichloropyrimidine","","","","","","","","","","","","","","","","","","","","2-Adamantyl 2,6-dichloro-4-pyrimidinyl ether","","C1C2CC3CC1CC(C2)C3OC4=CC(=NC(=N4)Cl)Cl","PATBRHMGNOWNMR-UHFFFAOYSA-N","387543",NA,"PDBC22664","681453","Present"
-"4-(2-Amino-3-((2-hydroxy-1-(hydroxymethyl)ethyl)amino)-3-oxopropyl)phenylboronic acid","","","","","","","","","","","","","","","","","","","","4-(2-Amino-3-((2-hydroxy-1-(hydroxymethyl)ethyl)amino)-3-oxopropyl)phenylboronic acid","","B(C1=CC=C(C=C1)CC(C(=O)NC(CO)CO)N)(O)O","BTTUTOZTSAEMSC-UHFFFAOYSA-N","382435",NA,"PDBC22665","670000","Present"
-"4-(2-Amino-4-hydroxy-8-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(2-Amino-4-hydroxy-8-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid","","C1C2=C(C(=O)N1C3=CC=C(C=C3)C(=O)O)N=C4C(=N2)C(=O)NC(=N4)N","HZFWDZURCMFJOM-UHFFFAOYSA-N","135432330",NA,"PDBC22666","152432","Present"
-"4-(2-Amino-5,6-diphenyl-pyrimidin-4-yl)-5,6-diphenyl-pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-(2-Amino-5,6-diphenyl-pyrimidin-4-yl)-5,6-diphenyl-pyrimidin-2-amine","","C1=CC=C(C=C1)C2=C(N=C(N=C2C3=NC(=NC(=C3C4=CC=CC=C4)C5=CC=CC=C5)N)N)C6=CC=CC=C6","VIGCSNVHXHTHDG-UHFFFAOYSA-N","340857",NA,"PDBC22667","372046","Present"
-"4-(2-Amino-6-cyclopropyl-5-methyl-pyrimidin-4-yl)-6-cyclopropyl-5-methyl-pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-(2-Amino-6-cyclopropyl-5-methyl-pyrimidin-4-yl)-6-cyclopropyl-5-methyl-pyrimidin-2-amine","","CC1=C(N=C(N=C1C2CC2)N)C3=C(C(=NC(=N3)N)C4CC4)C","BOPFLBXNGOUUFB-UHFFFAOYSA-N","340856",NA,"PDBC22668","372045","Present"
-"4-(2-Amino-6-naphthalen-1-yl-pyrimidin-4-yl)-6-naphthalen-1-yl-pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","6,6'-di(naphthalen-1-yl)-4,4'-bipyrimidine-2,2'-diamine","","C1=CC=C2C(=C1)C=CC=C2C3=CC(=NC(=N3)N)C4=NC(=NC(=C4)C5=CC=CC6=CC=CC=C65)N","YBUAALSUKVNQFM-UHFFFAOYSA-N","340795",NA,"PDBC22669","371876","Present"
-"4-(2-Amino-6-naphthalen-2-yl-pyrimidin-4-yl)-6-naphthalen-2-yl-pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","6,6'-di(Naphthalen-2-yl)-4,4'-bipyrimidine-2,2'-diamine","","C1=CC=C2C=C(C=CC2=C1)C3=CC(=NC(=N3)N)C4=NC(=NC(=C4)C5=CC6=CC=CC=C6C=C5)N","MWHBOCMKBJUAIM-UHFFFAOYSA-N","340797",NA,"PDBC22670","371878","Present"
-"4-(2-Amino-6-pyridin-3-yl-pyrimidin-4-yl)-6-pyridin-3-yl-pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-(2-Amino-6-pyridin-3-yl-pyrimidin-4-yl)-6-pyridin-3-yl-pyrimidin-2-amine","","C1=CC(=CN=C1)C2=CC(=NC(=N2)N)C3=NC(=NC(=C3)C4=CN=CC=C4)N","ZINXVGZOQNHSCH-UHFFFAOYSA-N","340791",NA,"PDBC22671","371872","Present"
-"4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride","","","","","","","","","","","","","","","","","","","","Pefabloc SC","","C1=CC(=CC=C1CCN)S(=O)(=O)F.Cl","WRDABNWSWOHGMS-UHFFFAOYSA-N","186136",NA,"PDBC22672","727364","Present"
-"4-(2-Aminoethyl)piperidin-4-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC680482","","C1CNCCC1(CCN)N.Cl","MTTSUKIQFHGIMD-UHFFFAOYSA-N","387091",NA,"PDBC22673","680482","Present"
-"4-(2-Aminophenyl)butyric Acid, Hydrochloride","","","","","","","","","","","","","","","","","","","","NSC89250","","C1=CC=C(C(=C1)CCCC(=O)O)N.Cl","CIFMHKRERKYNKL-UHFFFAOYSA-N","24189422",NA,"PDBC22674","89250","Present"
-"4-(2-Aminopropyl)benzoyl chloride;hydrochloride","","","","","","","","","","","","","","","","","","","","4-(2-Aminopropyl)benzoyl chloride;hydrochloride","","CC(CC1=CC=C(C=C1)C(=O)Cl)N.Cl","XRHCEBJGXPRNRV-UHFFFAOYSA-N","24200620",NA,"PDBC22675","400148","Present"
-"4-(2-Anilino-4-methyl-1,3-thiazol-5-yl)-N-(2,6-diisopropylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-Anilino-4-methyl-1,3-thiazol-5-yl)-N-(2,6-diisopropylphenyl)-2,4-dioxobutanamide","","CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C","KYAWNUYEAQSZHJ-UHFFFAOYSA-N","367738",NA,"PDBC22676","637677","Present"
-"4-(2-Anilino-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(2-Anilino-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-2,4-dioxobutanamide","","CCC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=CC=CC=C3)C","WAQXUMXDRYGYNF-UHFFFAOYSA-N","368955",NA,"PDBC22677","640360","Present"
-"4-(2-Anilino-6-chloro-7H-purin-7-yl)butyl acetate","","","","","","","","","","","","","","","","","","","","4-(2-Anilino-6-chloro-7H-purin-7-yl)butyl acetate","","CC(=O)OCCCCN1C=NC2=C1C(=NC(=N2)NC3=CC=CC=C3)Cl","MHQKWEZMDYFJBE-UHFFFAOYSA-N","385890",NA,"PDBC22678","677291","Present"
-"4-(2-Anilino-6-chloropurin-9-yl)butyl acetate","","","","","","","","","","","","","","","","","","","","NRBDNMCXPOHNPO-UHFFFAOYSA-N","","CC(=O)OCCCCN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3","NRBDNMCXPOHNPO-UHFFFAOYSA-N","385891",NA,"PDBC22679","677292","Present"
-"4-(2-Benzoyl-4-chloroanilino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","4-(2-Benzoyl-4-chloroanilino)-1,2-naphthalenedione","","C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC3=CC(=O)C(=O)C4=CC=CC=C43","FAXCSOIHOXMRFK-UHFFFAOYSA-N","369839",NA,"PDBC22680","642036","Present"
-"4-(2-Benzoylanilino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","4-(2-Benzoylanilino)-1,2-naphthalenedione","","C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43","RGLSDDNPRPVLMO-UHFFFAOYSA-N","367785",NA,"PDBC22681","637726","Present"
-"4-(2-Benzyl-5-methyl-1,3-thiazol-4-yl)aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","4-(2-Benzyl-5-methyl-1,3-thiazol-4-yl)aniline;hydrochloride","","CC1=C(N=C(S1)CC2=CC=CC=C2)C3=CC=C(C=C3)N.Cl","ZHDPIRPZZGBVKR-UHFFFAOYSA-N","24197991",NA,"PDBC22682","281616","Present"
-"4-(2-Benzyl-7-chloro-1,3-dioxo-5H-pyrrolo[3,4-b][1,4]benzoxazepin-4-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(2-benzyl-7-chloro-1,3-dioxo-2,3-dihydro-1H-benzo[f]py...","","C1C2=C(C=CC(=C2)Cl)OC3=C(N1C4=CC=C(C=C4)C#N)C(=O)N(C3=O)CC5=CC=CC=C5","ZBUXINPTACJFQA-UHFFFAOYSA-N","155808802",NA,"PDBC22683","789278","Present"
-"4-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-5,4-dihydro-[1,2,4]triazepin-3-ylideneamine","","","","","","","","","","","","","","","","","","","","4-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-5,7-di...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N3C(=CC(=NN=C3N)C)C","NDYWWIDREUJQAE-UHFFFAOYSA-N","24206087",NA,"PDBC22684","740024","Present"
-"4-(2-Bromoethylsulfanylmethyl)-7-methoxychromen-2-one","","","","","","","","","","","","","","","","","","","","4-(2-Bromoethylsulfanylmethyl)-7-methoxychromen-2-one","","COC1=CC2=C(C=C1)C(=CC(=O)O2)CSCCBr","OYKGVZVMWHCQEL-UHFFFAOYSA-N","326958",NA,"PDBC22685","299878","Present"
-"4-(2-Bromophenyl)-1,7-diphenyl-3,5-dimethyl-1,7-dihydrodipyrazolo[3,4-b:4',3'-e]pyridine","","","","","","","","","","","","","","","","","","","","8-(2-Bromophenyl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene","","CC1=NN(C2=NC3=C(C(=NN3C4=CC=CC=C4)C)C(=C12)C5=CC=CC=C5Br)C6=CC=CC=C6","JCZYUTUHWZUOLF-UHFFFAOYSA-N","396453",NA,"PDBC22686","702426","Present"
-"4-(2-Bromopropyl)morpholine","","","","","","","","","","","","","","","","","","","","4-(2-Bromopropyl)morpholine","","CC(CN1CCOCC1)Br.Br","FTWHMILFFNJOLI-UHFFFAOYSA-N","24190443",NA,"PDBC22687","108708","Present"
-"4-(2-Carboxybenzoyl)phthalic acid","","","","","","","","","","","","","","","","","","","","4-(2-carboxybenzoyl)phthalic acid","","C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O","HVFUYBNYHCZLSY-UHFFFAOYSA-N","231852",NA,"PDBC22688","28620","Present"
-"4-(2-Chloro-4-phenyl-buta-1,6-dimethyl-1,4-dihyd ro-pyridine-3,5-dicarboxylic dimethyl ester","","","","","","","","","","","","","","","","","","","","4-(2-Chloro-4-phenyl-buta-1,3-dienyl)-2,6-dimethyl-1,4-d...","","CC1=C(C(C(=C(N1)C)C(=O)OC)C=C(C=CC2=CC=CC=C2)Cl)C(=O)OC","JBPYVMAOTDAEBV-ZBUTWXCBSA-N","24205334",NA,"PDBC22689","735168","Present"
-"4-(2-Chloroacetyl)-6,7-dimethyl-1,3-dihydroquinoxalin-2-one","","","","","","","","","","","","","","","","","","","","4-(Chloroacetyl)-6,7-dimethyl-3,4-dihydroquinoxalin-2(1h)-one","","CC1=CC2=C(C=C1C)N(CC(=O)N2)C(=O)CCl","VSDDGURPBRNRLS-UHFFFAOYSA-N","283529",NA,"PDBC22690","138389","Present"
-"4-(2-Chlorobenzoyl)morpholin-3-one","","","","","","","","","","","","","","","","","","","","4-(2-Chlorobenzoyl)morpholin-3-one","","C1COCC(=O)N1C(=O)C2=CC=CC=C2Cl","KGHSBGOGOQEBPK-UHFFFAOYSA-N","386114",NA,"PDBC22691","677746","Present"
-"4-(2-Chloroimidazo[2,1-b]thiazol-6-yl)phenol","","","","","","","","","","","","","","","","","","","","4-(2-Chloroimidazo[2,1-b][1,3]thiazol-6-yl)phenol","","C1=CC(=CC=C1C2=CN3C=C(SC3=N2)Cl)O","VTUPXNINHAIJMA-UHFFFAOYSA-N","472921",NA,"PDBC22692","732200","Present"
-"4-(2-Chlorophenyl)-1,2-di(2-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-1,2-di(2-thienyl)-1,4-butanedione","","C1=CC=C(C(=C1)C(=O)CC(C2=CC=CS2)C(=O)C3=CC=CS3)Cl","OFGQJXQGWLPUPY-UHFFFAOYSA-N","376716",NA,"PDBC22693","657762","Present"
-"4-(2-Chlorophenyl)-2-(4-(hydroxy(oxido)amino)phenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CC=C3Cl)C4=CC=C(C=C4)[N+](=O)[O-]","LMZWRHWANKNGJC-UHFFFAOYSA-N","364775",NA,"PDBC22694","631534","Present"
-"4-(2-Chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide","","C1C(S(=O)(=O)C2=CC=CC=C2N=C1C3=CC=CC=C3Cl)C4=CC=C(C=C4)F","ZVVDRENJPFGHLM-UHFFFAOYSA-N","367599",NA,"PDBC22695","637431","Present"
-"4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3Cl)C4=CC=C(C=C4)[N+](=O)[O-]","BCKSPFQRKXHRMW-UHFFFAOYSA-N","359799",NA,"PDBC22696","621360","Present"
-"4-(2-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","C1=CC=C(C(=C1)C2C3=C(C(=O)C4=CC=CC=C43)NC(=S)N2)Cl","KPERLSFMBAVGPA-UHFFFAOYSA-N","3001712",NA,"PDBC22697","641187","Present"
-"4-(2-Chlorophenyl)-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4OC","MZSRVBDQJHIKSP-UHFFFAOYSA-N","361077",NA,"PDBC22698","623882","Present"
-"4-(2-Chlorophenyl)-3-methoxy-1-methylsulfanylazetidin-2-one","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-3-methoxy-1-(methylsulfanyl)azetidin-2-one","","COC1C(N(C1=O)SC)C2=CC=CC=C2Cl","DOFBRCXRLYRBHR-UHFFFAOYSA-N","404547",NA,"PDBC22699","720794","Present"
-"4-(2-Chlorophenyl)-4-methyl-2,6-dioxo-3,5-piperidinedicarbonitrile","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-4-methyl-2,6-dioxo-3,5-piperidinedicarbonitrile","","CC1(C(C(=O)NC(=O)C1C#N)C#N)C2=CC=CC=C2Cl","OKPLPGSFIVHOTL-UHFFFAOYSA-N","367028",NA,"PDBC22700","636355","Present"
-"4-(2-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl","DVHVBKOTRHCVSK-UHFFFAOYSA-N","24203841",NA,"PDBC22701","729777","Present"
-"4-(2-Chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-3,4,5,8,9,11-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2,5,7(12),8,10,13,15-octaen-10-amine","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-3,4,5,8,9,11-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2,5,7(12),8,10,13,15-octaen-10-amine","","COC1=CC=C(C=C1)C=NNC2=NC3=C(C4=NN(N=C4C5=CC=CC=C53)C6=CC=CC=C6Cl)N=N2","PNOBACWLVQSCAR-MZJWZYIUSA-N","9556302",NA,"PDBC22702","690235","Present"
-"4-(2-Chlorophenyl)-N~3~,N~5~-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-3-N,5-N-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(=CC=C1)C)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3Cl)C(=O)NC4=C(C=CC=C4C)C)C)C","ULRYCMBGUSZDEP-UHFFFAOYSA-N","367693",NA,"PDBC22703","637624","Present"
-"4-(2-Chlorophenyl)-N~3~,N~5~-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenyl)-N~3~,N~5~-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CCC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4CC)C)C","SXMVYMOYSIMGKW-UHFFFAOYSA-N","367733",NA,"PDBC22704","637672","Present"
-"4-(2-Chlorophenylazo)-2,6-bis[(dimethylamino)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenylazo)-2,6-bis[(dimethylamino)methyl]phenol","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)N=NC2=CC=CC=C2Cl","NGJVZHSVHYZXGL-UHFFFAOYSA-N","384370",NA,"PDBC22705","674080","Present"
-"4-(2-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-(2-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol","","CN(C)CC1=C(C=CC(=C1)N=NC2=CC=CC=C2Cl)O","BCAAUQURENEARX-UHFFFAOYSA-N","384362",NA,"PDBC22706","674072","Present"
-"4-(2-Chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","4-(2-Chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one","","CC1=NN(C2=C1C(NC(=O)N2)C3=CC4=CC=CC=C4N=C3Cl)C5=CC=CC=C5","HPPCPJTYMWZFMQ-UHFFFAOYSA-N","403632",NA,"PDBC22707","718700","Present"
-"4-(2-Chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-6-thione","","","","","","","","","","","","","","","","","","","","4-(2-Chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-6-thione","","CC1=NN(C2=C1C(NC(=S)N2)C3=CC4=CC=CC=C4N=C3Cl)C5=CC=CC=C5","KBVJXKBUXYMZSF-UHFFFAOYSA-N","135426805",NA,"PDBC22708","718699","Present"
-"4-(2-Cyanoethyl)-4-(hydroxyamino)heptanedinitrile","","","","","","","","","","","","","","","","","","","","4-(2-Cyanoethyl)-4-(hydroxyamino)heptanedinitrile","","C(CC(CCC#N)(CCC#N)NO)C#N","BXCBJARXKZYQAU-UHFFFAOYSA-N","387078",NA,"PDBC22709","680469","Present"
-"4-(2-Cyanoethyl)-4-formylheptanedinitrile","","","","","","","","","","","","","","","","","","","","4-(2-Cyanoethyl)-4-formylheptanedinitrile","","C(CC(CCC#N)(CCC#N)C=O)C#N","RXSREDSJLRURFJ-UHFFFAOYSA-N","386844",NA,"PDBC22710","679578","Present"
-"4-(2-Diethoxyphosphoryl-3H-azepin-3-yl)-2-ethyl-5-phenyl-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","4-(2-Diethoxyphosphoryl-3H-azepin-3-yl)-2-ethyl-5-phenyl-1,2,4-triazol-3-one","","CCN1C(=O)N(C(=N1)C2=CC=CC=C2)C3C=CC=CN=C3P(=O)(OCC)OCC","CYTHGQYKPZMCAD-UHFFFAOYSA-N","373103",NA,"PDBC22711","649045","Present"
-"4-(2-Dimethylamino-vinyl)pyridine","","","","","","","","","","","","","","","","","","","","4-(2-Dimethylamino-vinyl)pyridine","","CN(C)C=CC1=CC=NC=C1","OWVFJYJLBSWYII-VMPITWQZSA-N","5469584",NA,"PDBC22712","690415","Present"
-"4-(2-Ethoxyethoxy)-2-[1-(2-ethoxyethoxy)but-3-enyl]-1-methoxybenzene","","","","","","","","","","","","","","","","","","","","4-(2-Ethoxyethoxy)-2-[1-(2-ethoxyethoxy)but-3-enyl]-1-methoxybenzene","","CCOCCOC1=CC(=C(C=C1)OC)C(CC=C)OCCOCC","FSOIDZVQCLPJGZ-UHFFFAOYSA-N","358354",NA,"PDBC22713","618321","Present"
-"4-(2-Ethylamino-1-hydroxyethyl)-2-nitroaniline, hydrochloride","","","","","","","","","","","","","","","","","","","","4-(2-Ethylamino-1-hydroxyethyl)-2-nitroaniline, hydrochl...","","CCNCC(C1=CC(=C(C=C1)N)[N+](=O)[O-])O.Cl","CZCYUKXFVOYIFQ-UHFFFAOYSA-N","360897",NA,"PDBC22714","623607","Present"
-"4-(2-Fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-phenylbutanamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-phenylbutanamide","","C1=CC=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","DBBVNDGQANXYMF-UHFFFAOYSA-N","369246",NA,"PDBC22715","640977","Present"
-"4-(2-Fluorophenyl)-2,6-dimethyl-N~3~,N~5~-bis(3-(trifluoromethyl)phenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-2,6-dimethyl-3-N,5-N-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3F)C(=O)NC4=CC=CC(=C4)C(F)(F)F","DJXQXGKPMPOSDK-UHFFFAOYSA-N","367678",NA,"PDBC22716","637609","Present"
-"4-(2-Fluorophenyl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","YRDZXMGIXPRCGR-UHFFFAOYSA-N","369477",NA,"PDBC22717","641247","Present"
-"4-(2-Fluorophenyl)-N-(2-methoxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-N-(2-methoxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","COC1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","BWLOABWQSKIOGH-UHFFFAOYSA-N","369261",NA,"PDBC22718","640992","Present"
-"4-(2-Fluorophenyl)-N-(2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydroisobenz...","","CC1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","QFSXPDAHYQZTCB-UHFFFAOYSA-N","369458",NA,"PDBC22719","641228","Present"
-"4-(2-Fluorophenyl)-N-(3-(hydroxy(oxido)amino)phenyl)-2,4-dioxo-3-(3-oxo-1,3,3a,7a-tetrahydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-N-(3-nitrophenyl)-2,4-dioxo-3-(3-oxo-3a,7a-dihydro-1H-2-benzofuran-1-yl)butanamide","","C1=CC=C(C(=C1)C(=O)C(C2C3C=CC=CC3C(=O)O2)C(=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])F","ZPJRZGXHUHSGBE-UHFFFAOYSA-N","369256",NA,"PDBC22720","640987","Present"
-"4-(2-Fluorophenyl)-N-(3-hydroxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-N-(3-hydroxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC(=CC=C4)O","SPCIKAHTGSLSJS-UHFFFAOYSA-N","369244",NA,"PDBC22721","640975","Present"
-"4-(2-Fluorophenyl)-N-(3-methoxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-fluorophenyl)-N-(3-methoxyphenyl)-2,4-dioxo-3-(3-ox...","","COC1=CC=CC(=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","XVKZYGZINCKONL-UHFFFAOYSA-N","369257",NA,"PDBC22722","640988","Present"
-"4-(2-Fluorophenyl)-N-(4-(hydroxy(oxido)amino)phenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-N-(4-nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","AXZLBPACMVJUEU-UHFFFAOYSA-N","369245",NA,"PDBC22723","640976","Present"
-"4-(2-Fluorophenyl)-N-(4-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-N-(4-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC=C(C=C4)F","ZYJQFBBLXRBNSA-UHFFFAOYSA-N","369247",NA,"PDBC22724","640978","Present"
-"4-(2-Fluorophenyl)-N-(5-(hydroxy(oxido)amino)-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-N-(2-methyl-5-nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","JMOOMEDXBBTHEC-UHFFFAOYSA-N","369258",NA,"PDBC22725","640989","Present"
-"4-(2-Fluorophenyl)-N-(6-(hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]","WVZLFXMXNBWPRY-UHFFFAOYSA-N","369249",NA,"PDBC22726","640980","Present"
-"4-(2-Fluorophenyl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(2-Fluorophenyl)-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3F)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","AKZYHZVLRBBJSL-UHFFFAOYSA-N","367707",NA,"PDBC22727","637638","Present"
-"4-(2-Furyl)-1,2,6-trimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(2-Furyl)-1,2,6-trimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(N(C(=C(C2C3=CC=CO3)C(=O)NC4=CC=CC=C4C)C)C)C","GJTVPKMVZKYNFP-UHFFFAOYSA-N","366294",NA,"PDBC22728","634645","Present"
-"4-(2-Furyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","4-(2-Furyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","C1=COC(=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=CS3","KFXOCNYXQLATHQ-UHFFFAOYSA-N","395523",NA,"PDBC22729","700213","Present"
-"4-(2-Furyl)-2-hydroxy-6-(4-methoxyphenyl)nicotinonitrile","","","","","","","","","","","","","","","","","","","","4-(2-Furyl)-2-hydroxy-6-(4-methoxyphenyl)nicotinonitrile","","COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CO3","HGUXLMZXVVZGIU-UHFFFAOYSA-N","368867",NA,"PDBC22730","640206","Present"
-"4-(2-Furyl)-2-mercapto-6-(4-methylphenyl)nicotinonitrile","","","","","","","","","","","","","","","","","","","","4-(2-Furyl)-2-mercapto-6-(4-methylphenyl)nicotinonitrile","","CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CO3","WXZMEJWVJQZWJT-UHFFFAOYSA-N","3005104",NA,"PDBC22731","671805","Present"
-"4-(2-Furyl)-3-imino-1-oxo-4,5,6,7,8,9-hexahydropyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile","","","","","","","","","","","","","","","","","","","","4-(2-Furyl)-3-imino-1-oxo-4,5,6,7,8,9-hexahydropyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile","","C1CCC2=C(C1)C3(C(=O)N=C(C3(C(N2)C4=CC=CO4)C#N)N)C#N","XCSILLPYJWNBHH-UHFFFAOYSA-N","394333",NA,"PDBC22732","697702","Present"
-"4-(2-Furyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(Furan-2-yl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile","","C1=CC=C(C=C1)C2=CC(C(=C(N2C3C(C(C(C(O3)CO)O)O)O)S)C#N)C4=CC=CO4","UNJRKQHMCCKMSG-UHFFFAOYSA-N","385417",NA,"PDBC22733","676597","Present"
-"4-(2-Furyl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(Furan-2-yl)-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","KCDYBKMBGMAQNS-UHFFFAOYSA-N","367674",NA,"PDBC22734","637605","Present"
-"4-(2-Furylmethylene)-2,2-dimethyl-1,3-cyclobutanedione","","","","","","","","","","","","","","","","","","","","Isopropylidene furfurylidene malonate","","CC1(C(=O)C(=CC2=CC=CO2)C1=O)C","JGCDUDVBAZIFLD-UHFFFAOYSA-N","370263",NA,"PDBC22735","643037","Present"
-"4-(2-Hydroxy-2-(2-hydroxy-3-methylcyclohexyl)ethyl)-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","4-[2-Hydroxy-2-(2-hydroxy-3-methylcyclohexyl)ethyl]piperidine-2,6-dione","","CC1CCCC(C1O)C(CC2CC(=O)NC(=O)C2)O","QBQZXZIYUPVIFD-UHFFFAOYSA-N","278293",NA,"PDBC22736","127709","Present"
-"4-(2-Hydroxy-2-(3-methyl-2-oxocyclohexyl)ethyl)-1-phenyl-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxy-2-(3-methyl-2-oxocyclohexyl)ethyl)-1-phenyl-2,6-piperidinedione","","CC1CCCC(C1=O)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O","RCZRBUNYNIOSQE-UHFFFAOYSA-N","359830",NA,"PDBC22737","621397","Present"
-"4-(2-Hydroxy-2-(5-methyl-2-oxocyclohexyl)ethyl)-1-phenyl-2,6-piperidinedione","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxy-2-(5-methyl-2-oxocyclohexyl)ethyl)-1-phenyl-2,6-piperidinedione","","CC1CCC(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O","PLQNPRYILAJVAL-UHFFFAOYSA-N","359831",NA,"PDBC22738","621398","Present"
-"4-(2-Hydroxy-3-isopropoxypropoxy)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxy-3-isopropoxypropoxy)-2H-chromen-2-one","","CC(C)OCC(COC1=CC(=O)OC2=CC=CC=C21)O","HIPFKIWMKRTPGR-UHFFFAOYSA-N","381519",NA,"PDBC22739","668275","Present"
-"4-(2-Hydroxy-3-methoxyphenyl)-2-methyl-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxy-3-methoxyphenyl)-2-methyl-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione","","CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=C(C(=CC=C5)OC)O","AUMDYKOUHUXDRR-UHFFFAOYSA-N","367781",NA,"PDBC22740","637720","Present"
-"4-(2-Hydroxy-5-methoxyphenyl)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","NS-02771","","COC1=CC(=C(C=C1)O)C(=O)CCC(=O)O","LKCLKCOWTYSINF-UHFFFAOYSA-N","361620",NA,"PDBC22741","624805","Present"
-"4-(2-Hydroxyethyl)-10-(3-methoxyphenyl)-3,6,7,8,10-hexahydro-1H-cyclopenta[g]furo[3,4-b]quinolin-1-one","","","","","","","","","","","","","","","","","","","","4-(2-hydroxyethyl)-10-(3-methoxyphenyl)-3,4,6,7,8,10-hex...","","COC1=CC=CC(=C1)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO","JVONZUTUVAVGPK-UHFFFAOYSA-N","50900823",NA,"PDBC22742","750719","Present"
-"4-(2-Hydroxyethyl)-10-phenyl-3,6,7,8,10-hexahydro-1H-cyclopenta[g]furo[3,4-b]quinolin-1-one","","","","","","","","","","","","","","","","","","","","4-(2-hydroxyethyl)-10-phenyl-3,4,6,7,8,10-hexahydro-1H-c...","","C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC=CC=C5)C(=O)OC4)CCO","ZKKWNFUBKHRUMT-UHFFFAOYSA-N","50900824",NA,"PDBC22743","750213","Present"
-"4-(2-Hydroxyethyl)-2-(4-hydroxy-5-(2-hydroxyethyl)-6-methyl-2-pyrimidinyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","5-(2-Hydroxyethyl)-2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4-methyl-1H-pyrimidin-6-one","","CC1=C(C(=O)N(N1)C2=NC(=C(C(=O)N2)CCO)C)CCO","GXRKYIIJTLVTQI-UHFFFAOYSA-N","135409152",NA,"PDBC22744","660340","Present"
-"4-(2-Hydroxyethyl)-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxyethyl)-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one","","C1=CC(=CC=C1CC2=NNC(=O)N2CCO)[N+](=O)[O-]","GDFFTURJILHSKS-UHFFFAOYSA-N","389500",NA,"PDBC22745","685786","Present"
-"4-(2-Hydroxyethyl)piperazinyl 9-[(4-{[(5-methylisoxazol-3-yl)amino]sulfonyl}phenyl)amino]acridin-4-yl ketone","","","","","","","","","","","","","","","","","","","","4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO","VCOJUZCFHIIFDT-UHFFFAOYSA-N","370666",NA,"PDBC22746","644042","Present"
-"4-(2-Hydroxynaphthalen-1-yl)naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","NSC628930","","C1=CC=C2C(=C1)C=CC(=C2C3=CC(=O)C(=O)C4=CC=CC=C43)O","CEFYNLRCBQRIBG-UHFFFAOYSA-N","265898",NA,"PDBC22747","628930","Present"
-"4-(2-Hydroxyphenyl)-1,1-diphenyl-3-buten-2-one","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxyphenyl)-1,1-diphenyl-3-buten-2-one","","C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3O","OUNXYUNDPLNWDU-FOCLMDBBSA-N","5779653",NA,"PDBC22748","636799","Present"
-"4-(2-Hydroxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3O)C(=O)NC4=CC=CC=C4C)C)C","GBOXQUZFMSMLSK-UHFFFAOYSA-N","365835",NA,"PDBC22749","633910","Present"
-"4-(2-Hydroxyphenyl)-2-phenyl-1-(2-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxyphenyl)-2-phenyl-1-thiophen-2-ylbutane-1,4-dione","","C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2O)C(=O)C3=CC=CS3","JPGNCOUKNQQTIF-UHFFFAOYSA-N","395485",NA,"PDBC22750","700126","Present"
-"4-(2-Imino-7-methoxychromen-3-yl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","2-amino-4-(3,5,5-trimethyl-2-pyrazolino)-6-(2-imino-7-me...","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C3=CC4=C(C=C(C=C4)OC)OC3=N","MZGWBIFLAYDIFL-UHFFFAOYSA-N","404409",NA,"PDBC22751","720625","Present"
-"4-(2-Iodo(methyl)anilino)-3-methyl-4-oxo-2-butenoic acid","","","","","","","","","","","","","","","","","","","","4-(2-Iodo(methyl)anilino)-3-methyl-4-oxo-2-butenoic acid","","CC(=CC(=O)O)C(=O)N(C)C1=CC=CC=C1I","ZVHBWGUTGJPJDS-BQYQJAHWSA-N","5469950",NA,"PDBC22752","694678","Present"
-"4-(2-Methoxy-1,2-diphenylethyl)morpholine","","","","","","","","","","","","","","","","","","","","4-(2-Methoxy-1,2-diphenylethyl)morpholine","","COC(C1=CC=CC=C1)C(C2=CC=CC=C2)N3CCOCC3","CSUHNZWAYJNJGC-UHFFFAOYSA-N","358999",NA,"PDBC22753","619211","Present"
-"4-(2-Methoxyethylamino)-2,3,4,9-tetrahydrocarbazol-1-one","","","","","","","","","","","","","","","","","","","","4-(2-Methoxyethylamino)-2,3,4,9-tetrahydrocarbazol-1-one","","COCCNC1CCC(=O)C2=C1C3=CC=CC=C3N2","GNUWKYIUQKLQTH-UHFFFAOYSA-N","385081",NA,"PDBC22754","676010","Present"
-"4-(2-Methyl-1,3-dithian-2-yl)dihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","4-(2-Methyl-1,3-dithian-2-yl)dihydro-2(3H)-furanone","","CC1(SCCCS1)C2CC(=O)OC2","CLHPEMRNSBJEBR-UHFFFAOYSA-N","372640",NA,"PDBC22755","648094","Present"
-"4-(2-Methyl-1H-indol-3-yl)-1-phthalazinol","","","","","","","","","","","","","","","","","","","","4-(2-Methyl-1H-indol-3-yl)-1-phthalazinol","","CC1=C(C2=CC=CC=C2N1)C3=NNC(=O)C4=CC=CC=C43","GCFDQGJQJMBUTC-UHFFFAOYSA-N","362926",NA,"PDBC22756","627402","Present"
-"4-(2-Methyl-4-oxo-4H-quinazolin-3-ylamino)-benzoic acid","","","","","","","","","","","","","","","","","","","","4-((2-Methyl-4-oxoquinazolin-3(4H)-yl)amino)benzoic acid","","CC1=NC2=CC=CC=C2C(=O)N1NC3=CC=C(C=C3)C(=O)O","HFQRTKIEGCNSTC-UHFFFAOYSA-N","361911",NA,"PDBC22757","625329","Present"
-"4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one","","","","","","","","","","","","","","","","","","","","2-Methyl-4-(7-methoxy-2-oxo-3,4-dihydroquinoxalin-4(1H)-...","","CC1=NC2=CC=CC=C2C(=N1)N3CC(=O)NC4=C3C=CC(=C4)OC","LTTPRSPHFQPOMT-UHFFFAOYSA-N","71543088",NA,"PDBC22758","786094","Present"
-"4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=C(C=C5Cl)Cl)Cl","YFPQDFKNYCNEGQ-UHFFFAOYSA-N","369454",NA,"PDBC22759","641224","Present"
-"4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(3-(trifluoromethyl)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","2-Naphthalenebutanamide, alpha-,gamma-dioxo-beta-(3-oxo ...","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC(=C5)C(F)(F)F","DJZHPEBBJKDWBL-UHFFFAOYSA-N","369471",NA,"PDBC22760","641241","Present"
-"4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-Naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)butanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=NC(=S)NN5","VFDIEXPTWUSPAD-UHFFFAOYSA-N","3004261",NA,"PDBC22761","641251","Present"
-"4-(2-Naphthyl)-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","4-(2-Naphthyl)-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-oxide","","C1C(NC2=CC=CC=C2S(=O)C1C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4","SHTAJSUELYBWCA-UHFFFAOYSA-N","364779",NA,"PDBC22762","631538","Present"
-"4-(2-Naphthyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","4-(2-Naphthyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5","OTNZACAMARWHAB-UHFFFAOYSA-N","359769",NA,"PDBC22763","621340","Present"
-"4-(2-Naphthyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","4-(2-Naphthyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine 1-oxide","","C1C(S(=O)C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5","ZFLFMNHRGOUSGK-UHFFFAOYSA-N","369427",NA,"PDBC22764","641197","Present"
-"4-(2-Naphthyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine","","","","","","","","","","","","","","","","","","","","4-(2-Naphthyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine","","C1CNC(C2=C1NC=N2)C3=CC4=CC=CC=C4C=C3","WZHSWXWEOLPVRV-UHFFFAOYSA-N","368199",NA,"PDBC22765","638627","Present"
-"4-(2-Naphthylamino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","TimTec1_004495","","C1=CC=C2C=C(C=CC2=C1)NC(=O)CCC(=O)O","LYNFOUMTFFAMAN-UHFFFAOYSA-N","224145",NA,"PDBC22766","12418","Present"
-"4-(2-Naphthylamino)phenol","","","","","","","","","","","","","","","","","","","","p-oxinozon","","C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)O","RACMGQBQYYWANW-UHFFFAOYSA-N","7141",NA,"PDBC22767","15372","Present"
-"4-(2-Nitroimidazol-1-yl)-N-[2-(2-nitroimidazol-1-yl)ethyl]butanamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Nitroimidaozlyl)ethyl]-4-(2-nitroimidazolyl)buta...","","C1=CN(C(=N1)[N+](=O)[O-])CCCC(=O)NCCN2C=CN=C2[N+](=O)[O-]","AEBYPBAGOZEPBI-UHFFFAOYSA-N","373386",NA,"PDBC22768","649613","Present"
-"4-(2-Nitroimidazol-1-yl)-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Nitroimidazol-1-yl)-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]butanamide","","C1=CN(C(=N1)[N+](=O)[O-])CCCC(=O)NCCN2C=NC(=N2)[N+](=O)[O-]","TXWSPLWXNQNCAH-UHFFFAOYSA-N","372714",NA,"PDBC22769","648274","Present"
-"4-(2-Nitroimidazol-1-yl)-N-[2-(4-nitroimidazol-1-yl)ethyl]butanamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-Nitroimidazolyl)ethyl]-4-(2-nitroimidazolyl)buta...","","C1=CN(C(=N1)[N+](=O)[O-])CCCC(=O)NCCN2C=C(N=C2)[N+](=O)[O-]","PHZOEJDOLMYIHZ-UHFFFAOYSA-N","373388",NA,"PDBC22770","649615","Present"
-"4-(2-Nitroimidazol-1-yl)-N-[2-(5-nitroimidazol-1-yl)ethyl]butanamide","","","","","","","","","","","","","","","","","","","","4-(2-Nitroimidazol-1-yl)-N-[2-(5-nitroimidazol-1-yl)ethyl]butanamide","","C1=CN(C(=N1)[N+](=O)[O-])CCCC(=O)NCCN2C=NC=C2[N+](=O)[O-]","UPAXAMPOZYLHQR-UHFFFAOYSA-N","373900",NA,"PDBC22771","650907","Present"
-"4-(2-Nitrophenyl)sulfonylbenzoic acid","","","","","","","","","","","","","","","","","","","","4-(2-Nitrophenyl)sulfonylbenzoic acid","","C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C(=O)O","IAEPEJKRZIOZHQ-UHFFFAOYSA-N","378893",NA,"PDBC22772","662301","Present"
-"4-(2-Oxido-1,3,2-dioxaphospholan-2-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(2-Oxido-1,3,2-dioxaphospholan-2-yl)morpholine","","C1COCCN1P2(=O)OCCO2","XNRNRZPJPOXWLY-UHFFFAOYSA-N","392967",NA,"PDBC22773","694210","Present"
-"4-(2-Oxo-2H-chromen-3-yl)phenyl acetate","","","","","","","","","","","","","","","","","","","","STK643725","","CC(=O)OC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O","HLOFWCHOMFXXRP-UHFFFAOYSA-N","384024",NA,"PDBC22774","673134","Present"
-"4-(2-Oxopropylidene)-1H,3H,5H-benzo[b]1,4-diazepin-2-one","","","","","","","","","","","","","","","","","","","","4-(2-Oxopropylidene)-1H,3H,5H-benzo[b]1,4-diazepin-2-one","","CC(=O)C=C1CC(=O)NC2=CC=CC=C2N1","RCYMCAMDQNXWCC-RMKNXTFCSA-N","5387021",NA,"PDBC22775","619826","Present"
-"4-(2-Propynyloxy)butanoic acid","","","","","","","","","","","","","","","","","","","","4-(Prop-2-yn-1-yloxy)butanoic acid","","C#CCOCCCC(=O)O","UJYCTVUDPGXFLI-UHFFFAOYSA-N","287936",NA,"PDBC22776","148230","Present"
-"4-(2-Pyridinyl)-1-piperazinecarbothioic acid, dihydrochloride","","","","","","","","","","","","","","","","","","","","NSC348977","","CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=N3.Cl","IKTIHHRILHMURF-RANVTSCRSA-N","10248991",NA,"PDBC22777","348977","Present"
-"4-(2-Pyridinyl)-5H-1,3-dithiazole-5-thione","","","","","","","","","","","","","","","","","","","","4-(2-pyridinyl)-5H-1,2,3-dithiazole-5-thione","","C1=CC=NC(=C1)C2=NSSC2=S","ZUIAYOSSPICPCA-UHFFFAOYSA-N","25181424",NA,"PDBC22778","741898","Present"
-"4-(2-Pyridinyl)-N'-(1-(8-quinolinyl)ethylidene)-1-piperazinecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","4-(2-Pyridinyl)-N'-(1-(8-quinolinyl)ethylidene)-1-piperazinecarbothiohydrazide","","CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=CC4=C3N=CC=C4","NGNGDVSSBXKDOU-LFVJCYFKSA-N","9554716",NA,"PDBC22779","363952","Present"
-"4-(2-Pyridinylmethyl)thiomorpholine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","Bionet2_000480","","C1CS(=O)(=O)CCN1CC2=CC=CC=N2","QSMZTYDRYNBYDC-UHFFFAOYSA-N","318461",NA,"PDBC22780","255025","Present"
-"4-(2-Pyridylazo)-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","pada","","CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=N2","IOJNPSPGHUEJAQ-UHFFFAOYSA-N","81528",NA,"PDBC22781","9358","Present"
-"4-(2-Pyridylazo)resorcinol","","","","","","","","","","","","","","","","","","","","(E)-4-(pyridin-2-yldiazenyl)benzene-1,3-diol","","C1=CC=NC(=C1)N=NC2=C(C=C(C=C2)O)O","RJNYNDHYSJRRDW-UHFFFAOYSA-N","65069",NA,"PDBC22782","794455","Present"
-"4-(2-Sulfanylidene-5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidin-4-yl)-5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","4-(2-Sulfanylidene-5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidin-4-yl)-5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2-thione","","C1CCCCCC2=C(CCCC1)C(=NC(=S)N2)C3=NC(=S)NC4=C3CCCCCCCCCC4","KNTDIFHAESKGMR-UHFFFAOYSA-N","3246674",NA,"PDBC22783","372060","Present"
-"4-(2-Tert-butylhydrazino)-5-nitro-2-phenyl-pyridazin-3-one","","","","","","","","","","","","","","","","","","","","4-(2-Tert-butylhydrazino)-5-nitro-2-phenyl-pyridazin-3-one","","CC(C)(C)NNC1=C(C=NN(C1=O)C2=CC=CC=C2)[N+](=O)[O-]","BKTPFPYSXRTFDI-UHFFFAOYSA-N","4585482",NA,"PDBC22784","641820","Present"
-"4-(2-Thiazolylazo)resorcinol","","","","","","","","","","","","","","","","","","","","VZ27697","","C1=CC(=C(C=C1O)O)N=NC2=NC=CS2","SHNIKUXMZFPPCS-UHFFFAOYSA-N","75253",NA,"PDBC22785","298197","Present"
-"4-(2-Thienyl)-1,4,5,6,7,8-hexahydro-2H-3,1-benzothiazin-2-imine","","","","","","","","","","","","","","","","","","","","4-(2-Thienyl)-1,4,5,6,7,8-hexahydro-2H-3,1-benzothiazin-2-imine","","C1CCC2=C(C1)C(SC(=N2)N)C3=CC=CS3","QBDGMOKSCKAVCS-UHFFFAOYSA-N","364669",NA,"PDBC22786","631299","Present"
-"4-(2-Thienyl)-2-thioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5,6-dihydrobenzo[f]isoquinoline-1-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC678047///NSC678048","","C1CC2=C(N(C(=S)C(=C2C3=CC=CC=C31)C#N)C4C(C(C(C(O4)CO)O)O)O)C5=CC=CS5","SIMXXVPFGGJRMS-UHFFFAOYSA-N","386290",NA,"PDBC22787","678047///678048","Present"
-"4-(2-Thienylmethyl)-3-thiophenecarboxylic acid","","","","","","","","","","","","","","","","","","","","09QC6F66RZ","","C1=CSC(=C1)CC2=CSC=C2C(=O)O","JZHLOTURPOOTRC-UHFFFAOYSA-N","288495",NA,"PDBC22788","149707","Present"
-"4-(2-Thioxo-1,3-benzothiazol-3(2H)-yl)-2-butanone","","","","","","","","","","","","","","","","","","","","4-(2-Thioxo-1,3-benzothiazol-3(2H)-yl)-2-butanone","","CC(=O)CCN1C2=CC=CC=C2SC1=S","NHEGPVDYHIPIKV-UHFFFAOYSA-N","376498",NA,"PDBC22789","657442","Present"
-"4-(3,4,4-Trichloro-1-morpholin-4-yl-2-nitrobuta-1,3-dienyl)morpholine","","","","","","","","","","","","","","","","","","","","4-(3,4,4-Trichloro-1-morpholin-4-yl-2-nitrobuta-1,3-dienyl)morpholine","","C1COCCN1C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2CCOCC2","GCCKMFCEGDHXLQ-UHFFFAOYSA-N","379893",NA,"PDBC22790","665085","Present"
-"4-(3,4,5-Trihydroxyphenyl)-2(5H)-fur anone","","","","","","","","","","","","","","","","","","","","4-(3,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)-2(5H)...","","C1C(=C(C(=O)O1)C2=CC(=C(C(=C2)O)O)O)C3=CC(=C(C=C3)O)O","AEHZEVFSVXFCIV-UHFFFAOYSA-N","10881608",NA,"PDBC22791","726247","Present"
-"4-(3,4,5-Trimethoxyphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-1,2,3-triazole","","","","","","","","","","","","","","","","","","","","5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(3,4,5-trimeth...","","COC1=CC(=CC(=C1OC)OC)C2=NNN=C2C3=CC4=C(C=C3)OCCO4","PMKMQVFQXFSHII-UHFFFAOYSA-N","59430385",NA,"PDBC22792","777407","Present"
-"4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide","","","","","","","","","","","","","","","","","","","","4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC(=C(C=C4Cl)Cl)Cl","JYMQPWGVQUZVFK-UHFFFAOYSA-N","370942",NA,"PDBC22793","644747","Present"
-"4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(3-(trifluoromethyl)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F","KFNAOMPDUGIGJS-UHFFFAOYSA-N","370988",NA,"PDBC22794","644794","Present"
-"4-(3,4-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(3,4-Dichlorophenyl)-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC(=C(C=C3)Cl)Cl)C(=O)NC4=CC=CC=C4C)C)C","PDVFDTUKIBBBPV-UHFFFAOYSA-N","365833",NA,"PDBC22795","633908","Present"
-"4-(3,4-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(3,4-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)NC4=CC=CC=C4","ITXYXQFUYZYHKQ-UHFFFAOYSA-N","366165",NA,"PDBC22796","634492","Present"
-"4-(3,4-Dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (2)","","","","","","","","","","","","","","","","","","","","4-(3,4-Dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile","","C1=CC(=C(C=C1C2C(C(=O)NC(=O)C2C#N)C#N)Cl)Cl","FKRWRZZGZMUCSG-UHFFFAOYSA-N","331439",NA,"PDBC22797","323918","Present"
-"4-(3,4-Dichlorophenyl)-2-(4-fluorophenyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione","","","","","","","","","","","","","","","","","","","","4-(3,4-Dichlorophenyl)-2-(4-fluorophenyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione","","C1C(NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N=C1C5=CC=C(C=C5)F)C6=CC(=C(C=C6)Cl)Cl","KVXHCTRHRDGXCS-UHFFFAOYSA-N","369429",NA,"PDBC22798","641199","Present"
-"4-(3,4-Dichlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","4-(3,4-Dichlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine","","CC1CC(=NC2=CC=CC=C2S1)C3=CC(=C(C=C3)Cl)Cl","UGIBDKTZOZBQLX-UHFFFAOYSA-N","367047",NA,"PDBC22799","636375","Present"
-"4-(3,4-Dichlorophenyl)-N-(3-hydroxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(3,4-Dichlorophenyl)-N-(3-hydroxyphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC(=CC=C4)O","ZPGSJKQHAAINEI-UHFFFAOYSA-N","370948",NA,"PDBC22800","644753","Present"
-"4-(3,4-Dichlorophenylazo)-2-[(dimethylamino)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-(3,4-Dichlorophenylazo)-2-[(dimethylamino)methyl]phenol","","CN(C)CC1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)Cl)Cl)O","OJWIYISCKKCUHB-UHFFFAOYSA-N","384373",NA,"PDBC22801","674082","Present"
-"4-(3,4-Diimino-1,6-diphenylhexahydropyrazolo[3,4-c]pyrazol-6a(1H)-yl)nicotinic acid","","","","","","","","","","","","","","","","","","","","4-(3,4-Diimino-1,6-diphenylhexahydropyrazolo[3,4-c]pyrazol-6a(1H)-yl)nicotinic acid","","C1=CC=C(C=C1)N2C3(C(C(=N2)N)C(=NN3C4=CC=CC=C4)N)C5=C(C=NC=C5)C(=O)O","VTPMRQTZEYVWBF-UHFFFAOYSA-N","389480",NA,"PDBC22802","685688","Present"
-"4-(3,4-Dimethoxybenzyl)-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","","","","","","","","","","","","","","","","","","","4-(3,4-Dimethoxybenzyl)-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","COC1=C(C=C(C=C1)CC2CC3=CC=CC=C3CC(=O)N2)OC","NISMXJKFRUYLNV-UHFFFAOYSA-N","390039",NA,"PDBC22803","686953","Present"
-"4-(3,4-Dimethoxyphenyl)-1-((3,4-dimethoxyphenyl)(hydroxy)methyl)-3-butynyl hexopyranoside","","","","","","","","","","","","","","","","","","","","2-[1,5-Bis(3,4-dimethoxyphenyl)-1-hydroxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","","COC1=C(C=C(C=C1)C#CCC(C(C2=CC(=C(C=C2)OC)OC)O)OC3C(C(C(C(O3)CO)O)O)O)OC","IKIFYAWQFDKTCM-UHFFFAOYSA-N","367863",NA,"PDBC22804","638030","Present"
-"4-(3,4-Dimethoxyphenyl)-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile","","","","","","","","","","","","","","","","","","","","4-(3,4-Dimethoxyphenyl)-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile","","COC1=C(C=C(C=C1)C2C(=C(NC(=C2C#N)O)O)C#N)OC","YKERMBWCXWSFKR-UHFFFAOYSA-N","366845",NA,"PDBC22805","635822","Present"
-"4-(3,4-Dimethoxyphenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","4-(3,4-Dimethoxyphenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine","","CC1CC(=NC2=CC=CC=C2S1)C3=CC(=C(C=C3)OC)OC","VPZLURDTWPWZGJ-UHFFFAOYSA-N","367360",NA,"PDBC22806","636999","Present"
-"4-(3,4-Dimethoxyphenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","5H-Pyrido[3,2-d][2]benzazepin-6(7H)-one, 4-(3,4-dimethox...","","COC1=C(C=C(C=C1)C2=CC(=NC3=C2CC(=O)NC4=CC=CC=C43)C5=CC=CC=C5)OC","SGZJSYXKEGHHMW-UHFFFAOYSA-N","388201",NA,"PDBC22807","682769","Present"
-"4-(3,4-Dimethoxyphenyl)-5-(benzo[b]thiophene-3-yl)-2H-1,2,3-triazole","","","","","","","","","","","","","","","","","","","","4-(benzo[b]thiophen-3-yl)-5-(3,4-dimethoxyphenyl)-2H-1,2...","","COC1=C(C=C(C=C1)C2=NNN=C2C3=CSC4=CC=CC=C43)OC","SBLFWQKDQRUDID-UHFFFAOYSA-N","122372469",NA,"PDBC22808","781599","Present"
-"4-(3,4-Dimethylphenyl)butanoic acid","","","","","","","","","","","","","","","","","","","","ABMVUAWFTZKZDV-UHFFFAOYSA-N","","CC1=C(C=C(C=C1)CCCC(=O)O)C","ABMVUAWFTZKZDV-UHFFFAOYSA-N","231992",NA,"PDBC22809","28992","Present"
-"4-(3,4-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-(3,4-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol","","CC1=C(C=C(C=C1)N=NC2=CC(=C(C=C2)O)CN(C)C)C","HXPYFGPIBVNFIY-UHFFFAOYSA-N","384368",NA,"PDBC22810","674078","Present"
-"4-(3,5-Di-tert-butylphenoxy)phthalonitrile","","","","","","","","","","","","","","","","","","","","4-(3,5-Di-tert-butylphenoxy)phthalonitrile","","CC(C)(C)C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C#N)C#N)C(C)(C)C","YLBBICDJFMVMNR-UHFFFAOYSA-N","371802",NA,"PDBC22811","646247","Present"
-"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxo-2-butenoic acid","","","","","","","","","","","","","","","","","","","","4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxo-2-butenoic acid","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C=CC(=O)O","KGFHMFSOQMFJEI-KOJGVXFKSA-N","5386793",NA,"PDBC22812","617768","Present"
-"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)CCC(=O)O","DLGHSYFVUXHNFI-IWGRKNQJSA-N","5387025",NA,"PDBC22813","619905","Present"
-"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid methyl ester","","COC(=O)CCC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","NNSMQURZKUOLIF-OZNQKUEASA-N","5387026",NA,"PDBC22814","619906","Present"
-"4-(3,5-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(3,5-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC(=CC(=C3)Cl)Cl)C(=O)NC4=CC=CC=C4","SWULTTFXQXRFNC-UHFFFAOYSA-N","364807",NA,"PDBC22815","631565","Present"
-"4-(3,5-Dinitropyridin-2-yl)sulfanylpyrimidine","","","","","","","","","","","","","","","","","","","","4-(3,5-Dinitropyridin-2-yl)sulfanylpyrimidine","","C1=CN=CN=C1SC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]","DLXRYNHQBUMSAE-UHFFFAOYSA-N","100519",NA,"PDBC22816","311725","Present"
-"4-(3,5-Trimethoxyphenyl)-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone","","","","","","","","","","","","","","","","","","","","4-(3,4,5-trimethoxyphenyl)-1-3-[(E)-3-(3,4,5-trimethoxyp...","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC(=C(C(=C4)OC)OC)OC","ROYJLAPNOPZWGK-ZHACJKMWSA-N","49862041",NA,"PDBC22817","750331","Present"
-"4-(3,5-diamino-1h-pyrazol-4-ylazo)-phenol","","","","","","","","","","","","","","","","","","","","4-(3,5-diamino-1h-pyrazol-4-ylazo)-phenol","","C1=CC(=CC=C1N=NC2=C(NN=C2N)N)O","AYZRKFOEZQBUEA-UHFFFAOYSA-N","135398514",NA,"PDBC22818","741614","Present"
-"4-(3-((2-((2-((1-Benzyl-2-hydrazino-2-oxoethyl)amino)-2-oxoethyl)amino)-1-methyl-2-oxoethyl)amino)-2-((tert-butoxycarbonyl)amino)-3-oxopropyl)phenyl benzoate","","","","","","","","","","","","","","","","","","","","[4-[3-[[1-[[2-[(1-Hydrazinyl-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] benzoate","","CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NN)NC(=O)C(CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C","YXJRICXAHUTPCI-UHFFFAOYSA-N","382345",NA,"PDBC22819","669814","Present"
-"4-(3-(4,2-Dimethyl-1,3,5-triazin-1(2H)-yl)benzamido)benzene-1-sulfonyl fluoride hydrochloride","","","","","","","","","","","","","","","","","","","","4-(3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)be...","","CC1(N=C(N=C(N1C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C.Cl","UZAKGIYDWJJDBO-UHFFFAOYSA-N","456153",NA,"PDBC22820","113909","Present"
-"4-(3-(4-((2,2-Dimethylpropanoyl)oxy)phenyl)acryloyl)phenyl pivalate","","","","","","","","","","","","","","","","","","","","4-(3-(4-((2,2-Dimethylpropanoyl)oxy)phenyl)acryloyl)phenyl pivalate","","CC(C)(C)C(=O)OC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C","KONHQEPVIJRSJM-CXUHLZMHSA-N","5468262",NA,"PDBC22821","666765","Present"
-"4-(3-(4-Hydroxy-3-methoxyphenyl)-1H-pyrazol-4-yl)-N-(2-(hydroxy(oxido)amino)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","4-(3-(4-Hydroxy-3-methoxyphenyl)-1H-pyrazol-4-yl)-N-(2-(hydroxy(oxido)amino)phenyl)butanamide","","COC1=C(C=CC(=C1)C2=C(C=NN2)CCCC(=O)NC3=CC=CC=C3[N+](=O)[O-])O","MXPQGXFDMKBWKG-UHFFFAOYSA-N","360348",NA,"PDBC22822","622396","Present"
-"4-(3-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)butoxy)-7H-furo[3,2-g]chromen-7-one","","","","","","","","","","","","","","","","","","","","4-(3-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)butoxy)-7H-furo[3,2-g]chromen-7-one","","CC(CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C4=CC(=O)C(O4)(C)C","VNIZVGJYFGDOPC-UHFFFAOYSA-N","383709",NA,"PDBC22823","672135","Present"
-"4-(3-(8-(6-(4-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol","","","","","","","","","","","","","","","","","","","","4-(3-(8-(6-(4-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol","","C1=CC(=CC=C1C2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)C6=CC=C(C=C6)O)O","AQGMQVSZDGRING-UHFFFAOYSA-N","395666",NA,"PDBC22824","700448","Present"
-"4-(3-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-phenylbutanamide","","","","","","","","","","","","","","","","","","","","4-(3-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-phenylbutanamide","","C1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]","NXDWXBACIUIESD-UHFFFAOYSA-N","364945",NA,"PDBC22825","631831","Present"
-"4-(3-(Hydroxy(oxido)amino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-3-N,5-N-bis(4-methylphenyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C)C)C","AISLSFVIKGFDPP-UHFFFAOYSA-N","367775",NA,"PDBC22826","637714","Present"
-"4-(3-(Hydroxy(oxido)amino)phenyl)-2,6-dimethyl-N~3~-(2-(trifluoromethyl)phenyl)-N~5~-(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-4-(3-nitrophenyl)-3-N-[2-(trifluoromethyl)phenyl]-5-N-(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4C(F)(F)F","SBJTZNGUVJEMCI-UHFFFAOYSA-N","367688",NA,"PDBC22827","637619","Present"
-"4-(3-(Hydroxy(oxido)amino)phenyl)-6-imino-1-isonicotinoyl-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazine","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl- 4-(3-n...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=NC=C4","JDOXJLFDSKNDBS-UHFFFAOYSA-N","376866",NA,"PDBC22828","657985","Present"
-"4-(3-(Hydroxy(oxido)amino)phenyl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-4-(3-nitrophenyl)-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","DOZNTYBHQGVLNT-UHFFFAOYSA-N","367764",NA,"PDBC22829","637703","Present"
-"4-(3-(Isopropoxycarbonyl)-3-isopropyl-2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-(3-(Isopropoxycarbonyl)-3-isopropyl-2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid","","CC(C)C1(CCC2=C1C=C(C=C2)C(=O)CCC(=O)O)C(=O)OC(C)C","SEASYCNKXATQIM-UHFFFAOYSA-N","380771",NA,"PDBC22830","666481","Present"
-"4-(3-(Methyl(3-(2-(pyren-1-yl)acetamido)propyl)ammonio)propylamino)-2-(naphthalen-2-yl)quinolinium bromide","","","","","","","","","","","","","","","","","","","","4-(3-(methyl(3-(2-(pyren-1-yl)acetamido)propyl)ammonio)p...","","CN(CCCNC1=CC(=NC2=CC=CC=C21)C3=CC4=CC=CC=C4C=C3)CCCNC(=O)CC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5.Br","CZUMJNCEYFYERH-UHFFFAOYSA-N","54613691",NA,"PDBC22831","749672","Present"
-"4-(3-Amino-2-thienyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-(3-Amino-2-thienyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C3=C(C=CS3)N","UJMSNGZNLGSIND-UHFFFAOYSA-N","397063",NA,"PDBC22832","704347","Present"
-"4-(3-Amino-3-oxopropyl)-4-nitroheptanediamide","","","","","","","","","","","","","","","","","","","","4-(3-Amino-3-oxopropyl)-4-nitroheptanediamide","","C(CC(CCC(=O)N)(CCC(=O)N)[N+](=O)[O-])C(=O)N","LVCNPMHPTHQPPD-UHFFFAOYSA-N","387107",NA,"PDBC22833","680503","Present"
-"4-(3-Anilino-5-methyl-4-((4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)diazenyl)-1H-pyrazol-1-yl)-N-(4-pyrimidinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[3-Anilino-5-methyl-1-[4-(pyrimidin-4-ylsulfamoyl)phenyl]pyrazol-4-yl]diazenyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N(N=C3NC4=CC=CC=C4)C5=CC=C(C=C5)S(=O)(=O)NC6=NC=NC=C6)C","ZKACPEZNSSVIGA-UHFFFAOYSA-N","392007",NA,"PDBC22834","691806","Present"
-"4-(3-Benzyl-4,9-dioxobenzo[f]benzimidazol-2-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","4-(1-Benzyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)butanoic acid","","C1=CC=C(C=C1)CN2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCCC(=O)O","YUPPFNMPLOTOGI-UHFFFAOYSA-N","382880",NA,"PDBC22835","670757","Present"
-"4-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyldiazinane-3,6-dione","","","","","","","","","","","","","","","","","","","","4-[(3-Benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]tetrahydropyridazine-3,6-dione","","C1C(C(=O)NNC1=O)SC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4","VDOVNXNVLFLZKM-UHFFFAOYSA-N","402050",NA,"PDBC22836","715745","Present"
-"4-(3-Bromoanilino)-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","4-[(3-Bromophenyl)amino]-6,8-dihydro-5h-benzothiopheno[2,3-d]pyrimidin-7-one","","C1CC2=C(CC1=O)SC3=NC=NC(=C23)NC4=CC(=CC=C4)Br","ZFINZRABKPXRDG-UHFFFAOYSA-N","396715",NA,"PDBC22837","703324","Present"
-"4-(3-Bromoanilino)naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","4-[(3-Bromophenyl)amino]naphthalene-1,2-dione","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC(=CC=C3)Br","SYFXQNRVMLCRPZ-UHFFFAOYSA-N","272559",NA,"PDBC22838","117015","Present"
-"4-(3-Bromophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one","","","","","","","","","","","","","","","","","","","","4-(3-Bromophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one","","CC1=CC(=C(C=C1)O)C2=CC3=NNC(=O)C3C(C2)C4=CC(=CC=C4)Br","GVBRBUVRHJSWLW-UHFFFAOYSA-N","403652",NA,"PDBC22839","718720","Present"
-"4-(3-Bromophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydroindazol-3-one","","","","","","","","","","","","","","","","","","","","4-(3-Bromophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydro-3h-indazol-3-one","","C1C(C2C(=NNC2=O)C=C1C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br","VILJUNOYFPAACM-UHFFFAOYSA-N","403651",NA,"PDBC22840","718719","Present"
-"4-(3-Carboxy-quinoxalin-2-yl)-oxyphenylacetyl acid","","","","","","","","","","","","","","","","","","","","4-(3-carboxy-quinoxalin-2-yl)-oxyphenylacetyl acid","","C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)CC(=O)O)C(=O)O","ZIZCJUGHKARBLM-UHFFFAOYSA-N","405748",NA,"PDBC22841","723322","Present"
-"4-(3-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","","","","","","","","","","","","","","","","","","","4-(3-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","C1=CC=C2C(=C1)C3=C(C2=O)NC(=S)NC3C4=CC(=CC=C4)Cl","AHJDWGICCNYELV-UHFFFAOYSA-N","3001710",NA,"PDBC22842","641181","Present"
-"4-(3-Chlorophenyl)-3-thiosemicarbazide","","","","","","","","","","","","","","","","","","","","4-Cptsc","","C1=CC(=CC(=C1)Cl)NC(=S)NN","YUSLJYYTYKWSHL-UHFFFAOYSA-N","707050",NA,"PDBC22843","132373","Present"
-"4-(3-Chlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one","","","","","","","","","","","","","","","","","","","","4-(3-Chlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one","","CC1=CC(=C(C=C1)O)C2=CC3=NNC(=O)C3C(C2)C4=CC(=CC=C4)Cl","MVTXBXOUQKHDCY-UHFFFAOYSA-N","403641",NA,"PDBC22844","718709","Present"
-"4-(3-Chlorophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydroindazol-3-one","","","","","","","","","","","","","","","","","","","","4-(3-Chlorophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydro-3h-indazol-3-one","","C1C(C2C(=NNC2=O)C=C1C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Cl","NEFBVFIRHDIGMR-UHFFFAOYSA-N","403640",NA,"PDBC22845","718708","Present"
-"4-(3-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-(3-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl","FBIRJRUUDIMELI-UHFFFAOYSA-N","24203845",NA,"PDBC22846","729781","Present"
-"4-(3-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-(3-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl","JLNLXMDMJCOELG-UHFFFAOYSA-N","24203775",NA,"PDBC22847","729476","Present"
-"4-(3-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-(3-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol","","CN(C)CC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)Cl)O","BGXQXXGWRMMVPZ-UHFFFAOYSA-N","384363",NA,"PDBC22848","674073","Present"
-"4-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5-b]carbazole","","","","","","","","","","","","","","","","","","","","4-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5...","","CCN(CC)CCCNC1=C2C(=C3C(=C4C=CC=CC4=N3)C=C2C=NN1)C","GOSNSUDBFLXOEB-UHFFFAOYSA-N","393110",NA,"PDBC22849","694498","Present"
-"4-(3-Hydroxy-4-methyltetrahydro-2-furanyl)-1H-pyrazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-(3-Hydroxy-4-methyltetrahydro-2-furanyl)-1H-pyrazole-5-carboxamide","","CC1COC(C1O)C2=C(NN=C2)C(=O)N","WIMCSOBDEKGVSG-UHFFFAOYSA-N","354381",NA,"PDBC22850","606026","Present"
-"4-(3-Hydroxy-5-(4-methoxybenzyl)-6-(4-methylphenyl)-4-pyridazinyl)-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[3-Hydroxy-5-[(4-methoxyphenyl)methyl]-6-(p-tolyl)pyridazin-4-yl]-2,5-diphenyl-4H-pyrazol-3-one","","CC1=CC=C(C=C1)C2=NNC(=O)C(=C2CC3=CC=C(C=C3)OC)C4C(=NN(C4=O)C5=CC=CC=C5)C6=CC=CC=C6","DGPNAGOQMBQMMR-UHFFFAOYSA-N","381565",NA,"PDBC22851","668354","Present"
-"4-(3-Hydroxybenzoyl)dihydro-2,3-furandione","","","","","","","","","","","","","","","","","","","","4-(3-Hydroxybenzoyl)dihydro-2,3-furandione","","C1C(C(=O)C(=O)O1)C(=O)C2=CC(=CC=C2)O","RDKHDLPQRQQJRO-UHFFFAOYSA-N","366924",NA,"PDBC22852","636088","Present"
-"4-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-4-oxo-N-(3-(trifluoromethyl)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","4-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-4-oxo-N-(3-(trifluoromethyl)phenyl)butanamide","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F","MJCNCWNBFJHLRO-UHFFFAOYSA-N","364931",NA,"PDBC22853","631817","Present"
-"4-(3-Iodo-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","4-(3-iodo-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyp...","","COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)I","GQLZEGISXUQXLP-UHFFFAOYSA-N","155811936",NA,"PDBC22854","792957","Present"
-"4-(3-Methoxybenzyl)-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","","","","","","","","","","","","","","","","","","","4-(3-Methoxybenzyl)-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one","","COC1=CC=CC(=C1)CC2CC3=CC=CC=C3CC(=O)N2","YYGHAFWEGACSOK-UHFFFAOYSA-N","392597",NA,"PDBC22855","693140","Present"
-"4-(3-Methoxybenzylidene)-5-methyl-2-(phenylacetyl)-2,4-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-(3-Methoxybenzylidene)-5-methyl-2-(phenylacetyl)-2,4-dihydro-3H-pyrazol-3-one","","CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OC)C(=O)CC3=CC=CC=C3","QXBSOYGWZPWBRH-PDGQHHTCSA-N","5467438",NA,"PDBC22856","652204","Present"
-"4-(3-Methoxyphenyl)-3-methyl-1-(phenylacetyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-1- (phe...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)OC)C(=O)CC4=CC=CC=C4","KJLLWYMQZCLADK-UHFFFAOYSA-N","376462",NA,"PDBC22857","657376","Present"
-"4-(3-Methyl-1,4-dioxidoquinoxalin-2-yl)-N-(4-methylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-1,4-dioxidoquinoxalin-2-yl)-N-(4-methylphenyl)-2,4-dioxobutanamide","","CC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","PUQRCJXHWPCFHY-UHFFFAOYSA-N","364315",NA,"PDBC22858","630333","Present"
-"4-(3-Methyl-1-benzothien-2-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-1-benzothien-2-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine","","CC1=C(SC2=CC=CC=C12)C3CCSC4=CC=CC=C4N3","JDYSYXHOCWYBBL-UHFFFAOYSA-N","376280",NA,"PDBC22859","656994","Present"
-"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]butanamide","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]butanamide","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC=CC=C3C(F)(F)F","JFOHRKPZPBUCKX-UHFFFAOYSA-N","364310",NA,"PDBC22860","630328","Present"
-"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F","GMENEGNMIFTQKH-UHFFFAOYSA-N","364337",NA,"PDBC22861","630352","Present"
-"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)-2,4-dioxobutanamide","","CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","ICJVDDUMKKDRHG-UHFFFAOYSA-N","364338",NA,"PDBC22862","630353","Present"
-"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide","","CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","ZHRXTRYEPZZNGQ-UHFFFAOYSA-N","367752",NA,"PDBC22863","637691","Present"
-"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-(2-(trifluoromethyl)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-(2-(trifluoromethyl)phenyl)butanamide","","CC1=C(SC2=CC=CC=C2N1)C(=O)CC(=O)C(=O)NC3=CC=CC=C3C(F)(F)F","QSLYFLOUBRBPPU-UHFFFAOYSA-N","360993",NA,"PDBC22864","623725","Present"
-"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-phenylbutanamide","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-phenylbutanamide","","CC1=C(SC2=CC=CC=C2N1)C(=O)CC(=O)C(=O)NC3=CC=CC=C3","WAUONNIQZHLJNX-UHFFFAOYSA-N","366676",NA,"PDBC22865","635393","Present"
-"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide","","CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","ZSMZNLSBPTYCIF-UHFFFAOYSA-N","366971",NA,"PDBC22866","636133","Present"
-"4-(3-Methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-imidazo[4,5-d]pyridazine","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-imidazo[4,5-d]pyridazine","","CN1C=NC(=C1SC2=C3C(=CN=N2)NC=N3)[N+](=O)[O-]","SZNHZVMZRNSWNG-UHFFFAOYSA-N","5469592",NA,"PDBC22867","690581","Present"
-"4-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylazo)-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylazo)-benzenesulfonamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3","TZERFUCXCBLOGZ-UHFFFAOYSA-N","271030",NA,"PDBC22868","114414","Present"
-"4-(3-Methylmorpholin-4-yl)but-2-ynyl 2-oxochromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","4-(3-Methylmorpholin-4-yl)but-2-ynyl 2-oxochromene-3-carboxylate","","CC1COCCN1CC#CCOC(=O)C2=CC3=CC=CC=C3OC2=O","XVEZHVVHHBJUAO-UHFFFAOYSA-N","45027951",NA,"PDBC22869","740250","Present"
-"4-(3-Nitro-2-bicyclo[2.2.1]hept-5-enyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(3-Nitro-2-bicyclo[2.2.1]hept-5-enyl)benzoic acid","","C1C2C=CC1C(C2C3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]","DLPJQIWPJSUYRD-UHFFFAOYSA-N","370365",NA,"PDBC22870","643428","Present"
-"4-(3-Nitro-phenyl)-N-(4-nitro-thiazol-2-yl)-2,4-dioxo-butyramide","","","","","","","","","","","","","","","","","","","","4-(3-Nitro-phenyl)-N-(4-nitro-thiazol-2-yl)-2,4-dioxo-butyramide","","C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC(=O)C(=O)NC2=NC(=CS2)[N+](=O)[O-]","GXUNGXWPKYTECE-UHFFFAOYSA-N","364958",NA,"PDBC22871","631844","Present"
-"4-(3-Nitrophenyl)-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-(3-Nitrophenyl)-3-phenyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2C3=CC(=CC=C3)[N+](=O)[O-]","OXVIHOQMOJFZFR-UHFFFAOYSA-N","385480",NA,"PDBC22872","676716","Present"
-"4-(3-Oxo-1,3-diphenylpropyl)-3,4-dihydro-1H-1-benzazepine-2,5-dione","","","","","","","","","","","","","","","","","","","","4-(3-Oxo-1,3-diphenylpropyl)-3,4-dihydro-1H-1-benzazepine-2,5-dione","","C1C(C(=O)C2=CC=CC=C2NC1=O)C(CC(=O)C3=CC=CC=C3)C4=CC=CC=C4","VWBKGSBRCKPOCA-UHFFFAOYSA-N","384147",NA,"PDBC22873","673434","Present"
-"4-(3-Oxo-1,4-benzothiazin-4-yl)butyl acetate","","","","","","","","","","","","","","","","","","","","4-(3-Oxo-1,4-benzothiazin-4-yl)butyl acetate","","CC(=O)OCCCCN1C(=O)CSC2=CC=CC=C21","JGOSFPXJWMUXRC-UHFFFAOYSA-N","393356",NA,"PDBC22874","695152","Present"
-"4-(3-Oxo-2,3-diphenyl-1-propenyl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-[(E)-3-oxo-2,3-diphenyl-prop-1-enyl]benzonitrile","","C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3","QVERZGUSXAQUEQ-RCCKNPSSSA-N","5466802",NA,"PDBC22875","643134","Present"
-"4-(3-Phenanthryl)butanoic acid","","","","","","","","","","","","","","","","","","","","3-Phenanthrenebutyric acid","","C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCCC(=O)O","NYIVWTWKIQOBKO-UHFFFAOYSA-N","96904",NA,"PDBC22876","92828","Present"
-"4-(3-Phenoxyphenoxy)phthalonitrile","","","","","","","","","","","","","","","","","","","","4-(3-Phenoxyphenoxy)phthalonitrile","","C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=C(C=C3)C#N)C#N","UDRBBLYLQBOFSK-UHFFFAOYSA-N","371804",NA,"PDBC22877","646249","Present"
-"4-(3-Phenyl-2H-chromen-2-yl)morpholine","","","","","","","","","","","","","","","","","","","","AN-308/15495010","","C1COCCN1C2C(=CC3=CC=CC=C3O2)C4=CC=CC=C4","HIDJPVBIHSZJCH-UHFFFAOYSA-N","378275",NA,"PDBC22878","660231","Present"
-"4-(3-Phenylazoquinoxalin-2-yl)butanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-(3-phenylazoquinoxalin-2-yl)butanoate","","COC(=O)CCCC1=NC2=CC=CC=C2N=C1N=NC3=CC=CC=C3","NHCOFAMCMOWFPF-UHFFFAOYSA-N","396647",NA,"PDBC22879","703161","Present"
-"4-(3-Phenylquinoxalin-2-yl)-oxyphenylacetic acid","","","","","","","","","","","","","","","","","","","","4-(3-phenylquinoxalin-2-yl)-oxyphenylacetic acid","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)CC(=O)O","FWJUJPWPCHZQFF-UHFFFAOYSA-N","405750",NA,"PDBC22880","723324","Present"
-"4-(3-Phenylquinoxalin-2-yl)oxybenzonitrile","","","","","","","","","","","","","","","","","","","","4-(3-Phenylquinoxalin-2-yl)oxybenzonitrile","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)C#N","XSOJDSBNQPWREU-UHFFFAOYSA-N","386967",NA,"PDBC22881","680194","Present"
-"4-(3-Pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline","","","","","","","","","","","","","","","","","","","","4-(3-Pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline","","C1=CC=C2C(=C1)N3C=CC=C3C(N2S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C5=CN=CC=C5","UAZQZAONUXSURN-UHFFFAOYSA-N","328919",NA,"PDBC22882","309883","Present"
-"4-(3-Thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(3-Thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=CS4)C5=CC=C(C=C5)S(=O)(=O)N","UKMPQSFMFAXXFL-UHFFFAOYSA-N","24204664",NA,"PDBC22883","732416","Present"
-"4-(3-Thioxo-3H-1,2-dithiol-4-yl)-5,6-dihydro-4H-1,2,7-trithia-4-aza-3H-indene-3-thione","","","","","","","","","","","","","","","","","","","","4-(3-Thioxodithiol-4-yl)-5,6-dihydrodithiolo[5,4-b][1,4]thiazine-3-thione","","C1CSC2=C(N1C3=CSSC3=S)C(=S)SS2","YMPRJLUPPXRQIH-UHFFFAOYSA-N","398473",NA,"PDBC22884","708376","Present"
-"4-(3-{1-[2-(Dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)-N,N,5,6-tetramethyl-2-pyrimidinamine","","","","","","","","","","","","","","","","","","","","4-(3-{1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)...","","CC1=C(N=C(N=C1C2=CC=CC(=C2)C3=NN(C=C3)CCN(C)C)N(C)C)C","SVOZAMOPQXHFML-UHFFFAOYSA-N","30876879",NA,"PDBC22885","765369","Present"
-"4-(3H-Imidazo[1,5-a]benzimidazol-2-ium-2-yl)benzoic acid;chloride","","","","","","","","","","","","","","","","","","","","4-(3H-Imidazo[1,5-a]benzimidazol-2-ium-2-yl)benzoic acid;chloride","","C1C2=NC3=CC=CC=C3N2C=[N+]1C4=CC=C(C=C4)C(=O)O.[Cl-]","IBILBWUILGXFME-UHFFFAOYSA-N","5351839",NA,"PDBC22886","59413","Present"
-"4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)benzoic acid","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)C(=O)O","LIASFHOMYOABMV-UHFFFAOYSA-N","386250",NA,"PDBC22887","677993","Present"
-"4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl acetate","","","","","","","","","","","","","","","","","","","","4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl acetate","","CC(=O)OC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2","KOVSNYGBSNCEGB-UHFFFAOYSA-N","384820",NA,"PDBC22888","675272","Present"
-"4-(3a,4-Dihydro-3-(2-thienyl)-3h-indeno[1,2-c]pyrazol-2-yl)-benzene-sulfonamide","","","","","","","","","","","","","","","","","","","","4-(3-Thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CS5","MPPNHFUJLAPHKV-UHFFFAOYSA-N","24204638",NA,"PDBC22889","732390","Present"
-"4-(4'-Hydroxyphenyl)diazenylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxy-phenylazo)-benzenesulfonamide","","C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)O","IPPFWRRJWLCWGK-UHFFFAOYSA-N","404195",NA,"PDBC22890","720346","Present"
-"4-(4'-Oxo-2'-phenyl-spiro[1,5-dihydropyrazole-4,3'-chromane]-5-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(4'-Oxo-2'-phenylspiro[1,5-dihydropyrazole-4,3'-2H-chromene]-5-yl)benzonitrile","","C1=CC=C(C=C1)C2C3(C=NNC3C4=CC=C(C=C4)C#N)C(=O)C5=CC=CC=C5O2","FXGGGUCPVLDNJM-UHFFFAOYSA-N","383725",NA,"PDBC22891","672154","Present"
-"4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-methoxy-4-(4-methyl-3-pentenyl)-1(4H)-naphthalenone","","","","","","","","","","","","","","","","","","","","4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-methoxy-4-(4-methyl-3-pentenyl)-1(4H)-naphthalenone","","CC(=CCCC1(C2=CC=CC=C2C(=O)C=C1OC)C3=NC(CO3)(C)C)C","CMYGYVHGWGMFGP-UHFFFAOYSA-N","370788",NA,"PDBC22892","644311","Present"
-"4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-phenyl-5-((phenylsulfinyl)methyl)isoxazole","","","","","","","","","","","","","","","","","","","","4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-phenyl-5-((phenylsulfinyl)methyl)isoxazole","","CC1(COC(=N1)C2=C(ON=C2C3=CC=CC=C3)CS(=O)C4=CC=CC=C4)C","YJIQVCOGDCQHOW-UHFFFAOYSA-N","373599",NA,"PDBC22893","650160","Present"
-"4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-isopropyl-3-methoxy-4-methyl-1(4H)-naphthalenone","","","","","","","","","","","","","","","","","","","","4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-isopropyl-3-methoxy-4-methyl-1(4H)-naphthalenone","","CC(C)C1=CC2=C(C=C1)C(=O)C=C(C2(C)C3=NC(CO3)(C)C)OC","SXVTZUIOZUWBMW-UHFFFAOYSA-N","370785",NA,"PDBC22894","644308","Present"
-"4-(4,5-Dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)-5-phenyl-triazole","","","","","","","","","","","","","","","","","","","","4-(4,5-Dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazole","","C1CN=C(N1)C2=C(N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","BEMBFLDWGZLMRT-UHFFFAOYSA-N","371076",NA,"PDBC22895","645022","Present"
-"4-(4,5-Dihydro-1H-imidazol-2-yl)-5-(4-methoxyphenyl)-1-phenyl-1H-1,2,3-triazole","","","","","","","","","","","","","","","","","","","","4-(4,5-Dihydro-1H-imidazol-2-yl)-5-(4-methoxyphenyl)-1-phenyl-1H-1,2,3-triazole","","COC1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)C4=NCCN4","FUULVDJWGNTKGT-UHFFFAOYSA-N","371081",NA,"PDBC22896","645027","Present"
-"4-(4,5-Dinitro-1H-imidazol-2-yl)-2-methyl-1,3-thiazole","","","","","","","","","","","","","","","","","","","","4-(4,5-Dinitro-1H-imidazol-2-yl)-2-methyl-1,3-thiazole","","CC1=NC(=CS1)C2=NC(=C(N2)[N+](=O)[O-])[N+](=O)[O-]","RCPGPGNXJBPVKJ-UHFFFAOYSA-N","359347",NA,"PDBC22897","620146","Present"
-"4-(4,7,7-Trimethyl-4-(methylthio)bicyclo[4.1.0]hept-3-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(4,7,7-Trimethyl-4-(methylthio)bicyclo[4.1.0]hept-3-yl)morpholine","","CC1(C2C1CC(C(C2)N3CCOCC3)(C)SC)C","LZTQTTOSHLGSSO-UHFFFAOYSA-N","375771",NA,"PDBC22898","655921","Present"
-"4-(4,9-Dioxo-3-phenylbenzo[f]benzimidazol-2-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","4-(4,9-Dioxo-1-phenyl-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)butanoic acid","","C1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCCC(=O)O","HYNSOUHCJZAKOT-UHFFFAOYSA-N","382882",NA,"PDBC22899","670759","Present"
-"4-(4-(1-(4-(3,4-Dicyanophenoxy)phenyl)-1-methylethyl)phenoxy)phthalonitrile","","","","","","","","","","","","","","","","","","","","4-(4-(1-(4-(3,4-Dicyanophenoxy)phenyl)-1-methylethyl)phenoxy)phthalonitrile","","CC(C)(C1=CC=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N)C3=CC=C(C=C3)OC4=CC(=C(C=C4)C#N)C#N","JHYUOAPCMWCEND-UHFFFAOYSA-N","371799",NA,"PDBC22900","646244","Present"
-"4-(4-(1-Cyclohexyl-1H-tetraazol-5-yl)-4-(4-fluoroanilino)-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone","","","","","","","","","","","","","","","","","","","","4-[4-(1-Cyclohexyltetrazol-5-yl)-4-(4-fluoroanilino)-1-piperidyl]-1-(4-fluorophenyl)butan-1-one","","C1CCC(CC1)N2C(=NN=N2)C3(CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","UQRJPUOCSXNBHR-UHFFFAOYSA-N","379869",NA,"PDBC22901","665006","Present"
-"4-(4-(1-Hydroxy-1-methylpropyl)-1H-1,2,3-triazol-1-yl)benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-(4-(1-Hydroxy-1-methylpropyl)-1H-1,2,3-triazol-1-yl)benzenesulfonic acid","","CCC(C)(C1=CN(N=N1)C2=CC=C(C=C2)S(=O)(=O)O)O","RSTNMSONLWMKME-UHFFFAOYSA-N","365362",NA,"PDBC22902","632947","Present"
-"4-(4-(3-(4-(Dimethylamino)phenyl)benzo[f]quinolin-1-yl)anilino)-2-butanone","","","","","","","","","","","","","","","","","","","","4-(4-(3-(4-(Dimethylamino)phenyl)benzo[f]quinolin-1-yl)anilino)-2-butanone","","CC(=O)CCNC1=CC=C(C=C1)C2=CC(=NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)N(C)C","ZRCFZLFZSNNYPA-UHFFFAOYSA-N","379936",NA,"PDBC22903","665128","Present"
-"4-(4-(Acetylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Acetamidophenyl)-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC=CC=C4C)C)C","PMQPNRGZUORQTH-UHFFFAOYSA-N","366472",NA,"PDBC22904","634931","Present"
-"4-(4-(Acetylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-(Acetylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC=CC=C4","PAABSBIGRGJMGU-UHFFFAOYSA-N","366471",NA,"PDBC22905","634930","Present"
-"4-(4-(Acetylamino)phenyl)-N~3~,N~5~-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Acetamidophenyl)-3-N,5-N-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CCOC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC=CC=C4OCC)C)C","AFSWTWTWPIODFN-UHFFFAOYSA-N","367772",NA,"PDBC22906","637711","Present"
-"4-(4-(Acetylamino)phenyl)-N~3~,N~5~-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Acetamidophenyl)-N3,N5-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CCC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC=CC=C4CC)C)C","KVLLFWLUGUBPFD-UHFFFAOYSA-N","367734",NA,"PDBC22907","637673","Present"
-"4-(4-(Dimethylamino)benzylidene)-1,2-diphenyl-3,5-pyrazolidinedione","","","","","","","","","","","","","","","","","","","","4-(4-(Dimethylamino)benzylidene)-1,2-diphenyl-3,5-pyrazolidinedione","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4","OZJUNQHTXXJTFU-UHFFFAOYSA-N","392107",NA,"PDBC22908","691979","Present"
-"4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","Pyridine-3,5-dicarboxamide, 1,4-dihydro-2,6-dimethyl- 4-...","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=CC=C4","ZJXLSQWDLZPNFM-UHFFFAOYSA-N","366928",NA,"PDBC22909","636092","Present"
-"4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-[4-(Dimethylamino)phenyl]-2,6-dimethyl-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC(=C(C=C4F)F)F","KGXJZNVDCXDZKA-UHFFFAOYSA-N","367700",NA,"PDBC22910","637631","Present"
-"4-(4-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(4-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide","","C1=CC(=CC=C1C(=O)CC(=O)C(=O)NC2=NC=CS2)[N+](=O)[O-]","AEABMSGGISPNLY-UHFFFAOYSA-N","366708",NA,"PDBC22911","635425","Present"
-"4-(4-(Hydroxy(oxido)amino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=C(C=C4F)F)F","OQIZCRJKMAIVFS-UHFFFAOYSA-N","367666",NA,"PDBC22912","637595","Present"
-"4-(4-(Hydroxy(oxido)amino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-3-N,5-N-bis(2-methylphenyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4C)C)C","JGCYPORZVOCZAD-UHFFFAOYSA-N","364789",NA,"PDBC22913","631548","Present"
-"4-(4-(Hydroxy(oxido)amino)phenyl)-6-imino-1-isonicotinoyl-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazine","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl- 4-(4-n...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=NC=C4","FCMHVKZFAXVWFU-UHFFFAOYSA-N","376864",NA,"PDBC22914","657983","Present"
-"4-(4-(Hydroxy(oxido)amino)phenyl)-N-(2-methylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(4-(Hydroxy(oxido)amino)phenyl)-N-(2-methylphenyl)-2,4-dioxobutanamide","","CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","KQAKXXRHIRZAAT-UHFFFAOYSA-N","366715",NA,"PDBC22915","635431","Present"
-"4-(4-(Hydroxy(oxido)amino)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(4-(Hydroxy(oxido)amino)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","KDRIOGVFLPPVQT-UHFFFAOYSA-N","361019",NA,"PDBC22916","623752","Present"
-"4-(4-(Hydroxy(oxido)amino)phenyl)-N~3~,N~5~-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4OC","XITQLCWFMHHBLB-UHFFFAOYSA-N","366297",NA,"PDBC22917","634648","Present"
-"4-(4-Acetylphenoxy)-3-ethyl-1H-quinolin-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Acetylphenoxy)-3-ethylquinolin-2(1h)-one","","CCC1=C(C2=CC=CC=C2NC1=O)OC3=CC=C(C=C3)C(=O)C","UABJIOGVMIKHIP-UHFFFAOYSA-N","406551",NA,"PDBC22918","724699","Present"
-"4-(4-Amino-2-iodophenyl)-3-iodoaniline","","","","","","","","","","","","","","","","","","","","NSC170080","","C1=CC(=C(C=C1N)I)C2=C(C=C(C=C2)N)I","PGJJPWRSBHDEOP-UHFFFAOYSA-N","298191",NA,"PDBC22919","170080","Present"
-"4-(4-Amino-2-methylsulfanyl-phenylazo)-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(4-Amino-2-methylsulfanyl-phenylazo)-benzenesulfonamide","","CSC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)S(=O)(=O)N","VKIQIKNZYOSHFW-UHFFFAOYSA-N","404198",NA,"PDBC22920","720349","Present"
-"4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylic acid","","","","","","","","","","","","","","","","","","","","4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylic acid","","CC1=NC(=C(C(=O)N1)N2CCN(CC2)C(=O)O)N","YEEIDWNFDVZFQY-UHFFFAOYSA-N","135489787",NA,"PDBC22921","673111","Present"
-"4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinesulfonamide","","","","","","","","","","","","","","","","","","","","4-(4-amino-6-hydroxy-2-methylpyrimidin-5-yl)piperazine-1...","","CC1=NC(=C(C(=O)N1)N2CCN(CC2)S(=O)(=O)N)N","FGKYKKDSNCTFAR-UHFFFAOYSA-N","135489788",NA,"PDBC22922","673114","Present"
-"4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-N,N-dibenzyl-1-piperazinesulfonamide","","","","","","","","","","","","","","","","","","","","4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-N,N-dibenzyl-1-piperazinesulfonamide","","CC1=NC(=C(C(=O)N1)N2CCN(CC2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)N","ITFJCPKTZBZWGS-UHFFFAOYSA-N","135436011",NA,"PDBC22923","673115","Present"
-"4-(4-Aminophenyl)-3,4-dihydro-1H-benzo[f]isoquinolin-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Aminophenyl)-3,4-dihydro-1H-benzo[f]isoquinolin-2-one","","C1C2=C(C=CC3=CC=CC=C23)C(NC1=O)C4=CC=C(C=C4)N","AWQVLXUKLNQZMB-UHFFFAOYSA-N","339645",NA,"PDBC22924","367238","Present"
-"4-(4-Aminophenyl)-3H-1,2-dithiol-3-thione","","","","","","","","","","","","","","","","","","","","4-(4-Aminophenyl)-3H-1,2-dithiol-3-thione","","C1=CC(=CC=C1C2=CSSC2=S)N","UXARPYFFIYEWHB-UHFFFAOYSA-N","400550",NA,"PDBC22925","712671","Present"
-"4-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)but-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","4-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)but-2-yn-1-ol","","C1=CN(C2=NC=NC(=C21)N)CC#CCO","CYRQIJMBNCTYBP-UHFFFAOYSA-N","395240",NA,"PDBC22926","699715","Present"
-"4-(4-Anilino-4-(1-cyclohexyl-1H-tetraazol-5-yl)-1-piperidinyl)-2,2-diphenylbutanenitrile","","","","","","","","","","","","","","","","","","","","4-(4-Anilino-4-(1-cyclohexyl-1H-tetraazol-5-yl)-1-piperidinyl)-2,2-diphenylbutanenitrile","","C1CCC(CC1)N2C(=NN=N2)C3(CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5)NC6=CC=CC=C6","LJCKNQZHEUWMQE-UHFFFAOYSA-N","379870",NA,"PDBC22927","665007","Present"
-"4-(4-Anilinopyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(4-Anilinopyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide","","C1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=C(C=C4)S(=O)(=O)N","LOLNLRPYBIEWHP-UHFFFAOYSA-N","42612133",NA,"PDBC22928","742621","Present"
-"4-(4-Benzo[b][1]benzazepin-11-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Benzo[b][1]benzazepin-11-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53","QNLHAHRONGKKGV-UHFFFAOYSA-N","16736410",NA,"PDBC22929","732719","Present"
-"4-(4-Bromo-2-methylanilino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","4-(4-Bromo-2-methylanilino)-1,2-naphthalenedione","","CC1=C(C=CC(=C1)Br)NC2=CC(=O)C(=O)C3=CC=CC=C32","SXGRFWUHSDNFQH-UHFFFAOYSA-N","367788",NA,"PDBC22930","637730","Present"
-"4-(4-Bromoanilino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","4-(4-Bromoanilino)-1,2-naphthalenedione","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)Br","KUPUNXIKYHJSFU-UHFFFAOYSA-N","367791",NA,"PDBC22931","637733","Present"
-"4-(4-Bromoanilino)-1,2-naphthalenedione 1-oxime","","","","","","","","","","","","","","","","","","","","naphthalene-1,2-dione, 4-[(4-bromophenyl)amino]-, 1-oxime","","C1=CC=C2C(=C1)C(=CC(=C2N=O)O)NC3=CC=C(C=C3)Br","DTVQCZUFUJDCJK-UHFFFAOYSA-N","377041",NA,"PDBC22932","658257","Present"
-"4-(4-Bromophenyl)-2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-bromophenyl)-2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile","","CC1(CC2=C(C(C(=C(N2)SSC3=C(C(C4=C(N3)CC(CC4=O)(C)C)C5=CC=C(C=C5)Br)C#N)C#N)C6=CC=C(C=C6)Br)C(=O)C1)C","FVPZZKMLJFRKIA-UHFFFAOYSA-N","380528",NA,"PDBC22933","666141","Present"
-"4-(4-Bromophenyl)-2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl]disulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2,2'-Dithiobis[4-(4-bromophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile]","","CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SSC3=NC4=C(C(=O)CC(C4)(C)C)C(=C3C#N)C5=CC=C(C=C5)Br)C#N)C6=CC=C(C=C6)Br)C","HPXKTAXYAYITPE-UHFFFAOYSA-N","378725",NA,"PDBC22934","661827","Present"
-"4-(4-Bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydroquinoline-3-carbonitrile","","CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)Br)C","WGNSUWGQZFXHLG-UHFFFAOYSA-N","1015890",NA,"PDBC22935","666137","Present"
-"4-(4-Bromophenyl)-N,N-dibutyl-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(4-Bromophenyl)-N,N-dibutyl-2,4-dioxobutanamide","","CCCCN(CCCC)C(=O)C(=O)CC(=O)C1=CC=C(C=C1)Br","HSZDJUSZDYTLJT-UHFFFAOYSA-N","360359",NA,"PDBC22936","622417","Present"
-"4-(4-Bromophenyl)pentanoic acid","","","","","","","","","","","","","","","","","","","","4-(4-Bromophenyl)pentanoic acid","","CC(CCC(=O)O)C1=CC=C(C=C1)Br","UCJNBCAEPJOHDL-UHFFFAOYSA-N","362077",NA,"PDBC22937","625600","Present"
-"4-(4-Butoxyphenyl)-7,7-dimethyl-2-nonylthio-5-oxo-1,4,6,7,8-pentahydroquinolin e-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Butoxyphenyl)-7,7-dimethyl-2-nonylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile","","CCCCCCCCCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCCCC)C#N","PNCZCNCQEQECEA-UHFFFAOYSA-N","398168",NA,"PDBC22938","707700","Present"
-"4-(4-Carbazol-9-ylbutanoylamino)-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Carbazol-9-ylbutanoylamino)-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCCN2C3=CC=CC=C3C4=CC=CC=C42","MIFSQZOAHJIZRZ-UHFFFAOYSA-N","404108",NA,"PDBC22939","720229","Present"
-"4-(4-Carbazol-9-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Carbazol-9-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCN3C4=CC=CC=C4C5=CC=CC=C53","IGSXCXLJGXJXMS-UHFFFAOYSA-N","406397",NA,"PDBC22940","724462","Present"
-"4-(4-Chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one","","","","","","","","","","","","","","","","","","","","4-(4-Chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N2CCNNC2=O","AVBLPDYWIWGNOR-UHFFFAOYSA-N","393927",NA,"PDBC22941","696899","Present"
-"4-(4-Chloroanilino)-1-cyclohexyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","4-(4-Chloroanilino)-1-cyclohexyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","C1CCC(CC1)N2C3=C(C(=NNC3=O)NC4=CC=C(C=C4)Cl)N=N2","OXVDJXDLQPSELF-UHFFFAOYSA-N","386619",NA,"PDBC22942","679073","Present"
-"4-(4-Chloroanilino)-3-((((cyanoimino)(isopropylamino)methyl)amino)sulfonyl)pyridine","","","","","","","","","","","","","","","","","","","","4-(4-Chloroanilino)-3-((((cyanoimino)(isopropylamino)methyl)amino)sulfonyl)pyridine","","CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=C(C=C2)Cl","ULTCNYNBAHAWFF-UHFFFAOYSA-N","388895",NA,"PDBC22943","684125","Present"
-"4-(4-Chloroanilino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol","","","","","","","","","","","","","","","","","","","","4-(4-Chloroanilino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol","","C1CCC2=C(C1)C3=C(NC(=S)N=C3S2)NC4=CC=C(C=C4)Cl","IFCMUBBXAZVPGB-UHFFFAOYSA-N","3005175",NA,"PDBC22944","679232","Present"
-"4-(4-Chloroanilino)oxadiazolo[3,4-a]quinoxalin-10-ium-3-ol","","","","","","","","","","","","","","","","","","","","4-(4-Chloroanilino)oxadiazolo[3,4-a]quinoxalin-10-ium-3-ol","","C1=CC=C2C(=C1)N=C(C3=C(ON=[N+]23)[O-])NC4=CC=C(C=C4)Cl","ZRVPDRNAJOKDEM-UHFFFAOYSA-N","375085",NA,"PDBC22945","654099","Present"
-"4-(4-Chlorophenoxy)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenoxy)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one","","C1CCC2(CC1)C(=C(C(=O)O2)F)OC3=CC=C(C=C3)Cl","PSDJXCGOTORASO-UHFFFAOYSA-N","400249",NA,"PDBC22946","711767","Present"
-"4-(4-Chlorophenyl)-1,1-dimethyl-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-1,1-dimethyl-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole","","CC1(C2=NC3=CC=CC=C3N2CN(CO1)C4=CC=C(C=C4)Cl)C","XKKVYZYWVUINKZ-UHFFFAOYSA-N","374204",NA,"PDBC22947","651694","Present"
-"4-(4-Chlorophenyl)-1,2,5,6-tetrahydrobenzo[h]quinazolin-2-amine","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-1,2,5,6-tetrahydrobenzo[h]quinazolin-2-amine","","C1CC2=C(C3=CC=CC=C31)NC(N=C2C4=CC=C(C=C4)Cl)N","QYKUVRRPDDEXDP-UHFFFAOYSA-N","388253",NA,"PDBC22948","682864","Present"
-"4-(4-Chlorophenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidine-2-thione","","C1C2=C(C3=CC=CC=C3O1)NC(=S)NC2C4=CC=C(C=C4)Cl","LMOXVRNXMUJEKQ-UHFFFAOYSA-N","3005208",NA,"PDBC22949","682863","Present"
-"4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one","","C1C(=NC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)Cl","PHRODTFGFHUYEY-UHFFFAOYSA-N","371095",NA,"PDBC22950","645042","Present"
-"4-(4-Chlorophenyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","C1=CSC(=C1)C(=O)C(CC(=O)C2=CC=C(C=C2)Cl)C3=CSC=C3","VXKMMDDKHOTWIT-UHFFFAOYSA-N","376706",NA,"PDBC22951","657752","Present"
-"4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole","","COC1=CC(=CC(=C1OC)OC)N2C=C(N=C2)C3=CC=C(C=C3)Cl","KJQMJQIYAQBQEW-UHFFFAOYSA-N","45027920",NA,"PDBC22952","740123","Present"
-"4-(4-Chlorophenyl)-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone","","","","","","","","","","","","","","","","","","","","4-(4-chlorophenyl)-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-2...","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=C(C=C4)Cl","OCNRWUCUXUXDQJ-KPKJPENVSA-N","49862040",NA,"PDBC22953","750332","Present"
-"4-(4-Chlorophenyl)-1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone","","","","","","","","","","","","","","","","","","","","4-(4-chlorophenyl)-1-3-[(E)-3-(3-hydroxyphenyl)-2-propen...","","C1=CC(=CC(=C1)O)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=C(C=C4)Cl","QNZNFNWPEPMEAV-KPKJPENVSA-N","49862080",NA,"PDBC22954","749337","Present"
-"4-(4-Chlorophenyl)-1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone","","","","","","","","","","","","","","","","","","","","4-(4-chlorophenyl)-1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl...","","COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=C(C=C4)Cl)O","MHEKBJLSZNJTFR-VZUCSPMQSA-N","46919707",NA,"PDBC22955","748559","Present"
-"4-(4-Chlorophenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C)C)C","OGPKLGUNQJHQHC-UHFFFAOYSA-N","366301",NA,"PDBC22956","634652","Present"
-"4-(4-Chlorophenyl)-2-((hydrazinocarbonyl)hydrazono)-3-methyl-4-oxo-N-(3-(trifluoromethyl)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","(2Z)-4-(4-Chlorophenyl)-2-(hydrazinecarbonylhydrazinylidene)-3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]butanamide","","CC(C(=O)C1=CC=C(C=C1)Cl)C(=NNC(=O)NN)C(=O)NC2=CC=CC(=C2)C(F)(F)F","ACHPSLPZGZWPHG-DICXZTSXSA-N","6069248",NA,"PDBC22957","632033","Present"
-"4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C4=CC=CS4","WBUIMWIRPFWXLD-UHFFFAOYSA-N","367034",NA,"PDBC22958","636362","Present"
-"4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide","","C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C4=CC=CS4","OPMACWLLFAYQRX-UHFFFAOYSA-N","367046",NA,"PDBC22959","636374","Present"
-"4-(4-Chlorophenyl)-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile","","CN1C(=O)C(=C(N=C1NN=CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N","KCUGCLUEEAVVSH-FOKLQQMPSA-N","9572612",NA,"PDBC22960","722327","Present"
-"4-(4-Chlorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-2-oxo-1,5-dihydro-2H-thiochromeno[4,3-b]pyridine-3-carbonitrile","","C1C2=C(C3=CC=CC=C3S1)NC(=O)C(=C2C4=CC=C(C=C4)Cl)C#N","NJDZQHHWGFAOPP-UHFFFAOYSA-N","403889",NA,"PDBC22961","719473","Present"
-"4-(4-Chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","Pyrido[3,2-d][1]benzazepin-6-one, 4-(4-chlorophenyl)-2-p...","","C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5","ZCQPIJNMUTYFPC-UHFFFAOYSA-N","388196",NA,"PDBC22962","682764","Present"
-"4-(4-Chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione","","C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5","WJZVWRUJHXZFJP-UHFFFAOYSA-N","3005206",NA,"PDBC22963","682770","Present"
-"4-(4-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","C1=CC=C2C(=C1)C3=C(C2=O)NC(=S)NC3C4=CC=C(C=C4)Cl","JQSKACAPLXGGCU-UHFFFAOYSA-N","3001713",NA,"PDBC22964","641188","Present"
-"4-(4-Chlorophenyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile","","C1CCC2=C(C1)C(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=C(C=C4)Cl","CDGNAJQMMNFZRS-UHFFFAOYSA-N","385327",NA,"PDBC22965","676444","Present"
-"4-(4-Chlorophenyl)-3-(3-hydroxynaphthalen-2-yl)-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","1,4-Dihydro-3-(3-hydroxy-2-naphthyl)-4-(4-chlorophenyl)-...","","C1=CC=C2C=C(C(=CC2=C1)C3=NNC(=S)N3C4=CC=C(C=C4)Cl)O","VRLTUNBVMSRHBO-UHFFFAOYSA-N","135520287",NA,"PDBC22966","729052","Present"
-"4-(4-Chlorophenyl)-3-(cyclopentoxy)thiazole-2-thione","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-3-(cyclopentoxy)thiazole-2-thione","","C1CCC(C1)ON2C(=CSC2=S)C3=CC=C(C=C3)Cl","QMWORKCUGVZYPW-UHFFFAOYSA-N","399500",NA,"PDBC22967","710361","Present"
-"4-(4-Chlorophenyl)-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4-b]pyridine-5-carbonitrile, 4-(4-chloroph...","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C(=C(C(=O)NC4=NN3)C#N)C5=CC=C(C=C5)Cl)O","KGGQEVJUSKQFAB-UHFFFAOYSA-N","135426589",NA,"PDBC22968","701020","Present"
-"4-(4-Chlorophenyl)-3-[[4-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]anilino]methyl]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-3-[[4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]anilino]methyl]-1H-1,2,4-triazole-5-thione","","C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)Cl)NCC4=NNC(=S)N4C5=CC=C(C=C5)Cl","BTNRFKWIVHABQR-UHFFFAOYSA-N","3005398",NA,"PDBC22969","697142","Present"
-"4-(4-Chlorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-6-thione","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-6-thione","","CC1=NN(C2=C1C(NC(=S)N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","UTBAEDFYZKEFOP-UHFFFAOYSA-N","135426804",NA,"PDBC22970","718698","Present"
-"4-(4-Chlorophenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one","","COC1=CC(=CC(=C1OC)OC)N2C=C(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","YTZQTMLOOBAOMV-UHFFFAOYSA-N","45027970",NA,"PDBC22971","740361","Present"
-"4-(4-Chlorophenyl)-6-hydroxy-2-(methylsulfanyl)pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-6-hydroxy-2-(methylsulfanyl)pyrimidine-5-carbonitrile","","CSC1=NC(=C(C(=O)N1)C#N)C2=CC=C(C=C2)Cl","BCKZVLHWPRWWSO-UHFFFAOYSA-N","135433313",NA,"PDBC22972","686029","Present"
-"4-(4-Chlorophenyl)-6-phenyl-2-thioxo-2,3,4,6-tetrahydropyrimido[5,4-c]quinolin-5(1H)-one","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-6-phenyl-2-thioxo-2,3,4,6-tetrahydrop...","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C(C2=O)C(NC(=S)N4)C5=CC=C(C=C5)Cl","HYQAYDASNHSFSH-UHFFFAOYSA-N","60147922",NA,"PDBC22973","753151","Present"
-"4-(4-Chlorophenyl)-7,7-dimethyl-5-oxo-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,8-dihydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,8-dihydroquinoline-3-carbonitrile","","CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=C(C=C4)Cl)C","ZYDDIXIWPBRANT-UHFFFAOYSA-N","385414",NA,"PDBC22974","676594","Present"
-"4-(4-Chlorophenyl)-7a-methyl-2,5-diphenylcyclopenta[b]pyran-7(7aH)-one","","","","","","","","","","","","","","","","","","","","4-(4-Chloro-phenyl)-7a-methyl-2,5-diphenyl-7aH-cyclopent...","","CC12C(=O)C=C(C1=C(C=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5","HZUTYPQMKGUNQK-UHFFFAOYSA-N","24205336",NA,"PDBC22975","735175","Present"
-"4-(4-Chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)CC(=O)C3=CC=C(C=C3)Cl","SGEKNGLDNPJGND-UHFFFAOYSA-N","360723",NA,"PDBC22976","623059","Present"
-"4-(4-Chlorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine","","CC1=NC(=CS1)C2=CC(=CC=C2)NC3=NC(=CS3)C4=CC=C(C=C4)Cl","VKOSYNOOATZXNT-UHFFFAOYSA-N","24203948",NA,"PDBC22977","730247","Present"
-"4-(4-Chlorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine","","C1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=CC=C3)NC4=NC(=CS4)C5=CC=C(C=C5)Cl","LTTSCORISXGRRW-UHFFFAOYSA-N","24203953",NA,"PDBC22978","730256","Present"
-"4-(4-Chlorophenyl)-N-hydroxy-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenyl)-N-hydroxy-4-oxobutanamide","","C1=CC(=CC=C1C(=O)CCC(=O)NO)Cl","BAARMQOOWCKTLC-UHFFFAOYSA-N","392403",NA,"PDBC22979","692767","Present"
-"4-(4-Chlorophenyl)imino-1,5-diphenylpyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","(4e)-4-[(4-Chlorophenyl)imino]-1,5-diphenylpyrrolidin-2-one","","C1C(=NC2=CC=C(C=C2)Cl)C(N(C1=O)C3=CC=CC=C3)C4=CC=CC=C4","FBCJWMNOBKLUDV-UHFFFAOYSA-N","403390",NA,"PDBC22980","718191","Present"
-"4-(4-Chlorophenyl)sulfanyl-1-methylpyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","Maybridge3_001738","","CN1C2=C(C=N1)C(=NC=N2)SC3=CC=C(C=C3)Cl","DWNXJJMPMJYMAB-UHFFFAOYSA-N","223719",NA,"PDBC22981","11624","Present"
-"4-(4-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-(4-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol","","CN(C)CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)Cl)O","ARKLCDXQRNTCON-UHFFFAOYSA-N","384364",NA,"PDBC22982","674074","Present"
-"4-(4-Cinnolinylthio)-6,7-dimethoxycinnoline","","","","","","","","","","","","","","","","","","","","4-(4-Cinnolinylthio)-6,7-dimethoxycinnoline","","COC1=C(C=C2C(=C1)C(=CN=N2)SC3=CN=NC4=CC=CC=C43)OC","GLCZFZHRPBGNBD-UHFFFAOYSA-N","270905",NA,"PDBC22983","114064","Present"
-"4-(4-Cyano-N-(4-methoxyphenyl)anilino)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Cyano-N-(4-methoxyphenyl)anilino)benzonitrile","","COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N","KTFRBVAZZLOFPO-UHFFFAOYSA-N","394812",NA,"PDBC22984","698614","Present"
-"4-(4-Diethoxyphosphanyltriazol-1-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","4-[4-(Diethoxyphosphanyl)-1h-1,2,3-triazol-1-yl]butanoic acid","","CCOP(C1=CN(N=N1)CCCC(=O)O)OCC","KCTUWVJISUSMKX-UHFFFAOYSA-N","386531",NA,"PDBC22985","678963","Present"
-"4-(4-Diethoxyphosphanyltriazol-1-yl)butyl acetate","","","","","","","","","","","","","","","","","","","","4-[4-(Diethoxyphosphanyl)-1h-1,2,3-triazol-1-yl]butyl acetate","","CCOP(C1=CN(N=N1)CCCCOC(=O)C)OCC","KAOVNBBUNPENBG-UHFFFAOYSA-N","386530",NA,"PDBC22986","678962","Present"
-"4-(4-Diethylamino-O-tolylimino)-1,4-dihydro-4'-ME-sulfonyl-1-oxonaphthanilide","","","","","","","","","","","","","","","","","","","","4-[4-(Diethylamino)-2-methylphenyl]imino-N-(4-methylsulfonylphenyl)-1-oxonaphthalene-2-carboxamide","","CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C)C","KSNPXYUZNGIFGX-UHFFFAOYSA-N","269678",NA,"PDBC22987","111135","Present"
-"4-(4-Dimethylaminobenzyliden)-1-methyl-6-nitro-2-phenyl-4H-p yrazolo[1,5-a]indolium trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","4-(4-Dimethylaminobenzyliden)-1-methyl-6-nitro-2-phenyl-...","","C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C=C(C=C3)[N+](=O)[O-])C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","CKJNKVUCIFATCQ-UHFFFAOYSA-M","5472651",NA,"PDBC22988","720622","Present"
-"4-(4-Dimethylaminobenzyliden)-2-(3-dimethylaminopropylaminoc arbonyl)-1-methyl-4H-pyrazolo[1,5-a]indolium trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","4-(4-Dimethylaminobenzyliden)-2-(3-dimethylaminopropylam...","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)C(=O)NCCCN(C)C.C(F)(F)(F)S(=O)(=O)[O-]","NVDOTNVYYRUZEJ-UHFFFAOYSA-N","5472693",NA,"PDBC22989","720792","Present"
-"4-(4-Dimethylaminophenyl)-2,6-dimethyl-N3,N5-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","4-[4-(Dimethylamino)phenyl]-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","QUPDMAHOIOFEBV-UHFFFAOYSA-N","367767",NA,"PDBC22990","637706","Present"
-"4-(4-Dimethylaminophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine","","","","","","","","","","","","","","","","","","","","4-(4-Dimethylaminophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine","","CN(C)C1=CC=C(C=C1)C2=NC(=NC3=C2CCCC3)N","DKPXCPWFLOTYTQ-UHFFFAOYSA-N","371392",NA,"PDBC22991","645610","Present"
-"4-(4-Dimethylaminostyryl)quinoline","","","","","","","","","","","","","","","","","","","","4m2o","","CN(C)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23","CIXDQQGMRYRUQA-JXMROGBWSA-N","668053",NA,"PDBC22992","4236","Present"
-"4-(4-Ethoxy-benzylidene)-2-phenyl-4H-oxazol-5-one","","","","","","","","","","","","","","","","","","","","4-(4-Ethoxy-benzylidene)-2-phenyl-4H-oxazol-5-one","","CCOC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3","LZGHNOQOXAKRFO-VBKFSLOCSA-N","670549",NA,"PDBC22993","165000","Present"
-"4-(4-Ethoxyanilino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","1,2-Naphthalenedione, 4-[(4-ethoxyphenyl)amino]-","","CCOC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32","DDFJWWONBPVCPM-UHFFFAOYSA-N","367790",NA,"PDBC22994","637732","Present"
-"4-(4-Fluorophenyl)-1-(2-hydroxybenzylidene)thiosemicarbazide","","","","","","","","","","","","","","","","","","","","DNDI1417146","","C1=CC=C(C(=C1)C=NNC(=S)NC2=CC=C(C=C2)F)O","OVCWJVRHOUKGII-SXGWCWSVSA-N","135435713",NA,"PDBC22995","73241","Present"
-"4-(4-Fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole","","","","","","","","","","","","","","","","","","","","SB-220025-A///SB-220025-R","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F","VSPFURGQAYMVAN-UHFFFAOYSA-N","5164",NA,"PDBC22996","756416///756417","Present"
-"4-(4-Fluorophenyl)-2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","2-((E)-2-((1H-indol-3-yl)methylene)hydrazinyl)-4-(4-fluo...","","C1COCCN1C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)F)NN=CC4=CNC5=CC=CC=C54","TVZHECKTTDIROX-RWPZCVJISA-N","155808793",NA,"PDBC22997","795213","Present"
-"4-(4-Fluorophenyl)-4-methyl-2,6-dioxo-3,5-piperidinedicarbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Fluorophenyl)-4-methyl-2,6-dioxo-3,5-piperidinedicarbonitrile","","CC1(C(C(=O)NC(=O)C1C#N)C#N)C2=CC=C(C=C2)F","CXCPZHNDBRGVNP-UHFFFAOYSA-N","367024",NA,"PDBC22998","636351","Present"
-"4-(4-Fluorophenyl)-7-methoxy-2-(2-quinolinyl)-5,6-dihydrobenzo[h]quinoline","","","","","","","","","","","","","","","","","","","","4-(4-Fluorophenyl)-7-methoxy-2-quinolin-2-yl-5,6-dihydrobenzo[h]quinoline","","COC1=CC=CC2=C1CCC3=C2N=C(C=C3C4=CC=C(C=C4)F)C5=NC6=CC=CC=C6C=C5","FOHFZQFUSMKJGF-UHFFFAOYSA-N","388618",NA,"PDBC22999","683629","Present"
-"4-(4-Fluorophenyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(4-Fluorophenyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide","","CC(C)C1=C2C(=CC=C1)SC(=N2)NC(=O)C(=O)CC(=O)C3=CC=C(C=C3)F","VVCAAYKFKODWQD-UHFFFAOYSA-N","361012",NA,"PDBC23000","623745","Present"
-"4-(4-Furo[2,3-b]quinolin-4-yloxyphenyl)butan-2-ol","","","","","","","","","","","","","","","","","","","","4-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]butan-2-ol","","CC(CCC1=CC=C(C=C1)OC2=C3C=COC3=NC4=CC=CC=C42)O","KBNTVQCGFMEOPK-UHFFFAOYSA-N","406548",NA,"PDBC23001","724696","Present"
-"4-(4-Furo[2,3-b]quinolin-4-yloxyphenyl)butan-2-one","","","","","","","","","","","","","","","","","","","","4-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one","","CC(=O)CCC1=CC=C(C=C1)OC2=C3C=COC3=NC4=CC=CC=C42","PKZWXKJZOLEXPL-UHFFFAOYSA-N","406547",NA,"PDBC23002","724695","Present"
-"4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid","","CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)C(=O)O","NNMLZOOXHSMUKJ-UHFFFAOYSA-N","135401754",NA,"PDBC23003","673100","Present"
-"4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide","","CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)S(=O)(=O)N","QBHYVAWKFRUONU-UHFFFAOYSA-N","135427646",NA,"PDBC23004","673103","Present"
-"4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4","CLRNXXZGYQHZHP-UHFFFAOYSA-N","365860",NA,"PDBC23005","633935","Present"
-"4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC(=C(C=C4F)F)F","IHKHJUBUDCKBIR-UHFFFAOYSA-N","367774",NA,"PDBC23006","637713","Present"
-"4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4C)C)C","DYOARMIAODMEGM-UHFFFAOYSA-N","366160",NA,"PDBC23007","634487","Present"
-"4-(4-Hydroxy-3-methoxyphenyl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","UEWMXXOFLIOKDF-UHFFFAOYSA-N","367699",NA,"PDBC23008","637630","Present"
-"4-(4-Hydroxybutyl)pyrido[3,2-b][1,4]oxazin-3-one","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxybutyl)pyrido[3,2-b][1,4]oxazin-3-one","","C1C(=O)N(C2=C(O1)C=CC=N2)CCCCO","RPHCZQOXIZCPOO-UHFFFAOYSA-N","393357",NA,"PDBC23009","695153","Present"
-"4-(4-Hydroxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(3-(trifluoromethyl)phenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxyphenyl)-2,6-dimethyl-3-N,5-N-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)O)C(=O)NC4=CC=CC(=C4)C(F)(F)F","WCXVDZLRBGFHEP-UHFFFAOYSA-N","367685",NA,"PDBC23010","637616","Present"
-"4-(4-Hydroxyphenyl)-2-butanone 4'-O-(6-O-galloyl-2-O-cinnamoyl)glucopyranoside","","","","","","","","","","","","","","","","","","","","4-(4-hydroxyphenyl)-2-butanone 4'-O-(6-O-galloyl-2-O-cin...","","CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4","AHHMQRHEIDUWPG-SDNWHVSQSA-N","24204941",NA,"PDBC23011","733506","Present"
-"4-(4-Hydroxyphenyl)-3-(3,5-trihydroxyphenyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","4-(4-hydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)-2(5H)-fur...","","C1C(=C(C(=O)O1)C2=CC(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O","KQECCDXHFVCKRH-UHFFFAOYSA-N","10957540",NA,"PDBC23012","726246","Present"
-"4-(4-Hydroxyphenyl)-3-azabicyclo[3.2.1]octan-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxyphenyl)-3-azabicyclo[3.2.1]octan-2-one","","C1CC2CC1C(NC2=O)C3=CC=C(C=C3)O","FCNHGISFSWEVED-UHFFFAOYSA-N","367126",NA,"PDBC23013","636513","Present"
-"4-(4-Hydroxyphenyl)-3-phenoxychromen-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxyphenyl)-3-phenoxy-2H-chromen-2-one","","C1=CC=C(C=C1)OC2=C(C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)O","QETJMUQGNWPAIG-UHFFFAOYSA-N","395145",NA,"PDBC23014","699445","Present"
-"4-(4-Hydroxyphenyl)-7-methoxy-3-phenoxychromen-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Hydroxyphenyl)-7-methoxy-3-phenoxy-2H-chromen-2-one","","COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=CC=C3)C4=CC=C(C=C4)O","ZZYATZWOTZISSC-UHFFFAOYSA-N","395147",NA,"PDBC23015","699447","Present"
-"4-(4-Imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one","","","","","","","","","","","","","","","","","","","","2H-Imidazol-2-one, 1,3-dihydro-4-[4-(1H-imidazol-1-yl)- ...","","CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)N3C=CN=C3","GTLADJHSFQKGDS-UHFFFAOYSA-N","367855",NA,"PDBC23016","638021","Present"
-"4-(4-Isopropylphenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(4-Isopropylphenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C(C)C)C(=O)NC4=CC=CC=C4","OTEPPTCZBKUAJK-UHFFFAOYSA-N","361084",NA,"PDBC23017","623889","Present"
-"4-(4-Isopropylphenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","","","","","","","","","","","","","","","","","","","4-(4-Isopropylphenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","CC(C)C1=CC=C(C=C1)C2C3=C(C(=O)C4=CC=CC=C43)NC(=S)N2","GLQTUOVLZRTRHA-UHFFFAOYSA-N","3001711",NA,"PDBC23018","641182","Present"
-"4-(4-Isopropylphenyl)-N~3~,N~5~-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)C(C)C)C(=O)NC4=CC=CC=C4OC","UWJAZOIDZXXKIX-UHFFFAOYSA-N","361076",NA,"PDBC23019","623881","Present"
-"4-(4-Methoxy-2-methylphenyl)butanoic acid","","","","","","","","","","","","","","","","","","","","Opera_ID_1940","","CC1=C(C=CC(=C1)OC)CCCC(=O)O","SDCCJOGFKKGOBC-UHFFFAOYSA-N","237621",NA,"PDBC23020","41313","Present"
-"4-(4-Methoxy-phenyl)-2-(4-methyl-piperazin-1-yl)-3,5]imidazo[1,2-a]pyrimidine-3-carboxyaldehyde","","","","","","","","","","","","","","","","","","","","4-(4-Methoxy-phenyl)-2-(4-methyl-piperazin-1-yl)-3,4-dih...","","CN1CCN(CC1)C2=NC3=NC4=CC=CC=C4N3C(C2C=O)C5=CC=C(C=C5)OC","FLLIYCKHQKTESP-UHFFFAOYSA-N","405432",NA,"PDBC23021","722739","Present"
-"4-(4-Methoxybenzyl)-3-cinnolinol","","","","","","","","","","","","","","","","","","","","4-(4-Methoxybenzyl)-3-cinnolinol","","COC1=CC=C(C=C1)CC2=C3C=CC=CC3=NNC2=O","JGNMWWOOQATAQC-UHFFFAOYSA-N","368590",NA,"PDBC23022","639686","Present"
-"4-(4-Methoxycarbonyltriazol-1-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","4-[4-(Methoxycarbonyl)-1h-1,2,3-triazol-1-yl]butanoic acid","","COC(=O)C1=CN(N=N1)CCCC(=O)O","DCJSXYVSGQKYJS-UHFFFAOYSA-N","386527",NA,"PDBC23023","678959","Present"
-"4-(4-Methoxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one","","COC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)C2","WEQNGFZKIIZBHZ-UHFFFAOYSA-N","371094",NA,"PDBC23024","645041","Present"
-"4-(4-Methoxyphenyl)-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone","","","","","","","","","","","","","","","","","","","","4-(4-methoxyphenyl)-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-...","","COC1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC=CC(=C3)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC","UTKPZWSWZNYVCD-MDWZMJQESA-N","49862042",NA,"PDBC23025","750334","Present"
-"4-(4-Methoxyphenyl)-16-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-16-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C(C)C","NHNUPBOJTOSGJV-UHFFFAOYSA-N","390918",NA,"PDBC23026","689139","Present"
-"4-(4-Methoxyphenyl)-18-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-18-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1=C2C(=CC=C1)C3=C(N2)C4C(C5C3CCC(C5)C(C)C)C(=O)N(C4=O)C6=CC=C(C=C6)OC","SHRDPJMXEWIAGO-UHFFFAOYSA-N","390920",NA,"PDBC23027","689141","Present"
-"4-(4-Methoxyphenyl)-2-(2,3,5-trichlorophenyl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-2-(2,3,5-trichlorophenyl)-1,3-thiazole","","COC1=CC=C(C=C1)C2=CSC(=N2)C3=C(C(=CC(=C3)Cl)Cl)Cl","DEUXBTXGUQIKFE-UHFFFAOYSA-N","24814781",NA,"PDBC23028","742840","Present"
-"4-(4-Methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-2-one","","COC1=CC=C(C=C1)C2CC(=O)OC3=CC=CC=C3O2","BUNVNSQNKLMFAF-UHFFFAOYSA-N","378270",NA,"PDBC23029","660226","Present"
-"4-(4-Methoxyphenyl)-3-(2-naphthyl)-6-phenyl-2-pyridinamine","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-3-naphthalen-2-yl-6-phenylpyridin-2-amine","","COC1=CC=C(C=C1)C2=CC(=NC(=C2C3=CC4=CC=CC=C4C=C3)N)C5=CC=CC=C5","HPYOPVSXHVYYEX-UHFFFAOYSA-N","388629",NA,"PDBC23030","683640","Present"
-"4-(4-Methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one","","COC1=CC=C(C=C1)C2=CN(C(=O)N2C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC","HOOLAGDCSAMNTL-UHFFFAOYSA-N","45027969",NA,"PDBC23031","740360","Present"
-"4-(4-Methoxyphenyl)-3-phenylisothiochromeno[3,4-e]oxazine","","","","","","","","","","","","","","","","","","","","4-(4-methoxyphenyl)-3-phenylisothiochromeno[3,4-e][1,2]o...","","COC1=CC=C(C=C1)C2=C3C(=C4C=CC=CC4=CS3)ON=C2C5=CC=CC=C5","CIRCQLCUELBUQI-UHFFFAOYSA-N","405547",NA,"PDBC23032","722910","Present"
-"4-(4-Methoxyphenyl)-7,7-dimethyl-5-oxo-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,8-dihydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,8-dihydroquinoline-3-carbonitrile","","CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=C(C=C4)OC)C","VRHDUSRUIQLXLE-UHFFFAOYSA-N","385415",NA,"PDBC23033","676595","Present"
-"4-(4-Methoxyphenyl)-7,8-dimethyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-7,8-dimethyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine","","CC1=CC2=C(C=C1C)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC","PSIQDUJCLJWDIA-UHFFFAOYSA-N","384606",NA,"PDBC23034","674618","Present"
-"4-(4-Methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine","","COC1=CC=C(C=C1)C2=CN=NC3=C(C=NN23)C4=CC(=CC=C4)C(F)(F)F","SBJCTTSCLDWRDY-UHFFFAOYSA-N","337394",NA,"PDBC23035","355171","Present"
-"4-(4-Methoxyphenyl)-9-(2-methylbutan-2-yl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-9-(2-methylbutan-2-yl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CCC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","WIQKJAZMFIVQPU-UHFFFAOYSA-N","395265",NA,"PDBC23036","699743","Present"
-"4-(4-Methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","KEVCAWKQNSOOMZ-UHFFFAOYSA-N","390915",NA,"PDBC23037","689136","Present"
-"4-(4-Methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine","","CC1=NC(=CS1)C2=CC(=CC=C2)NC3=NC(=CS3)C4=CC=C(C=C4)OC","SVVAQFGRWZBBFP-UHFFFAOYSA-N","24203947",NA,"PDBC23038","730246","Present"
-"4-(4-Methoxyphenyl)-N-[[3-[[4-(4-methoxyphenyl)butylamino]methyl]phenyl]methyl]butan-1-amine","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-N-[[3-[[4-(4-methoxyphenyl)butylamino]methyl]phenyl]methyl]butan-1-amine","","COC1=CC=C(C=C1)CCCCNCC2=CC(=CC=C2)CNCCCCC3=CC=C(C=C3)OC","UXMWXUVIWCLPGP-UHFFFAOYSA-N","397160",NA,"PDBC23039","704564","Present"
-"4-(4-Methoxyphenyl)morpholine","","","","","","","","","","","","","","","","","","","","Cambridge id 5313571","","COC1=CC=C(C=C1)N2CCOCC2","FAAUAMNUAFGPAR-UHFFFAOYSA-N","389874",NA,"PDBC23040","686502","Present"
-"4-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-[6-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,4-dioxobutanoyl]amino]pyridin-2-yl]-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-[6-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,4-dioxobutanoyl]amino]pyridin-2-yl]-2,4-dioxobutanamide","","CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)CC(=O)C(=O)NC3=NC(=CC=C3)NC(=O)C(=O)CC(=O)C4=C(N=C(S4)C5=CN=CC=C5)C","BTMIPVUBVAHELL-UHFFFAOYSA-N","373333",NA,"PDBC23041","649549","Present"
-"4-(4-Methyl-5-isoxazolylamino)naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","4-[(4-Methyl-1,2-oxazol-5-yl)amino]naphthalene-1,2-dione","","CC1=C(ON=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32","ZCBJLZZTJOYJKA-UHFFFAOYSA-N","384244",NA,"PDBC23042","673785","Present"
-"4-(4-Methyl-benzylidene)-2-thioxo-thiazolidin-5-one","","","","","","","","","","","","","","","","","","","","4-(4-Methyl-benzylidene)-2-thioxo-thiazolidin-5-one","","CC1=CC=C(C=C1)C=C2C(=O)SC(=S)N2","QNGHOFFCLUVMAS-RMKNXTFCSA-N","5467673",NA,"PDBC23043","657724","Present"
-"4-(4-Methylbenzyl)-3-cinnolinol","","","","","","","","","","","","","","","","","","","","4-(4-Methylbenzyl)-3-cinnolinol","","CC1=CC=C(C=C1)CC2=C3C=CC=CC3=NNC2=O","FLLIVBQNLWXIAJ-UHFFFAOYSA-N","368589",NA,"PDBC23044","639685","Present"
-"4-(4-Methylphenyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","4-(4-Methylphenyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)C2","GAOFITLRMJPSMO-UHFFFAOYSA-N","371093",NA,"PDBC23045","645040","Present"
-"4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(3-Nitrophenyl)-4-p-tolyl-2,3-dihydrobenzo[b][1,4]thia...","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=CC=C4)[N+](=O)[O-]","PFFYFNYHJJAZOY-UHFFFAOYSA-N","321194",NA,"PDBC23046","270737","Present"
-"4-(4-Methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole","","","","","","","","","","","","","","","","","","","","4-(4-Methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole","","CC1=CC=C(C=C1)S(=O)C2=CC=C(C3=NON=C23)[N+](=O)[O-]","FRBRHPUZSWIODD-UHFFFAOYSA-N","313614",NA,"PDBC23047","228150","Present"
-"4-(4-Methylphenyl)sulfonylaniline;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC627710","","CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N.Cl","PMKZWMNZZFMSPQ-UHFFFAOYSA-N","363135",NA,"PDBC23048","627710","Present"
-"4-(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol","","","","","","","","","","","","","","","","","","","","4-(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol","","CSC1=NC=NC2=C1C=NN2CCCCO","WDMIETVUTVLRBV-UHFFFAOYSA-N","391134",NA,"PDBC23049","689860","Present"
-"4-(4-Methylthiostyryl)quinoline","","","","","","","","","","","","","","","","","","","","LS-142063","","CSC1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23","ULHYTJRGRNPACD-RMKNXTFCSA-N","5900081",NA,"PDBC23050","124637","Present"
-"4-(4-Morpholinyl)-N-phenylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","4-(4-Morpholinyl)-N-phenylbenzenesulfinamide","","C1COCCN1C2=CC=C(C=C2)S(=O)NC3=CC=CC=C3","DLLUSKNUQYXCID-UHFFFAOYSA-N","385385",NA,"PDBC23051","676559","Present"
-"4-(4-N-Methyl-N-nitrosaminostyryl)quinoline","","","","","","","","","","","","","","","","","","","","N-Methyl-N-nitroso-4-[2-(4-quinolinyl)ethenyl]benzenamine","","CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O","IJOCQJGYYDLLAT-RMKNXTFCSA-N","5284422",NA,"PDBC23052","101984","Present"
-"4-(4-Nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid","","","","","","","","","","","","","","","","","","","","4-(4-Nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid","","C1=CC(=CC=C1NC(=O)C(CC(=O)O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","VYWQPWLXSJFYMR-UHFFFAOYSA-N","382293",NA,"PDBC23053","669755","Present"
-"4-(4-Nitrophenyl)-1,2-bis(2,2,2-trichloroacetyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-(4-Nitrophenyl)-1,2-bis(2,2,2-trichloroacetyl)-1,2,4-triazolidine-3,5-dione","","C1=CC(=CC=C1N2C(=O)N(N(C2=O)C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl)[N+](=O)[O-]","CCBUCVOUUKQLEZ-UHFFFAOYSA-N","388177",NA,"PDBC23054","682742","Present"
-"4-(4-Nitrophenyl)-1-(2,2,2-trichloroacetyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-(4-Nitrophenyl)-1-(2,2,2-trichloroacetyl)-1,2,4-triazolidine-3,5-dione","","C1=CC(=CC=C1N2C(=O)NN(C2=O)C(=O)C(Cl)(Cl)Cl)[N+](=O)[O-]","VBYLJKKSZHRXGO-UHFFFAOYSA-N","388173",NA,"PDBC23055","682738","Present"
-"4-(4-Nitrophenyl)-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","2-(4-Methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine","","CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]","GKJVRCJXSQBFOV-UHFFFAOYSA-N","364785",NA,"PDBC23056","631544","Present"
-"4-(4-Nitrophenyl)-2-oxo-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-Nitrophenyl)-2-oxo-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-1H-pyridine-3-carbonitrile","","C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)[N+](=O)[O-])NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F","NMZYLRVTBXWPPS-UHFFFAOYSA-N","396052",NA,"PDBC23057","701379","Present"
-"4-(4-Nitrophenyl)-2-phenyl-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide","","","","","","","","","","","","","","","","","","","","4-(4-Nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine 1-oxide","","C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","MZVYOXUGAVSNHD-UHFFFAOYSA-N","364771",NA,"PDBC23058","631530","Present"
-"4-(4-Nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","4-(4-Nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","DAKAXKLZVBXXIP-UHFFFAOYSA-N","369426",NA,"PDBC23059","641196","Present"
-"4-(4-Nitrophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","","","","","","","","","","","","","","","","","","","4-(4-Nitrophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","C1=CC=C2C(=C1)C3=C(C2=O)NC(=S)NC3C4=CC=C(C=C4)[N+](=O)[O-]","DKNSHPMTIOWYPY-UHFFFAOYSA-N","3001714",NA,"PDBC23060","641189","Present"
-"4-(4-Nitrophenylazo)-1-naphthol","","","","","","","","","","","","","","","","","","","","magneson ii","","C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)[N+](=O)[O-]","MDLLSWJQIIAUQU-UHFFFAOYSA-N","79174",NA,"PDBC23061","5048","Present"
-"4-(4-Nitrosophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 2,6-dimethyl-4-(4-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)N=O)C(=O)OC","CRWKDQMPVPDWDH-UHFFFAOYSA-N","382112",NA,"PDBC23062","669505","Present"
-"4-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-N-[4-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)phenyl]benzamide","","","","","","","","","","","","","","","","","","","","4-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-N-[4-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)phenyl]benzamide","","C1C(=O)N(C(S1)C2=CC=CS2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5C(SCC5=O)C6=CC=CS6","FZGXYTGIQGZWPT-UHFFFAOYSA-N","397142",NA,"PDBC23063","704541","Present"
-"4-(4-Phenylpiperidin-4-ylcarbonyl)morpholine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC163376","","C1CNCCC1(C2=CC=CC=C2)C(=O)N3CCOCC3.Cl","BHPBCTQIGBZUCM-UHFFFAOYSA-N","21222050",NA,"PDBC23064","163376","Present"
-"4-(4-Quinolinylamino)benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-(4-Quinolinylamino)benzenesulfonic acid","","C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)S(=O)(=O)O","XIEIYHZJTBZWDX-UHFFFAOYSA-N","388375",NA,"PDBC23065","683267","Present"
-"4-(4-Tert-butyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)aniline","","","","","","","","","","","","","","","","","","","","4-(1-Tert-butyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)aniline","","CC(C)(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)N","PIGRCEILADLICK-UHFFFAOYSA-N","398093",NA,"PDBC23066","707458","Present"
-"4-(4-Thieno[2,3-d]pyrimidinylamino)-N-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-1H-3-pyrazole carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(thieno[2...","","CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C=CSC5=NC=N4","UDVJBRYBBSVDDS-UHFFFAOYSA-N","72194525",NA,"PDBC23067","781142","Present"
-"4-(4-Thieno[2,3-d]pyrimidinylamino)-N-(4-((4-morpholinyl)methyl)phenyl)-1H-3-pyrazolecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(morpholinomethyl)phenyl)-4-(thieno[2,3-d]pyrimidin...","","C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C=CSC5=NC=N4","WTKYHVUVQSLNBW-UHFFFAOYSA-N","72194526",NA,"PDBC23068","781141","Present"
-"4-(4-Toluidino)-1,2-naphthalenedione","","","","","","","","","","","","","","","","","","","","NSC117024","","CC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32","ICGLGYCHUQDWMB-UHFFFAOYSA-N","272567",NA,"PDBC23069","117024","Present"
-"4-(4-alpha-Cumylphenoxy)phthalonitrile","","","","","","","","","","","","","","","","","","","","C-46391","","CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC(=C(C=C3)C#N)C#N","IANCXVAWMHHHKK-UHFFFAOYSA-N","371798",NA,"PDBC23070","646243","Present"
-"4-(4-methylthiophenyl)-4-pheny-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","4-(4-methylthiophenyl)-4-pheny-2(5H)-furanone","","CSC1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3","UZLXCHVDUBCZMH-UHFFFAOYSA-N","11044235",NA,"PDBC23071","727210","Present"
-"4-(4H-1,4-Benzothiazin-2-yl)-N-(4-chlorophenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(4H-1,4-Benzothiazin-2-yl)-N-(4-chlorophenyl)-2,4-dioxobutanamide","","C1=CC=C2C(=C1)NC=C(S2)C(=O)CC(=O)C(=O)NC3=CC=C(C=C3)Cl","UHMODYWLYCEOBZ-UHFFFAOYSA-N","366533",NA,"PDBC23072","635142","Present"
-"4-(5'-Bromofuran-2'-yl)-3-bromo-but-3-en-2-one","","","","","","","","","","","","","","","","","","","","4-(5'-bromofuran-2'-yl)-3-bromo-but-3-en-2-one","","CC(=O)C(=CC1=CC=C(O1)Br)Br","NAFYCKOMKHQPGG-DAXSKMNVSA-N","45028185",NA,"PDBC23073","741412","Present"
-"4-(5,6,7,8,9,9a-Hexahydro-4bH-benzo[3,4]cyclobuta[1,2-a]cyclohepten-4b-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(5,6,7,8,9,9a-Hexahydro-4bH-benzo[3,4]cyclobuta[1,2-a]cyclohepten-4b-yl)morpholine","","C1CCC2C3=CC=CC=C3C2(CC1)N4CCOCC4","UQCULCXVYGZGMQ-UHFFFAOYSA-N","375511",NA,"PDBC23074","655292","Present"
-"4-(5,7-Diimino-4,5,6,7-tetrahydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(5,7-Diamino-2h-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid","","C1=CC(=CC=C1C(=O)O)N2N=C3C(=NC(=NC3=N2)N)N","KVXBIHJXRSJPIE-UHFFFAOYSA-N","271891",NA,"PDBC23075","115883","Present"
-"4-(5-(4-(Hydroxy(oxido)amino)phenyl)-2-furyl)-2-(4-toluidino)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","4-(5-(4-(Hydroxy(oxido)amino)phenyl)-2-furyl)-2-(4-toluidino)-1,3-thiazole","","CC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]","WKAJOJSMWLRESF-UHFFFAOYSA-N","367868",NA,"PDBC23076","638034","Present"
-"4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)Cl","APWBWASUHPOENO-UHFFFAOYSA-N","374213",NA,"PDBC23077","651703","Present"
-"4-(5-(4-Chlorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)-1,2-benzenediol","","","","","","","","","","","","","","","","","","","","4-(5-(4-Chlorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)-1,2-benzenediol","","C1=CC(=CN=C1)C2=C(NC(=N2)C3=CC(=C(C=C3)O)O)C4=CC=C(C=C4)Cl","XBQFLECFOCZWAR-UHFFFAOYSA-N","388626",NA,"PDBC23078","683637","Present"
-"4-(5-(4-Chlorophenyl)-4-(pyridin-3-yl)-1H-imidazol-2-yl)phenol","","","","","","","","","","","","","","","","","","","","4-(5-(4-chlorophenyl)-4-(pyridin-3-yl)-1H- imidazol-2-yl...","","C1=CC(=CN=C1)C2=C(NC(=N2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)Cl","GOSRVAHFGDUDAX-UHFFFAOYSA-N","388623",NA,"PDBC23079","683634","Present"
-"4-(5-(4-Fluorophenyl)-4-(2-quinolinyl)-1H-imidazol-2-yl)phenol","","","","","","","","","","","","","","","","","","","","4-(5-(4-Fluorophenyl)-4-(2-quinolinyl)-1H-imidazol-2-yl)phenol","","C1=CC=C2C(=C1)C=CC(=N2)C3=C(N=C(N3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)F","XDFZVUJUBUNVRP-UHFFFAOYSA-N","388624",NA,"PDBC23080","683635","Present"
-"4-(5-(4-Fluorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)phenol","","","","","","","","","","","","","","","","","","","","4-(5-(4-Fluorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)phenol","","C1=CC(=CN=C1)C2=C(NC(=N2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)F","BXBBQCDMNMVTBC-UHFFFAOYSA-N","388625",NA,"PDBC23081","683636","Present"
-"4-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)OC","MCNUDOMMWCXLIU-UHFFFAOYSA-N","374212",NA,"PDBC23082","651702","Present"
-"4-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)-2-butenyl acetate","","","","","","","","","","","","","","","","","","","","[(E)-4-(5-Amino-4-carbamoyl-imidazol-1-yl)but-2-enyl] acetate","","CC(=O)OCC=CCN1C=NC(=C1N)C(=O)N","GONVAVFLQGQCSK-NSCUHMNNSA-N","5785808",NA,"PDBC23083","676402","Present"
-"4-(5-Amino-4-cyano-1,3-oxazol-2-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","4-(5-Amino-4-cyano-1,3-oxazol-2-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid","","C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC3=NC(=C(O3)N)C#N)C(=O)O","WIPOYNURXKUHNM-UHFFFAOYSA-N","389099",NA,"PDBC23084","684784","Present"
-"4-(5-Aminonaphthalene-2-sulfonamido)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(5-aminonaphthalene-2-sulfonamido)benzoic acid","","C1=CC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)C(=C1)N","BAYMNCHSODLCJV-UHFFFAOYSA-N","235593",NA,"PDBC23085","37173","Present"
-"4-(5-Bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","3-[2-(7-azaindol-3-yl)-1,3-thiazol-4-yl)-5-bromo-1-methy...","","CN1C=C(C2=C1N=CC(=C2)Br)C3=CSC(=N3)C4=CNC5=C4C=CC=N5","BDODDYMVFYSHKH-UHFFFAOYSA-N","155805042",NA,"PDBC23086","760313","Present"
-"4-(5-Bromo-1H-indol-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","4-(5-Bromo-1H-indol-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole","","C1=CC=C2C(=C1)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=C(C=C5)Br","SUVOMQLBNJMOJC-UHFFFAOYSA-N","397544",NA,"PDBC23087","705864","Present"
-"4-(5-Bromo-1H-indol-3-yl)-2-(6-bromo-1H-indol-3-yl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","4-(5-Bromo-1H-indol-3-yl)-2-(6-bromo-1H-indol-3-yl)-1,3-thiazole","","C1=CC2=C(C=C1Br)NC=C2C3=NC(=CS3)C4=CNC5=C4C=C(C=C5)Br","JTEGNPNFMRHPOS-UHFFFAOYSA-N","397550",NA,"PDBC23088","705870","Present"
-"4-(5-Chloro-1H-benzimidazol-2-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","STL374142","","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)Cl)C(=O)O","NZFGXUUCPFNSSR-UHFFFAOYSA-N","376351",NA,"PDBC23089","657183","Present"
-"4-(5-Chloro-2-thienyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","4-(5-Chloro-2-thienyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","C1=CSC(=C1)C(=O)C(CC(=O)C2=CC=C(S2)Cl)C3=CSC=C3","ZGXNMTVHFWADMX-UHFFFAOYSA-N","376707",NA,"PDBC23090","657753","Present"
-"4-(5-Chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(5-Chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-2,4-dioxobutanamide","","CCC1=CC=CC(=C1NC(=O)C(=O)CC(=O)C2=CC=C(S2)Cl)C","IREFLQCAAHMAHE-UHFFFAOYSA-N","358490",NA,"PDBC23091","618498","Present"
-"4-(5-Ethynyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-[1,3]dioxan-5-ol","","","","","","","","","","","","","","","","","","","","NSC627084///NSC627085","","CC1(OCC(C(O1)C2C(OC(O2)(C)C)C#C)O)C","OKUCVXZFHKMXLL-UHFFFAOYSA-N","362806",NA,"PDBC23092","627084///627085","Present"
-"4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline","","","","","","","","","","","","","","","","","","","","4-(5-fluorobenzo[d]thiazol-2-yl)-2-methyl aniline","","CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)N","IFWLHIIUGSEKKE-UHFFFAOYSA-N","396813",NA,"PDBC23093","703786","Present"
-"4-(5-Fluoro-1,3-benzothiazol-2-yl)aniline","","","","","","","","","","","","","","","","","","","","ZX-AH054289","","C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)F)N","JRGMCDOYPGMMEE-UHFFFAOYSA-N","399247",NA,"PDBC23094","709923","Present"
-"4-(5-Formyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","4,4'-Bi[1,3-benzodioxole]-5,5'-dicarbaldehyde","","C1OC2=C(O1)C(=C(C=C2)C=O)C3=C(C=CC4=C3OCO4)C=O","LVXQWUJVBYNZJS-UHFFFAOYSA-N","372297",NA,"PDBC23095","647356","Present"
-"4-(5-Formylfuran-2-yl)benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","Cambridge id 6914720","","C1=CC(=CC=C1C2=CC=C(O2)C=O)S(=O)(=O)O","KUJZJDRDSDDLRJ-UHFFFAOYSA-N","381102",NA,"PDBC23096","667265","Present"
-"4-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-2-methylthiazole","","","","","","","","","","","","","","","","","","","","4-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-2-methylthiazole","","CC1=NC(=CS1)C2=CN(C3=C2C(=O)C(=CC3=O)OC)C","MNQRISIHUPZBEY-UHFFFAOYSA-N","392621",NA,"PDBC23097","693180","Present"
-"4-(5-Methyl-2-thiazolin-2-ylamino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","ZX-AH057746","","CC1CN=C(S1)NC2=CC=C(C=C2)S(=O)(=O)N","HVOJLSZZFBEAOA-UHFFFAOYSA-N","383603",NA,"PDBC23098","672021","Present"
-"4-(5-Methyl-2-thienyl)-2-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-(5-Methyl-2-thienyl)-2-oxobutanoic acid","","CC1=CC=C(S1)CCC(=O)C(=O)O","BAZNCHPAIKWYFC-UHFFFAOYSA-N","366803",NA,"PDBC23099","635575","Present"
-"4-(5-Oxo-2-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-(5-Oxo-2-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxylic acid","","C1=CC=C(C=C1)N2C(=CC(=O)N2)C3=C(C=NC=C3)C(=O)O","WWZIJABQRVBLEI-UHFFFAOYSA-N","389476",NA,"PDBC23100","685684","Present"
-"4-(5-Phenylfuran-2-yl)benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC17602","","C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N.Cl","OLMFQZSBFFZCES-UHFFFAOYSA-N","54603891",NA,"PDBC23101","17602","Present"
-"4-(5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraen-3-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(Morpholin-4-yl)-2-(2-pyridyl)-5,6,7,8,9,10-hexahydroc...","","C1CCCC2=C(CC1)C3=C(N=C(N=C3S2)C4=CC=CC=N4)N5CCOCC5","BEHDFYFGWLKGJK-UHFFFAOYSA-N","72196728",NA,"PDBC23102","764313","Present"
-"4-(5-Tert-Butyl-1,3-dioxo-3,3a,3b,4,5,6,7,7a,12,12b-decahydrobenzo[c]pyrrolo[3,4-a]carbazol-2(1H)-yl)phenyl acetate","","","","","","","","","","","","","","","","","","","","[4-(9-Tert-butyl-3,5-dioxo-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraen-4-yl)phenyl] acetate","","CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","NGHZDEOYHINSAY-UHFFFAOYSA-N","381768",NA,"PDBC23103","668840","Present"
-"4-(5-Thiophen-2-ylthiophen-2-yl)-2,1,3-benzothiadiazole","","","","","","","","","","","","","","","","","","","","7-[5-(2-Thienyl)-2-thienyl]-2,1,3-benzothiadiazole","","C1=CC2=NSN=C2C(=C1)C3=CC=C(S3)C4=CC=CS4","HMJKBNPZAYGUTI-UHFFFAOYSA-N","396295",NA,"PDBC23104","701995","Present"
-"4-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)butanoic acid","","","","","","","","","","","","","","","","","","","","4-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)butanoic acid","","C1C2=CN=C(N=C2C3=CC=CC=C3O1)NCCCC(=O)O","BLGUTJMVLOQHIW-UHFFFAOYSA-N","390583",NA,"PDBC23105","688106","Present"
-"4-(6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)phenol","","","","","","","","","","","","","","","","","","","","4-(6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)phenol","","C1CC2=C(C3=C(C4=C(CC3)C=CC(=C4)Br)N=C2C5=C1C=CC(=C5)Br)C6=CC=C(C=C6)O","OJXUNOXCMIRRFT-UHFFFAOYSA-N","395733",NA,"PDBC23106","700532","Present"
-"4-(6,7-Dihydro-5H-benzo[a]cyclohepten-9-yl)-3,5-dimethylisoxazole","","","","","","","","","","","","","","","","","","","","4-(6,7-Dihydro-5H-benzo[a]cyclohepten-9-yl)-3,5-dimethylisoxazole","","CC1=C(C(=NO1)C)C2=CCCCC3=CC=CC=C32","KJMBLGRZNSUYPG-UHFFFAOYSA-N","366361",NA,"PDBC23107","634737","Present"
-"4-(6,7-Dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-((6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)-N-...","","CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4CCC5","JBSNOLNNNWMLEG-UHFFFAOYSA-N","155816577",NA,"PDBC23108","781146","Present"
-"4-(6,7-Dimethoxyisoquinolin-1-yl)-2-methoxyphenol;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC627513","","COC1=C(C=CC(=C1)C2=NC=CC3=CC(=C(C=C32)OC)OC)O.Cl","CLCFCJXIGZNOKQ-UHFFFAOYSA-N","362982",NA,"PDBC23109","627513","Present"
-"4-(6,7-Dimethyl-1,4-dioxidoquinoxalin-2-yl)-N-(4-ethoxyphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-(6,7-Dimethyl-1,4-dioxidoquinoxalin-2-yl)-N-(4-ethoxyphenyl)-2,4-dioxobutanamide","","CCOC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C[N+](=O)C3=C(N2[O-])C=C(C(=C3)C)C","ODGIYOJXUVTTMH-UHFFFAOYSA-N","364328",NA,"PDBC23110","630343","Present"
-"4-(6,8,8-Trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)aniline","","","","","","","","","","","","","","","","","","","","4-(6,8,8-Trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)aniline","","CC1=NN2C(=NN=C2NC(C1)(C)C)C3=CC=C(C=C3)N","XJVSJJSJLNKGRZ-UHFFFAOYSA-N","369065",NA,"PDBC23111","640622","Present"
-"4-(6-((2-Hydroxyethyl)amino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol","","","","","","","","","","","","","","","","","","","","4-[6-(2-Hydroxyethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol","","CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=CC(=C(C(=C4)OC)O)OC","PLYMCEKNTUNNOM-UHFFFAOYSA-N","383136",NA,"PDBC23112","671177","Present"
-"4-(6-(4-(Acetyloxy)phenyl)-1,2,4,5-tetraazin-3-yl)phenyl acetate","","","","","","","","","","","","","","","","","","","","4-(6-(4-(Acetyloxy)phenyl)-1,2,4,5-tetraazin-3-yl)phenyl acetate","","CC(=O)OC1=CC=C(C=C1)C2=NN=C(N=N2)C3=CC=C(C=C3)OC(=O)C","TYKODHCBDTYDJS-UHFFFAOYSA-N","385841",NA,"PDBC23113","677238","Present"
-"4-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol","","","","","","","","","","","","","","","","","","","","4-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol","","CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)O)OC)C","OMMBEWHNDYJBLZ-UHFFFAOYSA-N","383129",NA,"PDBC23114","671170","Present"
-"4-(6-Aminopurin-9-yl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2-thione","","","","","","","","","","","","","","","","","","","","4-(6-Aminopurin-9-yl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2-thione","","CC(C)(C)[Si](C)(C)OCC1C2C(C(O1)N3C=NC4=C(N=CN=C43)N)OC(=S)O2","BPEOZWDRWRDXPZ-UHFFFAOYSA-N","357472",NA,"PDBC23115","616357","Present"
-"4-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol","","","","","","","","","","","","","","","","","","","","4-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol","","CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)O)OC","KIMKJIOHFAZKKP-UHFFFAOYSA-N","383135",NA,"PDBC23116","671176","Present"
-"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(2,6-dichlorophenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(2,6-dichlorophenyl)azetidin-2-one","","C1=CC(=C(C(=C1)Cl)N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl","MNJGKVUCKBAOIV-UHFFFAOYSA-N","402320",NA,"PDBC23117","716211","Present"
-"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-chlorophenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-chlorophenyl)azetidin-2-one","","C1=CC(=CC=C1N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl","IDWKHNRJAGCQDC-UHFFFAOYSA-N","402318",NA,"PDBC23118","716209","Present"
-"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-methoxyphenyl)azetidin-2-one","","","","","","","","","","","","","","","","","","","","4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-methoxyphenyl)azetidin-2-one","","COC1=CC=C(C=C1)N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl","YZGQWJZFEFQYRQ-UHFFFAOYSA-N","402321",NA,"PDBC23119","716212","Present"
-"4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-((4-methylpiperazin-1-yl)methyl)phenol, dihydrochloride","","","","","","","","","","","","","","","","","","","","4-(6-chloro-2-methoxyacridin-9-ylamino)-2-((4-methylpipe...","","CN1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=C(C=CC4=NC5=C3C=CC(=C5)Cl)OC)O.Cl","JSMKCCIMZBFWNW-UHFFFAOYSA-N","54612358",NA,"PDBC23120","130813","Present"
-"4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-((diethylamino)methyl)phenol, dihydrochloride","","","","","","","","","","","","","","","","","","","","4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-((diethylamino...","","CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O.Cl","YBRBNBZHYBLSCX-UHFFFAOYSA-N","24181668",NA,"PDBC23121","10666","Present"
-"4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-(pyrrolidin-1-ylmethyl)phenol, hydrochloride","","","","","","","","","","","","","","","","","","","","4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-(pyrrolidin-1-...","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C=C4)O)CN5CCCC5.Cl","ASUQZHXPGCWMCY-UHFFFAOYSA-N","24181914",NA,"PDBC23122","12516","Present"
-"4-(6-Chloro-2H-chromen-3-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(6-Chloro-2H-chromen-3-yl)benzoic acid","","C1C(=CC2=C(O1)C=CC(=C2)Cl)C3=CC=C(C=C3)C(=O)O","PIOIBWBMPBCUMO-UHFFFAOYSA-N","374610",NA,"PDBC23123","652579","Present"
-"4-(6-Chloro-3-methyl-4-phenyl-2-quinolyl)morpholine","","","","","","","","","","","","","","","","","","","","4-(6-Chloro-3-methyl-4-phenyl-2-quinolyl)morpholine","","CC1=C(C2=C(C=CC(=C2)Cl)N=C1N3CCOCC3)C4=CC=CC=C4","XIPISGAGLNSPPU-UHFFFAOYSA-N","494846",NA,"PDBC23124","633852","Present"
-"4-(6-Chloro-3-nitro-2H-chromen-2-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(6-Chloro-3-nitro-2H-chromen-2-yl)benzonitrile","","C1=CC(=CC=C1C#N)C2C(=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]","AJXMNMUPAFAGSL-UHFFFAOYSA-N","381074",NA,"PDBC23125","667225","Present"
-"4-(6-Chloroquinoxalin-2-yloxy)phenol","","","","","","","","","","","","","","","","","","","","Phenol, 4-[(6-chloro-2-quinoxalinyl)oxy]-","","C1=CC(=CC=C1O)OC2=CN=C3C=C(C=CC3=N2)Cl","UVYFSLAJRJHGJB-UHFFFAOYSA-N","10989408",NA,"PDBC23126","752339","Present"
-"4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-iodoaniline","","","","","","","","","","","","","","","","","","","","4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-iodoaniline","","C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)F)I)N","YTJFKVURYWRVQQ-UHFFFAOYSA-N","396350",NA,"PDBC23127","702154","Present"
-"4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline","","","","","","","","","","","","","","","","","","","","4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline","","CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)N","WKAIATUUHWQMHK-UHFFFAOYSA-N","396352",NA,"PDBC23128","702156","Present"
-"4-(6-Fluoro-1,3-benzothiazol-2-yl)aniline","","","","","","","","","","","","","","","","","","","","C13H9FN2S","","C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)F)N","FIHRCVGMRDXVHA-UHFFFAOYSA-N","396349",NA,"PDBC23129","702153","Present"
-"4-(6-Formyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","4-(6-Formyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carbaldehyde","","C1OC2=C(O1)C(=C(C=C2)C=O)C3=CC4=C(C=C3C=O)OCO4","ZYOJKEQLLZLOQU-UHFFFAOYSA-N","372310",NA,"PDBC23130","647369","Present"
-"4-(6-Formyl-2,3,4-trimethoxyphenyl)-1,3-benzodioxole-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","4-(6-Formyl-2,3,4-trimethoxyphenyl)-1,3-benzodioxole-5-carbaldehyde","","COC1=C(C(=C(C(=C1)C=O)C2=C(C=CC3=C2OCO3)C=O)OC)OC","XGUFABFDVMVGGF-UHFFFAOYSA-N","372305",NA,"PDBC23131","647364","Present"
-"4-(6-Hydrazino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol","","","","","","","","","","","","","","","","","","","","4-(6-Hydrazino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol","","CC1C(C2=CC3=C(C=C2OC1NN)OCO3)C4=CC(=C(C(=C4)OC)O)OC","SWKDOMTZLKUFNX-UHFFFAOYSA-N","383133",NA,"PDBC23132","671174","Present"
-"4-(6-Imino-3-methyl-1-(phenylacetyl)-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-1,3-benzenediol","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(2,4- dihydrox...","","CC1=NN(C2=C1C(SC(=N2)N)C3=C(C=C(C=C3)O)O)C(=O)CC4=CC=CC=C4","XHZINRPMSVVDRP-UHFFFAOYSA-N","376465",NA,"PDBC23133","657379","Present"
-"4-(6-Imino-3-methyl-1-(phenylacetyl)-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenol","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-hydroxy- 3-...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)O)OC)C(=O)CC4=CC=CC=C4","FLXXMSSPZPMSQN-UHFFFAOYSA-N","376468",NA,"PDBC23134","657382","Present"
-"4-(6-Iodo-4-oxo-2-(2-thienyl)-3H-quinazolin-3-yl)benzenesulf onamide","","","","","","","","","","","","","","","","","","","","4-(6-iodo-4-oxo-2-(2-thienyl)-3H-quinazolin-3-yl)benzene...","","C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)N","XCCVNECOLPVDDK-UHFFFAOYSA-N","404720",NA,"PDBC23135","721191","Present"
-"4-(6-Methoxy-1H-indol-3-yl)-4-piperidinol","","","","","","","","","","","","","","","","","","","","4-Piperidinol, 4-(6-methoxy-1H-indol-3-yl)-","","COC1=CC2=C(C=C1)C(=CN2)C3(CCNCC3)O","QNDSCDZSZHZARY-UHFFFAOYSA-N","362469",NA,"PDBC23136","626419","Present"
-"4-(6-Methoxyimidazo[1,2-a]pyridin-2-yl)phenol","","","","","","","","","","","","","","","","","","","","AQ-776/42801523","","COC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)O","ZHWJONXIBRILIF-UHFFFAOYSA-N","398288",NA,"PDBC23137","708002","Present"
-"4-(6-Methoxynaphthalen-2-yl)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-(6-Methoxy-2-naphthyl)-4-oxobutanoic acid","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)CCC(=O)O","YZMQJAKSFUZRNH-UHFFFAOYSA-N","240466",NA,"PDBC23138","46669","Present"
-"4-(6-Methoxyquinolin-2-yl)phenol","","","","","","","","","","","","","","","","","","","","4-(6-Methoxyquinolin-2-yl)phenol","","COC1=CC2=C(C=C1)N=C(C=C2)C3=CC=C(C=C3)O","UHPHCUBVWLTRQH-UHFFFAOYSA-N","372264",NA,"PDBC23139","647320","Present"
-"4-(6-Thioguanine)-7-nitro-2,1,3-benzoxadiazole","","","","","","","","","","","","","","","","","","","","4-(6-Thioguanine)-7-nitro-2,1,3-benzoxadiazole","","C1=C(C2=NON=C2C(=C1)SC3=NC(=NC4=C3NC=N4)N)[N+](=O)[O-]","NPXXCZXQTLRXTP-UHFFFAOYSA-N","3246652",NA,"PDBC23140","348401","Present"
-"4-(6-chlorochroman-3-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(6-chlorochroman-3-yl)benzoic acid","","C1C(COC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O","IKIPJRAJLLHCEX-UHFFFAOYSA-N","374611",NA,"PDBC23141","652580","Present"
-"4-(7,10-Dihydroxy-6,11-dioxo-13H-naphtho[2,3-b][1,4]benzoxazepin-12-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(7,10-dihydroxy-6,11-dioxobenzo[f]naphtho[2,3-b][1,4]o...","","C1C2=CC=CC=C2OC3=C(N1C4=CC=C(C=C4)C#N)C(=O)C5=C(C=CC(=C5C3=O)O)O","HLNFJUMBEWNQDW-UHFFFAOYSA-N","155807173",NA,"PDBC23142","787553","Present"
-"4-(7-(4-((5-(1,2-Dithiolan-3-yl)pentanoyl)oxy)-3-methoxyphenyl)-3,5-dioxo-1,6-heptadienyl)-2-methoxyphenyl 5-(1,2-dithiolan-3-yl)pentanoate","","","","","","","","","","","","","","","","","","","","[4-[(1E,6E)-7-[4-[5-(Dithiolan-3-yl)pentanoyloxy]-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] 5-(dithiolan-3-yl)pentanoate","","COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CCCCC3CCSS3)OC)OC(=O)CCCCC4CCSS4","DPVWJNIHOZALNN-JOBJLJCHSA-N","5470826",NA,"PDBC23143","705592","Present"
-"4-(7-(Benzylamino)-5-(4-hydroxyphenyl)-4-oxo-3,5-d]pyrimidin-2-ylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(7-(benzylamino)-5-(4-hydroxyphenyl)-4-oxo-3,4-dihydro...","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC4=NC(=NC(=C4C(=O)N3)C5=CC=C(C=C5)O)NCC6=CC=CC=C6)C","WVSGVGVNAQHUJQ-UHFFFAOYSA-N","135958480",NA,"PDBC23144","745476","Present"
-"4-(7-Amino-5-ethyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(7-Amino-5-ethyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile","","CCC1=NC(=C2C(=N1)OC(=N2)C3=CC=C(C=C3)C#N)N","HKUGVRJSNFNYIF-UHFFFAOYSA-N","387394",NA,"PDBC23145","681142","Present"
-"4-(7-Amino-5-hydroxy-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(7-Amino-5-hydroxy-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl)benzenesulfonamide","","C1C2=C(NCN1C3=CC=C(C=C3)S(=O)(=O)N)N=C(NC2=O)N","IINCNPYFRSFCNX-UHFFFAOYSA-N","135403642",NA,"PDBC23146","92588","Present"
-"4-(7-Amino-5-phenyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(7-Amino-5-phenyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile","","C1=CC=C(C=C1)C2=NC(=C3C(=N2)OC(=N3)C4=CC=C(C=C4)C#N)N","PJYHAKBFVRVIRZ-UHFFFAOYSA-N","387395",NA,"PDBC23147","681143","Present"
-"4-(7-Amino[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(7-Amino[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile","","C1=CC(=CC=C1C#N)C2=NC3=C(N=CN=C3O2)N","YLTVFFDVCYRXMO-UHFFFAOYSA-N","387393",NA,"PDBC23148","681141","Present"
-"4-(7-Hydroxy[1,8]naphthyridin-2-yl)-1-piperazinecarbaldehyde","","","","","","","","","","","","","","","","","","","","4-(7-Hydroxy[1,8]naphthyridin-2-yl)-1-piperazinecarbaldehyde","","C1CN(CCN1C=O)C2=NC3=C(C=CC(=O)N3)C=C2","SEHMWXCUJLLEPQ-UHFFFAOYSA-N","5466378",NA,"PDBC23149","687683","Present"
-"4-(7-Methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(7-Methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C(=C(C=C5)OC)OC)OC","HGHUYKKORHUPOC-UHFFFAOYSA-N","380578",NA,"PDBC23150","666228","Present"
-"4-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C=C(C=C5OC)OC)OC","UDLVQRWGRXVIGM-UHFFFAOYSA-N","380588",NA,"PDBC23151","666238","Present"
-"4-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","","","","","","","","","","","","","","","","","","","6H-1,3-Dioxolo[4,5-g][1]benzopyran, 7,8-dihydro- 7-methy...","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","NIAGVHRQRDGPQR-UHFFFAOYSA-N","380567",NA,"PDBC23152","666217","Present"
-"4-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC6=C(C=C5)OCO6","OFUMSTVCETVCLF-UHFFFAOYSA-N","380572",NA,"PDBC23153","666222","Present"
-"4-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C(=CC=C5)OC)OC","HDTMGYJCRVULBM-UHFFFAOYSA-N","380569",NA,"PDBC23154","666219","Present"
-"4-(8-(2,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(8-(2,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C=C(C=C5)OC)OC","NJSSNAKBDXXDTB-UHFFFAOYSA-N","380570",NA,"PDBC23155","666220","Present"
-"4-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=CC=C5OC","PFCLMKILYKMDPO-UHFFFAOYSA-N","380566",NA,"PDBC23156","666216","Present"
-"4-(8-(3,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(8-(3,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C=C5)OC)OC","ZPZCSHSXNVEFPP-UHFFFAOYSA-N","380575",NA,"PDBC23157","666225","Present"
-"4-(8-(4-Chlorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(8-(4-Chlorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=C(C=C5)Cl","MTZMFRTXAVZTJP-UHFFFAOYSA-N","380581",NA,"PDBC23158","666231","Present"
-"4-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","","","","","","","","","","","","","","","","","","","4-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=C(C=C5)OC","YALHRVPUHAFPQG-UHFFFAOYSA-N","380565",NA,"PDBC23159","666215","Present"
-"4-(8-(Aminocarbonyl)-6,7-dimethyl-4-oxo-4H-chromen-2-yl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(8-(Aminocarbonyl)-6,7-dimethyl-4-oxo-4H-chromen-2-yl)benzoic acid","","CC1=CC2=C(C(=C1C)C(=O)N)OC(=CC2=O)C3=CC=C(C=C3)C(=O)O","URLAHZRXOKHCHA-UHFFFAOYSA-N","364121",NA,"PDBC23160","629790","Present"
-"4-(8-Methoxy-3-nitro-2H-chromen-2-yl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-(8-Methoxy-3-nitro-2H-chromen-2-yl)benzonitrile","","COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)C#N","XVVGBUXDPDFKTQ-UHFFFAOYSA-N","381075",NA,"PDBC23161","667226","Present"
-"4-(9-Acridinylthio)aniline","","","","","","","","","","","","","","","","","","","","Benzeneamine, 4-[(9-acridinyl)thio]-","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CC=C(C=C4)N","JYBPGFSVVDVWIC-UHFFFAOYSA-N","371141",NA,"PDBC23162","645145","Present"
-"4-(9-Anthrylmethyl)-7-methoxy-8-isoquinolinol","","","","","","","","","","","","","","","","","","","","4-(9-Anthrylmethyl)-7-methoxy-8-isoquinolinol","","COC1=C(C2=C(C=C1)C(=CN=C2)CC3=C4C=CC=CC4=CC5=CC=CC=C53)O","JHFFMOBBXABAMC-UHFFFAOYSA-N","135431975",NA,"PDBC23163","131734","Present"
-"4-(9-Phenanthryl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine","","","","","","","","","","","","","","","","","","","","4-(9-Phenanthryl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine","","C1CNC(C2=C1NC=N2)C3=CC4=CC=CC=C4C5=CC=CC=C53","CBYUYCTYGJQFGR-UHFFFAOYSA-N","368197",NA,"PDBC23164","638625","Present"
-"4-(9H-Carbazol-9-ylamino)-3-methylphenyl acetate","","","","","","","","","","","","","","","","","","","","4-(9H-Carbazol-9-ylamino)-3-methylphenyl acetate","","CC1=C(C=CC(=C1)OC(=O)C)NN2C3=CC=CC=C3C4=CC=CC=C42","NXKCPQKYXQJKFR-UHFFFAOYSA-N","375388",NA,"PDBC23165","655060","Present"
-"4-(Acetoacetylamino)phenyl sulfamate","","","","","","","","","","","","","","","","","","","","4-(Acetoacetylamino)phenyl sulfamate","","CC(=O)CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)N","HFSOTMRDVHWYCU-UHFFFAOYSA-N","365129",NA,"PDBC23166","632229","Present"
-"4-(Acetyl) amphilectolide","","","","","","","","","","","","","","","","","","","","4-(Acetyl) amphilectolide","","CC1CCC2C(CC(C3(C2=C1C(=O)O3)C(=O)C)C=C(C)C)C","PXCHWVYLOMSEFM-GNZIPCMJSA-N","404627",NA,"PDBC23167","721055","Present"
-"4-(Acetylamino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C2)C)NC(=O)C","DQQGEOTYVFSRGQ-UHFFFAOYSA-N","273548",NA,"PDBC23168","118836","Present"
-"4-(Acetylamino)-N-(2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=C(C=C(C=C3)OC)OC","VIZWKYMCGBCGHE-UHFFFAOYSA-N","375548",NA,"PDBC23169","655336","Present"
-"4-(Acetylamino)-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C(=C3)Br)O)OC","ZCJAKMCEPSEHHG-UHFFFAOYSA-N","374186",NA,"PDBC23170","651662","Present"
-"4-(Acetylamino)-N-(2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]","DEDOOFKBHPSBOY-UHFFFAOYSA-N","375547",NA,"PDBC23171","655335","Present"
-"4-(Acetylamino)-N-(2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC=C(C=C3)O","MCHUTPWPBRZRBK-UHFFFAOYSA-N","375546",NA,"PDBC23172","655334","Present"
-"4-(Acetylamino)-N-(2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC=C(C=C3)OC","ASLIDZCDIOKTLE-UHFFFAOYSA-N","375545",NA,"PDBC23173","655333","Present"
-"4-(Acetylamino)-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=C(C=CC(=C3)Br)O","KWNMQIRTJRMJMU-UHFFFAOYSA-N","374190",NA,"PDBC23174","651666","Present"
-"4-(Acetylamino)-N-(3-chloro-2-(2-furylmethylene)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(3-chloro-2-(2-furylmethylene)-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(=CC3=CC=CO3)C(C2=O)Cl","RBFYPIYXDYCZLF-ZROIWOOFSA-N","6477374",NA,"PDBC23175","651665","Present"
-"4-(Acetylamino)-N-(3-chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(3-chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3O","KOORPEXWDFHDOD-UHFFFAOYSA-N","374180",NA,"PDBC23176","651656","Present"
-"4-(Acetylamino)-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)OC)OC","RWIZYFRKHLJFKW-UHFFFAOYSA-N","374185",NA,"PDBC23177","651661","Present"
-"4-(Acetylamino)-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=C(C(=CC(=C3)Br)Br)O","YNJWHZUHXFDTOL-UHFFFAOYSA-N","374188",NA,"PDBC23178","651664","Present"
-"4-(Acetylamino)-N-(3-chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(3-chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)[N+](=O)[O-]","UJKDDLCIUWQQGU-UHFFFAOYSA-N","374193",NA,"PDBC23179","651669","Present"
-"4-(Acetylamino)-N-(3-chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(3-chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-]","KLKYLTUVEVYSPX-UHFFFAOYSA-N","374183",NA,"PDBC23180","651659","Present"
-"4-(Acetylamino)-N-(3-chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(3-chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)Cl","QCEQRDCZBULHAX-UHFFFAOYSA-N","374192",NA,"PDBC23181","651668","Present"
-"4-(Acetylamino)-N-(3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)O)OC","YCHMHIPPMJWXPU-UHFFFAOYSA-N","374184",NA,"PDBC23182","651660","Present"
-"4-(Acetylamino)-N-(3-chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(3-chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O","FRYOMEJLSYGIOX-UHFFFAOYSA-N","374182",NA,"PDBC23183","651658","Present"
-"4-(Acetylamino)-N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3","RPSARJLPRTVKIJ-UHFFFAOYSA-N","374179",NA,"PDBC23184","651655","Present"
-"4-(Acetylamino)-N-(4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Acetylamino)-N-(4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","HRWLIZTXVYDLSM-UHFFFAOYSA-N","375549",NA,"PDBC23185","655337","Present"
-"4-(Aminomethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","pamba","","C1=CC(=CC=C1CN)C(=O)O","QCTBMLYLENLHLA-UHFFFAOYSA-N","65526",NA,"PDBC23186","41629","Present"
-"4-(Anilinomethyl)-N,N-bis(2-chloroethyl)aniline","","","","","","","","","","","","","","","","","","","","4-(Anilinomethyl)-N,N-bis(2-chloroethyl)aniline","","C1=CC=C(C=C1)NCC2=CC=C(C=C2)N(CCCl)CCCl","XWEUZDBSLDJWAS-UHFFFAOYSA-N","253728",NA,"PDBC23187","76937","Present"
-"4-(Anilinomethyl)-N-(4-chlorophenyl)phthalazin-1-amine","","","","","","","","","","","","","","","","","","","","NSC783920","","C1=CC=C(C=C1)NCC2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Cl","XUECCVVYTGAOGP-UHFFFAOYSA-N","155805922",NA,"PDBC23188","783920","Present"
-"4-(Benzenesulfonyl)-1-[2-(furan-3-yl)-1,3-dioxolan-2-yl]-5,7-dimethyloct-6-en-3-ol","","","","","","","","","","","","","","","","","","","","4-(Benzenesulfonyl)-1-[2-(3-furyl)-1,3-dioxolan-2-yl]-5,7-dimethyl-oct-6-en-3-ol","","CC(C=C(C)C)C(C(CCC1(OCCO1)C2=COC=C2)O)S(=O)(=O)C3=CC=CC=C3","JMAHDGVYPVQQEU-UHFFFAOYSA-N","395714",NA,"PDBC23189","700512","Present"
-"4-(Benzenesulfonyl)-2,2-dimethyl-1,5-benzodioxepine","","","","","","","","","","","","","","","","","","","","4-(Benzenesulfonyl)-2,2-dimethyl-1,5-benzodioxepine","","CC1(C=C(OC2=CC=CC=C2O1)S(=O)(=O)C3=CC=CC=C3)C","VSOBNHIKOBGTCE-UHFFFAOYSA-N","386473",NA,"PDBC23190","678499","Present"
-"4-(Benzenesulfonyl)-7-methyl-1-(2-methyl-1,3-dioxolan-2-yl)oct-6-ene-3,5-diol","","","","","","","","","","","","","","","","","","","","4-(Benzenesulfonyl)-7-methyl-1-(2-methyl-1,3-dioxolan-2-yl)oct-6-ene-3,5-diol","","CC(=CC(C(C(CCC1(OCCO1)C)O)S(=O)(=O)C2=CC=CC=C2)O)C","RDJDOTSCUNITOZ-UHFFFAOYSA-N","395715",NA,"PDBC23191","700513","Present"
-"4-(Benzenesulfonyl)but-2-ynylsulfonylbenzene","","","","","","","","","","","","","","","","","","","","2-Butyne, 1,4-bis(phenylsulfonyl)-","","C1=CC=C(C=C1)S(=O)(=O)CC#CCS(=O)(=O)C2=CC=CC=C2","WWLQHAQPJMNZBH-UHFFFAOYSA-N","400843",NA,"PDBC23192","713368","Present"
-"4-(Benzhydrylideneamino)-3-ethyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-(Benzhydrylideneamino)-5-ethyl-2h-1,2,4-triazol-3-one","","CCC1=NNC(=O)N1N=C(C2=CC=CC=C2)C3=CC=CC=C3","LCZQEXRTQGLNAB-UHFFFAOYSA-N","397827",NA,"PDBC23193","706417","Present"
-"4-(Benzhydrylideneamino)-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-(Benzhydrylideneamino)-5-methyl-2h-1,2,4-triazol-3-one","","CC1=NNC(=O)N1N=C(C2=CC=CC=C2)C3=CC=CC=C3","KYZWZOMAOZALDU-UHFFFAOYSA-N","397825",NA,"PDBC23194","706415","Present"
-"4-(Benzimidazol-1-yl)-6,8,11-trimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","4-(1H-benzo[d]imidazol-1-yl)-6,8,11-trimethyl-6,11-dihyd...","","CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)C)C)N4C=NC5=CC=CC=C54","DMGFYWZVQXIMLP-UHFFFAOYSA-N","155814838",NA,"PDBC23195","786114","Present"
-"4-(Benzimidazol-1-yl)-8-methoxy-6,11-dimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","4-(1H-benzo[d]imidazol-1-yl)-8-methoxy-6,11-dimethyl-6,1...","","CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)OC)C)N4C=NC5=CC=CC=C54","VSNUFFDGOMOKCA-UHFFFAOYSA-N","155805455",NA,"PDBC23196","782548","Present"
-"4-(Benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole","","","","","","","","","","","","","","","","","","","","4-(benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyph...","","CN1N=C(C(=N1)C2=CC3=CC=CC=C3S2)C4=CC(=C(C(=C4)OC)OC)OC","PRHJOOURPYYDPA-UHFFFAOYSA-N","127036247",NA,"PDBC23197","781600","Present"
-"4-(Benzo[d]oxazol-2-yl)-2-thiocyanatobenzenamine","","","","","","","","","","","","","","","","","","","","4-(Benzo[d]oxazol-2-yl)-2-thiocyanatobenzenamine","","C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)N)SC#N","MZNVXAYGRQLPSM-UHFFFAOYSA-N","24204324",NA,"PDBC23198","731366","Present"
-"4-(Benzo[d]thiazol-2-yl)-2-bromoaniline","","","","","","","","","","","","","","","","","","","","aniline, 2-bromo-4-(2-benzothiazolyl)-","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)Br","PZNQWLHSPUPLEL-UHFFFAOYSA-N","387948",NA,"PDBC23199","682301","Present"
-"4-(Benzothien-2''-yl)-3-acetylethenyl-1,-dihydronaphthalen e","","","","","","","","","","","","","","","","","","","","4-(Benzothien-2''-yl)-3-acetylethenyl-1,2,-dihydronaphth...","","CC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CC4=CC=CC=C4S3","TWLAAKDEEIVIIY-ZHACJKMWSA-N","24205615",NA,"PDBC23200","736242","Present"
-"4-(Benzotriazol-1-ylmethyl)-2-methyl-5-nitro-benzotriazole","","","","","","","","","","","","","","","","","","","","4-(Benzotriazol-1-ylmethyl)-2-methyl-5-nitro-benzotriazole","","CN1N=C2C=CC(=C(C2=N1)CN3C4=CC=CC=C4N=N3)[N+](=O)[O-]","BGXKBBIXBGDHDI-UHFFFAOYSA-N","389381",NA,"PDBC23201","685429","Present"
-"4-(Benzyl-isopropyl-amino)-5-mercapto-[1,2]dithiole-3-thione","","","","","","","","","","","","","","","","","","","","4-(Benzyl-isopropyl-amino)-5-mercapto-[1,2]dithiole-3-th...","","CC(C)N(CC1=CC=CC=C1)C2=C(SSC2=S)S","WAWBNFNVNUWTBN-UHFFFAOYSA-N","45028241",NA,"PDBC23202","741889","Present"
-"4-(Benzylamino)-6-(1H-indol-3-yl)-4,5-dihydro-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","4-(Benzylamino)-6-(1H-indol-3-yl)-4,5-dihydro-3(2H)-pyridazinone","","C1C(C(=O)NN=C1C2=CNC3=CC=CC=C32)NCC4=CC=CC=C4","XRBKJTOJCKAIQN-UHFFFAOYSA-N","392041",NA,"PDBC23203","691840","Present"
-"4-(Benzylideneamino)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-(Benzylideneamino)-1,2,4-triazolidine-3,5-dione","","C1=CC=C(C=C1)C=NN2C(=O)NNC2=O","QAAGQSWYWAIPRV-UXBLZVDNSA-N","9571626",NA,"PDBC23204","691119","Present"
-"4-(Benzyloxy)-2-((5,6,7-trimethoxy-1-isoquinolinyl)methyl)aniline","","","","","","","","","","","","","","","","","","","","4-(Benzyloxy)-2-((5,6,7-trimethoxy-1-isoquinolinyl)methyl)aniline","","COC1=C(C(=C2C=CN=C(C2=C1)CC3=C(C=CC(=C3)OCC4=CC=CC=C4)N)OC)OC","FGNZZSQEGAKWMZ-UHFFFAOYSA-N","363298",NA,"PDBC23205","628118","Present"
-"4-(Benzyloxy)-2-hydroxybutanenitrile","","","","","","","","","","","","","","","","","","","","4-(Benzyloxy)-2-hydroxybutanenitrile","","C1=CC=C(C=C1)COCCC(C#N)O","KMIYMJQNHUMXPH-UHFFFAOYSA-N","390881",NA,"PDBC23206","688992","Present"
-"4-(Benzyloxy)-3-chlorobenzoic acid","","","","","","","","","","","","","","","","","","","","STL573083","","C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)Cl","MQUAYIQAPMFLCC-UHFFFAOYSA-N","308481",NA,"PDBC23207","210282","Present"
-"4-(Benzyloxy)-N-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","STL432251","","C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NO","DKQPCTOULAMBDP-UHFFFAOYSA-N","392396",NA,"PDBC23208","692760","Present"
-"4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline","","","","","","","","","","","","","","","","","","","","4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline","","C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CCCl)CCCl","AICZHGUHMDUPES-UHFFFAOYSA-N","254980",NA,"PDBC23209","80111","Present"
-"4-(Benzyloxy)phenyl 2-methylbenzoate","","","","","","","","","","","","","","","","","","","","STK699265","","CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3","VAUDJIBDOMUTDP-UHFFFAOYSA-N","358340",NA,"PDBC23210","618305","Present"
-"4-(Benzyloxymethyl)-2,6-dimethoxy-tetrahydropyran","","","","","","","","","","","","","","","","","","","","4-(Benzyloxymethyl)-2,6-dimethoxy-tetrahydropyran","","COC1CC(CC(O1)OC)COCC2=CC=CC=C2","PXFKOSQMSTUDRQ-UHFFFAOYSA-N","395355",NA,"PDBC23211","699837","Present"
-"4-(Benzylthio)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","","","","","","","","","","","","","","","","","","","","NSC655924///NSC655928","","CC1(C2C1CC(C(C2)SCC3=CC=CC=C3)(C)O)C","NEDQAGMACUPKPI-UHFFFAOYSA-N","375774",NA,"PDBC23212","655924///655928","Present"
-"4-(Bis(benzylthio)methyl)-2-methoxyphenol","","","","","","","","","","","","","","","","","","","","4-(Bis(benzylthio)methyl)-2-methoxyphenol","","COC1=C(C=CC(=C1)C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)O","PTUYZBMHYZLAGC-UHFFFAOYSA-N","377592",NA,"PDBC23213","659159","Present"
-"4-(Bis(diphenylphosphoryl)methyl)-2,6-di-tert-butylphenol","","","","","","","","","","","","","","","","","","","","4-(Bis(diphenylphosphoryl)methyl)-2,6-di-tert-butylphenol","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5","VOOWUQXUNZHNLJ-UHFFFAOYSA-N","378742",NA,"PDBC23214","661841","Present"
-"4-(Bis(ethylthio)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-(Bis(ethylthio)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","CCSC(=C1C(=NN(C1=O)C2=CC=CC=C2)C)SCC","GVCWTWODXXCPHT-UHFFFAOYSA-N","370532",NA,"PDBC23215","643759","Present"
-"4-(Bis(methylthio)methylene)-3,4-dihydro-1H-1-benzazepine-2,5-dione","","","","","","","","","","","","","","","","","","","","4-(Bis(methylthio)methylene)-3,4-dihydro-1H-1-benzazepine-2,5-dione","","CSC(=C1CC(=O)NC2=CC=CC=C2C1=O)SC","VVEZVVLYCIMJAC-UHFFFAOYSA-N","387017",NA,"PDBC23216","680338","Present"
-"4-(Bis(octylthio)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-(Bis(octylthio)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one","","CCCCCCCCSC(=C1C(=NN(C1=O)C2=CC=CC=C2)C)SCCCCCCCC","QMEMKRAMGPZZCT-UHFFFAOYSA-N","370533",NA,"PDBC23217","643760","Present"
-"4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid","","","","","","","","","","","","","","","","","","","","benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-","","CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C(=O)O","DGLJGZXRIMUUSW-UHFFFAOYSA-N","246504",NA,"PDBC23218","59640","Present"
-"4-(Bromomethyl)-2,2,5,5-tetramethyl-1-imidazolidinol 3-oxide","","","","","","","","","","","","","","","","","","","","4-(Bromomethyl)-2,2,5,5-tetramethyl-1-imidazolidinol 3-oxide","","CC1(C(=[N+](C(N1O)(C)C)[O-])CBr)C","DXZAIXOZCUYCQT-UHFFFAOYSA-N","378673",NA,"PDBC23219","661470","Present"
-"4-(Bromomethyl)-7-hydroxy-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","GEO-02733","","C1=CC2=C(C=C1O)OC(=O)C=C2CBr","XFNVWGFZARBVBT-UHFFFAOYSA-N","5465897",NA,"PDBC23220","667229","Present"
-"4-(Bromomethyl)pent-4-enoxymethylbenzene","","","","","","","","","","","","","","","","","","","","4-(Bromomethyl)pent-4-enoxymethylbenzene","","C=C(CCCOCC1=CC=CC=C1)CBr","LAOXPBWUTRNKTE-UHFFFAOYSA-N","390880",NA,"PDBC23221","688991","Present"
-"4-(Butylamino)-2,6-dihydrofuro[3,4-c]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-(Butylamino)-2,6-dihydrofuro[3,4-c]pyrazol-3-one","","CCCCN=C1C2=C(CO1)NNC2=O","ZPKXGIKSHMQCCD-UHFFFAOYSA-N","369441",NA,"PDBC23222","641211","Present"
-"4-(Butylthio)-3,4-dihydro-2H-benzo[h]thiochromene","","","","","","","","","","","","","","","","","","","","4-butylthio-3,4-dihydro-2H-naphtho[1,2-b]thiopyran","","CCCCSC1CCSC2=C1C=CC3=CC=CC=C32","YKURUWBKTOPJDP-UHFFFAOYSA-N","362057",NA,"PDBC23223","625574","Present"
-"4-(C,N-Diphenylcarbonimidoyl)-2-phenyl-1H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-(C,N-Diphenylcarbonimidoyl)-2-phenyl-1H-pyrazol-3-one","","C1=CC=C(C=C1)C(=NC2=CC=CC=C2)C3=CNN(C3=O)C4=CC=CC=C4","DFRCUBWXXIUGOS-UHFFFAOYSA-N","358967",NA,"PDBC23224","619160","Present"
-"4-(Chloroamino)but-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","4-(Chloroamino)but-2-yn-1-ol","","C(C#CCO)NCl","VIPYIGYVTCHTPP-UHFFFAOYSA-N","359216",NA,"PDBC23225","619925","Present"
-"4-(Chloromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-(Chloromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CCl","ZGDQREXUQGFNOL-UHFFFAOYSA-N","389989",NA,"PDBC23226","686783","Present"
-"4-(Chloromethyl)benzaldehyde","","","","","","","","","","","","","","","","","","","","AK113959","","C1=CC(=CC=C1CCl)C=O","FNIFQOISPAAFQF-UHFFFAOYSA-N","357877",NA,"PDBC23227","617411","Present"
-"4-(Cyclohexylamino)-1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one","","","","","","","","","","","","","","","","","","","","4-(Cyclohexylamino)-1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one","","C1CCC(CC1)N=C2C3(CCN(CC3)CCC4=CC=CC=C4)N(C(=O)N2)C5=CC=CC=C5","MWZFGYZICCREFL-UHFFFAOYSA-N","135409196",NA,"PDBC23228","665294","Present"
-"4-(Cyclohexylamino)-8-(3-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one","","","","","","","","","","","","","","","","","","","","4-Cyclohexylimino-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one","","C1CCC(CC1)N=C2C3(CCN(CC3)CCCC4(OCCO4)C5=CC=C(C=C5)F)N(C(=O)N2)C6=CC=CC=C6","FWXGGHKHBXFTDI-UHFFFAOYSA-N","135409199",NA,"PDBC23229","665308","Present"
-"4-(Cyclohexylamino)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one","","","","","","","","","","","","","","","","","","","","4-(Cyclohexylamino)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one","","C1CCC(CC1)N=C2C3(CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)N(C(=O)N2)C5=CC=CC=C5","WNJFOIASXLHNBB-UHFFFAOYSA-N","135409200",NA,"PDBC23230","665310","Present"
-"4-(Dibenzo-p-dioxin-2-ylamino)-3,6-dinitrochromen-2-one","","","","","","","","","","","","","","","","","","","","3,6-Dinitro-4-(oxanthren-2-ylamino)-2h-chromen-2-one","","C1=CC=C2C(=C1)OC3=C(O2)C=C(C=C3)NC4=C(C(=O)OC5=C4C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","QYDCASLXNHRHKR-UHFFFAOYSA-N","403315",NA,"PDBC23231","718021","Present"
-"4-(Dibenzo-p-dioxin-2-ylamino)-3-nitrochromen-2-one","","","","","","","","","","","","","","","","","","","","3-Nitro-4-(oxanthren-2-ylamino)-2h-chromen-2-one","","C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC4=C(C=C3)OC5=CC=CC=C5O4","QFHPFBRUYZQBDU-UHFFFAOYSA-N","403314",NA,"PDBC23232","718020","Present"
-"4-(Dibutylamino)-3-nitro-2H-pyrido[1,2-a]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-(Dibutylamino)-3-nitro-2H-pyrido[1,2-a]pyrimidin-2-one","","CCCCN(CCCC)C1=C(C(=O)N=C2N1C=CC=C2)[N+](=O)[O-]","ZTZVCEXSDXCNBU-UHFFFAOYSA-N","367822",NA,"PDBC23233","637897","Present"
-"4-(Dichloromethylene)-3,5-dimethyl-1-phenyl-1$l^{5}-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-(Dichloromethylidene)-3,5-dimethyl-1-phenyl-1,4-dihydrophosphinine 1-oxide","","CC1=CP(=O)(C=C(C1=C(Cl)Cl)C)C2=CC=CC=C2","MMAPZERYAGALJF-UHFFFAOYSA-N","361316",NA,"PDBC23234","624332","Present"
-"4-(Dichloromethylidene)-1-ethoxy-3,5-dimethyl-1lambda5-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-(Dichloromethylidene)-1-ethoxy-3,5-dimethyl-1,4-dihydrophosphinine 1-oxide","","CCOP1(=O)C=C(C(=C(Cl)Cl)C(=C1)C)C","TWYXOGWUTKPECJ-UHFFFAOYSA-N","370739",NA,"PDBC23235","644259","Present"
-"4-(Dichloromethylidene)-3,5-dimethyl-1-propan-2-yloxy-1lambda5-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-(Dichloromethylidene)-3,5-dimethyl-1-(propan-2-yloxy)-1,4-dihydrophosphinine 1-oxide","","CC1=CP(=O)(C=C(C1=C(Cl)Cl)C)OC(C)C","QKVYUTXWNAUOFB-UHFFFAOYSA-N","372645",NA,"PDBC23236","648099","Present"
-"4-(Diethylamino)-1,1-diethyl-5-oxo-1,2,4-triazol-1-ium-3-olate","","","","","","","","","","","","","","","","","","","","4-(Diethylamino)-1,1-diethyl-5-oxo-1,2,4-triazol-1-ium-3-olate","","CCN(CC)N1C(=N[N+](C1=O)(CC)CC)[O-]","JNJQEYLIRKTISR-UHFFFAOYSA-N","6711185",NA,"PDBC23237","160268","Present"
-"4-(Diethylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one oxime","","","","","","","","","","","","","","","","","","","","4-(Diethylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one oxime","","CCN(CC)C1=CC=CC2=C1C(=NO)CCCC2","XWNMJJVSBZRJHZ-DTQAZKPQSA-N","9555916",NA,"PDBC23238","655290","Present"
-"4-(Diethylaminodiazenyl)-5-methyl-1H-pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-(Diethylaminodiazenyl)-5-methyl-1H-pyrazole-3-carboxamide","","CCN(CC)N=NC1=C(NN=C1C(=O)N)C","IQIPLPPRGBWFQI-UHFFFAOYSA-N","282820",NA,"PDBC23239","136880","Present"
-"4-(Dihexylamino)naphthalene-1,2-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","4-(Dihexylamino)naphthalene-1,2-dione;hydrochloride","","CCCCCCN(CCCCCC)C1=CC(=O)C(=O)C2=CC=CC=C21.Cl","HDNOOBOCZGNHBD-UHFFFAOYSA-N","369227",NA,"PDBC23240","640956","Present"
-"4-(Dimethoxymethyl)-7a-hydroxy-7,7a,11b,12-tetrahydrobenzo[a]benzo[3,4]cyclobuta[1,2-d]cycloocten-5(6H)-one","","","","","","","","","","","","","","","","","","","","7-(Dimethoxymethyl)-12-hydroxytetracyclo[10.6.0.03,8.013,18]octadeca-3(8),4,6,13,15,17-hexaen-9-one","","COC(C1=CC=CC2=C1C(=O)CCC3(C(C2)C4=CC=CC=C43)O)OC","KHRAFMZOCYHABN-UHFFFAOYSA-N","375541",NA,"PDBC23241","655320","Present"
-"4-(Dimethylamino)-1,3-diphenylbutan-2-one","","","","","","","","","","","","","","","","","","","","4-(Dimethylamino)-1,3-diphenylbutan-2-one","","CN(C)CC(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2","NIISBOCIVFUFDB-UHFFFAOYSA-N","236584",NA,"PDBC23242","39199","Present"
-"4-(Dimethylamino)-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one","","","","","","","","","","","","","","","","","","","","5H-Primido[4,5-c][2]benzazepin-10(11H)-one, 11-methyl- 4...","","CN1C2=C(CC3=CC=CC=C3C1=O)C(=NC=N2)N(C)C","SLVGJWQWWNVJGM-UHFFFAOYSA-N","325817",NA,"PDBC23243","295302","Present"
-"4-(Dimethylamino)-2-(1H-indol-3-yl)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-(Dimethylamino)-2-(1H-indol-3-yl)-4-oxobutanoic acid","","CN(C)C(=O)CC(C1=CNC2=CC=CC=C21)C(=O)O","GZCIQJUCDZFTOT-UHFFFAOYSA-N","372083",NA,"PDBC23244","646962","Present"
-"4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide methanesulfonate","","","","","","","","","","","","","","","","","","","","4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;methanesulfonic acid","","CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CS(=O)(=O)O","MIBRDPLTDIJTJZ-UHFFFAOYSA-N","54685733",NA,"PDBC23245","69343","Present"
-"4-(Dimethylamino)-3-methyl-2,2-diphenylbutanenitrile","","","","","","","","","","","","","","","","","","","","Isodidiavalo","","CC(CN(C)C)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2","WDEAKMXEZRUYOK-UHFFFAOYSA-N","44861",NA,"PDBC23246","9993","Present"
-"4-(Dimethylamino)-7-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione","","","","","","","","","","","","","","","","","","","","1H-1,4-Benzodiazepine-2,5-dione, 2,3,4,5-tetrahydro- 4-(...","","CC1=CC2=C(C=C1)NC(=O)CN(C2=O)N(C)C","GFHXEWXBDZZGAU-UHFFFAOYSA-N","363433",NA,"PDBC23247","628344","Present"
-"4-(Dimethylamino)-N-phenylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","4-(Dimethylamino)-N-phenylbenzenesulfinamide","","CN(C)C1=CC=C(C=C1)S(=O)NC2=CC=CC=C2","VHPMMNVYEYRLAG-UHFFFAOYSA-N","385390",NA,"PDBC23248","676564","Present"
-"4-(Dimethylamino)-alpha-(nonafluorobutylsulfonyl)-cis-cinnamic acid ethyl ester","","","","","","","","","","","","","","","","","","","","4-(Dimethylamino)-alpha-(nonafluorobutylsulfonyl)-cis-cinnamic acid ethyl ester","","CCOC(=O)C(=CC1=CC=C(C=C1)N(C)C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","YJYBQFZUOVGCIU-FMIVXFBMSA-N","5468675",NA,"PDBC23249","674123","Present"
-"4-(Dimethylamino)benzaldehyde (4-(2-furylmethylene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl)hydrazone","","","","","","","","","","","","","","","","","","","","4-(Dimethylamino)benzaldehyde (4-(2-furylmethylene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl)hydrazone","","CN(C)C1=CC=C(C=C1)C=NNC2=NC(=CC3=CC=CO3)C(=O)N2","WTVIUSGONOKESV-ODXRKRKHSA-N","135494020",NA,"PDBC23250","691988","Present"
-"4-(Dimethylamino)benzaldehyde (7-chloro-3-methyl-5-phenyl-3H-1,3,4-benzotriazepin-2-yl)hydrazone","","","","","","","","","","","","","","","","","","","","4-(Dimethylamino)benzaldehyde (7-chloro-3-methyl-5-phenyl-3H-1,3,4-benzotriazepin-2-yl)hydrazone","","CN1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NN=CC4=CC=C(C=C4)N(C)C","KNGNRWVXLRCHPV-WGOQTCKBSA-N","9555946",NA,"PDBC23251","660688","Present"
-"4-(Dimethylamino)benzaldehyde N-phenylthiosemicarbazone","","","","","","","","","","","","","","","","","","","","STK730505","","CN(C)C1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC=C2","HBLLYJOWYYMLSE-SFQUDFHCSA-N","6862754",NA,"PDBC23252","213888","Present"
-"4-(Dimethylamino)benzaldehyde[4-(1,3-benzimidazol-2-yl)pheny l]hydrazone","","","","","","","","","","","","","","","","","","","","4-(Dimethylamino)benzaldehyde[4-(1,3-benzimidazol-2-yl)p...","","CN(C)C1=CC=C(C=C1)C=NNC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","YKPKFFYRXFABPY-HZHRSRAPSA-N","24204003",NA,"PDBC23253","730323","Present"
-"4-(Dimethylamino)methylene-2,1,3-benzothiadiazole and methyl iodide","","","","","","","","","","","","","","","","","","","","LS-69548","","CN(C)C=NC1=CC=CC2=NSN=C21.CI","KTBPRCFPZXZROS-UHFFFAOYSA-N","58267",NA,"PDBC23254","665674","Present"
-"4-(Dimethylamino)phenolate;2,2,6,6-tetramethylheptane-3,5-dione;titanium(4+)","","","","","","","","","","","","","","","","","","","","Bis(2,2,6,6-tetramethylheptane-3,5-dionato)bis(N,N-dimet...","","CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].[Ti+4]","UHDZJBHZSRWNAG-UHFFFAOYSA-L","368280",NA,"PDBC23255","638749","Present"
-"4-(Dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-(Dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide","","CCC1=C(C(=NN1)C(=O)N)N=NN(C)C","ITDFAZXRTGZMBY-UHFFFAOYSA-N","279949",NA,"PDBC23256","131263","Present"
-"4-(Dimethylaminodiazenyl)-5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-(Dimethylaminodiazenyl)-5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide","","CC1=C(C(=NN1)C(=O)NN=CC2=CC=CS2)N=NN(C)C","CAFKHSJTNLEMNV-IPATYEEQSA-N","135545660",NA,"PDBC23257","131258","Present"
-"4-(Dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-(Dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide","","CC(C)C1=C(C(=NN1)C(=O)N)N=NN(C)C","CZBJUVCJXXZKSJ-UHFFFAOYSA-N","279947",NA,"PDBC23258","131261","Present"
-"4-(Dimethylaminodiazenyl)-5-propyl-1H-pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-(Dimethylaminodiazenyl)-5-propyl-1H-pyrazole-3-carboxamide","","CCCC1=C(C(=NN1)C(=O)N)N=NN(C)C","IIZWDQFXSNNCGH-UHFFFAOYSA-N","279948",NA,"PDBC23259","131262","Present"
-"4-(Diphenylhydroxymethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","C20H16O3","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C(=O)O)O","CPZWBWPALJLUBJ-UHFFFAOYSA-N","348961",NA,"PDBC23260","408493","Present"
-"4-(Diphenylmethyl)pyridine","","","","","","","","","","","","","","","","","","","","4-(Diphenylmethyl)pyridine","","C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=NC=C3","ZWLWOTHDIGRTNE-UHFFFAOYSA-N","77252",NA,"PDBC23261","60655","Present"
-"4-(Diphenylphosphorothioyl)-1,3-dimethyl-1H-pyrazole","","","","","","","","","","","","","","","","","","","","(1,3-Dimethylpyrazol-4-yl)-diphenyl-thioxo-$l^{5}-phosphane","","CC1=NN(C=C1P(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C","XJAXPCJDSGURHX-UHFFFAOYSA-N","365105",NA,"PDBC23262","632132","Present"
-"4-(Diphenylphosphoryl)-2-methoxy-1,2-diphenylbutan-1-one","","","","","","","","","","","","","","","","","","","","Butyrophenone,4-(diphenylphosphinyl)-2-methoxy-2-phenyl- (8CI)","","COC(CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C4=CC=CC=C4","OIVDQKVHFRFEEQ-UHFFFAOYSA-N","282323",NA,"PDBC23263","135734","Present"
-"4-(Diphenylphosphoryl)-N-methyl-3-oxo-N-phenylbutanamide","","","","","","","","","","","","","","","","","","","","4-(Diphenylphosphoryl)-N-methyl-3-oxo-N-phenylbutanamide","","CN(C1=CC=CC=C1)C(=O)CC(=O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","GVJBFWGAUYIVNY-UHFFFAOYSA-N","378388",NA,"PDBC23264","660687","Present"
-"4-(Diphenylphosphorylmethyl)morpholine","","","","","","","","","","","","","","","","","","","","Morpholinomethyldiphenylphosphine oxide","","C1COCCN1CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","ZDEKTDYYYBITIR-UHFFFAOYSA-N","359291",NA,"PDBC23265","620035","Present"
-"4-(Dipropylamino)-2-methoxybenzaldehyde","","","","","","","","","","","","","","","","","","","","NSC757909","","CCCN(CCC)C1=CC(=C(C=C1)C=O)OC","ITQDSDLDRSCAHZ-UHFFFAOYSA-N","14848760",NA,"PDBC23266","757909","Present"
-"4-(Dipropylamino)-2-methylbenzaldehyde","","","","","","","","","","","","","","","","","","","","NSC757908","","CCCN(CCC)C1=CC(=C(C=C1)C=O)C","YOPYGFRWKDWUMI-UHFFFAOYSA-N","14848763",NA,"PDBC23267","757908","Present"
-"4-(Dipropylamino)-3,5-dinitrobenzamide","","","","","","","","","","","","","","","","","","","","4-(Dipropylamino)-3,5-dinitrobenzamide","","CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N)[N+](=O)[O-]","XFDXNBOTTKUHKE-UHFFFAOYSA-N","300481",NA,"PDBC23268","175074","Present"
-"4-(Dipropylamino)-N,N-bis(2-hydroxyethyl)-3,5-dinitrobenzamide","","","","","","","","","","","","","","","","","","","","4-(Dipropylamino)-N,N-bis(2-hydroxyethyl)-3,5-dinitrobenzamide","","CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N(CCO)CCO)[N+](=O)[O-]","ZECYMEXHHZVGMJ-UHFFFAOYSA-N","375968",NA,"PDBC23269","656325","Present"
-"4-(Dipropylamino)-N,N-diethyl-3,5-dinitrobenzamide","","","","","","","","","","","","","","","","","","","","4-(Dipropylamino)-N,N-diethyl-3,5-dinitrobenzamide","","CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N(CC)CC)[N+](=O)[O-]","FKPLXECOYMPKKJ-UHFFFAOYSA-N","375160",NA,"PDBC23270","654295","Present"
-"4-(Dipropylamino)-N,N-dimethyl-3,5-dinitrobenzamide","","","","","","","","","","","","","","","","","","","","4-(Dipropylamino)-N,N-dimethyl-3,5-dinitrobenzamide","","CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N(C)C)[N+](=O)[O-]","ZCCOQPMTSNHWQW-UHFFFAOYSA-N","375967",NA,"PDBC23271","656324","Present"
-"4-(Fluoromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-(Fluoromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CF","ZZOXOFGFTBZRLN-UHFFFAOYSA-N","393945",NA,"PDBC23272","696917","Present"
-"4-(Furan-2-yl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-(Furan-2-yl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine","","CC1=CC=C(O1)C2=NC(=NC(=C2)C3=CC=CO3)N","LIARQZAKYQMYJV-UHFFFAOYSA-N","376141",NA,"PDBC23273","656634","Present"
-"4-(Furo[3,2-c]quinolin-4-ylamino)-N-(2-piperazin-1-ylethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Furo[3,2-c]quinolin-4-ylamino)-N-(2-piperazin-1-ylethyl)benzamide","","C1CN(CCN1)CCNC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C5=C3C=CO5","ZDTDUATXVXDAAE-UHFFFAOYSA-N","24204688",NA,"PDBC23274","732492","Present"
-"4-(Furo[3,2-c]quinolin-4-ylamino)-N-[(2R)-octan-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-(Furo[3,2-c]quinolin-4-ylamino)-N-[(2R)-octan-2-yl]benzamide","","CCCCCCC(C)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","QXFQLSQLKJRLMT-GOSISDBHSA-N","24204690",NA,"PDBC23275","732494","Present"
-"4-(Furo[3,2-c]quinolin-4-ylamino)-N-[(2S)-octan-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-(Furo[3,2-c]quinolin-4-ylamino)-N-[(2S)-octan-2-yl]benzamide","","CCCCCCC(C)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","QXFQLSQLKJRLMT-SFHVURJKSA-N","24204689",NA,"PDBC23276","732493","Present"
-"4-(Furo[3,2-c]quinolin-4-ylamino)-N-[2-(2-hydroxyethylamino)ethyl]benzamide","","","","","","","","","","","","","","","","","","","","4-(Furo[3,2-c]quinolin-4-ylamino)-N-[2-(2-hydroxyethylamino)ethyl]benzamide","","C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)C(=O)NCCNCCO","OGYQXUQGTBEJTK-UHFFFAOYSA-N","24204687",NA,"PDBC23277","732491","Present"
-"4-(Furo[3,2-c]quinolin-4-ylamino)phenol","","","","","","","","","","","","","","","","","","","","4-(Furo[3,2-c]quinolin-4-ylamino)phenol","","C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)O","DSCCYNXDIPOVSJ-UHFFFAOYSA-N","24203916",NA,"PDBC23278","730146","Present"
-"4-(Hexadecylamino)-1-[4-hydroxy-5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-2-yl]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-(Hexadecylamino)-1-[4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidin-2-one","","CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)O","BZTJHVJBIGIAIC-UHFFFAOYSA-N","385572",NA,"PDBC23279","676862","Present"
-"4-(Hexanoylamino)-1H-1,2,3-triazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-(Hexanoylamino)-1H-1,2,3-triazole-5-carboxamide","","CCCCCC(=O)NC1=NNN=C1C(=O)N","SLQCBDHMHFUPBP-UHFFFAOYSA-N","385089",NA,"PDBC23280","676016","Present"
-"4-(Hexanoylamino)-1H-imidazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-(Hexanoylamino)-1H-imidazole-5-carboxamide","","CCCCCC(=O)NC1=C(NC=N1)C(=O)N","KLMGEAKXVLBKAY-UHFFFAOYSA-N","385088",NA,"PDBC23281","676015","Present"
-"4-(Hexyloxy)-N-hydroxy-N-methylbenzamide","","","","","","","","","","","","","","","","","","","","4-(Hexyloxy)-N-hydroxy-N-methylbenzamide","","CCCCCCOC1=CC=C(C=C1)C(=O)N(C)O","YZLFSTNYDDARRX-UHFFFAOYSA-N","392394",NA,"PDBC23282","692758","Present"
-"4-(Hexyloxy)-N-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","4-Hexoxybenzenecarbohydroxamic acid","","CCCCCCOC1=CC=C(C=C1)C(=O)NO","JECHWTQWVCPLAW-UHFFFAOYSA-N","392390",NA,"PDBC23283","692754","Present"
-"4-(Hydroxy(oxido)amino)-1-((3-((3-((9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino)propyl)(methyl)amino)propyl)amino)-9(10H)-acridinone methanesulfonate","","","","","","","","","","","","","","","","","","","","9-Acridinone, 1-[[[[(9-methoxy-5,11-dimethyl- 6H-pyrido[...","","CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C(=C(C=C5)[N+](=O)[O-])NC7=CC=CC=C7C6=O.CS(=O)(=O)O","BXYVAHSOEYQNDI-UHFFFAOYSA-N","438994",NA,"PDBC23284","695937","Present"
-"4-(Hydroxy(oxido)amino)-2-(((octahydro-2H-quinolizin-1-ylmethyl)imino)methyl)phenol","","","","","","","","","","","","","","","","","","","","2-[(1E)-3-(6-azabicyclo[4.4.0]dec-2-yl)-2-azaprop-1-enyl]-4-nitrophenol","","C1CCN2CCCC(C2C1)CN=CC3=C(C=CC(=C3)[N+](=O)[O-])O","LEVXMDULTLHBDO-UHFFFAOYSA-N","394204",NA,"PDBC23285","697486","Present"
-"4-(Hydroxy(oxido)amino)-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","4-Nitro-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-1,3(2H)-dione","","C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=NC=NN3","BHQONEZYXUINHI-UHFFFAOYSA-N","266770",NA,"PDBC23286","105550","Present"
-"4-(Hydroxy(oxido)amino)-3-phosphonobenzoic acid","","","","","","","","","","","","","","","","","","","","4-Nitro-3-phosphonobenzoic acid","","C1=CC(=C(C=C1C(=O)O)P(=O)(O)O)[N+](=O)[O-]","PWPIHQZKGQOGKL-UHFFFAOYSA-N","279183",NA,"PDBC23287","129478","Present"
-"4-(Hydroxy(oxido)amino)-N-(4-methyl-9H-xanthen-9-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Hydroxy(oxido)amino)-N-(4-methyl-9H-xanthen-9-yl)benzamide","","CC1=C2C(=CC=C1)C(C3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","OXBFBNIBDQNWOK-UHFFFAOYSA-N","233015",NA,"PDBC23288","31076","Present"
-"4-(Hydroxy(oxido)amino)benzylarsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-9040","","C1=CC(=CC=C1C[As](=O)(O)O)[N+](=O)[O-]","SPVFQMYEUKTCJQ-UHFFFAOYSA-N","222574",NA,"PDBC23289","9040","Present"
-"4-(Hydroxy(oxido)amino)phenyl 2-(((((heptadecanoylamino)acetyl)amino)acetyl)amino)-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","(4-Nitrophenyl) 2-[[2-[[2-(heptadecanoylamino)acetyl]amino]acetyl]amino]-3-phenyl-propanoate","","CCCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]","CMUFLNAPVHQCIY-UHFFFAOYSA-N","387368",NA,"PDBC23290","681120","Present"
-"4-(Hydroxyamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","","","","","","","","","","","","","","","","","","","4-(Hydroxyamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","C1C2C(=NC3=CC=CC=C3C(=S)N2CS1)NO","OSHJAKMQOHLUMD-UHFFFAOYSA-N","3005211",NA,"PDBC23291","683486","Present"
-"4-(Hydroxyamino)-5-nitro-2-phenyl-pyridazin-3-one","","","","","","","","","","","","","","","","","","","","4-(Hydroxyamino)-5-nitro-2-phenyl-pyridazin-3-one","","C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)[N+](=O)[O-])NO","IJAOQXZBRMUTBZ-UHFFFAOYSA-N","3699706",NA,"PDBC23292","641822","Present"
-"4-(Hydroxymethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","","","","","","","","","","","","","","","","","4-(Hydroxymethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","",NA,"PDBC23293","658199","Present"
-"4-(Hydroxymethyl)-2-phenyl-4H-pyrazolo[1,5-a]indol-3-ol","","","","","","","","","","","","","","","","","","","","4-(Hydroxymethyl)-2-phenyl-4H-pyrazolo[1,5-a]indol-3-ol","","C1=CC=C(C=C1)C2=NN3C4=CC=CC=C4C(C3=C2O)CO","PFYARDXHCNTGGK-UHFFFAOYSA-N","385317",NA,"PDBC23294","676434","Present"
-"4-(Hydroxymethyl)-N,N-dimethylimidazole-1-sulfonamide","","","","","","","","","","","","","","","","","","","","F2147-8435","","CN(C)S(=O)(=O)N1C=C(N=C1)CO","XEMCPJAIPJBKJL-UHFFFAOYSA-N","395750",NA,"PDBC23295","700550","Present"
-"4-(Iodomethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","Benzoic acid,  4-iodomethyl-","","C1=CC(=CC=C1CI)C(=O)O","CSGPUODXEMKHSY-UHFFFAOYSA-N","355504",NA,"PDBC23296","609248","Present"
-"4-(Isopropylthio)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol","","","","","","","","","","","","","","","","","","","","NSC655923///NSC655926","","CC(C)SC1CC2C(C2(C)C)CC1(C)O","XSMMJHSZJXWLBE-UHFFFAOYSA-N","375773",NA,"PDBC23297","655923///655926","Present"
-"4-(Mercaptomethyl)-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-(Mercaptomethyl)-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide","","CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)CS","NNMNQKRWKRXNJE-UHFFFAOYSA-N","376425",NA,"PDBC23298","657339","Present"
-"4-(Methoxymethyl)-11a-phenyl-1,2,4,4a,11a,11b-hexahydro-1,4-methanoindolo[1,2-b][1,2]benzisoxazole-3,11-dione","","","","","","","","","","","","","","","","","","","","14-(Methoxymethyl)-3-phenyl-12-oxa-11-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadeca-5,7,9-triene-4,15-dione","","COCC12CC(CC1=O)C3C2ON4C3(C(=O)C5=CC=CC=C54)C6=CC=CC=C6","FLDNSLQVGNOXOV-UHFFFAOYSA-N","374523",NA,"PDBC23299","652274","Present"
-"4-(Methoxymethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-(Methoxymethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)COC","GECKYEFFMJHGDF-UHFFFAOYSA-N","389991",NA,"PDBC23300","686785","Present"
-"4-(Methylamino)-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-(Methylamino)-3-phenyl-1H-1,2,4-triazol-5-one","","CNN1C(=NNC1=O)C2=CC=CC=C2","YEECBPAPRCZEOD-UHFFFAOYSA-N","384497",NA,"PDBC23301","674330","Present"
-"4-(Methylamino)-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","4-(Methylamino)-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","CC1=CC=C(C=C1)C2=NNC(=O)N2NC","WQXDSEFMALQLHW-UHFFFAOYSA-N","387573",NA,"PDBC23302","681530","Present"
-"4-(Methylamino)-N-phenylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","4-(Methylamino)-N-phenylbenzenesulfinamide","","CNC1=CC=C(C=C1)S(=O)NC2=CC=CC=C2","BXURZDSVRMWIKM-UHFFFAOYSA-N","385382",NA,"PDBC23303","676556","Present"
-"4-(Methylsulfonyl)-N-(3-((4-(methylsulfonyl)phenyl)imino)-1-propenyl)aniline","","","","","","","","","","","","","","","","","","","","4-(Methylsulfonyl)-N-(3-((4-(methylsulfonyl)phenyl)imino)-1-propenyl)aniline","","CS(=O)(=O)C1=CC=C(C=C1)NC=CC=NC2=CC=C(C=C2)S(=O)(=O)C","TUAXLDYICBQGIB-OCYUQXDLSA-N","5917468",NA,"PDBC23304","676472","Present"
-"4-(Methylsulfonylmethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-(Methylsulfonylmethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CS(=O)(=O)C","PCJNEEVUSUDFRF-UHFFFAOYSA-N","393947",NA,"PDBC23305","696919","Present"
-"4-(Methylthio)-N-picrylaniline","","","","","","","","","","","","","","","","","","","","4-(Methylthio)-N-picrylaniline","","CSC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","MYKVWKVGMUFQHI-UHFFFAOYSA-N","291923",NA,"PDBC23306","157490","Present"
-"4-(Methylthio)canthin-6-one","","","","","","","","","","","","","","","","","","","","canthin-6-one,4-(methylthio)","","CSC1=CC(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4","HCKATCNEEDQXNJ-UHFFFAOYSA-N","259217",NA,"PDBC23307","88928","Present"
-"4-(Morpholin-4-ylmethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-(Morpholinomethyl)-6-(3,5,5-trimethyl-4h-pyrazol-1-yl)-1,3,5-triazin-2-amine","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CN3CCOCC3","GORYADOMYHZDOF-UHFFFAOYSA-N","389994",NA,"PDBC23308","686788","Present"
-"4-(N'-Carbamimidoylcarbamimidamido)benzoic acid","","","","","","","","","","","","","","","","","","","","4-(N'-Carbamimidoylcarbamimidamido)benzoic acid","","C1=CC(=CC=C1C(=O)O)N=C(N)N=C(N)N","SQVQYPFROZNYOG-UHFFFAOYSA-N","52239",NA,"PDBC23309","125205","Present"
-"4-(N)-docosahexaenoyl gemcitabine","","","","","","","","","","","","","","","","","","","","4-(N)-docosahexaenoyl gemcitabine","","CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)F","BQVLSFZCPYXHQU-BVANHDROSA-N","155807142",NA,"PDBC23310","782349","Present"
-"4-(N-Ethylanilino)-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","2H-Pyrido[1,2-a]pyrimidin-2-one,  4-ethylphenylamino-1,6...","","CCN(C1=CC=CC=C1)C2=CC(=O)NC3N2CCCC3","IEDYWAKEALOHOO-UHFFFAOYSA-N","363961",NA,"PDBC23311","629498","Present"
-"4-(N-Methylanilino)-3-phenyl-furo[2,3-h]chromen-2-one","","","","","","","","","","","","","","","","","","","","4-[Methyl(phenyl)amino]-3-phenyl-2H-furo[2,3-h]chromen-2-one","","CN(C1=CC=CC=C1)C2=C(C(=O)OC3=C2C=CC4=C3C=CO4)C5=CC=CC=C5","LQLVTFUDSZJKLC-UHFFFAOYSA-N","362855",NA,"PDBC23312","627259","Present"
-"4-(N-Tert-butoxycarbonyl-7-bromoindol-3-yl)but-3-en-2-one","","","","","","","","","","","","","","","","","","","","4-(N-tert-butoxycarbonyl-7-bromoindol-3-yl)but-3-en-2-one","","CC(=O)C=CC1=CN(C2=C1C=C(C=C2)Br)C(=O)OC(C)(C)C","OLUZANRCRCTYPZ-AATRIKPKSA-N","45027931",NA,"PDBC23313","740193","Present"
-"4-(N-[2-[[6-[Bis(4-sulfophenyl)sulfamoyl]-4-oxoquinazolin-3-yl]amino]-2-oxoethyl]-4-sulfoanilino)benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-(N-[2-[[6-[Bis(4-sulfophenyl)sulfamoyl]-4-oxoquinazolin-3-yl]amino]-2-oxoethyl]-4-sulfoanilino)benzenesulfonic acid","","C1=CC(=CC=C1N(CC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)S(=O)(=O)O)C6=CC=C(C=C6)S(=O)(=O)O)S(=O)(=O)O","CIGMZCBYUAZSDM-UHFFFAOYSA-N","390417",NA,"PDBC23314","687771","Present"
-"4-(Oxiran-2-yl)-2-phenylquinoline","","","","","","","","","","","","","","","","","","","","4-(Oxiran-2-yl)-2-phenylquinoline","","C1C(O1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","QYPDECDZRHCTEF-UHFFFAOYSA-N","344157",NA,"PDBC23315","400905","Present"
-"4-(Phenethylamino)naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","Naphthalene-1,2-dione, 1,2-dihydro- 4-[(2-phenylethyl)am...","","C1=CC=C(C=C1)CCNC2=CC(=O)C(=O)C3=CC=CC=C32","CWFAFDYCTDBGBE-UHFFFAOYSA-N","367789",NA,"PDBC23316","637731","Present"
-"4-(Phenoxy(phenyl)methoxy)phenyl acetate","","","","","","","","","","","","","","","","","","","","4-(Phenoxy(phenyl)methoxy)phenyl acetate","","CC(=O)OC1=CC=C(C=C1)OC(C2=CC=CC=C2)OC3=CC=CC=C3","SNWVDNBJEJIQCM-UHFFFAOYSA-N","384228",NA,"PDBC23317","673644","Present"
-"4-(Phenoxy(phenyl)methoxy)phenyl benzoate","","","","","","","","","","","","","","","","","","","","4-(Phenoxy(phenyl)methoxy)phenyl benzoate","","C1=CC=C(C=C1)C(OC2=CC=CC=C2)OC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4","KNEAIZASOQCLRZ-UHFFFAOYSA-N","384227",NA,"PDBC23318","673643","Present"
-"4-(Phenoxy)-2,2-dimethyl-1,2-dihydropyrazolo[1,5-a]-1,3,5-triazine","","","","","","","","","","","","","","","","","","","","2,2-Dimethyl-4-phenoxy-1H-pyrazolo[1,5-a][1,3,5]triazine","","CC1(NC2=CC=NN2C(=N1)OC3=CC=CC=C3)C","IEFVMCJOPDNOHG-UHFFFAOYSA-N","373381",NA,"PDBC23319","649608","Present"
-"4-(Phenylmethoxycarbonylamino)butyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate","","","","","","","","","","","","","","","","","","","","4-(Phenylmethoxycarbonylamino)butyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate","","CCCCCCCCCC1CC2CCC3N2C(=N1)NC(=C3C(=O)OCCCCNC(=O)OCC4=CC=CC=C4)C","AVJZKLZPTTVVON-ANUFDVCNSA-N","401695",NA,"PDBC23320","715425","Present"
-"4-(Phenylsulfanyl)butanoic acid","","","","","","","","","","","","","","","","","","","","XQ70H061FX","","C1=CC=C(C=C1)SCCCC(=O)O","HHZVQLOVHIDMBD-UHFFFAOYSA-N","97324",NA,"PDBC23321","115787","Present"
-"4-(Phenylthio)phthalonitrile","","","","","","","","","","","","","","","","","","","","STK388749","","C1=CC=C(C=C1)SC2=CC(=C(C=C2)C#N)C#N","DONGQQAAIOHUPL-UHFFFAOYSA-N","371801",NA,"PDBC23322","646246","Present"
-"4-(Piperidin-1-yl)butanoic acid hydrochloride","","","","","","","","","","","","","","","","","","","","NSC15135","","C1CCN(CC1)CCCC(=O)O.Cl","IZVIJYFRXDQEOR-UHFFFAOYSA-N","13172081",NA,"PDBC23323","15135","Present"
-"4-(Pyridin-3-ylamino)naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","Naphthalene-1,2-dione, 1,2-dihydro-4-[(3-pyridinyl)amino]-","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CN=CC=C3","HZFXWCMVFFTFJE-UHFFFAOYSA-N","367787",NA,"PDBC23324","637729","Present"
-"4-(Quinoline-8-sulfonamido)benzoic acid","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[(8-quinolinyl-sulfonyl)amino]-","","C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)N=CC=C2","NBQVTLMGAPBCJA-UHFFFAOYSA-N","776645",NA,"PDBC23325","773175","Present"
-"4-(Quinoxalin-2-ylmethylamino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(Quinoxalin-2-ylmethylamino)benzenesulfonamide","","C1=CC=C2C(=C1)N=CC(=N2)CNC3=CC=C(C=C3)S(=O)(=O)N","ZBXQQAIQGLIMCK-UHFFFAOYSA-N","326873",NA,"PDBC23326","299210","Present"
-"4-(Quinoxalin-2-yloxy)phenol","","","","","","","","","","","","","","","","","","","","4-(Quinoxalin-2-yloxy)phenol","","C1=CC=C2C(=C1)N=CC(=N2)OC3=CC=C(C=C3)O","XFFJRQBCOOVRTD-UHFFFAOYSA-N","13328499",NA,"PDBC23327","752575","Present"
-"4-(Tetraphen-7-yl)benzamide","","","","","","","","","","","","","","","","","","","","A15655","","C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC=C(C=C5)C(=O)N","QNFVYQOCJNWWKQ-UHFFFAOYSA-N","262000",NA,"PDBC23328","95170","Present"
-"4-(Thiophen-2-yl)thiazol-2-amine","","","","","","","","","","","","","","","","","","","","NCIMech_000023","","C1=CSC(=C1)C2=CSC(=N2)N","XRNPDKQNHIKARG-UHFFFAOYSA-N","243973",NA,"PDBC23329","54297","Present"
-"4-(Toluene-4-sulfonyl)-[1,4]thiazepane","","","","","","","","","","","","","","","","","","","","4-(Toluene-4-sulfonyl)-[1,4]thiazepane","","CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCC2","PWVIQDRLXPSKSD-UHFFFAOYSA-N","373719",NA,"PDBC23330","650620","Present"
-"4-(Tricyclo[3.3.1.13,7]dec-1-ylsulfanyl)aniline","","","","","","","","","","","","","","","","","","","","4-(Tricyclo[3.3.1.13,7]dec-1-ylsulfanyl)aniline","","C1C2CC3CC1CC(C2)(C3)SC4=CC=C(C=C4)N","HPAYYLFYRXTNJK-UHFFFAOYSA-N","269934",NA,"PDBC23331","111654","Present"
-"4-(alpha-Chloroacetyl)antipyrine","","","","","","","","","","","","","","","","","","","","4-(alpha-Chloroacetyl)antipyrine","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CCl","QGWUTAPXLRKROO-UHFFFAOYSA-N","246657",NA,"PDBC23332","59994","Present"
-"4-(p-(Dimethylamino)styryl)-6-methoxyquinoline","","","","","","","","","","","","","","","","","","","","NIOSH/VB7295000","","CN(C)C1=CC=C(C=C1)C=CC2=C3C=C(C=CC3=NC=C2)OC","RXSOBQRGVGGANL-QPJJXVBHSA-N","5936212",NA,"PDBC23333","96379","Present"
-"4-(p-Chlorophenylazo)phenol","","","","","","","","","","","","","","","","","","","","AI3-09037","","C1=CC(=CC=C1N=NC2=CC=C(C=C2)Cl)O","MNNLUFVMZSSCJT-UHFFFAOYSA-N","101244",NA,"PDBC23334","402592","Present"
-"4-(p-Fluorobenzylideneamino)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(4-Fluorophenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC=C(C=C2)F","SIPJVMGKWHDRAJ-WUXMJOGZSA-N","9556362",NA,"PDBC23335","698072","Present"
-"4-(p-Methoxyphenyl)methylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-(p-methoxyphenyl)methylidenehydrazino-6-thioxopyrazolo...","","COC1=CC=C(C=C1)C=NNC2=C3C=NNC3=NC(=S)N2","NLYLVALOXALOIP-MKMNVTDBSA-N","135436418",NA,"PDBC23336","723125","Present"
-"4-(p-Methylphenyl)aminopyrazolo[3,4-d]pyrimidin-6-thion","","","","","","","","","","","","","","","","","","","","4-(p-methylphenyl)aminopyrazolo[3,4-d]pyrimidin-6-thion","","CC1=CC=C(C=C1)NC2=NC(=S)NC3=C2C=NN3","FAVKEMCYNMBODG-UHFFFAOYSA-N","135436400",NA,"PDBC23337","722957","Present"
-"4-(p-Tolylcarbamoyl)phenyl hydrogen p-tolylphosphoramidate, sodium salt","","","","","","","","","","","","","","","","","","","","4-(p-tolylcarbamoyl)phenyl hydrogen p-tolylphosphoramida...","","CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OP(=O)(NC3=CC=C(C=C3)C)O.[Na+]","DEYXPJUKGAHTFB-UHFFFAOYSA-N","54608555",NA,"PDBC23338","669805","Present"
-"4-(t-Butyl)imidazolium-trans-tetrahlorobis-4-(t-butyl)- ...","","","","","","","","","","","","","","","","","","","","4-(t-Butyl)imidazolium-trans-tetrahlorobis-4-(t-butyl)- ...","","","","",NA,"PDBC23339","630114","Present"
-"4-(t-Butyl)pyrimidinium-trans-tetrachlorobis-4-(t-butyl)...","","","","","","","","","","","","","","","","","","","","4-(t-Butyl)pyrimidinium-trans-tetrachlorobis-4-(t-butyl)...","","","","",NA,"PDBC23340","630133","Present"
-"4-(trifluoromethyl)benzylazanediyl)bis(methylene)diquino...","","","","","","","","","","","","","","","","","","","","4-(trifluoromethyl)benzylazanediyl)bis(methylene)diquino...","","C1=CC2=C(C=CC(=C2N=C1)O)CN(CC3=CC=C(C=C3)C(F)(F)F)CC4=C5C=CC=NC5=C(C=C4)O","JZARXLRJMQKPON-UHFFFAOYSA-N","25268906",NA,"PDBC23341","755642","Present"
-"4-({6-[(1E)-2-(2-Hydroxynaphthyl)vinyl]-4-amino-5-oxo-1,2,4-triazin-3-yl}amino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-({6-[(1E)-2-(2-Hydroxynaphthyl)vinyl]-4-amino-5-oxo-1,2,4-triazin-3-yl}amino)benzenesulfonamide","","C1=CC=C2C(=C1)C=CC(=C2C=CC3=NN=C(N(C3=O)N)NC4=CC=C(C=C4)S(=O)(=O)N)O","HMRWKTJAGOOTJI-ZHACJKMWSA-N","135436151",NA,"PDBC23342","710575","Present"
-"4-({[5-(2-Hydroxyphenyl)-2-thioxo-2,3,4-oxadiazo l-3-yl]methyl}amino)benzoic acid","","","","","","","","","","","","","","","","","","","","4-({[5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxad...","","C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=C(C=C3)C(=O)O)O","XIJMQFXOAUBRFS-UHFFFAOYSA-N","135585520",NA,"PDBC23343","731992","Present"
-"4-({[5-(4-Chlorophenyl)-2-furyl]methylene}amino)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","4-({[5-(4-Chlorophenyl)-2-furyl]methylene}amino)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione","","CC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)Cl","SLIQGZWRLVASRX-LZYBPNLTSA-N","9558615",NA,"PDBC23344","712909","Present"
-"4-1-[4-(5,6,7-Trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1H-5-imidazolylaniline","","","","","","","","","","","","","","","","","","","","4-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1...","","COC1=C(C(=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N4C=NC=C4C5=CC=C(C=C5)N)OC)OC","MDQBTTILNGSXEF-UHFFFAOYSA-N","60147789",NA,"PDBC23345","752432","Present"
-"4-Acenaphthyleno[2,1-b]thiophen-8-ylbutanoic acid","","","","","","","","","","","","","","","","","","","","4-Acenaphtho[1,2-b]thien-8-ylbutanoic acid","","C1=CC2=C3C(=C1)C4=C(C3=CC=C2)SC(=C4)CCCC(=O)O","HEOZHPHHDIDGAJ-UHFFFAOYSA-N","367945",NA,"PDBC23346","638149","Present"
-"4-Acetamido-2-ethoxy-N-(2-oxo-3-phenoxy-4-phenylazetidin-1-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-2-ethoxy-N-(2-oxo-3-phenoxy-4-phenylazetidin-1-yl)benzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)OC3=CC=CC=C3)C4=CC=CC=C4","FKCLBTSAUSGPMX-UHFFFAOYSA-N","402308",NA,"PDBC23347","716199","Present"
-"4-Acetamido-2-ethoxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-2-ethoxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(SCC2=O)C3=CC=CC=C3","JZLZRMODUWYVSC-UHFFFAOYSA-N","402315",NA,"PDBC23348","716206","Present"
-"4-Acetamido-2-ethoxy-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-2-ethoxy-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(=NC(=CC3=CC=CO3)C2=O)C4=CC=CC=C4","QBZGMWBJMARQDE-QNGOZBTKSA-N","5472080",NA,"PDBC23349","716187","Present"
-"4-Acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(=NC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","XTIRDAYORCDVIK-UCQKPKSFSA-N","5472082",NA,"PDBC23350","716189","Present"
-"4-Acetamido-2-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-2-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN=CC2=CC=CO2","PHJHDIIHHLEKIE-LICLKQGHSA-N","9559219",NA,"PDBC23351","716197","Present"
-"4-Acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(SCC2=O)C3=CC(=C(C=C3)O)OC","KXOLTSWJLMEOTO-UHFFFAOYSA-N","402316",NA,"PDBC23352","716207","Present"
-"4-Acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-phenoxyazetidin-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-phenoxyazetidin-1-yl]benzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)OC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC","FWCLBJMXRRMPGA-UHFFFAOYSA-N","402311",NA,"PDBC23353","716202","Present"
-"4-Acetamido-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-2-ethoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-2-ethoxybenzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3","WSHRVPPXGNTILO-UHFFFAOYSA-N","402312",NA,"PDBC23354","716203","Present"
-"4-Acetamido-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide","","CC(=O)NC1=CC(=C(C=C1)C(=O)NN2C(=NC(=CC3=CC=CO3)C2=O)C4=CC=CC=C4)OC","UAUWSKGNVAADIY-ZHZULCJRSA-N","5472048",NA,"PDBC23355","716150","Present"
-"4-Acetamido-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-ethoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-ethoxybenzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(=NC(=CC3=CC=C(C=C3)Cl)C2=O)C4=CC=CC=C4","ZKBVOYHJKNCKRJ-HAHDFKILSA-N","5472079",NA,"PDBC23356","716186","Present"
-"4-Acetamido-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide","","CC(=O)NC1=CC(=C(C=C1)C(=O)NN=CC2=C(C=C(C=C2)Cl)Cl)OC","WFHPCMCVSQHXJU-AWQFTUOYSA-N","9572428",NA,"PDBC23357","716142","Present"
-"4-Acetamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide","","CC(=O)NC1=CC(=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)O)OC)OC","MFXAZGGRQDASOE-VXLYETTFSA-N","135436250",NA,"PDBC23358","716144","Present"
-"4-Acetamido-N-[(E)-furan-2-ylmethylideneamino]-2-methoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[(E)-furan-2-ylmethylideneamino]-2-methoxybenzamide","","CC(=O)NC1=CC(=C(C=C1)C(=O)NN=CC2=CC=CO2)OC","IDFCQSUTDJUZDE-CXUHLZMHSA-N","9572429",NA,"PDBC23359","716143","Present"
-"4-Acetamido-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-methoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-methoxybenzamide","","CC(=O)NC1=CC(=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC(=C(C=C3)O)OC)OC","XVIPIIATAHTROV-UHFFFAOYSA-N","402263",NA,"PDBC23360","716154","Present"
-"4-Acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)O)OC","XYVJSKRTUWFYFF-UHFFFAOYSA-N","402314",NA,"PDBC23361","716205","Present"
-"4-Acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-methoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-methoxybenzamide","","CC(=O)NC1=CC(=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)O)OC)OC","RHQPBWBKLBNKDQ-UHFFFAOYSA-N","402256",NA,"PDBC23362","716147","Present"
-"4-Acetamido-N-[3-chloro-2-(furan-2-yl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[3-chloro-2-(furan-2-yl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)Cl)C3=CC=CO3","YPKRLWWSVLCTLX-UHFFFAOYSA-N","402313",NA,"PDBC23363","716204","Present"
-"4-Acetamido-N-[3-chloro-2-(furan-2-yl)-4-oxoazetidin-1-yl]-2-methoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[3-chloro-2-(furan-2-yl)-4-oxoazetidin-1-yl]-2-methoxybenzamide","","CC(=O)NC1=CC(=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=CO3)OC","XJWPKJQJPBGGIZ-UHFFFAOYSA-N","402255",NA,"PDBC23364","716146","Present"
-"4-Acetamido-N-[3-chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[3-chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-1-yl]benzamide","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C(=C3)OC)OC)OC","HIXFLJPXFRBGRX-UHFFFAOYSA-N","374191",NA,"PDBC23365","651667","Present"
-"4-Acetamido-N-[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","4-Acetamido-N-[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]","","CC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NCCC(=O)NCCCN(C)C)C)C)C)C)C.C(=O)(C(F)(F)F)O","QIBYKTQKARRURH-UHFFFAOYSA-N","389090",NA,"PDBC23366","684750","Present"
-"4-Acetamidochalcone","","","","","","","","","","","","","","","","","","","","4-Acetamidochalcone","","CC(=O)NC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2","MJYUMWOKEJNYEM-FMIVXFBMSA-N","5896580",NA,"PDBC23367","640541","Present"
-"4-Acetoxy-3',4',5'-trimethoxystilbene","","","","","","","","","","","","","","","","","","","","4-Acetoxy-3',4',5'-trimethoxystilbene","","CC(=O)OC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","SYAOAXJVQVJDPD-AATRIKPKSA-N","5388766",NA,"PDBC23368","638481","Present"
-"4-Acetoxy-4-methyl-2,5-cyclohexadiene-1-one","","","","","","","","","","","","","","","","","","","","4-Acetoxy-4-methyl-2,5-cyclohexadiene-1-one","","CC(=O)OC1(C=CC(=O)C=C1)C","VAWNSOIWPPSKIJ-UHFFFAOYSA-N","394650",NA,"PDBC23369","698252","Present"
-"4-Acetoxy-6,7-ethano-3a, 4,7,7a-tetrahydro-1H-isoindole-1,3(2H)dione HCl","","","","","","","","","","","","","","","","","","","","4-acetoxy-6,8-dimethyl-2-[2-(diethylamino)-ethyl]-4,7-et...","","CCN(CC)CCN1C(=O)C2C3C(CC(C2C1=O)(C=C3C)OC(=O)C)C.Cl","CIHICLAOXFGNPK-UHFFFAOYSA-N","24205633",NA,"PDBC23370","736301","Present"
-"4-Acetoxybenzoic acid-propargylester","","","","","","","","","","","","","","","","","","","","4-Acetoxybenzoic acid-propargylester","","CC(=O)OC1=CC=C(C=C1)C(=O)OCC#C","CYUDZBMZQLGPOB-UHFFFAOYSA-N","390927",NA,"PDBC23371","689148","Present"
-"4-Acetyl-1-(2-isopropylphenyl)-2,3,5-pyrrolidinetrione","","","","","","","","","","","","","","","","","","","","4-Acetyl-1-(2-isopropylphenyl)-2,3,5-pyrrolidinetrione","","CC(C)C1=CC=CC=C1N2C(=O)C(C(=O)C2=O)C(=O)C","RSIJLVPDCCANIT-UHFFFAOYSA-N","361093",NA,"PDBC23372","623898","Present"
-"4-Acetyl-1-(4-chloro-2-methylphenyl)-2,3,5-pyrrolidinetrione","","","","","","","","","","","","","","","","","","","","4-Acetyl-1-(4-chloro-2-methylphenyl)-2,3,5-pyrrolidinetrione","","CC1=C(C=CC(=C1)Cl)N2C(=O)C(C(=O)C2=O)C(=O)C","JVYLKHNOKRENNE-UHFFFAOYSA-N","364508",NA,"PDBC23373","630894","Present"
-"4-Acetyl-1-[2-(3-acetyl-2,4,5-trioxo-pyrrolidin-1-yl)ethyl]pyrrolidine-2,3,5-trione","","","","","","","","","","","","","","","","","","","","4-Acetyl-1-[2-(3-acetyl-2,4,5-trioxo-pyrrolidin-1-yl)ethyl]pyrrolidine-2,3,5-trione","","CC(=O)C1C(=O)C(=O)N(C1=O)CCN2C(=O)C(C(=O)C2=O)C(=O)C","CUSDYBFCHGCLQB-UHFFFAOYSA-N","364518",NA,"PDBC23374","630904","Present"
-"4-Acetyl-1-[2-(3-acetyl-2,4,5-trioxo-pyrrolidin-1-yl)phenyl]pyrrolidine-2,3,5-trione","","","","","","","","","","","","","","","","","","","","4-Acetyl-1-[2-(3-acetyl-2,4,5-trioxo-pyrrolidin-1-yl)phenyl]pyrrolidine-2,3,5-trione","","CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC=CC=C2N3C(=O)C(C(=O)C3=O)C(=O)C","QAQOETFTTKOZPD-UHFFFAOYSA-N","361095",NA,"PDBC23375","623900","Present"
-"4-Acetyl-1-methylcyclohexene","","","","","","","","","","","","","","","","","","","","Limona ketone","","CC1=CCC(CC1)C(=O)C","HOBBEYSRFFJETF-UHFFFAOYSA-N","93019",NA,"PDBC23376","632952","Present"
-"4-Acetyl-2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-carboxylic acid; 1-phenylethanamine","","","","","","","","","","","","","","","","","","","","4-Acetyl-2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-carboxylic acid;1-phenylethanamine","","CC(C1=CC=CC=C1)N.CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)O","RBJAOMSSUVNMDY-UHFFFAOYSA-N","382638",NA,"PDBC23377","670287","Present"
-"4-Acetyl-2,2,6,6-tetramethyl-3,5-heptanedione","","","","","","","","","","","","","","","","","","","","dipivaloyl-acetone","","CC(=O)C(C(=O)C(C)(C)C)C(=O)C(C)(C)C","IFBGBXGWLLDOKX-UHFFFAOYSA-N","389076",NA,"PDBC23378","684726","Present"
-"4-Acetyl-2,3-dimethyl-1-oxo-1H-pyrrolo[1,2-a]benzimidazol-3a(4H)-yl acetate","","","","","","","","","","","","","","","","","","","","4-Acetyl-2,3-dimethyl-1-oxo-1H-pyrrolo[1,2-a]benzimidazol-3a(4H)-yl acetate","","CC1=C(C2(N(C1=O)C3=CC=CC=C3N2C(=O)C)OC(=O)C)C","RVRUFZVVXDPBIT-UHFFFAOYSA-N","363569",NA,"PDBC23379","628541","Present"
-"4-Acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)","","","","","","","","","","","","","","","","","","","","4-Acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)","","CC1C(=C(C(=O)O1)C(=O)C)[O-].CC1C(=C(C(=O)O1)C(=O)C)[O-].C1CCC(C(C1)[NH-])[NH-].[Pt+4]","PHWOOTRKXNOARD-XJIGFLRXSA-L","374013",NA,"PDBC23380","651087","Present"
-"4-Acetyl-3-amino-4-methyl-5-propyl-2-cyclopentene-1,1,2-tricarbonitrile","","","","","","","","","","","","","","","","","","","","4-Acetyl-3-amino-4-methyl-5-propylcyclopent-2-ene-1,1,2-tricarbonitrile","","CCCC1C(C(=C(C1(C#N)C#N)C#N)N)(C)C(=O)C","IIIIOZNTOGBOQU-UHFFFAOYSA-N","387751",NA,"PDBC23381","681780","Present"
-"4-Acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid","","CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)O","BXROPVDEWARMDH-UHFFFAOYSA-N","365582",NA,"PDBC23382","633381","Present"
-"4-Acetyl-N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Acetyl-N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide","","CC(=O)C1=CC=C(C=C1)C(=O)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","DEKGYEPHEASSDU-BSAOIWFSSA-N","369923",NA,"PDBC23383","642290","Present"
-"4-Acetylpyrrolidine-2,3,5-trione","","","","","","","","","","","","","","","","","","","","4-Acetylpyrrolidine-2,3,5-trione","","CC(=O)C1C(=O)C(=O)NC1=O","WWWXEUMPTSJKBO-UHFFFAOYSA-N","364529",NA,"PDBC23384","630915","Present"
-"4-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one","","","","","","","","","","","","","","","","","","","","4-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one","","CC(=O)C1=CC=CC2=C1CC3(C2)CC4=C(C3=O)C5=C(CCC5)C=C4","TXDJWBFUEXVKEI-UHFFFAOYSA-N","385657",NA,"PDBC23385","677003","Present"
-"4-Acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one","","","","","","","","","","","","","","","","","","","","Spiro[as-indacene-2(1H),2'(1'H)-[s]indacen]-1-one, 4'-acetyl-3,3',5',6,6',7,7',8-octahydro-","","CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C6=C(CCC6)C=C5","ZASRJJAKDNQGAJ-UHFFFAOYSA-N","385658",NA,"PDBC23386","677004","Present"
-"4-Acridin-9-yloxybenzaldehyde","","","","","","","","","","","","","","","","","","","","4-Acridin-9-yloxybenzaldehyde","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)OC4=CC=C(C=C4)C=O","VINJFCHLENRFGN-UHFFFAOYSA-N","404366",NA,"PDBC23387","720570","Present"
-"4-Acridinecarboxamide, 1-chloro-9-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-","","","","","","","","","","","","","","","","","","","","1-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)Cl)C","ZDETZQGGYMTKLL-UHFFFAOYSA-N","365425",NA,"PDBC23388","633045","Present"
-"4-Acridinecarboxamide, 1-chloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-","","","","","","","","","","","","","","","","","","","","1-Chloro-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)Cl","VEVDAEHMNYLCTR-UHFFFAOYSA-N","365402",NA,"PDBC23389","633022","Present"
-"4-Acridinecarboxamide, 6-chloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-","","","","","","","","","","","","","","","","","","","","6-Chloro-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)Cl","QXSBTBILCMBWID-UHFFFAOYSA-N","365405",NA,"PDBC23390","633025","Present"
-"4-Acridinecarboxamide, 9-[[4-(aminosulfonyl)phenyl]amino]-1-chloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-","","","","","","","","","","","","","","","","","","","","1-Chloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)N)Cl","HCBNVLMHLFPZKA-UHFFFAOYSA-N","365423",NA,"PDBC23391","633043","Present"
-"4-Acridinecarboxamide, 9-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-","","","","","","","","","","","","","","","","","","","","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)C","VNSJWFKYDGJDJG-UHFFFAOYSA-N","365417",NA,"PDBC23392","633037","Present"
-"4-Acridinecarboxamide, 9-[[4-[[(aminoiminomethyl)amino]sulfonyl]phenyl]amino]-1-chloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-","","","","","","","","","","","","","","","","","","","","1-Chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl","ZFWZEUQUNHQPIE-UHFFFAOYSA-N","365424",NA,"PDBC23393","633044","Present"
-"4-Acridinecarboxamide, 9-amino-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, 9-amino-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)N","KNTUWVYQXDZHBV-UHFFFAOYSA-N","370662",NA,"PDBC23394","644038","Present"
-"4-Acridinecarboxamide, N-[4-(aminosulfonyl)phenyl]-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, N-[4-(aminosulfonyl)phenyl]-9-[[4...","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N","GDTFAPHQOIXKPO-UHFFFAOYSA-N","365408",NA,"PDBC23395","633028","Present"
-"4-Acridinecarboxamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=CC5=CC=CC=C5N=C43","KKVKRNDSGZWACU-UHFFFAOYSA-N","370670",NA,"PDBC23396","644046","Present"
-"4-Acridinecarboxamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-","","","","","","","","","","","","","","","","","","","","9-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C","WRBMHUKVLNULCZ-UHFFFAOYSA-N","365399",NA,"PDBC23397","633019","Present"
-"4-Acridinecarboxamide, N-[4-[[(aminoiminomethyl)amino]sulfonyl]phenyl]-1-chloro-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-","","","","","","","","","","","","","","","","","","","","1-Chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl","SAZBVNDCUZYFQW-UHFFFAOYSA-N","365420",NA,"PDBC23398","633040","Present"
-"4-Allyl-4-(4-methoxyphenyl)-2-cyclohexen-1-one","","","","","","","","","","","","","","","","","","","","4-Allyl-4-(4-methoxyphenyl)-2-cyclohexen-1-one","","COC1=CC=C(C=C1)C2(CCC(=O)C=C2)CC=C","MRRVEXMNPHRCNT-UHFFFAOYSA-N","337569",NA,"PDBC23399","356123","Present"
-"4-Allyl-4-benzyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-dihydro-furan-2,3-dione","","","","","","","","","","","","","","","","","","","","4-Allyl-4-benzyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-dihydro-furan-2,3-dione","","CC1(OCC(O1)C2C(C(=O)C(=O)O2)(CC=C)OCC3=CC=CC=C3)C","QUSJNYTVFAJGCT-UHFFFAOYSA-N","386046",NA,"PDBC23400","677613","Present"
-"4-Amidinophenylmethanesulfonyl fluoride hydrochloride","","","","","","","","","","","","","","","","","","","","apmsf","","C1=CC(=CC=C1CS(=O)(=O)F)C(=N)N.Cl","KHLLRHIUKOJXLL-UHFFFAOYSA-N","16218950",NA,"PDBC23401","727369","Present"
-"4-Amino-1,2-dihydrobenz(cd)indol-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1,2-dihydrobenz(cd)indol-2-one","","C1=CC2=CC(=CC3=C2C(=C1)NC3=O)N","MCVDZIQTLRBPKP-UHFFFAOYSA-N","356218",NA,"PDBC23402","611372","Present"
-"4-Amino-1,2-dithiolane-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC109825","","C1C(CSS1)(C(=O)O)N","FMXJRGKDBHQFDW-UHFFFAOYSA-N","269217",NA,"PDBC23403","109825","Present"
-"4-Amino-1,2-naphthoquinone","","","","","","","","","","","","","","","","","","","","4-Amino-1,2-naphthoquinone","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)N","IGONFFFOEMASIA-UHFFFAOYSA-N","72908",NA,"PDBC23404","25028","Present"
-"4-Amino-1,3-dibromo-5H-phenanthridin-6-one","","","","","","","","","","","","","","","","","","","","4-Amino-1,3-dibromophenanthridin-6(5H)-one","","C1=CC=C2C(=C1)C3=C(C(=C(C=C3Br)Br)N)NC2=O","HDFRODLERVAMAX-UHFFFAOYSA-N","278033",NA,"PDBC23405","127128","Present"
-"4-Amino-1,4-dihydropyrazol-5-one","","","","","","","","","","","","","","","","","","","","STL490534","","C1=NNC(=O)C1N","USGNZHHNWYDCTC-UHFFFAOYSA-N","358966",NA,"PDBC23406","619159","Present"
-"4-Amino-1-(2-hydroxyethoxymethyl)-5H-pyrazolo[3,4-d]pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[(2-hydroxyethoxy)methyl]-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one","","C1=NN(C2=NC(=O)NC(=C21)N)COCCO","SMDUTKLXOXIYQO-UHFFFAOYSA-N","135503407",NA,"PDBC23407","622936","Present"
-"4-Amino-1-(2-hydroxyethyl)pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyethyl)cytosine","","C1=CN(C(=O)N=C1N)CCO","ATQNWDREMOIFSG-UHFFFAOYSA-N","367641",NA,"PDBC23408","637519","Present"
-"4-Amino-1-(beta-D-ribofuranosyl)pyrrolo[2,3-d]pyridazine hydrochloride","","","","","","","","","","","","","","","","","","","","4-amino-1-(.beta.-D-ribofuranosyl)pyrrolo[2,3-d]pyridazi...","","C1=CN(C2=CN=NC(=C21)N)C3C(C(C(O3)CO)O)O.Cl","UUMRKMASKXQLMF-UHFFFAOYSA-N","365911",NA,"PDBC23409","634034","Present"
-"4-Amino-1-(oxan-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-(tetrahydro-2H-pyran-2-yl)-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one","","C1CCOC(C1)N2C3=NC(=O)NC(=C3C=N2)N","VKUINRZQHQNXSQ-UHFFFAOYSA-N","135503406",NA,"PDBC23410","622935","Present"
-"4-Amino-1-(p-chlorophenyl)-3-methylpyrrolo[2,3-d]pyrimidin-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Amino-1-(p-chlorophenyl)-3-methylpyrrolo[2,3-d]pyrimid...","","CC1=C(N(C2=NC=NC(=C12)N)C3=CC=C(C=C3)Cl)C(=O)O","MSAMCYFETBNRGS-UHFFFAOYSA-N","405969",NA,"PDBC23411","723792","Present"
-"4-Amino-1-[(1R)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3,5-triazin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[(1R)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3,5-triazin-2(1H)-one","","C1=C(C(C(C1N2C=NC(=NC2=O)N)O)O)CO","MPNOBTCOXZTZMJ-GRQBKTHUSA-N","364971",NA,"PDBC23412","631875","Present"
-"4-Amino-1-[(E)-2-diethoxyphosphorylvinyl]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[(E)-2-diethoxyphosphorylvinyl]pyrimidin-2-one","","CCOP(=O)(C=CN1C=CC(=NC1=O)N)OCC","YOLNCEADVZJJAP-BQYQJAHWSA-N","5470773",NA,"PDBC23413","704893","Present"
-"4-Amino-1-[(Z)-2-diethoxyphosphorylvinyl]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[(Z)-2-diethoxyphosphorylvinyl]pyrimidin-2-one","","CCOP(=O)(C=CN1C=CC(=NC1=O)N)OCC","YOLNCEADVZJJAP-FPLPWBNLSA-N","5470774",NA,"PDBC23414","704894","Present"
-"4-Amino-1-[2-hydroxy-2-(1H-indol-2-yl)ethyl]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[2-hydroxy-2-(1H-indol-2-yl)ethyl]pyrimidin-2-one","","C1=CC=C2C(=C1)C=C(N2)C(CN3C=CC(=NC3=O)N)O","WIPYTKNAAQMPQR-UHFFFAOYSA-N","396998",NA,"PDBC23415","704235","Present"
-"4-Amino-1-[3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)SC4C(C(OC4N5C=CC(=NC5=O)N)CO)O","GZRPHSVPZRZRDD-UHFFFAOYSA-N","401181",NA,"PDBC23416","714382","Present"
-"4-Amino-1-[4,5-dihydroxy-1,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[4,5-dihydroxy-1,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2(1H)-one","","C1=CN(C(=O)N=C1N)C2(C=C(C(C2O)O)CO)CO","BBNNDIPADHZUAH-UHFFFAOYSA-N","366732",NA,"PDBC23417","635454","Present"
-"4-Amino-1-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3,5-triazin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3,5-triazin-2(1H)-one","","C1=C(C(C(C1N2C=NC(=NC2=O)N)O)O)CO","MPNOBTCOXZTZMJ-UHFFFAOYSA-N","366730",NA,"PDBC23418","635452","Present"
-"4-Amino-1-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyridin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyridin-2(1H)-one","","C1=CN(C(=O)C=C1N)C2C=C(C(C2O)O)CO","YCRKYJVJMABCKH-UHFFFAOYSA-N","363220",NA,"PDBC23419","627961","Present"
-"4-Amino-1-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidin-2-one","","C1C(C(C(OC1N2C=C(C(=NC2=O)N)F)CO)O)O","XFQSDALDOVQOKO-UHFFFAOYSA-N","257340",NA,"PDBC23420","85308","Present"
-"4-Amino-1-benzyl-2-phenyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Amino-1-benzyl-2-phenyl-1,2,4-triazolidine-3,5-dione","","C1=CC=C(C=C1)CN2C(=O)N(C(=O)N2C3=CC=CC=C3)N","JSNHDWWDUWFXHY-UHFFFAOYSA-N","363967",NA,"PDBC23421","629566","Present"
-"4-Amino-1-benzyl-5H-pyrazolo[3,4-d]pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","4-Amino-1-benzyl-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one","","C1=CC=C(C=C1)CN2C3=NC(=O)NC(=C3C=N2)N","JOXPVVFOFSJNNB-UHFFFAOYSA-N","135478196",NA,"PDBC23422","622937","Present"
-"4-Amino-1-benzylpiperidine","","","","","","","","","","","","","","","","","","","","4-amino-1-benzylpiperidine","","C1CN(CCC1N)CC2=CC=CC=C2","YUBDLZGUSSWQSS-UHFFFAOYSA-N","415852",NA,"PDBC23423","730607","Present"
-"4-Amino-1-methyl-1H-imidazole-5-carboselenoamide","","","","","","","","","","","","","","","","","","","","4-Amino-1-methyl-1H-imidazole-5-carboselenoamide","","CN1C=NC(=C1C(=N)[Se])N","SMYADAJBJIXZHB-UHFFFAOYSA-N","6327894",NA,"PDBC23424","205357","Present"
-"4-Amino-1-methyl-6-piperidinopyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-Amino-1-methyl-6-piperidinopyrazolo[3,4-d]pyrimidine","","CN1C2=NC(=NC(=C2C=N1)N)N3CCCCC3","XOQXMHMLTPLJEX-UHFFFAOYSA-N","405596",NA,"PDBC23425","722963","Present"
-"4-Amino-11-[(4-chlorophenyl)methyl]-5,6,8,11-tetrazatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),3,6,12,14,16-hexaen-9-one","","","","","","","","","","","","","","","","","","","","4-Amino-11-[(4-chlorophenyl)methyl]-5,6,8,11-tetrazatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),3,6,12,14,16-hexaen-9-one","","C1C2=C(C(=O)NC3=NNC(=C31)N)N(C4=CC=CC=C24)CC5=CC=C(C=C5)Cl","MGKDRYGXJADUDS-UHFFFAOYSA-N","388273",NA,"PDBC23426","682914","Present"
-"4-Amino-14-nitro-6-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-14-nitro-6-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile","","C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CC=C4","PRCKAOQISITRQL-UHFFFAOYSA-N","403235",NA,"PDBC23427","717894","Present"
-"4-Amino-1H-imidazole-2,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-1H-imidazole-2,5-dicarbonitrile","","C(#N)C1=C(N=C(N1)C#N)N","ROXJKYXRRSOBPB-UHFFFAOYSA-N","385943",NA,"PDBC23428","677415","Present"
-"4-Amino-2,2,6,6-tetramethyl-3,5-heptanedione","","","","","","","","","","","","","","","","","","","","4-Amino-2,2,6,6-tetramethylheptane-3,5-dione","","CC(C)(C)C(=O)C(C(=O)C(C)(C)C)N","IXPNYTNGVLSTHW-UHFFFAOYSA-N","389079",NA,"PDBC23429","684729","Present"
-"4-Amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone","","","","","","","","","","","","","","","","","","","","4-Aamino-2,6-dimethyl-5-[5-(4-methylphenyl)-1H-pyrazol-3...","","CC1=CC=C(C=C1)C2=NNC(=C2)C3=C(C(=O)N(N=C3C)C)N","QBYGBWFAFPXSJS-UHFFFAOYSA-N","403912",NA,"PDBC23430","719571","Present"
-"4-Amino-2-((4-methoxybenzylidene)amino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-2-((4-methoxybenzylidene)amino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile","","COC1=CC=C(C=C1)C=NN2C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C4=CC=CC=C4)C5=CC=CC=C5","QCPLFIMBHQCIBJ-VTNSRFBWSA-N","9578738",NA,"PDBC23431","697047","Present"
-"4-Amino-2-(1H-benzimidazol-2-ylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-2-(1H-benzimidazol-2-ylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile","","COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=N2)NC3=NC4=CC=CC=C4N3)N)C#N","JOWVCGGXWXUBMV-UHFFFAOYSA-N","60147685",NA,"PDBC23432","752200","Present"
-"4-Amino-2-(4-chloroanilino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-2-(4-chloroanilino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","C1=CC=C(C=C1)NC(=S)C2=C(NC(=C2N)C(=O)C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)Cl","ZNBUNKOWADISJX-UHFFFAOYSA-N","5472776",NA,"PDBC23433","721531","Present"
-"4-Amino-2-(4-chloroanilino)-5-(4-methoxybenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-2-(4-chloroanilino)-5-(4-methoxybenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","COC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=CC=C(C=C3)Cl)C(=S)NC4=CC=CC=C4)N","AOZUNSNYSQOEEK-UHFFFAOYSA-N","5472821",NA,"PDBC23434","721858","Present"
-"4-Amino-2-(4-chloroanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-2-(4-chloroanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=CC=C(C=C3)Cl)C(=S)NC4=CC=CC=C4)N","ABMVZGXSTHXHIO-UHFFFAOYSA-N","5472799",NA,"PDBC23435","721554","Present"
-"4-Amino-2-(5H-chromeno[4,3-d]pyrimidin-2-ylamino)-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-Amino-2-(5h-chromeno[4,3-d]pyrimidin-2-ylamino)-4-oxo-butanoic acid","","C1C2=CN=C(N=C2C3=CC=CC=C3O1)NC(CC(=O)N)C(=O)O","YWIIMIOORXJSDO-UHFFFAOYSA-N","390584",NA,"PDBC23436","688107","Present"
-"4-Amino-2-(benzylamino)-5-(3,4-dichlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-2-(benzylamino)-5-(3,4-dichlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC(=C(C=C3)Cl)Cl)N)C(=S)NC4=CC=CC=C4","NNXWGIRCVKYXRV-UHFFFAOYSA-N","5472781",NA,"PDBC23437","721536","Present"
-"4-Amino-2-(benzylamino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-2-(benzylamino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4","DOBDKLHUGXVJKF-UHFFFAOYSA-N","5472780",NA,"PDBC23438","721535","Present"
-"4-Amino-2-(benzylamino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-2-(benzylamino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide","","CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)N","MJVUZEFAQAJPTN-UHFFFAOYSA-N","5472778",NA,"PDBC23439","721533","Present"
-"4-Amino-2-(methylamino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-2-(methylamino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile","","CNN1C(=O)C2=C(C(=C(C(=C2C1=O)N)C#N)C3=CC=CC=C3)C4=CC=CC=C4","FGMWKTXSFWBIGO-UHFFFAOYSA-N","393974",NA,"PDBC23440","697046","Present"
-"4-Amino-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-Amino-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-4-oxobutanoic acid","","C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CC(=O)N)C(=O)O","AJGUZRWWUWJACA-UHFFFAOYSA-N","373576",NA,"PDBC23441","650029","Present"
-"4-Amino-2-anilino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-2-anilino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile","","C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)NC5=CC=CC=C5)N)C#N","BIGXHKZVGYIKTJ-UHFFFAOYSA-N","393973",NA,"PDBC23442","697045","Present"
-"4-Amino-2-anilino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-2-anilino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile","","CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)NC3=CC=CC=C3)C","UFNNAJYEGQUZDX-UHFFFAOYSA-N","393965",NA,"PDBC23443","697037","Present"
-"4-Amino-2-benzoyl-5-phenyl-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","4-Amino-2-benzoyl-5-phenyl-1,2,4-triazol-3-one","","C1=CC=C(C=C1)C2=NN(C(=O)N2N)C(=O)C3=CC=CC=C3","KUWWLVAPUPYSTN-UHFFFAOYSA-N","386142",NA,"PDBC23444","677774","Present"
-"4-Amino-2-hydrazino-6-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one","","","","","","","","","","","","","","","","","","","","4-Amino-2-hydrazino-6-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one","","CC1CC2=C(N=C(N=C2NC1=O)NN)N","LEJYBEKWLQBFKA-UHFFFAOYSA-N","362169",NA,"PDBC23445","625747","Present"
-"4-Amino-2-hydroxy-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-2-hydroxy-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile","","C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)O)N)C#N","MIQINOYXVULBGO-UHFFFAOYSA-N","393966",NA,"PDBC23446","697038","Present"
-"4-Amino-2-hydroxy-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-2-hydroxy-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile","","CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)O)C","DXDZLKBBLSTAPJ-UHFFFAOYSA-N","393961",NA,"PDBC23447","697033","Present"
-"4-Amino-2-methyl-5-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","4-Amino-2-methyl-5-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","CC1=CC=C(C=C1)CC2=NN(C(=O)N2N)C","BRMWIDLRDKDPLF-UHFFFAOYSA-N","389496",NA,"PDBC23448","685782","Present"
-"4-Amino-2-methylbenzaldehyde","","","","","","","","","","","","","","","","","","","","4-Amino-2-methylbenzaldehyde","","CC1=C(C=CC(=C1)N)C=O","ZBHHWKBPSJWDBX-UHFFFAOYSA-N","383956",NA,"PDBC23449","672960","Present"
-"4-Amino-2-oxo-3-phenyl-1H-imidazole-5-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-oxo-1-phenyl-2,3-dihydro-1H-imidazole-4-carbonitrile","","C1=CC=C(C=C1)N2C(=C(NC2=O)C#N)N","CXDMRPFOYQEPAN-UHFFFAOYSA-N","379268",NA,"PDBC23450","663774","Present"
-"4-Amino-3,5-dichloro-N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-3,5-dichloro-N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)benzamide","","COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC(=C(C(=C3)Cl)N)Cl","UCGWLRAHZIJPNH-UHFFFAOYSA-N","379857",NA,"PDBC23451","664993","Present"
-"4-Amino-3-(2-hydrazinoethyl)-1H-1,2,4-triazol-5-one; formaldehyde","","","","","","","","","","","","","","","","","","","","4-Amino-3-(2-hydrazinoethyl)-1H-1,2,4-triazol-5-one; formaldehyde","","C=O.C(CNN)C1=NNC(=O)N1N","UOXJWXNUYRIZAI-UHFFFAOYSA-N","384780",NA,"PDBC23452","675216","Present"
-"4-Amino-3-(2-methoxyphenyl)-5-methyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","4-Amino-3-(2-methoxyphenyl)-5-methyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione","","CC1=C(NC2=NC(=S)N(C(=C12)N)C3=CC=CC=C3OC)C4=CC=CC=C4","FKNMYOLBVZNZSS-UHFFFAOYSA-N","3004447",NA,"PDBC23453","655419","Present"
-"4-Amino-3-(4-nitrophenyl)-2-oxo-1H-imidazole-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-3-(4-nitrophenyl)-2-oxo-1H-imidazole-5-carbonitrile","","C1=CC(=CC=C1N2C(=C(NC2=O)C#N)N)[N+](=O)[O-]","YSYCGKUUVXCBME-UHFFFAOYSA-N","3836224",NA,"PDBC23454","663775","Present"
-"4-Amino-3-(p-chlorobenzyl)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Amino-3-(p-chlorobenzyl)-1H-1,2,4-triazol-5-one","","C1=CC(=CC=C1CC2=NNC(=O)N2N)Cl","MMGCFXABPOMXGC-UHFFFAOYSA-N","385484",NA,"PDBC23455","676720","Present"
-"4-Amino-3-(p-chlorophenyl)-5-[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidenehydrazinocarbonyl]thiazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","4-amino-3-(p-chlorophenyl)-5-[(1-phenyl-3,5-dimethylpyra...","","CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)N","FUHWKCDGKNQLHR-BRJLIKDPSA-N","9572520",NA,"PDBC23456","720055","Present"
-"4-Amino-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Amino-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one","","C1=CC(=CC=C1CC2=NNC(=O)N2N)[N+](=O)[O-]","FTZJIUOQQYVPPI-UHFFFAOYSA-N","384782",NA,"PDBC23457","675217","Present"
-"4-Amino-3-[(4-{[(4,6-dimethylpyrimidin-2-yl)amino]sulfonyl}phenyl)amino]-1,2,4-triazin-5-one","","","","","","","","","","","","","","","","","","","","4-[(4-Amino-5-oxo-1,2,4-triazin-3-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=CC(=O)N3N)C","JKMPHQOEQZIUEO-UHFFFAOYSA-N","399667",NA,"PDBC23458","710585","Present"
-"4-Amino-3-[2-[2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)anilino]phenyl]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-Amino-3-[2-[2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)anilino]phenyl]-1H-1,2,4-triazole-5-thione","","C1=CC=C(C(=C1)C2=NNC(=S)N2N)NC3=CC=CC=C3C4=NNC(=S)N4N","ROFANEFYHBZYSH-UHFFFAOYSA-N","3005880",NA,"PDBC23459","698460","Present"
-"4-Amino-3-[8-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)octyl]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-Amino-3-[8-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)octyl]-1H-1,2,4-triazole-5-thione","","C(CCCCC1=NNC(=S)N1N)CCCC2=NNC(=S)N2N","ZTMZPCQFOPVJLI-UHFFFAOYSA-N","3283787",NA,"PDBC23460","700438","Present"
-"4-Amino-3-[[4-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-Amino-3-[[4-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-1H-1,2,4-triazole-5-thione","","CC(C)(C)C1=CC(=C(C=C1OCC2=NNC(=S)N2N)Cl)OCC3=NNC(=S)N3N","VQCSIMNXTNBVMD-UHFFFAOYSA-N","5472199",NA,"PDBC23461","716887","Present"
-"4-Amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate;2-ethylbutyl 2-cyanoprop-2-enoate;methylsulfinylmethane;platinum(2+)","","","","","","","","","","","","","","","","","","","","4-Amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate;2-ethylbutyl 2-cyanoprop-2-enoate;methylsulfinylmethane;platinum(2+)","","CCC(CC)COC(=O)C(=C)C#N.CCC(CC)COC(=O)C(=C)C#N.CS(=O)C.CS(=O)C.C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Pt+2]","VVIRANNEOAOEFI-UHFFFAOYSA-L","5351345",NA,"PDBC23462","615593","Present"
-"4-Amino-3-benzyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Amino-3-benzyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2N","AZMCJBWBAUGCAN-UHFFFAOYSA-N","384492",NA,"PDBC23463","674325","Present"
-"4-Amino-3-ethyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Amino-3-ethyl-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1N","ZXGTZAGVVNTWAW-UHFFFAOYSA-N","384491",NA,"PDBC23464","674324","Present"
-"4-Amino-3-iodo-1-(beta-D-ribofuranosyl)pyrrolo[2,3-d] pyridazin-7-one","","","","","","","","","","","","","","","","","","","","4-amino-3-iodo-1-(.beta.-D-ribofuranosyl)pyrrolo[2,3-d] ...","","C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)C(=O)NN=C2N)I","SFEJDVWRGQKIIY-UHFFFAOYSA-N","365913",NA,"PDBC23465","634035","Present"
-"4-Amino-3-methyl-2,6-diphenylpiperidine-4-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC355147","","CC1C(NC(CC1(C#N)N)C2=CC=CC=C2)C3=CC=CC=C3","HUSDDKCTLLCYKF-UHFFFAOYSA-N","434709",NA,"PDBC23466","355147","Present"
-"4-Amino-3-pentadecylphenol","","","","","","","","","","","","","","","","","","","","4-AMINO-3-PENTADECYLPHENOL","","CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)N","JEAQATRYHARRAU-UHFFFAOYSA-N","219123",NA,"PDBC23467","17","Present"
-"4-Amino-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","AC-907/34126047","","C1=CC=C(C=C1)C2=NNC(=O)N2N","OVCWQZAMXXYERB-UHFFFAOYSA-N","384494",NA,"PDBC23468","674327","Present"
-"4-Amino-3-phenyl-5[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidinehydrazinocarbonyl]thiazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","4-amino-3-phenyl-5[(1-phenyl-3,5-dimethylpyrazol-4- yl)m...","","CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=C(N(C(=S)S3)C4=CC=CC=C4)N","RDIMAXBLZJLZKT-ZMOGYAJESA-N","9572519",NA,"PDBC23469","720054","Present"
-"4-Amino-4-(2-carboxyethyl)heptanedioic acid","","","","","","","","","","","","","","","","","","","","AC-13310","","C(CC(CCC(=O)O)(CCC(=O)O)N)C(=O)O","UOPIUZMVWLTGPP-UHFFFAOYSA-N","387081",NA,"PDBC23470","680472","Present"
-"4-Amino-4-ethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione","","","","","","","","","","","","","","","","","","","","20-amino-20-deoxy-20(rs)-camptothecin///NSC682298","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)N","QRIADWXXXCEJCX-UHFFFAOYSA-N","496212",NA,"PDBC23471","619230///682298","Present"
-"4-Amino-4-oxo-2-(p-tolylsulfonylcarbamoylamino)butanoic acid","","","","","","","","","","","","","","","","","","","","4-Amino-4-oxo-2-(p-tolylsulfonylcarbamoylamino)butanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC(=O)N)C(=O)O","KHIAJJQTBUGJPU-UHFFFAOYSA-N","396488",NA,"PDBC23472","702672","Present"
-"4-Amino-5-((1-methyl-2-oxo-2-((phosphonomethyl)amino)ethyl)amino)-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","4-Amino-5-((1-methyl-2-oxo-2-((phosphonomethyl)amino)ethyl)amino)-5-oxopentanoic acid","","CC(C(=O)NCP(=O)(O)O)NC(=O)C(CCC(=O)O)N","NZMQLBRLLTWUTM-UHFFFAOYSA-N","382718",NA,"PDBC23473","670389","Present"
-"4-Amino-5-(1H-benzimidazol-2-yl)-3-(2-methylphenyl)-1,3-thiazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","4-Amino-5-(1H-benzimidazol-2-yl)-3-(2-methylphenyl)-1,3-thiazole-2(3H)-thione","","CC1=CC=CC=C1N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N","CPVADMYHLJQWKK-UHFFFAOYSA-N","365507",NA,"PDBC23474","633187","Present"
-"4-Amino-5-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)-1,3-thiazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","4-Amino-5-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)-1,3-thiazole-2(3H)-thione","","CC1=CC(=CC=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N","HPUFDXLCXITGKG-UHFFFAOYSA-N","365508",NA,"PDBC23475","633188","Present"
-"4-Amino-5-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1,3-thiazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","4-Amino-5-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1,3-thiazole-2(3H)-thione","","C1=CC=C2C(=C1)NC(=N2)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)N","IGIAYWXMEXEKNP-UHFFFAOYSA-N","365509",NA,"PDBC23476","633189","Present"
-"4-Amino-5-(2,2-dimethoxyethyl)-5-methoxyfuran-2(5H)-one","","","","","","","","","","","","","","","","","","","","2(5H)-Furanone, 4-amino-5-(2,2-dimethoxyethyl)-5-methoxy","","COC(CC1(C(=CC(=O)O1)N)OC)OC","ZBUCOFQPCDVMQQ-UHFFFAOYSA-N","364043",NA,"PDBC23477","629660","Present"
-"4-Amino-5-(4-acetylphenylazo)benzofurazan","","","","","","","","","","","","","","","","","","","","XECKKTGERQNONH-WUKNDPDISA-N","","CC(=O)C1=CC=C(C=C1)N=NC2=C(C3=NON=C3C=C2)N","XECKKTGERQNONH-UHFFFAOYSA-N","379411",NA,"PDBC23478","663953","Present"
-"4-Amino-5-(4-chlorobenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-5-(4-chlorobenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide","","CC1=CC(=NC=C1)NC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4","WALAVOXUXQSYGI-UHFFFAOYSA-N","5472772",NA,"PDBC23479","721527","Present"
-"4-Amino-5-(4-chlorobenzoyl)-2-[(5-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-5-(4-chlorobenzoyl)-2-[(5-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide","","CC1=CN=C(C=C1)NC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4","KQOHRYQXDHGLLM-UHFFFAOYSA-N","5472785",NA,"PDBC23480","721540","Present"
-"4-Amino-5-(4-methoxybenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-5-(4-methoxybenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide","","CC1=CC(=NC=C1)NC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)OC)N)C(=S)NC4=CC=CC=C4","BOXSHDDFTYTPOV-UHFFFAOYSA-N","5472788",NA,"PDBC23481","721543","Present"
-"4-Amino-5-(4-methylbenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-5-(4-methylbenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide","","CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=NC=CC(=C3)C)C(=S)NC4=CC=CC=C4)N","VMSRCNSERRPWGW-UHFFFAOYSA-N","5472822",NA,"PDBC23482","721859","Present"
-"4-Amino-5-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-chloro-2-methylanilino)thiophene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-5-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-chloro-2-methylanilino)thiophene-3-carbonitrile","","CC1=C(C=CC(=C1)Cl)NC2=C(C(=C(S2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl)N)C#N","NQDRSEQLRQZOHD-UHFFFAOYSA-N","328931",NA,"PDBC23483","309895","Present"
-"4-Amino-5-[(4-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","4-Amino-5-[(4-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-one","","CN1C(=O)N(C(=N1)CC2=CC=C(C=C2)Cl)N","LYHUILQYQFWADG-UHFFFAOYSA-N","386447",NA,"PDBC23484","678476","Present"
-"4-Amino-5-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","4-Amino-5-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]-5-oxopentanoic acid","","C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)C(=O)C(CCC(=O)O)N","IKUDHLLUPGPPML-UHFFFAOYSA-N","403196",NA,"PDBC23485","717850","Present"
-"4-Amino-5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","NSC678527///NSC678529","","C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CCC(=O)O)N)N(CCCl)CCCl.C(=O)(C(F)(F)F)O","QTSNVVPNRJLQQB-UHFFFAOYSA-N","386486",NA,"PDBC23486","678527///678529","Present"
-"4-Amino-5-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","NSC694764///NSC694766","","COC1=NC(=C(C(=O)N1)NC2C(C(C(O2)CO)O)O)N","KWNLCXYORSLHIP-UHFFFAOYSA-N","135416145",NA,"PDBC23487","694764///694766","Present"
-"4-Amino-5-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methylsulfanyl-1H-pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","4-Amino-5-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methylsulfanyl-1H-pyrimidin-6-one///NSC694767","","CSC1=NC(=C(C(=O)N1)NC2C(C(C(O2)CO)O)O)N","DYJHKYXQMNRKKJ-UHFFFAOYSA-N","135452702",NA,"PDBC23488","694765///694767","Present"
-"4-Amino-5-benzoyl-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-5-benzoyl-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide","","C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC=CC=C3)N)C(=S)NC4=CC=CC=C4","DCSUASFGTWSDJR-UHFFFAOYSA-N","5472824",NA,"PDBC23489","721861","Present"
-"4-Amino-5-benzoyl-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-5-benzoyl-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide","","CC(C)NC1=C(C(=C(N1)C(=O)C2=CC=CC=C2)N)C(=S)NC3=CC=CC=C3","IVVVSWSRAQMINC-UHFFFAOYSA-N","5472826",NA,"PDBC23490","721875","Present"
-"4-Amino-5-benzoyl-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Amino-5-benzoyl-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide","","CCCNC1=C(C(=C(N1)C(=O)C2=CC=CC=C2)N)C(=S)NC3=CC=CC=C3","NGIGQDZTCRINKD-UHFFFAOYSA-N","5472825",NA,"PDBC23491","721874","Present"
-"4-Amino-5-cyano-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Amino-5-cyano-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid","","C1=CC(=CC(=C1)N2C(=O)C(=C(C(=N2)C(=O)O)N)C#N)C(F)(F)F","MUEXYIPTRVIPKV-UHFFFAOYSA-N","361081",NA,"PDBC23492","623886","Present"
-"4-Amino-5-fluoro-1-[5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-5-fluoro-1-[5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidin-2-one","","COC1CC(OC1CO)N2C=C(C(=NC2=O)N)F","BYUZUDWHOBVDJH-UHFFFAOYSA-N","356524",NA,"PDBC23493","612788","Present"
-"4-Amino-5-hydroxy-3-[(Z)-[4-[4-[(Z)-(2-hydroxy-6,8-disulfo-1-naphthyl)azo]phenyl]phenyl]azo]-6-[(E)-phenylazo]naphthalene-2,7-disulfonic acid","","","","","","","","","","","","","","","","","","","","2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[[4'...","","C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=CC7=CC(=CC(=C76)S(=O)(=O)O)S(=O)(=O)O)O)N)O","NGXZQFXXAIWYDJ-UHFFFAOYSA-N","135479135",NA,"PDBC23494","79741","Present"
-"4-Amino-5-nitro-9H-fluoren-9-one","","","","","","","","","","","","","","","","","","","","4-Amino-5-nitro-9H-fluoren-9-one","","C1=CC2=C(C(=C1)N)C3=C(C2=O)C=CC=C3[N+](=O)[O-]","BKGQKTNQMGETSA-UHFFFAOYSA-N","5144559",NA,"PDBC23495","625171","Present"
-"4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2-thiol","","","","","","","","","","","","","","","","","","","","4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2-thiol","","C1CCC2=NC3=NC(=S)NC(=C3C(=C2C1)C4=CC=CC=C4)N","KOIUJRZOOZNDRQ-UHFFFAOYSA-N","5465894",NA,"PDBC23496","667075","Present"
-"4-Amino-6,7-bis(4-chlorophenyl)-1H-pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxide","","","","","","","","","","","","","","","","","","","","4-Amino-6,7-bis(4-chlorophenyl)-1H-pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxide","","C1=CC(=CC=C1C2=C(N=C3C(=N2)C(=NS(=O)(=O)N3)N)C4=CC=C(C=C4)Cl)Cl","ZBLVPVWVJAMVFY-UHFFFAOYSA-N","135439985",NA,"PDBC23497","633672","Present"
-"4-Amino-6,7-bis(4-methoxyphenyl)-1H-pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxide","","","","","","","","","","","","","","","","","","","","6,7-Bis(4-methoxyphenyl)-2,2-dioxo-1H-pyrazino[2,3-c][1,2,6]thiadiazin-4-amine","","COC1=CC=C(C=C1)C2=C(N=C3C(=N2)C(=NS(=O)(=O)N3)N)C4=CC=C(C=C4)OC","GMZFGCVLUBLQDQ-UHFFFAOYSA-N","135439986",NA,"PDBC23498","633673","Present"
-"4-Amino-6,7-difluoro-3-cinnolinecarboxamide","","","","","","","","","","","","","","","","","","","","4-Amino-6,7-difluoro-3-cinnolinecarboxamide","","C1=C2C(=CC(=C1F)F)N=NC(=C2N)C(=O)N","BGPGOGLEZQUOCF-UHFFFAOYSA-N","495816",NA,"PDBC23499","669308","Present"
-"4-Amino-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","4-amino-6,7-dihydro-5H -cyclopenta[b]pyridin-2-yl-4-meth...","","CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(CCC3)C(=C2)N","WEDJTHOBXWJYEJ-UHFFFAOYSA-N","220689",NA,"PDBC23500","3753","Present"
-"4-Amino-6,7-dimethyl-1,3-dioxo-2-(2-(1-piperazinyl)ethyl)-5-isoindolinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-6,7-dimethyl-1,3-dioxo-2-(2-(1-piperazinyl)ethyl)-5-isoindolinecarbonitrile","","CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)CCN3CCNCC3)C","QAAQISIXWJQVCG-UHFFFAOYSA-N","393958",NA,"PDBC23501","697030","Present"
-"4-Amino-6,7-dimethyl-1,3-dioxo-2-phenethyl-isoindoline-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-6,7-dimethyl-1,3-dioxo-2-phenethyl-isoindoline-5-carbonitrile","","CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)CCC3=CC=CC=C3)C","NCVWDGCRPVFWLS-UHFFFAOYSA-N","393959",NA,"PDBC23502","697031","Present"
-"4-Amino-6,7-dimethyl-2-(methylamino)-1,3-dioxo-5-isoindolinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-6,7-dimethyl-2-(methylamino)-1,3-dioxo-5-isoindolinecarbonitrile","","CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)NC)C","CYIAXLJZZRYZSK-UHFFFAOYSA-N","393964",NA,"PDBC23503","697036","Present"
-"4-Amino-6,7-dimethyl-3-cinnolinecarboxamide","","","","","","","","","","","","","","","","","","","","4-Amino-6,7-dimethyl-3-cinnolinecarboxamide","","CC1=CC2=C(C=C1C)N=NC(=C2N)C(=O)N","KXPCUIXOCXAWNH-UHFFFAOYSA-N","495814",NA,"PDBC23504","669305","Present"
-"4-Amino-6-(3,4-dimethoxyphenyl)-14-fluoro-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-6-(3,4-dimethoxyphenyl)-14-fluoro-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-5-carbonitrile","","COC1=C(C=C(C=C1)C2=C3CCCC4=C(C3=NC(=C2C#N)N)C=C(C=C4)F)OC","UFVOGEFUBGJSIA-UHFFFAOYSA-N","24202986",NA,"PDBC23505","726432","Present"
-"4-Amino-6-(4-chlorophenyl)-14-nitro-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-6-(4-chlorophenyl)-14-nitro-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile","","C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl","WURHFSXAVRLWIS-UHFFFAOYSA-N","401106",NA,"PDBC23506","714000","Present"
-"4-Amino-6-(4-nitrophenyl)-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),4,11,13-pentaene-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-6-(4-nitrophenyl)-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),4,11,13-pentaene-5-carbonitrile","","C1CC2=CC=CC=C2C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)[N+](=O)[O-]","HPGKMOIISNROJG-UHFFFAOYSA-N","403237",NA,"PDBC23507","717896","Present"
-"4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one","","","","","","","","","","","","","","","","","","","","4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one","","C1=CC=C2C(=C1)C=CC(=C2C=CC3=NNC(=S)N(C3=O)N)O","DXFSCJHGJMKRMY-VOTSOKGWSA-N","135436158",NA,"PDBC23508","710590","Present"
-"4-Amino-6-anilino-1,2-dihydro-2-phenyl-s-triazine","","","","","","","","","","","","","","","","","","","","4-Amino-6-anilino-1,2-dihydro-2-phenyl-s-triazine","","C1=CC=C(C=C1)C2N=C(NC(=N2)NC3=CC=CC=C3)N","NKJHASFCPTYAIR-UHFFFAOYSA-N","220400",NA,"PDBC23509","3076","Present"
-"4-Amino-6-benzylmercapto pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-Amino-6-benzylmercapto pyrazolo[3,4-d]pyrimidine","","C1=CC=C(C=C1)CSC2=NC(=C3C=NNC3=N2)N","BBRITVBMRNJTFL-UHFFFAOYSA-N","406680",NA,"PDBC23510","724945","Present"
-"4-Amino-6-benzyloxypyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-Amino-6-benzyloxypyrazolo[3,4-d]pyrimidine","","C1=CC=C(C=C1)COC2=NC(=C3C=NNC3=N2)N","RRGFUPPGEPWJKT-UHFFFAOYSA-N","406693",NA,"PDBC23511","724958","Present"
-"4-Amino-6-butylmercaptopyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-Amino-6-butylmercaptopyrazolo[3,4-d]pyrimidine","","CCCCSC1=NC(=C2C=NNC2=N1)N","SNIIDNJBWCCGRA-UHFFFAOYSA-N","406685",NA,"PDBC23512","724950","Present"
-"4-Amino-6-ethyl-5-(3-nitro-4-piperidin-1-ylphenyl)-1H-pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-Amino-6-ethyl-5-(3-nitro-4-piperidin-1-ylphenyl)-1H-pyrimidin-2-one","","CCC1=C(C(=NC(=O)N1)N)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]","RNZAXCFXIMBPEO-UHFFFAOYSA-N","341274",NA,"PDBC23513","372956","Present"
-"4-Amino-6-ethylmercapto purazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-Amino-6-ethylmercapto purazolo[3,4-d]pyrimidine","","CCSC1=NC(=C2C=NNC2=N1)N","GQFOSQPCFXXWRM-UHFFFAOYSA-N","406689",NA,"PDBC23514","724954","Present"
-"4-Amino-6-ethylthio-1-methylpyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-Amino-6-ethylthio-1-methylpyrazolo[3,4-d]pyrimidine","","CCSC1=NC(=C2C=NN(C2=N1)C)N.I","UNNVJZKWFWLRQC-UHFFFAOYSA-N","405580",NA,"PDBC23515","722948","Present"
-"4-Amino-6-fluorocinnoline-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-Amino-6-fluoro-3-cinnolinecarboxamide","","C1=CC2=C(C=C1F)C(=C(N=N2)C(=O)N)N","QJXYSXQDQFLLHP-UHFFFAOYSA-N","495815",NA,"PDBC23516","669306","Present"
-"4-Amino-6-hydrazinyl-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-6-hy...","","C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C#N)N","LYPULEQVVXPJJR-UHFFFAOYSA-N","299517",NA,"PDBC23517","172599","Present"
-"4-Amino-6-methoxy-2,4-dimethyl-tetrahydropyran-3-ol","","","","","","","","","","","","","","","","","","","","4-Amino-6-methoxy-2,4-dimethyl-tetrahydropyran-3-ol","","CC1C(C(CC(O1)OC)(C)N)O","DXQZAKXNQNBYTD-UHFFFAOYSA-N","384389",NA,"PDBC23518","674112","Present"
-"4-Amino-6-methoxy-2-methyl-4-phenyl-tetrahydropyran-3-ol","","","","","","","","","","","","","","","","","","","","4-Amino-6-methoxy-2-methyl-4-phenyl-tetrahydropyran-3-ol","","CC1C(C(CC(O1)OC)(C2=CC=CC=C2)N)O","DQNLQXWJZHQNCA-UHFFFAOYSA-N","384391",NA,"PDBC23519","674114","Present"
-"4-Amino-6-methoxy-2-methyl-4-propyl-tetrahydropyran-3-ol","","","","","","","","","","","","","","","","","","","","4-Amino-6-methoxy-2-methyl-4-propyl-tetrahydropyran-3-ol","","CCCC1(CC(OC(C1O)C)OC)N","ISURZKXDHYVLDF-UHFFFAOYSA-N","384390",NA,"PDBC23520","674113","Present"
-"4-Amino-6-methoxy-2-methyloxan-3-ol","","","","","","","","","","","","","","","","","","","","NSC110345","","CC1C(C(CC(O1)OC)N)O","UIWJWFKPPXKEJV-UHFFFAOYSA-N","269375",NA,"PDBC23521","110345","Present"
-"4-Amino-6-methyl-2-(4-morpholinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one","","","","","","","","","","","","","","","","","","","","4-Amino-6-methyl-2-(4-morpholinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one","","CC1CC2=C(N=C(N=C2NC1=O)N3CCOCC3)N","GMWUTXNNYNMJSR-UHFFFAOYSA-N","362168",NA,"PDBC23522","625746","Present"
-"4-Amino-6H-pyrido[2,3,4-kl]acridine-6-one","","","","","","","","","","","","","","","","","","","","4-Amino-6H-pyrido[2,3,4-kl]acridine-6-one","","C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)N","PIBOVIRTUIQUCT-UHFFFAOYSA-N","10944751",NA,"PDBC23523","706992","Present"
-"4-Amino-7(4'-hydroxy-phenyl)-5-(4","","","","","","","","","","","","","","","","","","","","4-Amino-7(4'-hydroxy-phenyl)-5-(4","","COC1=CC=C(C=C1)C2=CC(=NC3=NC(=S)NC(=C23)N)C4=CC=C(C=C4)O","RELNNYPVGUQPGT-UHFFFAOYSA-N","135580405",NA,"PDBC23524","734135","Present"
-"4-Amino-7(4'-methyl-phenyl)-5-(4","","","","","","","","","","","","","","","","","","","","4-Amino-7(4'-methyl-phenyl)-5-(4","","CC1=CC=C(C=C1)C2=NC3=NC(=S)NC(=C3C(=C2)C4=CC=C(C=C4)OC)N","ORZLHNACIXTCOI-UHFFFAOYSA-N","24205062",NA,"PDBC23525","734137","Present"
-"4-Amino-7-(2,3-d] pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","4-Amino - 7 - (2,5- dichloro-phenyl)-5(4'-methoxy phenyl...","","COC1=CC=C(C=C1)C2=CC(=NC3=NC(=S)NC(=C23)N)C4=C(C=CC(=C4)Cl)Cl","KIBQHFWVYQNMJS-UHFFFAOYSA-N","24204728",NA,"PDBC23526","732563","Present"
-"4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-N'-hydroxy-5-pyrrolo[2,3-d]pyrimidinecarboximidamide","","","","","","","","","","","","","","","","","","","","7h-pyrrolo[2,3-d]pyrimidine-5-carboxamidoxime, 4-amino-7...","","C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=NO)N","UJSNJRHHJZOXPZ-UHFFFAOYSA-N","5369182",NA,"PDBC23527","107512","Present"
-"4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile","","CCOC1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N","RLXGZFZDCXKEDV-UHFFFAOYSA-N","324275",NA,"PDBC23528","289117","Present"
-"4-Amino-7-chlorocinnoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","LS-54273","","C1=CC2=C(C=C1Cl)N=NC(=C2N)C(=O)O","BADWGFOQGQMHJZ-UHFFFAOYSA-N","381987",NA,"PDBC23529","669311","Present"
-"4-Amino-7-fluorocinnoline-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-Amino-7-fluoro-3-cinnolinecarboxamide","","C1=CC2=C(C=C1F)N=NC(=C2N)C(=O)N","NAUNPZJPVGALTJ-UHFFFAOYSA-N","381985",NA,"PDBC23530","669307","Present"
-"4-Amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrochloride","","C1=C(C2=C(N=CN=C2N1)N)C(=O)N.Cl","KGIXBIWPBJXGOH-UHFFFAOYSA-N","24191132",NA,"PDBC23531","120050","Present"
-"4-Amino-8-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pteridin-7-one","","","","","","","","","","","","","","","","","","","","7(8H)-Pteridinone, 4-amino-8-(2-deoxypentofuranosyl)-","","C1C(C(OC1N2C(=O)C=NC3=C(N=CN=C32)N)CO)O","AEKBIMYNCBVSQT-UHFFFAOYSA-N","387293",NA,"PDBC23532","680987","Present"
-"4-Amino-8-chloro-2-(4-chlorophenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-8-chloro-2-(4-chlorophenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile","","C1=CC(=CC=C1N=C2C(=C(N3C4=C(C=C(C=C4)Cl)SC3=N2)N)C#N)Cl","DDGMOAQBVIKFSU-UHFFFAOYSA-N","45029233",NA,"PDBC23533","745678","Present"
-"4-Amino-8-chloro-2-(4-methoxyphenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-8-chloro-2-(4-methoxyphenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile","","COC1=CC=C(C=C1)N=C2C(=C(N3C4=C(C=C(C=C4)Cl)SC3=N2)N)C#N","ZVGIPJJSLKLCQY-UHFFFAOYSA-N","45029232",NA,"PDBC23534","745677","Present"
-"4-Amino-8-cyano-6-methyl-7-phenylpyrrolo[2,1-c][1,2,4]triazine-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-Amino-8-cyano-6-methyl-7-phenylpyrrolo[2,1-c][1,2,4]triazine-3-carboxamide","","CC1=C(C(=C2N1C(=C(N=N2)C(=O)N)N)C#N)C3=CC=CC=C3","XRPXVGISUGHLSX-UHFFFAOYSA-N","403961",NA,"PDBC23535","719732","Present"
-"4-Amino-8-fluoro-3-cinnolinecarboxamide","","","","","","","","","","","","","","","","","","","","4-Amino-8-fluoro-3-cinnolinecarboxamide","","C1=CC2=C(C(=NN=C2C(=C1)F)C(=O)N)N","VNANNRHUYOTKCV-UHFFFAOYSA-N","381986",NA,"PDBC23536","669309","Present"
-"4-Amino-N'-(4-chlorobenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide","","","","","","","","","","","","","","","","","","","","4-Amino-N'-(4-chlorobenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide","","C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NN=CC3=CC=C(C=C3)Cl)N","VFJOXPGYHJYBEL-KEBDBYFISA-N","9571394",NA,"PDBC23537","652026","Present"
-"4-Amino-N'-(4-methoxybenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide","","","","","","","","","","","","","","","","","","","","4-Amino-N'-(4-methoxybenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide","","COC1=CC=C(C=C1)C=NNC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N","BAXOWMDQYOVWPU-RGVLZGJSSA-N","9571393",NA,"PDBC23538","652025","Present"
-"4-Amino-N'-benzylidene-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide","","","","","","","","","","","","","","","","","","","","4-Amino-N'-benzylidene-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide","","C1=CC=C(C=C1)C=NNC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N","RYVNVHBCCXWZPT-YBFXNURJSA-N","9571392",NA,"PDBC23539","652024","Present"
-"4-Amino-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide","","C1=CC(=CC=C1N)S(=O)(=O)NCC2=NC=CS2","HCOWLDHROCIEDD-UHFFFAOYSA-N","270385",NA,"PDBC23540","112789","Present"
-"4-Amino-N-(1-(1H-benzimidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(1-(1H-benzimidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)N","VVLMOCPBCDHIQY-MOSHPQCFSA-N","5387525",NA,"PDBC23541","624428","Present"
-"4-Amino-N-(1-(6-hydroxy-2-mercapto-9H-purin-8-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","Benzamide, 4-amino-N-[2-(3-nitrophenyl)-1- (2-thio-6-hyd...","","C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C2=NC3=C(N2)C(=O)NC(=S)N3)NC(=O)C4=CC=C(C=C4)N","KGOUFUXEYDIKOB-ZROIWOOFSA-N","11979426",NA,"PDBC23542","624420","Present"
-"4-Amino-N-(2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)vinyl)benzamide","","C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)N","SKQMTVAPBZOAHA-WQRHYEAKSA-N","5387532",NA,"PDBC23543","624436","Present"
-"4-Amino-N-(2-(1,3-benzodioxol-5-yl)-1-(6,11-dioxo-6,11-dihydro-1H-anthra[1,2-d]imidazol-2-yl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide","","C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=C(N3)C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)NC(=O)C7=CC=C(C=C7)N","SBWPVXKDOABSES-QRVIBDJDSA-N","135429947",NA,"PDBC23544","624417","Present"
-"4-Amino-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide","","COC1=C(C(=CC(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Br)O","PKBYULAWXQAMBX-UHFFFAOYSA-N","374175",NA,"PDBC23545","651651","Present"
-"4-Amino-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide","","C1=CC(=CC=C1C(=O)NN2C(C(C2=O)Cl)C3=C(C=CC(=C3)Br)O)N","VMFGZUZQTNQQCO-UHFFFAOYSA-N","374176",NA,"PDBC23546","651652","Present"
-"4-Amino-N-(2-aminoethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(2-aminoethyl)benzenesulfonamide","","C1=CC(=CC=C1N)S(=O)(=O)NCCN","NBFKPKDIBNOBEP-UHFFFAOYSA-N","238037",NA,"PDBC23547","42167","Present"
-"4-Amino-N-(3-(1-piperidinyl)-2-quinoxalinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-(1-piperidinyl)-2-quinoxalinyl)benzenesulfonamide","","C1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N","PISYDPWKEWIDJD-UHFFFAOYSA-N","389571",NA,"PDBC23548","685878","Present"
-"4-Amino-N-(3-chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)benzamide","","C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Cl","UREJEGPGLHQRMX-UHFFFAOYSA-N","374178",NA,"PDBC23549","651654","Present"
-"4-Amino-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide","","COC1=C(C=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)OC","UVDDRVGAYVQLGT-UHFFFAOYSA-N","374174",NA,"PDBC23550","651650","Present"
-"4-Amino-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","C1=CC(=CC=C1C(=O)NN2C(C(C2=O)Cl)C3=C(C(=CC(=C3)Br)Br)O)N","UJYUMVVFXITEMN-UHFFFAOYSA-N","374177",NA,"PDBC23551","651653","Present"
-"4-Amino-N-(3-chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide","","C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl","GQALNQDYFMCIPQ-UHFFFAOYSA-N","374169",NA,"PDBC23552","651644","Present"
-"4-Amino-N-(3-chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","C1=CC(=CC(=C1)O)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl","DLROLMYUVONQJA-UHFFFAOYSA-N","374167",NA,"PDBC23553","651642","Present"
-"4-Amino-N-(3-chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide","","C1=CC(=CC=C1C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)[N+](=O)[O-]","DDCJOPUYZCIDQZ-UHFFFAOYSA-N","374170",NA,"PDBC23554","651645","Present"
-"4-Amino-N-(3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide","","COC1=C(C=CC(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)O","XIBPBOMGNOFFTM-UHFFFAOYSA-N","374173",NA,"PDBC23555","651649","Present"
-"4-Amino-N-(3-chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide","","C1=CC(=CC=C1C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)O","OOUGTKSANBNTKO-UHFFFAOYSA-N","374168",NA,"PDBC23556","651643","Present"
-"4-Amino-N-(3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide","","COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl","ZUEVSQKEARMLSV-UHFFFAOYSA-N","374171",NA,"PDBC23557","651647","Present"
-"4-Amino-N-(3-chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)benzamide","","CC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl","YNXDEKKYOCGUHL-UHFFFAOYSA-N","374172",NA,"PDBC23558","651648","Present"
-"4-Amino-N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)benzamide","","C1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl","XMGMSRWEFFJJLL-UHFFFAOYSA-N","374165",NA,"PDBC23559","651640","Present"
-"4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide","","","","","","","","","","","","","","","","","","","","1,2,5-Oxadiazole-3-carboximidamide, 4-amino-N'-(3-chloro...","","C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Cl)F","HGXSLPIXNPASGZ-UHFFFAOYSA-N","135424953",NA,"PDBC23560","785571","Present"
-"4-Amino-N-(4-(2-furyl)-1-(6-hydroxy-2-mercapto-9H-purin-8-yl)-1,3-butadienyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(4-(2-furyl)-1-(6-hydroxy-2-mercapto-9H-purin-8-yl)-1,3-butadienyl)benzamide","","C1=COC(=C1)C=CC=C(C2=NC3=C(N2)C(=O)NC(=S)N3)NC(=O)C4=CC=C(C=C4)N","SVCRUGRZWNDZEA-NQDFZQDQSA-N","5387531",NA,"PDBC23561","624435","Present"
-"4-Amino-N-(4-methyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(4-methyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzenesulfonamide","","CC1=NN2C3=C(C=NC2=C1)C(=O)N(C=C3)NS(=O)(=O)C4=CC=C(C=C4)N","WHUMCVMRUKVWCB-UHFFFAOYSA-N","394669",NA,"PDBC23562","698271","Present"
-"4-Amino-N-(4-tert-butylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Sulfanilanilide, 4'-tert-butyl-","","CC(C)(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N","QBRHVORBTKVOQZ-UHFFFAOYSA-N","222114",NA,"PDBC23563","7436","Present"
-"4-Amino-N-(pyridin-4-yl)butanamide","","","","","","","","","","","","","","","","","","","","STL245041","","C1=CN=CC=C1NC(=O)CCCN","IDEFTWXZLWVDQB-UHFFFAOYSA-N","10443277",NA,"PDBC23564","737703","Present"
-"4-Amino-N-[(1,2-diethylpyrazolidin-3-yl)methyl]benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-[(1,2-diethylpyrazolidin-3-yl)methyl]benzamide","","CCN1CCC(N1CC)CNC(=O)C2=CC=C(C=C2)N","BRJCJAHDMGYUCT-UHFFFAOYSA-N","389009",NA,"PDBC23565","684447","Present"
-"4-Amino-N-[(3R)-3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-[(3R)-3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide","","C1=CC(=CC=C1C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Cl","YKDWSLZKAPVLDU-KWCCSABGSA-N","405724",NA,"PDBC23566","723266","Present"
-"4-Amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide","","CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)N","JAQRIPUFGAWHIU-KRWDZBQOSA-N","391374",NA,"PDBC23567","690431","Present"
-"4-Amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide;hydrochloride","","CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)N.Cl","ARPJMOGZCIRPAX-LMOVPXPDSA-N","391583",NA,"PDBC23568","691038","Present"
-"4-Amino-N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide","","CC(=NNC(=O)C1=C(N(C(=S)S1)C)N)C2=CC3=CC=CC=C3O2","AQSZUMCWAYOGAN-CAOOACKPSA-N","45028456",NA,"PDBC23569","742900","Present"
-"4-Amino-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-propyl-2-sulfanylidene-1,3-thiazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-propyl-2-sulfanylidene-1,3-thiazole-5-carboxamide","","CCCN1C(=C(SC1=S)C(=O)NN=C(C)C2=CC3=C(O2)C(=CC=C3)OC)N","WLBLORPICZSZOI-JMIUGGIZSA-N","45028462",NA,"PDBC23570","742906","Present"
-"4-Amino-N-[2-(dimethylamino)ethyl]benzene-1-sulfonamide","","","","","","","","","","","","","","","","","","","","N-[2-(N',N'-Dimethylamino)ethyl]4-aminobenzenesulfonamide","","CN(C)CCNS(=O)(=O)C1=CC=C(C=C1)N","HERALKCUSVEQOM-UHFFFAOYSA-N","203438",NA,"PDBC23571","688990","Present"
-"4-Amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide","","C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N","QXSSXKUBUFTBPN-UHFFFAOYSA-N","389572",NA,"PDBC23572","685879","Present"
-"4-Amino-N-[4,5-dichloro-2-[2-[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-2-oxoethyl]phenyl]butanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Amino-N-[4,5-dichloro-2-[2-[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-2-oxoethyl]phenyl]butanamide;hydrochloride","","CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3NC(=O)CCCN)Cl)Cl.Cl","IVCWMBMLXCGEDQ-GUTACTQSSA-N","54611532",NA,"PDBC23573","707452","Present"
-"4-Amino-N-hydroxy-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","7H-Pyrrolo[2,3-d]pyrimidine-5-carbohydroximic acid, 4-am...","","C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)NO.Cl","YZCAFRFEHKZTQT-UHFFFAOYSA-N","54603433",NA,"PDBC23574","116282","Present"
-"4-Amino-n-(3-methylquinoxalin-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3-methylquinoxalin-2-yl)benzenesulfonamide","","CC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)N","FSJDVWOGYWNVEU-UHFFFAOYSA-N","224574",NA,"PDBC23575","13156","Present"
-"4-Aminoazobenzene","","","","","","","","","","","","","","","","","","","","induline r","","C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N","QPQKUYVSJWQSDY-UHFFFAOYSA-N","6051",NA,"PDBC23576","2032","Present"
-"4-Aminobenzoic acid","","","","","","","","","","","","","","","","","","","","paba","","C1=CC(=CC=C1C(=O)O)N","ALYNCZNDIQEVRV-UHFFFAOYSA-N","978",NA,"PDBC23577","7627","Present"
-"4-Aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid","","","","","","","","","","","","","","","","","","","","4-Aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid","","C1=CC(=CC=C1C(=O)O)N.C1=NC2=NC(=NC(=C2N1)N)N.OS(=O)(=O)O","UORYDOUKEGCWSE-UHFFFAOYSA-N","3246385",NA,"PDBC23578","109188","Present"
-"4-Aminocinnoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","NE42197","","C1=CC=C2C(=C1)C(=C(N=N2)C#N)N","KHULBBOZCOBYHE-UHFFFAOYSA-N","395917",NA,"PDBC23579","701012","Present"
-"4-Aminonaphthalene-2,6-disulphonic acid","","","","","","","","","","","","","","","","","","","","1-Naphthylamine-3,7-disulfonic acid","","C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)N)S(=O)(=O)O","XGQWHHCZIMXNHG-UHFFFAOYSA-N","80709",NA,"PDBC23580","37049","Present"
-"4-Aminopteroylaspartic acid","","","","","","","","","","","","","","","","","","","","Aminoanfol","","C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N","ODLOSKQDGGOAJH-UHFFFAOYSA-N","46855",NA,"PDBC23581","98535","Present"
-"4-Aminosulphonyl-1-hydroxy-2-naphthoic acid","","","","","","","","","","","","","","","","","","","","2-Naphthalenecarboxylic acid, 4-(aminosulfonyl)-1-hydrox...","","C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)S(=O)(=O)N","OTDVKOVLSPJORY-UHFFFAOYSA-N","97423",NA,"PDBC23582","122281","Present"
-"4-Aminotricyclo[4.3.0.03,7]nonan-2-one;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC666424","","C1CC2C3C1C(C2=O)C(C3)N.Cl","KVRITZREICXUDN-UHFFFAOYSA-N","380717",NA,"PDBC23583","666424","Present"
-"4-Aminoxanthotoxin","","","","","","","","","","","","","","","","","","","","4-Aminoxanthotoxin","","COC1=C2C(=C(C3=C1OC=C3)N)C=CC(=O)O2","MONZOXMQHOAEQD-UHFFFAOYSA-N","344253",NA,"PDBC23584","401057","Present"
-"4-Androsteno[3,17-beta-diol","","","","","","","","","","","","","","","","","","","","4-Androsteno[3,2-c]-isoxazole-4,17-.beta.-diol","","CC12CCC3C(C1CCC2O)CCC4=C(C5=NOC=C5CC34C)O","YOGRZKPYNPSDSH-SSPHLBEYSA-N","364574",NA,"PDBC23585","631061","Present"
-"4-Anilino-1-benzyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","4-Anilino-1-benzyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","C1=CC=C(C=C1)CN2C3=C(C(=NNC3=O)NC4=CC=CC=C4)N=N2","NALZIEJKBSGTGH-UHFFFAOYSA-N","386994",NA,"PDBC23586","680304","Present"
-"4-Anilino-1-cyclohexyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","","","","","","","","","","","","","","","","","","","4-Anilino-1-cyclohexyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol","","C1CCC(CC1)N2C3=C(C(=NNC3=O)NC4=CC=CC=C4)N=N2","HRLZIHDDSMLPGE-UHFFFAOYSA-N","386618",NA,"PDBC23587","679072","Present"
-"4-Anilino-1-phenyl-5-(phenylimino)-1,5-dihydro-2H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","4-Anilino-1-phenyl-5-(phenylimino)-1,5-dihydro-2H-imidazol-2-one","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=O)N2)C4=CC=CC=C4","GVOSDWFMUICKEL-UHFFFAOYSA-N","135409233",NA,"PDBC23588","671376","Present"
-"4-Anilino-2,2-dimethyl-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-Anilino-2,2-dimethyl-4-oxobutanoic acid","","CC(C)(CC(=O)NC1=CC=CC=C1)C(=O)O","HEOAVFYVUJGKOR-UHFFFAOYSA-N","264241",NA,"PDBC23589","99241","Present"
-"4-Anilino-2,3-dichloro-4-oxo-2-butenoic acid","","","","","","","","","","","","","","","","","","","","(E)-4-anilino-2,3-dichloro-4-oxo-but-2-enoic acid","","C1=CC=C(C=C1)NC(=O)C(=C(C(=O)O)Cl)Cl","BPYURHRYYZFMLE-BQYQJAHWSA-N","3005842",NA,"PDBC23590","622339","Present"
-"4-Anilino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Anilino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","ONRSBKQVLSNETP-UHFFFAOYSA-N","390055",NA,"PDBC23591","686969","Present"
-"4-Anilino-3-benzyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Anilino-3-benzyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)CC2=NNC(=O)N2NC3=CC=CC=C3","KAXFASGJWJRXDX-UHFFFAOYSA-N","384784",NA,"PDBC23592","675219","Present"
-"4-Anilino-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Anilino-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1NC2=CC=CC=C2","UKYSDDJUIYHEHO-UHFFFAOYSA-N","384783",NA,"PDBC23593","675218","Present"
-"4-Anilino-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Anilino-3-phenyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2NC3=CC=CC=C3","YYVYJIBWMYCEGR-UHFFFAOYSA-N","385485",NA,"PDBC23594","676721","Present"
-"4-Anilino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol","","","","","","","","","","","","","","","","","","","","4-Anilino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol","","C1CCC2=C(C1)C3=C(NC(=S)N=C3S2)NC4=CC=CC=C4","MLNPIHYNSDGMNI-UHFFFAOYSA-N","2816491",NA,"PDBC23595","679231","Present"
-"4-Anilino-5-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","4-Anilino-5-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","CC1=CC=C(C=C1)CC2=NNC(=O)N2NC3=CC=CC=C3","SBHMHYMACDFEQI-UHFFFAOYSA-N","387263",NA,"PDBC23596","680860","Present"
-"4-Anilino-6-(4-fluorophenyl)-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(4-fluorophenyl)-2-(isobutylthio)-6-(phenylamino)pyrim...","","CC(C)CSC1=NC(=C(C(=N1)NC2=CC=CC=C2)C#N)C3=CC=C(C=C3)F","OZQOWYFPJWCCQP-UHFFFAOYSA-N","155807276",NA,"PDBC23597","795754","Present"
-"4-Aryl-6-Methyl-2-thioxo-1,3,4-tetrahydro-pyrimidine-5-car boxylic acid (3,4-dichloro-phenyl)-amide","","","","","","","","","","","","","","","","","","","","4-Aryl-6-Methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5...","","CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC)C(=O)NC3=CC(=C(C=C3)Cl)Cl","JBWUQPZVHSZQCI-UHFFFAOYSA-N","24203839",NA,"PDBC23598","729775","Present"
-"4-Arylmaleimide deriv. 6-g","","","","","","","","","","","","","","","","","","","","SB-390523","","C1=CC=C(C(=C1)C2=C(C(=O)NC2=O)NC3=CC(=C(C(=C3)Cl)O)Cl)Cl","LLELAEGDEATZFN-UHFFFAOYSA-N","6539482",NA,"PDBC23599","756447","Present"
-"4-Arylmaleimide deriv. 6-l","","","","","","","","","","","","","","","","","","","","SB-358518","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)NC2=O)NC3=CC(=C(C(=C3)Cl)O)Cl","QOJSERWVVHZZPL-UHFFFAOYSA-N","6539487",NA,"PDBC23600","756443","Present"
-"4-Arylmaleimide deriv. 6c","","","","","","","","","","","","","","","","","","","","SB-376719","","COC1=CC=CC=C1C2=C(C(=O)NC2=O)NC3=CC=CC=C3","XCYIIVRZXLZJER-UHFFFAOYSA-N","6539453",NA,"PDBC23601","756446","Present"
-"4-Arylmaleimide deriv. 6cc","","","","","","","","","","","","","","","","","","","","SB-360741","","C1=CC(=CC=C1C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)Cl)C(=O)O)Cl","ACBZAFIQJQQSBY-UHFFFAOYSA-N","6539502",NA,"PDBC23602","756444","Present"
-"4-Arylmaleimide deriv. 6p","","","","","","","","","","","","","","","","","","","","SB-390527","","C1=CC=C(C(=C1)C2=C(C(=O)NC2=O)NC3=CC(=CC=C3)O)Cl","RSOMSYHDLLNJGQ-UHFFFAOYSA-N","6539466",NA,"PDBC23603","756448","Present"
-"4-Arylmaleimide deriv. 8f","","","","","","","","","","","","","","","","","","","","SB-333612","","C1CN(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=C(C=C4)Cl","LSXUOGJVNXPHBN-UHFFFAOYSA-N","6539521",NA,"PDBC23604","756441","Present"
-"4-Arylmaleimide deriv. 8g","","","","","","","","","","","","","","","","","","","","SB-361058","","COC1=CC=C(C=C1)C2=C(C(=O)NC2=O)N3CCC4=CC=CC=C43","OXYHNOHLBLUYKQ-UHFFFAOYSA-N","6539522",NA,"PDBC23605","756445","Present"
-"4-Aza-2'-phenyl-5alpha-cholestano[3,2-c]pyrazole","","","","","","","","","","","","","","","","","","","","4-Aza-2'-phenyl-5.alpha.-cholestano[3,2-c]pyrazole","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)C","NVMSFEPHYDXOFV-IYSHXCQISA-N","363170",NA,"PDBC23606","627771","Present"
-"4-Aza-5alpha-androstano[3,2-c]pyrazol-17. beta.-yl acetate","","","","","","","","","","","","","","","","","","","","4-Aza-5.alpha.-androstano[3,2-c]pyrazol-17. beta.-yl ace...","","CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC5=C(N4)NN=C5)C)C","TXIDYABROZTEFW-AXYCQOOYSA-N","363166",NA,"PDBC23607","627767","Present"
-"4-Aza-5alpha-cholestano[3,2-c]isoxazole","","","","","","","","","","","","","","","","","","","","4-Aza-5.alpha.-cholestano[3,2-c]isoxazole","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=CON=C5N4)C)C","CDSNJPKIZZSWGQ-NMGUKKPCSA-N","363168",NA,"PDBC23608","627769","Present"
-"4-Azaandrost-5-en-3-one, 4-[2-(dimethylamino)ethyl]-17beta-hydroxy-17-methyl-","","","","","","","","","","","","","","","","","","","","4-Azaandrost-5-en-3-one, 4-[2-(dimethylamino)ethyl]-17.b...","","CC12CCC(=O)N(C1=CCC3C2CCC4(C3CCC4(C)O)C)CCN(C)C","TZYDTPVLMWSHME-DFXBJWIESA-N","54599789",NA,"PDBC23609","46480","Present"
-"4-Azido-1,3-diphenyl-quinolin-2-one","","","","","","","","","","","","","","","","","","","","1,3-Diphenyl-4-(2.lambda.~5~-1,2-triazadienyl)-2(1H)-quinolinone","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)N=[N+]=[N-]","KFBKFCAONHQYNA-UHFFFAOYSA-N","375214",NA,"PDBC23610","654612","Present"
-"4-Azido-1-methyl-3-nitroquinolin-2-one","","","","","","","","","","","","","","","","","","","","4'-Azido-3-nitro-1-methyl-2-quinolone","","CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N=[N+]=[N-]","PVHDZPYQHVOXSW-UHFFFAOYSA-N","387473",NA,"PDBC23611","681277","Present"
-"4-Azido-1-methyl-3-phenyl-quinolin-2-one","","","","","","","","","","","","","","","","","","","","4-Azido-1-methyl-3-phenyl-quinolin-2-one","","CN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)N=[N+]=[N-]","JKFJGUPJMUMLGW-UHFFFAOYSA-N","376992",NA,"PDBC23612","658213","Present"
-"4-Azido-1-phenyl-quinolin-2-one","","","","","","","","","","","","","","","","","","","","1-Phenyl-4-(2.lambda.~5~-1,2-triazadienyl)-2(1H)-quinolinone","","C1=CC=C(C=C1)N2C3=CC=CC=C3C(=CC2=O)N=[N+]=[N-]","AIGIJCLAAKANBN-UHFFFAOYSA-N","375226",NA,"PDBC23613","654619","Present"
-"4-Azido-1H-quinolin-2-one","","","","","","","","","","","","","","","","","","","","4-Azido-2-quinolone","","C1=CC=C2C(=C1)C(=CC(=O)N2)N=[N+]=[N-]","BYZRVFGVANYGRC-UHFFFAOYSA-N","2785819",NA,"PDBC23614","681261","Present"
-"4-Azido-2,3-dichloro-quinoline","","","","","","","","","","","","","","","","","","","","4-azido-2,3-dichloro-quinoline","","C1=CC=C2C(=C1)C(=C(C(=N2)Cl)Cl)N=[N+]=[N-]","HZQCTYWBJSFHSM-UHFFFAOYSA-N","381917",NA,"PDBC23615","669169","Present"
-"4-Azido-2-chloro-3-cyanoquinoline","","","","","","","","","","","","","","","","","","","","4-azido-2-chloro-3-cyanoquinoline","","C1=CC=C2C(=C1)C(=C(C(=N2)Cl)C#N)N=[N+]=[N-]","UKMDXJYEEGIRAQ-UHFFFAOYSA-N","381915",NA,"PDBC23616","669167","Present"
-"4-Azido-2-chloro-3-ethoxycarbonyl-quinoline","","","","","","","","","","","","","","","","","","","","4-azido-2-chloro-3-ethoxycarbonyl-quinoline","","CCOC(=O)C1=C(C2=CC=CC=C2N=C1Cl)N=[N+]=[N-]","OTSLPRIBVVIXTM-UHFFFAOYSA-N","381909",NA,"PDBC23617","669164","Present"
-"4-Azido-2-chloro-3-methoxy-quinoline","","","","","","","","","","","","","","","","","","","","4-azido-2-chloro-3-methoxy-quinoline","","COC1=C(C2=CC=CC=C2N=C1Cl)N=[N+]=[N-]","CDBXPLLXFNTSTN-UHFFFAOYSA-N","381898",NA,"PDBC23618","669156","Present"
-"4-Azido-2-chloro-3-morpholino-quinoline","","","","","","","","","","","","","","","","","","","","4-azido-2-chloro-3-morpholino-quinoline","","C1COCCN1C2=C(C3=CC=CC=C3N=C2Cl)N=[N+]=[N-]","FQPHMWRMTQEVKI-UHFFFAOYSA-N","381907",NA,"PDBC23619","669162","Present"
-"4-Azido-2-chloro-3-nitro-quinoline","","","","","","","","","","","","","","","","","","","","4-azido-2-chloro-3-nitro-quinoline","","C1=CC=C2C(=C1)C(=C(C(=N2)Cl)[N+](=O)[O-])N=[N+]=[N-]","JISYBWRSFMWCAG-UHFFFAOYSA-N","381894",NA,"PDBC23620","669154","Present"
-"4-Azido-2-chloro-3-phenyl-quinoline","","","","","","","","","","","","","","","","","","","","4-azido-2-chloro-3-phenyl-quinoline","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=C2Cl)N=[N+]=[N-]","HYVQFVOAQXURAR-UHFFFAOYSA-N","381908",NA,"PDBC23621","669163","Present"
-"4-Azido-3-[(4-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxymethyl]-5-methoxy-tetrahydrofuran","","","","","","","","","","","","","","","","","","","","4-Azido-3-[(4-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxymethyl]-5-methoxy-tetrahydrofuran","","COC1C(C(C(O1)COCC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)Cl)N=[N+]=[N-]","NBKQFQWEPBVLEY-UHFFFAOYSA-N","362354",NA,"PDBC23622","626099","Present"
-"4-Azido-3-benzyl-2-chloro-quinoline","","","","","","","","","","","","","","","","","","","","4-azido-3-benzyl-2-chloro-quinoline","","C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N=C2Cl)N=[N+]=[N-]","VYRPSBGXRZRSBM-UHFFFAOYSA-N","381916",NA,"PDBC23623","669168","Present"
-"4-Azido-3-benzyl-coumarin","","","","","","","","","","","","","","","","","","","","4-azido-3-benzyl-coumarin","","C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)N=[N+]=[N-]","JWAAQFVXTPWWFH-UHFFFAOYSA-N","381886",NA,"PDBC23624","669149","Present"
-"4-Azido-3-chloro-1-methyl-2-quinolone","","","","","","","","","","","","","","","","","","","","4-azido-3-chloro-1-methyl-2-quinolone","","CN1C2=CC=CC=C2C(=C(C1=O)Cl)N=[N+]=[N-]","PAUOMYBFQQFFBE-UHFFFAOYSA-N","381911",NA,"PDBC23625","669165","Present"
-"4-Azido-3-chloro-1-phenyl-2-quinolone","","","","","","","","","","","","","","","","","","","","4-azido-3-chloro-1-phenyl-2-quinolone","","C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)Cl)N=[N+]=[N-]","XTALKEXQASMPFN-UHFFFAOYSA-N","381896",NA,"PDBC23626","669155","Present"
-"4-Azido-3-ethyl-coumarin","","","","","","","","","","","","","","","","","","","","4-Azido-3-ethyl-coumarin","","CCC1=C(C2=CC=CC=C2OC1=O)N=[N+]=[N-]","GZMOATUAOVPJLS-UHFFFAOYSA-N","375216",NA,"PDBC23627","654613","Present"
-"4-Azido-3-formyl-1-phenyl-2-quinolone","","","","","","","","","","","","","","","","","","","","4-azido-3-formyl-1-phenyl-2-quinolone","","C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)C=O)N=[N+]=[N-]","PIFHHBVAVREDMY-UHFFFAOYSA-N","381889",NA,"PDBC23628","669151","Present"
-"4-Azido-3-nitro-1-phenyl-2-quinolone","","","","","","","","","","","","","","","","","","","","4-azido-3-nitro-1-phenyl-2-quinolone","","C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)[N+](=O)[O-])N=[N+]=[N-]","IBNOMQPZAKBNKT-UHFFFAOYSA-N","381913",NA,"PDBC23629","669166","Present"
-"4-Azido-3-phenalenon","","","","","","","","","","","","","","","","","","","","4-azido-3-phenalenon","","C1=CC2=C3C(=C1)C(=CC(=O)C3=CC=C2)N=[N+]=[N-]","GCALUBHITRLFIK-UHFFFAOYSA-N","381899",NA,"PDBC23630","669157","Present"
-"4-Azido-3-phenyl-1H-pyridazin-6-one","","","","","","","","","","","","","","","","","","","","5-Azido-6-phenyl-pyridazin-3-ol","","C1=CC=C(C=C1)C2=NNC(=O)C=C2N=[N+]=[N-]","HWONMIYXBJCHTI-UHFFFAOYSA-N","2784946",NA,"PDBC23631","654614","Present"
-"4-Azido-7-methoxy-3-phenyl-chromen-2-one","","","","","","","","","","","","","","","","","","","","4-Azido-7-methoxy-3-phenyl-chromen-2-one","","COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)N=[N+]=[N-]","QTLPLKUPSSJBOB-UHFFFAOYSA-N","376994",NA,"PDBC23632","658214","Present"
-"4-Azido-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-Azido-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=C(C=C4)N=[N+]=[N-]","QEONJRFORSTWFH-UHFFFAOYSA-N","3003994",NA,"PDBC23633","618049","Present"
-"4-Azido-N-(4-methylpyrimidin-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","NSC84464","","CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=[N+]=[N-]","GTXMBVUMAJNIER-UHFFFAOYSA-N","3246305",NA,"PDBC23634","84464","Present"
-"4-Azidocoumarin","","","","","","","","","","","","","","","","","","","","4-Azidocoumarin","","C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-]","IUICMSYHSPWQPN-UHFFFAOYSA-N","375228",NA,"PDBC23635","654620","Present"
-"4-Azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane","","","","","","","","","","","","","","","","","","","","4-Azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane","","C1C2CC3C4C1C5CC(C4)(CC3C5C2)N=[N+]=[N-]","WGSWUQPIDSQYLO-UHFFFAOYSA-N","357109",NA,"PDBC23636","614994","Present"
-"4-Benzhydryl-2-(2-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine","","","","","","","","","","","","","","","","","","","","4-Benzhydryl-2-(2-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine","","C1C(SC2=CC=CC=C2N=C1C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5F","DTDNGKVZYFPYFW-UHFFFAOYSA-N","364772",NA,"PDBC23637","631531","Present"
-"4-Benzo[1,3]dioxol-5-ylmethylene-2-methyl-4H-oxazol-5-one","","","","","","","","","","","","","","","","","","","","4-Benzo[1,3]dioxol-5-ylmethylene-2-methyl-4H-oxazol-5-one","","CC1=NC(=CC2=CC3=C(C=C2)OCO3)C(=O)O1","YIPBMFCRAFHCPQ-RUDMXATFSA-N","5387542",NA,"PDBC23638","624448","Present"
-"4-Benzothiazol-2-yl-2-ethynyl-phenylamine","","","","","","","","","","","","","","","","","","","","4-Benzothiazol-2-yl-2-ethynyl-phenylamine","","C#CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N","FCDISKKDKAGWLW-UHFFFAOYSA-N","405007",NA,"PDBC23639","721662","Present"
-"4-Benzoyl-1-(2-methylphenyl)-1H-pyrazol-5-amine","","","","","","","","","","","","","","","","","","","","NSC767296","","CC1=CC=CC=C1N2C(=C(C=N2)C(=O)C3=CC=CC=C3)N","WYGCUSHOHRVKKS-UHFFFAOYSA-N","11716060",NA,"PDBC23640","767296","Present"
-"4-Benzoyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylpyrrolidine-2,3-dione","","","","","","","","","","","","","","","","","","","","1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-phenyl-4-(phenylcarbonyl)pyrrolidine-2,3-dione","","COC1=C(C=C(C=C1)CCN2C(C(C(=O)C2=O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC","HOISEOWKLJCISD-UHFFFAOYSA-N","400267",NA,"PDBC23641","711800","Present"
-"4-Benzoyl-1-phenyl-1H-pyrazole-5-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC767294","","C1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C#N","WGZYVHFXLPDNDL-UHFFFAOYSA-N","11630444",NA,"PDBC23642","767294","Present"
-"4-Benzoyl-2,2,6,6-tetramethyl-3,5-heptanedione","","","","","","","","","","","","","","","","","","","","4-Benzoyl-2,2,6,6-tetramethyl-3,5-heptanedione","","CC(C)(C)C(=O)C(C(=O)C1=CC=CC=C1)C(=O)C(C)(C)C","BIGHCYYZNLJIEB-UHFFFAOYSA-N","389083",NA,"PDBC23643","684733","Present"
-"4-Benzoyl-2-dibenzoylmethylene-5-phenyl-2,3-dihydrofuran-3-one","","","","","","","","","","","","","","","","","","","","2-[3-Oxo-5-phenyl-4-(phenylcarbonyl)furan-2(3h)-ylidene]-1,3-diphenylpropane-1,3-dione","","C1=CC=C(C=C1)C2=C(C(=O)C(=C(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O2)C(=O)C5=CC=CC=C5","PADQDXIIGINEFI-UHFFFAOYSA-N","404266",NA,"PDBC23644","720444","Present"
-"4-Benzoyl-2-methyl-1(2H)-isoquinolinone","","","","","","","","","","","","","","","","","","","","4-Benzoyl-2-methyl-1(2H)-isoquinolinone","","CN1C=C(C2=CC=CC=C2C1=O)C(=O)C3=CC=CC=C3","INMHDEVGSSEIAL-UHFFFAOYSA-N","370868",NA,"PDBC23645","644601","Present"
-"4-Benzoyl-3H-benzo[f]quinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Benzoyl-1,2-dihydrobenzo[f]quinaldonitrile","","C1=CC=C(C=C1)C(=O)N2C(C=CC3=C2C=CC4=CC=CC=C43)C#N","YLUZVASKHQAJAO-UHFFFAOYSA-N","262649",NA,"PDBC23646","96541","Present"
-"4-Benzoyl-6,7-diphenyl-1H-azepine-2,3-dione","","","","","","","","","","","","","","","","","","","","4-Benzoyl-6,7-diphenyl-1H-azepine-2,3-dione","","C1=CC=C(C=C1)C2=C(NC(=O)C(=O)C(=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4","VUYBPQSUXPTOPI-UHFFFAOYSA-N","402838",NA,"PDBC23647","717091","Present"
-"4-Benzoylbenzoic acid 4-[bis(2-oxo-4-hydroxy-2H-1-benzopyran-3-yl)methyl]phenyl ester","","","","","","","","","","","","","","","","","","","","[4-[Bis(2-hydroxy-4-oxo-chromen-3-yl)methyl]phenyl] 4-benzoylbenzoate","","C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O","ABOHXYMGRDFBMF-UHFFFAOYSA-N","54722111",NA,"PDBC23648","689413","Present"
-"4-Benzoylisophthalic acid","","","","","","","","","","","","","","","","","","","","4-Benzoylisophthalic acid","","C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O","IPRJQOGCIFOIBA-UHFFFAOYSA-N","255798",NA,"PDBC23649","81620","Present"
-"4-Benzyl 2-ethyl 5-((((3-((benzyloxy)carbonyl)-5-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl)methyl)(methyl)amino)methyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","4-O-Benzyl 2-O-ethyl 5-[[(5-ethoxycarbonyl-4-methyl-3-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl-methylamino]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate","","CCOC(=O)C1=C(C(=C(N1)CN(C)CC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C","PFVWLKLJNMAXMJ-UHFFFAOYSA-N","369904",NA,"PDBC23650","642195","Present"
-"4-Benzyl-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-benzylurazole","","C1=CC=C(C=C1)CN2C(=O)NNC2=O","AHSGRQNZXBIREA-UHFFFAOYSA-N","392331",NA,"PDBC23651","692607","Present"
-"4-Benzyl-1-(2-(1H-indol-3-yl)ethyl)-5-oxo-4,5-dihydro-1H-imidazol-2-ylcyanamide","","","","","","","","","","","","","","","","","","","","4-Benzyl-1-(2-(1H-indol-3-yl)ethyl)-5-oxo-4,5-dihydro-1H-imidazol-2-ylcyanamide","","C1=CC=C(C=C1)CC2C(=O)N(C(=N2)NC#N)CCC3=CNC4=CC=CC=C43","SKLZGBVAIJHAMU-UHFFFAOYSA-N","375243",NA,"PDBC23652","654632","Present"
-"4-Benzyl-1-[2-(dimethylamino)ethyl]piperidine dihydrochloride","","","","","","","","","","","","","","","","","","","","pimetine, dihydrochloride","","CN(C)CCN1CCC(CC1)CC2=CC=CC=C2.Cl","FWOXSJRWBDTDBQ-UHFFFAOYSA-N","24201867",NA,"PDBC23653","528880","Present"
-"4-Benzyl-1-morpholino-bicyclo[2.2.2]octan-3-one oxime","","","","","","","","","","","","","","","","","","","","2-bishydroxyimino-4-(4-morpholinyl)-1-phenylmethyl bicyc...","","C1CC2(CCC1(CC2=NO)N3CCOCC3)CC4=CC=CC=C4","ZYOIQHOYFRTVNC-LVZFUZTISA-N","5831070",NA,"PDBC23654","666707","Present"
-"4-Benzyl-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","","","","","","","","","","","","","","","","","4-Benzyl-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","",NA,"PDBC23655","658196","Present"
-"4-Benzyl-2,2,6,6-tetramethylheptane-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Benzyl-2,2,6,6-tetramethylheptane-3,5-dione","","CC(C)(C)C(=O)C(CC1=CC=CC=C1)C(=O)C(C)(C)C","IAHANHRTTIVESK-UHFFFAOYSA-N","389081",NA,"PDBC23656","684731","Present"
-"4-Benzyl-2,2-dibutyl-1,3,2-dioxastannolane","","","","","","","","","","","","","","","","","","","","4-Benzyl-2,2-dibutyl-1,3,2-dioxastannolane","","CCCC[Sn]1(OCC(O1)CC2=CC=CC=C2)CCCC","ABHXUASUHISUOV-UHFFFAOYSA-N","16683174",NA,"PDBC23657","633509","Present"
-"4-Benzyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","4-Benzyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole","","C1C(N=C(O1)C2=CC=CS2)CC3=CC=CC=C3","QKICIDWWVZZURL-UHFFFAOYSA-N","382426",NA,"PDBC23658","669992","Present"
-"4-Benzyl-2-(4-chlorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol","","","","","","","","","","","","","","","","","","","","4-Benzyl-2-(4-chlorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol","","C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C4=NN(C(=C42)[O-])C5=CC=C(C=C5)Cl","OJYYOWALIBFIND-UHFFFAOYSA-N","365938",NA,"PDBC23659","634082","Present"
-"4-Benzyl-2-(4-fluorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol","","","","","","","","","","","","","","","","","","","","4-Benzyl-2-(4-fluorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol","","C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C4=NN(C(=C42)[O-])C5=CC=C(C=C5)F","UHXUOEXHCXWAEN-UHFFFAOYSA-N","375738",NA,"PDBC23660","655762","Present"
-"4-Benzyl-2-methyl-2-[4-(trifluoromethyl)phenyl]-1-oxa-3-aza-2-boranuidacyclopentan-5-one","","","","","","","","","","","","","","","","","","","","4-Benzyl-2-methyl-2-[4-(trifluoromethyl)phenyl]-1-oxa-3-aza-2-boranuidacyclopentan-5-one","","","","",NA,"PDBC23661","656980","Present"
-"4-Benzyl-2-phenyl-pyrazolo[4,3-c]isoquinolin-4-ium-3-ol","","","","","","","","","","","","","","","","","","","","4-Benzyl-2-phenyl-pyrazolo[4,3-c]isoquinolin-4-ium-3-ol","","C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C4=NN(C(=C42)[O-])C5=CC=CC=C5","BQGBYYQHEBTTPK-UHFFFAOYSA-N","363107",NA,"PDBC23662","627677","Present"
-"4-Benzyl-3,4,6-triphenyl-1H-1,3,5-triazine-2-thione","","","","","","","","","","","","","","","","","","","","4-Benzyl-3,4,6-triphenyl-1H-1,3,5-triazine-2-thione","","C1=CC=C(C=C1)CC2(N=C(NC(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","PTQPGUKBBSDHDW-UHFFFAOYSA-N","3004087",NA,"PDBC23663","627017","Present"
-"4-Benzyl-3-cinnolinol","","","","","","","","","","","","","","","","","","","","4-Benzyl-3-cinnolinol","","C1=CC=C(C=C1)CC2=C3C=CC=CC3=NNC2=O","HVTYMRBGEVMDRL-UHFFFAOYSA-N","368588",NA,"PDBC23664","639684","Present"
-"4-Benzyl-7-iodo-1,2-dihydroimidazo[1,2-a]quinazolin-5-one","","","","","","","","","","","","","","","","","","","","4-Benzyl-7-iodo-2,4-dihydroimidazo[1,2-a]quinazolin-5(1h)-one","","C1CN2C3=C(C=C(C=C3)I)C(=O)N(C2=N1)CC4=CC=CC=C4","CKRQYEUUIVEWOC-UHFFFAOYSA-N","402044",NA,"PDBC23665","715739","Present"
-"4-Benzylamino-1-(2-hydroxyethoxy)methyl-6-methylthio-1H-pyrazolo[3,4:d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-Benzylamino-1-(2-hydroxyethoxy)methyl-6-methylthio-1H-...","","CSC1=NC(=C2C=NN(C2=N1)COCCO)NCC3=CC=CC=C3","OKHZIBFFQPAPMQ-UHFFFAOYSA-N","403619",NA,"PDBC23666","718675","Present"
-"4-Benzylidene-1,7-di(piperidin-1-yl)heptane-3,5-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Benzylidene-1,7-di(piperidin-1-yl)heptane-3,5-dione;hydrochloride","","C1CCN(CC1)CCC(=O)C(=CC2=CC=CC=C2)C(=O)CCN3CCCCC3.Cl","DQWGOYZFBNUYLY-UHFFFAOYSA-N","358058",NA,"PDBC23667","617825","Present"
-"4-Benzylidene-1,7-dimorpholin-4-ylheptane-3,5-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Benzylidene-1,7-dimorpholin-4-ylheptane-3,5-dione;hydrochloride","","C1COCCN1CCC(=O)C(=CC2=CC=CC=C2)C(=O)CCN3CCOCC3.Cl","DLNZZKWLLIWJIP-UHFFFAOYSA-N","358056",NA,"PDBC23668","617824","Present"
-"4-Benzylsulfanyl-2-phenyl-6-sulfanylidene-1H-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(Benzylthio)-6-mercapto-2-phenyl-5-pyrimidinecarbonitrile","","C1=CC=C(C=C1)CSC2=C(C(=S)NC(=N2)C3=CC=CC=C3)C#N","NKHWMILPDOMLQQ-UHFFFAOYSA-N","3005241",NA,"PDBC23669","685472","Present"
-"4-Benzylsulfonyl-7-nitro-2,1,3-benzoxadiazole","","","","","","","","","","","","","","","","","","","","4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole","","C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C3=NON=C23)[N+](=O)[O-]","PVMUCEMCWMKDMP-UHFFFAOYSA-N","313612",NA,"PDBC23670","228148","Present"
-"4-Benzylthio-1-propargyl-1H-pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-Benzylthio-1-propargyl-1H-pyrazolo[3,4-d]pyrimidine","","C#CCN1C2=C(C=N1)C(=NC=N2)SCC3=CC=CC=C3","DOTRXCNRKKHNBP-UHFFFAOYSA-N","396581",NA,"PDBC23671","703070","Present"
-"4-Bromo-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) azobenzene","","","","","","","","","","","","","","","","","","","","4-Bromo-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) azoben...","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)Br","DKQSXXDUZJNYDQ-UHFFFAOYSA-N","365297",NA,"PDBC23672","632848","Present"
-"4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(2-chlorophenyl)methyl)-1H-pyrazole","","","","","","","","","","","","","","","","","","","","4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(2-chlorophenyl)methyl)-1H-pyrazole","","C1=CC=C(C(=C1)C(N2C=C(C=N2)Br)N3C=C(C=N3)Br)Cl","UIRHULWDWNPBPJ-UHFFFAOYSA-N","364072",NA,"PDBC23673","629711","Present"
-"4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(4-chlorophenyl)methyl)-1H-pyrazole","","","","","","","","","","","","","","","","","","","","4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(4-chlorophenyl)methyl)-1H-pyrazole","","C1=CC(=CC=C1C(N2C=C(C=N2)Br)N3C=C(C=N3)Br)Cl","XMKBCOCUWAOWQG-UHFFFAOYSA-N","364697",NA,"PDBC23674","631349","Present"
-"4-Bromo-1-methyl-5-(3-methylisoxazol-5-yl)pyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Bromo-1-methyl-5-(3-methylisoxazol-5-yl)pyrrole-2-carboxylic acid","","CC1=NOC(=C1)C2=C(C=C(N2C)C(=O)O)Br","NMTXCHIPBZUHNC-UHFFFAOYSA-N","392529",NA,"PDBC23675","693045","Present"
-"4-Bromo-1H-pyrrole-2-carboxylic acid (6a-hydroxy-2-oxo-hexahydro-furo[2,3-d]imidazol-5-ylmethyl)-amide","","","","","","","","","","","","","","","","","","","","4-Bromo-1H-pyrrole-2-carboxylic acid (6a-hydroxy-2-oxo-h...","","C1C(OC2C1(NC(=O)N2)O)CNC(=O)C3=CC(=CN3)Br.C1C(OC2C1(NC(=O)N2)O)CNC(=O)C3=CC(=CN3)Br","PYCRYGPANZWICJ-NQBKHGPVSA-N","54612581",NA,"PDBC23676","723328","Present"
-"4-Bromo-2-({4-[ethylbenzylamino]piperidyl}methyl)phenol","","","","","","","","","","","","","","","","","","","","NSC766598","","CCN(CC1=CC=CC=C1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O","HSRJUIYSYAXNIE-UHFFFAOYSA-N","1530458",NA,"PDBC23677","766598","Present"
-"4-Bromo-2-[(cyclohexylimino)methyl]phenol","","","","","","","","","","","","","","","","","","","","ZX-AT026073","","C1CCC(CC1)N=CC2=C(C=CC(=C2)Br)O","PFZHELSOOJVETI-UHFFFAOYSA-N","300886",NA,"PDBC23678","176368","Present"
-"4-Bromo-2-{(E)-[(4-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}phenyl)imino]methyl}phenol","","","","","","","","","","","","","","","","","","","","4-Bromo-2-{(E)-[(4-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}phenyl)imino]methyl}phenol","","C1=CC(=CC=C1N=CC2=C(C=CC(=C2)Br)O)N=CC3=C(C=CC(=C3)Br)O","QFCXAUDCWUSXQG-UHFFFAOYSA-N","359104",NA,"PDBC23679","619686","Present"
-"4-Bromo-3,5-di-tert-butyl-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide","","","","","","","","","","","","","","","","","","","","4-Bromo-3,5-di-tert-butyl-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide","","CC(C)(C)C1C(=C(P(=O)(O1)O)C(C)(C)C)Br","PWSZCJYYHXRFPR-UHFFFAOYSA-N","380874",NA,"PDBC23680","666658","Present"
-"4-Bromo-3,5-di-tert-butyl-2-oxido-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-yl trifluoroacetate","","","","","","","","","","","","","","","","","","","","4-Bromo-3,5-di-tert-butyl-2-oxido-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-yl trifluoroacetate","","CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)OC(=O)C(F)(F)F)Br","FDZCNBUFEJKISK-UHFFFAOYSA-N","380875",NA,"PDBC23681","666659","Present"
-"4-Bromo-3,5-di-tert-butyl-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-ol 2-oxide","","","","","","","","","","","","","","","","","","","","4-bromo-3,5-ditert-butyl-2-oxo-2-phenyl-1,2$l^{5}-oxaphosphol-5-ol","","CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)O)Br","QIVZYIBBFINPGI-UHFFFAOYSA-N","381004",NA,"PDBC23682","666981","Present"
-"4-Bromo-3,5-di-tert-butyl-5-fluoro-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","4-Bromo-3,5-di-tert-butyl-5-fluoro-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide","","CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)F)Br","VIAXKCVQAGAVNG-UHFFFAOYSA-N","380876",NA,"PDBC23683","666660","Present"
-"4-Bromo-3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one","","","","","","","","","","","","","","","","","","","","4-Bromo-3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one","","CC1=NNC(=O)C1C2C(C(=NNC2=O)C3=CNC4=CC=CC=C43)Br","CTXDHXWHBFPWLD-UHFFFAOYSA-N","392034",NA,"PDBC23684","691833","Present"
-"4-Bromo-5,5-dimethyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide","","","","","","","","","","","","","","","","","","","","4-Bromo-5,5-dimethyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide","","CC1(C(=CP(=O)(O1)C2=CC=CC=C2)Br)C","UZZAFLQYWCVDRQ-UHFFFAOYSA-N","380878",NA,"PDBC23685","666662","Present"
-"4-Bromo-5-(2,3-dimethoxyphenyl)-2-azabicyclo[3.3.1]nonane;hydrobromide","","","","","","","","","","","","","","","","","","","","2-Bromo-1-(2,3-dimethoxyphenyl)-4-azabicyclo[3.3.1]nonane hydrobromide","","COC1=CC=CC(=C1OC)C23CCCC(C2)NCC3Br.Br","BWPOJWDAYRTOPG-UHFFFAOYSA-N","398239",NA,"PDBC23686","707839","Present"
-"4-Bromo-6(3',3a,7,7a-tetrahydro-2H-cyclopenta[c]thieno[4,5-d]oxazole-2,7-dione","","","","","","","","","","","","","","","","","","","","4-Bromo-6(3',4'-dimethoxyphenyl)-3,3a,7,7a-tetrahydro-2H...","","COC1=C(C=C(C=C1)C2=C3C(=C(S2)Br)C4C(C3=O)OC(=O)N4)OC","AQUCZYWTBQPSOA-UHFFFAOYSA-N","403921",NA,"PDBC23687","719643","Present"
-"4-Bromo-9-tert-butyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-11-aza-4-borabicyclo[5.3.1]undeca-1(10),7(11),8-triene","","","","","","","","","","","","","","","","","","","","4-Bromo-9-tert-butyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-11-aza-4-borabicyclo[5.3.1]undeca-1(10),7(11),8-triene","","B1(OC(C2=CC(=CC(=N2)C(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C)(C(F)(F)F)C(F)(F)F)Br","ZNIJYLCNGOWHRM-UHFFFAOYSA-N","358615",NA,"PDBC23688","618622","Present"
-"4-Bromo-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Bromo-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide","","CC(=NNS(=O)(=O)C1=CC=C(C=C1)Br)CN2C(=O)C3=CC=CC=C3C2=O","KEYREXBNBRKQAW-YBFXNURJSA-N","9555853",NA,"PDBC23689","643501","Present"
-"4-Bromo-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Bromo-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)benzenesulfonohydrazide","","C1=CC=C2C(=C1)C(=O)N(C2=O)CC=NNS(=O)(=O)C3=CC=C(C=C3)Br","WGPNCVHWWZDCBF-GIJQJNRQSA-N","9555863",NA,"PDBC23690","643512","Present"
-"4-Bromo-N'-butylbenzohydrazide","","","","","","","","","","","","","","","","","","","","4-bromo-N'-butylbenzohydrazide","","CCCCNNC(=O)C1=CC=C(C=C1)Br","BVQCFCYPFJOOAV-UHFFFAOYSA-N","4596836",NA,"PDBC23691","773315","Present"
-"4-Bromo-N-(2-(1-piperidinyl)ethyl)benzamide","","","","","","","","","","","","","","","","","","","","STK493357","","C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)Br","ISJXFKZLMCIOKC-UHFFFAOYSA-N","380066",NA,"PDBC23692","665368","Present"
-"4-Bromo-N-(2-phenyl-4H-pyrazolo[5,1-f]pyrido[1,2-b][1,2,4]triazin-4-ylidene)aniline","","","","","","","","","","","","","","","","","","","","N-(4-Bromophenyl)-4-phenyl-1,2,3,8-tetrazatricyclo[7.4.0.02,6]trideca-3,5,8,10,12-pentaen-7-imine","","C1=CC=C(C=C1)C2=NN3C(=C2)C(=NC4=CC=C(C=C4)Br)N=C5N3C=CC=C5","NGNODFWOFCYIGT-UHFFFAOYSA-N","370906",NA,"PDBC23693","644644","Present"
-"4-Bromo-N-(4-methylbenzyl)aniline","","","","","","","","","","","","","","","","","","","","N-(4-Methylbenzyl)-4-bromoaniline","","CC1=CC=C(C=C1)CNC2=CC=C(C=C2)Br","WJKFEXKYOWOJPT-UHFFFAOYSA-N","292569",NA,"PDBC23694","158399","Present"
-"4-Bromo-N-[(1,1-dioxo-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-yl)methyl]benzamide","","","","","","","","","","","","","","","","","","","","4-Bromo-N-[(1,1-dioxo-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-yl)methyl]benzamide","","C1=CC(=CC=C1C(=O)NCC2NC3=C(C=NC=C3)S(=O)(=O)N2)Br","MEHBPVBRPQNLJI-UHFFFAOYSA-N","398187",NA,"PDBC23695","707782","Present"
-"4-Bromo-N-[(2,6-diethylphenyl)carbamothioyl]benzamide","","","","","","","","","","","","","","","","","","","","Thiourea, N-[(4-bromophenyl)carbonyl]- N'-(2,6-diethylph...","","CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)C2=CC=C(C=C2)Br","PHNGFSCBIVNEKD-UHFFFAOYSA-N","3004250",NA,"PDBC23696","640359","Present"
-"4-Bromo-N-[2-(ethylamino)ethyl]benzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC665374","","CCNCCNC(=O)C1=CC=C(C=C1)Br.Cl","GXBZOVOYAPDGPH-UHFFFAOYSA-N","380077",NA,"PDBC23697","665374","Present"
-"4-Bromo-N-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]butanamide","","","","","","","","","","","","","","","","","","","","4-Bromo-N-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]butanamide","","C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2NC(=O)CCCBr)C(F)(F)F","NVERPKJUDZQPPF-UPHRSURJSA-N","24205407",NA,"PDBC23698","735436","Present"
-"4-Bromo-N-[2-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-bromo-N-(2-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazo...","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)Br","VVLDNGKHMOZUIL-UHFFFAOYSA-N","92131132",NA,"PDBC23699","783563","Present"
-"4-Bromo-N-[3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzamide","","","","","","","","","","","","","","","","","","","","4-bromo-N-(3-(5,6,7-trimethoxy-4-oxochroman-2-yl)phenyl)...","","COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Br)OC)OC","UNJAMRWNCMWMCG-UHFFFAOYSA-N","155814349",NA,"PDBC23700","798138","Present"
-"4-Bromo-N-[3-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-bromo-N-(3-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazo...","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)Br","QDSQEHDUAYHHQL-UHFFFAOYSA-N","155806061",NA,"PDBC23701","787109","Present"
-"4-Bromo-N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]aniline","","","","","","","","","","","","","","","","","","","","4-Bromo-N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]aniline","","CCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)Br)OCC","WVDHHQRUEMRVLK-UHFFFAOYSA-N","385492",NA,"PDBC23702","676741","Present"
-"4-Bromo-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Bromo-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide","","CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=C(C=C1)Br","RVTUBFBGGUVODM-UHFFFAOYSA-N","368841",NA,"PDBC23703","640166","Present"
-"4-Bromoquinolin-8-ol","","","","","","","","","","","","","","","","","","","","4-Bromoquinolin-8-ol","","C1=CC2=C(C=CN=C2C(=C1)O)Br","CNBUFEUMIIGYIU-UHFFFAOYSA-N","384165",NA,"PDBC23704","673456","Present"
-"4-Butyl-1,2-diphenyl-4-(9H-xanthen-9-yl)pyrazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Butyl-1,2-diphenyl-4-(9H-xanthen-9-yl)pyrazolidine-3,5-dione","","CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4C5=CC=CC=C5OC6=CC=CC=C46","CVPRQMOZWZABTR-UHFFFAOYSA-N","357337",NA,"PDBC23705","615604","Present"
-"4-Butyl-11-methyl-1H-furo[3,4-b]oxanthren-3-one","","","","","","","","","","","","","","","","","","","","11-Butyl-4-methylfuro[3,4-b]oxanthren-1(3h)-one","","CCCCC1=C2C(=C(C3=C1OC4=CC=CC=C4O3)C)COC2=O","ZTNQKZGZTJFNGV-UHFFFAOYSA-N","398158",NA,"PDBC23706","707690","Present"
-"4-Butyl-4,11-dihydro-1H-pyrimido[4,5-a]carbazole","","","","","","","","","","","","","","","","","","","","4-Butyl-4,11-dihydro-1H-pyrimido[4,5-a]carbazole","","CCCCC1C2=C(C3=C(C=C2)C4=CC=CC=C4N3)NC=N1","DYPCXFPTTAYIOF-UHFFFAOYSA-N","334687",NA,"PDBC23707","340555","Present"
-"4-Butyl-4-(2-cyclohexylidenehydrazino)-1,2-diphenylpyrazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Butyl-4-(2-cyclohexylidenehydrazino)-1,2-diphenylpyrazolidine-3,5-dione","","CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)NN=C4CCCCC4","APBRIQOGDHBPMH-UHFFFAOYSA-N","378377",NA,"PDBC23708","660676","Present"
-"4-Butyl-5-isopropyl-2-methyl-1,3-oxazole","","","","","","","","","","","","","","","","","","","","4-Butyl-5-isopropyl-2-methyl-1,3-oxazole","","CCCCC1=C(OC(=N1)C)C(C)C","DKMCAUSUYOFBBT-UHFFFAOYSA-N","384231",NA,"PDBC23709","673647","Present"
-"4-Carbamoyl-1-dodecylpyridin-1-ium bromide","","","","","","","","","","","","","","","","","","","","4-Carbamoyl-1-dodecylpyridin-1-ium bromide","","CCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)N.[Br-]","HTJHOMQXYMEFFL-UHFFFAOYSA-N","14143619",NA,"PDBC23710","141257","Present"
-"4-Carbamoyl-1h-imidazol-5-yl thiocyanate","","","","","","","","","","","","","","","","","","","","1H-Imidazole-4-carboxamide, 5-thiocyanato-","","C1=NC(=C(N1)C(=O)N)SC#N","GPINFQBTFXFXNK-UHFFFAOYSA-N","388844",NA,"PDBC23711","684038","Present"
-"4-Carbethoxymethyl-2-[2-[(1-pyrolidinyl)thiocarbamoylthio]he xanoylamino]thiazole","","","","","","","","","","","","","","","","","","","","4-carbethoxymethyl-2-[2-[(1-pyrolidinyl)thiocarbamoylthi...","","CCCCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC(=S)N2CCCC2","ZLPLVIUKYHPOAQ-UHFFFAOYSA-N","24205626",NA,"PDBC23712","736283","Present"
-"4-Carboxybenzenethiolate;1,3-dibenzyl-4,5-diphenyl-2H-imidazol-2-ide;gold(1+)","","","","","","","","","","","","","","","","","","","","1,3-dibenzyl-4,5-diphenyl-imidazol-2-ylidene gold(I) p-m...","","[CH-]1N(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.C1=CC(=CC=C1C(=O)O)[S-].[Au+]","UTTPUEKFCIGRKU-UHFFFAOYSA-M","155807096",NA,"PDBC23713","791327","Present"
-"4-Carboxyl-benzo[b]thieno[17,3,5(10),16-tetraen-3-ol","","","","","","","","","","","","","","","","","","","","4-Carboxyl-benzo[b]thieno[17,16-d]-3-O-methyl-estra-1,3,...","","CC12CCC3C(C1CC4=CC(=C5C(=C24)C=CS5)C(=O)O)CCC6=C3C=CC(=C6)OC","AFOPBUWQWDDRBN-HADKFRGNSA-N","45027911",NA,"PDBC23714","740084","Present"
-"4-Carboxyphenylglycine","","","","","","","","","","","","","","","","","","","","4-CPG","","C1=CC(=CC=C1C(C(=O)O)N)C(=O)O","VTMJKPGFERYGJF-UHFFFAOYSA-N","5115",NA,"PDBC23715","644612","Present"
-"4-Chloro-1,3,5,7-tetramethyl-1,3,5,7-tetraaza-4lambda~5~-phosphaspiro[3.3]heptane-2,6-dione","","","","","","","","","","","","","","","","","","","","4-Chloro-1,3,5,7-tetramethyl-1,3,5,7-tetraaza-4lambda~5~-phosphaspiro[3.3]heptane-2,6-dione","","CN1C(=O)N(P12(N(C(=O)N2C)C)Cl)C","IBTDLMFATJWOHG-UHFFFAOYSA-N","367801",NA,"PDBC23716","637820","Present"
-"4-Chloro-1,5-diethoxy-3-methyl-2H-1lambda5-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-1,5-diethoxy-3-methyl-1,2-dihydrophosphinine 1-oxide","","CCOC1=CP(=O)(CC(=C1Cl)C)OCC","ZTVHLWYBQKMLGH-UHFFFAOYSA-N","374236",NA,"PDBC23717","651731","Present"
-"4-Chloro-1,5-dinitronaphthalene","","","","","","","","","","","","","","","","","","","","Naphthalene, 4-chloro-1,5-dinitro-","","C1=CC2=C(C=CC(=C2C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]","KCMPORJIBRHUHC-UHFFFAOYSA-N","294516",NA,"PDBC23718","163133","Present"
-"4-Chloro-1-ethoxy-3,5-dimethyl-1,2-dihydrophosphorin 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-1-ethoxy-3,5-dimethyl-1,2-dihydrophosphinine 1-oxide","","CCOP1(=O)CC(=C(C(=C1)C)Cl)C","JGIMOEHVVMWQGZ-UHFFFAOYSA-N","372643",NA,"PDBC23719","648097","Present"
-"4-Chloro-1-ethoxy-3-methoxy-5-methyl-1,2,3,6-tetrahydrophosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-1-ethoxy-3-methoxy-5-methyl-1,2,3,6-tetrahydrophosphinine 1-oxide","","CCOP1(=O)CC(C(=C(C1)C)Cl)OC","WGVMXIBAKCESJT-UHFFFAOYSA-N","378415",NA,"PDBC23720","660834","Present"
-"4-Chloro-1-ethoxy-3-methyl-1,2-dihydrophosphorin 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-1-ethoxy-3-methyl-1,2-dihydrophosphinine 1-oxide","","CCOP1(=O)CC(=C(C=C1)Cl)C","XPXVVCIKUBLFCQ-UHFFFAOYSA-N","368399",NA,"PDBC23721","639390","Present"
-"4-Chloro-1-ethoxy-5-methyl-1,2,3,6-tetrahydro-3-phosphininol 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-1-ethoxy-5-methyl-1,2,3,6-tetrahydro-3-phosphininol 1-oxide","","CCOP1(=O)CC(C(=C(C1)C)Cl)O","NAIZILPXZFRPLE-UHFFFAOYSA-N","378416",NA,"PDBC23722","660835","Present"
-"4-Chloro-1-isopropoxy-3-methoxy-3,5-dimethyl-1,2,3,6-tetrahydrophosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-1-isopropoxy-3-methoxy-3,5-dimethyl-1,2,3,6-tetrahydrophosphinine 1-oxide","","CC1=C(C(CP(=O)(C1)OC(C)C)(C)OC)Cl","DREMTYJUJQWDRI-UHFFFAOYSA-N","378417",NA,"PDBC23723","660836","Present"
-"4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE","","CN1C2=C(C=N1)C(=NC=N2)Cl","AVFLNALVPBLGEV-UHFFFAOYSA-N","219751",NA,"PDBC23724","1424","Present"
-"4-Chloro-1H-indazole","","","","","","","","","","","","","","","","","","","","4-Chloro-1H-indazole","","C1=CC2=C(C=NN2)C(=C1)Cl","CQTGQYVQJOJQCM-UHFFFAOYSA-N","393037",NA,"PDBC23725","694315","Present"
-"4-Chloro-2-((3-(5-chloro-2-hydroxybenzyl)-1-imidazolidinyl)methyl)phenol","","","","","","","","","","","","","","","","","","","","4-Chloro-2-((3-(5-chloro-2-hydroxybenzyl)-1-imidazolidinyl)methyl)phenol","","C1CN(CN1CC2=C(C=CC(=C2)Cl)O)CC3=C(C=CC(=C3)Cl)O","WXTWKGUACFYGQQ-UHFFFAOYSA-N","381409",NA,"PDBC23726","667954","Present"
-"4-Chloro-2-((3-quinolinylimino)methyl)phenol","","","","","","","","","","","","","","","","","","","","4-Chloro-2-((3-quinolinylimino)methyl)phenol","","C1=CC=C2C(=C1)C=C(C=N2)N=CC3=C(C=CC(=C3)Cl)O","APAGHSCPGGGDFZ-UHFFFAOYSA-N","270355",NA,"PDBC23727","112751","Present"
-"4-Chloro-2-(2,7,7-trimethyl-1-tricyclo[2.2.1.02,6]heptanyl)aniline","","","","","","","","","","","","","","","","","","","","4-Chloro-2-(2,7,7-trimethyl-1-tricyclo[2.2.1.02,6]heptanyl)aniline","","CC1(C2CC3C1(C3(C2)C)C4=C(C=CC(=C4)Cl)N)C","NNNGJTMHDQRLPS-UHFFFAOYSA-N","396665",NA,"PDBC23728","703179","Present"
-"4-Chloro-2-(2-imino-6-phenyl-1,2,5,6-tetrahydro-4-pyrimidinyl)phenol","","","","","","","","","","","","","","","","","","","","4-Chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol","","C1C(N=C(N=C1C2=C(C=CC(=C2)Cl)O)N)C3=CC=CC=C3","MTSFRTBCIQTEBZ-UHFFFAOYSA-N","359841",NA,"PDBC23729","621451","Present"
-"4-Chloro-2-(2-mercapto-6-phenyl-4-pyrimidinyl)phenol","","","","","","","","","","","","","","","","","","","","4-Chloro-2-(2-mercapto-6-phenyl-4-pyrimidinyl)phenol","","C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C3=C(C=CC(=C3)Cl)O","KKEOTAJRTYTASO-UHFFFAOYSA-N","3005076",NA,"PDBC23730","670269","Present"
-"4-Chloro-2-(5-chloro-2-mercapto-6-phenyl-4-pyrimidinyl)phenol","","","","","","","","","","","","","","","","","","","","4-Chloro-2-(5-chloro-2-mercapto-6-phenyl-4-pyrimidinyl)phenol","","C1=CC=C(C=C1)C2=NC(=S)NC(=C2Cl)C3=C(C=CC(=C3)Cl)O","LDQJDMZIZVJLRV-UHFFFAOYSA-N","3005075",NA,"PDBC23731","670268","Present"
-"4-Chloro-2-(methylthio)pyrimido[5',4':6,7][1,3,4]thiadiazepino[3,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","7-Chloro-5-methylsulfanyl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3(8),4,6,9,12,14,16-octaene","","CSC1=NC2=C(C=NN3C4=CC=CC=C4N=C3S2)C(=N1)Cl","CWQXEPRYCXZVFV-UHFFFAOYSA-N","394381",NA,"PDBC23732","697781","Present"
-"4-Chloro-2-[(7-hydroxy-3-methyl-4-oxo-chromene-2-carbonyl)amino]-5-methyl-benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-Chloro-2-[(7-hydroxy-3-methyl-4-oxo-chromene-2-carbonyl)amino]-5-methyl-benzenesulfonic acid","","CC1=CC(=C(C=C1Cl)NC(=O)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)C)S(=O)(=O)O","CEQYEVNGXMVCSE-UHFFFAOYSA-N","5467220",NA,"PDBC23733","648630","Present"
-"4-Chloro-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol","","","","","","","","","","","","","","","","","","","","4-chloro-2-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenol","","C1=CC(=CC=C1C2=NNC(=C2)C3=C(C=CC(=C3)Cl)O)Cl","NNPMRAUCHSGECM-UHFFFAOYSA-N","776023",NA,"PDBC23734","775429","Present"
-"4-Chloro-2-[5-(2-chloro-phenyl)-1H-pyrazol-3-yl]-phenol","","","","","","","","","","","","","","","","","","","","4-chloro-2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol","","C1=CC=C(C(=C1)C2=CC(=NN2)C3=C(C=CC(=C3)Cl)O)Cl","ZMXHUXDIJUDGPM-UHFFFAOYSA-N","685709",NA,"PDBC23735","767874","Present"
-"4-Chloro-2-[[3-(7-hydroxy-2-oxo-chromen-4-yl)-2-oxo-propanoyl]amino]-5-methyl-benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-Chloro-2-{[3-(7-hydroxy-2-oxo-2H-chromen-4-yl)-2-oxopropanoyl]amino}-5-methylbenzenesulfonic acid","","CC1=CC(=C(C=C1Cl)NC(=O)C(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)O","DZNKBAMBDVHWLE-UHFFFAOYSA-N","5467036",NA,"PDBC23736","647097","Present"
-"4-Chloro-2-[[5-chloro-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfamoyl]-4-methylphenyl]disulfanyl]-N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-[[5-chloro-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfamoyl]-4-methylphenyl]disulfanyl]-N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)SSC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)NC3=NNC(=N3)C4=CC=C(C=C4)Cl)S(=O)(=O)NC5=NNC(=N5)C6=CC=C(C=C6)Cl","CNBDKAVAABAXQE-UHFFFAOYSA-N","384335",NA,"PDBC23737","674020","Present"
-"4-Chloro-2-mercapto-5-methyl-N-(1-phenyl-1H-benzimidazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-5-methyl-N-(1-phenyl-1H-benzimidazol-2-yl)benzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N2C4=CC=CC=C4","GXMBRHBPQJMPEM-UHFFFAOYSA-N","393936",NA,"PDBC23738","696908","Present"
-"4-Chloro-2-mercapto-5-methyl-N-(1H-perimidin-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-5-methyl-N-(1H-perimidin-2-yl)benzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C2NC3=CC=CC4=C3C(=CC=C4)N2","AGBDQOAYKJADGP-UHFFFAOYSA-N","135465540",NA,"PDBC23739","696907","Present"
-"4-Chloro-2-mercapto-5-methyl-N-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-5-methyl-N-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)benzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)C3=CC=CC=N3","WXPHALLOHYTUIX-UHFFFAOYSA-N","384315",NA,"PDBC23740","673999","Present"
-"4-Chloro-2-mercapto-5-methyl-N-(5-amino-1-methyl-1,2,4-trizol-3-yl)benzenesulphonamide","","","","","","","","","","","","","","","","","","","","N-(5-Amino-1-methyl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C","ZSQPQYIRXMQNMO-UHFFFAOYSA-N","378478",NA,"PDBC23741","661078","Present"
-"4-Chloro-2-mercapto-5-methyl-N-(6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-5-methyl-N-(6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)benzenesulfonamide","","CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)S","BWAHRTZIBYHSLE-UHFFFAOYSA-N","397046",NA,"PDBC23742","704328","Present"
-"4-Chloro-2-mercapto-5-methyl-N-(6-methyl-1H-benzimidazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-5-methyl-N-(6-methyl-1H-benzimidazol-2-yl)benzenesulfonamide","","CC1=CC2=C(C=C1)N=C(N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S","HJRQHTSVOGWXFU-UHFFFAOYSA-N","387426",NA,"PDBC23743","681175","Present"
-"4-Chloro-2-mercapto-5-methyl-N-(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-5-methyl-N-(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzenesulfonamide","","CC1=NN2C(=NN=C2NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S)C=C1","CBKMGNZRPVFMMI-UHFFFAOYSA-N","384312",NA,"PDBC23744","673996","Present"
-"4-Chloro-2-mercapto-5-methyl-N-[1,2,4]triazolo[4,3-a]pyridin-3-ylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-5-methyl-N-[1,2,4]triazolo[4,3-a]pyridin-3-ylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C=CC=C3","SGQVCISIURHRNX-UHFFFAOYSA-N","380939",NA,"PDBC23745","666725","Present"
-"4-Chloro-2-mercapto-5-methyl-N-[3-(2-naphthylamino)-1H-1,2,4-triazol-5-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-5-methyl-N-[3-(2-naphthylamino)-1H-1,2,4-triazol-5-yl]benzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC4=CC=CC=C4C=C3","FVYYYOQJBIBEHF-UHFFFAOYSA-N","380933",NA,"PDBC23746","666719","Present"
-"4-Chloro-2-mercapto-5-methyl-N-[3-(3-nitrophenyl)quinoxalin-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-chloro-2-mercapto-5-methyl-N-[3-(3-nitrophenyl)quinoxa...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2C4=CC(=CC=C4)[N+](=O)[O-]","NLFDRVQQKIFDQW-UHFFFAOYSA-N","404443",NA,"PDBC23747","720648","Present"
-"4-Chloro-2-mercapto-5-methyl-N-[3-(4-chlorophenyl)-4-cyano-5-pyrazolyl)benzene-sulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-5-methyl-N-[3-(4-chlorophenyl)-4-cya...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=C2C#N)C3=CC=C(C=C3)Cl","CJCWTWHXCDDRSD-UHFFFAOYSA-N","406660",NA,"PDBC23748","724900","Present"
-"4-Chloro-2-mercapto-5-methyl-N-[5-methyl-7-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-N-[5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C(=CC(=C3)C(F)(F)F)C","NKLLWQCNTWVCCV-UHFFFAOYSA-N","384311",NA,"PDBC23749","673995","Present"
-"4-Chloro-2-mercapto-5-methyl-N-{3-[(3,4,5-trimethoxyphenyl)amino]-1H-1,2,4-triazol-5-yl}benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-2-sulfanyl-N-[5-(3,4,5-trimethoxyanilino)-1H-1,2,4-triazol-3-yl]benzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC(=C(C(=C3)OC)OC)OC","DWBSMUGBPMNAMT-UHFFFAOYSA-N","380932",NA,"PDBC23750","666718","Present"
-"4-Chloro-2-mercapto-5-methyl-N-{3-[(4-methylphenyl)amino]-1H-1,2,4-triazol-5-yl}benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-5-methyl-N-{3-[(4-methylphenyl)amino]-1H-1,2,4-triazol-5-yl}benzenesulfonamide","","CC1=CC=C(C=C1)NC2=NC(=NN2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S","CYIGQYFUSLAKHN-UHFFFAOYSA-N","380928",NA,"PDBC23751","666714","Present"
-"4-Chloro-2-mercapto-5-methyl-n-(5,6-dimethylbenzimidazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-2-sulfanyl-benzenesulfonamide","","CC1=CC2=C(C=C1C)N=C(N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S","BBORRUJYQJABHV-UHFFFAOYSA-N","387427",NA,"PDBC23752","681176","Present"
-"4-Chloro-2-mercapto-N-{3-[(3-methoxyphenyl)amino]-1H-1,2,4-triazol-5-yl}-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-N-{3-[(3-methoxyphenyl)amino]-1H-1,2,4-triazol-5-yl}-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC(=CC=C3)OC","YYQWMYDERBYAMK-UHFFFAOYSA-N","380931",NA,"PDBC23753","666717","Present"
-"4-Chloro-2-mercapto-N-{3-[(4-methoxyphenyl)amino]-1H-1,2,4-triazol-5-yl}-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-2-mercapto-N-{3-[(4-methoxyphenyl)amino]-1H-1,2,4-triazol-5-yl}-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=C(C=C3)OC","ONYBCDREBRLIKV-UHFFFAOYSA-N","380930",NA,"PDBC23754","666716","Present"
-"4-Chloro-2-nitro-1-(phenylsulfonyl)benzene","","","","","","","","","","","","","","","","","","","","NSC658180","","C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]","VZDUQPHKUBZMLW-UHFFFAOYSA-N","291461",NA,"PDBC23755","658180","Present"
-"4-Chloro-2-nitro-1-(phenylthio)benzene","","","","","","","","","","","","","","","","","","","","Maybridge1_000696","","C1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-]","GSQPMKQJTMHIFH-UHFFFAOYSA-N","376977",NA,"PDBC23756","658179","Present"
-"4-Chloro-2-nitrophenyl benzoate","","","","","","","","","","","","","","","","","","","","AL-398/12677004","","C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]","VATBFJSGHPZRDB-UHFFFAOYSA-N","361281",NA,"PDBC23757","624224","Present"
-"4-Chloro-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene","","","","","","","","","","","","","","","","","","","","4-Chloro-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene","","C1=CC=C(C=C1)N2C3=C4C(OC5=C3C=C(C=C5)Cl)SC6=CC=CC=C6C4=N2","REFDRGAXVOHPOO-UHFFFAOYSA-N","371909",NA,"PDBC23758","646493","Present"
-"4-Chloro-2-phenyl[1,3]thiazolo[4,5-d]pyridazine","","","","","","","","","","","","","","","","","","","","Thiazolo[4,5-d]pyridazine, 4-chloro-2-phenyl-","","C1=CC=C(C=C1)C2=NC3=C(N=NC=C3S2)Cl","ILZWMFRMQWZOKM-UHFFFAOYSA-N","388033",NA,"PDBC23759","682463","Present"
-"4-Chloro-2-phenylquinoline","","","","","","","","","","","","","","","","","","","","ACM4979797","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)Cl","GLVDSTVYOFXBKT-UHFFFAOYSA-N","278376",NA,"PDBC23760","127922","Present"
-"4-Chloro-2-{[(1,1-dioxido-2,5-dihydro-2-thienyl)(oxo)acetyl]amino}-5-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-Chloro-2-{[(1,1-dioxido-2,5-dihydro-2-thienyl)(oxo)acetyl]amino}-5-methylbenzenesulfonic acid","","CC1=CC(=C(C=C1Cl)NC(=O)C(=O)C2C=CCS2(=O)=O)S(=O)(=O)O","AMDJIYDXUCSPFC-UHFFFAOYSA-N","371838",NA,"PDBC23761","646356","Present"
-"4-Chloro-2-{[5-methoxy-3-(methoxycarbonyl)-2,4,5-trioxopentanoyl]amino}-5-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-Chloro-2-{[5-methoxy-3-(methoxycarbonyl)-2,4,5-trioxopentanoyl]amino}-5-methylbenzenesulfonic acid","","CC1=CC(=C(C=C1Cl)NC(=O)C(=O)C(C(=O)C(=O)OC)C(=O)OC)S(=O)(=O)O","MISRINPOFPSLSB-UHFFFAOYSA-N","369808",NA,"PDBC23762","642002","Present"
-"4-Chloro-3,5-dimethyl-1-propan-2-yloxy-2H-1lambda5-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-3,5-dimethyl-1-(propan-2-yloxy)-1,2-dihydrophosphinine 1-oxide","","CC1=C(C(=CP(=O)(C1)OC(C)C)C)Cl","LHDZLLWPCVALHO-UHFFFAOYSA-N","374235",NA,"PDBC23763","651730","Present"
-"4-Chloro-3,5-dimethyl-1-propoxy-2H-1lambda5-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-3,5-dimethyl-1-propoxy-1,2-dihydrophosphinine 1-oxide","","CCCOP1(=O)CC(=C(C(=C1)C)Cl)C","IYSRVZSJQJHCMQ-UHFFFAOYSA-N","372644",NA,"PDBC23764","648098","Present"
-"4-Chloro-3,5-dinitrobenzamide","","","","","","","","","","","","","","","","","","","","C7H4ClN3O5","","C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)N","XIYABENEBOSULF-UHFFFAOYSA-N","88673",NA,"PDBC23765","76582","Present"
-"4-Chloro-3-(2-chloroethyl)-6-fluoro-2-methylquinoline","","","","","","","","","","","","","","","","","","","","AO-476/40829184","","CC1=C(C(=C2C=C(C=CC2=N1)F)Cl)CCCl","VENGHQRTHAHFAY-UHFFFAOYSA-N","387223",NA,"PDBC23766","680785","Present"
-"4-Chloro-3-(chloro(difluoro)methyl)-4,4-difluoro-3-hydroxybutanal (4-chloro-3-(chloro(difluoro)methyl)-4,4-difluoro-3-hydroxybutylidene)hydrazone","","","","","","","","","","","","","","","","","","","","(4E)-1-Chloro-4-[(E)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol","","C(C=NN=CCC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","WZVCDNUTHWTVSU-GBKOTFCMSA-N","9555939",NA,"PDBC23767","659188","Present"
-"4-Chloro-3-cinnolinol","","","","","","","","","","","","","","","","","","","","4-Chloro-3-cinnolinol","","C1=CC2=C(C(=O)NN=C2C=C1)Cl","KPKPESZZAAYPCF-UHFFFAOYSA-N","368587",NA,"PDBC23768","639683","Present"
-"4-Chloro-3-methoxy-N-[4-[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=CC=C5)Cl","VQEAREVJSIICME-UHFFFAOYSA-N","402392",NA,"PDBC23769","716304","Present"
-"4-Chloro-3-methoxy-N-[4-[2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=CS5)Cl","MGTWXBYQVSISFD-UHFFFAOYSA-N","402394",NA,"PDBC23770","716306","Present"
-"4-Chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","CC1C(=O)N(C(S1)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC","ZJTNBKYRMYDMIO-UHFFFAOYSA-N","402397",NA,"PDBC23771","716309","Present"
-"4-Chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","CC1C(=O)N(C(S1)C2=CC=CS2)C3=NC(=CS3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC","FAPUZTLWQADRQD-UHFFFAOYSA-N","402399",NA,"PDBC23772","716311","Present"
-"4-Chloro-3-methoxy-N-[4-[2-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[2-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=CC4=CC(=CC=C4)OC5=CC=CC=C5)Cl","LFRNVADZSXHLHC-MNBJERMJSA-N","9572447",NA,"PDBC23773","716297","Present"
-"4-Chloro-3-methoxy-N-[4-[2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=CC=CC4=CC=CC=C4)Cl","DCJAXHQQRKVNAT-VPCCHDSYSA-N","9572448",NA,"PDBC23774","716298","Present"
-"4-Chloro-3-methoxy-N-[4-[2-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[2-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=CC4=CC=CS4)Cl","SHRUALOITOZROO-FMCGGJTJSA-N","9572446",NA,"PDBC23775","716295","Present"
-"4-Chloro-3-methoxy-N-[4-[2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC(=CC=C5)OC6=CC=CC=C6)Cl","PRPARHJXEAMERV-UHFFFAOYSA-N","402395",NA,"PDBC23776","716307","Present"
-"4-Chloro-3-methoxy-N-[4-[2-[5-methyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[2-[5-methyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide","","CC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC(=CS4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)Cl)OC","RVGFVNHBHQISPF-UHFFFAOYSA-N","402400",NA,"PDBC23777","716312","Present"
-"4-Chloro-3-methoxy-N-[4-[4-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[4-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(SCC4=O)C5=CC=CS5)Cl","HBKHALWIQFHDFK-UHFFFAOYSA-N","402738",NA,"PDBC23778","716932","Present"
-"4-Chloro-3-methoxy-N-[4-[4-(thiophen-2-ylmethylideneamino)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[4-(thiophen-2-ylmethylideneamino)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N=CC4=CC=CS4)Cl","FNDYNJOMOLIALY-UHFFFAOYSA-N","402732",NA,"PDBC23779","716926","Present"
-"4-Chloro-3-methoxy-N-[4-[4-[(4E)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[4-[(4E)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(=NC(=CC5=CC=CS5)C4=O)C6=CC=CC=C6)Cl","TZHDDMMABBCVSJ-PCLIKHOPSA-N","5472215",NA,"PDBC23780","716949","Present"
-"4-Chloro-3-methoxy-N-[4-[4-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[4-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(=NC(=CC5=CC=CC=C5[N+](=O)[O-])C4=O)C6=CC=CC=C6)Cl","NPURFFPTNWMMQL-ONUIUJJFSA-N","5472214",NA,"PDBC23781","716948","Present"
-"4-Chloro-3-methoxy-N-[4-[4-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methoxy-N-[4-[4-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(=NC(=CC=CC5=CC=CC=C5)C4=O)C6=CC=CC=C6)Cl","MJWNYZCLBKNNBR-ARZLCFKZSA-N","5472213",NA,"PDBC23782","716947","Present"
-"4-Chloro-3-methyl-1-oxo-1-propoxy-2H-1lambda5-phosphinin-5-ol","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-1-propoxy-1,6-dihydrophosphinin-3-ol 1-oxide","","CCCOP1(=O)CC(=C(C(=C1)O)Cl)C","OWNPQNKVSYOABJ-UHFFFAOYSA-N","374237",NA,"PDBC23783","651732","Present"
-"4-Chloro-3-methyl-1-phenoxy-2H-1lambda5-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methyl-1-phenoxy-1,2-dihydrophosphinine 1-oxide","","CC1=C(C=CP(=O)(C1)OC2=CC=CC=C2)Cl","VBPGYAPIOSBTCW-UHFFFAOYSA-N","370736",NA,"PDBC23784","644256","Present"
-"4-Chloro-3-methyl-1-propan-2-yloxy-2H-1lambda5-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methyl-1-(propan-2-yloxy)-1,2-dihydrophosphinine 1-oxide","","CC1=C(C=CP(=O)(C1)OC(C)C)Cl","QFSZGOPFUCXBAQ-UHFFFAOYSA-N","368400",NA,"PDBC23785","639391","Present"
-"4-Chloro-3-methyl-1-propoxy-1,2-dihydrophosphorin 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methyl-1-propoxy-1,2-dihydrophosphinine 1-oxide","","CCCOP1(=O)CC(=C(C=C1)Cl)C","FJRUJMZGGYRQBK-UHFFFAOYSA-N","370737",NA,"PDBC23786","644257","Present"
-"4-Chloro-3-methylphenolate;1-phenylbutane-1,3-dione;titanium(4+)","","","","","","","","","","","","","","","","","","","","cis-Bis(4-chloro-1-hydroxy-3-methylbenzolato-O-)bis(1-ph...","","CC1=C(C=CC(=C1)[O-])Cl.CC1=C(C=CC(=C1)[O-])Cl.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","LZOKCQJRQLTLRC-UHFFFAOYSA-L","11979332",NA,"PDBC23787","638372","Present"
-"4-Chloro-3-methylphenyl (4-phenyl-1H-1,2,3-triazol-1-yl)methylcarbamate","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methylphenyl (4-phenyl-1H-1,2,3-triazol-1-yl)methylcarbamate","","CC1=C(C=CC(=C1)OC(=O)NCN2C=C(N=N2)C3=CC=CC=C3)Cl","ZKMIOLOIPMMYCR-UHFFFAOYSA-N","386632",NA,"PDBC23788","679086","Present"
-"4-Chloro-3-nitrobenzamide","","","","","","","","","","","","","","","","","","","","3-Nitro-4-chlorobenzamide","","C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])Cl","CGXRJCDXGJRBHV-UHFFFAOYSA-N","27942",NA,"PDBC23789","127825","Present"
-"4-Chloro-3-nitrobenzanilide","","","","","","","","","","","","","","","","","","","","4-chloro-3-nitrobenzanilide","","C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]","MPSDMWLZVDJFGW-UHFFFAOYSA-N","96073",NA,"PDBC23790","50641","Present"
-"4-Chloro-3-nitrobenzophenone","","","","","","","","","","","","","","","","","","","","4-chloro-3-nitrobenzophenone","","C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]","YBDBYPQFIMSFJW-UHFFFAOYSA-N","41743",NA,"PDBC23791","102519","Present"
-"4-Chloro-3-nitrophenyl methyl sulfone","","","","","","","","","","","","","","","","","","","","4-chloro-3-nitrophenyl methyl sulfone","","CS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]","JAANTSGNTKWLFA-UHFFFAOYSA-N","66796",NA,"PDBC23792","25818","Present"
-"4-Chloro-3H-triazolo[4,5-g]quinoline","","","","","","","","","","","","","","","","","","","","4-Chloro-3H-triazolo[4,5-g]quinoline","","C1=CC2=CC3=NNN=C3C(=C2N=C1)Cl","LUZPZOHDHGKEEU-UHFFFAOYSA-N","391196",NA,"PDBC23793","690029","Present"
-"4-Chloro-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl 1-phenyl-1H-tetraazol-5-yl sulfide","","","","","","","","","","","","","","","","","","","","4-Chloro-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl 1-phenyl-1H-tetraazol-5-yl sulfide","","CC1(C2C1CC(C(C2)SC3=NN=NN3C4=CC=CC=C4)(C)Cl)C","OQEQNRBNOUUEML-UHFFFAOYSA-N","375779",NA,"PDBC23794","655932","Present"
-"4-Chloro-5,7-dinitro-1-oxido-2-(2,4,6-trinitrophenyl)quinazolin-1-ium","","","","","","","","","","","","","","","","","","","","4-Chloro-5,7-dinitro-2-(2,4,6-trinitrophenyl)quinazoline...","","C1=C(C=C(C2=C1[N+](=C(N=C2Cl)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]","WBTJQXXIBIXQKG-UHFFFAOYSA-N","496006",NA,"PDBC23795","676534","Present"
-"4-Chloro-5-(4-chlorophenylcarbamoyl)-2-mercapto-N-(8-chloro-6-trifluoromethyl-1,4-triazolo[4,3-a]pyrid-3-yl)benzenesul fonamide","","","","","","","","","","","","","","","","","","","","4-chloro-5-(4-chlorophenylcarbamoyl)-2-mercapto-N-(8-chl...","","C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)NC3=NN=C4N3C=C(C=C4Cl)C(F)(F)F)Cl","OLTBQEDLKGFSTL-UHFFFAOYSA-N","404441",NA,"PDBC23796","720646","Present"
-"4-Chloro-5-(pyridin-2-ylthio)-3H-1,2-dithiole-3-thione","","","","","","","","","","","","","","","","","","","","4-Chloro-5-(pyridin-2-ylthio)-3H-1,2-dithiole-3-thione","","C1=CC=NC(=C1)SC2=C(C(=S)SS2)Cl","BCKPAYQKJKNEJU-UHFFFAOYSA-N","16766538",NA,"PDBC23797","729183","Present"
-"4-Chloro-5-butyl-5,6-dihydrobenzo[c][2,7]naphthyridine","","","","","","","","","","","","","","","","","","","","5-Butyl-4-chloro-5,6-dihydrobenzo[c][2,7]naphthyridine","","CCCCC1C2=C(C=CN=C2Cl)C3=CC=CC=C3N1","TULOOINHMOTZBC-UHFFFAOYSA-N","403406",NA,"PDBC23798","718207","Present"
-"4-Chloro-5-ethoxy-3-(trichloromethyl)isothiazole","","","","","","","","","","","","","","","","","","","","4-Chloro-5-ethoxy-3-(trichloromethyl)isothiazole","","CCOC1=C(C(=NS1)C(Cl)(Cl)Cl)Cl","AEGOAPMRBFROFA-UHFFFAOYSA-N","379919",NA,"PDBC23799","665111","Present"
-"4-Chloro-5-hydrazino-2-phenyl-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","ZX-AT023330","","C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NN)Cl","IQWBJSGIFJQBLQ-UHFFFAOYSA-N","250022",NA,"PDBC23800","69010","Present"
-"4-Chloro-5-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]-3,4-dihydro-2H-1lambda5-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-Chloro-3-methyl-1-(2,4,6-triisopropylphenyl)-1$l5-phosphacyclohex-2-ene 1-oxide","","CC1=CP(=O)(CCC1Cl)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C","YKROHLMVDKALAU-UHFFFAOYSA-N","398925",NA,"PDBC23801","709159","Present"
-"4-Chloro-5-methyl-2-(2-propynylthio)-N-(1,3-benzoxazol-2-yl) benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-2-(2-propynylthio)-N-(1,3-benzoxazol-2...","","CC1=CC(=C(C=C1Cl)SCC#C)S(=O)(=O)NC2=NC3=CC=CC=C3O2","RNJYNEHBKFFBCX-UHFFFAOYSA-N","24205036",NA,"PDBC23802","734049","Present"
-"4-Chloro-5-methyl-2-(4-nitrophenylhydrazone-N-benzylidenethi o)benzenesulfonylcyanamide potassium salt","","","","","","","","","","","","","","","","","","","","4-chloro-5-methyl-2-(4-nitrophenylhydrazone-N-benzyliden...","","CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)S(=O)(=O)NC#N.[K+]","NIVFIRLXPLDKQD-AURQPEIRSA-N","54612547",NA,"PDBC23803","723153","Present"
-"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(2-naphtylidenethio)]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(2-naphtyl...","","CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4C=C3)S(=O)(=O)N","DHMLISYVBDUBAE-COOPMVRXSA-N","9572725",NA,"PDBC23804","724877","Present"
-"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(3-methylbutylidenethio)]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(3-methylb...","","CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])CC(C)C)S(=O)(=O)N","XZOMRMQWAWFWCJ-PYCFMQQDSA-N","9572726",NA,"PDBC23805","724878","Present"
-"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-hydroxybenzylidenethio)]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-hydroxy...","","CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)O)S(=O)(=O)N","QPZQXOBQZDHODX-GFMRDNFCSA-N","135436457",NA,"PDBC23806","724875","Present"
-"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methoxybenzylidenethio)]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methoxy...","","CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)S(=O)(=O)N","XCUYMSJMZMQDSE-DAFNUICNSA-N","9572723",NA,"PDBC23807","724874","Present"
-"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methylbenzylidenethio]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methylb...","","CC1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N","KRBYHTCXVMIRSC-DAFNUICNSA-N","9572722",NA,"PDBC23808","724873","Present"
-"4-Chloro-5-methyl-2-sulfanyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-2-sulfanyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCCCN2","GRGAGWYKXFSYLN-UHFFFAOYSA-N","384325",NA,"PDBC23809","674009","Present"
-"4-Chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2N=CC4=CC=CC=C43","BDZLQPPZJGDKHC-UHFFFAOYSA-N","384313",NA,"PDBC23810","673997","Present"
-"4-Chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-1-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-1-yl)benzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C4=CC=CC=C4N=C3","KKKIACIFDYADPQ-UHFFFAOYSA-N","384314",NA,"PDBC23811","673998","Present"
-"4-Chloro-5-methyl-N-(4-phenyl-3,4-dihydroquinazolin-2-yl)-2-sulfanyl-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dihydro-4-phenylquinazoline-2-yl)-2-mercapto-4-chloro-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(C3=CC=CC=C3N2)C4=CC=CC=C4","CNGIIHARYNMZFO-UHFFFAOYSA-N","397058",NA,"PDBC23812","704340","Present"
-"4-Chloro-5-morpholin-4-yl-3H-1,2-dithiole-3-thione","","","","","","","","","","","","","","","","","","","","4-Chloro-5-morpholin-4-yl-3H-1,2-dithiole-3-thione","","C1COCCN1C2=C(C(=S)SS2)Cl","LTTNJFJAUVHRIC-UHFFFAOYSA-N","15618494",NA,"PDBC23813","729185","Present"
-"4-Chloro-5-nitro-1H-indazole","","","","","","","","","","","","","","","","","","","","4-Chloro-5-nitro-1H-indazole","","C1=CC(=C(C2=C1NN=C2)Cl)[N+](=O)[O-]","AXZCWGUWGPLXOR-UHFFFAOYSA-N","393038",NA,"PDBC23814","694316","Present"
-"4-Chloro-5-phenoxy-3H-1,2-dithiole-3-thione","","","","","","","","","","","","","","","","","","","","4-Chloro-5-phenoxy-3H-1,2-dithiole-3-thione","","C1=CC=C(C=C1)OC2=C(C(=S)SS2)Cl","LEPYFTHFMLZGBB-UHFFFAOYSA-N","16766044",NA,"PDBC23815","729184","Present"
-"4-Chloro-6,11-dimethyl-6,11-dihydro-5H-pyrimido[4,5-b][1]benzoazepine","","","","","","","","","","","","","","","","","","","","4-chloro-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrimido[...","","CC1CC2=C(N=CN=C2Cl)N(C3=CC=CC=C13)C","LPHPJTDOJIUSTN-UHFFFAOYSA-N","132917070",NA,"PDBC23816","782533","Present"
-"4-Chloro-6,7,8-triethoxyquinazoline","","","","","","","","","","","","","","","","","","","","4-Chloro-6,7,8-triethoxyquinazoline","","CCOC1=C(C(=C2C(=C1)C(=NC=N2)Cl)OCC)OCC","YJGWAHWRTHRYHP-UHFFFAOYSA-N","330473",NA,"PDBC23817","319079","Present"
-"4-Chloro-6,7-dimethoxy-2-(2-thienyl)quinazoline","","","","","","","","","","","","","","","","","","","","4-chloro-6,7-dimethoxy-2-(2-thienyl)quinazoline","","COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)Cl)OC","APNDCSCXLJEJSH-UHFFFAOYSA-N","405769",NA,"PDBC23818","723412","Present"
-"4-Chloro-6,8,11-trimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","4-chloro-6,8,11-trimethyl-6,11-dihydro-5H-benzo[b]pyrimi...","","CC1CC2=C(N=CN=C2Cl)N(C3=C1C=C(C=C3)C)C","CAKMJCJYSOJDCM-UHFFFAOYSA-N","155808820",NA,"PDBC23819","782535","Present"
-"4-Chloro-6-((3-methylenecyclobutyl)methoxy)-2-pyrimidinamine","","","","","","","","","","","","","","","","","","","","4-Chloro-6-((3-methylenecyclobutyl)methoxy)-2-pyrimidinamine","","C=C1CC(C1)COC2=CC(=NC(=N2)N)Cl","SSQRIXRMXORZNC-UHFFFAOYSA-N","385274",NA,"PDBC23820","676385","Present"
-"4-Chloro-6-(diethylamino)-N,N-diethyl-2-oxo-2H-pyran-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-Chloro-6-(diethylamino)-N,N-diethyl-2-oxo-2H-pyran-3-carboxamide","","CCN(CC)C1=CC(=C(C(=O)O1)C(=O)N(CC)CC)Cl","VRVIOKFIBFDHJU-UHFFFAOYSA-N","375434",NA,"PDBC23821","655157","Present"
-"4-Chloro-6-(phenyldiazenyl)-2-pyrimidinamine","","","","","","","","","","","","","","","","","","","","4-Chloro-6-(phenyldiazenyl)-2-pyrimidinamine","","C1=CC=C(C=C1)N=NC2=CC(=NC(=N2)N)Cl","RQBARAQDBABCMM-UHFFFAOYSA-N","387683",NA,"PDBC23822","681709","Present"
-"4-Chloro-6-propylsulfanylpyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-Chloro-6-(propylsulfanyl)pyrimidin-2-amine","","CCCSC1=CC(=NC(=N1)N)Cl","WNAYBJUQBFQPPT-UHFFFAOYSA-N","237629",NA,"PDBC23823","41323","Present"
-"4-Chloro-8-methoxy-2,6,11-trimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","4-chloro-8-methoxy-2,6,11-trimethyl-6,11-dihydro-5H-benz...","","CC1CC2=C(N=C(N=C2Cl)C)N(C3=C1C=C(C=C3)OC)C","WPLWGOVJGCMCNE-UHFFFAOYSA-N","155810275",NA,"PDBC23824","782539","Present"
-"4-Chloro-8-methoxy-6,11-dimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","4-chloro-8-methoxy-6,11-dimethyl-6,11-dihydro-5H-benzo[b...","","CC1CC2=C(N=CN=C2Cl)N(C3=C1C=C(C=C3)OC)C","PQUFKMXLZLNEQG-UHFFFAOYSA-N","155810218",NA,"PDBC23825","782537","Present"
-"4-Chloro-N''-guanidino-N-phenylimino-benzamidine","","","","","","","","","","","","","","","","","","","","4-chloro-N''-guanidino-N-phenylimino-benzamidine","","C1=CC=C(C=C1)N=NC(=NN=C(N)N)C2=CC=C(C=C2)Cl","JFIGKXRBONWCTJ-IWHPYAIPSA-N","6145975",NA,"PDBC23826","117353","Present"
-"4-Chloro-N'-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)benzohydrazide","","","","","","","","","","","","","","","","","","","","4-Chloro-N'-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)benzohydrazide","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=CC=C(C=C3)Cl","ZFTUJVILWGKJFN-CIAFOILYSA-N","9571389",NA,"PDBC23827","651699","Present"
-"4-Chloro-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Chloro-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide","","CC(=NNS(=O)(=O)C1=CC=C(C=C1)Cl)CN2C(=O)C3=CC=CC=C3C2=O","UGYNQLYSUIBXKM-YBFXNURJSA-N","9555864",NA,"PDBC23828","643513","Present"
-"4-Chloro-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Chloro-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)benzenesulfonohydrazide","","C1=CC=C2C(=C1)C(=O)N(C2=O)CC=NNS(=O)(=O)C3=CC=C(C=C3)Cl","LBUPSHDEHNNVLU-GIJQJNRQSA-N","9555825",NA,"PDBC23829","637082","Present"
-"4-Chloro-N'-(2-hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Chloro-N'-(2-hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)benzenesulfonohydrazide","","C1=CC(=CC=C1S(=O)(=O)NN=CC2=C(C(=CC(=C2)I)[N+](=O)[O-])O)Cl","LCZSKHLJRWMJIU-FRKPEAEDSA-N","135429934",NA,"PDBC23830","620304","Present"
-"4-Chloro-N'-(4,6-dioxo-1H-pyrimidin-2-yl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Chloro-N'-(4,6-dioxo-1H-pyrimidin-2-yl)benzenesulfonohydrazide","","C1C(=O)NC(=NNS(=O)(=O)C2=CC=C(C=C2)Cl)NC1=O","MSVUIFJLFKHHEV-UHFFFAOYSA-N","135450453",NA,"PDBC23831","687819","Present"
-"4-Chloro-N'-(methylsulfonyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Chloro-N'-(methylsulfonyl)benzenesulfonohydrazide","","CS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Cl","TVUKCEGAUXTDJL-UHFFFAOYSA-N","367385",NA,"PDBC23832","637074","Present"
-"4-Chloro-N'-[(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)amino]benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N'-[(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)amino]benzenecarboximidamide","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NN=C(C3=CC=C(C=C3)Cl)N","HULABASVAFSTPH-UHFFFAOYSA-N","54608683",NA,"PDBC23833","674021","Present"
-"4-Chloro-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-Chloro-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine","","CC1=C(OC2=C1C(=NC(=N2)N(C)C)Cl)C","XFJDQRNARUDJLO-UHFFFAOYSA-N","389700",NA,"PDBC23834","686266","Present"
-"4-Chloro-N,N-dimethyl-5,6-diphenylfuro[2,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-Chloro-N,N-dimethyl-5,6-diphenylfuro[2,3-d]pyrimidin-2-amine","","CN(C)C1=NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C(=N1)Cl","FIJYMEBCCPHXOU-UHFFFAOYSA-N","389705",NA,"PDBC23835","686271","Present"
-"4-Chloro-N-((1Z)-hydrazino{2-[6-(trifluoromethyl)pyridin-2-yl]hydrazino}methylene)-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","1-Amino-2-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-3-[[6-(trifluoromethyl)pyridin-2-yl]amino]guanidine","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C(NN)NNC2=CC=CC(=N2)C(F)(F)F","UJSGNXMWDWTENE-UHFFFAOYSA-N","6053269",NA,"PDBC23836","674008","Present"
-"4-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline","","","","","","","","","","","","","","","","","","","","4-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline","","CC1=CC2=C(C=C1)N=C(C=C2C)C=NC3=CC=C(C=C3)Cl","BZLYNWGDDQRWPR-UHFFFAOYSA-N","381036",NA,"PDBC23837","667057","Present"
-"4-Chloro-N-((4-methyl-1-piperazinyl)carbothioyl)-N-phenylbenzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-((4-methyl-1-piperazinyl)carbothioyl)-N-phenylbenzamide","","CN1CCN(CC1)C(=S)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl","PCOLAADUXHPBDI-UHFFFAOYSA-N","376049",NA,"PDBC23838","656448","Present"
-"4-Chloro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)Cl","BYNHVIFASNCTLV-UHFFFAOYSA-N","369938",NA,"PDBC23839","642305","Present"
-"4-Chloro-N-(1,3-dibenzylimidazolidin-2-ylidene)-5-methyl-2-sulfanyl-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(1,3-dibenzylimidazolidin-2-ylidene)-5-methyl-2-sulfanyl-benzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C2N(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4","PWFWRTNVGBAAPG-UHFFFAOYSA-N","397056",NA,"PDBC23840","704338","Present"
-"4-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline","","CC(=NC1=CC=C(C=C1)Cl)C2=CC=NC=C2","XSSPWQZOHMSJKP-UHFFFAOYSA-N","383457",NA,"PDBC23841","671843","Present"
-"4-Chloro-N-(1-methyl-3-((triphenylphosphoranylidene)hydrazono)-1,3-dihydro-2H-indol-2-ylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(NZ)-4-chloro-N-[(3E)-1-methyl-3-[(triphenyl-lambda5-phosphanylidene)hydrazinylidene]indol-2-ylidene]benzenesulfonamide","","CN1C2=CC=CC=C2C(=NN=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C1=NS(=O)(=O)C6=CC=C(C=C6)Cl","PILOWEQJHPUQKE-LRMUHLAZSA-N","9570052",NA,"PDBC23842","635980","Present"
-"4-Chloro-N-(1-pyridin-4-ylethyl)aniline","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[1-(4-pyridyl)ethyl]aniline","","CC(C1=CC=NC=C1)NC2=CC=C(C=C2)Cl","GNIUMVWWCXFKNZ-UHFFFAOYSA-N","383452",NA,"PDBC23843","671838","Present"
-"4-Chloro-N-(2-hydroxyethyl)benzamide","","","","","","","","","","","","","","","","","","","","DB08082","","C1=CC(=CC=C1C(=O)NCCO)Cl","GBARCMIFTACERW-UHFFFAOYSA-N","233979",NA,"PDBC23844","33145","Present"
-"4-Chloro-N-(3-oxo-1$l^{3},2-benziodoxol-1-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(3-oxo-1$l^{3},2-benziodoxol-1-yl)benzamide","","C1=CC=C2C(=C1)C(=O)OI2NC(=O)C3=CC=C(C=C3)Cl","XEARNOJGFKQFGY-UHFFFAOYSA-N","390372",NA,"PDBC23845","687714","Present"
-"4-Chloro-N-(3H-imidazo[1,5-a]benzimidazol-1-yl)-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(3H-imidazo[1,5-a]benzimidazol-1-yl)-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCC3=NC4=CC=CC=C4N32","PZPKZGOUEZNQNG-UHFFFAOYSA-N","393937",NA,"PDBC23846","696909","Present"
-"4-Chloro-N-(3H-imidazo[4,5-b]pyridin-2-yl)-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(3H-imidazo[4,5-b]pyridin-2-yl)-2-mercapto-5-...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(N2)C=CC=N3","WLWSYRALDJIRQB-UHFFFAOYSA-N","397057",NA,"PDBC23847","704339","Present"
-"4-Chloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(trifluoromethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-chloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4...","","C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","UUIFTVPJXMQLLR-UHFFFAOYSA-N","56649573",NA,"PDBC23848","753188","Present"
-"4-Chloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(trifluoromethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-chloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4...","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","QAYJETRMHQAPHA-UHFFFAOYSA-N","56649575",NA,"PDBC23849","753187","Present"
-"4-Chloro-N-(4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=CN2C3=CC=C(C=C3)Cl","RNYNPYIWKBXRFL-UHFFFAOYSA-N","378479",NA,"PDBC23850","661079","Present"
-"4-Chloro-N-(4-methoxyphenyl)benzenesulfinamide","","","","","","","","","","","","","","","","","","","","ABBYNMLDUKOKRO-UHFFFAOYSA-N","","COC1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)Cl","ABBYNMLDUKOKRO-UHFFFAOYSA-N","385389",NA,"PDBC23851","676563","Present"
-"4-Chloro-N-(4-methylphenyl)-N-(3-{4-[(E)-(4-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanoyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(4-methylphenyl)-N-[3-[4-[(4-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanoyl]benzamide","","CC1=CC=C(C=C1)N(C(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)Cl","LVROGXZBMYMMQI-UHFFFAOYSA-N","370459",NA,"PDBC23852","643590","Present"
-"4-Chloro-N-(4-phenyl-1,2,5-oxadiazol-3-yl)dithiazol-5-imine","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(4-phenyl-1,2,5-oxadiazol-3-yl)dithiazol-5-imine","","C1=CC=C(C=C1)C2=NON=C2N=C3C(=NSS3)Cl","WCIRXCZEQPSVTH-UHFFFAOYSA-N","389851",NA,"PDBC23853","686483","Present"
-"4-Chloro-N-(5,5-dimethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(5,5-dimethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCC(CN2)(C)C","ZWNXHDMZYQHODZ-UHFFFAOYSA-N","384326",NA,"PDBC23854","674010","Present"
-"4-Chloro-N-(5-fluoro-3,4-dihydro-2-quinazolinyl)-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(5-fluoro-3,4-dihydro-2-quinazolinyl)-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCC3=C(N2)C=CC=C3F","ZRAASOQUDUYBQO-UHFFFAOYSA-N","393938",NA,"PDBC23855","696910","Present"
-"4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide","","C1=CC(=CC=C1C(=O)NCCCCCC(=O)NO)Cl","YYCQNZBMCNSCKG-UHFFFAOYSA-N","403373",NA,"PDBC23856","718168","Present"
-"4-Chloro-N-(5-imino-1-phenyl-2,5-dihydro-1H-1,2,4-triazol-3-yl)-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(5-Amino-1-phenyl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3","VSKAITXBYUPJDI-UHFFFAOYSA-N","384317",NA,"PDBC23857","674001","Present"
-"4-Chloro-N-(5-imino-1-pyridin-2-yl-2,5-dihydro-1H-1,2,4-triazol-3-yl)-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(5-Amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=CC=CC=N3","OGAWKMXCINNTTQ-UHFFFAOYSA-N","384318",NA,"PDBC23858","674002","Present"
-"4-Chloro-N-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)-5-methyl-2-sulfanyl-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)-5-methyl-2-sulfanyl-benzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(C3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4","UWGCENJWPDTUFD-UHFFFAOYSA-N","397059",NA,"PDBC23859","704341","Present"
-"4-Chloro-N-(6-chloro-7-methyl-1,4,2-benzodithiazin-3-yl)-N-(dimethylamino)benzesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(6-chloro-7-methyl-1,1-dioxo-1,4,2-benzodithi...","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(N(C)C)S(=O)(=O)C3=CC=C(C=C3)Cl","STCACWIWRZDSJT-UHFFFAOYSA-N","24206071",NA,"PDBC23860","740008","Present"
-"4-Chloro-N-(6-ethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(6-ethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-mercapto-5-methylbenzenesulfonamide","","CCC1CCN=C(N1)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)S","HDQWSHVXUAUTSK-UHFFFAOYSA-N","384327",NA,"PDBC23861","674011","Present"
-"4-Chloro-N-(N-(4-chlorophenyl)carbamohydrazonoyl)-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(N-(4-chlorophenyl)carbamohydrazonoyl)-2-merc...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NN","PJTZIWQOFDFWRU-UHFFFAOYSA-N","5480392",NA,"PDBC23862","674007","Present"
-"4-Chloro-N-[(4-chlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[(4-chlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","C1=CC(=CN=C1)CN(C(=O)C2=CC=C(C=C2)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)Cl","UOBPGGJCHDCLKU-UHFFFAOYSA-N","401367",NA,"PDBC23863","714679","Present"
-"4-Chloro-N-[(E)-(10-oxidoacridin-10-ium-9-yl)methyleneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","9-({(E)-[(4-Chlorophenyl)sulfonyl]diazenyl}methylidene)acridin-10(9H)-ol","","C1=CC=C2C(=C1)C(=CN=NS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4N2O","AKVQBPNDJHCEFA-UHFFFAOYSA-N","363211",NA,"PDBC23864","627889","Present"
-"4-Chloro-N-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]benzamide","","CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=NC3=C(N2)C=CC=N3","HQYIDNSWPZQGPD-AWQFTUOYSA-N","135417302",NA,"PDBC23865","719700","Present"
-"4-Chloro-N-[2,3-dichloro-1-[2-(4-methylphenyl)sulfonylhydrazinyl]-4-oxonaphthalen-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[2,3-dichloro-1-[2-(4-methylphenyl)sulfonylhydrazinyl]-4-oxonaphthalen-1-yl]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NNC2(C3=CC=CC=C3C(=O)C(=C2Cl)Cl)NS(=O)(=O)C4=CC=C(C=C4)Cl","YIXAWKDXQSCELM-UHFFFAOYSA-N","397611",NA,"PDBC23866","705953","Present"
-"4-Chloro-N-[2-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-chloro-N-(2-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyraz...","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)Cl","SUJWEJXITCOONA-UHFFFAOYSA-N","155807552",NA,"PDBC23867","783561","Present"
-"4-Chloro-N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-chloro-N-(2-(4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyrazo...","","COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCNS(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5","RMLXPAYQZCHNQK-UHFFFAOYSA-N","155809449",NA,"PDBC23868","783549","Present"
-"4-Chloro-N-[3-(4-chlorophenyl)quinoxalin-2-yl]-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-chloro-2-mercapto-5-methyl-N-[3-(4-chlorophenyl)quinox...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl","LPXHZSBXBCYGMB-UHFFFAOYSA-N","404442",NA,"PDBC23869","720647","Present"
-"4-Chloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide","","C1=CC(=CC=C1C(=O)NC2=C(C=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl","JCRIJYUMBLYPGI-UHFFFAOYSA-N","399370",NA,"PDBC23870","710078","Present"
-"4-Chloro-N-[3-(5-chloropyridin-2-yl)-1H-1,2,4-triazol-5-yl]-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[3-(5-chloropyridin-2-yl)-1H-1,2,4-triazol-5-yl]-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)C3=NC=C(C=C3)Cl","CBESXGIJMIPHAO-UHFFFAOYSA-N","384316",NA,"PDBC23871","674000","Present"
-"4-Chloro-N-[3-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-chloro-N-(3-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyraz...","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)Cl","UVTXIYNOQLNMPV-UHFFFAOYSA-N","155807426",NA,"PDBC23872","787091","Present"
-"4-Chloro-N-[3-furfuryl-3,4-dihydro-4-oxoquinazolin-3-yl)-2-m ercapto-5-methyl-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[3-furfuryl-3,4-dihydro-4-oxoquinazolin-3-yl)...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4","GWCWBBJIAQRAOI-UHFFFAOYSA-N","24202749",NA,"PDBC23873","725848","Present"
-"4-Chloro-N-[4-(4-chlorobenzoyl)-5-oxo-1,3,4-thiadiazol-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-(4-chlorobenzoyl)-5-oxo-1,3,4-thiadiazol-2-yl]benzamide","","C1=CC(=CC=C1C(=O)NC2=NN(C(=O)S2)C(=O)C3=CC=C(C=C3)Cl)Cl","GCLYTGCLKWDKCR-UHFFFAOYSA-N","399195",NA,"PDBC23874","709857","Present"
-"4-Chloro-N-[4-[2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC=CC=C5)Cl","VPDPUQBQBNFYPF-UHFFFAOYSA-N","402387",NA,"PDBC23875","716299","Present"
-"4-Chloro-N-[4-[2-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[2-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC=CS5)Cl","UMKKROJMEXWXGO-UHFFFAOYSA-N","402389",NA,"PDBC23876","716301","Present"
-"4-Chloro-N-[4-[2-[(Z)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[2-[(Z)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=CC4=CC=CC=C4O)Cl","JXNMNOVCKPZDFB-MXAYSNPKSA-N","135436255",NA,"PDBC23877","716294","Present"
-"4-Chloro-N-[4-[2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)C=NC2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)OC)O","IKPGTGWYZWKNEJ-ZMFRSBBQSA-N","135436256",NA,"PDBC23878","716296","Present"
-"4-Chloro-N-[4-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=CC=C5O)Cl","UKPHYSSKYLMCEI-UHFFFAOYSA-N","402393",NA,"PDBC23879","716305","Present"
-"4-Chloro-N-[4-[2-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[2-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","CC1C(=O)N(C(S1)C2=CC=CC=C2O)C3=NC(=CS3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC","USPHNCUDUYAUCJ-UHFFFAOYSA-N","402398",NA,"PDBC23880","716310","Present"
-"4-Chloro-N-[4-[2-[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[2-[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC=CC=C5O)Cl","YJVKYMHMLRIJPY-UHFFFAOYSA-N","402388",NA,"PDBC23881","716300","Present"
-"4-Chloro-N-[4-[2-[3-chloro-2-oxo-4-(3-phenoxyphenyl)azetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[2-[3-chloro-2-oxo-4-(3-phenoxyphenyl)azetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC(=CC=C5)OC6=CC=CC=C6)Cl","NMCVKFSTCRQUOH-UHFFFAOYSA-N","402390",NA,"PDBC23882","716302","Present"
-"4-Chloro-N-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N=CC4=CC=CC=C4O)Cl","PFTWHVVQCBYRMO-UHFFFAOYSA-N","402731",NA,"PDBC23883","716925","Present"
-"4-Chloro-N-[4-[4-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[4-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide","","CC1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC=C(C=C3)C4=CSC(=N4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC","GGLJBOVSAPXPSU-UHFFFAOYSA-N","402743",NA,"PDBC23884","716937","Present"
-"4-Chloro-N-[4-[4-[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[4-[4-[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide","","CC1C(=O)N(C(S1)C2=CC(=C(C=C2)O)OC)C3=CC=C(C=C3)C4=CSC(=N4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC","LKZUQZYDTLIUHD-UHFFFAOYSA-N","402744",NA,"PDBC23885","716938","Present"
-"4-Chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-{3-[(4-chlorophenyl)amino]-1H-1,2,4-triazol-5-yl}-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=C(C=C3)Cl","GRYIAOMDOBRKIU-UHFFFAOYSA-N","380929",NA,"PDBC23886","666715","Present"
-"4-Chloro-N-[5-oxo-4-(pyridine-3-carbonyl)-1,3,4-thiadiazol-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[5-oxo-4-(pyridine-3-carbonyl)-1,3,4-thiadiazol-2-yl]benzamide","","C1=CC(=CN=C1)C(=O)N2C(=O)SC(=N2)NC(=O)C3=CC=C(C=C3)Cl","WDIMPSVYDLVGSS-UHFFFAOYSA-N","401245",NA,"PDBC23887","714452","Present"
-"4-Chloro-N-[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C=C(C=C3C(F)(F)F)Cl","SMHTWIVCTDYRNM-UHFFFAOYSA-N","384310",NA,"PDBC23888","673994","Present"
-"4-Chloro-N-[8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F","AFTIRELMMNXEKC-UHFFFAOYSA-N","384309",NA,"PDBC23889","673993","Present"
-"4-Chloro-N-[[(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[[(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline","","C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=NN4C(=NN=C4S3)CNC5=CC=C(C=C5)Cl)C6=CC(=C(C=C6Cl)Cl)F)Cl","XGEGKMJJKHCDPJ-GATIEOLUSA-N","5472467",NA,"PDBC23890","719148","Present"
-"4-Chloro-N-[[5-[8-[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methyl]aniline","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[[5-[8-[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methyl]aniline","","C1=CC(=CC=C1NCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)CNC4=CC=C(C=C4)Cl)Cl","USJNAJVKQZGCKT-UHFFFAOYSA-N","395649",NA,"PDBC23891","700431","Present"
-"4-Chloro-N-[[5-[[3-chloro-4-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-1,3,4-oxadiazol-2-yl]methyl]aniline","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[[5-[[3-chloro-4-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-1,3,4-oxadiazol-2-yl]methyl]aniline","","C1=CC(=CC=C1NCC2=NN=C(O2)COC3=CC(=C(C=C3)OCC4=NN=C(O4)CNC5=CC=C(C=C5)Cl)Cl)Cl","GOOBLNIBQYYRPP-UHFFFAOYSA-N","403741",NA,"PDBC23892","719151","Present"
-"4-Chloro-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]aniline","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]aniline","","CCOP(=O)(C(C1=CC=C(C=C1)F)NC2=CC=C(C=C2)Cl)OCC","DHXFWTGNJAEWPY-UHFFFAOYSA-N","385491",NA,"PDBC23893","676740","Present"
-"4-Chloro-N-cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide","","C1CCC(CC1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)N3CCN(CC3)C4=CC=CC=N4","WRFVDCBWCNFYLJ-UHFFFAOYSA-N","376064",NA,"PDBC23894","656463","Present"
-"4-Chloro-N-cyclohexyl-N-(4-methylpiperazine-1-carbothioyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-cyclohexyl-N-(4-methylpiperazine-1-carbothioyl)benzamide","","CN1CCN(CC1)C(=S)N(C2CCCCC2)C(=O)C3=CC=C(C=C3)Cl","WDSIZBBDZCEKOQ-UHFFFAOYSA-N","376046",NA,"PDBC23895","656445","Present"
-"4-Chloro-N-cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide","","C1CCC(CC1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)N3CCN(CC3)C4=CC=CC=C4","SNLUEZLITDQYGH-UHFFFAOYSA-N","376055",NA,"PDBC23896","656454","Present"
-"4-Chloro-N-mesitylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-mesitylbenzenesulfinamide","","CC1=CC(=C(C(=C1)C)NS(=O)C2=CC=C(C=C2)Cl)C","LDBGOSHNIGEFLX-UHFFFAOYSA-N","375383",NA,"PDBC23897","655054","Present"
-"4-Chloro-N-methyl-2-(2-nitrophenyl)sulfonylaniline","","","","","","","","","","","","","","","","","","","","4-Chloro-N-methyl-2-[(2-nitrophenyl)sulfonyl]aniline","","CNC1=C(C=C(C=C1)Cl)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","AQASETCATFZLQH-UHFFFAOYSA-N","381407",NA,"PDBC23898","667952","Present"
-"4-Chloro-N-methyl-2-nitro-N-[(E)-4-quinolylmethyleneamino]aniline","","","","","","","","","","","","","","","","","","","","4-Chloro-N-methyl-2-nitro-N-[(E)-4-quinolylmethyleneamino]aniline","","CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N=CC2=CC=NC3=CC=CC=C23","JPLZHBVRIVEUKV-RGVLZGJSSA-N","9571424",NA,"PDBC23899","659332","Present"
-"4-Chloro-N-methyl-2-nitro-N-[(E)-8-quinolylmethyleneamino]aniline","","","","","","","","","","","","","","","","","","","","4-Chloro-N-methyl-2-nitro-N-[(E)-8-quinolylmethyleneamino]aniline","","CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N=CC2=CC=CC3=C2N=CC=C3","CGUAMIZVSFWBKM-RGVLZGJSSA-N","9571425",NA,"PDBC23900","659333","Present"
-"4-Chloro-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide","","CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=C(C=C1)Cl","KDBKOBDLYDLTPH-UHFFFAOYSA-N","368842",NA,"PDBC23901","640167","Present"
-"4-Chloro-N-methyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-methyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide","","CN(C(=O)C1=CC=C(C=C1)Cl)C(=S)N2CCN(CC2)C3=CC=CC=N3","ODPKTLWURVESGQ-UHFFFAOYSA-N","376061",NA,"PDBC23902","656460","Present"
-"4-Chloro-N-methyl-N-(4-methylpiperazine-1-carbothioyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-methyl-N-(4-methylpiperazine-1-carbothioyl)benzamide","","CN1CCN(CC1)C(=S)N(C)C(=O)C2=CC=C(C=C2)Cl","WCBMSMFDYLKMFF-UHFFFAOYSA-N","376043",NA,"PDBC23903","656442","Present"
-"4-Chloro-N-methyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-methyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide","","CN(C(=O)C1=CC=C(C=C1)Cl)C(=S)N2CCN(CC2)C3=CC=CC=C3","WAAPLZPLSTWVIN-UHFFFAOYSA-N","376052",NA,"PDBC23904","656451","Present"
-"4-Chloro-N-phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide","","C1CN(CCN1C2=CC=CC=N2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","LNSDKDWYQLUEIS-UHFFFAOYSA-N","376067",NA,"PDBC23905","656466","Present"
-"4-Chloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide","","C1CCN(CC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl","CWRGBKCHQVQJLG-UHFFFAOYSA-N","391215",NA,"PDBC23906","690112","Present"
-"4-Chloro-N-phenyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-phenyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide","","C1CN(CCN1C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","ODFWILWVXGXJRJ-UHFFFAOYSA-N","376058",NA,"PDBC23907","656457","Present"
-"4-Chloro-N-phenylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","4-Chloro-N-phenylbenzenesulfinamide","","C1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)Cl","GBJXBJOPDAAFBD-UHFFFAOYSA-N","385380",NA,"PDBC23908","676554","Present"
-"4-Chloro-n-(6-chloro-7-methyl-1,1-dioxo-1,4,2-benzodithiazin-3-yl)benzenesulfonamidate","","","","","","","","","","","","","","","","","","","","4-Chloro-N-(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)benzenesulfonamide","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NS(=O)(=O)C3=CC=C(C=C3)Cl","FSPSDFKNKUSJDP-UHFFFAOYSA-N","405682",NA,"PDBC23909","723139","Present"
-"4-Chlorobenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","4-Chlorobenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NN=CC4=CC=C(C=C4)Cl","NIGOYNDAWKIPBD-OEAKJJBVSA-N","9571455",NA,"PDBC23910","666360","Present"
-"4-Chlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone","","","","","","","","","","","","","","","","","","","","4-Chlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone","","CC1CCC2=C(C1)SC3=NC=NC(=C23)NN=CC4=CC=C(C=C4)Cl","SWYIRPDKBLMFEC-LSFURLLWSA-N","9555913",NA,"PDBC23911","653512","Present"
-"4-Chlorobenzene-1-sulfonic acid--cadmium (1/1)","","","","","","","","","","","","","","","","","","","","Cadmium;4-chlorobenzenesulfonic acid","","C1=CC(=CC=C1S(=O)(=O)O)Cl.[Cd]","AARFAEZMSJDYEF-UHFFFAOYSA-N","54603804",NA,"PDBC23912","13162","Present"
-"4-Chlorobenzoic acid (2-benzylidenecyclohexylidene)amino ester","","","","","","","","","","","","","","","","","","","","NSC629625","","C1CCC(=NOC(=O)C2=CC=C(C=C2)Cl)C(=CC3=CC=CC=C3)C1","RVMAFJBKFCVPEA-WZBLNXIKSA-N","6367748",NA,"PDBC23913","629625","Present"
-"4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate","","","","","","","","","","","","","","","","","","","","(4-Chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate","","CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]","VCBIEXLZPZYLOK-UHFFFAOYSA-N","236063",NA,"PDBC23914","38086","Present"
-"4-Chlorophenyl 3-(2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino)-1-phenyl-2-propenyl sulfide","","","","","","","","","","","","","","","","","","","","1-[(E)-3-(4-Chlorophenyl)sulfanyl-3-phenylprop-1-enyl]-2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazine","","C1=CC=C(C=C1)C2C(=NNC(=N2)NNC=CC(C3=CC=CC=C3)SC4=CC=C(C=C4)Cl)C5=CC=CC=C5","TZERWADBGZRHHE-QZQOTICOSA-N","5862201",NA,"PDBC23915","640631","Present"
-"4-Chlorophenyl 3-(4-methylbenzoyl)-2-oxo-3-butenoate","","","","","","","","","","","","","","","","","","","","4-Chlorophenyl 3-(4-methylbenzoyl)-2-oxo-3-butenoate","","CC1=CC=C(C=C1)C(=O)C(=C)C(=O)C(=O)OC2=CC=C(C=C2)Cl","NALSGSAXTMDTKI-UHFFFAOYSA-N","366801",NA,"PDBC23916","635573","Present"
-"4-Chlorophenyl-bis(2-hydroxy-1-naphthyl)methane","","","","","","","","","","","","","","","","","","","","ZX-AT029223","","C1=CC=C2C(=C1)C=CC(=C2C(C3=CC=C(C=C3)Cl)C4=C(C=CC5=CC=CC=C54)O)O","LQWQJJSAUKFOOO-UHFFFAOYSA-N","47966",NA,"PDBC23917","363003","Present"
-"4-Chlorophenylaminosulfonyl carbamic acid 2,4-dichlorobenzylester","","","","","","","","","","","","","","","","","","","","4-Chlorophenylaminosulfonyl carbamic acid 2,4-dichlorobe...","","C1=CC(=CC=C1NS(=O)(=O)NC(=O)OCC2=C(C=C(C=C2)Cl)Cl)Cl","BQWONWHDDKMKKD-UHFFFAOYSA-N","405107",NA,"PDBC23918","722061","Present"
-"4-Chloroquinolin-8-ol","","","","","","","","","","","","","","","","","","","","ACT01953","","C1=CC2=C(C=CN=C2C(=C1)O)Cl","DEPRJVQVGXOXRN-UHFFFAOYSA-N","384164",NA,"PDBC23919","673455","Present"
-"4-Chromanol","","","","","","","","","","","","","","","","","","","","4-Chromanol","","C1COC2=CC=CC=C2C1O","MGSHXMOLUWTMGP-UHFFFAOYSA-N","92890",NA,"PDBC23920","654113","Present"
-"4-Cuban-1-yl-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","4-Cuban-1-yl-1,2,4-triazole","","C1=NN=CN1C23C4C5C2C6C5C4C36","HGDGNRSTKUWLOT-UHFFFAOYSA-N","383857",NA,"PDBC23921","672599","Present"
-"4-Cuban-1-yl-1H-pyrazole","","","","","","","","","","","","","","","","","","","","4-Cuban-1-yl-1H-pyrazole","","C1=C(C=NN1)C23C4C5C2C6C5C4C36","LGHLSFXNRSVCLU-UHFFFAOYSA-N","383859",NA,"PDBC23922","672601","Present"
-"4-Cyano-2,6,8-tris(2,2-dimethylpropanoyl)-N,N-diisopropyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","4-Cyano-2,6,8-tris(2,2-dimethylpropanoyl)-N,N-diisopropyl-1-cubanecarboxamide","","CC(C)N(C(C)C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)C(C)(C)C)C#N)C(=O)C(C)(C)C)C(=O)C(C)(C)C","HACXXDNMYQPGGH-UHFFFAOYSA-N","386910",NA,"PDBC23923","679811","Present"
-"4-Cyano-2,6-diiodo-N,N-diisopropyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","4-Cyano-2,6-diiodo-N,N-diisopropyl-1-cubanecarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25I)C#N)I","ZQAYMOXEXYPXDC-UHFFFAOYSA-N","369204",NA,"PDBC23924","640910","Present"
-"4-Cyano-N,N-diisopropyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","4-Cyano-N,N-diisopropyl-1-cubanecarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C#N","MYHHWNFVUMZQFI-UHFFFAOYSA-N","369216",NA,"PDBC23925","640922","Present"
-"4-Cyano-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-Cyano-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)C#N","PCAROGRDFPJYNB-UHFFFAOYSA-N","369943",NA,"PDBC23926","642310","Present"
-"4-Cyano-N-isopropyl-N-methyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","4-Cyano-N-isopropyl-N-methyl-1-cubanecarboxamide","","CC(C)N(C)C(=O)C12C3C4C1C5C2C3C45C#N","AONROARTWYDPPF-UHFFFAOYSA-N","386906",NA,"PDBC23927","679806","Present"
-"4-Cyanomethyl-1-methyl-4H-pyrazolo[1,5-a]indolium trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","4-Cyanomethyl-1-methyl-4H-pyrazolo[1,5-a]indolium triflu...","","C[N+]1=CC=C2N1C3=CC=CC=C3C2=CC#N.C(F)(F)(F)S(=O)(=O)[O-]","WTCDPFCXHYDEBD-AVHZNCSWSA-M","5472727",NA,"PDBC23928","721153","Present"
-"4-Cyanpyyridinium-trans-tetrachlorobis-4- cyanpyridineru...","","","","","","","","","","","","","","","","","","","","4-Cyanpyyridinium-trans-tetrachlorobis-4- cyanpyridineru...","","","","",NA,"PDBC23929","630135","Present"
-"4-Cycloheptyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","antineoplastic-376265","","CC(=NNC(=S)N1CCN(CC1)C2CCCCCC2)C3=CC=CC=N3","ZGAVNXQAROBPJG-LTGZKZEYSA-N","5351332",NA,"PDBC23930","376265","Present"
-"4-Cyclohexene-1,2-diethanol, 1,2-dimethoxy-","","","","","","","","","","","","","","","","","","","","4-Cyclohexene-1,2-diethanol, 1,2-dimethoxy-","","COC1(CC=CCC1(CCO)OC)CCO","NYEKRPWBZXTXCS-UHFFFAOYSA-N","382551",NA,"PDBC23931","670161","Present"
-"4-Cyclopentyl-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Cyclopentyl-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1C2CCCC2","XNILONKCNMYXMA-UHFFFAOYSA-N","386151",NA,"PDBC23932","677783","Present"
-"4-Cyclopentylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","","","","","","","","","","","","","","","","","","","4-Cyclopentylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","C1CCC(C1)N=C2C3CSCN3C(=S)C4=CC=CC=C4N2","GEPQSGXJJZUBOE-UHFFFAOYSA-N","135442870",NA,"PDBC23933","683489","Present"
-"4-Cyclopropyl-1-methyl-1-oxido-piperidin-1-ium-4-ol","","","","","","","","","","","","","","","","","","","","4-Cyclopropyl-1-methyl-1-oxido-piperidin-1-ium-4-ol","","C[N+]1(CCC(CC1)(C2CC2)O)[O-]","GZWQDZXTVKOLCT-UHFFFAOYSA-N","388485",NA,"PDBC23934","683440","Present"
-"4-Cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1C2CC2","OLMQFIGUQCDKMI-UHFFFAOYSA-N","384779",NA,"PDBC23935","675215","Present"
-"4-Dedimethylamino-6-demethyl-6-deoxytetracycline","","","","","","","","","","","","","","","","","","","","COL-3","","C1C2CC3=C(C(=CC=C3)O)C(=C2C(=O)C4(C1CC(=O)C(=C4O)C(=O)N)O)O","NBRQRXRBIHVLGI-BKMMKEHRSA-N","54679015",NA,"PDBC23936","683551","Present"
-"4-Demethoxyadriamycin HCl","","","","","","","","","","","","","","","","","","","","Medorubicin","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)N)O","XVXGYZFARCOVHS-UHFFFAOYSA-N","68837",NA,"PDBC23937","256438","Present"
-"4-Demethylcalycopterone","","","","","","","","","","","","","","","","","","","","4-Demethylcalycopterone","","COC1=C2C(=C3C(=C1O)C4(C(=C(C(=O)C5=CCC(OC54O3)C6=CC=CC=C6)OC)OC)OC)C(CC(O2)C7=CC=CC=C7)O","FYCQGQNQVPLKBH-HRVMIWGTSA-N","101664523",NA,"PDBC23938","665529","Present"
-"4-Di(propan-2-yloxy)phosphoryl-3-N-phenyl-1H-pyrazole-3,5-diamine","","","","","","","","","","","","","","","","","","","","4-Di(propan-2-yloxy)phosphoryl-3-N-phenyl-1H-pyrazole-3,5-diamine","","CC(C)OP(=O)(C1=C(NN=C1NC2=CC=CC=C2)N)OC(C)C","ZBGWFJADAARBKT-UHFFFAOYSA-N","396780",NA,"PDBC23939","703559","Present"
-"4-Diazenyl-N,1-bis(3,4-dimethylphenyl)-2,5-dioxopyrrolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-Diazenyl-N,1-bis(3,4-dimethylphenyl)-2,5-dioxopyrrolidine-3-carboxamide","","CC1=C(C=C(C=C1)NC(=O)C2C(C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)N=N)C","PJBMAGIDIGOEOY-UHFFFAOYSA-N","358530",NA,"PDBC23940","618538","Present"
-"4-Dibenzothiophen-2-yl-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-dibenzo[b,d]thien-2-yl-4-oxobutanoic acid","","C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)CCC(=O)O","UBCRYOFHBJOPSS-UHFFFAOYSA-N","266944",NA,"PDBC23941","105900","Present"
-"4-Dichloromethylene-3,5-dimethyl-1-propyl-4h-phosphinine 1-oxide","","","","","","","","","","","","","","","","","","","","4-(Dichloromethylidene)-3,5-dimethyl-1-propyl-1,4-dihydrophosphinine 1-oxide","","CCCP1(=O)C=C(C(=C(Cl)Cl)C(=C1)C)C","RRNRVVHZSFOCGF-UHFFFAOYSA-N","368397",NA,"PDBC23942","639388","Present"
-"4-Dimethoxyphosphoryl-3-methyl-5aH-furo[2,3-g][1,2]benzoxazol-5-one","","","","","","","","","","","","","","","","","","","","4-Dimethoxyphosphoryl-3-methyl-5aH-furo[2,3-g][1,2]benzoxazol-5-one","","CC1=NOC2=C3C=COC3C(=O)C(=C12)P(=O)(OC)OC","XKNUIBZYIZELAU-UHFFFAOYSA-N","388271",NA,"PDBC23943","682885","Present"
-"4-Dimethylamino-2-methylsulfanylbenzo[4,5]imidazo[2,1-b]pyrimido[5,4-f]-[1,3,4]thiadazepine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-5-methylsulfanyl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine","","CN(C)C1=C2C=NN3C4=CC=CC=C4N=C3SC2=NC(=N1)SC","LPZFNPDRUPIZGY-UHFFFAOYSA-N","394380",NA,"PDBC23944","697780","Present"
-"4-Dipentylcarbamoyl-4-[(1H-indole-2-carbonyl)-amino]-butyric acid","","","","","","","","","","","","","","","","","","","","(R)-4-Dipentylcarbamoyl-4-[(1H-indole-2-carbonyl)-amino]-butyric acid","","CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC2=CC=CC=C2N1","ZCLCUGHPNSTPGZ-FQEVSTJZSA-N","367893",NA,"PDBC23945","638070","Present"
-"4-Epi-7-aza-phomopsolide E","","","","","","","","","","","","","","","","","","","","4-Epi-7-aza-phomopsolide E","","CC=C(C)C(=O)OC1C=CC(=O)OC1CNC(=O)C(C)O","XZYKRDKKCJVLNQ-LYDMWOGYSA-N","45028013",NA,"PDBC23946","740608","Present"
-"4-Epi-7-oxo-phomopsolide E","","","","","","","","","","","","","","","","","","","","4-Epi-7-oxo-phomopsolide E","","CC=C(C)C(=O)OC1C=CC(=O)OC1COC(=O)C(C)O","FKBITCOIJAFLNT-LYDMWOGYSA-N","11231822",NA,"PDBC23947","740605","Present"
-"4-Ethenyl-4a-hydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one","","","","","","","","","","","","","","","","","","","","4-Ethenyl-4a-hydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one","","C=CC1C(OC=C2C1(CCOC2=O)O)CC3C(C(C(C(O3)CO)O)O)O","CJBJSMYPBGZCNN-UHFFFAOYSA-N","24205264",NA,"PDBC23948","734791","Present"
-"4-Ethoxy-2-[(4-fluorophenyl)methyl]-3,9a-dihydrobenzo[f]benzimidazol-9-one","","","","","","","","","","","","","","","","","","","","9-Ethoxy-2-(4-fluorobenzyl)-1,3a-dihydro-4H-naphtho[2,3-d]imidazol-4-one","","CCOC1=C2C(C(=O)C3=CC=CC=C31)N=C(N2)CC4=CC=C(C=C4)F","IRRZZIBFWBREMM-UHFFFAOYSA-N","372059",NA,"PDBC23949","646922","Present"
-"4-Ethoxy-3,4-dihydro-1,3-benzoxazin-2-one","","","","","","","","","","","","","","","","","","","","2H-1,3-Benzoxazin-2-one, 3,4-dihydro-4-ethoxy-","","CCOC1C2=CC=CC=C2OC(=O)N1","HHYYBXQYHOIQMU-UHFFFAOYSA-N","335807",NA,"PDBC23950","347194","Present"
-"4-Ethoxy-3,4-dihydrobenzo[g][1,3]benzoxazin-2-one","","","","","","","","","","","","","","","","","","","","4-Ethoxy-3,4-dihydro-2H-naphtho[2,3-e][1,3]oxazin-2-one","","CCOC1C2=CC3=CC=CC=C3C=C2OC(=O)N1","RKAJAMTWZXNAJC-UHFFFAOYSA-N","378323",NA,"PDBC23951","660332","Present"
-"4-Ethoxy-3-nitropyridine","","","","","","","","","","","","","","","","","","","","AK-27244","","CCOC1=C(C=NC=C1)[N+](=O)[O-]","ABOSMHRLVUWEMT-UHFFFAOYSA-N","356305",NA,"PDBC23952","611545","Present"
-"4-Ethoxy-6,7,8,9,9a,9b-hexahydrobenzo[e][2]benzofuran-1,3-dione","","","","","","","","","","","","","","","","","","","","4-Ethoxy-6,7,8,9,9a,9b-hexahydrobenzo[e][2]benzofuran-1,3-dione","","CCOC1=C2C(C3CCCCC3=C1)C(=O)OC2=O","XXIFVSPMJQCNLY-UHFFFAOYSA-N","359542",NA,"PDBC23953","620525","Present"
-"4-Ethoxy-6H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepin-6-ol","","","","","","","","","","","","","","","","","","","","4-Ethoxy-6H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepin-6-ol","","CCOC1=NC(C2=CC=CN2C3=C1C=CS3)O","UWQRMWHFXYIHDQ-UHFFFAOYSA-N","392649",NA,"PDBC23954","693228","Present"
-"4-Ethoxy-9-(4-ethoxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","","","","","","","","","","","","","","","","","","","4-Ethoxy-9-(4-ethoxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","CCOC1=C2CC3COC(=O)C3C(C2=CC4=C1OCO4)C5=CC(=C(C(=C5)OC)OCC)OC","NXYKCHNYALSBOK-UHFFFAOYSA-N","234897",NA,"PDBC23955","35729","Present"
-"4-Ethoxy-N-((6-methyl-2-quinolinyl)methylene)aniline","","","","","","","","","","","","","","","","","","","","4-Ethoxy-N-((6-methyl-2-quinolinyl)methylene)aniline","","CCOC1=CC=C(C=C1)N=CC2=NC3=C(C=C2)C=C(C=C3)C","BMLYKYGVFJCHFP-UHFFFAOYSA-N","364425",NA,"PDBC23956","630685","Present"
-"4-Ethoxy-N-(2-quinolinylmethylene)aniline","","","","","","","","","","","","","","","","","","","","4-Ethoxy-N-(2-quinolinylmethylene)aniline","","CCOC1=CC=C(C=C1)N=CC2=NC3=CC=CC=C3C=C2","FDYFZVWSVYVMEW-UHFFFAOYSA-N","364173",NA,"PDBC23957","629873","Present"
-"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline","","","","","","","","","","","","","","","","","","","","4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline","","CCOC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC","KEWFCLDAAYJNMJ-UHFFFAOYSA-N","373806",NA,"PDBC23958","650769","Present"
-"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride","","","","","","","","","","","","","","","","","","","","4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride","","CCOC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","UJHYHKHPOOTHGZ-UHFFFAOYSA-N","373807",NA,"PDBC23959","650770","Present"
-"4-Ethoxy-N-(3,4,5-trimethoxybenzylene)aniline","","","","","","","","","","","","","","","","","","","","4-Ethoxy-N-(3,4,5-trimethoxybenzylene)aniline","","CCOC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","WMJHLUPXBDYNAF-UHFFFAOYSA-N","373990",NA,"PDBC23960","651020","Present"
-"4-Ethoxy-N-(4-quinolinylmethylene)aniline","","","","","","","","","","","","","","","","","","","","Benzenamine, 4-ethoxy-N-[(4-quinolinyl)methylene]-","","CCOC1=CC=C(C=C1)N=CC2=CC=NC3=CC=CC=C23","HNKJPQCVXNNDLM-UHFFFAOYSA-N","364174",NA,"PDBC23961","629874","Present"
-"4-Ethoxy-N-(8-quinolinylmethylene)aniline","","","","","","","","","","","","","","","","","","","","4-Ethoxy-N-(8-quinolinylmethylene)aniline","","CCOC1=CC=C(C=C1)N=CC2=CC=CC3=C2N=CC=C3","NLBORTCRDYWWKY-UHFFFAOYSA-N","364175",NA,"PDBC23962","629875","Present"
-"4-Ethoxycarbonylbenzo[b]thieno[17,3,5(10),16-tetraen-3-ol","","","","","","","","","","","","","","","","","","","","4-Ethoxycarbonylbenzo[b]thieno[17,16-d]-3-O-methyl-estra...","","CCOC(=O)C1=C2C(=C3C(=C1)CC4C3(CCC5C4CCC6=C5C=CC(=C6)OC)C)C=CS2","YDMYQQIQHVFNBA-UHFFFAOYSA-N","24205470",NA,"PDBC23963","735844","Present"
-"4-Ethyl-1-methyl-2,6-diphenylpiperidin-4-ol","","","","","","","","","","","","","","","","","","","","4-Ethyl-1-methyl-2,6-diphenylpiperidin-4-ol","","CCC1(CC(N(C(C1)C2=CC=CC=C2)C)C3=CC=CC=C3)O","IQHJPMRZLRSPJV-UHFFFAOYSA-N","336678",NA,"PDBC23964","351667","Present"
-"4-Ethyl-12-methoxy-3,4-dihydro-2H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridine","","","","","","","","","","","","","","","","","","","","4-Ethyl-12-methoxy-3,4-dihydro-2H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridine","","CCN1CCN=C2C3=C(C=CC(=C3)OC)N4C=NC5=C4C2=C1C=C5","RRXXWKSYGYUDSY-UHFFFAOYSA-N","377155",NA,"PDBC23965","658357","Present"
-"4-Ethyl-2,2,5,5-tetramethyl-3-oxido-1H-imidazol-3-ium","","","","","","","","","","","","","","","","","","","","4-Ethyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazole 3-oxide","","CCC1=[N+](C(NC1(C)C)(C)C)[O-]","NICLZPVFUAWUAZ-UHFFFAOYSA-N","379394",NA,"PDBC23966","663936","Present"
-"4-Ethyl-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile","","","","","","","","","","","","","","","","","","","","4-Ethyl-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile","","CCC1C(=C(NC(=C1C#N)O)O)C#N","CXLCHLGDOFLSSA-UHFFFAOYSA-N","366849",NA,"PDBC23967","635826","Present"
-"4-Ethyl-2,6-dimethyl-N,5-bis(2-methylphenyl)-1,4-dihydro-3-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","4-Ethyl-2,6-dimethyl-N,5-bis(2-methylphenyl)-1,4-dihydro-3-pyridinecarboxamide","","CCC1C(=C(NC(=C1C(=O)NC2=CC=CC=C2C)C)C)C3=CC=CC=C3C","UDMSAUKWVVBPKY-UHFFFAOYSA-N","366470",NA,"PDBC23968","634929","Present"
-"4-Ethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxolane","","","","","","","","","","","","","","","","","","","","4-Ethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxolane","","CCC1COC(O1)(C=C)C2=CC3=CC=CC=C3C=C2","TYNMRKHQEUSCGK-UHFFFAOYSA-N","383349",NA,"PDBC23969","671463","Present"
-"4-Ethyl-3-(methylamino)-5-propyl-1,1,2,2-cyclopentanetetracarbonitrile","","","","","","","","","","","","","","","","","","","","4-Ethyl-3-(methylamino)-5-propylcyclopentane-1,1,2,2-tetracarbonitrile","","CCCC1C(C(C(C1(C#N)C#N)(C#N)C#N)NC)CC","CBPMQDCQORYHLO-UHFFFAOYSA-N","387787",NA,"PDBC23970","681859","Present"
-"4-Ethyl-3-[4-[2-[4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-Ethyl-3-[4-[2-[4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione","","CCN1C(=NNC1=S)C2=CC=C(C=C2)NN=NC3=CC=C(C=C3)C4=NNC(=S)N4CC","OSYVDUIEHYXQPQ-UHFFFAOYSA-N","5472010",NA,"PDBC23971","715975","Present"
-"4-Ethyl-4-hydroxycyclohexa-2,5-dien-1-one","","","","","","","","","","","","","","","","","","","","4-Ethyl-4-hydroxy-cyclohexa-2,5-dien-1-one","","CCC1(C=CC(=O)C=C1)O","QFNSWCBCFCFPSG-UHFFFAOYSA-N","394647",NA,"PDBC23972","698249","Present"
-"4-Ethyl-5-(3-acetoxy-2-naphthyl)-2H-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","4-Ethyl-5-(3-acetoxy-2-naphthyl)-2H-1,2,4-triazole-3-thione","","CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2OC(=O)C","QYEPULAXVGYYGJ-UHFFFAOYSA-N","5471745",NA,"PDBC23973","713589","Present"
-"4-Ethyl-5-methyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","4-Ethyl-5-methyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CCC1C(C2=C(C3C1C(=O)N(C3=O)C4=CC=CC=C4)NC5=CC=CC=C52)C","QFCVBBVIEYWCNL-UHFFFAOYSA-N","362435",NA,"PDBC23974","626384","Present"
-"4-Ethyl-6-methoxy-7-(oxiran-2-ylmethoxy)quinazoline","","","","","","","","","","","","","","","","","","","","Quinazoline, 4-ethyl-6-methoxy-7-(oxiranylmethoxy)-","","CCC1=NC=NC2=CC(=C(C=C21)OC)OCC3CO3","ZTWHHVCHUZUNBI-UHFFFAOYSA-N","333565",NA,"PDBC23975","335766","Present"
-"4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin","","","","","","","","","","","","","","","","","","","","SC 7801","","CCC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OC","OFVOGSOIXOYRRC-UHFFFAOYSA-N","5284654",NA,"PDBC23976","82441","Present"
-"4-Ethyl-7-phenyl-3,5-diazabicyclo[2.2.2]octane-2,6-dione","","","","","","","","","","","","","","","","","","","","2,6-Diaza-1-ethyl-7-phenylbicyclo[2.2.2]octane-3,5-dione","","CCC12CC(C(C(=O)N1)C(=O)N2)C3=CC=CC=C3","AZRRZGIBBLWSSQ-UHFFFAOYSA-N","393571",NA,"PDBC23977","695640","Present"
-"4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline","","","","","","","","","","","","","","","","","","","","4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline","","CCC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC","PVGALIKOSLDYBA-UHFFFAOYSA-N","373800",NA,"PDBC23978","650765","Present"
-"4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride","","","","","","","","","","","","","","","","","","","","4-ethyl-n-(3,4,5-trimethoxybenzyl)aniline, hydrochloride","","CCC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","LTMLFCSQCSPJRX-UHFFFAOYSA-N","373801",NA,"PDBC23979","650766","Present"
-"4-Ethyl-N-(3,4,5-trimethoxybenzylidene)aniline","","","","","","","","","","","","","","","","","","","","4-Ethyl-N-(3,4,5-trimethoxybenzylene)aniline","","CCC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","LIQFNGGAKXIUPT-UHFFFAOYSA-N","373991",NA,"PDBC23980","651021","Present"
-"4-Ethyloxychalcone","","","","","","","","","","","","","","","","","","","","4-Ethyloxychalcone","","CCOC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2","ABJALCOAMMGTJD-JLHYYAGUSA-N","5717021",NA,"PDBC23981","660296","Present"
-"4-Ethylpyrimidinium-trans-tetrachlorobis-4- ethylpyridin...","","","","","","","","","","","","","","","","","","","","4-Ethylpyrimidinium-trans-tetrachlorobis-4- ethylpyridin...","","","","",NA,"PDBC23982","630131","Present"
-"4-Ethylthio-6-iodo-2-(2-thienyl)quinazoline","","","","","","","","","","","","","","","","","","","","4-Ethylthio-6-iodo-2-(2-thienyl)quinazoline","","CCSC1=NC(=NC2=C1C=C(C=C2)I)C3=CC=CS3","SYHXHQIPQLWQCY-UHFFFAOYSA-N","404775",NA,"PDBC23983","721273","Present"
-"4-Ethylthiopyrazolo[3,4-d]pyrimidin-6-thion","","","","","","","","","","","","","","","","","","","","4-Ethylthiopyrazolo[3,4-d]pyrimidin-6-thion","","CCSC1=NC(=S)NC2=C1C=NN2","KNJPYDHMFGGCNS-UHFFFAOYSA-N","135436393",NA,"PDBC23984","722939","Present"
-"4-Ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride","","CN1C(CC(CC1C2=CC=CC=C2)(C#C)O)C3=CC=CC=C3.Cl","BDVBDDVELGIRSL-UHFFFAOYSA-N","24199959",NA,"PDBC23985","351666","Present"
-"4-Fluoren-9-ylidenemethyl-pyridine","","","","","","","","","","","","","","","","","","","","4-Fluoren-9-ylidenemethyl-pyridine","","C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=NC=C4","YVNXZDHQCSSQMR-UHFFFAOYSA-N","256445",NA,"PDBC23986","83319","Present"
-"4-Fluoro-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrobromide","","","","","","","","","","","","","","","","","","","","4-Fluoro-1-[1-(2-thienyl)cyclohexyl]piperidine hydrobromide","","C1CCC(CC1)(C2=CC=CS2)N3CCC(CC3)F.Br","NJWPVGBOMFEZPB-UHFFFAOYSA-N","398087",NA,"PDBC23987","707451","Present"
-"4-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","4-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole","","C1=CC(=C2C(=C1)SC(=N2)C3=CC(=C(C=C3)N)C#N)F","SNXOVVLVUFSOSZ-UHFFFAOYSA-N","404144",NA,"PDBC23988","720283","Present"
-"4-Fluoro-2-nitro-1-phenylsulfanylbenzene","","","","","","","","","","","","","","","","","","","","BPDDJSOPIZLNLL-UHFFFAOYSA-N","","C1=CC=C(C=C1)SC2=C(C=C(C=C2)F)[N+](=O)[O-]","BPDDJSOPIZLNLL-UHFFFAOYSA-N","378891",NA,"PDBC23989","662299","Present"
-"4-Fluoro-3-methoxy-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-y l)-phenyl]-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Fluoro-3-methoxy-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol...","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CC=C4)F","VSCCKYKQQJZJNI-UHFFFAOYSA-N","24203515",NA,"PDBC23990","728415","Present"
-"4-Fluoro-4'-(trifluoromethyl)benzophenone guanylhydrazone hydrochloride","","","","","","","","","","","","","","","","","","","","WR 09792","","C1=CC(=CC=C1C(=NN=C(N)N)C2=CC=C(C=C2)F)C(F)(F)F.Cl","SGDJEEPRBXBRJK-BWLGBDCWSA-N","10248002",NA,"PDBC23991","127923","Present"
-"4-Fluoro-4-methylcyclohexa-2,5-dien-1-one","","","","","","","","","","","","","","","","","","","","4-Fluoro-4-methylcyclohexa-2,5-dien-1-one","","CC1(C=CC(=O)C=C1)F","UELYMTQACMUFOY-UHFFFAOYSA-N","394649",NA,"PDBC23992","698251","Present"
-"4-Fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-Fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-amine","","CN1C=C2C=CC=CC2=C1C3=NC(=NC(=N3)F)N","GFILRLNCCPEFSR-UHFFFAOYSA-N","373230",NA,"PDBC23993","649237","Present"
-"4-Fluoro-DL-tryptophan","","","","","","","","","","","","","","","","","","","","4-Fluoro-D,L-tryptophan","","C1=CC2=C(C(=C1)F)C(=CN2)CC(C(=O)O)N","DEBQMEYEKKWIKC-UHFFFAOYSA-N","101198",NA,"PDBC23994","529108","Present"
-"4-Fluoro-N'-(2-hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Fluoro-N'-(2-hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)benzenesulfonohydrazide","","C1=CC(=CC=C1F)S(=O)(=O)NN=CC2=C(C(=CC(=C2)I)[N+](=O)[O-])O","LDGIDXLZLYALTH-FRKPEAEDSA-N","135429935",NA,"PDBC23995","620305","Present"
-"4-Fluoro-N'-(methylsulfamoyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Fluoro-N'-(methylsulfamoyl)benzenesulfonohydrazide","","CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)F","HFFHGNFDEULGCM-UHFFFAOYSA-N","367382",NA,"PDBC23996","637071","Present"
-"4-Fluoro-N'-(methylsulfonyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Fluoro-N'-(methylsulfonyl)benzenesulfonohydrazide","","CS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)F","KLAPUBNZJBLZBT-UHFFFAOYSA-N","367386",NA,"PDBC23997","637075","Present"
-"4-Fluoro-N'-[(2-hydroxy-3,5-dinitrophenyl) methylidene]benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-fluoro-N'-[(2-hydroxy-3,5-dinitrophenyl) methylidene]b...","","C1=CC(=CC=C1F)S(=O)(=O)NN=CC2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O","ZVJHJBWCLSDDOX-VIZOYTHASA-N","135429929",NA,"PDBC23998","620299","Present"
-"4-Fluoro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-Fluoro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)F","SCUJEBAIJFDIMZ-UHFFFAOYSA-N","369937",NA,"PDBC23999","642304","Present"
-"4-Fluoro-N-(3-((4-fluorophenyl)imino)-1-propenyl)aniline","","","","","","","","","","","","","","","","","","","","4-Fluoro-N-(3-((4-fluorophenyl)imino)-1-propenyl)aniline","","C1=CC(=CC=C1NC=CC=NC2=CC=C(C=C2)F)F","NAJOFPCAYQWTPJ-VDRJLMEUSA-N","5933697",NA,"PDBC24000","676469","Present"
-"4-Fluoro-N-(4-((4-fluorophenyl)imino)-1(4H)-naphthalenylidene)aniline","","","","","","","","","","","","","","","","","","","","4-Fluoro-N-(4-((4-fluorophenyl)imino)-1(4H)-naphthalenylidene)aniline","","C1=CC=C2C(=NC3=CC=C(C=C3)F)C=CC(=NC4=CC=C(C=C4)F)C2=C1","UXONOXOMVJDYOS-UHFFFAOYSA-N","362419",NA,"PDBC24001","626304","Present"
-"4-Fluoro-N-[(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methyl]aniline","","","","","","","","","","","","","","","","","","","","4-fluoro-N-((4-fluorophenyl)(1-(4-phenylbutyl)piperidin-...","","C1CN(CCC1C(C2=CC=C(C=C2)F)NC3=CC=C(C=C3)F)CCCCC4=CC=CC=C4","SMQUFYRIQYQDJW-UHFFFAOYSA-N","19772054",NA,"PDBC24002","788824","Present"
-"4-Fluoro-N-[2-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-fluoro-N-(2-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyraz...","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)F","YYRYVQPVQWTMCH-UHFFFAOYSA-N","155815443",NA,"PDBC24003","783562","Present"
-"4-Fluoro-N-[3-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-fluoro-N-(3-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyraz...","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)F","QJDRSEAJQGKWPG-UHFFFAOYSA-N","155812045",NA,"PDBC24004","783566","Present"
-"4-Fluoro-N-[3-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-fluoro-N-(3-(4-(6-(4-hydroxyphenyl)imidazo[2,1-b]thiaz...","","C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)F)O","FQLILJQDGJUCGS-UHFFFAOYSA-N","155816262",NA,"PDBC24005","780022","Present"
-"4-Fluoro-N-[3-[[4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-fluoro-N-(3-((4-(6-(4-methoxyphenyl)imidazo[2,1-b]thia...","","COC1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)F","GJGDRVUBGJNSLL-UHFFFAOYSA-N","155809810",NA,"PDBC24006","780030","Present"
-"4-Fluoro-N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-fluoro-N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]be...","","C1=CC=C2C(=C1)C(=CC(=C2O)SC3=CC=CC4=C3N=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)F","HLVJWPTZQDKJQP-UHFFFAOYSA-N","2133793",NA,"PDBC24007","780572","Present"
-"4-Fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide","","C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F)F","SYYVIIHWBKHMNE-UHFFFAOYSA-N","54612796",NA,"PDBC24008","750977","Present"
-"4-Fluoro-N-{4[-3-(4-hydroxy-phenyl)-acryloyl]-phenyl}-benzen esulfonamide","","","","","","","","","","","","","","","","","","","","4-Fluoro-N-{4[-3-(4-hydroxy-phenyl)-acryloyl]-phenyl}-be...","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)O)F","DBTWQXYEXLZZBK-YIXHJXPBSA-N","24203513",NA,"PDBC24009","728413","Present"
-"4-Fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic alcohol","","","","","","","","","","","","","","","","","","","","ZX-AP013620","","C1CC1C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O","YAKFETHTYBAIJR-UHFFFAOYSA-N","67930",NA,"PDBC24010","78476","Present"
-"4-Fluoromandelic acid","","","","","","","","","","","","","","","","","","","","C8H7FO3","","C1=CC(=CC=C1C(C(=O)O)O)F","RWCMOQXHIDWDDJ-UHFFFAOYSA-N","98068",NA,"PDBC24011","73990","Present"
-"4-Formyl-2,6-dihydroxy-5-pyrimidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","4-Formyl-2,6-dihydroxy-5-pyrimidinecarboxylic acid","","C(=O)C1=C(C(=O)NC(=O)N1)C(=O)O","ATMFFISCAPDFMC-UHFFFAOYSA-N","381326",NA,"PDBC24012","667847","Present"
-"4-Formylcolchicine","","","","","","","","","","","","","","","","","","","","Acetamide, N-(4-formyl-5,6,7,9-tetrahydro-1,2,3,10- tetr...","","CC(=O)NC1CCC2=C(C(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC)C=O","JUWAUXATKRGHCK-KRWDZBQOSA-N","332237",NA,"PDBC24013","328403","Present"
-"4-Furan-2-yl-6-(4-methoxy-phenyl)-2-thioxo-1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-1,2-dihydro-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(Furan-2-yl)-6-(4-methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","COC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CO4","IDRZCZXJTPPTFE-UHFFFAOYSA-N","383450",NA,"PDBC24014","671819","Present"
-"4-Furo[2,3-b]quinolin-4-yloxybenzaldehyde","","","","","","","","","","","","","","","","","","","","4-(Furo[2,3-b]quinolin-4-yloxy)benzaldehyde","","C1=CC=C2C(=C1)C(=C3C=COC3=N2)OC4=CC=C(C=C4)C=O","VSFHIHGPMITGOD-UHFFFAOYSA-N","406549",NA,"PDBC24015","724697","Present"
-"4-Furylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrimidin e","","","","","","","","","","","","","","","","","","","","4-Furylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrim...","","C1=COC(=C1)C=NNC2=NC(=S)NC3=C2C=NN3","WFBAGSYMAKLSDU-NYYWCZLTSA-N","135436414",NA,"PDBC24016","723122","Present"
-"4-Guanidinobutyric acid","","","","","","","","","","","","","","","","","","","","Butanoic acid, 4-[(aminoiminomethyl)amino]- (9CI)","","C(CC(=O)O)CN=C(N)N","TUHVEAJXIMEOSA-UHFFFAOYSA-N","500",NA,"PDBC24017","521717","Present"
-"4-Heptyl-2-(4-methoxyphenyl)-5-methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","4-Heptyl-2-(4-methoxyphenyl)-5-methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CCCCCCCC1C(C2=C(C3C1C(=O)N(C3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C52)C","HVXYMFBOUMLZEH-UHFFFAOYSA-N","379238",NA,"PDBC24018","663652","Present"
-"4-Hexadecyl-4-methylmorpholin-4-ium methyl sulfate","","","","","","","","","","","","","","","","","","","","4-Hexadecyl-4-methylmorpholin-4-ium;methyl sulfate","","CCCCCCCCCCCCCCCC[N+]1(CCOCC1)C.COS(=O)(=O)[O-]","DNRNWJIWFBADEU-UHFFFAOYSA-M","24187598",NA,"PDBC24019","66323","Present"
-"4-Hexoxy-N-methoxy-benzamide","","","","","","","","","","","","","","","","","","","","4-Hexoxy-N-methoxy-benzamide","","CCCCCCOC1=CC=C(C=C1)C(=O)NOC","QJDMTYORZDWWHW-UHFFFAOYSA-N","392404",NA,"PDBC24020","692768","Present"
-"4-Hexyl-N-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","4-Hexyl-N-hydroxybenzamide","","CCCCCCC1=CC=C(C=C1)C(=O)NO","XKWHBVHIODBAFB-UHFFFAOYSA-N","392391",NA,"PDBC24021","692755","Present"
-"4-Hydrazino-1H-[1,2,3]triazolo[4,5-d]pyridazine","","","","","","","","","","","","","","","","","","","","4-Hydrazino-1H-[1,2,3]triazolo[4,5-d]pyridazine","","C1=NN=C(C2=NNN=C21)NN","KSEJAGADQCEKJY-UHFFFAOYSA-N","391405",NA,"PDBC24022","690578","Present"
-"4-Hydrazino-4-oxo-N-(2,4,5-trichlorophenyl)butanamide","","","","","","","","","","","","","","","","","","","","4-Hydrazino-4-oxo-N-(2,4,5-trichlorophenyl)butanamide","","C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCC(=O)NN","YBAAWIBFRQGHOO-UHFFFAOYSA-N","362235",NA,"PDBC24023","625839","Present"
-"4-Hydrazino-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-Hydrazino-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine","","CC1=C(OC2=NC(=NC(=C12)NN)N(C)C)C","XECZNAWOADURPB-UHFFFAOYSA-N","389701",NA,"PDBC24024","686267","Present"
-"4-Hydrazino-N,N-dimethyl-5,6-diphenylfuro[2,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-Hydrazino-N,N-dimethyl-5,6-diphenylfuro[2,3-d]pyrimidin-2-amine","","CN(C)C1=NC(=C2C(=C(OC2=N1)C3=CC=CC=C3)C4=CC=CC=C4)NN","PJZMQJHPXPAZDS-UHFFFAOYSA-N","389706",NA,"PDBC24025","686272","Present"
-"4-Hydrazinyl-4-oxo-N-(2-propan-2-ylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","4-Hydrazinyl-4-oxo-N-(2-propan-2-ylphenyl)butanamide","","CC(C)C1=CC=CC=C1NC(=O)CCC(=O)NN","SJOHATLHQJZFIH-UHFFFAOYSA-N","358647",NA,"PDBC24026","618661","Present"
-"4-Hydrazono-2,5-dioxo-N,1-dipentyl-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-Hydrazono-2,5-dioxo-N,1-dipentyl-3-pyrrolidinecarboxamide","","CCCCCNC(=O)C1C(=NN)C(=O)N(C1=O)CCCCC","VXXFJHFIDXMAMJ-PDGQHHTCSA-N","9569994",NA,"PDBC24027","630898","Present"
-"4-Hydrazono-N,1-bis(2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-Hydrazono-N,1-bis(2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","CC1=CC=CC=C1NC(=O)C2C(=NN)C(=O)N(C2=O)C3=CC=CC=C3C","VWTRPSVZHBVGJR-JWGURIENSA-N","9569911",NA,"PDBC24028","623901","Present"
-"4-Hydrazono-N,1-bis(3-methoxypropyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-Hydrazono-N,1-bis(3-methoxypropyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","COCCCNC(=O)C1C(=NN)C(=O)N(C1=O)CCCOC","DLTBMBWFSJTEEL-YBEGLDIGSA-N","9569996",NA,"PDBC24029","630902","Present"
-"4-Hydrazono-N,1-bis(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-Hydrazono-N,1-bis(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide","","COC1=CC=C(C=C1)NC(=O)C2C(=NN)C(=O)N(C2=O)C3=CC=C(C=C3)OC","BOXDKCIUCHWCIB-JWGURIENSA-N","6105184",NA,"PDBC24030","630892","Present"
-"4-Hydroperoxyisophosphamide","","","","","","","","","","","","","","","","","","","","2H-1,3,2-Oxazaphosphorin-2-amine, N,3-bis(2-chloroethyl)...","","C1COP(=O)(N(C1OO)CCCl)NCCCl","YGZIWEZFFBPCLN-UHFFFAOYSA-N","99769",NA,"PDBC24031","227114","Present"
-"4-Hydroxy-1,3-bis(2-nitrophenyl)butan-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-1,3-bis(2-nitrophenyl)butan-2-one","","C1=CC=C(C(=C1)CC(=O)C(CO)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]","YIKICLSWQBCOIW-UHFFFAOYSA-N","364683",NA,"PDBC24032","631317","Present"
-"4-Hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-10-imino-anthracen-9-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-10-imino-anthracen-9-one","","C1=CC=C2C(=C1)C(=N)C3=C(C=CC(=C3C2=O)NCCNCCO)O","PPNDCALYNGCOIX-UHFFFAOYSA-N","438629",NA,"PDBC24033","649153","Present"
-"4-Hydroxy-1-methoxy-5H-benzo[a]cyclohepten-5-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-1-methoxy-5H-benzo[a]cyclohepten-5-one","","COC1=C2C=CC=CC(=O)C2=C(C=C1)O","ZLUYWOMUAFRABD-UHFFFAOYSA-N","361615",NA,"PDBC24034","624800","Present"
-"4-Hydroxy-1-methyl-2-oxobenzo[b][1,8]naphthyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carbonitrile","","CN1C2=NC3=CC=CC=C3C=C2C(=C(C1=O)C#N)O","FEYFEKOOLUHVAM-UHFFFAOYSA-N","54676241",NA,"PDBC24035","627475","Present"
-"4-Hydroxy-1-methyl-3-(p-tolylsulfonyl)quinolin-2-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-1-methyl-3-(p-tolylsulfonyl)quinolin-4-one","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3N(C2=O)C)O","VVCWJCSCUGDPJB-UHFFFAOYSA-N","54682449",NA,"PDBC24036","695623","Present"
-"4-Hydroxy-1-methyl-3-[(1-methyl-2-oxo-3-quinolyl)-(4-nitrophenyl)methyl]quinolin-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-1-methyl-3-[(1-methyl-2-oxo-3-quinolyl)-(4-nitrophenyl)methyl]quinolin-2-one","","CN1C2=CC=CC=C2C=C(C1=O)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C5=CC=CC=C5N(C4=O)C)O","YGWMJNLZUQMRMY-UHFFFAOYSA-N","54687022",NA,"PDBC24037","642519","Present"
-"4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one","","","","","","","","","","","","","","","","","","","","Arboricin","","CN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)O","CLKIYIWKKBDFBS-UHFFFAOYSA-N","54680431",NA,"PDBC24038","675808","Present"
-"4-Hydroxy-1-methyl-4-piperidinyl (1-hydroxycyclopentyl)(phenyl)acetate","","","","","","","","","","","","","","","","","","","","4-Hydroxy-1-methyl-4-piperidinyl (1-hydroxycyclopentyl)(phenyl)acetate","","CN1CCC(CC1)(O)OC(=O)C(C2=CC=CC=C2)C3(CCCC3)O","WHZKZJOSELYKPT-UHFFFAOYSA-N","380236",NA,"PDBC24039","665716","Present"
-"4-Hydroxy-14-phenylsulfanyl-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-14-phenylsulfanyl-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one","","C1COC(=O)CCC2=CC(=C(C=C2)O)OC3=CC=C(C1SC4=CC=CC=C4)C=C3","WKQOKEONSAJJTJ-UHFFFAOYSA-N","388340",NA,"PDBC24040","683131","Present"
-"4-Hydroxy-17a-Methyl-17a-aza-D-homo-4-androsten-3-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-17a-Methyl-17a-aza-D-homo-4-androsten-3-one","","CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCCN4C)C)O","LPGUUEFSUWHOPN-BYSVNXKBSA-N","364580",NA,"PDBC24041","631067","Present"
-"4-Hydroxy-17a-aza-D-homo-4-androstene-3,17-dione","","","","","","","","","","","","","","","","","","","","4-Hydroxy-17a-aza-D-homo-4-androstene-3,17-dione","","CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCC(=O)N4)C)O","ZHYHYICJCUNDMC-ZLFKRAGNSA-N","364575",NA,"PDBC24042","631062","Present"
-"4-Hydroxy-2'-phenyl-17a-aza-D-homo-4-androsteno[17,16-c]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2'-phenyl-17a-aza-D-homo-4-androsteno[17,16-c]...","","CC12CCC(=O)C(=C1CCC3C2CCC4(C3CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)O","WYALBWDKZKSLPP-STPICVOLSA-N","363161",NA,"PDBC24043","627762","Present"
-"4-Hydroxy-2,2,6-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","2H-Pyrano[3,2-g}quinoline-5,10-dione, 4-hydroxy- 2,2,6-t...","","CC1=C2C(=NC=C1)C(=O)C3=C(C2=O)C(CC(O3)(C)C)O","ZFWMBDFXZOAQEP-UHFFFAOYSA-N","387918",NA,"PDBC24044","682223","Present"
-"4-Hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione","","CC1=CC2=C(C(=O)C3=C(C2=O)C(CC(O3)(C)C)O)N=C1","YIMVNPNFSCHJGD-UHFFFAOYSA-N","372581",NA,"PDBC24045","647941","Present"
-"4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione","","CC1(CC(C2=C(O1)C(=O)C3=C(C2=O)C=CC=N3)O)C","JTPFBOKGRLIYEO-UHFFFAOYSA-N","387917",NA,"PDBC24046","682222","Present"
-"4-Hydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","CC(C)CC1=C2C(CC(C2=O)(C)C)C(C(=C)C13CC3)O","WHVSRUNTINLBAI-UHFFFAOYSA-N","406833",NA,"PDBC24047","725124","Present"
-"4-Hydroxy-2,3,4-triphenyl-2-cyclopenten-1-one","","","","","","","","","","","","","","","","","","","","AB-131/42301678","","C1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4","JMQDECCLRBOGQZ-UHFFFAOYSA-N","361630",NA,"PDBC24048","624846","Present"
-"4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one","","COC1=C(C(C1=O)(C2=CC=CC=C2)O)OC","RQMAAUOGFOJALV-UHFFFAOYSA-N","361745",NA,"PDBC24049","625011","Present"
-"4-Hydroxy-2,8-bis(1-piperidylmethyl)pyrimido[1,2-a][1,8]naphthyridin-10-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2,8-bis(1-piperidylmethyl)pyrimido[1,2-a][1,8]naphthyridin-10-one","","C1CCN(CC1)CC2=CC(=O)C3=C(N2)N4C(=NC(=CC4=O)CN5CCCCC5)C=C3","PIOJQZZUMQBJEO-UHFFFAOYSA-N","135489877",NA,"PDBC24050","687684","Present"
-"4-Hydroxy-2-(2-Hydroxybenzylidenehydrazino)-6-Methylpyrimidine","","","","","","","","","","","","","","","","","","","","Benzaldehyde, 2-hydroxy-, (1,4-dihydro-6-methyl-4-oxo-2-...","","CC1=CC(=O)NC(=N1)NN=CC2=CC=CC=C2O","XVDNTAIBZHGIAL-NTUHNPAUSA-N","135460298",NA,"PDBC24051","97967","Present"
-"4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarbonitrile","","C1CCC2=C(C1)C(=O)N(N2)C3=NC=C(C(=O)N3)C#N","IFHRNPOXUOBCRA-UHFFFAOYSA-N","387160",NA,"PDBC24052","680674","Present"
-"4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarboxylic acid","","C1CCC2=C(C1)C(=O)N(N2)C3=NC=C(C(=O)N3)C(=O)O","NIBDQHFWTFEATL-UHFFFAOYSA-N","387159",NA,"PDBC24053","680673","Present"
-"4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile","","CC1=C(C(=O)N(N1)C2=NC=C(C(=O)N2)C#N)CCO","DZWFSJJETCGGST-UHFFFAOYSA-N","379754",NA,"PDBC24054","664726","Present"
-"4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylic acid","","CC1=C(C(=O)N(N1)C2=NC=C(C(=O)N2)C(=O)O)CCO","YQXWPQBDEPAWFL-UHFFFAOYSA-N","380615",NA,"PDBC24055","666290","Present"
-"4-Hydroxy-2-(hydroxymethyl)-2-methyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2-(hydroxymethyl)-2-methyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","CC(C)CC1=C2C(CC(C2=O)(C)CO)C(C(=C)C13CC3)O","LCFFFTSOKGDJBC-UHFFFAOYSA-N","406836",NA,"PDBC24056","725127","Present"
-"4-Hydroxy-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","Maybridge3_004962","","CSC1=NC(=C(C(=O)N1)C#N)C2=CC=CC=C2","QEMPGPIZKSTYKP-UHFFFAOYSA-N","135407280",NA,"PDBC24057","686027","Present"
-"4-Hydroxy-2-isopropenyl-10-methyl-3,10-dihydrofuro[3,2-b]acridin-5(2H)-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2-isopropenyl-10-methyl-3,10-dihydrofuro[3,2-b]acridin-5(2H)-one","","CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C4=CC=CC=C4N3C","DWXCDJBFCSGKML-UHFFFAOYSA-N","378566",NA,"PDBC24058","661205","Present"
-"4-Hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Cyanoquinoline-2,4-dione","","C1=CC=C2C(=C1)C(=C(C(=O)N2)C#N)O","CRRUFISVDCIBAP-UHFFFAOYSA-N","54694513",NA,"PDBC24059","691971","Present"
-"4-Hydroxy-2-oxo-1-prop-2-ynylbenzo[b][1,8]naphthyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Hydroxy-4-oxo-1-(prop-2-yn-1-yl)-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carbonitrile","","C#CCN1C2=NC3=CC=CC=C3C=C2C(=C(C1=O)C#N)O","RAGOFBGAHJWKNN-UHFFFAOYSA-N","54676230",NA,"PDBC24060","625354","Present"
-"4-Hydroxy-2-oxo-2H-chromene-3-sulfonamide","","","","","","","","","","","","","","","","","","","","4-Hydroxy-2-oxo-2H-chromene-3-sulfonamide","","C1=CC=C2C(=C1)C(=C(C(=O)O2)S(=O)(=O)N)O","WYMXTUAQMCLUOC-UHFFFAOYSA-N","54690697",NA,"PDBC24061","41277","Present"
-"4-Hydroxy-3,4-dihydro-2H-1,3-benzoxazin-2-one","","","","","","","","","","","","","","","","","","","","2H-1,3-Benzoxazin-2-one, 3,4-dihydro-4-hydroxy-","","C1=CC=C2C(=C1)C(NC(=O)O2)O","VKDPWSRLHGLVEX-UHFFFAOYSA-N","150090",NA,"PDBC24062","295150","Present"
-"4-Hydroxy-3,4-dihydro-2H-naphtho[2,3-e][1,3]oxazin-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3,4-dihydro-2H-naphtho[2,3-e][1,3]oxazin-2-one","","C1=CC=C2C=C3C(=CC2=C1)C(NC(=O)O3)O","FKKQHGDYKNKJPL-UHFFFAOYSA-N","378322",NA,"PDBC24063","660331","Present"
-"4-Hydroxy-3,5,8-trimethylenedecahydroazuleno[6,5-b]furan-2(3H)-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3,5,8-trimethylenedecahydroazuleno[6,5-b]furan-2(3H)-one","","C=C1CCC2C1C(C3C(CC2=C)OC(=O)C3=C)O","BFJZGJOZEZXOIT-UHFFFAOYSA-N","362584",NA,"PDBC24064","626673","Present"
-"4-Hydroxy-3-(1-morpholin-4-yl-1-phenyl-methyl)-1,5-diphenyl-1,5-dihydro-pyrrol-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-(1-morpholin-4-yl-1-phenyl-methyl)-1,5-diphenyl-1,5-dihydro-pyrrol-2-one","","C1COCCN1C(C2=CC=CC=C2)C3=C(C(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O","PNYYAMINXCXVFC-UHFFFAOYSA-N","54681647",NA,"PDBC24065","663785","Present"
-"4-Hydroxy-3-(3-hydroxy-1,2,4-triazin-6-yl)-6-methylquinolin-2(1H)-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-(3-hydroxy-1,2,4-triazin-6-yl)-6-methylquinolin-2(1H)-one","","CC1=CC2=C(C=C1)NC(=O)C(=C2O)C3=NNC(=O)N=C3","DRJWMQHFKFQSJE-UHFFFAOYSA-N","135408193",NA,"PDBC24066","666115","Present"
-"4-Hydroxy-3-(3-oxo-5-phenyl-4-pentenyl)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","4-hydroxy-3-[(E)-3-oxo-5-phenyl-pent-4-enyl]chromen-2-one","","C1=CC=C(C=C1)C=CC(=O)CCC2=C(C3=CC=CC=C3OC2=O)O","QIBANWOLXDOINM-ZHACJKMWSA-N","54716270",NA,"PDBC24067","649799","Present"
-"4-Hydroxy-3-(5,6,7-trimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-(5,6,7-trimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-2(5H)-furanone","","COC1=C(C(=C2CCNC(C2=C1)C3=C(COC3=O)O)OC)OC","XQKKBTCAEOOLNW-UHFFFAOYSA-N","54676245",NA,"PDBC24068","628943","Present"
-"4-Hydroxy-3-[(1-hydroxy-4-sulfonaphthalen-2-yl)azo]benzoic acid","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(1-hydroxy-4-sulfonaphthalen-2-yl)azo]benzoic acid","","C1=CC=C2C(=C1)C(=CC(=C2O)N=NC3=C(C=CC(=C3)C(=O)O)O)S(=O)(=O)O","UIYDCNHGVDGNBZ-UHFFFAOYSA-N","364699",NA,"PDBC24069","631351","Present"
-"4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-(4-methoxyphenyl)methyl]-1-methyl-quinolin-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-(4-methoxyphenyl)methyl]-1-methyl-quinolin-2-one","","CN1C2=CC=CC=C2C(=C(C1=O)C(C3=CC=C(C=C3)OC)C4=C(C5=CC=CC=C5N(C4=O)C)O)O","SLKUMQAVNHTONZ-UHFFFAOYSA-N","54687021",NA,"PDBC24070","642518","Present"
-"4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-phenyl-methyl]-1-methyl-quinolin-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-phenyl-methyl]-1-methyl-quinolin-2-one","","CN1C2=CC=CC=C2C(=C(C1=O)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5N(C4=O)C)O)O","NQWMMPBLNCXRNP-UHFFFAOYSA-N","54687020",NA,"PDBC24071","642517","Present"
-"4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-methoxyphenyl)methyl]-1-phenyl-quinolin-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-methoxyphenyl)methyl]-1-phenyl-quinolin-2-one","","COC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)O)C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O","QPHUSQGUUNDYTA-UHFFFAOYSA-N","54684335",NA,"PDBC24072","642522","Present"
-"4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-nitrophenyl)methyl]-1-phenyl-quinolin-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-nitrophenyl)methyl]-1-phenyl-quinolin-2-one","","C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)C(C4=CC=C(C=C4)[N+](=O)[O-])C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O)O","RYRMTTSYKBBOQB-UHFFFAOYSA-N","54687025",NA,"PDBC24073","642523","Present"
-"4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(p-tolyl)methyl]-1-phenyl-quinolin-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(p-tolyl)methyl]-1-phenyl-quinolin-2-one","","CC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)O)C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O","PFUQYFRSESPDAR-UHFFFAOYSA-N","54687024",NA,"PDBC24074","642521","Present"
-"4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(4-phenylphenyl)methyl]chromen-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(4-phenylphenyl)methyl]chromen-2-one","","C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","QTIUFAAOBONXEO-UHFFFAOYSA-N","54695479",NA,"PDBC24075","686383","Present"
-"4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]chromen-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]chromen-2-one","","C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","VNNIAOVTRWFYEW-CCEZHUSRSA-N","54685683",NA,"PDBC24076","686384","Present"
-"4-Hydroxy-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-5-methoxybenzaldehyde","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-5-methoxybenzaldehyde","","COC1=CC(=CC(=C1O)C=NN=CC2=CC=CC=C2O)C=O","GBLQIGUCTQLCQG-YPOGWSRFSA-N","135436320",NA,"PDBC24077","718163","Present"
-"4-Hydroxy-3-methoxy-2,2,7-trimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-methoxy-2,2,7-trimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","CC1=C2C(C(C(=C)C13CC3)O)C(C(C2=O)(C)C)OC","JUXIWECMQDJFHK-UHFFFAOYSA-N","406820",NA,"PDBC24078","725111","Present"
-"4-Hydroxy-3-methoxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-methoxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","CC(C)CC1=C2C(C(C(=C)C13CC3)O)C(C(C2=O)(C)C)OC","FWQXUDYMMJYUBR-UHFFFAOYSA-N","406834",NA,"PDBC24079","725125","Present"
-"4-Hydroxy-3-methoxy-5-[(E)-pyridin-2-yliminomethyl]benzaldehyde","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-methoxy-5-[(E)-pyridin-2-yliminomethyl]benzaldehyde","","COC1=CC(=CC(=C1O)C=NC2=CC=CC=N2)C=O","AOXBXHYJXVTLFR-LZYBPNLTSA-N","135436331",NA,"PDBC24080","720187","Present"
-"4-Hydroxy-3-methoxyamphetamine Hydrochloride","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-methoxyamphetamine Hydrochloride","","CC(CC1=CC(=C(C=C1)O)OC)N.Cl","NHLXZOOGQNYXLV-UHFFFAOYSA-N","12611603",NA,"PDBC24081","172191","Present"
-"4-Hydroxy-3-methoxynitrostyrene","","","","","","","","","","","","","","","","","","","","NSC7376","","COC1=C(C=CC(=C1)C=C[N+](=O)[O-])O","XVXCSPJSXIUNQJ-PLNGDYQASA-N","1550966",NA,"PDBC24082","7376","Present"
-"4-Hydroxy-3-methyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","FCH842406","","CC1=C(C2=CC=CC=C2OC1=O)O","RBZSTMCKGZFSOH-UHFFFAOYSA-N","54687016",NA,"PDBC24083","63737","Present"
-"4-Hydroxy-3-methylene-2,2,10-trimethyl-2,3-dihydrofuro[3,2-b]acridin-5(10H)-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-methylene-2,2,10-trimethyl-2,3-dihydrofuro [...","","CC1(C(=C)C2=C(O1)C=C3C(=C2O)C(=O)C4=CC=CC=C4N3C)C","ABCWGWBKQHODBV-UHFFFAOYSA-N","5388212",NA,"PDBC24084","633785","Present"
-"4-Hydroxy-3-oxo-4-androsteno[16,17-c]-1',2',5',-oxadiazo...","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-oxo-4-androsteno[16,17-c]-1',2',5',-oxadiazo...","","","","",NA,"PDBC24085","626418","Present"
-"4-Hydroxy-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-phenyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2O","LDQUXIWHMSINFK-UHFFFAOYSA-N","385479",NA,"PDBC24086","676715","Present"
-"4-Hydroxy-3-propyl-1H-quinolin-2-one","","","","","","","","","","","","","","","","","","","","TimTec1_006680","","CCCC1=C(C2=CC=CC=C2NC1=O)O","CKETYLIKMVJPGC-UHFFFAOYSA-N","54680429",NA,"PDBC24087","675805","Present"
-"4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one","","","","","","","","","","","","","","","","","","","","2,5-Cyclohexadien-1-one, 4-hydroxy-4-methyl-","","CC1(C=CC(=O)C=C1)O","MUBYTRYBVWQAKF-UHFFFAOYSA-N","100411",NA,"PDBC24088","295156","Present"
-"4-Hydroxy-5,7-dimethoxy-3-(p-tolylsulfonyl)chromen-2-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-5,7-dimethoxy-3-(p-tolylsulfonyl)chromen-4-one","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=C(C=C(C=C3OC)OC)OC2=O)O","YOUVPIGGTYYNKM-UHFFFAOYSA-N","54690909",NA,"PDBC24089","695620","Present"
-"4-Hydroxy-5-methylpyrimidine","","","","","","","","","","","","","","","","","","","","RW3809","","CC1=CN=CNC1=O","SHLJOANTPJWIHS-UHFFFAOYSA-N","205324",NA,"PDBC24090","618281","Present"
-"4-Hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one","","C1CCC(=O)C2=C(C1)C=CC=C2O","CMBPOXXNLJWMMA-UHFFFAOYSA-N","384353",NA,"PDBC24091","674060","Present"
-"4-Hydroxy-6-allyl-8-methoxyflavan","","","","","","","","","","","","","","","","","","","","4-Hydroxy-6-allyl-8-methoxy flavan","","COC1=CC(=CC2=C1OC(CC2O)C3=CC=CC=C3)CC=C","ORUKTCUIKZCRKO-UHFFFAOYSA-N","369608",NA,"PDBC24092","641518","Present"
-"4-Hydroxy-6-methoxy-5-methyl-3-(3-methyl-2-butenyl)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-6-methoxy-5-methyl-3-(3-methyl-2-butenyl)-2H-chromen-2-one","","CC1=C(C=CC2=C1C(=C(C(=O)O2)CC=C(C)C)O)OC","DTYFCYVJWTYSBV-UHFFFAOYSA-N","54681654",NA,"PDBC24093","666103","Present"
-"4-Hydroxy-6-methyl-3-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]pyran-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-6-methyl-3-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]pyran-2-one","","CC1=CC(=C(C(=O)O1)C(=NN(C2=CC=CC=C2)C3=CC=CC=C3)C)O","CPMSDWKLQXVAJD-RCCKNPSSSA-N","135455596",NA,"PDBC24094","618491","Present"
-"4-Hydroxy-6-methyl-3-[(E)-C-methyl-N-(methylamino)carbonimidoyl]pyran-2-one","","","","","","","","","","","","","","","","","","","","4-Hydroxy-6-methyl-3-[(E)-C-methyl-N-(methylamino)carbonimidoyl]pyran-2-one","","CC1=CC(=C(C(=O)O1)C(=NNC)C)O","TVNOWMOZRCTHLZ-IZZDOVSWSA-N","135455598",NA,"PDBC24095","618494","Present"
-"4-Hydroxy-7,8-dimethoxy-3-(p-tolylsulfonyl)chromen-2-one","","","","","","","","","","","","","","","","","","","","2-Hydroxy-7,8-dimethoxy-3-(p-tolylsulfonyl)chromen-4-one","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=C(C(=C(C=C3)OC)OC)OC2=O)O","JSWHMIHLYHDNPX-UHFFFAOYSA-N","54690910",NA,"PDBC24096","695621","Present"
-"4-Hydroxy-7-benzyloxyquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","CH-382","","C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)C(=CN3)C(=O)O","ABQKYBVDVAXVNO-UHFFFAOYSA-N","328505",NA,"PDBC24097","306960","Present"
-"4-Hydroxy-8-methyl-2-phenylquinoline","","","","","","","","","","","","","","","","","","","","OR309299","","CC1=C2C(=CC=C1)C(=O)C=C(N2)C3=CC=CC=C3","NGUWFPQUQMBYJN-UHFFFAOYSA-N","373179",NA,"PDBC24098","649128","Present"
-"4-Hydroxy-8-methyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","NS-01470","","CC1=C2C(=CC=C1)C(=CC(=O)O2)O","SWTGXRICOTZSFY-UHFFFAOYSA-N","54676122",NA,"PDBC24099","627380","Present"
-"4-Hydroxy-8-methyl-7-(1-naphthylmethoxy)chromene-2-thione","","","","","","","","","","","","","","","","","","","","4-Hydroxy-8-methyl-7-(1-naphthylmethoxy)chromene-2-thione","","CC1=C(C=CC2=C1OC(=CC2=O)S)OCC3=CC=CC4=CC=CC=C43","NKWSRMXYLDEGLN-UHFFFAOYSA-N","387309",NA,"PDBC24100","681022","Present"
-"4-Hydroxy-8-nitro-2-oxo-3,4-dihydrochromene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Hydroxy-8-nitro-2-oxo-3,4-dihydro-2H-chromene-3-carboxylic acid","","C1=CC2=C(C(=C1)[N+](=O)[O-])OC(=O)C(C2O)C(=O)O","QTLKWSZXEBWSAU-UHFFFAOYSA-N","271639",NA,"PDBC24101","115548","Present"
-"4-Hydroxy-8-oxobicyclo[3.2.1]octane-1-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Hydroxy-8-oxobicyclo[3.2.1]octane-1-carbonitrile","","C1CC2(CCC(C1C2=O)O)C#N","KKHPRVORGDVQTA-UHFFFAOYSA-N","371767",NA,"PDBC24102","646210","Present"
-"4-Hydroxy-9-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione","","","","","","","","","","","","","","","","","","","","4-Hydroxy-9-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione","","CC1(CC(C2=C(O1)C(=O)C3=C(C2=O)C=CC=C3OC)O)C","KHFQDZMHUKNPEI-UHFFFAOYSA-N","386660",NA,"PDBC24103","679186","Present"
-"4-Hydroxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide","","","","","","","","","","","","","","","","","","","","4-Hydroxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide","","C1=CC(=CC=C1C(=O)NCCOCCO)O","YMSBWVMBASYLOC-UHFFFAOYSA-N","360166",NA,"PDBC24104","622099","Present"
-"4-Hydroxy-N-methoxy-N-methylbutanamide","","","","","","","","","","","","","","","","","","","","SC-33563","","CN(C(=O)CCCO)OC","AIKUJZQXDGQFOR-UHFFFAOYSA-N","370774",NA,"PDBC24105","644297","Present"
-"4-Hydroxyaminoquinoline 1-oxide monohydrochloride","","","","","","","","","","","","","","","","","","","","wln: t66 bnj bo emq &gh","","C1=CC=C2C(=C1)C(=NO)C=CN2O.[Cl-]","QSXDAZCGWHRQME-DQMXGCRQSA-M","54599544",NA,"PDBC24106","78572","Present"
-"4-Hydroxybenzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","4-Hydroxybenzo[7]annulen-5-one","","C1=CC2=C(C(=O)C=C1)C(=CC=C2)O","RKYXTQSVLVTUHR-UHFFFAOYSA-N","5387568",NA,"PDBC24107","624776","Present"
-"4-Hydroxybenzo[b]acridine-6,11-dione","","","","","","","","","","","","","","","","","","","","4-Hydroxybenzo[b]acridine-6,11-dione","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C4C(=C3)C=CC=C4O","VCRWCHGPFSJJIG-UHFFFAOYSA-N","370220",NA,"PDBC24108","642964","Present"
-"4-Hydroxybut-2-ynoic acid","","","","","","","","","","","","","","","","","","","","1204AC","","C(C#CC(=O)O)O","QVYMWMSAXULCMW-UHFFFAOYSA-N","359297",NA,"PDBC24109","620042","Present"
-"4-Hydroxycoumarin","","","","","","","","","","","","","","","","","","","","Benzotetronic acid","","C1=CC=C2C(=C1)C(=CC(=O)O2)O","VXIXUWQIVKSKSA-UHFFFAOYSA-N","54682930",NA,"PDBC24110","11889","Present"
-"4-Hydroxydodec-2-ynamide","","","","","","","","","","","","","","","","","","","","4-Hydroxydodec-2-ynamide","","CCCCCCCCC(C#CC(=O)N)O","TUKKBKSLJNRWOH-UHFFFAOYSA-N","332722",NA,"PDBC24111","331766","Present"
-"4-Hydroxyproline","","","","","","","","","","","","","","","","","","","","cis-hydroxyproline","","C1C(CNC1C(=O)O)O","PMMYEEVYMWASQN-UHFFFAOYSA-N","825",NA,"PDBC24112","206274","Present"
-"4-Hydroxyquinoline-3-carboxylic acid deriv.","","","","","","","","","","","","","","","","","","","","STL323310","","C=CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)O","NQUWFGFEYQNQPA-UHFFFAOYSA-N","54680428",NA,"PDBC24113","675792","Present"
-"4-Hydroxysapriparaquinone","","","","","","","","","","","","","","","","","","","","4-Hydroxy-sapriparaquinone","","CC1=C(C2=C(C=C1)C(=C(C(=O)C2=O)C(C)C)O)CCCC(C)(C)O","JXUXYSQVWDPEEX-UHFFFAOYSA-N","372742",NA,"PDBC24114","648342","Present"
-"4-Hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1',3'-dione","","","","","","","","","","","","","","","","","","","","4-Hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1',3'-dione","","C1CC(=O)C2(C1=O)CCC3=C2C(=CC=C3)O","JECZIBQJABUSGL-UHFFFAOYSA-N","360673",NA,"PDBC24115","622991","Present"
-"4-Hydroxystachydrine","","","","","","","","","","","","","","","","","","","","4-hydroxy-stachydrine","","C[N+]1(CC(CC1C(=O)[O-])O)C","MUNWAHDYFVYIKH-PRJDIBJQSA-N","375481",NA,"PDBC24116","655264","Present"
-"4-Imidazo[2,1-b][1,3]thiazol-6-yl-5-nitrobenzene-1,2-diol","","","","","","","","","","","","","","","","","","","","4-Imidazo[2,1-b][1,3]thiazol-6-yl-5-nitrobenzene-1,2-diol","","C1=CSC2=NC(=CN21)C3=CC(=C(C=C3[N+](=O)[O-])O)O","ZZKFODLJYUVDHB-UHFFFAOYSA-N","24205086",NA,"PDBC24117","734219","Present"
-"4-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,2-diol","","","","","","","","","","","","","","","","","","","","4-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,2-diol","","C1=CC(=C(C=C1C2=CN3C=CSC3=N2)O)O","XQIPURLLTAKOMI-UHFFFAOYSA-N","11368260",NA,"PDBC24118","734220","Present"
-"4-Imidazolidinecarboxylic acid, 5-[(aminocarbonyl)amino]-2-oxo-1,3-bis(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","1,3-Dibenzyl-5-(carbamoylamino)-2-oxoimidazolidine-4-carboxylic acid","","C1=CC=C(C=C1)CN2C(C(N(C2=O)CC3=CC=CC=C3)NC(=O)N)C(=O)O","KBAMQSBJKLGFGF-UHFFFAOYSA-N","368269",NA,"PDBC24119","638725","Present"
-"4-Imidazolidinecarboxylic acid, 5-[(aminocarbonyl)amino]-2-oxo-1,3-bis(phenylmethyl)-, ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 1,3-dibenzyl-5-(carbamoylamino)-2-oxoimidazolidine-4-carboxylate","","CCOC(=O)C1C(N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)N","QUAHIQSUJSPESD-UHFFFAOYSA-N","368268",NA,"PDBC24120","638724","Present"
-"4-Imidazolidinone, 3-hydroxy-2,2,5,5-tetramethyl-1-nitroso-","","","","","","","","","","","","","","","","","","","","4-Imidazolidinone, 3-hydroxy-2,2,5,5-tetramethyl-1-nitroso-","","CC1(C(=O)N(C(N1N=O)(C)C)O)C","HSYRZAQQWNANDG-UHFFFAOYSA-N","378669",NA,"PDBC24121","661466","Present"
-"4-Imidazolidinone, 5-(1-methylethyl)-3-(pentafluorophenyl)-1-[2-(phenylsulfinyl)ethyl]-2-thioxo-","","","","","","","","","","","","","","","","","","","","4-Imidazolidinone, 5-(1-methylethyl)-3-(pentafluorophenyl)-1-[2-(phenylsulfinyl)ethyl]-2-thioxo-","","CC(C)C1C(=O)N(C(=S)N1CCS(=O)C2=CC=CC=C2)C3=C(C(=C(C(=C3F)F)F)F)F","AESMQOQXEXROQB-UHFFFAOYSA-N","386073",NA,"PDBC24122","677646","Present"
-"4-Imino-3,8-diphenyl-5-(p-tolyl)-1H-pyrido[2,3-d]pyrimidine-2,7-dithione","","","","","","","","","","","","","","","","","","","","4-Imino-3,8-diphenyl-5-(p-tolyl)-1H-pyrido[2,3-d]pyrimidine-2,7-dithione","","CC1=CC=C(C=C1)C2=CC(=S)N(C3=NC(=S)N(C(=C23)N)C4=CC=CC=C4)C5=CC=CC=C5","QUXIDKHYGZLMSZ-UHFFFAOYSA-N","3004426",NA,"PDBC24123","652279","Present"
-"4-Imino-3-methyl-3,4,5,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-1,6(2H)-dione","","","","","","","","","","","","","","","","","","","","4-Imino-3-methyl-3,4,5,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-1,6(2H)-dione","","CC1C2=C(CC(=O)N=C2N)C(=O)N1","IUDKYLYSBHWDOM-UHFFFAOYSA-N","369984",NA,"PDBC24124","642506","Present"
-"4-Imino-3-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","4-Imino-3-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-one","","CN1C(=C2C3=C(CCCC3)SC2=NC1=O)N","FCYSJAMFZDTCSI-UHFFFAOYSA-N","386693",NA,"PDBC24125","679223","Present"
-"4-Imino-6,8-dimethyl-1,4-dihydro-1,2,4-triazino-[4,3-e]purine-7,9(6h,8h)-dione-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Amino-6,8-dimethyl-7,9-dioxopurino[8,9-c][1,2,4]triazine-3-carbonitrile","","CN1C2=C(C(=O)N(C1=O)C)N=C3N2C(=C(N=N3)C#N)N","XXBZUFNNHXTBSP-UHFFFAOYSA-N","404389",NA,"PDBC24126","720606","Present"
-"4-Imino-9,9-dimethoxy-furo[3,2-g]chromen-7-one","","","","","","","","","","","","","","","","","","","","4-Imino-9,9-dimethoxy-furo[3,2-g]chromen-7-one","","COC1(C2=C(C=CC(=O)O2)C(=N)C3=C1OC=C3)OC","VJZJHRJJIFNKED-UHFFFAOYSA-N","391136",NA,"PDBC24127","689862","Present"
-"4-Imino-N-pentyl-1,2,5-oxadiazol-3-amine","","","","","","","","","","","","","","","","","","","","4-Imino-N-pentyl-1,2,5-oxadiazol-3-amine","","CCCCCNC1=NON=C1N","ZGNGVWAGEYCMLK-UHFFFAOYSA-N","392980",NA,"PDBC24128","694222","Present"
-"4-Indanamine, N-(2-oxazolinyl)-","","","","","","","","","","","","","","","","","","","","LS-81071","","C1CC2=C(C1)C(=CC=C2)NC3=NCCO3","SQFANIIAUQAPRG-UHFFFAOYSA-N","379597",NA,"PDBC24129","664292","Present"
-"4-Iodo-2-isothiocyanato-1-methylbenzene","","","","","","","","","","","","","","","","","","","","4-Iodo-2-isothiocyanato-1-methylbenzene","","CC1=C(C=C(C=C1)I)N=C=S","WAPWMDSBINGNQB-UHFFFAOYSA-N","280607",NA,"PDBC24130","132390","Present"
-"4-Iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CNCCN2CCOCC2)I.Cl","DBGFSIOLVVGJNH-UHFFFAOYSA-N","45028509",NA,"PDBC24131","743060","Present"
-"4-Iodo-2-methyl-6-[(3-thiomorpholin-4-ylpropylamino)methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[(3-thiomorpholin-4-ylpropylamino)methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CNCCCN2CCSCC2)I.Cl","CRCXMLIBYCDWNE-UHFFFAOYSA-N","45028527",NA,"PDBC24132","743070","Present"
-"4-Iodo-2-methyl-6-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCN2CCOCC2)I.Cl","MMQLFTLBESZHDY-UHFFFAOYSA-N","45028507",NA,"PDBC24133","743059","Present"
-"4-Iodo-2-methyl-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCN2CCCC2)I.Cl","YDDBONWDAWRHQL-UHFFFAOYSA-N","45028511",NA,"PDBC24134","743061","Present"
-"4-Iodo-2-methyl-6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCCN2CCOCC2)I.Cl","MTFAJOUHYQDBCS-UHFFFAOYSA-N","45028506",NA,"PDBC24135","743058","Present"
-"4-Iodo-2-methyl-6-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCCN2CCCCC2)I.Cl","QXINGRVGTRKYBN-UHFFFAOYSA-N","45028514",NA,"PDBC24136","743063","Present"
-"4-Iodo-2-methyl-6-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCCN2CCCC2)I.Cl","SKUXFZDDXIUWPI-UHFFFAOYSA-N","45028513",NA,"PDBC24137","743062","Present"
-"4-Iodo-2-methyl-6-[[methyl(3-thiomorpholin-4-ylpropyl)amino]methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[[methyl(3-thiomorpholin-4-ylpropyl)amino]methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCCN2CCSCC2)I.Cl","YIGCRMKURBBDAX-UHFFFAOYSA-N","45028525",NA,"PDBC24138","743069","Present"
-"4-Iodo-2-methyl-6-[[methyl(4-piperidin-1-ylbutyl)amino]methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[[methyl(4-piperidin-1-ylbutyl)amino]methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCCCN2CCCCC2)I.Cl","FQQMKBCFZABIHK-UHFFFAOYSA-N","45028523",NA,"PDBC24139","743068","Present"
-"4-Iodo-2-methyl-6-[[methyl(4-pyrrolidin-1-ylbutyl)amino]methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[[methyl(4-pyrrolidin-1-ylbutyl)amino]methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCCCN2CCCC2)I.Cl","JSYVXIKQGMVDCH-UHFFFAOYSA-N","45028515",NA,"PDBC24140","743064","Present"
-"4-Iodo-2-methyl-6-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol;hydrochloride","","CC1=CC(=CC(=C1O)CN(C)CCCN2CCN(CC2)C)I.Cl","SGUMNJSBULSUPZ-UHFFFAOYSA-N","45028537",NA,"PDBC24141","743075","Present"
-"4-Iodo-2-methyl-6-[[methyl-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Iodo-2-methyl-6-[[methyl-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]phenol;hydrochloride","","CC1CCN(CC1)CCCN(C)CC2=C(C(=CC(=C2)I)C)O.Cl","HEFVXFYRFXHWDE-UHFFFAOYSA-N","45028535",NA,"PDBC24142","743074","Present"
-"4-Iodo-3-aminobenzamide","","","","","","","","","","","","","","","","","","","","4-Iodo-3-aminobenzamide","","C1=CC(=C(C=C1C(=O)N)N)I","FCKRJXJKNQKDRV-UHFFFAOYSA-N","24799919",NA,"PDBC24143","753688","Present"
-"4-Iodo-3-nitrosobenzamide","","","","","","","","","","","","","","","","","","","","4-Iodo-3-nitrosobenzamide","","C1=CC(=C(C=C1C(=O)N)N=O)I","IRIFRGXKPWAGNP-UHFFFAOYSA-N","10333641",NA,"PDBC24144","753689","Present"
-"4-Iodo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Iodo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid","","CC1=NOC(=C1)C2=C(C=C(N2)C(=O)O)I","JLLYJTMMRKNJRI-UHFFFAOYSA-N","392917",NA,"PDBC24145","694101","Present"
-"4-Iodo-N,N-diisopropyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","4-Iodo-N,N-diisopropyl-1-cubanecarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45I","WCVGLNVAMUMZJP-UHFFFAOYSA-N","369187",NA,"PDBC24146","640893","Present"
-"4-Iodo-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-N-phenylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Iodo-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-N-phenylbenzenesulfonamide","","C1=CC=C(C=C1)N(S(=O)(=O)C2=CC=C(C=C2)I)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","JCGLIQAQERTLFS-UHFFFAOYSA-N","403682",NA,"PDBC24147","718806","Present"
-"4-Iodo-N-(2-(4-morpholinyl)ethyl)benzamide","","","","","","","","","","","","","","","","","","","","Ro 11-9900","","C1COCCN1CCNC(=O)C2=CC=C(C=C2)I","SRCOTPAWAAQWLW-UHFFFAOYSA-N","198477",NA,"PDBC24148","665375","Present"
-"4-Iodobenzo[d][1,3]dioxole-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","FCH4337955","","C1OC2=C(O1)C(=C(C=C2)C=O)I","ARKKTWBAEZXJQO-UHFFFAOYSA-N","372296",NA,"PDBC24149","647355","Present"
-"4-Iodocubane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Iodocubane-1-carboxylic acid","","C12C3C4C1(C5C2C3(C45)I)C(=O)O","UQMHINRLKQGLQV-UHFFFAOYSA-N","369186",NA,"PDBC24150","640892","Present"
-"4-Ipomeanol","","","","","","","","","","","","","","","","","","","","4-IPOMEANOL","","CC(CCC(=O)C1=COC=C1)O","RJYQLMILDVERHH-UHFFFAOYSA-N","36284",NA,"PDBC24151","349438","Present"
-"4-Isonicotinoyl-3,5-diphenyl-1,7-di(4-pyridinyl)-1,7-heptanedione","","","","","","","","","","","","","","","","","","","","4-Isonicotinoyl-3,5-diphenyl-1,7-di(4-pyridinyl)-1,7-heptanedione","","C1=CC=C(C=C1)C(CC(=O)C2=CC=NC=C2)C(C(CC(=O)C3=CC=NC=C3)C4=CC=CC=C4)C(=O)C5=CC=NC=C5","BAIRWLPOLHKPMR-UHFFFAOYSA-N","392290",NA,"PDBC24152","692424","Present"
-"4-Isopropyl-1-phenyl-[1,2,4]triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Isopropyl-1-phenyl-[1,2,4]triazolidine-3,5-dione","","CC(C)N1C(=O)NN(C1=O)C2=CC=CC=C2","HEFCYORAFRVAAZ-UHFFFAOYSA-N","390093",NA,"PDBC24153","687036","Present"
-"4-Isopropyl-2-(1-methoxy-2-naphthyl)-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","4-Isopropyl-2-(1-methoxy-2-naphthyl)-4,5-dihydro-1,3-oxazole","","CC(C)C1COC(=N1)C2=C(C3=CC=CC=C3C=C2)OC","FILGJUXQDDKPMD-UHFFFAOYSA-N","370748",NA,"PDBC24154","644271","Present"
-"4-Isopropyl-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole","","","","","","","","","","","","","","","","","","","","4-Isopropyl-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole","","CC(C)C1COC(=N1)C2=CC(=CC=C2)OC","SHTHIWBKEFNLPE-UHFFFAOYSA-N","370744",NA,"PDBC24155","644267","Present"
-"4-Isopropyl-2-methyl-1,3-oxazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","4-Isopropyl-2-methyl-1,3-oxazol-5(4H)-one","","CC1=NC(C(=O)O1)C(C)C","VSYHWTNTZROWMJ-UHFFFAOYSA-N","366908",NA,"PDBC24156","635968","Present"
-"4-Isopropyl-3-(isopropylamino)-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-Isopropyl-3-(isopropylamino)-1H-1,2,4-triazol-5-one","","CC(C)NC1=NNC(=O)N1C(C)C","GHWBEQHKDWCYSR-UHFFFAOYSA-N","391621",NA,"PDBC24157","691107","Present"
-"4-Isopropyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione","","","","","","","","","","","","","","","","","","","","4-Isopropyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione","","CC(C)N1C(=NC)SSC1=S","UGMXQNSDZDWWPU-UHFFFAOYSA-N","375836",NA,"PDBC24158","656084","Present"
-"4-Isopropyl-7-[(4-isopropyl-6-methoxy-7-oxo-cyclohepta-1,3,5-trien-1-yl)-(4-methoxyphenyl)methyl]-2-methoxy-cyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","2-Methoxy-7-[(6-methoxy-7-oxo-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one","","CC(C)C1=CC=C(C(=O)C(=C1)OC)C(C2=CC=C(C=C2)OC)C3=CC=C(C=C(C3=O)OC)C(C)C","WJFOTWNIPNNKTM-UHFFFAOYSA-N","361698",NA,"PDBC24159","624920","Present"
-"4-Isopropyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride","","","","","","","","","","","","","","","","","","","","4-i-Propyl-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride","","CC(C)C1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","QFCQZCWNORKKER-UHFFFAOYSA-N","373804",NA,"PDBC24160","650768","Present"
-"4-Isopropyl-N-(3,4,5-trimethoxybenzylidene)aniline","","","","","","","","","","","","","","","","","","","","4-i-Propyl-N-(3,4,5-trimethoxybenzylene)aniline","","CC(C)C1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","BNJVKTRSEJDNPE-UHFFFAOYSA-N","373812",NA,"PDBC24161","650775","Present"
-"4-Isothiazolecarbonitrile","","","","","","","","","","","","","","","","","","","","4-cyanoisothiazole","","C1=C(C=NS1)C#N","OCYPFRDEUKBLNI-UHFFFAOYSA-N","138077",NA,"PDBC24162","625191","Present"
-"4-Mercapto-6-((2,3,4,5,6-pentachlorobenzyl)thio)-1,3,5-triazin-2-ol","","","","","","","","","","","","","","","","","","","","4-Mercapto-6-((2,3,4,5,6-pentachlorobenzyl)thio)-1,3,5-triazin-2-ol","","C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)SC2=NC(=S)NC(=O)N2","RGHGLIUDJMATHB-UHFFFAOYSA-N","3003880",NA,"PDBC24163","209931","Present"
-"4-Methoxy-1-[[1-[(2,3-dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","3-[[4-[(4-Methoxypyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","COC1=NC=NC2=C1C=NN2CC3=CN(N=N3)COCC(CO)O","YSZQZNUFKPMQRS-UHFFFAOYSA-N","398134",NA,"PDBC24164","707561","Present"
-"4-Methoxy-1-methylpyridin-1-ium;iodide","","","","","","","","","","","","","","","","","","","","4-Methoxy-1-methylpyridin-1-ium;iodide","","C[N+]1=CC=C(C=C1)OC.[I-]","MEHRYCVXEMWHSN-UHFFFAOYSA-M","359204",NA,"PDBC24165","619914","Present"
-"4-Methoxy-1-phenyl-1H-indazole-5-acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","LS-81401","","COC1=C(C=CC2=C1C=NN2C3=CC=CC=C3)CC(=O)OC","ZNRVIFBCDSXYAO-UHFFFAOYSA-N","378733",NA,"PDBC24166","661833","Present"
-"4-Methoxy-14-phenylsulfanyl-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one","","","","","","","","","","","","","","","","","","","","4-Methoxy-14-phenylsulfanyl-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one","","COC1=C2C=C(CCC(=O)OCCC(C3=CC=C(O2)C=C3)SC4=CC=CC=C4)C=C1","ALLBCYIXUFOALQ-UHFFFAOYSA-N","388339",NA,"PDBC24167","683130","Present"
-"4-Methoxy-2,2,8,8-tetramethyl-hexahydro-1,3,5,7,9-pentaoxa-cyclopenta[a]naphthalene","","","","","","","","","","","","","","","","","","","","4-Methoxy-2,2,8,8-tetramethyl-hexahydro-1,3,5,7,9-pentaoxa-cyclopenta[a]naphthalene","","CC1(OCC2C(O1)C3C(C(O2)OC)OC(O3)(C)C)C","HKUZYSYUFMRRNR-UHFFFAOYSA-N","388759",NA,"PDBC24168","683837","Present"
-"4-Methoxy-2,3,5-triazine","","","","","","","","","","","","","","","","","","","","4-methoxy-2,6-bis[hydroxy(methyl)amino]-1,3,5-triazine","","CN(C1=NC(=NC(=N1)OC)N(C)O)O","HQAHWTQLPXNUQZ-UHFFFAOYSA-N","46191705",NA,"PDBC24169","749909","Present"
-"4-Methoxy-2-(1-naphthylmethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-Methoxy-2-(1-naphthylmethyl)benzoic acid","","COC1=CC(=C(C=C1)C(=O)O)CC2=CC=CC3=CC=CC=C32","FFBLTNMONYFQRW-UHFFFAOYSA-N","362075",NA,"PDBC24170","625597","Present"
-"4-Methoxy-2-(2-naphthylmethyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-Methoxy-2-(2-naphthylmethyl)benzoic acid","","COC1=CC(=C(C=C1)C(=O)O)CC2=CC3=CC=CC=C3C=C2","DCQSZHWAMMEBFI-UHFFFAOYSA-N","362059",NA,"PDBC24171","625581","Present"
-"4-Methoxy-2-(methoxymethoxy)benzaldehyde","","","","","","","","","","","","","","","","","","","","DA-39244","","COCOC1=C(C=CC(=C1)OC)C=O","JJCXYLBDGWBBBP-UHFFFAOYSA-N","397421",NA,"PDBC24172","705167","Present"
-"4-Methoxy-2-[(E)-2-nitroethenyl]cyclohexan-1-ol","","","","","","","","","","","","","","","","","","","","4-Methoxy-2-[(E)-2-nitroethenyl]cyclohexan-1-ol","","COC1CCC(C(C1)C=C[N+](=O)[O-])O","QYXZOFLIRWHLBP-SNAWJCMRSA-N","5385422",NA,"PDBC24173","404886","Present"
-"4-Methoxy-2-[(Z)-(phenylhydrazinylidene)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-Methoxy-2-[(Z)-(phenylhydrazinylidene)methyl]phenol","","COC1=CC(=C(C=C1)O)C=NNC2=CC=CC=C2","YMPXJVNODYUEOL-GDNBJRDFSA-N","135491062",NA,"PDBC24174","204682","Present"
-"4-Methoxy-2-nitrobenzaldehyde","","","","","","","","","","","","","","","","","","","","KSC495O7F","","COC1=CC(=C(C=C1)C=O)[N+](=O)[O-]","KLTDQLIGNSBZPO-UHFFFAOYSA-N","357691",NA,"PDBC24175","617208","Present"
-"4-Methoxy-2-phenyl-1H-pyrrolo[2,3-d]pyridazine","","","","","","","","","","","","","","","","","","","","4-Methoxy-2-phenyl-1H-pyrrolo[2,3-d]pyridazine","","COC1=C2C=C(NC2=CN=N1)C3=CC=CC=C3","XBUJBNGRWIIGKJ-UHFFFAOYSA-N","5471457",NA,"PDBC24176","711312","Present"
-"4-Methoxy-2-phenylpyrido[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","4-Methoxy-2-phenylpyrido[1,2-a]benzimidazole","","COC1=CC(=CN2C1=NC3=CC=CC=C32)C4=CC=CC=C4","FPMGSWJXNWIVDN-UHFFFAOYSA-N","384467",NA,"PDBC24177","674269","Present"
-"4-Methoxy-2-pyridin-2-yl-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","US8748618, AI-4-52","","COC1=CC=CC2=C1N=C(N2)C3=CC=CC=N3","CAMACGXEVMSAMT-UHFFFAOYSA-N","330939",NA,"PDBC24178","320656","Present"
-"4-Methoxy-3-((6-methoxy-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","4-Methoxy-3-((6-methoxy-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)-2(5H)-furanone","","COC1=C(C(=O)OC1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=CC4=C(C=C3OC)OCO4","BIIJSIZRQISSMR-UHFFFAOYSA-N","380091",NA,"PDBC24179","665489","Present"
-"4-Methoxy-3-(3-methoxyphenyl)-N-[4-[(E)-2-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethenyl]phenyl]benzamide","","","","","","","","","","","","","","","","","","","","(E)-3',6-dimethoxy-N-(4-(4-((1-methylpiperidin-4-yl)oxy)...","","CN1CCC(CC1)OC2=CC=C(C=C2)C=CC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)C5=CC(=CC=C5)OC","VNRXMBOHLCIKQQ-BQYQJAHWSA-N","155807190",NA,"PDBC24180","797898","Present"
-"4-Methoxy-3-[[3-[[4-[(4-methoxy-3-quinolyl)sulfanyl]-3-quinolyl]sulfanylmethylsulfanyl]-4-quinolyl]sulfanyl]quinoline","","","","","","","","","","","","","","","","","","","","4-Methoxy-3-[3-[[4-(4-methoxyquinolin-3-yl)sulfanylquinolin-3-yl]sulfanylmethylsulfanyl]quinolin-4-yl]sulfanylquinoline","","COC1=C(C=NC2=CC=CC=C21)SC3=C(C=NC4=CC=CC=C43)SCSC5=C(C6=CC=CC=C6N=C5)SC7=C(C8=CC=CC=C8N=C7)OC","GTVMXVJSJLITHC-UHFFFAOYSA-N","393153",NA,"PDBC24181","694564","Present"
-"4-Methoxy-3-nitro-N-phenylbenzamide","","","","","","","","","","","","","","","","","","","","3-Nitro-p-anisanilide","","COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)[N+](=O)[O-]","YKOCPBMVMBUTAX-UHFFFAOYSA-N","7331",NA,"PDBC24182","50649","Present"
-"4-Methoxy-3H-phenanthro[9,10-d]imidazole","","","","","","","","","","","","","","","","","","","","4-Methoxy-3H-phenanthro[9,10-d]imidazole","","COC1=CC=CC2=C1C3=C(C4=CC=CC=C24)N=CN3","DIZVLGVGMAUZHV-UHFFFAOYSA-N","395747",NA,"PDBC24183","700547","Present"
-"4-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","4-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene","","COC1=CC=CC2=C1OCC3C2OC4=CC=CC=C4C3","RPAWZCPKBNNXHU-UHFFFAOYSA-N","387588",NA,"PDBC24184","681597","Present"
-"4-Methoxy-7-phenyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine","","","","","","","","","","","","","","","","","","","","5-Benzyloxymethyl-4-methoxy-7-pheny l-5H-pyrrolo[3,2-d]p...","","COC1=NC=NC2=C1N(C=C2C3=CC=CC=C3)COCC4=CC=CC=C4","IQEMGHFNSAHCHO-UHFFFAOYSA-N","155804975",NA,"PDBC24185","754811","Present"
-"4-Methoxy-7-phenyl-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole","","","","","","","","","","","","","","","","","","","","4-Methoxy-7-phenyl-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole","","COC1=CC2=NN(N=C2C3=NON=C13)C4=CC=CC=C4","RTCKXCZPNDXXDC-UHFFFAOYSA-N","379414",NA,"PDBC24186","663956","Present"
-"4-Methoxy-8-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine","","","","","","","","","","","","","","","","","","","","4-Methoxy-8-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine","","CC1=C2N=NC=C(N2N=C1C3=CC=CC=C3)OC","DYDICCJCIZKTSS-UHFFFAOYSA-N","394453",NA,"PDBC24187","697927","Present"
-"4-Methoxy-9-oxo-6,9-dihydro-5H-benzo[a]cyclohepten-1-yl acetate","","","","","","","","","","","","","","","","","","","","4-Methoxy-9-oxo-6,9-dihydro-5H-benzo[a]cyclohepten-1-yl acetate","","CC(=O)OC1=C2C(=C(C=C1)OC)CCC=CC2=O","RSQBNLPMBPKSEU-UHFFFAOYSA-N","361611",NA,"PDBC24188","624796","Present"
-"4-Methoxy-N'-(3,6,8-tetramethyl-1-oxo-3,4-dihydronaphthalen-2(1H)-ylidene)benzohydrazide","","","","","","","","","","","","","","","","","","","","4-Methoxy-N'-(3,3,6,8-tetramethyl-1-oxo-3,4-dihydronapht...","","CC1=CC(=C2C(=C1)CC(C(=NNC(=O)C3=CC=C(C=C3)OC)C2=O)(C)C)C","JLXKWJGTZIPHBG-BSYVCWPDSA-N","5771675",NA,"PDBC24189","310343","Present"
-"4-Methoxy-N'-(methylsulfonyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Methoxy-N'-(methylsulfonyl)benzenesulfonohydrazide","","COC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)C","UAMYEQHRQGNODE-UHFFFAOYSA-N","368839",NA,"PDBC24190","640164","Present"
-"4-Methoxy-N-(1-(4-pyridinyl)ethylidene)aniline","","","","","","","","","","","","","","","","","","","","4-Methoxy-N-(1-(4-pyridinyl)ethylidene)aniline","","CC(=NC1=CC=C(C=C1)OC)C2=CC=NC=C2","BPUCAMLLVBHOTF-UHFFFAOYSA-N","383461",NA,"PDBC24191","671847","Present"
-"4-Methoxy-N-(2,2,2-trifluoro-1-(((4-methylphenyl)sulfinyl)methyl)ethylidene)aniline","","","","","","","","","","","","","","","","","","","","4-Methoxy-N-(2,2,2-trifluoro-1-(((4-methylphenyl)sulfinyl)methyl)ethylidene)aniline","","CC1=CC=C(C=C1)S(=O)CC(=NC2=CC=C(C=C2)OC)C(F)(F)F","KHWPZNXULSJWRN-UHFFFAOYSA-N","391998",NA,"PDBC24192","691787","Present"
-"4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline","","","","","","","","","","","","","","","","","","","","N-(3,4,5-Trimethoxybenzyl)-4-methoxyaniline","","COC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC","VZXKFUZYRHTORS-UHFFFAOYSA-N","364716",NA,"PDBC24193","631374","Present"
-"4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride","","","","","","","","","","","","","","","","","","","","N-(3,4,5-Trimethoxybenzyl)-4-methoxyaniline hydrochloride","","COC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","LPQHSPCKVORGKS-UHFFFAOYSA-N","372855",NA,"PDBC24194","648543","Present"
-"4-Methoxy-N-(3,4,5-trimethoxybenzylidene)aniline","","","","","","","","","","","","","","","","","","","","4-Methoxy-N-(3,4,5-trimethoxybenzylene)aniline","","COC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","OLLQPFXQODPYCB-UHFFFAOYSA-N","373989",NA,"PDBC24195","651019","Present"
-"4-Methoxy-N-(3-((4-methoxyphenyl)imino)-1-propenyl)aniline","","","","","","","","","","","","","","","","","","","","4-Methoxy-N-(3-((4-methoxyphenyl)imino)-1-propenyl)aniline","","COC1=CC=C(C=C1)NC=CC=NC2=CC=C(C=C2)OC","LORCEWWAJPOOFS-OCYUQXDLSA-N","5907478",NA,"PDBC24196","676466","Present"
-"4-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide","","","","","","","","","","","","","","","","","","","","4-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide","","COC1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)OC","IRPMIOYAHIORNC-UHFFFAOYSA-N","385381",NA,"PDBC24197","676555","Present"
-"4-Methoxy-N-[(4-methoxybenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Methoxy-N-[(4-methoxybenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","COC1=CC=C(C=C1)C(=O)N(CC2=CN=CC=C2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)OC","XRJSBMJMXOKISM-UHFFFAOYSA-N","401371",NA,"PDBC24198","714683","Present"
-"4-Methoxy-N-[3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzamide","","","","","","","","","","","","","","","","","","","","4-methoxy-N-(3-(5,6,7-trimethoxy-4-oxochroman-2-yl)pheny...","","COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC","DFCKZGPQEXPUQQ-UHFFFAOYSA-N","155817367",NA,"PDBC24199","798179","Present"
-"4-Methoxy-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Methoxy-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide","","CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=C(C=C1)OC","OSSMOQNKKFMJAJ-UHFFFAOYSA-N","368840",NA,"PDBC24200","640165","Present"
-"4-Methoxy-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo[5,4-e]isoindol-6-yl]phenol","","","","","","","","","","","","","","","","","","","","4-methoxy-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-i...","","COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=C(C=C4)OC)CCC5=C3ON=C5","JSHPAVXOZAPEHH-UHFFFAOYSA-N","60148279",NA,"PDBC24201","754085","Present"
-"4-Methoxy-alpha-pyridylbenzyl alcohol","","","","","","","","","","","","","","","","","","","","Z2379087677","","COC1=CC=C(C=C1)C(C2=CC=CC=N2)O","OQFKODRWEHYZQP-UHFFFAOYSA-N","99004",NA,"PDBC24202","163361","Present"
-"4-Methoxy-beta-nitrostyrene","","","","","","","","","","","","","","","","","","","","4-Methoxy-","","COC1=CC=C(C=C1)C=C[N+](=O)[O-]","JKQUXSHVQGBODD-VOTSOKGWSA-N","697963",NA,"PDBC24203","23856","Present"
-"4-Methoxyamphetamine","","","","","","","","","","","","","","","","","","","",".alpha.-Methyl-.beta.-(p-methoxyphenyl)ethylamine","","CC(CC1=CC=C(C=C1)OC)N","NEGYEDYHPHMHGK-UHFFFAOYSA-N","31721",NA,"PDBC24204","32757","Present"
-"4-Methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","4-Methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone","","COC1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4","BUUNURYMLXPEPA-HZHRSRAPSA-N","9571454",NA,"PDBC24205","666356","Present"
-"4-Methoxybenzeneacrylic acid 3,5-dihydroxyphenyl ester","","","","","","","","","","","","","","","","","","","","NSC175296","","COC1=CC=C(C=C1)C=CC(=O)OC2=CC(=CC(=C2)O)O","MFSAWRZYKSSGKY-QPJJXVBHSA-N","5351253",NA,"PDBC24206","175296","Present"
-"4-Methoxybenzyl 1-(((1-(aminocarbonyl)-4-methoxybutyl)amino)carbonyl)-3-methylbutylcarbamate","","","","","","","","","","","","","","","","","","","","4-Methoxybenzyl 1-(((1-(aminocarbonyl)-4-methoxybutyl)amino)carbonyl)-3-methylbutylcarbamate","","CC(C)CC(C(=O)NC(CCCOC)C(=O)N)NC(=O)OCC1=CC=C(C=C1)OC","BCHHPJSWWFXRKG-UHFFFAOYSA-N","382704",NA,"PDBC24207","670352","Present"
-"4-Methoxybenzyl 2-((3-acetyl-2-phenyl-1,3-thiazolidin-4-yl)carbonyl)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","4-Methoxybenzyl 2-((3-acetyl-2-phenyl-1,3-thiazolidin-4-yl)carbonyl)hydrazinecarboxylate","","CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NNC(=O)OCC3=CC=C(C=C3)OC","JULVIBILHMRRNE-UHFFFAOYSA-N","381979",NA,"PDBC24208","669299","Present"
-"4-Methoxybicyclo[2.2.2]octa-2,5-diene-3-carbonitrile; 4-methoxybicyclo[2.2.2]oct-2-en-5-one","","","","","","","","","","","","","","","","","","","","Dimer of 1-methoxybicyclo[2.2.2]oct-5-en-2-one and 2-cya...","","COC12CCC(CC1=O)C=C2.COC12CCC(C=C1)C=C2C#N","UXCJFIDQWGIKQX-UHFFFAOYSA-N","377221",NA,"PDBC24209","658457","Present"
-"4-Methoxycarbonylcubanecarboxylic acid","","","","","","","","","","","","","","","","","","","","ZXBA000421","","COC(=O)C12C3C4C1C5C2C3C45C(=O)O","ARRJEFLYRAVFJA-UHFFFAOYSA-N","369179",NA,"PDBC24210","640885","Present"
-"4-Methoxydalbergione","","","","","","","","","","","","","","","","","","","","DALBERGIONE","","COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2","RGSUZUQISVAJJF-UHFFFAOYSA-N","99926",NA,"PDBC24211","269121","Present"
-"4-Methoxyfluoren-9-one","","","","","","","","","","","","","","","","","","","","NSC48269","","COC1=CC=CC2=C1C3=CC=CC=C3C2=O","HJJLIJKROVLQPG-UHFFFAOYSA-N","241139",NA,"PDBC24212","48269","Present"
-"4-Methoxyphenol","","","","","","","","","","","","","","","","","","","","hqmme","","COC1=CC=C(C=C1)O","NWVVVBRKAWDGAB-UHFFFAOYSA-N","9015",NA,"PDBC24213","4960","Present"
-"4-Methoxyphenyl 2,3,4-tri-O-benzylhexopyranoside","","","","","","","","","","","","","","","","","","","","[3,4,5-Tribenzyloxy-6-(4-methoxyphenoxy)tetrahydropyran-2-yl]methanol","","COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","WNPZBHFSUQAYQA-UHFFFAOYSA-N","380509",NA,"PDBC24214","666124","Present"
-"4-Methyl-1,1-diphenyl-1,2,3,4-tetrahydrobenzo(h)phosphinolinium hexafluorophosphate","","","","","","","","","","","","","","","","","","","","4-Methyl-1,1-diphenyl-1,2,3,4-tetrahydrobenzo(h)phosphinolinium hexafluorophosphate","","CC1CC[P+](C2=C1C=CC3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F","LVIVKPZSJGBMDL-UHFFFAOYSA-N","498151",NA,"PDBC24215","245398","Present"
-"4-Methyl-1,1-diphenylphosphinan-1-ium;bromide","","","","","","","","","","","","","","","","","","","","4-Methyl-1,1-diphenylphosphinan-1-ium;bromide","","CC1CC[P+](CC1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","PBWCXYPQXBFZBV-UHFFFAOYSA-M","357557",NA,"PDBC24216","617035","Present"
-"4-Methyl-1,2,3-benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","4-Methyl-1,2,3-benzodithiazol-1-ium;chloride","","CC1=CC=CC2=[S+]SN=C12.[Cl-]","QPWXLJAXRRJZQH-UHFFFAOYSA-M","24202293",NA,"PDBC24217","636818","Present"
-"4-Methyl-1,2-bis(trifluoromethyl)-1,2,3,6-tetrahydro-1,2-diphosphinine","","","","","","","","","","","","","","","","","","","","4-Methyl-1,2-bis(trifluoromethyl)-1,2,3,6-tetrahydro-1,2-diphosphinine","","CC1=CCP(P(C1)C(F)(F)F)C(F)(F)F","WYEKHOCKDGBCGV-UHFFFAOYSA-N","371328",NA,"PDBC24218","645455","Present"
-"4-Methyl-1,4-benzotriazin-3(4H)-imine 1-oxide, hydrochloride","","","","","","","","","","","","","","","","","","","","4-Methyl-1,2,4-benzotriazin-3(4H)-imine 1-oxide, hydroch...","","CN1C2=CC=CC=C2[N+](=NC1=N)[O-].Cl","FSQDOLGJWFFQAJ-UHFFFAOYSA-N","360891",NA,"PDBC24219","623599","Present"
-"4-Methyl-1,6-dioxo-N-phenyl-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-Methyl-1,6-dioxo-N-phenyl-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide","","CC1=NN(C(=O)C2N1C(=O)CC2)C(=O)NC3=CC=CC=C3","AAEQXYOYTYRWKS-UHFFFAOYSA-N","366810",NA,"PDBC24220","635582","Present"
-"4-Methyl-1-(1h-Pyrazol-4-Ylmethyl)-5-[(4-{[6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidin-4-Yl]amino}piperidin-1-Yl)methyl]-1h-Indole-2-Carbonitrile","","","","","","","","","","","","","","","","","","","","NSC785346///NSC787039","","CC1=C(C=CC2=C1C=C(N2CC3=CNN=C3)C#N)CN4CCC(CC4)NC5=C6C=C(SC6=NC=N5)CC(F)(F)F","DETOMBLLEOZTMZ-UHFFFAOYSA-N","91667931",NA,"PDBC24221","785346///787039","Present"
-"4-Methyl-1-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Methyl-1-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione","","CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2)C)C)C","FDXUUZCYRVAOBZ-UHFFFAOYSA-N","391622",NA,"PDBC24222","691108","Present"
-"4-Methyl-1-(2,3,5,6-tetramethylphenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Methyl-1-(2,3,5,6-tetramethylphenyl)-1,2,4-triazolidine-3,5-dione","","CC1=CC(=C(C(=C1C)N2C(=O)N(C(=O)N2)C)C)C","HRWBTRWSUHFLNK-UHFFFAOYSA-N","391626",NA,"PDBC24223","691112","Present"
-"4-Methyl-1-(2,4,6-trimethoxyphenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Methyl-1-(2,4,6-trimethoxyphenyl)-1,2,4-triazolidine-3,5-dione","","CN1C(=O)NN(C1=O)C2=C(C=C(C=C2OC)OC)OC","SVQRMOWLHPAGRY-UHFFFAOYSA-N","391921",NA,"PDBC24224","691601","Present"
-"4-Methyl-1-(2,4,6-trimethylphenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Methyl-1-(2,4,6-trimethylphenyl)-1,2,4-triazolidine-3,5-dione","","CC1=CC(=C(C(=C1)C)N2C(=O)N(C(=O)N2)C)C","WMJTVRLIDQVBTG-UHFFFAOYSA-N","391916",NA,"PDBC24225","691596","Present"
-"4-Methyl-1-(2-naphthyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Methyl-1-naphthalen-2-yl-1,2,4-triazolidine-3,5-dione","","CN1C(=O)NN(C1=O)C2=CC3=CC=CC=C3C=C2","OKTQLFFYAYVYNP-UHFFFAOYSA-N","391907",NA,"PDBC24226","691588","Present"
-"4-Methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Thioxanthen-9-one, 4-methyl-1-(2-piperidinoethylamino)-,...","","CC1=C2C(=C(C=C1)NCCN3CCCCC3)C(=O)C4=CC=CC=C4S2.Cl","DAUORLBXMJFZCZ-UHFFFAOYSA-N","21144135",NA,"PDBC24227","15791","Present"
-"4-Methyl-1-(4-methyl-2-nitro-phenyl)sulfonyl-2-nitro-benzene","","","","","","","","","","","","","","","","","","","","4-Methyl-1-(4-methyl-2-nitro-phenyl)sulfonyl-2-nitro-benzene","","CC1=CC(=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]","GUQSICBSGMOVMZ-UHFFFAOYSA-N","376217",NA,"PDBC24228","656835","Present"
-"4-Methyl-1-(4-methyl-3-oxo-pent-1-enylsulfanyl)-pent-1-en-3-one","","","","","","","","","","","","","","","","","","","","4-Methyl-1-(4-methyl-3-oxo-pent-1-enylsulfanyl)-pent-1-e...","","CC(C)C(=O)C=CSC=CC(=O)C(C)C","ONAUZVDOKWEALW-KQQUZDAGSA-N","5473097",NA,"PDBC24229","723655","Present"
-"4-Methyl-1-(4-methylphenoxy)-2-nitro-benzene","","","","","","","","","","","","","","","","","","","","4-Methyl-1-(4-methylphenoxy)-2-nitrobenzene","","CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C)[N+](=O)[O-]","GAELYEOYUVALJL-UHFFFAOYSA-N","361284",NA,"PDBC24230","624227","Present"
-"4-Methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-Methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]-1,2,4-triazolidine-3,5-dione","","CC1=C(C(=C(C(=C1C)C)CN2C(=O)N(C(=O)N2)C)C)C","IZSANDTYHJLTGD-UHFFFAOYSA-N","391922",NA,"PDBC24231","691602","Present"
-"4-Methyl-1-[3-[4-[3-[(4-methyl-9-oxothioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one","","","","","","","","","","","","","","","","","","","","4-Methyl-1-[3-[4-[3-[(4-methyl-9-oxothioxanthen-1-yl)ami...","","CC1=C2C(=C(C=C1)NCCCN3CCN(CC3)CCCNC4=C5C(=C(C=C4)C)SC6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7S2","ZCEQSFLZLVZRGS-UHFFFAOYSA-N","354500",NA,"PDBC24232","606458","Present"
-"4-Methyl-1-[4-methyl-3,5-dioxo-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-methyl-1-[4-methyl-3,5-dioxo-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione","","CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2N3C(=O)N(C(=O)N3C4=C(C(=C(C(=C4C)C)C)C)C)C)C)C)C","JBBSSXMIDKEWFY-UHFFFAOYSA-N","391923",NA,"PDBC24233","691603","Present"
-"4-Methyl-1-benzoxepine-2,3-dione 3-(phenylhydrazone)","","","","","","","","","","","","","","","","","","","","NSC686474","","CC1=CC2=CC=CC=C2OC(=O)C1=NNC3=CC=CC=C3","GYEOMIMUADZIAD-MNDPQUGUSA-N","5466359",NA,"PDBC24234","686474","Present"
-"4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-imine","","","","","","","","","","","","","","","","","","","","4-Methyl-1,2,4-benzotriazin-3(4H)-imine 1-oxide","","CN1C2=CC=CC=C2[N+](=NC1=N)[O-]","TVERWXXWVJCVKY-UHFFFAOYSA-N","360889",NA,"PDBC24235","623596","Present"
-"4-Methyl-1-phenyl-1lambda5-phosphepane 1-oxide","","","","","","","","","","","","","","","","","","","","4-Methyl-1-phenyl-1lambda5-phosphepane 1-oxide","","CC1CCCP(=O)(CC1)C2=CC=CC=C2","TVYJSCAQHHKNTM-UHFFFAOYSA-N","357568",NA,"PDBC24236","617051","Present"
-"4-Methyl-1-phenyl-1lambda5-phosphinane 1-oxide","","","","","","","","","","","","","","","","","","","","4-Methyl-1-phenyl-1lambda5-phosphinane 1-oxide","","CC1CCP(=O)(CC1)C2=CC=CC=C2","CGZRBFVZQAYZCU-UHFFFAOYSA-N","357567",NA,"PDBC24237","617050","Present"
-"4-Methyl-1-phenyl-3,4-dihydro-2H-phosphinoline 1-oxide","","","","","","","","","","","","","","","","","","","","4-Methyl-1-phenyl-3,4-dihydro-2H-phosphinoline 1-oxide","","CC1CCP(=O)(C2=CC=CC=C12)C3=CC=CC=C3","NYXURIMGUCILOG-UHFFFAOYSA-N","322147",NA,"PDBC24238","616266","Present"
-"4-Methyl-10H-benzo[b][1,8]naphthyridin-5-one","","","","","","","","","","","","","","","","","","","","4-Methyl-10H-benzo[b][1,8]naphthyridin-5-one","","CC1=C2C(=O)C3=CC=CC=C3NC2=NC=C1","CFNNBWBZKRLFES-UHFFFAOYSA-N","391089",NA,"PDBC24239","689624","Present"
-"4-Methyl-10H-indolo[2,3-b][1,8]naphthyridine","","","","","","","","","","","","","","","","","","","","4-Methyl-10H-indolo[2,3-b][1,8]naphthyridine","","CC1=C2C=C3C4=CC=CC=C4NC3=NC2=NC=C1","SQYHSUPQRQEUFM-UHFFFAOYSA-N","387364",NA,"PDBC24240","681116","Present"
-"4-Methyl-11-(2-acetoxyethoxy)-5-aza-5H-indeno[2,1-f]azulene","","","","","","","","","","","","","","","","","","","","2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethyl acetate","","CC1=C2C=CC=C2C(=CC3=C1NC4=CC=CC=C43)OCCOC(=O)C","IQJWIENRSWUZEU-UHFFFAOYSA-N","399412",NA,"PDBC24241","710185","Present"
-"4-Methyl-1H-quinoline-2,5,6-trione","","","","","","","","","","","","","","","","","","","","4-Methyl-1H-quinoline-2,5,6-trione","","CC1=CC(=O)NC2=C1C(=O)C(=O)C=C2","LYFQWEKLBFCLLR-UHFFFAOYSA-N","24203341",NA,"PDBC24242","727574","Present"
-"4-Methyl-2,3-dihydrothieno[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Methyl-2,3-dihydrothieno[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile","","CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCS4)C#N","IQEJBQHGUPSFQP-UHFFFAOYSA-N","377276",NA,"PDBC24243","658529","Present"
-"4-Methyl-2,5-diphenyl-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","4-Methyl-2,5-diphenyl-3,6-dihydro-2H-1,2-oxazine","","CC1=C(CON(C1)C2=CC=CC=C2)C3=CC=CC=C3","OGKRBYPXSONUQW-UHFFFAOYSA-N","370852",NA,"PDBC24244","644559","Present"
-"4-Methyl-2,6-bis(piperidin-1-ylmethyl)phenol;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC37881","","CC1=CC(=C(C(=C1)CN2CCCCC2)O)CN3CCCCC3.Br","JWKTXQQZPOECLQ-UHFFFAOYSA-N","54609468",NA,"PDBC24245","37881","Present"
-"4-Methyl-2-((1-methyl-1H-imidazol-2-yl)sulfonyl)-1-phenyl-3-penten-1-ol","","","","","","","","","","","","","","","","","","","","4-Methyl-2-((1-methyl-1H-imidazol-2-yl)sulfonyl)-1-phenyl-3-penten-1-ol","","CC(=CC(C(C1=CC=CC=C1)O)S(=O)(=O)C2=NC=CN2C)C","CFEOWPZPPTTXTC-UHFFFAOYSA-N","372572",NA,"PDBC24246","647933","Present"
-"4-Methyl-2-((4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid","","","","","","","","","","","","","","","","","","","","4-Methyl-2-((4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid","","CC1=CC(=C(C=C1)C(=O)O)CC2CC3=C(C=CC=C3C2=O)C","ALKFJMWOGKBJII-UHFFFAOYSA-N","385692",NA,"PDBC24247","677038","Present"
-"4-Methyl-2-(1,3-thiazol-4-yl)phenol","","","","","","","","","","","","","","","","","","","","4-Methyl-2-(1,3-thiazol-4-yl)phenol","","CC1=CC(=C(C=C1)O)C2=CSC=N2","BSAWZSKGMDFKHU-UHFFFAOYSA-N","381600",NA,"PDBC24248","668409","Present"
-"4-Methyl-2-(2,2,5,5-tetramethyl-tetrahydro-1,3,4,6,8-pentaoxa-cyclopenta[a]inden-8a-yl)-quinoline","","","","","","","","","","","","","","","","","","","","4-Methyl-2-(2,2,5,5-tetramethyl-tetrahydro-1,3,4,6,8-pentaoxa-cyclopenta[a]inden-8a-yl)-quinoline","","CC1=CC(=NC2=CC=CC=C12)C34C(C5C(O3)COC(O5)(C)C)OC(O4)(C)C","ZUAHQDPDUQIUOG-UHFFFAOYSA-N","383339",NA,"PDBC24249","671453","Present"
-"4-Methyl-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)quinoline","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine","","CC1=CC(=NC2=CC=CC=C12)NN=C(C)C3=CC=CC=N3","CVDUGZRMCGEUJY-DEDYPNTBSA-N","9569343",NA,"PDBC24250","332427","Present"
-"4-Methyl-2-(4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","4-Methyl-2-(4-hydroxyphenyl)benzothiazole","","CC1=C2C(=CC=C1)SC(=N2)C3=CC=C(C=C3)O","IUVRSKMCOARMJW-UHFFFAOYSA-N","405005",NA,"PDBC24251","721659","Present"
-"4-Methyl-2-(4-methylphenoxy)phenylphosphonic acid","","","","","","","","","","","","","","","","","","","","4-Methyl-2-(4-methylphenoxy)phenylphosphonic acid","","CC1=CC=C(C=C1)OC2=C(C=CC(=C2)C)P(=O)(O)O","CSAQEFCFLZAGST-UHFFFAOYSA-N","380787",NA,"PDBC24252","666497","Present"
-"4-Methyl-2-(4-methylphenyl)pent-4-enoic acid","","","","","","","","","","","","","","","","","","","","4-Methyl-2-(4-methylphenyl)pent-4-enoic acid","","CC1=CC=C(C=C1)C(CC(=C)C)C(=O)O","APITWAZCYHJSCF-UHFFFAOYSA-N","359392",NA,"PDBC24253","620235","Present"
-"4-Methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol","","","","","","","","","","","","","","","","","","","","NSC766725","","CC1=CC(=NC2=C1C=CC(=C2)O)NC3=CC=C(C=C3)OCC4=CC=CC=C4","UFEMDLAFOZMSRW-UHFFFAOYSA-N","135609775",NA,"PDBC24254","766725","Present"
-"4-Methyl-2-(methylthio)-5,6-dihydrothieno[2,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-Methyl-2-(methylthio)-5,6-dihydrothieno[2,3-d]pyrimidine","","CC1=C2CCSC2=NC(=N1)SC","LJEXYUVDJXSZMP-UHFFFAOYSA-N","377280",NA,"PDBC24255","658533","Present"
-"4-Methyl-2-[(E)-(6-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-Methyl-2-[(E)-(6-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","CC1=CC(=C(C=C1)C(=O)O)C=C2CC3=C(C2=O)C=C(C=C3)C","GJVNMEUACXCADJ-XNTDXEJSSA-N","5859773",NA,"PDBC24256","678377","Present"
-"4-Methyl-2-[4-methyl-5-[(p-tolylsulfonylamino)carbamoyl]thiazol-2-yl]-N'-(p-tolylsulfonyl)thiazole-5-carbohydrazide","","","","","","","","","","","","","","","","","","","","4-Methyl-2-[4-methyl-5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1,3-thiazol-2-yl]-N'-(4-methylphenyl)sulfonyl-1,3-thiazole-5-carbohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N=C(S2)C3=NC(=C(S3)C(=O)NNS(=O)(=O)C4=CC=C(C=C4)C)C)C","VWRTWNGUYRVLDU-UHFFFAOYSA-N","370073",NA,"PDBC24257","642632","Present"
-"4-Methyl-2-[4-methyl-5-[[(2-pyridin-1-ium-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]-N'-(2-pyridin-1-ium-1-ylacetyl)-1,3-thiazole-5-carbohydrazide;chloride","","","","","","","","","","","","","","","","","","","","4-Methyl-2-[4-methyl-5-[[(2-pyridin-1-ium-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]-N'-(2-pyridin-1-ium-1-ylacetyl)-1,3-thiazole-5-carbohydrazide;chloride","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)NNC(=O)C[N+]3=CC=CC=C3)C)C(=O)NNC(=O)C[N+]4=CC=CC=C4.[Cl-]","BZMDGKJEJHPTTG-UHFFFAOYSA-O","370068",NA,"PDBC24258","642628","Present"
-"4-Methyl-2-nitro-6-thiazol-4-yl-phenol","","","","","","","","","","","","","","","","","","","","4-Methyl-2-nitro-6-(1,3-thiazol-4-yl)phenol","","CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C2=CSC=N2","XQFUGTVAWCRUHU-UHFFFAOYSA-N","381602",NA,"PDBC24259","668411","Present"
-"4-Methyl-2-oxo-2H-chromen-7-yl 2-deoxy-2-(ethanethioylamino)hexopyranoside","","","","","","","","","","","","","","","","","","","","N-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]ethanethioamide","","CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)NC(=S)C","ZDAVWYMHGAWTAW-UHFFFAOYSA-N","3005379",NA,"PDBC24260","695252","Present"
-"4-Methyl-2-oxo-2H-chromen-7-yl methanesulfonate","","","","","","","","","","","","","","","","","","","","STL457251","","CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C","CYBDGWFDZXOFSR-UHFFFAOYSA-N","269609",NA,"PDBC24261","110899","Present"
-"4-Methyl-2-oxo-2H-chromene-5,7-diyl-dibutyrate","","","","","","","","","","","","","","","","","","","","4-methyl-2-oxo-2H-chromene-5,7-diyl-dibutyrate","","CCCC(=O)OC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)CCC","NSTQZMJZUASRCW-UHFFFAOYSA-N","390805",NA,"PDBC24262","688803","Present"
-"4-Methyl-2-oxo-2h-chromen-7-yl valerate","","","","","","","","","","","","","","","","","","","","STL477375","","CCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C","KCKLBBMONJISPQ-UHFFFAOYSA-N","232042",NA,"PDBC24263","29067","Present"
-"4-Methyl-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","4-Methyl-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole","","CC1CC(NC2=NC3=CC=CC=C3N12)C4=CC=CC=C4","VAGIBOBEIYQCAC-UHFFFAOYSA-N","388457",NA,"PDBC24264","683387","Present"
-"4-Methyl-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene","","","","","","","","","","","","","","","","","","","","4-Methyl-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene","","CC1=CC2=C(C=C1)OC3C4=C2N(N=C4C5=CC=CC=C5S3)C6=CC=CC=C6","VHEGRDCPNUTRQE-UHFFFAOYSA-N","371913",NA,"PDBC24265","646497","Present"
-"4-Methyl-2-phenyl-2-oxazoline-5-one","","","","","","","","","","","","","","","","","","","","AC-6419","","CC1C(=O)OC(=N1)C2=CC=CC=C2","HHPTWKXNGPGQJH-UHFFFAOYSA-N","495826",NA,"PDBC24266","669719","Present"
-"4-Methyl-2-phenyl-2H-1,4-benzothiazine-3(4H)-thione","","","","","","","","","","","","","","","","","","","","4-Methyl-2-phenyl-2H-1,4-benzothiazine-3(4H)-thione","","CN1C2=CC=CC=C2SC(C1=S)C3=CC=CC=C3","AVPBJWMJWZTMMI-UHFFFAOYSA-N","381139",NA,"PDBC24267","667457","Present"
-"4-Methyl-2-phenyl-5H-chromeno[3,4-c]pyridin-5-one","","","","","","","","","","","","","","","","","","","","4-Methyl-2-phenyl-5H-chromeno[3,4-c]pyridin-5-one","","CC1=C2C(=CC(=N1)C3=CC=CC=C3)C4=CC=CC=C4OC2=O","ZNKKKAJLIFRIRH-UHFFFAOYSA-N","365910",NA,"PDBC24268","634031","Present"
-"4-Methyl-2H-pyrano[2,3-b]oxanthren-2-one","","","","","","","","","","","","","","","","","","","","4-Methyl-2H-pyrano[2,3-b]oxanthren-2-one","","CC1=CC(=O)OC2=CC3=C(C=C12)OC4=CC=CC=C4O3","ROITZIPCOVPVAO-UHFFFAOYSA-N","365205",NA,"PDBC24269","632497","Present"
-"4-Methyl-3',4'-dichlorochalcone","","","","","","","","","","","","","","","","","","","","4-Methyl-3',4'-dichlorochalcone","","CC1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)Cl)Cl","FEQZVLOKLSXWSE-RMKNXTFCSA-N","5387161",NA,"PDBC24270","621370","Present"
-"4-Methyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one","","","","","","","","","","","","","","","","","","","","4-Methyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one","","CC1CC(=O)NC2=NC3=CC=CC=C3N12","QPBWYPOUJOITPL-UHFFFAOYSA-N","388454",NA,"PDBC24271","683384","Present"
-"4-Methyl-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","4-Methyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole","","CN1C=NC(=C1SC2=NN=C(N2C)C(F)(F)F)[N+](=O)[O-]","QEOAMWHUDZKENG-UHFFFAOYSA-N","364624",NA,"PDBC24272","631158","Present"
-"4-Methyl-3-(4-phenylpyrrolo[1,2-a]quinoxalin-1-yl)-1H-pyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Methyl-3-(4-phenylpyrrolo[1,2-a]quinoxalin-1-yl)-1H-pyrrole-2-carboxylic acid","","CC1=CNC(=C1C2=CC=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O","HUBZYKDAGZQLFP-UHFFFAOYSA-N","390190",NA,"PDBC24273","687351","Present"
-"4-Methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","4-Methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole","","CN1C=NN=C1SC2=C(N=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","DIJODVLJKWVHJU-UHFFFAOYSA-N","364623",NA,"PDBC24274","631157","Present"
-"4-Methyl-3-[4-[2-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-Methyl-3-[4-[2-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione","","CN1C(=NNC1=S)C2=CC=C(C=C2)NN=NC3=CC=C(C=C3)C4=NNC(=S)N4C","YYOTXUCIIYJFRW-UHFFFAOYSA-N","5472009",NA,"PDBC24275","715974","Present"
-"4-Methyl-3-[[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)anilino]methyl]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-Methyl-3-[[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)anilino]methyl]-1H-1,2,4-triazole-5-thione","","CN1C(=NNC1=S)CNC2=CC=C(C=C2)C3=NNC(=S)N3C","FHEABCIDSRLATM-UHFFFAOYSA-N","3005399",NA,"PDBC24276","697143","Present"
-"4-Methyl-3-isopropylpentanoic acid 2-(hydroxymethyl)-4-(4-methyl-3-isopropylpentylidene)-5-oxotetrahydrofuran-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate","","CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C)C(C)C","YICZBOMOCOUNSS-OCKHKDLRSA-N","5470623",NA,"PDBC24277","703750","Present"
-"4-Methyl-3-nitro-5-(4-nitrophenyl)pyrazolo[4,3-c][1,2]selenazol-6-one","","","","","","","","","","","","","","","","","","","","4-Methyl-3-nitro-5-(4-nitrophenyl)-4,5-dihydro-6H-pyrazolo[4,3-c][1,2]selenazol-6-one","","CN1C2=C([Se]N=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","NIQHXNBDSPOOLF-UHFFFAOYSA-N","360531",NA,"PDBC24278","622666","Present"
-"4-Methyl-3-phenyl-1,2,3-oxathiazolidine 2-oxide","","","","","","","","","","","","","","","","","","","","4-Methyl-3-phenyl-1,2,3-oxathiazolidine 2-oxide","","CC1COS(=O)N1C2=CC=CC=C2","VQRITPKKUNOGNR-UHFFFAOYSA-N","370894",NA,"PDBC24279","644630","Present"
-"4-Methyl-3-phenyl-1-oxa-2,4,5-triazaspiro[5.5]undec-2-ene","","","","","","","","","","","","","","","","","","","","4-Methyl-3-phenyl-1-oxa-2,4,5-triazaspiro[5.5]undec-2-ene","","CN1C(=NOC2(N1)CCCCC2)C3=CC=CC=C3","USYOMARIFRRCHF-UHFFFAOYSA-N","362351",NA,"PDBC24280","626096","Present"
-"4-Methyl-4'-nitrochalcone","","","","","","","","","","","","","","","","","","","","4-Methyl-4'-nitrochalcone","","CC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","SBRXCTYIGBXNJY-IZZDOVSWSA-N","5387157",NA,"PDBC24281","621365","Present"
-"4-Methyl-4-(4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl)heptanedinitrile","","","","","","","","","","","","","","","","","","","","4-Methyl-4-(4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl)heptanedinitrile","","CC(CCC#N)(CCC#N)C(=O)CC(C(F)(F)F)(C(F)(F)F)O","MBHZNDOHESOXCU-UHFFFAOYSA-N","379582",NA,"PDBC24282","664271","Present"
-"4-Methyl-4-[3-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)propyl]morpholin-4-ium;iodide","","","","","","","","","","","","","","","","","","","","4-Methyl-4-[3-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)propyl]morpholin-4-ium;iodide","","C[N+]1(CCOCC1)CCC[N+]2(CC3C4CCC(C3C2)C=C4)C.[I-]","QCPGCUGYIILZBS-UHFFFAOYSA-M","5351920",NA,"PDBC24283","90831","Present"
-"4-Methyl-4-chromanecarboxylic acid","","","","","","","","","","","","","","","","","","","","4-Methyl-4-chromanecarboxylic acid","","CC1(CCOC2=CC=CC=C21)C(=O)O","KHAVLDCFXFKBLD-UHFFFAOYSA-N","362427",NA,"PDBC24284","626330","Present"
-"4-Methyl-4H-benzo[1,4]thiazine-3-thione","","","","","","","","","","","","","","","","","","","","4-Methyl-4H-benzo[1,4]thiazine-3-thione","","CN1C(=S)CSC2=CC=CC=C21","MYEVHRBQACPKKF-UHFFFAOYSA-N","373156",NA,"PDBC24285","649097","Present"
-"4-Methyl-4H-pyrazole; trichlorogallane","","","","","","","","","","","","","","","","","","","","4-Methyl-4H-pyrazole; trichlorogallane","","","","",NA,"PDBC24286","630053","Present"
-"4-Methyl-5-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one","","","","","","","","","","","","","","","","","","","","4-Methyl-5-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one","","CC1CC(=O)NC2=CC=CC=C2N1CC=C(C)C","BSRFXWAFIXYGFZ-UHFFFAOYSA-N","377482",NA,"PDBC24287","658950","Present"
-"4-Methyl-5-(4-methyl-5-phenyl-2,4-pentadienoyl)-1,3-thiazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Methyl-5-(4-methyl-5-phenyl-2,4-pentadienoyl)-1,3-thiazole-2-carbothioamide","","CC1=C(SC(=N1)C(=S)N)C(=O)C=CC(=CC2=CC=CC=C2)C","RIQRSGPVNJSTAO-BNFZFUHLSA-N","5937450",NA,"PDBC24288","642620","Present"
-"4-Methyl-5-[(E)-3-(p-tolyl)prop-2-enoyl]thiazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Methyl-5-[(E)-3-(p-tolyl)prop-2-enoyl]thiazole-2-carbothioamide","","CC1=CC=C(C=C1)C=CC(=O)C2=C(N=C(S2)C(=S)N)C","UFGYUVDPHVWSFR-BQYQJAHWSA-N","6162998",NA,"PDBC24289","640574","Present"
-"4-Methyl-5-aza-5H-indeno[2,1-f]azulene","","","","","","","","","","","","","","","","","","","","2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene","","CC1=C2C(=CC=C3C1=CC=C3)C4=CC=CC=C4N2","RTTUYQFUJQGIBB-UHFFFAOYSA-N","399411",NA,"PDBC24290","710184","Present"
-"4-Methyl-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one","","","","","","","","","","","","","","","","","","","","4-Methyl-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one","","CN1C(=O)C2=C(NC1=S)SC3=C2CCSC3","GCDSNZBTLPASDA-UHFFFAOYSA-N","5472329",NA,"PDBC24291","717889","Present"
-"4-Methyl-6,8-dimethoxy-2,3-dihydrofuro[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","6,8-Dimethoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline","","CC1=C2CCOC2=C3C=C(C=C(C3=N1)OC)OC","KGMXAVABQLNCDO-UHFFFAOYSA-N","387230",NA,"PDBC24292","680792","Present"
-"4-Methyl-6,9-dichlorocyclopenta[c][1]benzopyran-8-ol","","","","","","","","","","","","","","","","","","","","6,9-Dichloro-4-methylcyclopenta[c]chromen-8-ol","","CC1=C2C=CC=C2C3=C(C(=CC(=C3O1)Cl)O)Cl","GBQIEMCNGDHWFR-UHFFFAOYSA-N","402619",NA,"PDBC24293","716775","Present"
-"4-Methyl-6-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one","","","","","","","","","","","","","","","","","","","","4-Methyl-6-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one","","CC1=CC(=O)OC2=C1C=C(C=C2)OCC=C3CCC(=O)O3","IJDIHXPFYRELIU-IZZDOVSWSA-N","24205381",NA,"PDBC24294","735333","Present"
-"4-Methyl-6-hydroxybenzofuro[2,3-b]pyridine-3-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 6-Hydroxy-4-methylbenzo[4,5]furo[2,3-b]pyridine -3...","","CCOC(=O)C1=CN=C2C(=C1C)C3=C(O2)C=CC(=C3)O","IZDXENCAHQKCPR-UHFFFAOYSA-N","403996",NA,"PDBC24295","720031","Present"
-"4-Methyl-6-phenyl-5-[(E)-p-tolylazo]-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Methyl-5-[(4-methylphenyl)diazenyl]-6-phenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=CC=C(C=C1)N=NC2=C(N(C(=S)C(=C2C)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","HTONCQGVDUPSAG-UHFFFAOYSA-N","381299",NA,"PDBC24296","667736","Present"
-"4-Methyl-6-phenyl-5-[(E)-phenylazo]-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Methyl-6-phenyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C3=CC=CC=C3)C4C(C(C(C(O4)CO)O)O)O)C#N","IARNTNPDRQLSNE-UHFFFAOYSA-N","381298",NA,"PDBC24297","667735","Present"
-"4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one","","","","","","","","","","","","","","","","","","","","4-METHYL-7,8-BIS[(METHYLSULFONYL)OXY]-2H-1-BENZOPYRAN-2-ONE","","CC1=CC(=O)OC2=C1C=CC(=C2OS(=O)(=O)C)OS(=O)(=O)C","LNUOVDYXSVMVOE-UHFFFAOYSA-N","317657",NA,"PDBC24298","250826","Present"
-"4-Methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","4-Methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","CC1=CC(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C","PSIRVXBTQZTNBX-UHFFFAOYSA-N","381506",NA,"PDBC24299","668262","Present"
-"4-Methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","4-Methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one","","CC1=CC(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4","KJPYCEDFWLXVBM-UHFFFAOYSA-N","381510",NA,"PDBC24300","668266","Present"
-"4-Methyl-7-(3-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","4-Methyl-7-(3-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-2H-chromen-2-one","","CC1=CC(=O)OC2=C1C=CC(=C2)OCCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C","HWDOSUKXDDAFDC-UHFFFAOYSA-N","373055",NA,"PDBC24301","648887","Present"
-"4-Methyl-7-(4-methyl-4,8,9-triazabicyclo[4.3.0]nona-7,10-dien-7-yl)-4,8,9-triazabicyclo[4.3.0]nona-7,10-diene","","","","","","","","","","","","","","","","","","","","5-Methyl-3-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine","","CN1CCC2=C(C1)C(=NN2)C3=NNC4=C3CN(CC4)C","UOZUPRXCVLGPLN-UHFFFAOYSA-N","340766",NA,"PDBC24302","371847","Present"
-"4-Methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one","","","","","","","","","","","","","","","","","","","","4-Methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one","","CC1=CC(=O)OC2=C1C=CC(=C2)OCC=C3CCC(=O)O3","XVEHIFLVGSYJHF-IZZDOVSWSA-N","24205383",NA,"PDBC24303","735335","Present"
-"4-Methyl-7-phenyl-6-oxa-8-azatetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-trien-5-one","","","","","","","","","","","","","","","","","","","","3-Methyl-10a-phenyl-10,10a-dihydro-5h-3,10-methano[1,3]oxazolo[3,2-b]isoquinolin-2(3h)-one","","CC12CC3C4=CC=CC=C4CN1C3(OC2=O)C5=CC=CC=C5","AJMDMJCNDIYEQV-UHFFFAOYSA-N","394454",NA,"PDBC24304","697928","Present"
-"4-Methyl-8,8a-dihydropyrrolo[1,2-d][1,2,4]triazine-1,6(2H,7H)-dione","","","","","","","","","","","","","","","","","","","","4-Methyl-8,8a-dihydropyrrolo[1,2-d][1,2,4]triazine-1,6(2H,7H)-dione","","CC1=NNC(=O)C2N1C(=O)CC2","AXCVXQYKARABII-UHFFFAOYSA-N","366807",NA,"PDBC24305","635579","Present"
-"4-Methyl-8-[5-(2-methoxybenzyl)-2-furanyl]spiro[4.5]deca-3,6-diene-2,10-dione","","","","","","","","","","","","","","","","","","","","8-[5-(2-Methoxybenzyl)furan-2-yl]-4-methylspiro[4.5]deca-3,9-diene-2,6-dione","","CC1=CC(=O)CC12C=CC(CC2=O)C3=CC=C(O3)CC4=CC=CC=C4OC","PFELQEDNUCWLOJ-UHFFFAOYSA-N","400557",NA,"PDBC24306","712679","Present"
-"4-Methyl-8-acetoxy-5-aza-5H-indeno[2,1-f]azulene","","","","","","","","","","","","","","","","","","","","(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-13-yl) acetate","","CC1=C2C(=CC=C3C1=CC=C3)C4=C(N2)C=CC(=C4)OC(=O)C","QPDJTUJFZNDXCW-UHFFFAOYSA-N","401130",NA,"PDBC24307","714067","Present"
-"4-Methyl-8-bromo-5-aza-5H-indeno[2,1-f]azulene","","","","","","","","","","","","","","","","","","","","13-Bromo-2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene","","CC1=C2C(=CC=C3C1=CC=C3)C4=C(N2)C=CC(=C4)Br","SSHOSGKMDLCKMC-UHFFFAOYSA-N","402617",NA,"PDBC24308","716773","Present"
-"4-Methyl-8-fluoro-2,3-dihydrofuro[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","8-Fluoro-4-methyl-2,3-dihydrofuro[3,2-c]quinoline","","CC1=C2CCOC2=C3C=C(C=CC3=N1)F","YRQHOEAMFIXLSD-UHFFFAOYSA-N","387228",NA,"PDBC24309","680790","Present"
-"4-Methyl-8-oxobicyclo[3.2.1]oct-3-ene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Methyl-8-oxobicyclo[3.2.1]oct-3-ene-1-carbonitrile","","CC1=CCC2(CCC1C2=O)C#N","YGRBDWPYCAPDLE-UHFFFAOYSA-N","371761",NA,"PDBC24310","646204","Present"
-"4-Methyl-N'-((9-phenyl-9H-fluoren-9-yl)methylene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Methyl-N'-((9-phenyl-9H-fluoren-9-yl)methylene)benzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NN=CC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5","IQWDOFYXFDSDPM-TURZUDJPSA-N","9571458",NA,"PDBC24311","666398","Present"
-"4-Methyl-N'-(1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Methyl-N'-(1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethylidene)benzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=C2C(=NC3=CC=CC=C3S2)C)C","YLVBVANUEDPXBB-JXAWBTAJSA-N","5387993",NA,"PDBC24312","630350","Present"
-"4-Methyl-N'-(2,2,4,4-tetramethylcyclobutylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Methyl-N'-(2,2,4,4-tetramethylcyclobutylidene)benzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2C(CC2(C)C)(C)C","LBSDUEQUIWZBCF-UHFFFAOYSA-N","380715",NA,"PDBC24313","666422","Present"
-"4-Methyl-N'-(2-methylpropylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","NSC620039","","CC1=CC=C(C=C1)S(=O)(=O)NN=CC(C)C","XDBZTMINELTCCX-XYOKQWHBSA-N","9569816",NA,"PDBC24314","620039","Present"
-"4-Methyl-N'-(2-nitro-1-phenylethyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Methyl-N'-(2-nitro-1-phenylethyl)benzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NNC(C[N+](=O)[O-])C2=CC=CC=C2","YBFMCODRHBETNK-UHFFFAOYSA-N","277880",NA,"PDBC24315","126933","Present"
-"4-Methyl-N'-(7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Methyl-N'-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]benzenesulfonohydrazide","","CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","IHRHBTUTNJIKMJ-UHFFFAOYSA-N","381384",NA,"PDBC24316","667924","Present"
-"4-Methyl-N'-(methylsulfonyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","Z45682615","","CC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)C","AOTFGEXNUYQSKI-UHFFFAOYSA-N","367384",NA,"PDBC24317","637073","Present"
-"4-Methyl-N'-[(1E)-(3-nitro-4,5-dipyridin-4-yl-2-furyl)methylene]benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Methyl-N'-[(1E)-(3-nitro-4,5-dipyridin-4-yl-2-furyl)methylene]benzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C(=C(O2)C3=CC=NC=C3)C4=CC=NC=C4)[N+](=O)[O-]","LKEZLVJKQQBHLX-AFUMVMLFSA-N","9555881",NA,"PDBC24318","647121","Present"
-"4-Methyl-N'-phenylbenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","[PhNC(NH2)(C6H4Me)]","","CC1=CC=C(C=C1)C(=NC2=CC=CC=C2)N","QSIUGNVXHQWBEP-UHFFFAOYSA-N","341821",NA,"PDBC24319","375392","Present"
-"4-Methyl-N'-{(1E)-[3-nitro-4,5-bis(3-nitrophenyl)-2-furyl]methylene}benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-Methyl-N'-{(1E)-[3-nitro-4,5-bis(3-nitrophenyl)-2-furyl]methylene}benzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C(=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]","AWAWJBVIRQMQJM-AFUMVMLFSA-N","9555888",NA,"PDBC24320","647256","Present"
-"4-Methyl-N-((2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)carbonyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-((2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)carbonyl)benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2S(=O)(=O)OCCOS2(=O)=O","NHNCIJHSSINQEP-UHFFFAOYSA-N","372720",NA,"PDBC24321","648303","Present"
-"4-Methyl-N-(2-((2-(((4-methylphenyl)sulfonyl)amino)ethyl)thio)ethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-(2-((2-(((4-methylphenyl)sulfonyl)amino)ethyl)thio)ethyl)benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NCCSCCNS(=O)(=O)C2=CC=C(C=C2)C","XTANFPBRKRLUDZ-UHFFFAOYSA-N","373734",NA,"PDBC24322","650633","Present"
-"4-Methyl-N-(2-((2-((2-(((4-methylphenyl)sulfonyl)amino)ethyl)thio)ethyl)thio)ethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]ethylsulfanyl]ethyl]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NCCSCCSCCNS(=O)(=O)C2=CC=C(C=C2)C","ARKGBWNKRGOHOA-UHFFFAOYSA-N","373724",NA,"PDBC24323","650626","Present"
-"4-Methyl-N-(2-nitrophenyl)sulfanylaniline","","","","","","","","","","","","","","","","","","","","CBDivE_011978","","CC1=CC=C(C=C1)NSC2=CC=CC=C2[N+](=O)[O-]","DUOCQDQMSWPLKI-UHFFFAOYSA-N","226033",NA,"PDBC24324","16034","Present"
-"4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline","","","","","","","","","","","","","","","","","","","","4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline","","CC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC","WNPKGWVHMDSGQK-UHFFFAOYSA-N","373798",NA,"PDBC24325","650763","Present"
-"4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride","","","","","","","","","","","","","","","","","","","","4-Methyl-N-(3,4,5-trimethoxybenzyl) aniline Hydrochloride","","CC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","YNUQVPKYSQEUIO-UHFFFAOYSA-N","373799",NA,"PDBC24326","650764","Present"
-"4-Methyl-N-(3-((1-((4-methylphenyl)imino)-2-phenyl-1H-inden-3-yl)thio)-2-phenyl-1H-inden-1-ylidene)aniline","","","","","","","","","","","","","","","","","","","","1H-Inden-1-imine, 3,3'-(thio)bis[N-(4-methylphenyl)-2-ph...","","CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=C2C4=CC=CC=C4)SC5=C(C(=NC6=CC=C(C=C6)C)C7=CC=CC=C75)C8=CC=CC=C8","VYFOGUNXZDMDLW-UHFFFAOYSA-N","389841",NA,"PDBC24327","686473","Present"
-"4-Methyl-N-(oxan-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-tetrahydro-2H-pyran-2-ylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCO2","UDTPRMPZDIISOH-UHFFFAOYSA-N","366954",NA,"PDBC24328","636116","Present"
-"4-Methyl-N-[(2-oxocyclohexyl)methyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[(2-oxocyclohexyl)methyl]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCCC2=O","VIZPKNKXHAFNFC-UHFFFAOYSA-N","364915",NA,"PDBC24329","631802","Present"
-"4-Methyl-N-[(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]aniline","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]aniline","","CC1=CC=C(C=C1)NCC2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5","IULVBMURKJVAFA-UHFFFAOYSA-N","400924",NA,"PDBC24330","713608","Present"
-"4-Methyl-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide","","CC1=CC=C(C=C1)C(=O)NN=C2C3=CC=CC4=CC5=CC=CC=C5C(=C43)C2=O","GAALKPIJVPPVTE-YYDJUVGSSA-N","9572076",NA,"PDBC24331","701029","Present"
-"4-Methyl-N-[(E)-(10-oxidoacridin-10-ium-9-yl)methyleneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","9-({(E)-[(4-Methylphenyl)sulfonyl]diazenyl}methylidene)acridin-10(9H)-ol","","CC1=CC=C(C=C1)S(=O)(=O)N=NC=C2C3=CC=CC=C3N(C4=CC=CC=C42)O","QMZPDKUVPPMLGH-UHFFFAOYSA-N","363213",NA,"PDBC24332","627891","Present"
-"4-Methyl-N-[(E)-(2-methyl-2,3,5,6,7,8,9,10-octahydrocycloocta[b]pyran-4-ylidene)amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[(E)-(2-methyl-2,3,5,6,7,8,9,10-octahydrocycloocta[b]pyran-4-ylidene)amino]benzenesulfonamide","","CC1CC(=NNS(=O)(=O)C2=CC=C(C=C2)C)C3=C(O1)CCCCCC3","NGAANMDZZOSQAT-CZIZESTLSA-N","6374384",NA,"PDBC24333","672226","Present"
-"4-Methyl-N-[(E)-(3-oxo-2-azaspiro[5.5]undecan-11-ylidene)amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[(E)-(3-oxo-2-azaspiro[5.5]undecan-11-ylidene)amino]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCC23CCC(=O)NC3","XYCWNNPFZKUTNG-XDJHFCHBSA-N","6393003",NA,"PDBC24334","619944","Present"
-"4-Methyl-N-[(E)-4-tricyclo[4.3.0.03,7]non-8-enylideneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[(E)-4-tricyclo[4.3.0.03,7]non-8-enylideneamino]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC3C4CC2C3C=C4","BCVBVZBSFFFOIU-WUKNDPDISA-N","5912634",NA,"PDBC24335","666427","Present"
-"4-Methyl-N-[(E)-4-tricyclo[4.3.0.03,7]nonanylideneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[(E)-4-tricyclo[4.3.0.03,7]nonanylideneamino]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC3C4CCC3C2C4","WOLMIBMBHRRSSH-WUKNDPDISA-N","9571460",NA,"PDBC24336","666425","Present"
-"4-Methyl-N-[(Z)-2-tricyclo[4.2.1.03,7]nonanylideneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[(Z)-2-tricyclo[4.2.1.03,7]nonanylideneamino]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3CCC4C3CC2C4","KGDFSOFNEIUXNM-MSUUIHNZSA-N","5905086",NA,"PDBC24337","673906","Present"
-"4-Methyl-N-[(Z)-2-tricyclo[5.2.1.04,8]decanylideneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[(Z)-2-tricyclo[5.2.1.04,8]decanylideneamino]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC3CCC4C3CC2C4","MAIXEOJSUPUQDV-ZCXUNETKSA-N","9571501",NA,"PDBC24338","673908","Present"
-"4-Methyl-N-[3-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide","","","","","","","","","","","","","","","","","","","","4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)phenyl)-3-(4-(p...","","CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5","DIMLYBUSJYNUFT-UHFFFAOYSA-N","71521082",NA,"PDBC24339","762949","Present"
-"4-Methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide","","","","","","","","","","","","","","","","","","","","4-methyl-N-(3-methyl-5-(4-methyl-1H-imidazol-1-yl)phenyl...","","CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5","KVTMDRDZMBVWNC-UHFFFAOYSA-N","58172700",NA,"PDBC24340","762948","Present"
-"4-Methyl-N-[4-[(4-methylanilino)diazenyl]butyldiazenyl]aniline","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[4-[(4-methylanilino)diazenyl]butyldiazenyl]aniline","","CC1=CC=C(C=C1)NN=NCCCCN=NNC2=CC=C(C=C2)C","UNWWRHHZUPRHQS-UHFFFAOYSA-N","388204",NA,"PDBC24341","682789","Present"
-"4-Methyl[1]benzofuro[3,2-g]quinolin-2-ol","","","","","","","","","","","","","","","","","","","","4-Methyl[1]benzofuro[3,2-g]quinolin-2-ol","","CC1=CC(=O)NC2=CC3=C(C=C12)C4=CC=CC=C4O3","PXTUEOYAGPJNRJ-UHFFFAOYSA-N","341872",NA,"PDBC24342","375985","Present"
-"4-Methylacridin-9-amine--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","4-Methylacridin-9-amine;hydrochloride","","CC1=CC=CC2=C(C3=CC=CC=C3N=C12)N.Cl","ZFKZLCVKIAFMMX-UHFFFAOYSA-N","54609363",NA,"PDBC24343","14658","Present"
-"4-Methylanthra[1,2-c]isoxazole-6,11-dione","","","","","","","","","","","","","","","","","","","","4-Methylanthra[1,2-c]isoxazole-6,11-dione","","CC1=CC2=C(C3=NOC=C13)C(=O)C4=CC=CC=C4C2=O","CSLKMYOHINILJD-UHFFFAOYSA-N","363004",NA,"PDBC24344","627543","Present"
-"4-Methylbenzenesulfonic acid; 7-methyl-5-(3-morpholinopropylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Methylbenzenesulfonate;7-methyl-5-(3-morpholin-4-ylpropylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCCN5CCOCC5)C#N","VRWQLHFNYHDHIX-UHFFFAOYSA-N","393012",NA,"PDBC24345","694262","Present"
-"4-Methylbenzenesulfonic acid; 7-methyl-5-[2-(2-pyridyl)ethylamino]benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Methylbenzenesulfonate;7-methyl-5-(2-pyridin-2-ylethylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCC5=CC=CC=N5)C#N","QINZHXZMMXNNFJ-UHFFFAOYSA-N","393007",NA,"PDBC24346","694259","Present"
-"4-Methylbenzenesulfonic acid; 7-methyl-5-methylsulfanyl-benzimidazolo[1,2-a][1,8]naphthyridin-7-ium-6-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Methylbenzenesulfonate;7-methyl-5-methylsulfanylbenzimidazolo[1,2-a][1,8]naphthyridin-7-ium-6-carbonitrile","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=C(N2C4=CC=CC=C41)N=CC=C3)SC)C#N","WOXNHTLEGNLUBZ-UHFFFAOYSA-M","393020",NA,"PDBC24347","694267","Present"
-"4-Methylbenzenesulfonic acid; 7-methyl-5-methylsulfanyl-benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Methylbenzenesulfonate;7-methyl-5-methylsulfanylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)SC)C#N","NVGLEXRYAOIEIE-UHFFFAOYSA-M","392516",NA,"PDBC24348","693033","Present"
-"4-Methylbenzenesulfonic acid;1-propyl-3,6-dihydro-2H-pyridine","","","","","","","","","","","","","","","","","","","","4-Methylbenzenesulfonic acid;1-propyl-3,6-dihydro-2H-pyridine","","CCCN1CCC=CC1.CC1=CC=C(C=C1)S(=O)(=O)O","ZHSHFTFZSGVNFE-UHFFFAOYSA-N","357839",NA,"PDBC24349","617372","Present"
-"4-Methylbenzimidazo[1,2-a][1,8]naphthyridine","","","","","","","","","","","","","","","","","","","","4-Methylbenzimidazo[1,2-a][1,8]naphthyridine","","CC1=C2C=CC3=NC4=CC=CC=C4N3C2=NC=C1","ANBUTTKVVAWVHL-UHFFFAOYSA-N","387363",NA,"PDBC24350","681115","Present"
-"4-Methylbenzoic acid (2-benzylidenecyclohexylidene)amino ester","","","","","","","","","","","","","","","","","","","","NSC629624","","CC1=CC=C(C=C1)C(=O)ON=C2CCCCC2=CC3=CC=CC=C3","BUEMQTMFALJQGZ-ISQRORMUSA-N","5801294",NA,"PDBC24351","629624","Present"
-"4-Methylglutamic acid","","","","","","","","","","","","","","","","","","","","NSC41355","","CC(CC(C(=O)O)N)C(=O)O","KRKRAOXTGDJWNI-UHFFFAOYSA-N","5365",NA,"PDBC24352","41355","Present"
-"4-Methylnaphtho[2,3-d][1,3]dioxepine-6,11-dione","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-d]-1,3-dioxepin-6,11-dione, 4-methyl-","","CC1=CC2=C(C(=O)C3=CC=CC=C3C2=O)OCO1","BKFZQMIRRZGNCG-UHFFFAOYSA-N","362653",NA,"PDBC24353","626868","Present"
-"4-Methylnicotinamide","","","","","","","","","","","","","","","","","","","","CM-1931","","CC1=C(C=NC=C1)C(=O)N","SXKLOQCGXUTBNP-UHFFFAOYSA-N","95692",NA,"PDBC24354","30041","Present"
-"4-Methyloctadecanoic acid","","","","","","","","","","","","","","","","","","","","LMFA01020215","","CCCCCCCCCCCCCCC(C)CCC(=O)O","RFKPYBOOPHCXSY-UHFFFAOYSA-N","361947",NA,"PDBC24355","625432","Present"
-"4-Methylphenyl 3-methyl-4-phenyl-2-thienyl sulfone","","","","","","","","","","","","","","","","","","","","4-Methylphenyl 3-methyl-4-phenyl-2-thienyl sulfone","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CS2)C3=CC=CC=C3)C","VMBDZEUERXPHKT-UHFFFAOYSA-N","376282",NA,"PDBC24356","656996","Present"
-"4-Methylphenyl 6H-quino[2',3':4,5]cyclopenta[1,2-b]quinoxalin-6-yl sulfone","","","","","","","","","","","","","","","","","","","","4-Methylphenyl 6H-quino[2',3':4,5]cyclopenta[1,2-b]quinoxalin-6-yl sulfone","","CC1=CC=C(C=C1)S(=O)(=O)C2C3=NC4=CC=CC=C4C=C3C5=NC6=CC=CC=C6N=C25","SDMIDEPAICYTQS-UHFFFAOYSA-N","375029",NA,"PDBC24357","653855","Present"
-"4-Methylpyridinium-trans-[tetrachlorobis(4-methyl- pyrid...","","","","","","","","","","","","","","","","","","","","4-Methylpyridinium-trans-[tetrachlorobis(4-methyl- pyrid...","","","","",NA,"PDBC24358","631480","Present"
-"4-Methylquinazolin-2-amine","","","","","","","","","","","","","","","","","","","","9205AB","","CC1=NC(=NC2=CC=CC=C12)N","RWDYNDCLJPWKJU-UHFFFAOYSA-N","269325",NA,"PDBC24359","110275","Present"
-"4-Methylsulfanyl-1H-imidazo[4,5-d]pyridazine","","","","","","","","","","","","","","","","","","","","4-Methylsulfanyl-1H-imidazo[4,5-d]pyridazine","","CSC1=C2C(=CN=N1)NC=N2","ROMSPVUYLMFSBM-UHFFFAOYSA-N","5469591",NA,"PDBC24360","690579","Present"
-"4-Methylsulfanyl-2,6-dioxo-1-(p-tolyl)-3H-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","4-Methylsulfanyl-2,6-dioxo-1-(p-tolyl)-3H-pyridine-3,5-dicarbonitrile","","CC1=CC=C(C=C1)N2C(=O)C(C(=C(C2=O)C#N)SC)C#N","WINKURHOUSUKCJ-UHFFFAOYSA-N","390323",NA,"PDBC24361","687615","Present"
-"4-Methylsulfanyl-2-phenyl-3H-1,5-benzodiazepine","","","","","","","","","","","","","","","","","","","","ZTKLRYVOHDXCKV-UHFFFAOYSA-N","","CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=CC=C3","ZTKLRYVOHDXCKV-UHFFFAOYSA-N","371096",NA,"PDBC24362","645043","Present"
-"4-Methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-(Methylsulfanyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine","","CSC1=NC=NC2=C1CCN2","MUGTZPLDFSFWLD-UHFFFAOYSA-N","373189",NA,"PDBC24363","649155","Present"
-"4-Methylsulfanyl-6-oxo-1-(p-tolyl)-2-thioxo-3H-pyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","4-Methylsulfanyl-6-oxo-1-(p-tolyl)-2-thioxo-3H-pyridine-3,5-dicarbonitrile","","CC1=CC=C(C=C1)N2C(=S)C(C(=C(C2=O)C#N)SC)C#N","VUDXOGAVJFCSKS-UHFFFAOYSA-N","390304",NA,"PDBC24364","687596","Present"
-"4-Methylsulfanyl-6-phenyl-1,3,5-triazin-2-ol","","","","","","","","","","","","","","","","","","","","Maybridge1_004362","","CSC1=NC(=O)NC(=N1)C2=CC=CC=C2","LNZNGZRZPAVAIL-UHFFFAOYSA-N","15961",NA,"PDBC24365","692223","Present"
-"4-Methylsulfonyloxybutyl fluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","4-[(Methylsulfonyl)oxy]butyl fluoromethanesulfonate","","CS(=O)(=O)OCCCCOS(=O)(=O)CF","QIPRHWYRMXRBSM-UHFFFAOYSA-N","383019",NA,"PDBC24366","671003","Present"
-"4-Methylthiazolium-trans-[tetrachlorobis(4-methylthiazol...","","","","","","","","","","","","","","","","","","","","4-Methylthiazolium-trans-[tetrachlorobis(4-methylthiazol...","","","","",NA,"PDBC24367","630138","Present"
-"4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline","","","","","","","","","","","","","","","","","","","","4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline","","COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC","ANLBBCQAUDTUDK-UHFFFAOYSA-N","373808",NA,"PDBC24368","650771","Present"
-"4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride","","","","","","","","","","","","","","","","","","","","4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline Hydrochlo...","","COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC.Cl","BIZKSGXADYRVJM-UHFFFAOYSA-N","373809",NA,"PDBC24369","650772","Present"
-"4-Methylthiochromeno[2,3-b]pyridin-5-one","","","","","","","","","","","","","","","","","","","","4-Methylthiochromeno[2,3-b]pyridin-5-one","","CC1=C2C(=O)C3=CC=CC=C3SC2=NC=C1","GXJACKJMPVJWHZ-UHFFFAOYSA-N","391088",NA,"PDBC24370","689623","Present"
-"4-Methylumbelliferyl acetate","","","","","","","","","","","","","","","","","","","","NSC1059///NSC31658","","CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C","HXVZGASCDAGAPS-UHFFFAOYSA-N","366",NA,"PDBC24371","1059///31658","Present"
-"4-Morpholin-4-yl-6[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-1,5-triazin-2-ylamine","","","","","","","","","","","","","","","","","","","","4-morpholin-4-yl-6[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]...","","C1COCCN1C2=NC(=NC(=N2)N)C=CC3=CC=C(S3)[N+](=O)[O-]","KDKMGIDTAGPTIE-IWQZZHSRSA-N","24205526",NA,"PDBC24372","736081","Present"
-"4-Morpholin-4-ylpiperidine-1-carboximidamide;sulfuric acid","","","","","","","","","","","","","","","","","","","","NSC664994","","C1CN(CCC1N2CCOCC2)C(=N)N.OS(=O)(=O)O","UFNLAQCIDMPLTK-UHFFFAOYSA-N","379858",NA,"PDBC24373","664994","Present"
-"4-Morpholinecarboximidamide, N-(3-nitro-4-quinolinyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","4-Morpholinecarboximidamide, N-(3-nitro-4-quinolinyl)-, ...","","C1COCCN1C(=NC2=C(C=NC3=CC=CC=C32)[N+](=O)[O-])N.Cl","ORBIQTDRGNZJJQ-UHFFFAOYSA-N","365184",NA,"PDBC24374","632475","Present"
-"4-Morpholinepentanoic acid, ethyl ester, hydrochloride","","","","","","","","","","","","","","","","","","","","4-Morpholinepentanoic acid, .alpha.-(phenylmethylene)- ....","","CCOC(=O)C(=CC1=CC=CC=C1)C(=O)CCN2CCOCC2.Cl","XLHSAXPAXFBULF-ULQCMBKMSA-N","5386796",NA,"PDBC24375","617823","Present"
-"4-Morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile","","C1COCCN1C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4CO4","RJNDVEKZNZXAAU-UHFFFAOYSA-N","45029198",NA,"PDBC24376","745591","Present"
-"4-Morpholino-6-oxo-1-phenyl-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Morpholino-6-oxo-1-phenyl-pyrimidine-5-carbonitrile","","C1COCCN1C2=C(C(=O)N(C=N2)C3=CC=CC=C3)C#N","OGANWVGTEGDXSK-UHFFFAOYSA-N","395690",NA,"PDBC24377","700474","Present"
-"4-Morpholino-6-phenyl-2-thioxo-1H-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Morpholino-6-phenyl-2-thioxo-1H-pyrimidine-5-carbonitrile","","C1COCCN1C2=NC(=S)NC(=C2C#N)C3=CC=CC=C3","CCADPJPLVPHEJS-UHFFFAOYSA-N","45028809",NA,"PDBC24378","744449","Present"
-"4-Morpholinobenzonitrile","","","","","","","","","","","","","","","","","","","","Maybridge3_004519","","C1COCCN1C2=CC=C(C=C2)C#N","ZSCUWVQXQDCSRV-UHFFFAOYSA-N","394808",NA,"PDBC24379","698610","Present"
-"4-N,5-N-Dibenzyl-1H-imidazole-4,5-dicarbothioamide","","","","","","","","","","","","","","","","","","","","4-N,5-N-Dibenzyl-1H-imidazole-4,5-dicarbothioamide","","C1=CC=C(C=C1)CNC(=S)C2=C(N=CN2)C(=S)NCC3=CC=CC=C3","PQWLYYNMBVOUHD-UHFFFAOYSA-N","5470687",NA,"PDBC24380","704224","Present"
-"4-N,6-N-Bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine","","","","","","","","","","","","","","","","","","","","N4,N6-bis(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyr...","","CN1C2=NC(=NC(=C2C=N1)NC3=CC(=CC=C3)Cl)NC4=CC(=CC=C4)Cl","HRCYEQFRHAXCRH-UHFFFAOYSA-N","223753",NA,"PDBC24381","11668","Present"
-"4-N,6-N-Bis(4-bromophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4-d]pyrimidine, 4,6-bis(p-bromoanilino)-1-...","","CN1C2=NC(=NC(=C2C=N1)NC3=CC=C(C=C3)Br)NC4=CC=C(C=C4)Br","PWZSMHFUFVPPLU-UHFFFAOYSA-N","223752",NA,"PDBC24382","11667","Present"
-"4-N,6-N-Bis[(4-methoxyphenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N,N'-Bis-(4-methoxy-benzyl)-N''-phenyl-[1,3,5]triazine-2...","","COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3=CC=CC=C3)NCC4=CC=C(C=C4)OC","YTNIZJUNDZMPCP-UHFFFAOYSA-N","405311",NA,"PDBC24383","722504","Present"
-"4-N,6-N-Bis[(4-methoxyphenyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N-Isopropyl-N',N''-bis-(4-methoxy-benzyl)-[1,3,5]triazin...","","CC(C)NC1=NC(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC","HSWUTURWPNHWCX-UHFFFAOYSA-N","405310",NA,"PDBC24384","722503","Present"
-"4-N,7-N-Bis(3-bromophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4,7-diamine","","","","","","","","","","","","","","","","","","","","4-N,7-N-Bis(3-bromophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4,7-diamine","","C1CC2=C(CC1NC3=CC(=CC=C3)Br)SC4=NC=NC(=C24)NC5=CC(=CC=C5)Br","LCZNKZIQQUVUPA-UHFFFAOYSA-N","396716",NA,"PDBC24385","703325","Present"
-"4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde","","","","","","","","","","","","","","","","","","","","o-Tolualdehyde, 4-(bis(2-chloroethyl)amino)-","","CC1=C(C=CC(=C1)N(CCCl)CCCl)C=O","ZQIAXDULHBLZJE-UHFFFAOYSA-N","141295",NA,"PDBC24386","49520","Present"
-"4-N,N-Bis-2'-cyanoethylaminobenzylidene rhodanine","","","","","","","","","","","","","","","","","","","","4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine","","C1=CC(=CC=C1C=C2C(=O)NC(=S)S2)N(CCC#N)CCC#N","YFYBUQFLYHSAPN-KAMYIIQDSA-N","5469593",NA,"PDBC24387","690614","Present"
-"4-N,N-Bis-2'-cyanoethylaminobenzylidene-4-fluoro aniline","","","","","","","","","","","","","","","","","","","","4-N,N-bis-2'-cyanoethylaminobenzylidene-4-fluoro aniline","","C1=CC(=CC=C1C=NC2=CC=C(C=C2)F)N(CCC#N)CCC#N","QAHQLQIMBCMWSR-UHFFFAOYSA-N","359414",NA,"PDBC24388","620277","Present"
-"4-N,N-bis-2'-carboxyethylaminobenzylidene rhodanine","","","","","","","","","","","","","","","","","","","","4-N,N-bis-2'-carboxyethylaminobenzylidene rhodanine","","C1=CC(=CC=C1C=C2C(=O)NC(=S)S2)N(CCC(=O)O)CCC(=O)O","NABNHBIDWSHAER-XFXZXTDPSA-N","5469598",NA,"PDBC24389","690619","Present"
-"4-N-(1-Adamantyl)-6-chloropyrimidine-2,4,5-triamine","","","","","","","","","","","","","","","","","","","","4-N-(1-Adamantyl)-6-chloropyrimidine-2,4,5-triamine","","C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC(=N4)N)Cl)N","DRBBEWLHAWBSKP-UHFFFAOYSA-N","394863",NA,"PDBC24390","698952","Present"
-"4-N-(3-Chlorophenyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine","","","","","","","","","","","","","","","","","","","","4-N-(3-Chlorophenyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine","","COC1=CC=CC=C1C=CC2=C(N=CN=C2NC3=CC(=CC=C3)Cl)N","FLTVXYFGUTYAFM-MDZDMXLPSA-N","5472820",NA,"PDBC24391","721685","Present"
-"4-N-(4-Bromophenyl)-2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N4-(4-bromophenyl)-N2-(3-((7-chloroquinolin-4-yl)amino)p...","","C1=CC(=CC=C1NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl)Br","FYXYXJQVBAYNDT-UHFFFAOYSA-N","117826050",NA,"PDBC24392","775298","Present"
-"4-N-(4-Bromophenyl)-5-[(4-bromophenyl)iminomethyl]pyrimidine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","4-N-(4-Bromophenyl)-5-[(4-bromophenyl)iminomethyl]pyrimidine-2,4,6-triamine","","C1=CC(=CC=C1NC2=NC(=NC(=C2C=NC3=CC=C(C=C3)Br)N)N)Br","HDDBHWGGFGATQQ-UHFFFAOYSA-N","266203",NA,"PDBC24393","103520","Present"
-"4-N-(4-Chlorophenyl)-2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N4-(4-chlorophenyl)-N2-(2-((7-chloroquinolin-4-yl)amino)...","","C1=CC(=CC=C1NC2=NC(=NC=C2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl)Cl","GQSSPBGEZWPQLM-UHFFFAOYSA-N","117827342",NA,"PDBC24394","775296","Present"
-"4-N-(4-Methoxyphenyl)-4-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N4-(4-methoxyphenyl)-N4-methyl-5,6,7,8-tetrahydrobenzo[4...","","CN(C1=CC=C(C=C1)OC)C2=C3C4=C(CCCC4)SC3=NC(=N2)N","OCQIQTVMFXIILG-UHFFFAOYSA-N","54767926",NA,"PDBC24395","800146","Present"
-"4-N-(6-Chloro-2,3-dimethoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","4-N-(6-Chloro-2,3-dimethoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride","","CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)Cl.Cl","CSEWKOBGWBDZIS-UHFFFAOYSA-N","24181960",NA,"PDBC24396","13001","Present"
-"4-N-(7-Chloroquinolin-4-yl)-1-N-cyclohexylcyclohexane-1,4-diamine","","","","","","","","","","","","","","","","","","","","4-N-(7-Chloroquinolin-4-yl)-1-N-cyclohexylcyclohexane-1,4-diamine","","C1CCC(CC1)NC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl","FTQCIXDQYNLVGY-UHFFFAOYSA-N","220625",NA,"PDBC24397","3618","Present"
-"4-N-Benzyl-2-N-phenylquinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","NSC766743","","C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4","TZQBMINEPXWUBX-UHFFFAOYSA-N","805487",NA,"PDBC24398","766743","Present"
-"4-N-Butan-2-ylbenzene-1,4-diamine","","","","","","","","","","","","","","","","","","","","1,4-Benzenediamine, N-(1-methylpropyl)- (9CI)","","CCC(C)NC1=CC=C(C=C1)N","CMBRHCVQODXRRS-UHFFFAOYSA-N","304050",NA,"PDBC24399","194887","Present"
-"4-N-Methyl-N-2'-cyanoethylaminobenzylidene rhodanine","","","","","","","","","","","","","","","","","","","","4-N-Methyl-N-2'-cyanoethylaminobenzylidene rhodanine","","CN(CCC#N)C1=CC=C(C=C1)C=C2C(=O)NC(=S)S2","GXPVEIYAGUQFEM-XFXZXTDPSA-N","5469597",NA,"PDBC24400","690618","Present"
-"4-N-Phenyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine","","","","","","","","","","","","","","","","","","","","piperidine, 4-(p-anilinoanilino)-2,2,6,6-tetramethyl- (8ci)","","CC1(CC(CC(N1)(C)C)NC2=CC=C(C=C2)NC3=CC=CC=C3)C","NQIGBASDJIFWRK-UHFFFAOYSA-N","365208",NA,"PDBC24401","632536","Present"
-"4-N-[(E)-(8-Aminoquinolin-5-yl)methylideneamino]quinoline-4,8-diamine","","","","","","","","","","","","","","","","","","","","5-Quinolinecarboxaldehyde, 8-amino-, 2-(8-amino-4-quinol...","","C1=CC2=C(C=CN=C2C(=C1)N)NN=CC3=C4C=CC=NC4=C(C=C3)N","ZODAOKXAWHCPHW-BHGWPJFGSA-N","155814958",NA,"PDBC24402","790110","Present"
-"4-N-[10-[(2-Amino-6-chloropyrimidin-4-yl)amino]decyl]-6-chloropyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N4-[10-[(2-Amino-6-chloro-pyrimidin-4-yl)amino]decyl]-6-chloro-pyrimidine-2,4-diamine","","C1=C(N=C(N=C1Cl)N)NCCCCCCCCCCNC2=CC(=NC(=N2)N)Cl","REFFSBPVNNVPTC-UHFFFAOYSA-N","363999",NA,"PDBC24403","629621","Present"
-"4-N-[12-[(5-Amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-4,5-diamine","","","","","","","","","","","","","","","","","","","","4-N-[12-[(5-Amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-4,5-diamine","","C1=NC(=C(C(=N1)Cl)N)NCCCCCCCCCCCCNC2=C(C(=NC=N2)Cl)N","LXWCDSNTODNEPX-UHFFFAOYSA-N","358989",NA,"PDBC24404","619196","Present"
-"4-N-[3-(Dimethylamino)propyl]-8-N-methyl-5-nitroquinoline-4,8-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","4-N-[3-(Dimethylamino)propyl]-8-N-methyl-5-nitroquinoline-4,8-diamine;hydrochloride","","CNC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCCN(C)C.Cl","QPOWEKHGFUCZFK-UHFFFAOYSA-N","5388836",NA,"PDBC24405","639208","Present"
-"4-N-[3-[(5-Amino-6-chloropyrimidin-4-yl)amino]propyl]-6-chloropyrimidine-4,5-diamine","","","","","","","","","","","","","","","","","","","","N~4~-(3-((5-Amino-6-chloro-4-pyrimidinyl)amino)propyl)-6-chloro-4,5-pyrimidinediamine","","C1=NC(=C(C(=N1)Cl)N)NCCCNC2=C(C(=NC=N2)Cl)N","YMZUTKAVZIOQJH-UHFFFAOYSA-N","374880",NA,"PDBC24406","653416","Present"
-"4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride","","CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN(C)C)CN(C)C.Cl","NFJCNXAQQZKLQH-UHFFFAOYSA-N","384799",NA,"PDBC24407","675252","Present"
-"4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[2-chloroethyl(hydrazinyl)amino]phenyl]benzene-1,4-dicarboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[2-chloroethyl(hydrazinyl)amino]phenyl]benzene-1,4-dicarboxamide;hydrochloride","","CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)N(CCCl)NN)CN(C)C.Cl","NBEOUUFURODOCM-UHFFFAOYSA-N","384797",NA,"PDBC24408","675251","Present"
-"4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide;hydrochloride","","CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CN(C)C.Cl","CIISNMOLCZQSBC-UHFFFAOYSA-N","384801",NA,"PDBC24409","675253","Present"
-"4-N-[4-(1H-Benzimidazol-2-yl)phenyl]-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N-[4-(1H-Benzoimidazol-2-yl)-phenyl]-N'-(4-fluoro-phenyl...","","C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","QCIPIFQKIPVYNO-UHFFFAOYSA-N","155805722",NA,"PDBC24410","787247","Present"
-"4-N-[4-(1H-Benzimidazol-2-yl)phenyl]-6-N-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine","","","","","","","","","","","","","","","","","","","","N4-[4-(1H-Benzoimidazol-2-yl)-phenyl]-N6-(4-fluoro-pheny...","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC4=NC(=NC5=C4C=NN5)NC6=CC=C(C=C6)F","WFJYNFOUYAPVNM-UHFFFAOYSA-N","155808893",NA,"PDBC24411","788374","Present"
-"4-N-[4-(1H-Benzimidazol-2-yl)phenyl]-6-N-benzyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine","","","","","","","","","","","","","","","","","","","","N4-[4-(1H-Benzoimidazol-2-yl)-phenyl]-N6-benzyl-1H-pyraz...","","C1=CC=C(C=C1)CNC2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","ONYOROGKLOXZOU-UHFFFAOYSA-N","155805890",NA,"PDBC24412","788375","Present"
-"4-N-[4-[2-Amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","4-N-[4-[2-Amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine","","COC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=C(C=C6)Cl)N","CFJDKTPJALLQTR-UHFFFAOYSA-N","54612921",NA,"PDBC24413","749382","Present"
-"4-N-[4-[2-Amino-6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","4-N-[4-[2-Amino-6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine","","CN(C)C1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=C(C=C6)Cl)N","SNPUMJHXXKYXJF-UHFFFAOYSA-N","54612923",NA,"PDBC24414","749384","Present"
-"4-N-[5-[[4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-2,3-dihydroxy-1-N-methylbenzene-1,4-dicarboxamide","","","","","","","","","","","","","","","","","","","","4-N-[5-[[4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-2,3-dihydroxy-1-N-methylbenzene-1,4-dicarboxamide","","CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)C1=C(C(=C(C=C1)C(=O)NC)O)O)O)O)O","VSGMSRUQPCIDQZ-UHFFFAOYSA-N","391976",NA,"PDBC24415","691698","Present"
-"4-Naphthalen-2-ylmethylene-2-phenyl-4H-oxazol-5-one","","","","","","","","","","","","","","","","","","","","4-Naphthalen-2-ylmethylene-2-phenyl-4H-oxazol-5-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC4=CC=CC=C4C=C3)C(=O)O2","VJEQAFKSQWRSLC-AQTBWJFISA-N","5387547",NA,"PDBC24416","624453","Present"
-"4-Nitro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azobenzene","","","","","","","","","","","","","","","","","","","","4-Nitro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azobenzene","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)[N+](=O)[O-]","BIZPYDZJGRXSQV-UHFFFAOYSA-N","365291",NA,"PDBC24417","632842","Present"
-"4-Nitro-1-pentofuranosyl-1h-imidazol-5-amine","","","","","","","","","","","","","","","","","","","","4-Nitro-1-pentofuranosyl-1h-imidazol-5-amine","","C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)[N+](=O)[O-]","RXWCGMQQMZNSON-UHFFFAOYSA-N","275460",NA,"PDBC24418","122329","Present"
-"4-Nitro-10,10-dioxo-thioxanthen-9-one","","","","","","","","","","","","","","","","","","","","4-Nitro-9H-thioxanthen-9-one 10,10-dioxide","","C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C(=CC=C3)[N+](=O)[O-]","ZIFDGQDOEXFOAO-UHFFFAOYSA-N","378894",NA,"PDBC24419","662302","Present"
-"4-Nitro-16-phenyl-15-sulfanylidene-12-thia-14,16-diazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),3,5,13(18)-pentaen-17-one","","","","","","","","","","","","","","","","","","","","4-Nitro-16-phenyl-15-sulfanylidene-12-thia-14,16-diazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),3,5,13(18)-pentaen-17-one","","C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)SC4=C3C(=O)N(C(=S)N4)C5=CC=CC=C5","AUBWNPWIPTWATM-UHFFFAOYSA-N","5472330",NA,"PDBC24420","717899","Present"
-"4-Nitro-2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline","","","","","","","","","","","","","","","","","","","","4-Nitro-2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline","","C1=CC=C(C=C1)C=CC=NC2=C(C=CC(=C2)[N+](=O)[O-])N","FHGCGGSPHMBGPN-ZFENKPHASA-N","6050084",NA,"PDBC24421","155594","Present"
-"4-Nitro-3a,9b-dihydrobenzo[g][1]benzofuran-6,9-diol","","","","","","","","","","","","","","","","","","","","4-Nitro-3a,9b-dihydrobenzo[g][1]benzofuran-6,9-diol","","C1=COC2C1C(=CC3=C(C=CC(=C23)O)O)[N+](=O)[O-]","LKSOGXZBRDWWSX-UHFFFAOYSA-N","3424350",NA,"PDBC24422","704283","Present"
-"4-Nitro-4-propyl-heptanediamide","","","","","","","","","","","","","","","","","","","","4-Nitro-4-propylheptanediamide","","CCCC(CCC(=O)N)(CCC(=O)N)[N+](=O)[O-]","WVWBCPSRFABXQN-UHFFFAOYSA-N","387079",NA,"PDBC24423","680470","Present"
-"4-Nitro-4-propyl-heptanedioic acid","","","","","","","","","","","","","","","","","","","","4-Nitro-4-propylheptanedioic acid","","CCCC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-]","UVQNPQKYHXQSAY-UHFFFAOYSA-N","387108",NA,"PDBC24424","680504","Present"
-"4-Nitro-6-(trifluoromethyl)-2,1,3-benzoselenadiazole","","","","","","","","","","","","","","","","","","","","2,1,3-Benzoselanadiazole, nitro-6-(trifluoromethyl)-","","C1=C(C=C(C2=N[Se]N=C21)[N+](=O)[O-])C(F)(F)F","KXIIVIWWQMLJMU-UHFFFAOYSA-N","362897",NA,"PDBC24425","627371","Present"
-"4-Nitro-N-(phenoxathiin-2-ylcarbamothioyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Nitro-N-(phenoxathiin-2-ylcarbamothioyl)benzamide","","C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","VLHSVOFLJOYVOR-UHFFFAOYSA-N","5472353",NA,"PDBC24426","718029","Present"
-"4-Nitro-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-Nitro-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide","","CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","DZCRDACLOICYRT-KRWDZBQOSA-N","391582",NA,"PDBC24427","691037","Present"
-"4-Nitro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Nitro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide","","CC1=CC(=NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(C1)(C)C","WQVJFQXHHQHFRS-FOWTUZBSSA-N","5934190",NA,"PDBC24428","12053","Present"
-"4-Nitro-N-[4-(pyridin-4-ylamino)phenyl]benzamide","","","","","","","","","","","","","","","","","","","","4-Nitro-N-[4-(pyridin-4-ylamino)phenyl]benzamide","","C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=NC=C3)[N+](=O)[O-]","LXRNPLQXTWJKIP-UHFFFAOYSA-N","4261343",NA,"PDBC24429","146769","Present"
-"4-Nitro-beta-(2-aminophenylthio)-alpha,beta-dihydrochalcone","","","","","","","","","","","","","","","","","","","","Maybridge1_006978","","C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3N","OCVFYWNXMPQBJZ-UHFFFAOYSA-N","300908",NA,"PDBC24430","176391","Present"
-"4-Nitrobenzamide","","","","","","","","","","","","","","","","","","","","p-Nitrobenzamide","","C1=CC(=CC=C1C(=O)N)[N+](=O)[O-]","ZESWUEBPRPGMTP-UHFFFAOYSA-N","12091",NA,"PDBC24431","2902","Present"
-"4-Nitrobenzohydroxamic acid","","","","","","","","","","","","","","","","","","","","p-Nitrobenzhydroxamic acid","","C1=CC(=CC=C1C(=O)NO)[N+](=O)[O-]","NORABPMBUQMZLT-UHFFFAOYSA-N","5043691",NA,"PDBC24432","13998","Present"
-"4-Nitrochalcone oxide","","","","","","","","","","","","","","","","","","","","NSC409749","","C1=CC=C(C=C1)C(=O)C2C(O2)C3=CC=C(C=C3)[N+](=O)[O-]","QGQILXBVXCHHOM-UHFFFAOYSA-N","99887",NA,"PDBC24433","409749","Present"
-"4-Nitroestrone 3-methyl ether","","","","","","","","","","","","","","","","","","","","4-nitroestrone 3-methyl ether","","CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4[N+](=O)[O-])OC","QDFCXLJPTBSDPF-BFDPJXHCSA-N","100580",NA,"PDBC24434","321803","Present"
-"4-Nitronaphtho[1,2-b]furan-6,9-dione","","","","","","","","","","","","","","","","","","","","4-Nitrobenzo[g]benzofuran-6,9-dione","","C1=CC(=O)C2=C3C(=C(C=C2C1=O)[N+](=O)[O-])C=CO3","PGOOVXRVHCAUKQ-UHFFFAOYSA-N","397022",NA,"PDBC24435","704285","Present"
-"4-Nitronaphtho[2,3-f][1,3]benzodioxole-5,10-dione","","","","","","","","","","","","","","","","","","","","4-Nitronaphtho[2,3-f][1,3]benzodioxole-5,10-dione","","C1OC2=C(O1)C(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]","PPORIJGQJTZRNJ-UHFFFAOYSA-N","354141",NA,"PDBC24436","604869","Present"
-"4-Nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","JZL-195","","C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]","QNYRAEKLMNDRFY-UHFFFAOYSA-N","46232606",NA,"PDBC24437","763527","Present"
-"4-Nitrophenylbis[4-(dimethylamino)phenyl]methane","","","","","","","","","","","","","","","","","","","","NSC3323","","CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)[N+](=O)[O-]","LCHYXWHFOJGIHN-UHFFFAOYSA-N","220490",NA,"PDBC24438","3323","Present"
-"4-Nitrophenylhydrazone of N-benzyl-di(methoxyphosphoryl)-formamide","","","","","","","","","","","","","","","","","","","","4-Nitrophenylhydrazone of N-benzyl-di(methoxyphosphoryl)...","","COP(=O)(C(=NCC1=CC=CC=C1)NNC2=CC=C(C=C2)[N+](=O)[O-])OC","KAEJTMMJESUTAV-UHFFFAOYSA-N","3543258",NA,"PDBC24439","653564","Present"
-"4-Nitroquinoline N-oxide","","","","","","","","","","","","","","","","","","","","Nitrochin","","C1=CC=C2C(=C1)C(=CC=[N+]2[O-])[N+](=O)[O-]","YHQDZJICGQWFHK-UHFFFAOYSA-N","5955",NA,"PDBC24440","19645","Present"
-"4-Nonyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione","","","","","","","","","","","","","","","","","","","","4-Nonyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione","","CCCCCCCCCC1CC(=O)OC2=C1C(=O)CCC2","WFZLNDMFPUIHIQ-UHFFFAOYSA-N","365018",NA,"PDBC24441","631953","Present"
-"4-O,5-O-Isopropylidene-D-altrose 1,3-propanediyl dithioacetal","","","","","","","","","","","","","","","","","","","","NSC693232","","CC1(OC(C(O1)C(C(C2SCCCS2)O)O)CO)C","CSZFPFAJPJDJJD-XFWSIPNHSA-N","392653",NA,"PDBC24442","693232","Present"
-"4-O-(4-Methyl-2-oxochromen-7-yl) 1-O-prop-2-ynyl (E)-but-2-enedioate","","","","","","","","","","","","","","","","","","","","4-O-(4-Methyl-2-oxochromen-7-yl) 1-O-prop-2-ynyl (E)-but-2-enedioate","","CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C=CC(=O)OCC#C","LBPNBSFBRVTADK-VOTSOKGWSA-N","45027909",NA,"PDBC24443","740068","Present"
-"4-O-Benzyl 1-O-[[3,4,5-trihydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-2-yl]methyl] butanedioate","","","","","","","","","","","","","","","","","","","","4-O-Benzyl 1-O-[[3,4,5-trihydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-2-yl]methyl] butanedioate","","C1=CC=C(C=C1)COC(=O)CCC(=O)OCC2C(C(C(O2)(CC3C(C(C(C(O3)CO)O)O)O)O)O)O","FUWNCERKXSMFNU-UHFFFAOYSA-N","385629",NA,"PDBC24444","676975","Present"
-"4-O-Demethylpenclomedine","","","","","","","","","","","","","","","","","","","","4-demethyl-penclomedine","","COC1=C(C(=O)C(=C(N1)C(Cl)(Cl)Cl)Cl)Cl","GUYGGZGIKZIRFO-UHFFFAOYSA-N","388136",NA,"PDBC24445","682691","Present"
-"4-O-Ethyl 14-O-methyl 2,3-dimethyl-15-oxo-17-oxa-2,16-diazapentacyclo[12.2.1.01,12.05,16.06,11]heptadeca-3,6,8,10-tetraene-4,14-dicarboxylate","","","","","","","","","","","","","","","","","","","","4-O-Ethyl 14-O-methyl 2,3-dimethyl-15-oxo-17-oxa-2,16-diazapentacyclo[12.2.1.01,12.05,16.06,11]heptadeca-3,6,8,10-tetraene-4,14-dicarboxylate","","CCOC(=O)C1=C(N(C23C4CC(O2)(C(=O)N3C1C5=CC=CC=C45)C(=O)OC)C)C","XMDWSQCSSVTOKM-UHFFFAOYSA-N","396653",NA,"PDBC24446","703167","Present"
-"4-O-Ethyl 6-O-methyl 5-(3-chlorophenyl)-2-formyl-7-methyl-1,3-benzothiazole-4,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","4-Ethyl 6-methyl 5-(3-chlorophenyl)-2-formyl-7-methyl-1,3-benzothiazole-4,6-dicarboxylate","","CCOC(=O)C1=C(C(=C(C2=C1N=C(S2)C=O)C)C(=O)OC)C3=CC(=CC=C3)Cl","TVPJSUWIAMGVRU-UHFFFAOYSA-N","402918",NA,"PDBC24447","717240","Present"
-"4-O-Methyl 1,3,4-tetraphenyl-7-oxo-bicyclo[2.2.1]hept-2-en-5,6-dicarb oxylate","","","","","","","","","","","","","","","","","","","","4-O-Methyl 1,2,3,4-tetraphenyl-7-oxo-bicyclo[2.2.1]hept-...","","COC(=O)C1C(C2(C(=C(C1(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O","SLKNHUCBKVRDNK-UHFFFAOYSA-N","24205203",NA,"PDBC24448","734598","Present"
-"4-O-Tert-butyl 1-O-propan-2-yl 2-[8-(hydroxymethyl)-12-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanedioate","","","","","","","","","","","","","","","","","","","","4-(1,1-Dimethylethyl)-1-(1-methylethyl)-{9,10-dihydro-12...","","CC(C)OC(=O)C(CC(=O)OC(C)(C)C)C1=C(C(=O)N2CC3=C(C4=CC=CC=C4N=C3C2=C1)OC)CO","BOAYNPLFPQJIIB-UHFFFAOYSA-N","384499",NA,"PDBC24449","674347","Present"
-"4-O-[[(1R,4As,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl] 1-O-methyl butanedioate","","","","","","","","","","","","","","","","","","","","4-O-[[(1R,4As,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl] 1-O-methyl butanedioate","","CC1(CCCC2(C1CCC(=C)C2CCC3=CC(=O)OC3)C)COC(=O)CCC(=O)OC","MMRRZJHBHGKINI-QIHUWEDASA-N","399553",NA,"PDBC24450","710425","Present"
-"4-Oxa-1,3-diazapentacyclo[8.6.1.12,5.06,17.011,16]octadeca-2,5(18),10(17),11,13,15-hexaene","","","","","","","","","","","","","","","","","","","","4-Oxa-1,3-diazapentacyclo[8.6.1.12,5.06,17.011,16]octadeca-2,5(18),10(17),11,13,15-hexaene","","C1CC2C3=CC(=NO3)N4C2=C(C1)C5=CC=CC=C54","VGLFNYFIVQFYAY-UHFFFAOYSA-N","396631",NA,"PDBC24451","703130","Present"
-"4-Oxido-3-phenyl-1,4-benzoxazin-4-ium-2-one","","","","","","","","","","","","","","","","","","","","4-oxido-3-phenyl-1,4-benzoxazin-4-ium-2-one","","C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3OC2=O)[O-]","AURJVESGPOWRRS-UHFFFAOYSA-N","364684",NA,"PDBC24452","631318","Present"
-"4-Oxido-3-phenyl-2H-1,4-benzoxazin-4-ium","","","","","","","","","","","","","","","","","","","","4-oxido-3-phenyl-2H-1,4-benzoxazin-4-ium","","C1C(=[N+](C2=CC=CC=C2O1)[O-])C3=CC=CC=C3","QGPSJQQNOWKCRD-UHFFFAOYSA-N","367135",NA,"PDBC24453","636522","Present"
-"4-Oxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde","","","","","","","","","","","","","","","","","","","","BVRXDFFPQAIFFP-UHFFFAOYSA-","","C1=C(C2=C(N1)C(=O)NC=N2)C=O","BVRXDFFPQAIFFP-UHFFFAOYSA-N","135408953",NA,"PDBC24454","649159","Present"
-"4-Oxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid","","C1=C(C2=C(N1)C(=O)NC=N2)C(=O)O","HCRPEPKPPKRFIH-UHFFFAOYSA-N","135408952",NA,"PDBC24455","649158","Present"
-"4-Oxo-1-pentofuranosyl-2,4-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboximidamide--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4-d]pyrimidine-3-carboximidamide, 4,5-dihy...","","C1=NC2=C(C(=NN2C3C(C(C(O3)CO)O)O)C(=N)N)C(=O)N1.Cl","PVJKNKLXEAXWCF-UHFFFAOYSA-N","135502367",NA,"PDBC24456","367413","Present"
-"4-Oxo-1H-1,7-phenanthroline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Oxo-1H-1,7-phenanthroline-3-carboxylic acid","","C1=CNC2=CC=C3C(=NC=C(C3=O)C(=O)O)C2=C1","NCZFSJCBDORBEP-UHFFFAOYSA-N","367727",NA,"PDBC24457","637664","Present"
-"4-Oxo-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Oxo-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid","","C1CCC2=C(C1)C(CCC2=O)C(=O)O","PEPDJWVHADLIQY-UHFFFAOYSA-N","361358",NA,"PDBC24458","624384","Present"
-"4-Oxo-2-phenyl-1,4-dihydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","AUURMJWGTGRBMW-UHFFFAOYSA-N","","C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)C#N","AUURMJWGTGRBMW-UHFFFAOYSA-N","380169",NA,"PDBC24459","665607","Present"
-"4-Oxo-2-phenyl-1H-quinoline-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","4-Oxo-2-phenyl-1H-quinoline-3-carbaldehyde","","C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)C=O","ZQEGAPPIYYSYCW-UHFFFAOYSA-N","348143",NA,"PDBC24460","407260","Present"
-"4-Oxo-2-phenyl-6,7,8,9-tetrahydro-4H-benzo[g]chromene-10-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Oxo-2-phenyl-6,7,8,9-tetrahydro-4H-benzo[g]chromene-10-carboxylic acid","","C1CCC2=C(C3=C(C=C2C1)C(=O)C=C(O3)C4=CC=CC=C4)C(=O)O","VUCCSVCKXQGXSM-UHFFFAOYSA-N","364117",NA,"PDBC24461","629786","Present"
-"4-Oxo-3a-phenyl-2,3,3a,4-tetrahydroisoxazolo[2,3-a]indol-2-yl acetate","","","","","","","","","","","","","","","","","","","","4-Oxo-3a-phenyl-2,3,3a,4-tetrahydroisoxazolo[2,3-a]indol-2-yl acetate","","CC(=O)OC1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=CC=C4","OENWUPKAOPGLHR-UHFFFAOYSA-N","374518",NA,"PDBC24462","652269","Present"
-"4-Oxo-4-((2-oxo-3,4-dihydro-2H-chromen-3-yl)amino)-3-((trifluoroacetyl)amino)butanoic acid","","","","","","","","","","","","","","","","","","","","4-Oxo-4-((2-oxo-3,4-dihydro-2H-chromen-3-yl)amino)-3-((trifluoroacetyl)amino)butanoic acid","","C1C(C(=O)OC2=CC=CC=C21)NC(=O)C(CC(=O)O)NC(=O)C(F)(F)F","SCGLMVDHEVZHRE-UHFFFAOYSA-N","381452",NA,"PDBC24463","668040","Present"
-"4-Oxo-4-(1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinolin-6-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","4-Oxo-4-(1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinolin-6-yl)butanoic acid","","COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3C(=O)CCC(=O)O","ODJDZYFHAFWCHK-UHFFFAOYSA-N","374227",NA,"PDBC24464","651717","Present"
-"4-Oxo-4-(1-oxo-2,3-dihydro-1H-inden-2-yl)-N-(3-(trifluoromethyl)phenyl)butanamide","","","","","","","","","","","","","","","","","","","","4-Oxo-4-(1-oxo-2,3-dihydro-1H-inden-2-yl)-N-(3-(trifluoromethyl)phenyl)butanamide","","C1C(C(=O)C2=CC=CC=C21)C(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F","NCGMWBFMTPKKHO-UHFFFAOYSA-N","364937",NA,"PDBC24465","631823","Present"
-"4-Oxo-4-(1H-pyrrol-2-yl)butanoic acid","","","","","","","","","","","","","","","","","","","","Z1982493962","","C1=CNC(=C1)C(=O)CCC(=O)O","IHWFTTRPDRDPCK-UHFFFAOYSA-N","258376",NA,"PDBC24466","87229","Present"
-"4-Oxo-4-(2-thioxo-1,3-thiazolidin-3-yl)-2-butanone","","","","","","","","","","","","","","","","","","","","4-Oxo-4-(2-thioxo-1,3-thiazolidin-3-yl)-2-butanone","","CC(=O)CC(=O)N1CCSC1=S","LRFXCVZNLWLUQU-UHFFFAOYSA-N","378997",NA,"PDBC24467","662765","Present"
-"4-Oxo-4-[[[1,4-dioxo-3-(4-methoxyanilino)-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-({3-[(4-methoxyphenyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}amino)-4-oxobutanoate","","COC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)CCC(=O)OC","GPBLNKHWYKYPDE-UHFFFAOYSA-N","382889",NA,"PDBC24468","670766","Present"
-"4-Oxo-4-[[[1,4-dioxo-3-(benzylamino)-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-{[3-(benzylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}-4-oxobutanoate","","COC(=O)CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3","BARPSRFFOGFQEV-UHFFFAOYSA-N","382887",NA,"PDBC24469","670764","Present"
-"4-Oxo-4-[[[1,4-dioxo-3-anilino-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-{[1,4-dioxo-3-(phenylamino)-1,4-dihydronaphthalen-2-yl]amino}-4-oxobutanoate","","COC(=O)CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=CC=C3","CPMHTAMOMGBBRK-UHFFFAOYSA-N","382885",NA,"PDBC24470","670762","Present"
-"4-Oxo-4-pyren-1-yl-butyric acid","","","","","","","","","","","","","","","","","","","","1-pyrenebutyric acid, .gamma.-oxo- (8ci)","","C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)CCC(=O)O","AAJQTWWVKREOQP-UHFFFAOYSA-N","82011",NA,"PDBC24471","407628","Present"
-"4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid","","C1=CC=C(C=C1)COC2=C3C(=C(C4=CC=CC=C42)O)C(=O)C(=CN3)C(=O)O","CYSNJEHDNBXXPI-UHFFFAOYSA-N","5473267",NA,"PDBC24472","724707","Present"
-"4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester","","CCOC(=O)C1=CNC2=C(C3=CC=CC=C3C(=C2C1=O)O)OCC4=CC=CC=C4","GPVZWXLMQMIPGZ-UHFFFAOYSA-N","5473266",NA,"PDBC24473","724706","Present"
-"4-Oxo-5H-thiopyrano[3,2-b]indole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Thiopyrano[3,2-b]indole-2-carboxylic acid, 4,5-dihydro-4...","","C1=CC=C2C(=C1)C3=C(N2)C(=O)C=C(S3)C(=O)O","LFVBYHSVMFAAIY-UHFFFAOYSA-N","190489",NA,"PDBC24474","623545","Present"
-"4-Oxo-5alpha-androstano[2,3-d]isoxazol-17beta-ol acetate","","","","","","","","","","","","","","","","","","","","4-Oxo-5.alpha.-androstano[2,3-d]isoxazol-17.beta.-ol ace...","","CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC5=C(C4=O)ON=C5)C)C","SKAUQTZOMFSDQC-BHXHJNTASA-N","362462",NA,"PDBC24475","626411","Present"
-"4-Oxo-8-phenylsulfanyl-1H-1,7-naphthyridine-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Oxo-8-phenylsulfanyl-1H-1,7-naphthyridine-3-carboxylic acid","","C1=CC=C(C=C1)SC2=NC=CC3=C2NC=C(C3=O)C(=O)O","CZRXJVSLPIGVQL-UHFFFAOYSA-N","394844",NA,"PDBC24476","698696","Present"
-"4-Oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Thiopyrano[2,3-b]indole-2-carboxylic acid, 4,9-dihydro-4...","","C1=CC=C2C(=C1)C3=C(N2)SC(=CC3=O)C(=O)O","VAGDWNGTSHOBML-UHFFFAOYSA-N","360866",NA,"PDBC24477","623546","Present"
-"4-Oxo-N-(6-(((4-oxo-4H-chromen-2-yl)carbonyl)amino)-2-pyridinyl)-4H-chromene-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-Oxo-N-(6-(((4-oxo-4H-chromen-2-yl)carbonyl)amino)-2-pyridinyl)-4H-chromene-2-carboxamide","","C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=NC(=CC=C3)NC(=O)C4=CC(=O)C5=CC=CC=C5O4","OUUIOHXMIGYVFF-UHFFFAOYSA-N","371859",NA,"PDBC24478","646379","Present"
-"4-Oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide","","C1=CC=C2C(=C1)N3C(=O)C(=CN=C3S2)C(=O)N","QDMCZXWTOWBPEG-UHFFFAOYSA-N","381858",NA,"PDBC24479","669028","Present"
-"4-Penten-1-ol, acetate (ester)","","","","","","","","","","","","","","","","","","","","4-Penten-1-ol, 5-(2-naphthalenyl)-4-nitro-, acetate (est...","","CC(=O)OCCCC(=CC1=CC2=CC=CC=C2C=C1)[N+](=O)[O-]","GRYDOKPJPSODRL-SFQUDFHCSA-N","5380900",NA,"PDBC24480","106859","Present"
-"4-Pentenyl(triphenyl)stannane","","","","","","","","","","","","","","","","","","","","4-Pentenyl(triphenyl)stannane","","C=CCCC[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","JIQQGTQIIZOEEA-UHFFFAOYSA-N","363585",NA,"PDBC24481","628581","Present"
-"4-Pentynoic acid, 2-amino-2-(hydroxymethyl)-","","","","","","","","","","","","","","","","","","","","4-Pentynoic acid, 2-amino-2-(hydroxymethyl)-","","C#CCC(CO)(C(=O)O)N","CNOJJEOCVRNHNE-UHFFFAOYSA-N","364079",NA,"PDBC24482","629718","Present"
-"4-Phenacyl-benzo[b]thieno[17,3,5(10),16-tetraen-3-ol","","","","","","","","","","","","","","","","","","","","4-Phenacyl-benzo[b]thieno[17,16-d]-3-O-methyl-estra-1,3,...","","CC12CCC3C(C1CC4=CC(=C5C(=C24)C=CS5)C(=O)C6=CC=CC=C6)CCC7=C3C=CC(=C7)OC","YWCDVNWRGWUQAX-QKFVYFNMSA-N","45027912",NA,"PDBC24483","740086","Present"
-"4-Phenacyloxychromen-2-one","","","","","","","","","","","","","","","","","","","","4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one","","C1=CC=C(C=C1)C(=O)COC2=CC(=O)OC3=CC=CC=C32","SNHRPWBRXQFXNV-UHFFFAOYSA-N","386272",NA,"PDBC24484","678029","Present"
-"4-Phenoxy-N-(3-((4-phenoxyphenyl)imino)-1-propenyl)aniline","","","","","","","","","","","","","","","","","","","","4-Phenoxy-N-(3-((4-phenoxyphenyl)imino)-1-propenyl)aniline","","C1=CC=C(C=C1)OC2=CC=C(C=C2)NC=CC=NC3=CC=C(C=C3)OC4=CC=CC=C4","RKUPVTUQRHNILN-UUBFXEKFSA-N","5796252",NA,"PDBC24485","676467","Present"
-"4-Phenoxyphenyl cyanate","","","","","","","","","","","","","","","","","","","","4-Phenoxyphenyl cyanate","","C1=CC=C(C=C1)OC2=CC=C(C=C2)OC#N","WZBCKKKVBAKJLM-UHFFFAOYSA-N","371795",NA,"PDBC24486","646239","Present"
-"4-Phenoxyphthalonitrile","","","","","","","","","","","","","","","","","","","","AK-46508","","C1=CC=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N","CRZSSXUMRNESCC-UHFFFAOYSA-N","371800",NA,"PDBC24487","646245","Present"
-"4-Phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline","","","","","","","","","","","","","","","","","","","","4-Phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline","","C1NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4","RDPQKAUEQPUMST-UHFFFAOYSA-N","11975183",NA,"PDBC24488","734790","Present"
-"4-Phenyl-1,2-dihydroimidazo[1,2-a]quinolin-5-ol","","","","","","","","","","","","","","","","","","","","4-Phenyl-2,3-dihydro-1H-imidazo[1,2-a]quinolin-5-one","","C1CN2C3=CC=CC=C3C(=O)C(=C2N1)C4=CC=CC=C4","QQNGVBIHKOHLSX-UHFFFAOYSA-N","395628",NA,"PDBC24489","700412","Present"
-"4-Phenyl-1-(1-phenylcyclohexyl)piperidine-4-carbonitrile","","","","","","","","","","","","","","","","","","","","4-Phenyl-1-(1-phenylcyclohexyl)piperidine-4-carbonitrile","","C1CCC(CC1)(C2=CC=CC=C2)N3CCC(CC3)(C#N)C4=CC=CC=C4","XIIIJAGNKXMNQT-UHFFFAOYSA-N","388484",NA,"PDBC24490","683439","Present"
-"4-Phenyl-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","4-Phenyl-1-thiophen-2-yl-2-thiophen-3-ylbutane-1,4-dione","","C1=CC=C(C=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=CS3","JGIALIGJEMTVJE-UHFFFAOYSA-N","395530",NA,"PDBC24491","700220","Present"
-"4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","F2189-0193","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O","RUPQNAVADOVYKW-UHFFFAOYSA-N","98738",NA,"PDBC24492","163116","Present"
-"4-Phenyl-1-(phenylsulfonyl)azacycloheptane","","","","","","","","","","","","","","","","","","","","4-Phenyl-1-(phenylsulfonyl)azacycloheptane","","C1CC(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3","IAPWLQBJTHMUJZ-UHFFFAOYSA-N","363846",NA,"PDBC24493","629111","Present"
-"4-Phenyl-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone","","","","","","","","","","","","","","","","","","","","4-phenyl-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl...","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=CC=C4","VCPJZPLCQNRARB-OUKQBFOZSA-N","49862043",NA,"PDBC24494","750330","Present"
-"4-Phenyl-2-(2-thienyl)-1-(3-thienyl)-1,4-butanedione","","","","","","","","","","","","","","","","","","","","4-Phenyl-2-thiophen-2-yl-1-thiophen-3-ylbutane-1,4-dione","","C1=CC=C(C=C1)C(=O)CC(C2=CC=CS2)C(=O)C3=CSC=C3","FBUUQQWJACMNKO-UHFFFAOYSA-N","395526",NA,"PDBC24495","700216","Present"
-"4-Phenyl-2-azabicyclo[3.2.1]octan-3-one","","","","","","","","","","","","","","","","","","","","4-Phenyl-2-azabicyclo[3.2.1]octan-3-one","","C1CC2CC1C(C(=O)N2)C3=CC=CC=C3","BUOOGLKBTUCHMT-UHFFFAOYSA-N","362459",NA,"PDBC24496","626406","Present"
-"4-Phenyl-2-butanone 3-thiosemicarbazone","","","","","","","","","","","","","","","","","","","","LS-46864","","CC(=NNC(=S)N)CCC1=CC=CC=C1","WZAXFTMBTLZLKA-UKTHLTGXSA-N","9569904",NA,"PDBC24497","623641","Present"
-"4-Phenyl-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","","","","","","","","","","","","","","","","","","","4-Phenyl-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one","","C1=CC=C(C=C1)C2C3=C(C(=O)C4=CC=CC=C43)NC(=S)N2","TXHPOZJDVVNWEG-UHFFFAOYSA-N","3001709",NA,"PDBC24498","641180","Present"
-"4-Phenyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione","","","","","","","","","","","","","","","","","","","","4-Phenyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione","","C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=C4C(=O)C=COC4=C3","SOXMYYBQFNEUOF-UHFFFAOYSA-N","373050",NA,"PDBC24499","648883","Present"
-"4-Phenyl-5-phenylimino-1,2,4-dithiazolidin-3-one;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC403818","","C1=CC=C(C=C1)N=C2N(C(=O)SS2)C3=CC=CC=C3.Br","LSURXBLJUBSIAB-UHFFFAOYSA-N","24201118",NA,"PDBC24500","403818","Present"
-"4-Phenyl-7-(1-phenylethylidene)-1,2-diazaspiro[4.5]dec-1-en-6-one","","","","","","","","","","","","","","","","","","","","4-Phenyl-7-(1-phenylethylidene)-1,2-diazaspiro[4.5]dec-1-en-6-one","","CC(=C1CCCC2(C1=O)C(CN=N2)C3=CC=CC=C3)C4=CC=CC=C4","PZYROHBPGUQZHB-KNTRCKAVSA-N","3004410",NA,"PDBC24501","650961","Present"
-"4-Phenyl-N-[(4-phenylbenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-Phenyl-N-[(4-phenylbenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide","","C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(CC3=CN=CC=C3)C(=S)N(CC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6","VREFKDILDHQBDL-UHFFFAOYSA-N","401374",NA,"PDBC24502","714686","Present"
-"4-Phenyl-quinolin-2-ol","","","","","","","","","","","","","","","","","","","","NSC656249","","C1=CC=C(C=C1)C2=CC(=O)NC3=CC=CC=C32","QKQNVNSIRYIHDD-UHFFFAOYSA-N","375912",NA,"PDBC24503","656249","Present"
-"4-Phenylazacyclohept-4-ylcarboxylic acid hydrochloride","","","","","","","","","","","","","","","","","","","","4-Phenylazacyclohept-4-ylcarboxylic acid hydrochloride","","C1CC(CCNC1)(C2=CC=CC=C2)C(=O)O.Cl","IJRDKOLRJYIIFI-UHFFFAOYSA-N","366553",NA,"PDBC24504","635175","Present"
-"4-Phenylbutyric acid","","","","","","","","","","","","","","","","","","","","2-Phenylbutyric Acid","","C1=CC=C(C=C1)CCCC(=O)O","OBKXEAXTFZPCHS-UHFFFAOYSA-N","4775",NA,"PDBC24505","295","Present"
-"4-Phenylchalcone","","","","","","","","","","","","","","","","","","","","NSC643135","","C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3","WUPSFOFYQONBKI-DTQAZKPQSA-N","5356388",NA,"PDBC24506","643135","Present"
-"4-Phenylcyclohexanone oxime","","","","","","","","","","","","","","","","","","","","ALBB-016469","","C1CC(=NO)CCC1C2=CC=CC=C2","JTLAHVRPWDIEMU-UHFFFAOYSA-N","343882",NA,"PDBC24507","400452","Present"
-"4-Phenylfuro[3,4-c]quinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","4-Phenylfuro[3,4-c]quinoline-1,3-dione","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=C2C(=O)OC4=O","BGUYBCXMKXMAHV-UHFFFAOYSA-N","370369",NA,"PDBC24508","643434","Present"
-"4-Phenyliminonaphthalen-1-one","","","","","","","","","","","","","","","","","","","","4-Phenyliminonaphthalen-1-one","","C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23","QLVZBXFOEUEIOZ-UHFFFAOYSA-N","344314",NA,"PDBC24509","401166","Present"
-"4-Phenyliodoniobenzoate","","","","","","","","","","","","","","","","","","","","(4-Carboxyphenyl)-phenyl-iodonium","","C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(=O)[O-]","ZHWMVECRPIAUTE-UHFFFAOYSA-N","361633",NA,"PDBC24510","624850","Present"
-"4-Phenylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrimidi ne","","","","","","","","","","","","","","","","","","","","4-Phenylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyri...","","C1=CC=C(C=C1)C=NNC2=C3C=NNC3=NC(=S)N2","XOPPMHUGYDRKII-AWNIVKPZSA-N","135436417",NA,"PDBC24511","723124","Present"
-"4-Phenylsulfanylquinazoline","","","","","","","","","","","","","","","","","","","","REGID_for_CID_242571","","C1=CC=C(C=C1)SC2=NC=NC3=CC=CC=C32","BBMSQSLFLZTVRX-UHFFFAOYSA-N","242571",NA,"PDBC24512","51331","Present"
-"4-Phenyltetrazolo[1,5-a]quinoxaline","","","","","","","","","","","","","","","","","","","","4-Phenyltetrazolo[1,5-a]quinoxaline","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=N4","AOUCPYFCRAWRNU-UHFFFAOYSA-N","399096",NA,"PDBC24513","709512","Present"
-"4-Piperidin-1-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","4-Piperidin-1-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide","","CC(=NNC(=S)N1CCC(CC1)N2CCCCC2)C3=CC=CC=N3","DEMGPWXWROKICX-HMMYKYKNSA-N","5371389",NA,"PDBC24514","363070","Present"
-"4-Piperidineethanamine, dihydrobromide","","","","","","","","","","","","","","","","","","","","4-Piperidineethanamine, 4-nitro-, dihydrobromide","","C1CNCCC1(CCN)[N+](=O)[O-].Br","TYFORIWIAKXDBW-UHFFFAOYSA-N","387095",NA,"PDBC24515","680484","Present"
-"4-Piperidinol, 1-(1H-indol-3-ylmethyl)-4-phenyl-","","","","","","","","","","","","","","","","","","","","4-Piperidinol, 1-(1H-indol-3-ylmethyl)-4-phenyl-","","C1CN(CCC1(C2=CC=CC=C2)O)CC3=CNC4=CC=CC=C43","GJYKNFULPQZKCI-UHFFFAOYSA-N","401020",NA,"PDBC24516","713725","Present"
-"4-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl-","","","","","","","","","","","","","","","","","","","","TEMPOL","","CC1(CC(CC(N1O)(C)C)O)C","CSGAUKGQUCHWDP-UHFFFAOYSA-N","5395",NA,"PDBC24517","142784","Present"
-"4-Piperidinomethyl-2-isopropyl-5-methylphenol","","","","","","","","","","","","","","","","","","","","4-Piperidinomethyl-2-isopropyl-5-methylphenol","","CC1=CC(=C(C=C1CN2CCCCC2)C(C)C)O","YJLSEOKLMNCBLJ-UHFFFAOYSA-N","223285",NA,"PDBC24518","10776","Present"
-"4-Piperidinone, 3,5-bis[(2-fluorophenyl)methylene]-, acetate, (3E,5E)-","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-bis[(2-fluorophenyl)methylene]-, ace...///NSC762346","","C1C(=CC2=CC=CC=C2F)C(=O)C(=CC3=CC=CC=C3F)CN1","NIVYQYSNRUIFIF-KAVGSWPWSA-N","9885748",NA,"PDBC24519","716993///762346","Present"
-"4-Piperidinone,5-bis(phenylmethylene)-, monohydrochloride","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 1-[3-(4-morpholinyl)-1-oxopropyl]- 3,5-b...","","C1COCCN1CCC(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2.Cl","XCRLGDJRMWKQNV-WKTUUNTHSA-N","5388500",NA,"PDBC24520","636676","Present"
-"4-Piperidinone,5-bis(phenylmethylene)-1-[3-(1-piperidinyl)-1-oxopropyl]-, monohydrochloride","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-bis(phenylmethylene)-1-[3-(1- piperi...","","C1CCN(CC1)CCC(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2.Cl","RMKOHGCJFBATKK-GLGOHQGWSA-N","45281161",NA,"PDBC24521","634786","Present"
-"4-Piperidinone,5-bis-(phenylmethylene)-, monohydrochloride","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 1-[3-(diethylamino)-1-oxopropyl]-3,5-bis...","","CCN(CC)CCC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1.Cl","DFOUTCPHUYDKSD-MGDDWPMISA-N","45281160",NA,"PDBC24522","634785","Present"
-"4-Piperidinone,5-bis[[(4-methylthio)phenyl]methylene]-, hydrochloride","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 3,5-bis[[(4-methylthio)phenyl]methylene]...","","CSC1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)SC)C2=O.Cl","KTDXEYZBMZLKEB-OYJDLGDISA-N","5386952",NA,"PDBC24523","618857","Present"
-"4-Piperidinone,6-bis[(2-nitrophenyl)methylene]-","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 1-methyl-2,6-bis[(2-nitrophenyl)methylene]-","","CN1CC(=CC2=CC=CC=C2[N+](=O)[O-])C(=O)C(=CC3=CC=CC=C3[N+](=O)[O-])C1","BHUSMMHAJOOVIE-OTYYAQKOSA-N","5468197",NA,"PDBC24524","673650","Present"
-"4-Piperidinopyrazolo[3,4-d]pyrimidin-6-thion","","","","","","","","","","","","","","","","","","","","4-Piperidinopyrazolo[3,4-d]pyrimidin-6-thion","","C1CCN(CC1)C2=NC(=S)NC3=C2C=NN3","BOOXRPKWYUWMCD-UHFFFAOYSA-N","135436397",NA,"PDBC24525","722946","Present"
-"4-Prop-2-enyl-3-[4-[2-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-Prop-2-enyl-3-[4-[2-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione","","C=CCN1C(=NNC1=S)C2=CC=C(C=C2)NN=NC3=CC=C(C=C3)C4=NNC(=S)N4CC=C","ALBGXRVJWNBOHY-UHFFFAOYSA-N","5472011",NA,"PDBC24526","715976","Present"
-"4-Propyl-7,8-dichloro-1,2,5,6-tetrahydrobenzo[f]quinolin-3(4H)-one","","","","","","","","","","","","","","","","","","","","4-Propyl-7,8-dichloro-1,2,5,6-tetrahydrobenzo[f]quinolin-3(4H)-one","","CCCN1C2=C(CCC1=O)C3=C(CC2)C(=C(C=C3)Cl)Cl","CHOIHZUDNBGIBC-UHFFFAOYSA-N","402674",NA,"PDBC24527","716860","Present"
-"4-Propyl-N-(3,4,5-trimethoxybenzylidene)aniline","","","","","","","","","","","","","","","","","","","","4-n-Propyl-N-(3,4,5-trimethoxybenzylene)aniline","","CCCC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","QSIMKGFSGDCQSI-UHFFFAOYSA-N","373811",NA,"PDBC24528","650774","Present"
-"4-Pyrazoleacetonitrile, 3-methyl-5-(2-nitrophenyl)-1-phenyl-","","","","","","","","","","","","","","","","","","","","4-Pyrazoleacetonitrile, 3-methyl-5-(2-nitrophenyl)-1-phe...","","CC1=NN(C(=C1CC#N)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3","YXTDGTJQEODCGX-UHFFFAOYSA-N","360920",NA,"PDBC24529","623634","Present"
-"4-Pyridazinealanine","","","","","","","","","","","","","","","","","","","","4-Pyridazinealanine","","C1=CN=NC=C1CC(C(=O)O)N","IOIQFYKCCUDSQT-UHFFFAOYSA-N","258953",NA,"PDBC24530","88416","Present"
-"4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-","","","","","","","","","","","","","","","","","","","","4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-di...","","C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCO)C#N)Cl","XYKMDIKOEHWYBP-UHFFFAOYSA-N","100710",NA,"PDBC24531","351478","Present"
-"4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-","","","","","","","","","","","","","","","","","","","","4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-di...","","C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)F)CCO)C#N)F","ZTJLBJCCZJQZSD-UHFFFAOYSA-N","100761",NA,"PDBC24532","362454","Present"
-"4-Pyridin-2-yl-N-[1-(1,3-thiazol-2-yl)ethylideneamino]piperazine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2- t...","","CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=NC=CS3","YEZYPWUWHPJFLE-LDADJPATSA-N","5464851",NA,"PDBC24533","354671","Present"
-"4-Pyridin-3-yl-2-(2,3,5-trichlorophenyl)-1,3-thiazole","","","","","","","","","","","","","","","","","","","","4-Pyridin-3-yl-2-(2,3,5-trichlorophenyl)-1,3-thiazole","","C1=CC(=CN=C1)C2=CSC(=N2)C3=C(C(=CC(=C3)Cl)Cl)Cl","LFISOAAWJLTVQZ-UHFFFAOYSA-N","24814783",NA,"PDBC24534","742842","Present"
-"4-Pyridinebutanamide, N-(4-bromo-2,6-dimethylphenyl)-beta-(1,3-dihydro-3-oxo-1-isobenzofuranyl)-alpha,gamma-dioxo-","","","","","","","","","","","","","","","","","","","","N-(4-Bromo-2,6-dimethylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide","","CC1=CC(=CC(=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=NC=C4)C)Br","KEKSCVKSYWXSLJ-UHFFFAOYSA-N","370986",NA,"PDBC24535","644792","Present"
-"4-Pyridinecarbohydrazonic acid, N-[(1E)-(3,4-dichlorophenyl)methylene]-, methyl ester","","","","","","","","","","","","","","","","","","","","4-Pyridinecarbohydrazonic acid, N-[(1E)-(3,4-dichlorophenyl)methylene]-, methyl ester","","COC(=NN=CC1=CC(=C(C=C1)Cl)Cl)C2=CC=NC=C2","XCNVQBYFDVXDCR-UPVQPNEJSA-N","9555925",NA,"PDBC24536","655512","Present"
-"4-Pyridinecarbohydrazonic acid, N-[(1E)-[3-(trifluoromethyl)phenyl]methylene]-, methyl ester","","","","","","","","","","","","","","","","","","","","4-Pyridinecarbohydrazonic acid, N-[(1E)-[3-(trifluoromethyl)phenyl]methylene]-, methyl ester","","COC(=NN=CC1=CC(=CC=C1)C(F)(F)F)C2=CC=NC=C2","YONVHTJZFTZPJS-XAMHROORSA-N","9555922",NA,"PDBC24537","655509","Present"
-"4-Pyridinecarboxamide, N-[(2S,5R)-2-(2,4-dichlorophenyl)-5-methyl-4-oxo-3-thiazolidinyl]-","","","","","","","","","","","","","","","","","","","","4-Pyridinecarboxamide, N-[(2S,5R)-2-(2,4-dichlorophenyl)-5-methyl-4-oxo-3-thiazolidinyl]-","","CC1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3","OUFBVXRHAXPBPF-ABKXIKBNSA-N","383380",NA,"PDBC24538","671550","Present"
-"4-Pyridinecarboxamide, N-[(4Z)-4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-4,5-dihydro-5-oxo-2-phenyl-1H-imidazol-1-yl]-","","","","","","","","","","","","","","","","","","","","N-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]pyridine-4-carboxamide","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2NC(=O)C4=CC=NC=C4","OGEIJDNTSQNVFB-QQTULTPQSA-N","5469995",NA,"PDBC24539","695307","Present"
-"4-Pyridinecarboxamide, N-[2-(2-furanyl)-4-oxo-3-thiazolidinyl]-","","","","","","","","","","","","","","","","","","","","4-Pyridinecarboxamide, N-[2-(2-furanyl)-4-oxo-3-thiazolidinyl]-","","C1C(=O)N(C(S1)C2=CC=CO2)NC(=O)C3=CC=NC=C3","SKHFXZQAMFJTEE-UHFFFAOYSA-N","391297",NA,"PDBC24540","690251","Present"
-"4-Pyridinecarboxamide, N-[2-(5-methyl-2-thienyl)-4-oxo-3-thiazolidinyl]-","","","","","","","","","","","","","","","","","","","","4-Pyridinecarboxamide, N-[2-(5-methyl-2-thienyl)-4-oxo-3-thiazolidinyl]-","","CC1=CC=C(S1)C2N(C(=O)CS2)NC(=O)C3=CC=NC=C3","RSLSYAZBMPEIRJ-UHFFFAOYSA-N","391296",NA,"PDBC24541","690250","Present"
-"4-Pyridinecarboxylic acid, 2-[4-[(2-methoxyphenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-(2-Methoxyanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","COC1=CC=CC=C1NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","NKODLHHDQTXNGX-UHFFFAOYSA-N","378406",NA,"PDBC24542","660824","Present"
-"4-Pyridinecarboxylic acid, 2-[4-[(3-chlorophenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-(3-Chloroanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","C1=CC=C(C=C1)CC(=O)NNC2=NC(=NC(=N2)NC3=CC(=CC=C3)Cl)NNC(=O)C4=CC=NC=C4","VODJAOJWUCUKJP-UHFFFAOYSA-N","378407",NA,"PDBC24543","660825","Present"
-"4-Pyridinecarboxylic acid, 2-[4-[(3-methoxyphenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-(3-Methoxyanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","COC1=CC=CC(=C1)NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","LBWGASZKGJMWGN-UHFFFAOYSA-N","378409",NA,"PDBC24544","660827","Present"
-"4-Pyridinecarboxylic acid, 2-[4-[(3-methylphenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-(3-Methylanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","CC1=CC(=CC=C1)NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","LGUDUWUZMNVVLK-UHFFFAOYSA-N","378408",NA,"PDBC24545","660826","Present"
-"4-Pyridinecarboxylic acid, 2-[4-[(4-chlorophenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-(4-Chloroanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","C1=CC=C(C=C1)CC(=O)NNC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)NNC(=O)C4=CC=NC=C4","GIYAZSFLLRCLQY-UHFFFAOYSA-N","378410",NA,"PDBC24546","660828","Present"
-"4-Pyridinecarboxylic acid, 2-[4-[(4-methylphenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-(4-Methylanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","CC1=CC=C(C=C1)NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","ZEZUJBJARBIJTL-UHFFFAOYSA-N","378411",NA,"PDBC24547","660829","Present"
-"4-Pyridinecarboxylic acid, 2-[4-[2-(2-phenylacetyl)hydrazino]-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-Anilino-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","C1=CC=C(C=C1)CC(=O)NNC2=NC(=NC(=N2)NC3=CC=CC=C3)NNC(=O)C4=CC=NC=C4","XVHFFSYZCPZUIZ-UHFFFAOYSA-N","378404",NA,"PDBC24548","660822","Present"
-"4-Pyrimidinebutanamide, 6-amino-5-(1H-benzimidazol-2-yl)-2-(cyanoamino)-1,6-dihydro-N-(3-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","4-[4-Amino-5-(1H-benzimidazol-2-yl)-2-(cyanoamino)-1,4-dihydropyrimidin-6-yl]-N-(3-nitrophenyl)butanamide","","C1=CC=C2C(=C1)NC(=N2)C3=C(NC(=NC3N)NC#N)CCCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]","LENAIKAXGUSZFD-UHFFFAOYSA-N","364856",NA,"PDBC24549","631669","Present"
-"4-Pyrimidinecarboxamide, 2,6-diamino-5-(2-methylphenyl)-N-2-thiazolyl-","","","","","","","","","","","","","","","","","","","","4-Pyrimidinecarboxamide, 2,6-diamino-5-(2-methylphenyl)-N-2-thiazolyl-","","CC1=CC=CC=C1C2=C(N=C(N=C2N)N)C(=O)NC3=NC=CS3","IHNSXFYYUFOAKA-UHFFFAOYSA-N","364268",NA,"PDBC24550","630285","Present"
-"4-Pyrimidinecarboxamide, 2,6-diamino-5-phenyl-N-2-thiazolyl-","","","","","","","","","","","","","","","","","","","","4-Pyrimidinecarboxamide, 2,6-diamino-5-phenyl-N-2-thiazolyl-","","C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)C(=O)NC3=NC=CS3","XGDBVYPSZGYLPA-UHFFFAOYSA-N","364930",NA,"PDBC24551","631816","Present"
-"4-Pyrimidinecarboxamide, 2,6-diamino-N,5-diphenyl-","","","","","","","","","","","","","","","","","","","","4-Pyrimidinecarboxamide, 2,6-diamino-N,5-diphenyl-","","C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)C(=O)NC3=CC=CC=C3","QFOJQYLZDXTHIW-UHFFFAOYSA-N","361438",NA,"PDBC24552","624460","Present"
-"4-Pyrimidinecarboxamide, 2,6-diamino-N-(3,4-dichlorophenyl)-5-phenyl-","","","","","","","","","","","","","","","","","","","","4-Pyrimidinecarboxamide, 2,6-diamino-N-(3,4-dichlorophenyl)-5-phenyl-","","C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)C(=O)NC3=CC(=C(C=C3)Cl)Cl","NOMNZYQWBUDZJI-UHFFFAOYSA-N","364949",NA,"PDBC24553","631835","Present"
-"4-Pyrimidinecarboxamide, 6-amino-2-(cyanoamino)-5-(2-methylphenyl)-N-phenyl-","","","","","","","","","","","","","","","","","","","","4-Pyrimidinecarboxamide, 6-amino-2-(cyanoamino)-5-(2-methylphenyl)-N-phenyl-","","CC1=CC=CC=C1C2=C(N=C(N=C2N)NC#N)C(=O)NC3=CC=CC=C3","OSFHJQBTXLODHV-UHFFFAOYSA-N","360302",NA,"PDBC24554","622337","Present"
-"4-Pyrimidinecarboxamide, 6-amino-5-(4-chlorophenyl)-2-(cyanoamino)-N-2-thiazolyl-","","","","","","","","","","","","","","","","","","","","4-Pyrimidinecarboxamide, 6-amino-5-(4-chlorophenyl)-2-(cyanoamino)-N-2-thiazolyl-","","C1=CC(=CC=C1C2=C(N=C(N=C2N)NC#N)C(=O)NC3=NC=CS3)Cl","CBPNTXMUDXZEQD-UHFFFAOYSA-N","364946",NA,"PDBC24555","631832","Present"
-"4-Pyrimidinecarboxylic acid, 2-amino-5-(4-chlorophenyl)-6-hydroxy-, methyl ester","","","","","","","","","","","","","","","","","","","","4-Pyrimidinecarboxylic acid, 2-amino-5-(4-chlorophenyl)-6-hydroxy-, methyl ester","","COC(=O)C1=C(C(=O)NC(=N1)N)C2=CC=C(C=C2)Cl","ZHUJLELWTXQIOW-UHFFFAOYSA-N","135499579",NA,"PDBC24556","635139","Present"
-"4-Pyrimidinecarboxylic acid, 5-hexadecyl-2-hydrazino-6-hydroxy-, methyl ester","","","","","","","","","","","","","","","","","","","","4-Pyrimidinecarboxylic acid, 5-hexadecyl-2-hydrazino-6-hydroxy-, methyl ester","","CCCCCCCCCCCCCCCCC1=C(N=C(NC1=O)NN)C(=O)OC","FHPQPNHZJPOIBF-UHFFFAOYSA-N","135454648",NA,"PDBC24557","635135","Present"
-"4-Pyrimidinepropanamide, 2,6-diamino-N-(3,4-dimethylphenyl)-5-phenyl-","","","","","","","","","","","","","","","","","","","","4-Pyrimidinepropanamide, 2,6-diamino-N-(3,4-dimethylphenyl)-5-phenyl-","","CC1=C(C=C(C=C1)NC(=O)CCC2=C(C(=NC(=N2)N)N)C3=CC=CC=C3)C","JJQYQARPYTWDPS-UHFFFAOYSA-N","362288",NA,"PDBC24558","625899","Present"
-"4-Pyrimidinepropanamide, 2,6-diamino-N-(4-chlorophenyl)-5-phenyl-","","","","","","","","","","","","","","","","","","","","4-Pyrimidinepropanamide, 2,6-diamino-N-(4-chlorophenyl)-5-phenyl-","","C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)CCC(=O)NC3=CC=C(C=C3)Cl","MDUQLWNJNVLIGH-UHFFFAOYSA-N","362298",NA,"PDBC24559","625909","Present"
-"4-Pyrimidinepropanamide, 6-amino-2-(cyanoamino)-5-(4-methylphenyl)-N-(2-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","4-Pyrimidinepropanamide, 6-amino-2-(cyanoamino)-5-(4-methylphenyl)-N-(2-nitrophenyl)-","","CC1=CC=C(C=C1)C2=C(N=C(N=C2N)NC#N)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]","VAEYJLPYMGDPCS-UHFFFAOYSA-N","360338",NA,"PDBC24560","622387","Present"
-"4-Pyrrolidin-1-yl-2-[(1E,3E)-4-pyrrolidin-1-ylbuta-1,3-dienyl]quinazoline","","","","","","","","","","","","","","","","","","","","4-Pyrrolidin-1-yl-2-[(1E,3E)-4-pyrrolidin-1-ylbuta-1,3-dienyl]quinazoline","","C1CCN(C1)C=CC=CC2=NC3=CC=CC=C3C(=N2)N4CCCC4","NWASADKCGNUUNY-HMMKTVFPSA-N","5467021",NA,"PDBC24561","646856","Present"
-"4-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-","","","","","","","","","","","","","","","","","","","","4-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-","","C1CCN(C1)N=NC2=CC=CC=C2C3=NC4=CC=CC=C4C(=N3)N","MPVUVXGYWCUFOB-UHFFFAOYSA-N","424332",NA,"PDBC24562","163424","Present"
-"4-Quinolinamine, dihydrochloride","","","","","","","","","","","","","","","","","","","","Quinoline, 4-[.alpha.-[bis(2-chloroethyl)amino]-4-methox...","","COC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CN(CCCl)CCCl.Cl","FGMBYMQIZGQOSC-UHFFFAOYSA-N","24183684",NA,"PDBC24563","29459","Present"
-"4-Quinolinecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","4-Quinolinecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone","","C1=CC=C2C(=C1)C(=CC=N2)C=NNC3=C(C=CC(=C3)Cl)[N+](=O)[O-]","XWSPKXFJSNKKCV-VXLYETTFSA-N","9571415",NA,"PDBC24564","658005","Present"
-"4-Quinolinecarbaldehyde methyl(2,4,6-tris(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","N-Methyl-2,4,6-trinitro-N-[(E)-4-quinolylmethyleneamino]aniline","","CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=NC3=CC=CC=C23","MKANMEGRRDWBDN-VXLYETTFSA-N","9555806",NA,"PDBC24565","630682","Present"
-"4-Quinolinecarboxylic acid, 2-(4-cyclohexylphenyl)-6-fluoro-3-methyl-","","","","","","","","","","","","","","","","","","","","4-Quinolinecarboxylic acid, 2-(4-cyclohexylphenyl)-6-flu...","","CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4CCCCC4)C(=O)O","GBGDJTGJJQHTCJ-UHFFFAOYSA-N","5167181",NA,"PDBC24566","339768","Present"
-"4-Quinolinone,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-","","","","","","","","","","","","","","","","","","","","4-Quinolinone, 6-bromo-1,2,3,4-tetrahydro-1-[(4-methylph...","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C3=C2C=CC(=C3)Br","PGQCMPBSCIJTMB-UHFFFAOYSA-N","395752",NA,"PDBC24567","700552","Present"
-"4-Sec-butyl-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","","","","","","","","","","","","","","","","","4-Sec-butyl-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","",NA,"PDBC24568","658194","Present"
-"4-Selenazolecarboxamide, 2-beta-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","4-Selenazolecarboxamide, 2-.beta.-D-ribofuranosyl-","","C1=C(N=C([Se]1)C2C(C(C(O2)CO)O)O)C(=O)N","CKMBACZHCFMPLQ-UHFFFAOYSA-N","334706",NA,"PDBC24569","340847","Present"
-"4-Tert-Butyl-1-phenyl-cyclohexanol","","","","","","","","","","","","","","","","","","","","4-Tert-Butyl-1-phenyl-cyclohexanol","","CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)O.CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)O","MWEHKQXZMOTZHW-UHFFFAOYSA-N","357449",NA,"PDBC24570","616273","Present"
-"4-Tert-Butyl-1-phenylphosphinane 1-oxide","","","","","","","","","","","","","","","","","","","","4-Tert-Butyl-1-phenylphosphinane 1-oxide","","CC(C)(C)C1CCP(=O)(CC1)C2=CC=CC=C2","GJQJOUVXPNFRTE-UHFFFAOYSA-N","357422",NA,"PDBC24571","616252","Present"
-"4-Tert-Butyl-2-(hydroxy(2-pyridinyl)methyl)phenol","","","","","","","","","","","","","","","","","","","","4-Tert-Butyl-2-(hydroxy(2-pyridinyl)methyl)phenol","","CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CC=CC=N2)O","KYDMSJACVKSRNS-UHFFFAOYSA-N","385585",NA,"PDBC24572","676882","Present"
-"4-Tert-Butyl-2-(hydroxy(3-pyridinyl)methyl)phenol","","","","","","","","","","","","","","","","","","","","4-Tert-Butyl-2-(hydroxy(3-pyridinyl)methyl)phenol","","CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CN=CC=C2)O","DWKKJECJDAEXFY-UHFFFAOYSA-N","385586",NA,"PDBC24573","676883","Present"
-"4-Tert-Butyl-2-(hydroxy(4-pyridinyl)methyl)phenol","","","","","","","","","","","","","","","","","","","","4-Tert-Butyl-2-(hydroxy(4-pyridinyl)methyl)phenol","","CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CC=NC=C2)O","UPXHKAVJROXSCZ-UHFFFAOYSA-N","385587",NA,"PDBC24574","676884","Present"
-"4-Tert-Butylcalix[8]arene","","","","","","","","","","","","","","","","","","","","ABP001036","","CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=CC(=CC(=C6O)CC7=C(C(=CC(=C7)C(C)(C)C)CC8=C(C(=CC(=C8)C(C)(C)C)CC9=C(C(=CC(=C9)C(C)(C)C)C2)O)O)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O","OLZFZIXORGGLLS-UHFFFAOYSA-N","434172",NA,"PDBC24575","344028","Present"
-"4-Tert-butyl-1-(11,12-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,12-hexaen-10-yl)-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-tert-butyl-1-[?]yl-1,2,4-triazolidine-3,5-dione","","CC(C)(C)N1C(=O)NN(C1=O)C2C3=CC=CC4=C3C(=CC=C4)C=NN2","IFKHBTYTLLZHPJ-UHFFFAOYSA-N","391918",NA,"PDBC24576","691598","Present"
-"4-Tert-butyl-1-[(4-tert-butylpyridin-1-ium-1-yl)methyl]pyridin-1-ium;iodide","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-1-[(4-tert-butylpyridin-1-ium-1-yl)methyl]pyridin-1-ium;iodide","","CC(C)(C)C1=CC=[N+](C=C1)C[N+]2=CC=C(C=C2)C(C)(C)C.[I-]","XYNUQWWYGCRJDM-UHFFFAOYSA-M","358070",NA,"PDBC24577","617849","Present"
-"4-Tert-butyl-1-ethenylcyclohexane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-1-ethenylcyclohexane-1-carboxylic acid","","CC(C)(C)C1CCC(CC1)(C=C)C(=O)O","BYFDBTNMLMXIMU-UHFFFAOYSA-N","358273",NA,"PDBC24578","618217","Present"
-"4-Tert-butyl-1-methylpiperidin-4-ol;oxalic acid","","","","","","","","","","","","","","","","","","","","NSC683442","","CC(C)(C)C1(CCN(CC1)C)O.C(=O)(C(=O)O)O","KIARTYMALAQNCH-UHFFFAOYSA-N","388488",NA,"PDBC24579","683442","Present"
-"4-Tert-butyl-1-phenylcyclohexanol","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-1-phenylcyclohexanol","","CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)O","ZNRSAQUSEPSLQP-UHFFFAOYSA-N","357428",NA,"PDBC24580","616258","Present"
-"4-Tert-butyl-2,6-bis((dimethylamino)methyl)phenol","","","","","","","","","","","","","","","","","","","","NSC48477","","CC(C)(C)C1=CC(=C(C(=C1)CN(C)C)O)CN(C)C","HFYDSFHQXIJOCT-UHFFFAOYSA-N","223214",NA,"PDBC24581","48477","Present"
-"4-Tert-butyl-2,6-bis(trimethylsilyl)benzonitrile","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-2,6-bis(trimethylsilyl)benzonitrile","","CC(C)(C)C1=CC(=C(C(=C1)[Si](C)(C)C)C#N)[Si](C)(C)C","UPIWPBFROKYUFP-UHFFFAOYSA-N","357624",NA,"PDBC24582","617148","Present"
-"4-Tert-butyl-2,6-bis[(hexylamino)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-2,6-bis[(hexylamino)methyl]phenol","","CCCCCCNCC1=CC(=CC(=C1O)CNCCCCCC)C(C)(C)C","GPRWMHCAGDWJTM-UHFFFAOYSA-N","240960",NA,"PDBC24583","47943","Present"
-"4-Tert-butyl-2,6-bis{[(2,4,4-trimethylpentan-2-yl)amino]methyl}phenol","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-2,6-bis{[(2,4,4-trimethylpentan-2-yl)amino]methyl}phenol","","CC(C)(C)CC(C)(C)NCC1=CC(=CC(=C1O)CNC(C)(C)CC(C)(C)C)C(C)(C)C","OCGKRRNLIFTSSS-UHFFFAOYSA-N","241254",NA,"PDBC24584","48492","Present"
-"4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol","","","","","","","","","","","","","","","","","","","","2,2'-[(Phenylimino)dimethanediyl]bis(4-tert-butylphenol)","","CC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC(=C2)C(C)(C)C)O)C3=CC=CC=C3","PNAKTKQCGUAXKF-UHFFFAOYSA-N","241399",NA,"PDBC24585","48708","Present"
-"4-Tert-butyl-2-((cyclohexylamino)methyl)-6-methylphenol","","","","","","","","","","","","","","","","","","","","4-tert-butyl-2-((cyclohexylamino)methyl)-6-methylphenol","","CC1=CC(=CC(=C1O)CNC2CCCCC2)C(C)(C)C","DVMJYVSFWOSELO-UHFFFAOYSA-N","241059",NA,"PDBC24586","48160","Present"
-"4-Tert-butyl-2-[(5-tert-butyl-2-hydroxy-phenyl)-(4-nitrophenyl)methyl]phenol","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-2-[(5-tert-butyl-2-hydroxy-phenyl)-(4-nitrophenyl)methyl]phenol","","CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=CC(=C3)C(C)(C)C)O","TXLFKLPZKULTBI-UHFFFAOYSA-N","389723",NA,"PDBC24587","686315","Present"
-"4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)phenol;phosphoric acid","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)phenol;phosphoric acid","","CC(C)(C)C1=CC(=C(C(=C1)C2=CC=C(C=C2)Cl)O)CNC(C)(C)C.OP(=O)(O)O","QQJCAFIVIDWAOD-UHFFFAOYSA-N","328156",NA,"PDBC24588","305827","Present"
-"4-Tert-butyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-2-carbonyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-2-carbonyl]amino]benzoic acid","","CC(C1=CC=CC=C1)NC(=O)NC2=CC=CC(=N2)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)C(=O)O","OGNMPKCAKAXDMS-MRXNPFEDSA-N","393234",NA,"PDBC24589","694861","Present"
-"4-Tert-butyl-2-cyclohexyl-6-[(dimethylamino)methyl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-2-cyclohexyl-6-[(dimethylamino)methyl]phenol;hydrochloride","","CC(C)(C)C1=CC(=C(C(=C1)C2CCCCC2)O)CN(C)C.Cl","CWUYYTWRNOSHLE-UHFFFAOYSA-N","24192538",NA,"PDBC24590","141103","Present"
-"4-Tert-butyl-3-(tert-butylamino)-1,2,4-oxadiazol-5-one","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-3-(tert-butylamino)-1,2,4-oxadiazol-5-one","","CC(C)(C)NC1=NOC(=O)N1C(C)(C)C","POYOOYIPXBXFSD-UHFFFAOYSA-N","390091",NA,"PDBC24591","687034","Present"
-"4-Tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene-2,5-cyclohexadiene-1,1-dicarbonitrile","","","","","","","","","","","","","","","","","","","","4-Tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene-2,5-cyclohexadiene-1,1-dicarbonitrile","","C1CC2COC(=C3C=CC(C=C3)(C#N)C#N)N2C1","DRFRNKRZIJVYAZ-UHFFFAOYSA-N","363745",NA,"PDBC24592","628936","Present"
-"4-Theinylmethylidenhydrazino-6-thioxopyrazolo[3,4-d]pyrimidi ne","","","","","","","","","","","","","","","","","","","","4-Theinylmethylidenhydrazino-6-thioxopyrazolo[3,4-d]pyri...","","CCOC(=O)C.C1=CSC(=C1)C=NNC2=NC(=S)NC3=C2C=NN3","HFDBOTYQOJCRRX-SODSUQDMSA-N","135436412",NA,"PDBC24593","723121","Present"
-"4-Thiazolamine, 5-[(1H-indol-3-yl)carbonyl]-2-[(4-methoxyphenyl)amino]-","","","","","","","","","","","","","","","","","","","","Methanone, [4-amino-2-[(4-methoxyphenyl)amino]-5-thiazol...","","COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CNC4=CC=CC=C43)N","YZMDVWIQRJRQRE-UHFFFAOYSA-N","399018",NA,"PDBC24594","709439","Present"
-"4-Thiazolecarboxylic acid, 5-[(4-methoxybenzoyl)amino]-2-(methylthio)-, ethyl ester","","","","","","","","","","","","","","","","","","","","4-Thiazolecarboxylic acid, 5-[(4-methoxybenzoyl)amino]-2-(methylthio)-, ethyl ester","","CCOC(=O)C1=C(SC(=N1)SC)NC(=O)C2=CC=C(C=C2)OC","PGZFOBXINYQNEF-UHFFFAOYSA-N","382375",NA,"PDBC24595","669933","Present"
-"4-Thiazolidinecarboxamide, 3-acetyl-N-(4-morpholinyl)-2-phenyl-","","","","","","","","","","","","","","","","","","","","4-Thiazolidinecarboxamide, 3-acetyl-N-(4-morpholinyl)-2-phenyl-","","CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NN3CCOCC3","QPMAXKRIAUACDA-UHFFFAOYSA-N","381981",NA,"PDBC24596","669301","Present"
-"4-Thiazolidinone, 2-(4-nitrophenyl)-3-[4-(5,6,7,8-tetrahydro-2-naphthalenyl)-2-thiazolyl]-","","","","","","","","","","","","","","","","","","","","2-(4-nitrophenyl)-3-(4-(5,6,7,8-tetrahydronaphthalen-2-y...","","C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=C(C=C5)[N+](=O)[O-]","HTXSNCDQUOKHEB-UHFFFAOYSA-N","386926",NA,"PDBC24597","680089","Present"
-"4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-","","","","","","","","","","","","","","","","","","","","4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-","","CC(C1=CC=CC=C1)N2C(=O)CSC2=S","KQSHNYSKESUNOZ-UHFFFAOYSA-N","99773",NA,"PDBC24598","209926","Present"
-"4-Thiazolidinone, 3-(2-furanyl)-2-thioxo-","","","","","","","","","","","","","","","","","","","","4-Thiazolidinone, 3-(2-furanyl)-2-thioxo-","","C1C(=O)N(C(=S)S1)C2=CC=CO2","OUDCIOTVDQZWOP-UHFFFAOYSA-N","289102",NA,"PDBC24599","150551","Present"
-"4-Thiazolidinone, 3-[4-(4-chlorophenyl)[2,4'-bithiazol]-2'-yl]-2-(4-methoxyphenyl)-5-methyl-","","","","","","","","","","","","","","","","","","","","3-[4-[4-(4-Chlorophenyl)thiazol-2-yl]thiazol-2-yl]-2-(4-methoxyphenyl)-5-methyl-thiazolidin-4-one","","CC1C(=O)N(C(S1)C2=CC=C(C=C2)OC)C3=NC(=CS3)C4=NC(=CS4)C5=CC=C(C=C5)Cl","WUEONROHVDUEIL-UHFFFAOYSA-N","376253",NA,"PDBC24600","656961","Present"
-"4-Thiazolidinone,4,5-trimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","4-Thiazolidinone, 3-(4-chlorophenyl)-2-(3,4,5-trimethoxy...","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=C(C=C3)Cl","RRALBUQSJRAPDV-UHFFFAOYSA-N","396385",NA,"PDBC24601","702338","Present"
-"4-Thienylidenamino-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol","","","","","","","","","","","","","","","","","","","","4-Thienylidenamino-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol","","CN1C2=NC(=S)NC(=C2C=N1)N=CC3=CC=CS3","FJWKBSBKQJLICI-LFYBBSHMSA-N","135436399",NA,"PDBC24602","722949","Present"
-"4-Thiocyanato-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Thiocyanato-benzenesulfonamide","","C1=CC(=CC=C1SC#N)S(=O)(=O)N","JAOXYZVWRQDPGB-UHFFFAOYSA-N","296284",NA,"PDBC24603","166291","Present"
-"4-Thioureido-5,6-dichlorobenzene-1,3-disulfonamide","","","","","","","","","","","","","","","","","","","","4-Thioureido-5,6-dichlorobenzene-1,3-disulfonamide","","C1=C(C(=C(C(=C1S(=O)(=O)N)Cl)Cl)NC(=S)N)S(=O)(=O)N","PERGVKZLZFGENF-UHFFFAOYSA-N","5470533",NA,"PDBC24604","702691","Present"
-"4-Thioxo-1,7-bis(triphenylphosphoranylidene)-2,6-heptanedione","","","","","","","","","","","","","","","","","","","","4-Thioxo-1,7-bis(triphenylphosphoranylidene)-2,6-heptanedione","","C1=CC=C(C=C1)P(=CC(=O)CC(=S)CC(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","VFLIHDCDLMSQQU-UHFFFAOYSA-N","361857",NA,"PDBC24605","625178","Present"
-"4-Trifluoromethyl-benzoic acid N-[1-biphenyl-4-sulfonyl)-piperidine-4-carbonyl]-hydrazide","","","","","","","","","","","","","","","","","","","","4-Trifluoromethyl-benzoic acid N-[1-biphenyl-4-sulfonyl)...","","C1CN(CCC1C(=O)NNC(=O)C2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4","VQMRNRSNLOCULG-UHFFFAOYSA-N","24204399",NA,"PDBC24606","731726","Present"
-"4-Tritylaniline hydrochloride","","","","","","","","","","","","","","","","","","","","NSC624226","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)N.Cl","GGYQDMHUVMIEFM-UHFFFAOYSA-N","361283",NA,"PDBC24607","624226","Present"
-"4-Trityloxybutan-1-ol","","","","","","","","","","","","","","","","","","","","4-Trityloxybutan-1-ol","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCCCO","CGCHCSJZVSGAIH-UHFFFAOYSA-N","371702",NA,"PDBC24608","646152","Present"
-"4-Tritylphenol","","","","","","","","","","","","","","","","","","","","NSC56593","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)O","NIPKXTKKYSKEON-UHFFFAOYSA-N","70422",NA,"PDBC24609","56593","Present"
-"4-Vinyl-2,3-dihydro-1,2,3-thiadiazole","","","","","","","","","","","","","","","","","","","","4-Vinyl-2,3-dihydro-1,2,3-thiadiazole","","C=CC1=CSNN1","OCFITHDNYNRQPC-UHFFFAOYSA-N","366511",NA,"PDBC24610","635120","Present"
-"4-[(1-Adamantanamino)methyl]-3-hydroxy-2(1H)-pyridone, hydrate [10:7:11]","","","","","","","","","","","","","","","","","","","","4-[(1-Adamantanamino)methyl]-3-hydroxy-2(1H)-pyridone, s...","","C1C2CC3CC1CC(C2)(C3)NCC4=C(C(=O)NC=C4)O.[Na+]","CAQHQSAXFHFURL-UHFFFAOYSA-N","54608123",NA,"PDBC24611","647245","Present"
-"4-[(1-Methyl-6-nitroquinolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-4-ylidene)amino]phenyl]benzamide","","","","","","","","","","","","","","","","","","","","Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)am...","","CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=C4C=CN(C5=C4C=C(C=C5)[N+](=O)[O-])C)C=C1","SDVVSJQTYKFAFR-UHFFFAOYSA-N","319089",NA,"PDBC24612","260594","Present"
-"4-[(1-Oxoindan-2-ylidene)methyl]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[(1-Oxoindan-2-ylidene)methyl]benzonitrile","","C1C2=CC=CC=C2C(=O)C1=CC3=CC=C(C=C3)C#N","RQOUCEMLHPVXMH-OQLLNIDSSA-N","5467941",NA,"PDBC24613","660229","Present"
-"4-[(1-{3-[(3-Methoxyphenyl)amino]-3-oxopropanoyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(1-{3-[(3-methoxyphenyl)amino]-3-oxopropanoyl}-3-meth...","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC(=CC=C3)OC","PBNIYUVSTZBQSO-UHFFFAOYSA-N","387767",NA,"PDBC24614","681821","Present"
-"4-[(10,10-Dioxophenoxathiin-2-yl)amino]-3,6-dinitrochromen-2-one","","","","","","","","","","","","","","","","","","","","4-[(10,10-Dioxidophenoxathiin-2-yl)amino]-3,6-dinitro-2h-chromen-2-one","","C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)NC4=C(C(=O)OC5=C4C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","HJMSBOCNXLZVJY-UHFFFAOYSA-N","403319",NA,"PDBC24615","718025","Present"
-"4-[(10,10-Dioxophenoxathiin-2-yl)amino]-3-nitrochromen-2-one","","","","","","","","","","","","","","","","","","","","4-[(10,10-Dioxidophenoxathiin-2-yl)amino]-3-nitro-2h-chromen-2-one","","C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC4=C(C=C3)OC5=CC=CC=C5S4(=O)=O","FHNGKTRIKMDAJO-UHFFFAOYSA-N","403318",NA,"PDBC24616","718024","Present"
-"4-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]morpholine","","C1COCCN1C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","MTIBSOHZDJOFOS-WYMLVPIESA-N","1380407",NA,"PDBC24617","698370","Present"
-"4-[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]morpholine","","C1COCCN1C(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","CLBVOUZCUNLNNN-VURMDHGXSA-N","3004948",NA,"PDBC24618","665088","Present"
-"4-[(1E,3E)-4-(4-Ethoxythiochromenylium-2-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline tetrafluoroborate","","","","","","","","","","","","","","","","","","","","4-[(1E,3E)-4-(4-Ethoxythiochromenylium-2-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline tetrafluoroborate","","","","",NA,"PDBC24619","631073","Present"
-"4-[(1E,3E,5E)-6-(4-Bromophenyl)-1,2,3,4,5,6-hexafluorohexa-1,3,5-trienyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[(1E,3E,5E)-6-(4-Bromophenyl)-1,2,3,4,5,6-hexafluorohexa-1,3,5-trienyl]-N,N-dimethylaniline","","CN(C)C1=CC=C(C=C1)C(=C(C(=C(C(=C(C2=CC=C(C=C2)Br)F)F)F)F)F)F","DOEIIWUESIRGGI-HZDHKWBCSA-N","5470675",NA,"PDBC24620","704085","Present"
-"4-[(1S,3S,3Ar,6aS)-3,3a,6a-trihydroxy-2'-oxospiro[5,6-dihydro-4H-cyclopenta[c]furan-1,1'-cyclopentane]-3-yl]butanoic acid","","","","","","","","","","","","","","","","","","","","4-[(1S,3S,3Ar,6aS)-3,3a,6a-trihydroxy-2'-oxospiro[5,6-dihydro-4H-cyclopenta[c]furan-1,1'-cyclopentane]-3-yl]butanoic acid","","C1CC(=O)C2(C1)C3(CCCC3(C(O2)(CCCC(=O)O)O)O)O","JDWHEOLBWSWHFS-TUVASFSCSA-N","398054",NA,"PDBC24621","707231","Present"
-"4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]-N-(1,5-dihydroxypentan-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]-N-(1,5-dihydroxypentan-2-yl)benzamide","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCCO)CO","JDUUTIHWTHNTIA-UHFFFAOYSA-N","393095",NA,"PDBC24622","694479","Present"
-"4-[(2,4-Diaminopyrimidin-5-yl)methyl-methyl-amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(2,4-Diaminopyrimidin-5-yl)methyl-methylamino]benzoic acid;hydrobromide","","CN(CC1=CN=C(N=C1N)N)C2=CC=C(C=C2)C(=O)O.Br","MKMPEIZCHMFFKL-UHFFFAOYSA-N","24190776",NA,"PDBC24623","114514","Present"
-"4-[(2,4-Dimethylphenyl)amino]naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","AG-205/37066085","","CC1=CC(=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32)C","ZAGDPSPINVOXCU-UHFFFAOYSA-N","272555",NA,"PDBC24624","117011","Present"
-"4-[(2,4-Dinitro-6-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-[(2,4-Dinitro-6-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid","","C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=C(C=C3S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])O)C(=O)O","ZCGHMFIVQIMDSP-UHFFFAOYSA-N","253241",NA,"PDBC24625","75901","Present"
-"4-[(2,4-Dioxo-3-phenylquinazolin-1-yl)methyl]-N-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","4-((2,4-dioxo-3-phenyl-3,4-dihydroquinazolin-1(2H)-yl)me...","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C(=O)NO","HOYQQVSAAUUYMT-UHFFFAOYSA-N","150456820",NA,"PDBC24626","787279","Present"
-"4-[(2-Benzyl-4-oxopyrazolo[3,4-d][1,3]thiazin-6-yl)amino]benzoic acid","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[2-(phenylmethyl)-4-oxo-4H-pyrazolo[3,4...","","C1=CC=C(C=C1)CN2C=C3C(=N2)N=C(SC3=O)NC4=CC=C(C=C4)C(=O)O","DGPWUOVYCRMSPU-UHFFFAOYSA-N","375343",NA,"PDBC24627","654967","Present"
-"4-[(2-Bromoacetyl)amino]-N-carbamoylbenzamide","","","","","","","","","","","","","","","","","","","","4-bromoacetamido-benzoylurea","","C1=CC(=CC=C1C(=O)NC(=O)N)NC(=O)CBr","XDUGUDZPYJGHIT-UHFFFAOYSA-N","398527",NA,"PDBC24628","708442","Present"
-"4-[(2-Chlorophenyl)diazenyl]-5-ethoxy-3-phenylpyrazole-1-carbodithioic acid","","","","","","","","","","","","","","","","","","","","4-[(2-Chlorophenyl)diazenyl]-5-ethoxy-3-phenylpyrazole-1-carbodithioic acid","","CCOC1=C(C(=NN1C(=S)S)C2=CC=CC=C2)N=NC3=CC=CC=C3Cl","ITALQPCUIJXJAA-UHFFFAOYSA-N","337720",NA,"PDBC24629","356648","Present"
-"4-[(2-Chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-[(2-Chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine","","CC1=CC2=C(N=C1C)N=C(N=C2SCC3=CC=CC=C3Cl)N","IHYYXOQCBBWIHX-UHFFFAOYSA-N","243964",NA,"PDBC24630","54278","Present"
-"4-[(2-Hydroxy-3-methoxy-5-formylbenzylidene)amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(2-Hydroxy-3-methoxy-5-formylbenzylidene)amino]benzenesulfonamide","","COC1=CC(=CC(=C1O)C=NC2=CC=C(C=C2)S(=O)(=O)N)C=O","SVLYOGUNQVNAQA-UHFFFAOYSA-N","403368",NA,"PDBC24631","718161","Present"
-"4-[(2-Hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one","","","","","","","","","","","","","","","","","","","","4-[(2-Hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one","","C1=CC=C(C(=C1)N=CC2=CC=C(C=C2)O)O","KILNMRJUXROOCU-UHFFFAOYSA-N","345771",NA,"PDBC24632","403546","Present"
-"4-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methylamino]butan-1-ol","","","","","","","","","","","","","","","","","","","","4-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methylamino]butan-1-ol","","COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CNCCCCO)OCO4","UQPBEFRUOBZHJO-UHFFFAOYSA-N","24205342",NA,"PDBC24633","735205","Present"
-"4-[(2-Naphthylsulfonyl)amino]butanoic acid","","","","","","","","","","","","","","","","","","","","NE55868","","C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCC(=O)O","PKRVKIZPJPPOED-UHFFFAOYSA-N","362742",NA,"PDBC24634","626997","Present"
-"4-[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyl]morpholine","","C1COCCN1CC2=[N+](ON=C2C3=CC=CC=C3)[O-]","RVJGPWNJCQMLDQ-UHFFFAOYSA-N","390737",NA,"PDBC24635","688496","Present"
-"4-[(2-Oxoindol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Sulfanilamide, N4-(2-oxo-3-indolinylidene)-N1-2-thiazolyl-","","C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)C(=O)N2","IENXPWLDDAEWSQ-UHFFFAOYSA-N","135451596",NA,"PDBC24636","133073","Present"
-"4-[(2E)-2-Benzylidenehydrazino]-5-phenyl-5H-oxazol-2-one","","","","","","","","","","","","","","","","","","","","4-[(2E)-2-Benzylidenehydrazino]-5-phenyl-5H-oxazol-2-one","","C1=CC=C(C=C1)C=NN=C2C(OC(=O)N2)C3=CC=CC=C3","VFYSBVOGXBKZSI-GZTJUZNOSA-N","135493924",NA,"PDBC24637","682128","Present"
-"4-[(2E)-2-[(10-Chloroanthracen-9-yl)methylidene]hydrazinyl]-N-(4-chlorophenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-[(2E)-2-[(10-Chloroanthracen-9-yl)methylidene]hydrazinyl]-N-(4-chlorophenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CC1=C(C(=NC(=O)N1)NN=CC2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl)C(=O)NC5=CC=C(C=C5)Cl","XKKVLZGPWYBJQD-AMVVHIIESA-N","54602111",NA,"PDBC24638","671851","Present"
-"4-[(2E)-2-[(4-Chlorophenyl)methylidene]hydrazinyl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-[(2E)-2-[(4-Chlorophenyl)methylidene]hydrazinyl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CC1=C(C(=NC(=O)N1)NN=CC2=CC=C(C=C2)Cl)C(=O)NC(C)(CO)CO","AKIHUJSVRKJHOX-FBCYGCLPSA-N","9556179",NA,"PDBC24639","671850","Present"
-"4-[(2R)-2-Hydroxy-2-[(2S)-2-hydroxy-3,5-dimethylcyclohexyl]ethyl]-1-methylpiperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","4-{(2r)-2-Hydroxy-2-[(2s)-2-hydroxy-3,5-dimethylcyclohexyl]ethyl}-1-methylpiperidine-2,6-dione","","CC1CC(C(C(C1)C(CC2CC(=O)N(C(=O)C2)C)O)O)C","RPDMMGDYKFBERB-AFWKKJRYSA-N","386125",NA,"PDBC24640","677757","Present"
-"4-[(2S)-2-[(1R,2S)-5-Tert-butyl-2-hydroxycyclohexyl]-2-hydroxyethyl]-1-phenylpiperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","4-{(2s)-2-[(1r,2s)-5-Tert-butyl-2-hydroxycyclohexyl]-2-hydroxyethyl}-1-phenylpiperidine-2,6-dione","","CC(C)(C)C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)O","MAYJEKMDSIJSLX-BTSWOQPFSA-N","386123",NA,"PDBC24641","677755","Present"
-"4-[(2S,3R)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]phenol","","","","","","","","","","","","","","","","","","","","4-[(2S,3R)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]phenol","","C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)CCCO)CO)O","CHTIIECQJLRFQJ-FUHWJXTLSA-N","384681",NA,"PDBC24642","674911","Present"
-"4-[(2Z)-2-(5-Oxooxolan-2-ylidene)ethoxy]chromen-2-one","","","","","","","","","","","","","","","","","","","","4-[(2Z)-2-(5-Oxooxolan-2-ylidene)ethoxy]chromen-2-one","","C1CC(=O)OC1=CCOC2=CC(=O)OC3=CC=CC=C32","UNIIBMGMLNSWEH-YFHOEESVSA-N","24205379",NA,"PDBC24643","735331","Present"
-"4-[(2Z)-2-[(4-Chlorophenyl)methylidene]hydrazinyl]-2H-phthalazin-1-one","","","","","","","","","","","","","","","","","","","","4-[(2Z)-2-[(4-Chlorophenyl)methylidene]hydrazinyl]-2H-phthalazin-1-one","","C1=CC=C2C(=C1)C(=O)NN=C2NN=CC3=CC=C(C=C3)Cl","UCCFIDQIOVTJPG-MFOYZWKCSA-N","9572673",NA,"PDBC24644","724112","Present"
-"4-[(2Z)-2-[3-Butyl-4-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]hydrazinyl]-2H-phthalazin-1-one","","","","","","","","","","","","","","","","","","","","4-[(2Z)-2-[3-Butyl-4-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]hydrazinyl]-2H-phthalazin-1-one","","CCCCN1C(CSC1=NNC2=NNC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl","LVCRBPPARDFEHP-QLYXXIJNSA-N","9572675",NA,"PDBC24645","724117","Present"
-"4-[(2Z)-2-[Amino(pyrazin-2-yl)methylidene]hydrazinyl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(2Z)-2-[Amino(pyrazin-2-yl)methylidene]hydrazinyl]benzoic acid","","C1=CC(=CC=C1C(=O)O)NN=C(C2=NC=CN=C2)N","XRNRPHOUMVXVSZ-UHFFFAOYSA-N","9572226",NA,"PDBC24646","709080","Present"
-"4-[(3,4,5-Trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline","","","","","","","","","","","","","","","","","","","","4-[(3,4,5-Trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline","","COC1=CC(=CC(=C1OC)OC)OCC2=NC3=CC=CC=C3N4C2=CC=C4","BEJCRZZFAIBPOP-UHFFFAOYSA-N","399540",NA,"PDBC24647","710404","Present"
-"4-[(3,4,5-Trimethoxyphenyl)methylsulfanyl]phenol","","","","","","","","","","","","","","","","","","","","JBTRUPZYRYLZFH-UHFFFAOYSA-N","","COC1=CC(=CC(=C1OC)OC)CSC2=CC=C(C=C2)O","JBTRUPZYRYLZFH-UHFFFAOYSA-N","384136",NA,"PDBC24648","673423","Present"
-"4-[(3,4,5-Trimethoxyphenyl)methylsulfinyl]phenol","","","","","","","","","","","","","","","","","","","","VXIHXSAKWFINBO-UHFFFAOYSA-N","","COC1=CC(=CC(=C1OC)OC)CS(=O)C2=CC=C(C=C2)O","VXIHXSAKWFINBO-UHFFFAOYSA-N","384137",NA,"PDBC24649","673424","Present"
-"4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide","","CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=CC(=O)C(=O)C4=CC=CC=C43","BVNJUTIYJPUMGH-UHFFFAOYSA-N","369837",NA,"PDBC24650","642034","Present"
-"4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-1,3-thiazol-2-ylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-1,3-thiazol-2-ylbenzenesulfonamide","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4","ZVYPGYFZNKUQNJ-UHFFFAOYSA-N","372904",NA,"PDBC24651","648616","Present"
-"4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4","GUYVGEWCKMLWDM-UHFFFAOYSA-N","367782",NA,"PDBC24652","637723","Present"
-"4-[(3,5-Diethyl-1,2,4-triazol-4-yl)amino]butanoic acid","","","","","","","","","","","","","","","","","","","","4-[(3,5-Diethyl-1,2,4-triazol-4-yl)amino]butanoic acid","","CCC1=NN=C(N1NCCCC(=O)O)CC","PFRUWDLGGTZQSH-UHFFFAOYSA-N","390152",NA,"PDBC24653","687220","Present"
-"4-[(3,5-Dimethoxy-benzylidene)-amino]-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(3,5-Dimethoxy-benzylidene)-amino]-benzenesulfonamide","","COC1=CC(=CC(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N)OC","RFNXRHDARWEVTJ-UHFFFAOYSA-N","404320",NA,"PDBC24654","720515","Present"
-"4-[(3,6-Dioxocyclohexa-1,4-dien-1-yl)methylamino]benzamide","","","","","","","","","","","","","","","","","","","","Benzamide, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)-methyl] a...","","C1=CC(=CC=C1C(=O)N)NCC2=CC(=O)C=CC2=O","WAAWKHMHFXKOIA-UHFFFAOYSA-N","386915",NA,"PDBC24655","679817","Present"
-"4-[(3-Amino-2-phenylquinoxalin-6-yl)methoxy]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(3-Amino-2-phenylquinoxalin-6-yl)methoxy]benzoic acid","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)COC4=CC=C(C=C4)C(=O)O)N=C2N","VUVLVEQZLCRMKA-UHFFFAOYSA-N","379477",NA,"PDBC24656","664031","Present"
-"4-[(3-Carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-hydroxy-2-naphthoic acid","","","","","","","","","","","","","","","","","","","","1,2-bis(3-carboxy-4-hydroxy-naphthalen-1-yl)ethane-1,2-d...","","C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)C(=O)C(=O)C3=CC(=C(C4=CC=CC=C43)O)C(=O)O","BRCWHTNRFUVIQT-UHFFFAOYSA-N","324974",NA,"PDBC24657","292213","Present"
-"4-[(3-Chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one","","","","","","","","","","","","","","","","","","","","4-[(3-Chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one","","C1=CC2=CC(=CC3=C2C(=C1)NC3=O)NCC(CCl)O","WTYWMEUECKNSJY-UHFFFAOYSA-N","356124",NA,"PDBC24658","611216","Present"
-"4-[(3-Chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-1-methyl-piperidine","","","","","","","","","","","","","","","","","","","","4-[(3-Chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-1-methyl-piperidine","","CN1CCC(CC1)SC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24","JZNJGOKDPVHBAX-UHFFFAOYSA-N","366669",NA,"PDBC24659","635365","Present"
-"4-[(3-Chloro-5-methylacridin-9-yl)amino]-2-(diethylaminomethyl)phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[(3-Chloro-5-methylacridin-9-yl)amino]-2-(diethylaminomethyl)phenol;hydrochloride","","CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC4=C(C=CC=C42)C)Cl)O.Cl","XNPGZYBBORZOSS-UHFFFAOYSA-N","24184094",NA,"PDBC24660","32941","Present"
-"4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenol","","","","","","","","","","","","","","","","","","","","4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenol","","C1=CC=C2C(=C1)C(=C3C(=COC3=N2)Cl)NC4=CC=C(C=C4)O","JVSYXUIPLMUBKE-UHFFFAOYSA-N","24203390",NA,"PDBC24661","727798","Present"
-"4-[(3-Chlorophenyl)iminomethyl]-N,N-bis(3-chloropropyl)aniline","","","","","","","","","","","","","","","","","","","","4-[(3-Chlorophenyl)iminomethyl]-N,N-bis(3-chloropropyl)aniline","","C1=CC(=CC(=C1)Cl)N=CC2=CC=C(C=C2)N(CCCCl)CCCCl.Cl","ADOKPIXPXIWSKR-UHFFFAOYSA-N","24193638",NA,"PDBC24662","154894","Present"
-"4-[(3-Cyclohexylpropanoylamino)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(3-Cyclohexylpropanamido)methyl]benzoic acid","","C1CCC(CC1)CCC(=O)NCC2=CC=C(C=C2)C(=O)O","HSJYVIPEBQLROH-UHFFFAOYSA-N","396317",NA,"PDBC24663","702107","Present"
-"4-[(3S,5R,8R,10S,13R,14S,17R)-3-Acetyloxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid","","","","","","","","","","","","","","","","","","","","4-[(3S,5R,8R,10S,13R,14S,17R)-3-Acetyloxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid","","CC(CCC(=O)O)C1CCC2(C1(CC(=O)C3C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C","NCFTZXFNLDZVGA-WLYNGDKYSA-N","24204293",NA,"PDBC24664","731279","Present"
-"4-[(3Z)-4,8-Dimethylnona-3,7-dienyl]-4-methyl-3-oxabicyclo[3.1.0]hexan-2-one","","","","","","","","","","","","","","","","","","","","NSC679272///NSC679273","","CC(=CCCC(=CCCC1(C2CC2C(=O)O1)C)C)C","OFZWRXHQZSEPAU-LCYFTJDESA-N","54598757",NA,"PDBC24665","679272///679273","Present"
-"4-[(3Z)-4-Chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[(3Z)-4-Chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl]morpholine","","C1COCCN1C(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])N2CCOCC2","WYHRUYFCMWYDBZ-PKNBQFBNSA-N","1423778",NA,"PDBC24666","665094","Present"
-"4-[(4,7-Difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]anilino]pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","4-((4,7-difluoro-2-methyl-1H-indol-5-yl)oxy)-6-((4-((3S,...","","CC1CN(CC(N1)C)C2=CC=C(C=C2)NC3=C(C(=NC=N3)OC4=CC(=C5C(=C4F)C=C(N5)C)F)C#N","CUIQXTHSRPQJTD-IYBDPMFKSA-N","135278550",NA,"PDBC24667","788436","Present"
-"4-[(4-Allyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide","","","","","","","","","","","","","","","","","","","","4-[(4-Allyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide","","CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CCN(CC3)CC=C","BYUQJNUSTSPWIV-UHFFFAOYSA-N","398115",NA,"PDBC24668","707481","Present"
-"4-[(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl)methyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl)methyl]benzenesulfonamide","","CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)CC3=CC=C(C=C3)S(=O)(=O)N)C","ZTMVDRLFXGUJLE-UHFFFAOYSA-N","393960",NA,"PDBC24669","697032","Present"
-"4-[(4-Aminophenoxy)methyl]-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-[(4-Aminophenoxy)methyl]-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)COC3=CC=C(C=C3)N","XYFRDBLEBBXYEE-UHFFFAOYSA-N","393952",NA,"PDBC24670","696924","Present"
-"4-[(4-Bromophenyl)diazenyl]benzene-1,3-diol","","","","","","","","","","","","","","","","","","","","4-[(4-Bromophenyl)diazenyl]benzene-1,3-diol","","C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)O)Br","JXDXGMHMDHIKCO-UHFFFAOYSA-N","345174",NA,"PDBC24671","402590","Present"
-"4-[(4-Carbamimidoylphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[(4-Carbamimidoylphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;hydrochloride","","C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=N)N.Cl","NFCJIVVKCRXVPH-UHFFFAOYSA-N","135502362",NA,"PDBC24672","359466","Present"
-"4-[(4-Carboxyphenyl)-dimethylsilyl]benzoic acid","","","","","","","","","","","","","","","","","","","","CS-0110935","","C[Si](C)(C1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)C(=O)O","FWPQAYDKDSTZHK-UHFFFAOYSA-N","301653",NA,"PDBC24673","179703","Present"
-"4-[(4-Chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(4-Chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide","","C1=CC(=CC=C1CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)Cl","FHZADBSEPBDCSW-MDZDMXLPSA-N","24204720",NA,"PDBC24674","732548","Present"
-"4-[(4-Chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(4-Chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid","","C1=CC(=CC=C1CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)C(=O)O)Cl","ZRXOORNRDVFGLQ-MDZDMXLPSA-N","24204721",NA,"PDBC24675","732549","Present"
-"4-[(4-Ethoxyphenyl)methylene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","4-[(4-Ethoxyphenyl)methylene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one","","CCOC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]","GSYGLLMVINPLGH-WJDWOHSUSA-N","695910",NA,"PDBC24676","201767","Present"
-"4-[(4-Hydroxyphenyl)methyl]-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","","","","","","","","","","","","","","","","","4-[(4-Hydroxyphenyl)methyl]-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane","","","","",NA,"PDBC24677","658197","Present"
-"4-[(4-Isopropylphenyl)methylene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","4-[(4-Isopropylphenyl)methylene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one","","CC(C)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]","DHPVSMDXZJHILI-BOPFTXTBSA-N","695850",NA,"PDBC24678","201917","Present"
-"4-[(4-Methylidene-5-oxo-2-phenyloxolan-2-yl)methoxy]chromen-2-one","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-2-one, 4-[(tetrahydro-4-methylene- 5-oxo...","","C=C1CC(OC1=O)(COC2=CC(=O)OC3=CC=CC=C32)C4=CC=CC=C4","ATSWSVKABBOUBT-UHFFFAOYSA-N","381514",NA,"PDBC24679","668270","Present"
-"4-[(4-Methylphenyl)sulfonylcarbamoylamino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-(p-Tolylsulfonylcarbamoylamino)benzoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)O","OEUJMOSAGXAINH-UHFFFAOYSA-N","396483",NA,"PDBC24680","702667","Present"
-"4-[(4-Nitrophenyl)methylsulfanyl]-3H-imidazo[4,5-d]pyridazine","","","","","","","","","","","","","","","","","","","","4-[(4-Nitrophenyl)methylsulfanyl]-3H-imidazo[4,5-d]pyridazine","","C1=CC(=CC=C1CSC2=C3C(=CN=N2)NC=N3)[N+](=O)[O-]","NQAHVUDMSWMPDE-UHFFFAOYSA-N","5466430",NA,"PDBC24681","690580","Present"
-"4-[(4-Sulfamoyl-phenylimino)-methyl]-benzoic acid methyl ester","","","","","","","","","","","","","","","","","","","","4-[(4-Sulfamoyl-phenylimino)-methyl]-benzoic acid methyl...","","COC(=O)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N","YZEOAYHOGOIEAH-UHFFFAOYSA-N","404376",NA,"PDBC24682","720587","Present"
-"4-[(4E)-4-[(3,4-Dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[(4E)-4-[(3,4-Dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC(=C(C=C4)OC)OC)C3=O)C5=CC=CC=C5","UDFWGAOIMDOYHH-HAVVHWLPSA-N","45028017",NA,"PDBC24683","740616","Present"
-"4-[(4E)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-3-sulfanylidene-2H-1,2,4-triazin-5-one","","","","","","","","","","","","","","","","","","","","4-[(4E)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-3-sulfanylidene-2H-1,2,4-triazin-5-one","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2N4C(=O)C=NNC4=S","XAHCRHYSFSKLJK-XNTDXEJSSA-N","5471340",NA,"PDBC24684","710587","Present"
-"4-[(4E)-4-[(4-Hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[(4E)-4-[(4-Hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=C(C=C4)O)C3=O)C5=CC=CC=C5","GEBKYRLSGCJTAL-HAVVHWLPSA-N","45028014",NA,"PDBC24685","740612","Present"
-"4-[(4Z)-4-(Furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(4Z)-4-(Furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CO3)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","SNPCXTCFGZFRLT-HKWRFOASSA-N","5472418",NA,"PDBC24686","718653","Present"
-"4-[(4Z)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[(4Z)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=C(C=C4)Cl)C3=O)C5=CC=CC=C5","YLMIJMQLANERLO-QJOMJCCJSA-N","5472419",NA,"PDBC24687","718654","Present"
-"4-[(4Z)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(4Z)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","AIJYZGNYBPFQQG-JWGURIENSA-N","5472415",NA,"PDBC24688","718650","Present"
-"4-[(4Z)-4-[(4-Hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(4Z)-4-[(4-Hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5)O","OVFDDSJNXMSNMR-QNGOZBTKSA-N","5472417",NA,"PDBC24689","718652","Present"
-"4-[(4Z)-4-[(5-Nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[4-[(5-Nitro-2-furanyl)methylene]-3,5-dioxo-1-pyrazoli...","","C1=CC(=CC=C1C(=O)O)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)N2","IBJLHXSMGYPHOL-XFFZJAGNSA-N","96892468",NA,"PDBC24690","754673","Present"
-"4-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]-2-methyl-phenyl]methylene]-5-oxo-2-[(E)-styryl]imidazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]methylidene]-5-oxo-2-[(E)-2-phenylethenyl]imidazol-1-yl]benzenesulfonamide","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N","OGQPJIGUPZYTLI-FTMGPJKFSA-N","6477348",NA,"PDBC24691","645681","Present"
-"4-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]benzoic acid","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=C(C=C4)C(=O)O","JXZMFFWUFBCJMH-QOMWVZHYSA-N","5469994",NA,"PDBC24692","695306","Present"
-"4-[(4Z)-5-Oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(4Z)-5-Oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","C1=CC=C(C=C1)C=CC=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","IQNUTSKHJKAKBB-OBJYXWAWSA-N","5472416",NA,"PDBC24693","718651","Present"
-"4-[(4Z)-5-Oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(4Z)-5-Oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N2C5=CC=C(C=C5)S(=O)(=O)NC6=NC=CS6","HFIQRJWLGOLTAU-HFTWOUSFSA-N","5472414",NA,"PDBC24694","718649","Present"
-"4-[(5,6-Dichloro-1H-benzimidazol-2-yl)methylamino]benzoic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[(5,6-Dichloro-1H-benzimidazol-2-yl)methylamino]benzoic acid;hydrochloride","","C1=CC(=CC=C1C(=O)O)NCC2=NC3=CC(=C(C=C3N2)Cl)Cl.Cl","ROIVUENVOLNBNN-UHFFFAOYSA-N","24187152",NA,"PDBC24695","60044","Present"
-"4-[(5-Hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-10-yl)diazenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(5-Hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-10-yl)diazenyl]benzenesulfonamide","","CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=C(C=C4)S(=O)(=O)N)O)C","ITJZUOMWMXOYNN-UHFFFAOYSA-N","402605",NA,"PDBC24696","716761","Present"
-"4-[(5-Methyl-1,2-oxazol-3-yl)amino]naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","Naphthalen-1(4H)-one, 2-hydroxy-4-[(5-methyl-3-isoxazoly...","","CC1=CC(=NO1)NC2=CC(=O)C(=O)C3=CC=CC=C32","IFSUAZMMRGKLIC-UHFFFAOYSA-N","384243",NA,"PDBC24697","673784","Present"
-"4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione","","CC1=C(C=NO1)NC2=CC(=O)C(=O)C3=CC=CC=C32","FOOWZVXRYSYDHR-UHFFFAOYSA-N","178500",NA,"PDBC24698","673786","Present"
-"4-[(5-Nitro-1-benzothiophen-2-yl)methylideneamino]phenol","","","","","","","","","","","","","","","","","","","","4-{[(1e)-(5-Nitro-1-benzothiophen-2-yl)methylidene]amino}phenol","","C1=CC(=CC=C1N=CC2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])O","JYBNILWEFNWMBG-UHFFFAOYSA-N","400282",NA,"PDBC24699","711816","Present"
-"4-[(5-Nitro-2-furyl)methylene]-1,1-dioxo-1,2,6-thiadiazine-3,5-diamine","","","","","","","","","","","","","","","","","","","","4-[(5-Nitrofuran-2-yl)methylidene]-4H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide","","C1=C(OC(=C1)[N+](=O)[O-])C=C2C(=NS(=O)(=O)N=C2N)N","XEORIUZUCHZWMP-UHFFFAOYSA-N","373938",NA,"PDBC24700","650967","Present"
-"4-[(5-Nitro-2-furyl)methylene]-2,6-bis(2-phenylethyl)-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide","","","","","","","","","","","","","","","","","","","","4-[(5-Nitro-2-furyl)methylene]-2,6-bis(2-phenylethyl)-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide","","C1=CC=C(C=C1)CCN2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)N(S2(=O)=O)CCC4=CC=CC=C4","FPLJCWQCNWYLDZ-UHFFFAOYSA-N","373939",NA,"PDBC24701","650968","Present"
-"4-[(5S)-3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1,3-diphenylpyrazole","","","","","","","","","","","","","","","","","","","","4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl)-1,3-d...","","C1C(NN=C1C2=CC=C(C=C2)Cl)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5","SRUCQZVGORLACY-QHCPKHFHSA-N","155812961",NA,"PDBC24702","757935","Present"
-"4-[(5S,7S,8R,10S,13R,17R)-3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid","","","","","","","","","","","","","","","","","","","","23-Methyl-ursodeoxycholic acid (.alpha.+.beta.)","","CC(CC(C)C(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C","XMIXAXLPZCFFCG-WSAKNZEVSA-N","376836",NA,"PDBC24703","657954","Present"
-"4-[(5S,8Ar)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol","","","","","","","","","","","","","","","","","","","","4-[(5S,8Ar)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol","","COC1=CC(=CC(=C1O)OC)C2C3COCC3C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F","VLPHGXXQYKICOE-RDHLJCLJSA-N","378224",NA,"PDBC24704","660027","Present"
-"4-[(5S,8Ar)-5-anilino-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol","","","","","","","","","","","","","","","","","","","","4-[(5S,8Ar)-5-anilino-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol","","COC1=CC(=CC(=C1O)OC)C2C3COCC3C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6","BMJWRZLUIIQSKY-RDHLJCLJSA-N","378225",NA,"PDBC24705","660028","Present"
-"4-[(5S,8R,8Ar)-5-anilino-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol","","","","","","","","","","","","","","","","","","","","4-[(5S,8R,8Ar)-5-anilino-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol","","COC1C2C(CO1)C(C3=CC4=C(C=C3C2C5=CC(=C(C(=C5)OC)O)OC)OCO4)NC6=CC=CC=C6","SYASBYQWDNGWKR-NEZYKZEESA-N","378223",NA,"PDBC24706","660026","Present"
-"4-[(6-Aminoquinoxalin-2-yl)amino]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[(6-Aminoquinoxalin-2-yl)amino]benzonitrile","","C1=CC(=CC=C1C#N)NC2=CN=C3C=C(C=CC3=N2)N","MPMODVQXPSSCAI-UHFFFAOYSA-N","374825",NA,"PDBC24707","653248","Present"
-"4-[(6-Chloro-2-methoxyacridin-9-yl)amino]-5-methyl-2-propan-2-ylphenol","","","","","","","","","","","","","","","","","","","","4-[(6-Chloro-2-methoxyacridin-9-yl)amino]-5-methyl-2-propan-2-ylphenol","","CC1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)C(C)C)O","MIOFGYQKSYDPBN-UHFFFAOYSA-N","224524",NA,"PDBC24708","13051","Present"
-"4-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrrolo[1,2-a]quinoxaline","","","","","","","","","","","","","","","","","","","","4-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrrolo[1,2-a]quinoxaline","","C1C2=C(C(=CC(=C2)Cl)CSC3=NC4=CC=CC=C4N5C3=CC=C5)OCO1","GFEARZNFPWFVSH-UHFFFAOYSA-N","331156",NA,"PDBC24709","321491","Present"
-"4-[(6-Cyclopentyloxypyrimidin-4-yl)amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-((6-(cyclopentyloxy)pyrimidin-4-yl)amino)-N-(4-((4-met...","","CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=CC(=NC=N4)OC5CCCC5","JMAXSZVKSRAYET-UHFFFAOYSA-N","155817097",NA,"PDBC24710","799654","Present"
-"4-[(6-Nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide","","","","","","","","","","","","","","","","","","","","4-(6-nitroquinolin-4-ylamino)-N-(4-(pyridin-4-yl-amino)p...","","C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=NC=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-]","KUBNLSZSAIOAMS-UHFFFAOYSA-N","4532204",NA,"PDBC24711","146771","Present"
-"4-[(6-Phenoxypyrimidin-4-yl)amino]-N-(4-piperazin-1-ylphenyl)-1H-pyrazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-((6-phenoxypyrimidin-4-yl)amino)-N-(4-(piperazin-1-yl)...","","C1CN(CCN1)C2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=CC(=NC=N4)OC5=CC=CC=C5","RSZBDSJQRIEBFQ-UHFFFAOYSA-N","151772999",NA,"PDBC24712","799653","Present"
-"4-[(7-Aminoquinoxalin-2-yl)amino]benzonitrile","","","","","","","","","","","","","","","","","","","","4-(7-aminoquinoxalin-2-ylamino)benzonitrile","","C1=CC(=CC=C1C#N)NC2=CN=C3C=CC(=CC3=N2)N","LXUWASPZBKPTKB-UHFFFAOYSA-N","374827",NA,"PDBC24713","653250","Present"
-"4-[(7-Chloroquinolin-4-yl)amino]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-[(7-Chloroquinolin-4-yl)amino]benzenesulfonic acid","","C1=CC(=CC=C1NC2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)O","SJQXBEPEPCAVEI-UHFFFAOYSA-N","388376",NA,"PDBC24714","683268","Present"
-"4-[(8-Hydroxy-5-sulfoquinolin-7-yl)azo]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(8-Hydroxy-5-sulfoquinolin-7-yl)azo]benzoic acid","","C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC=C(C=C3)C(=O)O)S(=O)(=O)O","LUWSVZRGAVETOB-UHFFFAOYSA-N","364700",NA,"PDBC24715","631352","Present"
-"4-[(8-Hydroxyquinolin-5-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(8-Hydroxyquinolin-5-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide","","C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C4C=CC=NC4=C(C=C3)O","IOROHHFNXSCMPV-UHFFFAOYSA-N","419383",NA,"PDBC24716","114384","Present"
-"4-[(8-Hydroxyquinolin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(8-Hydroxyquinolin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide","","C1=CC2=C(C=CC(=C2N=C1)O)N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4","HFVBFGGESMZQHZ-UHFFFAOYSA-N","419384",NA,"PDBC24717","114385","Present"
-"4-[(8-Methoxy-2-phenylquinolin-4-yl)amino]-N-(2-piperazin-1-ylethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-[(8-Methoxy-2-phenylquinolin-4-yl)amino]-N-(2-piperazin-1-ylethyl)benzamide","","COC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)C(=O)NCCN4CCNCC4)C5=CC=CC=C5","FEDWUZRPVGODCQ-UHFFFAOYSA-N","24205375",NA,"PDBC24718","735326","Present"
-"4-[(8-Methoxy-2-phenylquinolin-4-yl)amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(8-Methoxy-2-phenylquinolin-4-yl)amino]benzoic acid","","COC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4","WRSZSPXDPKORAC-UHFFFAOYSA-N","24205368",NA,"PDBC24719","735319","Present"
-"4-[(Aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[(Aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide","","C1=CC(=CC=C1NC(=O)N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N","DNJKYTRZNPUEST-UHFFFAOYSA-N","397555",NA,"PDBC24720","705875","Present"
-"4-[(Carboxymethyl)amino]benzoic acid","","","","","","","","","","","","","","","","","","","","N-(p-Carboxyphenyl)glycine","","C1=CC(=CC=C1C(=O)O)NCC(=O)O","YJEYSNOXMPDLJC-UHFFFAOYSA-N","225483",NA,"PDBC24721","14973","Present"
-"4-[(E)-(2,4-Dimethoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(2,4-Dimethoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=C(C=C(C=C2)OC)OC","FKKGRLADIIPGRK-NTUHNPAUSA-N","9556358",NA,"PDBC24722","698067","Present"
-"4-[(E)-(2,4-Dimethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(2,4-Dimethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","COC1=CC(=C(C=C1)C=NN2C(=NNC2=O)C3=CC=CC=C3)OC","IYGJFPUEAFSDHZ-WOJGMQOQSA-N","9556391",NA,"PDBC24723","702399","Present"
-"4-[(E)-(2-Chlorophenyl)methyleneamino]-3-ethyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(2-Chlorophenyl)methyleneamino]-3-ethyl-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1N=CC2=CC=CC=C2Cl","WVODHJCZZFEZTR-NTUHNPAUSA-N","9574950",NA,"PDBC24724","680862","Present"
-"4-[(E)-(2-Chlorophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(2-Chlorophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CC=C3Cl","ZLNCGJPMHDQXFM-LICLKQGHSA-N","9556310",NA,"PDBC24725","690625","Present"
-"4-[(E)-(2-Hydroxy-1-naphthyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(2-Hydroxy-1-naphthyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=C(C=CC4=CC=CC=C43)O","DURPQMOKNMDKQS-UDWIEESQSA-N","135505141",NA,"PDBC24726","687210","Present"
-"4-[(E)-(2-Hydroxyphenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(2-Hydroxyphenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CC=C3O","WKTJNNKHTHFTNL-MHWRWJLKSA-N","135509211",NA,"PDBC24727","681537","Present"
-"4-[(E)-(3-Chlorophenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(3-Chlorophenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC(=CC=C2)Cl","HQPVWVDYFVWSJB-WUXMJOGZSA-N","9556361",NA,"PDBC24728","698070","Present"
-"4-[(E)-(3-Methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(3-Methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC(=CC=C2)OC","HEDIVCVIXASBMN-KPKJPENVSA-N","9556354",NA,"PDBC24729","698063","Present"
-"4-[(E)-(3-Methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(3-Methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","COC1=CC=CC(=C1)C=NN2C(=NNC2=O)C3=CC=CC=C3","IVRXAQCQOLODLF-GZTJUZNOSA-N","9556357",NA,"PDBC24730","698066","Present"
-"4-[(E)-(3-Nitrophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(3-Nitrophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC(=CC=C3)[N+](=O)[O-]","XVMFAKSSFRPUQJ-MHWRWJLKSA-N","9556308",NA,"PDBC24731","690623","Present"
-"4-[(E)-(4-Chlorophenyl)methylideneamino]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-[(E)-(4-Chlorophenyl)methylideneamino]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1H-1,2,4-triazole-5-thione","","C1CCC2=C(C1)C=CC(=C2)OCC3=NNC(=S)N3N=CC4=CC=C(C=C4)Cl","YXOFVGRHMUFYMG-WSDLNYQXSA-N","9572476",NA,"PDBC24732","717217","Present"
-"4-[(E)-(4-Chlorophenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(4-Chlorophenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC=C(C=C2)Cl","DGYLCIZIXXLHRU-WUXMJOGZSA-N","9601321",NA,"PDBC24733","698071","Present"
-"4-[(E)-(4-Fluoro-3-phenoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-[(E)-(4-Fluoro-3-phenoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione","","CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)F)OC3=CC=CC=C3","PNKKFMQHQVFVGF-VCHYOVAHSA-N","24202928",NA,"PDBC24734","726305","Present"
-"4-[(E)-(4-Fluorophenyl)methylideneamino]-5-methyl-2-[[2-(trifluoromethyl)anilino]methyl]-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","4-[(E)-(4-Fluorophenyl)methylideneamino]-5-methyl-2-[[2-(trifluoromethyl)anilino]methyl]-1,2,4-triazole-3-thione","","CC1=NN(C(=S)N1N=CC2=CC=C(C=C2)F)CNC3=CC=CC=C3C(F)(F)F","NBKPUVQVAUDMAX-YSURURNPSA-N","24205543",NA,"PDBC24735","736142","Present"
-"4-[(E)-(4-Methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(4-Methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC=C(C=C2)OC","SJZJJWDBNVEBNT-KPKJPENVSA-N","9556350",NA,"PDBC24736","698059","Present"
-"4-[(E)-(4-Methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(4-Methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","COC1=CC=C(C=C1)C=NN2C(=NNC2=O)C3=CC=CC=C3","LQZCGSXYNOUBDX-GZTJUZNOSA-N","9556353",NA,"PDBC24737","698062","Present"
-"4-[(E)-(4-Nitrophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","1H-1,2,4-Triazole-5(4H)-one, 4-[[(4-nitrophenyl)methylen...","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=C(C=C3)[N+](=O)[O-]","FXOUZPHNQHTBME-MHWRWJLKSA-N","9571512",NA,"PDBC24738","675223","Present"
-"4-[(E)-(5-Methyl-2-phenylpyrazol-3-yl)iminomethyl]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[(E)-(5-Methyl-2-phenylpyrazol-3-yl)iminomethyl]benzonitrile","","CC1=NN(C(=C1)N=CC2=CC=C(C=C2)C#N)C3=CC=CC=C3","RXNYOUNWRDDFQI-DEDYPNTBSA-N","9572414",NA,"PDBC24739","715230","Present"
-"4-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3-[2-[4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3-[2-[4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione","","C1=C(OC(=C1)[N+](=O)[O-])C=NN2C(=NNC2=S)CCC3=NNC(=S)N3N=CC4=CC=C(O4)[N+](=O)[O-]","RRAUTPVCLVWGGX-ZEELXFFVSA-N","9572371",NA,"PDBC24740","713330","Present"
-"4-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=C(O3)[N+](=O)[O-]","CCBCFFSRPUCXIV-RIYZIHGNSA-N","9556349",NA,"PDBC24741","698058","Present"
-"4-[(E)-(9-Ethylcarbazol-3-yl)azo]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[(E)-(9-Ethylcarbazol-3-yl)azo]benzonitrile","","CCN1C2=C(C=C(C=C2)N=NC3=CC=C(C=C3)C#N)C4=CC=CC=C41","TUUFSFXGKKPFKX-UHFFFAOYSA-N","394667",NA,"PDBC24742","698269","Present"
-"4-[(E)-(Carbamothioylhydrazinylidene)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-olate;iron(3+);sulfate","","","","","","","","","","","","","","","","","","","","4-[(E)-(Carbamothioylhydrazinylidene)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-olate;iron(3+);sulfate","","","","",NA,"PDBC24743","613665","Present"
-"4-[(E)-1-[4-[2-(Diethylamino)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenol","","","","","","","","","","","","","","","","","","","","4-[({E})-1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-metho...","","CCN(CC)CCOC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)O","WPCIWEQOZYXWLZ-QUPMIFSKSA-N","155808616",NA,"PDBC24744","798076","Present"
-"4-[(E)-1H-Indol-3-ylmethylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-1H-Indol-3-ylmethylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CNC3=CC=CC=C32","QAPDAVXOXYLHEP-VGOFMYFVSA-N","135505167",NA,"PDBC24745","698073","Present"
-"4-[(E)-1H-Indol-3-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-1H-Indol-3-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CNC4=CC=CC=C43","JZWDHVPFMLTADC-YBFXNURJSA-N","135505175",NA,"PDBC24746","702403","Present"
-"4-[(E)-1H-Indol-3-ylmethylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-1H-Indol-3-ylmethylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one","","C1=CC=C2C(=C1)C(=CN2)C=NN3C(=O)C=NNC3=S","XJFQGWBNMVUWLL-GIDUJCDVSA-N","135436157",NA,"PDBC24747","710582","Present"
-"4-[(E)-2-(2,3-Dimethoxyphenyl)ethenyl]quinoline","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(2,3-Dimethoxyphenyl)ethenyl]quinoline","","COC1=CC=CC(=C1OC)C=CC2=CC=NC3=CC=CC=C23","ZYGZOGZGBVGFHD-ZHACJKMWSA-N","5830089",NA,"PDBC24748","69601","Present"
-"4-[(E)-2-(2,4,5-Trimethoxyphenyl)ethenyl]cinnoline","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(2,4,5-Trimethoxyphenyl)ethenyl]cinnoline","","COC1=CC(=C(C=C1C=CC2=CN=NC3=CC=CC=C32)OC)OC","UILDSNNHGJAGEF-CMDGGOBGSA-N","6413258",NA,"PDBC24749","186946","Present"
-"4-[(E)-2-(2,5-Dimethoxyphenyl)vinyl]cinnoline","","","","","","","","","","","","","","","","","","","","Cinnoline, 4-[2-(2,5-dimethoxyphenyl)ethenyl]-","","COC1=CC(=C(C=C1)OC)C=CC2=CN=NC3=CC=CC=C32","VKBHPOSMLJQUEV-BQYQJAHWSA-N","6412590",NA,"PDBC24750","166682","Present"
-"4-[(E)-2-(2-Chlorophenyl)ethenyl]-1,3-thiazole","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(2-Chlorophenyl)ethenyl]-1,3-thiazole","","C1=CC=C(C(=C1)C=CC2=CSC=N2)Cl","VIBNPLIHZMPCKW-AATRIKPKSA-N","5388396",NA,"PDBC24751","635551","Present"
-"4-[(E)-2-(2-Chlorophenyl)ethenyl]quinoline","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(2-Chlorophenyl)ethenyl]quinoline","","C1=CC=C(C(=C1)C=CC2=CC=NC3=CC=CC=C23)Cl","DVQQCTSFLJNTCY-MDZDMXLPSA-N","5351666",NA,"PDBC24752","15784","Present"
-"4-[(E)-2-(3,4,5-Trimethoxyphenyl)vinyl]thiadiazole","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(3,4,5-Trimethoxyphenyl)vinyl]thiadiazole","","COC1=CC(=CC(=C1OC)OC)C=CC2=CSN=N2","UAOUSCIUHQDJRQ-SNAWJCMRSA-N","5388287",NA,"PDBC24753","634512","Present"
-"4-[(E)-2-(3,4-Dihydroxyphenyl)ethenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[2-(3,4-Dihydroxy-phenyl)-vinyl]-benzenesulfonamide","","C1=CC(=CC=C1C=CC2=CC(=C(C=C2)O)O)S(=O)(=O)N","YINNBTDWOUMDGY-OWOJBTEDSA-N","5472597",NA,"PDBC24754","720357","Present"
-"4-[(E)-2-(3,4-Dimethoxyphenyl)ethenyl]cinnoline","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(3,4-Dimethoxyphenyl)ethenyl]cinnoline","","COC1=C(C=C(C=C1)C=CC2=CN=NC3=CC=CC=C32)OC","GQWZXIKBGQRNDI-VQHVLOKHSA-N","6418734",NA,"PDBC24755","176656","Present"
-"4-[(E)-2-(3-Pyridyl)vinyl]thiadiazole","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(3-Pyridyl)vinyl]thiadiazole","","C1=CC(=CN=C1)C=CC2=CSN=N2","LWMHWAZGHSVFTL-ONEGZZNKSA-N","5388371",NA,"PDBC24756","635409","Present"
-"4-[(E)-2-(4-Chlorophenyl)ethenyl]thiadiazole","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(4-Chlorophenyl)ethenyl]thiadiazole","","C1=CC(=CC=C1C=CC2=CSN=N2)Cl","YTTTUEKQGQUFAJ-ZZXKWVIFSA-N","5874206",NA,"PDBC24757","635311","Present"
-"4-[(E)-2-(4-Hydroxy-3-methoxy-phenyl)vinyl]-5,5-dimethyl-2-oxo-furan-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-(2-(4-Hydroxy-3-methoxyphenyl)vinyl)-5,5-dimethyl-2-oxo-2,5-dihydro-3-furancarbonitrile","","CC1(C(=C(C(=O)O1)C#N)C=CC2=CC(=C(C=C2)O)OC)C","UTXGSIPKWAJKLC-GQCTYLIASA-N","5798508",NA,"PDBC24758","643814","Present"
-"4-[(E)-2-(4-Nitrophenyl)vinyl]thiadiazole","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(4-Nitrophenyl)vinyl]thiadiazole","","C1=CC(=CC=C1C=CC2=CSN=N2)[N+](=O)[O-]","STAYCBUZFVGGLZ-DAFODLJHSA-N","5388286",NA,"PDBC24759","634511","Present"
-"4-[(E)-2-(6-Bromo-1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-bis(2-chloroethyl)aniline;iodide","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(6-Bromo-1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-bis(2-chloroethyl)aniline;iodide","","CC[N+]1=C(C=CC2=C1C=CC(=C2)Br)C=CC3=CC=C(C=C3)N(CCCl)CCCl.[I-]","LMSDUJRQIULFSE-UHFFFAOYSA-M","54600726",NA,"PDBC24760","640084","Present"
-"4-[(E)-2-(6-Chloro-4-oxo-chromen-3-yl)vinyl]-5,5-dimethyl-2-oxo-furan-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(6-Chloro-4-oxo-chromen-3-yl)vinyl]-5,5-dimethyl-2-oxo-furan-3-carbonitrile","","CC1(C(=C(C(=O)O1)C#N)C=CC2=COC3=C(C2=O)C=C(C=C3)Cl)C","OSJPOPLWXBQLLX-HWKANZROSA-N","5912751",NA,"PDBC24761","648376","Present"
-"4-[(E)-2-(6-Ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(6-Ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline","","CCCN(CCC)C1=CC=C(C=C1)C=CC2=NC3=C(C=C2)C=C(C=C3)OCC","BAXMFOTYCJGOCE-YRNVUSSQSA-N","6300604",NA,"PDBC24762","151888","Present"
-"4-[(E)-2-(7,8-Dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","Benzenamine, 4-[2-(7,8-dimethyl-4-quinolinyl)ethenyl]-N,...","","CC1=C(C2=NC=CC(=C2C=C1)C=CC3=CC=C(C=C3)N(C)C)C","MTVYPMDBRRFFBP-RMKNXTFCSA-N","5952858",NA,"PDBC24763","268617","Present"
-"4-[(E)-2-(o-Tolyl)vinyl]thiadiazole","","","","","","","","","","","","","","","","","","","","4-[(E)-2-(o-Tolyl)vinyl]thiadiazole","","CC1=CC=CC=C1C=CC2=CSN=N2","QFOLZVDBJPNDMF-VOTSOKGWSA-N","5388344",NA,"PDBC24764","635115","Present"
-"4-[(E)-2-Benzyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenol","","","","","","","","","","","","","","","","","","","","4-(2-benzyl-1-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)but-1...","","CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN3CCCC3)CC4=CC=CC=C4","ZQQGJAQVSJHPOA-RMLRFSFXSA-N","10274131",NA,"PDBC24765","783098","Present"
-"4-[(E)-2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenol","","","","","","","","","","","","","","","","","","","","4-[(E)-2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenol","","CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)O","BJMAARQGPMBAAP-OCOZRVBESA-N","5466854",NA,"PDBC24766","644609","Present"
-"4-[(E)-2-Phenylethenyl]-1-(2-phenylethyl)pyridin-1-ium;bromide","","","","","","","","","","","","","","","","","","","","4-[(E)-2-Phenylethenyl]-1-(2-phenylethyl)pyridin-1-ium;bromide","","C1=CC=C(C=C1)CC[N+]2=CC=C(C=C2)C=CC3=CC=CC=C3.[Br-]","MNPBNGTYRPOKRC-CALJPSDSSA-M","54606622",NA,"PDBC24767","167483","Present"
-"4-[(E)-2-[2-Amino-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol","","","","","","","","","","","","","","","","","","","","4,4'-[(2-imino-1,2-dihydropyrimidine-4,6-diyl)diethene-2...","","COC1=C(C=CC(=C1)C=CC2=CC(=NC(=N2)N)C=CC3=CC(=C(C=C3)O)OC)O","JIGBXIHKZXMRHS-FCXRPNKRSA-N","135857212",NA,"PDBC24768","763375","Present"
-"4-[(E)-2-[2-[(E)-2-[4-(Dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;iodide","","","","","","","","","","","","","","","","","","","","4-[(E)-2-[2-[(E)-2-[4-(Dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;iodide","","C[N+]1=C(C=C(C=C1)C=CC2=CC=C(C=C2)N(C)C)C=CC3=CC=C(C=C3)N(C)C.[I-]","HCIKQMMYJWBWCY-UHFFFAOYSA-M","51062575",NA,"PDBC24769","343231","Present"
-"4-[(E)-2-[3-(2-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-2-[3-(2-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one","","CC12CCC3C(C1CCC(=C)C2C=CC4=CCOC4=O)(COC(O3)C5=CC=CC=C5Cl)C","MYDGCSRWEUYRFP-MDZDMXLPSA-N","54613027",NA,"PDBC24770","750040","Present"
-"4-[(E)-2-[3-(3-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-2-[3-(3-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one","","CC12CCC3C(C1CCC(=C)C2C=CC4=CCOC4=O)(COC(O3)C5=CC(=CC=C5)Cl)C","ZNLUOSIDRBVVJZ-CMDGGOBGSA-N","54613026",NA,"PDBC24771","750039","Present"
-"4-[(E)-2-[3-(4-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-2-[3-(4-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one","","CC12CCC3C(C1CCC(=C)C2C=CC4=CCOC4=O)(COC(O3)C5=CC=C(C=C5)Cl)C","WJKGSOWCSCMLPC-JXMROGBWSA-N","54613025",NA,"PDBC24772","750038","Present"
-"4-[(E)-2-[6-[(E)-2-(3,4-Dihydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]benzene-1,2-diol","","","","","","","","","","","","","","","","","","","","4-[(E)-2-[6-[(E)-2-(3,4-Dihydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]benzene-1,2-diol","","C1=CC(=NC(=C1)C=CC2=CC(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O","XGKCKKCXKSYAJN-KBXRYBNXSA-N","135436185",NA,"PDBC24773","711993","Present"
-"4-[(E)-3-(2,6-Dichlorophenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[(E)-3-(2,6-Dichlorophenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)C=CC3=C(C=CC=C3Cl)Cl","CJTJGXOZIMFJGO-VAWYXSNFSA-N","5908269",NA,"PDBC24774","653629","Present"
-"4-[(E)-3-(2-Hydroxyphenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[(E)-3-(2-Hydroxyphenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3O","YMXKBZXHRSRNLM-OUKQBFOZSA-N","6290863",NA,"PDBC24775","653628","Present"
-"4-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]benzonitrile","","C1=CC(=CC=C1C#N)C(=O)C=CC2=CC(=C(C=C2)O)O","XSMHUOPJTRSUAE-XVNBXDOJSA-N","5468164",NA,"PDBC24776","665692","Present"
-"4-[(E)-3-[4-(Dimethylamino)phenyl]prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[(E)-3-[4-(Dimethylamino)phenyl]prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)N(C)C","QJTNUXAMJJRWCA-NTCAYCPXSA-N","5852173",NA,"PDBC24777","653630","Present"
-"4-[(E)-Furan-2-ylmethylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-Furan-2-ylmethylideneamino]-3-methyl-1H-1,2,4-triazol-5-one","","CC1=NNC(=O)N1N=CC2=CC=CO2","CXZYHWHOVKEACL-WEVVVXLNSA-N","9556340",NA,"PDBC24778","698049","Present"
-"4-[(E)-Furan-2-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","","","","","","","","","","","","","","","","","","","4-[(E)-Furan-2-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CO3","CKOVOOSIFLSJCE-NTEUORMPSA-N","9556343",NA,"PDBC24779","698052","Present"
-"4-[(E)-Pyrrolidin-1-ylazo]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[(E)-Pyrrolidin-1-ylazo]benzonitrile","","C1CCN(C1)N=NC2=CC=C(C=C2)C#N","RDVZYERLISWMGZ-UHFFFAOYSA-N","390396",NA,"PDBC24780","687750","Present"
-"4-[(E)-Thiazol-2-yliminomethyl]benzene-1,3-diol","","","","","","","","","","","","","","","","","","","","4-((1E)-2-(1,3-thiazol-2-yl)-2-azavinyl)benzene-1,3-diol","","C1=CC(=C(C=C1O)O)C=NC2=NC=CS2","BIPYEPDCLVYFRD-WUXMJOGZSA-N","135499694",NA,"PDBC24781","697489","Present"
-"4-[(E)-[(4-Bromophenyl)hydrazono]methyl]-2-hydroxy-6,6-dimethyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile","","","","","","","","","","","","","","","","","","","","4-[(E)-[(4-Bromophenyl)hydrazinylidene]methyl]-2-hydroxy-6,6-dimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile","","CC1(C=C(C(=C(C1(C#N)C#N)O)C#N)C=NNC2=CC=C(C=C2)Br)C","GWGPJUFXUQBOOE-NUGSKGIGSA-N","6070439",NA,"PDBC24782","672218","Present"
-"4-[(E)-[(Z)-[3-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]benzene-1,3-diol","","","","","","","","","","","","","","","","","","","","4-(3(2,4-dihydroxybenzylidene)amino)-4-(4-methoxyphenyl)...","","COC1=CC=C(C=C1)C2=CSC(=NN=CC3=C(C=C(C=C3)O)O)N2N=CC4=C(C=C(C=C4)O)O","UFALZDXYDLMPLO-BRLQUVHISA-N","155805711",NA,"PDBC24783","795086","Present"
-"4-[(E)-[1-[3-(2-Chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(E)-[1-[3-(2-Chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3Cl","MGZMNVCGRSQUDH-UHFFFAOYSA-N","387760",NA,"PDBC24784","681814","Present"
-"4-[(E)-[1-[3-(3-Chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(E)-[1-[3-(3-Chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC(=CC=C3)Cl","YJSUCHPDXXJAHQ-UHFFFAOYSA-N","387761",NA,"PDBC24785","681815","Present"
-"4-[(E)-[2-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[(E)-[2-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]-N,N-dimethylaniline","","CN(C)C1=CC=C(C=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC=C(C=C5)N(C)C","ITMNAGYYBOLCJY-DPCVLPDWSA-N","54611485",NA,"PDBC24786","708416","Present"
-"4-[(E)-[3-Methyl-1-[3-(2-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(E)-[3-Methyl-1-[3-(2-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","CC1=CC=CC=C1NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(=O)O","ARKXYEDTRSOTOI-UHFFFAOYSA-N","387763",NA,"PDBC24787","681817","Present"
-"4-[(E)-[3-Methyl-1-[3-(3-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(E)-[3-Methyl-1-[3-(3-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(=O)O","ZIJIGENUTDZKSV-UHFFFAOYSA-N","387764",NA,"PDBC24788","681818","Present"
-"4-[(E)-[3-Methyl-1-[3-(4-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[(E)-[3-Methyl-1-[3-(4-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(=O)O","BXNHLUPSDGPLCF-UHFFFAOYSA-N","387765",NA,"PDBC24789","681819","Present"
-"4-[(E)-[5-(2,4-Dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","4-[(E)-[5-(2,4-Dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione","","CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)N=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl","PTXZTKDVPNPMOG-LQKURTRISA-N","9572366",NA,"PDBC24790","713296","Present"
-"4-[(E)-[5-(2,4-Dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","4-[(E)-[5-(2,4-Dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione","","CC1=NN(C(=S)N1N=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)CN4CCN(CC4)C","XBMYZQQBURDSQL-FSJBWODESA-N","9572365",NA,"PDBC24791","713295","Present"
-"4-[(E)-[5-(4-Bromophenyl)-2-furyl]methyleneamino]-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-[(E)-[5-(4-Bromophenyl)-2-furyl]methyleneamino]-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione","","C1=CC=C(C(=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)C4=CC=C(C=C4)Br)O","HNPKTCWODGCKHV-SRZZPIQSSA-N","135510135",NA,"PDBC24792","638052","Present"
-"4-[(E)-[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","4-[(E)-[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione","","CCC1=NN(C(=S)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)CN4CCOCC4","BHLLLKNFZSZSOA-LPYMAVHISA-N","9572349",NA,"PDBC24793","712910","Present"
-"4-[(E)-[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-[(E)-[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione","","COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C=NNC3=S)[N+](=O)[O-]","NPIKXFPCEMAPOD-FRKPEAEDSA-N","9572705",NA,"PDBC24794","724643","Present"
-"4-[(E)-[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione","","","","","","","","","","","","","","","","","","","","4-[(E)-[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione","","CC1=NNC(=S)N1N=CC2=CC=C(O2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]","MHKOFVOTUFNXMQ-LZYBPNLTSA-N","9572706",NA,"PDBC24795","724644","Present"
-"4-[(Phenylsulfonyl)amino]butanoic acid","","","","","","","","","","","","","","","","","","","","ALBB-025938","","C1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O","MOGAUQWSGDNMAS-UHFFFAOYSA-N","362741",NA,"PDBC24796","626996","Present"
-"4-[(R)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-[(R)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)benzamide","","CCN(CCO)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C","JFQRQSMATKRWQP-UMTXDNHDSA-N","398118",NA,"PDBC24797","707485","Present"
-"4-[(R)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-pentan-3-ylbenzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[(R)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-pentan-3-ylbenzamide;hydrochloride","","CCC(CC)NC(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C.Cl","OYXUPMHVXKKQCQ-NQDMEMLCSA-N","5471112",NA,"PDBC24798","708822","Present"
-"4-[(S)-[(2R,5S)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide","","","","","","","","","","","","","","","","","","","","4-[(S)-[(2R,5S)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide","","CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CC(N(CC3C)CC=C)C","WGIDFDFAOQVAHY-VRUMLPLGSA-N","5471031",NA,"PDBC24799","707480","Present"
-"4-[(Z)-(1,2-Dimethylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","Pyrazolo[1,5-a]indolinium, 4-[[4-(dimethylamino)phenyl]m...","","CC1=[N+](N2C3=CC=CC=C3C(=CC4=CC=C(C=C4)N(C)C)C2=C1)C.C(F)(F)(F)S(=O)(=O)[O-]","ZDRPSZQLMODADQ-UHFFFAOYSA-M","5471038",NA,"PDBC24800","707772","Present"
-"4-[(Z)-(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","NSC683753///NSC683755","","CN1C(=O)C(=CC2=CC=C(C=C2)S(=O)(=O)NN=CC(C(C(C(CO)O)O)O)O)NC1=O","PACJEKLQHDYZPF-WLCSGIKUSA-N","5907331",NA,"PDBC24801","683753///683755","Present"
-"4-[(Z)-(2,5-Dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","NSC683752///NSC683754///NSC683765","","C1=CC(=CC=C1C=C2C(=O)NC(=O)N2)S(=O)(=O)NN=CC(C(C(C(CO)O)O)O)O","YYAPHQMVCCYYTJ-LECNETTESA-N","5933661",NA,"PDBC24802","683752///683754///683765","Present"
-"4-[(Z)-(2,5-Dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5-tetrahydroxypentylideneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","NSC683756///NSC683757","","C1=CC(=CC=C1C=C2C(=O)NC(=O)N2)S(=O)(=O)NN=CC(C(C(CO)O)O)O","NOQUXNGPYJBCQT-LNCZXDSVSA-N","6061698",NA,"PDBC24803","683756///683757","Present"
-"4-[(Z)-(2,5-Dioxoimidazolidin-4-ylidene)methyl]benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","4-[(Z)-(2,5-Dioxoimidazolidin-4-ylidene)methyl]benzenesulfonohydrazide","","C1=CC(=CC=C1C=C2C(=O)NC(=O)N2)S(=O)(=O)NN","BQWPEYQDMHCPQV-YVMONPNESA-N","5469157",NA,"PDBC24804","683744","Present"
-"4-[(Z)-(2-Butylsulfanyl-5-chloroimidazol-4-ylidene)methyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[(Z)-(2-Butylsulfanyl-5-chloroimidazol-4-ylidene)methyl]-N,N-dimethylaniline","","CCCCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C(=N1)Cl","UBJZMMCAZLSXCY-KAMYIIQDSA-N","5470760",NA,"PDBC24805","704878","Present"
-"4-[(Z)-(2-Butylsulfanyl-5-hydrazinylimidazol-4-ylidene)methyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[(Z)-(2-Butylsulfanyl-5-hydrazinylimidazol-4-ylidene)methyl]-N,N-dimethylaniline","","CCCCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C(=N1)NN","AUDBJXYONRXPGJ-KAMYIIQDSA-N","5470751",NA,"PDBC24806","704869","Present"
-"4-[(Z)-(5-Butylsulfanylimidazo[5,1-e]tetrazol-7-ylidene)methyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[(Z)-(5-Butylsulfanylimidazo[5,1-e]tetrazol-7-ylidene)methyl]-N,N-dimethylaniline","","CCCCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C3=NN=NN31","QVAOTNYLVQHLIM-KAMYIIQDSA-N","5470752",NA,"PDBC24807","704870","Present"
-"4-[(Z)-(5-Chloro-2-ethylsulfanylimidazol-4-ylidene)methyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[(Z)-(5-Chloro-2-ethylsulfanylimidazol-4-ylidene)methyl]-N,N-dimethylaniline","","CCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C(=N1)Cl","UHWJFLBSKIQYBM-XFXZXTDPSA-N","5470885",NA,"PDBC24808","706030","Present"
-"4-[(Z)-(5-Ethylsulfanylimidazo[5,1-e]tetrazol-7-ylidene)methyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[(Z)-(5-Ethylsulfanylimidazo[5,1-e]tetrazol-7-ylidene)methyl]-N,N-dimethylaniline","","CCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C3=NN=NN31","NFRDQHVZRHNLSM-XFXZXTDPSA-N","5470882",NA,"PDBC24809","706027","Present"
-"4-[(Z)-(5-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","4-[(Z)-(5-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C(=CC=C3)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","XGORZNIMCBDBEA-UHFFFAOYSA-M","5471991",NA,"PDBC24810","715777","Present"
-"4-[(Z)-(6-Cyano-7-methyl-benzimidazolo[1,2-a][1,8]naphthyridin-5-ylidene)amino]butanoic acid","","","","","","","","","","","","","","","","","","","","4-[(Z)-(6-Cyano-7-methyl-benzimidazolo[1,2-a][1,8]naphthyridin-5-ylidene)amino]butanoic acid","","CN1C2=CC=CC=C2N3C1=C(C(=NCCCC(=O)O)C4=C3N=CC=C4)C#N","ZHTMAUVGJRHJCN-UHFFFAOYSA-N","393026",NA,"PDBC24811","694270","Present"
-"4-[(Z)-(6-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","4-[(Z)-(6-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C=C(C=C3)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","JEZUKWCZEZNHEA-UHFFFAOYSA-M","5469860",NA,"PDBC24812","693572","Present"
-"4-[(Z)-(7-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","4-[(Z)-(7-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C=CC(=C3)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","VXZKCZYQOKYCGI-UHFFFAOYSA-M","5471989",NA,"PDBC24813","715776","Present"
-"4-[(Z)-(Dimethylhydrazinylidene)methyl]-2-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol","","","","","","","","","","","","","","","","","","","","4-[(Z)-(Dimethylhydrazinylidene)methyl]-2-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol","","CN(C)N=CC1=CC(=C(C(=C1)OC)O)C=NN(C)C","ZKGVHKYIQOMBMU-DJJIWSAGSA-N","135436319",NA,"PDBC24814","718162","Present"
-"4-[(Z)-1,2-Dichloro-3-(1,3-dihydrobenzimidazol-2-ylidene)-3-nitroprop-1-enyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[(Z)-1,2-Dichloro-3-(1,3-dihydrobenzimidazol-2-ylidene)-3-nitroprop-1-enyl]morpholine","","C1COCCN1C(=C(C(=C2NC3=CC=CC=C3N2)[N+](=O)[O-])Cl)Cl","CJCLURGDRRUBOM-ACCUITESSA-N","5470204",NA,"PDBC24815","698383","Present"
-"4-[(Z)-1,2-Dichloro-3-imidazolidin-2-ylidene-3-nitroprop-1-enyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[(Z)-1,2-Dichloro-3-imidazolidin-2-ylidene-3-nitroprop-1-enyl]morpholine","","C1CNC(=C(C(=C(N2CCOCC2)Cl)Cl)[N+](=O)[O-])N1","DPQNKDXZWSYIOG-VQHVLOKHSA-N","1101874",NA,"PDBC24816","698385","Present"
-"4-[(Z)-2-(2-Methoxyphenyl)ethenyl]cinnoline","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-(2-Methoxyphenyl)ethenyl]cinnoline","","COC1=CC=CC=C1C=CC2=CN=NC3=CC=CC=C32","PIAAEUOHAZPIHU-KHPPLWFESA-N","54602268",NA,"PDBC24817","231986","Present"
-"4-[(Z)-2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol","","","","","","","","","","","","","","","","","","","","4-[2-(3,4,5-Trimethoxyphenyl)Ethenyl(2)]Phenol","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)O","PGNACKMMQGBVTN-PLNGDYQASA-N","5388061",NA,"PDBC24818","631360","Present"
-"4-[(Z)-2-(3,4,5-Trimethoxyphenyl)ethenyl]pyridine","","","","","","","","","","","","","","","","","","","","(Z) 4-[2-(3,4,4-Trimethoxyphenyl)ethenyl]pyridine","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=NC=C2","NGJDPYNEVBRZTO-PLNGDYQASA-N","5388741",NA,"PDBC24819","638392","Present"
-"4-[(Z)-2-(3-Methoxyphenyl)ethenyl]phenol","","","","","","","","","","","","","","","","","","","","stilbene, 4-hydroxy-4'-methoxy-, (z)-","","COC1=CC=CC(=C1)C=CC2=CC=C(C=C2)O","ZVJLZUWCAUTTBS-WAYWQWQTSA-N","5469252",NA,"PDBC24820","684913","Present"
-"4-[(Z)-2-(3-Methoxyphenyl)ethenyl]quinoline","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-(3-Methoxyphenyl)ethenyl]quinoline","","COC1=CC=CC(=C1)C=CC2=CC=NC3=CC=CC=C23","HNROPYQTKQXJFN-KTKRTIGZSA-N","54605789",NA,"PDBC24821","69599","Present"
-"4-[(Z)-2-(4,6-Dimethylquinolin-2-yl)ethenyl]-N,N-diethylaniline","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-(4,6-Dimethylquinolin-2-yl)ethenyl]-N,N-diethylaniline","","CCN(CC)C1=CC=C(C=C1)C=CC2=NC3=C(C=C(C=C3)C)C(=C2)C","GLWRYJUYFWCCNB-FLIBITNWSA-N","54605076",NA,"PDBC24822","13625","Present"
-"4-[(Z)-2-(5-Nitro-2-furyl)ethenyl]-6-(4-phenylpiperazin-1-yl)-1,5-triazin-2-ylamine","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-(5-nitro-2-furyl)ethenyl]-6-(4-phenylpiperazin-...","","C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N)C=CC4=CC=C(O4)[N+](=O)[O-]","XWMIKHGSRMDQDQ-VURMDHGXSA-N","24205520",NA,"PDBC24823","736075","Present"
-"4-[(Z)-2-(5-Nitro-thiophen-2-yl)ethenyl]-6-(3,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-(3,5,5-trimet...","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C=CC3=CC=C(S3)[N+](=O)[O-]","QPWZPQBTHXDNFA-XQRVVYSFSA-N","24205523",NA,"PDBC24824","736078","Present"
-"4-[(Z)-2-(5-Nitro-thiophen-2-yl)ethenyl]-6-(4-phenylpiperazi n-1-yl)-1,5-triazin-2-ylamine","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-(4-phenylpipe...","","C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N)C=CC4=CC=C(S4)[N+](=O)[O-]","WTCAWLVKUCGNFY-VURMDHGXSA-N","24205521",NA,"PDBC24825","736076","Present"
-"4-[(Z)-2-(5-Nitro-thiophen-2-yl)ethenyl]-6-pyrrolidin-1-yl-1,5-triazin-2-ylamine","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-pyrrolidin-1-...","","C1CCN(C1)C2=NC(=NC(=N2)N)C=CC3=CC=C(S3)[N+](=O)[O-]","RWZGMCJKDYCZBW-HYXAFXHYSA-N","24205524",NA,"PDBC24826","736079","Present"
-"4-[(Z)-2-Phenylethenyl]-6-(3,5-trimethyl-4,5-dihydro-1H-py razol-1-yl)-1,3,5-triazin-2-ylamine","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-phenylethenyl]-6-(3,5,5-trimethyl-4,5-dihydro-1...","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C=CC3=CC=CC=C3","FHZLTRAMOMAPSK-KTKRTIGZSA-N","24205522",NA,"PDBC24827","736077","Present"
-"4-[(Z)-2-Phenylethenyl]-6-(4-phenylpiperazin-1-yl)-1,5-tri azin-2-ylamine","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-phenylethenyl]-6-(4-phenylpiperazin-1-yl)-1,3,5...","","C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N)C=CC4=CC=CC=C4","AINQEKYRAAIKDA-QXMHVHEDSA-N","24205518",NA,"PDBC24828","736073","Present"
-"4-[(Z)-2-[5-[(Z)-2-(3,4-Dihydroxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]benzene-1,2-diol","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-[5-[(Z)-2-(3,4-Dihydroxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]benzene-1,2-diol","","C1=CC(=C(C=C1C=CC2=NN=C(S2)C=CC3=CC(=C(C=C3)O)O)O)O","KAFQFUKQGFVORO-VHOZIDCHSA-N","135505178",NA,"PDBC24829","703322","Present"
-"4-[(Z)-2-[5-[(Z)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]-2-methoxyphenol","","","","","","","","","","","","","","","","","","","","4-[(Z)-2-[5-[(Z)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]-2-methoxyphenol","","COC1=C(C=CC(=C1)C=CC2=NN=C(S2)C=CC3=CC(=C(C=C3)O)OC)O","PCZBKAXPWQZFKL-OZDSWYPASA-N","135505177",NA,"PDBC24830","703321","Present"
-"4-[(Z)-Hydroxyiminomethyl]-2-[(E)-hydroxyiminomethyl]-6-methoxyphenol","","","","","","","","","","","","","","","","","","","","4-[(Z)-Hydroxyiminomethyl]-2-[(E)-hydroxyiminomethyl]-6-methoxyphenol","","COC1=CC(=CC(=C1O)C=NO)C=NO","FZBDFWKLMTWREJ-WIZYTBDYSA-N","135436316",NA,"PDBC24831","718157","Present"
-"4-[(Z)-Indolo[1,2-b]indazol-11-ylidenemethyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[(Z)-Indolo[1,2-b]indazol-11-ylidenemethyl]-N,N-dimethylaniline","","CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3N4C2=C5C=CC=CC5=N4","UHNGVDFOYYUXBZ-HKWRFOASSA-N","5472473",NA,"PDBC24832","719163","Present"
-"4-[(Z)-[(5E)-5-(1,3-Benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]-2-ethoxyphenol","","","","","","","","","","","","","","","","","","","","4-[(Z)-[(5E)-5-(1,3-Benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]-2-ethoxyphenol","","CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=NC3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)Cl)C)O","HYCHBAYNMLAXLQ-CLRATCJESA-N","135436211",NA,"PDBC24833","713651","Present"
-"4-[(Z)-[2-(1-Adamantyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","4-[(Z)-[2-(1-Adamantyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)C56CC7CC(C5)CC(C7)C6.C(F)(F)(F)S(=O)(=O)[O-]","SRUWEDXOSIBNLM-UHFFFAOYSA-M","5470315",NA,"PDBC24834","699475","Present"
-"4-[(Z)-[2-(4-Chlorophenyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","4-[(Z)-[2-(4-Chlorophenyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)Cl.C(F)(F)(F)S(=O)(=O)[O-]","RMWROCHUEFCPKJ-UHFFFAOYSA-M","5351444",NA,"PDBC24835","699479","Present"
-"4-[(Z)-[4-(4-Bromophenyl)-3-(2,4,6-trimethylphenyl)thiazol-2-ylidene]hydrazono]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one","","","","","","","","","","","","","","","","","","","","4-[(Z)-[4-(4-Bromophenyl)-3-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one","","CC1=CC(=C(C(=C1)C)N2C(=CSC2=NN=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C4=CC=C(C=C4)Br)C","DYFJJERSQGKXLB-GXVXDJONSA-N","9555897",NA,"PDBC24836","648908","Present"
-"4-[(Z,3E)-1,2-Dichloro-3-nitro-3-(1,3-oxazolidin-2-ylidene)prop-1-enyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[(Z,3E)-1,2-Dichloro-3-nitro-3-(1,3-oxazolidin-2-ylidene)prop-1-enyl]morpholine","","C1COC(=C(C(=C(N2CCOCC2)Cl)Cl)[N+](=O)[O-])N1","LSKSYJASJJPZNN-FIFLTTCUSA-N","2192609",NA,"PDBC24837","698386","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(2,6-diisopropylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-[2,6-Di(propan-2-yl)phenyl]-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5","SNWBQTFUIPYXSV-UHFFFAOYSA-N","369829",NA,"PDBC24838","642026","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(2,6-dimethylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5","FTIDQNJBYQFDHN-UHFFFAOYSA-N","369823",NA,"PDBC24839","642018","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(2-(hydroxy(oxido)amino)phenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5[N+](=O)[O-]","NXGPSBMKJWIUQL-UHFFFAOYSA-N","369819",NA,"PDBC24840","642014","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(2-cyanophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-[1,1'-Biphenyl]-2-yl-N-(2-cyanophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5C#N","XBUSUHDJJXJPTO-UHFFFAOYSA-N","369825",NA,"PDBC24841","642021","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl","QYLHPFHJVVRQAO-UHFFFAOYSA-N","369827",NA,"PDBC24842","642024","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(3-(hydroxy(oxido)amino)phenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(3-Nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-]","YXKBCIIQJQYDFH-UHFFFAOYSA-N","369826",NA,"PDBC24843","642023","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(3-chloro-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","CC1=C(C=CC=C1Cl)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5","PNIPJUBRKOHMKJ-UHFFFAOYSA-N","369828",NA,"PDBC24844","642025","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(4-(hydroxy(oxido)amino)-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methyl-4-nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5","VIMRAHCTUDYZIT-UHFFFAOYSA-N","369830",NA,"PDBC24845","642027","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(4-chlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=C(C=C5)Cl","BHOBKTKWZATDJW-UHFFFAOYSA-N","369270",NA,"PDBC24846","641001","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","Biphenyl-2-butanamide,  N-(6-ethoxybenzothiazol-2-yl)- ....","","CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC=CC=C5C6=CC=CC=C6","ZEKACKAXHHKHOA-UHFFFAOYSA-N","369263",NA,"PDBC24847","640994","Present"
-"4-[1,1'-Biphenyl]-2-yl-N-(6-methoxy-3H-1lambda~4~,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(6-Methoxy-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC=CC=C5C6=CC=CC=C6","BLJDQTUQBFVYHN-UHFFFAOYSA-N","495041",NA,"PDBC24848","642022","Present"
-"4-[1,1,1,3,3,3-Hexafluoro-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-(2-phenylethyl)amino]propan-2-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[1,1,1,3,3,3-Hexafluoro-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-(2-phenylethyl)amino]propan-2-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one","","CC1CN=C(S1)N(CCC2=CC=CC=C2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)(C(F)(F)F)C(F)(F)F","NMHAUEGEWDUFAM-UHFFFAOYSA-N","401440",NA,"PDBC24849","715100","Present"
-"4-[1,2,3,4,5-Pentakis(phenylmethoxy)pentyl]piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","4-[1,2,3,4,5-Pentakis(phenylmethoxy)pentyl]piperidine-2,6-dione","","C1C(CC(=O)NC1=O)C(C(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6","TYGWBMWKACJZTJ-UHFFFAOYSA-N","386077",NA,"PDBC24850","677662","Present"
-"4-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]-2,5-dichlorobenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]-2,5-dichlorobenzenesulfonic acid","","CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=C(C=C5Cl)S(=O)(=O)O)Cl","RCKFWDXMSHBSSH-UHFFFAOYSA-N","397245",NA,"PDBC24851","704662","Present"
-"4-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid","","CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)S(=O)(=O)O","VNLNLDSLLKBJAI-UHFFFAOYSA-N","397241",NA,"PDBC24852","704658","Present"
-"4-[1-(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]phenol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[1-(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]phenol;hydrochloride","","C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=C(C=C5)O.Cl","DCUGBCKFFUETAZ-UHFFFAOYSA-N","400877",NA,"PDBC24853","713553","Present"
-"4-[1-(4-Aminophenyl)-3,4-diphenyl-1-thienyl]aniline","","","","","","","","","","","","","","","","","","","","4-(1-(4-Aminophenyl)-3,4-diphenyl-1H-1.lambda.~4~-thien-1-yl)phenylamine","","C1=CC=C(C=C1)C2=CS(C=C2C3=CC=CC=C3)(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N","CRJQJLXKIAVCAA-UHFFFAOYSA-N","392992",NA,"PDBC24854","694234","Present"
-"4-[1-Hydroxy-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[1-Hydroxy-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride","","CC(CC1=CC(=CC=C1)OC)NCC(C2=CC(=C(C=C2)O)O)O.Cl","IIZFRUMUROWWKY-UHFFFAOYSA-N","54609294",NA,"PDBC24855","21194","Present"
-"4-[1-{5-Tert-Butoxycarbonylamino-1-[2-(carbamoylmethyl-carbamoyl)-pyrrolidine-1-carbonyl]-pentylcarbamoyl}-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-butyric acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","NSC672436///NSC672437","","CC(C)(C)OC(=O)CCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N3CCCC3C(=O)NCC(=O)N)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46","SBLVFOLUIRWCFR-UHFFFAOYSA-N","383820",NA,"PDBC24856","672436///672437","Present"
-"4-[10-(4-Hydroxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl]cyclohexan-1-ol","","","","","","","","","","","","","","","","","","","","4-[10-(4-Hydroxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl]cyclohexan-1-ol","","C1CCC2C(C1)C3CCCCC3C(C2C4CCC(CC4)O)C5CCC(CC5)O","XCKQBJYVQJFPMD-UHFFFAOYSA-N","334598",NA,"PDBC24857","340256","Present"
-"4-[15-(4-Hydroxy-3-methoxy-phenyl)-1,3,14,16-tetrathiacyclohexacos-2-yl]-2-methoxy-phenol","","","","","","","","","","","","","","","","","","","","4-[15-(4-Hydroxy-3-methoxy-phenyl)-1,3,14,16-tetrathiacyclohexacos-2-yl]-2-methoxy-phenol","","COC1=C(C=CC(=C1)C2SCCCCCCCCCCSC(SCCCCCCCCCCS2)C3=CC(=C(C=C3)O)OC)O","HBDTUTAWRQNCDM-UHFFFAOYSA-N","261816",NA,"PDBC24858","94783","Present"
-"4-[2,2-Diphenyl-1H-imidazole","","","","","","","","","","","","","","","","","","","","4-[2,4-Dimethoxyphenyl-1,2-diphenyl-1H-imidazole","","COC1=C(C=C(C=C1)C2=CN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC","YXXHPSXQGFGZLR-UHFFFAOYSA-N","45029217",NA,"PDBC24859","745615","Present"
-"4-[2,3,4,5-Tetrakis(phenylmethoxy)pentyl]piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","NSC677670///NSC677672","","C1C(CC(=O)NC1=O)CC(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","NYOXXIWFCVGYKA-UHFFFAOYSA-N","386082",NA,"PDBC24860","677670///677672","Present"
-"4-[2,3,4-Tris(phenylmethoxy)butyl]piperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","4-[2,3,4-Tris(benzyloxy)butyl]piperidine-2,6-dione","","C1C(CC(=O)NC1=O)CC(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","WOSIQXBUXBWKIH-UHFFFAOYSA-N","386085",NA,"PDBC24861","677675","Present"
-"4-[2,3-Dichloro-4-[cyclopentyl(methyl)carbamoyl]phenoxy]butanoic acid","","","","","","","","","","","","","","","","","","","","4-[2,3-Dichloro-4-[cyclopentyl(methyl)carbamoyl]phenoxy]butanoic acid","","CN(C1CCCC1)C(=O)C2=C(C(=C(C=C2)OCCCC(=O)O)Cl)Cl","ZYIVNXUEKHUUQO-UHFFFAOYSA-N","360270",NA,"PDBC24862","622295","Present"
-"4-[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethyl]benzene-1,2-diol","","","","","","","","","","","","","","","","","","","","4-[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethyl]benzene-1,2-diol","","C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCC5=CC(=C(C=C5)O)O","WXKWOYVHNCHUOX-UHFFFAOYSA-N","24205774",NA,"PDBC24863","736609","Present"
-"4-[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethyl]phenol","","","","","","","","","","","","","","","","","","","","4-[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethyl]phenol","","C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCC5=CC=C(C=C5)O","VREWPBBKZDUFKM-UHFFFAOYSA-N","24205773",NA,"PDBC24864","736608","Present"
-"4-[2-(1H-Imidazol-4-yl)ethylamino-4-oxobutyl]-10-methyl-3-ph enyl-4H-indolo[3,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one","","","","","","","","","","","","","","","","","","","","4-[2-(1H-imidazol-4-yl)ethylamino-4-oxobutyl]-10-methyl-...","","CN1C2=CC=CC=C2C3=C1N4C(=C(N=N4)C5=CC=CC=C5)N(C3=O)CCCC(=O)NCCC6=CN=CN6","QTKVHGJQEWRSKU-UHFFFAOYSA-N","24205296",NA,"PDBC24865","734970","Present"
-"4-[2-(1H-Indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methyl sulfite","","","","","","","","","","","","","","","","","","","","4-[2-(1H-Indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methyl sulfite","","COS(=O)[O-].CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6","MLAGCKQQXHHVMB-UHFFFAOYSA-M","60147889",NA,"PDBC24866","752837","Present"
-"4-[2-(1H-Indol-3-yl)indolin-1-yl]-4-oxo-butanoic acid","","","","","","","","","","","","","","","","","","","","4-[2-(1H-Indol-3-yl)indolin-1-yl]-4-oxo-butanoic acid","","C1C(N(C2=CC=CC=C21)C(=O)CCC(=O)O)C3=CNC4=CC=CC=C43","UNLYVABGLGMBAE-UHFFFAOYSA-N","364680",NA,"PDBC24867","631313","Present"
-"4-[2-(2,4-Dichlorophenyl)ethyl]morpholine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC639398","","C1COCCN1CCC2=C(C=C(C=C2)Cl)Cl.Cl","MDYJIGKFBWYWPM-UHFFFAOYSA-N","368404",NA,"PDBC24868","639398","Present"
-"4-[2-(2,4-Dimethoxyphenyl)vinyl]quinoline","","","","","","","","","","","","","","","","","","","","AT-051/41206025","","COC1=CC(=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)OC","JWVFZPJNCCZECZ-BQYQJAHWSA-N","5909848",NA,"PDBC24869","69602","Present"
-"4-[2-(2,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[2-(2,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","COC1=CC2=C(CCC3=C2N(C4=C3C=C(C=C4)OC)CCN5CCOCC5)C=C1","YVCHJKSPZZWASZ-UHFFFAOYSA-N","391533",NA,"PDBC24870","690782","Present"
-"4-[2-(2-Hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-[4-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]benzamide","","","","","","","","","","","","","","","","","","","","4-[2-(2-Hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-[4-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]benzamide","","C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5C(SCC5=O)C6=CC=CC=C6O","GNLUEPSZHATBLB-UHFFFAOYSA-N","397140",NA,"PDBC24871","704539","Present"
-"4-[2-(2-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[2-(2-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","COC1=CC2=C(CCC3=C2N(C4=CC=CC=C34)CCN5CCOCC5)C=C1","OADMYZYVJIFDEM-UHFFFAOYSA-N","390898",NA,"PDBC24872","689073","Present"
-"4-[2-(2-Phenylethynyl)phenyl]but-3-yn-1-ol","","","","","","","","","","","","","","","","","","","","4-[2-(2-Phenylethynyl)phenyl]but-3-yn-1-ol","","C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CCCO","UEQOGGZQIRGICM-UHFFFAOYSA-N","24203325",NA,"PDBC24873","727543","Present"
-"4-[2-(2-Pyridyl)ethyl]morpholine","","","","","","","","","","","","","","","","","","","","GRKACIXCRNRVBC-UHFFFAOYSA-N","","C1COCCN1CCC2=CC=CC=N2","GRKACIXCRNRVBC-UHFFFAOYSA-N","95909",NA,"PDBC24874","42645","Present"
-"4-[2-(2-{3-Acetylamino-2-benzyloxy-5-hydroxy-6-[3-(1-nitro-acridin-9-ylamino)-propionyloxy]-tetrahydro-pyran-4-yloxy}-acetylamino)-propionylamino]-4-carbamoyl-butyric acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-[2-[[2-[5-acetamido-3-hydroxy-2-[3-[(1-nitroacridin-9-yl)amino]propanoyloxy]-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-5-amino-5-oxopentanoate","","CC(C(=O)NC(CCC(=O)OC)C(=O)N)NC(=O)COC1C(C(OC(C1O)OC(=O)CCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])OCC5=CC=CC=C5)NC(=O)C","ZQWFCFYDDHUVMS-UHFFFAOYSA-N","374321",NA,"PDBC24875","651845","Present"
-"4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Aniline","","","","","","","","","","","","","","","","","","","","4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Aniline","","COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(C=C2)N","BPIQFCQFIYIISU-UHFFFAOYSA-N","364705",NA,"PDBC24876","631359","Present"
-"4-[2-(3,4,5-Trimethoxyphenyl)ethyl]pyridine","","","","","","","","","","","","","","","","","","","","4-[2-(3,4,5-Trimethoxyphenyl)ethyl]pyridine","","COC1=CC(=CC(=C1OC)OC)CCC2=CC=NC=C2","YQDJYHVGSVYEKW-UHFFFAOYSA-N","368069",NA,"PDBC24877","638397","Present"
-"4-[2-(3,4-Dimethoxynaphthalen-1-yl)-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[2-(3,4-Dimethoxynaphthalen-1-yl)-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline","","CN(C)C1=CC=C(C=C1)C(=CC2=CC(=C(C3=CC=CC=C32)OC)OC)C4=CC=C(C=C4)N(C)C","SJDWDKDOVMYBAH-UHFFFAOYSA-N","356139",NA,"PDBC24878","611229","Present"
-"4-[2-(3,4-Dimethoxyphenyl)ethyl]-11-oxa-4-azatricyclo[6.2.1.01,6]undec-9-ene-3,5-dione","","","","","","","","","","","","","","","","","","","","4-[2-(3,4-Dimethoxyphenyl)ethyl]-11-oxa-4-azatricyclo[6.2.1.01,6]undec-9-ene-3,5-dione","","COC1=C(C=C(C=C1)CCN2C(=O)CC34C=CC(O3)CC4C2=O)OC","GYSJNVIJWYPSLE-UHFFFAOYSA-N","397464",NA,"PDBC24879","705322","Present"
-"4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-benzenesulfonamide","","COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)N)OC","NZYUKAPUIFBGJP-ONEGZZNKSA-N","5472624",NA,"PDBC24880","720516","Present"
-"4-[2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)-2,4-dioxobutanamide","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(=O)C(=O)NC5=CC=C(C=C5)O","QFAYFBIFOWQRFE-UHFFFAOYSA-N","370949",NA,"PDBC24881","644754","Present"
-"4-[2-(3,6-Dioxo-1,4-cyclohexadienyl)vinyl]benzoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)etheny...","","COC(=O)C1=CC=C(C=C1)C=CC2=CC(=O)C=CC2=O","NTYYEKMWOOODIR-QPJJXVBHSA-N","5468990",NA,"PDBC24882","680780","Present"
-"4-[2-(3,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[2-(3,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","COC1=CC2=C(C=C1)C3=C(CC2)C4=C(N3CCN5CCOCC5)C=CC(=C4)OC","QILLSXIKKBYEDP-UHFFFAOYSA-N","391535",NA,"PDBC24883","690784","Present"
-"4-[2-(3-Cyano-5-vinyl-4-pyridyl)ethyl]-5-vinyl-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-[2-(3-Cyano-5-vinyl-4-pyridyl)ethyl]-5-vinyl-pyridine-3-carbonitrile","","C=CC1=CN=CC(=C1CCC2=C(C=NC=C2C=C)C#N)C#N","YYUTVWBHWXJNKJ-UHFFFAOYSA-N","370374",NA,"PDBC24884","643440","Present"
-"4-[2-(3-Hydroxy-phenyl)-vinyl]-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[2-(3-Hydroxy-phenyl)-vinyl]-benzenesulfonamide","","C1=CC(=CC(=C1)O)C=CC2=CC=C(C=C2)S(=O)(=O)N","CPFGYIQVFAEGJS-SNAWJCMRSA-N","5472595",NA,"PDBC24885","720355","Present"
-"4-[2-(3-Methoxy-phenyl)-vinyl]-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[2-(3-Methoxy-phenyl)-vinyl]-benzenesulfonamide","","COC1=CC=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)N","VVJJGULCSHBLBE-AATRIKPKSA-N","5472641",NA,"PDBC24886","720590","Present"
-"4-[2-(3-Pyridinyl)-6-morpholinopyrimidine-4-yl]-1-methyl-3-(3-hydroxy-5-methylphenyl)-1H-pyrazole","","","","","","","","","","","","","","","","","","","","3-methyl-5-(1-methyl-4-(6-morpholino-2-(pyridin-3-yl)pyr...","","CC1=CC(=CC(=C1)O)C2=NN(C=C2C3=CC(=NC(=N3)C4=CN=CC=C4)N5CCOCC5)C","JRQZVGYJEGMKQR-UHFFFAOYSA-N","102140478",NA,"PDBC24887","780369","Present"
-"4-[2-(4,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[2-(4,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","COC1=CC2=C(C=C1)N(C3=C2CCC4=C3C=CC=C4OC)CCN5CCOCC5","APANLSWNXPJUDD-UHFFFAOYSA-N","391536",NA,"PDBC24888","690785","Present"
-"4-[2-(4-Amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazino]-N-(2,6-dimethylphenyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","4-[2-(4-Amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazino]-N-(2,6-dimethylphenyl)-4-oxobutanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NNC2=NN=C(N2N)C","ZYUNDXFUDCYZTM-UHFFFAOYSA-N","364285",NA,"PDBC24889","630303","Present"
-"4-[2-(4-Aminophenyl)-2-adamantyl]aniline","","","","","","","","","","","","","","","","","","","","2,2-bis(4-aminophenyl)adamantane","","C1C2CC3CC1CC(C2)C3(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N","SIRBJVCEJWRRJT-UHFFFAOYSA-N","399965",NA,"PDBC24890","711117","Present"
-"4-[2-(4-Aminophenyl)-2-oxo-ethyl]-2-imino-5-methoxy-8-methyl-6-oxo-3,4-dihydropyrano[3,2-g]chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","4-[2-(4-Aminophenyl)-2-oxoethyl]-2-imino-5-methoxy-8-methyl-6-oxo-3,4-dihydropyrano[3,2-g]chromene-3-carboxamide","","CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(=N)C(C3CC(=O)C4=CC=C(C=C4)N)C(=O)N)OC","VRWBXMASPWFWQD-UHFFFAOYSA-N","393919",NA,"PDBC24891","696892","Present"
-"4-[2-(4-Aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-((2-(4-aminophenyl)benzo[d]imidazo[2,1-b]thiazol-7-yl)...","","CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N4C=C(N=C4S3)C5=CC=C(C=C5)N","VYVAAALMPRKSAQ-UHFFFAOYSA-N","155816838",NA,"PDBC24892","785507","Present"
-"4-[2-(4-Chlorobenzyl)hydrazino]-N-(4-chlorophenyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-[2-[(4-chlorophenyl)methyl]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CC1=C(C(=NC(=O)N1)NNCC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","PGGUWDCNCVYASA-UHFFFAOYSA-N","383462",NA,"PDBC24893","671848","Present"
-"4-[2-(4-Dimethylamino-phenyl)-vinyl]-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[2-(4-Dimethylamino-phenyl)-vinyl]-benzenesulfonamide","","CN(C)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)S(=O)(=O)N","AZJCYZBSMRXCNX-ONEGZZNKSA-N","5472593",NA,"PDBC24894","720352","Present"
-"4-[2-(4-Ethoxyanilino)acetyl]-1,3-dihydroquinoxalin-2-one","","","","","","","","","","","","","","","","","","","","4-[2-(4-Ethoxyanilino)acetyl]-1,3-dihydroquinoxalin-2-one","","CCOC1=CC=C(C=C1)NCC(=O)N2CC(=O)NC3=CC=CC=C32","HGDNBAYVPNUQSR-UHFFFAOYSA-N","374862",NA,"PDBC24895","653322","Present"
-"4-[2-(4-Fluoro-phenyl)-vinyl]-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[2-(4-Fluoro-phenyl)-vinyl]-benzenesulfonamide","","C1=CC(=CC=C1C=CC2=CC=C(C=C2)S(=O)(=O)N)F","WJHBOSSYFGFFPC-OWOJBTEDSA-N","5472587",NA,"PDBC24896","720345","Present"
-"4-[2-(4-Hydroxy-3-methoxy-phenyl)-4-nitro-5-[(E)-phenyliminomethyl]-3-furyl]-2-methoxy-phenol","","","","","","","","","","","","","","","","","","","","4-[2-(4-Hydroxy-3-methoxy-phenyl)-4-nitro-5-[(E)-phenyliminomethyl]-3-furyl]-2-methoxy-phenol","","COC1=C(C=CC(=C1)C2=C(OC(=C2[N+](=O)[O-])C=NC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)O","RTEJNTMHKKJOBQ-UHFFFAOYSA-N","3580140",NA,"PDBC24897","657727","Present"
-"4-[2-(4-Hydroxy-phenyl)-vinyl]-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[2-(4-Hydroxy-phenyl)-vinyl]-benzenesulfonamide","","C1=CC(=CC=C1C=CC2=CC=C(C=C2)S(=O)(=O)N)O","LPEYCTKZJDNFON-OWOJBTEDSA-N","5472594",NA,"PDBC24898","720354","Present"
-"4-[2-(4-Methoxyphenyl)ethenyl]quinoline","","","","","","","","","","","","","","","","","","","","Quinoline, 4-(p-methoxystyryl)- (8CI)","","COC1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23","WWQSNGMSYOYSOC-RMKNXTFCSA-N","5377590",NA,"PDBC24899","69600","Present"
-"4-[2-(4-Methoxyphenyl)ethyl]morpholine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC666127","","COC1=CC=C(C=C1)CCN2CCOCC2.Cl","FQIISQTYCPTLAR-UHFFFAOYSA-N","380512",NA,"PDBC24900","666127","Present"
-"4-[2-(4-Methylphenyl)hydrazinyl]benzotriazol-5-one","","","","","","","","","","","","","","","","","","","","Hit compound, 9","","CC1=CC=C(C=C1)N=NC2=C(C=CC3=NNN=C32)O","LYJIGLUCSHCFJC-UHFFFAOYSA-N","135441716",NA,"PDBC24901","400938","Present"
-"4-[2-(4-Nitrophenyl)acetyl]oxybut-2-ynyl 2-(4-nitrophenyl)acetate","","","","","","","","","","","","","","","","","","","","but-2-yne-1,4-diyl bis[(4-nitrophenyl)acetate]","","C1=CC(=CC=C1CC(=O)OCC#CCOC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","DAQWKMNEKILVHK-UHFFFAOYSA-N","378996",NA,"PDBC24902","662764","Present"
-"4-[2-(5,6-Dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[2-(5,6-Dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","C1CC2=C(C3=CC=CC=C31)N(C4=CC=CC=C24)CCN5CCOCC5","RQQICBVJVOOZOB-UHFFFAOYSA-N","390894",NA,"PDBC24903","689069","Present"
-"4-[2-(5,6-Dioxopyridin-3-yl)hydrazinyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[2-(5,6-Dioxopyridin-3-yl)hydrazinyl]benzenesulfonamide","","C1=CC(=CC=C1N=NC2=CNC(=O)C(=C2)O)S(=O)(=O)N","YAEIFDMGOZPQFZ-UHFFFAOYSA-N","281376",NA,"PDBC24904","134159","Present"
-"4-[2-(5-Cyano-6-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","4-[2-(5-Cyano-6-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide","","CCC1=C(C(=O)NC(=O)N1CCN2CCN(CC2)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C(=C(C(=O)NC4=O)C#N)CC)C#N","UVQBUEWLCDYDFA-UHFFFAOYSA-N","362011",NA,"PDBC24905","625515","Present"
-"4-[2-(5-Cyano-6-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-methyl-2,4-dioxopyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","4-[2-(5-Cyano-6-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-methyl-2,4-dioxopyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide","","CC1=C(C(=O)NC(=O)N1CCN2CCN(CC2)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C(=C(C(=O)NC4=O)C#N)C)C#N","GDJQNRFJAJCAOK-UHFFFAOYSA-N","362010",NA,"PDBC24906","625514","Present"
-"4-[2-(6,6-Dimethyl-3-bicyclo[3.1.1]hept-3-enyl)ethyl]morpholine","","","","","","","","","","","","","","","","","","","","4-(2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-3-yl)ethyl)morpholine","","CC1(C2CC1C=C(C2)CCN3CCOCC3)C","XCCKSPXZRUJKEI-UHFFFAOYSA-N","386469",NA,"PDBC24907","678495","Present"
-"4-[2-(8-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[2-(8-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine","","COC1=CC2=C(C=C1)N(C3=C2CCC4=CC=CC=C43)CCN5CCOCC5","MACHPZBLQHWORH-UHFFFAOYSA-N","391532",NA,"PDBC24908","690781","Present"
-"4-[2-(Benzenesulfonyl)-2-diazo-acetyl]oxybut-2-ynyl 2-(benzenesulfonyl)-2-diazo-acetate","","","","","","","","","","","","","","","","","","","","4-[2-(Benzenesulfonyl)-2-diazo-acetyl]oxybut-2-ynyl 2-(benzenesulfonyl)-2-diazo-acetate","","C1=CC=C(C=C1)S(=O)(=O)C(=[N+]=[N-])C(=O)OCC#CCOC(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2","FVEMJQGRAKGDDB-UHFFFAOYSA-N","379008",NA,"PDBC24909","662775","Present"
-"4-[2-(Cyclopropylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one","","","","","","","","","","","","","","","","","","","","2-Cyclopropylamino-4-(7-methoxy-2-oxo-3,4-dihydroquinoxa...","","COC1=CC2=C(C=C1)N(CC(=O)N2)C3=NC(=NC4=CC=CC=C43)NC5CC5","FRPPIQVXSWLPGY-UHFFFAOYSA-N","137651044",NA,"PDBC24910","786095","Present"
-"4-[2-(Diethylamino)ethyl]-1,11-dimethyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8-trione;hydrochloride","","","","","","","","","","","","","","","","","","","","7,9-dimethyl-2-[2-(diethylamino)-ethyl]-4,7-ethano-1H-is...","","CCN(CC)CCN1C(=O)C2C3C(CC(C2C1=O)(CC3=O)C)C.Cl","CJXVQDURKPDETC-UHFFFAOYSA-N","24205639",NA,"PDBC24911","736304","Present"
-"4-[2-(Dimethylamino)ethylimino]-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-10-one","","","","","","","","","","","","","","","","","","","","4-(2-Dimethylaminoethylamino)-3,3a-dihydro-1H-thiazolo[4,3-c][1,4]benzodiazepin-10-one","","CN(C)CCN=C1C2CSCN2C(=O)C3=CC=CC=C3N1","UKKLPUCNARPLGD-UHFFFAOYSA-N","135399280",NA,"PDBC24912","683491","Present"
-"4-[2-(Dimethylamino)ethylimino]-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","","","","","","","","","","","","","","","","","","","4-[2-(Dimethylamino)ethylimino]-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","CN(C)CCN=C1C2CSCN2C(=S)C3=CC=CC=C3N1","MXJYUEKPJBHDJO-UHFFFAOYSA-N","135442871",NA,"PDBC24913","683492","Present"
-"4-[2-(Dimethylamino)vinyl]benzo[g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","Benzo[g]quinoline-5,10-dione, 4-[2-(dimethylamino) ethen...","","CN(C)C=CC1=C2C(=NC=C1)C(=O)C3=CC=CC=C3C2=O","NTLIWPYGVYOIRB-CSKARUKUSA-N","5469342",NA,"PDBC24914","686556","Present"
-"4-[2-(Ethylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one","","","","","","","","","","","","","","","","","","","","2-Ethylamino-4-(7-methoxy-2-oxo-3,4-dihydroquinoxalin - ...","","CCNC1=NC2=CC=CC=C2C(=N1)N3CC(=O)NC4=C3C=CC(=C4)OC","XLBSCEPOSNTQJB-UHFFFAOYSA-N","137653815",NA,"PDBC24915","786096","Present"
-"4-[2-(Quinolin-6-yl)ethenyl]aniline","","","","","","","","","","","","","","","","","","","","AT-051/43421285","","C1=CC2=C(C=CC(=C2)C=CC3=CC=C(C=C3)N)N=C1","RQJHZUPUOIVGNP-ONEGZZNKSA-N","5936795",NA,"PDBC24916","79139","Present"
-"4-[2-(Quinolin-7-yl)ethenyl]aniline","","","","","","","","","","","","","","","","","","","","AT-051/43421286","","C1=CC2=C(C=C(C=C2)C=CC3=CC=C(C=C3)N)N=C1","QAQIFRYHRUVXEJ-ONEGZZNKSA-N","5937681",NA,"PDBC24917","79140","Present"
-"4-[2-Amino-6-(2-methyl-1H-indol-3-yl)pyrimidin-4-yl]-6-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","4-[2-Amino-6-(2-methyl-1H-indol-3-yl)pyrimidin-4-yl]-6-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine","","CC1=C(C2=CC=CC=C2N1)C3=NC(=NC(=C3)C4=CC(=NC(=N4)N)C5=C(NC6=CC=CC=C65)C)N","TXGMWEKIVABCRZ-UHFFFAOYSA-N","340803",NA,"PDBC24918","371884","Present"
-"4-[2-Amino-6-(3-nitrophenyl)pyrimidin-4-yl]-6-(3-nitrophenyl)pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","6,6'-bis(3-nitrophenyl)-4,4'-bipyrimidine-2,2'-diamine","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=NC(=N2)N)C3=NC(=NC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])N","GHSPYTWXNOLPEX-UHFFFAOYSA-N","340799",NA,"PDBC24919","371880","Present"
-"4-[2-Carboxy-5-[(3-cyanophenyl)carbamoyl]benzoyl]-2-[(3-cyanophenyl)carbamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[2-Carboxy-5-[(3-cyanophenyl)carbamoyl]benzoyl]-2-[(3-cyanophenyl)carbamoyl]benzoic acid","","C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)NC4=CC=CC(=C4)C#N)C#N","VCLLMLULIOZSIT-UHFFFAOYSA-N","365550",NA,"PDBC24920","633256","Present"
-"4-[2-Chloro-2-(3,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboylic dimethyl ester","","","","","","","","","","","","","","","","","","","","4-[2-Chloro-2-(3,4-dichloro-phenyl)-vinyl]-2,6-dimethyl-...","","CC1=C(C(C(=C(N1)C)C(=O)OC)C=C(C2=CC(=C(C=C2)Cl)Cl)Cl)C(=O)OC","DPEAWYLALVJGPN-ZSOIEALJSA-N","24205333",NA,"PDBC24921","735167","Present"
-"4-[2-Chloro-2-(4-fluorophenyl)vinyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile","","","","","","","","","","","","","","","","","","","","4-[2-Chloro-2-(4-fluoro-phenyl)-vinyl]-2,6-dimethyl-1,4-...","","CC1=C(C(C(=C(N1)C)C#N)C=C(C2=CC=C(C=C2)F)Cl)C#N","RNHZSKZFHNXQEG-IDUWFGFVSA-N","11836130",NA,"PDBC24922","735166","Present"
-"4-[2-Cyclohexyl-1-[4-(difluoromethoxy)cyclohexyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole","","","","","","","","","","","","","","","","","","","","4-[2-cyclohexyl-1-[4-(difluoromethoxy)cyclohexyl]-8-meth...","","CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=N4)C5CCCCC5)C6CCC(CC6)OC(F)F)OC","DQCZEDSCBCCKJB-UHFFFAOYSA-N","122470640",NA,"PDBC24923","782169","Present"
-"4-[2-Hydroxy-2-(2-hydroxy-4,6-dimethylcyclohexyl)ethyl]-1-phenylpiperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","4-[2-Hydroxy-2-(2-hydroxy-4,6-dimethylcyclohexyl)ethyl]-1-phenylpiperidine-2,6-dione","","CC1CC(C(C(C1)O)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)C","JPYMPXICULCYPW-UHFFFAOYSA-N","359829",NA,"PDBC24924","621396","Present"
-"4-[2-Hydroxy-2-(2-hydroxy-5-methylcyclohexyl)ethyl]-1-methylpiperidine-2,6-dione","","","","","","","","","","","","","","","","","","","","4-[2-Hydroxy-2-(2-hydroxy-5-methylcyclohexyl)ethyl]-1-methylpiperidine-2,6-dione","","CC1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)C)O)O","PBSIIRNQYORHCK-UHFFFAOYSA-N","359827",NA,"PDBC24925","621394","Present"
-"4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-ethoxymethyl]-benzoic acid","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[2-(1H-imidazol-1-yl)-1-[[(4-methoxyphe...","","COC1=CC=C(C=C1)COCC(CN2C=CN=C2)OCC3=CC=C(C=C3)C(=O)O","HZUHJKIQXMNCDR-UHFFFAOYSA-N","368695",NA,"PDBC24926","639827","Present"
-"4-[2-[(2,4-Difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-((2-(3-(2,4-difluorophenyl)ureido)quinolin-5-yl)oxy)-N...","","CNC(=O)C1=NC=CC(=C1)OC2=CC=CC3=C2C=CC(=N3)NC(=O)NC4=C(C=C(C=C4)F)F","OJDNIHNKMQKCMK-UHFFFAOYSA-N","142739462",NA,"PDBC24927","780953","Present"
-"4-[2-[(2,6-Dichlorophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]butanoic acid","","","","","","","","","","","","","","","","","","","","4-(2-(2,6-dichlorobenzylthio)-4-oxothieno[3,2-d]pyrimidi...","","C1=CC(=C(C(=C1)Cl)CSC2=NC3=C(C(=O)N2CCCC(=O)O)SC=C3)Cl","NUFUXLJPXPEOFQ-UHFFFAOYSA-N","155805412",NA,"PDBC24928","780720","Present"
-"4-[2-[(3Z)-3-[(4-Chlorophenyl)methylidene]-5-(4-ethylphenyl)-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-{2-[3-(4-Chloro-benzylidene)-5-(4-ethyl-phenyl)-2-oxo-...","","CCC1=CC=C(C=C1)C2=CC(=CC3=CC=C(C=C3)Cl)C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N","WAFVXKZLDXNLPA-QJOMJCCJSA-N","155816774",NA,"PDBC24929","784511","Present"
-"4-[2-[(4-Methylphenylsulfonyl)carbamoylamino]ethyl]pyrocatechol","","","","","","","","","","","","","","","","","","","","4-[2-[(4-Methylphenylsulfonyl)carbamoylamino]ethyl]pyrocatechol","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC(=C(C=C2)O)O","NYYUEQQQNDUTBJ-UHFFFAOYSA-N","395828",NA,"PDBC24930","700720","Present"
-"4-[2-[1,5-Bis(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]-1,5-dimethyl-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[2-[1,5-Bis(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]-1,5-dimethyl-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC=C(N3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC","SNVMLHLEYXAOEP-UHFFFAOYSA-N","24204076",NA,"PDBC24931","730537","Present"
-"4-[2-[2-(1,2,3,4-Tetrahydrocarbazol-9-yl)ethoxy]ethyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[2-[2-(1,2,3,4-Tetrahydrocarbazol-9-yl)ethoxy]ethyl]morpholine","","C1CCC2=C(C1)C3=CC=CC=C3N2CCOCCN4CCOCC4","FKRKRHIPSUIIKR-UHFFFAOYSA-N","383806",NA,"PDBC24932","672342","Present"
-"4-[2-[2-(4-Aminophenyl)ethyldisulfanyl]ethyl]aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[2-[2-(4-Aminophenyl)ethyldisulfanyl]ethyl]aniline;hydrochloride","","C1=CC(=CC=C1CCSSCCC2=CC=C(C=C2)N)N.Cl","ZGTRFKUQRPPUFQ-UHFFFAOYSA-N","400733",NA,"PDBC24933","713166","Present"
-"4-[2-[2-(4-Carbamimidoylanilino)ethoxy]ethylamino]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","1,5-bis[(4-amidinophenyl)amino]-3-oxapentane dihydrochlo...","","C1=CC(=CC=C1C(=N)N)NCCOCCNC2=CC=C(C=C2)C(=N)N.Cl","JSDJMXJOLQPQAM-UHFFFAOYSA-N","24206088",NA,"PDBC24934","740025","Present"
-"4-[2-[2-(4-Hydroxyphenyl)tellanylethylamino]ethyltellanyl]phenol","","","","","","","","","","","","","","","","","","","","4-[2-[2-(4-Hydroxyphenyl)tellanylethylamino]ethyltellanyl]phenol","","C1=CC(=CC=C1O)[Te]CCNCC[Te]C2=CC=C(C=C2)O","OMXYQZCVUQVOJG-UHFFFAOYSA-N","371625",NA,"PDBC24935","646023","Present"
-"4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]benzonitrile","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=C(C=C2)C#N","RZCDFYXPAIMELK-UHFFFAOYSA-N","24205409",NA,"PDBC24936","735438","Present"
-"4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol","","","","","","","","","","","","","","","","","","","","4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=C(C=C2)O","ZTMMUWGZXNOEOD-UHFFFAOYSA-N","24205412",NA,"PDBC24937","735441","Present"
-"4-[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 4-[3-[2-[2-chloro-4-(4,...","","CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F","AURVLUQOYPAJHS-UHFFFAOYSA-N","276187",NA,"PDBC24938","123469","Present"
-"4-[2-[2-Prop-2-enyl-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[2-[2-Prop-2-enyl-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]benzoic acid","","C=CCC1=C(C=CC(=C1)C2=NC(=S)NN2)N=NNC3=CC=C(C=C3)C(=O)O","QXDJHBQAKYTEPG-UHFFFAOYSA-N","135426747",NA,"PDBC24939","715978","Present"
-"4-[2-[2-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]hydrazinyl]-1,3-thiazol-4-yl]benzene-1,2-diol","","","","","","","","","","","","","","","","","","","","4-[2-[2-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]hydrazinyl]-1,3-thiazol-4-yl]benzene-1,2-diol","","C1C(=CC2=CC3=C(C=C2)OCO3)SC(=N1)NNC4=NC(=CS4)C5=CC(=C(C=C5)O)O","UEGDLHFZAGTLQE-ACAGNQJTSA-N","6418506",NA,"PDBC24940","657593","Present"
-"4-[2-[4-(Diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-N-[4-[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]phenyl]benzamide","","","","","","","","","","","","","","","","","","","","4-[2-[4-(Diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-N-[4-[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]phenyl]benzamide","","CCN(CC)C1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5C(SCC5=O)C6=CC=C(C=C6)N(CC)CC","DPCFACMOQFGJRP-UHFFFAOYSA-N","397141",NA,"PDBC24941","704540","Present"
-"4-[2-[4-[3-(4-Chlorophenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[2-[4-[3-(4-Chlorophenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine","","C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)OCCN5CCOCC5)C6=CC=C(C=C6)Cl","USGMCRSXSSPJHQ-UHFFFAOYSA-N","399072",NA,"PDBC24942","709483","Present"
-"4-[2-[4-[3-(4-Methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[2-[4-[3-(4-Methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine","","COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OCCN6CCOCC6","LXORPZDNCDYNIX-UHFFFAOYSA-N","399071",NA,"PDBC24943","709482","Present"
-"4-[2-[5-Fluoro-3-[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine","","","","","","","","","","","","","","","","","","","","3-{2-[5-Fluoro-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]...","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)F)CCN6CCOCC6","YIISCJMAQKBCLR-UHFFFAOYSA-N","155807114",NA,"PDBC24944","793980","Present"
-"4-[2-[Methyl-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[2-[Methyl-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]aniline hydrochloride","","CN(CCC1=CC=C(C=C1)N)C2CCCCC2N3CCCC3.Cl","QAYFTOGVAYBEIF-GRTNUQQKSA-N","398088",NA,"PDBC24945","707453","Present"
-"4-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dione","","","","","","","","","","","","","","","","","","","","4-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dione","","C1=C(C=C(C=C1C(F)(F)F)N2C(=O)N=NC2=O)C(F)(F)F","XYTGQZZBWOWKTA-UHFFFAOYSA-N","391932",NA,"PDBC24946","691612","Present"
-"4-[3-(1,3-Benzoxazol-2-yl)-1H-indol-2-yl]phenol","","","","","","","","","","","","","","","","","","","","4-(3-(benzo[d]oxazol-2-yl)-1H-indol-2-yl) phenol","","C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)O)C4=NC5=CC=CC=C5O4","GQPGUGOYNGZEEI-UHFFFAOYSA-N","136068403",NA,"PDBC24947","761942","Present"
-"4-[3-(1,3-Diphenylpyrazol-4-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[5-(1,3-diphenyl-1H-pyrazol-4-yl)-3-(4-methylphenyl)-4...","","CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)S(=O)(=O)N","LVVXZNFMTRKBQM-UHFFFAOYSA-N","46703499",NA,"PDBC24948","776800","Present"
-"4-[3-(1H-Indol-3-yl)-6-thioxo-4,5-dihydro-1H-pyridazin-5-yl]-3-methyl-1,4-dihydropyrazol-5-one","","","","","","","","","","","","","","","","","","","","4-[3-(1H-Indol-3-yl)-6-thioxo-4,5-dihydro-1H-pyridazin-5-yl]-3-methyl-1,4-dihydropyrazol-5-one","","CC1=NNC(=O)C1C2CC(=NNC2=S)C3=CNC4=CC=CC=C43","YVGSPAVLFMRTFE-UHFFFAOYSA-N","3005332",NA,"PDBC24949","691829","Present"
-"4-[3-(2-Hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-...","","C1C(N(N=C1C2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4O","ZFBMWUVGZOCNSG-UHFFFAOYSA-N","155811474",NA,"PDBC24950","772680","Present"
-"4-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]benzenesulfonamide","","C1=CC(=CC=C1NC(=S)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N","BHRYPOLBQHIEFD-UHFFFAOYSA-N","5470529",NA,"PDBC24951","702685","Present"
-"4-[3-(3,4-Dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]-N-pyrazin-2-ylbenzamide","","","","","","","","","","","","","","","","","","","","4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]-N-pyrazin-2-ylbenzamide","","C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)NC4=NC=CN=C4","JWQQPUFFARWDTJ-UHFFFAOYSA-N","24205286",NA,"PDBC24952","734949","Present"
-"4-[3-(4-Chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]aniline","","","","","","","","","","","","","","","","","","","","4-(5-(4-chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-...","","C1C(N(N=C1C2=CC=C(C=C2)N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","BDFVHIQTRCJDGQ-UHFFFAOYSA-N","155808391",NA,"PDBC24953","773050","Present"
-"4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=C(C=C5)Cl","ZMJNYMIAQGVLGY-UHFFFAOYSA-N","24204750",NA,"PDBC24954","732731","Present"
-"4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide","","C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)S(=O)(=O)N","BGWIPENYCKLGFA-UHFFFAOYSA-N","24204751",NA,"PDBC24955","732732","Present"
-"4-[3-(4-Chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]benzenesulfonamide","","C1=CC(=CC=C1C2=NN(C(=C2)C3=C(C=CC(=C3)O)O)C4=CC=C(C=C4)S(=O)(=O)N)Cl","KAIDEVVTQJWUKU-UHFFFAOYSA-N","135585510",NA,"PDBC24956","731813","Present"
-"4-[3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[3-(4-chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]benzenesulfonamide","","COC1=CC(=C(C=C1)OC)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Cl","FFRBEYUQPOJYOG-UHFFFAOYSA-N","24204421",NA,"PDBC24957","731805","Present"
-"4-[3-(4-Chlorophenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","3-(2-Hydroxy-4-methoxyphenyl)-5-(4-Chlorophenyl)-1-(4-su...","","COC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N)O","UPKHLAYDTZVLHX-UHFFFAOYSA-N","135960834",NA,"PDBC24958","747563","Present"
-"4-[3-(4-Methoxyphenyl)-4,9-dioxobenzo[f]benzimidazol-2-yl]butanoic acid","","","","","","","","","","","","","","","","","","","","4-[1-(4-Methoxyphenyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl]butanoic acid","","COC1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCCC(=O)O","YFVZBGDXVGBVPX-UHFFFAOYSA-N","382884",NA,"PDBC24959","670761","Present"
-"4-[3-(4-Methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[3-(4-Methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide","","CC1=CC=C(C=C1)C2=C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)N","AVXMUMZPFXCHDZ-UHFFFAOYSA-N","24204768",NA,"PDBC24960","732750","Present"
-"4-[3-(Dibutylamino)propyl]-10-methyl-3-phenyl-4H-indolo[3,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one","","","","","","","","","","","","","","","","","","","","4-[3-(dibutylamino)propyl]-10-methyl-3-phenyl-4H-indolo[...","","CCCCN(CCCC)CCCN1C2=C(N=NN2C3=C(C1=O)C4=CC=CC=C4N3C)C5=CC=CC=C5","IRBIDSSCMZPFBK-UHFFFAOYSA-N","24205298",NA,"PDBC24961","734972","Present"
-"4-[3-(Diethylamino)propylamino]-N-(9-ethylcarbazol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-[3-(Diethylamino)propylamino]-N-(9-ethylcarbazol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CCN1C2=C(C=C(C=C2)NC(=O)C3=C(NC(=O)N=C3NCCCN(CC)CC)C)C4=CC=CC=C41","CDMYBDWRCDQGDG-UHFFFAOYSA-N","392188",NA,"PDBC24962","692315","Present"
-"4-[3-Chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[3-Chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C3=O)Cl)C4=CC=C(C=C4)Cl","KOJQRLDHZSNCTP-UHFFFAOYSA-N","403605",NA,"PDBC24963","718658","Present"
-"4-[3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C3=O)Cl)C4=CC(=C(C=C4)O)OC","AHWKWGATQGIXES-UHFFFAOYSA-N","403606",NA,"PDBC24964","718659","Present"
-"4-[3-Chloro-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[3-Chloro-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C3=O)Cl)C=CC4=CC=CC=C4","SBQGZHQEWIAIDO-BUHFOSPRSA-N","5472423",NA,"PDBC24965","718660","Present"
-"4-[3-Chloro-6-(1H-indol-3-yl)-4,5-dihydropyridazin-4-yl]-3-methyl-1,4-dihydropyrazol-5-one","","","","","","","","","","","","","","","","","","","","4-[3-Chloro-6-(1H-indol-3-yl)-4,5-dihydropyridazin-4-yl]-3-methyl-1,4-dihydropyrazol-5-one","","CC1=NNC(=O)C1C2CC(=NN=C2Cl)C3=CNC4=CC=CC=C43","MDUITUKXEMODLB-UHFFFAOYSA-N","392035",NA,"PDBC24966","691834","Present"
-"4-[3-Ethoxycarbonyl-2-methyl-5-(4-nitrophenyl)pyrrol-1-yl]-2-hydroxybenzoic acid","","","","","","","","","","","","","","","","","","","","4-[3-Ethoxycarbonyl-2-methyl-5-(4-nitrophenyl)pyrrol-1-yl]-2-hydroxybenzoic acid","","CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)C(=O)O)O)C","TWZMVJGZZBYAKV-UHFFFAOYSA-N","45029113",NA,"PDBC24967","745471","Present"
-"4-[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzonitrile","","","","","","","","","","","","","","","","","","","","4-[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzonitrile","","C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2OC4=CC=C(C=C4)C#N","KDJCGHYRLYAELA-UHFFFAOYSA-N","388001",NA,"PDBC24968","682364","Present"
-"4-[3-[(6Ar)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]but-1-en-2-yl]-N-(2-aminophenyl)-N-methylbenzamide","","","","","","","","","","","","","","","","","","","","4-[3-[(6Ar)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]but-1-en-2-yl]-N-(2-aminophenyl)-N-methylbenzamide","","CC(C(=C)C1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2N)N3C4=CC=CC=C4C(=O)N5CCCC5C3=O","QZLGNGGTBXOXGO-MQBBKVSDSA-N","24205527",NA,"PDBC24969","736100","Present"
-"4-[3-[(6Ar)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]prop-1-en-2-yl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[3-[(6Ar)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]prop-1-en-2-yl]benzoic acid","","C=C(CN1C2=CC=CC=C2C(=O)N3CCCC3C1=O)C4=CC=C(C=C4)C(=O)O","IBVUWCVOSMUGBR-LJQANCHMSA-N","24205529",NA,"PDBC24970","736103","Present"
-"4-[3-[(E)-N-Hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol","","","","","","","","","","","","","","","","","","","","4-[3-[(E)-N-Hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol","","CC(=NO)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4","YSGKLRLZNFIBON-CVKSISIWSA-N","24205371",NA,"PDBC24971","735322","Present"
-"4-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol","","","","","","","","","","","","","","","","","","","","4-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol","","CC(=NOC)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4","YIZACHMFXPPPJM-JVWAILMASA-N","24205372",NA,"PDBC24972","735323","Present"
-"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F","BXXPJERGGYGDPP-UHFFFAOYSA-N","277241",NA,"PDBC24973","125844","Present"
-"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride","","","","","","","","","","","","","","","","","","","","4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCNC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C","ZJBYSLCJGWDCGS-UHFFFAOYSA-N","274726",NA,"PDBC24974","120925","Present"
-"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Benzenesulfonyl fluoride, 4-[[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-, monoethanesulfonate (9CI)","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C","YIQWJOQMMAKAOO-UHFFFAOYSA-N","276171",NA,"PDBC24975","123461","Present"
-"4-[3-[2-[3-(4-Hydroxybut-2-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]but-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","4-[3-[2-[3-(4-Hydroxybut-2-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]but-2-yn-1-ol","","C1=CC=C(C(=C1)C#CCOCC#CCO)C#CCOCC#CCO","KFKUUUVQNVGLKM-UHFFFAOYSA-N","24204380",NA,"PDBC24976","731648","Present"
-"4-[3-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(3-(4-(dimethylamino)phenyl)-5-(4-methoxyphenyl)-4,5-d...","","CN(C)C1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)S(=O)(=O)N","UOGQZVTZTMRSJQ-UHFFFAOYSA-N","44143699",NA,"PDBC24977","754832","Present"
-"4-[3-[5-Methoxy-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]propyl]morpholine","","","","","","","","","","","","","","","","","","","","3-{2-[5-Methoxy-1-(3-morpholin-4-yl-propyl)-1H-indol-3-y...","","COC1=CC2=C(C=C1)N(C=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5)CCCN6CCOCC6","XGMRYQLYHMSRBJ-UHFFFAOYSA-N","155816540",NA,"PDBC24978","789184","Present"
-"4-[3-[5-[2-(4-Carboxyphenyl)prop-2-enyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-en-2-yl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[3-[5-[2-(4-Carboxyphenyl)prop-2-enyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-en-2-yl]benzoic acid","","CN1C(=O)C(C(=O)N(C1=O)C)(CC(=C)C2=CC=C(C=C2)C(=O)O)CC(=C)C3=CC=C(C=C3)C(=O)O","SMEHOWYRRKLGPS-UHFFFAOYSA-N","24205530",NA,"PDBC24979","736104","Present"
-"4-[3-[Benzyl(methyl)amino]prop-1-en-2-yl]-N-[4-[3-[benzyl(methyl)amino]prop-1-en-2-yl]phenyl]benzamide","","","","","","","","","","","","","","","","","","","","4-[3-[Benzyl(methyl)amino]prop-1-en-2-yl]-N-[4-[3-[benzyl(methyl)amino]prop-1-en-2-yl]phenyl]benzamide","","CN(CC1=CC=CC=C1)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=C)CN(C)CC4=CC=CC=C4","VURHTUCAXQNBRU-UHFFFAOYSA-N","24205283",NA,"PDBC24980","734946","Present"
-"4-[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-enoxy]naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","4-{[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-en-1-yl]oxy}naphthalene-1,2-dione","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)OCC=C(C(F)(F)F)C(F)(F)F","OOGQXVQTCYZOFF-UHFFFAOYSA-N","276502",NA,"PDBC24981","124499","Present"
-"4-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]morpholine","","","","","","","","","","","","","","","","","","","","4-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]morpholine","","CC1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C(O2)(C)C)N5CCOCC5","BRLBHHZTVVFJQM-UHFFFAOYSA-N","403565",NA,"PDBC24982","718589","Present"
-"4-[4,4-Dimethyl-6-[4-(trifluoromethyl)phenyl]-3,5-dihydroimidazo[4,5-e]indazol-2-yl]phenol","","","","","","","","","","","","","","","","","","","","4-[4,4-Dimethyl-6-[4-(trifluoromethyl)phenyl]-3,5-dihydroimidazo[4,5-e]indazol-2-yl]phenol","","CC1(CC2=C(C=NN2C3=CC=C(C=C3)C(F)(F)F)C4=C1NC(=N4)C5=CC=C(C=C5)O)C","CQNHABMVUKDEHC-UHFFFAOYSA-N","399254",NA,"PDBC24983","709930","Present"
-"4-[4,6-Bis(4-cyano-1,2,5-thiadiazol-3-yl)-1,3,5-triazin-2-yl]-1,2,5-thiadiazole-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-[4,6-Bis(4-cyano-1,2,5-thiadiazol-3-yl)-1,3,5-triazin-2-yl]-1,2,5-thiadiazole-3-carbonitrile","","C(#N)C1=NSN=C1C2=NC(=NC(=N2)C3=NSN=C3C#N)C4=NSN=C4C#N","XIYCCFAOCMHBJK-UHFFFAOYSA-N","386857",NA,"PDBC24984","679599","Present"
-"4-[4,6-Diamino-2-(4-chlorophenyl)-2H-1,3,5-triazin-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[4,6-Diamino-2-(4-chlorophenyl)-1,3,5-triazin-1(2H)-yl...","","C1=CC(=CC=C1C2N=C(N=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)N)Cl","PQCVHDDRCNRMGD-UHFFFAOYSA-N","272645",NA,"PDBC24985","117268","Present"
-"4-[4-(1,3-Benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-[4-(1,3-benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid","","CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)S(=O)(=O)O","XYCSFNVRMIKZEM-UHFFFAOYSA-N","397248",NA,"PDBC24986","704665","Present"
-"4-[4-(2,3-Dihydrofuro[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one","","","","","","","","","","","","","","","","","","","","4-[4-(2,3-Dihydrofuro[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one","","CC(=O)CCC1=CC=C(C=C1)OC2=C3CCOC3=NC4=CC=CC=C42","KJLIGVYYYRFJGG-UHFFFAOYSA-N","406552",NA,"PDBC24987","724700","Present"
-"4-[4-(2-Diethylamino-ethylamino)-naphthalen-1-ylazo]-benzene sulfonamide","","","","","","","","","","","","","","","","","","","","4-[4-(2-Diethylamino-ethylamino)-naphthalen-1-ylazo]-ben...","","CCN(CC)CCNC1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)N","KQJWIJQJDJWTKK-UHFFFAOYSA-N","405486",NA,"PDBC24988","722837","Present"
-"4-[4-(2-Dimethylaminoethyloxy)phenyl]-3-phenoxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","4-[4-(2-Dimethylaminoethyloxy)phenyl]-3-phenoxy-chromen-2-one","","CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=CC=CC=C32)OC4=CC=CC=C4","DQZSHZDMLKJXCU-UHFFFAOYSA-N","395149",NA,"PDBC24989","699449","Present"
-"4-[4-(2-Dimethylaminoethyloxy)phenyl]-7-methoxy-3-phenoxy-chromen-2-one","","","","","","","","","","","","","","","","","","","","4-[4-(2-Dimethylaminoethyloxy)phenyl]-7-methoxy-3-phenoxy-chromen-2-one","","CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC)OC4=CC=CC=C4","TYQNNJLZHAAOEJ-UHFFFAOYSA-N","395151",NA,"PDBC24990","699451","Present"
-"4-[4-(3,5-Dicyano-2,6-dihydroxy-1,4-dihydropyridin-4-yl)phenyl]-2,6-dihydroxy-1,4-dihydropyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","4-[4-(3,5-dicyano-2,6-dihydroxy-1,4-dihydropyridin-4-yl)phenyl]-2,6-dihydroxy-1,4-dihydropyridine-3,5-dicarbonitrile","","C1=CC(=CC=C1C2C(=C(NC(=C2C#N)O)O)C#N)C3C(=C(NC(=C3C#N)O)O)C#N","INJYGRLNWITMQL-UHFFFAOYSA-N","367262",NA,"PDBC24991","636809","Present"
-"4-[4-(3-Methoxyphenyl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine","","","","","","","","","","","","","","","","","","","","4-[4-(3-Methoxy-phenyl)-piperazin-1 -yl]-5H-pyrrolo[3,2-...","","COC1=CC=CC(=C1)N2CCN(CC2)C3=NC=NC4=C3NC=C4","VHLTXILSFZDVKM-UHFFFAOYSA-N","155815900",NA,"PDBC24992","754824","Present"
-"4-[4-(4-Chlorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-2-oxopyran-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-[4-(4-Chlorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-carbonitrile","","COC1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C#N)N3CCN(CC3)C4=CC=C(C=C4)Cl","ZYDZUNWXNWKUMC-UHFFFAOYSA-N","360621",NA,"PDBC24993","622926","Present"
-"4-[4-(4-Pyridin-4-ylphenoxy)phenyl]pyridine","","","","","","","","","","","","","","","","","","","","4,4'-[Oxybis(4,1-phenylene)]dipyridine","","C1=CC(=CC=C1C2=CC=NC=C2)OC3=CC=C(C=C3)C4=CC=NC=C4","GYAUMGYIJNUMIZ-UHFFFAOYSA-N","399433",NA,"PDBC24994","710272","Present"
-"4-[4-(Dibutylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[4-(Dibutylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride","","CCCCN(CCCC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl","CJRPCHQWAFGBMM-UHFFFAOYSA-N","24184222",NA,"PDBC24995","33577","Present"
-"4-[4-(Diethoxyphosphorylamino)phenyl]aniline","","","","","","","","","","","","","","","","","","","","4-Amino-4'-((diethoxyphosphoryl)amino)-1,1'-biphenyl","","CCOP(=O)(NC1=CC=C(C=C1)C2=CC=C(C=C2)N)OCC","VJQOMAZWQYXSAU-UHFFFAOYSA-N","392914",NA,"PDBC24996","694097","Present"
-"4-[4-(Diethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[4-(Diethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride","","CCN(CC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl","ZQATZGWJGHPQTI-UHFFFAOYSA-N","54609218",NA,"PDBC24997","33566","Present"
-"4-[4-(Diethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-[4-(Diethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","CCN(CC)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3CCC(CC3)O)C4=CC(=C(C(=C4)OC)OC)OC","YYQHKAJBNHVYSL-UHFFFAOYSA-N","60148088",NA,"PDBC24998","753601","Present"
-"4-[4-(Diethylamino)phenyl]-2-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","4-[4-(Diethylamino)phenyl]-2-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","CCN(CC)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3CCOCC3)C4=CC(=C(C(=C4)OC)OC)OC","XUQAUNXRYZECGE-UHFFFAOYSA-N","54613256",NA,"PDBC24999","748668","Present"
-"4-[4-(Dimethylamino)phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","4-[4-(Dimethylamino)phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=CC=C4OC","JWSRXQLLLYCHGB-UHFFFAOYSA-N","367675",NA,"PDBC25000","637606","Present"
-"4-[4-(Methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol","","","","","","","","","","","","","","","","","","","","4-[4-(Methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol","","CNC1=C2C=NN(C2=NC=N1)CCCCO","FSJLWDSYKMSNCZ-UHFFFAOYSA-N","391135",NA,"PDBC25001","689861","Present"
-"4-[4-Benzothiazol-2-yl-2-(4-hydroxyphenyl)butan-2-yl]phenol","","","","","","","","","","","","","","","","","","","","4-[4-Benzothiazol-2-yl-2-(4-hydroxyphenyl)butan-2-yl]phenol","","CC(CCC1=NC2=CC=CC=C2S1)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","IVBASDRKBCHBSP-UHFFFAOYSA-N","234772",NA,"PDBC25002","35334","Present"
-"4-[4-Histidine-1-oxobutyl-glicyl]-10-methyl-3-phenyl-4H-indo lo[3,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one methyl ester","","","","","","","","","","","","","","","","","","","","4-[4-Histidine-1-oxobutyl-glicyl]-10-methyl-3-phenyl-4H-...","","CN1C2=CC=CC=C2C3=C1N4C(=C(N=N4)C5=CC=CC=C5)N(C3=O)CCCC(=O)NCC(=O)NC(CC6=CN=CN6)C(=O)OC","BTJLTTHXZICQGJ-UHFFFAOYSA-N","24205304",NA,"PDBC25003","734979","Present"
-"4-[4-Hydroxy-3-(methylaminomethyl)-5-prop-2-enylphenyl]-2-(methylaminomethyl)-6-prop-2-enylphenol","","","","","","","","","","","","","","","","","","","","3,3'-Bis[(methylamino)methyl]-5,5'-di(prop-2-en-1-yl)biphenyl-4,4'-diol","","CNCC1=CC(=CC(=C1O)CC=C)C2=CC(=C(C(=C2)CNC)O)CC=C","BUUTYQNDDUUDJX-UHFFFAOYSA-N","230579",NA,"PDBC25004","25648","Present"
-"4-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]anthra[1,2-g]pteridine-1,3-dione","","","","","","","","","","","","","","","","","","","","4-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]anthra[1,2-g]pteridine-1,3-dione","","C1C(C(OC1N2C3=NC4=C(C5=CC6=CC=CC=C6C=C5C=C4)N=C3C(=O)NC2=O)CO)O","NGPQAQPGFXJSES-UHFFFAOYSA-N","387292",NA,"PDBC25005","680986","Present"
-"4-[4-Methyl-5-(3-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","","","","","","","","","","","","","","","","","","","4-[4-Methyl-5-(3-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F","ZHNGVQVGFZPSCO-UHFFFAOYSA-N","382359",NA,"PDBC25006","669829","Present"
-"4-[4-Methyl-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","","","","","","","","","","","","","","","","","","","4-[4-Methyl-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","CN1C(OC(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)C(F)(F)F","GYIAORFPKPYVLG-UHFFFAOYSA-N","382360",NA,"PDBC25007","669830","Present"
-"4-[4-Methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[4-Methyl-6-[(4-methyl-2-morpholino-6-quinolyl)methyl]-2-quinolyl]morpholine","","CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)N5CCOCC5)N6CCOCC6.Cl","DSTHWDYPNZDVPU-UHFFFAOYSA-N","54603831",NA,"PDBC25008","13726","Present"
-"4-[4-N,2,3]Triazolo[1,5-a]pyrimidin-5(10H)-one","","","","","","","","","","","","","","","","","","","","4-[4-N,N'-dicyclohexylcarbamidyl-4-oxobutyl]-10-methyl-3...","","CN1C2=CC=CC=C2C3=C1N4C(=C(N=N4)C5=CC=CC=C5)N(C3=O)CCCC(=O)OC(=NC6CCCCC6)NC7CCCCC7","VGRTWBULUUCGKE-UHFFFAOYSA-N","24205297",NA,"PDBC25009","734971","Present"
-"4-[4-N,2-e][1,2,3]Triazolo[1,5-a]pyrimidin-5(10H)-one","","","","","","","","","","","","","","","","","","","","4-[4-N,N'-dicyclohexylcarbamidyl-1-oxobutyl-glicyl]-10-m...","","CN1C2=CC=CC=C2C3=C1N4C(=C(N=N4)C5=CC=CC=C5)N(C3=O)CCCC(=O)NCC(=O)OC(=NC6CCCCC6)NC7CCCCC7","VJKLMGJDTHEJKA-UHFFFAOYSA-N","24205303",NA,"PDBC25010","734978","Present"
-"4-[4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]-N-[4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]benzamide","","","","","","","","","","","","","","","","","","","","4-[4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]-N-[4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]benzamide","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5C(SCC5=O)C6=CC(=C(C(=C6)OC)OC)OC","YMIWUCXELNHXGB-UHFFFAOYSA-N","397139",NA,"PDBC25011","704538","Present"
-"4-[4-[(4-Benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol","","","","","","","","","","","","","","","","","","","","4-[4-[(4-Benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol","","C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN(N=N4)CCCCO","JKAPMTFJFBHHBU-UHFFFAOYSA-N","396575",NA,"PDBC25012","703064","Present"
-"4-[4-[(4-Methoxypyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol","","","","","","","","","","","","","","","","","","","","4-[4-[(4-Methoxypyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol","","COC1=NC=NC2=C1C=NN2CC3=CN(N=N3)CCCCO","FAELBTLRRBUTOE-UHFFFAOYSA-N","396579",NA,"PDBC25013","703068","Present"
-"4-[4-[(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol","","","","","","","","","","","","","","","","","","","","4-[4-[(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol","","CSC1=NC=NC2=C1C=NN2CC3=CN(N=N3)CCCCO","STCFMFGGAATXJS-UHFFFAOYSA-N","396574",NA,"PDBC25014","703063","Present"
-"4-[4-[(E)-N-Hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol","","","","","","","","","","","","","","","","","","","","4-[4-[(E)-N-Hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol","","CC(=NO)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4","AQVOIBXLIULZML-CVKSISIWSA-N","24205369",NA,"PDBC25015","735320","Present"
-"4-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol","","","","","","","","","","","","","","","","","","","","4-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol","","CC(=NOC)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4","DGUQUQGCOQLOPG-JVWAILMASA-N","24205370",NA,"PDBC25016","735321","Present"
-"4-[4-[2,6-Dimethyl-3,5-bis(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","4-[4-[2,6-Dimethyl-3,5-bis(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5)C)C)C(=O)NC6=CC=CC=C6)C(=O)NC7=CC=CC=C7","URUXXQCTJFCFMU-UHFFFAOYSA-N","365832",NA,"PDBC25017","633907","Present"
-"4-[4-[2,6-Dimethyl-3,5-bis[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","4-[4-[2,6-Dimethyl-3,5-bis[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5C)C)C)C(=O)NC6=CC=CC=C6C)C(=O)NC7=CC=CC=C7C)C)C","LUBHFUQJKFZRDL-UHFFFAOYSA-N","365837",NA,"PDBC25018","633912","Present"
-"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCOC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C","JHXDQJJJAKQCFS-UHFFFAOYSA-N","278509",NA,"PDBC25019","128187","Present"
-"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoyl]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with p-[[4-[2-chloro-4-(4,6-...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C","ITBUXWUKJVGXMF-UHFFFAOYSA-N","276432",NA,"PDBC25020","124232","Present"
-"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with p-[4-[2-chloro-4-(4,6-d...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C","GHBCEECNIZMRMK-UHFFFAOYSA-N","278062",NA,"PDBC25021","127159","Present"
-"4-[4-[3,5-Bis[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","4-[4-[3,5-Bis[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5OC)C)C)C(=O)NC6=CC=CC=C6OC)C(=O)NC7=CC=CC=C7OC","JJZQKBVBBIPVKW-UHFFFAOYSA-N","365845",NA,"PDBC25022","633919","Present"
-"4-[4-[3-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]butyl]morpholine","","","","","","","","","","","","","","","","","","","","3-{2-[1-(4-Morpholin-4-yl-butyl)-1H-indol-3-yl]-thiazol-...","","C1COCCN1CCCCN2C=C(C3=CC=CC=C32)C4=NC(=CS4)C5=CNC6=C5C=CC=N6","CMNKNFBOBKVCMU-UHFFFAOYSA-N","155808529",NA,"PDBC25023","789193","Present"
-"4-[4-[3-[4-[4-Amino-2-(trifluoromethyl)phenoxy]phenyl]-1-adamantyl]phenoxy]-3-(trifluoromethyl)aniline","","","","","","","","","","","","","","","","","","","","1,3-Bis[4-(2-trifluoromethyl-4-aminphenoxy)phenyl]adaman...","","C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=C(C=C(C=C5)N)C(F)(F)F)C6=CC=C(C=C6)OC7=C(C=C(C=C7)N)C(F)(F)F","VHHCGLVSQLNSLN-UHFFFAOYSA-N","397909",NA,"PDBC25024","706834","Present"
-"4-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl Fluoride","","","","","","","","","","","","","","","","","","","","4-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl Fluoride","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C","VVUOPZCCHACXLH-UHFFFAOYSA-N","270832",NA,"PDBC25025","113918","Present"
-"4-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with p-[4-[p-(4,6-diamino-2,...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)N)N)C","KRQMCFVEXGYDGI-UHFFFAOYSA-N","275908",NA,"PDBC25026","123032","Present"
-"4-[4-[4-Formyl-1-(p-tolylsulfonyl)pyrrol-3-yl]-1-(p-tolylsulfonyl)pyrrol-3-yl]-1-(p-tolylsulfonyl)pyrrole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","4-[4-[4-Formyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-1-(4-methylphenyl)sulfonylpyrrole-3-carbaldehyde","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C3=CN(C=C3C4=CN(C=C4C=O)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C)C=O","WJXCHWPRVRZIDC-UHFFFAOYSA-N","386828",NA,"PDBC25027","679536","Present"
-"4-[4-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-[4-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","XXZBXMCALOWXBV-NDEPHWFRSA-N","398965",NA,"PDBC25028","709359","Present"
-"4-[4-[[3-[[1-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate","","","","","","","","","","","","","","","","","","","","4-[4-[[3-[[1-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate","","CC(=O)OCCCCN1C=C(N=N1)CN2C=CC(=O)N(C2=O)CC3=CN(N=N3)CCCCOC(=O)C","DAKHMKHTGZDATP-UHFFFAOYSA-N","392026",NA,"PDBC25029","691825","Present"
-"4-[4-[[4-(4-Hydroxyphenyl)iminocyclohexylidene]-phenyl-methyl]anilino]phenol","","","","","","","","","","","","","","","","","","","","4-[4-[[4-(4-Hydroxyphenyl)iminocyclohexylidene]-phenyl-methyl]anilino]phenol","","C1CC(=NC2=CC=C(C=C2)O)CCC1=C(C3=CC=CC=C3)C4=CC=C(C=C4)NC5=CC=C(C=C5)O","MAFHCFUQJXUHPU-UHFFFAOYSA-N","392987",NA,"PDBC25030","694229","Present"
-"4-[4-[[4-(Benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]butan-1-ol","","","","","","","","","","","","","","","","","","","","4-[4-[[4-(Benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]butan-1-ol","","C1=CC=C(C=C1)CNC2=C3C=NN(C3=NC=N2)CC4=CN(N=N4)CCCCO","FDUBNFBJZLRWNL-UHFFFAOYSA-N","396577",NA,"PDBC25031","703066","Present"
-"4-[4-[[4-(Methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]butan-1-ol","","","","","","","","","","","","","","","","","","","","4-[4-[[4-(Methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]butan-1-ol","","CNC1=C2C=NN(C2=NC=N1)CC3=CN(N=N3)CCCCO","XSXPNJDPUFIBTG-UHFFFAOYSA-N","396576",NA,"PDBC25032","703065","Present"
-"4-[5'-(3-Carboxypropanoyl)-6,6'-diethyl-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-[5'-(3-Carboxypropanoyl)-6,6'-diethyl-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoic acid","","CCC1=C(C=C2CC3(CC2=C1)CC4=CC(=C(C=C4C3)C(=O)CCC(=O)O)CC)C(=O)CCC(=O)O","OAAQWVPVUYSZGV-UHFFFAOYSA-N","382642",NA,"PDBC25033","670290","Present"
-"4-[5'-(3-Carboxypropanoyl)-6,6'-dimethyl-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4,4'-(5,5'-Dimethyl-1,1',3,3'-tetrahydro-2,2'-spirobi[in...","","CC1=CC2=C(CC3(C2)CC4=C(C3)C=C(C(=C4)C)C(=O)CCC(=O)O)C=C1C(=O)CCC(=O)O","QHNYABPUIBSVSH-UHFFFAOYSA-N","382643",NA,"PDBC25034","670291","Present"
-"4-[5,5-Bis(dodecoxymethyl)-1,3-dioxan-2-yl]aniline","","","","","","","","","","","","","","","","","","","","4-[5,5-Bis(dodecoxymethyl)-1,3-dioxan-2-yl]aniline","","CCCCCCCCCCCCOCC1(COC(OC1)C2=CC=C(C=C2)N)COCCCCCCCCCCCC","HERDGYCVUSCERP-UHFFFAOYSA-N","393135",NA,"PDBC25035","694537","Present"
-"4-[5-(1,4-Benzoquinonyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[3-(4-Chlorophenyl)-5-(3,6-dioxocyclohexa-1,4-dien-1-yl)pyrazol-1-yl]benzenesulfonamide","","C1=CC(=CC=C1C2=NN(C(=C2)C3=CC(=O)C=CC3=O)C4=CC=C(C=C4)S(=O)(=O)N)Cl","DRJABONNZWUMCN-UHFFFAOYSA-N","24204413",NA,"PDBC25036","731748","Present"
-"4-[5-(1,4-Benzoquinonyl)-3-p-tolyl-pyrazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide","","CC1=CC=C(C=C1)C2=NN(C(=C2)C3=CC(=O)C=CC3=O)C4=CC=C(C=C4)S(=O)(=O)N","URKDNKMYDJCCMD-UHFFFAOYSA-N","24204410",NA,"PDBC25037","731745","Present"
-"4-[5-(1H-Indol-3-yl)-2-oxo-3H-furan-3-yl]-3-methyl-1,4-dihydropyrazol-5-one","","","","","","","","","","","","","","","","","","","","4-[5-(1H-Indol-3-yl)-2-oxo-3H-furan-3-yl]-3-methyl-1,4-dihydropyrazol-5-one","","CC1=NNC(=O)C1C2C=C(OC2=O)C3=CNC4=CC=CC=C43","NMGCSYOUHTZNJN-UHFFFAOYSA-N","392040",NA,"PDBC25038","691839","Present"
-"4-[5-(2,4-Dichloro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","","","","","","","","","","","","","","","","","","","4-[5-(2,4-Dichloro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","CN1C(OC(=N1)C2=CC=NC=C2)C3=C(C=C(C=C3)Cl)Cl","FLYVBNCFEUSJFX-UHFFFAOYSA-N","382361",NA,"PDBC25039","669831","Present"
-"4-[5-(2,5-Dihydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[5-(2,5-dihydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide","","C1=CC=C(C=C1)C2=NN(C(=C2)C3=C(C=CC(=C3)O)O)C4=CC=C(C=C4)S(=O)(=O)N","JGVJTXTUUVAGRN-UHFFFAOYSA-N","135585507",NA,"PDBC25040","731810","Present"
-"4-[5-(2,5-Dimethoxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[5-(2,5-dimethoxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide","","COC1=CC(=C(C=C1)OC)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4","GKKOHFNFILFMOY-UHFFFAOYSA-N","24204420",NA,"PDBC25041","731804","Present"
-"4-[5-(2-Fluoro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","","","","","","","","","","","","","","","","","","","4-[5-(2-Fluoro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","CN1C(OC(=N1)C2=CC=NC=C2)C3=CC=CC=C3F","XMEPQIBLZBGBTL-UHFFFAOYSA-N","382357",NA,"PDBC25042","669827","Present"
-"4-[5-(3,4-Dichloro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","","","","","","","","","","","","","","","","","","","4-[5-(3,4-Dichloro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)Cl)Cl","GXTUBWJNQSMKQQ-UHFFFAOYSA-N","382362",NA,"PDBC25043","669832","Present"
-"4-[5-(3,4-Dimethoxy-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","","","","","","","","","","","","","","","","","","","4-[5-(3,4-Dimethoxy-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)OC)OC","UGOAZFTURQHSCA-UHFFFAOYSA-N","382363",NA,"PDBC25044","669833","Present"
-"4-[5-(3,4-Dimethoxyphenyl)-2-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-pyrazol-3-yl]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[5-(3,4-Dimethoxyphenyl)-2-(3,4,5-trimethoxybenzoyl)-3...","","COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","MURGIROGZCWTKA-UHFFFAOYSA-N","60147774",NA,"PDBC25045","752398","Present"
-"4-[5-(3,5-Dichlorophenyl)thiophen-2-yl]benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","NSC782011","","C1=CC(=CC=C1C2=CC=C(S2)C3=CC(=CC(=C3)Cl)Cl)C(=N)N","MTQCTKUZWFFJJW-UHFFFAOYSA-N","137633112",NA,"PDBC25046","782011","Present"
-"4-[5-(3,5-Dihydropyrazol-1-yl]-N-carbamoylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[5-(3,5-bis(trifluoromethyl)phenyl)-3-(trifluoromethyl...","","C1C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NC(=O)N)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","VRHDSMAPPIMGKO-UHFFFAOYSA-N","45029311",NA,"PDBC25047","746098","Present"
-"4-[5-(3,5-Dimethoxyphenyl)thiophen-2-yl]benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","NSC782010","","COC1=CC(=CC(=C1)C2=CC=C(S2)C3=CC=C(C=C3)C(=N)N)OC","TZXWJBNPRNXSTH-UHFFFAOYSA-N","137631435",NA,"PDBC25048","782010","Present"
-"4-[5-(3-Fluoro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","","","","","","","","","","","","","","","","","","","4-[5-(3-Fluoro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine","","CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=CC=C3)F","DYWOOPBDKMDOHC-UHFFFAOYSA-N","382358",NA,"PDBC25049","669828","Present"
-"4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid","","","","","","","","","","","","","","","","","","","","PENTAMIDINE ISETHIONATE///NSC757400","","C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O","NYRHYBFMOOPIRI-UHFFFAOYSA-N","359323",NA,"PDBC25050","620107///757400","Present"
-"4-[5-(4-Chlorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]aniline","","","","","","","","","","","","","","","","","","","","4-(5-(4-chlorophenyl)-5H-thiazolo[3,2-a]pyrimidin-7-yl)a...","","C1=CC(=CC=C1C2C=C(N=C3N2C=CS3)C4=CC=C(C=C4)N)Cl","DXIXQDDLWTTWGM-UHFFFAOYSA-N","155806710",NA,"PDBC25051","765911","Present"
-"4-[5-(4-Fluorophenyl)thiophen-2-yl]benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","NSC782012","","C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(C=C3)F)C(=N)N","OOBDIZGEBQWOEF-UHFFFAOYSA-N","137643263",NA,"PDBC25052","782012","Present"
-"4-[5-(5,7-Difluoro-1H-indol-3-yl)-1H-tetraazol-1-yl]phenyl methyl ether","","","","","","","","","","","","","","","","","","","","5,7-Difluoro-3-[1-(4-methoxy-phenyl)-1H-tetrazol-5-yl]-1...","","COC1=CC=C(C=C1)N2C(=NN=N2)C3=CNC4=C3C=C(C=C4F)F","YGKXWDVYATVVPU-UHFFFAOYSA-N","135488361",NA,"PDBC25053","735174","Present"
-"4-[5-(Phenyl)-3-(methylselenocyanide) pyrazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[5-(phenyl)-3-(methylselenocyanide) pyrazol-1-yl]benze...","","C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C[Se]C#N","IGBJWNFJSAPHDY-UHFFFAOYSA-N","24770674",NA,"PDBC25054","750100","Present"
-"4-[5-(Thiophen-2-YL)furan-2-YL]benzamidine","","","","","","","","","","","","","","","","","","","","NSC766345","","C1=CSC(=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N","JMZXONZXMMRWAZ-UHFFFAOYSA-N","76315600",NA,"PDBC25055","766345","Present"
-"4-[5-[3-(4-Hydroxyphenyl)isoxazol-5-yl]isoxazol-3-yl]phenol","","","","","","","","","","","","","","","","","","","","Phenol, 4,4'-(5,5'-biisoxazole-3,3'-diyl)bis-","","C1=CC(=CC=C1C2=NOC(=C2)C3=CC(=NO3)C4=CC=C(C=C4)O)O","FENPYQKUQYDICF-UHFFFAOYSA-N","386651",NA,"PDBC25056","679108","Present"
-"4-[5-[4-(5-Pyridin-4-ylfuran-2-yl)phenyl]furan-2-yl]pyridine","","","","","","","","","","","","","","","","","","","","4-[5-[4-[5-(4-Pyridyl)-2-furyl]phenyl]-2-furyl]pyridine","","C1=CC(=CC=C1C2=CC=C(O2)C3=CC=NC=C3)C4=CC=C(O4)C5=CC=NC=C5","JEUTWEAYQYYYBF-UHFFFAOYSA-N","399432",NA,"PDBC25057","710271","Present"
-"4-[5-[8-(5-Morpholino-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazol-2-yl]morpholine","","","","","","","","","","","","","","","","","","","","4-[5-[8-(5-Morpholino-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazol-2-yl]morpholine","","C1COCCN1C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)N4CCOCC4","UUMDYLZGADOCMC-UHFFFAOYSA-N","394065",NA,"PDBC25058","697183","Present"
-"4-[5-[[3-[[3-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate","","","","","","","","","","","","","","","","","","","","4-[5-[[3-[[3-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate","","CC(=O)OCCCCN1C(=CN=N1)CN2C=CC(=O)N(C2=O)CC3=CN=NN3CCCCOC(=O)C","IEYRVVPANVPJNX-UHFFFAOYSA-N","392027",NA,"PDBC25059","691826","Present"
-"4-[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]butyric acid","","","","","","","","","","","","","","","","","","","","4-{[6-(2-Fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8-yl]oxy}butanoic acid","","C1OC2=C(O1)C=C3C(=C2)C(=CC(=N3)C4=CC=CC=C4F)OCCCC(=O)O","NTFGUMGSLPDPCZ-UHFFFAOYSA-N","388495",NA,"PDBC25060","683478","Present"
-"4-[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]butyric acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 4-{[6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8-yl]oxy}butanoate","","CCOC(=O)CCCOC1=CC(=NC2=CC3=C(C=C21)OCO3)C4=CC=CC=C4F","SXJPAUFFSLFCNK-UHFFFAOYSA-N","388496",NA,"PDBC25061","683479","Present"
-"4-[6-(2-Isopropylidenehydrazino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxy-phenol","","","","","","","","","","","","","","","","","","","","2,6-Dimethoxy-4-[7-methyl-6-(2-propan-2-ylidenehydrazinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol","","CC1C(C2=CC3=C(C=C2OC1NN=C(C)C)OCO3)C4=CC(=C(C(=C4)OC)O)OC","YUBASNZYWLTYMW-UHFFFAOYSA-N","383137",NA,"PDBC25062","671178","Present"
-"4-[6-(3,5-Dioxo-1,2,4-triazolidin-4-yl)hexyl]-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4,4'-hexane-1,6-diylbis(1,2,4-triazolidine-3,5-dione)","","C(CCCN1C(=O)NNC1=O)CCN2C(=O)NNC2=O","ZDOGUWIVRFSTHQ-UHFFFAOYSA-N","392326",NA,"PDBC25063","692602","Present"
-"4-[6-(4-Fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol","","","","","","","","","","","","","","","","","","","","4-[6-(4-Fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol","","C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)C5=CC=C(C=C5)O)F","IYEWNQRTRQMJNK-UHFFFAOYSA-N","135585388",NA,"PDBC25064","726267","Present"
-"4-[6-(4-Fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol","","","","","","","","","","","","","","","","","","","","4-[6-(4-Fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol","","C1=CC(=CC=C1C2=NN=C3N2N=C(S3)C4=CC=C(C=C4)F)O","RBWBUHCIBBWHHG-UHFFFAOYSA-N","135585387",NA,"PDBC25065","726266","Present"
-"4-[6-(4-Hydroxyphenyl)hexyl]phenol","","","","","","","","","","","","","","","","","","","","Phenol, 4,4'-(1,6-hexanediyl)bis-","","C1=CC(=CC=C1CCCCCCC2=CC=C(C=C2)O)O","AYADRHKBOQJWQG-UHFFFAOYSA-N","90481",NA,"PDBC25066","19781","Present"
-"4-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine","","","","","","","","","","","","","","","","","","","","4-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine","","CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)N5CCOCC5","WFJIDFUCJINXPL-UHFFFAOYSA-N","382367",NA,"PDBC25067","669886","Present"
-"4-[6-[3-[2-(4-Aminophenyl)benzo[h]quinazolin-6-yl]phenyl]benzo[h]quinazolin-2-yl]aniline","","","","","","","","","","","","","","","","","","","","4-[6-[3-[2-(4-Aminophenyl)benzo[h]quinazolin-6-yl]phenyl]benzo[h]quinazolin-2-yl]aniline","","C1=CC=C2C(=C1)C(=CC3=CN=C(N=C23)C4=CC=C(C=C4)N)C5=CC(=CC=C5)C6=CC7=CN=C(N=C7C8=CC=CC=C86)C9=CC=C(C=C9)N","XRBLHBVVCHHNIC-UHFFFAOYSA-N","389831",NA,"PDBC25068","686463","Present"
-"4-[6-[[2-(4-Aminophenyl)-1,3-benzoxazol-6-yl]methyl]-1,3-benzoxazol-2-yl]aniline","","","","","","","","","","","","","","","","","","","","4-[6-[[2-(4-Aminophenyl)-1,3-benzoxazol-6-yl]methyl]-1,3-benzoxazol-2-yl]aniline","","C1=CC(=CC=C1C2=NC3=C(O2)C=C(C=C3)CC4=CC5=C(C=C4)N=C(O5)C6=CC=C(C=C6)N)N","WRXMSGVSOCIFMR-UHFFFAOYSA-N","392993",NA,"PDBC25069","694235","Present"
-"4-[7-(4-Methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo[5,4-e]isoindol-6-yl]phenol","","","","","","","","","","","","","","","","","","","","4-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo...","","COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=C(C=C4)O)CCC5=C3ON=C5","QKENMXFXGQVOQT-UHFFFAOYSA-N","60148278",NA,"PDBC25070","754084","Present"
-"4-[7-Chloro-2-(cyclohexylmethyl)-1,3-dioxo-5H-pyrrolo[3,4-b][1,4]benzoxazepin-4-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-(7-chloro-2-(cyclohexylmethyl)-1,3-dioxo-2,3-dihydro-1...","","C1CCC(CC1)CN2C(=O)C3=C(C2=O)OC4=C(CN3C5=CC=C(C=C5)S(=O)(=O)N)C=C(C=C4)Cl","CMMMDTNBMHRIGG-UHFFFAOYSA-N","155811858",NA,"PDBC25071","789275","Present"
-"4-[7-Chloro-2-[(4-fluorophenyl)methyl]-1,3-dioxo-5H-pyrrolo[3,4-b][1,4]benzoxazepin-4-yl]benzonitrile","","","","","","","","","","","","","","","","","","","","4-(7-chloro-2-(4-fluorobenzyl)-1,3-dioxo-2,3-dihydro-1H-...","","C1C2=C(C=CC(=C2)Cl)OC3=C(N1C4=CC=C(C=C4)C#N)C(=O)N(C3=O)CC5=CC=C(C=C5)F","HJNSQTAZKHMMIJ-UHFFFAOYSA-N","155810791",NA,"PDBC25072","789279","Present"
-"4-[7-Ethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine","","","","","","","","","","","","","","","","","","","","4-[7-Ethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine","","CCC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","HLELSJUVHXKFBA-UHFFFAOYSA-N","382366",NA,"PDBC25073","669885","Present"
-"4-[8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine","","","","","","","","","","","","","","","","","","","","4-[8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine","","CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=CC=C5)OC","ZQNFTINNMOXUHL-UHFFFAOYSA-N","382370",NA,"PDBC25074","669889","Present"
-"4-[Bis(1H-pyrrol-2-yl)methyl]-6-methoxychromen-2-one","","","","","","","","","","","","","","","","","","","","4-(di(1H-pyrrol-2-yl)methyl)-6-methoxy-2H-chromen-2-one","","COC1=CC2=C(C=C1)OC(=O)C=C2C(C3=CC=CN3)C4=CC=CN4","SOEWKZHDGLLZRP-UHFFFAOYSA-N","155810199",NA,"PDBC25075","788353","Present"
-"4-[Bis(2-chloroethyl)amino]-2-chlorobenzaldehyde","","","","","","","","","","","","","","","","","","","","4-[Bis(2-chloroethyl)amino]-2-chlorobenzaldehyde","","C1=CC(=C(C=C1N(CCCl)CCCl)Cl)C=O","HKSLIEMSMQTDPW-UHFFFAOYSA-N","251946",NA,"PDBC25076","73019","Present"
-"4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-chlorophenyl)iminobenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-chlorophenyl)iminobenzenecarboximidamide","","C1=CC(=CC=C1C(=NC2=CC=C(C=C2)Cl)N=NC3=CC=C(C=C3)Cl)N(CCC#N)CCC#N","UEDOFBICVNZPMF-UHFFFAOYSA-N","396705",NA,"PDBC25077","703313","Present"
-"4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide","","COC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N(CCC#N)CCC#N","OUFIHLWQGWRMDT-UHFFFAOYSA-N","396704",NA,"PDBC25078","703312","Present"
-"4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide","","CC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N(CCC#N)CCC#N","QRCZJAIWEUGRLQ-UHFFFAOYSA-N","396703",NA,"PDBC25079","703311","Present"
-"4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-phenyliminobenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-phenyliminobenzenecarboximidamide","","C1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N(CCC#N)CCC#N","GFXGMUWGQGZSHB-UHFFFAOYSA-N","396702",NA,"PDBC25080","703310","Present"
-"4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide","","COC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)F)C3=CC=C(C=C3)N(CCC#N)CCC#N","IBAKRNCCQZXEIW-UHFFFAOYSA-N","396700",NA,"PDBC25081","703308","Present"
-"4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide","","CC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)F)C3=CC=C(C=C3)N(CCC#N)CCC#N","UWVURSBDMCYKGX-UHFFFAOYSA-N","396699",NA,"PDBC25082","703307","Present"
-"4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenyliminobenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenyliminobenzenecarboximidamide","","C1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)F)C3=CC=C(C=C3)N(CCC#N)CCC#N","LFANCJKRADTESB-UHFFFAOYSA-N","396698",NA,"PDBC25083","703306","Present"
-"4-[Bis(2-cyanoethyl)amino]-N'-phenyl-N-phenyliminobenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N'-phenyl-N-phenyliminobenzenecarboximidamide","","C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)N(CCC#N)CCC#N)N=NC3=CC=CC=C3","STRGOGGILWRIHK-UHFFFAOYSA-N","396694",NA,"PDBC25084","703302","Present"
-"4-[Bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-(4-fluorophenyl)benzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-(4-fluorophenyl)benzenecarboximidamide","","C1=CC(=CC=C1C(=NC2=CC=C(C=C2)F)N=NC3=CC=C(C=C3)Cl)N(CCC#N)CCC#N","QCCJIZQNKZPYOX-UHFFFAOYSA-N","396701",NA,"PDBC25085","703309","Present"
-"4-[Bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-phenylbenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-phenylbenzenecarboximidamide","","C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)N(CCC#N)CCC#N)N=NC3=CC=C(C=C3)Cl","RRGAASHOMFXTJU-UHFFFAOYSA-N","396697",NA,"PDBC25086","703305","Present"
-"4-[Bis(2-cyanoethyl)amino]-N-(4-methoxyphenyl)imino-N'-phenylbenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N-(4-methoxyphenyl)imino-N'-phenylbenzenecarboximidamide","","COC1=CC=C(C=C1)N=NC(=NC2=CC=CC=C2)C3=CC=C(C=C3)N(CCC#N)CCC#N","JERBJMMTWSSVPS-UHFFFAOYSA-N","396696",NA,"PDBC25087","703304","Present"
-"4-[Bis(2-cyanoethyl)amino]-N-(4-methylphenyl)imino-N'-phenylbenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]-N-(4-methylphenyl)imino-N'-phenylbenzenecarboximidamide","","CC1=CC=C(C=C1)N=NC(=NC2=CC=CC=C2)C3=CC=C(C=C3)N(CCC#N)CCC#N","QTCGZTCYUZSYCW-UHFFFAOYSA-N","396695",NA,"PDBC25088","703303","Present"
-"4-[Bis(2-cyanoethyl)amino]benzohydrazide","","","","","","","","","","","","","","","","","","","","4-[Bis(2-cyanoethyl)amino]benzohydrazide","","C1=CC(=CC=C1C(=O)NN)N(CCC#N)CCC#N","FDMRJJZVAWYADN-UHFFFAOYSA-N","370456",NA,"PDBC25089","643587","Present"
-"4-[Bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoic acid","","","","","","","","","","","","","","","","","","","","4-[Bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoic acid","","CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C(=O)O","WJBDAOKXAVQKTI-UHFFFAOYSA-N","45027887",NA,"PDBC25090","733609","Present"
-"4-[Bis(4-hydroxy-2-oxo-chromen-3-yl)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[Bis(4-hydroxy-2-oxo-chromen-3-yl)methyl]benzoic acid","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)C(=O)O)C4=C(C5=CC=CC=C5OC4=O)O)O","CSJVCXMPCBECQX-UHFFFAOYSA-N","54695483",NA,"PDBC25091","689410","Present"
-"4-[Bis(4-hydroxyphenyl)methyl]phenol","","","","","","","","","","","","","","","","","","","","Leucoaurine","","C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)O","WFCQTAXSWSWIHS-UHFFFAOYSA-N","69047",NA,"PDBC25092","75955","Present"
-"4-[Bis(methylsulfanyl)methylene]-3-methyl-1H-pyrazol-5-one","","","","","","","","","","","","","","","","","","","","4-[Bis(methylsulfanyl)methylene]-3-methyl-1H-pyrazol-5-one","","CC1=NNC(=O)C1=C(SC)SC","ZUDDHZHYVDECAY-UHFFFAOYSA-N","390310",NA,"PDBC25093","687602","Present"
-"4-[Bis(methylsulfanyl)methylene]-5-methylsulfanyl-2-phenyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[Bis(methylsulfanyl)methylene]-5-methylsulfanyl-2-phenyl-pyrazol-3-one","","CSC1=NN(C(=O)C1=C(SC)SC)C2=CC=CC=C2","NJEYDNKKBDHAJX-UHFFFAOYSA-N","392142",NA,"PDBC25094","692022","Present"
-"4-[C-(4-Hydroxyphenyl)-N-(5-methoxy-2,4-dinitroanilino)carbonimidoyl]phenol","","","","","","","","","","","","","","","","","","","","4-[C-(4-Hydroxyphenyl)-N-(5-methoxy-2,4-dinitroanilino)carbonimidoyl]phenol","","COC1=C(C=C(C(=C1)NN=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[N+](=O)[O-])[N+](=O)[O-]","PXODVGTXWYAPQO-UHFFFAOYSA-N","135958518",NA,"PDBC25095","746314","Present"
-"4-[C-(4-Hydroxyphenyl)-N-(5-methyl-2,4-dinitroanilino)carbonimidoyl]phenol","","","","","","","","","","","","","","","","","","","","4-[C-(4-Hydroxyphenyl)-N-(5-methyl-2,4-dinitroanilino)carbonimidoyl]phenol","","CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O","CXQDOHAWNAQZAU-UHFFFAOYSA-N","135958516",NA,"PDBC25096","746310","Present"
-"4-[Hydroxy(diphenyl)methyl]naphthalen-1-ol","","","","","","","","","","","","","","","","","","","","4-[Hydroxy(diphenyl)methyl]naphthalen-1-ol","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C4=CC=CC=C43)O)O","IUMOCCIEKFOXCO-UHFFFAOYSA-N","344348",NA,"PDBC25097","401210","Present"
-"4-[Hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol","","","","","","","","","","","","","","","","","","","","4-[Hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol","","C1CC2C3C1C(C2O)C(C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O","XWSHAONUVZUKOY-UHFFFAOYSA-N","380720",NA,"PDBC25098","666426","Present"
-"4-[N-(2,4-Dinitro-5-pyrrolidin-1-ylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol","","","","","","","","","","","","","","","","","","","","4-[N-(2,4-Dinitro-5-pyrrolidin-1-ylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol","","C1CCN(C1)C2=C(C=C(C(=C2)NN=C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)[N+](=O)[O-])[N+](=O)[O-]","CHJBAQRASCKQQS-UHFFFAOYSA-N","135958517",NA,"PDBC25099","746312","Present"
-"4-[N-(4-Phenylazophenylthiocarbamoyl)]-butanoic acid","","","","","","","","","","","","","","","","","","","","4-[N-(4-Phenylazophenylthiocarbamoyl)]-butanoic acid","","C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)SCCCC(=O)O","AGHWIWXBCPJTNK-UHFFFAOYSA-N","363910",NA,"PDBC25100","629299","Present"
-"4-[N-(5-Amino-2,4-dinitroanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol","","","","","","","","","","","","","","","","","","","","4-[N-(5-Amino-2,4-dinitroanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol","","C1=CC(=CC=C1C(=NNC2=C(C=C(C(=C2)N)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)O)O","CBOIJWMZQJUVRM-UHFFFAOYSA-N","135958519",NA,"PDBC25101","746315","Present"
-"4-[N-(Benzenesulfonyl)-S-(4-carbamoylphenyl)sulfonimidoyl]benzamide","","","","","","","","","","","","","","","","","","","","4-[N-(Benzenesulfonyl)-S-(4-carbamoylphenyl)sulfonimidoyl]benzamide","","C1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)C(=O)N","IGHXXGQHMGYMAY-UHFFFAOYSA-N","375368",NA,"PDBC25102","655034","Present"
-"4-[N-Formyl-N-(4-methylphenyl)amino]-5,7-dinitro-benzofurazan 3-oxide","","","","","","","","","","","","","","","","","","","","4-[N-Formyl-N-(4-methylphenyl)amino]-5,7-dinitro- benzof...","","CC1=CC=C(C=C1)N(C=O)C2=C(C=C(C3=NC[N+](=C23)[O-])[N+](=O)[O-])[N+](=O)[O-]","DUVAWSIHXJCBJB-UHFFFAOYSA-N","368572",NA,"PDBC25103","639666","Present"
-"4-[N-Sulfamoyl-3,5-bis(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine","","","","","","","","","","","","","","","","","","","","4-[N-Sulfamoyl-3,5-bis(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine","","C1CN(CCC1N(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)N)CC3=CC=C(C=C3)C(F)(F)F","WQKNWHNZAYMWQL-UHFFFAOYSA-N","54613153",NA,"PDBC25104","750774","Present"
-"4-[N-[2,4-Dinitro-5-(trifluoromethyl)anilino]-C-(4-hydroxyphenyl)carbonimidoyl]phenol","","","","","","","","","","","","","","","","","","","","4-[N-[2,4-Dinitro-5-(trifluoromethyl)anilino]-C-(4-hydroxyphenyl)carbonimidoyl]phenol","","C1=CC(=CC=C1C(=NNC2=C(C=C(C(=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)O)O","XBSKDKJSABNKHZ-UHFFFAOYSA-N","135545837",NA,"PDBC25105","746313","Present"
-"4-[N-[5-(Dimethylamino)-2,4-dinitroanilino]-C-(4-hydroxyphenyl)carbonimidoyl]phenol","","","","","","","","","","","","","","","","","","","","4-[N-[5-(Dimethylamino)-2,4-dinitroanilino]-C-(4-hydroxyphenyl)carbonimidoyl]phenol","","CN(C)C1=C(C=C(C(=C1)NN=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[N+](=O)[O-])[N+](=O)[O-]","MYPAPGDYXKSCPM-UHFFFAOYSA-N","135958520",NA,"PDBC25106","746316","Present"
-"4-[Propan-3-ol)aminopyrazolo[3,4-d]pyrimidin-6-thion","","","","","","","","","","","","","","","","","","","","4-[propan-3-ol)aminopyrazolo[3,4-d]pyrimidin-6-thion","","C1=NNC2=C1C(=NC(=S)N2)NCCCO","ONEMXFJPXWGNBZ-UHFFFAOYSA-N","135436401",NA,"PDBC25107","722958","Present"
-"4-[Tert-butyl(methyl)carbamoyl]cubane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-[Tert-butyl(methyl)carbamoyl]cubane-1-carboxylic acid","","CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C(=O)O","ISMZDXJDNNRLTK-UHFFFAOYSA-N","386905",NA,"PDBC25108","679805","Present"
-"4-[[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]amino]benzoic acid","","C1=CC=C2C(=C1)N=NN2C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O","VPYDDUXXJOZHTI-JQIJEIRASA-N","5470196",NA,"PDBC25109","698375","Present"
-"4-[[(1R,5R,9R,10S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]cyclohexan-1-ol","","","","","","","","","","","","","","","","","","","","4-[[(1R,5R,9R,10S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]cyclohexan-1-ol","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC5CCC(CC5)O)C","BDVPLUOVTKCZSI-UNVWAPBTSA-N","54611790",NA,"PDBC25110","716242","Present"
-"4-[[(2-Naphthalen-2-ylacetyl)amino]methyl]-N-(2-phenylethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-[[(2-Naphthalen-2-ylacetyl)amino]methyl]-N-(2-phenylethyl)benzamide","","C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)CC3=CC4=CC=CC=C4C=C3","MGMNGVNIPCGJMU-UHFFFAOYSA-N","396313",NA,"PDBC25111","702103","Present"
-"4-[[(2E)-5-(4-Chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-cyanophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[[(2E)-5-(4-Chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-cyanophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]benzonitrile","","C1=CC(=CC=C1CSC2=C(SC(=C3SC(=C(S3)SCC4=CC=C(C=C4)C#N)C5=CC=C(C=C5)Cl)S2)C6=CC=C(C=C6)Cl)C#N","RYHVFUAVXHVWBI-JEIPZWNWSA-N","3004935",NA,"PDBC25112","664021","Present"
-"4-[[(3-Amino-2-phenylquinoxaline-6-yl)methyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-{[(3-Amino-2-phenylquinoxalin-6-yl)methyl]amino}benzoic acid","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)CNC4=CC=C(C=C4)C(=O)O)N=C2N","VKJYCGOMVZQVLV-UHFFFAOYSA-N","380468",NA,"PDBC25113","666064","Present"
-"4-[[(3E)-3-[(4-Methoxyphenyl)methylidene]-2-oxocyclopentyl]methylamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[(3E)-3-[(4-Methoxyphenyl)methylidene]-2-oxocyclopentyl]methylamino]benzenesulfonamide","","COC1=CC=C(C=C1)C=C2CCC(C2=O)CNC3=CC=C(C=C3)S(=O)(=O)N","IPSNMSUXQQGRPK-NTCAYCPXSA-N","5467976",NA,"PDBC25114","661236","Present"
-"4-[[(3R,4R,6R)-3-Hydroxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]oxy]-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-(((5S,6R,7S,9R)-6-hydroxy-5-methyl-14,16-dioxo-5,6,7,8...","","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)NC6=O)OC(=O)CCC(=O)O)O","FTXDUBGTSHBHQN-QDHRRFRGSA-N","155815173",NA,"PDBC25115","790649","Present"
-"4-[[(4S)-2-Oxo-1,3-oxazolidin-4-yl]methoxy]benzaldehyde","","","","","","","","","","","","","","","","","","","","4-[[(4s)-2-Oxooxazolidin-4-yl]methoxy]benzaldehyde","","C1C(NC(=O)O1)COC2=CC=C(C=C2)C=O","FNSPRXCNQYSPRZ-VIFPVBQESA-N","397419",NA,"PDBC25116","705165","Present"
-"4-[[(4S,9Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzonitrile","","","","","","","","","","","","","","","","","","","","Benzonitrile, 4-[[1,3,3a,4,9,9a-hexahydro-9-(4-hydroxy- ...","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC(=C(C=C24)OC)OC)NC5=CC=C(C=C5)C#N","WGEAIKSPJFUISL-WXIMRCAWSA-N","369961",NA,"PDBC25117","642328","Present"
-"4-[[(5R,9R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]phenol","","","","","","","","","","","","","","","","","","","","4-[[(5R,9R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]phenol","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC5=CC=C(C=C5)O)C","URDHTDUTEFBRCE-ZMFSFSIESA-N","45027779",NA,"PDBC25118","707391","Present"
-"4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide","","","","","","","","","","","","","","","","","","","","4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benz","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C(=O)NC7CCC8=CC(=C(C(=C8C9=CC=C(C(=O)C=C79)SC)OC)OC)OC","MCVWSXSVUPWWQV-QNODNKGLSA-N","395874",NA,"PDBC25119","700915","Present"
-"4-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C(=O)O","CZXDFQJUHGPKOF-PUEOPUMLSA-N","374328",NA,"PDBC25120","651852","Present"
-"4-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C#N","DSVDQMLQXBKSBA-LYJLOTJCSA-N","363636",NA,"PDBC25121","628665","Present"
-"4-[[(8-Hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","P-[[.ALPHA.-(8-HYDROXY-7-QUINOLYL)BENZYL]AMINO]BENZOIC ACID","","C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)C(=O)O","PSCFZETTYRDCRM-UHFFFAOYSA-N","219564",NA,"PDBC25122","1011","Present"
-"4-[[(E)-(2-Chlorophenyl)methylideneamino]-(2-hydroxyethyl)amino]-N-(3,5-dichlorophenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","4-[[(E)-(2-Chlorophenyl)methylideneamino]-(2-hydroxyethyl)amino]-N-(3,5-dichlorophenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CC1=C(C(=NC(=O)N1)N(CCO)N=CC2=CC=CC=C2Cl)C(=O)NC3=CC(=CC(=C3)Cl)Cl","HBFVYNBILODRRQ-OPEKNORGSA-N","9571769",NA,"PDBC25123","648201","Present"
-"4-[[(E)-(4-Nitrophenyl)methylideneamino]carbamoylamino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[(E)-(4-Nitrophenyl)methylideneamino]carbamoylamino]benzoic acid","","C1=CC(=CC=C1C=NNC(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]","FJRIMDITFTXTKJ-CXUHLZMHSA-N","9572402",NA,"PDBC25124","715174","Present"
-"4-[[(Z)-C-[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-N-[(4-methylbenzoyl)amino]carbonimidoyl]diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[(Z)-C-[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-N-[(4-methylbenzoyl)amino]carbonimidoyl]diazenyl]benzoic acid","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=C(C=C3)C(=O)O","MUNPFUSHKGEVTF-BJPWPYEYSA-N","135505187",NA,"PDBC25125","703556","Present"
-"4-[[(Z)-[7-[(8Z)-8-[[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-6-hydroxy-5-isopropyl-3-methyl-7-oxo-2-naphthyl]-3-hydroxy-4-isopropyl-6-methyl-2-oxo-1-naphthylidene]methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","4-[[(Z)-[7-[(8Z)-8-[[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-6-hydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3-hydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methy","","CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=O)C4=CNC5=C(N(N(C5=O)C6=CC=CC=C6)C)C)O)C(C)C)C(=CNC7=C(N(N(C7=O)C8=CC=CC=C8)C)C)C(=O)C(=C2C(C)C)O","DSRLBLSGJLTAGU-ZHEAWEGVSA-N","5470046",NA,"PDBC25126","697100","Present"
-"4-[[1-(4-Methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[[1-(4-Methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]morpholine","","COC1=CC=C(C=C1)C2=C(SC3=NC4=CC=CC=C4N23)CN5CCOCC5","IWIBYZHTKNJIIU-UHFFFAOYSA-N","397922",NA,"PDBC25127","706978","Present"
-"4-[[1-(5-Chloro-2-pyridyl)-2,5-dimethyl-4-(morpholinomethyl)pyrrol-3-yl]methyl]morpholine","","","","","","","","","","","","","","","","","","","","4-[[1-(5-Chloro-2-pyridyl)-2,5-dimethyl-4-(morpholinomethyl)pyrrol-3-yl]methyl]morpholine","","CC1=C(C(=C(N1C2=NC=C(C=C2)Cl)C)CN3CCOCC3)CN4CCOCC4","UQUYNXIWPFQUTI-UHFFFAOYSA-N","388904",NA,"PDBC25128","684136","Present"
-"4-[[1-Chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[1-Chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO)Cl)C","RHAHACUXSCTWKK-UHFFFAOYSA-N","370677",NA,"PDBC25129","644053","Present"
-"4-[[1-Oxo-4-[4-(quinoxalin-2-ylsulfamoyl)phenyl]iminonaphthalen-2-yl]amino]-N-quinoxalin-2-ylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[1-Oxo-4-[4-(quinoxalin-2-ylsulfamoyl)phenyl]iminonaphthalen-2-yl]amino]-N-quinoxalin-2-ylbenzenesulfonamide","","C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC5=CC=CC=C5N=C4)C=C(C2=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC8=CC=CC=C8N=C7","RSSAXWHZGNDHTD-UHFFFAOYSA-N","375856",NA,"PDBC25130","656128","Present"
-"4-[[1-[3-(4-Fluoroanilino)-3-oxopropanoyl]-5-oxo-3-phenyl-4H-pyrazol-4-yl]diazenyl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[1-[3-(4-Fluoroanilino)-3-oxopropanoyl]-5-oxo-3-phenyl-4H-pyrazol-4-yl]diazenyl]benzoic acid","","C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=C(C=C3)C(=O)O)C(=O)CC(=O)NC4=CC=C(C=C4)F","CTRQZCVKJVXKSW-UHFFFAOYSA-N","359681",NA,"PDBC25131","621095","Present"
-"4-[[1-[5-Cyano-4-(furan-2-yl)-1-methyl-6-oxopyrimidin-2-yl]-3,5-dioxopyrazolidin-4-yl]diazenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[1-[5-Cyano-4-(furan-2-yl)-1-methyl-6-oxopyrimidin-2-yl]-3,5-dioxopyrazolidin-4-yl]diazenyl]benzenesulfonamide","","CN1C(=O)C(=C(N=C1N2C(=O)C(C(=O)N2)N=NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CO4)C#N","PMGAMKXZQPSIPB-UHFFFAOYSA-N","45029189",NA,"PDBC25132","745582","Present"
-"4-[[2,4-Dichloro-6-[(4-nitrobenzoyl)oxy]phenyl]imino]-2,6-dimethoxy-2,5-cyclohexadien-1-one","","","","","","","","","","","","","","","","","","","","3,5-Dichloro-2-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl 4-nitrobenzoate","","COC1=CC(=NC2=C(C=C(C=C2Cl)Cl)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C1=O)OC","RFKIVMQNVBCMJM-UHFFFAOYSA-N","370888",NA,"PDBC25133","644622","Present"
-"4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile","","C1=CC(=CC=C1C#N)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl","PRMHACFMULNDJG-UHFFFAOYSA-N","420798",NA,"PDBC25134","127471","Present"
-"4-[[2-(3-Carboxypropylimino)-1,2-diphenylethylidene]amino]butanoic acid","","","","","","","","","","","","","","","","","","","","4-[[(2e)-2-(4-Hydroxy-4-oxo-butyl)imino-1,2-diphenyl-ethylidene]amino]butanoic acid","","C1=CC=C(C=C1)C(=NCCCC(=O)O)C(=NCCCC(=O)O)C2=CC=CC=C2","PJNLAMGYYCDJEX-UHFFFAOYSA-N","395214",NA,"PDBC25135","699688","Present"
-"4-[[2-(4-Carboxyphenyl)imino-1,2-diphenylethylidene]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[(2z)-2-(4-Carboxyphenyl)imino-1,2-diphenyl-ethylidene]amino]benzoic acid","","C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C(=O)O)C(=NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4","VDYSSHCFGBQRJW-UHFFFAOYSA-N","395213",NA,"PDBC25136","699687","Present"
-"4-[[2-(4-Chlorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[2-(4-Chlorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide","","C1=CC(=CC=C1C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)Cl","NCOJMQGWXHLZPI-MDZDMXLPSA-N","24204932",NA,"PDBC25137","733477","Present"
-"4-[[2-(4-Fluorophenyl)-2-bicyclo[2.2.1]heptanyl]-methylamino]-N-[(2R,3S,4R,6S)-3-hydroxy-2-methyl-6-[[(1R,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]butanamide","","","","","","","","","","","","","","","","","","","","4-(N-(2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-yl)-N-met...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)CCCN(C)C6(CC7CCC6C7)C8=CC=C(C=C8)F)O","WCSMLARGQAEWLE-JDVCFUHQSA-N","155816465",NA,"PDBC25138","788320","Present"
-"4-[[2-(4-Fluorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[2-(4-Fluorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide","","C1=CC(=CC=C1C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)F","AOTXFCOLABDNJL-MDZDMXLPSA-N","24204925",NA,"PDBC25139","733464","Present"
-"4-[[2-(4-Methylphenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[2-(4-Methylphenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide","","CC1=CC=C(C=C1)C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N","AICUSWVANNEYIZ-ZHACJKMWSA-N","24204924",NA,"PDBC25140","733463","Present"
-"4-[[2-(Carboxymethyl)-1,1,3-trioxo-1,2-benzothiazol-6-yl]amino]-4-oxo-butanoic acid","","","","","","","","","","","","","","","","","","","","4-[[2-(Carboxymethyl)-1,1,3-trioxo-1,2-benzothiazol-6-yl]amino]-4-oxo-butanoic acid","","C1=CC2=C(C=C1NC(=O)CCC(=O)O)S(=O)(=O)N(C2=O)CC(=O)O","CAOHOSFBHZFGMV-UHFFFAOYSA-N","393590",NA,"PDBC25141","695661","Present"
-"4-[[2-Ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","4-((2-ethyl-4-oxo-3-phenethyl-3,4-dihydroquinazolin-6-yl...","","CCC1=NC2=C(C=C(C=C2)CC3=CC=C(C=C3)C(=O)NO)C(=O)N1CCC4=CC=CC=C4","VLBQAJZSHGGUBQ-UHFFFAOYSA-N","71811260",NA,"PDBC25142","787286","Present"
-"4-[[2-[(3,4-Dichlorophenyl)carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-((2-(3-(3,4-dichlorophenyl)ureido)benzo[d]thiazol-6-yl...","","CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl","KNOQVYGPDZKJHQ-UHFFFAOYSA-N","127046489",NA,"PDBC25143","780956","Present"
-"4-[[2-[(3,5-Dioxo-1,2,4-triazolidin-4-yl)methyl]phenyl]methyl]-1,2,4-triazolidine-3,5-dione","","","","","","","","","","","","","","","","","","","","4-[[2-[(3,5-Dioxo-1,2,4-triazolidin-4-yl)methyl]phenyl]methyl]-1,2,4-triazolidine-3,5-dione","","C1=CC=C(C(=C1)CN2C(=O)NNC2=O)CN3C(=O)NNC3=O","OQVOJVIERNSDOJ-UHFFFAOYSA-N","392328",NA,"PDBC25144","692604","Present"
-"4-[[2-[[3,5-Bis(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-((2-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)benzo[d]...","","CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","OSDKCMJIQPHNPE-UHFFFAOYSA-N","127047276",NA,"PDBC25145","783701","Present"
-"4-[[2-[[4-Chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","4-((2-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)benz...","","CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","IOTROVDBTOGLFR-UHFFFAOYSA-N","127047275",NA,"PDBC25146","780450","Present"
-"4-[[2-[[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]carbamoylamino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[2-[[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]carbamoyla","","CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C5COC(O5)(C)C)OC(O4)(C)C)NC(=O)NC6=CC=C(C=C6)C(=O)O)OC(O2)(C)C","WSZRDNSEZXHMGT-UHFFFAOYSA-N","45028442",NA,"PDBC25147","742856","Present"
-"4-[[3,5-Bis[(4-hydroxyphenyl)methyl]phenyl]methyl]phenol","","","","","","","","","","","","","","","","","","","","4-[[3,5-Bis[(4-hydroxyphenyl)methyl]phenyl]methyl]phenol","","C1=CC(=CC=C1CC2=CC(=CC(=C2)CC3=CC=C(C=C3)O)CC4=CC=C(C=C4)O)O","ZUEQUQSNOMEMJR-UHFFFAOYSA-N","393214",NA,"PDBC25148","694702","Present"
-"4-[[3-(2-Fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","4-((3-(2-fluorophenyl)-2,4-dioxo-3,4-dihydroquinazolin-1...","","C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC3=CC=C(C=C3)C(=O)NO)C4=CC=CC=C4F","ZXHSWQKUOOOVNJ-UHFFFAOYSA-N","152729507",NA,"PDBC25149","787280","Present"
-"4-[[3-(2-Thienyl)quinoxalin-2-yl]amino]benzoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 4-{[3-(thiophen-2-yl)quinoxalin-2-yl]amino}benzoate","","CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","APZHKWUYQRGXRW-UHFFFAOYSA-N","385744",NA,"PDBC25150","677095","Present"
-"4-[[3-(3,4-Dichlorophenylcarbamoyl)thioureido]methyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[3-(3,4-Dichlorophenylcarbamoyl)thioureido]methyl]benzenesulfonamide","","C1=CC(=CC=C1CNC(=S)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N","DLLSQQSPPYJHJW-UHFFFAOYSA-N","5470531",NA,"PDBC25151","702687","Present"
-"4-[[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid","","C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)O","VNPGMPKXSJGJEV-UHFFFAOYSA-N","385742",NA,"PDBC25152","677093","Present"
-"4-[[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 4-{[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino}benzoate","","CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","YSUXIYTZQCZKAP-UHFFFAOYSA-N","385743",NA,"PDBC25153","677094","Present"
-"4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)O","RSYJTYQTKKUHMY-UHFFFAOYSA-N","385741",NA,"PDBC25154","677092","Present"
-"4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 4-{[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino}benzoate","","CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","MEOCXCNZPNMJGA-UHFFFAOYSA-N","385746",NA,"PDBC25155","677097","Present"
-"4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzonitrile","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)C#N","HIKCPYTUBNXVGW-UHFFFAOYSA-N","392813",NA,"PDBC25156","693769","Present"
-"4-[[4,5-Bis(trifluoromethyl)-1H-imidazol-2-yl]diazenyl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","4-[[4,5-Bis(trifluoromethyl)-1H-imidazol-2-yl]diazenyl]benzenesulfonic acid","","C1=CC(=CC=C1N=NC2=NC(=C(N2)C(F)(F)F)C(F)(F)F)S(=O)(=O)O","HLYCSXLSVNEJJL-UHFFFAOYSA-N","357612",NA,"PDBC25157","617136","Present"
-"4-[[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-5-nitro-1H-pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","6-{[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]amino}-5-nitropyrimidin-4(1H)-one","","C1=C(C(C(C1NC2=C(C(=O)NC=N2)[N+](=O)[O-])O)O)CO","ATWLHOBYKINNNZ-UHFFFAOYSA-N","135495973",NA,"PDBC25158","642830","Present"
-"4-[[4-(1,3-Benzothiazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[[4-(1,3-Benzothiazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline","","CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3","ZYTXKXKNGGKJNB-UHFFFAOYSA-N","402451",NA,"PDBC25159","716421","Present"
-"4-[[4-(1,3-Benzoxazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[[4-(1,3-Benzoxazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline","","CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3","PHGDJKWYKYTNGB-UHFFFAOYSA-N","401263",NA,"PDBC25160","714517","Present"
-"4-[[4-(1H-Benzimidazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline","","","","","","","","","","","","","","","","","","","","4-[[4-(1H-Benzimidazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline","","CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","QTBYJQKODAGKPO-UHFFFAOYSA-N","402057",NA,"PDBC25161","715753","Present"
-"4-[[4-(2-Benzyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-3-methylaniline;hydrochloride","","","","","","","","","","","","","","","","","","","","Benzenamine, N,N-bis(2-chloroethyl)-3-methyl-4-[[[4-[2-(...","","CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4.Cl","LDUCWEKRZVOYAS-UHFFFAOYSA-N","24190089",NA,"PDBC25162","100770","Present"
-"4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 4-[3-[p-(4,6-diamino-2,...","","CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F","QNTQODOCEDOHBL-UHFFFAOYSA-N","276175",NA,"PDBC25163","123463","Present"
-"4-[[4-(Cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","Sulfanilic acid, N-[4-(cyclohexylamino]-1-anthraquinonyl]-","","C1CCC(CC1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O","PSWVJVFHPGZDQH-UHFFFAOYSA-N","278672",NA,"PDBC25164","128437","Present"
-"4-[[4-(Diaminomethylideneamino)sulfonylphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-[[4-(Diaminomethylideneamino)sulfonylphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid","","C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)O)C(=O)O","MUOFBLRJLQRVDM-UHFFFAOYSA-N","281357",NA,"PDBC25165","134139","Present"
-"4-[[4-(Dimethylamino)phenyl]methyl]-6-[(6-methoxyquinolin-8-yl)diazenyl]-1-N,1-N-dimethylbenzene-1,3-diamine","","","","","","","","","","","","","","","","","","","","4-[[4-(Dimethylamino)phenyl]methyl]-6-[(6-methoxyquinolin-8-yl)diazenyl]-1-N,1-N-dimethylbenzene-1,3-diamine","","CN(C)C1=CC=C(C=C1)CC2=CC(=C(C=C2N)N(C)C)N=NC3=C4C(=CC(=C3)OC)C=CC=N4","BTDQKVAGLWNJLK-UHFFFAOYSA-N","407487",NA,"PDBC25166","5920","Present"
-"4-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methoxymethyl]-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","4-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methoxymethyl]-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)COCC3=NC(=NC(=N3)N4C(CC(=N4)C)(C)C)N","DVEBMZANZYKIAR-UHFFFAOYSA-N","389992",NA,"PDBC25167","686786","Present"
-"4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=C(C(=O)N3N)C=CC4=C(C=CC5=CC=CC=C54)O)C","ZITHNYOUVLIXPR-OUKQBFOZSA-N","135436153",NA,"PDBC25168","710577","Present"
-"4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4-methyl-1,2-oxazol-5-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4-methyl-1,2-oxazol-5-yl)benzenesulfonamide","","CC1=C(ON=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=C(C(=O)N3N)C=CC4=C(C=CC5=CC=CC=C54)O","QMZUJLHVVSJAFD-VAWYXSNFSA-N","135436154",NA,"PDBC25169","710578","Present"
-"4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide","","C1=CC=C2C(=C1)C=CC(=C2C=CC3=NN=C(N(C3=O)N)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)O","GSWSANSOOSQPTB-VAWYXSNFSA-N","135436152",NA,"PDBC25170","710576","Present"
-"4-[[4-Hydroxy-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol","","","","","","","","","","","","","","","","","","","","4-[[4-Hydroxy-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol","","COC1=CC=C(C=C1)C2=NNC(C2)C3=C(C=CC(=C3)CC4=CC(=C(C=C4)O)C5CC(=NN5)C6=CC=C(C=C6)OC)O","DOPFWCZEDUQYNO-UHFFFAOYSA-N","53306275",NA,"PDBC25171","751620","Present"
-"4-[[4-[(2,6-Dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-[[4-[(2,6-Dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid","","CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O","NKTXOTGVPZWTEQ-UHFFFAOYSA-N","421466",NA,"PDBC25172","134140","Present"
-"4-[[4-[(3,4-Dimethyl-1,2-oxazolidin-5-yl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-[[4-[(3,4-Dimethyl-1,2-oxazolidin-5-yl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid","","CC1C(NOC1NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)C","XRESMPGYVTUMSP-UHFFFAOYSA-N","421461",NA,"PDBC25173","134132","Present"
-"4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]benzenesulfonamide","","C1CN(CCN1CCO)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N","BTUADNZMKNSILJ-UHFFFAOYSA-N","370663",NA,"PDBC25174","644039","Present"
-"4-[[4-[[4-[[6-[[4-[[4-[(4-Aminophenyl)methyl]phenyl]iminomethyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]phenyl]methyl]aniline","","","","","","","","","","","","","","","","","","","","4-[[4-[[4-[[6-[[4-[[4-[(4-Aminophenyl)methyl]phenyl]iminomethyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]phenyl]methyl]aniline","","C1=CC(=NC(=C1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)CC4=CC=C(C=C4)N)COC5=CC=C(C=C5)C=NC6=CC=C(C=C6)CC7=CC=C(C=C7)N","AUJBIYBRVXHNCJ-UHFFFAOYSA-N","403710",NA,"PDBC25175","718901","Present"
-"4-[[5-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazol-2-yl]sulfanylmethyl]imidazolidin-2-one","","","","","","","","","","","","","","","","","","","","4-[[5-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazol-2-yl]sulfanylmethyl]imidazolidin-2-one","","C1CC(C2=C(C1)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OC(=N5)SCC6CNC(=O)N6","UDHYNEYETREZIB-UHFFFAOYSA-N","396626",NA,"PDBC25176","703125","Present"
-"4-[[5-(2-Chlorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid","","","","","","","","","","","","","","","","","","","","4-[[5-(2-Chlorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxo-butanoic acid","","C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])OC(=O)CCC(=O)O)Cl","QALQAIWAHFERNQ-UHFFFAOYSA-N","398655",NA,"PDBC25177","708813","Present"
-"4-[[5-(Iodomethyl)-4,5-dihydrothiazol-2-yl]amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-[[5-(Iodomethyl)-4,5-dihydrothiazol-2-yl]amino]benzenesulfonamide","","C1C(SC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)CI","WYATYSZFAKQDTL-UHFFFAOYSA-N","389124",NA,"PDBC25178","684809","Present"
-"4-[[5-[(4-Carbamimidoylphenyl)diazenyl]-2,6-dihydroxyanthracen-1-yl]diazenyl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-[[5-[(4-Carbamimidoylphenyl)diazenyl]-2,6-dihydroxyanthracen-1-yl]diazenyl]benzenecarboximidamide;hydrochloride","","C1=CC(=CC=C1C(=N)N)N=NC2=C(C=CC3=CC4=C(C=CC(=C4N=NC5=CC=C(C=C5)C(=N)N)O)C=C32)O.Cl","BNEUWNVZSIETLO-UHFFFAOYSA-N","135502360",NA,"PDBC25179","359464","Present"
-"4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid","","C1=CC(=CC=C1C(=O)O)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","KJTVMDDFYCCVQS-UHFFFAOYSA-N","385745",NA,"PDBC25180","677096","Present"
-"4-[[6-[[4-[(E)-[[5-Chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-methylhydrazinylidene]methyl]phenoxy]methyl]pyridin-2-yl]methoxy]benzaldehyde","","","","","","","","","","","","","","","","","","","","4-[[6-[[4-[(E)-[[5-Chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-methylhydrazinylidene]methyl]phenoxy]methyl]pyridin-2-yl]methoxy]benzaldehyde","","CN(C1=C(C(=O)N(N=C1)C2=C(C=C(C=C2)Cl)Cl)Cl)N=CC3=CC=C(C=C3)OCC4=NC(=CC=C4)COC5=CC=C(C=C5)C=O","PZMYCWQQZNWGGH-ODQASSKESA-N","54609063",NA,"PDBC25181","718886","Present"
-"4-[[6-[[4-[(Z)-[(2,4-Dinitrophenyl)hydrazinylidene]methyl]phenoxy]methyl]pyridin-2-yl]methoxy]benzaldehyde","","","","","","","","","","","","","","","","","","","","4-[[6-[[4-[(Z)-[(2,4-Dinitrophenyl)hydrazinylidene]methyl]phenoxy]methyl]pyridin-2-yl]methoxy]benzaldehyde","","C1=CC(=NC(=C1)COC2=CC=C(C=C2)C=O)COC3=CC=C(C=C3)C=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","BNVRCVSIWQWQJL-MBTHVWNTSA-N","9572511",NA,"PDBC25182","718885","Present"
-"4-[[7-(Trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[7-(Trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]amino]benzoic acid","","C1=CN2C3=C(C=C(C=C3)C(F)(F)F)N=C(C2=C1)NC4=CC=C(C=C4)C(=O)O","VVDHEEMJIQCXTL-UHFFFAOYSA-N","400212",NA,"PDBC25183","711730","Present"
-"4-[[7-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[7-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid","","C1=CC(=CC=C1C(=O)O)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F","VTIUFWPHRWWKPG-UHFFFAOYSA-N","389670",NA,"PDBC25184","686047","Present"
-"4-[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoic acid","","CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)C(=O)O)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","JHSXJMVGOLVTFP-UHFFFAOYSA-N","384849",NA,"PDBC25185","675367","Present"
-"4-[[Oxo(diphenyl)-lambda6-sulfanylidene]amino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione","","","","","","","","","","","","","","","","","","","","4-[[Oxo(diphenyl)-lambda6-sulfanylidene]amino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione","","C1CC2C=CC1N3N2C(=O)N(C3=O)N=S(=O)(C4=CC=CC=C4)C5=CC=CC=C5","PSOYZJARKQYMSM-UHFFFAOYSA-N","391636",NA,"PDBC25186","691122","Present"
-"4-[[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC=C(C=C6)C#N","LCRNHSVADVWRRI-BSAOIWFSSA-N","369917",NA,"PDBC25187","642284","Present"
-"4-[[[(E)-3-(3-Phenoxyphenyl)prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-[[[(E)-3-(3-Phenoxyphenyl)prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide","","C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4","LRRYPTSFXCEXMH-KNTRCKAVSA-N","5470469",NA,"PDBC25188","702115","Present"
-"4-[[[(E)-3-(3-Phenoxyphenyl)prop-2-enoyl]amino]methyl]-N-[(1S)-1-phenylethyl]benzamide","","","","","","","","","","","","","","","","","","","","4-[[[(E)-3-(3-Phenoxyphenyl)prop-2-enoyl]amino]methyl]-N-[(1S)-1-phenylethyl]benzamide","","CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4","LAKIVZHZYOAQEW-JVIWHDFBSA-N","5470484",NA,"PDBC25189","702130","Present"
-"4-[[[(E)-3-(9H-Fluoren-3-yl)prop-2-enoyl]amino]methyl]-N-(3-methylbutyl)benzamide","","","","","","","","","","","","","","","","","","","","4-[[[(E)-3-(9H-Fluoren-3-yl)prop-2-enoyl]amino]methyl]-N-(3-methylbutyl)benzamide","","CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC3=C(CC4=CC=CC=C43)C=C2","XUDMAFKAWBJBDM-GXDHUFHOSA-N","5470486",NA,"PDBC25190","702132","Present"
-"4-[[[(E)-3-Naphthalen-2-ylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-[[[(E)-3-Naphthalen-2-ylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide","","C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC4=CC=CC=C4C=C3","NBLXIWPROBJQEM-GHRIWEEISA-N","5470480",NA,"PDBC25191","702126","Present"
-"4-[[[(E)-3-[5-(2-Nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide","","","","","","","","","","","","","","","","","","","","4-[[[(E)-3-[5-(2-Nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide","","C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]","VBUVMQUDSLWRPR-BMRADRMJSA-N","5470475",NA,"PDBC25192","702121","Present"
-"4-[alpha-(3-Carboxypropylamino)benzylidene]-1-phenylpyrrolidine-2,3,5-trione","","","","","","","","","","","","","","","","","","","","4-[alpha-(3-Carboxypropylamino)benzylidene]-1-phenylpyrrolidine-2,3,5-trione","","C1=CC=C(C=C1)C(=NCCCC(=O)O)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)O","CFOQOBFADLYNTK-UHFFFAOYSA-N","135426748",NA,"PDBC25193","715996","Present"
-"4-[p-(Dimethylamino)styryl]quinoline monohydrochloride","","","","","","","","","","","","","","","","","","","","4m20 hcl","","CN(C)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23.Cl","RMENITNYNPMFHY-VEZAGKLZSA-N","54609627",NA,"PDBC25194","63346","Present"
-"4-[tert-butyl(dioxo)[?]yl]benzoic acid","","","","","","","","","","","","","","","","","","","","4-[tert-butyl(dioxo)[?]yl]benzoic acid","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)C(=O)O","IKTVSAXCEBKIPT-UHFFFAOYSA-N","381769",NA,"PDBC25195","668841","Present"
-"4-[tert-butyl(dioxo)[?]yl]benzonitrile","","","","","","","","","","","","","","","","","","","","4-[tert-butyl(dioxo)[?]yl]benzonitrile","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)C#N","QCCODWRKWVXPTA-UHFFFAOYSA-N","381762",NA,"PDBC25196","668834","Present"
-"4-aminothiazole, 2.3","","","","","","","","","","","","","","","","","","","","4-aminothiazole, 2.3","","C1=CC(=CC=C1C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Cl)N)Cl","IXHRXUGFSMBLCS-UHFFFAOYSA-N","399620",NA,"PDBC25197","710529","Present"
-"4-chloro-5-cyano-6-ethoxycarbonylmethylthio-2-methylpyrr...","","","","","","","","","","","","","","","","","","","","4-chloro-5-cyano-6-ethoxycarbonylmethylthio-2-methylpyrr...","","CCOC(=O)CSC1=C(C2=C(N1)N=C(N=C2Cl)C)C#N","NTLTYMXTIUOUGZ-UHFFFAOYSA-N","5465776",NA,"PDBC25198","661173","Present"
-"4-deoxygigantecin","","","","","","","","","","","","","","","","","","","","4-deoxygigantecin","","CCCCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC3=CC(OC3=O)C)O)O)O","AUIKUKHBIJHVLQ-QMSPDADRSA-N","393463",NA,"PDBC25199","695396","Present"
-"4-hydroxyethylthiocaran-3-ol","","","","","","","","","","","","","","","","","","","","4-hydroxyethylthiocaran-3-ol","","CC1(C2C1CC(C(C2)SCCO)(C)O)C","LIJDNFQOQBNEML-UHFFFAOYSA-N","375775",NA,"PDBC25200","655927","Present"
-"4-methoxypaullone","","","","","","","","","","","","","","","","","","","","4-methoxypaullone","","COC1=CC=CC2=C1NC(=O)CC3=C2NC4=CC=CC=C34","ATOAEKSFKWKAIO-UHFFFAOYSA-N","396080",NA,"PDBC25201","701591","Present"
-"4-methyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide","","","","","","","","","","","","","","","","","","","","4-methyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide","","CC1=C[N+](=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","BYLOGTYCZPYBRI-UHFFFAOYSA-N","132545057",NA,"PDBC25202","788910","Present"
-"4-morpholinecarbodithioic acid, antimony complex","","","","","","","","","","","","","","","","","","","","NSC625498///NSC625502","","","","",NA,"PDBC25203","625498///625502","Present"
-"4-n-Propyl-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride","","","","","","","","","","","","","","","","","","","","4-n-Propyl-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride","","CCCC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","JWMZFCYXYBWMLU-UHFFFAOYSA-N","373802",NA,"PDBC25204","650767","Present"
-"4-nitro-1,2,3-triazolo[4,5-e] benzofurazan","","","","","","","","","","","","","","","","","","","","4-nitro-1,2,3-triazolo[4,5-e] benzofurazan","","C1=C(C2=NON=C2C3=NNN=C31)[N+](=O)[O-]","UPBSKJLZVLKIQT-UHFFFAOYSA-N","6399355",NA,"PDBC25205","669452","Present"
-"4-thiomorpholinecarbodithioic acid, antimony complex","","","","","","","","","","","","","","","","","","","","4-thiomorpholinecarbodithioic acid, antimony complex","","","","",NA,"PDBC25206","625497","Present"
-"4-{2-[(2Z,4E)-2-(Benzoylamino)-5-phenylpenta-2,4-dienoyl]-1-methylhydrazino}-3-chloro-2-oxo-1-phenyl-2,5-dihydropyridinium","","","","","","","","","","","","","","","","","","","","N-[(2Z,4E)-1-[2-(5-Chloro-6-oxo-1-phenyl-3H-pyridin-1-ium-4-yl)-2-methylhydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide","","CN(C1=C(C(=O)[N+](=CC1)C2=CC=CC=C2)Cl)NC(=O)C(=CC=CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4","FRFHJEMATRXJPH-IOSQKCMWSA-O","5467721",NA,"PDBC25207","658336","Present"
-"4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-N-(2-methoxyphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-N-(2-methoxyphenyl)-2,4-dioxobutanamide","","COC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43","AMUNALPHHIVLDN-UHFFFAOYSA-N","369450",NA,"PDBC25208","641220","Present"
-"4-{3-[(4-Chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline","","","","","","","","","","","","","","","","","","","","2-(p-Aminophenyl)-5-(p-chlorophenoxy)methylenetriazolo[3...","","C1=CC(=CC=C1C2=NN3C(=NN=C3S2)COC4=CC=C(C=C4)Cl)N","IHXLYYIQXFWVCK-UHFFFAOYSA-N","405795",NA,"PDBC25209","723447","Present"
-"4-{4-[4-(6,8-Disulfo-naphthalen-2-ylazo)-3-methyl-phenylazo]-3-methyl-phenylazo}-3-hydroxy-naphthalene-2,7-disulfonic acid","","","","","","","","","","","","","","","","","","","","1,3-Naphthalenedisulfonic acid, 7-[[4-[[4-[(2-hydroxy- 3...","","CC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O","IYUCGDXZYHLGQX-UHFFFAOYSA-N","414999",NA,"PDBC25210","65847","Present"
-"4-{5-[1-(4-Methylphenyl)-1H-tetraazol-5-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl}morpholine","","","","","","","","","","","","","","","","","","","","4-[5-(1-p-Tolyl-1H-tetrazol-5-yl)-4-(3-trifluoromethyl-p...","","CC1=CC=C(C=C1)N2C(=NN=N2)C3=CN=C(N=C3C4=CC(=CC=C4)C(F)(F)F)N5CCOCC5","VTMWORFLCVJZQD-UHFFFAOYSA-N","11836143",NA,"PDBC25211","732132","Present"
-"4-{Bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1-butanol","","","","","","","","","","","","","","","","","","","","4-{bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1-but...","","CC1=CC(=NN1CN(CCCCO)CN2C(=CC(=N2)C)C)C","PPXWKEVIJFTSOY-UHFFFAOYSA-N","404569",NA,"PDBC25212","720865","Present"
-"4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide","","C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","CHQPFVHWSKGZMX-UHFFFAOYSA-N","391383",NA,"PDBC25213","690556","Present"
-"4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-pyrimidin-2-ylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-pyrimidin-2-ylbenzenesulfonamide","","C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5","ZFEZBTOWDVFBML-UHFFFAOYSA-N","391384",NA,"PDBC25214","690557","Present"
-"4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}benzenesulfonamide","","","","","","","","","","","","","","","","","","","","4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}benzenesulfonamide","","C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)N","GGHSLRUUWOQUIQ-UHFFFAOYSA-N","391385",NA,"PDBC25215","690558","Present"
-"4-{[4-(1H-Benzo[d]imidazol-2-yl)phenylamino]methylene}-3-met hyl-1H-pyrazol-5(4H)-one","","","","","","","","","","","","","","","","","","","","4-{[4-(1H-benzo[d]imidazol-2-yl)phenylamino]methylene}-3...","","CC1=C(C(=O)NN1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","UZYRZYVWDQENTQ-UHFFFAOYSA-N","135585459",NA,"PDBC25216","729789","Present"
-"42-mer Peptide, Ac-AM2AP (MW=5338.4)","","","","","","","","","","","","","","","","","","","","42-mer Peptide, Ac-AM2AP (MW=5338.4)","","","","",NA,"PDBC25217","705567","Present"
-"42-mer Peptide, Ac-W10AP (MW=5550.7)","","","","","","","","","","","","","","","","","","","","42-mer Peptide, Ac-W10AP (MW=5550.7)","","","","",NA,"PDBC25218","705566","Present"
-"4656AJ","","","","","","","","","","","","","","","","","","","","4656AJ","","CC(C)(C)OC(=O)NCCC1CNC2=CC=CC=C12","ZEQWYBCGYJDKQN-UHFFFAOYSA-N","394091",NA,"PDBC25219","697229","Present"
-"4973AH","","","","","","","","","","","","","","","","","","","","4973AH","","C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CC(C(=O)O)N","XKDUODGOACYEEU-UHFFFAOYSA-N","3413602",NA,"PDBC25220","58612","Present"
-"4A11-2F6 antibody","","","","","","","","","","","","","","","","","","","","4A11-2F6 antibody","","","","",NA,"PDBC25221","740292","Present"
-"4Balpha,10balpha:5beta,6beta:11beta,12beta-Trisepoxy-4b,5,6,10b,11,12-hexahydrochrysene","","","","","","","","","","","","","","","","","","","","(1R,2S,4S,11R,12S,14S)-3,13,21-Trioxaheptacyclo[9.9.1.01,11.02,4.05,10.012,14.015,20]henicosa-5,7,9,15,17,19-hexaene","","C1=CC=C2C(=C1)C3C(O3)C45C2(O4)C6C(O6)C7=CC=CC=C57","VKXNBAPCVVEWPZ-UXJCHEOYSA-N","397376",NA,"PDBC25222","705030","Present"
-"4C-hydroxy-variamycin","","","","","","","","","","","","","","","","","","","","4C-hydroxy-variamycin","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)(O)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC)C(=C4C(=C3C)O)O)O)O","WVZCVUIMRBCDPW-WAMQQGDBSA-N","155809234",NA,"PDBC25223","783299","Present"
-"4E-Keto-Mithramycin A","","","","","","","","","","","","","","","","","","","","4E-Keto-Mithramycin A","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(=O)C(O8)C)(C)O)C(=C4C(=C3C)O)O)O)O","DXHAESYIXMABOA-UDUYQSOBSA-N","155813640",NA,"PDBC25224","788586","Present"
-"4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione","","","","","","","","","","","","","","","","","","","","4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione","","C1C2=C3C(=CC=C2)COC(=O)C4=CC=CC(=C43)C(=O)O1","XFDQQQOSZNADKI-UHFFFAOYSA-N","362037",NA,"PDBC25225","625536","Present"
-"4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8,9-dihydro-8-(2-propenyl)-","","","","","","","","","","","","","","","","","","","","4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8,9-dihydro-8-(2-propenyl)-","","C=CCN1CC2=CC3=C4C(=C2OC1)C=CC=C4C(=O)O3","DRWCRTYHFMYYAE-UHFFFAOYSA-N","373970",NA,"PDBC25226","651002","Present"
-"4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8-(4-chlorophenyl)-8,9-dihydro-","","","","","","","","","","","","","","","","","","","","4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8-(4-chlorophenyl)-8,9-dihydro-","","C1C2=CC3=C4C(=C2OCN1C5=CC=C(C=C5)Cl)C=CC=C4C(=O)O3","PGVVYQXSSHMHRF-UHFFFAOYSA-N","373969",NA,"PDBC25227","651001","Present"
-"4H,Mn]pyrene-4,12-dione, 2-(1,1-dimethylethyl)-8-hydroxy-","","","","","","","","","","","","","","","","","","","","4H,12H-Dibenzo[cd,mn]pyrene-4,12-dione, 2-(1,1-dimethyle...","","CC(C)(C)C1=CC2=C(C3=C4C(=CC=C3)C(=O)C5=C6C4=C2C(=C1)C(=O)C6=CC=C5)O","ZCVWERGYGMHVOS-UHFFFAOYSA-N","357634",NA,"PDBC25228","617158","Present"
-"4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide","","","","","","","","","","","","","","","","","","","","4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide","","CCN1C2=CC=CC=C2S(=O)(=O)N=C1Cl","SIWVDIITQBPZGK-UHFFFAOYSA-N","198691",NA,"PDBC25229","373854","Present"
-"4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide","","","","","","","","","","","","","","","","","","","","4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide","","CN1C2=CC=CC=C2S(=O)(=O)N=C1Cl","RCISZGZSERFAFZ-UHFFFAOYSA-N","198690",NA,"PDBC25230","373853","Present"
-"4H-1,2,6,7,8-Pentathia-4-aza-s-indacene-3,5-dione","","","","","","","","","","","","","","","","","","","","4H-1,2,6,7,8-Pentathia-4-aza-s-indacene-3,5-dione","","C12=C(SC3=C(N1)C(=O)SS3)SSC2=O","LZUIJUKMDLVNIT-UHFFFAOYSA-N","402774",NA,"PDBC25231","716981","Present"
-"4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-dibutyl-","","","","","","","","","","","","","","","","","","","","4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-dibutyl-","","CCCC[Sn]1(OC2=C(C=CC(=C2)N)C(=O)O1)CCCC","DUBOSVIRXUWDTK-UHFFFAOYSA-L","16683126",NA,"PDBC25232","628561","Present"
-"4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-diphenyl-","","","","","","","","","","","","","","","","","","","","4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-diphenyl-","","C1=CC=C(C=C1)[Sn]2(OC3=C(C=CC(=C3)N)C(=O)O2)C4=CC=CC=C4","ZZZTUTZUPNGAHB-UHFFFAOYSA-L","16683127",NA,"PDBC25233","628562","Present"
-"4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-","","","","","","","","","","","","","","","","","","","","4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-(2-phenyleth...","","CC1(CCSC(=N1)C=CC2=CC=CC=C2)C","JNTQZYJXSXRQBP-CMDGGOBGSA-N","6078562",NA,"PDBC25234","150954","Present"
-"4H-1,4-Benzothiazine-2-carboxylic acid, 4-methyl-3-phenyl-, ethyl ester","","","","","","","","","","","","","","","","","","","","4H-1,4-Benzothiazine-2-carboxylic acid, 4-methyl-3-phenyl-, ethyl ester","","CCOC(=O)C1=C(N(C2=CC=CC=C2S1)C)C3=CC=CC=C3","HSBKWBGCWHXGII-UHFFFAOYSA-N","354059",NA,"PDBC25235","604290","Present"
-"4H-1,6,2-Dioxazaphosphocinium, 4-hexadecyltetrahydro-2,6,6-trimethyl-, bromide, 2-oxide","","","","","","","","","","","","","","","","","","","","4H-1,3,6,2-Dioxazaphosphocinium, 4-hexadecyltetrahydro- ...","","CCCCCCCCCCCCCCCCC1C[N+](CCOP(=O)(O1)C)(C)C.[Br-]","GJVZYQWEUPEDEU-DVASCVOVSA-M","9571955",NA,"PDBC25236","678144","Present"
-"4H-1-Benzopyran-2-carboxamide, 4-[(aminothioxomethyl)hydrazono]-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-3-methyl-, (4Z)-","","","","","","","","","","","","","","","","","","","","(4Z)-4-(Carbamothioylhydrazinylidene)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-3-methylchromene-2-carboxamide","","CC1=C(OC2=C(C1=NNC(=S)N)C=CC(=C2)O)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F","SVIMIXUSMWIVGH-YSMPRRRNSA-N","135499173",NA,"PDBC25237","642064","Present"
-"4H-1-Benzopyran-4-one, 3-(acetyloxy)-2-[2-(4-ethoxyphenyl)-4-thiazolyl]-","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 3-(acetyloxy)-2-[2-(4-ethoxyphenyl)-4-thiazolyl]-","","CCOC1=CC=C(C=C1)C2=NC(=CS2)C3=C(C(=O)C4=CC=CC=C4O3)OC(=O)C","JBHJZZHTMDDMLQ-UHFFFAOYSA-N","378563",NA,"PDBC25238","661202","Present"
-"4H-1-Benzopyran-4-one, 3-[(3,4-dimethoxyphenyl)methyl]-","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 3-[(3,4-dimethoxyphenyl)methyl]-","","COC1=C(C=C(C=C1)CC2=COC3=CC=CC=C3C2=O)OC","WHMBWOUGVNZHCX-UHFFFAOYSA-N","355691",NA,"PDBC25239","609800","Present"
-"4H-1-Benzopyran-4-one, 3-[(deoxyhexosyl)oxy]-2-(3,4-dihy...","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 3-[(deoxyhexosyl)oxy]-2-(3,4-dihy...","","","","",NA,"PDBC25240","167410","Present"
-"4H-1-Benzopyran-4-one, 6-hydroxy-2-(2,3,4-trimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 6-hydroxy-2-(2,3,4-trimethoxyphenyl)-","","COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O)OC)OC","JZKKBDHEMSLXMZ-UHFFFAOYSA-N","373141",NA,"PDBC25241","649084","Present"
-"4H-1-Benzopyran-4-one, 7-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-2-phenyl-","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 7-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-2-phenyl-","","C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5","VSRMJNSPSMHNEA-UHFFFAOYSA-N","371316",NA,"PDBC25242","645390","Present"
-"4H-1-Benzopyran-4-one, 7-hydroxy-2-(2,3,4-trimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 7-hydroxy-2-(2,3,4-trimethoxyphenyl)-","","COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)OC)OC","HBXWDZAQZGXSHT-UHFFFAOYSA-N","5467242",NA,"PDBC25243","649086","Present"
-"4H-1-Benzopyran-4-one,3-dihydro-7,8-dimethoxy-3-[(dimethylamino)methyl]-, hydrochloride","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 2,3-dihydro-7,8-dimethoxy- 3-[(di...","","CN(C)CC1COC2=C(C1=O)C=CC(=C2OC)OC.Cl","KPUJSODUEYQZBA-UHFFFAOYSA-N","355373",NA,"PDBC25244","608776","Present"
-"4H-1-Benzopyran-4-one,8-difluoro-7-methyl-,trihydrobromide","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 5-amino-2- [4-[[2-amino-5-guanidi...","","CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)C(CCCN=C(N)N)N)F)N)F.Br","HZKGNYOBJKFGRN-UHFFFAOYSA-N","396727",NA,"PDBC25245","703357","Present"
-"4H-1-Benzopyran-6-carboxaldehyde, 6-[O-(ethyl)oxime]","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one,6-[[(ethoxy)imino]methyl]-2-phenyl-","","CCON=CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3","MUXBPGNSFGGFPI-UNOMPAQXSA-N","9572386",NA,"PDBC25246","715142","Present"
-"4H-1-Benzopyran-8-carboxamide, 6,7-dimethyl-4-oxo-2-(4-pyridinyl)-","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-8-carboxamide, 6,7-dimethyl-4-oxo-2-(4-pyridinyl)-","","CC1=CC2=C(C(=C1C)C(=O)N)OC(=CC2=O)C3=CC=NC=C3","LMKGJHQEIQMDOD-UHFFFAOYSA-N","367587",NA,"PDBC25247","637419","Present"
-"4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-","","","","","","","","","","","","","","","","","","","","4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-","","CS(=O)C1=CC(=O)C2=CC=CC=C2S1","KVLAIBRBZGWARL-UHFFFAOYSA-N","360259",NA,"PDBC25248","622281","Present"
-"4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-","","","","","","","","","","","","","","","","","","","","4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-","","CS(=O)(=O)C1=CC(=O)C2=CC=CC=C2S1","OOJMVHRMWQYPHX-UHFFFAOYSA-N","360260",NA,"PDBC25249","622282","Present"
-"4H-4a,7-Methanooxazirino[3,2-i][2,1]benzisothiazole, tetrahydro-8,8-dimethyl-, 3,3-dioxide","","","","","","","","","","","","","","","","","","","","4H-4a,7-Methanooxazirino[3,2-i][2,1]benzisothiazole, tetrahydro-8,8-dimethyl-, 3,3-dioxide","","CC1(C2CCC3(C2)C14N(O4)S(=O)(=O)C3)C","FFWFDGNDTZYXOE-UHFFFAOYSA-N","374570",NA,"PDBC25250","652544","Present"
-"4H-Benzo[h][1,4]benzothiazine-3-thione","","","","","","","","","","","","","","","","","","","","4H-Benzo[h][1,4]benzothiazine-3-thione","","C1C(=S)NC2=C(S1)C3=CC=CC=C3C=C2","QRKULOHBEXBATE-UHFFFAOYSA-N","3005004",NA,"PDBC25251","667465","Present"
-"4H-Cyclopenta[c]thiophen-4-one,3,5-tribromo-5,6-dihydro-6-[(trifluoroacetyl)amino]-, trans-","","","","","","","","","","","","","","","","","","","","Acetamide, N-(1,3,5-tribromo-5,6-dihydro-4-oxo-4H-cyclop...","","C1(C(C(=O)C2=C(SC(=C21)Br)Br)Br)NC(=O)C(F)(F)F","IFSRPZREBSTVHH-SRBOSORUSA-N","378805",NA,"PDBC25252","662124","Present"
-"4H-Cyclopenta[c]thiophen-4-one,3-dibromo-5,6-dihydro-, hydrochloride","","","","","","","","","","","","","","","","","","","","4H-Cyclopenta[c]thiophen-4-one, 6-amino-1,3-dibromo- 5,6...","","C1C(C2=C(SC(=C2C1=O)Br)Br)N.Cl","HXCFEYYELAIKBY-UHFFFAOYSA-N","378794",NA,"PDBC25253","662116","Present"
-"4H-Cyclopenta[c]thiophen-4-one,6-dihydro-, hydrochloride","","","","","","","","","","","","","","","","","","","","4H-Cyclopenta[c]thiophen-4-one, 6-amino-1-chloro-5,6-dih...","","C1C(C2=C(SC=C2C1=O)Cl)N.Cl","JTQKEKROKUEZIX-UHFFFAOYSA-N","396931",NA,"PDBC25254","704115","Present"
-"4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride","","","","","","","","","","","","","","","","","","","","4H-Cyclopenta[c]thiophene-4-one, 6-amino- 1,3-dichloro-5...","","C1C(C2=C(SC(=C2C1=O)Cl)Cl)N.Cl","QUFODXVQEAEWKE-UHFFFAOYSA-N","378799",NA,"PDBC25255","662120","Present"
-"4H-Imidazol-4-one, 5-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-2-(2-chloro-5-nitrophenyl)-3,5-dihydro-3-(phenylsulfonyl)-, (5Z)-","","","","","","","","","","","","","","","","","","","","3-[4-[(Z)-[1-(Benzenesulfonyl)-2-(2-chloro-5-nitrophenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile","","C1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","QWKSIPIXHVKNIR-ITYLOYPMSA-N","6184586",NA,"PDBC25256","642574","Present"
-"4H-Palmatine N-oxide","","","","","","","","","","","","","","","","","","","","4H-Palmatine N-oxide","","COC1=C(C2=C(CC3C4=CC(=C(C=C4CC[N+]3(C2)[O-])OC)OC)C=C1)OC","QYEMUDHNCZHUKC-UHFFFAOYSA-N","371204",NA,"PDBC25257","645254","Present"
-"4H-Pyrano[2,3-a]acridin-4-one, 12-amino-2-phenyl-","","","","","","","","","","","","","","","","","","","","2-Phenyl-12-amino-4H-1-oxa-7-azabenz[a]anthracen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C5=CC=CC=C5N=C4C=C3)N","KJASZOGBCZIQRO-UHFFFAOYSA-N","385046",NA,"PDBC25258","675967","Present"
-"4H-Pyrazolo[1,5-a]indol-4-one semicarbazone","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[1,5-a]indol-4-one semicarbazone","","C1=CC=C2C(=C1)C(=C3N2NC=C3)N=NC(=O)N","XLJLKFNJRDJICY-UHFFFAOYSA-N","380997",NA,"PDBC25259","666974","Present"
-"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-4-(2-nitropheyl)-1-(phenylacetyl)-","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-4- (2-n...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3[N+](=O)[O-])C(=O)CC4=CC=CC=C4","UMYAYJQJVGJRLG-UHFFFAOYSA-N","376461",NA,"PDBC25260","657375","Present"
-"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-4-phenyl-1-(phenylacetyl)-","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-4- phen...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4","LWSAWOCJQJKXEL-UHFFFAOYSA-N","376455",NA,"PDBC25261","657369","Present"
-"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(3,4-dimethoxyphenyl)-3-methyl-1-[(4-pyridinyl)carbonyl]-","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(3,4- dimethox...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=NC=C4","YRLAITACTMMMCU-UHFFFAOYSA-N","376867",NA,"PDBC25262","657986","Present"
-"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-chlorophenyl)-3-methyl-1-[(4-pyridinyl)carbonyl]-","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-chloropheny...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)Cl)C(=O)C4=CC=NC=C4","FTVCYNWDCDFJME-UHFFFAOYSA-N","376863",NA,"PDBC25263","657982","Present"
-"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-hydroxyphenyl)-3-methyl-1-(phenylacetyl)-","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-hydroxy phe...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)O)C(=O)CC4=CC=CC=C4","KZIIHHQRCNRCIL-UHFFFAOYSA-N","376460",NA,"PDBC25264","657374","Present"
-"4H-Pyrido[1,2-a]pyrimidin-4-one, 6-methyl-2-phenyl-","","","","","","","","","","","","","","","","","","","","4H-Pyrido[1,2-a]pyrimidin-4-one, 6-methyl-2-phenyl-","","CC1=CC=CC2=NC(=CC(=O)N12)C3=CC=CC=C3","VENOCGRRHSRJKR-UHFFFAOYSA-N","377421",NA,"PDBC25265","658864","Present"
-"4H-Pyrido[1,2-a]pyrimidin-4-one, 8-methyl-2-phenyl-","","","","","","","","","","","","","","","","","","","","4H-Pyrido[1,2-a]pyrimidin-4-one, 8-methyl-2-phenyl-","","CC1=CC2=NC(=CC(=O)N2C=C1)C3=CC=CC=C3","GZKULHFHGSQYTP-UHFFFAOYSA-N","377423",NA,"PDBC25266","658866","Present"
-"4H-Pyrrolo[2,1-c][1,4]benzothiazine-4-carbonitrile","","","","","","","","","","","","","","","","","","","","4H-Pyrrolo[2,1-c][1,4]benzothiazine-4-carbonitrile","","C1=CC=C2C(=C1)N3C=CC=C3C(S2)C#N","YAPOHDRLWFYBPW-UHFFFAOYSA-N","361711",NA,"PDBC25267","624952","Present"
-"4H-Quinolizin-4-one, 3-(2-pyridinyl)-1-(3-pyridinylcarbonyl)-","","","","","","","","","","","","","","","","","","","","4H-Quinolizin-4-one, 3-(2-pyridinyl)-1-(3-pyridinylcarbo...","","C1=CC=NC(=C1)C2=CC(=C3C=CC=CN3C2=O)C(=O)C4=CN=CC=C4","TWPLDXHBNFYCJP-UHFFFAOYSA-N","331544",NA,"PDBC25268","324623","Present"
-"4H-Thiopyran-4-one,5-bis(p-methoxybenzylidene)-, 1,1-dioxide","","","","","","","","","","","","","","","","","","","","4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylid...","","COC1=CC=C(C=C1)C=C2CS(=O)(=O)CC(=CC3=CC=C(C=C3)OC)C2=O","NXXRLIAVYCJUJL-JYFOCSDGSA-N","6310035",NA,"PDBC25269","144302","Present"
-"4H-Thiopyran-4-one,5-bis[(3,4-dimethoxyphenyl) methylene]-tetrahydro-","","","","","","","","","","","","","","","","","","","","4H-Thiopyran-4-one, 3,5-bis[(3,4-dimethoxyphenyl) methyl...","","COC1=C(C=C(C=C1)C=C2CSCC(=CC3=CC(=C(C=C3)OC)OC)C2=O)OC","SXZBYUVSZLNKJM-XFQWXJFMSA-N","45280986",NA,"PDBC25270","144310","Present"
-"4H-[1,2,4]Dithiazino[5,4-a]isoquinoline-4-thione, 1-(3,4-dimethoxyphenyl)-6,7-dihydro-9,10-dimethoxy-","","","","","","","","","","","","","","","","","","","","1-(3,4-Dimethoxyphenyl)-9,10-dimethoxy-6,7-dihydro-[1,2,4]dithiazino[5,4-a]isoquinoline-4-thione","","COC1=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4CCN3C(=S)SS2)OC)OC)OC","JCSMQORDTZEHEB-UHFFFAOYSA-N","363054",NA,"PDBC25271","627603","Present"
-"4H-[1,4]Thiazino[3,2-c]quinoline-3-thione","","","","","","","","","","","","","","","","","","","","4H-[1,4]Thiazino[3,2-c]quinoline-3-thione","","C1C(=S)NC2=C(S1)C3=CC=CC=C3N=C2","YMEHBYXWBRQUML-UHFFFAOYSA-N","3005005",NA,"PDBC25272","667466","Present"
-"4H-[1]Benzopyrano[2,3-d]pyrimidin-4-one, 2,3-dihydro-2-phenyl-","","","","","","","","","","","","","","","","","","","","4H-[1]Benzopyrano[2,3-d]pyrimidin-4-one, 2,3-dihydro-2-p...","","C1=CC=C(C=C1)C2NC(=O)C3=CC4=CC=CC=C4OC3=N2","YHSNMJKVNPGZPI-UHFFFAOYSA-N","319428",NA,"PDBC25273","263637","Present"
-"4HK6BOI7TS","","","","","","","","","","","","","","","","","","","","4HK6BOI7TS","","CCN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCO","BHDPDPOTBJSYME-UHFFFAOYSA-N","302044",NA,"PDBC25274","183519","Present"
-"4HO2NF1XS3","","","","","","","","","","","","","","","","","","","","4HO2NF1XS3","","C1=CC=C2C(=C1)C3=C(C(=O)O2)SC4=CC=CC=C4N3","BUPPVTUKPWAYCH-UHFFFAOYSA-N","338569",NA,"PDBC25275","361671","Present"
-"4SC-202","","","","","","","","","","","","","","","","","","","","4SC-202","","","","",NA,"PDBC25276","759905","Present"
-"4[(Z)-2-(4-Nitrophenyl)ethenyl]-6-(4-phenylpiperazin-1-yl)-1,5-triazin-2-ylamine","","","","","","","","","","","","","","","","","","","","4[(Z)-2-(4-nitrophenyl)ethenyl]-6-(4-phenylpiperazin-1-y...","","C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N)C=CC4=CC=C(C=C4)[N+](=O)[O-]","NXSDNAQVYRZKBG-FLIBITNWSA-N","24205519",NA,"PDBC25277","736074","Present"
-"4a',8'-Dichloro-5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,2'-quinazolin]-4'(4a'H)-one","","","","","","","","","","","","","","","","","","","","4a',8'-Dichloro-5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,2'-quinazolin]-4'(4a'H)-one","","C1CCC2(CC1)NC(=O)C3(CCCC(C3=N2)Cl)Cl","ASJBUOKNTTYTBM-UHFFFAOYSA-N","381562",NA,"PDBC25278","668351","Present"
-"4a(2H)-Naphthalenecarboxylic acid, octahydro-, trans-","","","","","","","","","","","","","","","","","","","","cis-9-Carboxydecalin","","C1CCC2(CCCCC2C1)C(=O)O","VAMBVWHKUJPMEB-UHFFFAOYSA-N","18185",NA,"PDBC25279","643018","Present"
-"4a,4b-Dimethyltetrahydrocyclopropa[cd]pentalene-2,3(1H,2aH)-dione","","","","","","","","","","","","","","","","","","","","1,5-Dimethyltricyclo[3.3.0.02,8]octane-3,7-dione","","CC12CC(=O)C3C1(C3C(=O)C2)C","ULHYKDOPGVYDCC-UHFFFAOYSA-N","390952",NA,"PDBC25280","689205","Present"
-"4a,5,5a,7,8,13a,15,15a,15b,16-Decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;1-(3-carboxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","4a,5,5a,7,8,13a,15,15a,15b,16-Decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;1-(3-carboxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid","","CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C(=O)O.C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75","KTZBSILKJZMURY-UHFFFAOYSA-N","5458343",NA,"PDBC25281","159228","Present"
-"4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione","","","","","","","","","","","","","","","","","","","","4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione","","C1C=CCC2(C1(C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl","BATMELCQLQGSTJ-UHFFFAOYSA-N","233733",NA,"PDBC25282","32692","Present"
-"4a,5a-Epoxyhelianol","","","","","","","","","","","","","","","","","","","","4a,5a-Epoxyhelianol","","CC(CCC=C(C)C)C1CCC2(C1(CCC3(C2CCC4(C3CCCO)C(O4)(C)C)C)C)C","AYKJELVQNBIBDG-HVNHQXPWSA-N","24202869",NA,"PDBC25283","726133","Present"
-"4a,5a-Epoxyhelianyl octanoate","","","","","","","","","","","","","","","","","","","","4a,5a-Epoxyhelianyl octanoate","","CCCCCCCC(=O)OCCCC1C2(CCC3(C(CCC3(C2CCC14C(O4)(C)C)C)C(C)CCC=C(C)C)C)C","SRERAYKYXNJZNV-MFYBMULDSA-N","54612625",NA,"PDBC25284","726134","Present"
-"4a,8a-Dihydro-2-quinoxalinyl-N-benzylmethanesulfonamide","","","","","","","","","","","","","","","","","","","","4a,8a-Dihydro-2-quinoxalinyl-N-benzylmethanesulfonamide","","C1=CC=C(C=C1)CNS(=O)(=O)CC2=NC3C=CC=CC3N=C2","QUPWKWAFQDBZKW-UHFFFAOYSA-N","370229",NA,"PDBC25285","642999","Present"
-"4a-Chloro-10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","4a-Chloro-10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione","","CCN1C2=CC=CC=C2C(C3(C1=NC(=O)N(C3=O)C)Cl)C(SC)S(=O)(=O)C4=CC=C(C=C4)C","WEWIUIRZQURFFB-UHFFFAOYSA-N","370138",NA,"PDBC25286","642728","Present"
-"4a-Chloro-3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","4a-Chloro-3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione","","CC1=CC=C(C=C1)S(=O)(=O)C(C2C3=CC=CC=C3N(C4=NC(=O)N(C(=O)C24Cl)C)C)SC","CIUUFXLEJPMUSA-UHFFFAOYSA-N","370137",NA,"PDBC25287","642727","Present"
-"4a-Chloro-3-methyl-10-(4-methylphenyl)-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","4a-Chloro-3-methyl-10-(4-methylphenyl)-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione","","CC1=CC=C(C=C1)N2C3=CC=CC=C3C(C4(C2=NC(=O)N(C4=O)C)Cl)C(SC)S(=O)(=O)C5=CC=C(C=C5)C","XKVYEMJUDJRJJL-UHFFFAOYSA-N","370139",NA,"PDBC25288","642729","Present"
-"4a-Ethyl-1-methyl-4-phenylsulfanyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-7-ol","","","","","","","","","","","","","","","","","","","","4a-Ethyl-1-methyl-4-phenylsulfanyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-7-ol","","CCC12CCC(C1N(CCC2SC3=CC=CC=C3)C)O","KXKOAQZKAXUINI-UHFFFAOYSA-N","357688",NA,"PDBC25289","617205","Present"
-"4a-Hydroperoxy-4,8a-dimethyl-6-(6-methyl-4-oxoheptan-2-yl)-5,6,7,8-tetrahydro-1H-naphthalen-2-one","","","","","","","","","","","","","","","","","","","","NSC687956///NSC687957","","CC1=CC(=O)CC2(C1(CC(CC2)C(C)CC(=O)CC(C)C)OO)C","NSYIWDWDFMSPJJ-UHFFFAOYSA-N","390516",NA,"PDBC25290","687956///687957","Present"
-"4a-Methyl-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one","","","","","","","","","","","","","","","","","","","","LS-33734","","CC12CCC3=CC=CC=C3C1=NNC(=O)C2","XXPJSJVCOUWWCD-UHFFFAOYSA-N","369353",NA,"PDBC25291","641109","Present"
-"4a-Methyl-4,5-dihydro-2H-indeno[1,2-c]pyridazin-3-one","","","","","","","","","","","","","","","","","","","","4a-Methyl-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one","","CC12CC3=CC=CC=C3C1=NNC(=O)C2","CIJILHCZVGEYSL-UHFFFAOYSA-N","371429",NA,"PDBC25292","645649","Present"
-"4a-Methylspiro[1,2,3,4,4b,5,6,9,10,10a-decahydrophenanthrene-7,2'-1,3-dithiolane]-1-ol","","","","","","","","","","","","","","","","","","","","4a-methylspiro[1,2,3,4,4b,5,6,9,10,10a-decahydrophenanthrene-7,2'-1,3-dithiolane]-1-ol","","CC12CCCC(C1CCC3=CC4(CCC23)SCCS4)O","DJORWESWXNGTQA-UHFFFAOYSA-N","372318",NA,"PDBC25293","647377","Present"
-"4a-Phenyl-2,3,4,5-tetrahydropyrido[1,2-a]benzimidazol-1-one","","","","","","","","","","","","","","","","","","","","4a-Phenyl-3,4,4a,5-tetrahydropyrido[1,2-a]benzimidazol-1(2h)-one","","C1CC(=O)N2C3=CC=CC=C3NC2(C1)C4=CC=CC=C4","PVMDQNWDMMDSCD-UHFFFAOYSA-N","402100",NA,"PDBC25294","715821","Present"
-"4alpha-Methylergosta-8,11-dion-26-oic acid","","","","","","","","","","","","","","","","","","","","Antcin A","","CC1C2CC(=C)C3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C","AOHVXUIUIGQIIP-TZPKLYSRSA-N","387396",NA,"PDBC25295","681144","Present"
-"4b,10b,11,12-Tetrahydro-6(5H)-chrysenone","","","","","","","","","","","","","","","","","","","","4b,10b,11,12-Tetrahydro-6(5H)-chrysenone","","C1CC2=CC=CC=C2C3C1C4=CC=CC=C4C(=O)C3","IMCFKEKBLFADHG-UHFFFAOYSA-N","348345",NA,"PDBC25296","407613","Present"
-"4b,13b-Dibromo-4b,13b-dihydrobenzo[b]benzo[3,4]cyclobuta[1,2-d]benzo[f]thiepine","","","","","","","","","","","","","","","","","","","","4b,13b-Dibromo-4b,13b-dihydrobenzo[b]benzo[3,4]cyclobuta[1,2-d]benzo[f]thiepine","","C1=CC=C2C(=C1)C3(C2(C4=CC=CC=C4SC5=CC=CC=C53)Br)Br","SVXQIOYAEZQALQ-UHFFFAOYSA-N","363741",NA,"PDBC25297","628932","Present"
-"4b,5,9b,10-Tetrahydroindeno[2,1-a]indene-5,10-diol","","","","","","","","","","","","","","","","","","","","4b,5,9b,10-Tetrahydroindeno[2,1-a]indene-5,10-diol","","C1=CC=C2C(C3C(C2=C1)C(C4=CC=CC=C34)O)O","ZHODMXFAYOBKEZ-UHFFFAOYSA-N","361737",NA,"PDBC25298","624979","Present"
-"4b,7,9b-Trihydroxy-5,9b-dihydroindeno[1,2-b]indol-10(4bH)-one","","","","","","","","","","","","","","","","","","","","4b,7,9b-Trihydroxy-5,9b-dihydroindeno[1,2-b]indol-10(4bH)-one","","C1=CC=C2C(=C1)C(=O)C3(C2(NC4=C3C=CC(=C4)O)O)O","JJSGUOMQPXUGKW-UHFFFAOYSA-N","368008",NA,"PDBC25299","638237","Present"
-"4b,9,9b-Trihydroxyindeno[1,2-b]benzofuran-10-one","","","","","","","","","","","","","","","","","","","","4b,9,9b-Trihydroxyindeno[1,2-b]benzofuran-10-one","","C1=CC=C2C(=C1)C(=O)C3(C2(OC4=CC=CC(=C43)O)O)O","KKHBRWHPOSULMF-UHFFFAOYSA-N","368011",NA,"PDBC25300","638240","Present"
-"4b,9a-Dihydro-4b,9a-diphospha-9,10-dithiaindeno[1,2-a]indene","","","","","","","","","","","","","","","","","","","","[1,2,3]Benzothiadiphospholo[2,3-b][1,2,3]benzothiadiphosphole","","C1=CC=C2C(=C1)P3C4=CC=CC=C4SP3S2","OCGBCYFRMLQUHM-UHFFFAOYSA-N","362962",NA,"PDBC25301","627453","Present"
-"4b-(4-Chlorophenyl)-6,11-dihydro-5H-isoindolo[2,1-b][2,4]benzodiazepin-13-one","","","","","","","","","","","","","","","","","","","","4b-(4-Chlorophenyl)-6,11-dihydro-5H-isoindolo[2,1-b][2,4]benzodiazepin-13-one","","C1C2=CC=CC=C2CN3C(=O)C4=CC=CC=C4C3(N1)C5=CC=C(C=C5)Cl","SBXMNLLYRHZOLC-UHFFFAOYSA-N","395644",NA,"PDBC25302","700426","Present"
-"4b-Hydroxy-10,10-dimethoxy-9aH-indeno[1,2-a]inden-9-one","","","","","","","","","","","","","","","","","","","","4b-Hydroxy-10,10-dimethoxy-9aH-indeno[1,2-a]inden-9-one","","COC1(C2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C41)O)OC","XMAFWSHOTJIKIO-UHFFFAOYSA-N","363252",NA,"PDBC25303","628000","Present"
-"4b-Methyl-5H-isoindolo[2,1-a]benzimidazol-11-one","","","","","","","","","","","","","","","","","","","","SQCXGPKAYHPKFP-UHFFFAOYSA-N","","CC12C3=CC=CC=C3C(=O)N1C4=CC=CC=C4N2","SQCXGPKAYHPKFP-UHFFFAOYSA-N","390170",NA,"PDBC25304","687316","Present"
-"4beta-Hydroxywithanolide E","","","","","","","","","","","","","","","","","","","","withanolide e, 4-b-hydroxy-","","CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)O)O)C","UPBUGICUKQIKTJ-KABTZXSUSA-N","73621",NA,"PDBC25305","212509","Present"
-"4e20","","","","","","","","","","","","","","","","","","","","4e20","","CCN(CC)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23","RHVPFAMWEKAIHJ-FMIVXFBMSA-N","5473443",NA,"PDBC25306","4240","Present"
-"4jr5","","","","","","","","","","","","","","","","","","","","4jr5","","C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3","NIADLWNDYLCGNO-UHFFFAOYSA-N","2803102",NA,"PDBC25307","247022","Present"
-"4rlk","","","","","","","","","","","","","","","","","","","","4rlk","","C1=CC=C2C(=C1)C3=CC=CC=C3C2=NN=CC4=CC=C(C=C4)C(=O)O","UDYNXPSETJWNEU-LPYMAVHISA-N","5351986",NA,"PDBC25308","120688","Present"
-"5'(2',2'-Difluoro-2'-deoxycytidine) 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate","","","","","","","","","","","","","","","","","","","","5'(2',2'-difluoro-2'-deoxycytidine) 5-nitrofurfuryl N-me...","","CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(F)F)O)OCC3=CC=C(O3)[N+](=O)[O-]","VYOGFXOEPZYEJF-UHFFFAOYSA-N","24204454",NA,"PDBC25309","731981","Present"
-"5', 5'-Deoxy-5'-(2-hydroxyethyl)-,(R)","","","","","","","","","","","","","","","","","","","","5',6-Cyclouridine, 5'-deoxy-5'-(2-hydroxyethyl)-,(R)","","C1=C2C(C3C(C(C(N2C(=O)NC1=O)O3)O)O)CCO","PWMCYEQTMFUEHJ-FRDRMYAUSA-N","6711644",NA,"PDBC25310","634016","Present"
-"5', 5'-Deoxy-5'-(2-hydroxyethyl)-,(S)","","","","","","","","","","","","","","","","","","","","5',6-Cyclouridine, 5'-deoxy-5'-(2-hydroxyethyl)-,(S)","","C1=C2C(C3C(C(C(N2C(=O)NC1=O)O3)O)O)CCO","PWMCYEQTMFUEHJ-RTEWBAISSA-N","6711645",NA,"PDBC25311","634017","Present"
-"5',3'''-Dihydroxyamentoflavone","","","","","","","","","","","","","","","","","","","","5',3'''-Dihydroxyamentoflavone","","C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C(=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O)O","BRFJUPCQCZSTEU-UHFFFAOYSA-N","5469099",NA,"PDBC25312","683135","Present"
-"5',5',6-Trimethyl-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-thione","","","","","","","","","","","","","","","","","","","","5,5,6'-Trimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-thione","","CC1=CC2=C(C=C1)OC3(C=C2)C(OC(=S)N3C4=CC=CC=C4)(C)C","XLGDTDCOSGHPFA-UHFFFAOYSA-N","392265",NA,"PDBC25313","692406","Present"
-"5',5'-Dimethyl-3'-phenyl-spiro[benzo[g]chromene-2,4'-oxazolidine]-2'-thione","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-thione","","CC1(C2(C=CC3=CC4=CC=CC=C4C=C3O2)N(C(=S)O1)C5=CC=CC=C5)C","FSEHWEMHYLMOFB-UHFFFAOYSA-N","392266",NA,"PDBC25314","692407","Present"
-"5',5'-Dimethyl-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-thione","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-thione","","CC1(C2(C=CC3=CC=CC=C3O2)N(C(=S)O1)C4=CC=CC=C4)C","OIRGKEOLHYXKMJ-UHFFFAOYSA-N","392264",NA,"PDBC25315","692405","Present"
-"5',5'-Dimethyl-6,8-dinitro-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-one","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-6',8'-dinitro-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-one","","CC1(C2(C=CC3=C(O2)C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N(C(=O)O1)C4=CC=CC=C4)C","UKMDLFSPDCIEIP-UHFFFAOYSA-N","392263",NA,"PDBC25316","692404","Present"
-"5',6'-Dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione","","","","","","","","","","","","","","","","","","","","5',6'-Dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione","","CC1=CC2=C(C=C1C)C(=O)C3(C2)CC4=C(C3=O)C=C5CCCC5=C4","RIKFMTJIAUIXIL-UHFFFAOYSA-N","393820",NA,"PDBC25317","696641","Present"
-"5',6,7,7'-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","5',6,7,7'-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=C(C2=C(CC3(C2=O)CC4=CC(=CC(=C4C3=O)C)C)C=C1)C","TWQKCPQAOKRRQX-UHFFFAOYSA-N","393825",NA,"PDBC25318","696646","Present"
-"5'-Allyl-2'-hydroxy-3,3',4-trimethoxy chalcone","","","","","","","","","","","","","","","","","","","","5'-Allyl-2'-hydroxy-3,3',4-trimethoxy chalcone","","COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=CC(=C2)CC=C)OC)O)OC","ULTGOGCFAAQLHT-VQHVLOKHSA-N","5459194",NA,"PDBC25319","641522","Present"
-"5'-Amino-1,2',3-tetrahydrospiro[benzimidazole-2,3'-pyrazo le]-4'-carbonitrile","","","","","","","","","","","","","","","","","","","","5'-Amino-1,1',2',3-tetrahydrospiro[benzimidazole-2,3'-py...","","C1=CC=C2C(=C1)NC3(N2)C(C(=NN3)N)C#N","UKSKCCXBPLJTOH-UHFFFAOYSA-N","24203820",NA,"PDBC25320","729678","Present"
-"5'-Amino-2',3-benzothiazole-2,3'-pyraz ole]-4'-carbonitrile","","","","","","","","","","","","","","","","","","","","5'-Amino-2',4'-dihydro-3H-spiro[1,3-benzothiazole-2,3'-p...","","C1=CC=C2C(=C1)NC3(S2)C(C(=NN3)N)C#N","XBUYYQZXMFESAO-UHFFFAOYSA-N","24203986",NA,"PDBC25321","730307","Present"
-"5'-Arabinocytosyl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate","","","","","","","","","","","","","","","","","","","","5'-Arabinocytosyl 5-nitrofurfuryl N-methyl-N-(4-chlorobu...","","CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OCC3=CC=C(O3)[N+](=O)[O-]","DBZSAYCDXAPJNK-UHFFFAOYSA-N","404844",NA,"PDBC25322","721388","Present"
-"5'-Biotin Phosphoramidite","","","","","","","","","","","","","","","","","","","","BP-22493","","CC(C)N(C(C)C)P(OCCCCCCNC(=O)CCCCC1C2C(CS1)N(C(=O)N2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OCCC#N","RBXYKQBFPLXSJS-UHFFFAOYSA-N","373258",NA,"PDBC25323","649352","Present"
-"5'-Chloro-2'-methoxy-3-nitrosalicylanilide","","","","","","","","","","","","","","","","","","","","5'-Chloro-2'-methoxy-3-nitrosalicylanilide","","COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","SXKNMJHRHWIFCI-UHFFFAOYSA-N","186169",NA,"PDBC25324","79459","Present"
-"5'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide","","","","","","","","","","","","","","","","","","","","naphtazol c","","CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O","XZOACPDZZYNJER-UHFFFAOYSA-N","67275",NA,"PDBC25325","37187","Present"
-"5'-Chloro-4,2'-dihydroxychalcone","","","","","","","","","","","","","","","","","","","","5'-Chloro-4,2'-dihydroxychalcone","","C1=CC(=CC=C1C=CC(=O)C2=C(C=CC(=C2)Cl)O)O","KXLQQFWERKUYLC-XVNBXDOJSA-N","5387866",NA,"PDBC25326","628749","Present"
-"5'-Formyl-2,5-bis(2'-selenyl)-N-methylpyrrol","","","","","","","","","","","","","","","","","","","","5'-Formyl-2,5-bis(2'-selenyl)-N-methylpyrrol","","CN1C(=CC=C1C2=CC=C([Se]2)C=O)C3=CC=C[Se]3","UAYWRURRGNAXRE-UHFFFAOYSA-N","394652",NA,"PDBC25327","698254","Present"
-"5'-Hydromethyl-2,5-bis-(2'selenyl)-N-methylpyrrol","","","","","","","","","","","","","","","","","","","","5'-Hydromethyl-2,5-bis-(2'selenyl)-N-methylpyrrol","","CN1C(=CC=C1C2=CC=C([Se]2)CO)C3=CC=C[Se]3","HBCHTTSHJKPLDF-UHFFFAOYSA-N","394653",NA,"PDBC25328","698255","Present"
-"5'-Iodoindirubin","","","","","","","","","","","","","","","","","","","","5'-Iodoindirubin","","C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)I)O","JCJGSZCPPTXTGO-UHFFFAOYSA-N","124286",NA,"PDBC25329","717816","Present"
-"5'-O-(Dimethoxytrityl)-N(sup 1)-(2-nitrobenzyl)-2-azainosine","","","","","","","","","","","","","","","","","","","","5'-O-(Dimethoxytrityl)-N(sup 1)-(2-nitrobenzyl)-2-azaino...","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(O4)N5C=NC6=C5N=NN(C6=O)CC7=CC=CC=C7[N+](=O)[O-])O)O","RQSLPIDCZACCJF-UHFFFAOYSA-N","390777",NA,"PDBC25330","688542","Present"
-"5'-O-(Glycylsulfamoyl)adenosine","","","","","","","","","","","","","","","","","","","","NSC789934","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)NC(=O)CN)O)O)N","AMWPZASLDLLQFT-JJNLEZRASA-N","9909127",NA,"PDBC25331","789934","Present"
-"5'-O-Methylsulfamoyl adenosine","","","","","","","","","","","","","","","","","","","","5'-O-Methylsulfamoyl adenosine","","CNS(=O)(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O","CRTXBJCXARLOOM-UHFFFAOYSA-N","60147778",NA,"PDBC25332","752407","Present"
-"5'-O-Trimethylacetyl-2',3'-dideoxyguanosine","","","","","","","","","","","","","","","","","","","","5'-O-Trimethylacetyl-2',3'-dideoxyguanosine","","CC(C)(C)C(=O)OCC1CCC(O1)N2C=NC3=C2N=C(NC3=O)N","MGTHLBNNNHVXAL-UHFFFAOYSA-N","135450318",NA,"PDBC25333","639697","Present"
-"5'-Phenyl-2',4'-dihydrospiro[indole-3,3'-pyrazol]-2(1H)-one","","","","","","","","","","","","","","","","","","","","5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyrazol]-2-one","","C1C(=NNC12C3=CC=CC=C3NC2=O)C4=CC=CC=C4","SIJIIIOIMOOJHY-UHFFFAOYSA-N","3728239",NA,"PDBC25334","767491","Present"
-"5'-Sulfamoyl-2-chloroadenosine","","","","","","","","","","","","","","","","","","","","AT-265","","C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COS(=O)(=O)N)O)O)Cl)N","JHUGCRSKMUFKHR-UUOKFMHZSA-N","125623",NA,"PDBC25335","797393","Present"
-"5'-[5-(Hydroxymethyl)-2-thienyl]-2,2'-bifuran-5-methanol","","","","","","","","","","","","","","","","","","","","(5-(5'-(hydroxymethyl)-[2,2'-bifuran]-5-yl)thiophen-2-yl...","","C1=C(OC(=C1)C2=CC=C(O2)C3=CC=C(S3)CO)CO","PKHWPMSVTXOQMF-UHFFFAOYSA-N","71530011",NA,"PDBC25336","777196","Present"
-"5'-acetyl-2,2'-spirobi[indane]-1-one","","","","","","","","","","","","","","","","","","","","5'-acetyl-2,2'-spirobi[indane]-1-one","","CC(=O)C1=CC2=C(CC3(C2)CC4=CC=CC=C4C3=O)C=C1","SCSSDIICEJWFDF-UHFFFAOYSA-N","385662",NA,"PDBC25337","677008","Present"
-"5'-tct ccc agc gtg cgc cat (mw=5,685)","","","","","","","","","","","","","","","","","","","","5'-tct ccc agc gtg cgc cat (mw=5,685)","","","","",NA,"PDBC25338","683428","Present"
-"5(4H)-Oxazolone, 2-phenyl-4-(phenylmethylene)-","","","","","","","","","","","","","","","","","","","","NSC291///NSC3334","","C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3","VFDOKJVMHZUBTN-KAMYIIQDSA-N","707067",NA,"PDBC25339","291///3334","Present"
-"5, 10-[(2,6-Dideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-","","","","","","","","","","","","","","","","","","","","5,12-Naphthacenedione, 10-[(2,6-dideoxy-.alpha.-L-lyxo-h...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)O)O","HEQRYQONNHFDHG-UFIVDHBISA-N","341996",NA,"PDBC25340","376739","Present"
-"5, 10-[[3-(Decylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride","","","","","","","","","","","","","","","","","","","","5,12-Naphthacenedione, 10-[[3-(decylamino)-2,3,6-trideox...","","CCCCCCCCCCNC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O.Cl","IRIGUPFLCNQFMR-UHFFFAOYSA-N","24198315",NA,"PDBC25341","292685","Present"
-"5, 6-[[2-(3,4-Dihydroxyphenyl)ethyl] amino]-","","","","","","","","","","","","","","","","","","","","5,8-Quinolinedione, 6-[[2-(3,4-dihydroxyphenyl)ethyl] am...","","C1=CC2=C(C(=O)C=C(C2=O)NCCC3=CC(=C(C=C3)O)O)N=C1","SPGLZCDHXNLXIV-UHFFFAOYSA-N","386229",NA,"PDBC25342","677947","Present"
-"5, 6-[[2-(3,4-Dimethoxyphenyl)ethyl] amino]-","","","","","","","","","","","","","","","","","","","","5,8-Quinolinedione, 6-[[2-(3,4-dimethoxyphenyl)ethyl] am...","","COC1=C(C=C(C=C1)CCNC2=CC(=O)C3=C(C2=O)C=CC=N3)OC","GBMXZBOSWWULNX-UHFFFAOYSA-N","386232",NA,"PDBC25343","677950","Present"
-"5, 6-[[2-(4-Hydroxy-3-methoxyphenyl) ethyl]amino]-","","","","","","","","","","","","","","","","","","","","5,8-Quinolinedione, 6-[[2-(4-hydroxy-3-methoxyphenyl) et...","","COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)C=CC=N3)O","SKWUKKCGGDTCMI-UHFFFAOYSA-N","386227",NA,"PDBC25344","677944","Present"
-"5, 7-[(2,2-Diphenylethyl)amino]-","","","","","","","","","","","","","","","","","","","","5,8-Quinolinedione, 7-[(2,2-diphenylethyl)amino]-","","C1=CC=C(C=C1)C(CNC2=CC(=O)C3=C(C2=O)N=CC=C3)C4=CC=CC=C4","VTOARLHNQXXNDB-UHFFFAOYSA-N","386917",NA,"PDBC25345","679824","Present"
-"5, 7-[[2-(4-Hydroxy-3-methoxyphenyl) ethyl]amino]-","","","","","","","","","","","","","","","","","","","","5,8-Quinolinedione, 7-[[2-(4-hydroxy-3-methoxyphenyl) et...","","COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)N=CC=C3)O","FSDMHSWNWWKMIF-UHFFFAOYSA-N","386230",NA,"PDBC25346","677948","Present"
-"5, 8-Acetyl-10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-(phenylmethoxy)-, hydrochloride, (8S-cis)-","","","","","","","","","","","","","","","","","","","","5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-tride...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OCC6=CC=CC=C6)O)(C(=O)C)O)N)O.Cl","FNNZUSXZJDGOAO-XDXXNSIGSA-N","24198091",NA,"PDBC25347","286628","Present"
-"5,10,10-Trimethylbenzo[b][1,4]benzazastannine","","","","","","","","","","","","","","","","","","","","Phenazastanine, 5,10-dihydro-5,10,10-trimethyl-","","CN1C2=CC=CC=C2[Sn](C3=CC=CC=C31)(C)C","HDLOTGARUIVRDY-UHFFFAOYSA-N","273088",NA,"PDBC25348","118028","Present"
-"5,10,15,20-Tetra(5-chloropentyl)-21H,23H-porphyrin","","","","","","","","","","","","","","","","","","","","5,10,15,20-Tetrakis(5-chloropentyl)porphyrin","","C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)CCCCCCl)CCCCCCl)CCCCCCl)CCCCCCl","OIRLEOFDWVTZLB-UHFFFAOYSA-N","382956",NA,"PDBC25349","670861","Present"
-"5,10,15,20-Tetrakisdecyl-21H,23H-porphyrin","","","","","","","","","","","","","","","","","","","","5,10,15,20-Tetrakis(decyl)porphyrin","","CCCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)N2","RJLWYNLEBVZGNO-UHFFFAOYSA-N","382955",NA,"PDBC25350","670860","Present"
-"5,10,15,20-Tetrapentyl-21H,23H-porphyrin","","","","","","","","","","","","","","","","","","","","tetrapentylporphyrin","","CCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCC)CCCCC)CCCCC)N2","VUXOBUBUKWHDEL-UHFFFAOYSA-N","382954",NA,"PDBC25351","670859","Present"
-"5,10-Bis-epi-anamarine","","","","","","","","","","","","","","","","","","","","5,10-bis-epi-anamarine","","CC(C(C(C(C=CC1CC=CC(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","IIGKKKGWVQSBLY-CQDCALOPSA-N","45028007",NA,"PDBC25352","740560","Present"
-"5,10-Butanopyridazino[1,2-a]pyridazinedium, octahydro-, ...","","","","","","","","","","","","","","","","","","","","5,10-Butanopyridazino[1,2-a]pyridazinedium, octahydro-, ...","","","","",NA,"PDBC25353","634176","Present"
-"5,10-Dihydro-1H-pyrazolo[1,2-b]phthalazin-1-one","","","","","","","","","","","","","","","","","","","","5,10-Dihydro-1H-pyrazolo[1,2-b]phthalazin-1-one","","C1C2=CC=CC=C2CN3N1C=CC3=O","WOZXJTAVYCNEGS-UHFFFAOYSA-N","385002",NA,"PDBC25354","675833","Present"
-"5,10-Dihydroxy-1-[4-(4-hydroxypiperidin-1-yl)butyl]naphtho[2,3-f]indole-4,11-dione","","","","","","","","","","","","","","","","","","","","4,11-dihydroxy-1-[4-(4-hydroxy-1-piperidinyl)butyl]-1H-n...","","C1CN(CCC1O)CCCCN2C=CC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O","VTQJJEHZNHWAKP-UHFFFAOYSA-N","135585395",NA,"PDBC25355","726435","Present"
-"5,10-Dihydroxy-1-methylbenzo[g]quinolin-4-one","","","","","","","","","","","","","","","","","","","","5,10-Dihydroxy-1-methylbenzo[g]quinolin-4(1h)-one","","CN1C=CC(=O)C2=C(C3=CC=CC=C3C(=C21)O)O","OTMSEXSMOXHUDW-UHFFFAOYSA-N","406557",NA,"PDBC25356","724705","Present"
-"5,10-Dihydroxy-3-[(4-methylpiperazin-1-yl)methyl]-1H-naphtho[2,3-f]indole-4,11-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","4,11-dihydroxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-nap...","","CN1CCN(CC1)CC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O.Cl","JBMSAAIHTMIMHQ-UHFFFAOYSA-N","135585400",NA,"PDBC25357","726441","Present"
-"5,10-Dihydroxy-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-naphtho[2,3-f]indole-4,11-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","4,11-dihydroxy-3-{[4-(2-hydroxyethyl)-1-piperazinyl]meth...","","C1CN(CCN1CCO)CC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O.Cl","JCRIGQYUMRODFZ-UHFFFAOYSA-N","135585401",NA,"PDBC25358","726442","Present"
-"5,10-Dihydroxy-3-[[[(2R)-pyrrolidin-2-yl]amino]methyl]-1H-naphtho[2,3-f]indole-4,11-dione","","","","","","","","","","","","","","","","","","","","(R)-4,11-dihydroxy-3-((pyrrolidin-3-ylamino)methyl)-1H-n...","","C1CC(NC1)NCC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O","WGOXNHGZDZZLDT-CYBMUJFWSA-N","155809885",NA,"PDBC25359","766920","Present"
-"5,10-Dihydroxy-7,8-dihydrobenzo[g]isoquinoline-6,9-dione","","","","","","","","","","","","","","","","","","","","5,10-Dihydroxy-7,8-dihydrobenzo[g]isoquinoline-6,9-dione","","C1CC(=O)C2=C(C3=C(C=CN=C3)C(=C2C1=O)O)O","HLBOQAGQMVEOJQ-UHFFFAOYSA-N","135429963",NA,"PDBC25360","627524","Present"
-"5,10-Dimethoxy-2-methylbenzo[g]quinoline","","","","","","","","","","","","","","","","","","","","5,10-Dimethoxy-2-methyl-benzo[g]quinoline","","CC1=NC2=C(C3=CC=CC=C3C(=C2C=C1)OC)OC","AXQXCRLJVWJPMF-UHFFFAOYSA-N","387772",NA,"PDBC25361","681826","Present"
-"5,10-Dimethoxy-4-(4-methoxyphenyl)benzo[g]quinolin-2(1H)-one","","","","","","","","","","","","","","","","","","","","5,10-dimethoxy-4-(4-methoxyphenyl)benzo[g]quinolin-2(1H)...","","COC1=CC=C(C=C1)C2=CC(=O)NC3=C(C4=CC=CC=C4C(=C23)OC)OC","ADTDUUWVPBZWJH-UHFFFAOYSA-N","54613526",NA,"PDBC25362","750106","Present"
-"5,10-Dimethoxybenzo[g]quinolin-2(1H)-one","","","","","","","","","","","","","","","","","","","","5,10-dimethoxybenzo[g]quinolin-2(1H)-one","","COC1=C2C=CC(=O)NC2=C(C3=CC=CC=C31)OC","UTSLBFCWJRODMT-UHFFFAOYSA-N","54612875",NA,"PDBC25363","750104","Present"
-"5,10-Ethano-11H-dibenzo[a,d]cyclohepten-11-one, 5,10-dihydro-","","","","","","","","","","","","","","","","","","","","5,10-Ethano-11H-dibenzo[a,d]cyclohepten-11-one, 5,10-dihydro-","","C1CC2C3=CC=CC=C3C1C4=CC=CC=C4C2=O","GWUYNYYRKUCYTJ-UHFFFAOYSA-N","371070",NA,"PDBC25364","645009","Present"
-"5,11,17,23,29,35-Hexakis(2,4,4-trimethylpentan-2-yl)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol","","","","","","","","","","","","","","","","","","","","5,11,17,23,29,35-Hexakis(2,4,4-trimethylpentan-2-yl)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadeca","","CC(C)(C)CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)C(C)(C)CC(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)CC(C)(C)C)C2)O)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)O","XAWIIUBBNTVTMC-UHFFFAOYSA-N","366251",NA,"PDBC25365","634598","Present"
-"5,11,17,23-Tetrakis(2-hydroxyethylsulfanylmethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol","","","","","","","","","","","","","","","","","","","","5,11,17,23-Tetrakis(2-hydroxyethylsulfanylmethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol","","C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)CSCCO)CC5=C(C1=CC(=C5)CSCCO)O)O)CSCCO)CSCCO","GMGGHRPPKQVDHS-UHFFFAOYSA-N","373831",NA,"PDBC25366","650794","Present"
-"5,11,17,23-Tetratert-butyl-2,14-diphenylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol","","","","","","","","","","","","","","","","","","","","5,11,17,23-Tetratert-butyl-2,14-diphenylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol","","CC(C)(C)C1=CC2=C(C(=C1)C(C3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)C(C)(C)C)C(C5=CC(=CC(=C5O)C2)C(C)(C)C)C6=CC=CC=C6)O)C(C)(C)C)C7=CC=CC=C7)O","SXHIECWNWDATFJ-UHFFFAOYSA-N","386985",NA,"PDBC25367","680296","Present"
-"5,11-Di oxo-11H-indeno[1,2-c]isoquinoline dihdrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-[3-(3-imidazolylpropyl)amino-1-propyl]-5,1...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCN5C=CN=C5.Cl","FPRVRLGHOOLJRI-UHFFFAOYSA-N","45027857",NA,"PDBC25368","728856","Present"
-"5,11-Dimethyl-10-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-9-ol","","","","","","","","","","","","","","","","","","","","5,11-Dimethyl-10-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-9-ol","","CC1=C2C=CN=CC2=C(C3=C1NC4=C3C(=C(C=C4)O)OCC(F)(F)F)C","FKSSRGLBYHPRMR-UHFFFAOYSA-N","370281",NA,"PDBC25369","643126","Present"
-"5,11-Dimethyl-10H-pyrido[2,3-b]carbazol-7-ol","","","","","","","","","","","","","","","","","","","","5,11-Dimethyl-10H-pyrido[2,3-b]carbazol-7-ol","","CC1=C2C=CC=NC2=C(C3=C1C4=C(N3)C=CC(=C4)O)C","FPKMBJNMQXHMMC-UHFFFAOYSA-N","379123",NA,"PDBC25370","663337","Present"
-"5,11-Dimethyl-10H-pyrido[2,3-b]carbazole","","","","","","","","","","","","","","","","","","","","ELLIPTICINE DERIV GLF-I-79-6B","","CC1=C2C=CC=NC2=C(C3=C1C4=CC=CC=C4N3)C","GECKQKOYWIROSF-UHFFFAOYSA-N","341944",NA,"PDBC25371","376452","Present"
-"5,11-Dimethyl-10H-pyrido[3,4-b]carbazole-7-ol","","","","","","","","","","","","","","","","","","","","NSC663336","","CC1=C2C=CN=CC2=C(C3=C1C4=C(N3)C=CC(=C4)O)C","DJCNFGYGVVLLQA-UHFFFAOYSA-N","379122",NA,"PDBC25372","663336","Present"
-"5,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","5,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CC1=CC2=C(C3=C1C(=O)C=CC3=O)N(C4=CC=CC=C42)C","YVAHCKKXKKJSPD-UHFFFAOYSA-N","372651",NA,"PDBC25373","648148","Present"
-"5,11-Dimethyl-2-propan-2-yl-10H-pyrido[3,4-b]carbazol-2-ium","","","","","","","","","","","","","","","","","","","","2-Isopropyl-5,11-dimethyl-10H-pyrido[3,4-b]carbazol-2-iu...","","CC1=C2C=C[N+](=CC2=C(C3=C1C4=CC=CC=C4N3)C)C(C)C","CMZUQVFEPARAKX-UHFFFAOYSA-O","155813893",NA,"PDBC25374","785685","Present"
-"5,11-Dimethyl-3,4,7,8,9,10-hexahydro[1]benzofuro[2,3-g]isoquinoline","","","","","","","","","","","","","","","","","","","","5,11-Dimethyl-3,4,7,8,9,10-hexahydro[1]benzofuro[2,3-g]isoquinoline","","CC1=C2CCN=CC2=C(C3=C1OC4=C3CCCC4)C","YWWVOUMWNWHVST-UHFFFAOYSA-N","270883",NA,"PDBC25375","114016","Present"
-"5,11-Dimethyl-5H-quinindoline","","","","","","","","","","","","","","","","","","","","CCRIS 7303","","CC1=C2C3=CC=CC=C3N=C2N(C4=CC=CC=C14)C","HPNJLBZRPMSGCG-UHFFFAOYSA-N","133982",NA,"PDBC25376","660438","Present"
-"5,11-Dimethyl-6-propan-2-ylpyrido[4,3-b]carbazol-9-ol","","","","","","","","","","","","","","","","","","","","6-Isopropyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol","","CC1=C2C=CN=CC2=C(C3=C1N(C4=C3C=C(C=C4)O)C(C)C)C","ABVXIHSRVYOAJT-UHFFFAOYSA-N","13936933",NA,"PDBC25377","785691","Present"
-"5,11-Dimethyl-8-[2-(4-methylpiperazin-1-yl)ethoxy]-2,6-dihydropyrido[4,3-b]carbazol-1-one","","","","","","","","","","","","","","","","","","","","5,11-dimethyl-9-[2-(4-methylpiperazin-1-yl)ethoxy]-2,6-d...","","CC1=C2C=CNC(=O)C2=C(C3=C1NC4=C3C=CC(=C4)OCCN5CCN(CC5)C)C","KRHMTEJZDIZFBR-UHFFFAOYSA-N","155814932",NA,"PDBC25378","781774","Present"
-"5,11-Dimethyl-9-tert-butoxy-6H-pyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazole, 9-(1,1-dimethylethoxy)-5,11-dimethyl-","","CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)(C)C)C","SCQKKVVJCVNXQD-UHFFFAOYSA-N","370276",NA,"PDBC25379","643119","Present"
-"5,11-Dioxo-11 H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-morpholinyl-1-ethyl)-3-nitro-5,11-dioxo...","","C1COCCN1CCN2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C53","PLZBMMJNQSJKAY-UHFFFAOYSA-N","44410047",NA,"PDBC25380","734873","Present"
-"5,11-Dioxo-11H-indeno[1,2-c]iso quinoline","","","","","","","","","","","","","","","","","","","","5,6-dihydro-6-methyl-3-nitro-5,11-dioxo-11H-indeno[1,2-c...","","CN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C42","LWVGQCPNKFYRIV-UHFFFAOYSA-N","45027904",NA,"PDBC25381","737343","Present"
-"5,11-Dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-dimethylamino-1-propyl)-3-nitro-5,11-di...","","CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C42","YCDQHUBKHGAHLN-UHFFFAOYSA-N","44409874",NA,"PDBC25382","734872","Present"
-"5,11-Dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloide","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-[3-(hydroxyethyl)amino-1-propyl]-5,11-diox...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCO.Cl","CHZGUGHKQTVQTD-UHFFFAOYSA-N","17755976",NA,"PDBC25383","740276","Present"
-"5,11-Dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-imidazolyl-1-propyl)-5,11-dioxo-11H-ind...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN5C=CN=C5.Cl","VNOLZGUVFGEXEL-UHFFFAOYSA-N","11246320",NA,"PDBC25384","726974","Present"
-"5,11-Dioxo-11H-indeno[1,2-c]isoquinoline Trifluoroacetate.","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-guanidinyl-1-propyl)-5,11-dioxo-11H-ind...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN=C(N)N.C(=O)(C(F)(F)F)O","MECYMJPEQHSCNZ-UHFFFAOYSA-N","11167068",NA,"PDBC25385","728854","Present"
-"5,11-Dioxo-11H-indeno[1,2-c]isoquinoline bromide","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-[(3-triethylammonium)-1-propyl]-5,11-dioxo...","","CC[N+](CC)(CC)CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42.[Br-]","OXFUYESFCBLMBB-UHFFFAOYSA-M","11259930",NA,"PDBC25386","730630","Present"
-"5,11-Dioxo-11H-indeno{1,2-c] isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(4-amino-1-butyl)-5,11-dioxo-11H-indeno{1,...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCN.Cl","DPVMCOIVRZSKKX-UHFFFAOYSA-N","10338254",NA,"PDBC25387","726769","Present"
-"5,11-Dioxo-5-(propyl-3'-t-butoxycarbamoyl)-11H-i ndeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-5,11-dioxo-5-(propyl-3'-t-butoxycarbamoyl)-1...","","CC(C)(C)OC(=O)NCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","HOQOQCKVHSRAKU-UHFFFAOYSA-N","11304253",NA,"PDBC25388","725047","Present"
-"5,11-Dioxo-6-(2-N-piperazine-1-ethyl)-11H-indeno [1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-5,11-dioxo-6-(2-N-piperazine-1-ethyl)-11H-in...","","C1CN(CCN1)CCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53","JRHPKTJYGSGQMS-UHFFFAOYSA-N","11291330",NA,"PDBC25389","725670","Present"
-"5,11-Dioxo-6-(2-amino-1-ethyl)-11H-indeno[1,2-c] isoquinoline hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-5,11-dioxo-6-(2-amino-1-ethyl)-11H-indeno[1,...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCN.Cl","SVMKVYMGTWVYQV-UHFFFAOYSA-N","11370830",NA,"PDBC25390","725669","Present"
-"5,11-Dioxo-6-(3-amino-1-propyl)-11H-indeno[1,2-c]isoquinoline hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-5,11-dioxo-6-(3-amino-1-propyl)-11H-indeno[1...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN.Cl","XRCVODXFYLKFSO-UHFFFAOYSA-N","11427798",NA,"PDBC25391","725671","Present"
-"5,11a-Ethano-2H,5H-benzofuro[3,4-ef]isoquinoline, 1,3,4-trihydro-7,13,13-trimethoxy-2-methyl-","","","","","","","","","","","","","","","","","","","","3,3,7-Trimethoxy-15-methyl-5-oxa-15-azapentacyclo[8.6.2.01,12.04,12.06,11]octadeca-6,8,10,17-tetraene","","CN1CCC23C4C(CC2(C1)C=CC5=C3C(=C(C=C5)OC)O4)(OC)OC","FRGLCSZKHVYAEC-UHFFFAOYSA-N","376962",NA,"PDBC25392","658162","Present"
-"5,12,19,22,25,28-Hexamethylidene-2lambda6,8lambda6,16lambda6-trithia-1,3,7,10,14,17-hexazatetracyclo[15.3.3.33,7.310,14]nonacosane 2,2,8,8,16,16-hexaoxide","","","","","","","","","","","","","","","","","","","","5,12,19,22,25,28-Hexamethylidene-2lambda6,8lambda6,16lambda6-trithia-1,3,7,10,14,17-hexazatetracyclo[15.3.3.33,7.310,14]nonacosane 2,2,8,8,16,16-hexaoxide","","C=C1CN2CC(=C)CN(C1)CS(=O)(=O)N3CC(=C)CN(CC(=C)C3)S(=O)(=O)N4CC(=C)CN(CC(=C)C4)S(=O)(=O)C2","CYEXGLQGDCQNRJ-UHFFFAOYSA-N","400564",NA,"PDBC25393","712686","Present"
-"5,12-Bis(2-azidobenzoyl)benzo[c][1,6]benzodiazocine-6,11-dione","","","","","","","","","","","","","","","","","","","","5,12-Bis(2-azidobenzoyl)benzo[c][1,6]benzodiazocine-6,11-dione","","C1=CC=C2C(=C1)C(=O)N(C3=CC=CC=C3N(C2=O)C(=O)C4=CC=CC=C4N=[N+]=[N-])C(=O)C5=CC=CC=C5N=[N+]=[N-]","KKJSQMQTOBJCBO-UHFFFAOYSA-N","382987",NA,"PDBC25394","670945","Present"
-"5,12-Bis(azidomethyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone","","","","","","","","","","","","","","","","","","","","5,12-Bis(azidomethyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone","","C1=CC2C3C(C1C4C2C(=O)N(C4=O)CN=[N+]=[N-])C5C3C(=O)N(C5=O)CN=[N+]=[N-]","SXTJRJDSPIUAOH-UHFFFAOYSA-N","353842",NA,"PDBC25395","603100","Present"
-"5,12-Di(1-piperidinyl)dibenzo[a,h]phenazine","","","","","","","","","","","","","","","","","","","","bis(1-piperidyl)[?]","","C1CCN(CC1)C2=CC3=C(C4=CC=CC=C42)N=C5C=C(C6=CC=CC=C6C5=N3)N7CCCCC7","QXZAXVPILHFJMI-UHFFFAOYSA-N","389843",NA,"PDBC25396","686475","Present"
-"5,12-Dibutyl-1,2,3,4,6,7,10,11,13,14,15,16-dodecahydrobenzo[b]benzo[8,9][1,10]phenanthrolino[3,2-j][1,10]phenanthroline","","","","","","","","","","","","","","","","","","","","12,24-Dibutyl-2,5,31,34-tetrazaoctacyclo[16.16.0.03,16.04,13.06,11.020,33.023,32.025,30]tetratriaconta-1,3(16),4,6(11),12,17,19,23,25(30),31,33-undecaene","","CCCCC1=C2CCC3=CC4=CC5=C(C6=NC7=C(CCCC7)C(=C6CC5)CCCC)N=C4N=C3C2=NC8=C1CCCC8","VENCNPNTNUZZML-UHFFFAOYSA-N","373792",NA,"PDBC25397","650754","Present"
-"5,12-Diphenyl-3,10-dioxa-4,6,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-4,7,11-triene","","","","","","","","","","","","","","","","","","","","5,12-Diphenyl-3,10-dioxa-4,6,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-4,7,11-triene","","C1=CC=C(C=C1)C2=NOC3C2C4N(C(=NO4)C5=CC=CC=C5)N=C3","WOACHLMQEODUGR-UHFFFAOYSA-N","394221",NA,"PDBC25398","697508","Present"
-"5,14-Dimethyl-3,5,7,12,14,16-hexazapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-9,17-diene-4,6,13,15-tetrone","","","","","","","","","","","","","","","","","","","","5,14-Dimethyl-3,5,7,12,14,16-hexazapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-9,17-diene-4,6,13,15-tetrone","","CN1C(=O)N2CC=C3C4C=CC(C3N2C1=O)N5N4C(=O)N(C5=O)C","UZVHXUHVJAZIBT-UHFFFAOYSA-N","392333",NA,"PDBC25399","692609","Present"
-"5,15-Bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(1-methylquinolin-1-ium-6-yl)-21,23-dihydroporphyrin;chloride","","","","","","","","","","","","","","","","","","","","5,15-Bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(1-methylquinolin-1-ium-6-yl)-21,23-dihydroporphyrin;chloride","","C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC8=C(C=C7)[N+](=CC=C8)C)C9=CC=[N+](C=C9)C)C=C4)C1=CC2=C(C=C1)[N+](=CC=C2)C)N3.[Cl-]","CYZVFNVPNYCNMF-UHFFFAOYSA-N","135436189",NA,"PDBC25400","712203","Present"
-"5,17,17-Trimethyl-12,16-dioxa-7-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione","","","","","","","","","","","","","","","","","","","","2H-Furo[3',2':3,4]benzopyrano[6,7-b]pyridine- 2,6,11-tri...","","CC1=CC2=C(C(=O)C3=C(C2=O)C(OC4C3OC(=O)C4)(C)C)N=C1","VYFWHOTYQKJMNE-UHFFFAOYSA-N","387284",NA,"PDBC25401","680935","Present"
-"5,17,29-Tritert-butyl-38,40,42-trimethoxy-37,39,41-tris[(3-nitrophenyl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene","","","","","","","","","","","","","","","","","","","","5,17,29-Tritert-butyl-38,40,42-trimethoxy-37,39,41-tris[(3-nitrophenyl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(3","","CC(C)(C)C1=CC2=C(C(=C1)CC3=C(C(=CC=C3)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=CC=CC(=C5OCC6=CC(=CC=C6)[N+](=O)[O-])CC7=CC(=CC(=C7OC)CC8=CC=CC(=C8OCC9=CC(=CC=C9)[N+](=O)[O-])C2)C(C)(C)C)OC)OCC1=CC(=CC=C1)[N+](=O)[O-])OC","MBMPGQUCEHEMIL-UHFFFAOYSA-N","16129915",NA,"PDBC25402","679194","Present"
-"5,17,29-Tritert-butyl-38,40,42-trimethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,39,41-triol","","","","","","","","","","","","","","","","","","","","5,17,29-Tritert-butyl-38,40,42-trimethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,39,41-tr","","CC(C)(C)C1=CC2=C(C(=C1)CC3=C(C(=CC=C3)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=CC=CC(=C5O)CC6=CC(=CC(=C6OC)CC7=CC=CC(=C7O)C2)C(C)(C)C)OC)O)OC","OEZZOMQOPFSTAJ-UHFFFAOYSA-N","386667",NA,"PDBC25403","679193","Present"
-"5,19-Dimethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene-2,16-dione","","","","","","","","","","","","","","","","","","","","5,19-Dimethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene-2,16-dione","","CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6=C5N(C7=CC=CC=C67)C","YPAVHGKGVMQLLB-UHFFFAOYSA-N","376315",NA,"PDBC25404","657029","Present"
-"5,19-Dioxa-2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene","","","","","","","","","","","","","","","","","","","","5,19-Dioxa-2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene","","C1COCCNC2=CC=CC=CC2=NCCOCCN=C3C=CC=CC=C3N1","QVNBCFDUDRUHCZ-UHFFFAOYSA-N","358323",NA,"PDBC25405","618287","Present"
-"5,19-Dithia-2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene","","","","","","","","","","","","","","","","","","","","5,19-Dithia-2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene","","C1CSCCNC2=CC=CC=CC2=NCCSCCN=C3C=CC=CC=C3N1","UQBVMNWQIWJFJG-UHFFFAOYSA-N","358326",NA,"PDBC25406","618290","Present"
-"5,2,3,4-Tetrakis(p-tolyl)7-thiabicyclo[2.2.1]hep t-2-ene S-oxide","","","","","","","","","","","","","","","","","","","","5,6-Dicyano-1,2,3,4-tetrakis(p-tolyl)7-thiabicyclo[2.2.1...","","CC1=CC=C(C=C1)C2=C(C3(C(C(C2(S3=O)C4=CC=C(C=C4)C)C#N)C#N)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C","AGERCZBJANMYQO-LDJSEGPWSA-N","24205271",NA,"PDBC25407","734877","Present"
-"5,26-Azo-13,18-diazanediylidenedibenzo[i,t][1,4,7,12,15,18]hexathiacyclodocosin, 7,8,10,11,20,21,23,24-octahydro-","","","","","","","","","","","","","","","","","","","","2,5,8,17,20,23-Hexathia-31,32,33,34-tetrazapentacyclo[22.6.2.29,16.010,15.025,30]tetratriaconta-1(31),9(34),10,12,14,16(33),24(32),25,27,29-decaene","","C1CSC2=NN=C(C3=CC=CC=C32)SCCSCCSC4=NN=C(C5=CC=CC=C54)SCCS1","NJIDGWQPJJHSHH-UHFFFAOYSA-N","382161",NA,"PDBC25408","669609","Present"
-"5,3'-Biisoxazole","","","","","","","","","","","","","","","","","","","","5,5'-bis(2-methyl-1H-indol-3-yl)-3,3'-biisoxazole","","CC1=C(C2=CC=CC=C2N1)C3=CC(=NO3)C4=NOC(=C4)C5=C(NC6=CC=CC=C65)C","HWTVXZFFWYDNBU-UHFFFAOYSA-N","340663",NA,"PDBC25409","371684","Present"
-"5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone","","","","","","","","","","","","","","","","","","","","LMPK12113341","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O","GVLMRDDSMVCWKB-UHFFFAOYSA-N","369954",NA,"PDBC25410","642321","Present"
-"5,3'-Dihydroxy-6,7,8,4'-tetramethoxyflavanone","","","","","","","","","","","","","","","","","","","","5,3'-dihydroxy-6,7,8,4'-tetramethoxyflavanone","","COC1=C(C=C(C=C1)C2CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O","WBTIDXJSMUSRJQ-UHFFFAOYSA-N","91535337",NA,"PDBC25411","785304","Present"
-"5,3,3-Trifluoro-2-trifluoromethyl)propyl]benzoxazole","","","","","","","","","","","","","","","","","","","","Benzoxazole, 5,6-dimethyl-2-[3,3,3-trifluoro-2-(trifluor...","","CC1=CC2=C(C=C1C)OC(=N2)C=C(C(F)(F)F)C(F)(F)F","LVXLMKQEGJQKKG-UHFFFAOYSA-N","297305",NA,"PDBC25412","168415","Present"
-"5,3,5,6-Tetrachloro-pyridin-4-ylsulfanyl)-vinyl]-cyclohex-2-enone","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-3-[2-(2,3,5,6-tetrachloro-pyridin-4-ylsulfa...","","CC1(CC(=CC(=O)C1)C=CSC2=C(C(=NC(=C2Cl)Cl)Cl)Cl)C","WZTBFQXAKDOOBP-ONEGZZNKSA-N","24203486",NA,"PDBC25413","728221","Present"
-"5,3-Dimethoxy-5,11-dio xo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-imidazolyl-1-propyl)-2,3-dimethoxy-5,11...","","COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN5C=CN=C5)OC.Cl","RMDBTBAHJKQBBX-UHFFFAOYSA-N","45027897",NA,"PDBC25414","735493","Present"
-"5,3-Dimethoxy-6-(3-dimethylamino-1-propyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-2,3-dimethoxy-6-(3-dimethylamino-1-propyl)-5...","","CN(C)CCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC=CC=C42","MDJMZUNJPZVUIG-UHFFFAOYSA-N","44409870",NA,"PDBC25415","735152","Present"
-"5,3-Dimethoxy-6-(3-morpholinyl-1-ethyl)-5,11-dio xo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-2,3-dimethoxy-6-(3-morpholinyl-1-ethyl)-5,11...","","COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCN5CCOCC5)OC","OTBCPCCVOWNFAW-UHFFFAOYSA-N","44410042",NA,"PDBC25416","736004","Present"
-"5,3-Dioxolo[4,5-h][2]benzoxepin-11-methanol, 5,7,8,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-11-methanol,...","","COC1=CC(=CC(=C1OC)OC)C23C(C(CC4=CC5=C(C=C42)OCO5)CO3)CO","QJUAJRMLIMHQCQ-UHFFFAOYSA-N","396064",NA,"PDBC25417","701564","Present"
-"5,3-Methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-dimethylamino-1-propyl)-2,3-methylenedi...","","CN(C)CCCN1C2=C(C3=CC4=C(C=C3C1=O)OCO4)C(=O)C5=CC=CC=C52","VCEDYYXAJUDJQQ-UHFFFAOYSA-N","44409873",NA,"PDBC25418","732936","Present"
-"5,4' Trihydroxy 4'' senecioyl 7-o-neohesperisido flavone","","","","","","","","","","","","","","","","","","","","5,3',4' trihydroxy 4'' senecioyl 7-o-neohesperisido flavone","","CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)OC(=O)C=C(C)C)O)O)O)O","ZUUQUVGHVBYYGU-UHFFFAOYSA-N","24205318",NA,"PDBC25419","735008","Present"
-"5,4-Difluorphenyl)-3a,7a-dicyano-4,7-dihydrox y-indol-3-carbonacidethylester","","","","","","","","","","","","","","","","","","","","5,6-Dichlor-1-(2,4-difluorphenyl)-3a,7a-dicyano-4,7-dihy...","","CCOC(=O)C1=C(N(C2(C1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)C3=C(C=C(C=C3)F)F)C","RRVFNMVBXPKDAL-VQTJNVASSA-N","24205848",NA,"PDBC25420","736922","Present"
-"5,4]Hept-4-ene-1,1-dicarbonitrile, 4-methyl-7-oxo-2,6-diphenyl, trans-(+/-)-","","","","","","","","","","","","","","","","","","","","5,6-Diazaspiro[2,4]hept-4-ene-1,1-dicarbonitrile, 4-meth...","","CC1=NN(C(=O)C12C(C2(C#N)C#N)C3=CC=CC=C3)C4=CC=CC=C4","FHDQRKRZCSVIJW-DIAVIDTQSA-N","366094",NA,"PDBC25421","634353","Present"
-"5,5',6',7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","5,5',6',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione","","CC1=CC(=C2C(=C1)CC3(C2=O)CC4=C(C3=O)C=C(C(=C4)C)C)C","QSODPZCJEHZALK-UHFFFAOYSA-N","393827",NA,"PDBC25422","696648","Present"
-"5,5'-(2,6-Dichlorobenzylidene)bis(6-oxo-4-hydroxy-2-morpholino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(2,6-dichlorophenyl)-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(C=CC=C2Cl)Cl)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","LBDZWXLNLOAFEA-UHFFFAOYSA-N","54688724",NA,"PDBC25423","701639","Present"
-"5,5'-(2-Methylpropylidene)bis(6-oxo-4-hydroxy-2-pyrrolizino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester","","","","","","","","","","","","","","","","","","","","Ethyl 5-[1-(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-2-methylpropyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(C(=C(NC2=O)N3CCCC3)C(=O)OCC)O)C(C)C)N4CCCC4","ADWLYBAMUNKNKO-UHFFFAOYSA-N","54688720",NA,"PDBC25424","701633","Present"
-"5,5'-(3-Nitro-4-chlorobenzylidene)bis(6-oxo-4-hydroxy-2-morpholino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(4-chloro-3-nitrophenyl)-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","AUDYBDDPCIEKOO-UHFFFAOYSA-N","54680275",NA,"PDBC25425","701638","Present"
-"5,5'-(3-Nitro-4-chlorobenzylidene)bis(6-oxo-4-hydroxy-2-pyrrolizino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(4-chloro-3-nitrophenyl)-(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5","MUYXATRAUIMILY-UHFFFAOYSA-N","54688723",NA,"PDBC25426","701636","Present"
-"5,5'-(4-Methoxybenzylidene)bis(6-oxo-4-hydroxy-2-morpholino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=C(C=C2)OC)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","JZXKDWJWBTVFGX-UHFFFAOYSA-N","54682821",NA,"PDBC25427","701637","Present"
-"5,5'-(4-Methoxybenzylidene)bis(6-oxo-4-hydroxy-2-pyrrolizino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=C(C=C2)OC)C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5","JMPHISJOEQNMGI-UHFFFAOYSA-N","54688722",NA,"PDBC25428","701635","Present"
-"5,5'-(Selenophene-2,5-diyl)bis(furan-2-carbaldehyde)","","","","","","","","","","","","","","","","","","","","5,5'-(selenophene-2,5-diyl)bis(furan-2-carbaldehyde)","","C1=C(OC(=C1)C2=CC=C([Se]2)C3=CC=C(O3)C=O)C=O","NGDSMNXQZDJGOO-UHFFFAOYSA-N","85761448",NA,"PDBC25429","773393","Present"
-"5,5'-Diacetyl-2,2'-bithiophene","","","","","","","","","","","","","","","","","","","","W-200183","","CC(=O)C1=CC=C(S1)C2=CC=C(S2)C(=O)C","DZBDNNDXPKNUGF-UHFFFAOYSA-N","305890",NA,"PDBC25430","203017","Present"
-"5,5'-Diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexayl hexaacetate","","","","","","","","","","","","","","","","","","","","Racemic Apogossypol Hexaacetate///(-)-Apogossypol Hexaacetate///(+)-Apogossypol Hexaacetate","","CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(C)C","MBTWPLWRPAVISC-UHFFFAOYSA-N","293131",NA,"PDBC25431","732804///732805///734247","Present"
-"5,5'-[4-(Dimethylamino)benzylidene]bis(6-oxo-4-hydroxy-2-pyrrolizino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester","","","","","","","","","","","","","","","","","","","","Ethyl 5-[[4-(dimethylamino)phenyl]-(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=C(C=C2)N(C)C)C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5","PSGLULHFKKMEAR-UHFFFAOYSA-N","54688721",NA,"PDBC25432","701634","Present"
-"5,5'-difluoro-3,3'-dithiobisindole","","","","","","","","","","","","","","","","","","","","5,5'-difluoro-3,3'-dithiobisindole","","C1=CC2=C(C=C1F)C(=CN2)SSC3=CNC4=C3C=C(C=C4)F","BOINTPIZZVBYIN-UHFFFAOYSA-N","45028549",NA,"PDBC25433","743186","Present"
-"5,5'-diiodo-3,3'-dithiobisindole","","","","","","","","","","","","","","","","","","","","5,5'-diiodo-3,3'-dithiobisindole","","C1=CC2=C(C=C1I)C(=CN2)SSC3=CNC4=C3C=C(C=C4)I","ZDPMHNKLXSGUMX-UHFFFAOYSA-N","45028550",NA,"PDBC25434","743187","Present"
-"5,5,10',10'-Tetramethylspiro[1,3-dioxane-2,6'-3lambda6-thia-4-azatricyclo[5.2.1.01,5]dec-4-ene] 3',3'-dioxide","","","","","","","","","","","","","","","","","","","","5,5,10',10'-Tetramethylspiro[1,3-dioxane-2,6'-3lambda6-thia-4-azatricyclo[5.2.1.01,5]dec-4-ene] 3',3'-dioxide","","CC1(COC2(C3CCC4(C2=NS(=O)(=O)C4)C3(C)C)OC1)C","FBPXNLZNHSTVTN-UHFFFAOYSA-N","373093",NA,"PDBC25435","649013","Present"
-"5,5,11,11-Tetramethyl-15-(4-nitrophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one","","","","","","","","","","","","","","","","","","","","5,5,11,11-Tetramethyl-15-(4-nitrophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one","","CC1(CC2=C3C(=NC4=C(C3=C(N2)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)CC(C4)(C)C)C1)C","AQUJFSUMKDHESO-UHFFFAOYSA-N","5471831",NA,"PDBC25436","714392","Present"
-"5,5,5-Trifluoro-1-(2-furyl)-4-(trifluoromethyl)-1,2,4-pentanetriol","","","","","","","","","","","","","","","","","","","","5,5,5-Trifluoro-1-(2-furyl)-4-(trifluoromethyl)-1,2,4-pentanetriol","","C1=COC(=C1)C(C(CC(C(F)(F)F)(C(F)(F)F)O)O)O","BNRJVCNLYBKRKO-UHFFFAOYSA-N","377676",NA,"PDBC25437","659255","Present"
-"5,5,5-Trifluoro-4-hydroxy-1-((2-hydroxyethyl)(methyl)amino)-4-(trifluoromethyl)-2-pentanone","","","","","","","","","","","","","","","","","","","","5,5,5-Trifluoro-4-hydroxy-1-((2-hydroxyethyl)(methyl)amino)-4-(trifluoromethyl)-2-pentanone","","CN(CCO)CC(=O)CC(C(F)(F)F)(C(F)(F)F)O","XODGUNOCFHYRLL-UHFFFAOYSA-N","379619",NA,"PDBC25438","664326","Present"
-"5,5,5-Trifluoro-4-hydroxy-1-(1-piperidinyl)-4-(trifluoromethyl)-2-pentanone","","","","","","","","","","","","","","","","","","","","5,5,5-Trifluoro-4-hydroxy-1-(1-piperidinyl)-4-(trifluoromethyl)-2-pentanone","","C1CCN(CC1)CC(=O)CC(C(F)(F)F)(C(F)(F)F)O","LQVHDUSBAFJEQI-UHFFFAOYSA-N","379617",NA,"PDBC25439","664324","Present"
-"5,5,5-Trifluoro-4-hydroxy-1-(3-methylisoquinolin-2-ium-2-yl)-4-(trifluoromethyl)pentan-2-one","","","","","","","","","","","","","","","","","","","","1,1,1-Trifluoro-5-(3-methylisoquinolinium-2-yl)-4-oxo-2-(trifluoromethyl)pentan-2-olate","","CC1=CC2=CC=CC=C2C=[N+]1CC(=O)CC(C(F)(F)F)(C(F)(F)F)[O-]","NKKYVGNXRJSUIS-UHFFFAOYSA-N","379629",NA,"PDBC25440","664338","Present"
-"5,5,5-Trifluoro-4-hydroxy-1-(4-morpholinyl)-4-(trifluoromethyl)-2-pentanone","","","","","","","","","","","","","","","","","","","","5,5,5-Trifluoro-4-hydroxy-1-(4-morpholinyl)-4-(trifluoromethyl)-2-pentanone","","C1COCCN1CC(=O)CC(C(F)(F)F)(C(F)(F)F)O","XYLFEELDYNPHPN-UHFFFAOYSA-N","379618",NA,"PDBC25441","664325","Present"
-"5,5,5-Trifluoro-4-hydroxy-3-(1-piperidinyl)-4-(trifluoromethyl)-2-pentanone","","","","","","","","","","","","","","","","","","","","5,5,5-Trifluoro-4-hydroxy-3-(1-piperidinyl)-4-(trifluoromethyl)-2-pentanone","","CC(=O)C(C(C(F)(F)F)(C(F)(F)F)O)N1CCCCC1","DHLHAGWYSZZVEA-UHFFFAOYSA-N","379620",NA,"PDBC25442","664327","Present"
-"5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentanone hydrazone","","","","","","","","","","","","","","","","","","","","5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentanone hydrazone","","CC(=NN)CC(C(F)(F)F)(C(F)(F)F)O","PWRWYPXCIANXFH-LZWSPWQCSA-N","9555943",NA,"PDBC25443","659220","Present"
-"5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentanone oxime","","","","","","","","","","","","","","","","","","","","5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentanone oxime","","CC(=NO)CC(C(F)(F)F)(C(F)(F)F)O","JHARULSMJVOMKF-QLKAYGNNSA-N","5746758",NA,"PDBC25444","659228","Present"
-"5,5,6,6-Tetramethyl-4-(3-methylbut-3-enyl)-2-oxido-4H-oxazin-2-ium","","","","","","","","","","","","","","","","","","","","5,5,6,6-Tetramethyl-4-(3-methylbut-3-enyl)-2-oxido-4H-oxazin-2-ium","","CC(=C)CCC1C=[N+](OC(C1(C)C)(C)C)[O-]","JNUDGLGROMDYQN-UHFFFAOYSA-N","395297",NA,"PDBC25445","699778","Present"
-"5,5,6-Trimethylbicyclo[2.2.1]heptan-2-amine","","","","","","","","","","","","","","","","","","","","5,5,6-Trimethylbicyclo[2.2.1]heptan-2-amine","","CC1C2CC(C1(C)C)CC2N","CICOIBJGJSLCEM-UHFFFAOYSA-N","376011",NA,"PDBC25446","656391","Present"
-"5,5,6-Trimethylbicyclo[2.2.1]heptan-2-ol","","","","","","","","","","","","","","","","","","","","5,5,6-trimethylnorbornan-2-ol","","CC1C2CC(C1(C)C)CC2O","ZNJAOWQZASKQNE-UHFFFAOYSA-N","376008",NA,"PDBC25447","656388","Present"
-"5,5,6-Trimethylbicyclo[2.2.1]heptan-2-one","","","","","","","","","","","","","","","","","","","","exo-Isocamphanone","","CC1C2CC(C1(C)C)CC2=O","TZAXGXBLCOILBQ-UHFFFAOYSA-N","376006",NA,"PDBC25448","656386","Present"
-"5,5-Bis(benzenesulfonyl)-1-phenylpent-4-en-1-one","","","","","","","","","","","","","","","","","","","","1-Phenyl-5,5-bis(phenylsulfonyl)pent-4-en-1-one","","C1=CC=C(C=C1)C(=O)CCC=C(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","DWEAYRVPZNVQJG-UHFFFAOYSA-N","400845",NA,"PDBC25449","713370","Present"
-"5,5-Bis(phenylthio)pentanal","","","","","","","","","","","","","","","","","","","","5,5-Bis(phenylthio)pentanal","","C1=CC=C(C=C1)SC(CCCC=O)SC2=CC=CC=C2","ZBNHHIIHEKGMMU-UHFFFAOYSA-N","361778",NA,"PDBC25450","625045","Present"
-"5,5-Bis(trifluoromethyl)dihydro-2(3H)-furanone dimethylhydrazone","","","","","","","","","","","","","","","","","","","","N-[(Z)-[5,5-Bis(trifluoromethyl)tetrahydrofuran-2-ylidene]amino]-N-methyl-methanamine","","CN(C)N=C1CCC(O1)(C(F)(F)F)C(F)(F)F","GQDDGQBXRSWZMH-WCSRMQSCSA-N","9571447",NA,"PDBC25451","664538","Present"
-"5,5-Diazido-3-phenyl-1H-pyridazine-4,6-dione","","","","","","","","","","","","","","","","","","","","6-Phenyl-4,4-di(2.lambda.~5~-1,2-triazadienyl)-3,5(2H,4H)-pyridazinedione","","C1=CC=C(C=C1)C2=NNC(=O)C(C2=O)(N=[N+]=[N-])N=[N+]=[N-]","GURMLGGKIDBNBJ-UHFFFAOYSA-N","375222",NA,"PDBC25452","654616","Present"
-"5,5-Dichloro-4-(chloro(difluoro)methyl)-5-fluoro-4-hydroxy-2-pentanone","","","","","","","","","","","","","","","","","","","","5,5-Dichloro-4-(chloro(difluoro)methyl)-5-fluoro-4-hydroxy-2-pentanone","","CC(=O)CC(C(F)(F)Cl)(C(F)(Cl)Cl)O","NUTBTTHUABIGIH-UHFFFAOYSA-N","377606",NA,"PDBC25453","659183","Present"
-"5,5-Diethyl 4,4-dimethyl 2-methyl-1,3-oxazole-4,4,5,5-tetracarboxylate","","","","","","","","","","","","","","","","","","","","5,5-Diethyl 4,4-dimethyl 2-methyl-1,3-oxazole-4,4,5,5-tetracarboxylate","","CCOC(=O)C1(C(N=C(O1)C)(C(=O)OC)C(=O)OC)C(=O)OCC","JJRYEOLFDTXBRR-UHFFFAOYSA-N","395876",NA,"PDBC25454","700971","Present"
-"5,5-Diethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxane","","","","","","","","","","","","","","","","","","","","5,5-Diethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxane","","CCC1(COC(OC1)(C=C)C2=CC3=CC=CC=C3C=C2)CC","IBYWAGIVTKMAET-UHFFFAOYSA-N","383350",NA,"PDBC25455","671464","Present"
-"5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","Y05WI0HFR4","","CCC1(C(=NC(=S)NC1=O)N)CC","VTXPKDKVHGDSPY-UHFFFAOYSA-N","3003763",NA,"PDBC25456","44819","Present"
-"5,5-Diethyldihydro-6-thioxouracil","","","","","","","","","","","","","","","","","","","","LS-135231","","CCC1(C(=O)NC(=O)NC1=S)CC","KUMCLYGZVRXJMG-UHFFFAOYSA-N","3034182",NA,"PDBC25457","44137","Present"
-"5,5-Dimethyl-12-(3,4,5-trimethoxyphenyl)-3,12-dihydro-1H-(1,3)dioxolo(4,5-i)furo(3,4-d)(1,3)benzodioxocin-1-one","","","","","","","","","","","","","","","","","","","","1H-[1,3]Dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-on...","","CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)OC2)C","UOVKZFDKJDTNPN-UHFFFAOYSA-N","380087",NA,"PDBC25458","665485","Present"
-"5,5-Dimethyl-2-(((5-methyl-4-phenyl-1,3-thiazol-2-yl)amino)methylene)-1,3-cyclohexanedione","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-2-(((5-methyl-4-phenyl-1,3-thiazol-2-yl)amino)methylene)-1,3-cyclohexanedione","","CC1=C(N=C(S1)N=CC2=C(CC(CC2=O)(C)C)O)C3=CC=CC=C3","YNLAFYIBDCQZIC-RGVLZGJSSA-N","135409076",NA,"PDBC25459","657590","Present"
-"5,5-Dimethyl-2-((5-oxo-2-thioxo-1-imidazolidinyl)methylene)-1,3-cyclohexanedione","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-2-((5-oxo-2-thioxo-1-imidazolidinyl)methylene)-1,3-cyclohexanedione","","CC1(CC(=O)C(=CN2C(=O)CNC2=S)C(=O)C1)C","LTIRCGUYBIWMNI-UHFFFAOYSA-N","3004468",NA,"PDBC25460","657447","Present"
-"5,5-Dimethyl-2-(3-(4-methylphenyl)-3-oxopropyl)-1,3-cyclohexanedione","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-2-(3-(4-methylphenyl)-3-oxopropyl)-1,3-cyclohexanedione","","CC1=CC=C(C=C1)C(=O)CCC2C(=O)CC(CC2=O)(C)C","AUKOOOYPMOEFSP-UHFFFAOYSA-N","373458",NA,"PDBC25461","649815","Present"
-"5,5-Dimethyl-2-(3-oxo-5-phenyl-4-pentenyl)-1,3-cyclohexanedione","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-2-(3-oxo-5-phenyl-4-pentenyl)-1,3-cyclohexanedione","","CC1(CC(=O)C(C(=O)C1)CCC(=O)C=CC2=CC=CC=C2)C","IPJMVZXOKIXITO-CMDGGOBGSA-N","6291329",NA,"PDBC25462","649814","Present"
-"5,5-Dimethyl-2-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]cyclohexane-1,3-dione","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-2-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]cyclohexane-1,3-dione","","CC1=CC2=C(C=C1)N(C(=S)N2)C=C3C(=O)CC(CC3=O)(C)C","MEGNRRXSHVICMC-UHFFFAOYSA-N","3004481",NA,"PDBC25463","657567","Present"
-"5,5-Dimethyl-2-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-dioxane","","","","","","","","","","","","","","","","","","","","1,3-Dioxane, 5,5-dimethyl-4-(1-methylethyl)-2- (2-phenyl...","","CC(C)C1C(COC(O1)C=CC2=CC=CC=C2)(C)C","XFPWGDOQIRBMFK-ZHACJKMWSA-N","5351757",NA,"PDBC25464","38684","Present"
-"5,5-Dimethyl-2-oxo-4-(pyridin-1-ium-1-ylmethyl)furan-3-carbonitrile;iodide","","","","","","","","","","","","","","","","","","","","1-[(4-Cyano-2,2-dimethyl-5-oxo-2,5-dihydrofuran-3-yl)methyl]pyridinium iodide","","CC1(C(=C(C(=O)O1)C#N)C[N+]2=CC=CC=C2)C.[I-]","UQQIMMDEQVOTCI-UHFFFAOYSA-M","372750",NA,"PDBC25465","648368","Present"
-"5,5-Dimethyl-2-pentadecyl-3-propan-2-yl-4H-imidazole","","","","","","","","","","","","","","","","","","","","4,4-Dimethyl-2-pentadecyl-1-(propan-2-yl)-4,5-dihydro-1h-imidazole","","CCCCCCCCCCCCCCCC1=NC(CN1C(C)C)(C)C","WCOJLACCZHOZKF-UHFFFAOYSA-N","226857",NA,"PDBC25466","17744","Present"
-"5,5-Dimethyl-3-(2-((3-methyl-2-butenyl)sulfinyl)anilino)-2-cyclohexen-1-one","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-3-(2-((3-methyl-2-butenyl)sulfinyl)anilino)-2-cyclohexen-1-one","","CC(=CCS(=O)C1=CC=CC=C1NC2=CC(=O)CC(C2)(C)C)C","MJXQYWZMGCBKDH-UHFFFAOYSA-N","378130",NA,"PDBC25467","659934","Present"
-"5,5-Dimethyl-3-propan-2-yl-2-tridecyl-4H-imidazole","","","","","","","","","","","","","","","","","","","","4,4-Dimethyl-1-(propan-2-yl)-2-tridecyl-4,5-dihydro-1h-imidazole","","CCCCCCCCCCCCCC1=NC(CN1C(C)C)(C)C","DIAXWTCJGZHOJH-UHFFFAOYSA-N","226856",NA,"PDBC25468","17743","Present"
-"5,5-Dimethyl-4,5,7,8-tetrahydro-6H-thiochromeno[7,8-d][1,2,3]thiadiazol-6-one","","","","","","","","","","","","","","","","","","","","5H-Thiopyrano[3,2-g][1,2,3]benzothiadiazole-7-one, 6,7,8...","","CC1(CC2=C(C3=C1C(=O)CCS3)SN=N2)C","ZBUFHXOEAZXJTM-UHFFFAOYSA-N","362374",NA,"PDBC25469","626118","Present"
-"5,5-Dimethyl-6,6a,12,12a-tetrahydrobenzo[c]acridin-7-one","","","","","","","","","","","","","","","","","","","","Benz[c]acridin-7(5H)-one, 6,6a,12,12a-tetrahydro-5,5-dim...","","CC1(CC2C(C3=CC=CC=C31)NC4=CC=CC=C4C2=O)C","YELPSWNUSCYROL-UHFFFAOYSA-N","255766",NA,"PDBC25470","81517","Present"
-"5,5-Dimethyl-6-phenylcarbamoyl-4H-thiazolo[3,2-d][1,5]benzodiazepin-11-ium chloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-1,5-dimethyl-6-phenylcarbamoyl-4H-thiazolo[3...","","CC1CC2=[N+](C(=CS2)C)C3=CC=CC=C3N1C(=O)NC4=CC=CC=C4.[Cl-]","DIJOSMLORLVCRH-UHFFFAOYSA-N","16080723",NA,"PDBC25471","731737","Present"
-"5,5-Dimethyl-8'-nitro-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-one","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-8'-nitro-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-one","","CC1(C2(C=CC3=C(O2)C(=CC=C3)[N+](=O)[O-])N(C(=O)O1)C4=CC=CC=C4)C","PVLNLHQHWKFLFQ-UHFFFAOYSA-N","392262",NA,"PDBC25472","692403","Present"
-"5,5-Dinitro-1,3-dioxane","","","","","","","","","","","","","","","","","","","","5,5-Dinitro-1,3-dioxane","","C1C(COCO1)([N+](=O)[O-])[N+](=O)[O-]","RDADUROBQIJEIM-UHFFFAOYSA-N","385942",NA,"PDBC25473","677414","Present"
-"5,5-Diphenyl-3-((3-phenylpropanoyl)oxy)-2,4-imidazolidinedithione","","","","","","","","","","","","","","","","","","","","5,5-Diphenyl-3-((3-phenylpropanoyl)oxy)-2,4-imidazolidinedithione","","C1=CC=C(C=C1)CCC(=O)ON2C(=S)C(NC2=S)(C3=CC=CC=C3)C4=CC=CC=C4","DQLVBDHNMNLEDQ-UHFFFAOYSA-N","3005239",NA,"PDBC25474","685456","Present"
-"5,5-Diphenylspiro[1,2,4-trithiolane-3,2'-adamantane]","","","","","","","","","","","","","","","","","","","","3,3-Diphenylspiro[1,2,4-trithiolane-5,2'-adamantane]","","C1C2CC3CC1CC(C2)C34SC(SS4)(C5=CC=CC=C5)C6=CC=CC=C6","PHZRPHQQYSNIMJ-UHFFFAOYSA-N","359146",NA,"PDBC25475","619825","Present"
-"5,6,10b,10c-Tetrahydrobenzo[3,4]cyclobuta[1,2-a]biphenylene-4b,6a-diol","","","","","","","","","","","","","","","","","","","","5,6,10b,10c-Tetrahydrobenzo[3,4]cyclobuta[1,2-a]biphenylene-4b,6a-diol","","C1CC2(C(C3C1(C4=CC=CC=C34)O)C5=CC=CC=C52)O","IBFYXVGIKWIZIM-UHFFFAOYSA-N","375499",NA,"PDBC25476","655281","Present"
-"5,6,11,12-Tetramethyl-5,5a,6,11,11a,12-hexahydroquinoxalino[2,3-b]quinoxaline","","","","","","","","","","","","","","","","","","","","5,6,11,12-Tetramethyl-5,5a,6,11,11a,12-hexahydroquinoxalino[2,3-b]quinoxaline","","CN1C2C(N(C3=CC=CC=C31)C)N(C4=CC=CC=C4N2C)C","BTCNUEMVJDOTFX-UHFFFAOYSA-N","365519",NA,"PDBC25477","633207","Present"
-"5,6,3'-Trihydroxy-7,4'-dimethoxyflavone","","","","","","","","","","","","","","","","","","","","5,6,3'-OH-7,4'-OCH3 flavone","","COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O)O","GCKIPZDMMOATHU-UHFFFAOYSA-N","373260",NA,"PDBC25478","649411","Present"
-"5,6,7,8,10,11,12,13,19,20,21,22,24,25,26,27-Hexadecahydrodi[1,3]dithiolo[4,5-b:4,5-o][1,4,9,14,17,22]hexathiacyclohexacosine-2,16-dithione","","","","","","","","","","","","","","","","","","","","2,7,12,14,16,18,23,28,30,32-Decathiatricyclo[27.3.0.013,17]dotriaconta-1(29),13(17)-diene-15,31-dithione","","C1CCSC2=C(SCCCCSCCCCSC3=C(SCCCCSC1)SC(=S)S3)SC(=S)S2","CUUSNNVTUGKRGQ-UHFFFAOYSA-N","380599",NA,"PDBC25479","666274","Present"
-"5,6,7,8,3',4',5'-Heptamethoxyflavone","","","","","","","","","","","","","","","","","","","","5'-Methoxynobiletin","","COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC","UAELIRBOLQZEAT-UHFFFAOYSA-N","72815",NA,"PDBC25480","67580","Present"
-"5,6,7,8-Tetrachloro-3a,4a,8a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzodioxine","","","","","","","","","","","","","","","","","","","","5,6,7,8-Tetrachloro-3a,4a,8a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzodioxine","","C1C=CC2C1OC3C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl","BKOMTPWPHGYDEO-UHFFFAOYSA-N","400732",NA,"PDBC25481","713165","Present"
-"5,6,7,8-Tetrafluorobenzo[f][2,1,3]benzothiadiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","5,6,7,8-tetrafluoronaphtho[2,3-c][1,2,5]thiadiazole-4,9-...","","C12=C(C(=C(C(=C1F)F)F)F)C(=O)C3=NSN=C3C2=O","KEWDSIQTRHIXFE-UHFFFAOYSA-N","155809942",NA,"PDBC25482","760476","Present"
-"5,6,7-Trihydroxy-3',4'-dimethoxyspiro[2H-chromene-3,7'-bicyclo[4.2.0]octa-1,3,5-triene]-4-one","","","","","","","","","","","","","","","","","","","","5, 6, 7-trihydroxy-3', 4'-dimethoxyspiro{2H-1-benzopyran...","","COC1=C(C=C2C(=C1)CC23COC4=C(C3=O)C(=C(C(=C4)O)O)O)OC","ITNLRMLOWAXJEN-UHFFFAOYSA-N","404858",NA,"PDBC25483","721402","Present"
-"5,6,7-Trimethoxy-2-phenylquinolin-4(1H)-one","","","","","","","","","","","","","","","","","","","","CS-W001456","","COC1=C(C(=C2C(=C1)NC(=CC2=O)C3=CC=CC=C3)OC)OC","NDPXPFMHGJLPAS-UHFFFAOYSA-N","380406",NA,"PDBC25484","665928","Present"
-"5,6,7-Trimethoxy-3-(4-methoxyphenyl)chromen-2-one","","","","","","","","","","","","","","","","","","","","NSC758546","","COC1=CC=C(C=C1)C2=CC3=C(C(=C(C=C3OC2=O)OC)OC)OC","IEJGFDLBWFDNST-UHFFFAOYSA-N","46949557",NA,"PDBC25485","758546","Present"
-"5,6,7-Trimethoxy-4-methyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","AK-087/33381003","","CC1=CC(=O)OC2=CC(=C(C(=C12)OC)OC)OC","CSQKYLCDFGRIIK-UHFFFAOYSA-N","390802",NA,"PDBC25486","688800","Present"
-"5,6,7-Trimethyl-4-thioxo-1,3-benzoxazin-2-one","","","","","","","","","","","","","","","","","","","","5,6,7-Trimethyl-4-thioxo-1,3-benzoxazin-2-one","","CC1=CC2=C(C(=C1C)C)C(=S)NC(=O)O2","SBRKWOZHWZAQRS-UHFFFAOYSA-N","3004444",NA,"PDBC25487","655169","Present"
-"5,6,7Abeta,7bbeta-Tetrahydro-5beta-hydroxy-2H-1,7-dioxacyclopenta[cd]indene-4(4abetaH)-one","","","","","","","","","","","","","","","","","","","","(1S,7S,8R,11S)-8-Hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-6-one","","C1C(C2C3C(O1)OCC3=CC2=O)O","HJOQALIQBARKHY-KDXUFGMBSA-N","400139",NA,"PDBC25488","711633","Present"
-"5,6,8,9,10,14b-Hexahydroisoquino[1,2-a][2]benzazepine","","","","","","","","","","","","","","","","","","","","5,6,8,9,10,14b-Hexahydroisoquino[1,2-a][2]benzazepine","","C1CC2=CC=CC=C2C3C4=CC=CC=C4CCN3C1","OOHYIVGZZGASFD-UHFFFAOYSA-N","384195",NA,"PDBC25489","673601","Present"
-"5,6,8,9,14,14b-Hexahydrobenz[a]indolo[3,2-h]quinolizine","","","","","","","","","","","","","","","","","","","","3,13-Diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8,16,18,20-heptaene","","C1CN2CCC3=C(C2C4=CC=CC=C41)NC5=CC=CC=C35","QMFZCDNIHZUHSQ-UHFFFAOYSA-N","386224",NA,"PDBC25490","677940","Present"
-"5,6,9,10-Tetrahydrodinaphtho[1,2-b:2,1-g][1,8]naphthyridine","","","","","","","","","","","","","","","","","","","","2,26-Diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4,6,8,13,15,19,21,23,25-undecaene","","C1CC2=CC3=CC4=C(C5=CC=CC=C5CC4)N=C3N=C2C6=CC=CC=C61","GKXQGQRNXLFDOA-UHFFFAOYSA-N","373794",NA,"PDBC25491","650756","Present"
-"5,6-Bis(1,2,5-thiadiazol-3-ylsulfanyl)pyrazine-2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","5,6-Bis(1,2,5-thiadiazol-3-ylsulfanyl)pyrazine-2,3-dicarbonitrile","","C1=NSN=C1SC2=NC(=C(N=C2SC3=NSN=C3)C#N)C#N","RFAGHUAXDUQPNX-UHFFFAOYSA-N","398491",NA,"PDBC25492","708394","Present"
-"5,6-Bis(2-pyridinyl)pyrazine-2,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","5,6-Bis(2-pyridinyl)pyrazine-2,3-dicarboxylic acid","","C1=CC=NC(=C1)C2=C(N=C(C(=N2)C(=O)O)C(=O)O)C3=CC=CC=N3","IBEHNEMWMYLQBP-UHFFFAOYSA-N","397377",NA,"PDBC25493","705079","Present"
-"5,6-Bis(benzyloxy)-1h-indole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5,6-Bis(benzyloxy)-1h-indole-2-carboxylic acid","","C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C=C(N3)C(=O)O)OCC4=CC=CC=C4","TYUJHLDUESKKPZ-UHFFFAOYSA-N","260802",NA,"PDBC25494","92531","Present"
-"5,6-Bis(furan-2-yl)-1,2,4-triazin-3-amine","","","","","","","","","","","","","","","","","","","","5,6-Di(2-furyl)-1,2,4-triazin-3-amine","","C1=COC(=C1)C2=C(N=NC(=N2)N)C3=CC=CO3","FXQZYFBJCFGSAY-UHFFFAOYSA-N","393540",NA,"PDBC25495","695602","Present"
-"5,6-Bis-(1,2-dihydroxy-ethyl)-[1,4]dioxane-2,3-dione","","","","","","","","","","","","","","","","","","","","5,6-Bis-(1,2-dihydroxy-ethyl)-[1,4]dioxane-2,3-dione","","C(C(C1C(OC(=O)C(=O)O1)C(CO)O)O)O","NPXVGARLFHBJTQ-UHFFFAOYSA-N","378663",NA,"PDBC25496","661460","Present"
-"5,6-Bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","Pyrazine-2,3-dicarbonitrile, 5,6-bis(5-methyl-1,3,4-thia...","","CC1=NN=C(S1)SC2=NC(=C(N=C2SC3=NN=C(S3)C)C#N)C#N","YJJKFQITKJFDEH-UHFFFAOYSA-N","395616",NA,"PDBC25497","700361","Present"
-"5,6-Bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazine-2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","5,6-Bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazine-2,3-dicarbonitrile","","CC1=NN=C(S1)SCC2=C(N=C(C(=N2)C#N)C#N)CSC3=NN=C(S3)C","KFQJGKGGAHEPIT-UHFFFAOYSA-N","398490",NA,"PDBC25498","708393","Present"
-"5,6-Chrysenedione","","","","","","","","","","","","","","","","","","","","5,6-Chrysenedione","","C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=O)C4=CC=CC=C34","HZGMNNQOPOLCIG-UHFFFAOYSA-N","16317",NA,"PDBC25499","5192","Present"
-"5,6-Diamino-N-(4-chlorophenyl)-3-imino-4-oxo-2,3,4,5-tetrahydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide","","","","","","","","","","","","","","","","","","","","5,6-Diamino-N-(4-chlorophenyl)-3-imino-4-oxo-1,2-dihydropyrazolo[4,3-c]pyridine-7-carboxamide","","C1=CC(=CC=C1NC(=O)C2=C(N(C(=O)C3=C2NN=C3N)N)N)Cl","VQDVBGXLXUVVDL-UHFFFAOYSA-N","392150",NA,"PDBC25500","692030","Present"
-"5,6-Dibromo-2-phenylisoindoline","","","","","","","","","","","","","","","","","","","","5,6-Dibromo-2-phenylisoindoline","","C1C2=CC(=C(C=C2CN1C3=CC=CC=C3)Br)Br","AWIBKCNJGCWJJG-UHFFFAOYSA-N","362477",NA,"PDBC25501","626428","Present"
-"5,6-Dibromo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","5,6-Dibromo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid","","C1(C(C2C(C(C1O2)Br)Br)C(=O)O)C(=O)O","YAUAFDGEUWEBOP-UHFFFAOYSA-N","221496",NA,"PDBC25502","6138","Present"
-"5,6-Dichloro-1,2,3-benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-1,2,3-benzodithiazol-1-ium;chloride","","C1=C(C(=CC2=[S+]SN=C21)Cl)Cl.[Cl-]","ISWVBLLPUQOVDY-UHFFFAOYSA-M","359774",NA,"PDBC25503","621343","Present"
-"5,6-Dichloro-1-(3-(4-morpholinyl)propyl)-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-1-(3-(4-morpholinyl)propyl)-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine","","C1COCCN1CCCN2C3=C(N=C(C(=N3)Cl)Cl)N=C2C(F)(F)F","SEVICFAAJPXUER-UHFFFAOYSA-N","296473",NA,"PDBC25504","166637","Present"
-"5,6-Dichloro-1-tetrahydrofuran-2-yl-benzimidazole","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-1-tetrahydrofuran-2-yl-benzimidazole","","C1CC(OC1)N2C=NC3=CC(=C(C=C32)Cl)Cl","RCXVWZMFRLJXRD-UHFFFAOYSA-N","388069",NA,"PDBC25505","682533","Present"
-"5,6-Dichloro-1-tetrahydrofuran-2-yl-benzotriazole","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-1-tetrahydrofuran-2-yl-benzotriazole","","C1CC(OC1)N2C3=CC(=C(C=C3N=N2)Cl)Cl","BHBGEYKZKBMMDT-UHFFFAOYSA-N","388084",NA,"PDBC25506","682547","Present"
-"5,6-Dichloro-1-tetrahydropyran-2-yl-1H-benzotriazole","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-1-tetrahydropyran-2-yl-1H-benzotriazole","","C1CCOC(C1)N2C3=CC(=C(C=C3N=N2)Cl)Cl","ABRJVDODXWORCQ-UHFFFAOYSA-N","388092",NA,"PDBC25507","682555","Present"
-"5,6-Dichloro-1-tetrahydropyran-2-yl-benzimidazole","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-1-tetrahydropyran-2-yl-benzimidazole","","C1CCOC(C1)N2C=NC3=CC(=C(C=C32)Cl)Cl","NBNXGPHMUZHVMW-UHFFFAOYSA-N","388072",NA,"PDBC25508","682535","Present"
-"5,6-Dichloro-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","Maybridge1_006289","","C1=C2C(=CC(=C1Cl)Cl)N=CN2","IPRDZAMUYMOJTA-UHFFFAOYSA-N","331775",NA,"PDBC25509","326397","Present"
-"5,6-Dichloro-2,1,3-benzoselenadiazole","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-2,1,3-benzoselenadiazole","","C1=C(C(=CC2=N[Se]N=C21)Cl)Cl","AMJDYKAIBVZVIR-UHFFFAOYSA-N","362893",NA,"PDBC25510","627367","Present"
-"5,6-Dichloro-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine;chloride","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pyrimidin-4-amine chloride","","C1=CN=CC=C1C2=CC=[N+](C=C2)C3=NC(=C(C(=N3)Cl)Cl)N.[Cl-]","ZDXNVRPTQBDLSX-UHFFFAOYSA-M","399031",NA,"PDBC25511","709447","Present"
-"5,6-Dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-yl]-1H-benzoimidazole","","","","","","","","","","","","","","","","","","","","5,6-dichloro-2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C3=NC4=CC(=C(C=C4N3)Cl)Cl","YLQVPICGJHUERK-UHFFFAOYSA-N","136929746",NA,"PDBC25512","768405","Present"
-"5,6-Dichloro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","5,6-dichloro-2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin...","","COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=CC(=C(C=C5N4)Cl)Cl","MMLCOPMVLJTWAR-UHFFFAOYSA-N","155810048",NA,"PDBC25513","766337","Present"
-"5,6-Dichloro-2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyrazine","","","","","","","","","","","","","","","","","","","","1H-Imidazo[4,5-b]pyrazine, 5,6-dichloro-2-[3-(trifluorom...","","C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(N2)N=C(C(=N3)Cl)Cl","BRODSJBKQDYMJU-UHFFFAOYSA-N","5383615",NA,"PDBC25514","177407","Present"
-"5,6-Dichloro-2-[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","5,6-dichloro-2-(3-(4-(trifluoromethyl)phenyl)imidazo[1,5...","","C1=CC2=C(N=C(N2C=C1)C3=CC=C(C=C3)C(F)(F)F)C4=NC5=CC(=C(C=C5N4)Cl)Cl","PGBYDBUPTXVDCN-UHFFFAOYSA-N","155809730",NA,"PDBC25515","774957","Present"
-"5,6-Dichloro-2-hexyl-1H-imidazo[4,5-b]pyrazine","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-2-hexyl-1H-imidazo[4,5-b]pyrazine","","CCCCCCC1=NC2=C(N1)N=C(C(=N2)Cl)Cl","DGRVRFOVCINONF-UHFFFAOYSA-N","5383666",NA,"PDBC25516","179496","Present"
-"5,6-Dichloro-2-tetrahydropyran-2-yl-benzotriazole","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-2-tetrahydropyran-2-yl-benzotriazole","","C1CCOC(C1)N2N=C3C=C(C(=CC3=N2)Cl)Cl","DWHDCRWNFDQGGZ-UHFFFAOYSA-N","388095",NA,"PDBC25517","682558","Present"
-"5,6-Dichloro-8-((5,6-dichloro-4H-1,3-benzodioxin-8-yl)methyl)-4H-1,3-benzodioxine","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-8-((5,6-dichloro-4H-1,3-benzodioxin-8-yl)methyl)-4H-1,3-benzodioxine","","C1C2=C(C(=CC(=C2Cl)Cl)CC3=CC(=C(C4=C3OCOC4)Cl)Cl)OCO1","GWEDPUGSHMEBHG-UHFFFAOYSA-N","367312",NA,"PDBC25518","636880","Present"
-"5,6-Dichloro-N-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine;chloride","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-N-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine;chloride","","C1=CC=C(C=C1)NC2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)C4=CC=NC=C4)Cl)Cl.[Cl-]","HDHCXTYJAGZKDU-UHFFFAOYSA-M","399039",NA,"PDBC25519","709451","Present"
-"5,6-Dihydrazino[1,2,5]oxadiazolo[3,4-b]pyrazine","","","","","","","","","","","","","","","","","","","","C4H6N8O","","C12=NON=C1N=C(C(=N2)NN)NN","MBFGKQUIQMEAOX-UHFFFAOYSA-N","392978",NA,"PDBC25520","694220","Present"
-"5,6-Dihydro-1,2,3,9-tetramethoxy-7H-dibenzo[a,c]cycloheptene-7-one","","","","","","","","","","","","","","","","","","","","5,13,14,15-Tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-one","","COC1=CC2=C(C=C1)C3=C(C(=C(C=C3CCC2=O)OC)OC)OC","LCUPINWVEJYXRG-UHFFFAOYSA-N","395870",NA,"PDBC25521","700911","Present"
-"5,6-Dihydro-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole","","CN(C)CCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4CC3","MQZGSCSEVBZFSM-UHFFFAOYSA-N","390895",NA,"PDBC25522","689070","Present"
-"5,6-Dihydro-2,3,9-trimethoxyindolo[2,1-a]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-2,3,9-trimethoxyindolo[2,1-a]isoquinoline","","COC1=CC2=C(C=C1)C=C3N2CCC4=CC(=C(C=C43)OC)OC","SIIKNNYVOYUTIV-UHFFFAOYSA-N","366191",NA,"PDBC25523","634518","Present"
-"5,6-Dihydro-2,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-2,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole","","CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(CC3)C=CC(=C4)OC","AIVYHRBBOCVCDB-UHFFFAOYSA-N","391534",NA,"PDBC25524","690783","Present"
-"5,6-Dihydro-3,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-3,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole","","CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(CC3)C=C(C=C4)OC","DCUZWYULPUJECK-UHFFFAOYSA-N","390906",NA,"PDBC25525","689081","Present"
-"5,6-Dihydro-4,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-4,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole","","CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(CC3)C(=CC=C4)OC","HSTBMJJSQMRESP-UHFFFAOYSA-N","390909",NA,"PDBC25526","689084","Present"
-"5,6-Dihydro-4H,8H-[1,3]dioxolo[4,5-j]pyrido[3,2,1-de]phenanthridin-8-one","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-4H,8H-[1,3]dioxolo[4,5-j]pyrido[3,2,1-de]phenanthridin-8-one","","C1CC2=C3C(=CC=C2)C4=CC5=C(C=C4C(=O)N3C1)OCO5","YVINPFVOWIFURC-UHFFFAOYSA-N","362989",NA,"PDBC25527","627517","Present"
-"5,6-Dihydro-4H-indolo[3,2-c]pyrido[3,2,1-ij]quinolin-8(13H)-one","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-4H-indolo[3,2-c]pyrido[3,2,1-ij]quinolin-8(13H)-one","","C1CC2=C3C(=CC=C2)C4=C(C5=CC=CC=C5N4)C(=O)N3C1","QFTPORFQUYPIJS-UHFFFAOYSA-N","376984",NA,"PDBC25528","658205","Present"
-"5,6-Dihydro-4H-pyrrolo[1,2-b][1,2,5]benzothiadiazocin-4-one 11,11-dioxide","","","","","","","","","","","","","","","","","","","","2,2-Dioxo-2lambda6-thia-3,9-diazatricyclo[9.4.0.03,7]pentadeca-1(15),4,6,11,13-pentaen-8-one","","C1C2=CC=CC=C2S(=O)(=O)N3C=CC=C3C(=O)N1","IJPXJKORXTYFJA-UHFFFAOYSA-N","393146",NA,"PDBC25529","694559","Present"
-"5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-ylmethyl acetate","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-ylmethyl acetate","","CC(=O)OCC1=C2CCCN2N=N1","KTWYCDBFLVQSAE-UHFFFAOYSA-N","360960",NA,"PDBC25530","623688","Present"
-"5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-ylmethyl isopropylcarbamate","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-ylmethyl isopropylcarbamate","","CC(C)NC(=O)OCC1=C2CCCN2N=N1","UIZSAUACPJVYFL-UHFFFAOYSA-N","360961",NA,"PDBC25531","623689","Present"
-"5,6-Dihydro-5-diazouracil","","","","","","","","","","","","","","","","","","","","5-Diazonio-2-oxo-1,2,3,6-tetrahydropyrimidin-4-olate","","C1C(=[N+]=[N-])C(=O)NC(=O)N1","LMVCXUQSILHPLZ-UHFFFAOYSA-N","381330",NA,"PDBC25532","667851","Present"
-"5,6-Dihydrobenzo[c]acridin-7-amine","","","","","","","","","","","","","","","","","","","","5,6-Dihydrobenzo[c]acridin-7-amine","","C1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C41)N","FRXXZKCFLLWYIW-UHFFFAOYSA-N","402660",NA,"PDBC25533","716847","Present"
-"5,6-Dihydrobicolorine","","","","","","","","","","","","","","","","","","","","5,6-Dihydrobicolorine","","CN1CC2=CC3=C(C=C2C4=CC=CC=C41)OCO3","WAZIYEFJZKKXBR-UHFFFAOYSA-N","375118",NA,"PDBC25534","654242","Present"
-"5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile","","","","","","","","","","","","","","","","","","","","JJWVROPXUHNEPC-UHFFFAOYSA-N","","C1C(C2=CC3=C(C=C21)OCO3)C#N","JJWVROPXUHNEPC-UHFFFAOYSA-N","390052",NA,"PDBC25535","686966","Present"
-"5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carboxamide","","","","","","","","","","","","","","","","","","","","9,11-Dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene-4-carboxamide","","C1C(C2=CC3=C(C=C21)OCO3)C(=O)N","JFICWBJQMVMQJL-UHFFFAOYSA-N","394210",NA,"PDBC25536","697492","Present"
-"5,6-Dihydroxy-2,2,12,12-tetramethylcyclododecanone","","","","","","","","","","","","","","","","","","","","5,6-Dihydroxy-2,2,12,12-tetramethylcyclododecanone","","CC1(CCCCCC(C(CCC(C1=O)(C)C)O)O)C","TZVNHFIAGBZLCA-UHFFFAOYSA-N","385899",NA,"PDBC25537","677300","Present"
-"5,6-Dihydroxynaphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5,6-Dihydroxynaphthalene-2-carboxylic acid","","C1=CC2=C(C=CC(=C2O)O)C=C1C(=O)O","ICGAFQWZWKIUMN-UHFFFAOYSA-N","390997",NA,"PDBC25538","689403","Present"
-"5,6-Dimethoxy-1-((4-methylphenyl)sulfonyl)-2,3-dihydrocyclopenta[ij]isoquinolin-7(1H)-one","","","","","","","","","","","","","","","","","","","","5,6-Dimethoxy-1-((4-methylphenyl)sulfonyl)-2,3-dihydrocyclopenta[ij]isoquinolin-7(1H)-one","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C4=C3C2=CC4=O)OC)OC","JSHLZAMWNIGXHA-UHFFFAOYSA-N","363870",NA,"PDBC25539","629160","Present"
-"5,6-Dimethoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-isoindol-1-one","","","","","","","","","","","","","","","","","","","","5,6-Dimethoxy-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-2,3-dihydro-1H-isoindol-1-one","","COC1=C(C=C2C(=C1)CN(C2=O)C3=CC=C(C=C3)OCCN4CCCC4)OC","ZIWCXNQMIBEWNF-UHFFFAOYSA-N","379544",NA,"PDBC25540","664220","Present"
-"5,6-Dimethoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","5,6-Dimethoxy-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1H-isoindole-1,3(2H)-dione","","COC1=C(C=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCCN4CCCC4)OC","BUTFOWCWBBFYMG-UHFFFAOYSA-N","379548",NA,"PDBC25541","664224","Present"
-"5,6-Dimethoxy-2-naphthoic acid","","","","","","","","","","","","","","","","","","","","RHWBIJFJDHSLFI-UHFFFAOYSA-N","","COC1=C(C2=C(C=C1)C=C(C=C2)C(=O)O)OC","RHWBIJFJDHSLFI-UHFFFAOYSA-N","380861",NA,"PDBC25542","666601","Present"
-"5,6-Dimethoxy-3-phenyl-2,1-benzisoxazole","","","","","","","","","","","","","","","","","","","","5,6-Dimethoxy-3-phenyl-2,1-benzisoxazole","","COC1=CC2=C(ON=C2C=C1OC)C3=CC=CC=C3","CEEUXQDMFJWGAB-UHFFFAOYSA-N","363744",NA,"PDBC25543","628935","Present"
-"5,6-Dimethoxy-9-(methylthio)furo[3',4':4,5]cyclopenta[1,2,3-ij]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dimethoxy-9-(methylthio)furo[3',4':4,5]cyclopenta[1,2,3-ij]isoquinoline","","COC1=C(C2=C3C(=C1)C=CN=C3C4=C(OC=C24)SC)OC","KEWOBOAPSKTWLC-UHFFFAOYSA-N","363754",NA,"PDBC25544","628946","Present"
-"5,6-Dimethoxy-N-(2-phenylethyl)-2-naphthamide","","","","","","","","","","","","","","","","","","","","5,6-Dimethoxy-N-(2-phenylethyl)-2-naphthamide","","COC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NCCC3=CC=CC=C3)OC","FEAWYMCBPYEOQN-UHFFFAOYSA-N","380854",NA,"PDBC25545","666594","Present"
-"5,6-Dimethoxy-N-[2-(piperidin-2-yl)ethyl]quinolin-8-amine--hydrogen iodide (1/1)","","","","","","","","","","","","","","","","","","","","5,6-Dimethoxy-N-(2-piperidin-2-ylethyl)quinolin-8-amine;hydroiodide","","COC1=C(C2=C(C(=C1)NCCC3CCCCN3)N=CC=C2)OC.I","SFXJJDBNSMYEDP-UHFFFAOYSA-N","24182013",NA,"PDBC25546","13275","Present"
-"5,6-Dimethoxyphenanthrene-9-carboxylic acid","","","","","","","","","","","","","","","","","","","","5,6-Dimethoxyphenanthrene-9-carboxylic acid","","COC1=C(C2=C(C=C1)C(=CC3=CC=CC=C32)C(=O)O)OC","VWWCKIFSQVBURI-UHFFFAOYSA-N","363550",NA,"PDBC25547","628514","Present"
-"5,6-Dimethyl-1-tetrahydrofuran-2-yl-benzimidazole","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-1-tetrahydrofuran-2-yl-benzimidazole","","CC1=CC2=C(C=C1C)N(C=N2)C3CCCO3","FSRRNQVQTHCLOS-UHFFFAOYSA-N","388074",NA,"PDBC25548","682537","Present"
-"5,6-Dimethyl-1-tetrahydrofuran-2-yl-benzotriazole","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-1-tetrahydrofuran-2-yl-benzotriazole","","CC1=CC2=C(C=C1C)N(N=N2)C3CCCO3","GIGGANWDNCFNAN-UHFFFAOYSA-N","388085",NA,"PDBC25549","682548","Present"
-"5,6-Dimethyl-1-tetrahydropyran-2-yl-benzimidazole","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-1-tetrahydropyran-2-yl-benzimidazole","","CC1=CC2=C(C=C1C)N(C=N2)C3CCCCO3","ASIWCDIGTQZVDE-UHFFFAOYSA-N","388075",NA,"PDBC25550","682538","Present"
-"5,6-Dimethyl-1-tetrahydropyran-2-yl-benzotriazole","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-1-tetrahydropyran-2-yl-benzotriazole","","CC1=CC2=C(C=C1C)N(N=N2)C3CCCCO3","LENMEYVGKIGSTM-UHFFFAOYSA-N","388093",NA,"PDBC25551","682556","Present"
-"5,6-Dimethyl-2,3-dihydrothieno[2,3-c]pyridin-7-one","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-2,3-dihydrothieno[2,3-c]pyridin-7-one","","CC1=CC2=C(C(=O)N1C)SCC2","RWQODWKLONPNAO-UHFFFAOYSA-N","394440",NA,"PDBC25552","697916","Present"
-"5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","Benzothiazole, 2-[2,2-bis(trifluoromethyl)ethenyl]-5,6-d...","","CC1=CC2=C(C=C1C)SC(=N2)C=C(C(F)(F)F)C(F)(F)F","JOUFTDDYFMLDEQ-UHFFFAOYSA-N","379609",NA,"PDBC25553","664311","Present"
-"5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)-1,3-benzoxazole","","CC1=CC2=C(C=C1C)OC(=N2)CC(C(F)(F)F)C(F)(F)F","JCOWKOLVSDNUKY-UHFFFAOYSA-N","379612",NA,"PDBC25554","664316","Present"
-"5,6-Dimethyl-2-tetrahydrofuran-2-yl-benzotriazole","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-2-tetrahydrofuran-2-yl-benzotriazole","","CC1=CC2=NN(N=C2C=C1C)C3CCCO3","HNXREWONHFFYJK-UHFFFAOYSA-N","388088",NA,"PDBC25555","682551","Present"
-"5,6-Dimethyl-2-tetrahydropyran-2-yl-benzotriazole","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-2-tetrahydropyran-2-yl-benzotriazole","","CC1=CC2=NN(N=C2C=C1C)C3CCCCO3","DRBPVLGXHIWXJV-UHFFFAOYSA-N","388096",NA,"PDBC25556","682559","Present"
-"5,6-Dimethyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC678052///NSC678055","","CC1=C(N(C(=S)C(=C1)C#N)C2C(C(C(C(O2)CO)O)O)O)C","DFPFNKQBBAZTQH-UHFFFAOYSA-N","386294",NA,"PDBC25557","678052///678055","Present"
-"5,6-Dimethyl-4,4-dioxo-7-(2-pyridylmethyl)-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-4,4-dioxo-7-(2-pyridylmethyl)-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","CC1=C(N(C2=C1S(=O)(=O)C(=NN2)C#N)CC3=CC=CC=N3)C","FLRLXZPKQGTFRM-UHFFFAOYSA-N","392826",NA,"PDBC25558","693803","Present"
-"5,6-Dimethyl-4,4-dioxo-7-phenethyl-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-4,4-dioxo-7-phenethyl-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","CC1=C(N(C2=C1S(=O)(=O)C(=NN2)C#N)CCC3=CC=CC=C3)C","URYPMWFGKXFEHU-UHFFFAOYSA-N","392822",NA,"PDBC25559","693799","Present"
-"5,6-Dimethyl-4-((5-methyl-1,1-dioxido-3-oxo-2-phenyl-1,2,6-thiadiazinan-4-yl)methyl)-2-phenyl-2H-1,2,6-thiadiazin-3(6H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl-4-((5-methyl-1,1-dioxido-3-oxo-2-phenyl-1,2,6-thiadiazinan-4-yl)methyl)-2-phenyl-2H-1,2,6-thiadiazin-3(6H)-one 1,1-dioxide","","CC1C(C(=O)N(S(=O)(=O)N1)C2=CC=CC=C2)CC3=C(N(S(=O)(=O)N(C3=O)C4=CC=CC=C4)C)C","QGIHEFHWYZSHNW-UHFFFAOYSA-N","370227",NA,"PDBC25560","642971","Present"
-"5,6-Dimethyl-N-phenethylthieno[2,3-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","STK755838","","CC1=C(SC2=NC=NC(=C12)NCCC3=CC=CC=C3)C","FRYCCZAEQMQZNB-UHFFFAOYSA-N","403008",NA,"PDBC25561","717481","Present"
-"5,6-Dimethyl-acridone-4-acetic acid","","","","","","","","","","","","","","","","","","","","5,6-Dimethyl- acridone-4-acetic acid","","CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3N2)CC(=O)O)C.[Na+]","GLOGJGPLCBKOFR-UHFFFAOYSA-N","54598897",NA,"PDBC25562","677596","Present"
-"5,6-Dimethylbenzimidazolium-trans-tetrachlorobis (5,6-di...","","","","","","","","","","","","","","","","","","","","5,6-Dimethylbenzimidazolium-trans-tetrachlorobis (5,6-di...","","","","",NA,"PDBC25563","630139","Present"
-"5,6-Dioxo-11H-inden o[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-dimethylamino-1-propyl)-5,6-dioxo-11H-i...","","CN(C)CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","FYGFCQLVSPTQEJ-UHFFFAOYSA-N","11256032",NA,"PDBC25564","726975","Present"
-"5,6-Diphenyl-3-(2-(3-phenyl-3-(phenylthio)-1-propenyl)hydrazino)-2,5-dihydro-1,2,4-triazine","","","","","","","","","","","","","","","","","","","","3-(2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino)-1-phenyl-2-propenyl phenyl sulfide","","C1=CC=C(C=C1)C2C(=NNC(=N2)NNC=CC(C3=CC=CC=C3)SC4=CC=CC=C4)C5=CC=CC=C5","HDKXFUMPAGMDHU-QURGRASLSA-N","6080448",NA,"PDBC25565","640628","Present"
-"5,6-Diphenyl-5,6-dihydropyrrolo[3,4-c]pyrazol-4(2H)-one","","","","","","","","","","","","","","","","","","","","5,6-Diphenyl-5,6-dihydropyrrolo[3,4-c]pyrazol-4(2H)-one","","C1=CC=C(C=C1)C2C3=C(C=NN3)C(=O)N2C4=CC=CC=C4","BPQMRSKQWJGKBY-UHFFFAOYSA-N","379282",NA,"PDBC25566","663788","Present"
-"5,6-Dipyridin-2-ylpyrazine-2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","WGSBXSBPVUTUKB-UHFFFAOYSA-N","","C1=CC=NC(=C1)C2=NC(=C(N=C2C3=CC=CC=N3)C#N)C#N","WGSBXSBPVUTUKB-UHFFFAOYSA-N","396371",NA,"PDBC25567","702320","Present"
-"5,6-Epxoyphysalin B","","","","","","","","","","","","","","","","","","","","PHYSALIN B 5,6-EPOXIDE","","CC12CC3C4(C56C1C(=O)C(O5)(C7CC8C9(O8)CC=CC(=O)C9(C7CCC6(C(=O)O4)O)C)OCC2C(=O)O3)C","VSLWNSSUMFSGFF-UHFFFAOYSA-N","433531",NA,"PDBC25568","332595","Present"
-"5,6-Quinolinedione","","","","","","","","","","","","","","","","","","","","5,6-Quinolinedione","","C1=CC2=C(C=CC(=O)C2=O)N=C1","YLSMOFSAPNMDOC-UHFFFAOYSA-N","344174",NA,"PDBC25569","400944","Present"
-"5,6-b']Dinaphthalene-7,15-dione","","","","","","","","","","","","","","","","","","","","5,6-b']dinaphthalene-7,15-dione","","CN(C)NC1=NS(=O)(=O)C2=C(S1)C=C3C(=C2)C(=O)N(C4=CC5=C(C=C4C(=O)N3N(C)C)S(=O)(=O)N=C(S5)NN(C)C)N(C)C","HRQMQKPWYYFITN-UHFFFAOYSA-N","378504",NA,"PDBC25570","661104","Present"
-"5,6-dibromo-2-oxiranyl-6-methyl-1,2-oxidoheptane","","","","","","","","","","","","","","","","","","","","5,6-dibromo-2-oxiranyl-6-methyl-1,2-oxidoheptane","","CC(C)(C(CCC1(CO1)C2CO2)Br)Br","WCSBTSWCLLSCFB-UHFFFAOYSA-N","379053",NA,"PDBC25571","662823","Present"
-"5,6:9,8-Bis[oxy(2-methylpropane-2,3-diyl)]dibenzo[a,j]phenazine","","","","","","","","","","","","","","","","","","","","6,6,26,26-Tetramethyl-7,25-dioxa-2,16-diazaheptacyclo[15.11.0.03,15.04,8.09,14.018,23.024,28]octacosa-1,3(15),4(8),9,11,13,16,18,20,22,24(28)-undecaene","","CC1(CC2=C(O1)C3=CC=CC=C3C4=C2N=C5C6=C(C7=CC=CC=C7C5=N4)OC(C6)(C)C)C","FEBDTUPXSQYUQP-UHFFFAOYSA-N","397768",NA,"PDBC25572","706191","Present"
-"5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone","","","","","","","","","","","","","","","","","","","","LMPK12113330","","COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)O","AOOSHVWNBJZOEH-UHFFFAOYSA-N","5386962",NA,"PDBC25573","618933","Present"
-"5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone","","","","","","","","","","","","","","","","","","","","5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone","","COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC","NFIDLKYHCKUWAW-UHFFFAOYSA-N","5352085",NA,"PDBC25574","692307","Present"
-"5,7,4'-trihydroxy-8-c-prenyldihydro-flavonol","","","","","","","","","","","","","","","","","","","","5,7,4'-trihydroxy-8-c-prenyldihydro-flavonol","","CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(C(O2)C3=CC=C(C=C3)O)O)C","IPWPEUJWMOPJDG-UHFFFAOYSA-N","368925",NA,"PDBC25575","640333","Present"
-"5,7,8-Trimethoxy-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene","","","","","","","","","","","","","","","","","","","","5,7,8-Trimethoxy-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene","","COC1=CC(=C(C2=C1C=CCC2C3=CC(=C(C=C3OC)OC)OC)OC)OC","HEVCGGWNZOCYBP-UHFFFAOYSA-N","360164",NA,"PDBC25576","622097","Present"
-"5,7-Bis(carbomethoxy)-6-hydroxy-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","5,7-Bis(carbomethoxy)-6-hydroxy-1,4-naphthoquinone","","COC(=O)C1=C(C(=C2C(=O)C=CC(=O)C2=C1)C(=O)OC)O","KJPUTDKQDZJLGV-UHFFFAOYSA-N","368858",NA,"PDBC25577","640193","Present"
-"5,7-Bis(dimethylamino)-2-(2-(hydroxy(oxido)amino)phenyl)(1,2,4)triazolo(1,5-a)(1,3,5)triazine","","","","","","","","","","","","","","","","","","","","5,7-Bis(dimethylamino)-2-(2-(hydroxy(oxido)amino)phenyl)(1,2,4)triazolo(1,5-a)(1,3,5)triazine","","CN(C)C1=NC2=NC(=NN2C(=N1)N(C)C)C3=CC=CC=C3[N+](=O)[O-]","CGWSOSGCEDSGDS-UHFFFAOYSA-N","330714",NA,"PDBC25578","319951","Present"
-"5,7-Bis(trifluoromethyl)-2,3-dihydroisothiazolo[2,3-a]azepine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","Isothiazolo[2,3-a]azepine, 5,7-bis(trifluoromethyl)- 2,3...","","C1CS(=O)(=O)N2C1=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","SPYVOADDHVSQOG-UHFFFAOYSA-N","354292",NA,"PDBC25579","605440","Present"
-"5,7-Dichloro-1H-thieno[3,4-b]pyridin-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-1h-thieno[3,4-e]pyridin-2-one","","C1=CC(=O)NC2=C(SC(=C21)Cl)Cl","GWNPBGQLUSBVMS-UHFFFAOYSA-N","397154",NA,"PDBC25580","704555","Present"
-"5,7-Dichloro-2-phenylquinolin-4-ol","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-2-phenylquinolin-4-ol","","C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3Cl)Cl","ADDCHPPUBPELLX-UHFFFAOYSA-N","375913",NA,"PDBC25581","656250","Present"
-"5,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one","","C1=COC(=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","RHDRZDUIEIVCRG-UHFFFAOYSA-N","366627",NA,"PDBC25582","635302","Present"
-"5,7-Dichloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one","","C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)F","BDNAEDXMOWNCIW-UHFFFAOYSA-N","366727",NA,"PDBC25583","635444","Present"
-"5,7-Dichloro-3-[2-(2,4-dibromophenyl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one","","","","","","","","","","","","","","","","","","","","1H-Indol-2-one, 3-[2-(2,4-dibromophenyl)-2-oxoethyl]- 5,...","","C1=CC(=C(C=C1Br)Br)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","SGEQJPGMZJHPIN-UHFFFAOYSA-N","366688",NA,"PDBC25584","635405","Present"
-"5,7-Dichloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one","","","","","","","","","","","","","","","","","","","","Indole-2,3-dione, 5,7-dichloro-, 3-[(o-nitrophenyl) hydr...","","C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O)[N+](=O)[O-]","MGGOGLZHYDRDOA-UHFFFAOYSA-N","3724036",NA,"PDBC25585","117187","Present"
-"5,7-Dichloro-3-hydroxy-3-(1-oxo-2,3-dihydro-1H-inden-2-yl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-hydroxy-3-(1-oxo-2,3-dihydro-1H-inden-2-yl)-1,3-dihydro-2H-indol-2-one","","C1C(C(=O)C2=CC=CC=C21)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","HTHBQTFZAGJJCD-UHFFFAOYSA-N","366639",NA,"PDBC25586","635314","Present"
-"5,7-Dichloro-3-hydroxy-3-(2-(1-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-hydroxy-3-(2-(1-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","C1=CC=C2C(=C1)C=CC=C2C(=O)CC3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","XPVRXXHQUZULBI-UHFFFAOYSA-N","366653",NA,"PDBC25587","635328","Present"
-"5,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","GCHNDAJZGRASHZ-UHFFFAOYSA-N","366527",NA,"PDBC25588","635136","Present"
-"5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-dichloro-3-hydroxy-3-[2-(4-hydroxy-3-methoxyphenyl)-...","","COC1=C(C=CC(=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)O","XNEACTYFIWKRDG-UHFFFAOYSA-N","366624",NA,"PDBC25589","635299","Present"
-"5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","CC(C(=O)C1=CC=C(C=C1)O)C2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","ARAHZOQFRZLIQU-UHFFFAOYSA-N","366622",NA,"PDBC25590","635297","Present"
-"5,7-Dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-d...","","C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","DUESBWOCHRCRBK-UHFFFAOYSA-N","366637",NA,"PDBC25591","635312","Present"
-"5,7-Dichloro-3-hydroxy-3-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-1,3-dihydro-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-hydroxy-3-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-1,3-dihydro-indol-2-one","","CC1=C(C2=CC=CC=C2N1)C(=O)CC3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","CEIIMNABGZPOEZ-UHFFFAOYSA-N","366649",NA,"PDBC25592","635324","Present"
-"5,7-Dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one","","C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","CGVKNDAEXKLQAY-UHFFFAOYSA-N","366721",NA,"PDBC25593","635438","Present"
-"5,7-Dichloro-3-hydroxy-3-[2-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-hydroxy-3-[2-(4-hydroxy-6-methyl-2-oxo-pyran-3-yl)-2-oxo-ethyl]indolin-2-one","","CC1=CC(=C(C(=O)O1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)O","ORAMVSKOWWUEET-UHFFFAOYSA-N","54676236",NA,"PDBC25594","625910","Present"
-"5,7-Dichloro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxo-ethyl]indolin-2-one","","","","","","","","","","","","","","","","","","","","5,7-dichloro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-...","","C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)[N+](=O)[O-]","SNBMSGAENDBKPB-UHFFFAOYSA-N","366651",NA,"PDBC25595","635326","Present"
-"5,7-Dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one","","C1=CC=C(C=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","PUKFQHGCBHIUKI-UHFFFAOYSA-N","359737",NA,"PDBC25596","621183","Present"
-"5,7-Dichloro-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","C1=CC=C(C=C1)N2C3=C(C(=NC(=N3)Cl)Cl)SC2=S","GYEBXKRPTRUWGB-UHFFFAOYSA-N","373698",NA,"PDBC25597","650590","Present"
-"5,7-Dichloro-8-[(5,5'-ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-8-[(5,5'-ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline","","CC(C)(C)C1=CC2=C(C=C1)OP3(O2)(OC4=C(O3)C=C(C=C4)C(C)(C)C)OC5=C(C=C(C6=C5N=CC=C6)Cl)Cl","FNVKFXZFEBNUOF-UHFFFAOYSA-N","360386",NA,"PDBC25598","622451","Present"
-"5,7-Dichloro[1,3]dithiolo[4,5-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","1,3-Dithiolo[3,4-d]pyrimidine-2-thione, 5,7-dichloro-","","C12=C(N=C(N=C1Cl)Cl)SC(=S)S2","GYIKKMRDMPCYGT-UHFFFAOYSA-N","385060",NA,"PDBC25599","675989","Present"
-"5,7-Dichloroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","5,7-Dichloroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester","","CCOC(=O)C1=CN2C3=C(C=C(C=C3Cl)Cl)SC2=N1","SYYAOKDHJQDQSK-UHFFFAOYSA-N","396587",NA,"PDBC25600","703095","Present"
-"5,7-Dichloroisatin","","","","","","","","","","","","","","","","","","","","5,7-dichloroisatin","","C1=C(C=C(C2=C1C(=O)C(=O)N2)Cl)Cl","AYGGQJHJRFZDFH-UHFFFAOYSA-N","80771",NA,"PDBC25601","26045","Present"
-"5,7-Difluoro-2-phenylquinolin-4-ol","","","","","","","","","","","","","","","","","","","","5,7-Difluoro-2-phenylquinolin-4-ol","","C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3F)F","MCRQMTJKYFYOOH-UHFFFAOYSA-N","375908",NA,"PDBC25602","656245","Present"
-"5,7-Dihydroquinolino[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","5H-Quino[3,2-d][1]benzazepine-6(7H)-one","","C1C2=CC3=CC=CC=C3N=C2C4=CC=CC=C4NC1=O","NWNLZNHOGRVYJX-UHFFFAOYSA-N","386347",NA,"PDBC25603","678130","Present"
-"5,7-Dihydroquinolino[3,2-d][1]benzazepine-6-thione","","","","","","","","","","","","","","","","","","","","5,7-Dihydroquinolino[3,2-d][1]benzazepine-6-thione","","C1C2=CC3=CC=CC=C3N=C2C4=CC=CC=C4NC1=S","IQJXCSSFHCGRMU-UHFFFAOYSA-N","3005168",NA,"PDBC25604","679092","Present"
-"5,7-Dihydroxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one","","","","","","","","","","","","","","","","","","","","5,7-Dihydroxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one","","COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC)OC","WGENACRXJPEGDC-UHFFFAOYSA-N","5467243",NA,"PDBC25605","649088","Present"
-"5,7-Dihydroxy-2-[3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one","","","","","","","","","","","","","","","","","","","","5,7-Dihydroxy-2-[3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one","","CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C=CC(C)(C)O)OC)C","BOBWTYODGOYWRC-CMDGGOBGSA-N","5472156",NA,"PDBC25606","716722","Present"
-"5,7-Dihydroxy-2-nonylchromen-4-one","","","","","","","","","","","","","","","","","","","","5,7-Dihydroxy-2-nonyl-chromen-4-one","","CCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O","GNPQWPVJZHHCFA-UHFFFAOYSA-N","5378621",NA,"PDBC25607","684578","Present"
-"5,7-Dihydroxy-2-oxo-4-propylchromene-8-carbaldehyde","","","","","","","","","","","","","","","","","","","","ZAJHTCIZKOYEAX-UHFFFAOYSA-N","","CCCC1=CC(=O)OC2=C(C(=CC(=C12)O)O)C=O","ZAJHTCIZKOYEAX-UHFFFAOYSA-N","5466199",NA,"PDBC25608","681245","Present"
-"5,7-Dihydroxy-3',4'-dimethoxyflavone","","","","","","","","","","","","","","","","","","","","Kampferol-3,4'-dimethyl ether","","COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC","AOLOMULCAJQEIG-UHFFFAOYSA-N","5351234",NA,"PDBC25609","128305","Present"
-"5,7-Dihydroxy-3-(4-hydroxybenzylidene)-6-methoxychroman-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-...","","COC1=C(C2=C(C=C1O)OCC(=CC3=CC=C(C=C3)O)C2=O)O","XBKVYKNZOWKIBD-UXBLZVDNSA-N","5472706",NA,"PDBC25610","720875","Present"
-"5,7-Dihydroxy-3-[3-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-oxo-chroman-8-yl]-2-(4-hydroxyphenyl)chromen-4-one","","","","","","","","","","","","","","","","","","","","5,7-Dihydroxy-3-[3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-2-(4-hydroxyphenyl)chromen-4-one","","COC1=C(C=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O","LIXLQHZDLFCVIN-UHFFFAOYSA-N","5465661",NA,"PDBC25611","658583","Present"
-"5,7-Dihydroxy-6-((2-hydroxy-5-isopropyl-3-oxo-1,4,6-cycloheptatrien-1-yl)(4-methoxyphenyl)methyl)-2-phenyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","5,7-Dihydroxy-6-[(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-2-phenylchromen-4-one","","CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=CC=C5)O)O","NITWTRKENZMDSS-UHFFFAOYSA-N","361382",NA,"PDBC25612","624406","Present"
-"5,7-Dimethoxy-2-4-[5-(3,4,5-trimethoxyphenyl)-1H-1-imidazolyl]phenyl-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","5,7-dimethoxy-2-4-[5-(3,4,5-trimethoxyphenyl)-1H-1-imida...","","COC1=CC2=C(C(=C1)OC)SC(=N2)C3=CC=C(C=C3)N4C=NC=C4C5=CC(=C(C(=C5)OC)OC)OC","FYWRFMCIWNBVAB-UHFFFAOYSA-N","60147634",NA,"PDBC25613","751899","Present"
-"5,7-Dimethoxy-2-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","5,7-Dimethoxy-2-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,4-dione","","CC1(OCCCO1)CC2=CC(=O)C3=C(C2=O)C=C(C=C3OC)OC","ZHOZOWOWNFLURO-UHFFFAOYSA-N","372272",NA,"PDBC25614","647328","Present"
-"5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-","","COC1=CC2=C(C=C(C(=O)O2)C(=O)O)C(=C1)OC","ANBQYCWQBFWXTH-UHFFFAOYSA-N","10264101",NA,"PDBC25615","746848","Present"
-"5,7-Dimethoxy-3-(4-methoxyphenyl)-2-pyridin-3-yl-2,3-dihydrochromen-4-one","","","","","","","","","","","","","","","","","","","","5,7-Dimethoxy-3-(4-methoxyphenyl)-2-(pyridin-3-yl)-2,3-dihydro-4H-chromen-4-one","","COC1=CC=C(C=C1)C2C(OC3=C(C2=O)C(=CC(=C3)OC)OC)C4=CN=CC=C4","KSVXEEMRTGJPEI-UHFFFAOYSA-N","381881",NA,"PDBC25616","669144","Present"
-"5,7-Dimethoxy-3-phenyl-2-pyridin-3-yl-2,3-dihydrochromen-4-one","","","","","","","","","","","","","","","","","","","","5,7-Dimethoxy-3-phenyl-2-(pyridin-3-yl)-2,3-dihydro-4H-chromen-4-one","","COC1=CC2=C(C(=C1)OC)C(=O)C(C(O2)C3=CN=CC=C3)C4=CC=CC=C4","FSMNLYWDBIFGPC-UHFFFAOYSA-N","381880",NA,"PDBC25617","669143","Present"
-"5,7-Dimethoxy-4-methylcoumarin","","","","","","","","","","","","","","","","","","","","BAS 00872573","","CC1=CC(=O)OC2=C1C(=CC(=C2)OC)OC","WFSKVHPOKPQJSU-UHFFFAOYSA-N","390799",NA,"PDBC25618","688795","Present"
-"5,7-Dimethoxyflavanone","","","","","","","","","","","","","","","","","","","","5,7-Dimethoxyflavanon","","COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC","IAFBOKYTDSDNHV-UHFFFAOYSA-N","378567",NA,"PDBC25619","661206","Present"
-"5,7-Dimethyl-1,2,3-benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","5,7-Dimethyl-1,2,3-benzodithiazol-1-ium;chloride","","CC1=CC2=NS[S+]=C2C(=C1)C.[Cl-]","PFFJBUUOXNRLRO-UHFFFAOYSA-M","359776",NA,"PDBC25620","621344","Present"
-"5,7-Dimethyl-2-phenylquinolin-4-ol","","","","","","","","","","","","","","","","","","","","5,7-Dimethyl-2-phenylquinolin-4-ol","","CC1=CC(=C2C(=C1)NC(=CC2=O)C3=CC=CC=C3)C","LWGDYKNQKDYFPS-UHFFFAOYSA-N","380403",NA,"PDBC25621","665925","Present"
-"5,7-Dimethyl-3-phenylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione","","","","","","","","","","","","","","","","","","","","5',7-Dimethyl-3-phenyl-isoxazolo(3,4-d)pyrimidin-4,6-dione","","CN1C2=NOC(=C2C(=O)N(C1=O)C)C3=CC=CC=C3","AMRYLFCALUMNPV-UHFFFAOYSA-N","387458",NA,"PDBC25622","681264","Present"
-"5,7-Dimethyl-3H-1,2,3-benzodithiazole 2-oxide","","","","","","","","","","","","","","","","","","","","5,7-Dimethyl-3H-1,2,3-benzodithiazole 2-oxide","","CC1=CC(=C2C(=C1)NS(=O)S2)C","AWECTPWLHFSJDF-GFCCVEGCSA-N","367356",NA,"PDBC25623","636993","Present"
-"5,7-Dimethyl-3H-indolizin-4-ium;perchlorate","","","","","","","","","","","","","","","","","","","","5,7-Dimethyl-3H-indolizin-4-ium;perchlorate","","CC1=CC(=[N+]2CC=CC2=C1)C.[O-]Cl(=O)(=O)=O","XTWYJDCHIYMWNN-UHFFFAOYSA-M","13860657",NA,"PDBC25624","622503","Present"
-"5,7-Dimethyl-4-phenyl-1H-quinolin-2-one","","","","","","","","","","","","","","","","","","","","5,7-Dimethyl-4-phenylquinolin-2(1H)-one","","CC1=CC(=C2C(=CC(=O)NC2=C1)C3=CC=CC=C3)C","OHNWLNQFOCBDFP-UHFFFAOYSA-N","380409",NA,"PDBC25625","665931","Present"
-"5,7-Dinitro-1H-indole-2,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","5,7-Dinitro-1H-indole-2,3-dicarboxylic acid","","C1=C(C=C(C2=C1C(=C(N2)C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]","IPYQIERLCKCBJV-UHFFFAOYSA-N","280188",NA,"PDBC25626","131615","Present"
-"5,7-Dioxahexacyclo[6.5.1.02,11.03,14.04,10.09,13]tetradecane-6-thione","","","","","","","","","","","","","","","","","","","","5,7-Dioxahexacyclo[6.5.1.02,11.03,14.04,10.09,13]tetradecane-6-thione","","C1C2C3C4C1C5C2C6C3C4C5OC(=S)O6","KYWFAWBRODSSIP-UHFFFAOYSA-N","363764",NA,"PDBC25627","628971","Present"
-"5,7-Dioxobicyclo[2.2.1]heptane-2,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","5,7-Dioxobicyclo[2.2.1]heptane-2,3-dicarboxylic acid","","C1C2C(C(C(C1=O)C2=O)C(=O)O)C(=O)O","HMRHDYJPOIFZBZ-UHFFFAOYSA-N","274449",NA,"PDBC25628","120495","Present"
-"5,7-Dioxocyclopenta[c]pyridine-6,6-dicarbonitrile","","","","","","","","","","","","","","","","","","","","5,7-Dioxocyclopenta[c]pyridine-6,6-dicarbonitrile","","C1=CN=CC2=C1C(=O)C(C2=O)(C#N)C#N","VGDVBZQQBCTORT-UHFFFAOYSA-N","389472",NA,"PDBC25629","685680","Present"
-"5,7-Diphenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine","","","","","","","","","","","","","","","","","","","","CBDivE_004393","","C1=CC=C(C=C1)C2C=C(NC3=NN=NN23)C4=CC=CC=C4","BPQBPYCYPRIGLJ-UHFFFAOYSA-N","404636",NA,"PDBC25630","721064","Present"
-"5,7-Ditert-butyl-8-hydroxy-1,4-benzoxathiin-2-one","","","","","","","","","","","","","","","","","","","","5,7-Ditert-butyl-8-hydroxy-1,4-benzoxathiin-2-one","","CC(C)(C)C1=CC(=C2C(=C1O)OC(=O)CS2)C(C)(C)C","YQDDSWHINDJAQC-UHFFFAOYSA-N","398520",NA,"PDBC25631","708431","Present"
-"5,7a-Dicyano-4,7-dihydroxy-i ndol-3-cabonacidethylester","","","","","","","","","","","","","","","","","","","","5,6-Dichloro-1-(4-chlorphenyl)-3a,7a-dicyano-4,7-dihydro...","","CCOC(=O)C1=C(N(C2(C1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)C3=CC=C(C=C3)Cl)C","WFHWZRBFDPYQNQ-VQTJNVASSA-N","24205845",NA,"PDBC25632","736919","Present"
-"5,7a-Dicyano-4,7-dihydroxy-indol-3-carbonacidethylester","","","","","","","","","","","","","","","","","","","","5,6-Dichlor-1-(4-methoxyphenyl)-3a,7a-dicyano-4,7-dihydr...","","CCOC(=O)C1=C(N(C2(C1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4","UIOROZPWBOJTSS-IZZNHLLZSA-N","24205847",NA,"PDBC25633","736921","Present"
-"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carbonitrile","","CC1=CC2=C(C(=O)OC2(C(C1)C3=CC=CC=C3)C)C#N","BWPCOPALCNZLRA-UHFFFAOYSA-N","354550",NA,"PDBC25634","606566","Present"
-"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carboxamide","","","","","","","","","","","","","","","","","","","","5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carboxamide","","CC1=CC2=C(C(=O)OC2(C(C1)C3=CC=CC=C3)C)C(=O)N","DSRJHESEKMVRDL-UHFFFAOYSA-N","354551",NA,"PDBC25635","606567","Present"
-"5,8,13,13a-Tetrahydro-2,3,4,10-tetramethoxy-6H-dibenzo[a,g]quinolizine","","","","","","","","","","","","","","","","","","","","5,8,13,13a-Tetrahydro-2,3,4,10-tetramethoxy-6H-dibenzo(a...","","COC1=CC2=C(CC3C4=CC(=C(C(=C4CCN3C2)OC)OC)OC)C=C1","WDKVEUAJLWWOEF-UHFFFAOYSA-N","370819",NA,"PDBC25636","644470","Present"
-"5,8,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxoparaliane","","","","","","","","","","","","","","","","","","","","[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-Triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate","","CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5(C(C4(C2OC(=O)C)C)CC(C5=O)(C)C)OC(=O)C)C)OC(=O)C)O","IEQTVHJLWRGNIY-ANWQMKQLSA-N","390635",NA,"PDBC25637","688237","Present"
-"5,8-Bis(2-dimethylaminoethylamino)benzo[f][1,3]benzothiazole-4,9-dione","","","","","","","","","","","","","","","","","","","","5,8-Bis(2-dimethylaminoethylamino)benzo[f][1,3]benzothiazole-4,9-dione","","CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C2=O)N=CS3","JMDAJKDMUPMFLN-UHFFFAOYSA-N","389763",NA,"PDBC25638","686359","Present"
-"5,8-Bis(benzyloxy)naphtho[2,3-c]thiophene-4,9-dione","","","","","","","","","","","","","","","","","","","","5,8-Bis(benzyloxy)naphtho[2,3-c]thiophene-4,9-dione","","C1=CC=C(C=C1)COC2=C3C(=C(C=C2)OCC4=CC=CC=C4)C(=O)C5=CSC=C5C3=O","UUPOCRWJAMPRTK-UHFFFAOYSA-N","383761",NA,"PDBC25639","672203","Present"
-"5,8-Bis(cyclopropylmethylamino)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","5,8-Bis[(cyclopropylmethyl)amino]naphthalene-1,4-dione","","C1CC1CNC2=C3C(=O)C=CC(=O)C3=C(C=C2)NCC4CC4","RPDBXYUSYQRSKQ-UHFFFAOYSA-N","384114",NA,"PDBC25640","673343","Present"
-"5,8-Difluoro-2-phenyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","5,8-Difluoro-2-phenylquinolin-4(1H)-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC(=C3N2)F)F","MZUVMNJFCBQLNV-UHFFFAOYSA-N","375909",NA,"PDBC25641","656246","Present"
-"5,8-Dihydroxy-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","Naphthazarin","","C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O","RQNVIKXOOKXAJQ-UHFFFAOYSA-N","10141",NA,"PDBC25642","26647","Present"
-"5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione","","","","","","","","","","","","","","","","","","","","5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione","","CC12C3C(C(O1)C(=O)C24CCC4)C(=O)C5=C(C=CC(=C5C3=O)O)O","WICIIKBEJYOPSB-UHFFFAOYSA-N","406706",NA,"PDBC25643","724971","Present"
-"5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione","","","","","","","","","","","","","","","","","","","","5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione","","CC12C3C(C(O1)C(=O)C24CC4)C(=O)C5=C(C=CC(=C5C3=O)O)O","YGGCOMOQBXNKPH-UHFFFAOYSA-N","406708",NA,"PDBC25644","724973","Present"
-"5,8-Dihydroxy-1-tetralone","","","","","","","","","","","","","","","","","","","","5,8-Dihydroxy-1-tetralone","","C1CC2=C(C=CC(=C2C(=O)C1)O)O","RXOWVXQQENEZMJ-UHFFFAOYSA-N","357437",NA,"PDBC25645","616265","Present"
-"5,8-Dihydroxy-2-(2-methoxyethoxy)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-(2-Methoxyethoxy)naphthazarin","","COCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","OINAZLMVBPGQJC-UHFFFAOYSA-N","378620",NA,"PDBC25646","661413","Present"
-"5,8-Dihydroxy-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","2-(1-(4-(2-(2-Hydroxyethoxy)ethyl)piperazino))naphthazarin","","C1CN(CCN1CCOCCO)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O","XUITXJZMJYGMRH-UHFFFAOYSA-N","376948",NA,"PDBC25647","658143","Present"
-"5,8-Dihydroxy-2-methoxynaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","6-Methoxynaphthazarin","","COC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","PMJJQZXJIRDYGM-UHFFFAOYSA-N","377431",NA,"PDBC25648","658874","Present"
-"5,8-Dihydroxy-20,20-dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione","","","","","","","","","","","","","","","","","","","","5,8-Dihydroxy-20,20-dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione","","CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=C(C=CC(=C6C5=O)O)O)C","UULWRCLKDWLSGP-UHFFFAOYSA-N","406720",NA,"PDBC25649","724985","Present"
-"5,8-Dihydroxy-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone","","","","","","","","","","","","","","","","","","","","5,8-Dihydroxy-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone","","CC1(CCC(=O)C2=C(C=CC(=C21)O)O)C","BQZRKXOVOCOIIM-UHFFFAOYSA-N","363421",NA,"PDBC25650","628332","Present"
-"5,8-Dihydroxy-6,7,3-trimethoxy-3',4'-methylenedioxyflavone","","","","","","","","","","","","","","","","","","","","5,8-Dihydroxy-6,7,3-trimethoxy-3',4'-methylenedioxyflavone","","COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)O)OC","UHHDDYKSLMZWAD-UHFFFAOYSA-N","386325",NA,"PDBC25651","678101","Present"
-"5,8-Dimethoxy-1-propyl-3,4-dihydro-1H-naphthalen-2-one","","","","","","","","","","","","","","","","","","","","5,8-Dimethoxy-1-propyl-3,4-dihydro-1H-naphthalen-2-one","","CCCC1C(=O)CCC2=C(C=CC(=C12)OC)OC","WGYWSUWWASUMBX-UHFFFAOYSA-N","359519",NA,"PDBC25652","620502","Present"
-"5,8-Dimethoxy-2-(1-phenylethyl)naphthalene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","5,8-Dimethoxy-2-(1-phenylethyl)naphthalene-1-carboxylic acid","","CC(C1=CC=CC=C1)C2=C(C3=C(C=CC(=C3C=C2)OC)OC)C(=O)O","OUSUNIIAWDSDOD-UHFFFAOYSA-N","362070",NA,"PDBC25653","625593","Present"
-"5,8-Dimethoxy-4-(p-(dimethylamino)styryl)quinoline","","","","","","","","","","","","","","","","","","","","NIOSH/VB5150000","","CN(C)C1=CC=C(C=C1)C=CC2=CC=NC3=C(C=CC(=C23)OC)OC","BXTQTAIINSWRAT-VMPITWQZSA-N","6105539",NA,"PDBC25654","268789","Present"
-"5,8-Dimethoxy-4-methylquinoline","","","","","","","","","","","","","","","","","","","","5,8-Dimethoxy-4-methylquinoline","","CC1=CC=NC2=C(C=CC(=C12)OC)OC","NTCXGWIDEYATBA-UHFFFAOYSA-N","395433",NA,"PDBC25655","699978","Present"
-"5,8-Dimethoxy-4-oxo-1,3-dihydronaphthalene-2,2-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","5,8-Dimethoxy-4-oxo-1,3-dihydronaphthalene-2,2-dicarboxylic acid","","COC1=C2CC(CC(=O)C2=C(C=C1)OC)(C(=O)O)C(=O)O","BYJLZPMOWLFPNJ-UHFFFAOYSA-N","358363",NA,"PDBC25656","618329","Present"
-"5,8-Dimethyl-4,7-bis(methylimino)-5a,8a-diphenyl-5,5a,8,8a-tetrahydro-4H-1,3,6-trioxa-5,8-diazaacenaphthylen-2(7H)-one","","","","","","","","","","","","","","","","","","","","7,11-Dimethyl-6,10-bis(methylimino)-1,8-diphenyl-2,5,9-trioxa-7,11-diazatricyclo[6.3.1.04,12]dodec-4(12)-en-3-one","","CN=C1N(C2(C3=C(O1)C(=O)OC3(N(C(=NC)O2)C)C4=CC=CC=C4)C5=CC=CC=C5)C","RZOAUVQGDQHZBJ-UHFFFAOYSA-N","354262",NA,"PDBC25657","605334","Present"
-"5,8-Dimethyl-5,8-diazadispiro[2.0.4^{4}.4^{3}]dodeca-9,11-diene","","","","","","","","","","","","","","","","","","","","5,8-Dimethyl-5,8-diazadispiro[2.0.4^{4}.4^{3}]dodeca-9,11-diene","","CN1CCN(C12C=CC=CC23CC3)C","YYDLVJFPPLSBJN-UHFFFAOYSA-N","362768",NA,"PDBC25658","627049","Present"
-"5,8-Dimethyl-6-nitro-9H-carbazol-3-ol","","","","","","","","","","","","","","","","","","","","CCRIS 8643","","CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)O)C)[N+](=O)[O-]","TUAGXPFZJDEELX-UHFFFAOYSA-N","3808433",NA,"PDBC25659","652573","Present"
-"5,8-Dinitro-6-methoxyquinoline","","","","","","","","","","","","","","","","","","","","PJTNDEYGQDPRNS-UHFFFAOYSA-N","","COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=CC=C2)[N+](=O)[O-]","PJTNDEYGQDPRNS-UHFFFAOYSA-N","347193",NA,"PDBC25660","405732","Present"
-"5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-","","","","","","","","","","","","","","","","","","","","5,8-Dihydro-1h-5,8-ethano[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione","","C1CC2C=CC1N3N2C(=O)NC3=O","VKVJQJBIZXBCSW-UHFFFAOYSA-N","391637",NA,"PDBC25661","691123","Present"
-"5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-2-[[(1E)-phenylmethylene]amino]-","","","","","","","","","","","","","","","","","","","","4-[(E)-Benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione","","C1CC2C=CC1N3N2C(=O)N(C3=O)N=CC4=CC=CC=C4","CXWIGQCGZYLJJW-MHWRWJLKSA-N","5469638",NA,"PDBC25662","691121","Present"
-"5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, tetrahydro-2-phenyl-","","","","","","","","","","","","","","","","","","","","2-Phenyltetrahydro-1h-5,8-ethano[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione","","C1CC2CCC1N3N2C(=O)N(C3=O)C4=CC=CC=C4","UGRAYEKXXCWKMN-UHFFFAOYSA-N","391638",NA,"PDBC25663","691124","Present"
-"5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8,9-dihydro-11-(hydroxymethyl)-9-(3,4,5-trimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8...","","COC1=CC(=CC(=C1OC)OC)C2C3C(C(C4=CC5=C(C=C24)OCO5)OC3=O)CO","IXIUIXFHMVRZSY-UHFFFAOYSA-N","315392",NA,"PDBC25664","240553","Present"
-"5,8-Quinolinedione","","","","","","","","","","","","","","","","","","","","AK136303","","C1=CC2=C(C(=O)C=CC2=O)N=C1","NVJSPQCVDHGYRE-UHFFFAOYSA-N","388306",NA,"PDBC25665","682996","Present"
-"5,8-Quinolinedione, 2-methyl-","","","","","","","","","","","","","","","","","","","","5,8-Quinolinedione, 2-methyl-","","CC1=NC2=C(C=C1)C(=O)C=CC2=O","SYRKLPUYGHMXDN-UHFFFAOYSA-N","388305",NA,"PDBC25666","682995","Present"
-"5,8-di(p-toluidino)-1,4-dihydroxyanthraquinone","","","","","","","","","","","","","","","","","","","","5,8-di(p-toluidino)-1,4-dihydroxyanthraquinone","","CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)C)C(=O)C5=C(C=CC(=C5C3=O)O)O","OZQQAZPMNWJRDQ-UHFFFAOYSA-N","90299",NA,"PDBC25667","86169","Present"
-"5,9-Dimethyl-deca-2,4,8-trienoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","NSC107876","","CCOC(=O)C=CC=C(C)CCC=C(C)C","OUMILASNGJWLED-JSJZFMHOSA-N","5380951",NA,"PDBC25668","107876","Present"
-"5,9-Methano-4aH-benzocyclohepten-4a-ol, decahydro-10-methylene-9a-(methylsulfonyl)-","","","","","","","","","","","","","","","","","","","","12-Methylidene-7-methylsulfonyltricyclo[6.3.1.02,7]dodecan-2-ol","","CS(=O)(=O)C12CCCCC1(C3CCCC2C3=C)O","YOPIYYKFENDUOM-UHFFFAOYSA-N","361326",NA,"PDBC25669","624352","Present"
-"5,9-Methano-6H,15H-dibenzo[b,i][1,11,4,5,7,8]dioxatetraazacyclotetradecine, 16,17-dihydro-7-phenyl-","","","","","","","","","","","","","","","","","","","","5,9-Methano-6H,15H-dibenzo[b,i][1,11,4,5,7,8]dioxatetraazacyclotetradecine, 16,17-dihydro-7-phenyl-","","C1COC2=CC=CC=C2N3CN(C4=CC=CC=C4OC1)N=C(N3)C5=CC=CC=C5","LVVAKKBDDNZPIW-UHFFFAOYSA-N","376167",NA,"PDBC25670","656679","Present"
-"5,9-Methylenedioxy-5,11-dioxo-6-propyl-11H-inden o[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-8,9-methylenedioxy-5,11-dioxo-6-propyl-11H-i...","","CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC5=C(C=C42)OCO5","PWZSWARFJDGWPT-UHFFFAOYSA-N","11393445",NA,"PDBC25671","722453","Present"
-"5,9:7,11-Dimethano-5H-pyrrolo[1,2-a]azonine-3-carboxylic acid, 6,7,8,9,10,11-hexahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-azatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene-3-carboxylate","","COC(=O)C1=CC=C2N1C3CC4CC(C3)CC2C4","MRWCFDRJSCBATG-UHFFFAOYSA-N","382984",NA,"PDBC25672","670942","Present"
-"5-(((4-Chlorobenzylidene)amino)methyl)-2-methyl-4-pyrimidinamine","","","","","","","","","","","","","","","","","","","","5-({[(e)-(4-Chlorophenyl)methylidene]amino}methyl)-2-methylpyrimidin-4-amine","","CC1=NC=C(C(=N1)N)CN=CC2=CC=C(C=C2)Cl","JNVZAWDDMSGDQY-UHFFFAOYSA-N","272524",NA,"PDBC25673","116977","Present"
-"5-(((4-Isopropylbenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol","","","","","","","","","","","","","","","","","","","","5-(((4-isopropylbenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmet...","","CC(C)C1=CC=C(C=C1)COCC2=C3C=CC=NC3=C(C(=C2)CN4CCCC4)O","NNIPSBLMEGJOFO-UHFFFAOYSA-N","77108439",NA,"PDBC25674","782180","Present"
-"5-(((Aminocarbonyl)amino)methyl)-1-benzyl-1H-imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-(((Aminocarbonyl)amino)methyl)-1-benzyl-1H-imidazole-4-carboxamide","","C1=CC=C(C=C1)CN2C=NC(=C2CNC(=O)N)C(=O)N","GIBRDDKIQFMLPN-UHFFFAOYSA-N","362124",NA,"PDBC25675","625657","Present"
-"5-(((Tert-Butyl(dimethyl)silyl)oxy)(3,4-dimethoxy-2-(methoxymethoxy)phenyl)methyl)-1-methyl-2-(phenylthio)-1H-imidazole","","","","","","","","","","","","","","","","","","","","Tert-butyl-[[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-(3-methyl-2-phenylsulfanylimidazol-4-yl)methoxy]-dimethylsilane","","CC(C)(C)[Si](C)(C)OC(C1=C(C(=C(C=C1)OC)OC)OCOC)C2=CN=C(N2C)SC3=CC=CC=C3","UNLPTGJLOQDTPF-UHFFFAOYSA-N","385322",NA,"PDBC25676","676439","Present"
-"5-((2,3-Dimethyltetrahydro-2-furanyl)oxy)-3-methyl-2-pentanone","","","","","","","","","","","","","","","","","","","","5-((2,3-Dimethyltetrahydro-2-furanyl)oxy)-3-methyl-2-pentanone","","CC1CCOC1(C)OCCC(C)C(=O)C","OQTJPVDUVXPFKJ-UHFFFAOYSA-N","265148",NA,"PDBC25677","100972","Present"
-"5-((2,4,5-Trichlorophenoxy)methyl)-1,4-dioxane-2,3-diol","","","","","","","","","","","","","","","","","","","","5-((2,4,5-Trichlorophenoxy)methyl)-1,4-dioxane-2,3-diol","","C1C(OC(C(O1)O)O)COC2=CC(=C(C=C2Cl)Cl)Cl","JGIHPWVJUMJHHI-UHFFFAOYSA-N","366909",NA,"PDBC25678","635969","Present"
-"5-((2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","5-[2-[2-(Diethylaminomethyl)-1-piperidyl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CCN(CC)CC1CCCCN1CC(=O)N2CC(C(=O)NC3=CC=CC=C32)C","REKXQUNAUIKCRQ-UHFFFAOYSA-N","372556",NA,"PDBC25679","647773","Present"
-"5-((2-(2-(Diethylamino)ethyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","5-[2-[2-(2-Diethylaminoethyl)-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CCN(CC)CCC1CCCCN1CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C","DQEVNZYQFXFWEA-UHFFFAOYSA-N","379649",NA,"PDBC25680","664526","Present"
-"5-((2-(2-(Diethylamino)ethyl)-1-piperidinyl)acetyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one","","","","","","","","","","","","","","","","","","","","11-[2-[2-(2-Diethylaminoethyl)-1-piperidyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one","","CCN(CC)CCC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42","YCVQUIDTOAIVAE-UHFFFAOYSA-N","379652",NA,"PDBC25681","664530","Present"
-"5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one","","","","","","","","","","","","","","","","","","","","5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one","","CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=CC=C4OC","UOASRCCYMFZXGC-UHFFFAOYSA-N","378419",NA,"PDBC25682","660838","Present"
-"5-((2-(Diethylamino)ethyl)amino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one","","","","","","","","","","","","","","","","","","","","5-((2-(Diethylamino)ethyl)amino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one","","CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C=CC(=C4C2=O)OC)OC","GVUCPNKYHGBWCF-UHFFFAOYSA-N","378420",NA,"PDBC25683","660839","Present"
-"5-((2-Hydroxybenzylidene)amino)isophthalic acid","","","","","","","","","","","","","","","","","","","","5-[(2-hydroxybenzylene)amino]isophthalic acid","","C1=CC=C(C(=C1)C=NC2=CC(=CC(=C2)C(=O)O)C(=O)O)O","FETRQNJXKFMYQL-UHFFFAOYSA-N","276327",NA,"PDBC25684","124029","Present"
-"5-((2-Oxocyclododecyl)methyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","","","","","","","","","","","","","","","","","","","","5-((2-Oxocyclododecyl)methyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","","C1CCCCCC(=O)C(CCCC1)CC2C(=O)NC(=O)NC2=O","BBNZOYBBTKTRQU-UHFFFAOYSA-N","373445",NA,"PDBC25685","649803","Present"
-"5-((2E)-3-Phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","2,4-Thiazolidinedione, 5-(3-phenyl-2-propenylidene)-","","C1=CC=C(C=C1)C=CC=C2C(=O)NC(=O)S2","XABHYXPBBJGVRA-DODKFZKMSA-N","1377751",NA,"PDBC25686","237538","Present"
-"5-((3,4-Diethyl-5-((3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl)-1H-pyrrol-2-yl)methyl)-4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","5-[[3,4-Diethyl-5-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde","","CCC1=C(NC(=C1C)C=O)CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=O)C)CC)CC)CC","RONOMZLUTLYJTD-UHFFFAOYSA-N","374127",NA,"PDBC25687","651492","Present"
-"5-((3,4-Dimethoxy-2-(methoxymethoxy)phenyl)(methoxymethoxy)methyl)-1-methyl-2-(phenylthio)-1H-imidazole","","","","","","","","","","","","","","","","","","","","5-[[3,4-Dimethoxy-2-(methoxymethoxy)phenyl]-(methoxymethoxy)methyl]-1-methyl-2-phenylsulfanylimidazole","","CN1C(=CN=C1SC2=CC=CC=C2)C(C3=C(C(=C(C=C3)OC)OC)OCOC)OCOC","JLXPFFHIOZTYEU-UHFFFAOYSA-N","385321",NA,"PDBC25688","676438","Present"
-"5-((3-(Diethylamino)propyl)amino)-7-ethoxy-4-methylpyrimido[4,5-b]quinolin-2-ol","","","","","","","","","","","","","","","","","","","","5-((3-(Diethylamino)propyl)amino)-7-ethoxy-4-methylpyrimido[4,5-b]quinolin-2-ol","","CCN(CC)CCCNC1=C2C=C(C=CC2=NC3=NC(=O)NC(=C13)C)OCC","UTHOHPWSHLQSLE-UHFFFAOYSA-N","386387",NA,"PDBC25689","678358","Present"
-"5-((4-((5-Methyl-1,3,4-thiadiazol-2-yl)sulfonyl)phenyl)diazenyl)-2,4,6-pyrimidinetriamine","","","","","","","","","","","","","","","","","","","","5-((4-((5-Methyl-1,3,4-thiadiazol-2-yl)sulfonyl)phenyl)diazenyl)-2,4,6-pyrimidinetriamine","","CC1=NN=C(S1)S(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N=C(N=C3N)N)N","UUGWDUKHKVTUGI-UHFFFAOYSA-N","270978",NA,"PDBC25690","114355","Present"
-"5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one","","","","","","","","","","","","","","","","","","","","5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one","","CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42","SRLMLQNXERJQPS-UHFFFAOYSA-N","372625",NA,"PDBC25691","648064","Present"
-"5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","5-[2-[4-[4-(Diethylamino)butyl]-1-piperidyl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CCN(CC)CCCCC1CCN(CC1)CC(=O)N2CC(C(=O)NC3=CC=CC=C32)C","JVGJXYDMHHAVDU-UHFFFAOYSA-N","372558",NA,"PDBC25692","647775","Present"
-"5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","5-[2-[4-[4-(Diethylamino)butyl]-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C","DYRURHSQYPSIJP-UHFFFAOYSA-N","372552",NA,"PDBC25693","647769","Present"
-"5-((4-(4-(Dimethylamino)butyl)-1-piperidinyl)acetyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","5-[2-[4-[4-(Dimethylamino)butyl]-1-piperidyl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CC1CN(C2=CC=CC=C2NC1=O)C(=O)CN3CCC(CC3)CCCCN(C)C","XTGGWYJOYQHGMQ-UHFFFAOYSA-N","372557",NA,"PDBC25694","647774","Present"
-"5-((4-(4-(Dimethylamino)butyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","5-[2-[4-[4-(Dimethylamino)butyl]-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN3CCC(CC3)CCCCN(C)C","IFPRSNVLTRNYCO-UHFFFAOYSA-N","372553",NA,"PDBC25695","647770","Present"
-"5-((4-Amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-N-(2,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-7-oxoheptanamide","","","","","","","","","","","","","","","","","","","","(5E)-5-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]-N-(2,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-7-oxoheptanamide","","CC1=NN=C(N1N)NN=C(CCCC(=O)NC2=C(C=CC(=C2)OC)OC)CC(=O)C3=CC(=C(C=C3)O)OC","IUICYQSRFRJRIK-STBIYBPSSA-N","9569987",NA,"PDBC25696","630315","Present"
-"5-((4-Chlorophenyl)sulfonyl)imidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-4-amine","","","","","","","","","","","","","","","","","","","","5-((4-Chlorophenyl)sulfonyl)imidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-4-amine","","C1=CC=C2C(=C1)N=C3C(=C(C4=NC=CN4C3=N2)N)S(=O)(=O)C5=CC=C(C=C5)Cl","RIRDAJLJBIAKDF-UHFFFAOYSA-N","375329",NA,"PDBC25697","654903","Present"
-"5-((5,6-Dimethoxy-2-naphthoyl)amino)-2-hydroxybenzoic acid","","","","","","","","","","","","","","","","","","","","5-((5,6-Dimethoxy-2-naphthoyl)amino)-2-hydroxybenzoic acid","","COC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O)OC","VEJNLXWVSVKGOU-UHFFFAOYSA-N","380862",NA,"PDBC25698","666602","Present"
-"5-((5-((5-Oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","5-((5-((5-Oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone","","C1=CC2=C(C=CC=C2N=C3C=CC(=O)O3)C(=C1)N=C4C=CC(=O)O4","OOXMVNZKTMFECF-UHFFFAOYSA-N","250321",NA,"PDBC25699","69575","Present"
-"5-((5-Bromo-2-thienyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","5-((5-Bromo-2-thienyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone","","C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)Br)NC2=S","GMLQASCYJNAIHE-FLIBITNWSA-N","5468924",NA,"PDBC25700","679237","Present"
-"5-((5-Methyl-3-thienyl)oxy)-2(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","2(1H)-Pyrimidinone, 5-[(5-methyl-3-thienyl)oxy]-","","CC1=CC(=CS1)OC2=CNC(=O)N=C2","DRBJAKLMKNARRC-UHFFFAOYSA-N","124533",NA,"PDBC25701","610743","Present"
-"5-((7-Chloroquinolin-4-yl)amino)pentan-1-ol hydrochloride","","","","","","","","","","","","","","","","","","","","5-((7-Chloroquinolin-4-yl)amino)pentan-1-ol hydrochloride","","C1=CC2=C(C=CN=C2C=C1Cl)NCCCCCO.Cl","ORDHLEQWTZFJBC-UHFFFAOYSA-N","370996",NA,"PDBC25702","644814","Present"
-"5-((Acetylamino)methyl)-1-benzyl-1H-imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-((Acetylamino)methyl)-1-benzyl-1H-imidazole-4-carboxamide","","CC(=O)NCC1=C(N=CN1CC2=CC=CC=C2)C(=O)N","LYASSSSXPROOCK-UHFFFAOYSA-N","362123",NA,"PDBC25703","625656","Present"
-"5-((Aminocarbothioyl)hydrazono)-6-cyano-6-(4-(cyanomethyl)phenyl)-N-(3-(hydroxy(oxido)amino)phenyl)hexanamide","","","","","","","","","","","","","","","","","","","","(5E)-5-(Carbamothioylhydrazinylidene)-6-cyano-6-[4-(cyanomethyl)phenyl]-N-(3-nitrophenyl)hexanamide","","C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=NNC(=S)N)C(C#N)C2=CC=C(C=C2)CC#N","OUZVIHFOWTXPSP-NHFJDJAPSA-N","6280086",NA,"PDBC25704","622386","Present"
-"5-((Benzylamino)methyl)-8-quinolinol","","","","","","","","","","","","","","","","","","","","5-[(Benzylamino)methyl]quinolin-8-ol","","C1=CC=C(C=C1)CNCC2=C3C=CC=NC3=C(C=C2)O","CKFSZNNHRZDPJV-UHFFFAOYSA-N","279623",NA,"PDBC25705","130830","Present"
-"5-((Benzyloxy)methyl)-1,2,3-thiadiazole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-[(Benzyloxy)methyl]-1,2,3-thiadiazole-4-carboxylic acid","","C1=CC=C(C=C1)COCC2=C(N=NS2)C(=O)O","BQHIBHRQAIRGLL-UHFFFAOYSA-N","241416",NA,"PDBC25706","48747","Present"
-"5-((Benzyloxy)methyl)-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine-6,8(5H,7H)-dione","","","","","","","","","","","","","","","","","","","","5-((Benzyloxy)methyl)-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine-6,8(5H,7H)-dione","","C1CC2=C(C(=O)NC(=O)C2COCC3=CC=CC=C3)SC1","SNVHGZHXWUFBIB-UHFFFAOYSA-N","385454",NA,"PDBC25707","676692","Present"
-"5-((Bis(methylamino)methyl)imino)-1,3,3,4-tetramethyl-1,4,2-diazaphospholidin-2-ol 2-oxide","","","","","","","","","","","","","","","","","","","","5-((Bis(methylamino)methyl)imino)-1,3,3,4-tetramethyl-1,4,2-diazaphospholidin-2-ol 2-oxide","","CC1(N(C(=NC(NC)NC)N(P1(=O)O)C)C)C","HFUUVNATNQAXQK-XYOKQWHBSA-N","9556222",NA,"PDBC25708","676758","Present"
-"5-((Diethylamino)methyl)-3-(5-(hydroxy(oxido)amino)tetrahydro-2-furanyl)-1,2,4-oxadiazole","","","","","","","","","","","","","","","","","","","","5-((Diethylamino)methyl)-3-(5-(hydroxy(oxido)amino)tetrahydro-2-furanyl)-1,2,4-oxadiazole","","CCN(CC)CC1=NC(=NO1)C2CCC(O2)[N+](=O)[O-]","YMJOZLAVCMXZTE-UHFFFAOYSA-N","379972",NA,"PDBC25709","665279","Present"
-"5-((Dimethylamino)methyl)-2-imino-N-phenyl-1,3-oxazolidine-3-carboxamide","","","","","","","","","","","","","","","","","","","","5-((Dimethylamino)methyl)-2-imino-N-phenyl-1,3-oxazolidine-3-carboxamide","","CN(C)CC1CN(C(=N)O1)C(=O)NC2=CC=CC=C2","VSHLFRKIIIEGFW-UHFFFAOYSA-N","388214",NA,"PDBC25710","682808","Present"
-"5-((Hydrazinocarbothioyl)hydrazono)-7-oxo-7-phenyl-N-(2-phenylethyl)heptanamide","","","","","","","","","","","","","","","","","","","","5-((Hydrazinocarbothioyl)hydrazono)-7-oxo-7-phenyl-N-(2-phenylethyl)heptanamide","","C1=CC=C(C=C1)CCNC(=O)CCCC(=NNC(=S)NN)CC(=O)C2=CC=CC=C2","ZHMHAQFXCNDGIY-LGUFXXKBSA-N","5911047",NA,"PDBC25711","630372","Present"
-"5-((Trityloxy)methyl)tetrahydro-2-furanol","","","","","","","","","","","","","","","","","","","","5-O-Trityl-2,3-dideoxy-D-glyceropentafuranose","","C1CC(OC1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O","QHBUYWDPCOLIBA-UHFFFAOYSA-N","355964",NA,"PDBC25712","610893","Present"
-"5-((p-(Dimethylamino)phenyl)azo)quinoline","","","","","","","","","","","","","","","","","","","","5-[[(4-dimethylamino)phenyl]azo]quinoline","","CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2C=CC=N3","BXRFPVFMVQNKGL-UHFFFAOYSA-N","87103",NA,"PDBC25713","680467","Present"
-"5-(1'-Formyl-2'-hydroxy-3'-naphthoylamino)-2-benzimidazolone","","","","","","","","","","","","","","","","","","","","4-Formyl-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide","","C1=CC=C2C(=C1)C=C(C(=C2C=O)O)C(=O)NC3=CC4=C(C=C3)NC(=O)N4","XIOIVLSJFCJVLX-UHFFFAOYSA-N","143274",NA,"PDBC25714","641051","Present"
-"5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(F)(F)F)(C(F)(F)F)F)CO)O","DNUPNICBYLLDJY-UHFFFAOYSA-N","373113",NA,"PDBC25715","649055","Present"
-"5-(1,1-Dichloromethyl)-3-(4-methylphenyl)-isoxazole","","","","","","","","","","","","","","","","","","","","5-(1,1-dichloromethyl)-3-(4-methylphenyl)-isoxazole","","CC1=CC=C(C=C1)C2=NOC(=C2)C(Cl)Cl","RIOWQGINBCHIBX-UHFFFAOYSA-N","405819",NA,"PDBC25716","723506","Present"
-"5-(1,2-Benzisothiazol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-(1,2-Benzisothiazol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine","","COC1=CC=C(C=C1)NC2=NN=C(S2)C3=NSC4=CC=CC=C43","VOMGKFAJFZVWKH-UHFFFAOYSA-N","374732",NA,"PDBC25717","652924","Present"
-"5-(1,2-Benzothiazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-(1,2-Benzothiazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine","","CCNC1=NN=C(S1)C2=NSC3=CC=CC=C32","BRQSNLIOBWCBLC-UHFFFAOYSA-N","374731",NA,"PDBC25718","652923","Present"
-"5-(1,2-Benzothiazol-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-(1,2-Benzothiazol-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine","","C1=CC=C(C=C1)NC2=NN=C(O2)C3=NSC4=CC=CC=C43","SCEVKGHJKDDONB-UHFFFAOYSA-N","374730",NA,"PDBC25719","652922","Present"
-"5-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-3,4-dichloro-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","5-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-3,4-dichloro-2(5H)-furanone","","COC1=CC=C(C=C1)C(C2C(=C(C(=O)O2)Cl)Cl)C(=O)C3=CC=C(C=C3)OC","HGWIIMXIJIRELK-UHFFFAOYSA-N","366305",NA,"PDBC25720","634656","Present"
-"5-(1,2-Dihydroxyethyl)-6-hydroxytetrahydrofuro[2,3-d][1,3]oxazol-2(3H)-one","","","","","","","","","","","","","","","","","","","","5-(1,2-Dihydroxyethyl)-6-hydroxytetrahydrofuro[2,3-d][1,3]oxazol-2(3H)-one","","C(C(C1C(C2C(O1)NC(=O)O2)O)O)O","CPBONPURCYQKHB-UHFFFAOYSA-N","374239",NA,"PDBC25721","651734","Present"
-"5-(1,2-Dihydroxyethyl)oxolane-2,3,4-trione","","","","","","","","","","","","","","","","","","","","dehydroascorbic acid, l-","","C(C(C1C(=O)C(=O)C(=O)O1)O)O","SBJKKFFYIZUCET-UHFFFAOYSA-N","835",NA,"PDBC25722","141520","Present"
-"5-(1,2-Dimethylindol-3-yl)-3-phenyl-1H-pyridazin-6-one","","","","","","","","","","","","","","","","","","","","4-(1,2-Dimethyl-1H-indol-3-yl)-6-phenylpyridazin-3(2H)-one","","CC1=C(C2=CC=CC=C2N1C)C3=CC(=NNC3=O)C4=CC=CC=C4","YHVYICAJQNMFBG-UHFFFAOYSA-N","362925",NA,"PDBC25723","627401","Present"
-"5-(1,3-Benzodioxol-5-yl)-10-hydroxy-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one","","","","","","","","","","","","","","","","","","","","5-(1,3-Benzodioxol-5-yl)-10-hydroxy-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one","","C1CC(=O)N2C1C(C3=CC4=C(C=C3C2C5=CC6=C(C=C5)OCO6)OCO4)O","JOCDYUMUWHCJQD-UHFFFAOYSA-N","384203",NA,"PDBC25724","673608","Present"
-"5-(1,3-Benzodioxol-5-yl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; 5-(1,3-benzodioxol-5-yl)-8H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one","","","","","","","","","","","","","","","","","","","","3-Hydroxymethyl-6,7-(methylenedioxy)-1-[3,4-(methylenedi...","","C1C2=C(C(=C3C=C4C(=CC3=C2)OCO4)C5=CC6=C(C=C5)OCO6)C(=O)O1.C1C2=C(C=C3C=C4C(=CC3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)O1","ALWPPAPXQHHWJJ-UHFFFAOYSA-N","363126",NA,"PDBC25725","627695","Present"
-"5-(1,3-Benzodioxol-5-yl)-8-methoxy-1,10a-dihydropyrrolo[1,2-b]isoquinoline-3,10(2H,5H)-dione","","","","","","","","","","","","","","","","","","","","5-(1,3-Benzodioxol-5-yl)-8-methoxy-1,10a-dihydropyrrolo[1,2-b]isoquinoline-3,10(2H,5H)-dione","","COC1=CC2=C(C=C1)C(N3C(C2=O)CCC3=O)C4=CC5=C(C=C4)OCO5","ANZVNOLRPPUMRK-UHFFFAOYSA-N","384206",NA,"PDBC25726","673611","Present"
-"5-(1,3-Benzodioxol-5-yl)-9,10-dihydroxy-7,8-dimethoxy-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one","","","","","","","","","","","","","","","","","","","","5-(1,3-Benzodioxol-5-yl)-9,10-dihydroxy-7,8-dimethoxy-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one","","COC1=C(C(=C2C(C3CCC(=O)N3C(C2=C1)C4=CC5=C(C=C4)OCO5)O)O)OC","LBMHTQBMZVLESM-UHFFFAOYSA-N","384204",NA,"PDBC25727","673609","Present"
-"5-(1,3-Benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-(Benzo[d][1,3]dioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,...","","CC1=CC(=C(C=C1)NC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)C","SWIUQBFXLZSMJW-UHFFFAOYSA-N","331715",NA,"PDBC25728","326182","Present"
-"5-(1,3-Benzodioxol-5-yl)isobenzofuro[5,6-f][1,3]benzodioxole-6,8-dione; ethyl acetate","","","","","","","","","","","","","","","","","","","","6,7-Methylenedioxy-1-(3',4'-methylenedioxyphenyl)naphtha...","","CCOC(=O)C.C1OC2=C(O1)C=C(C=C2)C3=C4C=C5C(=CC4=CC6=C3C(=O)OC6=O)OCO5","XTCGANMZSYTMSQ-UHFFFAOYSA-N","363129",NA,"PDBC25729","627696","Present"
-"5-(1,3-Benzodioxol-5-yl)isothiazole-3-thione","","","","","","","","","","","","","","","","","","","","5-(1,3-Benzodioxol-5-yl)isothiazole-3-thione","","C1OC2=C(O1)C=C(C=C2)C3=CC(=S)NS3","QRJQDQCLOCDBTC-UHFFFAOYSA-N","3004965",NA,"PDBC25730","665735","Present"
-"5-(1,3-Benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-6-phenyl-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","5-(1,3-Benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-6-phenyl-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-4-carboxamide","","CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=S)NC(C2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5","SPWXIQKUXMNZHY-UHFFFAOYSA-N","3004026",NA,"PDBC25731","623039","Present"
-"5-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-4-((hydrazino(oxo)acetyl)hydrazono)pentanamide","","","","","","","","","","","","","","","","","","","","5-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-4-((hydrazino(oxo)acetyl)hydrazono)pentanamide","","C1=CC=C2C(=C1)N=C(S2)CC(=NNC(=O)C(=O)NN)CCC(=O)NC3=CC=C(C=C3)Cl","JJVCUBLXFVLAPB-VULFUBBASA-N","9555802",NA,"PDBC25732","630365","Present"
-"5-(1,3-Benzothiazol-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-(1,3-Benzothiazol-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile","","C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)NC5=NC6=CC=CC=C6S5","DXDHUGSNNBJGAM-UHFFFAOYSA-N","392515",NA,"PDBC25733","693032","Present"
-"5-(1,3-Benzoxazol-2-yl)-N-(3,4-dichlorophenyl)-4-oxopentanamide","","","","","","","","","","","","","","","","","","","","5-(1,3-Benzoxazol-2-yl)-N-(3,4-dichlorophenyl)-4-oxopentanamide","","C1=CC=C2C(=C1)N=C(O2)CC(=O)CCC(=O)NC3=CC(=C(C=C3)Cl)Cl","SFMCUIJTFWRWCQ-UHFFFAOYSA-N","364322",NA,"PDBC25734","630338","Present"
-"5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,10-dimethyl-8-methylsulfanyl-4-phenyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one","","","","","","","","","","","","","","","","","","","","5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,10-dimethyl-8-methylsulfanyl-4-phenyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one","","CC1CC(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C4=CC=CC=C4)C)SC","CTLBQYQHXIFCLR-UHFFFAOYSA-N","24205325",NA,"PDBC25735","735042","Present"
-"5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,4,10-trimethyl-8-methylsulfanyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one","","","","","","","","","","","","","","","","","","","","5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,4,10-trimethyl-8-methylsulfanyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one","","CC1CC(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C)C)SC","SKEXALPDIHSTOG-UHFFFAOYSA-N","24205326",NA,"PDBC25736","735043","Present"
-"5-(1,3-Dioxan-2-yl)-1,2,3-benzenetriol","","","","","","","","","","","","","","","","","","","","5-(1,3-Dioxan-2-yl)-1,2,3-benzenetriol","","C1COC(OC1)C2=CC(=C(C(=C2)O)O)O","FSLARYUEPYDFBP-UHFFFAOYSA-N","372298",NA,"PDBC25737","647357","Present"
-"5-(1,3-Dithian-2-yl)-6-iodo-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-(1,3-Dithian-2-yl)-6-iodo-1,3-benzodioxole","","C1CSC(SC1)C2=CC3=C(C=C2I)OCO3","DWDQPRSTYAEEQC-UHFFFAOYSA-N","372295",NA,"PDBC25738","647354","Present"
-"5-(1,4-Benzoquinonyl)-3-(4-chlorophenyl)-1-phenylpyrazole","","","","","","","","","","","","","","","","","","","","2-[5-(4-Chlorophenyl)-2-phenylpyrazol-3-yl]cyclohexa-2,5-diene-1,4-dione","","C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC(=O)C=CC4=O","FJCHXZKOVMDORK-UHFFFAOYSA-N","24204412",NA,"PDBC25739","731747","Present"
-"5-(1-(2-Furyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","5-(1-(2-Furyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone","","C1=CC=C(C=C1)CC(C2C(=O)NC(=S)N2)C3=CC=CO3","GTSZNJCTZLYPHD-UHFFFAOYSA-N","3005234",NA,"PDBC25740","684389","Present"
-"5-(1-(4-(Dimethylamino)phenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","5-(1-(4-(Dimethylamino)phenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone","","CN(C)C1=CC=C(C=C1)C(CC2=CC=CC=C2)C3C(=O)NC(=S)N3","QYIJHYMUTGAMGF-UHFFFAOYSA-N","3005233",NA,"PDBC25741","684388","Present"
-"5-(1-(4-Ethoxyphenyl)ethyl)-6-methoxy-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","1,3-Benzodioxole, 5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-","","CCOC1=CC=C(C=C1)C(C)C2=CC3=C(C=C2OC)OCO3","HEPVVPUNSAKITO-UHFFFAOYSA-N","337030",NA,"PDBC25742","353648","Present"
-"5-(1-(4-Methoxyphenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","5-(1-(4-Methoxyphenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone","","COC1=CC=C(C=C1)C(CC2=CC=CC=C2)C3C(=O)NC(=S)N3","IWXWJOMNNDVWMS-UHFFFAOYSA-N","3005231",NA,"PDBC25743","684386","Present"
-"5-(1-(4-Methoxyphenyl)propyl)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","5-(1-(4-Methoxyphenyl)propyl)-2-thioxo-4-imidazolidinone","","CCC(C1C(=O)NC(=S)N1)C2=CC=C(C=C2)OC","TWIPZXCPRZBRFP-UHFFFAOYSA-N","3005230",NA,"PDBC25744","684385","Present"
-"5-(1-(5-(1-(5-Formyl-2-furyl)-1-methylethyl)-2-furyl)-1-methylethyl)-2-furaldehyde","","","","","","","","","","","","","","","","","","","","5-(1-(5-(1-(5-Formyl-2-furyl)-1-methylethyl)-2-furyl)-1-methylethyl)-2-furaldehyde","","CC(C)(C1=CC=C(O1)C=O)C2=CC=C(O2)C(C)(C)C3=CC=C(O3)C=O","PDHONJAMSMZDIB-UHFFFAOYSA-N","361833",NA,"PDBC25745","625149","Present"
-"5-(1-Adamantyl)-2-(2-chlorophenyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","5-(1-Adamantyl)-2-(2-chlorophenyl)-1H-benzimidazole","","C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6Cl","FZJWQYMWEVJTFT-UHFFFAOYSA-N","394402",NA,"PDBC25746","697861","Present"
-"5-(1-Adamantyl)-2-(4-chlorophenyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","5-(1-Adamantyl)-2-(4-chlorophenyl)-1H-benzimidazole","","C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)Cl","QXFPTCDQUPDGJJ-UHFFFAOYSA-N","394403",NA,"PDBC25747","697862","Present"
-"5-(1-Adamantyl)-2-benzyloxy-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","5-(1-Adamantyl)-2-benzyloxy-1H-benzimidazole","","C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)OCC6=CC=CC=C6","HGOSHFAUMBCDIS-UHFFFAOYSA-N","394400",NA,"PDBC25748","697859","Present"
-"5-(1-Azido-2,2-dibromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(1-Azido-2,2-dibromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(Br)Br)N=[N+]=[N-])CO)O","ZDTHJCBYWMUMPA-UHFFFAOYSA-N","374120",NA,"PDBC25749","651427","Present"
-"5-(1-Azido-2,2-diiodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(1-Azido-2,2-diiodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(I)I)N=[N+]=[N-])CO)O","YNXCCBOIZIMKBZ-UHFFFAOYSA-N","374122",NA,"PDBC25750","651429","Present"
-"5-(1-Azido-2-bromo-2-chloroethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(1-Azido-2-bromo-2-chloroethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(Cl)Br)N=[N+]=[N-])CO)O","OICPZMOAZDBOLS-UHFFFAOYSA-N","374121",NA,"PDBC25751","651428","Present"
-"5-(1-Azido-2-bromo-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(1-Azido-2-bromo-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(Br)I)N=[N+]=[N-])CO)O","BSHDUPPRNKBILB-UHFFFAOYSA-N","374119",NA,"PDBC25752","651426","Present"
-"5-(1-Azido-2-bromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(1-Azido-2-bromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(CBr)N=[N+]=[N-])CO)O","MFDQNNLJVBCWOC-UHFFFAOYSA-N","374114",NA,"PDBC25753","651422","Present"
-"5-(1-Azido-2-chloro-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(1-Azido-2-chloro-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(Cl)I)N=[N+]=[N-])CO)O","NEMBLEBEGMGMST-UHFFFAOYSA-N","376366",NA,"PDBC25754","657268","Present"
-"5-(1-Azido-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(1-Azido-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(CI)N=[N+]=[N-])CO)O","PVPPTIPJUGDMDY-UHFFFAOYSA-N","374116",NA,"PDBC25755","651424","Present"
-"5-(1-Azidoethenyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(1-Azidoethenyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C=C(C1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-]","JJENJWOMXGJIOD-UHFFFAOYSA-N","3800000",NA,"PDBC25756","651425","Present"
-"5-(1-Benzylsulfanyl-2-nitro-ethyl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-[1-(Benzylsulfanyl)-2-nitroethyl]-1,3-benzodioxole","","C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCC3=CC=CC=C3","SEQGYDSVNJWFHM-UHFFFAOYSA-N","379577",NA,"PDBC25757","664266","Present"
-"5-(1-Bromo-2-methoxyvinyl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-(1-Bromo-2-methoxyvinyl)-1,3-benzodioxole","","COC=C(C1=CC2=C(C=C1)OCO2)Br","VKEIFEPEERUBQT-YVMONPNESA-N","3003992",NA,"PDBC25758","617647","Present"
-"5-(1-Chloro-2-phenylvinyl)-6-(hydroxy(oxido)amino)-2-phenyl-1H-indol-3-yl acetate","","","","","","","","","","","","","","","","","","","","5-(1-Chloro-2-phenylvinyl)-6-(hydroxy(oxido)amino)-2-phenyl-1H-indol-3-yl acetate","","CC(=O)OC1=C(NC2=CC(=C(C=C21)C(=CC3=CC=CC=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4","FHXDZLTVLKUBSO-NDENLUEZSA-N","5814149",NA,"PDBC25759","636508","Present"
-"5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole","","CC(=CC1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2)OCO3","FLGKKJLARNSJNB-KPKJPENVSA-N","5351406",NA,"PDBC25760","648422","Present"
-"5-(1-Piperidinyl)-3H-1,2,4-dithiazole-3-thione","","","","","","","","","","","","","","","","","","","","5-(1-Piperidinyl)-3H-1,2,4-dithiazole-3-thione","","C1CCN(CC1)C2=NC(=S)SS2","NLBWZAQXNUOUOW-UHFFFAOYSA-N","360516",NA,"PDBC25761","622652","Present"
-"5-(13,24,25-Trihydroxy-1-methoxy-5,9,23-trimethyl-2,20,22-trioxahexacyclo[19.3.1.03,19.05,17.06,14.09,13]pentacos-17-en-10-yl)pyran-2-one","","","","","","","","","","","","","","","","","","","","5-(13,24,25-Trihydroxy-1-methoxy-5,9,23-trimethyl-2,20,22-trioxahexacyclo[19.3.1.03,19.05,17.06,14.09,13]pentacos-17-en-10-yl)pyran-2-one","","CC1C(C2(C(C(O1)OC3C=C4CCC5C(C4(CC3O2)C)CCC6(C5(CCC6C7=COC(=O)C=C7)O)C)O)OC)O","MPNWICWZBYJUOX-UHFFFAOYSA-N","401678",NA,"PDBC25762","715408","Present"
-"5-(13-(3-Furyl)-2,6,10-trimethyl-6,8-tridecadienylidene)-4-hydroxy-3-methyl-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","5-(13-(3-Furyl)-2,6,10-trimethyl-6,8-tridecadienylidene)-4-hydroxy-3-methyl-2(5H)-furanone","","CC1=C(C(=CC(C)CCCC(=CC=CC(C)CCCC2=COC=C2)C)OC1=O)O","HSRYYQFDLALWMZ-NGBZOJJOSA-N","54679364",NA,"PDBC25763","625519","Present"
-"5-(1H-Benzimidazol-2-yl)-4-[(E)-benzylideneamino]-3-phenyl-thiazol-2-one","","","","","","","","","","","","","","","","","","","","5-(1H-Benzimidazol-2-yl)-4-[(E)-benzylideneamino]-3-phenyl-thiazol-2-one","","C1=CC=C(C=C1)C=NC2=C(SC(=O)N2C3=CC=CC=C3)C4=NC5=CC=CC=C5N4","BEMABGSRTGXYOF-BUVRLJJBSA-N","9555816",NA,"PDBC25764","633190","Present"
-"5-(1H-Indol-3-yl)-3-methoxypyrazin-2-amine","","","","","","","","","","","","","","","","","","","","5-(1H-Indol-3-yl)-3-methoxypyrazin-2-amine","","COC1=NC(=CN=C1N)C2=CNC3=CC=CC=C32","AKALEHWIDXYJAD-UHFFFAOYSA-N","400421",NA,"PDBC25765","712000","Present"
-"5-(1H-Indol-3-ylmethylene)-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one","","","","","","","","","","","","","","","","","","","","5-(1H-Indol-3-ylmethylene)-2-morpholin-4-yl-thiazol-4-one","","C1COCCN1C2=NC(=C(S2)C=C3C=NC4=CC=CC=C43)O","HHIJYVVJFOFKCD-PKNBQFBNSA-N","135432751",NA,"PDBC25766","735177","Present"
-"5-(1H-Indol-5-ylmethyl)-1H-indole","","","","","","","","","","","","","","","","","","","","bis(5-indolyl)methane","","C1=CC2=C(C=CN2)C=C1CC3=CC4=C(C=C3)NC=C4","LCLLKZHSCXZJDQ-UHFFFAOYSA-N","389556",NA,"PDBC25767","685861","Present"
-"5-(2'-Chloro[1,1'-biphenyl]-4-yl)-5-hydroxy-3-methyl-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","5-(2'-Chloro[1,1'-biphenyl]-4-yl)-5-hydroxy-3-methyl-2(5H)-furanone","","CC1=CC(OC1=O)(C2=CC=C(C=C2)C3=CC=CC=C3Cl)O","FSAOEXNRJZJMPP-UHFFFAOYSA-N","361926",NA,"PDBC25768","625400","Present"
-"5-(2'-Chloroethyl)aminouracil","","","","","","","","","","","","","","","","","","","","FCH840693","","C1=C(C(=O)NC(=O)N1)NCCCl","WEGIIMNVVVHGKX-UHFFFAOYSA-N","236633",NA,"PDBC25769","39277","Present"
-"5-(2,2,3,3,4,4,5,5-Octafluoropentoxymethyl)-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-{[(2,2,3,3,4,4,5,5-Octafluoropentyl)oxy]methyl}pyrimidine-2,4(1H,3H)-dione","","C1=C(C(=O)NC(=O)N1)COCC(C(C(C(F)F)(F)F)(F)F)(F)F","UQJFGWLQJKAQTM-UHFFFAOYSA-N","373196",NA,"PDBC25770","649163","Present"
-"5-(2,2-Diacetylvinyl)-1,3-dimethyluracil","","","","","","","","","","","","","","","","","","","","5-(2,2-Diacetylvinyl)-1,3-dimethyluracil","","CC(=O)C(=CC1=CN(C(=O)N(C1=O)C)C)C(=O)C","YHCFAKPDEBMDIZ-UHFFFAOYSA-N","337115",NA,"PDBC25771","353882","Present"
-"5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-olate;ethanolate;1-phenylbutane-1,3-dione;titanium(4+)","","","","","","","","","","","","","","","","","","","","Ethoxy(1,2:5,6-di-O-isopropylidene-3-olato-.alpha.-D- gl...","","CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)[O-])C.[Ti+4]","SDRJFUQLCWRXLM-UHFFFAOYSA-N","368334",NA,"PDBC25772","639099","Present"
-"5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole","","","","","","","","","","","","","","","","","","","","5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-6-propenyloxy-tetrahydro-furo[2,3-d][1,3]dioxole","","CC=COC1C(OC2C1OC(O2)(C)C)C3COC(O3)(C)C","RSCYQPRGEVQBEZ-VOTSOKGWSA-N","6392479",NA,"PDBC25773","670541","Present"
-"5-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide","","CC1(OC(=O)C(=C2CCC(N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O1)C","JCXGLRZMQLDQNS-UHFFFAOYSA-N","366815",NA,"PDBC25774","635587","Present"
-"5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-6-phenyl-tetrahydro-furo[2,3-d][1,3]dioxole","","","","","","","","","","","","","","","","","","","","5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-6-phenyl-tetrahydro-furo[2,3-d][1,3]dioxole","","CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)C4=CC=CC=C4)C","UJSIRMJMPVXSDV-UHFFFAOYSA-N","383338",NA,"PDBC25775","671452","Present"
-"5-(2,3-Bis(4-methoxyphenyl)-3-oxopropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","","","","","","","","","","","","","","","","","","","","5-(2,3-Bis(4-methoxyphenyl)-3-oxopropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","","COC1=CC=C(C=C1)C(CC2C(=O)NC(=O)NC2=O)C(=O)C3=CC=C(C=C3)OC","NSAFTZIBCBPRTA-UHFFFAOYSA-N","372149",NA,"PDBC25776","647103","Present"
-"5-(2,3-Dihydroxypropoxymethyl)-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-[(2,3-Dihydroxypropoxy)methyl]pyrimidine-2,4(1H,3H)-dione","","C1=C(C(=O)NC(=O)N1)COCC(CO)O","FOWIRBAZMZQDIG-UHFFFAOYSA-N","373124",NA,"PDBC25777","649066","Present"
-"5-(2,3-Dimethoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-ol","","","","","","","","","","","","","","","","","","","","1-(2,3-Dimethoxyphenyl)-4-methyl-4-azabicyclo[3.3.1]nonan-7-ol","","CN1CCC2(CC1CC(C2)O)C3=C(C(=CC=C3)OC)OC","ZBYQTHSAVDOACD-UHFFFAOYSA-N","398121",NA,"PDBC25778","707487","Present"
-"5-(2,4,6,8,10,13-Hexathiatricyclo[7.4.0.03,7]trideca-1(9),3(7)-dien-5-ylidene)-2,4,6,8,10,13-hexathiatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene","","","","","","","","","","","","","","","","","","","","5-(2,4,6,8,10,13-Hexathiatricyclo[7.4.0.03,7]trideca-1(9),3(7)-dien-5-ylidene)-2,4,6,8,10,13-hexathiatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene","","C1CSC2=C(S1)SC3=C(S2)SC(=C4SC5=C(S4)SC6=C(S5)SCCS6)S3","IPPJORCEGIXTSZ-UHFFFAOYSA-N","391120",NA,"PDBC25779","689738","Present"
-"5-(2,4-Cyclohexadien-1-yl)-5-hydroxy-1-methyl-2-pyrrolidinone","","","","","","","","","","","","","","","","","","","","5-(2,4-Cyclohexadien-1-yl)-5-hydroxy-1-methyl-2-pyrrolidinone","","CN1C(=O)CCC1(C2CC=CC=C2)O","IHAXSYUOUCADJF-UHFFFAOYSA-N","371724",NA,"PDBC25780","646173","Present"
-"5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazole","","","","","","","","","","","","","","","","","","","","5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)isoxazole","","COC1=C(C=C(C=C1)C2=NOC(=C2)C3=CC(=C(C=C3Cl)Cl)F)OC","ZKXBBZOZJMSBOR-UHFFFAOYSA-N","402002",NA,"PDBC25781","715691","Present"
-"5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole","","","","","","","","","","","","","","","","","","","","5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole","","COC1=C(C=C(C=C1)C2=NNC(=C2)C3=CC(=C(C=C3Cl)Cl)F)OC","UKCMKBGZPFDRIA-UHFFFAOYSA-N","402000",NA,"PDBC25782","715689","Present"
-"5-(2,4-Dichloro-5-fluorophenyl)-3-phenyl-1H-pyrazole","","","","","","","","","","","","","","","","","","","","5-(2,4-Dichloro-5-fluorophenyl)-3-phenyl-1H-pyrazole","","C1=CC=C(C=C1)C2=NNC(=C2)C3=CC(=C(C=C3Cl)Cl)F","CXBOFRUFCSVWMB-UHFFFAOYSA-N","401999",NA,"PDBC25783","715688","Present"
-"5-(2,4-Dichloro-5-fluorophenyl)-3-phenylisoxazole","","","","","","","","","","","","","","","","","","","","5-(2,4-Dichloro-5-fluorophenyl)-3-phenylisoxazole","","C1=CC=C(C=C1)C2=NOC(=C2)C3=CC(=C(C=C3Cl)Cl)F","DXMLXNFZLQHYHJ-UHFFFAOYSA-N","402007",NA,"PDBC25784","715696","Present"
-"5-(2,4-Dichlorophenyl)-2-(3-nitrophenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","5-(2,4-Dichlorophenyl)-2-(3-nitrophenyl)-1H-imidazole","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=C(N2)C3=C(C=C(C=C3)Cl)Cl","MIZLBPXRDLLWGP-UHFFFAOYSA-N","45029219",NA,"PDBC25785","745618","Present"
-"5-(2,4-Dichlorophenyl)-5H-imidazo[2,1-a]isoindole","","","","","","","","","","","","","","","","","","","","5H-Imidazo[2,1-a]isoindole, 5-(2,4-dichlorophenyl)-","","C1=CC=C2C(=C1)C(N3C2=NC=C3)C4=C(C=C(C=C4)Cl)Cl","MTRDZTOQPONGGS-UHFFFAOYSA-N","12908673",NA,"PDBC25786","742550","Present"
-"5-(2,4-Diethyl-6-((6-methyl-1,3-benzothiazol-2-yl)amino)-3,5-dioxo-6-heptenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","","","","","","","","","","","","","","","","","","","","5-[2,4-Diethyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3,5-dioxohept-6-enyl]-1,3-diazinane-2,4,6-trione","","CCC(CC1C(=O)NC(=O)NC1=O)C(=O)C(CC)C(=O)C(=C)NC2=NC3=C(S2)C=C(C=C3)C","JKAPMYLROVCVBF-UHFFFAOYSA-N","373478",NA,"PDBC25787","649833","Present"
-"5-(2,4-Dimethoxy-5-pyrimidinyl)-1-penten-4-yn-3-ol","","","","","","","","","","","","","","","","","","","","5-(2,4-Dimethoxy-5-pyrimidinyl)-1-penten-4-yn-3-ol","","COC1=NC(=NC=C1C#CC(C=C)O)OC","DZBXBBJATGTWHR-UHFFFAOYSA-N","387187",NA,"PDBC25788","680727","Present"
-"5-(2,4-Dimethoxy-5-pyrimidinyl)-1-penten-4-yn-3-one","","","","","","","","","","","","","","","","","","","","1-Penten-4-yn-3-one, 5-(2,4-dimethoxypyrimidin-5-yl)-","","COC1=NC(=NC=C1C#CC(=O)C=C)OC","MPVPQMUPIYEGQL-UHFFFAOYSA-N","387188",NA,"PDBC25789","680728","Present"
-"5-(2,4-Dioxopyrimidin-1-yl)pentanoic acid","","","","","","","","","","","","","","","","","","","","5-(2,4-Dioxopyrimidin-1-yl)pentanoic acid","","C1=CN(C(=O)NC1=O)CCCCC(=O)O","DWWSFKHIIGUHSM-UHFFFAOYSA-N","256688",NA,"PDBC25790","83960","Present"
-"5-(2,5-Dihydroxyphenyl)-1,3-diphenylpyrazole","","","","","","","","","","","","","","","","","","","","2-(2,5-Diphenylpyrazol-3-yl)benzene-1,4-diol","","C1=CC=C(C=C1)C2=NN(C(=C2)C3=C(C=CC(=C3)O)O)C4=CC=CC=C4","SFVJVESRMFNPEG-UHFFFAOYSA-N","135585506",NA,"PDBC25791","731809","Present"
-"5-(2,5-Dimethoxy-phenylethynyl)-N-[2-(4-fluoro-phenyl)-ethyl]-2-methoxy-benzamide","","","","","","","","","","","","","","","","","","","","5-[2-(2,5-Dimethoxyphenyl)ethynyl]-2-methoxyphenyl-N- [2...","","COC1=CC(=C(C=C1)OC)C#CC2=CC(=C(C=C2)OC)C(=O)NCCC3=CC=C(C=C3)F","CUCVNURZABUGNU-UHFFFAOYSA-N","403660",NA,"PDBC25792","718728","Present"
-"5-(2,5-Dimethoxy-phenylethynyl)-N-hexyl-2-methoxy-benzamide","","","","","","","","","","","","","","","","","","","","5-[2-(2,5-Dimethoxyphenyl)ethynyl]-2-methoxyphenyl-N-hex...","","CCCCCCNC(=O)C1=C(C=CC(=C1)C#CC2=C(C=CC(=C2)OC)OC)OC","DXQMNKPAGXVWAH-UHFFFAOYSA-N","403659",NA,"PDBC25793","718727","Present"
-"5-(2,5-Dimethoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonane","","","","","","","","","","","","","","","","","","","","1-(2,5-Dimethoxyphenyl)-4-methyl-4-azabicyclo[3.3.1]nonane","","CN1CCC2(CCCC1C2)C3=C(C=CC(=C3)OC)OC","PMALGPVDOFUZCE-UHFFFAOYSA-N","398852",NA,"PDBC25794","709004","Present"
-"5-(2,5-Ditert-butylphenyl)-3-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione","","","","","","","","","","","","","","","","","","","","5-(2,5-Di-tert-butylphenyl)-3-(4-nitrophenyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione","","CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)[N+](=O)[O-]","FHGZDMHXJUYMNN-UHFFFAOYSA-N","401158",NA,"PDBC25795","714126","Present"
-"5-(2,5-dihydroxybenzylamino)-N-butyl-2-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","5-(2,5-dihydroxybenzylamino)-N-butyl-2-hydroxybenzamide","","CCCCNC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)O)O)O","YKPQHYRJQNJFCP-UHFFFAOYSA-N","155815558",NA,"PDBC25796","798524","Present"
-"5-(2,6-Bis((cyanoacetyl)hydrazono)cyclohexyl)-N-(2,6-dimethylphenyl)-5-oxopentanamide","","","","","","","","","","","","","","","","","","","","5-(2,6-Bis((cyanoacetyl)hydrazono)cyclohexyl)-N-(2,6-dimethylphenyl)-5-oxopentanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C2C(=NNC(=O)CC#N)CCCC2=NNC(=O)CC#N","SPVDQSRMLAUIMX-ZZASANORSA-N","9569940",NA,"PDBC25797","625905","Present"
-"5-(2,6-Trimethylphenyl)-2-N-(4-chlorophenyl)sulfonylimino-1,3,4-dioxazole","","","","","","","","","","","","","","","","","","","","5-(2,4,6-Trimethylphenyl)-2-N-(4-chlorophenyl)sulfonylim...","","CC1=CC(=C(C(=C1)C)C2=NOC(=NS(=O)(=O)C3=CC=C(C=C3)Cl)O2)C","QKGVTQZYBJUROA-JZJYNLBNSA-N","6300503",NA,"PDBC25798","664237","Present"
-"5-(2-((5-((2-((5-Hydroxypentyl)oxy)ethoxy)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)ethoxy)-1-pentanol","","","","","","","","","","","","","","","","","","","","5-(2-((5-((2-((5-Hydroxypentyl)oxy)ethoxy)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)ethoxy)-1-pentanol","","CC1(OC(C(O1)COCCOCCCCCO)COCCOCCCCCO)C","UQEOWJUGWFWUHU-UHFFFAOYSA-N","362088",NA,"PDBC25799","625611","Present"
-"5-(2-(3,4-Dichlorophenyl)vinyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","5-(2-(3,4-Dichlorophenyl)vinyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione","","C1=CC(=C(C=C1C=CC2=NC(=S)NN2)Cl)Cl","PKUYZOUOVQFRAP-DUXPYHPUSA-N","5388283",NA,"PDBC25800","634496","Present"
-"5-(2-(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-dithian-2-yl)-2-methoxyphenol","","","","","","","","","","","","","","","","","","","","5-(2-(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-dithian-2-yl)-2-methoxyphenol","","CN1CCC2=CC(=C(C=C2C1C3(SCCCS3)C4=CC(=C(C=C4)OC)O)OC)OC","QYICIXLISYZRKO-UHFFFAOYSA-N","388279",NA,"PDBC25801","682920","Present"
-"5-(2-(Benzyloxy)-2-methylpropyl)-5-methyl-2,4-imidazolidinedione","","","","","","","","","","","","","","","","","","","","5-[2-(Benzyloxy)-2-methylpropyl]-5-methylimidazolidine-2,4-dione","","CC1(C(=O)NC(=O)N1)CC(C)(C)OCC2=CC=CC=C2","BQZHIDOEJWGMOX-UHFFFAOYSA-N","239211",NA,"PDBC25802","44102","Present"
-"5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxamide","","CCN(CC)C(=O)CC1=C(C(=O)NN1)C(=O)N(CC)CC","NJPDYDRNQOFFTM-UHFFFAOYSA-N","375436",NA,"PDBC25803","655159","Present"
-"5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide","","","","","","","","","","","","","","","","","","","","5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide","","CCN(CC)C(=O)CC1=C(C(=O)N=C2N1C=CS2)C(=O)N(CC)CC","YLDAWHFBNYSRQO-UHFFFAOYSA-N","375437",NA,"PDBC25804","655160","Present"
-"5-(2-(Diethylamino)ethylamino)-8-hydroxy-6H-(1,2,3)triazolo(4,5-1-de)acridin-6-one","","","","","","","","","","","","","","","","","","","","5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-[1,2,3]tria...","","CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O","OMSFZBMJHQNEQZ-UHFFFAOYSA-N","124496",NA,"PDBC25805","645827","Present"
-"5-(2-(Dimethylamino)ethyl)-2,3,9-trimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione","","","","","","","","","","","","","","","","","","","","5-(2-(dimethylamino)ethyl)-2,3,9-trimethoxy-5H-indeno[1,...","","CN(C)CCOC1=NC2=CC(=C(C=C2C3=C1C4=C(C3=O)C=C(C=C4)OC)OC)OC","NVPBUUVWQREGKX-UHFFFAOYSA-N","54673459",NA,"PDBC25806","754239","Present"
-"5-(2-(Dimethylamino)ethyl)-2,8-dimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione","","","","","","","","","","","","","","","","","","","","5-(2-(dimethylamino)ethyl)-2,8-dimethoxy-5H-indeno[1,2-c...","","CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C(C1=O)C4=C(C3=O)C=CC(=C4)OC","PAHNDAPGNCVOAR-UHFFFAOYSA-N","54673147",NA,"PDBC25807","754245","Present"
-"5-(2-(Methylsulfonyl)ethyl)dihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","5-(2-(Methylsulfonyl)ethyl)dihydro-2(3H)-furanone","","CS(=O)(=O)CCC1CCC(=O)O1","JFRLEINDXGJNJV-UHFFFAOYSA-N","386106",NA,"PDBC25808","677738","Present"
-"5-(2-Aminoethyl)-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione","","","","","","","","","","","","","","","","","","","","5-(2-Aminoethyl)-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione","","CC(C)CCC1(C(=O)NC(=O)NC1=O)CCN","QITQHIYPIHVKLD-UHFFFAOYSA-N","257293",NA,"PDBC25809","85260","Present"
-"5-(2-Aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-(2-Aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine","","CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)C3=CC=CC=C3N","YNZJNMUULMRBBL-UHFFFAOYSA-N","402292",NA,"PDBC25810","716183","Present"
-"5-(2-Anilino-6-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","5-(2-Anilino-6-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol","","C1C(C(OC1N2C=NC3=C2N=C(N=C3Cl)NC4=CC=CC=C4)CO)O","QQKAMIXYEHKSKX-UHFFFAOYSA-N","388061",NA,"PDBC25811","682522","Present"
-"5-(2-Azidoacetyl)-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(2-Azidoacetyl)-1H-pyrimidine-2,4-dione","","C1=C(C(=O)NC(=O)N1)C(=O)CN=[N+]=[N-]","QWGHGQJMUGAQJR-UHFFFAOYSA-N","3246134",NA,"PDBC25812","36878","Present"
-"5-(2-Bromo-4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","5-(2-bromo-4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-5H-t...","","COC1=CC(=C(C=C1)C2C=C(N=C3N2C=CS3)C4=CC(=C(C=C4)OC)OC)Br","DEICCPLCPYFPPX-UHFFFAOYSA-N","155809858",NA,"PDBC25813","765955","Present"
-"5-(2-Bromo-4-methoxyphenyl)-7-(4-chlorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","5-(2-bromo-4-methoxyphenyl)-7-(4-chlorophenyl)-3-methyl-...","","CC1=CSC2=NC(=CC(N12)C3=C(C=C(C=C3)OC)Br)C4=CC=C(C=C4)Cl","JKPPOJVNEGXREJ-UHFFFAOYSA-N","155810090",NA,"PDBC25814","766172","Present"
-"5-(2-Bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","5-(2-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-5H-thiaz...","","COC1=CC=C(C=C1)C2=CC(N3C=CSC3=N2)C4=C(C=C(C=C4)OC)Br","SXHQRXJRRZRUAR-UHFFFAOYSA-N","155808080",NA,"PDBC25815","765954","Present"
-"5-(2-Bromo-5-methoxyphenyl)pentanoic acid","","","","","","","","","","","","","","","","","","","","5-(2-Bromo-5-methoxyphenyl)pentanoic acid","","COC1=CC(=C(C=C1)Br)CCCCC(=O)O","ISBGKQVMDQZSCM-UHFFFAOYSA-N","361588",NA,"PDBC25816","624769","Present"
-"5-(2-Bromophenyl)-13-nitro-4-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,11,13-tetraene","","","","","","","","","","","","","","","","","","","","5-(2-Bromophenyl)-13-nitro-4-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,11,13-tetraene","","C1CC2C(N(N=C2C3=C(C1)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5Br","XJCLRQALYIQTDK-UHFFFAOYSA-N","403244",NA,"PDBC25817","717903","Present"
-"5-(2-Bromophenyl)-7,7-bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(2-Bromophenyl)-7,7-bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=CC=C3Br)C(=O)N(C1=O)C","ZGDYQDGKMDEEJF-UHFFFAOYSA-N","395444",NA,"PDBC25818","699989","Present"
-"5-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)-4-indanecarboxylic acid","","","","","","","","","","","","","","","","","","","","5-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)-4-indanecarboxylic acid","","C1CC2=C(C1)C=C(C=C2)CC(CC3=C(C4=C(CCC4)C=C3)C(=O)O)C(=O)O","GGQQTWKCZLHUPJ-UHFFFAOYSA-N","385636",NA,"PDBC25819","676983","Present"
-"5-(2-Carboxy-3-phenylpropyl)-4-indanecarboxylic acid","","","","","","","","","","","","","","","","","","","","5-(2-Carboxy-3-phenylpropyl)-4-indanecarboxylic acid","","C1CC2=C(C1)C(=C(C=C2)CC(CC3=CC=CC=C3)C(=O)O)C(=O)O","KXCRPZPXYNKGOM-UHFFFAOYSA-N","385635",NA,"PDBC25820","676982","Present"
-"5-(2-Chlorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","5-(2-Chlorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one","","C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)OC(=O)N3CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl","BEXZXBQWGVYTEL-UHFFFAOYSA-N","384675",NA,"PDBC25821","674720","Present"
-"5-(2-Chloroethyl)-3-methylene-5-phenyldihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","5-(2-Chloroethyl)-3-methylene-5-phenyldihydro-2(3H)-furanone","","C=C1CC(OC1=O)(CCCl)C2=CC=CC=C2","AULAOEYNINYZJN-UHFFFAOYSA-N","367802",NA,"PDBC25822","637826","Present"
-"5-(2-Chlorophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 5-(2-chlorophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate","","CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(C=N2)C4=CC=CC=C4Cl","CNQNWKZPQLTWQK-UHFFFAOYSA-N","390763",NA,"PDBC25823","688526","Present"
-"5-(2-Chlorophenyl)-N-(4-chlorophenyl)-5-cyano-4-oxopentanamide","","","","","","","","","","","","","","","","","","","","5-(2-Chlorophenyl)-N-(4-chlorophenyl)-5-cyano-4-oxopentanamide","","C1=CC=C(C(=C1)C(C#N)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl)Cl","WZNPRFHMJYYJSB-UHFFFAOYSA-N","364305",NA,"PDBC25824","630323","Present"
-"5-(2-Cyanoethyl)-1,1-dimethyldecahydro-7bH-cyclopropa[a]naphthalene-7b-carbonitrile","","","","","","","","","","","","","","","","","","","","5-(2-Cyanoethyl)-1,1-dimethyldecahydro-7bH-cyclopropa[a]naphthalene-7b-carbonitrile","","CC1(C2C1(C3CCC(CC3CC2)CCC#N)C#N)C","CTCLHILTZWHHQS-UHFFFAOYSA-N","379594",NA,"PDBC25825","664287","Present"
-"5-(2-Dimethylamino-ethylamino)-1,2,10b-triaza-aceanthrylen-6-one","","","","","","","","","","","","","","","","","","","","10-[2-(Dimethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=CC=CC=C4C2=O","VCUAYSCBVGFEMN-UHFFFAOYSA-N","438560",NA,"PDBC25826","645820","Present"
-"5-(2-Dimethylamino-ethylamino)-8-methoxy-1,2,10b-triaza-aceanthrylen-6-one","","","","","","","","","","","","","","","","","","","","10-[2-(Dimethylamino)ethylamino]-5-methoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC","OACIUUCGBQKLLG-UHFFFAOYSA-N","438565",NA,"PDBC25827","645825","Present"
-"5-(2-Fluoroethoxy)benzimidazolo[1,2-a]quinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-(2-Fluoroethoxy)benzimidazolo[1,2-a]quinoline-6-carbonitrile","","C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)OCCF","IHNQBYQGGNYXNV-UHFFFAOYSA-N","392512",NA,"PDBC25828","693029","Present"
-"5-(2-Fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","F2185-0720","","CN1C(CC(C1=O)O)C2=CC=CC=C2F","SYUNFYOECZBNKM-UHFFFAOYSA-N","389891",NA,"PDBC25829","686527","Present"
-"5-(2-Fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","5-(2-Fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one","","CN1C(=O)CN=C(C2=C1C=CC(=C2)N=C=S)C3=CC=CC=C3F","PQIJBZIUBYWOTM-UHFFFAOYSA-N","398681",NA,"PDBC25830","708830","Present"
-"5-(2-Furylmethylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","5-(Furan-2-ylmethylamino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile;4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCC5=CC=CO5)C#N","BFVTWHQYPQDDPJ-UHFFFAOYSA-N","393009",NA,"PDBC25831","694260","Present"
-"5-(2-Furylmethylene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","5-(2-Furylmethylene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone","","C1CCN(CC1)CN2C(=O)C(=CC3=CC=CO3)NC2=S","SIJVLEVUCKQMBZ-XFXZXTDPSA-N","5469477",NA,"PDBC25832","688940","Present"
-"5-(2-Furylmethylene)-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","5-(2-Furylmethylene)-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone","","C1COCCN1CN2C(=O)C(=CC3=CC=CO3)NC2=S","GSXGKNJJORBETF-FLIBITNWSA-N","5469472",NA,"PDBC25833","688934","Present"
-"5-(2-Hydroxybenzyl)-2-methyl-6-phenyl-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","5-(2-Hydroxybenzyl)-2-methyl-6-phenyl-4-pyrimidinol","","CC1=NC(=C(C(=O)N1)CC2=CC=CC=C2O)C3=CC=CC=C3","FWYKYBIVPRKDBO-UHFFFAOYSA-N","135451590",NA,"PDBC25834","112541","Present"
-"5-(2-Hydroxyethyl)-9-(3-methoxyphenyl)-6,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","5-(2-hydroxyethyl)-9-(3-methoxyphenyl)-6,9-dihydro-[1,3]...","","COC1=CC=CC(=C1)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCO4","LJSYPLKJTXXEEK-UHFFFAOYSA-N","50900735",NA,"PDBC25835","750717","Present"
-"5-(2-Hydroxyethyl)-9-phenyl-6,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","5-(2-hydroxyethyl)-9-phenyl-6,9-dihydro-[1,3]dioxolo[4,5...","","C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC=CC=C5)C(=O)O1","MGBUUFXJDUAAKU-UHFFFAOYSA-N","50900736",NA,"PDBC25836","750211","Present"
-"5-(2-Hydroxyphenyl)-3-[(4-chlorophenyl)aminomethyl]-1,3,4-oxadiazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","3-[(4-Chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-...","","C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=C(C=C3)Cl)O","RWFVKMOHCHLGFN-UHFFFAOYSA-N","135585518",NA,"PDBC25837","731989","Present"
-"5-(2-Hydroxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","5-(2-Hydroxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide","","C1C(N(N=C1C2=CC=CC=C2O)C(=S)N)C3=CC=CC=C3","IHHBCUGJDXJTSW-UHFFFAOYSA-N","135426754",NA,"PDBC25838","716415","Present"
-"5-(2-Isopropylidenehydrazino)thiadiazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-(2-Isopropylidenehydrazino)thiadiazole-4-carboxamide","","CC(=NNC1=C(N=NS1)C(=O)N)C","NEMSIQLBCCVITC-UHFFFAOYSA-N","388848",NA,"PDBC25839","684042","Present"
-"5-(2-Methoxy-5-methylphenyl)dihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","5-(2-Methoxy-5-methylphenyl)dihydro-2(3H)-furanone","","CC1=CC(=C(C=C1)OC)C2CCC(=O)O2","HOURHTBOXRDXPB-UHFFFAOYSA-N","357435",NA,"PDBC25840","616263","Present"
-"5-(2-Methoxyethylamino)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","5-[(2-Methoxyethyl)amino]nicotinamide","","COCCNC1=CN=CC(=C1)C(=O)N","XFWBTMRLYCVSFE-UHFFFAOYSA-N","354310",NA,"PDBC25841","605533","Present"
-"5-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,3-dihydroindol-2-one","","","","","","","","","","","","","","","","","","","","5-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,3-dihydroindol-2-one","","CC1=CN2C=C(N=C2S1)C3=CC4=C(C=C3)NC(=O)C4","IGYGYDKIVLYMHK-UHFFFAOYSA-N","24206023",NA,"PDBC25842","737708","Present"
-"5-(2-Methylphenyl)-3-phenyl-4,5-dihydroisoxazole","","","","","","","","","","","","","","","","","","","","5-(2-Methylphenyl)-3-phenyl-4,5-dihydroisoxazole","","CC1=CC=CC=C1C2CC(=NO2)C3=CC=CC=C3","YKKKNWMVAVUVKL-UHFFFAOYSA-N","368757",NA,"PDBC25843","639911","Present"
-"5-(2-Naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","5-(2-Naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","C1=CC=C2C=C(C=CC2=C1)C3=NNC(=O)N3","WLTSTVVKCGAHLO-UHFFFAOYSA-N","135489805",NA,"PDBC25844","678396","Present"
-"5-(2-Oxohydrazino)thiadiazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-(2-Oxohydrazino)thiadiazole-4-carboxamide","","C1(=C(SN=N1)NN=O)C(=O)N","LXFPHEAQSCQHKE-UHFFFAOYSA-N","389960",NA,"PDBC25845","686663","Present"
-"5-(2-Thienyl)-2,3-bis(3-thienyl)thiophene","","","","","","","","","","","","","","","","","","","","5-(2-Thienyl)-2,3-bis(3-thienyl)thiophene","","C1=CSC(=C1)C2=CC(=C(S2)C3=CSC=C3)C4=CSC=C4","GGLWFORHSXEDQX-UHFFFAOYSA-N","376723",NA,"PDBC25846","657769","Present"
-"5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","STL428910","","C1=CSC(=C1)C=C2C(=O)NC(=S)N2","BHMMWVDJRGROOU-XQRVVYSFSA-N","5469195",NA,"PDBC25847","684330","Present"
-"5-(2H-1,3-Benzodioxol-5-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one","","","","","","","","","","","","","","","","","","","","5-(2H-1,3-Benzodioxol-5-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one","","COC1=CC(=CC(=C1OC)OC)CC2CC(OC2=O)C3=CC4=C(C=C3)OCO4","LDTXKQIMXMXSED-UHFFFAOYSA-N","345275",NA,"PDBC25848","402779","Present"
-"5-(2H-Azirin-3-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(2H-Azirin-3-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C3=NC3)CO)O","BIIZWMXEQROORM-UHFFFAOYSA-N","376367",NA,"PDBC25849","657269","Present"
-"5-(3',4'-Dimethoxy)benzylbarbituric Acid","","","","","","","","","","","","","","","","","","","","5-(3',4'-Dimethoxy)benzylbarbituric Acid","","COC1=C(C=C(C=C1)CC2C(=O)NC(=O)NC2=O)OC","JRFQBCPZBQLZJO-UHFFFAOYSA-N","389357",NA,"PDBC25850","685361","Present"
-"5-(3'-Benzloxy-4-methoxy)benzylbarbituric Acid","","","","","","","","","","","","","","","","","","","","5-(3'-Benzloxy-4-methoxy)benzylbarbituric Acid","","COC1=C(C=C(C=C1)CC2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3","VYAZLGZRJCUTJF-UHFFFAOYSA-N","389355",NA,"PDBC25851","685359","Present"
-"5-(3'-Benzyloxy-4'-methoxy)benzylidenebarbituric Acid","","","","","","","","","","","","","","","","","","","","5-(3'-Benzyloxy-4'-methoxy)benzylidenebarbituric Acid","","COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3","PQVOKQCBWATCGD-UHFFFAOYSA-N","389351",NA,"PDBC25852","685354","Present"
-"5-(3'-Methoxy-4'-benzyloxy)benzylbarbituric Acid","","","","","","","","","","","","","","","","","","","","5-(3'-Methoxy-4'-benzyloxy)benzylbarbituric Acid","","COC1=C(C=CC(=C1)CC2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3","LQWPMFMGUCJIFV-UHFFFAOYSA-N","389356",NA,"PDBC25853","685360","Present"
-"5-(3'-Methoxy-4'-benzyloxy)benzylidenebarbituric Acid","","","","","","","","","","","","","","","","","","","","5-(3'-Methoxy-4'-benzyloxy)benzylidenebarbituric Acid","","COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3","IXHLBDPSFLWTFZ-UHFFFAOYSA-N","389352",NA,"PDBC25854","685355","Present"
-"5-(3,4,5-Trimethoxybenzylidene)barbituric acid","","","","","","","","","","","","","","","","","","","","5-(3,4,5-Trimethoxybenzylidene)barbituric acid","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)NC(=O)NC2=O","NILAHWJMFWKLKH-UHFFFAOYSA-N","370318",NA,"PDBC25855","643176","Present"
-"5-(3,4,5-Trimethoxyphenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol","","","","","","","","","","","","","","","","","","","","5-(3,4,5-Trimethoxyphenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol","","COC1=CC(=CC(=C1OC)OC)C2(C3=CC=CC=C3C4=NCCN42)O","OOCXBILTCDDTIT-UHFFFAOYSA-N","395637",NA,"PDBC25856","700419","Present"
-"5-(3,4,5-Trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline","","","","","","","","","","","","","","","","","","","","5-(3,4,5-Trimethoxyphenyl)[1,3]dioxolo[4,5-g]isoquinoline","","COC1=CC(=CC(=C1OC)OC)C2=NC=CC3=CC4=C(C=C32)OCO4","BRORELUZNXUCNK-UHFFFAOYSA-N","221307",NA,"PDBC25857","5703","Present"
-"5-(3,4-Dichlorophenyl)-6-[(3-methyl-4-nitrophenoxy)methyl]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","5-(3,4-Dichlorophenyl)-6-[(3-methyl-4-nitro-phenoxy)methyl]pyrimidine-2,4-diamine","","CC1=C(C=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]","WEDPZHMFZWFEPC-UHFFFAOYSA-N","420759",NA,"PDBC25858","126710","Present"
-"5-(3,4-Dihydroxy-trans-styryl)salicylic acid","","","","","","","","","","","","","","","","","","","","5-(3,4-Dihydroxy-trans-styryl)salicylic acid","","C1=CC(=C(C=C1C=CC2=CC(=C(C=C2)O)O)C(=O)O)O","LFKFXGRMKCMWJH-OWOJBTEDSA-N","5919167",NA,"PDBC25859","666598","Present"
-"5-(3,4-Dihydroxyphenethyl)salicylic acid","","","","","","","","","","","","","","","","","","","","5-[2-(3,4-Dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid","","C1=CC(=C(C=C1CCC2=CC(=C(C=C2)O)O)C(=O)O)O","ZJYYJIKJRQVSND-UHFFFAOYSA-N","380860",NA,"PDBC25860","666600","Present"
-"5-(3,4-Dimethoxyanilino)-7-methyl-benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","5-(3,4-Dimethoxyanilino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile;4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NC5=CC(=C(C=C5)OC)OC)C#N","VAKWZIFVVZWYEC-UHFFFAOYSA-N","393014",NA,"PDBC25861","694263","Present"
-"5-(3,4-Dimethoxyphenyl)-2,4-bis(methylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline","","","","","","","","","","","","","","","","","","","","5-(3,4-Dimethoxyphenyl)-2,4-bis(methylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline","","COC1=C(C=C(C=C1)C2=C3C(=NC4=C2CCCC4)N=C(N=C3SC)SC)OC","WLWPKBMEUNOZIA-UHFFFAOYSA-N","381068",NA,"PDBC25862","667087","Present"
-"5-(3,4-Dimethoxyphenyl)-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","5-(3,4-Dimethoxyphenyl)-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine","","COC1=C(C=C(C=C1)C2=C3C(=NC(=NC3=NC4=C2CCCC4)SCCC5=CC=CC=C5)N)OC","VDIZMUOKRCBMDG-UHFFFAOYSA-N","381064",NA,"PDBC25863","667083","Present"
-"5-(3,4-Dimethoxyphenyl)-2-(ethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","5-(3,4-Dimethoxyphenyl)-2-(ethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine","","CCSC1=NC2=NC3=C(CCCC3)C(=C2C(=N1)N)C4=CC(=C(C=C4)OC)OC","IJYDUYYMAVYJKK-UHFFFAOYSA-N","381062",NA,"PDBC25864","667081","Present"
-"5-(3,4-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","5-(3,4-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","COC1=C(C=C(C=C1)C2=CN(C(=O)N2)C3=CC(=C(C(=C3)OC)OC)OC)OC","HBILIMMMVPGXOL-UHFFFAOYSA-N","45027923",NA,"PDBC25865","740130","Present"
-"5-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","5-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one","","COC1=CC=C(C=C1)N2C=C(NC2=O)C3=CC(=C(C=C3)OC)OC","AJPTWLGBPBFVJR-UHFFFAOYSA-N","2135735",NA,"PDBC25866","740262","Present"
-"5-(3,4-Dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-dithiol","","","","","","","","","","","","","","","","","","","","5-(3,4-Dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-dithiol","","COC1=C(C=C(C=C1)C2=C3C(=NC4=C2CCCC4)NC(=S)NC3=S)OC","ILCBMRHTPKAOIZ-UHFFFAOYSA-N","5465895",NA,"PDBC25867","667085","Present"
-"5-(3,4-Dimethoxyphenyl)-7-methyl-2,4-bis(methylthio)-6-phenylpyrido[2,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","5-(3,4-Dimethoxyphenyl)-7-methyl-2,4-bis(methylthio)-6-phenylpyrido[2,3-d]pyrimidine","","CC1=C(C(=C2C(=N1)N=C(N=C2SC)SC)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4","IBLDQCKNONNNDL-UHFFFAOYSA-N","381069",NA,"PDBC25868","667088","Present"
-"5-(3,4-Dimethoxyphenyl)-7-methyl-6-phenyl-pyrido[2,3-d]pyrimidine-2,4-dithiol","","","","","","","","","","","","","","","","","","","","5-(3,4-Dimethoxyphenyl)-7-methyl-6-phenylpyrido[2,3-d]pyrimidine-2,4-dithiol","","CC1=C(C(=C2C(=N1)NC(=S)NC2=S)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4","IXUURIARIZHRJA-UHFFFAOYSA-N","5465896",NA,"PDBC25869","667086","Present"
-"5-(3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)pentanenitrile;bromide","","","","","","","","","","","","","","","","","","","","1-(4-cyanobutyl)-3,5,7-triaza-1-azoniatricyclo [3.3.1.13...","","C1N2CN3CN1C[N+](C2)(C3)CCCCC#N.[Br-]","XCUKOHRWZQALSN-UHFFFAOYSA-M","5458254",NA,"PDBC25870","131869","Present"
-"5-(3,5-Dimethylphenyl)sulfanyl-1-methyl-4-nitro-imidazole","","","","","","","","","","","","","","","","","","","","1H-Imidazole, 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-nitro-","","CC1=CC(=CC(=C1)SC2=C(N=CN2C)[N+](=O)[O-])C","NYMZIPJNYMQIAU-UHFFFAOYSA-N","364611",NA,"PDBC25871","631139","Present"
-"5-(3-(1-Naphthyl)-3-oxopropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","","","","","","","","","","","","","","","","","","","","5-[3-(Naphthalen-1-yl)-3-oxopropyl]pyrimidine-2,4,6(1H,3...","","C1=CC=C2C(=C1)C=CC=C2C(=O)CCC3C(=O)NC(=O)NC3=O","PTAICSCAUQFACU-UHFFFAOYSA-N","373345",NA,"PDBC25872","649561","Present"
-"5-(3-(2-(3-(1H-Tetraazol-5-yl)phenyl)hydrazino)phenyl)-1H-tetraazole","","","","","","","","","","","","","","","","","","","","5-(3-(2-(3-(1H-Tetraazol-5-yl)phenyl)hydrazino)phenyl)-1H-tetraazole","","C1=CC(=CC(=C1)NNC2=CC=CC(=C2)C3=NNN=N3)C4=NNN=N4","ZJPYMKYAGHLCLA-UHFFFAOYSA-N","323175",NA,"PDBC25873","282027","Present"
-"5-(3-(2-Hydroxy-1-naphthyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","5-(3-(2-Hydroxy-1-naphthyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide","","CC1=C(SC(=N1)C(=S)N)C(=O)C=CC2=C(C=CC3=CC=CC=C32)O","ILTPMWGMFDQXJA-VQHVLOKHSA-N","5814880",NA,"PDBC25874","640571","Present"
-"5-(3-(2-Hydroxy-3-methoxyphenyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","5-(3-(2-Hydroxy-3-methoxyphenyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide","","CC1=C(SC(=N1)C(=S)N)C(=O)C=CC2=C(C(=CC=C2)OC)O","FGQSEGPUAAJKPA-VOTSOKGWSA-N","6037314",NA,"PDBC25875","642625","Present"
-"5-(3-(2-Naphthyl)-3-oxopropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","","","","","","","","","","","","","","","","","","","","5-(3-(2-Naphthyl)-3-oxopropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","","C1=CC=C2C=C(C=CC2=C1)C(=O)CCC3C(=O)NC(=O)NC3=O","PFVXZBCVUKDZPF-UHFFFAOYSA-N","372153",NA,"PDBC25876","647107","Present"
-"5-(3-(3-Hydroxyphenyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","5-(3-(3-Hydroxyphenyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide","","CC1=C(SC(=N1)C(=S)N)C(=O)C=CC2=CC(=CC=C2)O","ISQAZEQVURNQJS-AATRIKPKSA-N","5896934",NA,"PDBC25877","640581","Present"
-"5-(3-(4-Chlorophenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","5-(3-(4-Chlorophenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone","","CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)Cl","YFIBIWDORGBRKZ-JLHYYAGUSA-N","5800881",NA,"PDBC25878","634627","Present"
-"5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone","","CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)F","SOBGULKOHOCBQO-JLHYYAGUSA-N","6156669",NA,"PDBC25879","634628","Present"
-"5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)F)N4CCCC4","LYWHTOFQZYMZNT-SDNWHVSQSA-N","6380586",NA,"PDBC25880","633105","Present"
-"5-(3-(4-Methoxyphenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","5-(3-(4-Methoxyphenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone","","CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)OC","OYRAFGCWMBNYEL-SDNWHVSQSA-N","5831413",NA,"PDBC25881","634626","Present"
-"5-(3-(4-Methoxyphenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","5-(3-(4-Methoxyphenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC)N4CCCC4","OZNJJYFJONWROQ-NTCAYCPXSA-N","6380584",NA,"PDBC25882","633103","Present"
-"5-(3-(Dimethylamino)propyl)-2,3,9-trimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione","","","","","","","","","","","","","","","","","","","","5-(3-(dimethylamino)propyl)-2,3,9-trimethoxy-5H-indeno[1...","","CN(C)CCCN1C2=CC(=C(C=C2C3=C(C1=O)C4=C(C3=O)C=C(C=C4)OC)OC)OC","ULPIMCLMJAWSRK-UHFFFAOYSA-N","54673151",NA,"PDBC25883","754244","Present"
-"5-(3-(Dimethylamino)propylamino)-3,10-dimethylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione hydrochloride","","","","","","","","","","","","","","","","","","","","Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 5-[[3-(dimet...","","CN1C2=CC=CC=C2C(=NCCCN(C)C)C3=C1NC(=O)N(C3=O)C.Cl","YSJHFYGHCIFBCG-UHFFFAOYSA-N","135502393",NA,"PDBC25884","373989","Present"
-"5-(3-Azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","2,4-Pyrimidinediamine, 5-(3-azido-4-chlorophenyl)-6-ethyl-","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=[N+]=[N-]","CTABHCUZJBWUKN-UHFFFAOYSA-N","343098",NA,"PDBC25885","319947","Present"
-"5-(3-Carboxy-4-nitrophenyl)sulfanyl-2-nitrobenzoic acid","","","","","","","","","","","","","","","","","","","","5,5'-Thiobis(2-nitrobenzoic acid)","","C1=CC(=C(C=C1SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]","SVMGGVKPYCCFKL-UHFFFAOYSA-N","393411",NA,"PDBC25886","695265","Present"
-"5-(3-Chloro-2-(chloro(difluoro)methyl)-3,3-difluoro-2-hydroxypropyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one","","","","","","","","","","","","","","","","","","","","5-[3-Chloro-2-[chloro(difluoro)methyl]-3,3-difluoro-2-hydroxy-propyl]-2-phenyl-1H-pyrazol-3-one","","C1=CC=C(C=C1)N2C(=O)C=C(N2)CC(C(F)(F)Cl)(C(F)(F)Cl)O","LPCAPWWZVCNFFV-UHFFFAOYSA-N","379585",NA,"PDBC25887","664274","Present"
-"5-(3-Chloro-4-fluorophenyl)-4-[(E)-(4-fluorophenyl)methylideneamino]-2-[[2-(trifluoromethyl)anilino]methyl]-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","5-(3-Chloro-4-fluorophenyl)-4-[(E)-(4-fluorophenyl)methylideneamino]-2-[[2-(trifluoromethyl)anilino]methyl]-1,2,4-triazole-3-thione","","C1=CC=C(C(=C1)C(F)(F)F)NCN2C(=S)N(C(=N2)C3=CC(=C(C=C3)F)Cl)N=CC4=CC=C(C=C4)F","QXGKTTMLQXJZPU-KLPHOBTLSA-N","24205544",NA,"PDBC25888","736143","Present"
-"5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","2,4-Pyrimidinediamine, 5-(3-chloro-4-nitrophenyl)-6-ethyl-","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)[N+](=O)[O-])Cl","WVOUXRHJGOEMJA-UHFFFAOYSA-N","353606",NA,"PDBC25889","602313","Present"
-"5-(3-Chloro-benzylidene)-thiazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","BIM-0032405.P001","","C1=CC(=CC(=C1)Cl)C=C2C(=O)NC(=O)S2","DTXPSQFSJWKKSG-VMPITWQZSA-N","5339172",NA,"PDBC25890","710600","Present"
-"5-(3-Chlorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","5-(3-Chlorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one","","C1=CC=C(C=C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)C4=CC(=CC=C4)Cl)OC2=O","GHNZZNPFOCVVLH-UHFFFAOYSA-N","384676",NA,"PDBC25891","674721","Present"
-"5-(3-Chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole","","","","","","","","","","","","","","","","","","","","5-(3-Chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole","","C1C(NN=C1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl","TUKNSEQIGURXQP-UHFFFAOYSA-N","403633",NA,"PDBC25892","718701","Present"
-"5-(3-Chlorophenyl)-7H-benzimidazo[7,1-fg][1,7]naphthyridine","","","","","","","","","","","","","","","","","","","","10-(3-Chlorophenyl)-6,9,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,10,12,14-heptaene","","C1C2=C(C=CC=N2)C3=C4N1C(=NC4=CC=C3)C5=CC(=CC=C5)Cl","XWXOIHSCXQYHOV-UHFFFAOYSA-N","383949",NA,"PDBC25893","672913","Present"
-"5-(3-Dimethylaminomethyleneamino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","5-(3-Dimethylaminomethyleneamino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=CN(C)C","JHYUQAGPICBQOR-UHFFFAOYSA-N","341268",NA,"PDBC25894","372950","Present"
-"5-(3-Dimethylaminopropylamino)phthalazino[1,2-b]quinazolin-8-one","","","","","","","","","","","","","","","","","","","","5-(3-dimethylaminopropylamino)phthalazino[1,2-b]quinazol...","","CN(C)CCCNC1=NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C41","VYNPQVGFXYNKOX-UHFFFAOYSA-N","1587486",NA,"PDBC25895","749167","Present"
-"5-(3-Ethoxypropyl)-9-hydroxy-5H-indeno[1,2-b]indol-10-one","","","","","","","","","","","","","","","","","","","","5-(3-Ethoxypropyl)-9-hydroxy-5H-indeno[1,2-b]indol-10-one","","CCOCCCN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O","SLTBZUVBFNGANB-UHFFFAOYSA-N","24205568",NA,"PDBC25896","736172","Present"
-"5-(3-Fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","F2185-0721","","CN1C(CC(C1=O)O)C2=CC(=CC=C2)F","VWRKGZFFOYIATL-UHFFFAOYSA-N","389892",NA,"PDBC25897","686528","Present"
-"5-(3-Hydroxy-4-methoxyphenyl)-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","5-(3-hydroxy-4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)...","","COC1=C(C=C(C=C1)C2=C(OC(=O)C=C2)C3=CC(=C(C(=C3)OC)OC)OC)O","UKDQCIHVKSGIHE-UHFFFAOYSA-N","45028149",NA,"PDBC25898","741290","Present"
-"5-(3-Hydroxy-4-methoxyphenyl)-6-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","5-(3-hydroxy-4-methoxyphenyl)-6-[(3,4,5-trimethoxyphenyl...","","COC1=C(C=C(C=C1)C2=C(OC(=O)C=C2)C#CC3=CC(=C(C(=C3)OC)OC)OC)O","HIWILIGTUKVAQC-UHFFFAOYSA-N","45028152",NA,"PDBC25899","741293","Present"
-"5-(3-Hydroxy-propoxymethyl)-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(3-Hydroxy-propoxymethyl)-1H-pyrimidine-2,4-dione","","C1=C(C(=O)NC(=O)N1)COCCCO","UOPPOPPEDDACKV-UHFFFAOYSA-N","373126",NA,"PDBC25900","649068","Present"
-"5-(3-Hydroxyphenyl)-3H-1,2-dithiol-3-thione","","","","","","","","","","","","","","","","","","","","5-(3-Hydroxyphenyl)-3H-1,2-dithiol-3-thione","","C1=CC(=CC(=C1)O)C2=CC(=S)SS2","MITFPFXXJMTHIE-UHFFFAOYSA-N","400549",NA,"PDBC25901","712670","Present"
-"5-(3-Hydroxypyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-(3-Hydroxypyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carbonitrile","","C1CN(CC1O)C2=C(C3=NC4=CC=CC=C4N3C5=CC=CC=C52)C#N","HNGVRYQZCVGLNG-UHFFFAOYSA-N","392513",NA,"PDBC25902","693030","Present"
-"5-(3-Imidazol-1-ylpropylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","5-(3-Imidazol-1-ylpropylamino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile;4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCCN5C=CN=C5)C#N","BXOWVKBIUNKJIS-UHFFFAOYSA-N","393022",NA,"PDBC25903","694268","Present"
-"5-(3-Mesityl-5-phenyl-1,4,2-dioxazol-5-yl)-2-phenyl-3(2H)-isothiazolone","","","","","","","","","","","","","","","","","","","","5-(3-Mesityl-5-phenyl-1,4,2-dioxazol-5-yl)-2-phenyl-3(2H)-isothiazolone","","CC1=CC(=C(C(=C1)C)C2=NOC(O2)(C3=CC=CC=C3)C4=CC(=O)N(S4)C5=CC=CC=C5)C","OSKQJMMDJOLOOG-UHFFFAOYSA-N","394285",NA,"PDBC25904","697652","Present"
-"5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole","","","","","","","","","","","","","","","","","","","","5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole","","COC1=CC=CC(=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC","QBHAJKKPBMRTJO-UHFFFAOYSA-N","45028260",NA,"PDBC25905","741942","Present"
-"5-(3-Methyl-1,3-thiazinan-2-ylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-(3-Methyl-1,3-thiazinan-2-ylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one","","CN1CCCSC1=C2C(=O)N(C(=S)S2)C3=CC=CC=C3","LKGVMWQXJNJISS-ACCUITESSA-N","3004377",NA,"PDBC25906","649018","Present"
-"5-(3-Methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-(3-Methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid","","CC1=NOC(=C1)C2=CC=C(N2)C(=O)O","OETMYTKMPUTIEZ-UHFFFAOYSA-N","392920",NA,"PDBC25907","694104","Present"
-"5-(3-Nitrophenyl)-3-oxo-2-(3,5-trimethoxybenzylidene)-2,3-dihydrothiazolo[2,3-b]thiazol-4-ium chloride","","","","","","","","","","","","","","","","","","","","5-(3-nitrophenyl)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-...","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]","FFZBPBXVJLVWTK-NAIZSXBXSA-M","6517868",NA,"PDBC25908","658290","Present"
-"5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-ol","","","","","","","","","","","","","","","","","","","","5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-ol","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=O)N2","GWBITECELKZDFX-UHFFFAOYSA-N","135486402",NA,"PDBC25909","678395","Present"
-"5-(3-Nitrophenyl)thiophene-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","6253AJ","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(S2)C=O","FWBJYBHOUJJDEN-UHFFFAOYSA-N","390173",NA,"PDBC25910","687320","Present"
-"5-(3-Oxo-5-phenyl-4-pentenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","5-[(E)-3-Oxo-5-phenyl-pent-4-enyl]-2-thioxo-hexahydropyrimidine-4,6-dione","","C1=CC=C(C=C1)C=CC(=O)CCC2C(=O)NC(=S)NC2=O","RSNCIBMHZXGTTK-VOTSOKGWSA-N","5887450",NA,"PDBC25911","649556","Present"
-"5-(3-Oxo-but-1-enyl)-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(3-Oxo-but-1-enyl)-1H-pyrimidine-2,4-dione","","CC(=O)C=CC1=CNC(=O)NC1=O","ROAAEOJUCDTGGM-NSCUHMNNSA-N","6284909",NA,"PDBC25912","207111","Present"
-"5-(3-Oxobutyl)-3,3a,4,6-tetrahydropyrrolo[3,4-c]pyrazole-6a-carbonitrile","","","","","","","","","","","","","","","","","","","","1-Cyano-7-[3-oxo-butyl]-2,3,7-triazabicyclo[3.3.0]oct-2-ene","","CC(=O)CCN1CC2CN=NC2(C1)C#N","YZYMXILMEJGAOY-UHFFFAOYSA-N","386773",NA,"PDBC25913","679451","Present"
-"5-(3-Phenyl-3-oxo-1-propynyl)pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","5-(3-Phenyl-3-oxo-1-propynyl)pyrimidine-2,4(1H,3H)-dione","","C1=CC=C(C=C1)C(=O)C#CC2=CNC(=O)NC2=O","UBLTWZQWEKQURJ-UHFFFAOYSA-N","359098",NA,"PDBC25914","619674","Present"
-"5-(3-Phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4-oxothiazolidin-2-thione","","","","","","","","","","","","","","","","","","","","5-(3-phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4- oxo...","","C1C(=O)N(C(=C2C(=O)N(C(=S)S2)C3=CC=CC=C3)S1)C4=CC=CC=C4","YCDVRAJZFHLNFN-BMRADRMJSA-N","5472509",NA,"PDBC25915","719994","Present"
-"5-(3-Tert-Butoxy-2-cyano-3-oxopropanoyl)-1H-pyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-(3-Tert-Butoxy-2-cyano-3-oxopropanoyl)-1H-pyrrole-2-carboxylic acid","","CC(C)(C)OC(=O)C(C#N)C(=O)C1=CC=C(N1)C(=O)O","QXZLUBFLEDUMDB-UHFFFAOYSA-N","392530",NA,"PDBC25916","693046","Present"
-"5-(3-Tosylureido)-1,3,4-thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","LS-158852","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NN=C(S2)S(=O)(=O)N","MVJGBJOMTDVGRA-UHFFFAOYSA-N","395826",NA,"PDBC25917","700718","Present"
-"5-(4,6-Difluoro-1,3,5-triazin-2-yl)-2,3-dihydro[1,3]thiazolo[2,3-a]isoindole","","","","","","","","","","","","","","","","","","","","5-(4,6-Difluoro-1,3,5-triazin-2-yl)-2,3-dihydro[1,3]thiazolo[2,3-a]isoindole","","C1CSC2=C3C=CC=CC3=C(N21)C4=NC(=NC(=N4)F)F","RGUFIXWRRQEQQB-UHFFFAOYSA-N","373224",NA,"PDBC25918","649231","Present"
-"5-(4-(((4-Amino-5-(4-chloroanilino)-4H-1,2,4-triazol-3-yl)methyl)amino)phenyl)-N~3~-(4-chlorophenyl)-4H-1,2,4-triazole-3,4-diamine","","","","","","","","","","","","","","","","","","","","5-[[4-[4-Amino-5-(4-chloroanilino)-1,2,4-triazol-3-yl]anilino]methyl]-3-N-(4-chlorophenyl)-1,2,4-triazole-3,4-diamine","","C1=CC(=CC=C1C2=NN=C(N2N)NC3=CC=C(C=C3)Cl)NCC4=NN=C(N4N)NC5=CC=C(C=C5)Cl","OQLFYWGEGXKAAL-UHFFFAOYSA-N","394026",NA,"PDBC25919","697144","Present"
-"5-(4-(((4-Amino-5-(methylamino)-4H-1,2,4-triazol-3-yl)methyl)amino)phenyl)-N~3~-methyl-4H-1,2,4-triazole-3,4-diamine","","","","","","","","","","","","","","","","","","","","5-[[4-[4-Amino-5-(methylamino)-1,2,4-triazol-3-yl]anilino]methyl]-3-N-methyl-1,2,4-triazole-3,4-diamine","","CNC1=NN=C(N1N)CNC2=CC=C(C=C2)C3=NN=C(N3N)NC","OEIXKSOVZGENLH-UHFFFAOYSA-N","394027",NA,"PDBC25920","697145","Present"
-"5-(4-((4-Chlorophenyl)thio)-4-phenyl-2-butenyl)-6-methyl-1,2,4-triazin-3-ylamine","","","","","","","","","","","","","","","","","","","","5-(4-((4-Chlorophenyl)thio)-4-phenyl-2-butenyl)-6-methyl-1,2,4-triazin-3-ylamine","","CC1=C(N=C(N=N1)N)CC=CC(C2=CC=CC=C2)SC3=CC=C(C=C3)Cl","NCHGEEUKGFVBNK-WEVVVXLNSA-N","6413455",NA,"PDBC25921","698022","Present"
-"5-(4-((Tert-Butyl(dimethyl)silyl)oxy)-3,5-dimethylphenyl)-5-((2-methoxyethoxy)methoxy)-1-pentanol","","","","","","","","","","","","","","","","","","","","5-(4-((Tert-Butyl(dimethyl)silyl)oxy)-3,5-dimethylphenyl)-5-((2-methoxyethoxy)methoxy)-1-pentanol","","CC1=CC(=CC(=C1O[Si](C)(C)C(C)(C)C)C)C(CCCCO)OCOCCOC","ZKFUWBVSEYSRCR-UHFFFAOYSA-N","371296",NA,"PDBC25922","645371","Present"
-"5-(4-(Aminomethyl)-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","5-(4-(Aminomethyl)-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol","","CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)CN","YKSBIVHAIFIDOJ-UHFFFAOYSA-N","135422761",NA,"PDBC25923","673102","Present"
-"5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihydro-[1,3,4]thiadiazole-2-sulfonic acid amide","","","","","","","","","","","","","","","","","","","","5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihydro-[1,3,4]thiadiazole-2-sulfonic acid amide","","CN1C(=NS(=O)(=O)C2=CC=C(C=C2)N)SC(=N1)S(=O)(=O)N","BKCXBMXTXLGZCV-MDWZMJQESA-N","5956379",NA,"PDBC25924","700712","Present"
-"5-(4-Aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-(4-Aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine","","CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)C3=CC=C(C=C3)N","YAVDYPHYLFWKDL-UHFFFAOYSA-N","402293",NA,"PDBC25925","716184","Present"
-"5-(4-Benzyl-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","5-(4-Benzyl-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol","","CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)CC3=CC=CC=C3","MBCPFKQSLUHISR-UHFFFAOYSA-N","135476303",NA,"PDBC25926","673098","Present"
-"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(2-methylphenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(o-tolyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione","","CC1=CC=CC=C1N2C(=O)C3CC(C=CC3C2=O)N4C(=O)N(C(=O)N4)CC5=CC=CC=C5","SWDCMYLXRQXNGE-UHFFFAOYSA-N","374441",NA,"PDBC25927","652152","Present"
-"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(3-chlorophenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(3-chlorophenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","","C1C(C=CC2C1C(=O)N(C2=O)C3=CC(=CC=C3)Cl)N4C(=O)N(C(=O)N4)CC5=CC=CC=C5","UKUAZBWOTIWXGB-UHFFFAOYSA-N","374444",NA,"PDBC25928","652155","Present"
-"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(4-bromophenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(4-bromophenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","","C1C(C=CC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br)N4C(=O)N(C(=O)N4)CC5=CC=CC=C5","ZQBBZDNYYFYSQS-UHFFFAOYSA-N","374446",NA,"PDBC25929","652157","Present"
-"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(4-methoxyphenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(4-methoxyphenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","","COC1=CC=C(C=C1)N2C(=O)C3CC(C=CC3C2=O)N4C(=O)N(C(=O)N4)CC5=CC=CC=C5","UUVVWBZBKOWYBO-UHFFFAOYSA-N","374443",NA,"PDBC25930","652154","Present"
-"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(4-methylphenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(p-tolyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione","","CC1=CC=C(C=C1)N2C(=O)C3CC(C=CC3C2=O)N4C(=O)N(C(=O)N4)CC5=CC=CC=C5","NSKRXGIBHQDJKC-UHFFFAOYSA-N","374442",NA,"PDBC25931","652153","Present"
-"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","","CC1=CC2C(CC1N3C(=O)N(C(=O)N3)CC4=CC=CC=C4)C(=O)N(C2=O)C5=CC=CC=C5","XYTLCKXGZKYPTP-UHFFFAOYSA-N","374445",NA,"PDBC25932","652156","Present"
-"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-6-methylene-2-phenylhexahydro-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-6-methylidene-2-phenyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione","","C=C1CC2C(CC1N3C(=O)N(C(=O)N3)CC4=CC=CC=C4)C(=O)N(C2=O)C5=CC=CC=C5","NFPGEIZVAHSMNV-UHFFFAOYSA-N","374447",NA,"PDBC25933","652158","Present"
-"5-(4-Benzylpiperazin-1-yl)-6-methylpyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","5-(4-Benzylpiperazin-1-yl)-6-methylpyrimidine-2,4-diamine","","CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)CC3=CC=CC=C3","RWPZCMBDWDFQQK-UHFFFAOYSA-N","391857",NA,"PDBC25934","691520","Present"
-"5-(4-Bromo-1-methyl-2,5-dioxopyrrol-3-yl)-1,3,6-trimethylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(4-Bromo-1-methyl-2,5-dioxopyrrol-3-yl)-1,3,6-trimethylpyrimidine-2,4-dione","","CC1=C(C(=O)N(C(=O)N1C)C)C2=C(C(=O)N(C2=O)C)Br","HCBDFLQTDJMJFF-UHFFFAOYSA-N","342065",NA,"PDBC25935","377143","Present"
-"5-(4-Bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-(4-Bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid","","CC1=NOC(=C1Br)C2=CC=C(N2)C(=O)O","ZOXJKUCAAUOHED-UHFFFAOYSA-N","392918",NA,"PDBC25936","694102","Present"
-"5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","","","","","","","","","","","","","","","","","","","5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Br","NYIXKOLBAFONPA-UHFFFAOYSA-N","384263",NA,"PDBC25937","673811","Present"
-"5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine 6,6-dioxide","","","","","","","","","","","","","","","","","","","","5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine 6,6-dioxide","","C1C(S(=O)(=O)C2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Br","QISNOUNKDBHGTJ-UHFFFAOYSA-N","384268",NA,"PDBC25938","673816","Present"
-"5-(4-Bromophenyl)-2-(4-methoxyphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-(4-Bromophenyl)-2-(4-methoxyphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","COC1=CC=C(C=C1)N2C(=O)C3CC(C4=C(C3C2=O)NC5=CC=CC=C54)C6=CC=C(C=C6)Br","BTIBBLIGJHWIEC-UHFFFAOYSA-N","373646",NA,"PDBC25939","650366","Present"
-"5-(4-Bromophenyl)-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-(4-Bromophenyl)-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole","","C1CSC(S1)C2=CC3=C(C=C2C4=CC=C(C=C4)Br)OCO3","MEIILGLHUWIVLW-UHFFFAOYSA-N","372798",NA,"PDBC25940","648421","Present"
-"5-(4-Bromophenyl)-7,7-bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-(4-Bromophenyl)-7,7-bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=C(C=C3)Br)C(=O)N(C1=O)C","YYHJFBGHPNHNCB-UHFFFAOYSA-N","395441",NA,"PDBC25941","699986","Present"
-"5-(4-Chlorobenzylidene)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","BHT102893","","C1=CC(=CC=C1C=C2C(=O)NC(=S)N2)Cl","QNVGUGFRTRAWCL-YVMONPNESA-N","717424",NA,"PDBC25942","684329","Present"
-"5-(4-Chlorophenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine","","C1CCC2=C(C1)C3=C(C=CC4=CC=CC=C43)N=C2C5=CC=C(C=C5)Cl","PASHVRJQIMSUKB-UHFFFAOYSA-N","394741",NA,"PDBC25943","698409","Present"
-"5-(4-Chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","COC1=CC(=CC(=C1OC)OC)N2C=C(NC2=O)C3=CC=C(C=C3)Cl","FCLMJANOGCULJL-UHFFFAOYSA-N","44446871",NA,"PDBC25944","740124","Present"
-"5-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)triazole","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)triazole","","C1CN=C(N1)C2=C(N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl","SOCLFZKCXIVUAT-UHFFFAOYSA-N","371077",NA,"PDBC25945","645023","Present"
-"5-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-1H-1,2,3-triazole","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-1H-1,2,3-triazole","","C1CN=C(N1)C2=C(N(N=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","AKLPEUDSMPZKCA-UHFFFAOYSA-N","371082",NA,"PDBC25946","645028","Present"
-"5-(4-Chlorophenyl)-4-imino-7-(4-methylphenyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-amine","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-4-imino-7-(4-methylphenyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-amine","","CC1=CC=C(C=C1)N2C=C(C3=C2N=CN(C3=N)N)C4=CC=C(C=C4)Cl","JBWNVMWSJUKGMH-UHFFFAOYSA-N","381122",NA,"PDBC25947","667384","Present"
-"5-(4-Chlorophenyl)-5-(p-tolyl)-2,3-dihydroimidazo[2,1-a]isoindole","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-5-(p-tolyl)-2,3-dihydroimidazo[2,1-a]isoindole","","CC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=NCCN42)C5=CC=C(C=C5)Cl","NBNISSOBVHKYNY-UHFFFAOYSA-N","388690",NA,"PDBC25948","683714","Present"
-"5-(4-Chlorophenyl)-5-cyano-4-oxo-N-(3-(trifluoromethyl)phenyl)pentanamide","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-5-cyano-4-oxo-N-(3-(trifluoromethyl)phenyl)pentanamide","","C1=CC(=CC(=C1)NC(=O)CCC(=O)C(C#N)C2=CC=C(C=C2)Cl)C(F)(F)F","GCUUDVYSFPQBBE-UHFFFAOYSA-N","360357",NA,"PDBC25949","622415","Present"
-"5-(4-Chlorophenyl)-5-cyano-N-(3,4-dichlorophenyl)-4-oxopentanamide","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-5-cyano-N-(3,4-dichlorophenyl)-4-oxopentanamide","","C1=CC(=CC=C1C(C#N)C(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl","IHHKPRYLKAUDQK-UHFFFAOYSA-N","364950",NA,"PDBC25950","631836","Present"
-"5-(4-Chlorophenyl)-5-cyano-N-(3,4-dimethylphenyl)-4-oxopentanamide","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-5-cyano-N-(3,4-dimethylphenyl)-4-oxopentanamide","","CC1=C(C=C(C=C1)NC(=O)CCC(=O)C(C#N)C2=CC=C(C=C2)Cl)C","CIAOLGIQNCAKAM-UHFFFAOYSA-N","364942",NA,"PDBC25951","631828","Present"
-"5-(4-Chlorophenyl)-6,8-dimethyl-2H,3H,5H-imidazo[2,1-a]isoindol-5-ol","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-6,8-dimethyl-2H,3H,5H-imidazo[2,1-a]isoindol-5-ol","","CC1=CC(=C2C(=C1)C3=NCCN3C2(C4=CC=C(C=C4)Cl)O)C","JHOCWSUEYIATGH-UHFFFAOYSA-N","403506",NA,"PDBC25952","718506","Present"
-"5-(4-Chlorophenyl)-6-(-2-(4-nitrophenyl)ethenyl)-2,4-pyrimidinediamine","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-6-(-2-(4-nitrophenyl)ethenyl)-2,4-pyrimidinediamine","","C1=CC(=CC=C1C=CC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)[N+](=O)[O-]","VOCVPDMLBGGHDW-XCVCLJGOSA-N","5474909",NA,"PDBC25953","104133","Present"
-"5-(4-Chlorophenyl)-6-pyrrolidin-1-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-6-pyrrolidin-1-yl-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-5-ol","","C1CCN(C1)C2C3=CC=CC=C3C4=NCCN4C2(C5=CC=C(C=C5)Cl)O","KVHQKANIWGGWBY-UHFFFAOYSA-N","403515",NA,"PDBC25954","718516","Present"
-"5-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine","","CC1=NN=C2N1C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl","AWOPAMHXVNLDPR-UHFFFAOYSA-N","403762",NA,"PDBC25955","719181","Present"
-"5-(4-Chlorophenyl)-7-(3,4-dichlorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine","","","","","","","","","","","","","","","","","","","","5-(4-chlorophenyl)-7-(3,4-dichlorophenyl)-3-methyl-5H-th...","","CC1=CSC2=NC(=CC(N12)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl","AQNDJNYONCCFHL-UHFFFAOYSA-N","155815875",NA,"PDBC25956","765920","Present"
-"5-(4-Chlorophenyl)-8-(pyrrolidin-1-ylmethyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-8-(pyrrolidin-1-ylmethyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol","","C1CCN(C1)CC2=CC3=C(C=C2)C(N4C3=NCC4)(C5=CC=C(C=C5)Cl)O","GVDCZRJSTYCQKW-UHFFFAOYSA-N","403512",NA,"PDBC25957","718512","Present"
-"5-(4-Chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine","","","","","","","","","","","","","","","","","","","","5-(4-Chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine","","COC1=CC(=CC(=C1OC)OC)NC2=C(NN=C2)C3=CC=C(C=C3)Cl","SKNOXMDFVCACAC-UHFFFAOYSA-N","45028878",NA,"PDBC25958","744683","Present"
-"5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol","","CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)C#N","NKPUYTKJVMJWLO-UHFFFAOYSA-N","135422862",NA,"PDBC25959","673099","Present"
-"5-(4-Diethylamino-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","barbituric acid, 5-[p-(diethylamino)benzylidene]-2-thio-","","CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O","UWGKOXLKMHPSTG-UHFFFAOYSA-N","678138",NA,"PDBC25960","90749","Present"
-"5-(4-Dimethylamino-benzylidene)-2-(4-methyl-piperazin-1-yl)-thiazol-4-one","","","","","","","","","","","","","","","","","","","","5-(4-Dimethylamino-benzylidene)-2-(4-methyl-piperazin-1-...","","CN1CCN(CC1)C2=NC(=O)C(=CC3=CC=C(C=C3)N(C)C)S2","RRNSVDBLPXFNEG-NTCAYCPXSA-N","1902891",NA,"PDBC25961","735178","Present"
-"5-(4-Dimethylaminobenzylidene)rhodanine","","","","","","","","","","","","","","","","","","","","p-dimethylaminobenzalrhodanine","","CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=S)S2","JJRVRELEASDUMY-JXMROGBWSA-N","1273211",NA,"PDBC25962","5042","Present"
-"5-(4-Fluoroanilino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile","","","","","","","","","","","","","","","","","","","","5-(4-Fluoroanilino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile","","C1CCN(C1)C2=NSC(=C2C#N)NC3=CC=C(C=C3)F","BSPGJLNIBBAMBI-UHFFFAOYSA-N","385018",NA,"PDBC25963","675871","Present"
-"5-(4-Fluorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","5-(4-Fluorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one","","C1=CC(=CC=C1C(=O)CN2C3=C(C=CC(=C3)C(=O)C4=CC=C(C=C4)F)OC2=O)[N+](=O)[O-]","HYMAOOQZQWFHLP-UHFFFAOYSA-N","384678",NA,"PDBC25964","674723","Present"
-"5-(4-Fluorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","5-(4-Fluorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one","","C1=CC=C(C=C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)C4=CC=C(C=C4)F)OC2=O","FUFOBSYVSCZRIV-UHFFFAOYSA-N","384677",NA,"PDBC25965","674722","Present"
-"5-(4-Fluorophenyl)-2-((8-((5-(4-fluorophenyl)-4-propyl-1H-imidazol-2-yl)thio)octyl)thio)-4-propyl-1H-imidazole methanesulfonate","","","","","","","","","","","","","","","","","","","","4-(4-Fluorophenyl)-2-[8-[[4-(4-fluorophenyl)-5-propyl-1H-imidazol-2-yl]sulfanyl]octylsulfanyl]-5-propyl-1H-imidazole;methanesulfonic acid","","CCCC1=C(N=C(N1)SCCCCCCCCSC2=NC(=C(N2)CCC)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.CS(=O)(=O)O","JUMCLLGZRVASPB-UHFFFAOYSA-N","374589",NA,"PDBC25966","652562","Present"
-"5-(4-Fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","5-(4-Fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","COC1=CC(=CC(=C1OC)OC)N2C=C(NC2=O)C3=CC=C(C=C3)F","UTUFBMLUHPIJTP-UHFFFAOYSA-N","45027956",NA,"PDBC25967","740257","Present"
-"5-(4-Fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione","","","","","","","","","","","","","","","","","","","","5-(4-Fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione","","COC1=CC(=CC(=C1OC)OC)N2C=C(NC2=S)C3=CC=C(C=C3)F","HBVAFBIDYQJDPA-UHFFFAOYSA-N","45027955",NA,"PDBC25968","740254","Present"
-"5-(4-Hydroxy-3,5-dimethoxy-phenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[5,6-f]indolizine-7,10-dione","","","","","","","","","","","","","","","","","","","","5-(4-Hydroxy-3,5-dimethoxy-phenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[5,6-f]indolizine-7,10-dione","","COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3C(=O)C5N2C(=O)CC5)OCO4","DHAJSWSGIAPSOV-UHFFFAOYSA-N","393641",NA,"PDBC25969","695852","Present"
-"5-(4-Hydroxybenzylidene)-2-[(4-methoxyphenyl)imino]-3-propyl-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-[(4-hydroxy)-benzyliden]-2(4-methoxy)phenylimino-3-pro...","","CCCN1C(=O)C(=CC2=CC=C(C=C2)O)SC1=NC3=CC=C(C=C3)OC","YKFLLPCISRROEB-JEFZPDFESA-N","1813011",NA,"PDBC25970","731054","Present"
-"5-(4-Hydroxybenzylidene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-hydroxybenzylidene]imidazolidine-4-one","","C1CCN(CC1)CN2C(=O)C(=CC3=CC=C(C=C3)O)NC2=S","RVXZHNYALNHPDF-UVTDQMKNSA-N","5469478",NA,"PDBC25971","688941","Present"
-"5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","NSC766747","","COC1=CC=C(C=C1)C=C2C(=O)NC(=NC3=CC=CC=C3)S2","GIIJJSVNYMYHHB-PTNGSMBKSA-N","135465730",NA,"PDBC25972","766747","Present"
-"5-(4-Methoxybenzylidene)-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","2-Thioxo-3-(morpholinomethyl)-5-[(Z)-4-methoxybenzylidene]imidazolidine-4-one","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CN3CCOCC3","MRLIMXYBVBQMIY-UVTDQMKNSA-N","5469468",NA,"PDBC25973","688930","Present"
-"5-(4-Methoxybenzylidene)-3-(piperidinomethyl)-2-thiohydantoin","","","","","","","","","","","","","","","","","","","","PQQMTSHCNWPQES-PTNGSMBKSA-N","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CN3CCCCC3","PQQMTSHCNWPQES-PTNGSMBKSA-N","5369167",NA,"PDBC25974","688936","Present"
-"5-(4-Methoxyphenethyl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-[2-(4-Methoxyphenyl)ethyl]-1,3-benzodioxole","","COC1=CC=C(C=C1)CCC2=CC3=C(C=C2)OCO3","YAZOTRZBIAZJHD-UHFFFAOYSA-N","398644",NA,"PDBC25975","708794","Present"
-"5-(4-Methoxyphenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","","","","","","","","","","","","","","","","","","","5-(4-Methoxyphenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","COC1=CC=C(C=C1)C2CC3(N(C4=CC=CC=C4S2)C(=NO3)C5=CC=CC=C5)C6=CC=CC=C6","JXDLBNUICLTOGW-UHFFFAOYSA-N","384264",NA,"PDBC25976","673812","Present"
-"5-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole","","","","","","","","","","","","","","","","","","","","5-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole","","COC1=CC=C(C=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC","KGCGIURDSZNLQS-UHFFFAOYSA-N","49865894",NA,"PDBC25977","748404","Present"
-"5-(4-Methoxyphenyl)-3-(4-nitrophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)isoxazole","","","","","","","","","","","","","","","","","","","","2-[5-(4-Methoxyphenyl)-3-(4-nitrophenyl)-1,2-oxazol-4-yl]-1,4,5,6-tetrahydropyrimidine","","COC1=CC=C(C=C1)C2=C(C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C4=NCCCN4","LHIYUSZRTHAPHT-UHFFFAOYSA-N","371099",NA,"PDBC25978","645046","Present"
-"5-(4-Methoxyphenyl)-3-methyl-3-penten-1-ol","","","","","","","","","","","","","","","","","","","","5-(4-Methoxyphenyl)-3-methyl-3-penten-1-ol","","CC(=CCC1=CC=C(C=C1)OC)CCO","XTFIKARQTNZFOC-QDEBKDIKSA-N","5469367",NA,"PDBC25979","687140","Present"
-"5-(4-Methoxyphenyl)-6-phenyl-3,6-dihydro-1,3,4-oxadiazin-2-one","","","","","","","","","","","","","","","","","","","","5-(4-Methoxyphenyl)-6-phenyl-3,6-dihydro-1,3,4-oxadiazin-2-one","","COC1=CC=C(C=C1)C2=NNC(=O)OC2C3=CC=CC=C3","ADHCXONASVYNDV-UHFFFAOYSA-N","322222",NA,"PDBC25980","278459","Present"
-"5-(4-Methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine","","","","","","","","","","","","","","","","","","","","5-(4-Methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine","","COC1=CC=C(C=C1)C2=C(C=NN2)NC3=CC(=C(C(=C3)OC)OC)OC","JSGVKIMYZVMKRL-UHFFFAOYSA-N","54612823",NA,"PDBC25981","747339","Present"
-"5-(4-Methoxyphenyl)furo[2,3-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","GW642125X","","COC1=CC=C(C=C1)C2=COC3=NC=NC(=C23)N","QGHMHWPBFHABJY-UHFFFAOYSA-N","5329801",NA,"PDBC25982","756295","Present"
-"5-(4-Methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","5-(4-Methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","CC1=CC=C(C=C1)CC2=NNC(=O)N2","RXGQWFHUPPCICS-UHFFFAOYSA-N","135435326",NA,"PDBC25983","686974","Present"
-"5-(4-Methylphenyl)-1,3a-diphenyl-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","","","","","","","","","","","","","","","","","","","5-(4-Methylphenyl)-1,3a-diphenyl-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","CC1=CC=C(C=C1)C2CC3(N(C4=CC=CC=C4S2)C(=NO3)C5=CC=CC=C5)C6=CC=CC=C6","YZOZNBPPPRGXPS-UHFFFAOYSA-N","384265",NA,"PDBC25984","673813","Present"
-"5-(4-Methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","3-(p-Tolyl)-1H-1,2,4-triazol-5(4H)-one","","CC1=CC=C(C=C1)C2=NNC(=O)N2","MNHXQVGGHYZRBU-UHFFFAOYSA-N","135463862",NA,"PDBC25985","678392","Present"
-"5-(4-Methylphenyl)sulfonyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pentanamide","","","","","","","","","","","","","","","","","","","","5-(4-Methylphenyl)sulfonyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pentanamide","","CC1=CC=C(C=C1)S(=O)(=O)CC(=O)CC(=O)C(=O)NC2=CC=CC(=C2)C(F)(F)F","ABILOJBOTLRSDA-UHFFFAOYSA-N","358491",NA,"PDBC25986","618499","Present"
-"5-(4-Methylpiperazino)-2-[2-(acetoxymethyl)-4,7-dimethoxy-1H-benzimidazole-5-yl]-3H-imidazo[4,5-b]pyridine","","","","","","","","","","","","","","","","","","","","[4,7-Dimethoxy-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl]methyl acetate","","CC(=O)OCC1=NC2=C(C=C(C(=C2N1)OC)C3=NC4=C(N3)C=CC(=N4)N5CCN(CC5)C)OC","ULDFBGYGONQCDE-UHFFFAOYSA-N","6712765",NA,"PDBC25987","710287","Present"
-"5-(4-Methylpiperazino)-2-[2-(hydroxymethyl)-4,7-dimethoxy-1H-benzimidazole-5-yl]-3H-imidazo[4,5-b]pyridine","","","","","","","","","","","","","","","","","","","","[4,7-Dimethoxy-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl]methanol","","CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4OC)NC(=N5)CO)OC","BARJWIXVPJSWOI-UHFFFAOYSA-N","6712766",NA,"PDBC25988","710288","Present"
-"5-(4-Methylpiperazino)-2-[2-(methoxymethyl)-4,7-dimethoxy-1H-benzimidazole-5-yl]-3H-imidazo[4,5-b]pyridine","","","","","","","","","","","","","","","","","","","","2-[4,7-Dimethoxy-2-(methoxymethyl)-3H-benzimidazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine","","CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4OC)NC(=N5)COC)OC","OZPDECQZCLFBJQ-UHFFFAOYSA-N","6712764",NA,"PDBC25989","710286","Present"
-"5-(4-Methylsulfanylphenyl)-2-phenyl-3-[5-(2,4,5-trichlorophenyl)furan-2-yl]-3,4-dihydropyrazole","","","","","","","","","","","","","","","","","","","","5-(4-Methylsulfanylphenyl)-2-phenyl-3-[5-(2,4,5-trichlorophenyl)furan-2-yl]-3,4-dihydropyrazole","","CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(O3)C4=CC(=C(C=C4Cl)Cl)Cl)C5=CC=CC=C5","VOZLQILKZRRSFN-UHFFFAOYSA-N","45027938",NA,"PDBC25990","740233","Present"
-"5-(4-Nitrophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","","","","","","","","","","","","","","","","","","","5-(4-Nitrophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine","","C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]","HIAINHVVQMZDML-UHFFFAOYSA-N","384266",NA,"PDBC25991","673814","Present"
-"5-(4-Tert-butylphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl 4-chlorobenzyl sulfide","","","","","","","","","","","","","","","","","","","","5-(4-Tert-butylphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl 4-chlorobenzyl sulfide","","CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC4=CC=C(C=C4)Cl","SJVYQRBAHIOAHW-UHFFFAOYSA-N","342553",NA,"PDBC25992","379546","Present"
-"5-(5,6-Dihydro-4H-cyclopenta[d][1,3]diselenol-2-ylidene)[1,3]dithiolo[4,5-c][1,2,5]thiadiazole","","","","","","","","","","","","","","","","","","","","5-(5,6-Dihydro-4H-cyclopenta[d][1,3]diselenol-2-ylidene)[1,3]dithiolo[4,5-c][1,2,5]thiadiazole","","C1CC2=C(C1)[Se]C(=C3SC4=NSN=C4S3)[Se]2","JLIXGAIOXLIFBL-UHFFFAOYSA-N","392908",NA,"PDBC25993","694090","Present"
-"5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-10,13-dioxa-2,4,6,8-tetrathiatricyclo[7.4.0.03,7]tridec-3(7)-ene","","","","","","","","","","","","","","","","","","","","5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-10,13-dioxa-2,4,6,8-tetrathiatricyclo[7.4.0.03,7]tridec-3(7)-ene","","C1COC2C(O1)SC3=C(S2)SC(=C4SC5=C(S4)SCCS5)S3","YUFRAYWYOAFEQR-UHFFFAOYSA-N","391121",NA,"PDBC25994","689739","Present"
-"5-(5,6-Dihydroxy-2-naphthyl)salicylic acid","","","","","","","","","","","","","","","","","","","","5-(5,6-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid","","C1=CC2=C(C=CC(=C2O)O)C=C1C3=CC(=C(C=C3)O)C(=O)O","QJRMBVHUIFAURR-UHFFFAOYSA-N","380856",NA,"PDBC25995","666596","Present"
-"5-(5,8-Dihydroxy-2-naphthyl)salicylic acid","","","","","","","","","","","","","","","","","","","","5-(5,8-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid","","C1=CC2=C(C=CC(=C2C=C1C3=CC(=C(C=C3)O)C(=O)O)O)O","GUEWNLOSODPWHP-UHFFFAOYSA-N","380857",NA,"PDBC25996","666597","Present"
-"5-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)pentyl acetate","","","","","","","","","","","","","","","","","","","","5-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)pentyl acetate","","CC(=O)OCCCCCN1C=NC(=C1N)C(=O)N","LIHFGRWIVOEQHJ-UHFFFAOYSA-N","385289",NA,"PDBC25997","676401","Present"
-"5-(5-Benzylidene-3-phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4-oxothiazolidin-2-thione","","","","","","","","","","","","","","","","","","","","5-(5-benzylidene-3-phenyl-4-oxothiazolidin-2-ylidenyl)-3...","","C1=CC=C(C=C1)C=C2C(=O)N(C(=C3C(=O)N(C(=S)S3)C4=CC=CC=C4)S2)C5=CC=CC=C5","KCDZYHUYIJJEHO-SFDFKWKJSA-N","5472512",NA,"PDBC25998","719997","Present"
-"5-(5-Chloro-2-methylphenyl)-6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazolo[3,4-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","5-(5-Chloro-2-methylphenyl)-6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazolo[3,4-d]pyrimidin-4-one","","CC1=C(C=C(C=C1)Cl)N2C(=NC3=C(C2=O)C=NN3C4=C5C=CC=C(C5=NC=C4)C(F)(F)F)C","STGHMGKZSQAMJM-UHFFFAOYSA-N","45027937",NA,"PDBC25999","740232","Present"
-"5-(5-Diazoimidazol-4-yl)-1H-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","1h-1,2,4-triazole, 3-(4-diazo-4h-imidazol-5-yl)-","","C1=NC(=[N+]=[N-])C(=N1)C2=NC=NN2","GCNHJMIFEBTWOD-UHFFFAOYSA-N","500000",NA,"PDBC26000","95448","Present"
-"5-(5-Ethyl-2-ethylsulfonyl-3-thienyl)-1,3,4-oxathiazol-2-one","","","","","","","","","","","","","","","","","","","","5-(5-Ethyl-2-ethylsulfonyl-3-thienyl)-1,3,4-oxathiazol-2-one","","CCC1=CC(=C(S1)S(=O)(=O)CC)C2=NSC(=O)O2","ISZFPBSHNMKTTE-UHFFFAOYSA-N","392970",NA,"PDBC26001","694212","Present"
-"5-(5-Phenyl-2-furyl)furan-2-carboxamidine","","","","","","","","","","","","","","","","","","","","5-(5-phenyl-2-furyl)furan-2-carboxamidine","","C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(O3)C(=N)N","NAHLSMVNTWVVPR-UHFFFAOYSA-N","155529186",NA,"PDBC26002","800291","Present"
-"5-(5-Thiophen-2-ylthiophen-2-yl)thiophene-2-carboximidamide","","","","","","","","","","","","","","","","","","","","NSC766348","","C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C(=N)N","WVFFDNRLQKSADS-UHFFFAOYSA-N","123871792",NA,"PDBC26003","766348","Present"
-"5-(6,7-Dihydroxy-2-naphthyl)salicylic acid","","","","","","","","","","","","","","","","","","","","5-(6,7-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid","","C1=CC2=CC(=C(C=C2C=C1C3=CC(=C(C=C3)O)C(=O)O)O)O","KDDWCZCIYASQHC-UHFFFAOYSA-N","380855",NA,"PDBC26004","666595","Present"
-"5-(6-Amino-2-bromo-purin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","7H-Purine-6-amine,2-bromo-7-(2-deoxy-.beta.-D-erythropen...","","C1C(C(OC1N2C=NC3=NC(=NC(=C32)N)Br)CO)O","JCSRFERGDSOOHT-UHFFFAOYSA-N","389510",NA,"PDBC26005","685797","Present"
-"5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol","","","","","","","","","","","","","","","","","","","","5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol","","CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)O","HGLRBQHXIBHZTD-UHFFFAOYSA-N","357475",NA,"PDBC26006","616360","Present"
-"5-(6-Aminopurin-9-yl)pentanoic acid","","","","","","","","","","","","","","","","","","","","Z2689172039","","C1=NC(=C2C(=N1)N(C=N2)CCCCC(=O)O)N","HJJJCCCOQLLMQD-UHFFFAOYSA-N","253167",NA,"PDBC26007","75749","Present"
-"5-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-chlorophenyl)-1,2-oxazole","","","","","","","","","","","","","","","","","","","","6-Bromo-2-chloro-3-[3-(4-chlorophenyl)isoxazol-5-yl]quinoline","","C1=CC(=CC=C1C2=NOC(=C2)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl","CEUNXCOKTDIRPE-UHFFFAOYSA-N","402201",NA,"PDBC26008","716092","Present"
-"5-(6-Mercapto-9H-purin-9-yl)pentanoic acid","","","","","","","","","","","","","","","","","","","","5-(6-Mercapto-9H-purin-9-yl)pentanoic acid","","C1=NC(=S)C2=C(N1)N(C=N2)CCCCC(=O)O","HESBYUPLTBYGLR-UHFFFAOYSA-N","3246285",NA,"PDBC26009","75747","Present"
-"5-(6-Methoxy-napht-2-yl)-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","5-(6-methoxy-napht-2-yl)-6-(3,4,5-trimethoxyphenyl)-2H-p...","","COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C(=O)OC=C3)C4=CC(=C(C(=C4)OC)OC)OC","CHNLINNFYTYYMX-UHFFFAOYSA-N","24205789",NA,"PDBC26010","736735","Present"
-"5-(8-Heptadecenyl)-3-hydroxydihydro-2(3H)-furanone","","","","","","","","","","","","","","","","","","","","5-(8-Heptadecenyl)-3-hydroxydihydro-2(3H)-furanone","","CCCCCCCCC=CCCCCCCCC1CC(C(=O)O1)O","PESDJELQYIQZBG-MDZDMXLPSA-N","5849606",NA,"PDBC26011","658584","Present"
-"5-(8-Quinolylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","US9320734, 345","","C1=CC2=C(C(=C1)S(=O)(=O)NC3=NN=C(S3)S(=O)(=O)N)N=CC=C2","FZHGBFVLVKBLAD-UHFFFAOYSA-N","394907",NA,"PDBC26012","699000","Present"
-"5-(9-Acridinyl)-6-amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","2,4-(1H,3H)-Pyrimidinedione, 6-amino-5-(9-acridinyl)-1,3...","","CN1C(=C(C(=O)N(C1=O)C)C2=C3C=CC=CC3=NC4=CC=CC=C42)N","XEJLVTZDXJPZJB-UHFFFAOYSA-N","372536",NA,"PDBC26013","647713","Present"
-"5-(9H-Pyrido[3,4-b]indol-1-yl)furan-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","5-(9H-Pyrido[3,4-b]indol-1-yl)furan-2-carbaldehyde","","C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(O4)C=O","QRFCAMFPXQKHAG-UHFFFAOYSA-N","381136",NA,"PDBC26014","667454","Present"
-"5-(9h-Xanthen-9-yl)quinolin-8-ol","","","","","","","","","","","","","","","","","","","","5-(9h-Xanthen-9-yl)quinolin-8-ol","","C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4=C5C=CC=NC5=C(C=C4)O","NPKQVSMGLRUXGZ-UHFFFAOYSA-N","233057",NA,"PDBC26015","31127","Present"
-"5-(Acridin-9-ylamino)-4,6-dinitro-1,3-dihydrobenzimidazol-2-one","","","","","","","","","","","","","","","","","","","","5-(Acridin-9-ylamino)-4,6-dinitro-1,3-dihydrobenzimidazol-2-one","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C=C5C(=C4[N+](=O)[O-])NC(=O)N5)[N+](=O)[O-]","RDKYVIGKOPILFC-UHFFFAOYSA-N","5472577",NA,"PDBC26016","720252","Present"
-"5-(Allyloxy)-6-(1-(4-methoxyphenyl)ethyl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","1,3-Benzodioxole, 5-[1-(4-methoxyphenyl)ethyl]-6-(2-prop...","","CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2OCC=C)OCO3","IZTASLRRHYCALV-UHFFFAOYSA-N","336858",NA,"PDBC26017","352692","Present"
-"5-(Aminomethyl)-1-benzyl-1H-imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-(Aminomethyl)-1-benzyl-1H-imidazole-4-carboxamide","","C1=CC=C(C=C1)CN2C=NC(=C2CN)C(=O)N","GSGPOZKOZDNVBU-UHFFFAOYSA-N","362122",NA,"PDBC26018","625655","Present"
-"5-(Aminomethyl)-3-benzyltriazol-4-amine;phosphoric acid","","","","","","","","","","","","","","","","","","","","1H-1,2,3-Triazole-4-methanamine, 5-amino-1-(phenylmethyl...","","C1=CC=C(C=C1)CN2C(=C(N=N2)CN)N.OP(=O)(O)O","BPZJJIZBDPNQII-UHFFFAOYSA-N","3246626",NA,"PDBC26019","314885","Present"
-"5-(Aminomethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione","","","","","","","","","","","","","","","","","","","","5-(Aminomethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione","","CN1C(=C(C(=O)N(C1=O)C)C=N)O","PSQJBLXBXDAINV-UHFFFAOYSA-N","351460",NA,"PDBC26020","521771","Present"
-"5-(Anthracen-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","Barbituric acid, 5-(1-anthryl-methylene)-2-thio-","","C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C=C4C(=O)NC(=S)NC4=O","VZXTYHSPZZIJRW-UHFFFAOYSA-N","3246331",NA,"PDBC26021","90737","Present"
-"5-(Azidomethyl)-7-benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","5-(Azidomethyl)-7-benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine","","CSC1=NC(=NC2=C1C(=C(N2CC3=CC=CC=C3)Br)CN=[N+]=[N-])SC","XMHIOTBEDIVQPV-UHFFFAOYSA-N","357263",NA,"PDBC26022","615451","Present"
-"5-(Benzenesulfinylmethyl)-6-bromo-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-(Benzenesulfinylmethyl)-6-bromo-1,3-benzodioxole","","C1OC2=C(O1)C=C(C(=C2)CS(=O)C3=CC=CC=C3)Br","SLKBQJLCKPDTIH-UHFFFAOYSA-N","372800",NA,"PDBC26023","648423","Present"
-"5-(Benzenesulfonyl)-5-[5-(benzenesulfonyl)-3,4-dihydropyrazol-5-yl]-3,4-dihydropyrazole","","","","","","","","","","","","","","","","","","","","5-(Benzenesulfonyl)-5-[5-(benzenesulfonyl)-3,4-dihydropyrazol-5-yl]-3,4-dihydropyrazole","","C1CN=NC1(C2(CCN=N2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","VVNMPAFXHDPBIP-UHFFFAOYSA-N","361156",NA,"PDBC26024","623988","Present"
-"5-(Benzenesulfonyl)-6-[1-(benzenesulfonyl)ethyl]-3-benzyl-8,8-dimethoxy-3-azabicyclo[2.2.2]octan-2-one","","","","","","","","","","","","","","","","","","","","2-Benzyl-7,7-dimethoxy-6-(phenylsulfonyl)-5-(1-(phenylsulfonyl)ethyl)-2-azabicyclo[2.2.2]octan-3-one","","CC(C1C2CC(C(C1S(=O)(=O)C3=CC=CC=C3)N(C2=O)CC4=CC=CC=C4)(OC)OC)S(=O)(=O)C5=CC=CC=C5","WVPBYIUYYAHSEX-UHFFFAOYSA-N","373095",NA,"PDBC26025","649015","Present"
-"5-(Benzenesulfonylmethyl)-3-hydroxy-tetrahydrofuran-2-one","","","","","","","","","","","","","","","","","","","","5-(Benzenesulfonylmethyl)-3-hydroxy-tetrahydrofuran-2-one","","C1C(OC(=O)C1O)CS(=O)(=O)C2=CC=CC=C2","JHSRSXPMCNRLSD-UHFFFAOYSA-N","390944",NA,"PDBC26026","689197","Present"
-"5-(Benzothiazol-2-ylsulfanyl)-5-(4-chloro-phenyl)-2-cyano-pe nta-2,4-dienoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","5-(Benzothiazol-2-ylsulfanyl)-5-(4-chloro-phenyl)-2-cyan...","","CCOC(=O)C(=CC=C(C1=CC=C(C=C1)Cl)SC2=NC3=CC=CC=C3S2)C#N","YNGHCTKDAMUIKL-OZKBIJRCSA-N","24203419",NA,"PDBC26027","727950","Present"
-"5-(Benzoylcarbamothioylamino)-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-(Benzoylcarbamothioylamino)-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide","","C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(N=CN2C3C(C(C(O3)CO)O)O)C(=O)N","MIUNBHQVJPEDHM-UHFFFAOYSA-N","3004412",NA,"PDBC26028","651247","Present"
-"5-(Benzoyloxy)-7-methyl-3-octynyl benzoate","","","","","","","","","","","","","","","","","","","","5-(Benzoyloxy)-7-methyl-3-octynyl benzoate","","CC(C)CC(C#CCCOC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2","ONXLYCNPIAFKGG-UHFFFAOYSA-N","379014",NA,"PDBC26029","662778","Present"
-"5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile","","","","","","","","","","","","","","","","","","","","SC-62055","","C1CCN(C1)C2=NSC(=C2C#N)NCC3=CC=CC=C3","VHEWDTRKTBBPOH-UHFFFAOYSA-N","382961",NA,"PDBC26030","670865","Present"
-"5-(Benzylideneamino)-2,6-dimethyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","5-(Benzylideneamino)-2,6-dimethyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","","CC1=NC2=NN(C=C2C(=O)N1N=CC3=CC=CC=C3)C","BSJWZIDTGSKZCY-OVCLIPMQSA-N","9571386",NA,"PDBC26031","651603","Present"
-"5-(Benzyloxy)-6,7-dimethoxy-1-(3-methoxyphenyl)isoquinoline","","","","","","","","","","","","","","","","","","","","5-(Benzyloxy)-6,7-dimethoxy-1-(3-methoxyphenyl)isoquinoline","","COC1=CC=CC(=C1)C2=NC=CC3=C(C(=C(C=C32)OC)OC)OCC4=CC=CC=C4","QJXHEJLNIVHTGG-UHFFFAOYSA-N","363319",NA,"PDBC26032","628139","Present"
-"5-(Bis(phenylthio)methyl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-(Bis(phenylthio)methyl)-1,3-benzodioxole","","C1OC2=C(O1)C=C(C=C2)C(SC3=CC=CC=C3)SC4=CC=CC=C4","CTZRGBQIQAQJIM-UHFFFAOYSA-N","237752",NA,"PDBC26033","41550","Present"
-"5-(Bromo(diphenyl)stannyl)-1,2-pentanediol","","","","","","","","","","","","","","","","","","","","5-(Bromo(diphenyl)stannyl)-1,2-pentanediol","","C1=CC=C(C=C1)[Sn](CCCC(CO)O)(C2=CC=CC=C2)Br","CMNJYRYJSUJZMX-UHFFFAOYSA-M","363587",NA,"PDBC26034","628583","Present"
-"5-(Bromomethyl)-2,4,6-trichloropyrimidine","","","","","","","","","","","","","","","","","","","","CS-0045592","","C(C1=C(N=C(N=C1Cl)Cl)Cl)Br","MTJKSXNANQVPIO-UHFFFAOYSA-N","231053",NA,"PDBC26035","26539","Present"
-"5-(Bromomethyl)-4,6-dichloro-2-methylpyrimidine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 5-(bromomethyl)-4,6-dichloro-2-methyl-","","CC1=NC(=C(C(=N1)Cl)CBr)Cl","QWXHEBBKNUXONN-UHFFFAOYSA-N","237260",NA,"PDBC26036","40594","Present"
-"5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid","","C1=NC(=C(N1)CC(=O)O)C(=O)O","YYCWYISTCZGNPF-UHFFFAOYSA-N","237120",NA,"PDBC26037","40384","Present"
-"5-(Chloromethyl)-2,6-dihydroxy-4-pyrimidinecarbaldehyde","","","","","","","","","","","","","","","","","","","","5-(Chloromethyl)-2,6-dihydroxy-4-pyrimidinecarbaldehyde","","C(C1=C(NC(=O)NC1=O)C=O)Cl","LIYSTICONMDDEZ-UHFFFAOYSA-N","381323",NA,"PDBC26038","667844","Present"
-"5-(Chloromethyl)-8-quinolinol hydrochloride","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 5-(chloromethyl)-, hydrochloride","","C1=CC2=C(C=CC(=C2N=C1)O)CCl.Cl","BDQGTRWOFVSOQX-UHFFFAOYSA-N","12269596",NA,"PDBC26039","83066","Present"
-"5-(Cyclohexylcarbonyl)-1-methyl-2(1H)-pyridinone","","","","","","","","","","","","","","","","","","","","5-(Cyclohexylcarbonyl)-1-methyl-2(1H)-pyridinone","","CN1C=C(C=CC1=O)C(=O)C2CCCCC2","QTNCLPSGGBUFTI-UHFFFAOYSA-N","370863",NA,"PDBC26040","644596","Present"
-"5-(Cyclopropylamino)-5H-[1]benzopyrano[4,3-d]pyrimidine-2-amine","","","","","","","","","","","","","","","","","","","","5-(Cyclopropylamino)-5H-[1]benzopyrano[4,3-d]pyrimidine-2-amine","","C1CC1NC2C3=CN=C(N=C3C4=CC=CC=C4O2)N","OWALIUZJENNSDY-UHFFFAOYSA-N","390590",NA,"PDBC26041","688113","Present"
-"5-(Cyclopropylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","5-(Cyclopropylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione","","C1CC1C=C2C(=O)NC(=S)NC2=O","YWPFYVBVXKFQLX-UHFFFAOYSA-N","3779937",NA,"PDBC26042","645853","Present"
-"5-(Diaminomethylideneamino)-2-[(10-methyl-9-oxoacridine-4-carbonyl)amino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-[(10-methyl-9-oxo-acridine-4-carbonyl)amino]pentanoic acid","","CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)O","BJODGLCFZGOYQP-UHFFFAOYSA-N","393797",NA,"PDBC26043","696565","Present"
-"5-(Diaminomethylideneamino)-2-[(10-methylacridin-10-ium-9-carbonyl)amino]pentanoic acid;methyl sulfate","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-[(10-methylacridin-10-ium-9-carbonyl)amino]pentanoic acid; methyl sulfate","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC(CCCN=C(N)N)C(=O)O.COS(=O)(=O)[O-]","MIVGLQUBVZOJLH-UHFFFAOYSA-N","393804",NA,"PDBC26044","696570","Present"
-"5-(Diaminomethylideneamino)-2-[(9-oxo-10H-acridine-4-carbonyl)amino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-[(9-oxo10h-acridine-4-carbonyl)amino]pentanoic acid","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)O","BXUDSAPVYRKZCP-UHFFFAOYSA-N","392349",NA,"PDBC26045","692633","Present"
-"5-(Diaminomethylideneamino)-2-[[4-[2-(dimethylamino)ethylcarbamoyl]-10-methylacridin-10-ium-9-yl]amino]pentanoic acid;methyl sulfate","","","","","","","","","","","","","","","","","","","","5-(Diaminomethylideneamino)-2-[[4-[2-(dimethylamino)ethylcarbamoyl]-10-methylacridin-10-ium-9-yl]amino]pentanoic acid;methyl sulfate","","C[N+]1=C2C(=C(C3=CC=CC=C31)NC(CCCN=C(N)N)C(=O)O)C=CC=C2C(=O)NCCN(C)C.COS(=O)(=O)[O-]","WXUBFCVFVIKQGS-UHFFFAOYSA-N","393800",NA,"PDBC26046","696568","Present"
-"5-(Diaminomethylideneamino)-2-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]pentanoic acid","","","","","","","","","","","","","","","","","","","","2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-5-guanidino-pentanoic acid","","CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CCCN=C(N)N)C(=O)O","CGDAZLQATRHGFV-UHFFFAOYSA-N","392354",NA,"PDBC26047","692638","Present"
-"5-(Diethylamino)-2-[2-[[4-(diethylamino)-2-oxidophenyl]methylideneamino]ethyliminomethyl]phenolate;manganese(3+);acetate","","","","","","","","","","","","","","","","","","","","5-(Diethylamino)-2-[2-[[4-(diethylamino)-2-oxidophenyl]methylideneamino]ethyliminomethyl]phenolate;manganese(3+);acetate","","CCN(CC)C1=CC(=C(C=C1)C=NCCN=CC2=C(C=C(C=C2)N(CC)CC)[O-])[O-].CC(=O)[O-].[Mn+3]","FPDLFTKMPGLPIT-UHFFFAOYSA-K","369986",NA,"PDBC26048","642508","Present"
-"5-(Diethylamino)spiro[1,3,4,8b-tetrahydrobiphenylene-2,2'-1,3-dioxepane]-4a-ol","","","","","","","","","","","","","","","","","","","","5-(diethylamino)spiro[1,3,4,8b-tetrahydrobiphenylene-2,2'-1,3-dioxepane]-4a-ol","","CCN(CC)C1=CC=CC2=C1C3(C2CC4(CC3)OCCCCO4)O","ODPASZXSVHFLOL-UHFFFAOYSA-N","375521",NA,"PDBC26049","655300","Present"
-"5-(Diethylaminomethyl)-N-(4-methylphenyl)thiophene-2-carbothioamide","","","","","","","","","","","","","","","","","","","","5-(Diethylaminomethyl)-N-(4-methylphenyl)thiophene-2-carbothioamide","","CCN(CC)CC1=CC=C(S1)C(=S)NC2=CC=C(C=C2)C","VGZSDIDFADXVJC-UHFFFAOYSA-N","5471261",NA,"PDBC26050","710018","Present"
-"5-(Dimethoxymethyl)-6-(2-methoxyvinyl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-(Dimethoxymethyl)-6-(2-methoxyvinyl)-1,3-benzodioxole","","COC=CC1=CC2=C(C=C1C(OC)OC)OCO2","JDDUFNBYIHNLAO-SNAWJCMRSA-N","5386778",NA,"PDBC26051","617640","Present"
-"5-(Dimethoxymethyl)spiro[1,3,4,8b-tetrahydrobiphenylene-2,2'-1,3-dioxepane]-4a-ol","","","","","","","","","","","","","","","","","","","","5-(dimethoxymethyl)spiro[1,3,4,8b-tetrahydrobiphenylene-2,2'-1,3-dioxepane]-4a-ol","","COC(C1=CC=CC2=C1C3(C2CC4(CC3)OCCCCO4)O)OC","ZDHOWHXLBAQMIZ-UHFFFAOYSA-N","375529",NA,"PDBC26052","655308","Present"
-"5-(Dimethyl(phenyl)silyl)-1,3-cyclohexanedione","","","","","","","","","","","","","","","","","","","","AMACUKQNHLZFPY-UHFFFAOYSA-N","","C[Si](C)(C1CC(=O)CC(=O)C1)C2=CC=CC=C2","AMACUKQNHLZFPY-UHFFFAOYSA-N","365024",NA,"PDBC26053","631959","Present"
-"5-(Dimethylamino)-2-((isopropylsulfonyl)oxy)-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","1H-Isoindole-1,3(2H)-dione, 5-(dimethylamino)-, 2-[[(1-m...","","CC(C)S(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)N(C)C","XXQKIOMUHMJYFB-UHFFFAOYSA-N","364534",NA,"PDBC26054","630956","Present"
-"5-(Dimethylaminomethyl)-4,5-dihydrooxazol-2-amine","","","","","","","","","","","","","","","","","","","","5-(Dimethylaminomethyl)-4,5-dihydrooxazol-2-amine","","CN(C)CC1CN=C(O1)N","BRZARNCNCQHFGP-UHFFFAOYSA-N","396439",NA,"PDBC26055","702412","Present"
-"5-(Dimethylaminomethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione","","","","","","","","","","","","","","","","","","","","5-(Dimethylaminomethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione","","CN1C(=O)C(=CN(C)C)C(=O)N(C1=O)C","MKPRCBKEKIEJMJ-UHFFFAOYSA-N","319885",NA,"PDBC26056","265536","Present"
-"5-(Diphenylmethyl)-4H-1,2,4-triazole-3-thiol","","","","","","","","","","","","","","","","","","","","STK394275","","C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NC(=S)NN3","KXOBDTBTPWCGCP-UHFFFAOYSA-N","3004171",NA,"PDBC26057","634497","Present"
-"5-(Formylamino)-1,2,3-thiadiazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","STL436984","","C(=O)NC1=C(N=NS1)C(=O)N","GUNHXXAAPQZGMH-UHFFFAOYSA-N","389961",NA,"PDBC26058","686664","Present"
-"5-(Hexanoylamino)-1H-1,2,3-triazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","N-(5-Cyano-1H-1,2,3-triazol-4-yl)hexanamide","","CCCCCC(=O)NC1=NNN=C1C#N","HUUXGMFZJBZFJU-UHFFFAOYSA-N","385090",NA,"PDBC26059","676017","Present"
-"5-(Hydrazinesulfonyl)benzene-1,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","RTX-012089","","C1=C(C=C(C=C1C(=O)O)S(=O)(=O)NN)C(=O)O","UWALZFACAZHTQM-UHFFFAOYSA-N","274548",NA,"PDBC26060","120634","Present"
-"5-(Hydroxy(oxido)amino)-3,4-diphenyl-2-furamide","","","","","","","","","","","","","","","","","","","","5-(Hydroxy(oxido)amino)-3,4-diphenyl-2-furamide","","C1=CC=C(C=C1)C2=C(OC(=C2C3=CC=CC=C3)[N+](=O)[O-])C(=O)N","DJBRPVCAYZZUSS-UHFFFAOYSA-N","338739",NA,"PDBC26061","362637","Present"
-"5-(Hydroxymethyl)-11-methyl-6H-pyrido(4,3-b)carbazole N-methylcarbamate","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazole, 5-hydroxymethyl-11-methyl-, N...","","CC1=C2C=NC=CC2=C(C3=C1C4=CC=CC=C4N3)COC(=O)NC","JEURWCFQOJUTQI-UHFFFAOYSA-N","130066",NA,"PDBC26062","610190","Present"
-"5-(Hydroxymethyl)-2-[6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]tetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","5-(Hydroxymethyl)-2-[6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]tetrahydrofuran-3-ol","","CC(CC1=CC=CC=C1)NC2=C3C(=NC=N2)N(C=N3)C4C(CC(O4)CO)O","BFXHWITVJAUCOT-UHFFFAOYSA-N","496402",NA,"PDBC26063","688537","Present"
-"5-(Hydroxymethyl)-4-(methoxymethyl)-2-methyl-3-pyridinyl hexopyranoside","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-6-[5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-yl]oxyoxane-3,4,5-triol","","CC1=NC=C(C(=C1OC2C(C(C(C(O2)CO)O)O)O)COC)CO","OZAMFSFIKVSAHM-UHFFFAOYSA-N","367862",NA,"PDBC26064","638029","Present"
-"5-(Hydroxymethyl)-4-[[2-[[5-(hydroxymethyl)-2-methyl-3-oxido-pyridin-4-yl]methylideneamino]-4,5-dimethyl-phenyl]iminomethyl]-2-methyl-pyridin-3-olate; zinc(+2) cation","","","","","","","","","","","","","","","","","","","","4-[[2-[[3-Hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]-4,5-dimethylphenyl]iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;zinc","","CC1=CC(=C(C=C1C)N=CC2=C(C(=NC=C2CO)C)O)N=CC3=C(C(=NC=C3CO)C)O.[Zn]","AJXVDQHGXXUGID-UHFFFAOYSA-N","434431",NA,"PDBC26065","350363","Present"
-"5-(Hydroxymethyl)-4-triisopropylsilyloxy-bicyclo[2.2.2]octan-3-ol","","","","","","","","","","","","","","","","","","","","5-(Hydroxymethyl)-4-triisopropylsilyloxy-bicyclo[2.2.2]octan-3-ol","","CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1CO)CC2O","YONZTXUKJXVFES-UHFFFAOYSA-N","393382",NA,"PDBC26066","695215","Present"
-"5-(Hydroxymethyl)spiro[1,3-dihydroindene-2,2'-3,5,6,7-tetrahydro-1H-s-indacene]-1'-ol","","","","","","","","","","","","","","","","","","","","Spiro[s-indacene-2(1H),2'-[2H]indene]-1-ol, 3,5,6,7,1',3...","","C1CC2=CC3=C(C=C2C1)C(C4(C3)CC5=C(C4)C=C(C=C5)CO)O","BSHZCNKXGSJSNV-UHFFFAOYSA-N","385707",NA,"PDBC26067","677053","Present"
-"5-(Hydroxymethyl)thieno[3,2-f]benzothiophene-4,8-dione","","","","","","","","","","","","","","","","","","","","5-(Hydroxymethyl)thieno[3,2-f]benzothiophene-4,8-dione","","C1=CSC2=C1C(=O)C3=C(C2=O)SC=C3CO","FNFXJHXQHUZVLI-UHFFFAOYSA-N","393648",NA,"PDBC26068","695913","Present"
-"5-(Iodomethyl)-N-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-(Iodomethyl)-N-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1,3-thiazol-2-amine","","C1C(SC(=N1)NC2=CC=CC(=C2)C(F)(F)F)CI","OAPJXVNUDRFACE-UHFFFAOYSA-N","389121",NA,"PDBC26069","684806","Present"
-"5-(Methoxymethoxy)pent-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","5-(Methoxymethoxy)pent-2-yn-1-ol","","COCOCCC#CCO","RVYRWHDMPCKJID-UHFFFAOYSA-N","357773",NA,"PDBC26070","617296","Present"
-"5-(Methoxymethyl)-6-[(E)-2-nitrovinyl]-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-(Methoxymethyl)-6-[(E)-2-nitrovinyl]-1,3-benzodioxole","","COCC1=CC2=C(C=C1C=C[N+](=O)[O-])OCO2","GTWAMVYOTJMGHJ-NSCUHMNNSA-N","5470338",NA,"PDBC26071","699777","Present"
-"5-(Methyloxime)-3-(4-methylphenyl)-isoxazole","","","","","","","","","","","","","","","","","","","","5-(methyloxime)-3-(4-methylphenyl)-isoxazole","","CC1=CC=C(C=C1)C2=NOC(=C2)C=NO","GFPHOIZCZHKQIZ-KPKJPENVSA-N","135436429",NA,"PDBC26072","723507","Present"
-"5-(Methylthio)-1H-imidazole-4-carbothioamide","","","","","","","","","","","","","","","","","","","","5-(Methylthio)-1H-imidazole-4-carbothioamide","","CSC1=C(NC=N1)C(=S)N","LEDMGHFJOFGXGH-UHFFFAOYSA-N","3005221",NA,"PDBC26073","684041","Present"
-"5-(Morpholin-4-ylmethyl)-3-[(Z)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]-1,3-oxazolidin-2-one","","","","","","","","","","","","","","","","","","","","5-(Morpholin-4-ylmethyl)-3-[(Z)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]-1,3-oxazolidin-2-one","","CC(=NN1CC(OC1=O)CN2CCOCC2)C=CC3=CC=C(O3)[N+](=O)[O-]","CMVOURRLBQVUFZ-MLIGFJTESA-N","5922444",NA,"PDBC26074","21622","Present"
-"5-(Morpholinomethyl)-2-thiouracil","","","","","","","","","","","","","","","","","","","","ZX-AT017754","","C1COCCN1CC2=CNC(=S)NC2=O","BGEPLLSIVTXHKF-UHFFFAOYSA-N","3021532",NA,"PDBC26075","708941","Present"
-"5-(N-(Tert-Butyl)-3-(3,4-dichlorophenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazole-2-carbothioamide","","","","","","","","","","","","","","","","","","","","5-[(E)-N-(Tert-butylamino)-C-[(E)-2-(3,4-dichlorophenyl)ethenyl]carbonimidoyl]-4-methyl-1,3-thiazole-2-carbothioamide","","CC1=C(SC(=N1)C(=S)N)C(=NNC(C)(C)C)C=CC2=CC(=C(C=C2)Cl)Cl","IGKLNQOKDASSRH-QLBRXNFHSA-N","5849298",NA,"PDBC26076","649832","Present"
-"5-(Naphthalen-1-yl)-1-phenyl-1h-tetrazole","","","","","","","","","","","","","","","","","","","","5-(Naphthalen-1-yl)-1-phenyl-1h-tetrazole","","C1=CC=C(C=C1)N2C(=NN=N2)C3=CC=CC4=CC=CC=C43","VXVWZSOAJZOYJH-UHFFFAOYSA-N","232850",NA,"PDBC26077","30813","Present"
-"5-(Naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole","","","","","","","","","","","","","","","","","","","","5-(naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole","","COC1=CC(=CC(=C1OC)OC)N2C=NC=C2C3=CC4=CC=CC=C4C=C3","VQIFHAGEERVOKJ-UHFFFAOYSA-N","24205849",NA,"PDBC26078","736992","Present"
-"5-(Phenyldiazenyl)-4-pyrenol","","","","","","","","","","","","","","","","","","","","5-(Phenyldiazenyl)-4-pyrenol","","C1=CC=C(C=C1)NN=C2C3=CC=CC4=C3C5=C(C=CC=C5C2=O)C=C4","BBGPNAYRLFLIKB-FLFQWRMESA-N","5880442",NA,"PDBC26079","97750","Present"
-"5-(Phenylhydrazinylidene)cyclohepta-3,6-diene-1,2-dione","","","","","","","","","","","","","","","","","","","","5-(Phenyldiazenyl)tropolone","","C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)O","LWPCHBVDMXCYNP-UHFFFAOYSA-N","344925",NA,"PDBC26080","402083","Present"
-"5-(Phenylmethoxymethyl)-7-(1-pyrrolidinylmethyl)-8-quinolinol","","","","","","","","","","","","","","","","","","","","5-((benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-...","","C1CCN(C1)CC2=CC(=C3C=CC=NC3=C2O)COCC4=CC=CC=C4","LTGLGIQQZXSLLF-UHFFFAOYSA-N","3426979",NA,"PDBC26081","782181","Present"
-"5-(Phenylsulfanylmethyl)-9-prop-1-ynyl-2-oxa-4-azabicyclo[3.3.1]nonan-3-one","","","","","","","","","","","","","","","","","","","","5-(Phenylsulfanylmethyl)-9-prop-1-ynyl-2-oxa-4-azabicyclo[3.3.1]nonan-3-one","","CC#CC1C2CCCC1(NC(=O)O2)CSC3=CC=CC=C3","DBWGVWQPISWTRC-UHFFFAOYSA-N","358274",NA,"PDBC26082","618218","Present"
-"5-(Quinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5-(Quinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride","","C1=CC=C2C(=C1)C=CC(=N2)C=C3C(=O)NC(=S)NC3=O.Cl","IULYRWTYTJAVGX-UHFFFAOYSA-N","5466952",NA,"PDBC26083","645854","Present"
-"5-(Thiadiazol-4-yl)thiadiazole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-(Thiadiazol-4-yl)thiadiazole-4-carboxylic acid","","C1=C(N=NS1)C2=C(N=NS2)C(=O)O","HJLSGKWGJGXWDF-UHFFFAOYSA-N","266333",NA,"PDBC26084","103773","Present"
-"5-(Trifluoromethyl)-7-(trifluoroacetyl)-2,3-dihydro-1H-naphtho[1,2-e][1,4]diazepine","","","","","","","","","","","","","","","","","","","","5-(Trifluoromethyl)-7-(trifluoroacetyl)-2,3-dihydro-1H-naphtho[1,2-e][1,4]diazepine","","C1CN=C(C2=C(N1)C3=CC=CC=C3C(=C2)C(=O)C(F)(F)F)C(F)(F)F","OWVRHSXEAZMHNE-UHFFFAOYSA-N","135426734",NA,"PDBC26085","713215","Present"
-"5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide","","C1(=NN=C(S1)S(=O)(=O)N)NS(=O)(=O)C(F)(F)F","JHGJJWFACYMJQC-UHFFFAOYSA-N","395814",NA,"PDBC26086","700705","Present"
-"5-(Triphenylstannyl)-1,2-pentanediol","","","","","","","","","","","","","","","","","","","","5-(Triphenylstannyl)-1,2-pentanediol","","C1=CC=C(C=C1)[Sn](CCCC(CO)O)(C2=CC=CC=C2)C3=CC=CC=C3","ZKNLSHBGOYBBHJ-UHFFFAOYSA-N","363586",NA,"PDBC26087","628582","Present"
-"5-(Trityloxy)-2-pentanol","","","","","","","","","","","","","","","","","","","","5-(Trityloxy)-2-pentanol","","CC(CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O","MSICOSWQOQACHW-UHFFFAOYSA-N","371698",NA,"PDBC26088","646148","Present"
-"5-(m-Chloro)benzylbarbituric Acid","","","","","","","","","","","","","","","","","","","","5-(m-Chloro)benzylbarbituric Acid","","C1=CC(=CC(=C1)Cl)CC2C(=O)NC(=O)NC2=O","PUIFVWYXDKEJMP-UHFFFAOYSA-N","389354",NA,"PDBC26089","685358","Present"
-"5-(m-Methoxy)benzylbarbituric Acid","","","","","","","","","","","","","","","","","","","","5-(m-Methoxy)benzylbarbituric Acid","","COC1=CC=CC(=C1)CC2C(=O)NC(=O)NC2=O","CFUKTJJTJRNUJB-UHFFFAOYSA-N","389353",NA,"PDBC26090","685356","Present"
-"5-(p-Aminobenzyl)-6-aminouracil","","","","","","","","","","","","","","","","","","","","5-(p-Aminobenzyl)-6-aminouracil","","C1=CC(=CC=C1CC2=C(NC(=O)NC2=O)N)N","BDDDMPONZRBSHW-UHFFFAOYSA-N","389516",NA,"PDBC26091","685807","Present"
-"5-(p-Anisylidene-3-phenyl-4-oxothiazolidenyl-3-phenyl-4-oxothiazolidin-2-thione","","","","","","","","","","","","","","","","","","","","5-(p-anisylidene-3-phenyl-4-oxothiazolidenyl-3-phenyl-4-...","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=C3C(=O)N(C(=S)S3)C4=CC=CC=C4)S2)C5=CC=CC=C5","PTQKVEMIKFHZHU-ZQFJFUDDSA-N","5472514",NA,"PDBC26092","719999","Present"
-"5-(p-Chlorobenzylidene)-3-phenyl-2-[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidenehydrazono]thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-(p-chlorobenzylidene)-3-phenyl-2-[(1-phenyl-3,5- dimet...","","CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN=C3N(C(=O)C(=CC4=CC=C(C=C4)Cl)S3)C5=CC=CC=C5","CFANTLXTUQINTO-RCZXBRRHSA-N","9572522",NA,"PDBC26093","720057","Present"
-"5-(p-Chlorophenyl)-6,3-c)pyridin-7-one","","","","","","","","","","","","","","","","","","","","5-(p-chlorophenyl)-6,7-dihidrotieno(2,3-c)pyridin-7-one","","C1=CC(=CC=C1C2=CC3=C(C(=O)N2)SC=C3)Cl","AZAFYOBDPHBAFY-UHFFFAOYSA-N","404696",NA,"PDBC26094","721140","Present"
-"5-(p-Nitrophenylazo)salicylic acid sodium salt","","","","","","","","","","","","","","","","","","","","sodium p-nitrobenzeneazosalicylate","","C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)[N+](=O)[O-].[Na+]","HXKKTXMJSVFQSL-UHFFFAOYSA-N","135436502",NA,"PDBC26095","4895","Present"
-"5-(trans-2-Carboxyvinyl)-uracil","","","","","","","","","","","","","","","","","","","","W-203158","","C1=C(C(=O)NC(=O)N1)C=CC(=O)O","HFEXWXMEGUJTQB-OWOJBTEDSA-N","869183",NA,"PDBC26096","232002","Present"
-"5-({[4-(1,4,6(1H,3H,5H)-Trione","","","","","","","","","","","","","","","","","","","","5-({[4-(1,3-benzoxazol-2-yl)phenyl]amino}methylene)pyrim...","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N=CC4=C(NC(=O)NC4=O)O","JXCWRPICUGKLBP-UHFFFAOYSA-N","135585463",NA,"PDBC26097","729797","Present"
-"5-Acetamido-1-(2-hydroxyethyl)imidazole-4-carboximidoyl cyanide","","","","","","","","","","","","","","","","","","","","5-Acetamido-1-(2-hydroxyethyl)imidazole-4-carboximidoyl cyanide","","CC(=O)NC1=C(N=CN1CCO)C(=N)C#N","XRAMWFICARAAEO-UHFFFAOYSA-N","382609",NA,"PDBC26098","670250","Present"
-"5-Acetamido-2-[2-[6-[(E,2S,3R)-2-azido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-Acetamido-2-[2-[6-[(E,2S,3R)-2-azido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-c","","CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)N=[N+]=[N-])O","KEFUAQNAAZVOFP-ZURXEJFCSA-N","5468565",NA,"PDBC26099","671689","Present"
-"5-Acetamido-2-[3-(2-aminoethylsulfanyl)propoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-Acetamido-2-[3-(2-aminoethylsulfanyl)propoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid","","CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCCCSCCN)O","LYIDDWUBUGYEMN-UHFFFAOYSA-N","364739",NA,"PDBC26100","631408","Present"
-"5-Acetoxymethyl-2-hydroxy-benzaldehyde","","","","","","","","","","","","","","","","","","","","Benzaldehyde, 5-[(acetyloxy)methyl]-2-hydroxy-","","CC(=O)OCC1=CC(=C(C=C1)O)C=O","ABDFNKIESMYSDT-UHFFFAOYSA-N","333488",NA,"PDBC26101","334704","Present"
-"5-Acetoxypalisadin B","","","","","","","","","","","","","","","","","","","","5-Acetoxypalisadin B","","CC1=CC(C2C(C(CCC2(OC1CBr)C)Br)(C)C)OC(=O)C","SHAOOENYDOJZIP-MDLJMBGESA-N","395002",NA,"PDBC26102","699123","Present"
-"5-Acetyl-1,3,4-tetrakis(p-tolyl)bicyclo[2.2.1]hept-2-ene S-oxide","","","","","","","","","","","","","","","","","","","","5-acetyl-1,2,3,4-tetrakis(p-tolyl)bicyclo[2.2.1]hept-2-e...","","CC1=CC=C(C=C1)C2=C(C3(C(CC2(S3=O)C4=CC=C(C=C4)C)C(=O)C)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C","PJYZCZILKJORNU-UHFFFAOYSA-N","24205270",NA,"PDBC26103","734876","Present"
-"5-Acetyl-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidin-4-one","","","","","","","","","","","","","","","","","","","","5-Acetyl-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-thioxo-pyrimidin-4-one","","CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCC4","VFNYLORIPQNJFK-UHFFFAOYSA-N","396729",NA,"PDBC26104","703439","Present"
-"5-Acetyl-1-(4-chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Acetyl-1-(4-chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3-carbonitrile","","CC(=O)C1=C(N(C(=O)C(=C1SC)C#N)C2=CC=C(C=C2)Cl)O","QJZUXANUTGNGPR-UHFFFAOYSA-N","392140",NA,"PDBC26105","692020","Present"
-"5-Acetyl-2,6-bis(diethylamino)-4-oxo-N-(2-pyridinyl)-4H-pyran-3-carboxamide","","","","","","","","","","","","","","","","","","","","5-Acetyl-2,6-bis(diethylamino)-4-oxo-N-(2-pyridinyl)-4H-pyran-3-carboxamide","","CCN(CC)C1=C(C(=O)C(=C(O1)N(CC)CC)C(=O)NC2=CC=CC=N2)C(=O)C","VLNLNLKEQJOCPM-UHFFFAOYSA-N","367818",NA,"PDBC26106","637893","Present"
-"5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole","","","","","","","","","","","","","","","","","","","","5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole","","CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C","KFCXPECMXMNCRG-UHFFFAOYSA-N","376952",NA,"PDBC26107","658147","Present"
-"5-Acetyl-2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-2-pyridyl]disulfanyl]-4-(4-chlorophenyl)-6-methyl-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Acetyl-2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methylpyridin-2-yl]disulfanyl]-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile","","CC1=C(C(=C(C(=N1)SSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)Cl)C(=O)C)C)C#N)C4=CC=C(C=C4)Cl)C(=O)C","NRGXHZADCWXWJI-UHFFFAOYSA-N","380529",NA,"PDBC26108","666142","Present"
-"5-Acetyl-2-hydroxy-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Acetyl-2-hydroxy-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3-carbonitrile","","CC1=CC=C(C=C1)N2C(=C(C(=C(C2=O)C#N)SC)C(=O)C)O","WBKOBLUIKMKUTC-UHFFFAOYSA-N","392153",NA,"PDBC26109","692033","Present"
-"5-Acetyl-3,4-bis(4-chlorophenyl)-6(1H)-pyridazinone","","","","","","","","","","","","","","","","","","","","5-acetyl-3,4-bis(4-chlorophenyl)-6(1H)-pyridazinone","","CC(=O)C1=C(C(=NNC1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","VEKTYHRMOKSDMU-UHFFFAOYSA-N","439087",NA,"PDBC26110","719570","Present"
-"5-Acetyl-3-amino-6-methyl-N-naphthalen-1-ylthieno[2,3-b]pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-acetyl-3-amino-6-methyl-N-(naphthalen-1-yl)thieno[2,3-...","","CC1=C(C=C2C(=C(SC2=N1)C(=O)NC3=CC=CC4=CC=CC=C43)N)C(=O)C","SUMCUKGTHJMNLG-UHFFFAOYSA-N","155812517",NA,"PDBC26111","794196","Present"
-"5-Acetyl-4-(2-furyl)-6-phenyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-(furan-2-yl)-6-phenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC(=O)C1=C(N(C(=S)C(=C1C2=CC=CO2)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","GYVNAZBJYGFDPO-UHFFFAOYSA-N","381217",NA,"PDBC26112","667553","Present"
-"5-Acetyl-4-(4-chlorophenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-(4-chlorophenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile","","CC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)Cl)C#N)S)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","GOBIKVVJNRVUBD-UHFFFAOYSA-N","385429",NA,"PDBC26113","676609","Present"
-"5-Acetyl-4-(4-chlorophenyl)-6-phenyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC667545///NSC667549","","CC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","DBCGVOVTFXWQQV-UHFFFAOYSA-N","381211",NA,"PDBC26114","667545///667549","Present"
-"5-Acetyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile","","CC1=C(C(C(=C(N1C2C(C(C(C(O2)CO)O)O)O)S)C#N)C3=CC=C(C=C3)OC)C(=O)C","MOKDCOFWEUXMAT-UHFFFAOYSA-N","385428",NA,"PDBC26115","676608","Present"
-"5-Acetyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile","","CC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)OC)C#N)S)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","NCJDOAWFILBTLX-UHFFFAOYSA-N","385427",NA,"PDBC26116","676607","Present"
-"5-Acetyl-4-amino-2-(4-methoxyanilino)-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-amino-2-(4-methoxyanilino)-N-phenyl-1H-pyrrole-3-carbothioamide","","CC(=O)C1=C(C(=C(N1)NC2=CC=C(C=C2)OC)C(=S)NC3=CC=CC=C3)N","AUGNKZZHJKWSRQ-UHFFFAOYSA-N","5472828",NA,"PDBC26117","721877","Present"
-"5-Acetyl-4-amino-2-(4-methylanilino)-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-amino-2-(4-methylanilino)-N-phenyl-1H-pyrrole-3-carbothioamide","","CC1=CC=C(C=C1)NC2=C(C(=C(N2)C(=O)C)N)C(=S)NC3=CC=CC=C3","GEPQJIYVENTJRF-UHFFFAOYSA-N","5472827",NA,"PDBC26118","721876","Present"
-"5-Acetyl-4-amino-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-amino-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide","","CC(=O)C1=C(C(=C(N1)NCC2=CC=CC=C2)C(=S)NC3=CC=CC=C3)N","RYWIOEVALJHGGP-UHFFFAOYSA-N","5472829",NA,"PDBC26119","721878","Present"
-"5-Acetyl-4-amino-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-amino-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide","","CC(C)NC1=C(C(=C(N1)C(=O)C)N)C(=S)NC2=CC=CC=C2","INLDOJMEBAEMQR-UHFFFAOYSA-N","5472831",NA,"PDBC26120","721880","Present"
-"5-Acetyl-4-amino-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","5-Acetyl-4-amino-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide","","CCCNC1=C(C(=C(N1)C(=O)C)N)C(=S)NC2=CC=CC=C2","KYOCBEICGNPNHZ-UHFFFAOYSA-N","5472830",NA,"PDBC26121","721879","Present"
-"5-Acetyl-5-hydroxy-1,2,3,4-tetraphenylbicyclo[2.2.1]hept-2-en-7-one","","","","","","","","","","","","","","","","","","","","5-Acetyl-5-hydroxy-1,2,3,4-tetraphenylbicyclo[2.2.1]hept-2-en-7-one","","CC(=O)C1(CC2(C(=C(C1(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)O","LYJAFKZHIMTMBN-UHFFFAOYSA-N","363199",NA,"PDBC26122","627874","Present"
-"5-Acetyl-6-(2-morpholin-4-ylethylsulfanyl)-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one","","","","","","","","","","","","","","","","","","","","5-Acetyl-6-(2-morpholinoethylsulfanyl)-1,3-diphenyl-2-thioxo-pyrimidin-4-one","","CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCOCC4","KMLFGRLWEBHUFT-UHFFFAOYSA-N","396731",NA,"PDBC26123","703441","Present"
-"5-Acetyl-6-(acetyloxy)-2-methoxy-3-methyl-4-oxo-3,5,5a,6,7,8,9a,10-octahydro-4H-pyrano[3,2-g]pteridin-7-yl acetate","","","","","","","","","","","","","","","","","","","","(5-Acetyl-6-acetyloxy-2-methoxy-3-methyl-4-oxo-5a,6,7,8,9a,10-hexahydropyrano[3,2-g]pteridin-7-yl) acetate","","CC(=O)N1C2C(C(COC2NC3=C1C(=O)N(C(=N3)OC)C)OC(=O)C)OC(=O)C","WMDUAQNMKYJNAK-UHFFFAOYSA-N","379346",NA,"PDBC26124","663893","Present"
-"5-Acetyl-6-[2-(azepan-1-yl)ethylsulfanyl]-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one","","","","","","","","","","","","","","","","","","","","5-Acetyl-6-[2-(azepan-1-yl)ethylsulfanyl]-1,3-diphenyl-2-thioxo-pyrimidin-4-one","","CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCCCC4","UDQDMTQJGNKLHB-UHFFFAOYSA-N","396730",NA,"PDBC26125","703440","Present"
-"5-Acetyl-6-[2-(diethylamino)ethylsulfanyl]-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one","","","","","","","","","","","","","","","","","","","","5-Acetyl-6-(2-diethylaminoethylsulfanyl)-1,3-diphenyl-2-thioxo-pyrimidin-4-one","","CCN(CC)CCSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C","YSKOCGLOGUJUJS-UHFFFAOYSA-N","397937",NA,"PDBC26126","707006","Present"
-"5-Acetyl-6-methyl-4-(1-naphthyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC667546///NSC667552","","CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=CC4=CC=CC=C43)C(=O)C","QOLXSKVAIOOLDH-UHFFFAOYSA-N","381212",NA,"PDBC26127","667546///667552","Present"
-"5-Acetyl-7-[(E)-dimethylaminoazo]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","5-Acetyl-7-[(E)-dimethylaminoazo]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CC1CC(=O)NC2=C(N1C(=O)C)C=C(C=C2)N=NN(C)C","XCTVTCKRJJTLHD-UHFFFAOYSA-N","388603",NA,"PDBC26128","683611","Present"
-"5-Acetyl-N,N-diisopropyl-3-methoxy-2-(trimethylsilyl)benzamide","","","","","","","","","","","","","","","","","","","","5-Acetyl-N,N-diisopropyl-3-methoxy-2-(trimethylsilyl)benzamide","","CC(C)N(C(C)C)C(=O)C1=C(C(=CC(=C1)C(=O)C)OC)[Si](C)(C)C","PDQJEIWQJXPYQH-UHFFFAOYSA-N","394810",NA,"PDBC26129","698612","Present"
-"5-Acetylethenyl-2-phenylethynyl-thiophene","","","","","","","","","","","","","","","","","","","","5-Acetylethenyl-2-phenylethynyl-thiophene","","CC(=O)C=CC1=CC=C(S1)C#CC2=CC=CC=C2","DXJVADADGFTKTH-VQHVLOKHSA-N","24205339",NA,"PDBC26130","735187","Present"
-"5-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one","","","","","","","","","","","","","","","","","","","","5-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one","","CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3=O)C5=C(CCC5)C=C4)C=C1","BAVJVRKSDTYFEZ-UHFFFAOYSA-N","385663",NA,"PDBC26131","677009","Present"
-"5-Acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-Acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid","","CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C(=C5CCCC5=C4)C(=O)O)C=C1","JCJMWXVAWIPLTB-UHFFFAOYSA-N","385717",NA,"PDBC26132","677063","Present"
-"5-Allyl-2,4,6-trichloropyrimidine","","","","","","","","","","","","","","","","","","","","pyrimidine, 5-allyl-2,4,6-trichloro-","","C=CCC1=C(N=C(N=C1Cl)Cl)Cl","RXPZJYKGHXZIEJ-UHFFFAOYSA-N","260780",NA,"PDBC26133","92494","Present"
-"5-Allyl-4-butyl-2-methyl-1,3-oxazole","","","","","","","","","","","","","","","","","","","","5-Allyl-4-butyl-2-methyl-1,3-oxazole","","CCCCC1=C(OC(=N1)C)CC=C","FZPOHNZVFUNVDI-UHFFFAOYSA-N","384230",NA,"PDBC26134","673646","Present"
-"5-Allyl-6-hydroxy-4,8-dimethyl-8,9-dihydro-2H-furo[2,3-h]chromen-2-one","","","","","","","","","","","","","","","","","","","","5-Allyl-6-hydroxy-4,8-dimethyl-8,9-dihydro-2H-furo[2,3-h]chromen-2-one","","CC1CC2=C3C(=C(C(=C2O1)O)CC=C)C(=CC(=O)O3)C","YPWJPUFMLLHGQD-UHFFFAOYSA-N","362952",NA,"PDBC26135","627438","Present"
-"5-Allyl-6-isopropyl-1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)hexahydro-1H-pyrrolo[3,4-c]isoxazole","","","","","","","","","","","","","","","","","","","","3,3,3-Trifluoro-2-methoxy-2-phenyl-1-(6-propan-2-yl-5-prop-2-enyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazol-1-yl)propan-1-one","","CC(C)C1C2C(CN1CC=C)CON2C(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC","OQGASQZCWZYGPQ-UHFFFAOYSA-N","382714",NA,"PDBC26136","670363","Present"
-"5-Allyl-7-allylsulfanyl-imidazo[4,5-d]pyridazine","","","","","","","","","","","","","","","","","","","","Allyl 5-allyl-5H-imidazo[4,5-d]pyridazin-7-yl sulfide","","C=CCN1C=C2C(=NC=N2)C(=N1)SCC=C","ITWNXMYDTSOYFI-UHFFFAOYSA-N","391410",NA,"PDBC26137","690583","Present"
-"5-Allyl-benzo[1,2-c","","","","","","","","","","","","","","","","","","","","5-Allyl-benzo[1,2-c","","C=CCC1=C(C2=NSN=C2C3=NSN=C13)O","VTROZZMQOVZOOU-UHFFFAOYSA-N","135409158",NA,"PDBC26138","661218","Present"
-"5-Amino-1,4-B]pyrazin-7-ylcarbamic acid, 2-fluoroethyl ester, chloroformate, hydrate [20:4:15]","","","","","","","","","","","","","","","","","","","","S-(-)Pyrido[3,4-b]pyrazin-7-ylcarbamic acid, 5-amino-1,2...","","CC1C(=NC2=C(N=C(C=C2N1)NC(=O)OCCF)N)C3=CC=CC=C3.C(Cl)(Cl)Cl","LTVVRGOXJXZBGA-PPHPATTJSA-N","11969855",NA,"PDBC26139","628803","Present"
-"5-Amino-1-(1-naphthyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-1-(1-naphthyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile","","C1=CC=C2C(=C1)C=CC=C2N3C(=C(NC3=O)C#N)N","ZVXSIDBMYNAEMC-UHFFFAOYSA-N","379272",NA,"PDBC26140","663778","Present"
-"5-Amino-1-(2-aminophenyl)imidazole-4-carboximidoyl cyanide","","","","","","","","","","","","","","","","","","","","5-Amino-1-(2-aminophenyl)imidazole-4-carboximidoyl cyanide","","C1=CC=C(C(=C1)N)N2C=NC(=C2N)C(=N)C#N","JDQKMQOYSHJWBP-UHFFFAOYSA-N","382605",NA,"PDBC26141","670246","Present"
-"5-Amino-1-(2-hydroxyethyl)imidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-1-(2-hydroxyethyl)imidazole-4-carbonitrile","","C1=NC(=C(N1CCO)N)C#N","OQPCBAOEGJSMMD-UHFFFAOYSA-N","382607",NA,"PDBC26142","670248","Present"
-"5-Amino-1-(2-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-1-(2-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile","","CC1=CC=CC=C1N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CC=C3","CGLLDXPMBRKPBR-UHFFFAOYSA-N","387727",NA,"PDBC26143","681756","Present"
-"5-Amino-1-(4-aminophenyl)imidazole-4-carboximidoyl cyanide","","","","","","","","","","","","","","","","","","","","5-Amino-1-(4-aminophenyl)imidazole-4-carboximidoyl cyanide","","C1=CC(=CC=C1N)N2C=NC(=C2N)C(=N)C#N","YILGMKZJRUVDBH-UHFFFAOYSA-N","382606",NA,"PDBC26144","670247","Present"
-"5-Amino-1-(4-chlorophenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-1-(4-chlorophenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile","","C1=CC(=CC=C1N2C(=C(NC2=O)C#N)N)Cl","GLSYKEBJFKRXOC-UHFFFAOYSA-N","379271",NA,"PDBC26145","663777","Present"
-"5-Amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-3,3,4-tricarbonitrile, 5-amino-2,3-dihydro- 1...","","COC1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]","RFHSTAWCVDYMAA-UHFFFAOYSA-N","387729",NA,"PDBC26146","681758","Present"
-"5-Amino-1-(4-methoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-1-(4-methoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile","","COC1=CC=C(C=C1)N2C(=C(NC2=O)C#N)N","WGEVTRVKZCXMIO-UHFFFAOYSA-N","379270",NA,"PDBC26147","663776","Present"
-"5-Amino-1-(4-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-1-(4-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile","","CC1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CC=C3","KDTSMCAADIFKJZ-UHFFFAOYSA-N","387728",NA,"PDBC26148","681757","Present"
-"5-Amino-1-(isopropylideneamino)imidazole-4-carboximidoyl cyanide","","","","","","","","","","","","","","","","","","","","5-Amino-1-(isopropylideneamino)imidazole-4-carboximidoyl cyanide","","CC(=NN1C=NC(=C1N)C(=N)C#N)C","IMEMQPMTLTXEMV-UHFFFAOYSA-N","377748",NA,"PDBC26149","659339","Present"
-"5-Amino-1-[(E)-4-hydroxybut-2-enyl]imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-Amino-1-[(E)-4-hydroxybut-2-enyl]imidazole-4-carboxamide","","C1=NC(=C(N1CC=CCO)N)C(=O)N","YLWXZRVDVVGLCX-OWOJBTEDSA-N","5798765",NA,"PDBC26150","676398","Present"
-"5-Amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile","","C1=CC(=CC=C1N2C=C(C(=N2)C(=O)N3C(=C(C=N3)C#N)N)O)Cl","QSXIDUKAGCAOKB-UHFFFAOYSA-N","46865790",NA,"PDBC26151","748382","Present"
-"5-Amino-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","5-Amino-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carbohydrazide","","C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)N3C(=C(C=N3)C(=O)NN)N","GOLZEMHGBXXGLS-UHFFFAOYSA-N","45027941",NA,"PDBC26152","740237","Present"
-"5-Amino-1-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-Amino-1-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazole-4-carboxamide","","C1CC(C1)(CN2C=NC(=C2N)C(=O)N)CO","TWXXWZQLHZZNLU-UHFFFAOYSA-N","385288",NA,"PDBC26153","676400","Present"
-"5-Amino-1-methyl-1H-imidazole-4-carboselenoamide","","","","","","","","","","","","","","","","","","","","5-AMINO-1-METHYL-1H-IMIDAZOLE-4-CARBOSELENOAMIDE","","CN1C=NC(=C1N)C(=N)[Se]","LIPTURHETALGSL-UHFFFAOYSA-N","6327958",NA,"PDBC26154","251219","Present"
-"5-Amino-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-Amino-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole-4-carboxamide","","CN1C(C(N=C1SC)C(=O)N)N","DRKDLJXEVBDUMO-UHFFFAOYSA-N","381398",NA,"PDBC26155","667942","Present"
-"5-Amino-1-methyl-3-phenacylimidazol-1-ium-4-carboxamide;bromide","","","","","","","","","","","","","","","","","","","","4-Amino-5-carbamoyl-3-methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide","","C[N+]1=CN(C(=C1N)C(=O)N)CC(=O)C2=CC=CC=C2.[Br-]","UYPOZFFHXZNKCJ-UHFFFAOYSA-N","369520",NA,"PDBC26156","641317","Present"
-"5-Amino-1-phenyl-1H-imidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-1-phenyl-1H-imidazole-4-carbonitrile","","C1=CC=C(C=C1)N2C=NC(=C2N)C#N","QLWSVYXOJPTUPR-UHFFFAOYSA-N","382608",NA,"PDBC26157","670249","Present"
-"5-Amino-1-pyridin-3-ylpentan-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Anabaseine dihydrochloride","","C1=CC(=CN=C1)C(=O)CCCCN.Cl","ABDCAGGFFYBQLM-UHFFFAOYSA-N","375174",NA,"PDBC26158","654510","Present"
-"5-Amino-13,14-dihydroxy-9-methyl-15-oxa-4,6,9-triaza-2-azoniatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4-trien-7-one;4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","5-Amino-13,14-dihydroxy-9-methyl-15-oxa-4,6,9-triaza-2-azoniatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4-trien-7-one;4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=[N+](C3C(C(C(C2)O3)O)O)C4=C1C(=O)NC(=N4)N","CFHVDXCZGFIAKR-UHFFFAOYSA-N","135439968",NA,"PDBC26159","621609","Present"
-"5-Amino-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione","","","","","","","","","","","","","","","","","","","","5-Amino-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione","","CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)N)CCN(C)C","HVGHXUABOZQFRM-UHFFFAOYSA-N","394871",NA,"PDBC26160","698960","Present"
-"5-Amino-1H-1,2,4-triazol-3(2H)-one","","","","","","","","","","","","","","","","","","","",".delta.(2)-1,2,4-triazolin-5-one, 3-amino- (8ci)","","C1(=NNC(=O)N1)N","XOHBRLLZSIGHDE-UHFFFAOYSA-N","135481969",NA,"PDBC26161","138436","Present"
-"5-Amino-2,7-dioxo-4-phenyl-1,3,4,7-tetrahydro-2H-pyrano[4,3-b]pyridine-8-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2,7-dioxo-4-phenyl-1,3,4,7-tetrahydro-2H-pyrano[4,3-b]pyridine-8-carbonitrile","","C1C(C2=C(OC(=O)C(=C2NC1=O)C#N)N)C3=CC=CC=C3","PEUSHLRJQDYQSJ-UHFFFAOYSA-N","381860",NA,"PDBC26162","669030","Present"
-"5-Amino-2-((phenylsulfonyl)oxy)-1H-isoindole-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","5-Amino-2-((phenylsulfonyl)oxy)-1H-isoindole-1,3(2H)-dione","","C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C2=O)C=C(C=C3)N","KCINQILOFODTIY-UHFFFAOYSA-N","342608",NA,"PDBC26163","379673","Present"
-"5-Amino-2-(1,3-dithian-2-yl)-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(1,3-dithian-2-yl)-1,3-oxazole-4-carbonitrile","","C1CSC(SC1)C2=NC(=C(O2)N)C#N","LNBXRKMFFMQZKG-UHFFFAOYSA-N","391478",NA,"PDBC26164","690683","Present"
-"5-Amino-2-(1-hydroxyethyl)-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(1-hydroxyethyl)-1,3-oxazole-4-carbonitrile","","CC(C1=NC(=C(O1)N)C#N)O","SYMUQHKKDUWVGJ-UHFFFAOYSA-N","389107",NA,"PDBC26165","684792","Present"
-"5-Amino-2-(1-naphthylamino)-1,3-thiazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(1-naphthylamino)-1,3-thiazole-4-carbonitrile","","C1=CC=C2C(=C1)C=CC=C2NC3=NC(=C(S3)N)C#N","FBQGUKYMSRIVNJ-UHFFFAOYSA-N","367983",NA,"PDBC26166","638201","Present"
-"5-Amino-2-(2,2,5,5-tetramethyl-tetrahydro-1,3,4,6,8-pentaoxa-cyclopenta[a]inden-8a-yl)-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)-1,3-oxazole-4-carbonitrile","","CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C4=NC(=C(O4)N)C#N)C","HZQUCEPQNXRVFR-UHFFFAOYSA-N","389104",NA,"PDBC26167","684789","Present"
-"5-Amino-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo(de)isoquinoline-1,3(2H)-dione","","","","","","","","","","","","","","","","","","","","1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(1-p...","","C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)N","TXYIFVDECCPRPY-UHFFFAOYSA-N","328774",NA,"PDBC26168","308849","Present"
-"5-Amino-2-(2-benzyloxy-ethoxymethyl)-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(2-benzyloxy-ethoxymethyl)-oxazole-4-carbonitrile","","C1=CC=C(C=C1)COCCOCC2=NC(=C(O2)N)C#N","VYCLCJXYEKSVNH-UHFFFAOYSA-N","377502",NA,"PDBC26169","658986","Present"
-"5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","5-Amino-2-o-phenetidinobenzenesulfonic acid","","CCOC1=CC=CC=C1NC2=C(C=C(C=C2)N)S(=O)(=O)O","YRLCWCSMBOVTJM-UHFFFAOYSA-N","224976",NA,"PDBC26170","13970","Present"
-"5-Amino-2-(2-furyl)-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(2-furyl)-1,3-oxazole-4-carbonitrile","","C1=COC(=C1)C2=NC(=C(O2)N)C#N","KRWPUSANHUBCKR-UHFFFAOYSA-N","377498",NA,"PDBC26171","658982","Present"
-"5-Amino-2-(2-hydroxyphenyl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(2-hydroxyphenyl)oxazole-4-carbonitrile","","C1=CC=C(C(=C1)C2=NC(=C(O2)N)C#N)O","FFJQYSRFTLWTPX-UHFFFAOYSA-N","391477",NA,"PDBC26172","690682","Present"
-"5-Amino-2-(2-methoxyethoxymethyl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(2-methoxyethoxymethyl)oxazole-4-carbonitrile","","COCCOCC1=NC(=C(O1)N)C#N","HJPDBFMRNGBQID-UHFFFAOYSA-N","389097",NA,"PDBC26173","684782","Present"
-"5-Amino-2-(2-pyridinyl)-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(2-pyridinyl)-1,3-oxazole-4-carbonitrile","","C1=CC=NC(=C1)C2=NC(=C(O2)N)C#N","QMNWBDGIVJGJGS-UHFFFAOYSA-N","386974",NA,"PDBC26174","680216","Present"
-"5-Amino-2-(2-thienyl)-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(2-thienyl)-1,3-oxazole-4-carbonitrile","","C1=CSC(=C1)C2=NC(=C(O2)N)C#N","VWTYSDBXQIIJJT-UHFFFAOYSA-N","385626",NA,"PDBC26175","676966","Present"
-"5-Amino-2-(2-thienylmethyl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(thiophen-2-ylmethyl)-1,3-oxazole-4-carbonitrile","","C1=CSC(=C1)CC2=NC(=C(O2)N)C#N","PDNOMEBMAZBSIA-UHFFFAOYSA-N","391483",NA,"PDBC26176","690688","Present"
-"5-Amino-2-(3,5-dinitrophenyl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(3,5-dinitrophenyl)-1,3-oxazole-4-carbonitrile","","C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=NC(=C(O2)N)C#N","JZKUHPIUQMZFOF-UHFFFAOYSA-N","377505",NA,"PDBC26177","658989","Present"
-"5-Amino-2-(3-thienyl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-thiophen-3-yl-1,3-oxazole-4-carbonitrile","","C1=CSC=C1C2=NC(=C(O2)N)C#N","YSZOHWNWFJHYHD-UHFFFAOYSA-N","391484",NA,"PDBC26178","690689","Present"
-"5-Amino-2-(4-chloroanilino)-1,3-thiazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(4-chloroanilino)-1,3-thiazole-4-carbonitrile","","C1=CC(=CC=C1NC2=NC(=C(S2)N)C#N)Cl","QJEGJEJZNHISLK-UHFFFAOYSA-N","367981",NA,"PDBC26179","638199","Present"
-"5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile","","C1=CC(=CC=C1C#N)C2=NC(=C(O2)N)C#N","BZMLXJFTRHKSLB-UHFFFAOYSA-N","377497",NA,"PDBC26180","658981","Present"
-"5-Amino-2-(4-methoxyanilino)-1,3-thiazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(4-methoxyanilino)-1,3-thiazole-4-carbonitrile","","COC1=CC=C(C=C1)NC2=NC(=C(S2)N)C#N","OQUNZTFZBABXOM-UHFFFAOYSA-N","367980",NA,"PDBC26181","638198","Present"
-"5-Amino-2-(4-methoxybenzylidene)-6-(1-piperidinyl)-2,8-dihydroimidazo[1,2-a]pyrimidine-3,7-dione","","","","","","","","","","","","","","","","","","","","5-Amino-2-(4-methoxybenzylidene)-6-(1-piperidinyl)-2,8-dihydroimidazo[1,2-a]pyrimidine-3,7-dione","","COC1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(=O)N=C3N2)N4CCCCC4)N","FYLMTQNHJHEYSI-KAMYIIQDSA-N","5938657",NA,"PDBC26182","684393","Present"
-"5-Amino-2-(4-nitrophenyl)-2H-furan-3,3,4-tricarbonitrile","","","","","","","","","","","","","","","","","","","","Furan-3,3,4-tricarbonitrile, 5-amino-2,3-dihydro- 2-(4-n...","","C1=CC(=CC=C1C2C(C(=C(O2)N)C#N)(C#N)C#N)[N+](=O)[O-]","NPCAWLJGJWCOSP-UHFFFAOYSA-N","387794",NA,"PDBC26183","681866","Present"
-"5-Amino-2-(5-oxotetrahydrofuran-2-yl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(5-oxotetrahydrofuran-2-yl)oxazole-4-carbonitrile","","C1CC(=O)OC1C2=NC(=C(O2)N)C#N","JGCHEUKXSBUYLA-UHFFFAOYSA-N","391475",NA,"PDBC26184","690680","Present"
-"5-Amino-2-(benzyloxymethyl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(benzyloxymethyl)oxazole-4-carbonitrile","","C1=CC=C(C=C1)COCC2=NC(=C(O2)N)C#N","INXWPKXPEASLEZ-UHFFFAOYSA-N","388803",NA,"PDBC26185","683890","Present"
-"5-Amino-2-(benzylsulfanylmethyl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(benzylsulfanylmethyl)oxazole-4-carbonitrile","","C1=CC=C(C=C1)CSCC2=NC(=C(O2)N)C#N","GBFRWDKLVJUCNQ-UHFFFAOYSA-N","391649",NA,"PDBC26186","691193","Present"
-"5-Amino-2-(butylamino)-1,3-thiazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(butylamino)-1,3-thiazole-4-carbonitrile","","CCCCNC1=NC(=C(S1)N)C#N","LWXGIRSNQBRIDC-UHFFFAOYSA-N","367979",NA,"PDBC26187","638197","Present"
-"5-Amino-2-(cyanomethyl)-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(cyanomethyl)-1,3-oxazole-4-carbonitrile","","C(C#N)C1=NC(=C(O1)N)C#N","AFJMLHQKCDXMRA-UHFFFAOYSA-N","391651",NA,"PDBC26188","691195","Present"
-"5-Amino-2-(diethoxyphosphorylmethyl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(diethoxyphosphorylmethyl)oxazole-4-carbonitrile","","CCOP(=O)(CC1=NC(=C(O1)N)C#N)OCC","KZJQIAKEVUOJKT-UHFFFAOYSA-N","386973",NA,"PDBC26189","680215","Present"
-"5-Amino-2-(methoxymethyl)-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-(methoxymethyl)-1,3-oxazole-4-carbonitrile","","COCC1=NC(=C(O1)N)C#N","PMBKWQNVSZSTJV-UHFFFAOYSA-N","377496",NA,"PDBC26190","658980","Present"
-"5-Amino-2-(methylamino)-1,3-thiazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","ZX-CM005582","","CNC1=NC(=C(S1)N)C(=O)N","AUUMSCGUNURINM-UHFFFAOYSA-N","381397",NA,"PDBC26191","667941","Present"
-"5-Amino-2-(pyrazin-2-yl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","FCH1961578","","C1=CN=C(C=N1)C2=NC(=C(O2)N)C#N","KREXZPSKNFVUNB-UHFFFAOYSA-N","391481",NA,"PDBC26192","690686","Present"
-"5-Amino-2-(trifluoromethyl)oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","C5H2F3N3O","","C(#N)C1=C(OC(=N1)C(F)(F)F)N","MIYSEUWDQIMHAU-UHFFFAOYSA-N","389102",NA,"PDBC26193","684787","Present"
-"5-Amino-2-[(1,3-dioxoisoindolin-2-yl)methyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[(1,3-dioxoisoindolin-2-yl)methyl]oxazole-4-carbonitrile","","C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=C(O3)N)C#N","KCQGPJIOLVYPSH-UHFFFAOYSA-N","391648",NA,"PDBC26194","691192","Present"
-"5-Amino-2-[(10-methyl-9-oxoacridine-4-carbonyl)amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","5-Amino-2-[(10-methyl-9-oxo-acridine-4-carbonyl)amino]-5-oxo-pentanoic acid","","CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CCC(=O)N)C(=O)O","GUTPPHJZEXNFQM-UHFFFAOYSA-N","393798",NA,"PDBC26195","696566","Present"
-"5-Amino-2-[(10-oxidoacridin-10-ium-9-yl)amino]-5-oxo-pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Amino-2-[(10-oxidoacridin-10-ium-9-yl)amino]-5-oxo-pentanoic acid","","C1=CC=C2C(=C1)C(=NC(CCC(=O)N)C(=O)O)C3=CC=CC=C3N2O","NXTITAQLWHKQTE-UHFFFAOYSA-N","494618",NA,"PDBC26196","627899","Present"
-"5-Amino-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]-5-oxo-pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Amino-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]-5-oxo-pentanoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC(CCC(=O)N)C(=O)O","GICJSHZCIMYWAS-UHFFFAOYSA-N","494612",NA,"PDBC26197","627893","Present"
-"5-Amino-2-[(3R)-3-[(3S,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","24-Norcholan-3,12-diol, 23-(5-amino-4-cyano-2-oxazolyl)-...","","CC(CCC1=NC(=C(O1)N)C#N)C2CCC3C2(C(CC4C3CCC5C4(CCC(C5)O)C)O)C","PEOWSKIBKZKDAY-HEIVMAJXSA-N","389348",NA,"PDBC26198","685301","Present"
-"5-Amino-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Amino-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]pentanoic acid","","C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CCCN)C(=O)O","GJNDKYGWYBOLBL-UHFFFAOYSA-N","375075",NA,"PDBC26199","653959","Present"
-"5-Amino-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile","","C1=CSC(=C1)C=CC2=NC(=C(O2)N)C#N","NTHGIGOBUZDYAA-ONEGZZNKSA-N","5469599",NA,"PDBC26200","690687","Present"
-"5-Amino-2-[(E)-2-(3-pyridyl)vinyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[(E)-2-(3-pyridyl)vinyl]oxazole-4-carbonitrile","","C1=CC(=CN=C1)C=CC2=NC(=C(O2)N)C#N","HOWWBXYQVPMKJY-ONEGZZNKSA-N","5469248",NA,"PDBC26201","684786","Present"
-"5-Amino-2-[(E)-2-(5-amino-4-cyano-oxazol-2-yl)vinyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[(E)-2-(5-amino-4-cyano-oxazol-2-yl)vinyl]oxazole-4-carbonitrile","","C(=CC1=NC(=C(O1)N)C#N)C2=NC(=C(O2)N)C#N","ONPUYWPORWWFMM-OWOJBTEDSA-N","5467775",NA,"PDBC26202","658983","Present"
-"5-Amino-2-[(E)-styryl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[(E)-styryl]oxazole-4-carbonitrile","","C1=CC=C(C=C1)C=CC2=NC(=C(O2)N)C#N","APQLOEQOOKSCNV-VOTSOKGWSA-N","5469294",NA,"PDBC26203","685299","Present"
-"5-Amino-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]oxazole-4-carbonitrile","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC(=C(O3)N)C#N","ABGPKENFJQRORB-UHFFFAOYSA-N","389298",NA,"PDBC26204","685118","Present"
-"5-Amino-2-[2-(5-amino-4-cyano-oxazol-2-yl)ethyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[2-(5-amino-4-cyano-oxazol-2-yl)ethyl]oxazole-4-carbonitrile","","C(CC1=NC(=C(O1)N)C#N)C2=NC(=C(O2)N)C#N","SQXDFYZUNBZLQW-UHFFFAOYSA-N","377500",NA,"PDBC26205","658984","Present"
-"5-Amino-2-[2-[(4-methoxyphenyl)methoxy]ethoxymethyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[2-[(4-methoxyphenyl)methoxy]ethoxymethyl]oxazole-4-carbonitrile","","COC1=CC=C(C=C1)COCCOCC2=NC(=C(O2)N)C#N","XNSTVXJCIWZJHA-UHFFFAOYSA-N","390379",NA,"PDBC26206","687721","Present"
-"5-Amino-2-[2-[4-[2-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Amino-2-[2-[4-[2-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride","","C1CN(CCN1CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)N)CCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)N.Cl","NXATZHTWWPFXQJ-UHFFFAOYSA-N","357366",NA,"PDBC26207","615800","Present"
-"5-Amino-2-[3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC(=C(O3)N)C#N","NGDAOSGTADPYMS-UHFFFAOYSA-N","389299",NA,"PDBC26208","685119","Present"
-"5-Amino-2-[3-(5-amino-4-cyano-oxazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[3-(5-amino-4-cyano-oxazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile","","C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC3=NC(=C(O3)N)C#N)C4=NC(=C(O4)N)C#N","LOXUYMJPHFXZRY-UHFFFAOYSA-N","389100",NA,"PDBC26209","684785","Present"
-"5-Amino-2-[4-(5-amino-4-cyano-oxazol-2-yl)phenyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[4-(5-amino-4-cyano-oxazol-2-yl)phenyl]oxazole-4-carbonitrile","","C1=CC(=CC=C1C2=NC(=C(O2)N)C#N)C3=NC(=C(O3)N)C#N","FUIKFJDTHFOXPD-UHFFFAOYSA-N","377501",NA,"PDBC26210","658985","Present"
-"5-Amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentyl]oxazole-4-carbonitrile","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC3=NC(=C(O3)N)C#N","NFVBJVZDEJDHDC-UHFFFAOYSA-N","389301",NA,"PDBC26211","685121","Present"
-"5-Amino-2-[6-(5-amino-4-cyano-oxazol-2-yl)-2-pyridyl]oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-[6-(5-amino-4-cyano-oxazol-2-yl)-2-pyridyl]oxazole-4-carbonitrile","","C1=CC(=NC(=C1)C2=NC(=C(O2)N)C#N)C3=NC(=C(O3)N)C#N","AYOBAFQLRFWMOY-UHFFFAOYSA-N","389105",NA,"PDBC26212","684790","Present"
-"5-Amino-2-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","5-Amino-2-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-5-oxo-pentanoic acid","","CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CCC(=O)N)C(=O)O","WZHAPCPAGDAPHU-UHFFFAOYSA-N","392356",NA,"PDBC26213","692640","Present"
-"5-Amino-2-benzoyl-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-benzoyl-1,3-oxazole-4-carbonitrile","","C1=CC=C(C=C1)C(=O)C2=NC(=C(O2)N)C#N","MUZLBRWXNZWHOC-UHFFFAOYSA-N","391480",NA,"PDBC26214","690685","Present"
-"5-Amino-2-benzylidene-6-(1-piperidinyl)-2,8-dihydroimidazo[1,2-a]pyrimidine-3,7-dione","","","","","","","","","","","","","","","","","","","","(2Z)-5-Amino-2-benzylidene-6-(1-piperidyl)-8H-imidazo[1,2-a]pyrimidine-3,7-dione","","C1CCN(CC1)C2=C(N3C(=O)C(=CC4=CC=CC=C4)NC3=NC2=O)N","GDIPALKJWCFBCB-QBFSEMIESA-N","5801747",NA,"PDBC26215","684390","Present"
-"5-Amino-2-cyclobutyl-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-cyclobutyl-1,3-oxazole-4-carbonitrile","","C1CC(C1)C2=NC(=C(O2)N)C#N","PFSVMRYZZPBWLD-UHFFFAOYSA-N","389103",NA,"PDBC26216","684788","Present"
-"5-Amino-2-cyclopropyloxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","6615AD","","C1CC1C2=NC(=C(O2)N)C#N","MTHZIZXCFVBICT-UHFFFAOYSA-N","388805",NA,"PDBC26217","683892","Present"
-"5-Amino-2-heptadecyl-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-heptadecyl-1,3-oxazole-4-carbonitrile","","CCCCCCCCCCCCCCCCCC1=NC(=C(O1)N)C#N","HZBKCIYIRLMFPT-UHFFFAOYSA-N","391479",NA,"PDBC26218","690684","Present"
-"5-Amino-2-isopropenyl-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-isopropenyl-oxazole-4-carbonitrile","","CC(=C)C1=NC(=C(O1)N)C#N","NOPYWSARKNNISR-UHFFFAOYSA-N","389297",NA,"PDBC26219","685117","Present"
-"5-Amino-2-mercapto-1-methyl-1H-imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","ZX-CM005583","","CN1C(=C(NC1=S)C(=O)N)N","MPKNJHKYEJNMND-UHFFFAOYSA-N","3005023",NA,"PDBC26220","667940","Present"
-"5-Amino-2-methylsulfanyl-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1H-pyrimidin-6-one","","","","","","","","","","","","","","","","","","","","5-Amino-2-methylsulfanyl-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1H-pyrimidin-6-one","","CSC1=NC(=C(C(=O)N1)N)NC2C(C(C(C(O2)CO)O)O)O","VZOSVGAXSLLDML-UHFFFAOYSA-N","135426516",NA,"PDBC26221","624648","Present"
-"5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile","","C(#N)C1=C(NC(=S)N1)N","ARWNVZNLASAGOR-UHFFFAOYSA-N","3004998",NA,"PDBC26222","667378","Present"
-"5-Amino-2-vinyl-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-ethenyl-1,3-oxazole-4-carbonitrile","","C=CC1=NC(=C(O1)N)C#N","MUCVMTGUEHCCHA-UHFFFAOYSA-N","389345",NA,"PDBC26223","685298","Present"
-"5-Amino-2-{[2-(2-ethoxyethoxy)ethoxy]methyl}-1,3-oxazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-2-{[2-(2-ethoxyethoxy)ethoxy]methyl}-1,3-oxazole-4-carbonitrile","","CCOCCOCCOCC1=NC(=C(O1)N)C#N","LXAKOKGNJFNYQP-UHFFFAOYSA-N","390376",NA,"PDBC26224","687718","Present"
-"5-Amino-3,4-dicyanopyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","URUOEYDLUZTVIE-UHFFFAOYSA-N","","C(#N)C1=C(N(N=C1C#N)C(=O)N)N","URUOEYDLUZTVIE-UHFFFAOYSA-N","354307",NA,"PDBC26225","605470","Present"
-"5-Amino-3-(2,3-dihydroxypropyl)-1,3,4-thiadiazol-2(3H)-one","","","","","","","","","","","","","","","","","","","","5-Amino-3-(2,3-dihydroxypropyl)-1,3,4-thiadiazol-2(3H)-one","","C(C(CO)O)N1C(=O)SC(=N1)N","CLDZAJJGIQWRRD-UHFFFAOYSA-N","358986",NA,"PDBC26226","619193","Present"
-"5-Amino-3-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-6H-triazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","5-Amino-3-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-6H-triazolo[4,5-d]pyrimidin-7-one","","C1=C(C(C(C1N2C3=C(C(=O)NC(=N3)N)N=N2)O)O)CO","IGDQMOZZKZNBKQ-UHFFFAOYSA-N","135499219",NA,"PDBC26227","644940","Present"
-"5-Amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","5-Amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one","","C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)N=N2)CO)O","QLBHLFDZMJYBOX-UHFFFAOYSA-N","135454027",NA,"PDBC26228","89822","Present"
-"5-Amino-3-methyl-2-methylsulfanyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","5-Amino-3-methyl-2-methylsulfanyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-4-one","","CN1C(=O)C(=C(N=C1SC)NC2C(C(C(C(O2)CO)O)O)O)N","VJRRURAMNHFZBJ-UHFFFAOYSA-N","361526",NA,"PDBC26229","624650","Present"
-"5-Amino-3-methylsulfanyl-4-phenylcarbamoyl-1H-pyrazole","","","","","","","","","","","","","","","","","","","","5-Amino-3-methylsulfanyl-4-phenylcarbamoyl-1H-pyrazole","","CSC1=NNC(=C1C(=O)NC2=CC=CC=C2)N","KCRKRIUMPPYIDZ-UHFFFAOYSA-N","392157",NA,"PDBC26230","692037","Present"
-"5-Amino-4-(1,3-benzothiazol-2-yl)-1-(3,5-dichlorophenyl)-1,2-dihydro-3H-pyrrol-3-one","","","","","","","","","","","","","","","","","","","","5-Amino-4-(1,3-benzothiazol-2-yl)-1-(3,5-dichlorophenyl)-1,2-dihydro-3H-pyrrol-3-one","","C1C(=C(C(=N)N1C2=CC(=CC(=C2)Cl)Cl)C3=NC4=CC=CC=C4S3)O","JFFHGCQLTHUVQZ-UHFFFAOYSA-N","135398754",NA,"PDBC26231","743270","Present"
-"5-Amino-4-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluorophenyl)-1,2-dihydro-3H-pyrrol-3-one","","","","","","","","","","","","","","","","","","","","5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluoroph...","","C1C(=C(C(=N)N1C2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4S3)O","PAYYFJQVFDOHIQ-UHFFFAOYSA-N","135504535",NA,"PDBC26232","732964","Present"
-"5-Amino-4-(1,3-benzothiazol-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrol-3-one","","","","","","","","","","","","","","","","","","","","5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chloro-5-trifluor...","","C1C(=C(C(=N)N1C2=C(C=CC(=C2)C(F)(F)F)Cl)C3=NC4=CC=CC=C4S3)O","FDPGCFKDYJYMLQ-UHFFFAOYSA-N","135438224",NA,"PDBC26233","732962","Present"
-"5-Amino-4-benzothiazol-2-yl-1-(2,5-dimethoxy-phenyl)-1,2-dihydro-pyrrol-3-one","","","","","","","","","","","","","","","","","","","","5-amino-4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethoxyphenyl...","","COC1=CC(=C(C=C1)OC)N2CC(=C(C2=N)C3=NC4=CC=CC=C4S3)O","CDOHJUPUIYEDTC-UHFFFAOYSA-N","135459277",NA,"PDBC26234","732787","Present"
-"5-Amino-4-benzothiazol-2-yl-1-(3-methoxy-phenyl)-1,2-dihydro-pyrrol-3-one","","","","","","","","","","","","","","","","","","","","5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-methoxyphenyl)-2,...","","COC1=CC=CC(=C1)N2CC(=C(C2=N)C3=NC4=CC=CC=C4S3)O","PPXFTXQJLUISRH-UHFFFAOYSA-N","135444827",NA,"PDBC26235","732786","Present"
-"5-Amino-4-cyano-2-(3-pyridyl)-1,3-oxazole","","","","","","","","","","","","","","","","","","","","5-Amino-4-cyano-2-(3-pyridyl)-1,3-oxazole","","C1=CC(=CN=C1)C2=NC(=C(O2)N)C#N","IPDAAVATMABPQS-UHFFFAOYSA-N","386975",NA,"PDBC26236","680217","Present"
-"5-Amino-4-cyano-2-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de][1,6]naphthyridine-1-carboxamide","","","","","","","","","","","","","","","","","","","","11-Amino-12-cyano-15-oxo-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12-hexaene-16-carboxamide","","C1=CC=C2C(=C1)C3C(C(=O)NC4=C(C(=NC(=C34)O2)N)C#N)C(=O)N","BTBFYWGLFXMTEP-UHFFFAOYSA-N","389423",NA,"PDBC26237","685505","Present"
-"5-Amino-4-imino-2-methyl-3,10b-dihydro-4H-chromeno[3,4-c]pyridine-1-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-4-imino-2-methyl-3,10b-dihydro-4H-chromeno[3,4-c]pyridine-1-carbonitrile","","CC1=C(C2C3=CC=CC=C3OC(=C2C(=N1)N)N)C#N","QFTSDNXSBVPGCK-UHFFFAOYSA-N","388287",NA,"PDBC26238","682928","Present"
-"5-Amino-4-methoxy-2-nitrobenzenesulphonic acid","","","","","","","","","","","","","","","","","","","","NSC605764","","COC1=CC(=C(C=C1N)S(=O)(=O)O)[N+](=O)[O-]","QQSSZTDQUIRFNT-UHFFFAOYSA-N","80774",NA,"PDBC26239","605764","Present"
-"5-Amino-4-nitroacenaphthene","","","","","","","","","","","","","","","","","","","","5-Amino-4-nitroacenaphthene","","C1CC2=CC(=C(C3=CC=CC1=C23)N)[N+](=O)[O-]","VWJYDQVCIUABSV-UHFFFAOYSA-N","343757",NA,"PDBC26240","400244","Present"
-"5-Amino-5-oxo-2-(p-tolylsulfonylcarbamoylamino)pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Amino-5-oxo-2-(p-tolylsulfonylcarbamoylamino)pentanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCC(=O)N)C(=O)O","NFOMVOUBMRTYIA-UHFFFAOYSA-N","396494",NA,"PDBC26241","702678","Present"
-"5-Amino-5-oxo-2-[(9-oxo-10H-acridine-4-carbonyl)amino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Amino-5-oxo-2-[(9-oxo10h-acridine-4-carbonyl)amino]pentanoic acid","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC(CCC(=O)N)C(=O)O","ZDIBLEUDVAOFJG-UHFFFAOYSA-N","392351",NA,"PDBC26242","692635","Present"
-"5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-1,2,3,4,5,8-hexahydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-1,2,3,4,5,...","","CC1=C(C(=C(N=C1C(=O)O)C2CCC3=C(N2)C(=O)C(=C(C3=O)OC)N)N)C4=C(C(=C(C=C4)OC)OC)O","SQYHNFNEPRVUKC-UHFFFAOYSA-N","253712",NA,"PDBC26243","76919","Present"
-"5-Amino-N-(3-chlorophenyl)-5-(4-chlorophenyl)-5-cyano-4-oxopentanamide","","","","","","","","","","","","","","","","","","","","5-amino-N-(3-chlorophenyl)-5-(4-chloro-phenyl)-5-cyano-4...","","C1=CC(=CC(=C1)Cl)NC(=O)CCC(=O)C(C#N)(C2=CC=C(C=C2)Cl)N","YQDBZDIMYUIBPM-UHFFFAOYSA-N","361457",NA,"PDBC26244","624479","Present"
-"5-Amino-N-[(E)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-Amino-N-[(E)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide","","C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)N3C(=C(C=N3)C(=O)NN=CC4=CC=C(O4)C5=CC(=C(C=C5Cl)Cl)Cl)N","BTXPQRZJCPNHPD-FTFSGFEDSA-N","45027944",NA,"PDBC26245","740240","Present"
-"5-Amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-Amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide","","C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)N3C(=C(C=N3)C(=O)NN=CC4=CC=C(O4)C5=CC=C(C=C5)Cl)N","MFTVMJKZPAZAGV-DPWJMMOYSA-N","45027943",NA,"PDBC26246","740239","Present"
-"5-Amino-N-[(E)-furan-2-ylmethylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-Amino-N-[(E)-furan-2-ylmethylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide","","C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)N3C(=C(C=N3)C(=O)NN=CC4=CC=CO4)N","ZHFJUQGFALGHGL-YCPBAFNGSA-N","45027942",NA,"PDBC26247","740238","Present"
-"5-Amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide","","CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)N","GWJAQCRMEGDZPA-UHFFFAOYSA-N","395006",NA,"PDBC26248","699145","Present"
-"5-Amino-N-[2-[[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Amino-N-[2-[[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide","","CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=C(N5)C=CC(=C6)N","DERBHUXENPWNHC-UHFFFAOYSA-N","395007",NA,"PDBC26249","699146","Present"
-"5-Amino-N-methyl-1,2,3-thiadiazole-4-carbothioamide","","","","","","","","","","","","","","","","","","","","5-Amino-N-methyl-1,2,3-thiadiazole-4-carbothioamide","","CNC(=S)C1=C(SN=N1)N","FPJCBCUQMUQUDU-UHFFFAOYSA-N","2771457",NA,"PDBC26250","684035","Present"
-"5-Aminopentanesulfonic acid","","","","","","","","","","","","","","","","","","","","AS-58980","","C(CCN)CCS(=O)(=O)O","NJVWBSNUDITJDJ-UHFFFAOYSA-N","169850",NA,"PDBC26251","637821","Present"
-"5-Anilino-1,3-bis[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Di[2-(4-chlorophenoxy)ethyl]-5-(phenylamino)uracil","","C1=CC=C(C=C1)NC2=CN(C(=O)N(C2=O)CCOC3=CC=C(C=C3)Cl)CCOC4=CC=C(C=C4)Cl","UQZVZKQHRIAZFL-UHFFFAOYSA-N","395060",NA,"PDBC26252","699249","Present"
-"5-Anilino-1,3-bis[2-(4-methylphenoxy)ethyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1,3-Di[2-(4-Methylphenoxy)ethyl]-5-(phenylamino)uracil","","CC1=CC=C(C=C1)OCCN2C=C(C(=O)N(C2=O)CCOC3=CC=C(C=C3)C)NC4=CC=CC=C4","MTNBGQUCYKOINE-UHFFFAOYSA-N","395062",NA,"PDBC26253","699251","Present"
-"5-Anilino-1-(2-benzyloxyethoxymethyl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Anilino-1-(2-benzyloxyethoxymethyl)pyrimidine-2,4-dione","","C1=CC=C(C=C1)COCCOCN2C=C(C(=O)NC2=O)NC3=CC=CC=C3","QEFGDUZWHOTZBJ-UHFFFAOYSA-N","395261",NA,"PDBC26254","699739","Present"
-"5-Anilino-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[2-(4-Chlorophenoxy)ethyl]-5-(phenylamino)uracil","","C1=CC=C(C=C1)NC2=CN(C(=O)NC2=O)CCOC3=CC=C(C=C3)Cl","WIUZFDUELZITTI-UHFFFAOYSA-N","395059",NA,"PDBC26255","699248","Present"
-"5-Anilino-1-[2-(4-methylphenoxy)ethyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-[2-(4-Methylphenoxy)ethyl]-5-(phenylamino)uracil","","CC1=CC=C(C=C1)OCCN2C=C(C(=O)NC2=O)NC3=CC=CC=C3","FJCAZAPPVOKDEY-UHFFFAOYSA-N","395061",NA,"PDBC26256","699250","Present"
-"5-Anilino-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile","","","","","","","","","","","","","","","","","","","","5-Anilino-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile","","C1CCN(C1)C2=NSC(=C2C#N)NC3=CC=CC=C3","KQGQUIQVSLRGLL-UHFFFAOYSA-N","385015",NA,"PDBC26257","675869","Present"
-"5-Anilino-7-methyl-10-propyl-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene-11-thione","","","","","","","","","","","","","","","","","","","","5-Anilino-7-methyl-10-propyl-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene-11-thione","","CCCN1C2=C(C3=NN=C(N3C(=N2)C)NC4=CC=CC=C4)SC1=S","CVYJPDKANYHQSA-UHFFFAOYSA-N","45029490",NA,"PDBC26258","746967","Present"
-"5-Azanyl-2-(Phenylmethyl)-1,3-Oxazole-4-Carbonitrile","","","","","","","","","","","","","","","","","","","","EN300-298053","","C1=CC=C(C=C1)CC2=NC(=C(O2)N)C#N","DCUCOAMWPAFMQZ-UHFFFAOYSA-N","389296",NA,"PDBC26259","685116","Present"
-"5-Azatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,13-tetraene-3,10-dione","","","","","","","","","","","","","","","","","","","","5-Azatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,13-tetraene-3,10-dione","","C1C2C=CC1C3C2C(=O)C4=C(C3=O)N=CC=C4","FUMXYMLONDPFTF-UHFFFAOYSA-N","353640",NA,"PDBC26260","602613","Present"
-"5-Azido-2-methyl-6-phenylpyridazin-3-one","","","","","","","","","","","","","","","","","","","","5-Azido-2-methyl-6-phenylpyridazin-3(2h)-one","","CN1C(=O)C=C(C(=N1)C2=CC=CC=C2)N=[N+]=[N-]","VNQMCTJVKRSPIV-UHFFFAOYSA-N","375232",NA,"PDBC26261","654622","Present"
-"5-Azido-3-chloro-4-[(triphenylphosphoranylidene)amino]furan-2(5H)-one","","","","","","","","","","","","","","","","","","","","5-Azido-3-chloro-4-[(triphenylphosphoranylidene)amino]furan-2(5H)-one","","C1=CC=C(C=C1)P(=NC2=C(C(=O)OC2N=[N+]=[N-])Cl)(C3=CC=CC=C3)C4=CC=CC=C4","BTOQNPHNTXVOMO-UHFFFAOYSA-N","371955",NA,"PDBC26262","646712","Present"
-"5-Azido-5-phenyl-4h-pyrido[3,2,1-jk]carbazole-4,6(5h)-dione","","","","","","","","","","","","","","","","","","","","3-Azido-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione","","C1=CC=C(C=C1)C2(C(=O)C3=CC=CC4=C3N(C2=O)C5=CC=CC=C45)N=[N+]=[N-]","FXUGFEPYHIYZAS-UHFFFAOYSA-N","376998",NA,"PDBC26263","658216","Present"
-"5-Aziridinyl-3-hydroxymethyl-1-methylindole-4,7-dione","","","","","","","","","","","","","","","","","","","","5-aziridinyl-3-hydroxymethyl-1-methylindole-4,7-dione","","CN1C=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO","USDGEBQRMOVMBD-UHFFFAOYSA-N","10105331",NA,"PDBC26264","732423","Present"
-"5-Benzo[b]thiophen-3-yl-1H-indole-3-carbaldehyde","","","","","","","","","","","","","","","","","","","","5-Benzo[b]thiophen-3-yl-1H-indole-3-carbaldehyde","","C1=CC=C2C(=C1)C(=CS2)C3=CC4=C(C=C3)NC=C4C=O","YUWFYGOPTQGIQU-UHFFFAOYSA-N","4187155",NA,"PDBC26265","743364","Present"
-"5-Benzoxazolecarboxaldehyde, 2,3-dihydro-2-oxo-","","","","","","","","","","","","","","","","","","","","JPB 26","","C1=CC2=C(C=C1C=O)OC(=O)N2","IMJHZVCEOBDHMM-UHFFFAOYSA-N","391474",NA,"PDBC26266","690679","Present"
-"5-Benzoyl-1-methyl-2(1H)-pyridinone","","","","","","","","","","","","","","","","","","","","5-Benzoyl-1-methyl-2(1H)-pyridinone","","CN1C=C(C=CC1=O)C(=O)C2=CC=CC=C2","OSCXMPDVMFVLDH-UHFFFAOYSA-N","370864",NA,"PDBC26267","644597","Present"
-"5-Benzoyl-2-(4-nitrophenyl)-6-phenyl-1H-pyridazine-3,4-dione","","","","","","","","","","","","","","","","","","","","2-(4-Nitrophenyl)-6-phenyl-5-(phenylcarbonyl)-1,2-dihydropyridazine-3,4-dione","","C1=CC=C(C=C1)C2=C(C(=O)C(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4","HGTDDTHEHFIGPI-UHFFFAOYSA-N","404249",NA,"PDBC26268","720427","Present"
-"5-Benzoyl-2-methyl-1(2H)-isoquinolinone","","","","","","","","","","","","","","","","","","","","5-Benzoyl-2-methyl-1(2H)-isoquinolinone","","CN1C=CC2=C(C1=O)C=CC=C2C(=O)C3=CC=CC=C3","NRAISZORQBTEOR-UHFFFAOYSA-N","370869",NA,"PDBC26269","644602","Present"
-"5-Benzoyl-2-phenyl-1,3-oxazol-4(5h)-one","","","","","","","","","","","","","","","","","","","","5-Benzoyl-2-phenyl-1,3-oxazol-4(5h)-one","","C1=CC=C(C=C1)C2=NC(=O)C(O2)C(=O)C3=CC=CC=C3","METLMJXTPCQNPN-UHFFFAOYSA-N","271845",NA,"PDBC26270","115813","Present"
-"5-Benzoyl-6H-phenanthridine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Benzoyl-6H-phenanthridine-6-carbonitrile","","C1=CC=C(C=C1)C(=O)N2C(C3=CC=CC=C3C4=CC=CC=C42)C#N","WFDDVLVUEIUGCT-UHFFFAOYSA-N","283305",NA,"PDBC26271","137805","Present"
-"5-Benzyl-2,4,6-trichloropyrimidine","","","","","","","","","","","","","","","","","","","","5-Benzyl-2,4,6-trichloropyrimidine","","C1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)Cl)Cl","DUUCYJQQRKIAKM-UHFFFAOYSA-N","260789",NA,"PDBC26272","92504","Present"
-"5-Benzyl-2,4-dimethyl-1,3-oxazole","","","","","","","","","","","","","","","","","","","","5-Benzyl-2,4-dimethyl-1,3-oxazole","","CC1=C(OC(=N1)C)CC2=CC=CC=C2","QOOMBUBMRAJRJS-UHFFFAOYSA-N","384232",NA,"PDBC26273","673648","Present"
-"5-Benzyl-3-(2-hydroxypropyl)imidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Benzyl-3-(2-hydroxypropyl)imidazolidine-2,4-dione","","CC(CN1C(=O)C(NC1=O)CC2=CC=CC=C2)O","GKTMNTZZQVZCBY-UHFFFAOYSA-N","359150",NA,"PDBC26274","619829","Present"
-"5-Benzyl-3-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","5-Benzyl-3-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione","","C1N(CSC(=S)N1CC2=CC=CO2)CC3=CC=CC=C3","YVGRTHFXWYEKNL-UHFFFAOYSA-N","327741",NA,"PDBC26275","303870","Present"
-"5-Benzyl-3-[(E)-(4-methoxyphenyl)methylideneamino]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-imine","","","","","","","","","","","","","","","","","","","","5-Benzyl-3-[(E)-(4-methoxyphenyl)methylideneamino]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-imine","","CC1=C(C2=C(N1)N=CN(C2=N)N=CC3=CC=C(C=C3)OC)CC4=CC=CC=C4","KDOFJLUSCKZUMY-QWMNDZAJSA-N","135505226",NA,"PDBC26276","706032","Present"
-"5-Benzyl-3-[(E)-benzylideneamino]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-imine","","","","","","","","","","","","","","","","","","","","5-Benzyl-3-[(E)-benzylideneamino]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-imine","","CC1=C(C2=C(N1)N=CN(C2=N)N=CC3=CC=CC=C3)CC4=CC=CC=C4","JCETUJSRVMDVBW-KUOBXQLNSA-N","135505220",NA,"PDBC26277","704880","Present"
-"5-Benzyl-3-butylimidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Benzyl-3-n-butyl hydantoin","","CCCCN1C(=O)C(NC1=O)CC2=CC=CC=C2","ZOTOLRCNCFQPTN-UHFFFAOYSA-N","359148",NA,"PDBC26278","619827","Present"
-"5-Benzyl-4-ethoxy-2-methyl-1H,6H-2,6a,10b-triazafluoranthene-1,3,6(2H)-trione","","","","","","","","","","","","","","","","","","","","5-Benzyl-4-ethoxy-2-methyl-1H,6H-2,6a,10b-triazafluoranthene-1,3,6(2H)-trione","","CCOC1=C(C(=O)N2C3=CC=CC=C3N4C2=C1C(=O)N(C4=O)C)CC5=CC=CC=C5","PTPUOWXJUIDXMM-UHFFFAOYSA-N","364728",NA,"PDBC26279","631386","Present"
-"5-Benzyl-4-imino-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine","","","","","","","","","","","","","","","","","","","","5-Benzyl-6-methyl-pyrrolo[2,3-d]pyrimidine-3,4-diamine","","CC1=C(C2=C(N1)N=CN(C2=N)N)CC3=CC=CC=C3","BZRHCLLYLRMCDK-UHFFFAOYSA-N","135468833",NA,"PDBC26280","690965","Present"
-"5-Benzyl-4-imino-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine","","","","","","","","","","","","","","","","","","","","5-Benzyl-4-imino-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine","","CC1=C(C2=C(N1)N=CN(C2=N)NC3=CC=CC=C3)CC4=CC=CC=C4","ZPXCEHBWELQWRF-UHFFFAOYSA-N","135426658",NA,"PDBC26281","706031","Present"
-"5-Benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one","","","","","","","","","","","","","","","","","","","","2-Thioxo-5-benzyl-5-methylimidazolidine-4-one","","CC1(C(=O)NC(=S)N1)CC2=CC=CC=C2","VUGNAMMGEFVNMZ-UHFFFAOYSA-N","3765805",NA,"PDBC26282","619830","Present"
-"5-Benzyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Benzyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione","","CCC(C)CN1C(=O)C(NC1=O)(C)CC2=CC=CC=C2","RQDNQTMAAZTLKP-UHFFFAOYSA-N","359152",NA,"PDBC26283","619831","Present"
-"5-Benzyl-5-phenylbenzo[b]phosphindol-5-ium;chloride","","","","","","","","","","","","","","","","","","","","NSC666495","","C1=CC=C(C=C1)C[P+]2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5.[Cl-]","QDGCOKUUQMLTTA-UHFFFAOYSA-M","380784",NA,"PDBC26284","666495","Present"
-"5-Benzyl-5-pyridin-3-ylimidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-BENZYL-5-(3-PYRIDYL)HYDANTOIN","","C1=CC=C(C=C1)CC2(C(=O)NC(=O)N2)C3=CN=CC=C3","PCPFITWOBPHEGE-UHFFFAOYSA-N","219320",NA,"PDBC26285","479","Present"
-"5-Benzyl-5H-benzo[b]phosphindole 5-oxide","","","","","","","","","","","","","","","","","","","","5-Benzyl-5H-benzo[b]phosphindole 5-oxide","","C1=CC=C(C=C1)CP2(=O)C3=CC=CC=C3C4=CC=CC=C24","WDWIJSHBEURMKM-UHFFFAOYSA-N","380786",NA,"PDBC26286","666496","Present"
-"5-Benzyl-6-hydrazinyl-3-phenyl-1,2,4-triazine","","","","","","","","","","","","","","","","","","","","5-Benzyl-6-hydrazinyl-3-phenyl-1,2,4-triazine","","C1=CC=C(C=C1)CC2=C(N=NC(=N2)C3=CC=CC=C3)NN","OUJNAEXHFFDFNF-UHFFFAOYSA-N","375115",NA,"PDBC26287","654238","Present"
-"5-Benzyl-6-hydroxy-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane-4-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Benzyl-6-hydroxy-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane-4-carbonitrile","","C1C2C3C4C1C5C2C6(C3C4C5(N6CC7=CC=CC=C7)O)C#N","LTSIVNHXUOTKTL-UHFFFAOYSA-N","371681",NA,"PDBC26288","646118","Present"
-"5-Benzyl-6-oxo-4,5-dihydro-6H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 5-benzyl-6-oxo-5,6-dihydro-4h-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylate","","COC(=O)C1=NN2C(=N1)CN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4","SCORAAYAWBQUSY-UHFFFAOYSA-N","401216",NA,"PDBC26289","714420","Present"
-"5-Benzyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione","","","","","","","","","","","","","","","","","","","","5-Benzyl-5,6,7,8-tetrahydro-indeno[1,2-b]indole-9,10-dione","","C1CC2=C(C(=O)C1)C3=C(N2CC4=CC=CC=C4)C5=CC=CC=C5C3=O","GCBBQAMPVJFUPC-UHFFFAOYSA-N","406017",NA,"PDBC26290","723897","Present"
-"5-Benzyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one","","","","","","","","","","","","","","","","","","","","5-Benzyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one","","C1=CC=C(C=C1)CN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O","KBWYFFCXQKUBNZ-UHFFFAOYSA-N","406582",NA,"PDBC26291","724794","Present"
-"5-Benzyl-N-propyl-3,4-dihydro-1H-1,5-benzodiazepin-2-imine","","","","","","","","","","","","","","","","","","","","5-Benzyl-N-propyl-3,4-dihydro-1H-1,5-benzodiazepin-2-imine","","CCCN=C1CCN(C2=CC=CC=C2N1)CC3=CC=CC=C3","VCZIPRMAGDQYEM-UHFFFAOYSA-N","135426648",NA,"PDBC26292","705837","Present"
-"5-Benzylbenzene-1,3-diamine","","","","","","","","","","","","","","","","","","","","Toluene-3,5-diamine, .alpha.-phenyl-","","C1=CC=C(C=C1)CC2=CC(=CC(=C2)N)N","KIATVFIARSSXER-UHFFFAOYSA-N","258035",NA,"PDBC26293","86681","Present"
-"5-Benzylidene-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","5-Benzylidene-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone","","C1CCN(CC1)CN2C(=O)C(=CC3=CC=CC=C3)NC2=S","DGAPYHCFPZTUGD-KAMYIIQDSA-N","5469473",NA,"PDBC26294","688935","Present"
-"5-Benzylidene-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone","","","","","","","","","","","","","","","","","","","","5-Benzylidene-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone","","C1COCCN1CN2C(=O)C(=CC3=CC=CC=C3)NC2=S","KEYLNZPCXRTRHX-RAXLEYEMSA-N","5469467",NA,"PDBC26295","688929","Present"
-"5-Benzylidene-9-butyl-2,3,5,6,7,8-hexahydroacridin-4(1H)-one","","","","","","","","","","","","","","","","","","","","(5E)-5-Benzylidene-9-butyl-1,2,3,6,7,8-hexahydroacridin-4-one","","CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCCC4=O","ZJLRELFNKUJYGZ-FBMGVBCBSA-N","5467329",NA,"PDBC26296","650746","Present"
-"5-Benzyloxybenzylbarbituric acid","","","","","","","","","","","","","","","","","","","","5-(m-Benzyloxy)benzylbarbituric Acid","","C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3C(=O)NC(=O)NC3=O","LHGZUAAZPCYFIW-UHFFFAOYSA-N","192294",NA,"PDBC26297","685357","Present"
-"5-Benzylsulfanyl-1-(4-chlorophenyl)-3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,2,4-triazole","","","","","","","","","","","","","","","","","","","","5-Benzylsulfanyl-1-(4-chlorophenyl)-3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,2,4-triazole","","COC1=CC(=C(C=C1)OC)C=CC2=NN(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl","QUFOJWJVLRRWFD-OVCLIPMQSA-N","60148003",NA,"PDBC26298","753435","Present"
-"5-Benzylsulfanyl-2-phenyl-6-thia-4-azaspiro[2.4]hept-4-en-7-one","","","","","","","","","","","","","","","","","","","","5-Benzylsulfanyl-1-phenyl-6-thia-4-azaspiro[2.4]hept-4-en-7-one","","C1C(C12C(=O)SC(=N2)SCC3=CC=CC=C3)C4=CC=CC=C4","LIJGKDZNDFHBDY-UHFFFAOYSA-N","399304",NA,"PDBC26299","709993","Present"
-"5-Benzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","","","","","","","","","","","","","","","","","","","5-Benzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione","","C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)NC(=O)N3","VUIKKDVSYAKXAD-UHFFFAOYSA-N","365909",NA,"PDBC26300","634030","Present"
-"5-Benzyltriazolo[3,4-b]thiadiazol-2-thiol","","","","","","","","","","","","","","","","","","","","5-Benzyltriazolo[3,4-b]thiadiazol-2-thiol","","C1=CC=C(C=C1)CC2=NN=C3N2NC(=S)S3","YTXYPBGFOFQODO-UHFFFAOYSA-N","5473015",NA,"PDBC26301","723445","Present"
-"5-Bromo-1,3-dichlorocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","5-Bromo-1,3-dichloro-4h-cyclopenta[c]thiophen-4-one","","C1=C(C(=O)C2=C(SC(=C21)Cl)Cl)Br","ZXVRGUHEUKLWPK-UHFFFAOYSA-N","400226",NA,"PDBC26302","711744","Present"
-"5-Bromo-1-((2-(4-bromophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","5-Bromo-1-[[2-(4-bromophenyl)-4-methylene-5-oxo-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione","","C=C1CC(OC1=O)(CN2C=C(C(=O)NC2=O)Br)C3=CC=C(C=C3)Br","HBPZUXCPAVPCAW-UHFFFAOYSA-N","381503",NA,"PDBC26303","668259","Present"
-"5-Bromo-1-(1-ethoxyethoxy)pent-2-yne","","","","","","","","","","","","","","","","","","","","5-Bromo-1-(1-ethoxyethoxy)pent-2-yne","","CCOC(C)OCC#CCCBr","UEMPDGMNEICTBQ-UHFFFAOYSA-N","359566",NA,"PDBC26304","620557","Present"
-"5-Bromo-1-[4-[(4-fluorophenyl)methyl-hydroxyamino]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Bromo-1-[4-[(4-fluorophenyl)methyl-hydroxyamino]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1=CC(=CC=C1CN(C2C(OC(C2O)N3C=C(C(=O)NC3=O)Br)CO)O)F","AOEAPVUYCYGGFU-UHFFFAOYSA-N","375109",NA,"PDBC26305","654224","Present"
-"5-Bromo-1-[[4-methylidene-5-oxo-2-(4-phenylphenyl)oxolan-2-yl]methyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","2-(5-Bromouracil-1-yl)-4-methylene-5-oxo-2-(p-phenylphen...","","C=C1CC(OC1=O)(CN2C=C(C(=O)NC2=O)Br)C3=CC=C(C=C3)C4=CC=CC=C4","PIBKIDIBQULXPL-UHFFFAOYSA-N","381504",NA,"PDBC26306","668260","Present"
-"5-Bromo-2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one","","","","","","","","","","","","","","","","","","","","5-Bromo-2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one","","C1=CC2=C(C=C1Br)C(=C(N2)O)C3=NC4=C(C3=O)C=C(C=C4)Br","NRFIAFHOBIQDRE-UHFFFAOYSA-N","403167",NA,"PDBC26307","717819","Present"
-"5-Bromo-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol","","","","","","","","","","","","","","","","","","","","5-Bromo-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol","","COC1C(C(C(C(O1)CO)O)O)Br","NZTHEWLNMKBFDI-UHFFFAOYSA-N","359631",NA,"PDBC26308","620690","Present"
-"5-Bromo-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Bromo-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzofu...","","C1=CC2=C(C=C1Br)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","OHDFDJFHYCARPR-WDZFZDKYSA-N","10893040",NA,"PDBC26309","772271","Present"
-"5-Bromo-2-butoxybenzene-1,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","5-Bromo-2-butoxy-benzene-1,3-dicarboxylic acid","","CCCCOC1=C(C=C(C=C1C(=O)O)Br)C(=O)O","PLCOUAYEFACRMW-UHFFFAOYSA-N","395727",NA,"PDBC26310","700526","Present"
-"5-Bromo-2-carboxy-8-methoxy-1,2,3,4-tetrahydronaphthalene","","","","","","","","","","","","","","","","","","","","2-Naphthalenecarboxylic acid, 5-bromo-1,2,3,4-tetrahydro...","","COC1=C2CC(CCC2=C(C=C1)Br)C(=O)O","SHWPEYMQAQIQFK-UHFFFAOYSA-N","372187",NA,"PDBC26311","647137","Present"
-"5-Bromo-2-hydroxy-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide","","","","","","","","","","","","","","","","","","","","5-Bromo-2-hydroxy-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide","","C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)O","KUVLTGYDEWFRLP-UHFFFAOYSA-N","330528",NA,"PDBC26312","319464","Present"
-"5-Bromo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide","","","","","","","","","","","","","","","","","","","","5-bromo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide","","C1=CC=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)Br)C(=O)N","JZBSYFUDPOXALL-RMKNXTFCSA-N","53329234",NA,"PDBC26313","748146","Present"
-"5-Bromo-3-(4-chloroanilino)indol-2-one","","","","","","","","","","","","","","","","","","","","Maybridge1_003242","","C1=CC(=CC=C1N=C2C3=C(C=CC(=C3)Br)NC2=O)Cl","GTYLCWOHDGSQIQ-UHFFFAOYSA-N","135452426",NA,"PDBC26314","201434","Present"
-"5-Bromo-3-[(2-hydroxy-5-bromobenzylidene)amino]-2-(cyclohexylamino)benzofuran","","","","","","","","","","","","","","","","","","","","5-Bromo-3-[(2-hydroxy-5-bromobenzylidene)amino]-2-(cyclohexylamino)benzofuran","","C1CCC(CC1)NC2=C(C3=C(O2)C=CC(=C3)Br)N=CC4=C(C=CC(=C4)Br)O","DAWWAPUPNAZLOX-UHFFFAOYSA-N","376965",NA,"PDBC26315","658165","Present"
-"5-Bromo-3-[(2S,5S)-5-(5-bromo-1H-indol-3-yl)piperazin-2-yl]-1H-indole;hydrobromide","","","","","","","","","","","","","","","","","","","","5-Bromo-3-[(2S,5S)-5-(5-bromo-1H-indol-3-yl)piperazin-2-yl]-1H-indole;hydrobromide","","C1C(NCC(N1)C2=CNC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br.Br","FPIFXMKZHHYXKE-GZJHNZOKSA-N","54608160",NA,"PDBC26316","678531","Present"
-"5-Bromo-3-acetyl-2H-1-benzopyran-2-one","","","","","","","","","","","","","","","","","","","","3-Acetyl-5-bromo-2h-chromen-2-one","","CC(=O)C1=CC2=C(C=CC=C2Br)OC1=O","ZUWZRNYWRVWVKR-UHFFFAOYSA-N","269936",NA,"PDBC26317","111657","Present"
-"5-Bromo-3-cyclohexyl-2-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","5-Bromo-3-cyclohexyl-2-hydroxybenzamide","","C1CCC(CC1)C2=C(C(=CC(=C2)Br)C(=O)N)O","UNSUXNUUERMPHL-UHFFFAOYSA-N","222105",NA,"PDBC26318","7420","Present"
-"5-Bromo-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5-Bromo-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one","","C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C=CC(=C4)Br)NC3=O)O","YKEDCAYCWFVNAF-UHFFFAOYSA-N","366647",NA,"PDBC26319","635322","Present"
-"5-Bromo-3-pyridin-3-ylimino-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","5-Bromo-3-pyridin-3-ylimino-1H-indol-2-one","","C1=CC(=CN=C1)N=C2C3=C(C=CC(=C3)Br)NC2=O","GDPLLJMLTUBHPH-UHFFFAOYSA-N","135432053",NA,"PDBC26320","201428","Present"
-"5-Bromo-3H-triazolo[4,5-d]pyrimidin-7-ol","","","","","","","","","","","","","","","","","","","","5-Bromo-3H-triazolo[4,5-d]pyrimidin-7-ol","","C12=NNN=C1N=C(NC2=O)Br","VNZFGKZJYJRQGA-UHFFFAOYSA-N","135440019",NA,"PDBC26321","680827","Present"
-"5-Bromo-5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyrazol]-2-one","","","","","","","","","","","","","","","","","","","","5-bromo-5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyraz...","","C1C(=NNC12C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4","IUQHKEGJONLANJ-UHFFFAOYSA-N","129885811",NA,"PDBC26322","767494","Present"
-"5-Bromo-5-chloro-6-hydroxy-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","5-Bromo-5-chloro-6-hydroxy-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione","","CN1C(C(C(=O)N(C1=O)C)(Cl)Br)O","KQQVKJJBCQARKS-UHFFFAOYSA-N","381307",NA,"PDBC26323","667745","Present"
-"5-Bromo-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-Bromo-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole","","C1CSC(S1)C2=CC3=C(C=C2Br)OCO3","SRCWKQMODRURGL-UHFFFAOYSA-N","372292",NA,"PDBC26324","647351","Present"
-"5-Bromo-6-(2-methyl-1,3-dithian-2-yl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-Bromo-6-(2-methyl-1,3-dithian-2-yl)-1,3-benzodioxole","","CC1(SCCCS1)C2=CC3=C(C=C2Br)OCO3","DMOZTQIEWWPZEE-UHFFFAOYSA-N","359193",NA,"PDBC26325","619875","Present"
-"5-Bromo-6-(3,4,5-trimethoxybenzyl)-1,3-benzodioxole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-Bromo-6-(3,4,5-trimethoxybenzyl)-1,3-benzodioxole-4-carboxylic acid","","COC1=CC(=CC(=C1OC)OC)CC2=CC3=C(C(=C2Br)C(=O)O)OCO3","BOTBWCNYYXLNGM-UHFFFAOYSA-N","390041",NA,"PDBC26326","686955","Present"
-"5-Bromo-6-(5-methyl-1,3-benzodithiol-2-yl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-Bromo-6-(5-methyl-1,3-benzodithiol-2-yl)-1,3-benzodioxole","","CC1=CC2=C(C=C1)SC(S2)C3=CC4=C(C=C3Br)OCO4","RRVWEMDKQTVSTK-UHFFFAOYSA-N","372336",NA,"PDBC26327","647394","Present"
-"5-Bromo-6-[[(E)-3-nitroallyloxy]methyl]-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-Bromo-6-[[(E)-3-nitroallyloxy]methyl]-1,3-benzodioxole","","C1OC2=C(O1)C=C(C(=C2)COCC=C[N+](=O)[O-])Br","MLFRYNXYNRRLRL-OWOJBTEDSA-N","5470336",NA,"PDBC26328","699769","Present"
-"5-Bromo-6-amino-1-(2'-hydroxyethoxymethyl)uracil","","","","","","","","","","","","","","","","","","","","5-Bromo-6-amino-1-(2'-hydroxyethoxymethyl)uracil","","C(COCN1C(=C(C(=O)NC1=O)Br)N)O","ZJXMHJJPJLIXOE-UHFFFAOYSA-N","365668",NA,"PDBC26329","633522","Present"
-"5-Bromo-6-azido-1-(2'-hydroxyethoxymethyl)uracil","","","","","","","","","","","","","","","","","","","","5-Bromo-6-azido-1-(2'-hydroxyethoxymethyl)uracil","","C(COCN1C(=C(C(=O)NC1=O)Br)N=[N+]=[N-])O","YCQGAPFASIURKM-UHFFFAOYSA-N","3004160",NA,"PDBC26330","633523","Present"
-"5-Bromo-6-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","5-Bromo-6-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine","","CN1CCN(CC1)C2=NC(=C(C(=N2)Cl)Br)N","JXTHAGZLFHEXKF-UHFFFAOYSA-N","360769",NA,"PDBC26331","623109","Present"
-"5-Bromo-6-chloro-2-ethenyl-6-methyl-1,2-oxidoheptane","","","","","","","","","","","","","","","","","","","","5-bromo-6-chloro-2-ethenyl-6-methyl-1,2-oxidoheptane","","CC(C)(C(CCC1(CO1)C=C)Br)Cl","ZPKOZZALXQPVET-UHFFFAOYSA-N","379051",NA,"PDBC26332","662821","Present"
-"5-Bromo-6-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","","","","","","","","","","","","","","","","","","","","(1R)-(-)-5-endo-Bromo-6-endo-hydroxycamphor","","CC1(C2CC(=O)C1(C(C2Br)O)C)C","YFOGAKDZBMEIPI-UHFFFAOYSA-N","376766",NA,"PDBC26333","657823","Present"
-"5-Bromo-6-nitroisatin","","","","","","","","","","","","","","","","","","","","5-bromo-6-nitroisatin","","C1=C2C(=CC(=C1Br)[N+](=O)[O-])NC(=O)C2=O","LLNUDSDAFYWGRT-UHFFFAOYSA-N","373211",NA,"PDBC26334","649178","Present"
-"5-Bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","5-Bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide","","C1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)S(=O)(=O)N)Br","HWJCZZDWWVVARW-UHFFFAOYSA-N","394566",NA,"PDBC26335","698131","Present"
-"5-Bromo-7-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 5-bromo-7-[(4-phenyl-1-piperazinyl)methyl]-","","C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Br)C4=CC=CC=C4","CMIBCLNTDXWVDH-UHFFFAOYSA-N","272568",NA,"PDBC26336","117028","Present"
-"5-Bromo-7-hydroxy-3,4,8b-trimethyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one","","","","","","","","","","","","","","","","","","","","5-Bromo-7-hydroxy-3,4,8b-trimethyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one","","CC12CC(=O)N(C1N(C3=C2C=C(C=C3Br)O)C)C","WXPHLDITUIHZAP-UHFFFAOYSA-N","368807",NA,"PDBC26337","640072","Present"
-"5-Bromo-7-hydroxy-6-methoxy-benzofuran-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","5-bromo-7-hydroxy-6-methoxy-benzofuran-2-carboxylic acid...","","CC1=C(OC2=C(C(=C(C=C12)Br)OC)O)C(=O)OC","YLMDLKJVHWRZOO-UHFFFAOYSA-N","24204520",NA,"PDBC26338","732109","Present"
-"5-Bromo-7-methoxy-2-(2-thienyl)-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","5-Bromo-7-methoxy-2-(2-thienyl)-1,3-benzoxazole","","COC1=CC(=CC2=C1OC(=N2)C3=CC=CS3)Br","DUHIRPOEHIKLDN-UHFFFAOYSA-N","384437",NA,"PDBC26339","674215","Present"
-"5-Bromo-N-(2-chlorophenyl)-N-(6-chloro-7-methyl-1, 4,2-benzodithiazin-3-yl)-2-thienylsulfonamide","","","","","","","","","","","","","","","","","","","","5-Bromo-N-(2-chlorophenyl)-N-(6-chloro-7-methyl-1,1-diox...","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=C(S4)Br","XPBARBQPWMOYRS-UHFFFAOYSA-N","24206074",NA,"PDBC26340","740011","Present"
-"5-Bromo-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Bromo-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide","","CC1C(=O)N(C2(S1)CCCCC2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5","QVXVNCRZHRJCEN-UHFFFAOYSA-N","24205438",NA,"PDBC26341","735532","Present"
-"5-Bromo-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Bromo-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)-3-phenyl-1H-indole-2-carboxamide","","C1CCC2(C1)N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5","MWXOBRAOOBZFOH-UHFFFAOYSA-N","24205440",NA,"PDBC26342","735534","Present"
-"5-Bromo-N-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Bromo-N-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide","","C1CCC2(CC1)N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5","ULTLIRCZHQBKNH-UHFFFAOYSA-N","24205439",NA,"PDBC26343","735533","Present"
-"5-Bromo-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Bromo-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide","","C1=C(OC(=C1)[N+](=O)[O-])C=CC=NNC(=O)C2=CC=C(S2)Br","ZWLOUSZGJLDFGD-KGYSUWQBSA-N","9572560",NA,"PDBC26344","720238","Present"
-"5-Bromosalicylaldehyde (5-nitro-2-pyridyl)hydrazone","","","","","","","","","","","","","","","","","","","","LS-144122","","C1=CC(=C(C=C1Br)C=NNC2=NC=C(C=C2)[N+](=O)[O-])O","ZQIADEYGHBCJQP-UUASQNMZSA-N","135408600",NA,"PDBC26345","52427","Present"
-"5-Butan-2-yl-2,4,6-trichloropyrimidine","","","","","","","","","","","","","","","","","","","","5-Butan-2-yl-2,4,6-trichloropyrimidine","","CCC(C)C1=C(N=C(N=C1Cl)Cl)Cl","UMJHCDWEUQUBNJ-UHFFFAOYSA-N","260781",NA,"PDBC26346","92495","Present"
-"5-Butyl-2,3-diphenyl-1,4-dithiine","","","","","","","","","","","","","","","","","","","","5-Butyl-2,3-diphenyl-1,4-dithiine","","CCCCC1=CSC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3","AGELAKVYFZHFTN-UHFFFAOYSA-N","360775",NA,"PDBC26347","623129","Present"
-"5-Butyl-2-(4-methoxyphenyl)-4-propyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-Butyl-2-(4-methoxyphenyl)-4-propyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CCCCC1C(C2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=C(C=C5)OC)CCC","PMONBFSPMKSPTJ-UHFFFAOYSA-N","379253",NA,"PDBC26348","663667","Present"
-"5-Butyl-3-(3-nitrophenyl)-4,5-dihydroisoxazole","","","","","","","","","","","","","","","","","","","","5-Butyl-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole","","CCCCC1CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-]","ZNTMTVVDNBCKBS-UHFFFAOYSA-N","368756",NA,"PDBC26349","639910","Present"
-"5-Butyl-3-(4-chlorophenyl)-4,5-dihydroisoxazole","","","","","","","","","","","","","","","","","","","","5-Butyl-3-(4-chlorophenyl)-4,5-dihydroisoxazole","","CCCCC1CC(=NO1)C2=CC=C(C=C2)Cl","UZHBKYYMQHRQFG-UHFFFAOYSA-N","368755",NA,"PDBC26350","639909","Present"
-"5-Butyl-5-[(4-morfolinyl)methyl]2-[(4-carbethoxymethylthiazo l-2-yl)imino]-4-thiazolidinone","","","","","","","","","","","","","","","","","","","","5-Butyl-5-[(4-morfolinyl)methyl]2-[(4-carbethoxymethylth...","","CCCCC1(C(=O)NC(=NC2=NC(=CS2)CC(=O)OCC)S1)CN3CCOCC3","MJVZWEXYDNYLKQ-UHFFFAOYSA-N","135580418",NA,"PDBC26351","736279","Present"
-"5-Butyryl-1-methyl-2(1H)-pyridinone","","","","","","","","","","","","","","","","","","","","5-Butyryl-1-methyl-2(1H)-pyridinone","","CCCC(=O)C1=CN(C(=O)C=C1)C","COTMYSWOSDWCOY-UHFFFAOYSA-N","370862",NA,"PDBC26352","644595","Present"
-"5-Chloro-1,3,3-trimethyl-2-methyleneindoline","","","","","","","","","","","","","","","","","","","","indoline, 5-chloro-1,3,3-trimethyl-2-methylene- (8ci)","","CC1(C(=C)N(C2=C1C=C(C=C2)Cl)C)C","VDMXGJJMPKAYQP-UHFFFAOYSA-N","81308",NA,"PDBC26353","158263","Present"
-"5-Chloro-1-(3-O-benzoyl-2,6-dideoxy-alpha-L-glycero-hex-2-enopyranos-4-ulosyl) uracil","","","","","","","","","","","","","","","","","","","","5-Chloro-1-(3-O-benzoyl-2,6-dideoxy-.alpha.-L-glycero-he...","","CC1C(=O)C(=CC(O1)N2C=C(C(=O)NC2=O)Cl)OC(=O)C3=CC=CC=C3","PQRXZUOVFGTYQQ-UHFFFAOYSA-N","365891",NA,"PDBC26354","633972","Present"
-"5-Chloro-1-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-9H-fluoren-9-one","","","","","","","","","","","","","","","","","","","","5-Chloro-1-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-9H-fluoren-9-one","","CC1(COC(=N1)C2=CC=CC3=C2C(=O)C4=C3C(=CC=C4)Cl)C","WGIRZDQENSXJQF-UHFFFAOYSA-N","370765",NA,"PDBC26355","644288","Present"
-"5-Chloro-1-(4,5-dihydro-1H-imidazole-2-yl)-3-(pyrrolizinocarbonyl)-1H-benzimidazole-2(3H)-imine","","","","","","","","","","","","","","","","","","","","[6-Chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-iminobenzimidazol-1-yl]-pyrrolidin-1-ylmethanone","","C1CCN(C1)C(=O)N2C3=C(C=CC(=C3)Cl)N(C2=N)C4=NCCN4","ZXOKALBZYAEQES-UHFFFAOYSA-N","400915",NA,"PDBC26356","713599","Present"
-"5-Chloro-1-oxido-2-phenylindol-1-ium-3-one","","","","","","","","","","","","","","","","","","","","5-chloro-1-oxido-2-phenyl-indol-1-ium-3-one","","C1=CC=C(C=C1)C2=[N+](C3=C(C2=O)C=C(C=C3)Cl)[O-]","QDQMICQBCNQCIY-UHFFFAOYSA-N","362361",NA,"PDBC26357","626107","Present"
-"5-Chloro-2-((4-fluorobenzyl)sulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-chloro-2-{[(4-fluorophenyl)methane]sulfonyl}-N- (5-met...","","CC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F","IVZQUWCWXYFPOQ-UHFFFAOYSA-N","16446482",NA,"PDBC26358","789703","Present"
-"5-Chloro-2-(1H-indol-1-yl)-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","5-Chloro-2-(1H-indol-1-yl)-1,3-benzothiazole","","C1=CC=C2C(=C1)C=CN2C3=NC4=C(S3)C=CC(=C4)Cl","IROFCXZRUHPDIZ-UHFFFAOYSA-N","379953",NA,"PDBC26359","665145","Present"
-"5-Chloro-2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-1H-benzo[d]imidazole","","","","","","","","","","","","","","","","","","","","5-chloro-2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C3=NC4=C(N3)C=C(C=C4)Cl","JGSQUZBEDIGWSR-UHFFFAOYSA-N","136929712",NA,"PDBC26360","768421","Present"
-"5-Chloro-2-(4-chlorobenzyl)-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","5-Chloro-2-(4-chlorobenzyl)-1,3-benzoxazole","","C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)Cl)Cl","GPMLWTSJHYVADB-UHFFFAOYSA-N","401569",NA,"PDBC26361","715264","Present"
-"5-Chloro-2-(chloromethyl)-1,3-benzoxazole","","","","","","","","","","","","","","","","","","","","Benzoxazole, 5-chloro-2-(chloromethyl)-","","C1=CC2=C(C=C1Cl)N=C(O2)CCl","SMGVJNOYBXYDFB-UHFFFAOYSA-N","401571",NA,"PDBC26362","715266","Present"
-"5-Chloro-2-(o-tolyl)-1-oxido-indol-1-ium-3-one","","","","","","","","","","","","","","","","","","","","5-chloro-2-(o-tolyl)-1-oxido-indol-1-ium-3-one","","CC1=CC=CC=C1C2=[N+](C3=C(C2=O)C=C(C=C3)Cl)[O-]","JYEHVYQXKLGAKO-UHFFFAOYSA-N","362364",NA,"PDBC26363","626110","Present"
-"5-Chloro-2-({(2E)-3-[(6-chloro-3-hydroxyquinoxalin-2-yl)methyl]-2-hydrazono-4-methoxy-4-oxobutanoyl}amino)-4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","5-Chloro-2-[[(2E)-3-[(6-chloro-3-oxo-4H-quinoxalin-2-yl)methyl]-2-hydrazinylidene-4-methoxy-4-oxobutanoyl]amino]-4-methylbenzenesulfonic acid","","CC1=CC(=C(C=C1Cl)S(=O)(=O)O)NC(=O)C(=NN)C(CC2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","ZHOJXKTUXQOCGC-MTDXEUNCSA-N","9574370",NA,"PDBC26364","641423","Present"
-"5-Chloro-2-[(2-phenoxyacetyl)amino]benzamide","","","","","","","","","","","","","","","","","","","","5-chloro-2-(2-phenoxyacetamido)benzamide","","C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)N","CIGKJXXJTLFELJ-UHFFFAOYSA-N","122187997",NA,"PDBC26365","773277","Present"
-"5-Chloro-2-[(2-phenylbenzoyl)amino]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-carbamoyl-4-chlorophenyl)biphenyl-2-carboxamide","","C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N","XLRFYWXAIGRMCT-UHFFFAOYSA-N","137632631",NA,"PDBC26366","778843","Present"
-"5-Chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenol","","","","","","","","","","","","","","","","","","","","Phenol, 2,2'-methylenebis[5-chloro- (8CI9CI)","","C1=CC(=C(C=C1Cl)O)CC2=C(C=C(C=C2)Cl)O","PMYWWZKCZCXDPU-UHFFFAOYSA-N","94814",NA,"PDBC26367","3947","Present"
-"5-Chloro-2-[(4-nitrobenzoyl)amino]benzoic acid","","","","","","","","","","","","","","","","","","","","PHCUSRZMXVSBFJ-UHFFFAOYSA-N","","C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)[N+](=O)[O-]","PHCUSRZMXVSBFJ-UHFFFAOYSA-N","362495",NA,"PDBC26368","626518","Present"
-"5-Chloro-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Chloro-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof...","","C1=CC2=C(C=C1Cl)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","KZDFKLCZCSDWJP-WDZFZDKYSA-N","12024467",NA,"PDBC26369","772280","Present"
-"5-Chloro-2-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","5-Chloro-2-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C","XPYCIEZOJIEUKS-UHFFFAOYSA-N","279528",NA,"PDBC26370","130227","Present"
-"5-Chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","5-Chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C","FURZNMVXZOZPJF-UHFFFAOYSA-N","278507",NA,"PDBC26371","128186","Present"
-"5-Chloro-2-ethyl-4H-pyrido[3,2-g]quinoxalin-3-one","","","","","","","","","","","","","","","","","","","","5-Chloro-2-ethyl-4H-pyrido[3,2-g]quinoxalin-3-one","","CCC1=NC2=C(C(=C3C(=C2)C=CC=N3)Cl)NC1=O","PEOKNYMWBYXUBA-UHFFFAOYSA-N","403219",NA,"PDBC26372","717878","Present"
-"5-Chloro-2-hydrazino-4-(4-methoxybenzylidene)-4H-imidazole","","","","","","","","","","","","","","","","","","","","5-Chloro-2-hydrazino-4-(4-methoxybenzylidene)-4H-imidazole","","COC1=CC=C(C=C1)C=C2C(=NC(=N2)NN)Cl","FLWDNHRHUVKKSR-TWGQIWQCSA-N","5924811",NA,"PDBC26373","684404","Present"
-"5-Chloro-2-methyl-4-oxo-1,5-diazaspiro[5.5]undec-1-en-3-yl thiocyanate","","","","","","","","","","","","","","","","","","","","5-Chloro-2-methyl-4-oxo-1,5-diazaspiro[5.5]undec-1-en-3-yl thiocyanate","","CC1=NC2(CCCCC2)N(C(=O)C1SC#N)Cl","ZLRSAEBHZRFXLB-UHFFFAOYSA-N","381563",NA,"PDBC26374","668352","Present"
-"5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide","","","","","","","","","","","","","","","","","","","","5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide","","C1=CC=C(C=C1)P2(=S)NC3=C(N2)C=C(C=C3)Cl","BZBDLTMAECHPOY-UHFFFAOYSA-N","258918",NA,"PDBC26375","88381","Present"
-"5-Chloro-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide","","","","","","","","","","","","","","","","","","","","5-chloro-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide","","C1=CC=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)N","HYPSGXHZSSDILX-RMKNXTFCSA-N","53329233",NA,"PDBC26376","748145","Present"
-"5-Chloro-2H-1,2,3-triazole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","FCH3687539","","C1(=NNN=C1Cl)C(=O)O","RONLJTWPNUWVKD-UHFFFAOYSA-N","388837",NA,"PDBC26377","684032","Present"
-"5-Chloro-2[(E)-2-(4-nitrophenyl)vinyl]-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","5-chloro-2[(E)-2-(4-nitrophenyl)vinyl]-1H-benzimidazole","","C1=CC(=CC=C1C=CC2=NC3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-]","NVZVMJRWSLHMPR-FPYGCLRLSA-N","15373173",NA,"PDBC26378","736042","Present"
-"5-Chloro-2h-chromen-2-one","","","","","","","","","","","","","","","","","","","","5-Chlorocoumarin","","C1=CC2=C(C=CC(=O)O2)C(=C1)Cl","VYFHMNIBSWVKIH-UHFFFAOYSA-N","230978",NA,"PDBC26379","26427","Present"
-"5-Chloro-3,3-bis(6-methoxy-1-methylindol-3-yl)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","5-chloro-6'-methoxy-3-(6-methoxy-1H-indol-3-yl)-3,3'-bi(1'H-indol)-2-one","","CN1C=C(C2=C1C=C(C=C2)OC)C3(C4=C(C=CC(=C4)Cl)NC3=O)C5=CN(C6=C5C=CC(=C6)OC)C","KIZGVLRDEQKUEV-UHFFFAOYSA-N","155816040",NA,"PDBC26380","756898","Present"
-"5-Chloro-3-(1-phenyl-1H-tetraazol-5-yl)-1H-indole","","","","","","","","","","","","","","","","","","","","5-Chloro-3-(1-phenyl-1H-tetrazol-5-yl)-1H-indole","","C1=CC=C(C=C1)N2C(=NN=N2)C3=CNC4=C3C=C(C=C4)Cl","PXIVFERFHLBIGX-UHFFFAOYSA-N","406791",NA,"PDBC26381","725076","Present"
-"5-Chloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5-Chloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=CO3)O)Cl","QBHIUPQPVDCONJ-UHFFFAOYSA-N","366665",NA,"PDBC26382","635340","Present"
-"5-Chloro-3-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5-Chloro-3-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","CC1=CC(=CC2=C1NC(=O)C2(C(C)C(=O)C3=CC=C(C=C3)Cl)O)Cl","PQRBZIDVWQNJIV-UHFFFAOYSA-N","366645",NA,"PDBC26383","635320","Present"
-"5-Chloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5-Chloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)F)O)Cl","RHVQJNXKHKHQTA-UHFFFAOYSA-N","366723",NA,"PDBC26384","635440","Present"
-"5-Chloro-3-(bromomethyl)pyrido[2,3-g]quinoxaline-2(1H)-one","","","","","","","","","","","","","","","","","","","","3-(Bromomethyl)-5-chloropyrido[2,3-g]quinoxalin-2(1h)-one","","C1=CC2=CC3=C(C(=C2N=C1)Cl)N=C(C(=O)N3)CBr","YLEGGGIDXPNMTL-UHFFFAOYSA-N","403465",NA,"PDBC26385","718366","Present"
-"5-Chloro-3-(trifluoromethyl)pyrido[2,3-g]quinoxaline-2(1H)-one","","","","","","","","","","","","","","","","","","","","5-Chloro-3-(trifluoromethyl)pyrido[2,3-g]quinoxalin-2(1h)-one","","C1=CC2=CC3=C(C(=C2N=C1)Cl)N=C(C(=O)N3)C(F)(F)F","QQLLYDCHFHTYHQ-UHFFFAOYSA-N","403217",NA,"PDBC26386","717876","Present"
-"5-Chloro-3-[(Z)-[1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,...","","COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=C(NC4=C3C=C(C=C4)Cl)O)C=C5C2=NC6=CC=CC=C65","XKBTXGDVSVILHN-VKAVYKQESA-N","155813127",NA,"PDBC26387","761819","Present"
-"5-Chloro-3-[(Z)-[1-(3,5-dimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-((1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b...","","COC1=CC(=CC(=C1)C2=NC(=CC3=C(NC4=C3C=C(C=C4)Cl)O)C=C5C2=NC6=CC=CC=C65)OC","QILUGWVVEUGDFM-LGMDPLHJSA-N","155805106",NA,"PDBC26388","761834","Present"
-"5-Chloro-3-[(Z)-[1-(4-fluoro-3-methoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-((1-(4-fluoro-3-methoxyphenyl)-9H-pyrido[...","","COC1=C(C=CC(=C1)C2=NC(=CC3=C(NC4=C3C=C(C=C4)Cl)O)C=C5C2=NC6=CC=CC=C65)F","WSVVRAYRTIHPHY-SSZFMOIBSA-N","155805105",NA,"PDBC26389","761830","Present"
-"5-Chloro-3-[(Z)-[2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-((2-(3,4,5-trimethoxyphenyl)-3H-benzo[d]i...","","COC1=CC(=CC(=C1OC)OC)C2=NC3=CC(=CC4=C(NC5=C4C=C(C=C5)Cl)O)C=CC3=N2","YERKNGQZWXFQPD-JYRVWZFOSA-N","155811197",NA,"PDBC26390","763692","Present"
-"5-Chloro-3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-((2-(3,5-difluorophenyl)-3H-benzo[d]imida...","","C1=CC2=C(C=C1Cl)C(=C(N2)O)C=C3C=CC4=NC(=NC4=C3)C5=CC(=CC(=C5)F)F","GWNVINVNUUSGEG-WZUFQYTHSA-N","155810050",NA,"PDBC26391","763633","Present"
-"5-Chloro-3-[(Z)-[2-(4-fluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-((2-(4-fluorophenyl)-3H-benzo[d]imidazol-...","","C1=CC(=CC=C1C2=NC3=CC(=CC4=C(NC5=C4C=C(C=C5)Cl)O)C=CC3=N2)F","WLXOQCHCRCGBIU-XFXZXTDPSA-N","155805098",NA,"PDBC26392","763625","Present"
-"5-Chloro-3-[(Z)-[2-(4-methoxyphenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-((2-(4-methoxyphenyl)-3H-benzo[d]imidazol...","","COC1=CC=C(C=C1)C2=NC3=CC(=CC4=C(NC5=C4C=C(C=C5)Cl)O)C=CC3=N2","FKQHHLAZIRDNJP-RAXLEYEMSA-N","137225047",NA,"PDBC26393","763684","Present"
-"5-Chloro-3-[(Z)-[2-[4-(trifluoromethyl)phenyl]benzimidazol-5-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-5-chloro-3-((2-(4-(trifluoromethyl)phenyl)-3H-benzo[...","","C1=CC(=CC=C1C2=NC3=CC(=CC4=C(NC5=C4C=C(C=C5)Cl)O)C=CC3=N2)C(F)(F)F","RQAGEADOQLXZMQ-XFXZXTDPSA-N","155816050",NA,"PDBC26394","763643","Present"
-"5-Chloro-3-[5-(5-chloro-1-methylindol-3-yl)thiophen-2-yl]-1-methylindole","","","","","","","","","","","","","","","","","","","","3,3?-THIENE-2,5-DIYLBIS(5-CHLORO-1-METHYL-1H-INDOLE)","","CN1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(S3)C4=CN(C5=C4C=C(C=C5)Cl)C","OTUXETQHUVDMFV-UHFFFAOYSA-N","45027914",NA,"PDBC26395","740106","Present"
-"5-Chloro-3-hydroxy-7-methyl-3-(2-(4-methylphenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","5-Chloro-3-hydroxy-7-methyl-3-(2-(4-methylphenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","CC1=CC=C(C=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)C)NC2=O)O","SIKDAOIHNMSSBI-UHFFFAOYSA-N","366640",NA,"PDBC26396","635315","Present"
-"5-Chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","NSC635313///5-chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-...","","CC1=CC(=CC2=C1NC(=O)C2(C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O)Cl","JMXWDYGKEGMKQH-UHFFFAOYSA-N","366638",NA,"PDBC26397","635313///635435","Present"
-"5-Chloro-3-isopropylpyrido[2,3-g]quinoxalin-2-ol","","","","","","","","","","","","","","","","","","","","5-Chloro-3-isopropylpyrido[2,3-g]quinoxalin-2-ol","","CC(C)C1=NC2=C(C=C3C=CC=NC3=C2Cl)NC1=O","YVLHHQVCPCBZRW-UHFFFAOYSA-N","393631",NA,"PDBC26398","695839","Present"
-"5-Chloro-3-nitro-benzimidazolo[1,2-a]quinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Chloro-3-nitrobenzimidazo[1,2-a]quinoline-6-carbonitrile","","C1=CC=C2C(=C1)N=C3N2C4=C(C=C(C=C4)[N+](=O)[O-])C(=C3C#N)Cl","RLTLLIMCLGWMFF-UHFFFAOYSA-N","393011",NA,"PDBC26399","694261","Present"
-"5-Chloro-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","ACT06313","","C1=CC2=C(C(=C1)Cl)C(=O)NC=N2","ZDPCOXNOQQRKCN-UHFFFAOYSA-N","135429916",NA,"PDBC26400","601362","Present"
-"5-Chloro-4-(chloro(difluoro)methyl)-5,5-difluoro-4-hydroxy-2-pentanone","","","","","","","","","","","","","","","","","","","","5-Chloro-4-(chloro(difluoro)methyl)-5,5-difluoro-4-hydroxy-2-pentanone","","CC(=O)CC(C(F)(F)Cl)(C(F)(F)Cl)O","WQHXNSZSKHEVHP-UHFFFAOYSA-N","377601",NA,"PDBC26401","659176","Present"
-"5-Chloro-4-(chloro(difluoro)methyl)-5,5-difluoro-4-hydroxy-2-pentanone phenylhydrazone","","","","","","","","","","","","","","","","","","","","5-Chloro-4-(chloro(difluoro)methyl)-5,5-difluoro-4-hydroxy-2-pentanone phenylhydrazone","","CC(=NNC1=CC=CC=C1)CC(C(F)(F)Cl)(C(F)(F)Cl)O","YIDSSMPKFICQOR-UFWORHAWSA-N","6287608",NA,"PDBC26402","663988","Present"
-"5-Chloro-4-[(2E)-2-(2-oxo-1,2-diphenylethylidene)hydrazinyl]-1H-pyridazin-6-one","","","","","","","","","","","","","","","","","","","","5-Chloro-4-[(2E)-2-(2-oxo-1,2-diphenylethylidene)hydrazinyl]-1H-pyridazin-6-one","","C1=CC=C(C=C1)C(=NNC2=C(C(=O)NN=C2)Cl)C(=O)C3=CC=CC=C3","QFAOICFSALFBQW-CJLVFECKSA-N","9561703",NA,"PDBC26403","69049","Present"
-"5-Chloro-4-[(4-chlorophenyl)carbamoyl]-2-[[(Z)-2-cyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxo-3-phenylprop-1-enyl]sulfamoyl]benzenethiolate","","","","","","","","","","","","","","","","","","","","2-benzoyl-3-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-sulf...","","CN(C)C1=CC=[N+](C=C1)C(=C(C#N)C(=O)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl)[S-]","UDUJJRLERYJYHZ-UHFFFAOYSA-N","135436422",NA,"PDBC26404","723143","Present"
-"5-Chloro-4-hydrazinoquinazoline","","","","","","","","","","","","","","","","","","","","5-Chloro-4-hydrazinoquinazoline","","C1=CC2=C(C(=C1)Cl)C(=NC=N2)NN","UIZDMFDDQVMVSH-UHFFFAOYSA-N","353384",NA,"PDBC26405","601363","Present"
-"5-Chloro-4-iodo-1H-indole-2,3-dione","","","","","","","","","","","","","","","","","","","","5-Chloro-4-iodo-1H-indole-2,3-dione","","C1=CC(=C(C2=C1NC(=O)C2=O)I)Cl","AQJBGXYZTOJOKK-UHFFFAOYSA-N","374000",NA,"PDBC26406","651040","Present"
-"5-Chloro-4-methyl-1,2,3-benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","NSC621194","","CC1=C(C=CC2=[S+]SN=C12)Cl.[Cl-]","FGDKHIXYHNWPED-UHFFFAOYSA-M","359748",NA,"PDBC26407","621194","Present"
-"5-Chloro-4-methyl-2-((2-oxo-3-(2-quinoxalinyl)propanoyl)amino)benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","5-Chloro-4-methyl-2-((2-oxo-3-(2-quinoxalinyl)propanoyl)amino)benzenesulfonic acid","","CC1=CC(=C(C=C1Cl)S(=O)(=O)O)NC(=O)C(=O)CC2=NC3=CC=CC=C3N=C2","JPKQGBJWBZFFKS-UHFFFAOYSA-N","373358",NA,"PDBC26408","649573","Present"
-"5-Chloro-5-methoxy-2-(4-methoxyphenyl)cyclohexanecarbaldehyde","","","","","","","","","","","","","","","","","","","","5-Chloro-5-methoxy-2-(4-methoxyphenyl)cyclohexanecarbaldehyde","","COC1=CC=C(C=C1)C2CCC(CC2C=O)(OC)Cl","KPMOARVPBQKECG-UHFFFAOYSA-N","372280",NA,"PDBC26409","647338","Present"
-"5-Chloro-6-(1-hydroxy-2-(4-(2-pyridinylmethyl)-1-piperazinyl)ethyl)-3-methyl-1,3-benzoxazol-2(3H)-one","","","","","","","","","","","","","","","","","","","","5-Chloro-6-[1-hydroxy-2-[4-(2-pyridylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one","","CN1C2=C(C=C(C(=C2)Cl)C(CN3CCN(CC3)CC4=CC=CC=N4)O)OC1=O","BINBQTINYCLDQA-UHFFFAOYSA-N","384072",NA,"PDBC26410","673294","Present"
-"5-Chloro-6-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylene]hydrazino]thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","5-Chloro-6-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one","","CN1C2=C(C=C(C(=C2)Cl)C3=CSC(=N3)NN=CC4=CC(=C(C=C4)OC)OC)OC1=O","NMZCVFJKRYFQSK-LSFURLLWSA-N","9570019",NA,"PDBC26411","632134","Present"
-"5-Chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","6-chloro-5-fluoro-2-(3-(4-methoxyphenyl)imidazo[1,5-a]py...","","COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=CC(=C(C=C5N4)F)Cl","FEASBOFHLWVMFR-UHFFFAOYSA-N","155808283",NA,"PDBC26412","766333","Present"
-"5-Chloro-6-nitroquinoline","","","","","","","","","","","","","","","","","","","","5-Chloro-6-nitroquinoline","","C1=CC2=C(C=CC(=C2Cl)[N+](=O)[O-])N=C1","UEYYCZFZTFTKAY-UHFFFAOYSA-N","236923",NA,"PDBC26413","39969","Present"
-"5-Chloro-7-[(3-pyrrolidin-1-ylpropylamino)methyl]quinolin-8-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 5-chloro-7-[[[3-(1-pyrrolidinyl)propyl]ami...","","C1CCN(C1)CCCNCC2=CC(=C3C=CC=NC3=C2O)Cl.Cl","GXMMLAHUEYYJBJ-UHFFFAOYSA-N","54607044",NA,"PDBC26414","178123","Present"
-"5-Chloro-7-methyl-1H-indole-2,3-dione;2,2,2-trifluoro-1-phenylethanone","","","","","","","","","","","","","","","","","","","","5-Chloro-7-methyl-1H-indole-2,3-dione;2,2,2-trifluoro-1-phenylethanone","","CC1=CC(=CC2=C1NC(=O)C2=O)Cl.C1=CC=C(C=C1)C(=O)C(F)(F)F","UTCUSBQSTTUKNL-UHFFFAOYSA-N","366709",NA,"PDBC26415","635426","Present"
-"5-Chloro-7-methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one","","","","","","","","","","","","","","","","","","","","5-Chloro-7-methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one","","CC1=CC(=CC2=C1NC(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O)Cl","AZWZFLLQVWHCAJ-UHFFFAOYSA-N","3708090",NA,"PDBC26416","118730","Present"
-"5-Chloro-7H-naphtho[3,1-ij][2,7]naphthyridin-7-one","","","","","","","","","","","","","","","","","","","","5-chloro-7H-naphtho[3,2,1-ij][2,7]naphthyridin-7-one","","C1=CC=C2C(=C1)C3=NC=CC4=CC(=NC(=C43)C2=O)Cl","QXMLVWOWWYNRSW-UHFFFAOYSA-N","54613527",NA,"PDBC26417","750107","Present"
-"5-Chloro-8-hydroxynaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","NAPHTHALENEDIONE, 5-CHLORO-8-HYDROXY-","","C1=CC(=C2C(=O)C=CC(=O)C2=C1O)Cl","GJLFRAOUTIXEIN-UHFFFAOYSA-N","301371",NA,"PDBC26418","178010","Present"
-"5-Chloro-8-methyl-2-phenylquinolin-4-ol","","","","","","","","","","","","","","","","","","","","5-Chloro-8-methyl-2-phenylquinolin-4-ol","","CC1=C2C(=C(C=C1)Cl)C(=O)C=C(N2)C3=CC=CC=C3","WQTDDEJDGYOWAZ-UHFFFAOYSA-N","375911",NA,"PDBC26419","656248","Present"
-"5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate","","","","","","","","","","","","","","","","","","","","5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate","","C1=CC(=CC(=C1)NC(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C(F)(F)F","AJQUXBOOWNSFII-UHFFFAOYSA-N","342201",NA,"PDBC26420","377852","Present"
-"5-Chloro-9-methyl-N,N-dipropylimidazo[1,2-a][1,8]naphthyridine-6-carboxamide","","","","","","","","","","","","","","","","","","","","5-Chloro-9-methyl-N,N-dipropylimidazo[1,2-a][1,8]naphthyridine-6-carboxamide","","CCCN(CCC)C(=O)C1=C(C2=C(N=CC=C2)N3C1=NC=C3C)Cl","OLGADBZYLNDLNO-UHFFFAOYSA-N","383769",NA,"PDBC26421","672213","Present"
-"5-Chloro-N-(3-((5-chloro-2-pyridinyl)imino)-1-propenyl)-2-pyridinamine","","","","","","","","","","","","","","","","","","","","5-Chloro-N-(3-((5-chloro-2-pyridinyl)imino)-1-propenyl)-2-pyridinamine","","C1=CC(=NC=C1Cl)NC=CC=NC2=NC=C(C=C2)Cl","QQOYEDBNQKVVDM-QEGNHXSSSA-N","9556220",NA,"PDBC26422","676473","Present"
-"5-Chloro-N-(4-methylphenyl)-2,4-dinitroaniline","","","","","","","","","","","","","","","","","","","","NIOSH/XU5145000","","CC1=CC=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl","DLFBAMLAMJKMDK-UHFFFAOYSA-N","245680",NA,"PDBC26423","57864","Present"
-"5-Chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide","","C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NN=CC4=CC=C(C=C4)Cl","SDQLINILQOCWLX-DHRITJCHSA-N","54613553",NA,"PDBC26424","747379","Present"
-"5-Chloro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-Chloro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","CC(=NNC1=NC2=C(S1)C=CC(=C2)Cl)C3=CC=CC=N3","KFQBMSAOITVDSR-GIJQJNRQSA-N","9572096",NA,"PDBC26425","703111","Present"
-"5-Chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-3-(trifluoromethyl)pyridin-2-amine","","","","","","","","","","","","","","","","","","","","5-Chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-3-(trifluoromethyl)pyridin-2-amine","","C1=CC=C(C=C1)C(=NNC2=C(C=C(C=N2)Cl)C(F)(F)F)C3=CC=CC=N3","CTJPCKPVHCXBCQ-XYGWBWBKSA-N","6067084",NA,"PDBC26426","693629","Present"
-"5-Chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=C(C=C1)Cl)C=CC(=N2)C3=CC=CC=C3.Cl","IJJWSWNLRCXVGJ-UHFFFAOYSA-N","358084",NA,"PDBC26427","617935","Present"
-"5-Chloro-N-cyclohexyl-1H-1,2,3-triazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-Chloro-N-cyclohexyl-1H-1,2,3-triazole-4-carboxamide","","C1CCC(CC1)NC(=O)C2=NNN=C2Cl","FRYUOWZQLUXSDK-UHFFFAOYSA-N","389969",NA,"PDBC26428","686671","Present"
-"5-Chloro-n-(7-chloroquinolin-4-yl)-n,n-diethyl-pentane-1,4-diamine","","","","","","","","","","","","","","","","","","","","NSC295633///NSC295635","","CCN(CC)CCCC(CCl)NC1=C2C=CC(=CC2=NC=C1)Cl.Cl","CZYWINOOXCGQKY-UHFFFAOYSA-N","54601573",NA,"PDBC26429","295633///295635","Present"
-"5-Chloro-pyrazine-2-carboxylic acid hexylamide","","","","","","","","","","","","","","","","","","","","5-Chloro-pyrazine-2-carboxylic acid hexylamide","","CCCCCCNC(=O)C1=CN=C(C=N1)Cl","NLMDXWYTMRLMOX-UHFFFAOYSA-N","406084",NA,"PDBC26430","724002","Present"
-"5-Chlorobenzimidazole-1,2-diamine","","","","","","","","","","","","","","","","","","","","5-Chlorobenzimidazole-1,2-diamine","","C1=CC2=C(C=C1Cl)N=C(N2N)N","BWPDDCOWXFNALZ-UHFFFAOYSA-N","356349",NA,"PDBC26431","611783","Present"
-"5-Chlorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","Benzimidazo[1,2-a][1,8]naphthyridine-6-carbonitrile, 5-c...","","C1=CC=C2C(=C1)N=C3N2C4=C(C=CC=N4)C(=C3C#N)Cl","QJDWMTFGWKXMHT-UHFFFAOYSA-N","391679",NA,"PDBC26432","691221","Present"
-"5-Chlorobenzimidazolo[1,2-a]quinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Chlorobenzimidazolo[1,2-a]quinoline-6-carbonitrile","","C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)Cl","DGLPNHDYUHQAND-UHFFFAOYSA-N","391676",NA,"PDBC26433","691218","Present"
-"5-Chlorobenzo-[f]quinoxalin-6-ol","","","","","","","","","","","","","","","","","","","","5-Chlorobenzo[f]quinoxalin-6(4H)-one","","C1=CC=C2C(=C1)C(=C(C3=NC=CN=C23)Cl)O","UZIIBWHVCILJDK-UHFFFAOYSA-N","135409049",NA,"PDBC26434","656782","Present"
-"5-Chlorosalicylaldehyde (5-nitro-2-pyridyl)hydrazone","","","","","","","","","","","","","","","","","","","","LS-144126","","C1=CC(=C(C=C1Cl)C=NNC2=NC=C(C=C2)[N+](=O)[O-])O","CDWXJSZGBVSYHO-UUASQNMZSA-N","135538372",NA,"PDBC26435","42369","Present"
-"5-Chlorosalicylaldehyde isonicotinoylhydrazone","","","","","","","","","","","","","","","","","","","","5-Chlorosalicylaldehyde isonicotinoylhydrazone","","C1=CC(=C(C=C1Cl)C=NNC(=O)C2=CC=NC=C2)O","XBMCOYHOYXSRDF-PXNMLYILSA-N","135431337",NA,"PDBC26436","27607","Present"
-"5-Chlorospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-thione","","","","","","","","","","","","","","","","","","","","5-chlorospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-thione","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=NC(=S)NN4)Cl","QRYIMJSMYCTEGP-UHFFFAOYSA-N","3001580",NA,"PDBC26437","658718","Present"
-"5-Chlorouracil","","","","","","","","","","","","","","","","","","","","5-Chlorouracil","","C1=C(C(=O)NC(=O)N1)Cl","ZFTBZKVVGZNMJR-UHFFFAOYSA-N","15758",NA,"PDBC26438","28172","Present"
-"5-Chroman-6-yl-2-(4-pyridyl)oxazole","","","","","","","","","","","","","","","","","","","","5-chroman-6-yl-2-(4-pyridyl)oxazole","","C1CC2=C(C=CC(=C2)C3=CN=C(O3)C4=CC=NC=C4)OC1","SMLFTTRGZDHBIC-UHFFFAOYSA-N","380226",NA,"PDBC26439","665702","Present"
-"5-Cinnamoyl-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","5-Cinnamoyl-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3)N4CCCC4","OQUPRCDCDJVFDC-CCEZHUSRSA-N","6380583",NA,"PDBC26440","633102","Present"
-"5-Cinnamylidenebarbituric acid","","","","","","","","","","","","","","","","","","","","meterocycle","","C1=CC=C(C=C1)C=CC=C2C(=O)NC(=O)NC2=O","CRQHPZFBGAKYRX-QPJJXVBHSA-N","727420",NA,"PDBC26441","93958","Present"
-"5-Cuban-1-yl-1H-imidazole","","","","","","","","","","","","","","","","","","","","5-Cuban-1-yl-1H-imidazole","","C1=C(NC=N1)C23C4C5C2C6C5C4C36","LVQAPMHWBQPQSE-UHFFFAOYSA-N","383855",NA,"PDBC26442","672597","Present"
-"5-Cyano-2-imino-N-(4-methoxyphenyl)-4-(methylthio)-6-oxo-1,2,5,6-tetrahydro-3-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","5-Cyano-2-imino-N-(4-methoxyphenyl)-4-(methylthio)-6-oxo-1,2,5,6-tetrahydro-3-pyridinecarboxamide","","COC1=CC=C(C=C1)NC(=O)C2=C(C(C(=O)N=C2N)C#N)SC","XQGUKKLAINSSOW-UHFFFAOYSA-N","390316",NA,"PDBC26443","687608","Present"
-"5-Cyano-2-imino-N-(4-methylphenyl)-4-(methylthio)-6-thioxo-1,2,3,6-tetrahydro-3-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","5-Cyano-2-imino-N-(4-methylphenyl)-4-(methylthio)-6-thioxo-1,2,3,6-tetrahydro-3-pyridinecarboxamide","","CC1=CC=C(C=C1)NC(=O)C2C(=C(C(=S)N=C2N)C#N)SC","SEHNHLRJEZEOPM-UHFFFAOYSA-N","3005338",NA,"PDBC26444","692041","Present"
-"5-Cyano-4-(4-methoxyphenyl)-N,2-diphenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","5-Cyano-4-(4-methoxyphenyl)-N,2-diphenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxamide","","COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C5C(C(C(C(O5)CO)O)O)O)C#N","REDRMMISQRFKBZ-UHFFFAOYSA-N","395026",NA,"PDBC26445","699188","Present"
-"5-Cyano-4-oxo-5-phenyl-N-(3-(trifluoromethyl)phenyl)pentanamide","","","","","","","","","","","","","","","","","","","","5-Cyano-4-oxo-5-phenyl-N-(3-(trifluoromethyl)phenyl)pentanamide","","C1=CC=C(C=C1)C(C#N)C(=O)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F","OAMVGGBWDYDFAD-UHFFFAOYSA-N","364939",NA,"PDBC26446","631825","Present"
-"5-Cyano-8-oxobicyclo[3.2.1]oct-2-yl methanesulfonate","","","","","","","","","","","","","","","","","","","","5-Cyano-8-oxobicyclo[3.2.1]oct-2-yl methanesulfonate","","CS(=O)(=O)OC1CCC2(CCC1C2=O)C#N","XFNXLUAEHUBAGI-UHFFFAOYSA-N","371766",NA,"PDBC26447","646209","Present"
-"5-Cyano-N-(3,4-dichlorophenyl)-4-oxo-5-phenylpentanamide","","","","","","","","","","","","","","","","","","","","5-Cyano-N-(3,4-dichlorophenyl)-4-oxo-5-phenylpentanamide","","C1=CC=C(C=C1)C(C#N)C(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl","WMJSDAVWOALZSL-UHFFFAOYSA-N","364957",NA,"PDBC26448","631843","Present"
-"5-Cyano-N-(3,4-dimethylphenyl)-4-oxo-5-phenylpentanamide","","","","","","","","","","","","","","","","","","","","5-Cyano-N-(3,4-dimethylphenyl)-4-oxo-5-phenylpentanamide","","CC1=C(C=C(C=C1)NC(=O)CCC(=O)C(C#N)C2=CC=CC=C2)C","RBHHELFEUPTWBN-UHFFFAOYSA-N","360428",NA,"PDBC26449","622564","Present"
-"5-Cyclohexyl-3-(3-nitrophenyl)-4,5-dihydroisoxazole","","","","","","","","","","","","","","","","","","","","5-Cyclohexyl-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole","","C1CCC(CC1)C2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]","LIDYDCSVBDFIMT-UHFFFAOYSA-N","368751",NA,"PDBC26450","639905","Present"
-"5-Cyclopentyloxy-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole","","","","","","","","","","","","","","","","","","","","5-Cyclopentyloxy-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole","","CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)OC3CCCC3","FHIGIXCAQVCJHZ-UHFFFAOYSA-N","24205506",NA,"PDBC26451","736061","Present"
-"5-Decynedioic acid","","","","","","","","","","","","","","","","","","","","5-Decynedioic acid","","C(CC#CCCCC(=O)O)CC(=O)O","MYYSSKJPRXUJHE-UHFFFAOYSA-N","151135",NA,"PDBC26452","666699","Present"
-"5-Diacetylamino-6-acetylaminopyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","5-Diacetylamino-6-acetylaminopyrimidine-2,4(1H,3H)-dione","","CC(=O)NC1=C(C(=O)NC(=O)N1)N(C(=O)C)C(=O)C","AJMQCASXYFTULT-UHFFFAOYSA-N","371477",NA,"PDBC26453","645751","Present"
-"5-Diazo-1-phenyl-9-decene-1,4,6-trione","","","","","","","","","","","","","","","","","","","","5-Diazonio-1,6-dioxo-1-phenyldeca-4,9-dien-4-olate","","C=CCCC(=O)C(=[N+]=[N-])C(=O)CCC(=O)C1=CC=CC=C1","CXZMPLLVNLLUQT-UHFFFAOYSA-N","379017",NA,"PDBC26454","662780","Present"
-"5-Diazo-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopentanone","","","","","","","","","","","","","","","","","","","","2-Diazonio-5,5-dimethyl-4-(2-methylprop-1-en-1-yl)cyclopent-1-en-1-olate","","CC(=CC1CC(=[N+]=[N-])C(=O)C1(C)C)C","PRKDHVPTFCQLAG-UHFFFAOYSA-N","371738",NA,"PDBC26455","646182","Present"
-"5-Diazo-4-oxo-pentanoic acid diphenylamide","","","","","","","","","","","","","","","","","","","","5-Diazo-4-oxo-pentanoic acid diphenylamide","","C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CCC(=O)C=[N+]=[N-]","LAYBFXZXWBFUQG-UHFFFAOYSA-N","379002",NA,"PDBC26456","662772","Present"
-"5-Diazotricyclo[4.3.1.13,8]undecan-4-one","","","","","","","","","","","","","","","","","","","","5-Diazotricyclo[4.3.1.13,8]undecan-4-one","","C1C2CC3CC1CC(C2)C(=O)C3=[N+]=[N-]","AELLTOPYBRVUAP-UHFFFAOYSA-N","372957",NA,"PDBC26457","648745","Present"
-"5-Dichloro-5,5-tetrafluoro-4-hydroxy-2-methylleucine","","","","","","","","","","","","","","","","","","","","2-Amino-5-chloro-4-[chloro(difluoro)methyl]-5,5-difluoro-4-hydroxy-2-methyl-pentanoic acid","","CC(CC(C(F)(F)Cl)(C(F)(F)Cl)O)(C(=O)O)N","OMRIVBPYBDNNKV-UHFFFAOYSA-N","377652",NA,"PDBC26458","659232","Present"
-"5-Dichloroacetamidouracil","","","","","","","","","","","","","","","","","","","","5-Dichloroacetamidouracil","","C1=C(C(=O)NC(=O)N1)NC(=O)C(Cl)Cl","MQLBSYBWVCZQDB-UHFFFAOYSA-N","95974",NA,"PDBC26459","45767","Present"
-"5-Diethoxyphosphoryl-3-hydroxy-pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","5-Diethoxyphosphoryl-3-hydroxy-pyrrolidin-2-one","","CCOP(=O)(C1CC(C(=O)N1)O)OCC","CQOYTNXTYHLLHW-UHFFFAOYSA-N","390827",NA,"PDBC26460","688885","Present"
-"5-Diethoxyphosphoryl-6-(2-thienyl)pyridin-2-ol","","","","","","","","","","","","","","","","","","","","5-Diethoxyphosphoryl-6-(2-thienyl)pyridin-2-ol","","CCOP(=O)(C1=C(NC(=O)C=C1)C2=CC=CS2)OCC","VGINJBONHKDFQM-UHFFFAOYSA-N","391116",NA,"PDBC26461","689734","Present"
-"5-Diethoxyphosphoryloxy-4-methoxy-2-methoxycarbonyl-3,6-dihydropyrrolo[3,2-e]indole-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","4-((Diethoxyphosphoryl)oxy)-5-methoxy-7-(methoxycarbonyl)-3,6-dihydropyrrolo[3,2-e]indole-1-carboxylic acid","","CCOP(=O)(OCC)OC1=C2C(=C3C=C(NC3=C1OC)C(=O)OC)C(=CN2)C(=O)O","JTRYRIJOIVZDAQ-UHFFFAOYSA-N","386821",NA,"PDBC26462","679529","Present"
-"5-Dimethylaminomethyleneaminoisoquinoline","","","","","","","","","","","","","","","","","","","","LS-69600","","CN(C)C=NC1=CC=CC2=C1C=CN=C2","YPZWGHLZEZRUQC-UHFFFAOYSA-N","58289",NA,"PDBC26463","665678","Present"
-"5-Epi-phomopsolide D","","","","","","","","","","","","","","","","","","","","5-epi-phomopsolide D","","CC=C(C)C(=O)OC1C=CC(=O)OC1CCC(C(C)O)O","ZFVYHTGRRBKBJE-CAWAPSHXSA-N","45028011",NA,"PDBC26464","740606","Present"
-"5-Ethenyl-2-methyl-1-[(pentamethyldisiloxanyl)methyl]pyridinium iodide","","","","","","","","","","","","","","","","","","","","5-Ethenyl-2-methyl-1-[(pentamethyldisiloxanyl)methyl]pyridinium iodide","","CC1=[N+](C=C(C=C1)C=C)C[Si](C)(C)O[Si](C)(C)C.[I-]","AKLKMMXSGHGCAI-UHFFFAOYSA-M","372819",NA,"PDBC26465","648483","Present"
-"5-Ethoxy-2'-deoxyuridine","","","","","","","","","","","","","","","","","","","","5-Ethoxy-2'-deoxyuridine","","CCOC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O","RWJGXFUGIXPYLD-UHFFFAOYSA-N","388691",NA,"PDBC26466","683727","Present"
-"5-Ethoxy-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidine;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Ethoxy-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidine hydrochloride","","CCOC1C2=CN=C(N=C2C3=CC=CC=C3O1)SC.Cl","SQHPQSWHKMKUIO-UHFFFAOYSA-N","390596",NA,"PDBC26467","688118","Present"
-"5-Ethoxy-5H-chromeno[4,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","5-Ethoxy-5H-chromeno[4,3-d]pyrimidin-2-amine","","CCOC1C2=CN=C(N=C2C3=CC=CC=C3O1)N","VNIMMGBMKWRUEV-UHFFFAOYSA-N","390591",NA,"PDBC26468","688114","Present"
-"5-Ethoxy-N-(1-naphthyl)-4,5-dihydro-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-Ethoxy-N-(1-naphthyl)-4,5-dihydro-1,3-thiazol-2-amine","","CCOC1CN=C(S1)NC2=CC=CC3=CC=CC=C32","WYFBKFOXIUUMFQ-UHFFFAOYSA-N","377643",NA,"PDBC26469","659222","Present"
-"5-Ethoxycarbonyloxy-3-methyl-3H-pyrrolo[3,2-a]carbazole-10-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","5-Ethoxycarbonyloxy-3-methyl-3H-pyrrolo[3,2-a]carbazole-10-carboxylic acid ethyl ester","","CCOC(=O)N1C2=CC=CC=C2C3=C(C=C4C(=C31)C=CN4C)OC(=O)OCC","PNLRZSWKKFGKAV-UHFFFAOYSA-N","380503",NA,"PDBC26470","666118","Present"
-"5-Ethyl-1,2-dihydro-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","5-Ethyl-2,4-dihydro-[1,2,4]triazol-3-one","","CCC1=NNC(=O)N1","NSYKPXCGPMWPGL-UHFFFAOYSA-N","135489810",NA,"PDBC26471","679482","Present"
-"5-Ethyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione","","","","","","","","","","","","","","","","","","","","5-Ethyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione","","CCN1C2=CC=CC=C2C3=C(C1=O)C(=O)NN3","VWCPQHLSFLCVJG-UHFFFAOYSA-N","384973",NA,"PDBC26472","675803","Present"
-"5-Ethyl-1,7-dimethyl-3H-indolizin-4-ium;perchlorate","","","","","","","","","","","","","","","","","","","","5-Ethyl-1,7-dimethyl-3H-indolizin-4-ium;perchlorate","","CCC1=[N+]2CC=C(C2=CC(=C1)C)C.[O-]Cl(=O)(=O)=O","JYKYNORRQRMFDZ-UHFFFAOYSA-M","13860659",NA,"PDBC26473","622504","Present"
-"5-Ethyl-1-methyl-2-[(E)-1-methyl-2-phenyl-vinyl]pyrazol-3-one","","","","","","","","","","","","","","","","","","","","5-Ethyl-1-methyl-2-[(E)-1-methyl-2-phenyl-vinyl]pyrazol-3-one","","CCC1=CC(=O)N(N1C)C(=CC2=CC=CC=C2)C","LTBMNAAVSZOFEK-ZRDIBKRKSA-N","5469830",NA,"PDBC26474","693125","Present"
-"5-Ethyl-1-phenyl-5-(tetrafluorophthalimido)barbituric acid","","","","","","","","","","","","","","","","","","","","cps45","","CCC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=C(C(=C4F)F)F)F","VEOGKKIBNYROKA-UHFFFAOYSA-N","9933393",NA,"PDBC26475","726795","Present"
-"5-Ethyl-11-oxo-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Ethyl-11-oxo-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile","","CCN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)CCCC4)C#N","PYMINZCEDGXSDR-UHFFFAOYSA-N","387846",NA,"PDBC26476","682006","Present"
-"5-Ethyl-2,2-dimethyl-3,10-dihydro-1H-phenothiazin-5-ium-4-one","","","","","","","","","","","","","","","","","","","","5-Ethyl-2,2-dimethyl-1,3-dihydrophenothiazin-5-ium-4-olate","","CCS1=C2C(=NC3=CC=CC=C31)CC(CC2=O)(C)C","WDWTYZXDZOTJJA-UHFFFAOYSA-N","390748",NA,"PDBC26477","688507","Present"
-"5-Ethyl-2,5-diphenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one","","","","","","","","","","","","","","","","","","","","5-Ethyl-2,5-diphenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one","","CCC1(C(=O)N=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","WFROSGCKIVNHOI-UHFFFAOYSA-N","387713",NA,"PDBC26478","681742","Present"
-"5-Ethyl-2-(2-(1-piperidinyl)ethyl)pyridine","","","","","","","","","","","","","","","","","","","","5-Ethyl-2-(2-(1-piperidinyl)ethyl)pyridine","","CCC1=CN=C(C=C1)CCN2CCCCC2","RUGIKZBYEUXNID-UHFFFAOYSA-N","229287",NA,"PDBC26479","22819","Present"
-"5-Ethyl-2-(2-thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine","","","","","","","","","","","","","","","","","","","","5-Ethyl-2-(2-thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine","","CCC1=NC(=C2C(=N1)OC(=N2)C3=CC=CS3)N","NZWVQCYIHRAPOV-UHFFFAOYSA-N","387391",NA,"PDBC26480","681139","Present"
-"5-Ethyl-2-(4-methyl-2-pyridinyl)-6-phenyl-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","5-Ethyl-2-(4-methyl-2-pyridinyl)-6-phenyl-3,6-dihydro-2H-1,2-oxazine","","CCC1=CCN(OC1C2=CC=CC=C2)C3=NC=CC(=C3)C","VQKRIAORKSDPAJ-UHFFFAOYSA-N","370842",NA,"PDBC26481","644548","Present"
-"5-Ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","5-Ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione","","CCC1=NN(C(=S)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C","VQAKLAVHRZGIHZ-HMAPJEAMSA-N","54611535",NA,"PDBC26482","710776","Present"
-"5-Ethyl-2-methyl-4-nitropyridine 1-oxide","","","","","","","","","","","","","","","","","","","","NSC527353","","CCC1=C(C=C([N+](=C1)[O-])C)[N+](=O)[O-]","DANDYWNNFZVYIE-UHFFFAOYSA-N","602706",NA,"PDBC26483","527353","Present"
-"5-Ethyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-Ethyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CCC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5","GTQKXNGZWXCFBI-UHFFFAOYSA-N","362431",NA,"PDBC26484","626380","Present"
-"5-Ethyl-3,9-dihydroxy-11H-indolo[3,2-c]quinolin-6-one","","","","","","","","","","","","","","","","","","","","5-Ethyl-3,9-dihydroxy-11H-indolo[3,2-c]quinolin-6-one","","CCN1C2=C(C=CC(=C2)O)C3=C(C1=O)C4=C(N3)C=C(C=C4)O","DGWKVCKSOBTIFW-UHFFFAOYSA-N","5465649",NA,"PDBC26485","658203","Present"
-"5-Ethyl-3,9-dimethoxy-5,11-dihydro-6H-indolo[3,2-c]quinolin-6-one","","","","","","","","","","","","","","","","","","","","5-Ethyl-3,9-dimethoxy-5,11-dihydro-6H-indolo[3,2-c]quinolin-6-one","","CCN1C2=C(C=CC(=C2)OC)C3=C(C1=O)C4=C(N3)C=C(C=C4)OC","RAABQANJLMSOKK-UHFFFAOYSA-N","376983",NA,"PDBC26486","658204","Present"
-"5-Ethyl-4-(2-naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","5-Ethyl-4-(2-naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one","","CCC1=NNC(=O)N1C2=CC3=CC=CC=C3C=C2","LXESHGPHBZUTJS-UHFFFAOYSA-N","385481",NA,"PDBC26487","676717","Present"
-"5-Ethyl-4-[[[5-(2-chlorophenyl)furan-2-yl]methylene]amino]-4H-1,2,4-triazole-3-thiol","","","","","","","","","","","","","","","","","","","","5-Ethyl-4-[[[5-(2-chlorophenyl)furan-2-yl]methylene]amino]-4H-1,2,4-triazole-3-thiol","","CCC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=CC=C3Cl","LCZLHXVKJUGTLY-MFOYZWKCSA-N","6520413",NA,"PDBC26488","710763","Present"
-"5-Ethyl-4-[[[5-(2-nitrophenyl)furan-2-yl]methylene]amino]-4H-1,2,4-triazole-3-thiol","","","","","","","","","","","","","","","","","","","","5-Ethyl-4-[[[5-(2-nitrophenyl)furan-2-yl]methylene]amino]-4H-1,2,4-triazole-3-thiol","","CCC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]","DUHDDLMPVCAGBA-SXGWCWSVSA-N","6520412",NA,"PDBC26489","710762","Present"
-"5-Ethyl-4-pyridin-4-yl-2,4-dihydro-3H-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","3-ethyl-4-(4-pyridyl)-1H-1,2,4-triazol-5-one","","CCC1=NNC(=O)N1C2=CC=NC=C2","OSZLIPPSZHTEIX-UHFFFAOYSA-N","386149",NA,"PDBC26490","677781","Present"
-"5-Ethyl-5,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-one","","","","","","","","","","","","","","","","","","","","5-Ethyl-5,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-one","","CCC1(CC2CC(=O)OC2C1O)O","OGRVWFVCTSPZKH-UHFFFAOYSA-N","395127",NA,"PDBC26491","699418","Present"
-"5-Ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","","","","","","","","","","","","","","","","","","","","5-Ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","","CCC1(C(=O)NC(=O)NC1=O)CCNCC","HSZVKXDGGILCNR-UHFFFAOYSA-N","257295",NA,"PDBC26492","85262","Present"
-"5-Ethyl-6-(4-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","5-Ethyl-6-(4-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine","","CCC1=CCN(OC1C2=CC=C(C=C2)OC)C3=NC=CC(=C3)C","FKGIPVYPZQTBSD-UHFFFAOYSA-N","370845",NA,"PDBC26493","644551","Present"
-"5-Ethyl-6-(4-methoxyphenyl)-2-(4-methylphenyl)-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","5-Ethyl-6-(4-methoxyphenyl)-2-(4-methylphenyl)-3,6-dihydro-2H-1,2-oxazine","","CCC1=CCN(OC1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C","GOTHRAXFJXUFGG-UHFFFAOYSA-N","370848",NA,"PDBC26494","644554","Present"
-"5-Ethyl-7-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione","","","","","","","","","","","","","","","","","","","","5-Ethyl-7-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione","","CCN1C(=O)C2=C(NN=C2)N(C1=O)C","GQVSQPSKWOVVCQ-UHFFFAOYSA-N","396525",NA,"PDBC26495","702928","Present"
-"5-Ethyl-7-methyl-3H-indolizin-4-ium;perchlorate","","","","","","","","","","","","","","","","","","","","5-Ethyl-7-methyl-3H-indolizin-4-ium;perchlorate","","CCC1=CC(=CC2=[N+]1CC=C2)C.[O-]Cl(=O)(=O)=O","NPJUHTWTKICRPS-UHFFFAOYSA-M","14114373",NA,"PDBC26496","622505","Present"
-"5-F-Anhydro-ara-C hydrochloride","","","","","","","","","","","","","","","","","","","","aafc","","C1=C(C(=N)N=C2N1C3C(O2)C(C(O3)CO)O)F.Cl","RMCFDHVUFKPQRX-UHFFFAOYSA-N","22762144",NA,"PDBC26497","166641","Present"
-"5-Fluoro deoxy uridine 10mer","","","","","","","","","","","","","","","","","","","","5-Fluoro deoxy uridine 10mer","","C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)O","IACIPRCBXFNRDY-UHFFFAOYSA-N","16130072",NA,"PDBC26498","697912","Present"
-"5-Fluoro-1-((2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)methyl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-((2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)methyl)-2,4(1H,3H)-pyrimidinedione","","CC1=CC=C(C=C1)SCC(CF)OCN2C=C(C(=O)NC2=O)F","GHBLJSWVIPTCLR-UHFFFAOYSA-N","382806",NA,"PDBC26499","670534","Present"
-"5-Fluoro-1-(2,6-trideoxy-alpha-L-glycero-hexopyran-4-ulosyl) uracil","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-(2,3,6-trideoxy-.alpha.-L-glycero-hexopyran-4...","","CC1C(=O)CCC(O1)N2C=C(C(=O)NC2=O)F","KRPHWGDCZWDBNJ-UHFFFAOYSA-N","367305",NA,"PDBC26500","636869","Present"
-"5-Fluoro-1-(2-methyl-5-oxo-2H-pyran-6-yl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-(3,4,6-trideoxy-.beta.-L-glycero-hex-3-enopyr...","","CC1C=CC(=O)C(O1)N2C=C(C(=O)NC2=O)F","ZTKCWNINVBIRHH-UHFFFAOYSA-N","365890",NA,"PDBC26501","633971","Present"
-"5-Fluoro-1-(3-hydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-(2,3,6-trideoxy-.alpha.-L-erythro-hex- 2-enop...","","CC1C(C=CC(O1)N2C=C(C(=O)NC2=O)F)O","NWZIPIYYQCCAGD-UHFFFAOYSA-N","365307",NA,"PDBC26502","632858","Present"
-"5-Fluoro-1-(5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-(2,3,6-trideoxy-.alpha.-L-erythro-hexopyranos...","","CC1C(CCC(O1)N2C=C(C(=O)NC2=O)F)O","YSWYQPMQIDTWJM-UHFFFAOYSA-N","366333",NA,"PDBC26503","634681","Present"
-"5-Fluoro-1-(6-methyl-5-oxo-2H-pyran-2-yl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-(2,3,6-trideoxy-.alpha.-L-glycero-hex-2- enop...","","CC1C(=O)C=CC(O1)N2C=C(C(=O)NC2=O)F","KNSHTVZIKOKLBG-UHFFFAOYSA-N","367306",NA,"PDBC26504","636870","Present"
-"5-Fluoro-1-(7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-(7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione","","C1C2C(C(O1)C(O2)N3C=C(C(=O)NC3=O)F)O","HDJXIAVWVQQMLN-UHFFFAOYSA-N","353484",NA,"PDBC26505","601911","Present"
-"5-Fluoro-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione","","C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)F","YHWGRVDTEORPPJ-UHFFFAOYSA-N","324452",NA,"PDBC26506","289901","Present"
-"5-Fluoro-1-[4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-[4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione","","C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)F)O)F","BXHWKGLMPCAUQA-UHFFFAOYSA-N","389397",NA,"PDBC26507","685465","Present"
-"5-Fluoro-1-[4-fluoro-5-oxo-2-(trityloxymethyl)-2H-pyran-6-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-(3,4-dideoxy-3-fluoro-6-O-trityl-.beta.-D-gly...","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C=C(C(=O)C(O4)N5C=C(C(=O)NC5=O)F)F","JHTZZJGCWZYBMV-UHFFFAOYSA-N","496641",NA,"PDBC26508","696250","Present"
-"5-Fluoro-1-[4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-[4-hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione","","C1=C(C(=O)NC(=O)N1C2C(OC(C2O)CO)CO)F","CJVOVFBFZHWDMB-UHFFFAOYSA-N","393727",NA,"PDBC26509","696245","Present"
-"5-Fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione","","C1C(C(C(O1)CO)O)N2C=C(C(=O)NC2=O)F","MXURFEAREZZFIY-UHFFFAOYSA-N","393730",NA,"PDBC26510","696248","Present"
-"5-Fluoro-1-[5-hydroxy-6-(hydroxymethyl)-2-isopropoxy-tetrahydropyran-3-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Fluoro-1-[5-hydroxy-6-(hydroxymethyl)-2-isopropoxy-tetrahydropyran-3-yl]pyrimidine-2,4-dione","","CC(C)OC1C(CC(C(O1)CO)O)N2C=C(C(=O)NC2=O)F","IZNQGBYRARYNJL-UHFFFAOYSA-N","395157",NA,"PDBC26511","699457","Present"
-"5-Fluoro-14-methoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione","","","","","","","","","","","","","","","","","","","","3-fluoro-9-methoxy-6-(3-morpholinopropyl)-5H-pyrido[3',2...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCOCC5)N=C1","PAEFTRUWDBYVEW-UHFFFAOYSA-N","137638718",NA,"PDBC26512","790509","Present"
-"5-Fluoro-2'-deoxyuridine","","","","","","","","","","","","","","","","","","","","NSC66259","","C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O","ODKNJVUHOIMIIZ-UHFFFAOYSA-N","3363",NA,"PDBC26513","66259","Present"
-"5-Fluoro-2'-deoxyuridyl 2-(5-methoxy-N-methylindoloquinonyl)methyl N-methyl-N-(4-chlorobutyl) phosphoramidate","","","","","","","","","","","","","","","","","","","","5-Fluoro-2'-deoxyuridyl 2-(5-methoxy-N-methylindoloquino...","","CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N(C)CCCCCl)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O","UDYFPQNFRMQCJA-UHFFFAOYSA-N","404843",NA,"PDBC26514","721387","Present"
-"5-Fluoro-2'-deoxyuridyl 5-nitrofurfuryl N-(2,3-dihydroxypropyl)-N-(4-chlorobutyl) phosphoramidate","","","","","","","","","","","","","","","","","","","","5-Fluoro-2'-deoxyuridyl 5-nitrofurfuryl N-(2,3-dihydroxy...","","C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(N(CCCCCl)CC(CO)O)OCC3=CC=C(O3)[N+](=O)[O-])O","FWMIRWKCPBNBDD-UHFFFAOYSA-N","24205136",NA,"PDBC26515","734430","Present"
-"5-Fluoro-2'-deoxyuridyly-(3'->5')-3'-C-ethynylcytosine","","","","","","","","","","","","","","","","","","","","5- fluoro-2'-deoxyuridyly-(3'->5')-3'-C-ethynylcytosine","","C#CC1(C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)F)O","LOKQZRKLMDNPBW-UHFFFAOYSA-N","45028394",NA,"PDBC26516","742410","Present"
-"5-Fluoro-2-(3,5-dihydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-(3,5-dihydroxyphenyl)benzothiazole","","C1=CC2=C(C=C1F)N=C(S2)C3=CC(=CC(=C3)O)O","MAJCBUVTEVVDIQ-UHFFFAOYSA-N","404995",NA,"PDBC26517","721649","Present"
-"5-Fluoro-2-(3-Ethoxy-4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-(3-Ethoxy-4-hydroxyphenyl)benzothiazole","","CCOC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)O","LUBNNWLAHPUPEU-UHFFFAOYSA-N","404994",NA,"PDBC26518","721647","Present"
-"5-Fluoro-2-(3-hydroxy-4-methoxy)benzothiazole","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-(3-hydroxy-4-methoxy)benzothiazole","","COC1=C(C=C(C=C1)C2=NC3=C(S2)C=CC(=C3)F)O","APSKCJVLOANIFO-UHFFFAOYSA-N","404992",NA,"PDBC26519","721645","Present"
-"5-Fluoro-2-(3-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-(3-hydroxyphenyl)benzothiazole","","C1=CC(=CC(=C1)O)C2=NC3=C(S2)C=CC(=C3)F","OOAGTBGPTTVHAA-UHFFFAOYSA-N","404991",NA,"PDBC26520","721644","Present"
-"5-Fluoro-2-(4-hydroxy-3-methoxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-(4-hydroxy-3-methoxyphenyl)benzothiazole","","COC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)O","DWQHMGWMXJKJSQ-UHFFFAOYSA-N","404993",NA,"PDBC26521","721646","Present"
-"5-Fluoro-2-(4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-(4-hydroxyphenyl)benzothiazole","","C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)F)O","FTDAZLXVIURESD-UHFFFAOYSA-N","405006",NA,"PDBC26522","721660","Present"
-"5-Fluoro-2-[4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole-3-yl]phenyl]-1H-benzoimidazole","","","","","","","","","","","","","","","","","","","","3-(4-(5-fluoro-1H-benzo[d]imidazol-2-yl)phenyl)-5-(3,4,5...","","COC1=CC(=CC(=C1OC)OC)C2=NC(=NO2)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)F","JEPVNURTANUAKZ-UHFFFAOYSA-N","118624632",NA,"PDBC26523","761109","Present"
-"5-Fluoro-2-methyl-3-(2-oxo-3-azepanyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-methyl-3-(2-oxo-3-azepanyl)-4(3H)-quinazolinone","","CC1=NC2=C(C(=CC=C2)F)C(=O)N1C3CCCCNC3=O","DTURRAGYOGBRAU-UHFFFAOYSA-N","379112",NA,"PDBC26524","663326","Present"
-"5-Fluoro-2-methyl-3-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-methyl-3-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-4(3H)-quinazolinone","","CC1=NC2=C(C(=CC=C2)F)C(=O)N1C3=NN=C(S3)C(F)(F)F","IGYXDFLMNJVMBD-UHFFFAOYSA-N","379110",NA,"PDBC26525","663324","Present"
-"5-Fluoro-2-methyl-N-(3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-fluoro-2-methyl-N-(3-oxo-1-thia-4-azaspiro[4.5]dec-4-y...","","CC1C(=O)N(C2(S1)CCCCC2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5","ZOKMAJPRLWEFGY-UHFFFAOYSA-N","24205444",NA,"PDBC26526","735538","Present"
-"5-Fluoro-2-phenyl-4-phenylmethoxyquinoline","","","","","","","","","","","","","","","","","","","","4-(Benzyloxy)-5-fluoro-2-phenylquinoline","","C1=CC=C(C=C1)COC2=CC(=NC3=C2C(=CC=C3)F)C4=CC=CC=C4","TXIFTEXTIQYHAS-UHFFFAOYSA-N","380404",NA,"PDBC26527","665926","Present"
-"5-Fluoro-2-phenylsulfonylnitrobenzene","","","","","","","","","","","","","","","","","","","","KXQYERJUTXJUBS-UHFFFAOYSA-N","","C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)F)[N+](=O)[O-]","KXQYERJUTXJUBS-UHFFFAOYSA-N","378892",NA,"PDBC26528","662300","Present"
-"5-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","5-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one","","C1=CC=NC(=C1)C2=CC(=O)C3=C(N2)C=CC=C3F","FKJLMNPHRRHQHI-UHFFFAOYSA-N","372260",NA,"PDBC26529","647316","Present"
-"5-Fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","5-fluoro-5'-methoxy-3-(5-methoxy-1-methyl-1H-indol-3-yl)-1'-methyl-3,3'-bi(1'H-indol)-2-one","","CN1C=C(C2=C1C=CC(=C2)OC)C3(C4=C(C=CC(=C4)F)NC3=O)C5=CN(C6=C5C=C(C=C6)OC)C","GKDBDLPGECMKCO-UHFFFAOYSA-N","155808302",NA,"PDBC26530","756894","Present"
-"5-Fluoro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","5-fluoro-5'-methoxy-3-(5-methoxy-1H-indol-3-yl)-3,3'-bi(1'H-indol)-2-one","","COC1=CC2=C(C=C1)NC=C2C3(C4=C(C=CC(=C4)F)NC3=O)C5=CNC6=C5C=C(C=C6)OC","CESOMIMDWKQMDQ-UHFFFAOYSA-N","46934431",NA,"PDBC26531","756892","Present"
-"5-Fluoro-4-(hexadecylamino)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","5-Fluoro-4-(hexadecylamino)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one","","CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)CO)O","VIIIVEYBLWFYRP-UHFFFAOYSA-N","387053",NA,"PDBC26532","680421","Present"
-"5-Fluoro-7-hydroxymethyl-12-methylbenzanthracene","","","","","","","","","","","","","","","","","","","","LS-27827","","CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)CO)F","UEJIJNSRRLYVGR-UHFFFAOYSA-N","49959",NA,"PDBC26533","623134","Present"
-"5-Fluoro-7-nitroquinolin-8-ol","","","","","","","","","","","","","","","","","","","","5-fluoranyl-7-nitro-quinolin-8-ol","","C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])F","WJOHCSADJQUMCX-UHFFFAOYSA-N","260644",NA,"PDBC26534","92207","Present"
-"5-Fluoro-8-methyl-2-phenyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","5-Fluoro-8-methyl-2-phenylquinolin-4(1H)-one","","CC1=C2C(=C(C=C1)F)C(=O)C=C(N2)C3=CC=CC=C3","BKLUWPCSRWSGEB-UHFFFAOYSA-N","375910",NA,"PDBC26535","656247","Present"
-"5-Fluoro-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]de c-4-yl)-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-fluoro-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4....","","CC1C(=O)N(C2(S1)CCC(CC2)C3=CC=CC=C3)NC(=O)C4=C(C5=C(N4)C=CC(=C5)F)C6=CC=CC=C6","NHSMMMMHDJHGKL-UHFFFAOYSA-N","24205446",NA,"PDBC26536","735540","Present"
-"5-Fluoro-N-(3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1h-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-fluoro-N-(3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phen...","","C1CCC2(CC1)N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5","AXDWNTDIICMCFI-UHFFFAOYSA-N","24205443",NA,"PDBC26537","735537","Present"
-"5-Fluoro-N-(8-phenyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-fluoro-N-(8-phenyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-y...","","C1CC2(CCC1C3=CC=CC=C3)N(C(=O)CS2)NC(=O)C4=C(C5=C(N4)C=CC(=C5)F)C6=CC=CC=C6","IEKHBVSABHOFNW-UHFFFAOYSA-N","24205445",NA,"PDBC26538","735539","Present"
-"5-Fluoro-N-[(Z)-(4-methylphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Fluoro-N-[(Z)-(4-methylphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide","","CC1=CC=C(C=C1)C=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)F)C4=CC=CC=C4","GDYLQHMDBBDTLN-QFEZKATASA-N","60147752",NA,"PDBC26539","752358","Present"
-"5-Fluoro-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-1H-indole-3-carboxamide","","","","","","","","","","","","","","","","","","","","5-fluoro-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C4=CNC5=C4C=C(C=C5)F","YGQTUTPSADVZHT-ILIMOEPOSA-N","118245700",NA,"PDBC26540","783913","Present"
-"5-Fluorocytosine arabinoside","","","","","","","","","","","","","","","","","","","","ara-fc","","C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F","STRZQWQNZQMHQR-UHFFFAOYSA-N","352938",NA,"PDBC26541","529180","Present"
-"5-Fluoroindole-3-acetic acid","","","","","","","","","","","","","","","","","","","","ACT02530","","C1=CC2=C(C=C1F)C(=CN2)CC(=O)O","GWLLOJBOPVNWNF-UHFFFAOYSA-N","96750",NA,"PDBC26542","88616","Present"
-"5-Fluorotryptophan","","","","","","","","","","","","","","","","","","","","f0896","","C1=CC2=C(C=C1F)C(=CN2)CC(C(=O)O)N","INPQIVHQSQUEAJ-UHFFFAOYSA-N","9577",NA,"PDBC26543","9363","Present"
-"5-Fluorouracil 3-riboside","","","","","","","","","","","","","","","","","","","","5-fluorouracil 3-riboside","","C1=C(C(=O)N(C(=O)N1)C2C(C(C(O2)CO)O)O)F","CFYQMKPQRGCEPB-UHFFFAOYSA-N","295499",NA,"PDBC26544","521264","Present"
-"5-Fluorouracil arabinoside","","","","","","","","","","","","","","","","","","","","5-fur","","C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F","FHIDNBAQOFJWCA-UHFFFAOYSA-N","1821",NA,"PDBC26545","146604","Present"
-"5-Fluorouridine,2',3',5'-tri-O-acetyl","","","","","","","","","","","","","","","","","","","","Uridine, 5-fluoro-, 2',3',5'-triacetate","","CC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C)OC(=O)C","GWZWJYSFWAOCJZ-UHFFFAOYSA-N","330408",NA,"PDBC26546","318800","Present"
-"5-Formyl-2,6-dihydroxy-4-pyrimidinecarboxylic acid","","","","","","","","","","","","","","","","","","","","5-Formyl-2,6-dihydroxy-4-pyrimidinecarboxylic acid","","C(=O)C1=C(NC(=O)NC1=O)C(=O)O","HHVNSJSWSPVZPB-UHFFFAOYSA-N","381082",NA,"PDBC26547","667234","Present"
-"5-Furfurylidenerhodanine","","","","","","","","","","","","","","","","","","","","NSC31192","","C1=COC(=C1)C=C2C(=O)NC(=S)S2","ISSUVJNRFWFRIV-GQCTYLIASA-N","1269434",NA,"PDBC26548","31192","Present"
-"5-Guanidino-2-(prop-2-ynylamino)pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-(prop-2-ynylamino)pentanoic acid","","C#CCNC(CCCN=C(N)N)C(=O)O","DMLDMQLYKXWRIU-UHFFFAOYSA-N","393712",NA,"PDBC26549","696225","Present"
-"5-Guanidino-2-[(10-oxidoacridin-10-ium-9-yl)amino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-[(10-oxidoacridin-10-ium-9-yl)amino]pentanoic acid","","C1=CC=C2C(=C1)C(=NC(CCCN=C(N)N)C(=O)O)C3=CC=CC=C3N2O","GKTDYQAIWFEIFB-UHFFFAOYSA-N","494617",NA,"PDBC26550","627898","Present"
-"5-Guanidino-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]pentanoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC(CCCN=C(N)N)C(=O)O","LXYUWETVIGQKDY-UHFFFAOYSA-N","494611",NA,"PDBC26551","627892","Present"
-"5-Guanidino-2-[4-(4-imino-2-oxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-[4-(4-imino-2-oxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid","","C1=CN(C(=O)N=C1N)CCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","GHBFOTASJAWXOK-UHFFFAOYSA-N","391680",NA,"PDBC26552","691222","Present"
-"5-Guanidino-2-[4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-[4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid","","CC1=CN(C(=O)NC1=O)CCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","XCJWLLFOPHNPLK-UHFFFAOYSA-N","391684",NA,"PDBC26553","691226","Present"
-"5-Guanidino-2-[5-(4-imino-2-oxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-[5-(4-imino-2-oxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid","","C1=CN(C(=O)N=C1N)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","XZRVVZUYFBUDNN-UHFFFAOYSA-N","391681",NA,"PDBC26554","691223","Present"
-"5-Guanidino-2-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid","","CC1=CN(C(=O)NC1=O)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","LFNKORXZTAWKHD-UHFFFAOYSA-N","391685",NA,"PDBC26555","691227","Present"
-"5-Guanidino-2-[6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)hexoxycarbonylamino]pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Guanidino-2-[6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)hexoxycarbonylamino]pentanoic acid","","CC1=CN(C(=O)NC1=O)CCCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","DIODSEMKCJRCAK-UHFFFAOYSA-N","391686",NA,"PDBC26556","691228","Present"
-"5-Heptadecyl-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","AOD100661","","CCCCCCCCCCCCCCCCCC1=NN=C(O1)N","BYSGGXHBCBERTD-UHFFFAOYSA-N","360699",NA,"PDBC26557","623035","Present"
-"5-Heptenamide, N,N'-1,2-ethanediylbis[6-methyl-2,4-dioxo-","","","","","","","","","","","","","","","","","","","","6-Methyl-N-[2-[(6-methyl-2,4-dioxohept-5-enoyl)amino]ethyl]-2,4-dioxohept-5-enamide","","CC(=CC(=O)CC(=O)C(=O)NCCNC(=O)C(=O)CC(=O)C=C(C)C)C","HFTIYKYKYMRZLU-UHFFFAOYSA-N","366725",NA,"PDBC26558","635442","Present"
-"5-Hexenyl 2,3-dideoxyhex-2-enopyranoside","","","","","","","","","","","","","","","","","","","","5-Hexenyl 2,3-dideoxyhex-2-enopyranoside","","C=CCCCCOC1C=CC(C(O1)CO)O","XXCCPRNUMYAJDL-UHFFFAOYSA-N","388311",NA,"PDBC26559","683043","Present"
-"5-Hexyl-2'-deoxyuridine","","","","","","","","","","","","","","","","","","","","5-hexyl-2'-deoxyuridine","","CCCCCCC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O","DZGIFYLUHQAETO-UHFFFAOYSA-N","357416",NA,"PDBC26560","616231","Present"
-"5-Hexyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one","","","","","","","","","","","","","","","","","","","","5-Hexyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one","","CCCCCCN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O","HENQAHKOXXUQDO-UHFFFAOYSA-N","24204801",NA,"PDBC26561","732981","Present"
-"5-Hydrazinyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC684037","","C1(=C(NC(=S)N1)NN)C(=O)N.Cl","ZQJYEEVBSRZLOZ-UHFFFAOYSA-N","5469185",NA,"PDBC26562","684037","Present"
-"5-Hydro-8-oxo-2,4,10-tetramethoxy-6H-dibenzo(a,g)quinolizine","","","","","","","","","","","","","","","","","","","","5-Hydro-8-oxo-2,3,4,10-tetramethoxy-6H-dibenzo(a,g)quino...","","COC1=CC2=C(C=C1)C=C3C4=CC(=C(C(=C4CCN3C2=O)OC)OC)OC","ZMDCGCGRBISEGW-UHFFFAOYSA-N","370818",NA,"PDBC26563","644469","Present"
-"5-Hydroxy 3',4',7-trimethoxyspiro[chroman-3,7'-bicyclo[4.2.0]octa-[1(6),2,4]triene]-4-one","","","","","","","","","","","","","","","","","","","","5-hydroxy-3',4', 7-trimethoxyspiro{2H-1-benzopyran, 7'-b...","","COC1=CC(=C2C(=C1)OCC3(C2=O)CC4=CC(=C(C=C34)OC)OC)O","GTARHKGCDCSIQV-UHFFFAOYSA-N","404856",NA,"PDBC26564","721400","Present"
-"5-Hydroxy-1,5,5-triphenyl-1,3-pentanedione","","","","","","","","","","","","","","","","","","","","5-Hydroxy-1,5,5-triphenyl-1,3-pentanedione","","C1=CC=C(C=C1)C(=O)CC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O","SCGGIZZMOSXSIW-UHFFFAOYSA-N","366057",NA,"PDBC26565","634232","Present"
-"5-Hydroxy-1-[(E)-3-trimethylsilylallyl]pyrrolidin-2-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-1-[(E)-3-trimethylsilylallyl]pyrrolidin-2-one","","C[Si](C)(C)C=CCN1C(CCC1=O)O","ULGDTJRCGZRSRZ-XBXARRHUSA-N","5386720",NA,"PDBC26566","617354","Present"
-"5-Hydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7-triene-14,1'-cyclopropane]-3,10,13-trione","","","","","","","","","","","","","","","","","","","","5-Hydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7-triene-14,1'-cyclopropane]-3,10,13-trione","","CC12C3C(C(O1)C(=O)C24CC4)C(=O)C5=C(C3=O)C(=CC=C5)O","SDPCZBCMOVOFSV-UHFFFAOYSA-N","406707",NA,"PDBC26567","724972","Present"
-"5-Hydroxy-10,12-dihydrobenzo[b][5,1]benzothiaphosphocine 5,11,11-trioxide","","","","","","","","","","","","","","","","","","","","5-Hydroxy-10,12-dihydrobenzo[b][5,1]benzothiaphosphocine 5,11,11-trioxide","","C1C2=CC=CC=C2P(=O)(C3=CC=CC=C3CS1(=O)=O)O","HVKDIWZSRHINDC-UHFFFAOYSA-N","279209",NA,"PDBC26568","129505","Present"
-"5-Hydroxy-10,12-dihydrobenzo[b][5,1]benzothiaphosphocine 5-oxide","","","","","","","","","","","","","","","","","","","","5-Hydroxy-10,12-dihydrobenzo[b][5,1]benzothiaphosphocine 5-oxide","","C1C2=CC=CC=C2P(=O)(C3=CC=CC=C3CS1)O","HKHKQFVKKHWQJR-UHFFFAOYSA-N","279204",NA,"PDBC26569","129500","Present"
-"5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;2-hydroxypropanoic acid","","","","","","","","","","","","","","","","","","","","5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;2-hydroxypropanoic acid","","CC(C(=O)O)O.C1=CC2=C(C=C1O)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO","PWDKAXQANQVDOX-UHFFFAOYSA-N","438554",NA,"PDBC26570","645815","Present"
-"5-Hydroxy-10-methoxy-1-methylbenzo[g]quinolin-4-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-10-methoxy-1-methylbenzo[g]quinolin-4(1h)-one","","CN1C=CC(=O)C2=C(C3=CC=CC=C3C(=C21)OC)O","DKDZRORVIAQRPB-UHFFFAOYSA-N","406554",NA,"PDBC26571","724702","Present"
-"5-Hydroxy-2,2-dimethyl-6-methylidene-8-(2-methylpropyl)spiro[3,4,4a,5-tetrahydronaphthalene-7,1'-cyclopropane]-1-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2,2-dimethyl-6-methylidene-8-(2-methylpropyl)spiro[3,4,4a,5-tetrahydronaphthalene-7,1'-cyclopropane]-1-one","","CC(C)CC1=C2C(CCC(C2=O)(C)C)C(C(=C)C13CC3)O","JIRMCCJRAGXONU-UHFFFAOYSA-N","406839",NA,"PDBC26572","725130","Present"
-"5-Hydroxy-2,3-dimethyl-10-phenyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2,3-dimethyl-10-phenyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione","","CC1C(OC2=C(C1=O)C(=CC3=C2C(=CC(=O)O3)C4=CC=CC=C4)O)C","DLUPGSAQAPMEDY-UHFFFAOYSA-N","5387492",NA,"PDBC26573","624210","Present"
-"5-Hydroxy-2,3-dimethyl-4,7,8,9-tetrahydropyrazino[2,3-a]carbazol-10-one","","","","","","","","","","","","","","","","","","","","2,3-Dimethyl-4,7,8,9-tetrahydro-1H-pyrazino[2,3-a]carbazole-5,10-dione","","CC1=C(N=C2C(=C(C=C3C2=NC4=C3CCCC4=O)O)N1)C","FWBQDPQDHPFZNK-UHFFFAOYSA-N","135426814",NA,"PDBC26574","720173","Present"
-"5-Hydroxy-2,4-dioxo-N-(3-(trifluoromethyl)phenyl)pentanamide","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2,4-dioxo-N-(3-(trifluoromethyl)phenyl)pentanamide","","C1=CC(=CC(=C1)NC(=O)C(=O)CC(=O)CO)C(F)(F)F","QXMIOFBVJFXNDN-UHFFFAOYSA-N","360653",NA,"PDBC26575","622971","Present"
-"5-Hydroxy-2,4-dioxo-N-phenylpentanamide","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2,4-dioxo-N-phenylpentanamide","","C1=CC=C(C=C1)NC(=O)C(=O)CC(=O)CO","LAIKSRVKUVVUAC-UHFFFAOYSA-N","364928",NA,"PDBC26576","631814","Present"
-"5-Hydroxy-2,4-dioxo-pentanoic acid (4-nitro-thiazol-2-yl)-amide","","","","","","","","","","","","","","","","","","","","5-Hydroxy-N-(4-nitrothiazol-2-yl)-2,4-dioxo-pentanamide","","C1=C(N=C(S1)NC(=O)C(=O)CC(=O)CO)[N+](=O)[O-]","QUFCILCFDKWQFA-UHFFFAOYSA-N","364966",NA,"PDBC26577","631852","Present"
-"5-Hydroxy-2,6-dimethyl-2H-isoindole-4,7-dione","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2,6-dimethyl-2H-isoindole-4,7-dione","","CC1=C(C2=CN(C=C2C(=O)C1=O)C)O","PIDMOAQKRCCRJE-UHFFFAOYSA-N","360232",NA,"PDBC26578","622252","Present"
-"5-Hydroxy-2-(1-hydroxy-11-phenylundecylidene)cyclohexane-1,3-dione","","","","","","","","","","","","","","","","","","","","2-Cyclohexen-3,5-diol-1-one, 2-[11-phenylundecanoyl]-","","C1C(CC(=O)C(=C(CCCCCCCCCCC2=CC=CC=C2)O)C1=O)O","YMWGUURVILDETI-UHFFFAOYSA-N","365015",NA,"PDBC26579","631950","Present"
-"5-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2-(2-hydroxy-4-methoxy-phenyl)-6,7,8-trimethox...","","COC1=CC(=C(C=C1)C2CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O","HBMSDJPRMIJWFE-UHFFFAOYSA-N","121225977",NA,"PDBC26580","785305","Present"
-"5-Hydroxy-2-(2-methylphenyl)pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2-(2-methylphenyl)pentanoic acid","","CC1=CC=CC=C1C(CCCO)C(=O)O","GJGHEAKSFHVJCX-UHFFFAOYSA-N","359302",NA,"PDBC26581","620052","Present"
-"5-Hydroxy-2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyridin-4-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2-(hydroxymethyl)-1-[2-(1h-indol-3-yl)ethyl]pyridin-4(1h)-one","","C1=CC=C2C(=C1)C(=CN2)CCN3C=C(C(=O)C=C3CO)O","YCTYJMHFXWZXRL-UHFFFAOYSA-N","404677",NA,"PDBC26582","721116","Present"
-"5-Hydroxy-2-methoxy-3-methylbenzaldehyde","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2-methoxy-3-methylbenzaldehyde","","CC1=CC(=CC(=C1OC)C=O)O","NACFKEASXBZDEH-UHFFFAOYSA-N","358361",NA,"PDBC26583","618327","Present"
-"5-Hydroxy-2-methoxybenzaldehyde","","","","","","","","","","","","","","","","","","","","AK108464","","COC1=C(C=C(C=C1)O)C=O","HWNIBJPEJAWOTR-UHFFFAOYSA-N","358341",NA,"PDBC26584","618306","Present"
-"5-Hydroxy-2-methyl-6-(piperidin-1-ylmethyl)pyrimidin-4(1h)-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2-methyl-6-(piperidin-1-ylmethyl)pyrimidin-4(1h)-one","","CC1=NC(=C(C(=O)N1)O)CN2CCCCC2","NLUOFASCVSIDDR-UHFFFAOYSA-N","135451587",NA,"PDBC26585","101652","Present"
-"5-Hydroxy-2-methyl-9-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2-methyl-9-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one","","CC1=CC(=O)C2=C(O1)C3=C(C=C2O)OCC(=CC3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O","HJOAQEYWNOPRHE-UHFFFAOYSA-N","373656",NA,"PDBC26586","650386","Present"
-"5-Hydroxy-2-nonyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2-nonyl-4H-chromen-4-one","","CCCCCCCCCC1=CC(=O)C2=C(C=CC=C2O1)O","SNEHYEVNOARYTM-UHFFFAOYSA-N","365028",NA,"PDBC26587","631963","Present"
-"5-Hydroxy-2-oxo-4,5-diphenyl-1H-pyrrole-3-carbonitrile","","","","","","","","","","","","","","","","","","","","STK004597","","C1=CC=C(C=C1)C2=C(C(=O)NC2(C3=CC=CC=C3)O)C#N","DNNPZVTYQAHMTJ-UHFFFAOYSA-N","360076",NA,"PDBC26588","621874","Present"
-"5-Hydroxy-2-undecyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2-undecyl-4H-chromen-4-one","","CCCCCCCCCCCC1=CC(=O)C2=C(C=CC=C2O1)O","CQTVVLLURKBIKT-UHFFFAOYSA-N","365029",NA,"PDBC26589","631964","Present"
-"5-Hydroxy-20,20-dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4(9),5,7-triene-3,10,13-trione","","","","","","","","","","","","","","","","","","","","5-Hydroxy-20,20-dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4(9),5,7-triene-3,10,13-trione","","CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=C(C5=O)C=CC=C6O)C","STDLXXUSBWDFHH-UHFFFAOYSA-N","406716",NA,"PDBC26590","724981","Present"
-"5-Hydroxy-3,5-dimethyl-isoxazol-4-one oxime","","","","","","","","","","","","","","","","","","","","5-Hydroxy-3,5-dimethyl-isoxazol-4-one oxime","","CC1=NOC(C1=NO)(C)O","QIBIZPIECFGQTL-GQCTYLIASA-N","135493978",NA,"PDBC26591","686466","Present"
-"5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone","","","","","","","","","","","","","","","","","","","","07JTS22V9J","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)OC","JDVPHCLYMGBZLE-UHFFFAOYSA-N","136417",NA,"PDBC26592","618935","Present"
-"5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one","","COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=CC(=C3O2)OC)OC)O)OC","NRKZWKQNNBDASC-UHFFFAOYSA-N","355799",NA,"PDBC26593","610173","Present"
-"5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone","","","","","","","","","","","","","","","","","","","","5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone","","COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC","RIBQNZSBOGKTHR-UHFFFAOYSA-N","5379400",NA,"PDBC26594","678104","Present"
-"5-Hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(2-phenylsulfanylethyl)-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(2-phenylsulfanylethyl)-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one","","CC(C)C1(C(=O)N(C(=S)N1CCSC2=CC=CC=C2)C3=C(C(=C(C(=C3F)F)F)F)F)O","ZYUBCAJDNQZGSJ-UHFFFAOYSA-N","386074",NA,"PDBC26595","677647","Present"
-"5-Hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one","","CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3OC)OC=C(C4=O)C5=CC(=C(C(=C5)C)O)OC)O)OC)O)O)O)O)O)O","OUVQAXPDYPPQCR-UHFFFAOYSA-N","5470694",NA,"PDBC26596","704587","Present"
-"5-Hydroxy-3-(7-methoxy-2-oxo-2H-chromen-3-yl)pyrano[3,2-c]chromen-2(5H)-one","","","","","","","","","","","","","","","","","","","","5-hydroxy-3-(7-methoxy-2-oxo-2H-chromen-3-yl)pyrano[3,2-...","","COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC4=C(C5=CC=CC=C5OC4O)OC3=O","WWMQSQPDVDHQTL-UHFFFAOYSA-N","45028496",NA,"PDBC26597","742947","Present"
-"5-Hydroxy-3-methylfuro[2,3-f]quinoline-2-carbaldehyde dimethylhydrazone","","","","","","","","","","","","","","","","","","","","2-[(E)-(Dimethylhydrazono)methyl]-3-methyl-furo[2,3-f]quinolin-5-ol","","CC1=C(OC2=C3C=CC=NC3=C(C=C12)O)C=NN(C)C","ITTJUXBHZNDGTR-CAOOACKPSA-N","5326297",NA,"PDBC26598","651003","Present"
-"5-Hydroxy-3-phenylpyrano[3,2-c]chromen-2(5H)-one","","","","","","","","","","","","","","","","","","","","5-hydroxy-3-phenylpyrano[3,2-c]chromen-2(5H)-one","","C1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C4OC3O)OC2=O","DPRQIAWOUAPLMK-UHFFFAOYSA-N","24205741",NA,"PDBC26599","736555","Present"
-"5-Hydroxy-4-nonyl-2-chromanone","","","","","","","","","","","","","","","","","","","","5-Hydroxy-4-nonyl-2-chromanone","","CCCCCCCCCC1CC(=O)OC2=CC=CC(=C12)O","FQLNIFWNMBTYBI-UHFFFAOYSA-N","365020",NA,"PDBC26600","631955","Present"
-"5-Hydroxy-5H-isoindolo[2,3-b]isoquinolin-7-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-5H-isoindolo[2,3-b]isoquinolin-7-one","","C1=CC=C2C(N3C(=CC2=C1)C4=CC=CC=C4C3=O)O","SNSPLORRRRLTSN-UHFFFAOYSA-N","353867",NA,"PDBC26601","603330","Present"
-"5-Hydroxy-6,7-dimethoxy-3-(4-hydroxybenzyl)chroman-4-one","","","","","","","","","","","","","","","","","","","","5-hydroxy-6, 7-dimethoxy-3-(4'-hydroxybenzyl)-4-chromanone","","COC1=C(C(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O)OC","ALJBUGCEHCIDIM-UHFFFAOYSA-N","404854",NA,"PDBC26602","721398","Present"
-"5-Hydroxy-6-methoxy-8-nitroquinoline","","","","","","","","","","","","","","","","","","","","QAICTYKDANKDKI-UHFFFAOYSA-N","","COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=CC=C2)O","QAICTYKDANKDKI-UHFFFAOYSA-N","135399288",NA,"PDBC26603","2785","Present"
-"5-Hydroxy-7-[3-(4-methylhexahydro-1-pyrazinyl)propyloxy]-2-p henyl-4H-4-chromenone","","","","","","","","","","","","","","","","","","","","5-hydroxy-7-[3-(4-methylhexahydro-1-pyrazinyl)propyloxy]...","","CN1CCN(CC1)CCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O","ZLXGCJYBWWEVOC-UHFFFAOYSA-N","24205897",NA,"PDBC26604","737145","Present"
-"5-Hydroxy-7-[3-methoxy-4-(tetrahydro-pyran-2-yloxy)-phenyl]-4-{3-[3-methoxy-4-(tetrahydro-pyran-2-yloxy)-phenyl]-acryloy l}-hepta-2,6-trienoic acid ethyl ester","","","","","","","","","","","","","","","","","","","","5-Hydroxy-7-[3-methoxy-4-(tetrahydro-pyran-2-yloxy)-phen...","","CCOC(=O)C=CC(=C(C=CC1=CC(=C(C=C1)OC2CCCCO2)OC)O)C(=O)C=CC3=CC(=C(C=C3)OC4CCCCO4)OC","NQTQSGCUXWJADB-XQZKAEAZSA-N","54699000",NA,"PDBC26605","735204","Present"
-"5-Hydroxy-7-[5-(1,4-oxazinan-4-yl)pentyloxy]-2-phenyl-4H-4-c hromenone","","","","","","","","","","","","","","","","","","","","5-hydroxy-7-[5-(1,4-oxazinan-4-yl)pentyloxy]-2-phenyl-4H...","","C1COCCN1CCCCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O","QCCUOGVSLZZRLA-UHFFFAOYSA-N","24205486",NA,"PDBC26606","736039","Present"
-"5-Hydroxy-7-[5-(4-methylhexahydro-1-pyrazinyl)pentyloxy]-2-p henyl-4H-4-chromenone","","","","","","","","","","","","","","","","","","","","5-hydroxy-7-[5-(4-methylhexahydro-1-pyrazinyl)pentyloxy]...","","CN1CCN(CC1)CCCCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O","DNEYFGXKNRBITD-UHFFFAOYSA-N","24205487",NA,"PDBC26607","736040","Present"
-"5-Hydroxy-7-methoxy-3-(4-hydroxybenzyl)chroman-4-one","","","","","","","","","","","","","","","","","","","","5-hydroxy-7-methoxy-3-(4'-hydroxybenzyl)-4-chromanone","","COC1=CC(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O","FULPZMATFBTFNA-UHFFFAOYSA-N","404855",NA,"PDBC26608","721399","Present"
-"5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone","","","","","","","","","","","","","","","","","","","","5-Hydroxy-7-methoxy-6,8-dimethylfavanon","","CC1=C(C2=C(C(=C1OC)C)OC(CC2=O)C3=CC=CC=C3)O","KZNAGLGLKRUIPD-UHFFFAOYSA-N","369596",NA,"PDBC26609","641477","Present"
-"5-Hydroxy-7-methoxy-6-methylflavone","","","","","","","","","","","","","","","","","","","","5-Hydroxy-7-methoxy-6-methylflavon","","CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OC","QXJMWAGIFVRLTO-UHFFFAOYSA-N","369599",NA,"PDBC26610","641480","Present"
-"5-Hydroxy-7-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1-pyrazinyl]pentyloxy}-2-phenyl-4H-4-chromenone","","","","","","","","","","","","","","","","","","","","5-hydroxy-7-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1-pyra...","","C1CN(CCN1CCCCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)C5=CC(=O)OC6=CC=CC=C65","YUZMKVMPQAYLPH-UHFFFAOYSA-N","24205466",NA,"PDBC26611","735824","Present"
-"5-Hydroxy-9-methyl-3-(2-oxo-2H-chromen-3-yl)pyrano[3,2-c]chr omen-2(5H)-one","","","","","","","","","","","","","","","","","","","","5-hydroxy-9-methyl-3-(2-oxo-2H-chromen-3-yl)pyrano[3,2-c...","","CC1=CC2=C(C=C1)OC(C3=C2OC(=O)C(=C3)C4=CC5=CC=CC=C5OC4=O)O","CDBITYKFNJVXLH-UHFFFAOYSA-N","24205003",NA,"PDBC26612","733927","Present"
-"5-Hydroxyindole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","H-6300","","C1=CC2=C(C=C1O)C=C(N2)C(=O)O","BIMHWDJKNOMNLD-UHFFFAOYSA-N","88958",NA,"PDBC26613","117338","Present"
-"5-Hydroxymethyl-2,2,5-trimethyl-1,3-dioxane","","","","","","","","","","","","","","","","","","","","ACM3663465","","CC1(OCC(CO1)(C)CO)C","MBENEXSAQJBPKP-UHFFFAOYSA-N","373709",NA,"PDBC26614","650610","Present"
-"5-Hydroxymethyl-2,3-bis-(4-methanesulfonylphenyl)tetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","5-Hydroxymethyl-2,3-bis-(4-methanesulfonylphenyl)tetrahy...","","CS(=O)(=O)C1=CC=C(C=C1)C2C(CC(O2)CO)(C3=CC=C(C=C3)S(=O)(=O)C)O","JCFNNKJKTGOFNG-LZQZEXGQSA-N","44424016",NA,"PDBC26615","743323","Present"
-"5-Hydroxymethyl-2,3-bis-(4-methoxyphenyl)tetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","5-Hydroxymethyl-2,3-bis-(4-methoxyphenyl)tetrahydrofuran...","","COC1=CC=C(C=C1)C2C(CC(O2)CO)(C3=CC=C(C=C3)OC)O","WZFCMGRPDNADRU-QRVBRYPASA-N","42609839",NA,"PDBC26616","743322","Present"
-"5-Hydroxymethylcytosine","","","","","","","","","","","","","","","","","","","","2(1H)-Pyrimidinone, 4-amino-5-(hydroxymethyl)- (9CI)","","C1=NC(=O)NC(=C1CO)N","RYVNIFSIEDRLSJ-UHFFFAOYSA-N","70751",NA,"PDBC26617","27368","Present"
-"5-Hydroxymethyluracil","","","","","","","","","","","","","","","","","","","","Thymine, .alpha.-hydroxy-","","C1=C(C(=O)NC(=O)N1)CO","JDBGXEHEIRGOBU-UHFFFAOYSA-N","78168",NA,"PDBC26618","20901","Present"
-"5-Hydroxypicolinaldehyde thiosemicarbazone","","","","","","","","","","","","","","","","","","","","5-HP","","C1=CC(=NC=C1O)C=NNC(=S)N","LJHGXGDHNOZLFT-XCVCLJGOSA-N","135453292",NA,"PDBC26619","107392","Present"
-"5-Imino-1,3,6-triphenyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dithione","","","","","","","","","","","","","","","","","","","","5-Imino-1,3,6-triphenyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[6,5-d]pyrimidine-2,4-dithione","","C1CCN(C1)CCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6","SJVYWFQLQAFMML-UHFFFAOYSA-N","396735",NA,"PDBC26620","703445","Present"
-"5-Imino-1,3,6-triphenyl-7-(3-piperidin-1-ylpropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dithione","","","","","","","","","","","","","","","","","","","","5-Imino-1,3,6-triphenyl-7-[3-(1-piperidyl)propylsulfanyl]pyrimido[6,5-d]pyrimidine-2,4-dithione","","C1CCN(CC1)CCCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6","XXRDVUOSJIQWET-UHFFFAOYSA-N","396739",NA,"PDBC26621","703449","Present"
-"5-Imino-2,4-dimethyl-3,5,6,10b-tetrahydrobenzo[c][2,7]naphthyridine-1-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Imino-2,4-dimethyl-3,5,6,10b-tetrahydrobenzo[c][2,7]naphthyridine-1-carbonitrile","","CC1=C(C2C3=CC=CC=C3N=C(C2=C(N1)C)N)C#N","WDPDPVNIDDCTTK-UHFFFAOYSA-N","381178",NA,"PDBC26622","667508","Present"
-"5-Imino-3-methylsulfanyl-2-phenyl-1H-pyrazole-4-carbothioamide","","","","","","","","","","","","","","","","","","","","5-Imino-3-methylsulfanyl-2-phenyl-1H-pyrazole-4-carbothioamide","","CSC1=C(C(=NN1C2=CC=CC=C2)N)C(=S)N","LEIQTXQVSPNPBY-UHFFFAOYSA-N","3005336",NA,"PDBC26623","692010","Present"
-"5-Imino-7-(2-morpholin-4-ylethylsulfanyl)-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione","","","","","","","","","","","","","","","","","","","","5-Imino-7-(2-morpholinoethylsulfanyl)-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione","","C1COCCN1CCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6","BVUCOELPSGTXME-UHFFFAOYSA-N","396736",NA,"PDBC26624","703446","Present"
-"5-Iodo-1-(6-methyl-5-oxo-2H-pyran-2-yl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Iodo-1-(2,3,6-trideoxy-.alpha.-L-hex-2-enopyranos-4-ul...","","CC1C(=O)C=CC(O1)N2C=C(C(=O)NC2=O)I","CIWUNINXAJMBOY-UHFFFAOYSA-N","368119",NA,"PDBC26625","638461","Present"
-"5-Iodo-1-methyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione","","","","","","","","","","","","","","","","","","","","Spiro(furan-2(5H),3'-(3H)indole)-2'(1'H),5-dione, 3,4-di...","","CN1C2=C(C=C(C=C2)I)C3(C1=O)CC(=C)C(=O)O3","VLWABQVGEIURBF-UHFFFAOYSA-N","307241",NA,"PDBC26626","205098","Present"
-"5-Iodo-2-(2-phenoxyacetylamino)benzamide","","","","","","","","","","","","","","","","","","","","5-iodo-2-(2-phenoxyacetamido)benzamide","","C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)I)C(=O)N","SSMKHHLWFKIXNJ-UHFFFAOYSA-N","122188000",NA,"PDBC26627","773278","Present"
-"5-Iodo-2-pyrimidinone-2'-deoxyribose","","","","","","","","","","","","","","","","","","","","IPdR","","C1C(C(OC1N2C=C(C=NC2=O)I)CO)O","XIJXHOVKJAXCGJ-UHFFFAOYSA-N","14326905",NA,"PDBC26628","726188","Present"
-"5-Iodo-2-{[(2)-3-(2-chlorophenyl)prop-2-enoyl]amino}benzamide","","","","","","","","","","","","","","","","","","","","5-iodo-2-{[(2)-3-(2-chlorophenyl)prop-2-enoyl]amino}benz...","","C1=CC=C(C(=C1)C=CC(=O)NC2=C(C=C(C=C2)I)C(=O)N)Cl","LDTVDHNQFCJUJM-VMPITWQZSA-N","53329762",NA,"PDBC26629","748148","Present"
-"5-Iodo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide","","","","","","","","","","","","","","","","","","","","5-iodo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide","","C1=CC=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)I)C(=O)N","XTLFIHQBWVSBQT-RMKNXTFCSA-N","45029271",NA,"PDBC26630","745962","Present"
-"5-Iodo-8-quinolinol","","","","","","","","","","","","","","","","","","","","8-Hydroxy-5-iodoquinoline","","C1=CC2=C(C=CC(=C2N=C1)O)I","SUQZNPQQZDQDPJ-UHFFFAOYSA-N","96111",NA,"PDBC26631","53183","Present"
-"5-Iodo-Indirubin-3'-monoxime","","","","","","","","","","","","","","","","","","","","K00192","","C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)I)O)N=O","WCCYEJYTLNWYCC-UHFFFAOYSA-N","403176",NA,"PDBC26632","717830","Present"
-"5-Iodopyrimidin-2-ol","","","","","","","","","","","","","","","","","","","","5-Iodopyrimidinone","","C1=C(C=NC(=O)N1)I","PVHCYDBPRLPQMP-UHFFFAOYSA-N","11959096",NA,"PDBC26633","754229","Present"
-"5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione","","","","","","","","","","","","","","","","","","","","5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione","","CC(C)CC1C(=O)OC(OC1=O)(C)C","BICARUVXPMQQSV-UHFFFAOYSA-N","382346",NA,"PDBC26634","669815","Present"
-"5-Isobutyl-2,2-dimethyl-3,10-dihydro-1h-phenothiazin-5-ium-4-one","","","","","","","","","","","","","","","","","","","","5-Isobutyl-2,2-dimethyl-1,3-dihydrophenothiazin-5-ium-4-olate","","CC(C)C[S+]1C2=CC=CC=C2N=C3C1=C(CC(C3)(C)C)[O-]","JXCUKBUDWUTEPE-UHFFFAOYSA-N","390752",NA,"PDBC26635","688509","Present"
-"5-Isobutyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-Isobutyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CC(C)CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5","UIXOARAAEKCNHD-UHFFFAOYSA-N","362433",NA,"PDBC26636","626382","Present"
-"5-Isopentyl-1H-pyrazolo[4,3-c]quinoline-3,4(2H,5H)-dione","","","","","","","","","","","","","","","","","","","","5-Isopentyl-1H-pyrazolo[4,3-c]quinoline-3,4(2H,5H)-dione","","CC(C)CCN1C2=CC=CC=C2C3=C(C1=O)C(=O)NN3","TWSDHTNMSNCEIY-UHFFFAOYSA-N","384974",NA,"PDBC26637","675804","Present"
-"5-Isopentyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-Isopentyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CC(C)CCC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5","HYJNQPCLXJNAOY-UHFFFAOYSA-N","362432",NA,"PDBC26638","626381","Present"
-"5-Isopropyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-Isopropyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CC(C)C1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5","FYPLYVPUIGBRQE-UHFFFAOYSA-N","362917",NA,"PDBC26639","627392","Present"
-"5-Isopropyl-3-methyl-8-[(E)-propyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-propyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol","","","","","","","","","","","","","","","","","","","","3-Methyl-5-propan-2-yl-8-(propyliminomethyl)-2-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-(propyliminomethyl)naphthalen-2-yl]naphthalene-1,6,7-triol","","CCCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCC)O)O)C(C)C)O)O)C(C)C)O)O","KDUQILNNGDURPN-UHFFFAOYSA-N","374352",NA,"PDBC26640","651923","Present"
-"5-Isopropyl-8-methyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid","","","","","","","","","","","","","","","","","","","","2-[2-[[2-(Benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]acetic acid","","CC(C)C(C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1","KQRARTKRXBMYFN-UHFFFAOYSA-N","381441",NA,"PDBC26641","668029","Present"
-"5-Ketobornyl acetate","","","","","","","","","","","","","","","","","","","","(1R)-(+)-5-Oxobornyl acetate///(1S)-(+)-5-Oxobornyl acetate","","CC(=O)OC1CC2C(=O)CC1(C2(C)C)C","LJJDMLPORNJBCT-UHFFFAOYSA-N","281960",NA,"PDBC26642","657828///657831","Present"
-"5-Me-XAA","","","","","","","","","","","","","","","","","","","","5-Me-XAA","","CC1=C2C(=CC=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O.[Na+]","IKFDUFXWODGLOC-UHFFFAOYSA-N","54608571",NA,"PDBC26643","677591","Present"
-"5-Mercapto-2-phenyl-4-quinolone","","","","","","","","","","","","","","","","","","","","5SH-2Ph-Quinol4one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC=C3S","XDXDOSAYNRPOIS-UHFFFAOYSA-N","377400",NA,"PDBC26644","658843","Present"
-"5-Methoxy,3-prenyl 7-O-rhamnopyranosido flavone","","","","","","","","","","","","","","","","","","","","5-methoxy, 4'-hydroxy,3-prenyl 7-O-rhamnopyranosido flavone","","CC1C(C(C(C(O1)OC2=CC3=C(C(=C2)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)CC=C(C)C)O)O)O","UAQRDUFPTMEXHQ-UHFFFAOYSA-N","24205532",NA,"PDBC26645","736112","Present"
-"5-Methoxy-1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one","","","","","","","","","","","","","","","","","","","","3-methoxy 4-azaisoindole[2,1-a]quinoxalin-6(5H)-one","","COC1=CC2=C(C=C1)N3C=C4C(=C3C(=O)N2)C=CC=N4","FVIYLCXRDUAREO-UHFFFAOYSA-N","155814451",NA,"PDBC26646","754595","Present"
-"5-Methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","5-Methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=C(C2)C(=CC=C3)OC)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]","SFADEOOUBNVQFK-UHFFFAOYSA-M","402080",NA,"PDBC26647","715778","Present"
-"5-Methoxy-16-methyl-18-thia-13-azatetracyclo[9.7.0.02,7.012,16]octadeca-2(7),3,5,12-tetraene","","","","","","","","","","","","","","","","","","","","5-Methoxy-16-methyl-18-thia-13-azatetracyclo[9.7.0.02,7.012,16]octadeca-2(7),3,5,12-tetraene","","CC12CCN=C1C3CCCC4=C(C3SC2)C=CC(=C4)OC","WJMWCONWAQRXOI-UHFFFAOYSA-N","358204",NA,"PDBC26648","618095","Present"
-"5-Methoxy-16-methyl-8-oxa-18-thia-13-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),3,5,12-pentaene","","","","","","","","","","","","","","","","","","","","5-Methoxy-16-methyl-8-oxa-18-thia-13-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),3,5,12-pentaene","","CC12CCN=C1C3=C(C4=C(C=C(C=C4)OC)OCC3)SC2","VPNHVAAVZWIFMM-UHFFFAOYSA-N","358203",NA,"PDBC26649","618094","Present"
-"5-Methoxy-2,1,3-benzoselenadiazole","","","","","","","","","","","","","","","","","","","","5-Methoxypiazselenole","","COC1=CC2=N[Se]N=C2C=C1","AIUMCRZJPYFOQK-UHFFFAOYSA-N","357317",NA,"PDBC26650","615551","Present"
-"5-Methoxy-2,2-dimethyl-7-[4-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-one","","","","","","","","","","","","","","","","","","","","5-O-Methyl-4'-O-(3-methyl-2-butenyl)alpinumisoflavone","","CC(=CCC1=CC=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)OC)C","MBKOHMUWTSBESL-UHFFFAOYSA-N","388673",NA,"PDBC26651","683691","Present"
-"5-Methoxy-2-(1-naphthylmethylene)-1-indanone","","","","","","","","","","","","","","","","","","","","5-Methoxy-2-(1-naphthylmethylene)-1-indanone","","COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CC4=CC=CC=C43)C2","VGOXKPBJKXWXJS-GZTJUZNOSA-N","5468151",NA,"PDBC26652","665378","Present"
-"5-Methoxy-2-[(2-phenoxyacetyl)amino]benzamide","","","","","","","","","","","","","","","","","","","","5-methoxy-2-(2-phenoxyacetamido)benzamide","","COC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)C(=O)N","DQDXSRPKBHLGJS-UHFFFAOYSA-N","122188008",NA,"PDBC26653","773279","Present"
-"5-Methoxy-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one","","","","","","","","","","","","","","","","","","","","(Z)-5-Methoxy-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzo...","","COC1=CC2=C(C=C1)OC(=CC3=CC=C(O3)[N+](=O)[O-])C2=O","ZKJCFDIOIGKLOB-GHXNOFRVSA-N","10401775",NA,"PDBC26654","772277","Present"
-"5-Methoxy-2-methyl-1-[2-(4-methyl-piperazin-1-yl)-ethyl]-1H-indole-3-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 5-methoxy-2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-1h-indole-3-carboxylate hydrochloride","","CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)CCN3CCN(CC3)C)C.Cl","UUGKFARVVURANL-UHFFFAOYSA-N","403034",NA,"PDBC26655","717507","Present"
-"5-Methoxy-2-phenyl-1H-indole","","","","","","","","","","","","","","","","","","","","Bionet2_000700","","COC1=CC2=C(C=C1)NC(=C2)C3=CC=CC=C3","XLYAWBZMLNSOBU-UHFFFAOYSA-N","292850",NA,"PDBC26656","159031","Present"
-"5-Methoxy-2-pyridin-4-yl-1H-benzoimidazole-4,7-dione","","","","","","","","","","","","","","","","","","","","5-Methoxy-2-pyridin-4-yl-1H-benzoimidazole-4,7-dione","","COC1=CC(=O)C2=C(C1=O)NC(=N2)C3=CC=NC=C3","ONMZXAONUNUDBY-UHFFFAOYSA-N","45027928",NA,"PDBC26657","740159","Present"
-"5-Methoxy-2H-naphtho[2,3-h]chromene-7,12-dione","","","","","","","","","","","","","","","","","","","","5-Methoxy-2H-naphtho[2,3-h]chromene-7,12-dione","","COC1=C2C=CCOC2=C3C(=C1)C(=O)C4=CC=CC=C4C3=O","XSXCDQSWMAEDRL-UHFFFAOYSA-N","363263",NA,"PDBC26658","628015","Present"
-"5-Methoxy-3-[(5-methoxy-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole","","","","","","","","","","","","","","","","","","","","3,3'-Methanediylbis(5-methoxy-1,2-dimethyl-1H-indole)","","CC1=C(C2=C(N1C)C=CC(=C2)OC)CC3=C(N(C4=C3C=C(C=C4)OC)C)C","GAHNCSVYQXYSTN-UHFFFAOYSA-N","373115",NA,"PDBC26659","649057","Present"
-"5-Methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole","","","","","","","","","","","","","","","","","","","","5-Methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole","","CC(=CC1=CNC2=C1C=C(C=C2)OC)C3=CC=NC=C3","SNVHSFVDDWBOPU-XFXZXTDPSA-N","5386680",NA,"PDBC26660","615606","Present"
-"5-Methoxy-3-[(Z)-[1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-5-methoxy-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3...","","COC1=CC2=C(C=C1)NC(=C2C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC(=C(C(=C6)OC)OC)OC)O","WVTJNOKZSATQFJ-VKAVYKQESA-N","155816036",NA,"PDBC26661","761817","Present"
-"5-Methoxy-3-[(Z)-[1-(4-methoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-5-methoxy-3-((1-(4-methoxyphenyl)-9H-pyrido[3,4-b]in...","","COC1=CC=C(C=C1)C2=NC(=CC3=C(NC4=C3C=C(C=C4)OC)O)C=C5C2=NC6=CC=CC=C65","GODPAVAAQBJPLE-VKAVYKQESA-N","155814535",NA,"PDBC26662","761840","Present"
-"5-Methoxy-3-[5-(5-methoxy-1-methylindol-3-yl)furan-2-yl]-1-methylindole","","","","","","","","","","","","","","","","","","","","3,3?-furan-2,5-diylbis(5-methoxy-1-methyl-1H-indole)","","CN1C=C(C2=C1C=CC(=C2)OC)C3=CC=C(O3)C4=CN(C5=C4C=C(C=C5)OC)C","HSGZDGBPDNLOFS-UHFFFAOYSA-N","45028187",NA,"PDBC26663","741440","Present"
-"5-Methoxy-3-[5-(5-methoxy-1-methylindol-3-yl)thiophen-2-yl]-1-methylindole","","","","","","","","","","","","","","","","","","","","3,3?-THIENE-2,5-DIYLBIS(5-METHOXY-1-METHYL-1H-INDOLE)","","CN1C=C(C2=C1C=CC(=C2)OC)C3=CC=C(S3)C4=CN(C5=C4C=C(C=C5)OC)C","JEYAYGBULNFGGQ-UHFFFAOYSA-N","45027913",NA,"PDBC26664","740105","Present"
-"5-Methoxy-3-methyl-N-naphthalen-1-yl-1,3-thiazolidin-2-imine;hydrobromide","","","","","","","","","","","","","","","","","","","","5-Methoxy-3-methyl-N-naphthalen-1-yl-1,3-thiazolidin-2-imine;hydrobromide","","CN1CC(SC1=NC2=CC=CC3=CC=CC=C32)OC.Br","ASQMQAAKYJUFJC-UHFFFAOYSA-N","5351235",NA,"PDBC26665","135996","Present"
-"5-Methoxy-3-{2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl] propyl}-2-phenyl-7-methyl-1,2,3,4-tetrahydropyrido [3,4-d]pyridazine","","","","","","","","","","","","","","","","","","","","5-Methoxy-3-{2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazi...","","CC1=CC2=C(C(=N1)OC)C(=O)N(N(C2=O)C3=CC=CC=C3)CC(CN4CCN(CC4)C5=CC=CC=C5OC)O","URIUMZGHMXQNHX-UHFFFAOYSA-N","24206052",NA,"PDBC26666","737791","Present"
-"5-Methoxy-3-{2-hydroxy-3-[4-(4-chlorophenyl)-1-piperazinyl]p ropyl}-2-phenyl-7-methyl-1,2,3,4-tetrahydropyrido[3,4-d]pyridazine","","","","","","","","","","","","","","","","","","","","5-Methoxy-3-{2-hydroxy-3-[4-(4-chlorophenyl)-1-piperazin...","","CC1=CC2=C(C(=N1)OC)C(=O)N(N(C2=O)C3=CC=CC=C3)CC(CN4CCN(CC4)C5=CC=C(C=C5)Cl)O","DAKHWTHCNINNMZ-UHFFFAOYSA-N","24206053",NA,"PDBC26667","737792","Present"
-"5-Methoxy-3-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}-2-phenyl-7-methyl-1,2,3,4-tetrahydropyrido [3,4-d] pyridazine","","","","","","","","","","","","","","","","","","","","5-Methoxy-3-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl...","","CC1=CC2=C(C(=N1)OC)C(=O)N(N(C2=O)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=CC=C5OC","PNIDULDBBYIPRU-UHFFFAOYSA-N","24206050",NA,"PDBC26668","737789","Present"
-"5-Methoxy-3-{3-[4-(4-chlorophenyl)-1-piperazinyl]propyl}-2-p henyl-7-methyl-1,2,3,4-tetrahydropyrido[3,4-d]pyri dazine","","","","","","","","","","","","","","","","","","","","5-Methoxy-3-{3-[4-(4-chlorophenyl)-1-piperazinyl]propyl}...","","CC1=CC2=C(C(=N1)OC)C(=O)N(N(C2=O)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=C(C=C5)Cl","SRMXBCRZYPXXET-UHFFFAOYSA-N","24206051",NA,"PDBC26669","737790","Present"
-"5-Methoxy-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","monomethyl glutarate","","COC(=O)CCCC(=O)O","IBMRTYCHDPMBFN-UHFFFAOYSA-N","73917",NA,"PDBC26670","93807","Present"
-"5-Methoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","1,3-benzodioxole, 5-methoxy-6-[1-(4-methoxyphenyl)ethyl]-","","CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2OC)OCO3","NBIHTBVOSDHTJS-UHFFFAOYSA-N","72564",NA,"PDBC26671","350102","Present"
-"5-Methoxy-6-[5-methoxy-2,3-bis(4-methoxyphenyl)benzofuran-6-yl]-2,3-bis(4-methoxyphenyl)benzofuran","","","","","","","","","","","","","","","","","","","","5-Methoxy-6-[5-methoxy-2,3-bis(4-methoxyphenyl)benzofuran-6-yl]-2,3-bis(4-methoxyphenyl)benzofuran","","COC1=CC=C(C=C1)C2=C(OC3=CC(=C(C=C32)OC)C4=C(C=C5C(=C4)OC(=C5C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OC)C8=CC=C(C=C8)OC","XAQLNJIPQIGYHU-UHFFFAOYSA-N","378129",NA,"PDBC26672","659933","Present"
-"5-Methoxy-6-methyl-pyrido[3,2-a]phenazin-1-ol","","","","","","","","","","","","","","","","","","","","5-Methoxy-6-methyl-pyrido[3,2-a]phenazin-1-ol","","CC1=C(C2=NC=CC(=O)C2=C3C1=NC4=CC=CC=C4N3)OC","QLYVSONKHGZXCT-UHFFFAOYSA-N","389066",NA,"PDBC26673","684705","Present"
-"5-Methoxy-8-methyl-3,6-dihydroimidazo[4,5-e]indol-2(1H)-one","","","","","","","","","","","","","","","","","","","","5-Methoxy-8-methyl-3,6-dihydroimidazo[4,5-e]indol-2(1H)-one","","CC1=CNC2=C(C=C3C(=C12)NC(=O)N3)OC","DHPLWLFEGNWGHF-UHFFFAOYSA-N","393319",NA,"PDBC26674","694984","Present"
-"5-Methoxy-8-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one","","","","","","","","","","","","","","","","","","","","5-Methoxy-8-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one","","COC1=C2C3=C(C(=O)NCC3)NC2=C(C=C1)C4=CC=CC=C4","KZAABYCKQZQXOI-UHFFFAOYSA-N","363210",NA,"PDBC26675","627883","Present"
-"5-Methoxy-9h-quino[4,3,2-de][1,10]phenanthrolin-9-one","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 5-methoxy-","","COC1=CC2=C3C=CN=C4C3=C(C(=O)C5=C4N=CC=C5)N=C2C=C1","LSUJEFUOJJOYDR-UHFFFAOYSA-N","388732",NA,"PDBC26676","683785","Present"
-"5-Methoxy-N,N-dimethyl-2-isoxazolidinamine","","","","","","","","","","","","","","","","","","","","5-Methoxy-N,N-dimethyl-2-isoxazolidinamine","","CN(C)N1CCC(O1)OC","LBTHWSGMPQTSGM-UHFFFAOYSA-N","393286",NA,"PDBC26677","694951","Present"
-"5-Methoxy-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-methoxy-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylen...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C4=CC5=C(N4)C=CC(=C5)OC","DAUCUNPWRPIBQZ-LYIDXHOBSA-N","118245695",NA,"PDBC26678","785224","Present"
-"5-Methoxyspiro[1,2,3,8b-tetrahydrobiphenylene-4,2'-1,3-dioxane]-4a-ol","","","","","","","","","","","","","","","","","","","","5-methoxyspiro[1,2,3,8b-tetrahydrobiphenylene-4,2'-1,3-dioxane]-4a-ol","","COC1=CC=CC2=C1C3(C2CCCC34OCCCO4)O","NEAGRBNXXQPCDX-UHFFFAOYSA-N","375533",NA,"PDBC26679","655312","Present"
-"5-Methoxysterigmatocystin","","","","","","","","","","","","","","","","","","","","5-ms","","COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC","VVRUNWFPOWIBDY-WPCRTTGESA-N","5351257",NA,"PDBC26680","178249","Present"
-"5-Methyl-1,10-phenanthroline","","","","","","","","","","","","","","","","","","","","5-methylphenanthroline","","CC1=CC2=C(C3=C1C=CC=N3)N=CC=C2","UJAQYOZROIFQHO-UHFFFAOYSA-N","72791",NA,"PDBC26681","4272","Present"
-"5-Methyl-1,3-bis[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrimidine-2,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Methyl-1,3-bis[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrimidine-2,4-dione;hydrochloride","","CC1=CN(C(=O)N(C1=O)CC2=CC(=CC=C2)C3=NCCCN3)CC4=CC(=CC=C4)C5=NCCCN5.Cl","SDWLLFRLDIVRRL-UHFFFAOYSA-N","396429",NA,"PDBC26682","702405","Present"
-"5-Methyl-1,5-dihydro-4H-imidazo[4,5-d]pyridazine-4-thione","","","","","","","","","","","","","","","","","","","","5-Methyl-1,5-dihydro-4H-imidazo[4,5-d]pyridazine-4-thione","","CN1C(=S)C2=C(C=N1)NC=N2","GYOIUZHILFZIEB-UHFFFAOYSA-N","135441811",NA,"PDBC26683","690586","Present"
-"5-Methyl-1,6-diazacycloundecane-2,7-dione","","","","","","","","","","","","","","","","","","","","5-Methyl-1,6-diazacycloundecane-2,7-dione","","CC1CCC(=O)NCCCCC(=O)N1","MPKAZGOWSJJXAK-UHFFFAOYSA-N","374025",NA,"PDBC26684","651204","Present"
-"5-Methyl-1,8-naphthyridin-2-amine","","","","","","","","","","","","","","","","","","","","SESKCZPDDQIHMO-UHFFFAOYSA-N","","CC1=C2C=CC(=NC2=NC=C1)N","SESKCZPDDQIHMO-UHFFFAOYSA-N","387090",NA,"PDBC26685","680481","Present"
-"5-Methyl-1-((2-propynyloxy)methyl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","5-Methyl-1-((2-propynyloxy)methyl)-2,4(1H,3H)-pyrimidinedione","","CC1=CN(C(=O)NC1=O)COCC#C","SXUKYUZVYLKUJJ-UHFFFAOYSA-N","376607",NA,"PDBC26686","657618","Present"
-"5-Methyl-1-(6-methyl-5-oxo-2H-pyran-2-yl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","1-(2,3,6-Trideoxy-.alpha.-L-glycero-hex-2-enopyranos-4- ...","","CC1C(=O)C=CC(O1)N2C=C(C(=O)NC2=O)C","QPYYQASWHIBPQN-UHFFFAOYSA-N","368304",NA,"PDBC26687","638852","Present"
-"5-Methyl-1-(trifluoromethyl)-2H-pyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","5-Methyl-1-(trifluoromethyl)-2H-pyrido[4,3-b]carbazole","","CC1=C2C=CNC(=C2C=C3C1=NC4=CC=CC=C43)C(F)(F)F","VVEWUKRAWIOEGT-UHFFFAOYSA-N","279769",NA,"PDBC26688","131039","Present"
-"5-Methyl-1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]pyrimidine-2,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Methyl-1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]pyrimidine-2,4-dione;hydrochloride","","CC1=CN(C(=O)NC1=O)CCCC2=NCCCN2.Cl","ACTOMBXQWRMUQX-UHFFFAOYSA-N","396431",NA,"PDBC26689","702406","Present"
-"5-Methyl-1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)butyl]pyrimidine-2,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Methyl-1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)butyl]pyrimidine-2,4-dione hydrochloride","","CC1=CN(C(=O)NC1=O)CCCCC2=NCCCN2.Cl","NYJXXLOIOMOSJA-UHFFFAOYSA-N","396437",NA,"PDBC26690","702409","Present"
-"5-Methyl-1-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)hexyl]pyrimidine-2,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Methyl-1-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)hexyl]pyrimidine-2,4-dione hydrochloride","","CC1=CN(C(=O)NC1=O)CCCCCCC2=NCCCN2.Cl","SNRBFIPAPLAFCM-UHFFFAOYSA-N","396433",NA,"PDBC26691","702407","Present"
-"5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carbohydrazide","","CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)NN","ZPJSUTAAQIVPKK-UHFFFAOYSA-N","24205549",NA,"PDBC26692","736148","Present"
-"5-Methyl-1-[[4-methylidene-5-oxo-2-(4-phenylphenyl)oxolan-2-yl]methyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-Methyl-1-[[4-methylene-5-oxo-2-(4-phenylphenyl)tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)CC2(CC(=C)C(=O)O2)C3=CC=C(C=C3)C4=CC=CC=C4","VJKKFWROBSMCSZ-UHFFFAOYSA-N","381502",NA,"PDBC26693","668258","Present"
-"5-Methyl-1-phenyl-1lambda5-phosphocane 1-oxide","","","","","","","","","","","","","","","","","","","","5-Methyl-1-phenyl-1lambda5-phosphocane 1-oxide","","CC1CCCP(=O)(CCC1)C2=CC=CC=C2","VOPHGYBVMMWOPG-UHFFFAOYSA-N","357564",NA,"PDBC26694","617048","Present"
-"5-Methyl-1-phenyl-6H-pyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","5-Methyl-1-phenyl-6H-pyrido[4,3-b]carbazole","","CC1=C2C(=CC3=C1C=CN=C3C4=CC=CC=C4)C5=CC=CC=C5N2","ORUPXFHZHTYMFL-UHFFFAOYSA-N","258058",NA,"PDBC26695","86715","Present"
-"5-Methyl-11-phenyl-benzo[d][1,3,6,2]benzodioxazaborocine","","","","","","","","","","","","","","","","","","","","5-Methyl-11-phenyl-benzo[d][1,3,6,2]benzodioxazaborocine","","","","",NA,"PDBC26696","626174","Present"
-"5-Methyl-1H-indole-2,3-dione 3-({2-nitrophenyl}hydrazone)","","","","","","","","","","","","","","","","","","","","Indole-2,3-dione, 5-methyl-, 3-[(o-nitrophenyl)hydrazone]","","CC1=CC2=C(C=C1)NC(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O","BMIMIWYZSBQQJU-UHFFFAOYSA-N","3632950",NA,"PDBC26697","117915","Present"
-"5-Methyl-2,2-bis(3-nitrophenyl)-3,4-diazabicyclo[3.1.0]hex-3-ene","","","","","","","","","","","","","","","","","","","","5-Methyl-2,2-bis(3-nitrophenyl)-3,4-diazabicyclo[3.1.0]hex-3-ene","","CC12CC1C(N=N2)(C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]","BMUYEZQNLCZIIN-UHFFFAOYSA-N","392964",NA,"PDBC26698","694178","Present"
-"5-Methyl-2,3,8,9,10,11-hexahydro[1]benzothieno[3,2-e]imidazo[1,2-c]pyrimidine","","","","","","","","","","","","","","","","","","","","7-Methyl-10-thia-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene","","CC1=NC2=C(C3=C(S2)CCCC3)C4=NCCN14","XPWBHDPRISKPTP-UHFFFAOYSA-N","386696",NA,"PDBC26699","679226","Present"
-"5-Methyl-2-(2-methyl-6-nitro-anilino)thiophene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Methyl-2-(2-methyl-6-nitro-anilino)thiophene-3-carbonitrile","","CC1=C(C(=CC=C1)[N+](=O)[O-])NC2=C(C=C(S2)C)C#N","ITVDBRUIOXMNOZ-UHFFFAOYSA-N","395465",NA,"PDBC26700","700028","Present"
-"5-Methyl-2-(3-phenoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-Methyl-2-(3-phenoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one","","CC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)CCC4=CC=CS4","OGDDECPVJCPPRZ-UHFFFAOYSA-N","60147818",NA,"PDBC26701","752474","Present"
-"5-Methyl-2-(4-chlorophenyl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(4-Chlorophenyl)-5-methyl-1,8-naphthyridin-4(1h)-one","","CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=C(C=C3)Cl","CDDBFXDYCBYDPU-UHFFFAOYSA-N","386582",NA,"PDBC26702","679030","Present"
-"5-Methyl-2-(4-methyl-2-nitro-anilino)thiophene-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Methyl-2-(4-methyl-2-nitro-anilino)thiophene-3-carbonitrile","","CC1=CC(=C(C=C1)NC2=C(C=C(S2)C)C#N)[N+](=O)[O-]","YGDGUDUBRJZFGJ-UHFFFAOYSA-N","395463",NA,"PDBC26703","700026","Present"
-"5-Methyl-2-(4-methylbenzyl)-2-indanecarboxylic acid","","","","","","","","","","","","","","","","","","","","5-Methyl-2-(4-methylbenzyl)-2-indanecarboxylic acid","","CC1=CC=C(C=C1)CC2(CC3=C(C2)C=C(C=C3)C)C(=O)O","BUOGLLQOXSAMNO-UHFFFAOYSA-N","382696",NA,"PDBC26704","670344","Present"
-"5-Methyl-2-(4-methylphenoxy)aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC624230","","CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C)N.Cl","TYHPDWJVYOUNOK-UHFFFAOYSA-N","361288",NA,"PDBC26705","624230","Present"
-"5-Methyl-2-(4-morpholinyl)-3-phenyl-2,3-dihydro-1H-pyrrole-1,3-diol","","","","","","","","","","","","","","","","","","","","5-Methyl-2-(4-morpholinyl)-3-phenyl-2,3-dihydro-1H-pyrrole-1,3-diol","","CC1=CC(C(N1O)N2CCOCC2)(C3=CC=CC=C3)O","SZIUSUCCZLAWGO-UHFFFAOYSA-N","382417",NA,"PDBC26706","669980","Present"
-"5-Methyl-2-(4-nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","5-Methyl-2-(4-nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one","","CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]","QFLXXONRCKVUHA-UHFFFAOYSA-N","393174",NA,"PDBC26707","694628","Present"
-"5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one","","","","","","","","","","","","","","","","","","","","5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one","","CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4","RGPSDCPHLKBKFX-UHFFFAOYSA-N","393165",NA,"PDBC26708","694619","Present"
-"5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide","","CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4","PBPURYZVOPKVSY-UHFFFAOYSA-N","393176",NA,"PDBC26709","694630","Present"
-"5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile","","","","","","","","","","","","","","","","","","","","J7X181M78Y","","CC1=CC(=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C#N","NPXUFPFFHANGDL-UHFFFAOYSA-N","395460",NA,"PDBC26710","700023","Present"
-"5-Methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-[(E)-naphthalen-1-ylmethylideneamino]-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","5-Methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-[(E)-naphthalen-1-ylmethylideneamino]-1,2,4-triazole-3-thione","","CC1=NN(C(=S)N1N=CC2=CC=CC3=CC=CC=C32)CN4CCN(CC4)C","GFCNOHCFLCQLHD-KGENOOAVSA-N","24205548",NA,"PDBC26711","736147","Present"
-"5-Methyl-2-[(E)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","5-Methyl-2-[(E)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid","","CC1=CC(=C(C=C1)C=C2CC3=CC=CC(=C3C2=O)C)C(=O)O","HDSNSLZJRGNYNJ-OQLLNIDSSA-N","5876837",NA,"PDBC26712","678361","Present"
-"5-Methyl-2-[3-[[4-[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Methyl-2-[3-[[4-[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride","","CC1CN=C(N1)C2=CC(=CC=C2)OCC3=CC=C(C=C3)COC4=CC=CC(=C4)C5=NCC(N5)C.Cl","DUPMCMLFRARUGK-UHFFFAOYSA-N","400409",NA,"PDBC26713","711987","Present"
-"5-Methyl-2-[4-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Methyl-2-[4-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride","","CC1CN=C(N1)C2=CC=C(C=C2)COC3=CC=C(C=C3)C4=NCC(N4)C.Cl","HVYAPYAEMJDRIX-UHFFFAOYSA-N","400407",NA,"PDBC26714","711986","Present"
-"5-Methyl-2-[6'-deoxy-(2',4'-tri-O-benzyl-alfa-D-metylglic opiranoside)]-1,3,4-oxadiazole","","","","","","","","","","","","","","","","","","","","5-Methyl-2-[6'-deoxy-(2',3',4'-tri-O-benzyl-alfa-D-metyl...","","CC1=NN=C(O1)CC2C(C(C(C(O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","WLJIFADKSGKIQS-UHFFFAOYSA-N","405716",NA,"PDBC26715","723171","Present"
-"5-Methyl-2-[7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-9H-fluoren-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Methyl-2-[7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-9H-fluoren-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride","","CC1CN=C(N1)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)C5=NCC(N5)C.Cl","XCZCVNKOPMFHCY-UHFFFAOYSA-N","399685",NA,"PDBC26716","710604","Present"
-"5-Methyl-2-benzylimino-1,3-thiazolidine","","","","","","","","","","","","","","","","","","","","ChemDiv2_000249","","CC1CN=C(S1)NCC2=CC=CC=C2","TUSOLQRZIXORLP-UHFFFAOYSA-N","383596",NA,"PDBC26717","672014","Present"
-"5-Methyl-2-phenyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","5-Methyl-2-phenyl-1,8-naphthyridin-4(1H)-one","","CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC=C3","WGNSONPPEWQOMA-UHFFFAOYSA-N","377426",NA,"PDBC26718","658869","Present"
-"5-Methyl-2-phenyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-Methyl-2-phenyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one","","CC1C(=O)N(C(S1)C2=CC=CC=C2)CCC3=CC=CS3","GVNMTGIPILZCDH-UHFFFAOYSA-N","60147815",NA,"PDBC26719","752471","Present"
-"5-Methyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-Methyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","ZTXBFFRIMLSCDV-UHFFFAOYSA-N","362441",NA,"PDBC26720","626390","Present"
-"5-Methyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-Methyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5","STDMHHFEFLFPDE-UHFFFAOYSA-N","362434",NA,"PDBC26721","626383","Present"
-"5-Methyl-2-phenylimino-1,3-thiazolidine","","","","","","","","","","","","","","","","","","","","Maybridge1_002244","","CC1CN=C(S1)NC2=CC=CC=C2","QQURMDYWWNVZAF-UHFFFAOYSA-N","383595",NA,"PDBC26722","672013","Present"
-"5-Methyl-2-phenyloxazole","","","","","","","","","","","","","","","","","","","","FCH864483","","CC1=CN=C(O1)C2=CC=CC=C2","MULZWPFQTUDZPD-UHFFFAOYSA-N","247829",NA,"PDBC26723","619205","Present"
-"5-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","5-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone","","CC1=CC2=C(C=C1)N=C(C=C2C)NN=CC3=CC=C(S3)C","KDXMRFQQIWZUIY-VCHYOVAHSA-N","9556286",NA,"PDBC26724","683919","Present"
-"5-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","5-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone","","CC1=C2C(=CC=C1)C(=CC(=N2)NN=CC3=CC=C(S3)C)C","FBDVYMUXPCSYIP-VCHYOVAHSA-N","9556287",NA,"PDBC26725","683920","Present"
-"5-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","AB01329105-02","","CC1=CC=C(S1)C=NNC2=NC3=CC=CC=C3C(=C2)C","SZDNAIARPOBGAJ-LICLKQGHSA-N","9556285",NA,"PDBC26726","683918","Present"
-"5-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","5-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone","","CC1=CC=C(S1)C=NNC2=NC3=C(C=C(C=C3)OC)C(=C2)C","FVLSZGOTTZCLEG-VCHYOVAHSA-N","9556288",NA,"PDBC26727","683921","Present"
-"5-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","5-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone","","CC1=CC=C(S1)C=NNC2=NC3=C(C=CC(=C3)OC)C(=C2)C","VVHZVOCKIDIYIJ-VCHYOVAHSA-N","9556289",NA,"PDBC26728","683922","Present"
-"5-Methyl-2-thiophenecarbaldehyde 1,3-benzothiazol-2-ylhydrazone","","","","","","","","","","","","","","","","","","","","5-Methyl-2-thiophenecarbaldehyde 1,3-benzothiazol-2-ylhydrazone","","CC1=CC=C(S1)C=NNC2=NC3=CC=CC=C3S2","PROQIBHESKWZBX-RIYZIHGNSA-N","9556282",NA,"PDBC26729","683915","Present"
-"5-Methyl-2-thiophenecarbaldehyde 1-phthalazinylhydrazone","","","","","","","","","","","","","","","","","","","","5-Methyl-2-thiophenecarbaldehyde 1-phthalazinylhydrazone","","CC1=CC=C(S1)C=NNC2=NN=CC3=CC=CC=C32","RWTOMRNSNXDPFA-CXUHLZMHSA-N","9556283",NA,"PDBC26730","683916","Present"
-"5-Methyl-2-thiophenecarbaldehyde 2-pyrazinylhydrazone","","","","","","","","","","","","","","","","","","","","5-Methyl-2-thiophenecarbaldehyde 2-pyrazinylhydrazone","","CC1=CC=C(S1)C=NNC2=NC=CN=C2","SUGRSOCDWSQXTJ-AWNIVKPZSA-N","9556281",NA,"PDBC26731","683914","Present"
-"5-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone","","","","","","","","","","","","","","","","","","","","5-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone","","CC1=CC=C(S1)C=NNC2=CC=CC=N2","FIUOGEOQFLPJCI-MDWZMJQESA-N","9556279",NA,"PDBC26732","683912","Present"
-"5-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone","","","","","","","","","","","","","","","","","","","","5-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone","","CC1=CC=C(S1)C=NNC2=NC=CC=N2","PXOAHDPJJGMMCC-NTUHNPAUSA-N","9556280",NA,"PDBC26733","683913","Present"
-"5-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone","","","","","","","","","","","","","","","","","","","","AB01321011-02","","CC1=CC=C(S1)C=NNC2=NC3=CC=CC=C3C=C2","LLUZDLQWFNLXAP-MHWRWJLKSA-N","9556284",NA,"PDBC26734","683917","Present"
-"5-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone","","","","","","","","","","","","","","","","","","","","5-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone","","CC1=CC=C(S1)C=NNC2=NCCN2","PCPIXSRMKGPMEL-WUXMJOGZSA-N","9556278",NA,"PDBC26735","683911","Present"
-"5-Methyl-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide","","","","","","","","","","","","","","","","","","","","5-methyl-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide","","CC1=CC(=C(C=C1)NC(=O)C=CC2=CC=CC=C2)C(=O)N","OQFPJSWMWKUZON-CSKARUKUSA-N","53329052",NA,"PDBC26736","748147","Present"
-"5-Methyl-3,10,11-triaza-11H-benzo[b]fluorene","","","","","","","","","","","","","","","","","","","","5H-Pyrido[3',4':4,5]pyrrolo[2,3-b]quinoline, 11-methyl","","CC1=C2C3=C(C=CN=C3)NC2=NC4=CC=CC=C14","JBYMKEBMCKBUKP-UHFFFAOYSA-N","5472897",NA,"PDBC26737","722422","Present"
-"5-Methyl-3,5-diphenyl-4,5-dihydroisoxazole","","","","","","","","","","","","","","","","","","","","5-Methyl-3,5-diphenyl-4,5-dihydroisoxazole","","CC1(CC(=NO1)C2=CC=CC=C2)C3=CC=CC=C3","LSLHDHRGDNWNDN-UHFFFAOYSA-N","368754",NA,"PDBC26738","639908","Present"
-"5-Methyl-3,7,10,11-tetraaza-11H-benzo[b]fluorene","","","","","","","","","","","","","","","","","","","","5H-Pyrido[3',4':4,5]pyrrolo[2,3-b][1,6]naphthyridine, 11...","","CC1=C2C=NC=CC2=NC3=C1C4=C(N3)C=CN=C4","GDVZVLLPMMOFLN-UHFFFAOYSA-N","5472898",NA,"PDBC26739","722423","Present"
-"5-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","5-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one","","CC1=CC2=C(C=C1)C(=O)OC2C3=CC=CC4=CC=CC=C43","LOUQMLNYAOBMLV-UHFFFAOYSA-N","362085",NA,"PDBC26740","625608","Present"
-"5-Methyl-3-(3-nitrophenyl)-5-phenyl-4H-isoxazole","","","","","","","","","","","","","","","","","","","","5-Methyl-3-(3-nitrophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole","","CC1(CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3","OQPBEHCWTUHRJG-UHFFFAOYSA-N","368749",NA,"PDBC26741","639903","Present"
-"5-Methyl-3-(4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","5-Methyl-3-(4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","CC1=CC2=C(C=C1)C(=O)OC2C3CC4=C(C=CC=C4C3=O)C","FSFQKEQXWGVJHW-UHFFFAOYSA-N","385676",NA,"PDBC26742","677022","Present"
-"5-Methyl-3-(7-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","5-Methyl-3-(7-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","CC1=CC2=C(C=C1)C(=O)OC2C3CC4=CC=CC(=C4C3=O)C","OSURRXSQPWVEJI-UHFFFAOYSA-N","385685",NA,"PDBC26743","677031","Present"
-"5-Methyl-3-(palmitoyloxy)-5-phenyl-2,4-imidazolidinedithione","","","","","","","","","","","","","","","","","","","","5-Methyl-3-(palmitoyloxy)-5-phenyl-2,4-imidazolidinedithione","","CCCCCCCCCCCCCCCC(=O)ON1C(=S)C(NC1=S)(C)C2=CC=CC=C2","KRRGUCFOEOGFPW-UHFFFAOYSA-N","3005240",NA,"PDBC26744","685457","Present"
-"5-Methyl-3-[3-(trifluoromethyl)phenyl]-1,3,5-thiadiazinane-2-thione","","","","","","","","","","","","","","","","","","","","5-Methyl-3-[3-(trifluoromethyl)phenyl]-1,3,5-thiadiazinane-2-thione","","CN1CN(C(=S)SC1)C2=CC=CC(=C2)C(F)(F)F","JGRLIJIUCFJVSK-UHFFFAOYSA-N","399776",NA,"PDBC26745","710871","Present"
-"5-Methyl-3-oxido-[1,2,5]oxadiazolo[3,4-c]quinolin-3-ium-4-one","","","","","","","","","","","","","","","","","","","","5-Methyl-4-oxo-oxadiazolo(5,4-c)quinolin-3-N-oxide (furo...","","CN1C2=CC=CC=C2C3=NO[N+](=C3C1=O)[O-]","PWURDIDMPKBPSL-UHFFFAOYSA-N","387475",NA,"PDBC26746","681278","Present"
-"5-Methyl-3-phenyl[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazole-2(3H)-thione","","","","","","","","","","","","","","","","","","","","5-Methyl-3-phenyl[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazole-2(3H)-thione","","CC1=NC2=C(C3=NC4=CC=CC=C4N13)SC(=S)N2C5=CC=CC=C5","XENORUDXDLKIQI-UHFFFAOYSA-N","365513",NA,"PDBC26747","633193","Present"
-"5-Methyl-3-propan-2-yl-2-(propan-2-ylamino)-2,6-dihydropyrimido[5,4-e][1,3]thiazine-4,7-dione","","","","","","","","","","","","","","","","","","","","3-Isopropyl-2-(isopropylamino)-5-methyl-2,6-dihydropyrimido[5,4-e][1,3]thiazine-4,7-dione","","CC1=C2C(=NC(=O)N1)SC(N(C2=O)C(C)C)NC(C)C","NBONINXQIQQNMH-UHFFFAOYSA-N","392191",NA,"PDBC26748","692318","Present"
-"5-Methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-Methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)NC2=O","OLOSNFPZLRYELF-UHFFFAOYSA-N","361385",NA,"PDBC26749","624409","Present"
-"5-Methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","NCIMech_000403","","CC1=C2CCN=CC2=CC3=C1NC4=CC=CC=C43","HEIREDMIGONFIR-UHFFFAOYSA-N","257702",NA,"PDBC26750","86100","Present"
-"5-Methyl-4-nonyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-Methyl-4-nonyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CCCCCCCCCC1C(C2=C(C3C1C(=O)N(C3=O)C4=CC=CC=C4)NC5=CC=CC=C52)C","QHYWGGCZUYFENA-UHFFFAOYSA-N","362918",NA,"PDBC26751","627393","Present"
-"5-Methyl-4-octyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","5-Methyl-4-octyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","CCCCCCCCC1C(C2=C(C3C1C(=O)N(C3=O)C4=CC=CC=C4)NC5=CC=CC=C52)C","QWCYEDXOPGWJIG-UHFFFAOYSA-N","362916",NA,"PDBC26752","627391","Present"
-"5-Methyl-4-oxothieno[2,3-d]pyrimidin-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-Methyl-4-oxothieno[2,3-d]pyrimidin-6-carboxylic acid","","CC1=C(SC2=C1C(=O)NC=N2)C(=O)O","CYNGLBSDKJIAOD-UHFFFAOYSA-N","405802",NA,"PDBC26753","723454","Present"
-"5-Methyl-5,6-dihydro-4H-pyrrolo[1,2-b][1,2,5]benzothiadiazocin-4-one 11,11-dioxide","","","","","","","","","","","","","","","","","","","","9-Methyl-2,2-dioxo-2lambda6-thia-3,9-diazatricyclo[9.4.0.03,7]pentadeca-1(15),4,6,11,13-pentaen-8-one","","CN1CC2=CC=CC=C2S(=O)(=O)N3C=CC=C3C1=O","ZLSMILRMDXQMJC-UHFFFAOYSA-N","393145",NA,"PDBC26754","694558","Present"
-"5-Methyl-5,6-dihydrodibenzo(b,f)azocine","","","","","","","","","","","","","","","","","","","","(11Z)-5-Methyl-6H-benzo[c][1]benzazocine","","CN1CC2=CC=CC=C2C=CC3=CC=CC=C31","IVOFJIIPVDWCEX-KHPPLWFESA-N","5383660",NA,"PDBC26755","179333","Present"
-"5-Methyl-5-(2-phenylmethoxyethyl)imidazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","NSC34506","","CC1(C(=O)NC(=O)N1)CCOCC2=CC=CC=C2","HTCZFYMCCQZEIX-UHFFFAOYSA-N","234514",NA,"PDBC26756","34506","Present"
-"5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","NSC656585","","C[S+]1C2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]","ROHWBLNJJVPWCN-UHFFFAOYSA-M","24202431",NA,"PDBC26757","656585","Present"
-"5-Methyl-6(5h)-phenanthridinone","","","","","","","","","","","","","","","","","","","","ACM4594734","","CN1C2=CC=CC=C2C3=CC=CC=C3C1=O","UWZASNFULUENAC-UHFFFAOYSA-N","285022",NA,"PDBC26758","141586","Present"
-"5-Methyl-6-phenyl-2-(2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","5-Methyl-6-phenyl-2-(2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine","","CC1=CCN(OC1C2=CC=CC=C2)C3=CC=CC=N3","AGQPVKZKNMAYHH-UHFFFAOYSA-N","370841",NA,"PDBC26759","644547","Present"
-"5-Methyl-7,7a,8,9-tetrahydro-5H-pyrido[2,3-b]pyrrolo[1,2-d][1,4]diazepine-6,10-dione","","","","","","","","","","","","","","","","","","","","9-Methyl-2,9,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-3,8-dione","","CN1C(=O)CC2CCC(=O)N2C3=C1N=CC=C3","QARUIXZYSAUIAU-UHFFFAOYSA-N","386269",NA,"PDBC26760","678011","Present"
-"5-Methyl-7,8-dihydropyrido[2,3-e]pyrrolo[1,2-a]pyrazine-6,9(5H,6aH)-dione","","","","","","","","","","","","","","","","","","","","8-Methyl-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene-3,7-dione","","CN1C(=O)C2CCC(=O)N2C3=C1N=CC=C3","YREUNLNRDCUJNM-UHFFFAOYSA-N","386267",NA,"PDBC26761","678009","Present"
-"5-Methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)-5-hepten-1-ol","","","","","","","","","","","","","","","","","","","","5-Methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)-5-hepten-1-ol","","CC1=C(C(=C(C(=C1OC)OC)OC)OC)CC=C(C)CCCCO","ZWSIESAPZRNMLS-JLHYYAGUSA-N","5469369",NA,"PDBC26762","687142","Present"
-"5-Methyl-7-[(Z)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol;iodide","","","","","","","","","","","","","","","","","","","","5-Methyl-7-[(Z)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol;iodide","","CC1=CC(=C(C2=C1C=CC=N2)O)C=CC3=[N+](C4=CC=CC=C4C=C3)C.[I-]","DMEJKDJMEXYFBM-UHFFFAOYSA-N","135534469",NA,"PDBC26763","86368","Present"
-"5-Methyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine","","","","","","","","","","","","","","","","","","","","5-Methyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine","","CN1C=C2C(=NC=N2)C(=N1)SC","YSJMHNKVUFPWIV-UHFFFAOYSA-N","391409",NA,"PDBC26764","690582","Present"
-"5-Methyl-7-phenyl-3H-indolizin-4-ium;perchlorate","","","","","","","","","","","","","","","","","","","","5-Methyl-7-phenyl-3H-indolizin-4-ium;perchlorate","","CC1=CC(=CC2=[N+]1CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","FTUKHQPWHQETNG-UHFFFAOYSA-M","13860658",NA,"PDBC26765","622506","Present"
-"5-Methyl-8-(6-methylhept-5-en-2-yl)-3-(piperidin-4-ylmethyl)-2,4-dihydro-1,3-benzoxazine","","","","","","","","","","","","","","","","","","","","5-Methyl-8-(6-methylhept-5-en-2-yl)-3-(piperidin-4-ylmethyl)-2,4-dihydro-1,3-benzoxazine","","CC1=C2CN(COC2=C(C=C1)C(C)CCC=C(C)C)CC3CCNCC3","VZPLMUMQRZOPJJ-UHFFFAOYSA-N","54613303",NA,"PDBC26766","751107","Present"
-"5-Methyl-9-nitro-11-oxo-5,11-dihydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Methyl-9-nitro-11-oxo-5,11-dihydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile","","CN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N","JAQFLNOFBUJPLG-UHFFFAOYSA-N","392509",NA,"PDBC26767","693026","Present"
-"5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-5-ium chloride","","","","","","","","","","","","","","","","","","","","[1,3]Dioxolo[4,5-j]phenanthridinium, 5-methyl-, chloride","","C[N+]1=CC2=CC3=C(C=C2C4=CC=CC=C41)OCO3.[Cl-]","OOPDPMYYWQANBR-UHFFFAOYSA-M","14526905",NA,"PDBC26768","271952","Present"
-"5-Methyl-N,3-bis(5-methylthiazol-2-yl)thiazol-2-imine","","","","","","","","","","","","","","","","","","","","5-Methyl-N,3-bis(5-methylthiazol-2-yl)thiazol-2-imine","","CC1=CN=C(S1)N=C2N(C=C(S2)C)C3=NC=C(S3)C","QPROHXBKLOKNNL-QINSGFPZSA-N","9571431",NA,"PDBC26769","659926","Present"
-"5-Methyl-N-(4-piperidin-1-ylphenyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride","","","","","","","","","","","","","","","","","","","","5-Methyl-N-(4-piperidin-1-ylphenyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride","","C[N+]1=C2C3=CC=CC=C3NC2=C(C4=CC=CC=C41)NC5=CC=C(C=C5)N6CCCCC6.[Cl-]","KKTYQIZMCZOJPP-UHFFFAOYSA-N","51051406",NA,"PDBC26770","748394","Present"
-"5-Methyl-N-(6-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Methyl-N-(6-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide","","CC1CCCCC12N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5","MCEIFMRDBQFCKO-UHFFFAOYSA-N","24205424",NA,"PDBC26771","735518","Present"
-"5-Methyl-N-(7-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Methyl-N-(7-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide","","CC1CCCC2(C1)N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5","KAIPMRPERIKUSK-UHFFFAOYSA-N","24205426",NA,"PDBC26772","735520","Present"
-"5-Methyl-N-[(E)-(4-methylthiophen-2-yl)methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-Methyl-N-[(E)-(4-methylthiophen-2-yl)methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide","","CC1=CSC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C","IVNVUEHTZOKTJJ-YCPBAFNGSA-N","24205551",NA,"PDBC26773","736151","Present"
-"5-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","CC1=CC2=C(C=C1)SC(=N2)NN=C(C)C3=CC=CC=N3","LIWHRJNCBZCQNJ-WOJGMQOQSA-N","9572094",NA,"PDBC26774","703109","Present"
-"5-Methyl-N-phenyl-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-Methyl-N-phenyl-1,3,4-oxadiazol-2-amine","","CC1=NN=C(O1)NC2=CC=CC=C2","SHLMUYASEZEYLV-UHFFFAOYSA-N","379430",NA,"PDBC26775","663975","Present"
-"5-Methyl-N-phenyl-1-(7-(trifluoromethyl)-4-quinolinyl)-1H-1,2,3-triazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-Methyl-N-phenyl-1-(7-(trifluoromethyl)-4-quinolinyl)-1H-1,2,3-triazole-4-carboxamide","","CC1=C(N=NN1C2=C3C=CC(=CC3=NC=C2)C(F)(F)F)C(=O)NC4=CC=CC=C4","LNGAXPDIBURMAO-UHFFFAOYSA-N","387516",NA,"PDBC26776","681327","Present"
-"5-Methyl-N-phenyl-5H-indolo[2,3-B]quinolin-11-amine","","","","","","","","","","","","","","","","","","","","5-Methyl-N-phenyl-5H-indolo[2,3-B]quinolin-11-amine","","CN1C2=CC=CC=C2C(=NC3=CC=CC=C3)C4=C1NC5=CC=CC=C54","TUODYPNSPPCXSX-UHFFFAOYSA-N","135585429",NA,"PDBC26777","727484","Present"
-"5-Methyl-N-piperidin-4-yl-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Methyl-N-piperidin-4-yl-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride;hydrochloride","","C[N+]1=C2C3=CC=CC=C3NC2=C(C4=CC=CC=C41)NC5CCNCC5.Cl.[Cl-]","OKVOKXASFPIVPI-UHFFFAOYSA-N","54612840",NA,"PDBC26778","748392","Present"
-"5-Methylbenzimidazo[1,2-a][1,8]naphthyridin-2-amine","","","","","","","","","","","","","","","","","","","","5-Methylbenzimidazo[1,2-a][1,8]naphthyridin-2-amine","","CC1=CC2=NC3=CC=CC=C3N2C4=C1C=CC(=N4)N","YZMMEEUYSYZYLT-UHFFFAOYSA-N","387362",NA,"PDBC26779","681114","Present"
-"5-Methylbenzimidazo[1,2-a]quinoline","","","","","","","","","","","","","","","","","","","","5-Methylbenzimidazo[1,2-a]quinoline","","CC1=CC2=NC3=CC=CC=C3N2C4=CC=CC=C14","VPBZGPHGDZYQDE-UHFFFAOYSA-N","379119",NA,"PDBC26780","663333","Present"
-"5-Methylbenzo[c]phenanthridin-5-ium-2,3,8,9-tetrol;pyridine;chloride;hydrochloride","","","","","","","","","","","","","","","","","","","","5-Methylbenzo[c]phenanthridin-5-ium-2,3,8,9-tetrol;pyridine;chloride;hydrochloride","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)O)O)O)O.C1=CC=NC=C1.Cl.[Cl-]","NNEFJSLYNXKDOK-UHFFFAOYSA-N","5351258",NA,"PDBC26781","184403","Present"
-"5-Methylcyclohex-2-en-1-ol","","","","","","","","","","","","","","","","","","","","2-Cyclohexen-1-ol, 5-methyl-","","CC1CC=CC(C1)O","RABYZONTKHYCAK-UHFFFAOYSA-N","359231",NA,"PDBC26782","619940","Present"
-"5-Methyldeoxycytidine","","","","","","","","","","","","","","","","","","","","5-Methyl-2'-deoxy-cytidine","","CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O","LUCHPKXVUGJYGU-UHFFFAOYSA-N","1835",NA,"PDBC26783","607302","Present"
-"5-Methylindolo[2,3-b]quinoline","","","","","","","","","","","","","","","","","","","","NEOCRYPTOLEPINE","","CN1C2=CC=CC=C2C=C3C1=NC4=CC=CC=C43","PZIIKMBOSNKNFZ-UHFFFAOYSA-N","390526",NA,"PDBC26784","687967","Present"
-"5-Methylindolo[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","crytosanguinolentine","","CN1C=C2C3=CC=CC=C3N=C2C4=CC=CC=C41","GLYLOCYYFNTVGX-UHFFFAOYSA-N","380925",NA,"PDBC26785","666709","Present"
-"5-Methylsulfanyl-7-(propan-2-ylamino)-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol","","","","","","","","","","","","","","","","","","","","5-Methylsulfanyl-7-(propan-2-ylamino)-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol","","CC(C)NC1=C2C(N3C4=CC=CC=C4N=C3SC2=NC(=N1)SC)O","OWOZJUCMIJUISZ-UHFFFAOYSA-N","399935",NA,"PDBC26786","711087","Present"
-"5-Methylsulfanyl-7-morpholin-4-yl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol","","","","","","","","","","","","","","","","","","","","5-Methylsulfanyl-7-morpholin-4-yl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol","","CSC1=NC(=C2C(N3C4=CC=CC=C4N=C3SC2=N1)O)N5CCOCC5","NVGPQUGITMKGOU-UHFFFAOYSA-N","399931",NA,"PDBC26787","711083","Present"
-"5-Methylsulfanyl-9-oxo-17-thia-4,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene-2-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Methylsulfanyl-9-oxo-17-thia-4,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene-2-carbonitrile","","CSC1=NC=C2C(=N1)C(C3N(C2=O)C4=CC=CC=C4S3)C#N","ZPCRMJZZPNLWGW-UHFFFAOYSA-N","395223",NA,"PDBC26788","699698","Present"
-"5-Morpholino-1,5-diphenyl-pent-1-en-3-one","","","","","","","","","","","","","","","","","","","","5-Morpholino-1,5-diphenyl-pent-1-en-3-one","","C1COCCN1C(CC(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3","YFPFQFKTAUHLTR-VAWYXSNFSA-N","6184372",NA,"PDBC26789","33570","Present"
-"5-Morpholino-5h-chromeno[4,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","5-Morpholino-5h-chromeno[4,3-d]pyrimidin-2-amine","","C1COCCN1C2C3=CN=C(N=C3C4=CC=CC=C4O2)N","QHYDPTNKGCAARJ-UHFFFAOYSA-N","390587",NA,"PDBC26790","688110","Present"
-"5-Mpba","","","","","","","","","","","","","","","","","","","","5-Mpba","","CN1C2=CC=CC=C2N(C(C3=CC=CN31)CC(=O)O)C(=O)C4=CC=C(C=C4)OC","VEGYGKDKQZDMTG-UHFFFAOYSA-N","131456",NA,"PDBC26791","644253","Present"
-"5-N,11-N-Bis(1,3-benzodioxol-5-ylmethyl)pentadecane-5,11-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","5-N,11-N-Bis(1,3-benzodioxol-5-ylmethyl)pentadecane-5,11-diamine;hydrochloride","","CCCCC(CCCCCC(CCCC)NCC1=CC2=C(C=C1)OCO2)NCC3=CC4=C(C=C3)OCO4.Cl","JPMMSGWPIKKAFL-UHFFFAOYSA-N","24183463",NA,"PDBC26792","27413","Present"
-"5-Naphthalen-2-yl-3-(5-naphthalen-2-yloxazol-3-yl)oxazole","","","","","","","","","","","","","","","","","","","","5-Naphthalen-2-yl-3-(5-naphthalen-2-yloxazol-3-yl)oxazole","","C1=CC=C2C=C(C=CC2=C1)C3=CC(=NO3)C4=NOC(=C4)C5=CC6=CC=CC=C6C=C5","MDCYFLAZVPQFHT-UHFFFAOYSA-N","340661",NA,"PDBC26793","371682","Present"
-"5-Nitro-1,1-dioxo-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","5-Nitro-1,1-dioxo-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one","","C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(S3(=O)=O)N=CC(=C4)[N+](=O)[O-]","LCAXHNPQAJQOMI-UHFFFAOYSA-N","394800",NA,"PDBC26794","698602","Present"
-"5-Nitro-1,2,3-tris(p-tolylsulfanyl)benzene","","","","","","","","","","","","","","","","","","","","1,2,3-Tris[(4-methylphenyl)sulfanyl]-5-nitrobenzene","","CC1=CC=C(C=C1)SC2=CC(=CC(=C2SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C)[N+](=O)[O-]","AISGTDDXODBKQW-UHFFFAOYSA-N","371139",NA,"PDBC26795","645140","Present"
-"5-Nitro-1,3,2lambda2-benzodioxastannole","","","","","","","","","","","","","","","","","","","","5-Nitro-1,3,2lambda2-benzodioxastannole","","C1=CC2=C(C=C1[N+](=O)[O-])O[Sn]O2","KMUJSTVXKHPLSD-UHFFFAOYSA-L","16684872",NA,"PDBC26796","634375","Present"
-"5-Nitro-2'-deoxy-5'-uridyl 4-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate","","","","","","","","","","","","","","","","","","","","5-nitro-2'-deoxy-5'-uridyl 4-nitrofurfuryl N-methyl-N-(4...","","CN(CCCCCl)P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)[N+](=O)[O-])O)OCC3=CC=C(O3)[N+](=O)[O-]","BXIMOHZTGMRCKE-UHFFFAOYSA-N","24205572",NA,"PDBC26797","736181","Present"
-"5-Nitro-2-(2-pyridylmethyl)-1H-indazol-3-one","","","","","","","","","","","","","","","","","","","","5-Nitro-2-(2-pyridylmethyl)-1H-indazol-3-one","","C1=CC=NC(=C1)CN2C(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-]","GALGLDSKMWWFJV-UHFFFAOYSA-N","438825",NA,"PDBC26798","675828","Present"
-"5-Nitro-2-(4-nitrophenyl)-1-oxido-indol-1-ium-3-one","","","","","","","","","","","","","","","","","","","","5-nitro-2-(4-nitrophenyl)-1-oxido-indol-1-ium-3-one","","C1=CC(=CC=C1C2=[N+](C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[O-])[N+](=O)[O-]","GJKFKVICLPOMSJ-UHFFFAOYSA-N","362452",NA,"PDBC26799","626399","Present"
-"5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","ACM1772390","","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","XJIPBORERCFIIP-UHFFFAOYSA-N","74495",NA,"PDBC26800","657186","Present"
-"5-Nitro-2-(4-nitrophenyl)isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","5-nitro-2-(4-nitrophenyl)isothiazolo[5,4-b]pyridin-3(2H)...","","C1=CC(=CC=C1N2C(=O)C3=C(S2)N=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","HIFFZHAFMRRMFV-UHFFFAOYSA-N","393164",NA,"PDBC26801","694618","Present"
-"5-Nitro-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","5-Nitro-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one","","C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(S3)N=CC(=C4)[N+](=O)[O-]","TZRHOHNOIZWCNF-UHFFFAOYSA-N","393166",NA,"PDBC26802","694620","Present"
-"5-Nitro-2-[(4-nitrobenzoyl)amino]benzoic acid","","","","","","","","","","","","","","","","","","","","5-Nitro-2-[(4-nitrobenzoyl)amino]benzoic acid","","C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]","XIBQBHVJHOIQIH-UHFFFAOYSA-N","362494",NA,"PDBC26803","626517","Present"
-"5-Nitro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","N-[4-(2-Pyrrolidinoethoxy)phenyl]-3-nitro-1,8-naphthalimide","","C1CCN(C1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]","VIYLUPSCDWSERJ-UHFFFAOYSA-N","386721",NA,"PDBC26804","679264","Present"
-"5-Nitro-2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","5-Nitro-2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzenesulfonic acid","","CC(=NNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O)C2=CC=CC=N2","NQXJJTJTMSOYHA-RQZCQDPDSA-N","5372411",NA,"PDBC26805","354667","Present"
-"5-Nitro-2-p-tolyl-1H-benzoimidazole","","","","","","","","","","","","","","","","","","","","EU-0033453","","CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]","AAMPIRQLXWIYCV-UHFFFAOYSA-N","376349",NA,"PDBC26806","657181","Present"
-"5-Nitro-2-pyrimidin-4-ylsulfanyl-1,3-thiazole","","","","","","","","","","","","","","","","","","","","5-nitro-2-(4-pyrimidylthio)thiazole","","C1=CN=CN=C1SC2=NC=C(S2)[N+](=O)[O-]","SPNKLYOUOJJHBK-UHFFFAOYSA-N","100520",NA,"PDBC26807","311727","Present"
-"5-Nitro-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","5-Nitro-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one","","C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)[N+](=O)[O-])O","SJVVUBXEQRYTIE-UHFFFAOYSA-N","135418376",NA,"PDBC26808","717813","Present"
-"5-Nitro-3-{[(4-nitrophenyl)amino]azamethylene}-1H-benzo[d]azolin-2-one","","","","","","","","","","","","","","","","","","","","5-Nitro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol","","C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]","WEFZNDAKTMXLJH-UHFFFAOYSA-N","4316336",NA,"PDBC26809","649167","Present"
-"5-Nitro-7-phenyl-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol","","","","","","","","","","","","","","","","","","","","5-Nitro-7-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazol-4-one","","C1=CC=C(C=C1)N2N=C3C(=C(C4=NON=C4C3=N2)O)[N+](=O)[O-]","SHOLTNAKNPDSFG-UHFFFAOYSA-N","135409219",NA,"PDBC26810","669454","Present"
-"5-Nitro-N-(pyridin-3-ylmethyl)furan-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-nitro-N-((pyridin-3-yl)methyl)furan-2-carboxamide","","C1=CC(=CN=C1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-]","OBZHOVWNZIVCCZ-UHFFFAOYSA-N","693996",NA,"PDBC26811","752506","Present"
-"5-Nitro-N-phenyl-2-furancarbothioamide","","","","","","","","","","","","","","","","","","","","5-Nitro-N-phenyl-2-furancarbothioamide","","C1=CC=C(C=C1)NC(=S)C2=CC=C(O2)[N+](=O)[O-]","PXGDGKMFVWLDMY-UHFFFAOYSA-N","5471620",NA,"PDBC26812","712206","Present"
-"5-Nitrocinnoline","","","","","","","","","","","","","","","","","","","","5-Nitrocinnoline","","C1=CC2=C(C=CN=N2)C(=C1)[N+](=O)[O-]","CPVUBWULXBRCAQ-UHFFFAOYSA-N","387102",NA,"PDBC26813","680493","Present"
-"5-Nitrofurylmalonic acid diethyl ester","","","","","","","","","","","","","","","","","","","","5-Nitrofurylmalonic acid diethyl ester","","CCOC(=O)C(C1=CC=C(O1)[N+](=O)[O-])C(=O)OCC","WWWZGRQUXUBKDS-UHFFFAOYSA-N","370288",NA,"PDBC26814","643139","Present"
-"5-Nitroisoquinolin-1-amine","","","","","","","","","","","","","","","","","","","","DA-37066","","C1=CC2=C(C=CN=C2N)C(=C1)[N+](=O)[O-]","SRYUOKQAZJCHNX-UHFFFAOYSA-N","386442",NA,"PDBC26815","678410","Present"
-"5-Nitroso-2-phenyl-4,6-pyrimidinediamine","","","","","","","","","","","","","","","","","","","","5-Nitroso-2-phenyl-4,6-pyrimidinediamine","","C1=CC=C(C=C1)C2=NC(=C(C(=N2)N)N=O)N","BECPHSCHRNDJSB-UHFFFAOYSA-N","229087",NA,"PDBC26816","22492","Present"
-"5-Nitrosotropolone","","","","","","","","","","","","","","","","","","","","RCH 108","","C1=CC(=O)C(=CC=C1N=O)O","FYTNKOSUJSUKML-UHFFFAOYSA-N","16807",NA,"PDBC26817","53101","Present"
-"5-Nitrospiro[benzimidazole-2,1'-cyclohexane] 1,3-dioxide","","","","","","","","","","","","","","","","","","","","STK837885","","C1CCC2(CC1)N(C3=C([N+]2=O)C=CC(=C3)[N+](=O)[O-])[O-]","AUYXGRJVKAVYEZ-UHFFFAOYSA-N","379403",NA,"PDBC26818","663945","Present"
-"5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C2=CC=CC=C2[N+](=O)[O-])C(=O)OC(C)C","HKDRAGVOKUHTFA-UHFFFAOYSA-N","382119",NA,"PDBC26819","669512","Present"
-"5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C","INQDEGAFKNEOHH-UHFFFAOYSA-N","382122",NA,"PDBC26820","669515","Present"
-"5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC(C)C","WNRRBZBUCDCTFP-UHFFFAOYSA-N","382116",NA,"PDBC26821","669509","Present"
-"5-O-Benzyl 1-O-methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","5-O-Benzyl 1-O-methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N2C(C3C4C2(CCC4CN3C(=O)OCC5=CC=CC=C5)C(=O)OC)C6=CC=CO6","LMRPPJHTEMLHNA-VAZOZHDGSA-N","401758",NA,"PDBC26822","715488","Present"
-"5-O-Benzyl 1-O-methyl (1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","5-O-Benzyl 1-O-methyl (1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate","","COC(=O)C12CCC3C1C(C(N2)C4=CC=CC=C4)N(C3)C(=O)OCC5=CC=CC=C5","ZEKVLBLTTVYEIN-ROLQDKDTSA-N","401756",NA,"PDBC26823","715486","Present"
-"5-O-Benzyl 1-O-methyl 3-O-(2-trimethylsilylethyl) (1S,3R,4R,7R,10S)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,3,5-tricarboxylate","","","","","","","","","","","","","","","","","","","","5-O-Benzyl 1-O-methyl 3-O-(2-trimethylsilylethyl) (1S,3R,4R,7R,10S)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,3,5-tricarboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N2C(C3C4C2(CCC4CN3C(=O)OCC5=CC=CC=C5)C(=O)OC)C(=O)OCC[Si](C)(C)C","SICXILQJPSVDQZ-PRIXWLSHSA-N","401759",NA,"PDBC26824","715489","Present"
-"5-O-Methyl 1,3,4-tetrakis(p-tolyl)-7-thiabicyclo[2.2.1]hept-en-5-carb oxylate S-oxide","","","","","","","","","","","","","","","","","","","","5-O-Methyl 1,2,3,4-tetrakis(p-tolyl)-7-thiabicyclo[2.2.1...","","CC1=CC=C(C=C1)C2=C(C3(C(CC2(S3=O)C4=CC=C(C=C4)C)C(=O)OC)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C","SUUHTUUSDRWXBW-UHFFFAOYSA-N","24205269",NA,"PDBC26825","734875","Present"
-"5-O-Methyl 2,4-diphenyl-7-oxobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","5-O-Methyl 2,3-Bis(p-anisyl)-1,4-diphenyl-7-oxobicyclo[2...","","COC1=CC=C(C=C1)C2=C(C3(C(C(C2(C3=O)C4=CC=CC=C4)C(=O)O)C(=O)OC)C5=CC=CC=C5)C6=CC=C(C=C6)OC","BMRFFRLVQHWZQA-UHFFFAOYSA-N","24205204",NA,"PDBC26826","734599","Present"
-"5-Oxa-8-thiaspiro[3.4]octane-2-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Oxa-8-thiaspiro[3.4]octane-2-carbonitrile","","C1CSC2(O1)CC(C2)C#N","KOJQBTJIEPIWHG-UHFFFAOYSA-N","363700",NA,"PDBC26827","628815","Present"
-"5-Oxido-6-phenylquinolino[4,3-b]quinoxalin-5-ium","","","","","","","","","","","","","","","","","","","","5-Oxido-6-phenylquinolino[4,3-b]quinoxalin-5-ium","","C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C4=NC5=CC=CC=C5N=C42)[O-]","DIIGJFPJBOJUOU-UHFFFAOYSA-N","467007",NA,"PDBC26828","643439","Present"
-"5-Oxo-1,2-dihydrospiro[1-benzazocine-6(5H),2'-[1,3]dioxolane]-1-carboxylic acid tert-butyl ester","","","","","","","","","","","","","","","","","","","","Tert-butyl (3'Z)-5'-oxospiro[1,3-dioxolane-2,6'-2H-1-benzazocine]-1'-carboxylate","","CC(C)(C)OC(=O)N1CC=CC(=O)C2(C3=CC=CC=C31)OCCO2","FGIBCDXJXHEMSJ-TWGQIWQCSA-N","5471993",NA,"PDBC26829","715803","Present"
-"5-Oxo-1-(phenylsulfonyl)-2-pyrrolidinecarbohydrazide","","","","","","","","","","","","","","","","","","","","5-Oxo-1-(phenylsulfonyl)-2-pyrrolidinecarbohydrazide","","C1CC(=O)N(C1C(=O)NN)S(=O)(=O)C2=CC=CC=C2","TWTGJAXHMXRHLZ-UHFFFAOYSA-N","370899",NA,"PDBC26830","644634","Present"
-"5-Oxo-1-[2-(2,4,5-trichlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-Oxo-1-[2-(2,4,5-trichlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid","","C1CC(=O)N(C1C(=O)O)C(=O)COC2=CC(=C(C=C2Cl)Cl)Cl","HSCZFFQXGSYZNB-UHFFFAOYSA-N","367290",NA,"PDBC26831","636838","Present"
-"5-Oxo-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-Oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid","","C1=CN2C(=O)C(=CN=C2N1)C(=O)O","DTXAFRQZYWEOTI-UHFFFAOYSA-N","377284",NA,"PDBC26832","658537","Present"
-"5-Oxo-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-Oxo-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene-1-carboxylic acid","","C1CC2=CC3=C(CCC3C(=O)O)C=C2C(=O)C1","PQHBNWIRMTXQRX-UHFFFAOYSA-N","380773",NA,"PDBC26833","666483","Present"
-"5-Oxo-2,5-dihydro-1H-pyrazole-3-carbohydrazide","","","","","","","","","","","","","","","","","","","","5-Oxo-1,2-dihydropyrazole-3-carbohydrazide","","C1=C(NNC1=O)C(=O)NN","PWSVEASVCVGZOP-UHFFFAOYSA-N","387076",NA,"PDBC26834","680466","Present"
-"5-Oxo-5-(1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinolin-6-yl)pentanoic acid","","","","","","","","","","","","","","","","","","","","5-Oxo-5-(1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinolin-6-yl)pentanoic acid","","COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3C(=O)CCCC(=O)O","NBQBKQUTUYIBKR-UHFFFAOYSA-N","374226",NA,"PDBC26835","651716","Present"
-"5-Oxo-5-[[[1,4-dioxo-3-(4-methoxyanilino)-1,4-dihydronaphthalen]-2-yl]amino]pentanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 5-({3-[(4-methoxyphenyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}amino)-5-oxopentanoate","","COC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)CCCC(=O)OC","ZNZFKMZARSPJHS-UHFFFAOYSA-N","382883",NA,"PDBC26836","670760","Present"
-"5-Oxo-5-[[[1,4-dioxo-3-(benzylamino)-1,4-dihydronaphthalen]-2-yl]amino]pentanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 5-{[3-(benzylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}-5-oxopentanoate","","COC(=O)CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3","RPRMFTBLDONUBD-UHFFFAOYSA-N","382879",NA,"PDBC26837","670756","Present"
-"5-Oxo-5-[[[1,4-dioxo-3-anilino-1,4-dihydronaphthalen]-2-yl]amino]pentanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 5-{[1,4-dioxo-3-(phenylamino)-1,4-dihydronaphthalen-2-yl]amino}-5-oxopentanoate","","COC(=O)CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=CC=C3","XUCJQFOCPANOLH-UHFFFAOYSA-N","382881",NA,"PDBC26838","670758","Present"
-"5-Oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","Maybridge1_006997","","C1=CC=C2C(=C1)C(=O)C(=C3N2C4=CC=CC=C4N3)C#N","MFUDWLYZGFUXJX-UHFFFAOYSA-N","391671",NA,"PDBC26839","691213","Present"
-"5-Oxospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-sulfonic acid","","","","","","","","","","","","","","","","","","","","5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-sulfonic acid","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)S(=O)(=O)O","HQRUTGWZIQKPRF-UHFFFAOYSA-N","135409127",NA,"PDBC26840","658722","Present"
-"5-Pentadecyl-1,2-dihydro-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","5-Pentadecyl-1,2-dihydro-1,2,4-triazole-3-thione","","CCCCCCCCCCCCCCCC1=NC(=S)NN1","ACQQIHOEBHDCOE-UHFFFAOYSA-N","3624429",NA,"PDBC26841","635565","Present"
-"5-Pentyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione","","","","","","","","","","","","","","","","","","","","5-Pentyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione","","CCCCCN1C2=CC=CC=C2C3=C(C1=O)C(=O)NN3","GHDDKDOMDBFAJB-UHFFFAOYSA-N","385049",NA,"PDBC26842","675970","Present"
-"5-Phenoxysulfonyl-1-methyl-4-nitroimidazole","","","","","","","","","","","","","","","","","","","","5-Phenoxysulfonyl-1-methyl-4-nitroimidazole","","CN1C=NC(=C1S(=O)(=O)OC2=CC=CC=C2)[N+](=O)[O-]","UFAZASYMNCMYTC-UHFFFAOYSA-N","81400",NA,"PDBC26843","38087","Present"
-"5-Phenyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-5-ol","","","","","","","","","","","","","","","","","","","","5-Phenyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-5-ol","","C1CN2C(=N1)NC3=CC=CC=C3C2(C4=CC=CC=C4)O","FBGWKMHLBSARIC-UHFFFAOYSA-N","336607",NA,"PDBC26844","351520","Present"
-"5-Phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-2-one","","","","","","","","","","","","","","","","","","","","5-[Phenyl]-1H-pyrido[3,4-e]-1,4-diazepin-2(3H)-one","","C1C(=O)NC2=C(C=CN=C2)C(=N1)C3=CC=CC=C3","YJDPDOHWYXRWEN-UHFFFAOYSA-N","360115",NA,"PDBC26845","621969","Present"
-"5-Phenyl-2,3-bis(2-thienyl)furan","","","","","","","","","","","","","","","","","","","","5-Phenyl-2,3-di(2-thienyl)furan","","C1=CC=C(C=C1)C2=CC(=C(O2)C3=CC=CS3)C4=CC=CS4","LNKIZXQZOYPFPS-UHFFFAOYSA-N","395547",NA,"PDBC26846","700240","Present"
-"5-Phenyl-2,3-bis(2-thienyl)thiophene","","","","","","","","","","","","","","","","","","","","5-Phenyl-2,3-bis(2-thienyl)thiophene","","C1=CC=C(C=C1)C2=CC(=C(S2)C3=CC=CS3)C4=CC=CS4","QAEJTKNMMHNLBM-UHFFFAOYSA-N","395510",NA,"PDBC26847","700200","Present"
-"5-Phenyl-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","5-Phenyl-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine","","C1CCC2=C(C1)C(=C3C(=NC(=NC3=N2)SCCC4=CC=CC=C4)N)C5=CC=CC=C5","ZUIVWQMKWJPJCN-UHFFFAOYSA-N","381059",NA,"PDBC26848","667078","Present"
-"5-Phenyl-2-(2-thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine","","","","","","","","","","","","","","","","","","","","5-Phenyl-2-(2-thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine","","C1=CC=C(C=C1)C2=NC(=C3C(=N2)OC(=N3)C4=CC=CS4)N","SPZRUBDZNFFCEI-UHFFFAOYSA-N","387392",NA,"PDBC26849","681140","Present"
-"5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline","","C1CC2C(NC3=CC=CC=C3C2OC1)C4=CC=CC=C4","NNBCJSIAXXSBNX-UHFFFAOYSA-N","371501",NA,"PDBC26850","645796","Present"
-"5-Phenyl-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","","","","","","","","","","","","","","","","","","","5-Phenyl-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one","","COC1=CC(=CC(=C1OC)OC)N2C=C(NC2=O)C3=CC=CC=C3","JDTMXEQWBKIDGP-UHFFFAOYSA-N","44446870",NA,"PDBC26851","740260","Present"
-"5-Phenyl-4-(2-thenyl)-2,2'-bithiophene","","","","","","","","","","","","","","","","","","","","5-Phenyl-4-(2-thenyl)-2,2'-bithiophene","","C1=CC=C(C=C1)C2=C(C=C(S2)C3=CC=CS3)CC4=CC=CS4","RUTBNKNZOYSBDT-UHFFFAOYSA-N","377738",NA,"PDBC26852","659330","Present"
-"5-Phenyl-4-pyridin-4-yl-2,4-dihydro-3H-1,2,4-triazol-3-one","","","","","","","","","","","","","","","","","","","","3-phenyl-4-(4-pyridyl)-1H-1,2,4-triazol-5-one","","C1=CC=C(C=C1)C2=NNC(=O)N2C3=CC=NC=C3","SJHIDWOHWZAHQG-UHFFFAOYSA-N","386148",NA,"PDBC26853","677780","Present"
-"5-Phenylbenzo[b]phosphindole 5-oxide","","","","","","","","","","","","","","","","","","","","5-Phenyl-5H-dibenzophosphole-5-one","","C1=CC=C(C=C1)P2(=O)C3=CC=CC=C3C4=CC=CC=C24","MCHMCXFNGTUSDI-UHFFFAOYSA-N","380789",NA,"PDBC26854","666500","Present"
-"5-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","5-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine","","C1=CC=C(C=C1)C2=C3C(=NC(=NC3=NC=C2)N)N","HSVIGADIDMZKHT-UHFFFAOYSA-N","386758",NA,"PDBC26855","679437","Present"
-"5-Phenylpyrrolo[2,3-d]pyrimidine-3,4-diamine","","","","","","","","","","","","","","","","","","","","5-Phenylpyrrolo[2,3-d]pyrimidine-3,4-diamine","","C1=CC=C(C=C1)C2=CNC3=C2C(=N)N(C=N3)N","RWDQEQFNGFWGCD-UHFFFAOYSA-N","135489886",NA,"PDBC26856","690960","Present"
-"5-Piperidino-5H-[1]benzopyrano[4,3-d]pyrimidine-2-amine","","","","","","","","","","","","","","","","","","","","5-(1-Piperidyl)-5h-chromeno[4,3-d]pyrimidin-2-amine","","C1CCN(CC1)C2C3=CN=C(N=C3C4=CC=CC=C4O2)N","OKSNODVNMLYPCC-UHFFFAOYSA-N","390589",NA,"PDBC26857","688112","Present"
-"5-Propyl-5a,10,11-triaza-5aH-benzo[b]fluorene","","","","","","","","","","","","","","","","","","","","Pyrido[1',2':1,2]pyrimido[4,5-b]indole, 12-propyl","","CCCC1=C2C3=CC=CC=C3N=C2N=C4N1C=CC=C4","UYZUAUHFKWVRAB-UHFFFAOYSA-N","405263",NA,"PDBC26858","722416","Present"
-"5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one","","","","","","","","","","","","","","","","","","","","2-(2-pyridyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno...","","C1CCCC2=C(CC1)C3=C(S2)N=C(NC3=O)C4=CC=CC=N4","NHSUAHWEMKDLEX-UHFFFAOYSA-N","72196543",NA,"PDBC26859","764308","Present"
-"5-Pyrimidinecaboxamide,2,3,4-tetrahydro-4-hydroxy-1,3-dimethyl-N-(4-nitrophenyl)-6-oxo-2-thioxo-","","","","","","","","","","","","","","","","","","","","5-Pyrimidinecaboxamide, 1,2,3,4-tetrahydro-4-hydroxy-1,3...","","CN1C(=C(C(=O)N(C1=S)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])O","JHCMQNWSXOHQDS-UHFFFAOYSA-N","371516",NA,"PDBC26860","645838","Present"
-"5-Pyrimidinecarboxamide, 1,2,3,4-tetrahydro-2,4-dioxo-1-pentofuranosyl-N-[(phenylmethoxy)carbonyl]-","","","","","","","","","","","","","","","","","","","","NSC638131///NSC638205","","C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","PRGIJTPURRNUSX-UHFFFAOYSA-N","367932",NA,"PDBC26861","638131///638205","Present"
-"5-Pyrimidinecarboxamide, 1-(2-deoxy-4-C-methylpentofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-N-[(phenylmethoxy)carbonyl]-","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-[4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","CC1(C(CC(O1)N2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC3=CC=CC=C3)O)CO","OCTMTLLSBABYGR-UHFFFAOYSA-N","368289",NA,"PDBC26862","638797","Present"
-"5-Pyrimidinecarboxamide, N-(4-chlorophenyl)-4-[(2E)-2-[(4-chlorophenyl)methylene]hydrazino]-2-hydroxy-6-methyl-","","","","","","","","","","","","","","","","","","","","Pyrimidine-5-carboxamide, N-(4-chlorophenyl)-4- [2-[(4-c...","","CC1=C(C(=NC(=O)N1)NN=CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","NWOXODRDGLSXDB-LSHDLFTRSA-N","5351359",NA,"PDBC26863","624947","Present"
-"5-Pyrimidinemethanol, alpha,alpha-bis(4-chlorophenyl)-","","","","","","","","","","","","","","","","","","","",".alpha.,.alpha.-bis(4-chlorophenyl)-5-pyrimidine methanol","","C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl","CSRYTZCLFTYZLS-UHFFFAOYSA-N","161536",NA,"PDBC26864","626916","Present"
-"5-Pyrrolizino-5H-[1]benzopyrano[4,3-d]pyrimidine-2-amine","","","","","","","","","","","","","","","","","","","","5-(Pyrrolidin-1-yl)-5h-chromeno[4,3-d]pyrimidin-2-amine","","C1CCN(C1)C2C3=CN=C(N=C3C4=CC=CC=C4O2)N","LBOVMKZIZZCQRO-UHFFFAOYSA-N","390588",NA,"PDBC26865","688111","Present"
-"5-Quinolinesulfonic acid,7'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)iminocarbonyl]]bis[8-hydroxy-, tetrasodium salt","","","","","","","","","","","","","","","","","","","","5-Quinolinesulfonic acid, 7,7'-[1,2-ethenediylbis[(3-sul...","","C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC(=O)C5=CC(=C6C=CC=NC6=C5O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","AIOHJNVWCPIYGW-IPZCTEOASA-N","54604788",NA,"PDBC26866","665534","Present"
-"5-Sulfanylidene-1,2-dihydrotriazole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-Sulfanyl-1H-triazole-4-carboxylic acid","","C1(=NNNC1=S)C(=O)O","GNCPNAQCXHPXOX-UHFFFAOYSA-N","3005251",NA,"PDBC26867","686662","Present"
-"5-Tert-Butyl-2-(2,5-dichlorophenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(2,5-dichlorophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=C(C=CC(=C6)Cl)Cl","PLFMCAYPEZANFN-UHFFFAOYSA-N","381767",NA,"PDBC26868","668839","Present"
-"5-Tert-Butyl-2-(2-(4-tert-butyl-2-(formylamino)phenoxy)ethoxy)phenylformamide","","","","","","","","","","","","","","","","","","","","5-Tert-Butyl-2-(2-(4-tert-butyl-2-(formylamino)phenoxy)ethoxy)phenylformamide","","CC(C)(C)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C(C)(C)C)NC=O)NC=O","FTPBBJXJZJXDIG-UHFFFAOYSA-N","394579",NA,"PDBC26869","698148","Present"
-"5-Tert-Butyl-2-(3-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione","","","","","","","","","","","","","","","","","","","","5-Tert-Butyl-2-(3-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione","","CC(C)(C)C1=CC2=C(C=C1)C3=C(C4=C2C(=O)N(C4=O)C5=CC(=CC=C5)OC)NC6=CC=CC=C63","NJRCHKGEXBFROF-UHFFFAOYSA-N","371261",NA,"PDBC26870","645320","Present"
-"5-Tert-Butyl-2-(4-(methylthio)phenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-methylsulfanylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)SC","DNFXNYBDPGDEQY-UHFFFAOYSA-N","373638",NA,"PDBC26871","650358","Present"
-"5-Tert-Butyl-2-(4-chlorophenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","NSC657021///NSC663668","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)Cl","ABGJUPJVFXHECK-UHFFFAOYSA-N","376306",NA,"PDBC26872","657021///663668","Present"
-"5-Tert-Butyl-2-(4-methoxyphenyl)-10-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-methoxyphenyl)-17-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC1=CC2=C(C=C1)C3=C(N2)C4C(C5C3CCC(C5)C(C)(C)C)C(=O)N(C4=O)C6=CC=C(C=C6)OC","VPHKEKRMCHXCGE-UHFFFAOYSA-N","379242",NA,"PDBC26873","663656","Present"
-"5-Tert-Butyl-2-(4-methoxyphenyl)-11-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-methoxyphenyl)-18-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1=C2C(=CC=C1)C3=C(N2)C4C(C5C3CCC(C5)C(C)(C)C)C(=O)N(C4=O)C6=CC=C(C=C6)OC","NDBYGEVBXBDENB-UHFFFAOYSA-N","379243",NA,"PDBC26874","663657","Present"
-"5-Tert-Butyl-2-(4-methoxyphenyl)-8-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-methoxyphenyl)-15-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1=C2C(=CC=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C(C)(C)C","FQLOPFUUMZGWND-UHFFFAOYSA-N","379241",NA,"PDBC26875","663655","Present"
-"5-Tert-Butyl-2-(4-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione","","","","","","","","","","","","","","","","","","","","5-Tert-Butyl-2-(4-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione","","CC(C)(C)C1=CC2=C(C=C1)C3=C(C4=C2C(=O)N(C4=O)C5=CC=C(C=C5)OC)NC6=CC=CC=C63","SVDIGSMCZMBMAH-UHFFFAOYSA-N","371262",NA,"PDBC26876","645321","Present"
-"5-Tert-Butyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","WWCLAAVZIAXYMC-UHFFFAOYSA-N","362449",NA,"PDBC26877","626396","Present"
-"5-Tert-Butyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[e]pyrido[2,3-b]pyrrolo[3,4-g]indole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-phenyl-4,18,20-triazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)N=CC=C5)C(=O)N(C3=O)C6=CC=CC=C6","TYFAMNBKTXUXJU-UHFFFAOYSA-N","373639",NA,"PDBC26878","650359","Present"
-"5-Tert-Butyl-3-(phenylthio)-2(5H)-furanone","","","","","","","","","","","","","","","","","","","","AP-782/41885282","","CC(C)(C)C1C=C(C(=O)O1)SC2=CC=CC=C2","VMWPFAJHZPXAMW-UHFFFAOYSA-N","369519",NA,"PDBC26879","641316","Present"
-"5-Tert-Butyl-8-chloro-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-15-chloro-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC=C5Cl)C(=O)N(C3=O)C6=CC=C(C=C6)OC","LRGUPHYTUFAZBY-UHFFFAOYSA-N","390921",NA,"PDBC26880","689142","Present"
-"5-Tert-Butyl-9-fluoro-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-16-fluoro-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)F)C(=O)N(C3=O)C6=CC=C(C=C6)OC","YDHGTGZAIIQBKD-UHFFFAOYSA-N","379244",NA,"PDBC26881","663658","Present"
-"5-Tert-Butyl-9-methoxy-2-(4-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione","","","","","","","","","","","","","","","","","","","","5-Tert-Butyl-9-methoxy-2-(4-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione","","CC(C)(C)C1=CC2=C(C=C1)C3=C(C4=C2C(=O)N(C4=O)C5=CC=C(C=C5)OC)NC6=C3C=C(C=C6)OC","SMQXLJIANBDNHF-UHFFFAOYSA-N","375748",NA,"PDBC26882","655895","Present"
-"5-Tert-Butyl-9-methoxy-2-phenylbenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione","","","","","","","","","","","","","","","","","","","","5-Tert-Butyl-9-methoxy-2-phenylbenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione","","CC(C)(C)C1=CC2=C(C=C1)C3=C(C4=C2C(=O)N(C4=O)C5=CC=CC=C5)NC6=C3C=C(C=C6)OC","HTXJGLIHGZQHNL-UHFFFAOYSA-N","371268",NA,"PDBC26883","645327","Present"
-"5-Tert-Butyl-9-methyl-2-(3-methylphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-16-methyl-4-(3-methylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC1=CC(=CC=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)C)C(C)(C)C","MTHHWUGXPJQOQS-UHFFFAOYSA-N","397882",NA,"PDBC26884","706738","Present"
-"5-Tert-Butyl-9-methyl-2-(4-methylphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-16-methyl-4-(4-methylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)C)C(C)(C)C","AYUFRKFEPGDKKZ-UHFFFAOYSA-N","397880",NA,"PDBC26885","706736","Present"
-"5-Tert-Butyl-9-methyl-2-(4-phenoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-16-methyl-4-(4-phenoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC7=CC=CC=C7)C(C)(C)C","JWSLJRLYRJFSCH-UHFFFAOYSA-N","397881",NA,"PDBC26886","706737","Present"
-"5-Tert-butyl-2-[(2-carboxyphenyl)-phenylmethyl]benzene-1,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","5-Tert-butyl-2-[(2-carboxyphenyl)-phenylmethyl]benzene-1,3-dicarboxylic acid","","CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)C(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O)C(=O)O","JEWWOOJCHFASBC-UHFFFAOYSA-N","357633",NA,"PDBC26887","617157","Present"
-"5-Tert-butyl-2-[2-[2-(4-tert-butyl-2-sulfamoylphenoxy)ethoxy]ethoxy]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","2,2'-[Oxybis(ethane-2,1-diyloxy)]bis(5-tert-butylbenzenesulfonamide)","","CC(C)(C)C1=CC(=C(C=C1)OCCOCCOC2=C(C=C(C=C2)C(C)(C)C)S(=O)(=O)N)S(=O)(=O)N","HWGLNJSEEGWWIQ-UHFFFAOYSA-N","360743",NA,"PDBC26888","623082","Present"
-"5-Tert-butyl-2-[2-[2-[2-[4-tert-butyl-2-[(4-methylphenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]ethoxy]-N-(4-methylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","5-Tert-butyl-2-[2-[2-[2-[4-tert-butyl-2-[(4-methylphenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]ethoxy]-N-(4-methylphenyl)benzenesulfonamide","","CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(C)(C)C)OCCOCCOCCOC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)NC4=CC=C(C=C4)C","RIQQKEZOAODIFP-UHFFFAOYSA-N","360746",NA,"PDBC26889","623085","Present"
-"5-Tert-butyl-2-[2-[2-[4-tert-butyl-2-[(4-nitrophenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]-N-(4-nitrophenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","5-Tert-butyl-2-[2-[2-[4-tert-butyl-2-[(4-nitrophenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]-N-(4-nitrophenyl)benzenesulfonamide","","CC(C)(C)C1=CC(=C(C=C1)OCCOCCOC2=C(C=C(C=C2)C(C)(C)C)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","OKJVJMASCLRMSJ-UHFFFAOYSA-N","360745",NA,"PDBC26890","623084","Present"
-"5-Tert-butyl-2-[2-[4-tert-butyl-2-[(2-methoxyphenyl)sulfamoyl]phenoxy]ethoxy]-N-(2-methoxyphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","5-Tert-butyl-2-[2-[4-tert-butyl-2-[(2-methoxyphenyl)sulfamoyl]phenoxy]ethoxy]-N-(2-methoxyphenyl)benzenesulfonamide","","CC(C)(C)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C(C)(C)C)S(=O)(=O)NC3=CC=CC=C3OC)S(=O)(=O)NC4=CC=CC=C4OC","MVFWNSZYCDCFKX-UHFFFAOYSA-N","360744",NA,"PDBC26891","623083","Present"
-"5-Tert-butyl-2-methylsulfonyl-1,3-bis(prop-1-en-2-yl)benzene","","","","","","","","","","","","","","","","","","","","5-Tert-butyl-2-methylsulfonyl-1,3-bis(prop-1-en-2-yl)benzene","","CC(=C)C1=CC(=CC(=C1S(=O)(=O)C)C(=C)C)C(C)(C)C","ZVQBSYFDVLCYRE-UHFFFAOYSA-N","358623",NA,"PDBC26892","618631","Present"
-"5-Tert-butyl-2-phenylcyclohexyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","NSC122608","","CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CCC2C3=CC=CC=C3)C(C)(C)C","MONPOCASPAGPNP-UHFFFAOYSA-N","420294",NA,"PDBC26893","122608","Present"
-"5-Tert-butyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione","","","","","","","","","","","","","","","","","","","","5-Tert-butyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione","","CC(C)(C)N1C(=O)N2CC3=CC=CC4=C3C(=CC=C4)CN2C1=O","MKDKENCGNNFLNB-UHFFFAOYSA-N","391924",NA,"PDBC26894","691604","Present"
-"5-Thiazolebutanamide, 2-(aminothioxomethyl)-N-1H-benzimidazol-2-yl-4-methyl-alpha,gamma-dioxo-","","","","","","","","","","","","","","","","","","","","5-Thiazolebutanamide, 2-(aminothioxomethyl)-N-1H-benzimidazol-2-yl-4-methyl-alpha,gamma-dioxo-","","CC1=C(SC(=N1)C(=S)N)C(=O)CC(=O)C(=O)NC2=NC3=CC=CC=C3N2","DQIWPMIVMJNDEG-UHFFFAOYSA-N","3001921",NA,"PDBC26895","648596","Present"
-"5-Thiazolebutanamide, 2-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-ethoxyphenyl)-4-methyl-alpha,gamma-dioxo-","","","","","","","","","","","","","","","","","","","","4-[2-[[5-(3,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-N-(2-ethoxyphenyl)-2,4-dioxobutanamide","","CCOC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=NN=C(O3)C4=CC(=C(C=C4)Cl)Cl)C","QFXDYDVJPDBBEO-UHFFFAOYSA-N","371975",NA,"PDBC26896","646789","Present"
-"5-Thiazolecarboxylic acid, 2,3-dihydro-2-oxo-3-phenyl-4-[(phenylmethyl)thio]-, methyl ester","","","","","","","","","","","","","","","","","","","","5-Thiazolecarboxylic acid, 2,3-dihydro-2-oxo-3-phenyl-4-[(phenylmethyl)thio]-, methyl ester","","COC(=O)C1=C(N(C(=O)S1)C2=CC=CC=C2)SCC3=CC=CC=C3","IUQNCJVLGFPLNG-UHFFFAOYSA-N","372573",NA,"PDBC26897","647935","Present"
-"5-Thien-2-yl-2,7-trithioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Thien-2-yl-2,4,7-trithioxo-1,2,3,4,7,8-hexahydropyrido...","","C1=CSC(=C1)C2=C(C(=S)NC3=C2C(=S)NC(=S)N3)C#N","BYVVMOWUKICQMQ-UHFFFAOYSA-N","24203812",NA,"PDBC26898","729671","Present"
-"5-Trifluoromethyl-2-(4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","5-Trifluoromethyl-2-(4-hydroxyphenyl)benzothiazole","","C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)O","JFDRLDCIZJRMON-UHFFFAOYSA-N","404999",NA,"PDBC26899","721653","Present"
-"5-Trimethylsilyloxyspiro[8,9-dihydro-7H-benzo[7]annulene-6,1'-cyclopentane]-5-carbonitrile","","","","","","","","","","","","","","","","","","","","5-Trimethylsilyloxyspiro[8,9-dihydro-7H-benzo[7]annulene-6,1'-cyclopentane]-5-carbonitrile","","C[Si](C)(C)OC1(C2=CC=CC=C2CCCC13CCCC3)C#N","QGLQXCVSWJAOQF-UHFFFAOYSA-N","402685",NA,"PDBC26900","716871","Present"
-"5-Undecyl-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","AOD100770","","CCCCCCCCCCCC1=NN=C(O1)N","YEJPDPZLHKSBPB-UHFFFAOYSA-N","360698",NA,"PDBC26901","623034","Present"
-"5-[(1R,2R)-2-(4-Chlorophenyl)cyclopropyl]-3-methylsulfanyl-1,2-oxazole","","","","","","","","","","","","","","","","","","","","5-[(1R,2R)-2-(4-Chlorophenyl)cyclopropyl]-3-methylsulfanyl-1,2-oxazole","","CSC1=NOC(=C1)C2CC2C3=CC=C(C=C3)Cl","YPGCUULTGXDYBG-WDEREUQCSA-N","24203243",NA,"PDBC26902","727288","Present"
-"5-[(2,2-Dimethyl-1,3-dioxolan-4-yl)-hydroxy-methyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde","","","","","","","","","","","","","","","","","","","","5-[(2,2-Dimethyl-1,3-dioxolan-4-yl)-hydroxy-methyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde","","CC1(OCC(O1)C(C2C(OC(O2)(C)C)C=O)O)C","VSAVRERYWZDSQR-UHFFFAOYSA-N","390830",NA,"PDBC26903","688888","Present"
-"5-[(2,4-Dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","5-[(2,4-Dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione","","COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=NN(C3=S)CN4CCOCC4)COC5=C(C=C(C=C5)Cl)Cl)[N+](=O)[O-]","RTMIMNFMDGUCTF-IPPBACCNSA-N","9572714",NA,"PDBC26904","724652","Present"
-"5-[(2,4-Dichlorophenyl)methyl]-2-hydroxybenzo[b]carbazole-6,11-dione","","","","","","","","","","","","","","","","","","","","5-(2,4-Dichlorobenzyl)-2-hydroxy-5h-benzo[b]carbazole-6,11-dione","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N(C4=C3C=C(C=C4)O)CC5=C(C=C(C=C5)Cl)Cl","YFVWMDSMNVQAIJ-UHFFFAOYSA-N","403882",NA,"PDBC26905","719415","Present"
-"5-[(2-Chloroanilino)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-5'-(2-chloro-phenylaminomethylene-barbituri...","","CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2Cl)O","UHBLCNVLAUQRIK-UHFFFAOYSA-N","387471",NA,"PDBC26906","681275","Present"
-"5-[(2-Chloroanilino)methylene]-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione","","","","","","","","","","","","","","","","","","","","1,3-Diphenyl-5-(2-chloro-phenylaminomethylene-barbituric...","","C1=CC=C(C=C1)N2C(=C(C(=O)N(C2=O)C3=CC=CC=C3)C=NC4=CC=CC=C4Cl)O","URUHCOGMJIOZFO-UHFFFAOYSA-N","387472",NA,"PDBC26907","681276","Present"
-"5-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","5-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione","","CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)N=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl","GUSWDCBTAXNDPT-FJEPWZHXSA-N","9572367",NA,"PDBC26908","713297","Present"
-"5-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","5-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione","","COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=NN(C3=S)CN4CCOCC4)COC5=CC=CC=C5Cl)[N+](=O)[O-]","FYHZVIVKPJMWKY-RWPZCVJISA-N","9572713",NA,"PDBC26909","724651","Present"
-"5-[(2-Methyl-1,3-dioxolan-2-yl)methyl]-6-[2-(4-nitrophenyl)-1,3-dioxolan-2-yl]-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-[(2-Methyl-1,3-dioxolan-2-yl)methyl]-6-[2-(4-nitrophenyl)-1,3-dioxolan-2-yl]-1,3-benzodioxole","","CC1(OCCO1)CC2=CC3=C(C=C2C4(OCCO4)C5=CC=C(C=C5)[N+](=O)[O-])OCO3","MHSDUEGZXLXRDG-UHFFFAOYSA-N","404208",NA,"PDBC26910","720375","Present"
-"5-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methylamino]pentan-1-ol","","","","","","","","","","","","","","","","","","","","5-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methylamino]pentan-1-ol","","C1OC2=CC3=CC(=C4C=CC(=CC4=C3C=C2O1)OCC5=CC=CC=C5)CNCCCCCO","RJBQPKUQNKMUQU-UHFFFAOYSA-N","24205690",NA,"PDBC26911","736386","Present"
-"5-[(2E)-2-[(2,4-Dichlorophenyl)methylidene]hydrazinyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one","","","","","","","","","","","","","","","","","","","","5-[(2E)-2-[(2,4-Dichlorophenyl)methylidene]hydrazinyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one","","C1=CC(=C(C=C1Cl)Cl)C=NNC2=C(C=C3C(=C2[N+](=O)[O-])NC(=O)N3)[N+](=O)[O-]","RYDRUOYKIQTZLU-YAXRCOADSA-N","9572562",NA,"PDBC26912","720250","Present"
-"5-[(2E)-2-[(4-Nitrophenyl)methylene]hydrazino]thiadiazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-[(2E)-2-[(4-Nitrophenyl)methylene]hydrazino]thiadiazole-4-carboxamide","","C1=CC(=CC=C1C=NNC2=C(N=NS2)C(=O)N)[N+](=O)[O-]","GLYVDWJMBGCALU-LFYBBSHMSA-N","9571607",NA,"PDBC26913","686652","Present"
-"5-[(3,4-Dimethoxyphenyl)sulfanylmethyl]-1,2,3-trimethoxybenzene","","","","","","","","","","","","","","","","","","","","5-(((3,4-Dimethoxyphenyl)thio)methyl)-1,2,3-trimethoxybenzene","","COC1=C(C=C(C=C1)SCC2=CC(=C(C(=C2)OC)OC)OC)OC","BXNSQDHDQJLOBU-UHFFFAOYSA-N","384140",NA,"PDBC26914","673427","Present"
-"5-[(3,5-Dimethoxyphenyl)methyl]-1-[(dimethylamino)methyl]-2-hydroxybenzo[b]carbazole-6,11-dione","","","","","","","","","","","","","","","","","","","","5-(3,5-Dimethoxybenzyl)-1-[(dimethylamino)methyl]-2-hydroxy-5h-benzo[b]carbazole-6,11-dione","","CN(C)CC1=C(C=CC2=C1C3=C(N2CC4=CC(=CC(=C4)OC)OC)C(=O)C5=CC=CC=C5C3=O)O","AFWUHDKGNJUUKF-UHFFFAOYSA-N","404062",NA,"PDBC26915","720180","Present"
-"5-[(3,5-Dimethoxyphenyl)methyl]-2-hydroxy-11H-benzo[b]carbazol-6-one","","","","","","","","","","","","","","","","","","","","5-(3,5-Dimethoxybenzyl)-2-hydroxy-5,11-dihydro-6h-benzo[b]carbazol-6-one","","COC1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4)OC","MUIBLGSPNZETMK-UHFFFAOYSA-N","403878",NA,"PDBC26916","719411","Present"
-"5-[(3,5-Dimethoxyphenyl)methyl]-2-hydroxybenzo[b]carbazole-6,11-dione","","","","","","","","","","","","","","","","","","","","5-(3,5-Dimethoxybenzyl)-2-hydroxy-5h-benzo[b]carbazole-6,11-dione","","COC1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O)OC","MMBISHYCNXJJKU-UHFFFAOYSA-N","404489",NA,"PDBC26917","720725","Present"
-"5-[(3,5-Dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","5-[(3,5-Dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxamide","","CN(C)CCNC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC(=CC(=C4)OC)OC)C(=O)C5=CC=CC=C5C3=O)O","ZRZVXPWVWQBEGS-UHFFFAOYSA-N","404303",NA,"PDBC26918","720485","Present"
-"5-[(3-Carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid;(1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl)methanamine","","","","","","","","","","","","","","","","","","","","Benzoic acid, 3,3'-methylenebis(6-hydroxy-, compd. with ...","","C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CN.C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O","DHPTXSLYOSXGAH-UHFFFAOYSA-N","431216",NA,"PDBC26919","290555","Present"
-"5-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-5-oxo-pentanoic acid","","","","","","","","","","","","","","","","","","","","5-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-5-oxo-pentanoic acid","","CCC1=NNC(=O)N1NC(=O)CCCC(=O)O","URNZIYXDNHZALG-UHFFFAOYSA-N","387563",NA,"PDBC26920","681520","Present"
-"5-[(3-Hydroxy)benzyliden]-2(4methoxy)phenylimino-3-propyl-4-thyazolidinone","","","","","","","","","","","","","","","","","","","","5-[(3-hydroxy)benzyliden]-2(4methoxy)phenylimino-3-propy...","","CCCN1C(=O)C(=CC2=CC(=CC=C2)O)SC1=NC3=CC=C(C=C3)OC","ZSSHFRLJLVZHAR-JEFZPDFESA-N","24204244",NA,"PDBC26921","731060","Present"
-"5-[(3-Hydroxy)benzyliden]-2-phenylimino-3-propyl-4-thyazolid inone","","","","","","","","","","","","","","","","","","","","5-[(3-hydroxy)benzyliden]-2-phenylimino-3-propyl-4-thyaz...","","CCCN1C(=O)C(=CC2=CC(=CC=C2)O)SC1=NC3=CC=CC=C3","TZQMIGQPNFNXRK-KLAKZEAMSA-N","24204243",NA,"PDBC26922","731059","Present"
-"5-[(3-Hydroxy-4-methoxyphenyl)ethynyl]-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","5-[(3-hydroxy-4-methoxyphenyl)ethynyl]-6-(3,4,5-trimetho...","","COC1=C(C=C(C=C1)C#CC2=C(OC(=O)C=C2)C3=CC(=C(C(=C3)OC)OC)OC)O","MCQOKPBDVYAKPY-UHFFFAOYSA-N","45028148",NA,"PDBC26923","741289","Present"
-"5-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine","","CCNC1=NN=C(S1)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","ZMCMNDMPLLCEJQ-UHFFFAOYSA-N","373860",NA,"PDBC26924","650823","Present"
-"5-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine","","C1=CC=C(C=C1)C2=C(N=C(N2)SCC3=NN=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5","KODBGUVBMZBTOK-UHFFFAOYSA-N","373861",NA,"PDBC26925","650824","Present"
-"5-[(4,6-Dimethoxypyrimidin-2-yl)amino]benzimidazolo[1,2-a]quinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-[(4,6-Dimethoxypyrimidin-2-yl)amino]benzimidazolo[1,2-a]quinoline-6-carbonitrile","","COC1=CC(=NC(=N1)NC2=C(C3=NC4=CC=CC=C4N3C5=CC=CC=C52)C#N)OC","PHLMRPAWBLWAKK-UHFFFAOYSA-N","392511",NA,"PDBC26926","693028","Present"
-"5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(2-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine","","","","","","","","","","","","","","","","","","","","5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(2-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine","","C1=CC=NC=C1.C1=CC=C(C(=C1)C(C2C(=O)NC(=S)NC2=O)C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]","YYXWQXDXHCAGKU-UHFFFAOYSA-N","54611487",NA,"PDBC26927","705857","Present"
-"5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine","","","","","","","","","","","","","","","","","","","","5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine","","C1=CC=NC=C1.C1=CC(=CC=C1C(C2C(=O)NC(=S)NC2=O)C3C(=O)NC(=S)NC3=O)O","AQQYCDFANFYHJD-UHFFFAOYSA-N","54611433",NA,"PDBC26928","705856","Present"
-"5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine","","","","","","","","","","","","","","","","","","","","5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine","","C1=CC=NC=C1.C1=CC(=CC=C1C(C2C(=O)NC(=S)NC2=O)C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]","NZDZBDVXPDTGNX-UHFFFAOYSA-N","12043463",NA,"PDBC26929","705853","Present"
-"5-[(4-Bromophenyl)methoxymethyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol","","","","","","","","","","","","","","","","","","","","5-(((4-bromobenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmethyl)...","","C1CCN(C1)CC2=CC(=C3C=CC=NC3=C2O)COCC4=CC=C(C=C4)Br","ACJDLQAFDLDHQY-UHFFFAOYSA-N","155813493",NA,"PDBC26930","782182","Present"
-"5-[(4-Chloro-3-methylphenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","5-[(4-Chloro-3-methylphenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione","","CC1=C(C=CC(=C1)OCC2=NN(C(=S)N2N=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)CN5CCN(CC5)C)Cl","ZBNBYGOMIPZQBJ-IBBHUPRXSA-N","9572369",NA,"PDBC26931","713299","Present"
-"5-[(4-Chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione","","","","","","","","","","","","","","","","","","","","5-[(4-Chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione","","CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Cl)N=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl","ZLGUDHXWPMHDTE-FJEPWZHXSA-N","9572368",NA,"PDBC26932","713298","Present"
-"5-[(4-Chlorophenyl)-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione;pyridine","","","","","","","","","","","","","","","","","","","","5-[(4-Chlorophenyl)-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione;pyridine","","C1=CC=NC=C1.C1=CC(=CC=C1C(C2C(=O)NC(=O)NC2=O)C3C(=O)NC(=O)NC3=O)Cl","GPYZPZVVNUDMKX-UHFFFAOYSA-N","54611431",NA,"PDBC26933","705852","Present"
-"5-[(4-Chlorophenyl)-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine","","","","","","","","","","","","","","","","","","","","5-[(4-Chlorophenyl)-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine","","C1=CC=NC=C1.C1=CC(=CC=C1C(C2C(=O)NC(=S)NC2=O)C3C(=O)NC(=S)NC3=O)Cl","PVYLMWQMXSXISR-UHFFFAOYSA-N","54611432",NA,"PDBC26934","705855","Present"
-"5-[(4-Chlorophenyl)diazenyl]-10-thia-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-one","","","","","","","","","","","","","","","","","","","","3-(p-Chlorophenyl)diazo-2-oxoimidazolo[2,3-b]pyrimido[4,...","","C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=O)C4N=NC5=CC=C(C=C5)Cl","QZZUUFBUPSOBCX-UHFFFAOYSA-N","405901",NA,"PDBC26935","723582","Present"
-"5-[(4-Chlorophenyl)diazenyl]-4-ethoxy-6-methylpyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","5-[(4-Chlorophenyl)diazenyl]-4-ethoxy-6-methylpyrimidin-2-amine","","CCOC1=NC(=NC(=C1N=NC2=CC=C(C=C2)Cl)C)N","HXXYFQXBRTZKDQ-UHFFFAOYSA-N","339620",NA,"PDBC26936","367077","Present"
-"5-[(4-Ethylphenyl)methylene]-2-thioxo-4-thiazolidinone","","","","","","","","","","","","","","","","","","","","10058-F4","","CCC1=CC=C(C=C1)C=C2C(=O)NC(=S)S2","SVXDHPADAXBMFB-JXMROGBWSA-N","1271002",NA,"PDBC26937","764582","Present"
-"5-[(4-Fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","5-[(4-Fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide","","C1=CC(=CC=C1F)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","OFBTYCUOHYFQFF-UHFFFAOYSA-N","394906",NA,"PDBC26938","698999","Present"
-"5-[(4-Hydroxyphenyl)sulfanylmethyl]benzene-1,2,3-triol","","","","","","","","","","","","","","","","","","","","FSXNHDWBUCJUII-UHFFFAOYSA-N","","C1=CC(=CC=C1O)SCC2=CC(=C(C(=C2)O)O)O","FSXNHDWBUCJUII-UHFFFAOYSA-N","384139",NA,"PDBC26939","673426","Present"
-"5-[(4-Methylpiperazin-1-yl)methyl]-N-phenylthiophene-2-carbothioamide","","","","","","","","","","","","","","","","","","","","5-[(4-Methylpiperazin-1-yl)methyl]-N-phenylthiophene-2-carbothioamide","","CN1CCN(CC1)CC2=CC=C(S2)C(=S)NC3=CC=CC=C3","LWMUKSLYFIPUDO-UHFFFAOYSA-N","5471266",NA,"PDBC26940","710023","Present"
-"5-[(4-Morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 5-[[4-(4-morpholinyl)-1-piperdinyl]methyl]-","","C1CN(CCC1N2CCOCC2)CC3=C4C=CC=NC4=C(C=C3)O","ICBBQBKDKLHLBH-UHFFFAOYSA-N","155811880",NA,"PDBC26941","782204","Present"
-"5-[(4-Nitroanilino)methylene]-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione","","","","","","","","","","","","","","","","","","","","1,3-Diphenyl-5-(4-nitro-phenylaminomethylene-barbituric ...","","C1=CC=C(C=C1)N2C(=C(C(=O)N(C2=O)C3=CC=CC=C3)C=NC4=CC=C(C=C4)[N+](=O)[O-])O","XPHISYZMDNJZMY-UHFFFAOYSA-N","387457",NA,"PDBC26942","681263","Present"
-"5-[(4-Nitrobenzoyl)amino]-4,5-dihydrothiadiazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-[(4-Nitrobenzoyl)amino]-4,5-dihydrothiadiazole-4-carboxamide","","C1=CC(=CC=C1C(=O)NC2C(N=NS2)C(=O)N)[N+](=O)[O-]","AKIMPIXQEHVDAG-UHFFFAOYSA-N","388581",NA,"PDBC26943","683593","Present"
-"5-[(4-Nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine","","","","","","","","","","","","","","","","","","","","5-[(4-Nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine","","C1=CC(=CC=C1CN2C=C3C(=NC=N3)C(=N2)SCC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","ZQWMMOGZRVXEEP-UHFFFAOYSA-N","391411",NA,"PDBC26944","690584","Present"
-"5-[(4-Nitrophenyl)sulfanylamino]-1,3,4-thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","5-[(4-Nitrophenyl)sulfanylamino]-1,3,4-thiadiazole-2-sulfonamide","","C1=CC(=CC=C1[N+](=O)[O-])SNC2=NN=C(S2)S(=O)(=O)N","VAHPWRVYNIKKPL-UHFFFAOYSA-N","394903",NA,"PDBC26945","698995","Present"
-"5-[(4-Nitrophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","5-[(4-Nitrophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide","","C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","UZKSIVGPWQRGOU-UHFFFAOYSA-N","395817",NA,"PDBC26946","700709","Present"
-"5-[(4-Piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 5-[[1,4'-bipiperidin]-1'-ylmethyl]-","","C1CCN(CC1)C2CCN(CC2)CC3=C4C=CC=NC4=C(C=C3)O","ZBBMPAGCDSBVGS-UHFFFAOYSA-N","155815038",NA,"PDBC26947","782968","Present"
-"5-[(4-Tert-butylphenoxy)carbonylamino]-2-hydroxybenzoic acid","","","","","","","","","","","","","","","","","","","","Compound D14","","CC(C)(C)C1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)O)C(=O)O","QDDQSSZZYNCVHC-UHFFFAOYSA-N","308963",NA,"PDBC26948","211094","Present"
-"5-[(4-Trifluoromethylthio)benzyliden]-2(4-methoxy)phenylimin o-3-propyl-4-thyazolidinone","","","","","","","","","","","","","","","","","","","","5-[(4-trifluoromethylthio)benzyliden]-2(4-methoxy)phenyl...","","CCCN1C(=O)C(=CC2=CC=C(C=C2)SC(F)(F)F)SC1=NC3=CC=C(C=C3)OC","WJVLSYCEOYWKJO-IVTJCWFQSA-N","24204241",NA,"PDBC26949","731057","Present"
-"5-[(5-Bromo-6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-{[5-Bromo-6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}pyrimidine-2,4(1h,3h)-dione","","CSC1=NC(=C(C(=N1)Cl)Br)NC2=CNC(=O)NC2=O","CEQJPHHLURECQL-UHFFFAOYSA-N","244944",NA,"PDBC26950","56287","Present"
-"5-[(5-Cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-[(5-Cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile","","C1CCN(C1)C2=C(C(=C(C(=O)N2)C(C3=C(C=CC=C3Cl)Cl)C4=C(C(=C(NC4=O)N5CCCC5)C#N)O)O)C#N","KLWKUWVYNNDWFF-UHFFFAOYSA-N","54695414",NA,"PDBC26951","722825","Present"
-"5-[(5-Cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-[(5-Cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile","","C1COCCN1C2=C(C(=C(C(=O)N2)C(C3=C(C=CC=C3Cl)Cl)C4=C(C(=C(NC4=O)N5CCOCC5)C#N)O)O)C#N","WVQGNGAQKNBFBG-UHFFFAOYSA-N","54689426",NA,"PDBC26952","722812","Present"
-"5-[(5S,8Ar)-5-(4-fluoroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione","","","","","","","","","","","","","","","","","","","","5-[(5S,8Ar)-5-(4-fluoroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione","","COC1=CC(=CC(=O)C1=O)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F","VGQRFTLSIZXTJW-DTFIVFDZSA-N","369957",NA,"PDBC26953","642324","Present"
-"5-[(5S,8Ar)-5-(4-nitroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione","","","","","","","","","","","","","","","","","","","","5-[(5S,8Ar)-5-(4-nitroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione","","COC1=CC(=CC(=O)C1=O)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-]","BARQMCBVQOGZQU-DTFIVFDZSA-N","369955",NA,"PDBC26954","642322","Present"
-"5-[(6-Amino-5-nitropyrimidin-4-yl)amino]-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride","","","","","","","","","","","","","","","","","","","","5-[(6-Amino-5-nitropyrimidin-4-yl)amino]-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride","","C1=C(C(C(C1NC2=NC=NC(=C2[N+](=O)[O-])N)O)O)CO.Cl","UUHHPQYAOSPVBG-UHFFFAOYSA-N","370152",NA,"PDBC26955","642829","Present"
-"5-[(6-Chloroimidazo[2,1-b]thiazol-5-yl)methylene]thiazolidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-[(6-Chloroimidazo[2,1-b]thiazol-5-yl)methylene]thiazolidine-2,4-dione","","C1=CSC2=NC(=C(N21)C=C3C(=O)NC(=O)S3)Cl","QQAUYTVDPPGSCV-HYXAFXHYSA-N","5473183",NA,"PDBC26956","724358","Present"
-"5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 5,5'-methylenebis-","","C1=CC2=C(C=CC(=C2N=C1)O)CC3=C4C=CC=NC4=C(C=C3)O","FKGLQHRCVKTDFC-UHFFFAOYSA-N","761547",NA,"PDBC26957","782965","Present"
-"5-[(9-Bromo-9H-fluoren-2-yl)imino]furan-2-one","","","","","","","","","","","","","","","","","","","","Acrylic acid, 3-[N-(9-bromofluoren-2-yl)-1-hydroxyformim...","","C1=CC=C2C3=C(C=C(C=C3)N=C4C=CC(=O)O4)C(C2=C1)Br","PIDZTHONYVXGQW-UHFFFAOYSA-N","247050",NA,"PDBC26958","60832","Present"
-"5-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-3H-1,3,4-oxadiazole-2-thione","","","","","","","","","","","","","","","","","","","","5-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-3H-1,3,4-oxadiazole-2-thione","","C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)CC5=NNC(=S)O5","BQVVLENGRZMDJC-UHFFFAOYSA-N","3005419",NA,"PDBC26959","698982","Present"
-"5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one;hydrochloride","","CCCCCCCCC1=CCC(C1=O)CN(C)C.Cl","IYUUWHBPURSVMX-UHFFFAOYSA-N","362665",NA,"PDBC26960","626877","Present"
-"5-[(E)-(2-Hydroxy-1-naphthyl)azo]-2-[(E)-2-[4-[(E)-(2-hydroxy-1-naphthyl)azo]-2-sulfo-phenyl]vinyl]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","5-[(2-Hydroxynaphthalen-1-yl)diazenyl]-2-[(E)-2-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C(C=CC6=CC=CC=C65)O)S(=O)(=O)O)S(=O)(=O)O)O","ITHIYCYVWVTJNE-YSYJPELISA-N","135421922",NA,"PDBC26961","34930","Present"
-"5-[(E)-(4-Chlorophenyl)azo]-4-methyl-6-phenyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-[(4-Chlorophenyl)diazenyl]-4-methyl-6-phenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4C(C(C(C(O4)CO)O)O)O)C#N","QHTZOUDAGYKECO-UHFFFAOYSA-N","381301",NA,"PDBC26962","667738","Present"
-"5-[(E)-(4-Methoxyphenyl)azo]-4-methyl-6-phenyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","5-[(4-Methoxyphenyl)diazenyl]-4-methyl-6-phenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)OC)C3=CC=CC=C3)C4C(C(C(C(O4)CO)O)O)O)C#N","GBUGBWQTPTUOGS-UHFFFAOYSA-N","381300",NA,"PDBC26963","667737","Present"
-"5-[(E)-(Benzylamino)azo]-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-[(E)-(Benzylamino)azo]-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione","","C1=CC=C(C=C1)CN=NNC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","MNMWZPRCWVDILM-UHFFFAOYSA-N","370565",NA,"PDBC26964","643791","Present"
-"5-[(E)-(Dimethylhydrazono)methyl]-1,3-dimethyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-[(E)-(Dimethylhydrazono)methyl]-1,3-dimethyl-pyrimidine-2,4-dione","","CN1C=C(C(=O)N(C1=O)C)C=NN(C)C","IKVFGRISLNCCDO-BJMVGYQFSA-N","9556298",NA,"PDBC26965","686406","Present"
-"5-[(E)-2-(3-Methyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]quinolin-8-ol;iodide","","","","","","","","","","","","","","","","","","","","5-[(E)-2-(3-Methyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]quinolin-8-ol;iodide","","C[N+]1=C([Se]C2=CC=CC=C21)C=CC3=C4C=CC=NC4=C(C=C3)O.[I-]","KKUUBLFKYBRSPH-UHFFFAOYSA-N","135488972",NA,"PDBC26966","86374","Present"
-"5-[(E)-2-(4-Bromophenyl)ethenyl]-1,2,3-trimethoxybenzene","","","","","","","","","","","","","","","","","","","","5-[2-(4-Bromophenyl)Ethenyl]-1,2,3-Trimethoxy Benzene","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)Br","UBBBWYGKBDCYDY-SNAWJCMRSA-N","5388062",NA,"PDBC26967","631362","Present"
-"5-[(E)-2-[(7R,8Ar,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]ethenyl]-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol","","","","","","","","","","","","","","","","","","","","5-[(E)-2-[(7R,8Ar,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]ethenyl]-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol","","CC(=CCC1=C(C=C(C=C1O)C=CC2=CC3=C(C(=C2)OC)OC4(CCC(C(C4C3)(C)C)O)C)O)CCC=C(C)CO","MCYIQAGFDHUBHQ-SCHXCMLESA-N","24204369",NA,"PDBC26968","731589","Present"
-"5-[(E)-3-(3,4-Dimethoxyphenyl)prop-2-enoyl]-2,4-dimethoxybenzoic acid","","","","","","","","","","","","","","","","","","","","Benzoic acid, 5-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propeny...","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2OC)OC)C(=O)O)OC","LFBDNVSOAVIRDC-FNORWQNLSA-N","5935200",NA,"PDBC26969","295572","Present"
-"5-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]-2-methyl-6-phenyl-4-pyrrolidin-1-yl-pyridazin-3-one","","","","","","","","","","","","","","","","","","","","Pyridazin-3(2H)-one, 5-[3-(4-chlorophenyl)-1-oxo-2-prope...","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl)N4CCCC4","GUUJTTWRKAEVNS-SDNWHVSQSA-N","6380585",NA,"PDBC26970","633104","Present"
-"5-[(E)-3-(4-Nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","5-[(E)-3-(4-Nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione","","C1=CC(=CC=C1C=CC=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]","ASHTWBZQBQOVFH-OWOJBTEDSA-N","5938458",NA,"PDBC26971","684565","Present"
-"5-[(E)-3-Oxo-5-phenyl-pent-4-enyl]hexahydropyrimidine-2,4,6-trione","","","","","","","","","","","","","","","","","","","","5-[(E)-3-Oxo-5-phenyl-pent-4-enyl]hexahydropyrimidine-2,4,6-trione","","C1=CC=C(C=C1)C=CC(=O)CCC2C(=O)NC(=O)NC2=O","MOWHELJQHRTZST-VOTSOKGWSA-N","5467271",NA,"PDBC26972","649575","Present"
-"5-[(E)-3-[4-(Diethylamino)phenyl]prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","5-[(E)-3-[4-(Diethylamino)phenyl]prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione","","CCN1C(=O)C(=CC=CC2=CC=C(C=C2)N(CC)CC)C(=O)N(C1=S)CC","CQMQPWOPDADRPR-MDZDMXLPSA-N","5938461",NA,"PDBC26973","684568","Present"
-"5-[(E)-4-(4-Chlorophenyl)sulfanylpent-2-enyl]-6-methyl-1,2,4-triazin-3-amine","","","","","","","","","","","","","","","","","","","","5-[(E)-4-(4-Chlorophenyl)sulfanylpent-2-enyl]-6-methyl-1,2,4-triazin-3-amine","","CC1=C(N=C(N=N1)N)CC=CC(C)SC2=CC=C(C=C2)Cl","ODIXICUMZZBYQR-ONEGZZNKSA-N","6414927",NA,"PDBC26974","698023","Present"
-"5-[(E)-Dimethylaminoazo]-1,3-dihydrobenzimidazol-2-one","","","","","","","","","","","","","","","","","","","","5-[(E)-Dimethylaminoazo]-1,3-dihydrobenzimidazol-2-one","","CN(C)N=NC1=CC2=C(C=C1)NC(=O)N2","NRRTWQIEQWKPCR-UHFFFAOYSA-N","388858",NA,"PDBC26975","684052","Present"
-"5-[(E)-Styryl]tetrahydrofuran-2,3,4-trione","","","","","","","","","","","","","","","","","","","","5-[(E)-Styryl]tetrahydrofuran-2,3,4-trione","","C1=CC=C(C=C1)C=CC2C(=O)C(=O)C(=O)O2","OPHIATAEBWQGEF-VOTSOKGWSA-N","5906551",NA,"PDBC26976","642644","Present"
-"5-[(E)-[(8-Hydroxyquinolin-2-yl)hydrazinylidene]methyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol","","","","","","","","","","","","","","","","","","","","5-Quinolinecarboxaldehyde, 8-hydroxy-7-(4-morpholinyl-me...","","C1COCCN1CC2=CC(=C3C=CC=NC3=C2O)C=NNC4=NC5=C(C=CC=C5O)C=C4","DOZCBFMWNWUULK-VULFUBBASA-N","155808735",NA,"PDBC26977","781666","Present"
-"5-[(E)-[(8-Hydroxyquinolin-2-yl)hydrazinylidene]methyl]-7-(piperidin-1-ylmethyl)quinolin-8-ol","","","","","","","","","","","","","","","","","","","","5-Quinolinecarboxaldehyde, 8-hydroxy-7-(1-piperidinyl-me...","","C1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)C=NNC4=NC5=C(C=CC=C5O)C=C4","NJUXKBYXWJEBPK-JFLMPSFJSA-N","155816857",NA,"PDBC26978","781667","Present"
-"5-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-thiazole-2-carbonitrile","","","","","","","","","","","","","","","","","","","","5-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-thiazole-2-carbonitrile","","C1=CC(=CC=C1C=NC2=CN=C(S2)C#N)N(CCCl)CCCl","QCLYSNBFASOOKB-VXLYETTFSA-N","9568291",NA,"PDBC26979","83343","Present"
-"5-[(E)-[Amino(methyl)amino]azo]-1H-imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","1H-Imidazole-4-carboxamide, 5-(3-methyl-1-tetrazenyl)-","","CN(N)N=NC1=C(NC=N1)C(=O)N","XWFIERMHXBDFMK-ZHACJKMWSA-N","135493930",NA,"PDBC26980","684047","Present"
-"5-[(Z)-(Phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-[(Z)-(Phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione","","C1=CC=C(C=C1)NN=CC2=CNC(=O)NC2=O","KUCAEENKTLDCGM-QPEQYQDCSA-N","135455281",NA,"PDBC26981","521586","Present"
-"5-[(Z)-1-(Benzenesulfonylmethyl)-2-nitro-vinyl]-6-(methoxymethyl)-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-[(Z)-1-(Benzenesulfonylmethyl)-2-nitro-vinyl]-6-(methoxymethyl)-1,3-benzodioxole","","COCC1=CC2=C(C=C1C(=C[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3)OCO2","UNGOOENBGBQCRL-NTEUORMPSA-N","3005427",NA,"PDBC26982","699765","Present"
-"5-[(Z)-1-Chloro-2-phenyl-vinyl]-6-nitro-1-oxido-2-phenyl-indol-1-ium-3-one","","","","","","","","","","","","","","","","","","","","5-[(Z)-1-Chloro-2-phenyl-vinyl]-6-nitro-1-oxido-2-phenyl-indol-1-ium-3-one","","C1=CC=C(C=C1)C=C(C2=C(C=C3C(=C2)C(=O)C(=[N+]3[O-])C4=CC=CC=C4)[N+](=O)[O-])Cl","TZHAJWKTJJMASZ-WQRHYEAKSA-N","5704789",NA,"PDBC26983","626402","Present"
-"5-[(Z)-2-(2,4-Dinitrophenyl)ethenyl]-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-[(Z)-2-(2,4-Dinitrophenyl)ethenyl]-1,3-benzodioxole","","C1OC2=C(O1)C=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","JZKCYSOYDHMFHQ-IWQZZHSRSA-N","54612568",NA,"PDBC26984","406159","Present"
-"5-[(Z)-2-(4-Bromophenyl)ethenyl]-1,2,3-trimethoxybenzene","","","","","","","","","","","","","","","","","","","","(Z) 4-Bromo-3',4',5'-Trimethoxystilbene","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)Br","UBBBWYGKBDCYDY-PLNGDYQASA-N","5388768",NA,"PDBC26985","638486","Present"
-"5-[(Z)-2-(4-Chlorophenyl)ethenyl]-1,2,3-trimethoxybenzene","","","","","","","","","","","","","","","","","","","","(Z) 4-Chloro-3',4',5'-trimethoxystilbene","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)Cl","PRZBYQFRFYZXBQ-PLNGDYQASA-N","5388770",NA,"PDBC26986","638488","Present"
-"5-[(Z)-2-Nitroethenyl]-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","WLN: T56 BO DO CHJ G1U1NW","","C1OC2=C(O1)C=C(C=C2)C=C[N+](=O)[O-]","KFLWBZPSJQPRDD-ARJAWSKDSA-N","5354438",NA,"PDBC26987","10120","Present"
-"5-[(Z)-Hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol","","","","","","","","","","","","","","","","","","","","5-[(Z)-Hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol","","C1=C(C=C(C(=C1C=NO)O)O)C=NO","RVXQVCZJDDAKEE-INWPEIIHSA-N","135436317",NA,"PDBC26988","718158","Present"
-"5-[(Z)-Indol-3-ylidenemethyl]-2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-imidazol-4-ol","","","","","","","","","","","","","","","","","","","","5-[(Z)-Indol-3-ylidenemethyl]-2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-imidazol-4-ol","","C1=CC=C2C(=C1)C(=CN2)C=NNC3=NC(=C(N3)C=C4C=NC5=CC=CC=C54)O","UUNCPUJFZDFYCK-FEOLEBOXSA-N","135505205",NA,"PDBC26989","704858","Present"
-"5-[(Z)-Methoxyiminomethyl]-3-[(E)-methoxyiminomethyl]benzene-1,2-diol","","","","","","","","","","","","","","","","","","","","5-[(Z)-Methoxyiminomethyl]-3-[(E)-methoxyiminomethyl]benzene-1,2-diol","","CON=CC1=CC(=C(C(=C1)O)O)C=NOC","QGQUOAQUIIXRDC-JTAXDKCCSA-N","135436318",NA,"PDBC26990","718159","Present"
-"5-[(Z)-[5-[(E)-(5-Imino-3,3-dimethyloxolan-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-ylidene]methyl]-2,4,4-trimethyl-3H-pyrrole-2-carbonitrile","","","","","","","","","","","","","","","","","","","","5-[(Z)-[5-[(E)-(5-Imino-3,3-dimethyloxolan-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-ylidene]methyl]-2,4,4-trimethyl-3H-pyrrole-2-carbonitrile","","CC1(CC(=N)OC1=CC2=NC(=CC3=NC(CC3(C)C)(C)C#N)CC2(C)C)C","AJVGWXNMFPWICK-YAZRYWJLSA-N","5471911",NA,"PDBC26991","715334","Present"
-"5-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]-1,3-diazinane-2,4,6-trione","","","","","","","","","","","","","","","","","","","","5-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]pyrimidine-2,4,6(1h,3h,5h)-trione","","C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)C3C(=O)NC(=O)NC3=O)Cl","SOYXGXZLGYRUPI-UHFFFAOYSA-N","405076",NA,"PDBC26992","721957","Present"
-"5-[1,3-Dithian-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole","","","","","","","","","","","","","","","","","","","","5-[1,3-Dithian-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole","","COC1=CC(=CC(=C1OC)OC)C(C2SCCCS2)C3=CC4=C(C=C3)OCO4","ODTWEHBQUGQFIU-UHFFFAOYSA-N","388764",NA,"PDBC26993","683842","Present"
-"5-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-2-(1-pyrrolidinyl)-4-(trifluoromethyl)pyrimidine","","","","","","","","","","","","","","","","","","","","5-[1-(4-Chloro-phenyl)-1H-tetrazol-5-yl]-2-pyrrolidin-1-...","","C1CCN(C1)C2=NC=C(C(=N2)C(F)(F)F)C3=NN=NN3C4=CC=C(C=C4)Cl","ITEQRTWMTYJAIE-UHFFFAOYSA-N","7285296",NA,"PDBC26994","735173","Present"
-"5-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-3H-1,3,4-oxadiazol-2-one","","","","","","","","","","","","","","","","","","","","5-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-3H-1,3,4-oxadiazol-2-one","","C1=CC(=CC=C1N2C=C(C(=N2)C3=NNC(=O)O3)O)Cl","DBMMPJBBLWSENN-UHFFFAOYSA-N","406746",NA,"PDBC26995","725026","Present"
-"5-[1-(4-Chlorophenyl)cyclopentyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol","","","","","","","","","","","","","","","","","","","","5-[1-(4-Chlorophenyl)cyclopentyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol","","C1CCC(C1)(C2=CC=C(C=C2)Cl)C3(C4=CC=CC=C4C5=NCCN53)O","MQDPHNCOCOWZEF-UHFFFAOYSA-N","399397",NA,"PDBC26996","710118","Present"
-"5-[1-(4-Dimethylaminophenyl)propyl]-2-thioxo-imidazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-(1-(4-(Dimethylamino)phenyl)propyl)-2-thioxo-4-imidazolidinone","","CCC(C1C(=O)NC(=S)N1)C2=CC=C(C=C2)N(C)C","HYQPBFIAYWLAFH-UHFFFAOYSA-N","3005232",NA,"PDBC26997","684387","Present"
-"5-[1-(4-Methylphenyl)-3-oxo-3-phenylpropyl]-1,3-diazinane-2,4,6-trione","","","","","","","","","","","","","","","","","","","","5-[1-(4-Methylphenyl)-3-oxo-3-phenylpropyl]pyrimidine-2,4,6(1h,3h,5h)-trione","","CC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3C(=O)NC(=O)NC3=O","IXCWWLSMQKGKGP-UHFFFAOYSA-N","405086",NA,"PDBC26998","721967","Present"
-"5-[1-(p-Tolylsulfonyl)aziridin-2-yl]pentanal","","","","","","","","","","","","","","","","","","","","5-[1-(p-Tolylsulfonyl)aziridin-2-yl]pentanal","","CC1=CC=C(C=C1)S(=O)(=O)N2CC2CCCCC=O","GSJXLMQTTRDRTE-UHFFFAOYSA-N","390158",NA,"PDBC26999","687303","Present"
-"5-[1-[[2-Acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide","","","","","","","","","","","","","","","","","","","","5-[1-[[2-Acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide","","CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-])NC(=O)C","YIRPLGKUOHBEPW-UHFFFAOYSA-N","404849",NA,"PDBC27000","721393","Present"
-"5-[1-[[2-[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]acetyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide","","","","","","","","","","","","","","","","","","","","5-[1-[[2-[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]acetyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide","","CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)CC3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-]","NDVKODCCKFJFSA-UHFFFAOYSA-N","404850",NA,"PDBC27001","721394","Present"
-"5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(1,4-dioxonaphthalen-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide","","","","","","","","","","","","","","","","","","","","5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(1,4-dioxonaphthalen-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide","","CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC(=O)C5=CC=CC=C5C4=O","KEOOLQDMCOPPKK-UHFFFAOYSA-N","404848",NA,"PDBC27002","721392","Present"
-"5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide","","","","","","","","","","","","","","","","","","","","5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide","","CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-]","LERQMDBSXNYVEM-UHFFFAOYSA-N","404847",NA,"PDBC27003","721391","Present"
-"5-[1-[[4-[[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]benzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide","","","","","","","","","","","","","","","","","","","","5-[1-[[4-[[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]benzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide","","CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)NP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-]","OJNQUVKHPHNWLC-UHFFFAOYSA-N","404851",NA,"PDBC27004","721395","Present"
-"5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-N-hexyl-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-N-hexyl-2-hydroxy-benzamide","","CCCCCCNC(=O)C1=C(C=CC(=C1)CCC2=C(C=CC(=C2)O)O)O","GTQFMNGGLLWWNL-UHFFFAOYSA-N","402189",NA,"PDBC27005","716056","Present"
-"5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-2-hydroxy-N-phenethyl-benzamide","","","","","","","","","","","","","","","","","","","","5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-2-hydroxy-N-phenethyl-benzamide","","C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)C=CC3=C(C=CC(=C3)O)O)O","BHRNYLHLXSOKRR-SOFGYWHQSA-N","5472032",NA,"PDBC27006","716054","Present"
-"5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-[2-(4-fluoro-phenyl)-ethyl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-[2-(4-fluoro-phenyl)-ethyl]-2-hydroxy-benzamide","","C1=CC(=CC=C1CCNC(=O)C2=C(C=CC(=C2)C=CC3=C(C=CC(=C3)O)O)O)F","UVITVCIUDMGGEQ-ORCRQEGFSA-N","5472033",NA,"PDBC27007","716055","Present"
-"5-[2-(2,5-Dimethoxy-phenyl)-acetyl]-N-[2-(4-fluoro-phenyl)-ethyl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","5-[2-(2,5-dimethoxyphenyl)acetyl]-2-hydroxyphenyl]-~N-[2...","","COC1=CC(=C(C=C1)OC)CC(=O)C2=CC(=C(C=C2)O)C(=O)NCCC3=CC=C(C=C3)F","PFUICXQINROWGD-UHFFFAOYSA-N","402948",NA,"PDBC27008","717356","Present"
-"5-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-4-methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one","","","","","","","","","","","","","","","","","","","","5-[2-[2-(Diethylaminomethyl)-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CCN(CC)CC1CCCCN1CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C","CNAPNWNCRWDJDE-UHFFFAOYSA-N","377481",NA,"PDBC27009","658949","Present"
-"5-[2-(2-Hydroxyethylamino)ethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one","","","","","","","","","","","","","","","","","","","","5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","C1=CC2=C(C=C1O)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO","DMWBKWZMHBLROH-UHFFFAOYSA-N","438555",NA,"PDBC27010","645829","Present"
-"5-[2-(3,4-Dimethoxyphenyl)ethyl]-2-hydroxybenzoic acid","","","","","","","","","","","","","","","","","","","","5-[2-(3,4-Dimethoxyphenyl)ethyl]-2-hydroxybenzoic acid","","COC1=C(C=C(C=C1)CCC2=CC(=C(C=C2)O)C(=O)O)OC","ZGJRCBZQVVYKMS-UHFFFAOYSA-N","380859",NA,"PDBC27011","666599","Present"
-"5-[2-(3-Amino-6-fluoroisoquinolin-4-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","5-((3-amino-6-fluoroisoquinolin-4-yl)ethynyl)-6-methyl-N...","","CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=C5C=C(C=CC5=CN=C4N)F","NLTPJGABPAYONH-UHFFFAOYSA-N","134276772",NA,"PDBC27012","802538","Present"
-"5-[2-(3-Methoxyphenyl)ethylamino]-7-methyl-benzimidazolo[1,2-a][1,8]naphthyridin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","Benzimidazo[1,2-a][1,8]naphthyridin-7-ium, 6-cyano-5-[[2...","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=C(N2C4=CC=CC=C41)N=CC=C3)NCCC5=CC(=CC=C5)OC)C#N","OHJXKIBPCNXPLV-UHFFFAOYSA-N","393024",NA,"PDBC27013","694269","Present"
-"5-[2-(4-Chlorophenyl)ethyl]-6,7-dimethyl-1,1-dioxo-3-phenyl-3,4-dihydro-2H-pyrrolo[3,2-b][1,4]thiazine-2-carbonitrile","","","","","","","","","","","","","","","","","","","","5-[2-(4-Chlorophenyl)ethyl]-6,7-dimethyl-1,1-dioxo-3-phenyl-3,4-dihydro-2H-pyrrolo[3,2-b][1,4]thiazine-2-carbonitrile","","CC1=C(N(C2=C1S(=O)(=O)C(C(N2)C3=CC=CC=C3)C#N)CCC4=CC=C(C=C4)Cl)C","IFOAYRQIXAMJIB-UHFFFAOYSA-N","392835",NA,"PDBC27014","693813","Present"
-"5-[2-(4-Fluorophenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","5-[2-(4-Fluorophenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile","","C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)NCCC5=CC=C(C=C5)F","YZXQLOGTUGLDBN-UHFFFAOYSA-N","391678",NA,"PDBC27015","691220","Present"
-"5-[2-(4-Methoxyphenyl)Ethyl]-1,3-Dimethoxy Benzene","","","","","","","","","","","","","","","","","","","","5-[2-(4-Methoxyphenyl)Ethyl]-1,2,3-Dimethoxy Benzene","","COC1=CC=C(C=C1)CCC2=CC(=CC(=C2)OC)OC","IMBWDLGZWDZTMN-UHFFFAOYSA-N","364702",NA,"PDBC27016","631356","Present"
-"5-[2-(8-Amino-1,7-naphthyridin-5-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","5-((8-amino-1,7-naphthyridin-5-yl)ethynyl)-6-methyl-N-(4...","","CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=CC=N5)N","UAFBNXYIUVXCJM-UHFFFAOYSA-N","134276859",NA,"PDBC27017","801420","Present"
-"5-[2-(Diethylamino)ethoxy]-10-[2-(diethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","","","","","","","","","","","","","","","","","","","5-[2-(Diethylamino)ethoxy]-10-[2-(diethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OCCN(CC)CC","ZKIVPMPNONZNIG-UHFFFAOYSA-N","439027",NA,"PDBC27018","699153","Present"
-"5-[2-(Pyridin-2-yl)ethynyl]-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","5-[2-(pyridin-2-yl)ethynyl]-6-(3,4,5-trimethoxyphenyl)-2...","","COC1=CC(=CC(=C1OC)OC)C2=C(C=CC(=O)O2)C#CC3=CC=CC=N3","ZSHLYSBYGINZJK-UHFFFAOYSA-N","45028049",NA,"PDBC27019","740845","Present"
-"5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-1,3-diazinane-2,4,6-trione","","","","","","","","","","","","","","","","","","","","5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-1,3-diazinane-2,4,6-trione","","COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(C3C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5","MISYGYFJPZPFOP-UHFFFAOYSA-N","405084",NA,"PDBC27020","721965","Present"
-"5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(C3C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5","MGTJJXGDAUYMNB-UHFFFAOYSA-N","5472840",NA,"PDBC27021","721966","Present"
-"5-[2-Benzoyl-1,3-bis(4-methylphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","5-[2-Benzoyl-1,3-bis(4-methylphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","CC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(C3C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5","PIHFZKABJHCFRL-UHFFFAOYSA-N","5472841",NA,"PDBC27022","721968","Present"
-"5-[2-Diethylaminoethylamino]-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=CC=CC=C4C2=O","ODUVNHPURYHOJK-UHFFFAOYSA-N","438561",NA,"PDBC27023","645821","Present"
-"5-[2-Diethylaminoethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O","YEYRTYJQKCNBIE-UHFFFAOYSA-N","438567",NA,"PDBC27024","645828","Present"
-"5-[2-Diethylaminoethylamino]-8-methoxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-5-methoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC","YUYJABGAVLKAJQ-UHFFFAOYSA-N","438566",NA,"PDBC27025","645826","Present"
-"5-[2-Diethylaminoethylamino]-8-nitro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one","","","","","","","","","","","","","","","","","","","","10-[2-(Diethylamino)ethylamino]-5-nitro-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)[N+](=O)[O-]","PEQNMCQAQYPFTF-UHFFFAOYSA-N","438556",NA,"PDBC27026","645816","Present"
-"5-[2-Dimethylaminoethylamino]-8-chloro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one","","","","","","","","","","","","","","","","","","","","5-Chloro-10-[2-(dimethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)Cl","AFXDVSBSNRAKKZ-UHFFFAOYSA-N","438558",NA,"PDBC27027","645818","Present"
-"5-[2-Dimethylaminoethylamino]-8-methyl-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one","","","","","","","","","","","","","","","","","","","","10-[2-(Dimethylamino)ethylamino]-5-methyl-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one","","CC1=CC2=C(C=C1)N3C4=C(C=CC(=C4C2=O)NCCN(C)C)N=N3","VOKYJMLZEOIPFL-UHFFFAOYSA-N","438563",NA,"PDBC27028","645823","Present"
-"5-[2-[2-(5-Anilino-1,3,4-thiadiazol-2-yl)anilino]phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-[2-[2-(5-Anilino-1,3,4-thiadiazol-2-yl)anilino]phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine","","C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC=CC=C3NC4=CC=CC=C4C5=NN=C(S5)NC6=CC=CC=C6","RBCJNCHCJNDFJB-UHFFFAOYSA-N","394755",NA,"PDBC27029","698458","Present"
-"5-[2-[3-Phenylpropyl(propyl)amino]ethyl]-1,3-dihydrobenzimidazole-2-thione","","","","","","","","","","","","","","","","","","","","5-[2-[3-Phenylpropyl(propyl)amino]ethyl]-1,3-dihydrobenzimidazole-2-thione","","CCCN(CCCC1=CC=CC=C1)CCC2=CC3=C(C=C2)NC(=S)N3","YPNWEKIQMJCAGO-UHFFFAOYSA-N","3005423",NA,"PDBC27030","699427","Present"
-"5-[2-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione","","","","","","","","","","","","","","","","","","","","5-[2-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione","","C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCC4=CC5=C(C=C4)NC(=S)N5","JACBHJSHCJVLPK-UHFFFAOYSA-N","5470861",NA,"PDBC27031","705936","Present"
-"5-[2-[8-(Trifluoromethyl)quinolin-4-yl]sulfanylethyl]-3H-1,3,4-oxadiazole-2-thione","","","","","","","","","","","","","","","","","","","","5-[2-[8-(Trifluoromethyl)quinolin-4-yl]sulfanylethyl]-3H-1,3,4-oxadiazole-2-thione","","C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)SCCC3=NNC(=S)O3","XCLALWDPYMKTQB-UHFFFAOYSA-N","45027947",NA,"PDBC27032","740243","Present"
-"5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(4-nitrophenyl)pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(4-nitrophenyl)pyrazole-3-carboxamide","","C1=CC(=CC=C1N2C(=CC(=N2)C3C(C(C(O3)CO)O)O)C(=O)N)[N+](=O)[O-]","MVHSDTAZDIRYPT-UHFFFAOYSA-N","374292",NA,"PDBC27033","651811","Present"
-"5-[3-(2-Aminophenyl)-3-oxo-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","5-[3-(2-Aminophenyl)-3-oxo-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione","","C1=CC=C(C(=C1)C(=O)CCC2C(=O)NC(=S)NC2=O)N","HVSFFSQDSUWXDH-UHFFFAOYSA-N","3004345",NA,"PDBC27034","647091","Present"
-"5-[3-(2-Chloro-4-pyridin-4-ylphenyl)but-1-ynyl]-6-ethylpyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","5-(3-(2-chloro-4-(pyridin-4-yl)phenyl)but-1-yn-1-yl)-6-e...","","CCC1=C(C(=NC(=N1)N)N)C#CC(C)C2=C(C=C(C=C2)C3=CC=NC=C3)Cl","UIPIXYKGGAAOQX-UHFFFAOYSA-N","155812243",NA,"PDBC27035","794222","Present"
-"5-[3-(2-Naphthyl)-3-oxo-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione","","","","","","","","","","","","","","","","","","","","5-[3-(2-Naphthyl)-3-oxo-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione","","C1=CC=C2C=C(C=CC2=C1)C(=O)CCC3C(=O)NC(=S)NC3=O","YBMIYGLVWJCHGU-UHFFFAOYSA-N","3004346",NA,"PDBC27036","647098","Present"
-"5-[3-(3,4,5-Triazatricyclo[5.2.1.02,6]dec-4-en-3-yl)buta-1,3-dien-2-yl]-3,4,5-triazatricyclo[5.2.1.02,6]dec-3-ene","","","","","","","","","","","","","","","","","","","","5-[3-(3,4,5-Triazatricyclo[5.2.1.02,6]dec-4-en-3-yl)buta-1,3-dien-2-yl]-3,4,5-triazatricyclo[5.2.1.02,6]dec-3-ene","","C=C(C(=C)N1C2C3CCC(C3)C2N=N1)N4C5C6CCC(C6)C5N=N4","PYAXCCCKTBSPGX-UHFFFAOYSA-N","365728",NA,"PDBC27037","633669","Present"
-"5-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]-1,3,4-thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","5-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]-1,3,4-thiadiazole-2-sulfonamide","","C1=CC(=C(C=C1NC(=O)NC(=S)NC2=NN=C(S2)S(=O)(=O)N)Cl)Cl","WRMIBVNYBCBNIH-UHFFFAOYSA-N","5470532",NA,"PDBC27038","702688","Present"
-"5-[3-(4-Chloro-phenyl)-5-oxo-1,5-diphenyl-pent-2-enylidene]-2-thioxo-thiazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-[3-(4-Chloro-phenyl)-5-oxo-1,5-diphenyl-pent-2-enylide...","","C1=CC=C(C=C1)C(=O)CC(=CC(=C2C(=O)NC(=S)S2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","CRSZQINWTRBXRQ-ADGFTTEDSA-N","11836081",NA,"PDBC27039","728227","Present"
-"5-[3-(4-Methoxyphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","5-[3-(4-Methoxyphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione","","COC1=CC=C(C=C1)C(=O)C#CC2=CNC(=O)NC2=O","YLIJJQODIVITAW-UHFFFAOYSA-N","359101",NA,"PDBC27040","619677","Present"
-"5-[3-(4-Methylphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","5-[3-(4-Methylphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione","","CC1=CC=C(C=C1)C(=O)C#CC2=CNC(=O)NC2=O","JZWZVSOIJFWBNH-UHFFFAOYSA-N","359100",NA,"PDBC27041","619676","Present"
-"5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]-1,3-diazinane-2,4,6-trione","","","","","","","","","","","","","","","","","","","","5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]pyrimidine-2,4,6(1h,3h,5h)-trione","","C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3C(=O)NC(=O)NC3=O","IKIDFIQJNLAKJU-UHFFFAOYSA-N","405071",NA,"PDBC27042","721952","Present"
-"5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione","","C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3C(=O)NC(=S)NC3=O","VMGYCUKCSCUHPE-UHFFFAOYSA-N","5472837",NA,"PDBC27043","721953","Present"
-"5-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylideneoxolan-2-one","","","","","","","","","","","","","","","","","","","","5-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylidenedihydrofuran-2(3h)-one","","CC1(CC(=C)C(=O)O1)C2=CC(=CC=C2)NC3=NC4=CC=CC=C4C5=C3C=CO5","SZYYPLJCVPVSAB-UHFFFAOYSA-N","404365",NA,"PDBC27044","720567","Present"
-"5-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoyl]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 5-[[3-[2-chloro-4-(4,6-...","","CCS(=O)(=O)O.CC1=C(C=C(C=C1)C(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F","ZHYMXINBDXGCEQ-UHFFFAOYSA-N","276185",NA,"PDBC27045","123468","Present"
-"5-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","o-Toluenesulfonyl fluoride, 5-[3-[3-[2-chloro-4-(4,6-dia...","","CCS(=O)(=O)O.CC1=C(C=C(C=C1)NC(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F","HWMUYDBDFSVLLU-UHFFFAOYSA-N","275433",NA,"PDBC27046","122291","Present"
-"5-[3-[Tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-iodo-1-methylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","5-[3-[Tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-iodo-1-methylpyrimidine-2,4-dione","","CC(C)(C)[Si](C)(C)OCC#CC1=C(N(C(=O)NC1=O)C)I","BOGZBXQONMIESW-UHFFFAOYSA-N","45028660",NA,"PDBC27047","743568","Present"
-"5-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-(1,3-dithiolan-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole","","","","","","","","","","","","","","","","","","","","5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-(1,3-dithiolan-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole","","CSC1=C(SC(=C2SC3=C(S2)SC(=C4SCCS4)S3)S1)SC","WDQXSEVUMALCBY-UHFFFAOYSA-N","392907",NA,"PDBC27048","694089","Present"
-"5-[4-(1,3-Benzoxazol-2-yl)phenyl]-2-furaldehyde","","","","","","","","","","","","","","","","","","","","5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-furaldehyde","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(O4)C=O","SJVICKIKPLOECS-UHFFFAOYSA-N","24203195",NA,"PDBC27049","727101","Present"
-"5-[4-(4-Aminophenyl)butyl]-6-methyl-pyrimidine-2,4-diamine; sulfuric acid","","","","","","","","","","","","","","","","","","","","5-[4-(4-Aminophenyl)butyl]-6-methyl-pyrimidine-2,4-diamine; sulfuric acid","","CC1=C(C(=NC(=N1)N)N)CCCCC2=CC=C(C=C2)N.OS(=O)(=O)O","XBUKMTOKOUUQQK-UHFFFAOYSA-N","309191",NA,"PDBC27050","211370","Present"
-"5-[4-(4-Carboxythiadiazol-5-yl)phenyl]thiadiazole-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-[4-(4-Carboxythiadiazol-5-yl)phenyl]thiadiazole-4-carboxylic acid","","C1=CC(=CC=C1C2=C(N=NS2)C(=O)O)C3=C(N=NS3)C(=O)O","FKLUDLBKVQQJJO-UHFFFAOYSA-N","274297",NA,"PDBC27051","120288","Present"
-"5-[4-(4-Nitrophenyl)butyl]pyrimidine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","5-[4-(4-Nitrophenyl)butyl]pyrimidine-2,4,6-triamine","","C1=CC(=CC=C1CCCCC2=C(N=C(N=C2N)N)N)[N+](=O)[O-]","ZULTXGJBOSJYDO-UHFFFAOYSA-N","309981",NA,"PDBC27052","212446","Present"
-"5-[4-(Diethylamino)-2-methylphenyl]iminoquinolin-8-one","","","","","","","","","","","","","","","","","","","","GCFYQFJLUQNCIB-UHFFFAOYSA-N","","CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=O)C3=C2C=CC=N3)C","GCFYQFJLUQNCIB-UHFFFAOYSA-N","364894",NA,"PDBC27053","631722","Present"
-"5-[4-(Dimethylamino)phenyl]-6-methyl-5H-benzo[h]cyclopenta[c]quinoline-11-ol","","","","","","","","","","","","","","","","","","","","17-[4-(Dimethylamino)phenyl]-16-methyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-ol","","CC1=C2C=CC=C2C3=C(N1C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5C(=C3)O","QRKFFGVOXUVELV-UHFFFAOYSA-N","402620",NA,"PDBC27054","716776","Present"
-"5-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylideneoxolan-2-one","","","","","","","","","","","","","","","","","","","","5-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylidenedihydrofuran-2(3h)-one","","CC1(CC(=C)C(=O)O1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C5=C3C=CO5","JAVZRWSGWYSQKU-UHFFFAOYSA-N","404361",NA,"PDBC27055","720563","Present"
-"5-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphthalene-2,3-diol","","","","","","","","","","","","","","","","","","","","5-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphthalene-2,3-diol","","C1C(C(OC1C2=CC=CC3=CC(=C(C=C32)O)O)CO)O","RXPQBQNHFXMGHD-UHFFFAOYSA-N","393545",NA,"PDBC27056","695607","Present"
-"5-[4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin","","","","","","","","","","","","","","","","","","","","5-{4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl}-10,15,20-tris(4-methylphenyl)porphyrin","","CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)OCC9COC(O9)(C)C)C=C4)C1=CC=C(C=C1)C)N3","GQTHTRCGPHVNJX-UHFFFAOYSA-N","135409215",NA,"PDBC27057","667504","Present"
-"5-[4-[5-Oxo-5-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]anilino]pentyl]piperazin-1-yl]-N-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]pentanamide","","","","","","","","","","","","","","","","","","","","5-[4-[5-Oxo-5-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]anilino]pentyl]piperazin-1-yl]-N-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]pentanamide","","C1CN(CCN1CCCCC(=O)NC2=CC=CC=C2C#CC=CC#CC3=CC=CC=C3C(F)(F)F)CCCCC(=O)NC4=CC=CC=C4C#CC=CC#CC5=CC=CC=C5C(F)(F)F","UGBVZIZUXREPOU-CCAGOZQPSA-N","24206046",NA,"PDBC27058","737785","Present"
-"5-[4-[[5-(Dimethylamino)-1,2,4-dithiazol-3-ylidene]amino]phenyl]imino-N,N-dimethyl-1,2,4-dithiazol-3-amine;hydrobromide","","","","","","","","","","","","","","","","","","","","5-[4-[[5-(Dimethylamino)-1,2,4-dithiazol-3-ylidene]amino]phenyl]imino-N,N-dimethyl-1,2,4-dithiazol-3-amine;hydrobromide","","CN(C)C1=NC(=NC2=CC=C(C=C2)N=C3N=C(SS3)N(C)C)SS1.Br","FDJWUEYSPGGHAY-UHFFFAOYSA-N","360469",NA,"PDBC27059","622602","Present"
-"5-[5-(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-[5-(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine","","CC1=CC=C(C=C1)NC2=NC(=C(S2)C3=NNC(C3)C4=CC=C(C=C4)OC)C","MMEVDWJRTLDSAD-UHFFFAOYSA-N","360113",NA,"PDBC27060","621967","Present"
-"5-[5-(5-Formyl-2-thienyl)-4-nonyl-2-thienyl]thiophene-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","5-[5-(5-Formyl-2-thienyl)-4-nonyl-2-thienyl]thiophene-2-carbaldehyde","","CCCCCCCCCC1=C(SC(=C1)C2=CC=C(S2)C=O)C3=CC=C(S3)C=O","JVKIVXFKFSYRTM-UHFFFAOYSA-N","383728",NA,"PDBC27061","672157","Present"
-"5-[5-(5-Formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","5-[5-(5-Formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde","","CCCC1=C(NC(=C1)C2=CC=C(S2)C3=CC(=C(N3)C=O)CCC)C=O","YAOVSUPVJPZTCX-UHFFFAOYSA-N","374810",NA,"PDBC27062","653147","Present"
-"5-[5-(5-Formylfuran-2-yl)-1-methylpyrrol-2-yl]furan-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","5-[5-(5-Formyl-2-furyl)-1-methyl-pyrrol-2-yl]furan-2-carbaldehyde","","CN1C(=CC=C1C2=CC=C(O2)C=O)C3=CC=C(O3)C=O","BNFCVDSGARMBAE-UHFFFAOYSA-N","396471",NA,"PDBC27063","702648","Present"
-"5-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]pentyl N-[6-[5-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]pentoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","5-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]pentyl N-[6-[5-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]pentoxycarbonylamino]hexyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCCCOC(=O)NCCCCCCNC(=O)OCCCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","STVRFCPWAHDRGL-UHFFFAOYSA-N","364414",NA,"PDBC27064","630667","Present"
-"5-[5-(Furan-2-yl)-1-methylpyrrol-2-yl]furan-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","5-[5-(2-Furyl)-1-methyl-pyrrol-2-yl]furan-2-carbaldehyde","","CN1C(=CC=C1C2=CC=C(O2)C=O)C3=CC=CO3","GENUADPBHHEMNF-UHFFFAOYSA-N","396470",NA,"PDBC27065","702647","Present"
-"5-[5-[(E)-(Carbamimidoylhydrazono)methyl]-4-nitro-2-(5-sulfo-2-furyl)-3-furyl]furan-2-sulfonic acid","","","","","","","","","","","","","","","","","","","","5-[5-[(E)-(Carbamimidoylhydrazono)methyl]-4-nitro-2-(5-sulfo-2-furyl)-3-furyl]furan-2-sulfonic acid","","C1=C(OC(=C1)S(=O)(=O)O)C2=C(OC(=C2[N+](=O)[O-])C=NN=C(N)N)C3=CC=C(O3)S(=O)(=O)O","YFNWGOKSQBGLEX-YAXRCOADSA-N","9571705",NA,"PDBC27066","647123","Present"
-"5-[5-[(E)-[3-(4-Bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]isoindole-1,3-dione","","","","","","","","","","","","","","","","","","","","(Z)-5-(5-((3-(4-bromophenyl)-2-imino-4-oxothiazolidin-5-...","","C1=CC(=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=CC5=C(C=C4)C(=O)NC5=O)SC2=N)Br","ULBOWKXOFOTCMU-JJIAOXALSA-N","118984477",NA,"PDBC27067","772975","Present"
-"5-[5-[5-[5-[5-[5-[5-(5-Formyl-3-hexylthiophen-2-yl)thiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde","","","","","","","","","","","","","","","","","","","","5-[5-[5-[5-[5-[5-[5-(5-Formyl-3-hexylthiophen-2-yl)thiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde","","CCCCCCC1=C(SC(=C1)C=O)C2=CC=C(S2)C3=C(C=C(S3)C4=CC=C(S4)C5=CC=C(S5)C6=CC(=C(S6)C7=CC=C(S7)C8=C(C=C(S8)C=O)CCCCCC)CCCCCC)CCCCCC","YTYIELVODNUYEQ-UHFFFAOYSA-N","396447",NA,"PDBC27068","702420","Present"
-"5-[6-(2-Sulfanylpyrimidin-5-yl)pyrazin-2-yl]pyrimidine-2-thiol","","","","","","","","","","","","","","","","","","","","5-[6-(2-Sulfanylpyrimidin-5-yl)pyrazin-2-yl]pyrimidine-2-thiol","","C1=C(C=NC(=S)N1)C2=CN=CC(=N2)C3=CNC(=S)N=C3","CRDRTRSSNGGNKW-UHFFFAOYSA-N","3005392",NA,"PDBC27069","695603","Present"
-"5-[6-Chloro-2-(3,4-dichloroanilino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol","","","","","","","","","","","","","","","","","","","","5-[6-Chloro-2-(3,4-dichloroanilino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol","","C1C(C(OC1N2C=NC3=C2N=C(N=C3Cl)NC4=CC(=C(C=C4)Cl)Cl)CO)O","HEEANCXZTNZIAU-UHFFFAOYSA-N","388056",NA,"PDBC27070","682517","Present"
-"5-[7-(3-Amino-1H-1,2,4-triazol-5-yl)heptyl]-1H-1,2,4-triazol-3-amine","","","","","","","","","","","","","","","","","","","","5,5'-Heptane-1,7-diylbis(1H-1,2,4-triazol-3-amine)","","C(CCCC1=NC(=NN1)N)CCCC2=NC(=NN2)N","JVHWVLLANDAWPO-UHFFFAOYSA-N","366788",NA,"PDBC27071","635561","Present"
-"5-[8-(5-Anilino-1,3,4-oxadiazol-2-yl)octyl]-N-phenyl-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-[8-(5-Anilino-1,3,4-oxadiazol-2-yl)octyl]-N-phenyl-1,3,4-oxadiazol-2-amine","","C1=CC=C(C=C1)NC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)NC4=CC=CC=C4","KOLVFVFSNLNQRA-UHFFFAOYSA-N","394052",NA,"PDBC27072","697170","Present"
-"5-[8-[5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl]octyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-[8-[5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl]octyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine","","C1=CC(=CC=C1NC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)NC4=CC=C(C=C4)Cl)Cl","KYVCZCCWTQKSBB-UHFFFAOYSA-N","394053",NA,"PDBC27073","697171","Present"
-"5-[8-[5-(4-Methoxyanilino)-1,3,4-oxadiazol-2-yl]octyl]-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-[8-[5-(4-Methoxyanilino)-1,3,4-oxadiazol-2-yl]octyl]-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine","","COC1=CC=C(C=C1)NC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)NC4=CC=C(C=C4)OC","OSQBFHMCMRDQSN-UHFFFAOYSA-N","394054",NA,"PDBC27074","697172","Present"
-"5-[8-[5-(Diethylamino)-1,3,4-oxadiazol-2-yl]octyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-[8-[5-(Diethylamino)-1,3,4-oxadiazol-2-yl]octyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine","","CCN(CC)C1=NN=C(O1)CCCCCCCCC2=NN=C(O2)N(CC)CC","HDJZWHOILBVXON-UHFFFAOYSA-N","394063",NA,"PDBC27075","697181","Present"
-"5-[Allyl(methylsulfonyl)amino]-7-methoxy-3-methyl-4-nitro-1H-indole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-[Allyl(methylsulfonyl)amino]-7-methoxy-3-methyl-4-nitro-1H-indole-2-carboxylic acid","","CC1=C(NC2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OC)C(=O)O","OSBSDMZZNGLDLL-UHFFFAOYSA-N","393317",NA,"PDBC27076","694982","Present"
-"5-[Benzimidazol-2-ylidene-(4-chlorophenyl)methyl]-3-(4-chlorophenyl)furan-2,4-diol","","","","","","","","","","","","","","","","","","","","5-[Benzimidazol-2-ylidene-(4-chlorophenyl)methyl]-3-(4-chlorophenyl)furan-2,4-diol","","C1=CC2=NC(=C(C3=CC=C(C=C3)Cl)C4=C(C(=C(O4)O)C5=CC=C(C=C5)Cl)O)N=C2C=C1","YUDKMARDGBEHPH-UHFFFAOYSA-N","359853",NA,"PDBC27077","621470","Present"
-"5-[Bis(2-chloroethyl)amino]-2,4-dinitrobenzonitrile","","","","","","","","","","","","","","","","","","","","HGQCWSSCAYOKJM-UHFFFAOYSA-N","","C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C#N","HGQCWSSCAYOKJM-UHFFFAOYSA-N","372566",NA,"PDBC27078","647928","Present"
-"5-[Bis(2-hydroxyethyl)amino]-2,4-dinitrobenzamide","","","","","","","","","","","","","","","","","","","","5-[Bis(2-hydroxyethyl)amino]-2,4-dinitrobenzamide","","C1=C(C(=CC(=C1N(CCO)CCO)[N+](=O)[O-])[N+](=O)[O-])C(=O)N","PSYZNANYYIHBSV-UHFFFAOYSA-N","371870",NA,"PDBC27079","646393","Present"
-"5-[Bis(4-chlorophenyl)methyl]pyrimidine","","","","","","","","","","","","","","","","","","","","5-[Bis(4-chlorophenyl)methyl]pyrimidine","","C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C3=CN=CN=C3)Cl","FOQIAMHLCXUKND-UHFFFAOYSA-N","160135",NA,"PDBC27080","626917","Present"
-"5-[Bis[[2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-2,3-dihydrochromen-5-yl]oxy]alumanyloxy]-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one","","","","","","","","","","","","","","","","","","","","5-[Bis[[2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-2,3-dihydrochromen-5-yl]oxy]alumanyloxy]-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one","","","","",NA,"PDBC27081","626809","Present"
-"5-[D-ribo-tetritol-1-yl]tetrazole","","","","","","","","","","","","","","","","","","","","5-[D-ribo-tetritol-1-yl]tetrazole","","C(C(C(C(C1=NNN=N1)O)O)O)O","AQAONKSLRDMVDP-UHFFFAOYSA-N","361310",NA,"PDBC27082","624281","Present"
-"5-[Imidazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]-2-methoxyphenol","","","","","","","","","","","","","","","","","","","","5-((1H-imidazol-1-yl)(3,4,5-trimethoxyphenyl)methyl)-2-m...","","COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C=CN=C3)O","ICUDMRHVAJJLPT-UHFFFAOYSA-N","155811914",NA,"PDBC27083","788806","Present"
-"5-[N-[(2,5-Dimethoxyphenyl)methyl]amino]-N-(4-fluorophenethyl)salicylamide","","","","","","","","","","","","","","","","","","","","5-[N-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4- fluorophe...","","COC1=CC(=C(C=C1)OC)CNC2=CC(=C(C=C2)O)C(=O)NCCC3=CC=C(C=C3)F","JDIAZOCYHZJULP-UHFFFAOYSA-N","403658",NA,"PDBC27084","718726","Present"
-"5-[N-[(2,5-Dimethoxyphenyl)methyl]amino]-N-(hexyl)salicylamide","","","","","","","","","","","","","","","","","","","","5-[N-[(2,5-Dimethoxyphenyl)methyl]amino]-N-(hexyl)salicy...","","CCCCCCNC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)OC)OC)O","PQRHOBFXXKAAHE-UHFFFAOYSA-N","403339",NA,"PDBC27085","718129","Present"
-"5-[[(1S,2S,4R,7E,11S)-4-Methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonyl]thiophene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","5-((((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC=C(S4)C(=O)O","YUTUBEIYJQUWFT-BTBCRLFNSA-N","155806444",NA,"PDBC27086","801809","Present"
-"5-[[(Dimethylamino)sulfonyl]amino]-1,3,4-thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","5-[(Dimethylsulfamoyl)amino]-1,3,4-thiadiazole-2-sulfonamide","","CN(C)S(=O)(=O)NC1=NN=C(S1)S(=O)(=O)N","OXCKOUMFAKPIEL-UHFFFAOYSA-N","395819",NA,"PDBC27087","700711","Present"
-"5-[[1-Benzyl-2-[[1-benzyl-2-[2-[[1-[(1-carbamoyl-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-4-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid","","","","","","","","","","","","","","","","","","","","5-[[1-[[1-[2-[[1-[(1-Amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[(2-methylpr","","CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)OC(C)(C)C","GVSFIWOOZCIFDJ-UHFFFAOYSA-N","372507",NA,"PDBC27088","647623","Present"
-"5-[[2-Amino-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-4-oxo-3-[5-[(2,2,2-trifluoroacetyl)amino]-1,3-oxazol-2-yl]pentanoic acid;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","5-[[2-Amino-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-4-oxo-3-[5-[(2,2,2-trifluoroacetyl)amino]-1,3-oxazol-2-yl]pentanoic acid;2,2,2-trifluoroacetic acid","","C1=CC(=CC=C1CC(C(=O)NCC(=O)C(CC(=O)O)C2=NC=C(O2)NC(=O)C(F)(F)F)N)N=C(N)N.C(=O)(C(F)(F)F)O","ICEMUIUKMSRAMD-UHFFFAOYSA-N","388725",NA,"PDBC27089","683780","Present"
-"5-[[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]amino]-5-oxo-pentanoic acid","","","","","","","","","","","","","","","","","","","","5-[[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]amino]-5-oxo-pentanoic acid","","C1=CC(=CC=C1CC2=NNC(=O)N2NC(=O)CCCC(=O)O)Cl","FUYMQVSRCVCZBO-UHFFFAOYSA-N","388166",NA,"PDBC27090","682730","Present"
-"5-[[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-[[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one","","C1=CC=C(C=C1)N2C(=O)C(NC2=S)N=NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4","RODJQCVRNFGTPL-UHFFFAOYSA-N","5472216",NA,"PDBC27091","716953","Present"
-"5-[[4-(1H-Benzimidazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one","","","","","","","","","","","","","","","","","","","","5-[[4-(1H-Benzimidazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one","","C1=CC=C(C=C1)N2C(=O)C(NC2=S)N=NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4","QMUGGXLNDVCLRQ-UHFFFAOYSA-N","5472217",NA,"PDBC27092","716954","Present"
-"5-[[4-(Dimethylamino)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione","","","","","","","","","","","","","","","","","","","","5-[[4-(Dimethylamino)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione","","CN(C)C1=CC=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O","RINKBXGSJOUDMJ-UHFFFAOYSA-N","5471689",NA,"PDBC27093","713071","Present"
-"5-[[4-(Hydrazinecarbonyl)-1H-triazol-5-yl]disulfanyl]-1H-triazole-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","5-[[4-(Hydrazinecarbonyl)-1H-triazol-5-yl]disulfanyl]-1H-triazole-4-carbohydrazide","","C1(=NNN=C1SSC2=NNN=C2C(=O)NN)C(=O)NN","MWQHRZUAGUQBFP-UHFFFAOYSA-N","389967",NA,"PDBC27094","686669","Present"
-"5-[[4-[5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-[[4-[5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine","","C1=CC(=CC=C1C2=NN=C(O2)NC3=CC=C(C=C3)Cl)NCC4=NN=C(O4)NC5=CC=C(C=C5)Cl","SXATZVSGEAKOQZ-UHFFFAOYSA-N","394023",NA,"PDBC27095","697141","Present"
-"5-[[4-[5-(4-Chloroanilino)-1,3,4-thiadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine","","","","","","","","","","","","","","","","","","","","5-[[4-[5-(4-Chloroanilino)-1,3,4-thiadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine","","C1=CC(=CC=C1C2=NN=C(S2)NC3=CC=C(C=C3)Cl)NCC4=NN=C(S4)NC5=CC=C(C=C5)Cl","JYDDTOOZFMTZFW-UHFFFAOYSA-N","394022",NA,"PDBC27096","697140","Present"
-"5-[[8-Hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 5,5'-methylenebis-[7-[4-(4-morpholinyl)-1-...","","C1CN(CCC1N2CCOCC2)CC3=C(C4=C(C=CC=N4)C(=C3)CC5=CC(=C(C6=C5C=CC=N6)O)CN7CCC(CC7)N8CCOCC8)O","VOBPUGIZLFJMNP-UHFFFAOYSA-N","155815081",NA,"PDBC27097","782203","Present"
-"5-[[8-Hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 5,5'-methylenebis-[7-([1,4'-bipiperidin]-1...","","C1CCN(CC1)C2CCN(CC2)CC3=C(C4=C(C=CC=N4)C(=C3)CC5=CC(=C(C6=C5C=CC=N6)O)CN7CCC(CC7)N8CCCCC8)O","AIIYOMHOSBKINL-UHFFFAOYSA-N","155807231",NA,"PDBC27098","782967","Present"
-"5-alpha-Androstano[3,2',5'-oxadiazol-17-ol","","","","","","","","","","","","","","","","","","","","5-.alpha.-Androstano[3,4-c]-1',2',5'-oxadiazol-17-ol","","CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC5O)C","HEWFXMGRSGPGII-KBJSFYQCSA-N","364569",NA,"PDBC27099","631056","Present"
-"5-alpha-Androstano[3,2',5'-oxadiazol-17-one","","","","","","","","","","","","","","","","","","","","5-.alpha.-Androstano[3,4-c]-1',2',5'-oxadiazol-17-one","","CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC5=O)C","OMBINTHJBCXOOE-QQTXUMRFSA-N","364570",NA,"PDBC27100","631057","Present"
-"5-amino-2-glyceryl-1,2,4-thiadiazol-3-one","","","","","","","","","","","","","","","","","","","","5-amino-2-glyceryl-1,2,4-thiadiazol-3-one","","C(C(CO)O)N1C(=O)N=C(S1)N","BTQHPUJKFFDNBR-UHFFFAOYSA-N","358985",NA,"PDBC27101","619192","Present"
-"5-beta-Androstano[3,2',5'-oxadiazol-17-ol","","","","","","","","","","","","","","","","","","","","5-.beta.-Androstano[3,4-c]-1',2',5'-oxadiazol-17-ol","","CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC5O)C","HEWFXMGRSGPGII-XZPCSCFQSA-N","364568",NA,"PDBC27102","631055","Present"
-"5-beta-Androstano[3,2',5'-oxadiazol-17-one","","","","","","","","","","","","","","","","","","","","5-.beta.-Androstano[3,4-c]-1',2',5'-oxadiazol-17-one","","CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC5=O)C","OMBINTHJBCXOOE-UCYJMDMXSA-N","364571",NA,"PDBC27103","631058","Present"
-"5-bromo-indirubin-3'-oxime","","","","","","","","","","","","","","","","","","","","5-bromo-indirubin-3'-oxime","","C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)Br)O)N=O","YSIKXXBSGNCIBA-UHFFFAOYSA-N","135580426",NA,"PDBC27104","737348","Present"
-"5-cyano-6-methoxycarbonylmethylthio-2-methyl-4-phenylami...","","","","","","","","","","","","","","","","","","","","5-cyano-6-methoxycarbonylmethylthio-2-methyl-4-phenylami...","","CC1=NC2=C(C(=C(N2)SCC(=O)OC)C#N)C(=N1)NC3=CC=CC=C3","ZJCQUMQRLSYNPD-UHFFFAOYSA-N","5465777",NA,"PDBC27105","661174","Present"
-"5-hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone","","","","","","","","","","","","","","","","","","","","5-hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone","","COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)O","KZBUZACVMLEHTG-UHFFFAOYSA-N","5466137",NA,"PDBC27106","678102","Present"
-"5-hydroxy-dehydroiso-.alpha.-lapachone","","","","","","","","","","","","","","","","","","","","5-hydroxy-dehydroiso-.alpha.-lapachone","","CC(=C)C1CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O","IBEJQTNPERQUOA-UHFFFAOYSA-N","392175",NA,"PDBC27107","692229","Present"
-"5-li-o-me-3, 2-hopo","","","","","","","","","","","","","","","","","","","","5-li-o-me-3, 2-hopo","","CN1C=CC(=C(C1=O)O)C(=O)NCCOCCNC(=O)C2=C(C(=O)N(C=C2)C)O","UJBLQXIGCCWUTB-UHFFFAOYSA-N","391980",NA,"PDBC27108","691702","Present"
-"5-p-Tolylamino-[1,3,4]thiadiazole-2-thiol","","","","","","","","","","","","","","","","","","","","STK597741","","CC1=CC=C(C=C1)NC2=NNC(=S)S2","UDHJCFUNVNFOLP-UHFFFAOYSA-N","707007",NA,"PDBC27109","135812","Present"
-"5-{[(2-Aminophenyl)sulfanyl]methyl}-4-(hydroxymethyl)-2-methylpyridin-3-ol","","","","","","","","","","","","","","","","","","","","5-{[(2-Aminophenyl)sulfanyl]methyl}-4-(hydroxymethyl)-2-...","","CC1=NC=C(C(=C1O)CO)CSC2=CC=CC=C2N","ZXSKDEJJCMMJHS-UHFFFAOYSA-N","330508",NA,"PDBC27110","319443","Present"
-"5-{[(2-Nitrophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","5-{[(2-Nitrophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide","","C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","CTLJHLYIILERNX-UHFFFAOYSA-N","395818",NA,"PDBC27111","700710","Present"
-"5-{[(3-Aminophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide","","","","","","","","","","","","","","","","","","","","5-{[(3-Aminophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide","","C1=CC(=CC(=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)N","ZAVXXOXJXNKOFP-UHFFFAOYSA-N","395816",NA,"PDBC27112","700708","Present"
-"5-{[(5-Amino-4H-1,2,4-triazol-3-yl)amino]sulfonyl}-2-chloro-4-mercaptophenyl acetate","","","","","","","","","","","","","","","","","","","","5-{[(5-Amino-4H-1,2,4-triazol-3-yl)amino]sulfonyl}-2-chloro-4-mercaptophenyl acetate","","CC(=O)OC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)N","UOBAWPMUUPBNQQ-UHFFFAOYSA-N","380934",NA,"PDBC27113","666720","Present"
-"5-{[3-(Dimethylamino)propyl]amino}-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one","","","","","","","","","","","","","","","","","","","","8H-thieno[2'3':4,5]pyrimido[2,1-a]phthalazin-8-one,5-[[3...","","CC1=C(SC2=C1C(=O)N3C(=N2)C4=CC=CC=C4C(=N3)NCCCN(C)C)C","WFIFNWRTUCZOSC-UHFFFAOYSA-N","1587482",NA,"PDBC27114","749169","Present"
-"5.alpha.,25D-Spirostan-3.beta.-ol glycoside","","","","","","","","","","","","","","","","","","","","5.alpha.,25D-Spirostan-3.beta.-ol glycoside","","","","",NA,"PDBC27115","106557","Present"
-"52:48 Diastereomeric mixture of (R)-(-)-and (S)-(+)-1,2'-diyl phosphate-(S)-dioxolane","","","","","","","","","","","","","","","","","","","","52:48 Diastereomeric mixture of (R)-(-)- and (S)-(+)-1,1...","","CC1(OCC(O1)COCOP2(=O)OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65)C","KXPGMHLQVJTJDD-FQEVSTJZSA-N","6712147",NA,"PDBC27116","657559","Present"
-"5A-hydroxy-variamycin","","","","","","","","","","","","","","","","","","","","5A-hydroxy-variamycin","","CC1C(C(CC(O1)OC2CC(OC(C2O)(C)O)OC3=CC(=C4C(=C3)C=C5CC(C(C(=O)C5=C4O)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC)C(C(=O)C(C(C)O)O)OC)O)O)O","AFBLEIALHXCARD-XBMXWKDQSA-N","155812111",NA,"PDBC27117","783300","Present"
-"5Abeta-Amino-10bbeta-(4-chlorophenyl)benzofuro[2,3-b]benzofuran-1,3,8,10-tetrol","","","","","","","","","","","","","","","","","","","","5a-Amino-10b-(4-chlorophenyl)-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrol","","C1=CC(=CC=C1C23C4=C(C=C(C=C4OC2(OC5=CC(=CC(=C35)O)O)N)O)O)Cl","GCKOUNXPRLOQKM-UHFFFAOYSA-N","402483",NA,"PDBC27118","716509","Present"
-"5DRM2M95C9","","","","","","","","","","","","","","","","","","","","5DRM2M95C9","","CC1=CC(=C(C=C1NC(=O)NC2=CC=CC3=CC=CC=C32)C(C)C)O","MPLDEKGOOJUJBT-UHFFFAOYSA-N","233722",NA,"PDBC27119","32673","Present"
-"5G-402S","","","","","","","","","","","","","","","","","","","","5G-402S","","CN1C(=NNC1=S)C2=CSC(=N2)C3=CC=C(C=C3)Cl","BHEODMWSZHOYFQ-UHFFFAOYSA-N","1478814",NA,"PDBC27120","669083","Present"
-"5H,17H-6,10:18,22-Diepiazenobis[1,3]dithiolo[4,5-b:4',5'-m][1,4,12,15]tetrathiacyclodocosine-2,14-dithione","","","","","","","","","","","","","","","","","","","","3,5,7,9,17,19,21,23-Octathia-29,30-diazapentacyclo[23.3.1.111,15.04,8.018,22]triaconta-1(29),4(8),11(30),12,14,18(22),25,27-octaene-6,20-dithione","","C1C2=NC(=CC=C2)CSC3=C(SCC4=CC=CC(=N4)CSC5=C(S1)SC(=S)S5)SC(=S)S3","YDZZZIXNBGLFEL-UHFFFAOYSA-N","380598",NA,"PDBC27121","666273","Present"
-"5H-Benzimidazo[2',1':5,1]pyrrolo[2,3-b]quinoxalin-6-yl 4-methylphenyl sulfone","","","","","","","","","","","","","","","","","","","","11-(4-Methylphenyl)sulfonyl-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3,5,7,9,11,14,16,18-nonaene","","CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=NC4=CC=CC=C4N3)N5C2=NC6=CC=CC=C65","WYXPLVWHZHJPSA-UHFFFAOYSA-N","375030",NA,"PDBC27122","653856","Present"
-"5H-Benzo[a]carbazole, 6,6a-dihydro-6a-methyl-","","","","","","","","","","","","","","","","","","","","5H-Benzo[a]carbazole, 6,6a-dihydro-6a-methyl-","","CC12CCC3=CC=CC=C3C1=NC4=CC=CC=C24","WFIZSUJJRAIXMS-UHFFFAOYSA-N","338174",NA,"PDBC27123","359416","Present"
-"5H-Benzo[a]naphtho[2,3-c]carbazole-6,9,10,15-tetrone","","","","","","","","","","","","","","","","","","","","5H-Benzo[a]naphtho[2,3-c]carbazole-6,9,10,15-tetrone","","C1=CC=C2C(=C1)C(=O)C3=C4C(=O)C=CC(=O)C4=C5C(=C3C2=O)C6=CC=CC=C6N5","MEONYDMMNHPUSF-UHFFFAOYSA-N","379252",NA,"PDBC27124","663666","Present"
-"5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-((dimethylamino)methyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-[(dimeth...","","CN(C)CC1CCCC2=CC=CC=C2C1=O.Cl","ZFOGITLYBBBXIO-UHFFFAOYSA-N","378641",NA,"PDBC27125","661440","Present"
-"5H-Benzocyclohepten-5-one,6,6,9-tetrabromo-6,7,8,9-tetrahydro-1,2-dimethoxy-","","","","","","","","","","","","","","","","","","","","5H-Benzocyclohepten-5-one, 3,6,6,9-tetrabromo-6,7,8,9-te...","","COC1=C(C=C2C(=C1OC)C(CCC(C2=O)(Br)Br)Br)Br","VBTGTZGFJOETGJ-UHFFFAOYSA-N","402671",NA,"PDBC27126","716857","Present"
-"5H-Chromeno[4,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","AX8270866","","C1C2=CN=C(N=C2C3=CC=CC=C3O1)N","AUYGNXXTXGESQL-UHFFFAOYSA-N","358186",NA,"PDBC27127","618062","Present"
-"5H-Chromeno[4,3-d]pyrimidin-2-ylhydrazine","","","","","","","","","","","","","","","","","","","","5H-Chromeno[4,3-d]pyrimidin-2-ylhydrazine","","C1C2=CN=C(N=C2C3=CC=CC=C3O1)NN","TVQAFPBXOHYWOP-UHFFFAOYSA-N","390586",NA,"PDBC27128","688109","Present"
-"5H-Dibenzo(c,e)azepin-7-yl methyl ether","","","","","","","","","","","","","","","","","","","","ZVC7Y2ONI6","","COC1=NCC2=CC=CC=C2C3=CC=CC=C31","ZTLUWHCBZWFNAF-UHFFFAOYSA-N","375835",NA,"PDBC27129","656083","Present"
-"5H-Dibenzo[a,c]cyclohepten-5-one","","","","","","","","","","","","","","","","","","","","5H-Dibenzo[a,c]cyclohepten-5-one","","C1=CC=C2C(=C1)C=CC(=O)C3=CC=CC=C23","WJFOWHGZSALYEC-UHFFFAOYSA-N","138252",NA,"PDBC27130","647348","Present"
-"5H-Dibenzo[a,c]cyclohepten-5-one, 6,6'-thiobis[7-hydroxy-","","","","","","","","","","","","","","","","","","","","7-hydroxy-6-(7-hydroxy-5-oxo-dibenzo[[?],[?]][7]annulen-6-yl)sulfanyl-dibenzo[[?],[?]][7]annulen-5-one","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C(=C2O)SC4=C(C5=CC=CC=C5C6=CC=CC=C6C4=O)O","LLNGOGFIWWJSKT-UHFFFAOYSA-N","363012",NA,"PDBC27131","627551","Present"
-"5H-Dibenzo[a,d]cyclohepten-5-imine, 10,11-dibromo-10,11-dihydro-N-(benzoyloxy)-","","","","","","","","","","","","","","","","","","","","5H-Dibenzo[a,d]cyclohepten-5-imine, 10,11-dibromo- 10,11...","","C1=CC=C(C=C1)C(=O)ON=C2C3=CC=CC=C3C(C(C4=CC=CC=C42)Br)Br","SGJHKIINOHKVDO-UHFFFAOYSA-N","382531",NA,"PDBC27132","670140","Present"
-"5H-Dibenzo[a,d]cyclohepten-5-one, O-(3,5-dinitrobenzoyl)oxime","","","","","","","","","","","","","","","","","","","","(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino) 3,5-dinitrobenzoate","","C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=NOC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","ITXOZHOBMMSJGQ-UHFFFAOYSA-N","382530",NA,"PDBC27133","670139","Present"
-"5H-Dibenzo[a,d]cyclohepten-5-one, O-benzoyloxime","","","","","","","","","","","","","","","","","","","","[(5H-Dibenzo[a,d][7]annulen-5-ylideneamino)oxy](phenyl)m...","","C1=CC=C(C=C1)C(=O)ON=C2C3=CC=CC=C3C=CC4=CC=CC=C42","BEWKLHRGXSTHLT-UHFFFAOYSA-N","382529",NA,"PDBC27134","670138","Present"
-"5H-Furo[3,N-(4-chlorophenyl)-4-methoxy-7-methyl-5-oxo-","","","","","","","","","","","","","","","","","","","","5H-Furo[3,2-g][1]benzopyran-9-sulfonamide,N-(4-chlorophe...","","CC1=CC(=O)C2=C(C3=C(C(=C2O1)S(=O)(=O)NC4=CC=C(C=C4)Cl)OC=C3)OC","CLUFRRPRAOMTNL-UHFFFAOYSA-N","360205",NA,"PDBC27135","622182","Present"
-"5H-Imidazo[2,1-c]-1,2,4-triazol-5-one, 6,6'-[2-(4-methylphenyl)-2-oxoethylidene]bis[2,3-dihydro-3-imino-","","","","","","","","","","","","","","","","","","","","2,2-Bis(5-hydroxy-3-iminoimidazo[2,1-c][1,2,4]triazol-6-yl)-1-(4-methylphenyl)ethanone","","CC1=CC=C(C=C1)C(=O)C(C2=C(N3C(=N)N=NC3=N2)O)C4=C(N5C(=N)N=NC5=N4)O","PYOCCGVFZDBKDC-UHFFFAOYSA-N","135465319",NA,"PDBC27136","636364","Present"
-"5H-Naphtho[1,8-bc]furan-5-one, 3-bromo-2-phenyl-","","","","","","","","","","","","","","","","","","","","5H-Naphtho[1,8-bc]furan-5-one, 3-bromo-2-phenyl-","","C1=CC=C(C=C1)C2=C3C(=CC(=O)C4=C3C(=CC=C4)O2)Br","LJELLXTWQHVQOY-UHFFFAOYSA-N","363561",NA,"PDBC27137","628525","Present"
-"5H-Naphtho[1,8-cd]isoxazol-5-one","","","","","","","","","","","","","","","","","","","","5H-Naphtho[1,8-cd]isoxazol-5-one","","C1=CC2=C3C(=NOC3=C1)C=CC2=O","WCUMLMAZEJZTNF-UHFFFAOYSA-N","363037",NA,"PDBC27138","627581","Present"
-"5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 12-phenyl-","","","","","","","","","","","","","","","","","","","","5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 12-phenyl-","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O","SYFDLZWAZARVCW-UHFFFAOYSA-N","369536",NA,"PDBC27139","641393","Present"
-"5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 7,12-dimethyl-","","","","","","","","","","","","","","","","","","","","5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 7,12-dimethyl-","","CC1=CC2=C(C3=C1C4=CC=CC=C4N3C)C(=O)C5=CC=CC=C5C2=O","ZKRIFSYYGXRUKH-UHFFFAOYSA-N","367128",NA,"PDBC27140","636515","Present"
-"5H-Naphtho[2,3-c][1]benzazepine-6,13-dione","","","","","","","","","","","","","","","","","","","","5H-Naphtho[2,3-c][1]benzazepine-6,13-dione","","C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC=CC=C4NC3=O","VYDOFBFPAMJVGT-UHFFFAOYSA-N","386348",NA,"PDBC27141","678131","Present"
-"5H-Phenophosphazinin-10-ium 10-oxide","","","","","","","","","","","","","","","","","","","","5H-Phenophosphazinine 10-oxide","","C1=CC=C2C(=C1)NC3=CC=CC=C3[P+]2=O","WVJYJWXHKMQMNR-UHFFFAOYSA-N","6328834",NA,"PDBC27142","666488","Present"
-"5H-Pyridazino[4,5-b]pyrido[3,2-e][1,4]thiazine","","","","","","","","","","","","","","","","","","","","2-Thia-4,9,12,13-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene","","C1=CC2=C(N=C1)SC3=CN=NC=C3N2","YDMLYGAOOMFOBJ-UHFFFAOYSA-N","353134",NA,"PDBC27143","600293","Present"
-"5H-Pyrido(2,3-e)(1,3,4)triazepin-5-one, 3,4-dihydro-2-amino-","","","","","","","","","","","","","","","","","","","","1H-Pyrido[2,3-e][1,2,4][triazepin-1-one, 4-amino-2,3-dih...","","C1=CC2=C(N=C1)N=C(NNC2=O)N","RPMPHAQTRSNDFR-UHFFFAOYSA-N","379035",NA,"PDBC27144","662797","Present"
-"5H-Pyrido[1',2]pyrimido[4,5-b]indol-11-ium, 5-methyl-12-phenyl-","","","","","","","","","","","","","","","","","","","","5H-Pyrido[1',2':1,2]pyrimido[4,5-b]indol-11-ium, 5-methy...","","CN1C2=CC=CC=C2C3=C([N+]4=CC=CC=C4N=C31)C5=CC=CC=C5.[I-]","VWOLWYNLNFHEGM-UHFFFAOYSA-M","405264",NA,"PDBC27145","722417","Present"
-"5H-Pyrido[3,4]benzothiazine-5-ethanol, acetate (ester)","","","","","","","","","","","","","","","","","","","","5H-Pyrido[3,4-b][1,4]benzothiazine-5-ethanol, acetate (e...","","CC(=O)OCCN1C2=C(C=NC=C2)SC3=CC=CC=C31","OFVSUBFHWAFLLQ-UHFFFAOYSA-N","297252",NA,"PDBC27146","168221","Present"
-"5H-Pyrido[4, N,N-dimethyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","5H-Pyrido[4,3-b]indole-5-propanamine, N,N-dimethyl-, dih...","","CN(C)CCCN1C2=C(C=NC=C2)C3=CC=CC=C31.Cl","NMERBBLUUADMSQ-UHFFFAOYSA-N","54600354",NA,"PDBC27147","162908","Present"
-"5H-Pyrrolizine-1, 6,7-dihydro-3-[[(1-oxobutoxy)methyl]-3-pyridinyl]-, bis(methylethyl)carbamate (diester), iodide","","","","","","","","","","","","","","","","","","","","Pyridinium, 1-[(1-oxobutoxy)methyl]-3-[6,7-dihydro- 1,2-...","","CCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","USPDFCXDRPWMNH-UHFFFAOYSA-N","376896",NA,"PDBC27148","658082","Present"
-"5H-Pyrrolizine-1, 6,7-dihydro-3-[[(1-oxooctyoxy)methyl]-3-pyridinyl]-, bis(methylethyl)carbamate (diester), iodide","","","","","","","","","","","","","","","","","","","","Pyridinium, 1-[(1-oxooctyloxy)methyl]-3-[6,7-dihydro- 1,...","","CCCCCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","WGZOQHDMUWXJDQ-UHFFFAOYSA-N","376902",NA,"PDBC27149","658086","Present"
-"5H-Quinindoline","","","","","","","","","","","","","","","","","","","","5H-Quinindoline","","C1=CC=C2C(=C1)C=C3C4=CC=CC=C4NC3=N2","RDFSPMPXDYGXHP-UHFFFAOYSA-N","67484",NA,"PDBC27150","687969","Present"
-"5H-Quino[6,8-ij][2,7]naphthridin-5-one","","","","","","","","","","","","","","","","","","","","5H-Quino[6,7,8-ij][2,7]naphthridin-5-one","","C1=CC2=C(C3=NC=CC4=C3C(=NC=C4)C2=O)N=C1","PBFIHLLASGHCTR-UHFFFAOYSA-N","388734",NA,"PDBC27151","683788","Present"
-"5H-[1,6]Indeno[1,2-c]-isoquinoline-5,12(6H)-dione, 2,3-dimethoxy-6-(3-hydroxypropyl)-","","","","","","","","","","","","","","","","","","","","6-[(3-Hydroxy)-1-propyl]-5,6-dihydro-2,3-dimethoxy-8,9-m...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCO)OC","HVTQWKTVUPZVQA-UHFFFAOYSA-N","45027851",NA,"PDBC27152","728091","Present"
-"5H-[1]Benzopyrano[2, 7-methoxy-1-methyl-5-oxo-, iodide","","","","","","","","","","","","","","","","","","","","5H-[1]Benzopyrano[2,3-b]pyridinium, 7-methoxy-1-methyl- ...","","C[N+]1=CC=CC2=C1OC3=C(C2=O)C=C(C=C3)OC.[I-]","FHIBHBGGRLYSHO-UHFFFAOYSA-M","355175",NA,"PDBC27153","608362","Present"
-"5T-0260","","","","","","","","","","","","","","","","","","","","5T-0260","","COC1=CC=CC(=C1)C=C2CCCC3=CC=CC=C3C2=O","NALDNRRPUWIPLG-FOWTUZBSSA-N","5469390",NA,"PDBC27154","687668","Present"
-"5T-0302","","","","","","","","","","","","","","","","","","","","5T-0302","","CN(C)C1=CC=C(C=C1)C=C2CCCC3=CC=CC=C3C2=O","VWPPUIVJOSQTOP-SAPNQHFASA-N","1427939",NA,"PDBC27155","687676","Present"
-"5[(2,5Dimethoxybenzylidene)amino]-3-hydroxyguanidine tosylate","","","","","","","","","","","","","","","","","","","","NSC630964","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C=C1)OC)C=NN=C(N)NO","HNKQEJNAKOXFAD-WXIWBVQFSA-N","9570008",NA,"PDBC27156","630964","Present"
-"5[(4-Hydroxy)-benzyliden]-2-phenylimino-3-propyl-4-thyazolid inone","","","","","","","","","","","","","","","","","","","","5[(4-hydroxy)-benzyliden]-2-phenylimino-3-propyl-4-thyaz...","","CCCN1C(=O)C(=CC2=CC=C(C=C2)O)SC1=NC3=CC=CC=C3","JIVJBHXMEOLWQZ-KLAKZEAMSA-N","24203565",NA,"PDBC27157","728574","Present"
-"5[2-(3,2-b]In dol-10-one","","","","","","","","","","","","","","","","","","","","5[2-(3,4-Dimethoxyphenyl)ethyl]-9-hydroxy-5H-indeno[1,2-...","","COC1=C(C=C(C=C1)CCN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O)OC","ZYFLRTZQQARDEX-UHFFFAOYSA-N","24204670",NA,"PDBC27158","732430","Present"
-"5a,12b-Dihydroxy-5a,12b-dihydro-5H-indeno[2,1-b]naphtho[2,3-d]furan-5-one","","","","","","","","","","","","","","","","","","","","2,10-Dihydroxy-11-oxapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3,5,7,12,14,16,18-octaen-9-one","","C1=CC=C2C=C3C(=CC2=C1)C4(C5=CC=CC=C5C(=O)C4(O3)O)O","SXPWFHCPILFFNY-UHFFFAOYSA-N","368010",NA,"PDBC27159","638239","Present"
-"5a-(4-Chlorophenyl)-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one","","","","","","","","","","","","","","","","","","","","5a-(4-Chlorophenyl)-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one","","C1CC2(NC3=C(N2C1=O)C=NC=C3)C4=CC=C(C=C4)Cl","SNDMFBBQLKLJOR-UHFFFAOYSA-N","375660",NA,"PDBC27160","655501","Present"
-"5a-Hydroxy-5aH,13H-benzo[g]chromeno[2,3-b]chromen-13-one","","","","","","","","","","","","","","","","","","","","5a-Hydroxy-5aH,13H-benzo[g]chromeno[2,3-b]chromen-13-one","","C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5OC4(O3)O","UXDPBIOUPVOTFT-UHFFFAOYSA-N","388323",NA,"PDBC27161","683058","Present"
-"5a-Hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","","","","","","","","","","","","","","","","","","","3-Hydroxy-8-(3,4,5-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one","","COC1=CC(=CC(=C1OC)OC)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O","OUONRLWTLLDLLY-UHFFFAOYSA-N","353424",NA,"PDBC27162","601675","Present"
-"5a-Hydroxychromeno[2,3-b]chromen-12-one","","","","","","","","","","","","","","","","","","","","5a-Hydroxychromeno[2,3-b]chromen-12-one","","C1=CC=C2C(=C1)C=C3C(=O)C4=CC=CC=C4OC3(O2)O","QACREWIERLDDMW-UHFFFAOYSA-N","388319",NA,"PDBC27163","683054","Present"
-"5a-Methoxy-9-(2-methoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","","","","","","","","","","","","","","","","","","","5a-Methoxy-9-(2-methoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","COC1=CC=CC=C1C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC","WRLLJZYUHKBCFJ-UHFFFAOYSA-N","380086",NA,"PDBC27164","665484","Present"
-"5a-Methyl-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one","","","","","","","","","","","","","","","","","","","","5a-Methyl-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one","","CC12CCC(=O)N1C3=C(N2)C=CN=C3","QQUYWSUHHBUVPT-UHFFFAOYSA-N","375658",NA,"PDBC27165","655499","Present"
-"5a-Phenyl-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one","","","","","","","","","","","","","","","","","","","","5a-Phenyl-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one","","C1CC2(NC3=C(N2C1=O)C=NC=C3)C4=CC=CC=C4","HRHNHWWNGRGAAL-UHFFFAOYSA-N","375659",NA,"PDBC27166","655500","Present"
-"5beta,6beta-Epoxyphysalin B","","","","","","","","","","","","","","","","","","","","Physalin F","","CC12CC3C4(C56C1C(=O)C(O5)(C7CC8C9(O8)CC=CC(=O)C9(C7CCC6(C(=O)O4)O)C)OCC2C(=O)O3)C","VSLWNSSUMFSGFF-JIVVZTKCSA-N","6712226",NA,"PDBC27167","661115","Present"
-"5beta-(3,5-Dimethoxy-4-hydroxyphenyl)-9alpha-[[2-(2-hydroxyethylamino)ethyl]amino]-5,8,8abeta,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one","","","","","","","","","","","","","","","","","","","","(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCNCCO","IHQGWVADRNDCKN-AZIXLERZSA-N","380414",NA,"PDBC27168","665935","Present"
-"5beta-Cholan-24-oic acid,12alpha-diol, sodium salt","","","","","","","","","","","","","","","","","","","","deoxycholic acid","","CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]","AECTYFQKWPXOSR-DGMAEHPPSA-N","54608511",NA,"PDBC27169","681065","Present"
-"5h-Pyrido[3,4-b][1,4]benzothiazine","","","","","","","","","","","","","","","","","","","","3-azaphenothiazine","","C1=CC=C2C(=C1)NC3=C(S2)C=NC=C3","JAALLZGVBSLANN-UHFFFAOYSA-N","291128",NA,"PDBC27170","155698","Present"
-"5h-Thiazolo[3,2-c]pyrimidine-3,5(2h)-dione","","","","","","","","","","","","","","","","","","","","5H-Thiazolo[3,2-c]pyrimidine-3,5-dione, 2,3-dihydro","","C1C(=O)N2C(=CC=NC2=O)S1","CUFAARIIOXESJH-UHFFFAOYSA-N","377337",NA,"PDBC27171","658774","Present"
-"6',7'-Dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione","","","","","","","","","","","","","","","","","","","","6',7'-Dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione","","CC1=C(C2=C(CC3(C2=O)CC4=C(C3=O)C=C5CCCC5=C4)C=C1)C","JLKLRLUBLZHTGH-UHFFFAOYSA-N","393821",NA,"PDBC27172","696642","Present"
-"6',7'-Dimethylspiro[3,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1,1'-dione","","","","","","","","","","","","","","","","","","","","6',7'-Dimethylspiro[3,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1,1'-dione","","CC1=C(C2=C(CC3(C2=O)CC4=C(C3=O)C5=C(CCC5)C=C4)C=C1)C","MUODGUZOSLYFPP-UHFFFAOYSA-N","393822",NA,"PDBC27173","696643","Present"
-"6'-(Bis(2-chloroethyl)amino)spiro(imidazolidine-4,1'-indan)-2,5-dione","","","","","","","","","","","","","","","","","","","","Spiro(imidazolidine-4,1'-(1H)indene)-2,5-dione, 6'-[bis(...","","C1CC2(C3=C1C=CC(=C3)N(CCCl)CCCl)C(=O)NC(=O)N2","SLOOKLJYJCGNRB-UHFFFAOYSA-N","315310",NA,"PDBC27174","240386","Present"
-"6'-(Prop-2-enoxymethyl)spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]","","","","","","","","","","","","","","","","","","","","6'-(Prop-2-enoxymethyl)spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]","","C=CCOCC1C2C1C3(CC2)OCCO3","PPOBJUHQGZTBOQ-UHFFFAOYSA-N","390959",NA,"PDBC27175","689212","Present"
-"6'-Amino-2'-morpholin-4-yl-1'H,3-benzimidazole-2, 4'-pyrimidine]-5'carbonitrile","","","","","","","","","","","","","","","","","","","","6'-Amino-2'-morpholin-4-yl-1'H,3H-spiro[1,3-benzimidazol...","","C1COCCN1C2=NC3(C(=C(N2)N)C#N)NC4=CC=CC=C4N3","DTCMWHGGAASIBO-UHFFFAOYSA-N","24203661",NA,"PDBC27176","729037","Present"
-"6'-Amino-2'-morpholin-4-yl-1'H,3-benzothiazole-2, 4'-pyrimidine]-1',5'-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6'-Amino-2'-morpholin-4-yl-1'H,3H-spiro[1,3-benzothiazol...","","C1COCCN1C2=NC(=C(C3(C2C#N)NC4=CC=CC=C4S3)C#N)N","XSAIBKBTPGRANK-UHFFFAOYSA-N","24203822",NA,"PDBC27177","729680","Present"
-"6'-Amino-2'-morpholino-2',3'-tetrahydro spiro[benzoxazole-2,4'-pyrimidine]-5'-carbonitrile","","","","","","","","","","","","","","","","","","","","6'-Amino-2'-morpholino-2',3,3'-tetrahydro spiro[benzoxaz...","","C1COCCN1C2=NC3(C(=C(N2)N)C#N)NC4=CC=CC=C4O3","KAIBBVSAONRHBM-UHFFFAOYSA-N","24203658",NA,"PDBC27178","729034","Present"
-"6'-Amino-2'-oxo-1,3,3'-tetrahydro-1'H-spiro[benzimidazole-2,4'-pyrimidine]-5'-carbonitrile","","","","","","","","","","","","","","","","","","","","6'-Amino-2'-oxo-1,2',3,3'-tetrahydro-1'H-spiro[benzimida...","","C1=CC=C2C(=C1)NC3(N2)C(=C(NC(=O)N3)N)C#N","NMUPOFJLCTYFAS-UHFFFAOYSA-N","24203189",NA,"PDBC27179","727095","Present"
-"6'-Amino-2'-oxo-2',3H-spiro[1,3-benzothiazole-2, 4'-pyridine]3',5'-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6' -Amino-2'-oxo-2',3'-dihydro1'H,3H-spiro[1,3-benzothia...","","C1=CC=C2C(=C1)NC3(S2)C(C(=O)NC(=C3C#N)N)C#N","MITAMBZBJDAGNV-UHFFFAOYSA-N","24203660",NA,"PDBC27180","729036","Present"
-"6'-Amino-2'-oxo-2',3H-spiro[1,3-benzothiazole-2, 4'-pyrimidine]-5'-carbonitrile","","","","","","","","","","","","","","","","","","","","6'- Amino-2'-oxo-2',3'-dihydro-1'H,3H-spiro[1,3-benzothi...","","C1=CC=C2C(=C1)NC3(S2)C(=C(NC(=O)N3)N)C#N","QUAKQGMFVXKFGY-UHFFFAOYSA-N","24203439",NA,"PDBC27181","728030","Present"
-"6'-Amino-2'-thioxo-1',3,3'-tetrahydro-1H-spiro[benzimidaz ole-2,4'-pyrimidine]-5'-carbonitrile","","","","","","","","","","","","","","","","","","","","6'-Amino-2'-thioxo-1',2',3,3'-tetrahydro-1H-spiro[benzim...","","C1=CC=C2C(=C1)NC3(N2)C(=C(NC(=S)N3)N)C#N","ZWKBHADRJUKWQT-UHFFFAOYSA-N","24203441",NA,"PDBC27182","728032","Present"
-"6'-Amino-2'-thioxo-1',3,3'-tetrahydro-1H-spiro[benzothiaz ol-2,4'-pyrimidine]-1',5'-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6'-Amino-2'-thioxo-1',2',3,3'-tetrahydro-1H-spiro[benzot...","","C1=CC=C2C(=C1)NC3(S2)C(C(=S)NC(=C3C#N)N)C#N","ROXZUKCCBBZMKY-UHFFFAOYSA-N","24203808",NA,"PDBC27183","729613","Present"
-"6'-Amino-2'-thioxo-2',3'-tetrahydro spiro[benzothiazole-2,4'-pyrimidine]-5'-carbonitrile","","","","","","","","","","","","","","","","","","","","6'-Amino-2'-thioxo-2',3,3'-tetrahydro spiro[benzothiazol...","","C1=CC=C2C(=C1)NC3(S2)C(=C(NC(=S)N3)N)C#N","VWECLVSDAKTFBS-UHFFFAOYSA-N","24203655",NA,"PDBC27184","729031","Present"
-"6'-Amino-2'-thioxo-2',3'-tetrahydro spiro[benzoxazole-2,4'-pyrimidine]-5'-carbonitrile","","","","","","","","","","","","","","","","","","","","6'-Amino-2'-thioxo-2',3,3'-tetrahydro spiro[benzoxazole-...","","C1=CC=C2C(=C1)NC3(O2)C(=C(NC(=S)N3)N)C#N","IGNKULLNNARJCD-UHFFFAOYSA-N","24203657",NA,"PDBC27185","729033","Present"
-"6'-Bromodihydropapaverine","","","","","","","","","","","","","","","","","","","","6'-Bromodihydropapaverine","","COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3Br)OC)OC)OC","VTMKNFUOXXPXJN-UHFFFAOYSA-N","43029",NA,"PDBC27186","629156","Present"
-"6'-Chlorospiro[1,3-dithiane-2,8'-cyclobuta[b]chromene]-1',2'-dione","","","","","","","","","","","","","","","","","","","","6'-chlorospiro[1,3-dithiane-2,8'-cyclobuta[b]chromene]-1',2'-dione","","C1CSC2(C3=C(C=CC(=C3)Cl)OC4=C2C(=O)C4=O)SC1","KONCZATTXZERKD-UHFFFAOYSA-N","389277",NA,"PDBC27187","685030","Present"
-"6'-Hydroxy-12'-methylspiro[cyclohexane-1,3'-pyrano[2,3-c]acridine]-7'-one","","","","","","","","","","","","","","","","","","","","6'-Hydroxy-12'-methylspiro[cyclohexane-1,3'-pyrano[2,3-c]acridine]-7'-one","","CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC5(CCCCC5)C=C4","FEICAOQEAFNNPO-UHFFFAOYSA-N","5465789",NA,"PDBC27188","662132","Present"
-"6'-Hydroxy-12'-methylspiro[cyclopentane-1,3'-pyrano[2,3-c]acridine]-7'-one","","","","","","","","","","","","","","","","","","","","6'-Hydroxy-12'-methylspiro[cyclopentane-1,3'-pyrano[2,3-c]acridine]-7'-one","","CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC5(CCCC5)C=C4","JIMTTZYAJQGBRG-UHFFFAOYSA-N","5465765",NA,"PDBC27189","660817","Present"
-"6(5H)-Phenanthridinone","","","","","","","","","","","","","","","","","","","","Phenanthridone (misnomer)","","C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O","RZFVLEJOHSLEFR-UHFFFAOYSA-N","1853",NA,"PDBC27190","61083","Present"
-"6,10-Diphenylspiro[2,6-diazapentacyclo[9.7.0.02,9.04,8.013,18]octadeca-1(11),9,13,15,17-pentaene-3,2'-indene]-1',3',5,7,12-pentone","","","","","","","","","","","","","","","","","","","","diphenylspiro[[?]-[?],2'-indane]-1',3'-pentone","","C1=CC=C(C=C1)C2=C3C4C(C(=O)N(C4=O)C5=CC=CC=C5)C6(N3C7=C2C(=O)C8=CC=CC=C87)C(=O)C9=CC=CC=C9C6=O","WEJWNZITXCLTGL-UHFFFAOYSA-N","394796",NA,"PDBC27191","698598","Present"
-"6,10-Imino-5H-cyclooct[b]indole-8-carboxylic acid, 6,7,8,9,10,11-hexahydro-5,12-dimethyl-9-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 3,16-dimethyl-13-oxo-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-14-carboxylate","","CN1C2CC(C(=O)C1CC3=C2N(C4=CC=CC=C34)C)C(=O)OC","WNXNUATXQPWONG-UHFFFAOYSA-N","363933",NA,"PDBC27192","629421","Present"
-"6,10-Imino-8H-cyclooct[b]indole-8,8-dicarboxylic acid, 5,6,7,9,10,11-hexahydro-5-methyl-9-oxo-12-(phenylmethyl)-, dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 16-benzyl-3-methyl-13-oxo-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-14,14-dicarboxylate","","CN1C2=CC=CC=C2C3=C1C4CC(C(=O)C(C3)N4CC5=CC=CC=C5)(C(=O)OC)C(=O)OC","FKMBSMAQHJSSJI-UHFFFAOYSA-N","364140",NA,"PDBC27193","629812","Present"
-"6,11-Dihydroindazolo[1,2-b]phthalazin-13-one","","","","","","","","","","","","","","","","","","","","6,11-Dihydroindazolo[1,2-b]phthalazin-13-one","","C1C2=CC=CC=C2CN3N1C4=CC=CC=C4C3=O","SSYTYBGNQJIFQV-UHFFFAOYSA-N","384988",NA,"PDBC27194","675815","Present"
-"6,11-Dihydropyrido[3,4-c][1,5]benzodiazepin-5-one","","","","","","","","","","","","","","","","","","","","6,11-Dihydropyrido[3,4-c][1,5]benzodiazepin-5-one","","C1=CC=C2C(=C1)NC3=C(C=NC=C3)C(=O)N2","DGAYLHSFCQSCHN-UHFFFAOYSA-N","360422",NA,"PDBC27195","622557","Present"
-"6,11-Diiodo-7,7,9-trimethoxy-3-methyl-1,2,4,6,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline","","","","","","","","","","","","","","","","","","","","6,11-Diiodo-7,7,9-trimethoxy-3-methyl-1,2,4,6,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline","","CN1CCC23C4C(C(C=C2C1CC5=C(C=C(C(=C35)O4)OC)I)I)(OC)OC","QHFUCQIGYDHNPR-UHFFFAOYSA-N","398250",NA,"PDBC27196","707849","Present"
-"6,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","6,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CC1=CC2=C(C(=O)C=CC2=O)C3=C1C4=CC=CC=C4N3C","PHQKWTSPLGTTCW-UHFFFAOYSA-N","372650",NA,"PDBC27197","648147","Present"
-"6,11-Dimethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","6,11-dimethyl-4-(5-methyl-1H-benzo[d]imidazol-1-yl)-6,11...","","CC1CC2=C(N=CN=C2N(C3=CC=CC=C13)C)N4C=NC5=C4C=CC(=C5)C","IVVDPBMPXSPFJZ-UHFFFAOYSA-N","155810655",NA,"PDBC27198","786144","Present"
-"6,11-Dimethylbenzimidazolo[1,2-b]isoquinoline","","","","","","","","","","","","","","","","","","","","6,11-Dimethylbenzimidazo[1,2-b]isoquinoline","","CC1=C2C=CC=CC2=C(N3C1=NC4=CC=CC=C43)C","NEQHORGBYBHJJO-UHFFFAOYSA-N","378356",NA,"PDBC27199","660439","Present"
-"6,11-Dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxamide","","","","","","","","","","","","","","","","","","","","6,11-Dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxamide","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N4C=CC=CC4=C3C(=O)N","LIEVOVKYUNEGFO-UHFFFAOYSA-N","256914",NA,"PDBC27200","84493","Present"
-"6,12-Diamino-20,27-dichloro-19,28-dimethyl-2,2,16,16-tetraoxo-2lambda6,16lambda6,23,24-tetrathia-3,5,7,8,10,11,13,15-octazapentacyclo[23.4.0.04,8.010,14.017,22]nonacosa-1(25),4,6,11,13,17(22),18,20,26,28-decaen-9-ol","","","","","","","","","","","","","","","","","","","","6,12-Diamino-20,27-dichloro-19,28-dimethyl-2,2,16,16-tetraoxo-2lambda6,16lambda6,23,24-tetrathia-3,5,7,8,10,11,13,15-octazapentacyclo[23.4.0.04,8.010,14.017,22]nonacosa-1(25),4,6,11,13,17(22),18,20,26","","CC1=CC2=C(C=C1Cl)SSC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)NC4=NC(=NN4C(N5C(=NC(=N5)N)NS2(=O)=O)O)N","FZAIJRHAHWCFOZ-UHFFFAOYSA-N","378474",NA,"PDBC27201","661074","Present"
-"6,12-Dibenzyl-5,13-dioxo-3,9,15-trioxa-6,12-diazaheptadecane-1,17-dioic acid","","","","","","","","","","","","","","","","","","","","6,12-Dibenzyl-5,13-dioxo-3,9,15-trioxa-6,12-diazaheptadecane-1,17-dioic acid","","C1=CC=C(C=C1)CN(CCOCCN(CC2=CC=CC=C2)C(=O)COCC(=O)O)C(=O)COCC(=O)O","GYRKUHYKCILIAT-UHFFFAOYSA-N","379471",NA,"PDBC27202","664025","Present"
-"6,12-Diisopropyl-5,11-dihydroindolo[3,2-b]carbazole","","","","","","","","","","","","","","","","","","","","6,12-Diisopropyl-5,11-dihydroindolo[3,2-b]carbazole","","CC(C)C1=C2C3=CC=CC=C3NC2=C(C4=C1NC5=CC=CC=C54)C(C)C","WAXSYYFKSHNHBE-UHFFFAOYSA-N","369621",NA,"PDBC27203","641534","Present"
-"6,12-Dimethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione","","","","","","","","","","","","","","","","","","","","6,12-Dimethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione","","CC1=CC2=C(C3=C1C(=O)C4=CC=CC=C4C3=O)N(C5=CC=CC=C52)C","JIQCZCPEXMBTSV-UHFFFAOYSA-N","372654",NA,"PDBC27204","648151","Present"
-"6,13-Bis(benzyloxy)-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione","","","","","","","","","","","","","","","","","","","","6,13-Bis(benzyloxy)-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione","","CC1(CN=CC(C(=O)NC(CN=CC(C(=O)N1)(C)OCC2=CC=CC=C2)(C)C)(C)OCC3=CC=CC=C3)C","SEGFYKICHJQPLU-UHFFFAOYSA-N","374400",NA,"PDBC27205","652110","Present"
-"6,13-Bis[2-(prop-2-ynylamino)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone","","","","","","","","","","","","","","","","","","","","2,7-Bis-(2-prop-2-ynylamino-ethyl)-benzo[lmn][3,8]phenan...","","C#CCNCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCNCC#C)C1=O","PMVFXJUZOWVBLJ-UHFFFAOYSA-N","155808176",NA,"PDBC27206","754336","Present"
-"6,13-Diethyl-6,13-dihydro-5,6,7,12,13,14-hexaaza-pentacene","","","","","","","","","","","","","","","","","","","","6,13-Diethyl-6,13-dihydro-5,6,7,12,13,14-hexaaza-pentacene","","CCN1C2=NC3=CC=CC=C3N=C2N(C4=NC5=CC=CC=C5N=C41)CC","ZPGQLUVVMRPZHE-UHFFFAOYSA-N","381314",NA,"PDBC27207","667755","Present"
-"6,13-Dihydrobenzo[h][1,3]dioxolo[4,5-b]acridin-7(5h)-one","","","","","","","","","","","","","","","","","","","","6,8-Dioxa-12-azapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14,16,18-heptaen-2-one","","C1CC2=C(C3=CC=CC=C31)NC4=CC5=C(C=C4C2=O)OCO5","OOMKPZBFYSEJHI-UHFFFAOYSA-N","373174",NA,"PDBC27208","649123","Present"
-"6,13-Dimethoxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione","","","","","","","","","","","","","","","","","","","","6,13-Dimethoxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione","","CC1(CN=CC(C(=O)NC(CN=CC(C(=O)N1)(C)OC)(C)C)(C)OC)C","UHZFQYYITQQTCZ-UHFFFAOYSA-N","374399",NA,"PDBC27209","652109","Present"
-"6,13-Dimethoxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradecane-5,12-dione","","","","","","","","","","","","","","","","","","","","6,13-Dimethoxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradecane-5,12-dione","","CC1(CNCC(C(=O)NC(CNCC(C(=O)N1)(C)OC)(C)C)(C)OC)C","XZHCFUDUNBPION-UHFFFAOYSA-N","373030",NA,"PDBC27210","648863","Present"
-"6,13-Methano-13H-dibenz[d,h][1,6,3]oxathiazonine, 6,7-dihydro-6-methyl-","","","","","","","","","","","","","","","","","","","","6,13-Methano-13H-dibenz[d,h][1,6,3]oxathiazonine, 6,7-dihydro-6-methyl-","","CC12CC(C3=CC=CC=C3O1)SC4=CC=CC=C4N2","BQTQFFNTULIAGG-UHFFFAOYSA-N","365382",NA,"PDBC27211","632989","Present"
-"6,17,17-Trimethyl-5-phenylmethoxy-12,16-dioxa-7-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione","","","","","","","","","","","","","","","","","","","","6,17,17-Trimethyl-5-phenylmethoxy-12,16-dioxa-7-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione","","CC1=C(C=C2C(=N1)C(=O)C3=C(C2=O)C(OC4C3OC(=O)C4)(C)C)OCC5=CC=CC=C5","ZJZKBFWBMRASKX-UHFFFAOYSA-N","387285",NA,"PDBC27212","680936","Present"
-"6,2-d][1,3]Thiazolo[3,2-a]pyrimidin-9(1H)-one","","","","","","","","","","","","","","","","","","","","6,7-Dihydropyrrolo[3,2-d][1,3]thiazolo[3,2-a]pyrimidin-9...","","C1CSC2=NC3=C(C(=O)N21)NC=C3","NIEOGBLOEWVJTJ-UHFFFAOYSA-N","24205300",NA,"PDBC27213","734975","Present"
-"6,20-Di(acridin-9-yl)-13-[4-[[3,5-bis[(3,5-ditert-butylphenyl)methoxy]phenyl]methoxy]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene","","","","","","","","","","","","","","","","","","","","6,20-Di(acridin-9-yl)-13-[4-[[3,5-bis[(3,5-ditert-butylphenyl)methoxy]phenyl]methoxy]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene","","CC(C)(C)C1=CC(=CC(=C1)COC2=CC(=CC(=C2)COC3=CC=C(C=C3)C4=C5CCC6=C(C5=NC7=C4CCC8=C7C=C(C=C8)C9=C1C=CC=CC1=NC1=CC=CC=C19)C=C(C=C6)C1=C2C=CC=CC2=NC2=CC=CC=C21)OCC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C","ULDCINDBZNMZDJ-UHFFFAOYSA-N","16129928",NA,"PDBC27214","700533","Present"
-"6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene","","","","","","","","","","","","","","","","","","","","6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene","","C1CC2=CC3=C(C4=C(CC3)C=CC(=C4)Br)N=C2C5=C1C=CC(=C5)Br","IXYGKUPFKSIHOL-UHFFFAOYSA-N","395732",NA,"PDBC27215","700531","Present"
-"6,20-Ditert-butyl-10,13,16-trioxa-3lambda6,23lambda6-dithia-2,24-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4(9),5,7,17(22),18,20,25,27-nonaene 3,3,23,23-tetraoxide","","","","","","","","","","","","","","","","","","","","6,20-Ditert-butyl-10,13,16-trioxa-3lambda6,23lambda6-dithia-2,24-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4(9),5,7,17(22),18,20,25,27-nonaene 3,3,23,23-tetraoxide","","CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)NC4=CC=CC(=C4)NS2(=O)=O","FILOFJODFBROAW-UHFFFAOYSA-N","360740",NA,"PDBC27216","623079","Present"
-"6,20-Ditert-butyl-3,10,13,16,23-pentaoxa-26,27,28-triazatetracyclo[23.2.1.04,9.017,22]octacosa-1(28),4(9),5,7,17(22),18,20,25-octaene","","","","","","","","","","","","","","","","","","","","6,20-Ditert-butyl-3,10,13,16,23-pentaoxa-26,27,28-triazatetracyclo[23.2.1.04,9.017,22]octacosa-1(28),4(9),5,7,17(22),18,20,25-octaene","","CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C(C=C(C=C3)C(C)(C)C)OCC4=NNC(=N4)CO2","PDNKHMUOJIIFNM-UHFFFAOYSA-N","389005",NA,"PDBC27217","684444","Present"
-"6,22-Dibromo-2,26-diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4(9),5,7,13,15,19(24),20,22,25-undecaene","","","","","","","","","","","","","","","","","","","","6,22-Dibromo-2,26-diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4(9),5,7,13,15,19(24),20,22,25-undecaene","","C1CC2=CC3=CC4=C(C5=C(CC4)C=CC(=C5)Br)N=C3N=C2C6=C1C=CC(=C6)Br","WKYNXFNSJYKIGK-UHFFFAOYSA-N","395725",NA,"PDBC27218","700524","Present"
-"6,24-Dimethyl-3,15,27-trithia-6,24-diazaheptacyclo[14.11.0.02,14.04,13.07,12.017,26.018,23]heptacosa-1(16),2(14),4(13),7,9,11,17(26),18,20,22-decaene-5,25-dione","","","","","","","","","","","","","","","","","","","","6,24-Dimethyl-3,15,27-trithia-6,24-diazaheptacyclo[14.11.0.02,14.04,13.07,12.017,26.018,23]heptacosa-1(16),2(14),4(13),7,9,11,17(26),18,20,22-decaene-5,25-dione","","CN1C2=CC=CC=C2C3=C(C1=O)SC4=C3SC5=C4SC6=C5C7=CC=CC=C7N(C6=O)C","CKFGCDGCXMYTKW-UHFFFAOYSA-N","391100",NA,"PDBC27219","689718","Present"
-"6,3-Dimethoxy-5,11-dioxo-6-methyl-5H-indeno[1,2-c]isoquinoline-9-carbonitrile","","","","","","","","","","","","","","","","","","","","6,11-Dihydro-2,3-dimethoxy-5,11-dioxo-6-methyl-5H-indeno...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=C2C=CC(=C4)C#N","TXKLQNMNNHXLNX-UHFFFAOYSA-N","45027889",NA,"PDBC27220","734293","Present"
-"6,4' Dihydroxy flavone 7-o rhamnoside","","","","","","","","","","","","","","","","","","","","6,8 Dimethoxy  5,4' dihydroxy flavone 7-o rhamnoside","","CC1C(C(C(C(O1)OC2=C(C(=C3C(=O)C=C(OC3=C2OC)C4=CC=C(C=C4)O)O)OC)O)O)O","NRONFVSSFSHDMS-UHFFFAOYSA-N","24205317",NA,"PDBC27221","735007","Present"
-"6,4-Di-N-oxide-2-bencyloxicarbonyl-3methylquinox aline","","","","","","","","","","","","","","","","","","","","6,7-difluor-1,4-di-N-oxide-2-bencyloxicarbonyl-3methylqu...","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)OCC3=CC=CC=C3","BFOBPUXZPPPYES-UHFFFAOYSA-N","405496",NA,"PDBC27222","722853","Present"
-"6,4-Di-N-oxide-3-trifluoromethylquinoxalin-2-ph enylcarbonil","","","","","","","","","","","","","","","","","","","","6,7-dichloro-1,4-di-N-oxide-3-trifluoromethylquinoxalin-...","","C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)Cl)Cl)[O-])C(F)(F)F","BIABZTJAETYPMO-UHFFFAOYSA-N","404699",NA,"PDBC27223","721143","Present"
-"6,4-Di-N-oxide-3-trifluoromethylquinoxalin-2-yl-phenylketone","","","","","","","","","","","","","","","","","","","","6,7-dimethyl-1,4-di-N-oxide-3-trifluoromethylquinoxalin-...","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C3=CC=CC=C3","PZDDPPQVVOLKQK-UHFFFAOYSA-N","404584",NA,"PDBC27224","720933","Present"
-"6,4-Dioxyquinoxaline-2-carboxylic acid 4-methoxybenzylamide","","","","","","","","","","","","","","","","","","","","6,7-Difluoro-3-methyl-1,4-dioxyquinoxaline-2-carboxylic ...","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)NCC3=CC=C(C=C3)OC","DFMKJCWZCAPMDC-UHFFFAOYSA-N","46885175",NA,"PDBC27225","744579","Present"
-"6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol","","","","","","","","","","","","","","","","","","","","Pycnamine///NSC766769","","CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC","DFOCUWZXJBAUSQ-UHFFFAOYSA-N","10170",NA,"PDBC27226","105131///766769","Present"
-"6,6'-Bis(2-oxo-2-pyridin-3-ylethyl)-5H,5'H-3,3'-biimidazo[2,1-c][1,2,4]triazole-5,5'-dione","","","","","","","","","","","","","","","","","","","","3-[5-Oxo-6-(2-oxo-2-pyridin-3-ylethyl)imidazo[2,1-c][1,2,4]triazol-3-yl]-6-(2-oxo-2-pyridin-3-ylethyl)imidazo[2,1-c][1,2,4]triazol-5-one","","C1=CC(=CN=C1)C(=O)CC2=NC3=NN=C(N3C2=O)C4=NN=C5N4C(=O)C(=N5)CC(=O)C6=CN=CC=C6","SYKGJVXYDJUTMC-UHFFFAOYSA-N","362241",NA,"PDBC27227","625845","Present"
-"6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol","","","","","","","","","","","","","","","","","","","","(1'.BETA.)-6,6'-DIMETHOXY-2,2'-DIMETHYLBERBAMAN-7,12-DIOL","","CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC","XGEAUXVPBXUBKN-UHFFFAOYSA-N","98409",NA,"PDBC27228","251534","Present"
-"6,6'-METHOXYGOSSYPOL","","","","","","","","","","","","","","","","","","","","6,6'-METHOXYGOSSYPOL","","CC1=CC2=C(C(=C(C(=C2C(C)C)OC)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)OC)C(C)C)O)O","OUHOXIPLBJIWEG-UHFFFAOYSA-N","375713",NA,"PDBC27229","655651","Present"
-"6,6'-Methylenebis(1,2-dihydro-2,2,4-trimethylquinoline)","","","","","","","","","","","","","","","","","","","","Quinoline, 6,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl]-","","CC1=CC(NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)NC(C=C4C)(C)C)(C)C","ADHZMOYUJKFKSE-UHFFFAOYSA-N","99342",NA,"PDBC27230","217697","Present"
-"6,6'-[1,3-Phenylenedi(carbonyl)]bis(2-phenyl-1H-benzo[de]isoquinoline-1,3(2H)-dione)","","","","","","","","","","","","","","","","","","","","6-[3-(1,3-Dioxo-2-phenylbenzo[de]isoquinoline-6-carbonyl)benzoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione","","C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)C(=O)C5=CC(=CC=C5)C(=O)C6=C7C=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC=CC=C9)C=CC=C4C2=O","CEAHUGSDLGWDBT-UHFFFAOYSA-N","377201",NA,"PDBC27231","658432","Present"
-"6,6,13,13-Tetrachlorodibenzo[d,i][1,3,6,8,2,7]tetraoxadisilecine","","","","","","","","","","","","","","","","","","","","6,6,13,13-Tetrachlorodibenzo[d,i][1,3,6,8,2,7]tetraoxadisilecine","","C1=CC=C2C(=C1)O[Si](OC3=CC=CC=C3O[Si](O2)(Cl)Cl)(Cl)Cl","BYFUAXVVABEMTE-UHFFFAOYSA-N","370228",NA,"PDBC27232","642998","Present"
-"6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione;(3,4,5,6-tetrahydroxyoxan-2-yl)methanolate;titanium(4+)","","","","","","","","","","","","","","","","","","","","Bis(D-glucose-6-olato)bis(6,6,7,7,8,8,8-heptafluorine-2,...","","CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.C(C1C(C(C(C(O1)O)O)O)O)[O-].C(C1C(C(C(C(O1)O)O)O)O)[O-].[Ti+4]","DRSDZFHGTGKHHT-UHFFFAOYSA-N","368532",NA,"PDBC27233","639605","Present"
-"6,6,7a-Trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one","","","","","","","","","","","","","","","","","","","","6,6,7a-Trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one","","CC1(C2C1CC3(C(C2)SCC(=O)O3)C)C","YOBUCQAMBRSDSP-UHFFFAOYSA-N","375776",NA,"PDBC27234","655929","Present"
-"6,6,8,8-Tetramethyl-2,12-dioxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-one","","","","","","","","","","","","","","","","","","","","6,6,8,8-Tetramethyl-2,12-dioxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-one","","CC1(CCCOC2=CC(=CC=C2)OCCCC(C1=O)(C)C)C","PXUBPGIVFPBYOO-UHFFFAOYSA-N","380222",NA,"PDBC27235","665698","Present"
-"6,6,9-Tribromo-1,2-dimethoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one","","","","","","","","","","","","","","","","","","","","6,6,9-Tribromo-1,2-dimethoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one","","COC1=C(C2=C(C=C1)C(=O)C(CCC2Br)(Br)Br)OC","MJUQVXUAECCTNH-UHFFFAOYSA-N","402673",NA,"PDBC27236","716859","Present"
-"6,6-Bis(4-(dimethylamino)phenyl)-N,N-diethyl-6H-pyrimido[2,1-b]quinazolin-9-amine","","","","","","","","","","","","","","","","","","","","6,6-Bis(4-(dimethylamino)phenyl)-N,N-diethyl-6H-pyrimido[2,1-b]quinazolin-9-amine","","CCN(CC)C1=CC2=C(C=C1)C(N3C=CC=NC3=N2)(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C","HUOQQFFXXLUUDW-UHFFFAOYSA-N","363359",NA,"PDBC27237","628242","Present"
-"6,6-Bis(benzyloxy)-7-((tert-butoxycarbonyl)amino)-2-oxabicyclo[2.2.1]hept-3-yl acetate","","","","","","","","","","","","","","","","","","","","6,6-Bis(benzyloxy)-7-((tert-butoxycarbonyl)amino)-2-oxabicyclo[2.2.1]hept-3-yl acetate","","CC(=O)OC1C2CC(C(C2NC(=O)OC(C)(C)C)O1)(OCC3=CC=CC=C3)OCC4=CC=CC=C4","KESHEDNZAORXJW-UHFFFAOYSA-N","368604",NA,"PDBC27238","639713","Present"
-"6,6-Bis(p-methoxyphenyl)fulvene","","","","","","","","","","","","","","","","","","","","STK279206","","COC1=CC=C(C=C1)C(=C2C=CC=C2)C3=CC=C(C=C3)OC","ZTPIYEQWTZQQCA-UHFFFAOYSA-N","392607",NA,"PDBC27239","693147","Present"
-"6,6-Dibromo-2-methoxy-3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","5H-Benzocyclohepten-5-one, 6,6-dibromo-6,7,8,9-tetrahydr...","","COC1=C(C=C2C(=C1)CCCC(C2=O)(Br)Br)[N+](=O)[O-]","FSROCAZULZUTJL-UHFFFAOYSA-N","325767",NA,"PDBC27240","295085","Present"
-"6,6-Dibromo-5H-dibenzo[a,c]cycloheptene-5,7(6H)-dione","","","","","","","","","","","","","","","","","","","","6,6-Dibromo-5H-dibenzo[a,c]cycloheptene-5,7(6H)-dione","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C(C2=O)(Br)Br","INTRKBKDQDYPHE-UHFFFAOYSA-N","363748",NA,"PDBC27241","628940","Present"
-"6,6-Dichloro-1-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]-3lambda5-phosphabicyclo[3.1.0]hexane 3-oxide","","","","","","","","","","","","","","","","","","","","6,6-Dichloro-1-methyl-3-(2,4,6-triisopropylphenyl)-3$l5-phosphabicyclo[3.1.0]hexane 3-oxide","","CC(C)C1=CC(=C(C(=C1)C(C)C)P2(=O)CC3C(C2)(C3(Cl)Cl)C)C(C)C","PKOMNWPTRSMZCM-UHFFFAOYSA-N","398926",NA,"PDBC27242","709160","Present"
-"6,6-Dichloro-1-methyl-3-phenyl-3-phosphabicyclo[3.1.0]hexane 3-oxide","","","","","","","","","","","","","","","","","","","","6,6-Dichloro-1-methyl-3-phenyl-3-phosphabicyclo[3.1.0]hexane 3-oxide","","CC12CP(=O)(CC1C2(Cl)Cl)C3=CC=CC=C3","NEBYAFGQIRDZDL-UHFFFAOYSA-N","361314",NA,"PDBC27243","624330","Present"
-"6,6-Dichloro-1-methyl-3-phosphabicyclo[3.1.0]hexan-3-ol 3-oxide","","","","","","","","","","","","","","","","","","","","6,6-Dichloro-1-methyl-3-phosphabicyclo[3.1.0]hexan-3-ol 3-oxide","","CC12CP(=O)(CC1C2(Cl)Cl)O","YEONZVOQHFKRQB-UHFFFAOYSA-N","378418",NA,"PDBC27244","660837","Present"
-"6,6-Dichloro-3-methoxy-1-methyl-3-phosphabicyclo[3.1.0]hexane 3-oxide","","","","","","","","","","","","","","","","","","","","6,6-Dichloro-3-methoxy-1-methyl-3-phosphabicyclo[3.1.0]hexane 3-oxide","","CC12CP(=O)(CC1C2(Cl)Cl)OC","QRKRKVKQGRLRPQ-UHFFFAOYSA-N","361315",NA,"PDBC27245","624331","Present"
-"6,6-Diethoxy-2-(trifluoromethyl)-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-one","","","","","","","","","","","","","","","","","","","","6,6-Diethoxy-2-(trifluoromethyl)-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-one","","CCOP12(C(C3=CC=CC=C3O1)(OC(=O)N2)C(F)(F)F)OCC","MHGCPAWHYYAZJL-UHFFFAOYSA-N","375822",NA,"PDBC27246","656070","Present"
-"6,6-Dimethoxy-2-(trifluoromethyl)-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-one","","","","","","","","","","","","","","","","","","","","6,6-Dimethoxy-2-(trifluoromethyl)-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-one","","COP12(C(C3=CC=CC=C3O1)(OC(=O)N2)C(F)(F)F)OC","DVFMOKKLWDULND-UHFFFAOYSA-N","375821",NA,"PDBC27247","656069","Present"
-"6,6-Dimethyl-1-(3-nonylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","6,6-Dimethyl-1-(3-nonylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride","","CCCCCCCCCC1=CC(=CC=C1)N2C(=NC(=NC2(C)C)N)N.Cl","LXYSMRWCLAIETP-UHFFFAOYSA-N","354440",NA,"PDBC27248","606398","Present"
-"6,6-Dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","6,6-Dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride","","CC1(N=C(N=C(N1CCCCC2=CC=CC=C2)N)N)C.Cl","FGTPCWJUDVKRLB-UHFFFAOYSA-N","5351906",NA,"PDBC27249","88903","Present"
-"6,6-Dimethyl-1-[3-(2-phenylethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","6,6-dimethyl-1-(3-phenethylphenyl)-1,6-dihydro-1,3,5-tri...","","CC1(N=C(N=C(N1C2=CC=CC(=C2)CCC3=CC=CC=C3)N)N)C.Cl","LLBRPDORMFSQIC-UHFFFAOYSA-N","24191777",NA,"PDBC27250","127752","Present"
-"6,6-Dimethyl-1-[3-(4-phenoxybutyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[m-(4...","","CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCOC3=CC=CC=C3)N)N)C.Cl","ODTCOBXGUJEZPN-UHFFFAOYSA-N","24191779",NA,"PDBC27251","127754","Present"
-"6,6-Dimethyl-13-thia-3-azatetracyclo[5.5.1.01,9.03,7]tridecan-2-one","","","","","","","","","","","","","","","","","","","","6,6-Dimethyl-13-thia-3-azatetracyclo[5.5.1.01,9.03,7]tridecan-2-one","","CC1(CCN2C13CC4CCCC4(C2=O)S3)C","YNWINBYEJRPYBT-UHFFFAOYSA-N","397461",NA,"PDBC27252","705319","Present"
-"6,6-Dimethyl-2,10-dimethylidene-4,8-dioxadispiro[4.1.47.35]tetradecane-3,9-dione","","","","","","","","","","","","","","","","","","","","6,6-Dimethyl-2,10-dimethylidene-4,8-dioxadispiro[4.1.47.35]tetradecane-3,9-dione","","CC1(C2(CCCC13CC(=C)C(=O)O3)CC(=C)C(=O)O2)C","MNOOTCTZYTWUSS-UHFFFAOYSA-N","318804",NA,"PDBC27253","258625","Present"
-"6,6-Dimethyl-3-(2-thioxo-pyrrolidin-3-ylmethylene)-piperidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6,6-Dimethyl-3-(2-thioxo-pyrrolidin-3-ylmethylene)-piperidine-2,4-dione","","CC1(CC(=O)C(=CC2CCNC2=S)C(=O)N1)C","SFOQPFHYQQRLHU-YVMONPNESA-N","5937786",NA,"PDBC27254","658283","Present"
-"6,6-Dimethyl-5,8-dihydro-6H-9-oxa-7-thia-1,3-diaza-fluoren-4-ylamine","","","","","","","","","","","","","","","","","","","","6,6-Dimethyl-5,8-dihydro-6H-9-oxa-7-thia-1,3-diaza-fluoren-4-ylamine","","CC1(CC2=C(CS1)OC3=NC=NC(=C23)N)C","IUZVEGWNJWSLRB-UHFFFAOYSA-N","372823",NA,"PDBC27255","648485","Present"
-"6,6a,12,12a-Tetrahydrobenzo[a]anthracene-5,7-dione","","","","","","","","","","","","","","","","","","","","NSC408539","","C1C2C(CC(=O)C3=CC=CC=C23)C(=O)C4=CC=CC=C41","SZWDLRJCWKYPSQ-UHFFFAOYSA-N","348994",NA,"PDBC27256","408539","Present"
-"6,7,16,17-Tetramethyl-5,11,15-trithia-1,3,10,13-tetrazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-2,4(8),6,12,14(18),16-hexaene-9,19-dione","","","","","","","","","","","","","","","","","","","","6,7,16,17-Tetramethyl-5,11,15-trithia-1,3,10,13-tetrazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-2,4(8),6,12,14(18),16-hexaene-9,19-dione","","CC1=C(SC2=C1C(=O)N3C(=N2)N4C(=O)C5=C(N=C4S3)SC(=C5C)C)C","UQVUCGVTIAUCEI-UHFFFAOYSA-N","396923",NA,"PDBC27257","704104","Present"
-"6,7,7-Triphenylbicyclo[3.2.0]hept-2-en-6-ol","","","","","","","","","","","","","","","","","","","","6,7,7-Triphenylbicyclo[3.2.0]hept-2-en-6-ol","","C1C=CC2C1C(C2(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)O","YZUUYMMQSJASJE-UHFFFAOYSA-N","346172",NA,"PDBC27258","404287","Present"
-"6,7,8'-Tris(dimethylamino)-1,2-diphenylspiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one","","","","","","","","","","","","","","","","","","","","6,7,8'-Tris(dimethylamino)-1,2-diphenylspiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one","","CN(C)C1=C2C(=CC=C3C2=C(C=C1)C(C(C34C=CC(=O)C5=C4C=CC=C5N(C)C)C6=CC=CC=C6)C7=CC=CC=C7)N(C)C","GUVWPRTVRQTUFV-UHFFFAOYSA-N","383781",NA,"PDBC27259","672228","Present"
-"6,7,8,10,10a,11-Hexahydro-5H-[1]benzothiolo[5,6-a]indolizin-9-ium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","6,7,8,10,10a,11-Hexahydro-5H-[1]benzothiolo[5,6-a]indolizin-9-ium;trifluoromethanesulfonate","","C1CC[N+]2=C(C1)C3=CC4=C(CC3C2)SC=C4.C(F)(F)(F)S(=O)(=O)[O-]","XLOFBVDAEULHJL-UHFFFAOYSA-M","397953",NA,"PDBC27260","707028","Present"
-"6,7,8,10,10a,11-Hexahydro-5H-[1]benzothiolo[6,5-a]indolizin-9-ium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","6,7,8,10,10a,11-Hexahydro-5H-[1]benzothiolo[6,5-a]indolizin-9-ium;trifluoromethanesulfonate","","C1CC[N+]2=C(C1)C3=CC4=C(CC3C2)C=CS4.C(F)(F)(F)S(=O)(=O)[O-]","ADFBUJKUBUBDIL-UHFFFAOYSA-M","397951",NA,"PDBC27261","707027","Present"
-"6,7,8,9,10,11,12,13,14,15-Decahydrocyclododeca[g]pteridine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6,7,8,9,10,11,12,13,14,15-Decahydrocyclododeca[g]pteridine-2,4-diamine","","C1CCCCCC2=C(CCCC1)N=C3C(=NC(=NC3=N2)N)N","DALYAYWASLGRMT-UHFFFAOYSA-N","311931",NA,"PDBC27262","219498","Present"
-"6,7,8,9-Tetrafluoro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one","","","","","","","","","","","","","","","","","","","","6,7,8,9-Tetrafluoro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one","","C1CN2C(=O)C3=C(C(=C(C(=C3SC2=N1)F)F)F)F","XAUUAHZXDUBTFR-UHFFFAOYSA-N","383500",NA,"PDBC27263","671885","Present"
-"6,7,8,9-Tetrafluoro-5H-imidazo[2,1-b][1,3]benzothiazin-5-one","","","","","","","","","","","","","","","","","","","","6,7,8,9-Tetrafluoro-5H-imidazo[2,1-b][1,3]benzothiazin-5-one","","C1=CN2C(=O)C3=C(C(=C(C(=C3SC2=N1)F)F)F)F","PDYJWECYSBQFPG-UHFFFAOYSA-N","383499",NA,"PDBC27264","671884","Present"
-"6,7,8,9-Tetrahydro-1H-pyrimido[5',4':3,4]pyrrolo[1,2-a]azepine-2,4(3H,5H)-dione","","","","","","","","","","","","","","","","","","","","4,6,9-Triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-3,5-dione","","C1CCC2=C3C(=CN2CC1)NC(=O)NC3=O","ACODYNGKSKENBG-UHFFFAOYSA-N","394194",NA,"PDBC27265","697463","Present"
-"6,7,8,9-Tetrahydro-5H-dibenzo[c,g]carbazole","","","","","","","","","","","","","","","","","","","","ACM117766877","","C1CC2=C(C3=CC=CC=C31)C4=C(N2)CCC5=CC=CC=C54","CHMSQWXOEBBYGI-UHFFFAOYSA-N","378060",NA,"PDBC27266","659751","Present"
-"6,7,8,9-Tetrahydro-5H-pyrazolo[1,2-a]diazepin-3-one;hydrochloride","","","","","","","","","","","","","","","","","","","","6,7,8,9-Tetrahydro-5H-pyrazolo[1,2-a]diazepin-3-one","","C1CCN2C=CC(=O)N2CC1.Cl","SJNRIGACLLWBOM-UHFFFAOYSA-N","385003",NA,"PDBC27267","675834","Present"
-"6,7,8,9-Tetrahydro-6-(4-methoxybenzylidene)-5H-benzocycloheptene-5-one","","","","","","","","","","","","","","","","","","","","6,7,8,9-Tetrahydro-6-(4-methoxybenzylidene)-5H-benzocycloheptene-5-one","","COC1=CC=C(C=C1)C=C2CCCC3=CC=CC=C3C2=O","RVHBOFDLRWNNMW-DTQAZKPQSA-N","5351433",NA,"PDBC27268","687667","Present"
-"6,7,8,9-Tetrakis[(4-chlorophenyl)sulfanyl]-2,3-dihydrobenzo[g][1,4]benzodithiine-5,10-dione","","","","","","","","","","","","","","","","","","","","6,7,8,9-Tetrakis[(4-chlorophenyl)sulfanyl]-2,3-dihydrobenzo[g][1,4]benzodithiine-5,10-dione","","C1CSC2=C(S1)C(=O)C3=C(C2=O)C(=C(C(=C3SC4=CC=C(C=C4)Cl)SC5=CC=C(C=C5)Cl)SC6=CC=C(C=C6)Cl)SC7=CC=C(C=C7)Cl","ORFVLGXNFZNFEX-UHFFFAOYSA-N","388897",NA,"PDBC27269","684127","Present"
-"6,7,8-Trioxabicyclo[3.2.1]oct-2-yl acetate","","","","","","","","","","","","","","","","","","","","6,7,8-Trioxabicyclo[3.2.1]oct-2-yl acetate","","CC(=O)OC1CCC2OC1OO2","SRNSUEFQKGIEPL-UHFFFAOYSA-N","360969",NA,"PDBC27270","623700","Present"
-"6,7,8-Trioxabicyclo[3.2.1]octan-4-yl 4-nitrobenzoate","","","","","","","","","","","","","","","","","","","","6,7,8-Trioxabicyclo[3.2.1]oct-2-yl 4-nitrobenzoate","","C1CC2OC(C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OO2","MVGQRQHLQWUYRF-UHFFFAOYSA-N","360971",NA,"PDBC27271","623702","Present"
-"6,7,9,11-Tetramethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","6,7,9,11-tetramethyl-4-(5-methyl-1H-benzo[d]imidazol-1-y...","","CC1CC2=C(N=CN=C2N(C3=CC(=CC(=C13)C)C)C)N4C=NC5=C4C=CC(=C5)C","KDJHBDABEWHIRG-UHFFFAOYSA-N","155808593",NA,"PDBC27272","788711","Present"
-"6,7-Bis(1-adamantyl)-6,7-dimethyl-3-phenyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione","","","","","","","","","","","","","","","","","","","","6,7-Bis(1-adamantyl)-6,7-dimethyl-3-phenyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione","","CC1(C(N2N1C(=O)N(C2=O)C3=CC=CC=C3)(C)C45CC6CC(C4)CC(C6)C5)C78CC9CC(C7)CC(C9)C8","HHGMZZJKEWJEKB-UHFFFAOYSA-N","391631",NA,"PDBC27273","691117","Present"
-"6,7-Bis(4-methoxyphenyl)-1-methyl-2,2-dioxo-pyrazino[2,3-c][1,2,6]thiadiazin-4-imine","","","","","","","","","","","","","","","","","","","","6,7-Bis(4-methoxyphenyl)-1-methyl-2,2-dioxo-pyrazino[2,3-c][1,2,6]thiadiazin-4-imine","","CN1C2=NC(=C(N=C2C(=NS1(=O)=O)N)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","GPRRHLKURLZYPL-UHFFFAOYSA-N","374620",NA,"PDBC27274","652589","Present"
-"6,7-Bis(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one","","","","","","","","","","","","","","","","","","","","6,7-Bis(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one","","COC1=CC=C(C=C1)C2=C(C(=O)N3CCCC3C2)C4=CC=C(C=C4)OC","UAYCRIGNNUIBHW-UHFFFAOYSA-N","24202597",NA,"PDBC27275","707907","Present"
-"6,7-Bis(4-methoxyphenyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","","","","","","","","","","","","","","","","","","","6,7-Bis(4-methoxyphenyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","CN1C(=O)N2C(=C(N2C1=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","NNJMJNXEPXQRHE-UHFFFAOYSA-N","391628",NA,"PDBC27276","691114","Present"
-"6,7-Bromo-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) quinazoline","","","","","","","","","","","","","","","","","","","","6,7-bromo-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) quina...","","COC1=CC=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)Br)C4=CC=CS4","VSMNUHNIUVRJIN-UHFFFAOYSA-N","405780",NA,"PDBC27277","723423","Present"
-"6,7-Bromo-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2-thienyl)quinazoline","","","","","","","","","","","","","","","","","","","","6,7-bromo-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2- th...","","C1CN(CCN1C2=CC=CC=C2C(F)(F)F)C3=NC(=NC4=C3C=C(C=C4)Br)C5=CC=CS5","ONEJMEZCNNEXJX-UHFFFAOYSA-N","405772",NA,"PDBC27278","723415","Present"
-"6,7-Bromo-4-[1-(phenyl)-4-piprazinyl]-2-(2-thienyl) quinazoline","","","","","","","","","","","","","","","","","","","","6,7-bromo-4-[1-(phenyl)-4-piprazinyl]-2-(2-thienyl) quin...","","C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC4=C3C=C(C=C4)Br)C5=CC=CS5","KKYGCYBYJXLYFU-UHFFFAOYSA-N","405771",NA,"PDBC27279","723414","Present"
-"6,7-Diacetoxy-4'-methoxyisoflavan","","","","","","","","","","","","","","","","","","","","6,7-Diacetoxy-4'-methoxyisoflavan","","CC(=O)OC1=C(C=C2C(=C1)CC(CO2)C3=CC=C(C=C3)OC)OC(=O)C","NQTGQJQEARMJCW-UHFFFAOYSA-N","353127",NA,"PDBC27280","600287","Present"
-"6,7-Diacetoxy-4'-methylisoflavan","","","","","","","","","","","","","","","","","","","","6,7-Diacetoxy-4'-methylisoflavan","","CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)OC(=O)C)OC(=O)C","INOCXFGIUNJNMC-UHFFFAOYSA-N","353128",NA,"PDBC27281","600288","Present"
-"6,7-Diacetoxy-4-methylcoumarin","","","","","","","","","","","","","","","","","","","","ZS09RD1A9O","","CC1=CC(=O)OC2=CC(=C(C=C12)OC(=O)C)OC(=O)C","JMRACYBIVVGICX-UHFFFAOYSA-N","148769",NA,"PDBC27282","688798","Present"
-"6,7-Diacetoxyisoflavan","","","","","","","","","","","","","","","","","","","","6,7-Diacetoxyisoflavan","","CC(=O)OC1=C(C=C2C(=C1)CC(CO2)C3=CC=CC=C3)OC(=O)C","YUFASPAYFKAVGR-UHFFFAOYSA-N","353129",NA,"PDBC27283","600289","Present"
-"6,7-Diamino-1,4-dihydroquinoxaline-2,3-dione","","","","","","","","","","","","","","","","","","","","2,3-Quinoxalinediol, 6,7-diamino-","","C1=C(C(=CC2=C1NC(=O)C(=O)N2)N)N","UQFVBUQKARNKBS-UHFFFAOYSA-N","381320",NA,"PDBC27284","667841","Present"
-"6,7-Dibromo-2,3-dichloro-3-(chloromethyl)-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","6,7-Dibromo-2,3-dichloro-3-(chloromethyl)-7-methyloct-1-ene","","CC(C)(C(CCC(CCl)(C(=C)Cl)Cl)Br)Br","OIAPZPRVTLHFSD-UHFFFAOYSA-N","379564",NA,"PDBC27285","664246","Present"
-"6,7-Dibromo-3-(bromomethyl)-2,3-dichloro-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","6,7-Dibromo-3-(bromomethyl)-2,3-dichloro-7-methyloct-1-ene","","CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Br","IMLDFYLIYLKGGB-UHFFFAOYSA-N","380127",NA,"PDBC27286","665533","Present"
-"6,7-Dibromo-3-(bromomethyl)-7-methyl-1-octene","","","","","","","","","","","","","","","","","","","","6,7-dibromo-3-(bromomethyl)-7-methyl-1-octene","","CC(C)(C(CCC(CBr)C=C)Br)Br","DDAFCJUPWFHYDG-UHFFFAOYSA-N","379042",NA,"PDBC27287","662813","Present"
-"6,7-Dibromo-3-(chloromethyl)-7-methyl-2-octenyl acetate","","","","","","","","","","","","","","","","","","","","6,7-dibromo-3-(chloromethyl)-7-methyl-2-octenyl acetate","","CC(=O)OCC=C(CCC(C(C)(C)Br)Br)CCl.CC(=O)OCC=C(CCC(C(C)(C)Br)Br)CCl","ARMZUUZHULSRBM-CJUPLKJXSA-N","5468041",NA,"PDBC27288","662818","Present"
-"6,7-Dichloro-1,4-benzodioxan-2-methanol","","","","","","","","","","","","","","","","","","","","LS-34411","","C1C(OC2=CC(=C(C=C2O1)Cl)Cl)CO","YSKZPQPJOWLVSP-UHFFFAOYSA-N","16563",NA,"PDBC27289","663622","Present"
-"6,7-Dichloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","6,7-Dichloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=CC(=C(C=C3N2C(S1)C4=C(C=CC=C4F)F)Cl)Cl","UNWMWGMVLBGSJO-UHFFFAOYSA-N","384823",NA,"PDBC27290","675275","Present"
-"6,7-Dichloro-3-methyl-4-oxido-2-phenylsulfanylquinoxalin-1-ium 1-oxide","","","","","","","","","","","","","","","","","","","","6,7-dichloro-2-methyl-3-(phenylthio)quinoxaline 1,4-dioxide","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)SC3=CC=CC=C3","GUHFHLOCDAIDRQ-UHFFFAOYSA-N","10338132",NA,"PDBC27291","732317","Present"
-"6,7-Dichloro-8-hydroxy-5-quinolinesulfonic acid","","","","","","","","","","","","","","","","","","","","6,7-Dichloro-8-hydroxyquinoline-5-sulfonic acid","","C1=CC2=C(C(=C(C(=C2S(=O)(=O)O)Cl)Cl)O)N=C1","WVHUFCQKUTVQNX-UHFFFAOYSA-N","395841",NA,"PDBC27292","700844","Present"
-"6,7-Dichloro-9H-fluoren-2-amine","","","","","","","","","","","","","","","","","","","","6,7-Dichloro-9H-fluoren-2-amine","","C1C2=CC(=C(C=C2C3=C1C=C(C=C3)N)Cl)Cl","PAILPOTUYGAUEW-UHFFFAOYSA-N","254996",NA,"PDBC27293","80141","Present"
-"6,7-Dichloro-N-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide","","","","","","","","","","","","","","","","","","","","6,7-Dichloro-N-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide","","C1CCN(C1)CCNC2CCC3=CC(=C(C=C3C2)Cl)Cl.Br","XMLNLNIMNUVLTB-UHFFFAOYSA-N","401833",NA,"PDBC27294","715547","Present"
-"6,7-Dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide","","","","","","","","","","","","","","","","","","","","6,7-Dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide","","CN(CCN1CCCC1)C2CCC3=CC(=C(C=C3C2)Cl)Cl.Br","NNHPVNNHUXQLPA-UHFFFAOYSA-N","401838",NA,"PDBC27295","715550","Present"
-"6,7-Dichloroquinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","da 3002","","C1=CC2=C(C(=O)C(=C(C2=O)Cl)Cl)N=C1","TUWOPVCIIBKUQS-UHFFFAOYSA-N","96582",NA,"PDBC27296","81047","Present"
-"6,7-Difluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine","","","","","","","","","","","","","","","","","","","","6,7-Difluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine","","C1CC2=C(C3=CC(=C(C=C3N=C2C1)F)F)N","XPUQPBGSKNECLY-UHFFFAOYSA-N","402659",NA,"PDBC27297","716846","Present"
-"6,7-Difluoro-2-phenyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","Neuro_000394","","C1=CC=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3N2)F)F","MNZITAKTJMKTGP-UHFFFAOYSA-N","380407",NA,"PDBC27298","665929","Present"
-"6,7-Difluoro-2-phenyl-3-(3,4,5-trimethoxyphenoxy)quinoxaline","","","","","","","","","","","","","","","","","","","","6,7-Difluoro-2-phenyl-3-(3,4,5-trimethoxyphenoxy)quinoxaline","","COC1=CC(=CC(=C1OC)OC)OC2=NC3=CC(=C(C=C3N=C2C4=CC=CC=C4)F)F","GPYMWQUCSSLUAF-UHFFFAOYSA-N","394496",NA,"PDBC27299","698041","Present"
-"6,7-Difluoro-3-methyl-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","FMOBBPRFTMLFEM-UHFFFAOYSA-N","","CC1=NC2=CC(=C(C=C2NC1=O)F)F","FMOBBPRFTMLFEM-UHFFFAOYSA-N","389439",NA,"PDBC27300","685521","Present"
-"6,7-Difluoro-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","6,7-Difluoro-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC(=C(C=C3N=C2)F)F","QOPCKPSQKVGMMB-UHFFFAOYSA-N","394494",NA,"PDBC27301","698039","Present"
-"6,7-Difluorocryptolepine hydrochloride","","","","","","","","","","","","","","","","","","","","6,7-difluorocryptolepine hydrochloride","","CN1C2=CC=CC=C2C=C3C1=C4C(=N3)C=CC(=C4F)F.Cl","GNRQOBMJTJLVPX-UHFFFAOYSA-N","405330",NA,"PDBC27302","722547","Present"
-"6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one hydrazone","","","","","","","","","","","","","","","","","","","","6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one hydrazone","","C1CC2=NON=C2C(=NN)C1","CDXKNGZCYQAXOI-YWEYNIOJSA-N","5753108",NA,"PDBC27303","663947","Present"
-"6,7-Dihydro-5H-2,1,3-benzoxadiazol-4-one oxime","","","","","","","","","","","","","","","","","","","","SDCCGMLS-0065890.P001","","C1CC2=NON=C2C(=NO)C1","MPQCYPOGJHSLHA-DAXSKMNVSA-N","135410014",NA,"PDBC27304","663946","Present"
-"6,7-Dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline","","","","","","","","","","","","","","","","","","","","6,7-Dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline","","C1CC2=CC=CC=C2C3=NC4=CC=CC=C4C=C3C1","WHIFSYKDTNFOTO-UHFFFAOYSA-N","371228",NA,"PDBC27305","645285","Present"
-"6,7-Dihydro-5h-benzo[3,4]cyclohepta[1,2-b]quinolin-13-amine","","","","","","","","","","","","","","","","","","","","6,7-Dihydro-5h-benzo[3,4]cyclohepta[1,2-b]quinolin-13-amine","","C1CC2=CC=CC=C2C3=C(C4=CC=CC=C4N=C3C1)N","KNVYGKRLWWWPMH-UHFFFAOYSA-N","402658",NA,"PDBC27306","716845","Present"
-"6,7-Dihydroindolo[1,2-c][3]benzazepin-13-one","","","","","","","","","","","","","","","","","","","","6,7-Dihydroindolo[1,2-c][3]benzazepin-13-one","","C1CN2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C41","FDIGEYFZLWQQSC-UHFFFAOYSA-N","384993",NA,"PDBC27307","675820","Present"
-"6,7-Dihydroxy-1,12-perylenedione","","","","","","","","","","","","","","","","","","","","6,12-Dihydroxyperylene-1,7-dione","","C1=CC(=C2C3=C1C=CC(=O)C3=C4C(=CC=C5C4=C2C(=O)C=C5)O)O","OGQWRQMRBDFNKU-UHFFFAOYSA-N","362179",NA,"PDBC27308","625763","Present"
-"6,7-Dihydroxy-4'-methylisoflavan","","","","","","","","","","","","","","","","","","","","6,7-Dihydroxy-4'-methylisoflavan","","CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O","OKUSEYCLSBRHFB-UHFFFAOYSA-N","353126",NA,"PDBC27309","600286","Present"
-"6,7-Dihydroxy-4-methoxyisoflavan","","","","","","","","","","","","","","","","","","","","6,7-Dihydroxy-4-methoxyisoflavan","","COC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O","HEMAEFVLALEJDS-UHFFFAOYSA-N","156398",NA,"PDBC27310","600285","Present"
-"6,7-Dihydroxy-5-(hydroxymethyl)hexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one","","","","","","","","","","","","","","","","","","","","NSC651736///NSC651738","","C(C1C(C(C2C(O1)NC(=O)O2)O)O)O","OGXZKGPIPOPCFT-UHFFFAOYSA-N","374240",NA,"PDBC27311","651736///651738","Present"
-"6,7-Dihydroxyhexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one","","","","","","","","","","","","","","","","","","","","6,7-Dihydroxyhexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one","","C1C(C(C2C(O1)NC(=O)O2)O)O","NGGRTAGJJCEQOG-UHFFFAOYSA-N","374241",NA,"PDBC27312","651737","Present"
-"6,7-Dimethoxy-1,3-di(2-propynyl)-2,4(1H,3H)-quinazolinedione","","","","","","","","","","","","","","","","","","","","1,3-Bis(prop-2-inyl)-6,7-dimethoxy-quinzazolin-2,4-(1H,3...","","COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC#C)CC#C)OC","WLXYUQDBPGWWBO-UHFFFAOYSA-N","378827",NA,"PDBC27313","662145","Present"
-"6,7-Dimethoxy-1-(4-methoxybenzyl)-2-methylisoquinolinium iodide","","","","","","","","","","","","","","","","","","","","6,7-Dimethoxy-1-(4-methoxybenzyl)-2-methylisoquinolinium iodide","","C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC.[I-]","RKPMSHKYNLIMMU-UHFFFAOYSA-M","371243",NA,"PDBC27314","645300","Present"
-"6,7-Dimethoxy-1-[(4-methoxyphenyl)methyl]isoquinoline;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC645240","","COC1=CC=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC.Cl","XOBXGSAOYVDJIE-UHFFFAOYSA-N","371186",NA,"PDBC27315","645240","Present"
-"6,7-Dimethoxy-1-naphthalenamine","","","","","","","","","","","","","","","","","","","","5-Amino-2,3-dimethoxynaphthalene","","COC1=C(C=C2C(=C1)C=CC=C2N)OC","XWSTYNKWYKLHFJ-UHFFFAOYSA-N","387180",NA,"PDBC27316","680716","Present"
-"6,7-Dimethoxy-2-(2-thienyl)-3H-Quinazoline-4-one","","","","","","","","","","","","","","","","","","","","6,7-dimethoxy-2-(2-thienyl)-3H-Quinazoline-4-one","","COC1=C(C=C2C(=C1)C(=O)NC(=N2)C3=CC=CS3)OC","HCALDFYGBNYFQY-UHFFFAOYSA-N","135436428",NA,"PDBC27317","723411","Present"
-"6,7-Dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one","","","","","","","","","","","","","","","","","","","","6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazine-2-one","","COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=CS3)OC","XMPVZWXWJBMOPQ-UHFFFAOYSA-N","405767",NA,"PDBC27318","723410","Present"
-"6,7-Dimethoxy-2-(3-methoxy-phenyl)-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","6,7-Dimethoxy-2-(3-methoxyphenyl)quinolin-4(1h)-one","","COC1=CC=CC(=C1)C2=CC(=O)C3=CC(=C(C=C3N2)OC)OC","AZKCYXFUWAIBGV-UHFFFAOYSA-N","375364",NA,"PDBC27319","654988","Present"
-"6,7-Dimethoxy-2-[(4-methoxyphenyl)methyl]-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6,7-Dimethoxy-2-[(4-methoxyphenyl)methyl]-3H-quinazolin-4-one","","COC1=CC=C(C=C1)CC2=NC3=CC(=C(C=C3C(=O)N2)OC)OC","YKWALTHRJTVQQM-UHFFFAOYSA-N","135958473",NA,"PDBC27320","745414","Present"
-"6,7-Dimethoxy-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","6,7-Dimethoxy-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid","","CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC=CC=C3","FAHLWUDIZRLJRT-UHFFFAOYSA-N","371205",NA,"PDBC27321","645255","Present"
-"6,7-Dimethoxy-2-naphthoic acid","","","","","","","","","","","","","","","","","","","","ST6JFH1YV0","","COC1=C(C=C2C=C(C=CC2=C1)C(=O)O)OC","XMOYHYGPKOVFJI-UHFFFAOYSA-N","283028",NA,"PDBC27322","137208","Present"
-"6,7-Dimethoxy-2-phenyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","KUC100232","","COC1=C(C=C2C(=C1)C(=O)C=C(N2)C3=CC=CC=C3)OC","WYKXXNRFYDQUDT-UHFFFAOYSA-N","381132",NA,"PDBC27323","667449","Present"
-"6,7-Dimethoxy-3,4-dihydroisoquinoline","","","","","","","","","","","","","","","","","","","","KSC571E8H","","COC1=C(C=C2C=NCCC2=C1)OC","NSLJVQUDZCZJLK-UHFFFAOYSA-N","30058",NA,"PDBC27324","627588","Present"
-"6,7-Dimethoxy-3-(4-methoxy-6-methyl-9-nitro-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one;hydrochloride","","","","","","","","","","","","","","","","","","","","6,7-Dimethoxy-3-(4-methoxy-6-methyl-9-nitro-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one;hydrochloride","","CN1CCC2=C(C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2[N+](=O)[O-])OCO5)OC.Cl","QHXAXBRDZXAXBX-UHFFFAOYSA-N","45027982",NA,"PDBC27325","740487","Present"
-"6,7-Dimethoxy-3-phenylisoquinoline","","","","","","","","","","","","","","","","","","","","ISUPSL100300","","COC1=C(C=C2C=NC(=CC2=C1)C3=CC=CC=C3)OC","HWDYURZFTCCAGV-UHFFFAOYSA-N","327861",NA,"PDBC27326","304636","Present"
-"6,7-Dimethoxy-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) quinazoline","","","","","","","","","","","","","","","","","","","","6,7-dimethoxy-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) q...","","COC1=CC=CC(=C1)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CS4","LGTIJWNJRMQPNJ-UHFFFAOYSA-N","405779",NA,"PDBC27327","723422","Present"
-"6,7-Dimethoxy-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2-thienyl)quinazoline","","","","","","","","","","","","","","","","","","","","6,7-dimethoxy-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2...","","COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4CCN(CC4)C5=CC=CC=C5C(F)(F)F)OC","NAZWFSVKOAAXDA-UHFFFAOYSA-N","405773",NA,"PDBC27328","723416","Present"
-"6,7-Dimethoxy-4-[1-(phenyl)-4-piprazinyl]-2-(2-thienyl) quinazoline","","","","","","","","","","","","","","","","","","","","6,7-dimethoxy-4-[1-(phenyl)-4-piprazinyl]-2-(2-thienyl) ...","","COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4CCN(CC4)C5=CC=CC=C5)OC","XIWONAYQMGSVDJ-UHFFFAOYSA-N","405770",NA,"PDBC27329","723413","Present"
-"6,7-Dimethoxy-4-methylcoumarin","","","","","","","","","","","","","","","","","","","","M95TSC752B","","CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC","GBYDSYPGGDKWGZ-UHFFFAOYSA-N","77966",NA,"PDBC27330","688797","Present"
-"6,7-Dimethoxy-methoxy-4-(3,4-dimethoxyphenyl)-3-hydroxymethyl-3,4-dihydro-2-naphthaldehyde","","","","","","","","","","","","","","","","","","","","6,7-dimethoxy-methoxy-4-(3,4-dimethoxyphenyl)-3-hydroxym...","","COC1=C(C=C(C=C1)C2C(C(=CC3=CC(=C(C=C23)OC)OC)C=O)CO)OC","RXYVJPMEMUTNAE-UGNFMNBCSA-N","60147549",NA,"PDBC27331","751516","Present"
-"6,7-Dimethoxybenzo[g]quinoline-2,4-diol","","","","","","","","","","","","","","","","","","","","6,7-Dimethoxybenzo[g]quinoline-2,4-diol","","COC1=C(C2=CC3=C(C=C2C=C1)NC(=O)C=C3O)OC","UZGGITVTWKKMDQ-UHFFFAOYSA-N","54688509",NA,"PDBC27332","282464","Present"
-"6,7-Dimethoxyisoquinoline-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","6,7-Dimethoxyisoquinoline-1-carbaldehyde","","COC1=C(C=C2C(=C1)C=CN=C2C=O)OC","UHZKUBULBNDNTD-UHFFFAOYSA-N","287724",NA,"PDBC27333","147811","Present"
-"6,7-Dimethyl-1,1-dioxo-3-phenyl-3,4-dihydro-2H-furo[3,2-b][1,4]thiazine-2-carbonitrile","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-3-phenyl-3,4-dihydro-2H-furo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide","","CC1=C(OC2=C1S(=O)(=O)C(C(N2)C3=CC=CC=C3)C#N)C","LAANPRKJUKZUFZ-UHFFFAOYSA-N","392834",NA,"PDBC27334","693812","Present"
-"6,7-Dimethyl-1,1-dioxo-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-1,1-dioxo-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile","","CC1=C(OC2=C1S(=O)(=O)C(=CN2)C#N)C","ILYGPVUKFZWDIN-UHFFFAOYSA-N","392831",NA,"PDBC27335","693809","Present"
-"6,7-Dimethyl-1,2,4-benzotriazin-3-amine 1-oxide","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-1,2,4-benzotriazin-3-amine 1-oxide","","CC1=CC2=C(C=C1C)[N+](=NC(=N2)N)[O-]","YAPMVAUXOLBROP-UHFFFAOYSA-N","494376",NA,"PDBC27336","617853","Present"
-"6,7-Dimethyl-2,3-dihydro-1,4-benzodioxine-5,8-dione","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-2,3-dihydro-1,4-benzodioxine-5,8-dione","","CC1=C(C(=O)C2=C(C1=O)OCCO2)C","ZFEJSMPGTOXUOK-UHFFFAOYSA-N","341021",NA,"PDBC27337","372391","Present"
-"6,7-Dimethyl-2-(2-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-2-(2-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O","UXTAMMYSHMKJCQ-UHFFFAOYSA-N","364112",NA,"PDBC27338","629781","Present"
-"6,7-Dimethyl-2-(3-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-2-(3-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC(=CC=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O","CJLZYURNBMGIRN-UHFFFAOYSA-N","364113",NA,"PDBC27339","629782","Present"
-"6,7-Dimethyl-2-(4-methyl-3-nitro-phenyl)-4-oxo-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-2-(4-methyl-3-nitrophenyl)-4-oxo-4H-chromene-8-carboxylic acid","","CC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O)[N+](=O)[O-]","QYGSQZMOUFCIHZ-UHFFFAOYSA-N","362321",NA,"PDBC27340","625957","Present"
-"6,7-Dimethyl-2-(4-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-2-(4-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid","","CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O","JMGFBWJVTVFYKM-UHFFFAOYSA-N","364116",NA,"PDBC27341","629785","Present"
-"6,7-Dimethyl-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol","","","","","","","","","","","","","","","","","","","","6,7-dimethyl-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dih...","","CC1=CC2=C(C=C1C)NC3=C(N2)C(=O)C(O3)C4=CNC5=C4C=C(C=C5)COC6=CC=CC=C6","ZGMKVTNCNWKNBX-UHFFFAOYSA-N","340951",NA,"PDBC27342","372280","Present"
-"6,7-Dimethyl-2-(methylthio)-4-pteridinol","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-2-(methylthio)-4-pteridinol","","CC1=C(N=C2C(=N1)C(=O)NC(=N2)SC)C","SGBPOWRTGPTLQG-UHFFFAOYSA-N","135408968",NA,"PDBC27343","650995","Present"
-"6,7-Dimethyl-2-octenyl acetate","","","","","","","","","","","","","","","","","","","","6,7-dibromo-3,7-dimethyl-2-octenyl acetate","","CC(=CCOC(=O)C)CCC(C(C)(C)Br)Br","JLQMVQMYEIHAPP-VQHVLOKHSA-N","5468040",NA,"PDBC27344","662816","Present"
-"6,7-Dimethyl-2-phenylquinoxaline","","","","","","","","","","","","","","","","","","","Tyrphostin AG 1295","","","CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3","FQNCLVJEQCJWSU-UHFFFAOYSA-N","2048",NA,"PDBC27345","","Absent"
-"6,7-Dimethyl-3,4-dihydrochromen-2-one","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-3,4-dihydrochromen-2-one","","CC1=CC2=C(C=C1C)OC(=O)CC2","OPMIAXHEZHTQDH-UHFFFAOYSA-N","227628",NA,"PDBC27346","19527","Present"
-"6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]","CYZVABSONGPERE-UHFFFAOYSA-N","394345",NA,"PDBC27347","697715","Present"
-"6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile","","CC1=CC2=C(C=C1C)N=C(C(=N2)C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]","LLXVMAZTEPNSQR-UHFFFAOYSA-N","395037",NA,"PDBC27348","699221","Present"
-"6,7-Dimethyl-3-phenyl-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-3-phenyl-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide","","CC1=C(OC2=C1S(=O)(=O)C(=C(N2)C3=CC=CC=C3)C#N)C","IPHHUEKSLDRPMN-UHFFFAOYSA-N","392829",NA,"PDBC27349","693807","Present"
-"6,7-Dimethyl-4-[(2Z)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-4-[(2Z)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one","","CC1=CC2=C(C=C1C)OC(=O)C=C2OCC=C3CCC(=O)O3","MQOQCBKCAACGAA-XGICHPGQSA-N","24205380",NA,"PDBC27350","735332","Present"
-"6,7-Dimethyl-4-oxo-2-(2-thienyl)-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-4-oxo-2-(2-thienyl)-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=CS3","HLCUCOWOXBLOSU-UHFFFAOYSA-N","364120",NA,"PDBC27351","629789","Present"
-"6,7-Dimethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC","WYGZBLPTVVZJTD-UHFFFAOYSA-N","364115",NA,"PDBC27352","629784","Present"
-"6,7-Dimethyl-4-oxo-2-[4-(trifluoromethyl)phenyl]chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-4-oxo-2-[4-(trifluoromethyl)phenyl]chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)C(F)(F)F","KHTNAMUYXJAPGK-UHFFFAOYSA-N","362323",NA,"PDBC27353","625959","Present"
-"6,7-Dimethyl-4-oxo-2-pyridin-4-yl-4H-chromene-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-4-oxo-2-pyridin-4-yl-4H-chromene-8-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=NC=C3","REPHLLFXIJIPMA-UHFFFAOYSA-N","367586",NA,"PDBC27354","637418","Present"
-"6,7-Dimethyl-5,8-dihydronaphthalene-1,4-diol","","","","","","","","","","","","","","","","","","","","6,7-Dimethyl-5,8-dihydronaphthalene-1,4-diol","","CC1=C(CC2=C(C=CC(=C2C1)O)O)C","JVVDSVZRKMEJCJ-UHFFFAOYSA-N","343914",NA,"PDBC27355","400529","Present"
-"6,7-Dithia-2,11-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene-3,10-dione","","","","","","","","","","","","","","","","","","","","6,7-Dithia-2,11-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene-3,10-dione","","C1CSSCCC(=O)NC2=CC=CC=C2NC1=O","BMSVBOMXRWMLMO-UHFFFAOYSA-N","382457",NA,"PDBC27356","670024","Present"
-"6,8,10,12-Tetrachloro-3lambda4-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),2,3,5,7,9(13),10-heptaene","","","","","","","","","","","","","","","","","","","","6,8,10,12-Tetrachloro-3lambda4-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),2,3,5,7,9(13),10-heptaene","","C1=C(C2=C3C(=C1Cl)N=S=NC3=C(C=C2Cl)Cl)Cl","GBDFHYKADPKBOB-UHFFFAOYSA-N","363039",NA,"PDBC27357","627583","Present"
-"6,8,10-Trimethylpurino[7,8-a]quinazoline-5,9,11-trione","","","","","","","","","","","","","","","","","","","","Purino[7,8-a]quinazoline-5,9,11-trione, 6,8,10-trimethyl-","","CN1C2=C(C(=O)N(C1=O)C)N3C4=CC=CC=C4C(=O)N(C3=N2)C","PESRKTGIPJCHCL-UHFFFAOYSA-N","389767",NA,"PDBC27358","686363","Present"
-"6,8,11-Trimethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","6,8,11-trimethyl-4-(5-methyl-1H-benzo[d]imidazol-1-yl)-6...","","CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)C)C)N4C=NC5=C4C=CC(=C5)C","AQEHZRJUUXYELN-UHFFFAOYSA-N","155813335",NA,"PDBC27359","788710","Present"
-"6,8,8-Trimethyl-3-(4-methylphenyl)-7,8-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazepine","","","","","","","","","","","","","","","","","","","","6,8,8-Trimethyl-3-(4-methylphenyl)-7,8-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazepine","","CC1=NN2C(=CSC2=NC(C1)(C)C)C3=CC=C(C=C3)C","MFNVJXIJXFLVOY-UHFFFAOYSA-N","371384",NA,"PDBC27360","645603","Present"
-"6,8,8-Trimethyl-3-(4-nitrophenyl)-7H-thiazolo[3,2-b][1,2,4]triazepine","","","","","","","","","","","","","","","","","","","","6,8,8-Trimethyl-3-(4-nitrophenyl)-7,8-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazepine","","CC1=NN2C(=CSC2=NC(C1)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]","SVSNVCRCOAMSLN-UHFFFAOYSA-N","371383",NA,"PDBC27361","645602","Present"
-"6,8,9,10-Tetrahydroimidazo[2,1-b]quinazolin-5(7H)-one","","","","","","","","","","","","","","","","","","","","6,8,9,10-Tetrahydroimidazo[2,1-b]quinazolin-5(7H)-one","","C1CCC2=C(C1)C(=O)N3C=CN=C3N2","KCYDHLHOCYCEFK-UHFFFAOYSA-N","379147",NA,"PDBC27362","663548","Present"
-"6,8-Bis(4-(dimethylamino)benzyl)-1,4-dihydroxy-7H-benzo(a)cyclohepten-7-one","","","","","","","","","","","","","","","","","","","","6,8-Bis(p-dimethylaminobenzyl)-1,4-dihydroxy-benzocycloh...","","CN(C)C1=CC=C(C=C1)CC2=CC3=C(C=CC(=C3C=C(C2=O)CC4=CC=C(C=C4)N(C)C)O)O","ZKHPWXJFZAWDGA-UHFFFAOYSA-N","5466111",NA,"PDBC27363","676441","Present"
-"6,8-Bis(4-chlorophenyl)-1-methyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","","","","","","","","","","","","","","","","","","","6,8-Bis(4-chlorophenyl)-1-methyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione","","CN1C2(C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)SC=N1","DFXCSSNQSQSCJG-UHFFFAOYSA-N","364470",NA,"PDBC27364","630737","Present"
-"6,8-Bis(4-chlorophenyl)imidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","6,8-Bis(4-chlorophenyl)imidazo[1,2-a]pyrazine","","C1=CC(=CC=C1C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl)Cl","MFEFXLIBUHBLRX-UHFFFAOYSA-N","11371203",NA,"PDBC27365","731106","Present"
-"6,8-Bis(phenylthio)-1H-benzocycloheptene-1,4,7-trione","","","","","","","","","","","","","","","","","","","","6,8-Bis(phenylsulfanyl)-1H-benzo[7]annulene-1,4,7-trione","","C1=CC=C(C=C1)SC2=CC3=C(C=C(C2=O)SC4=CC=CC=C4)C(=O)C=CC3=O","FGRXJKKXKLHCFB-UHFFFAOYSA-N","375761",NA,"PDBC27366","655910","Present"
-"6,8-Dibromo-2-(2-chloroethyl)-3-(2-hydroxyethyl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6,8-Dibromo-2-(2-chloroethyl)-3-(2-hydroxyethyl)quinazolin-4(3H)-one","","C1=C(C=C(C2=C1C(=O)N(C(=N2)CCCl)CCO)Br)Br","CXZDRUQJFYDFRP-UHFFFAOYSA-N","369100",NA,"PDBC27367","640657","Present"
-"6,8-Dibromo-2-(2-chloroethyl)-3-(4-hydroxy-3-nitrophenyl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6,8-Dibromo-2-(2-chloroethyl)-3-(4-hydroxy-3-nitrophenyl)quinazolin-4(3H)-one","","C1=CC(=C(C=C1N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)CCCl)[N+](=O)[O-])O","RGXXLUCJQPOADK-UHFFFAOYSA-N","369099",NA,"PDBC27368","640656","Present"
-"6,8-Dibromo-3-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6,8-Dibromo-3-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)thiazol-2-yl]methyl]quinazolin-4-one","","COC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC4=C(C=C(C=C4Br)Br)C(=O)N3C5=CC=C(C=C5)OC","SORJXWPCANNSSL-UHFFFAOYSA-N","397926",NA,"PDBC27369","706982","Present"
-"6,8-Dibromo-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","6,8-Dibromo-3-[4-(4-methoxyphenyl)thiazol-2-yl]-2-phenyl-quinazolin-4-one","","COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C5=CC=CC=C5","UTOCJVUHUIXATD-UHFFFAOYSA-N","397927",NA,"PDBC27370","706983","Present"
-"6,8-Dibromo-3-[4-[(5-hydroxyquinolin-8-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6,8-Dibromo-3-[4-[(5-hydroxyquinolin-8-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one","","C1=CC2=C(C=CC(=C2N=C1)N=NC3=CC=C(C=C3)N4C(=O)C5=C(C(=CC(=C5)Br)Br)NC4=S)O","LTXCVRLOURQHFE-UHFFFAOYSA-N","135426750",NA,"PDBC27371","716040","Present"
-"6,8-Dibromo-3-phenyl-2-thioxo-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6,8-Dibromo-3-phenyl-2-thioxo-1H-quinazolin-4-one","","C1=CC=C(C=C1)N2C(=O)C3=C(C(=CC(=C3)Br)Br)NC2=S","PXCFVKWCZXVTGE-UHFFFAOYSA-N","1268742",NA,"PDBC27372","639727","Present"
-"6,8-Dibromo-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","6,8-dibromo-7-(4-methoxybenzyl)-5,7-dihydro-4H-[1,3]thia...","","COC1=CC=C(C=C1)CN2C(=C3CCC4=C(C3=C2Br)N=C(S4)N)Br","BRLSVDGLKOWQRS-UHFFFAOYSA-N","155811361",NA,"PDBC27373","766942","Present"
-"6,8-Dichloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide","","","","","","","","","","","","","","","","","","","","6,8-Dichloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide","","CC1=CC2=C(C3=C(C2=O)C(=CC(=C3)Cl)Cl)C(=C1C)C(=O)N","DZCZMOGKNUULEW-UHFFFAOYSA-N","367000",NA,"PDBC27374","636328","Present"
-"6,8-Dichloro-2-imino-N-naphthalen-1-ylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","6,8-Dichloro-2-imino-N-naphthalen-1-ylchromene-3-carboxamide","","C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC(=CC(=C4OC3=N)Cl)Cl","XBTKQJBBYVNKFQ-UHFFFAOYSA-N","397095",NA,"PDBC27375","704408","Present"
-"6,8-Dichloro-2-imino-N-pyridin-2-ylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","6,8-Dichloro-2-imino-N-pyridin-2-ylchromene-3-carboxamide","","C1=CC=NC(=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=N)Cl)Cl","ZPOOWQUXNFTLAN-UHFFFAOYSA-N","399120",NA,"PDBC27376","709539","Present"
-"6,8-Dichloro-3-(3,4-dimethoxyphenyl)chromen-2-one","","","","","","","","","","","","","","","","","","","","6,8-Dichloro-3-(3,4-dimethoxyphenyl)chromen-2-one","","COC1=C(C=C(C=C1)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl)OC","PHAYCARGQPYORP-UHFFFAOYSA-N","388102",NA,"PDBC27377","682565","Present"
-"6,8-Dichloro-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)chromen-2-one","","","","","","","","","","","","","","","","","","","","6,8-Dichloro-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2h-chromen-2-one","","C1CN2C(=CSC2=N1)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl","XZLYPCMEVJEZEL-UHFFFAOYSA-N","403450",NA,"PDBC27378","718317","Present"
-"6,8-Dichloro-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one","","","","","","","","","","","","","","","","","","","","6,8-Dichloro-3-imidazo[2,1-b][1,3]benzothiazol-2-yl-2h-chromen-2-one","","C1=CC=C2C(=C1)N3C=C(N=C3S2)C4=CC5=CC(=CC(=C5OC4=O)Cl)Cl","GPMQBJZALDSYCO-UHFFFAOYSA-N","403447",NA,"PDBC27379","718314","Present"
-"6,8-Dichloro-3-methyl-2-thioxo-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6,8-Dichloro-3-methyl-2-thioxo-1H-quinazolin-4-one","","CN1C(=O)C2=C(C(=CC(=C2)Cl)Cl)NC1=S","BPBOAESBFYNODY-UHFFFAOYSA-N","3004471",NA,"PDBC27380","657451","Present"
-"6,8-Dichloro-4-methyl-2,3-dihydrofuro[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","6,8-Dichloro-4-methyl-2,3-dihydrofuro[3,2-c]quinoline","","CC1=C2CCOC2=C3C=C(C=C(C3=N1)Cl)Cl","FNYRWWVSAJXKKB-UHFFFAOYSA-N","387229",NA,"PDBC27381","680791","Present"
-"6,8-Dichloro-4-methyl-5-[[3-(diethylamino)propyl]amino]pyrimido[4,5-b]quinolin-2-ol","","","","","","","","","","","","","","","","","","","","6,8-Dichloro-5-{[3-(diethylamino)propyl]amino}-4-methylpyrimido[4,5-b]quinolin-2(3H)-one","","CCN(CC)CCCNC1=C2C(=CC(=CC2=NC3=NC(=O)NC(=C13)C)Cl)Cl","VIUWXCLIKUZIRJ-UHFFFAOYSA-N","382106",NA,"PDBC27382","669470","Present"
-"6,8-Dichloro-4b-methyl-5H-isoindolo[2,1-a]benzimidazol-11-one","","","","","","","","","","","","","","","","","","","","6,8-Dichloro-4b-methyl-5H-isoindolo[2,1-a]benzimidazol-11-one","","CC12C3=CC=CC=C3C(=O)N1C4=C(N2)C(=CC(=C4)Cl)Cl","VRVNISVHUKVGOE-UHFFFAOYSA-N","385041",NA,"PDBC27383","675962","Present"
-"6,8-Dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline","","","","","","","","","","","","","","","","","","","","(S)-(+)-1,3-Dimethyl-3,4-dihydro-6,8-dimethoxyisoquinoline","","CC1CC2=C(C(=N1)C)C(=CC(=C2)OC)OC","GZBGZFKNOCVESD-UHFFFAOYSA-N","378443",NA,"PDBC27384","660982","Present"
-"6,8-Dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine","","","","","","","","","","","","","","","","","","","","6,8-Dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine","","COC1CC(OC2C1OC(OC2)C3=CC=CC=C3)OC","DHICYDCVZJTOAV-UHFFFAOYSA-N","360950",NA,"PDBC27385","623666","Present"
-"6,8-Dimethoxy-3-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,2-dione","","","","","","","","","","","","","","","","","","","","6,8-Dimethoxy-3-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,2-dione","","CC1(OCCCO1)CC2=CC3=C(C(=CC(=C3)OC)OC)C(=O)C2=O","KDUMZSZKLZBDOQ-UHFFFAOYSA-N","372273",NA,"PDBC27386","647329","Present"
-"6,8-Dimethoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","6,8-Dimethoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline","","CC1=C2CCNC2=C3C=C(C=C(C3=N1)OC)OC","ISCFTPATSJORAR-UHFFFAOYSA-N","380609",NA,"PDBC27387","666284","Present"
-"6,8-Dimethyl-7,8-dihydro-pteridine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6,8-Dimethyl-7,8-dihydro-pteridine-2,4-diamine","","CC1=NC2=C(N=C(N=C2N(C1)C)N)N","WDRJDXYRKJOINM-UHFFFAOYSA-N","393102",NA,"PDBC27388","694487","Present"
-"6,8-Dioxa-12-azapentacyclo[11.9.0.03,11.05,9.014,19]docosa-1(13),3,5(9),10,14,16,18-heptaen-2-one","","","","","","","","","","","","","","","","","","","","6,8-Dioxa-12-azapentacyclo[11.9.0.03,11.05,9.014,19]docosa-1(13),3,5(9),10,14,16,18-heptaen-2-one","","C1CC2=CC=CC=C2C3=C(C1)C(=O)C4=CC5=C(C=C4N3)OCO5","DQXAWFSTXPMMEP-UHFFFAOYSA-N","378310",NA,"PDBC27389","660314","Present"
-"6,8-Diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine","","","","","","","","","","","","","","","","","","","","6,8-Diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine","","C1C(NC2=NC=NC(=C2N=C1C3=CC=CC=C3)N)C4=CC=CC=C4","UVGYDOAGCNVGSL-UHFFFAOYSA-N","388802",NA,"PDBC27390","683888","Present"
-"6,8-dihydroxy-3-(3,4-dihydroxyphenyl)-4-methylisocoumarin","","","","","","","","","","","","","","","","","","","","6,8-dihydroxy-3-(3,4-dihydroxyphenyl)-4-methylisocoumarin","","CC1=C(OC(=O)C2=C1C=C(C=C2O)O)C3=CC(=C(C=C3)O)O","CQQJUHJOTHJYEV-UHFFFAOYSA-N","5473311",NA,"PDBC27391","725016","Present"
-"6,9-Dihydro-6,9-ethanobenzo[g]isoquinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","6,9-ethanobenz[g]isoquinoline-5,10-dione, 6,9-dihydro-","","C1CC2C=CC1C3=C2C(=O)C4=C(C3=O)C=CN=C4","NCNRQBOCQNWNKQ-UHFFFAOYSA-N","334273",NA,"PDBC27392","338698","Present"
-"6,9-Dihydro-9-(3,4,5-trimethoxyphenyl)furo[3',4':5,6]pyrano[2,3-F]-1,3-benzodioxole-8-one","","","","","","","","","","","","","","","","","","","","Furo[3',4':5,6]pyrano[2,3-f]-1,3-benzodioxole-8-one, 6,9...","","COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4","DWWALFYNQWNXFV-UHFFFAOYSA-N","358793",NA,"PDBC27393","618862","Present"
-"6,9-Dihydroxyanthra[2,3-d]thiazole-5,10-dione","","","","","","","","","","","","","","","","","","","","6,9-Dihydroxyanthra[2,3-d]thiazole-5,10-dione","","C1=CC(=C2C(=C1O)C(=O)C3=CC4=C(C=C3C2=O)SC=N4)O","HTGXOYBESBPOSI-UHFFFAOYSA-N","395766",NA,"PDBC27394","700585","Present"
-"6,9-Dihydroxybenzo[g]isoquinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","6,9-Dihydroxybenzo[g]isoquinoline-5,10-dione","","C1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C=NC=C3)O","FQKWIZGNBZNVIS-UHFFFAOYSA-N","431317",NA,"PDBC27395","291926","Present"
-"6,9-Dimethoxy-3-phenylnaphtho[1,2-c]furan-1(3H)-one","","","","","","","","","","","","","","","","","","","","6,9-Dimethoxy-3-phenylnaphtho[1,2-c]furan-1(3H)-one","","COC1=C2C=CC3=C(C2=C(C=C1)OC)C(=O)OC3C4=CC=CC=C4","VDDXJAQZAMOPLW-UHFFFAOYSA-N","362102",NA,"PDBC27396","625630","Present"
-"6,9-Dimethyl-phenothiazone","","","","","","","","","","","","","","","","","","","","6,9-Dimethyl-phenothiazone","","CC1=C2C(=C(C=C1)C)SC3=CC(=O)C=CC3=N2","BXKDVWREKPIWIK-UHFFFAOYSA-N","369392",NA,"PDBC27397","641156","Present"
-"6,9-Ethanobenzo[g]quinoxaline-5,10-diol, 6,9-dihydro-2,3-dimethyl-","","","","","","","","","","","","","","","","","","","","6,9-Ethanobenzo[g]quinoxaline-5,10-diol, 6,9-dihydro- 2,...","","CC1=C(N=C2C(=C3C4CCC(C3=C(C2=N1)O)C=C4)O)C","GMUBHLSDGMVJMG-UHFFFAOYSA-N","135409115",NA,"PDBC27398","658387","Present"
-"6,9-Ethanobenzo[g]quinoxaline-5,10-dione, 6,9-dihydro-2,3-dimethyl-","","","","","","","","","","","","","","","","","","","","6,9-Ethanobenzo[g]quinoxaline-5,10-dione, 6,9-dihydro-2,3-dimethyl-","","CC1=C(N=C2C(=N1)C(=O)C3=C(C2=O)C4CCC3C=C4)C","QGLROAKDEITONM-UHFFFAOYSA-N","353637",NA,"PDBC27399","602610","Present"
-"6,9a-Dimethyl-2,7-dioxododecahydronaphtho[2,1-b]furan-6-carbaldehyde","","","","","","","","","","","","","","","","","","","","6,9a-Dimethyl-2,7-dioxododecahydronaphtho[2,1-b]furan-6-carbaldehyde","","CC12CCC(=O)C(C1CCC3C2CC(=O)O3)(C)C=O","HCWZQNNOOOZJLI-UHFFFAOYSA-N","363005",NA,"PDBC27400","627544","Present"
-"6-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromene","","","","","","","","","","","","","","","","","","","","6-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromene","","COC1=C2C(=C(C3=C1C=CO3)OC)OC=C(C2=O)S(=O)(=O)NC(=O)NC4=CC=C(C=C4)Cl","JZAAKSWCNUGBMT-UHFFFAOYSA-N","379469",NA,"PDBC27401","664022","Present"
-"6-((1-Oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)-4-indanecarboxylic acid","","","","","","","","","","","","","","","","","","","","6-((1-Oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)-4-indanecarboxylic acid","","C1CC2=CC3=C(C=C2C1)C(=O)C(C3)CC4=CC5=C(CCC5)C(=C4)C(=O)O","ASHCVHNGCCGOMG-UHFFFAOYSA-N","382685",NA,"PDBC27402","670333","Present"
-"6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-ylamine","","","","","","","","","","","","","","","","","","","","9h-purine, 2-amino-6-(2,4-dichlorobenzylthio)-9-isobutyl-","","CC(C)CN1C=NC2=C1N=C(N=C2SCC3=C(C=C(C=C3)Cl)Cl)N","MLXSKOFAXKBMOL-UHFFFAOYSA-N","240896",NA,"PDBC27403","47786","Present"
-"6-((2-Chlorophenyl)diazenyl)-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-((2-Chlorophenyl)diazenyl)-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide","","CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4Cl)OC2=O","HYENGBBCWLYETF-UHFFFAOYSA-N","370464",NA,"PDBC27404","643595","Present"
-"6-((2-Ethoxyphenyl)diazenyl)-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-((2-Ethoxyphenyl)diazenyl)-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide","","CCOC1=CC=CC=C1N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=CC(=C4)C","VLBVIPHPPAURDO-UHFFFAOYSA-N","369378",NA,"PDBC27405","641140","Present"
-"6-((2-Hydroxyethyl)amino)-1,3-dimethyl-2,4(1H,3H)-pteridinedione","","","","","","","","","","","","","","","","","","","","6-((2-Hydroxyethyl)amino)-1,3-dimethyl-2,4(1H,3H)-pteridinedione","","CN1C2=NC=C(N=C2C(=O)N(C1=O)C)NCCO","VZTKOMDHUMKXIF-UHFFFAOYSA-N","375734",NA,"PDBC27406","655743","Present"
-"6-((2-Hydroxyethyl)thio)-1,3,5-triphenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","6-((2-Hydroxyethyl)thio)-1,3,5-triphenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone","","C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SCCO","LGFITQNPWHLSOA-UHFFFAOYSA-N","383057",NA,"PDBC27407","671101","Present"
-"6-((2-Hydroxyphenyl)(4-morpholinyl)methyl)-1,3-benzodioxol-5-ol","","","","","","","","","","","","","","","","","","","","6-((2-Hydroxyphenyl)(4-morpholinyl)methyl)-1,3-benzodioxol-5-ol","","C1COCCN1C(C2=CC=CC=C2O)C3=CC4=C(C=C3O)OCO4","ZTWUKTVOOCFFCZ-UHFFFAOYSA-N","381381",NA,"PDBC27408","667921","Present"
-"6-((2-Oxopropyl)thio)-1,3,5-triphenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","6-((2-Oxopropyl)thio)-1,3,5-triphenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone","","CC(=O)CSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","AQIWIJYXWOFYBJ-UHFFFAOYSA-N","383055",NA,"PDBC27409","671099","Present"
-"6-((3,4-Dichlorophenyl)diazenyl)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pyrimidinedione, 6-[(3,4-dichlorophenyl)azo]-","","C1=CC(=C(C=C1N=NC2=CC(=O)NC(=O)N2)Cl)Cl","NYYDLONKIRRDKD-UHFFFAOYSA-N","389514",NA,"PDBC27410","685804","Present"
-"6-((3,4-Dichlorophenyl)diazenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","6-((3,4-Dichlorophenyl)diazenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione","","CN1C(=O)C=C(NC1=O)N=NC2=CC(=C(C=C2)Cl)Cl","VETFBHVSALSEBV-UHFFFAOYSA-N","385860",NA,"PDBC27411","677259","Present"
-"6-((3,4-Dimethylphenyl)diazenyl)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-((3,4-Dimethylphenyl)diazenyl)-2,4-pyrimidinediol","","CC1=C(C=C(C=C1)N=NC2=CC(=O)NC(=O)N2)C","IUARPJOOFZMFQC-UHFFFAOYSA-N","385857",NA,"PDBC27412","677256","Present"
-"6-((3-Fluorobenzyl)thio)-9-tetrahydro-2-thienyl-9H-purine","","","","","","","","","","","","","","","","","","","","6-((3-Fluorobenzyl)thio)-9-tetrahydro-2-thienyl-9H-purine","","C1CC(SC1)N2C=NC3=C2N=CN=C3SCC4=CC(=CC=C4)F","CVZOCYIRMVPLHT-UHFFFAOYSA-N","245224",NA,"PDBC27413","56939","Present"
-"6-((4,5-Dihydro-2-pyrimidinylamino)(2-hydroxy-3-methoxyphenyl)methyl)-1,3-benzodioxol-5-ol","","","","","","","","","","","","","","","","","","","","6-((4,5-Dihydro-2-pyrimidinylamino)(2-hydroxy-3-methoxyphenyl)methyl)-1,3-benzodioxol-5-ol","","COC1=CC=CC(=C1O)C(C2=CC3=C(C=C2O)OCO3)NC4=NCCC=N4","KJVXAPMCCRGFHA-UHFFFAOYSA-N","381382",NA,"PDBC27414","667922","Present"
-"6-((4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)acetyl)-5-chloro-3-methyl-1,3-benzoxazol-2(3H)-one","","","","","","","","","","","","","","","","","","","","6-((4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)acetyl)-5-chloro-3-methyl-1,3-benzoxazol-2(3H)-one","","CN1C2=C(C=C(C(=C2)Cl)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC1=O","FOBSUYQVPNGGJB-UHFFFAOYSA-N","384070",NA,"PDBC27415","673292","Present"
-"6-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)-5-methyl-3-phenylimidazo(2,1-b)(1,3)thiazole","","","","","","","","","","","","","","","","","","","","6-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)-5-methyl-3-phenylimidazo(2,1-b)(1,3)thiazole","","CC1=C(N=C2N1C(=CS2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-]","KFYKXFZNZAHSDY-UHFFFAOYSA-N","340996",NA,"PDBC27416","372335","Present"
-"6-((4-Bromophenyl)diazenyl)-2-mercapto-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","6-[(E)-(4-bromophenyl)azo]-2-sulfanyl-pyrimidin-4-ol","","C1=CC(=CC=C1N=NC2=CC(=O)NC(=S)N2)Br","IFKBPRPRSUOAMP-UHFFFAOYSA-N","3005147",NA,"PDBC27417","677261","Present"
-"6-((4-Chlorobenzyl)thio)-9-propyl-9H-purin-2-amine","","","","","","","","","","","","","","","","","","","","6-((4-Chlorobenzyl)thio)-9-propyl-9H-purin-2-amine","","CCCN1C=NC2=C1N=C(N=C2SCC3=CC=C(C=C3)Cl)N","HJXBNHVNJYYCRG-UHFFFAOYSA-N","238856",NA,"PDBC27418","43414","Present"
-"6-((4-Chlorobenzyl)thio)-9-tetrahydro-2H-pyran-2-yl-9H-purine","","","","","","","","","","","","","","","","","","","","6-((4-Chlorobenzyl)thio)-9-tetrahydro-2H-pyran-2-yl-9H-purine","","C1CCOC(C1)N2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)Cl","OCKAZLMFYPPBPL-UHFFFAOYSA-N","243154",NA,"PDBC27419","52440","Present"
-"6-((4-Ethoxyphenyl)diazenyl)-N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-((4-Ethoxyphenyl)diazenyl)-N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide","","CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=C(C=C4)OC","FVKXZRYEJHVOSZ-UHFFFAOYSA-N","369377",NA,"PDBC27420","641139","Present"
-"6-((4-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)(2-methoxyphenyl)methyl)-1,3-benzodioxol-5-yl acetate","","","","","","","","","","","","","","","","","","","","6-((4-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)(2-methoxyphenyl)methyl)-1,3-benzodioxol-5-yl acetate","","CC(=O)OC1=CC2=C(C=C1C(C3=CC=CC=C3OC)C4=C(COC4=O)O)OCO2","GNJCTGNSYOIDRI-UHFFFAOYSA-N","54681650",NA,"PDBC27421","665486","Present"
-"6-((4-Methoxyphenyl)(2-pyrimidinylamino)methyl)-1,3-benzodioxol-5-ol","","","","","","","","","","","","","","","","","","","","6-((4-Methoxyphenyl)(2-pyrimidinylamino)methyl)-1,3-benzodioxol-5-ol","","COC1=CC=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)NC4=NC=CC=N4","IJLYHFDMMYWAIQ-UHFFFAOYSA-N","339904",NA,"PDBC27422","368270","Present"
-"6-((4-Methoxyphenyl)diazenyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-((4-Methoxyphenyl)diazenyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide","","COC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=CC=C4","HPLQFFDDUBHGMA-UHFFFAOYSA-N","378942",NA,"PDBC27423","662450","Present"
-"6-((4-Methoxyphenyl)diazenyl)-N-(2-methylphenyl)-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-((4-Methoxyphenyl)diazenyl)-N-(2-methylphenyl)-2-oxo-2H-chromene-3-carboxamide","","CC1=CC=CC=C1NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)OC)OC2=O","ZJVMYWTYUAFFOA-UHFFFAOYSA-N","378943",NA,"PDBC27424","662451","Present"
-"6-((4-Methoxyphenyl)imino)[1,2]dithiolo[4,3-c][1,2]dithiole-3(6H)-thione","","","","","","","","","","","","","","","","","","","","6-((4-Methoxyphenyl)imino)[1,2]dithiolo[4,3-c][1,2]dithiole-3(6H)-thione","","COC1=CC=C(C=C1)N=C2C3=C(C(=S)SS3)SS2","FVECGOHKWKHWCW-UHFFFAOYSA-N","364157",NA,"PDBC27425","629829","Present"
-"6-((4-Methylphenyl)sulfonyl)-6aH-benzo[5,6]indeno[2,1-b]quinoline-7,12-dione","","","","","","","","","","","","","","","","","","","","12-(4-Methylphenyl)sulfonyl-10-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1,3,5,7,9,11,15,17,19-nonaene-14,21-dione","","CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C4C2C(=O)C5=CC=CC=C5C4=O)C=C6C=CC=CC6=N3","OBVHXMPLYALSLH-UHFFFAOYSA-N","375031",NA,"PDBC27426","653857","Present"
-"6-((6-((6-Amino-2-pyridinyl)ethynyl)-2-pyridinyl)ethynyl)-2-pyridinamine","","","","","","","","","","","","","","","","","","","","6,6'-(pyridine-2,6-diyldiethyne-2,1-diyl)dipyridin-2-amine","","C1=CC(=NC(=C1)C#CC2=NC(=CC=C2)N)C#CC3=NC(=CC=C3)N","XHFQAENVWRIDMF-UHFFFAOYSA-N","391025",NA,"PDBC27427","689448","Present"
-"6-((Benzyloxy)methyl)-2,2-dimethyl-3a,6a-dihydro-4H-cyclopenta[d][1,3]dioxol-4-one","","","","","","","","","","","","","","","","","","","","(+-)-3-Benzyloxymethyl-4,5-isopropylidene-2- cyclopenten...","","CC1(OC2C(O1)C(=O)C=C2COCC3=CC=CC=C3)C","IMMAKCSFQZGDHG-UHFFFAOYSA-N","341170",NA,"PDBC27428","611439","Present"
-"6-((Cyclohexylmethyl)amino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","F1967-3331","","C1CCC(CC1)CNC2=CC(=O)NC(=O)N2","YAUWWHKVPYXRRS-UHFFFAOYSA-N","385851",NA,"PDBC27429","677250","Present"
-"6-((E)-Styryl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-((E)-Styryl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C=CC4=CC=CC=C4","LHJNKMCREMQIKG-VOTSOKGWSA-N","5934142",NA,"PDBC27430","657276","Present"
-"6-((Hydroxyimino)methyl)-3-pyridinyl diethylcarbamate","","","","","","","","","","","","","","","","","","","","6-((Hydroxyimino)methyl)-3-pyridinyl diethylcarbamate","","CCN(CC)C(=O)OC1=CN=C(C=C1)C=NO","AFJZELHSFWBABZ-NTUHNPAUSA-N","135499213",NA,"PDBC27431","644877","Present"
-"6-(1,3-Benzodioxol-5-yl)-8-(4-chlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine","","","","","","","","","","","","","","","","","","","","6-(1,3-Benzodioxol-5-yl)-8-(4-chlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine","","C1C(NC2=NC=NC(=C2N=C1C3=CC4=C(C=C3)OCO4)N)C5=CC=C(C=C5)Cl","RPLUJBSVCSJQCG-UHFFFAOYSA-N","25110635",NA,"PDBC27432","743962","Present"
-"6-(1,3-Benzodioxol-5-yl)-8-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine","","","","","","","","","","","","","","","","","","","","6-(1,3-Benzodioxol-5-yl)-8-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine","","C1C(NC2=NC=NC(=C2N=C1C3=CC4=C(C=C3)OCO4)N)C5=CC=C(C=C5)[N+](=O)[O-]","HEZNLJMOBUEHHH-UHFFFAOYSA-N","25110634",NA,"PDBC27433","743961","Present"
-"6-(1,3-Benzodioxol-5-ylmethyl)benzo[d][2]benzazepine-5,7-dione","","","","","","","","","","","","","","","","","","","","6-(1,3-Benzodioxol-5-ylmethyl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione","","C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C5=CC=CC=C5C3=O","GBBSJVJKJAPRFA-UHFFFAOYSA-N","278035",NA,"PDBC27434","127130","Present"
-"6-(1,3-Decadiyn-1-yl)-2(2H)-pyranone","","","","","","","","","","","","","","","","","","","","6-(1,3-decadiyn-1-yl)-2(2H)-pyranone","","CCCCCCC#CC#CC1=CC=CC(=O)O1","XNVYFLTWNDZFOA-UHFFFAOYSA-N","11775948",NA,"PDBC27435","727040","Present"
-"6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one","","","","","","","","","","","","","","","","","","","","Phenol, 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-","","C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=CC=CC=C5O","USJRSBYEUBALIV-UHFFFAOYSA-N","332972",NA,"PDBC27436","332670","Present"
-"6-(1,3-Octadiyn-1-yl)-2(2H)-pyranone","","","","","","","","","","","","","","","","","","","","6-(1,3-octadiyn-1-yl)-2(2H)-pyranone","","CCCCC#CC#CC1=CC=CC(=O)O1","JSCGLMWLZSEUNY-UHFFFAOYSA-N","11287117",NA,"PDBC27437","726862","Present"
-"6-(1,4-Oxazinan-4-yl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl]ethyl}h exahydro-1-pyrazinyl)pentylhexahydro-1-pyrazinyl}ethyl-2,3-d ihydro-1H-benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","6-(1,4-oxazinan-4-yl)-2-(2-{4-[5-(4-{2-[6-(1,4-oxazinan-...","","C1CN(CCN1CCCCCN2CCN(CC2)CCN3C(=O)C4=C5C(=C(C=C4)N6CCOCC6)C=CC=C5C3=O)CCN7C(=O)C8=C9C(=C(C=C8)N1CCOCC1)C=CC=C9C7=O","KRVIJDQAZGBBBA-UHFFFAOYSA-N","24205464",NA,"PDBC27438","735822","Present"
-"6-(1-Benzofuran-2-yl)-4-(4-chlorophenyl)-2-methylsulfanylpyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(1-Benzofuran-2-yl)-4-(4-chlorophenyl)-2-methylsulfanylpyridine-3-carbonitrile","","CSC1=C(C(=CC(=N1)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)Cl)C#N","ZIJQSUWQJPGPHF-UHFFFAOYSA-N","45029032",NA,"PDBC27439","745287","Present"
-"6-(1-Benzofuran-2-yl)-4-(4-methylpiperazin-1-yl)-2-oxopyran-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(1-Benzofuran-2-yl)-4-(4-methylpiperazin-1-yl)-2-oxo-2H-pyran-3-carbonitrile","","CN1CCN(CC1)C2=C(C(=O)OC(=C2)C3=CC4=CC=CC=C4O3)C#N","CCIHOGDJTSIUNT-UHFFFAOYSA-N","360617",NA,"PDBC27440","622922","Present"
-"6-(1-Benzofuran-2-yl)-4-(4-methylpiperidin-1-yl)-2-oxopyran-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(1-Benzofuran-2-yl)-4-(4-methylpiperidin-1-yl)-2-oxo-2H-pyran-3-carbonitrile","","CC1CCN(CC1)C2=C(C(=O)OC(=C2)C3=CC4=CC=CC=C4O3)C#N","NSQJTCHNSAUKNC-UHFFFAOYSA-N","360616",NA,"PDBC27441","622921","Present"
-"6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-2-phenyl-4-quinazolinol","","","","","","","","","","","","","","","","","","","","6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-2-phenyl-4-quinazolinol","","C1=CC=C(C=C1)C=C(C2=C(C=C3C(=C2)C(=O)NC(=N3)C4=CC=CC=C4)[N+](=O)[O-])Cl","RXDOLZCKFNLTOY-WQRHYEAKSA-N","135484982",NA,"PDBC27442","626526","Present"
-"6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-3-phenyl-4-quinolinol","","","","","","","","","","","","","","","","","","","","6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-3-phenyl-4-quinolinol","","C1=CC=C(C=C1)C=C(C2=C(C=C3C(=C2)C(=O)C(=CN3)C4=CC=CC=C4)[N+](=O)[O-])Cl","HVYIIKIMQGEMEM-JAIQZWGSSA-N","5903258",NA,"PDBC27443","626527","Present"
-"6-(1-Cyclohexylbenzimidazol-5-yl)-2-[2-(diethylamino)ethyl]benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","6-(1-cyclohexyl-1H-benzo[d]imidazol-5-yl)-2-(2-(diethyla...","","CCN(CC)CCN1C(=O)C2=C3C(=C(C=C2)C4=CC5=C(C=C4)N(C=N5)C6CCCCC6)C=CC=C3C1=O","MCLCORNKCDYNPF-UHFFFAOYSA-N","155809609",NA,"PDBC27444","800757","Present"
-"6-(1-Hydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol","","","","","","","","","","","","","","","","","","","","6-(1-Hydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol","","CC(C1C2C(C(O1)O)OC(O2)(C)C)O","ICBGDXBFVVCSND-UHFFFAOYSA-N","355454",NA,"PDBC27445","609072","Present"
-"6-(1-Methyl-1H-indol-3-yl)-3-(4-chlorophenyl)-1,2,4-triazin-5(2H)-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorophenyl)-6-(1-methylindol-3-yl)-2H-1,2,4-triazin-5-one","","CN1C=C(C2=CC=CC=C21)C3=NN=C(NC3=O)C4=CC=C(C=C4)Cl","DCHLORIPYBPNHK-UHFFFAOYSA-N","135426708",NA,"PDBC27446","710328","Present"
-"6-(1-Methyl-2-oxo-butyl)-3-[7-[6-(1-methyl-2-oxo-butyl)-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","3-[7-[5-Oxo-6-(3-oxopentan-2-yl)imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]-6-(3-oxopentan-2-yl)imidazo[2,1-c][1,2,4]triazol-5-one","","CCC(=O)C(C)C1=NC2=NN=C(N2C1=O)CCCCCCCC3=NN=C4N3C(=O)C(=N4)C(C)C(=O)CC","HLKSIASKKJKQGY-UHFFFAOYSA-N","362243",NA,"PDBC27447","625847","Present"
-"6-(1-Methyl-2-oxo-heptyl)-3-[7-[6-(1-methyl-2-oxo-heptyl)-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","6-(3-Oxooctan-2-yl)-3-[7-[5-oxo-6-(3-oxooctan-2-yl)imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one","","CCCCCC(=O)C(C)C1=NC2=NN=C(N2C1=O)CCCCCCCC3=NN=C4N3C(=O)C(=N4)C(C)C(=O)CCCCC","LJLRIOKCNULYRK-UHFFFAOYSA-N","362248",NA,"PDBC27448","625852","Present"
-"6-(1-Methylhydrazino)uracil","","","","","","","","","","","","","","","","","","","","6-(1-Methylhydrazino)uracil","","CN(C1=CC(=O)NC(=O)N1)N","QWORRGCLMAIWHJ-UHFFFAOYSA-N","385876",NA,"PDBC27449","677276","Present"
-"6-(1-Piperidinyl)-3,4-dihydro-2(1H)-quinoxalinone","","","","","","","","","","","","","","","","","","","","6-(1-Piperidinyl)-3,4-dihydro-2(1H)-quinoxalinone","","C1CCN(CC1)C2=CC3=C(C=C2)NC(=O)CN3","KBULWHZRYOZING-UHFFFAOYSA-N","393057",NA,"PDBC27450","694341","Present"
-"6-(1-Pyrrolidinyl(3,4,5-trimethoxyphenyl)methyl)-1,3-benzodioxol-5-ol","","","","","","","","","","","","","","","","","","","","6-[(3,4,5-Trimethoxyphenyl)-1-pyrrolidinylmethyl]-1,3-be...","","COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)N4CCCC4","QCXGNLZKUHBIHD-UHFFFAOYSA-N","340208",NA,"PDBC27451","370284","Present"
-"6-(10'-Tert-BOC-aminodecyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(10'-tert-BOC-aminodecyl)-5,6-dihydro-5,11-dioxo-11H-i...","","CC(C)(C)OC(=O)NCCCCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","DMMUQQPDXKDCIE-UHFFFAOYSA-N","16221318",NA,"PDBC27452","740270","Present"
-"6-(10'-Tert-BOC-aminododecyl)-5,11-dioxo-11H-indeno-[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(10'-tert-BOC-aminododecyl)-5,6-dihydro-5,11-dioxo-11H...","","CC(C)(C)OC(=O)NCCCCCCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","OLIZVMKUHOCYPM-UHFFFAOYSA-N","16221319",NA,"PDBC27453","740279","Present"
-"6-(10-Aminodecyl)-5,11-dioxo-11H-indeno[1,2-c]isoquiniline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(10-aminodecyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2-...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCCCCN.Cl","LBJFSYNATMYVTO-UHFFFAOYSA-N","16221207",NA,"PDBC27454","740522","Present"
-"6-(11-Aminoundecyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(11-aminoundecyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCCCCCN.Cl","DQXVACRONSJIKO-UHFFFAOYSA-N","16221323",NA,"PDBC27455","740510","Present"
-"6-(13-Hydroxy-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)hexanenitrile","","","","","","","","","","","","","","","","","","","","6-(6-Hydroxy-5,7-dioxo-6,7-dihydro-5H-indolo[2,3-a]pyrro...","","C1=CC=C2C(=C1)C3=C4C(=C5C6=CC=CC=C6N(C5=C3N2)CCCCCC#N)C(=O)N(C4=O)O","UQFONSNURLOAMH-UHFFFAOYSA-N","155807045",NA,"PDBC27456","781336","Present"
-"6-(13-Hydroxy-23-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)hexanenitrile","","","","","","","","","","","","","","","","","","","","6-(6-Hydroxy-13-methyl-5,7-dioxo-6,7-dihydro-5H-indolo[2...","","CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCCCCC#N)C(=O)N(C4=O)O","LAKYMYHTFLBAQU-UHFFFAOYSA-N","155808690",NA,"PDBC27457","781335","Present"
-"6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carbonitrile","","CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)C#N)C","XIMAWUNECBNVDK-UHFFFAOYSA-N","388078",NA,"PDBC27458","682541","Present"
-"6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carboxamide","","CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)C(=O)N)C","VPGICDLUPFNKAY-UHFFFAOYSA-N","388077",NA,"PDBC27459","682540","Present"
-"6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carboxylic acid","","CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)C(=O)O)C","GRIDATQBSWINOD-UHFFFAOYSA-N","388076",NA,"PDBC27460","682539","Present"
-"6-(1H-Indol-2-yl)quinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-(1H-Indol-2-yl)quinazoline-2,4-diamine","","C1=CC=C2C(=C1)C=C(N2)C3=CC4=C(C=C3)N=C(N=C4N)N","KXIFJNYJOVAMTJ-UHFFFAOYSA-N","402813",NA,"PDBC27461","717064","Present"
-"6-(1H-Indol-3-yl)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-phenyl-4,5-dihydropyridazin-3-one","","","","","","","","","","","","","","","","","","","","6-(1H-Indol-3-yl)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-phenyl-4,5-dihydropyridazin-3-one","","CC1=NNC(=O)C1C2CC(=NN(C2=O)C3=CC=CC=C3)C4=CNC5=CC=CC=C54","YEXUMQAANBDADK-UHFFFAOYSA-N","392031",NA,"PDBC27462","691830","Present"
-"6-(1H-Indol-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-(1H-Indol-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CNC5=CC=CC=C54","VCUYWIGKJZXRHY-UHFFFAOYSA-N","373178",NA,"PDBC27463","649127","Present"
-"6-(1H-Pyrrol-2-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-(1H-Pyrrol-2-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CN4","PVHCVBUOCBOEJW-UHFFFAOYSA-N","373175",NA,"PDBC27464","649124","Present"
-"6-(2,2'-Bithiophene-5-YL)nicotinamidine","","","","","","","","","","","","","","","","","","","","NSC766346","","C1=CSC(=C1)C2=CC=C(S2)C3=NC=C(C=C3)C(=N)N","FUHIHDHPHBAGCG-UHFFFAOYSA-N","76333764",NA,"PDBC27465","766346","Present"
-"6-(2,2-Dimethylhydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2,2-Dimethylhydrazino)-2,4-pyrimidinediol","","CN(C)NC1=CC(=O)NC(=O)N1","JGSJTPXGQTWTOF-UHFFFAOYSA-N","385866",NA,"PDBC27466","677265","Present"
-"6-(2,3,4,5-Tetrahydro-3,5-dioxo-1,2,4-triazine-6-yl)-5H-1,2,4-triazino[5,6-b]indole-3(2H)-one","","","","","","","","","","","","","","","","","","","","6-(3-Oxo-3,5-dihydro-2H-[1,2,4]triazino[5,6-b]indol-6-yl...","","C1=CC2=C(C(=C1)C3=NNC(=O)NC3=O)NC4=NC(=O)NN=C24","NDEFUAKASPWEGP-UHFFFAOYSA-N","135439499",NA,"PDBC27467","741616","Present"
-"6-(2,3,4-Trimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","6-(2,3,4-Trimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","COC1=C(C(=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4)OC)OC","YYFCKMGXGBYSNO-UHFFFAOYSA-N","374407",NA,"PDBC27468","652117","Present"
-"6-(2,4,5-Trimethoxy-3-methylbenzyl)-3-[(Z)-2,4,5-trimethoxy-3-methylbenzylidene]-1-acetylpiperazine-2,5-dione","","","","","","","","","","","","","","","","","","","","(3Z)-1-Acetyl-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione","","CC1=C(C(=CC(=C1OC)OC)CC2C(=O)NC(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2C(=O)C)OC","QVHCDQLNIRHUJF-GRSHGNNSSA-N","5387227",NA,"PDBC27469","622069","Present"
-"6-(2,4-Diaminoquinazolin-6-yl)sulfanylquinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","2,4-Quinazolinediamine, 6,6'-thiobis-","","C1=CC2=C(C=C1SC3=CC4=C(C=C3)N=C(N=C4N)N)C(=NC(=N2)N)N","QHMGHVKETQACHI-UHFFFAOYSA-N","393413",NA,"PDBC27470","695267","Present"
-"6-(2,4-Dihydroxy-3-quinolinyl)-N-(3-hydroxyphenyl)-2,4-dioxo-5-hexenamide","","","","","","","","","","","","","","","","","","","","6-(2,4-Dihydroxy-3-quinolinyl)-N-(3-hydroxyphenyl)-2,4-dioxo-5-hexenamide","","C1=CC=C2C(=C1)C(=C(C(=O)N2)C=CC(=O)CC(=O)C(=O)NC3=CC(=CC=C3)O)O","XIWXNBKRFZXUMO-CMDGGOBGSA-N","54719942",NA,"PDBC27471","649570","Present"
-"6-(2,4-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","6-(2,4-Dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","COC1=CC(=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4)OC","RSKUDFXPSUILEX-UHFFFAOYSA-N","374403",NA,"PDBC27472","652113","Present"
-"6-(2,5-Dichlorophenyl)-4-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine","","","","","","","","","","","","","","","","","","","","6-(2',5'-dichloro-phenyl)-4(4'-flouro-phenyl) - 1H -pyra...","","C1=CC(=CC=C1C2=CC(=NC3=NNC(=C23)N)C4=C(C=CC(=C4)Cl)Cl)F","SKGJUQFJXSWQSM-UHFFFAOYSA-N","24205058",NA,"PDBC27473","734133","Present"
-"6-(2,5-Dichlorophenyl)-4-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine","","","","","","","","","","","","","","","","","","","","6-(2',5'-dichloro-phenyl)-4(4'-methoxy-phenyl)-1H-pyrazo...","","COC1=CC=C(C=C1)C2=CC(=NC3=NNC(=C23)N)C4=C(C=CC(=C4)Cl)Cl","PTZPDGXEKATIBA-UHFFFAOYSA-N","24205054",NA,"PDBC27474","734129","Present"
-"6-(2,5-Dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","6-(2,5-Dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde","","C1=CC(=C(C=C1O)C2=C(N3C=CSC3=N2)C=O)O","MTECPXPMODJYGS-UHFFFAOYSA-N","11436870",NA,"PDBC27475","734218","Present"
-"6-(2,5-Dimethoxyanilino)-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-(2,5-Dimethoxyanilino)-9-methoxyindeno[1,2-c]quinolin-11-one","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3NC5=C(C=CC(=C5)OC)OC","VXKRGPMCVLYTBS-UHFFFAOYSA-N","24205582",NA,"PDBC27476","736191","Present"
-"6-(2,5-Dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","(6R,6S)-2,4-Diamino-6-(2,5-dimethoxybenzyl)-5,6,7,8-tetr...","","COC1=CC(=C(C=C1)OC)CC2CCC3=C(C2)C(=NC(=N3)N)N","YGCBRLOKQASAIE-UHFFFAOYSA-N","484959",NA,"PDBC27477","696662","Present"
-"6-(2,5-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","6-(2,5-Dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","DHCDLLDPADKCKN-UHFFFAOYSA-N","374404",NA,"PDBC27478","652114","Present"
-"6-(2,5-d]Pyrimidin-6(7H)-one-2(3H)-thione","","","","","","","","","","","","","","","","","","","","6-(2,4-Difluorophenylmethylideneamino)-3-(4-fluorophenyl...","","C1=CC(=CC=C1N2C3=C(C(=O)N(C=N3)N=CC4=C(C=C(C=C4)F)F)SC2=S)F","GAGZGMOACDAWNN-LIMNOBDPSA-N","9572600",NA,"PDBC27479","722185","Present"
-"6-(2,6-Dichlorophenyl)-2-(4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one","","","","","","","","","","","","","","","","","","","","2-(4-iodophenylamino)-6-(2,6-dichlorophenyl)-8-methylpyr...","","CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=C(C=C4)I","OKPRPWYLQUKXFE-UHFFFAOYSA-N","10029735",NA,"PDBC27480","735423","Present"
-"6-(2,6-Dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-D]pyrimidin-7(8H)-one","","","","","","","","","","","","","","","","","","","","2-(3-(hydroxymethyl)phenylamino)-6-(2,6-dichlorophenyl)-...","","CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=CC(=C4)CO","ZIQFYVPVJZEOFS-UHFFFAOYSA-N","447700",NA,"PDBC27481","735424","Present"
-"6-(2,6-Dichlorophenyl)-8-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","2-(4-morpholinophenylamino)-6-(2,6-dichlorophenyl)-8-met...","","CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=C(C=C4)N5CCOCC5","XZEJMVDCQZRHLN-UHFFFAOYSA-N","5328733",NA,"PDBC27482","735422","Present"
-"6-(2-(1-Naphthyl)hydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2-(1-Naphthyl)hydrazino)-2,4-pyrimidinediol","","C1=CC=C2C(=C1)C=CC=C2NNC3=CC(=O)NC(=O)N3","MFDXKIUENRQVLI-UHFFFAOYSA-N","385877",NA,"PDBC27483","677277","Present"
-"6-(2-(2-Ethylphenyl)hydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2-(2-Ethylphenyl)hydrazino)-2,4-pyrimidinediol","","CCC1=CC=CC=C1NNC2=CC(=O)NC(=O)N2","ADUYEKOFCWDXPB-UHFFFAOYSA-N","385873",NA,"PDBC27484","677273","Present"
-"6-(2-(2-Fluorophenyl)hydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2-(2-Fluorophenyl)hydrazino)-2,4-pyrimidinediol","","C1=CC=C(C(=C1)NNC2=CC(=O)NC(=O)N2)F","OHNOGQIAPVRWHB-UHFFFAOYSA-N","385878",NA,"PDBC27485","677278","Present"
-"6-(2-(3,4-Dichlorophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","6-(2-(3,4-Dichlorophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione","","CN1C(=O)C=C(NC1=O)NNC2=CC(=C(C=C2)Cl)Cl","FAOJFOCQYMFFCE-UHFFFAOYSA-N","385871",NA,"PDBC27486","677271","Present"
-"6-(2-(3-Chlorophenyl)hydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2-(3-Chlorophenyl)hydrazino)-2,4-pyrimidinediol","","C1=CC(=CC(=C1)Cl)NNC2=CC(=O)NC(=O)N2","JLJOTKKXGSPXNR-UHFFFAOYSA-N","385879",NA,"PDBC27487","677279","Present"
-"6-(2-(3-Fluorophenyl)hydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2-(3-Fluorophenyl)hydrazino)-2,4-pyrimidinediol","","C1=CC(=CC(=C1)F)NNC2=CC(=O)NC(=O)N2","QOYJEQNZSPVDEP-UHFFFAOYSA-N","385880",NA,"PDBC27488","677280","Present"
-"6-(2-(3-Fluorophenyl)hydrazino)-2-mercapto-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","6-[2-(3-fluorophenyl)hydrazino]-2-sulfanyl-pyrimidin-4-ol","","C1=CC(=CC(=C1)F)NNC2=CC(=O)NC(=S)N2","IGMIEXHTRBYSBU-UHFFFAOYSA-N","3005145",NA,"PDBC27489","677258","Present"
-"6-(2-(4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)-1-hydroxyethyl)-3-methyl-1,3-benzoxazol-2(3H)-one","","","","","","","","","","","","","","","","","","","","6-[2-[4-Piperonylpiperazin-1-yl]-1-hydroxyethyl]-3-methylbenzoxazol-2(3H)-one","","CN1C2=C(C=C(C=C2)C(CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O)OC1=O","DUADSNVEILLFPW-UHFFFAOYSA-N","384071",NA,"PDBC27490","673293","Present"
-"6-(2-(4-(Methylsulfonyl)phenyl)hydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2-(4-(Methylsulfonyl)phenyl)hydrazino)-2,4-pyrimidinediol","","CS(=O)(=O)C1=CC=C(C=C1)NNC2=CC(=O)NC(=O)N2","HFKKYLMVYGCIBR-UHFFFAOYSA-N","385882",NA,"PDBC27491","677282","Present"
-"6-(2-(4-Bromophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","6-(2-(4-Bromophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione","","CN1C(=O)C=C(NC1=O)NNC2=CC=C(C=C2)Br","OUHPTPPFKGQXKQ-UHFFFAOYSA-N","385869",NA,"PDBC27492","677268","Present"
-"6-(2-(4-Fluorophenyl)hydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2-(4-Fluorophenyl)hydrazino)-2,4-pyrimidinediol","","C1=CC(=CC=C1NNC2=CC(=O)NC(=O)N2)F","KPQKXOVIWTWESX-UHFFFAOYSA-N","385886",NA,"PDBC27493","677286","Present"
-"6-(2-(Benzyloxy)ethyl)-7-(3-(phenylsulfonyl)propyl)-8-oxa-1-azabicyclo[3.2.1]octane","","","","","","","","","","","","","","","","","","","","6-(2-(benzyloxy)ethyl)-7-(3-(phenylsulfonyl)propyl)-8-ox...","","C1CC2C(C(N(C1)O2)CCCS(=O)(=O)C3=CC=CC=C3)CCOCC4=CC=CC=C4","QETQYHWXDZFXAG-NHIDMIJISA-N","378413",NA,"PDBC27494","660832","Present"
-"6-(2-(Diethylamino)ethoxy)-2-9-dimethoxy-11H-indeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-(2-(diethylamino)ethoxy)-2-9-dimethoxy-11H-indeno[1,2-...","","CCN(CC)CCOC1=NC2=C(C=C(C=C2)OC)C3=C1C4=C(C3=O)C=C(C=C4)OC","DKQAHBHGPUNTSH-UHFFFAOYSA-N","54673453",NA,"PDBC27495","754237","Present"
-"6-(2-(Diethylamino)ethyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione","","","","","","","","","","","","","","","","","","","","6-(2-(Diethylamino)ethyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione","","CCN(CC)CCN1C(=O)C2=CC=CC=C2N3C1=NC4=C3C(=O)N(C(=O)N4C)C","BBXZOBBJFMADFW-UHFFFAOYSA-N","384892",NA,"PDBC27496","675574","Present"
-"6-(2-(Diethylamino)ethyl)-8,10-dimethylpyrido[3',2':5,6]pyrimido[2,1-f]purine-5,9,11(6H,8H,10H)-trione","","","","","","","","","","","","","","","","","","","","9-[2-(Diethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione","","CCN(CC)CCN1C(=O)C2=C(N=CC=C2)N3C1=NC4=C3C(=O)N(C(=O)N4C)C","GIHXMCKNJAOPJQ-UHFFFAOYSA-N","384893",NA,"PDBC27497","675575","Present"
-"6-(2-(Propan-2-ylidene)hydrazinyl)-9H-purine-9-beta-D-riboside","","","","","","","","","","","","","","","","","","","","6-(2-(propan-2-ylidene)hydrazinyl)-9H-purine-9-beta-D-ri...","","CC(=NNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C","MTMFOCHXZIRPQO-UHFFFAOYSA-N","60147745",NA,"PDBC27498","752330","Present"
-"6-(2-Acetyl-5-bromoanilino)quinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","NNZSFLLODLQQBM-UHFFFAOYSA-","","CC(=O)C1=C(C=C(C=C1)Br)NC2=CC(=O)C3=C(C2=O)C=CC=N3","NNZSFLLODLQQBM-UHFFFAOYSA-N","379706",NA,"PDBC27499","664579","Present"
-"6-(2-Amino-2-methylpropionamido)penicillanic acid","","","","","","","","","","","","","","","","","","","","NSC86714","","CC1(C(N2C(S1)C(C2=O)NC(=O)C(C)(C)N)C(=O)O)C","QRXBACILKXKZHO-GKROBHDKSA-N","258057",NA,"PDBC27500","86714","Present"
-"6-(2-Aminoethyl)-1,4-dihydroxyanthracene-9,10-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","6-(2-Aminoethyl)-1,4-dihydroxy-anthracene-9,10-dione hydrochloride","","C1=CC2=C(C=C1CCN)C(=O)C3=C(C=CC(=C3C2=O)O)O.Cl","AZDIQNORLGWCRU-UHFFFAOYSA-N","396202",NA,"PDBC27501","701754","Present"
-"6-(2-Aminophenyl)-5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione","","","","","","","","","","","","","","","","","","","","6-(2-Aminophenyl)-5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C5=CC=CC=C5N","RFRQLHAASBLMJW-UHFFFAOYSA-N","265731",NA,"PDBC27502","102068","Present"
-"6-(2-Benzylhydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2-Benzylhydrazino)-2,4-pyrimidinediol","","C1=CC=C(C=C1)CNNC2=CC(=O)NC(=O)N2","PYDBSZDGYZQQII-UHFFFAOYSA-N","385870",NA,"PDBC27503","677269","Present"
-"6-(2-Butynyl)-3-ethoxy-2-cyclohexen-1-one","","","","","","","","","","","","","","","","","","","","6-(2-Butynyl)-3-ethoxy-2-cyclohexen-1-one","","CCOC1=CC(=O)C(CC1)CC#CC","JNAMITDVSNLXBU-UHFFFAOYSA-N","361356",NA,"PDBC27504","624382","Present"
-"6-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)-5-indanecarboxylic acid","","","","","","","","","","","","","","","","","","","","6-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)-5-indanecarboxylic acid","","C1CC2=C(C1)C=C(C=C2)CC(CC3=C(C=C4CCCC4=C3)C(=O)O)C(=O)O","YAVADTCKKPLTJJ-UHFFFAOYSA-N","385646",NA,"PDBC27505","676993","Present"
-"6-(2-Carboxy-3-phenylpropyl)-5-indanecarboxylic acid","","","","","","","","","","","","","","","","","","","","6-(2-Carboxy-3-phenylpropyl)-5-indanecarboxylic acid","","C1CC2=CC(=C(C=C2C1)C(=O)O)CC(CC3=CC=CC=C3)C(=O)O","UNHANYSHVHZMDL-UHFFFAOYSA-N","385644",NA,"PDBC27506","676991","Present"
-"6-(2-Chloroethyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one","","","","","","","","","","","","","","","","","","","","6-(2-Chloroethyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one","","CC1=C(C(=O)N2C=NNC2=N1)CCCl","XZORPSOVAMQZOG-UHFFFAOYSA-N","379145",NA,"PDBC27507","663546","Present"
-"6-(2-Chloroethyl)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","","","","","","","","","","","","","","","","","","","6-(2-Chloroethyl)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","CC1=C(C(=O)N2C=CN=C2N1)CCCl","MLBLRYDEFOCXOY-UHFFFAOYSA-N","378332",NA,"PDBC27508","660341","Present"
-"6-(2-Chlorophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(2-chlorophenyl)-","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CC=C4Cl","SHMPNORMVOCNRJ-UHFFFAOYSA-N","376376",NA,"PDBC27509","657278","Present"
-"6-(2-Chlorophenyl)-3-[8-[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-(2-chlorophenyl)-3-[8-[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC=C(C(=C1)C2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)C6=CC=CC=C6Cl)Cl","CVLWNXJQGRZCNU-UHFFFAOYSA-N","395663",NA,"PDBC27510","700445","Present"
-"6-(2-Dimethylaminoethylamino)benzo[e]perimidin-7-one","","","","","","","","","","","","","","","","","","","","6-(2-Dimethylaminoethylamino)benzo[e]perimidin-7-one","","CN(C)CCNC1=C2C3=C(C=C1)N=CN=C3C4=CC=CC=C4C2=O","JAWUYNKUGTXXBO-UHFFFAOYSA-N","438787",NA,"PDBC27511","669965","Present"
-"6-(2-Ethoxyphenyl)-3-phenyl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine","","","","","","","","","","","","","","","","","","","","6-(2-Ethoxyphenyl)-3-phenyl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine","","CCOC1=CC=CC=C1N2CN3C(=NN=C3SC2)C4=CC=CC=C4","CNBLFSCTOANWLF-UHFFFAOYSA-N","391714",NA,"PDBC27512","691254","Present"
-"6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8(5H)-thione","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8(5H)-thione, 6-(2-fluorophen...","","C1OC2=C(O1)C=C3C(=C2)C(=S)C=C(N3)C4=CC=CC=C4F","RTKBTOBVVVSYDO-UHFFFAOYSA-N","3910131",NA,"PDBC27513","700269","Present"
-"6-(2-Fluorophenyl)-7-hydroxy-6,7-dihydro[1,3]dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(2-fluorophenyl)...","","C1OC2=C(O1)C=C3C(=C2)C(=O)C(C(N3)C4=CC=CC=C4F)O","VRYVHYNUXXKSBQ-UHFFFAOYSA-N","395568",NA,"PDBC27514","700274","Present"
-"6-(2-Furyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","6-(2-Furyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CO4","BBSBPOLEPQRKSF-UHFFFAOYSA-N","373176",NA,"PDBC27515","649125","Present"
-"6-(2-Furyl)-2-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-(2-nitrophenyl)-1-(4-pyridyl)-3,4-dihydro-2H-pyridine-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","2-[(1-Carboxy-2-hydroxyethyl)carbamoyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid","","C1=CC=C(C(=C1)C2C=C(N(C(C2C(=O)O)C(=O)NC(CO)C(=O)O)C3=CC=NC=C3)C4=CC=CO4)[N+](=O)[O-]","MFORGCBBPNSZSD-UHFFFAOYSA-N","392304",NA,"PDBC27516","692580","Present"
-"6-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","6-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylic acid","","C1=CC=C(C(=C1)C2C=C(N(C(=C2C(=O)O)C(=O)O)C3=CC=NC=C3)C4=CC=CO4)[N+](=O)[O-]","XMAWITGDXLGXBE-UHFFFAOYSA-N","392302",NA,"PDBC27517","692578","Present"
-"6-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-3-carboxylic acid","","C1=CC=C(C(=C1)C2C=C(N(C=C2C(=O)O)C3=CC=NC=C3)C4=CC=CO4)[N+](=O)[O-]","UYWYEVMQWWMDHS-UHFFFAOYSA-N","392306",NA,"PDBC27518","692582","Present"
-"6-(2-Furyl)-4-morpholino-2-thioxo-1H-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(2-Furyl)-4-morpholino-2-thioxo-1H-pyrimidine-5-carbonitrile","","C1COCCN1C2=NC(=S)NC(=C2C#N)C3=CC=CO3","VYGRDYUATGUHGI-UHFFFAOYSA-N","45028810",NA,"PDBC27519","744450","Present"
-"6-(2-Hydroxy-3-methoxybenzyl)aminopurine-9-riboside","","","","","","","","","","","","","","","","","","","","6-(2-hydroxy-3-methoxybenzyl)aminopurine-9-riboside","","COC1=CC=CC(=C1O)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O","SJHYLQCPNOPCPE-UHFFFAOYSA-N","45028717",NA,"PDBC27520","743891","Present"
-"6-(2-Hydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","6-(2-Hydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrimidin-2-one","","CC1=CC(=C(C=C1)O)C2=CC(=NC(=O)N2)C3=CC=C(C=C3)OC","QOEGUJGHJXQZKN-UHFFFAOYSA-N","359845",NA,"PDBC27521","621455","Present"
-"6-(2-Hydroxyethyl)-2,2-dioctyl-1,3,6,2-dioxazastannocane-4,8-dione","","","","","","","","","","","","","","","","","","","","6-(2-Hydroxyethyl)-2,2-dioctyl-1,3,6,2-dioxazastannocane-4,8-dione","","","","",NA,"PDBC27522","628567","Present"
-"6-(2-Hydroxyethyl)-5-methyltetraazolo[1,5-a]pyrimidin-7(3H)-one","","","","","","","","","","","","","","","","","","","","6-(2-Hydroxyethyl)-5-methyltetraazolo[1,5-a]pyrimidin-7(3H)-one","","CC1=C(C(=O)N2C(=N1)N=NN2)CCO","NVTPXYPSKJOOPO-UHFFFAOYSA-N","379755",NA,"PDBC27523","664727","Present"
-"6-(2-Hydroxyethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione","","","","","","","","","","","","","","","","","","","","5H-Indeno[1,2-c]isoquinoline-5,11(6H)-dione, 6-(2-hydrox...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCO","UHXGJXGJNJTBRV-UHFFFAOYSA-N","334474",NA,"PDBC27524","339705","Present"
-"6-(2-Hydroxyethyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one","","","","","","","","","","","","","","","","","","","","6-(2-Hydroxyethyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one","","CC1=C(C(=O)N2C=NNC2=N1)CCO","IWRMQEDJXXCKNT-UHFFFAOYSA-N","379144",NA,"PDBC27525","663545","Present"
-"6-(2-Hydroxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","","","","","","","","","","","","","","","","","","","6-(2-Hydroxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","CC1=C(C(=O)N2C=CN=C2N1)CCO","YQWVHVDRCIBXGV-UHFFFAOYSA-N","377281",NA,"PDBC27526","658534","Present"
-"6-(2-Hydroxyethyl)-7-phenyl[1,6]naphthyridin-5(6H)-one","","","","","","","","","","","","","","","","","","","","6-(2-Hydroxyethyl)-7-phenyl[1,6]naphthyridin-5(6H)-one","","C1=CC=C(C=C1)C2=CC3=C(C=CC=N3)C(=O)N2CCO","LEYKUYYKGCUASZ-UHFFFAOYSA-N","380392",NA,"PDBC27527","665909","Present"
-"6-(2-Methoxyethoxymethoxy)-2,2-dimethyl-4-prop-2-enyl-4H-1,3-benzodioxine","","","","","","","","","","","","","","","","","","","","6-(2-Methoxyethoxymethoxy)-2,2-dimethyl-4-prop-2-enyl-4H-1,3-benzodioxine","","CC1(OC(C2=C(O1)C=CC(=C2)OCOCCOC)CC=C)C","XHTYKXHQRLMWRR-UHFFFAOYSA-N","358362",NA,"PDBC27528","618328","Present"
-"6-(2-Methoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","6-(2-Methoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","COC1=CC=CC=C1C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","FMFZHVAQMJFXDO-UHFFFAOYSA-N","373170",NA,"PDBC27529","649119","Present"
-"6-(2-Methyl-2-phenylhydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2-Methyl-2-phenylhydrazino)-2,4-pyrimidinediol","","CN(C1=CC=CC=C1)NC2=CC(=O)NC(=O)N2","CKYKQAHCUJSVQS-UHFFFAOYSA-N","385883",NA,"PDBC27530","677283","Present"
-"6-(2-Methylpropyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(2-Methylpropyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile","","CC(C)CC1=CC(=C(C(=O)N1)C#N)C2=CC=CN2C","KREQRUWUIOPGBR-UHFFFAOYSA-N","24205320",NA,"PDBC27531","735027","Present"
-"6-(2-Morpholin-4-ylethylsulfanyl)-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one","","","","","","","","","","","","","","","","","","","","6-(2-Morpholinoethylsulfanyl)-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one","","C1COCCN1CCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","DXCUDBDYGIVXCN-UHFFFAOYSA-N","396743",NA,"PDBC27532","703453","Present"
-"6-(2-Morpholino-2-thioxo-ethyl)-3H-1,3-benzothiazol-2-one","","","","","","","","","","","","","","","","","","","","6-(2-Morpholino-2-thioxo-ethyl)-3H-1,3-benzothiazol-2-one","","C1COCCN1C(=S)CC2=CC3=C(C=C2)NC(=O)S3","ZMIUCVGMDFQPNV-UHFFFAOYSA-N","391470",NA,"PDBC27533","690675","Present"
-"6-(2-Morpholino-2-thioxo-ethyl)-3H-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","6-(2-Morpholino-2-thioxo-ethyl)-3H-1,3-benzoxazol-2-one","","C1COCCN1C(=S)CC2=CC3=C(C=C2)NC(=O)O3","GUOOKKTVAJJJNX-UHFFFAOYSA-N","391457",NA,"PDBC27534","690661","Present"
-"6-(2-Morpholinoacetyl)-3-(2-morpholinoethyl)-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","6-(2-Morpholinoacetyl)-3-(2-morpholinoethyl)-1,3-benzoxazol-2-one","","C1COCCN1CCN2C3=C(C=C(C=C3)C(=O)CN4CCOCC4)OC2=O","MMXXGWXDMPFTDX-UHFFFAOYSA-N","391453",NA,"PDBC27535","690657","Present"
-"6-(2-Naphthyl)-4,6-dioxo-N-(3-(trifluoromethyl)phenyl)hexanamide","","","","","","","","","","","","","","","","","","","","6-(2-Naphthyl)-4,6-dioxo-N-(3-(trifluoromethyl)phenyl)hexanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F","RCKSEMPBRZFDTG-UHFFFAOYSA-N","360436",NA,"PDBC27536","622572","Present"
-"6-(2-Naphthylmethyl)-7H-benzo[de]anthracen-7-one","","","","","","","","","","","","","","","","","","","","6-(2-Naphthylmethyl)benzo[a]phenalen-7-one","","C1=CC=C2C=C(C=CC2=C1)CC3=C4C5=C(C=CC=C5C6=CC=CC=C6C4=O)C=C3","GSMPDWKAFABVGJ-UHFFFAOYSA-N","365540",NA,"PDBC27537","633240","Present"
-"6-(2-Phenylhydrazino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(2-Phenylhydrazino)-2,4-pyrimidinediol","","C1=CC=C(C=C1)NNC2=CC(=O)NC(=O)N2","SKXCLZITDKRUMF-UHFFFAOYSA-N","385885",NA,"PDBC27538","677285","Present"
-"6-(2-Prop-2-enoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","6-(2-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol hydrochloride","","C=CCOC1=CC=CC=C1C2(C3=CC=CC=C3C4=NCCCN42)O.Cl","RZDQRFCKZZLYSR-UHFFFAOYSA-N","395633",NA,"PDBC27539","700416","Present"
-"6-(2-Propynyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione","","","","","","","","","","","","","","","","","","","","6-(2-Propynyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione","","C#CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","UMRYKNVDLHXTAA-UHFFFAOYSA-N","334955",NA,"PDBC27540","342609","Present"
-"6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone","","","","","","","","","","","","","","","","","","","","6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone","","CC(C)C(=O)C(C)(C)CCC1=CC=CC=N1","AFRSTASSLOUGOV-UHFFFAOYSA-N","238356",NA,"PDBC27541","42688","Present"
-"6-(3'-Aminopropyl)-11-[3'-aminopropylidene]5,3-d imethoxy-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinol ine Dihydrochloride","","","","","","","","","","","","","","","","","","","","6-(3'-Aminopropyl)-11-[3'-aminopropylidene]5,6-dihydro-2...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=CCCN)OCO5)N(C2=O)CCCN)OC.Cl","UOSPTSMIFNCBAH-OCSIRBNJSA-N","45027875",NA,"PDBC27542","730435","Present"
-"6-(3,3-Dimethyl-1-triazenyl)-2-ethyl-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Ethyl-3H-benzimidazol-5-yl)azo]-N-methyl-methanamine","","CCC1=NC2=C(N1)C=C(C=C2)N=NN(C)C","ALDYMOVIRQWCSN-UHFFFAOYSA-N","388589",NA,"PDBC27543","683599","Present"
-"6-(3,4,5-Trimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","(6R,6S)-2,4-Diamino-6-(3,4,5-trimethoxybenzyl)-5,6,7,8-t...","","COC1=CC(=CC(=C1OC)OC)CC2CCC3=C(C2)C(=NC(=N3)N)N","CEJLKULOOMMHNK-UHFFFAOYSA-N","484961",NA,"PDBC27544","696661","Present"
-"6-(3,4,5-Trimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","6-(3,4,5-Trimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","MUPGULYIRYEJSB-UHFFFAOYSA-N","374406",NA,"PDBC27545","652116","Present"
-"6-(3,4-Dichlorophenoxy)-1,3,5-triazine-2,4-dithiol","","","","","","","","","","","","","","","","","","","","1,3,5-Triazine-2,4-dithiol, 6-(3,4-dichlorophenoxy)-","","C1=CC(=C(C=C1OC2=NC(=S)NC(=S)N2)Cl)Cl","IUUDWMJJBJLTDS-UHFFFAOYSA-N","3004211",NA,"PDBC27546","636114","Present"
-"6-(3,4-Dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","(6R,6S)-2,4-Diamino-6-(3,4-dimethoxybenzyl)-5,6,7,8-tetr...","","COC1=C(C=C(C=C1)CC2CCC3=C(C2)C(=NC(=N3)N)N)OC","XVXBYTNVUPDKPO-UHFFFAOYSA-N","484960",NA,"PDBC27547","696660","Present"
-"6-(3,4-Dimethoxybenzyl)-8-(3,4,5-trimethoxyphenyl)-4,5-dihydro-6H-1-oxa-2,6,7-triaza-as-indacene","","","","","","","","","","","","","","","","","","","","6-(3,4-dimethoxylbenzyl)-8-(3,4,5-trimethoxyphenyl)l-5,6...","","COC1=C(C=C(C=C1)CN2C3=C(C4=C(CC3)C=NO4)C(=N2)C5=CC(=C(C(=C5)OC)OC)OC)OC","LGHKDCDXOYHZLA-UHFFFAOYSA-N","71769022",NA,"PDBC27548","760263","Present"
-"6-(3,4-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","6-(3,4-Dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","COC1=C(C=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4)OC","VNNVVLQSFWKLGZ-UHFFFAOYSA-N","374401",NA,"PDBC27549","652111","Present"
-"6-(3,4-Dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(3,4-Dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile","","CN1C=CC=C1C2=C(C(=O)NC(=C2)C3=CC(=C(C=C3)OC)OC)C#N","BFQYRDFDFHLBLX-UHFFFAOYSA-N","19656600",NA,"PDBC27550","735021","Present"
-"6-(3,4-Dimethoxyphenyl)-5-ethyl-4-hydroxypyran-2-one","","","","","","","","","","","","","","","","","","","","6-(3,4-Dimethoxyphenyl)-5-ethyl-4-hydroxypyran-2-one","","CCC1=C(OC(=O)C=C1O)C2=CC(=C(C=C2)OC)OC","GOWOXVXKXFGFTH-UHFFFAOYSA-N","54687680",NA,"PDBC27551","687163","Present"
-"6-(3,4-Dimethoxyphenyl)-7,8-dihydronaphtho(2,3-d)(1,3)dioxol-5(6H)-one O-acetyloxime","","","","","","","","","","","","","","","","","","","","6-(3,4-Dimethoxyphenyl)-7,8-dihydronaphtho(2,3-d)(1,3)dioxol-5(6H)-one O-acetyloxime","","CC(=O)ON=C1C(CCC2=CC3=C(C=C21)OCO3)C4=CC(=C(C=C4)OC)OC","ZLNILMHQBVKPMC-QURGRASLSA-N","6078604",NA,"PDBC27552","162497","Present"
-"6-(3,4-Dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one","","","","","","","","","","","","","","","","","","","","6-(3,4-Dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one","","COC1=CC=C(C=C1)C2=C(C(=O)N3CCCC3C2)C4=CC(=C(C=C4)OC)OC","NFGKYXUHHNKSTQ-UHFFFAOYSA-N","24202598",NA,"PDBC27553","707909","Present"
-"6-(3-(4-Morpholinyl)propyl)-8-oxa-6-azabicyclo[3.2.1]octane","","","","","","","","","","","","","","","","","","","","6-(3-(4-Morpholinyl)propyl)-8-oxa-6-azabicyclo[3.2.1]octane","","C1CC2CN(C(C1)O2)CCCN3CCOCC3","FSIMALIYJGZLBF-UHFFFAOYSA-N","265980",NA,"PDBC27554","102852","Present"
-"6-(3-(Diethylamino)propyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione","","","","","","","","","","","","","","","","","","","","6-(3-(Diethylamino)propyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione","","CCN(CC)CCCN1C(=O)C2=CC=CC=C2N3C1=NC4=C3C(=O)N(C(=O)N4C)C","GBRZXYYLOFUEIO-UHFFFAOYSA-N","384894",NA,"PDBC27555","675576","Present"
-"6-(3-(Diethylamino)propyl)-8,10-dimethylpyrido[3',2':5,6]pyrimido[2,1-f]purine-5,9,11(6H,8H,10H)-trione","","","","","","","","","","","","","","","","","","","","9-[3-(Diethylamino)propyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione","","CCN(CC)CCCN1C(=O)C2=C(N=CC=C2)N3C1=NC4=C3C(=O)N(C(=O)N4C)C","DOVFXTDHEPTNRJ-UHFFFAOYSA-N","384895",NA,"PDBC27556","675577","Present"
-"6-(3-(Dimethylamino)ethoxy)-2,3,9-trimethoxy-11H-indeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-(3-(dimethylamino)ethoxy)-2,3,9-trimethoxy-11H-indeno[...","","CCN(CC)CCOC1=NC2=CC(=C(C=C2C3=C1C4=C(C3=O)C=C(C=C4)OC)OC)OC","RMSUVPXXLDCLPO-UHFFFAOYSA-N","54673460",NA,"PDBC27557","754238","Present"
-"6-(3-(Mercaptomethyl)-4-methylanilino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(3-(Mercaptomethyl)-4-methylanilino)-2,4-pyrimidinediol","","CC1=C(C=C(C=C1)NC2=CC(=O)NC(=O)N2)CS","CLYHYZJTLDJJSP-UHFFFAOYSA-N","388639",NA,"PDBC27558","683651","Present"
-"6-(3-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-(3-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one","","CC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC","DOAOMJYDQIZIPK-UHFFFAOYSA-N","24205211",NA,"PDBC27559","734629","Present"
-"6-(3-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol","","","","","","","","","","","","","","","","","","","","6-(3-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol","","C=CCOC1=CC=CC(=C1)C2(C3=CC=CC=C3C4=NCCCN42)O.Cl","BPECPXIFGVYSCQ-UHFFFAOYSA-N","395631",NA,"PDBC27560","700415","Present"
-"6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)N","UOUWLYLXVPBLPW-UHFFFAOYSA-N","375857",NA,"PDBC27561","656155","Present"
-"6-(3-Aminopropropyl)-5,11-diox o-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","GRBOMQHBPDTXLA-UHFFFAOYSA-N","16098829",NA,"PDBC27562","733884","Present"
-"6-(3-Aminopropyl)-13-[3-[(2-methoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone","","","","","","","","","","","","","","","","","","","","2-(3-aminopropyl)-7-(3-((2-methoxybenzyl)amino)propyl)be...","","COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCN)C2=O","CFPBBKXHRQMBOK-UHFFFAOYSA-N","137656417",NA,"PDBC27563","772289","Present"
-"6-(3-Aminopropyl)-5,11-dioxo-1 1H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-7-methoxy-3-nitro-5,11-dio...","","COC1=CC=CC2=C1C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","GETQJKLTHBKBRW-UHFFFAOYSA-N","16098812",NA,"PDBC27564","736679","Present"
-"6-(3-Aminopropyl)-5,11-dioxo-11H-inden o[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-9-methoxy-5,11-dioxo-11H-i...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN.Cl","QTQXPPPSCGWDHW-UHFFFAOYSA-N","17755854",NA,"PDBC27565","736988","Present"
-"6-(3-Aminopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro-...","","COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","NQWBFTIDOATMLE-UHFFFAOYSA-N","17756089",NA,"PDBC27566","741106","Present"
-"6-(3-Aminopropyl)-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline Hydrochloride salt","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-ind...","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","PIDKEDFMLRLYDS-UHFFFAOYSA-N","17756085",NA,"PDBC27567","731155","Present"
-"6-(3-Aminopropyl)-5,11-dioxo-9-phenyl-1 1H[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihbydro-3-nitro-5,11-dioxo-9-phen...","","C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN.Cl","HODQATQLONCASF-UHFFFAOYSA-N","17755120",NA,"PDBC27568","737671","Present"
-"6-(3-Aminopropyl)-5,11-dioxo-9-thiomethy l-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-thiom...","","CSC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","OJMHNCMPKJEMAQ-UHFFFAOYSA-N","17756083",NA,"PDBC27569","736680","Present"
-"6-(3-Aminopropyl)-5,3,9-trimethoxy-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-diox...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN)OC)OC.Cl","QTQUYDAACMUGIW-UHFFFAOYSA-N","17755517",NA,"PDBC27570","737344","Present"
-"6-(3-Aminopropyl)-5,3-dimethoxy-5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-2,3-dimethoxy-5,11-dioxo-1...","","COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN)OC.Cl","IQFQLZVJPMXAQB-UHFFFAOYSA-N","17755622",NA,"PDBC27571","733501","Present"
-"6-(3-Aminopropyl)-5,3-dimethoxy-9-dimethylamino-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrocloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-2,3-dimethoxy-9-dimethylam...","","CN(C)C1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN)OC)OC.Cl","ZXHLDDURBYMMMW-UHFFFAOYSA-N","17755515",NA,"PDBC27572","740506","Present"
-"6-(3-Aminopropyl)-5,3-dimethoxy-9-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-2,3-dimethoxy-9-nitro-5,11...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N(C2=O)CCCN)OC.Cl","BTEDTMKQLBHEHP-UHFFFAOYSA-N","17755630",NA,"PDBC27573","740649","Present"
-"6-(3-Aminopropyl)-5,3-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride salt","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-2,3-methylenedioxy-5,11-di...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C5=CC=CC=C5C4=O)N(C3=O)CCCN.Cl","LVRUUJAOYCVRGR-UHFFFAOYSA-N","45027885",NA,"PDBC27574","732939","Present"
-"6-(3-Aminopropyl)-5,8,9-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5...","","COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN)OC)OC.Cl","NQKWCQPQILVCOF-UHFFFAOYSA-N","16098808",NA,"PDBC27575","734287","Present"
-"6-(3-Aminopropyl)-5,8-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-7,8-dimethoxy-3-nitro-5,11...","","COC1=C(C2=C(C=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN)OC.Cl","DALCHCQXVLJXEG-UHFFFAOYSA-N","16098810",NA,"PDBC27576","734563","Present"
-"6-(3-Aminopropyl)-5,9,10-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-8,9,10-trimethoxy-3-nitro-...","","COC1=C(C(=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN)OC)OC.Cl","BKNKHVRDZPSVMV-UHFFFAOYSA-N","16098832",NA,"PDBC27577","733652","Present"
-"6-(3-Aminopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11...","","COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN)OC.Cl","PFHAHEOYVLNKRF-UHFFFAOYSA-N","16098827",NA,"PDBC27578","734141","Present"
-"6-(3-Aminopropyl)-9-bromo-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-9-bromo-5,6-dihydro-3-nitro-5,11-dioxo...","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Br)CCCN.Cl","NXGGPXFLOUDJQA-UHFFFAOYSA-N","17755124",NA,"PDBC27579","734562","Present"
-"6-(3-Aminopropyl)-9-chloro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-9-chloro-5,6-dihydro-3-nitro-5,11-diox...","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Cl)CCCN.Cl","XTKGQTSHYLAVAZ-UHFFFAOYSA-N","17756087",NA,"PDBC27580","736494","Present"
-"6-(3-Aminopropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-dioxo...","","C1=CC2=C(C=C1C#N)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN.Cl","ORWUSSJLUPFYCH-UHFFFAOYSA-N","17755128",NA,"PDBC27581","741107","Present"
-"6-(3-Aminopropyl)-9-ethyl-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-9-ethyl-5,6-dihydro-3-nitro-5,11-dioxo...","","CCC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","ARFOLRUAJUZGDR-UHFFFAOYSA-N","17756081",NA,"PDBC27582","740032","Present"
-"6-(3-Aminopropyl)-9-ethyl-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-9-ethyl-5,6-dihydro-2,3-dimethoxy-5,11...","","CCC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN)OC)OC.Cl","QTQJTAKJJYEFIL-UHFFFAOYSA-N","17755519",NA,"PDBC27583","740272","Present"
-"6-(3-Aminopropyl)-9-fluoro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-9-fluoro-5,6-dihydro-3-nitro-5,11-diox...","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)F)CCCN.Cl","QNAFRBBDLMXZEZ-UHFFFAOYSA-N","17755122",NA,"PDBC27584","736394","Present"
-"6-(3-Aminopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Aminopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)F)N(C2=O)CCCN)OC.Cl","RHCXFNZISKKIPX-UHFFFAOYSA-N","17755624",NA,"PDBC27585","740564","Present"
-"6-(3-Amonopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Amonopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox...","","CC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","KQYKHXWUEJKHDY-UHFFFAOYSA-N","17755118",NA,"PDBC27586","736116","Present"
-"6-(3-Azido-4-methyl-anilino)-1,3,5-triazine-2,4-diol","","","","","","","","","","","","","","","","","","","","6-(3-Azido-4-methyl-anilino)-1,3,5-triazine-2,4-diol","","CC1=C(C=C(C=C1)NC2=NC(=O)NC(=O)N2)N=[N+]=[N-]","XMHLSHRNGOEAQU-UHFFFAOYSA-N","3005203",NA,"PDBC27587","681705","Present"
-"6-(3-Azido-propyl)-2,11-dioxo-5,11-dihydro-6 H-indeno[1,2-c]isoquinoline-9-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(3-Azido-propyl)-2,3-dimethoxthy-5,11-dioxo-5,11-dihyd...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C#N)N(C2=O)CCCN=[N+]=[N-])OC","CHNNBYMXFXINAT-UHFFFAOYSA-N","17755511",NA,"PDBC27588","734749","Present"
-"6-(3-Azido-propyl)-2,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinoline-9-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","6-(3-Azido-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydro...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C(=O)OC)N(C2=O)CCCN=[N+]=[N-])OC","JKTYFKHQOKTNRA-UHFFFAOYSA-N","17755410",NA,"PDBC27589","734905","Present"
-"6-(3-Azidopropyl)-3-(dimethylamino)-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-9-methoxy-3-dimethylamino-...","","CN(C)C1=CC2=C(C=C1)C3=C(C4=C(C3=O)C=C(C=C4)OC)N(C2=O)CCCN=[N+]=[N-]","QPJCSRLYQFUZED-UHFFFAOYSA-N","45028368",NA,"PDBC27590","742344","Present"
-"6-(3-Azidopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox...","","CC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","RIWGJOJRKFJJKH-UHFFFAOYSA-N","17756605",NA,"PDBC27591","736115","Present"
-"6-(3-Azidopropyl)-5,11-dioxo-11H-inden o[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-9-methoxy-5,11-dioxo-11H-i...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN=[N+]=[N-]","QKLHJXNWYGPWJU-UHFFFAOYSA-N","17755637",NA,"PDBC27592","736873","Present"
-"6-(3-Azidopropyl)-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-ind...","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","LXCKTBKQPKICDR-UHFFFAOYSA-N","17755021",NA,"PDBC27593","731153","Present"
-"6-(3-Azidopropyl)-5,11-dioxo-9-phenyl-11 H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-pheny...","","C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN=[N+]=[N-]","MQDHUCKFWIVZQT-UHFFFAOYSA-N","17755971",NA,"PDBC27594","737668","Present"
-"6-(3-Azidopropyl)-5,3,9-trimethoxy-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-diox...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN=[N+]=[N-])OC)OC","VTFXWANSFWRZBM-UHFFFAOYSA-N","17755406",NA,"PDBC27595","737342","Present"
-"6-(3-Azidopropyl)-5,3-dimethoxy-5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-2,3-dimethoxy-5,11-dioxo-1...","","COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN=[N+]=[N-])OC","JBTBHCRLGRFDCK-UHFFFAOYSA-N","17755408",NA,"PDBC27596","732937","Present"
-"6-(3-Azidopropyl)-5,3-dimethoxy-9-dimethylamino-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-2,3-dimethoxy-9-dimethylam...","","CN(C)C1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN=[N+]=[N-])OC)OC","QAFPLMHPQNROJJ-UHFFFAOYSA-N","17755405",NA,"PDBC27597","740278","Present"
-"6-(3-Azidopropyl)-5,3-dimethoxy-9-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-2,3-dimethoxy-9-nitro-5,11...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N(C2=O)CCCN=[N+]=[N-])OC","RLIDCXQQPTVQRM-UHFFFAOYSA-N","17755512",NA,"PDBC27598","740563","Present"
-"6-(3-Azidopropyl)-5,3-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-2,3-methylenedioxy-5,11-di...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C5=CC=CC=C5C4=O)N(C3=O)CCCN=[N+]=[N-]","FXXHNMNGYZIBJK-UHFFFAOYSA-N","45027884",NA,"PDBC27599","732938","Present"
-"6-(3-Azidopropyl)-5,8,9-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5...","","COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN=[N+]=[N-])OC)OC","JWARDERTCDRHAM-UHFFFAOYSA-N","16098824",NA,"PDBC27600","734295","Present"
-"6-(3-Azidopropyl)-5,8-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-7,8-dimethoxy-3-nitro-5,11...","","COC1=C(C2=C(C=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN=[N+]=[N-])OC","LIKRUARCALWBDA-UHFFFAOYSA-N","16098825",NA,"PDBC27601","734288","Present"
-"6-(3-Azidopropyl)-5,9,10-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-8,9,10-trimethoxy-3-nitro-...","","COC1=C(C(=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-])OC)OC","NVMQERCTMIMUDL-UHFFFAOYSA-N","16098815",NA,"PDBC27602","733651","Present"
-"6-(3-Azidopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11...","","COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-])OC","NDLSGLJKKMUKJQ-UHFFFAOYSA-N","16098806",NA,"PDBC27603","733653","Present"
-"6-(3-Azidopropyl)-5,9-methylenedioxy-3-nitro-5,1 1-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-8,9-methylenedioxy-3-nitro...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN=[N+]=[N-]","VFQHMKRQVRHHLQ-UHFFFAOYSA-N","10070686",NA,"PDBC27604","728979","Present"
-"6-(3-Azidopropyl)-5,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-8,9-methylenedioxy-5,11-di...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC=CC=C5C(=O)N4CCCN=[N+]=[N-]","BZTVVGVIZNCMCL-UHFFFAOYSA-N","11280256",NA,"PDBC27605","731543","Present"
-"6-(3-Azidopropyl)-9-bromo-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-9-bromo-5,6-dihydro-3-nitro-5,11-dioxo...","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Br)CCCN=[N+]=[N-]","QKWFJZQRLCJDSG-UHFFFAOYSA-N","17755973",NA,"PDBC27606","734289","Present"
-"6-(3-Azidopropyl)-9-bromoindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","6-(3-azidopropyl)-9-bromo-5,6-dihydro-5,11-dioxo-11H-ind...","","C1=CC=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)Br)N(C2=O)CCCN=[N+]=[N-]","SZWHSQHBOONWGO-UHFFFAOYSA-N","45027899",NA,"PDBC27607","735859","Present"
-"6-(3-Azidopropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-dioxo...","","C1=CC2=C(C=C1C#N)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN=[N+]=[N-]","KAMMDTWJOXJLIA-UHFFFAOYSA-N","17755024",NA,"PDBC27608","740974","Present"
-"6-(3-Azidopropyl)-9-ethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-9-ethoxy-5,6-dihydro-3-nitro-5,11-diox...","","CCOC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","UZELVQXOBSGOKP-UHFFFAOYSA-N","17756604",NA,"PDBC27609","740643","Present"
-"6-(3-Azidopropyl)-9-ethyl-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-9-ethyl-5,6-dihydro-3-nitro-5,11-dioxo...","","CCC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","HSMPGXICDZODOM-UHFFFAOYSA-N","17755970",NA,"PDBC27610","737778","Present"
-"6-(3-Azidopropyl)-9-ethyl-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-9-ethyl-5,6-dihydro-2,3-dimethoxy-5,11...","","CCC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN=[N+]=[N-])OC)OC","LLUTXFJOTYJIAC-UHFFFAOYSA-N","17755407",NA,"PDBC27611","740273","Present"
-"6-(3-Azidopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)F)N(C2=O)CCCN=[N+]=[N-])OC","CXYWBXHQOFSIJB-UHFFFAOYSA-N","17755409",NA,"PDBC27612","740524","Present"
-"6-(3-Azidopropyl)-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-dio...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","FQDYRTACDWAHEM-UHFFFAOYSA-N","16098807",NA,"PDBC27613","733882","Present"
-"6-(3-Bromo-5-chloro-2-hydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","6-(3-Bromo-5-chloro-2-hydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrimidin-2-one","","COC1=CC=C(C=C1)C2=NC(=O)NC(=C2)C3=C(C(=CC(=C3)Cl)Br)O","WEKWQZXRBAJLRC-UHFFFAOYSA-N","359844",NA,"PDBC27614","621454","Present"
-"6-(3-Bromophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","6-(3-Bromophenyl)[1,3]dioxolo[4,5-g]quinolin-8-ol","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)Br","JLDZWGMJMCTYHJ-UHFFFAOYSA-N","375863",NA,"PDBC27615","656161","Present"
-"6-(3-Bromopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox...","","CC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","LMJUNGCSONHLOB-UHFFFAOYSA-N","17756502",NA,"PDBC27616","736005","Present"
-"6-(3-Bromopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-5,6-dihydro-9-ethyl-3-nitro-5,11-dioxo...","","CCC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","SXIWFXURQHLSTC-UHFFFAOYSA-N","17756501",NA,"PDBC27617","737777","Present"
-"6-(3-Bromopropyl)-5,11-dioxo-9-phenyl-11 H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-pheny...","","C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCBr","SXYOQBXXQGKSRJ-UHFFFAOYSA-N","17756503",NA,"PDBC27618","737669","Present"
-"6-(3-Bromopropyl)-5,11-dioxo-9-sulfonylm ethyl-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-sulfo...","","CS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","NDMSKMPNYLLAMP-UHFFFAOYSA-N","17755969",NA,"PDBC27619","736681","Present"
-"6-(3-Bromopropyl)-5,11-dioxo-9-thiomethyl-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-5,6-dihydro3-nitro-5,11-dioxo-9-thiome...","","CSC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","AJJKUSXYIMDOBG-UHFFFAOYSA-N","17755847",NA,"PDBC27620","736200","Present"
-"6-(3-Bromopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-ind...","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","FITHFPHFIGGTGK-UHFFFAOYSA-N","17755853",NA,"PDBC27621","730451","Present"
-"6-(3-Bromopropyl)-5,8,9-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5...","","COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCBr)OC)OC","ADZLHPTZIXUYPG-UHFFFAOYSA-N","16098822",NA,"PDBC27622","733881","Present"
-"6-(3-Bromopropyl)-5,8-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-5,6-dihydro-7,8-dimethoxy-3-nitro-5,11...","","COC1=C(C2=C(C=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCBr)OC","ZPVICIUELJKGAD-UHFFFAOYSA-N","16098823",NA,"PDBC27623","733880","Present"
-"6-(3-Bromopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11...","","COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC","KEJJCINVWHYGSV-UHFFFAOYSA-N","16098803",NA,"PDBC27624","734296","Present"
-"6-(3-Bromopropyl)-9-ethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-9-ethoxy-5,6-dihydro-3-nitro-5,11-diox...","","CCOC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","ABVKNJFRUQGYPY-UHFFFAOYSA-N","17755846",NA,"PDBC27625","740644","Present"
-"6-(3-Bromopropyl)-9-fluoro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-9-fluoro-5,6-dihydro-3-nitro-5,11-diox...","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)F)CCCBr","ZWWTYVZYDXXIBG-UHFFFAOYSA-N","17756504",NA,"PDBC27626","734799","Present"
-"6-(3-Bromopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Bromopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)F)N(C2=O)CCCBr)OC","YUACRRHCSGGWGA-UHFFFAOYSA-N","17756300",NA,"PDBC27627","740520","Present"
-"6-(3-Carboxypropanoyl)-1-indanecarboxylic acid","","","","","","","","","","","","","","","","","","","","6-(3-Carboxypropanoyl)-2,3-dihydro-1H-indene-1-carboxylic acid","","C1CC2=C(C1C(=O)O)C=C(C=C2)C(=O)CCC(=O)O","GRRJOCKDRZPXAI-UHFFFAOYSA-N","380769",NA,"PDBC27628","666479","Present"
-"6-(3-Carboxypropyl)-1-indanecarboxylic acid","","","","","","","","","","","","","","","","","","","","6-(3-Carboxypropyl)-1-indanecarboxylic acid","","C1CC2=C(C1C(=O)O)C=C(C=C2)CCCC(=O)O","JFQDKTOYLXCYTR-UHFFFAOYSA-N","380770",NA,"PDBC27629","666480","Present"
-"6-(3-Chloro-4-methylanilino)-5-methyl-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(3-Chloro-4-methylanilino)-5-methyl-2,4-pyrimidinediol","","CC1=C(C=C(C=C1)NC2=C(C(=O)NC(=O)N2)C)Cl","ZCNDTRWHQKQXGI-UHFFFAOYSA-N","388635",NA,"PDBC27630","683647","Present"
-"6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)Cl","QYBIINRTOPKRQH-UHFFFAOYSA-N","375862",NA,"PDBC27631","656160","Present"
-"6-(3-Chloro-propyl)-2,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinoline-9-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","6-(3-Chloro-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydr...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C(=O)OC)N(C2=O)CCCCl)OC","BFAVXUQHJBIJQU-UHFFFAOYSA-N","17755316",NA,"PDBC27632","734797","Present"
-"6-(3-Chlorobenzylidene)-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one","","","","","","","","","","","","","","","","","","","","6-(3-Chlorobenzylidene)-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one","","C1CC2=CC=CC=C2C(=O)C(=CC3=CC(=CC=C3)Cl)C1","CCYUZLMAXZQHRT-RVDMUPIBSA-N","5469393",NA,"PDBC27633","687672","Present"
-"6-(3-Chlorophenyl)-4-(4-chlorophenyl)-6H-1,3-thiazin-2-amine","","","","","","","","","","","","","","","","","","","","6-(3-Chlorophenyl)-4-(4-chlorophenyl)-6H-1,3-thiazin-2-amine","","C1=CC(=CC(=C1)Cl)C2C=C(N=C(S2)N)C3=CC=C(C=C3)Cl","YESVGXMPKWCTKG-UHFFFAOYSA-N","403644",NA,"PDBC27634","718712","Present"
-"6-(3-Chloropropyl)-2,4-dimethyl-8H-purino[7,8-a]imidazole-1,3,7-trione","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-2,4-dimethyl-8H-purino[7,8-a]imidazole-1,3,7-trione","","CN1C2=C(C(=O)N(C1=O)C)N3CC(=O)N(C3=N2)CCCCl","BUPGZCJAQUYSRC-UHFFFAOYSA-N","392201",NA,"PDBC27635","692334","Present"
-"6-(3-Chloropropyl)-3-(dimethylamino)-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-5,6-dihydro-9-methoxy-3-dimethylamino...","","CN(C)C1=CC2=C(C=C1)C3=C(C4=C(C3=O)C=C(C=C4)OC)N(C2=O)CCCCl","UAFNDTUOEFYGLX-UHFFFAOYSA-N","45028367",NA,"PDBC27636","742343","Present"
-"6-(3-Chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]i soquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCl","VJHGGUIIVNKENS-UHFFFAOYSA-N","45027882",NA,"PDBC27637","732661","Present"
-"6-(3-Chloropropyl)-5,11-dioxo-3-nitro-11H-indeno [1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-in...","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl","QTEJRWOMCQIKFH-UHFFFAOYSA-N","17755848",NA,"PDBC27638","731154","Present"
-"6-(3-Chloropropyl)-5,3,9-trimethoxy-5,11-dioxo-1 1H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-dio...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCCl)OC)OC","ADWFGEGXOSXQPU-UHFFFAOYSA-N","17756199",NA,"PDBC27639","737318","Present"
-"6-(3-Chloropropyl)-5,3-dimethyoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-5,6-dihydro-2,3-dimethyoxy-5,11-dioxo...","","COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCl)OC","RBNJUOSLYWNDIY-UHFFFAOYSA-N","17755315",NA,"PDBC27640","732659","Present"
-"6-(3-Chloropropyl)-5,3-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-5,6-dihydro-2,3-methylenedioxy-5,11-d...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C5=CC=CC=C5C4=O)N(C3=O)CCCCl","JCHKWJCRWGSLDC-UHFFFAOYSA-N","45027883",NA,"PDBC27641","732662","Present"
-"6-(3-Chloropropyl)-5,9-methylenedioxy-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-5,6-dihydro-8,9-methylenedioxy-5,11-d...","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCCl","SDOYHGOHOXTXFO-UHFFFAOYSA-N","44346870",NA,"PDBC27642","729812","Present"
-"6-(3-Chloropropyl)-6,3-dimethoxy-5,11-dioxo-5H-indeno[1,2-c]isoquinoline-9-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(3-chloropropyl)-6,11-dihydro-2,3-dimethoxy-5,11-dioxo...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C#N)N(C2=O)CCCCl)OC","RQABYVCEIGEDGO-UHFFFAOYSA-N","17755317",NA,"PDBC27643","734561","Present"
-"6-(3-Chloropropyl)-7-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-5,6-dihydro-7-methoxy-3-nitro-5,11-di...","","COC1=CC=CC2=C1C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl","GUDBMPKWSVEYSF-UHFFFAOYSA-N","16098805",NA,"PDBC27644","733883","Present"
-"6-(3-Chloropropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-diox...","","C1=CC2=C(C=C1C#N)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCCl","VJIWBTFNKPNLEQ-UHFFFAOYSA-N","17756602",NA,"PDBC27645","740975","Present"
-"6-(3-Chloropropyl)-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-di...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl","BPHWXBCGOWKFEJ-UHFFFAOYSA-N","16098804",NA,"PDBC27646","733654","Present"
-"6-(3-Cyclohexylbenzimidazol-5-yl)-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","6-(1-cyclohexyl-1H-benzo[d]imidazol-6-yl)-2-(2-(dimethyl...","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)C4=CC5=C(C=C4)N=CN5C6CCCCC6)C=CC=C3C1=O","BLUDKMJBPFGWJS-UHFFFAOYSA-N","155806241",NA,"PDBC27647","799082","Present"
-"6-(3-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-[3-(Dimethylamino)phenyl][1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","PMTYBDLJRSCTJI-UHFFFAOYSA-N","373173",NA,"PDBC27648","649122","Present"
-"6-(3-Ethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8-one, 6-(3-ethoxyphenyl)- 5,...","","CCOC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","ONUOKWPZQYINMT-UHFFFAOYSA-N","377395",NA,"PDBC27649","658838","Present"
-"6-(3-Fluoro-4-methoxyphenyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","6-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-...","","COC1=C(C=C(C=C1)C2=C(C=CC(=O)O2)C3=CC(=C(C(=C3)OC)OC)OC)F","RMENRUHVSNMAHN-UHFFFAOYSA-N","45028050",NA,"PDBC27650","740846","Present"
-"6-(3-Fluorobenzylidene)-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one","","","","","","","","","","","","","","","","","","","","6-(3-Fluorobenzylidene)-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one","","C1CC2=CC=CC=C2C(=O)C(=CC3=CC(=CC=C3)F)C1","RAZAJNVRLMAZGG-RVDMUPIBSA-N","5469394",NA,"PDBC27651","687673","Present"
-"6-(3-Fluorophenyl)-4-(methylthio)-8-oxo-8,9-dihydro-7H-2-thia-3,5,6,9-tetraaza-6H-benzo[cd]azulene-1-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 9-(3-fluorophenyl)-6-methylsulfanyl-11-oxo-3-thia-5,7,9,12-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate","","CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CC(=O)N2)C4=CC(=CC=C4)F","PHRSPOOORSDVLY-UHFFFAOYSA-N","399943",NA,"PDBC27652","711095","Present"
-"6-(3-Homopiperazinyl1-1-propyl)-5,3-dimethoxy-8, 9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Homopiperazinyl1-1-propyl)-5,6-dihydro-2,3-dimethox...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCCNCC6)OC.Cl","LVVYOQAWYMWSTM-UHFFFAOYSA-N","45027855",NA,"PDBC27653","728319","Present"
-"6-(3-Hydroxy-4-methoxyphenyl)-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(3-Hydroxy-4-methoxyphenyl)-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C#N)N4CCOCC4)O","HFMTUGGWNRIMFE-UHFFFAOYSA-N","45029303",NA,"PDBC27654","746063","Present"
-"6-(3-Hydroxy-4-methoxyphenyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","6-(3-hydroxy-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)...","","COC1=C(C=C(C=C1)C2=C(C=CC(=O)O2)C3=CC(=C(C(=C3)OC)OC)OC)O","XUSZWPNKUBJZAP-UHFFFAOYSA-N","45028150",NA,"PDBC27655","741291","Present"
-"6-(3-Hydroxy-4-methoxyphenyl)-5-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","6-(3-hydroxy-4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl...","","COC1=C(C=C(C=C1)C2=C(C=CC(=O)O2)C#CC3=CC(=C(C(=C3)OC)OC)OC)O","KZYFWCYVKMFMDW-UHFFFAOYSA-N","45028151",NA,"PDBC27656","741292","Present"
-"6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)O","RBWSFAFFIMVTFK-UHFFFAOYSA-N","375859",NA,"PDBC27657","656157","Present"
-"6-(3-Hydroxyanilino)-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pyrimidinedione, 6-[(3-hydroxyphenyl)amino]-","","C1=CC(=CC(=C1)O)NC2=CC(=O)NC(=O)N2","IVZGYVHNFVIPPY-UHFFFAOYSA-N","388645",NA,"PDBC27658","683657","Present"
-"6-(3-Imidazol-1-ylpropyl)-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-imidazolyl-1-propyl)-3-nitro-5,11-dioxo...","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5C=CN=C5.Cl","QWKGOTGASGDZNY-UHFFFAOYSA-N","15949377",NA,"PDBC27659","734783","Present"
-"6-(3-Imidazol-1-ylpropyl)-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-imidazolyl-1-propyl)-9-methoxy-3-nitro-...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5C=CN=C5","MDJMFHZWTHWWJV-UHFFFAOYSA-N","17755745",NA,"PDBC27660","740507","Present"
-"6-(3-Imidazol-1-ylpropyl)-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-imidazolyl-1-propyl)-9-methoxy-5,11-dio...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN5C=CN=C5","OKCJDJQBTRWAIM-UHFFFAOYSA-N","17755851",NA,"PDBC27661","740648","Present"
-"6-(3-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-(3-Methoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","COC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","WLLYUAYHKVYLTP-UHFFFAOYSA-N","373169",NA,"PDBC27662","649118","Present"
-"6-(3-Methoxyphenyl)-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(3-Methoxyphenyl)-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid","","COC1=CC=CC(=C1)C2=C(C(=O)C3=CC4=C(C=C3N2)OCO4)C(=O)O","GFGLYGFOPPSPSV-UHFFFAOYSA-N","395569",NA,"PDBC27663","700275","Present"
-"6-(3-Methyl-4H-1,4-benzothiazin-2-yl)-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","6-(3-Methyl-4H-1,4-benzothiazin-2-yl)-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide","","CC1=C(SC2=CC=CC=C2N1)C3=CC(=NC=N3)C(=O)NC4=CC=CC(=C4)C(F)(F)F","PAYAGWFHUYAASY-UHFFFAOYSA-N","361458",NA,"PDBC27664","624480","Present"
-"6-(3-Methylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-[(3-methylamino)...","","CNC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","VOXJCRDGCUAZJE-UHFFFAOYSA-N","375858",NA,"PDBC27665","656156","Present"
-"6-(3-Morpholin-4-ylpropyl)-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-morpholinyl-1-propyl)-3-nitro-5,11-diox...","","C1COCCN1CCCN2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C53.Cl","XPGCQLBJOWMPAO-UHFFFAOYSA-N","17755735",NA,"PDBC27666","740609","Present"
-"6-(3-Morpholin-4-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-(3-morpholinyl-1-propyl)-5,11-dioxo-11H-in...","","C1COCCN1CCCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53.Cl","HOXXQYIEHRYRQT-UHFFFAOYSA-N","45027959",NA,"PDBC27667","740275","Present"
-"6-(3-Piperazinyl-1-propyl)-5,3-dimethoxy-8,9-met hylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Piperazinyl-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCNCC6)OC.Cl","XITNZLXDNSTFLW-UHFFFAOYSA-N","16049841",NA,"PDBC27668","728316","Present"
-"6-(3-Trifluoromethyl-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8-one, 6-[3-(trifluoromethyl)...","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)C(F)(F)F","CVUVXQOSMQTCRB-UHFFFAOYSA-N","376372",NA,"PDBC27669","657274","Present"
-"6-(4'-Hydroxy phenyl)4(4'-methoxy phenyl)-1H-pyrazolo [3, 4-b] pyridine-3-amine.","","","","","","","","","","","","","","","","","","","","6-(4'-hydroxy phenyl)4(4'-methoxy phenyl) - 1H -pyrazolo...","","COC1=CC=C(C=C1)C2=CC(=NC3=NNC(=C23)N)C4=CC=C(C=C4)O","VCKIJKFTGWVRTO-UHFFFAOYSA-N","135580406",NA,"PDBC27670","734136","Present"
-"6-(4'-Hydroxy-2'-methylphenyl)-2-benzenesulfonamide-4,5-dihydropyridazine-3(2H)-one","","","","","","","","","","","","","","","","","","","","6-(4'-Hydroxy-2'-methylphenyl)-2-benzenesulfonamide-4,5-...","","CC1=C(C=CC(=C1)O)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)N","XHOPWRARKOAGEK-UHFFFAOYSA-N","135894397",NA,"PDBC27671","747556","Present"
-"6-(4,5-Dihydro-1H-imidazol-2-yl)-2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole;hydrochloride","","","","","","","","","","","","","","","","","","","","2-(6-(2-imidazolino)-2-benzthiazolyl)-5-(4-(2-imidazolin...","","C1CN=C(N1)C2=CC=C(C=C2)C3=CC=C(S3)C4=NC5=C(S4)C=C(C=C5)C6=NCCN6.Cl","RTGNNVGNNHFRNE-UHFFFAOYSA-N","404345",NA,"PDBC27672","720538","Present"
-"6-(4,6-Dimethoxy-1-benzofuran-5-yl)-2-hydroxy-5-((4-methoxyphenyl)diazenyl)-4-methylnicotinonitrile","","","","","","","","","","","","","","","","","","","","6-(4,6-Dimethoxy-1-benzofuran-5-yl)-2-hydroxy-5-((4-methoxyphenyl)diazenyl)-4-methylnicotinonitrile","","CC1=C(C(=O)NC(=C1N=NC2=CC=C(C=C2)OC)C3=C(C=C4C(=C3OC)C=CO4)OC)C#N","WTYFXSZSYDBQKZ-UHFFFAOYSA-N","384091",NA,"PDBC27673","673313","Present"
-"6-(4-(3-Chlorophenyl)-1-piperazinyl)-3-methyl-4-(4-methylbenzyl)pyridazine","","","","","","","","","","","","","","","","","","","","6-[4-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-4-(p-tolylmethyl)pyridazine","","CC1=CC=C(C=C1)CC2=CC(=NN=C2C)N3CCN(CC3)C4=CC(=CC=C4)Cl","HCVBGBCNPHEIRF-UHFFFAOYSA-N","395128",NA,"PDBC27674","699419","Present"
-"6-(4-(Hydroxy(oxido)amino)phenyl)-2-mercapto-N-(2-methylphenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","6-(4-(Hydroxy(oxido)amino)phenyl)-2-mercapto-N-(2-methylphenyl)-4-pyrimidinecarboxamide","","CC1=CC=CC=C1NC(=O)C2=CC(=NC(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-]","RGOSZDHKAGNOCA-UHFFFAOYSA-N","3004144",NA,"PDBC27675","631824","Present"
-"6-(4-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-(4-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one","","CC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC","HBUCBICCPODGNL-UHFFFAOYSA-N","24205210",NA,"PDBC27676","734628","Present"
-"6-(4-Allyloxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol","","","","","","","","","","","","","","","","","","","","6-(4-Allyloxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol","","C=CCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=NCCCN42)O","ITUOKHXUFQVQDH-UHFFFAOYSA-N","395640",NA,"PDBC27677","700422","Present"
-"6-(4-Amino-1-butyl)-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride","","","","","","","","","","","","","","","","","","","","6-(4-Amino-1-butyl)-5,6-dihydro-2,3-dimethoxy-8,9-methyl...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCN)OC.Cl","ZHKMLSGJEXEARE-UHFFFAOYSA-N","45027839",NA,"PDBC27678","727356","Present"
-"6-(4-Amino-3-chloroanilino)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-(4-Amino-3-chloroanilino)-2,4-pyrimidinediol","","C1=CC(=C(C=C1NC2=CC(=O)NC(=O)N2)Cl)N","CDEBPFZACVTPSO-UHFFFAOYSA-N","389519",NA,"PDBC27679","685810","Present"
-"6-(4-Aminoanilino)-3-methyl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-(4-Aminoanilino)-3-methyl-1H-pyrimidine-2,4-dione","","CN1C(=O)C=C(NC1=O)NC2=CC=C(C=C2)N","WSNGRPDBUKYUJA-UHFFFAOYSA-N","388642",NA,"PDBC27680","683654","Present"
-"6-(4-Aminobutylamino)-2,3-dihydrophthalazine-1,4-dione","","","","","","","","","","","","","","","","","","","","Cambridge id 5784982","","C1=CC2=C(C=C1NCCCCN)C(=O)NNC2=O","QFXJAYZOSATTDS-UHFFFAOYSA-N","360087",NA,"PDBC27681","621890","Present"
-"6-(4-Aminophenyl)-2-hydroxy-4-phenylnicotinonitrile","","","","","","","","","","","","","","","","","","","","6-(4-Aminophenyl)-2-hydroxy-4-phenylnicotinonitrile","","C1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)N)C#N","NRBGWKCGLDSKDE-UHFFFAOYSA-N","368864",NA,"PDBC27682","640203","Present"
-"6-(4-Aminophenyl)-2-mercapto-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","6-(4-Aminophenyl)-2-mercapto-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide","","C1=CC(=CC=C1C2=NC(=S)NC(=C2)C(=O)NC3=NC=CS3)N","MVPCPPLTJIEEQI-UHFFFAOYSA-N","3004050",NA,"PDBC27683","624462","Present"
-"6-(4-Aminophenyl)-4-(2-furyl)-2-hydroxynicotinonitrile","","","","","","","","","","","","","","","","","","","","6-(4-Aminophenyl)-4-(2-furyl)-2-hydroxynicotinonitrile","","C1=COC(=C1)C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)N)C#N","MCWZXFPSWAFDQC-UHFFFAOYSA-N","368868",NA,"PDBC27684","640207","Present"
-"6-(4-Aminophenylsulfonylamino)nicotinamide","","","","","","","","","","","","","","","","","","","","6-(4-Aminophenylsulfonylamino)nicotinamide","","C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=C(C=C2)C(=O)N","GDFGMTTYFWXAGL-UHFFFAOYSA-N","234715",NA,"PDBC27685","35053","Present"
-"6-(4-Aminoquinazolin-6-yl)sulfanylquinazolin-4-amine","","","","","","","","","","","","","","","","","","","","6-(4-Aminoquinazolin-6-yl)sulfanylquinazolin-4-amine","","C1=CC2=C(C=C1SC3=CC4=C(C=C3)N=CN=C4N)C(=NC=N2)N","WQCYOEICXSNBLG-UHFFFAOYSA-N","393412",NA,"PDBC27686","695266","Present"
-"6-(4-Azido-2-nitroanilino)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide","","","","","","","","","","","","","","","","","","","","6-(4-Azido-2-nitroanilino)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide","","COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCCCCNC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-]","QKEPLNZFLNFEEH-UHFFFAOYSA-N","3003993",NA,"PDBC27687","618048","Present"
-"6-(4-Benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzothiazol-2-one","","","","","","","","","","","","","","","","","","","","6-(4-Benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzothiazol-2-one","","CN1C2=C(C=C(C=C2)C(=S)N3CCC(CC3)CC4=CC=CC=C4)SC1=O","ZOKJTQKFJOHAFR-UHFFFAOYSA-N","391469",NA,"PDBC27688","690674","Present"
-"6-(4-Benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","6-(4-Benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzoxazol-2-one","","CN1C2=C(C=C(C=C2)C(=S)N3CCC(CC3)CC4=CC=CC=C4)OC1=O","CNJQSZMKUAUENY-UHFFFAOYSA-N","391466",NA,"PDBC27689","690671","Present"
-"6-(4-Bromo-phenyl)-3-(4-chloro-phenoxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","6-(4-Bromo-phenyl)-3-(4-chloro-phenoxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","C1C(=NN2C(=NN=C2S1)COC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br","WBPJFXGBOONWAA-UHFFFAOYSA-N","364168",NA,"PDBC27690","629868","Present"
-"6-(4-Bromophenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(4-Bromophenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile","","CN1C=CC=C1C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)Br)C#N","KSELWLNUJPDTPD-UHFFFAOYSA-N","19656597",NA,"PDBC27691","735020","Present"
-"6-(4-Bromophenyl)-N-(3,4-dichlorophenyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","6-(4-Bromophenyl)-N-(3,4-dichlorophenyl)-4,6-dioxohexanamide","","C1=CC(=CC=C1C(=O)CC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Br","MRMXDUCLDFQCCI-UHFFFAOYSA-N","361439",NA,"PDBC27692","624461","Present"
-"6-(4-Bromophenyl)-N-(3,4-dichlorophenyl)-4-(hydroxyimino)-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","6-(4-Bromophenyl)-N-(3,4-dichlorophenyl)-4-(hydroxyimino)-6-oxohexanamide","","C1=CC(=CC=C1C(=O)CC(=NO)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Br","WTKQQQDCJGOZNJ-OEAKJJBVSA-N","5930750",NA,"PDBC27693","632008","Present"
-"6-(4-Butylanilino)-3-methyl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-(4-Butylanilino)-3-methyl-1H-pyrimidine-2,4-dione","","CCCCC1=CC=C(C=C1)NC2=CC(=O)N(C(=O)N2)C","LMJFEXITYLADRK-UHFFFAOYSA-N","388634",NA,"PDBC27694","683646","Present"
-"6-(4-Chloroanilino)-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-(4-Chloroanilino)-9-methoxyindeno[1,2-c]quinolin-11-one","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3NC5=CC=C(C=C5)Cl","KMUSSTSNBHDCHD-UHFFFAOYSA-N","24205228",NA,"PDBC27695","734646","Present"
-"6-(4-Chlorophenyl)-1-(((4-methylphenyl)sulfonyl)methyl)-3,3-diphenyl-5-oxa-1-azaspiro[3.4]oct-6-ene-2,8-dione","","","","","","","","","","","","","","","","","","","","7-(4-Chlorophenyl)-1,1-diphenyl-3-(p-tolylsulfonylmethyl)-8-oxa-3-azaspiro[3.4]oct-6-ene-2,5-dione","","CC1=CC=C(C=C1)S(=O)(=O)CN2C(=O)C(C23C(=O)C=C(O3)C4=CC=C(C=C4)Cl)(C5=CC=CC=C5)C6=CC=CC=C6","LGPCGTRMARNBQG-UHFFFAOYSA-N","378930",NA,"PDBC27696","662438","Present"
-"6-(4-Chlorophenyl)-14-nitro-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-14-nitro-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile","","C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=C(C=C4)Cl","XZRQCANYFVRNAA-UHFFFAOYSA-N","401452",NA,"PDBC27697","715114","Present"
-"6-(4-Chlorophenyl)-2,4-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1H-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-2,4-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-pyrimidine-5-carbonitrile","","C1=CC(=CC=C1C2=C(C(=O)N(C(=O)N2)C3C(C(C(C(O3)CO)O)O)O)C#N)Cl","TYWVUIWNXGJWMK-UHFFFAOYSA-N","389668",NA,"PDBC27698","686045","Present"
-"6-(4-Chlorophenyl)-2,6-dihydroxy-4-oxo-2,5-hexadienoic acid","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-2,6-dihydroxy-4-oxo-2,5-hexadienoic acid","","C1=CC(=CC=C1C(=CC(=O)C=C(C(=O)O)O)O)Cl","UWUWEYPVPIPQDZ-IEESQIRDSA-N","5467411",NA,"PDBC27699","652166","Present"
-"6-(4-Chlorophenyl)-2-(4-methyl-5-nitro-thiazol-2-yl)-4,5-dihydropyridazin-3-one","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-2-(4-methyl-5-nitro-1,3-thiazol-2-yl)-4,5-dihydropyridazin-3(2H)-one","","CC1=C(SC(=N1)N2C(=O)CCC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]","OXOLJLXFPMAECC-UHFFFAOYSA-N","374062",NA,"PDBC27700","651318","Present"
-"6-(4-Chlorophenyl)-2-(methylthio)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","CSC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","ZOMXJYPWOAHKCD-UHFFFAOYSA-N","135431152",NA,"PDBC27701","686605","Present"
-"6-(4-Chlorophenyl)-2-mercapto-4-phenylnicotinonitrile","","","","","","","","","","","","","","","","","","","","AK-777/36503054","","C1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C3=CC=C(C=C3)Cl)C#N","MBWILBPHNMPIGN-UHFFFAOYSA-N","902392",NA,"PDBC27702","671803","Present"
-"6-(4-Chlorophenyl)-2-methoxy-3-methyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-2-methoxy-3-methyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one","","CN1C(=O)C2=C(NC(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=C1OC","BFPBEFKVWGYBGU-UHFFFAOYSA-N","389936",NA,"PDBC27703","686604","Present"
-"6-(4-Chlorophenyl)-2-methoxy-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-2-methoxy-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","COC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","BZKCCJAWOVQKQV-UHFFFAOYSA-N","135489873",NA,"PDBC27704","686603","Present"
-"6-(4-Chlorophenyl)-2-methyl-1,5,2-dioxazinane","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-2-methyl-1,5,2-dioxazinane","","CN1CCOC(O1)C2=CC=C(C=C2)Cl","ZSGNXNQBXAYFSW-UHFFFAOYSA-N","386976",NA,"PDBC27705","680218","Present"
-"6-(4-Chlorophenyl)-2-phenoxy-4,4-diphenyl-1,3-diaza-2lambda5,4lambda5-diphosphacyclohexa-3,5-diene 2-oxide","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-2-phenoxy-4,4-diphenyl-1,3-diaza-2lambda5,4lambda5-diphosphacyclohexa-3,5-diene 2-oxide","","C1=CC=C(C=C1)OP2(=O)NC(=CP(=N2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl","HJSUVYHJPMKGJT-UHFFFAOYSA-N","404664",NA,"PDBC27706","721087","Present"
-"6-(4-Chlorophenyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC678053///NSC678054","","C1=CC(=CC=C1C2=CC=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)Cl","OOIZQMMAUYMGCV-UHFFFAOYSA-N","386295",NA,"PDBC27707","678053///678054","Present"
-"6-(4-Chlorophenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","C1C(=NN2C(=NN=C2S1)C3=C(C(=CC(=C3)Cl)Cl)Cl)C4=CC=C(C=C4)Cl","JIZBGZCJZLYXDK-UHFFFAOYSA-N","24874046",NA,"PDBC27708","742071","Present"
-"6-(4-Chlorophenyl)-3-(2-piperazin-1-ylpyridin-4-yl)pyrazolo[1,5-a]pyrimidine","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-3-(2-piperazin-1-ylpyridin-4-yl)pyrazolo[1,5-a]pyrimidine","","C1CN(CCN1)C2=NC=CC(=C2)C3=C4N=CC(=CN4N=C3)C5=CC=C(C=C5)Cl","ZLHIOMMMFXGTLQ-UHFFFAOYSA-N","54613079",NA,"PDBC27709","750399","Present"
-"6-(4-Chlorophenyl)-3-[8-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-(4-chlorophenyl)-3-[8-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC(=CC=C1C2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)C6=CC=C(C=C6)Cl)Cl","JKVFLHJNBMRQBE-UHFFFAOYSA-N","395664",NA,"PDBC27710","700446","Present"
-"6-(4-Chlorophenyl)-3-[[3-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-3-[[3-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","C1=CC(=CC(=C1)OCC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)Cl)OCC5=NN=C6N5N=C(S6)C7=CC=C(C=C7)Cl","UOYHMAAOMYTHEC-UHFFFAOYSA-N","402715",NA,"PDBC27711","716903","Present"
-"6-(4-Chlorophenyl)-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one","","CN1C(=O)C2=C(NC(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=C1SC","YCECCLNKJODIRD-UHFFFAOYSA-N","389938",NA,"PDBC27712","686606","Present"
-"6-(4-Chlorophenyl)-3-prop-2-enylsulfanyl-7-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-3-prop-2-enylsulfanyl-7-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine","","C=CCSC1=NN=C2N1N=C(C(=C2)CN3CCCC3)C4=CC=C(C=C4)Cl","ACMHWQYHSAZIDC-UHFFFAOYSA-N","401100",NA,"PDBC27713","713923","Present"
-"6-(4-Chlorophenyl)-4,4,8-trimethyl-1,3,6-dioxazocan-2-one","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-4,4,8-trimethyl-1,3,6-dioxazocan-2-one","","CC1CN(CC(OC(=O)O1)(C)C)C2=CC=C(C=C2)Cl","HHBYYFQZUFSBCM-UHFFFAOYSA-N","370893",NA,"PDBC27714","644629","Present"
-"6-(4-Chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocan-2-one","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocan-2-one","","CC1CN(CC(OC(=O)O1)C)C2=CC=C(C=C2)Cl","SIONFAANZHKTEL-UHFFFAOYSA-N","370892",NA,"PDBC27715","644628","Present"
-"6-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile","","COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2)C3=CC=C(C=C3)Cl)C4C(C(C(C(O4)CO)O)O)O)C#N","NWKUBOXKROYTGF-UHFFFAOYSA-N","383451",NA,"PDBC27716","671820","Present"
-"6-(4-Chlorophenyl)-4-(5-oxo-1,3-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-4-(5-oxo-1,3-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-3(2H)-pyridazinone","","C1C(C(=O)NN=C1C2=CC=C(C=C2)Cl)C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","GQTBFFAHMNPGTR-UHFFFAOYSA-N","381564",NA,"PDBC27717","668353","Present"
-"6-(4-Chlorophenyl)-6-cyano-N-(2,4-dichlorophenyl)-5-oxohexanamide","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-6-cyano-N-(2,4-dichlorophenyl)-5-oxohexanamide","","C1=CC(=CC=C1C(C#N)C(=O)CCCC(=O)NC2=C(C=C(C=C2)Cl)Cl)Cl","IWOTVRDPOGYOFX-UHFFFAOYSA-N","360658",NA,"PDBC27718","622976","Present"
-"6-(4-Chlorophenyl)-6-cyano-N-(2,6-dimethylphenyl)-5-oxohexanamide","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-6-cyano-N-(2,6-dimethylphenyl)-5-oxohexanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C(C#N)C2=CC=C(C=C2)Cl","OZNYBCLXIGDMLX-UHFFFAOYSA-N","364964",NA,"PDBC27719","631850","Present"
-"6-(4-Chlorophenyl)-N-(3,4-dichlorophenyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","6-(4-Chlorophenyl)-N-(3,4-dichlorophenyl)-4,6-dioxohexanamide","","C1=CC(=CC=C1C(=O)CC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl","WEXRIKFVZKFHIT-UHFFFAOYSA-N","360362",NA,"PDBC27720","622420","Present"
-"6-(4-Chlorophenyl)sulfanylquinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","2,4-Quinazolinediamine, 6-[(4-chlorophenyl)thio]-","","C1=CC(=CC=C1SC2=CC3=C(C=C2)N=C(N=C3N)N)Cl","OFGRXGJDGPQWBD-UHFFFAOYSA-N","328131",NA,"PDBC27721","305767","Present"
-"6-(4-Chlorostyryl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-(4-Chlorostyryl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine","","C1C(NC2=NC(=NC(=C2N=C1C=CC3=CC=C(C=C3)Cl)N)N)C4=CC=CC=C4","QIVBVPNBLXUDTK-DHZHZOJOSA-N","5472581",NA,"PDBC27722","720258","Present"
-"6-(4-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-[4-(Dimethylamino)phenyl][1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","CN(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","GUYRKUKTQPPPFK-UHFFFAOYSA-N","373172",NA,"PDBC27723","649121","Present"
-"6-(4-Ethoxyphenyl)-2-ethyl-4-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-3(2H)-pyridazinone","","","","","","","","","","","","","","","","","","","","6-(4-ethoxyphenyl)-2-ethyl-4-(3-methyl-5-oxo-1-phenyl-4,...","","CCN1C(=O)C(CC(=N1)C2=CC=C(C=C2)OCC)C3C(=NN(C3=O)C4=CC=CC=C4)C","KDNOVJQOHLZBDA-UHFFFAOYSA-N","373515",NA,"PDBC27724","649916","Present"
-"6-(4-Ethylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one","","","","","","","","","","","","","","","","","","","","6-(4-ethylphenyl)-2-(4-(methylsulfonyl)phenyl)-4,5-dihyd...","","CCC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)C","ZQVMMGMYPDQECO-UHFFFAOYSA-N","72375195",NA,"PDBC27725","762911","Present"
-"6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one","","","","","","","","","","","","","","","","","","","","6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one","","CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)S(=O)(=O)N","SCVWZSCVSFMXEU-UHFFFAOYSA-N","54612980",NA,"PDBC27726","747558","Present"
-"6-(4-Fluorophenyl)-4-(methylthio)-8-oxo-8,9-dihydro-7H-2-thia-3,5,6,9-tetraaza-6H-benzo[cd]azulene-1-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 9-(4-fluorophenyl)-6-methylsulfanyl-11-oxo-3-thia-5,7,9,12-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate","","CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CC(=O)N2)C4=CC=C(C=C4)F","PXOPNZBXMVYVEG-UHFFFAOYSA-N","399944",NA,"PDBC27727","711096","Present"
-"6-(4-Fluorophenyl)-4-phenyl-2,3-dihydropyridazin-3-one","","","","","","","","","","","","","","","","","","","","6-(4-fluorophenyl)-4-phenyl-2,3-dihydropyridazin-3-one","","C1=CC=C(C=C1)C2=CC(=NNC2=O)C3=CC=C(C=C3)F","VFOJZZRJCCGRBS-UHFFFAOYSA-N","403915",NA,"PDBC27728","719574","Present"
-"6-(4-Fluorophenyl)-7-hydroxy-9-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one","","","","","","","","","","","","","","","","","","","","6-(4-Fluorophenyl)-7-hydroxy-9-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one","","CC1C=CN2C3=C1C(=C(C(=C3OC2=O)OC(C)C)C4=CC=C(C=C4)F)O","LVPNVIISRGWEEU-UHFFFAOYSA-N","389259",NA,"PDBC27729","685012","Present"
-"6-(4-Hydroxy-2-methylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one","","","","","","","","","","","","","","","","","","","","6-(4-hydroxy-2-methylphenyl)-2-(4-(methylsulfonyl)phenyl...","","CC1=C(C=CC(=C1)O)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)C","CIAVCYYNHAFASF-UHFFFAOYSA-N","136233493",NA,"PDBC27730","762914","Present"
-"6-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-2,4-dioxo-N,6-diphenylhexanamide","","","","","","","","","","","","","","","","","","","","6-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-2,4-dioxo-N,6-diphenylhexanamide","","C1=CC=C(C=C1)C(CC(=O)CC(=O)C(=O)NC2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","QHMRUIYNFKLZCE-UHFFFAOYSA-N","54677092",NA,"PDBC27731","647094","Present"
-"6-(4-Hydroxy-3,5-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-(4-Hydroxy-3,5-dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one","","COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","VXVPEQBPIBLWKJ-UHFFFAOYSA-N","379509",NA,"PDBC27732","664166","Present"
-"6-(4-Methoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","COC1=CC=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","NDNZFEQAUOGRDA-UHFFFAOYSA-N","373168",NA,"PDBC27733","649117","Present"
-"6-(4-Methoxyphenyl)-2,4-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1H-pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","NSC686041///NSC686044","","COC1=CC=C(C=C1)C2=C(C(=O)N(C(=O)N2)C3C(C(C(C(O3)CO)O)O)O)C#N","KJRNBRYIDIFQGF-UHFFFAOYSA-N","389666",NA,"PDBC27734","686041///686044","Present"
-"6-(4-Methoxyphenyl)-2-(4-methylphenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide","","","","","","","","","","","","","","","","","","","","3-(4-Methoxyphenyl)-1-(4-methylphenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide","","CC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC.[Br-]","KGJOMIUROIAHGM-UHFFFAOYSA-M","376163",NA,"PDBC27735","656675","Present"
-"6-(4-Methoxyphenyl)-2-(methylthio)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","COC1=CC=C(C=C1)C2=NC3=C(NC(C2)C4=CC=CC=C4)N=C(NC3=O)SC","INZLDVKUKZXJNL-UHFFFAOYSA-N","135404916",NA,"PDBC27736","686608","Present"
-"6-(4-Methoxyphenyl)-2-(trifluoromethyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-2-(trifluoromethyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate","","CN(C)C(=O)OC1=C(SC2=C(C=C(C=C2)C(F)(F)F)N3C1=CC=C3)C4=CC=C(C=C4)OC","OMUFJNPHOJTECE-UHFFFAOYSA-N","378550",NA,"PDBC27737","661185","Present"
-"6-(4-Methoxyphenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)-2H-pyran-3-carbonitrile","","COC1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C#N)N3CCN(CC3)C4=CC=CC=C4","UCLIAKOEAUNNPI-UHFFFAOYSA-N","360619",NA,"PDBC27738","622924","Present"
-"6-(4-Methoxyphenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=C(C(=CC(=C4)Cl)Cl)Cl","BWBLDIOPJDXGHY-UHFFFAOYSA-N","24874170",NA,"PDBC27739","742066","Present"
-"6-(4-Methoxyphenyl)-4,6-dioxo-5-phenyl-N-(3-(trifluoromethyl)phenyl)hexanamide","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-4,6-dioxo-5-phenyl-N-(3-(trifluoromethyl)phenyl)hexanamide","","COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)C(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F","YMTGFFPLZMCYTL-UHFFFAOYSA-N","362290",NA,"PDBC27740","625901","Present"
-"6-(4-Methoxyphenyl)-4-(2-thienylmethyl)-3-pyridazinol","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-4-(2-thienylmethyl)-3-pyridazinol","","COC1=CC=C(C=C1)C2=NNC(=O)C(=C2)CC3=CC=CS3","GQXHSRUPIKGHNA-UHFFFAOYSA-N","363655",NA,"PDBC27741","628695","Present"
-"6-(4-Methoxyphenyl)-4-sulfanylidene-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaen-8-one","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-4-sulfanylidene-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaen-8-one","","COC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OC3=O)NC(=S)N2","ZTZZIVRNXTXKNC-UHFFFAOYSA-N","5472283",NA,"PDBC27742","717576","Present"
-"6-(4-Methoxyphenyl)-5-ethyl-2-methoxy-3-methylpyran-4-one","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-5-ethyl-2-methoxy-3-methylpyran-4-one","","CCC1=C(OC(=C(C1=O)C)OC)C2=CC=C(C=C2)OC","UREQJDULEDWSHI-UHFFFAOYSA-N","390137",NA,"PDBC27743","687164","Present"
-"6-(4-Methoxyphenyl)-5-methyl-2-(2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-5-methyl-2-(2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine","","CC1=CCN(OC1C2=CC=C(C=C2)OC)C3=CC=CC=N3","DRWFAZTXANKKGB-UHFFFAOYSA-N","370843",NA,"PDBC27744","644549","Present"
-"6-(4-Methoxyphenyl)-5-methyl-2-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-5-methyl-2-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine","","CC1=CCN(OC1C2=CC=C(C=C2)OC)C3=CC=CC(=N3)C","QIDAYJGMKNVDSV-UHFFFAOYSA-N","370844",NA,"PDBC27745","644550","Present"
-"6-(4-Methoxyphenyl)-5-methyl-2-phenyl-3,6-dihydro-2H-1,2-oxazine","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-5-methyl-2-phenyl-3,6-dihydro-2H-1,2-oxazine","","CC1=CCN(OC1C2=CC=C(C=C2)OC)C3=CC=CC=C3","ZETXPZGSYHBXDK-UHFFFAOYSA-N","370847",NA,"PDBC27746","644553","Present"
-"6-(4-Methoxyphenyl)-6-thioxo-benzo[d][1,3,2]benzodioxaphosphepine","","","","","","","","","","","","","","","","","","","","Dibenzo[d,f][1,3,2]dioxaphosphepin, 6-(4-methoxyphenyl)-...","","COC1=CC=C(C=C1)P2(=S)OC3=CC=CC=C3C4=CC=CC=C4O2","ZRAPWVGPFXQJIF-UHFFFAOYSA-N","386496",NA,"PDBC27747","678866","Present"
-"6-(4-Methoxyphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine","","COC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl","QAXLOTZYAKIOGP-UHFFFAOYSA-N","11484463",NA,"PDBC27748","731105","Present"
-"6-(4-Methoxyphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione","","COC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OC3=O)NC(=O)N2","RMVBTEVXOKLDCL-UHFFFAOYSA-N","403103",NA,"PDBC27749","717575","Present"
-"6-(4-Methoxyphenyl)furo[2,3-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","GW642138X","","COC1=CC=C(C=C1)C2=CC3=C(N=CN=C3O2)N","DIJLFIHLUYAZCI-UHFFFAOYSA-N","5329802",NA,"PDBC27750","756296","Present"
-"6-(4-Methoxyphenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one","","","","","","","","","","","","","","","","","","","","6-(4-Methoxyphenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one","","CC1(CCC2=C(O1)C3=CC=CC=C3C(=NC4=CC=C(C=C4)OC)C2=O)C","NYQHVOGMNPXSSV-UHFFFAOYSA-N","396838",NA,"PDBC27751","703856","Present"
-"6-(4-Methyl-1-piperazinyl)-3,4-dihydro-2(1H)-quinoxalinone","","","","","","","","","","","","","","","","","","","","6-(4-Methyl-1-piperazinyl)-3,4-dihydro-2(1H)-quinoxalinone","","CN1CCN(CC1)C2=CC3=C(C=C2)NC(=O)CN3","JVHHLGJKLYTZAV-UHFFFAOYSA-N","393713",NA,"PDBC27752","696226","Present"
-"6-(4-Methylphenyl)-1,2-dihydropyridazine-3,4-dione","","","","","","","","","","","","","","","","","","","","Cambridge id 5238318","","CC1=CC=C(C=C1)C2=CC(=O)C(=O)NN2","HAJZXCKVNFFSNI-UHFFFAOYSA-N","390366",NA,"PDBC27753","687705","Present"
-"6-(4-Methylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one","","","","","","","","","","","","","","","","","","","","2-(4-(methylsulfonyl)phenyl)-6-p-tolyl-4,5-dihydropyrida...","","CC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)C","SFJNMJUBPDYINN-UHFFFAOYSA-N","72375194",NA,"PDBC27754","762908","Present"
-"6-(4-Methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione","","","","","","","","","","","","","","","","","","","","6-(4-Methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione","","CC1=CC=C(C=C1)N2C(=O)C3CSCN3C2=O","MWMWTFFHMXEJNL-UHFFFAOYSA-N","357328",NA,"PDBC27755","615578","Present"
-"6-(4-Methylphenyl)-4,17-dithia-2,7,8-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one","","","","","","","","","","","","","","","","","","","","6-(4-Methylphenyl)-4,17-dithia-2,7,8-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one","","CC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC5=C4CCCC5","COSAOXZFDJQNPC-UHFFFAOYSA-N","384935",NA,"PDBC27756","675757","Present"
-"6-(4-Methylphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","6-(4-Methylphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine","","CC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl","NYVLXPZNIVIRFN-UHFFFAOYSA-N","11336170",NA,"PDBC27757","731104","Present"
-"6-(4-Methylphenyl)-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","6-(4-Methylphenyl)-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine","","CC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)OC","IDDBUVVTZFNIJD-UHFFFAOYSA-N","11771442",NA,"PDBC27758","730267","Present"
-"6-(4-Methylphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-(4-Methylphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine","","CC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3NC(C2)C4=CC=CC=C4)N)N","JMNFCUSKFATQJW-UHFFFAOYSA-N","388801",NA,"PDBC27759","683889","Present"
-"6-(4-Methylpiperazin-1-yl)-2-(3-methoxyphenyl)quinolin-4(1H)-one","","","","","","","","","","","","","","","","","","","","2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)quinolin-4-ol","","CN1CCN(CC1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC(=CC=C4)OC","JTPGUKWWWLQMOZ-UHFFFAOYSA-N","379513",NA,"PDBC27760","664170","Present"
-"6-(4-Methylsulfanylanilino)pyrimidine-2,4-diol","","","","","","","","","","","","","","","","","","","","6-(4-(Methylthio)anilino)-2,4-pyrimidinediol","","CSC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2","DVXLTQOKTSFNGM-UHFFFAOYSA-N","389517",NA,"PDBC27761","685808","Present"
-"6-(4-Morpholinyl)-3,4-dihydro-2(1H)-quinoxalinone","","","","","","","","","","","","","","","","","","","","6-(4-Morpholinyl)-3,4-dihydro-2(1H)-quinoxalinone","","C1COCCN1C2=CC3=C(C=C2)NC(=O)CN3","FKRRSRIVFUELDS-UHFFFAOYSA-N","393714",NA,"PDBC27762","696227","Present"
-"6-(4-Nitrophenyl)-2-phenyl-thiazolo[3,2-b][1,2,4]triazole","","","","","","","","","","","","","","","","","","","","6-(4-Nitrophenyl)-2-phenyl-thiazolo[2,3-e][1,2,4]triazole","","C1=CC=C(C=C1)C2=NN3C(=CSC3=N2)C4=CC=C(C=C4)[N+](=O)[O-]","NPJHYMWQVRUNAQ-UHFFFAOYSA-N","388417",NA,"PDBC27763","683325","Present"
-"6-(4-Nitrophenyl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaene-5-carbonitrile","","","","","","","","","","","","","","","","","","","","6-(4-Nitrophenyl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaene-5-carbonitrile","","C1CC2=CC=CC=C2C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=C(C=C4)[N+](=O)[O-]","MTRQHXFJAFZDNX-UHFFFAOYSA-N","403238",NA,"PDBC27764","717897","Present"
-"6-(4-Oxo-4H-chromen-2-yl)-N-(4-pyridinylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide","","","","","","","","","","","","","","","","","","","","6-(4-Oxo-4H-chromen-2-yl)-N-(4-pyridinylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide","","C1C(OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3)C(=O)NCC5=CC=NC=C5","VMFSBYCGHKGKHT-UHFFFAOYSA-N","361056",NA,"PDBC27765","623797","Present"
-"6-(4-Phenoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","6-(4-Phenoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=C(C=C4)OC5=CC=CC=C5","RLBXEENBVHIEDK-UHFFFAOYSA-N","373171",NA,"PDBC27766","649120","Present"
-"6-(4-Phenylpiperazin-1-yl)-3,4-dihydro-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","6-(4-Phenylpiperazin-1-yl)-3,4-dihydro-1H-quinoxalin-2-one","","C1CN(CCN1C2=CC=CC=C2)C3=CC4=C(C=C3)NC(=O)CN4","IFPWYJJGAUIPFD-UHFFFAOYSA-N","393715",NA,"PDBC27767","696228","Present"
-"6-(4-Pyridinyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole","","","","","","","","","","","","","","","","","","","","6-(4-Pyridinyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole","","C1CSC2=NC(=CN21)C3=CC=NC=C3","PGKBPNVZTCMLPE-UHFFFAOYSA-N","369511",NA,"PDBC27768","641291","Present"
-"6-(4-Tert-butylphenoxy)pyridin-3-amine","","","","","","","","","","","","","","","","","","","","CB-103","","CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)N","WHIWGRCYMQLLAO-UHFFFAOYSA-N","2735289",NA,"PDBC27769","823659","Present"
-"6-(4-Trichloroacetyloxy-1-butyl)-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(4-Trichloroacetyloxy-1-butyl)-5,6-dihydro-2,3-dimetho...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCOC(=O)C(Cl)(Cl)Cl)OC","ZNPUOQQCEJINCR-UHFFFAOYSA-N","45027858",NA,"PDBC27770","728857","Present"
-"6-(4-Trifluoroacetyloxy-1-butyl)-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinline","","","","","","","","","","","","","","","","","","","","6-(4-Trifluoroacetyloxy-1-butyl)-5,6-dihydro-2,3-dimetho...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCOC(=O)C(F)(F)F)OC","FJAUPDZHDDSGQP-UHFFFAOYSA-N","45027859",NA,"PDBC27771","728858","Present"
-"6-(5,6-Dichloro-1H-benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(5,6-Dichloro-1H-benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-carboxylic acid","","CC1(C(CCC(O1)(C)C2=NC3=CC(=C(C=C3N2)Cl)Cl)C(=O)O)C","QSPIKFKGKSSIKJ-UHFFFAOYSA-N","388081",NA,"PDBC27772","682544","Present"
-"6-(5-(Hydroxy(oxido)amino)-1,3,6-cycloheptatrien-1-yl)-2-mercapto-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-(5-Nitrocyclohepta-1,3,6-trien-1-yl)-2-sulfanylidene-N-(1,3-thiazol-2-yl)-1H-pyrimidine-6-carboxamide","","C1=CC(C=CC(=C1)C2=NC(=S)NC(=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]","OZAYELULOHTLPH-UHFFFAOYSA-N","3004125",NA,"PDBC27773","630366","Present"
-"6-(5-Aminopentyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline hydrochloride","","","","","","","","","","","","","","","","","","","","6-(5-Aminopentyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCN.Cl","QTQJHZZMWNNAFI-UHFFFAOYSA-N","16221201",NA,"PDBC27774","736829","Present"
-"6-(5-Hexen-1-yl)-2-methylellipticinium acetate","","","","","","","","","","","","","","","","","","","","6-(5-Hexen-1-yl)-2-methylellipticinium acetate","","CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCC=C)C)C.CC(=O)[O-]","GMDZLMBCOXUGHY-UHFFFAOYSA-M","365250",NA,"PDBC27775","632624","Present"
-"6-(5-Hydroxypentylamino)pyrimidine-2,4-diol","","","","","","","","","","","","","","","","","","","","6-(5-Hydroxypentylamino)pyrimidine-2,4-diol","","C1=C(NC(=O)NC1=O)NCCCCCO","WZNPZRNIEVJPCF-UHFFFAOYSA-N","388646",NA,"PDBC27776","683658","Present"
-"6-(5-Imino-2,4-dimethyl-benzo[b][1,8]naphthyridin-10-yl)hexan-1-ol","","","","","","","","","","","","","","","","","","","","6-(5-Imino-2,4-dimethyl-pyrido[2,3-b]quinolin-10-yl)hexan-1-ol","","CC1=CC(=NC2=C1C(=N)C3=CC=CC=C3N2CCCCCCO)C","UQSPFMIFABHKSY-UHFFFAOYSA-N","393121",NA,"PDBC27777","694521","Present"
-"6-(5-Nitro-2-furyl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine 2,2-dioxide","","","","","","","","","","","","","","","","","","","","6-(5-Nitro-2-furyl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine 2,2-dioxide","","C1=C(OC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C(=NS(=O)(=O)N3)N","MFZIUVRPQNKZFL-UHFFFAOYSA-N","135408995",NA,"PDBC27778","652585","Present"
-"6-(5-Nitro-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","6-(5-Nitro-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","C1C(=NN2C=NN=C2S1)C3=CC=C(O3)[N+](=O)[O-]","XXYGMDHPEVSWBI-UHFFFAOYSA-N","364210",NA,"PDBC27779","629972","Present"
-"6-(5-Nitro-furan-2-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","","","","","","","","","","","","","","","","","","","6-(5-Nitro-furan-2-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine","","C1C(=NN2C(=NN=C2S1)C3=CC=CC=C3)C4=CC=C(O4)[N+](=O)[O-]","SCQCPMKKTIXRFD-UHFFFAOYSA-N","364211",NA,"PDBC27780","629973","Present"
-"6-(5-Nitropyridin-2-yl)sulfanyl-7H-purin-2-amine","","","","","","","","","","","","","","","","","","","","6-(5-Nitropyridin-2-yl)sulfanyl-7H-purin-2-amine","","C1=CC(=NC=C1[N+](=O)[O-])SC2=NC(=NC3=C2NC=N3)N","WYJFAXJZRYHOEC-UHFFFAOYSA-N","3977545",NA,"PDBC27781","704077","Present"
-"6-(5-Tetrahydropyranylossi-1-pentynyl)-2(2H)-pyranone","","","","","","","","","","","","","","","","","","","","6-(5-tetrahydropyranylossi-1-pentynyl)-2(2H)-pyranone","","C1CC(OC1)OCCCCC#CC2=CC=CC(=O)O2","BTWATBHXZHIZLY-UHFFFAOYSA-N","24203140",NA,"PDBC27782","726861","Present"
-"6-(6-Aminohexyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(6-Aminohexyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCN.Cl","RQCIYCGWTNGFCB-UHFFFAOYSA-N","16221320",NA,"PDBC27783","736832","Present"
-"6-(6-Aminopurin-9-yl)-2-ethoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;benzene","","","","","","","","","","","","","","","","","","","","6-(6-Aminopurin-9-yl)-2-ethoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;benzene","","CCOP1(=O)OCC2C(O1)C(C(O2)N3C=NC4=C(N=CN=C43)N)O.C1=CC=CC=C1","IRTSOWBBYWGRAO-UHFFFAOYSA-N","5458341",NA,"PDBC27784","157722","Present"
-"6-(6-Chlorohexyl)-5,11-dimethylpyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","6-(6-Chlorohexyl)-5,11-dimethylpyrido[4,3-b]carbazole","","CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCCCCl)C","QXRJZUMTRPUNTN-UHFFFAOYSA-N","294879",NA,"PDBC27785","164018","Present"
-"6-(6-Chrysenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione","","","","","","","","","","","","","","","","","","","","5H-Dibenz[c,e]azepine-5,7(6H)-dione,6-(6-chrysenyl)-","","C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N5C(=O)C6=CC=CC=C6C7=CC=CC=C7C5=O","SQTNIIDYSRRCTE-UHFFFAOYSA-N","278721",NA,"PDBC27786","128609","Present"
-"6-(6-Formyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","6-(6-Formyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carbaldehyde","","C1OC2=C(O1)C=C(C(=C2)C=O)C3=CC4=C(C=C3C=O)OCO4","YIZUURXCQYVELL-UHFFFAOYSA-N","372299",NA,"PDBC27787","647358","Present"
-"6-(6-Oxo-6h-benzo[c]chromen-2-yl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione","","","","","","","","","","","","","","","","","","","","6-(6-Oxo-6h-benzo[c]chromen-2-yl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)N(C2=O)C4=CC5=C(C=C4)OC(=O)C6=CC=CC=C65","VICGFCOICVDWNK-UHFFFAOYSA-N","278719",NA,"PDBC27788","128607","Present"
-"6-(7'-Tert-BOC-aminoheptyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(7'-tert-BOC-aminoheptyl)-5,6-dihydro-5,11-dioxo-11H-i...","","CC(C)(C)OC(=O)NCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","MKGPVEKZHFOBNH-UHFFFAOYSA-N","16221147",NA,"PDBC27789","740269","Present"
-"6-(7-Acetoxy-1,3-heptadiyn-1-yl)-2(2H)pyranone","","","","","","","","","","","","","","","","","","","","6-(7-acetoxy-1,3-heptadiyn-1-yl)-2(2H)pyranone","","CC(=O)OCCCC#CC#CC1=CC=CC(=O)O1","GOZYIRFTJJRAPN-UHFFFAOYSA-N","11322505",NA,"PDBC27790","727041","Present"
-"6-(7-Amonoheptyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(7-amonoheptyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2-...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCN.Cl","XZYQPYXTCVISKA-UHFFFAOYSA-N","16221203",NA,"PDBC27791","740508","Present"
-"6-(7-Hydroxy-1,3-heptadiynyl)-2(2h)-pyranone","","","","","","","","","","","","","","","","","","","","6-(7-hydroxy-1,3-heptadiynyl)-2(2h)-pyranone","","C1=CC(=O)OC(=C1)C#CC#CCCCO","BKTZMEUVJHJSMK-UHFFFAOYSA-N","24203168",NA,"PDBC27792","727039","Present"
-"6-(7-Oxobenzo[d][1]benzazepin-6-yl)benzo[d][1]benzazepin-7-one","","","","","","","","","","","","","","","","","","","","6-(7-Oxobenzo[d][1]benzazepin-6-yl)benzo[d][1]benzazepin-7-one","","C1=CC=C2C(=C1)C3=CC=CC=C3N=C(C2=O)C4=NC5=CC=CC=C5C6=CC=CC=C6C4=O","YKYZLIJAYCKHLR-UHFFFAOYSA-N","402686",NA,"PDBC27793","716872","Present"
-"6-(8'-Tert-BOC-aminooctyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(8'-tert-BOC-aminooctyl)-5,6-dihydro-5,11-dioxo-11H-in...","","CC(C)(C)OC(=O)NCCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","TUVVWUBRVFNQSD-UHFFFAOYSA-N","16221265",NA,"PDBC27794","740271","Present"
-"6-(8-Aminooctyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(8-aminooctyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2-c...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCCN.Cl","FLAGWBIQDIPCGF-UHFFFAOYSA-N","16221321",NA,"PDBC27795","740509","Present"
-"6-(9'-Tert-BOC-aminononyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-(9'-tert-BOC-aminononyl)-5,6-dihydro-5,11-dioxo-11H-in...","","CC(C)(C)OC(=O)NCCCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","PCGWBTYJIYRUAE-UHFFFAOYSA-N","16221148",NA,"PDBC27796","740274","Present"
-"6-(9-Aminononyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-(9-Aminononyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2-c...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCCCN.Cl","UJPNNXFCZNOYER-UHFFFAOYSA-N","16221205",NA,"PDBC27797","740565","Present"
-"6-(Acetylamino)-2-(3-chlorophenyl)quinolin-4(1H)-one","","","","","","","","","","","","","","","","","","","","6-(Acetylamino)-2-(3-chlorophenyl)quinolin-4(1H)-one","","CC(=O)NC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)Cl","JPIAGESTEGBCNE-UHFFFAOYSA-N","377394",NA,"PDBC27798","658837","Present"
-"6-(Acetylamino)-2-(3-fluorophenyl)quinolin-4(1H)-one","","","","","","","","","","","","","","","","","","","","6-(Acetylamino)-2-(3-fluorophenyl)quinolin-4(1H)-one","","CC(=O)NC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)F","SNJDIYIRSGAION-UHFFFAOYSA-N","376375",NA,"PDBC27799","657277","Present"
-"6-(Acetylamino)-5-imino-7-methyl-8-oxo-2,3,5,8-tetrahydro-1H-pyrrolo(1,2-a)benzimidazol-3-yl benzoate","","","","","","","","","","","","","","","","","","","","syn/anti-6-Acetamido-5-imino-7methyl-2,3-dihydro-1H-pyrr...","","CC1=C(C(=N)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C4=CC=CC=C4)NC(=O)C","LINVEZGIQLALNN-UHFFFAOYSA-N","377194",NA,"PDBC27800","658421","Present"
-"6-(Acetyloxymethyl)-8-(1,3-benzodioxol-5-yl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(Acetyloxymethyl)-8-(1,3-benzodioxol-5-yl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","CC(=O)OCC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC5=C(C=C4)OCO5)C(=O)O","CNYVWIAXGRHPQV-UHFFFAOYSA-N","358798",NA,"PDBC27801","618867","Present"
-"6-(Acetyloxymethyl)-8-(2,4-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(Acetyloxymethyl)-8-(2,4-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","CC(=O)OCC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=C(C=C(C=C4)OC)OC)C(=O)O","JXWOGGXSDWPUSV-UHFFFAOYSA-N","358799",NA,"PDBC27802","618868","Present"
-"6-(Acetyloxymethyl)-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(Acetyloxymethyl)-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","CC(=O)OCC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)O","RPIXQFLHLFXXGV-UHFFFAOYSA-N","358791",NA,"PDBC27803","618860","Present"
-"6-(Acetyloxymethyl)-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(Acetyloxymethyl)-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","CC(=O)OCC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)OC)C(=O)O","DAOOIVSMQFEKIW-UHFFFAOYSA-N","358804",NA,"PDBC27804","618873","Present"
-"6-(Azidomethyl)-4,5-dibenzyloxy-tetrahydropyran-3-ol","","","","","","","","","","","","","","","","","","","","2,6-Anhydro-3,4-di-O-benzyl-1-deoxy-1-(2.lambda.~5~-1,2-triazadienyl)hexitol","","C1C(C(C(C(O1)CN=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)O","IXUXOCVYBHXBOU-UHFFFAOYSA-N","384674",NA,"PDBC27805","674719","Present"
-"6-(Aziridin-1-yl)-3-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione","","","","","","","","","","","","","","","","","","","","1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 2,3-dihydro- 6...","","CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)O)N4CC4","CUWRQGLHMSVVKC-UHFFFAOYSA-N","374004",NA,"PDBC27806","651078","Present"
-"6-(Benzenesulfinyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione","","","","","","","","","","","","","","","","","","","","7-(Benzenesulfinyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione","","CN1C(=O)N2CC(N2C1=O)S(=O)C3=CC=CC=C3","UZKXFVPLDGUCAU-UHFFFAOYSA-N","391909",NA,"PDBC27807","691590","Present"
-"6-(Benzenesulfonyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione","","","","","","","","","","","","","","","","","","","","7-(Benzenesulfonyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione","","CN1C(=O)N2CC(N2C1=O)S(=O)(=O)C3=CC=CC=C3","QWLORWNZNJNBMN-UHFFFAOYSA-N","391910",NA,"PDBC27808","691591","Present"
-"6-(Benzoylamino)-N-isobutyl-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","6-Benzamido-N-(2-methylpropyl)-2,4-dioxo-3-phenyl-1H-thieno[2,3-d]pyrimidine-5-carboxamide","","CC(C)CNC(=O)C1=C(SC2=C1C(=O)N(C(=O)N2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4","IWDJWKPZPVONOF-UHFFFAOYSA-N","381181",NA,"PDBC27809","667512","Present"
-"6-(Benzylamino)-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","6-(Benzylamino)-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1C(C2=C(SC(=C2C1=O)Cl)Cl)NCC3=CC=CC=C3","JEAQIQHZRSZYRC-UHFFFAOYSA-N","396937",NA,"PDBC27810","704119","Present"
-"6-(Benzylideneamino)-3-(4-methoxyphenyl)-2-methyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","6-(Benzylideneamino)-3-(4-methoxyphenyl)-2-methyl-4(3H)-quinazolinone","","CC1=NC2=C(C=C(C=C2)N=CC3=CC=CC=C3)C(=O)N1C4=CC=C(C=C4)OC","BXOGBVSDUZVZFG-UHFFFAOYSA-N","386691",NA,"PDBC27811","679221","Present"
-"6-(Benzyloxy)-2,2,6-trimethyl-1,4-diazabicyclo[3.2.0]heptan-7-one","","","","","","","","","","","","","","","","","","","","6-(Benzyloxy)-2,2,6-trimethyl-1,4-diazabicyclo[3.2.0]heptan-7-one","","CC1(CNC2N1C(=O)C2(C)OCC3=CC=CC=C3)C","DQVBIFYVYXCTBY-UHFFFAOYSA-N","373033",NA,"PDBC27812","648866","Present"
-"6-(Benzyloxy)-2-isopropyl-6-methyl-1,4-diazabicyclo[3.2.0]heptan-7-one","","","","","","","","","","","","","","","","","","","","6-(Benzyloxy)-2-isopropyl-6-methyl-1,4-diazabicyclo[3.2.0]heptan-7-one","","CC(C)C1CNC2N1C(=O)C2(C)OCC3=CC=CC=C3","VNZBYAMUNLVHEA-UHFFFAOYSA-N","373029",NA,"PDBC27813","648862","Present"
-"6-(Benzyloxy)-2-methoxy-5-nitroso-4-pyrimidinamine","","","","","","","","","","","","","","","","","","","","6-(Benzyloxy)-2-methoxy-5-nitroso-4-pyrimidinamine","","COC1=NC(=C(C(=N1)OCC2=CC=CC=C2)N=O)N","IRUZRGKXYPCVSQ-UHFFFAOYSA-N","378838",NA,"PDBC27814","662155","Present"
-"6-(Benzyloxy)-5-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one","","","","","","","","","","","","","","","","","","","","(1R)-5-endo-Bromo-6-exo-benzyloxycamphor///(1R)-5-endo-Bromo-6-endo-benzoyloxycamphor","","CC1(C2CC(=O)C1(C(C2Br)OCC3=CC=CC=C3)C)C","NLGHJXPXSDXPOH-UHFFFAOYSA-N","376767",NA,"PDBC27815","657824///657827","Present"
-"6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","OR8600T","","COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OCC3=CC=CC=C3","JMOOGCFXFNKYCS-UHFFFAOYSA-N","260801",NA,"PDBC27816","92530","Present"
-"6-(Benzyloxy)-6-cyclopropyl-2-isopropyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one","","","","","","","","","","","","","","","","","","","","6-(Benzyloxy)-6-cyclopropyl-2-isopropyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one","","CC(C)C1CSC2N1C(=O)C2(C3CC3)OCC4=CC=CC=C4","PVAYOPQURUHFJD-UHFFFAOYSA-N","378333",NA,"PDBC27817","660368","Present"
-"6-(Benzyloxycarbonylamino)-2-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O","KQAYCLXEQVMWMJ-UHFFFAOYSA-N","381798",NA,"PDBC27818","668876","Present"
-"6-(Benzylthio)-9-propyl-9H-purin-2-amine","","","","","","","","","","","","","","","","","","","","6-(Benzylsulfanyl)-9-propyl-9h-purin-2-amine","","CCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)N","JXOXYPGUGSIABS-UHFFFAOYSA-N","238156",NA,"PDBC27819","42379","Present"
-"6-(Bromomethyl)-2,3-dimethyl-7H-imidazo[4,5-g]quinazoline-4,8,9-trione","","","","","","","","","","","","","","","","","","","","6-(Bromomethyl)-2,3-dimethyl-7H-imidazo[4,5-g]quinazoline-4,8,9-trione","","CC1=NC2=C(N1C)C(=O)C3=C(C2=O)C(=O)NC(=N3)CBr","UMATXTVTALLULJ-UHFFFAOYSA-N","135503402",NA,"PDBC27820","622243","Present"
-"6-(Bromomethyl)anthracene-1,4-dione","","","","","","","","","","","","","","","","","","","","6-(bromomethyl)-1,4-anthracenedione.","","C1=CC2=CC3=C(C=C2C=C1CBr)C(=O)C=CC3=O","YZTASELZZRJKCU-UHFFFAOYSA-N","9995010",NA,"PDBC27821","727286","Present"
-"6-(Chloromethyl)-N-Phenyl-1,3,5-Triazine-2,4-Diamine","","","","","","","","","","","","","","","","","","","","s-Triazine, 2-amino-4-anilino-6-(chloromethyl)-","","C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl","ZEXYPLRLARKYLF-UHFFFAOYSA-N","34942",NA,"PDBC27822","89736","Present"
-"6-(Chloromethyl)-N-naphthalen-2-yl-2-oxochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-(Chloromethyl)-N-naphthalen-2-yl-2-oxochromene-3-carboxamide","","C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC4=C(C=CC(=C4)CCl)OC3=O","LHCCVBZNXRRLDN-UHFFFAOYSA-N","402502",NA,"PDBC27823","716528","Present"
-"6-(Cyclohexylmethoxy)-9-methyl-9h-purin-2-amine","","","","","","","","","","","","","","","","","","","","2-amino-6-cyclohexylmethoxy-N(sup 9)-methylpurine","","CN1C=NC2=C1N=C(N=C2OCC3CCCCC3)N","IZBCFXDXJUOCNZ-UHFFFAOYSA-N","398149",NA,"PDBC27824","707617","Present"
-"6-(Dibenzylamino)-2,2-dimethyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one","","","","","","","","","","","","","","","","","","","","6-(Dibenzylamino)-2,2-dimethyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one","","CC1(COC2N1C(=O)C2N(CC3=CC=CC=C3)CC4=CC=CC=C4)C","CBUHRTWRODPERM-UHFFFAOYSA-N","362488",NA,"PDBC27825","626498","Present"
-"6-(Diethylamino)-N,N-diethyl-4-(4-morpholinyl)-2-oxo-2H-pyran-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-(Diethylamino)-N,N-diethyl-4-(4-morpholinyl)-2-oxo-2H-pyran-3-carboxamide","","CCN(CC)C1=CC(=C(C(=O)O1)C(=O)N(CC)CC)N2CCOCC2","OKAXQLYZCFNJIQ-UHFFFAOYSA-N","375435",NA,"PDBC27826","655158","Present"
-"6-(Diethylaminoethyl)diquino-1,4-thiazine","","","","","","","","","","","","","","","","","","","","6-(diethylaminoethyl)diquino-1,4-thiazine","","CCN(CC)CCN1C2=NC3=CC=CC=C3C=C2SC4=CC5=CC=CC=C5N=C41","XDKDBQZAQPTXME-UHFFFAOYSA-N","24858011",NA,"PDBC27827","744656","Present"
-"6-(Dimethoxymethyl)-1,3-benzodioxole-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","6-(Dimethoxymethyl)-1,3-benzodioxole-5-carbaldehyde","","COC(C1=CC2=C(C=C1C=O)OCO2)OC","RWYRPEMGCYSEEM-UHFFFAOYSA-N","357964",NA,"PDBC27828","617639","Present"
-"6-(Dimethylamino)-2,2-dimethyl-4-(2-pyridinyl)-3-hexanone","","","","","","","","","","","","","","","","","","","","6-(Dimethylamino)-2,2-dimethyl-4-(2-pyridinyl)-3-hexanone","","CC(C)(C)C(=O)C(CCN(C)C)C1=CC=CC=N1","WHFIZBVXVJYPFM-UHFFFAOYSA-N","238460",NA,"PDBC27829","42808","Present"
-"6-(Dimethylamino)-2-(3-methoxyphenyl)quinolin-4(1h)-one","","","","","","","","","","","","","","","","","","","","NSC664172///4-(1H)Quinolinone, 2-(3-methoxyphenyl)-6-(dimethylamino)-","","CN(C)C1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)OC","QWTLGBXHTGTPMU-UHFFFAOYSA-N","379515",NA,"PDBC27830","664172///664173","Present"
-"6-(Dimethylamino)-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-(Dimethylamino)-9-methoxyindeno[1,2-c]quinolin-11-one","","CN(C)C1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC","XFKQQPZRLCVZOJ-UHFFFAOYSA-N","24205573",NA,"PDBC27831","736182","Present"
-"6-(Dimethylaminopropyl)diquino-1,4-thiazine","","","","","","","","","","","","","","","","","","","","6-(dimethylaminopropyl)diquino-1,4-thiazine","","CN(C)CCCN1C2=NC3=CC=CC=C3C=C2SC4=CC5=CC=CC=C5N=C41","ZXBQCBXQRGOEHD-UHFFFAOYSA-N","24858163",NA,"PDBC27832","744660","Present"
-"6-(Dimethylarsanylsulfanylmethyl)oxane-2,3,4,5-tetrol","","","","","","","","","","","","","","","","","","","","6-thio-.beta.-d-glucopyranose, 6-(dimethylarsinite)","","C[As](C)SCC1C(C(C(C(O1)O)O)O)O","MGSFMZYHFQRBQS-UHFFFAOYSA-N","311912",NA,"PDBC27833","218476","Present"
-"6-(Ethylamino)-1,3-dimethyl-2,4(1H,3H)-pteridinedione","","","","","","","","","","","","","","","","","","","","6-(Ethylamino)-1,3-dimethyl-2,4(1H,3H)-pteridinedione","","CCNC1=CN=C2C(=N1)C(=O)N(C(=O)N2C)C","BSBFNRWYEWTDIV-UHFFFAOYSA-N","375735",NA,"PDBC27834","655744","Present"
-"6-(Ethylsulfanylmethyl)-2-(4-fluorophenyl)-3,4-diphenyloxan-4-ol","","","","","","","","","","","","","","","","","","","","6-(Ethylsulfanylmethyl)-2-(4-fluorophenyl)-3,4-diphenyloxan-4-ol","","CCSCC1CC(C(C(O1)C2=CC=C(C=C2)F)C3=CC=CC=C3)(C4=CC=CC=C4)O","FSXDGPMVZPSKCM-UHFFFAOYSA-N","54613758",NA,"PDBC27835","750254","Present"
-"6-(Ethylthio)-1,3-dimethyluracil","","","","","","","","","","","","","","","","","","","","FCH1405780","","CCSC1=CC(=O)N(C(=O)N1C)C","ONPOQHGFCFKOIC-UHFFFAOYSA-N","389796",NA,"PDBC27836","686400","Present"
-"6-(Ethylthio)-5-(4-methoxybenzyl)-3-phenyl-1,2,4-triazine","","","","","","","","","","","","","","","","","","","","6-(Ethylthio)-5-(4-methoxybenzyl)-3-phenyl-1,2,4-triazine","","CCSC1=C(N=C(N=N1)C2=CC=CC=C2)CC3=CC=C(C=C3)OC","VIYZQYSEYPLYNR-UHFFFAOYSA-N","375421",NA,"PDBC27837","655141","Present"
-"6-(Fluoromethyl)-2-mercapto-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","6-(Fluoromethyl)-2-mercapto-4-pyrimidinol","","C1=C(NC(=S)NC1=O)CF","PTFKKKOYWVQBCY-UHFFFAOYSA-N","3246120",NA,"PDBC27838","33035","Present"
-"6-(Hexynyl)-2(2H)-pyranone","","","","","","","","","","","","","","","","","","","","6-(hexynyl)-2(2H)-pyranone","","CCCCC#CC1=CC=CC(=O)O1","SOXKIWKNGLVASY-UHFFFAOYSA-N","24203137",NA,"PDBC27839","726858","Present"
-"6-(Hydroxy(oxido)amino)-N-(2-methoxyphenyl)-3-methyl-2-quinoxalinecarboxamide","","","","","","","","","","","","","","","","","","","","6-(Hydroxy(oxido)amino)-N-(2-methoxyphenyl)-3-methyl-2-quinoxalinecarboxamide","","CC1=C(N=C2C=CC(=CC2=N1)[N+](=O)[O-])C(=O)NC3=CC=CC=C3OC","OWINEJIJYHTIPT-UHFFFAOYSA-N","369464",NA,"PDBC27840","641234","Present"
-"6-(Hydroxymethyl)-1,4-anthracenedione","","","","","","","","","","","","","","","","","","","","6-(hydroxymethyl)-1,4-anthracenedione.","","C1=CC2=CC3=C(C=C2C=C1CO)C(=O)C=CC3=O","RIEVVLNXNBBIHG-UHFFFAOYSA-N","11402158",NA,"PDBC27841","727285","Present"
-"6-(Hydroxymethyl)-4-oxo-4H-pyran-3-yl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","4H-Pyran-4-one, 2-(hydroxymethyl)-5-[[(4-methylphenyl)su...","","CC1=CC=C(C=C1)S(=O)(=O)OC2=COC(=CC2=O)CO","BYDFHDQOBGSPEW-UHFFFAOYSA-N","395499",NA,"PDBC27842","700141","Present"
-"6-(Hydroxymethyl)-8-(2-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(Hydroxymethyl)-8-(2-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","COC1=CC=CC=C1C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","ITSICKZMPBTGLW-UHFFFAOYSA-N","359107",NA,"PDBC27843","619689","Present"
-"6-(Hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(Hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","IVFHQTFNUWDEAD-UHFFFAOYSA-N","358794",NA,"PDBC27844","618863","Present"
-"6-(Hydroxymethyl)-8-(3-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(Hydroxymethyl)-8-(3-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","COC1=CC=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","YTYRHJIDNMHEKD-UHFFFAOYSA-N","359111",NA,"PDBC27845","619691","Present"
-"6-(Hydroxymethyl)-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(Hydroxymethyl)-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","COC1=CC=C(C=C1)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","AHQHMSPDODQHFH-UHFFFAOYSA-N","358803",NA,"PDBC27846","618872","Present"
-"6-(Methoxymethyl)-1,3,6-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7,12(19),13,15,17-hexaene","","","","","","","","","","","","","","","","","","","","6-(Methoxymethyl)-1,3,6-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7,12(19),13,15,17-hexaene","","COCN1CCN=C2C1=C3CCCC4=C3N2C5=CC=CC=C45","UKRVTRALNUIWPH-UHFFFAOYSA-N","396630",NA,"PDBC27847","703129","Present"
-"6-(Methylsulfonyl)-9H-purin-2-amine","","","","","","","","","","","","","","","","","","","","1H-Purin-2-amime, 6-(methylsulfonyl)-","","CS(=O)(=O)C1=NC(=NC2=C1NC=N2)N","BMLIZZUILSDYDO-UHFFFAOYSA-N","5351179",NA,"PDBC27848","63446","Present"
-"6-(Methylsulfonylmethyl)-3-[7-[6-(methylsulfonylmethyl)-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","6-(Methylsulfonylmethyl)-3-[7-[6-(methylsulfonylmethyl)-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one","","CS(=O)(=O)CC1=NC2=NN=C(N2C1=O)CCCCCCCC3=NN=C4N3C(=O)C(=N4)CS(=O)(=O)C","ILLSAKAQRZKXAU-UHFFFAOYSA-N","362242",NA,"PDBC27849","625846","Present"
-"6-(Methylthio)-7H-quino[3,2-d][1]benzazepine","","","","","","","","","","","","","","","","","","","","6-(Methylthio)-7H-quino[3,2-d][1]benzazepine","","CSC1=NC2=CC=CC=C2C3=NC4=CC=CC=C4C=C3C1","OGFJXQMWIHXIGR-UHFFFAOYSA-N","387018",NA,"PDBC27850","680339","Present"
-"6-(Phenylethynyl)-2(2H)-pyranone","","","","","","","","","","","","","","","","","","","","6-(phenylethynyl)-2(2H)-pyranone","","C1=CC=C(C=C1)C#CC2=CC=CC(=O)O2","HUFQJXKYSPQVKX-UHFFFAOYSA-N","24203139",NA,"PDBC27851","726860","Present"
-"6-(Phenylethynyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","6-(phenylethynyl)-5-(3,4,5-trimethoxyphenyl)-2H-pyran-2-one","","COC1=CC(=CC(=C1OC)OC)C2=C(OC(=O)C=C2)C#CC3=CC=CC=C3","KBJMQVSEFOSBNW-UHFFFAOYSA-N","45028146",NA,"PDBC27852","741287","Present"
-"6-(Phenylethynyl)-5-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","6-(phenylethynyl)-5-[(3,4,5-trimethoxyphenyl)ethynyl]-2H...","","COC1=CC(=CC(=C1OC)OC)C#CC2=C(OC(=O)C=C2)C#CC3=CC=CC=C3","WTFMOKPCXXJBOF-UHFFFAOYSA-N","45028147",NA,"PDBC27853","741288","Present"
-"6-(Phenylethynyl)-8-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine","","","","","","","","","","","","","","","","","","","","6-(Phenylethynyl)-8-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine","","C1CCOC(C1)N2C3=NC=NC(=C3N=C2Cl)C#CC4=CC=CC=C4","VUFYZVTWLJHBHU-UHFFFAOYSA-N","401174",NA,"PDBC27854","714375","Present"
-"6-(Pyridin-4-yl)imidazo[2,1-b]thiazole","","","","","","","","","","","","","","","","","","","","6793AC","","C1=CN=CC=C1C2=CN3C=CSC3=N2","NLBFMECAIAFASS-UHFFFAOYSA-N","369508",NA,"PDBC27855","641288","Present"
-"6-(Tert-butoxycarbonylamino)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid","","CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35","XVPMCOPXSGWHBE-UHFFFAOYSA-N","383837",NA,"PDBC27856","672453","Present"
-"6-(Tetrahydro-2H-pyran-2-yloxy)-2-heptynoic acid","","","","","","","","","","","","","","","","","","","","6-(Tetrahydro-2H-pyran-2-yloxy)-2-heptynoic acid","","CC(CCC#CC(=O)O)OC1CCCCO1","FPHLQDZWQSLPMK-UHFFFAOYSA-N","381429",NA,"PDBC27857","668017","Present"
-"6-(Trifluoromethyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinoxalin-3-imine","","","","","","","","","","","","","","","","","","","","6-(Trifluoromethyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinoxalin-3-imine","","C1=CC2=NC3=NNC(=C3N=C2C=C1C(F)(F)F)N","CBFUQPWHDSKCMB-UHFFFAOYSA-N","394342",NA,"PDBC27858","697711","Present"
-"6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)amino]quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)amino]quinoxaline-2-carboxylic acid","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","FEBSVSFPRPFEKI-UHFFFAOYSA-N","387134",NA,"PDBC27859","680550","Present"
-"6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid","","COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","SFXDEUHOPIPJQQ-UHFFFAOYSA-N","390816",NA,"PDBC27860","688818","Present"
-"6-(Trifluoromethyl)-3-[(3,4-dichlorophenyl)amino]quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(3,4-Dichlorophenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","C1=CC2=C(C=C1C(F)(F)F)N=C(C(=N2)C(=O)O)NC3=CC(=C(C=C3)Cl)Cl","CCKNNWKBXVKHLZ-UHFFFAOYSA-N","386961",NA,"PDBC27861","680188","Present"
-"6-(Trifluoromethyl)-3-[(3,4-dimethoxyphenyl)amino]quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(3,4-Dimethoxyphenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","COC1=C(C=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)OC","UBDOSWJUPUOBME-UHFFFAOYSA-N","387136",NA,"PDBC27862","680552","Present"
-"6-(Trifluoromethyl)-3-[(4-fluorophenyl)amino]quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(4-Fluorophenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid","","C1=CC(=CC=C1NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)F","WGMQTIOOEZYVLD-UHFFFAOYSA-N","386963",NA,"PDBC27863","680190","Present"
-"6-(Trifluoromethyl)-3-[(4-fluorophenyl)amino]quinoxaline-2-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(4-fluorophenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)F","HEMKXAZIEVSYED-UHFFFAOYSA-N","388003",NA,"PDBC27864","682366","Present"
-"6-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","6-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","COC1=CC(=CC(=C1OC)OC)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","LNDLETDVHBPYRV-UHFFFAOYSA-N","367573",NA,"PDBC27865","637406","Present"
-"6-(chloroethylureidoethyl)diquino-1,4-thiazine","","","","","","","","","","","","","","","","","","","","6-(chloroethylureidoethyl)diquino-1,4-thiazine","","C1=CC=C2C(=C1)C=C3C(=N2)N(C4=NC5=CC=CC=C5C=C4S3)CCNC(=O)NCCCl","UHFHGUCGIVHXGO-UHFFFAOYSA-N","24858160",NA,"PDBC27866","744659","Present"
-"6-(hydroxymethyl)tetrahydropterin","","","","","","","","","","","","","","","","","","","","6-(hydroxymethyl)tetrahydropterin","","C1C(NC2=C(N1)N=C(NC2=O)N)CO.Cl","CHXHYPIZJNVGPD-UHFFFAOYSA-N","135510088",NA,"PDBC27867","626091","Present"
-"6-(m-Tolyl)-3-(o-tolyl)-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione","","","","","","","","","","","","","","","","","","","","6-(m-Tolyl)-3-(o-tolyl)-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione","","CC1=CC(=CC=C1)N2C(=O)C3=C(NC2=S)N(C(=O)S3)C4=CC=CC=C4C","IQAQNOZYBSNCOX-UHFFFAOYSA-N","3004158",NA,"PDBC27868","633185","Present"
-"6-(p-Bromophenylazo)coumarin-3-carboxy-m-chloroanilide","","","","","","","","","","","","","","","","","","","","6-(p-Bromophenylazo)coumarin-3-carboxy-m-chloroanilide","","C1=CC(=CC(=C1)Cl)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)Br)OC2=O","YMIZLEMFGXBZKS-UHFFFAOYSA-N","364224",NA,"PDBC27869","630075","Present"
-"6-(p-Bromophenylazo)coumarin-3-carboxy-p-toluidide","","","","","","","","","","","","","","","","","","","","6-(p-Bromophenylazo)coumarin-3-carboxy-p-toluidide","","CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)Br)OC2=O","RLHKHHIVHCWZLE-UHFFFAOYSA-N","364223",NA,"PDBC27870","630074","Present"
-"6-(p-Toluenesulfonylaminoethyl)diquino-1,4-thiazine","","","","","","","","","","","","","","","","","","","","6-(p-toluenesulfonylaminoethyl)diquino-1,4-thiazine","","CC1=CC=C(C=C1)S(=O)(=O)NCCN2C3=NC4=CC=CC=C4C=C3SC5=CC6=CC=CC=C6N=C52","HMIROELUYZRDFH-UHFFFAOYSA-N","24858161",NA,"PDBC27871","744658","Present"
-"6-(p-acetamidobenzylamino)uracil","","","","","","","","","","","","","","","","","","","","6-(p-acetamidobenzylamino)uracil","","CC(=O)NC1=CC=C(C=C1)CNC2=CC(=O)NC(=O)N2","HHKVUJXCQMODKK-UHFFFAOYSA-N","385856",NA,"PDBC27872","677255","Present"
-"6-(p-aminoanilino) uracil","","","","","","","","","","","","","","","","","","","","6-(p-aminoanilino) uracil","","C1=CC(=CC=C1N)NC2=CC(=O)NC(=O)N2","BNPLPIINVNQKFK-UHFFFAOYSA-N","385887",NA,"PDBC27873","677288","Present"
-"6-Acetamidobenzo-1,2,4-triazine","","","","","","","","","","","","","","","","","","","","6-Acetamidobenzo-1,2,4-triazine","","CC(=O)NC1=CC2=C(C=C1)N=NC=N2","QNXCSXKUUHKCKH-UHFFFAOYSA-N","360899",NA,"PDBC27874","623608","Present"
-"6-Acetoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one","","","","","","","","","","","","","","","","","","","","8-Methyl-3-oxo-8-azabicyclo[3.2.1]oct-6-yl acetate","","CC(=O)OC1CC2CC(=O)CC1N2C","KGAJUIASUVGIAG-UHFFFAOYSA-N","380737",NA,"PDBC27875","666444","Present"
-"6-Acetoxymethyl-2-oxo-2H-1-benzopyran-3-carboxylic acid phenyl ester","","","","","","","","","","","","","","","","","","","","Phenyl 6-[(acetyloxy)methyl]-2-oxo-2h-chromene-3-carboxylate","","CC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC=CC=C3","WTTXBVUJHOKMQZ-UHFFFAOYSA-N","402509",NA,"PDBC27876","716536","Present"
-"6-Acetyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one","","","","","","","","","","","","","","","","","","","","6-Acetyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one","","CC(=O)N1CN2C(CCC2=O)C3=CC=CC=C31","YNYVLIDIBWYRMS-UHFFFAOYSA-N","389190",NA,"PDBC27877","684874","Present"
-"6-Acetyl-1,5-dimethyl-3-oxo-7-phenyl-2-oxabicyclo[3.2.0]heptane-4-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Acetyl-1,5-dimethyl-3-oxo-7-phenyl-2-oxabicyclo[3.2.0]heptane-4-carbonitrile","","CC(=O)C1C(C2(C1(C(C(=O)O2)C#N)C)C)C3=CC=CC=C3","CLGNSQRSVORXGC-UHFFFAOYSA-N","362315",NA,"PDBC27878","625951","Present"
-"6-Acetyl-1,6a-dimethyl-2-phenyl-1,6a-dihydropyrrolo[3,2-c]pyrazol-3(2H)-one","","","","","","","","","","","","","","","","","","","","6-Acetyl-1,6a-dimethyl-2-phenyl-1,6a-dihydropyrrolo[3,2-c]pyrazol-3(2H)-one","","CC(=O)C1=CN=C2C1(N(N(C2=O)C3=CC=CC=C3)C)C","GGANKQWNJSQFLS-UHFFFAOYSA-N","390258",NA,"PDBC27879","687550","Present"
-"6-Acetyl-1-methyl-2(1H)-quinolinone","","","","","","","","","","","","","","","","","","","","6-Acetyl-1-methyl-2(1H)-quinolinone","","CC(=O)C1=CC2=C(C=C1)N(C(=O)C=C2)C","IZFCZFXYGUZTEU-UHFFFAOYSA-N","370175",NA,"PDBC27880","642919","Present"
-"6-Acetyl-3-(2-dimethylaminoethyl)-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","6-Acetyl-3-(2-dimethylaminoethyl)-1,3-benzoxazol-2-one","","CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCN(C)C","XMIMZNUTJWHFMT-UHFFFAOYSA-N","391456",NA,"PDBC27881","690660","Present"
-"6-Acetyl-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","6-Acetyl-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one","","CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCN3CCCCC3","CWYHKKKPGVPDLX-UHFFFAOYSA-N","391459",NA,"PDBC27882","690664","Present"
-"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2,4-dichlorobenzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2,4-dichloro-, 6-acetyl-1,2,3,4-tetrahydro...","","CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl","MSLAPUVHAQOMIR-UHFFFAOYSA-N","383092",NA,"PDBC27883","671136","Present"
-"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate","","","","","","","","","","","","","","","","","","","","6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate","","CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CO5","CATFQSLDJQMAHG-UHFFFAOYSA-N","383094",NA,"PDBC27884","671138","Present"
-"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-thiophenecarboxylate","","","","","","","","","","","","","","","","","","","","(6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) thiophene-2-carboxylate","","CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CS5","MNHVDDXXLJPKJY-UHFFFAOYSA-N","383095",NA,"PDBC27885","671139","Present"
-"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 3,4,5-trimethoxybenzoate","","","","","","","","","","","","","","","","","","","","(6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate","","CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC","BUVBZSKYBAXWIN-UHFFFAOYSA-N","383093",NA,"PDBC27886","671137","Present"
-"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate","","","","","","","","","","","","","","","","","","","","6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate","","CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5","USYGJPYRCPTZKE-UHFFFAOYSA-N","383090",NA,"PDBC27887","671134","Present"
-"6-Acetyl-7,10-dimethoxy-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one","","","","","","","","","","","","","","","","","","","","6-Acetyl-7,10-dimethoxy-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one","","CC(=O)N1CN2C(CCC2=O)C3=C(C=CC(=C31)OC)OC","KKWJEQOVRWMXQG-UHFFFAOYSA-N","389191",NA,"PDBC27888","684875","Present"
-"6-Acetyl-8-methoxy-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one","","","","","","","","","","","","","","","","","","","","6-Acetyl-8-methoxy-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one","","CC(=O)N1CN2C(CCC2=O)C3=C1C=C(C=C3)OC","MMSYMCFYHPQGJI-UHFFFAOYSA-N","389192",NA,"PDBC27889","684876","Present"
-"6-Acetyl-9-methyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one","","","","","","","","","","","","","","","","","","","","6-Acetyl-9-methyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one","","CC1=CC2=C(C=C1)N(CN3C2CCC3=O)C(=O)C","OXTZCDNKGRINEB-UHFFFAOYSA-N","389193",NA,"PDBC27890","684877","Present"
-"6-Admpb","","","","","","","","","","","","","","","","","","","","6-Admpb","","CC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC","NCWRHYSPTPPIQP-UHFFFAOYSA-N","1784",NA,"PDBC27891","661180","Present"
-"6-Alkoxy-4-anilinoquinazoline 8b","","","","","","","","","","","","","","","","","","","","GW680191X","","CS(=O)(=O)CCNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C","WLLKPDBSPXZCTG-UHFFFAOYSA-N","5329489",NA,"PDBC27892","756306","Present"
-"6-Allyl-4-acetoxy-3',4',8-trimethoxyflavan","","","","","","","","","","","","","","","","","","","","6-Allyl-4-acetoxy-3',4',8-trimethoxy flavan","","CC(=O)OC1CC(OC2=C1C=C(C=C2OC)CC=C)C3=CC(=C(C=C3)OC)OC","JHMHABZXTWTAND-UHFFFAOYSA-N","369616",NA,"PDBC27893","641527","Present"
-"6-Allyl-4-hydroxy-3',4',8-trimethoxyflavan","","","","","","","","","","","","","","","","","","","","6-Allyl-4-hydroxy-3',4',8-trimethoxy flavan","","COC1=C(C=C(C=C1)C2CC(C3=C(O2)C(=CC(=C3)CC=C)OC)O)OC","GJEVPMOJBYGEEQ-UHFFFAOYSA-N","369609",NA,"PDBC27894","641519","Present"
-"6-Allyl-4-methoxy-3',4',8-trimethoxyflavan","","","","","","","","","","","","","","","","","","","","6-Allyl-4-methoxy-3',4',8-trimethoxy flavan","","COC1CC(OC2=C1C=C(C=C2OC)CC=C)C3=CC(=C(C=C3)OC)OC","FDEXWXVTMQWPDU-UHFFFAOYSA-N","369612",NA,"PDBC27895","641523","Present"
-"6-Allyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione","","","","","","","","","","","","","","","","","","","","6-Allyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione","","C=CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","LKYGYLCYRUQUNK-UHFFFAOYSA-N","334476",NA,"PDBC27896","339707","Present"
-"6-Allyl-9-phenyl-1,6,9a-triaza-9aH-benzo[cd]azulene-7(6H)-one","","","","","","","","","","","","","","","","","","","","12-Phenyl-9-prop-2-enyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,11-pentaen-10-one","","C=CCN1C2=CC=CC3=C2N(C(=CC1=O)C4=CC=CC=C4)N=C3","GLICCEHWVDLZHV-UHFFFAOYSA-N","398156",NA,"PDBC27897","707688","Present"
-"6-Amino-1,3-dibenzyl-2-iminopyrimidin-4-one","","","","","","","","","","","","","","","","","","","","(2z)-6-Amino-1,3-dibenzyl-2-imino-2,3-dihydropyrimidin-4(1h)-one","","C1=CC=C(C=C1)CN2C(=CC(=O)N(C2=N)CC3=CC=CC=C3)N","XXTTYBFAMDJSTQ-UHFFFAOYSA-N","250781",NA,"PDBC27898","70555","Present"
-"6-Amino-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one","","","","","","","","","","","","","","","","","","","","6-Amino-1,3-diphenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one","","C1=CC=C(C=C1)N2C(=CC(=O)N(C2=S)C3=CC=CC=C3)N","SPUQKIUIHPLVFW-UHFFFAOYSA-N","371174",NA,"PDBC27899","645206","Present"
-"6-Amino-1,6-dihydro-4H-cyclopenta[c]thiophe n-4-one hydrochloride","","","","","","","","","","","","","","","","","","","","6-amino-1,3-di-2-thienyl-5,6-dihydro-4H-cyclopenta[c]thi...","","C1C(C2=C(SC(=C2C1=O)C3=CC=CS3)C4=CC=CS4)N.Cl","NVJXXACQLRHUQC-UHFFFAOYSA-N","24205943",NA,"PDBC27900","737375","Present"
-"6-Amino-1-(4-chlorophenyl)-4-morpholino-pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","6-Amino-1-(4-chlorophenyl)-4-morpholino-pyrimidin-2-one","","C1COCCN1C2=NC(=O)N(C(=C2)N)C3=CC=C(C=C3)Cl","XSFRRUUGOKUGDQ-UHFFFAOYSA-N","395692",NA,"PDBC27901","700476","Present"
-"6-Amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide","","","","","","","","","","","","","","","","","","","","6-Amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide","","CCCCN(CCCC)C1=NC2=CC=CC=C2C(=C1)C(=O)CCCCCN.Br","KBOQHDZVPWDUKU-UHFFFAOYSA-N","54611938",NA,"PDBC27902","25687","Present"
-"6-Amino-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5H-triazolo[4,5-c]pyridin-4-one","","","","","","","","","","","","","","","","","","","","6-Amino-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5H-triazolo[4,5-c]pyridin-4-one","","C1=CC=C(C=C1)COCC2C(C(C(O2)N3C4=C(C(=O)NC(=C4)N)N=N3)OCC5=CC=CC=C5)OCC6=CC=CC=C6","UMGLHFOTFBHCSA-UHFFFAOYSA-N","135426767",NA,"PDBC27903","717101","Present"
-"6-Amino-1-benzyl-4-(1-pyrrolidinyl)-2(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","6-Amino-1-benzyl-4-(1-pyrrolidinyl)-2(1H)-pyrimidinone","","C1CCN(C1)C2=NC(=O)N(C(=C2)N)CC3=CC=CC=C3","IADMEIRLZDRXQB-UHFFFAOYSA-N","386643",NA,"PDBC27904","679100","Present"
-"6-Amino-1-chloro-4-methyl-9H-thioxanthen-9-one","","","","","","","","","","","","","","","","","","","","6-Amino-1-chloro-4-methyl-9H-thioxanthen-9-one","","CC1=C2C(=C(C=C1)Cl)C(=O)C3=C(S2)C=C(C=C3)N","BULFJEMLUBIIJI-UHFFFAOYSA-N","391249",NA,"PDBC27905","690146","Present"
-"6-Amino-1-phenyl-4-pyrrolidin-1-ylpyrimidin-2-one","","","","","","","","","","","","","","","","","","","","6-Amino-1-phenyl-4-(pyrrolidin-1-yl)pyrimidin-2(1h)-one","","C1CCN(C1)C2=NC(=O)N(C(=C2)N)C3=CC=CC=C3","MDLBRNIACYHTRP-UHFFFAOYSA-N","386642",NA,"PDBC27906","679099","Present"
-"6-Amino-13-(4-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6-Amino-13-(4-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile","","C1=CC(=CC=C1C2=C(C(=O)NC3=NN4C(=C(N=NC4=C23)C#N)N)C#N)Cl","NTJFZBYVIMRRHR-UHFFFAOYSA-N","135426591",NA,"PDBC27907","701022","Present"
-"6-Amino-2-((2-hydroxyethyl)(methyl)amino)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","6-Amino-2-((2-hydroxyethyl)(methyl)amino)-4-pyrimidinol","","CN(CCO)C1=NC(=CC(=O)N1)N","OHTCZUMRAMZRFE-UHFFFAOYSA-N","135408994",NA,"PDBC27908","652578","Present"
-"6-Amino-2-((4-butylphenyl)amino)-9H-purine","","","","","","","","","","","","","","","","","","","","LS-126469","","CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N=CN3)N","JSFFGFGRNFFOGA-UHFFFAOYSA-N","127307",NA,"PDBC27909","685806","Present"
-"6-Amino-2-((6-amino-4-hydroxy-3,4,5,6-tetrahydro-2-pyridinyl)thio)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","6-Amino-2-((6-amino-4-hydroxy-3,4,5,6-tetrahydro-2-pyridinyl)thio)-4-pyrimidinol","","C1C(CC(=NC1N)SC2=NC(=CC(=O)N2)N)O","DWTKYFQMQZOWQM-UHFFFAOYSA-N","135429962",NA,"PDBC27910","627519","Present"
-"6-Amino-2-(3-chlorophenyl)quinolin-4(1H)-one","","","","","","","","","","","","","","","","","","","","6-Amino-2-(3-chlorophenyl)quinolin-4-ol","","C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(N2)C=CC(=C3)N","KZBZGOGDWGDLMZ-UHFFFAOYSA-N","377397",NA,"PDBC27911","658840","Present"
-"6-Amino-2-(3-methoxyphenyl)quinolin-4(1H)-one","","","","","","","","","","","","","","","","","","","","6-Amino-2-(3-methoxyphenyl)quinolin-4-ol","","COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N","KAMPMGHHVYJNFF-UHFFFAOYSA-N","377396",NA,"PDBC27912","658839","Present"
-"6-Amino-2-[(4-methylphenyl)sulfonylcarbamoylamino]hexanoic acid","","","","","","","","","","","","","","","","","","","","6-Amino-2-(p-tolylsulfonylcarbamoylamino)hexanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCCCN)C(=O)O","DAXFXAQTQMWQRH-UHFFFAOYSA-N","396492",NA,"PDBC27913","702676","Present"
-"6-Amino-2-[3-(trifluoromethyl)phenyl]quinolin-4-ol","","","","","","","","","","","","","","","","","","","","6-Amino-2-[3-(trifluoromethyl)phenyl]quinolin-4-ol","","C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=O)C3=C(N2)C=CC(=C3)N","ASAPATXEZLAULW-UHFFFAOYSA-N","378308",NA,"PDBC27914","660312","Present"
-"6-Amino-2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","6-Amino-2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)O","RQBPSQWJWHWRIH-UHFFFAOYSA-N","381800",NA,"PDBC27915","668878","Present"
-"6-Amino-2-[[2-amino-3-(5-hydroxy-2-pyridyl)propanoyl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","6-Amino-2-[[2-amino-3-(5-hydroxy-2-pyridyl)propanoyl]amino]hexanoic acid","","C1=CC(=NC=C1O)CC(C(=O)NC(CCCCN)C(=O)O)N","FUVRDGOCEMYJJJ-UHFFFAOYSA-N","385345",NA,"PDBC27916","676463","Present"
-"6-Amino-2-mercapto-5-phenyl-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","6-Amino-2-mercapto-5-phenyl-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide","","C1=CC=C(C=C1)C2=C(NC(=S)N=C2N)C(=O)NC3=NC=CS3","PTYLERCAUFDJHZ-UHFFFAOYSA-N","3004118",NA,"PDBC27917","630288","Present"
-"6-Amino-2-mercapto-N,5-bis(2-methylphenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","6-Amino-2-mercapto-N,5-bis(2-methylphenyl)-4-pyrimidinecarboxamide","","CC1=CC=CC=C1C2=C(NC(=S)N=C2N)C(=O)NC3=CC=CC=C3C","PRVJTEBVNBFCRL-UHFFFAOYSA-N","3004145",NA,"PDBC27918","631851","Present"
-"6-Amino-2-methyl-5-(1-piperazinyl)-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","6-Amino-2-methyl-5-(1-piperazinyl)-4-pyrimidinol","","CC1=NC(=C(C(=O)N1)N2CCNCC2)N","BMSARQMIZSIXLI-UHFFFAOYSA-N","135406383",NA,"PDBC27919","673108","Present"
-"6-Amino-2-methyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","6-Amino-2-methyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol","","CC1=NC(=C(C(=O)N1)N2CCN(CC2)[N+](=O)[O-])N","STAVTTWTUCEAMZ-UHFFFAOYSA-N","135470069",NA,"PDBC27920","673116","Present"
-"6-Amino-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Amino-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid","","C1=C(NC(=O)N=C1N)C(=O)O","PDTPNIBJXVWGOE-UHFFFAOYSA-N","241841",NA,"PDBC27921","49714","Present"
-"6-Amino-2-piperdine-1-yl-3H,4'-pyridi ne)-3',5'-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6- Amino-2-piperdine-1-yl-3H,3'H-spiro(benzothiazol-2,4'...","","C1CCN(CC1)C2=NC(=C(C3(C2C#N)NC4=CC=CC=C4S3)C#N)N","WTFJKUOGCYDHNJ-UHFFFAOYSA-N","24203809",NA,"PDBC27922","729614","Present"
-"6-Amino-2-thioxo trimethylene[c]thiopyrano[2,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Amino-2-thioxo trimethylene[c]thiopyrano[2,3-d]pyrimidine","","C1CC2=C(C1)C(=S)SC3=NC=NC(=C23)N","XFXSHDSPYNDXPQ-UHFFFAOYSA-N","5473085",NA,"PDBC27923","723637","Present"
-"6-Amino-3-chloromethyl-1-((5-(((benzofuran-2-yl)-carbonyl)amino)indol-2-ylcarbonyl)indoline","","","","","","","","","","","","","","","","","","","","6-Amino-3-chloromethyl-1-((5-(((benzofuran-2-yl)-carbony...","","C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C=C2)N)CCl","DEBRBJYFWAWRNH-UHFFFAOYSA-N","394235",NA,"PDBC27924","697539","Present"
-"6-Amino-3-imino-4-mercapto-N-phenyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide","","","","","","","","","","","","","","","","","","","","6-Amino-3-imino-4-mercapto-N-phenyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide","","C1=CC=C(C=C1)NC(=O)C2=C(NC(=S)C3=C2NN=C3N)N","YVBSMVBBSHVSDF-UHFFFAOYSA-N","135422757",NA,"PDBC27925","692009","Present"
-"6-Amino-3-imino-5-(4-methylphenyl)-4-oxo-2,3,4,5-tetrahydro-1H-pyrazolo[4,3-c]pyridine-7-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Amino-3-imino-4-oxo-5-(p-tolyl)-1,2-dihydropyrazolo[4,3-c]pyridine-7-carbonitrile","","CC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C(=NN3)N)C#N)N","WRCQTYRQPVWZCA-UHFFFAOYSA-N","392165",NA,"PDBC27926","692045","Present"
-"6-Amino-3-methyl-5-nitroso-4(3H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","6-Amino-3-methyl-5-nitroso-4(3H)-pyrimidinone","","CN1C=NC(=C(C1=O)N=O)N","RPGCFSCLHOODSU-UHFFFAOYSA-N","378839",NA,"PDBC27927","662156","Present"
-"6-Amino-4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","","","","","","","","","","","","","","","","","","","","6-amino-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2...","","CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC","VBZJCCSKBXQPGX-UHFFFAOYSA-N","600446",NA,"PDBC27928","737798","Present"
-"6-Amino-4-(3-chlorophenyl)-2-thioxo-1,2-dihydro-3,5-pyridinedicarbonitrile","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile","","C1=CC(=CC(=C1)Cl)C2=C(C(=S)NC(=C2C#N)N)C#N","RCBLMWWXZLYFGM-UHFFFAOYSA-N","794577",NA,"PDBC27929","712235","Present"
-"6-Amino-4-(4-chlorophenyl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Amino-4-(4-chlorophenyl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile","","CC1=CC2=C(C=C1C)N=C(N2)C3=C(C(=CN=C3N)C#N)C4=CC=C(C=C4)Cl","UKWSZFZBKUECHR-UHFFFAOYSA-N","54576527",NA,"PDBC27930","752307","Present"
-"6-Amino-4-(4-methylphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6-Amino-4-(4-methylphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile","","CC1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N","IWLCKOYPEPDLBD-UHFFFAOYSA-N","4153427",NA,"PDBC27931","712234","Present"
-"6-Amino-4-(5-(4-(benzo[d]oxazol-2-yl)phenyl)thiophen-2-yl)-1,3,4-tetrahydro-2-thioxopyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Amino-4-(5-(4-(benzo[d]oxazol-2-yl)phenyl)thiophen-2-y...","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(S4)C5C(=C(NC(=S)N5)N)C#N","BQPDMSWZTQIZTM-UHFFFAOYSA-N","24203996",NA,"PDBC27932","730317","Present"
-"6-Amino-4-(5-(4-(benzo[d]thiazol-2-yl)phenyl)furan-2-yl)-1,3,4-tetrahydro-2-thioxopyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Amino-4-(5-(4-(benzo[d]thiazol-2-yl)phenyl)furan-2-yl)...","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(O4)C5C(=C(NC(=S)N5)N)C#N","GFQYQTGLQDQKDY-UHFFFAOYSA-N","24203997",NA,"PDBC27933","730318","Present"
-"6-Amino-4-morpholino-1-phenyl-pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","6-Amino-4-morpholino-1-phenyl-pyrimidin-2-one","","C1COCCN1C2=NC(=O)N(C(=C2)N)C3=CC=CC=C3","LIAWRHHTBKXCMW-UHFFFAOYSA-N","395693",NA,"PDBC27934","700477","Present"
-"6-Amino-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-Amino-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquin...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)N","LNAMGLIEPZUMDS-UHFFFAOYSA-N","16221146",NA,"PDBC27935","737776","Present"
-"6-Amino-5,6-dihydrocyclopenta[c]thiophen-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","6-Amino-5,6-dihydrocyclopenta[c]thiophen-4-one hydrochloride","","C1C(C2=CSC=C2C1=O)N.Cl","ZTOOYUNAZBRXAL-UHFFFAOYSA-N","396928",NA,"PDBC27936","704113","Present"
-"6-Amino-5,8-dimethyl-9H-carbazol-3-ol","","","","","","","","","","","","","","","","","","","","CCRIS 8648","","CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)O)C)N","ATEYWSRWQMDQJD-UHFFFAOYSA-N","148155",NA,"PDBC27937","652570","Present"
-"6-Amino-5,8-dimethyl-9H-carbazol-3-yl ethyl carbonate","","","","","","","","","","","","","","","","","","","","6-Amino-5,8-dimethyl-9H-carbazol-3-yl ethyl carbonate","","CCOC(=O)OC1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)N)C","RRVZCEZDWWGADN-UHFFFAOYSA-N","374603",NA,"PDBC27938","652571","Present"
-"6-Amino-5-(2-diethylaminoethyl)-7-(1-methyl-1H-benzo[d]imida zol-2-yl)-5H-pyrrolo[2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6-amino-5-(2-diethylaminoethyl)-7-(1-methyl-1H-benzo[d]i...","","CCN(CC)CCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC4=CC=CC=C4N3C)N","KNYYSUUZGFTGSY-UHFFFAOYSA-N","1179227",NA,"PDBC27939","730034","Present"
-"6-Amino-5-(3-chlorobenzyl)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-Amino-5-(3-chlorobenzyl)-2,4-pyrimidinediol","","C1=CC(=CC(=C1)Cl)CC2=C(NC(=O)NC2=O)N","ZTDMRDXCPKZDRK-UHFFFAOYSA-N","388632",NA,"PDBC27940","683644","Present"
-"6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol","","CC1=NC(=C(C(=O)N1)N2CCN(CC2)CN)N","RZKWDPGBCLTDDG-UHFFFAOYSA-N","135450418",NA,"PDBC27941","673113","Present"
-"6-Amino-5-(4-benzyl-1-piperazinyl)-2-methyl-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","6-Amino-5-(4-benzyl-1-piperazinyl)-2-methyl-4-pyrimidinol","","CC1=NC(=C(C(=O)N1)N2CCN(CC2)CC3=CC=CC=C3)N","SOAJDORECBGYCN-UHFFFAOYSA-N","135489786",NA,"PDBC27942","673109","Present"
-"6-Amino-5-(4-chlorobenzyl)-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6-amino-5-(4-chlorobenzyl)-7-phenylsulfonyl-5H-pyrrolo[2...","","C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC(=C(N=C23)C#N)C#N)CC4=CC=C(C=C4)Cl)N","UEHAXFDZLXGLTA-UHFFFAOYSA-N","1426067",NA,"PDBC27943","730041","Present"
-"6-Amino-5-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-2-mercapto-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","6-Amino-5-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-2-mercapto-4-pyrimidinecarboxamide","","C1=CC(=CC=C1C2=C(NC(=S)N=C2N)C(=O)NC3=CC(=C(C=C3)Cl)Cl)Cl","LTTYZUGVBVLZBL-UHFFFAOYSA-N","3004120",NA,"PDBC27944","630294","Present"
-"6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol","","","","","","","","","","","","","","","","","","","","6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol","","CC1=NC(=C(C(=O)N1)N2CCN(CC2)C#N)N","FSYADPJPWSPUSD-UHFFFAOYSA-N","135444495",NA,"PDBC27945","673110","Present"
-"6-Amino-5-(4-fluorobenzyl)-7-(1-methyl-1H-benzo[d]imidazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6-amino-5-(4-fluorobenzyl)-7-(1-methyl-1H-benzo[d]imidaz...","","CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC5=CC=C(C=C5)F)N","GZRSMRFJRAULFS-UHFFFAOYSA-N","1179229",NA,"PDBC27946","730035","Present"
-"6-Amino-5-(4-methoxybenzyl)-2,4-pyrimidinediol","","","","","","","","","","","","","","","","","","","","6-Amino-5-(4-methoxybenzyl)-2,4-pyrimidinediol","","COC1=CC=C(C=C1)CC2=C(NC(=O)NC2=O)N","JKIJOLSHTVQRPO-UHFFFAOYSA-N","388637",NA,"PDBC27947","683649","Present"
-"6-Amino-5-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Amino-5-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile","","CC1=CC2=C(C=C1C)N=C(N2)C3=C(C(=CN=C3N)C#N)C4=CC=C(C=C4)OC","UPAXUHDNVVDPIA-UHFFFAOYSA-N","54576528",NA,"PDBC27948","752308","Present"
-"6-Amino-5-[(3-chlorophenyl)amino]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6-amino-5-(3-chloroanilino)-7-(1-methyl-1H-benzo[d]imida...","","CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)NC5=CC(=CC=C5)Cl)N","HTZYYVZFVMGFDP-UHFFFAOYSA-N","1179233",NA,"PDBC27949","730038","Present"
-"6-Amino-5-[(4-chlorophenyl)methyl]-1-methyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Amino-5-[(4-chlorophenyl)methyl]-1-methyl-pyrimidine-2,4-dione","","CN1C(=C(C(=O)NC1=O)CC2=CC=C(C=C2)Cl)N","CTPHAFGMNUKEQS-UHFFFAOYSA-N","387682",NA,"PDBC27950","681708","Present"
-"6-Amino-5-[(4-chlorophenyl)methyl]-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b] pyrazine-2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6-amino-5-(4-chlorobenzyl)-7-(1-methyl-1H-benzo[d]imidaz...","","CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC5=CC=C(C=C5)Cl)N","YHTIVQTYBRBYCK-UHFFFAOYSA-N","1179230",NA,"PDBC27951","730036","Present"
-"6-Amino-5-[(4-methoxyphenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Amino-5-[(4-methoxyphenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione","","CN1C(=O)C(=C(NC1=O)N)CC2=CC=C(C=C2)OC","HBYQWINTEWDENS-UHFFFAOYSA-N","388631",NA,"PDBC27952","683643","Present"
-"6-Amino-5-[5-(dimethylamino)tetrazol-1-yl]-1,3-dimethylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Amino-5-[5-(dimethylamino)-1H-tetrazol-1-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione","","CN1C(=C(C(=O)N(C1=O)C)N2C(=NN=N2)N(C)C)N","JHRJLDZOJRFSNS-UHFFFAOYSA-N","370132",NA,"PDBC27953","642722","Present"
-"6-Amino-5-chloroacetyl-2-methoxy-3-methylpyrimidin-4(3H)-one","","","","","","","","","","","","","","","","","","","","6-Amino-5-(chloroacetyl)-2-methoxy-3-methylpyrimidin-4(3H)-one","","CN1C(=O)C(=C(N=C1OC)N)C(=O)CCl","ONBMOHBVZQMOFB-UHFFFAOYSA-N","360600",NA,"PDBC27954","622775","Present"
-"6-Amino-7-(4-chlorophenylsulfonyl)-5-(4-methoxybenzyl)-5H-py rrolo[2,3-dicarbonitrile","","","","","","","","","","","","","","","","","","","","6-amino-7-(4-chlorophenylsulfonyl)-5-(4-methoxybenzyl)-5...","","COC1=CC=C(C=C1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)N","HTJVMRFLWBUXTM-UHFFFAOYSA-N","1640083",NA,"PDBC27955","730045","Present"
-"6-Amino-7-bromo-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","5,8-Quinolinedione, 6-amino-7-bromo-","","C1=CC2=C(C(=O)C(=C(C2=O)N)Br)N=C1","XZBBOHUCBTXJQY-UHFFFAOYSA-N","266923",NA,"PDBC27956","105808","Present"
-"6-Amino-8,9-dimethoxyisoindolo[2,1-a]quinoxalin-3-ol","","","","","","","","","","","","","","","","","","","","3-hydroxy-8,9-dimethoxy-isoindolo[2,1a]quinoxalin-6-(5H)...","","COC1=CC2=CN3C4=C(C=C(C=C4)O)N=C(C3=C2C=C1OC)N","HBWFREGIYNIAPX-UHFFFAOYSA-N","118734075",NA,"PDBC27957","760289","Present"
-"6-Amino-9-(propargyloxymethyl)purine","","","","","","","","","","","","","","","","","","","","6-Amino-9-(propargyloxymethyl)purine","","C#CCOCN1C=NC2=C(N=CN=C21)N","OOONYYIOODBIQY-UHFFFAOYSA-N","365492",NA,"PDBC27958","633126","Present"
-"6-Amino-9-D-psicofuranosylpurine","","","","","","","","","","","","","","","","","","","","angustmycin c","","C1=NC(=C2C(=N1)N(C=N2)C3(C(C(C(O3)CO)O)O)CO)N","BNZYRKVSCLSXSJ-UHFFFAOYSA-N","237254",NA,"PDBC27959","53104","Present"
-"6-Amino-9-butyl-7H-purin-8-one","","","","","","","","","","","","","","","","","","","","6-Amino-9-butyl-7H-purin-8-one","","CCCCN1C2=NC=NC(=C2NC1=O)N","IXCGAPZSWYHFCY-UHFFFAOYSA-N","381115",NA,"PDBC27960","667377","Present"
-"6-Amino-9-phenyl-7H-purin-8-one","","","","","","","","","","","","","","","","","","","","6-Amino-9-phenyl-7H-purin-8-one","","C1=CC=C(C=C1)N2C3=NC=NC(=C3NC2=O)N","NGUOEGOTXKJOGN-UHFFFAOYSA-N","381528",NA,"PDBC27961","668292","Present"
-"6-Amino-N-(3,4-dichlorophenyl)-5-(2-methylphenyl)-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","4-Amino-N-(3,4-dichlorophenyl)-5-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxamide","","CC1=CC=CC=C1C2=C(NC(=S)NC2N)C(=O)NC3=CC(=C(C=C3)Cl)Cl","RRAHLJDNONCTMR-UHFFFAOYSA-N","3004051",NA,"PDBC27962","624463","Present"
-"6-Amino-N-(3,4-dimethylphenyl)-2-mercapto-5-(2-methylphenyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","6-Amino-N-(3,4-dimethylphenyl)-2-mercapto-5-(2-methylphenyl)-4-pyrimidinecarboxamide","","CC1=C(C=C(C=C1)NC(=O)C2=C(C(=NC(=S)N2)N)C3=CC=CC=C3C)C","GAARGUPBXRHTHS-UHFFFAOYSA-N","3004052",NA,"PDBC27963","624467","Present"
-"6-Amino-N-(4-chlorophenyl)-3-imino-4-mercapto-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide","","","","","","","","","","","","","","","","","","","","6-Amino-N-(4-chlorophenyl)-3-imino-4-mercapto-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide","","C1=CC(=CC=C1NC(=O)C2=C(NC(=S)C3=C2NN=C3N)N)Cl","DPJSVYOFNGIODT-UHFFFAOYSA-N","135489893",NA,"PDBC27964","692007","Present"
-"6-Amino-N-pyridin-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(pyridin-2-yl)-6,7,8,9-tetrahydro-5H-cyclohept...","","C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC=N4","CZLZVQFTTGXIRY-UHFFFAOYSA-N","24135362",NA,"PDBC27965","796023","Present"
-"6-Amino-N-pyridin-2-yl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide","","","","","","","","","","","","","","","","","","","","3-amino-N-(pyridin-2-yl)-5,6,7,8,9,10-hexahydrocycloocta...","","C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=N4)N","PXZKPQKZNUPXMY-UHFFFAOYSA-N","24053470",NA,"PDBC27966","796024","Present"
-"6-Aminonicotinamide","","","","","","","","","","","","","","","","","","","","6-AMINONICOTINAMIDE","","C1=CC(=NC=C1C(=O)N)N","ZLWYEPMDOUQDBW-UHFFFAOYSA-N","9500",NA,"PDBC27967","21206","Present"
-"6-Angelylfuranofukinol","","","","","","","","","","","","","","","","","","","","NSC672987","","CC=C(C)C(=O)OC1C2=C(CC3C1(C(C(CC3)O)C)C)OC=C2C","QSXNOUPYXMWUKT-AHMRPIEISA-N","5468623",NA,"PDBC27968","672987","Present"
-"6-Anilino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","6-Anilino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1C(C2=C(SC(=C2C1=O)Cl)Cl)NC3=CC=CC=C3","ZPAAZSXHNMXTIS-UHFFFAOYSA-N","396939",NA,"PDBC27969","704121","Present"
-"6-Anilino-1,3-dimethyl-5-[(E)-phenyliminomethyl]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Anilino-1,3-dimethyl-5-[(E)-phenyliminomethyl]pyrimidine-2,4-dione","","CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2)NC3=CC=CC=C3","RATIBZWAMRLVSZ-UHFFFAOYSA-N","389794",NA,"PDBC27970","686398","Present"
-"6-Anilino-4,4-bis(trifluoromethyl)-4,5-dihydro-1,3,5-triazin-2(3H)-one","","","","","","","","","","","","","","","","","","","","6-Anilino-4,4-bis(trifluoromethyl)-4,5-dihydro-1,3,5-triazin-2(3H)-one","","C1=CC=C(C=C1)NC2=NC(NC(=O)N2)(C(F)(F)F)C(F)(F)F","UITMZDDRVBXHOH-UHFFFAOYSA-N","382492",NA,"PDBC27971","670098","Present"
-"6-Aryl-pyrazolo[3,4-b]pyridine analogue 13","","","","","","","","","","","","","","","","","","","","SB-725317","","C1CC1C(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=C(C=C4)O","VNVKSDCWJDOWNE-UHFFFAOYSA-N","135435011",NA,"PDBC27972","756468","Present"
-"6-Aryl-pyrazolo[3,4-b]pyridine analogue 23","","","","","","","","","","","","","","","","","","","","SB-732881///SB-732881-H","","CN1CCC(CC1)C(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=C(C=C4)O","BSHCILRNXWKQAL-UHFFFAOYSA-N","135435015",NA,"PDBC27973","756469///756470","Present"
-"6-Azauridine","","","","","","","","","","","","","","","","","","","6-azauridine","","","C1=NN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","WYXSYVWAUAUWLD-SHUUEZRQSA-N","5901",NA,"PDBC27974","","Absent"
-"6-Azido-1,3-dimethyl-5-nitropyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Azido-1,3-methyl-5-nitro-uracil","","CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])N=[N+]=[N-]","QYMDNFRRAIKXFC-UHFFFAOYSA-N","387464",NA,"PDBC27975","681269","Present"
-"6-Azido-1,3-dimethylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Azido-1,3-dimethyl-uracil","","CN1C(=CC(=O)N(C1=O)C)N=[N+]=[N-]","MYAKTIILPYPPQP-UHFFFAOYSA-N","387462",NA,"PDBC27976","681268","Present"
-"6-Azido-1,3-diphenyl-uracil","","","","","","","","","","","","","","","","","","","","6-Azido-1,3-diphenyl-uracil","","C1=CC=C(C=C1)N2C(=CC(=O)N(C2=O)C3=CC=CC=C3)N=[N+]=[N-]","NRKBNUPCFKRPMR-UHFFFAOYSA-N","387450",NA,"PDBC27977","681259","Present"
-"6-Azido-5-bromo-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Azido-5-bromo-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione","","C1C(C(OC1N2C(C(C(=O)NC2=O)Br)N=[N+]=[N-])CO)O","PANTYWCXSQKMCQ-UHFFFAOYSA-N","371923",NA,"PDBC27978","646574","Present"
-"6-Azido-5-bromo-5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Azido-5-bromo-5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione","","CCC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-])Br","XOCGUOPQZHTKCR-UHFFFAOYSA-N","371927",NA,"PDBC27979","646578","Present"
-"6-Azido-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Azido-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione","","C1C(C(OC1N2C(C(C(=O)NC2=O)Cl)N=[N+]=[N-])CO)O","VYMPYTLUKYXYBC-UHFFFAOYSA-N","371924",NA,"PDBC27980","646575","Present"
-"6-Azido-5-chloro-5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Azido-5-chloro-5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione","","CCC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-])Cl","NAQLHCNWTNZPLH-UHFFFAOYSA-N","371928",NA,"PDBC27981","646579","Present"
-"6-Benzo[1,3]dioxol-5-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-(1,3-Benzodioxol-5-yl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one","","C1OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC5=C(C=C4N3)OCO5","UJFDVDLODPAIOW-UHFFFAOYSA-N","374405",NA,"PDBC27982","652115","Present"
-"6-Benzoyl-1,2-dimethoxy-5,6-dihydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline-6a(7H)-carbonitrile","","","","","","","","","","","","","","","","","","","","1H-Benzo[de]-1,3-benzodioxolo[5,6]quinoline-6a- carbonit...","","COC1=C(C2=C3C(=C1)CCN(C3(CC4=CC5=C(C=C42)OCO5)C#N)C(=O)C6=CC=CC=C6)OC","PZQWWOMZHVYCES-UHFFFAOYSA-N","363096",NA,"PDBC27983","627666","Present"
-"6-Benzoyl-1-(2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)-2,4(1H,3H)-pyrimidinedione","","","","","","","","","","","","","","","","","","","","Uridine, 6-benzoyl-3',5'-O,O'-[oxybis[bis(1-methylethyl)...","","CC(C)[Si]1(OCC2C(CC(O2)N3C(=CC(=O)NC3=O)C(=O)C4=CC=CC=C4)O[Si](O1)(C(C)C)C(C)C)C(C)C","OTUWKKUTCWETKI-UHFFFAOYSA-N","387252",NA,"PDBC27984","680833","Present"
-"6-Benzoyl-1-methyl-2(1H)-quinolinone","","","","","","","","","","","","","","","","","","","","6-Benzoyl-1-methyl-2(1H)-quinolinone","","CN1C2=C(C=CC1=O)C=C(C=C2)C(=O)C3=CC=CC=C3","RNQWABMODVGKRW-UHFFFAOYSA-N","370174",NA,"PDBC27985","642918","Present"
-"6-Benzoyl-5,6-dihydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline-6a(7H)-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Benzoyl-5,6-dihydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline-6a(7H)-carbonitrile","","C1CN(C2(CC3=CC4=C(C=C3C5=CC=CC1=C52)OCO4)C#N)C(=O)C6=CC=CC=C6","NJPGNZVFRXCVMC-UHFFFAOYSA-N","363317",NA,"PDBC27986","628137","Present"
-"6-Benzoyl-7-imino-1,7a-dimethyl-2-phenyl-pyrazolo[4,3-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","6-Benzoyl-7-imino-1,7a-dimethyl-2-phenyl-pyrazolo[4,3-b]pyridin-3-one","","CC12C(=N)C(=CN=C1C(=O)N(N2C)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","YQEVXXRWMUCPGN-UHFFFAOYSA-N","390321",NA,"PDBC27987","687613","Present"
-"6-Benzoyl-8,11-trimethyl-benzo[4,5]imidazo[1,2-b]isoquinol ine-7,10-dione","","","","","","","","","","","","","","","","","","","","6-Benzoyl-8,9,11-trimethyl-benzo[4,5]imidazo[1,2-b]isoqu...","","CC1=C(C(=O)C2=C(C3=NC4=CC=CC=C4N3C(=C2C1=O)C)C(=O)C5=CC=CC=C5)C","HVDUMODVNCRERL-UHFFFAOYSA-N","24205253",NA,"PDBC27988","734756","Present"
-"6-Benzoyl-9-bromo-6H-indolo[2,3-b]quinoxaline","","","","","","","","","","","","","","","","","","","","6-Benzoyl-9-bromo-6H-indolo[2,3-b]quinoxaline","","C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","NGAUONVFJOAPKE-UHFFFAOYSA-N","394875",NA,"PDBC27989","698966","Present"
-"6-Benzoyl-N-(2,6-dimethylphenyl)-5-nitrosooctanamide","","","","","","","","","","","","","","","","","","","","6-Benzoyl-N-(2,6-dimethylphenyl)-5-nitrosooctanamide","","CCC(C(CCCC(=O)NC1=C(C=CC=C1C)C)N=O)C(=O)C2=CC=CC=C2","AZOCGDMSTIZWLC-UHFFFAOYSA-N","362287",NA,"PDBC27990","625898","Present"
-"6-Benzyl-1-(3-hydroxypropoxymethyl)-5-methyl-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Benzyl-1-(3-hydroxypropoxymethyl)-5-methyl-pyrimidine-2,4-dione","","CC1=C(N(C(=O)NC1=O)COCCCO)CC2=CC=CC=C2","CUKYRFFQVQQAGC-UHFFFAOYSA-N","392942",NA,"PDBC27991","694153","Present"
-"6-Benzyl-1-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine","","","","","","","","","","","","","","","","","","","","6-Benzyl-1-methyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine","","CC1=NN=C2N1C3=CC=CC=C3N(CC2)CC4=CC=CC=C4","ZBPZUVKTTZYIBF-UHFFFAOYSA-N","400096",NA,"PDBC27992","711588","Present"
-"6-Benzyl-12-(2-oxiranylmethyl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione","","","","","","","","","","","","","","","","","","","","6-Benzyl-12-(2-oxiranylmethyl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione","","C1C(O1)CN2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)CC8=CC=CC=C8","OFQDNQXFLVBEHM-UHFFFAOYSA-N","363809",NA,"PDBC27993","629023","Present"
-"6-Benzyl-13H-dibenzo[d,3,7]oxadiazecine-8,14-diones","","","","","","","","","","","","","","","","","","","","6-Benzyl-13H-dibenzo[d,h][1,3,7]oxadiazecine-8,14-diones","","C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)NC4=CC=CC=C4C(=O)O2","YXSMRSMZKUSATF-UHFFFAOYSA-N","404809",NA,"PDBC27994","721327","Present"
-"6-Benzyl-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","N-Benzyl-5,6-dihydro-2,3-dimethoxy-5,11-oxo-11H-indeno~[...","","COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=CC=CC=C5)OC","VSJHTBREBCSWSI-UHFFFAOYSA-N","402104",NA,"PDBC27995","715841","Present"
-"6-Benzyl-2H-1,2,4-triazine-3,5-dithione","","","","","","","","","","","","","","","","","","","","1,2,4-Triazine-3,5(2H,4H) dithione, 6-benzyl-","","C1=CC=C(C=C1)CC2=NNC(=S)NC2=S","LJIJCOCWWHDFLK-UHFFFAOYSA-N","3004106",NA,"PDBC27996","628343","Present"
-"6-Benzyl-3,8,9-trimethoxy-11-methyl-6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one","","","","","","","","","","","","","","","","","","","","6-Benzyl-3,8,9-trimethoxy-11-methyl-6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one","","CC1C2=CC(=C(C=C2C3=C1C4=C(C=C(C=C4)OC)C(=O)N3CC5=CC=CC=C5)OC)OC","JDSKXNOKMRKBKV-UHFFFAOYSA-N","373164",NA,"PDBC27997","649107","Present"
-"6-Benzyl-3-[(2,4-dichlorophenoxy)methyl]-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one","","","","","","","","","","","","","","","","","","","","6-Benzyl-3-[(2,4-dichlorophenoxy)methyl][1,2,4]triazolo[4,3-b][1,2,4]triazin-7(1h)-one","","C1=CC=C(C=C1)CC2=NN3C(=NN=C3NC2=O)COC4=C(C=C(C=C4)Cl)Cl","SERHDQJSBCSRRG-UHFFFAOYSA-N","135426743",NA,"PDBC27998","715671","Present"
-"6-Benzyl-3-[[4-[(6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-Benzyl-3-[[4-[(6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","CC(C)(C)C1=CC(=C(C=C1OCC2=NN=C3N2N=C(S3)CC4=CC=CC=C4)Cl)OCC5=NN=C6N5N=C(S6)CC7=CC=CC=C7","LKPCBXHUCMQJSB-UHFFFAOYSA-N","402706",NA,"PDBC27999","716894","Present"
-"6-Benzyl-6-azabicyclo[3.2.0]heptan-7-one","","","","","","","","","","","","","","","","","","","","6-Benzyl-6-azabicyclo[3.2.0]heptan-7-one","","C1CC2C(C1)N(C2=O)CC3=CC=CC=C3","BRRVFNWXYMHOGW-UHFFFAOYSA-N","395356",NA,"PDBC28000","699838","Present"
-"6-Benzyl-6H-benzo[f]naphtho[2,7,12,13,14-pentaone","","","","","","","","","","","","","","","","","","","","6-Benzyl-6H-benzo[f]naphtho[2,3-b]azocin-5,7,12,13,14-pe...","","C1=CC=C(C=C1)CN2C3=C(C(=O)C4=CC=CC=C4C3=O)C(=O)C(=O)C5=CC=CC=C5C2=O","IETCHWOCXICTOJ-UHFFFAOYSA-N","406018",NA,"PDBC28001","723898","Present"
-"6-Benzyl-7-oxo-2,3,5,6-tetrahydro-1H-s-indacene-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Benzyl-7-oxo-2,3,5,6-tetrahydro-1H-s-indacene-4-carboxylic acid","","C1CC2=CC3=C(CC(C3=O)CC4=CC=CC=C4)C(=C2C1)C(=O)O","ZQUIGRQEFUNWEB-UHFFFAOYSA-N","385666",NA,"PDBC28002","677012","Present"
-"6-Benzyl-7H-benzo[de]anthracen-7-one","","","","","","","","","","","","","","","","","","","","NSC633241","","C1=CC=C(C=C1)CC2=C3C4=C(C=CC=C4C5=CC=CC=C5C3=O)C=C2","MTYCTNBXUBUBIL-UHFFFAOYSA-N","365541",NA,"PDBC28003","633241","Present"
-"6-Benzylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Benzylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo...","","C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N=CC4=CC=CC=C4O","AIMBUYJGBIPREM-UHFFFAOYSA-N","406684",NA,"PDBC28004","724949","Present"
-"6-Benzyloxy-2-[3-(4-nitrophenyloxycarbonyl)-3-methyl-triazen e-1-yl]-purine","","","","","","","","","","","","","","","","","","","","6-benzyloxy-2-[3-(4-nitrophenyloxycarbonyl)-3-methyl-tri...","","CN(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N=NC2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3","YUJWQSHNZAQYRG-OCEACIFDSA-N","11408262",NA,"PDBC28005","729970","Present"
-"6-Benzyloxy-3-methyl-2-hexen-1-ol pyrophosphate","","","","","","","","","","","","","","","","","","","","6-Benzyloxy-3-methyl-2-hexen-1-ol pyrophosphate","","CC(=CCOP(=O)(O)OP(=O)(O)O)CCCOCC1=CC=CC=C1.N","MNDVOGBNNHJDON-KJEVSKRMSA-N","5473028",NA,"PDBC28006","723488","Present"
-"6-Benzyloxy-4-(2'-hydroxybenzulidene amino)pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Benzyloxy-4-(2'-hydroxybenzulidene amino)pyrazolo[3,4-...","","C1=CC=C(C=C1)COC2=NC3=C(C=NN3)C(=N2)N=CC4=CC=CC=C4O","SSMDIVMMLRFEFK-UHFFFAOYSA-N","406696",NA,"PDBC28007","724961","Present"
-"6-Benzyloxyhexanal","","","","","","","","","","","","","","","","","","","","6-Benzyloxyhexanal","","C1=CC=C(C=C1)COCCCCCC=O","OKBHPVOFRDHZPQ-UHFFFAOYSA-N","389877",NA,"PDBC28008","686505","Present"
-"6-Benzylsulfanyl-5-cyano-2-methyl-4-(5-methylfuran-2-yl)-N-phenyl-1,4-dihydropyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-Benzylsulfanyl-5-cyano-2-methyl-4-(5-methylfuran-2-yl)-N-phenyl-1,4-dihydropyridine-3-carboxamide","","CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC4=CC=CC=C4)C#N","YZDFJPNQRLDXLG-UHFFFAOYSA-N","398164",NA,"PDBC28009","707696","Present"
-"6-Benzylthio-3-cyanomethyl-4-piperidino pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Benzylthio-3-cyanomethyl-4-piperidino pyrazolo[3,4-d]p...","","C1CCN(CC1)C2=NC(=NC3=NNC(=C32)CC#N)SCC4=CC=CC=C4","QEPWBCWKGBHKRZ-UHFFFAOYSA-N","406444",NA,"PDBC28010","724518","Present"
-"6-Benzylthio-4-morpholinopyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Benzylthio-4-morpholinopyrazolo[3,4-d]pyrimidine","","C1COCCN1C2=NC(=NC3=C2C=NN3)SCC4=CC=CC=C4","STXDNEMQKPFFFE-UHFFFAOYSA-N","405659",NA,"PDBC28011","723118","Present"
-"6-Benzylthio-4-piperidinopyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Benzylthio-4-piperidinopyrazolo[3,4-d]pyrimidine","","C1CCN(CC1)C2=NC(=NC3=C2C=NN3)SCC4=CC=CC=C4","RZLXPPKSNANWEM-UHFFFAOYSA-N","405660",NA,"PDBC28012","723119","Present"
-"6-Benzylthioinosine","","","","","","","","","","","","","","","","","","","","6-Benzylthioinosine","","C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O","OMJRXFOHHLLDFR-UHFFFAOYSA-N","95263",NA,"PDBC28013","26273","Present"
-"6-Bromo-1,2,3-benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","6-Bromo-1,2,3-benzodithiazol-1-ium;chloride","","C1=CC2=NS[S+]=C2C=C1Br.[Cl-]","WIXZWNQBGQTFBQ-UHFFFAOYSA-M","359756",NA,"PDBC28014","621198","Present"
-"6-Bromo-1,3-benzodioxole-5-carbaldehyde O-acetyloxime","","","","","","","","","","","","","","","","","","","","6-Bromo-1,3-benzodioxole-5-carbaldehyde O-acetyloxime","","CC(=O)ON=CC1=CC2=C(C=C1Br)OCO2","STGAHKVBVVMSJP-UUILKARUSA-N","9571357",NA,"PDBC28015","648086","Present"
-"6-Bromo-1,3-benzodioxole-5-carbaldehyde diethyldithioacetal","","","","","","","","","","","","","","","","","","","","5-[Bis(ethylsulfanyl)methyl]-6-bromo-1,3-benzodioxole","","CCSC(C1=CC2=C(C=C1Br)OCO2)SCC","UKVYWBULAWDRMA-UHFFFAOYSA-N","359194",NA,"PDBC28016","619876","Present"
-"6-Bromo-1,3-benzodioxole-5-carbaldehyde hydroxyhydrazone","","","","","","","","","","","","","","","","","","","","6-Bromo-1,3-benzodioxole-5-carbaldehyde hydroxyhydrazone","","C1OC2=C(O1)C=C(C(=C2)C=NNO)Br","UVYLJWPUBKBCHA-XCVCLJGOSA-N","9571356",NA,"PDBC28017","648085","Present"
-"6-Bromo-1,3-benzodioxole-5-carbaldehyde oxime","","","","","","","","","","","","","","","","","","","","FCH1316387","","C1OC2=C(O1)C=C(C(=C2)C=NO)Br","LDVWAWRHAYQDDA-XCVCLJGOSA-N","9555894",NA,"PDBC28018","647352","Present"
-"6-Bromo-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","6-Bromo-1,3-dichloro-5,6-dihydro-4h-cyclopenta[c]thiophen-4-one","","C1C(C2=C(SC(=C2C1=O)Cl)Cl)Br","QXJHUKYIQBIUGT-UHFFFAOYSA-N","400227",NA,"PDBC28019","711745","Present"
-"6-Bromo-1-(2-hydroxyethoxymethyl)quinazoline-2,4-dione","","","","","","","","","","","","","","","","","","","","1-(2-Hydroxyethoxymethyl)-6-bromo-2,4(1H,3H)-quinazoline...","","C1=CC2=C(C=C1Br)C(=O)NC(=O)N2COCCO","APRWXNAEOTZEFO-UHFFFAOYSA-N","390552",NA,"PDBC28020","688038","Present"
-"6-Bromo-1-(butoxymethyl)quinazoline-2,4-dione","","","","","","","","","","","","","","","","","","","","1-Butyloxymethyl-6-bromo-2,4(1H,3H)-quinazolinedione","","CCCCOCN1C2=C(C=C(C=C2)Br)C(=O)NC1=O","SIRACVGITUAENJ-UHFFFAOYSA-N","390546",NA,"PDBC28021","688034","Present"
-"6-Bromo-1H-3,1-benzothiazine-2,4-dithione","","","","","","","","","","","","","","","","","","","","6-Bromo-1H-3,1-benzothiazine-2,4-dithione","","C1=CC2=C(C=C1Br)C(=S)SC(=S)N2","RVXQTHWTKITLDI-UHFFFAOYSA-N","5472017",NA,"PDBC28022","716026","Present"
-"6-Bromo-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one","","","","","","","","","","","","","","","","","","","","6-Bromo-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one","","C1=CC2=C(C3=NC=CC4=C5C=C(C=CC5=NC(=C43)C2=O)Br)N=C1","IEMDEAMHQYKMCM-UHFFFAOYSA-N","387194",NA,"PDBC28023","680735","Present"
-"6-Bromo-2,3,7-trichloro-3,7-dimethyloct-1-ene","","","","","","","","","","","","","","","","","","","","6-Bromo-2,3,7-trichloro-3,7-dimethyloct-1-ene","","CC(C)(C(CCC(C)(C(=C)Cl)Cl)Br)Cl","WXODJOCYHUCSME-UHFFFAOYSA-N","382935",NA,"PDBC28024","670812","Present"
-"6-Bromo-2-(4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","6-Bromo-2-(4-hydroxyphenyl)benzothiazole","","C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)Br)O","DRVYBNUIXAWRAS-UHFFFAOYSA-N","405000",NA,"PDBC28025","721654","Present"
-"6-Bromo-2-(chloromethyl)-3-(4-hydroxy-3-nitrophenyl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6-Bromo-2-(chloromethyl)-3-(4-hydroxy-3-nitrophenyl)quinazolin-4(3H)-one","","C1=CC(=C(C=C1N2C(=NC3=C(C2=O)C=C(C=C3)Br)CCl)[N+](=O)[O-])O","WKSXUEQCSQGGDB-UHFFFAOYSA-N","369094",NA,"PDBC28026","640651","Present"
-"6-Bromo-2-[(4-chlorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one","","","","","","","","","","","","","","","","","","","","6-Bromo-2-[(4-chlorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one","","C1CN(C(=O)C2=C1C3=C(N2)C=CC(=C3)Br)CC4=CC=C(C=C4)Cl","KMEXYEFPZGXTTR-UHFFFAOYSA-N","387858",NA,"PDBC28027","682069","Present"
-"6-Bromo-2-[(E)-4-bromobut-2-enyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","6-Bromo-2-[(E)-4-bromobut-2-enyl]-1,2,4-triazine-3,5-dione","","C(C=CCBr)N1C(=O)NC(=O)C(=N1)Br","PNIDXIJDDRAAQT-OWOJBTEDSA-N","5468896",NA,"PDBC28028","678986","Present"
-"6-Bromo-2-[(E)-4-diethoxyphosphorylbut-2-enyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","6-Bromo-2-[(E)-4-diethoxyphosphorylbut-2-enyl]-1,2,4-triazine-3,5-dione","","CCOP(=O)(CC=CCN1C(=O)NC(=O)C(=N1)Br)OCC","SQUVZOZVQKZYAZ-AATRIKPKSA-N","5468897",NA,"PDBC28029","678987","Present"
-"6-Bromo-2-[(E)-4-hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","6-Bromo-2-[(E)-4-hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione","","C(C=CCO)N1C(=O)NC(=O)C(=N1)Br","BWGLTLPOTBBTML-OWOJBTEDSA-N","5468898",NA,"PDBC28030","678988","Present"
-"6-Bromo-2-[2-(diethoxyphosphorylmethoxy)ethyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","6-Bromo-2-[2-(diethoxyphosphorylmethoxy)ethyl]-1,2,4-triazine-3,5-dione","","CCOP(=O)(COCCN1C(=O)NC(=O)C(=N1)Br)OCC","RDRMWRHEXKLCQH-UHFFFAOYSA-N","386543",NA,"PDBC28031","678975","Present"
-"6-Bromo-2-[2-(diethoxyphosphorylmethoxy)ethyl]-4-prop-2-enyl-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","6-Bromo-2-[2-(diethoxyphosphorylmethoxy)ethyl]-4-prop-2-enyl-1,2,4-triazine-3,5-dione","","CCOP(=O)(COCCN1C(=O)N(C(=O)C(=N1)Br)CC=C)OCC","WTBOXCQBYYRHEP-UHFFFAOYSA-N","386544",NA,"PDBC28032","678976","Present"
-"6-Bromo-2-[[1-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","6-Bromo-2-[[1-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C=C(N=N3)CN4C(=O)NC(=O)C(=N4)Br)O","VGYZOKJEVIWJRY-UHFFFAOYSA-N","392017",NA,"PDBC28033","691816","Present"
-"6-Bromo-2-[[3-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione","","","","","","","","","","","","","","","","","","","","6-Bromo-2-[[3-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C(=CN=N3)CN4C(=O)NC(=O)C(=N4)Br)O","XDYMWSYAOXFCTE-UHFFFAOYSA-N","392012",NA,"PDBC28034","691811","Present"
-"6-Bromo-2-chloro-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline","","","","","","","","","","","","","","","","","","","","6-Bromo-2-chloro-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline","","COC1=CC=C(C=C1)C2=NNC(C2)C3=C(N=C4C=CC(=CC4=C3)Br)Cl","AQBPHVFYERZJRX-UHFFFAOYSA-N","402204",NA,"PDBC28035","716095","Present"
-"6-Bromo-2-chloro-3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]quinoline","","","","","","","","","","","","","","","","","","","","6-Bromo-2-chloro-3-[3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1h-pyrazol-5-yl]quinoline","","COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)C5=CC=CC=C5","ZWQTXAVQMKVHJX-UHFFFAOYSA-N","402206",NA,"PDBC28036","716097","Present"
-"6-Bromo-2-hydrazino-3-(2-methoxyphenyl)-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","6-Bromo-2-hydrazino-3-(2-methoxyphenyl)-4(3H)-quinazolinone","","COC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)Br)N=C2NN","AMQKEVGCGAKCJL-UHFFFAOYSA-N","370858",NA,"PDBC28037","644580","Present"
-"6-Bromo-2-mercapto-3-phenylquinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","STL356720","","C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)NC2=S","VYQBHLQJGGBSDC-UHFFFAOYSA-N","786570",NA,"PDBC28038","639726","Present"
-"6-Bromo-2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one","","","","","","","","","","","","","","","","","","","","5H-Benzocyclohepten-5-one, 6-bromo-6,7,8,9-tetrahydro-2-...","","COC1=CC2=C(C=C1)C(=O)C(CCC2)Br","YVOBLRLPIJTZAI-UHFFFAOYSA-N","325766",NA,"PDBC28039","295084","Present"
-"6-Bromo-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one","","","","","","","","","","","","","","","","","","","","Pyrrolo[1,2-a]pyrazin-1(2H)-one, 6-bromo-3,4-dihydro-2- ...","","CN1CCN2C(=CC=C2Br)C1=O","MJZAOXAXSKZXMG-UHFFFAOYSA-N","371931",NA,"PDBC28040","646645","Present"
-"6-Bromo-3-(1-(4-chlorobenzoyl)-2,2-bis(methylthio)vinyl)-1,3-benzothiazol-2(3H)-one","","","","","","","","","","","","","","","","","","","","6-Bromo-3-(1-(4-chlorobenzoyl)-2,2-bis(methylthio)vinyl)-1,3-benzothiazol-2(3H)-one","","CSC(=C(C(=O)C1=CC=C(C=C1)Cl)N2C3=C(C=C(C=C3)Br)SC2=O)SC","VXLWPQJTBDKIGS-UHFFFAOYSA-N","382377",NA,"PDBC28041","669935","Present"
-"6-Bromo-3-(4-bromophenyl)-2-sulfanylidene-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6-Bromo-3-(4-bromophenyl)-2-thioxo-1H-quinazolin-4-one","","C1=CC(=CC=C1N2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Br","BGBVCWGCRPYZTI-UHFFFAOYSA-N","3004236",NA,"PDBC28042","639730","Present"
-"6-Bromo-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-8-methoxychromen-2-one","","","","","","","","","","","","","","","","","","","","6-Bromo-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-8-methoxy-2h-chromen-2-one","","COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C3=CSC4=NCCN34","OBSGTCWKFUZTBI-UHFFFAOYSA-N","403451",NA,"PDBC28043","718318","Present"
-"6-Bromo-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-4(3H)-quinazolinone","","","","","","","","","","","","","","","","","","","","6-Bromo-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-4(3H)-quinazolinone","","CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=NN=C(S3)C(C)(C)C","XRCGVSDQZHEWQM-UHFFFAOYSA-N","379113",NA,"PDBC28044","663327","Present"
-"6-Bromo-3-(bromomethyl)-1,7-trichloro-7-methyl-2-octene","","","","","","","","","","","","","","","","","","","","6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyl-2-octene","","CC(C)(C(CCC(=C(CCl)Cl)CBr)Br)Cl.CC(C)(C(CCC(=C(CCl)Cl)CBr)Br)Cl","OHZONQTTYQKPTH-UIEDMYEOSA-N","5468035",NA,"PDBC28045","662810","Present"
-"6-Bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyloct-1-ene","","","","","","","","","","","","","","","","","","","","HALOMON (RACEMIC)///(-)-6-Bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene///(+)-6-Bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene","","CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Cl","OVLCIYBVQSJPKK-UHFFFAOYSA-N","3558",NA,"PDBC28046","662825///673501///673502","Present"
-"6-Bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene","","","","","","","","","","","","","","","","","","","","6-Bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene","","CC(=C(CCC(CBr)(C=C)Cl)Br)C","BUCYUZKBYYLDKN-UHFFFAOYSA-N","4680477",NA,"PDBC28047","702148","Present"
-"6-Bromo-3-(bromomethyl)-7-chloro-7-methyl-1-octen-3-ol","","","","","","","","","","","","","","","","","","","","6-bromo-3-(bromomethyl)-7-chloro-7-methyl-1-octen-3-ol","","CC(C)(C(CCC(CBr)(C=C)O)Br)Cl","SEFMGOQEBNDFOL-UHFFFAOYSA-N","379043",NA,"PDBC28048","662814","Present"
-"6-Bromo-3-(bromomethyl)-7-chloro-7-methyl-2-octene","","","","","","","","","","","","","","","","","","","","6-bromo-3-(bromomethyl)-7-chloro-7-methyl-2-octene","","CC=C(CCC(C(C)(C)Cl)Br)CBr.CC=C(CCC(C(C)(C)Cl)Br)CBr","NZQUFWMNUCDSJM-WAFRJPMBSA-N","5468038",NA,"PDBC28049","662811","Present"
-"6-Bromo-3-(bromomethyl)-7-methyl-1,7-octadien-3-ol","","","","","","","","","","","","","","","","","","","","6-bromo-3-(bromomethyl)-7-methyl-1,7-octadien-3-ol","","CC(=C)C(CCC(CBr)(C=C)O)Br","MAIAZZXAWULVPY-UHFFFAOYSA-N","379044",NA,"PDBC28050","662815","Present"
-"6-Bromo-3-(p-tolyl)-2-thioxo-1H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6-Bromo-3-(p-tolyl)-2-thioxo-1H-quinazolin-4-one","","CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)NC2=S","CJHLUNCJIYPCEK-UHFFFAOYSA-N","2978716",NA,"PDBC28051","639731","Present"
-"6-Bromo-3-[3-(6-bromo-4-hydroxy-1-oxo-2H-isoquinolin-3-yl)-1,4-dihydroxynaphthalen-2-yl]isoquinoline-1,4-dione","","","","","","","","","","","","","","","","","","","","2,3-bis(6-bromo-1,4-dihydroxyisoquinolin-3-yl)naphthalen...","","C1=CC=C2C(=C1)C(=C(C(=C2O)C3=NC(=O)C4=C(C3=O)C=C(C=C4)Br)C5=C(C6=C(C=CC(=C6)Br)C(=O)N5)O)O","RQCCIMUOBKCYKK-UHFFFAOYSA-N","155816415",NA,"PDBC28052","797537","Present"
-"6-Bromo-3-bromomethyl-3,7-dichloro-7-methyl-1-octene","","","","","","","","","","","","","","","","","","","","6-Bromo-3-bromomethyl-3,7-dichloro-7-methyl-1-octene","","CC(C)(C(CCC(CBr)(C=C)Cl)Br)Cl","OGRGXGGBTRUIDS-UHFFFAOYSA-N","1552",NA,"PDBC28053","659554","Present"
-"6-Bromo-3-chloro-8-nitroquinoline","","","","","","","","","","","","","","","","","","","","6-Bromo-3-chloro-8-nitroquinoline","","C1=C2C=C(C=NC2=C(C=C1Br)[N+](=O)[O-])Cl","ZEINDBBRQIPPSP-UHFFFAOYSA-N","384159",NA,"PDBC28054","673449","Present"
-"6-Bromo-3-chloroquinolin-8-ol","","","","","","","","","","","","","","","","","","","","7JX","","C1=C2C=C(C=NC2=C(C=C1Br)O)Cl","IYXNDLZQIYAJTB-UHFFFAOYSA-N","384175",NA,"PDBC28055","673499","Present"
-"6-Bromo-3-imidazo[2,1-b][1,3]benzothiazol-2-yl-8-methoxychromen-2-one","","","","","","","","","","","","","","","","","","","","6-Bromo-3-imidazo[2,1-b][1,3]benzothiazol-2-yl-8-methoxy-2h-chromen-2-one","","COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C3=CN4C5=CC=CC=C5SC4=N3","LQBMMXPHDIWWHQ-UHFFFAOYSA-N","403448",NA,"PDBC28056","718315","Present"
-"6-Bromo-3-imidazo[2,1-b][1,3]thiazol-6-yl-8-methoxychromen-2-one","","","","","","","","","","","","","","","","","","","","6-Bromo-3-imidazo[2,1-b][1,3]thiazol-6-yl-8-methoxy-2h-chromen-2-one","","COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C3=CN4C=CSC4=N3","QTJDFOYDWVQRDR-UHFFFAOYSA-N","403455",NA,"PDBC28057","718322","Present"
-"6-Bromo-3-phenyl-1H-quinazoline-2,4-dithione","","","","","","","","","","","","","","","","","","","","6-Bromo-3-phenyl-1H-quinazoline-2,4-dithione","","C1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Br)NC2=S","DQJMUJVIJWGDFF-UHFFFAOYSA-N","3004235",NA,"PDBC28058","639728","Present"
-"6-Bromo-3-propyl-2-(propylaminomethyl)quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6-Bromo-3-propyl-2-[(propylamino)methyl]quinazolin-4(3H)-one","","CCCNCC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCC","UKKZGNQPCZBMQW-UHFFFAOYSA-N","369092",NA,"PDBC28059","640649","Present"
-"6-Bromo-3H-1,2,3-benzodithiazole-2-oxide","","","","","","","","","","","","","","","","","","","","6-Bromo-3H-1,2,3-benzodithiazole-2-oxide","","C1=CC2=C(C=C1Br)SS(=O)N2","QCAVOIFYYYBGOQ-NSHDSACASA-N","359157",NA,"PDBC28060","619837","Present"
-"6-Bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)quinazoline","","","","","","","","","","","","","","","","","","","","4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-6-quinaz...","","CC1(CC2CC(C1)(CN2C3=NC=NC4=C3C=C(C=C4)Br)C)C","NNEVMBDBIWBOIP-UHFFFAOYSA-N","3252078",NA,"PDBC28061","727848","Present"
-"6-Bromo-4-[(3-bromophenyl)amino]-2-(2-thienyl)quinazoline","","","","","","","","","","","","","","","","","","","","6-bromo-4-[(3-bromophenyl)amino]-2-(2-thienyl)quinazoline","","C1=CC(=CC(=C1)Br)NC2=NC(=NC3=C2C=C(C=C3)Br)C4=CC=CS4","PQPNQLSJQSOFEL-UHFFFAOYSA-N","405774",NA,"PDBC28062","723417","Present"
-"6-Bromo-4-cinnolinethiol","","","","","","","","","","","","","","","","","","","","6-Bromo-4-cinnolinethiol","","C1=CC2=C(C=C1Br)C(=S)C=NN2","NRPZTUQPQJQHAV-UHFFFAOYSA-N","3003833",NA,"PDBC28063","114063","Present"
-"6-Bromo-4-hydroxy-2-oxo-2H-chromene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Bromo-4-hydroxy-2-oxo-2H-chromene-3-carboxylic acid","","C1=CC2=C(C=C1Br)C(=C(C(=O)O2)C(=O)O)O","DITILQJVMZCSFN-UHFFFAOYSA-N","54690690",NA,"PDBC28064","115531","Present"
-"6-Bromo-5-chloroimidazo[1,2-a]pyrimidin-7(8H)-one","","","","","","","","","","","","","","","","","","","","6-Bromo-5-chloroimidazo[1,2-a]pyrimidin-7(8H)-one","","C1=CN2C(=C(C(=O)NC2=N1)Br)Cl","BASYBNIOWOTQRE-UHFFFAOYSA-N","385098",NA,"PDBC28065","676033","Present"
-"6-Bromo-5-methyl-2,4-bis(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Bromo-5-methyl-2,4-bis(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine","","CC1=C(NC2=C1C(=NC(=N2)SC)SC)Br","RLVRONXBFJPVLA-UHFFFAOYSA-N","357480",NA,"PDBC28066","616509","Present"
-"6-Bromo-7-chloro-7-methyl-3-methylideneoct-1-ene","","","","","","","","","","","","","","","","","","","","2-(3-Bromo-4-chloro-4-methylpentyl)-1,3-butadiene","","CC(C)(C(CCC(=C)C=C)Br)Cl","GVQPIFWKCUAHDM-UHFFFAOYSA-N","377928",NA,"PDBC28067","659551","Present"
-"6-Bromo-9-ethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one","","","","","","","","","","","","","","","","","","","","6-Bromo-9-ethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one","","CCN1CCCN2C3=C(C=C(C=C31)Br)NC2=O","BLOWKDYKISOZPB-UHFFFAOYSA-N","400089",NA,"PDBC28068","711581","Present"
-"6-Bromo-9-ethyl-10-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one","","","","","","","","","","","","","","","","","","","","6-Bromo-9-ethyl-10-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one","","CCN1C(CCN2C3=C(C=C(C=C31)Br)NC2=O)C","IGYNOQZOPBHGRO-UHFFFAOYSA-N","400091",NA,"PDBC28069","711583","Present"
-"6-Bromo-9-ethyl-11-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one","","","","","","","","","","","","","","","","","","","","6-Bromo-9-ethyl-11-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one","","CCN1CC(CN2C3=C(C=C(C=C31)Br)NC2=O)C","OFBMYVVLHPCLAM-UHFFFAOYSA-N","400090",NA,"PDBC28070","711582","Present"
-"6-Bromo-9H-pyrimido[4,5-b]indole-2,4-diol","","","","","","","","","","","","","","","","","","","","6-Bromo-9H-pyrimido[4,5-b]indole-2,4-diol","","C1=CC2=C(C=C1Br)C3=C(N2)NC(=O)NC3=O","BBHZAGKSNBDZIV-UHFFFAOYSA-N","387236",NA,"PDBC28071","680811","Present"
-"6-Bromo-N-butyl-N-ethylquinazolin-4-amine","","","","","","","","","","","","","","","","","","","","N4-butyl-N4-methyl-6-bromo-4-quinazolinamine 6-bromo-4-q...","","CCCCN(CC)C1=NC=NC2=C1C=C(C=C2)Br","XGTDEUHICAOTRE-UHFFFAOYSA-N","1560413",NA,"PDBC28072","727845","Present"
-"6-Bromo-alpha-(diheptylaminomethyl)-9-phenanthrenemethanol hydrochloride, (+/-)-","","","","","","","","","","","","","","","","","","","","9-Phenanthrenemethanol, 6-bromo-.alpha.-[(diheptylamino)...","","CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)O.Cl","RMHGTXQFHHYEST-UHFFFAOYSA-N","45049470",NA,"PDBC28073","13307","Present"
-"6-Bromochroman-2-one","","","","","","","","","","","","","","","","","","","","6-Bromochroman-2-one","","C1CC(=O)OC2=C1C=C(C=C2)Br","FFZQWUVOIMYRKC-UHFFFAOYSA-N","266737",NA,"PDBC28074","105509","Present"
-"6-Bromoindole-maleimide-tritylimidazole","","","","","","","","","","","","","","","","","","","","3-(6-Bromo-1H-indol-3-yl)-4-(1-tritylimidazol-4-yl)pyrrole-2,5-dione","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C5=C(C(=O)NC5=O)C6=CNC7=C6C=CC(=C7)Br","VYVOLNRFTXWOHA-UHFFFAOYSA-N","398494",NA,"PDBC28075","708405","Present"
-"6-Bromoquinolin-8-ol","","","","","","","","","","","","","","","","","","","","6-Bromoquinolin-8-ol","","C1=CC2=CC(=CC(=C2N=C1)O)Br","IMUJTAIQEBHAMT-UHFFFAOYSA-N","384163",NA,"PDBC28076","673454","Present"
-"6-Bromosangivamycin","","","","","","","","","","","","","","","","","","","","6-Bromosangivamycin","","C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)Br)C(=O)N)N","DMXIHKQKBYZIHM-UHFFFAOYSA-N","270853",NA,"PDBC28077","113943","Present"
-"6-Bromotoyocamycin","","","","","","","","","","","","","","","","","","","","6-Bromotoyocamycin","","C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)Br)C#N)N","VGLVPHRWFSFJJL-UHFFFAOYSA-N","270861",NA,"PDBC28078","113951","Present"
-"6-Butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;iodide","","","","","","","","","","","","","","","","","","","","6-Butyl-12-methyl-5,6-dihydrobenzimidazo[2,1-a]isoquinolin-12-ium iodide","","CCCCC1CC2=CC=CC=C2C3=[N+](C4=CC=CC=C4N13)C.[I-]","HCWJJPYTOUWGAG-UHFFFAOYSA-M","400886",NA,"PDBC28079","713561","Present"
-"6-Butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium-3,10-diol;6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol;diiodide","","","","","","","","","","","","","","","","","","","","6-Butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium-3,10-diol;6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol;diiodide","","CCCCC1CC2=C(C=CC(=C2)O)C3=[N+](C4=C(N13)C=C(C=C4)O)C.CCCCC1CC2=C(C=CC(=C2)O)C3=[N+]1C4=C(N3C)C=C(C=C4)O.[I-].[I-]","LHZRXZPEXYNYDM-UHFFFAOYSA-N","403475",NA,"PDBC28080","718370","Present"
-"6-Butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;6-butyl-3,10-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium;diiodide","","","","","","","","","","","","","","","","","","","","6-Butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;6-butyl-3,10-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium;diiodide","","CCCCC1CC2=C(C=CC(=C2)OC)C3=[N+](C4=C(N13)C=C(C=C4)OC)C.CCCCC1CC2=C(C=CC(=C2)OC)C3=[N+]1C4=C(N3C)C=C(C=C4)OC.[I-].[I-]","YWUUHIBPUPQWKU-UHFFFAOYSA-L","403469",NA,"PDBC28081","718368","Present"
-"6-Butyl-3,9-dimethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline;6-butyl-3,10-dimethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline","","","","","","","","","","","","","","","","","","","","6-Butyl-3,9-dimethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline;6-butyl-3,10-dimethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline","","CCCCC1CC2=C(C=CC(=C2)OC)C3=NC4=C(N13)C=CC(=C4)OC.CCCCC1CC2=C(C=CC(=C2)OC)C3=NC4=C(N13)C=C(C=C4)OC","QXWCADDBAQYLMP-UHFFFAOYSA-N","403466",NA,"PDBC28082","718367","Present"
-"6-Butyl-5,6-dihydrobenzimidazo[2,1-a]isoquinoline","","","","","","","","","","","","","","","","","","","","6-Butyl-5,6-dihydrobenzimidazo[2,1-a]isoquinoline","","CCCCC1CC2=CC=CC=C2C3=NC4=CC=CC=C4N13","NAWHTNIQMXZZIH-UHFFFAOYSA-N","400885",NA,"PDBC28083","713560","Present"
-"6-Butyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-3,9-diol;6-butyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-3,10-diol","","","","","","","","","","","","","","","","","","","","6-Butyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-3,9-diol;6-butyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-3,10-diol","","CCCCC1CC2=C(C=CC(=C2)O)C3=NC4=C(N13)C=CC(=C4)O.CCCCC1CC2=C(C=CC(=C2)O)C3=NC4=C(N13)C=C(C=C4)O","NMWXTADRFPKYDL-UHFFFAOYSA-N","403472",NA,"PDBC28084","718369","Present"
-"6-Butyl-7,8-dihydroxy-4-methylchromen-2-one","","","","","","","","","","","","","","","","","","","","6-Butyl-7,8-dihydroxy-4-methylchromen-2-one","","CCCCC1=CC2=C(C(=C1O)O)OC(=O)C=C2C","CUQYSSSRIMMNDY-UHFFFAOYSA-N","5355695",NA,"PDBC28085","43578","Present"
-"6-Butyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Butyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylic acid","","CCCCN1C=C(C(=O)C2=C1C=CC3=C2SC=C3)C(=O)O","NIZULCXXKVADEO-UHFFFAOYSA-N","376957",NA,"PDBC28086","658157","Present"
-"6-Butyryl-1-methyl-2(1H)-quinolinone","","","","","","","","","","","","","","","","","","","","6-Butyryl-1-methyl-2(1H)-quinolinone","","CCCC(=O)C1=CC2=C(C=C1)N(C(=O)C=C2)C","LJDDIPKYAIBOHD-UHFFFAOYSA-N","370176",NA,"PDBC28087","642920","Present"
-"6-Chloro-1,1-dioxo-3-[(pyridine-4-carbonylamino)carbamoyl]-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide","","","","","","","","","","","","","","","","","","","","6-Chloro-1,1-dioxo-3-[(pyridine-4-carbonylamino)carbamoyl]-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide","","C1=CN=CC=C1C(=O)NNC(=O)C2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N","VVGDUPPOWPYSED-UHFFFAOYSA-N","457359",NA,"PDBC28088","646808","Present"
-"6-Chloro-1,2,3-benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","6-Chloro-1,2,3-benzodithiazol-1-ium;chloride","","C1=CC2=NS[S+]=C2C=C1Cl.[Cl-]","FLLNQVZOFGKYEW-UHFFFAOYSA-M","359816",NA,"PDBC28089","621376","Present"
-"6-Chloro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline","","","","","","","","","","","","","","","","","","","","6-Chloro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline","","C1=CC=C(C=C1)C2=C3C(=NN(C3=NC4=C2C=C(C=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6","PWFXHROTSVMRFD-UHFFFAOYSA-N","394795",NA,"PDBC28090","698582","Present"
-"6-Chloro-1,3-dimethyl-4-phenyl-1H-pyrazolo[3,4-b]quinoline","","","","","","","","","","","","","","","","","","","","6-Chloro-1,3-dimethyl-4-phenyl-1H-pyrazolo[3,4-b]quinoline","","CC1=NN(C2=NC3=C(C=C(C=C3)Cl)C(=C12)C4=CC=CC=C4)C","CTCNIILHJHZTRD-UHFFFAOYSA-N","395679",NA,"PDBC28091","700463","Present"
-"6-Chloro-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","6-Chloro-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","C1C2C(C3=C(O1)C(=CC=C3)Cl)N(N=C2C4=CC=CC=C4)C5=CC=CC=C5","IVBZICOWGJXCMT-UHFFFAOYSA-N","371901",NA,"PDBC28092","646485","Present"
-"6-Chloro-1,4-dimethyl-3-nitro-9H-carbazole","","","","","","","","","","","","","","","","","","","","6-Chloro-1,4-dimethyl-3-nitro-9H-carbazole","","CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)Cl)C)[N+](=O)[O-]","CZVGDUOHOZZHFG-UHFFFAOYSA-N","374604",NA,"PDBC28093","652572","Present"
-"6-Chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","6-Chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)Cl","DOYMANWEFQYWJA-UHFFFAOYSA-N","384821",NA,"PDBC28094","675273","Present"
-"6-Chloro-1-(2-(2-hydroxy-2-methylpropylamino)ethylamino)-4-methyl-9H-thioxanthen-9-one","","","","","","","","","","","","","","","","","","","","6-Chloro-1-(2-(2-hydroxy-2-methylpropylamino)ethylamino)...","","CC1=C2C(=C(C=C1)NCCNCC(C)(C)O)C(=O)C3=C(S2)C=C(C=C3)Cl.Cl","QFVAIFHWNXFWDQ-UHFFFAOYSA-N","24185159",NA,"PDBC28095","38113","Present"
-"6-Chloro-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline","","","","","","","","","","","","","","","","","","","","6-Chloro-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline","","C1CC2=C(C=CC(=C2)Cl)N(C1)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]","MDAGIVJINNGDMN-UHFFFAOYSA-N","380120",NA,"PDBC28096","665522","Present"
-"6-Chloro-1-(4-chloro-2-nitro-phenyl)sulfonyl-3,4-dihydro-2H-quinoline","","","","","","","","","","","","","","","","","","","","6-Chloro-1-[(4-chloro-2-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline","","C1CC2=C(C=CC(=C2)Cl)N(C1)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]","UZUBWOXRZMDGLN-UHFFFAOYSA-N","380122",NA,"PDBC28097","665524","Present"
-"6-Chloro-1-[2-[ethyl(2-hydroxypropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride","","","","","","","","","","","","","","","","","","","","Thioxanthen-9-one, 6-chloro-1-[2-[ethyl(2-hydroxypropyl)...","","CCN(CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)CC(C)O.Cl","QNIYRMGPLUOPSB-UHFFFAOYSA-N","21144137",NA,"PDBC28098","15794","Present"
-"6-Chloro-1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride","","","","","","","","","","","","","","","","","","","","6-Chloro-1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride","","CCN(CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)CC(C)(C)O.Cl","LRMGFZIKMBRTFB-UHFFFAOYSA-N","24182355",NA,"PDBC28099","15795","Present"
-"6-Chloro-1-[3-(dimethylamino)propyl]-1H-pyrazolo[3,4-b]quinoxalin-3-amine","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4-b]quinoxaline-1-propanamine, 3-amino-6-c...","","CN(C)CCCN1C2=NC3=C(C=C(C=C3)Cl)N=C2C(=N1)N","UKBWRQMUGFPSPC-UHFFFAOYSA-N","395034",NA,"PDBC28100","699218","Present"
-"6-Chloro-1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]oxy]benzotriazole","","","","","","","","","","","","","","","","","","","","6-Chloro-1-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]benzotriazole","","CC1(OCC(O1)C2C3C(C(O2)ON4C5=C(C=CC(=C5)Cl)N=N4)OC(O3)(C)C)C","OWFNLJGMWFESNL-UHFFFAOYSA-N","330482",NA,"PDBC28101","319112","Present"
-"6-Chloro-1-methyl-2-(5-nitro-2-thienyl)-1,2,3,4-tetrahydroquinazolin-4-one","","","","","","","","","","","","","","","","","","","","6-Chloro-1-methyl-2-(5-nitro-2-thienyl)-1,2,3,4-tetrahydroquinazolin-4-one","","CN1C(NC(=O)C2=C1C=CC(=C2)Cl)C3=CC=C(S3)[N+](=O)[O-]","HXRSSUHPZPMTAE-UHFFFAOYSA-N","328915",NA,"PDBC28102","309879","Present"
-"6-Chloro-1-methyl-3,4-diphenyl-1H-pyrazolo[3,4-b]quinoline","","","","","","","","","","","","","","","","","","","","6-Chloro-1-methyl-3,4-diphenyl-1H-pyrazolo[3,4-b]quinoline","","CN1C2=NC3=C(C=C(C=C3)Cl)C(=C2C(=N1)C4=CC=CC=C4)C5=CC=CC=C5","IOCZGUZIDAVUOA-UHFFFAOYSA-N","394794",NA,"PDBC28103","698581","Present"
-"6-Chloro-13,13a-dihydro-9H-[1,3]thiazolo[4,3-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepine-9-thione","","","","","","","","","","","","","","","","","","","","16-Chloro-9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaene-12-thione","","C1C2C3=NN=CN3C4=C(C=CC(=C4)Cl)C(=S)N2CS1","UBQPVFVEVXBWGL-UHFFFAOYSA-N","388518",NA,"PDBC28104","683502","Present"
-"6-Chloro-2'-oxospiro[1,3-dihydrobenzimidazole-2,3'-1H-indole]-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Chloro-2'-oxospiro[1,3-dihydrobenzimidazole-2,3'-1H-indole]-4-carboxylic acid","","C1=CC=C2C(=C1)C3(C(=O)N2)NC4=CC(=CC(=C4N3)C(=O)O)Cl","VAOMJLCKEPRMGO-UHFFFAOYSA-N","396666",NA,"PDBC28105","703180","Present"
-"6-Chloro-2,3-dihydro-2-(1-naphthalenyl)-4(1H)-quinazolinone","","","","","","","","","","","","","","","","","","","","4(1H)-Quinazolinone, 6-chloro-2,3-dihydro-2-(1-naphthale...","","C1=CC=C2C(=C1)C=CC=C2C3NC4=C(C=C(C=C4)Cl)C(=O)N3","ZGIFEPWYKKDPTK-UHFFFAOYSA-N","300573",NA,"PDBC28106","175636","Present"
-"6-Chloro-2,3-dimethyl-9-oxo-10H-acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","6-Chloro-2,3-dimethyl-9-oxo-10H-acridine-4-carboxamide","","CC1=CC2=C(C(=C1C)C(=O)N)NC3=C(C2=O)C=CC(=C3)Cl","YTXWKSJNGINHII-UHFFFAOYSA-N","438264",NA,"PDBC28107","629796","Present"
-"6-Chloro-2,3-dimethyl-9-oxo-10H-acridine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Chloro-2,3-dimethyl-9-oxo-10H-acridine-4-carboxylic acid","","CC1=CC2=C(C(=C1C)C(=O)O)NC3=C(C2=O)C=CC(=C3)Cl","NGCZBQCMFLUJDJ-UHFFFAOYSA-N","438223",NA,"PDBC28108","625962","Present"
-"6-Chloro-2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene","","","","","","","","","","","","","","","","","","","","6-Chloro-2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene","","COC1=C(C=C(C=C1)C2C(=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-])OC","JVADFMNGKNKTEX-UHFFFAOYSA-N","381495",NA,"PDBC28109","668217","Present"
-"6-Chloro-2-(4-chlorophenyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","ZX-AH006704","","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)Cl)Cl","CWLKFFOXFNQDQP-UHFFFAOYSA-N","376348",NA,"PDBC28110","657180","Present"
-"6-Chloro-2-(4-chlorophenyl)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","6-chloro-2-(4-chlorophenyl)-~{N}-[4-(2-chlorophenyl)thia...","","C1=CC=C(C(=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Cl)Cl","QCAWZOUFQJHHRL-UHFFFAOYSA-N","155810497",NA,"PDBC28111","797698","Present"
-"6-Chloro-2-(4-chlorophenylsulfonyl)-7-cyano-1,-dioxo-3-(ph enylimino)-2,3-dihydro-1,4,2-benzodithiazine","","","","","","","","","","","","","","","","","","","","6-Chloro-2-(4-chlorophenylsulfonyl)-7-cyano-1,1,-dioxo-3...","","C1=CC=C(C=C1)N=C2N(S(=O)(=O)C3=C(S2)C=C(C(=C3)C#N)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl","RKVBYVZTYKGNBD-UHFFFAOYSA-N","24205032",NA,"PDBC28112","734036","Present"
-"6-Chloro-2-(4-fluoro-phenyl)-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","6-Chloro-2-(4-fluorophenyl)-1,8-naphthyridin-4(1h)-one","","C1=CC(=CC=C1C2=CC(=O)C3=C(N2)N=CC(=C3)Cl)F","UHXBIVBUQZJQAF-UHFFFAOYSA-N","386580",NA,"PDBC28113","679028","Present"
-"6-Chloro-2-(4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","6-Chloro-2-(4-hydroxyphenyl)benzothiazole","","C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)Cl)O","QIJDOTQHLPVBCS-UHFFFAOYSA-N","405001",NA,"PDBC28114","721655","Present"
-"6-Chloro-2-(4-methoxyphenyl)-3-nitro-2H-chromene","","","","","","","","","","","","","","","","","","","","Maybridge1_007280","","COC1=CC=C(C=C1)C2C(=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]","QLARABZDRDELKD-UHFFFAOYSA-N","381072",NA,"PDBC28115","667222","Present"
-"6-Chloro-2-(4-methyl-piperazin-1-ylmethyl)-4-phenyl-quinoline-3-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","6-chloro-2-(4-methyl-piperazin-1-ylmethyl)-4-phenyl-quin...","","CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1CN3CCN(CC3)C)C4=CC=CC=C4","FMTSJDAKXOSBJL-UHFFFAOYSA-N","54613199",NA,"PDBC28116","748519","Present"
-"6-Chloro-2-(4-methylphenyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","STL374141","","CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl","BEBJOHXTHXVKKG-UHFFFAOYSA-N","376347",NA,"PDBC28117","657179","Present"
-"6-Chloro-2-(4-nitrophenyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","QKNRQPCMOBTDIW-UHFFFAOYSA-N","","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-]","QKNRQPCMOBTDIW-UHFFFAOYSA-N","376352",NA,"PDBC28118","657184","Present"
-"6-Chloro-2-(4-nitrophenyl)quinazolin-4-ol","","","","","","","","","","","","","","","","","","","","6-Chloro-2-(4-nitrophenyl)quinazolin-4(1H)-one","","C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=O)N2)[N+](=O)[O-]","ABGDPSCFQOVRGG-UHFFFAOYSA-N","135439371",NA,"PDBC28119","626522","Present"
-"6-Chloro-2-(chloromethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","6-Chloro-2-(chloromethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","CC1=C(C(=O)N2C(=N1)SC(=N2)CCl)Cl","MJLAHAYNUHEFKW-UHFFFAOYSA-N","385796",NA,"PDBC28120","677190","Present"
-"6-Chloro-2-(cyclopentylmethyl)-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","6-Chloro-2-(cyclopentylmethyl)-1H-benzimidazole","","C1CCC(C1)CC2=NC3=C(N2)C=C(C=C3)Cl","PSYAGTZLFAPDAA-UHFFFAOYSA-N","401641",NA,"PDBC28121","715343","Present"
-"6-Chloro-2-[2-[2-(6-chloro-1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","6-Chloro-2-[2-[2-(6-chloro-1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole","","C1=CC2=C(C=C1Cl)NC(=N2)CCSCCC3=NC4=C(N3)C=C(C=C4)Cl","NFKKHKIKWARUMO-UHFFFAOYSA-N","363513",NA,"PDBC28122","628445","Present"
-"6-Chloro-2-[3-[4-[3-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","6-Chloro-2-[3-[4-[3-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione","","C1CN(CCN1CCCN2C(=O)C3=C4C(=C(C=C3)Cl)C=CC=C4C2=O)CCCN5C(=O)C6=C7C(=C(C=C6)Cl)C=CC=C7C5=O","DYZWWNMXKDIBTN-UHFFFAOYSA-N","364090",NA,"PDBC28123","629731","Present"
-"6-Chloro-2-benzoxazolinone","","","","","","","","","","","","","","","","","","","","NSC664284","","C1=CC2=C(C=C1Cl)OC(=O)N2","MATCZHXABVLZIE-UHFFFAOYSA-N","29858",NA,"PDBC28124","664284","Present"
-"6-Chloro-2-cyclohexyl-4-quinazolinol","","","","","","","","","","","","","","","","","","","","GINVXGSOAIDYEN-UHFFFAOYSA-N","","C1CCC(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2","GINVXGSOAIDYEN-UHFFFAOYSA-N","135414731",NA,"PDBC28125","626525","Present"
-"6-Chloro-2-imino-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","HTS028467","","C1=CC2=C(C=C1Cl)C=C(C(=N)O2)C(=O)N","CEYNZSGQXWUTGS-UHFFFAOYSA-N","395948",NA,"PDBC28126","701072","Present"
-"6-Chloro-2-imino-N-phenyl-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","STL135827","","C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N","ORUVNCNNXWPLIQ-UHFFFAOYSA-N","389250",NA,"PDBC28127","685003","Present"
-"6-Chloro-2-methoxy-9-(2-methyl-4-nitro-phenyl)sulfanyl-acridine","","","","","","","","","","","","","","","","","","","","6-Chloro-2-methoxy-9-[(2-methyl-4-nitrophenyl)sulfanyl]acridine","","CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC","AIGSGQCDBBCEAL-UHFFFAOYSA-N","371146",NA,"PDBC28128","645150","Present"
-"6-Chloro-2-methoxy-9-(2-nitrophenyl)sulfanyl-acridine","","","","","","","","","","","","","","","","","","","","6-Chloro-2-methoxy-9-[(2-nitrophenyl)sulfanyl]acridine","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)SC4=CC=CC=C4[N+](=O)[O-]","WPNFXZXCEGGGHQ-UHFFFAOYSA-N","371145",NA,"PDBC28129","645149","Present"
-"6-Chloro-2-methoxy-9-(4-nitrophenyl)sulfanyl-acridine","","","","","","","","","","","","","","","","","","","","6-Chloro-2-methoxy-9-[(4-nitrophenyl)sulfanyl]acridine","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)SC4=CC=C(C=C4)[N+](=O)[O-]","ONFACZBYJYEOFX-UHFFFAOYSA-N","371144",NA,"PDBC28130","645148","Present"
-"6-Chloro-2-methoxy-9-[(5-piperidinopentyl)amino]acridine","","","","","","","","","","","","","","","","","","","","6-CHLORO-2-METHOXY-9-[(5-PIPERIDINOPENTYL)AMINO]ACRIDINE","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCN4CCCCC4","MRDUIMWRCOBGBZ-UHFFFAOYSA-N","219600",NA,"PDBC28131","1063","Present"
-"6-Chloro-2-methyl-1H-benzimidazol-5-amine","","","","","","","","","","","","","","","","","","","","Benzimidazole, 6-amino-5-chloro-2-methyl-","","CC1=NC2=C(N1)C=C(C(=C2)N)Cl","FXXPQDILKKBPOZ-UHFFFAOYSA-N","355712",NA,"PDBC28132","609818","Present"
-"6-Chloro-2-phenyl-3H-quinazolin-4-one;hydrochloride","","","","","","","","","","","","","","","","","","","","6-Chloro-2-phenyl-4-quinazolinol hydrochloride","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2.Cl","VORHAFVHCJVLIL-UHFFFAOYSA-N","135488942",NA,"PDBC28133","626521","Present"
-"6-Chloro-2-pyridin-2-yl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","6-Chloro-2-pyridin-2-yl-1H-quinolin-4-one","","C1=CC=NC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)Cl","COWYBWWMAYMRFL-UHFFFAOYSA-N","372262",NA,"PDBC28134","647318","Present"
-"6-Chloro-3'-methylene-spiro[chromane-4,5'-tetrahydrofuran]-2'-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3'-methylidenespiro[2,3-dihydrochromene-4,5'-oxolane]-2'-one","","C=C1CC2(CCOC3=C2C=C(C=C3)Cl)OC1=O","CTSKKPHXSRUMRY-UHFFFAOYSA-N","323667",NA,"PDBC28135","286122","Present"
-"6-Chloro-3,5-dimethylisothiazolo[4,5-c]pyridin-4(5H)-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3,5-dimethylisothiazolo[4,5-c]pyridin-4(5H)-one","","CC1=NSC2=C1C(=O)N(C(=C2)Cl)C","ISZGIUGWBZEQNY-UHFFFAOYSA-N","373154",NA,"PDBC28136","649095","Present"
-"6-Chloro-3-((4Z)-6,8-dichloro-3-methyl-4-{[(4-methylphenyl)sulfonyl]hydrazono}-4H-benzopyran-2-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6-Chloro-3-[(4E)-6,8-dichloro-3-methyl-4-[(4-methylphenyl)sulfonylhydrazinylidene]chromen-2-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2C(=C(OC3=C2C=C(C=C3Cl)Cl)C4=NS(=O)(=O)C5=CC(=C(C=C5N4)Cl)S(=O)(=O)N)C","SXDWGDXPHLJPKT-MWAVMZGNSA-N","9571342",NA,"PDBC28137","646778","Present"
-"6-Chloro-3-(2,2-dimethylhydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(2,2-dimethylhydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NN(C)C","YYWIOLYKBZKQCH-UHFFFAOYSA-N","378493",NA,"PDBC28138","661093","Present"
-"6-Chloro-3-(2-(2,4-dichlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(2-(2,4-dichlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=C(C=C(C=C3)Cl)Cl)O)Cl","OHYRTGIXLQIRTN-UHFFFAOYSA-N","366714",NA,"PDBC28139","635430","Present"
-"6-Chloro-3-(2-(4,5-dihydro-1H-imidazol-2-yl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(2-(4,5-dihydro-1H-imidazol-2-yl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC3=NCCN3","RYVONGQQONGTLC-UHFFFAOYSA-N","378498",NA,"PDBC28140","661098","Present"
-"6-Chloro-3-(2-(4-(hydroxy(oxido)amino)phenyl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(2-(4-(hydroxy(oxido)amino)phenyl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC3=CC=C(C=C3)[N+](=O)[O-]","OYSJSPVELGTYQZ-UHFFFAOYSA-N","3785334",NA,"PDBC28141","661097","Present"
-"6-Chloro-3-(2-(4-chlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(2-(4-chlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one","","CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)Cl)O)Cl","VASQUNWADQAPIT-UHFFFAOYSA-N","366699",NA,"PDBC28142","635416","Present"
-"6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline","","C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=CC=C4Cl)Cl","YQUDGSHPAMOICU-UHFFFAOYSA-N","326313",NA,"PDBC28143","297353","Present"
-"6-Chloro-3-(2-methoxyphenyl)-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6-chloro-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxybenzylth...","","COC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC4=CC(=C(C(=C4)OC)OC)OC","DUJBUCBNOHHZLF-UHFFFAOYSA-N","134147155",NA,"PDBC28144","764232","Present"
-"6-Chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carbonitrile 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carbonitrile 1,1-dioxide","","CNNC1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C#N)Cl","UFUUSIZLRXMOHN-UHFFFAOYSA-N","378496",NA,"PDBC28145","661096","Present"
-"6-Chloro-3-(3,4-dichlorobenzoyl)-7-methyl-2,3-dihydro-1,1-dioxo-1,4,2-benzodithiazine","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(3,4-dichlorobenzoyl)-7-methyl-1,1-dioxo-2,3-...","","CC1=CC2=C(C=C1Cl)SC(NS2(=O)=O)C(=O)C3=CC(=C(C=C3)Cl)Cl","PCOWAPVQYNMIMP-UHFFFAOYSA-N","24206084",NA,"PDBC28146","740021","Present"
-"6-Chloro-3-(4-chlorophenylimino)-7-methyl-2-(phenylsulfonyl)-1,3-dihydro-1,4,2-benzodithiazine","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(4-chlorophenylimino)-7-methyl-2-(phenylsulfo...","","CC1=CC2=C(C=C1Cl)SC(=NC3=CC=C(C=C3)Cl)N(S2(=O)=O)S(=O)(=O)C4=CC=CC=C4","AAYNZZNJVJETRL-UHFFFAOYSA-N","24204334",NA,"PDBC28147","731392","Present"
-"6-Chloro-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)chromen-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2h-chromen-2-one","","C1CN2C(=CSC2=N1)C3=CC4=C(C=CC(=C4)Cl)OC3=O","RAWMPGWEZLGJTF-UHFFFAOYSA-N","403449",NA,"PDBC28148","718316","Present"
-"6-Chloro-3-(6-chloro-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(6-chloro-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one","","C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)C4=C(OC5=C(C4=O)C=C(C=C5)Cl)C6=CC=CC=C6","AGUQXNILTYKIAN-UHFFFAOYSA-N","381597",NA,"PDBC28149","668406","Present"
-"6-Chloro-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-2-one, 6-chloro-3-[6-chloroimidazo[1,2-a...","","C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C3=CN4C=C(C=CC4=N3)Cl","BOGFSYNPPDEDKY-UHFFFAOYSA-N","395978",NA,"PDBC28150","701102","Present"
-"6-Chloro-3-(7-hydroxy-4-oxo-chromene-2-carbonyl)-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide","","","","","","","","","","","","","","","","","","","","6-Chloro-3-(7-hydroxy-4-oxochromene-2-carbonyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide","","C1=CC2=C(C=C1O)OC(=CC2=O)C(=O)C3=NS(=O)(=O)C4=CC(=C(C=C4N3)Cl)S(=O)(=O)N","CLWGBCZPYDLUOV-UHFFFAOYSA-N","5465334",NA,"PDBC28151","646363","Present"
-"6-Chloro-3-[(2-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine","","","","","","","","","","","","","","","","","","","","6-Chloro-3-[(2-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine","","C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=CC=C4F)Cl","SGUFJSRPDLQVAV-UHFFFAOYSA-N","326326",NA,"PDBC28152","297366","Present"
-"6-Chloro-3-[(Z)-[1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-6-chloro-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,...","","COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=C(NC4=C3C=CC(=C4)Cl)O)C=C5C2=NC6=CC=CC=C65","CUGGIQLCNWLSAZ-VKAVYKQESA-N","155814526",NA,"PDBC28153","761849","Present"
-"6-Chloro-3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-6-chloro-3-((2-(3,5-difluorophenyl)-3H-benzo[d]imida...","","C1=CC2=C(C=C1Cl)NC(=C2C=C3C=CC4=NC(=NC4=C3)C5=CC(=CC(=C5)F)F)O","OAQVETYFAXEFTR-WZUFQYTHSA-N","137225059",NA,"PDBC28154","763642","Present"
-"6-Chloro-3-[(Z)-[2-(4-methoxyphenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol","","","","","","","","","","","","","","","","","","","","(Z)-6-chloro-3-((2-(4-methoxyphenyl)-3H-benzo[d]imidazol...","","COC1=CC=C(C=C1)C2=NC3=CC(=CC4=C(NC5=C4C=CC(=C5)Cl)O)C=CC3=N2","KPIFDTPBAKZFHH-RAXLEYEMSA-N","155806854",NA,"PDBC28155","763703","Present"
-"6-Chloro-3-[2-(2-hydroxyethyl)hydrazinyl]-1,1-dioxo-N-phenyl-1lambda6,4,2-benzodithiazine-7-carboxamide","","","","","","","","","","","","","","","","","","","","6-Chloro-3-[2-(2-hydroxyethyl)hydrazinyl]-1,1-dioxo-N-phenyl-1lambda6,4,2-benzodithiazine-7-carboxamide","","C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2Cl)SC(=NS3(=O)=O)NNCCO","OAODQZXTRRMUKF-UHFFFAOYSA-N","393942",NA,"PDBC28156","696914","Present"
-"6-Chloro-3-hydroxy-7-methyl-3-(1-oxo-2,3-dihydro-1H-inden-2-yl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3-hydroxy-7-methyl-3-(1-oxo-2,3-dihydro-1H-inden-2-yl)-1,3-dihydro-2H-indol-2-one","","CC1=C(C=CC2=C1NC(=O)C2(C3CC4=CC=CC=C4C3=O)O)Cl","VVKNTOSRNKHDRO-UHFFFAOYSA-N","366704",NA,"PDBC28157","635421","Present"
-"6-Chloro-3-hydroxy-7-methyl-3-(2-(1-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3-hydroxy-7-methyl-3-(2-(1-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=CC=CC4=CC=CC=C43)O)Cl","GAKDMVPYWBCLCG-UHFFFAOYSA-N","366648",NA,"PDBC28158","635323","Present"
-"6-Chloro-3-hydroxy-7-methyl-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3-hydroxy-7-methyl-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one","","CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=CC4=CC=CC=C4C=C3)O)Cl","YUGRSHNMRUJTHB-UHFFFAOYSA-N","366690",NA,"PDBC28159","635407","Present"
-"6-Chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one","","CC1=C(C=CC2=C1NC(=O)C2(C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O)Cl","WTTVOLUUKVXFHM-UHFFFAOYSA-N","366646",NA,"PDBC28160","635321","Present"
-"6-Chloro-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-2-one, 6-chloro-3-[imidazo[1,2-a]pyridin...","","C1=CC2=NC(=CN2C=C1)C3=CC4=C(C=CC(=C4)Cl)OC3=O","KLGZOTKVIMZRON-UHFFFAOYSA-N","395976",NA,"PDBC28161","701100","Present"
-"6-Chloro-3-methyl-1,4-diphenyl-1H-pyrazolo[3,4-b]quinoline","","","","","","","","","","","","","","","","","","","","6-Chloro-3-methyl-1,4-diphenyl-1H-pyrazolo[3,4-b]quinoline","","CC1=NN(C2=NC3=C(C=C(C=C3)Cl)C(=C12)C4=CC=CC=C4)C5=CC=CC=C5","KGOHKGRCZPJHQC-UHFFFAOYSA-N","394793",NA,"PDBC28162","698580","Present"
-"6-Chloro-3-methyl-2-(4-methyl-1-piperazinyl)-4-phenylquinoline","","","","","","","","","","","","","","","","","","","","6-Chloro-3-methyl-2-(4-methyl-1-piperazinyl)-4-phenylquinoline","","CC1=C(C2=C(C=CC(=C2)Cl)N=C1N3CCN(CC3)C)C4=CC=CC=C4","NZQWFHXJDJCBPA-UHFFFAOYSA-N","494845",NA,"PDBC28163","633851","Present"
-"6-Chloro-3-methyl-2-phenyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","KEXRVLPIWYCEPT-UHFFFAOYSA-N","","CC1=C(NC2=C(C1=O)C=C(C=C2)Cl)C3=CC=CC=C3","KEXRVLPIWYCEPT-UHFFFAOYSA-N","379804",NA,"PDBC28164","664904","Present"
-"6-Chloro-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-Chloro-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","CC1=NN=C2N1N=C(S2)Cl","ZWYWAZVNJOFKJX-UHFFFAOYSA-N","383496",NA,"PDBC28165","671881","Present"
-"6-Chloro-3-oxo-4H-quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","DA-06132","","C1=CC2=C(C=C1Cl)NC(=O)C(=N2)C(=O)O","WETRNHIHKGIDEQ-UHFFFAOYSA-N","387925",NA,"PDBC28166","682230","Present"
-"6-Chloro-3a-(4-chlorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3a-(4-chlorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","C1CC2(NC3=C(N2C1=O)C=CC(=C3)Cl)C4=CC=C(C=C4)Cl","HDXLERUIJIAYIG-UHFFFAOYSA-N","368715",NA,"PDBC28167","639852","Present"
-"6-Chloro-3a-(4-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","","","","","","","","","","","","","","","","","","","6-Chloro-3a-(4-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","C1CC2(NC3=C(N2C1=O)C=CC(=C3)Cl)C4=CC=C(C=C4)F","UVVUUWOPXMLUKL-UHFFFAOYSA-N","368716",NA,"PDBC28168","639853","Present"
-"6-Chloro-4-(1H-imidazol-1-yl)-3-(2-(1H-imidazol-1-yl)ethyl)-2-methylquinoline","","","","","","","","","","","","","","","","","","","","3-(2-(1H-imidazol-1-yl)ethyl)-6-chloro-4-(1H- imidazol-1...","","CC1=C(C(=C2C=C(C=CC2=N1)Cl)N3C=CN=C3)CCN4C=CN=C4","FNILEGFYDPTHBA-UHFFFAOYSA-N","380617",NA,"PDBC28169","666292","Present"
-"6-Chloro-4-(3-fluoro-4-methoxyphenyl)coumarin","","","","","","","","","","","","","","","","","","","","NSC781480","","COC1=C(C=C(C=C1)C2=CC(=O)OC3=C2C=C(C=C3)Cl)F","MPIKMKWERBRKSE-UHFFFAOYSA-N","132961420",NA,"PDBC28170","781480","Present"
-"6-Chloro-4-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-Chloro-4-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine","","C1=C(C=C(C=C1Cl)Cl)NC2=CC(=NC(=N2)N)Cl","AUVRWTGJPUZAMO-UHFFFAOYSA-N","388060",NA,"PDBC28171","682521","Present"
-"6-Chloro-4-N-[(3-methylidenecyclobutyl)methyl]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-Chloro-N~4~-((3-methylenecyclobutyl)methyl)-2,4-pyrimidinediamine","","C=C1CC(C1)CNC2=CC(=NC(=N2)N)Cl","RBQFDJGWIRFXIN-UHFFFAOYSA-N","385218",NA,"PDBC28172","676331","Present"
-"6-Chloro-4-[4-(methylamino)phenyl]coumarin","","","","","","","","","","","","","","","","","","","","NSC781481","","CNC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=C(C=C3)Cl","URDSXUQHONNYSK-UHFFFAOYSA-N","132961421",NA,"PDBC28173","781481","Present"
-"6-Chloro-4-ethoxy-5-iodoquinazoline","","","","","","","","","","","","","","","","","","","","6-Chloro-4-ethoxy-5-iodoquinazoline","","CCOC1=NC=NC2=C1C(=C(C=C2)Cl)I","OHKSFRTUJVDVSH-UHFFFAOYSA-N","374003",NA,"PDBC28174","651043","Present"
-"6-Chloro-4-hydroxypyrimidine","","","","","","","","","","","","","","","","","","","","zlchem 18","","C1=C(N=CNC1=O)Cl","AXFABVAPHSWFMD-UHFFFAOYSA-N","135445478",NA,"PDBC28175","618279","Present"
-"6-Chloro-4-methyl-3-phenylcoumarin","","","","","","","","","","","","","","","","","","","","2H-Benzopyran-2-one,  6-chloro-4-methyl-3-phenyl-","","CC1=C(C(=O)OC2=C1C=C(C=C2)Cl)C3=CC=CC=C3","YMPQQKPMUYROBI-UHFFFAOYSA-N","363710",NA,"PDBC28176","628870","Present"
-"6-Chloro-4-oxido-1,2,4-benzotriazin-4-ium-3-amine","","","","","","","","","","","","","","","","","","","","6-Chloro-4-oxido-1,2,4-benzotriazin-4-ium-3-amine","","C1=CC2=C(C=C1Cl)N(C(=N)N=N2)O","OBFBJIRLMARAEY-UHFFFAOYSA-N","494374",NA,"PDBC28177","617845","Present"
-"6-Chloro-4-oxo-2-phenyl-1H-quinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Chloro-4-oxo-2-phenyl-1,4-dihydroquinoline-3-carbonitrile","","C1=CC=C(C=C1)C2=C(C(=O)C3=C(N2)C=CC(=C3)Cl)C#N","QCENVEJEEISSID-UHFFFAOYSA-N","379806",NA,"PDBC28178","664906","Present"
-"6-Chloro-5,8-dihydroxy-7-(2-hydroxyethylamino)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","6-Chloro-5,8-dihydroxy-7-[(2-hydroxyethyl)amino]naphthalene-1,4-dione","","C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)NCCO)O","OXGFZVBBQWCSJL-UHFFFAOYSA-N","378768",NA,"PDBC28179","661938","Present"
-"6-Chloro-5,8-dihydroxy-7-(4-pyridin-2-ylpiperazin-1-yl)naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","6-Chloro-5,8-dihydroxy-7-[4-(pyridin-2-yl)piperazin-1-yl]naphthalene-1,4-dione","","C1CN(CCN1C2=CC=CC=N2)C3=C(C4=C(C(=O)C=CC4=O)C(=C3Cl)O)O","XWWOYZSQSCVIBQ-UHFFFAOYSA-N","376946",NA,"PDBC28180","658141","Present"
-"6-Chloro-5,8-dihydroxy-7-[2-(2-hydroxyethoxy)ethylamino]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","6-Chloro-5,8-dihydroxy-7-{[2-(2-hydroxyethoxy)ethyl]amino}naphthalene-1,4-dione","","C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)NCCOCCO)O","NMUDEGJESOJBPN-UHFFFAOYSA-N","376281",NA,"PDBC28181","656995","Present"
-"6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","6-Chloro-5,8-dihydroxy-7-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}naphthalene-1,4-dione","","C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","WLAGCDRCPWEGRL-UHFFFAOYSA-N","375897",NA,"PDBC28182","660638","Present"
-"6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;(2R,3R)-2,3-dihydroxybutanedioic acid","","","","","","","","","","","","","","","","","","","","6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;(2R,3R)-2,3-dihydroxybutanedioic acid","","C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.C(C(C(=O)O)O)(C(=O)O)O","QMXNVDPBFJGLCM-LREBCSMRSA-N","378362",NA,"PDBC28183","660637","Present"
-"6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride","","C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl","BQXVHFNAIWSUBW-UHFFFAOYSA-N","375896",NA,"PDBC28184","656209","Present"
-"6-Chloro-5,8-dihydroxy-7-methoxynaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","C11H7ClO5","","COC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl","LHKORPVWCWZALZ-UHFFFAOYSA-N","135409146",NA,"PDBC28185","659996","Present"
-"6-Chloro-5,8-dihydroxy-7-piperazin-1-ylnaphthalene-1,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","6-Chloro-5,8-dihydroxy-7-piperazin-1-ylnaphthalene-1,4-dione;hydrochloride","","C1CN(CCN1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl","YNVBHRWIGRNNLF-UHFFFAOYSA-N","376115",NA,"PDBC28186","656599","Present"
-"6-Chloro-5,8-dihydroxy-7-thiomorpholin-4-ylnaphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","6-Chloro-5,8-dihydroxy-7-(thiomorpholin-4-yl)naphthalene-1,4-dione","","C1CSCCN1C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","KLEVDRNNFDZMJN-UHFFFAOYSA-N","378630",NA,"PDBC28187","661422","Present"
-"6-Chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-5-[2-(1H-imidazol-1-yl)ethyl]-1,3-dihydro-2H-in...","","C1C2=CC(=C(C=C2NC1=O)Cl)CCN3C=CN=C3","UDWUEJXOTFSYOQ-UHFFFAOYSA-N","134140653",NA,"PDBC28188","762887","Present"
-"6-Chloro-5-(2-piperazin-1-YL-ethyl)-1,3-dihydro-indol-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-5-[2-(piperazin-1-yl)ethyl]-1,3-dihydro-2H-indo...","","C1CN(CCN1)CCC2=C(C=C3C(=C2)CC(=O)N3)Cl","LLNIWWGUWKFGLE-UHFFFAOYSA-N","22181640",NA,"PDBC28189","762889","Present"
-"6-Chloro-5-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-Chloro-5-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine","","COC1=CC(=CC(=C1)N2CCC(CC2)C3=C(N=C(N=C3Cl)N)N)OC","AIVDPXZGGSQMIY-UHFFFAOYSA-N","360768",NA,"PDBC28190","623108","Present"
-"6-Chloro-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-dihydroindol-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-5-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1,3-dihydro-...","","C1C2=CC(=C(C=C2NC1=O)Cl)CCN3C=NC=N3","LMOJFGDZJFEWEA-UHFFFAOYSA-N","134141691",NA,"PDBC28191","762888","Present"
-"6-Chloro-5-fluoro-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole","","","","","","","","","","","","","","","","","","","","1H-Benzimidazole, 5-chloro-6-fluoro-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-","","CN1C=NC(=C1SC2=NC3=CC(=C(C=C3N2)F)Cl)[N+](=O)[O-]","OFMFRGVLOPNLFM-UHFFFAOYSA-N","364604",NA,"PDBC28192","631132","Present"
-"6-Chloro-5-imino-N-(2-thienylmethyl)-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-Chloro-5-imino-N-(2-thienylmethyl)-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxamide","","C1=CC2=C(C(=C1)Cl)C(=NC3=C(N=NN23)C(=O)NCC4=CC=CS4)N","PWMBWOOHLHUHJZ-UHFFFAOYSA-N","342587",NA,"PDBC28193","379640","Present"
-"6-Chloro-5-iodo-4(4aH)-quinazolinone","","","","","","","","","","","","","","","","","","","","6-Chloro-5-iodo-4(4aH)-quinazolinone","","C1=CC(=C(C2C1=NC=NC2=O)I)Cl","VETDWNNPSDNIPZ-UHFFFAOYSA-N","374002",NA,"PDBC28194","651042","Present"
-"6-Chloro-5-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide","","","","","","","","","","","","","","","","","","","","6-Chloro-5-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide","","CC1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2","UNUUPKIWWPPKGU-UHFFFAOYSA-N","5351722",NA,"PDBC28195","25861","Present"
-"6-Chloro-5-phenyl-7-(trifluoromethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one","","","","","","","","","","","","","","","","","","","","6-Chloro-5-phenyl-7-(trifluoromethyl)-1h-oxazolo[4,5-e]pyridin-2-one","","C1=CC=C(C=C1)C2=C(C(=C3C(=N2)OC(=O)N3)C(F)(F)F)Cl","RHHQGHLNNXQVTC-UHFFFAOYSA-N","397735",NA,"PDBC28196","706158","Present"
-"6-Chloro-7-(Propargyloxymethyl)purine","","","","","","","","","","","","","","","","","","","","6-Chloro-7-(Propargyloxymethyl)purine","","C#CCOCN1C=NC2=C1C(=NC=N2)Cl","QZMSXWGOYGLXHP-UHFFFAOYSA-N","365493",NA,"PDBC28197","633127","Present"
-"6-Chloro-7-N-(2-fluoroethylamino)-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","6-Chloro-7-N-(2-fluoroethylamino)-5,8-quinolinedione","","C1=CC2=C(C(=O)C(=C(C2=O)Cl)NCCF)N=C1","LZEPICGOABXQOY-UHFFFAOYSA-N","379084",NA,"PDBC28198","663292","Present"
-"6-Chloro-7-N-(4-hexoxyanilino)-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","6-Chloro-7-N-(4-hexoxyanilino)-5,8-quinolinedione","","CCCCCCOC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl","MEGQGRDKTAMKGE-UHFFFAOYSA-N","379075",NA,"PDBC28199","663282","Present"
-"6-Chloro-7-[2-(dimethylamino)ethylamino]-5,8-dihydroxynaphthalene-1,4-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","6-Chloro-7-[2-(dimethylamino)ethylamino]-5,8-dihydroxynaphthalene-1,4-dione;hydrochloride","","CN(C)CCNC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O.Cl","YESQUZBORKHFRO-UHFFFAOYSA-N","377696",NA,"PDBC28200","659287","Present"
-"6-Chloro-7-[4'-(pyridyl)piperazino]-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","6-Chloro-7-[4'-(pyridyl)piperazino]-5,8-quinolinedione","","C1CN(CCN1C2=CC=CC=N2)C3=C(C(=O)C4=C(C3=O)N=CC=C4)Cl","RKFBAYFKEIDQFV-UHFFFAOYSA-N","379873",NA,"PDBC28201","665033","Present"
-"6-Chloro-7-[bis-(2-chloroethoxy)amino]naphthazarin","","","","","","","","","","","","","","","","","","","","6-Chloro-7-[bis-(2-chloroethoxy)amino]naphthazarin","","C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)N(CCCl)CCCl)O","VKJVVZBPJMASCF-UHFFFAOYSA-N","378772",NA,"PDBC28202","661942","Present"
-"6-Chloro-7-iodo-1H-indole-2,3-dione","","","","","","","","","","","","","","","","","","","","6-Chloro-7-iodo-1H-indole-2,3-dione","","C1=CC(=C(C2=C1C(=O)C(=O)N2)I)Cl","HQXATBPXCFHSDG-UHFFFAOYSA-N","373999",NA,"PDBC28203","651039","Present"
-"6-Chloro-7-methyl-3-(2-methylhydrazino)-1,4,2-benzodithiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6-Chloro-7-methyl-3-(2-methylhydrazino)-1,4,2-benzodithiazine 1,1-dioxide","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC","PGVNWVQAFNZAMJ-UHFFFAOYSA-N","378494",NA,"PDBC28204","661094","Present"
-"6-Chloro-7-methyl-3-(2-quinoxalin-2-ylhydrazino)benzo[e]1,4,2-dithiazine-1,1-dione","","","","","","","","","","","","","","","","","","","","6-Chloro-7-methyl-3-(2-quinoxalin-2-ylhydrazino)benzo[e]1,4,2-dithiazine-1,1-dione","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC3=NC4=CC=CC=C4N=C3","DTEIQDMTAPBWNV-UHFFFAOYSA-N","384337",NA,"PDBC28205","674022","Present"
-"6-Chloro-7-methyl-3-(4-methylbenzenesulfonamido)-1,2-benzo dithiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6-chloro-7-methyl-3-(4-methylbenzenesulfonamido)-1,4,2-b...","","CC1=CC=C(C=C1)S(=O)(=O)NC2=NS(=O)(=O)C3=C(S2)C=C(C(=C3)C)Cl","RFZFKSYWGJENKT-UHFFFAOYSA-N","405681",NA,"PDBC28206","723138","Present"
-"6-Chloro-7-phenyl-8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole","","","","","","","","","","","","","","","","","","","","6-chloro-7-phenyl-8-(3,5-dimethoxybenzyl)- 5,8-dihydro-4...","","COC1=CC(=CC(=C1)CN2C3=C(CCC4=C3ON=C4)C(=C2C5=CC=CC=C5)Cl)OC","ANYZWGYCJQGLGF-UHFFFAOYSA-N","60148312",NA,"PDBC28207","754118","Present"
-"6-Chloro-7-{4-[2-(2-hydroxy-ethoxy)-ethyl]-piperazin-1-yl}-quinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","6-Chloro-7-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}quinoline-5,8-dione","","C1CN(CCN1CCOCCO)C2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl","QIBWVZPGFJORRR-UHFFFAOYSA-N","378911",NA,"PDBC28208","662382","Present"
-"6-Chloro-8-(2-nitrophenyl)sulfonyl-1,2,3,4-tetrahydroquinoline","","","","","","","","","","","","","","","","","","","","Quinoline, 6-chloro-1,2,3,4-tetrahydro-8-[(2-nitrophenyl)sulfonyl]-","","C1CC2=C(C(=CC(=C2)Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NC1","XUPBUXBIAOXTEY-UHFFFAOYSA-N","380125",NA,"PDBC28209","665527","Present"
-"6-Chloro-8-(6-chloro-4-oxo-2-phenyl-chromen-8-yl)-2-phenyl-chromen-4-one","","","","","","","","","","","","","","","","","","","","6-Chloro-8-(6-chloro-4-oxo-2-phenyl-chromen-8-yl)-2-phenyl-chromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=CC(=C3)Cl)C4=CC(=CC5=C4OC(=CC5=O)C6=CC=CC=C6)Cl","BWIPFERAULCFAX-UHFFFAOYSA-N","381599",NA,"PDBC28210","668408","Present"
-"6-Chloro-8-(phenylethynyl)-9-(tetrahydro-2h-pyran-2-yl)-9h-purine","","","","","","","","","","","","","","","","","","","","6-Chloro-8-(phenylethynyl)-9-(tetrahydro-2h-pyran-2-yl)-9h-purine","","C1CCOC(C1)N2C(=NC3=C2N=CN=C3Cl)C#CC4=CC=CC=C4","YFGOIPQJDFTUPA-UHFFFAOYSA-N","401176",NA,"PDBC28211","714377","Present"
-"6-Chloro-8-hydroxy-5-quinolinesulfonic acid","","","","","","","","","","","","","","","","","","","","6-Chloro-8-hydroxyquinoline-5-sulfonic acid","","C1=CC2=C(C(=CC(=C2S(=O)(=O)O)Cl)O)N=C1","NAJXFIVUOVYAAE-UHFFFAOYSA-N","395839",NA,"PDBC28212","700842","Present"
-"6-Chloro-8-hydroxyquinoline","","","","","","","","","","","","","","","","","","","","CC-833","","C1=CC2=CC(=CC(=C2N=C1)O)Cl","YFKDOLPRGYKULB-UHFFFAOYSA-N","384162",NA,"PDBC28213","673453","Present"
-"6-Chloro-9-(1-(2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)ethyl)-9H-purin-2-amine","","","","","","","","","","","","","","","","","","","","6-Chloro-9-(1-(2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)ethyl)-9H-purin-2-amine","","CC1=CC=C(C=C1)SCC(CF)OC(C)N2C=NC3=C2N=C(N=C3Cl)N","ISLNYJOKMLBOQG-UHFFFAOYSA-N","382805",NA,"PDBC28214","670533","Present"
-"6-Chloro-9-(12-(6-chloro-9H-purin-9-yl)dodecyl)-9H-purine","","","","","","","","","","","","","","","","","","","","6-Chloro-9-(12-(6-chloro-9H-purin-9-yl)dodecyl)-9H-purine","","C1=NC2=C(C(=N1)Cl)N=CN2CCCCCCCCCCCCN3C=NC4=C3N=CN=C4Cl","PMXBDQBVDBOBOZ-UHFFFAOYSA-N","374881",NA,"PDBC28215","653417","Present"
-"6-Chloro-9-(2-methoxyethyl)-N-phenyl-9H-purin-2-amine","","","","","","","","","","","","","","","","","","","","6-Chloro-9-(2-methoxyethyl)-N-phenyl-9H-purin-2-amine","","COCCN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3","WAWONNQXJNMTHQ-UHFFFAOYSA-N","385892",NA,"PDBC28216","677293","Present"
-"6-Chloro-9-(4-p-tolyloxy-5-p-tolyloxymethyl-tetrahydro-furan-2-yl)-9H-purine","","","","","","","","","","","","","","","","","","","","NSC685827///9H-Purine, 6-chloro- 9-[2-deoxy-3,5-O-bis(4-methylphenyl...","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=CN=C4Cl)OC5=CC=C(C=C5)C","PKEBFWDTGKVWKA-UHFFFAOYSA-N","389530",NA,"PDBC28217","685827///685829","Present"
-"6-Chloro-9-(prop-2-ynoxymethyl)purine","","","","","","","","","","","","","","","","","","","","6-Chloro-9-(proparglyoxymethyl)purine","","C#CCOCN1C=NC2=C1N=CN=C2Cl","LBZYMHZPMIJSQW-UHFFFAOYSA-N","365494",NA,"PDBC28218","633128","Present"
-"6-Chloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purin-2-amine","","","","","","","","","","","","","","","","","","","","6-Chloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purin-2-amine","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)N)OC5=CC=C(C=C5)C","SVNDYEFTLZCTEX-UHFFFAOYSA-N","389511",NA,"PDBC28219","685798","Present"
-"6-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","6-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)Cl)C","UHYNFRILRIDOCV-UHFFFAOYSA-N","365426",NA,"PDBC28220","633046","Present"
-"6-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","6-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)Cl)C","NOTXHJJZOBYGHI-UHFFFAOYSA-N","365404",NA,"PDBC28221","633024","Present"
-"6-Chloro-9-[5-(diethylamino)pentan-2-ylamino]acridin-2-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","6-Chloro-9-[5-(diethylamino)pentan-2-ylamino]acridin-2-ol;hydrochloride","","CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)O.Cl","CPISHJJVECCICH-UHFFFAOYSA-N","24188580",NA,"PDBC28222","77643","Present"
-"6-Chloro-9-[[2-(chloromethyl)phenyl]methyl]purine","","","","","","","","","","","","","","","","","","","","NSC733888","","C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3Cl)CCl","CVDHPMAOKRJQPH-UHFFFAOYSA-N","24204975",NA,"PDBC28223","733888","Present"
-"6-Chloro-9-[[3-(chloromethyl)-2,4,6-trimethylphenyl]methyl]purine","","","","","","","","","","","","","","","","","","","","6-Chloro-9-[[3-(chloromethyl)-2,4,6-trimethylphenyl]methyl]purine","","CC1=CC(=C(C(=C1CN2C=NC3=C2N=CN=C3Cl)C)CCl)C","IQGGXLREDJRWQF-UHFFFAOYSA-N","24204509",NA,"PDBC28224","732090","Present"
-"6-Chloro-9-[[3-(chloromethyl)phenyl]methyl]purine","","","","","","","","","","","","","","","","","","","","NSC733885","","C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=CN=C3Cl","VNNWFAAEYXWINT-UHFFFAOYSA-N","24204973",NA,"PDBC28225","733885","Present"
-"6-Chloro-9-[[4-(chloromethyl)phenyl]methyl]purine","","","","","","","","","","","","","","","","","","","","6-Chloro-9-[[4-(chloromethyl)phenyl]methyl]purine","","C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3Cl)CCl","WLJFOTSEPCLQLR-UHFFFAOYSA-N","24204347",NA,"PDBC28226","731409","Present"
-"6-Chloro-9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine","","","","","","","","","","","","","","","","","","","","6-Chloro-9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine","","C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3Cl)C4=CC=C(C=C4)CCl","WJCRSRKYZYMZJT-UHFFFAOYSA-N","24204346",NA,"PDBC28227","731408","Present"
-"6-Chloro-9-oxo-2,3-diphenyl-10H-acridine-4-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Chloro-9-oxo-2,3-diphenyl-10H-acridine-4-carbonitrile","","C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C(=O)C4=C(N3)C=C(C=C4)Cl)C#N)C5=CC=CC=C5","UIRXGCRNDNYIMZ-UHFFFAOYSA-N","367598",NA,"PDBC28228","637430","Present"
-"6-Chloro-9-thioxo-13,13a-dihydro-9H-[1,2,4]oxadiazolo[4,3-a][1,3]thiazolo[4,3-c][1,4]benzodiazepin-3-one","","","","","","","","","","","","","","","","","","","","16-Chloro-12-sulfanylidene-4-oxa-9-thia-2,5,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),5,14,16-tetraen-3-one","","C1C2C3=NOC(=O)N3C4=C(C=CC(=C4)Cl)C(=S)N2CS1","FBJOAKRURSFJDI-UHFFFAOYSA-N","388517",NA,"PDBC28229","683501","Present"
-"6-Chloro-9H-purine-2-sulfonic acid dimethylamide","","","","","","","","","","","","","","","","","","","","AC-17213","","CN(C)S(=O)(=O)C1=NC2=C(C(=N1)Cl)NC=N2","UPBVWCOGFNJEGE-UHFFFAOYSA-N","5351836",NA,"PDBC28230","57788","Present"
-"6-Chloro-N'-(6-chloro-3-methylsulfanyl-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carbonyl)-N'-methyl-3-methylsulfanyl-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carbohydrazide","","","","","","","","","","","","","","","","","","","","6-Chloro-N'-(6-chloro-3-methylsulfanyl-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carbonyl)-N'-methyl-3-methylsulfanyl-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carbohydrazide","","CN(C(=O)C1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)SC)NC(=O)C3=CC4=C(C=C3Cl)SC(=NS4(=O)=O)SC","IMAJQEWAEHPEPZ-UHFFFAOYSA-N","378502",NA,"PDBC28231","661102","Present"
-"6-Chloro-N,N-bis(2-chloroethyl)-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine","","","","","","","","","","","","","","","","","","","","6-Chloro-N,N-bis(2-chloroethyl)-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine","","C1=CC2=C(C=C1Cl)C(OP(=O)(O2)N(CCCl)CCCl)C(Cl)(Cl)Cl","CNHAOASKKIUHJG-UHFFFAOYSA-N","382840",NA,"PDBC28232","670669","Present"
-"6-Chloro-N-(2-dimethylaminoethyl)-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","6-Chloro-N-[2-(dimethylamino)ethyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NCCN(C)C)Cl)C","ZCFBPOGNDPZKBT-UHFFFAOYSA-N","365175",NA,"PDBC28233","632385","Present"
-"6-Chloro-N-(3,4-dichlorobenzyl)-9H-purin-2-amine","","","","","","","","","","","","","","","","","","","","6-Chloro-N-(3,4-dichlorobenzyl)-9H-purin-2-amine","","C1=CC(=C(C=C1CNC2=NC3=C(C(=N2)Cl)NC=N3)Cl)Cl","DZNVGQAAKORXOW-UHFFFAOYSA-N","5466238",NA,"PDBC28234","682513","Present"
-"6-Chloro-N-(3,4-dichlorophenyl)-9H-purin-2-amine","","","","","","","","","","","","","","","","","","","","6-Chloro-N-(3,4-dichlorophenyl)-9H-purin-2-amine","","C1=CC(=C(C=C1NC2=NC3=C(C(=N2)Cl)NC=N3)Cl)Cl","FSUMTLVROIWCNP-UHFFFAOYSA-N","5466206",NA,"PDBC28235","681690","Present"
-"6-Chloro-N-(3,5-dichlorophenyl)-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purin-2-amine","","","","","","","","","","","","","","","","","","","","6-Chloro-N-(3,5-dichlorophenyl)-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purin-2-amine","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)NC5=CC(=CC(=C5)Cl)Cl)OC6=CC=C(C=C6)C","JRAABYSHCFJKSR-UHFFFAOYSA-N","389529",NA,"PDBC28236","685822","Present"
-"6-Chloro-N-(3-chloro-4-fluorophenyl)-9H-purin-2-amine","","","","","","","","","","","","","","","","","","","","6-Chloro-N-(3-chloro-4-fluorophenyl)-9H-purin-2-amine","","C1=CC(=C(C=C1NC2=NC3=C(C(=N2)Cl)NC=N3)Cl)F","OOVQBOQEDPRQDP-UHFFFAOYSA-N","5466331",NA,"PDBC28237","685826","Present"
-"6-Chloro-N-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)hydrazinyl]-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carboxamide","","","","","","","","","","","","","","","","","","","","6-Chloro-N-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)hydrazinyl]-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carboxamide","","C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2Cl)SC(=NS3(=O)=O)NNCCO)Cl","WITASGVOQSNXIM-UHFFFAOYSA-N","393943",NA,"PDBC28238","696915","Present"
-"6-Chloro-N-(7-chloro-4-methyl-1,2,4-benzothiadiazin-3-yl)nicotinamide","","","","","","","","","","","","","","","","","","","","6-chloro-N-(7-chloro-4-methyl-1,1-dioxido-4H-1,2,4-benzo...","","CN1C2=C(C=C(C=C2)Cl)S(=O)(=O)N=C1NC(=O)C3=CN=C(C=C3)Cl","PWFVMDAUMCXIRF-UHFFFAOYSA-N","15955472",NA,"PDBC28239","740557","Present"
-"6-Chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","6-Chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine","","C1=CC=C(C=C1)C(=NNC2=CC(=NC=N2)Cl)C3=NC=CC=N3","MLKCLHWCFALDKM-HMAPJEAMSA-N","5893153",NA,"PDBC28240","693624","Present"
-"6-Chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","6-Chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC(=C1)Cl)C=CC(=N2)C3=CC=CC=C3.Cl","MYWVAVIOTXBDNC-UHFFFAOYSA-N","358086",NA,"PDBC28241","617936","Present"
-"6-Chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","6-Chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3Cl.Cl","PWBWHUGANHJFAK-UHFFFAOYSA-N","358158",NA,"PDBC28242","617980","Present"
-"6-Chloro-N-cyclohexyl-2-imino-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","STK460988","","C1CCC(CC1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N","AYFRHFDLBLWNLH-UHFFFAOYSA-N","395956",NA,"PDBC28243","701080","Present"
-"6-Chloroflavone","","","","","","","","","","","","","","","","","","","","NSC621450","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl","IFNDLWHUYFSXBK-UHFFFAOYSA-N","248021",NA,"PDBC28244","621450","Present"
-"6-Chloromethyl-2-oxo-2H-1-benzopyran-3-carboxylic acid 3-chlorophenyl ester","","","","","","","","","","","","","","","","","","","","6-Chloromethyl-2-oxo-2H-1-benzopyran-3-carboxylic acid 3-chlorophenyl ester","","C1=CC(=CC(=C1)Cl)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","RYPFJZFYKSGHCI-UHFFFAOYSA-N","402516",NA,"PDBC28245","716542","Present"
-"6-Chloromethyl-N-(1-piperidinyl)-2-oxo-2H-1-benzopyran-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-Chloromethyl-N-(1-piperidinyl)-2-oxo-2H-1-benzopyran-3-carboxamide","","C1CCN(CC1)NC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","QQWIDZJYWDWHGH-UHFFFAOYSA-N","402504",NA,"PDBC28246","716530","Present"
-"6-Chloropyridin-2-ol","","","","","","","","","","","","","","","","","","","","6-chloro-2-pyridone","","C1=CC(=O)NC(=C1)Cl","CLNNBQDAAGDAHI-UHFFFAOYSA-N","85621",NA,"PDBC28247","148331","Present"
-"6-Chlorotetrazolo[1,5-b]pyridazine","","","","","","","","","","","","","","","","","","","","6-chlorotetrazolo[4,5-b]pyridazine","","C1=CC(=NN2C1=NN=N2)Cl","RRBQGBYFXZPPAH-UHFFFAOYSA-N","302231",NA,"PDBC28248","185169","Present"
-"6-Chrysenamine","","","","","","","","","","","","","","","","","","","","chrysonex","","C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N","KIVUHCNVDWYUNP-UHFFFAOYSA-N","17534",NA,"PDBC28249","80186","Present"
-"6-Cl,5-Me-XAA","","","","","","","","","","","","","","","","","","","","6-Cl,5-Me-XAA","","CC1=C(C=CC2=C1OC3=C(C=CC=C3C2=O)CC(=O)O)Cl.[Na+]","PTZOMOWGADELDY-UHFFFAOYSA-N","54608155",NA,"PDBC28250","677593","Present"
-"6-Cyano-4-[(E)-2-(4-dimethylaminophenyl)vinyl]-1-(4-methoxyphenyl)pyridazin-1-ium-3-sulfonic acid","","","","","","","","","","","","","","","","","","","","6-Cyano-4-[(E)-2-(4-dimethylaminophenyl)vinyl]-1-(4-methoxyphenyl)pyridazin-1-ium-3-sulfonic acid","","CC(=O)[O-].CN(C)C1=CC=C(C=C1)C=CC2=CC(=[N+](N=C2S(=O)(=O)O)C3=CC=C(C=C3)OC)C#N","ZPPDUGCDUYKNFP-UHFFFAOYSA-N","6399984",NA,"PDBC28251","686350","Present"
-"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2,4-dichlorobenzoate","","","","","","","","","","","","","","","","","","","","(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 2,4-dichlorobenzoate","","C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)N(C2=S)C5=CC=CC=C5","ZGCXZOHQCDDGQP-UHFFFAOYSA-N","383084",NA,"PDBC28252","671128","Present"
-"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate","","","","","","","","","","","","","","","","","","","","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate","","C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=CO4)C(=O)N(C2=S)C5=CC=CC=C5","VNWBSKARDLRERB-UHFFFAOYSA-N","383087",NA,"PDBC28253","671131","Present"
-"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 3,4,5-trimethoxybenzoate","","","","","","","","","","","","","","","","","","","","(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate","","COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N","JGRPSOMIIXVADB-UHFFFAOYSA-N","383086",NA,"PDBC28254","671130","Present"
-"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-(trifluoromethyl)benzoate","","","","","","","","","","","","","","","","","","","","(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-(trifluoromethyl)benzoate","","C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=C(C=C4)C(F)(F)F)C(=O)N(C2=S)C5=CC=CC=C5","QUBWWRLPDIUNCX-UHFFFAOYSA-N","383089",NA,"PDBC28255","671133","Present"
-"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-chlorobenzoate","","","","","","","","","","","","","","","","","","","","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-chlorobenzoate","","C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=C(C=C4)Cl)C(=O)N(C2=S)C5=CC=CC=C5","MJHQXPJDEXWRQG-UHFFFAOYSA-N","383083",NA,"PDBC28256","671127","Present"
-"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-methoxybenzoate","","","","","","","","","","","","","","","","","","","","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-methoxybenzoate","","COC1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N","QCRYBAXUULQSSN-UHFFFAOYSA-N","383085",NA,"PDBC28257","671129","Present"
-"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate","","","","","","","","","","","","","","","","","","","","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate","","C1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N","XVMCCKUDBYATMX-UHFFFAOYSA-N","383082",NA,"PDBC28258","671126","Present"
-"6-Cyano-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)-6-phenylhexanamide","","","","","","","","","","","","","","","","","","","","6-Cyano-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)-6-phenylhexanamide","","C1=CC=C(C=C1)C(C#N)C(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CCCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]","UCQHQOUILVBNLC-MUGXBBEHSA-N","9569985",NA,"PDBC28259","630310","Present"
-"6-Cyano-6-(2,6-dichlorophenyl)-N-(2-nitrophenyl)-5-oxohexanamide","","","","","","","","","","","","","","","","","","","","6-Cyano-6-(2,6-dichlorophenyl)-N-(2-nitrophenyl)-5-oxohexanamide","","C1=CC=C(C(=C1)NC(=O)CCCC(=O)C(C#N)C2=C(C=CC=C2Cl)Cl)[N+](=O)[O-]","BSQOMEZZGAUHCQ-UHFFFAOYSA-N","365081",NA,"PDBC28260","632039","Present"
-"6-Cyano-N-(2,4-dichlorophenyl)-5-oxo-6-phenylhexanamide","","","","","","","","","","","","","","","","","","","","6-Cyano-N-(2,4-dichlorophenyl)-5-oxo-6-phenylhexanamide","","C1=CC=C(C=C1)C(C#N)C(=O)CCCC(=O)NC2=C(C=C(C=C2)Cl)Cl","KPHKFYCDHKKXIP-UHFFFAOYSA-N","364932",NA,"PDBC28261","631818","Present"
-"6-Cyano-N-(2,6-dimethylphenyl)-5-oxo-6-phenylhexanamide","","","","","","","","","","","","","","","","","","","","6-Cyano-N-(2,6-dimethylphenyl)-5-oxo-6-phenylhexanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C(C#N)C2=CC=CC=C2","UABACJFPWNRKAW-UHFFFAOYSA-N","361452",NA,"PDBC28262","624474","Present"
-"6-Cyclohexyl-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-5H-pyrimido[4,5-e][1,4]diazepine-4,7-dione","","","","","","","","","","","","","","","","","","","","6-Cyclohexyl-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-5H-pyrimido[4,5-e][1,4]diazepine-4,7-dione","","CN1C(=O)C2=C(NC(C(=O)N(C2)C3CCCCC3)C4=CC=CC=C4)N=C1SC","PLNNVFXVIHTTRK-UHFFFAOYSA-N","54613016",NA,"PDBC28263","749858","Present"
-"6-Cyclohexylmethoxypurine","","","","","","","","","","","","","","","","","","","","6-cyclohexylmethoxypurine","","C1CCC(CC1)COC2=NC=NC3=C2NC=N3","ZJSUFVUNHNCHCI-UHFFFAOYSA-N","5329578",NA,"PDBC28264","707618","Present"
-"6-Cyclopropyl-9-fluoro-2-oxo-4-phenyl-8-piperazin-1-yl-3,4,5,10b-tetrahydro-1H-pyrimido[5,4-c]quinoline-4a-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Cyclopropyl-9-fluoro-2-oxo-4-phenyl-8-piperazin-1-yl-3,4,5,10b-tetrahydro-1H-pyrimido[5,4-c]quinoline-4a-carboxylic acid","","C1CC1N2CC3(C(NC(=O)NC3C4=CC(=C(C=C42)N5CCNCC5)F)C6=CC=CC=C6)C(=O)O","PUEBOHQFHCKTJI-UHFFFAOYSA-N","45027952",NA,"PDBC28265","740251","Present"
-"6-Deoxy-Hexose","","","","","","","","","","","","","","","","","","","","NSC287050","","CC1C(C(C(C(O1)O)O)O)O","SHZGCJCMOBCMKK-UHFFFAOYSA-N","840",NA,"PDBC28266","287050","Present"
-"6-Deoxypseudoanisatin","","","","","","","","","","","","","","","","","","","","6-Deoxypseudoanisatin","","CC1CCC2(C13CC(=O)C34C(=O)C(C2(CO4)C)C)O","JXHZYOVPJZOQIF-NQJPVCRJSA-N","6852268",NA,"PDBC28267","658836","Present"
-"6-Des-fluoro TAK-960","","","","","","","","","","","","","","","","","","","","TAK-960 analog","","CC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=C(C=C(C=C3)C(=O)NC4CCCN(C4)C)OC)C5CCCC5)C","GUZJUGLCMPBJJC-HXUWFJFHSA-N","57969857",NA,"PDBC28268","761759","Present"
-"6-Diazo-5-oxo-norleucine","","","","","","","","","","","","","","","","","","","","Diazooxonorleucine","","C(CC(=O)C=[N+]=[N-])C(C(=O)O)N","YCWQAMGASJSUIP-UHFFFAOYSA-N","164",NA,"PDBC28269","7365","Present"
-"6-Dimethoxy-4-[(3-chlorophenyl)amino]-2-(2-thienyl) quinazoline","","","","","","","","","","","","","","","","","","","","6-dimethoxy-4-[(3-chlorophenyl)amino]-2-(2-thienyl) quin...","","COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NC4=CC(=CC=C4)Cl)OC","CVTAVAFYPBIYGH-UHFFFAOYSA-N","405775",NA,"PDBC28270","723418","Present"
-"6-Dimethoxy-4-[(3-nitrophenyl)amino]-2-(2-thienyl) quinazoline","","","","","","","","","","","","","","","","","","","","6-dimethoxy-4-[(3-nitrophenyl)amino]-2-(2-thienyl) quina...","","COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NC4=CC(=CC=C4)[N+](=O)[O-])OC","KFQRHWQXZWQVRU-UHFFFAOYSA-N","405777",NA,"PDBC28271","723420","Present"
-"6-Dimethylaminonicotinamide","","","","","","","","","","","","","","","","","","","","Nicotinamide, 6-(dimethylamino)-","","CN(C)C1=NC=C(C=C1)C(=O)N","HLUIYGVTAGXCRZ-UHFFFAOYSA-N","96420",NA,"PDBC28272","73291","Present"
-"6-Ethoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","6-Ethoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine","","CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=CC=C3)N)[O-]","CKJUHUTZEWGZCS-UHFFFAOYSA-N","135484666",NA,"PDBC28273","621725","Present"
-"6-Ethoxy-2-(3-oxo-5-phenylfuran-2-yl)-4H-1,4-benzothiazin-3-one","","","","","","","","","","","","","","","","","","","","6-Ethoxy-2-(3-oxo-5-phenyl-2,3-dihydrofuran-2-yl)-2h-1,4-benzothiazin-3(4h)-one","","CCOC1=CC2=C(C=C1)SC(C(=O)N2)C3C(=O)C=C(O3)C4=CC=CC=C4","ORVDMFFAKNGAAC-UHFFFAOYSA-N","404234",NA,"PDBC28274","720413","Present"
-"6-Ethoxy-2-(4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","6-Ethoxy-2-(4-hydroxyphenyl)benzothiazole","","CCOC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)O","JULMDIZRXYUITQ-UHFFFAOYSA-N","405003",NA,"PDBC28275","721657","Present"
-"6-Ethoxy-3,6-dihydro-2H-pyran","","","","","","","","","","","","","","","","","","","","6-Ethoxy-3,6-dihydro-2H-pyran","","CCOC1C=CCCO1","QPSCQKRZWLJYDG-UHFFFAOYSA-N","359256",NA,"PDBC28276","619972","Present"
-"6-Ethoxy-3-(4-methylphenyl)sulfonyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","6-Ethoxy-3-(4-methylphenyl)sulfonyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])S(=O)(=O)C3=CC=C(C=C3)C)N)[O-]","VXDQPGFIXOYHLB-UHFFFAOYSA-N","135463934",NA,"PDBC28277","621493","Present"
-"6-Ethoxy-3-(4-nitrophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","6-Ethoxy-3-(4-nitrophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-])N)[O-]","PYHRLWQOQAEQBR-UHFFFAOYSA-N","135503390",NA,"PDBC28278","621729","Present"
-"6-Ethoxy-4,9-dimethoxy-7,8-dihydrotetracene-5,12-dione","","","","","","","","","","","","","","","","","","","","6-Ethoxy-4,9-dimethoxy-7,8-dihydrotetracene-5,12-dione","","CCOC1=C2CCC(=CC2=CC3=C1C(=O)C4=C(C3=O)C=CC=C4OC)OC","RUKYMOQMFYYFKY-UHFFFAOYSA-N","390045",NA,"PDBC28279","686959","Present"
-"6-Ethoxy-8,9-dimethoxy-5-methyl-5,6-dihydrobenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","6-Ethoxy-8,9-dimethoxy-5-methyl-5,6-dihydrobenzo[c]phenanthridine","","CCOC1C2=CC(=C(C=C2C3=C(N1C)C4=CC=CC=C4C=C3)OC)OC","URZDFUIXJZWTKL-UHFFFAOYSA-N","371245",NA,"PDBC28280","645302","Present"
-"6-Ethoxy-N-(2-ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine","","","","","","","","","","","","","","","","","","","","6-Ethoxy-N-(2-ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine","","CCOC1=NC(N=C(O1)NC2=NP(=O)(C(N2C)(C)C)OCC)(C(F)(F)F)C(F)(F)F","FDQZWPOMXYJWTC-UHFFFAOYSA-N","382495",NA,"PDBC28281","670101","Present"
-"6-Ethyl 8-methyl 7-(3-chlorophenyl)-5,8a-dimethyl-2,3,8,8a-tetrahydro-7H-[1,3]oxazolo[3,2-a]pyridine-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","6-O-Ethyl 8-O-methyl 7-(3-chlorophenyl)-5,8a-dimethyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridine-6,8-dicarboxylate","","CCOC(=O)C1=C(N2CCOC2(C(C1C3=CC(=CC=C3)Cl)C(=O)OC)C)C","SXTPDZQSMBLNMP-UHFFFAOYSA-N","374627",NA,"PDBC28282","652595","Present"
-"6-Ethyl-13-[3-[(2-methoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone","","","","","","","","","","","","","","","","","","","","2-ethyl-7-(3-((2-methoxybenzyl)amino)propyl)benzo[lmn][3...","","CCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC5=CC=CC=C5OC)C1=O","GKOZHRWNYBXUMS-UHFFFAOYSA-N","155806567",NA,"PDBC28283","773148","Present"
-"6-Ethyl-13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene","","","","","","","","","","","","","","","","","","","","6-Ethyl-13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene","","CCN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC","ZXGMRSBNUCIYJJ-UHFFFAOYSA-N","377152",NA,"PDBC28284","658354","Present"
-"6-Ethyl-2,5,11-trimethylpyrido[4,3-b]carbazol-2-ium-9-ol","","","","","","","","","","","","","","","","","","","","6-Ethyl-9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carba...","","CCN1C2=C(C=C(C=C2)O)C3=C1C(=C4C=C[N+](=CC4=C3C)C)C","NBLRCYIHDRMHBO-UHFFFAOYSA-O","155810393",NA,"PDBC28285","785690","Present"
-"6-Ethyl-2-(4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","6-Ethyl-2-(4-hydroxyphenyl)benzothiazole","","CCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)O","UCEZTXXRIXTZME-UHFFFAOYSA-N","405004",NA,"PDBC28286","721658","Present"
-"6-Ethyl-2-(methylthio)-4-phenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one","","","","","","","","","","","","","","","","","","","","6-Ethyl-2-(methylthio)-4-phenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one","","CCN1C(=O)C2=C(N(C1=S)C3=CC=CC=C3)SC(=N2)SC","HZFYBHISWNNBOE-UHFFFAOYSA-N","383353",NA,"PDBC28287","671467","Present"
-"6-Ethyl-2-(methylthio)-4-phenyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione","","","","","","","","","","","","","","","","","","","","6-Ethyl-2-(methylthio)-4-phenyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione","","CCN1C(=O)C2=C(N(C1=O)C3=CC=CC=C3)SC(=N2)SC","MGLIXODYKDEGEB-UHFFFAOYSA-N","383354",NA,"PDBC28288","671468","Present"
-"6-Ethyl-3,3-dimethyl-4-oxa-1,2a,5,6-tetraazacyclopenta[cd]inden-7(6H)-one","","","","","","","","","","","","","","","","","","","","9-Ethyl-5,5-dimethyl-6-oxa-2,4,8,9-tetrazatricyclo[5.3.1.04,11]undeca-1(11),2,7-trien-10-one","","CCN1C(=O)C2=C3C(=N1)OC(N3C=N2)(C)C","ZASBWXKZSBTFMY-UHFFFAOYSA-N","394433",NA,"PDBC28289","697885","Present"
-"6-Ethyl-5,11-dimethyl-2-octadecylpyrido[4,3-b]carbazol-2-ium-9-ol","","","","","","","","","","","","","","","","","","","","6-Ethyl-9-hydroxy-5,11-dimethyl-2-octadecyl-6H-pyrido[4,...","","CCCCCCCCCCCCCCCCCC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)N(C4=C3C=C(C=C4)O)CC)C","MDKAMXYNZUPXRL-UHFFFAOYSA-O","155812165",NA,"PDBC28290","785689","Present"
-"6-Ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol","","","","","","","","","","","","","","","","","","","","6-Ethyl-9-hydroxy-5,11-dimethyl-2-tetradecyl-6H-pyrido[4...","","CCCCCCCCCCCCCC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)N(C4=C3C=C(C=C4)O)CC)C","HRRGDZJIKQYAFA-UHFFFAOYSA-O","155806996",NA,"PDBC28291","790093","Present"
-"6-Ethyl-5-(3-hydroxybenzotriazol-5-yl)pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-Ethyl-5-(3-hydroxybenzotriazol-5-yl)pyrimidine-2,4-diamine","","CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N=NN3O","BLZRHAHPFSQXKH-UHFFFAOYSA-N","343102",NA,"PDBC28292","382055","Present"
-"6-Ethyl-5-[1-(2-phenylethyl)benzotriazol-5-yl]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-Ethyl-5-[1-(2-phenylethyl)benzotriazol-5-yl]pyrimidine-2,4-diamine","","CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N(N=N3)CCC4=CC=CC=C4","QZJSMKNWPAJWQB-UHFFFAOYSA-N","343101",NA,"PDBC28293","382053","Present"
-"6-Ethyl-5-[3-[2-methyl-7-(2-methylpyridin-4-yl)-1,3-benzoxazol-5-yl]but-1-ynyl]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-ethyl-5-(3-(2-methyl-7-(2-methylpyridin-4-yl)benzo[d]o...","","CCC1=C(C(=NC(=N1)N)N)C#CC(C)C2=CC(=C3C(=C2)N=C(O3)C)C4=CC(=NC=C4)C","AQVXAJHYIYOFEV-UHFFFAOYSA-N","155813588",NA,"PDBC28294","794221","Present"
-"6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","2,4-Pyrimidinediamine, 6-ethyl-5-[4-(methylamino)- 3-nit...","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NC)[N+](=O)[O-]","UEBWOKUSTFIFOC-UHFFFAOYSA-N","4602007",NA,"PDBC28295","382034","Present"
-"6-Ethyl-6-nitro-bicyclo[2.2.1]hept-2-ene","","","","","","","","","","","","","","","","","","","","6-Ethyl-6-nitro-bicyclo[2.2.1]hept-2-ene","","CCC1(CC2CC1C=C2)[N+](=O)[O-].CCC1(CC2CC1C=C2)[N+](=O)[O-]","JTRNDHUPQHNEGP-UHFFFAOYSA-N","260721",NA,"PDBC28296","92378","Present"
-"6-Ethyl-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7(6H)-one","","","","","","","","","","","","","","","","","","","","5-Ethyl-5-phenyl-6-thia-10b-aza-benzo[e]azulen-4-one","","CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3S1)C4=CC=CC=C4","RRYRKNNNMOVSRI-UHFFFAOYSA-N","378551",NA,"PDBC28297","661186","Present"
-"6-Ethylcoumarin","","","","","","","","","","","","","","","","","","","","6-Ethylcoumarin","","CCC1=CC2=C(C=C1)OC(=O)C=C2","SBZIILXFKTXDCJ-UHFFFAOYSA-N","96435",NA,"PDBC28298","74487","Present"
-"6-Ethylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Ethylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[...","","CCSC1=NC2=C(C=NN2)C(=N1)N=CC3=CC=CC=C3O","LPSQXNMAXSXJPU-UHFFFAOYSA-N","406692",NA,"PDBC28299","724957","Present"
-"6-Ethylmercapto-4-(2'-thienylidine amino)pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Ethylmercapto-4-(2'-thienylidine amino)pyrazolo[3,4-d]...","","CCSC1=NC2=C(C=NN2)C(=N1)N=CC3=CC=CS3","OELFOZLSIRKZST-UHFFFAOYSA-N","406690",NA,"PDBC28300","724955","Present"
-"6-Ethyloctadecanoic acid","","","","","","","","","","","","","","","","","","","","6-Ethyloctadecanoic acid","","CCCCCCCCCCCCC(CC)CCCCC(=O)O","OUOJKSCAHHOPME-UHFFFAOYSA-N","361940",NA,"PDBC28301","625424","Present"
-"6-Ethylsulfanyl-4-methyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene","","","","","","","","","","","","","","","","","","","","6-Ethylsulfanyl-4-methyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene","","CCSC1=NC(=NC2=C1SC3=NC4=CC=CC=C4N23)C","YCGGIQJFQUBNCZ-UHFFFAOYSA-N","390469",NA,"PDBC28302","687828","Present"
-"6-Ethylthio-1-hydroxymethyl-4-(1-methylbenzyl)aminopyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Ethylthio-1-hydroxymethyl-4-(1-methylbenzyl)aminopyraz...","","CCSC1=NC(=C2C=NN(C2=N1)CO)NC(C)C3=CC=CC=C3","OTORGZMUGNAEOC-UHFFFAOYSA-N","406130",NA,"PDBC28303","724129","Present"
-"6-Ethylthio-1-hydroxymethyl-4-thienylidenehydrazino pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Ethylthio-1-hydroxymethyl-4-thienylidenehydrazino pyra...","","CCSC1=NC(=C2C=NN(C2=N1)CO)NN=CC3=CC=CS3","ZGLGROHLZGHDDU-MKMNVTDBSA-N","9572681",NA,"PDBC28304","724130","Present"
-"6-Ethylthio-4-morpholinopyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Ethylthio-4-morpholinopyrazolo[3,4-d]pyrimidine","","CCSC1=NC2=C(C=NN2)C(=N1)N3CCOCC3","UYOOKYLKIQRJKB-UHFFFAOYSA-N","405595",NA,"PDBC28305","722962","Present"
-"6-Ethylthio-4-piperidino pyrazolo[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Ethylthio-4-piperidino pyrazolo[3,4-d]pyrimidine","","CCSC1=NC2=C(C=NN2)C(=N1)N3CCCCC3","ANMNQHIOWOXHLM-UHFFFAOYSA-N","405594",NA,"PDBC28306","722961","Present"
-"6-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","6-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole","","C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)F)C#N)N","YSVLLPHICCNENQ-UHFFFAOYSA-N","404145",NA,"PDBC28307","720284","Present"
-"6-Fluoro-2-(4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","6-Fluoro-2-(4-hydroxyphenyl)benzothiazole","","C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)F)O","UNIRBRVDTSZVDL-UHFFFAOYSA-N","404998",NA,"PDBC28308","721652","Present"
-"6-Fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-yl]-1H-benzoimidazole","","","","","","","","","","","","","","","","","","","","5-fluoro-2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-...","","COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C3=NC4=C(N3)C=C(C=C4)F","AWWHFLRMXILONY-UHFFFAOYSA-N","136929765",NA,"PDBC28309","768406","Present"
-"6-Fluoro-2-[4-[5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole","","","","","","","","","","","","","","","","","","","","2-fluoro-5-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-...","","COC1=C(C=CC(=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)F)F","MUAIDSSWNDHVJO-UHFFFAOYSA-N","60147633",NA,"PDBC28310","751898","Present"
-"6-Fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","6-Fluoro-3-(3-fluorophenyl)isoquinolin-1(2H)-one","","C1=CC(=CC(=C1)F)C2=CC3=C(C=CC(=C3)F)C(=O)N2","ALUOVSMIKCVEQC-UHFFFAOYSA-N","155810671",NA,"PDBC28311","795055","Present"
-"6-Fluoro-4-nitroisobenzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","6-Fluoro-4-nitroisobenzofuran-1(3H)-one","","C1C2=C(C=C(C=C2[N+](=O)[O-])F)C(=O)O1","JBLFHMWQMPVDDL-UHFFFAOYSA-N","57519176",NA,"PDBC28312","765864","Present"
-"6-Fluoro-DL-tryptophan","","","","","","","","","","","","","","","","","","","","f7626","","C1=CC2=C(C=C1F)NC=C2CC(C(=O)O)N","YMEXGEAJNZRQEH-UHFFFAOYSA-N","94937",NA,"PDBC28313","9364","Present"
-"6-Fluoroisatin","","","","","","","","","","","","","","","","","","","","6-Fluoroisatin","","C1=CC2=C(C=C1F)NC(=O)C2=O","CWVFOAVBTUHQCZ-UHFFFAOYSA-N","373905",NA,"PDBC28314","650911","Present"
-"6-Fluoroquinolin-8-ol","","","","","","","","","","","","","","","","","","","","FS-3756","","C1=CC2=CC(=CC(=C2N=C1)O)F","SCUWALYGODIPCH-UHFFFAOYSA-N","384160",NA,"PDBC28315","673450","Present"
-"6-Fluorospiro[bicyclo[3.3.1]nonane-3,2'-oxirane]-7-one","","","","","","","","","","","","","","","","","","","","2-Fluorospiro[bicyclo[3.3.1]nonane-7,2'-oxirane]-3-one","","C1C2CC(=O)C(C1CC3(C2)CO3)F","WLRJSFXNNIUPSO-UHFFFAOYSA-N","395354",NA,"PDBC28316","699836","Present"
-"6-Formylphenoxathiine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Formylphenoxathiine-4-carboxylic acid","","C1=CC(=C2C(=C1)SC3=CC=CC(=C3O2)C(=O)O)C=O","XBUGQKGMWIEKPS-UHFFFAOYSA-N","338202",NA,"PDBC28317","359565","Present"
-"6-Guanidino-2-(p-tolylsulfonylcarbamoylamino)hexanoic acid","","","","","","","","","","","","","","","","","","","","6-Guanidino-2-(p-tolylsulfonylcarbamoylamino)hexanoic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCCCN=C(N)N)C(=O)O","JRDPWGBJEXONCV-UHFFFAOYSA-N","396493",NA,"PDBC28318","702677","Present"
-"6-Hex-5-enyl-5,11-dimethylpyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","6-(5-Hexen-1-yl)ellipticine","","CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCC=C)C","BNUXJBKHBGXWGI-UHFFFAOYSA-N","294454",NA,"PDBC28319","162907","Present"
-"6-Hexyl-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-hexyl-3-p-tolyl-[1,2,4]triazolo[3,4-b][1,3,4] thiadiazole","","CCCCCCC1=NN2C(=NN=C2S1)C3=CC=C(C=C3)C","IZERZIZUPOHRRO-UHFFFAOYSA-N","395129",NA,"PDBC28320","699420","Present"
-"6-Hexyl-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-Hexyl-3-(pyridin-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]th...","","CCCCCCC1=NN2C(=NN=C2S1)C3=CC=NC=C3","YUPUNXFKGFVUSA-UHFFFAOYSA-N","379470",NA,"PDBC28321","664024","Present"
-"6-Hexyl-7-(3-((6-hexyl-3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-3,4-dimethyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","6-Hexyl-7-(3-((6-hexyl-3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-3,4-dimethyl-2H-chromen-2-one","","CCCCCCC1=CC2=C(C=C1OCCCOC3=CC4=C(C=C3CCCCCC)C(=C(C(=O)O4)C)C)OC(=O)C(=C2C)C","SOQPZVUPJNSUJG-UHFFFAOYSA-N","375236",NA,"PDBC28322","654625","Present"
-"6-Hexyl-7-hydroxy-2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-Hexyl-7-hydroxy-2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O","LTVWRMGDSCZKEP-UHFFFAOYSA-N","135426702",NA,"PDBC28323","709580","Present"
-"6-Hexyl-7-hydroxy-3-[2-(4-methoxyphenyl)thiazol-4-yl]chromen-2-one","","","","","","","","","","","","","","","","","","","","6-Hexyl-7-hydroxy-3-[2-(4-methoxyphenyl)thiazol-4-yl]chromen-2-one","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC=C(C=C4)OC)O","TVVUAZIQQXSKBU-UHFFFAOYSA-N","5466313",NA,"PDBC28324","684995","Present"
-"6-Hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-2-one, 6-hexyl-7-hydroxy-3-(imidazo[1,2-...","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=N3)O","GYNSVGHBPJEPRB-UHFFFAOYSA-N","5470855",NA,"PDBC28325","705895","Present"
-"6-Hexylsulfanyl-7H-purin-2-amine","","","","","","","","","","","","","","","","","","","","6-Hexylsulfanyl-7H-purin-2-amine","","CCCCCCSC1=NC(=NC2=C1NC=N2)N","HHVNOIXEDWFLKN-UHFFFAOYSA-N","3581648",NA,"PDBC28326","35863","Present"
-"6-Hydrazino-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-Hydrazino-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","CC1=NN=C2N1N=C(S2)NN","MNYUOPLMNNYIFQ-UHFFFAOYSA-N","383495",NA,"PDBC28327","671880","Present"
-"6-Hydrazinopurine","","","","","","","","","","","","","","","","","","","","6-hydrazinopurine","","C1=NC2=C(N1)C(=NC=N2)NN","IUEISQYNCXVHTJ-UHFFFAOYSA-N","94902",NA,"PDBC28328","7354","Present"
-"6-Hydrazinyl-4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine","","","","","","","","","","","","","","","","","","","","6H-Pyrazolo[3,4-b]pyridin-6-one, 3-amino-1,7-dihydro-4-m...","","CC1=CC(=NC2=NNC(=C12)N)NN","BCPYCDPJIBVREO-UHFFFAOYSA-N","334849",NA,"PDBC28329","341970","Present"
-"6-Hydroxy-1'-methyl-spiro[cyclohexene-3,3'-indoline]-2'-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one","","CN1C2=CC=CC=C2C3(C1=O)CCC(C=C3)O","SBHKAPKPPWQRCN-UHFFFAOYSA-N","393184",NA,"PDBC28330","694672","Present"
-"6-Hydroxy-1-methyl-4-oxo-2-sulfanylidene-N-thiophen-2-ylpyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","6-Hydroxy-1-methyl-4-oxo-2-sulfanylidene-N-thiophen-2-ylpyrimidine-5-carboxamide","","CN1C(=C(C(=O)NC1=S)C(=O)NC2=CC=CS2)O","JXHMFPFBBSIKBH-UHFFFAOYSA-N","3633572",NA,"PDBC28331","645841","Present"
-"6-Hydroxy-2,2a,3,4-tetrahydro-5H-naphtho[1,8-bc]furan-5-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-2,2a,3,4-tetrahydro-5H-naphtho[1,8-bc]furan-5-one","","C1CC(=O)C2=C(C=CC3=C2C1CO3)O","WOBVNCFUNRKOBY-UHFFFAOYSA-N","361583",NA,"PDBC28332","624764","Present"
-"6-Hydroxy-2,3,10-trimethoxy-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6H-chromeno[3,4-b]chromen-12-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-2,3,10-trimethoxy-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6H-chromeno[3,4-b]chromen-12-one","","COC1=C(C=C2C(=C1)C3=C(C(O2)O)OC4=CC(=C(C=C4C3=O)OC)OC5C(C(C(C(O5)CO)O)O)O)OC","TUVVGDZRISSBCL-UHFFFAOYSA-N","397342",NA,"PDBC28333","704945","Present"
-"6-Hydroxy-2-benzoxazolinone","","","","","","","","","","","","","","","","","","","","NCIMech_000107","","C1=CC2=C(C=C1O)OC(=O)N2","XIYXDPMPFOQCFW-UHFFFAOYSA-N","157167",NA,"PDBC28334","603719","Present"
-"6-Hydroxy-2-methyl-3,7-diphenyl-1,2-thiazepin-5(2H)-one 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6-Hydroxy-2-methyl-3,7-diphenyl-1,2-thiazepin-5(2H)-one 1,1-dioxide","","CN1C(=CC(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)O)C3=CC=CC=C3","OMCOLMIJASJREH-UHFFFAOYSA-N","381884",NA,"PDBC28335","669147","Present"
-"6-Hydroxy-2-nitro-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-2-nitro-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one","","C1=CC=C2C(=C1)C(C3N2C(=O)C4=C(N3)C=CC(=C4)[N+](=O)[O-])O","CBCYLHGYMCGJGE-UHFFFAOYSA-N","396708",NA,"PDBC28336","703317","Present"
-"6-Hydroxy-2-phenylpyridazin-3(2H)-one","","","","","","","","","","","","","","","","","","","","NSC163341","","C1=CC=C(C=C1)N2C(=O)C=CC(=O)N2","KJEBAQNNTMWJJI-UHFFFAOYSA-N","74333",NA,"PDBC28337","163341","Present"
-"6-Hydroxy-3,3,11,12-tetramethyl-pyrano[2,3-c]acridin-7-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-3,3,11,12-tetramethyl-pyrano[2,3-c]acridin-7-one","","CC1=C2C(=CC=C1)C(=O)C3=C(N2C)C4=C(C=C3O)OC(C=C4)(C)C","MGXACOZTGFYFIT-UHFFFAOYSA-N","5465763",NA,"PDBC28338","660813","Present"
-"6-Hydroxy-3,3,8,12-tetramethyl-pyrano[2,3-c]acridin-7-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-3,3,8,12-tetramethyl-pyrano[2,3-c]acridin-7-one","","CC1=C2C(=CC=C1)N(C3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O)C","CSYSIDMKPSHLMD-UHFFFAOYSA-N","5465762",NA,"PDBC28339","660812","Present"
-"6-Hydroxy-3,5,7-trimethoxy-3',4'-methylenedioxyflavone","","","","","","","","","","","","","","","","","","","","6-Hydroxy-3,5,7-trimethoxy-3',4'-methylenedioxyflavone","","COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)OC)O","LJRHCSDSZAWZEF-UHFFFAOYSA-N","386327",NA,"PDBC28340","678103","Present"
-"6-Hydroxy-3-(((4-methylphenyl)sulfonyl)hydrazono)-2-oxo-5-indolinecarboxylic acid","","","","","","","","","","","","","","","","","","","","6-Hydroxy-3-(((4-methylphenyl)sulfonyl)hydrazono)-2-oxo-5-indolinecarboxylic acid","","CC1=CC=C(C=C1)S(=O)(=O)N=NC2=C(NC3=CC(=C(C=C32)C(=O)O)O)O","CNYSWCSGWRTVAP-UHFFFAOYSA-N","255981",NA,"PDBC28341","82147","Present"
-"6-Hydroxy-3-((methanesulfonyloxy)methyl)-1-((5,6,7-trimethoxyindol-2-yl)carbonyl)indoline","","","","","","","","","","","","","","","","","","","","6-Hydroxy-3-((methanesulfonyloxy)methyl)-1-((5,6,7- trim...","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)O)COS(=O)(=O)C)OC)OC","SXQWVORVQPQIJG-UHFFFAOYSA-N","386018",NA,"PDBC28342","677587","Present"
-"6-Hydroxy-3-[2-(6-hydroxy-2-methylchromen-2-yl)ethyl]-2,4-dimethylbenzaldehyde","","","","","","","","","","","","","","","","","","","","6-Hydroxy-3-[2-(6-hydroxy-2-methyl-2h-chromen-2-yl)ethyl]-2,4-dimethylbenzaldehyde","","CC1=CC(=C(C(=C1CCC2(C=CC3=C(O2)C=CC(=C3)O)C)C)C=O)O","HXHCCUWOGMBIRD-UHFFFAOYSA-N","374393",NA,"PDBC28343","652097","Present"
-"6-Hydroxy-3-imino-4-oxo-5-(p-tolyl)-1,2-dihydropyrazolo[4,3-c]pyridine-7-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-4,6-dioxo-5-(p-tolyl)-1,2-dihydropyrazolo[3,4-d]pyridine-7-carbonitrile","","CC1=CC=C(C=C1)N2C(=C3C(=C(C2=O)C#N)NN=C3N)O","DBSLZDQNZMMQMJ-UHFFFAOYSA-N","135478551",NA,"PDBC28344","692031","Present"
-"6-Hydroxy-3-imino-4-oxo-5-phenyl-1,2-dihydropyrazolo[4,3-c]pyridine-7-carbonitrile","","","","","","","","","","","","","","","","","","","","3-Amino-4,6-dioxo-5-phenyl-1,2-dihydropyrazolo[3,4-d]pyridine-7-carbonitrile","","C1=CC=C(C=C1)N2C(=C3C(=C(C2=O)C#N)NN=C3N)O","KSUZHGXRLCVEPW-UHFFFAOYSA-N","135489892",NA,"PDBC28345","692006","Present"
-"6-Hydroxy-3-methoxy-4-phenylbenzo[4,3-b]pyridine","","","","","","","","","","","","","","","","","","","","6-Hydroxy-3-methoxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine","","COC1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O","MVQYJJBKEKHCBP-UHFFFAOYSA-N","406462",NA,"PDBC28346","724553","Present"
-"6-Hydroxy-3-methoxybenzene-1,2-dicarbonitrile","","","","","","","","","","","","","","","","","","","","DA-23553","","COC1=C(C(=C(C=C1)O)C#N)C#N","DEDIVRYSGQHFIA-UHFFFAOYSA-N","358343",NA,"PDBC28347","618308","Present"
-"6-Hydroxy-3-methyl-4-(methylthio)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Hydroxy-3-methyl-4-(methylthio)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile","","CC1=C2C(=C(C(=O)NC2=NN1)C#N)SC","CVRKZYGZRIOSTB-UHFFFAOYSA-N","135489894",NA,"PDBC28348","692019","Present"
-"6-Hydroxy-4-methyl-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-4-methyl-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one","","CC1=C2C(=NC(=O)N1)NNC2=O","GWIXTZMKYYXKOQ-UHFFFAOYSA-N","361699",NA,"PDBC28349","624942","Present"
-"6-Hydroxy-4-oxo-2-sulfanylidene-N-thiophen-2-yl-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","6-Hydroxy-4-oxo-2-sulfanylidene-N-thiophen-2-yl-1H-pyrimidine-5-carboxamide","","C1=CSC(=C1)NC(=O)C2=C(NC(=S)NC2=O)O","FMEGFTSXHMTNRB-UHFFFAOYSA-N","3778119",NA,"PDBC28350","645840","Present"
-"6-Hydroxy-4-oxo-N-pentyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","6-Hydroxy-4-oxo-N-pentyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide","","CCCCCNC(=O)C1=C(NC(=S)NC1=O)O","IQFXFVTWZRTQQM-UHFFFAOYSA-N","5135334",NA,"PDBC28351","645843","Present"
-"6-Hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one","","C1C(C2=CSC=C2C1=O)O","KPPIJOJWKKAXMM-UHFFFAOYSA-N","398916",NA,"PDBC28352","709150","Present"
-"6-Hydroxy-5-(hydroxymethyl)tetrahydrofuro[2,3-d][1,3]oxazol-2(3H)-one","","","","","","","","","","","","","","","","","","","","NSC650211///NSC651735///NSC651739","","C(C1C(C2C(O1)NC(=O)O2)O)O","JHLJBMKXTOOGCW-UHFFFAOYSA-N","373606",NA,"PDBC28353","650211///651735///651739","Present"
-"6-Hydroxy-5-[(Z)-(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1H-pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-5-[(Z)-(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1H-pyrimidin-4-one","","COC1=CC2=C(C=C1)N=CC2=CC3=C(NC(=S)NC3=O)O","GIHGEDZBBDDDGM-QPJJXVBHSA-N","135426731",NA,"PDBC28354","713072","Present"
-"6-Hydroxy-5-[N-[2-[[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-phenylprop-2-enylidene]amino]ethyl]-C-[(E)-2-phenylethenyl]carbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Hydroxy-5-[N-[2-[[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-phenylprop-2-enylidene]amino]ethyl]-C-[(E)-2-phenylethenyl]carbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione","","CN1C(=C(C(=O)N(C1=O)C)C(=NCCN=C(C=CC2=CC=CC=C2)C3=C(N(C(=O)N(C3=O)C)C)O)C=CC4=CC=CC=C4)O","JPQBCMUCZPVWJB-RVMWAQHDSA-N","135844955",NA,"PDBC28355","741263","Present"
-"6-Hydroxy-5-methanimidoyl-1,3-bis(4-methylphenyl)pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Hydroxy-5-methanimidoyl-1,3-bis(4-methylphenyl)pyrimidine-2,4-dione","","CC1=CC=C(C=C1)N2C(=C(C(=O)N(C2=O)C3=CC=C(C=C3)C)C=N)O","PJLFEVRBRDMZLI-UHFFFAOYSA-N","290555",NA,"PDBC28356","154585","Present"
-"6-Hydroxy-6-(hydroxymethyl)-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(2,3,4-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-6-(hydroxymethyl)-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(2,3,4-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hex","","COC1=C(C(=C(C=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O)OC)OC.COC1=C(C(=C(C=C1)C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O)OC)OC","AGKIJFBXUZTRHR-UHFFFAOYSA-N","359119",NA,"PDBC28357","619695","Present"
-"6-Hydroxy-6-(hydroxymethyl)-8-(2-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(2-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-6-(hydroxymethyl)-8-(2-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(2-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,","","COC1=CC=CC=C1C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O.COC1=CC=CC=C1C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O","SBNBZTOOZNASOG-UHFFFAOYSA-N","359113",NA,"PDBC28358","619693","Present"
-"6-Hydroxy-6-(hydroxymethyl)-8-(3-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-6-(hydroxymethyl)-8-(3-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,","","COC1=CC=CC(=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O.COC1=CC=CC(=C1)C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O","LQLBFIQVJBDVGM-UHFFFAOYSA-N","359122",NA,"PDBC28359","619696","Present"
-"6-Hydroxy-6-(hydroxymethyl)-8-(4-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(4-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-6-(hydroxymethyl)-8-(4-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(4-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,","","COC1=CC=C(C=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O.COC1=CC=C(C=C1)C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O","XKOVVAVLWBRJTO-UHFFFAOYSA-N","359125",NA,"PDBC28360","619697","Present"
-"6-Hydroxy-6-phenyl-2,3-dihydroimidazo[2,1-a]isoquinolin-5-one","","","","","","","","","","","","","","","","","","","","6-Hydroxy-6-phenyl-2,3-dihydroimidazo[2,1-a]isoquinolin-5-one","","C1CN2C(=N1)C3=CC=CC=C3C(C2=O)(C4=CC=CC=C4)O","JTMVPRDEFVWZOD-UHFFFAOYSA-N","395629",NA,"PDBC28361","700413","Present"
-"6-Hydroxy-7,7,8-trimethyl-9-oxido-6-aza-9-azoniaspiro[4.4]non-8-ene","","","","","","","","","","","","","","","","","","","","2,2,3-Trimethyl-1,4-diazaspiro[4.4]non-3-en-1-ol 4-oxide","","CC1=[N+](C2(CCCC2)N(C1(C)C)O)[O-]","GIWGQHFTMVSPJT-UHFFFAOYSA-N","379386",NA,"PDBC28362","663928","Present"
-"6-Hydroxy-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Hydroxy-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carboxylic acid","","CC1=C(OC2=C1C=CC(=C2C(=O)C=CC3=CC=C(C=C3)OC)O)C(=O)O","LGYOKTRPAONLPY-WEVVVXLNSA-N","24203464",NA,"PDBC28363","728185","Present"
-"6-Hydroxy-7-methoxy-4-methyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","4-Methyl-7-methoxy-6-hydroxycoumarin","","CC1=CC(=O)OC2=CC(=C(C=C12)O)OC","XICLZVQOVIQOBV-UHFFFAOYSA-N","238946",NA,"PDBC28364","43567","Present"
-"6-Hydroxy-8,8-dimethylbicyclo[3.2.1]octan-2-one","","","","","","","","","","","","","","","","","","","","exo-8,8-Dimethyl-6-hydroxybicyclo[3.2.1]octan-2-one","","CC1(C2CCC(=O)C1CC2O)C","YIQLJMHABDPHNX-UHFFFAOYSA-N","376780",NA,"PDBC28365","657840","Present"
-"6-Hydroxy-8-methoxy-11,12-dihydrobenzo[c]phenanthridine-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Hydroxy-8-methoxy-11,12-dihydrobenzo[c]phenanthridine-7-carboxylic acid","","COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4CC3)NC2=O)C(=O)O","QRRGROMTBZODEN-UHFFFAOYSA-N","373163",NA,"PDBC28366","649106","Present"
-"6-Hydroxy-N-[1-(4-nitrophenyl)ethyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","6-Hydroxy-N-[1-(4-nitrophenyl)ethyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide","","CC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(NC(=S)NC2=O)O","RZWVAQLXSOVABQ-UHFFFAOYSA-N","3610427",NA,"PDBC28367","684574","Present"
-"6-Hydroxycarvone","","","","","","","","","","","","","","","","","","","","6-Hydroxycarvone","","CC1=C(CC(CC1=O)C(=C)C)O","XPEAPCMHDFIXFL-UHFFFAOYSA-N","380816",NA,"PDBC28368","666537","Present"
-"6-Hydroxyhexan-2-one","","","","","","","","","","","","","","","","","","","","6-Hydroxyhexan-2-one","","CC(=O)CCCCO","UALYCKSVHDYQRP-UHFFFAOYSA-N","89077",NA,"PDBC28369","620043","Present"
-"6-Hydroxyhexanoic acid","","","","","","","","","","","","","","","","","","","","6-Hydroxyhexanoate","","C(CCC(=O)O)CCO","IWHLYPDWHHPVAA-UHFFFAOYSA-N","14490",NA,"PDBC28370","617319","Present"
-"6-Hydroxyundulatine","","","","","","","","","","","","","","","","","","","","6-Hydroxyundulatine","","COC1CC2C3(CCN2C(C4=C(C5=C(C=C43)OCO5)OC)O)C6C1O6","MSOASAXKAHRWRY-IAWQIDCUSA-N","399203",NA,"PDBC28371","709876","Present"
-"6-Imino-1-methyl-3-phenyl-2,6-dihydro-5(1H)-quinolinone hydrazone","","","","","","","","","","","","","","","","","","","","6-Imino-1-methyl-3-phenyl-2,6-dihydro-5(1H)-quinolinone hydrazone","","CN1CC(=CC2=C1C=CC(=C2N=N)N)C3=CC=CC=C3","VZQKWRKRDCBNCA-UHFFFAOYSA-N","382414",NA,"PDBC28372","669977","Present"
-"6-Imino-8,8-dimethoxy-2,5-dimethyl-3,4,7,8-tetrahydropyrrolo[3',4':3,4]cyclopenta[1,2-e][1,2,4]triazine-5a,8a(2H,6H)-dicarbonitrile","","","","","","","","","","","","","","","","","","","","5-Amino-3,3-dimethoxy-7,11-dimethyl-4,9,11,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),4,7-triene-2,6-dicarbonitrile","","CC1=C2C(=NN(CN2)C)C3(C1(C(=NC3(OC)OC)N)C#N)C#N","GYTUDPBMNMNPHH-UHFFFAOYSA-N","387780",NA,"PDBC28373","681853","Present"
-"6-Iodo-3-(4-((2,5-thiazolylamino)sulfonyl)phenyl)-2-(2-thien yl)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6-Iodo-3-(4-((2,5-thiazolylamino)sulfonyl)phenyl)-2-(2-t...","","C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","FLAGAYDJLSVKJZ-UHFFFAOYSA-N","404721",NA,"PDBC28374","721192","Present"
-"6-Iodo-3-(phenylamino)-2-(2-thieny)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6-Iodo-3-(phenylamino)-2-(2-thieny)-3H-quinazolin-4-one","","C1=CC=C(C=C1)NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4","BKWSKDPJKODCJX-UHFFFAOYSA-N","404725",NA,"PDBC28375","721196","Present"
-"6-Isopropyl-2,2,9-trimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid","","","","","","","","","","","","","","","","","","","","2-[2-[[2-(Tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]acetic acid","","CC(C)C(C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)OC(C)(C)C","DEDJFQPRIGXGEH-UHFFFAOYSA-N","381445",NA,"PDBC28376","668033","Present"
-"6-Isovanillylcatalpol","","","","","","","","","","","","","","","","","","","","6-Isovanillylcatalpol","","COC1=C(C=C(C=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O","DSVKJARKMOAAKJ-APONKLOXSA-N","11969971",NA,"PDBC28377","645270","Present"
-"6-Keto stearic acid","","","","","","","","","","","","","","","","","","","","lactarinic acid","","CCCCCCCCCCCCC(=O)CCCCC(=O)O","QZLYZQUYIQGGOQ-UHFFFAOYSA-N","361939",NA,"PDBC28378","625423","Present"
-"6-Mercapto-9-(propargyloxymethyl) purine","","","","","","","","","","","","","","","","","","","","6-Mercapto-9-(propargyloxymethyl) purine","","C#CCOCN1C=NC2=C1NC=NC2=S","BPYNYJRQOWSNMV-UHFFFAOYSA-N","3004163",NA,"PDBC28379","633667","Present"
-"6-Methoxy-1,4-dimethyl-3-nitro-9H-carbazole","","","","","","","","","","","","","","","","","","","","6-Methoxy-1,4-dimethyl-3-nitro-9H-carbazole","","CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)OC)C)[N+](=O)[O-]","VBEOXLVPNMQASP-UHFFFAOYSA-N","374128",NA,"PDBC28380","651555","Present"
-"6-Methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","6-Methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=CC=C3)N)[O-]","BITBQVZIBRVJLD-UHFFFAOYSA-N","135503389",NA,"PDBC28381","621726","Present"
-"6-Methoxy-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline","","","","","","","","","","","","","","","","","","","","6-Methoxy-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline","","COC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]","BKUZKGPCPASDBA-UHFFFAOYSA-N","380121",NA,"PDBC28382","665523","Present"
-"6-Methoxy-1-(4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)-1H-inden-1-ol","","","","","","","","","","","","","","","","","","","","6-Methoxy-1-(4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)-1H-inden-1-ol","","CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C2(C4=CC=C(C=C4)OC)O)C=C(C=C3)OC","LCMRHQDFGVSKEF-UHFFFAOYSA-N","383860",NA,"PDBC28383","672632","Present"
-"6-Methoxy-1-naphthalen-1-yl-2-phenylimidazo[2,1-b][1,3]benzothiazole","","","","","","","","","","","","","","","","","","","","7-methoxy-3-(1-naphthyl)-2-phenylbenzo[d]imidazo[2,1-b][...","","COC1=CC2=C(C=C1)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65","WJWRXQBAOPPQDE-UHFFFAOYSA-N","155805137",NA,"PDBC28384","755307","Present"
-"6-Methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate","","","","","","","","","","","","","","","","","","","","(6-Methoxy-1-oxo-tetralin-2-yl) (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate","","CC1(C2CCC1(C(=O)C2)CS(=O)(=O)OC3CCC4=C(C3=O)C=CC(=C4)OC)C","AAOLLBKWRGWTEW-UHFFFAOYSA-N","375657",NA,"PDBC28385","655494","Present"
-"6-Methoxy-10-methyl-2-nitroacridin-9-one","","","","","","","","","","","","","","","","","","","","6-Methoxy-10-methyl-2-nitroacridin-9-one","","CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3)OC","MXZPVAOGMYIBMM-UHFFFAOYSA-N","358041",NA,"PDBC28386","617778","Present"
-"6-Methoxy-1H-pyrazolo[3,4-b]quinoxalin-3-amine","","","","","","","","","","","","","","","","","","","","6-Methoxy-1H-pyrazolo[3,4-b]quinoxalin-3-amine","","COC1=CC2=NC3=C(NN=C3N=C2C=C1)N","PBXOZHMFOVJSOM-UHFFFAOYSA-N","395806",NA,"PDBC28387","700694","Present"
-"6-Methoxy-2,2a,3,4-tetrahydro-5H-naphtho[1,8-bc]furan-5-one","","","","","","","","","","","","","","","","","","","","6-Methoxy-2,2a,3,4-tetrahydro-5H-naphtho[1,8-bc]furan-5-one","","COC1=C2C(=O)CCC3C2=C(C=C1)OC3","FVNOBZGVALPCAP-UHFFFAOYSA-N","361666",NA,"PDBC28388","624884","Present"
-"6-Methoxy-2,4-dimethyl-4-nitro-tetrahydropyran-3-ol","","","","","","","","","","","","","","","","","","","","NSC674115///NSC674119","","CC1C(C(CC(O1)OC)(C)[N+](=O)[O-])O","IPERGVQHDOMEEJ-UHFFFAOYSA-N","384392",NA,"PDBC28389","674115///674119","Present"
-"6-Methoxy-2-(3-methoxyphenyl)-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","6-Methoxy-2-(3-methoxyphenyl)quinolin-4(1h)-one","","COC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)OC","FVTUSWUAAUJBRP-UHFFFAOYSA-N","379510",NA,"PDBC28390","664167","Present"
-"6-Methoxy-2-(4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","6-Methoxy-2-(4-hydroxyphenyl)benzothiazole","","COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)O","OIHCJZAQJKSYGI-UHFFFAOYSA-N","404997",NA,"PDBC28391","721651","Present"
-"6-Methoxy-2-(4-methoxyphenyl)-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","KUC100258","","COC1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)OC","OMDFUGQWTUUDGN-UHFFFAOYSA-N","372265",NA,"PDBC28392","647321","Present"
-"6-Methoxy-2-(4-phenylmethoxyphenyl)quinoline","","","","","","","","","","","","","","","","","","","","2-[4-(Benzyloxy)phenyl]-6-methoxyquinoline","","COC1=CC2=C(C=C1)N=C(C=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4","AEXMILBCMVMQFT-UHFFFAOYSA-N","372263",NA,"PDBC28393","647319","Present"
-"6-Methoxy-2-(6-methylpyridin-2-yl)-1H-benzimidazole-4,7-dione","","","","","","","","","","","","","","","","","","","","5-Methoxy-2-(6-methyl-pyridin-2-yl)-1H-benzoimidazole-4,...","","CC1=NC(=CC=C1)C2=NC3=C(N2)C(=O)C(=CC3=O)OC","MCIPFAXRNBDBGH-UHFFFAOYSA-N","45027927",NA,"PDBC28394","740158","Present"
-"6-Methoxy-2-(phenylimino)-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","IFLab1_004737","","COC1=CC2=C(C=C1)OC(=NC3=CC=CC=C3)C(=C2)C(=O)N","GNVLBFGDXZXKSF-UHFFFAOYSA-N","395974",NA,"PDBC28395","701098","Present"
-"6-Methoxy-2-(pyridin-3-yl)-4h-chromen-4-one","","","","","","","","","","","","","","","","","","","","6-Methoxy-2-(pyridin-3-yl)-4h-chromen-4-one","","COC1=CC2=C(C=C1)OC(=CC2=O)C3=CN=CC=C3","KYPPEMWVXHHLGM-UHFFFAOYSA-N","244090",NA,"PDBC28396","54649","Present"
-"6-Methoxy-2-methyltetrahydro-2H-pyran-3-yl methanesulfonate","","","","","","","","","","","","","","","","","","","","6-Methoxy-2-methyltetrahydro-2H-pyran-3-yl methanesulfonate","","CC1C(CCC(O1)OC)OS(=O)(=O)C","CODPONHHCPRTSN-UHFFFAOYSA-N","378847",NA,"PDBC28397","662186","Present"
-"6-Methoxy-2-phenyl-1-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole","","","","","","","","","","","","","","","","","","","","7-methoxy-2-phenyl-3-(3-thienyl)benzo[d]imidazo[2,1-b][1...","","COC1=CC2=C(C=C1)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CSC=C5","WFSJKKQGQLXAJG-UHFFFAOYSA-N","56955856",NA,"PDBC28398","755308","Present"
-"6-Methoxy-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene","","","","","","","","","","","","","","","","","","","","6-Methoxy-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene","","COC1=CC=CC2=C1OC3C4=C2N(N=C4C5=CC=CC=C5S3)C6=CC=CC=C6","VFACTJBEWUDRGJ-UHFFFAOYSA-N","371912",NA,"PDBC28399","646496","Present"
-"6-Methoxy-2-pyridin-2-yl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","6-Methoxy-2-pyridin-2-yl-1H-quinolin-4-one","","COC1=CC2=C(C=C1)NC(=CC2=O)C3=CC=CC=N3","BXJVCIMXOZDEFT-UHFFFAOYSA-N","372261",NA,"PDBC28400","647317","Present"
-"6-Methoxy-2-pyridin-4-ylchromen-4-one","","","","","","","","","","","","","","","","","","","","NCIMech_000108","","COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=NC=C3","GJRXUVZXOFTNKD-UHFFFAOYSA-N","244091",NA,"PDBC28401","54650","Present"
-"6-Methoxy-3,3,5,12-tetramethyl-3,12-dihydro-pyrano[2,3-c]acridin-7-one","","","","","","","","","","","","","","","","","","","","6-Methoxy-3,3,5,12-tetramethyl-3,12-dihydro-pyrano[2,3-c]acridin-7-one","","CC1=C2C(=C3C(=C1OC)C(=O)C4=CC=CC=C4N3C)C=CC(O2)(C)C","ZFTRTFXXUXJXOU-UHFFFAOYSA-N","374579",NA,"PDBC28402","652553","Present"
-"6-Methoxy-3-(4-methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","6-Methoxy-3-(4-methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine","","CC1=CC=C(C=C1)C2=[N+](C3=C(C=CC(=C3)OC)[N+](=C2N)[O-])[O-]","QCASXGFBXLDCCD-UHFFFAOYSA-N","135503393",NA,"PDBC28403","621736","Present"
-"6-Methoxy-3-(4-nitrophenyl)-1,4-dioxido-quinoxaline-1,4-diium-2-amine","","","","","","","","","","","","","","","","","","","","6-Methoxy-3-(4-nitrophenyl)-1,4-dioxido-quinoxaline-1,4-diium-2-amine","","COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-])N)[O-]","DLDGNBWHVALABR-UHFFFAOYSA-N","135429939",NA,"PDBC28404","621735","Present"
-"6-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","COC1=C2CCCC3=C(OC(=C23)C=C1)C(=O)O","CHJILIANOLDCJD-UHFFFAOYSA-N","361593",NA,"PDBC28405","624774","Present"
-"6-Methoxy-4-methyl-5-nitro-quinolin-2-ol","","","","","","","","","","","","","","","","","","","","6-Methoxy-4-methyl-5-nitro-quinolin-2-ol","","CC1=CC(=O)NC2=C1C(=C(C=C2)OC)[N+](=O)[O-]","UEVOWYGDNLFANM-UHFFFAOYSA-N","494727",NA,"PDBC28406","629805","Present"
-"6-Methoxy-4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","6-Methoxy-4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine","","CC1=CC(=NC2=C1C=C(C=C2)OC)NN=C(C)C3=CC=CC=N3","JMBDCADTMYGNQO-FYJGNVAPSA-N","9569350",NA,"PDBC28407","332436","Present"
-"6-Methoxy-4-methylcoumarin","","","","","","","","","","","","","","","","","","","","TimTec1_005460","","CC1=CC(=O)OC2=C1C=C(C=C2)OC","KNGPIBWCWOQBEK-UHFFFAOYSA-N","223821",NA,"PDBC28408","11841","Present"
-"6-Methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","6-Methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide","","COC1=CC2=C(CC(CC2=O)C(=O)N)C=C1","IMLYAQLEWHBNQA-UHFFFAOYSA-N","356128",NA,"PDBC28409","611220","Present"
-"6-Methoxy-5-methyl-7-(1-piperidyl)chromeno[3,2-c]carbazol-8-one","","","","","","","","","","","","","","","","","","","","6-Methoxy-5-methyl-7-(1-piperidyl)chromeno[3,2-c]carbazol-8-one","","CN1C2=CC=CC=C2C3=C1C(=C(C4=C3OC5=CC=CC=C5C4=O)N6CCCCC6)OC","TXAUWABIWMEWKQ-UHFFFAOYSA-N","389282",NA,"PDBC28410","685035","Present"
-"6-Methoxy-6'-(methylthio)-2,2'-bipyridine","","","","","","","","","","","","","","","","","","","","2-Methoxy-6-(6-methylsulfanylpyridin-2-yl)pyridine","","COC1=CC=CC(=N1)C2=NC(=CC=C2)SC","XPXURTRUBAMKGZ-UHFFFAOYSA-N","401653",NA,"PDBC28411","715355","Present"
-"6-Methoxy-6-methyltetrahydro-2H-pyran-3-yl methanesulfonate","","","","","","","","","","","","","","","","","","","","6-Methoxy-6-methyltetrahydro-2H-pyran-3-yl methanesulfonate","","CC1(CCC(CO1)OS(=O)(=O)C)OC","ZTGQOAQGMNOJDC-UHFFFAOYSA-N","377517",NA,"PDBC28412","659004","Present"
-"6-Methoxy-7,9-dimethylpurin-9-ium-2-amine;chloride","","","","","","","","","","","","","","","","","","","","NSC691769","","CN1C=[N+](C2=C1C(=NC(=N2)N)OC)C.[Cl-]","UUXQFBYNAZATHJ-UHFFFAOYSA-M","391986",NA,"PDBC28413","691769","Present"
-"6-Methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine","","","","","","","","","","","","","","","","","","","","GI261520A","","COC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4","RARTTYYZTRKYDS-UHFFFAOYSA-N","5329484",NA,"PDBC28414","756129","Present"
-"6-Methoxy-N-[2-(5-methoxy-1,3-benzothiazol-2-yl)indazol-3-yl]-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","6-Methoxy-N-[2-(5-methoxy-1,3-benzothiazol-2-yl)indazol-3-yl]-1,3-benzothiazol-2-amine","","COC1=CC2=C(C=C1)SC(=N2)N3C(=C4C=CC=CC4=N3)NC5=NC6=C(S5)C=C(C=C6)OC","AOPSTCAUDQDJPL-UHFFFAOYSA-N","405978",NA,"PDBC28415","723830","Present"
-"6-Methoxy-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine","","","","","","","","","","","","","","","","","","","","6-Methoxy-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine","","CC(=NOC)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","GQFVNJNRZLNLMA-QRQIAZFYSA-N","24203284",NA,"PDBC28416","727487","Present"
-"6-Methoxy-N-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine","","","","","","","","","","","","","","","","","","","","6-Methoxy-N-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine","","CC(=NOC)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","HSPUWWLOJQUMNP-OGLMXYFKSA-N","11610967",NA,"PDBC28417","727474","Present"
-"6-Methoxyethylamino-Numonafide","","","","","","","","","","","","","","","","","","","","SB17162","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCOC)C=CC=C3C1=O","RUEVHWQFCPOMPV-UHFFFAOYSA-N","44197135",NA,"PDBC28418","748431","Present"
-"6-Methoxyquinoline-4-carbaldehyde;2,4,6-trinitrophenol","","","","","","","","","","","","","","","","","","","","6-Methoxyquinoline-4-carbaldehyde;2,4,6-trinitrophenol","","COC1=CC2=C(C=CN=C2C=C1)C=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","XSVQKIWQJQVJHH-UHFFFAOYSA-N","258759",NA,"PDBC28419","88054","Present"
-"6-Methoxytetrahydro-2H-pyran-3-yl methanesulfonate","","","","","","","","","","","","","","","","","","","","6-Methoxytetrahydro-2H-pyran-3-yl methanesulfonate","","COC1CCC(CO1)OS(=O)(=O)C","PPHUCIFEIVTMMF-UHFFFAOYSA-N","375965",NA,"PDBC28420","656319","Present"
-"6-Methyl-1,2,4-benzotriazin-3-amine 1,4-dioxide","","","","","","","","","","","","","","","","","","","","6-Methyl-1,2,4-benzotriazin-3-amine-1,4-dioxide","","CC1=CC2=C(C=C1)[N+](=NC(=[N+]2[O-])N)[O-]","BQGKKNVBQGAZPP-UHFFFAOYSA-N","135405390",NA,"PDBC28421","623598","Present"
-"6-Methyl-1,2,4-benzotriazin-3-amine 1-oxide","","","","","","","","","","","","","","","","","","","","6-Methyl-1,2,4-benzotriazin-3-amine 1-oxide","","CC1=CC2=C(C=C1)[N+](=NC(=N2)N)[O-]","JKOWNWUHWNPUGO-UHFFFAOYSA-N","494409",NA,"PDBC28422","623597","Present"
-"6-Methyl-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","6-Methyl-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","CC1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4F)F","MVEYGWOKRBJXKP-UHFFFAOYSA-N","382386",NA,"PDBC28423","669944","Present"
-"6-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazolo[3,4-d][1,3]oxazin-4-one","","","","","","","","","","","","","","","","","","","","6-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazolo[3,4-d][1,3]oxazin-4-one","","CC1=NC2=C(C=NN2C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C(=O)O1","XXOMXJGBJHKGBV-UHFFFAOYSA-N","45027940",NA,"PDBC28424","740236","Present"
-"6-Methyl-11h-isoindolo[2,1-a]benzimidazol-11-one","","","","","","","","","","","","","","","","","","","","6-Methyl-11h-isoindolo[2,1-a]benzimidazol-11-one","","CC1=C2C(=CC=C1)N3C(=N2)C4=CC=CC=C4C3=O","PFCBNVVMGMVTMP-UHFFFAOYSA-N","377707",NA,"PDBC28425","659298","Present"
-"6-Methyl-2-(2-pyrrolidin-1-ylethylamino)-8-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-1,4-dione","","","","","","","","","","","","","","","","","","","","6-methyl-2-((2-(pyrrolidin-1-yl)ethyl)amino)-8-((4-(trif...","","CC1=CC2=C(C(=C1)OCC3=CC=C(C=C3)C(F)(F)F)C(=O)C(=CC2=O)NCCN4CCCC4","RUUZGAHWFHOPOJ-UHFFFAOYSA-N","155812906",NA,"PDBC28426","778537","Present"
-"6-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","6-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one","","CC1=C(SC=C1)C2=CC(=O)C3=C(N2)N=CC(=C3)C","IZJFLAZOHJGLFN-UHFFFAOYSA-N","395566",NA,"PDBC28427","700272","Present"
-"6-Methyl-2-(4-methylphenoxy)-2-oxo-1,3-dihydro-1,3,2lambda5-diazaphosphinin-4-one","","","","","","","","","","","","","","","","","","","","6-Methyl-2-(4-methylphenoxy)-2,3-dihydro-1,3,2-diazaphosphinin-4(1H)-one 2-oxide","","CC1=CC=C(C=C1)OP2(=O)NC(=CC(=O)N2)C","ASVIYTBDPRIPFT-UHFFFAOYSA-N","373122",NA,"PDBC28428","649064","Present"
-"6-Methyl-2-(N-methylanilino)pyrano[3,2-g][1,3]benzoxazine-4,8-dione","","","","","","","","","","","","","","","","","","","","6-Methyl-2-(N-methylanilino)pyrano[3,2-g][1,3]benzoxazine-4,8-dione","","CC1=CC(=O)OC2=CC3=C(C=C12)C(=O)N=C(O3)N(C)C4=CC=CC=C4","LBFXTYIMKVQBHX-UHFFFAOYSA-N","322547",NA,"PDBC28429","280607","Present"
-"6-Methyl-2-(naphthalen-1-yl)-1,8-naphthyridin-4(1h)-one","","","","","","","","","","","","","","","","","","","","6-Methyl-2-(naphthalen-1-yl)-1,8-naphthyridin-4(1h)-one","","CC1=CC2=C(NC(=CC2=O)C3=CC=CC4=CC=CC=C43)N=C1","KBQRHVUXLRZRAC-UHFFFAOYSA-N","385178",NA,"PDBC28430","676182","Present"
-"6-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","6-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one","","CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=CC(=C3)C","KDLJOBRGZSEPQS-UHFFFAOYSA-N","385183",NA,"PDBC28431","676187","Present"
-"6-Methyl-2-methylthio-4,7(3H,8H)-pteridinedione","","","","","","","","","","","","","","","","","","","","J-007160","","CC1=NC2=C(NC1=O)N=C(NC2=O)SC","BIVZDTOEJMRHRG-UHFFFAOYSA-N","135408970",NA,"PDBC28432","650997","Present"
-"6-Methyl-2-oxo-2H-pyrimido[2,1-b]benzothiazole-4-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","6-Methyl-2-oxo-2H-pyrimido[2,1-b]benzothiazole-4-carboxylic acid methyl ester","","CC1=C2C(=CC=C1)SC3=NC(=O)C=C(N23)C(=O)OC","IVYQDQVQOKGDQP-UHFFFAOYSA-N","397290",NA,"PDBC28433","704843","Present"
-"6-Methyl-2-phenyl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 6-methyl-2-phenyl-","","CC1=CC2=C(NC(=CC2=O)C3=CC=CC=C3)N=C1","WCFSVUHOIXDGEW-UHFFFAOYSA-N","377425",NA,"PDBC28434","658868","Present"
-"6-Methyl-2-phenyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione","","","","","","","","","","","","","","","","","","","","6-Methyl-2-phenyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione","","CN1C2=C(C3C(CC2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C51","YUAHKQSPYRFWRN-UHFFFAOYSA-N","372684",NA,"PDBC28435","648217","Present"
-"6-Methyl-2-phenyl-4H-9lambda(4)-(1,2)dithiolo(5',1':5,1)(1,2)dithiolo(4,3-c)pyran-4-one","","","","","","","","","","","","","","","","","","","","6-Methyl-2-phenyl-4H-9lambda(4)-(1,2)dithiolo(5',1':5,1)(1,2)dithiolo(4,3-c)pyran-4-one","","CC1=CC2=C(C3=S(S2)SC(=C3)C4=CC=CC=C4)C(=O)O1","XQXVZLATYFMXSP-UHFFFAOYSA-N","325384",NA,"PDBC28436","294104","Present"
-"6-Methyl-3-((2-thioxo-1-imidazolidinyl)methylene)-2H-pyran-2,4(3H)-dione","","","","","","","","","","","","","","","","","","","","6-Methyl-3-((2-thioxo-1-imidazolidinyl)methylene)-2H-pyran-2,4(3H)-dione","","CC1=CC(=O)C(=CN2CCNC2=S)C(=O)O1","OYKNLHQQKRLGRK-ALCCZGGFSA-N","3004495",NA,"PDBC28437","657600","Present"
-"6-Methyl-3-(4-nitrophenyl)-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Methyl-3-(4-nitrophenyl)-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4","JGYPJPHLVYPPRA-UHFFFAOYSA-N","398637",NA,"PDBC28438","708787","Present"
-"6-Methyl-3-(8-(6-methyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)octyl)-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole","","","","","","","","","","","","","","","","","","","","6-Methyl-3-[8-(6-methyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)octyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole","","CC1=NC2=NN=C(N2N1)CCCCCCCCC3=NN=C4N3NC(=N4)C","TYOYVBTZIBLEIO-UHFFFAOYSA-N","394073",NA,"PDBC28439","697191","Present"
-"6-Methyl-3-phenyl-1,3-oxazine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-Methyl-3-phenyl-1,3-oxazine-2,4-dione","","CC1=CC(=O)N(C(=O)O1)C2=CC=CC=C2","OJSWDXACASGXDW-UHFFFAOYSA-N","360291",NA,"PDBC28440","622326","Present"
-"6-Methyl-3-phenyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one","","","","","","","","","","","","","","","","","","","","6-methyl-3-phenyl-2-(3,4,5-trimethoxybenzylthio)quinazol...","","CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=CC(=C(C(=C4)OC)OC)OC","OXDZAQXWEQOVBD-UHFFFAOYSA-N","134141634",NA,"PDBC28441","764490","Present"
-"6-Methyl-3-phenyl-2H-1,4-benzoxazin-2-one","","","","","","","","","","","","","","","","","","","","ZUFVCKNPNRKVLV-UHFFFAOYSA-N","","CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=CC=C3","ZUFVCKNPNRKVLV-UHFFFAOYSA-N","374657",NA,"PDBC28442","652757","Present"
-"6-Methyl-3-thioxo-2H-[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Methyl-3-thioxo-2H-[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid","","CC1=C(N2C(=NNC2=S)C3=CC=CC=C13)C(=O)O","JWKOZFYVXQWTDS-UHFFFAOYSA-N","3005872",NA,"PDBC28443","687325","Present"
-"6-Methyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one","","","","","","","","","","","","","","","","","","","","6-Methyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one","","CC1=NNC(=O)C2=C1NC3=C2CC4=CC=CC=C43","XLSCKMYDZWHJPC-UHFFFAOYSA-N","135426742",NA,"PDBC28444","715660","Present"
-"6-Methyl-4-(2-thienyl)-8-(2-thienylmethylene)-4,4a,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine-2(3H)-thione","","","","","","","","","","","","","","","","","","","","(8E)-6-Methyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione","","CN1CC2C(NC(=S)N=C2C(=CC3=CC=CS3)C1)C4=CC=CS4","FMDRPUQOKDUQEP-DHZHZOJOSA-N","5470915",NA,"PDBC28445","706212","Present"
-"6-Methyl-4-(4-methylphenyl)-2,3-diphenyl-2H-chromene","","","","","","","","","","","","","","","","","","","","6-Methyl-4-(4-methylphenyl)-2,3-diphenyl-2H-chromene","","CC1=CC=C(C=C1)C2=C(C(OC3=C2C=C(C=C3)C)C4=CC=CC=C4)C5=CC=CC=C5","SEWKMKWVWIHZKL-UHFFFAOYSA-N","244721",NA,"PDBC28446","55823","Present"
-"6-Methyl-4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]chromen-2-one","","","","","","","","","","","","","","","","","","","","4-((11Z)-(1H-pyrrol-2-yl)(2H-pyrrol-2-ylidene)methyl)-6-...","","CC1=CC2=C(C=C1)OC(=O)C=C2C(=C3C=CC=N3)C4=CC=CN4","HVEWUBXSHABGAI-KNTRCKAVSA-N","155808800",NA,"PDBC28447","788354","Present"
-"6-Methyl-4-phenyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one","","","","","","","","","","","","","","","","","","","","6-Methyl-4-phenyl-3-[(E)-styryl]isoxazolo[3,4-d]pyridazin-7-one","","CN1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C=CC4=CC=CC=C4","UVZGFJXGOWUHIC-OUKQBFOZSA-N","5387845",NA,"PDBC28448","628249","Present"
-"6-Methyl-4-phenyl-4-thiochromanol","","","","","","","","","","","","","","","","","","","","7R-1006","","CC1=CC2=C(C=C1)SCCC2(C3=CC=CC=C3)O","HXFKHHWURCSHAE-UHFFFAOYSA-N","347254",NA,"PDBC28449","405810","Present"
-"6-Methyl-5,7,12-trioxa-1-aza-6-silabicyclo[4.3.3]dodecane","","","","","","","","","","","","","","","","","","","","6-Methyl-5,7,12-trioxa-1-aza-6-silabicyclo[4.3.3]dodecane","","C[Si]12OCCCN(CCO1)CCO2","ITWMDVCUTCPPHI-UHFFFAOYSA-N","362523",NA,"PDBC28450","626550","Present"
-"6-Methyl-5-(4-phenylbutyl)-2,4-pyrimidinediamine","","","","","","","","","","","","","","","","","","","","L06TDN89AB","","CC1=C(C(=NC(=N1)N)N)CCCCC2=CC=CC=C2","FNJDMUJSPSCFQC-UHFFFAOYSA-N","276876",NA,"PDBC28451","125347","Present"
-"6-Methyl-5-[2-(2-hydroxynaphthalene-1-yl)ethenyl]-1,2,4-triazine-3-amine","","","","","","","","","","","","","","","","","","","","6-Methyl-5-[2-(2-hydroxynaphthalene-1-yl)ethenyl]-1,2,4-triazine-3-amine","","CC1=C(N=C(N=N1)N)C=CC2=C(C=CC3=CC=CC=C32)O","RNOYWVKBBRCCNT-BQYQJAHWSA-N","135411226",NA,"PDBC28452","698036","Present"
-"6-Methyl-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-triazine-3-amine","","","","","","","","","","","","","","","","","","","","6-Methyl-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-triazine-3-amine","","CC1=C(N=C(N=N1)N)C=CC2=CC(=C(C(=C2)OC)OC)OC","UKQMNDGJNYOGOD-AATRIKPKSA-N","6413214",NA,"PDBC28453","698035","Present"
-"6-Methyl-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Methyl-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carbonitrile","","CC1CC(=C2NCCN2C1=O)C#N","FXIKAZVSWUJXNC-UHFFFAOYSA-N","383015",NA,"PDBC28454","670999","Present"
-"6-Methyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione","","","","","","","","","","","","","","","","","","","","6H-Indeno[1,2-c]isoquinoline-5,11-dione, 6-methyl-","","CN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","JUNQOARPKFNFHS-UHFFFAOYSA-N","265730",NA,"PDBC28455","102067","Present"
-"6-Methyl-5H-indolo[2,3-b]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-Methyl-5H-indolo[2,3-b]quinolin-11-one","","CN1C2=CC=CC=C2C3=C1NC4=CC=CC=C4C3=O","AMPOKYCOEAMJEQ-UHFFFAOYSA-N","12205646",NA,"PDBC28456","730514","Present"
-"6-Methyl-6-(4-methyl-3-pentenyl)-3-oxabicyclo[3.1.0]hexan-2-one","","","","","","","","","","","","","","","","","","","","NSC679286///NSC679287","","CC(=CCCC1(C2C1C(=O)OC2)C)C","GUCZDYSAJOJBCK-UHFFFAOYSA-N","386748",NA,"PDBC28457","679286///679287","Present"
-"6-Methyl-6h-[1,2,3,4,5]pentathiepino[6,7-b]pyrrole","","","","","","","","","","","","","","","","","","","","1-Methyl-1H-4,5,6,7,8-pentahia-1-aza-azulene","","CN1C=CC2=C1SSSSS2","VKMSHSBRBPPUAW-UHFFFAOYSA-N","406614",NA,"PDBC28458","724854","Present"
-"6-Methyl-7-phenylphthalide","","","","","","","","","","","","","","","","","","","","6-Methyl-7-phenylphthalide","","CC1=C(C2=C(COC2=O)C=C1)C3=CC=CC=C3","DEDGOEWLOGAVSE-UHFFFAOYSA-N","362116",NA,"PDBC28459","625645","Present"
-"6-Methyl-7b-phenyl-1,3a,7a,7b-tetrahydroazireno[1,2-b][1,2]benzisothiazole 3,3-dioxide","","","","","","","","","","","","","","","","","","","","6-Methyl-7b-phenyl-1,3a,7a,7b-tetrahydroazireno[1,2-b][1,2]benzisothiazole 3,3-dioxide","","CC1=CC2C(C=C1)S(=O)(=O)N3C2(C3)C4=CC=CC=C4","UPHYXNAFEYWKJC-UHFFFAOYSA-N","374623",NA,"PDBC28460","652592","Present"
-"6-Methyl-8-(2-nitrophenyl)sulfonyl-1,2,3,4-tetrahydroquinoline","","","","","","","","","","","","","","","","","","","","6-Methyl-8-(2-nitro-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline","","CC1=CC2=C(C(=C1)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NCCC2","LJVCLFHCGDJIDD-UHFFFAOYSA-N","381403",NA,"PDBC28461","667948","Present"
-"6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","CC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)O","IDADLLJOYKJGOF-UHFFFAOYSA-N","358790",NA,"PDBC28462","618859","Present"
-"6-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol","","","","","","","","","","","","","","","","","","","","6-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol","","CC1=CC2=C(C=C1)NC3=C2C(=O)NC(=O)N3","HSCXFKFIMPYGMP-UHFFFAOYSA-N","387242",NA,"PDBC28463","680817","Present"
-"6-Methyl-N'-phenyl-3-sulfanylidene-2H-[1,2,4]triazolo[3,4-a]isoquinoline-5-carbohydrazide","","","","","","","","","","","","","","","","","","","","6-Methyl-N'-phenyl-3-sulfanylidene-2H-[1,2,4]triazolo[3,4-a]isoquinoline-5-carbohydrazide","","CC1=C(N2C(=NNC2=S)C3=CC=CC=C13)C(=O)NNC4=CC=CC=C4","MJRUJKFFSGXJIB-UHFFFAOYSA-N","3005873",NA,"PDBC28464","687326","Present"
-"6-Methyl-N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","6-Methyl-N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-3-carboxamide","","CC1=NC=C(C=C1)C(=O)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3","XPJXCLBIQQPFFP-LPYMAVHISA-N","45028963",NA,"PDBC28465","745062","Present"
-"6-Methyl-N-phenyl-6H-indolo[2,3-B]quinolin-11-amine","","","","","","","","","","","","","","","","","","","","6-Methyl-N-phenyl-6H-indolo[2,3-B]quinolin-11-amine","","CN1C2=CC=CC=C2C3=C(C4=CC=CC=C4N=C31)NC5=CC=CC=C5","PPEMCIOSQLXPRB-UHFFFAOYSA-N","24203281",NA,"PDBC28466","727483","Present"
-"6-Methyl-coumarin-4-acetic acid","","","","","","","","","","","","","","","","","","","","6-Methyl-coumarin-4-acetic acid","","CC1=CC2=C(C=C1)OC(=O)C=C2CC(=O)O","DAOGIXQKZLJBBB-UHFFFAOYSA-N","370163",NA,"PDBC28467","642905","Present"
-"6-Methyl[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Methyl[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid","","CC1=C(N2C=NN=C2C3=CC=CC=C13)C(=O)O","BQCHDOMXFVYBCY-UHFFFAOYSA-N","390177",NA,"PDBC28468","687324","Present"
-"6-Methylanthracene-1,2,8-triol","","","","","","","","","","","","","","","","","","","","Chrysarobin","","CC1=CC2=C(C=C3C(=C2)C=CC(=C3O)O)C(=C1)O","CBEBNXQBODNTIB-UHFFFAOYSA-N","221502",NA,"PDBC28469","6152","Present"
-"6-Methylbenzimidazo[2,1-a]isoquinoline-5-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Methylbenzimidazo[2,1-a]isoquinoline-5-carbonitrile","","CC1=C(C2=CC=CC=C2C3=NC4=CC=CC=C4N13)C#N","KWWBYCSMNGLBLX-UHFFFAOYSA-N","393408",NA,"PDBC28470","695251","Present"
-"6-Methylbenzimidazolo[1,2-a]quinolin-10-ol","","","","","","","","","","","","","","","","","","","","6-Methylbenzimidazo[1,2-a]quinolin-10-ol","","CC1=CC2=CC=CC=C2N3C1=NC4=C3C=C(C=C4)O","VTOKYGJGDSMCLZ-UHFFFAOYSA-N","379118",NA,"PDBC28471","663332","Present"
-"6-Methylbenzimidazolo[1,2-a]quinoline","","","","","","","","","","","","","","","","","","","","6-Methylbenzimidazo[1,2-a]quinoline","","CC1=CC2=CC=CC=C2N3C1=NC4=CC=CC=C43","MWJNCARPMWGPBR-UHFFFAOYSA-N","378353",NA,"PDBC28472","660435","Present"
-"6-Methylcyclopenta[d]naphtho[1,2-b]pyran-2,11-diol","","","","","","","","","","","","","","","","","","","","16-Methyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9,11,13,15-octaene-5,8-diol","","CC1=C2C=CC=C2C3=CC(=C4C=C(C=CC4=C3O1)O)O","SVMFVMNFRYHQRJ-UHFFFAOYSA-N","403547",NA,"PDBC28473","718567","Present"
-"6-Methylene-4-(4-(methylthio)butyl)-1-thiaspiro[4.11]hexadecane","","","","","","","","","","","","","","","","","","","","6-Methylene-4-(4-(methylthio)butyl)-1-thiaspiro[4.11]hexadecane","","CSCCCCC1CCSC12CCCCCCCCCCC2=C","HOFZDTZMKCWGHW-UHFFFAOYSA-N","380706",NA,"PDBC28474","666412","Present"
-"6-Methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide","","","","","","","","","","","","","","","","","","","","ZX-AT026168","","CC1=C(N2C=CSC2=N1)C(=O)NN","LPBZKHDAKWWKDV-UHFFFAOYSA-N","373104",NA,"PDBC28475","649046","Present"
-"6-Methylisoindolo[1,2-a]quinoxalin-4(5H)-one","","","","","","","","","","","","","","","","","","","","6-methylisoindolo[1,2-a]quinoxalin-4(5H)-one","","CC1=C2C(=CC=C1)N3C=C4C=CC=CC4=C3C(=O)N2","SYDOFTITSJEAJU-UHFFFAOYSA-N","24205091",NA,"PDBC28476","734236","Present"
-"6-Methylpyrazolo[1,5-a]pyrido[3,4-e]pyrimidine","","","","","","","","","","","","","","","","","","","","6-Methylpyrazolo[1,5-a]pyrido[3,4-e]pyrimidine","","CC1=NC=CC2=C1C=NC3=CC=NN23","LKJSPXBKQDWJLJ-UHFFFAOYSA-N","373161",NA,"PDBC28477","649104","Present"
-"6-Methylpyrido[3',4':4,5]thieno[2,3-g]isoquinoline","","","","","","","","","","","","","","","","","","","","Pyrido[3',4':4,5]thieno[2,3-g]isoquinoline, 6-methyl-","","CC1=C2C=CN=CC2=CC3=C1SC4=C3C=NC=C4","PLSOBUFESKZPQJ-UHFFFAOYSA-N","371812",NA,"PDBC28478","646278","Present"
-"6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione","","","","","","","","","","","","","","","","","","","","6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione","","CSC1=NC2=C(C(=O)N1)N=C3C(C(N2)C4=CC=CC=C4)C(=O)C5=CC=CC=C53","GPTJGBNSZLLOCJ-UHFFFAOYSA-N","135958523",NA,"PDBC28479","746604","Present"
-"6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaen-4-amine","","","","","","","","","","","","","","","","","","","","6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaen-4-amine","","CSC1=NC(=C2C(=N1)NC(C3CCC4=CC=CC=C4C3=N2)C5=CC=CC=C5)N","BGEBAYSYLQCBJE-UHFFFAOYSA-N","54612800",NA,"PDBC28480","750685","Present"
-"6-Methylsulfanyl-2,4-diphenyl-5H-pyrido[3,2-d][1]benzazepine","","","","","","","","","","","","","","","","","","","","6-Methylsulfanyl-2,4-diphenyl-5H-pyrido[3,2-d][1]benzazepine","","CSC1=NC2=CC=CC=C2C3=C(C1)C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5","WMLMTJCOZQUYLX-UHFFFAOYSA-N","384149",NA,"PDBC28481","673437","Present"
-"6-Methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","6-(Methylsulfanyl)-2-propyl-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one","","CCCN1C=C2C(=O)NC(=NC2=N1)SC","BBZKILGSJWOVQG-UHFFFAOYSA-N","135503405",NA,"PDBC28482","622928","Present"
-"6-Methylsulfanyl-9-oxo-17-thia-5,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Methylsulfanyl-9-oxo-17-thia-5,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile","","CSC1=NC=C2C(=C3N(C4=CC=CC=C4S3)C(=O)C2=N1)C#N","GDMAFHSSWYELAM-UHFFFAOYSA-N","390691",NA,"PDBC28483","688323","Present"
-"6-Methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile","","CSC1=NC=C2C(=C3NC4=CC=CC=C4N3C(=O)C2=N1)C#N","RJULJOABIGVIFL-UHFFFAOYSA-N","390930",NA,"PDBC28484","689176","Present"
-"6-Methylsulfonyl-2-(4-hydroxyphenyl)benzothiazole","","","","","","","","","","","","","","","","","","","","6-Methylsulfonyl-2-(4-hydroxyphenyl)benzothiazole","","CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)O","QZZNLZTWVLQFBU-UHFFFAOYSA-N","405002",NA,"PDBC28485","721656","Present"
-"6-Methylthio-9-(2-carbo-t-butoxyethyl)purine","","","","","","","","","","","","","","","","","","","","6-Methylthio-9-(2-carbo-t-butoxyethyl)purine","","CC(C)(C)OC(=O)CCN1C=NC2=C1N=CN=C2SC","GJCIPGHZMOIIGU-UHFFFAOYSA-N","383744",NA,"PDBC28486","672184","Present"
-"6-Methylthio-9-(2-carbomethoxyethyl)purine","","","","","","","","","","","","","","","","","","","","6-Methylthio-9-(2-carbomethoxyethyl)purine","","COC(=O)CCN1C=NC2=C1N=CN=C2SC","JVCRRSREYNJAOI-UHFFFAOYSA-N","383741",NA,"PDBC28487","672181","Present"
-"6-Methylthio-9-(2-carboxyethyl)purine","","","","","","","","","","","","","","","","","","","","6-Methylthio-9-(2-carboxyethyl)purine","","CSC1=NC=NC2=C1N=CN2CCC(=O)O","JXNSAEJCRPWCGP-UHFFFAOYSA-N","383743",NA,"PDBC28488","672183","Present"
-"6-Methylthio-9-(2-cyanoethylethyl)purine","","","","","","","","","","","","","","","","","","","","6-Methylthio-9-(2-cyanoethylethyl)purine","","CSC1=NC=NC2=C1N=CN2CCC#N","UWCPLQZPYOIAPE-UHFFFAOYSA-N","383742",NA,"PDBC28489","672182","Present"
-"6-Morpholin-4-yl-2-phenyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","6-(Morpholin-4-yl)-2-phenylquinolin-4(1H)-one","","C1COCCN1C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4","CDLDNONKTVBHFT-UHFFFAOYSA-N","381131",NA,"PDBC28490","667448","Present"
-"6-Morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","2-Allyl-6-morpholin-4-yl-benzo[de]isoquinoline-1,3-dione","","C=CCN1C(=O)C2=C3C(=C(C=C2)N4CCOCC4)C=CC=C3C1=O","HXBXMNCIDQBCHE-UHFFFAOYSA-N","619416",NA,"PDBC28491","781010","Present"
-"6-Morpholin-4-yl-7,8,9,10-tetrahydro-phenanthridine","","","","","","","","","","","","","","","","","","","","6-(Morpholin-4-yl)-7,8,9,10-tetrahydrophenanthridine","","C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCOCC4","PQFPGVBGDZEYHR-UHFFFAOYSA-N","399480",NA,"PDBC28492","710331","Present"
-"6-N-(3,5-Dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine","","","","","","","","","","","","","","","","","","","","N6-(3,5-dimethylphenyl)-N2-(2-morpholinoethyl)-3-nitropy...","","CC1=CC(=CC(=C1)NC2=NC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3)C","UIZNRSGQTXFMOF-UHFFFAOYSA-N","155805682",NA,"PDBC28493","780957","Present"
-"6-N-(4-Morpholino)-7-chloro-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","6-N-(4-Morpholino)-7-chloro-5,8-quinolinedione","","C1COCCN1C2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl","RMIQPWZCLKZDEM-UHFFFAOYSA-N","379074",NA,"PDBC28494","663281","Present"
-"6-N-Hydroxylaminopurine","","","","","","","","","","","","","","","","","","","","HAP (VAN)","","C1=NC2=C(N1)C(=NC=N2)NO","CBCQWVQNMGNYEO-UHFFFAOYSA-N","21876",NA,"PDBC28495","516286","Present"
-"6-N-Phenyl-7H-purine-2,6-diamine","","","","","","","","","","","","","","","","","","","","STK629701","","C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)N","AWRCGEJILTVONY-UHFFFAOYSA-N","3618608",NA,"PDBC28496","29611","Present"
-"6-N-[(3,4-Dichlorophenyl)methyl]-6-N-ethyl-5-methylquinazoline-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","2,4,6-Quinazolinetriamine, N(6)-[(3,4-dichlorophenyl)met...","","CCN(CC1=CC(=C(C=C1)Cl)Cl)C2=C(C3=C(C=C2)N=C(N=C3N)N)C","VADOLDYAUSTMFK-UHFFFAOYSA-N","312901",NA,"PDBC28497","225112","Present"
-"6-N-[2-[5-(Diethylamino)pentan-2-ylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","6-N-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimi...","","CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C.Cl","URTRMMHOVZQXRF-UHFFFAOYSA-N","54603599",NA,"PDBC28498","23766","Present"
-"6-Naphthalen-2-ylsulfonyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","2,4-Quinazolinediamine, 5,6,7,8-tetrahydro-6-(2-naphthal...","","C1CC2=C(CC1S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=NC(=N2)N)N","RVGOYYJACXCEJO-UHFFFAOYSA-N","173733",NA,"PDBC28499","305802","Present"
-"6-Nitro-1-(p-tolylsulfonyl)indolin-5-ol","","","","","","","","","","","","","","","","","","","","6-Nitro-1-(p-tolylsulfonyl)indolin-5-ol","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C32)[N+](=O)[O-])O","XLFMHKVIDVPBAY-UHFFFAOYSA-N","394448",NA,"PDBC28500","697922","Present"
-"6-Nitro-1-oxido-2-phenyl-indol-1-ium-3-one","","","","","","","","","","","","","","","","","","","","6-nitro-1-oxido-2-phenyl-indol-1-ium-3-one","","C1=CC=C(C=C1)C2=[N+](C3=C(C2=O)C=CC(=C3)[N+](=O)[O-])[O-]","MEVHNAIHZXKVHL-UHFFFAOYSA-N","362365",NA,"PDBC28501","626111","Present"
-"6-Nitro-1-phenyl-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","6-Nitro-1-phenyl-9H-pyrido[3,4-b]indole","","C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=C(C=C4)[N+](=O)[O-]","CSXDXDQRTCVJRZ-UHFFFAOYSA-N","359450",NA,"PDBC28502","620315","Present"
-"6-Nitro-2,3-bis(2-pyridyl)quinoxaline","","","","","","","","","","","","","","","","","","","","6-Nitro-2,3-bis(2-pyridyl)quinoxaline","","C1=CC=NC(=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C4=CC=CC=N4","KIBYVRORTKFSMR-UHFFFAOYSA-N","391175",NA,"PDBC28503","690016","Present"
-"6-Nitro-2-(3-chloropropyl)-1h-benz[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","6-Nitro-2-(3-chloropropyl)-1H-benz[de]isoquinoline-1,3-d...","","C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCCl)[N+](=O)[O-]","LLJBMNWXSOWIFM-UHFFFAOYSA-N","24857311",NA,"PDBC28504","767838","Present"
-"6-Nitro-2-[4-(6-nitro-1-oxido-3-oxo-indol-1-ium-2-yl)phenyl]-1-oxido-indol-1-ium-3-one","","","","","","","","","","","","","","","","","","","","6-Nitro-2-[4-(6-nitro-1-oxido-3-oxo-indol-1-ium-2-yl)phenyl]-1-oxido-indol-1-ium-3-one","","C1=CC(=C2C(=O)C3=C([N+]2=O)C=C(C=C3)[N+](=O)[O-])C=CC1=C4C(=O)C5=C(N4[O-])C=C(C=C5)[N+](=O)[O-]","CRVBTIMACCESNM-UHFFFAOYSA-N","365640",NA,"PDBC28505","633494","Present"
-"6-Nitro-2-chromanone","","","","","","","","","","","","","","","","","","","","6-Nitro-2-chromanone","","C1CC(=O)OC2=C1C=C(C=C2)[N+](=O)[O-]","GOHGBRHKCJJPJO-UHFFFAOYSA-N","266739",NA,"PDBC28506","105511","Present"
-"6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium","","","","","","","","","","","","","","","","","","","","Benzofurazan, 5-nitro-6-(1-piperidinyl)-, 1-oxide","","C1CCN(CC1)C2=CC3=[N+](ON=C3C=C2[N+](=O)[O-])[O-]","JVZAGLAAFBGAEY-UHFFFAOYSA-N","313603",NA,"PDBC28507","228132","Present"
-"6-Nitro-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione","","","","","","","","","","","","","","","","","","","","6-Nitro-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione","","C1=CC2=NC(=S)NN2C=C1[N+](=O)[O-]","TWVJAVUBOYKJHM-UHFFFAOYSA-N","4593437",NA,"PDBC28508","116465","Present"
-"6-Nitro-4,5-dihydro-3H-naphtho[1,8-bc]furan","","","","","","","","","","","","","","","","","","","","6-Nitro-4,5-dihydro-3H-naphtho[1,8-bc]furan","","C1CC2=COC3=C2C(=C(C=C3)[N+](=O)[O-])C1","MNGPOBLFVWFZTC-UHFFFAOYSA-N","361609",NA,"PDBC28509","624794","Present"
-"6-Nitro-5-[2-(6-nitroquinolin-5-yl)ethyl]quinoline","","","","","","","","","","","","","","","","","","","","Quinoline, 5,5'-(1,2-ethanediyl)bis[6-nitro-","","C1=CC2=C(C=CC(=C2CCC3=C(C=CC4=C3C=CC=N4)[N+](=O)[O-])[N+](=O)[O-])N=C1","ZEBXQNPPSLVDEJ-UHFFFAOYSA-N","387119",NA,"PDBC28510","680517","Present"
-"6-Nitro-7,11b-dihydro-6aH-benzo[c]carbazole-1,4-diol","","","","","","","","","","","","","","","","","","","","6-Nitro-7,11b-dihydro-6aH-benzo[c]carbazole-1,4-diol","","C1=CC=C2C(=C1)C3C(N2)C(=CC4=C(C=CC(=C34)O)O)[N+](=O)[O-]","OHDZKMKDJDZEMK-UHFFFAOYSA-N","5177983",NA,"PDBC28511","704287","Present"
-"6-Nitro-N,N'-diphenylquinoxaline-2,3-diamine","","","","","","","","","","","","","","","","","","","","GNF-Pf-2168","","C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2NC4=CC=CC=C4","RPNCMLPRXMCLPW-UHFFFAOYSA-N","3793309",NA,"PDBC28512","671425","Present"
-"6-Nitrobenzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","EU-0067869","","C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)[N+](=O)[O-]","IUMNWHADVMZBJV-UHFFFAOYSA-N","372023",NA,"PDBC28513","646839","Present"
-"6-Nitrobenzo[g]quinoxaline-5,10-dione","","","","","","","","","","","","","","","","","","","","6-Nitrobenzo[g]quinoxaline-5,10-dione","","C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=NC=CN=C3C2=O","NXVAFOXTJCRFRX-UHFFFAOYSA-N","338711",NA,"PDBC28514","362342","Present"
-"6-Nitrocholest-5-en-3-ol","","","","","","","","","","","","","","","","","","","","NSC128354","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=C4C3(CCC(C4)O)C)[N+](=O)[O-])C","PGRKJDDEUNIWAZ-UHFFFAOYSA-N","278623",NA,"PDBC28515","128354","Present"
-"6-Nitroquinazoline-2,4-dithiol","","","","","","","","","","","","","","","","","","","","NSC658282","","C1=CC2=C(C=C1[N+](=O)[O-])C(=S)NC(=S)N2","NKDACMNNKDCSOT-UHFFFAOYSA-N","3005855",NA,"PDBC28516","658282","Present"
-"6-Nitrotetrazolo[1,5-a]pyridine","","","","","","","","","","","","","","","","","","","","3-nitro-1,7,8,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene","","C1=CC2=NN=NN2C=C1[N+](=O)[O-]","FVSDBFPXGMEACC-UHFFFAOYSA-N","346452",NA,"PDBC28517","404687","Present"
-"6-O-(Benzyl(hydroxy)phosphoryl)hexose ammoniate","","","","","","","","","","","","","","","","","","","","6-O-(Benzyl(hydroxy)phosphoryl)hexose ammoniate","","C1=CC=C(C=C1)CP(=O)(O)OCC(C(C(C(C=O)O)O)O)O","SCFQXMYKBGDUBB-UHFFFAOYSA-N","379334",NA,"PDBC28518","663880","Present"
-"6-O-Benzyl-1-deoxy-1-(dimethoxyphosphoryl)-3,4-O-(1-methylethylidene)hex-2-ulose","","","","","","","","","","","","","","","","","","","","(3R,4R)-(-)-6-O-Benzyl -1-deoxy-1-(dimethyl- phosphono)-...","","CC1(OC(C(O1)C(=O)CP(=O)(OC)OC)C(COCC2=CC=CC=C2)O)C","ZCJBSRLDSKBYPZ-UHFFFAOYSA-N","368558",NA,"PDBC28519","639627","Present"
-"6-O-Cyclohexylmethyl guanine","","","","","","","","","","","","","","","","","","","","2-amino-6-cyclohexylmethoxypurine","","C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N","MWGXGTJJAOZBNW-UHFFFAOYSA-N","4564",NA,"PDBC28520","707619","Present"
-"6-O-Ethyl 2-O-methyl 5-(2-ethenylphenyl)-7-methyl-3-oxo-5H-[1,3]oxazolo[3,2-a]pyrimidine-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","6-O-Ethyl 2-O-methyl 5-(2-ethenylphenyl)-7-methyl-3-oxo-5H-[1,3]oxazolo[3,2-a]pyrimidine-2,6-dicarboxylate","","CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3C=C)C(=O)C(O2)C(=O)OC)C","IOFPJFJRMMFRDS-UHFFFAOYSA-N","396654",NA,"PDBC28521","703168","Present"
-"6-O-Palmitoylascorbic acid","","","","","","","","","","","","","","","","","","","","quicifal","","CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O","QAQJMLQRFWZOBN-UHFFFAOYSA-N","54676825",NA,"PDBC28522","402451","Present"
-"6-O/N[4'-Nitroacridone-9'(10H)-yl-7'-hydroxyl]-1'-aminocapronoyl/-MDP","","","","","","","","","","","","","","","","","","","","6-O/N[4'-Nitroacridone-9'(10H)-yl-7'-hydroxyl]-1'- amino...","","CC(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)C(C)OC2C(C(OC(C2O)COC(=O)CCCCCNC3=C4C(=C(C=C3)[N+](=O)[O-])NC5=C(C4=O)C=C(C=C5)O)OCC6=CC=CC=C6)NC(=O)C","QPTTWXLIEFYNIN-AANDMGIWSA-N","6711922",NA,"PDBC28523","646614","Present"
-"6-O[N-(3'-Chloro-7'-methoxyacridyl-9')-beta-alanyl]-muramyl dipeptide","","","","","","","","","","","","","","","","","","","","6-O[N-(3'-chloro-7'-methoxyacridyl-9')-.beta.-alanyl]-mu...","","CC(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC(C(C=O)NC(=O)C)C(C(COC(=O)CCNC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O)O","QSJYOXMWCXARLE-UKYRHMGSSA-N","5388183",NA,"PDBC28524","633091","Present"
-"6-O[N-1'-Nitroacridyl-9')-beta-alanyl]muramyl dipeptide","","","","","","","","","","","","","","","","","","","","6-O[N-1'-nitroacridyl-9')-.beta.-alanyl]muramyl dipeptide","","CC(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC(C(C=O)NC(=O)C)C(C(COC(=O)CCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])O)O","RQYHZSZGMMPZJQ-PERXSCTPSA-N","5388185",NA,"PDBC28525","633093","Present"
-"6-Oxabicyclo[3.2.1]oct-2-en-7-one","","","","","","","","","","","","","","","","","","","","6-Oxabicyclo[3.2.1]oct-2-en-7-one","","C1C=CC2CC1OC2=O","LEPIIFKETJFCNZ-UHFFFAOYSA-N","359287",NA,"PDBC28526","620031","Present"
-"6-Oxabicyclo[3.2.1]oct-3-en-7-one","","","","","","","","","","","","","","","","","","","","6-Oxabicyclo[3.2.1]-oct-3-en-7-one","","C1C=CC2CC1C(=O)O2","TVEXGJYMHHTVKP-UHFFFAOYSA-N","376759",NA,"PDBC28527","657815","Present"
-"6-Oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2-carbonitrile","","C1CC(=O)CC2C1CN(CC2)C#N","LAEFDLSCDNGKML-UHFFFAOYSA-N","359209",NA,"PDBC28528","619918","Present"
-"6-Oxo-1-phenyl-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile","","","","","","","","","","","","","","","","","","","","6-Oxo-1-phenyl-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile","","C1CCN(C1)C2=C(C(=O)N(C=N2)C3=CC=CC=C3)C#N","IZTJVZBYMUNPAN-UHFFFAOYSA-N","385034",NA,"PDBC28529","675887","Present"
-"6-Oxo-2,3,3a,5-tetrahydro-1H-indene-4,4-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","6-Oxo-2,3,3a,5-tetrahydro-1H-indene-4,4-dicarboxylic acid","","C1CC2C(=CC(=O)CC2(C(=O)O)C(=O)O)C1","YIYJHSHLMRDXEL-UHFFFAOYSA-N","359546",NA,"PDBC28530","620530","Present"
-"6-Oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylic acid","","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)C(=O)O","HPQFHRUCKCVBBP-UHFFFAOYSA-N","400255",NA,"PDBC28531","711783","Present"
-"6-Oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","6-Oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide","","C1C2=C(N=CN2CC(=O)N1)C(=O)N","BJLDFRKSDBEREC-UHFFFAOYSA-N","391123",NA,"PDBC28532","689741","Present"
-"6-Oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carbonitrile","","","","","","","","","","","","","","","","","","","","Indolo[3,4-d]benzazepin-6(5H)-one, 9-cyano-7,12-dihydro-","","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)C#N","LBVIZFWUIQSZHP-UHFFFAOYSA-N","397216",NA,"PDBC28533","704626","Present"
-"6-Oxobenzo[c]quinolizine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","STL321638","","C1=CC=C2C(=C1)C(=O)C(=C3N2C=CC=C3)C#N","XTXMHKVVENPWKZ-UHFFFAOYSA-N","391670",NA,"PDBC28534","691212","Present"
-"6-Oxobicyclo[2.2.1]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","FCH845309","","C1C2CC(C1C(=O)C2)C(=O)O","RUOYCLYBCGDWPG-UHFFFAOYSA-N","361987",NA,"PDBC28535","625465","Present"
-"6-Oxochelidonine","","","","","","","","","","","","","","","","","","","","14-Chelidoninone","","CN1C2C(C(CC3=CC4=C(C=C23)OCO4)O)C5=C(C1=O)C6=C(C=C5)OCO6","UPVAYLMWVRMHNE-UHFFFAOYSA-N","268004",NA,"PDBC28536","108018","Present"
-"6-Penta-1,3-diynylpyran-2-one","","","","","","","","","","","","","","","","","","","","NSC109292","","CC#CC#CC1=CC=CC(=O)O1","UWYAPVRBARIIOV-UHFFFAOYSA-N","265580",NA,"PDBC28537","109292","Present"
-"6-Pentyl-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","6-amyl-alpha-pyrone","","CCCCCC1=CC=CC(=O)O1","MAUFTTLGOUBZNA-UHFFFAOYSA-N","33960",NA,"PDBC28538","721361","Present"
-"6-Phenyl-12,13-dimethyl-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione","","","","","","","","","","","","","","","","","","","","3,23-Dimethyl-13-phenyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)N(C4=O)C7=CC=CC=C7","ZBZAJZYSWLQWLY-UHFFFAOYSA-N","392066",NA,"PDBC28539","691878","Present"
-"6-Phenyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrrolo[3,2-e][1,2,4]triazin-3-one","","","","","","","","","","","","","","","","","","","","6-Phenyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrrolo[3,2-e][1,2,4]triazin-3-one","","C1=CC=C(C=C1)C2=CC3=NC(=O)N(N=C3N2)C4=C(C=C(C=C4Cl)Cl)Cl","MKUKQTWFQRECAI-UHFFFAOYSA-N","135408947",NA,"PDBC28540","647463","Present"
-"6-Phenyl-2-sulfanyl-4-(2-thienyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Phenyl-2-sulfanyl-4-thiophen-2-yl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile","","C1=CC=C(C=C1)C2=CC(C(=C(N2C3C(C(C(C(O3)CO)O)O)O)S)C#N)C4=CC=CS4","SSZDHVOMNOQWBF-UHFFFAOYSA-N","385418",NA,"PDBC28541","676598","Present"
-"6-Phenyl-2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiin-5-one","","","","","","","","","","","","","","","","","","","","6-Phenyl-2-thioxo[1,3]dithiolo[4,5-b][1,4]dithiin-5(6H)-one","","C1=CC=C(C=C1)C2C(=O)SC3=C(S2)SC(=S)S3","UFYSADLNODHZMC-UHFFFAOYSA-N","362961",NA,"PDBC28542","627452","Present"
-"6-Phenyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one","","","","","","","","","","","","","","","","","","","","6-Phenyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one","","C1C2=CC=CC=C2C3=C1C4=C(N3)C(=NNC4=O)C5=CC=CC=C5","FAHPAVLLYOBAND-UHFFFAOYSA-N","135426740",NA,"PDBC28543","715657","Present"
-"6-Phenyl-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol","","","","","","","","","","","","","","","","","","","","6-phenyl-5H-thiazolo[3,2-b][1,2,4]triazol-6-ol","","C1C(N2C(=NC=N2)S1)(C3=CC=CC=C3)O","OGKUWBNMTGOHER-UHFFFAOYSA-N","388416",NA,"PDBC28544","683324","Present"
-"6-Phenyl-5,7-dihydrobenzo[d][6,7,1,3,2]benzodithiadiazaphosphonine 6-oxide","","","","","","","","","","","","","","","","","","","","6-Phenyl-5,7-dihydrobenzo[d][6,7,1,3,2]benzodithiadiazaphosphonine 6-oxide","","C1=CC=C(C=C1)P2(=O)NC3=CC=CC=C3SSC4=CC=CC=C4N2","YYULIQYMLPUXTK-UHFFFAOYSA-N","360396",NA,"PDBC28545","622461","Present"
-"6-Phenyl-5-[(e)-phenyldiazenyl]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-Phenyl-5-[(e)-phenyldiazenyl]pyrimidine-2,4-diamine","","C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)N)N=NC3=CC=CC=C3","LLHNBVSNRYDYGX-UHFFFAOYSA-N","263983",NA,"PDBC28546","98710","Present"
-"6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CC=C4","YACAQGYKZIDSJC-UHFFFAOYSA-N","372269",NA,"PDBC28547","647325","Present"
-"6-Phenyl-6,7-dihydro[1,3]thiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(3H)-one","","","","","","","","","","","","","","","","","","","","11-Phenyl-10-thia-1,4,5,6,8-pentazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one","","C1C(SC2=NC3=NNN=C3C(=O)N21)C4=CC=CC=C4","LLZMOVWLTUEUIZ-UHFFFAOYSA-N","376968",NA,"PDBC28548","658168","Present"
-"6-Phenyl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diol","","","","","","","","","","","","","","","","","","","","6-Phenyl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diol","","C1C(SC2=C1NC(=O)NC2=O)C3=CC=CC=C3","BTLHGUFEUSTGAN-UHFFFAOYSA-N","385453",NA,"PDBC28549","676691","Present"
-"6-Phenyl-6H-indeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","6-Phenyl-6H-indeno[1,2-c]isoquinoline-5,11-dione","","C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53","WSCFBMNKAKJCHD-UHFFFAOYSA-N","334247",NA,"PDBC28550","338643","Present"
-"6-Phenyl-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","6-Phenyl-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine","","C1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl","HVEPLVGFUNETRM-UHFFFAOYSA-N","11243686",NA,"PDBC28551","731103","Present"
-"6-Phenyl[1,3,2]benzoxazaborolo[2,3-b][1,3,2]benzoxazaborol-6-uide","","","","","","","","","","","","","","","","","","","","6-Phenyl[1,3,2]benzoxazaborolo[2,3-b][1,3,2]benzoxazaborol-6-uide","","","","",NA,"PDBC28552","626173","Present"
-"6-Phenylpyridazin-3(2H)-one","","","","","","","","","","","","","","","","","","","","6-phenylpyridazinone","","C1=CC=C(C=C1)C2=NNC(=O)C=C2","IJUIPRDMWWBTTQ-UHFFFAOYSA-N","75106",NA,"PDBC28553","13399","Present"
-"6-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine","","C1=CC=C(C=C1)C2=CC3=C(N=C(N=C3N=C2)N)N","BMYJLCQMYCKQCH-UHFFFAOYSA-N","385628",NA,"PDBC28554","676974","Present"
-"6-Phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl butyrate","","","","","","","","","","","","","","","","","","","","6-Phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl butyrate","","CCCC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC=C4","LILWTEOGNVXVQO-UHFFFAOYSA-N","378546",NA,"PDBC28555","661181","Present"
-"6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione","","","","","","","","","","","","","","","","","","","","6-Phenylthio-7H-benzocycloheptene-1,4,7-trione","","C1=CC=C(C=C1)SC2=CC3=C(C=CC2=O)C(=O)C=CC3=O","UNYVVXCBULOCHL-UHFFFAOYSA-N","368857",NA,"PDBC28556","640192","Present"
-"6-Phenyltetrahydro-4(1H)-pyrimidinone","","","","","","","","","","","","","","","","","","","","6-phenylhexahydropyrimidin-4-one","","C1C(NCNC1=O)C2=CC=CC=C2","QCKRAMDNVJZRBF-UHFFFAOYSA-N","362312",NA,"PDBC28557","625948","Present"
-"6-Pivaloyl-7-hydroxy-5H-dibenzo[a,c]cyclohepten-5-one","","","","","","","","","","","","","","","","","","","","9-(2,2-Dimethylpropanoyl)-10-hydroxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one","","CC(C)(C)C(=O)C1=C(C2=CC=CC=C2C3=CC=CC=C3C1=O)O","XRMUZEOSJGVGAM-UHFFFAOYSA-N","394827",NA,"PDBC28558","698679","Present"
-"6-Prenylchrysoeriol","","","","","","","","","","","","","","","","","","","","6-prenylchrysoeriol","","CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)OC)O)C","IXCUTZUASDSIJO-UHFFFAOYSA-N","403815",NA,"PDBC28559","719330","Present"
-"6-Propoxy-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","6-Propoxy-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","CCCOC1=NC(=C2C=NN(C2=N1)C3CCCCO3)N","ZRRGMQDFRXRSHT-UHFFFAOYSA-N","366103",NA,"PDBC28560","634377","Present"
-"6-Propyl-2,9-methylenedioxy-11H-indeno-1, 2-c]isoquinolinium Nonaflate","","","","","","","","","","","","","","","","","","","","6-Propyl-2,3-methylenedioxy-8,9-methylenedioxy-11H-inden...","","CCC[N+]1=CC2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C4)OCO6)OCO3.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F","FUOIDOMSKFFDKZ-UHFFFAOYSA-M","45027902",NA,"PDBC28561","737132","Present"
-"6-Pyridin-3-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-(Pyridin-3-yl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CN=CC=C4","TWZOXLYMSUEJJR-UHFFFAOYSA-N","375864",NA,"PDBC28562","656162","Present"
-"6-Pyridin-4-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-(Pyridin-4-yl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=NC=C4","DLYSJTLASFOZBV-UHFFFAOYSA-N","376371",NA,"PDBC28563","657273","Present"
-"6-Pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","NSC801799///NSC801800///NSC803405","","C1CCN(C1)C2=CC3=C(C=C2)N=C(C=C3N)C4=CC(=CC=C4)OC(F)(F)F","JOGCPGCVMKCCRI-UHFFFAOYSA-N","155809597",NA,"PDBC28564","801799///801800///803405","Present"
-"6-Pyrrolidin-1-yltetrazolo[1,5-b]pyridazine","","","","","","","","","","","","","","","","","","","","STK208923","","C1CCN(C1)C2=NN3C(=NN=N3)C=C2","ZGIBOLRGEOJQNS-UHFFFAOYSA-N","392990",NA,"PDBC28565","694232","Present"
-"6-Quinolin-3-yl-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-Quinolin-3-yl-1,3,5-triazine-2,4-diamine","","C1=CC=C2C(=C1)C=C(C=N2)C3=NC(=NC(=N3)N)N","ZLRYWZMZVKFOLI-UHFFFAOYSA-N","395256",NA,"PDBC28566","699728","Present"
-"6-Tert-Butyl 1-methyl 2-benzyl-4-((tert-butoxycarbonyl)amino)-3-oxohexanedioate","","","","","","","","","","","","","","","","","","","","6-Tert-Butyl 1-methyl 2-benzyl-4-((tert-butoxycarbonyl)amino)-3-oxohexanedioate","","CC(C)(C)OC(=O)CC(C(=O)C(CC1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C","DNWYPCITVVOAAQ-UHFFFAOYSA-N","381431",NA,"PDBC28567","668019","Present"
-"6-Tert-Butyl-4-oxo-2-phenyl-4H-chromene-8-sulfonic acid","","","","","","","","","","","","","","","","","","","","6-Tert-Butyl-4-oxo-2-phenyl-4H-chromene-8-sulfonic acid","","CC(C)(C)C1=CC2=C(C(=C1)S(=O)(=O)O)OC(=CC2=O)C3=CC=CC=C3","JKHUETDUPIETJJ-UHFFFAOYSA-N","385908",NA,"PDBC28568","677370","Present"
-"6-Tert-Butyl-7-(diethylamino)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-8-yl acetate","","","","","","","","","","","","","","","","","","","","6-Tert-Butyl-7-(diethylamino)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-8-yl acetate","","CCN(CC)C1=C(C(=O)N2C=CSC2=C1OC(=O)C)C(C)(C)C","OGJGAXCGGZEEPG-UHFFFAOYSA-N","389264",NA,"PDBC28569","685017","Present"
-"6-Tert-butyl-2-(diethylamino)-5-(2,2-dimethylpropanoyl)-1,3-oxazin-4-one","","","","","","","","","","","","","","","","","","","","6-Tert-butyl-2-(diethylamino)-5-(2,2-dimethylpropanoyl)-1,3-oxazin-4-one","","CCN(CC)C1=NC(=O)C(=C(O1)C(C)(C)C)C(=O)C(C)(C)C","ZQVWKUVDGHOZCC-UHFFFAOYSA-N","384440",NA,"PDBC28570","674221","Present"
-"6-Tert-butyl-2-[(3-tert-butyl-5-chloro-2-hydroxy-6-methylphenyl)methyl]-4-chloro-3-methylphenol","","","","","","","","","","","","","","","","","","","","4-Chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-tert-butyl-phenyl)methyl]-3-methyl-6-tert-butyl-phenol","","CC1=C(C=C(C(=C1CC2=C(C(=CC(=C2C)Cl)C(C)(C)C)O)O)C(C)(C)C)Cl","ZQGZKEMTFYZITH-UHFFFAOYSA-N","221363",NA,"PDBC28571","5857","Present"
-"6-Tert-butyl-3-(2-carboxyphenyl)-1-oxo-3-phenyl-2-benzofuran-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Tert-butyl-3-(2-carboxyphenyl)-1-oxo-3-phenyl-2-benzofuran-4-carboxylic acid","","CC(C)(C)C1=CC2=C(C(=C1)C(=O)O)C(OC2=O)(C3=CC=CC=C3)C4=CC=CC=C4C(=O)O","CPVHTLBAPQBHQF-UHFFFAOYSA-N","357632",NA,"PDBC28572","617156","Present"
-"6-Tert-butyl-3-(2-cyanophenyl)-1-oxo-3-phenyl-2-benzofuran-4-carbonitrile","","","","","","","","","","","","","","","","","","","","6-Tert-butyl-3-(2-cyanophenyl)-1-oxo-3-phenyl-2-benzofuran-4-carbonitrile","","CC(C)(C)C1=CC(=C2C(=C1)C(=O)OC2(C3=CC=CC=C3)C4=CC=CC=C4C#N)C#N","GMLZYLBFROZKDC-UHFFFAOYSA-N","357631",NA,"PDBC28573","617155","Present"
-"6-Tert-butyl-4-[(E)-(4-fluoro-3-phenoxyphenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one","","","","","","","","","","","","","","","","","","","","6-Tert-butyl-4-[(E)-(4-fluoro-3-phenoxyphenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one","","CC(C)(C)C1=NNC(=S)N(C1=O)N=CC2=CC(=C(C=C2)F)OC3=CC=CC=C3","FZTLCEBBZKPPCW-WSDLNYQXSA-N","24202929",NA,"PDBC28574","726306","Present"
-"6-Tert-butyl-4-[2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,1-bis(trifluoromethyl)spiro[2-benzofuran-3,10'-anthracene]-9'-one","","","","","","","","","","","","","","","","","","","","6-Tert-butyl-4-[2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,1-bis(trifluoromethyl)spiro[2-benzofuran-3,10'-anthracene]-9'-one","","CC(C)(C)C1=CC2=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)OCCl)C3(C4=CC=CC=C4C(=O)C5=CC=CC=C53)OC2(C(F)(F)F)C(F)(F)F","CBZRRAAINBQVKG-UHFFFAOYSA-N","358632",NA,"PDBC28575","618642","Present"
-"6-Tert-butyl-5-(3-methylbut-3-enyl)-2-oxido-5,6-dihydro-4H-oxazin-2-ium","","","","","","","","","","","","","","","","","","","","6-Tert-butyl-5-(3-methylbut-3-enyl)-2-oxido-5,6-dihydro-4H-oxazin-2-ium","","CC(=C)CCC1CC=[N+](OC1C(C)(C)C)[O-]","WSJCZVUMXFMQAW-UHFFFAOYSA-N","395298",NA,"PDBC28576","699779","Present"
-"6-Thia-2,10-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-3,9-dione","","","","","","","","","","","","","","","","","","","","6-Thia-2,10-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-3,9-dione","","C1CSCCC(=O)NC2=CC=CC=C2NC1=O","ZUPSXGSFGBALOQ-UHFFFAOYSA-N","382458",NA,"PDBC28577","670025","Present"
-"6-Thiazolylquinazoline 1","","","","","","","","","","","","","","","","","","","","GW461104A","","CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl","BNEUQUONQBLCSG-UHFFFAOYSA-N","5329475",NA,"PDBC28578","756247","Present"
-"6-Thiocyanatohexa-1,5-diynyl thiocyanate","","","","","","","","","","","","","","","","","","","","6-Thiocyanatohexa-1,5-diynyl thiocyanate","","C(CC#CSC#N)C#CSC#N","CSIXXMVWGHPMTG-UHFFFAOYSA-N","382245",NA,"PDBC28579","669700","Present"
-"6-Thioinosine","","","","","","","","","","","","","","","","","","","","ara-mp///Thioinosine","","C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O","NKGPJODWTZCHGF-UHFFFAOYSA-N","2861016",NA,"PDBC28580","406021///4911","Present"
-"6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CS4","NMFTWAYYGHNSDJ-UHFFFAOYSA-N","373177",NA,"PDBC28581","649126","Present"
-"6-Tosyl-7-phenyl-8-(tosylcarbamoyl)-2,3,6,7-tetrahydro-5H-thiazolo[3,2-c]pyrimidine-5-one","","","","","","","","","","","","","","","","","","","","6-Tosyl-7-phenyl-8-(tosylcarbamoyl)-2,3,6,7-tetrahydro-5H-thiazolo[3,2-c]pyrimidine-5-one","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C3N(CCS3)C(=O)N(C2C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C","JVYSBSAOJIJYCO-UHFFFAOYSA-N","403543",NA,"PDBC28582","718559","Present"
-"6-Vinyl-3-(8-(6-vinyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)octyl)-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole","","","","","","","","","","","","","","","","","","","","6-Ethenyl-3-[8-(6-ethenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)octyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole","","C=CC1=NC2=NN=C(N2N1)CCCCCCCCC3=NN=C4N3NC(=N4)C=C","BGBYCGKTELATRS-UHFFFAOYSA-N","394072",NA,"PDBC28583","697190","Present"
-"6-[(1,4-Dioxonaphthalen-2-yl)amino]-N-(3-phenyltellanylpropyl)hexanamide","","","","","","","","","","","","","","","","","","","","6-[(1,4-Dioxonaphthalen-2-yl)amino]-N-(3-phenyltellanylpropyl)hexanamide","","C1=CC=C(C=C1)[Te]CCCNC(=O)CCCCCNC2=CC(=O)C3=CC=CC=C3C2=O","SWOLWANYRGUGNY-UHFFFAOYSA-N","44521344",NA,"PDBC28584","748896","Present"
-"6-[(1R,2R)-1,2,3-Triacetoxypropyl]-2-methoxypteridine-4(3H)-one","","","","","","","","","","","","","","","","","","","","NSC694773///NSC694775","","CC(=O)OCC(C(C1=CN=C2C(=N1)C(=O)NC(=N2)OC)OC(=O)C)OC(=O)C","MRONITOUWVTWJP-DGCLKSJQSA-N","135489902",NA,"PDBC28585","694773///694775","Present"
-"6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-methoxypteridine-4(3H)-one","","","","","","","","","","","","","","","","","","","","NSC694772///NSC694774","","COC1=NC2=NC=C(N=C2C(=O)N1)C(C(CO)O)O","AAOZUWHSFXUIFV-IYSWYEEDSA-N","135450939",NA,"PDBC28586","694772///694774","Present"
-"6-[(2,4-Difluorophenyl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","3-(4-fluorophenyl)-6-(2,4-difluorobenzyl)thiazolo[4,5-d]...","","C1=CC(=CC=C1N2C3=C(C(=O)N(C=N3)CC4=C(C=C(C=C4)F)F)SC2=S)F","VMBVPRWCDIMMTI-UHFFFAOYSA-N","405151",NA,"PDBC28587","722188","Present"
-"6-[(2,6-Dihydroxypyrimidin-4-yl)methylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","6-[(2,6-Dihydroxypyrimidin-4-yl)methylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one","","C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SCC5=CC(=O)NC(=O)N5","HNJWTEZOJDFAKX-UHFFFAOYSA-N","391231",NA,"PDBC28588","690128","Present"
-"6-[(2-Hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-[(2-Hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione","","CN1C(=CC(=O)N(C1=O)C)NCC(CN2CCCC2)O","WFKRMRFKSKNYJY-UHFFFAOYSA-N","11694833",NA,"PDBC28589","735034","Present"
-"6-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxole-5-carbonyl)amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","6-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxole-5-carbonyl)amino]hexanoic acid","","COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)C(=O)NCCCCCC(=O)O)OCO4","RYZMBNDIZBHAEI-UHFFFAOYSA-N","16748839",NA,"PDBC28590","735206","Present"
-"6-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","6-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OCC(=NO)C4=CC=C(C=C4)F","UCYIEEBWOXKTDZ-QQTULTPQSA-N","24203680",NA,"PDBC28591","729146","Present"
-"6-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","6-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","COC1=CC=C(C=C1)C(=NO)COC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4","JIDXWDQCTGUPSK-DAFNUICNSA-N","11611054",NA,"PDBC28592","729147","Present"
-"6-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","6-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OCC(=NO)C4=CC=CC=C4","SWLRPVVJEYDRSG-GFMRDNFCSA-N","11653610",NA,"PDBC28593","729145","Present"
-"6-[(2E)-2-Hydroxyiminopropoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","6-[(2E)-2-Hydroxyiminopropoxy]-2-phenylchromen-4-one","","CC(=NO)COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3","FGHPWYWFVQUZPC-XDHOZWIPSA-N","24203679",NA,"PDBC28594","729144","Present"
-"6-[(2S)-2,3-Dihydroxypropyl]-3-methylsulfanylindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","(S)-6-(2,3-dihydroxypropyl)-3-(methylthio)-5H-indeno[1,2...","","CSC1=CC2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC(CO)O","WIDCTOWQCDKMRN-NSHDSACASA-N","122179157",NA,"PDBC28595","780897","Present"
-"6-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","6-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one","","CON=C(COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)F","WNPVKJAWZGIJBE-YYADALCUSA-N","24205364",NA,"PDBC28596","735315","Present"
-"6-[(2Z)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","6-[(2Z)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","COC1=CC=C(C=C1)C(=NOC)COC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4","XJSIWMNINPPMHK-XTCLZLMSSA-N","24205363",NA,"PDBC28597","735314","Present"
-"6-[(3,4-Dimethoxyphenyl)-[2-[[(3,4-dimethoxyphenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]amino]ethylamino]methyl]-1,3-benzodioxol-5-ol","","","","","","","","","","","","","","","","","","","","6-[(3,4-Dimethoxyphenyl)-[2-[[(3,4-dimethoxyphenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]amino]ethylamino]methyl]-1,3-benzodioxol-5-ol","","COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)NCCNC(C4=CC(=C(C=C4)OC)OC)C5=CC6=C(C=C5O)OCO6)OC","URYLRAKDSCHUMZ-UHFFFAOYSA-N","341099",NA,"PDBC28598","372585","Present"
-"6-[(3-Amino-n-propyl)amino-1-propyl]-5,3-dimetho xy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoli ne","","","","","","","","","","","","","","","","","","","","6-[(3-Amino-n-propyl)amino-1-propyl]-5,6-dihydro-2,3-dim...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCN)OC","ZHASIPINVXWTEX-UHFFFAOYSA-N","11317241",NA,"PDBC28599","724563","Present"
-"6-[(3-Diethoxybutylamino)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-[(3-Diethoxybutylamino)-1-propyl]-5,6-dihdro-2,3-dimet...","","CCOC(CCCNCCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5)OCC","QZDYWJSYXCCEMB-UHFFFAOYSA-N","45027852",NA,"PDBC28600","728092","Present"
-"6-[(3-Methoxyphenyl)iminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[(3-Methoxyphenyl)iminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","COC1=CC=CC(=C1)N=CC2=C3N(C4=CC=CC=C4O3)C(=O)C5=CC=CC=C52","WXOZQEIZTZBEEF-UHFFFAOYSA-N","24204703",NA,"PDBC28601","732507","Present"
-"6-[(3-Thiazolylamino)-1-propyl]-5,3-dimethoxy-~ 8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride","","","","","","","","","","","","","","","","","","","","6-[(3-Thiazolylamino)-1-propyl]-5,6-dihydro-2,3-dimethox...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNC6=NCCS6)OC.Cl","DZUOYYFPEQVSPK-UHFFFAOYSA-N","45027819",NA,"PDBC28602","725775","Present"
-"6-[(3-Thiomorpholyl)-1-propyl)-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-[(3-Thiomorpholyl)-1-propyl)-5,6-dihydro-2,3-dimethoxy...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCSCC6)OC","WXILFLQKTZOHLZ-UHFFFAOYSA-N","16090534",NA,"PDBC28603","727298","Present"
-"6-[(3-Trifluoroacetyl)oxy-1-propyl]-5,3-dimethox y-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinolin e","","","","","","","","","","","","","","","","","","","","6-[(3-Trifluoroacetyl)oxy-1-propyl]-5,6-dihydro-2,3-dime...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCOC(=O)C(F)(F)F)OC","VFWZKRZOYVAGPX-UHFFFAOYSA-N","11375566",NA,"PDBC28604","726972","Present"
-"6-[(3E)-4,8-Dimethylnona-3,7-dienyl]-6-methyl-3-oxabicyclo[3.1.0]hexan-4-one","","","","","","","","","","","","","","","","","","","","6-[(3E)-4,8-Dimethylnona-3,7-dienyl]-6-methyl-3-oxabicyclo[3.1.0]hexan-4-one","","CC(=CCCC(=CCCC1(C2C1C(=O)OC2)C)C)C","XYKJDLVRFKVNJG-UKTHLTGXSA-N","5468937",NA,"PDBC28605","679288","Present"
-"6-[(4-Azidophenyl)methylamino]pyrimidine-2,4-diol","","","","","","","","","","","","","","","","","","","","6-[(4-Azidophenyl)methylamino]-1H-pyrimidine-2,4-dione","","C1=CC(=CC=C1CNC2=CC(=O)NC(=O)N2)N=[N+]=[N-]","YXXTVUPYZYOKIO-UHFFFAOYSA-N","387681",NA,"PDBC28606","681707","Present"
-"6-[(4-Chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","Pyrimidine-2,4(1H,3H)-dione, 6-[(4-chlorophenyl)azo]-","","C1=CC(=CC=C1N=NC2=CC(=O)NC(=O)N2)Cl","VTVWKVYGAZNCRN-UHFFFAOYSA-N","388636",NA,"PDBC28607","683648","Present"
-"6-[(4-Chlorophenyl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-[(4-Chlorophenyl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione","","CN1C(=O)C=C(NC1=O)NCC2=CC=C(C=C2)Cl","QIYLWYWMVWSTOC-UHFFFAOYSA-N","388633",NA,"PDBC28608","683645","Present"
-"6-[(4-FMOCamino)-1-butyl]-5,3-dimethoxy-8,9-meth ylenedioxy-5,11-dioxo-11H-indeno[1,2-c-isoquinoline","","","","","","","","","","","","","","","","","","","","6-[(4-FMOCamino)-1-butyl]-5,6-dihydro-2,3-dimethoxy-8,9-...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)OC","DMEZSHDZTBJXKD-UHFFFAOYSA-N","45027837",NA,"PDBC28609","727354","Present"
-"6-[(4-Methoxyphenyl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-[(4-Methoxyphenyl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione","","CN1C(=O)C=C(NC1=O)NCC2=CC=C(C=C2)OC","UVGDRVJFOXAEJK-UHFFFAOYSA-N","388640",NA,"PDBC28610","683652","Present"
-"6-[(4-Tert-BOCamino)-1-butyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","6-[(4-tert-BOCamino)-1-butyl]-5,6-dihydro-2,3-dimethoxy-...","","CC(C)(C)OC(=O)NCCCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5","SKVQLOWNASQCDB-UHFFFAOYSA-N","45027838",NA,"PDBC28611","727355","Present"
-"6-[(5-Morpholyl-3-aminoethyl)-1-propyl]-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline","","","","","","","","","","","","","","","","","","","","6-[(5-Morpholyl-3-aminoethyl)-1-propyl]-5,6-dihydro-2,3-...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCN6CCOCC6)OC","CYHZOMLNHVKVMJ-UHFFFAOYSA-N","16090544",NA,"PDBC28612","725666","Present"
-"6-[(7-Methoxy-2-methyl-1-benzofuran-4-yl)oxy]benzo[f][1,3]benzodioxol-5-ol","","","","","","","","","","","","","","","","","","","","6-[(7-Methoxy-2-methyl-1-benzofuran-4-yl)oxy]naphtho[2,3-d][1,3]dioxol-5-ol","","CC1=CC2=C(C=CC(=C2O1)OC)OC3=C(C4=CC5=C(C=C4C=C3)OCO5)O","UUJIRNAGMIUKOM-UHFFFAOYSA-N","402342",NA,"PDBC28613","716249","Present"
-"6-[(Carboxycarbonyl)amino]-2-(carboxymethyl)-3-oxo-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide","","","","","","","","","","","","","","","","","","","","6-[(Carboxycarbonyl)amino]-2-(carboxymethyl)-3-oxo-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide","","C1=CC2=C(C=C1NC(=O)C(=O)O)S(=O)(=O)N(C2=O)CC(=O)O","ZFSYXHKBHBRPQZ-UHFFFAOYSA-N","394318",NA,"PDBC28614","697687","Present"
-"6-[(Cyclopentylamino)methyl]pyrimidine-2,4-diol","","","","","","","","","","","","","","","","","","","","6-[(Cyclopentylamino)methyl]pyrimidine-2,4-diol","","C1CCC(C1)NCC2=CC(=O)NC(=O)N2","GUQZAZIFPNMISR-UHFFFAOYSA-N","387539",NA,"PDBC28615","681449","Present"
-"6-[(E)-(4-Methoxyphenyl)methyleneamino]-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","6-[(E)-(4-Methoxyphenyl)methyleneamino]-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one","","COC1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)SC(=S)N3C4=CC=CC=C4","DPMGIKOJHXBZMW-SRZZPIQSSA-N","9571399",NA,"PDBC28616","652031","Present"
-"6-[(E)-(4-Methoxyphenyl)methyleneamino]-5-methyl-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one","","","","","","","","","","","","","","","","","","","","6-[(E)-(4-Methoxyphenyl)methyleneamino]-5-methyl-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one","","CC1=NC2=C(C(=O)N1N=CC3=CC=C(C=C3)OC)SC(=S)N2C4=CC=CC=C4","PLCJCICVMXUWLP-CIAFOILYSA-N","9571400",NA,"PDBC28617","652032","Present"
-"6-[(E)-2-(3-Methoxyphenyl)ethenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","6-[(E)-2-(3-Methoxyphenyl)ethenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one","","COC1=CC=CC(=C1)C=CC2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2","ULTRGZWWFOUMRD-ZHACJKMWSA-N","135433200",NA,"PDBC28618","744227","Present"
-"6-[(E)-3-Hydroxyprop-1-enyl]-4-methoxy-5-methylpyran-2-one","","","","","","","","","","","","","","","","","","","","6-[(E)-3-Hydroxyprop-1-enyl]-4-methoxy-5-methylpyran-2-one","","CC1=C(OC(=O)C=C1OC)C=CCO","WVTVMPKBZKCDAR-ONEGZZNKSA-N","5387142",NA,"PDBC28619","621098","Present"
-"6-[(E)-3-Phenylprop-2-enyl]sulfanyl-7H-purin-2-amine","","","","","","","","","","","","","","","","","","","","6-[(E)-3-Phenylprop-2-enyl]sulfanyl-7H-purin-2-amine","","C1=CC=C(C=C1)C=CCSC2=NC(=NC3=C2NC=N3)N","UYLRIWLPRPMLQC-QPJJXVBHSA-N","5351751",NA,"PDBC28620","36824","Present"
-"6-[(Norbornan-2-ylamino)methyl]pyrimidine-2,4-diol","","","","","","","","","","","","","","","","","","","","6-[(Norbornan-2-ylamino)methyl]pyrimidine-2,4-diol","","C1CC2CC1CC2NCC3=CC(=O)NC(=O)N3","WQYSLFVTKWFIES-UHFFFAOYSA-N","387538",NA,"PDBC28621","681448","Present"
-"6-[(Pyridin-3-ylmethyl)sulfanyl]-7H-purine","","","","","","","","","","","","","","","","","","","","NSC133594","","C1=CC(=CN=C1)CSC2=NC=NC3=C2NC=N3","YKLRWNKTMVBHDK-UHFFFAOYSA-N","3246462",NA,"PDBC28622","133594","Present"
-"6-[(Z)-(4,5-Dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[(Z)-(4,5-Dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","C1CN=C(N1)NN=CC2=C3N(C4=CC=CC=C4O3)C(=O)C5=CC=CC=C52","CWRBEYUWBTVLJE-JJFYIABZSA-N","24203690",NA,"PDBC28623","729157","Present"
-"6-[(Z)-Hydrazinylidenemethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[(Z)-Hydrazinylidenemethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","C1=CC=C2C(=C1)C(=C3N(C2=O)C4=CC=CC=C4O3)C=NN","UBFYCYWUQUHNNF-NVMNQCDNSA-N","24203689",NA,"PDBC28624","729156","Present"
-"6-[1,3-Benzodioxol-5-yl-[4-[1,3-benzodioxol-5-yl-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol","","","","","","","","","","","","","","","","","","","","6-[1,3-benzodioxol-5-yl-[4-[1,3-benzodioxol-5-yl-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol","","C1CN(CCN1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4O)OCO5)C(C6=CC7=C(C=C6)OCO7)C8=CC9=C(C=C8O)OCO9","VDOTYYGPDCAYHS-UHFFFAOYSA-N","339992",NA,"PDBC28625","369079","Present"
-"6-[1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-3-methyl-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","6-[1-(4-Chlorobenzyl)-5-oxopyrrolidin-2-yl]-3-methyl-1,3-benzoxazol-2(3H)-one","","CN1C2=C(C=C(C=C2)C3CCC(=O)N3CC4=CC=C(C=C4)Cl)OC1=O","XFWTULNZDIIKDT-UHFFFAOYSA-N","367277",NA,"PDBC28626","636827","Present"
-"6-[2,4-Bis(sulfanyl)quinazolin-6-yl]sulfanylquinazoline-2,4-dithiol","","","","","","","","","","","","","","","","","","","","6-[2,4-Bis(sulfanyl)quinazolin-6-yl]sulfanylquinazoline-2,4-dithiol","","C1=CC2=C(C=C1SC3=CC4=C(C=C3)NC(=S)NC4=S)C(=S)NC(=S)N2","RPOASIIHELSSLC-UHFFFAOYSA-N","3005395",NA,"PDBC28627","695932","Present"
-"6-[2-(1-Piperidyl)-2-thioxo-ethyl]-3H-1,3-benzothiazol-2-one","","","","","","","","","","","","","","","","","","","","6-(2-Piperidin-1-yl-2-thioxoethyl)-1,3-benzothiazol-2(3h)-one","","C1CCN(CC1)C(=S)CC2=CC3=C(C=C2)NC(=O)S3","BMHPYJQNVAIYTK-UHFFFAOYSA-N","391471",NA,"PDBC28628","690676","Present"
-"6-[2-(1-Piperidyl)acetyl]-3H-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","6-(Piperidin-1-ylacetyl)-1,3-benzoxazol-2(3h)-one","","C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)NC(=O)O3","SNLDRRAMWXXMKI-UHFFFAOYSA-N","391461",NA,"PDBC28629","690666","Present"
-"6-[2-(2-Diazopropanoyl)phenyl]hex-5-yn-2-one","","","","","","","","","","","","","","","","","","","","2-Diazonio-1-[2-(5-oxohex-1-yn-1-yl)phenyl]prop-1-en-1-olate","","CC(=O)CCC#CC1=CC=CC=C1C(=O)C(=[N+]=[N-])C","QSVSHJNUAUKTJW-UHFFFAOYSA-N","373279",NA,"PDBC28630","649431","Present"
-"6-[2-(2-Hydroxyethylamino)ethyliminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[2-(2-Hydroxyethylamino)ethyliminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","C1=CC=C2C(=C1)C(=C3N(C2=O)C4=CC=CC=C4O3)C=NCCNCCO","PNWYYAPCPSINFZ-UHFFFAOYSA-N","24203687",NA,"PDBC28631","729154","Present"
-"6-[2-(2-Naphthyl)-2-oxo-ethyl]-3-[7-[6-[2-(2-naphthyl)-2-oxo-ethyl]-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","6-(2-Naphthalen-2-yl-2-oxoethyl)-3-[7-[6-(2-naphthalen-2-yl-2-oxoethyl)-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one","","C1=CC=C2C=C(C=CC2=C1)C(=O)CC3=NC4=NN=C(N4C3=O)CCCCCCCC5=NN=C6N5C(=O)C(=N6)CC(=O)C7=CC8=CC=CC=C8C=C7","GWARWRVAGRSIFK-UHFFFAOYSA-N","362251",NA,"PDBC28632","625855","Present"
-"6-[2-(2-Phenylethynyl)phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-(2-Phenylethynyl)phenyl]hex-5-yn-1-ol","","C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CCCCCO","XISJXWAPAVOZTH-UHFFFAOYSA-N","24203326",NA,"PDBC28633","727544","Present"
-"6-[2-(2-Pyrazin-2-ylethynyl)phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-(2-Pyrazin-2-ylethynyl)phenyl]hex-5-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=NC=CN=C2","DMMWXDBPKZRBJA-UHFFFAOYSA-N","24205314",NA,"PDBC28634","735003","Present"
-"6-[2-(2-Pyridin-2-ylethynyl)phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-(2-Pyridin-2-ylethynyl)phenyl]hex-5-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CC=N2","NALHGNQERBQPBN-UHFFFAOYSA-N","24205310",NA,"PDBC28635","734998","Present"
-"6-[2-(2-Pyridin-3-ylethynyl)phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-(2-Pyridin-3-ylethynyl)phenyl]hex-5-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CN=CC=C2","YFIGGLQDEOWRSF-UHFFFAOYSA-N","24205410",NA,"PDBC28636","735439","Present"
-"6-[2-(2-Thiophen-2-ylethynyl)phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-(2-Thiophen-2-ylethynyl)phenyl]hex-5-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CS2","UHBDIEGBSKMSHL-UHFFFAOYSA-N","24205311",NA,"PDBC28637","734999","Present"
-"6-[2-(3,5-Dibromo-4-hydroxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione","","","","","","","","","","","","","","","","","","","","6-{[2-(3,5-Dibromo-4-hydroxyphenyl)ethyl]amino}-1H-benzimidazole-4,7-dione","","C1=C(C=C(C(=C1Br)O)Br)CCNC2=CC(=O)C3=C(C2=O)NC=N3","FCYQOXDAMBJJMS-UHFFFAOYSA-N","380677",NA,"PDBC28638","666377","Present"
-"6-[2-(3,5-Dibromo-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","6-{[2-(3,5-Dibromo-4-hydroxyphenyl)ethyl]amino}quinoline-5,8-dione","","C1=CC2=C(C(=O)C=C(C2=O)NCCC3=CC(=C(C(=C3)Br)O)Br)N=C1","CKCWQQNKRKNINM-UHFFFAOYSA-N","381593",NA,"PDBC28639","668393","Present"
-"6-[2-(3,5-Dichloro-4-hydroxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione","","","","","","","","","","","","","","","","","","","","6-{[2-(3,5-Dichloro-4-hydroxyphenyl)ethyl]amino}-1h-benzimidazole-4,7-dione","","C1=C(C=C(C(=C1Cl)O)Cl)CCNC2=CC(=O)C3=C(C2=O)NC=N3","UQTPOMIIMHFKQA-UHFFFAOYSA-N","384097",NA,"PDBC28640","673319","Present"
-"6-[2-(4-Benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","6-[2-(4-Benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one","","C1CN(CCN1CC2=CC=CC=C2)CC(=O)C3=CC4=C(C=C3)NC(=O)O4","PPIWMIWZXVTXOK-UHFFFAOYSA-N","391463",NA,"PDBC28641","690668","Present"
-"6-[2-(4-Hydroxy-3-methoxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione","","","","","","","","","","","","","","","","","","","","6-{[2-(4-Hydroxy-3-methoxyphenyl)ethyl]amino}-1h-benzimidazole-4,7-dione","","COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)NC=N3)O","FBNWFVACGUHNDN-UHFFFAOYSA-N","385175",NA,"PDBC28642","676179","Present"
-"6-[2-(4-Methoxyphenyl)-2-oxo-ethyl]-3-[7-[6-[2-(4-methoxyphenyl)-2-oxo-ethyl]-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one","","","","","","","","","","","","","","","","","","","","6-[2-(4-Methoxyphenyl)-2-oxoethyl]-3-[7-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one","","COC1=CC=C(C=C1)C(=O)CC2=NC3=NN=C(N3C2=O)CCCCCCCC4=NN=C5N4C(=O)C(=N5)CC(=O)C6=CC=C(C=C6)OC","HGIPWYJUTYWBPD-UHFFFAOYSA-N","362245",NA,"PDBC28643","625849","Present"
-"6-[2-(4-Phenyl-1-piperazinyl)-2-thioxoethyl]benzoxazole-2(3H)-one","","","","","","","","","","","","","","","","","","","","6-[2-(4-Phenyl-1-piperazinyl)-2-thioxoethyl]benzoxazole-2(3H)-one","","C1CN(CCN1C2=CC=CC=C2)C(=S)CC3=CC4=C(C=C3)NC(=O)O4","JEYKIGWMSHNTBA-UHFFFAOYSA-N","391458",NA,"PDBC28644","690662","Present"
-"6-[2-(4-Phenylpiperazin-1-yl)-2-thioxo-ethyl]-3H-1,3-benzothiazol-2-one","","","","","","","","","","","","","","","","","","","","6-[2-(4-Phenylpiperazin-1-yl)-2-thioxoethyl]-1,3-benzothiazol-2(3h)-one","","C1CN(CCN1C2=CC=CC=C2)C(=S)CC3=CC4=C(C=C3)NC(=O)S4","FUOCEEAFEGERRU-UHFFFAOYSA-N","391473",NA,"PDBC28645","690678","Present"
-"6-[2-(4-Phenylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","6-[2-(4-Phenylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one","","C1CN(CCN1CC(=O)C2=CC3=C(C=C2)NC(=O)O3)C4=CC=CC=C4","HQRCKGFZXWPQBR-UHFFFAOYSA-N","391455",NA,"PDBC28646","690659","Present"
-"6-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one","","","","","","","","","","","","","","","","","","","","6-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one","","C1CCCN(CC1)CCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","CJWUANWMBFRMCH-UHFFFAOYSA-N","396742",NA,"PDBC28647","703452","Present"
-"6-[2-(Dimethylamino)ethoxy]-3,9-dimethoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-(2-(dimethylamino)ethoxy)-3,9-dimethoxy-11H-indeno[1,2...","","CN(C)CCOC1=NC2=C(C=CC(=C2)OC)C3=C1C4=C(C3=O)C=C(C=C4)OC","IBZBATWQSZQCDS-UHFFFAOYSA-N","155816705",NA,"PDBC28648","781402","Present"
-"6-[2-(Dimethylamino)ethylamino]-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[2-(Dimethylamino)ethylamino]-9-methoxyindeno[1,2-c]quinolin-11-one","","CN(C)CCNC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC","MYWIUUPHQNZRLA-UHFFFAOYSA-N","24205207",NA,"PDBC28649","734625","Present"
-"6-[2-(Dimethylamino)ethylamino]indeno[2,1-c]quinolin-7-one","","","","","","","","","","","","","","","","","","","","6-{[2-(Dimethylamino)ethyl]amino}-7h-indeno[2,1-c]quinolin-7-one","","CN(C)CCNC1=NC2=CC=CC=C2C3=C1C(=O)C4=CC=CC=C43","JOSQLWOOECWACK-UHFFFAOYSA-N","402859",NA,"PDBC28650","717123","Present"
-"6-[2-(Dimethylamino)ethyliminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[2-(Dimethylamino)ethyliminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","CN(C)CCN=CC1=C2N(C3=CC=CC=C3O2)C(=O)C4=CC=CC=C41","BAWLZUYKRUVXSN-UHFFFAOYSA-N","24203685",NA,"PDBC28651","729152","Present"
-"6-[2-Amino-1-ethyl]-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride","","","","","","","","","","","","","","","","","","","","6-[2-Amino-1-ethyl]-5,6-dihydro-2,3-dimethoxy-8,9-methyl...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCN)OC.Cl","HGKJLPYOQQNYSU-UHFFFAOYSA-N","45027828",NA,"PDBC28652","726331","Present"
-"6-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethylamino]hexane-1,2,3,4,5-pentol","","","","","","","","","","","","","","","","","","","","6-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethylamino]hexane-1,2,3,4,5-pentol","","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCNCC(C(C(C(CO)O)O)O)O","VYSSNMXAQKAHJG-VFCFBJKWSA-N","135436308",NA,"PDBC28653","717862","Present"
-"6-[2-[2-(2-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-[2-(2-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CC=C2N","PDXXQBBYKBODQH-UHFFFAOYSA-N","24205403",NA,"PDBC28654","735432","Present"
-"6-[2-[2-(2-Fluorophenyl)ethynyl]phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-[2-(2-Fluorophenyl)ethynyl]phenyl]hex-5-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CC=C2F","GYVWWKYIVZFMML-UHFFFAOYSA-N","24205411",NA,"PDBC28655","735440","Present"
-"6-[2-[2-(2-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-[2-(2-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol","","COC1=CC=CC=C1C#CC2=CC=CC=C2C#CCCCCO","VMQKRCQNXSTSCB-UHFFFAOYSA-N","24205309",NA,"PDBC28656","734997","Present"
-"6-[2-[2-(2-Methylsulfanylphenyl)ethynyl]phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-[2-(2-Methylsulfanylphenyl)ethynyl]phenyl]hex-5-yn-1-ol","","CSC1=CC=CC=C1C#CC2=CC=CC=C2C#CCCCCO","LQRAQTIILMNGBL-UHFFFAOYSA-N","24205312",NA,"PDBC28657","735000","Present"
-"6-[2-[2-(3-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-[2-(3-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol","","COC1=CC=CC(=C1)C#CC2=CC=CC=C2C#CCCCCO","GVHLBCGUUZNEOB-UHFFFAOYSA-N","24205316",NA,"PDBC28658","735005","Present"
-"6-[2-[2-(4-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-[2-(4-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=C(C=C2)N","JZFQPWIECQDDFU-UHFFFAOYSA-N","24205405",NA,"PDBC28659","735434","Present"
-"6-[2-[2-(4-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-[2-(4-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol","","COC1=CC=C(C=C1)C#CC2=CC=CC=C2C#CCCCCO","SQSWXANKJZZKCA-UHFFFAOYSA-N","24205404",NA,"PDBC28660","735433","Present"
-"6-[2-[2-[2-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-[2-[2-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CC=C2C(F)(F)F","WNTFVUOLHLHQBE-UHFFFAOYSA-N","16750522",NA,"PDBC28661","735001","Present"
-"6-[2-[2-[2-[2-(5-Cyanopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexanenitrile","","","","","","","","","","","","","","","","","","","","6-[2-[2-[2-[2-(5-Cyanopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexanenitrile","","C(CCC#N)CCOCCOCCOCCOCCOCCCCCC#N","IBWHRQHSXMQIDN-UHFFFAOYSA-N","362086",NA,"PDBC28662","625609","Present"
-"6-[2-[2-[3-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-[2-[3-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC(=CC=C2)C(F)(F)F","IVFZKGFLNSPMII-UHFFFAOYSA-N","24205414",NA,"PDBC28663","735443","Present"
-"6-[2-[2-[4-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol","","","","","","","","","","","","","","","","","","","","6-[2-[2-[4-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol","","C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=C(C=C2)C(F)(F)F","PZINZNCLFVLIBB-UHFFFAOYSA-N","24205415",NA,"PDBC28664","735444","Present"
-"6-[2-[[5-[2-(5-Cyanopentoxy)ethoxymethyl]-2,2-bis[7-(3,5-ditert-butylphenyl)heptyl]-1,3-dioxolan-4-yl]methoxy]ethoxy]hexanenitrile","","","","","","","","","","","","","","","","","","","","6-(2-((5-((2-((5-Cyanopentyl)oxy)ethoxy)methyl)-2,2-bis(7-(3,5-di-tert-butylphenyl)heptyl)-1,3-dioxolan-4-yl)methoxy)ethoxy)hexanenitrile","","CC(C)(C)C1=CC(=CC(=C1)CCCCCCCC2(OC(C(O2)COCCOCCCCCC#N)COCCOCCCCCC#N)CCCCCCCC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C","QWZBHPQQLAXIGH-UHFFFAOYSA-N","362089",NA,"PDBC28665","625612","Present"
-"6-[3-((2,6-Dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c] isoquinoline","","","","","","","","","","","","","","","","","","","","6-[3-((2,2-Dimethoxyethylamino)-1-propyl)]-5,6-dihydro-2...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCC(OC)OC)OC","PEKKBCHVPPPQBM-UHFFFAOYSA-N","11363962",NA,"PDBC28666","726332","Present"
-"6-[3-(1,6-Dihyd ro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1, 2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-[3-(1,1'-Dimethyl-2-hydroxyethyl)amino-1-propyl]-5,6-d...","","CC(C)(CO)NCCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5.Cl","KSRKNWDNPRGTGK-UHFFFAOYSA-N","45027832",NA,"PDBC28667","726971","Present"
-"6-[3-(2-Amino-ethylamino)-1-propyl]-5,3-dimethox y-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinolin e hydrochloride","","","","","","","","","","","","","","","","","","","","6-[3-(2-Amino-ethylamino)-1-propyl]-5,6-dihydro-2,3-dime...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCN)OC.Cl","DKYMXCAOVXPMDJ-UHFFFAOYSA-N","45027807",NA,"PDBC28668","724057","Present"
-"6-[3-(2-Aminoethylamino)]-bis{1-propyl)-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline} dihydrochloride","","","","","","","","","","","","","","","","","","","","6-[3-(2-Aminoethylamino)]-bis{1-propyl)-5,6-dihydro-2,3-...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN(CCCN6C7=C(C8=CC(=C(C=C8C6=O)OC)OC)C(=O)C9=CC1=C(C=C97)OCO1)CCN)OC.Cl","MRCFKPHCMGUNSB-UHFFFAOYSA-N","45027842",NA,"PDBC28669","727620","Present"
-"6-[3-(2-Hydroxyethyl)-methylamino-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]iso quinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-[3-(2-Hydroxyethyl)-methylamino-1-propyl]-5,6-dihydro-...","","CN(CCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5)CCO.Cl","OHQXNKDGRCBFHA-UHFFFAOYSA-N","45027893",NA,"PDBC28670","735036","Present"
-"6-[3-(2-Hydroxyethylamino)propyl]-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-[3-(2-hydroxyethyl)amino-1-propyl]-3-nitro...","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCNCCO.Cl","IYWXVRZSIDJINY-UHFFFAOYSA-N","17755739",NA,"PDBC28671","740504","Present"
-"6-[3-(3,3-Dimethyl-6-oxo-2-piperidyl)-2-oxo-propyl]-5,5-dimethyl-piperidin-2-one","","","","","","","","","","","","","","","","","","","","6-[3-(3,3-Dimethyl-6-oxo-2-piperidyl)-2-oxo-propyl]-5,5-dimethyl-piperidin-2-one","","CC1(CCC(=O)NC1CC(=O)CC2C(CCC(=O)N2)(C)C)C","QSRWDLIAAKFUEJ-UHFFFAOYSA-N","225397",NA,"PDBC28672","14703","Present"
-"6-[3-(3-Hydroxypiperidinyl)-1-propyl]-5,3-dimeth oxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinol ine Hydrochloride","","","","","","","","","","","","","","","","","","","","6-[3-(3-Hydroxypiperidinyl)-1-propyl]-5,6-dihydro-2,3-di...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCCC(C6)O)OC.Cl","OMLXDEGLKQMBMU-UHFFFAOYSA-N","16090535",NA,"PDBC28673","728318","Present"
-"6-[3-(4,6-Diamino-1,3,5-triazin-2-yl)propyl]-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6,6'-(propane-1,3-diyl)bis(1,3,5-triazine-2,4-diamine)","","C(CC1=NC(=NC(=N1)N)N)CC2=NC(=NC(=N2)N)N","FKMPMGPMZGQACL-UHFFFAOYSA-N","265617",NA,"PDBC28674","101824","Present"
-"6-[3-(4-Aminopiperidine)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride","","","","","","","","","","","","","","","","","","","","6-[3-(4-Aminopiperidine)-1-propyl]-5,6-dihydro-2,3-dimet...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCC(CC6)N)OC.Cl","BZZQIPXPDKBZTR-UHFFFAOYSA-N","45027850",NA,"PDBC28675","728090","Present"
-"6-[3-(Aminobutylamino)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride","","","","","","","","","","","","","","","","","","","","6-[3-(Aminobutylamino)-1-propyl]-5,6-dihydro-2,3-dimetho...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCCN)OC.Cl","ATSIOJKSWLWVGN-UHFFFAOYSA-N","45027848",NA,"PDBC28676","728089","Present"
-"6-[3-(Azidomethyl)anilino]pyrimidine-2,4-diol","","","","","","","","","","","","","","","","","","","","6-[3-(Azidomethyl)anilino]pyrimidine-2,4-diol","","C1=CC(=CC(=C1)NC2=CC(=O)NC(=O)N2)CN=[N+]=[N-]","BUYOVSHDKNGGOT-UHFFFAOYSA-N","387680",NA,"PDBC28677","681706","Present"
-"6-[3-(Benzyloxy)phenyl]-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-[3-(phenylmethox...","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)OCC5=CC=CC=C5","DJGZUHVFQISGQA-UHFFFAOYSA-N","376377",NA,"PDBC28678","657279","Present"
-"6-[3-(Bis-hydroxyethylamino)-1-propyl]-5,3-~ dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride","","","","","","","","","","","","","","","","","","","","6-[3-(Bis-hydroxyethylamino)-1-propyl]-5,6-dihydro-2,3-~...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN(CCO)CCO)OC.Cl","WLYJHORQQHFUSE-UHFFFAOYSA-N","10346993",NA,"PDBC28679","725774","Present"
-"6-[3-(Dimethylamino)propoxy]-9-methylindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-(3-(dimethylamino)propoxy)-9-methyl-11H-indeno[1,2-c]q...","","CC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3OCCCN(C)C","ZOCCYZQSRUSIEA-UHFFFAOYSA-N","155815323",NA,"PDBC28680","781401","Present"
-"6-[3-(Dimethylamino)propyl]-3-piperazin-1-ylindeno[1,2-c]isoquinoline-5,11-dione","","","","","","","","","","","","","","","","","","","","6-(3-(Dimethylamino)propyl)-3-(piperazin-1-yl)-5H-indeno...","","CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)N4CCNCC4)C(=O)C5=CC=CC=C52","SOHWZANFZFYRMK-UHFFFAOYSA-N","155814995",NA,"PDBC28681","784743","Present"
-"6-[3-(Dimethylamino)propyl]-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-9-methoxy-6-(3-dimethylamino-1-propyl)-5,11-...","","CN(C)CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=C2C=CC(=C4)OC.Cl","PELUBCPNADFUQS-UHFFFAOYSA-N","17755977",NA,"PDBC28682","740647","Present"
-"6-[3-(Dimethylamino)propylamino]-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[3-(Dimethylamino)propylamino]-9-methoxyindeno[1,2-c]quinolin-11-one","","CN(C)CCCNC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC","JABMALRNMHHOAJ-UHFFFAOYSA-N","24205208",NA,"PDBC28683","734626","Present"
-"6-[3-(Methylamino)propyl]-4-thiophen-3-ylpyrrolo[3,4-c]carbazole-1,3-dione","","","","","","","","","","","","","","","","","","","","Pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, 6-[3-(methylam...","","CNCCCN1C2=CC=CC=C2C3=C1C=C(C4=C3C(=O)NC4=O)C5=CSC=C5","WTOWBVAIDHKDOZ-UHFFFAOYSA-N","378525",NA,"PDBC28684","661153","Present"
-"6-[3-(Trifluoromethoxy)phenyl]-1,3-dioxolo[4,5-g]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-[3-(trifluoromet...","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)OC(F)(F)F","IYBJZXPQNXNJSV-UHFFFAOYSA-N","376373",NA,"PDBC28685","657275","Present"
-"6-[3-[(2-Methoxyphenyl)methylamino]propyl]-13-[3-[3-(methylamino)propylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone","","","","","","","","","","","","","","","","","","","","2-(3-((2-methoxybenzyl)amino)propyl)-7-(3-((3-(methylami...","","CNCCCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC5=CC=CC=C5OC)C1=O","XIFGIYMMMUFHAH-UHFFFAOYSA-N","137648985",NA,"PDBC28686","774933","Present"
-"6-[3-[(2-Methoxyphenyl)methylamino]propyl]-13-[3-[4-[3-(methylamino)propylamino]butylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone","","","","","","","","","","","","","","","","","","","","2-(3-((2-methoxybenzyl)amino)propyl)-7-(3-((4-((3-(methy...","","CNCCCNCCCCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC5=CC=CC=C5OC)C1=O","NQOJKQUAJBSULW-UHFFFAOYSA-N","137654777",NA,"PDBC28687","774934","Present"
-"6-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propylsulfanyl]-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one","","","","","","","","","","","","","","","","","","","","6-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one","","C1CN(CCN1CCCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)Cl","COAUCWCVXCNCHR-UHFFFAOYSA-N","396745",NA,"PDBC28688","703455","Present"
-"6-[3-[4-(4-Aminobutylamino)butylamino]propyl]-13-[3-[(2-methoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone","","","","","","","","","","","","","","","","","","","","2-(3-((4-((4-aminobutyl)amino)butyl)amino)propyl)-7-(3-(...","","COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCCNCCCCN)C2=O","YNECSBWOOYUOSA-UHFFFAOYSA-N","155811433",NA,"PDBC28689","768649","Present"
-"6-[4-(1-Cyclohexenyl)-1,3-butadiyn-1-yl]-2(2H)-pyranone","","","","","","","","","","","","","","","","","","","","6-[4-(1-cyclohexenyl)-1,3-butadiyn-1-yl]-2(2H)-pyranone","","C1CCC(=CC1)C#CC#CC2=CC=CC(=O)O2","XJLKHSOVACIIDZ-UHFFFAOYSA-N","10263039",NA,"PDBC28690","726863","Present"
-"6-[4-(4-Methoxybenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one","","","","","","","","","","","","","","","","","","","","6-[4-(4-Methoxybenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one","","COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)O4","VJORCZOIIHBWBQ-UHFFFAOYSA-N","393053",NA,"PDBC28691","694337","Present"
-"6-[4-(4-Methoxyphenyl)piperazin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","6-[4-(4-Methoxyphenyl)piperazin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one","","COC1=CC=C(C=C1)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CN4","SAEBQMVIEURPQU-UHFFFAOYSA-N","393055",NA,"PDBC28692","694339","Present"
-"6-[4-(Dimethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-[4-(Dimethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","CN(C)C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C#N)N4CCC(CC4)O","YJMXCJHPFUUOHC-UHFFFAOYSA-N","60148087",NA,"PDBC28693","753600","Present"
-"6-[4-(Dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-[4-(Dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile","","CN(C)C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C#N)N4CCOCC4","FYXQRFVJGWWYJQ-UHFFFAOYSA-N","45028178",NA,"PDBC28694","741364","Present"
-"6-[4-(Methylthio)phenyl]imidazo[2,1-b]thiazole","","","","","","","","","","","","","","","","","","","","IFLab1_001965","","CSC1=CC=C(C=C1)C2=CN3C=CSC3=N2","XUPHUUXPEHAWMI-UHFFFAOYSA-N","1497314",NA,"PDBC28695","740963","Present"
-"6-[4-Aminobutyl(methyl)amino]-2,3-dihydrophthalazine-1,4-dione","","","","","","","","","","","","","","","","","","","","6-[(4-Aminobutyl)(methyl)amino]-2,3-dihydrophthalazine-1,4-dione","","CN(CCCCN)C1=CC2=C(C=C1)C(=O)NNC2=O","NVOWEQPSRQXFQE-UHFFFAOYSA-N","360281",NA,"PDBC28696","622315","Present"
-"6-[4-[(2R,3R)-3-(Hydroxymethyl)oxiranyl]-1,3-butadiynyl]-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","(+)-(2R,3R)-6-{4-[(3-hydroxymethyl)oxiran-2-yl]buta-1,3-...","","C1=CC(=O)OC(=C1)C#CC#CC2C(O2)CO","MQOZGGCYMXWCPG-GHMZBOCLSA-N","11816756",NA,"PDBC28697","730868","Present"
-"6-[4-[(2S,3S)-3-(Hydroxymethyl)oxiranyl]-1,3-butadiynyl]-2H-pyran-2-one","","","","","","","","","","","","","","","","","","","","(-)-(2S,3S)-6-{4-[(3-hydroxymethyl)oxiran-2-yl]buta-1,3-...","","C1=CC(=O)OC(=C1)C#CC#CC2C(O2)CO","MQOZGGCYMXWCPG-QWRGUYRKSA-N","11241382",NA,"PDBC28698","730867","Present"
-"6-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-4-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-[4-[(7-Chloro-4-quinolyl)amino]phenyl]-4-(4-nitrophenyl)-2-oxo-1h-pyridine-3-carbonitrile","","C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)[N+](=O)[O-])NC4=C5C=CC(=CC5=NC=C4)Cl","KFWBNUJLXYXMLU-UHFFFAOYSA-N","396044",NA,"PDBC28699","701371","Present"
-"6-[4-[(7-Chloroquinoline-4-yl)amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one","","","","","","","","","","","","","","","","","","","","6-[4-[(7-Chloroquinoline-4-yl)amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one","","COC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)C#N","JSFKXKLFFXFGSU-UHFFFAOYSA-N","396045",NA,"PDBC28700","701372","Present"
-"6-[4-[2-[2-(2-Hydroxyethylamino)ethylamino]acetyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[4-[2-[2-(2-Hydroxyethylamino)ethylamino]acetyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3N5CCN(CC5)C(=O)CNCCNCCO","IFJSUZRGRVFFID-UHFFFAOYSA-N","24205991",NA,"PDBC28701","737611","Present"
-"6-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one","","","","","","","","","","","","","","","","","","","","6-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one","","C1CN(CCN1C2=CC3=C(C=C2)NC(=O)CN3)C4=CC=CC(=C4)C(F)(F)F","YSJLCPUIDYYOJP-UHFFFAOYSA-N","393056",NA,"PDBC28702","694340","Present"
-"6-[4-[3-[2-(2-Aminoethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[4-[3-[2-(2-Aminoethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3N5CCN(CC5)C(=O)CCNCCNCCN","COBNUFINIGTBBR-UHFFFAOYSA-N","24205993",NA,"PDBC28703","737613","Present"
-"6-[4-[3-[2-(2-Hydroxyethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[4-[3-[2-(2-Hydroxyethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3N5CCN(CC5)C(=O)CCNCCNCCO","GLFCGFWFRJVPFI-UHFFFAOYSA-N","24205992",NA,"PDBC28704","737612","Present"
-"6-[4-[[7-(Trifluoromethyl)quinoline-4-yl]amino]phenyl]-3-cyano-4-(4-chlorophenyl)pyridine-2(1H)-one","","","","","","","","","","","","","","","","","","","","3-Pyridinecarbonitrile, 4-(4-chlorophenyl)- 6-[4-[[7-(tr...","","C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)Cl)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F","KZNANIOGPVFLQB-UHFFFAOYSA-N","396051",NA,"PDBC28705","701378","Present"
-"6-[4-[[7-(Trifluoromethyl)quinoline-4-yl]amino]phenyl]-3-cyano-4-(4-methoxy-1-naphthyl)pyridine-2(1H)-one","","","","","","","","","","","","","","","","","","","","4-(4-Methoxynaphthalen-1-yl)-2-oxo-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-1H-pyridine-3-carbonitrile","","COC1=CC=C(C2=CC=CC=C21)C3=C(C(=O)NC(=C3)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F)C#N","HUSMBRHIKDYFGB-UHFFFAOYSA-N","396054",NA,"PDBC28706","701381","Present"
-"6-[4-[[7-(Trifluoromethyl)quinoline-4-yl]amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one","","","","","","","","","","","","","","","","","","","","6-[4-[[7-(Trifluoromethyl)quinoline-4-yl]amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one","","COC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F)C#N","RXRFMMVIMXXEFU-UHFFFAOYSA-N","396053",NA,"PDBC28707","701380","Present"
-"6-[5-(2,4-Dichlorophenyl)furan-2-yl]-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-[5-(2,4-Dichlorophenyl)furan-2-yl]-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","CCC1=NN=C2N1N=C(S2)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl","ZSTBJIJPZXUHHZ-UHFFFAOYSA-N","402004",NA,"PDBC28708","715693","Present"
-"6-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-diphenylthieno[2,3-c]pyridazin-5-ol","","","","","","","","","","","","","","","","","","","","6-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-diphenylthieno[2,3-c]pyridazin-5-ol","","C1=CC=C(C=C1)C2=C3C(=C(SC3=NN=C2C4=CC=CC=C4)C5=NN=C(O5)C6=CC=CC=C6Cl)O","VHEFWFFDYKUBKM-UHFFFAOYSA-N","136040172",NA,"PDBC28709","753725","Present"
-"6-[5-(2-Chlorophenyl)-2-furyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","3-Methyl-6-[5-(2-chlorophenyl)furan-2-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole","","CC1=NN=C2N1N=C(S2)C3=CC=C(O3)C4=CC=CC=C4Cl","RUMXQYCWPDEYNC-UHFFFAOYSA-N","399720",NA,"PDBC28710","710766","Present"
-"6-[5-(3-Chloro-4-methoxy-phenyl)-2-furyl]pyridine-3-carboxamidine","","","","","","","","","","","","","","","","","","","","6-[5-(3-chloro-4-methoxy-phenyl)-2-furyl]pyridine-3-carb...","","COC1=C(C=C(C=C1)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N)Cl","VUKLJRLYFZSOTP-UHFFFAOYSA-N","155806136",NA,"PDBC28711","800284","Present"
-"6-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]hexyl N-[6-[6-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]hexoxycarbonylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","({6-[6-(5-ethoxycarbonylaminocarbonyl-2,4-dioxo-3,4-dihy...","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","CUULLJHDMLXEMY-UHFFFAOYSA-N","364415",NA,"PDBC28712","630668","Present"
-"6-[5-Bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-2-methoxy-4-(trifluoromethyl)pyridine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","6-[5-Bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-2-methoxy-4-(trifluoromethyl)pyridine-3-carbonitrile","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C4=NC(=C(C(=C4)C(F)(F)F)C#N)OC","KNGWNCLXUJBWKC-UHFFFAOYSA-N","403582",NA,"PDBC28713","718635","Present"
-"6-[5-[(E)-N-(Diaminomethylideneamino)-C-methylcarbonimidoyl]imidazo[2,1-b][1,3]thiazole-6-carbonyl]oxyhexyl 5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","6-[5-[(E)-N-(Diaminomethylideneamino)-C-methylcarbonimidoyl]imidazo[2,1-b][1,3]thiazole-6-carbonyl]oxyhexyl 5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]imidazo[2,1-b][1,3]thiazole-6-carbo","","CC(=NN=C(N)N)C1=C(N=C2N1C=CS2)C(=O)OCCCCCCOC(=O)C3=C(N4C=CSC4=N3)C(=NN=C(N)N)C","YSZSFCQJMRFQNE-GCFMLEDASA-N","9572253",NA,"PDBC28714","709147","Present"
-"6-[5-[(Z)-[3-Methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxo-N-phenylhexanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","6-[5-[(Z)-[3-Methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxo-N-phenylhexanamide;hydrochloride","","CC1=C(NC(=C1C(=O)CCCCC(=O)NC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC.Cl","YJYCYYCUKHKZEO-PNNXLEGYSA-N","135932478",NA,"PDBC28715","746822","Present"
-"6-[Benzyl(methyl)amino]-3-methyl-1H-pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","6-[Benzyl(methyl)amino]-3-methyl-1H-pyrimidine-2,4-dione","","CN1C(=O)C=C(NC1=O)N(C)CC2=CC=CC=C2","DVZIQRUZSZHNRF-UHFFFAOYSA-N","389518",NA,"PDBC28716","685809","Present"
-"6-[N-(2-Hydroxyethyl)anilino]-3-methyl-2H-indazole-4,7-dione","","","","","","","","","","","","","","","","","","","","6-[N-(2-Hydroxyethyl)anilino]-3-methyl-2H-indazole-4,7-dione","","CC1=C2C(=O)C=C(C(=O)C2=NN1)N(CCO)C3=CC=CC=C3","KEHHDNNSUKAQBU-UHFFFAOYSA-N","362828",NA,"PDBC28717","627198","Present"
-"6-[Piperidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol","","","","","","","","","","","","","","","","","","","","1,3-Benzodioxol-5-ol, 6-[1-piperidinyl(3,4,5-trimethoxyp...","","COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)N4CCCCC4","AOFTVDRTEGBGAK-UHFFFAOYSA-N","339887",NA,"PDBC28718","368253","Present"
-"6-[[(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-N,N-dibenzyl-3-hydroxy-2-methyloxan-4-amine oxide","","","","","","","","","","","","","","","","","","","","5,12-Naphthacenedione, 8-acetyl-10-[[3-[bis(phenylmethyl...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)[N+](CC6=CC=CC=C6)(CC7=CC=CC=C7)[O-])O","YYEDQXYOGYFXSQ-HUQCEHJHSA-N","337853",NA,"PDBC28719","357703","Present"
-"6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC676787///NSC676791","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O","XCOCMBMWEVIXCI-DLZBZKFPSA-N","385531",NA,"PDBC28720","676787///676791","Present"
-"6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)O)O)C)(C)C)O)O)O)OC9C(C(CO9)(CO)O)O)OC1C(C(C(CO1)O)O)O","KFMPGQMSTZEBPT-XXMPYFHQSA-N","385535",NA,"PDBC28721","676793","Present"
-"6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[5-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[5-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)OC1C(C(C(CO1)O)O)O)O)O","NXMUOYAGAXAIGQ-RWEYWQKRSA-N","385533",NA,"PDBC28722","676789","Present"
-"6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-carboxy-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-carboxy-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic aci","","CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C(=O)O)C","AJLARCXOASFHQQ-UNLFOZDISA-N","385537",NA,"PDBC28723","676795","Present"
-"6-[[(3S,4Ar,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC676780///NSC676782","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O","XGNILSMXQYPTTN-RYOCFWSBSA-N","385526",NA,"PDBC28724","676780///676782","Present"
-"6-[[(3S,4Ar,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC676776///NSC676778","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)OC9C(C(C(CO9)O)O)O)O)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O","AUWIBYQJUPOTCJ-IEEXDSJTSA-N","385524",NA,"PDBC28725","676776///676778","Present"
-"6-[[(3S,4Ar,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-[[(3S,4Ar,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)O)C","IUCHKMAZAWJNBJ-FTRHVITRSA-N","385528",NA,"PDBC28726","676784","Present"
-"6-[[2,5-Dichloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-[[2,5-Dichloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","CCCC1=NN=C2N1N=C(S2)COC3=CC(=C(C=C3Cl)OCC4=NN5C(=NN=C5S4)CCC)Cl","SVBLFUFJRGIZGM-UHFFFAOYSA-N","402720",NA,"PDBC28727","716908","Present"
-"6-[[2-(4-Fluorophenyl)-2-bicyclo[2.2.1]heptanyl]-methylamino]-N-[(2R,3S,4R,6S)-3-hydroxy-2-methyl-6-[[(1R,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]hexanamide","","","","","","","","","","","","","","","","","","","","4-(N-(2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-yl)- N-me...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)CCCCCN(C)C6(CC7CCC6C7)C8=CC=C(C=C8)F)O","LAPCOKUPBBCOMK-WXXOYHPGSA-N","155815098",NA,"PDBC28728","788321","Present"
-"6-[[2-(Azepan-1-yl)acetyl]amino]-N-[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide","","","","","","","","","","","","","","","","","","","","6-[[2-(Azepan-1-yl)acetyl]amino]-N-[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide","","CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)CN5CCCCCC5","DMDLOPKQFAZTDV-UHFFFAOYSA-N","45028436",NA,"PDBC28729","742850","Present"
-"6-[[2-(Benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-(tert-butoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","6-[[4-Methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[6-[[4-me","","CC(C)CC(C(=O)NCCCCC(C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)NC(=O)OCC4=CC=CC=C4","BSRMOVLYPREVOF-UHFFFAOYSA-N","16129795",NA,"PDBC28730","668447","Present"
-"6-[[2-(Benzyloxycarbonylamino)acetyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-(tert-butoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[[2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxy","","CC(C)(C)OC(=O)NC(CCCCNC(=O)CNC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)CNC(=O)OCC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)CNC(=O)OCC4=CC=CC=C4)C(=O)O","FZJBUONVOFPILV-UHFFFAOYSA-N","16129792",NA,"PDBC28731","668438","Present"
-"6-[[2-(Chloromethyl)phenyl]methylsulfanyl]-7H-purine","","","","","","","","","","","","","","","","","","","","NSC755805","","C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)CCl","GHOUCJOYMGMRSU-UHFFFAOYSA-N","155813117",NA,"PDBC28732","755805","Present"
-"6-[[2-Chloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","","","","","","","","","","","","","","","","","","","6-[[2-Chloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole","","CCCC1=NN=C2N1N=C(S2)COC3=CC(=C(C=C3)OCC4=NN5C(=NN=C5S4)CCC)Cl","VAGCDPOVHUZQAA-UHFFFAOYSA-N","402718",NA,"PDBC28733","716906","Present"
-"6-[[3-(1-Hydroxyethyl)anilino]methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","","","","","","","","","","","","","","","","","","","6-[[3-(1-Hydroxyethyl)anilino]methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one","","CC(C1=CC(=CC=C1)NCC2=C3N(C4=CC=CC=C4O3)C(=O)C5=CC=CC=C52)O","SWSHDRUMXGQHGL-UHFFFAOYSA-N","24204704",NA,"PDBC28734","732508","Present"
-"6-[[4,5-Bis[bis(benzyloxycarbonylmethyl)amino]valeryl]amino]hexanoic acid","","","","","","","","","","","","","","","","","","","","6-[[4,5-Bis[bis(benzyloxycarbonylmethyl)amino]valeryl]amino]hexanoic acid","","C1=CC=C(C=C1)COC(=O)CN(CC(CCC(=O)NCCCCCC(=O)O)N(CC(=O)OCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4","OLPSDYZAQIQFND-UHFFFAOYSA-N","387983",NA,"PDBC28735","682349","Present"
-"6-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine","","CN(C)C1=NC(=NC(=N1)OC2=NC(=NC(=N2)N(C)C)N(C)C)N(C)C","PTGMDWCNMDYJQH-UHFFFAOYSA-N","375814",NA,"PDBC28736","655976","Present"
-"6-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","6-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CSCC3=NC(=NC(=N3)N(C)C)N","ORPLGNLIZWMQMH-UHFFFAOYSA-N","389993",NA,"PDBC28737","686787","Present"
-"6-[[[4-(Dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carbonyl]amino]methylamino]pyridine-3-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","Nicotinamide, 6-[[[4-(dimethylamino)-1,4,4a,5,12,12a-hex...","","CC1=C2C=CC=C(C2=C(C3=C1CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)NCNC5=NC=C(C=C5)C(=O)N)N(C)C)O)O.Cl","YMSQUKXYLYXJSX-UHFFFAOYSA-N","54712675",NA,"PDBC28738","64440","Present"
-"6-[{5-(Pyridine-4-yl)-1,3,4-oxidazol-2-yl} dithio]-9H-purine","","","","","","","","","","","","","","","","","","","","6-[{5-(Pyridine-4-yl)-1,3,4-oxidazol-2-yl} dithio]-9H-pu...","","C1=CN=CC=C1C2=NN=C(O2)SSC3=NC=NC4=C3NC=N4","YQFKBLYOUHJPQX-UHFFFAOYSA-N","60147622",NA,"PDBC28739","751860","Present"
-"6-alpha-Fluoro-isoflupredone","","","","","","","","","","","","","","","","","","","","6.alpha.,9-difluoroprednisolone","","CC12CC(C3(C(C1CCC2(C(=O)CO)O)CC(C4=CC(=O)C=CC43C)F)F)O","ABUISBDTYAZRHY-RBKZJGKHSA-N","101859",NA,"PDBC28740","77021","Present"
-"6-aminotoyocamycin","","","","","","","","","","","","","","","","","","","","6-aminotoyocamycin","","C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)N)C#N)N","GPEPWIICLLUDAS-UHFFFAOYSA-N","300567",NA,"PDBC28741","175630","Present"
-"6-beta-D-Glucopyranosyl-4',5-dihydroxy-7-methoxyflavone","","","","","","","","","","","","","","","","","","","","Swertisin","","COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O","ABRULANJVVJLFI-UHFFFAOYSA-N","369636",NA,"PDBC28742","641547","Present"
-"6-beta-Hydroxy-Loganin","","","","","","","","","","","","","","","","","","","","loganin, 6-beta-hydroxy","","CC1C2C(C(C1O)O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC","QDEYKGKBMCIYCT-IIBPOAPYSA-N","341846",NA,"PDBC28743","375867","Present"
-"6-epi-Calyciphylline B","","","","","","","","","","","","","","","","","","","","6-epi-Calyciphylline B","","CC1C[N+]2(C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C)[O-]","PTOMOLGIAURSGE-TXXBRUBKSA-N","155816345",NA,"PDBC28744","787223","Present"
-"6-hydroxy-2-(phenylimino)benzofuran-3-(2H)-one","","","","","","","","","","","","","","","","","","","","6-hydroxy-2-(phenylimino)benzofuran-3-(2H)-one","","C1=CC=C(C=C1)N=C2C(=O)C3=C(O2)C=C(C=C3)O","LSCKEBBFWSLSEX-UHFFFAOYSA-N","380756",NA,"PDBC28745","666463","Present"
-"6-imino-3-methoxy 4-azaisoindole[2,1-a]quinoxaline","","","","","","","","","","","","","","","","","","","","6-imino-3-methoxy 4-azaisoindole[2,1-a]quinoxaline","","COC1=CC2=C(C=C1)N3C=C4C(=C3C(=N2)N)C=CC=N4","XOGCZUMKRVUFDH-UHFFFAOYSA-N","155815972",NA,"PDBC28746","754596","Present"
-"6-p-Tolyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","","","","","","","","","","","","","","","","","","","6-p-Tolyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one","","CC1=CC=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","OBBCMZTVWBVNPS-UHFFFAOYSA-N","374534",NA,"PDBC28747","652285","Present"
-"6-{3-[2-(2-Amino-ethylamino]-ethylamino]-1propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-{3-[2-(2-Amino-ethylamino]-ethylamino]-1propyl}-5,6-di...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCNCCN)OC.Cl","PUVQWEHIPHIZTQ-UHFFFAOYSA-N","45027813",NA,"PDBC28748","724996","Present"
-"6-{3-[2-(3-Amino-ethylamino)-propylamino]-1-propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c)isoquinolone Hydrochloride","","","","","","","","","","","","","","","","","","","","6-{3-[2-(3-Amino-ethylamino)-propylamino]-1-propyl}-5,6-...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCN)OC.Cl","IRKKUNNMAVRLFR-UHFFFAOYSA-N","45027809",NA,"PDBC28749","724264","Present"
-"6-{3-[2-(3-Amino-propylamino)-ethylamino]-1-propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride","","","","","","","","","","","","","","","","","","","","6-{3-[2-(3-Amino-propylamino)-ethylamino]-1-propyl}-5,6-...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCNCCCN)OC.Cl","BLYRLHUHKWDKKE-UHFFFAOYSA-N","45027808",NA,"PDBC28750","724059","Present"
-"6-{3-[2-(3-Amino-propylamino)-propylamino]-1-propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride","","","","","","","","","","","","","","","","","","","","6-{3-[2-(3-amino-propylamino)-propylamino]-1-propyl}-5,6...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCCN)OC.Cl","SUNKMHBHQDNDCX-UHFFFAOYSA-N","45027810",NA,"PDBC28751","724265","Present"
-"6-{3-[3,6-Dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-di oxo-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","6-{3-[3,3-(3-Amino-propylamino)-(propylamino)-propylamin...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCCNCCCN)OC.Cl","RCSURWDPQMTCJT-UHFFFAOYSA-N","45027814",NA,"PDBC28752","724997","Present"
-"6-{[3-(Trifluoromethyl)phenyl]sulfonyl}-2,4-quinazolinediamine","","","","","","","","","","","","","","","","","","","","2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]su...","","C1=CC(=CC(=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F","LMXPIDHKKSVTCS-UHFFFAOYSA-N","328138",NA,"PDBC28753","305784","Present"
-"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 1,2,4,7,8,10-hexamethyl-","","","","","","","","","","","","","","","","","","","","6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 1,2,4,7,8,10-hexamethyl-","","CC1=CC(=C2C(=C1C)CN3CN2CC4=C(C(=CC(=C43)C)C)C)C","RVGCVLJCTZLHLY-UHFFFAOYSA-N","361902",NA,"PDBC28754","625314","Present"
-"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,4,8,10-tetramethyl-","","","","","","","","","","","","","","","","","","","","6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,4,8,10-tetramethyl-","","CC1=CC(=C2C(=C1)CN3CN2CC4=CC(=CC(=C43)C)C)C","AZSVNAWGILSLCD-UHFFFAOYSA-N","361903",NA,"PDBC28755","625315","Present"
-"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethoxy-4,10-dimethyl-","","","","","","","","","","","","","","","","","","","","6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethoxy-4,10-dimethyl-","","CC1=CC(=CC2=C1N3CC4=C(C(=CC(=C4)OC)C)N(C2)C3)OC","JLHJRMAJUMSEBE-UHFFFAOYSA-N","361904",NA,"PDBC28756","625316","Present"
-"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine-3,9-dimethanol, 2,8-dimethyl-","","","","","","","","","","","","","","","","","","","","6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine-3,9-dimethanol, 2,8-dimethyl-","","CC1=CC2=C(C=C1CO)N3CC4=C(C=C(C(=C4)C)CO)N(C2)C3","MDFGJFPJYPULNN-UHFFFAOYSA-N","361434",NA,"PDBC28757","624458","Present"
-"6H,7H-Chromeno[4,3-b]chromen-6a(12aH)-ol","","","","","","","","","","","","","","","","","","","","6H,7H-Chromeno[4,3-b]chromen-6a(12aH)-ol","","C1C2=CC=CC=C2OC3C1(COC4=CC=CC=C34)O","BCPGBIRNVIUGFX-UHFFFAOYSA-N","387598",NA,"PDBC28758","681607","Present"
-"6H,7H-Chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","6H,7H-Chromeno[4,3-b]chromene","","C1C2=C(C3=CC=CC=C3OC2)OC4=CC=CC=C41","IGZITUXNZAHIDW-UHFFFAOYSA-N","387603",NA,"PDBC28759","681612","Present"
-"6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6,...","","CC1C(C2=CC3=C(C=C2OC1(C)O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","QSGVFQHJEFDOAR-UHFFFAOYSA-N","146610",NA,"PDBC28760","600023","Present"
-"6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6-...","","CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)O","FNMCXUGVHHIANS-UHFFFAOYSA-N","146631",NA,"PDBC28761","381578","Present"
-"6H-2,5a-Methano-1-benzoxepin-5-ol, 2-bromo-2,5,9,9a-tetrahydro-5,8,10,10-tetramethyl-","","","","","","","","","","","","","","","","","","","","8-Bromo-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodeca-3,9-dien-11-ol","","CC1=CCC23C(C1)OC(C2(C)C)(C=CC3(C)O)Br","WXHGXHLQFJCZPI-UHFFFAOYSA-N","364207",NA,"PDBC28762","629925","Present"
-"6H-2,5a-Methano-1-benzoxepin-7(8H)-one, 2,8-dibromo-2,5,9,9a-tetrahydro-5-hydroxy-5,8,10,10-tetramethyl-","","","","","","","","","","","","","","","","","","","","4,8-Dibromo-11-hydroxy-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-3-one","","CC1(C23CC(=O)C(CC2OC1(C=CC3(C)O)Br)(C)Br)C","KTTOHTLRYWHUSM-UHFFFAOYSA-N","364366",NA,"PDBC28763","630425","Present"
-"6H-3a,6-Epoxy-1H-imidazo(1,2-a)(1,4)benzodiazepine-1,2(3H)-dione, 8-chloro-3-methyl-6-phenyl-","","","","","","","","","","","","","","","","","","","","6h-3a,6-epoxy-1h-imidazo[1,2-a][1,4]benzodiazepine-1,2(3...","","CN1C(=O)C(=O)N2C13C=NC(O3)(C4=C2C=CC(=C4)Cl)C5=CC=CC=C5","ARVGAFIPEMEJTK-UHFFFAOYSA-N","326084",NA,"PDBC28764","295883","Present"
-"6H-Benzofuro(3,2-c)(1)benzopyran-8-ol, 6a,11a-dihydro-3-methoxy-9-(phenylmethoxy)-, cis-","","","","","","","","","","","","","","","","","","","","Benzofuran[3,2-c][1]benzopyran, cis-, 8-hydroxy-3- metho...","","COC1=CC2=C(C=C1)C3C(CO2)C4=CC(=C(C=C4O3)OCC5=CC=CC=C5)O","PDTQQLCWYVFMQN-WZONZLPQSA-N","373518",NA,"PDBC28765","649971","Present"
-"6H-Chromeno[4,3-b]chromen-7-one","","","","","","","","","","","","","","","","","","","","6H-Chromeno[4,3-b]chromen-7-one","","C1C2=C(C3=CC=CC=C3O1)OC4=CC=CC=C4C2=O","CGVGQDPFDJESPH-UHFFFAOYSA-N","387608",NA,"PDBC28766","681617","Present"
-"6H-DIBENZO(b,d)PYRAN-6-ONE, 2-ACETAMIDO-","","","","","","","","","","","","","","","","","","","","wln: t b666 hovj dmv1","","CC(=O)NC1=CC2=C(C=C1)OC(=O)C3=CC=CC=C32","RCYCXZHAYRTYPO-UHFFFAOYSA-N","21169",NA,"PDBC28767","67721","Present"
-"6H-Purin-6-one, 2-((3-chloro-4-fluorophenyl)amino)-1,9-dihydro-","","","","","","","","","","","","","","","","","","","","6H-Purin-6-one, 2-((3-chloro-4-fluorophenyl)amino)-1,9-dihydro-","","C1=CC(=C(C=C1NC2=NC3=C(C(=O)N2)NC=N3)Cl)F","QCVDQVZWWDKIKH-UHFFFAOYSA-N","135415736",NA,"PDBC28768","685818","Present"
-"6H-Purin-6-one, 9-hexopyranosyl-1,7,8,9-tetrahydro-8-imino-1-methyl-2-(methylthio)-","","","","","","","","","","","","","","","","","","","","8-Amino-1-methyl-2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]purin-6-one","","CN1C(=O)C2=C(N=C1SC)N(C(=N2)N)C3C(C(C(C(O3)CO)O)O)O","HEHVKLAYARFKRH-UHFFFAOYSA-N","363662",NA,"PDBC28769","628728","Present"
-"6H-Purin-6-one, 9-hexopyranosyl-1,7,8,9-tetrahydro-8-imino-2-methoxy-1-methyl-","","","","","","","","","","","","","","","","","","","","8-Imino-2-methoxy-1-methyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-7H-purin-6-one","","CN1C(=O)C2=C(N=C1OC)N(C(=N2)N)C3C(C(C(C(O3)CO)O)O)O","MGYXHYCKLVSISM-UHFFFAOYSA-N","363658",NA,"PDBC28770","628724","Present"
-"6H-Pyrazolo[3,5-kl]acridine-5-carboxamide, N,N'-[methyliminobis(3,1-propanediyl)] bis[2-[2-(dimethylamino)ethyl]-","","","","","","","","","","","","","","","","","","","","6H-Pyrazolo[3,4,5-kl]acridine-5-carboxamide, N,N'-[methy...","","CN(C)CCN1C2=C3C(=C(C=C2)C(=O)NCCCN(C)CCCNC(=O)C4=C5C6=C(C=C4)N(N=C6C7=CC=CC=C7N5)CCN(C)C)NC8=CC=CC=C8C3=N1","CSPZQMQCDUYWIE-UHFFFAOYSA-N","135426709",NA,"PDBC28771","710551","Present"
-"6H-Pyridazino[4, N-[3-(diethylamino)propyl]-9-methoxy-5-methyl-","","","","","","","","","","","","","","","","","","","","6H-Pyridazino[4,5-b]carbazol-1-amine, N-[3-(diethylamino...","","CCN(CC)CCCNC1=C2C=C3C4=C(C=CC(=C4)OC)N=C3C(=C2C=NN1)C","IEZOBFSVGSKQLY-UHFFFAOYSA-N","396092",NA,"PDBC28772","701616","Present"
-"6H-Pyrido[2,3,4-kl]acridin-6-one, 4-methoxy-","","","","","","","","","","","","","","","","","","","","6H-Pyrido[2,3,4-kl]acridin-6-one, 4-methoxy-","","COC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","FQZGXGCWOGPRLT-UHFFFAOYSA-N","391209",NA,"PDBC28773","690042","Present"
-"6H-Pyrido[4, 5,11-dimethyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Ellipticine, 6-(3-aminopropyl)-, dihydrochloride","","CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCN)C.Cl","MTHGSLOYRDMTHQ-UHFFFAOYSA-N","54598405",NA,"PDBC28774","176328","Present"
-"6H-Pyrido[4, 5,11-dimethyl-6-(2-propenyl)-","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-6-(2-propenyl)-","","CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CC=C)C","AULNNLNGJDKMOM-UHFFFAOYSA-N","289172",NA,"PDBC28775","150834","Present"
-"6H-Pyrido[4, 5,11-dimethyl-6-(oxiranylmethyl)-","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-6-(oxiranylmeth...","","CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CC5CO5)C","DNUNVFXDBUOVBS-UHFFFAOYSA-N","290108",NA,"PDBC28776","152731","Present"
-"6H-Pyrido[4, 9-hydroxy-5,6-dimethyl-N-[2-(dimethylamino)ethyl]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazole-1-carboxamide, 9-hydroxy- 5,6-...","","CC1=C2C=CN=C(C2=CC3=C1N(C4=C3C=C(C=C4)O)C)C(=O)NCCN(C)C.Cl","OJZJMRDORKFMOQ-UHFFFAOYSA-N","378011",NA,"PDBC28777","659687","Present"
-"6H-Pyrido[4, 9-methoxy-5,11-dimethyl-,dihydrochloride","","","","","","","","","","","","","","","","","","","","Ellipticine, 6-(3-aminopropyl)-9-methoxy-, dihydrochloride","","CC1=C2C=CN=CC2=C(C3=C1N(C4=C3C=C(C=C4)OC)CCCN)C.Cl","VFENHZVXEDVOAK-UHFFFAOYSA-N","54610484",NA,"PDBC28778","176327","Present"
-"6H-Pyrido[4,3-b]carbazole-1-carboxamide, 5,11-dimethyl-, monohydrochloride","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazole-1-carboxamide, 5,11-dimethyl-,...","","CC1=C2C=CN=C(C2=C(C3=C1NC4=CC=CC=C43)C)C(=O)N.Cl","KYNQVALQBVIVGA-UHFFFAOYSA-N","5351320",NA,"PDBC28779","335142","Present"
-"6H-Pyrido[4,3-b]carbazolium, 2-[2-(diethylamino)ethyl]- ...","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazolium, 2-[2-(diethylamino)ethyl]- ...","","","","",NA,"PDBC28780","620257","Present"
-"6H-Pyrido[4,3-b]carbazolium, 9-hydroxy-2,5,11-trimethyl-...","","","","","","","","","","","","","","","","","","","","6H-Pyrido[4,3-b]carbazolium, 9-hydroxy-2,5,11-trimethyl-...","","","","",NA,"PDBC28781","620256","Present"
-"6H-[1]Benzopyrano[3,7,9(8H,12H)-trione, 11-amino-","","","","","","","","","","","","","","","","","","","","6H-[1]Benzopyrano[3,4-c]azocine-6,7,9(8H,12H)-trione, 11...","","C1C(=CC(=O)NC(=O)C2=C1C3=CC=CC=C3OC2=O)N","MECZVRVAJCTKEB-VOTSOKGWSA-N","5469306",NA,"PDBC28782","685506","Present"
-"6H-[1]Benzopyrano[4,3-b]quinolin-6-one","","","","","","","","","","","","","","","","","","","","AO-362/14638077","","C1=CC=C2C(=C1)C=C3C(=N2)C4=CC=CC=C4OC3=O","BYLOQNYQAMIHJQ-UHFFFAOYSA-N","387142",NA,"PDBC28783","680581","Present"
-"6X-0262","","","","","","","","","","","","","","","","","","","","6X-0262","","CN(CC(=O)O)C1=NC=C2COC3=CC=CC=C3C2=N1","ZWNVIIHQAOVAEI-UHFFFAOYSA-N","390575",NA,"PDBC28784","688098","Present"
-"6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-amine","","","","","","","","","","","","","","","","","","","","6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-amine","","C1C2COC3=C(C2OC4=CC=CC=C41)C=C(C=C3)N","RWOCPDXDTQLDRF-UHFFFAOYSA-N","387593",NA,"PDBC28785","681602","Present"
-"6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromene","","","","","","","","","","","","","","","","","","","","6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromene","","C1C2COC3=CC=CC=C3C2OC4=CC=CC=C41","KWFJMBRKQILHMO-UHFFFAOYSA-N","387585",NA,"PDBC28786","681594","Present"
-"6a,2-c]Chromen-8-ol","","","","","","","","","","","","","","","","","","","","6a,11a-dihydro-3-methoxy-6H-benzofuro[3,2-c]chromen-8-ol","","COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C=CC(=C4)O","JEYBMRKJDYQSII-UHFFFAOYSA-N","45028038",NA,"PDBC28787","740817","Present"
-"6a-(Tetrahydro-2H-pyran-2-yloxy)-6,6a,10b,10c-tetrahydrobenzo[3,4]cyclobuta[1,2-a]biphenylen-4b(5H)-ol","","","","","","","","","","","","","","","","","","","","12-(Oxan-2-yloxy)pentacyclo[10.6.0.02,9.03,8.013,18]octadeca-3,5,7,13,15,17-hexaen-9-ol","","C1CCOC(C1)OC23CCC4(C(C2C5=CC=CC=C35)C6=CC=CC=C64)O","GTAUFWQVNOOSHQ-UHFFFAOYSA-N","375498",NA,"PDBC28788","655280","Present"
-"6a-Amino-2,5-diphenylfuro[2,3-b]furan-3,3a,4(6aH)-tricarbonitrile","","","","","","","","","","","","","","","","","","","","6a-Amino-2,5-diphenylfuro[2,3-b]furan-3,3a,4(6aH)-tricarbonitrile","","C1=CC=C(C=C1)C2=C(C3(C(=C(OC3(O2)N)C4=CC=CC=C4)C#N)C#N)C#N","NNTDJEMXJBHJCG-UHFFFAOYSA-N","363948",NA,"PDBC28789","629482","Present"
-"6a-Cyano-4-(2,2-dimethylhydrazino)-3-imino-6-methyl-1-oxohexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide","","","","","","","","","","","","","","","","","","","","1-Amino-3a-cyano-6-(2,2-dimethylhydrazinyl)-4-methyl-3-oxo-5,6-dihydro-4H-cyclopenta[c]pyrrole-6a-carboxamide","","CC1CC(C2(C1(C(=O)N=C2N)C#N)C(=O)N)NN(C)C","JFVCYCCNUKQCGQ-UHFFFAOYSA-N","387776",NA,"PDBC28790","681849","Present"
-"6a-Hydroxysalvinolone","","","","","","","","","","","","","","","","","","","","6a-hydroxysalvinolone","","CC(C)C1=C(C(=C2C(=C1)CC(=C3C2(CCCC3(C)C)C)O)O)O","BFXSCDFJDLQVRW-HXUWFJFHSA-N","403771",NA,"PDBC28791","719244","Present"
-"6a-Isobutyl-6b-methyloctahydro-5-azacyclobuta[cd]inden-6(1H)-one","","","","","","","","","","","","","","","","","","","","10-Methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one","","CC(C)CC12CC3C1(C(CC3)CNC2=O)C","CVXGDFQPURMPGD-UHFFFAOYSA-N","361484",NA,"PDBC28792","624521","Present"
-"6a-[(Z)-2-Ethoxyethenyl]-2,2-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[d][1,3]oxazole","","","","","","","","","","","","","","","","","","","","6a-[(Z)-2-Ethoxyethenyl]-2,2-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[d][1,3]oxazole","","CCOC=CC12CCCC1NC(O2)(C3=CC=CC=C3)C4=CC=CC=C4","OBIWHZGRBCATLQ-MSUUIHNZSA-N","5386992",NA,"PDBC28793","619176","Present"
-"6alpha-Methyl-21-desoxycortisol","","","","","","","","","","","","","","","","","","","","progesterone, 11.beta.,17-dihydroxy-6.alpha.-methyl-","","CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)(C(=O)C)O","VSGTWMOZGFNRPM-RSWUNGFYSA-N","243748",NA,"PDBC28794","53892","Present"
-"6alpha-Methyl-9alpha-fluoroprednisolone 21-acetate","","","","","","","","","","","","","","","","","","","","Prednisolone, 9-fluoro-6.alpha.-methyl-, acetate","","CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)COC(=O)C)O","KYVZRGYRHWSJFB-OOACPSMNSA-N","247935",NA,"PDBC28795","63549","Present"
-"6alpha-Senecioyloxychaparrinone","","","","","","","","","","","","","","","","","","","","CHAPARRINONE, 6A-SENECIOYLOXY","","CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3OC(=O)C=C(C)C)C(=CC(=O)C5O)C)C)O","JLEOCIUEZOZFST-UHFFFAOYSA-N","431194",NA,"PDBC28796","290494","Present"
-"6b,11b-Dihydroxy-11b,12-dihydrobenzo[g]indeno[1,2-b]indol-7(6bH)-one","","","","","","","","","","","","","","","","","","","","6b,11b-Dihydroxy-11b,12-dihydrobenzo[g]indeno[1,2-b]indol-7(6bH)-one","","C1=CC=C2C(=C1)C=CC3=C2NC4(C3(C(=O)C5=CC=CC=C54)O)O","JCLBXQNHIREYHX-UHFFFAOYSA-N","368009",NA,"PDBC28797","638238","Present"
-"6h-purine-6-thione, 1,7-dihydro-, mercury complex (9ci)","","","","","","","","","","","","","","","","","","","","6h-purine-6-thione, 1,7-dihydro-, mercury complex (9ci)","","","","",NA,"PDBC28798","68294","Present"
-"6h-purine-6-thione, 1,9-dihydro-, gold complex","","","","","","","","","","","","","","","","","","","","6h-purine-6-thione, 1,9-dihydro-, gold complex","","","","",NA,"PDBC28799","682441","Present"
-"6h-purine-6-thione, 2-amino-1,9-dihydro-, gold complex","","","","","","","","","","","","","","","","","","","","6h-purine-6-thione, 2-amino-1,9-dihydro-, gold complex","","","","",NA,"PDBC28800","682442","Present"
-"6lambda6,13lambda6,16lambda6-Trithia-5,7,12,14,15,17-hexazatetracyclo[6.6.3.04,15.011,17]heptadecane 6,6,13,13,16,16-hexaoxide","","","","","","","","","","","","","","","","","","","","6lambda6,13lambda6,16lambda6-Trithia-5,7,12,14,15,17-hexazatetracyclo[6.6.3.04,15.011,17]heptadecane 6,6,13,13,16,16-hexaoxide","","C1CC2NS(=O)(=O)NC3CCC4N3S(=O)(=O)N2C1NS(=O)(=O)N4","XBPOYRLUVFMFID-UHFFFAOYSA-N","331208",NA,"PDBC28801","321596","Present"
-"7'-(Benzenesulfinyl)spiro[1,3-dioxolane-2,3'-bicyclo[4.2.0]octane]-6'-ol","","","","","","","","","","","","","","","","","","","","8'-(Benzenesulfinyl)spiro[1,3-dioxolane-2,4'-bicyclo[4.2.0]octane]-1'-ol","","C1CC2(C(CC2S(=O)C3=CC=CC=C3)CC14OCCO4)O","LFDNYAPGGVCAIS-UHFFFAOYSA-N","394596",NA,"PDBC28802","698176","Present"
-"7'-Bromodemethoxy geldanoxazone","","","","","","","","","","","","","","","","","","","","NSC255105","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC3=NC4=C(C=C(C=C4)Br)OC3=C(C1)C2=O)C)OC)OC(=O)N)C)C)O)OC","GRRRVBFXHGBGOJ-DOMYYLLWSA-N","135468235",NA,"PDBC28803","255105","Present"
-"7'-Hydroxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one","","","","","","","","","","","","","","","","","","","","7'-Hydroxy-3-methylspiro[1,3-benzoxazine-2,2'-chromene]-4-one","","CN1C(=O)C2=CC=CC=C2OC13C=CC4=C(O3)C=C(C=C4)O","VBFHHNWLBLHUGG-UHFFFAOYSA-N","392256",NA,"PDBC28804","692397","Present"
-"7'-Methoxy-4'a-methylspiro[1,3-dioxolane-2,1'-2,3,4,9,10,10a-hexahydrophenanthrene]","","","","","","","","","","","","","","","","","","","","7'-Methoxy-4'a-methylspiro[1,3-dioxolane-2,1'-2,3,4,9,10,10a-hexahydrophenanthrene]","","CC12CCCC3(C1CCC4=C2C=CC(=C4)OC)OCCO3","ZSXFJUANXDEFNK-UHFFFAOYSA-N","372317",NA,"PDBC28805","647376","Present"
-"7'-Methoxy-4'a-methylspiro[1,3-dithiolane-2,2'-3,4,9,10-tetrahydrophenanthrene]","","","","","","","","","","","","","","","","","","","","7'-Methoxy-4'a-methylspiro[1,3-dithiolane-2,2'-3,4,9,10-tetrahydrophenanthrene]","","CC12CCC3(C=C1CCC4=C2C=CC(=C4)OC)SCCS3","ZVALSGVHMXNGPY-UHFFFAOYSA-N","372315",NA,"PDBC28806","647374","Present"
-"7'a-Prop-2-enylspiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindene]-2'-one","","","","","","","","","","","","","","","","","","","","7'a-Prop-2-enylspiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindene]-2'-one","","C=CCC12CC(=O)C=C1CCC3(C2)OCCO3","TYIPEOCYKAXMMG-UHFFFAOYSA-N","359514",NA,"PDBC28807","620497","Present"
-"7,10,13-Tris((4-methylphenyl)sulfonyl)-1,4-dithia-7,10,13-triazacyclopentadecane","","","","","","","","","","","","","","","","","","","","7,10,13-Tris((4-methylphenyl)sulfonyl)-1,4-dithia-7,10,13-triazacyclopentadecane","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCSCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C","LRXXANGQUDCPDG-UHFFFAOYSA-N","373832",NA,"PDBC28808","650795","Present"
-"7,10-Dihydroxy-12-(6-morpholin-4-ylpyridin-3-yl)-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione","","","","","","","","","","","","","","","","","","","","7,10-dihydroxy-12-(6-morpholinopyridin-3-yl)-12,13-dihyd...","","C1COCCN1C2=NC=C(C=C2)N3CC4=CC=CC=C4OC5=C3C(=O)C6=C(C=CC(=C6C5=O)O)O","SOIAVARDRLXKJF-UHFFFAOYSA-N","155806940",NA,"PDBC28809","791346","Present"
-"7,10-Dihydroxy-12-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione","","","","","","","","","","","","","","","","","","","","7,10-dihydroxy-12-(6-(4-methylpiperazin-1-yl)pyridin-3-y...","","CN1CCN(CC1)C2=NC=C(C=C2)N3CC4=CC=CC=C4OC5=C3C(=O)C6=C(C=CC(=C6C5=O)O)O","QTFVWAWZVNFZMJ-UHFFFAOYSA-N","155815392",NA,"PDBC28810","791349","Present"
-"7,10-Dihydroxy-12-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione","","","","","","","","","","","","","","","","","","","","7,10-dihydroxy-12-(6-((2-hydroxyethyl)(methyl)amino)pyri...","","CN(CCO)C1=NC=C(C=C1)N2CC3=CC=CC=C3OC4=C2C(=O)C5=C(C=CC(=C5C4=O)O)O","HXVVXKNTBSIBCM-UHFFFAOYSA-N","155808585",NA,"PDBC28811","791347","Present"
-"7,11-Bis(2-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","","","","","","","","","","","","","","","","","","","7,11-Bis(2-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","C1C(C2(C(CC1=O)C3=CC=CC=C3Cl)C(=O)NC(=O)NC2=O)C4=CC=CC=C4Cl","IJIHYAYVEBCUAM-UHFFFAOYSA-N","405089",NA,"PDBC28812","721970","Present"
-"7,11-Bis(2-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","","","","","","","","","","","","","","","","","","","7,11-Bis(2-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","C1C(C2(C(CC1=O)C3=CC=CC=C3Cl)C(=O)NC(=S)NC2=O)C4=CC=CC=C4Cl","FEPIIKKLJAZGOK-UHFFFAOYSA-N","5472843",NA,"PDBC28813","721971","Present"
-"7,11-Bis(2-methoxyphenyl)-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","","","","","","","","","","","","","","","","","","","7,11-Bis(2-methoxyphenyl)-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","COC1=CC=CC=C1C2CC(=O)CC(C23C(=O)NC(=S)NC3=O)C4=CC=CC=C4OC","POMVPHZAPHHHIS-UHFFFAOYSA-N","3005412",NA,"PDBC28814","698290","Present"
-"7,11-Bis(2-methylphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","","","","","","","","","","","","","","","","","","","7,11-Bis(2-methylphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","CC1=CC=CC=C1C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=CC=C4C","LIOTUXHAZLUHQQ-UHFFFAOYSA-N","394685",NA,"PDBC28815","698288","Present"
-"7,11-Bis(2-methylphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","","","","","","","","","","","","","","","","","","","7,11-Bis(2-methylphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","CC1=CC=CC=C1C2CC(=O)CC(C23C(=O)NC(=S)NC3=O)C4=CC=CC=C4C","PYARIKBZBFEXES-UHFFFAOYSA-N","5472401",NA,"PDBC28816","718390","Present"
-"7,11-Bis(3-hydroxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","","","","","","","","","","","","","","","","","","","7,11-Bis(3-hydroxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","C1C(C2(C(CC1=O)C3=CC(=CC=C3)O)C(=O)NC(=S)NC2=O)C4=CC(=CC=C4)O","DXCMBNIGJHDBHJ-UHFFFAOYSA-N","5472845",NA,"PDBC28817","721975","Present"
-"7,11-Bis(3-nitrophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","","","","","","","","","","","","","","","","","","","7,11-Bis(3-nitrophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","C1C(C2(C(CC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC(=O)NC2=O)C4=CC(=CC=C4)[N+](=O)[O-]","PVYAONFERXGVAO-UHFFFAOYSA-N","405091",NA,"PDBC28818","721972","Present"
-"7,11-Bis(3-nitrophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","","","","","","","","","","","","","","","","","","","7,11-Bis(3-nitrophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","C1C(C2(C(CC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC(=S)NC2=O)C4=CC(=CC=C4)[N+](=O)[O-]","ORAYFHLNUXYVFL-UHFFFAOYSA-N","5472844",NA,"PDBC28819","721973","Present"
-"7,11-Bis(4-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","","","","","","","","","","","","","","","","","","","7,11-Bis(4-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","C1C(C2(C(CC1=O)C3=CC=C(C=C3)Cl)C(=O)NC(=O)NC2=O)C4=CC=C(C=C4)Cl","DWHYSHPLGNQIKP-UHFFFAOYSA-N","394683",NA,"PDBC28820","698286","Present"
-"7,11-Bis(4-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","","","","","","","","","","","","","","","","","","","7,11-Bis(4-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","C1C(C2(C(CC1=O)C3=CC=C(C=C3)Cl)C(=O)NC(=S)NC2=O)C4=CC=C(C=C4)Cl","XQXNKCUGTQWTRM-UHFFFAOYSA-N","5472402",NA,"PDBC28821","718392","Present"
-"7,11-Bis(4-methoxyphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","","","","","","","","","","","","","","","","","","","7,11-Bis(4-methoxyphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","COC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)OC","PEUKXDMLRFLUFJ-UHFFFAOYSA-N","394680",NA,"PDBC28822","698283","Present"
-"7,11-Bis(4-methoxyphenyl)-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","","","","","","","","","","","","","","","","","","","7,11-Bis(4-methoxyphenyl)-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","COC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)OC","OANOGOKZZAEWTE-UHFFFAOYSA-N","3005411",NA,"PDBC28823","698289","Present"
-"7,11-Bis(4-methylphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","","","","","","","","","","","","","","","","","","","7,11-Bis(4-methylphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","CC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)C","RBIQWIHZDUHBLC-UHFFFAOYSA-N","394682",NA,"PDBC28824","698285","Present"
-"7,11-Bis(4-nitrophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","","","","","","","","","","","","","","","","","","","7,11-Bis(4-nitrophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","C1C(C2(C(CC1=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC(=S)NC2=O)C4=CC=C(C=C4)[N+](=O)[O-]","ZIJLUYIGIUHGDD-UHFFFAOYSA-N","5472846",NA,"PDBC28825","721976","Present"
-"7,11-Bis(phenylmethoxy)-3,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),4,6,8,10,12-hexaene;iodide","","","","","","","","","","","","","","","","","","","","7,11-Bis(phenylmethoxy)-3,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),4,6,8,10,12-hexaene;iodide","","C1N2C=CC=C(C2=NC3=C(C=CC=[N+]31)OCC4=CC=CC=C4)OCC5=CC=CC=C5.[I-]","PDPYNYNGKFLMKP-UHFFFAOYSA-M","356739",NA,"PDBC28826","613690","Present"
-"7,11-Bis(sulfanylidene)-4,14-bis(3,3,3-triphenylpropyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,13-dione","","","","","","","","","","","","","","","","","","","","7,11-Bis(sulfanylidene)-4,14-bis(3,3,3-triphenylpropyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,13-dione","","C1=CC=C(C=C1)C(CCN2C3=C(C=C4C(=S)NC(=O)N(C4=N3)CCC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=S)NC2=O)(C8=CC=CC=C8)C9=CC=CC=C9","JKLHFTRQNITSJV-UHFFFAOYSA-N","5127714",NA,"PDBC28827","700542","Present"
-"7,11-Bis[4-(dimethylamino)phenyl]-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","","","","","","","","","","","","","","","","","","","7,11-Bis[4-(dimethylamino)phenyl]-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","CN(C)C1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)N(C)C","JYTKQJHQBQQQLJ-UHFFFAOYSA-N","5472403",NA,"PDBC28828","718393","Present"
-"7,11-Di(2-furyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","","","","","","","","","","","","","","","","","","","7,11-Di(2-furyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone","","C1C(C2(C(CC1=O)C3=CC=CO3)C(=O)NC(=O)NC2=O)C4=CC=CO4","LTUSPZGBSKQRAC-UHFFFAOYSA-N","387530",NA,"PDBC28829","681440","Present"
-"7,11-Diphenyl-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","","","","","","","","","","","","","","","","","","","7,11-Diphenyl-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione","","C1C(C2(C(CC1=O)C3=CC=CC=C3)C(=O)NC(=S)NC2=O)C4=CC=CC=C4","FXBREMWELLLXKZ-UHFFFAOYSA-N","3005410",NA,"PDBC28830","698284","Present"
-"7,12-(Iminomethano)-7H-benzo[4',5']cyclohepta[1',2':5,6]benzo[1,2-d]-1,3-dioxole-7-carbonitrile, 14-benzoyl-6,12-dihydro-13-methoxy-","","","","","","","","","","","","","","","","","","","","20-Benzoyl-19-methoxy-4,6-dioxa-20-azapentacyclo[10.6.2.02,10.03,7.013,18]icosa-2(10),3(7),8,13,15,17-hexaene-12-carbonitrile","","COC1C2C3=CC=CC=C3C(N1C(=O)C4=CC=CC=C4)(CC5=C2C6=C(C=C5)OCO6)C#N","JYWSNCCKKCAJKK-UHFFFAOYSA-N","363303",NA,"PDBC28831","628122","Present"
-"7,12-Dihydro-13H-benzo[g]indeno[1,2-c]cinnolin-13-one","","","","","","","","","","","","","","","","","","","","7,12-Dihydro-13H-benzo[g]indeno[1,2-c]cinnolin-13-one","","C1C2=CC=CC=C2CC3=C1C4=C(C5=CC=CC=C5C4=O)N=N3","UMKPYBCKYYEFNO-UHFFFAOYSA-N","379342",NA,"PDBC28832","663888","Present"
-"7,12-Dihydro-5H-indolo[3,2-d][1]benzazepine-6-thione","","","","","","","","","","","","","","","","","","","","7,12-Dihydro-5H-indolo[3,2-d][1]benzazepine-6-thione","","C1C2=C(C3=CC=CC=C3NC1=S)NC4=CC=CC=C24","SYJYRVGOOBZSGE-UHFFFAOYSA-N","3005105",NA,"PDBC28833","672231","Present"
-"7,12-Dihydro-5H-pyrido[2',3':3,4]pyrazolo[1,2-b]phthalazin-5-one","","","","","","","","","","","","","","","","","","","","1,10,12-Triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaen-17-one","","C1C2=CC=CC=C2CN3N1C4=C(C3=O)C=CC=N4","QBLRZVRJSJMVQN-UHFFFAOYSA-N","384990",NA,"PDBC28834","675817","Present"
-"7,12-Dihydro-6H-pyrido[1,2-a","","","","","","","","","","","","","","","","","","","","3,13-Diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,14,16,18-octaene","","C1CN2C3=CC=CC=C3C=C2C4=C1C5=CC=CC=C5N4","QXRZHESFCPDBIE-UHFFFAOYSA-N","378610",NA,"PDBC28835","661250","Present"
-"7,12-Dihydropyrido[2'',3'':4',5']pyrrolo[2',3':5,6]pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","7,12-Dihydropyrido[2'',3'':4',5']pyrrolo[2',3':5,6]pyrido[3,4-b]indole","","C1=CC=C2C(=C1)C3=C4C(=NC=C3N2)C5=C(N4)C=CC=N5","YDEIVWYETHMCHS-UHFFFAOYSA-N","364147",NA,"PDBC28836","629817","Present"
-"7,12-Epidioxybenz[a]anthracene, 7,12-dihydro-7-methyl-","","","","","","","","","","","","","","","","","","","","7,12-Epidioxybenz[a]anthracene, 7,12-dihydro-7-methyl-","","CC12C3=C(C(C4=CC=CC=C41)OO2)C5=CC=CC=C5C=C3","BKPSIVHKYKDHJO-UHFFFAOYSA-N","362095",NA,"PDBC28837","625624","Present"
-"7,12-Epoxypleiadene, 1-chloro-7,12-dihydro-","","","","","","","","","","","","","","","","","","","","7,12-Epoxypleiadene, 1-chloro-7,12-dihydro-","","C1=CC=C2C3C4=C(C=CC5=C4C(=CC=C5)C(C2=C1)O3)Cl","GRZMPYDBYKGFMD-UHFFFAOYSA-N","363545",NA,"PDBC28838","628510","Present"
-"7,15,23-Trimethyl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol","","","","","","","","","","","","","","","","","","","","7,15,23-Trimethyl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol","","CC1=CC2=C(C(=C1)COCC3=CC(=CC(=C3O)COCC4=C(C(=CC(=C4)C)COC2)O)C)O","IGDXOMGCEAOPRC-UHFFFAOYSA-N","395591",NA,"PDBC28839","700321","Present"
-"7,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane-3,11-diethanol, dimethanesulfonate (ester), dihydrochloride","","","","","","","","","","","","","","","","","","","","7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane-3,...","","CS(=O)(=O)OCCN1CCC2(CC1)SC3(CCN(CC3)CCOS(=O)(=O)C)SS2.Cl","XJBGBTZCGRRTHE-UHFFFAOYSA-N","54598348",NA,"PDBC28840","166576","Present"
-"7,16-Bis((2-methoxy-1-naphthyl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","","","","","","","","","","","","","","","","","","","","7,16-Bis((2-methoxy-1-naphthyl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane","","COC1=C(C2=CC=CC=C2C=C1)CN3CCOCCOCCN(CCOCCOCC3)CC4=C(C=CC5=CC=CC=C54)OC","GBWBQAOVOFAEPQ-UHFFFAOYSA-N","374351",NA,"PDBC28841","651922","Present"
-"7,16-Dimethyl-17,18-dithia-2,5,7,8,10,13,15,16-octazatricyclo[12.2.1.16,9]octadeca-1,5,9,13-tetraene","","","","","","","","","","","","","","","","","","","","7,16-Dimethyl-17,18-dithia-2,5,7,8,10,13,15,16-octazatricyclo[12.2.1.16,9]octadeca-1,5,9,13-tetraene","","CN1C2=NCCN=C3N(NC(=NCCN=C(N1)S2)S3)C","FHFUXVGLGFPAJB-UHFFFAOYSA-N","375400",NA,"PDBC28842","655071","Present"
-"7,17-Dimethoxy-10,14-dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4(9),5,7,11,15(20),16,18-octaene;iodide","","","","","","","","","","","","","","","","","","","","7,17-Dimethoxy-10,14-dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4(9),5,7,11,15(20),16,18-octaene;iodide","","COC1=CC2=C(C=C1)N3C[N+]4=C(N=C3S2)SC5=C4C=CC(=C5)OC.[I-]","VLBFQQLDHVXCGD-UHFFFAOYSA-M","404661",NA,"PDBC28843","721084","Present"
-"7,17-Ditert-butyl-19,20-dimethoxy-3-thiatricyclo[13.3.1.15,9]icosa-1(18),5,7,9(20),15(19),16-hexaene","","","","","","","","","","","","","","","","","","","","7,17-Ditert-butyl-19,20-dimethoxy-3-thiatricyclo[13.3.1.15,9]icosa-1(18),5,7,9(20),15(19),16-hexaene","","CC(C)(C)C1=CC2=C(C(=C1)CSCC3=CC(=CC(=C3OC)CCCCC2)C(C)(C)C)OC","LQVRLBFBRSHSQZ-UHFFFAOYSA-N","380672",NA,"PDBC28844","666366","Present"
-"7,18-Trimethoxy mycalamide A","","","","","","","","","","","","","","","","","","","","7,17,18-Trimethoxy mycalamide A","","CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(COC)OC)(C)C)OC)OCO2)OC)OC)C","WHWTVBBYUVXRPA-GKILZHAESA-N","6711422",NA,"PDBC28845","626171","Present"
-"7,18-Trimethoxy, N-methyl mycalamide A","","","","","","","","","","","","","","","","","","","","7,17,18-Trimethoxy, N-methyl mycalamide A","","CC1C(OC(CC1=C)(C(C(=O)N(C)C2C3C(C(C(C(O3)CC(COC)OC)(C)C)OC)OCO2)OC)OC)C","WPGKOWYPVGVUHI-MSWOGIACSA-N","6711423",NA,"PDBC28846","626172","Present"
-"7,2',3',4'-Tetramethoxyflavone","","","","","","","","","","","","","","","","","","","","7,2',3',4'-Tetramethoxyflavone","","COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=C(C(=C(C=C3)OC)OC)OC","ZKOORGFFMZYXJI-UHFFFAOYSA-N","373144",NA,"PDBC28847","649087","Present"
-"7,2',4',5'-Tetramethoxyisoflavone","","","","","","","","","","","","","","","","","","","","LMPK12050091","","COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3OC)OC)OC","LMCHYXAZXISBOS-UHFFFAOYSA-N","165203",NA,"PDBC28848","646923","Present"
-"7,2-b:5,4-b']Diindole hydrochloride","","","","","","","","","","","","","","","","","","","","7,12-Dihydropyrido[3,2-b:5,4-b']diindole hydrochloride","","C1=CC=C2C(=C1)C3=C4C(=NC=C3N2)C5=CC=CC=C5N4.Cl","MODTUTKNLJAQTB-UHFFFAOYSA-N","360771",NA,"PDBC28849","623112","Present"
-"7,4'-Dimethoxy-5-hydroxyisoflavone","","","","","","","","","","","","","","","","","","","","O617EDC7HT","","COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC","DQNLRFRBAWCJHQ-UHFFFAOYSA-N","5386259",NA,"PDBC28850","604926","Present"
-"7,6-Dimethyl-4-oxo-4H-pyrrolo(3,2,1-ij)quinoli ne-1-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","7,8-Dihydroxy-2,6-dimethyl-4-oxo-4H-pyrrolo(3,2,1-ij)qui...","","CCOC(=O)C1=C(N2C(=O)C=C(C3=C2C1=CC(=C3O)O)C)C","NBZKPFFUDGFMEE-UHFFFAOYSA-N","24205254",NA,"PDBC28851","734757","Present"
-"7,6-Dimethyl-4-oxo-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","7,8-Diacetoxy-2,6-dimethyl-4-oxo-4H-pyrrolo[3,2,1-ij]qui...","","CCOC(=O)C1=C(N2C(=O)C=C(C3=C2C1=CC(=C3OC(=O)C)OC(=O)C)C)C","HWWPFILBVRXMNW-UHFFFAOYSA-N","45028122",NA,"PDBC28852","741202","Present"
-"7,7'-Dimethoxyperonatin B","","","","","","","","","","","","","","","","","","","","NSC692341","","CC1=C2C(=C(C=C1)OC)NC(C2=O)(C)C3(C(=O)C4=C(C=CC(=C4N3)OC)C)C","VJPYNRLFQXJJDD-SZPZYZBQSA-N","392208",NA,"PDBC28853","692341","Present"
-"7,7'-methylenebis(5-nitroquinolin-8-ol)","","","","","","","","","","","","","","","","","","","","7,7'-methylenebis(5-nitroquinolin-8-ol)","","C1=CC2=C(C=C(C(=C2N=C1)O)CC3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-])[N+](=O)[O-]","IDLYRQLIMDZRHY-UHFFFAOYSA-N","279605",NA,"PDBC28854","130796","Present"
-"7,7,11-Trimethyl-2-methylsulfanyl-10-(4-nitrophenyl)-3-phenoxy-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one","","","","","","","","","","","","","","","","","","","","7,7,11-Trimethyl-2-methylsulfanyl-10-(4-nitrophenyl)-3-phenoxy-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one","","CC1=CC2=C(N1C3=CC=C(C=C3)[N+](=O)[O-])CC(CN4C2(C(C4=O)OC5=CC=CC=C5)SC)(C)C","JOQMPQQBTPGPFD-UHFFFAOYSA-N","395703",NA,"PDBC28855","700498","Present"
-"7,7,11-Trimethyl-2-methylsulfanyl-3-phenoxy-10-phenyl-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one","","","","","","","","","","","","","","","","","","","","7,7,11-Trimethyl-2-methylsulfanyl-3-phenoxy-10-phenyl-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one","","CC1=CC2=C(N1C3=CC=CC=C3)CC(CN4C2(C(C4=O)OC5=CC=CC=C5)SC)(C)C","UWXXNCLSFKTBBZ-UHFFFAOYSA-N","395701",NA,"PDBC28856","700496","Present"
-"7,7,7-Trifluoro-6-hydroxy-2-methyl-6-(trifluoromethyl)-2-hepten-4-one oxime","","","","","","","","","","","","","","","","","","","","7,7,7-Trifluoro-6-hydroxy-2-methyl-6-(trifluoromethyl)-2-hepten-4-one oxime","","CC(=CC(=NO)CC(C(F)(F)F)(C(F)(F)F)O)C","KNKGZAQAWGWHOT-OMCISZLKSA-N","6105374",NA,"PDBC28857","664272","Present"
-"7,7,9,9-Tetramethyl-17-oxabicyclo[14.1.0]heptadecan-8-one","","","","","","","","","","","","","","","","","","","","7,7,9,9-Tetramethyl-17-oxabicyclo[14.1.0]heptadecan-8-one","","CC1(CCCCCCC2C(O2)CCCCCC(C1=O)(C)C)C","HMPXPHQKGBGQSI-UHFFFAOYSA-N","385896",NA,"PDBC28858","677297","Present"
-"7,7,9,9-Tetramethylbicyclo[14.1.0]heptadecan-8-one","","","","","","","","","","","","","","","","","","","","7,7,9,9-Tetramethylbicyclo[14.1.0]heptadecan-8-one","","CC1(CCCCCCC2CC2CCCCCC(C1=O)(C)C)C","APFUKGAGJOUSBI-UHFFFAOYSA-N","385898",NA,"PDBC28859","677299","Present"
-"7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-(4-methylphenyl)-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-(p-tolyl)-5h-pyrano[5,6-e]pyrimidine-2,4-dione","","CC1=CC=C(C=C1)C2C3=C(N(C(=O)N(C3=O)C)C)OC(C2(F)F)(N(C)C)N(C)C","XDYYLDHVGOHZLE-UHFFFAOYSA-N","395442",NA,"PDBC28860","699987","Present"
-"7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=C(C=C3)C(F)(F)F)C(=O)N(C1=O)C","IGTAANQHWGFRTO-UHFFFAOYSA-N","395440",NA,"PDBC28861","699985","Present"
-"7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-phenyl-5h-pyrano[5,6-e]pyrimidine-2,4-dione","","CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=CC=C3)C(=O)N(C1=O)C","TZITYCCTASQNQU-UHFFFAOYSA-N","395438",NA,"PDBC28862","699983","Present"
-"7,7-Bis(dimethylamino)-6,6-difluoro-5-(4-fluorophenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","7,7-Bis(dimethylamino)-6,6-difluoro-5-(4-fluorophenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=C(C=C3)F)C(=O)N(C1=O)C","CWYONDYVNJUIML-UHFFFAOYSA-N","395439",NA,"PDBC28863","699984","Present"
-"7,7-Bis(dimethylamino)-6,6-difluoro-5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","","","","","","","","","","","","","","","","","","","7,7-Bis(dimethylamino)-6,6-difluoro-5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione","","CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=C(C=C3)OC)C(=O)N(C1=O)C","GQPAQKAFLUFZDY-UHFFFAOYSA-N","395443",NA,"PDBC28864","699988","Present"
-"7,7-Dimethyl-5-oxo-4-(p-tolyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,8-dihydroquinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","7,7-Dimethyl-4-(4-methylphenyl)-5-oxo-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,8-dihydroquinoline-3-carbonitrile","","CC1=CC=C(C=C1)C2=C(C(=S)N(C3=C2C(=O)CC(C3)(C)C)C4C(C(C(C(O4)CO)O)O)O)C#N","LRPQGROTWAFGTD-UHFFFAOYSA-N","385416",NA,"PDBC28865","676596","Present"
-"7,7-Dimethyl-5-oxo-4-phenyl-2-thioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile","","","","","","","","","","","","","","","","","","","","7,7-Dimethyl-5-oxo-4-phenyl-2-thioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile","","CC1(CC2=C(C(C(C(=S)N2)C#N)C3=CC=CC=C3)C(=O)C1)C","VHILVZXCKMZRHS-UHFFFAOYSA-N","3004976",NA,"PDBC28866","666143","Present"
-"7,7-Dimethyl-7,8-dihydro-6H-3lambda(4)-(1,2,5)oxaselenazolo(4,3,2-hi)(2,1,3)benzoxaselenazole","","","","","","","","","","","","","","","","","","","","6H-[1,2,5]Oxaselenazolo[4,3,2-hi][2,1,3]benzoxaselenazol...","","CC1(CC2=NO[Se]3=C2C(=NO3)C1)C","GYXHLRQHDONJKQ-UHFFFAOYSA-N","332306",NA,"PDBC28867","328587","Present"
-"7,7-Ethano-1H-isoindol-1,3,5(2H,4H)trione HCl","","","","","","","","","","","","","","","","","","","","7,9-dimethyl-2-[2-( piperidin-1-yl)-ethyl]-4,7-ethano-1H...","","CC1CC2(CC(=O)C1C3C2C(=O)N(C3=O)CCN4CCCCC4)C.Cl","JFNSBBPWIMALGU-UHFFFAOYSA-N","24205635",NA,"PDBC28868","736302","Present"
-"7,7a,12,12a-Tetrahydro-6H-indolo[2,3-a]quinolizin-5-ium-3-ylmethanol;bromide","","","","","","","","","","","","","","","","","","","","3-(Hydroxymethyl)-7,7a,12,12a-tetrahydro-6H-indolo[2,3-a]quinolizin-5-ium bromide","","C1C[N+]2=C(C=CC(=C2)CO)C3C1C4=CC=CC=C4N3.[Br-]","DOOLMBAPOQEHCE-UHFFFAOYSA-M","372786",NA,"PDBC28869","648410","Present"
-"7,8,10,11-Tetramethoxy-4,5-dihydrodibenzo[de,g][1,3]thiazolo[5,4,3-ij]quinoline-2-thione","","","","","","","","","","","","","","","","","","","","7,8,10,11-Tetramethoxy-4,5-dihydrodibenzo[de,g][1,3]thiazolo[5,4,3-ij]quinoline-2-thione","","COC1=C(C2=C3C(=C1)CCN4C3=C(C5=CC(=C(C=C52)OC)OC)SC4=S)OC","ZKLIHPWOVLUFIH-UHFFFAOYSA-N","363055",NA,"PDBC28870","627604","Present"
-"7,8,10-Trichlorobenzo[b]quinolizin-5-ium;bromide","","","","","","","","","","","","","","","","","","","","7,8,10-Trichlorobenzo[b]quinolizin-5-ium;bromide","","C1=CC=[N+]2C=C3C(=CC2=C1)C(=CC(=C3Cl)Cl)Cl.[Br-]","QDJXSNOOTOKQOO-UHFFFAOYSA-M","24189942",NA,"PDBC28871","98850","Present"
-"7,8,8a,9-Tetrachloro-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","7,8,8A,9-TETRACHLOROTETRADECAHYDRO-7-ISOPROPYL-1.BETA.,4...","","CC(C)C1(CCC2C3(CCCC(C3CC(C2(C1Cl)Cl)Cl)(C)C(=O)O)C)Cl","CUPOGARAUNRNNM-UHFFFAOYSA-N","220359",NA,"PDBC28872","2979","Present"
-"7,8,9,10-Tetrachlorobenzo[b]thianthrene-6,11-dione","","","","","","","","","","","","","","","","","","","","Benzo[b]thianthrene-6,11-dione, 7,8,9,10-tetrachloro-","","C1=CC=C2C(=C1)SC3=C(S2)C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl","UAMWHAKPTOMSJE-UHFFFAOYSA-N","388896",NA,"PDBC28873","684126","Present"
-"7,8,9-Trimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]isoquinoline Hydrochloride","","","","","","","","","","","","","","","","","","","","7,8,9-Trimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]iso...","","COC1=C(C(=C2C(=C1)CC3=C2N=CC4=CC5=C(C=C34)OCO5)OC)OC.Cl","ASOIHPDMWAQBMW-UHFFFAOYSA-N","11303773",NA,"PDBC28874","730927","Present"
-"7,8,9-Trimethoxy-4,5-dihydro-1H-benzo[g]indazole","","","","","","","","","","","","","","","","","","","","Cl-1040","","COC1=C(C(=C2C(=C1)CCC3=C2NN=C3)OC)OC","VONKCQOBBGPOLW-UHFFFAOYSA-N","318147",NA,"PDBC28875","252841","Present"
-"7,8-Bis(4-morpholinylmethyl)-1-phenazinol","","","","","","","","","","","","","","","","","","","","7,8-Bis(4-morpholinylmethyl)-1-phenazinol","","C1COCCN1CC2=CC3=NC4=C(C(=CC=C4)O)N=C3C=C2CN5CCOCC5","KQSOGXCTXJSYEF-UHFFFAOYSA-N","135408944",NA,"PDBC28876","647138","Present"
-"7,8-Dehydrocalotropin","","","","","","","","","","","","","","","","","","","","7,8-Dehydrocalotropin","","CC1CC(C2(C(O1)OC3CC4CC=C5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O","LYTOHESBUGTAQI-XUJBKRNKSA-N","390666",NA,"PDBC28877","688285","Present"
-"7,8-Diacetoxy-4-methylcoumarin","","","","","","","","","","","","","","","","","","","","7,8-Diacetoxy-4-methylcoumarin","","CC1=CC(=O)OC2=C1C=CC(=C2OC(=O)C)OC(=O)C","BENRIKOGQFXSRY-UHFFFAOYSA-N","390798",NA,"PDBC28878","688794","Present"
-"7,8-Dichloro-1'-ethyl-9-methyl-1-oxospiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile","","","","","","","","","","","","","","","","","","","","(4'RS)-7',8'-Dichloro-1-ethyl-1',2',4',9'-tetrahydro-9'-...","","CCN1CCC2(CC1)C(C3=C(C(=O)N2)N(C4=C3C=CC(=C4Cl)Cl)C)C#N","AFDBGHRXCSHKMT-UHFFFAOYSA-N","45029455",NA,"PDBC28879","746886","Present"
-"7,8-Dichloroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","7,8-Dichloroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester","","CCOC(=O)C1=CN2C3=C(C(=C(C=C3)Cl)Cl)SC2=N1","DSHKCAIUIBAHPU-UHFFFAOYSA-N","396588",NA,"PDBC28880","703096","Present"
-"7,8-Dihydro-6H-chromeno[3,2-d]xanthene","","","","","","","","","","","","","","","","","","","","NSC782680","","C1CC2=CC3=CC=CC=C3OC24C(=CC5=CC=CC=C5O4)C1","LYEJVCFCUNTVTO-UHFFFAOYSA-N","4128935",NA,"PDBC28881","782680","Present"
-"7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol","","","","","","","","","","","","","","","","","","","","7,8-Dihydro-6-hydroxy-7-methyl-8-(3,4,5-trimethoxyphenyl...","","CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","RBDOZECECGJHSC-UHFFFAOYSA-N","146605",NA,"PDBC28882","381586","Present"
-"7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol","","","","","","","","","","","","","","","","","","","","7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol","","CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)O","DZDDYTVGTMPQDK-UHFFFAOYSA-N","146661",NA,"PDBC28883","602340","Present"
-"7,8-Dihydro-8-(4-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol","","","","","","","","","","","","","","","","","","","","7,8-Dihydro-8-(4-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol","","CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)OC)O","SKEQREZONVCYKI-UHFFFAOYSA-N","146591",NA,"PDBC28884","601098","Present"
-"7,8-Dihydroxy-6-methyl-4-oxo-2-phenyl-4H-pyrrolo[321-ij]quinoline-1-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","7,8-Dihydroxy-6-methyl-4-oxo-2-phenyl-4H-pyrrolo[321-ij]...","","CCOC(=O)C1=C(N2C(=O)C=C(C3=C2C1=CC(=C3O)O)C)C4=CC=CC=C4","SDBHBTNPCWIPJS-UHFFFAOYSA-N","45028125",NA,"PDBC28885","741205","Present"
-"7,8-Dihydroxyflavone","","","","","","","","","","","","","","","","","","","","7,8-dihydroxyflavone","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O","COCYGNDCWFKTMF-UHFFFAOYSA-N","1880",NA,"PDBC28886","750341","Present"
-"7,8-Dimethoxy-2-(4-pyridinyl)-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","7,8-Dimethoxy-2-(4-pyridinyl)-4H-chromen-4-one","","COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC=NC=C3)OC","ALQKKXUUQCNATE-UHFFFAOYSA-N","244087",NA,"PDBC28887","54646","Present"
-"7,8-Dimethoxy-3-methyl-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine","","","","","","","","","","","","","","","","","","","","7,8-Dimethoxy-3-methyl-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine","","CN1CCC2=CC(=C(C=C2C(O1)C=C)OC)OC","NVFXKVZYPUYBLQ-UHFFFAOYSA-N","383920",NA,"PDBC28888","672876","Present"
-"7,8-Dimethoxy-4-methylchromen-2-one","","","","","","","","","","","","","","","","","","","","STL463780","","CC1=CC(=O)OC2=C1C=CC(=C2OC)OC","KVRKWGMQOATVAE-UHFFFAOYSA-N","390797",NA,"PDBC28889","688793","Present"
-"7,8-Dimethyl-1-[(4-chlorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","7,8-Dimethyl-1-[(4-chlorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=C4CCCC4=C(C3=N2)C#N)NC5=CC=C(C=C5)Cl","CFVCNNCUDANEGC-UHFFFAOYSA-N","395407",NA,"PDBC28890","699943","Present"
-"7,8-Dimethyl-1-[(4-chlorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","7,8-Dimethyl-1-[(4-chlorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)NC5=CC=C(C=C5)Cl","FMROIAUBQROLMQ-UHFFFAOYSA-N","395413",NA,"PDBC28891","699949","Present"
-"7,8-Dimethyl-1-[(4-fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","7,8-Dimethyl-1-[(4-fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=C4CCCC4=C(C3=N2)C#N)NC5=CC=C(C=C5)F","ZJLCCZCCHGTMKS-UHFFFAOYSA-N","397345",NA,"PDBC28892","704955","Present"
-"7,8-Dimethyl-1-[(4-fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","7,8-Dimethyl-1-[(4-fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)NC5=CC=C(C=C5)F","DSLRJCZNJKKBEK-UHFFFAOYSA-N","395409",NA,"PDBC28893","699945","Present"
-"7,8-Dimethyl-1-[2-(4-methylphenyl)sulfanylphenyl]-4-phenyl-10-oxa-4,8-diazatricyclo[5.2.1.02,6]decane-3,5,9-trione","","","","","","","","","","","","","","","","","","","","7,8-Dimethyl-1-[2-(4-methylphenyl)sulfanylphenyl]-4-phenyl-10-oxa-4,8-diazatricyclo[5.2.1.02,6]decane-3,5,9-trione","","CC1=CC=C(C=C1)SC2=CC=CC=C2C34C5C(C(=O)N(C5=O)C6=CC=CC=C6)C(O3)(N(C4=O)C)C","YTMYXIYWLLLPAD-UHFFFAOYSA-N","397448",NA,"PDBC28894","705306","Present"
-"7,8-Dimethyl-1-[[3-(trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","7,8-Dimethyl-1-[[3-(trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)NC5=CC=CC(=C5)C(F)(F)F","XIGSFIUKPMKUMH-UHFFFAOYSA-N","395411",NA,"PDBC28895","699947","Present"
-"7,8-Dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)phenyl]diazenyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","7,8-Dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)phenyl]diazenyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=O)N=NC4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5)C#N)N2","QQASDVVPWXMREH-UHFFFAOYSA-N","395423",NA,"PDBC28896","699959","Present"
-"7,8-Dimethyl-1H-pyrimido[4,5-b]quinoline-2,4-dione","","","","","","","","","","","","","","","","","","","","7,8-Dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione","","CC1=CC2=CC3=C(NC(=O)NC3=O)N=C2C=C1C","FSOQDJAHSRUDCZ-UHFFFAOYSA-N","5351954",NA,"PDBC28897","109174","Present"
-"7,8-Dimethyl-2,5-dioxo-3,4-dihydro-1H-1-benzazepine-9-carbonitrile","","","","","","","","","","","","","","","","","","","","7,8-Dimethyl-2,5-dioxo-3,4-dihydro-1H-1-benzazepine-9-carbonitrile","","CC1=CC2=C(C(=C1C)C#N)NC(=O)CCC2=O","XLABEKGAUKJTCL-UHFFFAOYSA-N","360071",NA,"PDBC28898","621869","Present"
-"7,8-Dimethyl-2-(morpholin-4-ylmethyl)-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile","","","","","","","","","","","","","","","","","","","","7,8-Dimethyl-2-(morpholinomethyl)-1-oxo-3-phenyl-5h-pyrido[2,1-b]benzimidazole-4-carbonitrile","","CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=O)CN4CCOCC4)C5=CC=CC=C5)C#N)N2","HPSQSUDOIUFXAJ-UHFFFAOYSA-N","395425",NA,"PDBC28899","699961","Present"
-"7,8-Dimethyl-3-phenyl-3,4-dihydro-9H-thieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-9-one","","","","","","","","","","","","","","","","","","","","4,5-Dimethyl-11-phenyl-6-thia-1,8,11,13-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one","","CC1=C(SC2=C1C(=O)N3C(=N2)CN(C=N3)C4=CC=CC=C4)C","JBNYYPVEBMJGHB-UHFFFAOYSA-N","390744",NA,"PDBC28900","688503","Present"
-"7,8-Dimethyl-5,10-dihydrobenzo[g]quinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","7,8-Dimethylbenzo[g]quinoline-5,10-dione","","CC1=CC2=C(C=C1C)C(=O)C3=C(C2=O)C=CC=N3","JNVRQZLSSYDUTG-UHFFFAOYSA-N","386101",NA,"PDBC28901","677733","Present"
-"7,8-Dimethyl-6-oxo-2,4,10-triphenyl-3,4,9,10-tetrahydropyrido[3',4':3,4]pyrrolo[1,2-a][1,3,5]triazine-6a,10a(2H,6H)-dicarbonitrile","","","","","","","","","","","","","","","","","","","","10,11-Dimethyl-8-oxo-4,6,13-triphenyl-3,5,7,12-tetrazatricyclo[7.4.0.02,7]trideca-2,10-diene-1,9-dicarbonitrile","","CC1=C(NC(C2(C1(C(=O)N3C2=NC(NC3C4=CC=CC=C4)C5=CC=CC=C5)C#N)C#N)C6=CC=CC=C6)C","COHWZLUGAVGLBT-UHFFFAOYSA-N","394330",NA,"PDBC28902","697699","Present"
-"7,8-Diphenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one","","","","","","","","","","","","","","","","","","","","7,8-Diphenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one","","C1CC2CC3(N(C(=O)C2(C1)S3)C4=CC=CC=C4)C5=CC=CC=C5","HZNSFJWOZITKMB-UHFFFAOYSA-N","397460",NA,"PDBC28903","705318","Present"
-"7,8lambda4,9-Trithiatetracyclo[6.6.0.02,6.010,14]tetradeca-1(8),2(6),10(14)-triene","","","","","","","","","","","","","","","","","","","","7,8lambda4,9-Trithiatetracyclo[6.6.0.02,6.010,14]tetradeca-1(8),2(6),10(14)-triene","","C1CC2=C(C1)SS3=C2C4=C(S3)CCC4","LKNCGWPXBFKOHK-UHFFFAOYSA-N","363030",NA,"PDBC28904","627574","Present"
-"7,9-Bis(2-chlorophenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one","","","","","","","","","","","","","","","","","","","","7,9-Bis(2-chlorophenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one","","C=C1CC2(CC(OC(C2)C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)OC1=O","ZWQMKUQWBAAFDT-UHFFFAOYSA-N","357606",NA,"PDBC28905","617129","Present"
-"7,9-Bis(2-methoxyphenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one","","","","","","","","","","","","","","","","","","","","7,9-Bis(2-methoxyphenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one","","COC1=CC=CC=C1C2CC3(CC(O2)C4=CC=CC=C4OC)CC(=C)C(=O)O3","ONBOURZBYMXYJY-UHFFFAOYSA-N","357607",NA,"PDBC28906","617130","Present"
-"7,9-Dichloro-2,3-dimethyl-6H-indolo[2,3-b]quinoxaline","","","","","","","","","","","","","","","","","","","","7,9-Dichloro-2,3-dimethyl-6H-indolo[2,3-b]quinoxaline","","CC1=CC2=C(C=C1C)N=C3C(=N2)C4=C(N3)C(=CC(=C4)Cl)Cl","DWGCKULOBLPGAX-UHFFFAOYSA-N","5351951",NA,"PDBC28907","108098","Present"
-"7-((10-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)decyl)oxy)-2-phenyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","7-((10-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)decyl)oxy)-2-phenyl-4H-chromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCCCCCCCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6","NYBFKDXVDBPZKU-UHFFFAOYSA-N","373054",NA,"PDBC28908","648886","Present"
-"7-((2-(3,5-Dibromo-4-hydroxyphenyl)ethyl)amino)-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","5,8-Quinolinedione, 7-[[2-(3,5-dibromo-4-hydroxyphenyl)e...","","C1=CC2=C(C(=O)C(=CC2=O)NCCC3=CC(=C(C(=C3)Br)O)Br)N=C1","OHPHDPYJEHZGDE-UHFFFAOYSA-N","381594",NA,"PDBC28909","668394","Present"
-"7-((4,9-Dioxo-2,7-decadienoyl)oxy)-4,9-dioxo-2-decenoic acid","","","","","","","","","","","","","","","","","","","","7-((4,9-Dioxo-2,7-decadienoyl)oxy)-4,9-dioxo-2-decenoic acid","","CC(=O)CC(CCC(=O)C=CC(=O)O)OC(=O)C=CC(=O)CCC=CC(=O)C","BXDWMBHVQJFBPQ-ZEGDIPTBSA-N","5459240",NA,"PDBC28910","657323","Present"
-"7-((4-((1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl)-1-piperazinyl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","7-[[4-[(1,3-Dimethyl-2,6-dioxopurin-7-yl)methyl]piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3CCN(CC3)CN4C=NC5=C4C(=O)N(C(=O)N5C)C","QWNZKLOXUCIPHH-UHFFFAOYSA-N","270751",NA,"PDBC28911","113491","Present"
-"7-((4-Hydroxy-2-quinazolinyl)methoxy)-4-methyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","7-((4-Hydroxy-2-quinazolinyl)methoxy)-4-methyl-2H-chromen-2-one","","CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NC4=CC=CC=C4C(=O)N3","GEGWXPGUMGKWBS-UHFFFAOYSA-N","135499191",NA,"PDBC28912","643011","Present"
-"7-(1,1-Dimethyl-2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-2-phenyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","7-(1,1-Dimethyl-2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-2-phenyl-4H-chromen-4-one","","CC(C)(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5","BMDABUHQUQQFFC-UHFFFAOYSA-N","378557",NA,"PDBC28913","661195","Present"
-"7-(1,4-Dimethoxy-3-methyl-2-naphthyl)-5-methyl-5-hepten-1-ol","","","","","","","","","","","","","","","","","","","","7-(1,4-Dimethoxy-3-methyl-2-naphthyl)-5-methyl-5-hepten-1-ol","","CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCCCO)OC)OC","URWWGLPWDXOMQN-NTCAYCPXSA-N","5469370",NA,"PDBC28914","687143","Present"
-"7-(1-Aziridinyl)-8-methyl-6,9-dioxo-1,2,3,4,6,9-hexahydropyrido[1,2-a]benzimidazol-4-yl acetate","","","","","","","","","","","","","","","","","","","","7-(1-Aziridinyl)-8-methyl-6,9-dioxo-1,2,3,4,6,9-hexahydropyrido[1,2-a]benzimidazol-4-yl acetate","","CC1=C(C(=O)C2=C(C1=O)N3CCCC(C3=N2)OC(=O)C)N4CC4","DQBAFHSEZZMUNI-UHFFFAOYSA-N","374012",NA,"PDBC28915","651086","Present"
-"7-(1H-Pyrrol-2-yl)-1,8-naphthyridin-2-amine","","","","","","","","","","","","","","","","","","","","7-(1H-Pyrrol-2-yl)-1,8-naphthyridin-2-amine","","C1=CNC(=C1)C2=NC3=C(C=C2)C=CC(=N3)N","YRLSTYKGZVRJEF-UHFFFAOYSA-N","395724",NA,"PDBC28916","700523","Present"
-"7-(2,2-Diphenylethyl)-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","7-(2,2-Diphenylethyl)-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","CC1=C(N(C2=C1S(=O)(=O)C(=NN2)C#N)CC(C3=CC=CC=C3)C4=CC=CC=C4)C","KSJZERVPOGCQDG-UHFFFAOYSA-N","392825",NA,"PDBC28917","693802","Present"
-"7-(2,3-Dihydroxypropyl)guanine","","","","","","","","","","","","","","","","","","","","7-(2,3-Dihydroxypropyl)guanine","","C1=NC2=C(N1CC(CO)O)C(=O)NC(=N2)N","CITNURIPFANLSS-UHFFFAOYSA-N","135465365",NA,"PDBC28918","637510","Present"
-"7-(2,4-Dinitrophenyl)-3,8-dioxido-triazolo[4,5-g][2,1,3]benzoxadiazole-3,8-diium","","","","","","","","","","","","","","","","","","","","7-(2,4-Dinitrophenyl)-3,8-dioxido-triazolo[4,5-g][2,1,3]benzoxadiazole-3,8-diium","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2N=C3C=CC4=[N+](ON=C4C3=[N+]2[O-])[O-]","SSTNXBWNABSLGO-UHFFFAOYSA-N","382097",NA,"PDBC28919","669456","Present"
-"7-(2,5-Dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(2,5-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]i...","","COC1=CC(=C(C=C1)OC)CN2C=C3CCC4=C(C3=C2)ON=C4","ASYPZPBZUPOZOB-UHFFFAOYSA-N","60148286",NA,"PDBC28920","754092","Present"
-"7-(2,5-Dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(2,5-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazol...","","COC1=CC(=C(C=C1)OC)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5","WXRBOCFUPLGSFH-UHFFFAOYSA-N","60148270",NA,"PDBC28921","754076","Present"
-"7-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine","","","","","","","","","","","","","","","","","","","","7-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine","","COC1=CC(=C(C=C1)OC)C2CCCC3=C4C(=NC(=NC4=NC=C23)N)N","MAKJOOFFSYGGBL-UHFFFAOYSA-N","402877",NA,"PDBC28922","717167","Present"
-"7-(2-((10-((2-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)ethyl)thio)decyl)thio)ethoxy)-2-phenyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","7-[2-[10-[2-(4-Oxo-2-phenylchromen-7-yl)oxyethylsulfanyl]decylsulfanyl]ethoxy]-2-phenylchromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCSCCCCCCCCCCSCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6","KNEBKOMXCMYZEB-UHFFFAOYSA-N","373049",NA,"PDBC28923","648882","Present"
-"7-(2-(3-Furyl)-2-hydroxyethyl)-4-hydroxy-7,8-dimethyloctahydronaphtho[1,8a-c]furan-3(3aH)-one","","","","","","","","","","","","","","","","","","","","7-(2-(3-Furyl)-2-hydroxyethyl)-4-hydroxy-7,8-dimethyloctahydronaphtho[1,8a-c]furan-3(3aH)-one","","CC1CCC23COC(=O)C2C(CCC3C1(C)CC(C4=COC=C4)O)O","CDQQKEUOFSHHNN-UHFFFAOYSA-N","368922",NA,"PDBC28924","640327","Present"
-"7-(2-(Ethylsulfonyl)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","7-(2-(Ethylsulfonyl)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione","","CCS(=O)(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C","PPHIYXOWYYVOQF-UHFFFAOYSA-N","387314",NA,"PDBC28925","681027","Present"
-"7-(2-Acetoxy-3-1'-piperidinylpropoxy)-1,4-benzotriazin-3-amine 1,4-dioxide . Trifluoroacetate","","","","","","","","","","","","","","","","","","","","7-(2-Acetoxy-3-1'-piperidinylpropoxy)-1,2,4-benzotriazin...","","CC(=O)OC(CN1CCCCC1)COC2=CC3=C(C=C2)[N+](=C(N=[N+]3[O-])N)[O-].C(=O)(C(F)(F)F)O","MJTZURXNMATMJH-UHFFFAOYSA-N","135510094",NA,"PDBC28926","628919","Present"
-"7-(2-Chlorophenyl)-1,4,8,9-tetrakis(methoxycar bonyl)-bicyclo[3.3.1]non-3-ene","","","","","","","","","","","","","","","","","","","","7-(2-Chlorophenyl)-1,3-dihydroxy-2,4,8,9-tetrakis(methox...","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=CC=C3Cl","VHUBCEBGZQLEPJ-KKKPJCFQSA-N","54706360",NA,"PDBC28927","733343","Present"
-"7-(2-Cyclopropylethyl)-3,4-dihydroxy-2,2-dimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","","","","","","","","","","","","","","","","","","","7-(2-Cyclopropylethyl)-3,4-dihydroxy-2,2-dimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","CC1(C(C2C(C(=C)C3(CC3)C(=C2C1=O)CCC4CC4)O)O)C","MYSUPTCWXGKTMX-UHFFFAOYSA-N","406863",NA,"PDBC28928","725154","Present"
-"7-(2-Dimethylaminoethyl)-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","7-(2-Dimethylaminoethyl)-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","CC1=C(N(C2=C1S(=O)(=O)C(=NN2)C#N)CCN(C)C)C","INMVFAAINZQRDO-UHFFFAOYSA-N","392824",NA,"PDBC28929","693801","Present"
-"7-(2-Dimethylaminoethyl)-8-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","7-(2-Dimethylaminoethyl)-8-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CO)CCN(C)C","BJVVUXDBTGLBAP-UHFFFAOYSA-N","235298",NA,"PDBC28930","36533","Present"
-"7-(2-Hydroxy-3-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","7-(2-Hydroxy-3-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(COC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6)O","DSWRBCMJHPYKPK-UHFFFAOYSA-N","375237",NA,"PDBC28931","654626","Present"
-"7-(2-Hydroxy-3-1'-piperidinylpropoxy)-1,4-benzotriazin-3-amine 1-oxide","","","","","","","","","","","","","","","","","","","","7-(2-Hydroxy-3-1'-piperidinylpropoxy)-1,2,4-benzotriazin...","","C1CCN(CC1)CC(COC2=CC3=C(C=C2)N=C(N=[N+]3[O-])N)O","HUBUUZXRYIRXBV-UHFFFAOYSA-N","6711500",NA,"PDBC28932","628920","Present"
-"7-(2-Hydroxy-3-isopropoxypropoxy)-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","7-(2-Hydroxy-3-isopropoxypropoxy)-2H-chromen-2-one","","CC(C)OCC(COC1=CC2=C(C=C1)C=CC(=O)O2)O","XXDLEDNWEUOJFI-UHFFFAOYSA-N","381515",NA,"PDBC28933","668271","Present"
-"7-(2-Hydroxy-3-isopropoxypropoxy)-3,4,8-trimethyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","7-(2-Hydroxy-3-isopropoxypropoxy)-3,4,8-trimethyl-2H-chromen-2-one","","CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(COC(C)C)O)C","QQIWFPNIFSWKLZ-UHFFFAOYSA-N","381518",NA,"PDBC28934","668274","Present"
-"7-(2-Hydroxy-3-isopropoxypropoxy)-4-methyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","7-(2-Hydroxy-3-isopropoxypropoxy)-4-methyl-2H-chromen-2-one","","CC1=CC(=O)OC2=C1C=CC(=C2)OCC(COC(C)C)O","XLQZSJWRBDDZCX-UHFFFAOYSA-N","381516",NA,"PDBC28935","668272","Present"
-"7-(2-Hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","7-[(2-Hydroxyethoxy)methyl]-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","","C1=C(C2=C(N1)C(=O)NC=N2)COCCO","CWOXLHVCMIKVSP-UHFFFAOYSA-N","135408236",NA,"PDBC28936","649056","Present"
-"7-(2-Hydroxyethyl)guanine","","","","","","","","","","","","","","","","","","","","Q26840964","","C1=NC2=C(N1CCO)C(=O)NC(=N2)N","OCAWYYAMQRJCOY-UHFFFAOYSA-N","135484986",NA,"PDBC28937","637506","Present"
-"7-(2-Methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(2-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoin...","","COC1=CC=CC=C1CN2C=C3CCC4=C(C3=C2)ON=C4","NYUUTGKBHIEFCB-UHFFFAOYSA-N","60148285",NA,"PDBC28938","754091","Present"
-"7-(2-Methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(2-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,...","","COC1=CC=CC=C1CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5","VMSLKIFRFDOHLF-UHFFFAOYSA-N","60148267",NA,"PDBC28939","754073","Present"
-"7-(2-Nitrobenzoyl)-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one","","","","","","","","","","","","","","","","","","","","7-(2-Nitrobenzoyl)-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one","","C1=CC=C2C(=C1)C(=O)N2C(=O)C3=CC=CC=C3[N+](=O)[O-]","QTFYYDIKYQFVLE-UHFFFAOYSA-N","347098",NA,"PDBC28940","405582","Present"
-"7-(2-Pyrrolidinoethyl)oximino-5-androsten-3b,17b-diol diacetate","","","","","","","","","","","","","","","","","","","","7-(2-Pyrrolidinoethyl)oximino-5-androsten-3b,17b-diol di...","","CC(=O)OC1CCC2(C3CCC4(C(C3C(=NOCCN5CCCC5)C=C2C1)CCC4OC(=O)C)C)C","KEOKUNQXCRLVPS-PJVYGFCVSA-N","24205799",NA,"PDBC28941","736759","Present"
-"7-(2-Trifluoromethylphenyl)-1,4,8,9-tetrakis(m ethoxycarbonyl)bicyclo[3.3.1]non-3-ene","","","","","","","","","","","","","","","","","","","","7-(2-trifluoromethylphenyl)-1,3-dihydroxy-2,4,8,9-tetrak...","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=CC=C3C(F)(F)F","NFXSWNOQVHIYRO-KKKPJCFQSA-N","54706361",NA,"PDBC28942","733346","Present"
-"7-(2-{[1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","7-[2-[[2-Hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O","ZZKILQVTUWDOMA-UHFFFAOYSA-N","386042",NA,"PDBC28943","677608","Present"
-"7-(3,4,5-Trimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(3,4,5-trimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-...","","COC1=CC(=CC(=C1OC)OC)CN2C=C3CCC4=C(C3=C2)ON=C4","YDAVKJAPXRUIHD-UHFFFAOYSA-N","60148288",NA,"PDBC28944","754094","Present"
-"7-(3,4,5-Trimethoxyphenyl)-6a,10,11,11a-tetrahydro-3H-benzo[de]pyrrolo[2,1-a]isoquinolin-9(7H)-one","","","","","","","","","","","","","","","","","","","","15-(3,4,5-Trimethoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-2,4,7,9(16)-tetraen-13-one","","COC1=CC(=CC(=C1OC)OC)C2C3C=CC=C4C3=C(C=CC4)C5N2C(=O)CC5","UZISGKOETGDJKE-UHFFFAOYSA-N","393636",NA,"PDBC28945","695847","Present"
-"7-(3,4-Dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(3,4-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]i...","","COC1=C(C=C(C=C1)CN2C=C3CCC4=C(C3=C2)ON=C4)OC","AQQPAZYXDDZERI-UHFFFAOYSA-N","60148287",NA,"PDBC28946","754093","Present"
-"7-(3,4-Dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(3,4-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazol...","","COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5)OC","OYFNBGHIYAWWIH-UHFFFAOYSA-N","60148271",NA,"PDBC28947","754077","Present"
-"7-(3,4-Dimethoxyphenyl)-7-ethyl-2-hydroxyhexahydro-3H-pyrrolizin-3-one","","","","","","","","","","","","","","","","","","","","7-(3,4-Dimethoxyphenyl)-7-ethyl-2-hydroxyhexahydro-3H-pyrrolizin-3-one","","CCC1(CCN2C1CC(C2=O)O)C3=CC(=C(C=C3)OC)OC","BPMXUPJHEBLWAB-UHFFFAOYSA-N","394157",NA,"PDBC28948","697391","Present"
-"7-(3,5-Dimethyl-1-piperazinyl)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(3,5...","","CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=C(C=C4)N5CCN(CC5)C)F","YBKKWAYASIEQIJ-UHFFFAOYSA-N","384541",NA,"PDBC28949","674549","Present"
-"7-(3,5-Dimethylpiperazin-1-yl)-6-fluoro-1-(5-fluoropyridin-2-yl)-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","1-(5-Fluoro-2-pyridyl)-6-fluoro-(3,5-dimethyl-1-piperazi...","","CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=C(C=C4)F)F","VOYCIUPMLCDDCP-UHFFFAOYSA-N","384539",NA,"PDBC28950","674547","Present"
-"7-(3-((4,8-Dimethyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-4,8-dimethyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","7-(3-((4,8-Dimethyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-4,8-dimethyl-2H-chromen-2-one","","CC1=CC(=O)OC2=C1C=CC(=C2C)OCCCOC3=C(C4=C(C=C3)C(=CC(=O)O4)C)C","VYEHRAYYXSMDJC-UHFFFAOYSA-N","375234",NA,"PDBC28951","654623","Present"
-"7-(3-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","7-(3-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6","MJSPPUXGPXYMDO-UHFFFAOYSA-N","373061",NA,"PDBC28952","648893","Present"
-"7-(3-Amino-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(3-amino-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5...","","COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5)N","MNXCNJAMZLPOFR-UHFFFAOYSA-N","60148283",NA,"PDBC28953","754089","Present"
-"7-(3-Amino-4-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(3-amino-4-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isox...","","COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5)N","NNIHZORVAXIZAJ-UHFFFAOYSA-N","60148277",NA,"PDBC28954","754083","Present"
-"7-(3-Bromophenyl)-3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","","","","","","","","","","","","","","","","","","","7-(3-Bromophenyl)-3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","C1=CC=C2C(=C1)C=CC(=C2C=CC3=NN=C4N(C3=O)N=C(S4)C5=CC(=CC=C5)Br)O","LJJVTDWDWCQHGK-MDZDMXLPSA-N","135436150",NA,"PDBC28955","710572","Present"
-"7-(3-Diethylaminopropyloxy)-5-hydroxy-2-phenyl-4H-4-chromeno ne","","","","","","","","","","","","","","","","","","","","7-(3-diethylaminopropyloxy)-5-hydroxy-2-phenyl-4H-4-chro...","","CCN(CC)CCCOC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O","RZXBJMASGXLQIJ-UHFFFAOYSA-N","24205896",NA,"PDBC28956","737144","Present"
-"7-(3-Ethylamino-2-hydroxypropoxy)-1,4-benzotriazine-3-amine-1,4-dioxide, hydrochloride","","","","","","","","","","","","","","","","","","","","7-(3-Ethylamino-2-hydroxypropoxy)-1,2,4- benzotriazine-3...","","CCNCC(COC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])N)[O-])O.Cl","OVVCTZLMUHZUPP-UHFFFAOYSA-N","135510065",NA,"PDBC28957","623605","Present"
-"7-(3-Hydroxypropoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","7-[(3-Hydroxypropoxy)methyl]-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one","","C1=C(C2=C(N1)C(=O)NC=N2)COCCCO","JWDOOSPBDDZILJ-UHFFFAOYSA-N","135408954",NA,"PDBC28958","649160","Present"
-"7-(3-Methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(3-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoin...","","COC1=CC=CC(=C1)CN2C=C3CCC4=C(C3=C2)ON=C4","JWPJIUTZZXWBIR-UHFFFAOYSA-N","60148284",NA,"PDBC28959","754090","Present"
-"7-(3-N-Ethylacetamido-2-acetoxypropoxy)-1,4-benzotriazin-3-amine 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-(3-N-Ethylacetamido-2-acetoxypropoxy)-1,2,4-benzotriaz...","","CCN(CC(COC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])N)[O-])OC(=O)C)C(=O)C","CRULSIDACXYULI-UHFFFAOYSA-N","135470416",NA,"PDBC28960","623601","Present"
-"7-(3-N-Ethylacetamido-2-hydroxypropoxy)-1,4-benzo triazin-3-amine-1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-(3-N-Ethylacetamido-2-hydroxypropoxy)-1,2,4-benzo tria...","","CCN(CC(COC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])N)[O-])O)C(=O)C","JWLDKAVCUWWQKX-UHFFFAOYSA-N","135503408",NA,"PDBC28961","623600","Present"
-"7-(3-Nitro-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(3-nitro-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5...","","COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5)[N+](=O)[O-]","UPDUEWILHAFPQP-UHFFFAOYSA-N","60148282",NA,"PDBC28962","754088","Present"
-"7-(3-{[2-Hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]amino}butyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","7-[3-[[2-Hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione;hydrochloride","","CC1=C(C=CC(=C1)C(CNC(C)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O)O.Cl","VYRFISBJNCOURR-UHFFFAOYSA-N","24198352",NA,"PDBC28963","293893","Present"
-"7-(4-(Dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide","","","","","","","","","","","","","","","","","","","","Hepta-2,4-dienamide, 7-[4-(dimethylamino)phenyl]-N-hydro...","","CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C","RTKIYFITIVXBLE-WKWSCTOISA-N","6376322",NA,"PDBC28964","709238","Present"
-"7-(4-Bromophenyl)-1,3-dimethyl-5-oxido-2,4-dihydropteridin-5-ium","","","","","","","","","","","","","","","","","","","","7-(4-Bromophenyl)-1,3-dimethyl-5-oxido-2,4-dihydropteridin-5-ium","","CN1CC2=[N+](C=C(N=C2N(C1)C)C3=CC=C(C=C3)Br)[O-]","XSHNQKMKXQHLRW-UHFFFAOYSA-N","4602008",NA,"PDBC28965","621730","Present"
-"7-(4-Bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pyrido[2,3-d]pyrimidinedione, 7-(4-bromopheny...","","CN1C2=C(C=CC(=N2)C3=CC=C(C=C3)Br)C(=O)N(C1=O)C","CRTOJKFOOSHBDI-UHFFFAOYSA-N","363708",NA,"PDBC28966","628868","Present"
-"7-(4-Bromophenyl)-5-(hydroxyimino)-7-oxo-N-phenylheptanamide","","","","","","","","","","","","","","","","","","","","7-(4-Bromophenyl)-5-(hydroxyimino)-7-oxo-N-phenylheptanamide","","C1=CC=C(C=C1)NC(=O)CCCC(=NO)CC(=O)C2=CC=C(C=C2)Br","NYHLULSTEBJGGS-OQKWZONESA-N","5899420",NA,"PDBC28967","632020","Present"
-"7-(4-Bromophenyl)-N-(4-methylphenyl)-5,7-dioxoheptanamide","","","","","","","","","","","","","","","","","","","","7-(4-Bromophenyl)-N-(4-methylphenyl)-5,7-dioxoheptanamide","","CC1=CC=C(C=C1)NC(=O)CCCC(=O)CC(=O)C2=CC=C(C=C2)Br","WPDFUYQXUXFJHZ-UHFFFAOYSA-N","365040",NA,"PDBC28968","631998","Present"
-"7-(4-Chloroanilino)-3-(4-nitrophenyl)triazolo[4,5-d]pyridazin-4-ol","","","","","","","","","","","","","","","","","","","","7-(4-Chloroanilino)-3-(4-nitrophenyl)triazolo[4,5-d]pyridazin-4-ol","","C1=CC(=CC=C1NC2=NNC(=O)C3=C2N=NN3C4=CC=C(C=C4)[N+](=O)[O-])Cl","QCLHBRTVWSASGD-UHFFFAOYSA-N","3784604",NA,"PDBC28969","679075","Present"
-"7-(4-Chlorophenyl)-1-methyl-3-(phenylsulfonyl)-1,6,7-tetrahydro-2H-pyrazolo[3,4-h]quinolin-2-one","","","","","","","","","","","","","","","","","","","","7-(4-chlorophenyl)-1-methyl-3-(phenylsulfonyl)-1,5,6,7-t...","","CN1C2=C(CCC3=C2C=NN3C4=CC=C(C=C4)Cl)C=C(C1=O)S(=O)(=O)C5=CC=CC=C5","YHEDPIVULSUEES-UHFFFAOYSA-N","54613020",NA,"PDBC28970","750759","Present"
-"7-(4-Chlorophenyl)-2-methyl-1,6,2-dioxazepane","","","","","","","","","","","","","","","","","","","","7-(4-Chlorophenyl)-2-methyl-1,6,2-dioxazepane","","CN1CCCOC(O1)C2=CC=C(C=C2)Cl","VBEINFJIRJNJDV-UHFFFAOYSA-N","386977",NA,"PDBC28971","680220","Present"
-"7-(4-Chlorophenyl)-3,10-dimethyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene","","","","","","","","","","","","","","","","","","","","7-(4-Chlorophenyl)-3,10-dimethyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene","","CN1CCC2=C1C3=C(N=C2C4=CC=C(C=C4)Cl)N(CC3)C","NYUDTRIWNVFCSS-UHFFFAOYSA-N","359465",NA,"PDBC28972","620330","Present"
-"7-(4-Chlorophenyl)-4-methyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","7-(4-Chlorophenyl)-4-methyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine","","CC1=C2CCN(C2=NC(=N1)SC)C3=CC=C(C=C3)Cl","YKCZEKSHOYDPMM-UHFFFAOYSA-N","379756",NA,"PDBC28973","664728","Present"
-"7-(4-Chlorophenyl)-9-amino-6H-dibenzo[b,d]pyran-8,10-dicarbonitrile","","","","","","","","","","","","","","","","","","","","9-Amino-7-(4-chlorophenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile","","C1C2=C(C(=C(C(=C2C3=CC=CC=C3O1)C#N)N)C#N)C4=CC=C(C=C4)Cl","APEFDEUXZVKFBR-UHFFFAOYSA-N","399085",NA,"PDBC28974","709501","Present"
-"7-(4-Chlorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-adamantane]","","","","","","","","","","","","","","","","","","","","7'-(4-chlorophenyl)spiro[adamantane-2,3'-[1,2,4,5,7]tetr...","","C1C2CC3CC1CC(C2)C34OOCN(COO4)C5=CC=C(C=C5)Cl","RPHKQQPFALSSGX-UHFFFAOYSA-N","155814032",NA,"PDBC28975","803448","Present"
-"7-(4-Fluorophenylamino)-3-(4-fluorophenyl)-5-methylthiazolo [4,5-d]pyrimidin-6(7H)-one-2(3H)-thione","","","","","","","","","","","","","","","","","","","","7-(4-Fluorophenylamino)- 3-(4-fluorophenyl)-5-methylthia...","","CC1=NC(=C2C(=N1)N(C(=S)S2)C3=CC=C(C=C3)F)NC4=CC=C(C=C4)F","NMBUVSXDKZRPKE-UHFFFAOYSA-N","405146",NA,"PDBC28976","722183","Present"
-"7-(4-Hydroxy-1-methyl-2-oxo-3-quinolyl)-5-methyl-7H-chromeno[3,2-c]quinolin-6-one","","","","","","","","","","","","","","","","","","","","7-(4-Hydroxy-1-methyl-2-oxo-3-quinolyl)-5-methyl-7H-chromeno[3,2-c]quinolin-6-one","","CN1C2=CC=CC=C2C(=C(C1=O)C3C4=CC=CC=C4OC5=C3C(=O)N(C6=CC=CC=C65)C)O","ITFULUCYHTWREB-UHFFFAOYSA-N","54687026",NA,"PDBC28977","642524","Present"
-"7-(4-Hydroxy-3-methoxyphenyl)-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(2-(hydroxy(oxido)amino)phenyl)-7-oxoheptanamide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-N-[(E)-[1-(4-hydroxy-3-methoxyphenyl)-7-(2-nitroanilino)-1,7-dioxoheptan-3-ylidene]amino]naphthalene-2-carboxamide","","COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CCCC(=O)NC4=CC=CC=C4[N+](=O)[O-])O","DXKQDINBZYIUQK-STKMKYKTSA-N","9569991",NA,"PDBC28978","630373","Present"
-"7-(4-Hydroxy-3-nitrobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","7H-Purine, 2,6(1H,3H)-dione, 7-[(4-hydroxy-3-nitrophynyl...","","CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=C(C=C3)O)[N+](=O)[O-]","LLWMYLUVPAFKNJ-UHFFFAOYSA-N","355503",NA,"PDBC28979","609247","Present"
-"7-(4-Methoxybenzyl)-4,4-dimethyl-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(4-methoxybenzyl)-4,4-dimethyl-6-phenyl-5,7-dihydro-4H...","","CC1(CC2=C(N(C=C2C3=C1C=NO3)CC4=CC=C(C=C4)OC)C5=CC=CC=C5)C","ZUXOVRUANBMMIM-UHFFFAOYSA-N","60148275",NA,"PDBC28980","754081","Present"
-"7-(4-Methoxybenzyl)-5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(4-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoin...","","COC1=CC=C(C=C1)CN2C=C3CCC4=C(C3=C2)ON=C4","JRGCIIGJAKZUSO-UHFFFAOYSA-N","54613103",NA,"PDBC28981","748254","Present"
-"7-(4-Methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihyd...","","COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5","JXWDOVBKIROIIP-UHFFFAOYSA-N","60148281",NA,"PDBC28982","754087","Present"
-"7-(4-Methoxybenzyl)-6-phenyl-5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-(4-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,...","","COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5","IHQWCULBSHFACX-UHFFFAOYSA-N","54613109",NA,"PDBC28983","748261","Present"
-"7-(4-Methoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","7-(4-Methoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine","","COC1=CC=C(C=C1)C2CCC3=NC4=NC(=NC(=C4C=C3C2)N)N","BFESUMGCEMLGDM-UHFFFAOYSA-N","401170",NA,"PDBC28984","714366","Present"
-"7-(4-Methoxyphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one","","","","","","","","","","","","","","","","","","","","7-(4-Methoxyphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one","","COC1=CC=C(C=C1)C2=C(C(=O)N3CCCC3C2)C4=CC=CC=C4","KQFPTEUZYOCIGQ-UHFFFAOYSA-N","23661578",NA,"PDBC28985","707904","Present"
-"7-(4-Methoxyphenyl)-8a,8b,9,13b-tetrahydro-5H-indeno[2,1-c]pyrrolo[3,4-a]carbazole-6,8(5bH,7H)-dione","","","","","","","","","","","","","","","","","","","","13-(4-Methoxyphenyl)-9,13-diazahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-2(10),3,5,7,18,20,22-heptaene-12,14-dione","","COC1=CC=C(C=C1)N2C(=O)C3C4CC5=CC=CC=C5C4C6=C(C3C2=O)NC7=CC=CC=C76","NOUHXKFGLHBKDC-UHFFFAOYSA-N","395263",NA,"PDBC28986","699741","Present"
-"7-(4-Methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","7-(4-Methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-6-carbonitrile","","CC1=CC=C(C=C1)C2=C(C(=O)N3CCN=C3S2)C#N","JCYCAGRBYFGYNQ-UHFFFAOYSA-N","391999",NA,"PDBC28987","691793","Present"
-"7-(4-Nitrophenyl)(7H)triazolo[4,5-e]benzofurazan","","","","","","","","","","","","","","","","","","","","Cambridge id 5209272","","C1=CC(=CC=C1N2N=C3C=CC4=NON=C4C3=N2)[N+](=O)[O-]","DTWCJQWJGNIOSC-UHFFFAOYSA-N","382091",NA,"PDBC28988","669450","Present"
-"7-(4-Nitrophenyl)-3-(4-chlorobenzyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazine-4-one","","","","","","","","","","","","","","","","","","","","3-(4-Chlorobenzyl)-7-(4-nitrophenyl)-4h-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","C1=CC(=CC=C1CC2=NN=C3N(C2=O)N=C(S3)C4=CC=C(C=C4)[N+](=O)[O-])Cl","QIRWYWDEFVUGBH-UHFFFAOYSA-N","400061",NA,"PDBC28989","711467","Present"
-"7-(4-Nitrophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile","","","","","","","","","","","","","","","","","","","","2-Quinoxalinecarbonitrile, 7-(4-nitrophenyl)-3-[4-(4-nit...","","C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C4=C([N+]3=O)C=CC(=C4)C5=CC=C(C=C5)[N+](=O)[O-])[O-])C#N","RTTAPOMHRJGSIR-UHFFFAOYSA-N","395038",NA,"PDBC28990","699222","Present"
-"7-(5-Diethylaminopentyloxy)-5-hydroxy-2-phenyl-4H-4-chromeno ne","","","","","","","","","","","","","","","","","","","","7-(5-diethylaminopentyloxy)-5-hydroxy-2-phenyl-4H-4-chro...","","CCN(CC)CCCCCOC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O","VJHJZVCXVAREJT-UHFFFAOYSA-N","24205488",NA,"PDBC28991","736041","Present"
-"7-(6-Bromo-1H-benzimidazol-2-yl)-N-hydroxyheptanamide","","","","","","","","","","","","","","","","","","","","KGEJYSFIEAQAKU-UHFFFAOYSA-N","","C1=CC2=C(C=C1Br)NC(=N2)CCCCCCC(=O)NO","KGEJYSFIEAQAKU-UHFFFAOYSA-N","54613496",NA,"PDBC28992","751165","Present"
-"7-(9-Amino-4-methyl-4,8,10-triazabicyclo[4.4.0]deca-7,9,11-trien-7-yl)-4-methyl-4,8,10-triazabicyclo[4.4.0]deca-7,9,11-trien-9-amine","","","","","","","","","","","","","","","","","","","","6,6'-dimethyl-5,5',6,6',7,7',8,8'-octahydro-4,4'-bipyrid...","","CN1CCC2=C(C1)C(=NC(=N2)N)C3=NC(=NC4=C3CN(CC4)C)N","QDOFXHLKZYKCIA-UHFFFAOYSA-N","340848",NA,"PDBC28993","372037","Present"
-"7-(Acetylamino)-2-hydroxy-3-methyl[1,8]naphthyridine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(Acetylamino)-2-hydroxy-3-methyl[1,8]naphthyridine-4-carboxylic acid","","CC1=C(C2=C(NC1=O)N=C(C=C2)NC(=O)C)C(=O)O","QBFGBGUKUXBWOQ-UHFFFAOYSA-N","5466192",NA,"PDBC28994","680508","Present"
-"7-(Aminosulfonyl)-N-(3-amino-1H-1,2,4-triazol-5-yl)-6-chloro-2H-1,2,4-benzothiadiazine-3-carboxamide 1,1-dioxide","","","","","","","","","","","","","","","","","","","","N-(5-Amino-1H-1,2,4-triazol-3-yl)-6-chloro-1,1-dioxo-7-sulfamoyl-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide","","C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=C(N2)C(=O)NC3=NNC(=N3)N","RKUMZTYXNOVPNU-UHFFFAOYSA-N","3004318",NA,"PDBC28995","644779","Present"
-"7-(Benzenesulfonyl)-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","7-(phenylsulfonyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydr...","","COC1=CC(=CC(=C1OC)OC)C2=C3CCC4=C(C3=CN2S(=O)(=O)C5=CC=CC=C5)N=C(S4)N","DKXPWQAVAWSGSO-UHFFFAOYSA-N","155805045",NA,"PDBC28996","766949","Present"
-"7-(Benzyloxy)-2-nonyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","7-(Benzyloxy)-2-nonyl-4H-chromen-4-one","","CCCCCCCCCC1=CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3","VTWSQHUFJAHKDE-UHFFFAOYSA-N","365038",NA,"PDBC28997","631973","Present"
-"7-(Benzyloxy)-6-methoxy-1-isoquinolinecarbonitrile","","","","","","","","","","","","","","","","","","","","7-(Benzyloxy)-6-methoxy-1-isoquinolinecarbonitrile","","COC1=C(C=C2C(=C1)C=CN=C2C#N)OCC3=CC=CC=C3","OSBXRKKQXZDJOA-UHFFFAOYSA-N","371220",NA,"PDBC28998","645269","Present"
-"7-(Benzyloxy)-8,8-dimethylbicyclo[3.2.1]octan-2-one","","","","","","","","","","","","","","","","","","","","endo-7-Benzyloxy-8,8-dimethylbicyclo[3.2.1]octan-2-one","","CC1(C2CCC(=O)C1C(C2)OCC3=CC=CC=C3)C","AMTBSYPHKIQANQ-UHFFFAOYSA-N","376777",NA,"PDBC28999","657837","Present"
-"7-(Benzylthio)-1,3,4-tetrahydro-2,4-dithioxopyrido[2,3-d]pyr imidine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","7 - (Benzylthio)-1,2,3,4-tetrahydro-2,4-dithioxopyrido[2...","","C1=CC=C(C=C1)CSC2=NC3=C(C=C2C#N)C(=S)NC(=S)N3","DMDDVIJZYLWMAA-UHFFFAOYSA-N","24204326",NA,"PDBC29000","731368","Present"
-"7-(Bis(2-hydroxyethyl)amino)-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","","","","","","","","","","","","","","","","","","","7-(Bis(2-hydroxyethyl)amino)-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","C1=CC=C(C=C1)N2C3=C(C(=NC=N3)N(CCO)CCO)SC2=S","HLZOKJVKCICYJA-UHFFFAOYSA-N","373695",NA,"PDBC29001","650587","Present"
-"7-(Bis(2-hydroxyethyl)amino)-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","","","","","","","","","","","","","","","","","","","7-(Bis(2-hydroxyethyl)amino)-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","CC1=NC2=C(C(=N1)N(CCO)CCO)SC(=S)N2C3=CC=CC=C3","BMDMTDOMLKOEJL-UHFFFAOYSA-N","374357",NA,"PDBC29002","652023","Present"
-"7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene","","","","","","","","","","","","","","","","","","","","7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene","","CC(C=CCl)(C(C=CC(CCl)(CBr)Cl)Cl)Cl","HCTBSUXDIUTHQM-MQQKCMAXSA-N","5387751",NA,"PDBC29003","626778","Present"
-"7-(Bromomethyl)-2h-chromen-2-one","","","","","","","","","","","","","","","","","","","","NCIMech_000601","","C1=CC(=CC2=C1C=CC(=O)O2)CBr","PIRJLYFMCACMRZ-UHFFFAOYSA-N","264119",NA,"PDBC29004","99027","Present"
-"7-(Chloromethyl)-3,4,10-trimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione","","","","","","","","","","","","","","","","","","","","7-(Chloromethyl)-3,4,10-trimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione","","CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C(=CO3)CCl)C)C","KWEJDYVGJIICCR-UHFFFAOYSA-N","371317",NA,"PDBC29005","645391","Present"
-"7-(Diethylamino)-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","7-(Diethylamino)-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=C3OC","JSCXZPKHBWFCGE-UHFFFAOYSA-N","399134",NA,"PDBC29006","709553","Present"
-"7-(Diethylamino)-2-imino-N-phenyl-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","ChemDiv3_000238","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=C3","ZQRXXHZOQZEPLY-UHFFFAOYSA-N","389245",NA,"PDBC29007","684998","Present"
-"7-(Diethylamino)-2-imino-N-pyridin-2-ylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","7-(Diethylamino)-2-imino-N-pyridin-2-ylchromene-3-carboxamide","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=N3","QXYHAXQBJNDURN-UHFFFAOYSA-N","395960",NA,"PDBC29008","701084","Present"
-"7-(Diethylamino)-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydrochromen-2-one","","","","","","","","","","","","","","","","","","","","7-Diethylamino-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]chroman-2-one","","CCN(CC)C1=CC2=C(CC(C(=O)O2)C3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C=C1","RFEFWUFWVXXAPJ-UHFFFAOYSA-N","397583",NA,"PDBC29009","705903","Present"
-"7-(Diethylaminomethyl)quinolin-8-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","7-(Diethylaminomethyl)quinolin-8-ol hydrochloride","","CCN(CC)CC1=C(C2=C(C=CC=N2)C=C1)O.Cl","WPUWENJJSQAQDF-UHFFFAOYSA-N","392861",NA,"PDBC29010","693872","Present"
-"7-(Diisopropylamino)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(1,1...","","CC(C)N(C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3=NC=C(C=C3)N4CCN(CC4)C)F)C(C)C","DNKDYDFQJRKRIG-UHFFFAOYSA-N","384542",NA,"PDBC29011","674550","Present"
-"7-(Dimethylamino)-3,4,13-trimethoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-h]isoindolo[1,2-b][3]benzazepin-5-one","","","","","","","","","","","","","","","","","","","","12-(Dimethylamino)-7,8,21-trimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.03,11.04,9.016,20]henicosa-1(21),2,4(9),5,7,14,16(20)-heptaen-10-one","","CN(C)C1CC2=CC3=C(C(=C2C=C4N1C(=O)C5=C4C=CC(=C5OC)OC)OC)OCO3","RTFMKOOQVKWDHF-UHFFFAOYSA-N","376411",NA,"PDBC29012","657325","Present"
-"7-(Dimethylamino)-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol","","","","","","","","","","","","","","","","","","","","7-(Dimethylamino)-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol","","CN(C)C1=C2C(N3C4=CC=CC=C4N=C3SC2=NC(=N1)SC)O","QSYGKQSEIRIVLK-UHFFFAOYSA-N","394383",NA,"PDBC29013","697783","Present"
-"7-(Dipropylamino)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid","","","","","","","","","","","","","","","","","","","","1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-(1,1-d...","","CCCN(CCC)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3=NC=C(C=C3)N4CCN(CC4)C)F","LXRQSMABQYWEAA-UHFFFAOYSA-N","384543",NA,"PDBC29014","674551","Present"
-"7-(Ethylthio)-1,3,4,-tetrahydro-5-(3,4-dimethoxyphenyl)-2, 4-dithioxopyrido[2,3-d]pyrimidin-6-carbonitrile","","","","","","","","","","","","","","","","","","","","7-(Ethylthio)-1,2,3,4,-tetrahydro-5-(3,4-dimethoxyphenyl...","","CCSC1=NC2=C(C(=C1C#N)C3=CC(=C(C=C3)OC)OC)C(=S)NC(=S)N2","RQFPEWRZUQRIFJ-UHFFFAOYSA-N","24203989",NA,"PDBC29015","730310","Present"
-"7-(Furan-2-yl)-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine","","","","","","","","","","","","","","","","","","","","5-Benzyloxymethyl-7-furan-2-yl-4-me thoxy-5H-pyrrolo[3,2...","","COC1=NC=NC2=C1N(C=C2C3=CC=CO3)COCC4=CC=CC=C4","PRKFETBBZOULQW-UHFFFAOYSA-N","155812934",NA,"PDBC29016","754809","Present"
-"7-(Hydroxy(oxido)amino)-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol","","","","","","","","","","","","","","","","","","","","7-(Hydroxy(oxido)amino)-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol","","C1=CC=C(C=C1)OCC2=CC3=C(C=C2)NC=C3C4C(=O)C5=C(O4)NC6=C(N5)C=CC(=C6)[N+](=O)[O-]","KECPYETZFMNBAJ-UHFFFAOYSA-N","4066133",NA,"PDBC29017","372294","Present"
-"7-(Hydroxymethyl)bicyclo[2.2.1]hept-2-en-5-one","","","","","","","","","","","","","","","","","","","","7-(Hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-one","","C1C2C=CC(C2CO)C1=O","XSHUVUHFTUELGA-UHFFFAOYSA-N","363383",NA,"PDBC29018","628265","Present"
-"7-(Methoxymethyl)-2,5,6-trimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one","","","","","","","","","","","","","","","","","","","","7-(Methoxymethyl)-2,5,6-trimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one","","CC1=C(N(C2=C1C(=O)OC(=N2)C)COC)C","QXXBQFYNTVIFBT-UHFFFAOYSA-N","384434",NA,"PDBC29019","674211","Present"
-"7-(Methoxymethyl)-5,6-dimethyl-1H-pyrrolo[2,3-d][1,3]oxazine-2,4-dione","","","","","","","","","","","","","","","","","","","","7-(Methoxymethyl)-5,6-dimethyl-1H-pyrrolo[2,3-d][1,3]oxazine-2,4-dione","","CC1=C(N(C2=C1C(=O)OC(=O)N2)COC)C","VTGUOTMCZGRNIX-UHFFFAOYSA-N","384432",NA,"PDBC29020","674209","Present"
-"7-(Methylthio)-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","","","","","","","","","","","","","","","","","","","7-(Methylthio)-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","CSC1C2=C(NC=N1)N(C(=S)S2)C3=CC=CC=C3","SBHBUSYDLGLOOS-UHFFFAOYSA-N","373691",NA,"PDBC29021","650583","Present"
-"7-(Morpholin-4-ylmethyl)quinolin-8-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","QMOH","","C1COCCN1CC2=C(C3=C(C=CC=N3)C=C2)O.Cl","OMGKJDSTLJXRJC-UHFFFAOYSA-N","378889",NA,"PDBC29022","662298","Present"
-"7-(Phenyl(4-toluidino)methyl)-8-quinolinol","","","","","","","","","","","","","","","","","","","","7-(phenyl(p-tolylamino)methyl)quinolin-8-ol","","CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O","HUMXPASVXGPBQJ-UHFFFAOYSA-N","256755",NA,"PDBC29023","84093","Present"
-"7-(Phenylsulfonyl)benzimidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-6-amine","","","","","","","","","","","","","","","","","","","","12-(Benzenesulfonyl)-2,9,14,21-tetrazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaen-11-amine","","C1=CC=C(C=C1)S(=O)(=O)C2=C(C3=NC4=CC=CC=C4N3C5=NC6=CC=CC=C6N=C25)N","QMMXPFLPMUAXCB-UHFFFAOYSA-N","372780",NA,"PDBC29024","648404","Present"
-"7-(Piperidin-1-ylmethyl)quinolin-8-ol","","","","","","","","","","","","","","","","","","","","DNDI1416985","","C1CCN(CC1)CC2=C(C3=C(C=CC=N3)C=C2)O","WXMFPLZGDXLEMN-UHFFFAOYSA-N","245742",NA,"PDBC29025","57969","Present"
-"7-(Prop-2-ynoxymethyl)purin-6-amine","","","","","","","","","","","","","","","","","","","","6-Amino-7-(Proparglyoxymethyl)purine","","C#CCOCN1C=NC2=NC=NC(=C21)N","PVBNIWFJROZEBJ-UHFFFAOYSA-N","365491",NA,"PDBC29026","633125","Present"
-"7-(Pyrrolidin-1-ylmethyl)quinolin-8-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 7-[(1-pyrrolidinyl)methyl]-, dihydrochloride","","C1CCN(C1)CC2=C(C3=C(C=CC=N3)C=C2)O.Cl","LLLRYTCTMPBCOR-UHFFFAOYSA-N","392859",NA,"PDBC29027","693871","Present"
-"7-(Trifluoromethyl)-1,2,3-benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","7-(Trifluoromethyl)-1,2,3-benzodithiazol-1-ium;chloride","","C1=CC2=NS[S+]=C2C(=C1)C(F)(F)F.[Cl-]","YJTFWVZIHPWDBV-UHFFFAOYSA-M","359783",NA,"PDBC29028","621348","Present"
-"7-(Trifluoromethyl)-3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(Trifluoromethyl)-3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylic acid","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O","PPQJBLNFEBMMEK-UHFFFAOYSA-N","389431",NA,"PDBC29029","685513","Present"
-"7-(Trifluoromethyl)-3-[(3,4-dichlorophenyl)amino]quinoxaline-2-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(3,4-dichlorophenyl)amino]-7-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC(=C(C=C3)Cl)Cl","GKILVNOPGCXXDI-UHFFFAOYSA-N","387133",NA,"PDBC29030","680549","Present"
-"7-(Trifluoromethyl)-3-[(3,4-dimethoxyphenyl)amino]quinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3-[(3,4-Dimethoxyphenyl)amino]-7-(trifluoromethyl)quinoxaline-2-carboxylic acid","","COC1=C(C=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O)OC","AEFZILOFLIFSQA-UHFFFAOYSA-N","386962",NA,"PDBC29031","680189","Present"
-"7-(Trifluoromethyl)-3H-1,2,3-benzodithiazole 2-oxide","","","","","","","","","","","","","","","","","","","","7-(Trifluoromethyl)-3H-1,2,3-benzodithiazole 2-oxide","","C1=CC(=C2C(=C1)NS(=O)S2)C(F)(F)F","XVPTZYWARIRDEB-UHFFFAOYSA-N","367354",NA,"PDBC29032","636991","Present"
-"7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","COC1=CC(=CC(=C1OC)OC)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F","BQSPXLFDCJTCES-UHFFFAOYSA-N","367578",NA,"PDBC29033","637411","Present"
-"7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine","","","","","","","","","","","","","","","","","","","","7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4","IMCLBXOFMFYEDT-UHFFFAOYSA-N","400209",NA,"PDBC29034","711727","Present"
-"7-(alpha-Anilino-P-nitrobenzyl)-8-quinolinol","","","","","","","","","","","","","","","","","","","","7-(.ALPHA.-ANILINO-P-NITROBENZYL)-8-QUINOLINOL","","C1=CC=C(C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=C(C=CC=N4)C=C3)O","IEHZRRMDWJJZBT-UHFFFAOYSA-N","219565",NA,"PDBC29035","1013","Present"
-"7-(beta-D-Ribofuranosyl)-4-aminothieno[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","7-(.beta.-D-ribofuranosyl)-4-aminothieno[3,4-d]pyrimidine","","C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)N=CN=C2N","VTCXCOOTIXNZFE-UHFFFAOYSA-N","373978",NA,"PDBC29036","651010","Present"
-"7-Acetamido-1,2,4-benzotriazin-3-amine 1-oxide","","","","","","","","","","","","","","","","","","","","7-Acetamido-1,2,4-benzotriazin-3-amine 1-oxide","","CC(=O)N=C1C=CC2=NC(=NN(C2=C1)O)N","SPPUUZDXDMCILQ-UHFFFAOYSA-N","494410",NA,"PDBC29037","623602","Present"
-"7-Acetyl-4-hydroxy-3-imino-5-(p-tolyl)-1,2-dihydropyrazolo[4,3-c]pyridin-6-one","","","","","","","","","","","","","","","","","","","","7-Acetyl-3-amino-5-(p-tolyl)-1,2-dihydropyrazolo[4,5-c]pyridine-4,6-dione","","CC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C(=NN3)N)C(=O)C)O","CDEXRXPTPZXSKI-UHFFFAOYSA-N","135485260",NA,"PDBC29038","692005","Present"
-"7-Acetyl-5-(4-chlorophenyl)-3-imino-1,2,3,5-tetrahydro-4H-pyrazolo[4,3-c]pyridin-4-one","","","","","","","","","","","","","","","","","","","","7-Acetyl-5-(4-chlorophenyl)-3-imino-1,2,3,5-tetrahydro-4H-pyrazolo[4,3-c]pyridin-4-one","","CC(=O)C1=CN(C(=O)C2=C1NN=C2N)C3=CC=C(C=C3)Cl","GTUBFTHBTJTYIJ-UHFFFAOYSA-N","392163",NA,"PDBC29039","692043","Present"
-"7-Acetyl-6-hydroxy-3-methyl-benzofuran-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-acetyl-6-hydroxy-3-methylbenzofuran carboxylic acid","","CC1=C(OC2=C1C=CC(=C2C(=O)C)O)C(=O)O","AQMCATUUSZRBCB-UHFFFAOYSA-N","12334349",NA,"PDBC29040","726125","Present"
-"7-Allyloxy-4,8-dimethylcoumarin","","","","","","","","","","","","","","","","","","","","7-Allyloxy-4,8-dimethylcoumarin","","CC1=CC(=O)OC2=C1C=CC(=C2C)OCC=C","CWBNOQSQEHMTNZ-UHFFFAOYSA-N","96225",NA,"PDBC29041","60417","Present"
-"7-Amino-1,8-naphthyridine-2,4-diol","","","","","","","","","","","","","","","","","","","","YKWBJEGNZIUWLI-UHFFFAOYSA-N","","C1=CC(=NC2=C1C(=CC(=O)N2)O)N","YKWBJEGNZIUWLI-UHFFFAOYSA-N","54680447",NA,"PDBC29042","680514","Present"
-"7-Amino-1-fluorofluoren-9-one","","","","","","","","","","","","","","","","","","","","7-Amino-1-fluoro-9h-fluoren-9-one","","C1=CC2=C(C(=C1)F)C(=O)C3=C2C=CC(=C3)N","OCMPJISNJWIRHA-UHFFFAOYSA-N","284793",NA,"PDBC29043","141057","Present"
-"7-Amino-2-(5-bromothiophen-2-yl)-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","7-Amino-2-(5-bromo-2-thienyl)-1h-1,8-naphthyridin-4-one","","C1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=C(S3)Br)N","USCOXGKLCOOGGG-UHFFFAOYSA-N","396018",NA,"PDBC29044","701193","Present"
-"7-Amino-2-thiophen-2-yl-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","7-Amino-2-(2-thienyl)-1h-1,8-naphthyridin-4-one","","C1=CSC(=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)N","HSTLNPRJMWUBDQ-UHFFFAOYSA-N","396019",NA,"PDBC29045","701194","Present"
-"7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid diphenylmethyl ester hydrochloride","","","","","","","","","","","","","","","","","","","","7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid diphen...","","C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CCl.Cl","HDYOATPRFNMLSX-KYSFMIDTSA-N","13239628",NA,"PDBC29046","736204","Present"
-"7-Amino-3-methyl-2-quinoxalinol","","","","","","","","","","","","","","","","","","","","7-Amino-3-methyl-2-quinoxalinol","","CC1=NC2=C(C=C(C=C2)N)NC1=O","DFHAAEQYIMWJIZ-UHFFFAOYSA-N","371851",NA,"PDBC29047","646371","Present"
-"7-Amino-3-methyl-4-methylsulfanyl-6-oxo-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Amino-3-methyl-4-methylsulfanyl-6-oxo-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonitrile","","CC1=NN(C2=C1C(=C(C(=O)N2N)C#N)SC)C3=CC=CC=C3","ASRNNRGSCLUAKL-UHFFFAOYSA-N","392145",NA,"PDBC29048","692025","Present"
-"7-Amino-3-methyl-4-methylsulfanyl-6-oxo-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Amino-3-methyl-4-methylsulfanyl-6-oxo-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile","","CC1=C2C(=C(C(=O)N(C2=NN1)N)C#N)SC","AQMIKSNMUHNAAO-UHFFFAOYSA-N","392147",NA,"PDBC29049","692027","Present"
-"7-Amino-3-methyl[1,8]naphthyridin-2-ol","","","","","","","","","","","","","","","","","","","","DA-35827","","CC1=CC2=C(NC1=O)N=C(C=C2)N","SOGDUVFLHGEYGM-UHFFFAOYSA-N","5466188",NA,"PDBC29050","680468","Present"
-"7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","","","","","","","","","","","","","","","","","","","7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","C1=CC=C(C=C1)N2C3=NC=NC(=C3SC2=S)N","UBPKNSFYSVPNCV-UHFFFAOYSA-N","373694",NA,"PDBC29051","650586","Present"
-"7-Amino-4,5a-bis(diethoxymethyl)-5a,6a,7,9a-tetrahydroindolo[3,4-fg][1,3]benzoxazole-5,8(4H,6H)-dione","","","","","","","","","","","","","","","","","","","","5-Amino-8,10-bis(diethoxymethyl)-3-oxa-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),11,13-triene-4,9-dione","","CCOC(C12CC3C(C4=C1C(=CC=C4)N(C2=O)C(OCC)OCC)OC(=O)N3N)OCC","ZWYGWIYEIBJJQL-UHFFFAOYSA-N","376966",NA,"PDBC29052","658166","Present"
-"7-Amino-4,6-dimethyl-quinolin-2-ol","","","","","","","","","","","","","","","","","","","","BAS 03603252","","CC1=CC2=C(C=C1N)NC(=O)C=C2C","ABQYXNJQAUIVJZ-UHFFFAOYSA-N","395570",NA,"PDBC29053","700276","Present"
-"7-Amino-4-isopropyl-2-quinolinol","","","","","","","","","","","","","","","","","","","","7-Amino-4-isopropyl-2-quinolinol","","CC(C)C1=CC(=O)NC2=C1C=CC(=C2)N","SVDMFRWGUCQNBQ-UHFFFAOYSA-N","395571",NA,"PDBC29054","700277","Present"
-"7-Amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","7-amino-5-(4-chlorophenyl)-3-phenyl-thiazolo[4,5-d]pyrim...","","C1=CC=C(C=C1)N2C3=NC(=NC(=C3SC2=S)N)C4=CC=C(C=C4)Cl","AJTSSPAMBYGUDE-UHFFFAOYSA-N","155810499",NA,"PDBC29055","781114","Present"
-"7-Amino-5-bromo-3-methyl-3,4-dihydro[1,6]naphthyridin-2(1H)-one","","","","","","","","","","","","","","","","","","","","7-Amino-5-bromo-3-methyl-3,4-dihydro[1,6]naphthyridin-2(1H)-one","","CC1CC2=C(N=C(C=C2NC1=O)N)Br","VMPCGKDNTAVXPD-UHFFFAOYSA-N","381861",NA,"PDBC29056","669031","Present"
-"7-Amino-6,8-bis(4-methoxyphenyl)-5-pentyl-2a,9-dihydro-1H-benzo[cd]indol-2-one","","","","","","","","","","","","","","","","","","","","7-Amino-6,8-bis(4-methoxyphenyl)-5-pentyl-2a,9-dihydro-1H-benzo[cd]indol-2-one","","CCCCCC1=C2C3C(C=C1)C(=O)NC3=C(C(=C2C4=CC=C(C=C4)OC)N)C5=CC=C(C=C5)OC","JYGMVYPLYLYVJB-UHFFFAOYSA-N","398183",NA,"PDBC29057","707778","Present"
-"7-Amino-6-(4-methoxyphenyl)cyclopenta[b]pyridin-5-one","","","","","","","","","","","","","","","","","","","","7-Amino-6-(4-methoxyphenyl)cyclopenta[b]pyridin-5-one","","COC1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC=N3)N","CEBWOZPGWSPCME-UHFFFAOYSA-N","389552",NA,"PDBC29058","685857","Present"
-"7-Amino-6-chloro-5,8-dioxonaphthalene-2-sulfonamide","","","","","","","","","","","","","","","","","","","","7-Amino-6-chloro-5,8-dioxonaphthalene-2-sulfonamide","","C1=CC2=C(C=C1S(=O)(=O)N)C(=O)C(=C(C2=O)Cl)N","ICJBRQPJQVOTDH-UHFFFAOYSA-N","240739",NA,"PDBC29059","47384","Present"
-"7-Amino-6-methoxy-2-methyl-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","5,8-Quinolinedione, 7-amino-6-methoxy-2-methyl-","","CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)N)OC","FKAAKWCKLUDXOB-UHFFFAOYSA-N","280616",NA,"PDBC29060","132493","Present"
-"7-Amino-6-methyl-4-phenyl-2-quinolinol","","","","","","","","","","","","","","","","","","","","7-Amino-6-methyl-4-phenyl-2-quinolinol","","CC1=CC2=C(C=C1N)NC(=O)C=C2C3=CC=CC=C3","CBNMAZBBRDEJOF-UHFFFAOYSA-N","395572",NA,"PDBC29061","700278","Present"
-"7-Aminoquinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","NSC76885","","C1=CC2=C(C(=O)C(=CC2=O)N)N=C1","QHJBNEFEIDZZCN-UHFFFAOYSA-N","253688",NA,"PDBC29062","76885","Present"
-"7-Aminothiadiazolo[5,4-d]pyrimidin-5-ol","","","","","","","","","","","","","","","","","","","","5-Hydroxy-7-amino(1,2,3)thiadiazole[5,4-d]pyrimidine","","C12=C(NC(=O)N=C1SN=N2)N","RAHVCPJGTSUPLH-UHFFFAOYSA-N","135420622",NA,"PDBC29063","675278","Present"
-"7-Aminothiadiazolo[5,4-d]pyrimidine-5-thiol","","","","","","","","","","","","","","","","","","","","7-Aminothiadiazolo[5,4-d]pyrimidine-5-thiol","","C12=C(NC(=S)N=C1SN=N2)N","PMUWYAUFNZXJPC-UHFFFAOYSA-N","135420487",NA,"PDBC29064","674553","Present"
-"7-Angelyl-1-methylene-pyrrolizidine","","","","","","","","","","","","","","","","","","","","7-Angelyl-1-methylene-pyrrolizidine","","CC=C(C)C(=O)OC1CCN2C1C(=C)CC2","DUWDHZAOPSTHFG-LYWJNLOJSA-N","5468382",NA,"PDBC29065","669362","Present"
-"7-Anilino-2,5-diimino-3-[(E)-phenylazo]-1,4-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Anilino-2,5-diimino-3-[(E)-phenylazo]-1,4-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile","","C1=CC=C(C=C1)NC2=C(C(=NC3=C(C(=NN32)N)N=NC4=CC=CC=C4)N)C#N","HXZORFDKKMYCHG-UHFFFAOYSA-N","385326",NA,"PDBC29066","676443","Present"
-"7-Anilino-3-methyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Anilino-3-methyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile","","CCCN=C1C(=C(SC=C(N1)C)NC2=CC=CC=C2)C#N","HIXPWLZAXVPZEU-UHFFFAOYSA-N","135450458",NA,"PDBC29067","693233","Present"
-"7-Anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile","","C1=CC=C(C=C1)CN=C2C(=C(SC=C(N2)C3=CC=CC=C3)NC4=CC=CC=C4)C#N","CIEQHAQRCYREHQ-UHFFFAOYSA-N","135408097",NA,"PDBC29068","693234","Present"
-"7-Aza-phomopsolide E","","","","","","","","","","","","","","","","","","","","7-aza-phomopsolide E","","CC=C(C)C(=O)OC1C=CC(=O)OC1CNC(=O)C(C)O","XZYKRDKKCJVLNQ-SPJFXFQZSA-N","45028012",NA,"PDBC29069","740607","Present"
-"7-Azido-3-phenyl-thiazolo[4,5-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","7-Azido-3-phenyl-thiazolo[4,5-d]pyrimidine-2-thione","","C1=CC=C(C=C1)N2C3=NC=NC(=C3SC2=S)N=[N+]=[N-]","WTYLMBWFTMMHLP-UHFFFAOYSA-N","373693",NA,"PDBC29070","650585","Present"
-"7-Benzoyl-1,2,4,5,5a,6,7,8,9,9a-decahydrobenzo[c]azepin-3-one;2-benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one","","","","","","","","","","","","","","","","","","","","7-Benzoyl-1,2,4,5,5a,6,7,8,9,9a-decahydrobenzo[c]azepin-3-one;2-benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one","","C1CC2CNC(=O)CCC2CC1C(=O)C3=CC=CC=C3.C1CNC(=O)CC2C1CN(CC2)C(=O)C3=CC=CC=C3","JEYDSZDVQGNSTA-UHFFFAOYSA-N","359206",NA,"PDBC29071","619916","Present"
-"7-Benzoyl-1-(4-methylphenyl)-1H,4-a]benzimidaz ole","","","","","","","","","","","","","","","","","","","","7-Benzoyl-1-(4-methylphenyl)-1H,3H-thiazolo[3,4-a]benzim...","","CC1=CC=C(C=C1)C2N3C(=NC4=C3C=C(C=C4)C(=O)C5=CC=CC=C5)CS2","QSGOLQKUCLLWQA-UHFFFAOYSA-N","24202972",NA,"PDBC29072","726409","Present"
-"7-Benzoyl-11,12-dimethoxy-8,9-dihydro-6H-benzo[de][1,3]benzodioxolo[4,5-g]quinoline-6a(7H)-carbonitrile","","","","","","","","","","","","","","","","","","","","13-Benzoyl-18,19-dimethoxy-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(20),2(10),3(7),8,16,18-hexaene-12-carbonitrile","","COC1=C(C2=C3C(=C1)CCN(C3(CC4=C2C5=C(C=C4)OCO5)C#N)C(=O)C6=CC=CC=C6)OC","VRXSSIKSYXDIOR-UHFFFAOYSA-N","363095",NA,"PDBC29073","627665","Present"
-"7-Benzoyl-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene","","","","","","","","","","","","","","","","","","","","7-Benzoyl-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene","","C1CC2C(=C(C1N2C(=O)C3=CC=CC=C3)C(F)(F)F)C(F)(F)F","MOQUFGYMVKYBAL-UHFFFAOYSA-N","361849",NA,"PDBC29074","625170","Present"
-"7-Benzoyl-3-chloroindolizine-1,2-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","BAS 01953563","","COC(=O)C1=C2C=C(C=CN2C(=C1C(=O)OC)Cl)C(=O)C3=CC=CC=C3","PSYFVGWQOHNAMX-UHFFFAOYSA-N","376112",NA,"PDBC29075","656596","Present"
-"7-Benzoyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol","","","","","","","","","","","","","","","","","","","","7-Benzoyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol","","C1=CC=C(C=C1)C2=CN(C3=C2C(=O)NC=N3)C(=O)C4=CC=CC=C4","YDBFIGPAHUHCLW-UHFFFAOYSA-N","135489891",NA,"PDBC29076","691987","Present"
-"7-Benzoyl-8,9-dihydro-6H-benzo[de][1,3]benzodioxolo[4,5-g]quinoline-6a(7H)-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Benzoyl-8,9-dihydro-6H-benzo[de][1,3]benzodioxolo[4,5-g]quinoline-6a(7H)-carbonitrile","","C1CN(C2(CC3=C(C4=CC=CC1=C42)C5=C(C=C3)OCO5)C#N)C(=O)C6=CC=CC=C6","GDXKDUZGELXZPM-UHFFFAOYSA-N","363318",NA,"PDBC29077","628138","Present"
-"7-Benzyl-2-(4-phenylphenyl)-1H-indole","","","","","","","","","","","","","","","","","","","","7-Benzyl-2-(4-phenylphenyl)-1H-indole","","C1=CC=C(C=C1)CC2=CC=CC3=C2NC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5","HMRLZJNBLDBBRV-UHFFFAOYSA-N","392906",NA,"PDBC29078","694088","Present"
-"7-Benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione","","","","","","","","","","","","","","","","","","","","7-Benzyl-2-methylhexahydro-6H-pyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8(2H,7H)-dione 5,5-dioxide","","CN1CCS(=O)(=O)NC(C(=O)N2CCCC2C1=O)CC3=CC=CC=C3","HNKPSCFTSSIEQN-UHFFFAOYSA-N","370123",NA,"PDBC29079","642715","Present"
-"7-Benzyl-3,4-dimethyl-3H-[1,4]diazepino[6,5-c]quinoline-2,5-dione","","","","","","","","","","","","","","","","","","","","7-Benzyl-3,4-dihydro-3,4-dimethyk-2H-1,4-diazepino[6,5-c...","","CC1C(=O)N=C2C3=CC=CC=C3N(C=C2C(=O)N1C)CC4=CC=CC=C4","XTUHZAUWTILMIV-UHFFFAOYSA-N","363839",NA,"PDBC29080","629105","Present"
-"7-Benzyl-3-(2,5-diphenylpyrazol-3-yl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one","","","","","","","","","","","","","","","","","","","","7-Benzyl-3-(2,5-diphenylpyrazol-3-yl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one","","C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)C6=CC(=NN6C7=CC=CC=C7)C8=CC=CC=C8","DWTPZIGMZMROQS-UHFFFAOYSA-N","45028575",NA,"PDBC29081","743385","Present"
-"7-Benzyl-3-(3-phenyl-1,2-oxazol-5-yl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one","","","","","","","","","","","","","","","","","","","","7-Benzyl-3-(3-phenyl-1,2-oxazol-5-yl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one","","C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)C6=CC(=NO6)C7=CC=CC=C7","LHDRUTFDCQCSQE-UHFFFAOYSA-N","45028576",NA,"PDBC29082","743386","Present"
-"7-Benzyl-3-(4-bromophenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one","","","","","","","","","","","","","","","","","","","","7-Benzyl-3-(4-bromophenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one","","C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)C6=CC=C(C=C6)Br","SLJIYVZAJGVWTF-UHFFFAOYSA-N","45028599",NA,"PDBC29083","743479","Present"
-"7-Benzyl-3-(chloromethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one","","","","","","","","","","","","","","","","","","","","7-Benzyl-3-(chloromethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one","","C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)CCl","OOCGLUJSCXNCAX-UHFFFAOYSA-N","45028602",NA,"PDBC29084","743482","Present"
-"7-Benzyl-3-[(E)-3-oxo-3-phenylprop-1-enyl]-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one","","","","","","","","","","","","","","","","","","","","7-Benzyl-3-[(E)-3-oxo-3-phenylprop-1-enyl]-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one","","C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)C=CC(=O)C6=CC=CC=C6","PERWQESDYTYKHP-FOCLMDBBSA-N","45028585",NA,"PDBC29085","743396","Present"
-"7-Benzyl-5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-benzyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","C1CC2=C(C3=CN(C=C31)CC4=CC=CC=C4)ON=C2","FCEPTYLBEZWNAC-UHFFFAOYSA-N","54613102",NA,"PDBC29086","748253","Present"
-"7-Benzyl-5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine","","","","","","","","","","","","","","","","","","","","7-Benzyl-5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine","","CC1=CN(C2=C1C(=NC(=N2)SC)SC)CC3=CC=CC=C3","SOEUNYCRNHLSCE-UHFFFAOYSA-N","358958",NA,"PDBC29087","619125","Present"
-"7-Benzyl-6,7-dihydro-2,3,4,5-tetrathia-7-aza-1H-cyclopenta[a]pentalene-1,6-dithione","","","","","","","","","","","","","","","","","","","","7-Benzyl-3,4,10,11-tetrathia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6)-diene-5,9-dithione","","C1=CC=C(C=C1)CN2C3=C(C4=C2C(=S)SS4)SSC3=S","FJTJYWDXXQALAD-UHFFFAOYSA-N","402775",NA,"PDBC29088","716982","Present"
-"7-Benzyl-6,8-dibromo-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","7-benzyl-6,8-dibromo-5,7-dihydro-4H-[1,3]thiazolo[4,5-e]...","","C1CC2=C(C3=C(N(C(=C31)Br)CC4=CC=CC=C4)Br)N=C(S2)N","KWZXCRJDJIDXDP-UHFFFAOYSA-N","155805050",NA,"PDBC29089","766941","Present"
-"7-Benzyl-6-phenyl-5,4-e]isoindole","","","","","","","","","","","","","","","","","","","","7-benzyl-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole","","C1CC2=C(N(C=C2C3=C1C=NO3)CC4=CC=CC=C4)C5=CC=CC=C5","JCSOLOWWVQJVRI-UHFFFAOYSA-N","54613108",NA,"PDBC29090","748260","Present"
-"7-Benzyl-8-chloro-1,2,3,6-tetrahydro-as-indacene","","","","","","","","","","","","","","","","","","","","7-Benzyl-8-chloro-1,2,3,6-tetrahydro-as-indacene","","C1CC2=C(C1)C3=C(CC(=C3Cl)CC4=CC=CC=C4)C=C2","BXCOOJFVUSXPFB-UHFFFAOYSA-N","385724",NA,"PDBC29091","677070","Present"
-"7-Benzyloxy-3-methyl-3-methylsulfanyl-5-nitro-indolin-2-one","","","","","","","","","","","","","","","","","","","","7-Benzyloxy-3-methyl-3-methylsulfanyl-5-nitro-indolin-2-one","","CC1(C2=C(C(=CC(=C2)[N+](=O)[O-])OCC3=CC=CC=C3)NC1=O)SC","GILSTAGPKOKDLC-UHFFFAOYSA-N","396961",NA,"PDBC29092","704198","Present"
-"7-Benzyloxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline; formic acid","","","","","","","","","","","","","","","","","","","","7-Benzyloxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline; formic acid","","COC1=C(C=C2CNCCC2=C1)OCC3=CC=CC=C3.C(=O)O","BYPPXCJQJMNKEE-UHFFFAOYSA-N","370810",NA,"PDBC29093","644332","Present"
-"7-Benzylsulfanyl-5-(furan-2-yl)-2,4-bis(sulfanylidene)-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","7-(Benzylthio)-5-(furan-2-yl)-1,2,3,4-tetrahydro-2,4-dit...","","C1=CC=C(C=C1)CSC2=NC3=C(C(=C2C#N)C4=CC=CO4)C(=S)NC(=S)N3","OPJYXTXPZVNNEA-UHFFFAOYSA-N","24204316",NA,"PDBC29094","731358","Present"
-"7-Bromo-1,3-dimethyl-9H-purino[7,8-a]pyrimidine-2,4,8-trione","","","","","","","","","","","","","","","","","","","","7-Bromo-1,3-dimethyl-9H-purino[7,8-a]pyrimidine-2,4,8-trione","","CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=O)NC3=N2)Br","LNTNIQPXIJZNEZ-UHFFFAOYSA-N","135489895",NA,"PDBC29095","692327","Present"
-"7-Bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol","","","","","","","","","","","","","","","","","","","","6,7'-Dibromo-1,1'-binaphthalene-2,2'-diol","","C1=CC(=CC2=C1C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)Br)O)O)Br","AZPRHDUQMJONLU-UHFFFAOYSA-N","380863",NA,"PDBC29096","666603","Present"
-"7-Bromo-13-hydroxy-3-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione","","","","","","","","","","","","","","","","","","","","3-Bromo-6-hydroxy-13-methyl-12,13-dihydro-5H-indolo[2,3-...","","CN1C2=C(C=C(C=C2)Br)C3=C4C(=C5C6=CC=CC=C6NC5=C31)C(=O)N(C4=O)O","SSKUBXWRQZAJTR-UHFFFAOYSA-N","155815742",NA,"PDBC29097","802076","Present"
-"7-Bromo-2-phenyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","7-Bromo-2-phenyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one","","C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Br)C(=O)N2NC4C(C(C(C(O4)CO)O)O)O","HKEOLBNRWPQIRP-UHFFFAOYSA-N","363487",NA,"PDBC29098","628411","Present"
-"7-Bromo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one","","","","","","","","","","","","","","","","","","","","7-Bromo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one","","C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=C(N4)C=CC(=C5)Br","KWZBMRBWEHFCMK-UHFFFAOYSA-N","384881",NA,"PDBC29099","675477","Present"
-"7-Bromo-3,4-dihydro-1H-1-benzazepine-2,5-dione","","","","","","","","","","","","","","","","","","","","XSSMUNSMBSUOAW-UHFFFAOYSA-N","","C1CC(=O)NC2=C(C1=O)C=C(C=C2)Br","XSSMUNSMBSUOAW-UHFFFAOYSA-N","369399",NA,"PDBC29100","641164","Present"
-"7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole","","","","","","","","","","","","","","","","","","","","2,1,3-Benzothiadiazole, 7-bromo-5-methyl-4-nitro-","","CC1=C(C2=NSN=C2C(=C1)Br)[N+](=O)[O-]","HUMWHYXXWVTAQW-UHFFFAOYSA-N","332746",NA,"PDBC29101","331798","Present"
-"7-Bromo-4-hydroxy-3-[(3-methyl-4-oxo-2-thioxoimidazolidin-1-yl)carbamoyl]-2H-1,2-benzothiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","7-Bromo-4-hydroxy-N-(3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxamide","","CN1C(=O)CN(C1=S)NC(=O)C2=C(C3=C(C=C(C=C3)Br)S(=O)(=O)N2)O","SOPVBQVWMZTLEQ-UHFFFAOYSA-N","54691337",NA,"PDBC29102","698128","Present"
-"7-Bromo-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-2-one; dichloropalladium","","","","","","","","","","","","","","","","","","","","7-Bromo-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-2-one; dichloropalladium","","","","",NA,"PDBC29103","643409","Present"
-"7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione","","CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)Br)OC","XEGBXQGPUKNRNM-UHFFFAOYSA-N","280615",NA,"PDBC29104","132492","Present"
-"7-Bromo-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol","","","","","","","","","","","","","","","","","","","","7-Bromo-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol","","COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)Br","HIBAJFZGXFZFAE-UHFFFAOYSA-N","359623",NA,"PDBC29105","620682","Present"
-"7-Bromo-6a,9b-dihydro-1H-benzo[ij][2,7]naphthyridine","","","","","","","","","","","","","","","","","","","","7-Bromo-6a,9b-dihydro-1H-benzo[ij][2,7]naphthyridine","","C1=CNC2=CC=C(C3C2C1=CC=N3)Br","BRKQTXFMIRVPGN-UHFFFAOYSA-N","363119",NA,"PDBC29106","627687","Present"
-"7-Bromo-indirubin with water-solubilizing extension on position 3'","","","","","","","","","","","","","","","","","","","","7-bromo-indirubin with water-solubilizing extension on p...","","C1CCN(C1)CCON=C2C3=CC=CC=C3N=C2C4=C(NC5=C4C=CC=C5Br)O.Cl","LMLGODGKMLZANI-QUIVHVOCSA-N","135580441",NA,"PDBC29107","740043","Present"
-"7-Bromodibenzo[a,c]cycloocten-5(6H)-one","","","","","","","","","","","","","","","","","","","","(10E)-10-Bromotricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one","","C1C(=CC2=CC=CC=C2C3=CC=CC=C3C1=O)Br","WTBQKTXQSJRFSR-FMIVXFBMSA-N","5467079",NA,"PDBC29108","647350","Present"
-"7-Bromoquinolin-8-ol","","","","","","","","","","","","","","","","","","","","7-Bromoquinolin-8-ol","","C1=CC2=C(C(=C(C=C2)Br)O)N=C1","ICKPMTNGWVNOGC-UHFFFAOYSA-N","384161",NA,"PDBC29109","673452","Present"
-"7-Butyl-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Butyl-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","CCCCN1C(=C(C2=C1NN=C(S2(=O)=O)C#N)C)C","KBDCRCPYQVTNAB-UHFFFAOYSA-N","392823",NA,"PDBC29110","693800","Present"
-"7-Cheto-deoxycholic acid","","","","","","","","","","","","","","","","","","","","7-Cheto-deoxycholic acid","","CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C","RHCPKKNRWFXMAT-LRDSFOOTSA-N","376839",NA,"PDBC29111","657957","Present"
-"7-Chloro-1,3-dihydroxy-10H-acridin-9-one","","","","","","","","","","","","","","","","","","","","7-Chloro-1,3-dihydroxy-9(10H)-acridone","","C1=CC2=C(C=C1Cl)C(=O)C3=C(N2)C=C(C=C3O)O","GQJBYJGKXPJLJL-UHFFFAOYSA-N","5468056",NA,"PDBC29112","663407","Present"
-"7-Chloro-1,6,8-trimethylchromeno[2,3-b]pyridine-2,5-dione","","","","","","","","","","","","","","","","","","","","7-Chloro-1,6,8-trimethylchromeno[2,3-b]pyridine-2,5-dione","","CC1=CC2=C(C(=C1Cl)C)C(=O)C3=C(O2)N(C(=O)C=C3)C","SXASFSYODVHONK-UHFFFAOYSA-N","355177",NA,"PDBC29113","608363","Present"
-"7-Chloro-1-(chloromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine","","","","","","","","","","","","","","","","","","","","7-Chloro-1-(chloromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine","","C1C2=NN=C(N2C3=C(S1)C=C(C=C3)Cl)CCl","ZCEHQPCOWBPKIC-UHFFFAOYSA-N","358192",NA,"PDBC29114","618069","Present"
-"7-Chloro-1-methyl-phenothiazone","","","","","","","","","","","","","","","","","","","","7-Chloro-1-methyl-phenothiazone","","CC1=CC(=O)C=C2C1=NC3=C(S2)C=C(C=C3)Cl","VNTZUMCHJBZCGI-UHFFFAOYSA-N","369386",NA,"PDBC29115","641150","Present"
-"7-Chloro-11-(cyclopentylamino)-1,11a-dihydro-5H-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-5-one","","","","","","","","","","","","","","","","","","","","8-Chloro-4-cyclopentylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-10-one","","C1CCC(C1)N=C2C3CSCN3C(=O)C4=C(N2)C=CC(=C4)Cl","CXBYHRDJETXNJO-UHFFFAOYSA-N","135450445",NA,"PDBC29116","683495","Present"
-"7-Chloro-13,13a-dihydro-9H-[1,2,4]oxadiazolo[4,3-a][1,3]thiazolo[4,3-c][1,4]benzodiazepine-3,9-dione","","","","","","","","","","","","","","","","","","","","15-Chloro-4-oxa-9-thia-2,5,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),5,14,16-tetraene-3,12-dione","","C1C2C3=NOC(=O)N3C4=C(C=C(C=C4)Cl)C(=O)N2CS1","FUZDMGFZNWZZSV-UHFFFAOYSA-N","388514",NA,"PDBC29117","683498","Present"
-"7-Chloro-13,13a-dihydro-9H-[1,3]thiazolo[4,3-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepin-9-one","","","","","","","","","","","","","","","","","","","","15-Chloro-9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-12-one","","C1C2C3=NN=CN3C4=C(C=C(C=C4)Cl)C(=O)N2CS1","LKTXMUHEQSSFEG-UHFFFAOYSA-N","388513",NA,"PDBC29118","683497","Present"
-"7-Chloro-13,14-dimethoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol","","","","","","","","","","","","","","","","","","","","7-Chloro-13,14-dimethoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol","","COC1=C(C=C2C(=C1)N=C3N2C(C4=C(S3)N=C(N=C4Cl)SC)O)OC","CIMWSANVOPMHKO-UHFFFAOYSA-N","394385",NA,"PDBC29119","697785","Present"
-"7-Chloro-2,6-di-(1-piperidyl)naphthazarin","","","","","","","","","","","","","","","","","","","","7-Chloro-2,6-di-(1-piperidyl)naphthazarin","","C1CCN(C1)C2=CC(=O)C3=C(C2=O)C(=C(C(=C3O)N4CCCC4)Cl)O","VDGWKBSOUOPFKF-UHFFFAOYSA-N","378621",NA,"PDBC29120","661414","Present"
-"7-Chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","7-chloro-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-chro...","","C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=C(O3)C=C(C=C4)Cl","JBYYCADPMPVKLO-UHFFFAOYSA-N","740710",NA,"PDBC29121","757187","Present"
-"7-Chloro-2-(3-chloroanilino)pyrano[3,4-e][1,3]oxazine-4,5-dione","","","","","","","","","","","","","","","","","","","","7-Chloro-2-(3-chloroanilino)pyrano[3,4-e][1,3]oxazine-4,5-dione","","C1=CC(=CC(=C1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl","YBBCXMKGFBMRLJ-UHFFFAOYSA-N","332174",NA,"PDBC29122","328111","Present"
-"7-Chloro-2-(methylamino)-3H-1,4-benzodiazepin-5-yl di(4-morpholinyl)phosphinate","","","","","","","","","","","","","","","","","","","","7-Chloro-2-(methylamino)-3H-1,4-benzodiazepin-5-yl di(4-morpholinyl)phosphinate","","CN=C1CN=C(C2=C(N1)C=CC(=C2)Cl)OP(=O)(N3CCOCC3)N4CCOCC4","LJICIVONMGJXQV-UHFFFAOYSA-N","135429884",NA,"PDBC29123","288016","Present"
-"7-Chloro-2-(thien-2-yl)carbonyl-3-trifluoromethylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-Chloro-2-(thien-2-yl)carbonyl-3-trifluoromethylquinoxa...","","C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)Cl)[O-])C(F)(F)F","DTAURENBPDRJRX-UHFFFAOYSA-N","23635526",NA,"PDBC29124","728084","Present"
-"7-Chloro-2-(thien-2-ylcarbonyl)3-trifluoromethylquinoxaline-4-oxide","","","","","","","","","","","","","","","","","","","","7-chloro-2-(thien-2-ylcarbonyl)3-trifluoromethylquinoxal...","","C1=CSC(=C1)C(=O)C2=NC3=C(C=CC(=C3)Cl)[N+](=C2C(F)(F)F)[O-]","DWVYQZGSKPJCIK-UHFFFAOYSA-N","46888071",NA,"PDBC29125","740111","Present"
-"7-Chloro-2-cyclohexyl-4[3H]quinazolinone","","","","","","","","","","","","","","","","","","","","OASZMKFGOOQRNQ-UHFFFAOYSA-N","","C1CCC(CC1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2","OASZMKFGOOQRNQ-UHFFFAOYSA-N","135484981",NA,"PDBC29126","626524","Present"
-"7-Chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione","","","","","","","","","","","","","","","","","","","","7-Chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione","","C1C(SC2=C(C=C(C=C2)Cl)NC1=S)C3=CC=CC=C3","WYMZGMUKKHWDQH-UHFFFAOYSA-N","3005001",NA,"PDBC29127","667460","Present"
-"7-Chloro-2-phenylquinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","AS-43110","","C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2","DWSBXSUAJILPPH-UHFFFAOYSA-N","135431223",NA,"PDBC29128","627406","Present"
-"7-Chloro-2-phenylquinolin-4-ol","","","","","","","","","","","","","","","","","","","","KUC100227","","C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)Cl","XQOKFGZSHRSHMK-UHFFFAOYSA-N","371056",NA,"PDBC29129","644949","Present"
-"7-Chloro-2-piperazin-1-ylpyrano[3,4-e][1,3]oxazine-4,5-dione","","","","","","","","","","","","","","","","","","","","7-Chloro-2-piperazin-1-yl-pyrano[3,4-e][1,3]oxazine-4,5-dione","","C1CN(CCN1)C2=NC(=O)C3=C(O2)C=C(OC3=O)Cl","KGEBJQUIGXMOMM-UHFFFAOYSA-N","396375",NA,"PDBC29130","702324","Present"
-"7-Chloro-3-((((4-chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-4-oxo-1,4-dihydroquinoline","","","","","","","","","","","","","","","","","","","","7-Chloro-3-((((4-chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-4-oxo-1,4-dihydroquinoline","","CN1C=C(C(=O)C2=C1C=C(C=C2)Cl)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl","FBELQBFFMCNOFE-UHFFFAOYSA-N","382409",NA,"PDBC29131","669970","Present"
-"7-Chloro-3-(4-(hydroxy(oxido)amino)phenyl)-6-methyl-2,1,4-benzoxathiazine 1,1-dioxide","","","","","","","","","","","","","","","","","","","","7-Chloro-6-methyl-3-(4-nitrophenyl)-2,1,4-benzoxathiazine 1,1-dioxide","","CC1=CC2=C(C=C1Cl)S(=O)(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]","FXPROPLOHFMILP-UHFFFAOYSA-N","384054",NA,"PDBC29132","673179","Present"
-"7-Chloro-3-(4-fluoroanilino)-1,4-dioxidoquinoxaline-1,4-diium-2-carbonitrile","","","","","","","","","","","","","","","","","","","","(3e)-7-Chloro-3-[(4-fluorophenyl)imino]-4-hydroxy-3,4-dihydroquinoxaline-2-carbonitrile 1-oxide","","C1=CC(=CC=C1NC2=[N+](C3=C(C=C(C=C3)Cl)[N+](=C2C#N)[O-])[O-])F","JQHXIQHHIYWEST-UHFFFAOYSA-N","135426810",NA,"PDBC29133","719372","Present"
-"7-Chloro-3-(4-fluorophenyl)-5-methylthiazolo[4,5-d]pyrimidin e-2(3H)-thione","","","","","","","","","","","","","","","","","","","","7-chloro-3-(4-fluorophenyl)-5-methylthiazolo[4,5-d]pyrim...","","CC1=NC2=C(C(=N1)Cl)SC(=S)N2C3=CC=C(C=C3)F","ORJIZGBRRHFQMY-UHFFFAOYSA-N","405159",NA,"PDBC29134","722196","Present"
-"7-Chloro-3-(4-methylanilino)-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile","","","","","","","","","","","","","","","","","","","","(3e)-7-Chloro-4-hydroxy-1-oxido-3-(p-tolylimino)quinoxalin-1-ium-2-carbonitrile","","CC1=CC=C(C=C1)NC2=[N+](C3=C(C=C(C=C3)Cl)[N+](=C2C#N)[O-])[O-]","UZTJBKDVRMJPGC-UHFFFAOYSA-N","135457335",NA,"PDBC29135","693867","Present"
-"7-Chloro-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4-one","","","","","","","","","","","","","","","","","","","","7-Chloro-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-quinazolin-4-one","","CCC1=NN=C(S1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C","XQYXBFXXUYLVNC-UHFFFAOYSA-N","399244",NA,"PDBC29136","709917","Present"
-"7-Chloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one","","","","","","","","","","","","","","","","","","","","7-Chloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one","","C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=CC=C3Cl)O)[N+](=O)[O-]","CXQRWEIMEOMBCI-UHFFFAOYSA-N","3755584",NA,"PDBC29137","117188","Present"
-"7-Chloro-3-[3-(dimethylamino)propylamino]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Chloro-3-[3-(dimethylamino)propylamino]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile","","CN(C)CCCNC1=[N+](C2=C(C=C(C=C2)Cl)[N+](=C1C#N)[O-])[O-]","PPFOYMPJVKBSSS-UHFFFAOYSA-N","135418452",NA,"PDBC29138","689727","Present"
-"7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile","","C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C4=C([N+]3=O)C=CC(=C4)Cl)[O-])C#N","KOWDAYQKISBTQV-UHFFFAOYSA-N","390734",NA,"PDBC29139","688493","Present"
-"7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile","","C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(C=C(C=C4)Cl)N=C3C#N","LVMRJHSZXZHQMG-UHFFFAOYSA-N","395035",NA,"PDBC29140","699219","Present"
-"7-Chloro-3-methyl-2-phenyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","7-Chloro-3-methyl-2-phenylquinolin-4(1H)-one","","CC1=C(NC2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3","KGJFHFHVLMPARI-UHFFFAOYSA-N","382086",NA,"PDBC29141","669445","Present"
-"7-Chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","MB05892","","C1=CC2=C(C=C1Cl)N=C(C(=O)N2)C(=O)O","MBMPVNKCWNUXHU-UHFFFAOYSA-N","387924",NA,"PDBC29142","682229","Present"
-"7-Chloro-3-phenyl-5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione","","","","","","","","","","","","","","","","","","","","7-chloro-3-phenyl-5-(pyridin-3-yl)-thiazolo[4,5-d]pyrimi...","","C1=CC=C(C=C1)N2C3=C(C(=NC(=N3)C4=CN=CC=C4)Cl)SC2=S","WGCGHPNOMDXPGG-UHFFFAOYSA-N","155810145",NA,"PDBC29143","781113","Present"
-"7-Chloro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-chloro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=C(C=C4)Cl)[O-])C(F)(F)F","VHQVBTBBIBMMJF-UHFFFAOYSA-N","23635410",NA,"PDBC29144","736433","Present"
-"7-Chloro-3a-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","","","","","","","","","","","","","","","","","","","7-Chloro-3a-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one","","C1CC2(NC3=C(N2C1=O)C=C(C=C3)Cl)C4=CC=CC=C4","KARPGHBSCMSNLT-UHFFFAOYSA-N","368714",NA,"PDBC29145","639851","Present"
-"7-Chloro-4-(4,4-d] pyrimidine-1-yl)-Quinoline","","","","","","","","","","","","","","","","","","","","7-Chloro -4- ( 4,6-dimethyl thio- pyrazolo [3,4-d] pyrim...","","CSC1=NC(=NC2=C1C=NN2C3=C4C=CC(=CC4=NC=C3)Cl)SC","HQUNKQKSRZLCBU-UHFFFAOYSA-N","24203467",NA,"PDBC29146","728188","Present"
-"7-Chloro-4-(hydroxyamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","","","","","","","","","","","","","","","","","","","7-Chloro-4-(hydroxyamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","C1C2C(=NC3=C(C=CC(=C3)Cl)C(=S)N2CS1)NO","OTVDFGXYQQCOJW-UHFFFAOYSA-N","3005216",NA,"PDBC29147","683500","Present"
-"7-Chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-3, phosphate (1:2), dihydrate","","","","","","","","","","","","","","","","","","","","7-CHLORO-4-[[4-(DIETHYLAMINO)-1-METHYLBUTYL]AMINO]-3,6-D...","","CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1C)Cl)C.OP(=O)(O)O","PYUFLHKGGDXGJZ-UHFFFAOYSA-N","54601722",NA,"PDBC29148","355","Present"
-"7-Chloro-4-hydroxy-10,11-dimethoxy-4-(2-oxopropyl)-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one","","","","","","","","","","","","","","","","","","","","7-Chloro-4-hydroxy-10,11-dimethoxy-4-(2-oxopropyl)-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one","","CC(=O)CC1(C2=CC(=NC3=C2C(=CC(=C3OC)OC)NC1=O)Cl)O","BOJWAVXWRPVRMJ-UHFFFAOYSA-N","397795",NA,"PDBC29149","706233","Present"
-"7-Chloro-4-hydroxy-10,11-dimethoxy-4-phenacyl-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one","","","","","","","","","","","","","","","","","","","","7-Chloro-4-hydroxy-10,11-dimethoxy-4-phenacyl-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one","","COC1=C(C2=C3C(=CC(=N2)Cl)C(C(=O)NC3=C1)(CC(=O)C4=CC=CC=C4)O)OC","OJXPOFORGKOUPG-UHFFFAOYSA-N","397796",NA,"PDBC29150","706234","Present"
-"7-Chloro-4-methyl-5-[[1,1-bis(hydroxymethyl)ethyl]amino]pyrimido[4,5-b]quinolin-2-ol","","","","","","","","","","","","","","","","","","","","7-Chloro-5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimido[4,5-b]quinolin-2(3H)-one","","CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)NC(C)(CO)CO","ICDIHYFFLIAXRI-UHFFFAOYSA-N","381003",NA,"PDBC29151","666980","Present"
-"7-Chloro-4-methyl-5-[[2-[(2-hydroxyethyl)amino]ethyl]amino]pyrimido[4,5-b]quinolin-2-ol","","","","","","","","","","","","","","","","","","","","7-Chloro-5-({2-[(2-hydroxyethyl)amino]ethyl}amino)-4-methylpyrimido[4,5-b]quinolin-2(3H)-one","","CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)NCCNCCO","SLKCWKBBDDVNSH-UHFFFAOYSA-N","382104",NA,"PDBC29152","669468","Present"
-"7-Chloro-4-methyl-5-[bis(2-hydroxyethyl)amino]pyrimido[4,5-b]quinolin-2-ol","","","","","","","","","","","","","","","","","","","","5-[Bis(2-hydroxyethyl)amino]-7-chloro-4-methylpyrimido[4,5-b]quinolin-2(3H)-one","","CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)N(CCO)CCO","GZQLDKSXDHRMRM-UHFFFAOYSA-N","382105",NA,"PDBC29153","669469","Present"
-"7-Chloro-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-one","","","","","","","","","","","","","","","","","","","","7-Chloro-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-one","","C1C2=C(C=CC(=N2)Cl)NC(=O)CN1C3=CC=CC=C3","UIMFDGQHKCEHDZ-UHFFFAOYSA-N","389481",NA,"PDBC29154","685702","Present"
-"7-Chloro-5-((2-(2-(diethylamino)ethyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","7-Chloro-5-[2-[2-[2-(diethylamino)ethyl]piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CCN(CC)CCC1CCCCN1CC(=O)N2C(CC(=O)NC3=C2C=C(C=C3)Cl)C","LVUSWLJQTCCSJM-UHFFFAOYSA-N","379650",NA,"PDBC29155","664527","Present"
-"7-Chloro-5-((3-(dimethylamino)propyl)amino)-4-methyl-5,10-dihydropyrimido[4,5-b]quinolin-2-ol","","","","","","","","","","","","","","","","","","","","7-Chloro-5-((3-(dimethylamino)propyl)amino)-4-methyl-5,10-dihydropyrimido[4,5-b]quinolin-2-ol","","CC1=C2C(C3=C(C=CC(=C3)Cl)NC2=NC(=O)N1)NCCCN(C)C","ACJQTXHGUPKZIV-UHFFFAOYSA-N","375425",NA,"PDBC29156","655145","Present"
-"7-Chloro-5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","7-Chloro-5-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C(CC(=O)NC3=C2C=C(C=C3)Cl)C","CIPZVIFEBZVKQB-UHFFFAOYSA-N","372555",NA,"PDBC29157","647772","Present"
-"7-Chloro-5-((4-(4-(dimethylamino)butyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","7-Chloro-5-[2-[4-[4-(dimethylamino)butyl]piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one","","CC1CC(=O)NC2=C(N1C(=O)CN3CCC(CC3)CCCCN(C)C)C=C(C=C2)Cl","VIDKORWVZTYDMJ-UHFFFAOYSA-N","372554",NA,"PDBC29158","647771","Present"
-"7-Chloro-5-hydroxy-2,4-dimethyl-1-(2-methyl-1,3-dioxolan-2-yl)benzo[e][1]benzofuran-6,9-dione","","","","","","","","","","","","","","","","","","","","7-Chloro-5-hydroxy-2,4-dimethyl-1-(2-methyl-1,3-dioxolan-2-yl)benzo[e][1]benzofuran-6,9-dione","","CC1=C(C2=C(C(=O)C=C(C2=O)Cl)C3=C1OC(=C3C4(OCCO4)C)C)O","XMNXAWUNRUTKRX-UHFFFAOYSA-N","359529",NA,"PDBC29159","620512","Present"
-"7-Chloro-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol","","","","","","","","","","","","","","","","","","","","7-Chloro-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol","","CSC1=NC2=C(C(N3C4=CC=CC=C4N=C3S2)O)C(=N1)Cl","JBGVBUGXIHKCBF-UHFFFAOYSA-N","394382",NA,"PDBC29160","697782","Present"
-"7-Chloro-5H-[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]indole","","","","","","","","","","","","","","","","","","","","7-Chloro-5H-[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]indole","","C1=CC2=C(C=C1Cl)NC3=C2N=C4N3C=CS4","QVCVVOVEWGTVAE-UHFFFAOYSA-N","371575",NA,"PDBC29161","645903","Present"
-"7-Chloro-6-(2-fluoroethylamino)quinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","7-Chloro-6-N-(2-fluoroethylamino)-5,8-quinolinedione","","C1=CC2=C(C(=O)C(=C(C2=O)NCCF)Cl)N=C1","VHFIMKUFLLZCDS-UHFFFAOYSA-N","379079",NA,"PDBC29162","663286","Present"
-"7-Chloro-6-(2-morpholin-4-ylethylamino)quinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","6-N-(Aminoethyl-2-(4-morpholino))-6-chloro-5,8-quinoline...","","C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl","LGTBDMBBPVNDSZ-UHFFFAOYSA-N","379078",NA,"PDBC29163","663285","Present"
-"7-Chloro-6-(dimethylamino)-2-phenylpyrano[3,2-g][1,3]benzothiazol-8-one","","","","","","","","","","","","","","","","","","","","7-Chloro-6-(dimethylamino)-2-phenylpyrano[3,2-g][1,3]benzothiazol-8-one","","CN(C)C1=C(C(=O)OC2=C1C=CC3=C2SC(=N3)C4=CC=CC=C4)Cl","POMFUZJCZBRCNH-UHFFFAOYSA-N","337835",NA,"PDBC29164","357581","Present"
-"7-Chloro-6-N-(4-(2'-pyridyl)piperazino)-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","7-Chloro-6-N-(4-(2'-pyridyl)piperazino)-5,8-quinolinedione","","C1CN(CCN1C2=CC=CC=N2)C3=C(C(=O)C4=C(C3=O)C=CC=N4)Cl","YFIRLCDIKBWLFV-UHFFFAOYSA-N","379080",NA,"PDBC29165","663287","Present"
-"7-Chloro-6-N-(4-hexoxyanilino)-5,8-quinolinedione","","","","","","","","","","","","","","","","","","","","7-Chloro-6-N-(4-hexoxyanilino)-5,8-quinolinedione","","CCCCCCOC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl","OBXPDDANRCWKQT-UHFFFAOYSA-N","379076",NA,"PDBC29166","663283","Present"
-"7-Chloro-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]quinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","7-Chloro-6-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}quinoline-5,8-dione","","C1CN(CCN1CCOCCO)C2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl","NDHDOMHKTGITBG-UHFFFAOYSA-N","378910",NA,"PDBC29167","662381","Present"
-"7-Chloro-6-methoxyquinoline-5,8-dione","","","","","","","","","","","","","","","","","","","","7-Chloro-6-methoxyquinoline-5,8-dione","","COC1=C(C(=O)C2=C(C1=O)C=CC=N2)Cl","YAHHUAWLRNXMJC-UHFFFAOYSA-N","255470",NA,"PDBC29168","81048","Present"
-"7-Chloro-6-piperazino-5,8-quinolinedione HCl","","","","","","","","","","","","","","","","","","","","7-Chloro-6-piperazino-5,8-quinolinedione HCl","","C1CN(CCN1)C2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl.Cl","AFVWXEXPEYQRQE-UHFFFAOYSA-N","378913",NA,"PDBC29169","662384","Present"
-"7-Chloro-9-[[3-(dipentylamino)propyl]amino]-1,3,4-tetrahydroacridine, phosphate (3:2)","","","","","","","","","","","","","","","","","","","","7-CHLORO-9-[[3-(DIPENTYLAMINO)PROPYL]AMINO]-1,2,3,4-TETR...","","CCCCCN(CCCCC)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl.OP(=O)(O)O","NSMUFRYYCJQJCM-UHFFFAOYSA-N","54599265",NA,"PDBC29170","384","Present"
-"7-Chloro-9-thioxo-13,13a-dihydro-9H-[1,2,4]oxadiazolo[4,3-a][1,3]thiazolo[4,3-c][1,4]benzodiazepin-3-one","","","","","","","","","","","","","","","","","","","","15-Chloro-12-sulfanylidene-4-oxa-9-thia-2,5,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),5,14,16-tetraen-3-one","","C1C2C3=NOC(=O)N3C4=C(C=C(C=C4)Cl)C(=S)N2CS1","ZOGUITUFUCGBOY-UHFFFAOYSA-N","388520",NA,"PDBC29171","683504","Present"
-"7-Chloro-N,3-dimethyl-5-phenyl-1,3,4-benzotriazepin-2-amine","","","","","","","","","","","","","","","","","","","","7-Chloro-N,3-dimethyl-5-phenyl-1,3,4-benzotriazepin-2-amine","","CN=C1NC2=C(C=C(C=C2)Cl)C(=NN1C)C3=CC=CC=C3","OJTDIBCKEJZOMW-UHFFFAOYSA-N","135503447",NA,"PDBC29172","633211","Present"
-"7-Chloro-N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-Chloro-N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide 1,4-dioxide","","CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)NCCO","GAUDGJISWUXODW-UHFFFAOYSA-N","365224",NA,"PDBC29173","632549","Present"
-"7-Chloro-N-(4-ethoxyphenyl)quinolin-4-amine","","","","","","","","","","","","","","","","","","","","NSC766790","","CCOC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl","RDBXCICTXSDJIF-UHFFFAOYSA-N","711950",NA,"PDBC29174","766790","Present"
-"7-Chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","7-Chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=C(C=CC3=N2)Cl.Cl","PTBHXCSBYFHADS-UHFFFAOYSA-N","358156",NA,"PDBC29175","617979","Present"
-"7-Chloro-N-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","7-chloro-N-(2-(4-(2-(pyrrolidin-1-yl)pyrimidin-4-yl)pipe...","","C1CCN(C1)C2=NC=CC(=N2)N3CCN(CC3)CCNC4=C5C=CC(=CC5=NC=C4)Cl","ZDDVUJHMTWPONQ-UHFFFAOYSA-N","71736922",NA,"PDBC29176","782757","Present"
-"7-Chloro-N-[4-(3-phenyloxaziridin-2-yl)butyl]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","4-Quinolinamine, 7-chloro-N-[4-(3-phenyloxaziridinyl) bu...","","C1=CC=C(C=C1)C2N(O2)CCCCNC3=C4C=CC(=CC4=NC=C3)Cl","MMUAXWUXILQCRK-UHFFFAOYSA-N","380063",NA,"PDBC29177","665364","Present"
-"7-Chloro-N-[4-[2-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenyl]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","7-chloro-N-(4-(2-morpholino-6-(3,4,5-trimethoxyphenyl)py...","","COC1=CC(=CC(=C1OC)OC)C2=NC(=NC(=C2)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)N6CCOCC6","OQFXPWSMEIBFFE-UHFFFAOYSA-N","155814943",NA,"PDBC29178","790653","Present"
-"7-Chloro-n-(1-ethylpiperidin-4-yl)quinolin-4-amine","","","","","","","","","","","","","","","","","","","","NSC13248","","CCN1CCC(CC1)NC2=C3C=CC(=CC3=NC=C2)Cl","IZTXOLYDQAZEMI-UHFFFAOYSA-N","224612",NA,"PDBC29179","13248","Present"
-"7-Chloro-n-[4-(piperidin-1-yl)cyclohexyl]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","7-Chloro-n-[4-(piperidin-1-yl)cyclohexyl]quinolin-4-amine","","C1CCN(CC1)C2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl","SVJCZPVZDHLIEP-UHFFFAOYSA-N","245078",NA,"PDBC29180","56624","Present"
-"7-Chlorobenzo[c]quinolizin-11-ium-6-amine;chloride","","","","","","","","","","","","","","","","","","","","NSC679795","","C1=CC=[N+]2C3=C(C(=CC=C3)Cl)C(=CC2=C1)N.[Cl-]","WBTSCZKBNPYPLE-UHFFFAOYSA-N","386892",NA,"PDBC29181","679795","Present"
-"7-Chlorobenzo[c]quinolizin-11-ium-6-ol;chloride","","","","","","","","","","","","","","","","","","","","NSC679797","","C1=CC=[N+]2C3=C(C(=CC=C3)Cl)C(=CC2=C1)O.[Cl-]","KFVLESKBDQIWCZ-UHFFFAOYSA-N","386896",NA,"PDBC29182","679797","Present"
-"7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glycinate ester hydrochloride","","","","","","","","","","","","","","","","","","","","7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin-2...","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)CCl)OC(=O)CN","LBROZKPMBVXJJK-DEOSSOPVSA-N","486157",NA,"PDBC29183","688687","Present"
-"7-Chloromethyl-10,11-methylenedioxycamptothecin","","","","","","","","","","","","","","","","","","","","7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)CCl)O","FGIXZILUSHAOJP-QFIPXVFZSA-N","468670",NA,"PDBC29184","671901","Present"
-"7-Chloroquinolin-8-ol","","","","","","","","","","","","","","","","","","","","K9AEQ8892Y","","C1=CC2=C(C(=C(C=C2)Cl)O)N=C1","RMJFNYXBFISIET-UHFFFAOYSA-N","24691",NA,"PDBC29185","673451","Present"
-"7-Con-O-methylnogarol","","","","","","","","","","","","","","","","","","","","MENOGARIL","","CC1(CC(C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)OC)O","LWYJUZBXGAFFLP-KIWNRLSNSA-N","3001029",NA,"PDBC29186","269148","Present"
-"7-Cyano-2-((diisopropylamino)carbonyl)-1-cubanecarboxylic acid","","","","","","","","","","","","","","","","","","","","7-Cyano-2-((diisopropylamino)carbonyl)-1-cubanecarboxylic acid","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4(C3C25C(=O)O)C#N","RNMJLDBYHNJYLB-UHFFFAOYSA-N","369210",NA,"PDBC29187","640916","Present"
-"7-Cyano-3-(p-chlorophenyl)hydrazo-2-oxo pyrazolo[1,5-a]imidazole","","","","","","","","","","","","","","","","","","","","7-Cyano-3-(p-chlorophenyl)hydrazo-2-oxo pyrazolo[1,5-a]i...","","C1=CC(=CC=C1N=NC2=C(N=C3N2NC=C3C#N)O)Cl","YPMNFWUNROXZJC-UHFFFAOYSA-N","406443",NA,"PDBC29188","724517","Present"
-"7-Deacetoxy-7-hydroxygedunin","","","","","","","","","","","","","","","","","","","","GEDUNIN DEACETYL-","","CC1(C2CC(C3(C(C2(C=CC1=O)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)O)C","HCEYJYMNIQHPPK-UHFFFAOYSA-N","1885",NA,"PDBC29189","309912","Present"
-"7-Deoxydaunomycinone sulfonic acid plus inorganic salts, mainly sodium sulfate","","","","","","","","","","","","","","","","","","","","7-Deoxydaunomycinone sulfonic acid plus inorganic salts,...","","CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)S(=O)(=O)O)O","ZKBYWMRIHIDIJE-FHQWGVRCSA-N","6711911",NA,"PDBC29190","646128","Present"
-"7-Deoxynogalarol","","","","","","","","","","","","","","","","","","","","u 27744","","CC1(CCC2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)O","LIUWFJINGKUEER-UHFFFAOYSA-N","151719",NA,"PDBC29191","114345","Present"
-"7-Dihydrobenfluron","","","","","","","","","","","","","","","","","","","","7-Dihydrobenfluron","","CN(C)CCOC1=CC2=C(C3=CC=CC=C3C2O)C4=CC=CC=C41","AMLZJBJUPQPFNG-UHFFFAOYSA-N","128534",NA,"PDBC29192","625256","Present"
-"7-Diisopropoxyphosphoryl-3,6-dimethyl-pyrrolo[2,1-b]thiazole","","","","","","","","","","","","","","","","","","","","7-Diisopropoxyphosphoryl-3,6-dimethyl-pyrrolo[2,1-b]thiazole","","CC1=CN2C(=CSC2=C1P(=O)(OC(C)C)OC(C)C)C","TWWOLLMNFVRBCW-UHFFFAOYSA-N","387535",NA,"PDBC29193","681445","Present"
-"7-Diisopropoxyphosphoryl-3-methyl-6-phenyl-pyrrolo[2,1-b]thiazole","","","","","","","","","","","","","","","","","","","","7-Diisopropoxyphosphoryl-3-methyl-6-phenyl-pyrrolo[2,1-b]thiazole","","CC1=CSC2=C(C(=CN12)C3=CC=CC=C3)P(=O)(OC(C)C)OC(C)C","LEWFPIWHFSAZIZ-UHFFFAOYSA-N","387536",NA,"PDBC29194","681446","Present"
-"7-Epi-10-deacetylbaccatin III","","","","","","","","","","","","","","","","","","","","7-Epi-10-deacetylbaccatin III","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","YWLXLRUDGLRYDR-NPFWFQCCSA-N","6712096",NA,"PDBC29195","656178","Present"
-"7-Epi-10-deacetyltaxol","","","","","","","","","","","","","","","","","","","","7-Epi-10-deacetyltaxol","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O","TYLVGQKNNUHXIP-WHQJTFKHSA-N","6712095",NA,"PDBC29196","656177","Present"
-"7-Epi-3,4-bis-nor-dolastatin 11","","","","","","","","","","","","","","","","","","","","7-epi-3,4-bis-nor-dolastatin 11","","CCC(C)C1C(=O)NCC(=O)N(C(C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)C(C(=O)NC(C(=O)NCCC(=O)O1)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C","UNKPTWGELDRDDE-VAAZOVBASA-N","396354",NA,"PDBC29197","702158","Present"
-"7-Epiclusianone","","","","","","","","","","","","","","","","","","","","7-epiclusianone","","CC(=CCC1CC2(C(=O)C(=C(C3=CC=CC=C3)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC=C(C)C)C","KLFBRRJTELLZLW-RMKGZORESA-N","5471610",NA,"PDBC29198","711978","Present"
-"7-Ethoxy-3,8-dimethoxy-5-[2-(methylamino)ethyl]phenanthren-4-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","7-Ethoxy-3,8-dimethoxy-5-[2-(methylamino)ethyl]phenanthren-4-ol;hydrochloride","","CCOC1=C(C2=C(C(=C1)CCNC)C3=C(C=C2)C=CC(=C3O)OC)OC.Cl","BCVSJXPGGAAKRZ-UHFFFAOYSA-N","356181",NA,"PDBC29199","611264","Present"
-"7-Ethoxy-4-methylcoumarin","","","","","","","","","","","","","","","","","","","","4-Methyl-7-ethoxycoumarin","","CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C","NKRISXMDKXBVRJ-UHFFFAOYSA-N","66595",NA,"PDBC29200","60561","Present"
-"7-Ethoxy-5-methoxy-2-methyl-6-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]iminomethyl]chromen-4-one","","","","","","","","","","","","","","","","","","","","7-Ethoxy-5-methoxy-2-methyl-6-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]iminomethyl]chromen-4-one","","CCOC1=C(C(=C2C(=C1)OC(=CC2=O)C)OC)C=NC3=CC=C(C=C3)CN4C(=NC5=CC=CC=C54)C","MIKJXQHIAWDYKG-UHFFFAOYSA-N","396638",NA,"PDBC29201","703137","Present"
-"7-Ethyl 9-methyl 8-(3-(hydroxy(oxido)amino)phenyl)-6,9a-dimethyl-3,4,9,9a-tetrahydro-2H,8H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate","","","","","","","","","","","","","","","","","","","","7-O-Ethyl 9-O-methyl 6,9a-dimethyl-8-(3-nitrophenyl)-3,4,8,9-tetrahydro-2H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate","","CCOC(=O)C1=C(N2CCCOC2(C(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C)C","VYJIGLZLCDRKOF-UHFFFAOYSA-N","375833",NA,"PDBC29202","656081","Present"
-"7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glycinate ester hydrochloride","","","","","","","","","","","","","","","","","","","","7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glyci...","","CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)OC(=O)CN)C2=NC5=CC6=C(C=C51)OCO6","CTABHWFOOATDCN-VWLOTQADSA-N","155814754",NA,"PDBC29203","676194","Present"
-"7-Ethyl-10,11-methylenedioxy-20-S-camptothecin","","","","","","","","","","","","","","","","","","","","7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin","","CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC6=C(C=C51)OCO6","VPGWXOVUCCDEPV-QHCPKHFHSA-N","123614",NA,"PDBC29204","673592","Present"
-"7-Ethyl-4-hydroxy-3-methoxy-2,2-dimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","","","","","","","","","","","","","","","","","","","7-Ethyl-4-hydroxy-3-methoxy-2,2-dimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one","","CCC1=C2C(C(C(=C)C13CC3)O)C(C(C2=O)(C)C)OC","YUCAAPULQCBMIC-UHFFFAOYSA-N","406827",NA,"PDBC29205","725118","Present"
-"7-Ethyl-5-oxa-1-azatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-2,6-dione","","","","","","","","","","","","","","","","","","","","7-Ethyl-5-oxa-1-azatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-2,6-dione","","CCC1C2=C(COC1=O)C(=O)N3CC4=CC=CC=C4C3=C2","KEJHBCDJFVTJSY-UHFFFAOYSA-N","325251",NA,"PDBC29206","293556","Present"
-"7-Ethyl-9-amino-10,11-methylenedioxy-20(S)-camptothecin","","","","","","","","","","","","","","","","","","","","7-Ethyl-9-amino-10,11-methylenedioxy-20(S)-camptothecin","","CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC6=C(C(=C51)N)OCO6","SVBVRHFMDMNEON-QHCPKHFHSA-N","101684193",NA,"PDBC29207","673593","Present"
-"7-Ethyl-9-amino-20(S)-camptothecin","","","","","","","","","","","","","","","","","","","","7-Ethyl-9-amino-20(S)-camptothecin","","CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC=CC(=C51)N","XEZHQWJDQCESCS-QFIPXVFZSA-N","10385778",NA,"PDBC29208","673595","Present"
-"7-Fluoro-2-(2-furoyl)-3-trifluoromethylquioxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-fluoro-2-(2-furoyl)-3-trifluoromethylquioxaline 1,4-di...","","C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)F)[O-])C(F)(F)F","CFVGKMVHLIVURA-UHFFFAOYSA-N","23635646",NA,"PDBC29209","736443","Present"
-"7-Fluoro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-fluoro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxal...","","C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)F)[O-])C(F)(F)F","GLLQQOCPLFPVOE-UHFFFAOYSA-N","23635525",NA,"PDBC29210","736442","Present"
-"7-Fluoro-2-benzoyl-3-trifluoromethylquioxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-fluoro-2-benzoyl-3-trifluoromethylquioxaline 1,4-dioxide","","C1=CC=C(C=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)F)[O-])C(F)(F)F","VXDIWJXVNFQVJJ-UHFFFAOYSA-N","23635154",NA,"PDBC29211","740385","Present"
-"7-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","7-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one","","C1=CC=NC(=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)F","RJACOAGSXQLRII-UHFFFAOYSA-N","372259",NA,"PDBC29212","647315","Present"
-"7-Fluoro-3-(2-fluorophenyl)chromen-4-one","","","","","","","","","","","","","","","","","","","","7-Fluoro-3-(2-fluorophenyl)chromen-4-one","","C1=CC=C(C(=C1)C2=COC3=C(C2=O)C=CC(=C3)F)F","WKZZGYDMBNRMCN-UHFFFAOYSA-N","394829",NA,"PDBC29213","698681","Present"
-"7-Fluoro-3-[(7-fluoro-4-oxo-chromen-3-yl)disulfanyl]chromen-4-one","","","","","","","","","","","","","","","","","","","","7-Fluoro-3-[(7-fluoro-4-oxo-chromen-3-yl)disulfanyl]chromen-4-one","","C1=CC2=C(C=C1F)OC=C(C2=O)SSC3=COC4=C(C3=O)C=CC(=C4)F","HZSCPEOBHAYHPB-UHFFFAOYSA-N","385907",NA,"PDBC29214","677369","Present"
-"7-Fluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-fluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=C(C=C4)F)[O-])C(F)(F)F","SKQQHTSKZMDXTL-UHFFFAOYSA-N","23635287",NA,"PDBC29215","736437","Present"
-"7-Fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline","","","","","","","","","","","","","","","","","","","","7-Fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline","","CN1CCN(CC1)C2=NC3=C(C=CC(=C3)F)N4C2=CC=C4","RYXJSAHVNPQLMV-UHFFFAOYSA-N","376254",NA,"PDBC29216","656962","Present"
-"7-Fluoro-9-methoxy-2,3,4,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","7-Fluoro-9-methoxy-2,3,4,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol;hydrochloride","","COC1=C2C3=C(CC4C5(C3(CCN4)C(O2)C(C=C5)F)O)C=C1.Cl","DCUUZLMNIBYGQB-UHFFFAOYSA-N","398198",NA,"PDBC29217","707801","Present"
-"7-Fluorobenzo[a]pyrene","","","","","","","","","","","","","","","","","","","","LS-40020","","C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC=C5F)C=C2","QLWASAJNCFHPGV-UHFFFAOYSA-N","51336",NA,"PDBC29218","623136","Present"
-"7-Fluorobenzo[b][1,4]benzothiazepin-6-amine","","","","","","","","","","","","","","","","","","","","7-Fluorobenzo[b][1,4]benzothiazepin-6-amine","","C1=CC=C2C(=C1)N=C(C3=C(C=CC=C3S2)F)N","PQWQVZVWCFLQGK-UHFFFAOYSA-N","396646",NA,"PDBC29219","703160","Present"
-"7-Hexan-2-yl-8-hydroxy-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one","","","","","","","","","","","","","","","","","","","","7-(Hexan-2-yl)-8-hydroxy-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2(4aH)-one","","CCCCC(C)C1CCC2(C=CC(=O)C(=C2C1O)C)C","DMQHCLBQGFSHGK-UHFFFAOYSA-N","360734",NA,"PDBC29220","623073","Present"
-"7-Hydroxy-1,9-dimethyl-5,13-dihydroquinolino[2,3-c]acridine-8,14-dione","","","","","","","","","","","","","","","","","","","","7-Hydroxy-1,9-dimethyl-5H,13H-dibenzo[b,j]phenanthroline...","","CC1=C2C(=CC=C1)NC3=CC(=C4C(=C3C2=O)NC5=CC=CC(=C5C4=O)C)O","COKVHPUHRWBQGA-UHFFFAOYSA-N","5465794",NA,"PDBC29221","662140","Present"
-"7-Hydroxy-2,3-dihydro-1H-indolizin-5-one","","","","","","","","","","","","","","","","","","","","1H-Indolizin-5-one, 2,3-dihydro-7-hydroxy","","C1CC2=CC(=CC(=O)N2C1)O","WBGRYVYGUXXQBB-UHFFFAOYSA-N","54680634",NA,"PDBC29222","645089","Present"
-"7-Hydroxy-2,3-dimethylbenzo[g]quinoxaline-5,10-dione","","","","","","","","","","","","","","","","","","","","7-Hydroxy-2,3-dimethylbenzo[g]quinoxaline-5,10-dione","","CC1=C(N=C2C(=N1)C(=O)C3=C(C2=O)C=C(C=C3)O)C","LNNCEWVRJMDXSI-UHFFFAOYSA-N","334271",NA,"PDBC29223","338696","Present"
-"7-Hydroxy-2-(hydroxymethyl)-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,5-dione","","","","","","","","","","","","","","","","","","","","7-Hydroxy-2-(hydroxymethyl)-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,5-dione","","CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=C(C5=C(C(=O)C4=O)N(C(=N5)CO)C)O","OWAZXWGJOWUOCP-UHFFFAOYSA-N","135426679",NA,"PDBC29224","706844","Present"
-"7-Hydroxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","7-Hydroxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide","","C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=C(C=C(C=C4)O)OC3=N","VFSRGJFRQMQJPF-UHFFFAOYSA-N","135426626",NA,"PDBC29225","704407","Present"
-"7-Hydroxy-2-nonylchromen-4-one","","","","","","","","","","","","","","","","","","","","7-Hydroxy-2-nonyl-4H-chromen-4-one","","CCCCCCCCCC1=CC(=O)C2=C(O1)C=C(C=C2)O","LZGSPEQXACEODB-UHFFFAOYSA-N","5375154",NA,"PDBC29226","631965","Present"
-"7-Hydroxy-2-phenyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","7-Hydroxy-2-phenyl-1H-quinolin-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)O","AHVIMHDOWFUQIV-UHFFFAOYSA-N","5466887",NA,"PDBC29227","644948","Present"
-"7-Hydroxy-2a,3,4,5-tetrahydrocyclohepta[cd][1]benzofuran-6(2H)-one","","","","","","","","","","","","","","","","","","","","7-Hydroxy-2a,3,4,5-tetrahydrocyclohepta[cd][1]benzofuran-6(2H)-one","","C1CC2COC3=C2C(=C(C=C3)O)C(=O)C1","ZVQWOUKRMWTTAE-UHFFFAOYSA-N","361614",NA,"PDBC29228","624799","Present"
-"7-Hydroxy-3,3a,4,5-tetrahydrobenzo[de]chromen-6(2H)-one","","","","","","","","","","","","","","","","","","","","7-Hydroxy-3,3a,4,5-tetrahydrobenzo[de]chromen-6(2H)-one","","C1CC(=O)C2=C(C=CC3=C2C1CCO3)O","TZALMNNSFJJQCG-UHFFFAOYSA-N","361613",NA,"PDBC29229","624798","Present"
-"7-Hydroxy-3,4,8b-trimethyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one","","","","","","","","","","","","","","","","","","","","Pyrrolo[2,3-b]indole-2-one, 1,2,3,3a-tetrahydro-5-hydrox...","","CC12CC(=O)N(C1N(C3=C2C=C(C=C3)O)C)C","OUOZACPLMOXOSK-UHFFFAOYSA-N","368806",NA,"PDBC29230","640071","Present"
-"7-Hydroxy-3,4-dimethyl-1H-quinolin-2-one","","","","","","","","","","","","","","","","","","","","2(1H)-Quinolinone, 7-hydroxy-3,4-dimethyl-","","CC1=C(C(=O)NC2=C1C=CC(=C2)O)C","RXBXOOULDWYQMY-UHFFFAOYSA-N","5470367",NA,"PDBC29231","700279","Present"
-"7-Hydroxy-4,6-diiodo-3,3a,7,7a-tetrahydro-2H-thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazol-2-one","","","","","","","","","","","","","","","","","","","","7-Hydroxy-9,11-diiodo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-4-one","","C12C(C3=C(SC(=C3C1O)I)I)NC(=O)O2","SZYJBEJSJAOHDJ-UHFFFAOYSA-N","392083",NA,"PDBC29232","691897","Present"
-"7-Hydroxy-4,8-dimethyl-2H-chromen-2-one","","","","","","","","","","","","","","","","","","","","4,8-dimethylumbelliferone","","CC1=CC(=O)OC2=C1C=CC(=C2C)O","MVMMGVPSTRNMSV-UHFFFAOYSA-N","5356597",NA,"PDBC29233","62131","Present"
-"7-Hydroxy-4-methyl-8-pentanoyl-2H-1-benzopyran-2-one","","","","","","","","","","","","","","","","","","","","7-Hydroxy-4-methyl-8-pentanoyl-2H-1-benzopyran-2-one","","CCCCC(=O)C1=C(C=CC2=C1OC(=O)C=C2C)O","VOOBHYNGKGPJRX-UHFFFAOYSA-N","5355215",NA,"PDBC29234","29117","Present"
-"7-Hydroxy-4-methyl-8-piperidin-1-ylmethyl-chromen-2-one","","","","","","","","","","","","","","","","","","","","ChemDiv3_002431","","CC1=CC(=O)OC2=C1C=CC(=C2CN3CCCCC3)O","DIJMIZCQAHRDQL-UHFFFAOYSA-N","5360358",NA,"PDBC29235","108768","Present"
-"7-Hydroxy-5-methyl-3-phenyl-thiazolo[4,5-d]pyrimidin-2-one hydrazone","","","","","","","","","","","","","","","","","","","","7-Hydroxy-5-methyl-3-phenyl-thiazolo[4,5-d]pyrimidin-2-one hydrazone","","CC1=NC2=C(C(=O)N1)SC(=NN)N2C3=CC=CC=C3","FDBVLTQSLHLNBZ-VBKFSLOCSA-N","135499348",NA,"PDBC29236","653411","Present"
-"7-Hydroxy-6-benzyl-1,2,3-trihydroindolizin-5-one","","","","","","","","","","","","","","","","","","","","1H-Indolizin-5-one, 2,3-dihydro-7-hydroxy-6-benzyl-","","C1CC2=CC(=C(C(=O)N2C1)CC3=CC=CC=C3)O","ORZIYCYODHTTOR-UHFFFAOYSA-N","54687028",NA,"PDBC29237","645428","Present"
-"7-Hydroxy-6-methoxy-1,2-benzoxazin-4-one","","","","","","","","","","","","","","","","","","","","7-Hydroxy-6-methoxy-1,2-(4H)-benzoxazine-4-one","","COC1=C(C=C2C(=C1)C(=O)C=NO2)O","GOEADOVAWDHEBK-UHFFFAOYSA-N","393915",NA,"PDBC29238","696886","Present"
-"7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline","","","","","","","","","","","","","","","","","","","","6NSL0GBQ6T","","COC1=C(C=C2C=NCCC2=C1)O","UQBWYWCIBNWMPI-UHFFFAOYSA-N","363043",NA,"PDBC29239","627589","Present"
-"7-Hydroxy-6-pentanoyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","7-Hydroxy-6-pentanoyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one","","CCCCC(=O)C1=C(N=C2N(C1=O)C=CS2)O","ULQVDWHTPZCPTJ-UHFFFAOYSA-N","135409170",NA,"PDBC29240","663552","Present"
-"7-Hydroxy-8-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid","","","","","","","","","","","","","","","","","","","","7-Hydroxy-8-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid","","CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O)C","MGOSORQIYUOFSQ-UHFFFAOYSA-N","413230",NA,"PDBC29241","45601","Present"
-"7-Hydroxy-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid","","","","","","","","","","","","","","","","","","","","7-Hydroxy-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid","","C1=CC(=CC2=C1C=CC(=C2N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)O)S(=O)(=O)O","MNWZRTYAQWJKPK-UHFFFAOYSA-N","414378",NA,"PDBC29242","58048","Present"
-"7-Hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonic acid","","","","","","","","","","","","","","","","","","","","7-Hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonic acid","","C1=CC2=C(C(=C1)S(=O)(=O)O)C(=C(C=C2)O)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5=C(C=CC6=C5C(=CC=C6)S(=O)(=O)O)O","XQDXOBGAFYLUDL-UHFFFAOYSA-N","223984",NA,"PDBC29243","12129","Present"
-"7-Hydroxy-DL-tryptophan","","","","","","","","","","","","","","","","","","","","7-Hydroxy-tryptophan","","C1=CC2=C(C(=C1)O)NC=C2CC(C(=O)O)N","VQSRKJZICBNQJG-UHFFFAOYSA-N","2763071",NA,"PDBC29244","740813","Present"
-"7-Hydroxy-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-3-methyl-4-oxo-4H-chromene-2-carboxamide","","","","","","","","","","","","","","","","","","","","7-Hydroxy-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-3-methyl-4-oxo-4H-chromene-2-carboxamide","","CC1=C(OC2=C(C1=O)C=CC(=C2)O)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]","DOVKYDWWMKJBQG-UHFFFAOYSA-N","5465232",NA,"PDBC29245","642058","Present"
-"7-Hydroxychlorpromazine","","","","","","","","","","","","","","","","","","","","7-ocpz","","CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl","HICFFJZGXWEIHN-UHFFFAOYSA-N","16414",NA,"PDBC29246","131053","Present"
-"7-Hydroxycostunolide","","","","","","","","","","","","","","","","","","","","Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3a...","","CC1=CCCC(=CC2C(CC1)(C(=C)C(=O)O2)O)C","AZKRCCHLNBJNOK-HZAIZTQPSA-N","5471440",NA,"PDBC29247","711176","Present"
-"7-Hydroxydihydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5(2H)-trione","","","","","","","","","","","","","","","","","","","","7-Hydroxydihydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5(2H)-trione","","C1(NC(=O)N2N1C(=O)NC2=O)O","KPLHEIHNRIXGJW-UHFFFAOYSA-N","363511",NA,"PDBC29248","628443","Present"
-"7-Hydroxyl-6-chloro-coumarin-4-acetic acid","","","","","","","","","","","","","","","","","","","","7-Hydroxyl-6-chloro-coumarin-4-acetic acid","","C1=C(C2=CC(=C(C=C2OC1=O)O)Cl)CC(=O)O","WJZFYWJXEWRWAG-UHFFFAOYSA-N","5465258",NA,"PDBC29249","642906","Present"
-"7-Imino-1,7a-dimethyl-3-oxo-2-phenyl-pyrazolo[4,3-b]pyridine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Imino-1,7a-dimethyl-3-oxo-2-phenyl-pyrazolo[3,4-e]pyridine-6-carbonitrile","","CC12C(=N)C(=CN=C1C(=O)N(N2C)C3=CC=CC=C3)C#N","FIZLMCRFDUSPGS-UHFFFAOYSA-N","390256",NA,"PDBC29250","687548","Present"
-"7-Imino-1,7a-dimethyl-6-(4-methylbenzoyl)-2-phenyl-pyrazolo[4,3-b]pyridin-3-one","","","","","","","","","","","","","","","","","","","","7-Imino-1,7a-dimethyl-6-(4-methylbenzoyl)-2-phenyl-pyrazolo[4,3-b]pyridin-3-one","","CC1=CC=C(C=C1)C(=O)C2=CN=C3C(=O)N(N(C3(C2=N)C)C)C4=CC=CC=C4","CCYWDLDLIDRBRA-UHFFFAOYSA-N","390263",NA,"PDBC29251","687555","Present"
-"7-Imino-N,N-dimethylphenothiazin-3-amine","","","","","","","","","","","","","","","","","","","","7-Imino-N,N-dimethylphenothiazin-3-amine","","CN(C)C1=CC2=C(C=C1)N=C3C=CC(=N)C=C3S2","HMYISFASHDWPMO-UHFFFAOYSA-N","435683",NA,"PDBC29252","374111","Present"
-"7-Mercapto-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","","","","","","","","","","","","","","","","","","","7-Mercapto-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione","","C1=CC=C(C=C1)N2C3=C(C(N=CN3)S)SC2=S","VNNUNZJDZBXRHC-UHFFFAOYSA-N","373689",NA,"PDBC29253","650581","Present"
-"7-Methoxy-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-one","","COC1=CC(=O)NCCN1","IMYLZOHOVSFEDT-UHFFFAOYSA-N","371091",NA,"PDBC29254","645037","Present"
-"7-Methoxy-1,2-dimethyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","7-Methoxy-1,2-dimethyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole","","CC1C2=C(CCN1C)C3=C(N2)C(=C(C=C3)OC)[N+](=O)[O-]","YSUHODIMYOYCEO-UHFFFAOYSA-N","363618",NA,"PDBC29255","628647","Present"
-"7-Methoxy-1,5,6,9,13-pentamethyldibenzo[b,j][1,7]phenanthroline-8,14(5H,13H)-dione","","","","","","","","","","","","","","","","","","","","7-Methoxy-1,5,6,9,13-pentamethyl-5H,13H-dibenzo[b,j] phe...","","CC1=C2C(=CC=C1)N(C3=C(C(=C4C(=C3C2=O)N(C5=CC=CC(=C5C4=O)C)C)OC)C)C","UVOSCSFGSZGFNT-UHFFFAOYSA-N","378823",NA,"PDBC29256","662141","Present"
-"7-Methoxy-1,8,9,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-1,8,9,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one","","COC1=C2CCC3CCC(=O)C4=C3C2=C(O4)C=C1","LLXKFPDBYOGIIU-UHFFFAOYSA-N","361658",NA,"PDBC29257","624876","Present"
-"7-Methoxy-1-(3-methoxybenzyl)-2-methylisoquinolinium iodide","","","","","","","","","","","","","","","","","","","","7-Methoxy-1-(3-methoxybenzyl)-2-methylisoquinolinium iodide","","C[N+]1=C(C2=C(C=CC(=C2)OC)C=C1)CC3=CC(=CC=C3)OC.[I-]","WVWFNWBNPHGPPU-UHFFFAOYSA-M","371191",NA,"PDBC29258","645244","Present"
-"7-Methoxy-1-[(E)-2-phenylethenyl]-9H-beta-carboline--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","7-Methoxy-1-[(E)-2-phenylethenyl]-9H-pyrido[3,4-b]indole;hydrochloride","","COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C=CC4=CC=CC=C4.Cl","FVIOLEPSRVIOFI-HCUGZAAXSA-N","54606219",NA,"PDBC29259","94265","Present"
-"7-Methoxy-1-methyl-8-nitro-2-[(4-nitrophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","7-Methoxy-1-methyl-8-nitro-2-[(4-nitrophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole","","CC1C2=C(CCN1CC3=CC=C(C=C3)[N+](=O)[O-])C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]","FGHOGSVXOHWIFY-UHFFFAOYSA-N","363620",NA,"PDBC29260","628649","Present"
-"7-Methoxy-1-methyl-8-nitro-4,9-dihydro-3H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","7-Methoxy-1-methyl-8-nitro-4,9-dihydro-3H-pyrido[3,4-b]indole","","CC1=NCCC2=C1NC3=C2C=CC(=C3[N+](=O)[O-])OC","XYJUSDKNMGLBEZ-UHFFFAOYSA-N","363623",NA,"PDBC29261","628652","Present"
-"7-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","7-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CN1C2=C(C3=C1C4=C(C=C3)C(=O)C=CC4=O)C(=CC=C2)OC","VTXNAXJBVPSYNE-UHFFFAOYSA-N","373631",NA,"PDBC29262","650351","Present"
-"7-Methoxy-15,15-dimethyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine","","","","","","","","","","","","","","","","","","","","7-Methoxy-15,15-dimethyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine","","CC1(C2CCC1C3=NC4=C(C=C(C=C4)OC)C(=C23)N)C","JFCPJSBCPVGAFW-UHFFFAOYSA-N","402663",NA,"PDBC29263","716849","Present"
-"7-Methoxy-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3(11),4(9),5,7,13,15(19)-heptaen-12-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3(11),4(9),5,7,13,15(19)-heptaen-12-one","","COC1=CC2=C(C=C1)C3=C(C2)C(=O)C4=CC5=C(C=C4N3)OCO5","RLPJHDJYTOUYGB-UHFFFAOYSA-N","374409",NA,"PDBC29264","652119","Present"
-"7-Methoxy-2,4-dimethyl[1,8]naphthyridine","","","","","","","","","","","","","","","","","","","","7-Methoxy-2,4-dimethyl[1,8]naphthyridine","","CC1=CC(=NC2=C1C=CC(=N2)OC)C","IRKWQEIYQZYEPP-UHFFFAOYSA-N","274155",NA,"PDBC29265","119969","Present"
-"7-Methoxy-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione","","","","","","","","","","","","","","","","","","","","7-Methoxy-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione","","COC1=CC2=C(C=C1)NC3=C2C(=CC4=C3C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6","IZGXHTJXRTYOSU-UHFFFAOYSA-N","371269",NA,"PDBC29266","645328","Present"
-"7-Methoxy-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinoxalin e 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-methoxy-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinox...","","COC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CS3)C(F)(F)F)[O-]","AQWVDTQWUZDZLY-UHFFFAOYSA-N","23635524",NA,"PDBC29267","729178","Present"
-"7-Methoxy-2-(trichloromethyl)chromen-4-one","","","","","","","","","","","","","","","","","","","","NSC766467","","COC1=CC2=C(C=C1)C(=O)C=C(O2)C(Cl)(Cl)Cl","LPLSLEOFBMPIFG-UHFFFAOYSA-N","871153",NA,"PDBC29268","766467","Present"
-"7-Methoxy-2-phenyl-quinolin-4-ol","","","","","","","","","","","","","","","","","","","","4-Quinolinol, 7-methoxy-2-phenyl-","","COC1=CC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3","JZVUAOCDNFNSGQ-UHFFFAOYSA-N","289743",NA,"PDBC29269","151980","Present"
-"7-Methoxy-2-sulfanylidene-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-13-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-2-sulfanylidene-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-13-one","","COC1=CC2=C(C=C1)NC3=C2CC(=S)N4CCCC(C4)CC3=O","KVYAYJSACSASPU-UHFFFAOYSA-N","393325",NA,"PDBC29270","694990","Present"
-"7-Methoxy-3,4,4a,9a-tetrahydro-1H-fluorene-2,9-dione","","","","","","","","","","","","","","","","","","","","7-Methoxy-3,4,4a,9a-tetrahydro-1H-fluorene-2,9-dione","","COC1=CC2=C(C=C1)C3CCC(=O)CC3C2=O","FZZWEJOHMLNMPL-UHFFFAOYSA-N","372282",NA,"PDBC29271","647340","Present"
-"7-Methoxy-3-(1-naphthyl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-3-(1-naphthyl)-2-benzofuran-1(3H)-one","","COC1=CC=CC2=C1C(=O)OC2C3=CC=CC4=CC=CC=C43","PPYKPCGHMJNMEO-UHFFFAOYSA-N","362076",NA,"PDBC29272","625598","Present"
-"7-Methoxy-3-(4-methoxyphenyl)-2-pyridin-3-yl-2,3-dihydrochromen-4-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-3-(4-methoxyphenyl)-2-(pyridin-3-yl)-2,3-dihydro-4H-chromen-4-one","","COC1=CC=C(C=C1)C2C(OC3=C(C2=O)C=CC(=C3)OC)C4=CN=CC=C4","QBKCEPIJQDHOSD-UHFFFAOYSA-N","381879",NA,"PDBC29273","669142","Present"
-"7-Methoxy-3-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole","","","","","","","","","","","","","","","","","","","","7-Methoxy-3-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole","","COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C4=NOC5=C4CCC6=C5C=CC(=C6)OC","LZKSUVYQWLNVJV-UHFFFAOYSA-N","340667",NA,"PDBC29274","371688","Present"
-"7-Methoxy-3-(7-methoxy-4-oxo-chromen-3-yl)selanyl-chromen-4-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-3-(7-methoxy-4-oxo-chromen-3-yl)selanyl-chromen-4-one","","COC1=CC2=C(C=C1)C(=O)C(=CO2)[Se]C3=COC4=C(C3=O)C=CC(=C4)OC","SVGUFHZIOXAHAW-UHFFFAOYSA-N","374557",NA,"PDBC29275","652532","Present"
-"7-Methoxy-3-methyl-3-methylsulfanyl-5-nitro-indolin-2-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-3-methyl-3-methylsulfanyl-5-nitro-indolin-2-one","","CC1(C2=C(C(=CC(=C2)[N+](=O)[O-])OC)NC1=O)SC","XRTBRFNUYYOUGC-UHFFFAOYSA-N","393318",NA,"PDBC29276","694983","Present"
-"7-Methoxy-3-oxa-6,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,7,9,11-pentaene","","","","","","","","","","","","","","","","","","","","5-Methoxy[1,3]oxazolo[3,2-c]pyrrolo[3,2-e]pyrimidine","","COC1=NC2=NC=CC2=C3N1C=CO3","IBGUGVJDZRPQMG-UHFFFAOYSA-N","364481",NA,"PDBC29277","630813","Present"
-"7-Methoxy-3-phenyl-2-pyridin-3-yl-2,3-dihydrochromen-4-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-3-phenyl-2-(pyridin-3-yl)-2,3-dihydro-4H-chromen-4-one","","COC1=CC2=C(C=C1)C(=O)C(C(O2)C3=CN=CC=C3)C4=CC=CC=C4","BCPRALJNRUBHRE-UHFFFAOYSA-N","381878",NA,"PDBC29278","669141","Present"
-"7-Methoxy-3-phenyl-2-quinoxalinol","","","","","","","","","","","","","","","","","","","","7-Methoxy-3-phenyl-2-quinoxalinol","","COC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3","MEZKKDLCWHEHDC-UHFFFAOYSA-N","383935",NA,"PDBC29279","672891","Present"
-"7-Methoxy-4-methyl-6-nitrochromen-2-one","","","","","","","","","","","","","","","","","","","","NCIMech_000462","","CC1=CC(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])OC","WDTSLGKXQQQGGL-UHFFFAOYSA-N","326959",NA,"PDBC29280","299879","Present"
-"7-Methoxy-4-methyl-8-[6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-4-methyl-8-[6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one","","CC1=CC(=O)OC2=C1C=CC(=C2C3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC)OC","RUEHFXYXGMVEPS-UHFFFAOYSA-N","388292",NA,"PDBC29281","682933","Present"
-"7-Methoxy-5,11-dimethyl-10H-pyrido[3,4-b]carbazole","","","","","","","","","","","","","","","","","","","","7-Methoxy-5,11-dimethyl-10H-pyrido[3,4-b]carbazole","","CC1=C2C=CN=CC2=C(C3=C1C4=C(N3)C=CC(=C4)OC)C","FADZDHSBHUCMGW-UHFFFAOYSA-N","379120",NA,"PDBC29282","663334","Present"
-"7-Methoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol","","","","","","","","","","","","","","","","","","","","7-Methoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol","","COC1=C2C(N3C4=CC=CC=C4N=C3SC2=NC(=N1)SC)O","CZSXMGDPBCWTFJ-UHFFFAOYSA-N","399936",NA,"PDBC29283","711088","Present"
-"7-Methoxy-5-oxo-2,3,10,10a-tetrahydro-5H-[1,3]oxazolo[3,2-b]isoquinoline-10-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-Methoxy-5-oxo-2,3,10,10a-tetrahydro-5H-[1,3]oxazolo[3,2-b]isoquinoline-10-carboxylic acid","","COC1=CC2=C(C=C1)C(C3N(C2=O)CCO3)C(=O)O","AOJTZPDTBSZALY-UHFFFAOYSA-N","365560",NA,"PDBC29284","633321","Present"
-"7-Methoxy-5-oxo-8-[3-(9-oxo-9,2H,3H,5H-bezo[e]pyrrolo[1,2-a][1,4]d iazepine","","","","","","","","","","","","","","","","","","","","7-methoxy-5-oxo-8-[3-(9-oxo-9,10-dihydro-4-acridinylcarb...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCNC(=O)C4=CC=CC5=C4NC6=CC=CC=C6C5=O","GPLZHBAZQDPOEZ-SFHVURJKSA-N","10029773",NA,"PDBC29285","725983","Present"
-"7-Methoxy-8-(3-4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo [d]imidazol-2-yl]phenoxypropoxy)-(11aS)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","7-methoxy-8-(3-4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-b...","","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC","AQHPQTMEIVSAKL-VWLOTQADSA-N","10326157",NA,"PDBC29286","727931","Present"
-"7-Methoxy-8-(4-2-methoxy-4-[(10-oxo-9,10-dihydro-9-nthracenyliden)methyl]","","","","","","","","","","","","","","","","","","","","7-methoxy-8-(4-2-methoxy-4-[(10-oxo-9,10-dihydro-9-nthra...","","COC1=C(C=CC(=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42)OCCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC","RPDVVSQGCUDZGT-UHFFFAOYSA-N","45029072",NA,"PDBC29287","745355","Present"
-"7-Methoxy-8-{3-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromenyl)he xahydro-1-pyrazinyl]propoxy}-(11aS)-2,5,11a-tetrahydro-1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-8-{3-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromeny...","","CC1=C(C=CC2=C1OC(=O)C=C2N3CCN(CC3)CCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","ZSALECXXXJJTOC-NRFANRHFSA-N","16113135",NA,"PDBC29288","735797","Present"
-"7-Methoxy-8-{4-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromenyl) hexahydro-1-pyrazinyl]pentoxy-(11aS)-2,5,11a-tetrahydro 1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-8-{4-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromeny...","","CC1=C(C=CC2=C1OC(=O)C=C2N3CCN(CC3)CCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","ZJTCPJOZIYGGHO-QHCPKHFHSA-N","16113137",NA,"PDBC29289","735798","Present"
-"7-Methoxy-8-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1-pyrazinyl]pentoxy-(11aS)-2,5,11a-tetrahydro-1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one","","","","","","","","","","","","","","","","","","","","7-Methoxy-8-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1- pyr...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4CCN(CC4)C5=CC(=O)OC6=CC=CC=C65","DFFSZOLPRQTKJP-QFIPXVFZSA-N","16040331",NA,"PDBC29290","735799","Present"
-"7-Methoxy-9H-furo[2,3-b]quinoline-3,4-dione","","","","","","","","","","","","","","","","","","","","2,3-Dihydro-7-methoxy-3-oxofuroquinol-4-one","","COC1=CC2=C(C=C1)C(=O)C3=C(N2)OCC3=O","MZTLCNSWGBNAPC-UHFFFAOYSA-N","393789",NA,"PDBC29291","696554","Present"
-"7-Methoxy-N-(2-((2-(((7-methoxy-1-methyl-1H-benzo[g]indol-3-yl)carbonyl)amino)ethyl)(methyl)amino)ethyl)-1-methyl-1H-benzo[g]indole-3-carboxamide","","","","","","","","","","","","","","","","","","","","7-Methoxy-N-[2-[2-[(7-methoxy-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide","","CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)OC)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)OC)C","ANSOMLSHMKCSIY-UHFFFAOYSA-N","395029",NA,"PDBC29292","699191","Present"
-"7-Methoxy-N-(3-((3-(((7-methoxy-1-methyl-1H-benzo[g]indol-3-yl)carbonyl)amino)propyl)(methyl)amino)propyl)-1-methyl-1H-benzo[g]indole-3-carboxamide","","","","","","","","","","","","","","","","","","","","7-Methoxy-N-[3-[3-[(7-methoxy-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide","","CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)OC)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)OC)C","RBSJGTGRXKVMCE-UHFFFAOYSA-N","395030",NA,"PDBC29293","699192","Present"
-"7-Methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-4-methylquinolin-2-amine","","","","","","","","","","","","","","","","","","","","7-Methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-4-methylquinolin-2-amine","","CC1=CC(=NC2=C1C=CC(=C2)OC)NN=CC3=CC=C(C4=CC=CC=C34)OC","UXTPIEAVVBFYIV-ZVHZXABRSA-N","9555471",NA,"PDBC29294","332402","Present"
-"7-Methoxycoumarin-4-acetic acid","","","","","","","","","","","","","","","","","","","","Mca-OH","","COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O","ZEKAXIFHLIITGV-UHFFFAOYSA-N","342221",NA,"PDBC29295","378137","Present"
-"7-Methoxyfuro[2,3-b]quinolin-4(9H)-one","","","","","","","","","","","","","","","","","","","","7-Methoxyfuro[2,3-b]quinol-4-one","","COC1=CC2=C(C=C1)C(=O)C3=C(N2)OC=C3","KYQQCEHDCLFPRJ-UHFFFAOYSA-N","393788",NA,"PDBC29296","696553","Present"
-"7-Methoxyisoindolo[1,2-a]quinoxalin-4(5H)one","","","","","","","","","","","","","","","","","","","","7-methoxyisoindolo[1,2-a]quinoxalin-4(5H)one","","COC1=CC2=C(C=C1)N3C=C4C=CC=CC4=C3C(=O)N2","MKSBPJHYGYRHHG-UHFFFAOYSA-N","24205092",NA,"PDBC29297","734237","Present"
-"7-Methyl-1,2,3-benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","NSC636098","","CC1=CC=CC2=NS[S+]=C12.[Cl-]","QJMOTOHOXCXPTR-UHFFFAOYSA-M","366934",NA,"PDBC29298","636098","Present"
-"7-Methyl-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Methyl-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile","","CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4)C#N","OAICRPUTUZUKJY-UHFFFAOYSA-N","377278",NA,"PDBC29299","658531","Present"
-"7-Methyl-1-((4-methylphenyl)sulfonyl)imidazo[1,2-a]pyrimidin-5(1H)-one","","","","","","","","","","","","","","","","","","","","7-Methyl-1-((4-methylphenyl)sulfonyl)imidazo[1,2-a]pyrimidin-5(1H)-one","","CC1=CC=C(C=C1)S(=O)(=O)N2C=CN3C2=NC(=CC3=O)C","LWQVWICVZWCCSY-UHFFFAOYSA-N","377285",NA,"PDBC29300","658538","Present"
-"7-Methyl-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","7-Methyl-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","CC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4F)F","AADYPVFVJHGZAN-UHFFFAOYSA-N","385622",NA,"PDBC29301","676947","Present"
-"7-Methyl-1-oxacycloundec-9-yne-2,6-dione","","","","","","","","","","","","","","","","","","","","7-Methyloxacycloundec-9-yne-2,6-dione","","CC1CC#CCOC(=O)CCCC1=O","KYFIMMHNHSRTKU-UHFFFAOYSA-N","360882",NA,"PDBC29302","623588","Present"
-"7-Methyl-10,11-methylenedioxy-20(S)-camptothecin","","","","","","","","","","","","","","","","","","","","7-Methyl-10,11-methylenedioxy-20(S)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)C)O","BGMKTSYQDUAZFJ-QFIPXVFZSA-N","468672",NA,"PDBC29303","673594","Present"
-"7-Methyl-13,13a-dihydro-9H-[1,3]thiazolo[4,3-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepine-9-thione","","","","","","","","","","","","","","","","","","","","15-Methyl-9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaene-12-thione","","CC1=CC2=C(C=C1)N3C=NN=C3C4CSCN4C2=S","BHGVRVDHQMPXGC-UHFFFAOYSA-N","388519",NA,"PDBC29304","683503","Present"
-"7-Methyl-2,4,4-tris(phenylsulfonyl)bicyclo[4.2.0]oct-1-ene","","","","","","","","","","","","","","","","","","","","7-Methyl-2,4,4-tris(phenylsulfonyl)bicyclo[4.2.0]oct-1-ene","","CC1CC2=C(CC(CC12)(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","GVZLKVWZCOHZIN-UHFFFAOYSA-N","373293",NA,"PDBC29305","649445","Present"
-"7-Methyl-2-(1-piperidinylmethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(1-piperidinylmethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","CC1=CC(=O)N2C(=N1)SC(=N2)CN3CCCCC3","YXOIBJWBDIXRSD-UHFFFAOYSA-N","385797",NA,"PDBC29306","677191","Present"
-"7-Methyl-2-(1-piperidylmethyl)pyrido[1,2-a]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(1-piperidylmethyl)pyrido[1,2-a]pyrimidin-4-one","","CC1=CN2C(=NC(=CC2=O)CN3CCCCC3)C=C1","ILGQMUKEXZUNBU-UHFFFAOYSA-N","390351",NA,"PDBC29307","687687","Present"
-"7-Methyl-2-(2,5-dimethyl-3-thienyl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(2,5-dimethyl-3-thienyl)-1,8-naphthyridine-4(1H)-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=C(SC(=C3)C)C","MPOCYEDDQCUTMA-UHFFFAOYSA-N","5470413",NA,"PDBC29308","701191","Present"
-"7-Methyl-2-(2-thienyl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(2-thienyl)-1,8-naphthyridine-4(1H)-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CS3","LZTBFZWKSHKFNC-UHFFFAOYSA-N","5470411",NA,"PDBC29309","701189","Present"
-"7-Methyl-2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyc...","","CC1C2C=CC1C(C2C3=C4C=CC(=O)C(=C4OC5=C3C=CC(=C5O)O)O)C(=O)O","BSAMRWOMXJWVCE-UHFFFAOYSA-N","274125",NA,"PDBC29310","119913","Present"
-"7-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 7-methyl-2-(3-methyl-2-thien...","","CC1=C(SC=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)C","PAARUIKEXNWGTD-UHFFFAOYSA-N","5470410",NA,"PDBC29311","701188","Present"
-"7-Methyl-2-(3-methylbenzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(3-methylbenzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=C(C4=CC=CC=C4S3)C","YYWOOVGOMGHNOU-UHFFFAOYSA-N","5470949",NA,"PDBC29312","706463","Present"
-"7-Methyl-2-(3-thienyl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(3-thienyl)-1,8-naphthyridine-4(1H)-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CSC=C3","YDMOCWCIGJOTHE-UHFFFAOYSA-N","5470412",NA,"PDBC29313","701190","Present"
-"7-Methyl-2-(4-nitrophenyl)-3,6,12,14-tetraoxatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),9,11(15)-triene","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(4-nitrophenyl)-3,6,12,14-tetraoxatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),9,11(15)-triene","","CC12CC3=CC4=C(C=C3C1(OCCO2)C5=CC=C(C=C5)[N+](=O)[O-])OCO4","CTDADBHYUADXAE-UHFFFAOYSA-N","404209",NA,"PDBC29314","720376","Present"
-"7-Methyl-2-(5-chloro-2-thienyl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(5-chloro-2-thienyl)-1,8-naphthyridine-4(1H)-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(S3)Cl","MNNFLOIBRFNAKA-UHFFFAOYSA-N","5470414",NA,"PDBC29315","701192","Present"
-"7-Methyl-2-(5-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 7-methyl-2-(5-methyl-2-thien...","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(S3)C","VMNGOZCAFUKTMO-UHFFFAOYSA-N","5470409",NA,"PDBC29316","701187","Present"
-"7-Methyl-2-(5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(S3)C4=CC=CC=C4","VLBKMOGBALWCFG-UHFFFAOYSA-N","5470947",NA,"PDBC29317","706461","Present"
-"7-Methyl-2-(benzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","1,8-Naphthyridin-4(1H)-one, 2-(benzo[b]thiophen-2-yl)-7-...","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC4=CC=CC=C4S3","CIAZHGARPWZJCQ-UHFFFAOYSA-N","5470950",NA,"PDBC29318","706464","Present"
-"7-Methyl-2-(benzo[b]thiophene-3-yl)-1,8-naphthyridine-4(1H)-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(benzo[b]thiophene-3-yl)-1,8-naphthyridine-4(1H)-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CSC4=CC=CC=C43","GINJZDYIUXFIFH-UHFFFAOYSA-N","5470948",NA,"PDBC29319","706462","Present"
-"7-Methyl-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinoxaline 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-methyl-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinoxa...","","CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CS3)C(F)(F)F)[O-]","PCLVZBNCZUCIMY-UHFFFAOYSA-N","23635523",NA,"PDBC29320","729177","Present"
-"7-Methyl-2-(thiophen-2-ylmethyl)-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(2-thienylmethyl)-1h-1,8-naphthyridin-4-one","","CC1=NC2=C(C=C1)C(=O)C=C(N2)CC3=CC=CS3","JBTRCYLMXADDNX-UHFFFAOYSA-N","397852",NA,"PDBC29321","706465","Present"
-"7-Methyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NNC(=S)S3","SMSXLUPENSZBPL-UHFFFAOYSA-N","3005142",NA,"PDBC29322","677192","Present"
-"7-Methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-(((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NN=C(S3)SC","MVXKUMQDJOFOAN-UHFFFAOYSA-N","385799",NA,"PDBC29323","677193","Present"
-"7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one","","CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)C","WHANICGPAJMUTA-UHFFFAOYSA-N","5468782",NA,"PDBC29324","676188","Present"
-"7-Methyl-2-oxo-6-thioxo-1,2,3,6-tetrahydropurine","","","","","","","","","","","","","","","","","","","","7-Methyl-2-oxo-6-thioxo-1,2,3,6-tetrahydropurine","","CN1C=NC2=C1C(=S)NC(=O)N2","BVJKWTIGJVUGCY-UHFFFAOYSA-N","3667907",NA,"PDBC29325","618276","Present"
-"7-Methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-phenyl-5,6-dihydro-4h-pyrrolo[2,3-d]pyridazin-4-one","","CC1=NNC(=O)C2=C1NC(=C2)C3=CC=CC=C3","HGVQNLXDFPQOHV-UHFFFAOYSA-N","135426723",NA,"PDBC29326","711310","Present"
-"7-Methyl-2-phenylpyrido[1,2-a]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one","","CC1=CN2C(=NC(=CC2=O)C3=CC=CC=C3)C=C1","XAJJRVMNUNCIMO-UHFFFAOYSA-N","377422",NA,"PDBC29327","658865","Present"
-"7-Methyl-2-thioxo-3,6,7,8-tetrahydro-1H-[1,3]thiazino[3,2-a]purin-10-one","","","","","","","","","","","","","","","","","","","","7-Methyl-2-thioxo-3,6,7,8-tetrahydro-1H-[1,3]thiazino[3,2-a]purin-10-one","","CC1CN2C(=O)C3=C(NC(=S)N3)N=C2SC1","IDMAVHKHEWUJPY-UHFFFAOYSA-N","3004518",NA,"PDBC29328","658169","Present"
-"7-Methyl-3,3-di(1-naphthyl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","7-Methyl-3,3-di(1-naphthyl)-2-benzofuran-1(3H)-one","","CC1=C2C(=CC=C1)C(OC2=O)(C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65","XACLMDHBNPYJIR-UHFFFAOYSA-N","362082",NA,"PDBC29329","625605","Present"
-"7-Methyl-3-(1,2,3,5-thiatriazol-4-yl)-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","7-Methyl-3-(1,2,3,5-thiatriazol-4-yl)-1H-1,8-naphthyridin-4-one","","CC1=NC2=C(C=C1)C(=O)C(=CN2)C3=NSN=N3","PBUYLDNLGXBRKS-UHFFFAOYSA-N","135426673",NA,"PDBC29330","706815","Present"
-"7-Methyl-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1H-1,8-naphthyridin-4-one","","","","","","","","","","","","","","","","","","","","7-Methyl-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1H-1,8-naphthyridin-4-one","","CC1=NC2=C(C=C1)C(=O)C(=CN2)C3=NNC(=S)S3","OANIEMQAPAOSRH-UHFFFAOYSA-N","135426674",NA,"PDBC29331","706816","Present"
-"7-Methyl-3-(4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","","","","","","","","","","","","","","","","","","","7-Methyl-3-(4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one","","CC1=C2CC(C(=O)C2=CC=C1)C3C4=CC=CC(=C4C(=O)O3)C","SSBSVRYQAXLVGH-UHFFFAOYSA-N","385689",NA,"PDBC29332","677035","Present"
-"7-Methyl-3-(4-morpholinyl)-5-phenyl-5H-pyrazolo[3,4-e][1,2,4]triazine","","","","","","","","","","","","","","","","","","","","7-Methyl-3-(4-morpholinyl)-5-phenyl-5H-pyrazolo[3,4-e][1,2,4]triazine","","CC1=NN(C2=C1N=NC(=N2)N3CCOCC3)C4=CC=CC=C4","UOJDYDVSARLXAC-UHFFFAOYSA-N","363951",NA,"PDBC29333","629485","Present"
-"7-Methyl-3-(4-nitrophenyl)-4-oxo-6-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Methyl-3-(4-nitrophenyl)-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","ZDRAFTRNCIWGHA-UHFFFAOYSA-N","398633",NA,"PDBC29334","708783","Present"
-"7-Methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one","","","","","","","","","","","","","","","","","","","","Indole-2,3-dione, 7-methyl-, 3-[(o-nitrophenyl)hydrazone]","","CC1=C2C(=CC=C1)C(=C(N2)O)N=NC3=CC=CC=C3[N+](=O)[O-]","FAQZWVGKJYEPQA-UHFFFAOYSA-N","3693487",NA,"PDBC29335","117917","Present"
-"7-Methyl-3-[2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine","","","","","","","","","","","","","","","","","","","","1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane","","CC1=CC2=NN=C(N2C=C1)CCC3=NN=C4N3C=CC(=C4)C","YZJYQGRMFVKPAP-UHFFFAOYSA-N","327606",NA,"PDBC29336","303530","Present"
-"7-Methyl-3-[2-methyl-3-(7-methyl-4-oxo-8-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazin-3-yl)phenyl]-8-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazin-4-one","","","","","","","","","","","","","","","","","","","","7-Methyl-3-[2-methyl-3-(7-methyl-4-oxo-8-phenylpyrazolo[5,1-d][1,2,3,5]tetrazin-3-yl)phenyl]-8-phenylpyrazolo[5,1-d][1,2,3,5]tetrazin-4-one","","CC1=C(C=CC=C1N2C(=O)N3C(=C(C(=N3)C)C4=CC=CC=C4)N=N2)N5C(=O)N6C(=C(C(=N6)C)C7=CC=CC=C7)N=N5","QOOYVEKSTHORBJ-UHFFFAOYSA-N","362684",NA,"PDBC29337","626915","Present"
-"7-Methyl-3-phenyl-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","7-Methyl-3-phenyl-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine","","CC1=CC2=C(C=C1)N=C(C(=N2)NC3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4","MCVPJAKVKADPKQ-UHFFFAOYSA-N","374164",NA,"PDBC29338","651633","Present"
-"7-Methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile","","CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4","CWLBHIMBKQEBAE-UHFFFAOYSA-N","396109",NA,"PDBC29339","701657","Present"
-"7-Methyl-4H-thieno[2,3-b]pyridine-5-carboxamide","","","","","","","","","","","","","","","","","","","","7-Methyl-4H-thieno[2,3-b]pyridine-5-carboxamide","","CN1C=C(CC2=C1SC=C2)C(=O)N","VPQYBXPNUXSAFC-UHFFFAOYSA-N","366368",NA,"PDBC29340","634744","Present"
-"7-Methyl-5-oxo-benzimidazolo[1,2-a]quinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","Z734296158","","CN1C2=CC=CC=C2N3C1=C(C(=O)C4=CC=CC=C43)C#N","XRQNYPHNZPECFW-UHFFFAOYSA-N","391673",NA,"PDBC29341","691215","Present"
-"7-Methyl-5-thioxo-benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile","","","","","","","","","","","","","","","","","","","","7-Methyl-5-thioxo-benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile","","CN1C2=CC=CC=C2N3C1=C(C(=S)C4=C3N=CC=C4)C#N","MAWSOZUGGFVOSJ-UHFFFAOYSA-N","393028",NA,"PDBC29342","694272","Present"
-"7-Methyl-6-nitro-6a,11b-dihydrobenzo[c]carbazole-1,4-diol","","","","","","","","","","","","","","","","","","","","7-Methyl-6-nitro-6a,11b-dihydrobenzo[c]carbazole-1,4-diol","","CN1C2C(C3=CC=CC=C31)C4=C(C=CC(=C4C=C2[N+](=O)[O-])O)O","FBORASWGOQAZHS-UHFFFAOYSA-N","5132626",NA,"PDBC29343","704288","Present"
-"7-Methyl-8-nitro-1-phenyl-triazolo[1,2-a]benzotriazol-4-ium-5-ide","","","","","","","","","","","","","","","","","","","","7-Methyl-8-nitro-1-phenyl-triazolo[1,2-a]benzotriazol-4-ium-5-ide","","CC1=CC2=C(C=C1[N+](=O)[O-])N3C(=C[N-][N+]3=N2)C4=CC=CC=C4","QOYGMTRTOCNLBY-UHFFFAOYSA-N","393147",NA,"PDBC29344","694560","Present"
-"7-Methyl-8-phenylmethoxy-1,4-dioxaspiro[4.5]decane","","","","","","","","","","","","","","","","","","","","7-Methyl-8-phenylmethoxy-1,4-dioxaspiro[4.5]decane","","CC1CC2(CCC1OCC3=CC=CC=C3)OCCO2","CVSNBODVZRBWGU-UHFFFAOYSA-N","359576",NA,"PDBC29345","620568","Present"
-"7-Methyl-N-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","7-Methyl-N-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxamide","","CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)NN3C(=CSC3=S)C","OZPRTYGUUOXTPA-UHFFFAOYSA-N","5470959",NA,"PDBC29346","706818","Present"
-"7-Methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","7-Methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","TWCCUNNTUQFHLR-UHFFFAOYSA-N","381387",NA,"PDBC29347","667927","Present"
-"7-Methyl-coumarin-4-acetic acid","","","","","","","","","","","","","","","","","","","","7-Methyl-coumarin-4-acetic acid","","CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O","VDQLZKYCWITDPF-UHFFFAOYSA-N","370162",NA,"PDBC29348","642904","Present"
-"7-Methylbenzimidazolo[1,2-a][1,8]naphthyridin-5-one","","","","","","","","","","","","","","","","","","","","7-Methylbenzimidazolo[1,2-a][1,8]naphthyridin-5-one","","CN1C2=CC=CC=C2N3C1=CC(=O)C4=C3N=CC=C4","ZTXBZVLHPPQVJS-UHFFFAOYSA-N","395234",NA,"PDBC29349","699709","Present"
-"7-Methylbenzopentathiepin","","","","","","","","","","","","","","","","","","","","7-Methylbenzopentathiepin","","CC1=CC2=C(C=C1)SSSSS2","UCLBADMPOHUZHA-UHFFFAOYSA-N","399255",NA,"PDBC29350","709943","Present"
-"7-Methylcoumarin","","","","","","","","","","","","","","","","","","","","7-methylcoumarin","","CC1=CC2=C(C=C1)C=CC(=O)O2","DLHXRDUXNVEIEY-UHFFFAOYSA-N","17131",NA,"PDBC29351","19511","Present"
-"7-Methylenebicyclo[3.2.0]heptane-1-carbaldehyde","","","","","","","","","","","","","","","","","","","","7-Methylenebicyclo[3.2.0]heptane-1-carbaldehyde","","C=C1CC2C1(CCC2)C=O","INQACIDBOKVKKE-UHFFFAOYSA-N","372313",NA,"PDBC29352","647372","Present"
-"7-Methylenebicyclo[3.3.1]nonan-3-ol","","","","","","","","","","","","","","","","","","","","ZOEABCSXGLYIIV-UHFFFAOYSA-N","","C=C1CC2CC(C1)CC(C2)O","ZOEABCSXGLYIIV-UHFFFAOYSA-N","361984",NA,"PDBC29353","625462","Present"
-"7-Methylisonoracronycin","","","","","","","","","","","","","","","","","","","","7-Methylisonoracronycin","","CC1=C2C(=CC=C1)N(C3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)C","SYFUQHSRSVYVOC-UHFFFAOYSA-N","378824",NA,"PDBC29354","662142","Present"
-"7-Methyljuglone","","","","","","","","","","","","","","","","","","","","ramentaceone///7-methyljuglone","","CC1=CC2=C(C(=O)C=CC2=O)C(=C1)O","OZUSCVSONBBWOR-UHFFFAOYSA-N","26905",NA,"PDBC29355","208733///624625","Present"
-"7-Methylnaphthalen-2-ol","","","","","","","","","","","","","","","","","","","","DNCGBNFOSLTQQB-UHFFFAOYSA-N","","CC1=CC2=C(C=C1)C=CC(=C2)O","DNCGBNFOSLTQQB-UHFFFAOYSA-N","259190",NA,"PDBC29356","88876","Present"
-"7-Methylpyreno[1,2-b]pyran-9-one","","","","","","","","","","","","","","","","","","","","7-Methylpyreno[1,2-b]pyran-9-one","","CC1=CC(=O)OC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4","LWOPPQJPSYURKO-UHFFFAOYSA-N","361187",NA,"PDBC29357","624116","Present"
-"7-Nitro-1,2,4-benzotriazin-3-amine 1,4-dioxide","","","","","","","","","","","","","","","","","","","","7-Nitro-1,2,4-benzotriazin-3-amine-1,4-dioxide","","C1=CC2=C(C=C1[N+](=O)[O-])[N+](=NC(=[N+]2[O-])N)[O-]","OJMWWLBHDZZSMF-UHFFFAOYSA-N","135427573",NA,"PDBC29358","623606","Present"
-"7-Nitro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","","","","","","","","","","","","","","","","","","","7-Nitro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)[N+](=O)[O-]","NWGWIRRSIXWBBQ-UHFFFAOYSA-N","384825",NA,"PDBC29359","675277","Present"
-"7-Nitro-1-benzoxepine-3,5-dione","","","","","","","","","","","","","","","","","","","","7-Nitro-1-benzoxepine-3,5-dione","","C1C(=O)COC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]","QKTQPRBTMNLASN-UHFFFAOYSA-N","379143",NA,"PDBC29360","663422","Present"
-"7-Nitro-1-phenyl-9H-pyrido[3,4-b]indol-6-amine","","","","","","","","","","","","","","","","","","","","7-Nitro-1-phenyl-9H-pyrido[3,4-b]indol-6-amine","","C1=CC=C(C=C1)C2=NC=CC3=C2NC4=CC(=C(C=C34)N)[N+](=O)[O-]","DSFXMBPEZWDCGA-UHFFFAOYSA-N","3708091",NA,"PDBC29361","620318","Present"
-"7-Nitro-2,4,9-tetrahydrothiazolo[2,3:2',3']pyrimido[5,6-b]indol-4-one","","","","","","","","","","","","","","","","","","","","7-Nitro-2,3,4,9-tetrahydrothiazolo[2,3:2',3']pyrimido[5,...","","C1CSC2=NC3=C(C4=C(N3)C=C(C=C4)[N+](=O)[O-])C(=O)N21","JOBSFLYRDVVKGH-UHFFFAOYSA-N","24205301",NA,"PDBC29362","734976","Present"
-"7-Nitro-2-[4-(7-nitro-3-oxo-4,9-dihydrofuro[3,2-b]quinoxalin-2-yl)phenyl]-4,9-dihydrofuro[3,2-b]quinoxalin-3-one","","","","","","","","","","","","","","","","","","","","7-Nitro-2-[4-(7-nitro-3-oxo-4,9-dihydrofuro[3,2-b]quinoxalin-2-yl)phenyl]-4,9-dihydrofuro[3,2-b]quinoxalin-3-one","","C1=CC(=CC=C1C2C(=O)C3=C(O2)NC4=C(N3)C=CC(=C4)[N+](=O)[O-])C5C(=O)C6=C(O5)NC7=C(N6)C=CC(=C7)[N+](=O)[O-]","LFAVZZKNQFFBAI-UHFFFAOYSA-N","5086250",NA,"PDBC29363","372295","Present"
-"7-Nitro-3-trifluoroacetamido-1,2,4-benzotriazine 1-oxide","","","","","","","","","","","","","","","","","","","","7-Nitro-3-trifluoroacetamido-1,2,4-benzotriazine 1-oxide","","C1=CC2=C(C=C1[N+](=O)[O-])[N+](=NC(=N2)NC(=O)C(F)(F)F)[O-]","STOFILPYCPTKFT-UHFFFAOYSA-N","6711497",NA,"PDBC29364","628909","Present"
-"7-Nitro-4,10,15-trioxa-3,5-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene","","","","","","","","","","","","","","","","","","","","7-Nitro-4,10,15-trioxa-3,5-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene","","C1CCOC2=C(C=C(C3=NON=C23)[N+](=O)[O-])OC1","WIMLVTXEMBEACG-UHFFFAOYSA-N","379727",NA,"PDBC29365","664701","Present"
-"7-Nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole","","","","","","","","","","","","","","","","","","","","Benzofurazan, 4-nitro-7-(2-pyridinylthio)-, N-oxide","","C1=CC=[N+](C(=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-]","ICCFXXDUYSPKOL-UHFFFAOYSA-N","313619",NA,"PDBC29366","228155","Present"
-"7-Nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole","","","","","","","","","","","","","","","","","","","","7-Nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole","","C1=C(C2=NON=C2C(=C1)SC3=NC=NC4=C3NC=N4)[N+](=O)[O-]","WPEZIZWVHZBGSL-UHFFFAOYSA-N","4982876",NA,"PDBC29367","348402","Present"
-"7-Nitro-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-one oxime","","","","","","","","","","","","","","","","","","","","7-Nitro-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-one oxime","","C1CC(=NO)C2=NON=C2C1[N+](=O)[O-]","APOWPKHRVVKAEE-CLTKARDFSA-N","135499457",NA,"PDBC29368","661462","Present"
-"7-Nitro-9H-fluorene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-Nitro-9H-fluorene-2-carboxylic acid","","C1C2=C(C=CC(=C2)C(=O)O)C3=C1C=C(C=C3)[N+](=O)[O-]","OJHCXHSNQPRFSN-UHFFFAOYSA-N","272395",NA,"PDBC29369","116758","Present"
-"7-Nitroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","PTIUYQPSCURKID-UHFFFAOYSA-N","","CCOC(=O)C1=CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=N1","PTIUYQPSCURKID-UHFFFAOYSA-N","396586",NA,"PDBC29370","703094","Present"
-"7-Nitrothieno[3,2-b]thiochromen-9-one","","","","","","","","","","","","","","","","","","","","7-Nitrothieno[3,2-b]thiochromen-9-one","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C(S2)C=CS3","GOIKLKDFDSEHJA-UHFFFAOYSA-N","268883",NA,"PDBC29371","109361","Present"
-"7-O,8-O-Isopropylidene Iriomoteolide 3a","","","","","","","","","","","","","","","","","","","","7-O,8-O-Isopropylidene Iriomoteolide 3a","","CC=CCC=CC(C)CC(C1CC2C(O2)C=CC3C(C=CCC(CC(=O)O1)C)OC(O3)(C)C)O","OMPWONMEHUFMDA-QWUKNQAUSA-N","24808220",NA,"PDBC29372","753164","Present"
-"7-O-(2,6-Trideoxy-2-fluoro-alpha-L-talo-hexopyranosyl)-4-demethoxydaunomycinone","","","","","","","","","","","","","","","","","","","","7-O-(2,3,6-Trideoxy-2-fluoro-.alpha.-L-talo-hexopyranosy...","","CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)F)O)O","NGJXJNTVSNDJSI-WMTCIOGSSA-N","6712215",NA,"PDBC29373","659948","Present"
-"7-O-(3,3,6-Trideoxy-2-fluoro-alpha-L-talo-hexopyranosyl)-4-demethoxydaunomycinone","","","","","","","","","","","","","","","","","","","","7-O-(3,4-Di-O-acetyl-2,3,6-trideoxy-2-fluoro-.alpha.-L-t...","","CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)F)OC(=O)C)OC(=O)C","KSPIDFVFEYXKKS-FWBYHSKOSA-N","6712217",NA,"PDBC29374","659950","Present"
-"7-O-Methylepinogalarol","","","","","","","","","","","","","","","","","","","","daunomycin compound d","","CC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)OC)O","HXCSJGHKDZKLKV-RNFADZNJSA-N","6711164",NA,"PDBC29375","102815","Present"
-"7-O-beta-D-Galactosyl-befeldin A","","","","","","","","","","","","","","","","","","","","7-O-.beta.-D-Galactosyl-befeldin A","","CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)OC3C(C(C(C(O3)CO)O)O)O","WMQPIXSJUDBUIO-BZTFNWKCSA-N","5468580",NA,"PDBC29376","671928","Present"
-"7-Oxaspiro[5.9]pentadecane-1,8,13-trione","","","","","","","","","","","","","","","","","","","","7-Oxaspiro[5.9]pentadecane-1,8,13-trione","","C1CCC(=O)OC2(CCCCC2=O)CCC(=O)C1","WKFVGAYXXLSWRG-UHFFFAOYSA-N","391713",NA,"PDBC29377","691253","Present"
-"7-Oxo-1,2,3,5,6,7-hexahydro-s-indacene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-Oxo-1,2,3,5,6,7-hexahydro-s-indacene-1-carboxylic acid","","C1CC2=CC3=C(C=C2C1C(=O)O)C(=O)CC3","XADQZDDCJNESEW-UHFFFAOYSA-N","380772",NA,"PDBC29378","666482","Present"
-"7-Oxo-6-phenyl-5-oxa-12a-aza-5,6,7,12a-tetrahydrodibenzo[a,e]azulene-12-carbonitrile","","","","","","","","","","","","","","","","","","","","7-oxo-6-phenyl-6,7-dihydroisoindolo[1,2-d][1,5]benzoxaze...","","C1=CC=C(C=C1)C2C(=O)C3=C4C=CC=CC4=C(N3C5=CC=CC=C5O2)C#N","VSOAWCCMJZQUDD-UHFFFAOYSA-N","132605216",NA,"PDBC29379","773191","Present"
-"7-Oxo-7H-4-thia-3,8-diazabenzo[de]cyclopenta[b]anthracene-5-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-oxo-6-thia-9,19-diazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),4,8,10,12(20),13,15,17-nonaene-5-carboxylate","","COC(=O)C1=CC2=C(S1)C3=NC=CC4=C3C(=NC5=CC=CC=C45)C2=O","GTQVVTXGQQQEHL-UHFFFAOYSA-N","54611497",NA,"PDBC29380","706991","Present"
-"7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","B1A8BPF5U8","","C1=CC=C2C(=C1)C3=NC=NC4=C(C=CC(=C43)C2=O)C(=O)O","NARZOZMHJMTCGC-UHFFFAOYSA-N","72574",NA,"PDBC29381","84167","Present"
-"7-Oxo-phomopsolide E","","","","","","","","","","","","","","","","","","","","7-oxo-phomopsolide E","","CC=C(C)C(=O)OC1C=CC(=O)OC1COC(=O)C(C)O","FKBITCOIJAFLNT-SPJFXFQZSA-N","11380976",NA,"PDBC29382","740604","Present"
-"7-Oxo-podocarpa-8,13-triene","","","","","","","","","","","","","","","","","","","","7-oxo-podocarpa-8,11,13-triene","","CC1(CCCC2(C1CC(=O)C3=CC=CC=C32)C)C","HQVONXGPYDPEBH-OMOCHNIRSA-N","405049",NA,"PDBC29383","721893","Present"
-"7-Oxonorborna-2-ene-5,6-dicarboxylic anhydride","","","","","","","","","","","","","","","","","","","","4-Oxatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione","","C1=CC2C3C(C1C2=O)C(=O)OC3=O","NUEDAEIARMYOSI-UHFFFAOYSA-N","384298",NA,"PDBC29384","673915","Present"
-"7-Oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-Oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-carboxylic acid","","C1CC2=CC3=C(C=C2C1)C(=O)C4(C3)CC5=C(C4)C=C(C=C5)C(=O)O","BFHSIVYNIGBVEA-UHFFFAOYSA-N","384737",NA,"PDBC29385","674972","Present"
-"7-Oxospiro[1,2,3,5-tetrahydro-s-indacene-6,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-Oxospiro[1,2,3,5-tetrahydro-s-indacene-6,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid","","C1CC2=CC3=C(C=C2C1)C(=O)C4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)O","JVBHPJDVMMRBFN-UHFFFAOYSA-N","384736",NA,"PDBC29386","674971","Present"
-"7-Phenyl-18,22,29,33-tetrazaoctacyclo[16.15.0.01,6.08,17.011,16.019,32.021,30.023,28]tritriaconta-8(17),11,13,15,19,21,23,25,27,29,31-undecaene","","","","","","","","","","","","","","","","","","","","7-Phenyl-18,22,29,33-tetrazaoctacyclo[16.15.0.01,6.08,17.011,16.019,32.021,30.023,28]tritriaconta-8(17),11,13,15,19,21,23,25,27,29,31-undecaene","","C1CCC23C(C1)C(C4=C(N2C5=CC6=NC7=CC=CC=C7N=C6C=C5N3)C8=CC=CC=C8CC4)C9=CC=CC=C9","RETPDRVVZOCXCX-UHFFFAOYSA-N","378786",NA,"PDBC29387","661962","Present"
-"7-Phenyl-2,6-trihydroxyiminoadamantane","","","","","","","","","","","","","","","","","","","","7-phenyl-2,4,6-trihydroxyiminoadamantane","","C1C2CC3(CC(C2=NO)C(=NO)C1C3=NO)C4=CC=CC=C4","TVUDTBXYAJWSFW-BOITUJHSSA-N","5915859",NA,"PDBC29388","666704","Present"
-"7-Phenyl-2-(2-piperidin-1-yl-ethylamino)-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one","","","","","","","","","","","","","","","","","","","","7-Phenyl-2-(2-piperidin-1-yl-ethylamino)-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one","","C1CCN(CC1)CCNC2=NC=C3C4=C(C(=O)N(C=N4)C5=CC=CC=C5)SC3=N2","BXUBJVXOFRHPDM-UHFFFAOYSA-N","394394",NA,"PDBC29389","697794","Present"
-"7-Phenyl-2-(trifluoromethyl)-3,6-dihydroimidazo[4,5-e]pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","7-Phenyl-2-(trifluoromethyl)-3,6-dihydroimidazo[4,5-e]pyrido[3,4-b]indole","","C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C5=C(C=C4)NC(=N5)C(F)(F)F","ZWLDDIQDXGULCE-UHFFFAOYSA-N","371809",NA,"PDBC29390","646275","Present"
-"7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine","","","","","","","","","","","","","","","","","","","","7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-ylamine","","C1=CC=C(C=C1)C2=C3C(=NN2)N=C(N=N3)N","SREKPZQIQWKBDH-UHFFFAOYSA-N","6399307",NA,"PDBC29391","629487","Present"
-"7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-ol","","","","","","","","","","","","","","","","","","","","7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-ol","","C1=CC=C(C=C1)C2=NNC3=NC(=O)NN=C23","BMTIDQRTKUSHAS-UHFFFAOYSA-N","6399308",NA,"PDBC29392","629488","Present"
-"7-Phenyl-6,7-diazahexacyclo[11.3.2.01,11.02,10.05,9.012,14]octadeca-3,5,15,17-tetraene","","","","","","","","","","","","","","","","","","","","7-Phenyl-6,7-diazahexacyclo[11.3.2.01,11.02,10.05,9.012,14]octadeca-3,5,15,17-tetraene","","C1C2C3C(C=CC2=NN1C4=CC=CC=C4)C56C3C7C(C7C=C5)C=C6","YGQKBZWUJKLCJZ-UHFFFAOYSA-N","394455",NA,"PDBC29393","697929","Present"
-"7-Phenyl-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole","","","","","","","","","","","","","","","","","","","","7H-[1,2,3]Triazolo[4,5-e]-2,1,3-benzoxadiazole, 7-phenyl-","","C1=CC=C(C=C1)N2N=C3C=CC4=NON=C4C3=N2","UCJIIFNNCIAKES-UHFFFAOYSA-N","379413",NA,"PDBC29394","663955","Present"
-"7-Phenyl-8-(3,4,5-trimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole","","","","","","","","","","","","","","","","","","","","7-phenyl-8-(3,4,5-trimethoxybenzyl)- 5,8-dihydro-4H-isox...","","COC1=CC(=CC(=C1OC)OC)CN2C(=CC3=C2C4=C(CC3)C=NO4)C5=CC=CC=C5","XTYVOPJJXNRPAC-UHFFFAOYSA-N","60148310",NA,"PDBC29395","754116","Present"
-"7-Phenyl-8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole","","","","","","","","","","","","","","","","","","","","7-phenyl-8-(3,5-dimethoxybenzyl)- 5,8-dihydro-4H-isoxazo...","","COC1=CC(=CC(=C1)CN2C(=CC3=C2C4=C(CC3)C=NO4)C5=CC=CC=C5)OC","ZANAWRGCFBXBDU-UHFFFAOYSA-N","60148311",NA,"PDBC29396","754117","Present"
-"7-Phenylimidazo[1,2-a]pyrimidin-5(8H)-one","","","","","","","","","","","","","","","","","","","","AE-406/15578426","","C1=CC=C(C=C1)C2=CC(=O)N3C=CN=C3N2","LIVRRAQTIFBFHC-UHFFFAOYSA-N","379149",NA,"PDBC29397","663550","Present"
-"7-Piperazin-1-yl-1,8-naphthyridin-2-amine","","","","","","","","","","","","","","","","","","","","7-Piperazin-1-yl-1,8-naphthyridin-2-amine","","C1CN(CCN1)C2=NC3=C(C=CC(=N3)N)C=C2","BSZMBARQXRRXMK-UHFFFAOYSA-N","390346",NA,"PDBC29398","687682","Present"
-"7-Pteridinamine, 6-methyl-N-(phenylmethyl)-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-","","","","","","","","","","","","","","","","","","","","7-Pteridinamine, 6-methyl-N-(phenylmethyl)-2-(1-piperazi...","","CC1=C(N=C2C(=N1)C(=NC(=N2)N3CCNCC3)N4CCCC4)NCC5=CC=CC=C5","BTNWDRQAIZDSCJ-UHFFFAOYSA-N","403197",NA,"PDBC29399","717851","Present"
-"7-Quinolinecarboxylic acid, 2-((1E)-2-(3,4-dihydroxyphenyl)ethenyl)-8-hydroxy-","","","","","","","","","","","","","","","","","","","","7-Quinolinecarboxylic acid, 2-((1E)-2-(3,4-dihydroxyphenyl)ethenyl)-8-hydroxy-","","C1=CC2=C(C(=C1)O)N=C(C=C2)C=CC3=CC(=C(C=C3)O)O","WNDFQQZTILEGAV-QPJJXVBHSA-N","135436186",NA,"PDBC29400","711994","Present"
-"7-Sulfanyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","","","","","","","","","","","","","","","","","","","7-Sulfanylidene-6H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","C1=NN=C2N(C1=O)NC(=S)S2","RXWFDBJXNWDJNP-UHFFFAOYSA-N","5471339",NA,"PDBC29401","710584","Present"
-"7-Sulfanylchromen-2-one","","","","","","","","","","","","","","","","","","","","7-Sulfanylchromen-2-one","","C1=CC(=CC2=C1C=CC(=O)O2)S","RKEVGXWCJYWMEX-UHFFFAOYSA-N","395495",NA,"PDBC29402","700137","Present"
-"7-Tert-Butyl-5,8-dihydroxy-3,4-dihydro-1(2H)-naphthalenone","","","","","","","","","","","","","","","","","","","","7-Tert-Butyl-5,8-dihydroxy-3,4-dihydro-1(2H)-naphthalenone","","CC(C)(C)C1=CC(=C2CCCC(=O)C2=C1O)O","ISZCOYNVAICHNE-UHFFFAOYSA-N","361592",NA,"PDBC29403","624773","Present"
-"7-Tert-butyl-9,9,9',9'-tetrakis(trifluoromethyl)-7,7'-spirobi[8-oxa-7-silanuidabicyclo[4.3.0]nona-1,3,5-triene];tetramethylazanium","","","","","","","","","","","","","","","","","","","","7-Tert-butyl-9,9,9',9'-tetrakis(trifluoromethyl)-7,7'-spirobi[8-oxa-7-silanuidabicyclo[4.3.0]nona-1,3,5-triene];tetramethylazanium","","CC(C)(C)[Si-]12(C3=CC=CC=C3C(O1)(C(F)(F)F)C(F)(F)F)C4=CC=CC=C4C(O2)(C(F)(F)F)C(F)(F)F.C[N+](C)(C)C","FYIKPMSARTZTTL-UHFFFAOYSA-N","358630",NA,"PDBC29404","618641","Present"
-"7-[(2,3,4-Trimethoxyphenyl)methyl]benzimidazolo[1,2-a]quinolin-7-ium-3-amine","","","","","","","","","","","","","","","","","","","","7-(2,3,4-trimethoxybenzyl)-3-aminobenzimidazo[3,2-a]quin...","","COC1=C(C(=C(C=C1)C[N+]2=C3C=CC4=C(N3C5=CC=CC=C52)C=CC(=C4)N)OC)OC","MVOCOAKCAPUOLV-UHFFFAOYSA-N","135260648",NA,"PDBC29405","788870","Present"
-"7-[(2,4-Dichlorophenyl)methyl]-4,6a-dihydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile","","","","","","","","","","","","","","","","","","","","7-[(2,4-Dichlorophenyl)methyl]-4,6a-dihydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile","","CC1=C(C23C(=C(C=CC2(N1CC4=C(C=C(C=C4)Cl)Cl)O)O)C(=O)N(C3=O)C5=CC=CC=C5)C#N","FFRFLLIPNOSRAO-UHFFFAOYSA-N","54746662",NA,"PDBC29406","740843","Present"
-"7-[(2-Bromoanilino)-phenylmethyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","7-{[(2-Bromophenyl)amino](phenyl)methyl}quinolin-8-ol","","C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=C4Br","ZTTCRWKPIONBEL-UHFFFAOYSA-N","256750",NA,"PDBC29407","84086","Present"
-"7-[(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid","","","","","","","","","","","","","","","","","","","","7-[(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)O","ODOJGWXYQYRBNB-UHFFFAOYSA-N","413221",NA,"PDBC29408","45580","Present"
-"7-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","7-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(=NO)C4=CC=C(C=C4)F","HAMDNLIOFJPNKY-QQTULTPQSA-N","24203683",NA,"PDBC29409","729150","Present"
-"7-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-3-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","7-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-3-phenylchromen-4-one","","C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC(=NO)C4=CC=C(C=C4)F","JBAIQISLXKYHKG-DAFNUICNSA-N","24202959",NA,"PDBC29410","726391","Present"
-"7-[(2E)-2-(5-Oxooxolan-2-ylidene)ethoxy]chromen-2-one","","","","","","","","","","","","","","","","","","","","7-[(2E)-2-(5-Oxooxolan-2-ylidene)ethoxy]chromen-2-one","","C1CC(=O)OC1=CCOC2=CC3=C(C=C2)C=CC(=O)O3","XVVQLBLKFRGBEN-YRNVUSSQSA-N","24205382",NA,"PDBC29411","735334","Present"
-"7-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","7-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","COC1=CC=C(C=C1)C(=NO)COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4","ZNVGPVCKFZMXRV-DAFNUICNSA-N","24203684",NA,"PDBC29412","729151","Present"
-"7-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-3-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","7-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-3-phenylchromen-4-one","","COC1=CC=C(C=C1)C(=NO)COC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4","ZQWGHAQDZITAKQ-LVWGJNHUSA-N","24202960",NA,"PDBC29413","726392","Present"
-"7-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","7-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(=NO)C4=CC=CC=C4","FEOULSRDTCPAHX-GFMRDNFCSA-N","24203682",NA,"PDBC29414","729149","Present"
-"7-[(2E)-2-Hydroxyimino-2-phenylethoxy]-3-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","7-[(2E)-2-Hydroxyimino-2-phenylethoxy]-3-phenylchromen-4-one","","C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC(=NO)C4=CC=CC=C4","HTIKZAXQEFXMHI-FLFQWRMESA-N","24202958",NA,"PDBC29415","726390","Present"
-"7-[(2E)-2-Methoxyiminopropoxy]-3-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","7-[(2E)-2-Methoxyiminopropoxy]-3-phenylchromen-4-one","","CC(=NOC)COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3","YBARNPXKIUAWTO-DEDYPNTBSA-N","24202961",NA,"PDBC29416","726393","Present"
-"7-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","7-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one","","CON=C(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)F","AXYAFZHFUIASBL-YYADALCUSA-N","24205365",NA,"PDBC29417","735316","Present"
-"7-[(2Z)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","","","","","","","","","","","","","","","","","","","7-[(2Z)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one","","COC1=CC=C(C=C1)C(=NOC)COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4","FBRWVMFXRJICDQ-XTCLZLMSSA-N","24205366",NA,"PDBC29418","735317","Present"
-"7-[(3-Fluorophenyl)methoxy]-9-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-1-methylpyrido[3,4-b]indol-2-ium","","","","","","","","","","","","","","","","","","","","9-(3-fluorobenzyl)-7-(3-fluorobenzyloxy)-2-(4-fluorobenz...","","CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4=CC(=CC=C4)F)CC5=CC(=CC=C5)F)CC6=CC=C(C=C6)F","PTWVEJSQAMOHPV-UHFFFAOYSA-N","54766740",NA,"PDBC29419","760181","Present"
-"7-[(E)-2-(2-Furyl)vinyl]-2-methyl-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","7-[(E)-2-(2-Furyl)vinyl]-2-methyl-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","CC1=NN2C(=O)C(=C(N=C2S1)C=CC3=CC=CO3)[N+](=O)[O-]","WZMNFMWWHPXWGV-SNAWJCMRSA-N","6104895",NA,"PDBC29420","677198","Present"
-"7-[(E)-2-(4-Fluorophenyl)vinyl]-2-methyl-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","","","","","","","","","","","","","","","","","","","7-[(E)-2-(4-Fluorophenyl)vinyl]-2-methyl-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one","","CC1=NN2C(=O)C(=C(N=C2S1)C=CC3=CC=C(C=C3)F)[N+](=O)[O-]","MKUQGFSCXMUTBF-QPJJXVBHSA-N","5788756",NA,"PDBC29421","677197","Present"
-"7-[(E)-Dimethylaminoazo]-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","7-[(E)-Dimethylaminoazo]-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde","","CC1CC(=O)NC2=C(N1C=O)C=C(C=C2)N=NN(C)C","VYDUJGMWUAWQOE-UHFFFAOYSA-N","388598",NA,"PDBC29422","683607","Present"
-"7-[(Naphthalen-1-ylamino)-phenylmethyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","7-[(Naphthalen-1-ylamino)(phenyl)methyl]quinolin-8-ol","","C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC5=CC=CC=C54","YDLXQKOBCIJTTR-UHFFFAOYSA-N","256754",NA,"PDBC29423","84092","Present"
-"7-[(Z)-2-(6-Ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol;iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-methyl-7-quinoly...","","CCOC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=C(C4=C(C=CC=N4)C(=C3)C)O)C.[I-]","SKKWOFYFAZFNEG-UHFFFAOYSA-N","135534477",NA,"PDBC29424","86372","Present"
-"7-[2,2-Dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","7-[2,2-Dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine","","CC1(OC2C(OC(C2O1)C3=CNC4=C3N=CN=C4N)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C","GDNMIKWGAZAXPK-UHFFFAOYSA-N","373596",NA,"PDBC29425","650075","Present"
-"7-[2-(4-Chlorophenyl)ethyl]-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","","","","","","","","","","","","","","","","","","","7-[2-(4-Chlorophenyl)ethyl]-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile","","CC1=C(N(C2=C1S(=O)(=O)C(=NN2)C#N)CCC3=CC=C(C=C3)Cl)C","CZITXXIWQYEWME-UHFFFAOYSA-N","392821",NA,"PDBC29426","693798","Present"
-"7-[2-(Diethylamino)ethoxy]-3-(4-methoxyphenyl)-4-phenyl-2h-chromen-2-one","","","","","","","","","","","","","","","","","","","","7-[2-(Diethylamino)ethoxy]-3-(4-methoxyphenyl)-4-phenyl-2h-chromen-2-one","","CCN(CC)CCOC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)OC)C4=CC=CC=C4","SRPNFNKUZFCGIQ-UHFFFAOYSA-N","265976",NA,"PDBC29427","102845","Present"
-"7-[2-(Diethylamino)ethylsulfanyl]-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione","","","","","","","","","","","","","","","","","","","","7-(2-Diethylaminoethylsulfanyl)-5-imino-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione","","CCN(CC)CCSC1=NC2=C(C(=N)N1C3=CC=CC=C3)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5","PNNPNHLEFUOCGE-UHFFFAOYSA-N","396734",NA,"PDBC29428","703444","Present"
-"7-[2-[(5-Chloro-1-methyl-6-oxo-pyridazin-4-yl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","7-[2-[(5-Chloro-1-methyl-6-oxo-pyridazin-4-yl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=C(C(=O)N(N=C3)C)Cl","GMCDTCCLPVHDCL-UHFFFAOYSA-N","387904",NA,"PDBC29429","682136","Present"
-"7-[2-[Cyclohexyl(methyl)amino]ethyl]-1,3-dimethylxanthine","","","","","","","","","","","","","","","","","","","","7-[2-[Cyclohexyl(methyl)amino]ethyl]-1,3-dimethylxanthine","","CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C3CCCCC3","CABVCHSHFCSWNL-UHFFFAOYSA-N","216339",NA,"PDBC29430","677635","Present"
-"7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazo[4,5-d]triazin-4-one","","","","","","","","","","","","","","","","","","","","4H-Imidazo[4,5-d]-v-triazin-4-one, 3,7-dihydro-7-.beta.-...","","C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=NNC2=O","LSMBOEFDMAIXTM-UHFFFAOYSA-N","135452424",NA,"PDBC29431","158901","Present"
-"7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-thieno[3,4-d]pyrimidine-4-thione","","","","","","","","","","","","","","","","","","","","7-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-thieno[3,4-d]pyrimidine-4-thione","","C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)NC=NC2=S","WNIQCHQWBKTBCU-UHFFFAOYSA-N","3005067",NA,"PDBC29432","670036","Present"
-"7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile","","","","","","","","","","","","","","","","","","","","7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile","","CC(=CCNC1=C2C(=CN(C2=NC=N1)C3C(C(C(O3)CO)O)O)C#N)C","TXNNQVGUHWYSSM-UHFFFAOYSA-N","289018",NA,"PDBC29433","150412","Present"
-"7-[3-(4-Methylpiperazin-1-yl)propyl]-5-phenyl-10-thia-2,3,4,7,12-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11(16),12,14-hexaen-8-one","","","","","","","","","","","","","","","","","","","","7-[3-(4-Methylpiperazin-1-yl)propyl]-5-phenyl-10-thia-2,3,4,7,12-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11(16),12,14-hexaen-8-one","","CN1CCN(CC1)CCCN2C3=C(N=NN3C4=C(C2=O)SC5=C4C=CC=N5)C6=CC=CC=C6","OUJOJRCSAYLTBO-UHFFFAOYSA-N","60148350",NA,"PDBC29434","754172","Present"
-"7-[3-(Cyanomethyl)-4-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-[3-(Cyanomethyl)-4-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid","","CN1CCN(CC1CC#N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F","XXITWLIIUOXLSG-UHFFFAOYSA-N","376891",NA,"PDBC29435","658027","Present"
-"7-[3-(Dimethylamino)-2-methylpropyl]sulfanyl-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione","","","","","","","","","","","","","","","","","","","","7-[3-(Dimethylamino)-2-methylpropyl]sulfanyl-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione","","CC(CN(C)C)CSC1=NC2=C(C(=N)N1C3=CC=CC=C3)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5","DRQIPGIMYLZASW-UHFFFAOYSA-N","396738",NA,"PDBC29436","703448","Present"
-"7-[3-(Dimethylamino)propylsulfanyl]-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione","","","","","","","","","","","","","","","","","","","","7-(3-Dimethylaminopropylsulfanyl)-5-imino-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione","","CN(C)CCCSC1=NC2=C(C(=N)N1C3=CC=CC=C3)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5","YJQVXHUAHNHGNJ-UHFFFAOYSA-N","396737",NA,"PDBC29437","703447","Present"
-"7-[3-[2-[3-(7-Hydroxyhept-5-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]hept-2-yn-1-ol","","","","","","","","","","","","","","","","","","","","7-[3-[2-[3-(7-Hydroxyhept-5-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]hept-2-yn-1-ol","","C1=CC=C(C(=C1)C#CCOCCCCC#CCO)C#CCOCCCCC#CCO","MIJIUSNZWWXXBI-UHFFFAOYSA-N","24204212",NA,"PDBC29438","730973","Present"
-"7-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propylsulfanyl]-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione","","","","","","","","","","","","","","","","","","","","7-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propylsulfanyl]-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione","","C1CN(CCN1CCCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6)C7=CC(=CC=C7)Cl","XHQPORMUYBMPOJ-UHFFFAOYSA-N","396740",NA,"PDBC29439","703450","Present"
-"7-[3-[4--(4-Fluorophenyl-1-piperazinyl]2-hydroxypropoxy]-2,2-dimethylbenzofuran hydrochloride","","","","","","","","","","","","","","","","","","","","7-[3-[4--(4-Fluorophenyl-1-piperazinyl]2-hydroxypropoxy]...","","CC1(CC2=C(O1)C(=CC=C2)OCC(CN3CCN(CC3)C4=CC=C(C=C4)F)O)C.Cl","AVHVACFYYHTFQJ-UHFFFAOYSA-N","24204251",NA,"PDBC29440","731115","Present"
-"7-[4-(2-Hydroxyethyl)piperazin-1-yl]-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-[4-(2-Hydroxyethyl)piperazin-1-yl]-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid","","C1CN(CCN1CCO)C2=CC3=C4C(=C2)SCCN4C=C(C3=O)C(=O)O","GXFCQEKUIXNUFP-UHFFFAOYSA-N","358191",NA,"PDBC29441","618068","Present"
-"7-[4-(3,4-Dimethoxybenzoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one","","","","","","","","","","","","","","","","","","","","7-[4-(3,4-Dimethoxybenzoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one","","COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CO4)OC","QRLZVRPHUMJNBF-UHFFFAOYSA-N","393052",NA,"PDBC29442","694336","Present"
-"7-[4-(4-Methoxybenzoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one","","","","","","","","","","","","","","","","","","","","7-[4-(4-Methoxybenzoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one","","COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CO4","MZRXIKNSJHGRAC-UHFFFAOYSA-N","393051",NA,"PDBC29443","694335","Present"
-"7-[4-(Dimethylamino)-2,1,3-benzoselenadiazol-7-yl]-N,N-dimethyl-2,1,3-benzoselenadiazol-4-amine","","","","","","","","","","","","","","","","","","","","7-[4-(Dimethylamino)-2,1,3-benzoselenadiazol-7-yl]-N,N-dimethyl-2,1,3-benzoselenadiazol-4-amine","","CN(C)C1=CC=C(C2=N[Se]N=C12)C3=CC=C(C4=N[Se]N=C34)N(C)C","FDAJYKOMUMEFHC-UHFFFAOYSA-N","385095",NA,"PDBC29444","676030","Present"
-"7-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-[(2-nitrophenyl)methyl]imidazo[4,5-d]triazin-4-one","","","","","","","","","","","","","","","","","","","","7-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-nitrophenyl)methyl]imidazo[4,5-d]triazin-4-one","","C1C(C(OC1N2C=NC3=C2N=NN(C3=O)CC4=CC=CC=C4[N+](=O)[O-])CO)O","PQTBTUFOKXIBRS-UHFFFAOYSA-N","390776",NA,"PDBC29445","688541","Present"
-"7-[4-[(3-Amino-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-7-yl)oxy]butyl]-1,3-dimethylpurine-2,6-dione","","","","","","","","","","","","","","","","","","","","7-[4-[(3-Amino-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-7-yl)oxy]butyl]-1,3-dimethylpurine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCOC3=CC4=C(C=C3)[N+](=C(N=[N+]4[O-])N)[O-]","WPHHOPYGROZWOY-UHFFFAOYSA-N","135409232",NA,"PDBC29446","670994","Present"
-"7-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]-4H-1,4-benzoxazin-3-one","","","","","","","","","","","","","","","","","","","","7-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]-4H-1,4-benzoxazin-3-one","","C1CN(CCN1C2=CC3=C(C=C2)NC(=O)CO3)C4=CC=CC(=C4)C(F)(F)F","ANQBYKZRGBKZKF-UHFFFAOYSA-N","393054",NA,"PDBC29447","694338","Present"
-"7-[4-[[(3Z)-3-[4-Amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-chloro-2-oxo-indolin-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-[4-[[(3Z)-3-[4-Amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-chloro-2-oxoindol-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid","","CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4C5=C(C=C(C=C5)Cl)C(=NC6=NC=C(C(=N6)N)CC7=CC(=C(C(=C7)OC)OC)OC)C4=O)F)C(=O)O","NHAYDCQKWSASQT-SWYSEXKRSA-N","9572280",NA,"PDBC29448","710111","Present"
-"7-[4-[[(3Z)-5-Chloro-2-oxo-3-(pyridine-4-carbonylhydrazono)indolin-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-[4-[[5-Chloro-2-hydroxy-3-(pyridine-4-carbonyldiazenyl)indol-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid","","CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4C5=C(C=C(C=C5)Cl)C(=C4O)N=NC(=O)C6=CC=NC=C6)F)C(=O)O","NJNICGKSEKXTIQ-UHFFFAOYSA-N","399393",NA,"PDBC29449","710112","Present"
-"7-[4-[[4-(4-Bromophenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(4-(4-(4-bromophenyl)thiazol-2-ylcarbamoyl)piperazin-1...","","C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NC5=NC(=CS5)C6=CC=C(C=C6)Br)F)C(=O)O","JYHBLCUTFFJFRI-UHFFFAOYSA-N","155815711",NA,"PDBC29450","803320","Present"
-"7-[4-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(4-(N-(4-(4-chlorophenyl)thiazol-2-yl)-N-ethylcarbamoy...","","CCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","AWDHVIHZFBXINI-UHFFFAOYSA-N","155815354",NA,"PDBC29451","797011","Present"
-"7-[4-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","7-(4-((4-(4-chlorophenyl)thiazol-2-yl)carbamoyl)piperazi...","","C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NC5=NC(=CS5)C6=CC=C(C=C6)Cl)F)C(=O)O","AJEMQBPSTNNWDD-UHFFFAOYSA-N","155808942",NA,"PDBC29452","783682","Present"
-"7-[5-(3-Chloro-4-fluorophenyl)furan-2-yl]-3-[(4-chlorophenyl)methyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","","","","","","","","","","","","","","","","","","","7-[5-(3-Chloro-4-fluorophenyl)furan-2-yl]-3-[(4-chlorophenyl)methyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one","","C1=CC(=CC=C1CC2=NN=C3N(C2=O)N=C(S3)C4=CC=C(O4)C5=CC(=C(C=C5)F)Cl)Cl","HJOSOBRZSWCEAK-UHFFFAOYSA-N","400796",NA,"PDBC29453","713302","Present"
-"7-[6-[5-[(2,4-Difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]quinolin-4-yl]-N-hydroxyhept-6-ynamide","","","","","","","","","","","","","","","","","","","","7-(6-(5-(2,4-difluorophenylsulfonamido)-6-methoxypyridin...","","COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCCCCC(=O)NO)NS(=O)(=O)C4=C(C=C(C=C4)F)F","HEXJQWUHJDNJFJ-UHFFFAOYSA-N","155813265",NA,"PDBC29454","783229","Present"
-"7-[6-[5-[(2,4-Difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]quinolin-4-yl]hept-6-ynoic acid","","","","","","","","","","","","","","","","","","","","7-(6-(5-(2,4-difluorophenylsulfonamido)-6-methoxypyridin-3-yl)quinolin-4-yl)hept-6-ynoic acid","","COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCCCCC(=O)O)NS(=O)(=O)C4=C(C=C(C=C4)F)F","HBUGRNRXSFNZNC-UHFFFAOYSA-N","155812288",NA,"PDBC29455","783230","Present"
-"7-[Bis(2-hydroxyethyl)amino]-1-ethyl-1,8-naphthyridin-2-one","","","","","","","","","","","","","","","","","","","","7-[Bis(2-hydroxyethyl)amino]-1-ethyl-1,8-naphthyridin-2-one","","CCN1C(=O)C=CC2=C1N=C(C=C2)N(CCO)CCO","RPENWGRTACAKPS-UHFFFAOYSA-N","388901",NA,"PDBC29456","684133","Present"
-"7-[Phenyl(pyridin-2-ylamino)methyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","Enamine_000429","","C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=N4","WHPVVFZPXKODBB-UHFFFAOYSA-N","256756",NA,"PDBC29457","84094","Present"
-"7-[Phenyl-(quinolin-8-ylamino)methyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","8-Quinolinol, 7-[.alpha.-(8-quinolylamino)benzyl]-","","C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC5=C4N=CC=C5","RBSPENDGIMQZGB-UHFFFAOYSA-N","256758",NA,"PDBC29458","84096","Present"
-"7-[[(2E)-3,7-Dimethyl-6-oxo-7-hydroxy-2-octenyl]oxy]coumarin","","","","","","","","","","","","","","","","","","","","7-[[(2E)-3,7-Dimethyl-6-oxo-7-hydroxy-2-octenyl]oxy]coumarin","","CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(=O)C(C)(C)O","YSRYKTUWDVLRLA-JLHYYAGUSA-N","5358858",NA,"PDBC29459","286307","Present"
-"7-[[(3S,4R)-3-Fluoropiperidin-4-yl]methyl]-2-[(Z)-indazol-3-ylidenemethyl]-6-methoxy-1-benzofuran-3-ol","","","","","","","","","","","","","","","","","","","","(Z)-2-((1H-indazol-3-yl)methylene)-7-(((3S,4R)-3-fluorop...","","COC1=C(C2=C(C=C1)C(=C(O2)C=C3C4=CC=CC=C4N=N3)O)CC5CCNCC5F","NHUDNHXURSBRHK-UJPVDPKUSA-N","155809188",NA,"PDBC29460","787771","Present"
-"7-[alpha-[(4-Methyl-2-pyridyl)amino]benzyl]-8-quinolinol","","","","","","","","","","","","","","","","","","","","7-[.ALPHA.-[(4-METHYL-2-PYRIDYL)AMINO]BENZYL]-8-QUINOLINOL","","CC1=CC(=NC=C1)NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O","PKUYZMYEHWGCMG-UHFFFAOYSA-N","219566",NA,"PDBC29461","1014","Present"
-"7-alpha-Amino-brefeldin A hydrochloride","","","","","","","","","","","","","","","","","","","","7-.alpha.-Amino-brefeldin A hydrochloride","","CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)N.Cl","FTWCTKUHLFMWGZ-HJUXGNKPSA-N","24202488",NA,"PDBC29462","671437","Present"
-"7-beta-D-Ribofuranosyl-4-oxo-3H-thieno-[3,4-d]pyrimidine","","","","","","","","","","","","","","","","","","","","7-.beta.-D-Ribofuranosyl-4-oxo-3H-thieno-[3,4-d]pyrimidine","","C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)N=CNC2=O","UDETWAIEMXXFKP-UHFFFAOYSA-N","135580413",NA,"PDBC29463","735827","Present"
-"7-diphenylphosphoryl-10-phenyl-spiro[4.5]dec-9-ene","","","","","","","","","","","","","","","","","","","","7-diphenylphosphoryl-10-phenyl-spiro[4.5]dec-9-ene","","C1CCC2(C1)CC(CC=C2C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5","JAOHHUSNVAIBDV-UHFFFAOYSA-N","364918",NA,"PDBC29464","631805","Present"
-"7-fluoro-3-trifluoromethyl-6-piperazinyl-2-propanoylquio...","","","","","","","","","","","","","","","","","","","","7-fluoro-3-trifluoromethyl-6-piperazinyl-2-propanoylquio...","","CCC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)N3CCNCC3)[O-])C(F)(F)F","UIXJAOUOYJRQCU-UHFFFAOYSA-N","24205716",NA,"PDBC29465","736448","Present"
-"7-hydroxy-3,4'-dimethoxy flavone","","","","","","","","","","","","","","","","","","","","7-hydroxy-3,4'-dimethoxy flavone","","COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)OC","MEDOAKSPIIOKFU-UHFFFAOYSA-N","5378518",NA,"PDBC29466","123383","Present"
-"7-{[2-(Dimethylamino)ethyl]amino}-5-imino-1,6-triphenyl-5,6-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dithione","","","","","","","","","","","","","","","","","","","","7-{[2-(dimethylamino)ethyl]amino}-5-imino-1,3,6-tripheny...","","CN(C)CCN=C1N=C2C(=C(N1C3=CC=CC=C3)N)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5","RXAIWAWRKCHFOA-UHFFFAOYSA-N","45029397",NA,"PDBC29467","746683","Present"
-"7-{[3-(Dibutylamino)propyl]amino}-5-imino-1,6-triphenyl-5,6-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dithione","","","","","","","","","","","","","","","","","","","","7-{[3-(dibutylamino)propyl]amino}-5-imino-1,3,6-tripheny...","","CCCCN(CCCC)CCCN=C1N=C2C(=C(N1C3=CC=CC=C3)N)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5","IGBCYCNBGRBOKC-UHFFFAOYSA-N","45029398",NA,"PDBC29468","746684","Present"
-"7152AD","","","","","","","","","","","","","","","","","","","","7152AD","","CC1=C(C(=O)N(N1)C(=N)N)CCO","BUUBDDAVRQDZCO-UHFFFAOYSA-N","380618",NA,"PDBC29469","666293","Present"
-"7153AD","","","","","","","","","","","","","","","","","","","","7153AD","","C1CCC2=C(C1)C(=O)N(N2)C(=N)N","JSUZAXZCHGYTBO-UHFFFAOYSA-N","379747",NA,"PDBC29470","664719","Present"
-"7E-Mycosinyl acetate","","","","","","","","","","","","","","","","","","","","BOHLMANN K4097///Santolina polyacetylene 18","","CC#CC#CC=C1C=CC2(O1)C(C=CO2)OC(=O)C","XQVRVLVORPSYNU-NTUHNPAUSA-N","5458646",NA,"PDBC29471","302308///626608","Present"
-"7H,8H-Diphenaleno[1,2-b:2',1'-d]furan-7,8-dione","","","","","","","","","","","","","","","","","","","","3-Oxaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene-14,17-dione","","C1=CC2=C3C(=C1)C4=C(C5=C(O4)C6=CC=CC7=C6C(=CC=C7)C5=O)C(=O)C3=CC=C2","BSKLBGYJSOVFNV-UHFFFAOYSA-N","363310",NA,"PDBC29472","628129","Present"
-"7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-3-methanamine, N-(4-chlorophenyl)-6-(2,4-dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylene]-, (7Z)-","","","","","","","","","","","","","","","","","","","","4-Chloro-N-[[(7Z)-6-(2,4-dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline","","COC1=C(C=C(C=C1)C=C2C(=NN3C(=NN=C3S2)CNC4=CC=C(C=C4)Cl)C5=CC(=C(C=C5Cl)Cl)F)OC","PGHOGYJHWIXBAR-RMORIDSASA-N","5471729",NA,"PDBC29473","713320","Present"
-"7H-1,3,7-Triaza-2-thia-as-indacene","","","","","","","","","","","","","","","","","","","","7H-1,3,7-Triaza-2-thia-as-indacene","","C1=C2C=NC=C2C3=NSNC3=C1","HOPSMIMDQWNCNX-UHFFFAOYSA-N","385100",NA,"PDBC29474","676035","Present"
-"7H-1,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3,3'-(1,8-octanediyl)bis[6-phenyl-","","","","","","","","","","","","","","","","","","","","7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3,3'-(1,8-oc...","","C1C(=NN2C(=NN=C2S1)CCCCCCCCC3=NN=C4N3N=C(CS4)C5=CC=CC=C5)C6=CC=CC=C6","YYPLCJFGFBNWDA-UHFFFAOYSA-N","395661",NA,"PDBC29475","700443","Present"
-"7H-Benzo[c]fluorene-6-carboxylic acid, 7-oxo-","","","","","","","","","","","","","","","","","","","","7-Oxobenzo[c]fluorene-6-carboxylic acid","","C1=CC=C2C(=C1)C=C(C3=C2C4=CC=CC=C4C3=O)C(=O)O","IAECUPAAKIRADL-UHFFFAOYSA-N","328736",NA,"PDBC29476","308809","Present"
-"7H-Benzo[c]phenothiazine, 7-chloroacetyl-","","","","","","","","","","","","","","","","","","","","7H-Benzo[c]phenothiazine, 7-chloroacetyl-","","C1=CC=C2C(=C1)C=CC3=C2SC4=CC=CC=C4N3C(=O)CCl","FMZRZAWQHRDTEP-UHFFFAOYSA-N","251355",NA,"PDBC29477","71677","Present"
-"7H-Benzocycloheptene-1,4,7-trione","","","","","","","","","","","","","","","","","","","","1H-Benzocycloheptene-1,4,7-trione, 4,7-dihydro-","","C1=CC2=C(C=CC1=O)C(=O)C=CC2=O","HGNHRPJEEMWOBO-UHFFFAOYSA-N","359306",NA,"PDBC29478","620056","Present"
-"7H-Dibenzo[a, 5,6-dihydro-9,10,11-trimethoxy-3-(methylthio)-","","","","","","","","","","","","","","","","","","","","7H-Dibenzo[a,c]cyclohepten-5-ol, 5,6-dihydro- 9,10,11-tr...","","COC1=C(C(=C2C(=C1)CCC(C3=C2C=CC(=C3)SC)O)OC)OC","HIWNZGHQROQUOB-UHFFFAOYSA-N","393604",NA,"PDBC29479","695798","Present"
-"7H-Dibenzo[a, 9,10,11-trimethoxy-3-(methylthio)-","","","","","","","","","","","","","","","","","","","","7H-Dibenzo[a,c]cyclohepten-5(6H)-one, 9,10,11- trimethox...","","COC1=C(C(=C2C(=C1)CCC(=O)C3=C2C=CC(=C3)SC)OC)OC","VWQSIMWTAVJGIO-UHFFFAOYSA-N","393605",NA,"PDBC29480","695799","Present"
-"7H-Imidazo(1,2-c)pyrrolo(3,2-e)pyrimidine-9-carbonitrile, 8-bromo-7-pentofuranosyl-","","","","","","","","","","","","","","","","","","","","11-Bromo-10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carbonitrile","","C1=CN2C=NC3=C(C2=N1)C(=C(N3C4C(C(C(O4)CO)O)O)Br)C#N","DZJDCAKSQKLVEF-UHFFFAOYSA-N","330411",NA,"PDBC29481","318814","Present"
-"7H-Purin-6-ol, 8,9-dihydro-8-imino-2-(methylthio)-9-pentopyranosyl-","","","","","","","","","","","","","","","","","","","","2-(6-Hydroxy-8-imino-2-methylsulfanyl-7H-purin-9-yl)tetrahydropyran-3,4,5-triol","","CSC1=NC2=C(C(=O)N1)N=C(N2C3C(C(C(CO3)O)O)O)N","GDRCBFJQUZIOSW-UHFFFAOYSA-N","135429973",NA,"PDBC29482","628727","Present"
-"7H-Purine, 6-[(4-pyridinylmethyl)thio]-","","","","","","","","","","","","","","","","","","","","7H-Purine, 6-[(4-pyridinylmethyl)thio]-","","C1=CN=CC=C1CSC2=NC=NC3=C2NC=N3","RRVUXHSNKGVUPF-UHFFFAOYSA-N","3246461",NA,"PDBC29483","133593","Present"
-"7H-Purine, 6-chloro-7-[2-deoxy-3-O-(4-methylphenyl)-4-(4-methylphenoxy)-beta-D-erythrofuranosyl]-","","","","","","","","","","","","","","","","","","","","7H-Purine, 6-chloro-7-[2-deoxy-3-O-(4-methylphenyl)- 4-(...","","CC1=CC=C(C=C1)OC2CC(OC2OC3=CC=C(C=C3)C)N4C=NC5=C4C(=NC=N5)Cl","CSDLBWYBGLSQRE-UHFFFAOYSA-N","389531",NA,"PDBC29484","685828","Present"
-"7H-Purine,6-dichloro-7-[2-deoxy-3,5-O-bis(4-methylphenyl)-beta-D-erythropentofuranosyl]-","","","","","","","","","","","","","","","","","","","","7H-Purine, 2,6-dichloro- 7-[2-deoxy-3,5-O-bis(4-methylph...","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3C(=NC(=N4)Cl)Cl)OC5=CC=C(C=C5)C","BVFHGAPJCPMNRY-UHFFFAOYSA-N","389535",NA,"PDBC29485","685833","Present"
-"7H-Pyrido[3, 2-(3-chloro-phenyl)-5,6-dihydro-4-phenyl-","","","","","","","","","","","","","","","","","","","","7H-Pyrido[3,2-d][1]benzazepine-6-thione, 2-(3-chloro- ph...","","C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=CC=C4)C5=CC(=CC=C5)Cl","JKBPDRHLIWKTFH-UHFFFAOYSA-N","4998423",NA,"PDBC29486","684481","Present"
-"7H-Pyrido[3, 4-(4-bromo-phenyl)-5,6-dihydro-2-phenyl-","","","","","","","","","","","","","","","","","","","","7H-Pyrido[3,2-d][1]benzazepine-6-thione, 4-(4-bromo- phe...","","C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=C(C=C4)Br)C5=CC=CC=C5","FYOHNOBXPNVVRE-UHFFFAOYSA-N","3939015",NA,"PDBC29487","684459","Present"
-"7H-Pyrido[4,3,2-kl]acridine-2,3-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-14,15-dicarboxylate","","COC(=O)C1=C(N=C2C3=CC=CC=C3NC4=CC=CC1=C42)C(=O)OC","BBGXJRFDQAJPRA-UHFFFAOYSA-N","5478689",NA,"PDBC29488","670696","Present"
-"7H-Pyrido[4,3-c]carbazol-6-ylmethanol","","","","","","","","","","","","","","","","","","","","7H-Pyrido[4,3-c]carbazol-6-ylmethanol","","C1=CC=C2C(=C1)C3=C4C=NC=CC4=CC(=C3N2)CO","HOUVAUDXFZGBEW-UHFFFAOYSA-N","364732",NA,"PDBC29489","631390","Present"
-"7H-Pyrrolo[2, 4-(hydroxyamino)-7-beta-D-ribofuranosyl-, monohydrochloride","","","","","","","","","","","","","","","","","","","","7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamidoxime, 4-(hydrox...","","C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)NO)C(=NO)N.Cl","VGWBNMBYXAYRFO-UHFFFAOYSA-N","54606606",NA,"PDBC29490","154829","Present"
-"7H-Pyrrolo[2, 4-amino-7-beta-D-ribofuranosyl-, 3-oxide","","","","","","","","","","","","","","","","","","","","7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-.be...","","C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN(C2=N)O)C(=O)N","KSUJYFMVMRJYAU-UHFFFAOYSA-N","3691874",NA,"PDBC29491","116280","Present"
-"7H-Pyrrolo[2,3-d]pyrimidine, 5-(4-chlorophenyl)-4-hydrazino-7-(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","7H-Pyrrolo[2,3-d]pyrimidine, 5-(4-chlorophenyl)-4-hydrazino-7-(4-methylphenyl)-","","CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NN)C4=CC=C(C=C4)Cl","UEMNOEQOZQKKOV-UHFFFAOYSA-N","380843",NA,"PDBC29492","666583","Present"
-"7H-Pyrrolo[2,3-d]pyrimidinium, 4-amino-5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)-, iodide","","","","","","","","","","","","","","","","","","","","7H-Pyrrolo[2,3-d]pyrimidinium, 4-amino-5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)-, iodide","","CC[N+]1=C2C(=C(N=C1)N)C(=CN2C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl.[I-]","DWADVQLBFRZPEI-UHFFFAOYSA-N","380844",NA,"PDBC29493","666584","Present"
-"7H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 7-beta-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","7H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 7-.be...","","C1=CN(C2=C1C3=NC=NN3C=N2)C4C(C(C(O4)CO)O)O","LOUXALRPXGPCFM-UHFFFAOYSA-N","328780",NA,"PDBC29494","308881","Present"
-"7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine","","","","","","","","","","","","","","","","","","","","TCMDC-124301","","C1=C2C(=C(N=C(N2)N)N)C3=CC=NC3=C1","TYJMBWNFQVCGFT-UHFFFAOYSA-N","334409",NA,"PDBC29495","339578","Present"
-"7H-Pyrrolo[3,4-diamine, 7-[(3-nitrophenyl)methyl]-, monoacetate","","","","","","","","","","","","","","","","","","","","7H-Pyrrolo[3,2-f]quinazoline-2,4-diamine, 7-[(3-nitrophe...","","CC(=O)O.C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N","UFFKDOLCUFDMQB-UHFFFAOYSA-N","334410",NA,"PDBC29496","339579","Present"
-"7H-Thiazolo(3,2-a)pyrimidin-7-one, 3-(bromomethyl)-5-((3,5-dimethylphenyl)methyl)-6-ethyl-2,3-dihydro-","","","","","","","","","","","","","","","","","","","","3-(Bromomethyl)-5-(3,5-dimethylbenzyl)-6-ethyl-2,3-dihydro-7h-[1,3]thiazolo[3,2-a]pyrimidin-7-one","","CCC1=C(N2C(CSC2=NC1=O)CBr)CC3=CC(=CC(=C3)C)C","VXSQSHSYDFDUAU-UHFFFAOYSA-N","398468",NA,"PDBC29497","708372","Present"
-"7H-Thiazolo(3,2-a)pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-","","","","","","","","","","","","","","","","","","","","7H-Thiazolo(3,2-a)pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-","","CCC1=C(N2C(CSC2=NC1=O)OCCO)CC3=CC=CC4=CC=CC=C43","TVYUHQCANCYRBZ-UHFFFAOYSA-N","398467",NA,"PDBC29498","708371","Present"
-"7H-Thieno[2,3-c]thiopyran-4-one","","","","","","","","","","","","","","","","","","","","7H-Thieno[2,3-c]thiopyran-4-one","","C1C2=C(C=CS2)C(=O)CS1","CVHNXSJXGCMRKF-UHFFFAOYSA-N","354029",NA,"PDBC29499","603977","Present"
-"7H-Thieno[3',4]cyclopent[1,2-d]oxazole-2,7(1H)-dione, 4,6-dichloro-3a,7a-dihydro-, cis-","","","","","","","","","","","","","","","","","","","","7H-Thieno[3',4':3,4]cyclopent[1,2-d]oxazole-2,7(1H)-dion...","","C12C(C3=C(SC(=C3C1=O)Cl)Cl)OC(=O)N2","XESIJUCJTMXHFM-WVZVXSGGSA-N","400219",NA,"PDBC29500","711737","Present"
-"7J-621S","","","","","","","","","","","","","","","","","","","","7J-621S","","C1=CC(=CC=C1C=CC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl","WVBCDPQRDWBQMN-FPYGCLRLSA-N","6290868",NA,"PDBC29501","640528","Present"
-"7P-014","","","","","","","","","","","","","","","","","","","","7P-014","","C1=CSC(=N1)NC(=O)C2=C(N=C3N(C2=O)C=CS3)O","NQHQHRJTGBFGAD-UHFFFAOYSA-N","135409171",NA,"PDBC29502","663553","Present"
-"7W-0294","","","","","","","","","","","","","","","","","","","","7W-0294","","CC1=C(C(=O)N(N1)C2=NC3=C(CCCC3)C(=O)N2)CCO","DPPVFBIVCROWRM-UHFFFAOYSA-N","135407351",NA,"PDBC29503","664723","Present"
-"7W-0341","","","","","","","","","","","","","","","","","","","","7W-0341","","CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C(=C(N2)C)CCO","RCXSBHWDDVYRDS-UHFFFAOYSA-N","379753",NA,"PDBC29504","664725","Present"
-"7W-0391","","","","","","","","","","","","","","","","","","","","7W-0391","","CC1=CC(=O)NC(=N1)N2C(=O)C(=C(N2)C)CCO","AADISNQZRQUFDA-UHFFFAOYSA-N","135409191",NA,"PDBC29505","664720","Present"
-"7Z-Plakortide H","","","","","","","","","","","","","","","","","","","","7Z-Plakortide H","","CCC=CC(CC)CC(=CC1(CC(C(OO1)CC(=O)O)CC)CC)C","QTIPTWPLMFIHPM-OWJDXIQASA-N","5472712",NA,"PDBC29506","721049","Present"
-"7ZC34TF8SX","","","","","","","","","","","","","","","","","","","","7ZC34TF8SX","","COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC","FJNLODZIVSPGBA-UHFFFAOYSA-N","251112",NA,"PDBC29507","71300","Present"
-"7a-(Hydroxy(methoxy)methyl)-2,2,4,4-tetraisopropyl-6a,7a,13a,13b-tetrahydro-6H,11H-[1,3,5,2,4]trioxadisilocino[6'',7'':4',5']furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-11-one","","","","","","","","","","","","","","","","","","","","6H,11H-1,3,5,2,4-Trioxadisilocino[6'',7'':4',5']furo [2'...","","CC(C)[Si]1(OCC2C(C3C(O2)(N4C=CC(=O)N=C4O3)C(O)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C","SDNSUZRVBFXLON-UHFFFAOYSA-N","387256",NA,"PDBC29508","680837","Present"
-"7a-Hydroxy-7,7a,11b,12-tetrahydrobenzo[a]benzo[3,4]cyclobuta[1,2-d]cycloocten-5(6H)-one","","","","","","","","","","","","","","","","","","","","7a-Hydroxy-7,7a,11b,12-tetrahydrobenzo[a]benzo[3,4]cyclobuta[1,2-d]cycloocten-5(6H)-one","","C1CC2(C(CC3=CC=CC=C3C1=O)C4=CC=CC=C42)O","CKBIQJYJXORKRU-UHFFFAOYSA-N","375542",NA,"PDBC29509","655321","Present"
-"7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one","","","","","","","","","","","","","","","","","","","","7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one","","CC12C3CCC(C3)C1C(=C)C(=O)O2","SDEVQQAGBWZTRK-UHFFFAOYSA-N","430321",NA,"PDBC29510","271289","Present"
-"7a-Methyl-7a,14c-dihydronaphtho[2,1-b]naphtho[1',2':4,5]furo[3,2-d]furan","","","","","","","","","","","","","","","","","","","","7a-Methyl-7a,14c-dihydronaphtho[2,1-b]naphtho[1',2':4,5]furo[3,2-d]furan","","CC12C(C3=C(O1)C=CC4=CC=CC=C43)C5=C(O2)C=CC6=CC=CC=C65","YOBIOKRHPCFJNE-UHFFFAOYSA-N","360855",NA,"PDBC29511","623506","Present"
-"7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one","","","","","","","","","","","","","","","","","","","","C14891","","CC12CCC(=O)C=C1CC(C3C2CCC4(C3CCC4(C)O)C)O","HBNWWAPEFHXKKT-QMNUTNMBSA-N","242497",NA,"PDBC29512","51182","Present"
-"7alpha-Acetoxyroylenane","","","","","","","","","","","","","","","","","","","","7alpha-acetoxyroylenane","","CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2OC(=O)C)(C)C)C)O","MNEJUZVNGNCLJU-PZEOVBFPSA-N","362048",NA,"PDBC29513","753734","Present"
-"8'-Amino-1'-benzyl-6',9'-dimethylspiro[1,3-dioxolane-2,5'-4,6-dihydro-3H-1-benzazocine]-2'-one","","","","","","","","","","","","","","","","","","","","8'-Amino-1'-benzyl-6',9'-dimethylspiro[1,3-dioxolane-2,5'-4,6-dihydro-3H-1-benzazocine]-2'-one","","CC1C2=C(C=C(C(=C2)N)C)N(C(=O)CCC13OCCO3)CC4=CC=CC=C4","TUIUPAJXRDRHIG-UHFFFAOYSA-N","353844",NA,"PDBC29514","603138","Present"
-"8'-Methoxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one","","","","","","","","","","","","","","","","","","","","8'-Methoxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one","","CN1C(=O)C2=CC=CC=C2OC13C=CC4=C(O3)C(=CC=C4)OC","KWTRAYHFLDVWII-UHFFFAOYSA-N","392255",NA,"PDBC29515","692396","Present"
-"8'-[(e)-(2-Hydroxyphenyl)iminomethyl]-3,6'-dimethyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one","","","","","","","","","","","","","","","","","","","","8'-[(2-Hydroxyphenyl)iminomethyl]-3,6'-dimethylspiro[1,3-benzoxazine-2,2'-chromene]-4-one","","CC1=CC2=C(C(=C1)C=NC3=CC=CC=C3O)OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C","CICOELVGIOQXOO-UHFFFAOYSA-N","392258",NA,"PDBC29516","692399","Present"
-"8'-[(e)-(4-Dimethylaminophenyl)iminomethyl]-3,6'-dimethyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one","","","","","","","","","","","","","","","","","","","","8'-[[4-(Dimethylamino)phenyl]iminomethyl]-3,6'-dimethylspiro[1,3-benzoxazine-2,2'-chromene]-4-one","","CC1=CC2=C(C(=C1)C=NC3=CC=C(C=C3)N(C)C)OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C","XKROPRONWCRSQQ-UHFFFAOYSA-N","392259",NA,"PDBC29517","692400","Present"
-"8'-[(e)-Benzyliminomethyl]-3,6'-dimethyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one","","","","","","","","","","","","","","","","","","","","8'-(Benzyliminomethyl)-3,6'-dimethylspiro[1,3-benzoxazine-2,2'-chromene]-4-one","","CC1=CC2=C(C(=C1)C=NCC3=CC=CC=C3)OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C","NLTBEDIFHCLABG-UHFFFAOYSA-N","392260",NA,"PDBC29518","692401","Present"
-"8(5H)-Quinolinone, 7-chloro-5-[[4-(diethylamino)-2-methylphenyl]imino]-","","","","","","","","","","","","","","","","","","","","8(5H)-Quinolinone, 7-chloro-5-[[4-(diethylamino)-2-methylphenyl]imino]-","","CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=C2C=CC=N3)Cl)C","BNKIJSIWUMPQAA-UHFFFAOYSA-N","363174",NA,"PDBC29519","627778","Present"
-"8,10-Dimethyl-3,5-dioxa-4lambda4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene","","","","","","","","","","","","","","","","","","","","8,10-Dimethyl-3,5-dioxa-4lambda4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene","","CC1CC(C2=NOS3=C2C1=NO3)C","JWELPGQDALCCAS-UHFFFAOYSA-N","356808",NA,"PDBC29520","614052","Present"
-"8,10-Diphenyl-11-oxa-3-thiabicyclo[5.3.1]undeca-1(10),7-dien-9-one 3,3-dioxide","","","","","","","","","","","","","","","","","","","","8,10-Diphenyl-11-oxa-3-thiabicyclo[5.3.1]undeca-1(10),7-dien-9-one 3,3-dioxide","","C1CC2=C(C(=O)C(=C(O2)CS(=O)(=O)C1)C3=CC=CC=C3)C4=CC=CC=C4","SLRXXVFBICJWEO-UHFFFAOYSA-N","373098",NA,"PDBC29521","649029","Present"
-"8,11-Bis((4-methylphenyl)sulfonyl)-1,4-dithia-8,11-diazacyclotetradecane","","","","","","","","","","","","","","","","","","","","8,11-Bis((4-methylphenyl)sulfonyl)-1,4-dithia-8,11-diazacyclotetradecane","","CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCCSCCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C","FKPMAHVAKINYDZ-UHFFFAOYSA-N","373814",NA,"PDBC29522","650777","Present"
-"8,11-Dichlorocryptolepine hydrochloride","","","","","","","","","","","","","","","","","","","","8,11-dichlorocryptolepine hydrochloride","","CN1C2=CC=CC=C2C(=C3C1=C4C=CC(=CC4=N3)Cl)Cl.Cl","QVMMJOPGKQLGKR-UHFFFAOYSA-N","405328",NA,"PDBC29523","722546","Present"
-"8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine","","","","","","","","","","","","","","","","","","","","8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine","","CC1(CCN2C(=NN=N2)C3=C(C=CC(=C31)OC)OC)C","RCSRDNWLRMMEKT-UHFFFAOYSA-N","377480",NA,"PDBC29524","658948","Present"
-"8,13-Diaza-8H-dibenz[a,de]anthracen-2-amine","","","","","","","","","","","","","","","","","","","","8,20-Diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-imine","","C1=CC=C2C(=C1)C3=C4C(=C5C=CC(=N)C=C5N3)C=CC=C4N2","QMNPPOOTJUTYKN-UHFFFAOYSA-N","438793",NA,"PDBC29525","670693","Present"
-"8,15-Diisocyano-11(20)-amphilectene","","","","","","","","","","","","","","","","","","","","8,15-Diisocyano-11(20)-amphilectene","","CC1CCC2C(CC(C3C2C1(CCC3=C)[N+]#[C-])CC(C)(C)[N+]#[C-])C","JZQFIFOTCYCVEG-MAMNATSISA-N","360184",NA,"PDBC29526","622155","Present"
-"8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-ol","","","","","","","","","","","","","","","","","","","","8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-ol","","C1CCN2CCC3=C(C(C2C1)O)NC4=CC=CC=C34","LOTZCVIDSNBKKE-UHFFFAOYSA-N","396995",NA,"PDBC29527","704232","Present"
-"8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-one","","","","","","","","","","","","","","","","","","","","8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-one","","C1CCN2CCC3=C(C(=O)C2C1)NC4=CC=CC=C34","IKUMTQZGVXFFFC-UHFFFAOYSA-N","396994",NA,"PDBC29528","704231","Present"
-"8,18-Trihydroxy-2,6-dolabelladiene","","","","","","","","","","","","","","","","","","","","8,10,18-Trihydroxy-2,6-dolabelladiene","","CC1CC=CC(CC(C2C(CCC2(C=C1)C)C(C)(C)O)O)(C)O","CINFXKCUQDROKC-HWAAYOFZSA-N","5387259",NA,"PDBC29529","622255","Present"
-"8,20-Diazatetracyclo[10.8.0.0^{2,7}.0^{14,19}]icosa-1(12),2(7),3,5,13,15,17,19-octaen-13-amine","","","","","","","","","","","","","","","","","","","","8,20-Diazatetracyclo[10.8.0.0^{2,7}.0^{14,19}]icosa-1(12),2(7),3,5,13,15,17,19-octaen-13-amine","","C1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4NC1)N","MUNJEFGPDSDLMV-UHFFFAOYSA-N","402664",NA,"PDBC29530","716850","Present"
-"8,24-Ditert-butyl-12,16,28,32-tetraoxapentacyclo[17.13.0.03,17.06,11.022,27]dotriaconta-1(19),2,6(11),7,9,17,22(27),23,25-nonaen-4,20-diyne","","","","","","","","","","","","","","","","","","","","8,24-Ditert-butyl-12,16,28,32-tetraoxapentacyclo[17.13.0.03,17.06,11.022,27]dotriaconta-1(19),2,6(11),7,9,17,22(27),23,25-nonaen-4,20-diyne","","CC(C)(C)C1=CC2=C(C=C1)OCCCOC3=CC4=C(C=C3C#C2)OCCCOC5=C(C=C(C=C5)C(C)(C)C)C#C4","DHNCNEKWFCVUOX-UHFFFAOYSA-N","397891",NA,"PDBC29531","706806","Present"
-"8,3'-Dimethoxybenzyl)-8-hydroxy-butyrolacton","","","","","","","","","","","","","","","","","","","","8,8'-(3,3'-Dimethoxybenzyl)-8-hydroxy-butyrolacton","","COC1=CC=CC(=C1)CC2COC(=O)C2(CC3=CC(=CC=C3)OC)O","PNXSOUWKEOHIBR-JXFKEZNVSA-N","405100",NA,"PDBC29532","722054","Present"
-"8,3-Methylenedioxy-11H-indeno[1,2-c]isoquinoli ne hydrochloride","","","","","","","","","","","","","","","","","","","","8,9-Dimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]isoqui...","","COC1=C(C=C2C(=C1)CC3=C2N=CC4=CC5=C(C=C34)OCO5)OC.Cl","GVWYMPHKICKPKH-UHFFFAOYSA-N","11164186",NA,"PDBC29533","729475","Present"
-"8,8'-Bis(((2-chloro-5-(trifluoromethyl)phenyl)imino)methyl)-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol","","","","","","","","","","","","","","","","","","","","8-[[2-Chloro-5-(trifluoromethyl)phenyl]iminomethyl]-2-[8-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6=C(C=CC(=C6)C(F)(F)F)Cl)O)O)C(C)C)O)O","SNDGVCAYHRJYIV-UHFFFAOYSA-N","243200",NA,"PDBC29534","52531","Present"
-"8,8'-Paepalantine dimer","","","","","","","","","","","","","","","","","","","","8,8'-paepalantine dimer","","CC1=CC2=C(C3=CC(=C(C(=C3C(=C2C(=O)O1)O)O)C4=C(C=C5C(=C4O)C(=C6C(=C5OC)C=C(OC6=O)C)O)OC)OC)OC","ZFQBRSSPULXABF-UHFFFAOYSA-N","5473234",NA,"PDBC29535","724592","Present"
-"8,8,10,10-Tetrachloro-3-phenoxy-1,2,4,5,7,9,11-heptaaza-3,6lambda~5~,8lambda~5~,10lambda~5~-tetraphosphaspiro[5.5]undeca-6,8,10-triene 3-oxide","","","","","","","","","","","","","","","","","","","","2,2,4,4-Tetrachloro-9-phenoxy-1,3,5,7,8,10,11-heptaza-2lambda5,4lambda5,6lambda5,9lambda5-tetraphosphaspiro[5.5]undeca-1(6),2,4-triene 9-oxide","","C1=CC=C(C=C1)OP2(=O)NNP3(=NP(=NP(=N3)(Cl)Cl)(Cl)Cl)NN2","QPHHZIMEKMJFMS-UHFFFAOYSA-N","370146",NA,"PDBC29536","642782","Present"
-"8,8,10,10-Tetrachloro-3-phenoxy-1,2,4,5,7,9,11-heptaaza-3,6lambda~5~,8lambda~5~,10lambda~5~-tetraphosphaspiro[5.5]undeca-6,8,10-triene 3-sulfide","","","","","","","","","","","","","","","","","","","","2,2,4,4-Tetrachloro-9-phenoxy-9-sulfanylidene-1,3,5,7,8,10,11-heptaza-2lambda5,4lambda5,6lambda5,9lambda5-tetraphosphaspiro[5.5]undeca-1(6),2,4-triene","","C1=CC=C(C=C1)OP2(=S)NNP3(=NP(=NP(=N3)(Cl)Cl)(Cl)Cl)NN2","FJYIZORHOUVDIG-UHFFFAOYSA-N","370145",NA,"PDBC29537","642781","Present"
-"8,8,10,10-Tetrakis(aziridin-1-yl)-3-phenoxy-3-thioxo-1,2,4,5,7,9,11-heptaza-3$l^{5},6$l^{5},8$l^{5},10$l^{5}-tetraphosphaspiro[5.5]undeca-6,8,10-triene","","","","","","","","","","","","","","","","","","","","2,2,4,4-Tetrakis(aziridin-1-yl)-9-phenoxy-9-sulfanylidene-1,3,5,7,8,10,11-heptaza-2lambda5,4lambda5,6lambda5,9lambda5-tetraphosphaspiro[5.5]undeca-1(6),2,4-triene","","C1CN1P2(=NP(=NP3(=N2)NNP(=S)(NN3)OC4=CC=CC=C4)(N5CC5)N6CC6)N7CC7","BOINQHNDAWRRLG-UHFFFAOYSA-N","370147",NA,"PDBC29538","642783","Present"
-"8,8,19,19-Tetramethyl-4,16-dioxa-7,10,18,21-tetrazadispiro[4.6.4^{12}.6^{5}]docosane-11,22-dione","","","","","","","","","","","","","","","","","","","","8,8,19,19-Tetramethyl-4,16-dioxa-7,10,18,21-tetrazadispiro[4.6.4^{12}.6^{5}]docosane-11,22-dione","","CC1(CNC(=O)C2(CCCO2)CNC(CNC(=O)C3(CCCO3)CN1)(C)C)C","YCZKKAACHGXNQZ-UHFFFAOYSA-N","374395",NA,"PDBC29539","652105","Present"
-"8,8-Bis-benzyloxy-10-oxa-3,4,5-triaza-tricyclo[5.2.1.02,6]dec-4-ene-3-carboxylic acid benzyl ester","","","","","","","","","","","","","","","","","","","","Benzyl 5,5-bis(benzyloxy)-3a,4,5,6,7,7a-hexahydro-1h-4,7-epoxybenzotriazole-1-carboxylate","","C1C2C3C(C(C1(OCC4=CC=CC=C4)OCC5=CC=CC=C5)O2)N=NN3C(=O)OCC6=CC=CC=C6","AQVUYYKTWKGZRI-UHFFFAOYSA-N","368614",NA,"PDBC29540","639722","Present"
-"8,8-Dibromo-9-oxo-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-1-yl acetate","","","","","","","","","","","","","","","","","","","","5H-Benzocyclohepten-5-one, 4-(acetyloxy)-6,6-dibromo- 6,...","","CC(=O)OC1=CC=CC2=C1C(=O)C(CCC2)(Br)Br","AHMPDCNURKIVJX-UHFFFAOYSA-N","361590",NA,"PDBC29541","624771","Present"
-"8,8-Dichloro-1-methylbicyclo[4.2.0]octan-7-one","","","","","","","","","","","","","","","","","","","","STZDLDHQOXCLNP-UHFFFAOYSA-N","","CC12CCCCC1C(=O)C2(Cl)Cl","STZDLDHQOXCLNP-UHFFFAOYSA-N","361931",NA,"PDBC29542","625412","Present"
-"8,8-Dimethyl-4-oxo-2,3-diphenyl-9H-furo[2,3-h]chromene-9-carboxylic acid","","","","","","","","","","","","","","","","","","","","8,8-Dimethyl-4-oxo-2,3-diphenyl-9H-furo[2,3-h]chromene-9-carboxylic acid","","CC1(C(C2=C(O1)C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)C","FGNMDOTVDZSLKX-UHFFFAOYSA-N","388150",NA,"PDBC29543","682714","Present"
-"8,8-Dimethyl-4-oxo-2-(2-thienyl)-9H-furo[2,3-h]chromene-9-carboxylic acid","","","","","","","","","","","","","","","","","","","","8,8-Dimethyl-4-oxo-2-(2-thienyl)-9H-furo[2,3-h]chromene-9-carboxylic acid","","CC1(C(C2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=CS4)C(=O)O)C","ROQKYDLEJOFAOM-UHFFFAOYSA-N","388153",NA,"PDBC29544","682717","Present"
-"8,8-Dimethyl-4-oxo-2-phenyl-9H-furo[2,3-h]chromene-9-carboxylic acid","","","","","","","","","","","","","","","","","","","","8,8-Dimethyl-4-oxo-2-phenyl-9H-furo[2,3-h]chromene-9-carboxylic acid","","CC1(C(C2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)C(=O)O)C","IBFIGGWXZUBEMK-UHFFFAOYSA-N","388151",NA,"PDBC29545","682715","Present"
-"8,8-Dimethyl-9-oxo-1,3,4,7,8,9-hexahydrocyclopenta[h]isochromene-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","8,8-Dimethyl-9-oxo-1,3,4,7,8,9-hexahydrocyclopenta[h]isochromene-5-carboxylic acid","","CC1(CC2=CC(=C3CCOCC3=C2C1=O)C(=O)O)C","QHVDYQSAGZQSFY-UHFFFAOYSA-N","362805",NA,"PDBC29546","627083","Present"
-"8,8-Dimethylbicyclo[3.2.1]oct-6-en-2-one","","","","","","","","","","","","","","","","","","","","8,8-Dimethylbicyclo[3.2.1]oct-6-en-2-one","","CC1(C2CCC(=O)C1C=C2)C","MVYDKCGYCKAJTG-UHFFFAOYSA-N","373581",NA,"PDBC29547","650034","Present"
-"8,8-Dimethylbicyclo[3.2.1]octan-2-one","","","","","","","","","","","","","","","","","","","","8,8-Dimethylbicyclo[3.2.1]octan-2-one","","CC1(C2CCC1C(=O)CC2)C","ZTPJXJZOJZGKFX-UHFFFAOYSA-N","376776",NA,"PDBC29548","657836","Present"
-"8,8-Diphenyl-7-oxa-1-aza-8-boranuidabicyclo[3.3.0]octan-6-one","","","","","","","","","","","","","","","","","","","","8,8-Diphenyl-7-oxa-1-aza-8-boranuidabicyclo[3.3.0]octan-6-one","","","","",NA,"PDBC29549","667863","Present"
-"8,8a-Dihydropyrrolo[1,2-d][1,2,4]triazine-1,6(2H,7H)-dione","","","","","","","","","","","","","","","","","","","","8,8a-Dihydropyrrolo[1,2-d][1,2,4]triazine-1,6(2H,7H)-dione","","C1CC(=O)N2C1C(=O)NN=C2","AZTJPZGXOZYXFN-UHFFFAOYSA-N","366808",NA,"PDBC29550","635580","Present"
-"8,9,10-Trimethylbenzo[g]pteridine-2,4-dione","","","","","","","","","","","","","","","","","","","","8,9,10-Trimethylbenzo[g]pteridine-2,4-dione","","CC1=C(C2=C(C=C1)N=C3C(=O)NC(=O)N=C3N2C)C","OYHPAPUVZILAGG-UHFFFAOYSA-N","397201",NA,"PDBC29551","704610","Present"
-"8,9,19,20-Tetrahydro-7H,18H-5,22-diazanediylidene-11,16-diazenodibenzo[g,p][1,5,10,14]tetrathiacyclooctadecine","","","","","","","","","","","","","","","","","","","","2,6,15,19-Tetrathia-27,28,29,30-tetrazapentacyclo[18.6.2.27,14.08,13.021,26]triaconta-1(27),7(30),8,10,12,14(29),20(28),21,23,25-decaene","","C1CSC2=NN=C(C3=CC=CC=C32)SCCCSC4=NN=C(C5=CC=CC=C54)SC1","CSXSTRLVQBAKDZ-UHFFFAOYSA-N","382160",NA,"PDBC29552","669608","Present"
-"8,9-Bis-benzyloxy-7-methyl-1,4,6-trioxa-spiro[4.5]decane","","","","","","","","","","","","","","","","","","","","8,9-Bis-benzyloxy-7-methyl-1,4,6-trioxa-spiro[4.5]decane","","CC1C(C(CC2(O1)OCCO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","CYNNHJZSXYWLJA-UHFFFAOYSA-N","383712",NA,"PDBC29553","672138","Present"
-"8,9-Dihydro-6H-benzo[b][1,8]naphthyridin-7-one","","","","","","","","","","","","","","","","","","","","8,9-Dihydro-6H-benzo[b][1,8]naphthyridin-7-one","","C1CC2=C(CC1=O)C=C3C=CC=NC3=N2","FQSFHLUMNCPFJQ-UHFFFAOYSA-N","395748",NA,"PDBC29554","700548","Present"
-"8,9-Dihydroxy-2,2,12,12-tetramethyl-4-cyclododecen-1-one","","","","","","","","","","","","","","","","","","","","8,9-Dihydroxy-2,2,12,12-tetramethyl-4-cyclododecen-1-one","","CC1(CCC(C(CCC=CCC(C1=O)(C)C)O)O)C","BEWPNOHISJLCQR-ALCCZGGFSA-N","5468839",NA,"PDBC29555","677301","Present"
-"8,9-Dihydroxy-2,6-dioxa-4-azabicyclo[3.3.1]nonan-3-one","","","","","","","","","","","","","","","","","","","","8,9-Dihydroxy-2,6-dioxa-4-azabicyclo[3.3.1]nonan-3-one","","C1C(C2C(C(O1)NC(=O)O2)O)O","YYNLEEABUQRBLL-UHFFFAOYSA-N","373118",NA,"PDBC29556","649060","Present"
-"8,9-Dihydroxy-7-(hydroxymethyl)-2,6-dioxa-4-azabicyclo[3.3.1]nonan-3-one","","","","","","","","","","","","","","","","","","","","8,9-Dihydroxy-7-(hydroxymethyl)-2,6-dioxa-4-azabicyclo[3.3.1]nonan-3-one","","C(C1C(C2C(C(O1)NC(=O)O2)O)O)O","JTZAYJLIBFNTNB-UHFFFAOYSA-N","373119",NA,"PDBC29557","649061","Present"
-"8,9-Dihydroxy-7-methoxy-5-(1-naphthyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione","","","","","","","","","","","","","","","","","","","","8,9-Dihydroxy-7-methoxy-5-(1-naphthyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione","","COC1=C(C(=C2C(=C1)C(N3C(C2=O)CCC3=O)C4=CC=CC5=CC=CC=C54)O)O","GDEKEEAROVIPQQ-UHFFFAOYSA-N","393643",NA,"PDBC29558","695854","Present"
-"8,9-Dimethoxy-2,3,5,6-tetrahydro-1H-benzo[de]pyrido[3,2,1-ij]quinoline-10,11-dione","","","","","","","","","","","","","","","","","","","","6,7-Dimethoxy-1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,8(16),11(15)-tetraene-9,10-dione","","COC1=C(C2=C3C(=C1)CCN4C3=C(CCC4)C(=O)C2=O)OC","VMUFXODGFRIDFQ-UHFFFAOYSA-N","386981",NA,"PDBC29559","680292","Present"
-"8,9-Dimethoxy-3,10b-diphenyl-10bH-[1,2,4]oxadiazolo[4,5-c][1,3]benzothiazine","","","","","","","","","","","","","","","","","","","","8,9-Dimethoxy-3,10b-diphenyl-10bH-[1,2,4]oxadiazolo[4,5-c][1,3]benzothiazine","","COC1=C(C=C2C(=C1)C3(N(CS2)C(=NO3)C4=CC=CC=C4)C5=CC=CC=C5)OC","JGYLAKQYTFXUTN-UHFFFAOYSA-N","373383",NA,"PDBC29560","649610","Present"
-"8,9-Dimethoxy-4-methyl-3-phenyl-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-4-ium tetrafluoroborate","","","","","","","","","","","","","","","","","","","","8,9-Dimethoxy-4-methyl-3-phenyl-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-4-ium tetrafluoroborate","","","","",NA,"PDBC29561","686131","Present"
-"8,9-Dimethoxybenzo[c]phenanthridin-3-ol","","","","","","","","","","","","","","","","","","","","8,9-Dimethoxybenzo[c]phenanthridin-3-ol","","COC1=C(C=C2C3=C(C4=C(C=CC(=C4)O)C=C3)N=CC2=C1)OC","KKQSZBUFOTUYNS-UHFFFAOYSA-N","371249",NA,"PDBC29562","645308","Present"
-"8,9-Dimethoxybenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","8,9-Dimethoxybenzo[c]phenanthridine","","COC1=C(C=C2C3=C(C4=CC=CC=C4C=C3)N=CC2=C1)OC","HRZKEZNXDUQWDZ-UHFFFAOYSA-N","371215",NA,"PDBC29563","645264","Present"
-"8,9-Dimethoxybenzo[g]isoquinoline-5,10-dione","","","","","","","","","","","","","","","","","","","","Benz[g]isoquinoline-5,10-dione, 8,9-dimethoxy-","","COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=NC=C3)OC","ZXETZSMJIZKERY-UHFFFAOYSA-N","362995",NA,"PDBC29564","627523","Present"
-"8,9-Dimethoxycamptothecin","","","","","","","","","","","","","","","","","","","","NSC328410","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C(=CC5=C4)OC)OC)O","IYAQFMAQDYIFSH-UHFFFAOYSA-N","190756",NA,"PDBC29565","328410","Present"
-"8,9-Dioxo-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-13-carboxamide","","","","","","","","","","","","","","","","","","","","5,6-dioxo-5,6-dihydronaphtho[1',2':4,5]-imidazo[1,2-a]py...","","C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=C(C=CC4=N3)C(=O)N","KUFIVSUHEZRPPY-UHFFFAOYSA-N","155807515",NA,"PDBC29566","795139","Present"
-"8-(((1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methoxy)methyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[(1,3-Dimethyl-2,6-dioxo-7H-purin-8-yl)methoxymethyl]-1,3-dimethyl-7H-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C","BZWZONSXQBFSJV-UHFFFAOYSA-N","247621",NA,"PDBC29567","62594","Present"
-"8-((2,5-Dichlorophenyl)diazenyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline","","","","","","","","","","","","","","","","","","","","8-((2,5-Dichlorophenyl)diazenyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline","","C1CC2=C3C(=CC(=C2)N=NC4=C(C=CC(=C4)Cl)Cl)CCN3C1","DQOXJUSTQOIDNG-UHFFFAOYSA-N","377665",NA,"PDBC29568","659246","Present"
-"8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 3-(hydroxy(oxido)amino)benzenesulfonate","","","","","","","","","","","","","","","","","","","","8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 3-(hydroxy(oxido)amino)benzenesulfonate","","COC1=C(C=C(C(=C1)C=NC2=CC=CC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])Br)OC","UYECKQZWTMZTHT-UHFFFAOYSA-N","371211",NA,"PDBC29569","645260","Present"
-"8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 4-(hydroxy(oxido)amino)benzenesulfonate","","","","","","","","","","","","","","","","","","","","8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 4-(hydroxy(oxido)amino)benzenesulfonate","","COC1=C(C=C(C(=C1)C=NC2=CC=CC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br)OC","BMDLKQVHHYQDSC-UHFFFAOYSA-N","371207",NA,"PDBC29570","645257","Present"
-"8-((Triphenylstannyl)oxy)quinoline","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-628585","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)OC4=CC=CC5=C4N=CC=C5","IZZZBUXADCIOKL-UHFFFAOYSA-M","16683145",NA,"PDBC29571","628585","Present"
-"8-(1,2-Dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride","","","","","","","","","","","","","","","","","","","","3'-Deamino-3'-(4-morpholinyl)-13-dihydro-adriamycin hydr...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)N6CCOCC6)O.Cl","OYXKDQMOCVNLBP-UHFFFAOYSA-N","157437",NA,"PDBC29572","639655","Present"
-"8-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine","","","","","","","","","","","","","","","","","","","","8-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine","","CC1=CC=C(C=C1)C2=NC3=C(N=CN=C3NC(C2)C4=CC5=C(C=C4)OCO5)N","BQYTXPHSSBCJCD-UHFFFAOYSA-N","25112165",NA,"PDBC29573","743957","Present"
-"8-(1,3-Benzodioxol-5-yl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-(1,3-Benzodioxol-5-yl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","C1OC2=C(O1)C=C(C=C2)C3C4=CC5=C(C=C4OC(=C3C(=O)O)CO)OCO5","BZMZZPZOWSKUGR-UHFFFAOYSA-N","358797",NA,"PDBC29574","618866","Present"
-"8-(1-Cyclohexylbenzimidazol-5-yl)-6-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","8-(1-cyclohexyl-1H-benzo[d]imidazol-5-yl)-6-(1-cyclohexy...","","C1CCC(CC1)N2C=NC3=C2C=CC(=C3)C4=NC(=CN5C4=NC=C5)C6=CC7=C(C=C6)N=CN7C8CCCCC8","BPKFJGGZDXTZIR-UHFFFAOYSA-N","155814105",NA,"PDBC29575","799118","Present"
-"8-(1-Phenylethoxy)-4a,7,8,8a-tetrahydro-1,4,6(5H)-naphthalenetrione","","","","","","","","","","","","","","","","","","","","8-(1-Phenylethoxy)-4a,7,8,8a-tetrahydro-1,4,6(5H)-naphthalenetrione","","CC(C1=CC=CC=C1)OC2CC(=O)CC3C2C(=O)C=CC3=O","BZHHDXHGZFULPI-UHFFFAOYSA-N","373885",NA,"PDBC29576","650877","Present"
-"8-(1H-Indol-3-yl)-6,8,10,10-tetramethyl-5,8,9,10-tetrahydrocyclohepta[b]indole","","","","","","","","","","","","","","","","","","","","8-(1H-Indol-3-yl)-6,8,10,10-tetramethyl-5,8,9,10-tetrahydrocyclohepta[b]indole","","CC1=CC(CC(C2=C1NC3=CC=CC=C32)(C)C)(C)C4=CNC5=CC=CC=C54","FBJAPBJGACFLTK-UHFFFAOYSA-N","362913",NA,"PDBC29577","627388","Present"
-"8-(2,2'-Spirobi[benzo[f][1,3,2]benzodioxaphosphole]-2-yloxy)quinoline","","","","","","","","","","","","","","","","","","","","8-(2,2'-Spirobi[benzo[f][1,3,2]benzodioxaphosphole]-2-yloxy)quinoline","","C1=CC=C2C=C3C(=CC2=C1)OP4(O3)(OC5=CC6=CC=CC=C6C=C5O4)OC7=CC=CC8=C7N=CC=C8","QVIYELPIOQWJHD-UHFFFAOYSA-N","360394",NA,"PDBC29578","622459","Present"
-"8-(2,3-Dihydro-1,3-benzoxazol-2-yl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","","","","","","","","","","","","","","","","","","","","8-(2,3-Dihydro-1,3-benzoxazol-2-yl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","","CN1CN(C2(C1=O)CCN(CC2)C3NC4=CC=CC=C4O3)C5=CC=CC=C5","BBCDWLCGGNXTTK-UHFFFAOYSA-N","380310",NA,"PDBC29579","665790","Present"
-"8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one","","","","","","","","","","","","","","","","","","","","8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one","","C1CN(CCC12CNC(=O)N2C3=CC=CC=C3)CC4COC5=CC=CC=C5O4","LDOBJJZKPRYYIQ-UHFFFAOYSA-N","380021",NA,"PDBC29580","665315","Present"
-"8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","","","","","","","","","","","","","","","","","","","","8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","","CN1C(=O)C2(CCN(CC2)CC3COC4=CC=CC=C4O3)N(C1=O)C5=CC=CC=C5","WOPZHACYQXZLKH-UHFFFAOYSA-N","380019",NA,"PDBC29581","665313","Present"
-"8-(2,3-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-(2,3-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","COC1=CC=CC(=C1OC)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","RFIGOHQLDLBCIG-UHFFFAOYSA-N","359112",NA,"PDBC29582","619692","Present"
-"8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol","","","","","","","","","","","","","","","","","","","","8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol","","CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=C(C(=CC=C4)OC)OC","RYCBCSWYEUGIDM-UHFFFAOYSA-N","381358",NA,"PDBC29583","667898","Present"
-"8-(2,3-Dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","8-(2,3-Dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)OC","GBOIKVXJSZURGV-UHFFFAOYSA-N","381363",NA,"PDBC29584","667903","Present"
-"8-(2,3-Dimethoxyphenyl)-N,N-diethyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","8-(2,3-Dimethoxyphenyl)-N,N-diethyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)OC)C","XFZQJONSCZRGGL-UHFFFAOYSA-N","381365",NA,"PDBC29585","667905","Present"
-"8-(2,3-Dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","8-(2,3-Dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)OC)OCO3)C5=C(C(=CC=C5)OC)OC","TVACMCACOWTLJP-UHFFFAOYSA-N","381359",NA,"PDBC29586","667899","Present"
-"8-(2,4-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-(2,4-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","COC1=CC(=C(C=C1)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4)OC","AOFQWXMNICNOLG-UHFFFAOYSA-N","358800",NA,"PDBC29587","618869","Present"
-"8-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine","","","","","","","","","","","","","","","","","","","","8-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine","","COC1=CC(=C(C=C1)OC)C2CCC3=C4C(=NC(=NC4=NC=C3C2)N)N","BGIKLMHTODEELV-UHFFFAOYSA-N","401166",NA,"PDBC29588","714362","Present"
-"8-(2-(1,3-Dioxan-2-yl)-2-(4-fluorophenyl)propyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","","","","","","","","","","","","","","","","","","","","8-(2-(1,3-Dioxan-2-yl)-2-(4-fluorophenyl)propyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","","CC(CN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C)(C4OCCCO4)C5=CC=C(C=C5)F","UTXOHXREBPXNEH-UHFFFAOYSA-N","380038",NA,"PDBC29589","665334","Present"
-"8-(2-(Trifluoromethyl)phenyl)-1H,3H-difuro[3,4-b:3,4-e]pyridine-1,7(5H)-dione","","","","","","","","","","","","","","","","","","","","8-[2-(Trifluoromethyl)phenyl]-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione","","C1C2=C(C(=C3C(=N2)COC3=O)C4=CC=CC=C4C(F)(F)F)C(=O)O1","QSODRICEQFAZSV-UHFFFAOYSA-N","375345",NA,"PDBC29590","654969","Present"
-"8-(2-Hydroxyethyl)-3,6,7-trimethyl-2,4(3H,8H)-pteridinedione","","","","","","","","","","","","","","","","","","","","8-(2-Hydroxyethyl)-3,6,7-trimethyl-2,4(3H,8H)-pteridinedione","","CC1=C(N(C2=NC(=O)N(C(=O)C2=N1)C)CCO)C","PGTHACZDDXLCKX-UHFFFAOYSA-N","387297",NA,"PDBC29591","680991","Present"
-"8-(2-Hydroxyethyl)-3-methyl-2,4(3H,8H)-pteridinedione","","","","","","","","","","","","","","","","","","","","8-(2-Hydroxyethyl)-3-methyl-2,4(3H,8H)-pteridinedione","","CN1C(=O)C2=NC=CN(C2=NC1=O)CCO","FEIYGHYGVUZHOJ-UHFFFAOYSA-N","387296",NA,"PDBC29592","680990","Present"
-"8-(2-Hydroxyethyl)-3-methyl-6,7-diphenyl-pteridine-2,4-dione","","","","","","","","","","","","","","","","","","","","8-(2-Hydroxyethyl)-3-methyl-6,7-diphenyl-pteridine-2,4-dione","","CN1C(=O)C2=NC(=C(N(C2=NC1=O)CCO)C3=CC=CC=C3)C4=CC=CC=C4","AELTZGUQPMGONQ-UHFFFAOYSA-N","387298",NA,"PDBC29593","680992","Present"
-"8-(2-Hydroxyethyl)-6,7-diphenyl-pteridine-2,4-dione","","","","","","","","","","","","","","","","","","","","8-(2-Hydroxyethyl)-6,7-diphenyl-pteridine-2,4-dione","","C1=CC=C(C=C1)C2=C(N(C3=NC(=O)NC(=O)C3=N2)CCO)C4=CC=CC=C4","LCNJEBVVWUEGJY-UHFFFAOYSA-N","387295",NA,"PDBC29594","680989","Present"
-"8-(2-Hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol","","","","","","","","","","","","","","","","","","","","8-(2-Hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol","","CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=CC=CC=C4O","NCLNBERWMRBQDE-UHFFFAOYSA-N","381360",NA,"PDBC29595","667900","Present"
-"8-(2-Mercaptoethyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-(2-Mercaptoethyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCS","MCOOBAUNPPDZOC-UHFFFAOYSA-N","262397",NA,"PDBC29596","95865","Present"
-"8-(2-Methoxyanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-(2-Methoxyanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3OC","OOGWKEFOVSDBES-UHFFFAOYSA-N","378527",NA,"PDBC29597","661162","Present"
-"8-(2-Nitrophenyl)sulfonyl-1,2,3,4-tetrahydroquinoline","","","","","","","","","","","","","","","","","","","","8-Quinol-SO2-(NO2)Ph","","C1CC2=C(C(=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NC1","PYZIIXRFDQFOBL-UHFFFAOYSA-N","380124",NA,"PDBC29598","665526","Present"
-"8-(3,4,5-Trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one","","","","","","","","","","","","","","","","","","","","8-(3,4,5-Trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one","","COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC5=C2C(=O)CC5)OCO4","ORJHTLCGWHLLIX-UHFFFAOYSA-N","358792",NA,"PDBC29599","618861","Present"
-"8-(3,4-Dichlorophenyl)-2-mercapto-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","","","","","","","","","","","","","","","","","","","8-(3,4-Dichlorophenyl)-2-mercapto-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol","","CC1=NC2=C(NC(C1)C3=CC(=C(C=C3)Cl)Cl)NC(=S)NC2=O","OHILTMDINUGCEO-UHFFFAOYSA-N","3004218",NA,"PDBC29600","636796","Present"
-"8-(3,4-Dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one","","","","","","","","","","","","","","","","","","","","8-(3,4-Dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one","","COC1=C(C=C(C=C1)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO)OC","XCYHMCSRVSWZDC-UHFFFAOYSA-N","54579427",NA,"PDBC29601","751500","Present"
-"8-(3,5-Dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole","","","","","","","","","","","","","","","","","","","","8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]i...","","COC1=CC(=CC(=C1)CN2C=CC3=C2C4=C(CC3)C=NO4)OC","PBYHEHQUPPMFPG-UHFFFAOYSA-N","60148296",NA,"PDBC29602","754102","Present"
-"8-(3,5-Ditert-butyl-4-hydroxyphenyl)-6-hydroxy-6-(hydroxymethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;8-(3,5-ditert-butyl-4-hydroxyphenyl)-3-hydroxy-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one","","","","","","","","","","","","","","","","","","","","8-(3,5-Ditert-butyl-4-hydroxyphenyl)-6-hydroxy-6-(hydroxymethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;8-(3,5-ditert-butyl-4-hydroxyphenyl)-3-hydroxy-2,5,12,14-tetraoxatetracyclo[7","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O","KEWPDUPQQHYUAD-UHFFFAOYSA-N","359116",NA,"PDBC29603","619694","Present"
-"8-(3-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)propyl)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[3-(1,3-Dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-7-ethyl-1,3-dimethylpurine-2,6-dione","","CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C","TWYDPXDSCBJXQG-UHFFFAOYSA-N","229726",NA,"PDBC29604","23583","Present"
-"8-(3-(1,3-Dioxolan-2-yl)-2-(4-fluorophenyl)propyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","","","","","","","","","","","","","","","","","","","","8-[3-(1,3-Dioxolan-2-yl)-2-(4-fluorophenyl)propyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","","CN1C(=O)C2(CCN(CC2)CC(CC3OCCO3)C4=CC=C(C=C4)F)N(C1=O)C","ANOMMQAZHCWMRH-UHFFFAOYSA-N","380302",NA,"PDBC29605","665782","Present"
-"8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one","","","","","","","","","","","","","","","","","","","","8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one","","C1CN(CCC12CNC(=O)N2C3=CC=CC=C3)CCCC4(OCCO4)C5=CC=C(C=C5)F","YHAAOYLFPAQIRN-UHFFFAOYSA-N","380016",NA,"PDBC29606","665311","Present"
-"8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol","","","","","","","","","","","","","","","","","","","","8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol","","C1CC2CC(CC1N2CCCC3(OCCO3)C4=CC=C(C=C4)F)(C5=CC=CC=C5)O","FBUQIOZUBBLBJP-UHFFFAOYSA-N","380293",NA,"PDBC29607","665774","Present"
-"8-(3-(2-Chlorophenothiazin-10-yl)propyl)-3-nortropanol ethanesulfonate","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 8-[3-(2-chlorophenothia...","","CCS(=O)(=O)O.C1CC2CC(CC1N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O","TZDSHVRGWKAGEA-UHFFFAOYSA-N","246378",NA,"PDBC29608","59349","Present"
-"8-(3-(4-(Hydroxy(oxido)amino)phenyl)propyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-8-[3-(4-nitrophenyl)propyl]-3,7-dihydro-1H-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC3=CC=C(C=C3)[N+](=O)[O-]","XEDGZYRGDFZVQZ-UHFFFAOYSA-N","262428",NA,"PDBC29609","95916","Present"
-"8-(3-Amino-p-toluamido)-1,5-napthalene-trisulfonic acid trisodium salt","","","","","","","","","","","","","","","","","","","","8-(3-Amino-p-toluamido)-1,3,5-napthalene-trisulfonic aci...","","CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N.[Na+]","QQLBHJSIIHPMIN-UHFFFAOYSA-N","54602151",NA,"PDBC29610","633094","Present"
-"8-(3-Benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","8-(1-benzyl-1H-benzo[d]imidazol-6-yl)-6-(1-cyclohexyl-1H...","","C1CCC(CC1)N2C=NC3=C2C=CC(=C3)C4=CN5C=CN=C5C(=N4)C6=CC7=C(C=C6)N=CN7CC8=CC=CC=C8","GLXVLHSJFJDBAD-UHFFFAOYSA-N","155809517",NA,"PDBC29611","798876","Present"
-"8-(3-Chloroanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-(3-Chloroanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC(=CC=C3)Cl","FULXGFDDQDQQJV-UHFFFAOYSA-N","378530",NA,"PDBC29612","661165","Present"
-"8-(3-Cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine","","","","","","","","","","","","","","","","","","","","8-(1-cyclohexyl-1H-benzo[d]imidazol-6-yl)-6-(4-methoxyph...","","COC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC5=C(C=C4)N=CN5C6CCCCC6","VGPAWEQJKSLZJA-UHFFFAOYSA-N","155810732",NA,"PDBC29613","795379","Present"
-"8-(3-Hydroxy-6-oxo-xanthen-9-yl)naphthalene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-(3-Hydroxy-6-oxo-xanthen-9-yl)naphthalene-1-carboxylic acid","","C1=CC2=C(C(=C1)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=CC=C2)C(=O)O","DNVGCSHHOPOHOW-UHFFFAOYSA-N","275508",NA,"PDBC29614","122391","Present"
-"8-(3-Methoxyanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-(3-Methoxyanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC(=CC=C3)OC","FHBFNNBSGGDUGZ-UHFFFAOYSA-N","378528",NA,"PDBC29615","661163","Present"
-"8-(3-Methoxyphenyl)-6,6a,6b,9a,10,14c-hexahydronaphtho[2,1-c]pyrrolo[3,4-a]carbazole-7,9(5H,8H)-dione","","","","","","","","","","","","","","","","","","","","13-(3-Methoxyphenyl)-9,13-diazahexacyclo[14.8.0.02,10.03,8.011,15.019,24]tetracosa-2(10),3,5,7,19,21,23-heptaene-12,14-dione","","COC1=CC=CC(=C1)N2C(=O)C3C4CCC5=CC=CC=C5C4C6=C(C3C2=O)NC7=CC=CC=C76","LTIMEHVTSLNMHY-UHFFFAOYSA-N","378589",NA,"PDBC29616","661229","Present"
-"8-(3-Methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol","","","","","","","","","","","","","","","","","","","","7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol","","CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=CC=C4)OC)O","OBEWQTCNLDQARO-UHFFFAOYSA-N","146671",NA,"PDBC29617","601100","Present"
-"8-(4-(4-Fluorophenyl)-4-oxobutyl)-2-(4-morpholinyl)-2,8-diazaspiro[4.5]decane-1,3-dione","","","","","","","","","","","","","","","","","","","","8-(4-(4-Fluorophenyl)-4-oxobutyl)-2-(4-morpholinyl)-2,8-diazaspiro[4.5]decane-1,3-dione","","C1CN(CCC12CC(=O)N(C2=O)N3CCOCC3)CCCC(=O)C4=CC=C(C=C4)F","BUYMPLYEKPIXBO-UHFFFAOYSA-N","380315",NA,"PDBC29618","665794","Present"
-"8-(4-(Dimethylamino)benzylidene)-4-(4-(dimethylamino)phenyl)-5-methyl-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione","","","","","","","","","","","","","","","","","","","","(8E)-4-[4-(Dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione","","CC1CCC(=CC2=CC=C(C=C2)N(C)C)C3=C1C(NC(=S)N3)C4=CC=C(C=C4)N(C)C","QVQJIPZPBHGBJF-CAPFRKAQSA-N","5469613",NA,"PDBC29619","690750","Present"
-"8-(4-Acetyloxy-3,5-dimethoxyphenyl)-6-(acetyloxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-(4-Acetyloxy-3,5-dimethoxyphenyl)-6-(acetyloxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","CC(=O)OCC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC(=O)C)OC)C(=O)O","VIHLJOULUJEJST-UHFFFAOYSA-N","358801",NA,"PDBC29620","618870","Present"
-"8-(4-Amino-1-methylbutyl)-amino-4-methyl-5, 2,6-hydrobromide, hemihydrate","","","","","","","","","","","","","","","","","","","","8-(4-Amino-1-methylbutyl)-amino-4-methyl-5,6-dihydroxyqu...","","CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)O)O","UGQWFQAHDSOGCH-UHFFFAOYSA-N","135492375",NA,"PDBC29621","742254","Present"
-"8-(4-Amino-1-methylbutyl)-amino-4-methyl-5, diphosphate,","","","","","","","","","","","","","","","","","","","","8-(4-Amino-1-methylbutyl)-amino-4-methyl-5,6-dimethoxyqu...","","CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)OC.OP(=O)(O)O","DSNRNBJXFVCLPZ-UHFFFAOYSA-N","45028339",NA,"PDBC29622","742253","Present"
-"8-(4-Amino-1-methylbutyl)amino-2-methyl-5, 2.3-hydrobromide, 0.8 hydrate","","","","","","","","","","","","","","","","","","","","8-(4-Amino-1-methylbutyl)amino-2-methyl-5,6-dihydroxyqui...","","CC1=NC2=C(C=C1)C(=C(C=C2NC(C)CCCN)O)O.Br","QQPCCNVXGMQMER-UHFFFAOYSA-N","135958398",NA,"PDBC29623","742256","Present"
-"8-(4-Bromo-phenyl)-4-methyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione","","","","","","","","","","","","","","","","","","","","8-(4-Bromo-phenyl)-4-methyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione","","CC1=CC(=O)OC2=C1C=CC3=C2C(=O)CC(O3)C4=CC=C(C=C4)Br","GUHQXZPDNPRRCA-UHFFFAOYSA-N","382434",NA,"PDBC29624","669999","Present"
-"8-(4-Bromophenyl)-2-ethyl-2,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","10-(4-Bromophenyl)-5-ethyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one","","CCN1C=C2C(=N1)N=C3N(C=NN3C2=O)C4=CC=C(C=C4)Br","LCWLYTDECDZELT-UHFFFAOYSA-N","388888",NA,"PDBC29625","684113","Present"
-"8-(4-Bromophenyl)-2-methyl-2,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","10-(4-Bromophenyl)-5-methyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one","","CN1C=C2C(=N1)N=C3N(C=NN3C2=O)C4=CC=C(C=C4)Br","JAKDQERQITUHOY-UHFFFAOYSA-N","393546",NA,"PDBC29626","695608","Present"
-"8-(4-Chlorophenyl)-10-imino-4,6-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-amine","","","","","","","","","","","","","","","","","","","","8-(4-Chlorophenyl)-10-imino-4,6-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-amine","","C1=CC=C(C=C1)C2=NN(C3=C2C(C4=C(O3)N=CN(C4=N)N)C5=CC=C(C=C5)Cl)C6=CC=CC=C6","ZMKLPZXNHDGVLZ-UHFFFAOYSA-N","391831",NA,"PDBC29627","691418","Present"
-"8-(4-Chlorophenyl)-6-oxo-2,3,5,11,12-pentazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),3,7,9,11,14,16,18,20-nonaene-7-carbonitrile","","","","","","","","","","","","","","","","","","","","8-(4-Chlorophenyl)-6-oxo-2,3,5,11,12-pentazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),3,7,9,11,14,16,18,20-nonaene-7-carbonitrile","","C1=CC=C2C(=C1)C=CC3=C2N=NC4=C5C(=C(C(=O)NC5=NN34)C#N)C6=CC=C(C=C6)Cl","AGHGGXIUGZFCRY-UHFFFAOYSA-N","135426590",NA,"PDBC29628","701021","Present"
-"8-(4-Chlorophenyl)-8-hydroxy-5-methyl-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one","","","","","","","","","","","","","","","","","","","","8-(4-Chlorophenyl)-8-hydroxy-5-methyl-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one","","CC1=CSC(C2=NOC(=O)N12)(C3=CC=C(C=C3)Cl)O","PFZYNEDQOMUHNJ-UHFFFAOYSA-N","394938",NA,"PDBC29629","699038","Present"
-"8-(4-Chlorophenyl)-8-methoxy-5-methyl-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one","","","","","","","","","","","","","","","","","","","","8-(4-Chlorophenyl)-8-methoxy-5-methyl-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one","","CC1=CSC(C2=NOC(=O)N12)(C3=CC=C(C=C3)Cl)OC","BBMGMJVPBGHYGA-UHFFFAOYSA-N","394939",NA,"PDBC29630","699039","Present"
-"8-(4-Ethylpiperazin-1-yl)-6,7-dihydro-[1]benzoxepino[4,5-c]quinoline","","","","","","","","","","","","","","","","","","","","[1]Benzoxepino[4,5-c]quinoline, 8-(4-ethyl-1-piperazinyl)-","","CCN1CCN(CC1)C2=NC3=CC=CC=C3C4=C2CCOC5=CC=CC=C54","MQWBPXHYMXZSRH-UHFFFAOYSA-N","391108",NA,"PDBC29631","689726","Present"
-"8-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one","","","","","","","","","","","","","","","","","","","","8-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one","","COC1=CC(=CC(=C1O)OC)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO","KLVSBBRWPFKCDD-UHFFFAOYSA-N","54579200",NA,"PDBC29632","751501","Present"
-"8-(4-Hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-(4-Hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid","","COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","PFTPEPVNAQKUBW-UHFFFAOYSA-N","358796",NA,"PDBC29633","618865","Present"
-"8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol","","","","","","","","","","","","","","","","","","","","8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol","","CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=CC(=C(C(=C4)OC)O)OC","XLMIVXYTLXWCIZ-UHFFFAOYSA-N","383128",NA,"PDBC29634","671169","Present"
-"8-(4-Hydroxy-3-methoxyphenyl)-12-(hydroxymethyl)-4-methoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-ol","","","","","","","","","","","","","","","","","","","","8-(4-Hydroxy-3-methoxyphenyl)-12-(hydroxymethyl)-4-methoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-ol","","COC1=C(C=CC(=C1)C2C3COC(C3CO)C4=CC(=C(C=C24)O)OC)O","KBWKVVULAPXWFJ-UHFFFAOYSA-N","396065",NA,"PDBC29635","701565","Present"
-"8-(4-Hydroxy-3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one","","","","","","","","","","","","","","","","","","","","8-(4-Hydroxy-3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one","","COC1=C(C=CC(=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)O","BAAZAAOLHHFWJV-UHFFFAOYSA-N","384851",NA,"PDBC29636","675369","Present"
-"8-(4-Methoxybenzyl)-7-phenyl-6,4-h]quinazoline","","","","","","","","","","","","","","","","","","","","8-(4-methoxybenzyl)-7-phenyl-6,8-dihydro-5H-pyrrolo[3,4-...","","COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=CN=CN=C53","HQQIJRFMQNQXAO-UHFFFAOYSA-N","44244173",NA,"PDBC29637","748036","Present"
-"8-(4-Methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one","","","","","","","","","","","","","","","","","","","","8-(4-Methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one","","COC1=CC=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4","ZXHDHQRXWBWDTH-UHFFFAOYSA-N","359106",NA,"PDBC29638","619688","Present"
-"8-(4-Methoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine","","","","","","","","","","","","","","","","","","","","8-(4-Methoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine","","COC1=CC=C(C=C1)C2CCC3=C4C(=NC(=NC4=NC=C3C2)N)N","GPEFGEOGGKITPQ-UHFFFAOYSA-N","401169",NA,"PDBC29639","714365","Present"
-"8-(4-Methoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","8-(4-Methoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=CC=C(C=C5)OC","VPTPHZDINJQVJU-UHFFFAOYSA-N","381367",NA,"PDBC29640","667907","Present"
-"8-(4-Methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane","","","","","","","","","","","","","","","","","","","","8-(4-Methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane","","CC1=CC=C(C=C1)N2CCC3(CC2)OCCO3","HDWQEIDJLZGCLQ-UHFFFAOYSA-N","389879",NA,"PDBC29641","686507","Present"
-"8-(4-Nitro-benzyloxy)-quinoline","","","","","","","","","","","","","","","","","","","","8-(4-Nitro-benzyloxy)-quinoline","","C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2","JGDBDRRKKSGUJT-UHFFFAOYSA-N","372051",NA,"PDBC29642","646911","Present"
-"8-(4-{4-[6-(4-Piperazinoquinazoline)-7-methoxy-2,5,11-atetrahydra-1H-benzo[e]pyrrolo[1,2-c][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","8-(4-{4-[6-(4-piperazinoquinazoline)-7-methoxy-2,3,5,11-...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCN4CCN(CC4)C5=NC=NC6=CC=CC=C65","BOCPXUYVMAKHTQ-UHFFFAOYSA-N","45028589",NA,"PDBC29643","743433","Present"
-"8-(5-Amino-3-phenylpyrazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-(5-Amino-3-phenyl-1h-pyrazol-1-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3C(=CC(=N3)C4=CC=CC=C4)N","WOCNOHINDTULBH-UHFFFAOYSA-N","404394",NA,"PDBC29644","720611","Present"
-"8-(5-Carbazol-9-yl-pentyloxy)-7-methoxy-1,3,11a-tetrahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","8-(5-Carbazol-9-yl-pentyloxy)-7-methoxy-1,2,3,11a-tetrah...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4C5=CC=CC=C5C6=CC=CC=C64","OOOSACQKAOJLLU-NRFANRHFSA-N","45028943",NA,"PDBC29645","744990","Present"
-"8-(5-Hexylfuran-2-yl)octanoic acid","","","","","","","","","","","","","","","","","","","","8-(5-hexyl-2-furyl)octanoic acid","","CCCCCCC1=CC=C(O1)CCCCCCCC(=O)O","SZNVIDWMWMWUCY-UHFFFAOYSA-N","395943",NA,"PDBC29646","701061","Present"
-"8-(6-Amino-9H-purin-9-yl)-2,2,4,4-tetraisopropyltetrahydro-6H-furo(3,2-f)(1,3,5,2,4)trioxadisilocin-9-ylamine","","","","","","","","","","","","","","","","","","","","adenosine, 2'-amino-2'-deoxy-3',5'- o-[1,1,3,3-tetrakis(...","","CC(C)[Si]1(OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)N)O[Si](O1)(C(C)C)C(C)C)C(C)C","DSZXWOYSCQODMD-UHFFFAOYSA-N","390181",NA,"PDBC29647","687330","Present"
-"8-(6-Fluorohexyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","","","","","","","","","","","","","","","","","","","","8-(6-Fluorohexyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione","","CN1C(=O)C2(CCN(CC2)CCCCCCF)N(C1=O)C","CGHXRYBTGSMLOS-UHFFFAOYSA-N","380338",NA,"PDBC29648","665864","Present"
-"8-(Benzenesulfonyl)-1,2,3,4-tetrahydroquinoline","","","","","","","","","","","","","","","","","","","","8-Quinol-SO2-Ph","","C1CC2=C(C(=CC=C2)S(=O)(=O)C3=CC=CC=C3)NC1","LAWQRIVTKICLAW-UHFFFAOYSA-N","380123",NA,"PDBC29649","665525","Present"
-"8-(Benzenesulfonyl)-8-[2-(1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.5]dec-9-ene","","","","","","","","","","","","","","","","","","","","6,6-(Ethylenedioxy)-3-[3,3(ethylenedioxy)propyl]-3-(phen...","","C1CC2(C=CC1(CCC3OCCO3)S(=O)(=O)C4=CC=CC=C4)OCCO2","LLJKDTUFFIWAGL-UHFFFAOYSA-N","377226",NA,"PDBC29650","658460","Present"
-"8-(Benzyloxy)-2,3,9-trimethoxybenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","8-(Benzyloxy)-2,3,9-trimethoxybenzo[c]phenanthridine","","COC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC)OCC5=CC=CC=C5)OC","IOLQBFMPVNSVGA-UHFFFAOYSA-N","371212",NA,"PDBC29651","645261","Present"
-"8-(Benzyloxy)-5,7-dimethoxy-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one","","","","","","","","","","","","","","","","","","","","8-(Benzyloxy)-5,7-dimethoxy-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one","","COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=CO5)C=CC=C4OCC6=CC=CC=C6)OC","ZKDAMBXKCOTLBW-UHFFFAOYSA-N","374694",NA,"PDBC29652","652861","Present"
-"8-(Benzyloxy)-5,7-dimethoxy-2-(trimethylsilyl)-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one","","","","","","","","","","","","","","","","","","","","3,20-Dimethoxy-18-phenylmethoxy-7-trimethylsilyl-8,12-dioxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(21),2,4,6,9,13,15,17,19-nonaen-11-one","","COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=C(O5)[Si](C)(C)C)C=CC=C4OCC6=CC=CC=C6)OC","QKKWAAGASGDMQR-UHFFFAOYSA-N","374692",NA,"PDBC29653","652859","Present"
-"8-(Benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-(benzylthiomethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-d...","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CSCC3=CC=CC=C3","FEHAMBYTUPDFJE-UHFFFAOYSA-N","262425",NA,"PDBC29654","95910","Present"
-"8-(Bis(methylthio)methylene)-5,6-dimethoxycyclopenta[ij]isoquinolin-7(8H)-one","","","","","","","","","","","","","","","","","","","","8-(Bis(methylthio)methylene)-5,6-dimethoxycyclopenta[ij]isoquinolin-7(8H)-one","","COC1=C(C2=C3C(=C1)C=CN=C3C(=C(SC)SC)C2=O)OC","WBYOFJLCELJXPP-UHFFFAOYSA-N","363007",NA,"PDBC29655","627546","Present"
-"8-(Cinnamoyloxy)quinoline","","","","","","","","","","","","","","","","","","","","STK182880","","C1=CC=C(C=C1)C=CC(=O)OC2=CC=CC3=C2N=CC=C3","MGYIGSPQIHQSAA-VAWYXSNFSA-N","701842",NA,"PDBC29656","646913","Present"
-"8-(Dimethoxyphosphorylmethyl)-3-methoxy-2-phenyl-chromen-4-one","","","","","","","","","","","","","","","","","","","","8-(Dimethoxyphosphorylmethyl)-3-methoxy-2-phenyl-chromen-4-one","","COC1=C(OC2=C(C=CC=C2C1=O)CP(=O)(OC)OC)C3=CC=CC=C3","JYIDRZCWGQCXLJ-UHFFFAOYSA-N","388157",NA,"PDBC29657","682721","Present"
-"8-(Dimethylamino)-10H-isoindolo[1,2-b]quinazolin-12-one","","","","","","","","","","","","","","","","","","","","8-(Dimethylamino)-10H-isoindolo[1,2-b]quinazolin-12-one","","CN(C)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2","DGPHOBYYTOOJJE-UHFFFAOYSA-N","24202089",NA,"PDBC29658","625616","Present"
-"8-(Dimethylamino)methyleneamino-6-methoxyquinoline","","","","","","","","","","","","","","","","","","","","LS-69605","","CN(C)C=NC1=C2C(=CC(=C1)OC)C=CC=N2","BUXTWLVXBUNDQZ-UHFFFAOYSA-N","16986",NA,"PDBC29659","665668","Present"
-"8-(Ethoxymethyl)-2,2-dimethyl-3,4-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one","","","","","","","","","","","","","","","","","","","","8-(Ethoxymethyl)-2,2-dimethyl-3,4-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one","","CCOCC1=CC(=O)C2=C(O1)C=C3C(=C2)CCC(O3)(C)C","DBNRRYGRPNYFHZ-UHFFFAOYSA-N","362032",NA,"PDBC29660","625531","Present"
-"8-(Hydroxy(oxido)amino)thiopyrano(4,3-b)indole","","","","","","","","","","","","","","","","","","","","8-Nitrothiopyrano[4,3-b]indole","","C1=CC2=C(C=C1[N+](=O)[O-])C3=CSC=CC3=N2","XQKRTZMIIZVRBC-UHFFFAOYSA-N","289127",NA,"PDBC29661","150771","Present"
-"8-(Pentafluoroaniline)-3,6-octadiene pyrophosphate","","","","","","","","","","","","","","","","","","","","8-(Pentafluoroaniline)-3,7-dimethyl-2,6-octadiene pyroph...","","CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNC1=C(C(=C(C(=C1F)F)F)F)F.N","PCKDBUCNCIBQOG-QHTQRYBISA-N","5473020",NA,"PDBC29662","723482","Present"
-"8-(Pentafluoroaniline)-3,6-octadienol","","","","","","","","","","","","","","","","","","","","8-(Pentafluoroaniline)-3,7-dimethyl-2,6-octadienol","","CC(=CCO)CCC=C(C)CNC1=C(C(=C(C(=C1F)F)F)F)F","DZRDNEFLXJIGLO-TXFIJWAUSA-N","5473026",NA,"PDBC29663","723486","Present"
-"8-(Triphenylgermyloxy)quinoline","","","","","","","","","","","","","","","","","","","","8-(Triphenylgermyloxy)quinoline","","C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)(C3=CC=CC=C3)OC4=CC=CC5=C4N=CC=C5","PICPEINIERPLJG-UHFFFAOYSA-N","16683580",NA,"PDBC29664","644929","Present"
-"8-(p-Nitroaniline)-3,6-octadiene pyrophosphate","","","","","","","","","","","","","","","","","","","","8-(p-Nitroaniline)-3,7-dimethyl-2,6-octadiene pyrophosphate","","CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNC1=CC=C(C=C1)[N+](=O)[O-].N","KGDNQVFSLBDPMI-RAIOURIHSA-N","5473018",NA,"PDBC29665","723481","Present"
-"8-(p-Nitroaniline)-3,7-dimethyl-2,6-octadienol","","","","","","","","","","","","","","","","","","","","8-(p-Nitroaniline)-3,7-dimethyl-2,6-octadienol","","CC(=CCO)CCC=C(C)CNC1=CC=C(C=C1)[N+](=O)[O-]","VFTGLKIJFDTNHS-NCLYQNMFSA-N","5473025",NA,"PDBC29666","723485","Present"
-"8-Allyl-2-imino-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","ASN 01280184","","C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)N","NHLQWUMWDBCLPG-UHFFFAOYSA-N","395947",NA,"PDBC29667","701071","Present"
-"8-Amino-10,10-dioxophenoxathiin-2-ol","","","","","","","","","","","","","","","","","","","","8-Aminophenoxathiin-2-ol 10,10-dioxide","","C1=CC2=C(C=C1N)S(=O)(=O)C3=C(O2)C=CC(=C3)O","WHVYFGXMDZWMPK-UHFFFAOYSA-N","289823",NA,"PDBC29668","152120","Present"
-"8-Amino-10-phenylphenazin-2-one","","","","","","","","","","","","","","","","","","","","2(10H)-Phenazinone, 8-amino-10-phenyl- (8CI9CI)","","C1=CC=C(C=C1)N2C3=CC(=O)C=CC3=NC4=C2C=C(C=C4)N","QCHOECSVKPOYKN-UHFFFAOYSA-N","233296",NA,"PDBC29669","31702","Present"
-"8-Amino-11h-isoindolo[2,1-a]benzimidazol-11-one","","","","","","","","","","","","","","","","","","","","8-Amino-11h-isoindolo[2,1-a]benzimidazol-11-one","","C1=CC=C2C(=C1)C3=NC4=C(N3C2=O)C=C(C=C4)N","MMPOGAGHDUYVQF-UHFFFAOYSA-N","377708",NA,"PDBC29670","659299","Present"
-"8-Amino-16-azadispiro[6.1.6^{9}.2^{7}]heptadecan-17-one","","","","","","","","","","","","","","","","","","","","8-Amino-16-azadispiro[6.1.6^{9}.2^{7}]heptadecan-17-one","","C1CCCC2(CC1)C(C3(CCCCCC3)NC2=O)N","VYDUQVXUWUXMJK-UHFFFAOYSA-N","363347",NA,"PDBC29671","628203","Present"
-"8-Amino-4-aza-6-octynylaziridine","","","","","","","","","","","","","","","","","","","","8-amino-4-aza-6-octynylaziridine","","C1CN1CCCNCC#CCN","NPBPFNWIKSGHFB-UHFFFAOYSA-N","381022",NA,"PDBC29672","667006","Present"
-"8-Amino-5-methyl-6-phenylphenanthridin-5-ium bromide","","","","","","","","","","","","","","","","","","","","Phenanthridinium, 8-amino-5-methyl-6-phenyl-bromide","","C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C4=CC=CC=C4.[Br-]","ZWHJMVSYRFESFE-UHFFFAOYSA-M","21144180",NA,"PDBC29673","35441","Present"
-"8-Amino-9-benzylguanine","","","","","","","","","","","","","","","","","","","","8-ABG","","C1=CC=C(C=C1)CN2C3=C(C(=O)NC(=N3)N)N=C2N","DPDYTYOWSIRPMB-UHFFFAOYSA-N","135408972",NA,"PDBC29674","650999","Present"
-"8-Aminoindeno[1,2-b]quinoxalin-11-one","","","","","","","","","","","","","","","","","","","","8-Amino-11H-indeno[1,2-b]quinoxalin-11-one","","C1=CC=C2C(=C1)C3=NC4=C(C=C(C=C4)N)N=C3C2=O","DLFOCGCKKMRJQI-UHFFFAOYSA-N","377392",NA,"PDBC29675","658834","Present"
-"8-Aminoquinoline-5,6-dione","","","","","","","","","","","","","","","","","","","","8-Aminoquinoline-5,6-dione","","C1=CC2=C(C(=CC(=O)C2=O)N)N=C1","WIPMQCOMGHCENO-UHFFFAOYSA-N","279596",NA,"PDBC29676","130785","Present"
-"8-Aniline-3,6-octadiene Methylenediphosphonate","","","","","","","","","","","","","","","","","","","","8-Aniline-3,7-dimethyl-2,6-octadiene Methylenediphosphonate","","CC(=CCOP(=O)(CP(=O)(O)O)O)CCC=C(C)CNC1=CC=CC=C1.N","YTJZCLWKCDETDU-FHFBBBDASA-N","5473022",NA,"PDBC29677","723483","Present"
-"8-Aniline-3,6-octadiene Pyrophosphate","","","","","","","","","","","","","","","","","","","","8-Aniline-3,7-dimethyl-2,6-octadiene Pyrophosphate","","CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNC1=CC=CC=C1.N","QGIJJLZOUPJXAW-NTBORDEGSA-N","5473016",NA,"PDBC29678","723480","Present"
-"8-Aniline-3,6-octadiene-S-L-cysteine","","","","","","","","","","","","","","","","","","","","8-Aniline-3,7-dimethyl-2,6-octadiene-S-L-cysteine","","CC(=CCSCC(C(=O)O)N)CCC=C(C)CNC1=CC=CC=C1","HIBWUMRSDSPMOM-ZYHSJPTQSA-N","5473027",NA,"PDBC29679","723487","Present"
-"8-Aniline-3,7-dimethyl-2,6-octadienol","","","","","","","","","","","","","","","","","","","","8-Aniline-3,7-dimethyl-2,6-octadienol","","CC(=CCO)CCC=C(C)CNC1=CC=CC=C1","JVVQYWITFPUEFG-GGQZXFEVSA-N","5473024",NA,"PDBC29680","723484","Present"
-"8-Anilino-1,3-dimethyl-7H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","STK700967","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3","RXCJTNUAETXUOY-UHFFFAOYSA-N","378526",NA,"PDBC29681","661161","Present"
-"8-Anilinoquinoline-5,6-dione","","","","","","","","","","","","","","","","","","","","NSC89400","","C1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=C2N=CC=C3","AMWHXDZWCAJAAT-UHFFFAOYSA-N","259448",NA,"PDBC29682","89400","Present"
-"8-Aza-CPE-A","","","","","","","","","","","","","","","","","","","","8-Aza-CPE-A","","C1=C(C(C(C1N2C3=NC=NC(=C3N=N2)N)O)O)CO","MKYLDGSBJBSNFN-UHFFFAOYSA-N","355280",NA,"PDBC29683","608621","Present"
-"8-Azaguanine","","","","","","","","","","","","","","","","","","","","8-Azaguanine","","C12=NNN=C1N=C(NC2=O)N","LPXQRXLUHJKZIE-UHFFFAOYSA-N","135403646",NA,"PDBC29684","749","Present"
-"8-Azahypoxanthine","","","","","","","","","","","","","","","","","","","","ae 200","","C1=NC2=NNN=C2C(=O)N1","OEEYCNOOAHGFHL-UHFFFAOYSA-N","135410720",NA,"PDBC29685","22709","Present"
-"8-Azainosine","","","","","","","","","","","","","","","","","","","","NSC130279","","C1=NC2=C(C(=O)N1)N=NN2C3C(C(C(O3)CO)O)O","NNCMCLOTZNUFJG-UHFFFAOYSA-N","135443893",NA,"PDBC29686","130279","Present"
-"8-Benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile","","","","","","","","","","","","","","","","","","","","8-Benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile","","C1CN(C(CC12OCCO2)C#N)C(=O)C3=CC=CC=C3","YWXBZXLIVQMACV-UHFFFAOYSA-N","358289",NA,"PDBC29687","618231","Present"
-"8-Benzyl-1,3,8-triazaspiro[4.5]decan-2-one","","","","","","","","","","","","","","","","","","","","CS-D0365","","C1CN(CCC12CNC(=O)N2)CC3=CC=CC=C3","ZIILOBDVULJBMD-UHFFFAOYSA-N","379978",NA,"PDBC29688","665285","Present"
-"8-Benzyl-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-4-one","","","","","","","","","","","","","","","","","","","","8-Benzyl-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-4-one","","C1CN(CCC12C(=O)OCN2C3=CC=CC=C3)CC4=CC=CC=C4","KEAGWICSOSRQCS-UHFFFAOYSA-N","380263",NA,"PDBC29689","665741","Present"
-"8-Benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","8-Benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid","","C1=CC=C(C=C1)CN2C3C=CC(=O)C2C(C3C(=O)O)C(=O)O","RIJSDQUHLSYCDR-UHFFFAOYSA-N","434893",NA,"PDBC29690","360215","Present"
-"8-Benzyloxyquinoline","","","","","","","","","","","","","","","","","","","","CCRIS 7820","","C1=CC=C(C=C1)COC2=CC=CC3=C2N=CC=C3","FPFKXDKOMIEEPB-UHFFFAOYSA-N","150728",NA,"PDBC29691","646915","Present"
-"8-Benzyltheophylline-7-acetic acid","","","","","","","","","","","","","","","","","","","","NIOSH/UO7452650","","CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CC(=O)O","SDKPPSAEKUFQKQ-UHFFFAOYSA-N","225067",NA,"PDBC29692","14141","Present"
-"8-Bromo-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","8-Bromo-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","C1C2C(C3=C(O1)C=CC(=C3)Br)N(N=C2C4=CC=CC=C4)C5=CC=CC=C5","AHEUPDMAZMYINJ-UHFFFAOYSA-N","371903",NA,"PDBC29693","646487","Present"
-"8-Bromo-11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one","","","","","","","","","","","","","","","","","","","","8-Bromo-11-[2-[2-(diethylaminomethyl)-1-piperidyl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one","","CCN(CC)CC1CCCCN1CC(=O)N2C3=C(C=C(C=C3)Br)C(=O)NC4=C2N=CC=C4","NAHUTNUVFDAUFI-UHFFFAOYSA-N","379653",NA,"PDBC29694","664531","Present"
-"8-Bromo-2,6-ditert-butyl-4,4-bis(trifluoromethyl)-3,1-benzoxazine","","","","","","","","","","","","","","","","","","","","8-Bromo-2,6-ditert-butyl-4,4-bis(trifluoromethyl)-3,1-benzoxazine","","CC(C)(C)C1=CC2=C(C(=C1)Br)N=C(OC2(C(F)(F)F)C(F)(F)F)C(C)(C)C","ATUMGJXHMIQVJU-UHFFFAOYSA-N","358634",NA,"PDBC29695","618644","Present"
-"8-Bromo-2-phenyl-1-aza-azulene","","","","","","","","","","","","","","","","","","","","8-bromo-2-phenyl-1-aza-azulene","","C1=CC=C(C=C1)C2=CC3=CC=CC=C(C3=N2)Br","QNMUGGOJOCUOBL-UHFFFAOYSA-N","368742",NA,"PDBC29696","639896","Present"
-"8-Bromo-3-(2-chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","8-Bromo-3-(2-chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","C1C2C(C3=C(O1)C=CC(=C3)Br)N(N=C2C4=CC=CC=C4Cl)C5=CC=CC=C5","IIFUZKSFQBDFEV-UHFFFAOYSA-N","371899",NA,"PDBC29697","646483","Present"
-"8-Bromo-3-(3-nitrophenyl)-1-phenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","8-Bromo-3-(3-nitrophenyl)-1-phenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole","","C1C2C(C3=C(O1)C=CC(=C3)Br)N(N=C2C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5","USKXNVQGGUMSLO-UHFFFAOYSA-N","371905",NA,"PDBC29698","646489","Present"
-"8-Bromo-3-(4-chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","8-Bromo-3-(4-chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","C1C2C(C3=C(O1)C=CC(=C3)Br)N(N=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5","PHCBCVPVOMIBHS-UHFFFAOYSA-N","371904",NA,"PDBC29699","646488","Present"
-"8-Bromo-4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-bromo-4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one","","","","","","","","","","","","","","","","","","","","8-Bromo-4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-bromo-4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11","","C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3(C4=CC(=C(C=C4)O)Cl)C5=CC(=C(C=C5)O)Cl)Br.C1=CC2=C(C=CC3=C2C(=C1)C(OC3=O)(C4=CC(=C(C=C4)O)Cl)C5=CC(=C(C=C5)O)Cl)Br","NREBNCDEBCZCTC-UHFFFAOYSA-N","403903",NA,"PDBC29700","719490","Present"
-"8-Bromo-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-Bromo-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid","","C1C(CC(=O)C2=C(C=CC(=C21)Br)O)C(=O)O","ZSMZEDKZTKPIIP-UHFFFAOYSA-N","356174",NA,"PDBC29701","611257","Present"
-"8-Bromo-7-[(4-methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","8-bromo-7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5...","","COC1=CC=C(C=C1)CN2C(=C3CCC4=C(C3=C2Br)N=C(S4)N)C5=CC(=C(C(=C5)OC)OC)OC","QLXNDSUCMQDDCZ-UHFFFAOYSA-N","155806799",NA,"PDBC29702","766946","Present"
-"8-Bromo-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","8-Bromo-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide","","C1=CC2=C(C(=C1)Br)OC(=O)C(=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl","HFGYNHSOQJDCMN-UHFFFAOYSA-N","359686",NA,"PDBC29703","621101","Present"
-"8-Bromo-phenothiazone","","","","","","","","","","","","","","","","","","","","8-Bromo-phenothiazone","","C1=CC2=C(C=C1Br)N=C3C=CC(=O)C=C3S2","UIAFEZIAARMPOQ-UHFFFAOYSA-N","369383",NA,"PDBC29704","641145","Present"
-"8-Butan-2-yloxy-1,3,7-trimethylpurine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-(Butan-2-yloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione","","CCC(C)OC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C","JVLWIYUGIAWBJL-UHFFFAOYSA-N","223541",NA,"PDBC29705","11276","Present"
-"8-Chloro-1,2,3,6,7,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-one","","","","","","","","","","","","","","","","","","","","8-Chloro-1,2,3,6,7,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-one","","C1CC2C=C(CCC(=O)N2C1)Cl","KTLZHGMICIFUTM-UHFFFAOYSA-N","372123",NA,"PDBC29706","647068","Present"
-"8-Chloro-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","8-Chloro-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","C1C2C(C3=C(O1)C=CC(=C3)Cl)N(N=C2C4=CC=CC=C4)C5=CC=CC=C5","USZXMYNZUVAVQH-UHFFFAOYSA-N","371902",NA,"PDBC29707","646486","Present"
-"8-Chloro-10-(4-chlorophenyl)-3-methylbenzo[g]pteridine-2,4(3H,10H)-dione","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4-dione, 8-chloro-10-(4-chlorophenyl...","","CN1C(=O)C2=NC3=C(C=C(C=C3)Cl)N(C2=NC1=O)C4=CC=C(C=C4)Cl","GJTZPMOIPVBQSW-UHFFFAOYSA-N","363245",NA,"PDBC29708","627991","Present"
-"8-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","8-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CN1C2=C(C=C(C=C2)Cl)C3=C1C4=C(C=C3)C(=O)C=CC4=O","PSOMQBRYIGZTAE-UHFFFAOYSA-N","378580",NA,"PDBC29709","661220","Present"
-"8-Chloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide","","","","","","","","","","","","","","","","","","","","8-Chloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide","","CC1=CC2=C(C3=C(C2=O)C(=CC=C3)Cl)C(=C1C)C(=O)N","JOUFGOJEGNEWMN-UHFFFAOYSA-N","364126",NA,"PDBC29710","629795","Present"
-"8-Chloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-Chloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxylic acid","","CC1=CC2=C(C3=C(C2=O)C(=CC=C3)Cl)C(=C1C)C(=O)O","TZBWRFSJNNECLF-UHFFFAOYSA-N","362324",NA,"PDBC29711","625960","Present"
-"8-Chloro-2,5,-dioxo-2,3-dihyd ro-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine","","","","","","","","","","","","","","","","","","","","8-Chloro-2,7-dimethyl-3-(dimethylamino)-5,5,-dioxo-2,3-d...","","CC1=CC2=C(C=C1Cl)SC3=NN(C(N3S2(=O)=O)N(C)C)C","BNFACOTTZUKGOQ-UHFFFAOYSA-N","24206079",NA,"PDBC29712","740016","Present"
-"8-Chloro-2,5,5,-trioxo-2H-[1,2,3,5]thiatriazolo [4,5-b][1,4,2]benzodithiazine","","","","","","","","","","","","","","","","","","","","8-Chloro-2,7-dimethyl-3,5,5,-trioxo-2H-[1,2,3,5]thiatria...","","CC1=CC2=C(C=C1Cl)SC3=NN(S(=O)N3S2(=O)=O)C","RYLAOGKMABRMDF-UHFFFAOYSA-N","24206082",NA,"PDBC29713","740019","Present"
-"8-Chloro-2,7-trimethyl-5,5-dioxo-2,3-dihydro-[1,2,4]triazo lo[4,3-b][1,4,2]benzodithiazine","","","","","","","","","","","","","","","","","","","","8-Chloro-2,3,7-trimethyl-5,5-dioxo-2,3-dihydro-[1,2,4]tr...","","CC1N(N=C2N1S(=O)(=O)C3=C(S2)C=C(C(=C3)C)Cl)C","KIOWJGIWHRPPRC-UHFFFAOYSA-N","24206078",NA,"PDBC29714","740015","Present"
-"8-Chloro-2-cyclohexyl-3H-quinazolin-4-one","","","","","","","","","","","","","","","","","","","","8-Chloro-2-cyclohexylquinazolin-4(1H)-one","","C1CCC(CC1)C2=NC3=C(C=CC=C3Cl)C(=O)N2","BBCWMQLQTZUCOF-UHFFFAOYSA-N","135408204",NA,"PDBC29715","627405","Present"
-"8-Chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione","","","","","","","","","","","","","","","","","","","","8-Chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione","","C1C(SC2=C(C=CC(=C2)Cl)NC1=S)C3=CC=CC=C3","XQEPBFCWLOZDIO-UHFFFAOYSA-N","3005002",NA,"PDBC29716","667461","Present"
-"8-Chloro-2-phenylquinolin-4-ol","","","","","","","","","","","","","","","","","","","","ACM439147123","","C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C(=CC=C3)Cl","FKESBVHFFXMUOC-UHFFFAOYSA-N","373180",NA,"PDBC29717","649129","Present"
-"8-Chloro-2-piperazin-1-yl-6-pyrrolidin-1-yl-7H-purine","","","","","","","","","","","","","","","","","","","","8-Chloro-2-piperazin-1-yl-6-pyrrolidin-1-yl-7H-purine","","C1CCN(C1)C2=NC(=NC3=C2NC(=N3)Cl)N4CCNCC4","IWAHIULAFFMPDS-UHFFFAOYSA-N","6712882",NA,"PDBC29718","717852","Present"
-"8-Chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","8-Chloro-3,7-dimethyl[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine 5,5-dioxide","","CC1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)C","MTBVWWAHFZFESK-UHFFFAOYSA-N","384340",NA,"PDBC29719","674025","Present"
-"8-Chloro-3-(2-hydroxyphenyl)-2-methyl-5,3-dihydro-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine","","","","","","","","","","","","","","","","","","","","8-Chloro-3-(2-hydroxyphenyl)-2-methyl-5,5-dioxo-2,3-dihy...","","CC1=CC2=C(C=C1Cl)SC3=NN(C(N3S2(=O)=O)C4=CC=CC=C4O)C","PHVMSKOMWIHROL-UHFFFAOYSA-N","24206081",NA,"PDBC29720","740018","Present"
-"8-Chloro-3-(3,2,4-triazol o[4,3-b][1,2,4]benzodithiazine-5,5-dioxide","","","","","","","","","","","","","","","","","","","","8-chloro-3-(3,5-dimethoxyphenylamino)-7-methyl-1,2,4-tri...","","CC1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)NC4=CC(=CC(=C4)OC)OC","JTJKRUAONDGUQN-UHFFFAOYSA-N","404436",NA,"PDBC29721","720641","Present"
-"8-Chloro-3-(3,5-dimethylanilino)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile","","","","","","","","","","","","","","","","","","","","8-chloro-7-cyano-3-(3,5-dimethylphenylamino)-1,2,4-triaz...","","CC1=CC(=CC(=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C#N)Cl)C","FSNBMYRSBZDERO-UHFFFAOYSA-N","405676",NA,"PDBC29722","723133","Present"
-"8-Chloro-3-(4-methylphenylamino)-7-methoxycarbonyl-1,4-tri azolo[4,3-b][1,2,4]benzodithiazine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","8-chloro-3-(4-methylphenylamino)-7-methoxycarbonyl-1,2,4...","","CC1=CC=C(C=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C(=O)OC)Cl","BPNWIHSWBIGWGL-UHFFFAOYSA-N","404438",NA,"PDBC29723","720643","Present"
-"8-Chloro-3-(naphthalen-1-ylamino)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile","","","","","","","","","","","","","","","","","","","","8-Chloro-7-cyano-3-(1-naphthylamino)-5,5-dioxo[1,2,4]tri...","","C1=CC=C2C(=C1)C=CC=C2NC3=NN=C4N3S(=O)(=O)C5=C(S4)C=C(C(=C5)C#N)Cl","IXXLANTTYYZKPE-UHFFFAOYSA-N","406667",NA,"PDBC29724","724907","Present"
-"8-Chloro-3-methyl-5-(3-methyl-2-butenyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","8-Chloro-3-methyl-5-(3-methyl-2-butenyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","CC1CN(C2=C(C=C(C=C2)Cl)NC1=O)CC=C(C)C","IEKPKTYPUHPWGX-UHFFFAOYSA-N","377484",NA,"PDBC29725","658952","Present"
-"8-Chloro-3-phenyl-7-methyl-5,3-c][1,5,2]benzodithiazepin-2-one","","","","","","","","","","","","","","","","","","","","8-Chloro-3-phenyl-7-methyl-5,5-dioxo-2H-pyrrolo[2,3-c][1...","","CC1=CC2=C(C=C1Cl)SC3=CC(=O)N(C3=NS2(=O)=O)C4=CC=CC=C4","ZCPPGNWHNUHZHA-UHFFFAOYSA-N","24203097",NA,"PDBC29726","726721","Present"
-"8-Chloro-3-phenylamino-7-methoxycarbonyl-1,4-triazolo[4,3-b][1,2,4]benzodithiazine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","8-chloro-3-phenylamino-7-methoxycarbonyl-1,2,4-triazolo[...","","COC(=O)C1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)NC4=CC=CC=C4","HJBCCCULLYRLMA-UHFFFAOYSA-N","404437",NA,"PDBC29727","720642","Present"
-"8-Chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one","","","","","","","","","","","","","","","","","","","","8-Chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one","","C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)Cl.C1=CC2=C(C=CC3=C2C(=C1)C(OC3=O)(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)Cl","NHDORYPFBIAQEF-UHFFFAOYSA-N","403900",NA,"PDBC29728","719489","Present"
-"8-Chloro-4-(2-chloroethylimino)-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-10-one","","","","","","","","","","","","","","","","","","","","8-Chloro-4-(2-chloroethylamino)-3,3a-dihydro-1H-thiazolo[4,3-c][1,4]benzodiazepin-10-one","","C1C2C(=NCCCl)NC3=C(C=C(C=C3)Cl)C(=O)N2CS1","GRTRBFAWGBVBRM-UHFFFAOYSA-N","135450447",NA,"PDBC29729","683499","Present"
-"8-Chloro-4-cyclopentylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","","","","","","","","","","","","","","","","","","","8-Chloro-4-cyclopentylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","C1CCC(C1)N=C2C3CSCN3C(=S)C4=C(N2)C=CC(=C4)Cl","FVAPDYGZWZZXLM-UHFFFAOYSA-N","135442872",NA,"PDBC29730","683494","Present"
-"8-Chloro-4-hydrazinyl-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","","","","","","","","","","","","","","","","","","","8-Chloro-4-hydrazinyl-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione","","C1C2C(=NC3=C(C=C(C=C3)Cl)C(=S)N2CS1)NN","HATWQKDDHAGOLG-UHFFFAOYSA-N","3005214",NA,"PDBC29731","683493","Present"
-"8-Chloro-4-imino-12,24-dithia-1,5,14,16-tetrazaheptacyclo[15.13.0.03,15.05,13.06,11.018,23.025,30]triaconta-3(15),6(11),7,9,13,16,18,20,22,25,27,29-dodecaen-2-one","","","","","","","","","","","","","","","","","","","","8-Chloro-4-imino-12,24-dithia-1,5,14,16-tetrazaheptacyclo[15.13.0.03,15.05,13.06,11.018,23.025,30]triaconta-3(15),6(11),7,9,13,16,18,20,22,25,27,29-dodecaen-2-one","","C1=CC=C2C(=C1)C3=NC4=C(C(=N)N5C6=C(C=CC(=C6)Cl)SC5=N4)C(=O)N3C7=CC=CC=C7S2","RZVMYZLODIBHOZ-UHFFFAOYSA-N","60148254",NA,"PDBC29732","754054","Present"
-"8-Chloro-4-methyl-2,3-dihydro-furo[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","8-Chloro-4-methyl-2,3-dihydro-furo[3,2-c]quinoline","","CC1=C2CCOC2=C3C=C(C=CC3=N1)Cl","KGUGXKPDOPTYLQ-UHFFFAOYSA-N","387227",NA,"PDBC29733","680789","Present"
-"8-Chloro-4-methyl-2,3-dihydrothieno[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","AO-476/14512029","","CC1=C2CCSC2=C3C=C(C=CC3=N1)Cl","CQHXUEIARMMZLA-UHFFFAOYSA-N","379744",NA,"PDBC29734","664716","Present"
-"8-Chloro-4-methyl-5-(3-methyl-2-butenyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","8-Chloro-4-methyl-5-(3-methyl-2-butenyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","CC1CC(=O)NC2=C(N1CC=C(C)C)C=CC(=C2)Cl","IOCUYXCEXAOKSZ-UHFFFAOYSA-N","377485",NA,"PDBC29735","658953","Present"
-"8-Chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carbonitrile","","","","","","","","","","","","","","","","","","","","8-Chloroimidazo[1,2-b][1,4,2]benzodithiazine-7-carbonitrile 5,5-dioxide","","C1=CN2C(=N1)SC3=C(S2(=O)=O)C=C(C(=C3)Cl)C#N","YLSUVYSBUWYBGM-UHFFFAOYSA-N","387415",NA,"PDBC29736","681163","Present"
-"8-Chloro-5-(cyclopropylcarbonyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","","","","","","","","","","","","","","","","","","","8-Chloro-5-(cyclopropylcarbonyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one","","CC1CC(=O)NC2=C(N1C(=O)C3CC3)C=CC(=C2)Cl","SUGROISCIHVAMI-UHFFFAOYSA-N","377488",NA,"PDBC29737","658956","Present"
-"8-Chloro-5-ethyl-6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-Chloro-5-ethyl-6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid","","CCN1C2=CC3=C(C=C2C(=C(C1=O)C(=O)O)Cl)OCO3","PPUCXEZSKLEHIL-UHFFFAOYSA-N","362132",NA,"PDBC29738","625707","Present"
-"8-Chloro-5-methyl-2-phenyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","8-Chloro-5-methyl-2-phenylquinolin-4(1H)-one","","CC1=C2C(=O)C=C(NC2=C(C=C1)Cl)C3=CC=CC=C3","LCZVTJHZBPWWFD-UHFFFAOYSA-N","380408",NA,"PDBC29739","665930","Present"
-"8-Chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile","","","","","","","","","","","","","","","","","","","","Pyrazolo[5,1-c][1,2,4]benzotriazine-3-carbonitrile, 8-ch...","","C1=CC2=C(C=C1Cl)N3C(=C(C=N3)C#N)N=[N+]2[O-]","AQUXOTGLIDBSPY-UHFFFAOYSA-N","388426",NA,"PDBC29740","683334","Present"
-"8-Chloro-6-nitro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine","","","","","","","","","","","","","","","","","","","","1,2,4-Triazolo[4,3-a]pyrazin-5-amine, 8-chloro-6-nitro-","","C1=NN=C2N1C(=C(N=C2Cl)[N+](=O)[O-])N","ZFLXGYCPGIXCRA-UHFFFAOYSA-N","371811",NA,"PDBC29741","646277","Present"
-"8-Chloro-7-methyl-5,5-dioxo-2H-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-one","","","","","","","","","","","","","","","","","","","","8-Chloro-7-methyl[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3(2h)-one 5,5-dioxide","","CC1=CC2=C(C=C1Cl)SC3=NNC(=O)N3S2(=O)=O","GMTZQHYVARYBMC-UHFFFAOYSA-N","384339",NA,"PDBC29742","674024","Present"
-"8-Chloro-7-methyl-5,5-dioxo-N-phenyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine","","","","","","","","","","","","","","","","","","","","8-Chloro-7-methyl-5,5-dioxo-N-phenyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine","","CC1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)NC4=CC=CC=C4","PILQBHPXSSBFKZ-UHFFFAOYSA-N","400657",NA,"PDBC29743","713019","Present"
-"8-Chloro-7-methyl-N-(4-methylphenyl)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine","","","","","","","","","","","","","","","","","","","","8-Chloro-7-methyl-N-(4-methylphenyl)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine","","CC1=CC=C(C=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C)Cl","VOHDHBRXNPVXBN-UHFFFAOYSA-N","400656",NA,"PDBC29744","713018","Present"
-"8-Chloro-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-amine","","","","","","","","","","","","","","","","","","","","8-Chloro-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-amine","","C1CCOC2=C(C=C(C(=C2N)Cl)[N+](=O)[O-])OC1","WBPLSTPWPZTSRV-UHFFFAOYSA-N","379726",NA,"PDBC29745","664700","Present"
-"8-Chloro-N,N,6,11-tetramethyl-5,6-dihydropyrimido[4,5-b][1]benzazepin-4-amine","","","","","","","","","","","","","","","","","","","","8-chloro-N,N,6,11-tetramethyl-6,11-dihydro-5H-benzo[b]py...","","CC1CC2=C(N=CN=C2N(C)C)N(C3=C1C=C(C=C3)Cl)C","DCWKPCFYNQTOPQ-UHFFFAOYSA-N","155811656",NA,"PDBC29746","786138","Present"
-"8-Chloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","8-Chloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide","","C1=CC2=C(C(=C1)Cl)OC(=O)C(=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl","OGMVVDUUSOJPEV-UHFFFAOYSA-N","359685",NA,"PDBC29747","621100","Present"
-"8-Chloro-N-(3,5-dimethylphenyl)-7-methyl-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine","","","","","","","","","","","","","","","","","","","","8-chloro-3-(3,5-dimethylphenylamino)-7-methyl-1,2,4-tria...","","CC1=CC(=CC(=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C)Cl)C","VDPQLKVMUYRYRK-UHFFFAOYSA-N","405677",NA,"PDBC29748","723134","Present"
-"8-Chloro-N-(4-chlorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","","","","","","","","","","","","","","","","","","","8-Chloro-N-(4-chlorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2Cl)SC4=NC=CN4S3(=O)=O)Cl","CIIDCYJRCLXUIS-UHFFFAOYSA-N","387419",NA,"PDBC29749","681167","Present"
-"8-Chloro-N-(4-fluorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","","","","","","","","","","","","","","","","","","","8-Chloro-N-(4-fluorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2Cl)SC4=NC=CN4S3(=O)=O)F","ILCWJYAIRMWYBD-UHFFFAOYSA-N","387420",NA,"PDBC29750","681168","Present"
-"8-Chloro-N-[2-(dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","8-Chloro-N-[2-(dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide","","CN(C)CCNC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=C(N3)C=CC(=C4)Cl","AUDVSBATFORCND-UHFFFAOYSA-N","44139299",NA,"PDBC29751","741237","Present"
-"8-Chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","8-Chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC=C3Cl)N=C21.Cl","OGKUVFKOLGVINY-UHFFFAOYSA-N","358136",NA,"PDBC29752","617968","Present"
-"8-Chloro-N-phenylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide 5,5-dioxide","","","","","","","","","","","","","","","","","","","","8-Chloro-N-phenylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide 5,5-dioxide","","C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2Cl)SC4=NC=CN4S3(=O)=O","VYWCMLMXSIBPEU-UHFFFAOYSA-N","387417",NA,"PDBC29753","681165","Present"
-"8-Chloro-cyclicamp","","","","","","","","","","","","","","","","","","","","8-CHLORO-CYCLICAMP","","C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O.[Na+]","NAYRKCVLBMVLNQ-UHFFFAOYSA-N","17856967",NA,"PDBC29754","614491","Present"
-"8-Chloroadenosine 3',5'-cyclic monophosphate","","","","","","","","","","","","","","","","","","","","Adenosine, 8-chloro-, cyclic 3',5'-(hydrogen phosphate)","","C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O","CLLFEJLEDNXZNR-UHFFFAOYSA-N","323587",NA,"PDBC29755","284751","Present"
-"8-Cyano-5-methyl-3-oxo-7-(4-pyridyl)-7H-thiazolo[3,2-a]pyridine-6-carboxamide","","","","","","","","","","","","","","","","","","","","6-Carbamoyl-8-cyano-5-methyl-3-oxo-7-(4-pyridyl)-2,3,4,7...","","CC1=C(C(C(=C2N1C(=O)CS2)C#N)C3=CC=NC=C3)C(=O)N","ICIBIWCDHWQFBW-UHFFFAOYSA-N","393572",NA,"PDBC29756","695641","Present"
-"8-Dimethylamino-2, hemizinc chloride","","","","","","","","","","","","","","","","","","","","Meldola's Blue","","CN(C)C1=CC2=CC3=C(C=C2C=C1)NC4=CC=CC=C4O3.Cl[Zn]Cl","VXXQQPYDQNDUDT-UHFFFAOYSA-L","357925",NA,"PDBC29757","617591","Present"
-"8-Ethoxy-2,3,9-trimethoxybenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","8-Ethoxy-2,3,9-trimethoxybenzo[c]phenanthridine","","CCOC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)N=CC2=C1)OC","WUZPDVYKQBJBLE-UHFFFAOYSA-N","371252",NA,"PDBC29758","645310","Present"
-"8-Ethoxy-4-hydroxy-1-oxo-6-phenyl-1,7]naphthyridine-3-carboxylic acid (2,4-dihydroxy-benzylidene)-hydrazide","","","","","","","","","","","","","","","","","","","","8-Ethoxy-4-hydroxy-1-oxo-6-phenyl-1,2-dihydro-[2,7]napht...","","CCOC1=C2C(=CC(=N1)C3=CC=CC=C3)C(=C(NC2=O)C(=O)NN=CC4=C(C=C(C=C4)O)O)O","ZHRXTCAIJBZJSK-BRJLIKDPSA-N","135968282",NA,"PDBC29759","747284","Present"
-"8-Ethoxyquinoline","","","","","","","","","","","","","","","","","","","","CCRIS 7822","","CCOC1=CC=CC2=C1N=CC=C2","UGRGZOJMYMJWLZ-UHFFFAOYSA-N","73781",NA,"PDBC29760","646914","Present"
-"8-Ethyl-2-pent-4-enyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one","","","","","","","","","","","","","","","","","","","","8-Ethyl-2-pent-4-enyl-6,7-dihydro-5h-thiazolo[3,2-a]pyridin-3-one","","CCC1=C2N(CCC1)C(=O)C(S2)CCCC=C","BZFHOHLKZCGDSY-UHFFFAOYSA-N","397455",NA,"PDBC29761","705313","Present"
-"8-Ethyl-4,12-dimethoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one","","","","","","","","","","","","","","","","","","","","8-Ethyl-4,12-dimethoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one","","CCC1CCC2=C(C1)C(=O)OC3=C4C(=C(C=C23)OC)C=CC=C4OC","JMHCSLMTGSUWIO-UHFFFAOYSA-N","376096",NA,"PDBC29762","656579","Present"
-"8-Ethyl-5-oxo-2,3,5,8-tetrahydrothieno[3,2-g]quinoline-6-carboxylic acid 1,1-dioxide","","","","","","","","","","","","","","","","","","","","8-Ethyl-5-oxo-2,3,5,8-tetrahydrothieno[3,2-g]quinoline-6-carboxylic acid 1,1-dioxide","","CCN1C=C(C(=O)C2=C1C=C3C(=C2)CCS3(=O)=O)C(=O)O","FZYNCQAIRAUVKB-UHFFFAOYSA-N","376959",NA,"PDBC29763","658159","Present"
-"8-Ethylnaphtho[2',1':4,5]furo[2,3-c]pyridin-10-ol","","","","","","","","","","","","","","","","","","","","8-Ethylnaphtho[2',1':4,5]furo[2,3-c]pyridin-10-ol","","CCC1=CC2=C(C(=O)N1)OC3=C2C=CC4=CC=CC=C43","JQJGIQWPBDYABK-UHFFFAOYSA-N","378992",NA,"PDBC29764","662584","Present"
-"8-Ethylnorcoralyne","","","","","","","","","","","","","","","","","","","","CORALYNE, NOR, 8-ETHYL","","CCC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.CC(C(=O)[O-])S(=O)(=O)O","AOMPOHIYVPAGAD-UHFFFAOYSA-M","5458339",NA,"PDBC29765","156625","Present"
-"8-Fluoro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","8-Fluoro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CN1C2=C(C=C(C=C2)F)C3=C1C4=C(C=C3)C(=O)C=CC4=O","WZEIPRXRCWJHHE-UHFFFAOYSA-N","381772",NA,"PDBC29766","668844","Present"
-"8-Fluoro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide","","","","","","","","","","","","","","","","","","","","8-Fluoro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide","","CC1=CC2=C(C3=C(C2=O)C(=CC=C3)F)C(=C1C)C(=O)N","FTTBRPHYHQYKHT-UHFFFAOYSA-N","364125",NA,"PDBC29767","629794","Present"
-"8-Fluoro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-Fluoro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxylic acid","","CC1=CC2=C(C3=C(C2=O)C(=CC=C3)F)C(=C1C)C(=O)O","LQHJFUMIVUGJGE-UHFFFAOYSA-N","362325",NA,"PDBC29768","625961","Present"
-"8-Fluoro-2-methyl-6,11-dihydro-[1]benzoxepino[4,3-b]indol-12-one","","","","","","","","","","","","","","","","","","","","8-Fluoro-2-methyl-6,11-dihydro-[1]benzoxepino[4,3-b]indol-12-one","","CC1=CC2=C(C=C1)OCC3=C(C2=O)NC4=C3C=C(C=C4)F","BAYSZDQDPOLPTP-UHFFFAOYSA-N","384673",NA,"PDBC29769","674717","Present"
-"8-Fluoro-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-Fluoro-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid","","C1C(SC2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)F)C(=O)O","JCIBLYGLPXNFQP-UHFFFAOYSA-N","393916",NA,"PDBC29770","696889","Present"
-"8-Fluoro-4-methyl-2,3-dihydrothieno[3,2-c]quinoline","","","","","","","","","","","","","","","","","","","","AO-476/43380503","","CC1=C2CCSC2=C3C=C(C=CC3=N1)F","DZCPESXHDMQXDJ-UHFFFAOYSA-N","387222",NA,"PDBC29771","680784","Present"
-"8-Fluoro-5-methyl-2-phenyl-1H-quinolin-4-one","","","","","","","","","","","","","","","","","","","","8-Fluoro-5-methyl-2-phenylquinolin-4(1H)-one","","CC1=C2C(=O)C=C(NC2=C(C=C1)F)C3=CC=CC=C3","LIHGUAYEIXREGY-UHFFFAOYSA-N","380402",NA,"PDBC29772","665924","Present"
-"8-Fluorobenzo[a]pyrene","","","","","","","","","","","","","","","","","","","","LS-40021","","C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5)F)C=C2","NGTRARPAYZCLIC-UHFFFAOYSA-N","51254",NA,"PDBC29773","623137","Present"
-"8-Hydroxy-1,2,3,5-tetramethoxy-6-methyl-9,10-anthraquinone","","","","","","","","","","","","","","","","","","","","8-Hydroxy-1,2,3,5-tetramethoxy-6-methylanthracene-9,10-dione","","CC1=CC(=C2C(=C1OC)C(=O)C3=CC(=C(C(=C3C2=O)OC)OC)OC)O","ZEHCTIWURTZYHV-UHFFFAOYSA-N","385561",NA,"PDBC29774","676833","Present"
-"8-Hydroxy-10-methyldipyrido[1,2-a:2',3'-d]imidazole-6(10H)-one","","","","","","","","","","","","","","","","","","","","11-Hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one","","CN1C2=CC(=CC(=O)N2C3=C1N=CC=C3)O","BDQBPXMWPHGVGH-UHFFFAOYSA-N","54688719",NA,"PDBC29775","701588","Present"
-"8-Hydroxy-11h-isoindolo[2,1-a]benzimidazol-11-one","","","","","","","","","","","","","","","","","","","","8-Hydroxy-11h-isoindolo[2,1-a]benzimidazol-11-one","","C1=CC=C2C(=C1)C3=NC4=C(N3C2=O)C=C(C=C4)O","KSSMLDDXENLQON-UHFFFAOYSA-N","377704",NA,"PDBC29776","659295","Present"
-"8-Hydroxy-15-methyl-3-[[(2R)-4-methyl-2-phenyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione","","","","","","","","","","","","","","","","","","","","Benzo[h][1]benzopyrano[5,4,3-cde][1] benzopyran-5,12-dio...","","CC1C(C(C(C(O1)OC2C3C(C(OC2OC4=CC=CC5=C4C6=C7C8=C(C=CC(=C8C(=O)O6)C)OC(=O)C7=C5O)C)OC(O3)C9=CC=CC=C9)O)O)O","XFXSVFLGSJQVAJ-RTGPMSLNSA-N","5388862",NA,"PDBC29777","639832","Present"
-"8-Hydroxy-2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-13-carbaldehyde","","","","","","","","","","","","","","","","","","","","8-Hydroxy-2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-13-carbaldehyde","","COC1=C(C2=C(C=C1)C(=C3C4=CC(=C(C=C4CCN3C2O)OC)OC)C=O)OC","SFSWKAZCUINXLS-UHFFFAOYSA-N","397864",NA,"PDBC29778","706487","Present"
-"8-Hydroxy-2-methylquinazolin-4(3H)-one","","","","","","","","","","","","","","","","","","","","8-Hydroxy-2-methylquinazolin-4-[3H]-one","","CC1=NC2=C(C=CC=C2O)C(=O)N1","YJDAOHJWLUNFLX-UHFFFAOYSA-N","135398517",NA,"PDBC29779","696807","Present"
-"8-Hydroxy-3,3a,3b,8,12b,12c-hexahydro-1H-dibenzo[3',4':6',7']cyclohepta[1',2':3,4]cyclobuta[1,2-c]furan-1-one","","","","","","","","","","","","","","","","","","","","8-Hydroxy-18-oxapentacyclo[13.5.0.02,7.09,14.016,20]icosa-2,4,6,9,11,13-hexaen-17-one","","C1C2C3C(C2C(=O)O1)C4=CC=CC=C4C(C5=CC=CC=C35)O","KAFDISJYHBMFEQ-UHFFFAOYSA-N","361869",NA,"PDBC29780","625190","Present"
-"8-Hydroxy-3-phenylisocoumarin","","","","","","","","","","","","","","","","","","","","8-hydroxy-3-phenylisocoumarin","","C1=CC=C(C=C1)C2=CC3=C(C(=CC=C3)O)C(=O)O2","WDSXRDGRRIEXIA-UHFFFAOYSA-N","5473194",NA,"PDBC29781","724384","Present"
-"8-Hydroxy-4-methylbicyclo[3.2.1]oct-3-ene-1-carbonitrile","","","","","","","","","","","","","","","","","","","","8-Hydroxy-4-methylbicyclo[3.2.1]oct-3-ene-1-carbonitrile","","CC1=CCC2(CCC1C2O)C#N","CHNUITIQPYYPJL-UHFFFAOYSA-N","371760",NA,"PDBC29782","646203","Present"
-"8-Hydroxy-5,7-dimethoxy-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one","","","","","","","","","","","","","","","","","","","","8-Hydroxy-5,7-dimethoxy-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one","","COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=CO5)C=CC=C4O)OC","GZMUMQPGRQFPMK-UHFFFAOYSA-N","374697",NA,"PDBC29783","652864","Present"
-"8-Hydroxy-5,7-dimethoxy-2-(trimethylsilyl)-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one","","","","","","","","","","","","","","","","","","","","8-Hydroxy-5,7-dimethoxy-2-(trimethylsilyl)-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one","","COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=C(O5)[Si](C)(C)C)C=CC=C4O)OC","HOKXZLCKQQDJSW-UHFFFAOYSA-N","374693",NA,"PDBC29784","652860","Present"
-"8-Hydroxy-5-quinolyl phenyl ketone","","","","","","","","","","","","","","","","","","","","5-BENZOYLQUINOLIN-8-OL","","C1=CC=C(C=C1)C(=O)C2=C3C=CC=NC3=C(C=C2)O","JVHWRVMKLLDQHF-UHFFFAOYSA-N","241492",NA,"PDBC29785","48892","Present"
-"8-Hydroxy-7,7,9,9-tetramethyl-3-oxa-1,8-diazaspiro[4.5]decane-2,4-dione","","","","","","","","","","","","","","","","","","","","8-Hydroxy-7,7,9,9-tetramethyl-3-oxa-1,8-diazaspiro[4.5]decane-2,4-dione","","CC1(CC2(CC(N1O)(C)C)C(=O)OC(=O)N2)C","YZRJCFCIQDKURD-UHFFFAOYSA-N","357338",NA,"PDBC29786","615605","Present"
-"8-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid","","","","","","","","","","","","","","","","","","","","8-hydroxy-7-((6-sulfonaphthalen-2-yl) diazenyl)quinoline...","","C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O","XGMFVZOKHBRUTL-UHFFFAOYSA-N","92577",NA,"PDBC29787","87877","Present"
-"8-Hydroxy-7-[a-(4-nitroanilino)benzyl]quinoline","","","","","","","","","","","","","","","","","","","","7-[.ALPHA.-(P-NITROANILINO)BENZYL]-8-QUINOLINOL","","C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)[N+](=O)[O-]","NIPBFFNWSFCRBD-UHFFFAOYSA-N","219563",NA,"PDBC29788","1010","Present"
-"8-Hydroxy-7-nitro-tetralin-1-one","","","","","","","","","","","","","","","","","","","","8-hydroxy-7-nitro-tetralin-1-one","","C1CC2=C(C(=O)C1)C(=C(C=C2)[N+](=O)[O-])O","AYORUTMZIUZUQO-UHFFFAOYSA-N","361683",NA,"PDBC29789","624901","Present"
-"8-Hydroxy-7-phenyl-2,3-dihydropyrido[3,4-d]pyridazine-1,4-dione","","","","","","","","","","","","","","","","","","","","8-hydroxy-7-phenyl-2,3-dihydropyrido[3,4-d]pyridazine-1,...","","C1=CC=C(C=C1)C2=NC=C3C(=C2O)C(=O)NNC3=O","CFOHIHSCIGCUAR-UHFFFAOYSA-N","12324632",NA,"PDBC29790","782303","Present"
-"8-Hydroxybicyclo[3.3.1]non-6-en-3-one","","","","","","","","","","","","","","","","","","","","Bicyclo[3.3.1]non-3-en-2-ol-7-one","","C1C2CC(=O)CC1C(C=C2)O","PEVQSKXVVDPQIT-UHFFFAOYSA-N","376749",NA,"PDBC29791","657803","Present"
-"8-Hydroxymanzamine A","","","","","","","","","","","","","","","","","","","","8-Hydroxymanzamine A","","C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C6=NC=CC7=C6NC8=C7C=CC=C8O","AMSNINGPDSUBHZ-FEPATLFLSA-N","5468481",NA,"PDBC29792","670852","Present"
-"8-Hydroxyoctadecanoic acid","","","","","","","","","","","","","","","","","","","","LMFA02000126","","CCCCCCCCCCC(CCCCCCC(=O)O)O","YYWHSFVJGXJTKD-UHFFFAOYSA-N","361944",NA,"PDBC29793","625429","Present"
-"8-Hydroxyquinoline salicylate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-hydroxy-, compd. with 8-quinolinol (1:1)...","","C1=CC=C(C(=C1)C(=O)O)O.C1=CC2=C(C(=C1)O)N=CC=C2","GOEKBPHGLUYFOX-UHFFFAOYSA-N","142766",NA,"PDBC29794","3907","Present"
-"8-Hydroxyquinoline-2,5,6(1h)-trione","","","","","","","","","","","","","","","","","","","","2,5,8(1H)-Quinolinetrione, 6-hydroxy- (8CI)","","C1=CC(=O)NC2=C1C(=O)C(=O)C=C2O","ZWAPXFSJEWYYJE-UHFFFAOYSA-N","268237",NA,"PDBC29795","108379","Present"
-"8-Hydroxyquinoline-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","2196AB","","C1=CC2=C(C=CC(=C2N=C1)O)C=O","LIADJWREMDHKHQ-UHFFFAOYSA-N","275363",NA,"PDBC29796","122131","Present"
-"8-Hydroxyquinoline-7-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC27445","","C1=CC2=C(C(=C(C=C2)C(=O)O)O)N=C1","JYIAZVFJRYLCBH-UHFFFAOYSA-N","231363",NA,"PDBC29797","27445","Present"
-"8-Imidazol-1-ylsulfonyl-2,3,4,11-tetrahydropyrimido[1,2-b][1,2,4]benzothiadiazine 6,6-dioxide","","","","","","","","","","","","","","","","","","","","8-(1H-Imidazol-1-ylsulfonyl)-2,3,4,11-tetrahydropyrimido[1,2-b][1,2,4]benzothiadiazine 6,6-dioxide","","C1CN=C2NC3=C(C=C(C=C3)S(=O)(=O)N4C=CN=C4)S(=O)(=O)N2C1","AAHQPNUNMIWCTJ-UHFFFAOYSA-N","364399",NA,"PDBC29798","630547","Present"
-"8-Imino-1-methyl-2-methylsulfanyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-7H-purin-6-one","","","","","","","","","","","","","","","","","","","","8-Imino-1-methyl-2-methylsulfanyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-7H-purin-6-one","","CN1C(=O)C2=C(N=C1SC)N(C(=N2)N)C3C(C(C(CO3)O)O)O","HCNZUFTYFCPWCS-UHFFFAOYSA-N","363663",NA,"PDBC29799","628729","Present"
-"8-Imino-2-methoxy-1-methyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-7H-purin-6-one","","","","","","","","","","","","","","","","","","","","8-Imino-2-methoxy-1-methyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-7H-purin-6-one","","CN1C(=O)C2=C(N=C1OC)N(C(=N2)N)C3C(C(C(CO3)O)O)O","RFZBOQBHSLUDOM-UHFFFAOYSA-N","363659",NA,"PDBC29800","628725","Present"
-"8-Isopropoxy-2,3,9-trimethoxybenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","8-Isopropoxy-2,3,9-trimethoxybenzo[c]phenanthridine","","CC(C)OC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)N=CC2=C1)OC","QRVXBBVLFBVRQB-UHFFFAOYSA-N","371234",NA,"PDBC29801","645293","Present"
-"8-Isopropyl-4,4,11a-trimethyl-2,9-dioxo-2,3,4,9,11,11a-hexahydrobenzo[5,6]cyclohepta[1,2-b]pyran-10-yl acetate","","","","","","","","","","","","","","","","","","","","(3,7,7-Trimethyl-5,14-dioxo-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraen-15-yl) acetate","","CC(C)C1=CC2=CC=C3C(CC(=O)OC3(CC2=C(C1=O)OC(=O)C)C)(C)C","OHOPGMMXXXLGDP-UHFFFAOYSA-N","363975",NA,"PDBC29802","629595","Present"
-"8-Me-XAA","","","","","","","","","","","","","","","","","","","","8-Me-XAA","","CC1=C2C(=CC=C1)OC3=C(C=CC=C3C2=O)CC(=O)O.[Na+]","MZWAMHSZZMHQKW-UHFFFAOYSA-N","54600888",NA,"PDBC29803","677592","Present"
-"8-Mercaptoquinoline","","","","","","","","","","","","","","","","","","","","NSC48888","","C1=CC2=C(C(=C1)S)N=CC=C2","MHTSJSRDFXZFHQ-UHFFFAOYSA-N","96028",NA,"PDBC29804","48888","Present"
-"8-Methoxy-1,2,3,4-tetrahydrobenzo[f]quinoline-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-Methoxy-1,2,3,4-tetrahydrobenzo[f]quinoline-3-carboxylic acid","","COC1=CC2=C(C=C1)C3=C(C=C2)NC(CC3)C(=O)O","MSYFPUURZFGJFZ-UHFFFAOYSA-N","307151",NA,"PDBC29805","204936","Present"
-"8-Methoxy-1,3-diphenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","8-Methoxy-1,3-diphenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole","","COC1=CC2=C(C=C1)OCC3C2N(N=C3C4=CC=CC=C4)C5=CC=CC=C5","GEVHBTFEMMAPPF-UHFFFAOYSA-N","371908",NA,"PDBC29806","646492","Present"
-"8-Methoxy-10-oxido-5-oxophenazin-5-ium-2-carbonitrile","","","","","","","","","","","","","","","","","","","","8-Methoxy-10-oxido-5-oxophenazin-5-ium-2-carbonitrile","","COC1=CC2=C(C=C1)[N+](=O)C3=C(N2[O-])C=C(C=C3)C#N","LSKCHGRSCQXJHA-UHFFFAOYSA-N","349513",NA,"PDBC29807","409304","Present"
-"8-Methoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole","","","","","","","","","","","","","","","","","","","","8-Methoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole","","COC1=CC2=C(C=C1)N(C3=C2CCC4=CC=CC=C43)CCN5CCCCC5","GNAFEAWQHIWSDB-UHFFFAOYSA-N","390900",NA,"PDBC29808","689075","Present"
-"8-Methoxy-11h-isoindolo[2,1-a]benzimidazol-11-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-11h-isoindolo[2,1-a]benzimidazol-11-one","","COC1=CC2=C(C=C1)N=C3N2C(=O)C4=CC=CC=C43","WJYXAQMJQGIYOV-UHFFFAOYSA-N","377703",NA,"PDBC29809","659294","Present"
-"8-Methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11-tetraen-4-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11-tetraen-4-one","","CN1CCC23C14CCC5=C2C(=C(C=C5)OC)OC3C(=O)C=C4","WUEBBEBFAHKHAP-UHFFFAOYSA-N","398246",NA,"PDBC29810","707845","Present"
-"8-Methoxy-2-(1-naphthyl)-3-nitro-2H-chromene","","","","","","","","","","","","","","","","","","","","8-Methoxy-2-(naphthalen-1-yl)-3-nitro-2H-chromene","","COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=CC4=CC=CC=C43","PRGUAJTYXMEDET-UHFFFAOYSA-N","381155",NA,"PDBC29811","667473","Present"
-"8-Methoxy-2-(2-methylphenyl)-4H-3,1-benzoxazin-4-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-2-(2-methylphenyl)-4H-3,1-benzoxazin-4-one","","CC1=CC=CC=C1C2=NC3=C(C=CC=C3OC)C(=O)O2","CKUBEXWXPHBBOM-UHFFFAOYSA-N","385047",NA,"PDBC29812","675968","Present"
-"8-Methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene","","","","","","","","","","","","","","","","","","","","8-Methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene","","COC1=CC=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-]","JRKDJDBATCWDAD-UHFFFAOYSA-N","381073",NA,"PDBC29813","667223","Present"
-"8-Methoxy-2-oxo-2H-chromene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","ALBB-000306","","COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)O","SFAPWVZFUHJZIC-UHFFFAOYSA-N","234562",NA,"PDBC29814","34647","Present"
-"8-Methoxy-3,9-dinitro-5H-phenanthridin-6-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-3,9-dinitrophenanthridin-6(5h)-one","","COC1=C(C=C2C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)C2=C1)[N+](=O)[O-]","BQSWRNVGLGMTFD-UHFFFAOYSA-N","277067",NA,"PDBC29815","125552","Present"
-"8-Methoxy-3-[(2Z)-2-methoxyimino-2-(3-methoxyphenyl)ethoxy]benzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-3-[(2Z)-2-methoxyimino-2-(3-methoxyphenyl)ethoxy]benzo[c]chromen-6-one","","COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=NOC)C4=CC(=CC=C4)OC)OC2=O","MZUKRRBUTRYOQA-YYDJUVGSSA-N","24205386",NA,"PDBC29816","735338","Present"
-"8-Methoxy-3-[(2Z)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]benzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-3-[(2Z)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]benzo[c]chromen-6-one","","COC1=CC=C(C=C1)C(=NOC)COC2=CC3=C(C=C2)C4=C(C=C(C=C4)OC)C(=O)O3","UZSUEEGRNVFLST-YYDJUVGSSA-N","24205377",NA,"PDBC29817","735329","Present"
-"8-Methoxy-3-[(2Z)-2-methoxyiminopropoxy]benzo[c]chromen-6-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-3-[(2Z)-2-methoxyiminopropoxy]benzo[c]chromen-6-one","","CC(=NOC)COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC)C(=O)O2","ABWARMXCVWVBGA-ODLFYWEKSA-N","24205390",NA,"PDBC29818","735342","Present"
-"8-Methoxy-3-prop-2-enylchromen-2-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-3-prop-2-enylchromen-2-one","","COC1=CC=CC2=C1OC(=O)C(=C2)CC=C","ODWJIUIFVONHIB-UHFFFAOYSA-N","359919",NA,"PDBC29819","621631","Present"
-"8-Methoxy-4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole","","","","","","","","","","","","","","","","","","","","8-Methoxy-4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole","","COC1=CC2=C(C=C1)C3=C(CCO2)C=NN3","WTVOBXVQFNJCFK-UHFFFAOYSA-N","360366",NA,"PDBC29820","622427","Present"
-"8-Methoxy-4,5-dihydro-3H-2-benzoxepin-1-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-4,5-dihydro-3H-2-benzoxepin-1-one","","COC1=CC2=C(CCCOC2=O)C=C1","VMGNTZGTBZLDSW-UHFFFAOYSA-N","390026",NA,"PDBC29821","686941","Present"
-"8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","COC1=C2C3=C(CCCC3=C(O2)C(=O)O)C=C1","AZAWXPBQFQOALS-UHFFFAOYSA-N","361659",NA,"PDBC29822","624877","Present"
-"8-Methoxy-5,7-bis(phenylthio)quinoline","","","","","","","","","","","","","","","","","","","","8-Methoxy-5,7-bis(phenylthio)quinoline","","COC1=C(C=C(C2=C1N=CC=C2)SC3=CC=CC=C3)SC4=CC=CC=C4","QTLULWJUPJCQIM-UHFFFAOYSA-N","363947",NA,"PDBC29823","629481","Present"
-"8-Methoxy-5-(4-methoxyphenyl)naphtho[1,2-c]furan-1,3-dione","","","","","","","","","","","","","","","","","","","","8-Methoxy-5-(4-methoxyphenyl)naphtho[1,2-c]furan-1,3-dione","","COC1=CC=C(C=C1)C2=CC3=C(C4=C2C=CC(=C4)OC)C(=O)OC3=O","JIMFAGSCHPUYMP-UHFFFAOYSA-N","356123",NA,"PDBC29824","611215","Present"
-"8-Methoxy-6,11-dihydro-5H-benzo[a]carbazole","","","","","","","","","","","","","","","","","","","","YMVQDBCEOLIEPZ-UHFFFAOYSA-N","","COC1=CC2=C(C=C1)NC3=C2CCC4=CC=CC=C43","YMVQDBCEOLIEPZ-UHFFFAOYSA-N","390899",NA,"PDBC29825","689074","Present"
-"8-Methoxy-6,11-dihydro-[1]benzoxepino[4,3-b]indol-12-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-6,11-dihydro-[1]benzoxepino[4,3-b]indol-12-one","","COC1=CC2=C(C=C1)NC3=C2COC4=CC=CC=C4C3=O","ZJORBEGTOFRJEN-UHFFFAOYSA-N","384672",NA,"PDBC29826","674716","Present"
-"8-Methoxy-6,11-dimethyl-4-(2-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","8-methoxy-6,11-dimethyl-4-(2-methyl-1H-benzo[d]imidazol-...","","CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)OC)C)N4C(=NC5=CC=CC=C54)C","JUTFHVMMSOMCKE-UHFFFAOYSA-N","155815228",NA,"PDBC29827","783651","Present"
-"8-Methoxy-6,11-dimethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine","","","","","","","","","","","","","","","","","","","","8-methoxy-6,11-dimethyl-4-(5-methyl-1H-benzo[d]imidazol-...","","CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)OC)C)N4C=NC5=C4C=CC(=C5)C","IKISRXNVZCUHAM-UHFFFAOYSA-N","155805528",NA,"PDBC29828","788712","Present"
-"8-Methoxy-6-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","8-Methoxy-6-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one","","CC1=CC2=C(C(=C1)OC)OC(CC2=O)C3=CC=CC=C3","DVKYEWQUGKCKRF-UHFFFAOYSA-N","221370",NA,"PDBC29829","5884","Present"
-"8-Methoxybenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine","","","","","","","","","","","","","","","","","","","","8-Methoxybenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine","","COC1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4SC3=N2)N","VTDSJRVANHDMFK-UHFFFAOYSA-N","383196",NA,"PDBC29830","671315","Present"
-"8-Methoxycirsilineol","","","","","","","","","","","","","","","","","","","","8-Methoxycirsilineol","","COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O","UBZBPKARIHPOEC-UHFFFAOYSA-N","181092",NA,"PDBC29831","654971","Present"
-"8-Methyl-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","","","","","","","","","","","","","","","","","","","8-Methyl-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole","","CC1=CC2=C(C=C1)OCC3C2N(N=C3C4=CC=CC=C4)C5=CC=CC=C5","ZQOUCZOCNWBKAT-UHFFFAOYSA-N","371906",NA,"PDBC29832","646490","Present"
-"8-Methyl-1,6,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-9,14-dione","","","","","","","","","","","","","","","","","","","","8-Methyl-1,6,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-9,14-dione","","CN1C(=O)C2CCCC(=O)N2C3=C1N=CC=C3","BNONFRNSFDUJHB-UHFFFAOYSA-N","386268",NA,"PDBC29833","678010","Present"
-"8-Methyl-10-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione","","","","","","","","","","","","","","","","","","","","8-Methyl-10-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione","","CC1=CC2C(CC1C3C2C(=O)OC3=O)C(C)C","IHLZMAMVGXEIGC-UHFFFAOYSA-N","305563",NA,"PDBC29834","202580","Present"
-"8-Methyl-11,13-dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,6,9(16),10(14)-hexaene;hydrochloride","","","","","","","","","","","","","","","","","","","","8-Methyl-11,13-dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,6,9(16),10(14)-hexaene;hydrochloride","","CN1C=CC2=NC=CC3=CC4=C(C1=C32)OCO4.Cl","VRXQGULZSHUCNT-UHFFFAOYSA-N","395380",NA,"PDBC29835","699881","Present"
-"8-Methyl-14-phenyl-3-phenylsulfanyl-14-thioniatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaene;chloride","","","","","","","","","","","","","","","","","","","","1H-Anthra[1,9-bc]thiophenium, 6-methyl-2-phenyl-10-(phen...","","CC1=C2C=CC=C(C2=C3C[S+](C4=CC=CC1=C34)C5=CC=CC=C5)SC6=CC=CC=C6.[Cl-]","KLQVNXJBZZWIIV-UHFFFAOYSA-M","5458338",NA,"PDBC29836","156529","Present"
-"8-Methyl-18-methylsulfonyl-6,20-dioxa-2,8,18-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),10,12,15,17(22)-heptaene","","","","","","","","","","","","","","","","","","","","8-Methyl-18-methylsulfonyl-6,20-dioxa-2,8,18-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),10,12,15,17(22)-heptaene","","CN1COCC2=C1C=CC3=CC4=C(C5=C(C=C4)N(COC5)S(=O)(=O)C)N=C23","QUBYUZBTDMCJNT-UHFFFAOYSA-N","399573",NA,"PDBC29837","710447","Present"
-"8-Methyl-2,3,3a,4,6,7-hexahydro-5(1H)-azulenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","8-Methyl-2,3,3a,4,6,7-hexahydro-5(1H)-azulenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","CC1=C2CCCC2CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CC1","QVWPXKRLJDQADF-QGOAFFKASA-N","5930454",NA,"PDBC29838","624356","Present"
-"8-Methyl-2-((2-(4-morpholinyl)ethyl)thio)-7-(1-naphthylmethoxy)-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","8-Methyl-2-((2-(4-morpholinyl)ethyl)thio)-7-(1-naphthylmethoxy)-4H-chromen-4-one","","CC1=C(C=CC2=C1OC(=CC2=O)SCCN3CCOCC3)OCC4=CC=CC5=CC=CC=C54","IAKGYXVAJPFPQS-UHFFFAOYSA-N","387310",NA,"PDBC29839","681023","Present"
-"8-Methyl-2-(morpholinomethyl)pyrido[1,2-a]pyrimidin-4-one","","","","","","","","","","","","","","","","","","","","8-Methyl-2-(morpholinomethyl)pyrido[1,2-a]pyrimidin-4-one","","CC1=CC2=NC(=CC(=O)N2C=C1)CN3CCOCC3","CKHXOAVCIDEDTI-UHFFFAOYSA-N","390353",NA,"PDBC29840","687689","Present"
-"8-Methyl-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carbonitrile","","","","","","","","","","","","","","","","","","","","N-Methyl-6-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one///N-Methyl-6-(endo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one","","CN1C2CC(C1C=CC2=O)C#N","QDBIHSMOIHGMLN-UHFFFAOYSA-N","376753",NA,"PDBC29841","657809///657812","Present"
-"8-Methyl-2-phenyl-5-(1-trimethylsilyloxyethyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione","","","","","","","","","","","","","","","","","","","","5-Methyl-2-phenyl-8-(1-((trimethylsilyl)oxy)ethyl)-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione","","CC1C=CC(N2N1C(=O)N(C2=O)C3=CC=CC=C3)C(C)O[Si](C)(C)C","AJRYFWHAPFUXFO-UHFFFAOYSA-N","362054",NA,"PDBC29842","625566","Present"
-"8-Methyl-3,7-diphenylpyrazolo[5,1-c][1,2,4]triazine","","","","","","","","","","","","","","","","","","","","8-Methyl-3,7-diphenylpyrazolo[5,1-c][1,2,4]triazine","","CC1=C2N=NC(=CN2N=C1C3=CC=CC=C3)C4=CC=CC=C4","ZMBKOKDWGCGKPJ-UHFFFAOYSA-N","394452",NA,"PDBC29843","697926","Present"
-"8-Methyl-3-(8-methyl-4-oxo-chromen-3-yl)selanyl-chromen-4-one","","","","","","","","","","","","","","","","","","","","8-Methyl-3-(8-methyl-4-oxo-chromen-3-yl)selanyl-chromen-4-one","","CC1=C2C(=CC=C1)C(=O)C(=CO2)[Se]C3=COC4=C(C=CC=C4C3=O)C","CLVZZTPNMOXYCF-UHFFFAOYSA-N","374558",NA,"PDBC29844","652533","Present"
-"8-Methyl-3-(phenylsulfonyl)-6,2':4,5]thiopyrano[3,2-b]pyridin-2(1H)-one","","","","","","","","","","","","","","","","","","","","8-Methyl-3-(phenylsulfonyl)-6,7-dihydropyrrolo[3',2':4,5...","","CC1=CC2=C(N1)CSC3=C2NC(=O)C(=C3)S(=O)(=O)C4=CC=CC=C4","VGNBTSFJHIYMJS-UHFFFAOYSA-N","54612954",NA,"PDBC29845","749874","Present"
-"8-Methyl-3-oxa-2lambda6-thia-6-mercurabicyclo[5.3.1]undeca-1(11),7,9-triene 2,2-dioxide","","","","","","","","","","","","","","","","","","","","8-Methyl-3-oxa-2lambda6-thia-6-mercurabicyclo[5.3.1]undeca-1(11),7,9-triene 2,2-dioxide","","CC1=C2C=C(C=C1)S(=O)(=O)OCC[Hg]2","CXIZNOYVTMMNMP-UHFFFAOYSA-N","426927",NA,"PDBC29846","203308","Present"
-"8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile","","","","","","","","","","","","","","","","","","","","N-Methyl-7-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one///N-Methyl-7-(endo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one","","CN1C2CC(C1C(=O)C=C2)C#N","KBTKKJKGYHXAOU-UHFFFAOYSA-N","376754",NA,"PDBC29847","657810///657811","Present"
-"8-Methyl-6-oxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrimidine-9-carbonitrile","","","","","","","","","","","","","","","","","","","","8-Methyl-6-oxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrimidine-9-carbonitrile","","CC1CC(=O)N2CCCNC2=C1C#N","DUGFFDJDTHORCC-UHFFFAOYSA-N","383016",NA,"PDBC29848","671000","Present"
-"8-Methyl-7-(3-((8-methyl-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one","","","","","","","","","","","","","","","","","","","","8-Methyl-7-(3-((8-methyl-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one","","CC1=C(C=CC2=C1OC(=CC2=O)C3=CC=CC=C3)OCCCOC4=C(C5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6)C","YODUZBHIBYLGCJ-UHFFFAOYSA-N","375235",NA,"PDBC29849","654624","Present"
-"8-Methyl-7-oxo-1,2,3,4,5,7,8,9-octahydropyrido[1,2-a][1,3]diazepine-10-carbonitrile","","","","","","","","","","","","","","","","","","","","8-Methyl-7-oxo-1,2,3,4,5,7,8,9-octahydropyrido[1,2-a][1,3]diazepine-10-carbonitrile","","CC1CC(=C2NCCCCN2C1=O)C#N","NVPPHPBQHIVXJN-UHFFFAOYSA-N","383017",NA,"PDBC29850","671001","Present"
-"8-Methyl-7-phenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one","","","","","","","","","","","","","","","","","","","","8-Methyl-7-phenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one","","CN1C(=O)C23CCCC2CC1(S3)C4=CC=CC=C4","YTAYZILMDPNPLZ-UHFFFAOYSA-N","397454",NA,"PDBC29851","705312","Present"
-"8-Methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4,15-triol","","","","","","","","","","","","","","","","","","","","8-Methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4,15-triol","","CN1C2CCCC3=C2C(=CC(=C3)O)C4=C1C=CC(=C4O)O","NBJKYQQKAMIUSO-UHFFFAOYSA-N","398346",NA,"PDBC29852","708066","Present"
-"8-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol","","","","","","","","","","","","","","","","","","","","8-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol","","CC1=C2C(=CC=C1)C3=C(N2)NC(=O)NC3=O","JZGUHLPUEPKBCQ-UHFFFAOYSA-N","387241",NA,"PDBC29853","680816","Present"
-"8-Methyl-octadecanoic acid","","","","","","","","","","","","","","","","","","","","LMFA01020218","","CCCCCCCCCCC(C)CCCCCCC(=O)O","DSIUZBLIPJBAMZ-UHFFFAOYSA-N","361945",NA,"PDBC29854","625430","Present"
-"8-Nitro-1-phenyl-9H-pyrido[3,4-b]indole","","","","","","","","","","","","","","","","","","","","8-Nitro-1-phenyl-9H-pyrido[3,4-b]indole","","C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=CC=C4[N+](=O)[O-]","MEILELXKOKOYFZ-UHFFFAOYSA-N","359451",NA,"PDBC29855","620316","Present"
-"8-Nitro-10-oxo-5H-benzo[b][1,6]naphthyridine-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-Nitro-10-oxo-5H-benzo[b][1,6]naphthyridine-6-carboxylic acid","","C1=CN=CC2=C1NC3=C(C2=O)C=C(C=C3C(=O)O)[N+](=O)[O-]","YUBVMQQPGYAMEU-UHFFFAOYSA-N","383235",NA,"PDBC29856","671350","Present"
-"8-Nitro-12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine hydrochloride","","","","","","","","","","","","","","","","","","","","8-Nitro-12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine hydrochloride","","C1=CC=C2C(=C1)C(=N)N3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=N2.Cl","SRNNYZSXJNPABK-UHFFFAOYSA-N","382432",NA,"PDBC29857","669998","Present"
-"8-Nitro-5-[(triphenylphosphoranylidene)amino]tetrazolo[1,5-a]pyridine","","","","","","","","","","","","","","","","","","","","8-Nitro-5-[(triphenylphosphoranylidene)amino]tetrazolo[1,5-a]pyridine","","C1=CC=C(C=C1)P(=NC2=CC=C(C3=NN=NN23)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5","KQOYKXKVEYTOCS-UHFFFAOYSA-N","370699",NA,"PDBC29858","644196","Present"
-"8-O-Benzyl 11-O-methyl (11R)-11-[1-(benzenesulfonyl)indol-2-yl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-8,11-dicarboxylate","","","","","","","","","","","","","","","","","","","","8-O-Benzyl 11-O-methyl (11R)-11-[1-(benzenesulfonyl)indol-2-yl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-8,11-dicarboxylate","","CC1(OC2C3CC(C(C2O1)N(C3)C(=O)OCC4=CC=CC=C4)(C5=CC6=CC=CC=C6N5S(=O)(=O)C7=CC=CC=C7)C(=O)OC)C","GYXGOEFTIQHOKG-KZIMYOLGSA-N","397002",NA,"PDBC29859","704239","Present"
-"8-O-Ethyl 7-O-methyl (2R,7S,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","8-O-Ethyl 7-O-methyl (2R,7S,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7,8-dicarboxylate","","CCOC(=O)C1C=C2C(C3C(O2)OC4(O3)CCCCC4)C5C1(C(=O)C=CC5=O)C(=O)OC","CDOZFUHODPVZJX-VEBIFSKJSA-N","367565",NA,"PDBC29860","637398","Present"
-"8-O-Ethyl 7-O-methyl (7S,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","8-O-Ethyl 7-O-methyl (7S,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7,8-dicarboxylate","","CCOC(=O)C1C=C2C(C3C(O2)OC4(O3)CCCCC4)C5C1(C(=O)CCC5=O)C(=O)OC","YXZXPVCRLFOQHP-ZPEHMJEESA-N","367568",NA,"PDBC29861","637401","Present"
-"8-O-Ethyl 7-O-methyl (7S,8S,12R,16R)-3,6-dihydroxy-8-methylspiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,3,5,9-tetraene-14,1'-cyclohexane]-7,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","8-O-Ethyl 7-O-methyl (7S,8S,12R,16R)-3,6-dihydroxy-8-methylspiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,3,5,9-tetraene-14,1'-cyclohexane]-7,8-dicarboxylate","","CCOC(=O)C1(C=C2C(=C3C1(C(=CC=C3O)O)C(=O)OC)C4C(O2)OC5(O4)CCCCC5)C","RNYPKDPPJJRXON-JDCWHPJTSA-N","6711689",NA,"PDBC29862","637402","Present"
-"8-O-Ethyl-14-benzoylaconine","","","","","","","","","","","","","","","","","","","","8-O-Ethyl-14-benzoylaconine","","CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OCC7=CC=CC=C7)O)OC)OCC)OC)OC)O)COC","HONBADYZGUTCEL-YIFQFTKESA-N","6712070",NA,"PDBC29863","654826","Present"
-"8-O-Ethylaconine","","","","","","","","","","","","","","","","","","","","8-O-Ethylaconine","","CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6O)O)OC)OCC)OC)OC)O)COC","SHPOWCFBTVMHGI-PTBRFJLSSA-N","6712071",NA,"PDBC29864","654827","Present"
-"8-O-demethylmaritidine","","","","","","","","","","","","","","","","","","","","8-O-demethylmaritidine","","COC1=C(C=C2CN3CCC4(C3CC(C=C4)O)C2=C1)O","TZTBAJFJEZRQCV-VHWKEVPUSA-N","366997",NA,"PDBC29865","636229","Present"
-"8-Oxa-1-aza-9$l^{2}-iridabicyclo[4.3.0]nonan-7-one; trimethylphosphane","","","","","","","","","","","","","","","","","","","","8-Oxa-1-aza-9$l^{2}-iridabicyclo[4.3.0]nonan-7-one; trimethylphosphane","","","","",NA,"PDBC29866","658475","Present"
-"8-Oxa-1-azonia-9$l^{2}-iridabicyclo[4.3.0]nona-1(6),2,4-trien-7-one; trimethylphosphane","","","","","","","","","","","","","","","","","","","","8-Oxa-1-azonia-9$l^{2}-iridabicyclo[4.3.0]nona-1(6),2,4-trien-7-one; trimethylphosphane","","","","",NA,"PDBC29867","658476","Present"
-"8-Oxapentacyclo[11.7.1.02,7.09,21.015,20]henicos-1-ene-5,14-dione","","","","","","","","","","","","","","","","","","","","8-Oxapentacyclo[11.7.1.02,7.09,21.015,20]henicos-1-ene-5,14-dione","","C1CCC2C(C1)C(=O)C3CCCC4C3C2=C5CCC(=O)CC5O4","VETBAJOOAOCRGE-UHFFFAOYSA-N","276142",NA,"PDBC29868","123399","Present"
-"8-Oxo-10-oxa-3,4,5-triaza-tricyclo[5.2.1.02,6]dec-4-ene-3-carboxylic acid isobutyl ester","","","","","","","","","","","","","","","","","","","","2-Methylpropyl 5-oxo-3a,4,5,6,7,7a-hexahydro-1h-4,7-epoxybenzotriazole-1-carboxylate","","CC(C)COC(=O)N1C2C3CC(=O)C(C2N=N1)O3","FUQLHILUPYDCDM-UHFFFAOYSA-N","368689",NA,"PDBC29869","639821","Present"
-"8-Oxo-8H-1,7b,14-triazadibenzo[e,k]acephenanthrylene-2-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 12-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2,4,6,8,10,14,16,18,20,22-undecaene-22-carboxylate","","COC(=O)C1=NC2=C3C(=C1)C4=CC=CC=C4N3C(=O)C5=CC6=CC=CC=C6N=C52","KOHRTFVWYRXJDL-UHFFFAOYSA-N","23584225",NA,"PDBC29870","742034","Present"
-"8-Oxo-octadecanoic acid","","","","","","","","","","","","","","","","","","","","8-oxostearic acid","","CCCCCCCCCCC(=O)CCCCCCC(=O)O","OTXWABSAIDKSMU-UHFFFAOYSA-N","361946",NA,"PDBC29871","625431","Present"
-"8-Phenyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine","","","","","","","","","","","","","","","","","","","","8-Phenyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine","","C1CC2=C3C(=NC(=NC3=NC=C2CC1C4=CC=CC=C4)N)N","RWUPGPLQDZWOTO-UHFFFAOYSA-N","401168",NA,"PDBC29872","714364","Present"
-"8-Phenyl-8,9-dihydro-4H,7H-furo[2',3',4':4,5]naphtho[2,1-e][1,3]oxazin-4-one","","","","","","","","","","","","","","","","","","","","8-Phenyl-8,9-dihydro-4H,7H-furo[2',3',4':4,5]naphtho[2,1-e][1,3]oxazin-4-one","","C1C2=CC3=C4C(=C2OCN1C5=CC=CC=C5)C=CC=C4C(=O)O3","VLPRAVUZDAXNGE-UHFFFAOYSA-N","373968",NA,"PDBC29873","651000","Present"
-"8-Propyl-2,6,9a-triaza-9aH-benz[cd]azulene-7,9(6H,8H)-dione","","","","","","","","","","","","","","","","","","","","8-Propyl-2,6,9a-triaza-9aH-benz[cd]azulene-7,9(6H,8H)-dione","","CCCC1C(=O)NC2=CC=CC3=C2N(C1=O)C=N3","LRFRFKHDOCURQI-UHFFFAOYSA-N","393556",NA,"PDBC29874","695626","Present"
-"8-Quinolinecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","8-Quinolinecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone","","C1=CC2=C(C(=C1)C=NNC3=C(C=CC(=C3)Cl)[N+](=O)[O-])N=CC=C2","OWZXXNXBZUKAIS-VXLYETTFSA-N","9571416",NA,"PDBC29875","658006","Present"
-"8-Quinolinecarbaldehyde methyl(2,4,6-tris(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","N-Methyl-2,4,6-trinitro-N-[(E)-8-quinolylmethyleneamino]aniline","","CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=CC3=C2N=CC=C3","DOZORKGTBWIABA-VXLYETTFSA-N","9555797",NA,"PDBC29876","629872","Present"
-"8-Quinolinecarbaldehyde methyl(phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","N-Methyl-N-[(E)-8-quinolylmethyleneamino]aniline","","CN(C1=CC=CC=C1)N=CC2=CC=CC3=C2N=CC=C3","CZRDQXHHOBMRTG-CPNJWEJPSA-N","9555807",NA,"PDBC29877","630683","Present"
-"8-Quinolinecarboxaldehyde, 2-(2,4-dinitrophenyl)-2-methyl-hydrazone","","","","","","","","","","","","","","","","","","","","8-Quinolinecarboxaldehyde, 2-(2,4-dinitrophenyl)-2-methy...","","CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=CC3=C2N=CC=C3","MFRQPZWPZFPOGU-YBFXNURJSA-N","9555808",NA,"PDBC29878","630684","Present"
-"8-Quinolinecarboxamide,1'-biphenyl]-4-yl)-, dihydrochloride","","","","","","","","","","","","","","","","","","","","8-Quinolinecarboxamide, N-[2-(dimethylamino)ethyl]-2- 2-...","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4.Cl","HAXRBQRENPHUBL-UHFFFAOYSA-N","358091",NA,"PDBC29879","617939","Present"
-"8-Quinolinol, 5-benzyl-","","","","","","","","","","","","","","","","","","","","WLN: T66 BNJ G1R& JQ","","C1=CC=C(C=C1)CC2=C3C=CC=NC3=C(C=C2)O","XMMNJZRNOIZBDA-UHFFFAOYSA-N","81403",NA,"PDBC29880","32190","Present"
-"8-Quinolinol, vanadium(V) complex","","","","","","","","","","","","","","","","","","","","8-quinolinol, vanadium(v) complex","","C1CC2CCC[N-]C2C(C1)O.C1CC2CCC[N-]C2C(C1)O.O[V]=O","YJINWQPTXYGAHQ-UHFFFAOYSA-M","54606261",NA,"PDBC29881","88941","Present"
-"8-Quinolinone,6,7,8-tetrahydro-7-(phenylmethylene)-","","","","","","","","","","","","","","","","","","","","8-Quinolinone, 2-chloro-5,6,7,8-tetrahydro-7-(phenylmeth...","","C1CC(=CC2=CC=CC=C2)C(=O)C3=C1C=CC(=N3)Cl","GUNRWGBWPKWBSG-JLHYYAGUSA-N","5470385",NA,"PDBC29882","700549","Present"
-"8-Quinolinyl 2,6-dichlorophenylcarbamate","","","","","","","","","","","","","","","","","","","","8-Quinolinyl 2,6-dichlorophenylcarbamate","","C1=CC2=C(C(=C1)OC(=O)NC3=C(C=CC=C3Cl)Cl)N=CC=C2","NRZQZRPKUKHRFS-UHFFFAOYSA-N","342123",NA,"PDBC29883","377396","Present"
-"8-Quinolyl 6-chloro-3-[N-(4-fluorophenyl)-5-bromo-2-thienylsulfonamido]-1,4,2-benzodithiazine-7-carboxylate","","","","","","","","","","","","","","","","","","","","8-Quinolyl 6-chloro-3-[N-(4-fluorophenyl)-5-bromo-2-thie...","","C1=CC2=C(C(=C1)OC(=O)C3=CC4=C(C=C3Cl)SC(=NS4(=O)=O)N(C5=CC=C(C=C5)F)S(=O)(=O)C6=CC=C(S6)Br)N=CC=C2","REYYNJDOUVLINY-UHFFFAOYSA-N","24206076",NA,"PDBC29884","740013","Present"
-"8-Theophyllinepropionic acid","","","","","","","","","","","","","","","","","","","","8-Theophyllinepropionic acid","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC(=O)O","RJXYOFPNOBNMOX-UHFFFAOYSA-N","225218",NA,"PDBC29885","36534","Present"
-"8-Theophyllinevaleric acid","","","","","","","","","","","","","","","","","","","","8-Theophyllinevaleric acid","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCC(=O)O","INKHLBGUHJMJGC-UHFFFAOYSA-N","225054",NA,"PDBC29886","14119","Present"
-"8-Thiabicyclo[3.2.1]octan-3-one 8-oxide","","","","","","","","","","","","","","","","","","","","8-Thiabicyclo[3.2.1]octan-3-one 8-oxide","","C1CC2CC(=O)CC1S2=O","TUZQVRKEROXVIJ-UHFFFAOYSA-N","382571",NA,"PDBC29887","670182","Present"
-"8-Trichloromethyldihydroberberine","","","","","","","","","","","","","","","","","","","","8-trichloromethyldihydroberberine","","COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2C(Cl)(Cl)Cl)OCO5)OC","CAGHPRDTHLKFCW-UHFFFAOYSA-N","320713",NA,"PDBC29888","269192","Present"
-"8-[(2-Pyridylmethyl)thio]-2-thiotheophylline","","","","","","","","","","","","","","","","","","","","8-[(2-Pyridylmethyl)thio]-2-thiotheophylline","","CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCC3=CC=CC=N3","JEQRSEYZISVMFU-UHFFFAOYSA-N","97098",NA,"PDBC29889","99663","Present"
-"8-[(2E)-2-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[(2E)-2-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione","","CN1C2=C(N=C1NN=C3N(C(=O)CS3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C","HJLKRSCOGVIVDY-HEHNFIMWSA-N","9572581",NA,"PDBC29890","720619","Present"
-"8-[(2E)-2-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[(2E)-2-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NN=C3N(C(=O)CS3)CC4=CC=CC=C4","GUBJPQPIGAMWQI-LTGZKZEYSA-N","9572579",NA,"PDBC29891","720617","Present"
-"8-[(2E)-2-(3-Butyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[(2E)-2-(3-Butyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione","","CCCCN1C(=O)CSC1=NNC2=NC3=C(N2)C(=O)N(C(=O)N3C)C","PVSHNUROCTURGI-QGOAFFKASA-N","9572578",NA,"PDBC29892","720616","Present"
-"8-[(4-Hydroxycyclohexyl)amino]-3-propyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)-2H-isoquinolin-1-one","","","","","","","","","","","","","","","","","","","","8-((4-hydroxycyclohexyl)amino)-3-propyl-6-(3,6,6-trimeth...","","CCCC1=CC2=CC(=CC(=C2C(=O)N1)NC3CCC(CC3)O)N4C5=C(C(=N4)C)C(=O)CC(C5)(C)C","QRUAXSIQUFUVJC-UHFFFAOYSA-N","153370949",NA,"PDBC29893","790966","Present"
-"8-[(4-Tert-butylphenoxy)methyl]-1,7-dihydro-1H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[(4-tert-butylphenoxy)methyl]-1,3-dimethyl-3,7-dihydro...","","CC(C)(C)C1=CC=C(C=C1)OCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C","FXCSOKVUMFCIKV-UHFFFAOYSA-N","235292",NA,"PDBC29894","36525","Present"
-"8-[(5,5'-Ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline","","","","","","","","","","","","","","","","","","","","8-[(5,5'-Ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline","","CC(C)(C)C1=CC2=C(C=C1)OP3(O2)(OC4=C(O3)C=C(C=C4)C(C)(C)C)OC5=CC=CC6=C5N=CC=C6","HISIPEQWHKYQMS-UHFFFAOYSA-N","360395",NA,"PDBC29895","622460","Present"
-"8-[(5-Methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methoxy]quinoline hydroiodide","","","","","","","","","","","","","","","","","","","","5-Methyl-1-[(quinolin-8-yloxy)methyl]octahydro-2h-quinolizinium iodide","","C[N+]12CCCCC1C(CCC2)COC3=CC=CC4=C3N=CC=C4.[I-]","QCYYAIRVSCBNKJ-UHFFFAOYSA-M","390685",NA,"PDBC29896","688319","Present"
-"8-[(E)-2-Diethylaminoethyliminomethyl]-2-[8-[(E)-2-diethylaminoethyliminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-5-isopropyl-3-methyl-naphthalene-1,6,7-triol","","","","","","","","","","","","","","","","","","","","8-[2-(Diethylamino)ethyliminomethyl]-2-[8-[2-(diethylamino)ethyliminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol","","CCN(CC)CCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCN(CC)CC)O)O)C(C)C)O)O)C(C)C)O)O","WQWALOPHLHWWBW-UHFFFAOYSA-N","237052",NA,"PDBC29897","40264","Present"
-"8-[(E)-Dimethylaminoazo]-7-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[(E)-Dimethylaminodiazenyl]-7-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-dimethylpurine-2,6-dione","","CC(CCC1=CC=CC=C1)NCC(N2C3=C(N=C2N=NN(C)C)N(C(=O)N(C3=O)C)C)O","FSQUGRGDPXIYIJ-OCOZRVBESA-N","5469143",NA,"PDBC29898","683618","Present"
-"8-[(E)-[4-(2-Hydroxyethyl)piperazin-1-yl]diazenyl]-1,3-dimethyl-7H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[(E)-[4-(2-Hydroxyethyl)piperazin-1-yl]diazenyl]-1,3-dimethyl-7H-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N=NN3CCN(CC3)CCO","LPJOKQWPZXJQQU-WUKNDPDISA-N","135408717",NA,"PDBC29899","62598","Present"
-"8-[-(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1, disodium salt","","","","","","","","","","","","","","","","","","","","8-[-(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,6-d...","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C(=CC(=C3)S(=O)(=O)O)C=CC=C4S(=O)(=O)O)O.[Na+]","NYVOIIHUJCIQND-UHFFFAOYSA-N","135534342",NA,"PDBC29900","75957","Present"
-"8-[1-(1-Benzothiophen-2-yl)cyclohexyl]-1,4-dioxa-8-azaspiro[4.5]decane;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","8-[1-(1-Benzothiophen-2-yl)cyclohexyl]-1,4-dioxa-8-azaspiro[4.5]decane;(E)-but-2-enedioic acid","","C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCC5(CC4)OCCO5.C(=CC(=O)O)C(=O)O","OVANOCHWIABTOS-WLHGVMLRSA-N","5471076",NA,"PDBC29901","708120","Present"
-"8-[2-(Dimethylamino)ethoxy]-5-nitroquinoline","","","","","","","","","","","","","","","","","","","","8-[2-(Dimethylamino)ethoxy]-5-nitroquinoline","","CN(C)CCOC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2.Cl","MWLBVVMAWMDWFO-UHFFFAOYSA-N","370832",NA,"PDBC29902","644498","Present"
-"8-[2-(Dimethylamino)ethyl-methylcarbamoyl]naphthalene-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","8-[2-(Dimethylamino)ethyl-methylcarbamoyl]naphthalene-1-carboxylic acid","","CN(C)CCN(C)C(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)O","AOXYEPUQIIYPMW-UHFFFAOYSA-N","357368",NA,"PDBC29903","615801","Present"
-"8-[2-(Methylamino)-3-pyridylamino]-10-methyldipyrido[1,2-a:2',3'-d]imidazole-6(10H)-one","","","","","","","","","","","","","","","","","","","","8-Methyl-11-[[2-(methylamino)pyridin-3-yl]amino]-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one","","CNC1=C(C=CC=N1)NC2=CC(=O)N3C4=C(N=CC=C4)N(C3=C2)C","KDZTZNGSSHJYPS-UHFFFAOYSA-N","396076",NA,"PDBC29904","701586","Present"
-"8-[3-(m-Aminobenzamido)-4-methylbenzamido]-1,5-naphthalenetrisulfonic acid, trisodium salt, dihydrate","","","","","","","","","","","","","","","","","","","","8-[3-(m-Aminobenzamido)-4-methylbenzamido]-1,3,5- naphth...","","CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)N.[Na+]","IROYMJWWVOTZRG-UHFFFAOYSA-N","54608723",NA,"PDBC29905","633234","Present"
-"8-[3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","8-[3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(Z)-but-2-enedioic acid","","C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCN4CCN(CC4)CCOC(C5=CC=CC=C5)C6=CC=CC=C6.C(=CC(=O)O)C(=O)O","PPNRAORUJMLRNR-BTJKTKAUSA-N","5471949",NA,"PDBC29906","715563","Present"
-"8-[3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","","","","","","","","","","","","","","","","","","","","8-[3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one","","C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCN4CCN(CC4)CCOC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F","QZZMTYFFXGERDK-UHFFFAOYSA-N","401832",NA,"PDBC29907","715546","Present"
-"8-[4-(Dimethylamino)phenyl]-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol","","","","","","","","","","","","","","","","","","","","8-[4-(Dimethylamino)phenyl]-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol","","CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)N(C)C)O","PIASYSCTSBHKAT-UHFFFAOYSA-N","343521",NA,"PDBC29908","382988","Present"
-"8-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphtho[1,2-g]pteridine-9,11-dione","","","","","","","","","","","","","","","","","","","","8-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphtho[1,2-g]pteridine-9,11-dione","","C1C(C(OC1N2C3=NC4=C(C5=CC=CC=C5C=C4)N=C3C(=O)NC2=O)CO)O","JHXMHXNXWGYMMR-UHFFFAOYSA-N","387291",NA,"PDBC29909","680985","Present"
-"8-[4-[Bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one","","","","","","","","","","","","","","","","","","","","8-[4-[Bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one","","C1=CC(=CC=C1C2=NC3=C(N2)C(=O)NC=N3)N(CCCl)CCCl","QLMSGIGJKNBEGK-UHFFFAOYSA-N","135454065",NA,"PDBC29910","87086","Present"
-"8-[5-(Propan-2-ylamino)pentylamino]quinolin-6-ol;hydrochloride","","","","","","","","","","","","","","","","","","","","8-[5-(Propan-2-ylamino)pentylamino]quinolin-6-ol;hydrochloride","","CC(C)NCCCCCNC1=C2C(=CC(=C1)O)C=CC=N2.Cl","QUYHGXMMIPYJLN-UHFFFAOYSA-N","54605112",NA,"PDBC29911","14741","Present"
-"8-[5-Amino-3-(4-chlorophenyl)pyrazol-1-yl]-1,3,7-trimethylpurine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[5-Amino-3-(4-chlorophenyl)-1h-pyrazol-1-yl]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione","","CN1C2=C(N=C1N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N)N(C(=O)N(C2=O)C)C","OQXGYTHCMPEUJK-UHFFFAOYSA-N","404397",NA,"PDBC29912","720614","Present"
-"8-[5-Amino-3-(4-methylphenyl)pyrazol-1-yl]-1,3,7-trimethylpurine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[5-Amino-3-(4-methylphenyl)-1h-pyrazol-1-yl]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione","","CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC4=C(N3C)C(=O)N(C(=O)N4C)C","DCAPDDASYGEEEB-UHFFFAOYSA-N","404398",NA,"PDBC29913","720615","Present"
-"8-[5-Amino-3-(4-methylphenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[5-Amino-3-(4-methylphenyl)-1h-pyrazol-1-yl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione","","CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C","NIRFZBFWBQKPAE-UHFFFAOYSA-N","404395",NA,"PDBC29914","720612","Present"
-"8-[6-(1,3-Dimethyl-2,6-dioxo-7H-purin-8-yl)-4-oxo-2-piperidyl]-1,3-dimethyl-7H-purine-2,6-dione","","","","","","","","","","","","","","","","","","","","8-[6-(1,3-Dimethyl-2,6-dioxo-7H-purin-8-yl)-4-oxo-2-piperidyl]-1,3-dimethyl-7H-purine-2,6-dione","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CC(=O)CC(N3)C4=NC5=C(N4)C(=O)N(C(=O)N5C)C","YPYFELFDJGPCTJ-UHFFFAOYSA-N","267105",NA,"PDBC29915","106221","Present"
-"8-[Bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride","","","","","","","","","","","","","","","","","","","","8-[Bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride","","CC1=CC(=O)OC2=C1C=CC(=C2CN(CCCl)CCCl)O.Cl","UNHNQQCNQQBVAN-UHFFFAOYSA-N","24188551",NA,"PDBC29916","77039","Present"
-"8-[Dimethoxyphosphorylmethyl(methoxy)phosphoryl]oxy-2,6-dimethyloct-2-ene","","","","","","","","","","","","","","","","","","","","8-(Dimethoxyphosphorylmethyl-methoxy-phosphoryl)oxy-2,6-dimethyl-oct-2-ene","","CC(CCC=C(C)C)CCOP(=O)(CP(=O)(OC)OC)OC","WHBJOLUMANAQER-UHFFFAOYSA-N","395718",NA,"PDBC29917","700516","Present"
-"8-alpha-Hydroxyverrucarin A","","","","","","","","","","","","","","","","","","","","8-hydroxy verrucarin a","","CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CC(C(=CC5O3)C)O)COC(=O)C1O)C)CO4","KLQXPYFNSWYRBB-YDFGWWAZSA-N","5477083",NA,"PDBC29918","291312","Present"
-"8-aminoadenosine","","","","","","","","","","","","","","","","","","","","8-aminoadenosine","","C1=NC(=C2C(=N1)N(C(=N2)N)C3C(C(C(O3)CO)O)O)N","DVGWFQILDUEEGX-UHFFFAOYSA-N","259812",NA,"PDBC29919","90394","Present"
-"8-azadenosine","","","","","","","","","","","","","","","","","","","","8-azadenosine","","C1=NC(=C2C(=N1)N(N=N2)C3C(C(C(O3)CO)O)O)N","OAUKGFJQZRGECT-UHFFFAOYSA-N","251928",NA,"PDBC29920","72961","Present"
-"8-{3-[4-(3-Carbazol-9-yl-propyl)-piperazin-1-yl]-propoxy}-7-methoxy-1,3,11a-tetrahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","8-{3-[4-(3-Carbazol-9-yl-propyl)-piperazin-1-yl]-propoxy...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4CCN(CC4)CCCN5C6=CC=CC=C6C7=CC=CC=C75","PWWXJRATTSECRZ-SANMLTNESA-N","45028945",NA,"PDBC29921","744992","Present"
-"8-{5-[6-(4-Fluorophenyl)-2-methyl-4-pyrimidinyloxy]pentyloxy}-7-methoxy-(11aS)-2,511a-tetrahydro-1H-benzo[e]pyrrolo[1, 2-a][1,4]diazepin-5-one","","","","","","","","","","","","","","","","","","","","8-{5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyloxy]penty...","","CC1=NC(=CC(=N1)OCCCCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C5=CC=C(C=C5)F","PCYKVRYRRIIVIP-QFIPXVFZSA-N","12109259",NA,"PDBC29922","727728","Present"
-"8001AE","","","","","","","","","","","","","","","","","","","","8001AE","","CN1C2=C(C=C(C=C2)Br)OC1=O","OASANCDKMGODJO-UHFFFAOYSA-N","379590",NA,"PDBC29923","664281","Present"
-"8443AC","","","","","","","","","","","","","","","","","","","","8443AC","","C1C(C2=C(C1=O)SC=C2)N.Cl","VLJFWONKQWZPGU-UHFFFAOYSA-N","390202",NA,"PDBC29924","687361","Present"
-"8455AB","","","","","","","","","","","","","","","","","","","","8455AB","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O2","QRDLKEDMXPGLTP-UVTDQMKNSA-N","1549990",NA,"PDBC29925","24189","Present"
-"89UZ7AS4CZ","","","","","","","","","","","","","","","","","","","","89UZ7AS4CZ","","COC1=CC=CC2=C1C(=NC3=C2C(=O)C4=C3C(=CC=C4)OC)N","XXKSUYCJOPFMDG-UHFFFAOYSA-N","336390",NA,"PDBC29926","350364","Present"
-"8AF8E4G1FJ","","","","","","","","","","","","","","","","","","","","8AF8E4G1FJ","","COC1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)OC","WKLOSXKZASUWLB-UHFFFAOYSA-N","100426",NA,"PDBC29927","297813","Present"
-"8B-Hydroxy-9B,10B-epoxyverrucarin A","","","","","","","","","","","","","","","","","","","","8b-hydroxy-9b,10b-epoxyverrucarin a","","CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CC(C6(C(C5O3)O6)C)O)COC(=O)C1O)C)CO4","JATSIAAIWIOXMZ-YDFGWWAZSA-N","5477536",NA,"PDBC29928","328166","Present"
-"8D-021","","","","","","","","","","","","","","","","","","","","8D-021","","C1=CC=C(C(=C1)NC2=NC=C(S2)C(=O)C3=CC=C(C=C3)Cl)Cl","IRQOIZZTORKYAG-UHFFFAOYSA-N","374056",NA,"PDBC29929","651295","Present"
-"8F-900","","","","","","","","","","","","","","","","","","","","8F-900","","C1=CC(=CC=C1NC2=NC(=C(S2)N)C#N)[N+](=O)[O-]","WKZFHIVAXRJZRH-UHFFFAOYSA-N","3769282",NA,"PDBC29930","638200","Present"
-"8H-(1,3)Oxazolo(3,4-a)perimidin-10-one","","","","","","","","","","","","","","","","","","","","8H-[1,3]Oxazolo[3,4-a]perimidin-10-one","","C1C2=NC3=CC=CC4=C3C(=CC=C4)N2C(=O)O1","IWLBTKROGNSERQ-UHFFFAOYSA-N","337010",NA,"PDBC29931","353492","Present"
-"8H-(1,3,4)Thiadiazolo(3,2-a)thieno(2,3-d)pyrimidin-8-one, 2,6-diphenyl-","","","","","","","","","","","","","","","","","","","","8H-[1,3,4]Thiazolo[3,2a]thieno[2,3d]pyrimidin-8-one, 2,6...","","C1=CC=C(C=C1)C2=CC3=C(S2)N=C4N(C3=O)N=C(S4)C5=CC=CC=C5","ZJENAUVDXNVXPT-UHFFFAOYSA-N","360208",NA,"PDBC29932","622186","Present"
-"8H-3,6-Ethanoazonino[5,4-b]indole-7,8-dicarboxylic acid, 1,2,4,5,6,7-hexahydro-4-oxo-5-(phenylsulfonyl)-, dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl 16-(benzenesulfonyl)-15-oxo-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2,4-dicarboxylate","","COC(=O)C1C2CCN(CCC3=C1N(C4=CC=CC=C34)C(=O)OC)C(=O)C2S(=O)(=O)C5=CC=CC=C5","XZRCRLOBUFMTEI-UHFFFAOYSA-N","386814",NA,"PDBC29933","679522","Present"
-"8H-5,3-Dioxolo[4,5-h][2]benzoxepin, 9,11-epoxymethano-9-(3,4,5-trimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","8H-5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin, 9,11-epo...","","COC1=CC(=CC(=C1OC)OC)C23C4COC(C4CO2)C5=CC6=C(C=C35)OCO6","XDKZFFURXVOVOH-QPHVIBCCSA-N","6712626",NA,"PDBC29934","701561","Present"
-"8H-Isoquino[2,1-b][2,7]naphthyridin-8-one","","","","","","","","","","","","","","","","","","","","8H-Isoquino[2,1-b][2,7]naphthyridin-8-one","","C1=CC=C2C(=C1)C=CN3C2=CC4=C(C3=O)C=NC=C4","MHAOLOCIMUJCIB-UHFFFAOYSA-N","388284",NA,"PDBC29935","682924","Present"
-"8H-Pyrimido[4,5-e][1,2,4]triazolo[1,2-a][1,2,4]triazine-1,3,8,10(2H,4H,9H)-tetrone, 6-[(4-chlorophenyl)amino]-2,4-dimethyl-9-phenyl-","","","","","","","","","","","","","","","","","","","","7-(4-Chloroanilino)-10,12-dimethyl-4-phenyl-2,4,6,8,10,12-hexazatricyclo[7.4.0.02,6]trideca-1(9),7-diene-3,5,11,13-tetrone","","CN1C2=C(C(=O)N(C1=O)C)N3C(=O)N(C(=O)N3C(=N2)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","BYVSIPNFZUMKBF-UHFFFAOYSA-N","387346",NA,"PDBC29936","681099","Present"
-"8H-Pyrimido[4,5-e][1,2,4]triazolo[1,2-a][1,2,4]triazine-1,3,8,10(2H,4H,9H)-tetrone, 6-[(4-chlorophenyl)amino]-9-(4-ethoxyphenyl)-2,4-dimethyl-","","","","","","","","","","","","","","","","","","","","7-(4-Chloroanilino)-4-(4-ethoxyphenyl)-10,12-dimethyl-2,4,6,8,10,12-hexazatricyclo[7.4.0.02,6]trideca-1(9),7-diene-3,5,11,13-tetrone","","CCOC1=CC=C(C=C1)N2C(=O)N3C4=C(N=C(N3C2=O)NC5=CC=C(C=C5)Cl)N(C(=O)N(C4=O)C)C","MDIVIFBDHKAGDB-UHFFFAOYSA-N","387347",NA,"PDBC29937","681100","Present"
-"8H-Quino[4,3,2-kl]acridine(9CI)","","","","","","","","","","","","","","","","","","","","Neuro_000407","","C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C5=C3C(=CC=C5)N2","SCZSPPOWUKAPDY-UHFFFAOYSA-N","438792",NA,"PDBC29938","670692","Present"
-"8H-Thieno[2,3-b]pyrrolizinium, 3-(4-bromophenyl)-4-methyl-8-(1-pyrrolidinyl)-, iodide","","","","","","","","","","","","","","","","","","","","8H-Thieno[2,3-b]pyrrolizinium, 3-(4-bromophenyl)-4-methy...","","C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=C(C=C4)Br)N5CCCC5.[I-]","HXBFZJGPBNRVAE-UHFFFAOYSA-M","388536",NA,"PDBC29939","683517","Present"
-"8H-[1,3]Thiazolo[3',4':1,2]imidazo[4,5-b]pyridine","","","","","","","","","","","","","","","","","","","","8H-[1,3]Thiazolo[3',4':1,2]imidazo[4,5-b]pyridine","","C1C2=NC3=C(N2CS1)C=CC=N3","FYAXHODWYVUAIY-UHFFFAOYSA-N","368704",NA,"PDBC29940","639840","Present"
-"8W-0228","","","","","","","","","","","","","","","","","","","","8W-0228","","CC1=CC(=O)NC(=N1)N2C(=O)C3=C(N2)CCCC3","ZIRMOHZKJYUEBC-UHFFFAOYSA-N","135408826",NA,"PDBC29941","680675","Present"
-"8W-0230","","","","","","","","","","","","","","","","","","","","8W-0230","","CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C3=C(N2)CCCC3","JMQKUBQDZZKADW-UHFFFAOYSA-N","387158",NA,"PDBC29942","680672","Present"
-"8W-0235","","","","","","","","","","","","","","","","","","","","8W-0235","","C1CCC2=C(C1)C(=O)N(N2)C3=NC(=CC(=O)N3)C4=CC=CC=C4","OOUVWNHMMDXNIM-UHFFFAOYSA-N","135439521",NA,"PDBC29943","680676","Present"
-"8W-0323","","","","","","","","","","","","","","","","","","","","8W-0323","","CC1=C(C(=O)N(N1)C2=NC(=CC(=O)N2)C3=CC=CC=C3)CCO","OJRDJBUJACVYFQ-UHFFFAOYSA-N","135409194",NA,"PDBC29944","664724","Present"
-"8X-0821","","","","","","","","","","","","","","","","","","","","8X-0821","","CCOC(=O)C1=CN2C3=C(C=C(C=C3)F)SC2=N1","UZDXFYLOOANIJW-UHFFFAOYSA-N","396585",NA,"PDBC29945","703093","Present"
-"8a-(2-Methoxyphenyl)-2a-methyl-2a,8a-dihydrooxeto[3,2-b]chromene-2,8-dione","","","","","","","","","","","","","","","","","","","","8a-(2-Methoxyphenyl)-2a-methyl-2a,8a-dihydrooxeto[3,2-b]chromene-2,8-dione","","CC12C(=O)OC1(C(=O)C3=CC=CC=C3O2)C4=CC=CC=C4OC","DIFFJHLTSPURHJ-UHFFFAOYSA-N","362429",NA,"PDBC29946","626368","Present"
-"8a-(4-Chlorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one","","","","","","","","","","","","","","","","","","","","8a-(4-Chlorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one","","C1CC2(NC3=C(N2C1=O)C=CC=N3)C4=CC=C(C=C4)Cl","SSEKINPAJALDBU-UHFFFAOYSA-N","368708",NA,"PDBC29947","639844","Present"
-"8a-(4-Chlorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[2,1-f]purin-6-one","","","","","","","","","","","","","","","","","","","","5a-(4-Chlorophenyl)-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one","","C1CC2(NC3=NC=NC=C3N2C1=O)C4=CC=C(C=C4)Cl","BUJJJDOCEFCTOD-UHFFFAOYSA-N","375662",NA,"PDBC29948","655503","Present"
-"8a-(4-Fluorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one","","","","","","","","","","","","","","","","","","","","8a-(4-Fluorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one","","C1CC2(NC3=C(N2C1=O)C=CC=N3)C4=CC=C(C=C4)F","OPSPNCQZCKHLHN-UHFFFAOYSA-N","368709",NA,"PDBC29949","639845","Present"
-"8a-(4-Fluorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[2,1-f]purin-6-one","","","","","","","","","","","","","","","","","","","","5a-(4-Fluorophenyl)-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one","","C1CC2(NC3=NC=NC=C3N2C1=O)C4=CC=C(C=C4)F","TZLPAQAKUQARDL-UHFFFAOYSA-N","375663",NA,"PDBC29950","655504","Present"
-"8a-Ethoxy-6,8-dimethyl-2-(4-toluidino)-6,8a-dihydro-5H-[1,3,4]thiadiazolo[3,2-d][1,2,4]triazine-5-thione","","","","","","","","","","","","","","","","","","","","8a-Ethoxy-6,8-dimethyl-2-(4-methylanilino)-[1,3,4]thiadiazolo[3,2-d][1,2,4]triazine-5-thione","","CCOC12C(=NN(C(=S)N1NC(=NC3=CC=C(C=C3)C)S2)C)C","OLRGMSZHVRDGAY-UHFFFAOYSA-N","135409033",NA,"PDBC29951","655068","Present"
-"8a-Ethyl-3-(hydroxymethyl)-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one","","","","","","","","","","","","","","","","","","","","8a-Ethyl-3-(hydroxymethyl)-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one","","CCC12CCCC(=O)N1C(C(O2)C3=CC=CC=C3)CO","ATCFHZPGPVLBLS-UHFFFAOYSA-N","359372",NA,"PDBC29952","620183","Present"
-"8a-Hydroxy-4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-6-one;2-[bis(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione","","","","","","","","","","","","","","","","","","","","8a-Hydroxy-4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-6-one;2-[bis(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione","","C1COC2(C=CC(=O)C=C2N1CCO)O.C1=CC(=O)C(=CC1=O)N(CCO)CCO","YLTQGXDKSJPYKS-UHFFFAOYSA-N","6712390",NA,"PDBC29953","679563","Present"
-"8a-Methyl-7,8,8a,10,11,13-hexahydro-6H,9H-benzo[7,8]isothiochromeno[4,3-c]thiochromen-9-one","","","","","","","","","","","","","","","","","","","","8a-Methyl-7,8,8a,10,11,13-hexahydro-6H,9H-benzo[7,8]isothiochromeno[4,3-c]thiochromen-9-one","","CC12CCC3=C(C1=CCCC2=O)CSC4=C3CSC5=CC=CC=C54","ZUQQCKGJXYPCIS-UHFFFAOYSA-N","375101",NA,"PDBC29954","654112","Present"
-"8a-Methyl-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one","","","","","","","","","","","","","","","","","","","","8a-Methyl-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one","","CC12CCC(=O)N1C3=C(N2)N=CC=C3","HQHUPVAFMSPKPB-UHFFFAOYSA-N","368706",NA,"PDBC29955","639842","Present"
-"8a-Methyl-7,8,8a,9-tetrahydro-6H-pyrrolo[2,1-f]purin-6-one","","","","","","","","","","","","","","","","","","","","5a-Methyl-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one","","CC12CCC(=O)N1C3=CN=CN=C3N2","GERDYGCBXHVJMR-UHFFFAOYSA-N","375661",NA,"PDBC29956","655502","Present"
-"8a-Phenyl-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one","","","","","","","","","","","","","","","","","","","","8a-Phenyl-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one","","C1CC2(NC3=C(N2C1=O)C=CC=N3)C4=CC=CC=C4","ICJGOYPVYRSWGD-UHFFFAOYSA-N","368707",NA,"PDBC29957","639843","Present"
-"8b-Hydroxy-3a-methyl-1-(4-nitrophenyl)indeno[1,2-d]triazol-4-one","","","","","","","","","","","","","","","","","","","","8b-Hydroxy-3a-methyl-1-(4-nitrophenyl)indeno[1,2-d]triazol-4-one","","CC12C(=O)C3=CC=CC=C3C1(N(N=N2)C4=CC=C(C=C4)[N+](=O)[O-])O","HWKUFLVWLDCUGM-UHFFFAOYSA-N","375389",NA,"PDBC29958","655061","Present"
-"8c-Chloro-10-methyl-9,11-dioxo-8c,9,10,11,11a,11b-hexahydro-8bH-phenanthro[9',10':3,4]cyclobuta[1,2-c]pyrrol-8b-yl acetate","","","","","","","","","","","","","","","","","","","","(19-Chloro-17-methyl-16,18-dioxo-17-azapentacyclo[12.5.0.02,7.08,13.015,19]nonadeca-2,4,6,8,10,12-hexaen-1-yl) acetate","","CC(=O)OC12C(C3C1(C(=O)N(C3=O)C)Cl)C4=CC=CC=C4C5=CC=CC=C25","HJLALHCILCKSMC-UHFFFAOYSA-N","372345",NA,"PDBC29959","647404","Present"
-"9(10H)-Acridinone, 1,3-bis(acetyloxy)-","","","","","","","","","","","","","","","","","","","","9(10H)-Acridinone, 1,3-bis(acetyloxy)-","","CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=CC=CC=C3N2","AJETWHCOUWPXNO-UHFFFAOYSA-N","375866",NA,"PDBC29960","656164","Present"
-"9(10H)-Acridinone, 1,3-bis(acetyloxy)-10-methyl-","","","","","","","","","","","","","","","","","","","","9(10H)-Acridinone, 1,3-bis(acetyloxy)-10-methyl-","","CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=CC=CC=C3N2C","NAYAWQCLUGXUJD-UHFFFAOYSA-N","375867",NA,"PDBC29961","656165","Present"
-"9(10H)-Anthracenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","9(10H)-Anthracenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","C1C2=CC=CC=C2C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C41","IURNRMYJBRECDR-UHFFFAOYSA-N","305123",NA,"PDBC29962","201873","Present"
-"9(10H)-Anthracenone, 2-methoxy-","","","","","","","","","","","","","","","","","","","","2-methoxy-9-anthrone","","COC1=CC2=C(CC3=CC=CC=C3C2=O)C=C1","XNWWJPDGBVFOFX-UHFFFAOYSA-N","436173",NA,"PDBC29963","400206","Present"
-"9(2H)-Acridinone, 1,3,4,10-tetrahydro-","","","","","","","","","","","","","","","","","","","","NSC766649","","C1CCC2=C(C1)C(=O)C3=CC=CC=C3N2","CVEXTAUZJWYDJX-UHFFFAOYSA-N","95996",NA,"PDBC29964","766649","Present"
-"9, 1-[(Oxiranylmethyl)amino]-","","","","","","","","","","","","","","","","","","","","9,10-Anthracenedione, 1-[(oxiranylmethyl)amino]-","","C1C(O1)CNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O","IQWLKDBTUNXTFR-UHFFFAOYSA-N","384119",NA,"PDBC29965","673348","Present"
-"9,10-Anthracenedione, 1,4-bis((3-((2-hydroxyethyl)amino)propyl)amino)-","","","","","","","","","","","","","","","","","","","","9,10-Anthracenedione, 1,4-bis[[3-[(2-hydroxyethyl)amino]...","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCCNCCO)NCCCNCCO","SIDWSIHMDVGHMD-UHFFFAOYSA-N","72743",NA,"PDBC29966","278467","Present"
-"9,10-Anthracenedione, 1-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-","","","","","","","","","","","","","","","","","","","","9,10-Anthracenedione, 1-hydroxy-4-[[2-[(2-hydroxyethyl)a...","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NCCNCCO","ODQHMLBNJHJVIM-UHFFFAOYSA-N","72747",NA,"PDBC29967","299187","Present"
-"9,10-Bis(4-((5-bromopentyl)oxy)phenyl)anthracene","","","","","","","","","","","","","","","","","","","","9,10-bis[4-(5-bromopentoxy)phenyl]anthracene","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)OCCCCCBr)C5=CC=C(C=C5)OCCCCCBr","IQKXIXAHZYRQIC-UHFFFAOYSA-N","378368",NA,"PDBC29968","660665","Present"
-"9,10-Bis(4-hydroxyphenyl)anthracene","","","","","","","","","","","","","","","","","","","","9,10-Bis(4-hydroxyphenyl)anthracene","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)O)C5=CC=C(C=C5)O","OPKQAOBTBQLNCB-UHFFFAOYSA-N","374566",NA,"PDBC29969","652540","Present"
-"9,10-Bis(4-methoxyphenyl)anthracene","","","","","","","","","","","","","","","","","","","","VLS3CT1D5Z","","COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OC","KTYCXBAOXVVIMM-UHFFFAOYSA-N","374567",NA,"PDBC29970","652541","Present"
-"9,10-Bis[(1-ethyl-3-piperidinylamino)methyl]anthracene","","","","","","","","","","","","","","","","","","","","9,10-Bis[(1-ethyl-3-piperidinylamino)methyl]anthracene","","CCN1CCCC(C1)NCC2=C3C=CC=CC3=C(C4=CC=CC=C42)CNC5CCCN(C5)CC","MNKRQQBDUQTENM-UHFFFAOYSA-N","360269",NA,"PDBC29971","622294","Present"
-"9,10-Bis{[-2-(piperazin-1-yl)etyl]aminometyl}antracene","","","","","","","","","","","","","","","","","","","","9,10-bis{[-2-(piperazin-1-yl)etyl]aminometyl}antracene","","C1CN(CCN1)CCNCC2=C3C=CC=CC3=C(C4=CC=CC=C42)CNCCN5CCNCC5.Cl","WCWMOTGTWPQKQO-UHFFFAOYSA-N","24203232",NA,"PDBC29972","727241","Present"
-"9,10-Dihydro-4-methoxy-9-oxo-1-acridinecarboxylic acid","","","","","","","","","","","","","","","","","","","","9,10-Dihydro-4-methoxy-9-oxo-1-acridinecarboxylic acid","","COC1=C2C(=C(C=C1)C(=O)O)C(=O)C3=CC=CC=C3N2","RZGKCTSDFWAMKX-UHFFFAOYSA-N","362334",NA,"PDBC29973","625993","Present"
-"9,10-Dihydro-9-anthracenyl 4-methylbenzenesulfinate","","","","","","","","","","","","","","","","","","","","9,10-Dihydro-9-anthracenyl 4-methylbenzenesulfinate","","CC1=CC=C(C=C1)S(=O)OC2C3=CC=CC=C3CC4=CC=CC=C24","UQCAOTZZYYGXSS-UHFFFAOYSA-N","361216",NA,"PDBC29974","624176","Present"
-"9,10-Dihydroanthracene-9,10-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","9,10-Dihydroanthracene-9,10-dicarboxylic acid","","C1=CC=C2C(C3=CC=CC=C3C(C2=C1)C(=O)O)C(=O)O","PVMCPGUXDQYVHS-UHFFFAOYSA-N","363755",NA,"PDBC29975","628947","Present"
-"9,10-Dihydroxy-7,8-dimethoxy-5-(1-naphthyl)-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one","","","","","","","","","","","","","","","","","","","","9,10-Dihydroxy-7,8-dimethoxy-5-(1-naphthyl)-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one","","COC1=C(C(=C2C(C3CCC(=O)N3C(C2=C1)C4=CC=CC5=CC=CC=C54)O)O)OC","OIHLTMSXVOAYSE-UHFFFAOYSA-N","393646",NA,"PDBC29976","695857","Present"
-"9,10-Dimethoxy-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride","","","","","","","","","","","","","","","","","","","","9,10-Dimethoxy-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride","","COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4C=C3)OCO5)OC.[Cl-]","OIIGDQKYHCFYQM-UHFFFAOYSA-M","54607904",NA,"PDBC29977","403831","Present"
-"9,10-Dimethoxy-7-oxo-6-phenylisoindolo[1,2-d][1,5]benzoxazepine-12-carbonitrile","","","","","","","","","","","","","","","","","","","","9,10-dimethoxy-7-oxo-6-phenyl-6,7-dihydroisoindolo[1,2-d...","","COC1=CC2=C(N3C4=CC=CC=C4OC(C(=O)C3=C2C=C1OC)C5=CC=CC=C5)C#N","HUFVQPGNJGRLJH-UHFFFAOYSA-N","155805232",NA,"PDBC29978","773195","Present"
-"9,10-Dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","","","","","","","","","","","","","","","","","","","9,10-Dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","CC12CC(C(C(=O)N1C)C(=O)N)C3=CC=CC=C3O2","OASASJFONJEUJL-UHFFFAOYSA-N","395967",NA,"PDBC29979","701091","Present"
-"9,10-Dimethyl-7-oxo-6-phenylisoindolo[1,2-d][1,5]benzoxazepine-12-carbonitrile","","","","","","","","","","","","","","","","","","","","9,10-dimethyl-7-oxo-6-phenyl-6,7-dihydroisoindolo[1,2-d]...","","CC1=CC2=C(N3C4=CC=CC=C4OC(C(=O)C3=C2C=C1C)C5=CC=CC=C5)C#N","ZBQXJGWNHFBMNS-UHFFFAOYSA-N","155808398",NA,"PDBC29980","773194","Present"
-"9,10-Dimethyl-9,10-[oxy[(diphenylphosphinyl)imino]]-9,10-dihydroanthracene","","","","","","","","","","","","","","","","","","","","16-Diphenylphosphoryl-1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene","","CC12C3=CC=CC=C3C(C4=CC=CC=C41)(ON2P(=O)(C5=CC=CC=C5)C6=CC=CC=C6)C","FZFFUVRVOVOCSC-UHFFFAOYSA-N","402155",NA,"PDBC29981","716015","Present"
-"9,10-Dimethylbenzo[g]pteridine-2,4-dione;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","9,10-Dimethylbenzo[g]pteridine-2,4-dione; 2,2,2-trifluoroacetic acid","","CC1=C2C(=CC=C1)N=C3C(=O)NC(=O)N=C3N2C.C(=O)(C(F)(F)F)O","PMLPHRBOHPYQGJ-UHFFFAOYSA-N","397199",NA,"PDBC29982","704609","Present"
-"9,10-Dimethylindolo[1,2-a]quinoline-8,11-dione","","","","","","","","","","","","","","","","","","","","9,10-Dimethylindolo[1,2-a]quinoline-8,11-dione","","CC1=C(C(=O)C2=C(C1=O)C=C3N2C4=CC=CC=C4C=C3)C","FRRDOQWLHDYYAT-UHFFFAOYSA-N","362142",NA,"PDBC29983","625728","Present"
-"9,10-Dimethylindolo[2,1-a]isoquinoline-8,11-dione","","","","","","","","","","","","","","","","","","","","9,10-Dimethylindolo[2,1-a]isoquinoline-8,11-dione","","CC1=C(C(=O)C2=C(C1=O)C=C3N2C=CC4=CC=CC=C43)C","AELLVPUNDHHFJG-UHFFFAOYSA-N","362140",NA,"PDBC29984","625726","Present"
-"9,10-Phenanthrenequinone","","","","","","","","","","","","","","","","","","","","phenanthraquinone","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O","YYVYAPXYZVYDHN-UHFFFAOYSA-N","6763",NA,"PDBC29985","7389","Present"
-"9,11,12,13,13a,14-Hexahydrophenanthro[9,10-f]indolizine","","","","","","","","","","","","","","","","","","","","GNF-Pf-2936","","C1CC2CC3=C(CN2C1)C4=CC=CC=C4C5=CC=CC=C35","BDTAOXSJTPSFQD-UHFFFAOYSA-N","265522",NA,"PDBC29986","101644","Present"
-"9,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","9,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CC1=CC2=C(C=C1)C3=C(N2C)C4=C(C=C3)C(=O)C=CC4=O","WCZVUFVLJZAYKC-UHFFFAOYSA-N","378584",NA,"PDBC29987","661224","Present"
-"9,12-Dihydroxy-8,11-dimethoxy-1,2,5,6-tetrahydro-3H,14H-dibenzo[de,g]pyrrolo[2,1-j]quinolin-3-one","","","","","","","","","","","","","","","","","","","","9,12-Dihydroxy-8,11-dimethoxy-1,2,5,6-tetrahydro-3H,14H-dibenzo[de,g]pyrrolo[2,1-j]quinolin-3-one","","COC1=C(C2=C3C(=C1)CCN4C3(CCC4=O)CC5=CC(=C(C=C52)OC)O)O","SPEGKEJJLFGOID-UHFFFAOYSA-N","362514",NA,"PDBC29988","626536","Present"
-"9,12-Dimethyl-9,12-diazaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.022,27]octacosa-1,3,5,7,10,13,15,17,19,22,24,26-dodecaene-21,28-dione","","","","","","","","","","","","","","","","","","","","9,12-Dimethyl-9,12-diazaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.022,27]octacosa-1,3,5,7,10,13,15,17,19,22,24,26-dodecaene-21,28-dione","","CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)C7=CC=CC=C7C4=O","ZAHWAIQMWRFGBG-UHFFFAOYSA-N","392071",NA,"PDBC29989","691883","Present"
-"9,14-Dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carbonitrile","","","","","","","","","","","","","","","","","","","","9,14-Dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carbonitrile","","CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1)O)C#N","HTBXZERVJGBJKZ-UHFFFAOYSA-N","405342",NA,"PDBC29990","722565","Present"
-"9,14-Dihydroxy-5,5-dimethyl-8-phenyl-8-azapentacyclo[11.8.0.01,9.02,7.015,20]henicosa-2(7),10,13,15,17,19-hexaene-3,12,21-trione","","","","","","","","","","","","","","","","","","","","9,14-Dihydroxy-5,5-dimethyl-8-phenyl-8-azapentacyclo[11.8.0.01,9.02,7.015,20]henicosa-2(7),10,13,15,17,19-hexaene-3,12,21-trione","","CC1(CC2=C(C(=O)C1)C34C(=C(C5=CC=CC=C5C3=O)O)C(=O)C=CC4(N2C6=CC=CC=C6)O)C","MNYFWXJHHGUDLX-UHFFFAOYSA-N","405343",NA,"PDBC29991","722566","Present"
-"9,20-Diisopropyl-1,13-dioxa-7,10,18,21-tetraazadispiro[4.6.4.6]docosa-10,21-diene-6,17-dione","","","","","","","","","","","","","","","","","","","","8,19-Di(propan-2-yl)-4,16-dioxa-7,10,18,21-tetrazadispiro[4.6.412.65]docosa-6,17-diene-11,22-dione","","CC(C)C1CNC(=O)C2(CCCO2)C=NC(CNC(=O)C3(CCCO3)C=N1)C(C)C","SWWRYTMRLMCVKD-UHFFFAOYSA-N","374397",NA,"PDBC29992","652107","Present"
-"9,24-Dibromononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28(32),29,33-hexadecaene-12,21-dione","","","","","","","","","","","","","","","","","","","","9,24-Dibromononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28(32),29,33-hexadecaene-12,21-dione","","C1=CC2=C(C=C1Br)C(=O)C3=CC=C4C5=CC=C6C7=C(C=CC(=C57)C8=C4C3=C2C=C8)C9=C(C6=O)C=C(C=C9)Br","YAWQJGMFKCTSSJ-UHFFFAOYSA-N","222032",NA,"PDBC29993","7233","Present"
-"9,30-Dimethyl-1,5,7,8,11,12,14,18,21,25,27,28,31,32,34,38-hexadecaazatricyclo[36.2.2.2~18,21~]tetratetraconta-8,10,28,30-tetraene-6,13,26,33-tetrathione","","","","","","","","","","","","","","","","","","","","9,30-Dimethyl-1,5,7,8,11,12,14,18,21,25,27,28,31,32,34,38-hexadecazatricyclo[36.2.2.218,21]tetratetraconta-8,10,28,30-tetraene-6,13,26,33-tetrathione","","CC1=NNC(=S)NCCCN2CCN(CCCNC(=S)NN=C(C=NNC(=S)NCCCN3CCN(CCCNC(=S)NN=C1)CC3)C)CC2","CSPIUSACYPPDGM-UHFFFAOYSA-N","6399289",NA,"PDBC29994","91767","Present"
-"9,4-Dione, 2,3-dichloro-9,10-dihydro-","","","","","","","","","","","","","","","","","","","","9,10-o-Benzenoanthracene-1,4-dione, 2,3-dichloro-9,10-di...","","C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C3C(=O)C(=C(C5=O)Cl)Cl","BHXOWUDBEKWKER-UHFFFAOYSA-N","237850",NA,"PDBC29995","41782","Present"
-"9,9,13,13-Tetramethyl-3,19-dioxa-30,33-diazaoctacyclo[19.8.4.14,8.111,14.024,32.027,31.011,35.018,34]pentatriaconta-1(30),4,6,8(35),14(34),15,17,21(33),22,24(32),25,27(31),28-tridecaene","","","","","","","","","","","","","","","","","","","","9,9,13,13-Tetramethyl-3,19-dioxa-30,33-diazaoctacyclo[19.8.4.14,8.111,14.024,32.027,31.011,35.018,34]pentatriaconta-1(30),4,6,8(35),14(34),15,17,21(33),22,24(32),25,27(31),28-tridecaene","","CC1(CC23CC(C4=C2C(=CC=C4)OCC5=NC6=C(C=C5)C=CC7=C6N=C(COC8=CC=CC1=C38)C=C7)(C)C)C","YHKRKSBKIASCIZ-UHFFFAOYSA-N","393208",NA,"PDBC29996","694696","Present"
-"9,9,20,20-Tetramethyl-1,13-dioxa-7,10,18,21-tetraazadispiro[4.6.4.6]docosa-10,21-diene-6,17-dione","","","","","","","","","","","","","","","","","","","","8,8,19,19-Tetramethyl-4,16-dioxa-7,10,18,21-tetrazadispiro[4.6.412.65]docosa-6,17-diene-11,22-dione","","CC1(CNC(=O)C2(CCCO2)C=NC(CNC(=O)C3(CCCO3)C=N1)(C)C)C","NHOTUVIIHPWZOU-UHFFFAOYSA-N","374396",NA,"PDBC29997","652106","Present"
-"9,9,9a-Trimethyl-3-phenyl-9,9a-dihydro[1,2,4]oxadiazolo[4,5-a]indole","","","","","","","","","","","","","","","","","","","","3a,4,4-Trimethyl-1-phenyl-[1,2,4]oxadiazolo[4,5-a]indole","","CC1(C2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C)C","IXYMROIYCOEWNQ-UHFFFAOYSA-N","373089",NA,"PDBC29998","649009","Present"
-"9,9-Bis-benzyloxy-10-oxa-3,4,5-triaza-tricyclo[5.2.1.02,6]dec-4-ene-3-carboxylic acid benzyl ester","","","","","","","","","","","","","","","","","","","","Benzyl 6,6-bis(benzyloxy)-3a,4,5,6,7,7a-hexahydro-1h-4,7-epoxybenzotriazole-1-carboxylate","","C1C2C3C(C(C1(OCC4=CC=CC=C4)OCC5=CC=CC=C5)O2)N(N=N3)C(=O)OCC6=CC=CC=C6","IDABUXLYLVKNKN-UHFFFAOYSA-N","368615",NA,"PDBC29999","639723","Present"
-"9,9-Dibromobicyclo[6.1.0]non-2-ene","","","","","","","","","","","","","","","","","","","","9,9-Dibromobicyclo[6.1.0]non-2-ene","","C1CCC2C(C2(Br)Br)C=CC1","SNDYDXJCUVOMRX-HYXAFXHYSA-N","5387609",NA,"PDBC30000","625144","Present"
-"9,9-Dimethyl-8-pyridin-2-yl-3,5-dioxa-4lambda4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene","","","","","","","","","","","","","","","","","","","","9,9-Dimethyl-8-pyridin-2-yl-3,5-dioxa-4lambda4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene","","CC1(CC2=NOS3=C2C(=NO3)C1C4=CC=CC=N4)C","QLFVKGGFKNQVBB-UHFFFAOYSA-N","356809",NA,"PDBC30001","614053","Present"
-"9-((2-(Dimethylamino)-1-methylethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine","","","","","","","","","","","","","","","","","","","","9-((2-(Dimethylamino)-1-methylethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine","","CC(CN(C)C)NC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","QYDPRQWGHLCCDO-UHFFFAOYSA-N","384252",NA,"PDBC30002","673798","Present"
-"9-((2-(Dimethylamino)ethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine","","","","","","","","","","","","","","","","","","","","9-((2-(Dimethylamino)ethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine","","CN(C)CCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","FGQDRDARUWHKTA-UHFFFAOYSA-N","378851",NA,"PDBC30003","662191","Present"
-"9-((2-Chloroethyl)thio)-2,7-dimethoxyacridine","","","","","","","","","","","","","","","","","","","","9-((2-Chloroethyl)thio)-2,7-dimethoxyacridine","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCl)OC","WWWWJQHYTOSMNM-UHFFFAOYSA-N","395389",NA,"PDBC30004","699925","Present"
-"9-((2-Ethoxy-1-(mercaptomethyl)-2-oxoethyl)amino)-9-oxononanoic acid","","","","","","","","","","","","","","","","","","","","9-((2-Ethoxy-1-(mercaptomethyl)-2-oxoethyl)amino)-9-oxononanoic acid","","CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)O","HMLOPVWBBMGPLP-UHFFFAOYSA-N","393120",NA,"PDBC30005","694520","Present"
-"9-((3-(Diethylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine","","","","","","","","","","","","","","","","","","","","9-((3-(Diethylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine","","CCN(CC)CCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","YUXSIPUVVAIXPX-UHFFFAOYSA-N","378852",NA,"PDBC30006","662192","Present"
-"9-((3-(Diisopropylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate","","","","","","","","","","","","","","","","","","","","9-((3-(Diisopropylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate","","CC(C)N(CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(C)C.CS(=O)(=O)O","DYVCHPFZWVWSDD-UHFFFAOYSA-N","382867",NA,"PDBC30007","670701","Present"
-"9-((3-(Dimethylamino)propyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine","","","","","","","","","","","","","","","","","","","","9-((3-(Dimethylamino)propyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine","","CN(C)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)[N+](=O)[O-])OC","OVSWVIIGLLDHPD-UHFFFAOYSA-N","384258",NA,"PDBC30008","673804","Present"
-"9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine","","","","","","","","","","","","","","","","","","","","9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine","","CCCCCCNCCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","ULFUFZLCZTZFOI-UHFFFAOYSA-N","384248",NA,"PDBC30009","673794","Present"
-"9-((3-(Hydroxy(diisopropyl)-lambda~5~-azanyl)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate","","","","","","","","","","","","","","","","","","","","(Met5,Pro6,D-Phe7,D-Trp9,Phe10)-a-MSH (5-13)","","CC(C)[N+](CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])(C(C)C)[O-].CS(=O)(=O)O","WNYBRSMBKFFCBV-UHFFFAOYSA-N","382869",NA,"PDBC30010","670702","Present"
-"9-((4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazono)-10-methyl-9,10-dihydroacridine","","","","","","","","","","","","","","","","","","","","9-((4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazono)-10-methyl-9,10-dihydroacridine","","CN1C2=CC=CC=C2C(=NNC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)C4=CC=CC=C41","DPSMWGHJGBYYMX-UHFFFAOYSA-N","385773",NA,"PDBC30011","677167","Present"
-"9-((5-(Dimethylamino)pentyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine","","","","","","","","","","","","","","","","","","","","9-((5-(Dimethylamino)pentyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine","","CN(C)CCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)[N+](=O)[O-])OC","CWYZOPPELONHCA-UHFFFAOYSA-N","384255",NA,"PDBC30012","673801","Present"
-"9-((Allyloxy)methyl)-2-amino-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","9-((Allyloxy)methyl)-2-amino-9H-purin-6-ol","","C=CCOCN1C=NC2=C1N=C(NC2=O)N","WQFPUEKQQCRHDW-UHFFFAOYSA-N","135409086",NA,"PDBC30013","657616","Present"
-"9-((Allyloxy)methyl)-9H-purin-6-amine","","","","","","","","","","","","","","","","","","","","9-((Allyloxy)methyl)-9H-purin-6-amine","","C=CCOCN1C=NC2=C(N=CN=C21)N","CTMCPHCABLRODL-UHFFFAOYSA-N","376604",NA,"PDBC30014","657615","Present"
-"9-(1,3-Benzodioxol-5-yl)-5a-methoxy-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","","","","","","","","","","","","","","","","","","","8-(1,3-Benzodioxol-5-yl)-3-methoxy-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one","","COC12COC(=O)C1C(C3=CC4=C(C=C3O2)OCO4)C5=CC6=C(C=C5)OCO6","LKMOYPCVIIXXNG-UHFFFAOYSA-N","380098",NA,"PDBC30015","665496","Present"
-"9-(1-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine","","","","","","","","","","","","","","","","","","","","9-(1-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine","","CC(C1=C2C=CC=CC2=NC3=CC=CC=C31)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","HRIGVAWMROYHFD-UHFFFAOYSA-N","363145",NA,"PDBC30016","627729","Present"
-"9-(1-Iodo-1-propenyloxymethyl)adenine","","","","","","","","","","","","","","","","","","","","9-(1-Iodo-1-propenyloxymethyl)adenine","","C1=NC(=C2C(=N1)N(C=N2)COCC=CI)N","MASBGTDCOLNPIY-OWOJBTEDSA-N","5388188",NA,"PDBC30017","633124","Present"
-"9-(1-Methylethoxy)ellipticine","","","","","","","","","","","","","","","","","","","","5,11-Dimethyl-9-(propan-2-yloxy)-6H-pyrido[4,3-b]carbazole","","CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)C)C","QXCXUBSKGBSIRB-UHFFFAOYSA-N","373615",NA,"PDBC30018","650264","Present"
-"9-(1-Phenylethyl)-9H-pyrimido[4,5-b]indol-4-amine","","","","","","","","","","","","","","","","","","","","9-(1-Phenylethyl)-9H-pyrimido[4,5-b]indol-4-amine","","CC(C1=CC=CC=C1)N2C3=CC=CC=C3C4=C(N=CN=C42)N","MROOOCJVUYFRAZ-UHFFFAOYSA-N","382815",NA,"PDBC30019","670551","Present"
-"9-(2,2,2-Trifluoroethoxy)ellipticine","","","","","","","","","","","","","","","","","","","","9-(2,2,2-Trifluoroethoxy)ellipticine","","CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OCC(F)(F)F)C","BQPOSOCOOSZGEN-UHFFFAOYSA-N","373607",NA,"PDBC30020","650258","Present"
-"9-(2,3-Dihydroxy-3-methylbutoxy)-[1,3]dioxolo[4,5-g]chromen-6-one","","","","","","","","","","","","","","","","","","","","9-(2,3-Dihydroxy-3-methyl-butoxy)-[1,3]dioxolo[4,5-g]chromen-6-one","","CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1OCO3)O)O","RDPGEFVUMRTSBB-UHFFFAOYSA-N","179597",NA,"PDBC30021","649414","Present"
-"9-(2,3-Dihydroxypropyl)adenine","","","","","","","","","","","","","","","","","","","","9H-Purine-9-propanol,6-amino-.alpha.-hydroxy-","","C1=NC(=C2C(=N1)N(C=N2)CC(CO)O)N","GSLQFBVNOFBPRJ-UHFFFAOYSA-N","114769",NA,"PDBC30022","627616","Present"
-"9-(2,3-Dimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","","","","","","","","","","","","","","","","","","","9-(2,3-Dimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","COC1=CC=CC(=C1OC)C2C3C(COC3=O)OC4=CC5=C(C=C24)OCO5","NUCFVLUQYPWOTM-UHFFFAOYSA-N","380101",NA,"PDBC30023","665499","Present"
-"9-(2,4-Dimethoxyphenyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide","","","","","","","","","","","","","","","","","","","","9-(2,4-Dimethoxyphenyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide","","CC1(NC2=C(C(=N1)C(=O)N)N=CN2C3=C(C=C(C=C3)OC)OC)C","BFGHUMZECBNGAE-UHFFFAOYSA-N","135409227",NA,"PDBC30024","670261","Present"
-"9-(2,4-Dimethoxyphenyl)-5a-methoxy-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","","","","","","","","","","","","","","","","","","","8-(2,4-Dimethoxyphenyl)-3-methoxy-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one","","COC1=CC(=C(C=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC)OC","DCTYZTVYCGVAFU-UHFFFAOYSA-N","380093",NA,"PDBC30025","665491","Present"
-"9-(2,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","","","","","","","","","","","","","","","","","","","9-(2,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","COC1=CC(=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC","WAQADCCLNSOVFY-UHFFFAOYSA-N","380092",NA,"PDBC30026","665490","Present"
-"9-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine","","","","","","","","","","","","","","","","","","","","9-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine","","COC1=CC(=C(C=C1)OC)C2CCC3=CN=C4C(=C3C2)C(=NC(=N4)N)N","KSDUJWSZZMWRBN-UHFFFAOYSA-N","402878",NA,"PDBC30027","717168","Present"
-"9-(2,6-Dichlorophenyl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","","","","","","","","","","","","","","","","","","","9-(2,6-Dichlorophenyl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","C1=CC(=C(C(=C1)Cl)C2C3C(=O)NC(=O)C2C(=O)NC3=O)Cl","UPXVKOCBDZBEGT-UHFFFAOYSA-N","366979",NA,"PDBC30028","636141","Present"
-"9-(2,6-Dimethyltetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione","","","","","","","","","","","","","","","","","","","","9-(2,6-Dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione","","CC1OCC2C(O1)C(OC(O2)C)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C","NUIBXLWXNAKBGU-UHFFFAOYSA-N","343790",NA,"PDBC30029","400290","Present"
-"9-(2-(2-(1-Piperidinyl)ethoxy)ethyl)-2,3,4,9-tetrahydro-1H-carbazole","","","","","","","","","","","","","","","","","","","","9-(2-(2-(1-Piperidinyl)ethoxy)ethyl)-2,3,4,9-tetrahydro-1H-carbazole","","C1CCN(CC1)CCOCCN2C3=C(CCCC3)C4=CC=CC=C42","LUHVHGMEYBCDJD-UHFFFAOYSA-N","382633",NA,"PDBC30030","670274","Present"
-"9-(2-(3-(1-Piperidinyl)propoxy)ethyl)-2,3,4,9-tetrahydro-1H-carbazole","","","","","","","","","","","","","","","","","","","","9-(2-(3-(1-Piperidinyl)propoxy)ethyl)-2,3,4,9-tetrahydro-1H-carbazole","","C1CCN(CC1)CCCOCCN2C3=C(CCCC3)C4=CC=CC=C42","LCLDMRYPYSSXSY-UHFFFAOYSA-N","383807",NA,"PDBC30031","672343","Present"
-"9-(2-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[2-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)C","RLASFVDLAOZBDZ-UHFFFAOYSA-N","385789",NA,"PDBC30032","677183","Present"
-"9-(2-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-((2-pyrimidinylamino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[2-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC=CC=N7)C","VIWHMVITZOPMDO-UHFFFAOYSA-N","385784",NA,"PDBC30033","677178","Present"
-"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine","","","","","","","","","","","","","","","","","","","","9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CCNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","ZXWHDFAFFXJNMK-UHFFFAOYSA-N","363144",NA,"PDBC30034","627728","Present"
-"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[2-[4-(Diaminomethylideneamino)sulfonylphenyl]hydrazinyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NNC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","XQONOXGATBVWSD-UHFFFAOYSA-N","385785",NA,"PDBC30035","677179","Present"
-"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[2-[4-(Diaminomethylideneamino)sulfonylphenyl]hydrazinyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NNC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","BTTGSRJMRZIDSQ-UHFFFAOYSA-N","385791",NA,"PDBC30036","677185","Present"
-"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-((2-pyrimidinylamino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[2-[4-(Diaminomethylideneamino)sulfonylphenyl]hydrazinyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)NNC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","YWHZCASGHYKIOY-UHFFFAOYSA-N","385783",NA,"PDBC30037","677177","Present"
-"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-(aminosulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[2-[4-(Carbamimidoylsulfamoyl)phenyl]hydrazino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NNC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","SMJMGMGHNLLSHD-UHFFFAOYSA-N","385790",NA,"PDBC30038","677184","Present"
-"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)acridine","","","","","","","","","","","","","","","","","","","","9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)acridine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","HJAFBKVABNXWAN-UHFFFAOYSA-N","385775",NA,"PDBC30039","677169","Present"
-"9-(2-(4-(Aminosulfonyl)phenyl)hydrazino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-9-[2-(4-sulfamoylphenyl)hydrazinyl]acridine-4-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NNC6=CC=C(C=C6)S(=O)(=O)N","IOIDEIFFFOHQLF-UHFFFAOYSA-N","385788",NA,"PDBC30040","677182","Present"
-"9-(2-(4-(Aminosulfonyl)phenyl)hydrazino)-N-(4-((2-pyrimidinylamino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]-9-[2-(4-sulfamoylphenyl)hydrazinyl]acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)NNC6=CC=C(C=C6)S(=O)(=O)N","RDLRTYNDVNFVKL-UHFFFAOYSA-N","385782",NA,"PDBC30041","677176","Present"
-"9-(2-(4-Morpholinyl)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole","","","","","","","","","","","","","","","","","","","","9-(2-(4-Morpholinyl)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole","","C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)N4CCOCC4","AXHVOCPBYFMHNJ-UHFFFAOYSA-N","381588",NA,"PDBC30042","668379","Present"
-"9-(2-(Diamylamino)-1-hydroxyethyl)-1,2,3,4-tetrahydrophenanthrene hydrochloride","","","","","","","","","","","","","","","","","","","","NSC11883///NSC62485","","CCCCCN(CCCCC)CC(C1=CC2=C(CCCC2)C3=CC=CC=C31)O.Cl","VVKWWYCDQUVEIJ-UHFFFAOYSA-N","24181846",NA,"PDBC30043","11883///62485","Present"
-"9-(2-(Hydroxy(oxido)amino)-4,5-dimethoxyphenyl)-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","","","","","","","","","","","","","","","","","","","9-(4,5-Dimethoxy-2-nitro-phenyl)-10-(p-tolyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione","","CC1=CC=C(C=C1)N2C3=C(C(C4=C2CCCC4=O)C5=CC(=C(C=C5[N+](=O)[O-])OC)OC)C(=O)CCC3","FYWWWZZORSDQBV-UHFFFAOYSA-N","379948",NA,"PDBC30044","665140","Present"
-"9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine","","","","","","","","","","","","","","","","","","","","9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)N)N","CQKMBZHLOYVGHW-UHFFFAOYSA-N","100053",NA,"PDBC30045","121182","Present"
-"9-(2-Bromoethoxymethyl)-2-(4-butylanilino)purin-6-ol","","","","","","","","","","","","","","","","","","","","9-(2-Bromoethoxymethyl)-2-(4-butylanilino)purin-6-ol","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3COCCBr","QFVOXZXUCHZUHJ-UHFFFAOYSA-N","135438225",NA,"PDBC30046","681691","Present"
-"9-(2-Chloroethoxymethyl)-1,3-diphenyl-2-thioxo-purin-6-one","","","","","","","","","","","","","","","","","","","","9-(2-Chloroethoxymethyl)-1,3-diphenyl-2-thioxo-purin-6-one","","C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4)N=CN3COCCCl","SRCXQJRCOMPWFL-UHFFFAOYSA-N","387936",NA,"PDBC30047","682241","Present"
-"9-(2-Chloroethyl)-1,3-bis(2-methylphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","","","","","","","","","","","","","","","","","","","","9-(2-Chloroethyl)-1,3-bis(2-methylphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","","CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3CCCl","PTLVJVYBRPUEKZ-UHFFFAOYSA-N","390381",NA,"PDBC30048","687723","Present"
-"9-(2-Chloroethyl)-1,3-diphenyl-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","","","","","","","","","","","","","","","","","","","","9-(2-Chloroethyl)-1,3-diphenyl-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","","C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4)N=CN3CCCl","HIGJKCTWIOBONR-UHFFFAOYSA-N","387935",NA,"PDBC30049","682240","Present"
-"9-(2-Chloroethylsulfanyl)acridine","","","","","","","","","","","","","","","","","","","","9-((2-Chloroethyl)thio)acridine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SCCCl","BWGAICSQKUMIJL-UHFFFAOYSA-N","395387",NA,"PDBC30050","699923","Present"
-"9-(2-Chloroethylsulfinyl)acridine","","","","","","","","","","","","","","","","","","","","9-(2-Chloroethylsulfinyl)acridine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)S(=O)CCCl","SWDGVAWVKVTANO-UHFFFAOYSA-N","395388",NA,"PDBC30051","699924","Present"
-"9-(2-Chlorophenyl)-3,3,7,7-tetramethyl-2,3,4,7,8,9-hexahydro-1H-xanthene-1,5(6H)-dione","","","","","","","","","","","","","","","","","","","","9-(2-Chlorophenyl)-3,3,7,7-tetramethyl-2,3,4,7,8,9-hexahydro-1H-xanthene-1,5(6H)-dione","","CC1(CC2=C(C(=O)C1)OC3=C(C2C4=CC=CC=C4Cl)C(=O)CC(C3)(C)C)C","VNMFPHPGMWWBLM-UHFFFAOYSA-N","379637",NA,"PDBC30052","664345","Present"
-"9-(2-Chlorophenyl)-4a-hydroxy-3,3,7,7-tetramethyl-2,3,4,4a,7,8,9,9a-octahydro-1H-xanthene-1,5(6H)-dione","","","","","","","","","","","","","","","","","","","","9-(2-Chlorophenyl)-4a-hydroxy-3,3,7,7-tetramethyl-2,4,6,8,9,9a-hexahydroxanthene-1,5-dione","","CC1(CC2=C(C(=O)C1)OC3(CC(CC(=O)C3C2C4=CC=CC=C4Cl)(C)C)O)C","UKZIJXQQAJBULQ-UHFFFAOYSA-N","379634",NA,"PDBC30053","664342","Present"
-"9-(2-Deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine","","","","","","","","","","","","","","","","","","","","9-(2-Deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine","","COC1=NC(=NC2=C1N=CN2C3CC(C(O3)CO)O)N","BCKDNMPYCIOBTA-UHFFFAOYSA-N","264742",NA,"PDBC30054","100044","Present"
-"9-(2-Fluorophenyl)-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one","","","","","","","","","","","","","","","","","","","","9-(2-Fluorophenyl)-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one","","CC(C)OC1=C(C2=C3C(=C1OC(C)C)OC(=O)N3C=CC2C4=CC=CC=C4F)O","PQOBOLQAGIWBNQ-UHFFFAOYSA-N","389258",NA,"PDBC30055","685011","Present"
-"9-(2-Furylmethyl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","","","","","","","","","","","","","","","","","","","9-(2-Furylmethyl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","C1=COC(=C1)CC2C3C(=O)NC(=O)C2C(=O)NC3=O","NECFSMQHZCSXBM-UHFFFAOYSA-N","367033",NA,"PDBC30056","636361","Present"
-"9-(2-Furylmethyl)-9H-purine-6-thiol","","","","","","","","","","","","","","","","","","","","9-(2-Furylmethyl)-9H-purine-6-thiol","","C1=COC(=C1)CN2C=NC3=C2NC=NC3=S","XPKNCYCTWFVAJB-UHFFFAOYSA-N","3246290",NA,"PDBC30057","78043","Present"
-"9-(2-Hydroxyethyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide","","","","","","","","","","","","","","","","","","","","9-(2-Hydroxyethyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide","","CC1(NC2=C(C(=N1)C(=O)N)N=CN2CCO)C","HARATEPERDPBSC-UHFFFAOYSA-N","135409225",NA,"PDBC30058","670257","Present"
-"9-(2-Hydroxyethyl)-2-methyl-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","9-(2-Hydroxyethyl)-2-methyl-9H-purin-6-ol","","CC1=NC2=C(C(=O)N1)N=CN2CCO","HFWZZPMDKGQWEU-UHFFFAOYSA-N","135409230",NA,"PDBC30059","670265","Present"
-"9-(2-Methoxyphenyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide","","","","","","","","","","","","","","","","","","","","9-(2-Methoxyphenyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide","","CC1(NC2=C(C(=N1)C(=O)N)N=CN2C3=CC=CC=C3OC)C","ZRJGYCGZBNNWJC-UHFFFAOYSA-N","135409226",NA,"PDBC30060","670260","Present"
-"9-(2-Methoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","","","","","","","","","","","","","","","","","","","9-(2-Methoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","COC1=CC=CC=C1C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4","DRENTJWEDIMNIA-UHFFFAOYSA-N","380089",NA,"PDBC30061","665487","Present"
-"9-(2-Methylpropyl)-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine","","","","","","","","","","","","","","","","","","","","9-(2-Methylpropyl)-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine","","CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=N3)N","LXDUJBPGPHPPDF-UHFFFAOYSA-N","243159",NA,"PDBC30062","52445","Present"
-"9-(2-Oxo-2-(1-piperidinyl)ethyl)-2,3,4,9-tetrahydro-1H-carbazole","","","","","","","","","","","","","","","","","","","","9-(2-Oxo-2-(1-piperidinyl)ethyl)-2,3,4,9-tetrahydro-1H-carbazole","","C1CCN(CC1)C(=O)CN2C3=C(CCCC3)C4=CC=CC=C42","BYMMVAHESBOFIP-UHFFFAOYSA-N","381587",NA,"PDBC30063","668378","Present"
-"9-(2-Oxo-2-(1-pyrrolidinyl)ethyl)-2,3,4,9-tetrahydro-1H-carbazole","","","","","","","","","","","","","","","","","","","","9-(2-Oxo-2-(1-pyrrolidinyl)ethyl)-2,3,4,9-tetrahydro-1H-carbazole","","C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)N4CCCC4","ARHRUEXPRKGAQS-UHFFFAOYSA-N","381586",NA,"PDBC30064","668377","Present"
-"9-(2-Phenylsulfanylethyl)-1,4-dioxaspiro[4.5]decan-8-one","","","","","","","","","","","","","","","","","","","","9-(2-Phenylsulfanylethyl)-1,4-dioxaspiro[4.5]decan-8-one","","C1CC2(CC(C1=O)CCSC3=CC=CC=C3)OCCO2","HAUZBNPTOCRVHI-UHFFFAOYSA-N","394586",NA,"PDBC30065","698166","Present"
-"9-(3,4-Dichlorophenyl)purine-2,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","9-(3,4-Dichlorophenyl)purine-2,6-diamine;hydrochloride","","C1=CC(=C(C=C1N2C=NC3=C(N=C(N=C32)N)N)Cl)Cl.Cl","YHXVFDYWHYTVMN-UHFFFAOYSA-N","24183689",NA,"PDBC30066","29604","Present"
-"9-(3,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","","","","","","","","","","","","","","","","","","","Furo[3',4':5,6]pyrano[2,3-f]-1,3-benzodioxol-8-one, 6,9-...","","COC1=C(C=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC","BXXNCWIVUYZMST-UHFFFAOYSA-N","380099",NA,"PDBC30067","665497","Present"
-"9-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6-dione","","","","","","","","","","","","","","","","","","","","9-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6-dione","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2COC(=O)COCC(=O)OCCOCCOCCO2","YDAOTZCTPZHSTI-UHFFFAOYSA-N","386884",NA,"PDBC30068","679742","Present"
-"9-(3,7-Bis((dimethylamino)methyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, dihydrochloride","","","","","","","","","","","","","","","","","","","","9-(3,4-dichlorophenyl)-2,7-bis((dimethylamino)methyl)-3,...","","CN(C)CC1CCC2=C(C1=O)C(C3=C(O2)CCC(C3=O)CN(C)C)C4=CC(=C(C=C4)Cl)Cl.Br","QOESRCUFUKREEE-UHFFFAOYSA-N","15940307",NA,"PDBC30069","371488","Present"
-"9-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-1,4-dioxaspiro[4.6]undec-6-en-8-one","","","","","","","","","","","","","","","","","","","","9-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-1,4-dioxaspiro[4.6]undec-6-en-8-one","","CC1(OCCO1)C2=CC=CC(=C2)C3CCC4(C=CC3=O)OCCO4","SEBJLTAXUNJIRE-UHFFFAOYSA-N","375526",NA,"PDBC30070","655305","Present"
-"9-(3-Aminophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","","","","","","","","","","","","","","","","","","","9-(3-Aminophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","CC1(C2C(=O)NC(=O)C1C(=O)NC2=O)C3=CC(=CC=C3)N","JITLZANUDWJYKG-UHFFFAOYSA-N","367023",NA,"PDBC30071","636350","Present"
-"9-(3-Bromopropyl)-14-methoxy-5-nitro-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione","","","","","","","","","","","","","","","","","","","","7-Aza-5, 6-dihydro-6-(3-bromopropyl)-9-methoxy-3-nitro-5...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)N=C1","RJMPNBLDKMGHPA-UHFFFAOYSA-N","135163962",NA,"PDBC30072","783073","Present"
-"9-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione","","","","","","","","","","","","","","","","","","","","9-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione","","CN1C2=C(C(=O)N(C1=O)C)N3C=CC(=O)N(C3=N2)CC(CCl)O","XXLDTBWDIIEBQW-UHFFFAOYSA-N","392199",NA,"PDBC30073","692332","Present"
-"9-(3-Chloropropyl)-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione","","","","","","","","","","","","","","","","","","","","9-(3-Chloropropyl)-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione","","CN1C2=C(C(=O)N(C1=O)C)N3CCC(=O)N(C3=N2)CCCCl","GUNRMVPQZSJDRF-UHFFFAOYSA-N","392200",NA,"PDBC30074","692333","Present"
-"9-(3-Chloropropyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione","","","","","","","","","","","","","","","","","","","","9-(3-Chloropropyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione","","CN1C2=C(C(=O)N(C1=O)C)N3C=CC(=O)N(C3=N2)CCCCl","HLJPKYFYJQUHNJ-UHFFFAOYSA-N","392198",NA,"PDBC30075","692331","Present"
-"9-(3-Dimethylaminopropyl)-2-trifluoromethylxanthene, hydrochloride","","","","","","","","","","","","","","","","","","","","NSC170992","","CN(C)CCCC1C2=CC=CC=C2OC3=C1C=C(C=C3)C(F)(F)F.Cl","YUUZQGNAFQIHQL-UHFFFAOYSA-N","6432192",NA,"PDBC30076","170992","Present"
-"9-(3-Hydroxypropyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide","","","","","","","","","","","","","","","","","","","","9-(3-Hydroxypropyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide","","CC1(NC2=C(C(=N1)C(=O)N)N=CN2CCCO)C","VLWIAMPUZMNPDR-UHFFFAOYSA-N","135406376",NA,"PDBC30077","670258","Present"
-"9-(4,5-Bis(4-methylphenoxy)tetrahydro-2-furanyl)-2-bromo-9H-purin-6-ol","","","","","","","","","","","","","","","","","","","","9-(4,5-Bis(4-methylphenoxy)tetrahydro-2-furanyl)-2-bromo-9H-purin-6-ol","","CC1=CC=C(C=C1)OC2CC(OC2OC3=CC=C(C=C3)C)N4C=NC5=C4N=C(NC5=O)Br","DKZYPYLJPMBYPP-UHFFFAOYSA-N","135489817",NA,"PDBC30078","680821","Present"
-"9-(4-(((3,4-Dimethyl-5-isoxazolyl)amino)sulfonyl)anilino)-N-(4-(((3,4-dimethyl-5-isoxazolyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[4-[(3,4-Dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acridine-2-carboxamide","","CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=C(C(=NO7)C)C","YULHHXLYDFKUPV-UHFFFAOYSA-N","385752",NA,"PDBC30079","677146","Present"
-"9-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC(CO)(CO)CO)C","GQHFXCLQGQUMNO-UHFFFAOYSA-N","384531",NA,"PDBC30080","674502","Present"
-"9-(4-(((5-Methyl-3-isoxazolyl)amino)sulfonyl)anilino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-2-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C","BOKFOSCRZVJNCJ-UHFFFAOYSA-N","385751",NA,"PDBC30081","677145","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-1-chloro-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","1-Chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl)C","OCSVZQMFMSYECI-UHFFFAOYSA-N","365421",NA,"PDBC30082","633041","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-4-((2-(2-hydroxyethyl)hydrazino)carbonyl)acridine","","","","","","","","","","","","","","","","","","","","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-4-((2-(2-hydroxyethyl)hydrazino)carbonyl)acridine","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NNCCO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","IXIOOYYWQYTRQN-UHFFFAOYSA-N","384538",NA,"PDBC30083","674509","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-6-chloro-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","6-Chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3N=C5C=C(C=CC5=C4NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl)C","HIPRVNZZYDXAJO-UHFFFAOYSA-N","365428",NA,"PDBC30084","633048","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(2-hydroxyethyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(2-hydroxyethyl)-4-acridinecarboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","AUTMXMFUXGDCLM-UHFFFAOYSA-N","384528",NA,"PDBC30085","674499","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C5=CC=CC=C5N=C4C=C3)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","PDAQRSMJUPZFQQ-UHFFFAOYSA-N","385759",NA,"PDBC30086","677153","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","PPFMQWPCXRGGBI-UHFFFAOYSA-N","365413",NA,"PDBC30087","633033","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-2-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C5=CC=CC=C5N=C4C=C3)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","YUOBYFORPDHBTG-UHFFFAOYSA-N","385761",NA,"PDBC30088","677155","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-2-carboxamide","","C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","MJRGSCANZGBDIF-UHFFFAOYSA-N","385748",NA,"PDBC30089","677142","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-1-chloro-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[4-(Carbamimidoylsulfamoyl)anilino]-1-chloro-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C(=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)Cl)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","SJHQBDNGNBBBJR-UHFFFAOYSA-N","365418",NA,"PDBC30090","633038","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-2-acridinecarboxamide","","C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","WLGZCMOKZFERQM-UHFFFAOYSA-N","385753",NA,"PDBC30091","677147","Present"
-"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-4-acridinecarboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","BIFKEVBDXHVADK-UHFFFAOYSA-N","365406",NA,"PDBC30092","633026","Present"
-"9-(4-((5-Bromopentyl)oxy)phenyl)-10-(4-methoxyphenyl)anthracene","","","","","","","","","","","","","","","","","","","","9-(4-((5-Bromopentyl)oxy)phenyl)-10-(4-methoxyphenyl)anthracene","","COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OCCCCCBr","QSCMRUNAFBXNIL-UHFFFAOYSA-N","374569",NA,"PDBC30093","652543","Present"
-"9-(4-(2-Bromoethoxy)phenyl)-10-(4-methoxyphenyl)anthracene","","","","","","","","","","","","","","","","","","","","9-(4-(2-Bromoethoxy)phenyl)-10-(4-methoxyphenyl)anthracene","","COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OCCBr","AVSKNWGVQREKEE-UHFFFAOYSA-N","378370",NA,"PDBC30094","660667","Present"
-"9-(4-(4-(10-(4-(4-(3,6-Dimethoxy-9H-carbazol-9-yl)butoxy)phenyl)-9-anthryl)phenoxy)butyl)-3,6-dimethoxy-9H-carbazole","","","","","","","","","","","","","","","","","","","","9-[4-[4-[10-[4-[4-(3,6-Dimethoxycarbazol-9-yl)butoxy]phenyl]anthracen-9-yl]phenoxy]butyl]-3,6-dimethoxycarbazole","","COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCCCOC4=CC=C(C=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=CC=C(C=C8)OCCCCN9C1=C(C=C(C=C1)OC)C1=C9C=CC(=C1)OC","BQKSCNPRXDASGM-UHFFFAOYSA-N","374568",NA,"PDBC30095","652542","Present"
-"9-(4-(Aminosulfonyl)anilino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C5=CC=CC=C5N=C4C=C3)NC6=CC=C(C=C6)S(=O)(=O)N","IVKVIEQVZQOCLW-UHFFFAOYSA-N","385760",NA,"PDBC30096","677154","Present"
-"9-(4-(Aminosulfonyl)anilino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)N","RZOHJTYKWBUDOY-UHFFFAOYSA-N","365415",NA,"PDBC30097","633035","Present"
-"9-(4-Bromophenyl)purine-2,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","9-(4-Bromophenyl)purine-2,6-diamine;hydrochloride","","C1=CC(=CC=C1N2C=NC3=C(N=C(N=C32)N)N)Br.Cl","UTDQMERSPVSDJZ-UHFFFAOYSA-N","54605405",NA,"PDBC30098","29605","Present"
-"9-(4-Chlorobut-2-ynyl)-6-(4-chlorobut-2-ynylsulfanyl)purine","","","","","","","","","","","","","","","","","","","","9-(4-Chlorobut-2-ynyl)-6-(4-chlorobut-2-ynylsulfanyl)purine","","C1=NC2=C(C(=N1)SCC#CCCl)N=CN2CC#CCCl","BWKIPEGMFQYVQT-UHFFFAOYSA-N","60147763",NA,"PDBC30099","752369","Present"
-"9-(4-Chlorobut-2-ynyl)-6-(4-methoxyphenyl)purine","","","","","","","","","","","","","","","","","","","","9-(4-Chlorobut-2-ynyl)-6-(4-methoxyphenyl)purine","","COC1=CC=C(C=C1)C2=C3C(=NC=N2)N(C=N3)CC#CCCl","UMNKXKCAWASYHL-UHFFFAOYSA-N","60147614",NA,"PDBC30100","751821","Present"
-"9-(4-Chlorophenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","","","","","","","","","","","","","","","","","","","9-(4-Chlorophenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one","","C1C2=C(C(C3=CC4=C(C=C3O2)OCO4)C5=CC=C(C=C5)Cl)C(=O)O1","KHHRSFKKJMBBNW-UHFFFAOYSA-N","380100",NA,"PDBC30101","665498","Present"
-"9-(4-Chlorophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","","","","","","","","","","","","","","","","","","","9-(4-Chlorophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","CC1(C2C(=O)NC(=O)C1C(=O)NC2=O)C3=CC=C(C=C3)Cl","ASNBHZVKTBAQKW-UHFFFAOYSA-N","367021",NA,"PDBC30102","636348","Present"
-"9-(4-Chlorophenyl)-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","","","","","","","","","","","","","","","","","","","9-(4-Chlorophenyl)-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","C1=CC=C(C=C1)C2(C3C(=O)NC(=O)C2C(=O)NC3=O)C4=CC=C(C=C4)Cl","KZAFXXHMYFABJN-UHFFFAOYSA-N","367022",NA,"PDBC30103","636349","Present"
-"9-(4-Chlorophenyl)purine-2,6-diamine","","","","","","","","","","","","","","","","","","","","9-(4-Chlorophenyl)-9H-purine-2,6-diamine","","C1=CC(=CC=C1N2C=NC3=C(N=C(N=C32)N)N)Cl","XLDQBXDLTBHNAY-UHFFFAOYSA-N","231429",NA,"PDBC30104","27612","Present"
-"9-(4-Fluorophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","","","","","","","","","","","","","","","","","","","9-(4-Fluorophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","CC1(C2C(=O)NC(=O)C1C(=O)NC2=O)C3=CC=C(C=C3)F","SSTNYNLSWGLCDP-UHFFFAOYSA-N","367030",NA,"PDBC30105","636357","Present"
-"9-(4-Hydroxy-3,9-dihydro-[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one","","","","","","","","","","","","","","","","","","","","9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-hydroxyethyl)-6,9...","","COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCO4","KDRFYSQQLRPTPP-UHFFFAOYSA-N","50900821",NA,"PDBC30106","750718","Present"
-"9-(4-Hydroxybutyl)-3H-purin-6-one","","","","","","","","","","","","","","","","","","","","9-(4-Hydroxybutyl)-9H-purin-6-ol","","C1=NC2=C(C(=O)N1)N=CN2CCCCO","BZOSXNLDTQTFOK-UHFFFAOYSA-N","135484983",NA,"PDBC30107","627015","Present"
-"9-(4-Methoxyphenyl)-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","","","","","","","","","","","","","","","","","","","9-(4-Methoxyphenyl)-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione","","COC1=CC=C(C=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)C5=CC=CC=C5","QUGPGSDNZKWXSX-UHFFFAOYSA-N","379947",NA,"PDBC30108","665139","Present"
-"9-(4-Methoxyphenyl)-9h-purine-2,6-diamine","","","","","","","","","","","","","","","","","","","","9-(4-Methoxyphenyl)-9h-purine-2,6-diamine","","COC1=CC=C(C=C1)N2C=NC3=C(N=C(N=C32)N)N","QJNZHIBMALXZSJ-UHFFFAOYSA-N","240288",NA,"PDBC30109","46387","Present"
-"9-(4-Methylphenyl)purine-2,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","9-(4-Methylphenyl)purine-2,6-diamine;hydrochloride","","CC1=CC=C(C=C1)N2C=NC3=C(N=C(N=C32)N)N.Cl","GEAUWFXFIRNXAI-UHFFFAOYSA-N","54601764",NA,"PDBC30110","29606","Present"
-"9-(4-Nitrophenyl)sulfanylacridine","","","","","","","","","","","","","","","","","","","","9-(4-Nitrophenyl)sulfanylacridine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CC=C(C=C4)[N+](=O)[O-]","DFPBXHGVDBKLNF-UHFFFAOYSA-N","371140",NA,"PDBC30111","645144","Present"
-"9-(4-Sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","9-(4-Sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-2-carboxamide","","C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NC5=CC=C(C=C5)S(=O)(=O)N","MRGRKYHXSXVBND-UHFFFAOYSA-N","385747",NA,"PDBC30112","677141","Present"
-"9-(4-Sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","9-(4-Sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NC5=CC=C(C=C5)S(=O)(=O)N","ZWGXALUMXHXYSP-UHFFFAOYSA-N","365396",NA,"PDBC30113","633016","Present"
-"9-(5-Nitropyridin-2-yl)purin-6-amine","","","","","","","","","","","","","","","","","","","","6-Amino-9-(5'-nitropyridine)-9H-purine","","C1=CC(=NC=C1[N+](=O)[O-])N2C=NC3=C(N=CN=C32)N","JFQVQOLUJMTUKK-UHFFFAOYSA-N","389378",NA,"PDBC30114","685425","Present"
-"9-(5-o-Sulfamoylpentofuranosyl)-9h-purin-6-amine","","","","","","","","","","","","","","","","","","","","ea 68","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N","GNZLUJQJDPRUTD-UHFFFAOYSA-N","280895",NA,"PDBC30115","133114","Present"
-"9-(6-Methoxy-3,4-dihydroquinolin-1(2h)-yl)acridine","","","","","","","","","","","","","","","","","","","","9-(6-Methoxy-3,4-dihydro-2H-quinolin-1-yl)acridine","","COC1=CC2=C(C=C1)N(CCC2)C3=C4C=CC=CC4=NC5=CC=CC=C53","UHMXXWDGLRSYLJ-UHFFFAOYSA-N","221375",NA,"PDBC30116","5908","Present"
-"9-(9-Formylfluoren-9-yl)fluorene-9-carbaldehyde","","","","","","","","","","","","","","","","","","","","Raptinal;NSC 610970","","C1=CC=C2C(=C1)C3=CC=CC=C3C2(C=O)C4(C5=CC=CC=C5C6=CC=CC=C64)C=O","GLANOOJJBKXTMI-UHFFFAOYSA-N","355994",NA,"PDBC30117","610970","Present"
-"9-(9H-Carbazol-9-ylmethyl)-9H-carbazole","","","","","","","","","","","","","","","","","","","","STK747391","","C1=CC=C2C(=C1)C3=CC=CC=C3N2CN4C5=CC=CC=C5C6=CC=CC=C64","ZHENGQSAYATKAZ-UHFFFAOYSA-N","231656",NA,"PDBC30118","28136","Present"
-"9-(Benzylcarbamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","","","","","","","","","","","","","","","","","","","","9-(Benzylcarbamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)NCC6=CC=CC=C6)C)C(=O)O","IETQHIUZYMGENT-UHFFFAOYSA-N","54613426",NA,"PDBC30119","750325","Present"
-"9-(Benzyloxy)-5-tert-butyl-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-methoxyphenyl)-16-phenylmethoxy-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OCC6=CC=CC=C6)C(=O)N(C3=O)C7=CC=C(C=C7)OC","RIFJIGLRAGKKQV-UHFFFAOYSA-N","379246",NA,"PDBC30120","663660","Present"
-"9-(Benzyloxycarbonyloxymethyl)-6-(3-bromopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","9-(Benzyloxycarbonyloxymethyl)-6-(3-bromopropyl)-5,6-dih...","","COC(=O)OCC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","SJQJMQBUXDMDLU-UHFFFAOYSA-N","17755968",NA,"PDBC30121","737345","Present"
-"9-(Benzylsulfinyl)-2,7-dimethoxyacridine","","","","","","","","","","","","","","","","","","","","9-(Benzylsulfinyl)-2,7-dimethoxyacridine","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CC4=CC=CC=C4)OC","MSLAKSKHMJRNRM-UHFFFAOYSA-N","395397",NA,"PDBC30122","699933","Present"
-"9-(Benzylthio)-2,7-dimethoxyacridine","","","","","","","","","","","","","","","","","","","","9-(Benzylthio)-2,7-dimethoxyacridine","","COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCC4=CC=CC=C4)OC","XFBACNNHZDSCFW-UHFFFAOYSA-N","395396",NA,"PDBC30123","699932","Present"
-"9-(Cyclohexylmethyl)-3,6-bis(4,5-dihydro-1H-imidazol-2-yl)carbazole;hydrochloride","","","","","","","","","","","","","","","","","","","","9-(Cyclohexylmethyl)-3,6-bis(4,5-dihydro-1H-imidazol-2-yl)carbazole;hydrochloride","","C1CCC(CC1)CN2C3=C(C=C(C=C3)C4=NCCN4)C5=C2C=CC(=C5)C6=NCCN6.Cl","WAKBJUSDGJBABU-UHFFFAOYSA-N","401967",NA,"PDBC30124","715654","Present"
-"9-(Dimethylamino)-11-hydroxy-4-methoxy-12-oxo-12H-benzo[b]xanthen-6-yl acetate","","","","","","","","","","","","","","","","","","","","9-(Dimethylamino)-11-hydroxy-4-methoxy-12-oxo-12H-benzo[b]xanthen-6-yl acetate","","CC(=O)OC1=C2C(=C(C3=C1C=CC(=C3)N(C)C)O)C(=O)C4=C(O2)C(=CC=C4)OC","AJFPTLNCOCUJNV-UHFFFAOYSA-N","389283",NA,"PDBC30125","685036","Present"
-"9-(Ethylsulfinyl)-2,7-dimethoxyacridine","","","","","","","","","","","","","","","","","","","","9-Ethylsulfinyl-2,7-dimethoxy-acridine","","CCS(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC","FNWQSNYSPZQNSF-UHFFFAOYSA-N","395385",NA,"PDBC30126","699921","Present"
-"9-(Ethylsulfonyl)-2,7-dimethoxyacridine","","","","","","","","","","","","","","","","","","","","9-(Ethylsulfonyl)-2,7-dimethoxyacridine","","CCS(=O)(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC","BPXOLXOWKUYYPP-UHFFFAOYSA-N","395386",NA,"PDBC30127","699922","Present"
-"9-(Ethylthio)-1,4-dimethoxyacridine","","","","","","","","","","","","","","","","","","","","9-(Ethylthio)-1,4-dimethoxyacridine","","CCSC1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)OC","JMZRMPLYFBAQHM-UHFFFAOYSA-N","362327",NA,"PDBC30128","625986","Present"
-"9-(Ethylthio)-2,7-dimethoxyacridine","","","","","","","","","","","","","","","","","","","","BG-757","","CCSC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC","PLLQIVPARRRCRU-UHFFFAOYSA-N","395384",NA,"PDBC30129","699920","Present"
-"9-(Methoxymethyl)-1,3-bis(4-methoxyphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","","","","","","","","","","","","","","","","","","","","9-(Methoxymethyl)-1,3-bis(4-methoxyphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","","COCN1C=NC2=C1N(C(=S)N(C2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","VAXLPMOXACIEMO-UHFFFAOYSA-N","390384",NA,"PDBC30130","687726","Present"
-"9-(Methoxymethyl)-1,3-bis(4-methylphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","","","","","","","","","","","","","","","","","","","","9-(Methoxymethyl)-1,3-bis(4-methylphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one","","CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=C(C=C4)C)N=CN3COC","YZJYCHWTOZCYCC-UHFFFAOYSA-N","387934",NA,"PDBC30131","682239","Present"
-"9-(Methoxymethyl)-2-methylsulfanyl-3-phenyl-purin-6-one","","","","","","","","","","","","","","","","","","","","9-(Methoxymethyl)-2-methylsulfanyl-3-phenyl-purin-6-one","","COCN1C=NC2=C1N(C(=NC2=O)SC)C3=CC=CC=C3","ZHPPJIINAFOBOK-UHFFFAOYSA-N","387939",NA,"PDBC30132","682244","Present"
-"9-(Nitromethylene)fluorene","","","","","","","","","","","","","","","","","","","","9-(Nitromethylidene)-9H-fluorene","","C1=CC=C2C(=C1)C3=CC=CC=C3C2=C[N+](=O)[O-]","SXLZNMGEYGLGRR-UHFFFAOYSA-N","363699",NA,"PDBC30133","628814","Present"
-"9-(Phenylimino)-2-tert-butylnaphth[2,3-d]oxazol-4(9H)-one","","","","","","","","","","","","","","","","","","","","Naphth[2,3-d]oxazol-4(9H)-one, 2-(1,1-dimethylethyl)-9- ...","","CC(C)(C)C1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=CC=CC=C4C2=O","WLZDWLLUVZVUBY-UHFFFAOYSA-N","362344",NA,"PDBC30134","626029","Present"
-"9-(Propargyloxymethyl) azathoprine","","","","","","","","","","","","","","","","","","","","9-(Propargyloxymethyl) azathoprine","","CN1C=NC(=C1SC2=NC=NC3=C2N=CN3COCC#C)[N+](=O)[O-]","VCISZBHTRAJTOY-UHFFFAOYSA-N","365727",NA,"PDBC30135","633668","Present"
-"9-(p-Tolylsulfonylmethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile","","","","","","","","","","","","","","","","","","","","9-(p-Tolylsulfonylmethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile","","CC1=CC=C(C=C1)S(=O)(=O)CC2CCCN3C2=C(C4=CC=CC=C43)C#N","MNXFDFQQUUEEGI-UHFFFAOYSA-N","390161",NA,"PDBC30136","687306","Present"
-"9-.alpha.-Hydroxyparthenolide","","","","","","","","","","","","","","","","","","","","9-.alpha.-Hydroxyparthenolide","","CC1=CCCC2(C(O2)C3C(CC1O)C(=C)C(=O)O3)C","RZUCCKARTVHQBW-QGFFFSIYSA-N","54600951",NA,"PDBC30137","672136","Present"
-"9-Acetamido-10-hydroxy-20-(S)-camptothecin","","","","","","","","","","","","","","","","","","","","9-Acetamido-10-hydroxy-20-(S)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5NC(=O)C)O)N=C4C3=C2)O","BGTVYLPIJYUNCW-QFIPXVFZSA-N","44315616",NA,"PDBC30138","603077","Present"
-"9-Acetamido-6-(3-azidopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","9-Acetamido-6-(3-azidopropyl)-5,6-dihydro-3-nitro-5,11-d...","","CC(=O)NC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN=[N+]=[N-])OC)OC","PTZOHAPUGXKWTQ-UHFFFAOYSA-N","17755319",NA,"PDBC30139","737670","Present"
-"9-Acetamido-6-(3-bromopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","9-Acetamido-6-(3-bromopropyl)-5,6-dihydro-3-nitro-5,11-d...","","CC(=O)NC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCBr)OC)OC","OXZQMVSSOIXHLM-UHFFFAOYSA-N","17755222",NA,"PDBC30140","737672","Present"
-"9-Acetyl-3,3-dimethyl-4,6-dioxa-1,2,9-triazaspiro[4.4]non-1-ene","","","","","","","","","","","","","","","","","","","","9-Acetyl-3,3-dimethyl-4,6-dioxa-1,2,9-triazaspiro[4.4]non-1-ene","","CC(=O)N1CCOC12N=NC(O2)(C)C","LFUUFLXYLWLFAW-UHFFFAOYSA-N","392370",NA,"PDBC30141","692654","Present"
-"9-Acetyl-6a-hydroxy-8-methyl-7-(4-methylphenyl)-2-phenyl-3aH-pyrrolo[3,4-d]indole-1,3,4-trione","","","","","","","","","","","","","","","","","","","","9-Acetyl-6a-hydroxy-8-methyl-7-(4-methylphenyl)-2-phenyl-3aH-pyrrolo[3,4-d]indole-1,3,4-trione","","CC1=CC=C(C=C1)N2C(=C(C34C2(C=CC(=O)C3C(=O)N(C4=O)C5=CC=CC=C5)O)C(=O)C)C","TWUBEYLDOQKVQB-UHFFFAOYSA-N","405607",NA,"PDBC30142","722977","Present"
-"9-Acetyl-7-phenyl-5H-pyrazolo[1',5':1,2]pyrrolo[3,4-b]pyrazine-5,8(7H)-dione","","","","","","","","","","","","","","","","","","","","3-Acetyl-5-phenyl-5,6,9,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2,8,10-tetraene-4,7-dione","","CC(=O)C1=C2C3=NC=CN=C3C(=O)N2N(C1=O)C4=CC=CC=C4","VQQSIRLSMKELJK-UHFFFAOYSA-N","389465",NA,"PDBC30143","685675","Present"
-"9-Acetyl-9a-methoxy-1,2-dihydrocarbazol-3-one","","","","","","","","","","","","","","","","","","","","9-Acetyl-9a-methoxy-1,2-dihydrocarbazol-3-one","","CC(=O)N1C2=CC=CC=C2C3=CC(=O)CCC31OC","SNXLVUUTGRMUJK-UHFFFAOYSA-N","360066",NA,"PDBC30144","621864","Present"
-"9-Acridinamine, 7-methoxy-N-[2-[[2-(dimethylamino)ethyl]amino]ethyl]-1-nitro-","","","","","","","","","","","","","","","","","","","","9-Acridinamine, 7-methoxy-N-[2-[[2-(dimethylamino)ethyl]...","","CN(C)CCNCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","YQEYGHOCVGTTSK-UHFFFAOYSA-N","384250",NA,"PDBC30145","673796","Present"
-"9-Acridinamine, 9,10-dihydro-","","","","","","","","","","","","","","","","","","","","9-Acridinamine, 9,10-dihydro-","","C1=CC=C2C(=C1)C(C3=CC=CC=C3N2)N","QMFZCYUXVRMJKD-UHFFFAOYSA-N","370574",NA,"PDBC30146","643819","Present"
-"9-Acridinamine, N-(4-methoxyphenyl)-, monohydrochloride","","","","","","","","","","","","","","","","","","","","9-Acridinamine, N-(4-methoxyphenyl)-, monohydrochloride","","COC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl","MOOVWGYSDVQCIE-UHFFFAOYSA-N","23621357",NA,"PDBC30147","165715","Present"
-"9-Acridinamine, N-(5-hydroxypentyl)-","","","","","","","","","","","","","","","","","","","","1-pentanol, 5-(9-acridinylamino)-","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCO","LPHXZDIAAFATRN-UHFFFAOYSA-N","387996",NA,"PDBC30148","682359","Present"
-"9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-7-methoxy-1-nitro-","","","","","","","","","","","","","","","","","","","","9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-7-met...","","COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCNCCO","JZPIJWMIMBFFJU-UHFFFAOYSA-N","384249",NA,"PDBC30149","673795","Present"
-"9-Acridinamine, N-[2-[bis(2-hydroxyethyl)amino]ethyl]-7-methoxy-1-nitro-","","","","","","","","","","","","","","","","","","","","9-Acridinamine, N-[2-[bis(2-hydroxyethyl)amino]ethyl]-7-...","","COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCN(CCO)CCO","FSFCSVVEPROIAI-UHFFFAOYSA-N","384247",NA,"PDBC30150","673793","Present"
-"9-Acridinamine, N-[3-[bis(2-hydroxyethyl)amino]propyl]-7-methoxy-3-nitro-","","","","","","","","","","","","","","","","","","","","9-Acridinamine, N-[3-[bis(2-hydroxyethyl)amino]propyl]- ...","","COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NCCCN(CCO)CCO","TUHARUHHSBFVAD-UHFFFAOYSA-N","384257",NA,"PDBC30151","673803","Present"
-"9-Acridinamine, dihydrochloride","","","","","","","","","","","","","","","","","","","","antineoplastic-645805","","CNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","NCPACVQCQSZHJP-UHFFFAOYSA-N","371506",NA,"PDBC30152","645805","Present"
-"9-Allyl-2-anilino-purin-6-ol","","","","","","","","","","","","","","","","","","","","NOCAS_877468","","C=CCN1C=NC2=C1N=C(NC2=O)NC3=CC=CC=C3","XNNTZLFLHGTMNW-UHFFFAOYSA-N","135435444",NA,"PDBC30153","685819","Present"
-"9-Amino-10-methoxy-20(S)-camptothecin","","","","","","","","","","","","","","","","","","","","9-Amino-10-methoxy-20(S)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5N)OC)N=C4C3=C2)O","PIFKODMCMZLGGP-NRFANRHFSA-N","44315435",NA,"PDBC30154","603075","Present"
-"9-Amino-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one","","","","","","","","","","","","","","","","","","","","9-Amino-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one","","C1C2CC(=O)NN=C2C3=C1C=CC=C3N","JKIVSJDEQNKWOO-UHFFFAOYSA-N","362754",NA,"PDBC30155","627013","Present"
-"9-Amino-20(R)-camptothecin","","","","","","","","","","","","","","","","","","","","9-Amino-20(R)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O","FUXVKZWTXQUGMW-HXUWFJFHSA-N","6711750",NA,"PDBC30156","639173","Present"
-"9-Amino-20(S)-glycinyl camptothecin hydrochloride","","","","","","","","","","","","","","","","","","","","9-Amino-20(S)-glycinyl camptothecin hydrochloride","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)OC(=O)CN","GIRLBXKRNUXODQ-QFIPXVFZSA-N","147646627",NA,"PDBC30157","671899","Present"
-"9-Amino-20-camptothecin","","","","","","","","","","","","","","","","","","","","NSC629971","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O","FUXVKZWTXQUGMW-UHFFFAOYSA-N","131182",NA,"PDBC30158","629971","Present"
-"9-Amino-5,6-difluoro-3-oxo-3H-pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","3H-Pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid, 9-amin...","","C1=CC2=C(C=C1N)OC3=C4N2C=C(C(=O)C4=CC(=C3F)F)C(=O)O","NOZQIQAUUCNHJI-UHFFFAOYSA-N","372621",NA,"PDBC30159","648059","Present"
-"9-Amino-5-imino-5H-benzo[a]phenoxazine acetate salt","","","","","","","","","","","","","","","","","","","","Cresyl violet acetate","","CC(=O)O.C1=CC=C2C(=C1)C(=CC3=C2N=C4C=CC(=N)C=C4O3)N","ORIKHDNZZCTIAD-UHFFFAOYSA-N","135445693",NA,"PDBC30160","752338","Present"
-"9-Amino-5-methyl-N-(2-morpholin-4-ylethyl)acridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","9-Amino-5-methyl-N-(2-morpholin-4-ylethyl)acridine-4-carboxamide;hydrochloride","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN4CCOCC4)N.Cl","AGZAORVYVPNNAM-UHFFFAOYSA-N","392379",NA,"PDBC30161","692737","Present"
-"9-Amino-6-(3-aminopropyl)-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride","","","","","","","","","","","","","","","","","","","","9-Amino-6-(3-aminopropyl)-5,6-dihydro-2,3-dimethoxy-5,11...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)N)N(C2=O)CCCN)OC.Cl","PATYTGNISWRCGY-UHFFFAOYSA-N","17755513",NA,"PDBC30162","740267","Present"
-"9-Amino-6-(3-azidopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","9-Amino-6-(3-azidopropyl)-5,6-dihydro-3-nitro-5,11-dioxo...","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)N)N(C2=O)CCCN=[N+]=[N-])OC","XJGSUBISCUNULI-UHFFFAOYSA-N","17755320",NA,"PDBC30163","740033","Present"
-"9-Amino-6-chloro-2-methoxyacridine","","","","","","","","","","","","","","","","","","","","g 185","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)N","IHHSSHCBRVYGJX-UHFFFAOYSA-N","19080",NA,"PDBC30164","15300","Present"
-"9-Amino-7-(3,4,5-trimethoxyphenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile","","","","","","","","","","","","","","","","","","","","9-Amino-7-(3,4,5-trimethoxyphenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile","","COC1=CC(=CC(=C1OC)OC)C2=C(C(=C(C3=C2COC4=CC=CC=C43)C#N)N)C#N","PBMABKSVUQHTHT-UHFFFAOYSA-N","399086",NA,"PDBC30165","709502","Present"
-"9-Amino-N-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-Amino-N-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide","","C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)N","LJUDGEUGTUPLIR-UHFFFAOYSA-N","385767",NA,"PDBC30166","677161","Present"
-"9-Amino-N-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-Amino-N-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)N","LAXUPBAPADZLEF-UHFFFAOYSA-N","370660",NA,"PDBC30167","644036","Present"
-"9-Amino-N-(4-sulfamoylphenyl)acridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","9-Amino-N-(4-sulfamoylphenyl)acridine-2-carboxamide","","C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)N","AWJKPCXZDCPSTM-UHFFFAOYSA-N","385766",NA,"PDBC30168","677160","Present"
-"9-Amino-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","9-Amino-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)N","OTASDWCIGPIJIO-UHFFFAOYSA-N","370659",NA,"PDBC30169","644035","Present"
-"9-Amino-N-[2-(2-aminoethylamino)ethyl]-5-methylacridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, 9-amino-N-[2-[(2-aminoethyl)amino...","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCNCCN)N.Cl","RFLZTQNESMGWOW-UHFFFAOYSA-N","392741",NA,"PDBC30170","693545","Present"
-"9-Amino-N-[3-(2-aminoethylamino)propyl]-5-methylacridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, 9-amino-N-[3-[(2-aminoethyl)amino...","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCCNCCN)N.Cl","TXVXBUTUBLMKJN-UHFFFAOYSA-N","392737",NA,"PDBC30171","693543","Present"
-"9-Amino-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","9-Amino-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)N)C","DJISHDONRUFUKX-UHFFFAOYSA-N","370661",NA,"PDBC30172","644037","Present"
-"9-Aminocamptothecin","","","","","","","","","","","","","","","","","","","","Aminocamptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O","FUXVKZWTXQUGMW-FQEVSTJZSA-N","72402",NA,"PDBC30173","603071","Present"
-"9-Aminocaptothecin lactam","","","","","","","","","","","","","","","","","","","","9-Aminocaptothecin lactam","","CCC1(C2=C(CNC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O","YUMLWEZPEKBHLE-FQEVSTJZSA-N","146256655",NA,"PDBC30174","696881","Present"
-"9-Azido-10-methylacridinium methosulfate","","","","","","","","","","","","","","","","","","","","9-Azido-10-methylacridinium methosulfate","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)N=[N+]=[N-].COS(=O)(=O)[O-]","XLCGWGJBAVLPGZ-UHFFFAOYSA-M","147587",NA,"PDBC30175","165717","Present"
-"9-Benzoyl-4,6a-dihydroxy-8-methyl-2-phenyl-7H-pyrrolo[3,4-d]indole-1,3-dione","","","","","","","","","","","","","","","","","","","","9-Benzoyl-4,6a-dihydroxy-8-methyl-2-phenyl-7H-pyrrolo[3,4-d]indole-1,3-dione","","CC1=C(C23C(=C(C=CC2(N1)O)O)C(=O)N(C3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","QDJJBJPHGJCTRF-UHFFFAOYSA-N","54695424",NA,"PDBC30176","722978","Present"
-"9-Benzoyl-6a-hydroxy-6-methoxy-8-methyl-2-phenyl-3a,5,6,7-tetrahydropyrrolo[3,4-d]indole-1,3,4-trione","","","","","","","","","","","","","","","","","","","","9-Benzoyl-6a-hydroxy-6-methoxy-8-methyl-2-phenyl-3a,5,6,7-tetrahydropyrrolo[3,4-d]indole-1,3,4-trione","","CC1=C(C23C(C(=O)CC(C2(N1)O)OC)C(=O)N(C3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","UDZBVSRZPAIWSA-UHFFFAOYSA-N","404597",NA,"PDBC30177","720989","Present"
-"9-Benzyl-2,2,6-trimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[2-(Tert-butoxycarbonylamino)propanoylamino]-3-phenyl-propanoyl]amino]acetic acid","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)NC(=O)OC(C)(C)C","BNHLBJXRGOUOCN-UHFFFAOYSA-N","381732",NA,"PDBC30178","668592","Present"
-"9-Benzyl-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide","","","","","","","","","","","","","","","","","","","","9-Benzyl-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide","","CC1(NC2=C(C(=N1)C(=O)N)N=CN2CC3=CC=CC=C3)C","XUFDVCIWOLLPFT-UHFFFAOYSA-N","135409224",NA,"PDBC30179","670256","Present"
-"9-Benzyl-6-(benzylthio)-9H-purin-2-amine","","","","","","","","","","","","","","","","","","","","9-benzyl-6-(benzylthio)-9H-purin-2-amine","","C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)N","DNNVKRLIFZPYGL-UHFFFAOYSA-N","238161",NA,"PDBC30180","42384","Present"
-"9-Benzyl-6-chloro-8-(2-phenylethynyl)purine","","","","","","","","","","","","","","","","","","","","9-Benzyl-6-chloro-8-(2-phenylethynyl)purine","","C1=CC=C(C=C1)CN2C(=NC3=C2N=CN=C3Cl)C#CC4=CC=CC=C4","DHPCMGNWYIOGCT-UHFFFAOYSA-N","401178",NA,"PDBC30181","714379","Present"
-"9-Benzyl-6-chloro-8-ethenyl-9H-purine","","","","","","","","","","","","","","","","","","","","9-Benzyl-6-chloro-8-ethenyl-9H-purine","","C=CC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2Cl","XIHMCFSBNYRRDQ-UHFFFAOYSA-N","401179",NA,"PDBC30182","714380","Present"
-"9-Benzyl-6-methoxy-2-methyl-9H-purine","","","","","","","","","","","","","","","","","","","","9-Benzyl-6-methoxy-2-methyl-9H-purine","","CC1=NC2=C(C(=N1)OC)N=CN2CC3=CC=CC=C3","ODXMVYUQRUFXRQ-UHFFFAOYSA-N","382623",NA,"PDBC30183","670264","Present"
-"9-Benzyl-7-(2-bromoethylamino)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione","","","","","","","","","","","","","","","","","","","","9-Benzyl-7-(2-bromoethylamino)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione","","CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=O)N(C3=N2)CC4=CC=CC=C4)NCCBr","IIBNACRVAGDDII-UHFFFAOYSA-N","392196",NA,"PDBC30184","692329","Present"
-"9-Benzyl-7-(3-bromopropylamino)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione","","","","","","","","","","","","","","","","","","","","9-Benzyl-7-(3-bromopropylamino)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione","","CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=O)N(C3=N2)CC4=CC=CC=C4)NCCCBr","GOSOKXMYHCNAEK-UHFFFAOYSA-N","392197",NA,"PDBC30185","692330","Present"
-"9-Benzyl-7-bromo-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione","","","","","","","","","","","","","","","","","","","","9-Benzyl-7-bromo-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione","","CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=O)N(C3=N2)CC4=CC=CC=C4)Br","MRJUCPQTMKHNQF-UHFFFAOYSA-N","392195",NA,"PDBC30186","692328","Present"
-"9-Benzyl-8-chloro-6-(2-thienyl)-9H-purine","","","","","","","","","","","","","","","","","","","","9-Benzyl-8-chloro-6-(2-thienyl)-9H-purine","","C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2Cl)C4=CC=CS4","ZPFRIMMYEWGPAD-UHFFFAOYSA-N","401177",NA,"PDBC30187","714378","Present"
-"9-Benzyl-8-methyl-3,4-dihydro-9H-5-oxa-1,2a,9-tria za-cyclopenta[d]acenaphthylene-7-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","9-Benzyl-8-methyl-3,4-dioxo-3,4-dihydro-9H-5-oxa-1,2a,9-...","","CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C=N3)CC5=CC=CC=C5)C","NYEOJLVUQGCIPZ-UHFFFAOYSA-N","24204306",NA,"PDBC30188","731292","Present"
-"9-Benzylidene-5-phenyl-8,9-dihydro-5H,6H-[1,3]thiazolo[3,2-a]thiopyrano[4,3-d]pyrimidin-3(2H)-one","","","","","","","","","","","","","","","","","","","","(13Z)-13-Benzylidene-8-phenyl-4,11-dithia-2,7-diazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-6-one","","C1C(=CC2=CC=CC=C2)C3=C(CS1)C(N4C(=O)CSC4=N3)C5=CC=CC=C5","KJWRTGYLSMBUJR-GZTJUZNOSA-N","6302940",NA,"PDBC30189","670058","Present"
-"9-Benzyloxy-3-methyl-2-nonen-1-ol pyrophosphate","","","","","","","","","","","","","","","","","","","","9-Benzyloxy-3-methyl-2-nonen-1-ol pyrophosphate","","CC(=CCOP(=O)(O)OP(=O)(O)O)CCCCCCOCC1=CC=CC=C1.N","BEMBOPPFXJXXHO-CLNHMMGSSA-N","5473030",NA,"PDBC30190","723489","Present"
-"9-Bromo-2,3-dimethoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one","","","","","","","","","","","","","","","","","","","","Indolo[3,2-d][1]benzazepin-6(5H)-one, 9-bromo-7,12-dihyd...","","COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)Br)OC","DUZUWJBAONJCTE-UHFFFAOYSA-N","395805",NA,"PDBC30191","700693","Present"
-"9-Bromo-5,11-dimethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate","","","","","","","","","","","","","","","","","","","","9-Bromo-5,11-dimethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate","","CC1=C2C(=O)C=CNC2=C(C3=C1NC4=C3C=C(C=C4)Br)C.CS(=O)(=O)O","JEVQEOOLGMZDOE-UHFFFAOYSA-N","374580",NA,"PDBC30192","652554","Present"
-"9-Bromo-5-tert-butyl-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","16-Bromo-9-tert-butyl-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)Br)C(=O)N(C3=O)C6=CC=C(C=C6)OC","UIIBCMDUIKMZEK-UHFFFAOYSA-N","379245",NA,"PDBC30193","663659","Present"
-"9-Bromo-6-(2-furoyl)-6H-indolo[2,3-b]quinoxaline","","","","","","","","","","","","","","","","","","","","9-Bromo-6-(2-furoyl)-6H-indolo[2,3-b]quinoxaline","","C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)C(=O)C5=CC=CO5","ILWLLMWKPUHVMJ-UHFFFAOYSA-N","394877",NA,"PDBC30194","698968","Present"
-"9-Bromo-6-(3-Chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","9-Bromo-6-(3-Chloropropyl)-5,6-dihydro -5,11-dioxo-11H-i...","","C1=CC=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)Br)N(C2=O)CCCCl","XYPBWLXFMFUWGT-UHFFFAOYSA-N","45027881",NA,"PDBC30195","732660","Present"
-"9-Bromo-6-(4-bromophenyl)sulfonyl-indolo[3,2-b]quinoxaline","","","","","","","","","","","","","","","","","","","","9-Bromo-6-(4-bromophenyl)sulfonyl-indolo[3,2-b]quinoxaline","","C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)S(=O)(=O)C5=CC=C(C=C5)Br","RRWBGGIOMXSDOP-UHFFFAOYSA-N","394880",NA,"PDBC30196","698971","Present"
-"9-Bromo-6-(4-nitrophenyl)sulfonyl-indolo[3,2-b]quinoxaline","","","","","","","","","","","","","","","","","","","","9-Bromo-6-(4-nitrophenyl)sulfonyl-indolo[2,3-b]quinoxaline","","C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]","VRCCRKAOXNHONY-UHFFFAOYSA-N","394882",NA,"PDBC30197","698973","Present"
-"9-Bromo-6-(p-tolylsulfonyl)indolo[3,2-b]quinoxaline","","","","","","","","","","","","","","","","","","","","9-Bromo-6-(p-tolylsulfonyl)indolo[3,2-b]quinoxaline","","CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","FRTBKOYUODVOMA-UHFFFAOYSA-N","394881",NA,"PDBC30198","698972","Present"
-"9-Bromo-6-(phenylsulfonyl)-6H-indolo[2,3-b]quinoxaline","","","","","","","","","","","","","","","","","","","","9-Bromo-6-(phenylsulfonyl)-6H-indolo[2,3-b]quinoxaline","","C1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","GWJFVXRSAPKLCU-UHFFFAOYSA-N","394879",NA,"PDBC30199","698970","Present"
-"9-Bromonoscapine","","","","","","","","","","","","","","","","","","","","NSC733397","","CN1CCC2=C(C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2Br)OCO5)OC","PLMUFLAOTAHIIZ-SJORKVTESA-N","10255081",NA,"PDBC30200","733397","Present"
-"9-Butyl-1,2,3,4,5,6,7,8-octahydroacridin-4-ol","","","","","","","","","","","","","","","","","","","","9-Butyl-1,2,3,4,5,6,7,8-octahydro-4-acridinol","","CCCCC1=C2CCCC(C2=NC3=C1CCCC3)O","KASONYUJHMHLCL-UHFFFAOYSA-N","377556",NA,"PDBC30201","659123","Present"
-"9-Butyl-10-oxido-1,2,3,4,5,6,7,8-octahydroacridin-10-ium","","","","","","","","","","","","","","","","","","","","9-Butyl-10-oxido-1,2,3,4,5,6,7,8-octahydroacridin-10-ium","","CCCCC1=C2CCCCC2=[N+](C3=C1CCCC3)[O-]","YCUNAVCEFWRALJ-UHFFFAOYSA-N","373774",NA,"PDBC30202","650738","Present"
-"9-Butyl-2,3,5,6,7,8-hexahydro-4(1H)-acridinone","","","","","","","","","","","","","","","","","","","","9-Butyl-2,3,5,6,7,8-hexahydro-4(1H)-acridinone","","CCCCC1=C2CCCC(=O)C2=NC3=C1CCCC3","QBPDEDBUTGNVEL-UHFFFAOYSA-N","373775",NA,"PDBC30203","650739","Present"
-"9-Butyl-2,3,7,8-tetrahydro-4,5(1H,6H)-acridinedione","","","","","","","","","","","","","","","","","","","","9-Butyl-2,3,7,8-tetrahydro-4,5(1H,6H)-acridinedione","","CCCCC1=C2CCCC(=O)C2=NC3=C1CCCC3=O","OQDVKMHJTCWQAV-UHFFFAOYSA-N","373784",NA,"PDBC30204","650747","Present"
-"9-Butyl-7-hydroxy-6-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one","","","","","","","","","","","","","","","","","","","","9-Butyl-7-hydroxy-6-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one","","CCCCC1C=CN2C3=C1C(=C(C(=C3OC2=O)OC(C)C)C)O","SUKGMMWJKYXMQI-UHFFFAOYSA-N","394550",NA,"PDBC30205","698095","Present"
-"9-Butyramidojulolidine","","","","","","","","","","","","","","","","","","","","N-[?]ylbutanamide","","CCCC(=O)NC1=CC2=C3C(=C1)CCCN3CCC2","AVUGJDOFAYYYMI-UHFFFAOYSA-N","293445",NA,"PDBC30206","160040","Present"
-"9-Chlor-2-methyl-oxazolo(4,5-c)quinolin-4-one","","","","","","","","","","","","","","","","","","","","9-Chlor-2-methyl-oxazolo(4,5-c)quinolin-4-one","","CC1=NC2=C(O1)C3=C(C=CC(=C3)Cl)NC2=O","GDGJGZYQFLSNFO-UHFFFAOYSA-N","387485",NA,"PDBC30207","681286","Present"
-"9-Chlor-2-phenyl-oxazolo(4,5-c)quinolin-4-one","","","","","","","","","","","","","","","","","","","","9-Chlor-2-phenyl-oxazolo(4,5-c)quinolin-4-one","","C1=CC=C(C=C1)C2=NC3=C(O2)C4=C(C=CC(=C4)Cl)NC3=O","JHFNLDNGMOPDPD-UHFFFAOYSA-N","387486",NA,"PDBC30208","681287","Present"
-"9-Chloro-10,11-methylenedioxycamptothecin","","","","","","","","","","","","","","","","","","","","9-Chloro-10,11-methylenedioxy-20(S)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C6=C(C=C5N=C4C3=C2)OCO6)Cl)O","AQSRKNJFNKOMDG-NRFANRHFSA-N","468671",NA,"PDBC30209","673591","Present"
-"9-Chloro-10b-phenyl-10bH-2,1-(epiminoethano)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione","","","","","","","","","","","","","","","","","","","","2-Chloro-12a-phenyl-5,10,11,12a-tetrahydro-6H,9H-imidazo...","","C1CN2C(=N1)NN3C2(C4=C(C=CC(=C4)Cl)NC3=S)C5=CC=CC=C5","XBYKCGBSZBIWRO-UHFFFAOYSA-N","23624998",NA,"PDBC30210","740812","Present"
-"9-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","9-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CN1C2=C(C=CC(=C2)Cl)C3=C1C4=C(C=C3)C(=O)C=CC4=O","SPWIYWDVWJKLLV-UHFFFAOYSA-N","376316",NA,"PDBC30211","657030","Present"
-"9-Chloro-12,13-dimethoxy-6-methyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one","","","","","","","","","","","","","","","","","","","","9-Chloro-12,13-dimethoxy-6-methyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one","","CC1=CC2=C3C(=C1)C(=NC4=C3C(=CC(=C4OC)OC)NC2=O)Cl","ZUTMMPTZGWORKY-UHFFFAOYSA-N","5470921",NA,"PDBC30212","706235","Present"
-"9-Chloro-12,13-dimethoxy-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one","","","","","","","","","","","","","","","","","","","","9-Chloro-12,13-dimethoxy-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one","","COC1=C(C2=C3C(=C1)NC(=O)C4=C3C(=CC(=C4)C5=CC=CC=C5)C(=N2)Cl)OC","LDAFJPGSDGLYRP-UHFFFAOYSA-N","5470922",NA,"PDBC30213","706236","Present"
-"9-Chloro-2,3,4,6,6a,7-hexahydro-1H-naphtho[2,3-a]indolizin-5-ium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","9-Chloro-2,3,4,6,6a,7-hexahydro-1h-naphtho[3,2-a]indolizin-5-ium; trifluoromethanesulfonate","","C1CC[N+]2=C(C1)C3=CC4=C(CC3C2)C=C(C=C4)Cl.C(F)(F)(F)S(=O)(=O)[O-]","LSKIDFDDJAVUSN-UHFFFAOYSA-M","397949",NA,"PDBC30214","707026","Present"
-"9-Chloro-2,3,5,11-tetramethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate","","","","","","","","","","","","","","","","","","","","9-Chloro-2,3,5,11-tetramethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate","","CC1=C(NC2=C(C1=O)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)Cl)C)C.CS(=O)(=O)O","PLFIIXGXJSDAFW-UHFFFAOYSA-N","374595",NA,"PDBC30215","652565","Present"
-"9-Chloro-2-methylellipticinium acetate, hydrate","","","","","","","","","","","","","","","","","","","","9-Chloro-2-methylellipticinium acetate, hydrate","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)Cl)C)C.CC(=O)[O-]","TUDWARPSAGMNMB-UHFFFAOYSA-N","10383530",NA,"PDBC30216","632855","Present"
-"9-Chloro-5,11-dimethyl-2-propyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate","","","","","","","","","","","","","","","","","","","","9-Chloro-5,11-dimethyl-2-propyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate","","CCCC1=CC(=O)C2=C(N1)C(=C3C4=C(C=CC(=C4)Cl)NC3=C2C)C.CS(=O)(=O)O","AMFLHDULWYVAFF-UHFFFAOYSA-N","499465",NA,"PDBC30217","679259","Present"
-"9-Chloro-5-methyl-2,3-dihydro-1H-pyrido[3,2,1-kl]phenothiazine 7,7-dioxide","","","","","","","","","","","","","","","","","","","","5-Chloro-11-methyl-8lambda6-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene 8,8-dioxide","","CC1=CC2=C3C(=C1)S(=O)(=O)C4=C(N3CCC2)C=CC(=C4)Cl","AXAQFSMEKJXMGV-UHFFFAOYSA-N","380119",NA,"PDBC30218","665521","Present"
-"9-Chloro-6-(2-(dimethylamino)ethoxy)-11H-indeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","9-chloro-6-(2-(dimethylamino)ethoxy)-11H-indeno[1,2-c]qu...","","CN(C)CCOC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)Cl","VHBGIGFXPRGJIP-UHFFFAOYSA-N","54672982",NA,"PDBC30219","754243","Present"
-"9-Chloro-6-[3-(dimethylamino)propoxy]-3-methoxyindeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","9-chloro-6-(3-(dimethylamino)propoxy)-3-methoxy-11H-inde...","","CN(C)CCCOC1=NC2=C(C=CC(=C2)OC)C3=C1C4=C(C3=O)C=C(C=C4)Cl","RFCWXVNPUZVJPV-UHFFFAOYSA-N","155807312",NA,"PDBC30220","781403","Present"
-"9-Chloro-6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one","","","","","","","","","","","","","","","","","","","","9-Chloro-6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one","","CC1(C=CC2=C(O1)C=C(C3=C2NC4=C(C3=O)C=C(C=C4)Cl)O)C","DODZZNFJJYOJMN-UHFFFAOYSA-N","5468057",NA,"PDBC30221","663408","Present"
-"9-Chloro-8-methyl-1,3,6,6-pentoxo-3H-1,2-dihydro[1,2,4,6]t hiatriazino[3,4-c][1,2,4]benzothiadiazine","","","","","","","","","","","","","","","","","","","","9-Chloro-8-methyl-1,3,3,6,6-pentoxo-3H-1,2-dihydro[1,2,4...","","CC1=CC2=C(C=C1Cl)N3C(=NS(=O)(=O)NC3=O)NS2(=O)=O","AECPHZFYIDTMLR-UHFFFAOYSA-N","24206085",NA,"PDBC30222","740022","Present"
-"9-Chloro-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine","","","","","","","","","","","","","","","","","","","","9-Chloro-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine","","C1=CC=C2C(=C1)C(=N)N3C4=C(C=CC(=C4)Cl)OC3=N2.Cl","UHHTZOKLJGDKAS-UHFFFAOYSA-N","382430",NA,"PDBC30223","669997","Present"
-"9-Chlorobenzo[c]quinolizin-11-ium-6-amine;chloride","","","","","","","","","","","","","","","","","","","","NSC679796","","C1=CC=[N+]2C(=C1)C=C(C3=C2C=C(C=C3)Cl)N.[Cl-]","IOZQBQXKJSJERM-UHFFFAOYSA-N","386894",NA,"PDBC30224","679796","Present"
-"9-Chlorobenzo[c]quinolizin-11-ium-6-ol;chloride","","","","","","","","","","","","","","","","","","","","NSC679798","","C1=CC=[N+]2C(=C1)C=C(C3=C2C=C(C=C3)Cl)O.[Cl-]","ABQYIFUUNFDKKD-UHFFFAOYSA-N","386898",NA,"PDBC30225","679798","Present"
-"9-Chlorocamptothecin","","","","","","","","","","","","","","","","","","","","antineoplastic-652525","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)Cl)O","MXIBGRFZFZXAKG-FQEVSTJZSA-N","10156768",NA,"PDBC30226","652525","Present"
-"9-Chloroellipticine","","","","","","","","","","","","","","","","","","","","9-chloroellipticine","","CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)Cl)C","FNYVRIAEQQSFQU-UHFFFAOYSA-N","300858",NA,"PDBC30227","176326","Present"
-"9-Chloronaphtho[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione","","","","","","","","","","","","","","","","","","","","Naphth[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione, 9-chl...","","C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=C(C=CC4=N3)Cl","VZYGUWNBWRRBMX-UHFFFAOYSA-N","19610848",NA,"PDBC30228","742544","Present"
-"9-Chlorophenanthrene","","","","","","","","","","","","","","","","","","","","9-Chlorophenanthrene","","C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Cl","CJWHZQNUDAJJSB-UHFFFAOYSA-N","13694",NA,"PDBC30229","8552","Present"
-"9-DEAZAADENOSINE","","","","","","","","","","","","","","","","","","","","9-DEAZAADENOSINE","","C1=C(C2=C(N1)C(=NC=N2)N)C3C(C(C(O3)CO)O)O.Cl","ABQJRAXGQPSYFZ-UHFFFAOYSA-N","5351324",NA,"PDBC30230","352890","Present"
-"9-Deoxy-sibiromycin","","","","","","","","","","","","","","","","","","","","9-deoxy-sibiromycin","","CC=CC1=CN2C(C1)C=NC3=C(C2=O)C=C(C(=C3)C)OC4C(C(C(C(O4)C)NC)(C)O)O","FLYYWBJOHHJDAU-USXWEJKASA-N","60148374",NA,"PDBC30231","754310","Present"
-"9-Diazo-10-oxophenanthrene","","","","","","","","","","","","","","","","","","","",".alpha.-Diazophenanthrone","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2[N+]#N)[O-]","GEOQDCBHAVUVST-UHFFFAOYSA-N","139041",NA,"PDBC30232","407389","Present"
-"9-Diethylaminoethoxy-20(RS)-camptothecin hydrochloride","","","","","","","","","","","","","","","","","","","","9-Diethylaminoethoxy-20(RS)-camptothecin hydrochloride","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OCCN(CC)CC)N=C4C3=C2)O","OXWXREDKWIAILB-UHFFFAOYSA-N","76412286",NA,"PDBC30233","621686","Present"
-"9-Ethoxy-2,3,8-trimethoxybenzo[c]phenanthridine","","","","","","","","","","","","","","","","","","","","9-Ethoxy-2,3,8-trimethoxybenzo[c]phenanthridine","","CCOC1=C(C=C2C=NC3=C(C2=C1)C=CC4=CC(=C(C=C43)OC)OC)OC","RSHWJQCEUMDEJZ-UHFFFAOYSA-N","371231",NA,"PDBC30234","645289","Present"
-"9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;acetate","","","","","","","","","","","","","","","","","","","","9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate","","CCOC1=CC2=C(C=C1)NC3=C2C(=C4C=[N+](C=CC4=C3C)C)C.CC(=O)[O-]","VSRZRDQHIOJNFU-UHFFFAOYSA-N","373614",NA,"PDBC30235","650263","Present"
-"9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;iodide","","","","","","","","","","","","","","","","","","","","9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide","","CCOC1=CC2=C(C=C1)NC3=C2C(=C4C=[N+](C=CC4=C3C)C)C.[I-]","UPNQHZJZSOKBEN-UHFFFAOYSA-N","373612",NA,"PDBC30236","650262","Present"
-"9-Ethoxy-2-[(2-fluorophenyl)methyl]benzo[f]benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","9-Ethoxy-2-(2-fluorobenzyl)-4H-naphtho[2,3-d]imidazol-4-one","","CCOC1=C2C(=NC(=N2)CC3=CC=CC=C3F)C(=O)C4=CC=CC=C41","STLJYPWKERQMJJ-UHFFFAOYSA-N","371181",NA,"PDBC30237","645213","Present"
-"9-Ethoxy-2-[1-(2-fluorophenyl)propyl]benzo[f]benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","9-Ethoxy-2-[1-(2-fluorophenyl)propyl]-4H-naphtho[2,3-d]imidazol-4-one","","CCC(C1=CC=CC=C1F)C2=NC3=C(C4=CC=CC=C4C(=O)C3=N2)OCC","ALYWAMQRXVVHOD-UHFFFAOYSA-N","371182",NA,"PDBC30238","645214","Present"
-"9-Ethoxy-2-[1-(4-fluorophenyl)propyl]benzo[f]benzimidazol-4-one","","","","","","","","","","","","","","","","","","","","9-Ethoxy-2-[1-(4-fluorophenyl)propyl]-4H-naphtho[2,3-d]imidazol-4-one","","CCC(C1=CC=C(C=C1)F)C2=NC3=C(C4=CC=CC=C4C(=O)C3=N2)OCC","JAOWQLNBEWEPQB-UHFFFAOYSA-N","371183",NA,"PDBC30239","645215","Present"
-"9-Ethoxyellipticine","","","","","","","","","","","","","","","","","","","","9-Ethoxyellipticine","","CCOC1=CC2=C(C=C1)NC3=C2C(=C4C=NC=CC4=C3C)C","OZIZDISMPMNONO-UHFFFAOYSA-N","373611",NA,"PDBC30240","650261","Present"
-"9-Ethyl-3-methyl-12-phenyl-9,10-dihydropyrazolo[4,3-c][1,2,4]triazolo[4,3-a][1,5]benzodiazepine","","","","","","","","","","","","","","","","","","","","12-Ethyl-3-methyl-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,7,10,13,15-heptaene","","CCN1C2=CC=CC=C2N3C(=NN=C3C4=C(NN=C41)C5=CC=CC=C5)C","RCHBGWDCBBTEBV-UHFFFAOYSA-N","383802",NA,"PDBC30241","672305","Present"
-"9-Ethylsulfanyl-12-phenyl-15-oxa-7,12-diazatetracyclo[7.5.1.01,7.010,14]pentadecane-8,11,13-trione","","","","","","","","","","","","","","","","","","","","9-Ethylsulfanyl-12-phenyl-15-oxa-7,12-diazatetracyclo[7.5.1.01,7.010,14]pentadecane-8,11,13-trione","","CCSC12C3C(C(=O)N(C3=O)C4=CC=CC=C4)C5(O1)CCCCCN5C2=O","KEAQETBYJBOAGZ-UHFFFAOYSA-N","397445",NA,"PDBC30242","705303","Present"
-"9-Fluoro-11-(4-dimethylaminobenzyliden)-5-methyl-11H-indolo[1,2-b]indazolium trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","9-Fluoro-11-(4-dimethylaminobenzyliden)-5-methyl-11H-ind...","","C[N+]1=C2C=CC(=CC2=C3N1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C)F.C(F)(F)(F)S(=O)(=O)[O-]","CBDQTTWGEIJTKZ-UHFFFAOYSA-M","24202853",NA,"PDBC30243","726091","Present"
-"9-Fluoro-2-(4-methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione","","","","","","","","","","","","","","","","","","","","16-Fluoro-4-(4-methoxyphenyl)-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)F)C7=CC=CC=C7","WNALTOKJDUZWSB-UHFFFAOYSA-N","390914",NA,"PDBC30244","689135","Present"
-"9-Glycinamido-20(RS)-camptothecin hydrochloride","","","","","","","","","","","","","","","","","","","","9-Glycinamido-20(RS)-camptothecin hydrochloride","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5NC(=O)CN)N=C4C3=C2)O","DTOULAIVSVXJDX-UHFFFAOYSA-N","368336",NA,"PDBC30245","619232","Present"
-"9-Glycineamido-20(S)-camptothecin.HCl","","","","","","","","","","","","","","","","","","","","NSC639174","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5NC(=O)CN)N=C4C3=C2)O.Cl","LYLOFHMTQZERLJ-FTBISJDPSA-N","3246719",NA,"PDBC30246","639174","Present"
-"9-Hydrazino-9-oxononanoic acid","","","","","","","","","","","","","","","","","","","","9-Hydrazino-9-oxononanoic acid","","C(CCCC(=O)NN)CCCC(=O)O","JJBTZOWLFBHYGR-UHFFFAOYSA-N","393118",NA,"PDBC30247","694518","Present"
-"9-Hydrazinoacridinhydrochlorid","","","","","","","","","","","","","","","","","","","","9-Hydrazinoacridinhydrochlorid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NN.Cl","VANXQMULYAQKPH-UHFFFAOYSA-N","54609366",NA,"PDBC30248","14977","Present"
-"9-Hydroxy-10-nitrocamptothecin","","","","","","","","","","","","","","","","","","","","9-Nitro-10-hydroxy-20(S)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5[N+](=O)[O-])O)N=C4C3=C2)O","DTZABKRGTMUGCV-FQEVSTJZSA-N","190791",NA,"PDBC30249","603076","Present"
-"9-Hydroxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-one","","","","","","","","","","","","","","","","","","","","9-Hydroxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-one","","C1C2C3=CC=CC=C3C(=O)C(N1)(C4=CC=CC=C24)O","MBTMGXPHRYRFMP-UHFFFAOYSA-N","434351",NA,"PDBC30250","349001","Present"
-"9-Hydroxy-2-(.beta.-diethylaminoethyl)ellipticinium acetate","","","","","","","","","","","","","","","","","","","","9-Hydroxy-2-(.beta.-diethylaminoethyl)ellipticinium acetate","","CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C.CC(=O)[O-]","WHMNPIDOCVCZKA-UHFFFAOYSA-N","3086131",NA,"PDBC30251","311152","Present"
-"9-Hydroxy-2-methyl-1H,8H,11H-12-oxa-2,3a,7b-triazabenzo[e]acephenanthrylene-1,3,8,11(2H)-tetrone","","","","","","","","","","","","","","","","","","","","17-Hydroxy-10-methyl-14-oxa-1,8,10-triazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,12(20),13(18),16-hexaene-9,11,15,19-tetrone","","CN1C(=O)C2=C3N(C4=CC=CC=C4N3C1=O)C(=O)C5=C2OC(=O)C=C5O","XJOJGJMOBLYBGG-UHFFFAOYSA-N","54676249",NA,"PDBC30252","631385","Present"
-"9-Hydroxy-5(3-phenylpropyl)-5H-indeno[1,2-b]indol-10-one","","","","","","","","","","","","","","","","","","","","9-Hydroxy-5(3-phenylpropyl)-5H-indeno[1,2-b]indol-10-one","","C1=CC=C(C=C1)CCCN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O","GZTRCXAQUUGAOR-UHFFFAOYSA-N","24204800",NA,"PDBC30253","732980","Present"
-"9-Hydroxy-5,11-dimethyl-5H-quinindoline","","","","","","","","","","","","","","","","","","","","5,11-Dimethyl-5H-indolo[2,3-b]quinolin-9-ol","","CC1=C2C3=C(C=CC(=C3)O)N=C2N(C4=CC=CC=C14)C","JOSXKULEUUHSGS-UHFFFAOYSA-N","378355",NA,"PDBC30254","660437","Present"
-"9-Hydroxy-5-(4-methoxybenzyl)-5H-indeno[1,2-b]indol-10-one","","","","","","","","","","","","","","","","","","","","9-Hydroxy-5-(4-methoxybenzyl)-5H-indeno[1,2-b]indol-10-one","","COC1=CC=C(C=C1)CN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O","IRXVDPURZSJEEU-UHFFFAOYSA-N","24205266",NA,"PDBC30255","734794","Present"
-"9-Hydroxy-5-phenyl-5H-indeno[1,2-b]indol-10-one","","","","","","","","","","","","","","","","","","","","9-Hydroxy-5-phenyl-5H-indeno[1,2-b]indol-10-one","","C1=CC=C(C=C1)N2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O","NIWYKJYQHIINEX-UHFFFAOYSA-N","24205267",NA,"PDBC30256","734795","Present"
-"9-Hydroxy-5-propyl-5H-indeno[1,2-b]indol-10-one","","","","","","","","","","","","","","","","","","","","9-Hydroxy-5-propyl-5H-indeno[1,2-b]indol-10-one","","CCCN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O","NMWCXWMDMBFQNU-UHFFFAOYSA-N","24205265",NA,"PDBC30257","734793","Present"
-"9-Hydroxy-5-pyridin-2-ylmethyl-5H-indeno[1,2-b]indol-10-one","","","","","","","","","","","","","","","","","","","","9-Hydroxy-5-pyridin-2-ylmethyl-5H-indeno[1,2-b]indol-10-one","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(N3CC5=CC=CC=N5)C=CC=C4O","BPACCTZKYKDRMT-UHFFFAOYSA-N","24204671",NA,"PDBC30258","732431","Present"
-"9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","","","","","","","","","","","","","","","","","","","","9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid","","CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4C(CC5)C(=C)C=O)C(=O)O)C)C)C","OTNMMCVDNMEIGO-UHFFFAOYSA-N","22149181",NA,"PDBC30259","750324","Present"
-"9-Hydroxy-6,8-dimethoxy-3,3-dimethyl-2,4-dihydroanthracen-1-one","","","","","","","","","","","","","","","","","","","","9-Hydroxy-6,8-dimethoxy-3,3-dimethyl-2,4-dihydroanthracen-1-one","","CC1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)OC)OC)C","XNTADAJQVRPSJC-UHFFFAOYSA-N","388439",NA,"PDBC30260","683365","Present"
-"9-Hydroxy-6-methyl-2,3,8-trimethoxy-11H-indeno(1,2-c)isoquinolinium chloride","","","","","","","","","","","","","","","","","","","","11H-Indeno[1,2-c]isoquinolinium, 9-hydroxy-2,3,8-trimeth...","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C3)O)OC)OC)OC.[Cl-]","HTBVZYVJIWBTRF-UHFFFAOYSA-N","130333",NA,"PDBC30261","355457","Present"
-"9-Hydroxy-7,8-dimethoxy-5-(1-naphthyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione","","","","","","","","","","","","","","","","","","","","9-Hydroxy-7,8-dimethoxy-5-(1-naphthyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione","","COC1=C(C(=C2C(=C1)C(N3C(C2=O)CCC3=O)C4=CC=CC5=CC=CC=C54)O)OC","WZXGHJPWPNTBTF-UHFFFAOYSA-N","393638",NA,"PDBC30262","695849","Present"
-"9-Hydroxy-7,8-dimethoxy-5-(1-naphthyl)-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one","","","","","","","","","","","","","","","","","","","","9-Hydroxy-7,8-dimethoxy-5-naphthalen-1-yl-1,5,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-3(2h)-one","","COC1=C(C(=C2CC3CCC(=O)N3C(C2=C1)C4=CC=CC5=CC=CC=C54)O)OC","VJAJEAOAEAKPMX-UHFFFAOYSA-N","393647",NA,"PDBC30263","695858","Present"
-"9-Hydroxy-7,8-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione","","","","","","","","","","","","","","","","","","","","9-hydroxy-7,8-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione","","COC1=CC(=CC(=C1OC)OC)C2C3=CC(=C(C(=C3C(=O)C4N2C(=O)CC4)O)OC)OC","RLOKLHMSZGDOPT-UHFFFAOYSA-N","393645",NA,"PDBC30264","695856","Present"
-"9-Hydroxyanthracene-1,4-dione","","","","","","","","","","","","","","","","","","","","1,4-Anthracenedione, 5-hydroxy-","","C1=CC=C2C(=C1)C=C3C(=O)C=CC(=O)C3=C2O","WRNLLFFUMFNHNF-UHFFFAOYSA-N","358258",NA,"PDBC30265","618201","Present"
-"9-Hydroxyphenylfluoron","","","","","","","","","","","","","","","","","","","","3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(o-hydroxy-phenyl)-","","C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)O","GRWQEXZZWRVXDZ-UHFFFAOYSA-N","72722",NA,"PDBC30266","9037","Present"
-"9-Isobutyl-6-(((2-methyl-1-naphthyl)methyl)thio)-9H-purin-2-amine","","","","","","","","","","","","","","","","","","","","9-Isobutyl-6-(((2-methyl-1-naphthyl)methyl)thio)-9H-purin-2-amine","","CC1=C(C2=CC=CC=C2C=C1)CSC3=NC(=NC4=C3N=CN4CC(C)C)N","KUIRJFQCMORRRL-UHFFFAOYSA-N","244996",NA,"PDBC30267","56452","Present"
-"9-Isobutyl-8-methyl-3,4-dihydro-9H-5-oxa-1,2a,9-tr iaza-cyclopental[d]acenaphthylene-7-carboxylic acid ethyl ester","","","","","","","","","","","","","","","","","","","","9-Isobutyl-8-methyl-3,4-dioxo-3,4-dihydro-9H-5-oxa-1,2a,...","","CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C=N3)CC(C)C)C","WRRVOAFTLVHYFU-UHFFFAOYSA-N","24204305",NA,"PDBC30268","731291","Present"
-"9-Methoxy-1,7-dimethylphenanthrene-3,6-diol","","","","","","","","","","","","","","","","","","","","9-Methoxy-1,7-dimethylphenanthrene-3,6-diol","","CC1=CC(=CC2=C3C=C(C(=CC3=C(C=C12)OC)C)O)O","AODFHPPZKRRCIU-UHFFFAOYSA-N","390663",NA,"PDBC30269","688275","Present"
-"9-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione","","","","","","","","","","","","","","","","","","","","9-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione","","CN1C2=C(C=CC(=C2)OC)C3=C1C4=C(C=C3)C(=O)C=CC4=O","SMDCXWRYSGNAAH-UHFFFAOYSA-N","374506",NA,"PDBC30270","652257","Present"
-"9-Methoxy-2,2,10-trimethyl-2H,5H-pyrano[3,2-c]chromen-5-one","","","","","","","","","","","","","","","","","","","","9-Methoxy-2,2,10-trimethyl-2H,5H-pyrano[3,2-c]chromen-5-one","","CC1=C(C=CC2=C1C3=C(C=CC(O3)(C)C)C(=O)O2)OC","IZKMNNMHTFGPQW-UHFFFAOYSA-N","380486",NA,"PDBC30271","666101","Present"
-"9-Methoxy-2,5,11-trimethyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole","","","","","","","","","","","","","","","","","","","","Ellipticine, 1,2,3,4-tetrahydro-9-methoxy-2-methyl-","","CC1=C2CCN(CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)C","CBTLFIIMNHKZFR-UHFFFAOYSA-N","264931",NA,"PDBC30272","100594","Present"
-"9-Methoxy-2,6-dimethylellipticinium iodide","","","","","","","","","","","","","","","","","","","","9-Methoxy-2,6-dimethylellipticinium iodide","","CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=C3C=C(C=C4)OC)C)C)C.[I-]","FCYDLHSTLJWDAF-UHFFFAOYSA-M","24193683",NA,"PDBC30273","155694","Present"
-"9-Methoxy-2-[(benzoyloxy)methyl]-5,3-b]carbazolium iodide","","","","","","","","","","","","","","","","","","","","9-Methoxy-2-[(benzoyloxy)methyl]-5,11-dimethyl- 6H-pyrid...","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)COC(=O)C5=CC=CC=C5.[I-]","NCXKRMXHCQKIJU-UHFFFAOYSA-N","365242",NA,"PDBC30274","632620","Present"
-"9-Methoxy-2-[(propionyloxy)methyl]-5,3-b]carbazolium iodide","","","","","","","","","","","","","","","","","","","","9-Methoxy-2-[(propionyloxy)methyl]-5,11-dimethyl- 6H-pyr...","","CCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]","GVSXXZRSKQCGJU-UHFFFAOYSA-N","365244",NA,"PDBC30275","632621","Present"
-"9-Methoxy-2-methyl-3h-benzo[f]chromen-3-one","","","","","","","","","","","","","","","","","","","","9-Methoxy-2-methyl-3h-benzo[f]chromen-3-one","","CC1=CC2=C(C=CC3=C2C=C(C=C3)OC)OC1=O","GCMWRZRNFGLGQA-UHFFFAOYSA-N","231850",NA,"PDBC30276","28618","Present"
-"9-Methoxy-2-phenyl-6H-pyrido[2,1-c][1,4]benzoxazin-8-one","","","","","","","","","","","","","","","","","","","","9-Methoxy-2-phenylpyrido[2,1-c][1,4]benzoxazin-8(6h)-one","","COC1=CN2C(=CC1=O)COC3=C2C=C(C=C3)C4=CC=CC=C4","AUDBNYXYTXJPHP-UHFFFAOYSA-N","404766",NA,"PDBC30277","721256","Present"
-"9-Methoxy-4,4-dimethyl-1-phenylmethoxy-3,5,8,10-tetraoxatricyclo[5.2.2.02,6]undecane","","","","","","","","","","","","","","","","","","","","9-Methoxy-4,4-dimethyl-1-phenylmethoxy-3,5,8,10-tetraoxatricyclo[5.2.2.02,6]undecane","","CC1(OC2C3COC(C2O1)(C(O3)OC)OCC4=CC=CC=C4)C","SBEWAOCFMZWMSQ-UHFFFAOYSA-N","388913",NA,"PDBC30278","684149","Present"
-"9-Methoxy-5-oxo-5,10-dihydrobenzo[b][1,8]naphthyridine-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","9-Methoxy-5-oxo-5,10-dihydrobenzo[b][1,8]naphthyridine-6-carboxylic acid","","COC1=C2C(=C(C=C1)C(=O)O)C(=O)C3=C(N2)N=CC=C3","IPSZGNMMICLXDC-UHFFFAOYSA-N","362335",NA,"PDBC30279","625994","Present"
-"9-Methoxy-6,7-dihydrobenzo[h]tetrazolo[1,5-a]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","5-Methoxy-14,15,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,15-heptaene-12-carboxamide","","COC1=CC2=C(C=C1)C3=C(CC2)C=C(C4=NN=NN34)C(=O)N","WQZOIYUPVFLNQK-UHFFFAOYSA-N","397894",NA,"PDBC30280","706809","Present"
-"9-Methoxy-6-(2-methoxyanilino)indeno[1,2-c]quinolin-11-one","","","","","","","","","","","","","","","","","","","","9-Methoxy-6-(2-methoxyanilino)indeno[1,2-c]quinolin-11-one","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3NC5=CC=CC=C5OC","WGVFBXNSGVLCPT-UHFFFAOYSA-N","24205581",NA,"PDBC30281","736190","Present"
-"9-Methoxy-6-(3-morpholin-4-ylpropyl)-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-9-methoxy-6-(3-morpholino-1-propyl)-3-nitro-...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCOCC5.Cl","OGCVCYXSNQNGPK-UHFFFAOYSA-N","17755737",NA,"PDBC30282","740505","Present"
-"9-Methoxy-6-(3-morpholin-4-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-9-methoxy-6-(3-morpholino-1-propyl)-5,11-dio...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN5CCOCC5.Cl","UPUOWNCVODXIQM-UHFFFAOYSA-N","17755858",NA,"PDBC30283","740646","Present"
-"9-Methoxy-6-[4-(dimethylaminoacetyl)piperazino]-11H-indeno[1,2-c]quinoline-11-one","","","","","","","","","","","","","","","","","","","","9-Methoxy-6-[4-(dimethylaminoacetyl)piperazino]-11H-indeno[1,2-c]quinoline-11-one","","CN(C)CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC","RBBSVHUIPGZMHB-UHFFFAOYSA-N","24205989",NA,"PDBC30284","737609","Present"
-"9-Methoxy-6-[4-[2-(dimethylamino)ethylaminoacetyl]piperazino]-11H-indeno[1,2-c]quinoline-11-one","","","","","","","","","","","","","","","","","","","","9-Methoxy-6-[4-[2-(dimethylamino)ethylaminoacetyl]piperazino]-11H-indeno[1,2-c]quinoline-11-one","","CN(C)CCNCC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC","PMUCSJCBCXSQLR-UHFFFAOYSA-N","24205990",NA,"PDBC30285","737610","Present"
-"9-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene","","","","","","","","","","","","","","","","","","","","9-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene","","COC1=CC2=C(C=C1)C3COC4=CC=CC=C4C3O2","ISNRMYJISDGWTH-UHFFFAOYSA-N","391072",NA,"PDBC30286","689606","Present"
-"9-Methoxy-N-(2,3,4-trifluorophenyl)-11-(2,3,4-trifluorophenyl)iminoindeno[1,2-c]quinolin-6-amine","","","","","","","","","","","","","","","","","","","","9-Methoxy-N-(2,3,4-trifluorophenyl)-11-(2,3,4-trifluorophenyl)iminoindeno[1,2-c]quinolin-6-amine","","COC1=CC2=C(C=C1)C3=C(C2=NC4=C(C(=C(C=C4)F)F)F)C5=CC=CC=C5N=C3NC6=C(C(=C(C=C6)F)F)F","ODWFMOXMFKYNDS-UHFFFAOYSA-N","24205222",NA,"PDBC30287","734640","Present"
-"9-Methoxycamptothecin","","","","","","","","","","","","","","","","","","","","NSC176323","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OC)N=C4C3=C2)O","XVMZDZFTCKLZTF-NRFANRHFSA-N","123617",NA,"PDBC30288","176323","Present"
-"9-Methoxyellipticine","","","","","","","","","","","","","","","","","","","","methoxyelliptione","","CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C","BKRMCDAOAQWNTG-UHFFFAOYSA-N","72512",NA,"PDBC30289","69187","Present"
-"9-Methoxyjulolidine","","","","","","","","","","","","","","","","","","","","9-Methoxyjulolidine","","COC1=CC2=C3C(=C1)CCCN3CCC2","XFGXXDZMUXGJKA-UHFFFAOYSA-N","201623",NA,"PDBC30290","659200","Present"
-"9-Methyl-1-(1-methyl-1H-pyrrol-2-yl)-9H-carbazole-3,4-dicarboxylic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","9-Methyl-1-(1-methyl-1H-pyrrol-2-yl)-9H-carbazole-3,4-dicarboxylic acid dimethyl ester","","CN1C=CC=C1C2=CC(=C(C3=C2N(C4=CC=CC=C43)C)C(=O)OC)C(=O)OC","FOJKTOULWDGGGW-UHFFFAOYSA-N","359066",NA,"PDBC30291","619533","Present"
-"9-Methyl-11-oxo-N-(1,3-thiazol-2-yl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","","","","","","","","","","","","","","","","","","","9-Methyl-11-oxo-N-(1,3-thiazol-2-yl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","CC12CC(C(C(=O)N1)C(=O)NC3=NC=CS3)C4=CC=CC=C4O2","RORFIKIEDJVZJB-UHFFFAOYSA-N","397580",NA,"PDBC30292","705900","Present"
-"9-Methyl-11h-isoindolo[2,1-a]benzimidazol-11-one","","","","","","","","","","","","","","","","","","","","9-Methyl-11h-isoindolo[2,1-a]benzimidazol-11-one","","CC1=C2C(=CC=C1)N=C3N2C(=O)C4=CC=CC=C43","HYFACUNFKHMBOA-UHFFFAOYSA-N","377706",NA,"PDBC30293","659297","Present"
-"9-Methyl-12H-benzo[a]phenothiazine 7,7-dioxide","","","","","","","","","","","","","","","","","","","","9-Methyl-12H-benzo[a]phenothiazine 7,7-dioxide","","CC1=CC2=C(C=C1)NC3=C(S2(=O)=O)C=CC4=CC=CC=C43","QFSBRDSMFVBRBP-UHFFFAOYSA-N","251360",NA,"PDBC30294","71685","Present"
-"9-Methyl-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3,5,7,10,12,14,16,18-nonaene-11-carbonitrile","","","","","","","","","","","","","","","","","","","","9-Methyl-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3,5,7,10,12,14,16,18-nonaene-11-carbonitrile","","CN1C2=CC=CC=C2N3C1=C(C4=NC5=CC=CC=C5N=C43)C#N","SXBCXXISUQUIMY-UHFFFAOYSA-N","375332",NA,"PDBC30295","654906","Present"
-"9-Methyl-2-(1-methyl-1H-indol-3-yl)-9H-carbazole","","","","","","","","","","","","","","","","","","","","9-Methyl-2-(1-methyl-1H-indol-3-yl)-9H-carbazole","","CN1C=C(C2=CC=CC=C21)C3=CC4=C(C=C3)C5=CC=CC=C5N4C","BDOGIKCYHCKIKI-UHFFFAOYSA-N","371272",NA,"PDBC30296","645331","Present"
-"9-Methyl-2-[4-(1-piperidyl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one","","","","","","","","","","","","","","","","","","","","9-Methyl-2-[4-(1-piperidyl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one","","CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCCCC4","YVZBAVVPVSFSCE-UHFFFAOYSA-N","365676",NA,"PDBC30297","633529","Present"
-"9-Methyl-2-[4-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one","","","","","","","","","","","","","","","","","","","","9-Methyl-2-[4-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one","","CN1C2=C(CCN(C2)CCCCN3CCC4=C(C3=O)N(C5=CC=CC=C45)C)C6=CC=CC=C61","ITTVONNXYCIBME-UHFFFAOYSA-N","365679",NA,"PDBC30298","633532","Present"
-"9-Methyl-3-(2-oxo-2h-chromen-3-yl)-2-oxo-2h,5h-pyrano[3,2-c]chromen-5-yl acetate","","","","","","","","","","","","","","","","","","","","[9-Methyl-2-oxo-3-(2-oxochromen-3-yl)-5H-pyrano[3,2-c]chromen-5-yl] acetate","","CC1=CC2=C(C=C1)OC(C3=C2OC(=O)C(=C3)C4=CC5=CC=CC=C5OC4=O)OC(=O)C","QKQVLEROWQTNDA-UHFFFAOYSA-N","24204079",NA,"PDBC30299","730556","Present"
-"9-Methyl-3-phenyl-9,9a-dihydro-3aH-isoxazolo[4,5-b][1,4]benzothiazine","","","","","","","","","","","","","","","","","","","","9-Methyl-3-phenyl-9,9a-dihydro-3aH-isoxazolo[4,5-b][1,4]benzothiazine","","CN1C2C(C(=NO2)C3=CC=CC=C3)SC4=CC=CC=C41","KXRDYSHDFHGPEV-UHFFFAOYSA-N","353038",NA,"PDBC30300","600037","Present"
-"9-Methyl-4-(1-methylindol-2-yl)-1,2,3,4-tetrahydrocarbazole","","","","","","","","","","","","","","","","","","","","9-Methyl-4-(1-methylindol-2-yl)-1,2,3,4-tetrahydrocarbazole","","CN1C2=C(C(CCC2)C3=CC4=CC=CC=C4N3C)C5=CC=CC=C51","KYLCCIGFJWPEHU-UHFFFAOYSA-N","372678",NA,"PDBC30301","648211","Present"
-"9-Methyl-5-(4-methyl-1-piperazinyl)-N,N-dipropylimidazo[1,2-a][1,8]naphthyridine-6-carboxamide","","","","","","","","","","","","","","","","","","","","9-Methyl-5-(4-methyl-1-piperazinyl)-N,N-dipropylimidazo[1,2-a][1,8]naphthyridine-6-carboxamide","","CCCN(CCC)C(=O)C1=C(C2=C(N=CC=C2)N3C1=NC=C3C)N4CCN(CC4)C","GMDGCIWQQCLCEH-UHFFFAOYSA-N","383770",NA,"PDBC30302","672214","Present"
-"9-Methyl-7-(nitromethyl)-1,4-dioxaspiro[4.5]decane","","","","","","","","","","","","","","","","","","","","9-Methyl-7-(nitromethyl)-1,4-dioxaspiro[4.5]decane","","CC1CC(CC2(C1)OCCO2)C[N+](=O)[O-]","LWQRTEGTTCEEFE-UHFFFAOYSA-N","359232",NA,"PDBC30303","619941","Present"
-"9-Methyl-8,10,11,21-tetrazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(14),2,4,6,9,11,15,17,19-nonaene","","","","","","","","","","","","","","","","","","","","9-Methyl-8,10,11,21-tetrazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(14),2,4,6,9,11,15,17,19-nonaene","","CC1=NN=C2N1C3=CC=CC=C3C4=C(C2)C5=CC=CC=C5N4","GCHJWNGATAXMSO-UHFFFAOYSA-N","383783",NA,"PDBC30304","672230","Present"
-"9-Methyl-8-phenyl-11-thia-9-azatricyclo[6.2.1.01,6]undecan-10-one","","","","","","","","","","","","","","","","","","","","9-Methyl-8-phenyl-11-thia-9-azatricyclo[6.2.1.01,6]undecan-10-one","","CN1C(=O)C23CCCCC2CC1(S3)C4=CC=CC=C4","RNLVEIJHXQIWAI-UHFFFAOYSA-N","397456",NA,"PDBC30305","705314","Present"
-"9-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol","","","","","","","","","","","","","","","","","","","","9-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol","","CN1C2=CC=CC=C2C3=C1NC(=O)NC3=O","DHIHIHAQJLLCCB-UHFFFAOYSA-N","387238",NA,"PDBC30306","680813","Present"
-"9-Methyl-n-propyl-9h-purin-6-amine","","","","","","","","","","","","","","","","","","","","9-Methyl-N-propylpurin-6-amine","","CCCNC1=C2C(=NC=N1)N(C=N2)C","KGVDZSITWBPXTJ-UHFFFAOYSA-N","221109",NA,"PDBC30307","4955","Present"
-"9-Methylisonoracronycin","","","","","","","","","","","","","","","","","","","","9-Methylisonoracronycin","","CC1=CC2=C(C=C1)C(=O)C3=C(C4=C(C=C3N2C)OC(C=C4)(C)C)O","QRAZNGDWFTZHAL-UHFFFAOYSA-N","378825",NA,"PDBC30308","662143","Present"
-"9-Methylnaphtho[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione","","","","","","","","","","","","","","","","","","","","Naphth[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione, 9-met...","","CC1=CN2C(=NC3=C2C(=O)C(=O)C4=CC=CC=C43)C=C1","CKBXCZFOKKJSQY-UHFFFAOYSA-N","15813981",NA,"PDBC30309","742543","Present"
-"9-N(N'-Bis-chloroethyl-N'-1,2-diamino ethyl) 2-methoxy acridine dihydrochloride","","","","","","","","","","","","","","","","","","","","9-N(N'-bis-chloroethyl-N'-1,2-diamino ethyl) 2-methoxy a...","","COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCN(CCCl)CCCl.Cl","VZKJZKHVMSROLI-UHFFFAOYSA-N","363534",NA,"PDBC30310","628497","Present"
-"9-N(N'-Chloroethyl-N'-ethyl-1,2-diaminoethyl) 2-methoxyacridine dihydrochloride","","","","","","","","","","","","","","","","","","","","9-N(N'-chloroethyl-N'-ethyl-1,2-diaminoethyl) 2-methoxya...","","CCN(CCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","FFANABCHSHCIBL-UHFFFAOYSA-N","363294",NA,"PDBC30311","628114","Present"
-"9-N(N'-Chloroethyl-N'-ethyl-1,5-diaminopentyl)2-methoxy acridine dihydrochloride","","","","","","","","","","","","","","","","","","","","9-N(N'-chloroethyl-N'-ethyl-1,5-diaminopentyl)2-methoxy ...","","CCN(CCCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","YUMWESPEMWTXCI-UHFFFAOYSA-N","364656",NA,"PDBC30312","631199","Present"
-"9-N(N'-Chloroethyl-N'-methyl-1,2-diaminoethyl) 2 methoxyacridine dihydrochloride","","","","","","","","","","","","","","","","","","","","9-N(N'-chloroethyl-N'-methyl-1,2-diaminoethyl) 2 methoxy...","","CN(CCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","JOFUHIIGPYBWPF-UHFFFAOYSA-N","363295",NA,"PDBC30313","628115","Present"
-"9-N(N'-Chloroethyl-N'-methyl-1,4-diaminobutyl) 2-methoxy acridine dihydrochloride","","","","","","","","","","","","","","","","","","","","9-N(N'-chloroethyl-N'-methyl-1,4-diaminobutyl) 2-methoxy...","","CN(CCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","KYKXHUUWDMKXGS-UHFFFAOYSA-N","363536",NA,"PDBC30314","628498","Present"
-"9-N-(N'-Bis-chloroethyl-N-1,4-diaminobutyl)2-methoxyacridine-dihydrochloride","","","","","","","","","","","","","","","","","","","","9-N-(N'-bis-chloroethyl-N-1,4-diaminobutyl)2-methoxyacri...","","COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCN(CCCl)CCCl.Cl","YVWRGOMOEQUYTB-UHFFFAOYSA-N","366819",NA,"PDBC30315","635591","Present"
-"9-N-(N'-Bis-chloroethyl-N-1,5-diaminopentyl)-2-methoxyacridine dihydrochloride","","","","","","","","","","","","","","","","","","","","9-N-(N'-bis-chloroethyl-N-1,5-diaminopentyl)-2-methoxy a...","","COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCCN(CCCl)CCCl.Cl","YYVDHCIORLGSGC-UHFFFAOYSA-N","367421",NA,"PDBC30316","637140","Present"
-"9-N-(N'-Bis-chloroethyl-N-1,6-diaminohexyl)-2-methoxyacridine dihydrochloride","","","","","","","","","","","","","","","","","","","","9-N-(N'-Bis-chloroethyl-N-1,6-diaminohexyl)-2- methoxyac...","","COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCCCN(CCCl)CCCl.Cl","KONWNHRGXQVVDZ-UHFFFAOYSA-N","363887",NA,"PDBC30317","629266","Present"
-"9-N-(N'-Chloroethyl-N'-1, dihydrochloride","","","","","","","","","","","","","","","","","","","","9-N-(N'-chloroethyl-N'-1,6-diaminohexyl) 2-methoxyacridi...","","CN(CCCCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","JCFOTJWSJNVBLG-UHFFFAOYSA-N","365734",NA,"PDBC30318","633685","Present"
-"9-N-(N'-Chloroethyl-N'-ethyl-1,4-diamino-butyl)2-methoxy acridine dihydrochloride","","","","","","","","","","","","","","","","","","","","9-N-(N'-chloroethyl-N'-ethyl-1,4-diamino-butyl)2-methoxy...","","CCN(CCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","IUYGRRZDUIAIQJ-UHFFFAOYSA-N","364652",NA,"PDBC30319","631197","Present"
-"9-Nitro-10-methoxy-20(S)-camptothecin","","","","","","","","","","","","","","","","","","","","9-Nitro-10-methoxy-20(S)-camptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5[N+](=O)[O-])OC)N=C4C3=C2)O","OYYBCAZAGJZTCD-NRFANRHFSA-N","9549071",NA,"PDBC30320","603074","Present"
-"9-Nitro-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","9-Nitro-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile","","C1=CC2=C(C=C1C(F)(F)F)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N)N2","HEJZOCHMLCBRJM-UHFFFAOYSA-N","391669",NA,"PDBC30321","691211","Present"
-"9-Nitro-11-oxo-2-(trifluoromethyl)-[1,3]benzothiazolo[3,2-b]isoquinoline-6-carbonitrile","","","","","","","","","","","","","","","","","","","","9-Nitro-11-oxo-2-(trifluoromethyl)isoquinolino[3,2-b][1,3]benzothiazole-6-carbonitrile","","C1=CC2=C(C=C1C(F)(F)F)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N)S2","SXFYPFFQFJKEKK-UHFFFAOYSA-N","395231",NA,"PDBC30322","699706","Present"
-"9-Nitro-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","6-Nitro-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid","","C1CC2=C(C=CC3=C2C(=C(O3)C(=O)O)C1)[N+](=O)[O-]","MYYIPSBHCWZHEN-UHFFFAOYSA-N","360480",NA,"PDBC30323","622614","Present"
-"9-Nitrobenzo[b][1,6]naphthyridine-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","9-Nitrobenzo[b][1,6]naphthyridine-6-carboxylic acid","","C1=CC(=C2C=C3C=NC=CC3=NC2=C1C(=O)O)[N+](=O)[O-]","XJQUAJBNMDPNCH-UHFFFAOYSA-N","383234",NA,"PDBC30324","671349","Present"
-"9-Nitrosocarbazole","","","","","","","","","","","","","","","","","","","","N-Nitrosocarbazole","","C1=CC=C2C(=C1)C3=CC=CC=C3N2N=O","XPKSVCWBMBPUPE-UHFFFAOYSA-N","17743",NA,"PDBC30325","6280","Present"
-"9-O-Demethylhomolycorine","","","","","","","","","","","","","","","","","","","","9-O-Demethylhomolycorine","","CN1CCC2=CCC3C(C21)C4=CC(=C(C=C4C(=O)O3)O)OC","VLDOBKJPRUQEEC-FVQBIDKESA-N","388787",NA,"PDBC30326","683872","Present"
-"9-Oxa-3,4-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11,13,15,17-heptaene","","","","","","","","","","","","","","","","","","","","9-Oxa-3,4-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11,13,15,17-heptaene","","C1COC2=C(C=CC3=CC=CC=C32)C4=C1C=NN4","PHKMOBUCVYSAGG-UHFFFAOYSA-N","360370",NA,"PDBC30327","622431","Present"
-"9-Oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1alpha-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl(1s)-9-oxo-2,3-dihydro-1h-pyrrolo[5,1-b]quinazoline-1-carboxylate","","COC(=O)C1CCC2=NC3=CC=CC=C3C(=O)N12","FNEYIMUNHUFXQO-JTQLQIEISA-N","397067",NA,"PDBC30328","704374","Present"
-"9-Oxo-2,3-diphenyl-10H-acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","9-Oxo-2,3-diphenyl-10H-acridine-4-carboxamide","","C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C(=O)C4=CC=CC=C4N3)C(=O)N)C5=CC=CC=C5","FXFYQDVEEFEZDV-UHFFFAOYSA-N","364127",NA,"PDBC30329","629797","Present"
-"9-Oxo-9H-thioxanthene-3-carboxamide 10,10-dioxide","","","","","","","","","","","","","","","","","","","","9-Oxo-9H-thioxanthene-3-carboxamide10,10-dioxide","","C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)N","NECFGXHWUOZZSE-UHFFFAOYSA-N","390891",NA,"PDBC30330","689002","Present"
-"9-Pentyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","","","","","","","","","","","","","","","","","","","9-Pentyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","CCCCCC1C2C(=O)NC(=O)C1C(=O)NC2=O","DODAXCAKNXTCLD-UHFFFAOYSA-N","367029",NA,"PDBC30331","636356","Present"
-"9-Phenoxyacridine","","","","","","","","","","","","","","","","","","","","Acridine, 9-phenoxy-","","C1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42","MFCLDPQGJMEEBE-UHFFFAOYSA-N","100640",NA,"PDBC30332","337974","Present"
-"9-Phenoxyellipticine","","","","","","","","","","","","","","","","","","","","9-Phenoxyellipticine","","CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC5=CC=CC=C5)C","KWBOFSPIWPBYEG-UHFFFAOYSA-N","373619",NA,"PDBC30333","650267","Present"
-"9-Phenyl-2-(2-pyridinylamino)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one","","","","","","","","","","","","","","","","","","","","9-Phenyl-2-(2-pyridinylamino)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one","","C1C2=NC3=CC=CC=C3C(=C2C(=O)N1NC4=CC=CC=N4)C5=CC=CC=C5","IHVCHYSBJJENRE-UHFFFAOYSA-N","372627",NA,"PDBC30334","648072","Present"
-"9-Phenyl-4a,9,9a,10-tetrahydro-1,4-anthracenedione","","","","","","","","","","","","","","","","","","","","9-Phenyl-4a,9,9a,10-tetrahydro-1,4-anthracenedione","","C1C2C(C(C3=CC=CC=C31)C4=CC=CC=C4)C(=O)C=CC2=O","QNBAWRLRUSCAMO-UHFFFAOYSA-N","363873",NA,"PDBC30335","629164","Present"
-"9-Phenyl-9-(1H-pyrrol-3-yl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","","","","","","","","","","","","","","","","","","","9-Phenyl-9-(1H-pyrrol-3-yl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone","","C1=CC=C(C=C1)C2(C3C(=O)NC(=O)C2C(=O)NC3=O)C4=CNC=C4","TWHFTNITACZCCD-UHFFFAOYSA-N","367026",NA,"PDBC30336","636353","Present"
-"9-Phenyl-9-phosphabicyclo[4.2.1]nona-2,4,7-triene","","","","","","","","","","","","","","","","","","","","9-Phenyl-9-phosphabicyclo[4.2.1]nona-2,4,7-triene","","C1=CC=C(C=C1)P2C3C=CC=CC2C=C3","VMJOBMHRAPELBO-UHFFFAOYSA-N","386462",NA,"PDBC30337","678491","Present"
-"9-Phenyl-9h-purine-2,6-diamine","","","","","","","","","","","","","","","","","","","","NCIMech_000118","","C1=CC=C(C=C1)N2C=NC3=C(N=C(N=C32)N)N","FWVWGDOXXJFICO-UHFFFAOYSA-N","231430",NA,"PDBC30338","27613","Present"
-"9-Phenylfuro[3,4-b]quinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","9-Phenylfuro[3,4-b]quinoline-1,3-dione","","C1=CC=C(C=C1)C2=C3C(=NC4=CC=CC=C42)C(=O)OC3=O","YGMDAMKEDDXTNJ-UHFFFAOYSA-N","363562",NA,"PDBC30339","628526","Present"
-"9-Phenylpurine-2,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC29603","","C1=CC=C(C=C1)N2C=NC3=C(N=C(N=C32)N)N.Cl","WSGHSKKNGGRUBT-UHFFFAOYSA-N","54609373",NA,"PDBC30340","29603","Present"
-"9-Spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-naphthalene]-1'-ylacridine","","","","","","","","","","","","","","","","","","","","9-Spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-naphthalene]-1'-ylacridine","","C1CC2(CC3=C1C=CC=C3C4=C5C=CC=CC5=NC6=CC=CC=C64)OCCO2","XBVXJUKNZXNVRB-UHFFFAOYSA-N","395726",NA,"PDBC30341","700525","Present"
-"9-Succinamido-20(RS)-camptothecin, sodium salt","","","","","","","","","","","","","","","","","","","","9-Succinamido-20(RS)-camptothecin, sodium salt","","","","",NA,"PDBC30342","620258","Present"
-"9-Tert-butyl-16-methoxy-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-16-methoxy-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OC)C(=O)N(C3=O)C6=CC=C(C=C6)OC","KQVANQKWTJFGRI-UHFFFAOYSA-N","373635",NA,"PDBC30343","650355","Present"
-"9-Tert-butyl-4-(2-methoxy-4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(2-methoxy-4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=C(C=C(C=C6)[N+](=O)[O-])OC","KJUKQSBCDHJAIR-UHFFFAOYSA-N","381761",NA,"PDBC30344","668833","Present"
-"9-Tert-butyl-4-(2-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(2-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6[N+](=O)[O-]","SCFFICSANODMCT-UHFFFAOYSA-N","381760",NA,"PDBC30345","668832","Present"
-"9-Tert-butyl-4-(3-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(3-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=CC=C6)[N+](=O)[O-]","VXTVSKBDSNWWFW-UHFFFAOYSA-N","395262",NA,"PDBC30346","699740","Present"
-"9-Tert-butyl-4-(4-methoxyphenyl)-16-nitro-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-methoxyphenyl)-16-nitro-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)[N+](=O)[O-])C(=O)N(C3=O)C6=CC=C(C=C6)OC","DGKFVZWKJNAMFW-UHFFFAOYSA-N","376308",NA,"PDBC30347","657023","Present"
-"9-Tert-butyl-4-(4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)[N+](=O)[O-]","DZQLBFSYEPOYJZ-UHFFFAOYSA-N","381785",NA,"PDBC30348","668851","Present"
-"9-Tert-butyl-4-(9,10-dioxoanthracen-2-yl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","","","","","","","","","","","","","","","","","","","tert-butyl-(9,10-dioxo-2-anthryl)[?]dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC7=C(C=C6)C(=O)C8=CC=CC=C8C7=O","CCBWYYKVKJXQCW-UHFFFAOYSA-N","379247",NA,"PDBC30349","663661","Present"
-"9-Tert-butyl-4-methyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-4lambda4-telluratricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-methyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-4lambda4-telluratricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene","","CC(C)(C)C1=CC2=C3C(=C1)C(O[Te]3(OC2(C(F)(F)F)C(F)(F)F)C)(C(F)(F)F)C(F)(F)F","VBQHBFFAWQHHOW-UHFFFAOYSA-N","371283",NA,"PDBC30350","645360","Present"
-"9-Thia-2,3,4,5,11-pentazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one","","","","","","","","","","","","","","","","","","","","9-Thia-2,3,4,5,11-pentazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one","","C1C2C3=NN=NN3C4=CC=CC=C4C(=O)N2CS1","GGTVZZNFFNNZHY-UHFFFAOYSA-N","388505",NA,"PDBC30351","683490","Present"
-"9-Thiabicyclo[3.3.1]nonane-2,6-dione","","","","","","","","","","","","","","","","","","","","9-Thiabicyclo[3.3.1]nonane-2,6-dione","","C1CC(=O)C2CCC(=O)C1S2","ZFSYGTMUGOONON-UHFFFAOYSA-N","394470",NA,"PDBC30352","697943","Present"
-"9-Thio-5,10-dideazafolic acid","","","","","","","","","","","","","","","","","","","","9-Thio-5,10-dideazafolic acid","","C1=CC(=CC=C1CSC2=CC3=C(N=C2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","DCYDHFXMHVUOJO-UHFFFAOYSA-N","135426732",NA,"PDBC30353","713077","Present"
-"9-[(2E)-2-(4-Chlorophenyl)-2-hydroxyiminoethoxy]chromeno[3,4-b]chromene-6,12-dione","","","","","","","","","","","","","","","","","","","","9-[(2E)-2-(4-Chlorophenyl)-2-hydroxyiminoethoxy]chromeno[3,4-b]chromene-6,12-dione","","C1=CC=C2C(=C1)C3=C(C(=O)O2)OC4=C(C3=O)C=CC(=C4)OCC(=NO)C5=CC=C(C=C5)Cl","JZRBAKFQJKBJKQ-ITYLOYPMSA-N","9572588",NA,"PDBC30354","721045","Present"
-"9-[(4-Nitro-2-methylphenyl)thio]acridine","","","","","","","","","","","","","","","","","","","","9-[(2-Methyl-4-nitrophenyl)sulfanyl]acridine","","CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=CC=CC3=NC4=CC=CC=C42","XWCVMPHRGQINTD-UHFFFAOYSA-N","371162",NA,"PDBC30355","645163","Present"
-"9-[(4-Nitrophenyl)methylsulfanyl]acridin-3-amine","","","","","","","","","","","","","","","","","","","","3-Acridineamine, 9-[[(4-nitrophenyl)methyl]thio]-","","C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)SCC4=CC=C(C=C4)[N+](=O)[O-]","AVIAVVISMHVVAC-UHFFFAOYSA-N","371147",NA,"PDBC30356","645151","Present"
-"9-[(4-Nitrophenyl)methylsulfanyl]acridine","","","","","","","","","","","","","","","","","","","","9-[(4-Nitrophenyl)methylsulfanyl]acridine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SCC4=CC=C(C=C4)[N+](=O)[O-]","XRDHPTAGFMXWFV-UHFFFAOYSA-N","395398",NA,"PDBC30357","699934","Present"
-"9-[(5-Nitro-2-pyridyl)sulfanyl]acridine","","","","","","","","","","","","","","","","","","","","9-[(5-Nitro-2-pyridyl)sulfanyl]acridine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=NC=C(C=C4)[N+](=O)[O-]","XEKOLQDJUMNOGB-UHFFFAOYSA-N","353206",NA,"PDBC30358","600758","Present"
-"9-[(6-Nitro-3-pyridyl)sulfanyl]acridine","","","","","","","","","","","","","","","","","","","","9-[(6-Nitro-3-pyridyl)sulfanyl]acridine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CN=C(C=C4)[N+](=O)[O-]","QTKORYOEJIXOSL-UHFFFAOYSA-N","353415",NA,"PDBC30359","601518","Present"
-"9-[(E)-2,3-Dibromo-4-chlorobut-2-enyl]-6-methoxypurine","","","","","","","","","","","","","","","","","","","","9-[(E)-2,3-Dibromo-4-chlorobut-2-enyl]-6-methoxypurine","","COC1=NC=NC2=C1N=CN2CC(=C(CCl)Br)Br","VGOHKQDSXBLUFR-VOTSOKGWSA-N","60147870",NA,"PDBC30360","752707","Present"
-"9-[(Z)-Bromoiodomethylidene]-9,10-dihydrophenanthrene-10-one","","","","","","","","","","","","","","","","","","","","9-[(Z)-Bromoiodomethylidene]-9,10-dihydrophenanthrene-10...","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=C(Br)I","LCNOYWWCZYMTFN-SQFISAMPSA-N","3005079",NA,"PDBC30361","670789","Present"
-"9-[2,2-Bis(phenylsulfanyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-one","","","","","","","","","","","","","","","","","","","","9-[2,2-Bis(phenylsulfanyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-one","","C1CC2(CC(C1=O)CC(SC3=CC=CC=C3)SC4=CC=CC=C4)OCCO2","YDCZXBQZJYNXQQ-UHFFFAOYSA-N","394588",NA,"PDBC30362","698168","Present"
-"9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one","","","","","","","","","","","","","","","","","","","","9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one","","CC1=CC=C(N1C2=CC=CC=C2C3C=CN4C5=C3C(=C(C(=C5OC4=O)OC(C)C)OC(C)C)O)C","UGEGFQOQXXVKQD-UHFFFAOYSA-N","389261",NA,"PDBC30363","685014","Present"
-"9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-methoxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one","","","","","","","","","","","","","","","","","","","","9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-methoxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one","","CC1=CC=C(N1C2=CC=CC=C2C3C=CN4C5=C3C(=C(C(=C5OC4=O)OC(C)C)OC(C)C)OC)C","SQDBJFZSESMJDJ-UHFFFAOYSA-N","389262",NA,"PDBC30364","685015","Present"
-"9-[2-(2-Pyrrolidin-1-ylethoxy)ethyl]-1,2,3,4-tetrahydrocarbazole","","","","","","","","","","","","","","","","","","","","9-[2-(2-Pyrrolidin-1-ylethoxy)ethyl]-1,2,3,4-tetrahydrocarbazole","","C1CCC2=C(C1)C3=CC=CC=C3N2CCOCCN4CCCC4","XZNMTJWNOCWEPU-UHFFFAOYSA-N","382632",NA,"PDBC30365","670273","Present"
-"9-[2-(3,4-Dimethoxyphenyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one","","","","","","","","","","","","","","","","","","","","9-[2-(3,4-Dimethoxyphenyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one","","COC1=C(C=C(C=C1)CCN2CC3=C(C=CC4=C3OC(=O)C=C4)OC2)OC","WPBXJNNEXGBFMS-UHFFFAOYSA-N","291302",NA,"PDBC30366","156319","Present"
-"9-[2-(Benzenesulfinyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-one","","","","","","","","","","","","","","","","","","","","9-[2-(Benzenesulfinyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-one","","C1CC2(CC(C1=O)CCS(=O)C3=CC=CC=C3)OCCO2","LQCLCMHZLROSCH-UHFFFAOYSA-N","394593",NA,"PDBC30367","698173","Present"
-"9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-1H-purin-6-one;propan-2-one","","","","","","","","","","","","","","","","","","","","9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-1H-purin-6-one;propan-2-one","","CC(=O)C.C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)F","XZWITDBHXYQIOF-UHFFFAOYSA-N","135509484",NA,"PDBC30368","95947","Present"
-"9-[3-(2-Hydroxyethylamino)propyl]-14-methoxy-4,9,12-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione","","","","","","","","","","","","","","","","","","","","6-(3-((2-hydroxyethyl)amino)propyl)-9-methoxy-5H-pyrido[...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=CN=C4)C(=O)N3CCCNCCO)N=C1","KMHWJWLEIZCOJO-UHFFFAOYSA-N","155807554",NA,"PDBC30369","780895","Present"
-"9-[3-(2-Nitroamidazol-1-yl)propyl]amino-1-nitroacridine.HCl","","","","","","","","","","","","","","","","","","","","9-[3-(2-Nitroamidazol-1-yl)propyl]amino-1-nitroacridine.HCl","","C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCN4C=CN=C4[N+](=O)[O-].Cl","XEGWFTABWZJOJE-UHFFFAOYSA-N","385364",NA,"PDBC30370","676514","Present"
-"9-[3-[N-(2-N,N-Dimethylamino)ethyl]aminopropyl]amino-1-nitroacridine.3HCl","","","","","","","","","","","","","","","","","","","","9-[3-[N-(2-N,N-Dimethylamino)ethyl]aminopropyl]amino- 1-...","","CN(C)CCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","XFGYCQUGYZLJMZ-UHFFFAOYSA-N","384653",NA,"PDBC30371","674699","Present"
-"9-[4-(4-Methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]-2,6-bis(methylsulfanyl)purine","","","","","","","","","","","","","","","","","","","","9-[4-(4-Methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-2,6-bis(methylsulfanyl)purine","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4SC)SC)OC5=CC=C(C=C5)C","XHBYTQHTEKKITM-UHFFFAOYSA-N","389538",NA,"PDBC30372","685836","Present"
-"9-[4-(Azidomethyl)-3,6-dioxabicyclo[3.1.0]hex-2-yl]purin-6-amine","","","","","","","","","","","","","","","","","","","","9-[4-(Azidomethyl)-3,6-dioxabicyclo[3.1.0]hex-2-yl]purin-6-amine","","C1=NC(=C2C(=N1)N(C=N2)C3C4C(O4)C(O3)CN=[N+]=[N-])N","UOZMKJZGCQCPNO-UHFFFAOYSA-N","3580552",NA,"PDBC30373","125626","Present"
-"9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC(CO)(CO)CO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","VRMZLORNOCRNNI-UHFFFAOYSA-N","384532",NA,"PDBC30374","674503","Present"
-"9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","DEBXZHWGHCFIKI-UHFFFAOYSA-N","365397",NA,"PDBC30375","633017","Present"
-"9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, 9-[[4-[[(aminoiminomethyl)amino] ...","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","AWZDZFOMDYLKQA-UHFFFAOYSA-N","365416",NA,"PDBC30376","633036","Present"
-"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCO)C","FGLYLAFLVHXJAK-UHFFFAOYSA-N","384527",NA,"PDBC30377","674498","Present"
-"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-2-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)C","DCBWYWAFMKJOMT-UHFFFAOYSA-N","385762",NA,"PDBC30378","677156","Present"
-"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)C","BSBVXUAFNPGDIJ-UHFFFAOYSA-N","365407",NA,"PDBC30379","633027","Present"
-"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)C","WKWUXCFWIAXSJG-UHFFFAOYSA-N","385750",NA,"PDBC30380","677144","Present"
-"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)C","XJOBISNIGXZTNX-UHFFFAOYSA-N","365398",NA,"PDBC30381","633018","Present"
-"9-[4-[(4-Methylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","9-[4-[(4-Methylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide","","CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC=CC(=N7)C","CARZYUMVCASIRI-UHFFFAOYSA-N","385749",NA,"PDBC30382","677143","Present"
-"9-[5-(Azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-2-(4-butylanilino)purin-6-ol","","","","","","","","","","","","","","","","","","","","9-[5-(Azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-2-(4-butylanilino)purin-6-ol","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3C4CC(C(O4)CN=[N+]=[N-])O","LFJHCRIDEWWIKI-UHFFFAOYSA-N","135489801",NA,"PDBC30383","677294","Present"
-"9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one","","","","","","","","","","","","","","","","","","","","9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one","","CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C2N=CNC3=O)O","GHCYFLRPIRMTTP-UHFFFAOYSA-N","135455525",NA,"PDBC30384","613005","Present"
-"9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxycarbothioyloxyoxolan-2-yl]-1H-purin-6-one","","","","","","","","","","","","","","","","","","","","9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxycarbothioyloxyoxolan-2-yl]-1H-purin-6-one","","CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C2N=CNC3=O)OC(=S)OC","AKHWATRAUQBPHS-UHFFFAOYSA-N","135455526",NA,"PDBC30385","613007","Present"
-"9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one","","","","","","","","","","","","","","","","","","","","9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one","","CC(C)(C)[Si](C)(C)OCC1CCC(O1)N2C=NC3=C2N=CNC3=O","UBDRNBJBRQIQCA-UHFFFAOYSA-N","135455527",NA,"PDBC30386","613008","Present"
-"9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine","","","","","","","","","","","","","","","","","","","","9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine","","CC(C)(C)[Si](C)(C)OCC1CCC(O1)N2C=NC3=C(N=CN=C32)N","KGDNLTOAOQTVGA-UHFFFAOYSA-N","357470",NA,"PDBC30387","616355","Present"
-"9-[[(3S,17R)-17-[(2R)-6-Methylheptan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acridine","","","","","","","","","","","","","","","","","","","","9-[[(3S,17R)-17-[(2R)-6-Methylheptan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acridine","","CC(C)CCCC(C)C1CCC2C1CCC3C2CC=C4C3CCC(C4)OC5=C6C=CC=CC6=NC7=CC=CC=C75","UDGZRHHAXFNOBQ-RHKTUCHUSA-N","397511",NA,"PDBC30388","705637","Present"
-"9-[[2-(Chloromethyl)phenyl]methyl]-6-[[2-(chloromethyl)phenyl]methylsulfanyl]-3,6-dihydropurin-2-amine","","","","","","","","","","","","","","","","","","","","9-[[2-(Chloromethyl)phenyl]methyl]-6-[[2-(chloromethyl)phenyl]methylsulfanyl]-3,6-dihydropurin-2-amine","","C1=CC=C(C(=C1)CN2C=NC3=C2NC(=NC3SCC4=CC=CC=C4CCl)N)CCl","BBAKRSPPSUBYOP-UHFFFAOYSA-N","60147779",NA,"PDBC30389","752411","Present"
-"9-[[2-(Chloromethyl)phenyl]methyl]purine-2,6-diamine","","","","","","","","","","","","","","","","","","","","9-[2-(Chloromethyl)benzyl]-9h-purine-2,6-diamine","","C1=CC=C(C(=C1)CN2C=NC3=C(N=C(N=C32)N)N)CCl","KQODSXNWVOCPPB-UHFFFAOYSA-N","405763",NA,"PDBC30390","723384","Present"
-"9-alpha-Acetoxyparthenolide","","","","","","","","","","","","","","","","","","","","9-.alpha.-Acetoxyparthenolide","","CC1=CCCC2(C(O2)C3C(CC1OC(=O)C)C(=C)C(=O)O3)C","QMKVWBGFFNUWNW-NVOWOJSYSA-N","54611286",NA,"PDBC30391","672116","Present"
-"9-alpha-Hydroxyparthenolide","","","","","","","","","","","","","","","","","","","","9-hydroxyparthenolide","","CC1=CCCC2(C(O2)C3C(CC1O)C(=C)C(=O)O3)C","RZUCCKARTVHQBW-YVMONPNESA-N","5477074",NA,"PDBC30392","290497","Present"
-"9-alpha-L-Talopyranosyl adenine","","","","","","","","","","","","","","","","","","","","9-.alpha.-L-Talopyranosyl adenine","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O)N","PAECLWKKOWTEJJ-UHFFFAOYSA-N","240186",NA,"PDBC30393","676445","Present"
-"9-beta-Hydroxyparthenolide","","","","","","","","","","","","","","","","","","","","9-.beta.-Hydroxyparthenolide","","CC1=CCCC2(C(O2)C3C(CC1O)C(=C)C(=O)O3)C","RZUCCKARTVHQBW-YHTVCFCTSA-N","54608179",NA,"PDBC30394","672115","Present"
-"9-chloropaullone","","","","","","","","","","","","","","","","","","","","9-chloropaullone","","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Cl","OKMGGPIYQLLQFZ-UHFFFAOYSA-N","383785",NA,"PDBC30395","672232","Present"
-"9-cyclohexylmethyl-7-cyclohexylmethoxy-2-benzyl-1-methyl...","","","","","","","","","","","","","","","","","","","","9-cyclohexylmethyl-7-cyclohexylmethoxy-2-benzyl-1-methyl...","","CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4CCCCC4)CC5CCCCC5)CC6=CC=CC=C6","NWWVNIWMOOTFSC-UHFFFAOYSA-N","54766893",NA,"PDBC30396","760182","Present"
-"9-ethyl-3-(4-methylnaphthalene-1-carbonyl)-9H-carbazole","","","","","","","","","","","","","","","","","","","","9-ethyl-3-(4-methylnaphthalene-1-carbonyl)-9H-carbazole","","CCN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C4=CC=CC=C43)C)C5=CC=CC=C51","JHYURZUKNMASQT-UHFFFAOYSA-N","56651693",NA,"PDBC30397","781590","Present"
-"9-fluoropaullone","","","","","","","","","","","","","","","","","","","","9-fluoropaullone","","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)F","NNDLCXNIMGREEF-UHFFFAOYSA-N","385070",NA,"PDBC30398","675996","Present"
-"9-hydroxy-2-(2-piperidinylethyl)ellipticinium acetate","","","","","","","","","","","","","","","","","","","","9-hydroxy-2-(2-piperidinylethyl)ellipticinium acetate","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)CCN5CCCCC5.CC(=O)[O-]","KCZFREYKTLNWQR-UHFFFAOYSA-N","3086132",NA,"PDBC30399","311153","Present"
-"9-methoxy-2-methylellipticinium iodide","","","","","","","","","","","","","","","","","","","","9-methoxy-2-methylellipticinium iodide","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)C.[I-]","UMHIZUSDRRRZIC-UHFFFAOYSA-N","3086380",NA,"PDBC30400","155693","Present"
-"9-methoxypaullone","","","","","","","","","","","","","","","","","","","","9-methoxypaullone","","COC1=CC2=C(C=C1)NC3=C2CC(=O)NC4=CC=CC=C43","XOAKRYSSJJAKLL-UHFFFAOYSA-N","385068",NA,"PDBC30401","675994","Present"
-"9-methylellipticine","","","","","","","","","","","","","","","","","","","","9-methylellipticine","","CC1=CC2=C(C=C1)NC3=C2C(=C4C=NC=CC4=C3C)C","BYHFFXRDZVPQCW-UHFFFAOYSA-N","97082",NA,"PDBC30402","98949","Present"
-"9-methylpaullone","","","","","","","","","","","","","","","","","","","","9-methylpaullone","","CC1=CC2=C(C=C1)NC3=C2CC(=O)NC4=CC=CC=C43","FDMHWATUIRUWOF-UHFFFAOYSA-N","385069",NA,"PDBC30403","675995","Present"
-"9-morpholinylmethyl-S6-acetyloxymethyl-6-mercaptopurine","","","","","","","","","","","","","","","","","","","","9-morpholinylmethyl-S6-acetyloxymethyl-6-mercaptopurine","","CC(=O)OCSC1=NC=NC2=C1N=CN2CN3CCOCC3","JFRCSXJCJMYMNX-UHFFFAOYSA-N","372422",NA,"PDBC30404","647471","Present"
-"91950Y0JY3","","","","","","","","","","","","","","","","","","","","91950Y0JY3","","CC(C)N1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","GPCOFUCNWMIGSE-UHFFFAOYSA-N","334475",NA,"PDBC30405","339706","Present"
-"9A-O-Methyl-oxymitrone","","","","","","","","","","","","","","","","","","","","9A-O-Methyl-oxymitrone","","COC12CC3=CC=CC=C3OC1(CC(=O)C(=C(C=CC4=CC=CC=C4)O)C2=O)OC","DTOFGOYMLFWLBI-XAHDHBNSSA-N","5459182",NA,"PDBC30406","640229","Present"
-"9H-Carbazole, 1,8-dichloro-3,6-dinitro-","","","","","","","","","","","","","","","","","","","","Q2806562","","C1=C(C=C(C2=C1C3=C(N2)C(=CC(=C3)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]","YNBOZNTWWGDDLF-UHFFFAOYSA-N","225968",NA,"PDBC30407","15886","Present"
-"9H-Fluoren-9-one, 2,3-dinitro-","","","","","","","","","","","","","","","","","","","","Compound 133896","","C1=CC=C2C(=C1)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-]","BTCGQAJWZRCLRP-UHFFFAOYSA-N","281255",NA,"PDBC30408","133896","Present"
-"9H-Fluoren-9-ylmethyl 2-((1-((2-(((2-amino-2-oxoethyl)amino)carbonyl)-1-pyrrolidinyl)carbonyl)-5-((tert-butoxycarbonyl)amino)pentyl)amino)-1-(1H-indol-3-ylmethyl)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-6-oxohexyl]carbamate","","CC(C)(C)OC(=O)NCCCCC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46","HGEAPJQFWJZLFY-UHFFFAOYSA-N","383819",NA,"PDBC30409","672435","Present"
-"9H-Fluoren-9-ylmethyl N-[(13R)-7-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidine-1-carbonyl]-10-(1H-indol-3-ylmethyl)-9,12,16-trioxo-1-oxa-2,8,11-triazacyclohexadec-13-yl]carbamate","","","","","","","","","","","","","","","","","","","","9H-Fluoren-9-ylmethyl N-[(13R)-7-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidine-1-carbonyl]-10-(1H-indol-3-ylmethyl)-9,12,16-trioxo-1-oxa-2,8,11-triazacyclohexadec-13-yl]carbamate","","C1CCNOC(=O)CCC(C(=O)NC(C(=O)NC(C1)C(=O)N2CCCC2C(=O)NCC(=O)N)CC3=CNC4=CC=CC=C43)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57","SILIGTWWNBSTBB-SGFCCVKTSA-N","383817",NA,"PDBC30410","672433","Present"
-"9H-Fluorene, 9-(dinitromethylene)-","","","","","","","","","","","","","","","","","","","","9H-Fluorene, 9-(dinitromethylene)-","","C1=CC=C2C(=C1)C3=CC=CC=C3C2=C([N+](=O)[O-])[N+](=O)[O-]","LXCXLWVHPCFEEP-UHFFFAOYSA-N","363698",NA,"PDBC30411","628813","Present"
-"9H-Furo[2,3-b]pyrido[4,3,2-mn]acridine-11-carboxylic acid, 9-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-oxo-6-oxa-9,19-diazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),4,8,10,12(20),13,15,17-nonaene-5-carboxylate","","COC(=O)C1=CC2=C(O1)C3=NC=CC4=C3C(=NC5=CC=CC=C45)C2=O","GLQGTGZBHNQVDM-UHFFFAOYSA-N","46854647",NA,"PDBC30412","718544","Present"
-"9H-Naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-9-one","","","","","","","","","","","","","","","","","","","","9H-Naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-9-one","","C1=CC=C2C(=C1)C=CC3=C2N4C(=NC(=O)C=N4)S3","IUGGVWUPRRPKOD-UHFFFAOYSA-N","364996",NA,"PDBC30413","631905","Present"
-"9H-Naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazine-9,10(11H)-dione","","","","","","","","","","","","","","","","","","","","9H-Naphtho[1',2':4,5]thiazolo[3,2-b]-1,2,4-triazine- 9,1...","","C1=CC=C2C(=C1)C=CC3=C2N4C(=NC(=O)C(=O)N4)S3","OYHBAMIZNDHXLH-UHFFFAOYSA-N","361467",NA,"PDBC30414","624494","Present"
-"9H-Purin-2-amine, 6-[(4-chloro-2-butyn-1-yl)thio]-","","","","","","","","","","","","","","","","","","","","9H-Purin-2-amine, 6-[(4-chloro-2-butyn-1-yl)thio]-","","C1=NC2=C(N1)C(=NC(=N2)N)SCC#CCCl","JVYUOATYPBSZDW-UHFFFAOYSA-N","60148215",NA,"PDBC30415","754008","Present"
-"9H-Purin-2-amine, 6-chloro-9-[[2-(chloromethyl)phenyl]methyl]-","","","","","","","","","","","","","","","","","","","","9H-Purin-2-amine, 6-chloro-9-[[2-(chloromethyl)phenyl]methyl]-","","C1=CC=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)CCl","BISIUVWWBLFLPM-UHFFFAOYSA-N","405757",NA,"PDBC30416","723378","Present"
-"9H-Purin-2-amine, 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]-","","","","","","","","","","","","","","","","","","","","9H-Purin-2-amine, 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]-","","C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=C(N=C3Cl)N","CRJPPMBLJPQYAL-UHFFFAOYSA-N","405759",NA,"PDBC30417","723380","Present"
-"9H-Purin-2-amine, 6-chloro-9-[[4-(chloromethyl)phenyl]methyl]-","","","","","","","","","","","","","","","","","","","","9H-Purin-2-amine, 6-chloro-9-[[4-(chloromethyl)phenyl]methyl]-","","C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)N)CCl","MRUQZDOMMZBNAW-UHFFFAOYSA-N","405761",NA,"PDBC30418","723382","Present"
-"9H-Purin-2-amine, 9-(2-deoxy-alpha-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-","","","","","","","","","","","","","","","","","","","","9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuran...","","CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4CC(C(O4)CO)O)N)[N+](=O)[O-]","VQKNUOXJMSCJLJ-UHFFFAOYSA-N","299525",NA,"PDBC30419","172614","Present"
-"9H-Purin-6-amine, 9-(3-azido-2-hydroxypropyl)-N-benzoyl-","","","","","","","","","","","","","","","","","","","","9H-Purin-6-amine, 9-(3-azido-2-hydroxypropyl)-N-benzoyl-","","C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)CC(CN=[N+]=[N-])O","WNAOKIREWPIZGJ-UHFFFAOYSA-N","373903",NA,"PDBC30420","650909","Present"
-"9H-Purin-6-amine, 9-methyl-8-(methylthio)-","","","","","","","","","","","","","","","","","","","","9H-Purin-6-amine, 9-methyl-8-(methylthio)-","","CN1C2=NC=NC(=C2N=C1SC)N","KXBLJZGZRLZVLE-UHFFFAOYSA-N","381401",NA,"PDBC30421","667945","Present"
-"9H-Purin-6-amine,1-dimethylethyl)dimethylsilyl oxy]methyl]-2,5-dihydrofuran-2-yl)]-","","","","","","","","","","","","","","","","","","","","9H-Purin-6-amine, 9-[[5-[(1,1-dimethylethyl)dimethylsily...","","CC(C)(C)[Si](C)(C)OCC1C=CC(O1)N2C=NC3=C(N=CN=C32)N","JROPDPSZZDSLDJ-UHFFFAOYSA-N","357471",NA,"PDBC30422","616356","Present"
-"9H-Purine, 2-((4-butylphenyl)amino)-","","","","","","","","","","","","","","","","","","","","LS-126486","","CCCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N=CN3","FAYSZBMSWLHYEM-UHFFFAOYSA-N","496196",NA,"PDBC30423","681703","Present"
-"9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)selenyl]-9-beta-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)sel...","","CN1C=NC(=C1[Se]C2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-]","REGVONRTDQXBKW-UHFFFAOYSA-N","284244",NA,"PDBC30424","140032","Present"
-"9H-Purine, 6-(allylthio)-9-beta-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","9h-purine, 6-(allylthio)-9-.beta.-d-ribofuranosyl- (8ci)","","C=CCSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O","MESFUVRJGABYOW-UHFFFAOYSA-N","236667",NA,"PDBC30425","39367","Present"
-"9H-Purine, 9-butyl-6-(methylthio)-","","","","","","","","","","","","","","","","","","","","WLN: T56 BN DN FN HNJ D4 IS1","","CCCCN1C=NC2=C1N=CN=C2SC","OHHJPJULCIJFST-UHFFFAOYSA-N","96530",NA,"PDBC30426","78508","Present"
-"9H-Purine, compd. with ethanol (4:1)","","","","","","","","","","","","","","","","","","","","9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9...","","CCO.CN1C=NC(=C1SC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]","BKHJMHKYKWVYKX-UHFFFAOYSA-N","54606076",NA,"PDBC30427","91745","Present"
-"9H-Purine,3S,4R,5R)-3,4-Dihydroxy-5-(9H-purin-9-yl)tetrahydrofuran-2-yl]methyl sulfamate","","","","","","","","","","","","","","","","","","","","9h-purine, 9-[5-o-(aminosulfonyl)-.beta.-d-ribofuranosyl)]-","","C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)N)O)O","DTLIZHPZNQSZFO-UHFFFAOYSA-N","54613537",NA,"PDBC30428","750854","Present"
-"9H-Pyrido[3, N-(2,4-dinitrophenyl)-1-phenyl-","","","","","","","","","","","","","","","","","","","","9H-Pyrido[3,4-b]indol-8-amine, N-(2,4-dinitrophenyl)- 1-...","","C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=CC=C4NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","WYNMZEUJBBVCHQ-UHFFFAOYSA-N","3406978",NA,"PDBC30429","620319","Present"
-"9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-","","","","","","","","","","","","","","","","","","","","9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-","","C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=C(C=C4)N","JPFQINVOSKUDHH-UHFFFAOYSA-N","359452",NA,"PDBC30430","620317","Present"
-"9H-Pyrido[3,4-b]indole-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","LS-192596","","C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)O","ARLVFKCLBYUINL-UHFFFAOYSA-N","173262",NA,"PDBC30431","623957","Present"
-"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 10-methoxy-","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 10-methoxy-","","COC1=C2C(=NC=C1)C3=NC=CC4=C3C(=NC5=CC=CC=C45)C2=O","NPMBMAQAWUDHLX-UHFFFAOYSA-N","388733",NA,"PDBC30432","683786","Present"
-"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(2-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(2-nitrop...","","C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=CC=C6[N+](=O)[O-]","XKNLGDPIFYVQEQ-UHFFFAOYSA-N","54608997",NA,"PDBC30433","698243","Present"
-"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(3-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(3-methox...","","COC1=CC=CC(=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6","MBZVDXZVXCZACZ-UHFFFAOYSA-N","54608964",NA,"PDBC30434","697747","Present"
-"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(4-methyl...","","CC1=CC=C(C=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6","LVQTTZXQIGFSMZ-UHFFFAOYSA-N","54608995",NA,"PDBC30435","698244","Present"
-"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(4-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(4-nitrop...","","C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]","JSFAUMFBRMXMFJ-UHFFFAOYSA-N","54608965",NA,"PDBC30436","697748","Present"
-"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-methyl-","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-methyl-","","CC1=CC2=C3C(=N1)C4=C(C=CC=N4)C(=O)C3=NC5=CC=CC=C52","JUDGTRUZCMXJMA-UHFFFAOYSA-N","4297981",NA,"PDBC30437","683787","Present"
-"9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 3-(acetoxymethyl)-","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 3-(acetoxym...","","CC(=O)OCC1=CN=C2C3=C1C4=CC=CC=C4N=C3C(=O)C5=C2N=CC=C5","CGADRZKENIJAJE-UHFFFAOYSA-N","4998422",NA,"PDBC30438","694488","Present"
-"9H-Quino[4,2-de]phenanthrolin-9-one, 2-(2-phenylethylene)-","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de]phenanthrolin-9-one, 2-(2-phenylethyle...","","C1=CC=C(C=C1)C=CC2=CC3=C4C(=N2)C5=C(C=CC=N5)C(=O)C4=NC6=CC=CC=C63","LAPYAYNGQLTKNC-OUKQBFOZSA-N","6144589",NA,"PDBC30439","686555","Present"
-"9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(1-piperidinyl)ethyl]amino]-","","","","","","","","","","","","","","","","","","","","Thioxanthen-9-one, 4-(hydroxymethyl)-1-[(2-piperidinoeth...","","C1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O","WKUYEBVLTZDQDV-UHFFFAOYSA-N","72827",NA,"PDBC30440","166366","Present"
-"9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-1-piperazinyl)ethyl]amino]-","","","","","","","","","","","","","","","","","","","","9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-...","","CN1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O","ZBTCQRIBGXSGEE-UHFFFAOYSA-N","296321",NA,"PDBC30441","166381","Present"
-"9H-Thioxanthen-9-one,monohydriodide","","","","","","","","","","","","","","","","","","","","NSC317003","","CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(S2)C=CC(=C3)O.I","WJOQXEPGKLCGCC-UHFFFAOYSA-N","13504751",NA,"PDBC30442","317003","Present"
-"9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-","","","","","","","","","","","","","","","","","","","","9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-","","COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC","QPTYQJBRCIANSR-UHFFFAOYSA-N","370636",NA,"PDBC30443","643978","Present"
-"9H-[1,2,4]Triazolo[5,1-b][1,3]benzothiazine-2,9(1H)-dione","","","","","","","","","","","","","","","","","","","","9H-[1,2,4]Triazolo[5,1-b][1,3]benzothiazine-2,9(1H)-dione","","C1=CC=C2C(=C1)C(=O)N3C(=NC(=O)N3)S2","QKALGVKFVXPPBY-UHFFFAOYSA-N","364995",NA,"PDBC30444","631904","Present"
-"9J2BCV8VXC","","","","","","","","","","","","","","","","","","","","9J2BCV8VXC","","CCOC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3","VRXADELDEAADGK-UHFFFAOYSA-N","326899",NA,"PDBC30445","299514","Present"
-"9K-011","","","","","","","","","","","","","","","","","","","","9K-011","","C1=CC(=NC(=C1)Cl)C(C#N)C2=CC=C(C=C2)Cl","KFUYTJBERFHHIL-UHFFFAOYSA-N","366010",NA,"PDBC30446","634183","Present"
-"9LC3489KIW","","","","","","","","","","","","","","","","","","","","9LC3489KIW","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NN=C2C(=O)N","SYLXSYKPLOSTDX-UHFFFAOYSA-N","72802",NA,"PDBC30447","307500","Present"
-"9N2BLV59GJ","","","","","","","","","","","","","","","","","","","","9N2BLV59GJ","","C1=CC=C(C=C1)C2=CN=NC3=C4C(=C(N=NC4=NN23)C5=CC=CC=C5)C6=CC=CC=C6","KJPUGCZAQOOLMU-UHFFFAOYSA-N","337393",NA,"PDBC30448","355170","Present"
-"9S4K6KAQ7M","","","","","","","","","","","","","","","","","","","","9S4K6KAQ7M","","COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC","QXRNWRWFNALYGH-UHFFFAOYSA-N","5386963",NA,"PDBC30449","618934","Present"
-"9Y707M2PJH","","","","","","","","","","","","","","","","","","","","9Y707M2PJH","","CCN(CC)C(=S)SCC(=O)NC1=NC2=C(S1)CCCC2","AZCCSEDCJWTLGS-UHFFFAOYSA-N","373879",NA,"PDBC30450","650842","Present"
-"9a-Allyl-7-methoxy-3,4,4a,9a-tetrahydro-1H-fluorene-2,9-dione","","","","","","","","","","","","","","","","","","","","9a-Allyl-7-methoxy-3,4,4a,9a-tetrahydro-1H-fluorene-2,9-dione","","COC1=CC2=C(C=C1)C3CCC(=O)CC3(C2=O)CC=C","CXRDSDFDNUARSP-UHFFFAOYSA-N","372283",NA,"PDBC30451","647341","Present"
-"9a-Hydroxy-8-methoxy-1,2,3,4,4a,9a-hexahydro-9H-fluoren-9-one","","","","","","","","","","","","","","","","","","","","9a-Hydroxy-8-methoxy-1,2,3,4,4a,9a-hexahydro-9H-fluoren-9-one","","COC1=CC=CC2=C1C(=O)C3(C2CCCC3)O","FXJPJLDVHPAZBR-UHFFFAOYSA-N","375525",NA,"PDBC30452","655304","Present"
-"9a-Piperidin-1-yl-1,2,3,4,4a,9-hexahydrocarbazole","","","","","","","","","","","","","","","","","","","","9a-(1-Piperidyl)-1,2,3,4,4a,9-hexahydrocarbazole","","C1CCN(CC1)C23CCCCC2C4=CC=CC=C4N3","ILAQLPKKUPIWQY-UHFFFAOYSA-N","396622",NA,"PDBC30453","703121","Present"
-"9b-(4-Fluorophenyl)-1-(p-tolylsulfonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one","","","","","","","","","","","","","","","","","","","","9b-(4-Fluorophenyl)-1-(p-tolylsulfonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN3C2(C4=CC=CC=C4C3=O)C5=CC=C(C=C5)F","IXBUCQCXAFHOJZ-UHFFFAOYSA-N","388689",NA,"PDBC30454","683713","Present"
-"9b-Methoxy-4,6a-dimethyl-2,3,9,9a-tetrahydropyrazolo[3,4-h][1,4]benzoxazin-6-one","","","","","","","","","","","","","","","","","","","","9b-Methoxy-4,6a-dimethyl-2,3,9,9a-tetrahydropyrazolo[3,4-h][1,4]benzoxazin-6-one","","CC12C(CN=N1)C3(C(=CC2=O)N(CCO3)C)OC","YMDXVRJQRAHLED-UHFFFAOYSA-N","362831",NA,"PDBC30455","627201","Present"
-"9b-Methoxy-4,9-dimethyl-3,4,8,9,9a,9b-hexahydro[1,4]oxazino[2,3-e]indazol-6(2H)-one","","","","","","","","","","","","","","","","","","","","9b-Methoxy-4,9-dimethyl-3,4,8,9,9a,9b-hexahydro[1,4]oxazino[2,3-e]indazol-6(2H)-one","","CC1C2C(=NN1)C(=O)C=C3C2(OCCN3C)OC","HTASJZKJAQOKEG-UHFFFAOYSA-N","362830",NA,"PDBC30456","627200","Present"
-"9b-Methoxy-4-methyl-3,6a,9,9a-tetrahydro-2H-pyrazolo[3,4-h][1,4]benzoxazin-6-one","","","","","","","","","","","","","","","","","","","","9b-Methoxy-4-methyl-3,6a,9,9a-tetrahydro-2H-pyrazolo[3,4-h][1,4]benzoxazin-6-one","","CN1CCOC2(C1=CC(=O)C3C2CN=N3)OC","JXNJQCLKQSAFBM-UHFFFAOYSA-N","362829",NA,"PDBC30457","627199","Present"
-"9beta,19-Cyclolanost-24-en-3beta-ol","","","","","","","","","","","","","","","","","","","","cycloartenol","","CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C","ONQRKEUAIJMULO-SPBTXPORSA-N","382580",NA,"PDBC30458","670193","Present"
-"9beta-Hydroxyfuranoeremophilane","","","","","","","","","","","","","","","","","","","","NSC672988","","CC1CCCC2C1(CC3=C(C2O)OC=C3C)C","FYJIYZRXJNERQZ-XTWPYSKKSA-N","383985",NA,"PDBC30459","672988","Present"
-"A 8671K119","","","","","","","","","","","","","","","","","","","","A 8671K119","","","","",NA,"PDBC30460","53398","Present"
-"A C60 Fullerene","","","","","","","","","","","","","","","","","","","","A C60 Fullerene","","C1COCCOCCOCCOCCOCCN1C2C3=C4C5=C6C7=C(CC8=C7C9=C1C6=C4C4=C2C=C2C4=C1C1=C9C(=C8)C=CC1=C2)C=C5C=C3","WUKRAMDLHBROAJ-UHFFFAOYSA-N","495963",NA,"PDBC30461","674718","Present"
-"A-1210477","","","","","","","","","","","","","","","","","","","","A-1210477","","CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C","XMVAWGSQPHFXKU-UHFFFAOYSA-N","66575373",NA,"PDBC30462","784817","Present"
-"A-64718","","","","","","","","","","","","","","","","","","","","A-64718","","CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC2=CC=CC=C2N1","ZCLCUGHPNSTPGZ-HXUWFJFHSA-N","367892",NA,"PDBC30463","638069","Present"
-"A-911","","","","","","","","","","","","","","","","","","","","A-911","","COC1=C(C=C(C=C1)F)C2=C3C=C(NC3=NC=C2)C4=CCN(CC4)C5CCC(CC5)CC(=O)O","DZZGVCFHAAYUAE-UHFFFAOYSA-N","90411536",NA,"PDBC30464","788794","Present"
-"A05-A1B2-I","","","","","","","","","","","","","","","","","","","","A05-A1B2-I","","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=C(C3=O)C=C(C=C4)Br","PTZNOHFUDZSWGX-UHFFFAOYSA-N","403166",NA,"PDBC30465","717818","Present"
-"A05-A4B1-I","","","","","","","","","","","","","","","","","","","","A05-A4B1-I","","C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)F)O","FYLWBNLJDXFSNQ-UHFFFAOYSA-N","403163",NA,"PDBC30466","717814","Present"
-"A05-A5B1-I","","","","","","","","","","","","","","","","","","","","A05-A5B1-I","","C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)Cl)O","RUTNUZIYAWTMEA-UHFFFAOYSA-N","403164",NA,"PDBC30467","717815","Present"
-"A1-00851","","","","","","","","","","","","","","","","","","","","A1-00851","","CCOC(=O)C(=O)NC1=CC=CC=C1C(C)C","FOAJRCGDWYJLDV-UHFFFAOYSA-N","362278",NA,"PDBC30468","625889","Present"
-"A1-02613","","","","","","","","","","","","","","","","","","","","A1-02613","","COC1=C(C2=CC=CC=C2C=C1Br)C3=C(C(=CC4=CC=CC=C43)Br)OC","DFTUKDIMHCCQIT-UHFFFAOYSA-N","394170",NA,"PDBC30469","697407","Present"
-"A1-04806","","","","","","","","","","","","","","","","","","","","A1-04806","","CC(C)(C(=O)NC(C)(C)C(=O)O)NC(=O)OCC1=CC=CC=C1","BJMRSYFLRSLBEH-UHFFFAOYSA-N","382256",NA,"PDBC30470","669711","Present"
-"A25820","","","","","","","","","","","","","","","","","","","","A25820","","C1CCN(CC1)CC(CN2CCN(CC2)C=O)O","GAUYDPLFKRENDX-UHFFFAOYSA-N","247531",NA,"PDBC30471","62380","Present"
-"A6651","","","","","","","","","","","","","","","","","","","","A6651","","C1=CC=C(C=C1)CN(CSC2=CC=C(C=C2)Br)CSC3=CC=C(C=C3)Br","XDOLEJIVBJJNNV-UHFFFAOYSA-N","268815",NA,"PDBC30472","109257","Present"
-"A802644","","","","","","","","","","","","","","","","","","","","A802644","","C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)Br","MSKCVIWSIKALRD-UHFFFAOYSA-N","384600",NA,"PDBC30473","674612","Present"
-"A810813","","","","","","","","","","","","","","","","","","","","A810813","","CCCSC1CCOP(=O)(N1C)N(CCCl)CCCl","QEIAPXSXRUYDDN-UHFFFAOYSA-N","368013",NA,"PDBC30474","638242","Present"
-"A813452","","","","","","","","","","","","","","","","","","","","A813452","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCNC(=O)C3=CC=CC=C3","QONYYTKNTAWWBC-UHFFFAOYSA-N","225069",NA,"PDBC30475","14143","Present"
-"A817522","","","","","","","","","","","","","","","","","","","","A817522","","C(C(=O)O)NC(=O)C1C(OC(N1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F","SMOIGBFAZZYOSZ-UHFFFAOYSA-N","293597",NA,"PDBC30476","160391","Present"
-"A817740","","","","","","","","","","","","","","","","","","","","A817740","","COC1=NN=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32","QQLHEWWXBASUQZ-UHFFFAOYSA-N","267581",NA,"PDBC30477","107043","Present"
-"A818039","","","","","","","","","","","","","","","","","","","","A818039","","C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O","QMFJHPFJGDEWOU-UHFFFAOYSA-N","272598",NA,"PDBC30478","117212","Present"
-"A819529","","","","","","","","","","","","","","","","","","","","A819529","","CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1C)Cl)C3=CC(=C(C=C3)Cl)Cl","HMWGASGKQAVXQS-UHFFFAOYSA-N","224816",NA,"PDBC30479","13630","Present"
-"A821143","","","","","","","","","","","","","","","","","","","","A821143","","CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1)Cl)SCC3=CC=CC=C3","CPNZFAYIRSHTEY-UHFFFAOYSA-N","224743",NA,"PDBC30480","13483","Present"
-"A827903","","","","","","","","","","","","","","","","","","","","A827903","","C1=CC2=C(NC3=CC4=C(C=C3C2=O)NC(=O)N4)N=C1","SGGXTMSSHMVAEE-UHFFFAOYSA-N","378711",NA,"PDBC30481","661816","Present"
-"A827946","","","","","","","","","","","","","","","","","","","","A827946","","C1CSC(SC1)(C2=CC=CC=C2F)C3=C(C(=O)C3=O)NCC4=CC=CC=C4","LUHATEJTDANQAJ-UHFFFAOYSA-N","394551",NA,"PDBC30482","698096","Present"
-"A836813","","","","","","","","","","","","","","","","","","","","A836813","","CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OC","OXRCQEMNONCHMK-UHFFFAOYSA-N","233390",NA,"PDBC30483","31884","Present"
-"A837438","","","","","","","","","","","","","","","","","","","","A837438","","C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3=O)C(=O)O","ATUORTCNLKBLMD-UHFFFAOYSA-N","240386",NA,"PDBC30484","46538","Present"
-"A842338","","","","","","","","","","","","","","","","","","","","A842338","","CN1C2=NC(=NC(=C2C=N1)NCCC3=CC=CC=C3)Cl","KRNAPVRIULRUAL-UHFFFAOYSA-N","227530",NA,"PDBC30485","19139","Present"
-"A843300","","","","","","","","","","","","","","","","","","","","A843300","","CC1CCCN(C1)CC(CN2CCCC3=CC=CC=C32)O","VOGJJIQUEMRFQF-UHFFFAOYSA-N","247530",NA,"PDBC30486","62378","Present"
-"AAJYCHBLTARBTA-SOFGYWHQSA-N","","","","","","","","","","","","","","","","","","","","AAJYCHBLTARBTA-SOFGYWHQSA-N","","CCOC(=O)C=CC1=CC=C(N1)C(=O)OCC","AAJYCHBLTARBTA-SOFGYWHQSA-N","5383641",NA,"PDBC30487","177989","Present"
-"AB-928","","","","","","","","","","","","","","","","","","","","AB-928","","CC1=C(C=CC=C1C2=CC(=NC(=N2)N)C3=CN(N=N3)CC4=NC(=CC=C4)C(C)(C)O)C#N","BUXIAWLTBSXYSW-UHFFFAOYSA-N","135242184",NA,"PDBC30488","823658","Present"
-"AB07325","","","","","","","","","","","","","","","","","","","","AB07325","","C1CCC2=C(C1)C3=C(S2)N=C(N=C3Cl)Cl","CPWQCJFDDILDOU-UHFFFAOYSA-N","290234",NA,"PDBC30489","153325","Present"
-"AB26777","","","","","","","","","","","","","","","","","","","","AB26777","","CC1=CSC2=NC(=CN12)C3=CC=NC=C3","KBZPNUKMVHLHQJ-UHFFFAOYSA-N","369510",NA,"PDBC30490","641290","Present"
-"AB680 diammonium salt","","","","","","","","","","","","","","","","","","","","AB-680 diammonium salt","","CC(C1=CC=CC=C1F)NC2=CC(=NC3=C2C=NN3C4C(C(C(O4)COP(=O)(CP(=O)(O)[O-])[O-])O)O)Cl","MFYLCAMJNGIULC-KCVUFLITSA-L","155809269",NA,"PDBC30491","820283","Present"
-"ABBV-744","","","","","","","","","","","","","","","","","","","","ABBV-744","","CCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=C(C=C(C=C4C)F)C)C","OEDSFMUSNZDJFD-UHFFFAOYSA-N","132010322",NA,"PDBC30492","812415","Present"
-"ABC-1183","","","","","","","","","","","","","","","","","","","","ABC-1183","","CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)C#N)N","CUDLEXBIVZPJBU-UHFFFAOYSA-N","134500787",NA,"PDBC30493","797769","Present"
-"ABC-294640","","","","","","","","","","","","","","","","","","","","ABC-294640","","C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl","CAOTVXGYTWCKQE-UHFFFAOYSA-N","15604015",NA,"PDBC30494","796101","Present"
-"ABRIN A","","","","","","","","","","","","","","","","","","","","ABRIN A","","","","",NA,"PDBC30495","632990","Present"
-"AC 3579","","","","","","","","","","","","","","","","","","","","AC 3579","","CN1CCN(CC1)CC2=NC3=CC=CC4=C3C(=[N+]2[O-])C5=CC=CC=C45","YIQDJLNMGMFEOP-UHFFFAOYSA-N","72843",NA,"PDBC30496","170561","Present"
-"AC-710","","","","","","","","","","","","","","","","","","","","AC-710","","CCN1C(CC(CC1(C)C)OC2=CN=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C)(C)C","JVCWPUFNLFSKFS-UHFFFAOYSA-N","54760053",NA,"PDBC30497","787038","Present"
-"AC1L8IIJ","","","","","","","","","","","","","","","","","","","","AC1L8IIJ","","COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC.C(CS(=O)(=O)O)O","OUXQTCRLCHDCTF-UHFFFAOYSA-N","382057",NA,"PDBC30498","669364","Present"
-"AC1L8IIM","","","","","","","","","","","","","","","","","","","","AC1L8IIM","","CS(=O)(=O)O.C1=CC(=CC(=C1)Br)NC2=NC=NC3=CC(=NC=C32)N","XEURSJHGRBFNCW-UHFFFAOYSA-N","382058",NA,"PDBC30499","669365","Present"
-"AC1LLQ0L","","","","","","","","","","","","","","","","","","","","AC1LLQ0L","","C1=CC(=CC(=C1)Cl)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O","BRCGPVHRBGGGPW-UHFFFAOYSA-N","1114144",NA,"PDBC30500","729131","Present"
-"AC1NTNKE","","","","","","","","","","","","","","","","","","","","AC1NTNKE","","CC(=C1C(=O)OC(=N1)C2=CC=CC=C2)C3=CC=CC=C3","TYPJAOYNIKQSCQ-NTCAYCPXSA-N","5384656",NA,"PDBC30501","351965","Present"
-"AC1OB7T2","","","","","","","","","","","","","","","","","","","","AC1OB7T2","","C1=CC=C2C(=C1)C=CC(=C2C=CC3=NC4=C(C=C3)C(=CC(=C4O)Br)Br)O","NGEIVDFIXGKIKP-SOFGYWHQSA-N","135422273",NA,"PDBC30502","67091","Present"
-"ACETIC ACID, IODO-, TRIESTER with GLYCEROL","","","","","","","","","","","","","","","","","","","","glycerol-tris(iodoacetate)","","C(C(COC(=O)CI)OC(=O)CI)OC(=O)CI","NSGOBVLOLGZLSI-UHFFFAOYSA-N","23681",NA,"PDBC30503","30033","Present"
-"ACETOXYPHENANTHRYLMERCURY","","","","","","","","","","","","","","","","","","","","ACETOXYPHENANTHRYLMERCURY","","","","",NA,"PDBC30504","534","Present"
-"ACF1IB6KN8","","","","","","","","","","","","","","","","","","","","ACF1IB6KN8","","CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)N)(C(=O)OCC)NC(=O)C","LMIVCDUFWCNZDD-UHFFFAOYSA-N","247760",NA,"PDBC30505","63027","Present"
-"ACM211359783","","","","","","","","","","","","","","","","","","","","ACM211359783","","CCC1C2=C(CC3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=CC=CC=C4N2","MSEKYFBUODOFAK-ABHNRTSZSA-N","397166",NA,"PDBC30506","704571","Present"
-"ACM211359794","","","","","","","","","","","","","","","","","","","","ACM211359794","","CC(C)(C)OC(=O)CCC1C(=O)N2C(CC3=C(C2C4=CC=CC=C4)NC5=CC=CC=C35)C(=O)N1","BSEJMCYRADYFBM-DQBMGFJSSA-N","397170",NA,"PDBC30507","704575","Present"
-"ACM211359807","","","","","","","","","","","","","","","","","","","","ACM211359807","","CC(C)(C)OC(=O)CCC1C(=O)N2C(CC3=C(C2C4CCCCC4)NC5=CC=CC=C35)C(=O)N1","ICGYPZZDGBLMPO-DQBMGFJSSA-N","397175",NA,"PDBC30508","704580","Present"
-"ACM211359829","","","","","","","","","","","","","","","","","","","","ACM211359829","","CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=CC=CC=C4N2","BCZFDPQIRPGIJS-MHJFOBGBSA-N","397179",NA,"PDBC30509","704584","Present"
-"ACM39763025","","","","","","","","","","","","","","","","","","","","ACM39763025","","C1=CC(=O)N(C1=O)CCCCCCCCCCN2C(=O)C=CC2=O","VBRQKZUHWJXGLS-UHFFFAOYSA-N","239578",NA,"PDBC30510","44753","Present"
-"ACM52837555","","","","","","","","","","","","","","","","","","","","ACM52837555","","C1CC2=C(C3=CC=CC=C31)NN=C2C4=CC=NC=C4","NNOXRNQSZZKVKE-UHFFFAOYSA-N","104337",NA,"PDBC30511","247998","Present"
-"ACOXBLKYCWQGBU-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ACOXBLKYCWQGBU-UHFFFAOYSA-N","","CCOC(=O)C(C(F)(F)F)NC(=O)NCC1=CC=C(C=C1)F","ACOXBLKYCWQGBU-UHFFFAOYSA-N","383649",NA,"PDBC30512","672067","Present"
-"ACRIDINE, 9-(p-DIMETHYLAMINOANILINO)-","","","","","","","","","","","","","","","","","","","","win 1701","","CN(C)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42","WBERNRVMJQYKKR-UHFFFAOYSA-N","25926",NA,"PDBC30513","13002","Present"
-"ADA 1A10","","","","","","","","","","","","","","","","","","","","ADA 1A10","","","","",NA,"PDBC30514","636212","Present"
-"ADA 1G5","","","","","","","","","","","","","","","","","","","","ADA 1G5","","","","",NA,"PDBC30515","636213","Present"
-"ADA 2F8","","","","","","","","","","","","","","","","","","","","ADA 2F8","","","","",NA,"PDBC30516","636211","Present"
-"ADC Acid Brilliant Milling Violet 4BS","","","","","","","","","","","","","","","","","","","","violet bnp","","CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)O","BTWMAWYAYFSBNC-UHFFFAOYSA-O","92206",NA,"PDBC30517","5019","Present"
-"ADDCVOVTPBVIOZ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ADDCVOVTPBVIOZ-UHFFFAOYSA-N","","CN(C)C1(CCC2(CC1)OCCO2)C#N","ADDCVOVTPBVIOZ-UHFFFAOYSA-N","360977",NA,"PDBC30518","623708","Present"
-"ADH-1 trifluroacetate","","","","","","","","","","","","","","","","","","","","exherin","","CC1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CN=CN2)NC(=O)C)C(=O)N)C(C)C.C(=O)(C(F)(F)F)O","RMLOJFSXNMROLS-BMLUHVGESA-N","24203776",NA,"PDBC30519","729477","Present"
-"AE-406/41056984","","","","","","","","","","","","","","","","","","","","AE-406/41056984","","CC1=C2CCN(C2=C3C=C(C=CC3=N1)Cl)C4=CC=C(C=C4)F","LOACRZGVRDEQGR-UHFFFAOYSA-N","379746",NA,"PDBC30520","664718","Present"
-"AE-406/41057053","","","","","","","","","","","","","","","","","","","","AE-406/41057053","","CC1=C(C(=O)N2C3=CC=CC=C3N(C2=C1C#N)C)CCOC","WTTMVWXCPHQNLC-UHFFFAOYSA-N","377272",NA,"PDBC30521","658525","Present"
-"AE-477/13519201","","","","","","","","","","","","","","","","","","","","AE-477/13519201","","C=CCCN1C(=O)OC(=N1)C2=CC=CC=C2","QDHZOXMEMBNEMB-UHFFFAOYSA-N","359328",NA,"PDBC30522","620113","Present"
-"AE-508/36402063","","","","","","","","","","","","","","","","","","","","AE-508/36402063","","C1=CC=C(C=C1)C2=C(C(=C(C3=C(SC(=C23)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)C(=O)C8=CC=CC=C8","GUFOKCDASAHENZ-UHFFFAOYSA-N","363205",NA,"PDBC30523","627879","Present"
-"AE-641/09782016","","","","","","","","","","","","","","","","","","","","AE-641/09782016","","C1=CC(=CC=C1OC2=C(C=C(C=C2)N=CC3=C(C=C(C=C3)Cl)Cl)Cl)Cl","XROGJXMBTGUNFK-UHFFFAOYSA-N","392946",NA,"PDBC30524","694160","Present"
-"AE-641/11407745","","","","","","","","","","","","","","","","","","","","AE-641/11407745","","COC(=O)C1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)O","PPFDSCSBVAUJCM-UHFFFAOYSA-N","54681631",NA,"PDBC30525","659484","Present"
-"AE-646/31212053","","","","","","","","","","","","","","","","","","","","AE-646/31212053","","C1COC2(O1)C3C4C5C2(C6C5C4(C63)C(=O)O)Br","ZGOHSJGPNWPPHD-UHFFFAOYSA-N","371793",NA,"PDBC30526","646237","Present"
-"AE-848/32009042","","","","","","","","","","","","","","","","","","","","AE-848/32009042","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC=C(C=C4)N(C)C","TTZROTFCBLJUBO-UHFFFAOYSA-N","389243",NA,"PDBC30527","684996","Present"
-"AE-848/33223014","","","","","","","","","","","","","","","","","","","","AE-848/33223014","","C1=CC=C2C(=C1)SC(=C3SC4=CC=CC=C4S3)S2","OVIRUXIWCFZJQC-UHFFFAOYSA-N","141136",NA,"PDBC30528","623559","Present"
-"AE-848/36289019","","","","","","","","","","","","","","","","","","","","AE-848/36289019","","CN(C)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3O2","BDLCKVSBCPDQJX-WJDWOHSUSA-N","5467627",NA,"PDBC30529","657006","Present"
-"AE3 antibody","","","","","","","","","","","","","","","","","","","","AE3 antibody","","","","",NA,"PDBC30530","740289","Present"
-"AEROTHIONIN","","","","","","","","","","","","","","","","","","","","AEROTHIONIN","","COC1=C(C(C2(CC(=NO2)C(=O)NCCCCNC(=O)C3=NOC4(C3)C=C(C(=C(C4O)Br)OC)Br)C=C1Br)O)Br","BJWQSQOWGBUSFC-UHFFFAOYSA-N","301120",NA,"PDBC30531","177380","Present"
-"AF 015","","","","","","","","","","","","","","","","","","","","AF 015","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NOCCCC5=CC=CC=C5)C","RTZJZXNZOCDNHE-IFOPSIBHSA-N","135534673",NA,"PDBC30532","143476","Present"
-"AF-407/32638012","","","","","","","","","","","","","","","","","","","","AF-407/32638012","","CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","XNKCXUOOZIXYHB-UHFFFAOYSA-N","389956",NA,"PDBC30533","686659","Present"
-"AF-DX 250","","","","","","","","","","","","","","","","","","","","AF-DX 250","","CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42","RLUNJKJUFRFYJM-UHFFFAOYSA-N","379651",NA,"PDBC30534","664528","Present"
-"AF52","","","","","","","","","","","","","","","","","","","","AF52","","C1COCCN1C2=NC(=NC(=N2)N)CCl","MFAGDEITRDZSFJ-UHFFFAOYSA-N","210892",NA,"PDBC30535","686790","Present"
-"AFP464","","","","","","","","","","","","","","","","","","","","AFP464","","CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)C(CCCCN)N)F)N)F.CS(=O)(=O)O","MJVICFBYAVBBOA-ZOWNYOTGSA-N","399587",NA,"PDBC30536","710464","Present"
-"AG 490, m-CF3","","","","","","","","","","","","","","","","","","","","AG 490, m-CF3","","C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N","CBZPIGMULPRVPO-AWNIVKPZSA-N","11516050",NA,"PDBC30537","722757","Present"
-"AG 957","","","","","","","","","","","","","","","","","","","","AG 957","","COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","QSFREBZMBNRGOK-UHFFFAOYSA-N","2064",NA,"PDBC30538","654705","Present"
-"AG-2037; AG 2037; AG2037","","","","","","","","","","","","","","","","","","","","Pelitrexol isomer A///Pelitrexol isomer B","","CC1=C(SC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)CCC2CC3=C(NC2)N=C(NC3=O)N","QXOPTIPQEVJERB-UHFFFAOYSA-N","135992026",NA,"PDBC30539","772290///772291","Present"
-"AG-205/11133983","","","","","","","","","","","","","","","","","","","","AG-205/11133983","","CCOC(=O)C(C(F)(F)F)(NC(C)C)NC(=O)CC(C)C","LVHYAIKTLQVAIW-UHFFFAOYSA-N","389156",NA,"PDBC30540","684840","Present"
-"AG-205/11317141","","","","","","","","","","","","","","","","","","","","AG-205/11317141","","CN1CC(=CC2=CC=C(C=C2)OC)C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)OC","FHJARLMXPKCCEJ-LDADJPATSA-N","5470908",NA,"PDBC30541","706204","Present"
-"AG-205/32407052","","","","","","","","","","","","","","","","","","","","AG-205/32407052","","C1=CC=C(C=C1)CNC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","BJQQXOJVSPZJAD-BMRADRMJSA-N","3106766",NA,"PDBC30542","698359","Present"
-"AG-205/36953161","","","","","","","","","","","","","","","","","","","","AG-205/36953161","","C1C(=O)NC(=NN=CC2=CN(C3=CC=CC=C32)CC4=C(C=C(C=C4)Cl)Cl)S1","JGVCFYIGOIVEGD-GZIVZEMBSA-N","135436285",NA,"PDBC30543","717516","Present"
-"AG-370","","","","","","","","","","","","","","","","","","","","AG-370","","C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=C(C#N)C#N)N","CMMDWEJTQUTCKG-WUXMJOGZSA-N","5328748",NA,"PDBC30544","651712","Present"
-"AG-389/32209062","","","","","","","","","","","","","","","","","","","","AG-389/32209062","","CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=CC=C1F)OC","XFGOCUYZZWYXTR-UHFFFAOYSA-N","383656",NA,"PDBC30545","672074","Present"
-"AG-389/32210037","","","","","","","","","","","","","","","","","","","","AG-389/32210037","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC","WARAZUWQEANOJS-UHFFFAOYSA-N","383572",NA,"PDBC30546","671990","Present"
-"AG-389/32211050","","","","","","","","","","","","","","","","","","","","AG-389/32211050","","CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=CC=C1)P(=O)(OCC(C)C)OCC(C)C","INQYKTFGHQSDRR-UHFFFAOYSA-N","383643",NA,"PDBC30547","672061","Present"
-"AG-389/33008054","","","","","","","","","","","","","","","","","","","","AG-389/33008054","","CCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC","SZSRZXZCOJFVEG-UHFFFAOYSA-N","384766",NA,"PDBC30548","675202","Present"
-"AG-389/33008058","","","","","","","","","","","","","","","","","","","","AG-389/33008058","","CC(C)CC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC","AZZCLSSLIAFDBY-UHFFFAOYSA-N","384767",NA,"PDBC30549","675203","Present"
-"AG-389/33008062","","","","","","","","","","","","","","","","","","","","AG-389/33008062","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C","GKZSWWHNNZBILW-UHFFFAOYSA-N","389159",NA,"PDBC30550","684843","Present"
-"AG-389/33009004","","","","","","","","","","","","","","","","","","","","AG-389/33009004","","CCOC(=O)CC1=CSC(=N1)NC(C(=O)OCC)(C(F)(F)F)NC(=O)OCC","WSMPTSPAEYFOPF-UHFFFAOYSA-N","389146",NA,"PDBC30551","684830","Present"
-"AG-389/33009016","","","","","","","","","","","","","","","","","","","","AG-389/33009016","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C","KLUIQDRJVHIQPX-UHFFFAOYSA-N","384760",NA,"PDBC30552","675196","Present"
-"AG-401/33913004","","","","","","","","","","","","","","","","","","","","AG-401/33913004","","CNC1=NC=C(C(=N1)CN(C)C)C2=NN=NN2C3=CC=CC=C3","PAJWTLWGKRXQNX-UHFFFAOYSA-N","384186",NA,"PDBC30553","673518","Present"
-"AG-536/31403011","","","","","","","","","","","","","","","","","","","","AG-536/31403011","","CC1(OC(C(O1)C(C)(C)O)C(C)(C)O)C","KJORNJHCUSQRDY-UHFFFAOYSA-N","380759",NA,"PDBC30554","666467","Present"
-"AG-690/11351745","","","","","","","","","","","","","","","","","","","","AG-690/11351745","","C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C4C(=O)NC(=O)NC4=O","DOUGKDZIBIQOQP-UHFFFAOYSA-N","360573",NA,"PDBC30555","622706","Present"
-"AG-690/33060035","","","","","","","","","","","","","","","","","","","","AG-690/33060035","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=CC3=CC(=C(C=C32)[N+](=O)[O-])Br","PXIOXYQPNAXNHQ-UHFFFAOYSA-N","373203",NA,"PDBC30556","649170","Present"
-"AG-690/40136330","","","","","","","","","","","","","","","","","","","","AG-690/40136330","","C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=CO3)O","CZBKDUWRJUBULO-UHFFFAOYSA-N","359728",NA,"PDBC30557","621174","Present"
-"AG-785","","","","","","","","","","","","","","","","","","","","AG-785","","CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC3=C(C=C2)NC=C3)C#N","YAKSTXXJGSXXCJ-LDADJPATSA-N","5329273",NA,"PDBC30558","650932","Present"
-"AG542XU5YV","","","","","","","","","","","","","","","","","","","","AG542XU5YV","","COC1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)CCN4CCCC4","ZUQGGIPILNWNRC-UHFFFAOYSA-N","328772",NA,"PDBC30559","308846","Present"
-"AGN-PC-00AQFW","","","","","","","","","","","","","","","","","","","","AGN-PC-00AQFW","","C=C(CN1CCN(CC1)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","MSKFDACWWCUNHV-UHFFFAOYSA-N","11518347",NA,"PDBC30560","735405","Present"
-"AH-034/11364083","","","","","","","","","","","","","","","","","","","","AH-034/11364083","","C1CC2=C(NC1)NC(=S)NC2=O","MEJJJEZOFIJYLD-UHFFFAOYSA-N","899923",NA,"PDBC30561","649161","Present"
-"AH-034/11364491","","","","","","","","","","","","","","","","","","","","AH-034/11364491","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=CC=C3","NJCAMQLQKZHGIJ-DEDYPNTBSA-N","6870815",NA,"PDBC30562","695330","Present"
-"AH-034/11365044","","","","","","","","","","","","","","","","","","","","AH-034/11365044","","CC1=CCC(CC1=NO)C(C)(C)NC(=O)C","JIQLBNCILJHELB-KAMYIIQDSA-N","6517737",NA,"PDBC30563","656382","Present"
-"AH-034/11365300","","","","","","","","","","","","","","","","","","","","AH-034/11365300","","C1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C(=NS(=O)(=O)C3=CC=CC=C3)C(=C2Cl)Cl)Cl)Cl","VVGSNFGJZSFDRC-UHFFFAOYSA-N","291543",NA,"PDBC30564","156845","Present"
-"AHF100437","","","","","","","","","","","","","","","","","","","","AHF100437","","CC1=NC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)O1","SRDWYXCKJXMLMX-XFFZJAGNSA-N","5466798",NA,"PDBC30565","643017","Present"
-"AHF100656","","","","","","","","","","","","","","","","","","","","AHF100656","","CC1=NC(=CC2=CC=CC3=CC=CC=C32)C(=O)O1","SOZGZXBLNWADNY-ZROIWOOFSA-N","5388018",NA,"PDBC30566","630888","Present"
-"AHF101053","","","","","","","","","","","","","","","","","","","","AHF101053","","CC1=NC(=CC2=CC=CC=C2OC)C(=O)O1","HSKVPAFMAZDKCS-YFHOEESVSA-N","5387536",NA,"PDBC30567","624440","Present"
-"AHF102890","","","","","","","","","","","","","","","","","","","","AHF102890","","CC1=NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O1","ABNNCLKVUMXLSZ-POHAHGRESA-N","1810883",NA,"PDBC30568","630890","Present"
-"AHLDICFOVWNWRW-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","AHLDICFOVWNWRW-UHFFFAOYSA-N","","CN1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)C4=CC=C(C=C4)Cl)F","AHLDICFOVWNWRW-UHFFFAOYSA-N","394298",NA,"PDBC30569","697665","Present"
-"AHS-3/51 Azomycin acyclonucleoside","","","","","","","","","","","","","","","","","","","","AHS-3/51 Azomycin acyclonucleoside","","C1=CN(C(=N1)[N+](=O)[O-])COCCO","MXOGOOYEWPLTOB-UHFFFAOYSA-N","363705",NA,"PDBC30570","628865","Present"
-"AJ-030/12105218","","","","","","","","","","","","","","","","","","","","AJ-030/12105218","","CCOC(=O)C1=C2NC(=S)C3=CC=CC=C3N2C=N1","PBOYOUCPKYBSGA-UHFFFAOYSA-N","3004379",NA,"PDBC30571","649152","Present"
-"AJ-030/12105275","","","","","","","","","","","","","","","","","","","","AJ-030/12105275","","C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCNCCO","UFVKJRZLPWTALB-UHFFFAOYSA-N","361689",NA,"PDBC30572","624908","Present"
-"AJ-030/12105382","","","","","","","","","","","","","","","","","","","","AJ-030/12105382","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)CCCCCCCCCCC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","MWIWWYJBDGAYET-UHFFFAOYSA-N","368436",NA,"PDBC30573","639451","Present"
-"AJ-030/12106014","","","","","","","","","","","","","","","","","","","","AJ-030/12106014","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCOC(=O)CCCCCCCCC(=O)OCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","WNTKELPULRKGHI-UHFFFAOYSA-N","368818",NA,"PDBC30574","640086","Present"
-"AJ-077/33270025","","","","","","","","","","","","","","","","","","","","AJ-077/33270025","","C1C2=CC=CC=C2C(=NC3=CC(=CC=C3)[N+](=O)[O-])N1C4=CC(=CC=C4)[N+](=O)[O-]","JVKIXVZIUPLZQK-UHFFFAOYSA-N","376361",NA,"PDBC30575","657193","Present"
-"AJ-333/36116012","","","","","","","","","","","","","","","","","","","","AJ-333/36116012","","CN1C=NC(=C1SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]","WVRCLOQDSRMFMU-UHFFFAOYSA-N","364609",NA,"PDBC30576","631137","Present"
-"AK-087/42718241","","","","","","","","","","","","","","","","","","","","AK-087/42718241","","CC1=CC(=O)OC2=CC(=C(C(=C12)OC)OC(=O)C)OC","GHCXYHOPWWGQAI-UHFFFAOYSA-N","390803",NA,"PDBC30577","688801","Present"
-"AK-245/36639001","","","","","","","","","","","","","","","","","","","","AK-245/36639001","","C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]","FFNUNXSIDBZWLJ-UHFFFAOYSA-N","380438",NA,"PDBC30578","665961","Present"
-"AK-30547","","","","","","","","","","","","","","","","","","","","AK-30547","","CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2Cl","RRCWSLBKLVBFQD-UHFFFAOYSA-N","383961",NA,"PDBC30579","672965","Present"
-"AK-50479","","","","","","","","","","","","","","","","","","","","AK-50479","","CC(C(=O)N(C)OC)NC(=O)OC(C)(C)C","PWQIGBOSLQHOBT-UHFFFAOYSA-N","375613",NA,"PDBC30580","655435","Present"
-"AK-60479","","","","","","","","","","","","","","","","","","","","AK-60479","","CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O","IPSYPUKKXMNCNQ-UHFFFAOYSA-N","393593",NA,"PDBC30581","695672","Present"
-"AK-90640","","","","","","","","","","","","","","","","","","","","AK-90640","","CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O","NZAMQYCOJSWUAO-UHFFFAOYSA-N","382210",NA,"PDBC30582","669668","Present"
-"AK-918/36805037","","","","","","","","","","","","","","","","","","","","AK-918/36805037","","C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)OC(=N2)C3=CC=CO3","UAWZFHZIIAPFLC-FLIBITNWSA-N","837954",NA,"PDBC30583","202006","Present"
-"AK103525","","","","","","","","","","","","","","","","","","","","AK103525","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NCCO","BBOCDRLDMQHWJP-UHFFFAOYSA-N","243943",NA,"PDBC30584","54251","Present"
-"AK117465","","","","","","","","","","","","","","","","","","","","AK117465","","COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O","SIXFVXJMCGPTRB-UHFFFAOYSA-N","380510",NA,"PDBC30585","666125","Present"
-"AK123225","","","","","","","","","","","","","","","","","","","","AK123225","","C1=CSC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=CS4","XGERJWSXTKVPSV-UHFFFAOYSA-N","396294",NA,"PDBC30586","701994","Present"
-"AK130152","","","","","","","","","","","","","","","","","","","","AK130152","","CCOC(=O)C=C1CCC2(CC1)OCCO2","UIWISFUVNHCOBJ-UHFFFAOYSA-N","373318",NA,"PDBC30587","649463","Present"
-"AK155881","","","","","","","","","","","","","","","","","","","","AK155881","","C12=C(C3=NSN=C3C(=C1N=S=N2)Br)Br","JIHWVOHZFVWBMK-UHFFFAOYSA-N","387337",NA,"PDBC30588","681081","Present"
-"AK343347","","","","","","","","","","","","","","","","","","","","AK343347","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)OC","ZAHRDPIWMGLOQJ-UHFFFAOYSA-N","375614",NA,"PDBC30589","655436","Present"
-"AK550028","","","","","","","","","","","","","","","","","","","","AK550028","","C1=NC2=C(N1C3C(C(C(O3)CN)O)O)N=C(NC2=O)N","JUWYSPSHBRXOGR-UHFFFAOYSA-N","135451589",NA,"PDBC30590","108608","Present"
-"ALBB-006676","","","","","","","","","","","","","","","","","","","","ALBB-006676","","C1(=NO[N+](=C1C2=NON=C2N)[O-])C3=NON=C3N","QWYCOYVXFGGHNW-UHFFFAOYSA-N","394430",NA,"PDBC30591","697882","Present"
-"ALBB-007674","","","","","","","","","","","","","","","","","","","","ALBB-007674","","CN1CCC2=C(C1)C3=CC=CC=C3N2","FYHWPFXPFFPQRT-UHFFFAOYSA-N","97424",NA,"PDBC30592","122300","Present"
-"ALBB-012670","","","","","","","","","","","","","","","","","","","","ALBB-012670","","CC1=CC(=CC=C1)C2=NC(=S)NN2","GKJMGRNQNUBUMM-UHFFFAOYSA-N","690371",NA,"PDBC30593","625819","Present"
-"ALBB-012679","","","","","","","","","","","","","","","","","","","","ALBB-012679","","C1=CC(=CN=C1)C2=NC(=S)NN2","GAYWCADKXYCKCG-UHFFFAOYSA-N","717047",NA,"PDBC30594","625812","Present"
-"ALBB-013490","","","","","","","","","","","","","","","","","","","","ALBB-013490","","C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC=CN3","UACMVISDTWGEFG-UHFFFAOYSA-N","353611",NA,"PDBC30595","602336","Present"
-"ALBB-013933","","","","","","","","","","","","","","","","","","","","ALBB-013933","","C1=CC=C2C(=C1)C3=C(N2)NC(=O)NC3=O","SDJWQYSENOMSPV-UHFFFAOYSA-N","387240",NA,"PDBC30596","680815","Present"
-"ALBB-015497","","","","","","","","","","","","","","","","","","","","ALBB-015497","","CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)O)C","HMPAASQVCHUFME-UHFFFAOYSA-N","363671",NA,"PDBC30597","628744","Present"
-"ALBB-015720","","","","","","","","","","","","","","","","","","","","ALBB-015720","","CC(C(=O)O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl","IHPVIWJZZRTWJJ-UHFFFAOYSA-N","363678",NA,"PDBC30598","628750","Present"
-"ALBB-015765","","","","","","","","","","","","","","","","","","","","ALBB-015765","","C1CCC2=C(C1)C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O","RJMGRGVAXQHCTH-UHFFFAOYSA-N","223320",NA,"PDBC30599","10848","Present"
-"ALBB-017551","","","","","","","","","","","","","","","","","","","","ALBB-017551","","C1=CC(=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)O)Cl","BDTDMWIIDULIHT-AUWJEWJLSA-N","734286",NA,"PDBC30600","657008","Present"
-"ALBB-017556","","","","","","","","","","","","","","","","","","","","ALBB-017556","","COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O","WKCCLTCDMHZBDV-NVNXTCNLSA-N","908660",NA,"PDBC30601","657009","Present"
-"ALBB-017564","","","","","","","","","","","","","","","","","","","","ALBB-017564","","C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O","KDGIFQNPGMXJCY-ZSOIEALJSA-N","908584",NA,"PDBC30602","657007","Present"
-"ALBB-018401","","","","","","","","","","","","","","","","","","","","ALBB-018401","","C1=CC=C(C=C1)C2=C(SC(=N2)N)CC(=O)O","DKCCMQRKDKYYCA-UHFFFAOYSA-N","291865",NA,"PDBC30603","157421","Present"
-"ALBB-019440","","","","","","","","","","","","","","","","","","","","ALBB-019440","","CC1=NOC2=C1C(=O)CCC2","NHAMNKMCXOKTLD-UHFFFAOYSA-N","365021",NA,"PDBC30604","631956","Present"
-"ALBB-019443","","","","","","","","","","","","","","","","","","","","ALBB-019443","","C1CCC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC1","YQEBFSMTFJJIKA-UHFFFAOYSA-N","380986",NA,"PDBC30605","666865","Present"
-"ALBB-020191","","","","","","","","","","","","","","","","","","","","ALBB-020191","","C1CNCCC12NC(=O)C3=CC=CC=C3O2","XJHSSTMIDVOYQO-UHFFFAOYSA-N","379969",NA,"PDBC30606","665276","Present"
-"ALBB-021716","","","","","","","","","","","","","","","","","","","","ALBB-021716","","C1=CC=C(C=C1)C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C(C4=CC=CC=C4)O)O","WRLJXZCHZYWTBM-YBOYZMIGSA-N","135434936",NA,"PDBC30607","682578","Present"
-"ALBB-023357","","","","","","","","","","","","","","","","","","","","ALBB-023357","","COC1=CC(=CC(=C1OC)OC)C=C[N+](=O)[O-]","PEPYBEJQAIGLRE-SNAWJCMRSA-N","5354916",NA,"PDBC30608","22597","Present"
-"ALBB-023764","","","","","","","","","","","","","","","","","","","","ALBB-023764","","CN(C)C1=NC(=NC(=N1)N)CCl","WMWUQLMRNQGYEY-UHFFFAOYSA-N","389996",NA,"PDBC30609","686791","Present"
-"ALBB-024940","","","","","","","","","","","","","","","","","","","","ALBB-024940","","C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)Cl","LIBJDHFUUQBZDC-UHFFFAOYSA-N","364724",NA,"PDBC30610","631382","Present"
-"ALBB-026706","","","","","","","","","","","","","","","","","","","","ALBB-026706","","C(CC1=NC(=NN1)N)C2=NC(=NN2)N","RRIQYSBGTNWGDO-UHFFFAOYSA-N","367266",NA,"PDBC30611","636815","Present"
-"ALBB-028726","","","","","","","","","","","","","","","","","","","","ALBB-028726","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)O2","PKMDOGQJFLVZEJ-UVTDQMKNSA-N","1551216",NA,"PDBC30612","73772","Present"
-"ALBB-028776","","","","","","","","","","","","","","","","","","","","ALBB-028776","","C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)O","XGCIVVYTCDKDLC-UHFFFAOYSA-N","145879",NA,"PDBC30613","629423","Present"
-"ALBB-030482","","","","","","","","","","","","","","","","","","","","ALBB-030482","","CC1=NC(=NN1)CC#N","JPJXXDXAJJOQOX-UHFFFAOYSA-N","390144",NA,"PDBC30614","687212","Present"
-"ALOE-EMODIN-GLUCOSIDE","","","","","","","","","","","","","","","","","","","","ALOE-EMODIN-GLUCOSIDE","","","","",NA,"PDBC30615","227187","Present"
-"AM-5992","","","","","","","","","","","","","","","","","","","","AM-5992","","CN(CCO)C1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C5=C(C(=NC=C5)F)N(C4=N3)C6CCCC6","MNCSFNFCKABAFF-UHFFFAOYSA-N","58299817",NA,"PDBC30616","777879","Present"
-"AM-807/12426021","","","","","","","","","","","","","","","","","","","","AM-807/12426021","","COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)OC)N","XQKUGFIWKSKCDL-UHFFFAOYSA-N","399618",NA,"PDBC30617","710527","Present"
-"AM-807/14146364","","","","","","","","","","","","","","","","","","","","AM-807/14146364","","COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N","JHLAWDPVIJAQDB-UHFFFAOYSA-N","399617",NA,"PDBC30618","710526","Present"
-"AM807651","","","","","","","","","","","","","","","","","","","","AM807651","","COC(=O)C1=CC=C(C=C1)C2=NC(=C(O2)N)C#N","QLKBBHCJJXVAKU-UHFFFAOYSA-N","389300",NA,"PDBC30619","685120","Present"
-"AMD-070","","","","","","","","","","","","","","","","","","","","AMD-070","","C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3","WVLHHLRVNDMIAR-IBGZPJMESA-N","11256587",NA,"PDBC30620","775637","Present"
-"AMG-51","","","","","","","","","","","","","","","","","","","","AMG-51","","CN1C(=O)C(=CN=C1NC2=CC=C(C=C2)F)C3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OCCCN6CCOCC6)OC)F","ONSZEUCTVQJHOZ-UHFFFAOYSA-N","11858109",NA,"PDBC30621","794646","Present"
-"AMG-510","","","","","","","","","","","","","","","","","","","","AMG-510","","CC1CN(CCN1C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)O)C5=C(C=CN=C5C(C)C)C)C(=O)C=C","NXQKSXLFSAEQCZ-SFHVURJKSA-N","137278711",NA,"PDBC30622","818433","Present"
-"AMG-511","","","","","","","","","","","","","","","","","","","","AMG-511","","CC1=NC(=NC(=N1)N)C2=C(N=CC(=C2)C(C)N3CCN(CC3)S(=O)(=O)C)NC4=CC(=C(N=C4)OC)F","KUGIFHQBIIHRIZ-CYBMUJFWSA-N","56947516",NA,"PDBC30623","782122","Present"
-"AMG-925","","","","","","","","","","","","","","","","","","","","AMG-925","","CC1CCC(CC1)N2C3=C(C=CN=C3)C4=CN=C(N=C42)NC5=NC6=C(CN(CC6)C(=O)CO)C=C5","BBUVDDPUURMFOX-UHFFFAOYSA-N","60202647",NA,"PDBC30624","781514","Present"
-"AMINOFLAVONE","","","","","","","","","","","","","","","","","","","","AMINOFLAVONE","","CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)N)F","RTUZVPPGTJRELI-UHFFFAOYSA-N","389710",NA,"PDBC30625","686288","Present"
-"AMKA","","","","","","","","","","","","","","","","","","","","AMKA","","CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)N","RJQIZOKNUKRKTP-UHFFFAOYSA-N","390658",NA,"PDBC30626","688265","Present"
-"AMX10183","","","","","","","","","","","","","","","","","","","","AMX10183","","C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=NNC(=S)N)S3","JDTOAGDXWYIGER-WTKPLQERSA-N","135499374",NA,"PDBC30627","657702","Present"
-"AN-068/11853007","","","","","","","","","","","","","","","","","","","","AN-068/11853007","","CC1=CC=C(C=C1)C(=C2C(=O)OC(=N2)C3=CC=CC=C3)C","QFFMBOXLYJKPKE-SSZFMOIBSA-N","1549406",NA,"PDBC30628","330789","Present"
-"AN-068/11854001","","","","","","","","","","","","","","","","","","","","AN-068/11854001","","CN1C(=O)C(=CC2=CC=C(C=C2)OC)N=C1SC","CMNJPCSSBYHLND-FLIBITNWSA-N","1781841",NA,"PDBC30629","709987","Present"
-"AN-308/15495050","","","","","","","","","","","","","","","","","","","","AN-308/15495050","","CC(=O)OC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC(=O)C)OC2=O","LFPNSUWIISXTOM-UHFFFAOYSA-N","384025",NA,"PDBC30630","673135","Present"
-"AN-308/25123036","","","","","","","","","","","","","","","","","","","","AN-308/25123036","","C1=CC(=C(C=C1C=CC(=O)C2=CC(=CC(=C2)O)O)O)O","IMJNGPIIYAZDIH-HNQUOIGGSA-N","5468169",NA,"PDBC30631","665697","Present"
-"AN-584/40178629","","","","","","","","","","","","","","","","","","","","AN-584/40178629","","CC1=CC2=C(C=C1)NC(=C2N=NC(=NC(=O)C)NC(=O)C)O","ZKCYFYQKWPQDDY-UHFFFAOYSA-N","394282",NA,"PDBC30632","697648","Present"
-"AN-689/40796296","","","","","","","","","","","","","","","","","","","","AN-689/40796296","","CN1C2=CC=CC=C2SC1=NC3=CC=C(C=C3)Cl","REKRGCCHFORPEM-UHFFFAOYSA-N","383260",NA,"PDBC30633","671374","Present"
-"AN-689/41741114","","","","","","","","","","","","","","","","","","","","AN-689/41741114","","CCOC(=O)C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2N=CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC","PPWWMEHILXUKFM-MZKVBFHMSA-N","9574762",NA,"PDBC30634","671404","Present"
-"AN-689/41741167","","","","","","","","","","","","","","","","","","","","AN-689/41741167","","C1CCC(CC1)N=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5CCCCC5","TXPDBMSODBCQAQ-UHFFFAOYSA-N","383244",NA,"PDBC30635","671358","Present"
-"AN-689/41741172","","","","","","","","","","","","","","","","","","","","AN-689/41741172","","CN(C)C(=O)N=C1N(C(=NC2=CC=CC=C2)C(=NC3=CC=CC=C3)S1)C4=CC=C(C=C4)[N+](=O)[O-]","ZCBSOWHXFXLHIB-BIAVWRTASA-N","9571487",NA,"PDBC30636","671360","Present"
-"AN-689/41741176","","","","","","","","","","","","","","","","","","","","AN-689/41741176","","CN(C)C(=S)N=C1N(C(=NC2=CC=CC=C2)C(=NC3=CC=CC=C3)S1)C4=CC=C(C=C4)[N+](=O)[O-]","MPICYEOTAFJEMR-BIAVWRTASA-N","9571488",NA,"PDBC30637","671361","Present"
-"AN-689/41741183","","","","","","","","","","","","","","","","","","","","AN-689/41741183","","COC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)OC)SC(=NC(=NC4=CC=CC=C4)SCC5=CC=CC=C5)N2C6=CC=CC=C6","OZGSLLJSNBWCJV-LBMGDAQISA-N","9571489",NA,"PDBC30638","671362","Present"
-"AN-689/41741189","","","","","","","","","","","","","","","","","","","","AN-689/41741189","","CCOC(=O)C1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C(=O)OCC)SC4=NC5=CC=CC=C5N24","YIPAKXVAODDAPV-UHFFFAOYSA-N","381172",NA,"PDBC30639","667502","Present"
-"AN-689/41741191","","","","","","","","","","","","","","","","","","","","AN-689/41741191","","CN(C)C1=CC=C(C=C1)N=C2N=C(C(=NC3=CC=CC=C3)S2)NC4=CC=CC=C4","ZVDZXGJOEJSOLX-UHFFFAOYSA-N","381173",NA,"PDBC30640","667503","Present"
-"AN-689/41741230","","","","","","","","","","","","","","","","","","","","AN-689/41741230","","C1CCC(=O)C(=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5)C1","UQFVZTVHLXGIEC-GYYLHCQHSA-N","1777592",NA,"PDBC30641","671372","Present"
-"AN-689/41741234","","","","","","","","","","","","","","","","","","","","AN-689/41741234","","CC1=C(SC2=C1SC(=NC3=CC=CC=C3)C(=N2)NC4=CC=CC=C4)C(=O)OC","MBINCLXVPMCZDM-UHFFFAOYSA-N","383315",NA,"PDBC30642","671428","Present"
-"AN-689/41741235","","","","","","","","","","","","","","","","","","","","AN-689/41741235","","CC1=CC=C(C=C1)NC2=NC3=C(C4=CC=CC=C4C=C3)OC2=NC5=CC=C(C=C5)C","GSOTZVOLIKXGDS-UHFFFAOYSA-N","383316",NA,"PDBC30643","671429","Present"
-"AN-689/41741274","","","","","","","","","","","","","","","","","","","","AN-689/41741274","","CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=S)C(=O)C5=CC=CC=C5","OOHVOTWGFMNBOX-UHFFFAOYSA-N","383275",NA,"PDBC30644","671389","Present"
-"AN-689/41741276","","","","","","","","","","","","","","","","","","","","AN-689/41741276","","COC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)OC)N(C(=S)N2C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","UMUPUNINBAEZED-UHFFFAOYSA-N","383276",NA,"PDBC30645","671390","Present"
-"AN-689/41741277","","","","","","","","","","","","","","","","","","","","AN-689/41741277","","C1=CC=C(C=C1)C(=O)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=S)C5=CC=C(C=C5)[N+](=O)[O-]","FDTUXDSHYPJUHS-UHFFFAOYSA-N","383277",NA,"PDBC30646","671391","Present"
-"AN-689/41741279","","","","","","","","","","","","","","","","","","","","AN-689/41741279","","C1=CC=C(C=C1)C(=O)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=S)C5=CC=CC=N5","WYXBGZIUFLMIHM-UHFFFAOYSA-N","383278",NA,"PDBC30647","671392","Present"
-"AN-689/41741286","","","","","","","","","","","","","","","","","","","","AN-689/41741286","","CN(C)C(=S)N1C(=NC2=CC=CC=C2)C(=NC3=CC=CC=C3)N(C1=S)C4=CC=CC=C4","NLFNSWMTPUMXMU-UHFFFAOYSA-N","383281",NA,"PDBC30648","671395","Present"
-"AN-689/41741301","","","","","","","","","","","","","","","","","","","","AN-689/41741301","","COC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)OC)N(C(=S)N2C4=CC=C(C=C4)OC)S(=O)(=O)C5=CC=CC=C5","MFRQJFXQNKYWMD-UHFFFAOYSA-N","383282",NA,"PDBC30649","671396","Present"
-"AN-689/41741322","","","","","","","","","","","","","","","","","","","","AN-689/41741322","","COC1=CC=C(C=C1)C(=O)N=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N2C5=CC=CC=C5)C6=CC=CC=C6","JSEDJJGSOXUUEC-UHFFFAOYSA-N","383265",NA,"PDBC30650","671379","Present"
-"AN-689/41741324","","","","","","","","","","","","","","","","","","","","AN-689/41741324","","C1CCC(CC1)N=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N2C5=CC=CC=C5)C6CCCCC6","KRPRBJCVXFXTQL-UHFFFAOYSA-N","383266",NA,"PDBC30651","671380","Present"
-"AN-689/41741331","","","","","","","","","","","","","","","","","","","","AN-689/41741331","","C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=O)N(C4=S)C5=CC=CC=C5","GVIHDHCLWDSPAH-UHFFFAOYSA-N","383269",NA,"PDBC30652","671383","Present"
-"AN-689/41741358","","","","","","","","","","","","","","","","","","","","AN-689/41741358","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC4=CC=CC=C4S2","FMVHAGUFSUOTQL-UHFFFAOYSA-N","383308",NA,"PDBC30653","671421","Present"
-"AN-689/41741368","","","","","","","","","","","","","","","","","","","","AN-689/41741368","","C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2=NC4=CC=CC=C4","OSQWYROEDCNOBF-UHFFFAOYSA-N","383311",NA,"PDBC30654","671424","Present"
-"AN-689/41741371","","","","","","","","","","","","","","","","","","","","AN-689/41741371","","CC1=CC2=C(C=C1)N=C(C(=N2)NC3=CC=CC=C3C)NC4=CC=CC=C4C","VRKOWXRBFVDDTC-UHFFFAOYSA-N","383313",NA,"PDBC30655","671426","Present"
-"AN-967/15488073","","","","","","","","","","","","","","","","","","","","AN-967/15488073","","CC(C)OC1=C(C(=O)C1=O)C2(SCCCS2)C3=CC=CC=C3","LNEKMUXILAEQNF-UHFFFAOYSA-N","394554",NA,"PDBC30656","698099","Present"
-"AN-967/15488138","","","","","","","","","","","","","","","","","","","","AN-967/15488138","","COC1=CC=CC=C1C2(SCCCS2)C3=C(C(=O)C3=O)OC","KJKNNEHSYGWDMA-UHFFFAOYSA-N","394556",NA,"PDBC30657","698101","Present"
-"AN-967/15488305","","","","","","","","","","","","","","","","","","","","AN-967/15488305","","CC1=CC=C(N1C2=CC=CC=C2C3C=CN(C=C3)C(=O)OC(C)(C)C)C","CLOGJUWMHNOZNL-UHFFFAOYSA-N","389260",NA,"PDBC30658","685013","Present"
-"AN-975/13809008","","","","","","","","","","","","","","","","","","","","AN-975/13809008","","C=C(CN1C2=CC=CC=C2C=CC3=CC=CC=C31)Cl","GVINZBGXIHBHST-UHFFFAOYSA-N","402688",NA,"PDBC30659","716874","Present"
-"ANEMONIA SULCATA, BASIC PROTEINASE-INHIBITORS FROM THE","","","","","","","","","","","","","","","","","","","","ANEMONIA SULCATA, BASIC PROTEINASE-INHIBITORS FROM THE","","","","",NA,"PDBC30660","327181","Present"
-"ANEMONIA SULCATA, PROTEINASE INHIBITOR FROM (INHIBITOR #2)","","","","","","","","","","","","","","","","","","","","ANEMONIA SULCATA, PROTEINASE INHIBITOR FROM (INHIBITOR #2)","","","","",NA,"PDBC30661","311148","Present"
-"ANFLIXLNSGXOAS-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ANFLIXLNSGXOAS-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C=CC=C2OCC(CN3C(=O)C4=CC=CC=C4C3=O)O","ANFLIXLNSGXOAS-UHFFFAOYSA-N","382205",NA,"PDBC30662","669665","Present"
-"ANHAXLUSWJFDQE-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ANHAXLUSWJFDQE-UHFFFAOYSA-N","","CC(=O)OC1(N=NC2(O1)CCCCC2)C","ANHAXLUSWJFDQE-UHFFFAOYSA-N","329320",NA,"PDBC30663","311166","Present"
-"ANHYDROBENZOQUINONE, BIS","","","","","","","","","","","","","","","","","","","","ANHYDROBENZOQUINONE, BIS","","CCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)OC3=C(N2C4=CC=C(C=C4)N(C)C)C(=O)C(=C(C3=O)CCCCCCCCCCC)O)O","VJOBOOHGRTUVAG-UHFFFAOYSA-N","259699",NA,"PDBC30664","89850","Present"
-"ANM100741","","","","","","","","","","","","","","","","","","","","ANM100741","","C1=CC(=C(C=C1Cl)[N+](=O)[O-])C=C[N+](=O)[O-]","ATWYJPVTSBKBHB-ONEGZZNKSA-N","5354452",NA,"PDBC30665","10986","Present"
-"ANM102934","","","","","","","","","","","","","","","","","","","","ANM102934","","COC1=C(C=C(C(=C1)C=C[N+](=O)[O-])[N+](=O)[O-])OC","LUCVJGSTUQBGFD-ONEGZZNKSA-N","5705391",NA,"PDBC30666","105307","Present"
-"ANTINEOPLASTIC-114442","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-114442","","CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)[As](=O)(O)O)O)C3=CC=CC=C3","ZOTUZVQXFGIAFG-UHFFFAOYSA-N","271056",NA,"PDBC30667","114442","Present"
-"ANTINEOPLASTIC-117281","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-117281","","C1=CC(=C(C=C1N=NC2=C(N=C(N=C2N)N)N)O)[As](=O)(O)O","KDRNTLJSSMMJLN-UHFFFAOYSA-N","272658",NA,"PDBC30668","117281","Present"
-"ANTINEOPLASTIC-15600","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-15600","","C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3O)O)[As](=O)(O)O)N=NC4=CC(=C(C=C4O)O)[As](=O)(O)O","FJBJBBIFICYJMB-UHFFFAOYSA-N","225809",NA,"PDBC30669","15600","Present"
-"ANTINEOPLASTIC-298841","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-298841","","CC[As](CC)SCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","XOZFDBRVEUXRRA-UHFFFAOYSA-N","326780",NA,"PDBC30670","298841","Present"
-"ANTINEOPLASTIC-400008","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-400008","","C1=CC(=C(C=C1[As](C2=CC(=C(C=C2)O)[N+](=O)[O-])Br)[N+](=O)[O-])O","OMJNTTGUVBGBLD-UHFFFAOYSA-N","343613",NA,"PDBC30671","400008","Present"
-"ANTINEOPLASTIC-624657","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-624657","","","","",NA,"PDBC30672","624657","Present"
-"ANTINEOPLASTIC-624658","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-624658","","","","",NA,"PDBC30673","624658","Present"
-"ANTINEOPLASTIC-624659","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-624659","","","","",NA,"PDBC30674","624659","Present"
-"ANTINEOPLASTIC-625543","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-625543","","","","",NA,"PDBC30675","625543","Present"
-"ANTINEOPLASTIC-633273","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-633273","","","","",NA,"PDBC30676","633273","Present"
-"ANTINEOPLASTIC-638479","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-638479","","COC1=CC=C(C=C1)CC(C#N)C2=CC(=C(C(=C2)OC)OC)OC","SBMZSVIBRCQFRR-UHFFFAOYSA-N","368136",NA,"PDBC30677","638479","Present"
-"ANTINEOPLASTIC-644916","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-644916","","","","",NA,"PDBC30678","644916","Present"
-"ANTINEOPLASTIC-651589","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-651589","","CC(C)C1=NN(C(C1)C2=CC=C(C=C2)Cl)C(CC(=O)C(C)C)C3=CC=C(C=C3)Cl","NBOLRIBMMHCLND-UHFFFAOYSA-N","374135",NA,"PDBC30679","651589","Present"
-"ANTINEOPLASTIC-654376","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-654376","","","","",NA,"PDBC30680","654376","Present"
-"ANTINEOPLASTIC-654379","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-654379","","","","",NA,"PDBC30681","654379","Present"
-"ANTINEOPLASTIC-92577","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-92577","","C1=CC(=CC=C1NC(=O)C2=C(N3C(=NN=N3)N=C2)N)[As](=O)(O)O","CQXQDIQTLLLQSY-UHFFFAOYSA-N","260823",NA,"PDBC30682","92577","Present"
-"AO-040/41077078","","","","","","","","","","","","","","","","","","","","AO-040/41077078","","CSC1=C2CCCCCC2=CC(=N1)C3=NC(=C4CCCCCC4=C3)SC","WZDYMNLTFJEVQX-UHFFFAOYSA-N","397519",NA,"PDBC30683","705817","Present"
-"AO-079/14332005","","","","","","","","","","","","","","","","","","","","AO-079/14332005","","CCOC(=O)N1C2C=C(C(C3N1C(=O)C3C)ON2C(=O)C4=CC=CC=C4)C","IGNFLHPTHATALL-UHFFFAOYSA-N","365482",NA,"PDBC30684","633115","Present"
-"AO-079/14332027","","","","","","","","","","","","","","","","","","","","AO-079/14332027","","CCOC(=O)N1C2C=C(C(C3N1C(=O)C3C)N(O2)C(=O)C4=CC=CC=C4)C","OJTAKJORQOHLEH-UHFFFAOYSA-N","365481",NA,"PDBC30685","633114","Present"
-"AO-240/14587015","","","","","","","","","","","","","","","","","","","","AO-240/14587015","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4=NC5=CC=CC=C5S4","WJMZWTVDTJOJFC-RGEXLXHISA-N","1815886",NA,"PDBC30686","713685","Present"
-"AO-267/15176072","","","","","","","","","","","","","","","","","","","","AO-267/15176072","","CC1=NN(CC1)C2=NC(=NC(=N2)N)CCl","SENXUALRENKBCQ-UHFFFAOYSA-N","389995",NA,"PDBC30687","686789","Present"
-"AO-267/15176074","","","","","","","","","","","","","","","","","","","","AO-267/15176074","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CBr","RWPOJZGGDICCEL-UHFFFAOYSA-N","393944",NA,"PDBC30688","696916","Present"
-"AO-476/14513013","","","","","","","","","","","","","","","","","","","","AO-476/14513013","","CC1=C(C(=C2C=C(C=C(C2=N1)OC)OC)Cl)CCCl","PVOFRFSALKQPSX-UHFFFAOYSA-N","384145",NA,"PDBC30689","673432","Present"
-"AO-476/15509042","","","","","","","","","","","","","","","","","","","","AO-476/15509042","","C1=CC=C(C=C1)C2=C(C(=O)N3C4=CC=CC=C4NC3=C2C#N)N=NC5=CC=C(C=C5)Cl","IOGJGXZBBWUMIC-UHFFFAOYSA-N","395422",NA,"PDBC30690","699958","Present"
-"AO-476/40672106","","","","","","","","","","","","","","","","","","","","AO-476/40672106","","CN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)CCCC4)C#N","UATCTFMTNNUUMP-UHFFFAOYSA-N","364723",NA,"PDBC30691","631381","Present"
-"AO-476/40672119","","","","","","","","","","","","","","","","","","","","AO-476/40672119","","C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=CC(=C5)C(F)(F)F","FHLXZAHRRRIIFQ-UHFFFAOYSA-N","395403",NA,"PDBC30692","699939","Present"
-"AO-476/40672135","","","","","","","","","","","","","","","","","","","","AO-476/40672135","","CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)Cl","AJOOUUVRHNKUBF-UHFFFAOYSA-N","383091",NA,"PDBC30693","671135","Present"
-"AO-476/40672189","","","","","","","","","","","","","","","","","","","","AO-476/40672189","","CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5","YLULRLPADPIIIF-UHFFFAOYSA-N","383096",NA,"PDBC30694","671140","Present"
-"AO-476/40672190","","","","","","","","","","","","","","","","","","","","AO-476/40672190","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCC#N","OEKUOZQJYQDZHW-UHFFFAOYSA-N","383058",NA,"PDBC30695","671102","Present"
-"AO-476/40680759","","","","","","","","","","","","","","","","","","","","AO-476/40680759","","CC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2Cl","QXADQJCWOIEYOS-ZHACJKMWSA-N","5388430",NA,"PDBC30696","635965","Present"
-"AO-476/40829203","","","","","","","","","","","","","","","","","","","","AO-476/40829203","","CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O","NTHPNPZTOAZBEV-UHFFFAOYSA-N","376042",NA,"PDBC30697","656441","Present"
-"AO-476/40921633","","","","","","","","","","","","","","","","","","","","AO-476/40921633","","C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)O)C(=O)N(C2=S)C4=CC=CC=C4","JPWPIMNPAQVILH-UHFFFAOYSA-N","376040",NA,"PDBC30698","656439","Present"
-"AO-476/42169306","","","","","","","","","","","","","","","","","","","","AO-476/42169306","","CC1=NN2C(=O)C3=C(N=C2SC1)SC4=C3CCCC4","RFTLVGJWPYRLLQ-UHFFFAOYSA-N","387514",NA,"PDBC30699","681325","Present"
-"AO-476/42169407","","","","","","","","","","","","","","","","","","","","AO-476/42169407","","C1C(=NN2C(=O)C3=C(N=C2S1)SC(=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl","ZIZDSYFEWBHIIK-UHFFFAOYSA-N","384943",NA,"PDBC30700","675767","Present"
-"AO-476/43380492","","","","","","","","","","","","","","","","","","","","AO-476/43380492","","CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CO3","DZDATXSRPCXDQF-UHFFFAOYSA-N","368866",NA,"PDBC30701","640205","Present"
-"AO-476/43380573","","","","","","","","","","","","","","","","","","","","AO-476/43380573","","CCOC(=O)C1CCC2=C1C(=C(S2)N)C(=O)OCC","KFVIJNDDNWYXSZ-UHFFFAOYSA-N","383361",NA,"PDBC30702","671475","Present"
-"AO-476/43380649","","","","","","","","","","","","","","","","","","","","AO-476/43380649","","CC1=C(SC2=C1C(=O)N3C(=N2)SCC(=N3)C4=CC=C(C=C4)OC)C","QSZBJHDIGJKLFQ-UHFFFAOYSA-N","384940",NA,"PDBC30703","675763","Present"
-"AO-476/43415862","","","","","","","","","","","","","","","","","","","","AO-476/43415862","","CC1=C(N=C(NC1=O)N2C(=O)C(=C(N2)C)CCO)O","GDHUYCXJCDSRLV-UHFFFAOYSA-N","387163",NA,"PDBC30704","680677","Present"
-"AO-476/43415863","","","","","","","","","","","","","","","","","","","","AO-476/43415863","","CC1=C(C(=O)N(N1)C2=NC3=C(CCC3)C(=O)N2)CCO","QABAVMUVVKBDCW-UHFFFAOYSA-N","135409193",NA,"PDBC30705","664722","Present"
-"AO-638/40907134","","","","","","","","","","","","","","","","","","","","AO-638/40907134","","C1=CC2=C(C(=C1)Cl)C(C3=C(C2(C4=CC=CS4)O)C=CC=C3Cl)(C5=CC=CS5)O","OKLRWQCUSWXCEC-UHFFFAOYSA-N","402491",NA,"PDBC30706","716517","Present"
-"AOB6494","","","","","","","","","","","","","","","","","","","","AOB6494","","COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC=CC=C4","SMEJQLRLHKWIFV-UHFFFAOYSA-N","91826517",NA,"PDBC30707","756093","Present"
-"AOCZIGJIXLUOCB-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","AOCZIGJIXLUOCB-UHFFFAOYSA-N","","CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C(=O)OCC)(C(F)(F)F)NC(=O)C4=CC=CC=C4)F)C(=O)O","AOCZIGJIXLUOCB-UHFFFAOYSA-N","384775",NA,"PDBC30708","675211","Present"
-"AOD100912","","","","","","","","","","","","","","","","","","","","AOD100912","","CC1=CC=C(C=C1)NC(=O)CCC2=NN=C(O2)N","DHXRYRUNICDEBU-UHFFFAOYSA-N","366623",NA,"PDBC30709","635298","Present"
-"AOD100951","","","","","","","","","","","","","","","","","","","","AOD100951","","CC1=NC2=CC=CC=C2N1CC3=NN=C(O3)N","VRHRZJXFRDJLHQ-UHFFFAOYSA-N","396633",NA,"PDBC30710","703132","Present"
-"AOH1160","","","","","","","","","","","","","","","","","","","","AOH1160","","C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43","COPRLRLXDBSLET-UHFFFAOYSA-N","126718383",NA,"PDBC30711","785901","Present"
-"AP-013/40848470","","","","","","","","","","","","","","","","","","","","AP-013/40848470","","CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)O1","YBSLINJTEXAWIR-UHFFFAOYSA-N","367663",NA,"PDBC30712","637579","Present"
-"AQ-358/41842922","","","","","","","","","","","","","","","","","","","","AQ-358/41842922","","COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)OC)O)OCC3=CC=CC=C3","NXHJAZOWUGWKMU-PKNBQFBNSA-N","5935211",NA,"PDBC30713","628297","Present"
-"AQ-405/42300332","","","","","","","","","","","","","","","","","","","","AQ-405/42300332","","C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=CC=C4Cl)C#N","XAOLJOPFKCXITG-UHFFFAOYSA-N","363396",NA,"PDBC30714","628299","Present"
-"AQ-776/42801086","","","","","","","","","","","","","","","","","","","","AQ-776/42801086","","CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)S(=O)(=O)C)S(=O)(=O)C4=CC=CC=C4","MZENASMHSLROCL-UHFFFAOYSA-N","396967",NA,"PDBC30715","704204","Present"
-"AQ-776/42801162","","","","","","","","","","","","","","","","","","","","AQ-776/42801162","","C1C2=CC=CC=C2CN3C1=NC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]","LBRLJERWEFMOLH-UHFFFAOYSA-N","392521",NA,"PDBC30716","693037","Present"
-"AQ-776/42801277","","","","","","","","","","","","","","","","","","","","AQ-776/42801277","","C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2)(C4=CC5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)NS(=O)(=O)C7=CC=CC=C7","CUBUZXNHXLGVLY-UHFFFAOYSA-N","392289",NA,"PDBC30717","692423","Present"
-"AQ-776/42801516","","","","","","","","","","","","","","","","","","","","AQ-776/42801516","","C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)C(F)(F)F)O","RCUBJVBTFOLMQT-UHFFFAOYSA-N","398323",NA,"PDBC30718","708037","Present"
-"AQ-776/42801543","","","","","","","","","","","","","","","","","","","","AQ-776/42801543","","CCON1CC(=C(C1=O)O)C(=O)OC","IZGSKVUPTAFAKP-UHFFFAOYSA-N","54680385",NA,"PDBC30719","694112","Present"
-"AQ-776/42801554","","","","","","","","","","","","","","","","","","","","AQ-776/42801554","","CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)Br","BUNKLDSLDJHWNF-UHFFFAOYSA-N","392536",NA,"PDBC30720","693052","Present"
-"AQ-776/42801608","","","","","","","","","","","","","","","","","","","","AQ-776/42801608","","COC1=CC2=C(C=C1)NC(=C2)C(CC3=CN=CC=C3)(CC4=CN=CC=C4)O","TWDFZWIOFZVKEX-UHFFFAOYSA-N","393321",NA,"PDBC30721","694986","Present"
-"AQ-776/42801638","","","","","","","","","","","","","","","","","","","","AQ-776/42801638","","COC1=CC2=C(C=C1)C(=C(N2)C(=O)O)CCN","BMXXBEUPHOWECR-UHFFFAOYSA-N","397008",NA,"PDBC30722","704244","Present"
-"AQ-776/42801773","","","","","","","","","","","","","","","","","","","","AQ-776/42801773","","CCOC(=O)C1=CC(=C(N1C)C2=CC(=NO2)C)I","RLDDOOILKIVGEU-UHFFFAOYSA-N","392532",NA,"PDBC30723","693048","Present"
-"AQ-911/41961828","","","","","","","","","","","","","","","","","","","","AQ-911/41961828","","C1=CC(=C(C=C1Cl)Cl)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O","CQWCZKKNYNJFOQ-UHFFFAOYSA-N","366719",NA,"PDBC30724","635436","Present"
-"AQ-911/41961839","","","","","","","","","","","","","","","","","","","","AQ-911/41961839","","C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O)Cl","IRLUUOKUJMDTAG-UHFFFAOYSA-N","366720",NA,"PDBC30725","635437","Present"
-"AQ-911/41962127","","","","","","","","","","","","","","","","","","","","AQ-911/41962127","","C1=CC=C(C(=C1)NC(=O)CCC2=NC(=S)NN2)Cl","MITMIRKANUUKLD-UHFFFAOYSA-N","852529",NA,"PDBC30726","635540","Present"
-"AQ-911/41963430","","","","","","","","","","","","","","","","","","","","AQ-911/41963430","","COC1=CC=C(C=C1)C(=NNC(=O)N)CC2C3=CC=CC=C3C(=O)O2","BTEQIWOOAIBYES-HKWRFOASSA-N","9555895",NA,"PDBC30727","647603","Present"
-"AQ-911/41964338","","","","","","","","","","","","","","","","","","","","AQ-911/41964338","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4OC","BOGCUJNHMNTNJH-UHFFFAOYSA-N","361073",NA,"PDBC30728","623877","Present"
-"AQ-911/41964346","","","","","","","","","","","","","","","","","","","","AQ-911/41964346","","COCCCNC(=O)C1C(=O)C(=O)N(C1=O)CCCOC","MSJCGAASNHOONL-UHFFFAOYSA-N","361075",NA,"PDBC30729","623880","Present"
-"AQ-911/42282615","","","","","","","","","","","","","","","","","","","","AQ-911/42282615","","C1=CC(=C(C=C1Cl)Cl)CSCC2=C(C=C(C=C2)Cl)Cl","OSXGEIHFRWKWMQ-UHFFFAOYSA-N","223826",NA,"PDBC30730","11850","Present"
-"AR-685/11571500","","","","","","","","","","","","","","","","","","","","AR-685/11571500","","COC1=CC=CC(=C1OC)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","UVIGPWQADGJLAG-RMKNXTFCSA-N","7720068",NA,"PDBC30731","736578","Present"
-"AR-685/40364930","","","","","","","","","","","","","","","","","","","","AR-685/40364930","","C1=CSC(=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","VTGXROIWNWMNKF-GQCTYLIASA-N","8858308",NA,"PDBC30732","733134","Present"
-"AR-685/43306209","","","","","","","","","","","","","","","","","","","","AR-685/43306209","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=C(C=C2Cl)Cl)F","FUPRFHKOAGSTLA-SNAWJCMRSA-N","9448385",NA,"PDBC30733","736591","Present"
-"AR-685/43306214","","","","","","","","","","","","","","","","","","","","AR-685/43306214","","C1=COC(=C1)C=CC(=O)C2=CC(=C(C=C2Cl)Cl)F","UJMPMBRVEDWYHI-ONEGZZNKSA-N","11842502",NA,"PDBC30734","736594","Present"
-"AR-685/43306228","","","","","","","","","","","","","","","","","","","","AR-685/43306228","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)SC","RYNQDMYNQOFGJT-BJMVGYQFSA-N","16044723",NA,"PDBC30735","733149","Present"
-"AR-685/43306239","","","","","","","","","","","","","","","","","","","","AR-685/43306239","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)SC)OC","AREMRVYTBWASKC-ONNFQVAWSA-N","11842505",NA,"PDBC30736","733153","Present"
-"AR-685/43306246","","","","","","","","","","","","","","","","","","","","AR-685/43306246","","COC1=CC=CC(=C1OC)C=CC(=O)C2=CC=C(C=C2)SC","WPVLMUBZJGDVJD-FMIVXFBMSA-N","11842507",NA,"PDBC30737","733157","Present"
-"AR-685/43306280","","","","","","","","","","","","","","","","","","","","AR-685/43306280","","C1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)F","BPHUCTYBRVDPGG-UHFFFAOYSA-N","3364434",NA,"PDBC30738","734512","Present"
-"AR-685/43306289","","","","","","","","","","","","","","","","","","","","AR-685/43306289","","CSC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2Cl","CWZSALSXZKSLRA-DHZHZOJOSA-N","11842511",NA,"PDBC30739","733145","Present"
-"AR-685/43307761","","","","","","","","","","","","","","","","","","","","AR-685/43307761","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC=CC=C3OC","GLOQWBOAQSMSKV-ZRDIBKRKSA-N","16004656",NA,"PDBC30740","733144","Present"
-"AR-685/43307762","","","","","","","","","","","","","","","","","","","","AR-685/43307762","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC(=CC=C3)OC","GGQNSEKBLAIFSQ-IZZDOVSWSA-N","7947309",NA,"PDBC30741","729974","Present"
-"AR-685/43307765","","","","","","","","","","","","","","","","","","","","AR-685/43307765","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","IKVLEJHXISCRHT-BJMVGYQFSA-N","6214002",NA,"PDBC30742","729530","Present"
-"AR-685/43307772","","","","","","","","","","","","","","","","","","","","AR-685/43307772","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC=CO3","QRJAJPBPJLEPCJ-CMDGGOBGSA-N","16044754",NA,"PDBC30743","729532","Present"
-"AR-685/43307781","","","","","","","","","","","","","","","","","","","","AR-685/43307781","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=C(C(=CC=C3)OC)OC","VZFVGMQFNWHMSO-ZRDIBKRKSA-N","8108844",NA,"PDBC30744","733142","Present"
-"AR-685/43307786","","","","","","","","","","","","","","","","","","","","AR-685/43307786","","COC1=CC=CC=C1N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","BISZVUFVGUNKSI-UHFFFAOYSA-N","396384",NA,"PDBC30745","702337","Present"
-"AR-685/43307788","","","","","","","","","","","","","","","","","","","","AR-685/43307788","","COC1=CC=C(C=C1)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","BAHRKLJWKUVIAV-UHFFFAOYSA-N","396389",NA,"PDBC30746","702342","Present"
-"AR-685/43362993","","","","","","","","","","","","","","","","","","","","AR-685/43362993","","COC1=CC(=C(C=C1)OC)C=CC(=O)C2=CC=C(C=C2)SC","IWLVKWLYIZMCMA-UXBLZVDNSA-N","11842566",NA,"PDBC30747","733154","Present"
-"ARONIS002269","","","","","","","","","","","","","","","","","","","","ARONIS002269","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]","HHJYHWPKXWRLIE-UHFFFAOYSA-N","3776068",NA,"PDBC30748","116536","Present"
-"ARONIS017815","","","","","","","","","","","","","","","","","","","","ARONIS017815","","CC1=CC=C(C=C1)NC(=S)N=NC2=C(NC3=CC=CC=C32)O","RBMZNGCBFOXSBC-UHFFFAOYSA-N","707890",NA,"PDBC30749","668502","Present"
-"ARONIS017818","","","","","","","","","","","","","","","","","","","","ARONIS017818","","CC1=CC(=CC=C1)NC(=S)N=NC2=C(NC3=CC=CC=C32)O","HIEKGGIFSRYTJJ-UHFFFAOYSA-N","772848",NA,"PDBC30750","668501","Present"
-"ARONIS017955","","","","","","","","","","","","","","","","","","","","ARONIS017955","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)O)O","PMJGWWMIDKKJOA-REZTVBANSA-N","135455583",NA,"PDBC30751","617581","Present"
-"ARONIS018122","","","","","","","","","","","","","","","","","","","","ARONIS018122","","CC1=C(C2=CC=CC=C2N1)C=NNC(=O)C3=CC(=CC=C3)I","IPZDQWCCHSPUGY-VXLYETTFSA-N","135436292",NA,"PDBC30752","717570","Present"
-"ARONIS022268","","","","","","","","","","","","","","","","","","","","ARONIS022268","","CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC","WUDTVMSBDXPXSY-UHFFFAOYSA-N","391236",NA,"PDBC30753","690133","Present"
-"ARQ monoacetate","","","","","","","","","","","","","","","","","","","","ARQ monoacetate","","CC(=O)OC1=C(C(=O)C(=C(C1=O)C2=CN(C3=CC=CC=C32)C(C)(C)C=C)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C","UGDNNEPDNMTIIF-UHFFFAOYSA-N","385441",NA,"PDBC30754","676676","Present"
-"ARQ-621","","","","","","","","","","","","","","","","","","","","ARQ-621","","C#CCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1NC3=CC=CC=C3)N(CCCN)C(=O)C4=C(C(=CC=C4)Cl)F","UPJSUQWHUVLLNW-XMMPIXPASA-N","25110841",NA,"PDBC30755","771644","Present"
-"ARQ-680","","","","","","","","","","","","","","","","","","","","ARQ-680","","CN1C=CC(=N1)S(=O)(=O)N2CCCC(C2)NC3=NC=CC(=N3)C4=C(N=C5N4C=CO5)C6=CC(=CC=C6)O","NSMKGFAMLZCLIG-KRWDZBQOSA-N","155813556",NA,"PDBC30756","764765","Present"
-"ARS-1620","","","","","","","","","","","","","","","","","","","","ARS-1620","","C=CC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)C4=C(C=CC=C4F)O)F","ZRPZPNYZFSJUPA-UHFFFAOYSA-N","137003167",NA,"PDBC30757","812172","Present"
-"ARSINE, DICHLORO(m-NITROPHENYL)-","","","","","","","","","","","","","","","","","","","","(3-nitrophenyl)arsonous dichloride","","C1=CC(=CC(=C1)[As](Cl)Cl)[N+](=O)[O-]","OVXJYMMNEZNCEF-UHFFFAOYSA-N","22753",NA,"PDBC30758","41658","Present"
-"ARTENIMOL","","","","","","","","","","","","","","","","","","","","ARTENIMOL","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C","BJDCWCLMFKKGEE-SUZORCHOSA-N","11832956",NA,"PDBC30759","758682","Present"
-"ARV-825","","","","","","","","","","","","","","","","","","","","ARV-825","","CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)OCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C8=CC=C(C=C8)Cl)C","RWLOGRLTDKDANT-TYIYNAFKSA-N","92044400",NA,"PDBC30760","789043","Present"
-"ARYQUDZGCDBUOR-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ARYQUDZGCDBUOR-UHFFFAOYSA-N","","CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl","ARYQUDZGCDBUOR-UHFFFAOYSA-N","341910",NA,"PDBC30761","376353","Present"
-"AS-40613","","","","","","","","","","","","","","","","","","","","AS-40613","","C1C(=O)NC2=C(S1)C=C(C=C2)[N+](=O)[O-]","OOICZQBVVODNDJ-UHFFFAOYSA-N","370121",NA,"PDBC30762","642713","Present"
-"AS-58580","","","","","","","","","","","","","","","","","","","","AS-58580","","CCOC(=O)C1=CC(=O)N(C(=O)N1C)C","PPASXNXFADOELD-UHFFFAOYSA-N","362785",NA,"PDBC30763","627062","Present"
-"AS-68663","","","","","","","","","","","","","","","","","","","","AS-68663","","C1=CC=C(C=C1)CC2=NNC(=O)N2","BWVIJZMNBPNLNG-UHFFFAOYSA-N","135452703",NA,"PDBC30764","678390","Present"
-"AS-8071","","","","","","","","","","","","","","","","","","","","AS-8071","","C1=CC(=C(C=C1C2=CSC(=N2)N)[N+](=O)[O-])Cl","ZPUHVFRPRSFXEG-UHFFFAOYSA-N","359463",NA,"PDBC30765","620328","Present"
-"ASMZQCLUQZYHPS-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ASMZQCLUQZYHPS-UHFFFAOYSA-N","","C1CC2=C3C(=CC=C2)C(=O)C(C(=O)N3C1)(C4=CC=CC=C4)N=[N+]=[N-]","ASMZQCLUQZYHPS-UHFFFAOYSA-N","375213",NA,"PDBC30766","654611","Present"
-"ASP-3026","","","","","","","","","","","","","","","","","","","","ASP-3026","","CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC","MGGBYMDAPCCKCT-UHFFFAOYSA-N","25134326",NA,"PDBC30767","765865","Present"
-"ASP-5878","","","","","","","","","","","","","","","","","","","","ASP-5878","","COC1=CC(=C(C(=C1F)COC2=CN=C(N=C2)NC3=CN(N=C3)CCO)F)OC","VDZZYOJYLLNBTD-UHFFFAOYSA-N","71736582",NA,"PDBC30768","793677","Present"
-"ASTX-660","","","","","","","","","","","","","","","","","","","","ASTX-660","","CC1CN(C(CN1)CN2CCOCC2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C","YCXOHEXZVKOGEV-DNRQZRRGSA-N","118169620",NA,"PDBC30769","804861","Present"
-"AT 116, benzylamine salt","","","","","","","","","","","","","","","","","","","","at 116, benzylamine salt","","CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)O.C1=CC=C(C=C1)CN","IFBNAVDXUJSDEH-UHFFFAOYSA-N","282523",NA,"PDBC30770","136037","Present"
-"AT-051/43421344","","","","","","","","","","","","","","","","","","","","AT-051/43421344","","CN(C)C1=C(C=C(C(=C1)OC)C=C2C=CC=C2)OC","QTAGYSMBABXFNS-UHFFFAOYSA-N","256313",NA,"PDBC30771","83085","Present"
-"AT-417/43484827","","","","","","","","","","","","","","","","","","","","AT-417/43484827","","CC1=NN(C(=O)C1=C2SCCS2)C3=CC=CC=C3","UXLPBHIVTDXRPX-UHFFFAOYSA-N","370534",NA,"PDBC30772","643761","Present"
-"AT-417/43484896","","","","","","","","","","","","","","","","","","","","AT-417/43484896","","CC1=NN(C(=O)C1=C2SCCCS2)C3=CC=CC=C3","GFFBAHGKYOTDCD-UHFFFAOYSA-N","370535",NA,"PDBC30773","643762","Present"
-"ATM-3507 3HCl","","","","","","","","","","","","","","","","","","","","ATM-3507 3HCl","","CC1=C(N(C2=C1C=C(C=C2)OC3=CC=CC(=C3)C(=O)N4CCN(CC4)CCC5=CC=C(C=C5)F)CCCN6CCN(CC6)C)C","FNEHSJQRIWHZKS-UHFFFAOYSA-N","118666864",NA,"PDBC30774","824722","Present"
-"ATRN-117","","","","","","","","","","","","","","","","","","","","ATRN-117","","CN1CCOCCOCCOC2=CC=CC=C2NC(=O)C3=NC(=CN=C3N)C4=CC=C(S1(=O)=O)C=C4","LXUQXAQHXDJMGV-UHFFFAOYSA-N","121276199",NA,"PDBC30775","782895","Present"
-"ATRN-119","","","","","","","","","","","","","","","","","","","","ATRN-119","","CNCC1=C2C(=CC=C1)NC(=O)C3=NC(=CN=C3N)C4=CC=C(C=C4)S(=O)(=O)N(CCOCCOCCO2)C","UEOXMKFLURTGRW-UHFFFAOYSA-N","121276198",NA,"PDBC30776","782896","Present"
-"AU 133","","","","","","","","","","","","","","","","","","","","AU 133","","CCCC(C(=O)O)SC1=NC(=NC2=C1NC=N2)N","MWLGNPMKQJTFKH-UHFFFAOYSA-N","5059922",NA,"PDBC30777","39329","Present"
-"AU 135","","","","","","","","","","","","","","","","","","","","AU 135","","C1=CC=C(C=C1)CCSC2=NC(=NC3=C2NC=N3)N","PAAAKNYXXIVNCJ-UHFFFAOYSA-N","943044",NA,"PDBC30778","35866","Present"
-"AV-412 free base","","","","","","","","","","","","","","","","","","","","AV-412","","CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C","ZAJXXUDARPGGOC-UHFFFAOYSA-N","9806229",NA,"PDBC30779","799340","Present"
-"AW-15'1129","","","","","","","","","","","","","","","","","","","","AW-15'1129","","C1CN2C(NC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)Cl","HSZXGIDMRWNJCF-UHFFFAOYSA-N","211824",NA,"PDBC30780","718514","Present"
-"AWD 625","","","","","","","","","","","","","","","","","","","","AWD 625","","CCN(CC)C1=NC2=C(C(=N1)NC3CCCCC3)N=C(N=C2NC4CCCCC4)N(CC)CC","AQOQDBAUPSLZOM-UHFFFAOYSA-N","122673",NA,"PDBC30781","292238","Present"
-"AWD 627","","","","","","","","","","","","","","","","","","","","AWD 627","","CCN(C)C1=NC(=NC2=C1N=C(N=C2N(C)CC)N(C)CC)N(C)CC","ZLASRPSWRRDUFI-UHFFFAOYSA-N","324983",NA,"PDBC30782","292239","Present"
-"AX 3","","","","","","","","","","","","","","","","","","","","AX 3","","C1=NC2=C(N1)C(=NC=N2)SCC(CO)O","OPKFIKAYNXEJQA-UHFFFAOYSA-N","3579846",NA,"PDBC30783","39332","Present"
-"AX 56","","","","","","","","","","","","","","","","","","","","AX 56","","C1CC(OC1)N2C=NC3=C2NC=NC3=S","DXIBRFHEZZOPFH-UHFFFAOYSA-N","3000792",NA,"PDBC30784","45153","Present"
-"AX8255763","","","","","","","","","","","","","","","","","","","","AX8255763","","CC(=O)OCC1C(CC2C1CC(=O)O2)OC(=O)C","DOCCMIOGWPGCIS-CHWFTXMASA-N","363762",NA,"PDBC30785","628967","Present"
-"AX8285098","","","","","","","","","","","","","","","","","","","","AX8285098","","CSC1=NC(=NC2=NNC(=C21)C#N)SC","SVLQUQCDCSMQIR-UHFFFAOYSA-N","373213",NA,"PDBC30786","649180","Present"
-"AXLRKQHOEWAMSP-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","AXLRKQHOEWAMSP-UHFFFAOYSA-N","","CC1=CC=C(C=C1)S(=O)(=O)N2C=NC=C2COC(=O)C","AXLRKQHOEWAMSP-UHFFFAOYSA-N","382152",NA,"PDBC30787","669598","Present"
-"AYFQZGKBCJUBOZ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","AYFQZGKBCJUBOZ-UHFFFAOYSA-N","","CC(C)(C)OC(=O)NCCC(=O)NC1(CCCCC1)C2=CC3=CC=CC=C3S2","AYFQZGKBCJUBOZ-UHFFFAOYSA-N","398379",NA,"PDBC30788","708092","Present"
-"AZ-505","","","","","","","","","","","","","","","","","","","","AZ-505","","C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl","LIBVHXXKHSODII-UHFFFAOYSA-N","24961094",NA,"PDBC30789","780404","Present"
-"AZ12672857","","","","","","","","","","","","","","","","","","","","AZ12672857","","CN(C1=NC(=NC=C1)NC2=CC(=CC(=C2)N3CCOCC3)N4CCOCC4)C5=CC=CC6=C5C=NN6","QLFGDTPACJHLRY-UHFFFAOYSA-N","49831162",NA,"PDBC30790","828852","Present"
-"AZD-0156","","","","","","","","","","","","","","","","","","","","AZD-0156","","CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4CCOCC4)C5=CN=C(C=C5)OCCCN(C)C","AOTRIQLYUAFVSC-UHFFFAOYSA-N","118502708",NA,"PDBC30791","792956","Present"
-"AZD-0364","","","","","","","","","","","","","","","","","","","","AZD-0364","","CC1=CN=C(N=C1C2=CN3CC(N(C(=O)C3=N2)CC4=CC(=C(C=C4)F)F)COC)NC5=CC=NN5C","HVIGNZUDBVLTLU-MRXNPFEDSA-N","129116690",NA,"PDBC30792","808790","Present"
-"AZD-1390","","","","","","","","","","","","","","","","","","","","AZD-1390","","CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCCN5CCCCC5)F)N(C1=O)C","VQSZIPCGAGVRRP-UHFFFAOYSA-N","126689157",NA,"PDBC30793","803789","Present"
-"AZD-3147","","","","","","","","","","","","","","","","","","","","AZD-3147","","CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C4CC4)C5=CC=C(C=C5)NC(=S)NCCO","JWGVUDPAMQEIJU-INIZCTEOSA-N","25168990",NA,"PDBC30794","784815","Present"
-"AZD-3965","","","","","","","","","","","","","","","","","","","","AZD-3965","","CC1=C(C(=NN1)C(F)(F)F)CC2=C(C3=C(S2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4CC(CO4)(C)O","PRNXOFBDXNTIFG-FQEVSTJZSA-N","10369242",NA,"PDBC30795","787047","Present"
-"AZD-4320","","","","","","","","","","","","","","","","","","","","AZD-4320","","CN(CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)C(C5=CC=CC=C5C6=CC=C(C=C6)Cl)O)S(=O)(=O)C(F)(F)F)CCO","UNEJSHNDABUZNY-UJNHCCGESA-N","86661883",NA,"PDBC30796","812728","Present"
-"AZD-4573","","","","","","","","","","","","","","","","","","","","AZD-4573","","CC(=O)NC1CCCC(C1)C(=O)NC2=NC=C(C(=C2)C3=C4CC(CN4N=C3)(C)C)Cl","AVIWDYSJSPOOAR-LSDHHAIUSA-N","124155204",NA,"PDBC30797","816554","Present"
-"AZD-4635","","","","","","","","","","","","","","","","","","","","AZD-4635","","CC1=CC(=CC(=N1)Cl)C2=C(N=C(N=N2)N)C3=CC=C(C=C3)F","NCWQLHHDGDXIJN-UHFFFAOYSA-N","86676119",NA,"PDBC30798","802101","Present"
-"AZD-5069","","","","","","","","","","","","","","","","","","","","AZD-5069","","CC(C(CO)O)OC1=NC(=NC(=C1)NS(=O)(=O)N2CCC2)SCC3=C(C(=CC=C3)F)F","QZECRCLSIGFCIO-RISCZKNCSA-N","56645576",NA,"PDBC30799","802548","Present"
-"AZD-7648","","","","","","","","","","","","","","","","","","","","AZD-7648","","CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCOCC5","XISVSTPEXYIKJL-UHFFFAOYSA-N","135151360",NA,"PDBC30800","817043","Present"
-"AZD-9496","","","","","","","","","","","","","","","","","","","","AZD-9496","","CC1CC2=C(C(N1CC(C)(C)F)C3=C(C=C(C=C3F)C=CC(=O)O)F)NC4=CC=CC=C24","DFBDRVGWBHBJNR-BBNFHIFMSA-N","86287635",NA,"PDBC30801","786959","Present"
-"AZIRIDINYL BENZOQUINONE","","","","","","","","","","","","","","","","","","","","AZIRIDINYL BENZOQUINONE","","C1CN1C2=C(C(=O)C(=C(C2=O)NCCO)N3CC3)NCCO","MXNZCIQNSJMZST-UHFFFAOYSA-N","124693",NA,"PDBC30802","224070","Present"
-"Ab-Dichloro-ce-dihydroxy-df-bis(isopropylamine)platinum","","","","","","","","","","","","","","","","","","","","CHIP","","CC(C)[NH-].CC(C)[NH-].O.O.Cl[Pt+2]Cl","BVIQRWGFXPAYEV-UHFFFAOYSA-L","429536",NA,"PDBC30803","256927","Present"
-"Abietane Diterpenoid Family","","","","","","","","","","","","","","","","","","","","Abietane Diterpenoid Family","","CC(C)C1=CC(=O)C2=C(C1=O)C(CC3C2(CCCC3(C)C)C)OC(=O)C","VYNWSFNBGNYRNY-CSZIGFGKSA-N","155814108",NA,"PDBC30804","799223","Present"
-"Abietic acid","","","","","","","","","","","","","","","","","","","","abietate","","CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C","RSWGJHLUYNHPMX-ONCXSQPRSA-N","10569",NA,"PDBC30805","25149","Present"
-"Abraxane (Nanoparticle albumin-bound paclitaxel)","","","","","","","","","","","","","","","","","","","","Abraxane (Nanoparticle albumin-bound paclitaxel)","","","","",NA,"PDBC30806","787955","Present"
-"Ac-AP","","","","","","","","","","","","","","","","","","","","Ac-AP","","CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C","ODBWVLWCHVMSKO-UHFFFAOYSA-N","16134277",NA,"PDBC30807","705568","Present"
-"Ac-Ala-Lys(PO3Et2)-Val-OEt","","","","","","","","","","","","","","","","","","","","Ac-Ala-Lys(PO3Et2)-Val-OEt","","CCOC(=O)C(C(C)C)NC(=O)C(CCCCNP(=O)(OCC)OCC)NC(=O)C(C)NC(=O)C","NSLRJXLINGVTRI-UHFFFAOYSA-N","386661",NA,"PDBC30808","679187","Present"
-"Acacic acid lactone","","","","","","","","","","","","","","","","","","","","Acasic acid lactone","","CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C26CC1OC6=O)O)C)C)(C)C)O)C)C","GVUMSYCSEREXHD-BHUKMDKLSA-N","6712546",NA,"PDBC30809","696123","Present"
-"Acalabrutinib","","","","","","","","","","","","","","","","","","","","Acalabrutinib","","CC#CC(=O)N1CCCC1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5","WDENQIQQYWYTPO-IBGZPJMESA-N","71226662",NA,"PDBC30810","791164","Present"
-"Acalyphin","","","","","","","","","","","","","","","","","","","","Acalyphin","","CN1C(C(C(=CC1=O)OC)(C#N)OC2C(C(C(C(O2)CO)O)O)O)O","QZRKNNXRNBTODR-UHFFFAOYSA-N","435918",NA,"PDBC30811","378984","Present"
-"Aceanthryleno[1, 12-nitro-","","","","","","","","","","","","","","","","","","","","Aceanthryleno[1,2-b]quinoxaline, 12-nitro-","","C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=NC6=C(C=CC(=C6)[N+](=O)[O-])N=C45","VYGXGLDGKWWWNU-UHFFFAOYSA-N","395928",NA,"PDBC30812","701023","Present"
-"Aceclidine","","","","","","","","","","","","","","","","","","","","3-Acetoxyquinuclidine","","CC(=O)OC1CN2CCC1CC2","WRJPSSPFHGNBMG-UHFFFAOYSA-N","1979",NA,"PDBC30813","657843","Present"
-"Acedapsone","","","","","","","","","","","","","","","","","","","","dadds","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C","AMTPYFGPPVFBBI-UHFFFAOYSA-N","6477",NA,"PDBC30814","218125","Present"
-"Acenaphtho(1,2-b)quinoxaline, 7,12-dioxide","","","","","","","","","","","","","","","","","","","","Acenaphtho[1,2-b]quinoxaline, 7,12-dioxide","","C1=CC=C2C(=C1)N(C3=C([N+]2=O)C4=CC=CC5=C4C3=CC=C5)[O-]","ZWFRYWBKBPEWTP-UHFFFAOYSA-N","246787",NA,"PDBC30815","60309","Present"
-"Acenilacrone","","","","","","","","","","","","","","","","","","","","Acenilacrone","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O","VKIRZVBAJJKUJH-UHFFFAOYSA-N","364459",NA,"PDBC30816","630720","Present"
-"Acetamide, 2,2'-[(aminocarbonyl)imino]bis-","","","","","","","","","","","","","","","","","","","","2-[(2-Amino-2-oxo-ethyl)-carbamoyl-amino]acetamide","","C(C(=O)N)N(CC(=O)N)C(=O)N","FGJPYGSRMDAXHZ-UHFFFAOYSA-N","373584",NA,"PDBC30817","650037","Present"
-"Acetamide, 2,2'-[[(methylamino)carbonyl]imino]bis[N-methyl-","","","","","","","","","","","","","","","","","","","","N-Methyl-2-[[2-(methylamino)-2-oxo-ethyl]-(methylcarbamoyl)amino]acetamide","","CNC(=O)CN(CC(=O)NC)C(=O)NC","FIEKXZQMOLTGJK-UHFFFAOYSA-N","373587",NA,"PDBC30818","650040","Present"
-"Acetamide, 2,2,2-trichloro-N-(3,4-dihydro-4-methyl-3-oxo-2-quinoxalinyl)-","","","","","","","","","","","","","","","","","","","","2,2,2-Trichloro-N-(4-methyl-3-oxoquinoxalin-2-yl)acetamide","","CN1C2=CC=CC=C2N=C(C1=O)NC(=O)C(Cl)(Cl)Cl","OZXJHKNHDBAQEU-UHFFFAOYSA-N","370370",NA,"PDBC30819","643435","Present"
-"Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-2,4-bis(1-piperazinylmethyl)-3-thioxo-1,2,4-triazin-6-yl)phenyl)-","","","","","","","","","","","","","","","","","","","","2,4-Di(piperazinylmethyl)-3-thioxo-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)-one","","C1CN(CCN1)CN2C(=O)C(=NN(C2=S)CN3CCNCC3)C4=CC=CC=C4NC(=O)C(F)(F)F","OHPXJIBYAMBDJM-UHFFFAOYSA-N","360752",NA,"PDBC30820","623091","Present"
-"Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-","","","","","","","","","","","","","","","","","","","","Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-","","C1=CC=C(C(=C1)C2=NNC(=S)NC2=O)NC(=O)C(F)(F)F","OZQNVCWAOORAGI-UHFFFAOYSA-N","3000331",NA,"PDBC30821","623086","Present"
-"Acetamide, 2,2,2-trifluoro-N-[3-[(4-methylphenyl)sulfonyl]-2-thienyl]-","","","","","","","","","","","","","","","","","","","","Acetamide, 2,2,2-trifluoro-N-[3-[(4-methylphenyl)sulfonyl]-2-thienyl]-","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C(F)(F)F","HPIQVYVAEILVHL-UHFFFAOYSA-N","392836",NA,"PDBC30822","693814","Present"
-"Acetamide, 2-(trimethylsilyl)-","","","","","","","","","","","","","","","","","","","","MDQHTWMXYBVSHU-UHFFFAOYSA-N","","C[Si](C)(C)CC(=O)N","MDQHTWMXYBVSHU-UHFFFAOYSA-N","357676",NA,"PDBC30823","617193","Present"
-"Acetamide, 2-[(2-amino-2-oxoethyl)[(methylamino)carbonyl]amino]-N-methyl-","","","","","","","","","","","","","","","","","","","","Acetamide, 2-[(2-amino-2-oxoethyl)[(methylamino)carbonyl]amino]-N-methyl-","","CNC(=O)CN(CC(=O)N)C(=O)NC","IVOKUWYIHUYZDM-UHFFFAOYSA-N","373585",NA,"PDBC30824","650038","Present"
-"Acetamide, 2-[(aminocarbonyl)(2-amino-2-oxoethyl)amino]-N-methyl-","","","","","","","","","","","","","","","","","","","","Acetamide, 2-[(aminocarbonyl)(2-amino-2-oxoethyl)amino]-N-methyl-","","CNC(=O)CN(CC(=O)N)C(=O)N","RJSTYWHKJFVPSY-UHFFFAOYSA-N","373586",NA,"PDBC30825","650039","Present"
-"Acetamide, 2-amidino-2-(phenylazo)-, hydrochloride","","","","","","","","","","","","","","","","","","","","A834042","","C1=CC=C(C=C1)N=NC(C(=N)N)C(=O)N.Cl","MWOBRIPIRLAVII-UHFFFAOYSA-N","522073",NA,"PDBC30826","10849","Present"
-"Acetamide, N-(2-(2,4-bis((ethenylamino)thioxomethyl)-2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-2,2,2-trifluoro-","","","","","","","","","","","","","","","","","","","","N-[2-[2,4-Bis(ethenylcarbamothioyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide","","C=CNC(=S)N1C(=O)C(=NN(C1=S)C(=S)NC=C)C2=CC=CC=C2NC(=O)C(F)(F)F","FFLNCWNLBCUZJK-UHFFFAOYSA-N","3000332",NA,"PDBC30827","623092","Present"
-"Acetamide, N-(2-bromoallyl)-N-cyclohexyl-","","","","","","","","","","","","","","","","","","","","LS-8303","","CC(=O)N(CC(=C)Br)C1CCCCC1","GJHFCBPJJAPYAT-UHFFFAOYSA-N","59579",NA,"PDBC30828","664950","Present"
-"Acetamide, N-(3,4,5,6-tetrahydro-5-hydroxy-6,8-dimethyl-2,6-epoxy-2H-1-benzoxocin-4-yl)-","","","","","","","","","","","","","","","","","","","","Acetamide, N-(3,4,5,6-tetrahydro-5-hydroxy-6,8-dimethyl-2,6-epoxy-2H-1-benzoxocin-4-yl)-","","CC1=CC2=C(C=C1)OC3CC(C(C2(O3)C)O)NC(=O)C","FIEINPKZAUTFAM-UHFFFAOYSA-N","362340",NA,"PDBC30829","625998","Present"
-"Acetamide, N-(4-cyano-2-methyl-5-oxazolyl)-","","","","","","","","","","","","","","","","","","","","Acetamide, N-(4-cyano-2-methyl-5-oxazolyl)-","","CC1=NC(=C(O1)NC(=O)C)C#N","GUAYFSRGPXLNNQ-UHFFFAOYSA-N","391476",NA,"PDBC30830","690681","Present"
-"Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-((phenylmethyl)amino)benzo(a)heptalen-7-yl)-, (S)-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-...","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=CC=C4)OC)OC)OC","PDIUZPBNLUNFFJ-QFIPXVFZSA-N","84072",NA,"PDBC30831","309697","Present"
-"Acetamide, N-(7-methyl-1,4-dioxido-1,2,4-benzotriazin-3-yl)-","","","","","","","","","","","","","","","","","","","","Acetamide, N-(7-methyl-1,4-dioxido-1,2,4-benzotriazin-3-yl)-","","CC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])NC(=O)C)[O-]","URRXCOLJBSHECN-UHFFFAOYSA-N","135435952",NA,"PDBC30832","617844","Present"
-"Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(3-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(3-methoxyphenyl)-","","CC(=O)N(CN1C(CCC1=O)OC)C2=CC(=CC=C2)OC","WROKSATVBGDTST-UHFFFAOYSA-N","389187",NA,"PDBC30833","684871","Present"
-"Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methoxyphenyl)-","","CC(=O)N(CN1C(CCC1=O)OC)C2=CC=C(C=C2)OC","YHYDHJUZABQWKH-UHFFFAOYSA-N","389186",NA,"PDBC30834","684870","Present"
-"Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methylphenyl)-","","CC1=CC=C(C=C1)N(CN2C(CCC2=O)OC)C(=O)C","IRHWDGHALBKZCX-UHFFFAOYSA-N","389188",NA,"PDBC30835","684872","Present"
-"Acetamide, N-[(2E,4Z)-4-[(2,3-dichlorophenyl)methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-","","","","","","","","","","","","","","","","","","","","N-[(4Z)-4-[(2,3-Dichlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide","","CC(=O)N=C1N(C(=CC2=C(C(=CC=C2)Cl)Cl)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O)C","UKXVCJGUOQNXLD-UPNRPPMLSA-N","9574808",NA,"PDBC30836","658490","Present"
-"Acetamide, N-[(2E,4Z)-4-[(2,4-dichlorophenyl)methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-","","","","","","","","","","","","","","","","","","","","N-[(4Z)-4-[(2,4-Dichlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide","","CC(=O)N=C1N(C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O)C","NJPVKXDGHZNBHC-XOOCMLMRSA-N","9574807",NA,"PDBC30837","658485","Present"
-"Acetamide, N-[(2E,4Z)-4-[(3,4-dimethoxyphenyl)methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-","","","","","","","","","","","","","","","","","","","","N-[(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide","","CC(=O)N=C1N(C(=CC2=CC(=C(C=C2)OC)OC)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O)C","BCBYRGIBXNMMSF-MWFAYXFGSA-N","9574810",NA,"PDBC30838","658492","Present"
-"Acetamide, N-[(2E,4Z)-4-[[4-(acetylamino)phenyl]methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-","","","","","","","","","","","","","","","","","","","","N-[4-[(Z)-[2-Acetylimino-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-4-ylidene]methyl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N(C(=NC(=O)C)N2C)C=C3C(=O)C4=CC=CC=C4OC3=O","NLHYKSVARBVTRF-AJYBHMJXSA-N","9574809",NA,"PDBC30839","658491","Present"
-"Acetamide, N-[2-(4-nitrophenyl)-1-(6,11-dihydro-6,11-dioxo3H-anthra[1,2-c]pyrazol-2-yl)ethenyl]-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[2-(4-nitrophenyl)-1-(6,11-dihydro-6,11-dio...","","CC(=O)NC(=CC1=CC(=CC=C1)[N+](=O)[O-])C2=NC3=C(N2)C=CC4=C3C(=O)C5=CC=CC=C5C4=O","BBUHAKBQKCORDR-NDENLUEZSA-N","5387535",NA,"PDBC30840","624439","Present"
-"Acetamide, N-[2-(phenylsulfonyl)phenyl]-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[2-(phenylsulfonyl)phenyl]-","","CC(=O)NC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2","IOEWYEHFITYJJM-UHFFFAOYSA-N","365390",NA,"PDBC30841","633003","Present"
-"Acetamide, N-[3-(3,3-dimethyl-1-triazen-1-yl)phenyl]-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[3-(3,3-dimethyl-1-triazenyl)phenyl]- (9CI)","","CC(=O)NC1=CC(=CC=C1)N=NN(C)C","QJUXSRZGPUXZAB-UHFFFAOYSA-N","324273",NA,"PDBC30842","289111","Present"
-"Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-...","","CC(=O)NC(CCC1=CC(=C(C=C1)Cl)Cl)C2=CC(=O)C(=CC=C2)O","MIGSPHGJQIIJCX-UHFFFAOYSA-N","323364",NA,"PDBC30843","282885","Present"
-"Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-","","CC(=O)NC1=C(C=CS1)S(=O)(=O)C2=CC=C(C=C2)Cl","JIRNGKBQVUQUQY-UHFFFAOYSA-N","393672",NA,"PDBC30844","696048","Present"
-"Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-2,2,2-trifluoro-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-2,2,2-trifluoro-","","C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)NC(=O)C(F)(F)F)Cl","XITSXNJXRCWMMZ-UHFFFAOYSA-N","392837",NA,"PDBC30845","693815","Present"
-"Acetamide, N-[4-oxo-6-[(2-pyridinylamino)sulfonyl]-3(4H)-quinazolinyl]-2-(2-pyridinylamino)-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[4-oxo-6-[(2-pyridinylamino)sulfonyl]-3(4H)-quinazolinyl]-2-(2-pyridinylamino)-","","C1=CC=NC(=C1)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=N4","IZZTWPHOAWZWRR-UHFFFAOYSA-N","390415",NA,"PDBC30846","687769","Present"
-"Acetamide, N-[5-bromo-3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[5-bromo-3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-","","CC(=O)NC1=C(C=C(S1)Br)S(=O)(=O)C2=CC=C(C=C2)Cl","ZMIXRLWPIXXUAN-UHFFFAOYSA-N","393675",NA,"PDBC30847","696051","Present"
-"Acetamide, N-[[[(2E)-tetrahydro-1-[2-(1H-indol-3-yl)ethyl]-6-oxo-2(1H)-pyrimidinylidene]amino]carbonyl]-","","","","","","","","","","","","","","","","","","","","N-[[1-[2-(1H-Indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]carbamoyl]acetamide","","CC(=O)NC(=O)NC1=NCCC(=O)N1CCC2=CNC3=CC=CC=C32","AVOMXQDNKGJRNJ-UHFFFAOYSA-N","379723",NA,"PDBC30848","664698","Present"
-"Acetamide, N-dodecyl-","","","","","","","","","","","","","","","","","","","","N-Laurylacetamide","","CCCCCCCCCCCCNC(=O)C","MDYPFOFSXHBHFE-UHFFFAOYSA-N","19764",NA,"PDBC30849","141138","Present"
-"Acetamide,2'-dicyclohexyl-N-[7-(hexahydro-1(2H)-azocinyl)heptyl]-, hydrochloride","","","","","","","","","","","","","","","","","","","","Acetamide, 2,2'-dicyclohexyl-N-[7-(hexahydro- 1(2H)-azoc...","","C1CCCN(CCC1)CCCCCCCNC(=O)C(C2CCCCC2)C3CCCCC3.Cl","LXCJALNQXRFBNB-UHFFFAOYSA-N","379302",NA,"PDBC30850","663857","Present"
-"Acetamide,6-dihydro-2-methyl-6-thioxo-5-pyrimidinyl)-","","","","","","","","","","","","","","","","","","","","Acetamide, N-(4-anilino-3,6-dihydro-2-methyl- 6-thioxo-5...","","CC1=NC(=S)C(=C(N1)NC2=CC=CC=C2)NC(=O)C","PBLSWVGCSUCRCB-UHFFFAOYSA-N","3587735",NA,"PDBC30851","622733","Present"
-"Acetamide;dichloroplatinum;[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]azanide","","","","","","","","","","","","","","","","","","","","Acetamide;dichloroplatinum;[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]azanide","","CC(=O)N.C1=CN(C(=O)N=C1[NH-])C2C(C(C(O2)CO)O)O.Cl[Pt]Cl","IKDRCICLSLVBGS-UHFFFAOYSA-K","431739",NA,"PDBC30852","297148","Present"
-"Acetarsol","","","","","","","","","","","","","","","","","","","","goyl","","CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O","ODFJOVXVLFUVNQ-UHFFFAOYSA-N","1985",NA,"PDBC30853","3247","Present"
-"Acetatobis(1,3-dionato)dysprosium(III)","","","","","","","","","","","","","","","","","","","","Acetatobis(1,3-diphenylpropane-1,3-dionato)dysprosium(III)","","CC(=O)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Dy+3]","NSVOHLQUCSEUOY-UHFFFAOYSA-M","372118",NA,"PDBC30854","647046","Present"
-"Acetatobis(1,3-dionato)neodymium(III)","","","","","","","","","","","","","","","","","","","","Acetatobis(1,3-diphenylpropane-1,3-dionato)neodymium(III)","","C[C-](O)O.C1=CC=C(C=C1)[C-](C=C(C2=CC=CC=C2)O)O.C1=CC=C(C=C1)[C-](C=C(C2=CC=CC=C2)O)O.[Nd+3]","QRDIRZPDDRCBIB-IWSPYOOBSA-N","24202398",NA,"PDBC30855","647044","Present"
-"Acetatobis(1,3-dionato)samarium(III)","","","","","","","","","","","","","","","","","","","","Acetatobis(1,3-diphenylpropane-1,3-dionato)samarium(III)","","CC(=O)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Sm+3]","BKZFWYRHBFCRCX-UHFFFAOYSA-M","372117",NA,"PDBC30856","647045","Present"
-"Acetatobis(1,3-dionato)yttrium(III)","","","","","","","","","","","","","","","","","","","","Acetatobis(1,3-diphenylpropane-1,3-dionato)yttrium(III)","","CC(=O)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Y+3]","GXVGHWHQCXUPOF-UHFFFAOYSA-M","6711926",NA,"PDBC30857","647043","Present"
-"Acetic acid 2,3,4-triacetoxy-1-(2-ethoxy-5-methylsulfanyl-[1,3,4]thiadiazole-3-carbonyl)-5-(2-ethoxy-5-methylsulfanyl-[1,3,4]thiadiazol-3-yl)-5-oxo-pentyl ester","","","","","","","","","","","","","","","","","","","","[2,4,5-Triacetyloxy-1,6-bis(2-ethoxy-5-methylsulfanyl-2H-1,3,4-thiadiazol-3-yl)-1,6-dioxohexan-3-yl] acetate","","CCOC1N(N=C(S1)SC)C(=O)C(C(C(C(C(=O)N2C(SC(=N2)SC)OCC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","PVTOJZCNOLGTSK-UHFFFAOYSA-N","378279",NA,"PDBC30858","660238","Present"
-"Acetic acid 2-acetyl-2,3-dimethyl-4-oxo-oxetan-3-yl ester","","","","","","","","","","","","","","","","","","","","Acetic acid 2-acetyl-2,3-dimethyl-4-oxo-oxetan-3-yl ester","","CC(=O)C1(C(C(=O)O1)(C)OC(=O)C)C","GOCMNXHGCGAVET-UHFFFAOYSA-N","363028",NA,"PDBC30859","627572","Present"
-"Acetic acid 2-methoxy-5-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester","","","","","","","","","","","","","","","","","","","","Acetic acid 2-methoxy-5-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester","","CC(=O)OC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)OC","JKVIZZKWXCRIJT-GDNBJRDFSA-N","740151",NA,"PDBC30860","709992","Present"
-"Acetic acid 4,5-diacetoxy-2-(5-nitro-2,3-dihydro-indol-1-yl)-tetrahydro-pyran-3-yl ester","","","","","","","","","","","","","","","","","","","","Acetic acid 4,5-diacetoxy-2-(5-nitro-2,3-dihydro-indol-1-yl)-tetrahydro-pyran-3-yl ester","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2CCC3=C2C=CC(=C3)[N+](=O)[O-]","FFSQKNAKTIJTOA-UHFFFAOYSA-N","373201",NA,"PDBC30861","649168","Present"
-"Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-(3-cyano-2-mercapto-6-phenyl-4-thiophen-2-yl-4H-pyridin-1-yl)-tetrahydro-pyran-3-yl ester","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(3-cyano-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CS3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","ZHKWCHZDGBICTH-UHFFFAOYSA-N","381303",NA,"PDBC30862","667740","Present"
-"Acetic acid 4-methyl-2-oxo-2H-chromen-6-yl ester","","","","","","","","","","","","","","","","","","","","STL512389","","CC1=CC(=O)OC2=C1C=C(C=C2)OC(=O)C","IJNCWCFCIOPZPE-UHFFFAOYSA-N","238948",NA,"PDBC30863","43571","Present"
-"Acetic acid 5'-cyano-6'-amino-5,6-didehydroandrosta-16-eno[17,16-b]pyridine-3beta-yl ester","","","","","","","","","","","","","","","","","","","","[(1R,2S,10S,13S,14R,17S)-7-Amino-6-cyano-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4,6,8,19-tetraen-17-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=CC(=C(N=C54)N)C#N)C)C","BZHPGDDFBJGZBK-QFNYRDOESA-N","399257",NA,"PDBC30864","709949","Present"
-"Acetic acid 5'-methyl-2'-phenyl-2'H-androsta-16-eno[16,17-c]pyrazole-5-ene-3beta-yl ester","","","","","","","","","","","","","","","","","","","","[(1R,2S,9S,12S,13R,16S)-7,9,13-Trimethyl-5-phenyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),6,18-trien-16-yl] acetate","","CC1=NN(C2=C1C3(CCC4C(C3C2)CC=C5C4(CCC(C5)OC(=O)C)C)C)C6=CC=CC=C6","HPIRTPHVJCGGSC-UMALJDHNSA-N","399261",NA,"PDBC30865","709953","Present"
-"Acetic acid 6a-acetoxy-2,2,5,5-tetrakis-trifluoromethyl-tetrahydro-furo[3,2-b]furan-3a-yl ester","","","","","","","","","","","","","","","","","","","","Acetic acid 6a-acetoxy-2,2,5,5-tetrakis-trifluoromethyl-tetrahydro-furo[3,2-b]furan-3a-yl ester","","CC(=O)OC12CC(OC1(CC(O2)(C(F)(F)F)C(F)(F)F)OC(=O)C)(C(F)(F)F)C(F)(F)F","GFUPCHWQPZJGGR-UHFFFAOYSA-N","379610",NA,"PDBC30866","664314","Present"
-"Acetic acid [2,3,5,8-tetrahydro-5,8-dioxo-6-(aziridin-1-yl)-1H-pyrrolo[1,2-a]benzimidazol]-3-yl ester","","","","","","","","","","","","","","","","","","","","1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 3-(acetyloxy)-6-(1-aziridinyl)-2,3-dihydro-","","CC(=O)OC1CCN2C1=NC3=C2C(=O)C=C(C3=O)N4CC4","IKYRZJWIDHPKIN-UHFFFAOYSA-N","383412",NA,"PDBC30867","671660","Present"
-"Acetic acid [4-(3,4-dimethoxyphenyl)-7-keto-6-methylene-4,5-dihydrobenzothiophen-5-yl]methyl ester","","","","","","","","","","","","","","","","","","","","Acetic acid [4-(3,4-dimethoxyphenyl)-7-keto-6-methylene-4,5-dihydrobenzothiophen-5-yl]methyl ester","","CC(=O)OCC1C(C2=C(C(=O)C1=C)SC=C2)C3=CC(=C(C=C3)OC)OC","PVXHLLQGGGFFSZ-UHFFFAOYSA-N","24202844",NA,"PDBC30868","726085","Present"
-"Acetic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis(cyano-, diethyl ester, (2Z,2'Z)-","","","","","","","","","","","","","","","","","","","","Ethyl (2Z)-2-cyano-2-[(5Z)-5-(1-cyano-2-ethoxy-2-oxo-ethylidene)-1,2,4-trithiolan-3-ylidene]acetate","","CCOC(=O)C(=C1SC(=C(C#N)C(=O)OCC)SS1)C#N","BJEFMLAPLDTDNB-OXAWKVHCSA-N","3003822",NA,"PDBC30869","98363","Present"
-"Acetic acid, 2,2'-dithiobis-, bis[2-[[(4-bromophenyl)amino]sulfonyl]ethyl] ester","","","","","","","","","","","","","","","","","","","","Acetic acid, 2,2'-dithiobis-, bis[2-[[(4-bromophenyl)amino]sulfonyl]ethyl] ester","","C1=CC(=CC=C1NS(=O)(=O)CCOC(=O)CSSCC(=O)OCCS(=O)(=O)NC2=CC=C(C=C2)Br)Br","HLUALCOAONTAQQ-UHFFFAOYSA-N","361219",NA,"PDBC30870","624179","Present"
-"Acetic acid, 2,2'-hydrazinylidenebis-","","","","","","","","","","","","","","","","","","","","EC 403-510-5","","C(C(=O)O)N(CC(=O)O)N","QQQMJWSOHKTWDZ-UHFFFAOYSA-N","87983",NA,"PDBC30871","9345","Present"
-"Acetic acid, 2-(3'-acetyl-1,2-dihydro-2-oxospiro[3H-indole-3,2'(3'H)-[1,3,4]thiadiazol]-5'-yl)hydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Acetyl-2'-oxospiro[1,3,4-thiadiazolidine-5,3'-1H-indole]-2-ylidene)amino]acetamide","","CC(=O)NN=C1NN(C2(S1)C3=CC=CC=C3NC2=O)C(=O)C","KZOZHYGVWZQIQT-UHFFFAOYSA-N","135450440",NA,"PDBC30872","666387","Present"
-"Acetic acid, [(4,9-dihydro-4,9-dioxonaphtho[2,3-d]thiazol-2-yl)amino]oxo-, ethyl ester","","","","","","","","","","","","","","","","","","","","Acetic acid, [(4,9-dihydro-4,9-dioxonaphtho[2,3-d]thiazol-2-yl)amino]oxo-, ethyl ester","","CCOC(=O)C(=O)NC1=NC2=C(S1)C(=O)C3=CC=CC=C3C2=O","IQIQVVNYLKPKCV-UHFFFAOYSA-N","361022",NA,"PDBC30873","623756","Present"
-"Acetic acid, [(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)oxy]-, ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxyacetate","","CCOC(=O)CON=C1C2=CC=CC=C2C=CC3=CC=CC=C31","KDHPMNDDZWMTEF-UHFFFAOYSA-N","382533",NA,"PDBC30874","670142","Present"
-"Acetic acid, [(aminoiminomethyl)thio]-","","","","","","","","","","","","","","","","","","","","Acetic acid, (amidinothio)-","","C(C(=O)O)SC(=N)N","BWUNQEXPLIAUOU-UHFFFAOYSA-N","81899",NA,"PDBC30875","403734","Present"
-"Acetic acid, [[(4-methoxyphenyl)sulfonyl]hydrazono]-","","","","","","","","","","","","","","","","","","","","Acetic acid, [[(4-methoxyphenyl)sulfonyl]hydrazono]- (9CI)","","COC1=CC=C(C=C1)S(=O)(=O)NN=CC(=O)O","BHAJEYKQHZPCHD-UXBLZVDNSA-N","5351283",NA,"PDBC30876","267213","Present"
-"Acetic acid, rhodium salt (4:2)","","","","","","","","","","","","","","","","","","","","Acetic acid, rhodium salt (4:2)","","CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[Rh].[Rh]","DRGVLUZIGUIMLB-UHFFFAOYSA-N","423677",NA,"PDBC30877","156310","Present"
-"Acetic acid,16-c]pyrazol-3-yl ester","","","","","","","","","","","","","","","","","","","","D-Homo-17a-aza-5-androsteno[17,16-c]pyrazol-3-yl,2'-(4-f...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C(N4)N(N=C5)C6=CC=C(C=C6)F)C)C","ZVSNDAMRBDBAIS-QDRNEQMHSA-N","392371",NA,"PDBC30878","692655","Present"
-"Acetic acid,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dioxo-4-(1-phenyl-2-propen-1-yl)furan-4-yl ester","","","","","","","","","","","","","","","","","","","","Furan-2,3-dione, tetrahydro-4-acetoxy- 4-(1-phenyl-2-pro...","","CC(=O)OC1(C(OC(=O)C1=O)C2COC(O2)(C)C)C(C=C)C3=CC=CC=C3","RKSAATWCHUBICD-IDQKJFIUSA-N","386050",NA,"PDBC30879","677617","Present"
-"Acetic acid,4,7,10-tetraazacyclododecane-1,7-diyl]bis","","","","","","","","","","","","","","","","","","","","Acetic acid, [1,4,7,10-tetraazacyclododecane-1,7-diyl]bis","","C1CN(CCNCCN(CCN1)CC(=O)O)CC(=O)O.Cl","QUUXVEDAFNNDNI-UHFFFAOYSA-N","387352",NA,"PDBC30880","681105","Present"
-"Acetic acid--4,4'-[(E)-ethene-1,2-diyl]bis(6-methoxyquinoline) (1/1)","","","","","","","","","","","","","","","","","","","","Acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline","","CC(=O)O.COC1=CC2=C(C=CN=C2C=C1)C=CC3=C4C=C(C=CC4=NC=C3)OC","VMKQUODOFZERKS-BJILWQEISA-N","16682406",NA,"PDBC30881","5907","Present"
-"Acetic acid;1-amino-3,4,5,6-tetrahydroxyhexan-2-one","","","","","","","","","","","","","","","","","","","","1-amino-1-deoxyhex-2-ulose acetate","","CC(=O)O.C(C(C(C(C(=O)CN)O)O)O)O","MJTNICQSTIRWQM-UHFFFAOYSA-N","221240",NA,"PDBC30882","5554","Present"
-"Acetic acid;2-[[3-carboxy-3-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propyl]carbamoyl]benzoic acid","","","","","","","","","","","","","","","","","","","","Acetic acid;2-[[3-carboxy-3-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propyl]carbamoyl]benzoic acid","","CC(=O)O.C1=CC=C(C(=C1)C(=O)NCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O","MMPPVXHIYQJYQT-UHFFFAOYSA-N","381232",NA,"PDBC30883","667640","Present"
-"Acetic acid;2-amino-5-[[1-(carboxymethylamino)-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","Acetic acid;2-amino-5-[[1-(carboxymethylamino)-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","","CC(=O)O.C1=CC=C(C=C1)N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","XTOGZMLSFUKMMU-UHFFFAOYSA-N","374647",NA,"PDBC30884","652683","Present"
-"Acetic acid;2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","","","","","","","","","","","","","","","","","","","","Acetic acid;2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid","","CC(=O)O.C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)Br","IDOYMBFXIQOKKS-UHFFFAOYSA-N","375164",NA,"PDBC30885","654380","Present"
-"Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine","","CC(=O)O.C1=CC2=C(C=C1CNC3=CC(=C(C=C3)Cl)Cl)C(=NC(=N2)N)N","AFPICYPZQDYTKK-UHFFFAOYSA-N","328132",NA,"PDBC30886","305768","Present"
-"Acetic acid;[(2S,8R,10S)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxo-8-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] benzoate","","","","","","","","","","","","","","","","","","","","Acetic acid;[(2S,8R,10S)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxo-8-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] benzoate","","CC(=O)O.CC12CCC3(C1)C(CC(C4C3(CCCC4(C)CO)C)OC(=O)C5=CC=CC=C5)CC2=O","JKOLCDARTKMGJD-REXIZEJYSA-N","370991",NA,"PDBC30887","644811","Present"
-"Acetic acid;acetonitrile;molybdenum;1,10-phenanthroline;ditetrafluoroborate","","","","","","","","","","","","","","","","","","","","Acetic acid;acetonitrile;molybdenum;1,10-phenanthroline;ditetrafluoroborate","","","","",NA,"PDBC30888","654726","Present"
-"Acetic acid;acetonitrile;molybdenum;2-pyridin-2-ylpyridine;ditetrafluoroborate","","","","","","","","","","","","","","","","","","","","Acetic acid;acetonitrile;molybdenum;2-pyridin-2-ylpyridine;ditetrafluoroborate","","","","",NA,"PDBC30889","654724","Present"
-"Acetic acid;acetonitrile;molybdenum;ditetrafluoroborate","","","","","","","","","","","","","","","","","","","","Acetic acid;acetonitrile;molybdenum;ditetrafluoroborate","","","","",NA,"PDBC30890","654723","Present"
-"Acetic acid;acetonitrile;rhodium;ditetrafluoroborate","","","","","","","","","","","","","","","","","","","","Acetic acid;acetonitrile;rhodium;ditetrafluoroborate","","","","",NA,"PDBC30891","654730","Present"
-"Acetic acid;ethyl 2-amino-5-[[3-[(4-bromophenyl)methylsulfanyl]-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Acetic acid;ethyl 2-amino-5-[[3-[(4-bromophenyl)methylsulfanyl]-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate","","CCOC(=O)CNC(=O)C(CSCC1=CC=C(C=C1)Br)NC(=O)CCC(C(=O)OCC)N.CC(=O)O","KLUUJXLLCWFXDO-UHFFFAOYSA-N","392747",NA,"PDBC30892","693566","Present"
-"Acetic acid;ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2,3,8-trimethyl-4H-pyrrolo[2,3-f]quinoxaline-7-carboxylate","","","","","","","","","","","","","","","","","","","","Acetic acid;ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2,3,8-trimethyl-4H-pyrrolo[2,3-f]quinoxaline-7-carboxylate","","CCOC(=O)C1=C(N=C2C1=C(C(=C3C2=NC(=C(N3)C)C)O)CN(C)C)C.CC(=O)O","UAHIUJCUUXHIAL-UHFFFAOYSA-N","135436260",NA,"PDBC30893","716493","Present"
-"Acetic acid;gold;triphenylphosphanium","","","","","","","","","","","","","","","","","","","","NSC274557","","CC(=O)O.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au]","NUTGXZNAEWIDCP-UHFFFAOYSA-O","6333605",NA,"PDBC30894","274557","Present"
-"Acetic acid;methyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate","","","","","","","","","","","","","","","","","","","","Acetic acid;methyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate","","CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCC[N+](C)(CCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C)CC7=CC=C(N7C)[N+](=O)[O-].CC(=O)O.CC(=O)[O-]","LJPOOOQCBDSGLQ-UHFFFAOYSA-N","396198",NA,"PDBC30895","701748","Present"
-"Acetic acid;titanium;hydrate","","","","","","","","","","","","","","","","","","","","Acetic acid;titanium;hydrate","","CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O.[Ti].[Ti]","YIYJYCBGAFWKTN-UHFFFAOYSA-N","368530",NA,"PDBC30896","639603","Present"
-"Acetoacetamide","","","","","","","","","","","","","","","","","","","","Acetoacetamide","","CC(=O)CC(=O)N","GCPWJFKTWGFEHH-UHFFFAOYSA-N","80077",NA,"PDBC30897","632231","Present"
-"Acetoacrone","","","","","","","","","","","","","","","","","","","","Acetoacrone","","CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O","USWITJBAYINNFK-UHFFFAOYSA-N","364454",NA,"PDBC30898","630715","Present"
-"Acetogenins","","","","","","","","","","","","","","","","","","","","Muricatetrocin B","","CCCCCCC(C(CCC(C1CCC(O1)CCCCC(CC2=CC(OC2=O)C)O)O)O)O","CTUPPWQYDNGORK-UHFFFAOYSA-N","393472",NA,"PDBC30899","695405","Present"
-"Acetonitrile, 2-benzothiazolyl(2-chloro-4-pyrimidinyl)-","","","","","","","","","","","","","","","","","","","","Acetonitrile, 2-benzothiazolyl(2-chloro-4-pyrimidinyl)-","","C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)Cl","QVMKLKBODZHJDK-UHFFFAOYSA-N","395229",NA,"PDBC30900","699704","Present"
-"Acetonitrile, cis-","","","","","","","","","","","","","","","","","","","","Acetonitrile, [[[2-(1-phenylethenyl)-2-hydroxycyclobutyl...","","C=C(C1=CC=CC=C1)C2(CCC2N(CC#N)CC3=CC=CC=C3)O","LLFYZUZEQWBNPP-SFTDATJTSA-N","6711318",NA,"PDBC30901","617644","Present"
-"Acetonitrile, diisobutylamino-","","","","","","","","","","","","","","","","","","","","Acetonitrile, diisobutylamino-","","CC(C)CN(CC#N)CC(C)C","ADEQPGWHCPALGB-UHFFFAOYSA-N","141219",NA,"PDBC30902","26720","Present"
-"Acetonitrile,5-dichloro-4-methoxyphenyl)amino]-, 2-thioxo-","","","","","","","","","","","","","","","","","","","","Acetonitrile, 2-[(3,5-dichloro-4-methoxyphenyl)amino]-, ...","","COC1=C(C=C(C=C1Cl)NC(=S)C#N)Cl","MYDYYEVIDVIXIM-UHFFFAOYSA-N","3737241",NA,"PDBC30903","640820","Present"
-"Acetonitrile; 2-[dichloro-(2-hydroxycyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanol","","","","","","","","","","","","","","","","","","","","Acetonitrile; 2-[dichloro-(2-hydroxycyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanol","","","","",NA,"PDBC30904","636969","Present"
-"Acetonitrile; 2-[dichloro-(2-oxocyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanone","","","","","","","","","","","","","","","","","","","","Acetonitrile; 2-[dichloro-(2-oxocyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanone","","","","",NA,"PDBC30905","636968","Present"
-"Acetonitrile; acetoxy(acetoxyrhodio)rhodium; hexafluoroantimony(1-); 2-(2-pyridyl)pyridine","","","","","","","","","","","","","","","","","","","","Acetonitrile; acetoxy(acetoxyrhodio)rhodium; hexafluoroantimony(1-); 2-(2-pyridyl)pyridine","","","","",NA,"PDBC30906","654729","Present"
-"Acetonitrile;iridium;tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate;triphenylphosphane;triphenylphosphanium;tetrafluoroborate","","","","","","","","","","","","","","","","","","","","Acetonitrile;iridium;tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate;triphenylphosphane;triphenylphosphanium;tetrafluoroborate","","","","",NA,"PDBC30907","630734","Present"
-"Acetonitrile;molybdenum;ditetrafluoroborate","","","","","","","","","","","","","","","","","","","","Acetonitrile;molybdenum;ditetrafluoroborate","","","","",NA,"PDBC30908","654725","Present"
-"Acetonylacetone dioxime","","","","","","","","","","","","","","","","","","","","NSC7307","","CC(=NO)CCC(=NO)C","ARJRNJXEXXHYDU-KQQUZDAGSA-N","5459300",NA,"PDBC30909","7307","Present"
-"Acetophenone, 2-phenyl-2-(4-methylphenylamino)","","","","","","","","","","","","","","","","","","","","OKDKHOBYMXHNMN-UHFFFAOYSA-N","","CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3","OKDKHOBYMXHNMN-UHFFFAOYSA-N","231205",NA,"PDBC30910","26933","Present"
-"Acetoxy-[2,4-bis(acetoxymercurio)-3,5-dimethyl-6-(3-oxobutanoylamino)phenyl]mercury","","","","","","","","","","","","","","","","","","","","Acetoxy-[2,4-bis(acetoxymercurio)-3,5-dimethyl-6-(3-oxobutanoylamino)phenyl]mercury","","CC1=C(C(=C(C(=C1[Hg]OC(=O)C)C)[Hg]OC(=O)C)[Hg]OC(=O)C)NC(=O)CC(=O)C","SKNYCSMIYNMDGA-UHFFFAOYSA-K","16683867",NA,"PDBC30911","635974","Present"
-"Acetoxy-[4-(acetoxymercurio)-2,5-dimethoxy-3-(3-oxobutanoylamino)phenyl]mercury","","","","","","","","","","","","","","","","","","","","Acetoxy-[4-(acetoxymercurio)-2,5-dimethoxy-3-(3-oxobutanoylamino)phenyl]mercury","","CC(=O)CC(=O)NC1=C(C(=CC(=C1OC)[Hg]OC(=O)C)OC)[Hg]OC(=O)C","IMZOVOAJFUBGPR-UHFFFAOYSA-L","16683868",NA,"PDBC30912","635979","Present"
-"Acetoxy-[4-(acetoxymercurio)-2-chloro-3,6-dimethoxy-5-(3-oxobutanoylamino)phenyl]mercury","","","","","","","","","","","","","","","","","","","","Acetoxy-[4-(acetoxymercurio)-2-chloro-3,6-dimethoxy-5-(3-oxobutanoylamino)phenyl]mercury","","CC(=O)CC(=O)NC1=C(C(=C(C(=C1[Hg]OC(=O)C)OC)Cl)[Hg]OC(=O)C)OC","QGQVJDUSZGXLSL-UHFFFAOYSA-L","16683866",NA,"PDBC30913","635973","Present"
-"Acetoxycycloheximide","","","","","","","","","","","","","","","","","","","","Acetoxycycloheximide","","CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)OC(=O)C","UFDHNJJHPSGMFX-UHFFFAOYSA-N","233768",NA,"PDBC30914","32743","Present"
-"Acetyl tributyl citrate","","","","","","","","","","","","","","","","","","","","Blo-trol","","CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C","QZCLKYGREBVARF-UHFFFAOYSA-N","6505",NA,"PDBC30915","3894","Present"
-"Acetyl-glaucarubulone","","","","","","","","","","","","","","","","","","","","holacanthone","","CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)OC(=O)C","OFHVBIQKCNMHKC-FJSLBGAUSA-N","158475",NA,"PDBC30916","126765","Present"
-"Acetylenedicarboxamide","","","","","","","","","","","","","","","","","","","","NSC38643///NSC65381","","C(#CC(=O)N)C(=O)N","JBTGHKUTYAMZEZ-UHFFFAOYSA-N","10971",NA,"PDBC30917","38643///65381","Present"
-"Acetylmarinobufagin","","","","","","","","","","","","","","","","","","","","Acetylmarinobufogenin","","CC(=O)OC1CCC2(C3CCC4(C(CC5C4(C3CCC2(C1)O)O5)C6=COC(=O)C=C6)C)C","SMEFDRPJDZWFRJ-UHFFFAOYSA-N","282302",NA,"PDBC30918","135687","Present"
-"Acetylmelodorinol","","","","","","","","","","","","","","","","","","","","acetylmelodorinol","","CC(=O)OC(COC(=O)C1=CC=CC=C1)C=C2C=CC(=O)O2","GRILELGQNUBIAJ-LCYFTJDESA-N","5388650",NA,"PDBC30919","637383","Present"
-"Acetyloxy-(2-amino-6-fluoro-3,5-dimethylphenyl)mercury","","","","","","","","","","","","","","","","","","","","Acetyloxy-(2-amino-6-fluoro-3,5-dimethylphenyl)mercury","","CC1=CC(=C(C(=C1N)[Hg]OC(=O)C)F)C","RYEJUAGYUFFAFL-UHFFFAOYSA-M","16683793",NA,"PDBC30920","196550","Present"
-"Acetyloxy-[[5-(acetyloxymercuriomethyl)-2,5-dimethyl-1,4-dioxan-2-yl]methyl]mercury","","","","","","","","","","","","","","","","","","","","Acetyloxy-[[5-(acetyloxymercuriomethyl)-2,5-dimethyl-1,4-dioxan-2-yl]methyl]mercury","","CC(=O)O[Hg]CC1(COC(CO1)(C)C[Hg]OC(=O)C)C","DLRFJLVNKAUTJK-UHFFFAOYSA-L","16683716",NA,"PDBC30921","114512","Present"
-"Acetylrolandrolide","","","","","","","","","","","","","","","","","","","","Acetylrolandrolide","","CC1=CC(CC(C=C2C(=C(C(=O)O2)COC(=O)C)C(C1)OC(=O)C(=C)C)(C)O)OC(=O)C","SBZYIOCHWBZFIG-FHIRRPESSA-N","5384465",NA,"PDBC30922","335663","Present"
-"Acetylsalicylic acid-propargylester","","","","","","","","","","","","","","","","","","","","Acetylsalicylic acid-propargylester","","CC(=O)OC1=CC=CC=C1C(=O)OCC#C","JCLIQANOENBIMS-UHFFFAOYSA-N","390922",NA,"PDBC30923","689143","Present"
-"Acetylsolasodine","","","","","","","","","","","","","","","","","","","","Acetylsolasodine","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)NC1","MCQNPWNREVNWDQ-UHFFFAOYSA-N","262502",NA,"PDBC30924","96021","Present"
-"Acetylstrophanthidin","","","","","","","","","","","","","","","","","","","","ACETYLTROPHANTHIDIN","","CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O","JLZAERUVCODZQO-VWCUIIQSSA-N","261075",NA,"PDBC30925","92954","Present"
-"Acetyltifruticin","","","","","","","","","","","","","","","","","","","","ACETYLTIFRUTICIN","","CC=C(C)C(=O)OC1CC(C2C(O2)C(C(=CC3C1C(=C)C(=O)O3)C)OC(=O)C)(C)O","FGHHYGLRTWXEOP-AMMQDNIMSA-N","54604617",NA,"PDBC30926","329690","Present"
-"Achilleol A","","","","","","","","","","","","","","","","","","","","Achilleol A","","CC(=CCCC(=CCCC(=CCCC=C(C)CCC1C(=C)CCC(C1(C)C)O)C)C)C","ANKPMKKGZZQDIC-HJSIMFEZSA-N","5471312",NA,"PDBC30927","710351","Present"
-"Achillin","","","","","","","","","","","","","","","","","","","","Achillin","","CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)C)C","BJPSSVHNEGMBDQ-UHFFFAOYSA-N","291264",NA,"PDBC30928","156236","Present"
-"Achromycin","","","","","","","","","","","","","","","","","","","","steclin","","CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O","NWXMGUDVXFXRIG-UHFFFAOYSA-N","54685734",NA,"PDBC30929","108579","Present"
-"Acid Bordeaux","","","","","","","","","","","","","","","","","","","","NSC4299///NSC45583","","C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","NOAPAFGLMMFJKT-UHFFFAOYSA-N","135422007",NA,"PDBC30930","4299///45583","Present"
-"Acid Red 6A","","","","","","","","","","","","","","","","","","","","NSC45582///NSC7834","","C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","CAEYATLYRAOUJZ-UHFFFAOYSA-N","135422006",NA,"PDBC30931","45582///7834","Present"
-"Acid red 24","","","","","","","","","","","","","","","","","","","","C.I. Acid Red 24","","CC1=CC=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","HIHXKXUDYZTYGH-UHFFFAOYSA-N","135421997",NA,"PDBC30932","45562","Present"
-"Acid yellow 11","","","","","","","","","","","","","","","","","","","","flavazine","","CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC=CC=C3.[Na+]","WDAWIIXWJBEKSA-UHFFFAOYSA-N","135408523",NA,"PDBC30933","47704","Present"
-"Aclacinomycin X","","","","","","","","","","","","","","","","","","","","Aclacinomycin X","","CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7C(=CC(=O)C(O7)C)N)O)N(C)C)O","OHMUKIWRHXAZQS-UHFFFAOYSA-N","382513",NA,"PDBC30934","670120","Present"
-"Aclarlubicin HCl","","","","","","","","","","","","","","","","","","","","Aclarlubicin HCl","","CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O.Cl","KUSMIBXCRZTVML-GCYJRYRVSA-N","11970023",NA,"PDBC30935","654508","Present"
-"Aclucinomycin A","","","","","","","","","","","","","","","","","","","","aclarubicin","","CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O","USZYSDMBJDPRIF-XCKHQVGJSA-N","308141",NA,"PDBC30936","208734","Present"
-"Acnistin E","","","","","","","","","","","","","","","","","","","","acnistin-e","","CC12CCC3C(C1CCC2(C4CC5(CC4OC(=O)C5(C)O)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6","FKQUQCYOBZEPTK-SXUGLQBDSA-N","331499",NA,"PDBC30937","324043","Present"
-"Acnistin F","","","","","","","","","","","","","","","","","","","","Acnistin F","","CC12CCC3C(C1CCC2(C4CC5CC4(C(C(=O)O5)(C)O)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6","QXCNIIZHTUXBPS-UBIZXAKLSA-N","6712173",NA,"PDBC30938","657923","Present"
-"Acodazole hydrochloride","","","","","","","","","","","","","","","","","","","","acodazole","","CC1=CC(=C2C(=CC=C3C2=NC=N3)N1)NC4=CC=C(C=C4)N(C)C(=O)C.Cl","SIEMBUZUHHIAFB-UHFFFAOYSA-N","41445",NA,"PDBC30939","305884","Present"
-"Acolongifloroside potassium","","","","","","","","","","","","","","","","","","","","Acolongifloroside potassium","","CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O","LPMXVESGRSUGHW-PCCRTPNOSA-N","289840",NA,"PDBC30940","152149","Present"
-"Acoschimperoside P","","","","","","","","","","","","","","","","","","","","Neritaloside","","CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O","UZQOZJNEDXAJEZ-WAIGGTDDSA-N","289842",NA,"PDBC30941","707149","Present"
-"Acovenoside A","","","","","","","","","","","","","","","","","","","","venenatine","","CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)O)C)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)O","DKYDBQQIQAPGMH-FIZVBJIDSA-N","272417",NA,"PDBC30942","116787","Present"
-"Acovenoside B","","","","","","","","","","","","","","","","","","","","Acovenoside B","","CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)OC(=O)C)O)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)O","IVASUCKOVWICFI-UHFFFAOYSA-N","272418",NA,"PDBC30943","116789","Present"
-"Acoxatrine","","","","","","","","","","","","","","","","","","","","Acoxatrine","","CC(=O)NCC1(CCN(CC1)CC2COC3=CC=CC=C3O2)C4=CC=CC=C4","WSWPNPUMDWOKAR-UHFFFAOYSA-N","68938",NA,"PDBC30944","665321","Present"
-"Acranil dihydrochloride","","","","","","","","","","","","","","","","","","","","Acranil","","CCN(CC)CC(CNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)O.Cl","SSDTVXNTGXKATD-UHFFFAOYSA-N","24181805",NA,"PDBC30945","11515","Present"
-"Acrasin","","","","","","","","","","","","","","","","","","","","Adenosine Cyclic 3',5'-Phosphate","","C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O","IVOMOUWHDPKRLL-UHFFFAOYSA-N","274",NA,"PDBC30946","94017","Present"
-"Acridan, dihydrochloride","","","","","","","","","","","","","","","","","","","","Acridan, 9-chloro-9-(p-dimethylaminophenyl)-10-ethyl-, d...","","CCN1C2=CC=CC=C2C(C3=CC=CC=C31)(C4=CC=C(C=C4)N(C)C)Cl.Cl","BTXWLNFACRARPI-UHFFFAOYSA-N","24184090",NA,"PDBC30947","32937","Present"
-"Acridin-9-yl(4-ethoxyphenyl)amine, chloride","","","","","","","","","","","","","","","","","","","","9-Acridinamine, N-(4-ethoxyphenyl)-, monohydrochloride","","CCOC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl","OMULIADPFGXXQF-UHFFFAOYSA-N","2788193",NA,"PDBC30948","165714","Present"
-"Acridin-9-yl(7H-purin-6-ylsulfanyl)diazene","","","","","","","","","","","","","","","","","","","","Acridin-9-yl(7H-purin-6-ylsulfanyl)diazene","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N=NSC4=NC=NC5=C4NC=N5","XSFSUFZRUVSKAU-UHFFFAOYSA-N","3302172",NA,"PDBC30949","80931","Present"
-"Acridine Yellow G","","","","","","","","","","","","","","","","","","","","basic yellow k","","CC1=CC2=CC3=C(C=C(C(=C3)C)N)N=C2C=C1N.Cl","BGLGAKMTYHWWKW-UHFFFAOYSA-N","8672",NA,"PDBC30950","13973","Present"
-"Acridine carboxamide","","","","","","","","","","","","","","","","","","","","XR-5000","","CN(C)CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21","XBGNERSKEKDZDS-UHFFFAOYSA-N","107805",NA,"PDBC30951","754367","Present"
-"Acridine orange","","","","","","","","","","","","","","","","","","","","euchrysine","","CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C","DPKHZNPWBDQZCN-UHFFFAOYSA-N","62344",NA,"PDBC30952","194350","Present"
-"Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-, hydrochloride","","","","","","","","","","","","","","","","","","","","Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-, hydr...","","COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=CC=C4.COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=CC=C4.Cl.Cl","KHTZTHGNQAYCIY-UHFFFAOYSA-N","60147553",NA,"PDBC30953","751600","Present"
-"Acridine, 9,9'-octamethylenedi(imino)bis-","","","","","","","","","","","","","","","","","","","","1,8-Octanediamine, N,N'-di-9-acridinyl- (9CI)","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64","NEAXIRVWYPBDID-UHFFFAOYSA-N","42559",NA,"PDBC30954","219734","Present"
-"Acridine-4-carboxamide, dihydrochloride","","","","","","","","","","","","","","","","","","","","Acridine-4-carboxamide, 9-amino-5-methyl- N-[2-(dimethyl...","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)N.Cl","XHEWAXIRUWJFHP-UHFFFAOYSA-N","388357",NA,"PDBC30955","683247","Present"
-"Acridinium, bromide, monohydrobromide","","","","","","","","","","","","","","","","","","","","Acridinium, 3-amino-9-[[4-[[[4-[(aminoiminomethyl)amino]...","","C[N+]1=C2C=C(C=CC2=C(C3=CC=CC=C31)NC4=CC=C(C=C4)NS(=O)(=O)CCCCN=C(N)N)N.Br.[Br-]","PMKQKWUPHXCWCO-UHFFFAOYSA-N","24194755",NA,"PDBC30956","172774","Present"
-"Acridodimidine","","","","","","","","","","","","","","","","","","","","Acridodimidine","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)C","WLODZVNZJYFSJJ-UHFFFAOYSA-N","364444",NA,"PDBC30957","630705","Present"
-"Acridoguanidine","","","","","","","","","","","","","","","","","","","","Acridoguanidine","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","RSGQPVTWCUZOBU-UHFFFAOYSA-N","364443",NA,"PDBC30958","630704","Present"
-"Acridomide","","","","","","","","","","","","","","","","","","","","Acridomide","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N","KUSJNKRLKPKICQ-UHFFFAOYSA-N","364442",NA,"PDBC30959","630703","Present"
-"Acridoxazole","","","","","","","","","","","","","","","","","","","","Acridoxazole","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O","NBQGSRALDBECKE-UHFFFAOYSA-N","364445",NA,"PDBC30960","630706","Present"
-"Acriflavinehydrochloride","","","","","","","","","","","","","","","","","","","","Acriflavine hydrochloride","","C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl.[Cl-]","QEUYATCJHJUQML-UHFFFAOYSA-N","390892",NA,"PDBC30961","689003","Present"
-"Acrisorcin","","","","","","","","","","","","","","","","","","","","acrisorcin (usan)","","CCCCCCC1=C(C=C(C=C1)O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N","YZODJQFXMFEJRM-UHFFFAOYSA-N","24144",NA,"PDBC30962","758691","Present"
-"Acrofolione A","","","","","","","","","","","","","","","","","","","","Acrofolione A","","CC(C)CC(C1=C(C(=C(C(=C1O)CC=C(C)C)OC)C(=O)C)O)C2=C3C(=C(C(=C2O)C(=O)C)O)CC(O3)C(C)(C)O","OUNVYFMBWBYCMV-UHFFFAOYSA-N","402434",NA,"PDBC30963","716404","Present"
-"Acrofolione B","","","","","","","","","","","","","","","","","","","","Acrofolione B","","CC(C)CC(C1=C(C(=C2C(=C1O)CC(O2)C(C)(C)O)C(=O)C)O)C3=C(C(=C(C(=C3O)CC=C(C)C)OC)C(=O)C)O","BAXWGCKHMROHKQ-UHFFFAOYSA-N","402435",NA,"PDBC30964","716405","Present"
-"Acronine","","","","","","","","","","","","","","","","","","","","Acronine","","CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C","SMPZPKRDRQOOHT-UHFFFAOYSA-N","345512",NA,"PDBC30965","403169","Present"
-"Acronycine, 2-nitro","","","","","","","","","","","","","","","","","","","","ACRONYCINE, 2-NITRO","","CC1(C(=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)[N+](=O)[O-])C","FFUMIZNHKKJWAI-UHFFFAOYSA-N","342903",NA,"PDBC30966","380856","Present"
-"Acrophylline","","","","","","","","","","","","","","","","","","","","Acrophylline","","CC(=CCN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC=C3)C","GARIOWCJZYSSOE-UHFFFAOYSA-N","87840",NA,"PDBC30967","121139","Present"
-"Acrovestone","","","","","","","","","","","","","","","","","","","","Acrovestone","","CC(C)CC(C1=C(C(=C(C(=C1O)CC=C(C)C)O)C(=O)C)O)C2=C(C(=C(C(=C2O)CC=C(C)C)OC)C(=O)C)O","KLFWXYAHGSXKAW-UHFFFAOYSA-N","159969",NA,"PDBC30968","612789","Present"
-"Actb-1003","","","","","","","","","","","","","","","","","","","","ACTB-1003","","COCC1=C(N2C(=C1C3=CC(=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)F)C(=NC=N2)N)CN5CCOCC5","GZPJCJKUZPUFAL-UHFFFAOYSA-N","23653175",NA,"PDBC30969","799324","Present"
-"Actinobolin","","","","","","","","","","","","","","","","","","","","Actinobolin","","CC1C(C2C(C(CC(=C2C(=O)O1)O)O)O)NC(=O)C(C)N","PQVQBAAWCOTEBG-NSVWQLETSA-N","54688606",NA,"PDBC30970","31083","Present"
-"Actinomycete fermentation product","","","","","","","","","","","","","","","","","","","","Piperazinedione","","C1CC(NCC1Cl)C2C(=O)NC(C(=O)N2)C3CCC(CN3)Cl.Cl","DWDDRBRKQBGRAJ-ZARMYCFFSA-N","54601151",NA,"PDBC30971","135758","Present"
-"Actinomycin C2","","","","","","","","","","","","","","","","","","","","Actinomycin C3","","CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)N)C)C(C)C)C)C","QCXJFISCRQIYID-UHFFFAOYSA-N","122716",NA,"PDBC30972","87221","Present"
-"Actinomycin C3","","","","","","","","","","","","","","","","","","","","actinomycin vii","","CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)CC)C)C)C(C)C)C)N)C)C)C(C)C)C)C","XLGPRYUFOGVPMM-UHFFFAOYSA-N","122799",NA,"PDBC30973","87222","Present"
-"Actinomycin D","","","","","","","","","","","","","","","","","","","","NSC684906","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C","RJURFGZVJUQBHK-UHFFFAOYSA-N","2019",NA,"PDBC30974","684906","Present"
-"Actinomycin D 3-phenyloxazinone","","","","","","","","","","","","","","","","","","","","ACTINOMYCIN D 3-PHENYLOXAZINONE","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(N4)C(=C6C(=C5C)OC(=O)C(=N6)C7=CC=CC=C7)C(=O)NC8C(OC(=O)C(N(C(=O)CN(C(=O)C9CCCN9C(=O)C(NC8=O)C(C)C)C)C)C(C)C)C","VGEQFUNTHQCTFN-UHFFFAOYSA-N","16130056",NA,"PDBC30975","339281","Present"
-"Actinomycin Pip T.beta.","","","","","","","","","","","","","","","","","","","","Actinomycin Pip T.beta.","","","","",NA,"PDBC30976","107660","Present"
-"Actinomycin X4357G methoxime","","","","","","","","","","","","","","","","","","","","actinomycin x4357g methoxime","","CC1CC(C2N1C(=O)C(NC(=O)C(C(OC(=O)C(N(C(=O)CN(C2=O)C)C)C(C)C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7C(=NOC)CC(N7C(=O)C(NC6=O)C(C)C)C)C)C)C)CO)N)C)C(C)C)O","LKRXOOYADFIOCG-MLWWKLAPSA-N","9573583",NA,"PDBC30977","237671","Present"
-"Actinorubin","","","","","","","","","","","","","","","","","","","","Actinorubin","","","","",NA,"PDBC30978","124668","Present"
-"Actinospectacin, hydrochloride","","","","","","","","","","","","","","","","","","","","Spectinomycin Hydrochloride","","CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.Cl","BIPVCOUVVAMJMZ-UHFFFAOYSA-N","24192110",NA,"PDBC30979","248616","Present"
-"Actinosporins A","","","","","","","","","","","","","","","","","","","","Actinosporin analogue","","CC1C(C(C(C(O1)OC2=CC(=CC3=CC(=C4C(=C32)C(=O)C5=C(C4=O)C(=CC=C5)O)OC6C(C(C(C(O6)C)O)O)O)C)O)O)O","OZKCRADDDAPORM-IKSNLRTHSA-N","118715855",NA,"PDBC30980","789935","Present"
-"Actodigin","","","","","","","","","","","","","","","","","","","","actinogen","","CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CCOC5=O)O)C)OC6C(C(C(C(O6)CO)O)O)O","ACLJAFRNPZVVIW-SBCQLKMNSA-N","243498",NA,"PDBC30981","53396","Present"
-"Acyclic Butynebispurine","","","","","","","","","","","","","","","","","","","","Acyclic Butynebispurine","","C1=NC2=C(N1CC#CCN3C=NC4=C3N=C(N=C4Cl)Cl)N=C(N=C2Cl)Cl","RRIJYUPXUPUNDA-UHFFFAOYSA-N","45028240",NA,"PDBC30982","741853","Present"
-"Acyclic cis-Butenebispurine","","","","","","","","","","","","","","","","","","","","Acyclic cis-Butenebispurine","","C1=NC2=C(N1CC=CCN3C=NC4=C3N=C(N=C4Cl)Cl)N=C(N=C2Cl)Cl","QFBSXOFILLQVEF-UPHRSURJSA-N","45028238",NA,"PDBC30983","741851","Present"
-"Acyclic trans-Butenebispurine","","","","","","","","","","","","","","","","","","","","Acyclic trans-Butenebispurine","","C1=NC2=C(N1CC=CCN3C=NC4=C3N=C(N=C4Cl)Cl)N=C(N=C2Cl)Cl","QFBSXOFILLQVEF-OWOJBTEDSA-N","45028237",NA,"PDBC30984","741850","Present"
-"Acylfulvene","","","","","","","","","","","","","","","","","","","","Acylfulvene","","CC1=CC2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C","HLAKJNQXUARACO-ZDUSSCGKSA-N","365701",NA,"PDBC30985","633555","Present"
-"Acylphloroglucinol","","","","","","","","","","","","","","","","","","","","Acylphloroglucinol","","CC(=CCC1CC2(C(=O)C(C1(C)C)(C(=O)C(C2=O)(C(=O)C3=CC=CC=C3)OC4(C(=O)C5(CC(C(C(C5=O)(C4=O)CC=C(C)C)(C)C)CC=C(C)C)CC=C(C)C)C(=O)C6=CC=CC=C6)CC=C(C)C)CC=C(C)C)C","VNAUOAOXUMKHCP-YGCNKQRNSA-N","155809407",NA,"PDBC30986","799227","Present"
-"Adamantan-1-amine, N-(4-methoxybenzylidene)-","","","","","","","","","","","","","","","","","","","","TimTec1_004449","","COC1=CC=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3","CIJYMDAJQWMQSG-UHFFFAOYSA-N","365171",NA,"PDBC30987","632381","Present"
-"Adamotyl ara-C","","","","","","","","","","","","","","","","","","","","adoca","","C1C2CC3CC1CC(C2)(C3)C(=O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O","NMANUXYHRYVLDW-UHFFFAOYSA-N","272892",NA,"PDBC30988","117614","Present"
-"Adaphostin","","","","","","","","","","","","","","","","","","","","Adaphostin","","C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O","YJZSUCFGHXQWDM-UHFFFAOYSA-N","387042",NA,"PDBC30989","680410","Present"
-"Adechlorin","","","","","","","","","","","","","","","","","","","","Adechlorin","","C1C(C2=C(NC=N1)N(C=N2)C3C(C(C(O3)CO)O)Cl)O","JYWSHPMZFVPRRF-FNIJETDKSA-N","356056",NA,"PDBC30990","611090","Present"
-"Adenallene","","","","","","","","","","","","","","","","","","","","Adenallene","","C1=NC(=C2C(=N1)[N+](=CC=CCO)C=N2)[NH-]","ISVDZARHZZIZPJ-UHFFFAOYSA-N","135436544",NA,"PDBC30991","622175","Present"
-"Adenine","","","","","","","","","","","","","","","","","","","","adenin","","C1=NC2=NC=NC(=C2N1)N","GFFGJBXGBJISGV-UHFFFAOYSA-N","190",NA,"PDBC30992","14666","Present"
-"Adenine, 9,9'ethylenebis(N,N-dimethyl-","","","","","","","","","","","","","","","","","","","","Adenine, 9,9'ethylenebis(N,N-dimethyl-","","CN(C)C1=NC=NC2=C1N=CN2CCN3C=NC4=C3N=CN=C4N(C)C","RWDBBSOPBZYBEH-UHFFFAOYSA-N","243877",NA,"PDBC30993","54101","Present"
-"Adenosine deaminase inhibitor","","","","","","","","","","","","","","","","","","","","Adenosine deaminase inhibitor","","CCCCCCC(C(C)O)N1C=NC2=C(N=CN=C21)N.Cl","VVDXNJRUNJMYOZ-VZXYPILPSA-N","24197375",NA,"PDBC30994","263164","Present"
-"Adenosine, 2'-deoxy-","","","","","","","","","","","","","","","","","","","","deoxyadenosine///.alpha.-deoxyadenosine","","C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O","OLXZPDWKRNYJJZ-UHFFFAOYSA-N","636",NA,"PDBC30995","141848///91774","Present"
-"Adenosine, 2-bromo-2'-deoxy-","","","","","","","","","","","","","","","","","","","","Adenosine, 2-bromo-2'-deoxy-","","C1C(C(OC1N2C=NC3=C(N=C(N=C32)Br)N)CO)O","UYDKYWTWCPKLJR-UHFFFAOYSA-N","334838",NA,"PDBC30996","341936","Present"
-"Adenosine, 2-chloro-","","","","","","","","","","","","","","","","","","","","9.beta.-D-Arabinofuranosyl-2-chloroadenine","","C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N","BIXYYZIIJIXVFW-UHFFFAOYSA-N","235481",NA,"PDBC30997","76356","Present"
-"Adenosine, 3'-deoxy-","","","","","","","","","","","","","","","","","","","","Cordycepin","","C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO","OFEZSBMBBKLLBJ-UHFFFAOYSA-N","248010",NA,"PDBC30998","63984","Present"
-"Adenosine, 3-deaza-","","","","","","","","","","","","","","","","","","","","deaza-ado","","C1=CN=C(C2=C1N(C=N2)C3C(C(C(O3)CO)O)O)N","DBZQFUNLCALWDY-UHFFFAOYSA-N","1651",NA,"PDBC30999","167897","Present"
-"Adenosine, 8-chloro-","","","","","","","","","","","","","","","","","","","","8-Chloro-adenosine","","C1=NC(=C2C(=N1)N(C(=N2)Cl)C3C(C(C(O3)CO)O)O)N","MHDPPLULTMGBSI-UHFFFAOYSA-N","337175",NA,"PDBC31000","354258","Present"
-"Adenosine-5'-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC137784","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)C(=O)O)O)O)N","IBYWUFHJUDTSOC-UHFFFAOYSA-N","283288",NA,"PDBC31001","137784","Present"
-"Adenostemmoside G","","","","","","","","","","","","","","","","","","","","Adenostemmoside G","","CC12CCCC(C1CCC34C2C5CC(C3)C(C4O)(O5)CO)(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O","WHWKRKUTKZNNOI-HSQBGRSESA-N","5459199",NA,"PDBC31002","643003","Present"
-"Adiantifoline","","","","","","","","","","","","","","","","","","","","Adiantifoline","","CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC","UEKRHVIBSZVFQN-UHFFFAOYSA-N","422708",NA,"PDBC31003","146267","Present"
-"Adicillinum","","","","","","","","","","","","","","","","","","","","salmotin","","CC1(C(N2C(S1)C(C2=O)NC(=O)CCCC(C(=O)O)N)C(=O)O)C","MIFYHUACUWQUKT-UHFFFAOYSA-N","270631",NA,"PDBC31004","113137","Present"
-"Adigal","","","","","","","","","","","","","","","","","","","","Adigal","","CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O","YFGQJKBUXPKSAW-UHFFFAOYSA-N","407582",NA,"PDBC31005","7532","Present"
-"Adipic acid bis(N'-salicylidene hydrazide)","","","","","","","","","","","","","","","","","","","","Adipic acid bis(N'-salicylidene hydrazide)","","C1=CC=C(C(=C1)C=NNC(=O)CCCCC(=O)NN=CC2=CC=CC=C2O)O","JLZRXDKIRXEOIZ-JZTLMNBPSA-N","135408551",NA,"PDBC31006","49495","Present"
-"Adipoguanamine","","","","","","","","","","","","","","","","","","","","Adipoguanamine","","C(CCC1=NC(=NC(=N1)N)N)CC2=NC(=NC(=N2)N)N","VVYBFJSLGGZKFD-UHFFFAOYSA-N","78042",NA,"PDBC31007","101825","Present"
-"Adozelesin","","","","","","","","","","","","","","","","","","","","Adozelesin","","CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8O7","BYRVKDUQDLJUBX-UHFFFAOYSA-N","357194",NA,"PDBC31008","615284","Present"
-"Adriamycin 14-octanoate, hydrochloride","","","","","","","","","","","","","","","","","","","","Adriamycin octanoate","","CCCCCCCC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O.Cl","PCIHZBKBBKWVRO-WLMNPPFISA-N","24193197",NA,"PDBC31009","149584","Present"
-"Adriamycin benzoate","","","","","","","","","","","","","","","","","","","","Adriamycin benzoate","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C6=CC=CC=C6)O)N)O.Cl","MIYPZEOVBCFNMU-JEVKMULKSA-N","24193199",NA,"PDBC31010","149585","Present"
-"Adriamycin nicotinate","","","","","","","","","","","","","","","","","","","","Adriamycin nicotinate","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C6=CN=CC=C6)O)N)O.Cl","DFTYWNVALAXKHG-PAMQHEOOSA-N","24193195",NA,"PDBC31011","149583","Present"
-"Aeg-40730 (iap)","","","","","","","","","","","","","","","","","","","","AEG-40730","","CC(C(C(=O)N1CCCC1CN(CCC2=CC=CC=C2)C(=O)C(F)(F)F)NC(=O)C(C)NC)OCC#CC#CCOC(C)C(C(=O)N3CCCC3CN(CCC4=CC=CC=C4)C(=O)C(F)(F)F)NC(=O)C(C)NC","BUAODJDXMGPFOY-YOQDAYAPSA-N","155807259",NA,"PDBC31012","754359","Present"
-"Africanal","","","","","","","","","","","","","","","","","","","","(+)-Africanal","","COC1=C(C=C2C(C3COC(C3(CC2=C1)O)O)C4=CC(=C(C=C4)O)OC)O","OKCDYSZILXWATF-UOWJPWOOSA-N","342943",NA,"PDBC31013","381277","Present"
-"Agaric acid","","","","","","","","","","","","","","","","","","","","agaricin","","CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O","HZLCGUXUOFWCCN-UHFFFAOYSA-N","12629",NA,"PDBC31014","65690","Present"
-"Agavoside E","","","","","","","","","","","","","","","","","","","","Agavoside E","","CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)C)OC2C(C(C(C(O2)C)O)O)O)O)O)OC2C(C(C(CO2)O)O)O)O)O)O)O)C)C)C)OC1","HYUWBRLXQLHDHD-SFECIVCUSA-N","399373",NA,"PDBC31015","710090","Present"
-"Agecorynin C","","","","","","","","","","","","","","","","","","","","agecorynin c","","COC1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC","GQZBZQRNQGILGI-UHFFFAOYSA-N","256420",NA,"PDBC31016","83279","Present"
-"Agehoustin A","","","","","","","","","","","","","","","","","","","","Agehoustin A","","COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC)OC","FQTCPUGUEKKPCH-UHFFFAOYSA-N","389483",NA,"PDBC31017","685705","Present"
-"Agehoustin B","","","","","","","","","","","","","","","","","","","","Agehoustin B","","COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC)OC","CNWLLDUECPZGHJ-UHFFFAOYSA-N","389484",NA,"PDBC31018","685706","Present"
-"Agelasine","","","","","","","","","","","","","","","","","","","","Agelasine","","","","",NA,"PDBC31019","622158","Present"
-"Agelastatin A","","","","","","","","","","","","","","","","","","","","Agelastatin A","","CN1C(=O)NC2C1(CC3C2NC(=O)C4=CC=C(N34)Br)O","MPASKXAEPUAMBS-WJOUQXRDSA-N","177936",NA,"PDBC31020","786147","Present"
-"Agn-PC-0NI2ET","","","","","","","","","","","","","","","","","","","","AGN-PC-0NI2ET","","CC(=O)OC1=C(C=C2C(=C1)C=CC3=C2[N+](=CC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)C)OC(=O)C.[O-]S(=O)(=O)F","RZLSULLBCVGHLF-UHFFFAOYSA-M","12201865",NA,"PDBC31021","180966","Present"
-"Agn-PC-0NI2EU","","","","","","","","","","","","","","","","","","","","NSC179207","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.[O-]S(=O)(=O)F","QDSPTITWFHWOTF-UHFFFAOYSA-M","12201866",NA,"PDBC31022","179207","Present"
-"Agn-PC-0NI726","","","","","","","","","","","","","","","","","","","","AGN-PC-0NI726","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC=CC=C4C=C3)OC)OC.[Cl-]","OAQGFZSRPGOVME-UHFFFAOYSA-M","12237796",NA,"PDBC31023","246012","Present"
-"Agn-PC-0NI92I","","","","","","","","","","","","","","","","","","","","NSC156302","","CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.Cl","BYDVHCHTUDOXGJ-UHFFFAOYSA-N","12254669",NA,"PDBC31024","156302","Present"
-"Agn-PC-0NI9FK","","","","","","","","","","","","","","","","","","","","AGN-PC-0NI9FK","","C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=CC(=CC4=C2)Br)Br)O.Cl","SIXVCFYNOPDLLZ-UHFFFAOYSA-N","12256922",NA,"PDBC31025","305773","Present"
-"Agn-PC-0jkhes","","","","","","","","","","","","","","","","","","","","NSC107529","","C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N","WSMURVZCWHMKQP-UHFFFAOYSA-N","24040",NA,"PDBC31026","107529","Present"
-"Agn-PC-0mvjz6","","","","","","","","","","","","","","","","","","","","1,3,5-Cyclohexanetriamine, N,N',N""""-tris[(3-methyl-2-pyri...","","CC1=C(N=CC=C1)CNC2CC(CC(C2)NCC3=C(C=CC=N3)C)NCC4=C(C=CC=N4)C","NBJZSAVTZXVLDY-UHFFFAOYSA-N","9911352",NA,"PDBC31027","727152","Present"
-"Agroclavin","","","","","","","","","","","","","","","","","","","","agroclavin","","CC1=CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C","XJOOMMHNYOJWCZ-UHFFFAOYSA-N","287403",NA,"PDBC31028","93132","Present"
-"Agrocybin","","","","","","","","","","","","","","","","","","","","Agrocybin","","C(C#CC#CC#CC(=O)N)O","OXONWCQUZYDTNF-UHFFFAOYSA-N","11004",NA,"PDBC31029","636326","Present"
-"Agyptenone A","","","","","","","","","","","","","","","","","","","","Agyptenone A","","CC1COC2=C1C(=O)C(=O)C3=C(C4=C(C=C32)C(CCC4)(C)C)C","CVAVSNHQPCEPRS-JTQLQIEISA-N","366408",NA,"PDBC31030","634777","Present"
-"Ailanthinone","","","","","","","","","","","","","","","","","","","","Ailanthinone","","CCC(C)C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C","GCIFFNDSOLTCAI-UHFFFAOYSA-N","428489",NA,"PDBC31031","238187","Present"
-"Ajoene","","","","","","","","","","","","","","","","","","","","Ajoene, trans-","","C=CCSSC=CCS(=O)CC=C","IXELFRRANAOWSF-FNORWQNLSA-N","5386591",NA,"PDBC31032","614554","Present"
-"Akt1 and Akt2-IN-1","","","","","","","","","","","","","","","","","","","","CS-5181;1,6-Naphthryidin-5(6H)-one, 3-phenyl-2-[4-[[4-[5...","","C1CN(CCC1C2=NC(=NN2)C3=CC=CC=N3)CC4=CC=C(C=C4)C5=C(C=C6C(=N5)C=CNC6=O)C7=CC=CC=C7","BTUWHHFNOHVCMQ-UHFFFAOYSA-N","11656753",NA,"PDBC31033","789224","Present"
-"Alaninamide, N-acetylleucyllysyl-N1-[1-(methoxycarbonyl)cyclopentyl]-","","","","","","","","","","","","","","","","","","","","Methyl 1-[2-[[2-[(2-acetamido-4-methylpentanoyl)amino]-6-aminohexanoyl]amino]propanoylamino]cyclopentane-1-carboxylate","","CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC1(CCCC1)C(=O)OC)NC(=O)C","JEKRTKPFPZXYQP-UHFFFAOYSA-N","378126",NA,"PDBC31034","659927","Present"
-"Alanosine monosodium salt","","","","","","","","","","","","","","","","","","","","NSC153353","","C(C(C(=O)O)N)[N+](=NO)[O-].[Na+]","GHMZJZVTLXTLOF-YSMBQZINSA-N","135476722",NA,"PDBC31035","153353","Present"
-"Alantolactone","","","","","","","","","","","","","","","","","","","","NSC93131","","CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C","PXOYOCNNSUAQNS-AGNJHWRGSA-N","72724",NA,"PDBC31036","93131","Present"
-"Alatolid","","","","","","","","","","","","","","","","","","","","Alatolid","","CC(C)C(=O)OC1CC(=CCCC(=CC2C1C(=C)C(=O)O2)CO)CO","IAKJNLGPQQXWAV-XUHALDTPSA-N","5359051",NA,"PDBC31037","295426","Present"
-"Albacarcin M","","","","","","","","","","","","","","","","","","","","Albacarcin M","","CC1C(C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C)OC)OC)O)(C)O)O","BJPYMDSMDBCKEP-UHFFFAOYSA-N","174343",NA,"PDBC31038","354843","Present"
-"Aldoxorubicin","","","","","","","","","","","","","","","","","","","","aldoxorubicin","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)CCCCCN6C(=O)C=CC6=O)CO)O)N)O","OBMJQRLIQQTJLR-USGQOSEYSA-N","9810709",NA,"PDBC31039","784722","Present"
-"Alexandroside I","","","","","","","","","","","","","","","","","","","","Alexandroside I","","CC(CCC(C(C)(C)O)O)C1C(CC2(C1(CCC34C2CC(C5C3(C4)CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O","DAIWNSRTSAKURT-CJJCFMJFSA-N","379058",NA,"PDBC31040","662828","Present"
-"Alizarin","","","","","","","","","","","","","","","","","","","","Alizarin","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O","RGCKGOZRHPZPFP-UHFFFAOYSA-N","6293",NA,"PDBC31041","7212","Present"
-"Alizarine S","","","","","","","","","","","","","","","","","","","","alizarin s","","C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)S(=O)(=O)O.[Na+]","HFVAFDPGUJEFBQ-UHFFFAOYSA-N","24181320",NA,"PDBC31042","7796","Present"
-"Alkaloid isolated from West African medicinal plant","","","","","","","","","","","","","","","","","","","","Alkaloid isolated from West African medicinal plant","","","","",NA,"PDBC31043","651013","Present"
-"Allamandicin","","","","","","","","","","","","","","","","","","","","ALLAMANDICIN","","CC(C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O)O","RMYLCIMGXGYTTK-UHFFFAOYSA-N","317838",NA,"PDBC31044","251691","Present"
-"Allantodapsone","","","","","","","","","","","","","","","","","","","","1-[[[4-((4-Aminophenyl)sulfonyl)phenyl]-amino]methyl]-2,...","","C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCN3C(=O)C(=O)C(=O)NC3=O","JPOVFEACCADFBU-UHFFFAOYSA-N","234402",NA,"PDBC31045","34238","Present"
-"Allocolchicine","","","","","","","","","","","","","","","","","","","","Allocolchicine","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)C(=O)OC)OC)OC)OC","NMKUAEKKJQYLHK-UHFFFAOYSA-N","347381",NA,"PDBC31046","406042","Present"
-"Allofuranose, diisopropylidene, P-toluenesulfona","","","","","","","","","","","","","","","","","","","","Allofuranose, diisopropylidene, P-toluenesulfona","","CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC3C2OC(O3)(C)C)C4COC(O4)(C)C","FOVFLADZRUACHW-UHFFFAOYSA-N","26357",NA,"PDBC31047","14163","Present"
-"Allolaurinterol acetate","","","","","","","","","","","","","","","","","","","","Allolaurinterol acetate","","CC1C(=C)CCC1(C)C2=C(C=C(C(=C2)Br)C)OC(=O)C","LVYHDYGLTMWWKI-YVEFUNNKSA-N","14239678",NA,"PDBC31048","720798","Present"
-"Allopumiliotoxin 267a","","","","","","","","","","","","","","","","","","","","NSC699383","","CCCCC(C)C=C1CN2CCCC2C(C1O)(C)O","LWXKAVPXEDNHLL-VRUXTKGDSA-N","5470308",NA,"PDBC31049","699383","Present"
-"Allyl (2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate","","","","","","","","","","","","","","","","","","","","Allyl (2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate","","C=CCOC(=O)CN1C=CC(=O)NC1=O","FMLKEULTDWQKGO-UHFFFAOYSA-N","376608",NA,"PDBC31050","657619","Present"
-"Allyl (5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate","","","","","","","","","","","","","","","","","","","","Allyl (5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate","","CC1=CN(C(=O)NC1=O)CC(=O)OCC=C","OGDPODUWTCDHOX-UHFFFAOYSA-N","376609",NA,"PDBC31051","657620","Present"
-"Allyl (6-amino-9H-purin-9-yl)acetate","","","","","","","","","","","","","","","","","","","","Allyl (6-amino-9H-purin-9-yl)acetate","","C=CCOC(=O)CN1C=NC2=C(N=CN=C21)N","SKWUSSUTTOOGAL-UHFFFAOYSA-N","376610",NA,"PDBC31052","657621","Present"
-"Allyl 2,3-bis(3,4-dimethoxyphenyl)acrylate","","","","","","","","","","","","","","","","","","","","Allyl 2,3-bis(3,4-dimethoxyphenyl)acrylate","","COC1=C(C=C(C=C1)C=C(C2=CC(=C(C=C2)OC)OC)C(=O)OCC=C)OC","SCIJDCGJBCNTPX-ATVHPVEESA-N","5469073",NA,"PDBC31053","682566","Present"
-"Allyl 2,4,6-tribromophenyl ether","","","","","","","","","","","","","","","","","","","","2,4,6-tribromophenylallyl ether","","C=CCOC1=C(C=C(C=C1Br)Br)Br","RZLLIOPGUFOWOD-UHFFFAOYSA-N","76767",NA,"PDBC31054","35767","Present"
-"Allyl 3-(5,5-diphenyl-4H-isoxazol-2-ium-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Allyl 3-(5,5-diphenyl-4H-isoxazol-2-ium-2-yl)propanoate","","C=CCOC(=O)CC[N+]1=CCC(O1)(C2=CC=CC=C2)C3=CC=CC=C3","DJJHTELNQHAMAV-UHFFFAOYSA-N","495304",NA,"PDBC31055","649442","Present"
-"Allyl alpha, sodium salt, Tri-O-acetate, (8:3 mixture)","","","","","","","","","","","","","","","","","","","","Allyl .alpha.,.beta.-D-glucopyranoside-6-sulfonic acid, ...","","CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OCC=C)CS(=O)(=O)O.[Na+]","PNJVGLAGVJHKMH-UHFFFAOYSA-N","54611272",NA,"PDBC31056","626235","Present"
-"Allyl alpha,sodium salt (alpha,beta anomers = 6:1)","","","","","","","","","","","","","","","","","","","","Allyl .alpha.,.beta.-D-glucopyranoside-6-sulfonic acid,s...","","C=CCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.[Na+]","XQEFRUUODQPSLV-UHFFFAOYSA-N","54608764",NA,"PDBC31057","626557","Present"
-"Allylbis(2-hydroxyethyl)octadecylammonium chloride","","","","","","","","","","","","","","","","","","","","1-Octadecanaminium, N,N-bis(2-hydroxyethyl)-N-2-propenyl...","","CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C.[Cl-]","SCZZOCYLUDAHFS-UHFFFAOYSA-M","3086381",NA,"PDBC31058","176804","Present"
-"Allylhydroquinone","","","","","","","","","","","","","","","","","","","","NSC407959","","C=CCC1=C(C=CC(=C1)O)O","GUAZTQZHLVAYRM-UHFFFAOYSA-N","348577",NA,"PDBC31059","407959","Present"
-"Allyltriphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","Allyltriphenylphosphonium bromide","","C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","FWYKRJUVEOBFGH-UHFFFAOYSA-M","197740",NA,"PDBC31060","110609","Present"
-"Almeine","","","","","","","","","","","","","","","","","","","","Almeine","","CC(=C)C1CC2=C(O1)C3=CC=CC=C3N(C2=O)C","DXOQSCPOXTUANK-UHFFFAOYSA-N","183727",NA,"PDBC31061","633788","Present"
-"Alnustone","","","","","","","","","","","","","","","","","","","","HEP-DIENE-ONE DER FR ALPINA KATSUMANDAI","","C1=CC=C(C=C1)CCC(=O)C=CC=CC2=CC=CC=C2","OWMJDOUOHDOUFG-FNCQTZNRSA-N","5317598",NA,"PDBC31062","378841","Present"
-"Aloe emodin anthrone","","","","","","","","","","","","","","","","","","","","Aloe emodin anthrone","","C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)CO","AVZIASIVCYCZND-UHFFFAOYSA-N","122840",NA,"PDBC31063","658578","Present"
-"Aloe-emodin","","","","","","","","","","","","","","","","","","","","emodine","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO","YDQWDHRMZQUTBA-UHFFFAOYSA-N","10207",NA,"PDBC31064","38628","Present"
-"Aloeresin B","","","","","","","","","","","","","","","","","","","","Aloeresin B","","","","",NA,"PDBC31065","114349","Present"
-"Alofanib","","","","","","","","","","","","","","","","","","","","Alofanib","","CC1=CC(=C(C=C1C2=CN=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]","QUQGQIASFYWKAB-UHFFFAOYSA-N","86280646",NA,"PDBC31066","790182","Present"
-"Aloin A","","","","","","","","","","","","","","","","","","","","ALOIN///NSC407305","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO","AFHJQYHRLPMKHU-UHFFFAOYSA-N","313325",NA,"PDBC31067","227189///407305","Present"
-"Alpen","","","","","","","","","","","","","","","","","","","","ampi","","CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C","AVKUERGKIZMTKX-UHFFFAOYSA-N","2174",NA,"PDBC31068","528986","Present"
-"Alstonine hydrochloride","","","","","","","","","","","","","","","","","","","","alstonine","","CC1C2CN3C=CC4=C5C=CC=CC5=NC4=C3CC2C(=CO1)C(=O)OC.Cl","HKPNHORYVYLABA-VMESOOAKSA-N","24188474",NA,"PDBC31069","76161","Present"
-"Altemicidin","","","","","","","","","","","","","","","","","","","","Altemicidin","","CN1CC2C(CC(C2(C(=O)O)NC(=O)CS(=O)(=O)N)O)C(=C1)C(=O)N","VZRFZUPFQKSXPV-VZZGELKGSA-N","6711682",NA,"PDBC31070","636979","Present"
-"Alternariol","","","","","","","","","","","","","","","","","","","","Alternariol","","CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O","CEBXXEKPIIDJHL-UHFFFAOYSA-N","5359485",NA,"PDBC31071","638263","Present"
-"Althiomycin","","","","","","","","","","","","","","","","","","","","matamycin","","COC1=CC(=O)N(C1)C(=O)C2CSC(=N2)C(CO)NC(=O)C3=CSC(=N3)C=NO","VQQNQKXWJMRPHT-IJUHEHPCSA-N","135434097",NA,"PDBC31072","102809","Present"
-"Altiratinib","","","","","","","","","","","","","","","","","","","","Altiratinib","","C1CC1C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C(=C3)F)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F","GNNDEPIMDAZHRQ-UHFFFAOYSA-N","54576299",NA,"PDBC31073","784590","Present"
-"Alyssin","","","","","","","","","","","","","","","","","","","","methysulfinylpentenl Isothiocyanate","","CS(=O)CCCCCN=C=S","IUUQPVQTAUKPPB-UHFFFAOYSA-N","206035",NA,"PDBC31074","782920","Present"
-"Alyssonoside","","","","","","","","","","","","","","","","","","","","alyssonoside","","CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O","BVFLJHVBTFJPHJ-WDMJVSCCSA-N","45027864",NA,"PDBC31075","729644","Present"
-"Amacid Fast Orange LW","","","","","","","","","","","","","","","","","","","","Amacid Fast Orange LW","","C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)Cl.[Na+]","XTYPFQZAWUIMBY-UHFFFAOYSA-N","135421977",NA,"PDBC31076","45535","Present"
-"Amaloside A","","","","","","","","","","","","","","","","","","","","Amaloside A","","CC1C(C(CC(O1)OC2CCC3(C4CCC56C7CCC5(C4(CC=C3C2)O)OC7(OC6=O)C)C)OC)O","LFFWFWSSQJTRKO-CKDYGZRSSA-N","376236",NA,"PDBC31077","656918","Present"
-"Amaminol A","","","","","","","","","","","","","","","","","","","","Amaminol A","","CCC=CC1C=CC2CCCC2C1CCC(C(C)N)O","JCMLOIKRBBQIBA-HKYLSEBASA-N","10265530",NA,"PDBC31078","746541","Present"
-"Amaranthe","","","","","","","","","","","","","","","","","","","","NSC215207///NSC4300","","C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","GYQUGTPIDGWSFX-UHFFFAOYSA-N","135436497",NA,"PDBC31079","215207///4300","Present"
-"Amarbellisine","","","","","","","","","","","","","","","","","","","","Amarbellisine","","COC1=CC2CCN3C2C(C1O)C4=C(C3)C=C5CCOC5=C4","RUKLUTQGIAUONK-UHFFFAOYSA-N","24204348",NA,"PDBC31080","731431","Present"
-"Amberline","","","","","","","","","","","","","","","","","","","","Ambelline","","COC1CC2C3(C=C1)C(CN2CC4=C(C5=C(C=C34)OCO5)OC)O","QAHZAHIPKNLGAS-MUPGEQOCSA-N","290811",NA,"PDBC31081","155222","Present"
-"Ambewelamide A","","","","","","","","","","","","","","","","","","","","Ambewelamide A","","CCCC(=O)OC1C=C2CC34C(=O)N5C6C7C(O7)C(C=C6CC5(C(=O)N3C2C8C1O8)SS4)OC(=O)C","OBYDDBDJKUQGLS-BIQXIOCUSA-N","400501",NA,"PDBC31082","712399","Present"
-"Ambivalon hydrochloride","","","","","","","","","","","","","","","","","","","","Ambivalon hydrochloride","","C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-].Cl","ZELYQHCTXSGSGS-UHFFFAOYSA-N","6450840",NA,"PDBC31083","176555","Present"
-"Ambrosin","","","","","","","","","","","","","","","","","","","","Ambrosin","","CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C","IFXGCKRDLITNAU-UHFFFAOYSA-N","257272",NA,"PDBC31084","85235","Present"
-"Ambruticin","","","","","","","","","","","","","","","","","","","","Ambruticin","","CCC1C(=CCC(O1)C(=CC(C)C=CC2C(C2C=CC3C(C(CC(O3)CC(=O)O)O)O)C)C)C","TYIXBSJXUFTELJ-DPSHAVHNSA-N","5477541",NA,"PDBC31085","328415","Present"
-"Amchloramide","","","","","","","","","","","","","","","","","","","","Amchloramide","","CN(C)CCNC(=O)C1=CC=C(C2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)S(=O)(=O)N)Cl","NBJBYEWUDQCCEY-UHFFFAOYSA-N","364434",NA,"PDBC31086","630695","Present"
-"Amchlordimidine","","","","","","","","","","","","","","","","","","","","Amchlordimidine","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)Cl)C","ZPXXUTUFRQQFJK-UHFFFAOYSA-N","364436",NA,"PDBC31087","630697","Present"
-"Amchlorguanidine","","","","","","","","","","","","","","","","","","","","Amchlorguanidine","","CN(C)CCNC(=O)C1=CC=C(C2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)Cl","GSVHSPKUXCMLES-UHFFFAOYSA-N","364435",NA,"PDBC31088","630696","Present"
-"Amchloroxazole","","","","","","","","","","","","","","","","","","","","Amchloroxazole","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)Cl","GZGVCWYDKIBYBG-UHFFFAOYSA-N","364437",NA,"PDBC31089","630698","Present"
-"Amebacillin","","","","","","","","","","","","","","","","","","","","fumidil","","CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C","NGGMYCMLYOUNGM-DEHUIYDQSA-N","5351474",NA,"PDBC31090","9168","Present"
-"Americanolide D","","","","","","","","","","","","","","","","","","","","Americanolide D","","CC1CC2C(=C(C(=O)O2)C)CC3=C(CCC13)C","GJFWUKNHFPKSRX-PUYPPJJSSA-N","389712",NA,"PDBC31091","686292","Present"
-"Ametan-trone hydrochloride","","","","","","","","","","","","","","","","","","","","9,10-Anthracenedione, 1,4-bis[[2-[(2-hydroxyethyl)amino]...","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO.Cl","LVBWWAWEJJHBBG-UHFFFAOYSA-N","45261553",NA,"PDBC31092","290813","Present"
-"Ametantrone","","","","","","","","","","","","","","","","","","","","Ametantrone","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO","FFGSXKJJVBXWCY-UHFFFAOYSA-N","2134",NA,"PDBC31093","196473","Present"
-"Amethopterin","","","","","","","","","","","","","","","","","","","","D-Amethopterin///DL-Amethopterin","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","FBOZXECLQNJBKD-UHFFFAOYSA-N","4112",NA,"PDBC31094","117356///757113","Present"
-"Amg-337","","","","","","","","","","","","","","","","","","","","AMG-337","","CC(C1=NN=C2N1C=C(C=C2F)C3=CN(N=C3)C)N4C=CC5=C(C4=O)C=C(C=N5)OCCOC","DWHXUGDWKAIASB-CQSZACIVSA-N","44181686",NA,"PDBC31095","789223","Present"
-"Amidimidine","","","","","","","","","","","","","","","","","","","","Amidimidine","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)C","OVLGKUCOUVDMIU-UHFFFAOYSA-N","364440",NA,"PDBC31096","630701","Present"
-"Amiguanidine","","","","","","","","","","","","","","","","","","","","Amiguanidine","","CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","SCZUITFXVHBLTM-UHFFFAOYSA-N","364439",NA,"PDBC31097","630700","Present"
-"Amilamide","","","","","","","","","","","","","","","","","","","","Amilamide","","CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)S(=O)(=O)N","NYGXRFGYCRYUOJ-UHFFFAOYSA-N","364438",NA,"PDBC31098","630699","Present"
-"Amino MBF-Cl","","","","","","","","","","","","","","","","","","","","amino mbf-cl","","COC1=CC2=C(C=C1)OC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl","YDBFNALYOSVYCN-UHFFFAOYSA-N","393538",NA,"PDBC31099","695592","Present"
-"Amino MMI-CI","","","","","","","","","","","","","","","","","","","","amino mmi-ci","","COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl","HISGMJJXXLWVIF-UHFFFAOYSA-N","393533",NA,"PDBC31100","695589","Present"
-"Amino MMI-S02 CI","","","","","","","","","","","","","","","","","","","","amino mmi-s02 ci","","COC1=CC2=C(C=C1)NC(=C2)S(=O)(=O)N3CC(C4=C3C=C(C=C4)N)CCl","ISMNEULRVCNSIM-UHFFFAOYSA-N","393532",NA,"PDBC31101","695588","Present"
-"Amino(((dimethylamino)(imino)methyl)amino)thioxomethane","","","","","","","","","","","","","","","","","","","","(N,N-dimethylcarbamimidoyl)thiourea","","CN(C)C(=NC(=S)N)N","CXNDOSVLMPRBPY-UHFFFAOYSA-N","9569885",NA,"PDBC31102","622695","Present"
-"Amino(phenyl)methyl(methyl)phosphinic acid","","","","","","","","","","","","","","","","","","","","Phosphinic acid, (aminophenylmethyl)methyl-","","CP(=O)(C(C1=CC=CC=C1)N)O","CCRZRZMDDQTEAH-UHFFFAOYSA-N","382237",NA,"PDBC31103","669691","Present"
-"Amino-[3-[amino(dimethyl)azaniumyl]propyl]-dimethylazanium;bromide","","","","","","","","","","","","","","","","","","","","Amino-[3-[amino(dimethyl)azaniumyl]propyl]-dimethylazanium;bromide","","C[N+](C)(CCC[N+](C)(C)N)N.[Br-]","CMRUDEYBAAGUBO-UHFFFAOYSA-M","5351847",NA,"PDBC31104","63052","Present"
-"Amino-[6-[2-[[6-amino-1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[[2-[[6-[amino(imino)azaniumyl]-2-[[6-[amino(imino)azaniumyl]-2-[(4-methoxybenzoyl)amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-6-oxohexyl]-iminoazanium","","","","","","","","","","","","","","","","","","","","Amino-[6-[2-[[6-amino-1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[[2-[[6-[amino(imino)azaniumyl]-2-[[6-[amino(imino)azaniumyl]-2-[(4-methoxybenzoyl)amino","","CCC(C)C(C(=O)NC(CCCC[N+](=N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CCCC[N+](=N)N)NC(=O)C(CCCC[N+](=N)N)NC(=O)C2=CC=C(C=C2)OC","KQDJACGQRYZQSN-UHFFFAOYSA-Q","6712630",NA,"PDBC31105","701998","Present"
-"Amino-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-dimethylazanium;chloride","","","","","","","","","","","","","","","","","","","","Amino-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-dimethylazanium;chloride","","C[N+](C)(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)N.[Cl-]","ISCVRMGTQJUBMY-UHFFFAOYSA-M","5458678",NA,"PDBC31106","310352","Present"
-"Aminomethyl (4-bromophenyl)acetate 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","Aminomethyl (4-bromophenyl)acetate 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CC(=O)OCN)Br","MYPWTNXKXQLTLU-UHFFFAOYSA-N","290763",NA,"PDBC31107","154966","Present"
-"Aminoperezone","","","","","","","","","","","","","","","","","","","","NSC697125","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)N","XLXAGOXNBSTQMA-SECBINFHSA-N","394008",NA,"PDBC31108","697125","Present"
-"Aminopterine","","","","","","","","","","","","","","","","","","","","NSC739///NSC757427","","C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N","TVZGACDUOSZQKY-UHFFFAOYSA-N","2154",NA,"PDBC31109","739///757427","Present"
-"Aminopyrimidine (Scaffold I)","","","","","","","","","","","","","","","","","","","","ENMD-2076 Precursor","","CC1=CC(=NN1)NC2=CC(=NC(=N2)C#CC3=CC=CC=C3)N4CCN(CC4)C","YARGQNDSHRVPPT-UHFFFAOYSA-N","16223204",NA,"PDBC31110","759094","Present"
-"Aminopyrimidine-CH3","","","","","","","","","","","","","","","","","","","","Aminopyrimidine-CH3","","CC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)NC(=N2)N","UCXARMUKMKBNJB-UHFFFAOYSA-N","406278",NA,"PDBC31111","724330","Present"
-"Aminopyrimidine-F","","","","","","","","","","","","","","","","","","","","Aminopyrimidine-F","","C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(N=C(N4)N)C5=CC=C(C=C5)F","QWSJVMPESHFASZ-UHFFFAOYSA-N","406276",NA,"PDBC31112","724328","Present"
-"Aminosiline, sulfate","","","","","","","","","","","","","","","","","","","","neomycin e sulfate","","C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N.OS(=O)(=O)O","LJRDOKAZOAKLDU-UHFFFAOYSA-N","5458443",NA,"PDBC31113","227228","Present"
-"Aminothiadiazines","","","","","","","","","","","","","","","","","","","","Aminothiadiazines","","COC1=CC=C(C=C1)N=C2CSC3=NN=C(N3N2)C4=CC(=C(C=C4Cl)Cl)F","CPXVCTPPHDSYBI-UHFFFAOYSA-N","135550831",NA,"PDBC31114","742088","Present"
-"Amino{N-[(4-methylphenyl)sulfonyl]carbamoyl}sulfonic acid","","","","","","","","","","","","","","","","","","","","{[(4-Methylphenyl)sulfonyl]carbamoyl}sulfamic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NS(=O)(=O)O","QGTURJWTCFSQEV-UHFFFAOYSA-N","396499",NA,"PDBC31115","702684","Present"
-"Amiodarone hydrochloride","","","","","","","","","","","","","","","","","","","","AMIODARONE HYDROCHLORIDE///NSC85442","","CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl","ITPDYQOUSLNIHG-UHFFFAOYSA-N","441325",NA,"PDBC31116","759560///85442","Present"
-"Amioxazole","","","","","","","","","","","","","","","","","","","","Amioxazole","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C","MEPBXVRLHNVDKZ-UHFFFAOYSA-N","364441",NA,"PDBC31117","630702","Present"
-"Amlodipine","","","","","","","","","","","","","","","","","","","Amlodipine","","","CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN","HTIQEAQVCYTUBX-UHFFFAOYSA-N","2162",NA,"PDBC31118","","Absent"
-"Ammodoreim diacetate","","","","","","","","","","","","","","","","","","","","Ammodoreim diacetate","","CC(C1CCC(C12C(=O)C3=CC=CC=C3OC2=O)(C)C=C)C(=O)C(C=C(C)C)OC(=O)C","VLAIOKFPOXWDDO-UHFFFAOYSA-N","375429",NA,"PDBC31119","655151","Present"
-"Ammonia; 2,5-dimethylhexane-2,5-diamine; platinum(2+)","","","","","","","","","","","","","","","","","","","","Ammonia; 2,5-dimethylhexane-2,5-diamine; platinum(2+)","","","","",NA,"PDBC31120","632794","Present"
-"Ammonia; 2-(trichloro-$l^{4}-tellanyl)oxyoctanal","","","","","","","","","","","","","","","","","","","","Ammonia; 2-(trichloro-$l^{4}-tellanyl)oxyoctanal","","","","",NA,"PDBC31121","641010","Present"
-"Ammonia; butane-1,4-diamine; chloroplatinum(1+)","","","","","","","","","","","","","","","","","","","","Ammonia; butane-1,4-diamine; chloroplatinum(1+)","","","","",NA,"PDBC31122","632795","Present"
-"Ammonia; chloroplatinum(1+); 2,5-dimethylhexane-2,5-diamine","","","","","","","","","","","","","","","","","","","","Ammonia; chloroplatinum(1+); 2,5-dimethylhexane-2,5-diamine","","","","",NA,"PDBC31123","632797","Present"
-"Ammonia; chloroplatinum(1+); propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","Ammonia; chloroplatinum(1+); propane-1,3-diamine","","","","",NA,"PDBC31124","632796","Present"
-"Ammonia; dichloroplatinum; isoquinoline","","","","","","","","","","","","","","","","","","","","Ammonia; dichloroplatinum; isoquinoline","","","","",NA,"PDBC31125","662253","Present"
-"Ammonia; dichloroplatinum; quinoline","","","","","","","","","","","","","","","","","","","","Ammonia; dichloroplatinum; quinoline","","","","",NA,"PDBC31126","662252","Present"
-"Ammonia; iodoruthenium(1+)","","","","","","","","","","","","","","","","","","","","Ammonia; iodoruthenium(1+)","","","","",NA,"PDBC31127","617769","Present"
-"Ammonia; pentane-1,5-diamine; platinum(2+)","","","","","","","","","","","","","","","","","","","","Ammonia; pentane-1,5-diamine; platinum(2+)","","","","",NA,"PDBC31128","632792","Present"
-"Ammonium 2-nitrobutane-1-sulphonate","","","","","","","","","","","","","","","","","","","","wln: wsq1y2&nw &zh","","CCC(CS(=O)(=O)O)[N+](=O)[O-].N","IAYJTCDGIDYACG-UHFFFAOYSA-N","111185",NA,"PDBC31129","8960","Present"
-"Ammonium Trichlorotellurate","","","","","","","","","","","","","","","","","","","","Ammonium Trichlorotellurate","","","","",NA,"PDBC31130","618654","Present"
-"Ammonium salt of OMDPI","","","","","","","","","","","","","","","","","","","","Ammonium salt of OMDPI","","CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)O)OC.N","REHZVQNQRCOIJT-SHWZFQQJSA-N","402463",NA,"PDBC31131","716434","Present"
-"Ammonium sodium 21-tungsto-9-antimonate","","","","","","","","","","","","","","","","","","","","Ammonium sodium 21-tungsto-9-antimonate","","","","",NA,"PDBC31132","627460","Present"
-"Ammonium tetrathiomolybdate","","","","","","","","","","","","","","","","","","","","Ammonium tetrathiomolybdate","","","","",NA,"PDBC31133","714598","Present"
-"Ammonium, bis(2-chloroethyl)methyl(p-nitrobenzyl)-bromide","","","","","","","","","","","","","","","","","","","","adl 20","","C[N+](CCCl)(CCCl)CC1=CC=C(C=C1)[N+](=O)[O-].[Br-]","LWRFFEYYNHNRMH-UHFFFAOYSA-M","21142660",NA,"PDBC31134","71087","Present"
-"Ammonium, phenethyltrimethyl-, iodide","","","","","","","","","","","","","","","","","","","","Ammonium, phenethyltrimethyl-, iodide","","C[N+](C)(C)CCC1=CC=CC=C1.[I-]","OFZAYFUSFITYES-UHFFFAOYSA-M","14107",NA,"PDBC31135","1848","Present"
-"Ammonium, trimethyl(1-phenyldodecyl)-, p-toluenesulfonate","","","","","","","","","","","","","","","","","","","","Ammonium, trimethyl(1-phenyldodecyl)-, p-toluenesulfonate","","CCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]","YHWONCKMYWPLOG-UHFFFAOYSA-M","21144271",NA,"PDBC31136","69509","Present"
-"Ammonium,3-b]-1,4-benzothiazin-3-yl)-iodide","","","","","","","","","","","","","","","","","","","","Ammonium, trimethyl(10H-pyridazo[4,3-b]-1,4-benzothiazin...","","C[N+](C)(C)C1=NN=C2C(=C1)SC3=CC=CC=C3N2.[I-]","FVCACWMGRLJVMH-UHFFFAOYSA-M","5351718",NA,"PDBC31137","24479","Present"
-"Amphethinile","","","","","","","","","","","","","","","","","","","","1H-Indole-3-carbonitrile, 2-amino-5-(phenylthio)-","","C1=CC=C(C=C1)SC2=CC3=C(C=C2)NC(=C3C#N)N","LHNIUFUSFGYJEO-UHFFFAOYSA-N","146332",NA,"PDBC31138","383336","Present"
-"Amphomycin","","","","","","","","","","","","","","","","","","","","Amphomycin","","","","",NA,"PDBC31139","76656","Present"
-"Amquinate","","","","","","","","","","","","","","","","","","","","Amquinolate","","CCCC1=CC2=C(C=C1N(CC)CC)NC=C(C2=O)C(=O)OC","NMYCTBARPUAEQN-UHFFFAOYSA-N","28414",NA,"PDBC31140","339053","Present"
-"Amrit Kalash","","","","","","","","","","","","","","","","","","","","Amrit Kalash","","","","",NA,"PDBC31141","614487","Present"
-"Amsalog","","","","","","","","","","","","","","","","","","","","CI-921: amsacrine derivative","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NC)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.C(CS(=O)(=O)O)O","MWXDBWAFWBSGFA-UHFFFAOYSA-N","157348",NA,"PDBC31142","343499","Present"
-"Amylcinnamaldehyde","","","","","","","","","","","","","","","","","","","","jasmal","","CCCCCC(=CC1=CC=CC=C1)C=O","HMKKIXGYKWDQSV-SDNWHVSQSA-N","1623625",NA,"PDBC31143","6649","Present"
-"Amythiamicin A","","","","","","","","","","","","","","","","","","","","Amythiamicin A","","CC1=C2C(=O)NC(C3=NC(=CS3)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C8=NC(CO8)C(=O)N9CCCC9C(=O)N)C3=NC(=CS3)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C)C)C(C)C","BAGBLRBLZUISAJ-UHFFFAOYSA-N","198789",NA,"PDBC31144","677423","Present"
-"Analog of CC-1065","","","","","","","","","","","","","","","","","","","","NSC619030///NSC619031","","","","",NA,"PDBC31145","619030///619031","Present"
-"Analogue 4","","","","","","","","","","","","","","","","","","","","Analogue 4","","C1=CC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)Cl)C(=O)C1NC(=O)CNC4=C(C=C(C=C4)Cl)Cl","VHWBWHBJEXGPNM-UHFFFAOYSA-N","390408",NA,"PDBC31146","687762","Present"
-"Anamarine","","","","","","","","","","","","","","","","","","","","Anamarine","","CC(C(C(C(C=CC1CC=CC(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","IIGKKKGWVQSBLY-MDZDMXLPSA-N","5477554",NA,"PDBC31147","329499","Present"
-"Anaxirone","","","","","","","","","","","","","","","","","","","","Anaxirone","","C1C(O1)CN2C(=O)N(N(C2=O)CC3CO3)CC4CO4","ZTXDHEQQZVFGPK-UHFFFAOYSA-N","71218",NA,"PDBC31148","332488","Present"
-"Anchusoside-1","","","","","","","","","","","","","","","","","","","","Anchusoside-1","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C","LKYABSOYLMWGQR-UHFFFAOYSA-N","434119",NA,"PDBC31149","342981","Present"
-"Andirolin","","","","","","","","","","","","","","","","","","","","Andirobin","","CC1(C(C(C=CC1=O)(C)C2CCC3(C(OC(=O)C4C3(C2=C)O4)C5=COC=C5)C)CC(=O)OC)C","BFUCTROUWLSVBH-UBGAJCGWSA-N","266444",NA,"PDBC31150","104301","Present"
-"Andrastin A","","","","","","","","","","","","","","","","","","","","Andrastin A","","CC1C(=O)C2(C(=CC3C(C2(C1=O)C(=O)OC)(CCC4C3(CCC(C4(C)C)OC(=O)C)C=O)C)C)C","GRBXNADBNJGZRK-GJEDHNSHSA-N","6712564",NA,"PDBC31151","697452","Present"
-"Andromedol","","","","","","","","","","","","","","","","","","","","Andromedol","","CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C","BWMFRQKICHXLSH-UHFFFAOYSA-N","3511",NA,"PDBC31152","323778","Present"
-"Andromedotoxin","","","","","","","","","","","","","","","","","","","","gtx-i","","CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O","NXCYBYJXCJWMRY-UHFFFAOYSA-N","231125",NA,"PDBC31153","26711","Present"
-"Androst-1-en-3-one, (5-beta, 17-beta)","","","","","","","","","","","","","","","","","","","","Androst-1-en-3-one, 17-acetyloxy-5-methyl-, (5-beta, 17-...","","CC(=O)OC1CCC2C1(CCC3C2CCC4(C3(C=CC(=O)C4)C)C)C","GXMMKARTZXYAEA-YFPRSNTKSA-N","363782",NA,"PDBC31154","628995","Present"
-"Androst-4-en-3-one, 3-O-[2-(1-piperidinyl)ethyl]oxime, (17beta)-","","","","","","","","","","","","","","","","","","","","Androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-O-[2-(1-pi...","","CC12CCC(=NOCCN3CCCCC3)C=C1CCC4C2CCC5(C4CCC5(C#C)O)C","MLJQBZBIZKOJSO-GWSARYNTSA-N","6520042",NA,"PDBC31155","701575","Present"
-"Androst-4-en-3-one, 3-O-[2-(1-pyrrolidinyl)ethyl]oxime, (17beta)-","","","","","","","","","","","","","","","","","","","","Androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-O-[2-(1-py...","","CC12CCC(=NOCCN3CCCC3)C=C1CCC4C2CCC5(C4CCC5(C#C)O)C","MSACPCHIHVLAKU-IKGDYTMASA-N","6520040",NA,"PDBC31156","701574","Present"
-"Androst-4-en-3-one, 3-O-[2-(diethylamino)ethyl]oxime, (17beta)-","","","","","","","","","","","","","","","","","","","","Androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-O-[2-(diet...","","CCN(CC)CCON=C1CCC2(C3CCC4(C(C3CCC2=C1)CCC4(C#C)O)C)C","FRFIBWKMAMDHAY-IKGDYTMASA-N","6520039",NA,"PDBC31157","701573","Present"
-"Androst-5-en-17-one, 17-oxime, (3beta)-","","","","","","","","","","","","","","","","","","","","Androst-5-en-17-one, 3-acetyloxy-16-phenylmethylene-, 17...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=CC=C5)C4=NO)C)C","YDTGQMYBRWVALF-SDKGPYMASA-N","9572078",NA,"PDBC31158","701570","Present"
-"Anemonin","","","","","","","","","","","","","","","","","","","","Anemonin","","C1CC2(C13C=CC(=O)O3)C=CC(=O)O2","JLUQTCXCAFSSLD-UHFFFAOYSA-N","10496",NA,"PDBC31159","94101","Present"
-"Angeloxygrandifloric acid","","","","","","","","","","","","","","","","","","","","angelylgrandifloric acid","","CC=C(C)C(=O)OC1C(=C)C2CCC3C1(C2)CCC4C3(CCCC4(C)C(=O)O)C","BJWJSOYJPSJWKC-GIDUJCDVSA-N","5477845",NA,"PDBC31160","360852","Present"
-"Anguidine deriv 15-chloroacetylscirpene-3,4-diol","","","","","","","","","","","","","","","","","","","","ANGUIDINE DERIV 15-CHLOROACETYLSCIRPENE-3,4-DIOL","","CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)CCl","QPVVAWSGXBERRH-NCPLGYIASA-N","325730",NA,"PDBC31161","294913","Present"
-"Anhydrofusarubin lactol","","","","","","","","","","","","","","","","","","","","1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]py...","","CC1=CC2=C(C(O1)O)C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O","KBYFQSOWBFNZAW-UHFFFAOYSA-N","148043",NA,"PDBC31162","626482","Present"
-"Anhydrolycorinium chloride","","","","","","","","","","","","","","","","","","","","anhydrolycorinium chloride","","C1C[N+]2=CC3=CC4=C(C=C3C5=CC=CC1=C52)OCO4.[Cl-]","YUKCDVBATKXVAK-UHFFFAOYSA-M","181302",NA,"PDBC31163","270693","Present"
-"Aniline, 2,3-methylenedioxy-N-(2-oxazolinyl)-","","","","","","","","","","","","","","","","","","","","LS-19885","","C1COC(=N1)NC2=C3C(=CC=C2)OCO3","PHLSSDGVLBBNGZ-UHFFFAOYSA-N","33633",NA,"PDBC31164","664288","Present"
-"Aniline, 3,4-methylenedioxy-N-(2-oxazolinyl)-","","","","","","","","","","","","","","","","","","","","LS-19886","","C1COC(=N1)NC2=CC3=C(C=C2)OCO3","SMPAXXXLWWFLFY-UHFFFAOYSA-N","33632",NA,"PDBC31165","664285","Present"
-"Aniline; 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid","","","","","","","","","","","","","","","","","","","","Aniline; 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid","","C1=CC=C(C=C1)N.C(C(=O)O)(C(F)(F)F)C(F)(F)F","UZBBSNNYBDJOGU-UHFFFAOYSA-N","385605",NA,"PDBC31166","676911","Present"
-"Aniline;[hydroxy(phenyl)phosphoryl]oxy-phenylphosphinic acid","","","","","","","","","","","","","","","","","","","","diphenyldiphosphonic acid compound with aniline (1:1)","","C1=CC=C(C=C1)N.C1=CC=C(C=C1)P(=O)(O)OP(=O)(C2=CC=CC=C2)O","GONOCOYKSBKRQS-UHFFFAOYSA-N","3246213",NA,"PDBC31167","52929","Present"
-"Aniline;phenylphosphonic acid","","","","","","","","","","","","","","","","","","","","Aniline;phenylphosphonic acid","","C1=CC=C(C=C1)N.C1=CC=C(C=C1)P(=O)(O)O","SDEUFAJBZNDTEW-UHFFFAOYSA-N","243335",NA,"PDBC31168","52927","Present"
-"Anilinocarbamothioylsulfanyl(p-tolyl)mercury","","","","","","","","","","","","","","","","","","","","Anilinocarbamothioylsulfanyl(p-tolyl)mercury","","","","",NA,"PDBC31169","631946","Present"
-"Anilinopyrazole deriv. 1f","","","","","","","","","","","","","","","","","","","","GW831091X","","C1=CC(=CC=C1NC2=NNC(=C2)C3=CC(=C(C=C3)O)F)S(=O)(=O)N","QVUJFGWIMPTAEH-UHFFFAOYSA-N","135435019",NA,"PDBC31170","756400","Present"
-"Anilinopyrazole deriv. 3","","","","","","","","","","","","","","","","","","","","GW824645A","","C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NNC(=C2)C3=CC=C(C=C3)F","KTEUANCPUUWBLK-UHFFFAOYSA-N","6539626",NA,"PDBC31171","756383","Present"
-"Aniloacrone","","","","","","","","","","","","","","","","","","","","Aniloacrone","","C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O","ACOXIXFJZBWHRO-UHFFFAOYSA-N","364450",NA,"PDBC31172","630711","Present"
-"Anisatin, 6-dehydroxy-2-oxo-","","","","","","","","","","","","","","","","","","","","Anisatin, neo-, 6-dehydroxy-2-oxo-","","CC1C2CC3(C(C(=O)CC3(C14COC4=O)O)C)C(C(=O)O2)O","PKSKJUUWVGTFQJ-RXYKYZJYSA-N","375848",NA,"PDBC31173","656102","Present"
-"Anisoacrone","","","","","","","","","","","","","","","","","","","","Anisoacrone","","COC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O","WIKNBSHSJZLCES-UHFFFAOYSA-N","364452",NA,"PDBC31174","630713","Present"
-"Annamycin Liposomal","","","","","","","","","","","","","","","","","","","","Annamycin Liposomal","","","","",NA,"PDBC31175","700363","Present"
-"Annoglaucin","","","","","","","","","","","","","","","","","","","","Annoglaucin","","CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCC(CCCCCC(CC3=CC(OC3=O)C)O)O)O)O","QFFLFGFTHVFFDL-UHFFFAOYSA-N","393475",NA,"PDBC31176","695408","Present"
-"Annonacin","","","","","","","","","","","","","","","","","","","","Annonacin","","CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O","XNODZYPOIPVPRF-CGWDHHCXSA-N","354398",NA,"PDBC31177","606194","Present"
-"Annonacin A","","","","","","","","","","","","","","","","","","","","Annonacin A","","CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O","XNODZYPOIPVPRF-ZDTLKTIVSA-N","393471",NA,"PDBC31178","695404","Present"
-"Anorographolic acid","","","","","","","","","","","","","","","","","","","","ANOROGRAPHOLIC ACID","","CC12CCC(C(C1CCC(=C)C2CC(C(=CCO)C(=O)O)O)(C)CO)O","MEXBYSAGIOJJTO-QPEQYQDCSA-N","5387874",NA,"PDBC31179","629040","Present"
-"Ansamitocin deriv","","","","","","","","","","","","","","","","","","","","ANSAMITOCIN DERIV","","CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)O)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O","YQVKSZNVVCIETH-LZPFAXMTSA-N","54604600",NA,"PDBC31180","314018","Present"
-"Ansatrienin A","","","","","","","","","","","","","","","","","","","","Ansatrienin A","","CC1C(CC=CC=CC=CC(CC(=O)NC2=CC(=O)C=C(C2=O)CCC=C(C1O)C)OC)OC(=O)C(C)NC(=O)C3CCCCC3","WWUVMHRJRCRFSL-NRXKGJIXSA-N","155807092",NA,"PDBC31181","789949","Present"
-"Antacin","","","","","","","","","","","","","","","","","","","","Amuno","","CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.[K+]","CTLBXOFGMSQAQY-UHFFFAOYSA-N","20071791",NA,"PDBC31182","77541","Present"
-"Antalarmin","","","","","","","","","","","","","","","","","","","","Antalarmin","","CCCCN(CC)C1=NC(=NC2=C1C(=C(N2C3=C(C=C(C=C3C)C)C)C)C)C","IXPROWGEHNVJOY-UHFFFAOYSA-N","177990",NA,"PDBC31183","715590","Present"
-"Antcin B","","","","","","","","","","","","","","","","","","","","Antcin B","","CC1C2CC(=O)C3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C","DVORYMAGXQGBQK-BQPMOXFZSA-N","387397",NA,"PDBC31184","681145","Present"
-"Anthanthrone","","","","","","","","","","","","","","","","","","","","Anthanthron","","C1=CC2=C3C(=C1)C(=O)C4=C5C3=C(C=C2)C(=O)C6=CC=CC(=C65)C=C4","PGEHNUUBUQTUJB-UHFFFAOYSA-N","94183",NA,"PDBC31185","30986","Present"
-"Anthelmycin","","","","","","","","","","","","","","","","","","","","Anthelmycin","","C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)C(C(C(C(C(CO)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N)O)O","VQQSDVBOXQHCHU-UHFFFAOYSA-N","66365",NA,"PDBC31186","337588","Present"
-"Anthra[1,2-c]isoxazole-6,11-dione","","","","","","","","","","","","","","","","","","","","A823218","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=NOC=C4C=C3","IRIKYSAFFJRSMS-UHFFFAOYSA-N","363747",NA,"PDBC31187","628939","Present"
-"Anthra[1,9-cd]pyrazol-6(2H)-one der.","","","","","","","","","","","","","","","","","","","","Anthrapyrazole derivative","","CC(=O)O.CNCCN=C1C=CC2=C3C1=C(C4=C(C=CC(=O)C4=C3NN2CCNCCO)O)O","HWXPPHPMDNLIOG-UHFFFAOYSA-N","434731",NA,"PDBC31188","355644","Present"
-"Anthracenedione diacetate","","","","","","","","","","","","","","","","","","","","Ametantrone acetate","","CC(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO","IAGMBSXKAGFBJT-UHFFFAOYSA-N","6917684",NA,"PDBC31189","287513","Present"
-"Anthralin","","","","","","","","","","","","","","","","","","","","1,8-dihydroxyanthrone","","C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O","NUZWLKWWNNJHPT-UHFFFAOYSA-N","2202",NA,"PDBC31190","43970","Present"
-"Anthramycin methyl ether","","","","","","","","","","","","","","","","","","","","Anthramycin methyl ether","","CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)OC)C=CC(=O)N)O","YRMCBQLZVBXOSJ-PCFSSPOYSA-N","5351221",NA,"PDBC31191","106408","Present"
-"Anthranilaldehyde, phenylhydrazone","","","","","","","","","","","","","","","","","","","","Nitrin (VAN)","","C1=CC=C(C=C1)NN=CC2=CC=CC=C2N","LCPNCBSCOIMOBC-GDNBJRDFSA-N","5375979",NA,"PDBC31192","59996","Present"
-"Anthraquinone, 1-(benzathronyl-3'-amino)-","","","","","","","","","","","","","","","","","","","","Anthraquinone, 1-(benzathronyl-3'-amino)-","","C1=CC=C2C(=C1)C3=C4C(=C(C=C3)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)C=CC=C4C2=O","IYIHHRQMVJYLAX-UHFFFAOYSA-N","66496",NA,"PDBC31193","13987","Present"
-"Anti-human Fas, monoclonal","","","","","","","","","","","","","","","","","","","","Anti-human Fas, monoclonal","","","","",NA,"PDBC31194","676807","Present"
-"Antibiotic 1907-VIII","","","","","","","","","","","","","","","","","","","","antibiotic p 168","","CCC(C)C=CC(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C","FOAIGCPESMNWQP-WCWDXBQESA-N","5477807",NA,"PDBC31195","356885","Present"
-"Antibiotic 2-79-A(5)","","","","","","","","","","","","","","","","","","","","Antibiotic 2-79-A(5)","","","","",NA,"PDBC31196","600391","Present"
-"Antibiotic A-31438","","","","","","","","","","","","","","","","","","","","A 31438","","CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)O)(C)O)C)C)O)C","WWWXDCNRNMZGEN-UHFFFAOYSA-N","308371",NA,"PDBC31197","209870","Present"
-"Antibiotic AT-116","","","","","","","","","","","","","","","","","","","","pentalenolactone","","CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)O","NUPNVWUYFVEAIT-UHFFFAOYSA-N","282522",NA,"PDBC31198","136036","Present"
-"Antibiotic B 14437 (base)","","","","","","","","","","","","","","","","","","","","SANGIVAMYCIN","","C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)N","OBZJZDHRXBKKTJ-UHFFFAOYSA-N","5153",NA,"PDBC31199","65346","Present"
-"Antibiotic B 58941B","","","","","","","","","","","","","","","","","","","","Antibiotic B 58941B","","CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(C(C(O3)C)O)N(C)C)O)CC=O)C)C)C","PYLRKBRNWXMGSG-ZRDIBKRKSA-N","5358378",NA,"PDBC31200","246129","Present"
-"Antibiotic CC 1065","","","","","","","","","","","","","","","","","","","","cc-1065","","CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C7CCN(C7=C(C(=C6N5)OC)O)C(=O)C8=CC9=C1CCN(C1=C(C(=C9N8)OC)O)C(=O)N","UOWVMDUEMSNCAV-UHFFFAOYSA-N","73240",NA,"PDBC31201","298223","Present"
-"Antibiotic G 418 sulfate","","","","","","","","","","","","","","","","","","","","geneticin","","CC(C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)O)O)O.OS(=O)(=O)O","QNQZPJLBGRQFDD-UHFFFAOYSA-N","354577",NA,"PDBC31202","606702","Present"
-"Antibiotic K 252a","","","","","","","","","","","","","","","","","","","","K-252a","","CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O","KOZFSFOOLUUIGY-SOLYNIJKSA-N","3035817",NA,"PDBC31203","800777","Present"
-"Antibiotic SF 2446A1","","","","","","","","","","","","","","","","","","","","Streptomyces antibiotic SF-2446-A-1","","CC1C(C(C(C(O1)NC2=CC(=O)C3=C(C4=C(C=C3C2=O)C(=O)C5(C6=C(CC(C5(C4=O)OC)O)C=C(C(=C6O)C(=O)OC)C)O)O)OC)O)OC","QAXIGMXDHAMYPV-UHFFFAOYSA-N","197261",NA,"PDBC31204","624488","Present"
-"Antibiotic UK 63052","","","","","","","","","","","","","","","","","","","","streptomyces antibiotic","","CCC(C)SC1C2C(=O)N(C3(CC3C)C(=O)OCC(C(=O)NC(C(=O)N(C(CS1)C(=O)N(C4(CC4C)C(=O)OCC(C(=O)NC(C(=O)N2C)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O)C","VABRZWDEEDQLRD-UHFFFAOYSA-N","149070",NA,"PDBC31205","630678","Present"
-"Antibiotic X-14766A","","","","","","","","","","","","","","","","","","","","Antibiotic X-14766A","","CCOC(=O)C1C(CC(O1)C2(C(C(C3(O2)C(C=CC4(O3)C(CC(C(O4)C(C)C(=O)C(C)C(C(C)CC(C)C5=C(C=C(C(=C5C(=O)O)O)C)Cl)O)C)C)O)C)OC)C)O","NZHCPUBOSWFGNA-UHFFFAOYSA-N","434840",NA,"PDBC31206","359239","Present"
-"Antibiotic X-5108","","","","","","","","","","","","","","","","","","","","Antibiotic X-5108","","CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O","NTAHMPNXQOYXSX-LZDJHEHNSA-N","135468150",NA,"PDBC31207","233989","Present"
-"Antibiotic from Streptomyces nogalater","","","","","","","","","","","","","","","","","","","","nogalamycin","","CC1C(C(C(C(O1)OC2CC(C(C3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)N(C)C)O)O)C(=O)OC)(C)O)OC)(C)OC)OC","KGTDRFCXGRULNK-QNQBSKBHSA-N","250876",NA,"PDBC31208","70845","Present"
-"Antibiotic mixture B-1625 FA2 & FA3","","","","","","","","","","","","","","","","","","","","Antibiotic mixture B-1625 FA2 & FA3","","","","",NA,"PDBC31209","600392","Present"
-"Antimony(5+);cyclohexylmethanesulfonamide;pyridine;pentachloride","","","","","","","","","","","","","","","","","","","","NSC13950","","C1CC(CC[CH-]1)CS(=O)(=O)N.C1=CC=NC=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sb+5]","NSVXAGDVUKFJGO-UHFFFAOYSA-I","135421821",NA,"PDBC31210","13950","Present"
-"Antimony, mu-iododiiodo[mu-(4-thiomorpholinecarbodi- thi...","","","","","","","","","","","","","","","","","","","","Antimony, mu-iododiiodo[mu-(4-thiomorpholinecarbodi- thi...","","","","",NA,"PDBC31211","625499","Present"
-"Antimycin A3","","","","","","","","","","","","","","","","","","","","blastmycin","","CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C","PVEVXUMVNWSNIG-PDPGNHKXSA-N","245869",NA,"PDBC31212","58239","Present"
-"Antimycin A3 methyl ether FH-25","","","","","","","","","","","","","","","","","","","","Antimycin A3 methyl ether FH-25","","CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)CC(C)C.CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)C(C)CC","LKOJXCYSXSJOKD-GFDRACFDSA-N","6712909",NA,"PDBC31213","719664","Present"
-"Antineoplastic-108731","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-108731","","C1=CC(=CC=C1C2=CC=C(C=C2)[As](=O)(O)O)S(=O)(=O)N.N","XGZXVFYLKSNDSK-UHFFFAOYSA-N","24190450",NA,"PDBC31214","108731","Present"
-"Antineoplastic-11452","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-11452","","C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[As]=O","YUOGJQAYDKANMW-UHFFFAOYSA-N","223660",NA,"PDBC31215","11452","Present"
-"Antineoplastic-13705","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-13705","","C1=CC(=CC=C1N=NC2=CC=C(C=C2)[As](=O)(O)O)[As](=O)(O)O.[Na+]","NOKLWTBWCMWRCD-UHFFFAOYSA-N","24182103",NA,"PDBC31216","13705","Present"
-"Antineoplastic-13770","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-13770","","C1=CC(=CC=C1C(C(=O)O)O)[As](=O)(O)O.[Na+]","XZEJNJJJDFWCRA-UHFFFAOYSA-N","24182116",NA,"PDBC31217","13770","Present"
-"Antineoplastic-163966","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-163966","","C1=CC(=CC=C1NC(=O)CO)[As](=O)(O)O.[Na+]","UBGOFPKOVIKDPL-UHFFFAOYSA-N","54604418",NA,"PDBC31218","163966","Present"
-"Antineoplastic-16414","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-16414","","C[As+](C)(C1=CC(=C(C=C1)Br)[N+](=O)[O-])C2=CC(=C(C=C2)Br)[N+](=O)[O-].[N+](=O)(O)[O-]","QIRTZFGQAVHKFZ-UHFFFAOYSA-N","3246061",NA,"PDBC31219","16414","Present"
-"Antineoplastic-269184","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-269184","","C1C[P+](CC2=C(C(=C(C[P+](CC[P+](CC3=C(C(=C(C[P+]1(C4=CC=CC=C4)C5=CC=CC=C5)C(=C3Cl)Cl)Cl)Cl)(C6=CC=CC=C6)C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C(=C2Cl)Cl)Cl)Cl)(C1=CC=CC=C1)C1=CC=CC=C1","IMQIMBKGPPHTDQ-UHFFFAOYSA-N","6333574",NA,"PDBC31220","269184","Present"
-"Antineoplastic-301477","","","","","","","","","","","","","","","","","","","","antineoplastic-301477","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC","TUEYGBZZQFXBOS-FWBDKTPCSA-N","6711219",NA,"PDBC31221","301477","Present"
-"Antineoplastic-31815","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-31815","","C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])OCCO[N+](=O)[O-].[Na+]","SOGNSNWYWDZDQV-UHFFFAOYSA-N","24183928",NA,"PDBC31222","31815","Present"
-"Antineoplastic-328785","","","","","","","","","","","","","","","","","","","","antineoplastic-328785","","CC(=NN=C(N(C)C)[Se])C1=CC=CC=N1","YVSNJTUEWUFWSS-SDCOAONHSA-N","54607693",NA,"PDBC31223","328785","Present"
-"Antineoplastic-33423","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-33423","","COC1=C(C=C(C=C1)[As]=[As]C2=CC(=C(C=C2)OC)NCS(=O)(=O)O)NCS(=O)(=O)O.[Na+]","CHFWROWEVHXBCA-UHFFFAOYSA-N","54605651",NA,"PDBC31224","33423","Present"
-"Antineoplastic-353527","","","","","","","","","","","","","","","","","","","","antineoplastic-353527","","CCN(CC)CC.CCOC1=CC=C(C=C1)NC(=O)N=C=[N-].C1CC[CH-]CC1.C1CC[CH-]CC1.C1CC[CH-]CC1.[Cl-].[Sn+4]","PGFSDGCUKKYRAQ-UHFFFAOYSA-M","135502336",NA,"PDBC31225","353527","Present"
-"Antineoplastic-402867","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-402867","","CC1=C(C=C(C=C1)N)[As]=[As]C2=C(C=CC(=C2)N)C.Cl","STTMRDLBAHAVCB-UHFFFAOYSA-N","24201040",NA,"PDBC31226","402867","Present"
-"Antineoplastic-41390","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-41390","","C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[As]=O","JCBAMEPRVWICDX-UHFFFAOYSA-N","237683",NA,"PDBC31227","41390","Present"
-"Antineoplastic-615804","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-615804","","C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCNCCNCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-].Cl","NEOHHBPEWKUZMN-UHFFFAOYSA-N","355949",NA,"PDBC31228","615804","Present"
-"Antineoplastic-616241","","","","","","","","","","","","","","","","","","","","antineoplastic-616241","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)OC(=O)CN","ZCVLTIWFTLQSTM-UHFFFAOYSA-N","44324259",NA,"PDBC31229","616241","Present"
-"Antineoplastic-619178","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-619178","","C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[Co+3]","HPXVTOJGSHZXBP-UHFFFAOYSA-L","24202028",NA,"PDBC31230","619178","Present"
-"Antineoplastic-623950","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-623950","","C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)N(C4=O)CCNCCNCCNCCN5C(=O)C6=CC=CC7=CC8=CC=CC=C8C(=C76)C5=O.Cl","RUQPJRJJFTWJQK-UHFFFAOYSA-N","361120",NA,"PDBC31231","623950","Present"
-"Antineoplastic-630680","","","","","","","","","","","","","","","","","","","","antineoplastic-630680","","CC1CC12C(=O)OCC(C(=O)NC(C(=O)N(C3C(SCC(C(=O)N2C)N(C(=O)C(NC(=O)C(COC(=O)C4(CC4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC(C)C)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O","HDMUZLQWDPUHND-UHFFFAOYSA-N","149080",NA,"PDBC31232","630680","Present"
-"Antineoplastic-631448","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-631448","","CC1CC(C(=C1)C=C)(C(=O)OC)O","VTWHZNAOMGGMOV-OMNKOJBGSA-N","6711565",NA,"PDBC31233","631448","Present"
-"Antineoplastic-641318","","","","","","","","","","","","","","","","","","","","antineoplastic-641318","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCCCC(OC(=O)C)OC(=O)C)O.Cl","ARYOZYVUZMGJCZ-XJVHOXIISA-N","24202346",NA,"PDBC31234","641318","Present"
-"Antineoplastic-641319","","","","","","","","","","","","","","","","","","","","antineoplastic-641319","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCCCCC(OC(=O)C)OC(=O)C)O.Cl","VRIXQRXJYLPDBG-MHRQJLALSA-N","24202347",NA,"PDBC31235","641319","Present"
-"Antineoplastic-641320","","","","","","","","","","","","","","","","","","","","antineoplastic-641320","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCCOCC(OC(=O)C)OC(=O)C)O.Cl","NLZCIVLSMNROAW-SUCUNAMKSA-N","24202348",NA,"PDBC31236","641320","Present"
-"Antineoplastic-641321","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-641321","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N(C)CCOCC(OC(=O)C)OC(=O)C)O.Cl","NCVYBYIVTVIPQB-LJWVDRDGSA-N","24202349",NA,"PDBC31237","641321","Present"
-"Antineoplastic-641454","","","","","","","","","","","","","","","","","","","","antineoplastic-641454","","CN(C)CCNC(=O)OC1=C(C=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC.Cl","CJFQFKRQEHCVFU-CFYXSCKTSA-N","5466704",NA,"PDBC31238","641454","Present"
-"Antineoplastic-642198","","","","","","","","","","","","","","","","","","","","antineoplastic-642198","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C(CCC(=O)O)N.C(=O)(C(F)(F)F)O","BVHNLAVZJZWVIX-YSMBQZINSA-N","5466745",NA,"PDBC31239","642198","Present"
-"Antineoplastic-642294","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642294","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC=CC=C6","UILRVLMYVFCLQD-DBGJTOQZSA-N","369927",NA,"PDBC31240","642294","Present"
-"Antineoplastic-642313","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642313","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)F)OC)OC","FTBPECXVRQVZKY-UHFFFAOYSA-N","369946",NA,"PDBC31241","642313","Present"
-"Antineoplastic-642314","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642314","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC)OC","CWFCMSGWUJNTEL-UHFFFAOYSA-N","369947",NA,"PDBC31242","642314","Present"
-"Antineoplastic-642315","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642315","","CC(=O)OC1=CC=C(C=C1)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC","SGYHIXFRQZKXIO-UHFFFAOYSA-N","369948",NA,"PDBC31243","642315","Present"
-"Antineoplastic-642316","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642316","","CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC","HSTBDXBIEVMIKQ-UHFFFAOYSA-N","369949",NA,"PDBC31244","642316","Present"
-"Antineoplastic-642318","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642318","","CCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","JHMLEWBLPQMNBU-UHFFFAOYSA-N","369951",NA,"PDBC31245","642318","Present"
-"Antineoplastic-642319","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-642319","","CCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","OHTMCPHLARXTIF-UHFFFAOYSA-N","369952",NA,"PDBC31246","642319","Present"
-"Antineoplastic-643001","","","","","","","","","","","","","","","","","","","","antineoplastic-643001///antineoplastic-645645","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O.N","NYUPFPFTYCWUEZ-YSMBQZINSA-N","5466797",NA,"PDBC31247","643001///645645","Present"
-"Antineoplastic-643812","","","","","","","","","","","","","","","","","","","","antineoplastic-643812///antineoplastic-645646","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O.[Na+]","HRFFGGIUECGXRH-YSMBQZINSA-N","54598755",NA,"PDBC31248","643812///645646","Present"
-"Antineoplastic-645804","","","","","","","","","","","","","","","","","","","","antineoplastic-645804","","CN(C)CCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","SJNRPUAPZIOMGM-UHFFFAOYSA-N","371505",NA,"PDBC31249","645804","Present"
-"Antineoplastic-645806","","","","","","","","","","","","","","","","","","","","antineoplastic-645806","","C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCN(CCO)CCO.Cl","NKRPYVUCGATPEE-UHFFFAOYSA-N","371507",NA,"PDBC31250","645806","Present"
-"Antineoplastic-645807","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-645807","","CCN(CC)CCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","LOSSLHWHHZXNCI-UHFFFAOYSA-N","371508",NA,"PDBC31251","645807","Present"
-"Antineoplastic-646699","","","","","","","","","","","","","","","","","","","","antineoplastic-646699","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C(CCC(=O)O)N.Cl","JGCHTLLCPLBFEH-YSMBQZINSA-N","5466995",NA,"PDBC31252","646699","Present"
-"Antineoplastic-647246","","","","","","","","","","","","","","","","","","","","antineoplastic-647246","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC(=O)CC(C(=O)O)N.Cl","VJKRVUFIERGGGG-YSMBQZINSA-N","5467055",NA,"PDBC31253","647246","Present"
-"Antineoplastic-648767","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648767","","CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3)C#N)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O","OSIBSOLQCODQPC-ZNROEQIVSA-N","372979",NA,"PDBC31254","648767","Present"
-"Antineoplastic-648768","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648768","","CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3)O)COC(=O)C8(CS5)C9=C(CCN8)C2C=CC=CC2N9)OCO7)C)OC(=O)C)C(=C1OC)O","OZJIVYDXFPHVOA-MXJSGZPUSA-N","372980",NA,"PDBC31255","648768","Present"
-"Antineoplastic-648769","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648769","","CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=C(CCN8)C2C=CC=CC2N9)OCO7)C)OC(=O)C)C(=C1OC)O","CICTVGMESIHKMM-PDGAHDFQSA-N","372981",NA,"PDBC31256","648769","Present"
-"Antineoplastic-648770","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648770","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)Cl)OC)OC","DZYSZHGXUOUTSB-UHFFFAOYSA-N","372982",NA,"PDBC31257","648770","Present"
-"Antineoplastic-648771","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648771","","COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC","YLEQOBFRJJEUHL-UHFFFAOYSA-N","372983",NA,"PDBC31258","648771","Present"
-"Antineoplastic-648772","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648772","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC","TUPBMYHLAAQFKG-UHFFFAOYSA-N","372984",NA,"PDBC31259","648772","Present"
-"Antineoplastic-648773","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648773","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)C#N)OC)OC","BJBKMILMAFQOJV-UHFFFAOYSA-N","372985",NA,"PDBC31260","648773","Present"
-"Antineoplastic-648776","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648776","","COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC=C4F)OC)OC","FEGJGLIUPNMDQR-UHFFFAOYSA-N","372988",NA,"PDBC31261","648776","Present"
-"Antineoplastic-648778","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648778","","COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=C(C=C4)[N+](=O)[O-])OC)OC","VZUKFDZKSHWIIL-UHFFFAOYSA-N","372990",NA,"PDBC31262","648778","Present"
-"Antineoplastic-648780","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648780","","COC1=C(C(=C2C(=C1)CC(=C)C3=CC(=O)C(=CC=C32)SC)OC)OC","FUYPJTCITNJHCZ-UHFFFAOYSA-N","372992",NA,"PDBC31263","648780","Present"
-"Antineoplastic-648782","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648782","","COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CO)OC)OC","GWQSWLMEYHNEJW-UHFFFAOYSA-N","372994",NA,"PDBC31264","648782","Present"
-"Antineoplastic-648783","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648783","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC=C(C=C4)[N+](=O)[O-])OC)OC","OFHATWPEJUVRKL-UHFFFAOYSA-N","372995",NA,"PDBC31265","648783","Present"
-"Antineoplastic-648784","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648784","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC=C(C=C4)C#N)OC)OC","PEHBKWRZINGKCK-UHFFFAOYSA-N","372996",NA,"PDBC31266","648784","Present"
-"Antineoplastic-648785","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648785","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC(=CC=C4)[N+](=O)[O-])OC)OC","XOWSULYKKPWVIN-UHFFFAOYSA-N","372997",NA,"PDBC31267","648785","Present"
-"Antineoplastic-648786","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648786","","COC1=C(C(=C(C=C1)CNC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC)OC","IBYUPDOODPVKHJ-UHFFFAOYSA-N","372998",NA,"PDBC31268","648786","Present"
-"Antineoplastic-648787","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648787","","COC1=CC(=CC(=C1)CNC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC","HFUAORNGBSYNJS-UHFFFAOYSA-N","372999",NA,"PDBC31269","648787","Present"
-"Antineoplastic-648788","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648788","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC(=CC=C4)C#N)OC)OC","SKBSXMPUTODDQR-UHFFFAOYSA-N","373000",NA,"PDBC31270","648788","Present"
-"Antineoplastic-648789","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648789","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC=C(C=C4)F)OC)OC","FAAULQKFYXONRY-UHFFFAOYSA-N","373001",NA,"PDBC31271","648789","Present"
-"Antineoplastic-648790","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-648790","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC=CC=C4[N+](=O)[O-])OC)OC","LQTSLJRIWRBARN-UHFFFAOYSA-N","373002",NA,"PDBC31272","648790","Present"
-"Antineoplastic-651195","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-651195","","CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)OC3CC4(C(C5C(C(CC6C5(CO6)OC(=O)C)O)(C(=O)C(C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)O)O","AEJKKYFZJQTDMD-AHCJXFNUSA-N","6712004",NA,"PDBC31273","651195","Present"
-"Antineoplastic-651590","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-651590","","CC(=NO)CCN(C)C.Cl","SLFALUZMOLNHQW-NAFXZHHSSA-N","54604785",NA,"PDBC31274","651590","Present"
-"Antineoplastic-651710","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-651710","","CC[N+]1=C(SC2=CC=CC=C21)C=CC3=C4N(C5=CC=CC=C5S4)C(=C3)C(=O)OC.[I-]","XCEYHYKIBZIKSD-UHFFFAOYSA-M","6517506",NA,"PDBC31275","651710","Present"
-"Antineoplastic-651744","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-651744","","C[N+](C)(CC1=CC=C(C=C1)NC(=O)CCCC(=O)ON2C(=O)CCC2=O)C3=CC=CC=C3.[Br-]","JQZDSTMMIXDYMH-UHFFFAOYSA-N","374245",NA,"PDBC31276","651744","Present"
-"Antineoplastic-651782","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-651782","","C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)N=C3C(=CC(=CCOC(=O)C4=CC=CC=C4)O3)OC(=O)C5=CC=CC=C5","NJJPNPFXKXYMPU-VWONKJOKSA-N","9571783",NA,"PDBC31277","651782","Present"
-"Antineoplastic-651913","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-651913","","C1=CC=C(C=C1)C2=NN3C(=C2)N=C4C(=NN(C(=C4C3=N)N)C5=CC=C(C=C5)Cl)C#N","LSENHYJYSLYMBF-UHFFFAOYSA-N","374338",NA,"PDBC31278","651913","Present"
-"Antineoplastic-655903","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-655903","","CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC","JUPMJZZCIZTCGB-VWLOTQADSA-N","375756",NA,"PDBC31279","655903","Present"
-"Antineoplastic-655904","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-655904","","CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC","NZFFRCIIGLCQFO-KRWDZBQOSA-N","375757",NA,"PDBC31280","655904","Present"
-"Antineoplastic-655905","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-655905","","CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC","JUPMJZZCIZTCGB-RUZDIDTESA-N","375758",NA,"PDBC31281","655905","Present"
-"Antineoplastic-655906","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-655906","","CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC","NZFFRCIIGLCQFO-QGZVFWFLSA-N","375759",NA,"PDBC31282","655906","Present"
-"Antineoplastic-656904","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-656904","","CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C(F)(F)F)(OC5)C(=O)OC)O)O)C)O","CURIYFAIROAUOI-YJDLXNETSA-N","376224",NA,"PDBC31283","656904","Present"
-"Antineoplastic-672552","","","","","","","","","","","","","","","","","","","","antineoplastic-672552","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C6=C(C=C5N=C4C3=C2)OCO6)N)OC(=O)CN","FFQWUYZGOQOZFW-QHCPKHFHSA-N","486156",NA,"PDBC31284","672552","Present"
-"Antineoplastic-672553","","","","","","","","","","","","","","","","","","","","antineoplastic-672553","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)OC(=O)CN","QSLKUMQVKFTQSY-QFIPXVFZSA-N","155808492",NA,"PDBC31285","672553","Present"
-"Antineoplastic-689577","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-689577","","CCC(C)(CC(C)(C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)NC3CC(OC(C3O)C)OC4CC(CC5=C4C(=C6C(=C5O)C(=O)C7=C(C6=O)C(=CC=C7)OC)O)(C(=O)CO)O)C(=O)NCC(C)O","VXUWLQLFUSXTFP-UHFFFAOYSA-N","54608780",NA,"PDBC31286","689577","Present"
-"Antineoplastic-690266","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-690266","","CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)C","DJFXWTPYURSOOJ-KSMMMRORSA-N","5469577",NA,"PDBC31287","690266","Present"
-"Antineoplastic-690267","","","","","","","","","","","","","","","","","","","","antineoplastic-690267","","CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)C","DJFXWTPYURSOOJ-ZVOCJMRISA-N","5469578",NA,"PDBC31288","690267","Present"
-"Antineoplastic-690268","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-690268","","CCCC(=O)NC1=CN(C(=C1)C(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)COC","FHSOZQXNDQCQER-LFVRLGFBSA-N","391305",NA,"PDBC31289","690268","Present"
-"Antineoplastic-690269","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-690269","","CCCC(=O)NC1=CN(C(=C1)C(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)COC","FHSOZQXNDQCQER-FATZIPQQSA-N","391306",NA,"PDBC31290","690269","Present"
-"Antineoplastic-690270","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-690270","","CCCC(=O)NC1=CN(C(=N1)C(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)COC","VEXVGFUQFNGZII-WHEQGISXSA-N","391307",NA,"PDBC31291","690270","Present"
-"Antineoplastic-690271","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-690271","","CCCC(=O)NC1=CN(C(=N1)C(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)COC","VEXVGFUQFNGZII-DMZKTXOQSA-N","391308",NA,"PDBC31292","690271","Present"
-"Antineoplastic-79529","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-79529","","C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)[As](=O)(O)O","SXZDRUAKHGHBOM-UHFFFAOYSA-N","254848",NA,"PDBC31293","79529","Present"
-"Antineoplastic-84130","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-84130","","C1=CC(=CC=C1N=NC2=C(N=C(NC2=O)N)N)[As](=O)(O)O","AXMUEPLMQDFCMR-UHFFFAOYSA-N","135403639",NA,"PDBC31294","84130","Present"
-"Antineoplastic-92893","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-92893","","C1=CC=C(C=C1)CNC2=CC=C(C=C2)[As](=O)(O)O","IOPBUKKFRCHKDR-UHFFFAOYSA-N","261033",NA,"PDBC31295","92893","Present"
-"Antineoplastic-92904","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-92904","","COC1=CC=CC=C1[As]=[As]C2=CC=CC=C2OC","YOLKXVIMUSPZJK-UHFFFAOYSA-N","261043",NA,"PDBC31296","92904","Present"
-"Antineoplastic-92909","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-92909","","C1=CC(=CC=C1NCC(=O)N)[As]=[As]C2=CC=C(C=C2)NCC(=O)N","YCEAIAPPOPKCQR-UHFFFAOYSA-N","261046",NA,"PDBC31297","92909","Present"
-"Antineoplastic-92915","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-92915","","C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[As]=[As]C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4","DMJGMSVPSALYGT-UHFFFAOYSA-N","261051",NA,"PDBC31298","92915","Present"
-"Antineoplastic-D630679","","","","","","","","","","","","","","","","","","","","antineoplastic-d630679","","CC1CC12C(=O)OCC(C(=O)NC(C(=O)N(C3C(SCC(C(=O)N2C)N(C(=O)C(NC(=O)C(COC(=O)C4(CC4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O","HBQDLHJADJTNRK-UHFFFAOYSA-N","149075",NA,"PDBC31299","630679","Present"
-"Antineoplastic-D640737","","","","","","","","","","","","","","","","","","","","azatoxin","","COC1=CC(=CC(=C1O)OC)C2C3=C(CC4N2C(=O)OC4)C5=CC=CC=C5N3","MIXLRUYCYZPSOQ-HSLMYDHPSA-N","369150",NA,"PDBC31300","640737","Present"
-"Antineoplastic-D647752","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-D647752","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)Cl)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","CFCVIJYLRRCBFF-WCYRVBQBSA-N","6711944",NA,"PDBC31301","647752","Present"
-"Antineoplastic-D647753","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-D647753","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=C(C=C5)Cl)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","HUSNEEVUDJQTBT-SUMUEXJXSA-N","6711945",NA,"PDBC31302","647753","Present"
-"Antineoplastic-D648114","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-D648114","","CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2F)N(C=C4C3=NN(C4=O)C5CCC(CC5)N(C)C)C6CC6)F.CS(=O)(=O)O","JXOGZJFJYDAGNR-UHFFFAOYSA-N","372647",NA,"PDBC31303","648114","Present"
-"Antineoplastic-D656598","","","","","","","","","","","","","","","","","","","","SF2575","","CC=C(C)C(=O)OC1C(OC(CC1O)C2=C(C3=C(C=C2)C(C4CC5C(C(=O)C(=C(C5(C(=O)C4=C3O)OC)O)C(=O)N)CC(=O)C6=CC=CC=C6O)(C)OC)O)C","BRAHPGVQCXWLHP-QQXYBPILSA-N","54708127",NA,"PDBC31304","656598","Present"
-"Antineoplaston A10","","","","","","","","","","","","","","","","","","","","NSC619130","","C1CC(=O)NC(=O)C1NC(=O)CC2=CC=CC=C2","OQGRFQCUGLKSAV-JTQLQIEISA-N","56260",NA,"PDBC31305","619130","Present"
-"Antineoplaston AS 2-1","","","","","","","","","","","","","","","","","","","","NSC627997","","","","",NA,"PDBC31306","627997","Present"
-"Antioxidant 80","","","","","","","","","","","","","","","","","","","","Antioxidant 80","","CC1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)C)C(C)(C)C)O)O)CC3=C(C(=CC(=C3)C)C(C)(C)C)O","LKALLEFLBKHPTQ-UHFFFAOYSA-N","66662",NA,"PDBC31307","62914","Present"
-"Antipain hydrochloride","","","","","","","","","","","","","","","","","","","","Antipain hydrochloride","","CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O.Cl","RJRYYNKRPUWLRZ-UHFFFAOYSA-N","24203250",NA,"PDBC31308","727367","Present"
-"Antiquorin","","","","","","","","","","","","","","","","","","","","Antiquorin","","CC1(C2CCC34CC(=C)C(CC3C2(CCC1=O)C)C(C4=O)O)C","UQKJSKXVMBIKGF-ZSWWFFRDSA-N","368996",NA,"PDBC31309","640504","Present"
-"Antitumor agent-3","","","","","","","","","","","","","","","","","","","","PTC-691","","C1=CC2=NC(=C(N2C=C1)C3=CSC(=N3)NC4=CC=C(C=C4)C(F)(F)F)C(F)(F)F","KYPPJHVEENIEGO-UHFFFAOYSA-N","73427118",NA,"PDBC31310","782006","Present"
-"Apalutamide","","","","","","","","","","","","","","","","","","","","ARN-509","","CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F","HJBWBFZLDZWPHF-UHFFFAOYSA-N","24872560",NA,"PDBC31311","771649","Present"
-"Apaziquone","","","","","","","","","","","","","","","","","","","","antineoplastic-382459","","CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)C=CCO","MXPOCMVWFLDDLZ-NSCUHMNNSA-N","5813717",NA,"PDBC31312","382459","Present"
-"Aphidicolin glycinate","","","","","","","","","","","","","","","","","","","","Aphidicoline glycinate","","CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(COC(=O)CN)O)(C)CO)O.Cl","SGPJMFVJKNVPLI-OUHXKYAQSA-N","54599440",NA,"PDBC31313","303812","Present"
-"Aphidicolin, 18-acetoxy","","","","","","","","","","","","","","","","","","","","18-acetoxyaphidicolin","","CC(=O)OCC1(C2CCC3CC4CC3(C2(CCC1O)C)CCC4(CO)O)C","SSEWIUPYEWEJEH-UHFFFAOYSA-N","433926",NA,"PDBC31314","339660","Present"
-"Aphidicolin, 6-B-hydroxy-","","","","","","","","","","","","","","","","","","","","APHIDICOLIN, 6-B-HYDROXY-","","CC12CCC(C(C1C(CC3C24CCC(C(C3)C4)(CO)O)O)(C)CO)O","SOPHJADXFALVLH-UHFFFAOYSA-N","433996",NA,"PDBC31315","340292","Present"
-"Aphyllinic acid","","","","","","","","","","","","","","","","","","","","Aphyllinic acid","","C1CCNC(C1)C2CC(C3CCCCN3C2)C(=O)O","VFENFLGNSRQELY-UHFFFAOYSA-N","390689",NA,"PDBC31316","688321","Present"
-"Apigenin 7-O-","","","","","","","","","","","","","","","","","","","","Apigenin 7-O-","","C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O","JBFOLLJCGUCDQP-UHFFFAOYSA-N","5387370",NA,"PDBC31317","622811","Present"
-"Apigenin 7-O-beta-D-glucoside","","","","","","","","","","","","","","","","","","","","cosmetin","","C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O","KMOUJOKENFFTPU-UHFFFAOYSA-N","5385553",NA,"PDBC31318","407303","Present"
-"Apigenin 7-O-methylglucuronide","","","","","","","","","","","","","","","","","","","","4CN-2254","","COC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O","XXKIWCKZQFBXIR-UHFFFAOYSA-N","5387369",NA,"PDBC31319","622810","Present"
-"Apigenin 7-O-neohesperidoside","","","","","","","","","","","","","","","","","","","","Rhoifolin (glycosid)","","CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O","RPMNUQRUHXIGHK-UHFFFAOYSA-N","5459217",NA,"PDBC31320","649413","Present"
-"Aplidazole C . TFA","","","","","","","","","","","","","","","","","","","","Aplidazole C . TFA","","COC1=C(C=CC(=C1)C2(C(CSSS2)O)C3=NC=CN3)O.C(=O)(C(F)(F)F)O","JRDCMJQWKVTZAB-UHFFFAOYSA-N","362402",NA,"PDBC31321","626167","Present"
-"Aplyronine A","","","","","","","","","","","","","","","","","","","","Aplyronine A","","CC1CCC(C(=CCC(CC(C=CCC(OC(=O)C=CC=CCC(C(C1O)C)OC(=O)C(COC)N(C)C)C(C)C(C(C)CCC(C(C)C(C(C)C=CN(C)C=O)OC(=O)C)OC(=O)C(C)N(C)C)O)OC)C)C)OC","JMXMEKJLQWJRHY-PNRJZHGSSA-N","10351178",NA,"PDBC31322","687160","Present"
-"Aplysamine 2","","","","","","","","","","","","","","","","","","","","Aplysamine-2","","CN(C)CCCOC1=C(C=C(C=C1Br)CCNC(=O)C(=NO)CC2=CC(=C(C=C2)OC)Br)Br","RCOAHKXJTMBQLI-RRAHZORUSA-N","6411696",NA,"PDBC31323","625526","Present"
-"Aplysin","","","","","","","","","","","","","","","","","","","","Aplysin","","CC1CCC2(C1(OC3=C2C=C(C(=C3)C)Br)C)C","AZMIIVUEOLBHBL-UHFFFAOYSA-N","99997",NA,"PDBC31324","305227","Present"
-"Aplysinamisine II","","","","","","","","","","","","","","","","","","","","Aplysinamisine II","","COC1=C(C(C2(CC(=NO2)C(=O)NCCCCCN=C(N)N)C=C1Br)O)Br","GCYSDIFCRYTRFB-XJKSGUPXSA-N","6712295",NA,"PDBC31325","666271","Present"
-"Aplysinamisine III","","","","","","","","","","","","","","","","","","","","Aplysinamisine III","","CC(=O)NCC(C1=CC(=C(C(=C1)Br)OCCCNC(=O)C2=NOC3(C2)C=C(C(=C(C3O)Br)OC)Br)Br)O","WGLJDQYUOYCSPY-GCXSUNMLSA-N","6712296",NA,"PDBC31326","666272","Present"
-"Aplysistatin","","","","","","","","","","","","","","","","","","","","Aplysistatin","","CC1(C(CCC2(C1CC=C3C(O2)COC3=O)C)Br)C","BEMNKPXNGWTBLQ-UHFFFAOYSA-N","320370",NA,"PDBC31327","267711","Present"
-"Apocannoside","","","","","","","","","","","","","","","","","","","","Apocannoside","","","","",NA,"PDBC31328","83216","Present"
-"Apogossypol","","","","","","","","","","","","","","","","","","","","Racemic Apogossypol, stabilized with  ascorbic acid","","CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(C)C)O)O)O)O)O)O)C(C)C","PBJKWGWHZVXBGU-UHFFFAOYSA-N","454878",NA,"PDBC31329","736630","Present"
-"Aponucinecarboxylic acid","","","","","","","","","","","","","","","","","","","","Aponucinecarboxylic acid","","C1CN2CC3=CCOC4CC(=O)NC5C4C3CC2C51C(=O)O","VDTLYVMJJHDZCX-UHFFFAOYSA-N","280187",NA,"PDBC31330","131614","Present"
-"Apotransferrin complexed w/ (ImH)trans-[(Im)2Cl4RuIII], ...","","","","","","","","","","","","","","","","","","","","Apotransferrin complexed w/ (ImH)trans-[(Im)2Cl4RuIII], ...","","","","",NA,"PDBC31331","719241","Present"
-"Apotransferrin complexed w/ cis-[Cl2(NH3)4RuIII]Cl, MW=2...","","","","","","","","","","","","","","","","","","","","Apotransferrin complexed w/ cis-[Cl2(NH3)4RuIII]Cl, MW=2...","","","","",NA,"PDBC31332","719240","Present"
-"Aquabis(acetato)(1,3-dionato) neodymium(III)","","","","","","","","","","","","","","","","","","","","Aquabis(acetato)(1,3-diphenylpropane-1,3-dionato) neodym...","","CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[Nd+3]","VLJPIVXOLHCRNZ-UHFFFAOYSA-M","24202400",NA,"PDBC31333","647051","Present"
-"Aquahydroxobis(1,3-dionato)lanthane(III) hemihydrate","","","","","","","","","","","","","","","","","","","","Aquahydroxobis(1,3-diphenylpropane-1,3-dionato)lanthane(...","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[OH-].[La+3]","SYYNCBAEFXNFKA-UHFFFAOYSA-N","24202399",NA,"PDBC31334","647048","Present"
-"Aquahydroxobis(1,3-dionato)neodymium(III)-hemihydrate","","","","","","","","","","","","","","","","","","","","Aquahydroxobis(1,3-diphenylpropane-1,3-dionato)neodymium...","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[OH-].[Nd+3]","QLFPWQGIPLOPHW-UHFFFAOYSA-N","24202397",NA,"PDBC31335","647042","Present"
-"Aquahydroxobis(1-phenylbutane-1,3-dionato)-europium(III)","","","","","","","","","","","","","","","","","","","","Aquahydroxobis(1-phenylbutane-1,3-dionato)- europium(III)","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[OH3+].[OH-].[Eu+3]","UPYPFYNORMASJY-UHFFFAOYSA-N","24202246",NA,"PDBC31336","634042","Present"
-"Aquahydroxobis(1-phenylbutane-1,3-dionato)neodymium(III)","","","","","","","","","","","","","","","","","","","","Aquahydroxobis(1-phenylbutane-1,3-dionato)neodymium(III)","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[OH3+].[OH-].[Nd+3]","SXKCPPMCVHZPJI-UHFFFAOYSA-N","24202205",NA,"PDBC31337","632727","Present"
-"Aquatris(1,3-dionato)neodymium(III)","","","","","","","","","","","","","","","","","","","","Aquatris(1,3-diphenylpropane-1,3-dionato)neodymium(III)","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[Nd+3]","YQAOZIYOSNSVFM-UHFFFAOYSA-O","24202395",NA,"PDBC31338","647040","Present"
-"Aquatris(1,3-dionato)yttrium(III)","","","","","","","","","","","","","","","","","","","","Aquatris(1,3-diphenylpropane-1,3-dionato)yttrium(III)","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[Y+3]","YGURBMLEMLQVPW-UHFFFAOYSA-O","24202396",NA,"PDBC31339","647041","Present"
-"Aquatris(1-phenylbutane-1,3-dionato)neodymium(III)-hydrate","","","","","","","","","","","","","","","","","","","","Aquatris(1-phenylbutane-1,3-dionato)neodymium(III)-hydrate","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[OH3+].[Nd+3]","HIWNTIWHIQIEIV-UHFFFAOYSA-O","24202394",NA,"PDBC31340","647038","Present"
-"Aquayamycin","","","","","","","","","","","","","","","","","","","","Aquayamycin","","CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5(C4(C(=O)CC(C5)(C)O)O)O)O)O)O","KCOULPRVOZDQEL-UHFFFAOYSA-N","302071",NA,"PDBC31341","184398","Present"
-"Aqueous solution of Antineoplaston A10 (NSC 377381)","","","","","","","","","","","","","","","","","","","","NSC648539","","C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O.C1=CC=C(C=C1)CC(=O)NC(=O)CCC(C(=O)O)N","BZDWFMIIEXWDDT-UHFFFAOYSA-N","372847",NA,"PDBC31342","648539","Present"
-"Aquo(3-hydroxy-2-formylpyridine)cobalt(II)","","","","","","","","","","","","","","","","","","","","Aquo(3-hydroxy-2-formylpyridine)cobalt(II)","","C1=CC=C(C=C1)N=CC2=C(C=CC=N2)[O-].[OH3+].[Co]","YTSRNBIARNSWRN-UHFFFAOYSA-N","24202174",NA,"PDBC31343","631455","Present"
-"Ara AMP disodium salt","","","","","","","","","","","","","","","","","","","","ARA-AMP","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N.[Na+]","FYWLYWMEGHCZAX-UHFFFAOYSA-N","23443702",NA,"PDBC31344","259272","Present"
-"Arabinofuranosyluracil","","","","","","","","","","","","","","","","","","","","uridin///arauridine","","C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","DRTQHJPVMGBUCF-UHFFFAOYSA-N","1177",NA,"PDBC31345","20256///68928","Present"
-"Aracytidine 5'-O-phenylphosphate","","","","","","","","","","","","","","","","","","","","Aracytidine 5'-O-phenylphosphate","","C1=CC=C(C=C1)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O","FQZYOGSMSNNTQL-UHFFFAOYSA-N","278572",NA,"PDBC31346","128280","Present"
-"Ararobinol","","","","","","","","","","","","","","","","","","","","Ararobinol","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C)C=CC=C3O","IXXWTERKUADIKZ-UHFFFAOYSA-N","438692",NA,"PDBC31347","658573","Present"
-"Arborescidine D","","","","","","","","","","","","","","","","","","","","Arborescidine D","","CN1CCC2=C3C1CCCC(N3C4=C2C=CC(=C4)Br)O","SEKCREXSGCGPFK-AWKYBWMHSA-N","378619",NA,"PDBC31348","661412","Present"
-"Ardisin","","","","","","","","","","","","","","","","","","","","Ardisin","","CCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)O)CC2=C(C(=O)C(=C(C2=O)O)CCCCCCCCCCCCC)O)O","UJRBGYWAIIVDNE-UHFFFAOYSA-N","417291",NA,"PDBC31349","88927","Present"
-"Argemonine","","","","","","","","","","","","","","","","","","","","n-methylpavin///Argemonine","","CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC","QEOWCPFWLCIQSL-UHFFFAOYSA-N","98569",NA,"PDBC31350","148823///645246","Present"
-"Argenteanone A","","","","","","","","","","","","","","","","","","","","Argenteanone A","","CC(=CC1C(C(C(O1)O)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(=O)C6(C)C)C)C)O)C","JSBYUFYDGNUXMX-ILUCISOKSA-N","391874",NA,"PDBC31351","691538","Present"
-"Argentinic acid D, methyl ester","","","","","","","","","","","","","","","","","","","","Argentinic acid D, methyl ester","","CCC(C)C(C(=O)OC1CC2(C(CC=C2C3(C1C(C(CC3OC(=O)C(C(=CC)C)O)C(C)(C)O)(C)CCC(=O)OC)C)C4CC(OC4)C=C(C)C)C)O","AYIIDASEHCSCIW-QXWMOUNQSA-N","5471744",NA,"PDBC31352","713585","Present"
-"Argopsin","","","","","","","","","","","","","","","","","","","","Argopsin","","CC1=C2C(=C(C(=C1Cl)O)C=O)OC3=C(C(=C(C(=C3OC2=O)C)OC)Cl)C","SNNDIPJEAQAKTJ-UHFFFAOYSA-N","162698",NA,"PDBC31353","646009","Present"
-"Argylioside","","","","","","","","","","","","","","","","","","","","Argylioside","","CC1CCC2C1C(OC=C2C(=O)OC3C4C=COC(C4C5(C3O5)CO)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O","XYQGKOSSVPHSBW-BCOIZJBGSA-N","378230",NA,"PDBC31354","660033","Present"
-"Aristolochic acid","","","","","","","","","","","","","","","","","","","","NSC11926///NSC50413","","COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O","BBFQZRXNYIEMAW-UHFFFAOYSA-N","2236",NA,"PDBC31355","11926///50413","Present"
-"Aristololactam","","","","","","","","","","","","","","","","","","","","Aristololactam","","COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5","MXOKGWUJNGEKBH-UHFFFAOYSA-N","96710",NA,"PDBC31356","87406","Present"
-"Aristona","","","","","","","","","","","","","","","","","","","","Aristona","","CC1(C2CC3C4N1C5C6=CC=CC=C6NC5(C4)C3(CC2=O)C)C","PWDJTEKEZQUXQT-MDMVBLKFSA-N","5468786",NA,"PDBC31357","676306","Present"
-"Aristotelinona","","","","","","","","","","","","","","","","","","","","Aristotelinona","","CC1(C2CCC3(C(C2)C(N1)C(=O)C4=C3NC5=CC=CC=C54)C)C","AHJPJJQWNMIKFL-YWOOCOOBSA-N","385193",NA,"PDBC31358","676308","Present"
-"Arsacetin","","","","","","","","","","","","","","","","","","","","Arsacetin","","CC(=O)NC1=CC=C(C=C1)[As](=O)(O)O","LTGKKKITNWDUCD-UHFFFAOYSA-N","95019",NA,"PDBC31359","13773","Present"
-"Arsanilic acid","","","","","","","","","","","","","","","","","","","","Arsanilic Acid","","C1=CC(=CC=C1N)[As](=O)(O)O","XKNKHVGWJDPIRJ-UHFFFAOYSA-N","7389",NA,"PDBC31360","2023","Present"
-"Arsenic trioxide","","","","","","","","","","","","","","","","","","","","NSC706363///NSC92859","","","","",NA,"PDBC31361","706363///92859","Present"
-"Arsenobenzene","","","","","","","","","","","","","","","","","","","","Arsenobenzene","","C1=CC=C(C=C1)[As]=[As]C2=CC=CC=C2","AWYSLGMLVOSVIS-UHFFFAOYSA-N","78277",NA,"PDBC31362","41373","Present"
-"Arteannuin","","","","","","","","","","","","","","","","","","","","qinghaosu","","CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C","BLUAFEHZUWYNDE-UHFFFAOYSA-N","2240",NA,"PDBC31363","369397","Present"
-"Arteanuine B","","","","","","","","","","","","","","","","","","","","Arteanuine B","","CC1CCC2C(=C)C(=O)OC23C1CCC4(C3O4)C","QWQSMEDUZQDVLA-DYGVALONSA-N","399753",NA,"PDBC31364","710847","Present"
-"Arteether","","","","","","","","","","","","","","","","","","","","Arteether","","CCOC1C(C2CCC(C3C24C(O1)OC(CC3)(OO4)C)C)C","NLYNIRQVMRLPIQ-XGNZRAKFSA-N","6712287",NA,"PDBC31365","665971","Present"
-"Artelasticin","","","","","","","","","","","","","","","","","","","","Artelasticin","","CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)CC=C(C)C)O)C","UEEBMAIKXXZTAU-UHFFFAOYSA-N","5471311",NA,"PDBC31366","710342","Present"
-"Artelastin","","","","","","","","","","","","","","","","","","","","Artelastin","","CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)CC=C(C)C)O)C","TVPZDSSZKMMCLB-UHFFFAOYSA-N","399488",NA,"PDBC31367","710340","Present"
-"Artelastochromene","","","","","","","","","","","","","","","","","","","","Artelastochromene","","CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C(OC5=C4C=CC(=C5)O)C=C(C)C)O)C=CC(O2)(C)C)C","NECAWZYXMSKYRB-UHFFFAOYSA-N","5471310",NA,"PDBC31368","710341","Present"
-"Artemether","","","","","","","","","","","","","","","","","","","","Artemether","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C","SXYIRMFQILZOAM-GQEXLTNXSA-N","6712286",NA,"PDBC31369","665970","Present"
-"Artemisetene","","","","","","","","","","","","","","","","","","","","Artemisetene","","CC1CCC2C(=C)C(=O)OC3C24C1CCC(O3)(OO4)C","IGEBZMMCKFUABB-LTTCQABISA-N","361042",NA,"PDBC31370","623785","Present"
-"Artemisinin dimer hemisuccinate","","","","","","","","","","","","","","","","","","","","Artemisinin Dimer","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC(COC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)OC(=O)CCC(=O)O)C","CECFVUQUCXYIPF-BKNYPEQFSA-N","54608484",NA,"PDBC31371","724910","Present"
-"Artepillin C","","","","","","","","","","","","","","","","","","","","Artepillin C","","CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C=CC(=O)O)C","KABCFARPAMSXCC-JXMROGBWSA-N","5472440",NA,"PDBC31372","718732","Present"
-"Arthrobacilin A","","","","","","","","","","","","","","","","","","","","Arthrobacilin A","","CCCCCCCCCC1CC(=O)OCC2C(C(C(C(O2)OC(CC(=O)OCC3C(C(C(C(O3)OC(CC(=O)OCC4C(C(C(C(O1)O4)O)O)O)CCCCCCCCC)O)O)O)CCCCCCCCC)O)O)O","ZSOILIACAWNDPB-YKWKOPHWSA-N","6711993",NA,"PDBC31373","650719","Present"
-"Arthropsolide A","","","","","","","","","","","","","","","","","","","","Arthropsolide A","","CC=CC1C=CC(=O)C(C12C(C(=C)OC2=O)O)O","ROOGVCKSAVTPSZ-KMSURZFUSA-N","5467970",NA,"PDBC31374","661230","Present"
-"Artocarpesin","","","","","","","","","","","","","","","","","","","","Artocarpesin","","CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)C","YWUVFGZTDLJVCR-UHFFFAOYSA-N","399491",NA,"PDBC31375","710343","Present"
-"Artocarpetin A","","","","","","","","","","","","","","","","","","","","Artocarpetin A","","CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)OC)C","RZVNDYZVNDJBPR-UHFFFAOYSA-N","390520",NA,"PDBC31376","687961","Present"
-"Artocarpin","","","","","","","","","","","","","","","","","","","","ARTOCARPIN","","CC(C)C=CC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)OC","KRGDFVQWQJIMEK-RMKNXTFCSA-N","5458461",NA,"PDBC31377","241010","Present"
-"Artocarpin derivative","","","","","","","","","","","","","","","","","","","","Artocarpin derivative","","CC(C)C=CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC(CC3)(C)C)OC","BYSBNEYAFYNBMQ-SOFGYWHQSA-N","6164928",NA,"PDBC31378","293073","Present"
-"Arylidene-4-chloro","","","","","","","","","","","","","","","","","","","","arylidene-4-chloro","","C1CC2=C(C=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","RPOYMOIGJVKJII-GXDHUFHOSA-N","24202977",NA,"PDBC31379","726423","Present"
-"Arylmethylene thiazolo","","","","","","","","","","","","","","","","","","","","Arylmethylene thiazolo","","CC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)N=C6N2C(=O)C(=CC7=CC=C(C=C7)Br)S6","JAOFGYIHLRLOEM-OVVQPSECSA-N","5473239",NA,"PDBC31380","724619","Present"
-"Arylmethylene-Br","","","","","","","","","","","","","","","","","","","","Arylmethylene-Br","","C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(N5C(=O)C(=CC6=CC=C(C=C6)Br)SC5=N4)C7=CC=C(C=C7)Br","YRMPDSAQBWTFKB-YZSQISJMSA-N","5473237",NA,"PDBC31381","724613","Present"
-"Arylmethylene-Cl","","","","","","","","","","","","","","","","","","","","Arylmethylene-Cl","","C1COC2=C(C=CC3=CC=CC=C32)C(=O)C1=CC4=CC=C(C=C4)Cl","OLGAMZBKDOAKER-SSZFMOIBSA-N","5473170",NA,"PDBC31382","724321","Present"
-"Arylpurine analogues","","","","","","","","","","","","","","","","","","","","Arylpurine analogues","","C1=CC(=CC(=C1)CCl)CN2C=NC3=C2C(=NC(=N3)Cl)Cl","SMTGTLMLUZLZRX-UHFFFAOYSA-N","24205045",NA,"PDBC31383","734077","Present"
-"Arylquin-1","","","","","","","","","","","","","","","","","","","","3-(2-fluorophenyl)-N7,N7-dimethylquinoline-2,7-diamine","","CN(C)C1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3F)N","RHAQINSYYSNKKI-UHFFFAOYSA-N","77014275",NA,"PDBC31384","783765","Present"
-"Arylsulfonamide 64B","","","","","","","","","","","","","","","","","","","","NSC763841","","CC1(C=CC2=C(O1)C=CC(=N2)CN(C3CCC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)C","CQGIUFASDNXPRB-UHFFFAOYSA-N","54575622",NA,"PDBC31385","763841","Present"
-"Arypurine derivatives","","","","","","","","","","","","","","","","","","","","arypurine derivatives","","C1=CC=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)Cl)CCl","CTVXHVIQINYLSY-UHFFFAOYSA-N","16220246",NA,"PDBC31386","733891","Present"
-"Asaley","","","","","","","","","","","","","","","","","","","","Asaley","","CCOC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C","GBPZYMBDOBODNK-UHFFFAOYSA-N","424723",NA,"PDBC31387","167780","Present"
-"Asatone","","","","","","","","","","","","","","","","","","","","ASATONE","","COC1=CC2(C(C3C(=CC2(C(=O)C3(OC)OC)OC)CC=C)C(C1=O)(OC)OC)CC=C","XBKKBTPYPCCCKA-UHFFFAOYSA-N","431129",NA,"PDBC31388","289486","Present"
-"Asbestinin 13","","","","","","","","","","","","","","","","","","","","Asbestinin 13","","CCCCCCCC(=O)OC1CC(C(=C)CC2C3C4C(CC(C3OC(=O)C)C)C(COC1(C4O2)C)C)O","ZVORBLAOXAGZMU-MMWYIHFJSA-N","387398",NA,"PDBC31389","681148","Present"
-"Asbestinin 16","","","","","","","","","","","","","","","","","","","","Asbestinin 16","","CCCCCCCC(=O)OC1CC(=O)C(=C)CC2C3C4C(CC(C3OC(=O)C)C)C(COC1(C4O2)C)C","CKFXZRZXTINEAA-FZMNOEQZSA-N","387399",NA,"PDBC31390","681149","Present"
-"Asbestinin 17","","","","","","","","","","","","","","","","","","","","Asbestinin 17","","CC1CC2C(COC3(C(CC(C(=C)CC4C(C2C3O4)C1OC(=O)C)O)OC(=O)C)C)C","LTOPWTJCEOWJJY-WPPOMFQISA-N","387400",NA,"PDBC31391","681150","Present"
-"Asbestinin-25","","","","","","","","","","","","","","","","","","","","Asbestinin-25","","CC1CC2C(COC3(CCC(C(CC4C(C2C3O4)C1OC(=O)C)(C)O)OC)C)C","SHHCCZSDXWGINH-VPDVHZRNSA-N","16099443",NA,"PDBC31392","737079","Present"
-"Asbestinin-D","","","","","","","","","","","","","","","","","","","","Asbestinin-D","","CC1CC2C(COC3(CCC=C(CC4C(C2C3O4)C1OC(=O)C)C)C)C","MDSDQZGJBVBIFN-VHCDHQDOSA-N","5388710",NA,"PDBC31393","638207","Present"
-"Asc-JM-17","","","","","","","","","","","","","","","","","","","","4-(cyclobutylmethyl)-1,7-bis(3,4-dimethoxyphenyl)-(1E,6E...","","COC1=C(C=C(C=C1)C=CC(=O)C(CC2CCC2)C(=O)C=CC3=CC(=C(C=C3)OC)OC)OC","PJOSHEDKRPRCAE-QHKWOANTSA-N","25183127",NA,"PDBC31394","795026","Present"
-"Ascididemin","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one","","C1=CC=C2C(=C1)C3=C4C(=NC=C3)C5=C(C=CC=N5)C(=O)C4=N2","BTAIBIXHXSXUFN-UHFFFAOYSA-N","189219",NA,"PDBC31395","675670","Present"
-"Asciminib","","","","","","","","","","","","","","","","","","","","ABL-001","","C1CN(CC1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4","VOVZXURTCKPRDQ-CQSZACIVSA-N","72165228",NA,"PDBC31396","789925","Present"
-"Ascochitine","","","","","","","","","","","","","","","","","","","","ascochitine","","CCC(C)C1=C(C2=CC(=O)C(=C(C2=CO1)O)C(=O)O)C","DZBCEUTUWOWUDY-ZETCQYMHSA-N","73486",NA,"PDBC31397","114344","Present"
-"Ascorbigen A","","","","","","","","","","","","","","","","","","","","Ascorbigen A","","C1C(C2C(O1)(C(C(=O)O2)(CC3=CNC4=CC=CC=C43)O)O)O","OMSJCIOTCFHSIT-UHFFFAOYSA-N","358022",NA,"PDBC31398","617744","Present"
-"Ascorbigen B, 2:1 mixture with O-alkylated product","","","","","","","","","","","","","","","","","","","","Ascorbigen B, 2:1 mixture with O-alkylated product","","C1C(C2C(O1)(C(C(=O)O2)O)OCC3=CNC4=CC=CC=C43)O.C1C(C2C(O1)(C(C(=O)O2)(CC3=CNC4=CC=CC=C43)O)O)O","WZJNESLZEVVHPY-UHFFFAOYSA-N","358023",NA,"PDBC31399","617745","Present"
-"Asiaticoside","","","","","","","","","","","","","","","","","","","","Asiaticoside","","CC1CC(C2CCC3(C4CCC5C(C4(CC=C3C2C1C)C)(CC(C(C5(C)CO)O)O)C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O","HNOOIFXGTSPBIW-UHFFFAOYSA-N","411808",NA,"PDBC31400","36002","Present"
-"Asimicin","","","","","","","","","","","","","","","","","","","","Asimicin","","CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O","MBABCNBNDNGODA-XRLPKKPGSA-N","6711271",NA,"PDBC31401","609700","Present"
-"Asimicinone","","","","","","","","","","","","","","","","","","","","Asimicinone","","CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC3CC(C(=O)O3)CC(=O)C)O)O","KGGVWMAPBXIMEM-YKUMBOSTSA-N","393461",NA,"PDBC31402","695394","Present"
-"Asn-Gln-Trp-Ala-(Sme)-Pen-Gly-His-Leu-Met-NH2","","","","","","","","","","","","","","","","","","","","Asn-Gln-Trp-Ala-(Sme)-Pen-Gly-His-Leu-Met-NH2","","CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)(C)SC)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N","XUHWYLUKONBVMW-GAFJYDGPSA-N","6711365",NA,"PDBC31403","623553","Present"
-"Asn-Gln-Trp-Ala-DTC-Gly-His-Leu-Met-NH2","","","","","","","","","","","","","","","","","","","","Asn-Gln-Trp-Ala-DTC-Gly-His-Leu-Met-NH2","","CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C2C(SCN2C(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N)(C)C","OVFGWUYSSOOKAG-UKIWQYHDSA-N","54612519",NA,"PDBC31404","623552","Present"
-"Asn-Gln-Trp-Ala-Val-Gly-(D)Phe-Leu-Met-NH2","","","","","","","","","","","","","","","","","","","","Asn-Gln-Trp-Ala-Val-Gly-(D)Phe-Leu-Met-NH2","","CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N","ACHZHXZVVIHDLU-HWVXLSRNSA-N","6711308",NA,"PDBC31405","617347","Present"
-"Asparaginase","","","","","","","","","","","","","","","","","","","","NSC109229","","","","",NA,"PDBC31406","109229","Present"
-"Asperdiol","","","","","","","","","","","","","","","","","","","","Asperdiol","","CC1=CCCC2(C(O2)CCC(=CC(C(CC1)C(=C)C)O)CO)C","FLJAFHRJXPAASR-HOZOIBKHSA-N","5358793",NA,"PDBC31407","279559","Present"
-"Asperfuran","","","","","","","","","","","","","","","","","","","","Asperfuran","","CC=CC=CC1CC2=C(O1)C(=CC(=C2)O)O","WTFIFQXTQCYJKU-JWVODRKRSA-N","11969970",NA,"PDBC31408","645021","Present"
-"Aspergillic acid, dehydrodeoxy-","","","","","","","","","","","","","","","","","","","","Aspergillic acid, dehydrodeoxy-","","CC=C(C)C1=CN=C(C(=O)N1)CC(C)C","CPEXOOKUZLOULG-UITAMQMPSA-N","54600217",NA,"PDBC31409","127444","Present"
-"Aspergillin","","","","","","","","","","","","","","","","","","","","Aspergillin","","CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O","FIVPIPIDMRVLAY-UHFFFAOYSA-N","3477",NA,"PDBC31410","102866","Present"
-"Asperilin","","","","","","","","","","","","","","","","","","","","Asperilin","","CC12CC3C(CC1C(=C)CCC2O)C(=C)C(=O)O3","GAUPAOVCTWBVKC-WPLOAARJSA-N","257274",NA,"PDBC31411","85238","Present"
-"Asperphenin A","","","","","","","","","","","","","","","","","","","","Asperphenin A","","CCCCCCCCC(CC(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CC(=O)C1=C(C(=CC(=C1)C)O)C(=O)C2=C(C=CC=C2O)O)O","HZWVBHXYQZVQTA-KFADFNFCSA-N","155807791",NA,"PDBC31412","802913","Present"
-"Aspiculamycin hcl","","","","","","","","","","","","","","","","","","","","aspiculamycin hcl","","CNCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC1C(C(C(OC1C(=O)N)N2C=CC(=NC2=O)N)O)O.Cl","AQNCGSPMFHBRMY-UHFFFAOYSA-N","54600418",NA,"PDBC31413","200692","Present"
-"Aspidospermine","","","","","","","","","","","","","","","","","","","","Aspidospermin","","CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC=C5OC)C(=O)C","ARQOGCYMPUOVHK-ZHHKINOHSA-N","227613",NA,"PDBC31414","61811","Present"
-"Asterridinone (ARD)","","","","","","","","","","","","","","","","","","","","Asterridinone (ARD)","","CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C4C(=C(C(=O)O4)C5=CN(C6=CC=CC=C65)C(C)(C)C=C)OC3=O","IRJGMAFRZLADJC-UHFFFAOYSA-N","385440",NA,"PDBC31415","676675","Present"
-"Asterriquinone","","","","","","","","","","","","","","","","","","","","Asterriquinone","","CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C(C(=O)C(=C(C3=O)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C)O","KMHWTYMNRHJTQG-UHFFFAOYSA-N","100329",NA,"PDBC31416","289487","Present"
-"Astex FGF inhibitor","","","","","","","","","","","","","","","","","","","","Astex FGF inhibitor","","C1=CC(=CC(=C1)NC(=O)NCC(F)(F)F)C2=CN=C3N2C=CC(=C3)C4=CC=C(C=C4)F","BCAIAJFLSCRMPZ-UHFFFAOYSA-N","56589626",NA,"PDBC31417","754361","Present"
-"Astrafloksin","","","","","","","","","","","","","","","","","","","","astraphloxin","","CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-]","QCGOYKXFFGQDFY-UHFFFAOYSA-M","6540442",NA,"PDBC31418","31780","Present"
-"Astragaloside II","","","","","","","","","","","","","","","","","","","","Astragaloside II","","CC(=O)OC1C(C(COC1OC2CCC34C(C2(C)C)C(CC5C3(O4)CCC6(C5(CC(C6C7(CCC(O7)C(C)(C)O)C)O)C)C)OC8C(C(C(C(O8)CO)O)O)O)O)O","FPMKTOHSPZKRET-ZTXGWKAVSA-N","369514",NA,"PDBC31419","641295","Present"
-"Astrazon Pink FG","","","","","","","","","","","","","","","","","","","","genacryl pink g","","CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCCl)C)C.[Cl-]","ZTBANYZVKCGOKD-UHFFFAOYSA-M","6433371",NA,"PDBC31420","4432","Present"
-"Atamparib","","","","","","","","","","","","","","","","","","","","RBN-2397","","CC(COCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F","UQZCQKXJAXKZQH-LBPRGKRZSA-N","146047148",NA,"PDBC31421","825956","Present"
-"Atengenal","","","","","","","","","","","","","","","","","","","","NSC377381","","C1CC(=O)NC(=O)C1NC(=O)CC2=CC=CC=C2","OQGRFQCUGLKSAV-SNVBAGLBSA-N","6711242",NA,"PDBC31422","377381","Present"
-"Atisinium chloride","","","","","","","","","","","","","","","","","","","","Atisinium chloride","","CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C=[N+](C2)CCO","RXGJFLXLQIECAN-UHFFFAOYSA-N","408707",NA,"PDBC31423","296347","Present"
-"Atorvastatin Dehydro Lactone","","","","","","","","","","","","","","","","","","","","1-[2-[(2S)-3,6-Dihydro-6-oxo-2H-pyran-2yl]-ethyl]-5-(4-f...","","CC(C)C1=C(C(=C(N1CCC2CC=CC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5","GYIXAUAZYJKKST-MHZLTWQESA-N","10186417",NA,"PDBC31424","800382","Present"
-"Atorvastatin(1-)","","","","","","","","","","","","","","","","","","","","H004","","CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4","XUKUURHRXDUEBC-KAYWLYCHSA-M","17589822",NA,"PDBC31425","779709","Present"
-"Atuveciclib Racemate","","","","","","","","","","","","","","","","","","","","BAY-1143572","","COC1=C(C=CC(=C1)F)C2=NC(=NC=N2)NC3=CC=CC(=C3)CS(=N)(=O)C","ACWKGTGIJRCOOM-UHFFFAOYSA-N","71618220",NA,"PDBC31426","786098","Present"
-"Augustine","","","","","","","","","","","","","","","","","","","","augustine","","COC1CC2C3(CCN2CC4=CC5=C(C=C43)OCO5)C6C1O6","QLRRUWXMMVXORS-NRKLIOEPSA-N","157561",NA,"PDBC31427","709251","Present"
-"Auramine O","","","","","","","","","","","","","","","","","","","","NSC4045///NSC93737","","CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl","KSCQDDRPFHTIRL-UHFFFAOYSA-N","17170",NA,"PDBC31428","4045///93737","Present"
-"Auranofin","","","","","","","","","","","","","","","","","","","","auranofin///NSC826942","","CC[PH+](CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]","AUJRCFUBUPVWSZ-UHFFFAOYSA-N","6333901",NA,"PDBC31429","321521///826942","Present"
-"Aurantiacin","","","","","","","","","","","","","","","","","","","","Aurantiacin","","C1=CC=C(C=C1)C(=O)OC2=C(C(=O)C(=C(C2=O)C3=CC=C(C=C3)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O","UFFCRNVIKXMYLJ-UHFFFAOYSA-N","261132",NA,"PDBC31430","93050","Present"
-"Aurantimycin","","","","","","","","","","","","","","","","","","","","Aurantimycin A","","CC1C(CCC(O1)(C(C)(C(=O)NC2C(OC(=O)C(N(C(=O)C3CCCNN3C(=O)CNC(=O)C(N(C(=O)C4CCCNN4C2=O)O)COC)O)C)C(C)C)O)O)CC(C)C","JSVPJXYQXDNLRD-NSCUIBACSA-N","10102093",NA,"PDBC31431","777195","Present"
-"Aurantimycin B","","","","","","","","","","","","","","","","","","","","Aurantimycin B","","CC1C(CCC(O1)(C(C)(C(=O)NC2C(OC(=O)C(N(C(=O)C3CCC=NN3C(=O)CNC(=O)C(N(C(=O)C4CCCNN4C2=O)O)COC)O)C)C(C)C)O)O)CC(C)C","HLRDKYXEOKTOGL-WNXSUJFDSA-N","387979",NA,"PDBC31432","682345","Present"
-"Aurigene Cpm 16","","","","","","","","","","","","","","","","","","","","Aurigene Cpm 16","","CC(C(C(=O)O)NC(=O)NC(CC(=O)N)C1=NC(=NO1)N2CCNCC2)O","RKAIKBRLPZSBRN-CFGJQEBVSA-N","122541438",NA,"PDBC31433","803790","Present"
-"Aurin","","","","","","","","","","","","","","","","","","","","aurin","","C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O","FYEHYMARPSSOBO-UHFFFAOYSA-N","5100",NA,"PDBC31434","7805","Present"
-"Aurintricarboxylic Acid ammonium salt","","","","","","","","","","","","","","","","","","","","Aurintricarboxylic Acid ammonium salt","","","","",NA,"PDBC31435","625770","Present"
-"Auristatin PE","","","","","","","","","","","","","","","","","","","","Auristatin PE","","CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NCCC2=CC=CC=C2)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C","DZMVCVHATYROOS-CKXIHPEFSA-N","375252",NA,"PDBC31436","654663","Present"
-"Auromomycin","","","","","","","","","","","","","","","","","","","","Auromomycin","","","","",NA,"PDBC31437","170105","Present"
-"Austidiol","","","","","","","","","","","","","","","","","","","","Austdiol","","CC1=CC2=C(C(=O)C(C(C2=CO1)O)(C)O)C=O","QVMUHZHZYCDMAI-RYUDHWBXSA-N","40604",NA,"PDBC31438","159632","Present"
-"Austrobailignan 1","","","","","","","","","","","","","","","","","","","","b809654k048","","COC1=CC(=CC2=C1OCO2)C3C4C(CC5=CC6=C(C=C35)OCO6)COC4=O","GROYKMASYUMFER-RQUSPXKASA-N","325700",NA,"PDBC31439","294826","Present"
-"Austrocortilutein","","","","","","","","","","","","","","","","","","","","Austrocortilutein","","CC1(CC(C2=C(C1)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O)O","LRHFZXBVDMVFCW-NBFOKTCDSA-N","5459129",NA,"PDBC31440","626306","Present"
-"Austrocortirubin","","","","","","","","","","","","","","","","","","","","Austrocortirubin","","CC1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C=C(C3=O)OC)O)O)O","WWTHHBSODPGTAK-VEDISBKWSA-N","5459130",NA,"PDBC31441","626307","Present"
-"Autumnolide","","","","","","","","","","","","","","","","","","","","Autumnolide","","CC1CC2C(C(C3(C1C4C(C3O)O4)C)O)C(=C)C(=O)O2","NWSWVIKHALGAER-UHFFFAOYSA-N","429184",NA,"PDBC31442","249995","Present"
-"Avapritinib","","","","","","","","","","","","","","","","","","","","BLU-285","","CC(C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N","DWYRIWUZIJHQKQ-SANMLTNESA-N","118023034",NA,"PDBC31443","801082","Present"
-"Avarol","","","","","","","","","","","","","","","","","","","","Avarol","","CC1CCC2(C(C1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C","JSPUCPNQXKTYRO-UHFFFAOYSA-N","328503",NA,"PDBC31444","306951","Present"
-"Ayanin","","","","","","","","","","","","","","","","","","","","Ayanin","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O","KPCRYSMUMBNTCK-UHFFFAOYSA-N","5280682",NA,"PDBC31445","691652","Present"
-"Aza-TdCyd","","","","","","","","","","","","","","","","","","","","5-aza-T-dCyd","","C1C(C(SC1N2C=NC(=NC2=O)N)CO)O","HOOZQNOZVFCJNL-YSLANXFLSA-N","58422926",NA,"PDBC31446","777586","Present"
-"Aza-heterocyclic Derivative, 4c","","","","","","","","","","","","","","","","","","","","Aza-heterocyclic Derivative, 4c","","C1=CC=C2C(=C1)C3=C(C2=O)N=NC(=N3)C4=CC(=CC=C4)[N+](=O)[O-]","UXOQLMUKTMDTGC-UHFFFAOYSA-N","387030",NA,"PDBC31447","680350","Present"
-"Azacridodimidine","","","","","","","","","","","","","","","","","","","","Azacridodimidine","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CN4C3=NC5=CC=CC=C5C4=O)C","GWMNXAFONQZWTO-UHFFFAOYSA-N","364448",NA,"PDBC31448","630709","Present"
-"Azacridoguanidine","","","","","","","","","","","","","","","","","","","","Azacridoguanidine","","C1=CC=C2C(=C1)C(=O)N3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","XYTUKSJGACLSMW-UHFFFAOYSA-N","364447",NA,"PDBC31449","630708","Present"
-"Azacridomide","","","","","","","","","","","","","","","","","","","","Azacridomide","","C1=CC=C2C(=C1)C(=O)N3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N","AHGBBGZQXYSBCC-UHFFFAOYSA-N","364446",NA,"PDBC31450","630707","Present"
-"Azacridoxazole","","","","","","","","","","","","","","","","","","","","Azacridoxazole","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CN4C3=NC5=CC=CC=C5C4=O","PNMUUBGBJAWRAS-UHFFFAOYSA-N","364449",NA,"PDBC31451","630710","Present"
-"Azadirachtin","","","","","","","","","","","","","","","","","","","","Azadirachtin","","CC=C(C)C(=O)OC1CC(C2(COC3C2C1(C4C5(C3O)COC4(OC6(C5(C7CC6C8(C=COC8O7)O)O)C)C(=O)OC)C)C(=O)OC)OC(=O)C","TWGPOIQWWGNBKW-OVCLIPMQSA-N","5380155",NA,"PDBC31452","368675","Present"
-"Azadiradione","","","","","","","","","","","","","","","","","","","","Azadiradione","","CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CC(=O)C(C4(CC3)C)C5=COC=C5)C)C)(C)C","KWAMDQVQFVBEAU-LVPUXVGSSA-N","363978",NA,"PDBC31453","640465","Present"
-"Azalomycin F","","","","","","","","","","","","","","","","","","","","Azalomycin F","","","","",NA,"PDBC31454","91768","Present"
-"Azane;(E)-but-2-enoate;cobalt(3+);perchlorate","","","","","","","","","","","","","","","","","","","","Pentamminecrotonatocobalt(III)perchlorate///trans-Tetramminedicronatocobalt(III)perchlorate","","CC=CC(=O)[O-].CC=CC(=O)[O-].N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","JWKKBMSFXWEBSH-XSAVSNBGSA-K","24202160",NA,"PDBC31455","630624///630662","Present"
-"Azane;2-chloroacetate;cobalt(3+);perchlorate","","","","","","","","","","","","","","","","","","","","trans-Tetrammine(bischloraceto)cobalt(III) perchlorate","","C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","XXKITYWMCOTZLI-UHFFFAOYSA-K","24202152",NA,"PDBC31456","630654","Present"
-"Azane;2-chloroacetate;hexane-1,6-diamine;platinum(4+)","","","","","","","","","","","","","","","","","","","","Azane;2-chloroacetate;hexane-1,6-diamine;platinum(4+)","","C(CCCN)CCN.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.N.N.[Pt+4].[Pt+4]","MIBZZXNFPHWVEX-UHFFFAOYSA-J","24202352",NA,"PDBC31457","641459","Present"
-"Azane;2-chloroacetate;pentane-1,5-diamine;platinum(4+)","","","","","","","","","","","","","","","","","","","","Azane;2-chloroacetate;pentane-1,5-diamine;platinum(4+)","","C(CCN)CCN.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.N.N.[Pt+4].[Pt+4]","HSVKVHHYGZTTSX-UHFFFAOYSA-J","24202354",NA,"PDBC31458","641461","Present"
-"Azane;2-ethylpropanedioate;pentane-1,5-diamine;platinum(4+)","","","","","","","","","","","","","","","","","","","","Azane;2-ethylpropanedioate;pentane-1,5-diamine;platinum(4+)","","CCC(C(=O)[O-])C(=O)[O-].CCC(C(=O)[O-])C(=O)[O-].C(CCN)CCN.N.N.[Pt+4].[Pt+4]","LELOBWCPECRXGO-UHFFFAOYSA-J","24202353",NA,"PDBC31459","641460","Present"
-"Azane;2-sulfamoyl-7H-purine-6-sulfonic acid","","","","","","","","","","","","","","","","","","","","NSC65990","","C1=NC2=C(N1)C(=NC(=N2)S(=O)(=O)N)S(=O)(=O)O.N","VJFFYUBPNOALBC-UHFFFAOYSA-N","24187586",NA,"PDBC31460","65990","Present"
-"Azane;3-(2-oxo-1H-benzo[g]quinoxalin-3-yl)propanoic acid","","","","","","","","","","","","","","","","","","","","Ammonia; 3-(2-oxo-1h-benzo[g]quinoxalin-3-yl)propanoic acid","","C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)CCC(=O)O.N","SQZFLSHFWZSPSG-UHFFFAOYSA-N","387561",NA,"PDBC31461","681484","Present"
-"Azane;3-(dimethylamino)propylcarbamodithioic acid","","","","","","","","","","","","","","","","","","","","Carbamodithioic acid, [3-(dimethylamino)propyl]-, monoam...","","CN(C)CCCNC(=S)S.N","MBRKNRQEJRITNW-UHFFFAOYSA-N","13481562",NA,"PDBC31462","150556","Present"
-"Azane;[4-[(dithiocarboxyamino)methyl]cyclohexyl]methylcarbamodithioic acid","","","","","","","","","","","","","","","","","","","","Azane;[4-[(dithiocarboxyamino)methyl]cyclohexyl]methylcarbamodithioic acid","","C1CC(CCC1CNC(=S)S)CNC(=S)S.N","RUCYZBVEMZAFSG-UHFFFAOYSA-N","54600120",NA,"PDBC31463","136468","Present"
-"Azane;bis(sulfanylidene)molybdenum(2+);sulfanide","","","","","","","","","","","","","","","","","","","","Azane;bis(sulfanylidene)molybdenum(2+);sulfanide","","N.[SH-].[SH-].S=[Mo+2]=S","BPNOCACNAOSUTF-UHFFFAOYSA-L","371818",NA,"PDBC31464","646291","Present"
-"Azane;bis(sulfanylidene)tungsten;sulfanide","","","","","","","","","","","","","","","","","","","","Azane;bis(sulfanylidene)tungsten;sulfanide","","N.[SH-].[SH-].S=[W]=S","XNNDLYXOUXXJFA-UHFFFAOYSA-L","371817",NA,"PDBC31465","646288","Present"
-"Azane;butane-1,4-diamine;2-chloroacetate;platinum(4+)","","","","","","","","","","","","","","","","","","","","Azane;butane-1,4-diamine;2-chloroacetate;platinum(4+)","","C(CCN)CN.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.N.N.[Pt+4].[Pt+4]","POPBOKAAHABYAW-UHFFFAOYSA-J","24202357",NA,"PDBC31466","641464","Present"
-"Azane;butane-1,4-diamine;cyclobutane-1,1-dicarboxylate;platinum(4+)","","","","","","","","","","","","","","","","","","","","Azane;butane-1,4-diamine;cyclobutane-1,1-dicarboxylate;platinum(4+)","","C1CC(C1)(C(=O)[O-])C(=O)[O-].C1CC(C1)(C(=O)[O-])C(=O)[O-].C(CCN)CN.N.N.[Pt+4].[Pt+4]","XDBGDWGHHOHCSS-UHFFFAOYSA-J","24202356",NA,"PDBC31467","641463","Present"
-"Azane;butane-1,4-diamine;platinum(4+);propanedioate","","","","","","","","","","","","","","","","","","","","Azane;butane-1,4-diamine;platinum(4+);propanedioate","","C(CCN)CN.C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].N.N.[Pt+4].[Pt+4]","ZITXBRITUYGAJE-UHFFFAOYSA-J","24202355",NA,"PDBC31468","641462","Present"
-"Azane;butanoate;cobalt(3+);perchlorate","","","","","","","","","","","","","","","","","","","","Pentamminebutyratocobalt(III)perchlorate///trans-Tetramminedibutyratocobalt(III)perchlorate","","CCCC(=O)[O-].N.N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","CDKJHNOTRHHINM-UHFFFAOYSA-L","24202130",NA,"PDBC31469","630619///630651","Present"
-"Azane;cobalt(3+);2,2-dichloroacetate;perchlorate","","","","","","","","","","","","","","","","","","","","cis-Tetramminebis(dichloroacetato)cobalt(III)perchlorate","","C(C(=O)[O-])(Cl)Cl.C(C(=O)[O-])(Cl)Cl.N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","JRUOYYOPZLMMCZ-UHFFFAOYSA-K","24202153",NA,"PDBC31470","630655","Present"
-"Azane;cobalt(3+);2-methylpropanoate;perchlorate","","","","","","","","","","","","","","","","","","","","trans-Tetramminediisobutyratocobalt(III)perchlorate///cis-Tetramminediisobutyratocobalt(III)perchlorate","","CC(C)C(=O)[O-].CC(C)C(=O)[O-].N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","AEJBJWQDYQGRLC-UHFFFAOYSA-K","24202151",NA,"PDBC31471","630652///630653","Present"
-"Azane;cobalt(3+);3-methylbutanoate;perchlorate","","","","","","","","","","","","","","","","","","","","Pentaammineisovaleriatocobalt(III)perchlorate///cis-Tetramminediisovaleratocobalt(III)perchlorate///trans-Tetramminediisovaleratocobalt(III)perchlorate","","CC(C)CC(=O)[O-].CC(C)CC(=O)[O-].N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","ZFJMAGYSOOVDID-UHFFFAOYSA-K","24202149",NA,"PDBC31472","630617///630649///630650","Present"
-"Azane;cobalt(3+);3-methylbutanoate;perchloric acid;perchlorate","","","","","","","","","","","","","","","","","","","","trans-Tetramminediisovaleratocobalt(III) perchlorate.HClO4","","CC(C)CC(=O)[O-].CC(C)CC(=O)[O-].N.N.N.N.OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Co+3]","PMAHQSSIBFONIB-UHFFFAOYSA-K","24202148",NA,"PDBC31473","630648","Present"
-"Azane;cobalt(3+);azide;iodide","","","","","","","","","","","","","","","","","","","","Pentammineazidocobalt(III)iodide","","N.N.N.N.N.[N-]=[N+]=[N-].[Co+3].[I-]","TVJVAPNQAXAWRT-UHFFFAOYSA-M","24202127",NA,"PDBC31474","630615","Present"
-"Azane;cobalt(3+);azide;sulfite","","","","","","","","","","","","","","","","","","","","Tetrammineazidosulfitocobalt(III)","","N.N.N.N.[N-]=[N+]=[N-].[O-]S(=O)[O-].[Co+3]","DQRNGJOFUVEBEO-UHFFFAOYSA-L","24202157",NA,"PDBC31475","630659","Present"
-"Azane;cobalt(3+);carbamate;iodide","","","","","","","","","","","","","","","","","","","","Pentamminecarbaminatocobalt(III)iodide","","C(=O)(N)[O-].N.N.N.N.N.[Co+3].[I-]","VWAXRUZWFXQYTB-UHFFFAOYSA-L","24202126",NA,"PDBC31476","630614","Present"
-"Azane;cobalt(3+);diazide;chloride","","","","","","","","","","","","","","","","","","","","trans-Tetramminediazidocobalt(III)chloride","","N.N.N.N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Cl-].[Co+3]","XILYTJYZEBZJSZ-UHFFFAOYSA-M","24202140",NA,"PDBC31477","630633","Present"
-"Azane;cobalt(3+);diazide;nitrate","","","","","","","","","","","","","","","","","","","","cis-Tetramminediazidocobalt(III)nitrate","","N.N.N.N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N+](=O)([O-])[O-].[Co+3]","MRWNEZGVQRPWJY-UHFFFAOYSA-N","24202156",NA,"PDBC31478","630658","Present"
-"Azane;cobalt(3+);nitrate;perchlorate","","","","","","","","","","","","","","","","","","","","Pentamminenitratocobalt(III)perchlorate","","N.N.N.N.N.[N+](=O)([O-])[O-].[O-]Cl(=O)(=O)=O.[Co+3]","KNTUIOXXRHFLNC-UHFFFAOYSA-M","24202124",NA,"PDBC31479","630610","Present"
-"Azane;cobalt(3+);octanoate;perchlorate","","","","","","","","","","","","","","","","","","","","Pentamminecaprylatocobalt(III)perchlorate///trans-Tetramminedicaprylatocobal(III)perchlorate","","CCCCCCCC(=O)[O-].N.N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","OODSDDMYHWYZRO-UHFFFAOYSA-L","24202134",NA,"PDBC31480","630623///630661","Present"
-"Azane;cobalt(3+);pentanoate;perchlorate","","","","","","","","","","","","","","","","","","","","Pentaamminevaleriatocobalt(III)perchlorate H2O","","CCCCC(=O)[O-].N.N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","JXCDOWMHYSOQTK-UHFFFAOYSA-L","24202129",NA,"PDBC31481","630618","Present"
-"Azane;cobalt(3+);propanoate;perchlorate","","","","","","","","","","","","","","","","","","","","trans-Tetramminedipropionatocobalt(III)perchlorate","","CCC(=O)[O-].CCC(=O)[O-].N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","NRTQLGHWGGWNPB-UHFFFAOYSA-K","24202158",NA,"PDBC31482","630660","Present"
-"Azane;cobalt(3+);tetranitrate","","","","","","","","","","","","","","","","","","","","Ammoniumdiamminetetranitratcobalte(III)","","N.N.N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Co+3]","UCKIEXCGPQIYJF-UHFFFAOYSA-N","24202177",NA,"PDBC31483","631461","Present"
-"Azane;cobalt(3+);triazide","","","","","","","","","","","","","","","","","","","","trans-Tetramminediazidocobalt(III)azide","","N.N.N.N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Co+3]","QJOGNAZJKYBTCJ-UHFFFAOYSA-N","24202162",NA,"PDBC31484","630664","Present"
-"Azane;dioxomolybdenum(2+);sulfanide","","","","","","","","","","","","","","","","","","","","Azane;dioxomolybdenum(2+);sulfanide","","N.O=[Mo+2]=O.[SH-].[SH-]","CTFDTBUAQTUTND-UHFFFAOYSA-L","371816",NA,"PDBC31485","646285","Present"
-"Azane;hexane-1,6-diamine;platinum(4+);propanedioate","","","","","","","","","","","","","","","","","","","","Azane;hexane-1,6-diamine;platinum(4+);propanedioate","","C(CCCN)CCN.C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].N.N.[Pt+4].[Pt+4]","JRJQSFZVKGKJTK-UHFFFAOYSA-J","24202350",NA,"PDBC31486","641457","Present"
-"Azane;nonane-1,9-diamine;platinum(4+);propanedioate","","","","","","","","","","","","","","","","","","","","Azane;nonane-1,9-diamine;platinum(4+);propanedioate","","C(CCCCN)CCCCN.C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].N.N.[Pt+4].[Pt+4]","KNTOIZFDHGNKOB-UHFFFAOYSA-J","24202358",NA,"PDBC31487","641466","Present"
-"Azane;pentane-1,5-diamine;platinum(4+);propanedioate","","","","","","","","","","","","","","","","","","","","NSC632793","","C(CCN)CCN.C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].N.N.[Pt+4].[Pt+4]","YATWOIARHZTAOY-UHFFFAOYSA-J","24202212",NA,"PDBC31488","632793","Present"
-"Azanide;3,4-dihydroxycyclobut-3-ene-1,2-dione;ruthenium(5+)","","","","","","","","","","","","","","","","","","","","Ruthenium(+), pentaammine[3,4-dihydroxy-3-cyclobutene-1,...","","C1(=C(C(=O)C1=O)O)O.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+5]","HGZYWHKCPBQERD-UHFFFAOYSA-N","434931",NA,"PDBC31489","360859","Present"
-"Azanide;3-phenylpyridine;ruthenium(3+);chloride;sulfate","","","","","","","","","","","","","","","","","","","","Azanide;3-phenylpyridine;ruthenium(3+);chloride;sulfate","","C1=CC=C(C=C1)C2=CN=CC=C2.[NH2-].[NH2-].[NH2-].[NH2-].[O-]S(=O)(=O)[O-].[Cl-].[Ru+3]","ZUKSVISTGSYHNI-UHFFFAOYSA-K","369889",NA,"PDBC31490","642084","Present"
-"Azanide;azanylidyneoxidanium;ruthenium(5+);sulfate","","","","","","","","","","","","","","","","","","","","Azanide;azanylidyneoxidanium;ruthenium(5+);sulfate","","[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].N#[O+].[O-]S(=O)(=O)[O-].[Ru+5]","VSVVVANUEPDTQH-UHFFFAOYSA-L","374958",NA,"PDBC31491","653617","Present"
-"Azanide;chlororuthenium","","","","","","","","","","","","","","","","","","","","ruthenium ammine chloride","","[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].Cl[Ru]","FVLISFOJPGNUJO-UHFFFAOYSA-M","425301",NA,"PDBC31492","172784","Present"
-"Azanide;cobalt;sulfurous acid","","","","","","","","","","","","","","","","","","","","NSC187613","","[NH2-].[NH2-].[NH2-].[NH2-].OS(=O)O.OS(=O)O.[Co]","WOEMKXADWJHCPI-UHFFFAOYSA-N","426356",NA,"PDBC31493","187613","Present"
-"Azanide;cyclobutylazanide;cyclohexane-1,2-dicarboxylic acid;platinum(2+)","","","","","","","","","","","","","","","","","","","","Azanide;cyclobutylazanide;cyclohexane-1,2-dicarboxylic acid;platinum(2+)","","C1CCC(C(C1)C(=O)O)C(=O)O.C1CC(C1)[NH-].[NH2-].[Pt+2]","PTXCRJJLRKUUFH-UHFFFAOYSA-N","434393",NA,"PDBC31494","349460","Present"
-"Azanide;dibromoplatinum(2+)","","","","","","","","","","","","","","","","","","","","platinum, diamminedibromo-, cis- (8ci)","","[NH2-].[NH2-].Br[Pt+2]Br","OTYKNRGMJLUPCT-UHFFFAOYSA-L","422107",NA,"PDBC31495","141523","Present"
-"Azanide;piperidin-1-ide-4-carboxylic acid;platinum(4+)","","","","","","","","","","","","","","","","","","","","NSC175423","","C1C[N-]CCC1C(=O)O.C1C[N-]CCC1C(=O)O.[NH2-].[NH2-].[Pt+4]","NCPXVOISGWQZTM-UHFFFAOYSA-N","54606971",NA,"PDBC31496","175423","Present"
-"Azanide;pyridine;ruthenium(3+);chloride;sulfate","","","","","","","","","","","","","","","","","","","","Azanide;pyridine;ruthenium(3+);chloride;sulfate","","C1=CC=NC=C1.[NH2-].[NH2-].[NH2-].[NH2-].[O-]S(=O)(=O)[O-].[Cl-].[Ru+3]","BAHXKXLXPKPIAC-UHFFFAOYSA-K","369888",NA,"PDBC31497","642083","Present"
-"Azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate","","","","","","","","","","","","","","","","","","","","Azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate","","[CH-]1[C-]=[C-][C-]=[C-]1.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.N#[O+].[Re]","AHRLFPAXXVUQQF-UHFFFAOYSA-N","6330777",NA,"PDBC31498","621333","Present"
-"Azaserine cyclic peptide, cis","","","","","","","","","","","","","","","","","","","","AZASERINE, CYCLIC PEPTIDE (TRANS)///AZASERINE, CYCLIC PEPTIDE (CIS)","","C(C1C(=O)NC(C(=O)N1)COC(=O)C=[N+]=[N-])OC(=O)C=[N+]=[N-]","FQOSBNGBQBYQIE-UHFFFAOYSA-N","3848642",NA,"PDBC31499","272688///272689","Present"
-"Azelastine hydrochloride","","","","","","","","","","","","","","","","","","","Azelastine HCl","","","CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Cl","YEJAJYAHJQIWNU-UHFFFAOYSA-N","54360",NA,"PDBC31500","","Absent"
-"Azepan-1-yl-(4,5-dihydro-oxazol-2-yl)-amine","","","","","","","","","","","","","","","","","","","","Azepan-1-yl-(4,5-dihydro-oxazol-2-yl)-amine","","C1CCCN(CC1)NC2=NCCO2","BVSANVACGHQFRV-UHFFFAOYSA-N","379452",NA,"PDBC31501","664002","Present"
-"Azido-ipapp","","","","","","","","","","","","","","","","","","","","Azido-ipapp","","C1CN(CCN1CCC2=CC(=C(C=C2)N=[N+]=[N-])I)C3=CC=CC(=C3)C(F)(F)F","DGGQFCKCVDYJDO-UHFFFAOYSA-N","363353",NA,"PDBC31502","628236","Present"
-"Azidoacetamide","","","","","","","","","","","","","","","","","","","","Azidoacetamide","","C(C(=O)N)N=[N+]=[N-]","WOEYOUBBHRYDLG-UHFFFAOYSA-N","3246223",NA,"PDBC31503","56315","Present"
-"Azidobenzene; 1H-indene; prop-1-en-2-ylbenzene","","","","","","","","","","","","","","","","","","","","Azidobenzene; 1H-indene; prop-1-en-2-ylbenzene","","CC(=C)C1=CC=CC=C1.C1C=CC2=CC=CC=C21.C1=CC=C(C=C1)N=[N+]=[N-]","RJJLJOMKVODHKT-UHFFFAOYSA-N","275479",NA,"PDBC31504","122351","Present"
-"Azidopine","","","","","","","","","","","","","","","","","","","","Azidopine","","CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCCNC(=O)C3=CC=C(C=C3)N=[N+]=[N-])C)C","SWMHKFTXBOJETC-UHFFFAOYSA-N","656406",NA,"PDBC31505","617999","Present"
-"Azimilide dihydrochloride;A-9054","","","","","","","","","","","","","","","","","","","","Azimilide dihydrochloride;A-9054","","","","",NA,"PDBC31506","786033","Present"
-"Aziridin-1-yl-[4-[[(E)-[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]methyl]-1-piperidyl]methanone","","","","","","","","","","","","","","","","","","","","1-Piperidinecarboxamide, N-(1,2-ethanediyl)-4-[[[10-(4-c...","","C1CN(CCC1CN=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl)C(=O)N7CC7","VCTVVYZBLQLKGT-UHFFFAOYSA-N","15957528",NA,"PDBC31507","742308","Present"
-"Aziridine, 1,1'-[tetramethyl-p-phenylenebis(methylenecarbonyl)]bis-","","","","","","","","","","","","","","","","","","","","Aziridine, 1,1'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(...","","CC1=C(C(=C(C(=C1CC(=O)N2CC2)C)C)CC(=O)N3CC3)C","AEWRLJFSKWRMTB-UHFFFAOYSA-N","241000",NA,"PDBC31508","48034","Present"
-"Azobenzene-4-sulfonic acid","","","","","","","","","","","","","","","","","","","","p-(Phenylazo)benzenesulfonic acid","","C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O","AJMNDPOSKIBVGX-UHFFFAOYSA-N","17210",NA,"PDBC31509","1847","Present"
-"Azobisisobutyramidinium dichloride","","","","","","","","","","","","","","","","","","","","azobisisobutyramidinium dichloride","","CC(C)(C(=N)N)N=NC(C)(C)C(=N)N.Cl","QMYCJCOPYOPWTI-UHFFFAOYSA-N","84924",NA,"PDBC31510","668416","Present"
-"Azomethine-H Monosodium Salt","","","","","","","","","","","","","","","","","","","","NSC88947","","C1=CC=C(C(=C1)C=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)O.[Na+]","VDMRMECRCLGIAD-UHFFFAOYSA-N","135534491",NA,"PDBC31511","88947","Present"
-"Azonafides","","","","","","","","","","","","","","","","","","","","Azonafides","","CN(CCN)CCN1C(=O)C2=CC=C(C3=CC4=CC=CC=C4C(=C23)C1=O)OC","BIODVRTUEIQALL-UHFFFAOYSA-N","59322874",NA,"PDBC31512","783604","Present"
-"Azoxydapsone","","","","","","","","","","","","","","","","","","","","Azoxydapsone {1,2-bis-[4-(4'-aminophenylsulfonylphenyl)]...","","C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N=[N+](C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N)[O-]","SMEWQWPADHSEIL-UHFFFAOYSA-N","380146",NA,"PDBC31513","665549","Present"
-"Aztec","","","","","","","","","","","","","","","","","","","","timazid","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]","HBOMLICNUCNMMY-UHFFFAOYSA-N","5726",NA,"PDBC31514","602670","Present"
-"Azulene; carbon monoxide; cyclopentane; iron; oxoniumylidynemethyliron; hexafluorophosphate","","","","","","","","","","","","","","","","","","","","Azulene; carbon monoxide; cyclopentane; iron; oxoniumylidynemethyliron; hexafluorophosphate","","","","",NA,"PDBC31515","649304","Present"
-"Azuleno[6,5-b]furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-","","","","","","","","","","","","","","","","","","","","Azuleno[6,5-b]furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hex...","","CC1CC2C(CC3=C(C(=O)CC13)C)C(=C)C(=O)O2","UQNONRHPSCIIJO-PYKVZLTGSA-N","375107",NA,"PDBC31516","654208","Present"
-"Azure B","","","","","","","","","","","","","","","","","","","","Azur I","","CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]","DNDJEIWCTMMZBX-UHFFFAOYSA-N","68275",NA,"PDBC31517","9598","Present"
-"Azure C","","","","","","","","","","","","","","","","","","","","Azure C (VAN)","","CN=C1C=CC2=[NH+]C3=C(C=C(C=C3)N)SC2=C1.[Cl-]","DDGMDTGNGDOUPX-UHFFFAOYSA-N","135421845",NA,"PDBC31518","16165","Present"
-"B, Pyrrolizine","","","","","","","","","","","","","","","","","","","","B, Pyrrolizine","","C1CCC(CC1)NC(=O)OCC2=C3CCCN3C(=C2COC(=O)NC4CCCCC4)C5=CC(=C(C=C5)Cl)Cl","XTAYNAQYUVGGEV-UHFFFAOYSA-N","320367",NA,"PDBC31519","267702","Present"
-"B-Homo-2-ethoxy-estradiol-3,17beta-diacetate-6-one","","","","","","","","","","","","","","","","","","","","B-homo-2-ethoxy-estradiol-3,17.beta.-diacetate-6-one","","CCOC1=C(C=C2C(=O)CCC3C(C2=C1)CCC4(C3CCC4OC(=O)C)C)OC(=O)C","POGDKUSBXXONQZ-QYCCZEHPSA-N","396891",NA,"PDBC31520","703990","Present"
-"B676297K152 3',4'-Deoxypsorospermin","","","","","","","","","","","","","","","","","","","","B676297K152 3',4'-Deoxypsorospermin","","CC(=C)C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O","KTBULHGICAOTLC-UHFFFAOYSA-N","354176",NA,"PDBC31521","605100","Present"
-"B676297K277 3',4'-Chlorohydrin","","","","","","","","","","","","","","","","","","","","B676297K277 3',4'-Deoxypsorospermin 3',4'-chlorohydrin","","CC(CCl)(C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O)O","QDSRUIDWGNCDAY-UHFFFAOYSA-N","354175",NA,"PDBC31522","605099","Present"
-"B704949F149","","","","","","","","","","","","","","","","","","","","B704949F149","","","","",NA,"PDBC31523","293856","Present"
-"BAD 092 antibody","","","","","","","","","","","","","","","","","","","","BAD 092 antibody","","","","",NA,"PDBC31524","740286","Present"
-"BAL-27862","","","","","","","","","","","","","","","","","","","","BAL-27862","","C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)N)C4=NON=C4NCCC#N","LSFOZQQVTWFMNS-UHFFFAOYSA-N","11176685",NA,"PDBC31525","762598","Present"
-"BAR 2A5","","","","","","","","","","","","","","","","","","","","BAR 2A5","","","","",NA,"PDBC31526","636200","Present"
-"BAR 3C2","","","","","","","","","","","","","","","","","","","","BAR 3C2","","","","",NA,"PDBC31527","636202","Present"
-"BAR 3G6","","","","","","","","","","","","","","","","","","","","BAR 3G6","","","","",NA,"PDBC31528","636201","Present"
-"BAR 5E1","","","","","","","","","","","","","","","","","","","","BAR 5E1","","","","",NA,"PDBC31529","636198","Present"
-"BAR 5F1","","","","","","","","","","","","","","","","","","","","BAR 5F1","","","","",NA,"PDBC31530","636199","Present"
-"BAS 00141207","","","","","","","","","","","","","","","","","","","","BAS 00141207","","C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NCCCCl)O","CWNVCCZYWYALHV-UHFFFAOYSA-N","54680433",NA,"PDBC31531","675811","Present"
-"BAS 00609206","","","","","","","","","","","","","","","","","","","","BAS 00609206","","C1=CC=C(C(=C1)C2=NC(=S)NN2)O","CCAJTTYNVNCKDV-UHFFFAOYSA-N","693307",NA,"PDBC31532","635836","Present"
-"BAS 00844476","","","","","","","","","","","","","","","","","","","","BAS 00844476","","CC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl","XJXVGGUMZPQFHT-UHFFFAOYSA-N","401582",NA,"PDBC31533","715277","Present"
-"BAS 01020111","","","","","","","","","","","","","","","","","","","","BAS 01020111","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(O3)C4=CC=CC=C4O","ZDXSHQBCHBUIIR-UHFFFAOYSA-N","399168",NA,"PDBC31534","709587","Present"
-"BAS 01081611","","","","","","","","","","","","","","","","","","","","BAS 01081611","","CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC=CC=C3","MRNMXGASLXONTP-UHFFFAOYSA-N","832521",NA,"PDBC31535","653936","Present"
-"BAS 01290790","","","","","","","","","","","","","","","","","","","","BAS 01290790","","C1=CC(=CC=C1OCC2=NNC(=S)O2)Cl","PDXDDOYYKNFNDC-UHFFFAOYSA-N","681971",NA,"PDBC31536","636111","Present"
-"BAS 02789523","","","","","","","","","","","","","","","","","","","","BAS 02789523","","CC(C)OCC1CC(C(=O)O1)CC(=O)NC2=NN=CS2","GSVAENGAIPQKQO-UHFFFAOYSA-N","392615",NA,"PDBC31537","693171","Present"
-"BAS 03033886","","","","","","","","","","","","","","","","","","","","BAS 03033886","","CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)OC","SMTXEVLYROUGMC-UHFFFAOYSA-N","362273",NA,"PDBC31538","625884","Present"
-"BAS 09618731","","","","","","","","","","","","","","","","","","","","BAS 09618731","","C1CC2=C(C(=O)C1)C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O","UFSFSBBYWNVREP-UHFFFAOYSA-N","1094892",NA,"PDBC31539","743410","Present"
-"BAS100 Monohydrate","","","","","","","","","","","","","","","","","","","","bas100 monohydrate","","CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC4C(OC5(O4)C=CC6=C(O5)C=C7C(=C6OCC=C(C)CCC(C(C)(C)O)O)CCO7)(C)C","KXJKHOFHTOECCZ-LVSXPEEVSA-N","45028404",NA,"PDBC31540","742554","Present"
-"BAVYCPDCCNBABH-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","BAVYCPDCCNBABH-UHFFFAOYSA-N","","CCC1C2(C(=N)OC(O1)(CC2(C#N)C#N)C)C#N","BAVYCPDCCNBABH-UHFFFAOYSA-N","387799",NA,"PDBC31541","681871","Present"
-"BAY-1000394","","","","","","","","","","","","","","","","","","","","BAY-1000394","","CC(C(C)OC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)S(=N)(=O)C3CC3)O","UELYDGOOJPRWGF-MFOHZAOFSA-N","45380979",NA,"PDBC31542","774911","Present"
-"BAY-1082439","","","","","","","","","","","","","","","","","","","","BAY-1082439","","CC1=C(C=CC=N1)C(=O)N=C2N=C3C(=C4N2CCN4)C=CC(=C3OC)OCC(CN5CCOCC5)O","QJTLLKKDFGPDPF-QGZVFWFLSA-N","135905473",NA,"PDBC31543","794590","Present"
-"BAY-1125976","","","","","","","","","","","","","","","","","","","","BAY-1125976","","C1CC(C1)(C2=CC=C(C=C2)C3=C(N4C(=N3)C=CC(=N4)C(=O)N)C5=CC=CC=C5)N","JBGYKRAZYDNCNV-UHFFFAOYSA-N","70817911",NA,"PDBC31544","793324","Present"
-"BAY-1217389","","","","","","","","","","","","","","","","","","","","BAY-1217389","","CC1=C(C=CC(=C1)C2=CN=C3N2N=C(C=C3NCCC(F)(F)F)OC4=C(C(=C(C=C4)OC)F)F)C(=O)NC5CC5","WNEILUNVMHVMPH-UHFFFAOYSA-N","78320750",NA,"PDBC31545","787026","Present"
-"BAY-1436032","","","","","","","","","","","","","","","","","","","","BAY-1436032","","CC1CC(CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)F","RNMAUIMMNAHKQR-QFBILLFUSA-N","118310260",NA,"PDBC31546","794487","Present"
-"BAY-1816032","","","","","","","","","","","","","","","","","","","","BAY-1816032","","COC1=CN=C(N=C1NC2=C(C=NC=C2)OC)C3=NN(C4=CC=CC=C43)CC5=C(C=C(C=C5F)OCCO)F","QVOGVAVHOLLLAZ-UHFFFAOYSA-N","118958833",NA,"PDBC31547","803409","Present"
-"BAY-2402234","","","","","","","","","","","","","","","","","","","","BAY-2402234","","CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)OC(C)C(F)(F)F)C(=O)NC3=C(C=CC=C3Cl)F)F)CO","KNVJMHHAXCPZHF-JTQLQIEISA-N","134470179",NA,"PDBC31548","809973","Present"
-"BAY-2416964","","","","","","","","","","","","","","","","","","","","BAY-2416964","","CC(CO)NC(=O)C1=CC(=NN(C1=O)C2=CN(N=C2)C)C3=CC=C(C=C3)Cl","YAGSZKAJPHGVOV-NSHDSACASA-N","135303769",NA,"PDBC31549","825713","Present"
-"BAY-293","","","","","","","","","","","","","","","","","","","","BAY-293","","CC1=NC2=CC(=C(C=C2C(=N1)NC(C)C3=CC(=CS3)C4=CC=CC=C4CNC)OC)OC","WEGLOYDTDILXDA-OAHLLOKOSA-N","137322663",NA,"PDBC31550","824723","Present"
-"BAY-876","","","","","","","","","","","","","","","","","","","","BAY-876","","CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C(F)(F)F)NC(=O)C3=CC(=NC4=C3C=CC(=C4)F)C(=O)N","BKLJDIJJOOQUFG-UHFFFAOYSA-N","118191391",NA,"PDBC31551","793149","Present"
-"BBG 066 antibody","","","","","","","","","","","","","","","","","","","","BBG 066 antibody","","","","",NA,"PDBC31552","740288","Present"
-"BC 76","","","","","","","","","","","","","","","","","","","","BC 76","","C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCCl","HCWAMVQMVMQQNI-UHFFFAOYSA-N","246230",NA,"PDBC31553","58905","Present"
-"BC 77","","","","","","","","","","","","","","","","","","","","BC 77","","C1=CC=C(C(=C1)CSC2=NC=NC3=C2N=CN3CCCl)Cl","JIVHOWFJTJBYTK-UHFFFAOYSA-N","246231",NA,"PDBC31554","58906","Present"
-"BCDLEKMDBUUAFT-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","BCDLEKMDBUUAFT-UHFFFAOYSA-N","","C1CC2=C(C1)NC3=NC=CN3C2=O","BCDLEKMDBUUAFT-UHFFFAOYSA-N","377282",NA,"PDBC31555","658535","Present"
-"BCH-189","","","","","","","","","","","","","","","","","","","","BCH-189","","C1C(OC(S1)CO)N2C=CC(=NC2=O)N","JTEGQNOMFQHVDC-UHFFFAOYSA-N","3877",NA,"PDBC31556","620753","Present"
-"BCL-201 diHCl","","","","","","","","","","","","","","","","","","","","BCL-201 diHCl","","C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6CC5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1","VYXJULKGMXJVGI-XIFFEERXSA-N","71654876",NA,"PDBC31557","820918","Present"
-"BCP11234","","","","","","","","","","","","","","","","","","","","BCP11234","","CC1=CC(=C(N1NC(=O)OC(C)(C)C)C)C(=O)OC","IYKUSRPMMWSDJM-UHFFFAOYSA-N","371431",NA,"PDBC31558","645651","Present"
-"BCP31197","","","","","","","","","","","","","","","","","","","","BCP31197","","CN1C2=CC=CC=C2C(=O)NC3=CN=C(N=C31)Cl","DJWRRNUDJBTKNW-UHFFFAOYSA-N","334338",NA,"PDBC31559","339168","Present"
-"BDTX-189","","","","","","","","","","","","","","","","","","","","BDTX-189","","C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)OCCN5CCOCC5","HIBPKFXWOPYJPZ-UHFFFAOYSA-N","154824631",NA,"PDBC31560","828939","Present"
-"BENZYLAMINE, alpha,alpha-DIMETHYL-N-(2-OXAZOLINYL)-","","","","","","","","","","","","","","","","","","","","LS-43348","","CC(C)(C1=CC=CC=C1)NC2=NCCO2","KEHKOXVLHWSTAX-UHFFFAOYSA-N","57855",NA,"PDBC31561","664299","Present"
-"BFE 055 antibody","","","","","","","","","","","","","","","","","","","","BFE 055 antibody","","","","",NA,"PDBC31562","740287","Present"
-"BFSPTGLBIIGTKJ-TYPNBTCFSA-N","","","","","","","","","","","","","","","","","","","","BFSPTGLBIIGTKJ-TYPNBTCFSA-N","","COC(=O)C1=CC2CC(C2)C=C(C(=O)O1)C3=CC=CC=C3","BFSPTGLBIIGTKJ-TYPNBTCFSA-N","5371714",NA,"PDBC31563","625762","Present"
-"BHS102899","","","","","","","","","","","","","","","","","","","","BHS102899","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C(=O)NC(=O)N2","WDTFEPLBHHPIPD-UHFFFAOYSA-N","386882",NA,"PDBC31564","679740","Present"
-"BHT103177","","","","","","","","","","","","","","","","","","","","BHT103177","","CC1=CC=C(C=C1)C=C2C(=O)NC(=S)N2","LVZWRKRBUQBXCG-TWGQIWQCSA-N","5469194",NA,"PDBC31565","684328","Present"
-"BI-3406","","","","","","","","","","","","","","","","","","","","BI-3406","","CC1=NC2=CC(=C(C=C2C(=N1)NC(C)C3=CC(=CC(=C3)N)C(F)(F)F)OC4CCOC4)OC","XVFDNRYZXDHTHT-PXAZEXFGSA-N","138911318",NA,"PDBC31566","825286","Present"
-"BI-847325","","","","","","","","","","","","","","","","","","","","BI-847325","","CCNC(=O)C#CC1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=C(C=C3)CN(C)C)C4=CC=CC=C4","OCUQMWSIGPQEMX-UHFFFAOYSA-N","135567102",NA,"PDBC31567","799360","Present"
-"BIM-0016346.P001","","","","","","","","","","","","","","","","","","","","BIM-0016346.P001","","CN(C)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]","JLBPOYFNHCRMOX-WJDWOHSUSA-N","746808",NA,"PDBC31568","201902","Present"
-"BIM-0016811.P001","","","","","","","","","","","","","","","","","","","","BIM-0016811.P001","","C=CCN1C(=O)C(=CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)NC1=O","DWWYFXMUJBQCET-UYRXBGFRSA-N","1550063",NA,"PDBC31569","622707","Present"
-"BIM-0020074.P001","","","","","","","","","","","","","","","","","","","","BIM-0020074.P001","","CC(=CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])N=C1C=C(C)O)O","DZAMEWGLOXJUAB-VVRUXRSYSA-N","135501475",NA,"PDBC31570","707057","Present"
-"BIM-0022645.P001","","","","","","","","","","","","","","","","","","","","BIM-0022645.P001","","C1=CC=C2C(=C1)N=C(S2)NN=CC3=C(C=C(C=C3)O)O","LOJVMPWEUHXTBY-OVCLIPMQSA-N","135504341",NA,"PDBC31571","45089","Present"
-"BIM-0028538.P001","","","","","","","","","","","","","","","","","","","","BIM-0028538.P001","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=O)C3=CC=CC=C23","YSKDJLPOIHGCTK-LVZFUZTISA-N","9568239",NA,"PDBC31572","72144","Present"
-"BIM-46187","","","","","","","","","","","","","","","","","","","","BIM-46187","","C1CCC(CC1)CC2C3=NC(=CN3CCN2C(=O)C(CSSCC(C(=O)N4CCN5C=C(N=C5C4CC6CCCCC6)C7=CC=CC=C7)N)N)C8=CC=CC=C8","GGDNOAWICIHSAW-KEAHXZLPSA-N","11593027",NA,"PDBC31573","760842","Present"
-"BLU-9931","","","","","","","","","","","","","","","","","","","","BLU-9931","","CC1=C(C(=CC=C1)NC(=O)C=C)NC2=NC=C3C=C(C=CC3=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl","TXEBNKKOLVBTFK-UHFFFAOYSA-N","72710839",NA,"PDBC31574","785300","Present"
-"BLZ-945","","","","","","","","","","","","","","","","","","","","BLZ-945","","CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC4CCCCC4O","ADZBMFGQQWPHMJ-RHSMWYFYSA-N","46184986",NA,"PDBC31575","758006","Present"
-"BMS-536924","","","","","","","","","","","","","","","","","","","","BMS-536924","","CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NCC(C4=CC(=CC=C4)Cl)O)N5CCOCC5","ZWVZORIKUNOTCS-OAQYLSRUSA-N","135440466",NA,"PDBC31576","761760","Present"
-"BMS-777607","","","","","","","","","","","","","","","","","","","","BMS-777607","","CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F","VNBRGSXVFBYQNN-UHFFFAOYSA-N","24794418",NA,"PDBC31577","764090","Present"
-"BMS-833923","","","","","","","","","","","","","","","","","","","","BMS-833923","","CC1=C(C=C(C=C1)CNC)NC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5","KLRRGBHZCJLIEL-UHFFFAOYSA-N","57662985",NA,"PDBC31578","781469","Present"
-"BMS-863233","","","","","","","","","","","","","","","","","","","","BMS-863233","","C1CC(NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl","JJWLXRKVUJDJKG-UHFFFAOYSA-N","136662663",NA,"PDBC31579","775771","Present"
-"BMS-986158","","","","","","","","","","","","","","","","","","","","BMS-986158","","CC1=C(N(N=N1)C)C2=CC3=C(C4=C(N3C(C5CCOCC5)C6=CC=CC=C6)C=C(C=C4)C(C)(C)O)N=C2","KGERZPVQIRYWRK-GDLZYMKVSA-N","118196485",NA,"PDBC31580","801230","Present"
-"BOC-varacin","","","","","","","","","","","","","","","","","","","","BOC-varacin","","CC(C)(C)OC(=O)NCCC1=CC(=C(C2=C1SSSSS2)OC)OC","XGYYMFDGMRHWOP-UHFFFAOYSA-N","11144669",NA,"PDBC31581","722778","Present"
-"BOHLMANN K4211","","","","","","","","","","","","","","","","","","","","BOHLMANN K4211","","CC#CC#CC(=CC=CC(=O)OC)SC","WADRMWXNCVHUHQ-HDEMWOFXSA-N","54601613",NA,"PDBC31582","302305","Present"
-"BOS-172722","","","","","","","","","","","","","","","","","","","","BOS-172722","","CCOC1=C(C=CC(=C1)C2=NN=CN2C)NC3=NC=C4C=C(N=C(C4=N3)NCC(C)(C)C)C","SGWLRDAOCLITOM-UHFFFAOYSA-N","73386890",NA,"PDBC31583","809694","Present"
-"BP-1-102","","","","","","","","","","","","","","","","","","","","BP-1-102","","CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F","WNVSFFVDMUSXSX-UHFFFAOYSA-N","53388144",NA,"PDBC31584","764037","Present"
-"BPR1J-097","","","","","","","","","","","","","","","","","","","","BPR1J-097","","CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=CC=C5","RRKKHABFIOHAOI-UHFFFAOYSA-N","56673651",NA,"PDBC31585","767897","Present"
-"BRCZBTFRPMEDIG-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","BRCZBTFRPMEDIG-UHFFFAOYSA-N","","CC1(CC(CC(C1)(C2(CC(CC(C2)(C)C)(C)C)O)O)(C)C)C","BRCZBTFRPMEDIG-UHFFFAOYSA-N","373778",NA,"PDBC31586","650742","Present"
-"BRD-A17388120-001-07-7","","","","","","","","","","","","","","","","","","","","BRD-A17388120-001-07-7","","C1=CC=C2C(=C1)C=CC3=C2C=CC4(O3)NC(=O)C5=CC=CC=C5O4","XGNIWAINDZATCD-UHFFFAOYSA-N","376106",NA,"PDBC31587","656591","Present"
-"BRD-A75273200-001-06-5","","","","","","","","","","","","","","","","","","","","BRD-A75273200-001-06-5","","COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4","HNPAUHGGUIWVHL-UHFFFAOYSA-N","382066",NA,"PDBC31588","669380","Present"
-"BRD-K01417665-001-03-0","","","","","","","","","","","","","","","","","","","","BRD-K01417665-001-03-0","","CC1(C(=C)SC(=NC2=CC=CC=C2Cl)N1C(=O)C3=C(C4=CC=CC=C4S3)Cl)C","UWGWRVLVWZBCQF-UHFFFAOYSA-N","329163",NA,"PDBC31589","310324","Present"
-"BRD-K03257426-001-02-0","","","","","","","","","","","","","","","","","","","","BRD-K03257426-001-02-0","","CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CC3=CC=CC=C3","SQTUQXUMHBSGJJ-UHFFFAOYSA-N","376414",NA,"PDBC31590","657328","Present"
-"BRD-K05707185-001-01-5","","","","","","","","","","","","","","","","","","","","BRD-K05707185-001-01-5","","CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC34CC5CC(C3)CC(C5)C4)O","QLDNBIVVQAXUGG-UHFFFAOYSA-N","54678845",NA,"PDBC31591","654970","Present"
-"BRD-K52705024-001-02-4","","","","","","","","","","","","","","","","","","","","BRD-K52705024-001-02-4","","CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5=CC(=CC=C5)OC)C#N","UCOZRAYLUQUWFK-UHFFFAOYSA-N","380606",NA,"PDBC31592","666281","Present"
-"BRD-K68192143-001-01-5","","","","","","","","","","","","","","","","","","","","BRD-K68192143-001-01-5","","C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C(=O)CF)O","YMRIBQFQMYWELA-VOTSOKGWSA-N","5976008",NA,"PDBC31593","112965","Present"
-"BRD-K72253399-001-01-0","","","","","","","","","","","","","","","","","","","","BRD-K72253399-001-01-0","","CCC1=CC=C(C=C1)C(=CC=CC2=CC=CC=C2)C#N","RRVXLROTKAZPSF-AVSIYSEJSA-N","5716877",NA,"PDBC31594","202003","Present"
-"BRD-K93193246-001-01-8","","","","","","","","","","","","","","","","","","","","BRD-K93193246-001-01-8","","CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=NC=NC=C3","RVJBBAQRNVSEOO-WOJGMQOQSA-N","5834397",NA,"PDBC31595","689846","Present"
-"BRD-K95032747-001-02-8","","","","","","","","","","","","","","","","","","","","BRD-K95032747-001-02-8","","C1COCCN1C(=C2CC3=CC=CC=C3C2=O)C4=CC=CC=C4","YRFZUSRRVUUYIW-HNENSFHCSA-N","6509476",NA,"PDBC31596","150098","Present"
-"BRD-K96548276-001-01-3","","","","","","","","","","","","","","","","","","","","BRD-K96548276-001-01-3","","CC(=NNC(=S)N1CCCC1)C2=CC=CC=N2","KJWUMRFUJFIVGM-GXDHUFHOSA-N","5484394",NA,"PDBC31597","318805","Present"
-"BREFLATE","","","","","","","","","","","","","","","","","","","","BREFLATE","","CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)OC(=O)CN(C)C","ZZWKZQDOSJAGGF-VRSYWUPDSA-N","5459236",NA,"PDBC31598","656202","Present"
-"BRUSATOL","","","","","","","","","","","","","","","","","","","","BRUSATOL","","CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O","ZZZYHIMVKOHVIH-UHFFFAOYSA-N","299645",NA,"PDBC31599","172924","Present"
-"BTSHWGAQAYYNFK-RELWKKBWSA-N","","","","","","","","","","","","","","","","","","","","BTSHWGAQAYYNFK-RELWKKBWSA-N","","CC(=NNC(=S)N1CCCCCCCCCCCC1)C2=CC=CC=N2","BTSHWGAQAYYNFK-RELWKKBWSA-N","9554758",NA,"PDBC31600","293074","Present"
-"BYSSOCHLAMIC ACID","","","","","","","","","","","","","","","","","","","","BYSSOCHLAMIC ACID","","CCCC1C2C(C(CC3=C2C(=O)OC3=O)CC)C4=C1C(=O)OC4=O","ISPXPOYARSGEDK-UHFFFAOYSA-N","291683",NA,"PDBC31601","157036","Present"
-"BZHBNLOEUZEUOA-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","BZHBNLOEUZEUOA-UHFFFAOYSA-N","","CC1=CC2=C(C=C1N)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O","BZHBNLOEUZEUOA-UHFFFAOYSA-N","360664",NA,"PDBC31602","622982","Present"
-"BZUVLAULGXOKJL-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","BZUVLAULGXOKJL-UHFFFAOYSA-N","","CC(C)(C)C=C=C(C(C)(C)C)P(=O)(O)O","BZUVLAULGXOKJL-UHFFFAOYSA-N","380888",NA,"PDBC31603","666672","Present"
-"Baccatin VI, 1-dehydroxy-","","","","","","","","","","","","","","","","","","","","Baccatin VI, 1-dehydroxy-","","CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","JHPBZGSKESVROC-LZYDVKNDSA-N","368288",NA,"PDBC31604","638793","Present"
-"Baccatin cento","","","","","","","","","","","","","","","","","","","","Baccatin III","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C","OVMSOCFBDVBLFW-JQULDETKSA-N","332624",NA,"PDBC31605","330753","Present"
-"Baccharin","","","","","","","","","","","","","","","","","","","","Baccharin","","CC(C1C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O","DGBITFNXKQHKLI-LCTKYAGXSA-N","5358645",NA,"PDBC31606","269757","Present"
-"Baccharinoid A-1 (busam)","","","","","","","","","","","","","","","","","","","","BACCHARINOID A-1 (BUSAM)","","CC1=CC2C3(CC1)COC(=O)CC(C(COC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)O)(C)OC(=O)C","XGOQVDSNQJJHTN-CDJQDVQCSA-N","5478016",NA,"PDBC31607","375726","Present"
-"Baccharinoid B4","","","","","","","","","","","","","","","","","","","","Baccharinoid B4","","CC1=CC2C3(CC1O)COC(=O)C4C(O4)(C(COC(CCCCC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)O)C","GUBFKNDROVCUHE-JXDHWSHHSA-N","6711263",NA,"PDBC31608","604976","Present"
-"Baccharinol","","","","","","","","","","","","","","","","","","","","Baccharinol","","CC1=CC2C3(CC1O)COC(=O)C4C(O4)(C(COC(C=CC=CC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)O)C","ZGOCMMMDEQOCDU-APBVVRNWSA-N","21678373",NA,"PDBC31609","269756","Present"
-"Baccharis principle B-2 (B800157F248 and K381)","","","","","","","","","","","","","","","","","","","","NSC269754","","CC1CC(=O)OCC23CC(C(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1O)C(C)O)C)O","PYYBXMVTBWYBDY-KQQUZDAGSA-N","5476867",NA,"PDBC31610","269754","Present"
-"Bacteriocin 28b","","","","","","","","","","","","","","","","","","","","Bacteriocin 28b","","CC1=CC2=C(C=C1C)NC3=C2C(=O)NC(=O)N3","QWCZOKHSGQMPFY-UHFFFAOYSA-N","387237",NA,"PDBC31611","680812","Present"
-"Bactobolin","","","","","","","","","","","","","","","","","","","","BACTOBOLIN","","CC(C(=O)NC1C2C(C(CC(=C2C(=O)OC1(C)C(Cl)Cl)O)O)O)N","RBCHRRIVFAIGFI-RGBMRXMBSA-N","54676871",NA,"PDBC31612","325014","Present"
-"Bafilomycin deriv.","","","","","","","","","","","","","","","","","","","","bafilomycin deriv","","CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)O)O)O)OC)C","XDHNQDDQEHDUTM-YJSQNSDISA-N","5385089",NA,"PDBC31613","381866","Present"
-"Baileyolin","","","","","","","","","","","","","","","","","","","","Fastigilin A","","CC=C(C)C(=O)OC1C2C(C(=O)OC2C(C(C3C1(C(=O)C=C3)C)C)O)C","NOASRRBRAULRFQ-RMKNXTFCSA-N","5458512",NA,"PDBC31614","267239","Present"
-"Baker's Antifol","","","","","","","","","","","","","","","","","","","","Baker's Antifol","","CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F","OGONXIUGGALDIV-UHFFFAOYSA-N","64840",NA,"PDBC31615","113423","Present"
-"Bakuchiol","","","","","","","","","","","","","","","","","","","","(+)-Bakuchiol","","CC(=CCCC(C)(C=C)C=CC1=CC=C(C=C1)O)C","LFYJSSARVMHQJB-QIXNEVBVSA-N","5468522",NA,"PDBC31616","671195","Present"
-"Balsalazide Disodium","","","","","","","","","","","","","","","","","","","Balsalazide Sodium","","","C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N=NC2=CC(=C(C=C2)[O-])C(=O)O.[Na+].[Na+]","CKMOQBVBEGCJGW-UHFFFAOYSA-L","135413496",NA,"PDBC31617","","Absent"
-"Bam XI","","","","","","","","","","","","","","","","","","","","BAM XI","","CC1C(=O)OC2C1(C(C3C(C(CC(C3(C)O)OC(=O)C)OC(=O)C)(C(C4C(O4)C(=C2)CO)OC(=O)C)C)OC(=O)C)O","ZFUCRMMHJPZPEN-NSGKAAPTSA-N","5470287",NA,"PDBC31618","699120","Present"
-"Bam xii","","","","","","","","","","","","","","","","","","","","BAM XII","","CC1C(=O)OC2C1(C(C3C(C(CC(C3(C)O)OC(=O)C)OC(=O)C)(C(C4C(O4)C(=C2)CCl)OC(=O)C)C)OC(=O)C)O","MGVVOEHITFHXLV-NSGKAAPTSA-N","5470286",NA,"PDBC31619","699119","Present"
-"Barbituric acid, 5-[3-(4-methoxyphenyl)-2-propenylidene]-2-thio-","","","","","","","","","","","","","","","","","","","","4,6(1H,5H)-Pyrimidinedione, dihydro-5-[3-(4-methoxypheny...","","COC1=CC=C(C=C1)C=CC=C2C(=O)NC(=S)NC2=O","ICKKPRWZHMGDPZ-NSCUHMNNSA-N","5874667",NA,"PDBC31620","684569","Present"
-"Bare prodigiosine","","","","","","","","","","","","","","","","","","","","bare prodigiosine","","COC1=CC(=NC1=CC2=CC=CN2)C3=CC=CN3.Cl","LEHXOMYYLQSSKD-MGAWDJABSA-N","135829284",NA,"PDBC31621","742419","Present"
-"Barium(2+);6-hydroxy-5-phenyldiazenylnaphthalene-2-sulfonic acid","","","","","","","","","","","","","","","","","","","","Barium(2+);6-hydroxy-5-phenyldiazenylnaphthalene-2-sulfonic acid","","C1=CC=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O.[Ba+2]","RZPZRKQZRIARLE-UHFFFAOYSA-N","135534340",NA,"PDBC31622","75953","Present"
-"Barthrin","","","","","","","","","","","","","","","","","","","","barthrin","","CC(=CC1C(C1(C)C)C(=O)OCC2=CC3=C(C=C2Cl)OCO3)C","KPMWGGRSOPMANK-UHFFFAOYSA-N","6266",NA,"PDBC31623","14343","Present"
-"Bartramia-triluteolin","","","","","","","","","","","","","","","","","","","","Bartramia-triluteolin","","C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4O)O)C5=CC(=O)C6=C(O5)C(=C(C=C6O)O)C7=C(C=CC(=C7O)O)C8=CC(=O)C9=C(C=C(C=C9O8)O)O)O)O","ZEFMSWXBNQLXHU-UHFFFAOYSA-N","16129918",NA,"PDBC31624","683132","Present"
-"Bartramiaflavona","","","","","","","","","","","","","","","","","","","","Bartramiaflavona","","C1C(=O)C2=C(C3=C(C=C(C4=C3OC(=CC4=O)C5=C(C6=C(C(=C(C=C6O)O)C1=O)O)C(=C(C=C5)O)O)O)O)C(=C(C=C2)O)O.C1C(=O)C2=C(C=C(C3=C2OC1(C4=C(C5=C(C=C(C6=C5OC(=CC6=O)C7=C3C(=C(C=C7)O)O)O)O)C(=C(C=C4)O)O)O)O)O","GSYLHFHWONAQOL-UHFFFAOYSA-N","11980931",NA,"PDBC31625","683136","Present"
-"Basic blue 6","","","","","","","","","","","","","","","","","","","","naphthol blue (van)","","C[N+](=C1C=CC2=NC3=C(C=CC4=CC=CC=C43)OC2=C1)C.[Cl-]","HWYNRVXFYFQSID-UHFFFAOYSA-M","101929",NA,"PDBC31626","9291","Present"
-"Basic red 2","","","","","","","","","","","","","","","","","","","","safranin","","CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N)C4=CC=CC=C4.[Cl-]","OARRHUQTFTUEOS-UHFFFAOYSA-N","2723800",NA,"PDBC31627","47719","Present"
-"Basic red 6","","","","","","","","","","","","","","","","","","","","sudan red","","C1=CC=C2C(=C1)C=CC=C2[N+]3=C4C=C(C5=CC=CC=C5C4=NC6=C3C=CC7=CC=CC=C76)N.C1=CC=C2C(=C1)C=CC=C2[N+]3=C4C=C(C5=CC=CC=C5C4=NC6=C3C=C(C7=CC=CC=C76)N)N.[Cl-].[Cl-]","ZMVQHBODRYMWDG-UHFFFAOYSA-N","11980862",NA,"PDBC31628","11241","Present"
-"Basic violet 14","","","","","","","","","","","","","","","","","","","","NSC10466///NSC93739","","CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl","AXDJCCTWPBKUKL-UHFFFAOYSA-N","12447",NA,"PDBC31629","10466///93739","Present"
-"Basic violet 2","","","","","","","","","","","","","","","","","","","","new fuchsin","","CC1=CC(=C(C2=CC(=C(C=C2)N)C)C3=CC(=C(C=C3)N)C)C=CC1=N.Cl","IPSIPYMEZZPCPY-UHFFFAOYSA-N","14454445",NA,"PDBC31630","9858","Present"
-"Bassic acid","","","","","","","","","","","","","","","","","","","","Bassic acid","","CC1(CCC2(CCC3(C(=CCC4C3(CC=C5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C","FJGGNIPUSLFYJJ-QJTVMKANSA-N","160465",NA,"PDBC31631","696121","Present"
-"Batracylin, N-Acetyl-","","","","","","","","","","","","","","","","","","","","Batracylin, N-Acetyl-","","CC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2","GIYORETUPYJWBA-UHFFFAOYSA-N","356023",NA,"PDBC31632","611001","Present"
-"Batyl alcohol","","","","","","","","","","","","","","","","","","","","batilol","","CCCCCCCCCCCCCCCCCCOCC(CO)O","OGBUMNBNEWYMNJ-UHFFFAOYSA-N","3681",NA,"PDBC31633","284200","Present"
-"Batyl-P-araC","","","","","","","","","","","","","","","","","","","","Batyl-P-araC","","CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O.N","DWFITYHRYZGUQJ-UHFFFAOYSA-N","383215",NA,"PDBC31634","671331","Present"
-"Bazzanin Q","","","","","","","","","","","","","","","","","","","","Bazzanin Q","","C1CC2=C(C(=C(C=C2C3=CC(=C(C=CC4=CC(=C(C(=C4)Cl)O)C5=C(C(=CC1=C5)Cl)O)C(=C3O)Cl)Cl)Cl)O)Cl","MDOMQLVGLJBUIB-RQOWECAXSA-N","5470645",NA,"PDBC31635","703871","Present"
-"Beacon Red","","","","","","","","","","","","","","","","","","","","NSC12455///NSC47705","","C1=CC=C(C(=C1)C(=O)O)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","QUWBMHATQKBBOD-UHFFFAOYSA-N","135421797",NA,"PDBC31636","12455///47705","Present"
-"Becanthone hydrochloride","","","","","","","","","","","","","","","","","","","","Becanthone Hydrochloride","","CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CC(C)(C)O.Cl","FQGZKQSSKVAZPH-UHFFFAOYSA-N","20055418",NA,"PDBC31637","15796","Present"
-"Behenoyl-arabinofuranosyl-cytosine","","","","","","","","","","","","","","","","","","","","bhac","","CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","SAMRUMKYXPVKPA-UHFFFAOYSA-N","3228",NA,"PDBC31638","239336","Present"
-"Belvarafenib","","","","","","","","","","","","","","","","","","","","Belvarafenib","","CC1=CC2=C(C=C1)C(=NC=C2NC(=O)C3=CSC4=C3N=CN=C4N)NC5=C(C(=CC=C5)Cl)F","SCJBTFONVDQFCO-UHFFFAOYSA-N","155813674",NA,"PDBC31639","817040","Present"
-"Benfluron N-oxide","","","","","","","","","","","","","","","","","","","","Benfluron, N-oxide-","","C[N+](C)(CCOC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O)[O-]","WCZAXBXVDLKQGV-UHFFFAOYSA-N","124631",NA,"PDBC31640","625257","Present"
-"Benflurone","","","","","","","","","","","","","","","","","","","","Benfluron","","CN(C)CCOC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O","IALAUUKEGMAATC-UHFFFAOYSA-N","54569",NA,"PDBC31641","625255","Present"
-"Bengamide A","","","","","","","","","","","","","","","","","","","","Bengamide A","","CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)NC1)NC(=O)C(C(C(C(C=CC(C)C)O)O)O)OC","NKASPYGDXVCCTA-NRLSUAAVSA-N","5386504",NA,"PDBC31642","613012","Present"
-"Bengamide B","","","","","","","","","","","","","","","","","","","","Bengamide B","","CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)N(C1)C)NC(=O)C(C(C(C(C=CC(C)C)O)O)O)OC","PFRKTXMXGDERHT-BFTYWVKESA-N","11969976",NA,"PDBC31643","646846","Present"
-"Bengamide G","","","","","","","","","","","","","","","","","","","","Bengamide G","","CCCCCCCCCCCCCC(=O)OC(C=CC(C)C)C(C(C(C(=O)NC1CCCCNC1=O)OC)O)O","ZVRFWGNDDYSRLF-QZQOTICOSA-N","5467019",NA,"PDBC31644","646847","Present"
-"Bengamide H","","","","","","","","","","","","","","","","","","","","Bengamide H","","CCCCCCCCCCCCCC(=O)OC(C=CC(C)C)C(C(C(C(=O)NC1CCCCN(C1=O)C)OC)O)O","BIXCWCVYGIQELL-QURGRASLSA-N","5467020",NA,"PDBC31645","646848","Present"
-"Bengazole A","","","","","","","","","","","","","","","","","","","","Bengazole A","","CCCCCCCCCCCCC(=O)OC(C1=CN=CO1)C2=NC(=CO2)C(CC(C(C(C)O)O)O)O","YOIVNBDPUVQHEX-UHFFFAOYSA-N","374628",NA,"PDBC31646","652603","Present"
-"Benz(a)anthracene-1,4-dione, 7,12-dimethyl-","","","","","","","","","","","","","","","","","","","","Benz[a]anthracene-1,4-dione, 1,4-dihydro-7,12-dimethyl-","","CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C(=O)C=CC3=O","KMZNJHZZPXJOPL-UHFFFAOYSA-N","362096",NA,"PDBC31647","625625","Present"
-"Benz(j)aceanthrylene, 1,2-dihydro-3,11-dimethyl-","","","","","","","","","","","","","","","","","","","","Benz(j)aceanthrylene, 1,2-dihydro-3,11-dimethyl-","","CC1=C2CCC3=C2C(=CC4=C3C=C(C5=CC=CC=C54)C)C=C1","RYRMILUZWQRIKX-UHFFFAOYSA-N","95726",NA,"PDBC31648","31002","Present"
-"Benz[a]indolo[3,2-h]quinolizine","","","","","","","","","","","","","","","","","","","","3,13-Diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene","","C1=CC=C2C(=C1)C=CN3C2=C4C(=C5C=CC=CC5=N4)C=C3","ARFIULSVDJRUHR-UHFFFAOYSA-N","386225",NA,"PDBC31649","677941","Present"
-"Benz[b]acridine-6, 12,12'-(3,5-pyridinediyl)bis-","","","","","","","","","","","","","","","","","","","","Benz[b]acridine-6,11-dione, 12,12'-(3,5-pyridinediyl)bis-","","C1=CC=C2C(=C1)C(=O)C3=C(C4=CC=CC=C4N=C3C2=O)C5=CC(=CN=C5)C6=C7C(=NC8=CC=CC=C86)C(=O)C9=CC=CC=C9C7=O","QJFMOZBWBXNDRT-UHFFFAOYSA-N","393104",NA,"PDBC31650","694490","Present"
-"Benz[d]isoxazole, 4-benzyloxy-3-methyl-","","","","","","","","","","","","","","","","","","","","SVTSHSWFOVTABN-UHFFFAOYSA-N","","CC1=NOC2=C1C(=CC=C2)OCC3=CC=CC=C3","SVTSHSWFOVTABN-UHFFFAOYSA-N","365035",NA,"PDBC31651","631970","Present"
-"Benz[h]isoquinolin-6-amine","","","","","","","","","","","","","","","","","","","","Benz[h]isoquinolin-6-amine","","C1=CC=C2C(=C1)C(=CC3=C2C=NC=C3)N","HQHADPUCJMHALM-UHFFFAOYSA-N","289159",NA,"PDBC31652","150821","Present"
-"Benz[h]isoquinoline,9-dimethoxy-, hydrochloride","","","","","","","","","","","","","","","","","","","","Benz[h]isoquinoline, 8,9-dimethoxy-, hydrochloride","","COC1=C(C=C2C(=C1)C=CC3=C2C=NC=C3)OC.Cl","OKLDMYFZHCKSFI-UHFFFAOYSA-N","21144546",NA,"PDBC31653","166738","Present"
-"Benzaldehyde, (4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochloride","","","","","","","","","","","","","","","","","","","","o-Tolualdehyde, 4-[bis(2-chloroethyl)amino]-5-ethoxy-, (...","","CCOC1=C(C=C(C(=C1)C=NNC2=NN=C(N2N)C)C)N(CCCl)CCCl.Cl","BMWOCJHMIDZTNJ-KELDOBJCSA-N","54601300",NA,"PDBC31654","103073","Present"
-"Benzaldehyde, (8-nitro-2-quinolinyl)hydrazone","","","","","","","","","","","","","","","","","","","","NSC168470","","C1=CC=C(C(=C1)C=NNC2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2)O","CRPZTTWVPREEJX-LICLKQGHSA-N","135443557",NA,"PDBC31655","168470","Present"
-"Benzaldehyde, 2-amino-4,5-bis(phenylmethoxy)-","","","","","","","","","","","","","","","","","","","","Benzaldehyde, 2-amino-4,5-bis(phenylmethoxy)-","","C1=CC=C(C=C1)COC2=C(C=C(C(=C2)C=O)N)OCC3=CC=CC=C3","KYFFEDBBVGGFNA-UHFFFAOYSA-N","383866",NA,"PDBC31656","672647","Present"
-"Benzaldehyde, 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]-","","","","","","","","","","","","","","","","","","","","Benzaldehyde, 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]-","","CC1(OCCS1)C2=CC3=C(C=C2C4=C(C(=C(C=C4C=O)OC)OC)OC)OCO3","FUPMCOHFJPKVFD-UHFFFAOYSA-N","372673",NA,"PDBC31657","648206","Present"
-"Benzaldehyde, 3,5-bis[(dimethylamino)methyl]-4-hydroxy-","","","","","","","","","","","","","","","","","","","","Benzaldehyde, 3,5-bis[(dimethylamino)methyl]-4-hydroxy-","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C=O","SBQUEJATYBSFNE-UHFFFAOYSA-N","384898",NA,"PDBC31658","675584","Present"
-"Benzaldehyde, 4-(dipropylamino)-","","","","","","","","","","","","","","","","","","","","NSC757915","","CCCN(CCC)C1=CC=C(C=C1)C=O","HDOZLDYBGNJMMZ-UHFFFAOYSA-N","69171",NA,"PDBC31659","757915","Present"
-"Benzaldehyde, 4-[bis[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]amino]-","","","","","","","","","","","","","","","","","","","","Benzaldehyde, p-[bis(2-hydroxyethyl)amino]-, di-p-toluen...","","CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C=O","LVRMKEYJIDODQY-UHFFFAOYSA-N","253329",NA,"PDBC31660","76172","Present"
-"Benzaldehyde, bis(phenylmethyl)hydrazone","","","","","","","","","","","","","","","","","","","","NSC109929","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)N=CC3=CC=CC=C3","GLRHIFIUOXQKIX-JWGURIENSA-N","5368658",NA,"PDBC31661","109929","Present"
-"Benzaldehyde, dimethylsulfonate, hydrochloride","","","","","","","","","","","","","","","","","","","","Benzaldehyde, p-[bis(2-hydroxyethyl)amino]purin-6-ylhydr...","","CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NNC2=NC=NC3=C2NC=N3.Cl","QTBONYZWTPJGRK-YDLOHEMZSA-N","54609493",NA,"PDBC31662","54012","Present"
-"Benzaldehyde, p-hydroxy-, 6-nitro-2-benzothiazolylhydrazone","","","","","","","","","","","","","","","","","","","","NIOSH/CU6715000","","C1=CC(=CC=C1C=NNC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])O","DWWMZADRQWXKFN-OVCLIPMQSA-N","135408744",NA,"PDBC31663","4475","Present"
-"Benzaldehyde, p-nitro-, (5-nitro-2-pyridyl)hydrazone","","","","","","","","","","","","","","","","","","","","Benzaldehyde, p-nitro-, (5-nitro-2-pyridyl)hydrazone","","C1=CC(=CC=C1C=NNC2=NC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","FXXHPQUJYKEZOI-AUWJEWJLSA-N","6110245",NA,"PDBC31664","42365","Present"
-"Benzamide riboside","","","","","","","","","","","","","","","","","","","","Benzamide riboside","","C1=CC(=CC(=C1)C(=O)N)C2C(C(C(O2)CO)O)O","WIYQAQIDVXSPMY-UHFFFAOYSA-N","122749",NA,"PDBC31665","645647","Present"
-"Benzamide riboside monophosphate","","","","","","","","","","","","","","","","","","","","Benzamide riboside monophosphate","","C1=CC(=CC(=C1)C(=O)N)C2C(C(C(O2)COP(=O)(O)O)O)O.[Na+]","RVDRUPJRLRQRRG-UHFFFAOYSA-N","54600731",NA,"PDBC31666","645648","Present"
-"Benzamide, 2,4-dichloro-N-[2-[[(2E)-3-[2-(4,5-dihydro-5,6-diphenyl-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-2-propenyl]thio]phenyl]-","","","","","","","","","","","","","","","","","","","","2,4-Dichloro-N-[2-[(E)-3-[2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylphenyl]benzamide","","C1=CC=C(C=C1)C2C(=NNC(=N2)NNC=CC(C3=CC=CC=C3)SC4=CC=CC=C4NC(=O)C5=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6","DMLOPYUIVRRXDB-GHVJWSGMSA-N","5936348",NA,"PDBC31667","640633","Present"
-"Benzamide, 2-nitro-4-((6-nitro-4-quinolinyl)amino)-N-(4-(4-pyridinylamino)phenyl)-","","","","","","","","","","","","","","","","","","","","Benzamide, 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-...","","C1=CC(=CC=C1NC2=CC=NC=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-])[N+](=O)[O-]","YUOOWNPVFAMPNZ-UHFFFAOYSA-N","5236119",NA,"PDBC31668","202386","Present"
-"Benzamide, 3,4,5-trimethoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-","","","","","","","","","","","","","","","","","","","","Benzamide, 3,4,5-trimethoxy-N-(5,6,7,9-tetrahydro-1,2,3,...","","COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC","YWIKVBNQUVBQEN-UHFFFAOYSA-N","434718",NA,"PDBC31669","355256","Present"
-"Benzamide, 4,4'-dithiobis[2-chloro-5-[(3H-imidazo[4,5-b]pyridin-2-ylamino)sulfonyl]-N-phenyl-","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[5-chloro-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-N-phenylbenzamide","","C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=CC=C4)S(=O)(=O)NC5=NC6=C(N5)C=CC=N6)S(=O)(=O)NC7=NC8=C(N7)C=CC=N8","UWUVKHYTJLEFHF-UHFFFAOYSA-N","397060",NA,"PDBC31670","704342","Present"
-"Benzamide, 4-(acetylamino)-N-(4-oxo-2-phenyl-3-thiazolidinyl)-","","","","","","","","","","","","","","","","","","","","Benzamide, 4-(acetylamino)-N-(4-oxo-2-phenyl-3-thiazolidinyl)-","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC=CC=C3","FDCZYVFCYYVZEY-UHFFFAOYSA-N","375544",NA,"PDBC31671","655332","Present"
-"Benzamide, 4-amino-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)-","","","","","","","","","","","","","","","","","","","","Benzamide, 4-amino-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)-","","CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)N","JBWWDTDHGSKSEO-UHFFFAOYSA-N","376416",NA,"PDBC31672","657330","Present"
-"Benzamide, 4-amino-N-[(Z)-1-(6,11-dihydro-6,11-dioxo-3H-anthra[1,2-d]imidazol-2-yl)-2-(3-nitrophenyl)ethenyl]-","","","","","","","","","","","","","","","","","","","","4-Amino-N-[(Z)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)C(=CC5=CC(=CC=C5)[N+](=O)[O-])NC(=O)C6=CC=C(C=C6)N","JIJBKSPGDRDYFX-IWIPYMOSSA-N","5387512",NA,"PDBC31673","624414","Present"
-"Benzamide, 4-amino-N-[1-(6,11-dihydro-6,11-dioxo-3H-anthra[1,2-c]pyrazol-2-yl)-4-(2-furanyl)-1,3-butadienyl]-","","","","","","","","","","","","","","","","","","","","Benzamide, 4-amino-N-[1-(6,11-dihydro-6,11-dioxo-3H-anth...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)C(=CC=CC5=CC=CO5)NC(=O)C6=CC=C(C=C6)N","NXYPOZHHRVRHCP-SRZODOGPSA-N","5387523",NA,"PDBC31674","624426","Present"
-"Benzamide, 4-nitro-N-[(phenylamino)thioxomethyl]-","","","","","","","","","","","","","","","","","","","","Benzamide, 4-nitro-N-[(phenylamino)thioxomethyl]- (9CI)","","C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","CLUCQDRQMGVTGD-UHFFFAOYSA-N","763768",NA,"PDBC31675","131943","Present"
-"Benzamide, N,N'-[1,4-phenylenebis[(Z)-1-(5-nitro-1H-benzimidazol-2-yl)-2,1-ethenediyl]]bis-","","","","","","","","","","","","","","","","","","","","N-[(Z)-2-[4-[(Z)-2-Benzamido-2-(5-nitro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(5-nitro-1H-benzimidazol-2-yl)ethenyl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=C(N3)C=CC(=C4)[N+](=O)[O-])NC(=O)C5=CC=CC=C5)C6=NC7=C(N6)C=CC(=C7)[N+](=O)[O-]","ZMKQXKHGOTXVSE-NBDJWBGESA-N","135510070",NA,"PDBC31676","624429","Present"
-"Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-2-nitro-","","","","","","","","","","","","","","","","","","","","Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- nitro...","","C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)[N+](=O)[O-])[N+](=O)[O-]","HUXRBUKWTWHLEZ-UHFFFAOYSA-N","361311",NA,"PDBC31677","624285","Present"
-"Benzamide, N-(4,5-dioxo-1,3-diphenyl-2-imidazolidinylidene)-","","","","","","","","","","","","","","","","","","","","Benzamide, N-(4,5-dioxo-1,3-diphenyl-2-imidazolidinylidene)-","","C1=CC=C(C=C1)C(=O)N=C2N(C(=O)C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4","VEFUTPAZBSHDMO-UHFFFAOYSA-N","383264",NA,"PDBC31678","671378","Present"
-"Benzamide, N-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-","","","","","","","","","","","","","","","","","","","","Benzamide, N-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-","","CC1(CC(=CC(=O)C1)NC(=O)C2=CC=CC=C2)C","XAXJAVCKMWVKNB-UHFFFAOYSA-N","359535",NA,"PDBC31679","620518","Present"
-"Benzamide, N-[3-(phenylsulfonyl)-2-thienyl]-","","","","","","","","","","","","","","","","","","","","Benzamide, N-[3-(phenylsulfonyl)-2-thienyl]-","","C1=CC=C(C=C1)C(=O)NC2=C(C=CS2)S(=O)(=O)C3=CC=CC=C3","MUMNOQLMMQKDKJ-UHFFFAOYSA-N","392838",NA,"PDBC31680","693816","Present"
-"Benzamide, N-[[[3-[(5-chloro-2-pyrimidinyl)oxy]-4-methylphenyl]amino]carbonyl]-2,4-dinitro-","","","","","","","","","","","","","","","","","","","","Benzamide, N-[[[3-[(5-chloro-2-pyrimidinyl)oxy]-4- methy...","","CC1=C(C=C(C=C1)NC(=O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=NC=C(C=N3)Cl","SZAXVQXCAWBQNQ-UHFFFAOYSA-N","361503",NA,"PDBC31681","624547","Present"
-"Benzamide, N-[[[4-(3-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl]carbonyl]oxy]-","","","","","","","","","","","","","","","","","","","","Benzamide, N-[[[4-(3-methoxyphenyl)-2-methyl-5-phenyl- 1...","","CC1=C(C(=C(N1)C2=CC=CC=C2)C3=CC(=CC=C3)OC)C(=O)ONC(=O)C4=CC=CC=C4","ZKERBMJBWOTKKI-UHFFFAOYSA-N","398160",NA,"PDBC31682","707692","Present"
-"Benzamide, m-(3,3-dimethyl-1-triazeno)-","","","","","","","","","","","","","","","","","","","","Benzamide, m-(3,3-dimethyl-1-triazeno)-","","CN(C)N=NC1=CC=CC(=C1)C(=O)N","XKCXZUQTZBASRF-UHFFFAOYSA-N","97649",NA,"PDBC31683","140017","Present"
-"Benzamide, p-(3,3-dimethyl-1-triazeno)-","","","","","","","","","","","","","","","","","","","","dm-conh2","","CN(C)N=NC1=CC=C(C=C1)C(=O)N","NRVPCDAKWQWYRU-UHFFFAOYSA-N","93163",NA,"PDBC31684","86441","Present"
-"Benzamide,5-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-methyl-","","","","","","","","","","","","","","","","","","","","Benzamide, N-[5-(2-deoxy-.beta.-D-erythro-pentaofuranosy...","","CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=N2)C3CC(C(O3)CO)O","CQWYJPHRKVKMEU-UHFFFAOYSA-N","296462",NA,"PDBC31685","166624","Present"
-"Benzamido 2-methyl-4-(4-methylphenyl)-5-phenyl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Benzamido 2-methyl-5-phenyl-4-(p-tolyl)-1h-pyrrole-3-carboxylate","","CC1=CC=C(C=C1)C2=C(NC(=C2C(=O)ONC(=O)C3=CC=CC=C3)C)C4=CC=CC=C4","XNLUNHUXOYLIKB-UHFFFAOYSA-N","398159",NA,"PDBC31686","707691","Present"
-"Benzamido 4-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Benzamido 4-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate","","CC1=C(C(=C(N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)ONC(=O)C4=CC=CC=C4","FKDRXMXTHPBZKI-UHFFFAOYSA-N","398161",NA,"PDBC31687","707693","Present"
-"Benzathine tenuazonate","","","","","","","","","","","","","","","","","","","","Benzathine tenuazonate","","CCC(C)C1C(=O)C(=C(C)O)C(=O)N1.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2","RJXIEKYGQXKCJL-NODMZVMPSA-N","135476764",NA,"PDBC31688","82260","Present"
-"Benzaurin","","","","","","","","","","","","","","","","","","","","Benzaurin","","C1=CC=C(C=C1)C(=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O","IWNZKMGBKBEPSO-UHFFFAOYSA-N","244745",NA,"PDBC31689","55861","Present"
-"Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-","","","","","","","","","","","","","","","","","","","","Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)F","YPMSJWNNIBRQDS-UHFFFAOYSA-N","396815",NA,"PDBC31690","703788","Present"
-"Benzenamine, 4-(2-benzothiazolyl)-2-iodo-","","","","","","","","","","","","","","","","","","","","benzothiazole, 2-(4-amino-3-iodophenyl)-","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)I","UZZOZUQVHHJNTR-UHFFFAOYSA-N","384526",NA,"PDBC31691","674496","Present"
-"Benzenamine, 4-(4-fluoro-2-benzothiazolyl)-2-methyl-","","","","","","","","","","","","","","","","","","","","Benzenamine, 4-(4-fluoro-2-benzothiazolyl)-2-methyl-","","CC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3S2)F)N","ILHIPVYEKVGUKF-UHFFFAOYSA-N","397873",NA,"PDBC31692","706705","Present"
-"Benzenamine, 4-[2-(4-quinolinyl)ethenyl]-","","","","","","","","","","","","","","","","","","","","4-p-Diaminostyrylquinone","","C1=CC=C2C(=C1)C(=CC=N2)C=CC3=CC=C(C=C3)N","ZAEBBDZNEDAXHL-VMPITWQZSA-N","5929136",NA,"PDBC31693","59065","Present"
-"Benzenamine, N-(2,3-dihydro-2-phenyl-1H-isoindol-1-ylidene)-","","","","","","","","","","","","","","","","","","","","Benzenamine, N-(2,3-dihydro-2-phenyl-1H-isoindol-1-ylidene)-","","C1C2=CC=CC=C2C(=NC3=CC=CC=C3)N1C4=CC=CC=C4","NYFZFDOLBPSPCL-UHFFFAOYSA-N","376359",NA,"PDBC31694","657191","Present"
-"Benzenamine, N-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol]-5-ylidene)-","","","","","","","","","","","","","","","","","","","","Benzenamine, N-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]...","","CC1(CC2(C(O2)C3(C1)N=NC(=NC4=CC=CC=C4)O3)C)C","MFTSRMJYWLCCSA-UHFFFAOYSA-N","329319",NA,"PDBC31695","311165","Present"
-"Benzenamine, N-(4-ethylphenyl)-2,4-dinitro-","","","","","","","","","","","","","","","","","","","","Benzenamine, N-(4-ethylphenyl)-2,4-dinitro-","","CCC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","MYGPJNBHFKQYGJ-UHFFFAOYSA-N","363142",NA,"PDBC31696","627724","Present"
-"Benzenamine, hydrobromide, (2Z)-","","","","","","","","","","","","","","","","","","","","Benzenamine, N-[4-(4-chlorophenyl)-3-(2-propenyl)- 2(3H)...","","COC1=CC=CC=C1N=C2N(C(=CS2)C3=CC=C(C=C3)Cl)CC=C.Br","HDROVGYYARQKOS-UHFFFAOYSA-N","396119",NA,"PDBC31697","701666","Present"
-"Benzenamine,1-dimethylethyl)-N-hydroxy-4-methyl-","","","","","","","","","","","","","","","","","","","","Benzenamine, N-(1,1-dimethylethyl)-N-hydroxy-4-methyl-","","CC1=CC=C(C=C1)N(C(C)(C)C)O","QEUYWYSHPWRQMC-UHFFFAOYSA-N","300971",NA,"PDBC31698","176889","Present"
-"Benzenamine,10-dihydro-8-imino-7-methyl-10-phenyl-2-phenazinyl)azo]-N,N-dimethyl-, monohydrochloride","","","","","","","","","","","","","","","","","","","","Benzenamine, 4-[(8,10-dihydro-8-imino-7-methyl-10-phenyl...","","CC1=CC2=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)N(C)C)N(C2=CC1=N)C5=CC=CC=C5.Cl","GEKAQVYZDJWDOO-UHFFFAOYSA-N","24197339",NA,"PDBC31699","260642","Present"
-"Benzenamine,2-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-","","","","","","","","","","","","","","","","","","","","2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline","","C1=CC=C(C(=C1)N)SCC2=CSC(=N2)C3=CC=C(C=C3)Cl","PGYRTAKPHAXCFJ-UHFFFAOYSA-N","329202",NA,"PDBC31700","310365","Present"
-"Benzenamine,N-bis(2-chloroethyl)-4-ethoxy-, hydrochloride","","","","","","","","","","","","","","","","","","","","Benzenamine, N,N-bis(2-chloroethyl)-4-ethoxy-, hydrochlo...","","CCOC1=CC=C(C=C1)N(CCCl)CCCl.Cl","VZFGFONAKJJBAD-UHFFFAOYSA-N","21144784",NA,"PDBC31701","309455","Present"
-"Benzene, 1,1'-(dinitroethenylidene)bis-","","","","","","","","","","","","","","","","","","","","1,1-Dinitro-2,2-diphenylethene","","C1=CC=C(C=C1)C(=C([N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2","WBSRCMFCSNWTFZ-UHFFFAOYSA-N","363694",NA,"PDBC31702","628809","Present"
-"Benzene, 1,2-bis(2-pyridin-2-ylethynyl)-","","","","","","","","","","","","","","","","","","","","Benzene, 1,2-bis(2-pyridin-2-ylethynyl)-","","C1=CC=C(C(=C1)C#CC2=CC=CC=N2)C#CC3=CC=CC=N3","FNUCEKUSUXIHOK-UHFFFAOYSA-N","624485",NA,"PDBC31703","727183","Present"
-"Benzene, 1,5-bis(1,2-dichloro-2-phenylethyl)-2,4-dinitro-","","","","","","","","","","","","","","","","","","","","Benzene, 1,5-bis(1,2-dichloro-2-phenylethyl)-2,4-dinitro-","","C1=CC=C(C=C1)C(C(C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(C(C3=CC=CC=C3)Cl)Cl)Cl)Cl","BCPUHZDSXYHLJT-UHFFFAOYSA-N","367122",NA,"PDBC31704","636509","Present"
-"Benzene, 1-(2,4-dimethylphenoxy)-2,4-dinitro-","","","","","","","","","","","","","","","","","","","","Benzene, 1-(2,4-dimethylphenoxy)-2,4-dinitro-","","CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C","DQCCAZBFAZSFDZ-UHFFFAOYSA-N","363141",NA,"PDBC31705","627723","Present"
-"Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-","","","","","","","","","","","","","","","","","","","","Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-","","CC1=CC=C(C=C1)S(=O)C2=CC=CC=C2[N+](=O)[O-]","NLGBOIUKPNEXTR-UHFFFAOYSA-N","364238",NA,"PDBC31706","630142","Present"
-"Benzene, 1-methyl-4-(phenylsulfonyl)-","","","","","","","","","","","","","","","","","","","","phenyl p-tolyl sulfone","","CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2","YBRXHRWLEFCFEG-UHFFFAOYSA-N","69497",NA,"PDBC31707","2724","Present"
-"Benzene, 1-nitro-2-(phenylsulfinyl)-","","","","","","","","","","","","","","","","","","","","Benzene, 1-nitro-2-(phenylsulfinyl)-","","C1=CC=C(C=C1)S(=O)C2=CC=CC=C2[N+](=O)[O-]","UQDQXWRDAPUTAL-UHFFFAOYSA-N","364237",NA,"PDBC31708","630141","Present"
-"Benzene,2-dichloro-4-(2-nitroethenyl)-","","","","","","","","","","","","","","","","","","","","styrene, 3,4-dichloro-.beta.-nitro- (8ci)","","C1=CC(=C(C=C1C=C[N+](=O)[O-])Cl)Cl","XHGCFWXSHIHYFH-ARJAWSKDSA-N","54605559",NA,"PDBC31709","38663","Present"
-"Benzene-1, N,N'-bis[3-[(dimethylamino)methyl]-5-[(2-chloroethyl)ethylamino]phenyl]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Benzene-1,4-dicarboxamide, N,N'-bis[3-[(dimethylamino)me...","","CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC(=C3)CN(C)C)N(CC)CCCl)CN(C)C.Cl","ONFXWKXZNKTVMR-UHFFFAOYSA-N","382447",NA,"PDBC31710","670013","Present"
-"Benzeneacetamide, N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3","AMRYZKMLZXCTLW-UHFFFAOYSA-N","373545",NA,"PDBC31711","649998","Present"
-"Benzeneacetamide,4-dichloro-N-methyl-N-[3-[(methyl)[3-(1-pyrrolidinyl)propyl]amino]propyl]-, diethanedioate (dioxalate)","","","","","","","","","","","","","","","","","","","","Benzeneacetamide, 3,4-dichloro-N-methyl-N-[3- [(methyl)[...","","CN(CCCN1CCCC1)CCCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O","XRCGZXVKXPERLL-UHFFFAOYSA-N","398603",NA,"PDBC31712","708559","Present"
-"Benzeneacetic acid, 2-methoxy-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 1-methylethyl ester","","","","","","","","","","","","","","","","","","","","Benzeneacetic acid, 2-methoxy-5-[[(2-methyl-3-furanyl) t...","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)OC)CC(=O)OC(C)C","SGKMPSZPIABAFD-UHFFFAOYSA-N","3000952",NA,"PDBC31713","650058","Present"
-"Benzeneamine, N,N-dimethyl-4-[[3-methyl-2-(methylimino)-1,3-thiazetidin-4-ylidene]amino]-","","","","","","","","","","","","","","","","","","","","Benzeneamine, N,N-dimethyl-4-[[3-methyl-2-(methylimino)-...","","CN=C1N(C(=NC2=CC=C(C=C2)N(C)C)S1)C","KWDHPBLNQJZMDU-UHFFFAOYSA-N","364039",NA,"PDBC31714","629655","Present"
-"Benzenebismaleimide adduct","","","","","","","","","","","","","","","","","","","","mitindomide","","C1=CC2C3C(C1C4C2C(=O)NC4=O)C5C3C(=O)NC5=O","DRCJGCOYHLTVNR-UHFFFAOYSA-N","323533",NA,"PDBC31715","284356","Present"
-"Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro-ethyl)amino]-","","","","","","","","","","","","","","","","","","","","Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro- ethy...","","C1=CC=C(C=C1)CNC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl","OJZUKCOMYQAOMB-UHFFFAOYSA-N","278929",NA,"PDBC31716","128887","Present"
-"Benzenecarbothioamide, N-hydroxy-N-(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","ODICBYUPKZRFOG-UHFFFAOYSA-","","C1=CC=C(C=C1)CN(C(=S)C2=CC=CC=C2)O","ODICBYUPKZRFOG-UHFFFAOYSA-N","371712",NA,"PDBC31717","646160","Present"
-"Benzenecarbothioamide,1-dimethylethoxy)imino]methyl]phenyl]-","","","","","","","","","","","","","","","","","","","","Benzenecarbothioamide, N-[4-chloro-3-[[(1,1-dimethyletho...","","CC(C)(C)ON=CC1=C(C=CC(=C1)NC(=S)C2=CC=CC=C2)Cl","LHSQNTXAIGVGEO-UDWIEESQSA-N","5351399",NA,"PDBC31718","645547","Present"
-"Benzenecarboximidamide, 4-methyl-N'-phenyl-N-(triphenylphosphoranylidene)-","","","","","","","","","","","","","","","","","","","","Benzenecarboximidamide, 4-methyl-N'-phenyl-N-(triphenylp...","","CC1=CC=C(C=C1)C(=NC2=CC=CC=C2)N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5","GRKPHEIHPBJWHB-UHFFFAOYSA-N","327782",NA,"PDBC31719","304400","Present"
-"Benzenecarboximidamide,4'-[(2,6-dihydroxy-1,5-naphthalenediyl)bis(azo)]bis-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Benzenecarboximidamide, 4,4'-[(2,6-dihydroxy-1,5-naphtha...","","C1=CC(=CC=C1C(=N)N)N=NC2=C(C=CC3=C2C=CC(=C3)O)O.Cl","OFNKMZVVBWLRPK-UHFFFAOYSA-N","135502355",NA,"PDBC31720","356821","Present"
-"Benzenecarboximidothioic acid, anhydrosulfide with diethylcarbamodithioic acid","","","","","","","","","","","","","","","","","","","","Benzenecarboximidothioic acid, N-[(diethylamino) thioxom...","","CCN(CC)C(=S)N=C(C1=CC=CC=C1)SC(=S)N(CC)CC","ICYQVTHBPCBIFP-SDXDJHTJSA-N","5924114",NA,"PDBC31721","694569","Present"
-"Benzeneethanamine, 3,4-dimethoxy-N-(2,3-dimethoxybenzyl)","","","","","","","","","","","","","","","","","","","","Benzeneethanamine, 3,4-dimethoxy-N-(2,3-dimethoxybenzyl)","","COC1=C(C=C(C=C1)CCNCC2=C(C(=CC=C2)OC)OC)OC","RZNLZECAKUHOIU-UHFFFAOYSA-N","361499",NA,"PDBC31722","624536","Present"
-"Benzeneethanamine, monohydrochloride","","","","","","","","","","","","","","","","","","","","Benzeneethanamine, 4-[bis(2-chloroethyl)amino]-, monohyd...","","C1=CC(=CC=C1CCN)N(CCCl)CCCl.Cl","YFXVBSNLPLQRNQ-UHFFFAOYSA-N","21123049",NA,"PDBC31723","240533","Present"
-"Benzeneethanamine,4-dimethyl-, sulfate (2:1)","","","","","","","","","","","","","","","","","","","","Benzeneethanamine, .alpha.,4-dimethyl-, sulfate (2:1) (9CI)","","CC1=CC=C(C=C1)CC(C)N.OS(=O)(=O)O","YYRWBLJJRRBQDK-UHFFFAOYSA-N","21151535",NA,"PDBC31724","27114","Present"
-"Benzeneethanol, alpha-(3,4-dimethoxyphenyl)-beta-(1H-imidazol-1-ylmethylene)-","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-Dimethoxyphenyl)-3-imidazol-1-yl-2-phenyl-prop-2-en-1-ol","","COC1=C(C=C(C=C1)C(C(=CN2C=CN=C2)C3=CC=CC=C3)O)OC","IKCJARORQJCFIF-GHRIWEEISA-N","3003534",NA,"PDBC31725","649315","Present"
-"Benzenemethanamine,N'-(1,1'-biphenyl]-2,2'-diyldimethylidyne)bis-","","","","","","","","","","","","","","","","","","","","Benzenemethanamine, N,N'-(1,1'-biphenyl]-2,2'-diyldimeth...","","C1=CC=C(C=C1)CN=CC2=CC=CC=C2C3=CC=CC=C3C=NCC4=CC=CC=C4","RWFUQMSVHGTTMK-UHFFFAOYSA-N","424649",NA,"PDBC31726","167172","Present"
-"Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester","","","","","","","","","","","","","","","","","","","","LAVBKIWRWNKSGD-UHFFFAOYSA-N","","C1=CC=C(C=C1)CSS(=O)(=O)CC2=CC=CC=C2","LAVBKIWRWNKSGD-UHFFFAOYSA-N","252586",NA,"PDBC31727","74663","Present"
-"Benzenemethanol, 2-amino-5-(2-benzothiazolyl)-","","","","","","","","","","","","","","","","","","","","Benzenemethanol, 2-amino-5-(2-benzothiazolyl)-","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)CO","HKANFMMEESOKLQ-UHFFFAOYSA-N","397506",NA,"PDBC31728","705627","Present"
-"Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-","","","","","","","","","","","","","","","","","","","","Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-","","COC1=CC(=CC(=C1OC)OC)CCC(=O)NS(=O)(=O)C2=CC=CC=C2","UBSZOLJIGJFDFI-UHFFFAOYSA-N","357771",NA,"PDBC31729","617294","Present"
-"Benzenepropanoic acid","","","","","","","","","","","","","","","","","","","","Benzenepropanoic acid","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)CCC(=O)O)C)OC(=O)C","NZQWSYQBMNULIX-CDQLBASDSA-N","6711255",NA,"PDBC31730","600222","Present"
-"Benzenepropenoic acid, 4-(acetylamino)phenyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[3-[4-(acetylamino)phenoxy]-3-oxy-1- pro...","","CC(=O)NC1=CC=C(C=C1)OC(=O)C=CC2=CC(=C(C=C2)C(=O)OCC3=CC=CC=C3)OC","BQLNPVBRBGENOF-OQLLNIDSSA-N","5904969",NA,"PDBC31731","626885","Present"
-"Benzenepropenoic acid, phenyl ester","","","","","","","","","","","","","","","","","","","","Benzenepropenoic acid, 3-methoxy-4-[(phenylethenyloxy) c...","","COC1=C(C=CC(=C1)C=CC(=O)OC2=CC=CC=C2)C(=O)OC=CC3=CC=CC=C3","KWKVWLLCZGKCMZ-TZSXFDEBSA-N","5909308",NA,"PDBC31732","626883","Present"
-"Benzenesulfonamide, 4-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)-","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, 4-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)-","","C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=C(C=C3)S(=O)(=O)N","JJSZFFMWZHQMED-UHFFFAOYSA-N","383271",NA,"PDBC31733","671385","Present"
-"Benzenesulfonamide, 4-[(9-acridinylmethyl)amino]-N-(aminoiminomethyl)-","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, 4-[(9-acridinylmethyl)amino]-N-(amin...","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","RXMJKDVBBVPVDA-UHFFFAOYSA-N","335981",NA,"PDBC31734","348894","Present"
-"Benzenesulfonamide, 4-[[[(diethylamino)thioxomethyl]thio]amino]-","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, 4-[[[(diethylamino)thioxomethyl]thio...","","CCN(CC)C(=S)SNC1=CC=C(C=C1)S(=O)(=O)N","GSPMZBWPTQFMMF-UHFFFAOYSA-N","395822",NA,"PDBC31735","700714","Present"
-"Benzenesulfonamide, N,N,4-trimethyl-3-nitro-","","","","","","","","","","","","","","","","","","","","p-toluenesulfonamide, n,n-dimethyl-3-nitro- (8ci)","","CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)[N+](=O)[O-]","HUMQVESBHAREIH-UHFFFAOYSA-N","66778",NA,"PDBC31736","37003","Present"
-"Benzenesulfonamide, N-[[(2-methoxyphenyl)amino]carbonyl]-","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, N-[[(2-methoxyphenyl)amino]carbonyl]-","","COC1=CC=CC=C1NC(=O)NS(=O)(=O)C2=CC=CC=C2","GCJARYIZMAZEMN-UHFFFAOYSA-N","360364",NA,"PDBC31737","622424","Present"
-"Benzenesulfonamide, p-(3,3-dimethyl-1-triazeno)-","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, p-(3,3-dimethyl-1-triazeno)-","","CN(C)N=NC1=CC=C(C=C1)S(=O)(=O)N","IFQFVDMOGCFZIF-UHFFFAOYSA-N","94575",NA,"PDBC31738","157030","Present"
-"Benzenesulfonamide, p-[[(2-aminopurin-6-yl)thio]azo]-","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, p-[[(2-aminopurin-6-yl)thio]azo]-","","C1=CC(=CC=C1N=NSC2=NC(=NC3=C2NC=N3)N)S(=O)(=O)N","UGWIMXFQSCFSHQ-UHFFFAOYSA-N","4642645",NA,"PDBC31739","77502","Present"
-"Benzenesulfonamide,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)-N-phenyl-","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, 4-(1,4,5,6,7,7-hexachlorobicyclo[2.2...","","C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4","MTHHBKGUMCTKRN-UHFFFAOYSA-N","232421",NA,"PDBC31740","29828","Present"
-"Benzenesulfonamide,4-dioxo-2-naphthyl]]-, hydroxy, inner salt","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, N-[3-[1-[4-(phenylcarbonyl)pyridinyl...","","C1=CC=C(C=C1)C(=C2C=C[N+](=C3C(=NS(=O)(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)C=C2)[O-]","QYIOCQCFJBHHCB-UHFFFAOYSA-N","9571593",NA,"PDBC31741","685895","Present"
-"Benzenesulfonic acid,2'-bis[[4-[[4-[(3-sulfophenyl)azo]-2-methoxyphenyl]azo]-2-sulfophenyl]-1,2-ethenediyl]-5,5'-oxadiaziridinediyl-, hexasodium salt","","","","","","","","","","","","","","","","","","","","Benzenesulfonic acid, 2,2'-bis[[4-[[4-[(3-sulfophenyl)az...","","COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N5N(O5)C6=CC(=C(C=C6)C=CC7=C(C=C(C=C7)N=NC8=C(C=C(C=C8)N=NC9=CC(=CC=C9)S(=O)(=O)O)OC)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","YPNYXFAKQVJCGB-KINJUSCWSA-N","54605357",NA,"PDBC31742","35613","Present"
-"Benzenesulfonic acid,3'-[(phenylamino)carbonyl]-3,4-tetra-zolium]bis(4-methoxy-6-nitro)-, sodium salt","","","","","","","","","","","","","","","","","","","","benzenesulfonic acid, 3,3'-[(phenylamino)carbonyl]-3,4-t...","","COC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC4=CC=CC=C4)S(=O)(=O)O)[N+](=O)[O-].[Na+]","JACYMBNQPPWQML-UHFFFAOYSA-N","54608586",NA,"PDBC31743","601519","Present"
-"Benzenesulfonic acid,3'-azoxybis[6-[2-[2-sulfo-4-[[4-[(4-sulfophenyl)azo]naphthalenyl]azo]phenyl]ethenyl]-, hexasodium salt","","","","","","","","","","","","","","","","","","","","Benzenesulfonic acid, 3,3'-azoxybis[6-[2-[2-sulfo-4-[[4-...","","C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=[N+](C5=CC(=C(C=C5)C=CC6=C(C=C(C=C6)N=NC7=CC=C(C8=CC=CC=C87)N=NC9=CC=C(C=C9)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O)N=NC1=CC=C(C=C1)S(=O)(=O)O.[Na+]","HKLKMEOWLJQKMJ-DOCFCHSNSA-N","54598507",NA,"PDBC31744","35616","Present"
-"Benzenesulfonic acid,5-cyclohexadien-1-ylidene)methyl]-, platinum complex","","","","","","","","","","","","","","","","","","","","Platinum, (1,2-cyclohexanediamine-N,N')bis[2-[(3-bromo- ...","","C1CCC(C(C1)N)N.C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)Br)C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)Br)C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].[Pt+4]","HTVOVHCTWVQJGK-SKFNRWCWSA-L","24201992",NA,"PDBC31745","615592","Present"
-"Benzenesulfonic acid;N-benzo[g]quinoxalin-3-yl-N',N'-dimethylpropane-1,3-diamine","","","","","","","","","","","","","","","","","","","","Benzenesulfonic acid;N-benzo[g]quinoxalin-3-yl-N',N'-dimethylpropane-1,3-diamine","","CN(C)CCCNC1=NC2=CC3=CC=CC=C3C=C2N=C1.C1=CC=C(C=C1)S(=O)(=O)O","PVFKXRQRELGFJW-UHFFFAOYSA-N","393611",NA,"PDBC31746","695803","Present"
-"Benzenesulfonothioic acid,2-butene-1,4-diyl ester, (Z)-","","","","","","","","","","","","","","","","","","","","Benzenesulfonothioic acid, 4-methyl-,2-butene-1,4-diyl e...///NSC624159","","CC1=CC=C(C=C1)S(=O)(=O)SCC=CCSS(=O)(=O)C2=CC=C(C=C2)C","MMBKGPMCUOXQRM-ARJAWSKDSA-N","5387485",NA,"PDBC31747","624158///624159","Present"
-"Benzenethiol, methyl-, mercury(2+) salt","","","","","","","","","","","","","","","","","","","","Benzenethiol, methyl-, mercury(2+) salt","","","","",NA,"PDBC31748","174137","Present"
-"Benzhydryl imidothiocarbamate 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","Benzhydryl carbamimidothioate;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)SC(=N)N","FMZUXYWDHIAQGT-UHFFFAOYSA-N","220442",NA,"PDBC31749","3204","Present"
-"Benzhydrylsulfonylsulfanylmethylbenzene","","","","","","","","","","","","","","","","","","","","Benzhydrylsulfonylsulfanylmethylbenzene","","C1=CC=C(C=C1)CSS(=O)(=O)C(C2=CC=CC=C2)C3=CC=CC=C3","XINRYQIHCBXJRR-UHFFFAOYSA-N","241855",NA,"PDBC31750","49733","Present"
-"Benzidine sulfone","","","","","","","","","","","","","","","","","","","","Benzidine sulfone","","C1=CC2=C(C=C1N)S(=O)(=O)C3=C2C=CC(=C3)N","FUXZRRZSHWQAAA-UHFFFAOYSA-N","80412",NA,"PDBC31751","13966","Present"
-"Benzilic acid, 2,2-dimethyl-4-ethyl-3-piperidinocyclobutyl ester","","","","","","","","","","","","","","","","","","","","LS-55920","","CCC1C(C(C1OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C)C)N4CCCCC4","ORGGZMATFTXBQJ-UHFFFAOYSA-N","58160",NA,"PDBC31752","665731","Present"
-"Benzimidazo[1,2-c]quinazolin-6(12h)-one","","","","","","","","","","","","","","","","","","","","Benzimidazo[1,2-c]quinazolin-6(12h)-one","","C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=O)N2","FXLMBSXEKAGOTM-UHFFFAOYSA-N","135431964",NA,"PDBC31753","124202","Present"
-"Benzimidazole derivative","","","","","","","","","","","","","","","","","","","","Benzimidazole derivative","","C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)F","TUEVGHMVASKCCE-UHFFFAOYSA-N","361994",NA,"PDBC31754","625473","Present"
-"Benzimidazole thiophene analogue, 58","","","","","","","","","","","","","","","","","","","","GSK1030062A","","CN(C)C(=O)C1=C(C=C(S1)N2C=NC3=CC(=C(C=C32)OC)OC)OCC4=CC=CC=C4C(F)(F)F","CKYDKNBLVBVPCS-UHFFFAOYSA-N","25263116",NA,"PDBC31755","756138","Present"
-"Benzimidazole thiosemicarbazone derivative","","","","","","","","","","","","","","","","","","","","benzimidazole thiosemicarbazone derivative","","CC(=NNC(=S)NC1=CC=CC=C1)C2=NC3=C(N2)C=C(C=C3)Cl","JHYAWTAJVUIOAY-FBHDLOMBSA-N","136040129",NA,"PDBC31756","753140","Present"
-"Benzimidazole, 5,5'-dithiobis(2-(trifluoromethyl)-","","","","","","","","","","","","","","","","","","","","1H-Benzimidazole, 5,5'-dithiobis[2-(trifluoromethyl)- (9CI)","","C1=CC2=C(C=C1SSC3=CC4=C(C=C3)N=C(N4)C(F)(F)F)NC(=N2)C(F)(F)F","BJIWXWHVTJMLCI-UHFFFAOYSA-N","59453",NA,"PDBC31757","659162","Present"
-"Benzimidazole, 5,6-dimethyl-2-mercaptomethyl-","","","","","","","","","","","","","","","","","","","","wln: t56 bm dnj c1sh g1 h1","","CC1=CC2=C(C=C1C)N=C(N2)CS","PXPXXPJORACKKN-UHFFFAOYSA-N","52210",NA,"PDBC31758","97104","Present"
-"Benzimidazole-urea, 15","","","","","","","","","","","","","","","","","","","","GW694590A","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4","LSYSLIJSKJGOJX-UHFFFAOYSA-N","17755137",NA,"PDBC31759","756319","Present"
-"Benzimidazole-urea, 19","","","","","","","","","","","","","","","","","","","","GW673715X","","CCC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC4=C(C=C3)N=C(N4)NC(=O)OC","IDBPJJQGJZOVMW-UHFFFAOYSA-N","10160775",NA,"PDBC31760","756303","Present"
-"Benzimidazole-urea, 20","","","","","","","","","","","","","","","","","","","","GW694234A","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br","MZWXPLVBKPHKNC-UHFFFAOYSA-N","10163749",NA,"PDBC31761","756318","Present"
-"Benzimidazole-urea, 30","","","","","","","","","","","","","","","","","","","","GW659386A","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=CC(=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F","LQCMQMYFSPQXKA-UHFFFAOYSA-N","10300768",NA,"PDBC31762","756301","Present"
-"Benzimidazole-urea, 34","","","","","","","","","","","","","","","","","","","","GW607049C","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F","KBJVFZCXZGSCFO-UHFFFAOYSA-N","10186269",NA,"PDBC31763","756276","Present"
-"Benzimidazole-urea, 36","","","","","","","","","","","","","","","","","","","","GW680908A","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F","RJOBEDHRAOYOQX-UHFFFAOYSA-N","10280848",NA,"PDBC31764","756307","Present"
-"Benzimidazole-urea, 47","","","","","","","","","","","","","","","","","","","","GW709042A","","C1=CC=C(C=C1)C(=O)NC2=NC3=C(N2)C=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F","BUBCSTHPMRUDOR-UHFFFAOYSA-N","17755232",NA,"PDBC31765","756327","Present"
-"Benzimidazole-urea, 49","","","","","","","","","","","","","","","","","","","","GW683134A","","C1=COC(=C1)C(=O)NC2=NC3=C(N2)C=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F","ODKIFGJQIHHLAP-UHFFFAOYSA-N","10230568",NA,"PDBC31766","756312","Present"
-"Benziodarone","","","","","","","","","","","","","","","","","","","","Algocor","","CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I","CZCHIEJNWPNBDE-UHFFFAOYSA-N","6237",NA,"PDBC31767","82133","Present"
-"Benzo(1,2,3)triazolium-trans-tetrachlorobis-benzo(1,2,3)...","","","","","","","","","","","","","","","","","","","","Benzo(1,2,3)triazolium-trans-tetrachlorobis-benzo(1,2,3)...","","","","",NA,"PDBC31768","630113","Present"
-"Benzo(A)pyrene-6,12-dione","","","","","","","","","","","","","","","","","","","","BP-6,12-Quinone","","C1=CC=C2C(=C1)C3=CC(=O)C4=CC=CC5=C4C3=C(C2=O)C=C5","HSJQJGAVYCLWJA-UHFFFAOYSA-N","18299",NA,"PDBC31769","625589","Present"
-"Benzo(a)phenazine-8-carboxamide, monohydrochloride","","","","","","","","","","","","","","","","","","","","Benzo(a)phenazine-8-carboxamide, N-[2-(dimethylamino)eth...","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC4=CC=CC=C43.Cl","MVTQGXKGLAHXIT-UHFFFAOYSA-N","358150",NA,"PDBC31770","617976","Present"
-"Benzo(f)quinazoline, 3-guanidino-1-methyl-, hydrochloride","","","","","","","","","","","","","","","","","","","","wln: t b666 dn fnj c1 emym&z &gh","","CC1=C2C(=NC(=N1)N=C(N)N)C=CC3=CC=CC=C32.Cl","OSIPRQQLLSQBDZ-UHFFFAOYSA-N","200222",NA,"PDBC31771","96641","Present"
-"Benzo(g)(2)benzopyrano(4,3-b)indol-5(13H)-one, 13-(3-(dimethylamino)propyl)-, monohydrochloride","","","","","","","","","","","","","","","","","","","","Benzo[g][2]benzopyrano[4,3-b]indol-5-one, 5,13-dihydro-1...","","CN(C)CCCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4.Cl","NRPKZBJQMMCLPA-UHFFFAOYSA-N","368090",NA,"PDBC31772","638432","Present"
-"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-hydroxyethyl)-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-hydroxyet...","","CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3)O","ICOJWFLYZGAGHZ-UHFFFAOYSA-N","391375",NA,"PDBC31773","690432","Present"
-"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-acetyl-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-acetyl-","","CC(=O)C1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3","TYNBBESGBCIKHW-UHFFFAOYSA-N","388028",NA,"PDBC31774","682453","Present"
-"Benzo[1,3-b']dithiophene-4,8-dione, 3,7-bis(acetyl)-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,3-b']dithiophene-4,8-dione, 3,7-bis(acetyl)-","","CC(=O)C1=CSC2=C1C(=O)C3=C(C2=O)C(=CS3)C(=O)C","OLPKQNGXYIVIEM-UHFFFAOYSA-N","376542",NA,"PDBC31775","657547","Present"
-"Benzo[1,4-b']dithiophene-2-carboxylic acid, 4,8-dioxo-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:5,4-b']dithiophene-2-carboxylic acid, 4,8-di...","","C1=CSC2=C1C(=O)C3=C(C2=O)SC(=C3)C(=O)O","WTAUYWUADNKEOY-UHFFFAOYSA-N","375906",NA,"PDBC31776","656243","Present"
-"Benzo[1,4-b']dithiophene-4,8-dione, 2,5-bis(1-acetoxyethyl)-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-bis(1-acet...","","CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C(=CS3)C(C)OC(=O)C)OC(=O)C","JFEMGTTXNHRUOR-UHFFFAOYSA-N","391378",NA,"PDBC31777","690435","Present"
-"Benzo[1,4-b']dithiophene-4,8-dione, 2,5-bis(1-hydroxyethyl)-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-bis(1-hydr...","","CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C(=CS3)C(C)O)O","SBHSPVCXPBMFDR-UHFFFAOYSA-N","391376",NA,"PDBC31778","690433","Present"
-"Benzo[1,4-b']dithiophene-4,8-dione, 2,5-diacetyl-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-diacetyl-","","CC(=O)C1=CC2=C(S1)C(=O)C3=C(C2=O)C(=CS3)C(=O)C","MNVOCRYKCUHENV-UHFFFAOYSA-N","388027",NA,"PDBC31779","682452","Present"
-"Benzo[1,4-b']dithiophene-4,8-dione, 2-(1-acetoxyethyl)-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-acetoxyet...","","CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3)OC(=O)C","LFJAPIMLXGZSSZ-UHFFFAOYSA-N","391377",NA,"PDBC31780","690434","Present"
-"Benzo[1,4-b']dithiophene-4,8-dione, 3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 3-methyl-","","CC1=CSC2=C1C(=O)C3=C(C2=O)SC=C3","VCOYOLYOUCACDJ-UHFFFAOYSA-N","375907",NA,"PDBC31781","656244","Present"
-"Benzo[1,5-b']-dithiophene-4,8-dione, 2,6-dinitro-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']-dithiophene-4,8-dione, 2,6-dinitro-","","C1=C(SC2=C1C(=O)C3=C(C2=O)C=C(S3)[N+](=O)[O-])[N+](=O)[O-]","JINIASJFBXDUOB-UHFFFAOYSA-N","388301",NA,"PDBC31782","682991","Present"
-"Benzo[1,5-b']-dithiophene-4,8-dione, 2-[(3-thienyl)carbonyl]-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']-dithiophene-4,8-dione, 2-[(3-thienyl...","","C1=CSC=C1C(=O)C2=CC3=C(S2)C(=O)C4=C(C3=O)SC=C4","AQEGJFFVCJQZAY-UHFFFAOYSA-N","388302",NA,"PDBC31783","682992","Present"
-"Benzo[1,5-b']dithiophene-4,8-diol, diacetate","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']dithiophene-4,8-diol, diacetate","","CC(=O)OC1=C2C=CSC2=C(C3=C1SC=C3)OC(=O)C","SCLGEDXTEAKPFK-UHFFFAOYSA-N","393649",NA,"PDBC31784","695914","Present"
-"Benzo[1,5-b']dithiophene-4,8-diol, dipropionate","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']dithiophene-4,8-diol, dipropionate","","CCC(=O)OC1=C2C=CSC2=C(C3=C1SC=C3)OC(=O)CC","OVFXCBKEPLFEQJ-UHFFFAOYSA-N","388303",NA,"PDBC31785","682993","Present"
-"Benzo[1,5-b']dithiophene-4,8-diol,diester with butanoic acid","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']dithiophene-4,8-diol,diester with but...","","CCCC(=O)OC1=C2C=CSC2=C(C3=C1SC=C3)OC(=O)CCC","UAMSHYUZUQTIGN-UHFFFAOYSA-N","388304",NA,"PDBC31786","682994","Present"
-"Benzo[1,5-b']dithiophene-4,8-dione, 2,7-dinitro-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2,7-dinitro-","","C1=C(SC2=C1C(=O)C3=C(C2=O)C(=CS3)[N+](=O)[O-])[N+](=O)[O-]","ZPTJGLPQTLNGGS-UHFFFAOYSA-N","387769",NA,"PDBC31787","681823","Present"
-"Benzo[1,5-b']dithiophene-4,8-dione, 2-nitro-","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-nitro-","","C1=CSC2=C1C(=O)C3=C(C2=O)C=C(S3)[N+](=O)[O-]","MTFATHXVPHMWKS-UHFFFAOYSA-N","387770",NA,"PDBC31788","681824","Present"
-"Benzo[5,6]cycloocta[1,2-b]thiophen-11(4H)-one, 5,10-dihydro-","","","","","","","","","","","","","","","","","","","","Benzo[5,6]cycloocta[1,2-b]thiophen-11(4H)-one, 5,10-dihydro-","","C1CC2=CC=CC=C2CC(=O)C3=C1C=CS3","MYHIITZSHOPFLN-UHFFFAOYSA-N","375812",NA,"PDBC31789","655974","Present"
-"Benzo[7,8]indolizino[2,3-b]quinoxaline-14-carbonitrile","","","","","","","","","","","","","","","","","","","","Benzo[7,8]indolizino[2,3-b]quinoxaline-14-carbonitrile","","C1=CC=C2C(=C1)C=CN3C2=C(C4=NC5=CC=CC=C5N=C43)C#N","SMVIZDJMEDIIJZ-UHFFFAOYSA-N","375327",NA,"PDBC31790","654901","Present"
-"Benzo[a]pyrene","","","","","","","","","","","","","","","","","","","","3,4-Benzpyrene","","C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3","FMMWHPNWAFZXNH-UHFFFAOYSA-N","2336",NA,"PDBC31791","21914","Present"
-"Benzo[a]quinolizinium,7-dihydro-2,4,7-triphenyl-, bromide","","","","","","","","","","","","","","","","","","","","Benzo[a]quinolizinium, 7-bromo-6,7-dihydro- 2,4,7-triphe...","","C1C(C2=CC=CC=C2C3=CC(=CC(=[N+]31)C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)Br.[Br-]","LOKICLTWFFRFII-UHFFFAOYSA-M","386208",NA,"PDBC31792","677924","Present"
-"Benzo[b][1, 10,10'-hexamethylene-bis[2,4-dimethyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Benzo[b][1,8]naphthyridin-5-imine, 10,10'-hexamethylene-...","","CC1=CC(=NC2=C1C(=N)C3=CC=CC=C3N2CCCCCCN4C5=CC=CC=C5C(=N)C6=C4N=C(C=C6C)C)C.Cl","NQLXJPDBJKSZIP-UHFFFAOYSA-N","387544",NA,"PDBC31793","681454","Present"
-"Benzo[b][1,4]benzothiazepin-6-amine","","","","","","","","","","","","","","","","","","","","5NHF6LM7CK","","C1=CC=C2C(=C1)C(=NC3=CC=CC=C3S2)N","HTGHLKRKXHUWOW-UHFFFAOYSA-N","374037",NA,"PDBC31794","651216","Present"
-"Benzo[b][1,7]phenanthrolin-7-amine","","","","","","","","","","","","","","","","","","","","Benzo[b][1,7]phenanthrolin-7-amine","","C1=CC=C2C(=C1)C(=C3C=CC4=C(C3=N2)C=CC=N4)N","RHRDMKUIKRPSNC-UHFFFAOYSA-N","391990",NA,"PDBC31795","691779","Present"
-"Benzo[b]biphenylene-5,10-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","Benzo[b]biphenylene-5,10-dicarboxylic acid","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C(=C23)C(=O)O)C(=O)O","VRIUCJHAQZKLLG-UHFFFAOYSA-N","363544",NA,"PDBC31796","628509","Present"
-"Benzo[b]quinolizinium, 6-methyl-bromide","","","","","","","","","","","","","","","","","","","","Benzo[b]quinolizinium, 6-methyl- bromide","","CC1=[N+]2C=CC=CC2=CC3=CC=CC=C13.[Br-]","UGLNRXTUFNEJJL-UHFFFAOYSA-M","19921723",NA,"PDBC31797","77809","Present"
-"Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-","","","","","","","","","","","","","","","","","","","","Benzo[b]thiophene-3-acetonitrile, .alpha.-(4-pyridinylme...","","C1=CC=C2C(=C1)C(=CS2)C(=CC3=CC=NC=C3)C#N","IWQPSCNFGMEEFM-UKTHLTGXSA-N","5358750",NA,"PDBC31798","176334","Present"
-"Benzo[c][1,3]dioxolo[4,5-j]phenanthridin-6-ol","","","","","","","","","","","","","","","","","","","","Benzo[c][1,3]dioxolo[4,5-j]phenanthridin-6-ol","","C1OC2=C(O1)C=C3C(=C2)C4=C(C5=CC=CC=C5C=C4)NC3=O","BTCMFYBRRRWIKA-UHFFFAOYSA-N","362555",NA,"PDBC31799","626630","Present"
-"Benzo[c]phenanthridinium,12-dihydroxy-3,8,9-trimethoxy-5-methyl-, chloride","","","","","","","","","","","","","","","","","","","","Benzo[c]phenanthridinium, 2,12-dihydroxy-3,8,9-trimethox...","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)O)O)OC)OC)OC.[Cl-]","SLTUNUCMPATMJX-UHFFFAOYSA-N","24200207",NA,"PDBC31800","363250","Present"
-"Benzo[c]phenanthridinium,3,8,9,12-pentamethoxy-5-methyl-, methanesulfonate","","","","","","","","","","","","","","","","","","","","Benzo[c]phenanthridinium, 2,3,8,9,12-pentamethoxy-5-meth...","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OC)OC)OC)OC)OC.CS(=O)(=O)[O-]","OKNKOJMMBDZXLQ-UHFFFAOYSA-M","21144847",NA,"PDBC31801","344688","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 10-chloro-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-17-chloro-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=C(C=C5)Cl)C(=O)N(C3=O)C6=CC=C(C=C6)OC","HGPVCPTYSNSUHM-UHFFFAOYSA-N","376305",NA,"PDBC31802","657020","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(2-chlorophenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(2-chlorophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6Cl","RHMHVJABEBFCCQ-UHFFFAOYSA-N","381758",NA,"PDBC31803","668830","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(3,4-dimethoxyphenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(3,4-dimethoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=C(C=C6)OC)OC","FDTNJDHPYUBKIS-UHFFFAOYSA-N","374512",NA,"PDBC31804","652263","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(3,5-dibromophenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(3,5-dibromophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=CC(=C6)Br)Br","VIWRPBKUWFHHFI-UHFFFAOYSA-N","381759",NA,"PDBC31805","668831","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(3-chlorophenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(3-chlorophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=CC=C6)Cl","CPQWLSMXDCOCJE-UHFFFAOYSA-N","381765",NA,"PDBC31806","668837","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(4-acetylphenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-","","","","","","","","","","","","","","","","","","","","4-(4-Acetylphenyl)-9-tert-butyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","ASEYMOCHRXPWDI-UHFFFAOYSA-N","374513",NA,"PDBC31807","652264","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-cyclohexyl-3b,4,5,6,7,7a,12,12b-octahydro-5-methyl-","","","","","","","","","","","","","","","","","","","","4-Cyclohexyl-9-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6CCCCC6","ZZUTXMQPHRBRJP-UHFFFAOYSA-N","381764",NA,"PDBC31808","668836","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","COC1=CC=C(C=C1)N2C(=O)C3C4CCCCC4C5=C(C3C2=O)NC6=CC=CC=C65","GECBHJXRQAUPDJ-UHFFFAOYSA-N","373640",NA,"PDBC31809","650360","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-4,4,6,6-tetramethyl-","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-8,8,10,10-tetramethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1(CC2C(C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC)C(C1)(C)C)C","HPOCWWVDGXTRGZ-UHFFFAOYSA-N","374509",NA,"PDBC31810","652260","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-4,6-dimethyl-","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-8,10-dimethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1CC(C2C(C1)C3=C(C4C2C(=O)N(C4=O)C5=CC=C(C=C5)OC)NC6=CC=CC=C63)C","ZOFLDUKQYYPYGC-UHFFFAOYSA-N","374508",NA,"PDBC31811","652259","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-2-(2,3-dimethylphenyl)-3b,4,5,6,7,7a,12,12b-octahydro-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(2,3-dimethylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1=C(C(=CC=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C)C","PGQYUCVWQUYKGG-UHFFFAOYSA-N","381766",NA,"PDBC31812","668838","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-2-(2,6-dimethylphenyl)-3b,4,5,6,7,7a,12,12b-octahydro-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(2,6-dimethylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1=C(C(=CC=C1)C)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","IDNCRGPUIYDYNH-UHFFFAOYSA-N","381763",NA,"PDBC31813","668835","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-2-(4-ethoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydro-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-ethoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CCOC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","HSDOQMNEGWLKEC-UHFFFAOYSA-N","374510",NA,"PDBC31814","652261","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(2-methoxyethyl)-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(2-methoxyethyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)CCOC","WWPQRNIXPZCCMI-UHFFFAOYSA-N","376303",NA,"PDBC31815","657018","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(2-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(2-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6OC","BMCDEOORWBCMRQ-UHFFFAOYSA-N","374511",NA,"PDBC31816","652262","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(3-methoxyphenyl)-9-methyl-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(3-methoxyphenyl)-16-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC(=CC=C6)OC)C(C)(C)C","XFXKCRPXBUUDKD-UHFFFAOYSA-N","379240",NA,"PDBC31817","663654","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(3-methoxypropyl)-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(3-methoxypropyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)CCCOC","AGCUNNGZFILFIJ-UHFFFAOYSA-N","376304",NA,"PDBC31818","657019","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxy-2-methylphenyl)-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-methoxy-2-methylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CC1=C(C=CC(=C1)OC)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","XKSSZSZFZRXUPX-UHFFFAOYSA-N","376301",NA,"PDBC31819","657016","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-9-methyl-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-methoxyphenyl)-16-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione","","CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C(C)(C)C","YJZQCNDBZGZAFQ-UHFFFAOYSA-N","376302",NA,"PDBC31820","657017","Present"
-"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-ethyl-3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","9-Ethyl-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione","","CCC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","LRPUSBKIJJHEIM-UHFFFAOYSA-N","376307",NA,"PDBC31821","657022","Present"
-"Benzo[d][1,3,6]benzotrithiocine 5-oxide","","","","","","","","","","","","","","","","","","","","Benzo[d][1,3,6]benzotrithiocine 5-oxide","","C1SC2=CC=CC=C2S(=O)C3=CC=CC=C3S1","BQQKEJNBCHGZJY-UHFFFAOYSA-N","392632",NA,"PDBC31822","693212","Present"
-"Benzo[d][1,3]dithiol-2-yltriphenylphosphonium tetrafluoroborate","","","","","","","","","","","","","","","","","","","","Benzo[d][1,3]dithiol-2-yltriphenylphosphonium tetrafluoroborate","","","","",NA,"PDBC31823","628133","Present"
-"Benzo[e]pyrido[2,3-b]pyrrolo[3,4-g]indole-1,3(2H,4H)-dione, 5-(1,1-dimethylethyl)-5,6,7,12-tetrahydro-2-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","9-Tert-butyl-4-(4-methoxyphenyl)-4,18,20-triazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7(12),14(19),15,17-hexaene-3,5-dione","","CC(C)(C)C1CCC2=C(C1)C3=C(C4=C2C5=C(N4)N=CC=C5)C(=O)N(C3=O)C6=CC=C(C=C6)OC","FGMRXRNHOFVNTC-UHFFFAOYSA-N","376309",NA,"PDBC31824","657024","Present"
-"Benzo[f][1,2,3]benzodithiazol-1-ium;chloride","","","","","","","","","","","","","","","","","","","","Benzo[f][1,2,3]benzodithiazol-1-ium;chloride","","C1=CC2=CC3=NS[S+]=C3C=C2C=C1.[Cl-]","DDAMVQBOGGLKKM-UHFFFAOYSA-M","359792",NA,"PDBC31825","621355","Present"
-"Benzo[f]quinoline","","","","","","","","","","","","","","","","","","","",".beta.-Naphthoquinoline","","C1=CC=C2C(=C1)C=CC3=C2C=CC=N3","HCAUQPZEWLULFJ-UHFFFAOYSA-N","6796",NA,"PDBC31826","9850","Present"
-"Benzo[g][2]benzopyrano[4, 13-[2-(4-methyl-1-piperidinyl)ethyl]-, monohydrochloride","","","","","","","","","","","","","","","","","","","","Benzo[g][2]benzopyrano[4,3-b]indol-5-one, 13- [2-(4-meth...","","CN1CCN(CC1)CCN2C3=C(C=CC4=CC=CC=C43)C5=C2C6=CC=CC=C6C(=O)O5.Cl","YNLXBYNQESEHPB-UHFFFAOYSA-N","368105",NA,"PDBC31827","638440","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,4-dimethylphenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,4-dimethylphenyl)-3-methyl-","","CC1=CC(=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C)C","CFNSKGMWEDNPHT-UHFFFAOYSA-N","363228",NA,"PDBC31828","627974","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,5-dichlorophenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,5-dichlorophenyl)-3-methyl-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=C(C=CC(=C4)Cl)Cl","JATLMKVSELNNQL-UHFFFAOYSA-N","363231",NA,"PDBC31829","627977","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2-ethylphenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2-ethylphenyl)-3-methyl-","","CCC1=CC=CC=C1N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C","RTMDICMDIJLALY-UHFFFAOYSA-N","363238",NA,"PDBC31830","627984","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,4-difluorophenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,4-difluorophenyl)-3-methyl-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=C(C=C4)F)F","VBFALOULUXMSCF-UHFFFAOYSA-N","363235",NA,"PDBC31831","627981","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,5-dimethylphenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,5-dimethylphenyl)-3-methyl-","","CC1=CC(=CC(=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C)C","CQMRFEMSYCXHHU-UHFFFAOYSA-N","363229",NA,"PDBC31832","627975","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-bromophenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-bromophenyl)-3-methyl-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)Br","ZCPAMGDOBOOZRV-UHFFFAOYSA-N","363236",NA,"PDBC31833","627982","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-chlorophenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-chlorophenyl)-3-methyl-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)Cl","YGSAGYVQVARNMT-UHFFFAOYSA-N","363230",NA,"PDBC31834","627976","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-fluorophenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-fluorophenyl)-3-methyl-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)F","GMSZMCYBBBHTRI-UHFFFAOYSA-N","363233",NA,"PDBC31835","627979","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-methoxyphenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-methoxyphenyl)-3-methyl-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)OC","KETXYHORFAVXFQ-UHFFFAOYSA-N","363241",NA,"PDBC31836","627987","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-bromophenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-bromophenyl)-3-methyl-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)Br","NIHJNBOBPVEDID-UHFFFAOYSA-N","363237",NA,"PDBC31837","627983","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-butylphenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-butylphenyl)-3-methyl-","","CCCCC1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C","JLAJYFGZSQCUQX-UHFFFAOYSA-N","363239",NA,"PDBC31838","627985","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-chlorophenyl)-3,7,8-trimethyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-chlorophenyl)-3,7,8-trimethyl-","","CC1=CC2=C(C=C1C)N(C3=NC(=O)N(C(=O)C3=N2)C)C4=CC=C(C=C4)Cl","DBYQBYKIEWYPPF-UHFFFAOYSA-N","363246",NA,"PDBC31839","627992","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-fluorophenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-fluorophenyl)-3-methyl-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)F","RFTCBTJXJMOHSW-UHFFFAOYSA-N","363234",NA,"PDBC31840","627980","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-hydroxyphenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-hydroxyphenyl)-3-methyl-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)O","MKNALTBDBSYVSP-UHFFFAOYSA-N","363240",NA,"PDBC31841","627986","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=C(C=C4)Cl)C(F)(F)F","OEMJCPVZGMMFRY-UHFFFAOYSA-N","363232",NA,"PDBC31842","627978","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-[4-(methylthio)phenyl]-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-[4-(methylthio)phenyl]-","","CCN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)SC","AKXVVDUUHLCSTO-UHFFFAOYSA-N","363247",NA,"PDBC31843","627993","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-phenyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-phenyl-","","CCN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=CC=C4","FNNWTHVWCABIRR-UHFFFAOYSA-N","363248",NA,"PDBC31844","627994","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(2-methylphenyl)-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(2-methylphenyl)-","","CC1=CC=CC=C1N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C","GTJWDRBWXVWTEL-UHFFFAOYSA-N","363226",NA,"PDBC31845","627972","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(4-methylphenyl)-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(4-methylphenyl)-","","CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C","CMWYEHWVMFIHLR-UHFFFAOYSA-N","363227",NA,"PDBC31846","627973","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-[3-(methylthio)phenyl]-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-[3-(methylthio)phenyl]-","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)SC","DXGJAVBSXROSIS-UHFFFAOYSA-N","363242",NA,"PDBC31847","627988","Present"
-"Benzo[g]pteridine-2,4(3H,10H)-dione, 7-chloro-10-(4-chlorophenyl)-3-methyl-","","","","","","","","","","","","","","","","","","","","Benzo[g]pteridine-2,4(3H,10H)-dione, 7-chloro-10-(4-chlorophenyl)-3-methyl-","","CN1C(=O)C2=NC3=C(C=CC(=C3)Cl)N(C2=NC1=O)C4=CC=C(C=C4)Cl","QEYHOVKABYDDMC-UHFFFAOYSA-N","363244",NA,"PDBC31848","627990","Present"
-"Benzo[g]quinoline-5, 5,10-dihydro-4-[2-(1-piperidinyl)ethenyl]-","","","","","","","","","","","","","","","","","","","","Benzo[g]quinoline-5,10-dione, 5,10-dihydro- 4-[2-(1-pipe...","","C1CCN(CC1)C=CC2=C3C(=NC=C2)C(=O)C4=CC=CC=C4C3=O","ZZOIBZBKTUIRIW-LCYFTJDESA-N","54608738",NA,"PDBC31849","642968","Present"
-"Benzo[g]quinoxalin-2(1h)-one","","","","","","","","","","","","","","","","","","","","Benzo[g]quinoxalin-2(1h)-one","","C1=CC=C2C=C3C(=CC2=C1)NC(=O)C=N3","LYSSXWHDEUZXLJ-UHFFFAOYSA-N","387559",NA,"PDBC31850","681482","Present"
-"Benzo[g]quinoxaline-2, 5,10-dihydro-5,10-dioxo-, diethyl ester","","","","","","","","","","","","","","","","","","","","Benzo[g]quinoxaline-2,3-dicarboxylic acid, 5,10-dihydro-...","","CCOC(=O)C1=NC2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C(=O)OCC","JSQYFPHYSOZLPT-UHFFFAOYSA-N","400766",NA,"PDBC31851","713197","Present"
-"Benzo[kl]xanthene","","","","","","","","","","","","","","","","","","","","Benzo[kl]xanthene (8CI9CI)","","C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)O2","QKOSFCWXOIAFTO-UHFFFAOYSA-N","67456",NA,"PDBC31852","89258","Present"
-"Benzoanthracenone","","","","","","","","","","","","","","","","","","","","benzoanthracenone","","C1=CC=C2C3=C4C(=CC2=C1)C=CC(=O)C4=CC=C3","OVOJKKZRNREKOV-UHFFFAOYSA-N","12300036",NA,"PDBC31853","727350","Present"
-"Benzocyclohept","","","","","","","","","","","","","","","","","","","","Benzocyclohept","","CC(=O)OC1=CC=CC2=C1C3(C2CCCCC3(OC)OC)OC(=O)C","DOWSTJUUWNRJCJ-UHFFFAOYSA-N","375539",NA,"PDBC31854","655318","Present"
-"Benzododecinium chloride","","","","","","","","","","","","","","","","","","","","vantoc cl","","CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]","JBIROUFYLSSYDX-UHFFFAOYSA-M","8753",NA,"PDBC31855","85508","Present"
-"Benzofuran, monohydrochloride","","","","","","","","","","","","","","","","","","","","Benzofuran, 2-(4-chlorophenyl)-5-methoxy- 3-(4-methyl-1-...","","CN1CCN(CC1)C2=C(OC3=C2C=C(C=C3)OC)C4=CC=C(C=C4)Cl.Cl","WEKHTFMDMBQDAV-UHFFFAOYSA-N","21144903",NA,"PDBC31856","377467","Present"
-"Benzofurazan, 4-(4-morpholinyl)-7-nitro-, 3-oxide","","","","","","","","","","","","","","","","","","","","Benzofurazan, 4-(4-morpholinyl)-7-nitro-, 3-oxide","","C1COCCN1C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]","VJBMAFLDXIZVDK-UHFFFAOYSA-N","313562",NA,"PDBC31857","228082","Present"
-"Benzofurazan, 4-[(3-methoxyphenyl)thio]-7-nitro-, 3-oxide","","","","","","","","","","","","","","","","","","","","Benzofurazan, 4-[(3-methoxyphenyl)thio]-7-nitro-, 3-oxide","","COC1=CC(=CC=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]","UTDUSKUUJBCURF-UHFFFAOYSA-N","313591",NA,"PDBC31858","228120","Present"
-"Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide","","","","","","","","","","","","","","","","","","","","wln: t56 bnonj bo fnw i- at6n dntj dr d1","","C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]","HXSYYCOFWSTFAE-UHFFFAOYSA-N","43795",NA,"PDBC31859","228099","Present"
-"Benzoic acid (2-benzylidenecyclohexylidene)amino ester","","","","","","","","","","","","","","","","","","","","NSC627221","","C1CCC(=NOC(=O)C2=CC=CC=C2)C(=CC3=CC=CC=C3)C1","UGXGWNOSUYLGMZ-YDDLXSOJSA-N","6373206",NA,"PDBC31860","627221","Present"
-"Benzoic acid 10-hydroxy-11-oxo-5,5]imidazo[1,2-b]isoqu inolin-7-yl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid 10-hydroxy-11-oxo-5,11-dihydro-benzo[4,5]im...","","C1=CC=C(C=C1)C(=O)OC2=C3C=C4NC5=CC=CC=C5N4C(=O)C3=C(C=C2)O","LDLYUQCKNLCPSZ-UHFFFAOYSA-N","24205252",NA,"PDBC31861","734755","Present"
-"Benzoic acid 4-decylidene-2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid 4-decylidene-2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester","","CCCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)C2=CC=CC=C2","MGLVTIFLCJBETJ-HKWRFOASSA-N","5470625",NA,"PDBC31862","703753","Present"
-"Benzoic acid, 2,2'-iminobis-, bis[[(1E)-(2-hydroxyphenyl)methylene]hydrazide]","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]anilino]benzamide","","C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=CC4=CC=CC=C4O)O","NKSCVBFVBBRUIV-YAGSLNJISA-N","135484736",NA,"PDBC31863","698452","Present"
-"Benzoic acid, 2-((6-methoxy-2-naphthalenyl)carbonyl)-","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-((6-methoxy-2-naphthalenyl)carbonyl)-","","COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O","MPMPJSOCGXBPOL-UHFFFAOYSA-N","156233",NA,"PDBC31864","625599","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","COC(=O)C1=CC=CC=C1C2CN=NC23CC4=CC=CC=C4C3=O","IKXTZOYHFSRVEB-UHFFFAOYSA-N","385690",NA,"PDBC31865","677036","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-4,5-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(6,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=C(C2=C(C=C1)C(=O)C3(C2)C(CN=N3)C4=CC=CC=C4C(=O)OC)C","UACQQBIKFDFHJP-UHFFFAOYSA-N","386178",NA,"PDBC31866","677800","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-4,6-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(5,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=CC(=C2CC3(C(CN=N3)C4=CC=CC=C4C(=O)OC)C(=O)C2=C1)C","UXAZKBHZGZZGML-UHFFFAOYSA-N","386179",NA,"PDBC31867","677801","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-4,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(4,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=C2CC3(C(CN=N3)C4=CC=CC=C4C(=O)OC)C(=O)C2=C(C=C1)C","YHCBIVRCTXSUKC-UHFFFAOYSA-N","386190",NA,"PDBC31868","677812","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-4-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(7-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=C2CC3(C(CN=N3)C4=CC=CC=C4C(=O)OC)C(=O)C2=CC=C1","PVINAUHTMKRBBE-UHFFFAOYSA-N","385681",NA,"PDBC31869","677027","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-5,6-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(5,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=CC2=C(C=C1C)C(=O)C3(C2)C(CN=N3)C4=CC=CC=C4C(=O)OC","KFYPYRIWJJGRNM-UHFFFAOYSA-N","386187",NA,"PDBC31870","677809","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-5,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(4,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=CC(=C2C(=C1)CC3(C2=O)C(CN=N3)C4=CC=CC=C4C(=O)OC)C","ZBQOWEKJGGQRMW-UHFFFAOYSA-N","386181",NA,"PDBC31871","677803","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-5-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(6-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=CC2=C(C=C1)C(=O)C3(C2)C(CN=N3)C4=CC=CC=C4C(=O)OC","CJZCUSBPXSVKOP-UHFFFAOYSA-N","385680",NA,"PDBC31872","677026","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-6,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(4,5-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=C(C2=C(CC3(C2=O)C(CN=N3)C4=CC=CC=C4C(=O)OC)C=C1)C","ZNVDTUDQNDQYGN-UHFFFAOYSA-N","386185",NA,"PDBC31873","677807","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-6-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(5-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=CC2=C(CC3(C2=O)C(CN=N3)C4=CC=CC=C4C(=O)OC)C=C1","GJDGPAMARQTCMR-UHFFFAOYSA-N","385679",NA,"PDBC31874","677025","Present"
-"Benzoic acid, 2-(1,3,4',5'-tetrahydro-7-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(4-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=C2C(=CC=C1)CC3(C2=O)C(CN=N3)C4=CC=CC=C4C(=O)OC","APLOMVCYTLRHSV-UHFFFAOYSA-N","385683",NA,"PDBC31875","677029","Present"
-"Benzoic acid, 2-(2-furanylcarbonyl)-","","","","","","","","","","","","","","","","","","","","2-(2-Furoyl)benzoic acid","","C1=CC=C(C(=C1)C(=O)C2=CC=CO2)C(=O)O","LOQBQVAJOUMEIG-UHFFFAOYSA-N","358265",NA,"PDBC31876","618208","Present"
-"Benzoic acid, 2-[(3,4-dimethoxyphenyl)(cyano) methyl]hyrazide","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-hydroxy-, 2-[(3,4-dimethoxyphenyl)(cyano...","","COC1=C(C=C(C=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)OC","HVUNESCUNADGQY-UHFFFAOYSA-N","375020",NA,"PDBC31877","653846","Present"
-"Benzoic acid, 2-[1,3,4',5'-tetrahydro-1-oxospiro[2H-inden-2,3'-[3H]pyrazol]-4'-yl]-4-methyl-, methyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-[1,3,4',5'-tetrahydro-1-oxospiro[2H-inde...","","CC1=CC2=C(C=C1)C(=O)C3(C2)C(CN=N3)C4=C(C=CC(=C4)C)C(=O)OC","NKARWVSZUPOVCS-UHFFFAOYSA-N","385674",NA,"PDBC31878","677020","Present"
-"Benzoic acid, 2-[5-(2-carboxyethenyl-2-furyl)oxy]-","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-[5-(2-carboxyethenyl-2-furyl)oxy]-","","C1=CC=C(C(=C1)C(=O)O)OC2=CC=C(O2)C=CC(=O)O","NTYKGLOVBHEZJX-FNORWQNLSA-N","5912750",NA,"PDBC31879","646769","Present"
-"Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dihydroxyphenyl)-methyl]amino]-, methyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dihydroxyphenyl)...","","COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2Br)O)O)Cl","KTAXLDMUDOECBY-UHFFFAOYSA-N","389643",NA,"PDBC31880","685985","Present"
-"Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dioxo-1,4-cyclohexadienyl)methyl]amino]-, methyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dioxo-1,4-cycloh...","","COC(=O)C1=C(C=C(C=C1)NCC2=C(C(=O)C=CC2=O)Br)Cl","NCTUOWCNQBZFKG-UHFFFAOYSA-N","389737",NA,"PDBC31881","686334","Present"
-"Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 2,2,2-trifluoroethyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-chloro-5-[[(2-methyl-3-furanyl) thioxome...","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC(F)(F)F","UQOGDBKXGXIKAS-UHFFFAOYSA-N","3000932",NA,"PDBC31882","639475","Present"
-"Benzoic acid, 2-chloro-5-(((3-methyl-2-thienyl)thioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-chloro-5-[[(3-methyl-2-thienyl) thioxome...","","CC1=C(SC=C1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C(C)C)C(C)C","QMPGAEJMXZSJEF-UHFFFAOYSA-N","3000898",NA,"PDBC31883","648360","Present"
-"Benzoic acid, 2-chloro-5-(((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)thioxomethyl)amino)-, 1-methylethyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-chloro-5-[[(2-methyl-5,6-dihydro-1,4- ox...","","CC1=C(SCCO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C","CZDOLCFOGDUISK-UHFFFAOYSA-N","3001024",NA,"PDBC31884","638521","Present"
-"Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-6-(3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=C(C(=CC=C1)C2CN=NC23CC4=CC=CC=C4C3=O)C(=O)OC","QEHJPHRIKSKLAL-UHFFFAOYSA-N","386191",NA,"PDBC31885","677813","Present"
-"Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-4-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-6-(7-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=C2CC3(C(CN=N3)C4=CC=CC(=C4C(=O)OC)C)C(=O)C2=CC=C1","DASKQNHFZMISBD-UHFFFAOYSA-N","385688",NA,"PDBC31886","677034","Present"
-"Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-5,6-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(5,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-6-methylbenzoate","","CC1=C(C(=CC=C1)C2CN=NC23CC4=C(C3=O)C=C(C(=C4)C)C)C(=O)OC","WFCIEHWRWGAYKK-UHFFFAOYSA-N","386182",NA,"PDBC31887","677804","Present"
-"Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-5,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(4,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-6-methylbenzoate","","CC1=C(C(=CC=C1)C2CN=NC23CC4=CC(=CC(=C4C3=O)C)C)C(=O)OC","XRYCDSHAJGVWQP-UHFFFAOYSA-N","386183",NA,"PDBC31888","677805","Present"
-"Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-6,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(4,5-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-6-methylbenzoate","","CC1=C(C(=CC=C1)C2CN=NC23CC4=C(C3=O)C(=C(C=C4)C)C)C(=O)OC","RKEMEWKNLCHNAP-UHFFFAOYSA-N","386177",NA,"PDBC31889","677799","Present"
-"Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-6-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-6-(5-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=CC2=C(CC3(C2=O)C(CN=N3)C4=CC=CC(=C4C(=O)OC)C)C=C1","PAFFCZGLZIWCIM-UHFFFAOYSA-N","386172",NA,"PDBC31890","677794","Present"
-"Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-7-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-6-(4-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=C2C(=CC=C1)CC3(C2=O)C(CN=N3)C4=CC=CC(=C4C(=O)OC)C","PBHZKZJCBJXNHD-UHFFFAOYSA-N","387009",NA,"PDBC31891","680325","Present"
-"Benzoic acid, 3,5-dinitro-4-(1H-purin-6-ylthio)-, octyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 3,5-dinitro-4-(1H-purin-6-ylthio)-, octyl ...","","CCCCCCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]","JWTQVITYOODVFM-UHFFFAOYSA-N","3560228",NA,"PDBC31892","264497","Present"
-"Benzoic acid, 3-methyl-2-(1,3,4',5'-tetrahydro-4,5-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(6,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-3-methylbenzoate","","CC1=C(C(=CC=C1)C(=O)OC)C2CN=NC23CC4=C(C3=O)C=CC(=C4C)C","GXSBZKKCZNVIIN-UHFFFAOYSA-N","386175",NA,"PDBC31893","677797","Present"
-"Benzoic acid, 3-methyl-2-(1,3,4',5'-tetrahydro-5,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(4,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-3-methylbenzoate","","CC1=C(C(=CC=C1)C(=O)OC)C2CN=NC23CC4=CC(=CC(=C4C3=O)C)C","JLDKIRQNTVTZJM-UHFFFAOYSA-N","386176",NA,"PDBC31894","677798","Present"
-"Benzoic acid, 4-[(2-bromo-1-oxopropyl)amino]-2-hydroxy-","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[(2-bromo-1-oxopropyl)amino]-2-hydroxy-","","CC(C(=O)NC1=CC(=C(C=C1)C(=O)O)O)Br","DDOIUCYUNNIGSJ-UHFFFAOYSA-N","309414",NA,"PDBC31895","211685","Present"
-"Benzoic acid, 4-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)azo]-, hydrazide","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)azo]-, hydrazide","","CC1=C(N2C=CC=CC2=N1)N=NC3=CC=C(C=C3)C(=O)NN","DBVOXUIUSFTLGK-UHFFFAOYSA-N","369178",NA,"PDBC31896","640884","Present"
-"Benzoic acid, 4-[4-(4-nitrophenyl)-1H-imidazol-1-yl]-, ethyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[4-(4-nitrophenyl)-1H-imidazol-1-yl]-, e...","","CCOC(=O)C1=CC=C(C=C1)N2C=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]","CVPPZTGNUVRJHE-UHFFFAOYSA-N","355941",NA,"PDBC31897","610745","Present"
-"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, isopropyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, i...","","CC(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","OMVBNGOHWAOEKO-UHFFFAOYSA-N","386093",NA,"PDBC31898","677695","Present"
-"Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]...","","CCOC(=O)C1=CC=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C","GLYHKOMBOQZZTG-UHFFFAOYSA-N","246507",NA,"PDBC31899","59643","Present"
-"Benzoic acid, 4-methyl-2-(1,3,4',5'-tetrahydro-4-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-(7-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=CC(=C(C=C1)C(=O)OC)C2CN=NC23CC4=C(C=CC=C4C3=O)C","QOPOHVVONYFKAE-UHFFFAOYSA-N","385682",NA,"PDBC31900","677028","Present"
-"Benzoic acid, 4-methyl-2-(1,3,4',5'-tetrahydro-5,6-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(5,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-4-methylbenzoate","","CC1=CC(=C(C=C1)C(=O)OC)C2CN=NC23CC4=C(C3=O)C=C(C(=C4)C)C","LPLOCPUBJLVZSY-UHFFFAOYSA-N","386174",NA,"PDBC31901","677796","Present"
-"Benzoic acid, 4-methyl-2-(1,3,4',5'-tetrahydro-7-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-(4-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=CC(=C(C=C1)C(=O)OC)C2CN=NC23CC4=CC=CC(=C4C3=O)C","XSZDKVGNKMSXCX-UHFFFAOYSA-N","385686",NA,"PDBC31902","677032","Present"
-"Benzoic acid, 5-methyl-2-(1,3,4',5'-tetrahydro-4,6-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-(5,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-5-methylbenzoate","","CC1=CC(=C(C=C1)C2CN=NC23CC4=C(C=C(C=C4C3=O)C)C)C(=O)OC","KLKQGXZLJBEEQM-UHFFFAOYSA-N","386184",NA,"PDBC31903","677806","Present"
-"Benzoic acid, 5-methyl-2-(1,3,4',5'-tetrahydro-6-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 5-methyl-2-(5-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=CC2=C(CC3(C2=O)C(CN=N3)C4=C(C=C(C=C4)C)C(=O)OC)C=C1","MHBBUIFYOBDBRL-UHFFFAOYSA-N","386186",NA,"PDBC31904","677808","Present"
-"Benzoic acid, 5-methyl-2-(1,3,4',5'-tetrahydro-7-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 5-methyl-2-(4-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=CC(=C(C=C1)C2CN=NC23CC4=CC=CC(=C4C3=O)C)C(=O)OC","DLNRSIJBVOIMDP-UHFFFAOYSA-N","386173",NA,"PDBC31905","677795","Present"
-"Benzoic acid, [(2-hydroxy-3-methoxyphenyl)methylene]hydrazide","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-(1-pyrrolidinyl)-, [(2-hydroxy-3-methoxy...","","COC1=CC=CC(=C1O)C=NNC(=O)C2=CC=CC=C2N3CCCC3","MXGBAOGKXDTMLE-DEDYPNTBSA-N","135502114",NA,"PDBC31906","268695","Present"
-"Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran-4-yl)methoxy]-, methyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran- 4-yl)metho...","","CC1=CC2=C(C=C1)OC(=O)C=C2COC3=CC=CC=C3C(=O)OC","AEWJHLXXHVQICB-UHFFFAOYSA-N","360923",NA,"PDBC31907","623637","Present"
-"Benzoic acid, [1-(2-hydroxyphenyl)ethylidene]hydrazide","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-amino-, [1-(2-hydroxyphenyl)ethylidene]h...","","CC(=NNC(=O)C1=CC=CC=C1N)C2=CC=CC=C2O","ICFAPGRDMJZKNX-LICLKQGHSA-N","135493674",NA,"PDBC31908","338537","Present"
-"Benzoic acid, p-(3-methyl-3-nitrosoureido)-","","","","","","","","","","","","","","","","","","","","sri 1690","","CN(C(=O)NC1=CC=C(C=C1)C(=O)O)N=O","LUAOYJDDQIIDIN-UHFFFAOYSA-N","101388",NA,"PDBC31909","409719","Present"
-"Benzoic acid, silver(1+) salt","","","","","","","","","","","","","","","","","","","","Silver benzoate","","C1=CC=C(C=C1)C(=O)O.[Ag]","GQCYXEOBZQXHPO-UHFFFAOYSA-N","6712949",NA,"PDBC31910","97388","Present"
-"Benzoic acid,2-[[[(4S)-4-carboxy-4-[[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]amino]butyl]amino]carbonyl]-","","","","","","","","","","","","","","","","","","","","An Antifol///L-Ornithine, N.alpha.-[4-[[(2,4-diamino-6-pteridinyl)met...","","C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O","NYQPLPNEESYGNO-UHFFFAOYSA-N","360682",NA,"PDBC31911","623017///633713","Present"
-"Benzoic acid,3'-methylenebis[6-amino-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Benzoic acid, 3,3'-methylenebis[6-amino-, dihydrochlorid...","","C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)C(=O)O)C(=O)O)N.Cl","LPRYRBABZSWODE-UHFFFAOYSA-N","54598894",NA,"PDBC31912","37136","Present"
-"Benzoic acid,3-dihydro-4-methyl-1-oxo-1H-inden-2-yl)methyl]-4-methyl-, methyl ester","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-[(2,3-dihydro-4-methyl-1-oxo- 1H-inden-2...","","CC1=CC(=C(C=C1)C(=O)OC)CC2CC3=C(C=CC=C3C2=O)C","FYFXJQOEJJOMJI-UHFFFAOYSA-N","386193",NA,"PDBC31913","677815","Present"
-"Benzoic acid,4-diaminopteridinyl)-6-methyl] (formyl)amino]-","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[(2,4-diaminopteridinyl)-6-methyl] (for...","","C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C=O","SRDZMAPGWAOULQ-UHFFFAOYSA-N","393100",NA,"PDBC31914","694485","Present"
-"Benzoic acid,4-dichloro-, [1-[4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide, monohydrochloride, (2S-cis)-","","","","","","","","","","","","","","","","","","","","Benzoic acid, 3,4-dichloro-, [1-[4-[(3-amino-2,3,6-tride...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC(=C(C=C6)Cl)Cl)C)O)N)O.Cl","OEXFGUZYSWDUME-IKIAVLLTSA-N","54604497",NA,"PDBC31915","221266","Present"
-"Benzoic acid;2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol","","","","","","","","","","","","","","","","","","","","Benzoic acid;2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol","","COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.C1=CC=C(C=C1)C(=O)O","PNIGMAGNDWFUKO-UHFFFAOYSA-O","419438",NA,"PDBC31916","114885","Present"
-"Benzoic acid;4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol","","","","","","","","","","","","","","","","","","","","1,2-Benzenediol, 4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-...","","CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O.C1=CC=C(C=C1)C(=O)O","WJXXXRPUINHURH-UHFFFAOYSA-N","317587",NA,"PDBC31917","250293","Present"
-"Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-","","","","","","","","","","","","","","","","","","","","Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-///NSC636934","","C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C#N","CAHMJFODGBXCBM-ZHACJKMWSA-N","5367161",NA,"PDBC31918","179365///636934","Present"
-"Benzonitrile, 4-[2-(2-benzoxazolyl)-2,2-difluoro-1-hydroxyethyl]-","","","","","","","","","","","","","","","","","","","","4-[2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-hydroxyethyl]benzonitrile","","C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=C(C=C3)C#N)O)(F)F","ONJNAACJTUUFBX-UHFFFAOYSA-N","393818",NA,"PDBC31919","696597","Present"
-"Benzophenone, 4,4'-bis(dimethylamino)-, oxime","","","","","","","","","","","","","","","","","","","","wln: 1n1&r dyunqr dn1&1","","CN(C)C1=CC=C(C=C1)C(=NO)C2=CC=C(C=C2)N(C)C","RHVSVZXFVMCNAT-UHFFFAOYSA-N","15581",NA,"PDBC31920","43959","Present"
-"Benzothein[2,6,7,8-tetrahy dro","","","","","","","","","","","","","","","","","","","","Benzothein[2,3-d]pyrimidin-4-amino-2-hydroxy-5,6,7,8-tet...","","C1CCC2=C(C1)C3=C(NC(=O)N=C3S2)N","VNCNQDPRMVZSCZ-UHFFFAOYSA-N","405800",NA,"PDBC31921","723452","Present"
-"Benzothiazole,Methiodide","","","","","","","","","","","","","","","","","","","","Benzothiazole,2-(4-N-N-Dimethylamino-3-methoxystyryl),Me...","","C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC(=C(C=C3)N(C)C)OC.[I-]","MBLDIFZSKMTADA-UHFFFAOYSA-M","6518097",NA,"PDBC31922","662251","Present"
-"Benzothiazolium, 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-(4-iodobutyl)-, iodide","","","","","","","","","","","","","","","","","","","","Benzothiazole, 2-(3-4-Dimethoxy styryl),1-4-Iodobutyl io...","","COC1=C(C=C(C=C1)C=CC2=[N+](C3=CC=CC=C3S2)CCCCI)OC.[I-]","FUDHPPMERXNXNU-VHPXAQPISA-M","6474473",NA,"PDBC31923","662250","Present"
-"Benzothiazolium, 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-, iodide","","","","","","","","","","","","","","","","","","","","NSC10526///2-(4-N-N-Dimethylaminostyryl)-3-methyl Iodide","","C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[I-]","ISQZSFZTDBJRBP-UHFFFAOYSA-M","6474466",NA,"PDBC31924","10526///662424","Present"
-"Benzothiazolium,3-butadienyl]-, iodide","","","","","","","","","","","","","","","","","","","","Benzothiazolium 3-methyl-2-[4-(1-piperidinyl)-1,3-butadi...","","C[N+]1=C(SC2=CC=CC=C21)C=CC=CN3CCCCC3.[I-]","KPSGGQGNEWRSFK-UHFFFAOYSA-M","135539594",NA,"PDBC31925","179220","Present"
-"Benzothiazolium-cis[tetrachlorobisbenzothiazoleruthenate...","","","","","","","","","","","","","","","","","","","","Benzothiazolium-cis[tetrachlorobisbenzothiazoleruthenate...","","","","",NA,"PDBC31926","630140","Present"
-"Benzothiopyranone deriv.","","","","","","","","","","","","","","","","","","","","Benzothiopyranone deriv.","","C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC4=NC(=O)NC(=O)N43","LJFSTDCTAGRPBJ-UHFFFAOYSA-N","385058",NA,"PDBC31927","675987","Present"
-"Benzoxazole, 2-(4-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","R 673","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]","KLOXEYMSPNBMHD-UHFFFAOYSA-N","70047",NA,"PDBC31928","702048","Present"
-"Benzoxazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-","","","","","","","","","","","","","","","","","","","","Benzoxazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-","","CN1C=NC(=C1SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]","JBINTOAIXBDCLY-UHFFFAOYSA-N","364608",NA,"PDBC31929","631136","Present"
-"Benzoxazole, 5-chloro-2-(2-phenylethyl)-","","","","","","","","","","","","","","","","","","","","Benzoxazole, 5-chloro-2-(2-phenylethyl)-","","C1=CC=C(C=C1)CCC2=NC3=C(O2)C=CC(=C3)Cl","AVBIFDFYSNAAHE-UHFFFAOYSA-N","401573",NA,"PDBC31930","715268","Present"
-"Benzoxazole, 5-chloro-6-nitro-2-(phenoxymethyl)-","","","","","","","","","","","","","","","","","","","","Benzoxazole, 5-chloro-6-nitro-2-(phenoxymethyl)-","","C1=CC=C(C=C1)OCC2=NC3=CC(=C(C=C3O2)[N+](=O)[O-])Cl","CUDOZWOWVPDPCV-UHFFFAOYSA-N","401589",NA,"PDBC31931","715285","Present"
-"Benzoxazole, 5-chloro-6-nitro-2-[(phenylthio)methyl]-","","","","","","","","","","","","","","","","","","","","Benzoxazole, 5-chloro-6-nitro-2-[(phenylthio)methyl]-","","C1=CC=C(C=C1)SCC2=NC3=CC(=C(C=C3O2)[N+](=O)[O-])Cl","SRECUILWWKYLJJ-UHFFFAOYSA-N","401572",NA,"PDBC31932","715267","Present"
-"Benzoxazole,3-benzodioxol-5-yl)ethenyl]-, (Z)-","","","","","","","","","","","","","","","","","","","","Benzoxazole, 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-, (Z)-","","C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4O3","DPSXZXQPFAYPNZ-VURMDHGXSA-N","5351255",NA,"PDBC31933","176655","Present"
-"Benzoyl leuco methylene blue","","","","","","","","","","","","","","","","","","","","benzoylleukomethylene blue","","CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4","ZKURGBYDCVNWKH-UHFFFAOYSA-N","94975",NA,"PDBC31934","11881","Present"
-"Benzoyl-N-methyl amino anthraquinone","","","","","","","","","","","","","","","","","","","","Benzoyl-N-methyl amino anthraquinone","","CN(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4","LNOQVWKCKYDUIJ-UHFFFAOYSA-N","374712",NA,"PDBC31935","652898","Present"
-"Benzoyloxy-[[3-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury","","","","","","","","","","","","","","","","","","","","Benzoyloxy-[[3-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury","","C1COC(C(O1)C[Hg]OC(=O)C2=CC=CC=C2)C[Hg]OC(=O)C3=CC=CC=C3","JELHOUIGSAGPOA-UHFFFAOYSA-L","16683643",NA,"PDBC31936","29443","Present"
-"Benzoyloxy-[[6-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury","","","","","","","","","","","","","","","","","","","","Benzoyloxy-[[6-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury","","C1C(OC(CO1)C[Hg]OC(=O)C2=CC=CC=C2)C[Hg]OC(=O)C3=CC=CC=C3","DIZHAVSYIMNDTL-UHFFFAOYSA-L","16683646",NA,"PDBC31937","30915","Present"
-"Benzoylphenylurea","","","","","","","","","","","","","","","","","","","","Benzoylphenylurea","","CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2N(C)C)OC3=NC=C(C=N3)Br","JNGQUJZDVFZPEN-UHFFFAOYSA-N","368697",NA,"PDBC31938","639829","Present"
-"Benzpiperylone","","","","","","","","","","","","","","","","","","","","ppbp","","CN1CCC(CC1)N2C(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4","KMGARVOVYXNAOF-UHFFFAOYSA-N","98514",NA,"PDBC31939","73254","Present"
-"Benzthiazole-urea, 40","","","","","","","","","","","","","","","","","","","","GW693917A","","COC(=O)NC1=NC2=C(S1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F","CLOKCIDZTVIDMJ-UHFFFAOYSA-N","10279624",NA,"PDBC31940","756317","Present"
-"Benztropine mesylate","","","","","","","","","","","","","","","","","","","","Benztropine mesylate","","CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O","CPFJLLXFNPCTDW-UHFFFAOYSA-N","238053",NA,"PDBC31941","42199","Present"
-"Benzyl ((1-((tert-butoxycarbonyl)amino)-2-phenylethyl)amino)carbonylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl ((1-((tert-butoxycarbonyl)amino)-2-phenylethyl)amino)carbonylcarbamate","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)NC(=O)NC(=O)OCC2=CC=CC=C2","BMVCOWYLCFKYLO-UHFFFAOYSA-N","381459",NA,"PDBC31942","668046","Present"
-"Benzyl ((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)amino)acetate","","","","","","","","","","","","","","","","","","","","Benzyl ((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)amino)acetate","","CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C","OPIFEPSSCWNBEK-UHFFFAOYSA-N","381414",NA,"PDBC31943","668002","Present"
-"Benzyl (2R)-1-[3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl (2R)-1-[3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin","","CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C","YPGFSHLFWFQPBF-UQEYLCTJSA-N","54608164",NA,"PDBC31944","653627","Present"
-"Benzyl (2R)-2-tert-butyl-4-oxoimidazolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","NSC674223","","CC(C)(C)C1NC(=O)CN1C(=O)OCC2=CC=CC=C2","HWHOGNGWQGUQPS-CYBMUJFWSA-N","384442",NA,"PDBC31945","674223","Present"
-"Benzyl (2R)-3-acetyloxy-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]butanoate","","","","","","","","","","","","","","","","","","","","Benzyl (2R)-3-acetyloxy-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]butanoate","","CC(C)CC(C(=O)NC(C(C)OC(=O)C)C(=O)OCC1=CC=CC=C1)N(C)C(=O)C2CCCN2C(=O)C(C)O","OCOCOWRNJWTDAE-VGZPHMFRSA-N","380328",NA,"PDBC31946","665812","Present"
-"Benzyl (2S)-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl (2S)-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrro","","CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C","YPGFSHLFWFQPBF-JPIUROGKSA-N","54604791",NA,"PDBC31947","653626","Present"
-"Benzyl (2S)-2-[[(2R)-2-[[(1S)-1-[(4-tert-butoxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]propanoyl]amino]-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Benzyl (2S)-2-[[(2R)-2-[[(2S)-1-methoxy-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]propanoyl]amino]-3-phenylpropanoate","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(CC3=CC=C(C=C3)OC(C)(C)C)C(=O)OC","HIWUKJKPRAXVBM-MGONOCMRSA-N","383717",NA,"PDBC31948","672142","Present"
-"Benzyl (2S)-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-3-[3-(4-methoxyphenyl)propanoyloxy]butanoate","","","","","","","","","","","","","","","","","","","","Benzyl (2S)-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-3-[3-(4-methoxyphenyl)propanoyloxy]butanoate","","CC(C)CC(C(=O)NC(C(C)OC(=O)CCC1=CC=C(C=C1)OC)C(=O)OCC2=CC=CC=C2)N(C)C(=O)C3CCCN3C(=O)C(C)O","KHFJERKPEDPAAW-HRQVLUSOSA-N","380327",NA,"PDBC31949","665811","Present"
-"Benzyl (2S)-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Benzyl (2S)-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C","NBPDCCDFSFTGBG-AFFBGLGGSA-N","6712043",NA,"PDBC31950","653624","Present"
-"Benzyl (2S)-2-tert-butyl-4-oxoimidazolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","NSC674224","","CC(C)(C)C1NC(=O)CN1C(=O)OCC2=CC=CC=C2","HWHOGNGWQGUQPS-ZDUSSCGKSA-N","384443",NA,"PDBC31951","674224","Present"
-"Benzyl (3-(2-(4-(((6-(((4-(2-(5-((((benzyloxy)carbonyl)amino)carbonyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethyl)-1-piperazinyl)carbonyl)amino)hexyl)amino)carbonyl)-1-piperazinyl)ethyl)-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinyl)carbonylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-[2-[4-[6-[[4-[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","C1CN(CCN1CCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC3=CC=CC=C3)C(=O)NCCCCCCNC(=O)N4CCN(CC4)CCN5C=C(C(=O)NC5=O)C(=O)NC(=O)OCC6=CC=CC=C6","WPLFVCNOPSCVDA-UHFFFAOYSA-N","361685",NA,"PDBC31952","624904","Present"
-"Benzyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate","","CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2C(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5)OC","RRKRJFDFMPHWGH-DXJNIWACSA-N","5387230",NA,"PDBC31953","622072","Present"
-"Benzyl (4R)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Benzyl (4R)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate","","CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2","AKEVYRPJLADBDC-HHHXNRCGSA-N","367890",NA,"PDBC31954","638067","Present"
-"Benzyl (4S)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Benzyl (4S)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate","","CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2","AKEVYRPJLADBDC-MHZLTWQESA-N","367891",NA,"PDBC31955","638068","Present"
-"Benzyl (E)-3-(benzyloxycarbonylamino)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Benzyl (E)-3-(benzyloxycarbonylamino)prop-2-enoate","","C1=CC=C(C=C1)COC(=O)C=CNC(=O)OCC2=CC=CC=C2","HDUHFEQMNKWXKK-VAWYXSNFSA-N","5468300",NA,"PDBC31956","668056","Present"
-"Benzyl (diphenylphosphoryl)methylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl (diphenylphosphoryl)methylcarbamate","","C1=CC=C(C=C1)COC(=O)NCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","OSEFGVZNAGCXPR-UHFFFAOYSA-N","382166",NA,"PDBC31957","669624","Present"
-"Benzyl 1,4,7-triazonane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 1,4,7-triazonane-1-carboxylate","","C1CNCCN(CCN1)C(=O)OCC2=CC=CC=C2","ALDGMKCIQIASGB-UHFFFAOYSA-N","387348",NA,"PDBC31958","681102","Present"
-"Benzyl 1-((((methoxycarbonyl)amino)carbonyl)amino)-2-phenylethylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl 1-((((methoxycarbonyl)amino)carbonyl)amino)-2-phenylethylcarbamate","","COC(=O)NC(=O)NC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","ODHFFXDSSPLSPN-UHFFFAOYSA-N","381631",NA,"PDBC31959","668453","Present"
-"Benzyl 1-(2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 1-(2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinecarboxylate","","CC(C)C(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","AXXCQAWGCJGDKN-UHFFFAOYSA-N","381421",NA,"PDBC31960","668009","Present"
-"Benzyl 1-(2-(acetylamino)-3-methylbutanoyl)-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 1-(2-(acetylamino)-3-methylbutanoyl)-2-pyrrolidinecarboxylate","","CC(C)C(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)NC(=O)C","HPCAUARJFQDLKR-UHFFFAOYSA-N","381420",NA,"PDBC31961","668008","Present"
-"Benzyl 1-(3-chloro-4-fluoroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl 1-(3-chloro-4-fluoroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","C1=CC=C(C=C1)COC(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=CC(=C(C=C2)F)Cl","OOEABJDRXFVFAF-UHFFFAOYSA-N","383590",NA,"PDBC31962","672008","Present"
-"Benzyl 1-(4-(5-(2-(((benzyloxy)carbonyl)amino)-3-hydroxypropyl)-2-methoxyphenoxy)benzyl)-2-hydroxyethylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-hydroxy-3-[4-[5-[3-hydroxy-2-(phenylmethoxycarbonylamino)propyl]-2-methoxyphenoxy]phenyl]propan-2-yl]carbamate","","COC1=C(C=C(C=C1)CC(CO)NC(=O)OCC2=CC=CC=C2)OC3=CC=C(C=C3)CC(CO)NC(=O)OCC4=CC=CC=C4","FMLUCLZWFAAGLK-UHFFFAOYSA-N","392691",NA,"PDBC31963","693409","Present"
-"Benzyl 1-(4-(benzyloxy)benzyl)-2-((6,9-dibenzyl-3-isobutyl-2,5,8,11-tetraoxo-1,4,7,10-tetraazacyclotetradecan-12-yl)amino)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-[[6,9-dibenzyl-3-(2-methylpropyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate","","CC(C)CC1C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6","DSJIJQWNQZFVBL-UHFFFAOYSA-N","495914",NA,"PDBC31964","672672","Present"
-"Benzyl 1-(benzenesulfonyl)-4-[(E)-2-dimethoxyphosphorylvinyl]pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 1-(benzenesulfonyl)-4-[(E)-2-dimethoxyphosphorylvinyl]pyrrole-2-carboxylate","","COP(=O)(C=CC1=CN(C(=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC","CPEWHUZWBUCGMW-BUHFOSPRSA-N","5468940",NA,"PDBC31965","679533","Present"
-"Benzyl 1-(benzenesulfonyl)benzimidazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 1-(benzenesulfonyl)benzimidazole-2-carboxylate","","C1=CC=C(C=C1)COC(=O)C2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4","QMZIJOGWTWJYQG-UHFFFAOYSA-N","396970",NA,"PDBC31966","704207","Present"
-"Benzyl 1-(benzyloxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl 1-(benzyloxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","C1=CC=C(C=C1)COC(=O)NC(C(F)(F)F)(C(F)(F)F)OCC2=CC=CC=C2","CAJIYBQPTQEHJJ-UHFFFAOYSA-N","383591",NA,"PDBC31967","672009","Present"
-"Benzyl 1-(phenylmethoxycarbonylamino)pent-4-en-2-yl carbonate","","","","","","","","","","","","","","","","","","","","Benzyl 1-({[(benzyloxy)carbonyl]amino}methyl)but-3-en-1-yl carbonate","","C=CCC(CNC(=O)OCC1=CC=CC=C1)OC(=O)OCC2=CC=CC=C2","QVNKJQCFLRMXGV-UHFFFAOYSA-N","401741",NA,"PDBC31968","715471","Present"
-"Benzyl 1-[3,5-bis(1-benzyloxycarbonylcyclopentyl)-1,3,5-triazinan-1-yl]cyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 1-[3,5-bis(1-benzyloxycarbonylcyclopentyl)-1,3,5-triazinan-1-yl]cyclopentanecarboxylate","","C1CCC(C1)(C(=O)OCC2=CC=CC=C2)N3CN(CN(C3)C4(CCCC4)C(=O)OCC5=CC=CC=C5)C6(CCCC6)C(=O)OCC7=CC=CC=C7","ZKHONARRQFFMHE-UHFFFAOYSA-N","378560",NA,"PDBC31969","661197","Present"
-"Benzyl 1-aminocyclopentanecarboxylate 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","Cyclopentanecarboxylic acid, 1-amino-, benzyl ester, p-t...","","CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(C1)(C(=O)OCC2=CC=CC=C2)N","JSLBQWTZDSOEJN-UHFFFAOYSA-N","254983",NA,"PDBC31970","80126","Present"
-"Benzyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Z28073393","","CN(C(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC","VAZMRCRWGLSXOE-UHFFFAOYSA-N","375611",NA,"PDBC31971","655433","Present"
-"Benzyl 10-(benzenesulfonyl)-1,3,4,5-tetrahydroazepino[3,4-b]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 10-(benzenesulfonyl)-1,3,4,5-tetrahydroazepino[3,4-b]indole-2-carboxylate","","C1CC2=C(CN(C1)C(=O)OCC3=CC=CC=C3)N(C4=CC=CC=C24)S(=O)(=O)C5=CC=CC=C5","ODYWQXOKFDDQKG-UHFFFAOYSA-N","398037",NA,"PDBC31972","707110","Present"
-"Benzyl 12-((methylamino)carbonyl)-2,6-dioxo-1,7-diazacyclododecan-3-ylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl 12-((methylamino)carbonyl)-2,6-dioxo-1,7-diazacyclododecan-3-ylcarbamate","","CNC(=O)C1CCCCNC(=O)CCC(C(=O)N1)NC(=O)OCC2=CC=CC=C2","XLPRJAIVGQZMKF-UHFFFAOYSA-N","382354",NA,"PDBC31973","669824","Present"
-"Benzyl 2,2-dimethyl-5-[2-(p-tolylsulfonyloxy)ethyl]oxazolidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 2,2-dimethyl-5-[2-(p-tolylsulfonyloxy)ethyl]oxazolidine-3-carboxylate","","CC1=CC=C(C=C1)S(=O)(=O)OCCC2CN(C(O2)(C)C)C(=O)OCC3=CC=CC=C3","DLKXMLAAIHDLTB-UHFFFAOYSA-N","390241",NA,"PDBC31974","687533","Present"
-"Benzyl 2,6-dimethoxybenzoate","","","","","","","","","","","","","","","","","","","","Benzyl 2,6-methoxybenzoate","","COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC=CC=C2","PKIYLOACOOWBCU-UHFFFAOYSA-N","370912",NA,"PDBC31975","644650","Present"
-"Benzyl 2-((((tert-butoxycarbonyl)amino)acetyl)amino)-3-methylbutanoate","","","","","","","","","","","","","","","","","","","","Benzyl 2-((((tert-butoxycarbonyl)amino)acetyl)amino)-3-methylbutanoate","","CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C","RVGUTUVGUGJBBY-UHFFFAOYSA-N","381415",NA,"PDBC31976","668003","Present"
-"Benzyl 2-(((1-((2-((tert-butoxycarbonyl)amino)-3-phenylpropanoyl)(methyl)amino)cyclopentyl)carbonyl)amino)-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Benzyl 2-[[1-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]cyclopentanecarbonyl]amino]-3-phenylpropanoate","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C2(CCCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","FHYUDIJFVHEPML-UHFFFAOYSA-N","383841",NA,"PDBC31977","672457","Present"
-"Benzyl 2-(((1-(1H-imidazol-4-ylmethyl)-2-((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)-2-oxoethyl)amino)carbonyl)-5-oxo-1-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 2-[[3-(1H-imidazol-5-yl)-1-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate","","COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CN=CN3)NC(=O)C4CCC(=O)N4C(=O)OCC5=CC=CC=C5","WVIROHQCACRCMC-UHFFFAOYSA-N","381719",NA,"PDBC31978","668579","Present"
-"Benzyl 2-(((2-(dimethylamino)ethyl)(methyl)amino)carbonyl)-1-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 2-(((2-(dimethylamino)ethyl)(methyl)amino)carbonyl)-1-pyrrolidinecarboxylate","","CN(C)CCN(C)C(=O)C1CCCN1C(=O)OCC2=CC=CC=C2","XKWKOEZNHAXFIU-UHFFFAOYSA-N","374649",NA,"PDBC31979","652684","Present"
-"Benzyl 2-(((2-amino-2-oxoethyl)amino)carbonyl)-4-hydroxy-1-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 2-(((2-amino-2-oxoethyl)amino)carbonyl)-4-hydroxy-1-pyrrolidinecarboxylate","","C1C(CN(C1C(=O)NCC(=O)N)C(=O)OCC2=CC=CC=C2)O","GYJFODQOAROVCD-UHFFFAOYSA-N","380386",NA,"PDBC31980","665903","Present"
-"Benzyl 2-(((benzyloxy)carbonyl)amino)-4-((methoxysulfonyl)oxy)butanoate","","","","","","","","","","","","","","","","","","","","Benzyl 2-(((benzyloxy)carbonyl)amino)-4-((methoxysulfonyl)oxy)butanoate","","COS(=O)(=O)OCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","BGOMXJFOPCGPMZ-UHFFFAOYSA-N","369331",NA,"PDBC31981","641085","Present"
-"Benzyl 2-(((benzyloxy)carbonyl)amino)-5-oxo-1-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 2-(((benzyloxy)carbonyl)amino)-5-oxo-1-pyrrolidinecarboxylate","","C1CC(=O)N(C1NC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","HEZYDORZZQHDTJ-UHFFFAOYSA-N","381440",NA,"PDBC31982","668028","Present"
-"Benzyl 2-((2,5-dibenzyl-13-isobutyl-4,7,11,14-tetraoxo-1,3,6,12-tetraazacyclotetradecan-8-yl)amino)-1-(4-hydroxybenzyl)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-[[2,5-dibenzyl-13-(2-methylpropyl)-4,7,11,14-tetraoxo-1,3,6,12-tetrazacyclotetradec-8-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate","","CC(C)CC1C(=O)NC(NC(=O)C(NC(=O)C(CCC(=O)N1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5","PZWXDQGRHBKQCT-UHFFFAOYSA-N","495902",NA,"PDBC31983","672429","Present"
-"Benzyl 2-((4-(((1-(aminocarbonyl)-2-(benzyloxy)propyl)amino)carbonyl)-16-benzyl-10-(4-(((benzyloxy)carbonyl)amino)butyl)-7-(1-(benzyloxy)ethyl)-13-((1-formyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-benzyl-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-[[4-[(1-amino-1-oxo-3-phenylmethoxybutan-2-yl)carbamoyl]-16-benzyl-13-[(1-formylindol-3-yl)methyl]-6,9,12,15,18-pentaoxo-10-[4-(phenylmethoxycarbonylamino)butyl]-7-(1-phenylmethoxyethyl)-1","","CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCNC(=O)OCC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)C=O)CC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)C(=O)NC(C(C)OCC8=CC=CC=C8)C(=O)N)OCC9=CC=CC=C9","BLKXLTXEQJHNQN-UHFFFAOYSA-N","16129804",NA,"PDBC31984","672464","Present"
-"Benzyl 2-(2,4-dichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-3-methoxy-5-methylbenzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-(2,4-dichloro-3,6-dioxo-1,4-cyclohexadie...","","CC1=CC(=C(C(=C1)OC)C2=C(C(=O)C(=CC2=O)Cl)Cl)C(=O)OCC3=CC=CC=C3","UKFURPNHXZCONV-UHFFFAOYSA-N","371957",NA,"PDBC31985","646768","Present"
-"Benzyl 2-(2-furyl)-2-(2-oxo-4,5-diphenyl-oxazolidin-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","2-Furanacetic acid, .alpha.-(4,5-diphenyl-2-oxo- 3-oxazo...","","CC(C1=CC=CO1)(C(=O)OCC2=CC=CC=C2)N3C(C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5","MMAQOLXIJOLRGN-UHFFFAOYSA-N","387338",NA,"PDBC31986","681082","Present"
-"Benzyl 2-(4,4-dimethyl-5-oxo-4,5-dihydro-1,3-oxazol-2-yl)-1-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 2-(4,4-dimethyl-5-oxo-4,5-dihydro-1,3-oxazol-2-yl)-1-pyrrolidinecarboxylate","","CC1(C(=O)OC(=N1)C2CCCN2C(=O)OCC3=CC=CC=C3)C","POPXRNKLFMNRPF-UHFFFAOYSA-N","380173",NA,"PDBC31987","665619","Present"
-"Benzyl 2-(benzyloxycarbonylamino)-6-(methylcarbamoylamino)hexanoate","","","","","","","","","","","","","","","","","","","","NSC634762","","CNC(=O)NCCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","IGLFPEGNMYCAPK-UHFFFAOYSA-N","366393",NA,"PDBC31988","634762","Present"
-"Benzyl 2-(benzyloxycarbonylamino)-6-(prop-2-ynylcarbamoylamino)hexanoate","","","","","","","","","","","","","","","","","","","","NSC634766","","C#CCNC(=O)NCCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","NIPLJZQDWNZBAK-UHFFFAOYSA-N","366397",NA,"PDBC31989","634766","Present"
-"Benzyl 2-(dibenzylamino)-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Benzyl 2-(dibenzylamino)-3-phenylpropanoate","","C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4","XOAGXYJGAZOTAA-UHFFFAOYSA-N","375616",NA,"PDBC31990","655438","Present"
-"Benzyl 2-(dibenzylamino)propanoate","","","","","","","","","","","","","","","","","","","","Benzyl 2-(dibenzylamino)propanoate","","CC(C(=O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3","MNOBWYXQIILDKX-UHFFFAOYSA-N","375615",NA,"PDBC31991","655437","Present"
-"Benzyl 2-[1-(2-pyridinyl)ethylidene]hydrazinecarbodithioate","","","","","","","","","","","","","","","","","","","","Hydrazinecarbodithioic acid, [1-(2-pyridinyl)ethylidene]...","","CC(=NNC(=S)SCC1=CC=CC=C1)C2=CC=CC=N2","GAPPGYVPJUGIHP-SFQUDFHCSA-N","5955229",NA,"PDBC31992","295641","Present"
-"Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetate","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CC=CC=C2","XOKJQPSAIVTLPX-UHFFFAOYSA-N","382188",NA,"PDBC31993","669647","Present"
-"Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-[4-(6-oxoheptanoylamino)phenyl]propanoyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-[4-(6-oxoheptanoylamino)phenyl]propanoyl]amino]acetate","","CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","IFMQUVIQCQQGNB-UHFFFAOYSA-N","382246",NA,"PDBC31994","669701","Present"
-"Benzyl 2-[[2-[2-(hydrazinecarbonyl)pyrrolidin-1-yl]-2-oxo-1-[[1-(p-tolylsulfonyl)imidazol-4-yl]methyl]ethyl]carbamoyl]-5-oxo-pyrrolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 2-[[1-[2-(hydrazinecarbonyl)pyrrolidin-1-yl]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)N3CCCC3C(=O)NN)NC(=O)C4CCC(=O)N4C(=O)OCC5=CC=CC=C5","XOSWSIQCKFGJCJ-UHFFFAOYSA-N","381638",NA,"PDBC31995","668460","Present"
-"Benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoate","","","","","","","","","","","","","","","","","","","","NSC655092///NSC655097","","CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","GVJPJTSQBZTISS-UHFFFAOYSA-N","375406",NA,"PDBC31996","655092///655097","Present"
-"Benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-methyl-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoate","","CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C","MOKNECDFMWANRX-UHFFFAOYSA-N","386866",NA,"PDBC31997","679680","Present"
-"Benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Benzyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetate","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3","JPDGNINPUJKJHT-UHFFFAOYSA-N","382709",NA,"PDBC31998","670358","Present"
-"Benzyl 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoate","","","","","","","","","","","","","","","","","","","","Benzyl 3-methyl-2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoate","","CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","BEYZZJDYUHCXFJ-UHFFFAOYSA-N","375408",NA,"PDBC31999","655094","Present"
-"Benzyl 2-[[2-[[2-[[2-[(2-acetamido-5-acetoxy-pentanoyl)amino]-5-acetoxy-pentanoyl]amino]-5-acetoxy-pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Benzyl 2-[[2-[[2-[[2-[(2-acetamido-5-acetyloxypentanoyl)amino]-5-acetyloxypentanoyl]amino]-5-acetyloxypentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]acetate","","CC(=O)NC(CCCOC(=O)C)C(=O)NC(CCCOC(=O)C)C(=O)NC(CCCOC(=O)C)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CC=CC=C2","HLZXXSFJYGCAIQ-UHFFFAOYSA-N","382200",NA,"PDBC32000","669660","Present"
-"Benzyl 2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-methyl-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-phenylpropanoyl]amino]pentanoate","","CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C","QRTAICOFOHHOKD-UHFFFAOYSA-N","382711",NA,"PDBC32001","670360","Present"
-"Benzyl 2-[[2-[[5-acetoxy-2-[[5-acetoxy-2-(tert-butoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Benzyl 2-[[2-[[5-acetyloxy-2-[[5-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]acetate","","CC(=O)OCCCC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CC=CC=C2)NC(=O)C(CCCOC(=O)C)NC(=O)OC(C)(C)C","HWOJSVRZQACTNO-UHFFFAOYSA-N","383814",NA,"PDBC32002","672430","Present"
-"Benzyl 2-[[3-methyl-2-[[2-[[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]acetate","","","","","","","","","","","","","","","","","","","","NSC668012///NSC672645","","CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)OC(C)(C)C","YGIGXZFRKIRMJN-UHFFFAOYSA-N","381424",NA,"PDBC32003","668012///672645","Present"
-"Benzyl 2-[[3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Benzyl 2-[[3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate","","CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(C)(C)C","YOOLJUIABWGTAR-UHFFFAOYSA-N","383838",NA,"PDBC32004","672454","Present"
-"Benzyl 2-amino-3-(5-phenylmethoxypyridin-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Benzyl 2-amino-3-(5-(benzyloxy)-2-pyridinyl)propanoate","","C1=CC=C(C=C1)COC2=CN=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)N","PQGHNFKUZUGOKQ-UHFFFAOYSA-N","385341",NA,"PDBC32005","676459","Present"
-"Benzyl 2-benzyloxycarbonylamino-3-[4-bis(dimethylamino)phosphoryloxyphenyl]propanoate","","","","","","","","","","","","","","","","","","","","Benzyl 2-benzyloxycarbonylamino-3-[4-bis(dimethylamino)phosphoryloxyphenyl]propanoate","","CN(C)P(=O)(N(C)C)OC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","FAZQXRXLWNQGAS-UHFFFAOYSA-N","399741",NA,"PDBC32006","710836","Present"
-"Benzyl 2-benzyloxycarbonylamino-3-[4-bis(isobutylamino)phosphoryloxyphenyl]propanoate","","","","","","","","","","","","","","","","","","","","Benzyl 2-benzyloxycarbonylamino-3-[4-bis(isobutylamino)phosphoryloxyphenyl]propanoate","","CC(C)CNP(=O)(NCC(C)C)OC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","LTESKOSPRGXKCU-UHFFFAOYSA-N","399740",NA,"PDBC32007","710835","Present"
-"Benzyl 2-imino-5,5-dimethyl-4-oxo-1-imidazolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 2-imino-5,5-dimethyl-4-oxo-1-imidazolidinecarboxylate","","CC1(C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N)C","ZVOMYHFIMNTNQY-UHFFFAOYSA-N","386662",NA,"PDBC32008","679188","Present"
-"Benzyl 2-phenylhydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","AOCSTDDQEMIYAG-UHFFFAOYSA-N","","C1=CC=C(C=C1)COC(=O)NNC2=CC=CC=C2","AOCSTDDQEMIYAG-UHFFFAOYSA-N","291832",NA,"PDBC32009","157381","Present"
-"Benzyl 2-{[(tert-butoxy)carbonyl]amino}acetate","","","","","","","","","","","","","","","","","","","","Boc-Gly-Obzl","","CC(C)(C)OC(=O)NCC(=O)OCC1=CC=CC=C1","LYAICJLTIXLJAQ-UHFFFAOYSA-N","357720",NA,"PDBC32010","617237","Present"
-"Benzyl 3,5-dibromo-2-(dimethylcarbamoyloxy)benzoate","","","","","","","","","","","","","","","","","","","","Benzyl 3,5-dibromo-2-(dimethylcarbamoyloxy)benzoate","","CN(C)C(=O)OC1=C(C=C(C=C1Br)Br)C(=O)OCC2=CC=CC=C2","FHQZUBIFNAGWQL-UHFFFAOYSA-N","358984",NA,"PDBC32011","619191","Present"
-"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1,1-dimethyl-2-(neopentyloxy)-2-oxoethyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-[[1-(2,2-dimethylpropoxy)-2-methyl-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate","","CC(C)(C)COC(=O)C(C)(C)NC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","BSVQJVWLXOJEEF-UHFFFAOYSA-N","383891",NA,"PDBC32012","672677","Present"
-"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1-(3-hydroxybenzyl)-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-[[3-(3-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate","","COC(=O)C(CC1=CC(=CC=C1)O)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","UYAHRKPRJYGHTE-UHFFFAOYSA-N","381726",NA,"PDBC32013","668585","Present"
-"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1-(4-hydroxybenzyl)-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate","","COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","QDJYTRYMUGWSRM-UHFFFAOYSA-N","381634",NA,"PDBC32014","668456","Present"
-"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((2,2-dimethyl-3,7,14-trioxo-1,4,8-triazacyclotetradecan-13-yl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-[(2,2-dimethyl-3,7,14-trioxo-1,4,8-triazacyclotetradec-13-yl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate","","CC1(C(=O)NCCC(=O)NCCCCC(C(=O)N1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C","GWPAZEWBGZVUNH-UHFFFAOYSA-N","382291",NA,"PDBC32015","669753","Present"
-"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((2-methoxy-1-(2-methoxybenzyl)-2-oxoethyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-[[1-methoxy-3-(2-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate","","COC1=CC=CC=C1CC(C(=O)OC)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","PRWHJDRMQTTXFH-UHFFFAOYSA-N","381725",NA,"PDBC32016","668584","Present"
-"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-(4-cyanoanilino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-(4-cyanoanilino)-4-oxobutanoate","","C1=CC=C(C=C1)COC(=O)CC(C(=O)NC2=CC=C(C=C2)C#N)NC(=O)OCC3=CC=CC=C3","OBUAVCXMMQVBFH-UHFFFAOYSA-N","382220",NA,"PDBC32017","669677","Present"
-"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-oxo-4-((1-oxo-2,3-dihydro-1H-inden-2-yl)amino)butanoate","","","","","","","","","","","","","","","","","","","","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-oxo-4-((1-oxo-2,3-dihydro-1H-inden-2-yl)amino)butanoate","","C1C(C(=O)C2=CC=CC=C21)NC(=O)C(CC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","PAERWINHNYSKGS-UHFFFAOYSA-N","381453",NA,"PDBC32018","668041","Present"
-"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-oxo-4-((1-phenylethyl)amino)butanoate","","","","","","","","","","","","","","","","","","","","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-oxo-4-((1-phenylethyl)amino)butanoate","","CC(C1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","FXMSGXQDOWUWBG-UHFFFAOYSA-N","381454",NA,"PDBC32019","668042","Present"
-"Benzyl 3-((4-(((benzyloxy)carbonyl)amino)butyl)amino)propylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl 3-((4-(((benzyloxy)carbonyl)amino)butyl)amino)propylcarbamate","","C1=CC=C(C=C1)COC(=O)NCCCCNCCCNC(=O)OCC2=CC=CC=C2","AYTWVUUJRQPCGH-UHFFFAOYSA-N","389619",NA,"PDBC32020","685965","Present"
-"Benzyl 3-(2-aminoethyl)indoline-1-carboxylate hydrochloride","","","","","","","","","","","","","","","","","","","","Benzyl 3-(2-aminoethyl)indoline-1-carboxylate hydrochloride","","C1C(C2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3)CCN.Cl","FJRPXPUPXPEXRC-UHFFFAOYSA-N","394097",NA,"PDBC32021","697235","Present"
-"Benzyl 3-(2-benzyloxycarbonylaminoethyl)indoline-1-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 3-(2-benzyloxycarbonylaminoethyl)indoline-1-carboxylate","","C1C(C2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3)CCNC(=O)OCC4=CC=CC=C4","MBDINGFUDRFUNN-UHFFFAOYSA-N","394094",NA,"PDBC32022","697232","Present"
-"Benzyl 3-(3,4-bis(benzyloxy)phenyl)acrylate","","","","","","","","","","","","","","","","","","","","Benzyl 3-(3,4-bis(benzyloxy)phenyl)acrylate","","C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=CC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4","YIRBVYWXBGXDBH-HTXNQAPBSA-N","5476010",NA,"PDBC32023","175295","Present"
-"Benzyl 3-(5-(benzyloxy)-2-pyridinyl)-2-((trifluoroacetyl)amino)propanoate","","","","","","","","","","","","","","","","","","","","Benzyl 3-(5-(benzyloxy)-2-pyridinyl)-2-((trifluoroacetyl)amino)propanoate","","C1=CC=C(C=C1)COC2=CN=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)NC(=O)C(F)(F)F","KFUBHBIVZQKSHE-UHFFFAOYSA-N","385342",NA,"PDBC32024","676460","Present"
-"Benzyl 3-(benzyloxycarbonylamino)-4-[(1-cyclohexyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoate","","","","","","","","","","","","","","","","","","","","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1-cyclohexyl-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate","","COC(=O)C(C1CCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","CMWCUINOOXKXIL-UHFFFAOYSA-N","495917",NA,"PDBC32025","672676","Present"
-"Benzyl 3-(benzyloxycarbonylamino)-4-oxo-4-(2-oxochroman-3-ylamino)butanoate","","","","","","","","","","","","","","","","","","","","benzyl 3-(benzyloxycarbonylamino)-4-oxo-4-(2-oxochroman-...","","C1C(C(=O)OC2=CC=CC=C21)NC(=O)C(CC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","NTZYPYYMADBLGL-NQCNTLBGSA-N","6477462",NA,"PDBC32026","668038","Present"
-"Benzyl 3-(hydroxycarbamoyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","MMP-9/MMP-13 Inhibitor ll CalBioChem Cat. No. 444253","","COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OCC3=CC=CC=C3","DNGGPLKVDUPXFN-UHFFFAOYSA-N","4230",NA,"PDBC32027","727679","Present"
-"Benzyl 3-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-2-(benzyloxycarbonylaminomethyl)-3-oxo-propanoate","","","","","","","","","","","","","","","","","","","","NSC668022///NSC668049","","COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","XAFZYZVDMDRGIM-UHFFFAOYSA-N","381434",NA,"PDBC32028","668022///668049","Present"
-"Benzyl 3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-2,3-dihydroindole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-2,3-dihydroindole-1-carboxylate","","CC1C2CN(C(=O)CC2CC(=O)O1)CCC3CN(C4=CC=CC=C34)C(=O)OCC5=CC=CC=C5","AMOLYMXAGMCJFB-LPUHPQLJSA-N","394092",NA,"PDBC32029","697230","Present"
-"Benzyl 3-[2-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-4,5-dimethyl-1H-pyrrol-3-yl]propanoate","","","","","","","","","","","","","","","","","","","","(Z)-Benzyl 3-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)...","","CC1=C(NC(=C1CCC(=O)OCC2=CC=CC=C2)C=C3C(=CC(=N3)C4=CC=CN4)OC)C","WQESIZIROXOHNS-OYKKKHCWSA-N","155816757",NA,"PDBC32030","787814","Present"
-"Benzyl 3-[2-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-5-methyl-4-(2-oxo-2-phenylmethoxyethyl)-1H-pyrrol-3-yl]propanoate","","","","","","","","","","","","","","","","","","","","(Z)-Methyl 3-(2-((4-methoxy-1H,1'H-[2,2'-bipyrrol]-5-yl)...","","CC1=C(C(=C(N1)C=C2C(=CC(=N2)C3=CC=CN3)OC)CCC(=O)OCC4=CC=CC=C4)CC(=O)OCC5=CC=CC=C5","USTAAUUJWZWDMI-DXJNIWACSA-N","155813678",NA,"PDBC32031","787815","Present"
-"Benzyl 3-[2-[[(Z)-3-(2-methoxy-2-oxoethyl)hex-4-enoyl]amino]ethyl]-2,3-dihydroindole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 3-[2-[[(Z)-3-(2-methoxy-2-oxoethyl)hex-4-enoyl]amino]ethyl]-2,3-dihydroindole-1-carboxylate","","CC=CC(CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)OCC3=CC=CC=C3)CC(=O)OC","ZDQPRVMDJROIKV-OQFOIZHKSA-N","5470061",NA,"PDBC32032","697233","Present"
-"Benzyl 3-[2-[[(Z)-3-(2-methoxy-2-oxoethyl)hex-4-enoyl]amino]ethyl]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 3-[2-[[(Z)-3-(2-methoxy-2-oxoethyl)hex-4-enoyl]amino]ethyl]indole-1-carboxylate","","CC=CC(CC(=O)NCCC1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)CC(=O)OC","JCHSFHOCEMWGDI-OQFOIZHKSA-N","5470060",NA,"PDBC32033","697231","Present"
-"Benzyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)OCC3=CC=CC=C3","XJBAFJDKHHHXER-UHFFFAOYSA-N","404279",NA,"PDBC32034","720462","Present"
-"Benzyl 4,6-dioxo-2-(2-phenylethyl)hexahydro-5-pyrimidinylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl 4,6-dioxo-2-(2-phenylethyl)hexahydro-5-pyrimidinylcarbamate","","C1=CC=C(C=C1)CCC2NC(=O)C(C(=O)N2)NC(=O)OCC3=CC=CC=C3","DSWRULVTMNXWHX-UHFFFAOYSA-N","383836",NA,"PDBC32035","672452","Present"
-"Benzyl 4-((2,5-dihydroxybenzyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, b...","","C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NCC3=C(C=CC(=C3)O)O","DBMOJKQLJLJRSN-UHFFFAOYSA-N","386490",NA,"PDBC32036","678634","Present"
-"Benzyl 4-((2-((2-amino-1-methyl-2-oxoethyl)amino)-1,1-dimethyl-2-oxoethyl)amino)-3-(((benzyloxy)carbonyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-[[1-[(1-amino-1-oxopropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate","","CC(C(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","ASQGMHZTUYEPCB-UHFFFAOYSA-N","383828",NA,"PDBC32037","672445","Present"
-"Benzyl 4-((2-amino-1,1-dimethyl-2-oxoethyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-((2-amino-1,1-dimethyl-2-oxoethyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate","","CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)N","QCPSBURGPQYXJM-UHFFFAOYSA-N","382319",NA,"PDBC32038","669777","Present"
-"Benzyl 4-((7-(2-(4-((benzyloxy)carbonyl)-1-piperazinyl)-2-oxoethyl)-4,10-bis(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetyl)-1-piperazinecarboxylate","","","","","","","","","","","","","","","","","","","","1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, 4,10-b...","","CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)OC(C)(C)C)CC(=O)N4CCN(CC4)C(=O)OCC5=CC=CC=C5","KGXSNQOZVFIMKQ-UHFFFAOYSA-N","393893",NA,"PDBC32039","696853","Present"
-"Benzyl 4-((tert-butoxycarbonyl)amino)-5-((3-hydroxypropyl)amino)-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-((tert-butoxycarbonyl)amino)-5-((3-hydroxypropyl)amino)-5-oxopentanoate","","CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NCCCO","DDIUYMIKOYGTHA-UHFFFAOYSA-N","381614",NA,"PDBC32040","668427","Present"
-"Benzyl 4-(3-methoxy-3-oxopropyl)-3-methyl-5-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 4-(3-methoxy-3-oxopropyl)-3-methyl-5-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxylate","","CC1=C(NC(=C1CCC(=O)OC)CC2=CC=CN2)C(=O)OCC3=CC=CC=C3","WZLMHSMRIDNPFX-UHFFFAOYSA-N","382163",NA,"PDBC32041","669611","Present"
-"Benzyl 4-(3-methoxy-3-oxopropyl)-5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2-methyl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","(Z)-Benzyl 4-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)...","","CC1=C(C(=C(N1)C=C2C(=CC(=N2)C3=CC=CN3)OC)CCC(=O)OC)C(=O)OCC4=CC=CC=C4","ZODDUABDZOMAPC-UCQKPKSFSA-N","155807408",NA,"PDBC32042","787817","Present"
-"Benzyl 4-(acetylamino)-5-(benzylamino)-5-oxopentylcarbamate","","","","","","","","","","","","","","","","","","","","MCS-651","","CC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2","XUSNIBQZEPHKPC-UHFFFAOYSA-N","370428",NA,"PDBC32043","643524","Present"
-"Benzyl 4-(hydroxymethyl)-2,2-dimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 4-(hydroxymethyl)-2,2-dimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate","","CC1(OC2CN(C(C2O1)CO)C(=O)OCC3=CC=CC=C3)C","BAKQOXPWCAOVAA-UHFFFAOYSA-N","391522",NA,"PDBC32044","690770","Present"
-"Benzyl 4-(tert-butoxycarbonylamino)-5-[[2-[[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-1-[[4-(6-oxoheptanoylamino)phenyl]methyl]ethyl]amino]-5-oxo-pentanoate","","","","","","","","","","","","","","","","","","","","Benzyl 5-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxo-3-[4-(6-oxoheptanoylamino)phenyl]propan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate","","CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NCC(=O)NC)NC(=O)C(CCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","QKYMZJRKURWQMC-UHFFFAOYSA-N","382203",NA,"PDBC32045","669663","Present"
-"Benzyl 4-[3-(benzylideneamino)-4-methoxy-4-oxobutyl]-2-methoxypyrrolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 2-methoxy-4-(4-methoxy-4-oxo-3-{[(1e)-phenylmethylidene]amino}butyl)pyrrolidine-1-carboxylate","","COC1CC(CN1C(=O)OCC2=CC=CC=C2)CCC(C(=O)OC)N=CC3=CC=CC=C3","GBRRITNADBFKAB-UHFFFAOYSA-N","401742",NA,"PDBC32046","715472","Present"
-"Benzyl 4-[5-(4-benzyloxy-4-oxo-butanoyl)-2,8-dimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl]-4-oxo-butanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-[2,8-dimethyl-5-(4-oxo-4-phenylmethoxybutanoyl)-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl]-4-oxobutanoate","","CC1=CC2=C(C=C1)N(CC3=C(C=CC(=C3)C)N(C2)C(=O)CCC(=O)OCC4=CC=CC=C4)C(=O)CCC(=O)OCC5=CC=CC=C5","AZWDSOFMWCJIFU-UHFFFAOYSA-N","361908",NA,"PDBC32047","625320","Present"
-"Benzyl 4-aminobutyl(3-aminopropyl)carbamate","","","","","","","","","","","","","","","","","","","","Benzyl 4-aminobutyl(3-aminopropyl)carbamate","","C1=CC=C(C=C1)COC(=O)N(CCCCN)CCCN","ADDDUQKJZAGBIG-UHFFFAOYSA-N","389610",NA,"PDBC32048","685957","Present"
-"Benzyl 4-formyl-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 4-formyl-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate","","C1=CC=C(C=C1)COC(=O)C2=CC(=CN2S(=O)(=O)C3=CC=CC=C3)C=O","BQEFGBRFZMNZCR-UHFFFAOYSA-N","386824",NA,"PDBC32049","679532","Present"
-"Benzyl 4-oxo-4-[[2-oxo-2-propan-2-yloxy-1-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]ethyl]amino]-3-(phenylmethoxycarbonylamino)butanoate","","","","","","","","","","","","","","","","","","","","Benzyl 4-oxo-4-[[2-oxo-2-propan-2-yloxy-1-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]ethyl]amino]-3-(phenylmethoxycarbonylamino)butanoate","","CC(C)OC(=O)C(NC(=O)C1C(CCC1(C)C)(C)C)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","YQDJINVMOUEKLQ-UHFFFAOYSA-N","383829",NA,"PDBC32050","672446","Present"
-"Benzyl 5-((1-benzyl-2-methoxy-2-oxoethyl)amino)-4-((tert-butoxycarbonyl)amino)-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Benzyl 5-((1-benzyl-2-methoxy-2-oxoethyl)amino)-4-((tert-butoxycarbonyl)amino)-5-oxopentanoate","","CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC","WPOWABXCIDJCMF-UHFFFAOYSA-N","381728",NA,"PDBC32051","668587","Present"
-"Benzyl 5-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 5-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C(=CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C)C)C#N","MPBVQSVVYMHVPJ-MHWRWJLKSA-N","5387570",NA,"PDBC32052","624862","Present"
-"Benzyl 5-(2-cyanoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 5-(2-cyanoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate","","CC1(N(CC(O1)CCC#N)C(=O)OCC2=CC=CC=C2)C","YVAVBBCAJGIFED-UHFFFAOYSA-N","390242",NA,"PDBC32053","687534","Present"
-"Benzyl 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 5-(2-hydroxyethyl)-2,2-dimethyl-oxazolidine-3-carboxylate","","CC1(N(CC(O1)CCO)C(=O)OCC2=CC=CC=C2)C","PAHGBVUAOMNCFJ-UHFFFAOYSA-N","390240",NA,"PDBC32054","687532","Present"
-"Benzyl 5-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 5-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate","","CC1(N(CC(O1)CC(=O)OC)C(=O)OCC2=CC=CC=C2)C","YDUZMOPITJLACJ-UHFFFAOYSA-N","390239",NA,"PDBC32055","687531","Present"
-"Benzyl 5-(3-(benzyloxy)anilino)-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Benzyl 5-(3-(benzyloxy)anilino)-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoate","","C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","FXBFNQLCBHHWGQ-UHFFFAOYSA-N","382144",NA,"PDBC32056","669588","Present"
-"Benzyl 5-(4-(benzyloxy)anilino)-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Glutamine, N(2)-[[(phenyl)methoxy]carbonyl]- N-[4-[(phen...","","C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","PUYIMLORCYIODG-UHFFFAOYSA-N","382143",NA,"PDBC32057","669587","Present"
-"Benzyl 5-(acetylamino)-6-(benzylamino)-6-oxohexylcarbamate","","","","","","","","","","","","","","","","","","","","MCS-653","","CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2","QCKOGSHUYPJMAE-UHFFFAOYSA-N","370429",NA,"PDBC32058","643525","Present"
-"Benzyl 5-(benzyloxycarbonylamino)-2-(prop-2-ynylcarbamoylamino)pentanoate","","","","","","","","","","","","","","","","","","","","NSC634768","","C#CCNC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2","BPAATIDHNVHVFU-UHFFFAOYSA-N","366399",NA,"PDBC32059","634768","Present"
-"Benzyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Benzyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride","","CC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC.Cl","YRSPFSKBUWFBBW-SDKPGJOKSA-N","136040166",NA,"PDBC32060","753665","Present"
-"Benzyl 5-[[1-[[2-[[1-benzyl-2-oxo-2-(2,3,4,5,6-pentachlorophenoxy)ethyl]amino]-1-(benzyloxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-(tert-butoxycarbonylamino)-5-oxo-pentanoate","","","","","","","","","","","","","","","","","","","","Benzyl 5-[[4-methyl-1-oxo-1-[[1-oxo-1-[[1-oxo-1-(2,3,4,5,6-pentachlorophenoxy)-3-phenylpropan-2-yl]amino]-3-phenylmethoxypropan-2-yl]amino]pentan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-","","CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)NC(=O)C(CCC(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C","KPBMMGYTEAKHQE-UHFFFAOYSA-N","381792",NA,"PDBC32061","668871","Present"
-"Benzyl 5-[[5-benzyloxycarbonyl-3,4-bis(2-ethoxy-2-oxo-ethyl)-1H-pyrrol-2-yl]methyl]-3,4-bis(2-ethoxy-2-oxo-ethyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 5-[[3,4-bis(2-ethoxy-2-oxoethyl)-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3,4-bis(2-ethoxy-2-oxoethyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)CC1=C(NC(=C1CC(=O)OCC)C(=O)OCC2=CC=CC=C2)CC3=C(C(=C(N3)C(=O)OCC4=CC=CC=C4)CC(=O)OCC)CC(=O)OCC","VYEVPFOSCLWIFY-UHFFFAOYSA-N","371503",NA,"PDBC32062","645798","Present"
-"Benzyl 5-amino-1-(((2-amino-2-oxoethyl)amino)carbonyl)pentylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl 5-amino-1-(((2-amino-2-oxoethyl)amino)carbonyl)pentylcarbamate","","C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)NCC(=O)N","XYEPOOWVNBMPFD-UHFFFAOYSA-N","382253",NA,"PDBC32063","669708","Present"
-"Benzyl 5-amino-4-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Benzyl 5-amino-4-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-5-oxopentanoate","","CC(C)CC(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C","UXLOBOBQZQUUPI-UHFFFAOYSA-N","382701",NA,"PDBC32064","670349","Present"
-"Benzyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCC3=CC=CC=C3","ZXLOPXPYTFWLLF-UHFFFAOYSA-N","404285",NA,"PDBC32065","720466","Present"
-"Benzyl 6-(3-(3-methyl-1,4-dihydronaphthalen-2-ylselanyl)-2-(3-(phenylselanyl)propanoyloxy)propanamido)hexanoate","","","","","","","","","","","","","","","","","","","","Benzyl 6-(3-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-...","","CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NCCCCCC(=O)OCC3=CC=CC=C3)OC(=O)CC[Se]C4=CC=CC=C4","AXOXQZPICBHFQZ-UHFFFAOYSA-N","44226337",NA,"PDBC32066","750910","Present"
-"Benzyl 6-(3-(3-methyl-1,4-dihydronapthalen-2-ylselanyl)-2-(3-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylthio)propanoyloxy)propanamido)hexanoate","","","","","","","","","","","","","","","","","","","","Benzyl 6-(3-(3-methyl-1,4-dioxo-1,4-dihydronapthalen-2-y...","","CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)OC(C[Se]C3=C(C(=O)C4=CC=CC=C4C3=O)C)C(=O)NCCCCCC(=O)OCC5=CC=CC=C5","UOKDORWDDUKASW-UHFFFAOYSA-N","54613301",NA,"PDBC32067","750909","Present"
-"Benzyl 6-(5-(1,3-dioxolan-2-yl)-1-pentenyl)-5-pentyl-2-cyclohexen-1-ylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl 6-(5-(1,3-dioxolan-2-yl)-1-pentenyl)-5-pentyl-2-cyclohexen-1-ylcarbamate","","CCCCCC1CC=CC(C1C=CCCCC2OCCO2)NC(=O)OCC3=CC=CC=C3","ZCAFOJDYVJUNHB-CXUHLZMHSA-N","5386772",NA,"PDBC32068","617613","Present"
-"Benzyl 6-(benzyloxy)-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 6-(benzyloxy)-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate","","CC1(CN(C2N1C(=O)C2(C)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C","ZJWBFAGXQGDJBF-UHFFFAOYSA-N","373038",NA,"PDBC32069","648871","Present"
-"Benzyl 6-(benzyloxy)-2-isopropyl-6-methyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 6-(benzyloxy)-2-isopropyl-6-methyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate","","CC(C)C1CN(C2N1C(=O)C2(C)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","DWEHYYMYUHOBEE-UHFFFAOYSA-N","373032",NA,"PDBC32070","648865","Present"
-"Benzyl 6-(benzyloxycarbonylamino)-2-(methylcarbamoylamino)hexanoate","","","","","","","","","","","","","","","","","","","","L-Lysine, N-[(methylamino)carbonyl]-N'-(phenylmethoxy- c...","","CNC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2","KKJNBVBJIRNSET-UHFFFAOYSA-N","366395",NA,"PDBC32071","634764","Present"
-"Benzyl 6-(benzyloxycarbonylamino)-2-(prop-2-ynylcarbamoylamino)hexanoate","","","","","","","","","","","","","","","","","","","","L-Lysine, N-[(2-propynylamino)carbonyl]-N'-[(phenyl- met...","","C#CCNC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2","ZOXQWHOONSZTHA-UHFFFAOYSA-N","366401",NA,"PDBC32072","634770","Present"
-"Benzyl 6-(benzyloxycarbonylamino)-2-[[methyl(nitroso)carbamoyl]amino]hexanoate","","","","","","","","","","","","","","","","","","","","Benzyl 6-(benzyloxycarbonylamino)-2-[[methyl(nitroso)carbamoyl]amino]hexanoate","","CN(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=O","UECJVBXQPAZMKG-UHFFFAOYSA-N","366396",NA,"PDBC32073","634765","Present"
-"Benzyl 6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-[[2-(benzyloxycarbonylamino)-6-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate","","","","","","","","","","","","","","","","","","","","Benzyl 6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-2-[[2-(phenylmethoxycarbonylamino)-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate","","C1=CC=C(C=C1)COC(=O)C(CCCCNC(=O)CNC(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)CNC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","GLQLJNLDXVKNHR-UHFFFAOYSA-N","381618",NA,"PDBC32074","668435","Present"
-"Benzyl 6-[[2-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanylpropanoyl]amino]hexanoate","","","","","","","","","","","","","","","","","","","","Benzyl 6-[[2-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanylpropanoyl]amino]hexanoate","","CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NCCCCCC(=O)OCC3=CC=CC=C3)OC(=O)C(CO)NC(=O)OC(C)(C)C","SEGPBBMHGDTGMN-AVJYQCBHSA-N","54613436",NA,"PDBC32075","751133","Present"
-"Benzyl 6-[[2-[(2S)-3-(tert-butyldisulfanyl)-2-(2,2-dimethylpropanoylamino)propanoyl]oxy-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanylpropanoyl]amino]hexanoate","","","","","","","","","","","","","","","","","","","","Benzyl 6-[[2-[(2S)-3-(tert-butyldisulfanyl)-2-(2,2-dimethylpropanoylamino)propanoyl]oxy-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanylpropanoyl]amino]hexanoate","","CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NCCCCCC(=O)OCC3=CC=CC=C3)OC(=O)C(CSSC(C)(C)C)NC(=O)C(C)(C)C","MNSHXJGUBHNZAU-IDCGIGBZSA-N","54613437",NA,"PDBC32076","751134","Present"
-"Benzyl 6-benzyl-9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate","","","","","","","","","","","","","","","","","","","","Benzyl 6-benzyl-9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate","","CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C","DFSIACYJONKASS-UHFFFAOYSA-N","382712",NA,"PDBC32077","670361","Present"
-"Benzyl 6-formyl-2-cyclohexen-1-ylcarbamate","","","","","","","","","","","","","","","","","","","","Benzyl 6-formyl-2-cyclohexen-1-ylcarbamate","","C1CC(C(C=C1)NC(=O)OCC2=CC=CC=C2)C=O","UTIDXYKFNVAIAU-UHFFFAOYSA-N","357934",NA,"PDBC32078","617602","Present"
-"Benzyl 6-methoxy-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 6-methoxy-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate","","CC1(CN(C2N1C(=O)C2(C)OC)C(=O)OCC3=CC=CC=C3)C","OWBIWRLEEMMVHR-UHFFFAOYSA-N","373037",NA,"PDBC32079","648870","Present"
-"Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-6-((4-methylphenyl)sulfonyl)benzo(1,2-b:4,3-b')dipyrrole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 7-(Methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-...","","CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C(=O)C(=O)C4=C3C(=CN4)C(=O)OCC5=CC=CC=C5)C(=O)OC","AVADCSIAVBNFKV-UHFFFAOYSA-N","386817",NA,"PDBC32080","679525","Present"
-"Benzyl 7-[1-(benzenesulfonyl)indol-2-yl]-5-methoxy-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benzyl 6-[1-(benzenesulfonyl)indol-2-yl]-3-methoxy-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate","","COC1=CC2C(CC1CN2C(=O)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6","BBTHMRUKEOAQAM-UHFFFAOYSA-N","396981",NA,"PDBC32081","704218","Present"
-"Benzyl 9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate","","","","","","","","","","","","","","","","","","","","Benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoyl]amino]acetate","","CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C","QVZRDYASQCEFCA-UHFFFAOYSA-N","381427",NA,"PDBC32082","668015","Present"
-"Benzyl N,N-dimethyl-N'-(phenylcarbamothioyl)carbamimidothioate","","","","","","","","","","","","","","","","","","","","Benzyl N,N-dimethyl-N'-(phenylcarbamothioyl)carbamimidothioate","","CN(C)C(=NC(=S)NC1=CC=CC=C1)SCC2=CC=CC=C2","MAABATQUMLGPPA-ZPHPHTNESA-N","6375381",NA,"PDBC32083","622575","Present"
-"Benzyl N,N-dimethyl-N'-(phenylcarbamoyl)carbamimidothioate","","","","","","","","","","","","","","","","","","","","Benzyl N,N-dimethyl-N'-(phenylcarbamoyl)carbamimidothioate","","CN(C)C(=NC(=O)NC1=CC=CC=C1)SCC2=CC=CC=C2","UMKMXJSLXGRACM-ZPHPHTNESA-N","6376075",NA,"PDBC32084","622576","Present"
-"Benzyl N-(1,3-dioxo-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl)carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-(1,3-dioxo-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl)carbamate","","C1C=CC(C2C1C(=O)N(C2=O)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","FJNBWKYPMHKHAW-UHFFFAOYSA-N","357933",NA,"PDBC32085","617601","Present"
-"Benzyl N-(2,4,5-trichlorophenyl)carbamodithioate","","","","","","","","","","","","","","","","","","","","Benzyl N-(2,4,5-trichlorophenyl)carbamodithioate","","C1=CC=C(C=C1)CSC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl","RQQYSBGUTQWHEE-UHFFFAOYSA-N","4985501",NA,"PDBC32086","290977","Present"
-"Benzyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(phenylmethoxycarbonyl)amino]butyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(benzyloxycarbonyl)amino]butyl]carbamate","","C1=CC=C(C=C1)COC(=O)N(CCCCN(CCCN)C(=O)OCC2=CC=CC=C2)CCCN","UPZFNXVELQDDDA-UHFFFAOYSA-N","389634",NA,"PDBC32087","685978","Present"
-"Benzyl N-(4-acetamidobutyl)-N-(3-acetamidopropyl)carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-(4-acetamidobutyl)-N-(3-acetamidopropyl)carbamate","","CC(=O)NCCCCN(CCCNC(=O)C)C(=O)OCC1=CC=CC=C1","APNKRDQJXIDFOC-UHFFFAOYSA-N","389611",NA,"PDBC32088","685958","Present"
-"Benzyl N-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, [.alpha.-(chloroacetyl)phenethyl]-, benzy...///l-carbobenzyloxyphenylalanyl chloromethyl ketone","","C1=CC=C(C=C1)CC(C(=O)CCl)NC(=O)OCC2=CC=CC=C2","OYHLRJGDELITAF-UHFFFAOYSA-N","291704",NA,"PDBC32089","157082///251810","Present"
-"Benzyl N-(diphenoxyphosphorylmethyl)carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-(diphenoxyphosphorylmethyl)carbamate","","C1=CC=C(C=C1)COC(=O)NCP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3","OKNAZJDBEUAXJP-UHFFFAOYSA-N","382242",NA,"PDBC32090","669696","Present"
-"Benzyl N-(trimethylsilylmethyl)carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-(trimethylsilylmethyl)carbamate","","C[Si](C)(C)CNC(=O)OCC1=CC=CC=C1","MWVUREPCKMPVOF-UHFFFAOYSA-N","353436",NA,"PDBC32091","601811","Present"
-"Benzyl N-[(1,4-dimethyldibenzo-p-dioxin-2-yl)methyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[(1,4-dimethyldibenzo-p-dioxin-2-yl)methyl]carbamate","","CC1=CC(=C(C2=C1OC3=CC=CC=C3O2)C)CNC(=O)OCC4=CC=CC=C4","VZWOVCYFEAIRLY-UHFFFAOYSA-N","396591",NA,"PDBC32092","703099","Present"
-"Benzyl N-[(1E)-buta-1,3-dienyl]carbamate","","","","","","","","","","","","","","","","","","","","NSC617597","","C=CC=CNC(=O)OCC1=CC=CC=C1","LSQDRSXFUSBRBP-YCRREMRBSA-N","5384222",NA,"PDBC32093","617597","Present"
-"Benzyl N-[(1E,3E)-4-phenylsulfanylbuta-1,3-dienyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[(1E,3E)-4-phenylsulfanylbuta-1,3-dienyl]carbamate","","C1=CC=C(C=C1)COC(=O)NC=CC=CSC2=CC=CC=C2","YXBVZGCWJHVOEN-FNCQTZNRSA-N","5386770",NA,"PDBC32094","617611","Present"
-"Benzyl N-[(1R)-2-[methyl-(2-pyrrolidin-1-ylcyclohexyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride","","","","","","","","","","","","","","","","","","","","Benzyl N-[(1R)-2-[methyl-(2-pyrrolidin-1-ylcyclohexyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride","","CN(C1CCCCC1N2CCCC2)C(=O)C(C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4.Cl","GXGMJPLLEGIVFP-CIEVTQHJSA-N","54611454",NA,"PDBC32095","707820","Present"
-"Benzyl N-[(1R,6R)-6-phenylcyclohex-2-en-1-yl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[(1R,6R)-6-phenylcyclohex-2-en-1-yl]carbamate","","C1CC(C(C=C1)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3","XVOVRZQSHRTYKY-RTBURBONSA-N","357808",NA,"PDBC32096","617336","Present"
-"Benzyl N-[(2R,3S)-1,1,1-trifluoro-3-hydroxy-2-(4-methylphenyl)sulfanylhex-5-en-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[(2R,3S)-1,1,1-trifluoro-3-hydroxy-2-(4-methylphenyl)sulfanylhex-5-en-2-yl]carbamate","","CC1=CC=C(C=C1)SC(C(CC=C)O)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","XRCRVYIEBLZMFR-AZUAARDMSA-N","400574",NA,"PDBC32097","712697","Present"
-"Benzyl N-[(2S)-1-[[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[(2S)-1-[[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate","","CC(C(C(=O)NC(C1COC(O1)(C)C)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC(C)(C)C","QPALEXAGITVJGH-DYAGCFSKSA-N","375651",NA,"PDBC32098","655471","Present"
-"Benzyl N-[(3S)-7,9-diiodo-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[(3S)-7,9-diiodo-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]carbamate","","C1C(C(=O)OC12C=C(C(=O)C(=C2)I)I)NC(=O)OCC3=CC=CC=C3","FKGWYTIXJDFNSX-ZDUSSCGKSA-N","371588",NA,"PDBC32099","645980","Present"
-"Benzyl N-[(5S)-6-[(E)-5-(1,3-dioxolan-2-yl)-3-oxopent-1-enyl]-5-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-yl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[(5S)-6-[(E)-5-(1,3-dioxolan-2-yl)-3-oxopent-1-enyl]-5-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-yl]carbamate","","COCOCCC1CC=CC(C1C=CC(=O)CCC2OCCO2)NC(=O)OCC3=CC=CC=C3","GQVNYDKGIZIGQZ-HAVUTTILSA-N","5386713",NA,"PDBC32100","617309","Present"
-"Benzyl N-[1-(benzyloxycarbonylamino)-3-methylsulfanyl-propyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-(benzyloxycarbonylamino)-3-methylsulfanyl-propyl]carbamate","","CSCCC(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","HETYQHRQALZZLZ-UHFFFAOYSA-N","382187",NA,"PDBC32101","669646","Present"
-"Benzyl N-[1-[2-[6-[[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-[2-[6-[[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carba","","C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCN(CCO)C(=O)NCCCCCCNC(=O)N(CCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC4=CC=CC=C4)CCO","XFGRYJLDEWXRCP-UHFFFAOYSA-N","361684",NA,"PDBC32102","624903","Present"
-"Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate","","CC(C)CC(C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=C(C=C2)OC)C(=O)NCC(=O)N)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3","APUCYJWTGNWWTG-CAQJENOZSA-N","380325",NA,"PDBC32103","665809","Present"
-"Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]ethylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]ethylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarb","","CC(C)CC(C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=C(C=C2)OC)C(=O)NCCNC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)NC(=O)C(C)NC(=O)OCC4=CC=CC=C4","WSMYKZLSSPMPME-CSNKRPRCSA-N","380323",NA,"PDBC32104","665807","Present"
-"Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]ca","","CC(C)CC(C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=C(C=C2)OC)C(=O)NC(C)C(=O)N)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3","KQDRVWGEFGCBTG-PRLJYKPRSA-N","5468180",NA,"PDBC32105","665808","Present"
-"Benzyl N-[1-dimethoxyphosphoryl-2-(1H-indol-3-yl)ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[1-dimethoxyphosphoryl-2-(1H-indol-3-yl)ethyl]carbamate","","COP(=O)(C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)OC","JNPODQMCWPFDKV-UHFFFAOYSA-N","382175",NA,"PDBC32106","669634","Present"
-"Benzyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate","","C1CN(CCN1)CCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC3=CC=CC=C3","HZOYNLBZZDLYCY-UHFFFAOYSA-N","361687",NA,"PDBC32107","624906","Present"
-"Benzyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]carbamate","","C1C(C2=CC=CC=C2N1)CCNC(=O)OCC3=CC=CC=C3","XMMGZTFCUWAARC-UHFFFAOYSA-N","394107",NA,"PDBC32108","697244","Present"
-"Benzyl N-[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate","","C1=CC=C(C=C1)COC(=O)NC2C(C(C(OC2N3C=C(C(=O)NC3=O)F)CO)O)O","NACMHNJXBLLZCA-UHFFFAOYSA-N","363724",NA,"PDBC32109","628902","Present"
-"Benzyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate","","C1=CC=C(C=C1)COC(=O)NCCC2=C3C(=O)C=C(C(=O)C3=NN2)NC4=CC=CC=C4","MMVLRLOYVGQICJ-UHFFFAOYSA-N","390667",NA,"PDBC32110","688296","Present"
-"Benzyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate","","COC1=CC(=O)C2=C(NN=C2C1=O)CCNC(=O)OCC3=CC=CC=C3","IMIXXYDASULQSE-UHFFFAOYSA-N","384098",NA,"PDBC32111","673321","Present"
-"Benzyl N-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]carbamate","","C1C(C2=CC=CC=C2N1S(=O)(=O)C(F)(F)F)CCNC(=O)OCC3=CC=CC=C3","NARQDPVFRIMABC-UHFFFAOYSA-N","394108",NA,"PDBC32112","697245","Present"
-"Benzyl N-[2-[7-chloro-5-(4-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[2-[7-chloro-5-(4-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate","","C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)Cl)CCNC(=O)OCC4=CC=CC=C4","QOZPGTGAOMQWBM-UHFFFAOYSA-N","398656",NA,"PDBC32113","708814","Present"
-"Benzyl N-[2-[[(3S)-3-benzyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[2-[[(3S)-3-benzyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]ethyl]carbamate","","C1CC2C(=O)N(C(C(=O)N2C1)CC3=CC=CC=C3)S(=O)(=O)CCNC(=O)OCC4=CC=CC=C4","CJZCPYPJNJJGEU-LBAQZLPGSA-N","3004327",NA,"PDBC32114","645597","Present"
-"Benzyl N-[2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate","","CC(C)(C)[Si](C)(C)OC(CC=C)CNC(=O)OCC1=CC=CC=C1","ZWVQKRKPIXXMBM-UHFFFAOYSA-N","401740",NA,"PDBC32115","715470","Present"
-"Benzyl N-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]carbamate","","C1COC(=O)N1C(=O)CNC(=O)OCC2=CC=CC=C2","ARGJZBQAUVUUDX-UHFFFAOYSA-N","357716",NA,"PDBC32116","617233","Present"
-"Benzyl N-[3-(benzylamino)propyl]-N-[4-[3-(benzylamino)propyl-phenylmethoxycarbonylamino]butyl]carbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, [1,4-butanediylbis[N-[3-(phenylmethyl)~am...","","C1=CC=C(C=C1)CNCCCN(CCCCN(CCCNCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","XJHNORLJONUTKI-UHFFFAOYSA-N","391189",NA,"PDBC32117","690023","Present"
-"Benzyl N-[4-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]butyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[4-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]butyl]carbamate","","C1=CC=C(C=C1)COC(=O)NCCCCNC2=CC=CC=CC2=O","QKXRLAWZZVKXDG-UHFFFAOYSA-N","358320",NA,"PDBC32118","618284","Present"
-"Benzyl N-[4-[[2-[4-(phenylmethoxycarbonylamino)butylamino]cyclohepta-2,4,6-trien-1-ylidene]amino]butyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[4-[[2-[4-(phenylmethoxycarbonylamino)butylamino]cyclohepta-2,4,6-trien-1-ylidene]amino]butyl]carbamate","","C1=CC=C(C=C1)COC(=O)NCCCCNC2=CC=CC=CC2=NCCCCNC(=O)OCC3=CC=CC=C3","VAMPVPHSPBARGV-UHFFFAOYSA-N","358322",NA,"PDBC32119","618286","Present"
-"Benzyl N-[4-[phenylmethoxycarbonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, [1,4-butanediylbis[N-[3-[(trifluoroacetyl...","","C1=CC=C(C=C1)COC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2)CCCNC(=O)C(F)(F)F","FMRNDEFTGOCQIQ-UHFFFAOYSA-N","389633",NA,"PDBC32120","685977","Present"
-"Benzyl N-[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopentan-2-yl]carbamate;carbonic acid","","","","","","","","","","","","","","","","","","","","Benzyl N-[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopentan-2-yl]carbamate;carbonic acid","","CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3.C(=O)(O)O","FTTOWHURYNPFNN-UHFFFAOYSA-N","386992",NA,"PDBC32121","680303","Present"
-"Benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-6-oxohexyl]carbamate","","","","","","","","","","","","","","","","","","","","Benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethy","","CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NCCNC2=C3C(=C(C=C2)NCCNC(=O)C(CCCCNC(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)C5=CC=CC=C5C3=O","HZOIYWISQLHOBB-UHFFFAOYSA-N","438923",NA,"PDBC32122","684439","Present"
-"Benzyl N-amino-N'-phenylcarbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC686493","","C1=CC=C(C=C1)CSC(=NC2=CC=CC=C2)NN.Cl","FCGHWBXGZIGWRG-UHFFFAOYSA-N","389863",NA,"PDBC32123","686493","Present"
-"Benzyl [4-[2-(benzyloxycarbonylamino)-3-hydroxy-propyl]-2-[4-[2-(benzyloxycarbonylamino)-3-hydroxy-propyl]phenoxy]phenyl] carbonate","","","","","","","","","","","","","","","","","","","","Benzyl [4-[3-hydroxy-2-(phenylmethoxycarbonylamino)propyl]-2-[4-[3-hydroxy-2-(phenylmethoxycarbonylamino)propyl]phenoxy]phenyl] carbonate","","C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OC3=C(C=CC(=C3)CC(CO)NC(=O)OCC4=CC=CC=C4)OC(=O)OCC5=CC=CC=C5)CO","UWBZUDIZDPQQDR-UHFFFAOYSA-N","394214",NA,"PDBC32124","697496","Present"
-"Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3,4-dihydroxycyclopentyl)ethyl)carbamate","","","","","","","","","","","","","","","","","","","","Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3,4-dihydroxycyclopentyl)ethyl)carbamate","","CCC1(CC(C(C1O)OCC2=CC=CC=C2)CCN(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O","SVQGFDBDSKMWAI-UHFFFAOYSA-N","395126",NA,"PDBC32125","699417","Present"
-"Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3-cyclopenten-1-yl)ethyl)carbamate","","","","","","","","","","","","","","","","","","","","Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3-cyclopenten-1-yl)ethyl)carbamate","","CCC1=CC(C(C1)CCN(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4","TXBSMUMKRYFCFW-UHFFFAOYSA-N","395125",NA,"PDBC32126","699416","Present"
-"Benzyl caffeate","","","","","","","","","","","","","","","","","","","","Benzyl caffeate","","C1=CC=C(C=C1)COC(=O)C=CC2=CC(=C(C=C2)O)O","WWVKQTNONPWVEL-VQHVLOKHSA-N","5919576",NA,"PDBC32127","666590","Present"
-"Benzyl dimethyldithiocarbamate","","","","","","","","","","","","","","","","","","","","TC-167793","","CN(C)C(=S)SCC1=CC=CC=C1","HLZBIKHKXIJIHX-UHFFFAOYSA-N","81664",NA,"PDBC32128","24913","Present"
-"Benzyl isothiocyanate","","","","","","","","","","","","","","","","","","","","Benzyl Isothiocyanate","","C1=CC=C(C=C1)CN=C=S","MDKCFLQDBWCQCV-UHFFFAOYSA-N","2346",NA,"PDBC32129","118976","Present"
-"Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate","","","","","","","","","","","","","","","","","","","","Phosphordiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydr...","","C1=CC=C(C=C1)COP(=O)(NCCCO)N(CCCl)CCCl","NQZNJXCDRIFPDE-UHFFFAOYSA-N","251762",NA,"PDBC32130","72511","Present"
-"Benzyl pyrrole-1-carboxylate","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-1-carboxylic acid benzyl ester","","C1=CC=C(C=C1)COC(=O)N2C=CC=C2","PCEHCHSVPXQJFP-UHFFFAOYSA-N","359024",NA,"PDBC32131","619381","Present"
-"Benzyl tert-butyl ethane-1,2-diyldicarbamate","","","","","","","","","","","","","","","","","","","","2030AC","","CC(C)(C)OC(=O)NCCNC(=O)OCC1=CC=CC=C1","KSRSLPBOKBJBBE-UHFFFAOYSA-N","381437",NA,"PDBC32132","668025","Present"
-"Benzyl trisulfide","","","","","","","","","","","","","","","","","","","","benzyl trisulfide","","C1=CC=C(C=C1)CSSSCC2=CC=CC=C2","UXDMWYANCHMSJX-UHFFFAOYSA-N","122842",NA,"PDBC32133","709944","Present"
-"Benzyl {4-[(E)-phenyldiazenyl]phenyl}carbamodithioate","","","","","","","","","","","","","","","","","","","","Benzyl {4-[(E)-phenyldiazenyl]phenyl}carbamodithioate","","C1=CC=C(C=C1)CSC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3","LFWUBVCDKFYXJS-UHFFFAOYSA-N","3294281",NA,"PDBC32134","270346","Present"
-"Benzyl(1-(1-naphthyl)ethyl)azane oxide","","","","","","","","","","","","","","","","","","","","Benzyl(1-(1-naphthyl)ethyl)azane oxide","","CC(C1=CC=CC2=CC=CC=C21)[N+](=CC3=CC=CC=C3)[O-]","XDUGYHKSUWLKMI-ZHZULCJRSA-N","5466982",NA,"PDBC32135","646228","Present"
-"Benzyl(1-phenylethyl)azane oxide","","","","","","","","","","","","","","","","","","","","Benzyl(1-phenylethyl)azane oxide","","CC(C1=CC=CC=C1)[N+](=CC2=CC=CC=C2)[O-]","VCCUQQXPEXRXEK-VBKFSLOCSA-N","5466983",NA,"PDBC32136","646229","Present"
-"Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine","","","","","","","","","","","","","","","","","","","","1h-pyrazolo[3,4-d]pyrimidine, 4-(benzylamino)-1-methyl-","","CN1C2=NC=NC(=C2C=N1)NCC3=CC=CC=C3","IGHOYJOUGQNIAB-UHFFFAOYSA-N","219778",NA,"PDBC32137","1451","Present"
-"Benzyl-(1-methyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium","","","","","","","","","","","","","","","","","","","","Benzyl-(1-methyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium","","CN1C(=NN=N1)[N-]CC2=CC=CC=C2.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]","QLTNKLIMVDTGOO-UHFFFAOYSA-O","6333602",NA,"PDBC32138","274553","Present"
-"Benzyl-(2-methylphenyl)-diphenylphosphanium;chloride","","","","","","","","","","","","","","","","","","","","NSC116716","","CC1=CC=CC=C1[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","LSKNDIHNOSMKRA-UHFFFAOYSA-M","20375529",NA,"PDBC32139","116716","Present"
-"Benzyl-(2-phenylphenyl)phosphinic acid","","","","","","","","","","","","","","","","","","","","Benzyl-(2-phenylphenyl)phosphinic acid","","C1=CC=C(C=C1)CP(=O)(C2=CC=CC=C2C3=CC=CC=C3)O","MBXXAWQVAZOTJO-UHFFFAOYSA-N","380767",NA,"PDBC32140","666476","Present"
-"Benzyl-(4,5-bis-benzyloxy-6-benzyloxymethyl-2-oxo-2-phenyl-2lambda*5*-[1,2]oxaphosphinan-3-yl)-amine","","","","","","","","","","","","","","","","","","","","Benzyl-(4,5-bis-benzyloxy-6-benzyloxymethyl-2-oxo-2-phen...","","C1=CC=C(C=C1)CNC2C(C(C(OP2(=O)C3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6","QCSCGVWMBKQFFE-GJULFRLMSA-N","60148167",NA,"PDBC32141","753860","Present"
-"Benzyl-(4-methylphenyl)-diphenylphosphanium;chloride","","","","","","","","","","","","","","","","","","","","NSC116717","","CC1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","VUMXDKJVVWRPBW-UHFFFAOYSA-M","24190924",NA,"PDBC32142","116717","Present"
-"Benzyl-4-(benzyloxy)-5,6-dimethylpicolinate","","","","","","","","","","","","","","","","","","","","benzyl-4-(benzyloxy)-5,6-dimethylpicolinate","","CC1=C(N=C(C=C1OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C","LHZQVAJJDVISKK-UHFFFAOYSA-N","325113",NA,"PDBC32143","292928","Present"
-"Benzyl-ethyl-methyl-phenylphosphanium;2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Benzyl-ethyl-methyl-phenylphosphanium;2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoate","","CC[P+](C)(CC1=CC=CC=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)O","YRPRAPRPKCPFFP-UHFFFAOYSA-M","357560",NA,"PDBC32144","617045","Present"
-"Benzyl-ethyl-methyl-phenylphosphanium;bromide","","","","","","","","","","","","","","","","","","","","Benzyl-ethyl-methyl-phenylphosphanium;bromide","","CC[P+](C)(CC1=CC=CC=C1)C2=CC=CC=C2.[Br-]","MGNRWJMLWCXXIM-UHFFFAOYSA-M","357559",NA,"PDBC32145","617044","Present"
-"Benzylamine,N-bis(2-chloroethyl)-5-(2,4-dinitroanilino)-2-methoxy-, monohydrochloride","","","","","","","","","","","","","","","","","","","","Benzylamine, N,N-bis(2-chloroethyl)-5-(2,4-dinitroanilin...","","COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CN(CCCl)CCCl.Cl","GXZXEIGPYPMLMF-UHFFFAOYSA-N","21144205",NA,"PDBC32146","46240","Present"
-"Benzylcarbamic acid;phenylmethanamine","","","","","","","","","","","","","","","","","","","","benzylcarbamic acid compound with benzylamine (1:1)","","C1=CC=C(C=C1)CN.C1=CC=C(C=C1)CNC(=O)O","CGABNMAUJREYGO-UHFFFAOYSA-N","230053",NA,"PDBC32147","24515","Present"
-"Benzylcyclooctane; iridium; trimethylphosphane","","","","","","","","","","","","","","","","","","","","Benzylcyclooctane; iridium; trimethylphosphane","","","","",NA,"PDBC32148","625570","Present"
-"Benzyldimethyl(tridecyl)ammonium chloride","","","","","","","","","","","","","","","","","","","","BENZALKONIUM CHLORIDE","","CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]","XIWFQDBQMCDYJT-UHFFFAOYSA-M","3014024",NA,"PDBC32149","758480","Present"
-"Benzylhexamethylenetetraammonium chloride","","","","","","","","","","","","","","","","","","","","Benzylhexamethylenetetraammonium chloride","","C1N2CN3CN1C[N+](C2)(C3)CC4=CC=CC=C4.[Cl-]","NMVNVMCQQRFETJ-UHFFFAOYSA-M","12645659",NA,"PDBC32150","10408","Present"
-"Benzylhydrochlorothiazide","","","","","","","","","","","","","","","","","","","","Behyd","","C1=CC=C(C=C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl","BWSSMIJUDVUASQ-UHFFFAOYSA-N","2348",NA,"PDBC32151","263220","Present"
-"Benzylideneacetone","","","","","","","","","","","","","","","","","","","","benzalacetone","","CC(=O)C=CC1=CC=CC=C1","BWHOZHOGCMHOBV-BQYQJAHWSA-N","637759",NA,"PDBC32152","5605","Present"
-"Benzyloxyisoquinoline, 6","","","","","","","","","","","","","","","","","","","","GSK980961A","","C1=CC=C(C=C1)COC2=C(C=C3C=CN=CC3=C2)C4=CC(=CC=C4)S(=O)(=O)N","WFQYBHCSVMMJEF-UHFFFAOYSA-N","42618163",NA,"PDBC32153","756194","Present"
-"Benzyloxyisoquinoline, 7","","","","","","","","","","","","","","","","","","","","GSK953913A","","C1=CC=C(C=C1)COC2=C(C=C3C=CN=CC3=C2)C4=CC=C(C=C4)S(=O)(=O)N","KKMQKOWAGAPQDL-UHFFFAOYSA-N","42618164",NA,"PDBC32154","756191","Present"
-"Benzyloxysanguinarine","","","","","","","","","","","","","","","","","","","","Benzyloxysanguinarine","","CN1C2C(C=CC3=CC4=C(C=C23)OCO4)C5=C(C1OCC6=CC=CC=C6)C7=C(C=C5)OCO7","XEXURBFGMDEJQC-UHFFFAOYSA-N","371259",NA,"PDBC32155","645318","Present"
-"Benzylpenillic acid","","","","","","","","","","","","","","","","","","","","Benzylpenillic acid","","CC1(C(N2C(S1)C(N=C2CC3=CC=CC=C3)C(=O)O)C(=O)O)C","PSPRNQOVLYLHSA-UHFFFAOYSA-N","253302",NA,"PDBC32156","76064","Present"
-"Bepridil hydrochloride","","","","","","","","","","","","","","","","","","","","bepridil hydrochloride (usan)","","CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.Cl","JXBBWYGMTNAYNM-UHFFFAOYSA-N","50088",NA,"PDBC32157","758390","Present"
-"Bepridil hydrochloride;B5016","","","","","","","","","","","","","","","","","","","","Bepridil hydrochloride;B5016","","","","",NA,"PDBC32158","785496","Present"
-"Berbamine, dihydrochloride","","","","","","","","","","","","","","","","","","","","berbamine","","CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6CN(CC7=CC(=C(C(=C67)O3)OC)OC)C)O)OC","ZJMYHEVTMWXXMA-UHFFFAOYSA-N","437172",NA,"PDBC32159","409664","Present"
-"Berberal","","","","","","","","","","","","","","","","","","","","Berberal","","COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]","JISRTQBQFQMSLG-UHFFFAOYSA-L","5351462",NA,"PDBC32160","5355","Present"
-"Berberine chloride","","","","","","","","","","","","","","","","","","","","Berberine chloride///NSC757795","","COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]","VKJGBAJNNALVAV-UHFFFAOYSA-M","12456",NA,"PDBC32161","163088///757795","Present"
-"Berberine iodide","","","","","","","","","","","","","","","","","","","","Berberine iodide","","COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[I-]","COKBTDHQMKTDCJ-UHFFFAOYSA-M","72350",NA,"PDBC32162","150446","Present"
-"Berberrubine chloride","","","","","","","","","","","","","","","","","","","","Berberrubine, hydrochloride","","COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-]","GYFSYEVKFOOLFZ-UHFFFAOYSA-N","72703",NA,"PDBC32163","96347","Present"
-"Bergamottin","","","","","","","","","","","","","","","","","","","","Bergamottin","","CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C","DBMJZOMNXBSRED-OQLLNIDSSA-N","5471349",NA,"PDBC32164","710599","Present"
-"Bergapten","","","","","","","","","","","","","","","","","","","","majudin","","COC1=C2C=CC(=O)OC2=CC3=C1C=CO3","BGEBZHIAGXMEMV-UHFFFAOYSA-N","2355",NA,"PDBC32165","95437","Present"
-"Bersaldegenin 1,5-orthoacetate","","","","","","","","","","","","","","","","","","","","BERSALDEGENIN 1,3,5-ORTHOACETATE","","CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC56C3(C7CC(C5)OC(O7)(O6)C)C=O","QMZMTFLDQTWANC-UHFFFAOYSA-N","282021",NA,"PDBC32166","135077","Present"
-"Bersenogenin","","","","","","","","","","","","","","","","","","","","BERSENOGENIN","","CC12CCC3C(C1(CC(C2C4=COC(=O)C=C4)O)O)CCC5(C3(CCC=C5)C=O)O","GJMVUWVCQBSDQU-UHFFFAOYSA-N","317839",NA,"PDBC32167","251692","Present"
-"Bestatin","","","","","","","","","","","","","","","","","","","","Bestatin","","CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O","VGGGPCQERPFHOB-UHFFFAOYSA-N","3238",NA,"PDBC32168","265489","Present"
-"Bet-IN-4","","","","","","","","","","","","","","","","","","","","ODM-207","","CC1=CC2=CC(=C(C=C2N(C1=O)CC3=CC=CC=N3)OC)C4=C(ON=C4C)C","YVGWSVHZXWFLIT-UHFFFAOYSA-N","118224658",NA,"PDBC32169","818620","Present"
-"Bet-bay 002","","","","","","","","","","","","","","","","","","","","Bet-BAY-002","","CC1=NN=C2N1C3=CC=CC=C3C(=CC2CC4=NN=C(O4)C)C5=CC=C(C=C5)Cl","AGYIAWHWIUZNSD-INIZCTEOSA-N","73425805",NA,"PDBC32170","785345","Present"
-"Betuletol","","","","","","","","","","","","","","","","","","","","Betuletol","","COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O","MSLBFGWANLXSOK-UHFFFAOYSA-N","5459196",NA,"PDBC32171","641548","Present"
-"Betulinic acid methyl ester","","","","","","","","","","","","","","","","","","","","methyl betulate","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC","XNZIMRUZBOZIBC-UHFFFAOYSA-N","423298",NA,"PDBC32172","152532","Present"
-"Betulitrin","","","","","","","","","","","","","","","","","","","","Betulitrin","","COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC4C(C(C(C(O4)CO)O)O)O","BNHYQVLYKVAVLP-UHFFFAOYSA-N","5387563",NA,"PDBC32173","624663","Present"
-"Beyeranone","","","","","","","","","","","","","","","","","","","","Beyeranone","","CC1(CCCC2(C1CCC34C2CCC(C3)(C(=O)C4)C)C)C","PVGAAHIWPVFYJG-XZOPPUQASA-N","371706",NA,"PDBC32174","646155","Present"
-"Beyerol","","","","","","","","","","","","","","","","","","","","Beyerol","","CC12CCC(C(C1CCC34C2CCC(C3)(C=C4)CO)(C)CO)O","HMKFWGVTZPRBQX-QMNUTNMBSA-N","5352010",NA,"PDBC32175","83440","Present"
-"Biantrazole","","","","","","","","","","","","","","","","","","","","biantrazole","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC4=C3C2=NN4CCNCCO)NCCNCCO.Cl","GDNYMYIKZYXFET-UHFFFAOYSA-N","54607781",NA,"PDBC32176","357885","Present"
-"Bicyclo[10.2.0]tetradec-1(12)-en-13-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","","","","","","","","","","","","","","","","","","","Bicyclo[10.2.0]tetradec-1(12)-en-13-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone","","C1CCCCCC2=C(CCCC1)CC2=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","SSLOTPWGPBXIFX-QOCHGBHMSA-N","5908305",NA,"PDBC32177","683843","Present"
-"Bicyclo[2.2.1]hept-2-ene, 2-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","Bicyclo[2.2.1]hept-2-ene, 2-(4-methoxyphenyl)-","","COC1=CC=C(C=C1)C2=CC3CCC2C3","QSPDGDMAZQXOMM-UHFFFAOYSA-N","364259",NA,"PDBC32178","630258","Present"
-"Bicyclo[2.2.1]hept-2-yl 2-thienylmethylcarbamate","","","","","","","","","","","","","","","","","","","","Bicyclo[2.2.1]hept-2-yl 2-thienylmethylcarbamate","","C1CC2CC1CC2OC(=O)NCC3=CC=CS3","YSNYCQPSXGEJGK-UHFFFAOYSA-N","274501",NA,"PDBC32179","120571","Present"
-"Bicyclo[2.2.1]hept-5-en-2-yl(phenyl)methanol","","","","","","","","","","","","","","","","","","","","Bicyclo[2.2.1]hept-5-en-2-yl(phenyl)methanol","","C1C2CC(C1C=C2)C(C3=CC=CC=C3)O","DJEJUNPYGYWALI-UHFFFAOYSA-N","362198",NA,"PDBC32180","625796","Present"
-"Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","endic acid","","C1C2C=CC1C(C2C(=O)O)C(=O)O","NIDNOXCRFUCAKQ-UHFFFAOYSA-N","97965",NA,"PDBC32181","123024","Present"
-"Bicyclo[3.2.1]oct-3-en-2-one","","","","","","","","","","","","","","","","","","","","Bicyclo[3.2.1]oct-3-en-2-one","","C1CC2CC1C=CC2=O","PLUPRDSFMNHWTH-UHFFFAOYSA-N","376751",NA,"PDBC32182","657805","Present"
-"Bicyclo[3.2.1]oct-3-en-2-yl diethyl phosphate","","","","","","","","","","","","","","","","","","","","Bicyclo[3.2.1]oct-3-en-2-yl diethyl phosphate","","CCOP(=O)(OCC)OC1C=CC2CCC1C2","KKWKNCYOCDDSEV-UHFFFAOYSA-N","371768",NA,"PDBC32183","646211","Present"
-"Bicyclo[3.2.1]octan-2-one","","","","","","","","","","","","","","","","","","","","Bicyclo[3.2.1]oct-2-one","","C1CC2CC1CCC2=O","SXFPXZSENHPCSH-UHFFFAOYSA-N","107363",NA,"PDBC32184","657806","Present"
-"Bicyclo[3.3.1]non-2-en-9-ol","","","","","","","","","","","","","","","","","","","","Bicyclo[3.3.1]non-2-en-9-ol","","C1CC2CC=CC(C1)C2O","PGLXEGLAJQKZSQ-UHFFFAOYSA-N","361992",NA,"PDBC32185","625471","Present"
-"Bicyclo[3.3.1]non-6-en-3-ylmethanol","","","","","","","","","","","","","","","","","","","","Bicyclo[3.3.1]non-6-en-3-ylmethanol","","C1C=CC2CC1CC(C2)CO","CKHDILYRGJQNMT-UHFFFAOYSA-N","361990",NA,"PDBC32186","625469","Present"
-"Bicyclo[3.3.1]non-6-ene-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","FFRDKUOKEIXXRA-UHFFFAOYSA-N","","C1C=CC2CC1CC(C2)C(=O)O","FFRDKUOKEIXXRA-UHFFFAOYSA-N","361989",NA,"PDBC32187","625468","Present"
-"Bicyclo[3.3.1]nonane-1-carboxylic acid","","","","","","","","","","","","","","","","","","","","VGQJCBJXYSHVQD-UHFFFAOYSA-N","","C1CC2CCCC(C1)(C2)C(=O)O","VGQJCBJXYSHVQD-UHFFFAOYSA-N","362197",NA,"PDBC32188","625795","Present"
-"Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(2,4,6-trihydroxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(2,4,6-trihydroxyphenyl)methanone","","C1C(C2=CC=CC=C21)C(=O)C3=C(C=C(C=C3O)O)O","WWFNRAGJQWORDQ-UHFFFAOYSA-N","363746",NA,"PDBC32189","628937","Present"
-"Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(2-hydroxy-4,6-dimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(2-hydroxy-4,6-dimethoxyphenyl)methanone","","COC1=CC(=C(C(=C1)OC)C(=O)C2CC3=CC=CC=C23)O","SPSKNYGZVAFHMV-UHFFFAOYSA-N","363558",NA,"PDBC32190","628522","Present"
-"Bicyclomycin","","","","","","","","","","","","","","","","","","","","Bicozamycin","","CC(CO)(C(C12C(=O)NC(C(=C)CCO1)(C(=O)N2)O)O)O","WOUDXEYYJPOSNE-UHFFFAOYSA-N","426058",NA,"PDBC32191","180516","Present"
-"Biguanide, 1-isobutyl-, monohydrochloride","","","","","","","","","","","","","","","","","","","","iBuB hydrochloride","","CC(C)CN=C(N)N=C(N)N.Cl","BWWLZUBMTAKUKN-UHFFFAOYSA-N","13547",NA,"PDBC32192","140880","Present"
-"Bikaverin","","","","","","","","","","","","","","","","","","","","Bikaverin","","CC1=CC(=CC2=C1C(=O)C3=C(O2)C(=O)C4=C(C3=O)C(=CC(=C4O)OC)O)OC","QXNACSREWQXWCV-UHFFFAOYSA-N","36433",NA,"PDBC32193","215139","Present"
-"Bilanafos","","","","","","","","","","","","","","","","","","","","Bialaphos","","CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCP(=O)(C)O)N","GINJFDRNADDBIN-UHFFFAOYSA-N","116733",NA,"PDBC32194","626779","Present"
-"Bilopaque","","","","","","","","","","","","","","","","","","","","bilopac","","CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)O)I)I.[Na+]","KTVKGXZZBQCBGD-UHFFFAOYSA-N","24190394",NA,"PDBC32195","107434","Present"
-"Bindschedler's green","","","","","","","","","","","","","","","","","","","","Bindschedler's green","","CN(C)C1=CC=C(C=C1)N=C2C=CC(=[N+](C)C)C=C2.[Cl-]","IVNALXNJOCZGMK-UHFFFAOYSA-M","73516",NA,"PDBC32196","7811","Present"
-"Bio7F3","","","","","","","","","","","","","","","","","","","","Bio7F3","","C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]","XXYPDVRSHFSOFF-UHFFFAOYSA-N","317089",NA,"PDBC32197","246407","Present"
-"Bionet2_000691","","","","","","","","","","","","","","","","","","","","Bionet2_000691","","C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=C(C=C4)Cl)Cl","NNZCKBDKGWOHKF-UHFFFAOYSA-N","326320",NA,"PDBC32198","297360","Present"
-"Bionet2_001055","","","","","","","","","","","","","","","","","","","","Bionet2_001055","","CC1=CC(=NN1C2=C3C=CC(=CC3=NC=C2)Cl)C","NOWCXGQSJPMTNV-UHFFFAOYSA-N","365206",NA,"PDBC32199","632498","Present"
-"Biotin, .alpha.-methyl-","","","","","","","","","","","","","","","","","","","","Biotin, .alpha.-methyl-","","CC(CCCC1C2C(CS1)NC(=O)N2)C(=O)O","UBBSLIBPXCFHDN-UHFFFAOYSA-N","193131",NA,"PDBC32200","145151","Present"
-"Bipinnatin H","","","","","","","","","","","","","","","","","","","","Bipinnatin H","","CC1=C2C(C(CC(C3=CC(CC4(C(O4)C(=C1)O2)C)OC3=O)OC(=O)C)C5(CO5)C)OC(=O)C","ZKPQWDXTJKFKDU-UJGRFZKXSA-N","396365",NA,"PDBC32201","702308","Present"
-"Bipinnatin I","","","","","","","","","","","","","","","","","","","","Bipinnatin I","","CC1=C2C(C(CC(C3=CC(CC4(C(O4)C(=C1)O2)C)OC3=O)OC(=O)C)C(=C)C(=O)OC)OC(=O)C","DORQEQXBYZYXMV-PJHHFKFRSA-N","396366",NA,"PDBC32202","702309","Present"
-"Bipinnatin J","","","","","","","","","","","","","","","","","","","","Bipinnatin J","","CC1=CC2=CC(=C(O2)C(C(CCC3=CC(C1)OC3=O)C(=C)C)O)C","RCFMTOJVVOOMTO-PVUOXGCVSA-N","5470115",NA,"PDBC32203","697737","Present"
-"Bis 2,3H)-pyrimido tetrathiafulvalene, bis-(tetrabutylammonium) salt","","","","","","","","","","","","","","","","","","","","Bis 2,4-dioxo(1H,3H)-pyrimido tetrathiafulvalene, bis-(t...","","CCCC[N+](CCCC)(CCCC)CCCC.C12=C(NC(=O)NC1=O)SC(=C3SC4=C(N=C(N=C4S3)[O-])[O-])S2","UDZFNGFWKGYZPS-ILHSMLOTSA-L","24202447",NA,"PDBC32204","658470","Present"
-"Bis nor methyl bis deoxy flavoskyrin","","","","","","","","","","","","","","","","","","","","bis nor methyl bis deoxy flavoskyrin","","C1CC(=O)C2=C(C3=C(C=CC=C3O)C4=C2C1C5CCC(=O)C6=C(C7=C(C=CC=C7O)C(=O)C56O4)O)O","NICVSHMYWKALSU-LILSUQEXSA-N","24204451",NA,"PDBC32205","731927","Present"
-"Bis((3-pyridyl)methyl)amine","","","","","","","","","","","","","","","","","","","","Bis[(3-pyridyl)methyl]amine","","C1=CC(=CN=C1)CNCC2=CN=CC=C2","FEBQXMFOLRVSGC-UHFFFAOYSA-N","74257",NA,"PDBC32206","86140","Present"
-"Bis((4-chlorophenyl)thio)acetic acid","","","","","","","","","","","","","","","","","","","","Bis((4-chlorophenyl)thio)acetic acid","","C1=CC(=CC=C1SC(C(=O)O)SC2=CC=C(C=C2)Cl)Cl","USBNCBWTGNVEEO-UHFFFAOYSA-N","245251",NA,"PDBC32207","56975","Present"
-"Bis((diphenylphosphino)ethynyl)(phenyl)phosphine","","","","","","","","","","","","","","","","","","","","Bis((diphenylphosphino)ethynyl)(phenyl)phosphine","","C1=CC=C(C=C1)P(C#CP(C2=CC=CC=C2)C3=CC=CC=C3)C#CP(C4=CC=CC=C4)C5=CC=CC=C5","VMFVZCXWMPAYDX-UHFFFAOYSA-N","389884",NA,"PDBC32208","686512","Present"
-"Bis(1,3-benzodioxol-5-yl)methanol","","","","","","","","","","","","","","","","","","","","ZPLNNAGXAQXMKC-UHFFFAOYSA-N","","C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3)OCO4)O","ZPLNNAGXAQXMKC-UHFFFAOYSA-N","384225",NA,"PDBC32209","673630","Present"
-"Bis(1,3-dionato)bis(ethylen-1,2-diethyl-1-phenyl-2-phenolato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Bis(1,3-diphenylpropane-1,3-dionato)bis(ethylen-1,2-diet...","","CCC(=C(CC)C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)O.CCC(=C(CC)C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)O.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]","FNAUZMNHGKEEFT-KTLGJLLMSA-L","11979335",NA,"PDBC32210","639599","Present"
-"Bis(1,6-di-O-isopropylidene-3-olato-alpha-D-gluco furanose)bis(1-phenylbutane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Bis(1,2:5,6-di-O-isopropylidene-3-olato-.alpha.-D-gluco ...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)[O-])C.CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)[O-])C.[Ti+4]","HAYPUIGVPUQHHT-UHFFFAOYSA-N","24202333",NA,"PDBC32211","639100","Present"
-"Bis(1,7,7-trimethylnorbornan-2-yl) (E)-but-2-enedioate","","","","","","","","","","","","","","","","","","","","Bis(1,7,7-trimethylnorbornan-2-yl) (E)-but-2-enedioate","","CC1(C2CCC1(C(C2)OC(=O)C=CC(=O)OC3CC4CCC3(C4(C)C)C)C)C","WNUALMJGGJCCAZ-BQYQJAHWSA-N","5468961",NA,"PDBC32212","680223","Present"
-"Bis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","1-Adamanthyl 4-(2-difluoromethoxyphenyl)-2,6-dimethyl-1,...","","CC1=C(C(C(=C(N1)C)C(=O)OC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5OC(F)F)C(=O)OC67CC8CC(C6)CC(C8)C7","JPKRBGMUYHFBAA-UHFFFAOYSA-N","393568",NA,"PDBC32213","695637","Present"
-"Bis(1-benzhydryl-3-phenyl-2-aziridinyl)methanone","","","","","","","","","","","","","","","","","","","","bis(1-benzhydryl-3-phenyl-aziridin-2-yl)methanone","","C1=CC=C(C=C1)C2C(N2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5C(N5C(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","VMXIORJTDBSGRC-UHFFFAOYSA-N","373935",NA,"PDBC32214","650963","Present"
-"Bis(1-methyl-1H-imidazol-2-yl)(2-methylphenyl)methanol","","","","","","","","","","","","","","","","","","","","Bis(1-methyl-1H-imidazol-2-yl)(2-methylphenyl)methanol","","CC1=CC=CC=C1C(C2=NC=CN2C)(C3=NC=CN3C)O","KJSSUBWHYHHFTQ-UHFFFAOYSA-N","391169",NA,"PDBC32215","690012","Present"
-"Bis(1-phenylbutane-1,3-dionato)bis(pyridiumhydrochlor ide-2-ethanolato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Bis(1-phenylbutane-1,3-dionato)bis(pyridiumhydrochlor id...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=NC(=C1)CC[O-].C1=CC=NC(=C1)CC[O-].Cl.[Ti+4]","ATFNMZUKTOYRCY-UHFFFAOYSA-N","368300",NA,"PDBC32216","638845","Present"
-"Bis(1-phenylbutane-1,3-dionato)bis(thiophene-2-methanolato) titanium(IV)","","","","","","","","","","","","","","","","","","","","Bis(1-phenylbutane-1,3-dionato)bis(thiophene-2-methanola...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CSC(=C1)C[O-].C1=CSC(=C1)C[O-].[Ti+4]","VZSGIXUJWGRSQL-UHFFFAOYSA-N","367795",NA,"PDBC32217","637801","Present"
-"Bis(2,2-dihydroxyethyl) hydrogen phosphate","","","","","","","","","","","","","","","","","","","","Bis(2,2-dihydroxyethyl) hydrogen phosphate","","C(C(O)O)OP(=O)(O)OCC(O)O","UNIJAFGPQAOCTO-UHFFFAOYSA-N","371887",NA,"PDBC32218","646471","Present"
-"Bis(2,4,6-trichloro-3-(dodecanoyloxy)phenyl) oxalate","","","","","","","","","","","","","","","","","","","","Bis(2,4,6-trichloro-3-(dodecanoyloxy)phenyl) oxalate","","CCCCCCCCCCCC(=O)OC1=C(C(=C(C=C1Cl)Cl)OC(=O)C(=O)OC2=C(C=C(C(=C2Cl)OC(=O)CCCCCCCCCCC)Cl)Cl)Cl","RQPPARLRHSGJLY-UHFFFAOYSA-N","383325",NA,"PDBC32219","671434","Present"
-"Bis(2,4-diamino-5-methylphenyl)methane","","","","","","","","","","","","","","","","","","","","tetraaminoditolylmethane","","CC1=CC(=C(C=C1N)N)CC2=C(C=C(C(=C2)C)N)N","HGVQBXSOAUVVNX-UHFFFAOYSA-N","66799",NA,"PDBC32220","7215","Present"
-"Bis(2,4-dibromo-6-(phenoxycarbonyl)phenyl) oxalate","","","","","","","","","","","","","","","","","","","","Bis(2,4-dibromo-6-(phenoxycarbonyl)phenyl) oxalate","","C1=CC=C(C=C1)OC(=O)C2=C(C(=CC(=C2)Br)Br)OC(=O)C(=O)OC3=C(C=C(C=C3Br)Br)C(=O)OC4=CC=CC=C4","NGSQQXLEYROKEJ-UHFFFAOYSA-N","383326",NA,"PDBC32221","671435","Present"
-"Bis(2,4-dichlorophenyl)iodanium;hydrochloride","","","","","","","","","","","","","","","","","","","","Bis(2,4-dichlorophenyl)iodanium;hydrochloride","","C1=CC(=C(C=C1Cl)Cl)[I+]C2=C(C=C(C=C2)Cl)Cl.Cl","VWMVVFFLQCUGKR-UHFFFAOYSA-N","54609885",NA,"PDBC32222","75474","Present"
-"Bis(2,4-dimethoxyphenyl)diselenide","","","","","","","","","","","","","","","","","","","","Bis(2,4-dimethoxyphenyl)diselenide","","COC1=CC(=C(C=C1)[Se][Se]C2=C(C=C(C=C2)OC)OC)OC","WEEVNOXMHRQLEA-UHFFFAOYSA-N","365241",NA,"PDBC32223","632606","Present"
-"Bis(2-(((cyclohexylamino)carbonyl)amino)ethyl) carbonate","","","","","","","","","","","","","","","","","","","","Bis(2-(((cyclohexylamino)carbonyl)amino)ethyl) carbonate","","C1CCC(CC1)NC(=O)NCCOC(=O)OCCNC(=O)NC2CCCCC2","LCNYZDYSPPMNQH-UHFFFAOYSA-N","379526",NA,"PDBC32224","664188","Present"
-"Bis(2-((1-aziridinylcarbonyl)amino)ethyl) carbonate","","","","","","","","","","","","","","","","","","","","Bis(2-((1-aziridinylcarbonyl)amino)ethyl) carbonate","","C1CN1C(=O)NCCOC(=O)OCCNC(=O)N2CC2","HRTWOWOZWGUBGC-UHFFFAOYSA-N","379527",NA,"PDBC32225","664189","Present"
-"Bis(2-(1,3-diphenyl-1H-1,2,4-triazol-5-yl)phenyl) disulfide","","","","","","","","","","","","","","","","","","","","Bis(2-(1,3-diphenyl-1H-1,2,4-triazol-5-yl)phenyl) disulfide","","C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3SSC4=CC=CC=C4C5=NC(=NN5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","PRTRXZYUCZQMAP-UHFFFAOYSA-N","379771",NA,"PDBC32226","664745","Present"
-"Bis(2-Nitrophenyl)sulfilimine, [1:1]","","","","","","","","","","","","","","","","","","","","bis(2-Nitrophenyl)sulfilimine, hydrochloride, [1:1]","","C1=CC=C(C(=C1)[N+](=O)[O-])S(=N)C2=CC=CC=C2[N+](=O)[O-].Cl","OHZJQUDKDOCLFK-UHFFFAOYSA-N","371948",NA,"PDBC32227","646700","Present"
-"Bis(2-benzoyl-1,3-indanedionato)cobalt(II)dihydrate","","","","","","","","","","","","","","","","","","","","Bis(2-benzoyl-1,3-indanedionato)cobalt(II)dihydrate","","C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Co+2]","OLDKHPSJKLJMQF-UHFFFAOYSA-L","365310",NA,"PDBC32228","632873","Present"
-"Bis(2-benzoyl-1,3-indanedionato)iron(II)-dihydrate","","","","","","","","","","","","","","","","","","","","Bis(2-benzoyl-1,3-indanedionato)iron(II)- dihydrate","","C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Fe+2]","VFMJSIXWQJEIDK-UHFFFAOYSA-L","365264",NA,"PDBC32229","632817","Present"
-"Bis(2-benzoyl-1,3-indanedionato)manganese(II)dihydrate","","","","","","","","","","","","","","","","","","","","Bis(2-benzoyl-1,3-indanedionato)manganese(II)dihydrate","","C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Mn+2]","GXJOHWYUYVOKMU-UHFFFAOYSA-L","6711620",NA,"PDBC32230","632816","Present"
-"Bis(2-benzoyl-1,3-indanedionato)nickel(II)dihydrate","","","","","","","","","","","","","","","","","","","","Bis(2-benzoyl-1,3-indanedionato)nickel(II)dihydrate","","C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Ni+2]","QGPYKHMFKVHZQG-UHFFFAOYSA-L","6711619",NA,"PDBC32231","632814","Present"
-"Bis(2-bromo-2-propenyl)cyanamide","","","","","","","","","","","","","","","","","","","","bis(2-bromoallyl)cyanamide","","C=C(CN(CC(=C)Br)C#N)Br","DWJXPPTZAASZMF-UHFFFAOYSA-N","379665",NA,"PDBC32232","664543","Present"
-"Bis(2-bromoallyl)amine","","","","","","","","","","","","","","","","","","","","Bis(2-bromoallyl)amine","","C=C(CNCC(=C)Br)Br","PHYKIFWOKYSDOE-UHFFFAOYSA-N","379667",NA,"PDBC32233","664545","Present"
-"Bis(2-carboxyphenyl)diselenide","","","","","","","","","","","","","","","","","","","","2,2'-Dicarboxy-diphenyl-diselenide","","C1=CC=C(C(=C1)C(=O)O)[Se][Se]C2=CC=CC=C2C(=O)O","KQOVQKHBCWQFCJ-UHFFFAOYSA-N","23012",NA,"PDBC32234","632603","Present"
-"Bis(2-chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl) disulfide","","","","","","","","","","","","","","","","","","","","Bis(2-chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl) disulfide","","C1C(C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl)SSC4CC5=C(C=CC(=C5)Cl)S(=O)C6=CC=CC=C46","HDJWIAKCZPDXOF-UHFFFAOYSA-N","372834",NA,"PDBC32235","648492","Present"
-"Bis(2-chloroethyl)-N-4-methoxy-2-nitrobenzyl-N-methyl ammonium chloride","","","","","","","","","","","","","","","","","","","","Bis(2-chloroethyl)-N-4-methoxy-2-nitrobenzyl-N-methyl am...","","C[N+](CCCl)(CCCl)CC1=C(C=C(C=C1)OC)[N+](=O)[O-].[Cl-]","INKDJKABBMZXAU-UHFFFAOYSA-M","380946",NA,"PDBC32236","666732","Present"
-"Bis(2-chloroethyl)-N-methyl-N(3-methoxy-2-nitrobenzyl) ammonium chloride","","","","","","","","","","","","","","","","","","","","Bis(2-chloroethyl)-N-methyl-N(3-methoxy-2-nitrobenzyl) a...","","C[N+](CCCl)(CCCl)CC1=C(C(=CC=C1)OC)[N+](=O)[O-].[Cl-]","QPSICOOQCRTECT-UHFFFAOYSA-M","379101",NA,"PDBC32237","663314","Present"
-"Bis(2-chloroethyl)-N-methyl-N-(3-methyl-2-nitrobenzyl)ammonium chloride","","","","","","","","","","","","","","","","","","","","Bis(2-chloroethyl)-N-methyl-N-(3-methyl-2-nitrobenzyl)am...","","CC1=C(C(=CC=C1)C[N+](C)(CCCl)CCCl)[N+](=O)[O-].[Cl-]","OCZXJFKIICRYLZ-UHFFFAOYSA-M","377474",NA,"PDBC32238","658929","Present"
-"Bis(2-chloroethyl)-N-methyl-N-(5-methoxy-2-nitrobenzyl) ammonium chloride","","","","","","","","","","","","","","","","","","","","Bis(2-chloroethyl)-N-methyl-N-(5-methoxy-2-nitrobenzyl) ...","","C[N+](CCCl)(CCCl)CC1=C(C=CC(=C1)OC)[N+](=O)[O-].[Cl-]","GZUCUFHHIVTWDB-UHFFFAOYSA-M","379103",NA,"PDBC32239","663315","Present"
-"Bis(2-chloroethyl)-N-methyl-N-(5-methyl-2-nitrobenzyl) ammonium chloride","","","","","","","","","","","","","","","","","","","","Bis(2-chloroethyl)-N-methyl-N-(5-methyl-2-nitrobenzyl) a...","","CC1=CC(=C(C=C1)[N+](=O)[O-])C[N+](C)(CCCl)CCCl.[Cl-]","ISZVFCDIKRANOB-UHFFFAOYSA-M","377472",NA,"PDBC32240","658928","Present"
-"Bis(2-chloroethyl)-N-methyl-N[(8-nitro-1-naphthyl)-methyl]ammonium chloride","","","","","","","","","","","","","","","","","","","","Bis(2-chloroethyl)-N-methyl-N[(8-nitro-1-naphthyl)-methy...","","C[N+](CCCl)(CCCl)CC1=CC=CC2=C1C(=CC=C2)[N+](=O)[O-].[Cl-]","KFVWZSYPJQKGDR-UHFFFAOYSA-M","379487",NA,"PDBC32241","664150","Present"
-"Bis(2-hydroxybenzal)acetone, disodium pentahydrate salt","","","","","","","","","","","","","","","","","","","","Bis(2-hydroxybenzal)acetone, disodium pentahydrate salt","","C1=CC=C(C(=C1)C=CC(=O)C=CC2=CC=CC=C2O)O.[Na+]","ABUIJEVGXRLMOW-NVUWAARKSA-N","54611557",NA,"PDBC32242","722216","Present"
-"Bis(2-hydroxyethyl)-oxido-(7H-purin-6-yl)azanium","","","","","","","","","","","","","","","","","","","","Bis(2-hydroxyethyl)-oxido-(7H-purin-6-yl)azanium","","C1=NC2=C(N1)C(=NC=N2)[N+](CCO)(CCO)[O-]","UJDFXVHYPPPZCS-UHFFFAOYSA-N","5351837",NA,"PDBC32243","57850","Present"
-"Bis(2-methoxy-4-methylphenyl)methanone","","","","","","","","","","","","","","","","","","","","Bis(2-methoxy-4-methylphenyl)methanone","","CC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)C)OC)OC","MURHDPXRYLOCLY-UHFFFAOYSA-N","285885",NA,"PDBC32244","143532","Present"
-"Bis(2-methoxy-5-nitrophenyl)iodanium;bromide","","","","","","","","","","","","","","","","","","","","Bis(2-methoxy-5-nitrophenyl)iodanium;bromide","","COC1=C(C=C(C=C1)[N+](=O)[O-])[I+]C2=C(C=CC(=C2)[N+](=O)[O-])OC.[Br-]","XYCGNDHPWKSJED-UHFFFAOYSA-M","24190303",NA,"PDBC32245","106648","Present"
-"Bis(2-methoxynaphtyle)selenide","","","","","","","","","","","","","","","","","","","","Bis(2-methoxynaphtyle)selenide","","COC1=CC2=C(C=C1)C=CC(=C2)[Se]C3=CC4=C(C=CC(=C4)OC)C=C3","XVNMVBRIYWICML-UHFFFAOYSA-N","365240",NA,"PDBC32246","632605","Present"
-"Bis(2-nitro-4-(trifluoromethyl)phenyl)sulfane","","","","","","","","","","","","","","","","","","","","STK213636","","C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]","JZOKZEROYRPYIF-UHFFFAOYSA-N","236554",NA,"PDBC32247","39135","Present"
-"Bis(2-nitrophenyl)sulfone","","","","","","","","","","","","","","","","","","","","Benzene, 1,1'-sulfonylbis(2-nitro-","","C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","IHZVFZOUXUNSPQ-UHFFFAOYSA-N","365388",NA,"PDBC32248","633001","Present"
-"Bis(2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl) sulfide","","","","","","","","","","","","","","","","","","","","Bis(2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl) sulfide","","C1=CC=C(C=C1)C2=NC(=C(O2)SC3=C(N=C(O3)C4=CC=CC=C4)C(F)(F)F)C(F)(F)F","HXQKNAUXMSXXHO-UHFFFAOYSA-N","362771",NA,"PDBC32249","627052","Present"
-"Bis(3,3-dio nato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Bis(3,4-methylenedioxyphenolato)bis(1-phenylbutane-1,3-d...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1OC2=C(O1)C=C(C=C2)[O-].C1OC2=C(O1)C=C(C=C2)[O-].[Ti+4]","DCHNZDJLJBCTPV-UHFFFAOYSA-L","24202321",NA,"PDBC32250","638734","Present"
-"Bis(3-hydroxypropionic acid)(7Z,15Z)-7,15-tetracosadiene-1,24-diyl ester","","","","","","","","","","","","","","","","","","","","[(9Z,17Z)-24-(3-Hydroxypropanoyloxy)tetracosa-9,17-dienyl] 3-hydroxypropanoate","","C(CCCCOC(=O)CCO)CCCC=CCCCCCCC=CCCCCCCOC(=O)CCO","DCXZDDNUTNOVOS-PSVOIDRLSA-N","5471233",NA,"PDBC32251","709852","Present"
-"Bis(3-phenyl-2H-chromen-2-yl) ether","","","","","","","","","","","","","","","","","","","","Bis(3-phenyl-2H-chromen-2-yl) ether","","C1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2OC4C(=CC5=CC=CC=C5O4)C6=CC=CC=C6","YAKDOYHRLNCZJM-UHFFFAOYSA-N","370623",NA,"PDBC32252","643916","Present"
-"Bis(4,5-benzotropolonato)dioxouranium(VI)","","","","","","","","","","","","","","","","","","","","Bis(4,5-benzotropolonato)dioxouranium(VI)","","C1=CC=C2C=C(C(=O)C=CC2=C1)[O-].C1=CC=C2C=C(C(=O)C=CC2=C1)[O-].O=[U+2]=O","HVUVAKLTSKREOR-UHFFFAOYSA-L","366866",NA,"PDBC32253","635903","Present"
-"Bis(4-amino-3-bromophenyl)methanone","","","","","","","","","","","","","","","","","","","","Bis(4-amino-3-bromophenyl)methanone","","C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)Br)Br)N","DGQOTSSECYSWIZ-UHFFFAOYSA-N","220951",NA,"PDBC32254","4518","Present"
-"Bis(4-bromophenyl)iodanium;hydroiodide","","","","","","","","","","","","","","","","","","","","Bis(4-bromophenyl)iodanium;hydroiodide","","C1=CC(=CC=C1Br)[I+]C2=CC=C(C=C2)Br.I","YFAMUFPIZXTBHX-UHFFFAOYSA-N","54609012",NA,"PDBC32255","8974","Present"
-"Bis(4-carboxyphenyl)diselenide","","","","","","","","","","","","","","","","","","","","Bis(4-carboxyphenyl)diselenide","","C1=CC(=CC=C1C(=O)O)[Se][Se]C2=CC=C(C=C2)C(=O)O","FBPGMBHXJYLHRA-UHFFFAOYSA-N","364988",NA,"PDBC32256","631891","Present"
-"Bis(4-chloromethyl-2,5-dimethylthien-3-yl)methane","","","","","","","","","","","","","","","","","","","","Bis(4-chloromethyl-2,5-dimethylthien-3-yl)methane","","CC1=C(C(=C(S1)C)CCl)CC2=C(SC(=C2CCl)C)C","TZFDFYPEDJUAJT-UHFFFAOYSA-N","2778203",NA,"PDBC32257","736975","Present"
-"Bis(4-chlorophenyl) 1-((4-methylphenyl)sulfonyl)-1,2-hydrazinedicarboximidoate","","","","","","","","","","","","","","","","","","","","Bis(4-chlorophenyl) 1-((4-methylphenyl)sulfonyl)-1,2-hydrazinedicarboximidoate","","CC1=CC=C(C=C1)S(=O)(=O)N(C(=N)OC2=CC=C(C=C2)Cl)N=C(N)OC3=CC=C(C=C3)Cl","WFOUZANKGWDKPM-UHFFFAOYSA-N","9570053",NA,"PDBC32258","636369","Present"
-"Bis(4-chlorophenyl) carbonotrithioate","","","","","","","","","","","","","","","","","","","","Bis(4-chlorophenyl) carbonotrithioate","","C1=CC(=CC=C1SC(=S)SC2=CC=C(C=C2)Cl)Cl","GUUHSHAWOOMFMF-UHFFFAOYSA-N","269665",NA,"PDBC32259","111118","Present"
-"Bis(4-chlorophenyl)((4,6-dimercapto-1,3,5-triazin-2-yl)oxy)acetic acid","","","","","","","","","","","","","","","","","","","","Bis(4-chlorophenyl)((4,6-dimercapto-1,3,5-triazin-2-yl)oxy)acetic acid","","C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(=O)O)OC3=NC(=S)NC(=S)N3)Cl","MCXPIOKGQAXUJW-UHFFFAOYSA-N","3246680",NA,"PDBC32260","372618","Present"
-"Bis(4-chlorophenyl)(methyl)phenylphosphanium iodide","","","","","","","","","","","","","","","","","","","","Bis(4-chlorophenyl)(methyl)phenylphosphanium iodide","","C[P+](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.[I-]","RKXRMWRCNNNAKR-UHFFFAOYSA-M","24195814",NA,"PDBC32261","201724","Present"
-"Bis(4-ethoxyphenyl)diselenide","","","","","","","","","","","","","","","","","","","","Bis(4-ethoxyphenyl)diselenide","","CCOC1=CC=C(C=C1)[Se][Se]C2=CC=C(C=C2)OCC","KVQSJRYUTOLTQJ-UHFFFAOYSA-N","364987",NA,"PDBC32262","631890","Present"
-"Bis(4-hydroxy-3-nitrophenyl)methanone","","","","","","","","","","","","","","","","","","","","4,4'-Dihydroxy-3,3'-dinitrobenzophenone","","C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O","AABHPMAMDHAYRG-UHFFFAOYSA-N","391007",NA,"PDBC32263","689414","Present"
-"Bis(4-methyl-2-nitrophenyl)sulfide","","","","","","","","","","","","","","","","","","","","Bis(4Me2NO2Ph)S","","CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]","MOZORIAOSRTCOV-UHFFFAOYSA-N","365385",NA,"PDBC32264","632998","Present"
-"Bis(4-methylphenyl)-pyridin-2-ylmethanol","","","","","","","","","","","","","","","","","","","","Bis(4-methylphenyl)-pyridin-2-ylmethanol","","CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=CC=CC=N3)O","FPIMNMKNIFZJKX-UHFFFAOYSA-N","230499",NA,"PDBC32265","25443","Present"
-"Bis(4-methylpiperazin-1-yl)methanethione","","","","","","","","","","","","","","","","","","","","Methanethione, bis(4-methyl-1-piperazinyl)-","","CN1CCN(CC1)C(=S)N2CCN(CC2)C","YOQNUVVBKQRVKO-UHFFFAOYSA-N","388906",NA,"PDBC32266","684142","Present"
-"Bis(4-nitroimidazolium)-[pentachloro-4-nitroimidazole- r...","","","","","","","","","","","","","","","","","","","","Bis(4-nitroimidazolium)-[pentachloro-4-nitroimidazole- r...","","","","",NA,"PDBC32267","631482","Present"
-"Bis(4-phenylpiperazin-1-yl)methanethione","","","","","","","","","","","","","","","","","","","","1,1'-carbonothioylbis(4-phenylpiperazine)","","C1CN(CCN1C2=CC=CC=C2)C(=S)N3CCN(CC3)C4=CC=CC=C4","TVQYLRTUDCRHAU-UHFFFAOYSA-N","388907",NA,"PDBC32268","684143","Present"
-"Bis(4-potassiumsulfonatophenyl)diselenide-dihydrate","","","","","","","","","","","","","","","","","","","","Bis(4-potassiumsulfonatophenyl)diselenide-dihydrate","","C1=CC(=CC=C1S(=O)(=O)O)[Se][Se]C2=CC=C(C=C2)S(=O)(=O)O.[K+]","HKCPPCGLWOBWGO-UHFFFAOYSA-N","54608914",NA,"PDBC32269","631892","Present"
-"Bis(4-pyridylmethyl) 2,6-dimethyl-4-(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Bis(4-pyridylmethyl)-4-[2-(3-methyl-5,6-dihydro-1,4-dith...","","CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=NC=C2)C3=C(SCCS3)C)C(=O)OCC4=CC=NC=C4","WKCXIRURXIDOND-UHFFFAOYSA-N","164220",NA,"PDBC32270","658990","Present"
-"Bis(4-sulfosalicylideneaniline)cobalt(II)","","","","","","","","","","","","","","","","","","","","Bis(4-sulfosalicylideneaniline)cobalt(II)","","C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)S(=O)(=O)[O-])[O-].C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)S(=O)(=O)[O-])[O-].[Co+2]","LOCOLSFTVSVYTL-UHFFFAOYSA-J","24202176",NA,"PDBC32271","631459","Present"
-"Bis(4-tert-butyl-2-methylsulfanylphenyl)methanol","","","","","","","","","","","","","","","","","","","","Bis(4-tert-butyl-2-methylsulfanylphenyl)methanol","","CC(C)(C)C1=CC(=C(C=C1)C(C2=C(C=C(C=C2)C(C)(C)C)SC)O)SC","ROXUBYKVWXVXCJ-UHFFFAOYSA-N","357628",NA,"PDBC32272","617152","Present"
-"Bis(4-tert-butylphenyl)iodanium;hydrochloride","","","","","","","","","","","","","","","","","","","","Bis(4-tert-butylphenyl)iodanium;hydrochloride","","CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.Cl","JHPUIEDIXRYPTP-UHFFFAOYSA-N","54602012",NA,"PDBC32273","8994","Present"
-"Bis(4-tert-butylphenyl)methanol","","","","","","","","","","","","","","","","","","","","Bis(4-(tert-butyl)phenyl)methanol","","CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)O","YROADUBOXHBRDA-UHFFFAOYSA-N","357627",NA,"PDBC32274","617151","Present"
-"Bis(4-{[(1E)-(2-hydroxyphenyl)methylene]amino}phenyl)methanone","","","","","","","","","","","","","","","","","","","","Bis(4-{[(1E)-(2-hydroxyphenyl)methylene]amino}phenyl)methanone","","C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4O)O","FORBLOQNRWCGFE-UHFFFAOYSA-N","395813",NA,"PDBC32275","700701","Present"
-"Bis(5-(2,2-bis(5-(bis(4-tert-butylphenyl)(methoxy)methyl)-2,4-dimethylphenyl)-2-methoxyethyl)-2,4-dimethylphenyl)(4-tert-butylphenyl)methanol","","","","","","","","","","","","","","","","","","","","Bis[5-[2,2-bis[5-[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylphenyl]-2-methoxyethyl]-2,4-dimethylphenyl]-(4-tert-butylphenyl)methanol","","CC1=CC(=C(C=C1CC(C2=CC(=C(C=C2C)C)C(C3=CC=C(C=C3)C(C)(C)C)(C4=CC=C(C=C4)C(C)(C)C)OC)(C5=CC(=C(C=C5C)C)C(C6=CC=C(C=C6)C(C)(C)C)(C7=CC=C(C=C7)C(C)(C)C)OC)OC)C(C8=CC=C(C=C8)C(C)(C)C)(C9=C(C=C(C(=C9)CC(C1=CC(=C(C=C1C)C)C(C1=CC=C(C=C1)C(C)(C)C)(C1=CC=C(C=C1)C(C)(C)C)OC)(C1=CC(=C(C=C1C)C)C(C1=CC=C(C=C1)C(C)(C)C)(C1=CC=C(C=C1)C(C)(C)C)OC)OC)C)C)O)C","QSFPNNHCYZDCAP-UHFFFAOYSA-N","16129819",NA,"PDBC32276","682798","Present"
-"Bis(5-bromo-2-hydroxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","TX-012257","","C1=CC(=C(C=C1Br)C(=O)C2=C(C=CC(=C2)Br)O)O","VRLIJNKTPYPWQI-UHFFFAOYSA-N","221012",NA,"PDBC32277","4631","Present"
-"Bis(5-chloro-2-((2-(3-chlorophenoxy)-1H-imidazol-1-yl)sulfonyl)-4-methylphenyl) disulfide","","","","","","","","","","","","","","","","","","","","Bis(5-chloro-2-((2-(3-chlorophenoxy)-1H-imidazol-1-yl)sulfonyl)-4-methylphenyl) disulfide","","CC1=CC(=C(C=C1Cl)SSC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)N3C=CN=C3OC4=CC(=CC=C4)Cl)S(=O)(=O)N5C=CN=C5OC6=CC(=CC=C6)Cl","UNNAWFSQMXXURP-UHFFFAOYSA-N","393934",NA,"PDBC32278","696906","Present"
-"Bis(5-chloro-4-methyl-2-((2-phenoxy-1H-imidazol-1-yl)sulfonyl)phenyl) disulfide","","","","","","","","","","","","","","","","","","","","Bis(5-chloro-4-methyl-2-((2-phenoxy-1H-imidazol-1-yl)sulfonyl)phenyl) disulfide","","CC1=CC(=C(C=C1Cl)SSC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)N3C=CN=C3OC4=CC=CC=C4)S(=O)(=O)N5C=CN=C5OC6=CC=CC=C6","AFZPENALDCLFDL-UHFFFAOYSA-N","393933",NA,"PDBC32279","696905","Present"
-"Bis(5-cholestene-3beta-olato)bis(1-phenylbutane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Bis(5-cholestene-3.beta.-olato)bis(1-phenylbutane-1,3- d...","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","JURMUSJPWLJEHF-NRFYLTCHSA-N","368273",NA,"PDBC32280","638733","Present"
-"Bis(5-methyl-1H-1,2,4-triazole-3-yl)methane","","","","","","","","","","","","","","","","","","","","Bis(5-methyl-1H-1,2,4-triazole-3-yl)methane","","CC1=NC(=NN1)CC2=NNC(=N2)C","ZSGFOXSLSMSYCI-UHFFFAOYSA-N","390145",NA,"PDBC32281","687213","Present"
-"Bis(8-chloro-6-(2-fluorophenyl)pyrrolo[3,4-d][2]benzazepin-2(4H)-yl)-N,N-dimethylmethanamine","","","","","","","","","","","","","","","","","","","","Bis(8-chloro-6-(2-fluorophenyl)pyrrolo[3,4-d][2]benzazepin-2(4H)-yl)-N,N-dimethylmethanamine","","CN(C)C(N1C=C2CN=C(C3=C(C2=C1)C=CC(=C3)Cl)C4=CC=CC=C4F)N5C=C6CN=C(C7=C(C6=C5)C=CC(=C7)Cl)C8=CC=CC=C8F","DFHWUWIOMAVDCH-UHFFFAOYSA-N","356626",NA,"PDBC32282","613238","Present"
-"Bis(8-quinolyloxy)-divinyl-stannane","","","","","","","","","","","","","","","","","","","","Bis(8-quinolyloxy)-divinyl-stannane","","C=C[Sn](C=C)(OC1=CC=CC2=C1N=CC=C2)OC3=CC=CC4=C3N=CC=C4","DDASWQGZVMLOSU-UHFFFAOYSA-L","16683149",NA,"PDBC32283","628593","Present"
-"Bis(8-quinolylsulfanyl)-divinyl-stannane","","","","","","","","","","","","","","","","","","","","Bis(8-quinolylsulfanyl)-divinyl-stannane","","C=C[Sn](C=C)(SC1=CC=CC2=C1N=CC=C2)SC3=CC=CC4=C3N=CC=C4","MCSOMHUOVIBKIY-UHFFFAOYSA-L","9569949",NA,"PDBC32284","628594","Present"
-"Bis(N,3-dionato)titanium(IV)-dihydrochloride","","","","","","","","","","","","","","","","","","","","Bis(N,N-dimethyl-4-aminophenolato)bis(1-phenylbutane-1,3...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].Cl.[Ti+4]","WDOPMQMMARKOAE-UHFFFAOYSA-L","11979334",NA,"PDBC32285","638742","Present"
-"Bis(N-methylcarbamic acid)[1-methyl-2-(ethylthio)-1H-imidazole-4,5-diyl]bismethylene ester","","","","","","","","","","","","","","","","","","","","[2-Ethylsulfanyl-1-methyl-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate","","CCSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC","AFBGHNCPZKUANB-UHFFFAOYSA-N","361109",NA,"PDBC32286","623918","Present"
-"Bis(N-methylcarbamic acid)[1-methyl-2-(methylsulfinyl)-1H-imidazole-4,5-diyl]bismethylene ester","","","","","","","","","","","","","","","","","","","","[1-Methyl-2-(methylsulfinyl)-1H-imidazole-4,5-diyl]dimethanediyl bis(methylcarbamate)","","CNC(=O)OCC1=C(N(C(=N1)S(=O)C)C)COC(=O)NC","NRFPJXGEYXQGFP-UHFFFAOYSA-N","361112",NA,"PDBC32287","623921","Present"
-"Bis(N-methylcarbamic acid)[1-methyl-2-(propylsulfinyl)-1H-imidazole-4,5-diyl]bismethylene ester","","","","","","","","","","","","","","","","","","","","[1-Methyl-2-(propylsulfinyl)-1H-imidazole-4,5-diyl]dimethanediyl bis(methylcarbamate)","","CCCS(=O)C1=NC(=C(N1C)COC(=O)NC)COC(=O)NC","HPKGPJWDFVGLQL-UHFFFAOYSA-N","361113",NA,"PDBC32288","623923","Present"
-"Bis(N-methylen-(methoxycarbonyl)-3-dioxy-7alpha,12alpha-diacetoxy-5beta-cholan-24-amide)","","","","","","","","","","","","","","","","","","","","Bis(N-methylen-(methoxycarbonyl)-3-dioxy-7.alpha.,12.alp...","","CC(CCC(=O)NCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)NCC(=O)OC)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C","XYLMYWIQJPZHDM-OIHFVRGOSA-N","404220",NA,"PDBC32289","720388","Present"
-"Bis(O-demethylmurrayafoline A)","","","","","","","","","","","","","","","","","","","","2-(1-Hydroxy-3-methyl-9H-carbazol-2-yl)-3-methyl-9H-carbazol-1-ol","","CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C5=CC=CC=C5N4)O)O)NC6=CC=CC=C62","OBYMXIXWIULNKR-UHFFFAOYSA-N","6712793",NA,"PDBC32290","713163","Present"
-"Bis(Perfluorobutylsulfonyl)methylenephenyliodine","","","","","","","","","","","","","","","","","","","","JSICGBRQXBLHDU-UHFFFAOYSA-N","","C1=CC=C(C=C1)I=C(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","JSICGBRQXBLHDU-UHFFFAOYSA-N","384396",NA,"PDBC32291","674120","Present"
-"Bis(carboxydiphenylmethanolato)bis(1-phenylbutane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Bis(carboxydiphenylmethanolato)bis(1-phenylbutane-1,3- d...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[O-].[Ti+4]","WSNATHJNXHSFDH-UHFFFAOYSA-L","24202319",NA,"PDBC32292","638385","Present"
-"Bis(chinoline-5-sulfo-8-olato)bis(2,3-dioxane-4,6-dionato)titanium(IV)-teraaquo","","","","","","","","","","","","","","","","","","","","Bis(chinoline-5-sulfo-8-olato)bis(2,2-dimethyl- 1,3-diox...","","CC1(OC(=CC(=O)O1)[O-])C.CC1(OC(=CC(=O)O1)[O-])C.C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].[Ti+4]","LZYFIZULFBKBJH-UHFFFAOYSA-H","24202328",NA,"PDBC32293","638848","Present"
-"Bis(cis-cyclohexane-1,O2,O3,O4)diplatinum(II)-dhydrate","","","","","","","","","","","","","","","","","","","","Bis(cis-cyclohexane-1,3-diamine)(.mu.-carbonyldiphosphon...","","C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.C(=O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Pt+4].[Pt+4]","XMSGMRZPONYPKQ-HCKZUOKGSA-J","24202409",NA,"PDBC32294","647063","Present"
-"Bis(diaminomethylidene)azanium;styrene","","","","","","","","","","","","","","","","","","","","NSC372160","","C=CC1=CC=CC=C1.C(=[N+]=C(N)N)(N)N","JVCPLBCZZAJGMU-UHFFFAOYSA-O","54600622",NA,"PDBC32295","372160","Present"
-"Bis(dibenzylamino)methylideneurea;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC650958","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=NC(=O)N)N(CC3=CC=CC=C3)CC4=CC=CC=C4.Cl","GIUQCRVYZXDHAD-UHFFFAOYSA-N","373929",NA,"PDBC32296","650958","Present"
-"Bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","Bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate","","CCN(CC)C(=S)S[Bi](SC(=S)N(CC)CC)SC(=S)N(CC)CC","YTLFVJABOBHSFS-UHFFFAOYSA-K","273108",NA,"PDBC32297","118051","Present"
-"Bis(dimethylamino)-ethyl-phenylphosphanium;iodide","","","","","","","","","","","","","","","","","","","","NSC678494","","CC[P+](C1=CC=CC=C1)(N(C)C)N(C)C.[I-]","QPLQJEKFVQCYGC-UHFFFAOYSA-M","386467",NA,"PDBC32298","678494","Present"
-"Bis(dimethylamino)glyoxime","","","","","","","","","","","","","","","","","","","","NSC622661","","CN(C)C(=NO)C(=NO)N(C)C","DJBGDNBFQRRQCX-KQQUZDAGSA-N","135510062",NA,"PDBC32299","622661","Present"
-"Bis(dimethylglyoxime)palladium","","","","","","","","","","","","","","","","","","","","bis(dimethylglyoxime)palladium","","CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.[Pd]","DVTACKYOQLNVFG-BVHINDLDSA-N","135539500",NA,"PDBC32300","165682","Present"
-"Bis(dinitropropyl)thiocarbonate","","","","","","","","","","","","","","","","","","","","Bis(dinitropropyl)thiocarbonate","","CC(COC(=S)OCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","LQWOYVONCHRVBI-UHFFFAOYSA-N","385940",NA,"PDBC32301","677412","Present"
-"Bis(flavone-3,7-trihydroxy-2',4'-diolato) titanium(IV)-tetrahydrate","","","","","","","","","","","","","","","","","","","","Bis(flavone-3,5,7-trihydroxy-2',4'-diolato) titanium(IV)...","","C1=CC(=C(C=C1O)[O-])C2=C(C(=O)C3=C(C=C(C=C3O2)O)[O-])[OH2+].C1=CC(=C(C=C1O)[O-])C2=C(C(=O)C3=C(C=C(C=C3O2)O)[O-])[OH2+].[Ti+4]","DXPOBPZVYCBMHD-UHFFFAOYSA-L","54608928",NA,"PDBC32302","638847","Present"
-"Bis(helenalinyl)glutarate","","","","","","","","","","","","","","","","","","","","Bis(helenalinyl)glutarate","","CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)CCCC(=O)OC4C5C(CC(C6C4(C(=O)C=C6)C)C)OC(=O)C5=C)C(=C)C(=O)O2","PCLGLSWYMVOCFV-VSUOEQHXSA-N","336831",NA,"PDBC32303","352330","Present"
-"Bis(indole)dibenzyltindi(isothiocyanate)","","","","","","","","","","","","","","","","","","","","Bis(indole)dibenzyltindi(isothiocyanate)","","","","",NA,"PDBC32304","695419","Present"
-"Bis(indole)dibenzyltindichloride","","","","","","","","","","","","","","","","","","","","Bis(indole)dibenzyltindichloride","","","","",NA,"PDBC32305","695417","Present"
-"Bis(methylthio)maleonitrile","","","","","","","","","","","","","","","","","","","","Bis(methylthio)maleonitrile","","CSC(=C(C#N)SC)C#N","JYGDGMIEJUMABD-AATRIKPKSA-N","5929688",NA,"PDBC32306","14022","Present"
-"Bis(p-methoxyphenyl)selenide","","","","","","","","","","","","","","","","","","","","CCRIS 4541","","COC1=CC=C(C=C1)[Se]C2=CC=C(C=C2)OC","LURBCACEKXUJEG-UHFFFAOYSA-N","155624",NA,"PDBC32307","632602","Present"
-"Bis(phenylsulfonyl)-2-quinolinylmethane","","","","","","","","","","","","","","","","","","","","Bis(phenylsulfonyl)-2-quinolinylmethane","","C1=CC=C(C=C1)S(=O)(=O)C(C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4","BMDIXOOKVXZORU-UHFFFAOYSA-N","385346",NA,"PDBC32308","676464","Present"
-"Bis(pivaloyloxymethyl) ester of 2'-Azido-deoxyuridine 5'-monophosphate","","","","","","","","","","","","","","","","","","","","Bis(pivaloyloxymethyl) ester of 2'-Azido-deoxyuridine 5'...","","CC(C)(C)C(=O)OCOP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)N=[N+]=[N-])O)OCOC(=O)C(C)(C)C","QKKHGQTYOGPULO-UHFFFAOYSA-N","384226",NA,"PDBC32309","673631","Present"
-"Bis(prop-2-enyl) (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoyl]amino]butanedioate","","","","","","","","","","","","","","","","","","","","Bis(prop-2-enyl) (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoyl]amino]butanedioate","","C=CCOC(=O)CC(C(=O)OCC=C)NC(=O)C(CC1=CC=C(C=C1)O)NCC(F)(F)F","NHTFCJYCGMQQHK-IRXDYDNUSA-N","400545",NA,"PDBC32310","712623","Present"
-"Bis(prop-2-enyl) (2S)-2-[[(2S)-5,5,5-trifluoro-2-[(4-hydroxyphenyl)methyl]pentanoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Bis(prop-2-enyl) (2S)-2-[[(2S)-5,5,5-trifluoro-2-[(4-hydroxyphenyl)methyl]pentanoyl]amino]pentanedioate","","C=CCOC(=O)CCC(C(=O)OCC=C)NC(=O)C(CCC(F)(F)F)CC1=CC=C(C=C1)O","FCCQYWHOGVQTDS-HKUYNNGSSA-N","400546",NA,"PDBC32311","712624","Present"
-"Bis(salicylidene-2-imino-3-hydroxy-butyric acid)cobalt(II)","","","","","","","","","","","","","","","","","","","","Bis(salicylidene-2-imino-3-hydroxy-butyric acid)cobalt(II)","","CC(C(C(=O)[O-])N=CC1=CC=CC=C1[O-])O.CC(C(C(=O)[O-])N=CC1=CC=CC=C1[O-])O.[Co+2]","JMQFQEGLRRPXFG-UHFFFAOYSA-J","364749",NA,"PDBC32312","631464","Present"
-"Bis(salicylidene-2-methyl-1-propanole-2-imine)cobalt(II)","","","","","","","","","","","","","","","","","","","","Bis(salicylidene-2-methyl-1-propanole-2-imine)cobalt(II)","","CC(C)(CO)N=CC1=CC=CC=C1[O-].CC(C)(CO)N=CC1=CC=CC=C1[O-].[Co+2]","WYNHSSFWBLSERL-UHFFFAOYSA-L","364751",NA,"PDBC32313","631467","Present"
-"Bis(salicylidene-4-sulfonic acid-aniline)cobalt(III)","","","","","","","","","","","","","","","","","","","","Bis(salicylidene-4-sulfonic acid-aniline)cobalt(III)","","C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)[O-])[O-].C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)[O-])[O-].[Co+2]","MDTMPTHMAQZIGR-UHFFFAOYSA-J","364747",NA,"PDBC32314","631456","Present"
-"Bis(salicylidene-tert-butylamine)cobalt(II)","","","","","","","","","","","","","","","","","","","","Bis(salicylidene-tert-butylamine)cobalt(II)","","CC(C)(C)N=CC1=CC=CC=C1[O-].CC(C)(C)N=CC1=CC=CC=C1[O-].[Co+2]","ALIWKLKVIWXWBK-UHFFFAOYSA-L","365225",NA,"PDBC32315","632567","Present"
-"Bis(salicylidenebenzylamine)cobalt(II)","","","","","","","","","","","","","","","","","","","","Bis(salicylidenebenzylamine)cobalt(II)","","C1=CC=C(C=C1)CN=CC2=CC=CC=C2[O-].C1=CC=C(C=C1)CN=CC2=CC=CC=C2[O-].[Co+2]","CFICOLGLZXKOEA-UHFFFAOYSA-L","6711572",NA,"PDBC32316","631457","Present"
-"Bis(triethylgermyl) butanedioate","","","","","","","","","","","","","","","","","","","","NCIMech_000758","","CC[Ge](CC)(CC)OC(=O)CCC(=O)O[Ge](CC)(CC)CC","WVWLQDVQVQCPPF-UHFFFAOYSA-N","16683583",NA,"PDBC32317","653558","Present"
-"Bis-(4-chloro-2-nitro-phenyl) sulfone","","","","","","","","","","","","","","","","","","","","Bis-(4-chloro-2-nitro-phenyl) sulfone","","C1=CC(=C(C=C1Cl)[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]","BMCHGTVACZAQDJ-UHFFFAOYSA-N","376218",NA,"PDBC32318","656836","Present"
-"Bis-.mu.-acetatodiaquatetrachlororhenium(II)","","","","","","","","","","","","","","","","","","","","Bis-.mu.-acetatodiaquatetrachlororhenium(II)","","","","",NA,"PDBC32319","634046","Present"
-"Bis-.mu.-butyratodiaquotetrabromorhenium(II)","","","","","","","","","","","","","","","","","","","","Bis-.mu.-butyratodiaquotetrabromorhenium(II)","","","","",NA,"PDBC32320","631899","Present"
-"Bis-.mu.-propionatodiaquatetrabromorhenium(II)","","","","","","","","","","","","","","","","","","","","Bis-.mu.-propionatodiaquatetrabromorhenium(II)","","","","",NA,"PDBC32321","631894","Present"
-"Bis-2,4-dimethoxyphenylselenide","","","","","","","","","","","","","","","","","","","","Bis-2,4-dimethoxyphenylselenide","","COC1=CC(=C(C=C1)[Se]C2=C(C=C(C=C2)OC)OC)OC","XNCUXFVJNXZBBO-UHFFFAOYSA-N","365233",NA,"PDBC32322","632580","Present"
-"Bis-2-[{6-[1-(3,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl}oxy] ethylether","","","","","","","","","","","","","","","","","","","","Bis-2-[{6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodio...","","CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCOCCOC4=CC5=C(C=C4C(C)C6=CC(=C(C(=C6)OC)OC)OC)OCO5)OCO3","ZRGTWNHAJWTACB-UHFFFAOYSA-N","372021",NA,"PDBC32323","646837","Present"
-"Bis-4-(t-Butyl)pyrimidinium-pentachloro-4-(t-butyl) pyri...","","","","","","","","","","","","","","","","","","","","Bis-4-(t-Butyl)pyrimidinium-pentachloro-4-(t-butyl) pyri...","","","","",NA,"PDBC32324","630134","Present"
-"Bis-4-ethylpyridinium-pentachloro-4-ethylpyridineruthena...","","","","","","","","","","","","","","","","","","","","Bis-4-ethylpyridinium-pentachloro-4-ethylpyridineruthena...","","","","",NA,"PDBC32325","630132","Present"
-"Bis-A-tda","","","","","","","","","","","","","","","","","","","","methanediamine, n,n'-bis(1,3,4-thiadiazol-2-yl)-","","C1=NN=C(S1)NCNC2=NN=CS2","WMAHFAYLCMTHCB-UHFFFAOYSA-N","97676",NA,"PDBC32326","143019","Present"
-"Bis-[3,3'-(2-nitroimidazol-1H-yl)propyl]amine hydrochloride","","","","","","","","","","","","","","","","","","","","Bis-[3,3'-(2-nitroimidazol-1H-yl)propyl]amine hydrochloride","","C1=CN(C(=N1)[N+](=O)[O-])CCCNCCCN2C=CN=C2[N+](=O)[O-].Cl","XLKJQHJYOQOCNA-UHFFFAOYSA-N","378461",NA,"PDBC32327","661066","Present"
-"Bis-arylpurine derivatives","","","","","","","","","","","","","","","","","","","","Bis-arylpurine derivatives","","C1=CC=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)Cl)CN4C=NC5=C4N=C(N=C5Cl)Cl","NBXZVKDUQLHBDJ-UHFFFAOYSA-N","16126516",NA,"PDBC32328","733893","Present"
-"Bis-triazole derivative","","","","","","","","","","","","","","","","","","","","BIS-TRIAZOLE DERIVATIVE","","C1=CC(=C(C=C1Cl)Cl)OCC2=NN3C(=NN=C3S2)CCCCC4=NN=C5N4N=C(S5)COC6=C(C=C(C=C6)Cl)Cl","ZSGIJNNWWQMATG-UHFFFAOYSA-N","11734970",NA,"PDBC32329","725740","Present"
-"Bis-{(5,11-diketo-11H[1,2-c]isoquinoline)-6-ethy lamino-ethylamino}ethane Tetra(trifluoroacetate)","","","","","","","","","","","","","","","","","","","","Bis-{(5,6-dihydro-5,11-diketo-11H[1,2-c]isoquinoline)-6-...","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCNCCNCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","BOOWIMAXPOBHAS-UHFFFAOYSA-N","45027878",NA,"PDBC32330","730631","Present"
-"Bis[(1-phenylbutane-1,3-dionato)distearato]titanium(IV)","","","","","","","","","","","","","","","","","","","","Bis[(1-phenylbutane-1,3-dionato)distearato]titanium(IV)","","CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","WQJUMAYBKGQFGV-UHFFFAOYSA-L","368057",NA,"PDBC32331","638381","Present"
-"Bis[(4-nitrophenyl)methyl] 2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Bis[(4-nitrophenyl)methyl] 2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]pentanedioate","","CC(C)CC(C(=O)NC(CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C","GVFHDMKMODEFLZ-UHFFFAOYSA-N","382702",NA,"PDBC32332","670350","Present"
-"Bis[(5-ethylpyridin-2-yl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Bis[2-(5-ethylpyridyl)methyl]4-[2-(5,6-dihydro-p-dioxin ...","","CCC1=CN=C(C=C1)COC(=O)C2=C(NC(=C(C2C3=COCCO3)C(=O)OCC4=NC=C(C=C4)CC)C)C","YWKFGWNTDPFJIZ-UHFFFAOYSA-N","130889",NA,"PDBC32333","650212","Present"
-"Bis[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)methyl] sulfate","","","","","","","","","","","","","","","","","","","","Bis[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)methyl] sulfate","","CC1(COS(=O)(=O)OC1)COS(=O)(=O)OCC2(COS(=O)(=O)OC2)C","OGJMCYIMYPHSFT-UHFFFAOYSA-N","398487",NA,"PDBC32334","708390","Present"
-"Bis[1-(4-methylpiperidino)-4-(2-pyridyl)-2,3-diazapenta ...","","","","","","","","","","","","","","","","","","","","Bis[1-(4-methylpiperidino)-4-(2-pyridyl)-2,3-diazapenta ...","","","","",NA,"PDBC32335","666160","Present"
-"Bis[1-azepanyl-4-(2-pyridyl)-2,3-diazapenta-1,3-dien-1-t...","","","","","","","","","","","","","","","","","","","","Bis[1-azepanyl-4-(2-pyridyl)-2,3-diazapenta-1,3-dien-1-t...","","","","",NA,"PDBC32336","666159","Present"
-"Bis[2-((2'-methoxyphenylaminyl)(phenyl)methyl)indane-1,3-dionato]copper(II)","","","","","","","","","","","","","","","","","","","","Bis[2-((2'-methoxyphenylaminyl)(phenyl)methyl)indane-1,3...","","COC1=CC=CC=C1[N-]C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C3=O)[O-].COC1=CC=CC=C1[N-]C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C3=O)[O-].[Cu+2]","PIOXZNYFLKSYBV-UHFFFAOYSA-L","368327",NA,"PDBC32337","639084","Present"
-"Bis[2-((phenylaminyl)(phenyl)methyl)indane-1,3-dionato] nickel(II)-dihydrate","","","","","","","","","","","","","","","","","","","","Bis[2-((phenylaminyl)(phenyl)methyl)indane-1,3-dionato] ...","","C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.[Ni+2]","GKSMQNNJCCYGAH-UHFFFAOYSA-L","24202332",NA,"PDBC32338","639094","Present"
-"Bis[2-(hydroxymethyl)butyl] (E)-but-2-enedioate","","","","","","","","","","","","","","","","","","","","Bis[2-(hydroxymethyl)butyl] (E)-but-2-enedioate","","CCC(CO)COC(=O)C=CC(=O)OCC(CC)CO","KJSUWENZDJFREL-AATRIKPKSA-N","5387633",NA,"PDBC32339","625454","Present"
-"Bis[2-[(1-benzyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]ethyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis[2-[(1-benzyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]ethyl] decanedioate","","C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)C(=O)NC(=O)NCCOC(=O)CCCCCCCCC(=O)OCCNC(=O)NC(=O)C3=CN(C(=O)NC3=O)CC4=CC=CC=C4","ONZHAAZSUVWXMZ-UHFFFAOYSA-N","369988",NA,"PDBC32340","642509","Present"
-"Bis[2-[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]phenyl]ethyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis[2-[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]phenyl]ethyl] decanedioate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2=CC=C(C=C2)CCOC(=O)CCCCCCCCC(=O)OCCC3=CC=C(C=C3)N4C=C(C(=O)NC4=O)C(=O)NC(=O)OCC","YCJQLPWDBYQGEK-UHFFFAOYSA-N","368407",NA,"PDBC32341","639400","Present"
-"Bis[3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)carbamoylamino]propyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis[3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)carbamoylamino]propyl] decanedioate","","C1=C(C(=O)NC(=O)N1)C(=O)NC(=O)NCCCOC(=O)CCCCCCCCC(=O)OCCCNC(=O)NC(=O)C2=CNC(=O)NC2=O","GBHWIVIPFIMNBW-UHFFFAOYSA-N","370274",NA,"PDBC32342","643052","Present"
-"Bis[3-[5-(benzyloxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis[3-[5-(benzyloxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate","","C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC4=CC=CC=C4","RRINSNBRMSZKCE-UHFFFAOYSA-N","369635",NA,"PDBC32343","641546","Present"
-"Bis[3-[5-(butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis(3-{5-[(butoxycarbonyl)carbamoyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}propyl) decanedioate","","CCCCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCCCC","DZNOOUYZUXXHOE-UHFFFAOYSA-N","368406",NA,"PDBC32344","639399","Present"
-"Bis[3-[5-(butoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis[3-[5-(butoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] decanedioate","","CCCCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCCCC","LIJDIPAMXKLZGU-UHFFFAOYSA-N","368642",NA,"PDBC32345","639756","Present"
-"Bis[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","SEPIVMDQMBNFMD-UHFFFAOYSA-N","362009",NA,"PDBC32346","625513","Present"
-"Bis[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] decanedioate","","CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC","FAWIUCRTXYTRFD-UHFFFAOYSA-N","368823",NA,"PDBC32347","640091","Present"
-"Bis[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] dodecanedioate","","","","","","","","","","","","","","","","","","","","Bis[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] dodecanedioate","","CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)CCCOC(=O)CCCCCCCCCCC(=O)OCCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC","QLXBEMLHQORJKQ-UHFFFAOYSA-N","368641",NA,"PDBC32348","639755","Present"
-"Bis[3-[5-(methoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis(3-{5-[(methoxycarbonyl)carbamoyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}propyl) decanedioate","","COC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OC","UYUVSXIYSIRMIT-UHFFFAOYSA-N","368819",NA,"PDBC32349","640087","Present"
-"Bis[3-amino-4-(dimethylamino)phenyl]methanone","","","","","","","","","","","","","","","","","","","","3,3'-DIAMINO-4,4'-BIS(DIMETHYLAMINO)BENZOPHENONE","","CN(C)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)N(C)C)N)N","OSABJXFEGLRNTG-UHFFFAOYSA-N","219490",NA,"PDBC32350","885","Present"
-"Bis[4-(2-phenylethyl)thiophen-3-yl]methanone","","","","","","","","","","","","","","","","","","","","Bis(4-phenethyl-3-thienyl)methanone","","C1=CC=C(C=C1)CCC2=CSC=C2C(=O)C3=CSC=C3CCC4=CC=CC=C4","ICGJMJTZNUGTLV-UHFFFAOYSA-N","396277",NA,"PDBC32351","701974","Present"
-"Bis[4-(3,4-dichlorophenyl)piperazin-1-yl]methanethione","","","","","","","","","","","","","","","","","","","","Bis[4-(3,4-dichlorophenyl)piperazin-1-yl]methanethione","","C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl","BHYWTXXDWFTKNI-UHFFFAOYSA-N","388909",NA,"PDBC32352","684145","Present"
-"Bis[4-(3-chlorophenyl)piperazin-1-yl]methanethione","","","","","","","","","","","","","","","","","","","","Bis[4-(3-chlorophenyl)piperazin-1-yl]methanethione","","C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl","RRAFPVMVQWKBJF-UHFFFAOYSA-N","388908",NA,"PDBC32353","684144","Present"
-"Bis[4-(3-methyl-2-quinoxalinyl)phenyl]diazene oxide","","","","","","","","","","","","","","","","","","","","Bis[4-(3-methyl-2-quinoxalinyl)phenyl]diazene oxide","","CC1=NC2=CC=CC=C2N=C1C3=CC=C(C=C3)N=[N+](C4=CC=C(C=C4)C5=NC6=CC=CC=C6N=C5C)[O-]","DFQPITYGXWWMAR-UHFFFAOYSA-N","247982",NA,"PDBC32354","63875","Present"
-"Bis[4-amino-3-cyanophenyl]sulfide","","","","","","","","","","","","","","","","","","","","AE-413/36101002","","C1=CC(=C(C=C1SC2=CC(=C(C=C2)N)C#N)C#N)N","HSUYVLRLGOKVNJ-UHFFFAOYSA-N","393410",NA,"PDBC32355","695264","Present"
-"Bis[4-morpholino-2,3,5-triazine] iron(III) complex","","","","","","","","","","","","","","","","","","","","bis[4-morpholino-2,6-bis[hydroxy(methyl)amino]-1,3,5-tri...","","CN(C1=NC(=NC(=N1)N2CCOCC2)N(C)[O-])[OH2+].CN(C1=NC(=NC(=N1)N2CCOCC2)N(C)[O-])[O-].[Fe+3]","YHZYXLLFJJIDSK-UHFFFAOYSA-O","54613128",NA,"PDBC32356","749910","Present"
-"Bis[5-[(1-allyl-3-methyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate","","","","","","","","","","","","","","","","","","","","Bis[5-[(1-allyl-3-methyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate","","CN1C(=O)C(=CN(C1=O)CC=C)C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)C2=CN(C(=O)N(C2=O)C)CC=C","IQIPLOQYKKJSKF-UHFFFAOYSA-N","371536",NA,"PDBC32357","645857","Present"
-"Bis[5-[(1-benzyl-3-methyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate","","","","","","","","","","","","","","","","","","","","Bis[5-[(1-benzyl-3-methyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate","","CN1C(=O)C(=CN(C1=O)CC2=CC=CC=C2)C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)C3=CN(C(=O)N(C3=O)C)CC4=CC=CC=C4","JOWCZUMLOPSHKG-UHFFFAOYSA-N","371535",NA,"PDBC32358","645856","Present"
-"Bis[5-[[1-(1-ethylpropyl)-2,4-dioxo-pyrimidine-5-carbonyl]carbamoylamino]pentyl] dodecanedioate","","","","","","","","","","","","","","","","","","","","Bis[5-[[1-(1-ethylpropyl)-2,4-dioxo-pyrimidine-5-carbonyl]carbamoylamino]pentyl] dodecanedioate","","CCC(CC)N1C=C(C(=O)NC1=O)C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)C2=CN(C(=O)NC2=O)C(CC)CC","LSLDUUROZVSVKQ-UHFFFAOYSA-N","371185",NA,"PDBC32359","645239","Present"
-"Bis[[2-[(E)-[2-(2-furyl)-2-oxo-ethylidene]amino]phenyl]sulfanyl]nickel","","","","","","","","","","","","","","","","","","","","Bis[[2-[(E)-[2-(2-furyl)-2-oxo-ethylidene]amino]phenyl]sulfanyl]nickel","","","","",NA,"PDBC32360","626853","Present"
-"Bis[[3,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl] octanedioate","","","","","","","","","","","","","","","","","","","","bis[[3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)te...","","C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COC(=O)CCCCCCCCC(=O)OCC4C(C(C(O4)N5C=NC6=C5N=CNC6=O)O)O)O)O","YUPGCGMITBIMTP-UHFFFAOYSA-N","135499156",NA,"PDBC32361","641544","Present"
-"Bis[[3-[[[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]carbamothioyl-(1-adamantyl)amino]methyl]phenyl]methyl]-bis[[3-[(1-adamantylamino)methyl]phenyl]methyl]azanium","","","","","","","","","","","","","","","","","","","","[(Bis{3-[(tricyclo[3.3.1.13,7]decan-1-ylamino)methyl]ben...","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NNC(=S)N(CC4=CC(=CC=C4)C[N+](CC5=CC=CC(=C5)CNC67CC8CC(C6)CC(C8)C7)(CC9=CC=CC(=C9)CNC12CC3CC(C1)CC(C3)C2)CC1=CC=CC(=C1)CN(C(=S)NNC1=CC=C2C(=CC1=O)C(CCC1=CC(=C(C(=C12)OC)OC)OC)NC(=O)C)C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2)OC)OC)OC","XJLNEECZYOQDIA-BBLLEISNSA-O","155808069",NA,"PDBC32362","799315","Present"
-"Bis[[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis[[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] decanedioate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2C3C(C(O2)COC(=O)CCCCCCCCC(=O)OCC4C5C(C(O4)N6C=C(C(=O)NC6=O)C(=O)NC(=O)OCC)OC(O5)(C)C)OC(O3)(C)C","RIUVJXXLQCQSLS-UHFFFAOYSA-N","368820",NA,"PDBC32363","640088","Present"
-"Bis[[5-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl] decanedioate","","","","","","","","","","","","","","","","","","","","Bis[[5-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl] decanedioate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)CCCCCCCCC(=O)OCC3C(C(C(O3)N4C=C(C(=O)NC4=O)C(=O)NC(=O)OCC)O)O)O)O","UCZURVOJCYVVPB-UHFFFAOYSA-N","368821",NA,"PDBC32364","640089","Present"
-"Bis[colchiceinato(1-)-kappa(sup 2)O(sup 9),O(sup 10]copper(II) sesquihydrate","","","","","","","","","","","","","","","","","","","","Bis[colchiceinato(1-)-.kappa.(sup 2)O(sup 9),O(sup 10]co...","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)[O-])OC)OC)OC.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)[O-])OC)OC)OC.[Cu+2]","SDYRYZPVHYXIHV-ZFQYHYQMSA-L","60147491",NA,"PDBC32365","749424","Present"
-"Bisabolene PEH-III G3","","","","","","","","","","","","","","","","","","","","Bisabolene PEH-III G3","","CC1=CCC(CC1)C(=C)CCC=C(C)C","XZRVRYFILCSYSP-UHFFFAOYSA-N","403919",NA,"PDBC32366","719625","Present"
-"Bisacetylacetone ethylenediimine tin","","","","","","","","","","","","","","","","","","","","Bisacetylacetone ethylenediimine tin","","CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.C(=N)C=N.[Sn+2]","PFDWUPZGEDOJKZ-UHFFFAOYSA-N","24202369",NA,"PDBC32367","644934","Present"
-"Bisacetylacetone propylenediiminodiphenyl tin","","","","","","","","","","","","","","","","","","","","Bisacetylacetone propylenediiminodiphenyl tin","","","","",NA,"PDBC32368","644935","Present"
-"Bisantrene hydrochloride","","","","","","","","","","","","","","","","","","","","Bisantrene hydrochloride","","C1CN=C(N1)NN=CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C=NNC5=NCCN5.Cl","HBSXKBIYGYFNRF-JMLRMIEWSA-N","6326620",NA,"PDBC32369","337766","Present"
-"Bisarylpurines","","","","","","","","","","","","","","","","","","","","Bisarylpurines","","C1=CC(=CC(=C1)COC2=CC(=CC=C2)OCC3=CC=CC(=C3)CN4C=NC5=C(N=CN=C54)NCCO)CN6C=NC7=C(N=CN=C76)NCCO","KOPVIXLOMLITBL-UHFFFAOYSA-N","24205965",NA,"PDBC32370","737529","Present"
-"Bisarylpyrimidine","","","","","","","","","","","","","","","","","","","","Bisarylpyrimidine","","CC1=CN(C(=O)N(C1=O)CC2=CC=CC=C2CCl)CC3=CC=CC=C3CCl","DLCGDVXPMIWIJC-UHFFFAOYSA-N","45027985",NA,"PDBC32371","740489","Present"
-"Bisarylpyrimidines","","","","","","","","","","","","","","","","","","","","Bisarylpyrimidines","","C1=CC=C(C(=C1)CN2C=C(C(=O)N(C2=O)CC3=CC=CC=C3CCl)F)CCl","BFEVSMSEHKXNLY-UHFFFAOYSA-N","45028316",NA,"PDBC32372","742163","Present"
-"Bisbenzimidazolium-pentachlorobenzimidazoleruthenate(III)","","","","","","","","","","","","","","","","","","","","Bisbenzimidazolium-pentachlorobenzimidazoleruthenate(III)","","","","",NA,"PDBC32373","630119","Present"
-"Bisbenzimide","","","","","","","","","","","","","","","","","","","","Bisbenzimide","","CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C.Cl","OTMWRDPOAAYNCR-UHFFFAOYSA-N","54600704",NA,"PDBC32374","334072","Present"
-"Bisethylxanthate trisulfide","","","","","","","","","","","","","","","","","","","","bext (van)","","CCOC(=S)SSSC(=S)OCC","XXYGYFJCOAIEEK-UHFFFAOYSA-N","15815",NA,"PDBC32375","402562","Present"
-"Bishelenalinyl malonate","","","","","","","","","","","","","","","","","","","","Bishelenalinyl malonate","","CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)CC(=O)OC4C5C(CC(C6C4(C(=O)C=C6)C)C)OC(=O)C5=C)C(=C)C(=O)O2","YTQIEACOYYTJSM-SGTGAOPFSA-N","330973",NA,"PDBC32376","320951","Present"
-"Bisindolylmaleimide 11a","","","","","","","","","","","","","","","","","","","","NSC767243","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCSC(=N)N","OGEQEAYTMFZUQU-UHFFFAOYSA-N","5327937",NA,"PDBC32377","767243","Present"
-"Bisindolylmaleimide 6c","","","","","","","","","","","","","","","","","","","","NSC767229","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCN","SSAOZDCFQCAHNO-UHFFFAOYSA-N","5327933",NA,"PDBC32378","767229","Present"
-"Bisindolylmaleimide IV","","","","","","","","","","","","","","","","","","","","NSC767269","","C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54","DQYBRTASHMYDJG-UHFFFAOYSA-N","2399",NA,"PDBC32379","767269","Present"
-"Bisindolylmaleimide deriv. 17","","","","","","","","","","","","","","","","","","","","NSC767240","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CNCCN5C6=CC=CC=C64","WGLDKILPHLGLGQ-UHFFFAOYSA-N","5327748",NA,"PDBC32380","767240","Present"
-"Bisindolylmaleimide deriv. 18a","","","","","","","","","","","","","","","","","","","","NSC767248","","CNCC1CCN2C(=C(C3=CC=CC=C32)C4=C(C(=O)NC4=O)C5=CN(C6=CC=CC=C65)C)C1","GOIGMLFGWCXFQS-UHFFFAOYSA-N","5327749",NA,"PDBC32381","767248","Present"
-"Bisindolylmaleimide deriv. 5c","","","","","","","","","","","","","","","","","","","","NSC767271","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CCCCCN5C6=CC=CC=C64","PMTQDTHDVBZNMC-UHFFFAOYSA-N","5327737",NA,"PDBC32382","767271","Present"
-"Bisindolylmaleimide deriv. 9a","","","","","","","","","","","","","","","","","","","","NSC767247","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CN5C6=CC=CC=C64)CN","NMGBFXCDTNEKFF-UHFFFAOYSA-N","5327738",NA,"PDBC32383","767247","Present"
-"Bisindolylmaleimide deriv. 9f","","","","","","","","","","","","","","","","","","","","NSC767274","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CCC(CCN5C6=CC=CC=C64)CN","KHZQIBLXYBPFAA-UHFFFAOYSA-N","5327742",NA,"PDBC32384","767274","Present"
-"Bisindolylmaleimide v","","","","","","","","","","","","","","","","","","","","NSC767267","","CN1C(=O)C(=C(C1=O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","SWAWYMIKGOHZMR-UHFFFAOYSA-N","2400",NA,"PDBC32385","767267","Present"
-"Biskallolide A","","","","","","","","","","","","","","","","","","","","Biskallolide A","","CC1=C2C(C(CCC3=CC(C(C(=C1)O2)C(=C)C)OC3=O)C(=C)C)OC4C(CCC5=CC(C(C6=CC(=C4O6)C)C(=C)C)OC5=O)C(=C)C","ZAEXQDBLZPJMTJ-JEPKPHBVSA-N","396368",NA,"PDBC32386","702311","Present"
-"Bismurrayafoline A","","","","","","","","","","","","","","","","","","","","Bismurrayafoline A","","CC1=CC2=C(C(=C1)OC)N(C3=CC=CC=C32)CC4=CC5=C(C(=C4)OC)NC6=CC=CC=C65","BWIDIGNNLPIYNM-UHFFFAOYSA-N","375158",NA,"PDBC32387","654292","Present"
-"Bismurrayafoline B","","","","","","","","","","","","","","","","","","","","Bismurrayafoline B","","CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C5=C(N4)C(=C(C=C5)OC)CC=C(C)C)O)O)NC6=C2C=CC(=C6CC=C(C)C)OC","STVAUJYOJBWBNS-UHFFFAOYSA-N","375145",NA,"PDBC32388","654279","Present"
-"Bismuth, dichloro(1-piperidinylcarbamodithioato-S,S')-, ...","","","","","","","","","","","","","","","","","","","","Bismuth, dichloro(1-piperidinylcarbamodithioato-S,S')-, ...","","","","",NA,"PDBC32389","625492","Present"
-"Bismuthine, (acetyloxy)diphenyl-","","","","","","","","","","","","","","","","","","","","Bismuthine, (acetyloxy)diphenyl-","","CC(=O)O[Bi](C1=CC=CC=C1)C2=CC=CC=C2","GQDHGSXQYMVUJR-UHFFFAOYSA-M","16683509",NA,"PDBC32390","353739","Present"
-"Bisnaphthalimidopropyl spermidine trihydrobromide","","","","","","","","","","","","","","","","","","","","2-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide","","C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNCCCCNCCCNCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br","GPNBTIDIHYXYID-UHFFFAOYSA-N","397643",NA,"PDBC32391","706003","Present"
-"Bistropolonatodioxouranium(VI)","","","","","","","","","","","","","","","","","","","","Bistropolonatodioxouranium(VI)","","C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].O=[U+2]=O","UEROXIVWPDVMDH-UHFFFAOYSA-L","365920",NA,"PDBC32392","634044","Present"
-"Bis{2-[2'-phenolato(iminomethyl)]phenolatocopper(II)}","","","","","","","","","","","","","","","","","","","","Bis{2-[2'-phenolato(iminomethyl)]phenolatocopper(II)}","","C1=CC=C(C(=C1)C=NC2=CC=CC=C2[O-])[O-].C1=CC=C(C(=C1)C=NC2=CC=CC=C2[O-])[O-].[Cu+2].[Cu+2]","BIRZQBYWUDRRNY-UHFFFAOYSA-J","368295",NA,"PDBC32393","638839","Present"
-"Bis{2-[2'-thiazolyl(iminomethyl)]phenolato}dioxouranium(VI)","","","","","","","","","","","","","","","","","","","","Bis{2-[2'-thiazolyl(iminomethyl)]phenolato}dioxouranium(VI)","","C1=CC=C(C(=C1)C=NC2=NC=CS2)[O-].C1=CC=C(C(=C1)C=NC2=NC=CS2)[O-].O=[U+2]=O","VHJZIVWQNGXTKZ-UDGLLHLCSA-L","9570069",NA,"PDBC32394","638837","Present"
-"Bis{5-(3-indolyl)methylene triazolo[3,4-b]thiadiazole}disulfide","","","","","","","","","","","","","","","","","","","","Bis{5-(3-indolyl)methylene triazolo[3,4-b]thiadiazole}di...","","C1=CC=C2C(=C1)C(=CN2)CC3=NN=C4N3N=C(S4)SSC5=NN6C(=NN=C6S5)CC7=CNC8=CC=CC=C87","ZFNMQXZIMYHHQE-UHFFFAOYSA-N","406260",NA,"PDBC32395","724305","Present"
-"Bithionol","","","","","","","","","","","","","","","","","","","","bitin","","C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl","JFIOVJDNOJYLKP-UHFFFAOYSA-N","2406",NA,"PDBC32396","47129","Present"
-"Biurea, 1,6-dimethyl-1,6-dinitroso-","","","","","","","","","","","","","","","","","","","","hydroazodicarboxybis(methylnitrosamide)","","CN(C(=O)NNC(=O)N(C)N=O)N=O","VWCDVSANFVCUOI-UHFFFAOYSA-N","19701",NA,"PDBC32397","409425","Present"
-"Bizelesin","","","","","","","","","","","","","","","","","","","","bizelesin","","CC1=CNC2=C(C=C3C(=C12)C(CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8CC(C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)O","FONKWHRXTPJODV-DNQXCXABSA-N","60794",NA,"PDBC32398","615291","Present"
-"Bleomycin A5, sulfate","","","","","","","","","","","","","","","","","","","","Bleomycin A5, sulfate","","CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)O.OS(=O)(=O)O","DTXGEAJEYIBASZ-UHFFFAOYSA-N","422920",NA,"PDBC32399","149501","Present"
-"Bleomycin fraction blm-hpe","","","","","","","","","","","","","","","","","","","","Bleomycin fraction BLM-HPE","","CC1=C(N=C(N=C1N)C2CC(=O)N2CC(C(=O)N)N)C(=O)NC(C(C3=CN=CN3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC6=NC(=CS6)C7=NC(=CS7)C(=O)NCCNCC(C)O)O","BJQWJBNJYWTVGE-UHFFFAOYSA-N","423076",NA,"PDBC32400","150862","Present"
-"Bleomycin-BAPP","","","","","","","","","","","","","","","","","","","","bleomycin bapp","","CCCCNCCCNCCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)CCNC(=O)C(C(C)O)NC(=O)C(C)C(C(C)NC(=O)C(C(C3=CN=CN3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)OC(=O)N)O)NC(=O)C6=C(C(=NC(=N6)C(CC(=O)N)NCC(C(=O)N)N)N)C)O.OS(=O)(=O)O","VDJLTERWGFKNII-UHFFFAOYSA-N","431594",NA,"PDBC32401","294979","Present"
-"Blue platinum uracil compound","","","","","","","","","","","","","","","","","","","","Blue platinum uracil compound","","","","",NA,"PDBC32402","180512","Present"
-"Bmn-673 8R,9S","","","","","","","","","","","","","","","","","","","","BMN-673 enantiomer","","CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F","HWGQMRYQVZSGDQ-HOTGVXAUSA-N","135742498",NA,"PDBC32403","767533","Present"
-"Bms-906024","","","","","","","","","","","","","","","","","","","","BMS-906024","","CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CCC(F)(F)F)C(CCC(F)(F)F)C(=O)N)C3=CC=CC=C3","AYOUDDAETNMCBW-GSHUGGBRSA-N","66550890",NA,"PDBC32404","780812","Present"
-"Bms-911543","","","","","","","","","","","","","","","","","","","","BMS-911543","","CCN1C(=CC2=C3C(=C(N=C21)NC4=NN(C(=C4)C)C)N=CN3C)C(=O)N(C5CC5)C6CC6","JCINBYQJBYJGDM-UHFFFAOYSA-N","50922691",NA,"PDBC32405","766821","Present"
-"Bms-986142","","","","","","","","","","","","","","","","","","","","BMS-986142","","CC1=C(C=CC=C1N2C(=O)C3=C(C(=CC=C3)F)N(C2=O)C)C4=C(C=C(C5=C4C6=C(N5)CC(CC6)C(C)(C)O)C(=O)N)F","ZRYMMWAJAFUANM-INIZCTEOSA-N","86582336",NA,"PDBC32406","828251","Present"
-"Bo-Xan","","","","","","","","","","","","","","","","","","","","bo-xan","","CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C","KBPHJBAIARWVSC-DKLMTRRASA-N","5368396",NA,"PDBC32407","59193","Present"
-"Boc-(Ala-Hmb)2-OH","","","","","","","","","","","","","","","","","","","","Boc-(Ala-Hmb)2-OH","","CC(C)C(C(=O)NC(C)C(=O)OC(C(C)C)C(=O)O)OC(=O)C(C)NC(=O)OC(C)(C)C","IPICFSFUAKDZEI-UHFFFAOYSA-N","381448",NA,"PDBC32408","668036","Present"
-"Boc-Asp(OtBu)-ONp","","","","","","","","","","","","","","","","","","","","Boc-Asp(OtBu)-ONp","","CC(C)(C)OC(=O)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C","PHQSQVFTGWZWKF-UHFFFAOYSA-N","382295",NA,"PDBC32409","669757","Present"
-"Boc-Gly-Ala-Phe-OMe","","","","","","","","","","","","","","","","","","","","Boc-Gly-Ala-Phe-OMe","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)OC(C)(C)C","VWMHVZQASBYBBB-UHFFFAOYSA-N","386863",NA,"PDBC32410","679677","Present"
-"Boc-Gly-D-Ala-Phe-OBzl","","","","","","","","","","","","","","","","","","","","Boc-Gly-D-Ala-Phe-OBzl","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)OC(C)(C)C","VWMHVZQASBYBBB-NQIIRXRSSA-N","386864",NA,"PDBC32411","679678","Present"
-"Boc-Gly-Gly-Gly-Gly-OH","","","","","","","","","","","","","","","","","","","","Boc-Gly-Gly-Gly-Gly-OH","","CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O","BWUKZCIJVKIEFH-UHFFFAOYSA-N","375655",NA,"PDBC32412","655476","Present"
-"Boc-Gly-Leu-Met-NMe2","","","","","","","","","","","","","","","","","","","","Boc-Gly-Leu-Met-NMe2","","CC(C)CC(C(=O)NC(CCSC)C(=O)N(C)C)NC(=O)CNC(=O)OC(C)(C)C","GRETYSXPUXVOFK-UHFFFAOYSA-N","386867",NA,"PDBC32413","679681","Present"
-"Boc-Gly-Phe-Leu-OEt","","","","","","","","","","","","","","","","","","","","Boc-Gly-Phe-Leu-OEt","","CCOC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C","SWOVJOSFBUHPNM-UHFFFAOYSA-N","386869",NA,"PDBC32414","679683","Present"
-"Boc-GlyP(O)(OMe)2OMe","","","","","","","","","","","","","","","","","","","","Boc-GlyP(O)(OMe)2OMe","","CC(C)(C)OC(=O)NC(C(=O)OC)P(=O)(OC)OC","LJHAPRKTPAREGO-UHFFFAOYSA-N","397380",NA,"PDBC32415","705124","Present"
-"Boc-Leu-Asp(OBzl)-NH2","","","","","","","","","","","","","","","","","","","","Boc-Leu-Asp(OBzl)-NH2","","CC(C)CC(C(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C","BGVHOYOBTXOOIH-UHFFFAOYSA-N","386861",NA,"PDBC32416","679675","Present"
-"Boc-Leu-Asp(OBzl)-OBzl","","","","","","","","","","","","","","","","","","","","Boc-Leu-Asp(OBzl)-OBzl","","CC(C)CC(C(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","XTMJNANTDQKZAF-UHFFFAOYSA-N","386860",NA,"PDBC32417","679674","Present"
-"Boc-Leu-Pro-OBzl","","","","","","","","","","","","","","","","","","","","Boc-Leu-Pro-OBzl","","CC(C)CC(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","NSADPSVGPKADJE-UHFFFAOYSA-N","386862",NA,"PDBC32418","679676","Present"
-"Boc-Leu-Ser(OEt)-NH2","","","","","","","","","","","","","","","","","","","","Boc-Leu-Ser(OEt)-NH2","","CCOCC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C","RSNJIQZEZGSUHT-UHFFFAOYSA-N","386859",NA,"PDBC32419","679673","Present"
-"Boc-Phe-Phe-Ala-OBzl","","","","","","","","","","","","","","","","","","","","Boc-Phe-Phe-Ala-OBzl","","CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C","BZQGEWYWJOXRIF-UHFFFAOYSA-N","386865",NA,"PDBC32420","679679","Present"
-"Boc-amino-acetic acid diethylamide","","","","","","","","","","","","","","","","","","","","FS-5087","","CCN(CC)C(=O)CNC(=O)OC(C)(C)C","ZRZSEPNHPXXTKZ-UHFFFAOYSA-N","357734",NA,"PDBC32421","617253","Present"
-"Bohlmann K1404","","","","","","","","","","","","","","","","","","","","BOHLMANN K1404","","CC=C(COC(=O)C)C(=O)OC1C=C(C(C=C1C)(C)C)C=O","RIYSKDBFFCNNSW-MLPAPPSSSA-N","5458641",NA,"PDBC32422","302295","Present"
-"Bohlmann K1507","","","","","","","","","","","","","","","","","","","","BOHLMANN K1507","","CC=C(C)C(=O)OC(CC1C(O1)(C)C)C(=CC=CC(C)(C=C)O)C","VXKDXPKKPDBCSU-MUUKSQMNSA-N","5458642",NA,"PDBC32423","302297","Present"
-"Bohlmann K1922","","","","","","","","","","","","","","","","","","","","BOHLMANN K1922","","CC1CCC(C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C(C)C)C)O","AXTBBOHGQOEWMH-UHFFFAOYSA-N","327387",NA,"PDBC32424","302301","Present"
-"Bohlmann K2604","","","","","","","","","","","","","","","","","","","","BOHLMANN K2604","","CC1CC(CC2C1(CC(C(C2OC(=O)C=C(C)C)O)C(=C)C)C)O","JGLTUIDSFQWPBH-UHFFFAOYSA-N","327375",NA,"PDBC32425","302286","Present"
-"Bohlmann K2605","","","","","","","","","","","","","","","","","","","","BOHLMANN K2605","","CC=C(C)C(=O)OC1CC(C2(CC(C(C(C2C1)OC(=O)C(=CC)C)O)C(=C)C)C)C","UUQIWSHEXZBHKY-VULZFCBJSA-N","54607478",NA,"PDBC32426","302287","Present"
-"Bohlmann K2630","","","","","","","","","","","","","","","","","","","","BOHLMANN K2630","","CC(C)C(=O)OC1=C(C=C(C=C1)C(COC(=O)C(C)(C)OC(=O)C)C=C)OC","KTYZMIZSVMYQBQ-UHFFFAOYSA-N","327377",NA,"PDBC32427","302288","Present"
-"Bohlmann K3664","","","","","","","","","","","","","","","","","","","","BOHLMANN K3664","","CC1C(O1)(C)C(=O)OC2CCC3(CC(=C)C(=C(C)C)CC3C2(C)OC(=O)C)C","VIORAONGMUKOPO-UHFFFAOYSA-N","330396",NA,"PDBC32428","318728","Present"
-"Bohlmann K4087","","","","","","","","","","","","","","","","","","","","BOHLMANN K4087","","CC#CC#CC=C1C=CC2(O1)CCCCO2","RNEORCMLRJNFGE-JYRVWZFOSA-N","6109338",NA,"PDBC32429","302307","Present"
-"Bonqkrekic acid","","","","","","","","","","","","","","","","","","","","Bongkrekic acid","","CC(CC=CCCC=CC=CCC(C(=CC=C(C)C(=O)O)C)OC)C=CC(=CC(=O)O)CC(=O)O","SHCXABJSXUACKU-FKGXVRENSA-N","5381207",NA,"PDBC32430","112904","Present"
-"Bordeaux E","","","","","","","","","","","","","","","","","","","","bordeaux e","","C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)O)O.[Na+]","XXLYOUURXVUMTG-UHFFFAOYSA-N","135421964",NA,"PDBC32431","45206","Present"
-"Borinic acid, diphenyl-, 2-(dimethylamino)-1-phenylpropyl ester","","","","","","","","","","","","","","","","","","","","Borinic acid, diphenyl-, 2-(dimethylamino)-1-phenylpropyl ester","","","","",NA,"PDBC32432","667869","Present"
-"Borjatriol","","","","","","","","","","","","","","","","","","","","Borjatriol","","CC1(CCCC2(C1CC(C3(C2CCC(O3)(C)C(CO)O)C)O)C)C","YWTBYYFVZRIQQE-GVDRKLJBSA-N","5459177",NA,"PDBC32433","639382","Present"
-"Bornane-2,6-dione","","","","","","","","","","","","","","","","","","","","Bornane-2,6-dione","","CC1(C2CC(=O)C1(C(=O)C2)C)C","PCEVUTCFZAQRKV-UHFFFAOYSA-N","382555",NA,"PDBC32434","670164","Present"
-"Bornyl cinnamate","","","","","","","","","","","","","","","","","","","","Bornyl cinnamate","","CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC=CC=C3)C)C","ACTRLDZRLKIJEH-SUCNGJPUSA-N","5354364",NA,"PDBC32435","7757","Present"
-"Boronic acid, L-(S)","","","","","","","","","","","","","","","","","","","","NSC681236","","B(C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)N4CCOCC4)(O)O","BPXDSWBQAUJBST-ZEQRLZLVSA-N","387444",NA,"PDBC32436","681236","Present"
-"Boronic acid, [3-methyl-1-[[1-oxo-4-phenyl-2-[[(2-quinolinyl)carbonyl]amino]butyl]amino]butyl]-","","","","","","","","","","","","","","","","","","","","Boronic acid, [3-methyl-1-[[1-oxo-4-phenyl- 2-[[(2-quino...","","B(C(CC(C)C)NC(=O)C(CCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)(O)O","VBSHLQHMGVSWJF-GOTSBHOMSA-N","388335",NA,"PDBC32437","683086","Present"
-"Borrelidin","","","","","","","","","","","","","","","","","","","","Borrelidin","","CC1CC(CC(C(C(=CC=CCC(OC(=O)CC(C(C1)C)O)C2CCCC2C(=O)O)C#N)O)C)C","OJCKRNPLOZHAOU-SLNPHPKOSA-N","5357974",NA,"PDBC32438","216128","Present"
-"Bostrycoidin","","","","","","","","","","","","","","","","","","","","Bostrycoidin","","CC1=CC2=C(C=N1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O","FGNZMGUTILLWJB-UHFFFAOYSA-N","72631",NA,"PDBC32439","103645","Present"
-"Botric acid","","","","","","","","","","","","","","","","","","","","Botric acid","","","","",NA,"PDBC32440","238138","Present"
-"Botryodiplodin","","","","","","","","","","","","","","","","","","","","Botryodiplodin (synthetic)","","CC1C(COC1O)C(=O)C","CLYSZQBIUYRLNX-UHFFFAOYSA-N","33701",NA,"PDBC32441","157390","Present"
-"Bouvardia ternafolia","","","","","","","","","","","","","","","","","","","","Bouvardia ternafolia","","CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C.CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)OC)C)C","UTRRTPWLDQPVJH-UHFFFAOYSA-N","11979533",NA,"PDBC32442","227262","Present"
-"Bouvardin","","","","","","","","","","","","","","","","","","","","bouvardin","","CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)OC)C)C","TWOWSRSKGJSZHZ-UHFFFAOYSA-N","429598",NA,"PDBC32443","259968","Present"
-"Bractein","","","","","","","","","","","","","","","","","","","","Bractein","","C1=C(C=C(C(=C1O)O)O)C=C2C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O","CNLUHMGCIFZWFM-DXNYSGJVSA-N","5387564",NA,"PDBC32444","624664","Present"
-"Bradykinin Antagonist","","","","","","","","","","","","","","","","","","","","Bradykinin Antagonist","","C1CCC2C(C1)CC(N2C(=O)C(C3CC4=CC=CC=C4C3)NC(=O)C(CO)NC(=O)C(C5CC6=CC=CC=C6C5)NC(=O)CNC(=O)C7CC(CN7C(=O)C8CCCN8C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=N)CCCCCCC(=N)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N9CCCC9C(=O)N1CC(CC1C(=O)NCC(=O)NC(C1CC2=CC=CC=C2C1)C(=O)NC(CO)C(=O)NC(C1CC2=CC=CC=C2C1)C(=O)N1C2CCCCC2CC1C(=O)NC(CCCNC(=N)N)C(=O)O)O)O)C(=O)NC(CCCNC(=N)N)C(=O)O","UYRCOTSOPWOSJK-JXTBTVDRSA-N","16134278",NA,"PDBC32445","710295","Present"
-"Brahmic acid","","","","","","","","","","","","","","","","","","","","Brahmic acid","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)O","PRAUVHZJPXOEIF-UHFFFAOYSA-N","258809",NA,"PDBC32446","88135","Present"
-"Brahminoside","","","","","","","","","","","","","","","","","","","","Brahminoside","","","","",NA,"PDBC32447","88136","Present"
-"Branebrutinib","","","","","","","","","","","","","","","","","","","","BMS-986195","","CC#CC(=O)NC1CCCN(C1)C2=C(C=C(C3=C2C(=C(N3)C)C)C(=O)N)F","VJPPLCNBDLZIFG-ZDUSSCGKSA-N","121293929",NA,"PDBC32448","807627","Present"
-"Brasilin","","","","","","","","","","","","","","","","","","","","Brasilin","","C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4)O)O)O)O","UWHUTZOCTZJUKC-UHFFFAOYSA-N","222515",NA,"PDBC32449","8661","Present"
-"Bredinin","","","","","","","","","","","","","","","","","","","","Bredinin","","C1=NC(=C(N1C2C(C(C(O2)CO)O)O)O)C(=O)N","HZQDCMWJEBCWBR-UHFFFAOYSA-N","4213",NA,"PDBC32450","289637","Present"
-"Brefeldin A bis-(N,N-dimethylglycine) ester hydrochloride monohydrate","","","","","","","","","","","","","","","","","","","","Brefeldin A bis-(N,N-dimethylglycine) ester hydrochlorid...","","CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)OC(=O)CN(C)C)OC(=O)CN(C)C.Cl","NACCDLGSDFWLGW-FNVRRHJVSA-N","24202420",NA,"PDBC32451","652680","Present"
-"Brefeldin A,3-dihydro-(2R)-(3'-aminophenylsulfinyl)-","","","","","","","","","","","","","","","","","","","","Brefeldin A,2,3-dihydro-(2R)-(3'-aminophenylsulfinyl)-","","CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)C3=CC=CC(=C3)N)O)O","SNQFDHZTBOVQLH-NUGSJCHZSA-N","24202618",NA,"PDBC32452","713771","Present"
-"Brefeldin-1,13-dione, tetrahydro-","","","","","","","","","","","","","","","","","","","","Brefeldin-1,13-dione, tetrahydro-","","CC1CCCCCC2CC(=O)CC2C(=O)CCC(=O)O1","VFPKFXHONKRPFZ-KTYPHDMWSA-N","376412",NA,"PDBC32453","657326","Present"
-"Brialmontin 1","","","","","","","","","","","","","","","","","","","","Brialmontin 1","","CC1=CC(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2C)C)OC)C)OC)C)OC","RTPOSGIWSAXENH-UHFFFAOYSA-N","371612",NA,"PDBC32454","646005","Present"
-"Briarellin R","","","","","","","","","","","","","","","","","","","","Briarellin R","","CCCC(=O)OC1(CCC2C(C(=O)OC3(CCC=C(CC4C1C2C3O4)C)C)C)C","WFKXCGWVYJNIRE-XGLLRKHSSA-N","16099442",NA,"PDBC32455","734917","Present"
-"Brilliant Cresyl Blue","","","","","","","","","","","","","","","","","","","","Brilliant Cresyl Blue","","CCN(CC)C1=CC2=C(C=C1C)N=C3C(=CC(=CC3=N)N)O2.Cl","FOTVOYDDINMVOK-UHFFFAOYSA-N","24181324",NA,"PDBC32456","7813","Present"
-"Brilliant Orange","","","","","","","","","","","","","","","","","","","","orange rn","","C1=CC=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O.[Na+]","YOCIQNIEQYCORH-UHFFFAOYSA-N","135436512",NA,"PDBC32457","7831","Present"
-"Bristol A-649","","","","","","","","","","","","","","","","","","","","NSC38270///NSC76411","","CC1C(C(CC(O1)OC2C(CC3=CC4=CC(=CC(=C4C(=C3C2=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC)O)OC(=O)C)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C(C)C)(C)O)O","WURKLEUBADSHTC-UHFFFAOYSA-N","412232",NA,"PDBC32458","38270///76411","Present"
-"Brivudine","","","","","","","","","","","","","","","","","","","","Brivudine","","C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)O","ODZBBRURCPAEIQ-OWOJBTEDSA-N","5353599",NA,"PDBC32459","633770","Present"
-"Bromazepam platinum(II) dichloride","","","","","","","","","","","","","","","","","","","","Bromazepam platinum(II) dichloride","","","","",NA,"PDBC32460","625506","Present"
-"Brominated ATA polymer, bromine content 28.9%","","","","","","","","","","","","","","","","","","","","Brominated ATA polymer, bromine content 28.9%","","","","",NA,"PDBC32461","625769","Present"
-"Bromo(triphenyl)plumbane","","","","","","","","","","","","","","","","","","","","Bromotriphenyllead(IV)","","C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)Br","ZJLFYKFRSBDOTE-UHFFFAOYSA-M","285095",NA,"PDBC32462","141819","Present"
-"Bromo-tetrakis(2-methylprop-1-enyl)-lambda5-stibane","","","","","","","","","","","","","","","","","","","","Tetra(isobutenyl)antimony bromide","","CC(=C[Sb](C=C(C)C)(C=C(C)C)(C=C(C)C)Br)C","SWCJFCPMPDBIJR-UHFFFAOYSA-M","374020",NA,"PDBC32463","651199","Present"
-"Bromo-tris(2-methylprop-1-enyl)-phenyl-lambda5-stibane","","","","","","","","","","","","","","","","","","","","Tri(isobutenyl)phenylantimony bromide","","CC(=C[Sb](C=C(C)C)(C=C(C)C)(C1=CC=CC=C1)Br)C","CWUZALNRHISSQA-UHFFFAOYSA-M","374021",NA,"PDBC32464","651200","Present"
-"Bromochloromethotrexate","","","","","","","","","","","","","","","","","","","","Bromochloromethotrexate","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Br)C(=O)NC(CCC(=O)O)C(=O)O)Cl","AKDWTVCYSZSYQZ-UHFFFAOYSA-N","418098",NA,"PDBC32465","98579","Present"
-"Bromocriptine mesylate","","","","","","","","","","","","","","","","","","","","bromocriptine methanesulfonate","","CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O","NOJMTMIRQRDZMT-GSPXQYRGSA-N","31100",NA,"PDBC32466","169774","Present"
-"Bromodeoxytopsentin","","","","","","","","","","","","","","","","","","","","Bromodeoxytopsentin","","C1=CC=C2C(=C1)C(=CN2)C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br","RMAWSNVDVKZXDX-UHFFFAOYSA-N","400452",NA,"PDBC32467","712184","Present"
-"Bromotris(1-phenylbutane-1,3-dionato)zirconium(IV)","","","","","","","","","","","","","","","","","","","","Bromotris(1-phenylbutane-1,3-dionato)zirconium(IV)","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Br-].[Zr+4]","DAZWEMWFIFAWAH-UHFFFAOYSA-M","11979326",NA,"PDBC32468","635897","Present"
-"Bruceoside E","","","","","","","","","","","","","","","","","","","","Bruceoside E","","CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O","QBIRRDDMFSFVGM-LWPHVLBVSA-N","6712354",NA,"PDBC32469","673353","Present"
-"Bruceoside-F","","","","","","","","","","","","","","","","","","","","Bruceoside-F","","CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O","HLVUVKGKEFOUCN-IBRTWIPZSA-N","54604816",NA,"PDBC32470","673354","Present"
-"Brucine, dihydro-","","","","","","","","","","","","","","","","","","","","Brucine, dihydro-","","COC1=C(C=C2C(=C1)C34CCN5C3CC6C(C5)CCOC7C6C4N2C(=O)C7)OC","BETNIDISFVHOSJ-UHFFFAOYSA-N","251913",NA,"PDBC32471","72917","Present"
-"Brucinic acid","","","","","","","","","","","","","","","","","","","","NSC121865","","COC1=C(C=C2C(=C1)C34CCN5C3CC6C(C4N2)C(OCC=C6C5)CC(=O)O)OC","RJTMEFDVTNQHTN-UHFFFAOYSA-N","275193",NA,"PDBC32472","121865","Present"
-"Bryodulcosigenin","","","","","","","","","","","","","","","","","","","","Bryodulcosigenin","","CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(=O)C3(C2CC=C4C3CCC(C4(C)C)O)C)C)C","FPMQKXQOBKDVHF-DJHQPCGUSA-N","399493",NA,"PDBC32473","710352","Present"
-"Bryodulcosigenin-3-O-alpha-L-rhamnopyranosyl-(1.fwdarw.2)-beta-D-glucopyranoside","","","","","","","","","","","","","","","","","","","","Bryodulcosigenin-3-O-.alpha.-L-rhamnopyranosyl-(1.fwdarw...","","CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CCC6C(C)CCC(C(C)(C)O)O)C)C)C)C3(C)C)CO)O)O)O)O)O","BQYXEGPEDSNOPN-DNNUCUTBSA-N","399495",NA,"PDBC32474","710354","Present"
-"Bryodulcosigenin-3-O-beta-D-glucopyranoside","","","","","","","","","","","","","","","","","","","","Cabenoside D","","CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(=O)C3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C","XMWIWVZEGGOMAU-LLTPEREOSA-N","399494",NA,"PDBC32475","710353","Present"
-"Bryonolic acid","","","","","","","","","","","","","","","","","","","","Bryonolic acid","","CC1(C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C","BHVJSLPLFOAMEV-JWUDUDGSSA-N","6712218",NA,"PDBC32476","660308","Present"
-"Buddledin C","","","","","","","","","","","","","","","","","","","","buddledin c","","CC1=CCCC(=C)C2CC(C2CC1=O)(C)C","KXSUIPOSVGSLQP-PGJRDNSLSA-N","5352042",NA,"PDBC32477","314035","Present"
-"Budmunchiamine A","","","","","","","","","","","","","","","","","","","","Budmunchiamine A","","CCCCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1C)C)C","HQMOQVLQJSZUTH-UHFFFAOYSA-N","373662",NA,"PDBC32478","650436","Present"
-"Buellolide","","","","","","","","","","","","","","","","","","","","BUELLOLIDE","","CC1=C(C(=C(C(=C1Cl)OC)Cl)OC)OC2=CC(=C(C3=C2C(=O)OC3)Cl)OC","OXWGVBMJMQGGEG-UHFFFAOYSA-N","337850",NA,"PDBC32479","357680","Present"
-"Bulbophyllanthrone","","","","","","","","","","","","","","","","","","","","Bulbophyllanthrone","","COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C(=O)C2=O)O)OC)OC","SBNXJQQXIIRHIX-UHFFFAOYSA-N","398641",NA,"PDBC32480","708791","Present"
-"Bullatacinone","","","","","","","","","","","","","","","","","","","","Bullatacinone","","CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC3CC(C(=O)O3)CC(=O)C)O)O","KGGVWMAPBXIMEM-YPSBWLOUSA-N","5459112",NA,"PDBC32481","620595","Present"
-"Bullatalicin","","","","","","","","","","","","","","","","","","","","Bullatalicin","","CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O","HKMBLJVHVBJAIH-VCWFTESGSA-N","5459162",NA,"PDBC32482","634802","Present"
-"Bulleyanin","","","","","","","","","","","","","","","","","","","","Bulleyanin","","CC(=O)OC1CC2C(C(CC(C2(C3C14CC(C(C3OC(=O)C)O)C(=C)C4=O)C)OC(=O)C)OC(=O)C)(C)C","UHAGZLPOLNCLEQ-IOEDPWSVSA-N","338942",NA,"PDBC32483","363787","Present"
-"Bunamidine hydrochloride","","","","","","","","","","","","","","","","","","","","buban","","CCCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)N(CCCC)CCCC.Cl","PBYJDHRFPFHVKZ-UHFFFAOYSA-N","13985",NA,"PDBC32484","106571","Present"
-"Bunton's purine diazohydroxide","","","","","","","","","","","","","","","","","","","","Bunton's purine diazohydroxide","","CCCN1C=NC2=C(N=CN=C21)NN=O.[Na+]","SNHWYKUFFBNREM-UHFFFAOYSA-N","54611287",NA,"PDBC32485","674990","Present"
-"Buphanidrine perchlorate","","","","","","","","","","","","","","","","","","","","BUPHANIDRINE, PERCHLORATE","","COC1CC2C3(CCN2CC4=C(C5=C(C=C43)OCO5)OC)C=C1.OCl(=O)(=O)=O","CUHGXHKFDGKIBC-UHFFFAOYSA-N","457798",NA,"PDBC32486","7519","Present"
-"Bupicomide","","","","","","","","","","","","","","","","","","","","bupicomide(usan)","","CCCCC1=CN=C(C=C1)C(=O)N","VKSPIPWLHGKJQO-UHFFFAOYSA-N","31447",NA,"PDBC32487","329138","Present"
-"Bupropion hydrochloride","","","","","","","","","","","","","","","","","","","","Bupropion Hydrochloride","","CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl","HEYVINCGKDONRU-UHFFFAOYSA-N","62884",NA,"PDBC32488","315851","Present"
-"But-2-enedioic acid, ethyl ester, 2-nitro-vinyl ester","","","","","","","","","","","","","","","","","","","","O1-ethyl O4-[(E)-2-nitrovinyl] (E)-but-2-enedioate","","CCOC(=O)C=CC(=O)OC=C[N+](=O)[O-]","ZVPAYRLMKLPZST-VNKDHWASSA-N","5470339",NA,"PDBC32489","699785","Present"
-"But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate)","","","","","","","","","","","","","","","","","","","","NSC37518","","CC1=CC=C(C=C1)S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC=C(C=C2)C","HEVZUSWEUOIBHD-UHFFFAOYSA-N","235783",NA,"PDBC32490","37518","Present"
-"But-2-ynyl 2-acetoxybenzoate","","","","","","","","","","","","","","","","","","","","Acetylsalicylic acid-1-(2-butinyl)-ester","","CC#CCOC(=O)C1=CC=CC=C1OC(=O)C","PAQABXKMCYMUHM-UHFFFAOYSA-N","390925",NA,"PDBC32491","689146","Present"
-"But-3-ynyl 2-acetoxybenzoate","","","","","","","","","","","","","","","","","","","","Acetylsalicylic acid-1-(3-butinyl)-ester","","CC(=O)OC1=CC=CC=C1C(=O)OCCC#C","LZRRKPQJQJHPOM-UHFFFAOYSA-N","390926",NA,"PDBC32492","689147","Present"
-"Butane,4-bis[(6-[1-(3,4,5-trimethoxyphenyl) ethyl]-1,3-benzodioxol-5-yl)oxy]-","","","","","","","","","","","","","","","","","","","","Butane,1,4-bis[(6-[1-(3,4,5-trimethoxyphenyl) ethyl]-1,3...","","CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCCCOC4=CC5=C(C=C4C(C)C6=CC(=C(C(=C6)OC)OC)OC)OCO5)OCO3","RKOAERBZYROYTK-UHFFFAOYSA-N","371643",NA,"PDBC32493","646095","Present"
-"Butane-1,4-diamine hydrochloride","","","","","","","","","","","","","","","","","","","","putrescine","","C(CCN)CN.Cl","BPHGMWVJJCWDPB-UHFFFAOYSA-N","5351466",NA,"PDBC32494","5861","Present"
-"Butane-1,4-diyl bis(3-methylbutane-1-sulfonate)","","","","","","","","","","","","","","","","","","","","1-Butanesulfonic acid, 3-methyl-, tetramethylene ester","","CC(C)CCS(=O)(=O)OCCCCOS(=O)(=O)CCC(C)C","KEPYZDUMSFZPSX-UHFFFAOYSA-N","229685",NA,"PDBC32495","23523","Present"
-"Butane;1,3-diphenylpropane-1,3-dione;tin(4+)","","","","","","","","","","","","","","","","","","","","NSC644906","","CCC[CH2-].CCC[CH2-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Sn+4]","MMJPVTPXDWJYSL-UHFFFAOYSA-N","371026",NA,"PDBC32496","644906","Present"
-"Butane;1-phenylbutane-1,3-dione;tin(4+)","","","","","","","","","","","","","","","","","","","","NSC644917","","CCC[CH2-].CCC[CH2-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Sn+4]","ZHMNLROGSIKFJM-UHFFFAOYSA-N","371032",NA,"PDBC32497","644917","Present"
-"Butane;pentane-2,4-dione;tin(4+)","","","","","","","","","","","","","","","","","","","","NSC644909","","CCC[CH2-].CCC[CH2-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Sn+4]","MSTKDWKEUHEQSO-UHFFFAOYSA-N","371028",NA,"PDBC32498","644909","Present"
-"Butanedial,5,8a-trimethylspiro[naphthalene-2(1H),2'-oxirane]-1-yl]ethenyl]-, stereoisomer","","","","","","","","","","","","","","","","","","","","Butanedial, 2-[2-[octahydro-5,5,8a-trimethylspiro[naphth...","","CC1(CCCC2(C1CCC3(C2C=CC(CC=O)C=O)CO3)C)C","CPBGTEFMMYPOLT-GWMOMZQKSA-N","5469125",NA,"PDBC32499","683483","Present"
-"Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester","","","","","","","","","","","","","","","","","","","","Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester","","COC(=O)C(C(C(=O)OC)Br)F","UOQPHRJOTAQHPN-UHFFFAOYSA-N","317895",NA,"PDBC32500","251805","Present"
-"Butanedioic acid, [(dimethylarsino)thio]-","","","","","","","","","","","","","","","","","","","","S-(Dimethylarsino)-thiomercaptosuccinic acid","","C[As](C)SC(CC(=O)O)C(=O)O","VBROOMHVQIBYCT-UHFFFAOYSA-N","403983",NA,"PDBC32501","719982","Present"
-"Butanedioic acid, methylene-, polymer with 2-propenoic acid","","","","","","","","","","","","","","","","","","","","Succinic acid, methylene-, polymer with acrylic acid","","C=CC(=O)O.C=C(CC(=O)O)C(=O)O","ABPJHHHWWYDYFZ-UHFFFAOYSA-N","161509",NA,"PDBC32502","146443","Present"
-"Butanedioic acid, mono(2-(3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl)ethyl) ester","","","","","","","","","","","","","","","","","","","","Butanedioic acid, mono[2-[3,4-bis(4-chlorophenyl)-5-cyan...","","C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCOC(=O)CCC(=O)O)C#N)Cl","AKJTWZYTVPZSDW-UHFFFAOYSA-N","100760",NA,"PDBC32503","362453","Present"
-"Butanedioic acid,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl) bis(methylene) ester, disodium salt","","","","","","","","","","","","","","","","","","","","Butanedioic acid, (tetradecahydro-1,3,5,7-tetraoxo-4,8- ...","","C1=CC2C3C(C1C4C2C(=O)N(C4=O)COC(=O)CCC(=O)O)C5C3C(=O)N(C5=O)COC(=O)CCC(=O)O.[Na+]","NRTFTWNFHLFAOG-UHFFFAOYSA-N","54607906",NA,"PDBC32504","370153","Present"
-"Butanedioic acid,3-benzodioxol-5-ylmethylene)-3-methyl-, (2E)-","","","","","","","","","","","","","","","","","","","","Butanedioic acid, 2-(1,3-benzodioxol-5-ylmethylene)-3-me...","","CC(C(=CC1=CC2=C(C=C1)OCO2)C(=O)O)C(=O)O","WIISKXZMFXNYTA-RUDMXATFSA-N","5387745",NA,"PDBC32505","626629","Present"
-"Butanimidoyl chloride, N-[[[(4-fluorophenyl)amino] carbonyl]oxy]-","","","","","","","","","","","","","","","","","","","","Butanimidoyl chloride, N-[[[(4-fluorophenyl)amino] carbo...","","CCCC(=NOC(=O)NC1=CC=C(C=C1)F)Cl","OQUACCLBOWIBQX-XNTDXEJSSA-N","5466258",NA,"PDBC32506","682828","Present"
-"Butanimidoyl chloride, N-[[[[4-(trifluoromethoxy)phenyl] amino]carbonyl]oxy]-","","","","","","","","","","","","","","","","","","","","Butanimidoyl chloride, N-[[[[4-(trifluoromethoxy)phenyl]...","","CCCC(=NOC(=O)NC1=CC=C(C=C1)OC(F)(F)F)Cl","JSPBSPMWHACCLI-VCHYOVAHSA-N","5466270",NA,"PDBC32507","682840","Present"
-"Butanoate;cobalt(3+);ethane-1,2-diamine;perchlorate","","","","","","","","","","","","","","","","","","","","Cis-Dibutyratobis(ethylendiamine)cobalt(III)perchlorate","","CCCC(=O)[O-].CCCC(=O)[O-].C(CN)N.C(CN)N.[O-]Cl(=O)(=O)=O.[Co+3]","KNNNZGVLZOMLQQ-UHFFFAOYSA-K","24202137",NA,"PDBC32508","630626","Present"
-"Butanoic acid, 2,3-dihydroxypropyl ester","","","","","","","","","","","","","","","","","","","",".alpha.-Monobutyrin","","CCCC(=O)OCC(CO)O","RIEABXYBQSLTFR-UHFFFAOYSA-N","11188",NA,"PDBC32509","8451","Present"
-"Butanoic acid, 2-diazo-3-oxo-, 1,2-ethanediyl ester","","","","","","","","","","","","","","","","","","","","Butanoic acid, 2-diazo-3-oxo-, 1,2-ethanediyl ester","","CC(=O)C(=[N+]=[N-])C(=O)OCCOC(=O)C(=[N+]=[N-])C(=O)C","FWXLBCRSFSGVJA-UHFFFAOYSA-N","379015",NA,"PDBC32510","662779","Present"
-"Butanoic acid, 6-[[(aminothioxomethyl)hydrazono]methyl]-3-pyridinyl ester","","","","","","","","","","","","","","","","","","","","Butanoic acid, 6-[[(aminothioxomethyl)hydrazone]methyl]-...","","CCCC(=O)OC1=CN=C(C=C1)C=NNC(=S)N","YPVICNQIBKLIMB-MKMNVTDBSA-N","9555301",NA,"PDBC32511","185050","Present"
-"Butanoic acid,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-ylidene)-, disodium salt","","","","","","","","","","","","","","","","","","","","Butanoic acid, 4-hydroxy-4-(2,2,4,4-tetraoxo-1,5,2,4-dio...","","C1COS(=O)(=O)C(=C(CCC(=O)O)O)S(=O)(=O)O1.[Na+]","INYCLMLYFIPQAU-UHFFFAOYSA-N","54598739",NA,"PDBC32512","639616","Present"
-"Butein","","","","","","","","","","","","","","","","","","","","Butein","","C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O","AYMYWHCQALZEGT-ORCRQEGFSA-N","5281222",NA,"PDBC32513","652892","Present"
-"Butenedioic acid der.","","","","","","","","","","","","","","","","","","","","Butenedioic acid, 2,2'-(1,2-ethanediyl)bis[3-aminooxy-, ...","","CCOC(=O)C(=C(CCC(=C(C(=O)OCC)ON)C(=O)OC)C(=O)OC)ON","CEYNALJCYYGZFC-WGDLNXRISA-N","3001010",NA,"PDBC32514","632943","Present"
-"Butenolide peroxide","","","","","","","","","","","","","","","","","","","","Butenolide peroxide","","CC1(CC2(C(CC(=O)O2)OO1)C)CCCCCCCCCCC3=CC=CC=C3","LBCVLXZWFGNXOB-GMKZXUHWSA-N","6712220",NA,"PDBC32515","660654","Present"
-"Butyl (2Z)-6-methyl-4-oxo-2-(p-tolylsulfonylhydrazono)hept-5-enoate","","","","","","","","","","","","","","","","","","","","Butyl 6-methyl-2-(((4-methylphenyl)sulfonyl)hydrazono)-4-oxo-5-heptenoate","","CCCCOC(=O)C(=NNS(=O)(=O)C1=CC=C(C=C1)C)CC(=O)C=C(C)C","QINKFUVUPMMWJM-ZZEZOPTASA-N","6062022",NA,"PDBC32516","642612","Present"
-"Butyl (4-{[(2,6-dichlorophenyl)amino]sulfonyl}phenyl)carbamate","","","","","","","","","","","","","","","","","","","","Butyl N-[4-[(2,6-dichlorophenyl)sulfamoyl]phenyl]carbamate","","CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2Cl)Cl","AASAJUFVVCTGFV-UHFFFAOYSA-N","404501",NA,"PDBC32517","720738","Present"
-"Butyl 1-(4-(aminosulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Butyl 1-(4-(aminosulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)N","IPFXEXVXQZROPJ-UHFFFAOYSA-N","383580",NA,"PDBC32518","671998","Present"
-"Butyl 2,2,2-trifluoro-1-(4-(((6-methoxy-3-pyridazinyl)amino)sulfonyl)anilino)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Butyl N-[1,1,1,3,3,3-hexafluoro-2-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]propan-2-yl]carbamate","","CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC","DZMSWCNJNHVUKE-UHFFFAOYSA-N","383570",NA,"PDBC32519","671988","Present"
-"Butyl 2,2,2-trifluoro-1-(4-((2-pyrimidinylamino)sulfonyl)anilino)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Butyl 2,2,2-trifluoro-1-(4-((2-pyrimidinylamino)sulfonyl)anilino)-1-(trifluoromethyl)ethylcarbamate","","CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2","SWWRFFGAPVQRMW-UHFFFAOYSA-N","383571",NA,"PDBC32520","671989","Present"
-"Butyl 2,2,2-trifluoro-1-(trifluoromethyl)-1-(3-(trifluoromethyl)anilino)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Butyl 2,2,2-trifluoro-1-(trifluoromethyl)-1-(3-(trifluoromethyl)anilino)ethylcarbamate","","CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC(=C1)C(F)(F)F","OEIBAUGUVZBMHC-UHFFFAOYSA-N","383589",NA,"PDBC32521","672007","Present"
-"Butyl 2,2-bis(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Butyl 2,2-bis(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidine-3-carboxylate","","CCCCOC(=O)C1CN2C=CC=NC2=NC1(C(F)(F)F)C(F)(F)F","HUVSEUCDWWSKGF-UHFFFAOYSA-N","389383",NA,"PDBC32522","685431","Present"
-"Butyl 2,2-bis(trifluoromethyl)-3,4-dihydropyrimido[2,1-b][1,3]benzothiazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Butyl 2,2-bis(trifluoromethyl)-3,4-dihydropyrimido[2,1-b][1,3]benzothiazole-3-carboxylate","","CCCCOC(=O)C1CN2C3=CC=CC=C3SC2=NC1(C(F)(F)F)C(F)(F)F","DLJQUENQOYWJKA-UHFFFAOYSA-N","389384",NA,"PDBC32523","685432","Present"
-"Butyl 2-(1,3-dioxoisoindol-2-yl)acetate","","","","","","","","","","","","","","","","","","","","STK267874","","CCCCOC(=O)CN1C(=O)C2=CC=CC=C2C1=O","DDCPIBTYPYGETI-UHFFFAOYSA-N","357739",NA,"PDBC32524","617259","Present"
-"Butyl 2-[12-[(2-butoxy-2-oxo-ethyl)carbamoyloxy]dodeca-5,7-diynoxycarbonylamino]acetate","","","","","","","","","","","","","","","","","","","","Bis(2-oxo-2-butoxyethylcarbamic acid)5,7-dodecadiyne-1,12-diyl ester","","CCCCOC(=O)CNC(=O)OCCCCC#CC#CCCCCOC(=O)NCC(=O)OCCCC","UAAJKZAEABTTGV-UHFFFAOYSA-N","371807",NA,"PDBC32525","646258","Present"
-"Butyl 2-[[(2E,8E)-10-[(2-butoxy-2-oxo-ethyl)carbamoyloxy]deca-2,8-dien-4,6-diynoxy]carbonylamino]acetate","","","","","","","","","","","","","","","","","","","","Butyl 2-[[(2E,8E)-10-[(2-butoxy-2-oxoethyl)carbamoyloxy]deca-2,8-dien-4,6-diynoxy]carbonylamino]acetate","","CCCCOC(=O)CNC(=O)OCC=CC#CC#CC=CCOC(=O)NCC(=O)OCCCC","NYIVGZALFOUTHT-PHEQNACWSA-N","5912421",NA,"PDBC32526","646257","Present"
-"Butyl 2-[[2-butoxy-1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-ethyl]amino]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetate","","","","","","","","","","","","","","","","","","","","Butyl 2-[[2-butoxy-1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]amino]-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate","","CCCCOC(=O)C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)NC(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)OCCCC","VFFLBBROOJJIEI-UHFFFAOYSA-N","386883",NA,"PDBC32527","679741","Present"
-"Butyl 3-(2-benzoylbutyl)-6-methyl-2,4-dioxo-5-heptenoate","","","","","","","","","","","","","","","","","","","","Butyl 3-(2-benzoylbutyl)-6-methyl-2,4-dioxo-5-heptenoate","","CCCCOC(=O)C(=O)C(CC(CC)C(=O)C1=CC=CC=C1)C(=O)C=C(C)C","DQZGZYQZVCPIBC-UHFFFAOYSA-N","373479",NA,"PDBC32528","649834","Present"
-"Butyl 3-(3-furyl)-2-hydroxypropanoate","","","","","","","","","","","","","","","","","","","","Butyl 3-(3-furyl)-2-hydroxypropanoate","","CCCCOC(=O)C(CC1=COC=C1)O","BFHRADDHIGTZHI-UHFFFAOYSA-N","381475",NA,"PDBC32529","668160","Present"
-"Butyl 4-[(chloroacetyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","NSC39575","","CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCl","OAGNXKQRLZIKND-UHFFFAOYSA-N","236731",NA,"PDBC32530","39575","Present"
-"Butyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Butyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride","","CCCCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C.Cl","LPZQKQWOQBJDOF-VVTVMFAVSA-N","136040162",NA,"PDBC32531","753663","Present"
-"Butyl 6-methyl-2,4-dioxo-3-(3-oxo-2,4-diphenylbutyl)-5-heptenoate","","","","","","","","","","","","","","","","","","","","Butyl 6-methyl-2,4-dioxo-3-(3-oxo-2,4-diphenylbutyl)-5-heptenoate","","CCCCOC(=O)C(=O)C(CC(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2)C(=O)C=C(C)C","ICLAEGNEUPSKPX-UHFFFAOYSA-N","373462",NA,"PDBC32532","649819","Present"
-"Butyl 6-methyl-3-(3-(4-methylphenyl)-3-oxopropyl)-2,4-dioxo-5-heptenoate","","","","","","","","","","","","","","","","","","","","Butyl 6-methyl-3-(3-(4-methylphenyl)-3-oxopropyl)-2,4-dioxo-5-heptenoate","","CCCCOC(=O)C(=O)C(CCC(=O)C1=CC=C(C=C1)C)C(=O)C=C(C)C","MGLKYLQCSLKGCM-UHFFFAOYSA-N","373336",NA,"PDBC32533","649552","Present"
-"Butyl N-(1-cyclohexyl-2,4-dioxopyrimidine-5-carbonyl)carbamate","","","","","","","","","","","","","","","","","","","","Butyl[(1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]carbamate","","CCCCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2CCCCC2","RTTCWALEYQTCPN-UHFFFAOYSA-N","364813",NA,"PDBC32534","631572","Present"
-"Butyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate","","","","","","","","","","","","","","","","","","","","Butyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate","","CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2Cl","QGFHWGCATIGLCD-UHFFFAOYSA-N","404500",NA,"PDBC32535","720737","Present"
-"Butyl diethylcarbamo(dithioperoxo)thioate","","","","","","","","","","","","","","","","","","","","butyl diethylcarbamo(dithioperoxo)thioate","","CCCCSSC(=S)N(CC)CC","PCMFCEGDFCTXRW-UHFFFAOYSA-N","20400595",NA,"PDBC32536","749796","Present"
-"Butyl maleurate","","","","","","","","","","","","","","","","","","","","Butyl maleurate","","CCCCOC(=O)C=CC(=O)NC(=O)N","PMRRCSZAUHOZGW-PLNGDYQASA-N","5355031",NA,"PDBC32537","23994","Present"
-"Butylcycloheptylprodiginine hydrochloride","","","","","","","","","","","","","","","","","","","","prodiginine hcl, butylcycloheptyl-","","CCCCC1CCCCCCC2=C1C=C(N2)C=C3C(=CC(=N3)C4=CC=CN4)OC.Cl","XHNIOIAAXICRGD-PNNXLEGYSA-N","135539743",NA,"PDBC32538","247562","Present"
-"Butylhydrazine oxalate","","","","","","","","","","","","","","","","","","","","Hydrazine, butyl-, oxalate (1:1) (8CI)","","CCCCNN.C(=O)(C(=O)O)O","WXOBLSRQYOWIBF-UHFFFAOYSA-N","162021",NA,"PDBC32539","58184","Present"
-"Butyltriphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","N-Butyltriphenylphosphonium bromide","","CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","IKWKJIWDLVYZIY-UHFFFAOYSA-M","159628",NA,"PDBC32540","59684","Present"
-"Butyrate sodium","","","","","","","","","","","","","","","","","","","","sodium butyrate","","CCCC(=O)O.[Na+]","MFBOGIVSZKQAPD-UHFFFAOYSA-N","54611827",NA,"PDBC32541","174280","Present"
-"Butyric acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl butanoate","","CCCC(=O)OCC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO","SHABOUXXWAZWRG-NVNXTCNLSA-N","5470616",NA,"PDBC32542","703743","Present"
-"Butyric acid, 2-(2-aminopurin-6-ylthio)-3-methyl-","","","","","","","","","","","","","","","","","","","","Butyric acid, 2-(2-aminopurin-6-ylthio)-3-methyl-","","CC(C)C(C(=O)O)SC1=NC(=NC2=C1NC=N2)N","UDODMBXWDXHYDZ-UHFFFAOYSA-N","3471218",NA,"PDBC32543","38735","Present"
-"Butyric acid, 4-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzamido)-","","","","","","","","","","","","","","","","","","","","4-[N-(4-amino-4-deoxy-N10-methylpteroyl)aminobutanoic acid","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCCC(=O)O","LHEGWARMFBUJMD-UHFFFAOYSA-N","393099",NA,"PDBC32544","694484","Present"
-"Butyric acid, 4-ethylthio-","","","","","","","","","","","","","","","","","","","","Butyric acid, 4-ethylthio-","","CCSCCCC(=O)O","DBNZPPFTPCELJG-UHFFFAOYSA-N","144457",NA,"PDBC32545","84216","Present"
-"Butyric acid, rhodium salt (4:2)","","","","","","","","","","","","","","","","","","","","Butyric acid, rhodium salt (4:2)","","CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.[Rh].[Rh]","HMFZFIIUKKSJJD-UHFFFAOYSA-N","432833",NA,"PDBC32546","315626","Present"
-"Butyric acid,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido]methyl]amino]-, sodium salt","","","","","","","","","","","","","","","","","","","","Butanoic acid, 4-[[[[[4-(dimethylamino)-1,4,4a,5,5a,6,11...","","CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCNCCCC(=O)O)N(C)C)O.[Na+]","JXOFUIDUVDLMLW-FRNUWAIBSA-N","54712665",NA,"PDBC32547","56714","Present"
-"Buxamine A","","","","","","","","","","","","","","","","","","","","Buxamine A","","CC(C1CCC2(C1(CC=C3C2CCC4C(=C3)CCC(C4(C)C)N(C)C)C)C)N(C)C","ZUILVKYUNYJWMV-JTRBZCFYSA-N","5468622",NA,"PDBC32548","672961","Present"
-"By-Product of CUDC-305","","","","","","","","","","","","","","","","","","","","By-Product of CUDC-305","","CC(C)(C)CN1CCN2C3=C(C(=NC=C3)N)N=C2S1","SZWWSJXWTIMEGQ-UHFFFAOYSA-N","155808494",NA,"PDBC32549","761390","Present"
-"C 1295","","","","","","","","","","","","","","","","","","","","C 1295","","CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)C","LRSSABIWZOHLGO-UHFFFAOYSA-N","438564",NA,"PDBC32550","645824","Present"
-"C 829","","","","","","","","","","","","","","","","","","","","C 829","","CC(CN(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","BOPNKHNWJNHXPR-UHFFFAOYSA-N","21120490",NA,"PDBC32551","295505","Present"
-"C(#C)C1=CC=C(C=C1)N1C(=NC2=C(C1=O)C=CC=N2)\C=C\C1=CC2=CC=CC=C2C=C1","","","","","","","","","","","","","","","","","","","","(E)-3-(4-ethynylphenyl)-2-(2-(naphthalen-2-yl)vinyl)pyri...","","C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)C=CC4=CC5=CC=CC=C5C=C4","WPAGGQDJITULGK-FOWTUZBSSA-N","117919589",NA,"PDBC32552","766317","Present"
-"C(#C)C1=CC=C(C=C1)N1C(=NC2=C(C1=O)C=CC=N2)\C=C\C1=CC=C(C=C1)C(F)(F)F","","","","","","","","","","","","","","","","","","","","(E)-3-(4-ethynylphenyl)-2-(4-(trifluoromethyl)styryl)pyr...","","C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)C=CC4=CC=C(C=C4)C(F)(F)F","QRWGITYMHYCFOM-NTEUORMPSA-N","117919612",NA,"PDBC32553","766326","Present"
-"C(#C)C1=CC=C(C=C1)N1C(=NC2=C(C1=O)C=CC=N2)\C=C\C1=NC2=CC=CC=C2C=C1","","","","","","","","","","","","","","","","","","","","(E)-3-(4-ethynylphenyl)-2-(2-(quinolin-2-yl)vinyl)pyrido...","","C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)C=CC4=NC5=CC=CC=C5C=C4","AWDNKAGGWMOUMA-DTQAZKPQSA-N","117919586",NA,"PDBC32554","766329","Present"
-"C(C)(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC1=C(C(=CC=C1\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC)O","","","","","","","","","","","","","","","","","","","","(Z)-4-tert-butyl-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimeth...","","CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC","WRCKQEFAYMHENK-HJWRWDBZSA-N","121304395",NA,"PDBC32555","780176","Present"
-"C(C)OC1=C(C=CC=C1)C(/C=C/C=1C(NC2=CC=CC=C2C=1)=O)=O","","","","","","","","","","","","","","","","","","","","(E)-3-(3-(2-Ethoxyphenyl)-3-oxoprop-1-enyl)quinoline-2(1...","","CCOC1=CC=CC=C1C(=O)C=CC2=CC3=CC=CC=C3NC2=O","SEISRPMGAKDAMQ-VAWYXSNFSA-N","135339968",NA,"PDBC32556","795902","Present"
-"C(C)OC=1N=C(C=C2C(=C(NC(C=12)=O)C=1OC=NN=1)O)C1=CC=CC=C1","","","","","","","","","","","","","","","","","","","","8-Ethoxy-4-hydroxy-3-[1,3,4]oxadiazol-2-yl-6-phenyl-2H-[...","","CCOC1=C2C(=CC(=N1)C3=CC=CC=C3)C(=C(NC2=O)C4=NN=CO4)O","NYDHPPAJJDOUQW-UHFFFAOYSA-N","153937438",NA,"PDBC32557","773102","Present"
-"C-4'-Methyl-beta-D-ribofuranosylthymine","","","","","","","","","","","","","","","","","","","","C-4'-methyl-.beta.-D-ribofuranosylthymine","","CC1=CN(C(=O)NC1=O)C2C(C(C(O2)(C)CO)O)O","YEINCFMPBYLFKQ-UHFFFAOYSA-N","374108",NA,"PDBC32558","651412","Present"
-"C-4'-Methyladenosine","","","","","","","","","","","","","","","","","","","","C-4'-methyladenosine","","CC1(C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)CO","ZYRABNSYSYDHMR-UHFFFAOYSA-N","374109",NA,"PDBC32559","651413","Present"
-"C.I. 42510 acetate","","","","","","","","","","","","","","","","","","","","C.I. 42510 acetate","","CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.CC(=O)O","CSJFDCAABIZPAM-UHFFFAOYSA-N","221117",NA,"PDBC32560","5006","Present"
-"C.I. Acid Orange 10, disodium salt","","","","","","","","","","","","","","","","","","","","orange g","","C1=CC=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","CIGSMIXKOZNUKZ-UHFFFAOYSA-N","135436537",NA,"PDBC32561","10450","Present"
-"C.I. Acid Red 73, disodium salt","","","","","","","","","","","","","","","","","","","","NSC47724///NSC7832","","C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O","PIEQFSVTZMAUJA-UHFFFAOYSA-N","21520",NA,"PDBC32562","47724///7832","Present"
-"C.I. Basic Blue 3","","","","","","","","","","","","","","","","","","","","Ethanaminium, N-[7-(diethylamino)-3H-phenoxazin-3-yliden...","","CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]","IURGIPVDZKDLIX-UHFFFAOYSA-M","118408",NA,"PDBC32563","367084","Present"
-"C.I. Basic Yellow 37, monohydrochloride","","","","","","","","","","","","","","","","","","","","ethylauramine","","CCN(CC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(CC)CC.Cl","LQVYCDPEZPBOMT-UHFFFAOYSA-N","80679",NA,"PDBC32564","33461","Present"
-"C.I. Direct Blue 15","","","","","","","","","","","","","","","","","","","","direct blue hh","","COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O.[Na+]","HFFFZZLUQHJNHP-UHFFFAOYSA-N","135422072",NA,"PDBC32565","9616","Present"
-"C.I. Direct Orange 15","","","","","","","","","","","","","","","","","","","","erie fast orange cg","","C1=CC2=C(C=C(C=C2)N=NC3=CC(=C(C=CC4=C(C=C(C=C4)N=NC5=CC(=C1C=C5)S(=O)(=O)O)S(=O)(=O)O)C=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+]","XXLIEWQNMJLIRL-VWIOHFFRSA-N","54601156",NA,"PDBC32566","7229","Present"
-"C.I. Direct Red 75","","","","","","","","","","","","","","","","","","","","sirius pink bb","","C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)O)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)N","PGWPNHMAKPHTMA-UHFFFAOYSA-N","408099",NA,"PDBC32567","11244","Present"
-"C.I. Direct blue 53","","","","","","","","","","","","","","","","","","","","evablin","","CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","WZODLFCLKIXWGA-UHFFFAOYSA-N","135436520",NA,"PDBC32568","8680","Present"
-"C.I. Disperse yellow 23","","","","","","","","","","","","","","","","","","","","p-Hydroxy-p-bis azobenzene","","C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)O","RTZYVAQWQXPIAC-UHFFFAOYSA-N","22623",NA,"PDBC32569","45565","Present"
-"C.I. Food Red 6","","","","","","","","","","","","","","","","","","","","Ponceau 3R","","CC1=CC(=C(C=C1C)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)C.[Na+]","PLSGGFSUOOYOEL-UHFFFAOYSA-N","135436539",NA,"PDBC32570","10461","Present"
-"C.I. Solvent Blue 3","","","","","","","","","","","","","","","","","","","","C.I. Solvent Blue 3","","CC1=C(C=CC(=C1)C(=C2C=CC(=NC3=CC=CC=C3)C=C2)C4=CC=C(C=C4)NC5=CC=CC=C5)N.Cl","KMGIACBASLJNIL-UHFFFAOYSA-N","24181123",NA,"PDBC32571","5013","Present"
-"C.I. Vat Green 9","","","","","","","","","","","","","","","","","","","","navinon black bb","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC=C4C5=CC=C6C7=C(C=CC(=C57)C8=C4C3=C2C=C8)C9=C(C6=O)C=C(C=C9)[N+](=O)[O-]","KDVDMQVITMTCAH-UHFFFAOYSA-N","80733",NA,"PDBC32572","51535","Present"
-"C10H5Cl3N2O3","","","","","","","","","","","","","","","","","","","","C10H5Cl3N2O3","","C1=CC=C2C(=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])O2","REFFNUIWWSTIBH-CSKARUKUSA-N","5405138",NA,"PDBC32573","665106","Present"
-"C10H6Cl4N2O2","","","","","","","","","","","","","","","","","","","","C10H6Cl4N2O2","","C1=CC=C(C=C1)NC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","DLDPTVLHFVQPFO-NTMALXAHSA-N","3004946",NA,"PDBC32574","665086","Present"
-"C10H8ClF3N2O2","","","","","","","","","","","","","","","","","","","","NSC672054","","CC(=NOC(=O)NC1=CC=CC=C1C(F)(F)F)Cl","QUDUBSLQGMYHHT-OMCISZLKSA-N","5466027",NA,"PDBC32575","672054","Present"
-"C10H9Cl2FN2O2","","","","","","","","","","","","","","","","","","","","NSC672040","","CCC(=NOC(=O)NC1=CC(=C(C=C1)F)Cl)Cl","NQAHAHFDPBDUNI-OQLLNIDSSA-N","5466016",NA,"PDBC32576","672040","Present"
-"C10H9ClFN3O4","","","","","","","","","","","","","","","","","","","","1-Propanone, 1-chloro-, O-[[(4-fluoro-3-nitrophenyl) ami...","","CCC(=NOC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])Cl","DAJABQXEJOLMQY-NTEUORMPSA-N","5494376",NA,"PDBC32577","693882","Present"
-"C11H10ClF6N3O2","","","","","","","","","","","","","","","","","","","","C11H10ClF6N3O2","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=C(C=C1)Cl","KKPUCHCTZQIYGK-UHFFFAOYSA-N","383574",NA,"PDBC32578","671992","Present"
-"C11H13F6N3O3","","","","","","","","","","","","","","","","","","","","C11H13F6N3O3","","CCOC1=NC(N=C(O1)N2CCOCC2)(C(F)(F)F)C(F)(F)F","IWJIUZXHKYNDEZ-UHFFFAOYSA-N","383683",NA,"PDBC32579","672101","Present"
-"C12H10ClF4NO3","","","","","","","","","","","","","","","","","","","","C12H10ClF4NO3","","CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=C(C=C1)F)Cl","BTAZHJGXFSQBBF-UHFFFAOYSA-N","389147",NA,"PDBC32580","684831","Present"
-"C12H15F6N3O2","","","","","","","","","","","","","","","","","","","","C12H15F6N3O2","","CCOC1=NC(N=C(O1)N2CCCCC2)(C(F)(F)F)C(F)(F)F","NKVGLZDTICEXAA-UHFFFAOYSA-N","383594",NA,"PDBC32581","672012","Present"
-"C12H16F3N3O4","","","","","","","","","","","","","","","","","","","","C12H16F3N3O4","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NOC(=C1)C","SZKHGLQOYFICIL-UHFFFAOYSA-N","383674",NA,"PDBC32582","672092","Present"
-"C12H19N7O4","","","","","","","","","","","","","","","","","","","","C12H19N7O4","","CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N=NN(C)C)CC(CO)O","ZFIGJLVPWKXGGB-CCEZHUSRSA-N","5469137",NA,"PDBC32583","683604","Present"
-"C12H6ClF8NO3","","","","","","","","","","","","","","","","","","","","C12H6ClF8NO3","","CCOC(=O)C(C(F)(F)F)(NC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)Cl","YRMNVTUWZMPAIT-UHFFFAOYSA-N","389139",NA,"PDBC32584","684824","Present"
-"C12H6N6O4","","","","","","","","","","","","","","","","","","","","C12H6N6O4","","C1=CC(=CC=C1N2N=C3C=CC4=[N+](ON=C4C3=N2)[O-])[N+](=O)[O-]","UPAMUXWAWYUUJZ-UHFFFAOYSA-N","382096",NA,"PDBC32585","669455","Present"
-"C12H9F12N3O2","","","","","","","","","","","","","","","","","","","","C12H9F12N3O2","","C1COCCN1C2=NC(N=C(O2)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F","BSPNIFNLIXMQIQ-UHFFFAOYSA-N","383682",NA,"PDBC32586","672100","Present"
-"C12H9N7O8","","","","","","","","","","","","","","","","","","","","C12H9N7O8","","C1CC(C2=NN(N=C2C1([N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)([N+](=O)[O-])[N+](=O)[O-]","KGCOFTBOJHNAME-UHFFFAOYSA-N","379400",NA,"PDBC32587","663942","Present"
-"C13H13ClF6N2O3","","","","","","","","","","","","","","","","","","","","C13H13ClF6N2O3","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C=CC(=C1)Cl)OC","UKSPRGNYLGUYSA-UHFFFAOYSA-N","383567",NA,"PDBC32588","671985","Present"
-"C13H17BrN4O3","","","","","","","","","","","","","","","","","","","","C13H17BrN4O3","","CC(=O)CCCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C","FUOVLWFMUJGYNB-UHFFFAOYSA-N","386044",NA,"PDBC32589","677610","Present"
-"C14951","","","","","","","","","","","","","","","","","","","","C14951","","C1=CC=C(C(=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3)Cl","ZKALLZGPPRUEMZ-UHFFFAOYSA-N","249677",NA,"PDBC32590","68249","Present"
-"C14965","","","","","","","","","","","","","","","","","","","","C14965","","CS(=O)(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2","QCUCGCOGDWOQNC-UHFFFAOYSA-N","248621",NA,"PDBC32591","65938","Present"
-"C14992","","","","","","","","","","","","","","","","","","","","C14992","","CC(=O)OC1=CC2=CCC3C4CCC(=O)C4(CC(=O)C3(C2(CC1)C)S)C","AQIYOMKPFQCODB-NHUSPQTBSA-N","240982",NA,"PDBC32592","48010","Present"
-"C14H13Cl3N2O3S","","","","","","","","","","","","","","","","","","","","C14H13Cl3N2O3S","","C1COCCN1C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","PDUJPJAFFIKCSE-WYMLVPIESA-N","1617553",NA,"PDBC32593","673151","Present"
-"C14H20BrCl2N3O2","","","","","","","","","","","","","","","","","","","","NSC673155","","C1CCN(CC1)C(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])N2CCCCC2","SZCPOCVBTOVBKE-ACCUITESSA-N","1617554",NA,"PDBC32594","673155","Present"
-"C14H20Cl3N3O2","","","","","","","","","","","","","","","","","","","","C14H20Cl3N3O2","","C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2CCCCC2","LMONVEOEQYURAX-UHFFFAOYSA-N","379892",NA,"PDBC32595","665084","Present"
-"C14H9BrN2OS","","","","","","","","","","","","","","","","","","","","C14H9BrN2OS","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br","QKAYVYBXACWVEN-UHFFFAOYSA-N","767296",NA,"PDBC32596","639729","Present"
-"C15014","","","","","","","","","","","","","","","","","","","","C15014","","CC12CCC3C(C1CC(=NO)C2=O)CCC4=C3C=CC(=C4)OCC=C","YEDFYMKASYROKP-BODGLHNHSA-N","9561873",NA,"PDBC32597","82489","Present"
-"C15162","","","","","","","","","","","","","","","","","","","","C15162","","CCC1=C(C(OC2=C1C=CC(=C2CN3CCCC3)O)(C)C)C4=CC=C(C=C4)OC","SBRIHEHOOSDSDU-UHFFFAOYSA-N","257434",NA,"PDBC32598","85450","Present"
-"C15H12N2O3","","","","","","","","","","","","","","","","","","","","C15H12N2O3","","CC1=C(ON=C1C)NC2=CC(=O)C(=O)C3=CC=CC=C32","VNVKTYUMZHBALO-UHFFFAOYSA-N","133732",NA,"PDBC32599","673787","Present"
-"C15H21N3S","","","","","","","","","","","","","","","","","","","","C15H21N3S","","C=CCN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3","OHBBEMCCNREWPO-UHFFFAOYSA-N","2919324",NA,"PDBC32600","665950","Present"
-"C15H9Br2N3O2","","","","","","","","","","","","","","","","","","","","C15H9Br2N3O2","","C1=CC=NC(=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=N)Br)Br","IGBZSXLHZZLNDS-UHFFFAOYSA-N","395959",NA,"PDBC32601","701083","Present"
-"C16-AMS","","","","","","","","","","","","","","","","","","","","C16-AMS","","CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O","ISYQHZMNRMKGOH-VJUOEERUSA-N","155813854",NA,"PDBC32602","789871","Present"
-"C16H17F6NO3","","","","","","","","","","","","","","","","","","","","C16H17F6NO3","","CCC1(COC1)COC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=CC=C2","AKFTVGCBIPTMHH-UHFFFAOYSA-N","383661",NA,"PDBC32603","672079","Present"
-"C16H18F6N2O3","","","","","","","","","","","","","","","","","","","","C16H18F6N2O3","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCC1=CC(=CC=C1)C(F)(F)F","IYWPSMCNQLMKKH-UHFFFAOYSA-N","389135",NA,"PDBC32604","684820","Present"
-"C16H18N6O2S3","","","","","","","","","","","","","","","","","","","","C16H18N6O2S3","","CC1=CC(=NN1C(=O)CSC2=NN=C(S2)SCC(=O)N3C(=CC(=N3)C)C)C","MBFWVUNREPVRJW-UHFFFAOYSA-N","396455",NA,"PDBC32605","702428","Present"
-"C17H11N3S","","","","","","","","","","","","","","","","","","","","C17H11N3S","","CN1C2=CC=CC=C2N3C1=C(C(=S)C4=CC=CC=C43)C#N","HKUHHLUMELAXPT-UHFFFAOYSA-N","392510",NA,"PDBC32606","693027","Present"
-"C17H18ClNO3S","","","","","","","","","","","","","","","","","","","","C17H18ClNO3S","","CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)CCl","MQUQNUAYKLCRME-UHFFFAOYSA-N","9824",NA,"PDBC32607","89167","Present"
-"C17H26F3N3O4S","","","","","","","","","","","","","","","","","","","","C17H26F3N3O4S","","CCOC(=O)C(C(F)(F)F)(NC(=O)N(C1CCCCC1)C2=NCC(S2)C)OC","RBVQLKSRTDJHBW-UHFFFAOYSA-N","401441",NA,"PDBC32608","715101","Present"
-"C17H8N2O2S","","","","","","","","","","","","","","","","","","","","C17H8N2O2S","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC4=NC5=CC=CC=C5N34","LJPYJTSXEVAGSB-UHFFFAOYSA-N","380630",NA,"PDBC32609","666305","Present"
-"C18H19ClN2O","","","","","","","","","","","","","","","","","","","","C18H19ClN2O","","COC1=CC=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3.Cl","QMJGOWGNDWTVIH-UHFFFAOYSA-N","198915",NA,"PDBC32610","628013","Present"
-"C18H26N6O2S3","","","","","","","","","","","","","","","","","","","","C18H26N6O2S3","","C1CCC(=NNC(=O)CSC2=NN=C(S2)SCC(=O)NN=C3CCCCC3)CC1","SXPGVKFECHJASN-UHFFFAOYSA-N","396454",NA,"PDBC32611","702427","Present"
-"C18H33NO4","","","","","","","","","","","","","","","","","","","","C18H33NO4","","CC1(C2CCC1(C(C2)NC(=O)CCOCCOCCOC)C)C","ZSWXTNGZQGBTQX-UHFFFAOYSA-N","379927",NA,"PDBC32612","665119","Present"
-"C19H23F3N4O6S","","","","","","","","","","","","","","","","","","","","C19H23F3N4O6S","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C","QNLREGMUIGZUPP-UHFFFAOYSA-N","384763",NA,"PDBC32613","675199","Present"
-"C19H33Cl2NS2","","","","","","","","","","","","","","","","","","","","C19H33Cl2NS2","","CCCCCCCCCCNCCSSCC1=CC=C(C=C1)Cl.Cl","JQHUAYXPNPTQRO-UHFFFAOYSA-N","361263",NA,"PDBC32614","624206","Present"
-"C1=CC=C2C(N=C3C=CC(=CN33)Br)=C3C(=O)C(=O)C2=C1","","","","","","","","","","","","","","","","","","","","9-bromo-naphtho[1',2':4,5]-imidazo[1,2-a]pyridine-5,6-dione","","C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=C(C=CC4=N3)Br","UQXHMDDSVSOYHR-UHFFFAOYSA-N","19610873",NA,"PDBC32615","795138","Present"
-"C2 Carbonyl plus ester, prodigiosine","","","","","","","","","","","","","","","","","","","","C2 carbonyl plus ester, prodigiosine","","CC1=C(NC(=C1C(=O)CCC(=O)OC)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","ZWFPCOUWWCVGRD-HVHKRRFMSA-N","135540843",NA,"PDBC32616","742415","Present"
-"C20H12Br2O2","","","","","","","","","","","","","","","","","","","","C20H12Br2O2","","C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)Br)O)O)C=C1Br","OORIFUHRGQKYEV-UHFFFAOYSA-N","222842",NA,"PDBC32617","9772","Present"
-"C20H26O8","","","","","","","","","","","","","","","","","","","","C20H26O8","","CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)O)OC","YNVNVUVIHRYHDO-UHFFFAOYSA-N","386768",NA,"PDBC32618","679447","Present"
-"C21H11BrN2O2S","","","","","","","","","","","","","","","","","","","","C21H11BrN2O2S","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CC4=CC=C(C=C4)Br)C#N","UCOFMYNMZBTRCX-OQLLNIDSSA-N","5469259",NA,"PDBC32619","684982","Present"
-"C22H12F6O6S2","","","","","","","","","","","","","","","","","","","","C22H12F6O6S2","","C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F","OYJLCOSEYYZULE-UHFFFAOYSA-N","389883",NA,"PDBC32620","686511","Present"
-"C23H25NO2","","","","","","","","","","","","","","","","","","","","C23H25NO2","","CC1=CC2=C(C3=C1OC(C=C3)(C)CCC(C(=C)C)O)NC4=CC=CC=C42","SMFCNLXOVHSDML-UHFFFAOYSA-N","375155",NA,"PDBC32621","654289","Present"
-"C26H14FNO","","","","","","","","","","","","","","","","","","","","C26H14FNO","","C1=CC=C2C(=C1)C=CC3=C2C4=C(C(=N3)C5=CC=C(C=C5)F)C(=O)C6=CC=CC=C64","CJBNMIFWXYXNSU-UHFFFAOYSA-N","394735",NA,"PDBC32622","698403","Present"
-"C26H14N2O3","","","","","","","","","","","","","","","","","","","","C26H14N2O3","","C1=CC=C2C(=C1)C=CC3=C2C4=C(C(=N3)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C6=CC=CC=C64","PZDRNBJSQBNVRO-UHFFFAOYSA-N","394737",NA,"PDBC32623","698405","Present"
-"C26H17BrO8","","","","","","","","","","","","","","","","","","","","C26H17BrO8","","COC1=C(C(=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)Br)O","YAMKYELYNHITHA-UHFFFAOYSA-N","54688730",NA,"PDBC32624","707686","Present"
-"C27H17BrN2O3S","","","","","","","","","","","","","","","","","","","","C27H17BrN2O3S","","C1=CC=C(C=C1)C2=CSC(=N2)C3=C(OC4=C(C3C5=CC=C(C=C5)Br)C(=O)OC6=CC=CC=C64)N","AFILLCXHGDJHDS-UHFFFAOYSA-N","380520",NA,"PDBC32625","666134","Present"
-"C28H19Cl2N3O2S","","","","","","","","","","","","","","","","","","","","C28H19Cl2N3O2S","","CC1=C(C(=C2C(=C(SC2=N1)C(=O)C3=CC=C(C=C3)Cl)N)C4=CC=CC=C4Cl)C(=O)NC5=CC=CC=C5","PLSNWQNFIZVKLC-UHFFFAOYSA-N","396188",NA,"PDBC32626","701736","Present"
-"C28H28BrN3O3","","","","","","","","","","","","","","","","","","","","C28H28BrN3O3","","CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5","AHEAUICPFBCZIT-UHFFFAOYSA-N","403089",NA,"PDBC32627","717561","Present"
-"C39X5DW67C","","","","","","","","","","","","","","","","","","","","C39X5DW67C","","CC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)OC)OC)O","KWEKJLXMURGVRF-UHFFFAOYSA-N","5382216",NA,"PDBC32628","134765","Present"
-"C4 Ester, HCl salt","","","","","","","","","","","","","","","","","","","","C4 ester, carbonyl adjacent to prodigiosine, HCl salt","","CC1=C(NC(=C1C(=O)CCCCC(=O)OC)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","IJEGNTASCRUHGU-JHMJKTBASA-N","135540853",NA,"PDBC32629","742414","Present"
-"C4, Ethyl prodigiosine","","","","","","","","","","","","","","","","","","","","C4, carbonyl, ethyl prodigiosine","","CCC1=C(C(=CC2=C(C(=C(N2)C)C(=O)CCCCC(=O)OC)C)N=C1C3=CC=CN3)C.Cl","CUINQYKBANIQIE-VSOKSMTPSA-N","135540855",NA,"PDBC32630","742416","Present"
-"C5H5N3O4S","","","","","","","","","","","","","","","","","","","","C5H5N3O4S","","C(C(=O)O)SC1=NNC(=O)NC1=O","DIALFHUPRSIJKT-UHFFFAOYSA-N","267911",NA,"PDBC32631","107689","Present"
-"C6H5Cl3N2O3","","","","","","","","","","","","","","","","","","","","C6H5Cl3N2O3","","C1COC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1","SDLVBNSECJGOHA-GQCTYLIASA-N","3004956",NA,"PDBC32632","665108","Present"
-"C6H6N8O2","","","","","","","","","","","","","","","","","","","","C6H6N8O2","","C12C(NC3=NON=C3N1)NC4=NON=C4N2","AFEZRHMPPQJNLD-UHFFFAOYSA-N","392971",NA,"PDBC32633","694213","Present"
-"C6HCl2NO2S4","","","","","","","","","","","","","","","","","","","","C6HCl2NO2S4","","C1(=C(SSC1=O)Cl)NC2=C(SSC2=O)Cl","NWUPBFWMEGIMRD-UHFFFAOYSA-N","402777",NA,"PDBC32634","716984","Present"
-"C8, Carbonyl prodigiosine","","","","","","","","","","","","","","","","","","","","C8, carbonyl prodigiosine","","CC1=C(NC(=C1C(=O)CCCCCCCCC(=O)OC)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","IFDXCSTXUOBXBE-YGCQTIHHSA-N","135540857",NA,"PDBC32635","742417","Present"
-"C8H10F3NO4","","","","","","","","","","","","","","","","","","","","C8H10F3NO4","","CCOC(=O)C(C(F)(F)F)(NC(=O)C=C)O","UKVLQFBMFSYGLS-UHFFFAOYSA-N","389143",NA,"PDBC32636","684828","Present"
-"C9H8Br2N4O","","","","","","","","","","","","","","","","","","","","C9H8Br2N4O","","CN(C)C=NC1=C(C=C(C2=NON=C12)Br)Br","ZTXGNJINSKGESD-UHFFFAOYSA-N","379416",NA,"PDBC32637","663958","Present"
-"CA-1160","","","","","","","","","","","","","","","","","","","","CA-1160","","CC1=C(C=C(C=C1)NC2=NC(=O)NC(=O)N2)N","ZLQSJHBUJSFYFF-UHFFFAOYSA-N","389524",NA,"PDBC32638","685815","Present"
-"CAA100925","","","","","","","","","","","","","","","","","","","","CAA100925","","CCOC1=CC=CC=C1C=C(C#N)C(=O)N","GTVCQYRQARFCIP-YFHOEESVSA-N","5458264",NA,"PDBC32639","134666","Present"
-"CAA102427","","","","","","","","","","","","","","","","","","","","CAA102427","","COC1=CC(=C(C=C1)C=C(C#N)C(=O)N)OC","WPPQGZFEWZSGOX-UITAMQMPSA-N","5458263",NA,"PDBC32640","134664","Present"
-"CAA103153","","","","","","","","","","","","","","","","","","","","CAA103153","","COC1=C(C=C(C=C1)C=C(C#N)C(=O)N)OC","UHGNGGISEFEZHE-UITAMQMPSA-N","5458265",NA,"PDBC32641","134667","Present"
-"CAA103213","","","","","","","","","","","","","","","","","","","","CAA103213","","COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)O","XGWRIMMSDUGXTL-YWEYNIOJSA-N","720870",NA,"PDBC32642","134672","Present"
-"CANDICIDIN","","","","","","","","","","","","","","","","","","","","NSC94219","","","","",NA,"PDBC32643","94219","Present"
-"CAS# 5150-31-2","","","","","","","","","","","","","","","","","","","","CAS# 5150-31-2","","COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC4=C(C=C3)OCO4","BWGOSISPGLXOML-UHFFFAOYSA-N","5384605",NA,"PDBC32644","349011","Present"
-"CAS-902261-63-6","","","","","","","","","","","","","","","","","","","","CAS-902261-63-6","","C1CCNCC1.C1CCN(CC1)CC2=CNC3=C2C(=O)NC=N3","PLVRWVNQTYMHQU-UHFFFAOYSA-N","135403634",NA,"PDBC32645","64337","Present"
-"CB-5083","","","","","","","","","","","","","","","","","","","","CB-5083","","CC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)C(=O)N","RDALZZCKQFLGJP-UHFFFAOYSA-N","73051434",NA,"PDBC32646","786100","Present"
-"CB-64D","","","","","","","","","","","","","","","","","","","","CB-64D","","CN1CCC2(CC1C(=CC3=CC=CC=C3)C(=O)C2)C4=CC(=CC=C4)O","YVMTWTZIAIUURI-VQSNLYSRSA-N","9927617",NA,"PDBC32647","754350","Present"
-"CBDivE_001133","","","","","","","","","","","","","","","","","","","","CBDivE_001133","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N=NC2=C(NC3=C2C=C(C=C3)Br)O","KQFHUSASHXEWQP-UHFFFAOYSA-N","3761400",NA,"PDBC32648","649164","Present"
-"CBDivE_002367","","","","","","","","","","","","","","","","","","","","CBDivE_002367","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)C3=CC=CC=C3O","FSSFZQBAHGKEQZ-UHFFFAOYSA-N","366687",NA,"PDBC32649","635404","Present"
-"CBDivE_004302","","","","","","","","","","","","","","","","","","","","CBDivE_004302","","CCOC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2","MBOSLJJAFXHOQG-UHFFFAOYSA-N","367741",NA,"PDBC32650","637680","Present"
-"CBDivE_005484","","","","","","","","","","","","","","","","","","","","CBDivE_005484","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)N","MOIMPUQANPQHJY-UHFFFAOYSA-N","395945",NA,"PDBC32651","701069","Present"
-"CBDivE_005586","","","","","","","","","","","","","","","","","","","","CBDivE_005586","","C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)O)C(=O)O","WPNQLRHQPSJNDY-UHFFFAOYSA-N","332281",NA,"PDBC32652","328481","Present"
-"CBDivE_006349","","","","","","","","","","","","","","","","","","","","CBDivE_006349","","CN1C(=O)N(C2(C1(C3=CC=CC=C3C2=O)O)O)C","OCRUWUQNJDFMRO-UHFFFAOYSA-N","368004",NA,"PDBC32653","638233","Present"
-"CBDivE_006775","","","","","","","","","","","","","","","","","","","","CBDivE_006775","","C1=CC2=C(C=CC3=C2C(=C1)C(=O)N4C3=NC5=C4C=CC(=C5)CC6=CC7=C(C=C6)N8C(=N7)C9=C1C(=C(C=C9)N)C=CC=C1C8=O)N","NIXMYOVVMNDVLE-UHFFFAOYSA-N","389848",NA,"PDBC32654","686480","Present"
-"CBDivE_006924","","","","","","","","","","","","","","","","","","","","CBDivE_006924","","C1=CC=C2C(=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2","NMWNNVAECBLGFO-UHFFFAOYSA-N","3106764",NA,"PDBC32655","665105","Present"
-"CBDivE_007004","","","","","","","","","","","","","","","","","","","","CBDivE_007004","","CC1=CC(=NN1C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C(=CC(=N2)C)C)C","LNBNQWBVPSUAHH-UHFFFAOYSA-N","386279",NA,"PDBC32656","678036","Present"
-"CBDivE_008237","","","","","","","","","","","","","","","","","","","","CBDivE_008237","","C1=CC(=CC=C1C=NC2=CC=C(C=C2)O)C=NC3=CC=C(C=C3)O","WPKCAAZPBXYJCW-UHFFFAOYSA-N","294858",NA,"PDBC32657","163944","Present"
-"CBDivE_008255","","","","","","","","","","","","","","","","","","","","CBDivE_008255","","C1=CC=C2C(=C1)N=C(S2)SCCSC3=NC4=CC=CC=C4S3","SLNISRYXTNUMTF-UHFFFAOYSA-N","302689",NA,"PDBC32658","190382","Present"
-"CBDivE_010114","","","","","","","","","","","","","","","","","","","","CBDivE_010114","","C1=CC=C2C(=C1)C3=NN=C(C=C3C2=O)C4=CC=C(C=C4)Cl","JFJICFFERUCIOU-UHFFFAOYSA-N","379339",NA,"PDBC32659","663885","Present"
-"CBDivE_010406","","","","","","","","","","","","","","","","","","","","CBDivE_010406","","C1=CC=C2C(=C1)NC(=O)C(=N2)C=C(C(F)F)O","UWMTWXQQGBNZEW-UITAMQMPSA-N","135406220",NA,"PDBC32660","672151","Present"
-"CBDivE_010613","","","","","","","","","","","","","","","","","","","","CBDivE_010613","","CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)C","RMFPMCARNSZRLJ-UHFFFAOYSA-N","391242",NA,"PDBC32661","690139","Present"
-"CBDivE_012193","","","","","","","","","","","","","","","","","","","","CBDivE_012193","","CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N","WHUVAJFXXFPQAJ-UHFFFAOYSA-N","389570",NA,"PDBC32662","685877","Present"
-"CBDivE_012195","","","","","","","","","","","","","","","","","","","","CBDivE_012195","","CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N","GGIAHEUYQBDTAI-UHFFFAOYSA-N","389568",NA,"PDBC32663","685875","Present"
-"CBDivE_014298","","","","","","","","","","","","","","","","","","","","CBDivE_014298","","CN(C)CCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)Br","BIMDMCJUWJXNSQ-UHFFFAOYSA-N","396126",NA,"PDBC32664","701670","Present"
-"CBDivE_014984","","","","","","","","","","","","","","","","","","","","CBDivE_014984","","C1=CC(=CC=C1C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C(C4=CC=C(C=C4)Cl)O)O)Cl","BZHRXDOBVMVKBT-KBZHBASMSA-N","135489835",NA,"PDBC32665","682583","Present"
-"CBDivE_015109","","","","","","","","","","","","","","","","","","","","CBDivE_015109","","C1=CC=C(C=C1)C2=NNC(=C2)C3=CC(=NN3)C4=CC=CC=C4","OPTSFAWNMXRWHT-UHFFFAOYSA-N","388120",NA,"PDBC32666","682585","Present"
-"CBDivE_015113","","","","","","","","","","","","","","","","","","","","CBDivE_015113","","C1=CC(=CC=C1C2=NNC(=C2)C3=CC(=NN3)C4=CC=C(C=C4)Cl)Cl","FPHOXKBGWGCBAX-UHFFFAOYSA-N","388121",NA,"PDBC32667","682586","Present"
-"CBDivE_015630","","","","","","","","","","","","","","","","","","","","CBDivE_015630","","C1=CC=C2C(=C1)N=C(C(=O)O2)C=C(C3=CC=C(C=C3)[N+](=O)[O-])O","MTCMNOVWMJSGKP-ZROIWOOFSA-N","135473062",NA,"PDBC32668","682570","Present"
-"CBDivE_015785","","","","","","","","","","","","","","","","","","","","CBDivE_015785","","CC(C)(C)C1=CC(=NN1)C2=NNC(=C2)C(C)(C)C","WLQYNNUYUHUWEJ-UHFFFAOYSA-N","391128",NA,"PDBC32669","689825","Present"
-"CBKinase1_002186","","","","","","","","","","","","","","","","","","","","CBKinase1_002186","","C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]","PYPLLNCCLNXPDB-UHFFFAOYSA-N","366855",NA,"PDBC32670","635834","Present"
-"CBL-0137 free base","","","","","","","","","","","","","","","","","","","","CBL-0137","","CC(C)NCCN1C2=C(C=C(C=C2)C(=O)C)C3=C1C=CC(=C3)C(=O)C","JKCSODVERGVDLT-UHFFFAOYSA-N","44519124",NA,"PDBC32671","789040","Present"
-"CBMicro_001647","","","","","","","","","","","","","","","","","","","","CBMicro_001647","","CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OC(C)C(=O)O","UJGVKTUGTHSXJA-UHFFFAOYSA-N","363670",NA,"PDBC32672","628743","Present"
-"CBMicro_003060","","","","","","","","","","","","","","","","","","","","CBMicro_003060","","C1=CC(=C(C=C1Cl)Cl)OCC2=NC(=S)NN2","OYUKXIGPQQNPDH-UHFFFAOYSA-N","746822",NA,"PDBC32673","634489","Present"
-"CBMicro_003366","","","","","","","","","","","","","","","","","","","","CBMicro_003366","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3OC)C(=O)NC4=CC=CC=C4","KJSNQOBRCPFNSJ-UHFFFAOYSA-N","364524",NA,"PDBC32674","630910","Present"
-"CBMicro_004985","","","","","","","","","","","","","","","","","","","","CBMicro_004985","","CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1","ULEHMWWQIZHLHN-UHFFFAOYSA-N","209395",NA,"PDBC32675","153330","Present"
-"CBMicro_005242","","","","","","","","","","","","","","","","","","","","CBMicro_005242","","CCOC(=O)C1=C(NC(=O)NC1C2=C(C=C(C=C2)OC)OC)C","CYXWVPZJHIEGDK-UHFFFAOYSA-N","370616",NA,"PDBC32676","643909","Present"
-"CBMicro_005382","","","","","","","","","","","","","","","","","","","","CBMicro_005382","","COC1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl","MRZLWMYZXMVHKE-UHFFFAOYSA-N","269707",NA,"PDBC32677","111194","Present"
-"CBMicro_006661","","","","","","","","","","","","","","","","","","","","CBMicro_006661","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=CC=C2","CZHCDTXIWCBSSU-UHFFFAOYSA-N","367471",NA,"PDBC32678","637203","Present"
-"CBMicro_012158","","","","","","","","","","","","","","","","","","","","CBMicro_012158","","CN1C(=O)C=C(NC1=O)NCCC2=CC=CC=C2","JQGUTCXSMSQWOD-UHFFFAOYSA-N","385872",NA,"PDBC32679","677272","Present"
-"CBMicro_014121","","","","","","","","","","","","","","","","","","","","CBMicro_014121","","C1CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC6=C(C=C5)OCO6)C(=O)C1","KXLPRLARGJJIRQ-UHFFFAOYSA-N","394739",NA,"PDBC32680","698407","Present"
-"CBMicro_014156","","","","","","","","","","","","","","","","","","","","CBMicro_014156","","CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NOC(=C1)C","CUTGNEMLXISGIL-UHFFFAOYSA-N","383576",NA,"PDBC32681","671994","Present"
-"CBMicro_014371","","","","","","","","","","","","","","","","","","","","CBMicro_014371","","CC1=NC(=C(O1)O)C=C2C(=O)C=CC3=CC=CC=C32","DYJHHQVXGTWGQT-WQLSENKSSA-N","135451145",NA,"PDBC32682","630886","Present"
-"CBMicro_014858","","","","","","","","","","","","","","","","","","","","CBMicro_014858","","C1=CC=C(C=C1)C2=CC(=O)C(O2)C3C(=O)NC4=CC=CC=C4N3","VWSXFUINYBNAIR-UHFFFAOYSA-N","389684",NA,"PDBC32683","686139","Present"
-"CBMicro_014898","","","","","","","","","","","","","","","","","","","","CBMicro_014898","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)C3=CC=CC=C3N","JJBHGXUOVNZMRV-UHFFFAOYSA-N","388109",NA,"PDBC32684","682574","Present"
-"CBMicro_015774","","","","","","","","","","","","","","","","","","","","CBMicro_015774","","CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC","SQELFMOZMHVIGU-UHFFFAOYSA-N","402655",NA,"PDBC32685","716830","Present"
-"CBMicro_016052","","","","","","","","","","","","","","","","","","","","CBMicro_016052","","CC1(CC2=C(C(C(C(=S)N2)(CC=C)C#N)C3=CC=CC=C3)C(=O)C1)C","GTKXLBOZPDTRNC-UHFFFAOYSA-N","2838147",NA,"PDBC32686","707699","Present"
-"CBMicro_016193","","","","","","","","","","","","","","","","","","","","CBMicro_016193","","CCOC(=O)N1CCN(CC1)C(=O)NC2=CC=CC3=CC=CC=C32","ZMPLXBACRCPNKB-UHFFFAOYSA-N","379219",NA,"PDBC32687","663635","Present"
-"CBMicro_019032","","","","","","","","","","","","","","","","","","","","CBMicro_019032","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC(=CC=C1)F","KGMLTQCQTSEXKL-UHFFFAOYSA-N","383560",NA,"PDBC32688","671978","Present"
-"CBMicro_019457","","","","","","","","","","","","","","","","","","","","CBMicro_019457","","CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)NC4=CC=CC=C4)N","PNYKDEUPHBQKLO-UHFFFAOYSA-N","391247",NA,"PDBC32689","690144","Present"
-"CBMicro_020581","","","","","","","","","","","","","","","","","","","","CBMicro_020581","","C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=C(C=C3)N)O","KFRYAJUTOBAFDT-UHFFFAOYSA-N","359736",NA,"PDBC32690","621182","Present"
-"CBMicro_021216","","","","","","","","","","","","","","","","","","","","CBMicro_021216","","C1=CC=C(C=C1)NNC2=NNC(=S)N2NC3=CC=CC=C3","ZKROGKDKZNBCDE-UHFFFAOYSA-N","812842",NA,"PDBC32691","707055","Present"
-"CBMicro_023136","","","","","","","","","","","","","","","","","","","","CBMicro_023136","","C1CCN(C1)C(=S)N=NC2=C(NC3=CC=CC=C32)O","MKKGVKPJCXSLAG-UHFFFAOYSA-N","381666",NA,"PDBC32692","668494","Present"
-"CBMicro_023391","","","","","","","","","","","","","","","","","","","","CBMicro_023391","","CC1=C(C(=NC(=N1)NC2=CC(=CC=C2)OC)NC3=CC(=CC=C3)OC)[N+](=O)[O-]","IZKDSSXDJUOGEM-UHFFFAOYSA-N","403009",NA,"PDBC32693","717482","Present"
-"CBMicro_024229","","","","","","","","","","","","","","","","","","","","CBMicro_024229","","C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C(C=C4)O)OC3=O","IKLXGICISXJRPJ-UHFFFAOYSA-N","135455478",NA,"PDBC32694","608068","Present"
-"CBMicro_026908","","","","","","","","","","","","","","","","","","","","CBMicro_026908","","CC1=NC2=C(O1)C3=CC=CC=C3NC2=O","PVKDPHIJTKZPKN-UHFFFAOYSA-N","389386",NA,"PDBC32695","685452","Present"
-"CBMicro_027445","","","","","","","","","","","","","","","","","","","","CBMicro_027445","","C1C=CCC(C1C(=O)NC2=CC(=CC=C2)O)C(=O)O","ZWYQUQOTFJTIRZ-UHFFFAOYSA-N","307086",NA,"PDBC32696","204794","Present"
-"CBMicro_029217","","","","","","","","","","","","","","","","","","","","CBMicro_029217","","CC(C1=CC=CC=C1)NC2=CC(=O)N(C(=O)N2)C","URWIDELBYUBXFQ-UHFFFAOYSA-N","496045",NA,"PDBC32697","677270","Present"
-"CBMicro_029986","","","","","","","","","","","","","","","","","","","","CBMicro_029986","","CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C(=O)OCC)C)C","YSDNGJONQCXVPU-UHFFFAOYSA-N","376363",NA,"PDBC32698","657195","Present"
-"CBMicro_033716","","","","","","","","","","","","","","","","","","","","CBMicro_033716","","C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC(=CC=C3)Cl","WOZXXHLZWJDNPP-UHFFFAOYSA-N","366117",NA,"PDBC32699","634404","Present"
-"CBMicro_034100","","","","","","","","","","","","","","","","","","","","CBMicro_034100","","CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N","HRTJVCUWYSKTTP-UHFFFAOYSA-N","365337",NA,"PDBC32700","632928","Present"
-"CBMicro_037298","","","","","","","","","","","","","","","","","","","","CBMicro_037298","","CC1=C(C(=NN1C2=NC3=CC=CC=C3S2)C)OC4=CC=CC=C4O","RCROWWJZFXZSGB-UHFFFAOYSA-N","2313402",NA,"PDBC32701","746418","Present"
-"CBMicro_039934","","","","","","","","","","","","","","","","","","","","CBMicro_039934","","CC(=O)C1(CC(C(=C1N)C#N)(C#N)C#N)C","UETVOTZHZXZQBS-UHFFFAOYSA-N","387750",NA,"PDBC32702","681779","Present"
-"CBMicro_041006","","","","","","","","","","","","","","","","","","","","CBMicro_041006","","CCOC(=O)CC(C(=O)OCC)NC(=O)C1=C(NC=N1)[N+](=O)[O-]","SWRNPPNDMCHMOG-UHFFFAOYSA-N","135408975",NA,"PDBC32703","651362","Present"
-"CBMicro_045675","","","","","","","","","","","","","","","","","","","","CBMicro_045675","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C","GOYGMLRWQGILHI-UHFFFAOYSA-N","389235",NA,"PDBC32704","684988","Present"
-"CBMicro_047950","","","","","","","","","","","","","","","","","","","","CBMicro_047950","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)Cl","GQGVHBJCYBJLKT-UHFFFAOYSA-N","1086986",NA,"PDBC32705","693338","Present"
-"CBMicro_048201","","","","","","","","","","","","","","","","","","","","CBMicro_048201","","C1=CC=C(C=C1)N2C(=O)C3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)N2","LHPUJOVDVWHOGP-UHFFFAOYSA-N","380638",NA,"PDBC32706","666314","Present"
-"CBMicro_048295","","","","","","","","","","","","","","","","","","","","CBMicro_048295","","CC1=C(C2(CCCCC2)C(=C(N1)SCC(=O)NC3=CC=C(C=C3)Br)C#N)C(=O)NC4=CC=CC=C4","NNMLPEJYMBXXEB-UHFFFAOYSA-N","397585",NA,"PDBC32707","705926","Present"
-"CC 9095","","","","","","","","","","","","","","","","","","","","CC 9095","","CCOC(=O)C(C)NC(=O)N(C)C12CC3CC(C1)CC(C3)C2","BQMZASIEUOBBES-UHFFFAOYSA-N","308222",NA,"PDBC32708","208913","Present"
-"CC-671","","","","","","","","","","","","","","","","","","","","CC-671","","CC1=NC2=C(O1)C=C(C=C2)C3=CNC4=C3C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)NC)OC)OC6CCCC6","CWJLAVRXVFHDSJ-UHFFFAOYSA-N","117881270",NA,"PDBC32709","805746","Present"
-"CC-90003","","","","","","","","","","","","","","","","","","","","CC-90003","","CC1=CC(=C(C=C1)NC2=NC(=NC=C2C(F)(F)F)NC3=CC(=NC=C3C)OC)NC(=O)C=C","ILUKRINUNLAVMH-UHFFFAOYSA-N","90331177",NA,"PDBC32710","808792","Present"
-"CCRIS 7542","","","","","","","","","","","","","","","","","","","","CCRIS 7542","","CCN(CC)CCCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)O)C","QLYLRFLMYPPPSP-UHFFFAOYSA-N","154500",NA,"PDBC32711","647751","Present"
-"CCT-241533","","","","","","","","","","","","","","","","","","","","CCT-241533","","CC(C)(C1CNCC1NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=C(C=CC(=C4)F)O)O","HZASIAXCPXTISQ-NVXWUHKLSA-N","135564841",NA,"PDBC32712","776821","Present"
-"CCT-245737","","","","","","","","","","","","","","","","","","","","CCT-245737","","C1COC(CN1)CNC2=CC(=NC=C2C(F)(F)F)NC3=NC=C(N=C3)C#N","YBYYWUUUGCNAHQ-LLVKDONJSA-N","72165232",NA,"PDBC32713","793726","Present"
-"CCT-251545","","","","","","","","","","","","","","","","","","","","CCT-251545","","CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC(=C3N4CCC5(CCNC5=O)CC4)Cl","LBFYQISQYCGDDW-UHFFFAOYSA-N","77050682",NA,"PDBC32714","784591","Present"
-"CCT-251921","","","","","","","","","","","","","","","","","","","","CCT-251921","","CN1C2=C(C=C(C=C2)C3=CN=C(C(=C3N4CCC5(CCNC5=O)CC4)Cl)N)C=N1","VPJXPDLMACOGIZ-UHFFFAOYSA-N","74222277",NA,"PDBC32715","793727","Present"
-"CCT-271850","","","","","","","","","","","","","","","","","","","","CCT-271850","","CC(C(C)(C)C)NC1=NC=CC2=CN=C(N=C21)NC3=C(C=C(C=C3)C4=CN(N=C4)C)OC","XTJZKALDRPVFSN-HNNXBMFYSA-N","73386882",NA,"PDBC32716","789044","Present"
-"CCc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Br)c4","","","","","","","","","","","","","","","","","","","","NSC756110","","CCC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=CC=C4)Br","TVRQIJHUBFBZDM-UHFFFAOYSA-N","118715256",NA,"PDBC32717","756110","Present"
-"CCc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Cl)c4","","","","","","","","","","","","","","","","","","","","NSC756111","","CCC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=CC=C4)Cl","DGRGEYSAUCFBTB-UHFFFAOYSA-N","118715257",NA,"PDBC32718","756111","Present"
-"CD-1505","","","","","","","","","","","","","","","","","","","","CD-1505","","C1=CC(=O)NC(=C1)C2=CC=CC(=O)N2","POJMWJLYXGXUNU-UHFFFAOYSA-N","363601",NA,"PDBC32719","628596","Present"
-"CDDO-Im","","","","","","","","","","","","","","","","","","","","CDDO-Im","","CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)N6C=CN=C6)C","ITFBYYCNYVFPKD-FMIDTUQUSA-N","9958995",NA,"PDBC32720","727038","Present"
-"CDPI-trimer methyl ester","","","","","","","","","","","","","","","","","","","","CDPI-trimer methyl ester","","COC(=O)C1=CC2=C(N1)C=CC3=C2CCN3C(=O)C4=CC5=C(N4)C=CC6=C5CCN6C(=O)C7=CC8=C(N7)C=CC9=C8CCN9C(=O)N","VLRLXYPQDGAEDH-UHFFFAOYSA-N","356692",NA,"PDBC32721","613575","Present"
-"CDUWGXAMCSADHI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","CDUWGXAMCSADHI-UHFFFAOYSA-N","","COC1=C(C(=C2C(=C1)CCCNC2=O)OC)OC","CDUWGXAMCSADHI-UHFFFAOYSA-N","359094",NA,"PDBC32722","619619","Present"
-"CEP-14083","","","","","","","","","","","","","","","","","","","","CEP-14083","","CCN1C(=O)CCCC2=C1C=CC(=C2OC)NC3=NC=C(C(=N3)NC4C5CC(C4C(=O)N)C=C5)Cl","GLGNXYJARSMNGJ-AUZIBOLKSA-N","155813557",NA,"PDBC32723","766824","Present"
-"CEP-40783","","","","","","","","","","","","","","","","","","","","CEP-40783","","CC(C)N1C=C(C(=O)N(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OC)OC)F","FKCWHHYUMFGOPY-UHFFFAOYSA-N","71576419",NA,"PDBC32724","797770","Present"
-"CFG-920","","","","","","","","","","","","","","","","","","","","CFG-920","","CC1=C(C=NC=C1)N2CCN(C2=O)C3=CC(=NC=C3)Cl","ZVIFCOOHWGNPHJ-UHFFFAOYSA-N","49871869",NA,"PDBC32725","787827","Present"
-"CFG0931IY0","","","","","","","","","","","","","","","","","","","","CFG0931IY0","","CC1=C(C(=O)C2=C(C1=O)OCCCO2)C","YQLZSRJSXMDSRZ-UHFFFAOYSA-N","341020",NA,"PDBC32726","372390","Present"
-"CFHZNSBPDDMPQF-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","CFHZNSBPDDMPQF-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C3=C(N2)N4C=CSC4=N3","CFHZNSBPDDMPQF-UHFFFAOYSA-N","367303",NA,"PDBC32727","364634","Present"
-"CFI-400945 (free base)","","","","","","","","","","","","","","","","","","","","CFI-400945","","CC1CN(CC(O1)C)CC2=CC=C(C=C2)C=CC3=NNC4=C3C=CC(=C4)C5CC56C7=C(C=CC(=C7)OC)NC6=O","DADASRPKWOGKCU-FVTQAUBDSA-N","58486178",NA,"PDBC32728","791966","Present"
-"CFQVRXZCCTVTIK-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","CFQVRXZCCTVTIK-UHFFFAOYSA-N","","CN1CCC23C4C(C(C=C2C1CC5=C3C(=C(C=C5)OC)O4)I)(OC)OC","CFQVRXZCCTVTIK-UHFFFAOYSA-N","398249",NA,"PDBC32729","707848","Present"
-"CG-806","","","","","","","","","","","","","","","","","","","","CG-806","","CC1=CN=C(N1)C2=C3C(=C(C=C2)C4=C(C=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)F)CNC3=O","BOLRZWTVMUHQQU-UHFFFAOYSA-N","66981446",NA,"PDBC32730","810717","Present"
-"CGNBLWJMIUAMMC-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","CGNBLWJMIUAMMC-UHFFFAOYSA-N","","C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC(=NC(=N2)Cl)Cl","CGNBLWJMIUAMMC-UHFFFAOYSA-N","372837",NA,"PDBC32731","648495","Present"
-"CGP 57380","","","","","","","","","","","","","","","","","","","","CGP 57380","","C1=CC(=CC=C1NC2=C3C(=NC=NC3=NN2)N)F","UQPMANVRZYYQMD-UHFFFAOYSA-N","11644425",NA,"PDBC32732","741567","Present"
-"CGP 74514A","","","","","","","","","","","","","","","","","","","","CGP 74514A","","CCN1C=NC2=C(N=C(N=C21)NC3CCCCC3N)NC4=CC(=CC=C4)Cl","UTBSBSOBZHXMHI-LSDHHAIUSA-N","2794188",NA,"PDBC32733","789777","Present"
-"CGS 12066B dimaleate","","","","","","","","","","","","","","","","","","","CGS 12066B dimaleate","","","CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O","HTEVMLYDEWVIQE-SPIKMXEPSA-N","9915956",NA,"PDBC32734","","Absent"
-"CH-7057288","","","","","","","","","","","","","","","","","","","","CH-7057288","","CC1=CC(=CC(=N1)C#CC2=CC3=C(C=C2)C4=C(O3)C(C5=C(C4=O)C=CC(=C5)NS(=O)(=O)C)(C)C)C(=O)NC(C)(C)C","DCGOHGQJHJXBGW-UHFFFAOYSA-N","131839646",NA,"PDBC32735","812052","Present"
-"CHEMBL1652424","","","","","","","","","","","","","","","","","","","","CHEMBL1652424","","CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(=C(C(=O)N3)C)C)C)C","ZQNLHQMVYUYLMK-UHFFFAOYSA-N","135402276",NA,"PDBC32736","791137","Present"
-"CHETOMIN","","","","","","","","","","","","","","","","","","","","CHETOMIN","","CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CN(C4=CC=CC=C43)C56CC78C(=O)N(C(C(=O)N7C5NC9=CC=CC=C69)(SS8)CO)C)C)CO","ZRZWBWPDBOVIGQ-UHFFFAOYSA-N","2693",NA,"PDBC32737","289491","Present"
-"CHLOROZOTOCIN","","","","","","","","","","","","","","","","","","","","CHLOROZOTOCIN","","C(CCl)N(C(=O)NC(C=O)C(C(C(CO)O)O)O)N=O","MKQWTWSXVILIKJ-UHFFFAOYSA-N","301389",NA,"PDBC32738","178248","Present"
-"CID 105031","","","","","","","","","","","","","","","","","","","","Artesunate","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C","FIHJKUPKCHIPAT-UHFFFAOYSA-N","105031",NA,"PDBC32739","712571","Present"
-"CID 127020967","","","","","","","","","","","","","","","","","","","","NSC781493///EC-330","","CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C(C#C)(F)F)O)C5=CC=C(C=C5)C6CC6","OWPPSPZDYGHPAN-GCNJZUOMSA-N","127020967",NA,"PDBC32740","781493///798304","Present"
-"CID 127025628","","","","","","","","","","","","","","","","","","","","2,4-difluoro-N-(2-methoxy-5-(4-(3-(4-(methylsulfonyl)pip...","","COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCN4CCN(CC4)S(=O)(=O)C)NS(=O)(=O)C5=C(C=C(C=C5)F)F","BBRINJUWZRLWKK-UHFFFAOYSA-N","127025628",NA,"PDBC32741","781406","Present"
-"CID 135409126","","","","","","","","","","","","","","","","","","","","3,3''-Dithiobis[spiro[1,2,4-triazine-6(1H),9'-[9H]fluoren]-5(4H)-one]","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)SSC5=NNC6(C7=CC=CC=C7C8=CC=CC=C86)C(=O)N5","YPHGNFUZJXVGOR-UHFFFAOYSA-N","135409126",NA,"PDBC32742","658721","Present"
-"CID 135409203","","","","","","","","","","","","","","","","","","","","3-azidospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-5-one","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)N=[N+]=[N-]","GMAPHHUUSLWAEB-UHFFFAOYSA-N","135409203",NA,"PDBC32743","666168","Present"
-"CID 155809464","","","","","","","","","","","","","","","","","","","","NSC790508","","CC1C2C(C=C3C2(C(CC4C3CCC5C4(CC6=C(C5)N=C7CC8(C(CCC9C8CC(C2(C9=CC3C2(C(C2(O3)CCC(O2)(C)CO)C)O)C)O)CC7=N6)C)C)O)C)OC11CCC(O1)(C)C","NWCLKCODOIVTRK-RZGXCGHNSA-N","155809464",NA,"PDBC32744","790508","Present"
-"CID 155810556","","","","","","","","","","","","","","","","","","","","NSC793532","","CN1CC(C2(C13C4C=C(C=CC4NC3=O)Cl)C(=O)N(C(=S)N2)C5=CC(=C(C=C5)F)Cl)C6=CC=C(C=C6)Cl","PADJHGWYQFIELE-RLZKHAGLSA-N","155810556",NA,"PDBC32745","793532","Present"
-"CID 155811931","","","","","","","","","","","","","","","","","","","","NSC793530","","CN1CC(C2(C13C4C=C(C=CC4NC3=O)Cl)C(=O)N(C(=S)S2)CC=C)C5=CC(=CC=C5)Cl","YQGLKDNCEVYHBJ-IRTODYPQSA-N","155811931",NA,"PDBC32746","793530","Present"
-"CID 155815135","","","","","","","","","","","","","","","","","","","","NSC787877","","C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OCCOCCOCCOCCOCCOCCO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)OP(=O)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)F)OP(=O)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)F)OP(=O)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)O","CDBBTQHVVMUBTD-MHAVOLJWSA-N","155815135",NA,"PDBC32747","787877","Present"
-"CID 155815603","","","","","","","","","","","","","","","","","","","","NSC798800","","C1CCC(CC1)C(=O)C2C3(C4CCCCC4NC3=O)C5CCCN5C26C7CC(CCC7NC6=O)Cl","OHZLEKCZORHMAF-DBJHHGFNSA-N","155815603",NA,"PDBC32748","798800","Present"
-"CID 155926894","","","","","","","","","","","","","","","","","","","","NSC803564","","CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CN=CC(=C3)C#CC4=CN=C(C=C4C#N)N)C(F)(F)F","QJQYGFJLDYLAFF-UHFFFAOYSA-N","155926894",NA,"PDBC32749","803564","Present"
-"CID 155926895","","","","","","","","","","","","","","","","","","","","NSC803565","","CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CN=CC(=C3)C#CC4=CN=CC5=C4C=CC=N5)C(F)(F)F","OFYNAGDZPTXZBV-UHFFFAOYSA-N","155926895",NA,"PDBC32750","803565","Present"
-"CID 155926900","","","","","","","","","","","","","","","","","","","","NSC803677","","CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)CC)C(=O)NC(CC5=CC=CC=C5)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CC6=CC=CC=C6)C(=O)N)NC(=O)C(CCCCN)N","QEYPCFDZHOFVID-XKGVPDTNSA-N","155926900",NA,"PDBC32751","803677","Present"
-"CID 155926901","","","","","","","","","","","","","","","","","","","","NSC803676","","CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)N)NC(=O)C(CCC(=O)N)N","IALAVARAWRSENN-QHMUUANFSA-N","155926901",NA,"PDBC32752","803676","Present"
-"CID 155927190","","","","","","","","","","","","","","","","","","","","NSC803567","","CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=CN=C5)N","IQYCVMBQFNOCOH-UHFFFAOYSA-N","155927190",NA,"PDBC32753","803567","Present"
-"CID 155927465","","","","","","","","","","","","","","","","","","","","NSC803678","","CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CC6=CN=CN6)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC(=O)C(CC7=CN=CN7)N","RUKYUQHYFSHJRU-NHYXYZPXSA-N","155927465",NA,"PDBC32754","803678","Present"
-"CID 155927612","","","","","","","","","","","","","","","","","","","","NSC803572","","C1CC2=C(CC1C#N)C(=NC3=C(C=C4C(=C23)C=NN4)F)C5=C(NN=C5)C(F)(F)F","RBUHYDCTYUXFLT-UHFFFAOYSA-N","155927612",NA,"PDBC32755","803572","Present"
-"CID 155927613","","","","","","","","","","","","","","","","","","","","NSC803563","","CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CN=CC(=C3)C#CC4=CN=C(C5=C4C=CC=N5)N)C(F)(F)F","XIWHTFJGIGNJFL-UHFFFAOYSA-N","155927613",NA,"PDBC32756","803563","Present"
-"CID 155927905","","","","","","","","","","","","","","","","","","","","NSC803566","","CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=NC=C5)N","AUOZAVNFIASSIN-UHFFFAOYSA-N","155927905",NA,"PDBC32757","803566","Present"
-"CID 224641","","","","","","","","","","","","","","","","","","","","NSC13314","","CC(C)NCCCC(C)NC1=CC(=C(C2=C1N=CC=C2)OC)OC.C(=O)(C(=O)O)O","GYBWDZPQFOLZTD-UHFFFAOYSA-N","224641",NA,"PDBC32758","13314","Present"
-"CID 233330","","","","","","","","","","","","","","","","","","","","Asperuloside","","CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O","IBIPGYWNOBGEMH-UHFFFAOYSA-N","233330",NA,"PDBC32759","31760","Present"
-"CID 23606588","","","","","","","","","","","","","","","","","","","","NSC766715","","CC(C)CCC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O","BKARIVRTTVHMED-UHFFFAOYSA-N","23606588",NA,"PDBC32760","766715","Present"
-"CID 23667267","","","","","","","","","","","","","","","","","","","","green s","","CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)O.[Na+]","WDPIZEKLJKBSOZ-UHFFFAOYSA-N","23667267",NA,"PDBC32761","11237","Present"
-"CID 23680575","","","","","","","","","","","","","","","","","","","","Sodium 3-(naphthalen-1-ylsulfonyl)-1,5,2,4-dioxadithiepan-3-ide 2,2,4,4-tetraoxide","","C1COS(=O)(=O)[C-](S(=O)(=O)O1)S(=O)(=O)C2=CC=CC3=CC=CC=C32.[Na+]","TZSGJJRCWBECDX-UHFFFAOYSA-N","23680575",NA,"PDBC32762","679044","Present"
-"CID 23680576","","","","","","","","","","","","","","","","","","","","Sodium 3-(naphthalen-2-ylsulfonyl)-1,5,2,4-dioxadithiepan-3-ide 2,2,4,4-tetraoxide","","C1COS(=O)(=O)[C-](S(=O)(=O)O1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2.[Na+]","DUZVATNJXDHLEI-UHFFFAOYSA-N","23680576",NA,"PDBC32763","679050","Present"
-"CID 24181751","","","","","","","","","","","","","","","","","","","","NSC11229","","CC1=CC(=O)C(=CC1=NC2=CC(=C(C(=C2)Br)O)Br)C(C)C.[Na+]","ZJYVCZHIEJSHBP-UHFFFAOYSA-N","24181751",NA,"PDBC32764","11229","Present"
-"CID 24182329","","","","","","","","","","","","","","","","","","","","NSC15603","","C1(C(O[Sb]OC1C(=O)O)C(=O)O)O.O.O.O.[Na+]","CQSWBTQWGIPIRP-UHFFFAOYSA-N","24182329",NA,"PDBC32765","15603","Present"
-"CID 24182331","","","","","","","","","","","","","","","","","","","","NSC15608///Gluconic acid, cyclic antimonate(III), sodium salt","","C(C1C(O[Sb]O1)C(C(C(=O)O)O)O)O.O.[Na+]","XETIDWFADSADOA-UHFFFAOYSA-N","24182331",NA,"PDBC32766","15608///15609","Present"
-"CID 24202116","","","","","","","","","","","","","","","","","","","","NSC628938","","CSC1=[S+]C2=CC=CC=C2S1.[O-]S(=O)(=O)F","WGGJRQGTCRBMPC-UHFFFAOYSA-M","24202116",NA,"PDBC32767","628938","Present"
-"CID 24202175","","","","","","","","","","","","","","","","","","","","cis-Ammoniumtetramminedisulfitocobaltate(III)","","N.N.N.N.N.[O-]S(=O)(=O)S(=O)(=O)[O-].[Co+3]","YQMFCUZEXBFPAI-UHFFFAOYSA-L","24202175",NA,"PDBC32768","631458","Present"
-"CID 24202594","","","","","","","","","","","","","","","","","","","","NSC702683","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC.NS(=O)[O-]","QQRHWPZDAHJKKB-UHFFFAOYSA-M","24202594",NA,"PDBC32769","702683","Present"
-"CID 250397","","","","","","","","","","","","","","","","","","","","chebulagic acid","","C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O","HGJXAVROWQLCTP-UHFFFAOYSA-N","250397",NA,"PDBC32770","342674","Present"
-"CID 328406","","","","","","","","","","","","","","","","","","","","NSC306822","","CC1=CC=C(C=C1)[Se](=C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C","GPJIPKPGDSCFPH-UHFFFAOYSA-N","328406",NA,"PDBC32771","306822","Present"
-"CID 331313","","","","","","","","","","","","","","","","","","","","NSC322354","","C1C(C(C(C2=C1C(=C3C(=O)C=CC(=O)C3=C2O)O)O)O)O","ZGZWZMZCXRDVGX-ATMGAIRJSA-N","331313",NA,"PDBC32772","322354","Present"
-"CID 3324650","","","","","","","","","","","","","","","","","","","","Serpentine","","CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4","WYTGDNHDOZPMIW-UHFFFAOYSA-O","3324650",NA,"PDBC32773","407301","Present"
-"CID 359243","","","","","","","","","","","","","","","","","","","","NSC619950///NSC619951","","C1CC2(CC3(C1CCC4(C3)OCCO4)C#N)OCCO2","VNQJDJNLASNTQD-UHFFFAOYSA-N","359243",NA,"PDBC32774","619950///619951","Present"
-"CID 359510","","","","","","","","","","","","","","","","","","","","NSC620493","","C1CC2(CC3(C1CC4(C3)OCCO4)C#N)OCCO2","GXEJPZLKSIVTHI-NWDGAFQWSA-N","359510",NA,"PDBC32775","620493","Present"
-"CID 363713","","","","","","","","","","","","","","","","","","","","NSC628873","","CCC(=C=C)C(C(=O)OC)N(CC)CC.Cl","PGJNCYUMOCLNCA-UHFFFAOYSA-N","363713",NA,"PDBC32776","628873","Present"
-"CID 363792","","","","","","","","","","","","","","","","","","","","(methyldispiro[[?]]yl) benzoate","","CC12CCC3(C(=C1CCC24OCCO4)OC(=O)C5=CC=CC=C5)OCCO3","KUDQYNTZJCVUEW-UHFFFAOYSA-N","363792",NA,"PDBC32777","629006","Present"
-"CID 371695","","","","","","","","","","","","","","","","","","","","NSC646145","","CC(C1=CC=CC=C1)N2C3(O2)CCC4(C(C3)CCCC45OCCO5)C","XENZARRASDXGFQ-SJRXSQRESA-N","371695",NA,"PDBC32778","646145","Present"
-"CID 373634","","","","","","","","","","","","","","","","","","","","ditert-butyldispiro[[?]]","","CC(C)(C)C1CCC2(CC1)C3=C(C4(CCC(CC4)C(C)(C)C)C5=C2NC6=CC=CC=C65)NC7=CC=CC=C73","WBSOIHOIQCWXBR-UHFFFAOYSA-N","373634",NA,"PDBC32779","650354","Present"
-"CID 377971","","","","","","","","","","","","","","","","","","","","Naphthalene-1,4-dione, 2-chloro-5,8-dihydroxy- 3-[4-(2-h...","","C1CN(CCN1CCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl","IDZWXPGOGYUGCH-UHFFFAOYSA-N","377971",NA,"PDBC32780","659648","Present"
-"CID 378196","","","","","","","","","","","","","","","","","","","","Naphthalene-1,4-dione, 2-bromo-5,8-dihydroxy- 3-[4-[2-(2...","","C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Br)O)O.Cl","KHCWJSAGGSPDOF-UHFFFAOYSA-N","378196",NA,"PDBC32781","659999","Present"
-"CID 380889","","","","","","","","","","","","","","","","","","","","NSC666673","","CCOP(=O)(C=C=C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC)C)OCC","JIHALSHDGNCNII-ZPIHLPPGSA-N","380889",NA,"PDBC32782","666673","Present"
-"CID 380890","","","","","","","","","","","","","","","","","","","","NSC666674","","CC12CCC3C(C1CCC2=C=CP(=O)(O)O)CCC4=C3C=CC(=C4)OC","PYVQTASVCPATQN-JNOTUFJTSA-N","380890",NA,"PDBC32783","666674","Present"
-"CID 382054","","","","","","","","","","","","","","","","","","","","L-Prolinamide, N,N-dimethyl-L-valyl-L-valyl-N-methyl- L-...","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C.Cl","MRJQTLJSMQOFTP-UHFFFAOYSA-N","382054",NA,"PDBC32784","669356","Present"
-"CID 382222","","","","","","","","","","","","","","","","","","","","(3-[?]-1-amino-propyl)phosphonic acid; picric acid","","CCCC[S+](=O)(CCC(N)P(=O)(O)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]","NAJZRVTYCVMJBY-UHFFFAOYSA-N","382222",NA,"PDBC32785","669679","Present"
-"CID 382226","","","","","","","","","","","","","","","","","","","","NSC669682","","C[S+](=O)(CCC(N)P(=O)(O)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]","FRAIUKVYYGZLQR-UHFFFAOYSA-N","382226",NA,"PDBC32786","669682","Present"
-"CID 383510","","","","","","","","","","","","","","","","","","","","NSC671897","","C1C#CC=CC(C=C=CS1(=O)=O)OC(=O)C2=NC3=CC=CC=C3N=C2","XJUNYBHHLDZXQY-UHFFFAOYSA-N","383510",NA,"PDBC32787","671897","Present"
-"CID 384346","","","","","","","","","","","","","","","","","","","","Calystegine B2","","C1CC2(C(C(C(C1N2)O)O)O)O","FXFBVZOJVHCEDO-FHKSGDNWSA-N","384346",NA,"PDBC32788","674049","Present"
-"CID 384400","","","","","","","","","","","","","","","","","","","","Pyrido[2,3-d]pyrimidin-4-one, 6-[11-(4,4-diphenyl- 1-pip...","","CC1=C(C(=C2C(=N1)N=C(N(C2=O)CCN3CCOCC3)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)CCCCCCCCCCN5CCC(CC5)(C6=CC=CC=C6)C7=CC=CC=C7.Cl","WIDGPCWVVLXSRT-UHFFFAOYSA-N","384400",NA,"PDBC32789","674127","Present"
-"CID 384886","","","","","","","","","","","","","","","","","","","","NSC675561","","CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCC(C25CO5)O)CO)OC(=O)C","YPSVWLQFDWURMS-SQRFMMOFSA-N","384886",NA,"PDBC32790","675561","Present"
-"CID 384887","","","","","","","","","","","","","","","","","","","","NSC675562","","CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCC(C25CO5)O)COC(=O)C)OC(=O)C","XWQPBOZEAVXNBB-VDISTOFGSA-N","384887",NA,"PDBC32791","675562","Present"
-"CID 384888","","","","","","","","","","","","","","","","","","","","NSC675563","","CC1CC(=O)C2(C(C13CC(OC3=O)C4=COC=C4)CCC(C25CO5)OC(=O)C)COC(=O)C","UWRDCNVTKORVMI-UFADYTQUSA-N","384888",NA,"PDBC32792","675563","Present"
-"CID 384890","","","","","","","","","","","","","","","","","","","","NSC675565","","CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCC(C25CO5)OC(=O)C)COC(=O)C)OC(=O)C","RCVVNRBNRKRZGL-XZSAESIDSA-N","384890",NA,"PDBC32793","675565","Present"
-"CID 386231","","","","","","","","","","","","","","","","","","","","Quinoline-5,8-dione, 7-[(3-hydroxy-3-phenyl-2-propyl)ami...","","CC(C(C1=CC=CC=C1)O)NC2=CC(=O)C3=C(C2=O)N=CC=C3","BOVPOLASCBFBRX-UHFFFAOYSA-N","386231",NA,"PDBC32794","677949","Present"
-"CID 386511","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, N-[2-(dimethylamino)ethyl]- 8-met...","","CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC=C3OC)N=C21.Cl","BSZAYAHSZXNOJI-UHFFFAOYSA-N","386511",NA,"PDBC32795","678912","Present"
-"CID 386513","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, 1-chloro-N-[2-(dimethylamino) eth...","","CN(C)CCNC(=O)C1=CC=C(C2=CC3=CC=CC=C3N=C12)Cl.Cl","LGAWIZSPXLDUOF-UHFFFAOYSA-N","386513",NA,"PDBC32796","678913","Present"
-"CID 386514","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, N-[2-(dimethylamino)ethyl]- 1-met...","","CN(C)CCNC(=O)C1=CC=C(C2=CC3=CC=CC=C3N=C12)OC.Cl","RNYRKTWQCNSDBK-UHFFFAOYSA-N","386514",NA,"PDBC32797","678914","Present"
-"CID 389920","","","","","","","","","","","","","","","","","","","","NSC686572","","C1CSC2(S1)C3CC(C4=CC=CC=C34)C5(C2Br)SCCS5","FRLOUEROUMPIGM-PBWFPOADSA-N","389920",NA,"PDBC32798","686572","Present"
-"CID 392616","","","","","","","","","","","","","","","","","","","","(4-Fluorophenyl)methyl-hexadecyl-dimethyl-ammonium chloride","","CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)F.[Cl-]","QOPNBGVTLMPSKY-UHFFFAOYSA-M","392616",NA,"PDBC32799","693172","Present"
-"CID 392739","","","","","","","","","","","","","","","","","","","","NSC693544","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)NC.Cl","FYZKJMWKIWOIDW-UHFFFAOYSA-N","392739",NA,"PDBC32800","693544","Present"
-"CID 393182","","","","","","","","","","","","","","","","","","","","NSC694670","","COC(=O)N1CC2(CCC3(C=C2)OCCO3)C4=CC=CC=C41","AJTCEWRUBSXUBN-INIZCTEOSA-N","393182",NA,"PDBC32801","694670","Present"
-"CID 395621","","","","","","","","","","","","","","","","","","","","NSC700370","","CC1CC(OC(C1=C)CC2C(C(C3C(O2)CC4C(O3)CC5(O4)CC6C(O5)C(CC7(O6)CC(C8C(O7)CC9C(O8)CC(O9)C(CO)O)C)C)C)O)CCC1C(=C)CC(O1)CCC12CC3C(O1)C1C(O3)C(O2)C2C(O1)CCC(O2)CC(=O)OC","LATWLUNXHCRJAD-OSUXSWCVSA-N","395621",NA,"PDBC32802","700370","Present"
-"CID 398332","","","","","","","","","","","","","","","","","","","","NSC708052","","CN1CCC2=C3C1CC4=C(C3=CC(=C2)N)C(=C(C=C4)O)O","MJZQRNCUULBFRH-UHFFFAOYSA-N","398332",NA,"PDBC32803","708052","Present"
-"CID 399092","","","","","","","","","","","","","","","","","","","","NSC709508","","C1C=C(C=CC12C3(O2)COC4=CC=CC=C4C3=O)Cl","CRBUDKIYSKYRSV-UHFFFAOYSA-N","399092",NA,"PDBC32804","709508","Present"
-"CID 399095","","","","","","","","","","","","","","","","","","","","NSC709511","","COC1=C(C(=CC2(C1)C3(O2)COC4=CC=CC=C4C3=O)OC)OC","VPWNKBLLEAZSJZ-UHFFFAOYSA-N","399095",NA,"PDBC32805","709511","Present"
-"CID 400719","","","","","","","","","","","","","","","","","","","","crambescidin 800 trihydrochloride","","CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CC(CCN)O)CCCC(O5)C.Cl.[Cl-]","UAMQJKWLEUINKJ-AFEMADNASA-N","400719",NA,"PDBC32806","713155","Present"
-"CID 400725","","","","","","","","","","","","","","","","","","","","NSC713158","","CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CC(CCN)O)CCCC(O5)C.Cl.[Cl-]","UAMQJKWLEUINKJ-PUQFCTAZSA-N","400725",NA,"PDBC32807","713158","Present"
-"CID 400727","","","","","","","","","","","","","","","","","","","","NSC713159","","CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)O)CCCC(O5)C.[Cl-]","QTJDIRBCSNGXHV-AIPHRTNUSA-N","400727",NA,"PDBC32808","713159","Present"
-"CID 401249","","","","","","","","","","","","","","","","","","","","NSC714462","","CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)OC)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C","IJYOAPGHZWFQRH-CCLJXIRISA-N","401249",NA,"PDBC32809","714462","Present"
-"CID 401250","","","","","","","","","","","","","","","","","","","","4,4'-[(5r,5''r,7r,7''r,10s,10''s,12s,12''s,13r,13''r)-7,7'',12,12''-tetrakis(acetyloxy)-10,10'',13,13''-tetramethyldotriacontahydrodispiro[cyclopenta[a]phenanthrene-3,3'-[1,2,4,5]tetroxane-6',3''-cycl","","CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)O)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C","NCGODAWGXOISMM-OCDOJQNSSA-N","401250",NA,"PDBC32810","714463","Present"
-"CID 401251","","","","","","","","","","","","","","","","","","","","NSC714464","","CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)N)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C","HBVUCHMMQPBKJZ-OCDOJQNSSA-N","401251",NA,"PDBC32811","714464","Present"
-"CID 401252","","","","","","","","","","","","","","","","","","","","NSC714465","","CCCNC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)NCCC)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C","XPLSZLAQWYOLBG-ZHWOOPQRSA-N","401252",NA,"PDBC32812","714465","Present"
-"CID 401634","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-{1-[(2-hydroxycyclohexylidene)methylidene]pentyl}pyrrolidine-1-carboxylate","","CCCCC(=C=C1CCCCC1O)C2CCCN2C(=O)OC(C)(C)C","XEUXNAJQZBXTMJ-UHFFFAOYSA-N","401634",NA,"PDBC32813","715336","Present"
-"CID 402487","","","","","","","","","","","","","","","","","","","","4-Di(propan-2-yloxy)phosphoryl-4-prop-2-ynylsulfanylbuta-1,2-diene","","CC(C)OP(=O)(C(C=C=C)SCC#C)OC(C)C","ZMVDRCNSCYICSD-UHFFFAOYSA-N","402487",NA,"PDBC32814","716513","Present"
-"CID 404151","","","","","","","","","","","","","","","","","","","","7.alpha.,12.alpha.-Diacetoxy-5.beta.-cholan-24-oic acid-...","","CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","YRZOFWYSUVSYSR-BEJKWQIXSA-N","404151",NA,"PDBC32815","720291","Present"
-"CID 404152","","","","","","","","","","","","","","","","","","","","NSC720292","","CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","ATTDEYRJQFTXHA-BEJKWQIXSA-N","404152",NA,"PDBC32816","720292","Present"
-"CID 404159","","","","","","","","","","","","","","","","","","","","NSC720301///NSC720304","","CC1CCC2(CC1)OOC3(CCC4(C(C3)CC(C5C4CC(C6(C5CCC6C(C)CCC(=O)O)C)OC(=O)C)OC(=O)C)C)OO2","WFEQWOQEOCWDMV-ADTQSVSNSA-N","404159",NA,"PDBC32817","720301///720304","Present"
-"CID 404160","","","","","","","","","","","","","","","","","","","","NSC720302///NSC720305","","CC1CCC2(CC1)OOC3(CCC4(C(C3)CC(C5C4CC(C6(C5CCC6C(C)CCC(=O)N)C)OC(=O)C)OC(=O)C)C)OO2","SFYMERLVGXDHSO-ADTQSVSNSA-N","404160",NA,"PDBC32818","720302///720305","Present"
-"CID 404219","","","","","","","","","","","","","","","","","","","","Methyl-12.alpha.-acetoxy-5.beta.cholan-24-oate-3-spiro-6...","","CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)C","YEHJSRMXSFVFQI-ILVCTZPISA-N","404219",NA,"PDBC32819","720386","Present"
-"CID 405251","","","","","","","","","","","","","","","","","","","","WB64","","C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.[Br-]","OZJJJMUCGFOEAH-UHFFFAOYSA-M","405251",NA,"PDBC32820","722363","Present"
-"CID 431671","","","","","","","","","","","","","","","","","","","","HETERATISINE","","CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)O)OC)C","YPSAOPXJHSESSR-UHFFFAOYSA-N","431671",NA,"PDBC32821","295654","Present"
-"CID 4424","","","","","","","","","","","","","","","","","","","","Naloxonazine","","C=CCN1CCC23C4C(=NN=C5CCC6(C7CC8=C9C6(C5OC9=C(C=C8)O)CCN7CC=C)O)CCC2(C1CC1=C3C(=C(C=C1)O)O4)O","AJPSBXJNFJCCBI-UHFFFAOYSA-N","4424",NA,"PDBC32822","612113","Present"
-"CID 45281159","","","","","","","","","","","","","","","","","","","","4-Piperidinone, 1-[3-(dimethylamino)-1-oxopropyl]-3,5- b...","","CN(C)CCC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1.Cl","QQQHJEYQZIKRPM-LBQDPBSMSA-N","45281159",NA,"PDBC32823","634784","Present"
-"CID 46869957","","","","","","","","","","","","","","","","","","","","2,5-dimethyl-N-(6-(morpholinomethyl)quinolin-2-yl)-1-phe...","","CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NC3=NC4=C(C=C3)C=C(C=C4)CN5CCOCC5","GMGBZULUUMXUJI-UHFFFAOYSA-N","46869957",NA,"PDBC32824","755092","Present"
-"CID 5122350","","","","","","","","","","","","","","","","","","","","3-(2,5,6-trimethyl-1,35-benzothiazol-3-yl)propyl hydrogen sulfate","","CC1=CC2=C(C=C1C)SC(=[N+]2CCCOS(=O)(=O)[O-])C","IEMOWXZEHDESAP-UHFFFAOYSA-N","5122350",NA,"PDBC32825","122370","Present"
-"CID 52950904","","","","","","","","","","","","","","","","","","","","3-Hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]naphthalene-2-carboxamide","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC=CC3=CC=C(O3)[N+](=O)[O-])O","LPKRLLPOHYNXMW-ABANGTFTSA-N","52950904",NA,"PDBC32826","750907","Present"
-"CID 5351409","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1-[1-ethyl-4-hydroxy- 4-[2-(4-methylphen...","","CCN1CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)C)(C=CC3=CC=C(C=C3)C)O.Cl","SOSNCYMKWIVYBS-CKUBSENYSA-N","5351409",NA,"PDBC32827","657298","Present"
-"CID 5351849","","","","","","","","","","","","","","","","","","","","NSC64111","","C1=CC=C(C=C1)[P+](CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","CHRKHMGMGKEAAN-UHFFFAOYSA-M","5351849",NA,"PDBC32828","64111","Present"
-"CID 5353772","","","","","","","","","","","","","","","","","","","","MEZEREIN","","CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)C=CC=CC8=CC=CC=C8","DLEDLHFNQDHEOJ-KFGDLTOCSA-N","5353772",NA,"PDBC32829","239072","Present"
-"CID 5381366","","","","","","","","","","","","","","","","","","","","Pregna-4,6-dien-3-one, 11.beta.-hydroxy-2-(hydroxymethyl...","","CC1CC2C3C=C(C4=CC(=O)C(=CO)CC4(C3C(CC2(C15C6(COCO6)OCO5)C)O)C)C","WKLPTHVGGWUGJV-YBEGLDIGSA-N","5381366",NA,"PDBC32830","116339","Present"
-"CID 5383837","","","","","","","","","","","","","","","","","","","","(E)-3-(2,4-Dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid","","C1=C(C(=O)NC(=O)N1)C=CC(=O)O.C1=C(C(=O)NC(=O)N1)C=CC(=O)O","PAOPLHAUUGWSCN-MAZDBSFSSA-N","5383837",NA,"PDBC32831","201239","Present"
-"CID 5384288","","","","","","","","","","","","","","","","","","","","(E)-But-2-enedioic acid;1-[2-(dimethylamino)ethylamino]-2-methoxy-4-methylthioxanthen-9-one","","CC1=CC(=C(C2=C1SC3=CC=CC=C3C2=O)NCCN(C)C)OC.C(=CC(=O)O)C(=O)O","REHIDBKFPHFTPN-WLHGVMLRSA-N","5384288",NA,"PDBC32832","320249","Present"
-"CID 5384422","","","","","","","","","","","","","","","","","","","","NSC330790","","CC(=C1C(=O)OC(=N1)C2=CC=CC=C2)C3=CC=CS3","LEWOKDOCKGJZMC-RAXLEYEMSA-N","5384422",NA,"PDBC32833","330790","Present"
-"CID 5387762","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-5-pentylidene-...","","CCCCC=C1CCC(C1=O)CN(C)C.Cl","VXXNBWRDPYVVQC-AJULUCINSA-N","5387762",NA,"PDBC32834","626878","Present"
-"CID 54602258","","","","","","","","","","","","","","","","","","","","Potassiumethylenediaminetetraazidocobaltate(III)","","C(CN)N.N=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[K+].[Co+3]","VPWAJMQGXNOELQ-UHFFFAOYSA-N","54602258",NA,"PDBC32835","631454","Present"
-"CID 54602403","","","","","","","","","","","","","","","","","","","","NSC15602","","C(C(=O)O)O[Sb]OCC(=O)O.O.O.O.[Na+]","ABUINDDJNHODLX-UHFFFAOYSA-N","54602403",NA,"PDBC32836","15602","Present"
-"CID 54604911","","","","","","","","","","","","","","","","","","","","NSC16865","","C(C(CS)S)O.[Bi]","OAIWQXFETFYYAL-UHFFFAOYSA-N","54604911",NA,"PDBC32837","16865","Present"
-"CID 54605384","","","","","","","","","","","","","","","","","","","","NSC41809","","[Li+].C(C(C(=O)O)S)C(=O)O.[Sb]","WMZQAMHSTDERFS-UHFFFAOYSA-N","54605384",NA,"PDBC32838","41809","Present"
-"CID 5464925","","","","","","","","","","","","","","","","","","","","NSC624725","","CN(C1=CC=CC=C1)C(=NO)C2=CC=CC=C2","XQNPFLAAKWMIDR-PFONDFGASA-N","5464925",NA,"PDBC32839","624725","Present"
-"CID 5465261","","","","","","","","","","","","","","","","","","","","NSC643468","","CCOCN=C(N)NC#N","GYOFNDXYYZXBMV-UHFFFAOYSA-N","5465261",NA,"PDBC32840","643468","Present"
-"CID 5465266","","","","","","","","","","","","","","","","","","","","NSC643475","","COCN=C(N)NC#N","RSKNWCGKYIHOGS-UHFFFAOYSA-N","5465266",NA,"PDBC32841","643475","Present"
-"CID 5468181","","","","","","","","","","","","","","","","","","","","8-[(3-Propylthio)cinnamanilide]-3-methyl-1-phenyl-1,3,8-...","","CN1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=CC=C3NC(=O)C=CC4=CC=CC=C4)C5=CC=CC=C5.Cl","ANCZNDUKTVHPRJ-ZAGWXBKKSA-N","5468181",NA,"PDBC32842","665878","Present"
-"CID 5469617","","","","","","","","","","","","","","","","","","","","NSC690757","","CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3C1=C(C(=C(O3)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC","BIYWMOLCMUADFB-VCHYOVAHSA-N","5469617",NA,"PDBC32843","690757","Present"
-"CID 5469647","","","","","","","","","","","","","","","","","","","","2-Propenone, 1-[1-ethyl-4-hydroxy-4-[2-[4-(1-methylethyl...","","CCN1CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)C(C)C)(C=CC3=CC=C(C=C3)C(C)C)O.Cl","BUCRDCRLMJEEFQ-RWMISWKVSA-N","5469647",NA,"PDBC32844","691273","Present"
-"CID 5470076","","","","","","","","","","","","","","","","","","","","[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] 4-chlorobenzoate;hydrochloride","","CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)C1=O.Cl","HJCIZFCRZJNNMW-LSJACRKWSA-N","5470076",NA,"PDBC32845","697444","Present"
-"CID 57682490","","","","","","","","","","","","","","","","","","","","NSC772992","","CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)([O-])[O-])C","GKDRMWXFWHEQQT-UHFFFAOYSA-L","57682490",NA,"PDBC32846","772992","Present"
-"CID 5915855","","","","","","","","","","","","","","","","","","","","NSC657927","","CCC(=O)NS(=NS(=O)(=O)C1=CC=CC=C1)C(Cl)(Cl)Cl","QQDLLWKHFAEWNP-UHFFFAOYSA-N","5915855",NA,"PDBC32847","657927","Present"
-"CID 5918065","","","","","","","","","","","","","","","","","","","","NSC657926","","C1=CC=C(C=C1)C(=O)NS(=NS(=O)(=O)C2=CC=C(C=C2)Br)C(Cl)(Cl)Cl","KQAAJAGMFAUSBK-UHFFFAOYSA-N","5918065",NA,"PDBC32848","657926","Present"
-"CID 5938450","","","","","","","","","","","","","","","","","","","","NSC676375","","CC(C)C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=NO)CO","NAKRZPMOOYHCAO-DVZOWYKESA-N","5938450",NA,"PDBC32849","676375","Present"
-"CID 6330567","","","","","","","","","","","","","","","","","","","","2-lambda1-Selanylpyridin-3-ol","","C1=CC(=C(N=C1)[Se])O","RDJIZJJDNRHWMP-UHFFFAOYSA-N","6330567",NA,"PDBC32850","374986","Present"
-"CID 6330748","","","","","","","","","","","","","","","","","","","","Boron;(E)-3-chloro-2,3-bis(3,4-dimethoxyphenyl)-N,N-dimethylprop-2-en-1-amine","","[B].CN(C)CC(=C(C1=CC(=C(C=C1)OC)OC)Cl)C2=CC(=C(C=C2)OC)OC","PMRJBUGXGFMLGC-PLMZOXRSSA-N","6330748",NA,"PDBC32851","618113","Present"
-"CID 6331023","","","","","","","","","","","","","","","","","","","","Cyclohexylamineorganogermanium compound","","C1CCC(CC1)N.O[Ge]=O.O[Ge]=O.O=[Ge].O=[Ge]","OVWZOPYHOWCTMQ-UHFFFAOYSA-N","6331023",NA,"PDBC32852","640073","Present"
-"CID 6331025","","","","","","","","","","","","","","","","","","","","N-Methylformamideorganogermanium compound","","CNC=O.O[Ge]=O.O[Ge]=O.O=[Ge].O=[Ge].O=[Ge]","WSVAEIJLWGRJPW-UHFFFAOYSA-N","6331025",NA,"PDBC32853","640074","Present"
-"CID 6331026","","","","","","","","","","","","","","","","","","","",".gamma.-Picolin-organogermanium compound","","CC1=CC=NC=C1.O[Ge]=O.O[Ge]=O.O=[Ge].O=[Ge].O=[Ge].O=[Ge].O=[Ge]","UPMMVDHFWCDFIZ-UHFFFAOYSA-N","6331026",NA,"PDBC32854","640075","Present"
-"CID 6331027","","","","","","","","","","","","","","","","","","","","Hydroxylureal-organogermanium compound","","C(=O)(N)NO.O.O.O.O.O.O.O.O.O.O.O.O[Ge]=O.O=[Ge].O=[Ge].O=[Ge].O=[Ge].[Ge].[Ge].[Ge].[Ge].[Ge]","JVHCFORDXMFMHC-UHFFFAOYSA-N","6331027",NA,"PDBC32855","640076","Present"
-"CID 6331594","","","","","","","","","","","","","","","","","","","","NSC699800","","[B].CS(=O)(=O)OC1CN2CC(C(C2C1CO)O)O","ZRVXGRHJWKTQDH-XIOTWTAQSA-N","6331594",NA,"PDBC32856","699800","Present"
-"CID 6331752","","","","","","","","","","","","","","","","","","","","2-(Aziridin-1-yl)ethoxy-triphenylsilane;boron","","[B].C1CN1CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","RYBIKVCTGCGVDS-UHFFFAOYSA-N","6331752",NA,"PDBC32857","718532","Present"
-"CID 6333604","","","","","","","","","","","","","","","","","","","","NSC274556","","C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.N=[N+]=[N-].[Au+]","GTWLLCQOGOEXQK-UHFFFAOYSA-O","6333604",NA,"PDBC32858","274556","Present"
-"CID 6334368","","","","","","","","","","","","","","","","","","","","NSC618640","","C[N+](C)(C)C.C1=CC=C2C(=C1)C(O[Si-]23C4=CC=CC=C4C(O3)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F","PMGFVUVODXCHHU-UHFFFAOYSA-N","6334368",NA,"PDBC32859","618640","Present"
-"CID 6368539","","","","","","","","","","","","","","","","","","","","Carbon monoxide;platinum;pyridine;trichlorotin","","[C-]#[O+].C1=CC=NC=C1.Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[Pt]","FVPCVPKCIJHNAC-UHFFFAOYSA-H","6368539",NA,"PDBC32860","615540","Present"
-"CID 6381338","","","","","","","","","","","","","","","","","","","","Copper;(dioxo-lambda5-selanyl)benzene","","C1=CC=C(C=C1)[Se](=O)=O.C1=CC=C(C=C1)[Se](=O)=O.[Cu]","QEFKWOOGLPYLQH-UHFFFAOYSA-N","6381338",NA,"PDBC32861","626670","Present"
-"CID 6383225","","","","","","","","","","","","","","","","","","","","Carbon monoxide;1,10-phenanthroline;platinum;trichlorotin","","[C-]#[O+].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[Pt]","QGMDUJHLXQUNAK-UHFFFAOYSA-H","6383225",NA,"PDBC32862","615541","Present"
-"CID 6392756","","","","","","","","","","","","","","","","","","","","Carbon monoxide;platinum;trichlorotin;triphenylphosphanium","","[C-]#[O+].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[Pt]","RCYHWIXGZOOKMQ-UHFFFAOYSA-J","6392756",NA,"PDBC32863","615542","Present"
-"CID 6414726","","","","","","","","","","","","","","","","","","","","(16E)-16-Hydroxyimino-13-methyl-3-(2-methylprop-2-enoxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one","","CC(=C)COC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(=NO)C4=O)C","YQICTZDGXWUAOK-BSYVCWPDSA-N","6414726",NA,"PDBC32864","97845","Present"
-"CID 6419846","","","","","","","","","","","","","","","","","","","","TETRAAMMINECOPPER(2+) DITHIOCYANATE COMPOUND WITH QUINOL...","","C1=CC=C2C(=C1)C=CC=N2.C(=N)=S.C(=N)=S.C(#N)S.[NH2-].[NH2-].[NH2-].[NH2-].[Cu+2]","IPHQEIYXYJCGKY-UHFFFAOYSA-N","6419846",NA,"PDBC32865","2006","Present"
-"CID 6711243","","","","","","","","","","","","","","","","","","","","NSC378727","","CC1C2CC3C4(C2(COC15C(CC(O5)(C)C)O)C(=O)CC6(C4CCC7C6(CC8=NC9=C(CC1(C(C9)CCC2C1CC(C1(C2=CC2C1(C(C1(O2)C(CC(O1)(C)CO)O)C)O)C)O)C)N=C8C7)C)O)O3","SEQUCTGXHCVPLA-DLCGXSAUSA-N","6711243",NA,"PDBC32866","378727","Present"
-"CID 6711246","","","","","","","","","","","","","","","","","","","","NSC378734","","CC1C2C(C=C3C2(C(CC4C3CCC5C4(CC6=NC7=C(CC8(C(C7)CCC9C8CC(C2(C9=CC3C2(C(C2(O3)C(CC(O2)(C)CO)O)C)O)C)O)C)N=C6C5)C)O)CO)OC11CCC(O1)(C)C","AWYLYACMGLGJJG-XSSYFPCESA-N","6711246",NA,"PDBC32867","378734","Present"
-"CID 6711248","","","","","","","","","","","","","","","","","","","","NSC378736","","CC1C2(CCC(O2)(C)C)OC3C1(C4(C(CC5C(C4=C3)CCC6C5(CC7=C(C6)N=C8CC9(C(CCC1C9CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)CC8=N7)C)C)O)C)O","AGIMKWVJNZNTTM-WQBKIXSZSA-N","6711248",NA,"PDBC32868","378736","Present"
-"CID 6711881","","","","","","","","","","","","","","","","","","","","Prehispanolone","","CC1C(=O)CC2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C","MFAYXOLUJJXHCN-YEJLTRTHSA-N","6711881",NA,"PDBC32869","645754","Present"
-"CID 6712884","","","","","","","","","","","","","","","","","","","","NSC718147","","[B-][P+]1(C(C(C(C1C)O)O)C)CC[P+]([B-])(C2=CC=CC=C2)C3=CC=CC=C3OC","ZOYDBNTVLXABTN-DXZZKLBBSA-N","6712884",NA,"PDBC32870","718147","Present"
-"CID 71090129","","","","","","","","","","","","","","","","","","","","GSK-2795039","","CC(C)N1C=C(C2=C(C=CN=C21)NS(=O)(=O)C3=NN(C=C3)C)C4=CC5=C(CCN5C)C=C4","FMWVTCZKCXPKFW-UHFFFAOYSA-N","71090129",NA,"PDBC32871","795781","Present"
-"CID 71565985","","","","","","","","","","","","","","","","","","","","A-1331852","","CC1=C(C=NN1CC23CC4CC(C2)CC(C4)C3)C5=C(N=C(C=C5)N6CCC7=C(C6)C(=CC=C7)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)O","QCQQONWEDCOTBV-UHFFFAOYSA-N","71565985",NA,"PDBC32872","797172","Present"
-"CID 72195175","","","","","","","","","","","","","","","","","","","","4-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-meth...","","CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5","VXLAKHWYGRKCGI-UHFFFAOYSA-N","72195175",NA,"PDBC32873","781143","Present"
-"CID 73388374","","","","","","","","","","","","","","","","","","","","BMS-983970","","C1CC1CC(C(CCC(F)(F)F)C(=O)NC2C(=O)NC3=C(C=CC=C3F)C(=N2)C4=CC=CC=C4)C(=O)N","RANYIWAZSQWERN-WLENULPWSA-N","73388374",NA,"PDBC32874","785222","Present"
-"CID 92967841","","","","","","","","","","","","","","","","","","","","NSC787301","","CC1=C2C(=CC=C1)C3(C(C4(C5N3CCC5)C6=CC=CC=C6NC4=O)C(=O)C7=CC=CC=C7)C(=O)N2","NEPASYFAGKCLAO-PJKQZJAASA-N","92967841",NA,"PDBC32875","787301","Present"
-"CID 9555832","","","","","","","","","","","","","","","","","","","","NSC640635","","C1=CC=C(C=C1)C=CC=NN(C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","CMZPQMALKOQRAD-WMMOABOTSA-N","9555832",NA,"PDBC32876","640635","Present"
-"CID 9555833","","","","","","","","","","","","","","","","","","","","N-(5,6-Diphenyl-1,2,4-triazin-3-yl)-4-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)N=CC=CC5=CC=CC=C5","CFXWVTWKHHLPGS-WEWOMUTJSA-N","9555833",NA,"PDBC32877","640636","Present"
-"CID 9556371","","","","","","","","","","","","","","","","","","","","N-[(E)-[(E)-3-Phenylprop-2-enylidene]amino]-2-[2-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]anilino]benzamide","","C1=CC=C(C=C1)C=CC=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=CC=CC4=CC=CC=C4","GJYVKGCNQSPMNZ-FLBAODLISA-N","9556371",NA,"PDBC32878","698451","Present"
-"CID 9569863","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-4-(1,3-Benzodioxol-5-yl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC3=C(C=C2)OCO3","XUGJFKHVMVEQAN-RYOQUFEFSA-N","9569863",NA,"PDBC32879","622589","Present"
-"CID 9571928","","","","","","","","","","","","","","","","","","","","N-[(E)-Benzylideneamino]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine","","CC1=NN=C2N1N=C(S2)NN=CC3=CC=CC=C3","UVVKBPXCVLOPED-KPKJPENVSA-N","9571928",NA,"PDBC32880","671879","Present"
-"CID 9572046","","","","","","","","","","","","","","","","","","","","5-Fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","CC(=NNC1=NC2=C(S1)C=CC(=C2)F)C3=CC=CC=N3","BVNKDAAWEJTNOD-GIJQJNRQSA-N","9572046",NA,"PDBC32881","693634","Present"
-"CID 9572072","","","","","","","","","","","","","","","","","","","","N-[(E)-Benzylideneamino]-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide","","C1=CC=C(C=C1)C=NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","SGMRMKDBAITTTN-DHRITJCHSA-N","9572072",NA,"PDBC32882","698981","Present"
-"CID 9572172","","","","","","","","","","","","","","","","","","","","1-Amino-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylguanidine","","CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NN","NFHWOGYGBKSJQM-UHFFFAOYSA-N","9572172",NA,"PDBC32883","706440","Present"
-"CID 9572192","","","","","","","","","","","","","","","","","","","","2-(1-Benzofuran-2-ylsulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine","","C1=CC=C2C(=C1)C=C(O2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","STCIEHOODYEFGY-UHFFFAOYSA-N","9572192",NA,"PDBC32884","707035","Present"
-"CID 9572196","","","","","","","","","","","","","","","","","","","","2-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine","","C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","FNFNWKBCEZPBNZ-UHFFFAOYSA-N","9572196",NA,"PDBC32885","707039","Present"
-"CID 9572197","","","","","","","","","","","","","","","","","","","","2-[4-(Benzenesulfonyl)thiophen-2-yl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine","","C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","FHFSEVUNCUEQSP-UHFFFAOYSA-N","9572197",NA,"PDBC32886","707040","Present"
-"CID 9572201","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonyl-3-hydroxyguanidine","","C1=CC(=CC=C1NC(=NS(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)NO)Cl","CQXSUMLIDYGCAP-UHFFFAOYSA-N","9572201",NA,"PDBC32887","707044","Present"
-"CID 9572203","","","","","","","","","","","","","","","","","","","","1-(3,4-Dichlorophenyl)-3-hydroxy-2-(4-methylphenyl)sulfonylguanidine","","CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC(=C(C=C2)Cl)Cl)NO","BJVFDSKJOZDNIL-UHFFFAOYSA-N","9572203",NA,"PDBC32888","707046","Present"
-"CID 9572216","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonylguanidine","","C1=CC(=CC=C1NC(=NS(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)N)Cl","BQXSHLSSKFEOEN-UHFFFAOYSA-N","9572216",NA,"PDBC32889","707407","Present"
-"CID 9572570","","","","","","","","","","","","","","","","","","","","(NE)-N-[1-[3-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine","","CC(=NO)C1=CC(=CC=C1)NC2=C3C=COC3=NC4=CC=CC=C42","FKMZLVVEWLPHHR-WSDLNYQXSA-N","9572570",NA,"PDBC32890","720556","Present"
-"CID 9572571","","","","","","","","","","","","","","","","","","","","N-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine","","CC(=NOC)C1=CC(=CC=C1)NC2=C3C=COC3=NC4=CC=CC=C42","RWIMYYCFWKUDTR-YDZHTSKRSA-N","9572571",NA,"PDBC32891","720557","Present"
-"CID 9572611","","","","","","","","","","","","","","","","","","","","4-(1,3-Benzodioxol-5-yl)-2-[(2E)-2-benzylidenehydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile","","CN1C(=O)C(=C(N=C1NN=CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C#N","VWSBWOBVIKFZOP-SSDVNMTOSA-N","9572611",NA,"PDBC32892","722326","Present"
-"CID 9604911","","","","","","","","","","","","","","","","","","","","GW784752X","","COC1=CC=CC(=C1)N2C3=NC=NC(=C3C=N2)NN=CC4=CC=NC=C4","PVIMTNAWPMEBAK-LSHDLFTRSA-N","9604911",NA,"PDBC32893","756350","Present"
-"CID 9821433","","","","","","","","","","","","","","","","","","","","NSC759817","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C","FIHJKUPKCHIPAT-AXFKQHSWSA-N","9821433",NA,"PDBC32894","759817","Present"
-"CIL-102","","","","","","","","","","","","","","","","","","","","CIL-102","","CC(=O)C1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42","VJDPGTFIMDGXDQ-UHFFFAOYSA-N","404353",NA,"PDBC32895","720555","Present"
-"CINNAMIC ACID, o-NITRO-alpha-PHENYL-","","","","","","","","","","","","","","","","","","","","NSC642586","","C1=CC=C(C=C1)C(=CC2=CC=CC=C2[N+](=O)[O-])C(=O)O","YLWQPIVSPODKCB-JLHYYAGUSA-N","5466750",NA,"PDBC32896","642586","Present"
-"CK2 inhibitor D11","","","","","","","","","","","","","","","","","","","","CK2 inhibitor D11","","COC1=CC=C(C=C1)N=CC2=C(C=CC3=C2OC4=CC(=C(C(=C34)Cl)O)Cl)O","UWXKHLVNEQUSFY-UHFFFAOYSA-N","342396",NA,"PDBC32897","379099","Present"
-"CL 82198 hydrochloride","","","","","","","","","","","","","","","","","","","","CL-82198 CalBioChem Cat. No. 233105","","C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2.Cl","PIOACXKZWXHBRB-UHFFFAOYSA-N","16760373",NA,"PDBC32898","727677","Present"
-"CL-298741;Ytr-830H","","","","","","","","","","","","","","","","","","","","tazobactam (usan)","","CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3","LPQZKKCYTLCDGQ-KTOWXAHTSA-N","51371314",NA,"PDBC32899","759887","Present"
-"CM-1048","","","","","","","","","","","","","","","","","","","","CM-1048","","CN1C2=CC=CC=C2C=C1C(C3(SCCCS3)C4=CN=CC=C4)O","HSJHPWVNBPKEQJ-UHFFFAOYSA-N","393322",NA,"PDBC32900","694987","Present"
-"CNDAC","","","","","","","","","","","","","","","","","","","","CNDAC","","C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)C#N","DCYBPMFXJCWXNB-PIWGOKLLSA-N","57616470",NA,"PDBC32901","793679","Present"
-"COBSHTCVQBUXRU-VIFPVBQESA-N","","","","","","","","","","","","","","","","","","","","COBSHTCVQBUXRU-VIFPVBQESA-N","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)O","COBSHTCVQBUXRU-VIFPVBQESA-N","396540",NA,"PDBC32902","703010","Present"
-"COC183B2 antibody","","","","","","","","","","","","","","","","","","","","COC183B2 antibody","","","","",NA,"PDBC32903","740291","Present"
-"COG112","","","","","","","","","","","","","","","","","","","","COG112","","","","",NA,"PDBC32904","781421","Present"
-"COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Br)c4","","","","","","","","","","","","","","","","","","","","NSC756095","","COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=CC=C4)Br","KWTPYZVIVMRWIC-UHFFFAOYSA-N","118715245",NA,"PDBC32905","756095","Present"
-"COc1cccc(c1)C2C3=C(COC3=O)N(CCO)c4cc(OC)ccc24","","","","","","","","","","","","","","","","","","","","NSC756092","","COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=CC=C4)OC","KMSFNUUSZSXKIZ-UHFFFAOYSA-N","118715243",NA,"PDBC32906","756092","Present"
-"CP-547632","","","","","","","","","","","","","","","","","","","","CP-547632","","C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N","HXHAJRMTJXHJJZ-UHFFFAOYSA-N","9811611",NA,"PDBC32907","800077","Present"
-"CP-91149","","","","","","","","","","","","","","","","","","","","CP-91149","","CN(C)C(=O)C(C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O","HINJNZFCMLSBCI-PKOBYXMFSA-N","9843900",NA,"PDBC32908","761690","Present"
-"CPAKZZASGNMFCD-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","CPAKZZASGNMFCD-UHFFFAOYSA-N","","CC(C)CC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2","CPAKZZASGNMFCD-UHFFFAOYSA-N","384768",NA,"PDBC32909","675204","Present"
-"CPI-0610 anhydrous","","","","","","","","","","","","","","","","","","","","CPI-0610","","CC1=NOC2=C1C3=CC=CC=C3C(=NC2CC(=O)N)C4=CC=C(C=C4)Cl","GCWIQUVXWZWCLE-INIZCTEOSA-N","57389999",NA,"PDBC32910","784856","Present"
-"CPI-1205","","","","","","","","","","","","","","","","","","","","CPI-1205","","CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)C(C)C4CCN(CC4)CC(F)(F)F)C)OC","HPODOLXTMDHLLC-QGZVFWFLSA-N","78320408",NA,"PDBC32911","793430","Present"
-"CPI-169 racemate","","","","","","","","","","","","","","","","","","","","CPI-169","","CCS(=O)(=O)N1CCC(CC1)C(C)N2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C","LHGUZCKPFXXVPV-UHFFFAOYSA-N","78357814",NA,"PDBC32912","782310","Present"
-"CPI-455","","","","","","","","","","","","","","","","","","","","CPI-455","","CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CC=CC=C3","VGXRQCOVGLGFIM-UHFFFAOYSA-N","78426698",NA,"PDBC32913","825282","Present"
-"CREBANINE","","","","","","","","","","","","","","","","","","","","CREBANINE","","CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3","UVDQDNQWGQFIAO-CQSZACIVSA-N","333544",NA,"PDBC32914","335648","Present"
-"CS-0094876","","","","","","","","","","","","","","","","","","","","CS-0094876","","COC(=O)C1=C2CCCC2=CC3=C1CCC3","GJVIXJNHMXGNBX-UHFFFAOYSA-N","382668",NA,"PDBC32915","670316","Present"
-"CS-B1099","","","","","","","","","","","","","","","","","","","","CS-B1099","","CC1(OC2C(OC(C2O1)N3C=NC(=NC3=O)N)CO)C","JPOUCJFPOOJFME-UHFFFAOYSA-N","319607",NA,"PDBC32916","264079","Present"
-"CS-M1043","","","","","","","","","","","","","","","","","","","","CS-M1043","","CC(C)(C)OC(=O)N1CCCC1(CCCCl)C(=O)OC","JXSBVGITDYKWEC-UHFFFAOYSA-N","394148",NA,"PDBC32917","697382","Present"
-"CS-W001447","","","","","","","","","","","","","","","","","","","","CS-W001447","","CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)NN2","DTLXVAXCKABFRY-UHFFFAOYSA-N","384447",NA,"PDBC32918","674228","Present"
-"CSA13","","","","","","","","","","","","","","","","","","","","CSA13","","CCCCCCCCNCCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCCN)C)OCCCN)OCCCN)C","YDYLISNLJUDIGF-QLFRQJPNSA-N","24205348",NA,"PDBC32919","735211","Present"
-"CT-482","","","","","","","","","","","","","","","","","","","","CT-482","","CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C","QDJDXOLMFCSORQ-UHFFFAOYSA-N","135451950",NA,"PDBC32920","634741","Present"
-"CT1042","","","","","","","","","","","","","","","","","","","","CT1042","","CN(CC1=CC=C(C=C1)C(F)(F)F)CC(C(=O)NC2=CC=C(C=C2)Cl)O","HGEMJGANXMBYFL-UHFFFAOYSA-N","155810824",NA,"PDBC32921","798198","Present"
-"CTRXHSDVFVFXGZ-UHFFFAOYSA-","","","","","","","","","","","","","","","","","","","","CTRXHSDVFVFXGZ-UHFFFAOYSA-","","CC1=C2C(=NNC2=O)CCN1C3=CC=C(C=C3)Br","CTRXHSDVFVFXGZ-UHFFFAOYSA-N","394790",NA,"PDBC32922","698575","Present"
-"CUDC-427","","","","","","","","","","","","","","","","","","","","CUDC-427","","CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3=C(N=C(S3)C4=NC=CO4)C5=CC=CC=C5)NC","HSHPBORBOJIXSQ-HARLFGEKSA-N","71600094",NA,"PDBC32923","781468","Present"
-"CVEZBHGHRFJNSR-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","CVEZBHGHRFJNSR-UHFFFAOYSA-N","","CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C4=CC=CC=C4CC3","CVEZBHGHRFJNSR-UHFFFAOYSA-N","390901",NA,"PDBC32924","689076","Present"
-"CVTKHBONQJBXKR-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","CVTKHBONQJBXKR-UHFFFAOYSA-N","","C1C(C(=O)NC2=CC=CC=C2S1)N","CVTKHBONQJBXKR-UHFFFAOYSA-N","357334",NA,"PDBC32925","615600","Present"
-"CYCLOARTOCARPIN","","","","","","","","","","","","","","","","","","","","CYCLOARTOCARPIN","","CC(C)C=CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)OC","FWIXOUMETCCFPO-SOFGYWHQSA-N","5458462",NA,"PDBC32926","241011","Present"
-"Cacodylic acid","","","","","","","","","","","","","","","","","","","","dmaa","","C[As](=O)(C)O","OGGXGZAMXPVRFZ-UHFFFAOYSA-N","2513",NA,"PDBC32927","103115","Present"
-"Cacodylic acid, sodium salt","","","","","","","","","","","","","","","","","","","","Alkarsodyl","","C[As](=O)(C)O.[Na+]","IHQKEDIOMGYHEB-UHFFFAOYSA-N","23615615",NA,"PDBC32928","1910","Present"
-"Cacotheline","","","","","","","","","","","","","","","","","","","","cacotheline (8ci)","","C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O","IVEMPCACOMNRGI-UHFFFAOYSA-N","221125",NA,"PDBC32929","5069","Present"
-"Cactinomycin","","","","","","","","","","","","","","","","","","","","Cactinomycin","","","","",NA,"PDBC32930","18268","Present"
-"Cadambine","","","","","","","","","","","","","","","","","","","","Cadambine","","COC(=O)C1=COC(C2C1CC34C5=C(CCN3CC2O4)C6=CC=CC=C6N5)OC7C(C(C(C(O7)CO)O)O)O","OVRROYYXOBYCSR-UHFFFAOYSA-N","398038",NA,"PDBC32931","707140","Present"
-"Cadiaine","","","","","","","","","","","","","","","","","","","","Cadiaine","","C1CC2C3CC(CN2C(=O)C1)C4CC(CCN4C3)OC(=O)C5=CC=C(C=C5)O","UZNOIYSGPGTEIH-AFKBCAQJSA-N","334776",NA,"PDBC32932","341585","Present"
-"Cadmium chloride","","","","","","","","","","","","","","","","","","","","Caddy","","Cl[Cd]Cl","YKYOUMDCQGMQQO-UHFFFAOYSA-L","24947",NA,"PDBC32933","51148","Present"
-"Cadmium(2+);methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate","","","","","","","","","","","","","","","","","","","","Cadmium(2+);methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate","","CC1=CC2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)OC)CCC(=O)OC)C)C=C3C.[Cd+2]","SUECBVCZZHRSHF-UHFFFAOYSA-N","3551195",NA,"PDBC32934","33202","Present"
-"Cadmium,O)dichloro-","","","","","","","","","","","","","","","","","","","","Cadmium, bis(2-amino-2-methyl-1-propanol-N,O)dichloro-","","CC(C)(CO)[NH-].CC(C)(CO)[NH-].Cl[Cd]Cl","VUSVRGODDTYFNN-UHFFFAOYSA-L","412646",NA,"PDBC32935","40693","Present"
-"Cadmium;1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","Cadmium;1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid","","C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O.[Cd]","DNTKXOBGRPJSCS-UHFFFAOYSA-N","5351702",NA,"PDBC32936","22225","Present"
-"Cadmium;2-diphenylphosphorylacetic acid","","","","","","","","","","","","","","","","","","","","Cadmium;2-diphenylphosphorylacetic acid","","C1=CC=C(C=C1)P(=O)(CC(=O)O)C2=CC=CC=C2.C1=CC=C(C=C1)P(=O)(CC(=O)O)C2=CC=CC=C2.[Cd]","FGWZCFCHGJRBJM-UHFFFAOYSA-N","426571",NA,"PDBC32937","194270","Present"
-"Caerulomycin A","","","","","","","","","","","","","","","","","","","","Caerulomycin","","COC1=CC(=NC(=C1)C2=CC=CC=N2)C=NO","JCTRJRHLGOKMCF-ZSOIEALJSA-N","135478684",NA,"PDBC32938","114341","Present"
-"Caesaldekarin C","","","","","","","","","","","","","","","","","","","","Caesaldekarin C","","CC1C2CCC3(C(C2CC4=C1C=CO4)(CCCC3(C)C(=O)OC)C)O","GMCXIFIKPROBFX-ZOJTVGBFSA-N","10712612",NA,"PDBC32939","734353","Present"
-"Caesaldekarin F","","","","","","","","","","","","","","","","","","","","Caesaldekarin F","","CC12CCCC(C1(CCC3C2CC4=C(C3=C)C=CO4)O)(C)C(=O)OC","DLOQRHPCAVGJOL-KXLDAGHISA-N","15381600",NA,"PDBC32940","734354","Present"
-"Caesaljapin","","","","","","","","","","","","","","","","","","","","Caesaljapin","","CC1C2CCC3C(CCCC3(C2CC4=C1C=CO4)C(=O)O)(C)C(=O)OC","BUDZNKDGXHMPRO-ISGQYPEVSA-N","6712179",NA,"PDBC32941","658116","Present"
-"Cajanone","","","","","","","","","","","","","","","","","","","","CAJANONE","","CC(=CCC1=CC(=C(C=C1O)O)C2COC3=C(C2=O)C(=C4C=CC(OC4=C3)(C)C)O)C","BAKSOIVZFARRJC-UHFFFAOYSA-N","325518",NA,"PDBC32942","294409","Present"
-"Calcein","","","","","","","","","","","","","","","","","","","","calcein","","C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)OC5=C3C=C(C(=C5)O)CN(CC(=O)O)CC(=O)O","DEGAKNSWVGKMLS-UHFFFAOYSA-N","65079",NA,"PDBC32943","298193","Present"
-"Calcein AM","","","","","","","","","","","","","","","","","","","","calcein am","","CC(=O)OCOC(=O)CN(CC1=CC2=C(C=C1OC(=O)C)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=C(C(=C3)OC(=O)C)CN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C","BQRGNLJZBFXNCZ-UHFFFAOYSA-N","390986",NA,"PDBC32944","689290","Present"
-"Calcimycin","","","","","","","","","","","","","","","","","","","Antibiotic A-23187","","","CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC","HIYAVKIYRIFSCZ-CVXKHCKVSA-N","40486",NA,"PDBC32945","","Absent"
-"Calcipotriol","","","","","","","","","","","","","","","","","","","Calcipotriol","","","CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C","LWQQLNNNIPYSNX-UROSTWAQSA-N","5288783",NA,"PDBC32946","","Absent"
-"Calendula","","","","","","","","","","","","","","","","","","","","NSC92227","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C","AJBZENLMTKDAEK-UHFFFAOYSA-N","260656",NA,"PDBC32947","92227","Present"
-"Calendulaglycoside B","","","","","","","","","","","","","","","","","","","","Calendulaglycoside B","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C2C1)C)C(=O)O)C","YDZWHGJRWMQCDP-MQYWXEPLSA-N","24204442",NA,"PDBC32948","731917","Present"
-"Calendulaglycoside B-6'-O-butyl ester","","","","","","","","","","","","","","","","","","","","Calendulaglycoside B-6'-O-butyl ester","","CCCCOC(=O)C1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)O)C)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O","ZVBYEOQPQROTOB-VMVCWVRBSA-N","24204445",NA,"PDBC32949","731920","Present"
-"Calendulaglycoside D-6'-O-methyl ester","","","","","","","","","","","","","","","","","","","","Calendulaglycoside D-6'-O-methyl ester","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C","LZWQMJKDWBMYDJ-MWDVQFAXSA-N","24204447",NA,"PDBC32950","731922","Present"
-"Calendulaglycoside D2","","","","","","","","","","","","","","","","","","","","Calendulaglycoside D2","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C","YOSRLTNUOCHBEA-JHUQDTEWSA-N","24204446",NA,"PDBC32951","731921","Present"
-"Callipeltin A","","","","","","","","","","","","","","","","","","","","Callipeltin A","","CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C)C)C(C2=CC=C(C=C2)O)OC)CCC(=O)N)C)CC(C)C)CCCN=C(N)N)C(C)O)NC(=O)C(C(C)C(C)C(=O)N)NC(=O)C(C(C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(C)C(C(C)CC(C)C)O)O)O","UDTRUOCOOZKCCT-RICYRUERSA-N","392389",NA,"PDBC32952","692753","Present"
-"Callyspongin A","","","","","","","","","","","","","","","","","","","","Callyspongin A","","C#CC=CCCCCC=CC#CC#CCCCC#CC#CC(COS(=O)(=O)O)OS(=O)(=O)O.[Na+]","QUHSAVZHGCXOJV-KIIKPUNRSA-N","54611430",NA,"PDBC32953","695836","Present"
-"Callystatin A","","","","","","","","","","","","","","","","","","","","Callystatin A","","CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1CC=CC(=O)O1)O","QPJTWGLLJWBDQW-KMMMXHTBSA-N","5471086",NA,"PDBC32954","708248","Present"
-"Calmagite","","","","","","","","","","","","","","","","","","","","Calmagite","","CC1=CC(=C(C=C1)O)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O","VBRNLOQCBCPPHL-UHFFFAOYSA-N","2530",NA,"PDBC32955","299391","Present"
-"Calotropin (6CI, 8CI)","","","","","","","","","","","","","","","","","","","","pekilocerin a","","CC1CC(C(=O)C(O1)OC2CC3CCC4C(C3(CC2O)C=O)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O","ZVXUSUPIDOSPHB-UATTZVLQSA-N","286106",NA,"PDBC32956","143925","Present"
-"Calusterone","","","","","","","","","","","","","","","","","","","","Calusterone","","CC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(C)O)C","IVFYLRMMHVYGJH-PVPPCFLZSA-N","28204",NA,"PDBC32957","88536","Present"
-"Calvatic acid","","","","","","","","","","","","","","","","","","","","calvatic acid","","C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-]","LDRFVNKBORCKQS-UHFFFAOYSA-N","99679",NA,"PDBC32958","264713","Present"
-"Calycopterone","","","","","","","","","","","","","","","","","","","","Calycopterone","","COC1CC(OC2=C(C(=C3C(=C12)OC45C3(C(=C(C(=O)C4=CCC(O5)C6=CC=CC=C6)OC)OC)OC)O)OC)C7=CC=CC=C7","CRTQTCGLSVSTRI-DVJPGHMYSA-N","101664521",NA,"PDBC32959","659548","Present"
-"Calyculin A","","","","","","","","","","","","","","","","","","","","Calyculin A","","CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O","FKAWLXNLHHIHLA-RFIHQQHWSA-N","54608024",NA,"PDBC32960","611747","Present"
-"Calystegine B1","","","","","","","","","","","","","","","","","","","","Calystegine B1","","C1C2C(CC(N2)(C(C1O)O)O)O","BQFFLYRIKODYEN-MLKOFDEISA-N","385736",NA,"PDBC32961","677084","Present"
-"Calystegine C1","","","","","","","","","","","","","","","","","","","","Calystegine C1","","C1C(C2C(C(C(C1(N2)O)O)O)O)O","GGOJRYWHKVYFQK-BIWMIDHDSA-N","385737",NA,"PDBC32962","677085","Present"
-"Cambinol","","","","","","","","","","","","","","","","","","","","Cambinol","","C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CC3=C(C=CC4=CC=CC=C43)O","RVNSQVIUFZVNAU-UHFFFAOYSA-N","3246390",NA,"PDBC32963","112546","Present"
-"Cambridge id 5133154","","","","","","","","","","","","","","","","","","","","Cambridge id 5133154","","C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)C6=CC=CC=C6C4=O","UBEKWBZJHSHKCG-UHFFFAOYSA-N","375311",NA,"PDBC32964","654828","Present"
-"Cambridge id 5133753","","","","","","","","","","","","","","","","","","","","Cambridge id 5133753","","C1C2CC34CC5(C2=NOC5=O)CC1C3=NOC4=O","TVSFAFGQDBXMHP-UHFFFAOYSA-N","389846",NA,"PDBC32965","686478","Present"
-"Cambridge id 5148800","","","","","","","","","","","","","","","","","","","","Cambridge id 5148800","","C1=CC=C2C(=C1)NC(=N2)SCC3=C(C(=C(C(=C3F)F)F)F)F","LXTKQRJZROGECH-UHFFFAOYSA-N","383505",NA,"PDBC32966","671890","Present"
-"Cambridge id 5180130","","","","","","","","","","","","","","","","","","","","Cambridge id 5180130","","C1=CC=C(C(=C1)C#N)C2=NC3=C4C(=C(C=C3)N)C(=O)C5=CC=CC=C5C4=N2","VILAGAWWQBIENS-UHFFFAOYSA-N","438959",NA,"PDBC32967","686464","Present"
-"Cambridge id 5180653","","","","","","","","","","","","","","","","","","","","Cambridge id 5180653","","C1=CC=C(C(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)O","YHWKVEPWZDIOJF-UHFFFAOYSA-N","351549",NA,"PDBC32968","522131","Present"
-"Cambridge id 5217724","","","","","","","","","","","","","","","","","","","","Cambridge id 5217724","","C1C(CSC2=NC3=CC=CC=C3N21)O","BLOJMWLHCBDQHM-UHFFFAOYSA-N","380631",NA,"PDBC32969","666306","Present"
-"Cambridge id 5256213","","","","","","","","","","","","","","","","","","","","Cambridge id 5256213","","C1=CC=C(C=C1)N2N=C(C(=N2)C(=O)O)C3=NN(N=C3C(=O)O)C4=CC=CC=C4","UNBAICFIWJSVJP-UHFFFAOYSA-N","379402",NA,"PDBC32970","663944","Present"
-"Cambridge id 5466455","","","","","","","","","","","","","","","","","","","","Cambridge id 5466455","","CC1(CC(=CC(N1)(C)C)N2CCN(CC2)C3=CC(NC(C3)(C)C)(C)C)C","RZPLTVYMCOCISZ-UHFFFAOYSA-N","365211",NA,"PDBC32971","632539","Present"
-"Cambridge id 5538756","","","","","","","","","","","","","","","","","","","","Cambridge id 5538756","","CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Br","MEFLRTKTXNHKIP-UHFFFAOYSA-N","404499",NA,"PDBC32972","720736","Present"
-"Cambridge id 5635204","","","","","","","","","","","","","","","","","","","","Cambridge id 5635204","","C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)NNC4=O","WCCPZQAFQNKUHF-UHFFFAOYSA-N","379883",NA,"PDBC32973","665075","Present"
-"Cambridge id 5657689","","","","","","","","","","","","","","","","","","","","Cambridge id 5657689","","C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C4=NN(C(=C4C#N)N)C5=CC=CC=C5","LRZKIEKWDAVUJQ-RCCKNPSSSA-N","5286855",NA,"PDBC32974","717543","Present"
-"Cambridge id 5721799","","","","","","","","","","","","","","","","","","","","Cambridge id 5721799","","COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3CC3","FQLUIDLLIOYMAV-UHFFFAOYSA-N","398169",NA,"PDBC32975","707701","Present"
-"Cambridge id 5757267","","","","","","","","","","","","","","","","","","","","Cambridge id 5757267","","CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C","JAZXGMOMEKJNCY-UHFFFAOYSA-N","367690",NA,"PDBC32976","637621","Present"
-"Cambridge id 5774470","","","","","","","","","","","","","","","","","","","","Cambridge id 5774470","","CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","XIVBMYDTNXTQBA-UHFFFAOYSA-N","366864",NA,"PDBC32977","635843","Present"
-"Cambridge id 5865107","","","","","","","","","","","","","","","","","","","","Cambridge id 5865107","","C1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]","DBHIBEPVTUDKMX-UHFFFAOYSA-N","387741",NA,"PDBC32978","681770","Present"
-"Cambridge id 6415767","","","","","","","","","","","","","","","","","","","","Cambridge id 6415767","","CC1(CC2=C(C(=O)C1)C3=CC(=C(C=C3O2)O)O)C","YPKVVPNXHVITTF-UHFFFAOYSA-N","363815",NA,"PDBC32979","629030","Present"
-"Cambridge id 6417192","","","","","","","","","","","","","","","","","","","","Cambridge id 6417192","","CC1=CC=C(C=C1)NCC(=O)N2CC(=O)NC3=CC=CC=C32","HORFAQIEWUEEGR-UHFFFAOYSA-N","374860",NA,"PDBC32980","653320","Present"
-"Cambridge id 6755779","","","","","","","","","","","","","","","","","","","","Cambridge id 6755779","","C1=CC=C2C(=C1)C(=O)N3C(=N2)SC(=N3)N","XXSMSLADSNHBTN-UHFFFAOYSA-N","396304",NA,"PDBC32981","702028","Present"
-"Cambridge id 6884547","","","","","","","","","","","","","","","","","","","","Cambridge id 6884547","","C1CN2C(=O)C3=C(N=C2SC1)OC4=C(C3=O)C=C(C=C4)Br","BZTSSXCAQQGXDN-UHFFFAOYSA-N","396091",NA,"PDBC32982","701615","Present"
-"Cambridge id 6894502","","","","","","","","","","","","","","","","","","","","Cambridge id 6894502","","C1CN2C(=O)C3=C(N=C2SC1)OC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]","KKRXSFYSPVGSEZ-UHFFFAOYSA-N","396089",NA,"PDBC32983","701613","Present"
-"Cambridge id 6894852","","","","","","","","","","","","","","","","","","","","Cambridge id 6894852","","C1CN2C(=O)C3=C(N=C2SC1)OC4=C(C3=O)C=C(C=C4Cl)Cl","UPIIQVLFEGVESV-UHFFFAOYSA-N","396088",NA,"PDBC32984","701612","Present"
-"Cambridge id 6921328","","","","","","","","","","","","","","","","","","","","Cambridge id 6921328","","COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4","YVMCVAPSNQKBSD-UHFFFAOYSA-N","401590",NA,"PDBC32985","715286","Present"
-"Cambridge id 6948112","","","","","","","","","","","","","","","","","","","","Cambridge id 6948112","","CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)C","YVMROIPMRPBCTR-UHFFFAOYSA-N","366464",NA,"PDBC32986","634924","Present"
-"Cambridge id 6981662","","","","","","","","","","","","","","","","","","","","Cambridge id 6981662","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)C","UYEJSNFETDFBSI-UHFFFAOYSA-N","403948",NA,"PDBC32987","719714","Present"
-"Cambridge id 6984668","","","","","","","","","","","","","","","","","","","","Cambridge id 6984668","","COC1=CC=C(C=C1)C(=O)NCCC2=CCCCC2","ZGTNFZJYRNJFIV-UHFFFAOYSA-N","359385",NA,"PDBC32988","620194","Present"
-"Cambridge id 7301941","","","","","","","","","","","","","","","","","","","","Cambridge id 7301941","","C1=CC2C(C(C1O2)C(=O)NCC3=CC=NC=C3)C(=O)O","NJOCHFDYBDTNNY-UHFFFAOYSA-N","240655",NA,"PDBC32989","47083","Present"
-"Camoform hydrochloride","","","","","","","","","","","","","","","","","","","","bialamicol","","CCN(CC)CC1=CC(=CC(=C1O)CC=C)C2=CC(=C(C(=C2)CN(CC)CC)O)CC=C.Cl","CIOYANVFAIGJSS-UHFFFAOYSA-N","23616896",NA,"PDBC32990","6386","Present"
-"Camolar","","","","","","","","","","","","","","","","","","","","camolar","","CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O","FFUCUNIBSOIVIA-UHFFFAOYSA-N","11870",NA,"PDBC32991","77830","Present"
-"Camphor semicarbazone","","","","","","","","","","","","","","","","","","","","EN300-92939","","CC1(C2CCC1(C(=NNC(=O)N)C2)C)C","QCEFOIDJHJPYIB-MDWZMJQESA-N","9556170",NA,"PDBC32992","670174","Present"
-"Camphoric anhydride","","","","","","","","","","","","","","","","","","","","(1R)-Camphoric anhydride","","CC1(C2CCC1(C(=O)OC2=O)C)C","VFZDNKRDYPTSTP-UHFFFAOYSA-N","94834",NA,"PDBC32993","657821","Present"
-"Campothecin analog","","","","","","","","","","","","","","","","","","","","NSC606985","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN.Cl","DPGPIFODEPGGKB-UHFFFAOYSA-N","354677",NA,"PDBC32994","606985","Present"
-"Camptothecin glutamate HCl","","","","","","","","","","","","","","","","","","","","NSC610459","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)C(CCC(=O)O)N.Cl","SYASZMQNOJFHDU-HPXLZEMXSA-N","11969672",NA,"PDBC32995","610459","Present"
-"Camptothecin hemisuccinate sodium salt","","","","","","","","","","","","","","","","","","","","NSC610456","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CCC(=O)O.[Na+]","YRCRMPLVFWPTIU-JIDHJSLPSA-N","54598698",NA,"PDBC32996","610456","Present"
-"Camptothecin propylglycinate ester hydrochloride","","","","","","","","","","","","","","","","","","","","NSC606498","","CCCNCC(=O)OC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)CC.Cl","VYUPLCFEEDAYEN-UQIIZPHYSA-N","11969638",NA,"PDBC32997","606498","Present"
-"Camptothecin, 10-amino-","","","","","","","","","","","","","","","","","","","","10-aminocamptothecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O","MVUUMBZAHAKPKQ-UHFFFAOYSA-N","190763",NA,"PDBC32998","369395","Present"
-"Camptothecin, N-methylglycinate ester","","","","","","","","","","","","","","","","","","","","NSC606986","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CNC.Cl","BIBVWHFPHIJOTQ-UHFFFAOYSA-N","354679",NA,"PDBC32999","606986","Present"
-"Camptothecin,N-diethyl) glycinate","","","","","","","","","","","","","","","","","","","","NSC364830","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN(CC)CC.Cl","HGVXFMWXNAOLGL-SNYZSRNZSA-N","462186",NA,"PDBC33000","364830","Present"
-"Camptothecin-20-O-(N,N-dimethyl)glycinate HCl","","","","","","","","","","","","","","","","","","","","NSC618939","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN(C)C.Cl","AHCBDZJRJCTEHB-JIDHJSLPSA-N","11969742",NA,"PDBC33001","618939","Present"
-"Camptothecinethylglycinate esterhydrochloride","","","","","","","","","","","","","","","","","","","","NSC606497","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CNCC.Cl","TTXKNULRBZAHTC-JIDHJSLPSA-N","489614",NA,"PDBC33002","606497","Present"
-"Cancell","","","","","","","","","","","","","","","","","","","","Cancell","","","","",NA,"PDBC33003","637907","Present"
-"Candidine","","","","","","","","","","","","","","","","","","","","candidine","","C1=CC=C2C(=C1)C(=O)C(=C3C4=CC=CC=C4N5C3=NC6=CC=CC=C6C5=O)N2","DXENDDMPDZMHSQ-VXPUYCOJSA-N","5320815",NA,"PDBC33004","600586","Present"
-"Caparratriene","","","","","","","","","","","","","","","","","","","","Caparratriene","","CC=C(C)C=CCC(C)CCC=C(C)C","GIBJEWOSWWYJSK-CKGOAGCQSA-N","5459291",NA,"PDBC33005","687745","Present"
-"Capri Blue","","","","","","","","","","","","","","","","","","","","capri blue","","CC[N+](=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(C)C)C=C1C)CC.[Cl-]","QQOPAWAPLFHEEP-UHFFFAOYSA-M","102162",NA,"PDBC33006","7821","Present"
-"Capsicosin","","","","","","","","","","","","","","","","","","","","Capsicosin","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)C)OC1","RZWGPDBWOSUYCQ-ITAKGEODSA-N","401299",NA,"PDBC33007","714605","Present"
-"Caracemide","","","","","","","","","","","","","","","","","","","","CARACEMIDE","","CC(=O)N(C(=O)NC)OC(=O)NC","JURAJLFHWXNPHG-UHFFFAOYSA-N","54747",NA,"PDBC33008","253272","Present"
-"Carbacrone","","","","","","","","","","","","","","","","","","","","Carbacrone","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)O","NKZNDEYRBDVABF-UHFFFAOYSA-N","364455",NA,"PDBC33009","630716","Present"
-"Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester (9CI)","","","","","","","","","","","","","","","","","","","","carbamic acid, (1-methylethyl)-, [5-(3,4-dichlorophenyl)...","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC(=C(C=C3)Cl)Cl","CCBHSPUYWZHDFX-UHFFFAOYSA-N","100267",NA,"PDBC33010","278214","Present"
-"Carbamic acid, (1-methylethyl)-, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)ethyl ester","","","","","","","","","","","","","","","","","","","","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl N-propan-2-ylcarbamate","","CC(C)NC(=O)OCCN=C1C2=CC=CC=C2C=CC3=CC=CC=C31","IECGKWRLGJIQFF-UHFFFAOYSA-N","382519",NA,"PDBC33011","670128","Present"
-"Carbamic acid, (1-methylethyl)-, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]ethyl ester","","","","","","","","","","","","","","","","","","","","2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-propan-2-ylcarbamate","","CC(C)NC(=O)OCCN=C1C2=CC=CC=C2C(C(C3=CC=CC=C31)Br)Br","GEDQZXAQISYCPQ-UHFFFAOYSA-N","382522",NA,"PDBC33012","670131","Present"
-"Carbamic acid, (1-methylethyl)-, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]ethyl ester","","","","","","","","","","","","","","","","","","","","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl N-propan-2-ylcarbamate","","CC(C)NC(=O)OCCN=C1C2=CC=CC=C2CCC3=CC=CC=C31","RCIFFPDFCCUSJX-UHFFFAOYSA-N","382516",NA,"PDBC33013","670125","Present"
-"Carbamic acid, (2-piperazinylethyl)dithio-","","","","","","","","","","","","","","","","","","","","Carbamic acid, (2-piperazinylethyl)dithio-","","C1CN(CCN1)CCNC(=S)S","HDEIZYCKHOUEEH-UHFFFAOYSA-N","3032930",NA,"PDBC33014","42352","Present"
-"Carbamic acid, (5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, ethyl ester, (S)-","","","","","","","","","","","","","","","","","","","","Carbamic acid, [5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(...","","CCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","SMEGTTUCKYOLLP-INIZCTEOSA-N","44567",NA,"PDBC33015","249278","Present"
-"Carbamic acid, (5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, [5-amino-3-(2,4-dichlorophenyl)-1,2-dihyd...","","CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=C(C=C(C=C3)Cl)Cl)N","CPDQUPLLEBTHKX-UHFFFAOYSA-N","100668",NA,"PDBC33016","341931","Present"
-"Carbamic acid, (5-amino-3-phenyl-2H-pyrido(4,3-b)-1,4-oxazin-7-yl)-, ethyl ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, (5-amino-3-phenyl-2H-pyrido[4,3-b]-1,4-ox...","","CCOC(=O)NC1=NC(=C2C(=C1)OCC(=N2)C3=CC=CC=C3)N","QRMBOSPEQFQJFS-UHFFFAOYSA-N","100678",NA,"PDBC33017","344270","Present"
-"Carbamic acid, 1,4-butanediylbis[[3-[(phenylacetyl)amino]propyl]-, phenylmethyl phenylmethyl ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, 1,4-butanediylbis[[3-[(phenylacetyl)amino]propyl]-, phenylmethyl phenylmethyl ester","","C1=CC=C(C=C1)CC(=O)NCCCN(CCCCN(CCCNC(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","NFLSUCUXQVHATQ-UHFFFAOYSA-N","389629",NA,"PDBC33018","685974","Present"
-"Carbamic acid, 1H,3H,5H-oxazolo[3,4-c]oxazol-7a(7H)-yl ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, [(4-methylphenyl)sulfonyl]-, 1H,3H,5H-oxa...","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC23COCN2COC3","RLBULIYWGRDYSG-UHFFFAOYSA-N","330964",NA,"PDBC33019","320870","Present"
-"Carbamic acid, 4-cyclohexene-1,2-diylbis-, bis(1,1-dimethylethyl) ester","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[6-(tert-butoxycarbonylamino)cyclohex-3-en-1-yl]carbamate","","CC(C)(C)OC(=O)NC1CC=CCC1NC(=O)OC(C)(C)C","IBBVWOZAKKWMOG-UHFFFAOYSA-N","384583",NA,"PDBC33020","674596","Present"
-"Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)prop...","","CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CCl)NC(=O)OCC2=CC=CC=C2","UUJYJBKBCDBZBV-UHFFFAOYSA-N","299925",NA,"PDBC33021","173904","Present"
-"Carbamic acid, [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, (1-methylethyl)-, [5-(4-chlorophenyl)-2,3...","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=C(C=C3)Cl","LWBRTXHWARELLI-UHFFFAOYSA-N","337614",NA,"PDBC33022","356244","Present"
-"Carbamic acid, [[1-[2-[[2-[[2-[4-[2-[5-amino-4-(aminocarbonyl)-2-methyl-1H-imidazol-1-yl]ethyl]-1-piperazinyl]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]carbonyl]-, ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[2-[[2-[[2-[4-[2-(5-amino-4-carbamoyl-2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CC(=O)NCC(=O)NCC(=O)N2CCN(CC2)CCN3C(=NC(=C3N)C(=O)N)C","LCURSPYXRYAJBT-UHFFFAOYSA-N","362827",NA,"PDBC33023","627184","Present"
-"Carbamic acid, butyl-, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)ethyl ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, butyl-, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)ethyl ester","","CCCCNC(=O)OCCN=C1C2=CC=CC=C2C=CC3=CC=CC=C31","KSNRSZDXKRCVPJ-UHFFFAOYSA-N","382518",NA,"PDBC33024","670127","Present"
-"Carbamic acid, butyl-, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]ethyl ester","","","","","","","","","","","","","","","","","","","","2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-butylcarbamate","","CCCCNC(=O)OCCN=C1C2=CC=CC=C2C(C(C3=CC=CC=C31)Br)Br","BQJOURWTNCHPKQ-UHFFFAOYSA-N","382521",NA,"PDBC33025","670130","Present"
-"Carbamic acid, methylnitroso-2,5-dioxo-1-pyrrolidinyl ester","","","","","","","","","","","","","","","","","","","","ICIG 1732","","CN(C(=O)ON1C(=O)CCC1=O)N=O","HOLCTFBQQQICEX-UHFFFAOYSA-N","54560",NA,"PDBC33026","641079","Present"
-"Carbamic acid, thiol-, (6-quinolylcarbamoyl)methyl ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, thiol-, (6-quinolylcarbamoyl)methyl ester","","C1=CC2=C(C=CC(=C2)NC(=O)CSC(=O)N)N=C1","QHLDTZSGYPBOIJ-UHFFFAOYSA-N","235405",NA,"PDBC33027","36738","Present"
-"Carbamic acid,2-dihydro-3-(2-naphthalenyl)pyrido[3,4-b]pyrazin-7-yl]-, ethyl ester, monohydrochloride","","","","","","","","","","","","","","","","","","","","Carbamic acid, [5-amino-1,2-dihydro-3-(2-naphthalenyl)py...","","CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC4=CC=CC=C4C=C3)N.Cl","XYGCTNPYLFHJFY-UHFFFAOYSA-N","54599668",NA,"PDBC33028","347217","Present"
-"Carbamic acid,9-dichloro-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl)-, 1,1-dimethylethyl ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, (7,9-dichloro-2,8-dioxo-1-oxaspiro[4.5]de...","","CC(C)(C)OC(=O)NC1CC2(C=C(C(=O)C(=C2)Cl)Cl)OC1=O","CBYOCXODWUSVKK-VIFPVBQESA-N","371584",NA,"PDBC33029","645976","Present"
-"Carbamimidothioic acid, (4-oxo-2-phenyl-4H-1-benzopyran-8-yl)methyl ester, monohydrobromide","","","","","","","","","","","","","","","","","","","","Carbamimidothioic acid, (4-oxo-2-phenyl-4H-1-benzopyran-...","","C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)CSC(=N)N","GMHJYNAZNWGOAK-UHFFFAOYSA-N","431425",NA,"PDBC33030","293046","Present"
-"Carbamimidothioic acid, N'-(2-furanylcarbonyl)-N-phenyl-, methylene ester","","","","","","","","","","","","","","","","","","","","[N-(Furan-2-carbonyl)-N'-phenylcarbamimidoyl]sulfanylmethyl N-(furan-2-carbonyl)-N'-phenylcarbamimidothioate","","C1=CC=C(C=C1)N=C(NC(=O)C2=CC=CO2)SCSC(=NC3=CC=CC=C3)NC(=O)C4=CC=CO4","JELMGUXVCOPGJD-UHFFFAOYSA-N","135503446",NA,"PDBC33031","633181","Present"
-"Carbamimidothioic acid, N'-benzoyl-N-phenyl-, 1,2-ethanediyl ester","","","","","","","","","","","","","","","","","","","","Carbamimidothioic acid, N'-benzoyl-N-phenyl-, 1,2-ethanediyl ester","","C1=CC=C(C=C1)C(=O)NC(=NC2=CC=CC=C2)SCCSC(=NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4","LWYAIWFLGDALAP-UHFFFAOYSA-N","135412385",NA,"PDBC33032","633180","Present"
-"Carbamimidothioic acid, N-phenyl-N'-(2-thienylcarbonyl)-, 1,2-ethanediyl ester","","","","","","","","","","","","","","","","","","","","2-[N'-Phenyl-N-(thiophene-2-carbonyl)carbamimidoyl]sulfanylethyl N'-phenyl-N-(thiophene-2-carbonyl)carbamimidothioate","","C1=CC=C(C=C1)N=C(NC(=O)C2=CC=CS2)SCCSC(=NC3=CC=CC=C3)NC(=O)C4=CC=CS4","KBBGONUFUDTDLC-UHFFFAOYSA-N","135415723",NA,"PDBC33033","633182","Present"
-"Carbamimidothioic acid,2,4-oxadiazol-5-yl]methyl ester, monohydrochloride","","","","","","","","","","","","","","","","","","","","Carbamimidothioic acid, [3-(4-chlorophenyl)-1,2,4-oxadia...","","C1=CC(=CC=C1C2=NOC(=N2)CSC(=N)N)Cl.Cl","FQOWGRDYETTXQY-UHFFFAOYSA-N","16667440",NA,"PDBC33034","310342","Present"
-"Carbamimidothioic acid,N-dimethyl-N'-[(phenylimino) (methylthio)methyl]-, phenylmethyl ester, hydroiodide","","","","","","","","","","","","","","","","","","","","Carbamimidothioic acid, N,N-dimethyl-N'-[(phenylimino) (...","","CN(C)C(=NC(=NC1=CC=CC=C1)SC)SCC2=CC=CC=C2.I","GLYBAERSCQCHDX-IOVNUJLDSA-N","9569856",NA,"PDBC33035","622579","Present"
-"Carbamodithioic acid, (3,4-difluorophenyl)-, 1,3-benzodioxol-5-ylmethyl ester","","","","","","","","","","","","","","","","","","","","Carbamodithioic acid, (3,4-difluorophenyl)-, 1,3-benzodi...","","C1OC2=C(O1)C=C(C=C2)CSC(=S)NC3=CC(=C(C=C3)F)F","WLWHSXMMMWAQIS-UHFFFAOYSA-N","3949653",NA,"PDBC33036","268918","Present"
-"Carbamodithioic acid, diester with 1,4-piperazinediylbis(2-methyl-5-nitro-4-pyrimidinyl-6-thiol)","","","","","","","","","","","","","","","","","","","","Carbamodithioic acid, dipropyl-, diester with 1,4-pipera...","","CCCN(CCC)C(=S)SC1=NC(=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=C(C(=NC(=N3)C)SC(=S)N(CCC)CCC)[N+](=O)[O-])C","SSPQQHSNNOMMED-UHFFFAOYSA-N","384902",NA,"PDBC33037","675593","Present"
-"Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester","","","","","","","","","","","","","","","","","","","","Usaf Sn-31","","CN(C)C(=S)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","AIWZJEMZVHJAQB-UHFFFAOYSA-N","6967",NA,"PDBC33038","11461","Present"
-"Carbamothioic acid, (4-chloro-3-((2-methyl-2-propenyl)oxy)phenyl)-, O-(1-methylethyl) ester","","","","","","","","","","","","","","","","","","","","Carbamothioic acid, [4-chloro-3-(2-methyl-2-propenyloxy)...","","CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OCC(=C)C","LOMVTCOKAXFOMA-UHFFFAOYSA-N","3001554",NA,"PDBC33039","650059","Present"
-"Carbamothioic acid, 1-methylethyl ester, (E,Z mixture)","","","","","","","","","","","","","","","","","","","","Carbamothioic acid, [4-chloro-3-(2-butenyloxy)phenyl]-, ...","","CC=CCOC1=C(C=CC(=C1)NC(=S)OC(C)C)Cl.CC=CCOC1=C(C=CC(=C1)NC(=S)OC(C)C)Cl","CUADSUNBLWURTR-RIPGEZAJSA-N","5466896",NA,"PDBC33040","645115","Present"
-"Carbamothioic acid, 2-propenyl-, O-decyl ester","","","","","","","","","","","","","","","","","","","","O-decyl N-allylcarbamothioate","","CCCCCCCCCCOC(=S)NCC=C","STIGPEOTGZPQSP-UHFFFAOYSA-N","3002079",NA,"PDBC33041","627366","Present"
-"Carbamothioic acid, S-[2-(2,6-dichlorophenyl)-1-oxo-1H-inden-3-yl] ester","","","","","","","","","","","","","","","","","","","","Carbamothioic acid, dimethyl-, S-[2-(2,6-dichlorophenyl)...","","CN(C)C(=O)SC1=C(C(=O)C2=CC=CC=C21)C3=C(C=CC=C3Cl)Cl","SQEJLJCVAKTETI-UHFFFAOYSA-N","333069",NA,"PDBC33042","332837","Present"
-"Carbamothioic acid, methyl-, S-decyl ester","","","","","","","","","","","","","","","","","","","","Carbamothioic acid, methyl-, S-decyl ester","","CCCCCCCCCCSC(=O)NC","IRBDYFXHROCYNN-UHFFFAOYSA-N","362880",NA,"PDBC33043","627352","Present"
-"Carbanide;1,3-diphenylpropane-1,3-dione;tin(4+)","","","","","","","","","","","","","","","","","","","","NSC644919","","[CH3-].[CH3-].[CH3-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Sn+4]","AJFFVEOMHMDHTP-UHFFFAOYSA-N","371033",NA,"PDBC33044","644919","Present"
-"Carbanide;palladium;1,10-phenanthroline","","","","","","","","","","","","","","","","","","","","Carbanide;palladium;1,10-phenanthroline","","","","",NA,"PDBC33045","676735","Present"
-"Carbanilide, 4,4''-oxybis[2'-chloro-","","","","","","","","","","","","","","","","","","","","Carbanilide, 4,4''-oxybis[2'-chloro-","","C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)Cl","YIOOFDZGTGOZSB-UHFFFAOYSA-N","255326",NA,"PDBC33046","80731","Present"
-"Carbanilide, 4,4''-oxybis[4'-cyano-","","","","","","","","","","","","","","","","","","","","Carbanilide, 4,4''-oxybis[4'-cyano-","","C1=CC(=CC=C1C#N)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N","NKTXGJQCHFJKQJ-UHFFFAOYSA-N","255329",NA,"PDBC33047","80734","Present"
-"Carbanilide, 4,4''-oxybis[4'-nitro","","","","","","","","","","","","","","","","","","","","Carbanilide, 4,4''-oxybis[4'-nitro","","C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","GXCFQNUEHPMLFI-UHFFFAOYSA-N","255330",NA,"PDBC33048","80735","Present"
-"Carbanilide, N-benzylthio-","","","","","","","","","","","","","","","","","","","","Carbanilide, N-benzylthio- (8CI)","","C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=S)NC3=CC=CC=C3","ZDBPEGOAAIRGTO-UHFFFAOYSA-N","3933957",NA,"PDBC33049","131977","Present"
-"Carbazic acid, 3-(2,4,6-trichlorophenyl)-, isopropyl ester","","","","","","","","","","","","","","","","","","","","Carbazic acid, 3-(2,4,6-trichlorophenyl)-, isopropyl ester","","CC(C)OC(=O)NNC1=C(C=C(C=C1Cl)Cl)Cl","DNUJAWBFJBUZSY-UHFFFAOYSA-N","348947",NA,"PDBC33050","408470","Present"
-"Carbendazim","","","","","","","","","","","","","","","","","","","","Benzimate","","COC(=O)NC1=NC2=CC=CC=C2N1","TWFZGCMQGLPBSX-UHFFFAOYSA-N","25429",NA,"PDBC33051","109874","Present"
-"Carbenoxolone disodium salt","","","","","","","","","","","","","","","","","","","","Carbenoxolone disodium salt","","CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)[O-])C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C","OBZHEBDUNPOCJG-WBXJDKIVSA-L","24776149",NA,"PDBC33052","800529","Present"
-"Carbethoxy propionyldithranol","","","","","","","","","","","","","","","","","","","","Carbethoxy propionyldithranol","","CCOC(=O)CCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O","NPVYNFQZZZKDEI-UHFFFAOYSA-N","365584",NA,"PDBC33053","633383","Present"
-"Carbohydrazide, dihydrochloride","","","","","","","","","","","","","","","","","","","","Carbohydrazide, 1-(2-pyridylmethylene)-3-thio-, dihydroc...","","C1=CC=NC(=C1)C=NNC(=S)NN.Cl","LIBMQPGFLGOTSF-OAZHBLANSA-N","54610180",NA,"PDBC33054","146377","Present"
-"Carboline","","","","","","","","","","","","","","","","","","","","Carboline","","COC(=O)C1CC2=C(C(N1)C3=CC(=CC=C3)O)NC4=CC=CC=C24","OVGJDGSIHKLNQM-UHFFFAOYSA-N","402922",NA,"PDBC33055","717308","Present"
-"Carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate","","","","","","","","","","","","","","","","","","","","Carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate","","","","",NA,"PDBC33056","649306","Present"
-"Carbon monoxide; cyclopentane; 1-ethoxy-3a-methyl-azulen-4-one; iron","","","","","","","","","","","","","","","","","","","","Carbon monoxide; cyclopentane; 1-ethoxy-3a-methyl-azulen-4-one; iron","","","","",NA,"PDBC33057","649307","Present"
-"Carbon monoxide; cyclopentane; iron; 1-methylazulene; oxoniumylidynemethyliron; hexafluorophosphate","","","","","","","","","","","","","","","","","","","","Carbon monoxide; cyclopentane; iron; 1-methylazulene; oxoniumylidynemethyliron; hexafluorophosphate","","","","",NA,"PDBC33058","649305","Present"
-"Carbon monoxide;[difluorophosphaniumyl(methyl)amino]-difluorophosphanium;iron;methanone","","","","","","","","","","","","","","","","","","","","NSC294858","","CN([PH+](F)F)[PH+](F)F.CN([PH+](F)F)[PH+](F)F.[CH-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]","FRZQLSVLGWTWCT-UHFFFAOYSA-R","54598766",NA,"PDBC33059","294858","Present"
-"Carbon monoxide;chromium;1-nitro-4-(2-phenylethenyl)benzene","","","","","","","","","","","","","","","","","","","","NSC673824","","[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-].[Cr]","SRLQAACFXCMWLK-UHFFFAOYSA-N","54608680",NA,"PDBC33060","673824","Present"
-"Carbon monoxide;chromium;2,3,4,5-tetrahydropyran","","","","","","","","","","","","","","","","","","","","Carbon monoxide;chromium;2,3,4,5-tetrahydropyran","","","","",NA,"PDBC33061","648860","Present"
-"Carbon monoxide;chromium;4-(trifluoromethyl)benzaldehyde","","","","","","","","","","","","","","","","","","","","NSC673822","","[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC(=CC=C1C=O)C(F)(F)F.[Cr]","FBCIHEZBWHIDJI-UHFFFAOYSA-N","54608679",NA,"PDBC33062","673822","Present"
-"Carbon monoxide;chromium;ethoxymethylbenzene","","","","","","","","","","","","","","","","","","","","Carbon monoxide;chromium;ethoxymethylbenzene","","","","",NA,"PDBC33063","648858","Present"
-"Carbon monoxide;ethoxymethylbenzene;tungsten","","","","","","","","","","","","","","","","","","","","Carbon monoxide;ethoxymethylbenzene;tungsten","","","","",NA,"PDBC33064","648859","Present"
-"Carbonic acid, 1-methyl-1-(1-methyl-2-nitro-1H-imidazol-5-yl)ethyl phenyl ester","","","","","","","","","","","","","","","","","","","","carbonic acid, 1-methyl-1-(1-methyl-2-nitro-1h-imidazol-...","","CC(C)(C1=CN=C(N1C)[N+](=O)[O-])OC(=O)OC2=CC=CC=C2","KUOKVKLNRUSHGT-UHFFFAOYSA-N","100531",NA,"PDBC33065","315575","Present"
-"Carbonic acid, 1-methyl-4-phenyl-4-piperidyl phenyl ester","","","","","","","","","","","","","","","","","","","","LS-52088","","CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)OC3=CC=CC=C3","JAWVTCCRYNKTAD-UHFFFAOYSA-N","58324",NA,"PDBC33066","665332","Present"
-"Carbonic acid, ethyl 1-methyl-4-phenyl-4-piperidyl ester","","","","","","","","","","","","","","","","","","","","LS-52046","","CCOC(=O)OC1(CCN(CC1)C)C2=CC=CC=C2","JWKBEONLEADIMJ-UHFFFAOYSA-N","58320",NA,"PDBC33067","665331","Present"
-"Carbonic dihydrazide, bis[(2,3-dihydroxyphenyl)methylene]-","","","","","","","","","","","","","","","","","","","","Carbonic dihydrazide, bis[(2,3-dihydroxyphenyl)methylene]-","","C1=CC(=C(C(=C1)O)O)C=NNC(=O)NN=CC2=C(C(=CC=C2)O)O","YFXPZEDNDVXKBH-GDWCLCACSA-N","135429886",NA,"PDBC33068","294126","Present"
-"Carbonic dihydrazide,5-dibromo-2-hydroxyphenyl)methylene]-","","","","","","","","","","","","","","","","","","","","Carbonic dihydrazide, bis[(3,5-dibromo-2-hydroxyphenyl)m...","","C1=C(C=C(C(=C1C=NNC(=O)NN=CC2=C(C(=CC(=C2)Br)Br)O)O)Br)Br","DMJYGRCLCIVOBV-BDCNUIQJSA-N","135452432",NA,"PDBC33069","201628","Present"
-"Carbonimidodithioic acid,3,4-thiadiazol-2-yl]-, dimethyl ester","","","","","","","","","","","","","","","","","","","","Carbonimidodithioic acid, [5-(4-nitrophenyl)-1,3,4- thia...","","CSC(=NC1=NN=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])SC","KTVGLBHWWUQRIR-UHFFFAOYSA-N","359462",NA,"PDBC33070","620327","Present"
-"Carbonodithioimidic acid, (2-chlorobenzoyl)-, 1,2-ethanediyl methyl methyl ester","","","","","","","","","","","","","","","","","","","","Carbonodithioimidic acid, (2-chlorobenzoyl)-, 1,2-ethanediyl methyl methyl ester","","CSC(=NC(=O)C1=CC=CC=C1Cl)SCCSC(=NC(=O)C2=CC=CC=C2Cl)SC","HZAJOMRQIIYYTE-UHFFFAOYSA-N","365498",NA,"PDBC33071","633178","Present"
-"Carbonodithioimidic acid, benzoyl-, 1,2-ethanediyl methyl methyl ester","","","","","","","","","","","","","","","","","","","","Carbonodithioimidic acid, benzoyl-, 1,2-ethanediyl methyl methyl ester","","CSC(=NC(=O)C1=CC=CC=C1)SCCSC(=NC(=O)C2=CC=CC=C2)SC","JIGNBDBBGJSZTO-UHFFFAOYSA-N","365499",NA,"PDBC33072","633179","Present"
-"Carbonotrithioic acid,3,5,6-tetrachloro-4-pyridinyl-, 1-methylethyl ester","","","","","","","","","","","","","","","","","","","","Carbonotrithioic acid, 2,3,5,6-tetrachloro-4-pyridinyl-,...","","CC(C)SC(=S)SC1=C(C(=NC(=C1Cl)Cl)Cl)Cl","HNSSCORUAIQCTQ-UHFFFAOYSA-N","399833",NA,"PDBC33073","710969","Present"
-"Carboquone","","","","","","","","","","","","","","","","","","","","Carboqone; Carbazilquinone","","CC1=C(C(=O)C(=C(C1=O)N2CC2)C(COC(=O)N)OC)N3CC3","SHHKQEUPHAENFK-UHFFFAOYSA-N","2569",NA,"PDBC33074","134679","Present"
-"Carboxymethyl ethylxanthate","","","","","","","","","","","","","","","","","","","","carboxymethyl ethylxanthate","","CCOC(=S)SCC(=O)O","CZLONQRTHUAGMG-UHFFFAOYSA-N","33055",NA,"PDBC33075","85743","Present"
-"Carboxyphthalato platinum","","","","","","","","","","","","","","","","","","","","Carboxyphthalatoplatinum///Carboxyphthalato platinum","","C1CCC(C(C1)[NH-])[NH-].C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.[Pt+2]","IDNIKXCEUZXOCR-UHFFFAOYSA-N","6419850",NA,"PDBC33076","271674///357092","Present"
-"Cardenolide 2","","","","","","","","","","","","","","","","","","","","Cardenolide 2","","CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4C=CC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O","YRCCUUYOXFAUMW-NYCXNGLCSA-N","388098",NA,"PDBC33077","682561","Present"
-"Cardiac glycoside","","","","","","","","","","","","","","","","","","","","Cardiac glycoside","","","","",NA,"PDBC33078","116878","Present"
-"Cardiodine","","","","","","","","","","","","","","","","","","","","Cardiodine","","CC(C)C(=O)OC1C(=C)C2(CC3C14CC5(C6C7(CCCC6(C4C2O)C3N5C7)C)O)O","XSDJVVZNKHIOBC-RVPDCARASA-N","54611290",NA,"PDBC33079","679831","Present"
-"Cardiopetaline","","","","","","","","","","","","","","","","","","","","Cardiopetaline","","CCN1CC2(CCC(C34C2CC(C31)C5(CCC6CC4C5C6O)O)O)C","RQWUCKAGEHUROY-XKPOVMHPSA-N","5459237",NA,"PDBC33080","656730","Present"
-"Carfenazine maleate","","","","","","","","","","","","","","","","","","","","Carphenazine Maleate","","CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO.C(=CC(=O)O)C(=O)O","ZQYMISSXVDTVFZ-BTJKTKAUSA-N","20838085",NA,"PDBC33081","71755","Present"
-"Carfilzomib (PR-171) (combination with valproic acid)","","","","","","","","","","","","","","","","","","Carfilzomib (PR-171) (combination with valproic acid)","carfilzomib","","","","","",NA,"PDBC33082","","Absent"
-"Caricotamide","","","","","","","","","","","","","","","","","","","","Caricotamide","","C1C=CN(C=C1C(=O)N)CC(=O)N","WEJRSYKFMCUCRQ-UHFFFAOYSA-N","403128",NA,"PDBC33083","717765","Present"
-"Carinamide","","","","","","","","","","","","","","","","","","","","staticin","","C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)C(=O)O","ZOFLWJXPXAHZLI-UHFFFAOYSA-N","10825",NA,"PDBC33084","18778","Present"
-"Carindapen","","","","","","","","","","","","","","","","","","","","Carbenicillin Disodium","","CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C.[Na+]","CNLSIVKXSBRGQP-UHFFFAOYSA-N","18406186",NA,"PDBC33085","111071","Present"
-"Carmethizole hydrochloride","","","","","","","","","","","","","","","","","","","","1H-Imidazole-4,5-dimethanol, 1-methyl-2-(methylthio)-, b...","","CNC(=O)OCC1=C(N(C(=N1)SC)C)COC(=O)NC.Cl","ZUIGQZNTMIGKHP-UHFFFAOYSA-N","198720",NA,"PDBC33086","602668","Present"
-"Carmoisine L","","","","","","","","","","","","","","","","","","","","fast red vr","","C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)O.[Na+]","IAGRWWJQLXMIOZ-UHFFFAOYSA-N","135422058",NA,"PDBC33087","47716","Present"
-"Carnocin CP 5","","","","","","","","","","","","","","","","","","","","Carnocin CP 5","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4","QGGNFPVBCAGWRP-UHFFFAOYSA-N","389574",NA,"PDBC33088","685881","Present"
-"Carnosic acid","","","","","","","","","","","","","","","","","","","","Carnosic acid","","CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O","QRYRORQUOLYVBU-VBKZILBWSA-N","65126",NA,"PDBC33089","694080","Present"
-"Carnosic acid 12-methyl ether-gamma-lactone","","","","","","","","","","","","","","","","","","","","Carnosic acid 12-methyl ether-.gamma.-lactone","","CC(C)C1=C(C2=C3C(=C1)CCC4C3(CCCC4(C)C)C(=O)O2)OC","SRVNMMQHMRWDTR-MZVUKIKXSA-N","375087",NA,"PDBC33090","654100","Present"
-"Carnosol O-quinone","","","","","","","","","","","","","","","","","","","","Carnosol o-quinone","","CC(C)C1=CC2=C(C(=O)C1=O)C34CCCC(C3CC2OC4=O)(C)C","MWAYCDXOVYWQPR-UHFFFAOYSA-N","323275",NA,"PDBC33091","282173","Present"
-"Carquniostatin B","","","","","","","","","","","","","","","","","","","","Carquniostatin B","","CC1=C(C2=C(C3=C(N2)C=CC(=C3)CC=C(C)C)C(=O)C1=O)C(C(C)O)O","YUNXXJUUIKKYDM-UHFFFAOYSA-N","380452",NA,"PDBC33092","666034","Present"
-"Cartilagineol","","","","","","","","","","","","","","","","","","","","Cartilagineol","","CC1(C(C(CC(=C)C12CCC(C(C2)Br)(C)Cl)O)Br)C","KKDUTGUFMQDATD-LJURCNODSA-N","396684",NA,"PDBC33093","703202","Present"
-"Carvone","","","","","","","","","","","","","","","","","","","","carvol","","CC1=CCC(CC1=O)C(=C)C","ULDHMXUKGWMISQ-UHFFFAOYSA-N","7439",NA,"PDBC33094","6275","Present"
-"Caryolane-1,9beta-diol","","","","","","","","","","","","","","","","","","","","Caryolane-1,9.beta.-diol","","CC1(CC2C1CCC3(CC2(CCC3O)O)C)C","SFJOMLIUSIKKRA-BIBFLFFFSA-N","382536",NA,"PDBC33095","670146","Present"
-"Caryolane-1-ol-9-one","","","","","","","","","","","","","","","","","","","","Caryolane-1-ol-9-one","","CC1(CC2C1CCC3(CC2(CCC3=O)O)C)C","IENXBWLABXSOLK-HYMRGOADSA-N","382537",NA,"PDBC33096","670147","Present"
-"Carzelesin","","","","","","","","","","","","","","","","","","","","Carzelesin","","CCN(CC)C1=CC2=C(C=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5CC(C6=C7C(=CNC7=C(C=C65)OC(=O)NC8=CC=CC=C8)C)CCl","BBZDXMBRAFTCAA-UHFFFAOYSA-N","358898",NA,"PDBC33097","619029","Present"
-"Carzenide","","","","","","","","","","","","","","","","","","","","dirnate","","C1=CC(=CC=C1C(=O)O)S(=O)(=O)N","UCAGLBKTLXCODC-UHFFFAOYSA-N","8739",NA,"PDBC33098","22976","Present"
-"CaserinJ","","","","","","","","","","","","","","","","","","","","CaserinJ","","CCCC(=O)OC1C(C(C2CC(C=C3C2(C1O)C(OC3OC(=O)CCC)OC(=O)C)OC)(C)CC=C(C)C=C)C","SBQNYWSGQZHIRT-YRPGVFIESA-N","15071260",NA,"PDBC33099","785588","Present"
-"Cassaine, sulfate","","","","","","","","","","","","","","","","","","","","cassaine","","CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)O)C.OS(=O)(=O)O","IVYNQROYSGOIQF-FSBQAMRBSA-N","54603654",NA,"PDBC33100","72302","Present"
-"Casuarine","","","","","","","","","","","","","","","","","","","","Casuarine","","C1C(C(C2N1C(C(C2O)O)O)O)O","DMJPCXQMRXENTO-ISRSUCOTSA-N","384347",NA,"PDBC33101","674050","Present"
-"Casuarine-6-alpha-glucoside","","","","","","","","","","","","","","","","","","","","Casuarine-6-.alpha.-glucoside","","C1C(C(C2N1C(C(C2O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O","WSBUKJDMDSTRNO-MFFQQJCYSA-N","384348",NA,"PDBC33102","674051","Present"
-"Catharanthine hcl","","","","","","","","","","","","","","","","","","","","catharanthine hcl","","CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC","CMKFQVZJOWHHDV-UHFFFAOYSA-N","418553",NA,"PDBC33103","102004","Present"
-"Caulerpenyne from the brown alga Cystoseira algeriensis","","","","","","","","","","","","","","","","","","","","Caulerpenyne  from the brown alga Cystoseira algeriensis","","CC(=CC#CC(=CCC(C(=COC(=O)C)C=COC(=O)C)OC(=O)C)C)C","INZBEAIXTUMDIW-MYHQMOGVSA-N","11314817",NA,"PDBC33104","605986","Present"
-"Caulerpin","","","","","","","","","","","","","","","","","","","","caulerpin","","COC(=O)C1=CC2=C(C(=CC3=C1NC4=CC=CC=C43)C(=O)OC)NC5=CC=CC=C52","PVWALMHWUOWPPA-RPLHEXBESA-N","5326018",NA,"PDBC33105","719624","Present"
-"Caulophylline","","","","","","","","","","","","","","","","","","","","CYTISINE, 3-METHYL-","","CN1CC2CC(C1)C3=CC=CC(=O)N3C2","CULUKMPMGVXCEI-UHFFFAOYSA-N","234566",NA,"PDBC33106","34656","Present"
-"Cayaponoside A","","","","","","","","","","","","","","","","","","","","Cayaponoside A","","CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(=O)CCC(C)(C)OC(=O)C)O)O)C","QZFOQGMIOQEBCV-SNJGVXGYSA-N","386941",NA,"PDBC33107","680103","Present"
-"Cayaponoside A1","","","","","","","","","","","","","","","","","","","","Cayaponoside A1","","CC1=C(C(=O)CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)CCC(C)(C)OC(=O)C)O)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O","UVEXLTMACAFYPX-TZSFBENTSA-N","386942",NA,"PDBC33108","680104","Present"
-"Cayaponoside A3","","","","","","","","","","","","","","","","","","","","Cayaponoside A3","","CCCCOC(C)(C)C=CC(C(C)(C1C(CC2(C1(CC(=O)C3(C2CCC4=C(C(=C(C=C43)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)C)C)O)O)O","LCXFFITUZZAMLZ-KTIIOQCWSA-N","5468956",NA,"PDBC33109","680105","Present"
-"Cayaponoside A4","","","","","","","","","","","","","","","","","","","","Cayaponoside A4","","CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C6CCC(O6)(C)C)O)O)C","HMXNIPSOVOGTHL-GFJICDGUSA-N","386944",NA,"PDBC33110","680106","Present"
-"Cayaponoside A6","","","","","","","","","","","","","","","","","","","","Cayaponoside A6","","CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(=O)CCC(=C)C)O)O)C","XHKWOUAMLFAYJL-VYYJYFBUSA-N","386945",NA,"PDBC33111","680107","Present"
-"Cayaponoside B","","","","","","","","","","","","","","","","","","","","Cayaponoside B","","CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(C=CC(=C)C)O)O)O)C","LGFDUXHZEFIFMU-BDZDJTEESA-N","5468957",NA,"PDBC33112","680108","Present"
-"Cayaponoside B2","","","","","","","","","","","","","","","","","","","","Cayaponoside B2","","CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(CCC(=C)C)O)O)O)C","VILWEPWHNCHBKN-IWTOQHGASA-N","386947",NA,"PDBC33113","680109","Present"
-"Cayaponoside B3","","","","","","","","","","","","","","","","","","","","Cayaponoside B3","","CC(=CCC(C(C)(C1C(CC2(C1(CC(=O)C3(C2CCC4=CC(=C(C=C43)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)C)O)O)O)C","AEIXRUJEKNYFHG-IFDDHIJESA-N","386948",NA,"PDBC33114","680110","Present"
-"Cayaponoside C","","","","","","","","","","","","","","","","","","","","Cayaponoside C","","CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(=O)CCC(C)(C)O)O)O)C","AVEPNSKXSPQHQF-FKPJQOOCSA-N","386949",NA,"PDBC33115","680111","Present"
-"Cayaponoside C2","","","","","","","","","","","","","","","","","","","","Cayaponoside C2","","CC(=O)C1C(CC2(C1(CC(=O)C3(C2CCC4=CC(=C(C=C43)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)C)O","JUEKALZXGNEJDZ-NFEZKSQMSA-N","386950",NA,"PDBC33116","680112","Present"
-"Cayaponoside C3","","","","","","","","","","","","","","","","","","","","Cayaponoside C3","","CC1=C(C(=O)CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)CCC(C)(C)O)O)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O","NXYSZRQPQJJVEA-NUCYJBGASA-N","386951",NA,"PDBC33117","680113","Present"
-"Cayaponoside C5b","","","","","","","","","","","","","","","","","","","","Cayaponoside C5b","","CC1=C2C=CC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(=O)CCC(C)(C)O)O)O)C","JARDNXVRGXYQOK-FKPJQOOCSA-N","386952",NA,"PDBC33118","680114","Present"
-"Cayaponoside D","","","","","","","","","","","","","","","","","","","","Cayaponoside D","","CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(C=CC(C)(C)O)O)O)O)C","MATZMSBOEUIXMX-APRSVNSBSA-N","5468958",NA,"PDBC33119","680115","Present"
-"Cayaponoside D1","","","","","","","","","","","","","","","","","","","","Cayaponoside D1","","CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(CCC(C)(C)O)O)O)O)C","MRIBADDLUARZPZ-GGGDTYONSA-N","386954",NA,"PDBC33120","680116","Present"
-"Cayaponoside D2","","","","","","","","","","","","","","","","","","","","Cayaponoside D2","","CC1=C2C=CC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(C=CC(C)(C)O)O)O)O)C","QQSPBRWQTFVPRX-APRSVNSBSA-N","5468959",NA,"PDBC33121","680117","Present"
-"Cbp-IN-1","","","","","","","","","","","","","","","","","","","","CCS-1477","","CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)C4CCCC(=O)N4C5=CC(=C(C=C5)F)F)C6CCC(CC6)OC","SKDNDJWEBPQKCS-RIQBOWGZSA-N","134457551",NA,"PDBC33122","818619","Present"
-"Cbz-[Lys3]-Didemnin B","","","","","","","","","","","","","","","","","","","","Cbz-[Lys3]-Didemnin B","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC4=CC=C(C=C4)OC)C)CCCCNC(=O)OCC5=CC=CC=C5)C)C(C)C)O","LLDILYQOTFCUPG-UUVWMACASA-N","398464",NA,"PDBC33123","708240","Present"
-"Cc-115","","","","","","","","","","","","","","","","","","","","CC-115","","CCN1C(=O)CNC2=NC=C(N=C21)C3=C(N=C(C=C3)C4=NC=NN4)C","GMYLVKUGJMYTFB-UHFFFAOYSA-N","58298318",NA,"PDBC33124","793151","Present"
-"Cc-223","","","","","","","","","","","","","","","","","","","","NSC792971///NSC800982","","CC(C)(C1=NC=C(C=C1)C2=CN=C3C(=N2)N(C(=O)CN3)C4CCC(CC4)OC)O","UFKLYTOEMRFKAD-UHFFFAOYSA-N","58298316",NA,"PDBC33125","792971///800982","Present"
-"Cdk1 inhibitor","","","","","","","","","","","","","","","","","","","","Cdk1 inhibitor","","C1=CC=C2C(=C1)C(=CC3=C(NC4=CC=CC=C43)Cl)C(=O)N2","QJKBRWSJWQVKLY-UKTHLTGXSA-N","5472558",NA,"PDBC33126","720148","Present"
-"Cdri 85-287","","","","","","","","","","","","","","","","","","","","Cdri 85-287","","C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(=CC4=CC=CC=C4O3)C5=CC=CC=C5","DBHGMZQRJDUFGS-UHFFFAOYSA-N","159508",NA,"PDBC33127","607873","Present"
-"Cedilanid","","","","","","","","","","","","","","","","","","","","Allocor","","CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O","JAYAGJDXJIDEKI-UHFFFAOYSA-N","3879",NA,"PDBC33128","7533","Present"
-"Cedrela odorata Substance B","","","","","","","","","","","","","","","","","","","","Cedrela odorata Substance B","","CC1(C(C2(C3CCC4(C(OC(=O)CC4=C3CC(C1=O)C2=O)C5=COC=C5)C)C)CC(=O)OC)C","DNFJSIPZGYBGON-UHFFFAOYSA-N","267328",NA,"PDBC33129","118341","Present"
-"Cedrol","","","","","","","","","","","","","","","","","","","","cedrol","","CC1CCC2C13CCC(C(C3)C2(C)C)(C)O","SVURIXNDRWRAFU-OGMFBOKVSA-N","65575",NA,"PDBC33130","403883","Present"
-"Cedronine","","","","","","","","","","","","","","","","","","","","Cedronine","","CC1=CC(=O)C(C2(C1CC(C34C2C(C5C(C3C(=O)O5)(OC4)C)O)O)C)O","FNBJCARFLWAAPK-UHFFFAOYSA-N","183337",NA,"PDBC33131","267707","Present"
-"Cefaloject","","","","","","","","","","","","","","","","","","","","Cephapirin sodium","","CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.[Na+]","VGEOUKPOQQEQSX-UHFFFAOYSA-N","18469536",NA,"PDBC33132","179171","Present"
-"Celestine blue","","","","","","","","","","","","","","","","","","","","celestin blue","","CCN(CC)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)[NH3+].[Cl-]","REPMZEQSQQAHJR-UHFFFAOYSA-N","135403650",NA,"PDBC33133","7823","Present"
-"Celestone Soluspan","","","","","","","","","","","","","","","","","","","","Betamethasone Sodium Phosphate","","CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C.[Na+]","MQRFYYBWKRACSJ-UHFFFAOYSA-N","18471829",NA,"PDBC33134","90616","Present"
-"Cenisertib","","","","","","","","","","","","","","","","","","","","AS-703569","","CC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3C4CC(C3C(=O)N)C=C4)F)N5CCN(CC5)C","KSOVGRCOLZZTPF-QMKUDKLTSA-N","11569967",NA,"PDBC33135","763930","Present"
-"Centaureidin","","","","","","","","","","","","","","","","","","","","Centaureidin","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O","BZXULYMZYPRZOG-UHFFFAOYSA-N","5315773",NA,"PDBC33136","106969","Present"
-"Centipedic acid","","","","","","","","","","","","","","","","","","","","Centipedic acid","","CC(=CCCC(=CCCC(=CCCC1=COC=C1)C)C(=O)O)C","UKHQJOTZHQQZBX-BAOHTXIFSA-N","5466638",NA,"PDBC33137","640324","Present"
-"Cep-28122 (alk)","","","","","","","","","","","","","","","","","","","","CEP-28122","","COC1=C(C=CC2=C1CCC(CC2)N3CCOCC3)NC4=NC=C(C(=N4)NC5C6CC(C5C(=O)N)C=C6)Cl","LAJAFFLJAJMYLK-SUEGLBJXSA-N","155805693",NA,"PDBC33138","779218","Present"
-"Cephaeline hydrochloride","","","","","","","","","","","","","","","","","","","","cephaeline dihydrochloride","","CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.Cl","NWYUGUJIBCMDEB-QJAXAJGISA-N","23616886",NA,"PDBC33139","32944","Present"
-"Cephalostatin 5","","","","","","","","","","","","","","","","","","","","NSC378731","","CC1C2CC(C3=C4CCC5CC6=C(CC5(C4=CC(=C23)OC17C(C(C(O7)(C)C)C)O)C)N=C8CC9CCC1C(C9(CC8=N6)C)CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)O","RFXLQYCDXUKYKK-GJNJDTNOSA-N","6711244",NA,"PDBC33140","378731","Present"
-"Cephalostatin 6","","","","","","","","","","","","","","","","","","","","NSC378732","","CC1C2CC(C3=C4CCC5CC6=C(CC5(C4=CC(=C23)OC17C(CC(O7)(C)C)O)C)N=C8CC9CCC1C(C9(CC8=N6)C)CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)O","GPCYNOXHQAAREG-NADGPVQSSA-N","6711245",NA,"PDBC33141","378732","Present"
-"Cepharadione A","","","","","","","","","","","","","","","","","","","","Cepharadione A","","CN1C2=CC3=CC=CC=C3C4=C2C(=CC5=C4OCO5)C(=O)C1=O","RZIGKFTVXWUUCX-UHFFFAOYSA-N","94577",NA,"PDBC33142","650435","Present"
-"Cepharanthine","","","","","","","","","","","","","","","","","","","","CEPHARANTHINE","","CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3","YVPXVXANRNDGTA-WDYNHAJCSA-N","10206",NA,"PDBC33143","758965","Present"
-"Cercosporin from Cercospora hayii","","","","","","","","","","","","","","","","","","","","Cercosporin","","CC(CC1=C2C3=C(C(=C(C4=C3C5=C6C2=C(C(=O)C=C6OCOC5=CC4=O)C(=C1OC)O)O)OC)CC(C)O)O","MXLWQNCWIIZUQT-UHFFFAOYSA-N","2674",NA,"PDBC33144","234486","Present"
-"Cereblon modulator 1","","","","","","","","","","","","","","","","","","","","CC-90009","","C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)CNC(=O)C(C4=CC=C(C=C4)Cl)(F)F","PWBHUSLMHZLGRN-UHFFFAOYSA-N","118647211",NA,"PDBC33145","828250","Present"
-"Ceritinib","","","","","","","","","","","","","","","","","","","","NSC776422///NSC777193///Ceritinib","","CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl","VERWOWGGCGHDQE-UHFFFAOYSA-N","57379345",NA,"PDBC33146","776422///777193///800072","Present"
-"Cerivastatin","","","","","","","","","","","","","","","","","","","cerivastatin","","","CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)O)O)O","SEERZIQQUAZTOL-ANMDKAQQSA-N","446156",NA,"PDBC33147","","Absent"
-"Cerubidin","","","","","","","","","","","","","","","","","","","","Rubomycin","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O","STQGQHZAVUOBTE-UHFFFAOYSA-N","2958",NA,"PDBC33148","112758","Present"
-"Cervicarcin","","","","","","","","","","","","","","","","","","","","cervicarcin","","CC1C(C23C(=O)C4=C(C(C2(O3)C(C1(C(=O)C5C(O5)C)O)O)O)C(=CC=C4)O)O","ZGZVMKCZHDIFQA-UHFFFAOYSA-N","29219",NA,"PDBC33149","65380","Present"
-"Cetalkonium chloride","","","","","","","","","","","","","","","","","","","","Cetalkonium Chloride","","CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]","SXPWTBGAZSPLHA-UHFFFAOYSA-M","31202",NA,"PDBC33150","32942","Present"
-"Cetiedil citrate","","","","","","","","","","","","","","","","","","","","Cetiedil citrate","","C1CCCN(CC1)CCOC(=O)C(C2CCCCC2)C3=CSC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","XMGJGSKRRWXOIF-UHFFFAOYSA-N","66383",NA,"PDBC33151","662129","Present"
-"Cetil Orange RR","","","","","","","","","","","","","","","","","","","","Acid Orange R","","C1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","WYCBCDZIPXSHFH-UHFFFAOYSA-N","135421986",NA,"PDBC33152","45548","Present"
-"Cetrimonium bromide","","","","","","","","","","","","","","","","","","","","n-Hexadecyltrimethylammonium bromide///CETRIMONIUM BROMIDE","","CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]","LZZYPRNAOMGNLH-UHFFFAOYSA-M","5974",NA,"PDBC33153","32927///758401","Present"
-"Cetylpyridinium chloride","","","","","","","","","","","","","","","","","","","","ceprim///CETYLPYRIDINIUM CHLORIDE","","CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]","YMKDRGPMQRFJGP-UHFFFAOYSA-M","31239",NA,"PDBC33154","14864///756673","Present"
-"Cevine","","","","","","","","","","","","","","","","","","","","Cevin","","CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)O)O)C)O)O)O)(C)O","MZHXYVMEVBEFAL-UHFFFAOYSA-N","264634",NA,"PDBC33155","99804","Present"
-"Chaetochromin","","","","","","","","","","","","","","","","","","","","chaetochromin","","CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)C","RHNVLFNWDGWACV-UHFFFAOYSA-N","53277",NA,"PDBC33156","345647","Present"
-"Chaetoglobosin A","","","","","","","","","","","","","","","","","","","","Chaetoglobosin A","","CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CC(=O)C(C(=C1)C)O)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C","OUMWCYMRLMEZJH-MIUJFZNDSA-N","5477906",NA,"PDBC33157","366739","Present"
-"Chaetomellic acid A, Disodium salt","","","","","","","","","","","","","","","","","","","","chaetomellic acid a, disodium salt","","CCCCCCCCCCCCCCC(=C(C)C(=O)O)C(=O)O.[Na+]","XVPYUUXUJRBAFW-XYJRJTJESA-N","54608775",NA,"PDBC33158","675835","Present"
-"Chalcone","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 1,3-diphenyl-, (E)-","","C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2","DQFBYFPFKXHELB-VAWYXSNFSA-N","637760",NA,"PDBC33159","167107","Present"
-"Chalcone analog","","","","","","","","","","","","","","","","","","","","CHALCONE ANALOG","","COC1=CC(=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4","ASBHMHPBHPYMIS-YRNVUSSQSA-N","6296717",NA,"PDBC33160","331935","Present"
-"Chalcone, 2',3,4-trihydroxy-","","","","","","","","","","","","","","","","","","","","Chalcone, 2',3,4-trihydroxy-","","C1=CC=C(C(=C1)C(=O)C=CC2=CC(=C(C=C2)O)O)O","PSYVAIWGYVDYHN-ALCCZGGFSA-N","40492949",NA,"PDBC33161","37433","Present"
-"Chapliatrin","","","","","","","","","","","","","","","","","","","","Chapliatrin","","CC=C(COC(=O)C)C(=O)OC1CC2(CCC(C(C(O2)C3C1C(=C)C(=O)O3)COC(=O)C)O)C","XYDKBCJHVLMYMJ-GIDUJCDVSA-N","5476653",NA,"PDBC33162","249956","Present"
-"Chelerythrine","","","","","","","","","","","","","","","","","","","","Chelerythrine///toddalin","","C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5","LLEJIEBFSOEYIV-UHFFFAOYSA-N","2703",NA,"PDBC33163","36405///76023","Present"
-"Chelidonic acid","","","","","","","","","","","","","","","","","","","","jerva acid","","C1=C(OC(=CC1=O)C(=O)O)C(=O)O","PBAYDYUZOSNJGU-UHFFFAOYSA-N","7431",NA,"PDBC33164","3979","Present"
-"Chelocardin dodecyl sulfate","","","","","","","","","","","","","","","","","","","","chelocardin dodecyl sulfate","","CCCCCCCCCCCCOS(=O)(=O)O.CC1=C(C2=C(C3=C(CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)C)N)C(=C2C=C1)C)O)O","LCLUJNHUTNSQLT-UHFFFAOYSA-N","415844",NA,"PDBC33165","73495","Present"
-"ChemDiv1_000166","","","","","","","","","","","","","","","","","","","","ChemDiv1_000166","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C","AMYNTEMFHMIBMZ-UHFFFAOYSA-N","403860",NA,"PDBC33166","719393","Present"
-"ChemDiv1_000969","","","","","","","","","","","","","","","","","","","","ChemDiv1_000969","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(O3)C4=CC=CC=C4","WRCXJNPCCIZIOQ-UHFFFAOYSA-N","397073",NA,"PDBC33167","704386","Present"
-"ChemDiv1_005833","","","","","","","","","","","","","","","","","","","","ChemDiv1_005833","","C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)O)C#N","IFPNWUPLRFRCRO-UHFFFAOYSA-N","398162",NA,"PDBC33168","707694","Present"
-"ChemDiv1_008548","","","","","","","","","","","","","","","","","","","","ChemDiv1_008548","","COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","ZXJUNQDJGPVLKM-UHFFFAOYSA-N","3732101",NA,"PDBC33169","746064","Present"
-"ChemDiv1_008629","","","","","","","","","","","","","","","","","","","","ChemDiv1_008629","","C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O","NBGARSVWAUUWLK-UHFFFAOYSA-N","364802",NA,"PDBC33170","631561","Present"
-"ChemDiv1_011311","","","","","","","","","","","","","","","","","","","","ChemDiv1_011311","","CCOC1=CC=C(C=C1)C2C3=C(CCN2C(=O)C4=CC=CS4)C5=CC=CC=C5N3","JTWPHVBXINDCLN-UHFFFAOYSA-N","403099",NA,"PDBC33171","717571","Present"
-"ChemDiv1_017614","","","","","","","","","","","","","","","","","","","","ChemDiv1_017614","","CC1=C(C(=CC=C1)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4","UJBSCEQIYILHIL-UHFFFAOYSA-N","403071",NA,"PDBC33172","717542","Present"
-"ChemDiv1_017788","","","","","","","","","","","","","","","","","","","","ChemDiv1_017788","","C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)Br","PODWVIXNCKDPAZ-UHFFFAOYSA-N","403062",NA,"PDBC33173","717534","Present"
-"ChemDiv1_017832","","","","","","","","","","","","","","","","","","","","ChemDiv1_017832","","CC1=CC(=C(C=C1)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4","KRMJMNXHUNMACV-UHFFFAOYSA-N","403063",NA,"PDBC33174","717535","Present"
-"ChemDiv1_019598","","","","","","","","","","","","","","","","","","","","ChemDiv1_019598","","C1=CC2=C(C=C1Br)C3=NNC(=S)N=C3N2","QFJVRRZSQIPAMW-UHFFFAOYSA-N","135401551",NA,"PDBC33175","689826","Present"
-"ChemDiv1_019773","","","","","","","","","","","","","","","","","","","","ChemDiv1_019773","","CCOP(=O)(C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC)OCC","YYVQGMBTHJSGCT-UHFFFAOYSA-N","378741",NA,"PDBC33176","661840","Present"
-"ChemDiv1_019776","","","","","","","","","","","","","","","","","","","","ChemDiv1_019776","","CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C=C2)O)C(C)(C)CC","DHEJKONKJWLHGP-UHFFFAOYSA-N","122566",NA,"PDBC33177","605762","Present"
-"ChemDiv1_019831","","","","","","","","","","","","","","","","","","","","ChemDiv1_019831","","CC1=C2C(=CC(=N1)C3=CC4=C(C=CC(=C4)Cl)OC3=O)C5=C(C=CC(=C5)Cl)OC2=O","KYGOCZHVURVMGW-UHFFFAOYSA-N","395983",NA,"PDBC33178","701107","Present"
-"ChemDiv1_019916","","","","","","","","","","","","","","","","","","","","ChemDiv1_019916","","CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CN(C6=CC=CC=C65)CC7=CC=C(C=C7)Cl)C(=O)C1)C","OREQNSPAFLLDAI-UHFFFAOYSA-N","403068",NA,"PDBC33179","717539","Present"
-"ChemDiv1_023582","","","","","","","","","","","","","","","","","","","","ChemDiv1_023582","","C1=CC=C(C=C1)N2C(=S)N(C3(C2(C4=CC=CC=C4C3=O)O)O)C5=CC=CC=C5","QZYDMWIHROOQLJ-UHFFFAOYSA-N","368006",NA,"PDBC33180","638235","Present"
-"ChemDiv1_023855","","","","","","","","","","","","","","","","","","","","ChemDiv1_023855","","C1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3","SRZDVYZVEYALFB-UHFFFAOYSA-N","177746",NA,"PDBC33181","645039","Present"
-"ChemDiv1_025629","","","","","","","","","","","","","","","","","","","","ChemDiv1_025629","","C1=CC=C(C=C1)C2=C(N=C(N2)C3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)C4=CC=CC=C4","JYOCLQXLGXNRPW-UHFFFAOYSA-N","3112010",NA,"PDBC33182","717508","Present"
-"ChemDiv1_026719","","","","","","","","","","","","","","","","","","","","ChemDiv1_026719","","CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C","VXTIMMAQPHHBAG-UHFFFAOYSA-N","376365",NA,"PDBC33183","657197","Present"
-"ChemDiv1_028328","","","","","","","","","","","","","","","","","","","","ChemDiv1_028328","","CC12CC(C(C(=O)N1)C(=O)OC)C3=CC=CC=C3O2","BROGKWPVKZILGE-UHFFFAOYSA-N","364228",NA,"PDBC33184","630079","Present"
-"ChemDiv2_000241","","","","","","","","","","","","","","","","","","","","ChemDiv2_000241","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4C(=O)N3","KNNPAJBJUSJPJF-UHFFFAOYSA-N","135420366",NA,"PDBC33185","684975","Present"
-"ChemDiv2_001941","","","","","","","","","","","","","","","","","","","","ChemDiv2_001941","","C1=CC=C(C=C1)N2C3=C(C(=NC=N3)Cl)SC2=S","FQYRZHWDMVRYHF-UHFFFAOYSA-N","373692",NA,"PDBC33186","650584","Present"
-"ChemDiv2_002737","","","","","","","","","","","","","","","","","","","","ChemDiv2_002737","","CC1=C(C2=CC=CC=C2N1)C3CC(=O)NC3=O","WXYALNNGKUJFKN-UHFFFAOYSA-N","363323",NA,"PDBC33187","628180","Present"
-"ChemDiv2_003457","","","","","","","","","","","","","","","","","","","","ChemDiv2_003457","","CCOC(=O)CC1=NN2C(=O)C=C(N=C2S1)C","MQMVOCWCDBOYOM-UHFFFAOYSA-N","385805",NA,"PDBC33188","677199","Present"
-"ChemDiv2_006729","","","","","","","","","","","","","","","","","","","","ChemDiv2_006729","","C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl","TVCKGOVWZJUTNR-UHFFFAOYSA-N","396879",NA,"PDBC33189","703906","Present"
-"ChemDiv3_000077","","","","","","","","","","","","","","","","","","","","ChemDiv3_000077","","C1CN(CCN1CC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=S","BQOFIHKBQDUWDE-UHFFFAOYSA-N","376585",NA,"PDBC33190","657597","Present"
-"ChemDiv3_000194","","","","","","","","","","","","","","","","","","","","ChemDiv3_000194","","C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4OC3=O","JHKGSKCTPVNCNJ-UHFFFAOYSA-N","395955",NA,"PDBC33191","701079","Present"
-"ChemDiv3_000196","","","","","","","","","","","","","","","","","","","","ChemDiv3_000196","","C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CN=CN3)C(=O)O","CTUUVOUXZNQMSU-UHFFFAOYSA-N","261550",NA,"PDBC33192","93967","Present"
-"ChemDiv3_000482","","","","","","","","","","","","","","","","","","","","ChemDiv3_000482","","C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=O)NC4=O","FPGWJDJJATWIGG-UHFFFAOYSA-N","3110612",NA,"PDBC33193","748583","Present"
-"ChemDiv3_000627","","","","","","","","","","","","","","","","","","","","ChemDiv3_000627","","C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)O","DRLOEQUWBUTGTH-UHFFFAOYSA-N","402449",NA,"PDBC33194","716419","Present"
-"ChemDiv3_000672","","","","","","","","","","","","","","","","","","","","ChemDiv3_000672","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=NC3=CC=C(C=C3)F)O2)C(=O)N","OVSZUDCBTWIXMG-UHFFFAOYSA-N","397122",NA,"PDBC33195","704435","Present"
-"ChemDiv3_000752","","","","","","","","","","","","","","","","","","","","ChemDiv3_000752","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C5=CC=CC=C5SC4=N3","HSRAFAOEQXTADE-UHFFFAOYSA-N","395979",NA,"PDBC33196","701103","Present"
-"ChemDiv3_001104","","","","","","","","","","","","","","","","","","","","ChemDiv3_001104","","CN(C)CCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)OC","POVGDMXEDGPTGA-UHFFFAOYSA-N","396118",NA,"PDBC33197","701665","Present"
-"ChemDiv3_001941","","","","","","","","","","","","","","","","","","","","ChemDiv3_001941","","CCOC(=O)C1=C2C=CC=CN2C3=C1C(=O)C4=CC=CC=C4C3=O","RCDIUAFMNCXJRV-UHFFFAOYSA-N","273769",NA,"PDBC33198","119236","Present"
-"ChemDiv3_002735","","","","","","","","","","","","","","","","","","","","ChemDiv3_002735","","C1=CC=C(C=C1)C2=CSC3=C2C4=NN=CN4C=N3","IHYCWHDELTTWEI-UHFFFAOYSA-N","360857",NA,"PDBC33199","623518","Present"
-"ChemDiv3_003003","","","","","","","","","","","","","","","","","","","","ChemDiv3_003003","","C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=CC=CC=C4NC3=O)O","IVAVELBVHXCUDH-UHFFFAOYSA-N","359724",NA,"PDBC33200","621170","Present"
-"ChemDiv3_006769","","","","","","","","","","","","","","","","","","","","ChemDiv3_006769","","C1C(OC2=CC=CC=C2O1)CCC(=O)O","RSELCPGRYREMTC-UHFFFAOYSA-N","267548",NA,"PDBC33201","106901","Present"
-"ChemDiv3_015075","","","","","","","","","","","","","","","","","","","","ChemDiv3_015075","","C1C(C(=O)N(C1=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43","YSZCDIFFVAZIBE-UHFFFAOYSA-N","363322",NA,"PDBC33202","628179","Present"
-"ChemDivAM_000505","","","","","","","","","","","","","","","","","","","","ChemDivAM_000505","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)C6=C(C(=CC=C6)F)F","ZDULKAHHRQEWKJ-UHFFFAOYSA-N","403081",NA,"PDBC33203","717553","Present"
-"ChemDivAM_000545","","","","","","","","","","","","","","","","","","","","ChemDivAM_000545","","CC1=CC=CC=C1C(=O)N2CCC3=C(C2)NC4=CC=CC=C34","NVTCEUJHWFLJBS-UHFFFAOYSA-N","403051",NA,"PDBC33204","717523","Present"
-"ChemDivAM_001114","","","","","","","","","","","","","","","","","","","","ChemDivAM_001114","","CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC=C3","SCWDIXHHIUWDED-UHFFFAOYSA-N","353213",NA,"PDBC33205","600768","Present"
-"Chembl138915","","","","","","","","","","","","","","","","","","","","5-Fluoro-2'-deoxyuridyl 2-(1,4-naphthoquinonyl)methyl N-...","","CN(CCCCCl)P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)OCC3=CC(=O)C4=CC=CC=C4C3=O","VIOXADGCOMQISB-UHFFFAOYSA-N","404842",NA,"PDBC33206","721386","Present"
-"Chembl139442","","","","","","","","","","","","","","","","","","","","5-fluoro-2'-deoxyuridyl 5-nitrofuryl N-methyl-N-(4-chlor...","","CN(CCCCCl)P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)OCC3=CC=C(O3)[N+](=O)[O-]","QJSUJNHXESNBMF-UHFFFAOYSA-N","404841",NA,"PDBC33207","721385","Present"
-"Chembl1980354","","","","","","","","","","","","","","","","","","","","CASTANOSPERMINE","","C1CN2CC(C(C(C2C1O)O)O)O","JDVVGAQPNNXQDW-OMVCODFRSA-N","356986",NA,"PDBC33208","614552","Present"
-"Chembl1997442","","","","","","","","","","","","","","","","","","","","3-Amino-5-methoxy-2-(4-pyridylmethyl)inden-1-one","","COC1=CC2=C(C=C1)C(=O)C(=C2N)CC3=CC=NC=C3","LADVDHPMHRSARD-UHFFFAOYSA-N","396930",NA,"PDBC33209","704114","Present"
-"Chembl237184","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)methyl]chromen-2-one","","C1=CC=C2C=C(C=CC2=C1)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","VYICSZDCHJOOLB-UHFFFAOYSA-N","54714087",NA,"PDBC33210","686380","Present"
-"Chembl239632","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(3-quinolyl)methyl]chromen-2-one","","C1=CC=C2C(=C1)C=C(C=N2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","OATUCGPJXJOYHJ-UHFFFAOYSA-N","54714086",NA,"PDBC33211","686388","Present"
-"Chembl239843","","","","","","","","","","","","","","","","","","","","3-[(3,5-Dibenzyloxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one","","C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O)OCC7=CC=CC=C7","FQZUYGVPYXUBRC-UHFFFAOYSA-N","54682817",NA,"PDBC33212","686385","Present"
-"Chembl3039369","","","","","","","","","","","","","","","","","","","","selamectin (usan)","","CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)O)OC)C)OC1C7CCCCC7","AFJYYKSVHJGXSN-XUCDQRGXSA-N","16667695",NA,"PDBC33213","758615","Present"
-"Chembl4125752","","","","","","","","","","","","","","","","","","","","JNJ-54302833","","CN1C=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=NC5(CC5)C(=O)N4CC6CCN(C6)C(=O)C7CC7","VXNJFKPHXOAQEY-HXUWFJFHSA-N","73332466",NA,"PDBC33214","782125","Present"
-"Chembl4126156","","","","","","","","","","","","","","","","","","","","AZD-3458","","CC1=C(SC(=N1)NC(=O)C)C2=CC3=C(C(=C2)S(=O)(=O)C)C(=O)N(C3)C(C)C4CC4","PAQUFWFUOVDUIO-NSHDSACASA-N","134611894",NA,"PDBC33215","819210","Present"
-"Chembl4160143","","","","","","","","","","","","","","","","","","","","NSC792810","","COC1=CC(=CC=C1)OC2=NC(=NC=C2NC(=O)NC3=CC(=CC(=C3)OC)OC)NC4=CC=C(C=C4)N5CCOCC5","SBLCNWNDMUJOKH-UHFFFAOYSA-N","142749657",NA,"PDBC33216","792810","Present"
-"Chembl4160862","","","","","","","","","","","","","","","","","","","","NSC791023","","C1CS(=O)C2=C(C3=C(C=NC3=C(C2=N1)O)CO)N","PQBFSFJACHRLJW-UHFFFAOYSA-N","145957190",NA,"PDBC33217","791023","Present"
-"Chembl4161392","","","","","","","","","","","","","","","","","","","","NSC799732","","COC1=CC=C(C=C1)C2=NOC(=C2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O","PRJQRPVDHOTPSV-UHFFFAOYSA-N","145916476",NA,"PDBC33218","799732","Present"
-"Chembl4162334","","","","","","","","","","","","","","","","","","","","NTD-191","","CN(C)CCN1CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC","YUMNTRHQUNZDNO-UHFFFAOYSA-N","145957984",NA,"PDBC33219","793460","Present"
-"Chembl4163587","","","","","","","","","","","","","","","","","","","","(R)-2-[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperid...","","COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC(C3)NC4=CC(=O)C5=CC=CC=C5C4=O)N)OC","ZLHMTVZLNSBOJW-AWEZNQCLSA-N","145962478",NA,"PDBC33220","768137","Present"
-"Chembl4163794","","","","","","","","","","","","","","","","","","","","NSC798752","","CCSC(=C(C#N)C(=O)NC1=CC=C(C=C1)OC)NC2=CC=CC=C2","KREPXHBANDJFSE-HTXNQAPBSA-N","145957781",NA,"PDBC33221","798752","Present"
-"Chembl4164980","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4-dimethoxyphenyl)-1...","","COC1=C(C=C(C=C1)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C=C3)OC)OC)OC","ROFXJBJMKPEHEA-BQYQJAHWSA-N","117928347",NA,"PDBC33222","774979","Present"
-"Chembl4165416","","","","","","","","","","","","","","","","","","","","NSC782379","","CCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4)NC(=O)CCN5CCCC5","YKTXADZTPSHAEX-UHFFFAOYSA-N","145955857",NA,"PDBC33223","782379","Present"
-"Chembl4165869","","","","","","","","","","","","","","","","","","","","NSC785401","","C1CN(CCC1NC(=O)C(CC2=CNC3=CC=CC=C32)N)CC4=CNC5=C4C=C(C=C5)Cl","LMAYILTVNBZXSW-QFIPXVFZSA-N","121424047",NA,"PDBC33224","785401","Present"
-"Chembl4167304","","","","","","","","","","","","","","","","","","","","NSC797930","","CCN(CC)CCN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC","ORRYPOXCZYPJKU-UHFFFAOYSA-N","145955920",NA,"PDBC33225","797930","Present"
-"Chembl4167660","","","","","","","","","","","","","","","","","","","","NTD-192","","COC1=C(C=C2C(=C1)CN(C3=C2C=CC4=CC5=C(C=C43)OCO5)CCCN6C=CN=C6)OC","HVNHWFXBZPKIDY-UHFFFAOYSA-N","145953630",NA,"PDBC33226","793461","Present"
-"Chembl4167805","","","","","","","","","","","","","","","","","","","","(E)-2-((3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)met...","","COC1=C(C=C2C(=C1)CC(=CC3=CC(=NN3)C4=CC5=C(C=C4)OCO5)C2=O)OC","WQZGNGGEIXKTHL-MKMNVTDBSA-N","117928416",NA,"PDBC33227","768398","Present"
-"Chembl4168800","","","","","","","","","","","","","","","","","","","","NSC791022","","C1CSC2=C(C3=C(C=NC3=C(C2=N1)O)CO)N","KGENHOSDJOUGRC-UHFFFAOYSA-N","145953684",NA,"PDBC33228","791022","Present"
-"Chembl4170301","","","","","","","","","","","","","","","","","","","","(E)-1-(4-aminophenyl)-3-(3-(3,4-dimethoxyphenyl)-1H-pyra...","","COC1=C(C=C(C=C1)C2=NNC(=C2)C=CC(=O)C3=CC=C(C=C3)N)OC","IZGZIPOLPNIXJK-CMDGGOBGSA-N","117928209",NA,"PDBC33229","774981","Present"
-"Chembl4170692","","","","","","","","","","","","","","","","","","","","NSC797926","","CN(C)CCN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC","HIRWEADVTAWACU-UHFFFAOYSA-N","145950887",NA,"PDBC33230","797926","Present"
-"Chembl4171007","","","","","","","","","","","","","","","","","","","","NSC784186","","CCCCOC1=NC2=CC=CC=C2C=C1C3CNC(=O)C4=CC=CC=C4N3","LUJBAMOKZWVHOR-UHFFFAOYSA-N","145951545",NA,"PDBC33231","784186","Present"
-"Chembl4171491","","","","","","","","","","","","","","","","","","","","(S)-2-[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperid...","","COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC(C3)NC4=CC(=O)C5=CC=CC=C5C4=O)N)OC","ZLHMTVZLNSBOJW-CQSZACIVSA-N","145949210",NA,"PDBC33232","768136","Present"
-"Chembl4171663","","","","","","","","","","","","","","","","","","","","NTD-148","","COC1=C(C=C2C(=C1)CN(C3=C2C=CC4=CC5=C(C=C43)OCO5)CCN6CCCC6)OC","MXHXOYWREZYVAW-UHFFFAOYSA-N","145949637",NA,"PDBC33233","793453","Present"
-"Chembl4173009","","","","","","","","","","","","","","","","","","","","NTD-185","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C=C3)OCO5)N(C2=O)CCCN6C=CN=C6)OC","WXKYYCDHYYYUGE-UHFFFAOYSA-N","145950775",NA,"PDBC33234","793457","Present"
-"Chembl4173660","","","","","","","","","","","","","","","","","","","","(E)-1-(3,4-dimethoxyphenyl)-3-(3-(4-methoxyphenyl)-1H-py...","","COC1=CC=C(C=C1)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C=C3)OC)OC","ZUOZCBNGBZJKAW-JXMROGBWSA-N","117935720",NA,"PDBC33235","768407","Present"
-"Chembl4174385","","","","","","","","","","","","","","","","","","","","NSC36786","","COC1=CC=C(C=C1)C(=CC2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-]","YNJBCHRXOOPVIA-DHDCSXOGSA-N","5863258",NA,"PDBC33236","36786","Present"
-"Chembl4176694","","","","","","","","","","","","","","","","","","","","NSC782890","","CCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4)NC(=O)CCN5CCCCC5","AQCAQHYSCCJKTM-UHFFFAOYSA-N","145975728",NA,"PDBC33237","782890","Present"
-"Chembl4177032","","","","","","","","","","","","","","","","","","","","(E)-1-(4-aminophenyl)-3-(3-(4-methoxyphenyl)-1H-pyrazol-...","","COC1=CC=C(C=C1)C2=NNC(=C2)C=CC(=O)C3=CC=C(C=C3)N","IXCSIMVDWONBHU-DHZHZOJOSA-N","117935784",NA,"PDBC33238","768408","Present"
-"Chembl4203601","","","","","","","","","","","","","","","","","","","","NSC785399","","CC1=CC2=C(C=C1C)N(C(=N2)NCCN)CC3=CC(=C(C=C3)F)Cl","NAQWEDXRLSNOKB-UHFFFAOYSA-N","145975788",NA,"PDBC33239","785399","Present"
-"Chembl4205017","","","","","","","","","","","","","","","","","","","","3-(3-Nitroso-1H-indol-2-yl)-5-propan-2-yl-1H-indol-2-ol","","CC(C)C1=CC2=C(C=C1)NC(=C2C3=C(C4=CC=CC=C4N3)N=O)O","GEKVTOGDSXKZDW-UHFFFAOYSA-N","403178",NA,"PDBC33240","717832","Present"
-"Chembl4205272","","","","","","","","","","","","","","","","","","","","3-ethyl-1-phenyl-4-((E)-((E)-3-phenylallylidene)amino)-5...","","CCN1C2C(NC(=S)N2N=CC=CC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4","FFXQRSNHHWEXKO-TZLYQZOHSA-N","145977855",NA,"PDBC33241","799700","Present"
-"Chembl4205702","","","","","","","","","","","","","","","","","","","","1,3-diethyl-4-((E)-((E)-3-phenylallylidene)amino)-5-thio...","","CCN1C2C(N(C1=O)CC)N(C(=S)N2)N=CC=CC3=CC=CC=C3","ZKFBHJXHPXBJBI-BUJDNCMTSA-N","145975875",NA,"PDBC33242","799699","Present"
-"Chembl4205840","","","","","","","","","","","","","","","","","","","","WW-H1","","C1=CC(=CC=C1NC(=O)CCCCCCC(=O)NO)N(CCCl)CCCl","YKRPYLZHNJSUEJ-UHFFFAOYSA-N","145977632",NA,"PDBC33243","757000","Present"
-"Chembl4207519","","","","","","","","","","","","","","","","","","","","BGB-283","","C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)OC5C4C5C6=NC7=C(N6)C=C(C=C7)C(F)(F)F","NGFFVZQXSRKHBM-YPAWHYETSA-N","89670173",NA,"PDBC33244","793323","Present"
-"Chembl4209811","","","","","","","","","","","","","","","","","","","","3-[2-(5-fluoro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-(2-met...","","COCCN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)F","NJURVYNEJRTRBB-UHFFFAOYSA-N","145965905",NA,"PDBC33245","783865","Present"
-"Chembl4210068","","","","","","","","","","","","","","","","","","","","1,3-diethyl-4-((E)-((E)-3-(2-methoxyphenyl)allylidene)am...","","CCN1C2C(N(C1=O)CC)N(C(=S)N2)N=CC=CC3=CC=CC=C3OC","MTYNXDRAJLIBDC-SLUIUKIVSA-N","145966124",NA,"PDBC33246","799678","Present"
-"Chembl4210197","","","","","","","","","","","","","","","","","","","","1,3-diethyl-6-((E)-((E)-3-(2-methoxyphenyl)allylidene)am...","","CCN1C2C(N(C1=O)CC)N(C(=N2)SC)N=CC=CC3=CC=CC=C3OC","ISEAYDRBLSFJMC-ZEQSIELKSA-N","145964068",NA,"PDBC33247","803200","Present"
-"Chembl4210936","","","","","","","","","","","","","","","","","","","","NSC783233","","C1=CC=C(C=C1)CN2C=CC=C2C=C3C4=CC=CC=C4N(C3=O)C5=C(C=CC=C5Cl)Cl","MGVZMNSMZLHUKO-PGMHBOJBSA-N","145964776",NA,"PDBC33248","783233","Present"
-"Chembl4212059","","","","","","","","","","","","","","","","","","","","NSC790039","","C1=CC=C(C=C1)NC2=NNC(=C2C3=NC4=CC=CC=C4S3)N","MZQUELMTQIXQPL-UHFFFAOYSA-N","86340067",NA,"PDBC33249","790039","Present"
-"Chembl4212264","","","","","","","","","","","","","","","","","","","","5-Ethyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol","","CCC1=CC2=C(C=C1)NC(=C2C3=C(C4=CC=CC=C4N3)N=O)O","DREYLTBUOXSPHC-UHFFFAOYSA-N","403177",NA,"PDBC33250","717831","Present"
-"Chembl4213310","","","","","","","","","","","","","","","","","","","","NSC793371","","CC1CC(C2C(=C1)C=CC3(C2(C(=O)CC(O3)O)C)C)OC(=O)C(C)C(C(=CCCC(=O)C)C)O","ZJKIOFVUKLNKSP-WPLLWEEISA-N","145966517",NA,"PDBC33251","793371","Present"
-"Chembl4213508","","","","","","","","","","","","","","","","","","","","(5R)-2-ethyl-3-carboxy-5-(ethyl carboxy)-1-thia-4-aza-2-...","","CCC1=C(NC(CS1)C(=O)OCC)C(=O)O","YXKNSWHZWIJXLE-LURJTMIESA-N","137469474",NA,"PDBC33252","803591","Present"
-"Chembl4213970","","","","","","","","","","","","","","","","","","","","SCH900353","","CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)C4(CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)SC","KPQQGHGDBBJGFA-QNGWXLTQSA-N","58282870",NA,"PDBC33253","818002","Present"
-"Chembl4215891","","","","","","","","","","","","","","","","","","","","2-(p-Fluorophenyl)-estra-3,17b-diol","","CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)C5=CC=C(C=C5)F)O","LEMVEIXRUOWQCD-YDNKQOOJSA-N","45028066",NA,"PDBC33254","740983","Present"
-"Chembl4216473","","","","","","","","","","","","","","","","","","","","AZD-3229","","CC(C)C1=CN(N=N1)CC(=O)NC2=CC=C(C=C2)NC3=NC=NC4=C3C(=CC(=C4)OCCOC)F","FLJOFQUXYAWOPE-UHFFFAOYSA-N","134814269",NA,"PDBC33255","813380","Present"
-"Chembl4217147","","","","","","","","","","","","","","","","","","","","3-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]-1-(2-methoxyethyl...","","COCCN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=CC=CC=C54","FJYKJKHXXREEMQ-UHFFFAOYSA-N","145973314",NA,"PDBC33256","783854","Present"
-"Chembl4217644","","","","","","","","","","","","","","","","","","","","1,3-dimethyl-4-((E)-((E)-3-(2-nitrophenyl)allylidene)ami...","","CN1C2C(N(C1=O)C)N(C(=S)N2)N=CC=CC3=CC=CC=C3[N+](=O)[O-]","SBKMDQUCVBDIFB-ASWACWRWSA-N","145973786",NA,"PDBC33257","799702","Present"
-"Chembl4218629","","","","","","","","","","","","","","","","","","","","3-[2-(5-bromo-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-(2-meth...","","COCCN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","KVDZHBCSKQDFJP-UHFFFAOYSA-N","145969627",NA,"PDBC33258","783862","Present"
-"Chembl4225025","","","","","","","","","","","","","","","","","","","","NSC783532","","CC1=NC2=C(CCC2)C(=N1)N(C)C3=CC=C(C=C3)SC","TWQXMRJSCLJOPP-UHFFFAOYSA-N","122628499",NA,"PDBC33259","783532","Present"
-"Chembl4243567","","","","","","","","","","","","","","","","","","","","NSC785398","","CC(C1CC1)NC2=NC(=NC3=C2C=CC=C3C4=CCNCC4)NC5=CC(=C(C=C5)F)Cl","YQFXBUIYNRLMAO-CQSZACIVSA-N","137322683",NA,"PDBC33260","785398","Present"
-"Chembl4244656","","","","","","","","","","","","","","","","","","","","(S,E)-ethyl 5-((S)-2-(((benzyloxy)carbonyl)amino)-3-phen...","","CCOC(=O)C=CC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","WISLRZADXFYSET-BUZBWCNWSA-N","145985037",NA,"PDBC33261","783088","Present"
-"Chembl4245081","","","","","","","","","","","","","","","","","","","","NSC785402","","CC(C1CC1)NC2=NC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)F)Cl","LSMKBOZJAWCJNL-LLVKDONJSA-N","137322682",NA,"PDBC33262","785402","Present"
-"Chembl4246869","","","","","","","","","","","","","","","","","","","","NSC798853","","C1CNCCC1CNCC2=CC=C(O2)C3=C(C=C(C=C3)Cl)C4=CC=CC=C4","BGGHSRZVZYUMIT-UHFFFAOYSA-N","145982842",NA,"PDBC33263","798853","Present"
-"Chembl4276891","","","","","","","","","","","","","","","","","","","","NSC791254","","C#CC1(C(OC(C1O)N2C=C(C3=C(N=CN=C32)N)Cl)CO)O","QXBJHLKMSCVVRS-SEBFSPHVSA-N","145985647",NA,"PDBC33264","791254","Present"
-"Chembl4277014","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((4-(4-aminophenyl)-1H-1,2,3-tri...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC=C(C=C5)N","WJRKWIHULFPPQS-UVHRBFQASA-N","145983691",NA,"PDBC33265","786079","Present"
-"Chembl4277119","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-phenyl...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC=CC=C5","NIHUEMNHVRWWIR-RAKOKPLXSA-N","137459397",NA,"PDBC33266","782104","Present"
-"Chembl4277322","","","","","","","","","","","","","","","","","","","","NSC791253","","C#CC1(C(OC(C1O)N2C=C(C3=C(N=CN=C32)N)F)CO)O","SOZJKLZVHUFJMU-SEBFSPHVSA-N","145986100",NA,"PDBC33267","791253","Present"
-"Chembl4278178","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((4-(4-methoxyphenyl)-1H-1,2,3-t...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC=C(C=C5)OC","VCGDLHPPHXFKLT-GRCRCFNVSA-N","130277574",NA,"PDBC33268","783431","Present"
-"Chembl4278808","","","","","","","","","","","","","","","","","","","","3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phena...","","C1CCC2=C(C1)C3=C(C=CC4=C3C=NN4)N=C2C5=C(C=C(C=C5)O)F","MDDJLIRTJMWIQO-UHFFFAOYSA-N","142445494",NA,"PDBC33269","801418","Present"
-"Chembl4279008","","","","","","","","","","","","","","","","","","","","NSC796412","","COC1=CC=C(C=C1)C2=NN3C=C(SC3=N2)C4=CC=C(C=C4)Cl","DNGYZARPLVYBRH-UHFFFAOYSA-N","145981655",NA,"PDBC33270","796412","Present"
-"Chembl4279151","","","","","","","","","","","","","","","","","","","","NSC793253","","C1=CC(=CC=C1C2=CC3=C(N=CN=C3S2)NC4=CC(=C(C=C4)Cl)C(F)(F)F)[N+](=O)[O-]","MBIBOICZAZBKBQ-UHFFFAOYSA-N","145980530",NA,"PDBC33271","793253","Present"
-"Chembl4279703","","","","","","","","","","","","","","","","","","","","FT-1518","","CCC(CC)N1C=NC2=C(N=C(N=C21)N3CC4CCC(C3)O4)C5=CN=C(C=N5)N","VZZGNDREIXJEAB-UHFFFAOYSA-N","53258965",NA,"PDBC33272","802820","Present"
-"Chembl4280082","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-(2-(tr...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC=CC=C5C(F)(F)F","WBXSGWAZSOHOMB-BFPAQMPXSA-N","145982150",NA,"PDBC33273","786080","Present"
-"Chembl4280439","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-propyl...","","CCCC1=CN(N=N1)CC2=CCCC3(C(O3)C4C(CC2)C(=C)C(=O)O4)C","BDKSMEQWIKWOSA-PFRVYOCJSA-N","137459543",NA,"PDBC33274","783240","Present"
-"Chembl4280635","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((4-(4-fluorophenyl)-1H-1,2,3-tr...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC=C(C=C5)F","CYDQIRZQIOCDIS-UVHRBFQASA-N","137475220",NA,"PDBC33275","783430","Present"
-"Chembl4281099","","","","","","","","","","","","","","","","","","","","NSC772813","","C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)O)F","PBLFUUIJXILSEV-UHFFFAOYSA-N","145982183",NA,"PDBC33276","772813","Present"
-"Chembl4281102","","","","","","","","","","","","","","","","","","","","NSC793695","","C#CC1(C(OC(C1O)N2C=C(C3=C(N=CN=C32)N)C(F)(F)F)CO)O","XDPAZLFPGBDSFL-SEBFSPHVSA-N","145982185",NA,"PDBC33277","793695","Present"
-"Chembl4281512","","","","","","","","","","","","","","","","","","","","NSC793693","","C#CC1(C(OC(C1O)N2C=C(C3=C(C=CN=C32)Cl)Br)CO)O","IZOAKFGZCPNHII-QEGRKFQGSA-N","145981055",NA,"PDBC33278","793693","Present"
-"Chembl4281761","","","","","","","","","","","","","","","","","","","","3-Deoxy-3-homo-3-aza-20(29)-en-lupane","","CC(=C)C1CCC2(C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C)CO","KRUMIKYEWBFJAQ-DRUCTHHFSA-N","139558849",NA,"PDBC33279","797815","Present"
-"Chembl4282477","","","","","","","","","","","","","","","","","","","","NSC788724","","CC1(C2CC=C3C(C2(C=CC1OC(=O)N)C=O)CCC4(C3(CC(C4C5=COC(=O)C=C5)Cl)O)C)C","LGQRKPYKYDALST-ZDQYYBRASA-N","145981326",NA,"PDBC33280","788724","Present"
-"Chembl4282691","","","","","","","","","","","","","","","","","","","","ethyl [6-(pentylsulfanyl)-1,3-benzothiazol-2-yl]carbamate","","CCCCCSC1=CC2=C(C=C1)N=C(S2)NC(=O)OCC","DMJSZEUNRKQTHV-UHFFFAOYSA-N","145980221",NA,"PDBC33281","781894","Present"
-"Chembl4283160","","","","","","","","","","","","","","","","","","","","NSC784161","","CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3CCCN(C3=N2)CCC4=CC=C(C=C4)OCC(=O)NCCN(CC)CC","WGEVOMAITWLUII-UHFFFAOYSA-N","145981370",NA,"PDBC33282","784161","Present"
-"Chembl4284479","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((4-(3,5-bis(trifluoromethyl)phe...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","ZREFSAMKZCTNFF-GOAPWOOUSA-N","137459401",NA,"PDBC33283","783912","Present"
-"Chembl4284518","","","","","","","","","","","","","","","","","","","","NSC791252","","C#CC1(C(OC(C1O)N2C=CC3=C(N=CN=C32)N)CO)O","BUVPSOFOBSPCHW-OTMMVIPVSA-N","145991017",NA,"PDBC33284","791252","Present"
-"Chembl4284815","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-(2,4,5...","","CC1=CC(=C(C=C1C)C2=CN(N=N2)CC3=CCCC4(C(O4)C5C(CC3)C(=C)C(=O)O5)C)C","GZWNSHPGNKHYIS-BUWYEPHTSA-N","145992177",NA,"PDBC33285","785225","Present"
-"Chembl4287532","","","","","","","","","","","","","","","","","","","","NSC791255","","C#CC1(C(OC(C1O)N2C=C(C3=C(N=CN=C32)N)Br)CO)O","TWFBNIXTCPAYBH-SEBFSPHVSA-N","145992700",NA,"PDBC33286","791255","Present"
-"Chembl4287769","","","","","","","","","","","","","","","","","","","","NSC800925","","CN(C)CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3","WZJXOAMIYWOYNO-UHFFFAOYSA-N","145991163",NA,"PDBC33287","800925","Present"
-"Chembl4288175","","","","","","","","","","","","","","","","","","","","(-)-dactylolide","","CC1=CC2CC(=C)CC(O2)CC=CC(=O)CC(=CC=CC(=O)OC(C1)C=O)C","JSRXONXXGPZPDD-WVXVWMMWSA-N","11222845",NA,"PDBC33288","740028","Present"
-"Chembl4288184","","","","","","","","","","","","","","","","","","","","NSC800924","","CN(C1COC1)C2=CC=C(C=C2)C(=O)C3=CC4=C(C=C3)N=C(N4)NC(=O)OC","MAIZRPXCWJSCMS-UHFFFAOYSA-N","129188946",NA,"PDBC33289","800924","Present"
-"Chembl4288673","","","","","","","","","","","","","","","","","","","","4-(3-(dimethylamino)propyl)-1,4-dihydro-5H-benzo[c]pyrro...","","CN(C)CCCN1C2=C3C=CNC3=NC=C2C4=CC=CC=C4C1=O","QUGVVKIFZWEMDV-UHFFFAOYSA-N","138605458",NA,"PDBC33290","789546","Present"
-"Chembl4289154","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-(thiop...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CSC=C5","XWIUIRFBWJSKGD-CWCYHTAHSA-N","145987937",NA,"PDBC33291","786078","Present"
-"Chembl4290234","","","","","","","","","","","","","","","","","","","","(1aR,7aS,10aS,10bS,E)-5-((4-(3-chlorophenyl)-1H-1,2,3-tr...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC(=CC=C5)Cl","DHNKNUXDODRYSF-WZPNFPJPSA-N","137459396",NA,"PDBC33292","783432","Present"
-"Chembl4293082","","","","","","","","","","","","","","","","","","","","NSC788726","","CC1(C2CC=C3C(C2(C4C(C1OC(=O)N)O4)C=O)CCC5(C3(CC(C5C6=COC(=O)C=C6)Cl)O)C)C","PRWPKNOLVLDXSO-OYFNOYEBSA-N","145987898",NA,"PDBC33293","788726","Present"
-"Chembl4293970","","","","","","","","","","","","","","","","","","","","neolymphostin A","","CC(C)C(=O)NC1=CC(=N)C2=NC=C3C2=C1NC(=C3)C(=O)C=COC","AMBGZHQTMCPRDB-SSQJTDSESA-N","137321157",NA,"PDBC33294","790970","Present"
-"Chembl4295176","","","","","","","","","","","","","","","","","","","","NSC791256","","C#CC1(C(OC(C1O)N2C=C(C3=C(N=CN=C32)N)I)CO)O","NBZKHJBPIXOMAL-SEBFSPHVSA-N","145993961",NA,"PDBC33295","791256","Present"
-"Chembl4296823","","","","","","","","","","","","","","","","","","","","2-(Furan-2-yl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one","","C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=CO4","UZMJKUTVUYXUED-UHFFFAOYSA-N","342597",NA,"PDBC33296","379651","Present"
-"Chembl4296842","","","","","","","","","","","","","","","","","","","","2-Benzyl-N-[(E)-benzylideneamino]tetrazol-5-amine","","C1=CC=C(C=C1)CN2N=C(N=N2)NN=CC3=CC=CC=C3","KFHMAIBXGBCAJT-LFIBNONCSA-N","9562683",NA,"PDBC33297","168225","Present"
-"Chembl4296900","","","","","","","","","","","","","","","","","","","","1H-Inden-1-one, 6-[2-(dimethylamino)ethoxy]-2,3-dihydro-...","","CN1C(=CN=C1C=C2CC3=C(C2=O)C=C(C=C3)OCCN(C)C)[N+](=O)[O-].OS(=O)(=O)O","QCDIRNSCHKOUIQ-CHHCPSLASA-N","54600468",NA,"PDBC33298","277184","Present"
-"Chembl4296906","","","","","","","","","","","","","","","","","","","","4-(1H-Benzimidazol-2-ylmethylamino)benzoic acid;hydrochloride","","C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)O.Cl","LMWOSKXOUYEVPI-UHFFFAOYSA-N","54602043",NA,"PDBC33299","56779","Present"
-"Chembl4296980","","","","","","","","","","","","","","","","","","","","10,13-dimethyl-17-(2-methyl-1,3-thiazol-4-yl)-1,2,6,7,8,...","","CC1=NC(=CS1)C2CCC3C2(CCC4C3CCC5=CC(=O)CCC45C)C","NIYPNKHDGWDAOX-ACXQXYJUSA-N","259211",NA,"PDBC33300","88916","Present"
-"Chembl4296983","","","","","","","","","","","","","","","","","","","","Cinnamamide, N-(4-amino-2-methyl-6-quinolyl)-o-chloro-","","CC1=CC(=C2C=C(C=CC2=N1)NC(=O)C=CC3=CC=CC=C3Cl)N","MLKVGBZASWPPOU-TWGQIWQCSA-N","40492789",NA,"PDBC33301","33353","Present"
-"Chembl4297040","","","","","","","","","","","","","","","","","","","","(Z)-1-(5-Chloro-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one","","C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)C3=C(C=CC(=C3)Cl)O","MOGBASXXMDTQMD-NTMALXAHSA-N","40491342",NA,"PDBC33302","71097","Present"
-"Chembl4299934","","","","","","","","","","","","","","","","","","","","2-{2-[2-(triphenylphosphonio)ethoxy]ethoxy}ethyl 3-(acet...","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OCCOCCOCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","PPCQWVFGIHBRBH-XWRKYFJKSA-N","145946177",NA,"PDBC33303","791861","Present"
-"Chembl4300007","","","","","","","","","","","","","","","","","","","","N-(2-aminoethyl)-3-((3,5-di-tert-butylphenyl)sulfonamido...","","CC(C)(C)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NCCN)C(C)(C)C","ZWSNIIOEARWNPZ-UHFFFAOYSA-N","145946329",NA,"PDBC33304","783192","Present"
-"Chembl4300670","","","","","","","","","","","","","","","","","","","","2-{2-[2-(triphenylphosphonio)ethoxy]ethoxy}ethyl (3beta)...","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C(Cl)Cl)C)C)C2C1C)C)C(=O)OCCOCCOCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","RNNRYIJYCZKPNA-IIGKMFOJSA-N","145946836",NA,"PDBC33305","791859","Present"
-"Chembl4300762","","","","","","","","","","","","","","","","","","","","4-(triphenylphosphonio)butyl (17alpha,18alpha,19alpha)-3...","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C(Cl)Cl)C)C)C2C1C)C)C(=O)OCCCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","XYRPZFYRAOHGMW-FKWJDDPUSA-N","145946560",NA,"PDBC33306","791858","Present"
-"Chembl4300937","","","","","","","","","","","","","","","","","","","","2-{2-[2-(triphenylphosphonio)ethoxy]ethoxy}ethyl 3-[(dic...","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C(Cl)Cl)C)C(=O)OCCOCCOCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","BSCMSSQIXTWTBE-QMNLRFMLSA-N","145946863",NA,"PDBC33307","791857","Present"
-"Chembl4302932","","","","","","","","","","","","","","","","","","","","4-(triphenylphosphonio)butyl 3-[(dichloroacetyl)oxy]lup-...","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C(Cl)Cl)C)C(=O)OCCCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","BJBFSHDIGUXKCJ-PTQFMRNHSA-N","145947993",NA,"PDBC33308","791856","Present"
-"Chembl4303442","","","","","","","","","","","","","","","","","","","","abamectin (usan)","","CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C","RRZXIRBKKLTSOM-ONDMGMIHSA-N","5702208",NA,"PDBC33309","758202","Present"
-"Chembl4303543","","","","","","","","","","","","","","","","","","","","NSC758671","","C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N.Cl","KZOWNALBTMILAP-QFSSJCHDSA-N","16667703",NA,"PDBC33310","758671","Present"
-"Chembl4303621","","","","","","","","","","","","","","","","","","","","doramectin (usan)","","CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C8CCCCC8)C)O","QLFZZSKTJWDQOS-CYHFSSRLSA-N","51371336",NA,"PDBC33311","760342","Present"
-"Chembl4435442","","","","","","","","","","","","","","","","","","","","NSC782694","","C1=C(SC(=C1)C2=CC(=CC(=C2)Cl)Cl)C3=CC=C(S3)C(=N)N","BFXORVXHVFYDPL-UHFFFAOYSA-N","155511340",NA,"PDBC33312","782694","Present"
-"Chembl4435461","","","","","","","","","","","","","","","","","","","","NSC782699","","COC1=CC(=CC(=C1)C2=CC=C(O2)C3=CC=C(O3)C(=N)N)OC","HRWLYASJKHMQMI-UHFFFAOYSA-N","155511423",NA,"PDBC33313","782699","Present"
-"Chembl4436746","","","","","","","","","","","","","","","","","","","","NSC771509","","COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl","JNRBIZYBWZXQKC-UHFFFAOYSA-N","155512053",NA,"PDBC33314","771509","Present"
-"Chembl4438334","","","","","","","","","","","","","","","","","","","","BRD-0705","","CCC1(C2=C(NC3=C1C(=O)CC(C3)(C)C)NN=C2)C4=CC=CC=C4","NCKLQXXBRWCYMA-FQEVSTJZSA-N","136980453",NA,"PDBC33315","825522","Present"
-"Chembl4439701","","","","","","","","","","","","","","","","","","","","NSC782013","","C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(S3)C(=N)N)Cl","KGUZLKOJPBQTJT-UHFFFAOYSA-N","155514021",NA,"PDBC33316","782013","Present"
-"Chembl4439837","","","","","","","","","","","","","","","","","","","","8-((2-(4-bromophenyl)-2-(hydroxyimino)ethyl)thio)-1,3-di...","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=NO)C3=CC=C(C=C3)Br","QMERXYUTIZNTAX-GRSHGNNSSA-N","155514128",NA,"PDBC33317","797081","Present"
-"Chembl4440063","","","","","","","","","","","","","","","","","","","","NSC790665","","CCN1CCN(CC1)C2=NC(=NC(=C2)C)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CS5","HBLPEBJZVGSCDI-UHFFFAOYSA-N","155514474",NA,"PDBC33318","790665","Present"
-"Chembl4440394","","","","","","","","","","","","","","","","","","","","NSC771513","","C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)O)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","LLSXAYJFXULHJA-UHFFFAOYSA-N","155514455",NA,"PDBC33319","771513","Present"
-"Chembl4440494","","","","","","","","","","","","","","","","","","","","NSC771790","","COC1=CC=C(C=C1)C2=C(C=NN2)C3=CC(=C(C(=C3)OC)OC)OC","XDEMMZMSHRWEAU-UHFFFAOYSA-N","91973276",NA,"PDBC33320","771790","Present"
-"Chembl4441140","","","","","","","","","","","","","","","","","","","","NSC790663","","CC1=CC(=NC(=N1)Cl)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CS4","WMERCPUSRQSZPJ-UHFFFAOYSA-N","155514954",NA,"PDBC33321","790663","Present"
-"Chembl4442068","","","","","","","","","","","","","","","","","","","","5-[5-(3,4,5-trimethoxyphenyl)-2-thienyl]thiophene-2-carb...","","COC1=CC(=CC(=C1OC)OC)C2=CC=C(S2)C3=CC=C(S3)C(=N)N","NINVANNCPHSLNN-UHFFFAOYSA-N","155515500",NA,"PDBC33322","800285","Present"
-"Chembl4442392","","","","","","","","","","","","","","","","","","","","CFI-402257","","CC1=C(C=CC(=C1)C2=C3N=C(C=C(N3N=C2)NCC4CC(C4)(C)O)OC5=CN=CC=C5)C(=O)NC6CC6","PMQUGSPFUBGJCZ-UHFFFAOYSA-N","118086034",NA,"PDBC33323","800888","Present"
-"Chembl4443352","","","","","","","","","","","","","","","","","","","","NSC772826","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC=CC=C5)Cl","BQRYUJJLGIWONJ-UHFFFAOYSA-N","155516307",NA,"PDBC33324","772826","Present"
-"Chembl4443378","","","","","","","","","","","","","","","","","","","","(S)-6-(2-(1-((2-amino-5-cyano-6-methylpyrimidin-4-yl)ami...","","CCC(C1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)CCCCCC(=O)NO)NC4=NC(=NC(=C4C#N)C)N","TZFMCSSETKBUSI-QFIPXVFZSA-N","142506192",NA,"PDBC33325","803461","Present"
-"Chembl4443481","","","","","","","","","","","","","","","","","","","","NSC790664","","CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CS4)Cl","CYELDXSBTOCDGM-UHFFFAOYSA-N","155516634",NA,"PDBC33326","790664","Present"
-"Chembl4444330","","","","","","","","","","","","","","","","","","","","NSC782693","","C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(S3)C(=N)N)F","IPKORXHMYGBJDM-UHFFFAOYSA-N","155517028",NA,"PDBC33327","782693","Present"
-"Chembl4445291","","","","","","","","","","","","","","","","","","","","NSC782753","","CC1=CC(=NC(=N1)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)F)N5CCCCC5","LEOIJJLGKRTKFQ-UHFFFAOYSA-N","139593257",NA,"PDBC33328","782753","Present"
-"Chembl4445444","","","","","","","","","","","","","","","","","","","","NSC772841","","C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","JMTSOPXJTPHDAR-UHFFFAOYSA-N","155517821",NA,"PDBC33329","772841","Present"
-"Chembl4445683","","","","","","","","","","","","","","","","","","","","NSC782696","","COC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(S3)C4=CC=C(S4)C(=N)N","CVCHYSLSZPZTHC-UHFFFAOYSA-N","155517911",NA,"PDBC33330","782696","Present"
-"Chembl4446497","","","","","","","","","","","","","","","","","","","","NSC792975","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C=CC4=CN=CC=C4","GFBAQSKESDVMPL-ULAVGVEHSA-N","155518624",NA,"PDBC33331","792975","Present"
-"Chembl4446606","","","","","","","","","","","","","","","","","","","","NSC797928","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C=C3)OCO5)N(C2=O)CCN)OC","PCDSYYLPUBLBSG-UHFFFAOYSA-N","146306863",NA,"PDBC33332","797928","Present"
-"Chembl4447379","","","","","","","","","","","","","","","","","","","","NSC771505","","COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","UKUPPJBUBXQQKY-UHFFFAOYSA-N","155519212",NA,"PDBC33333","771505","Present"
-"Chembl4448196","","","","","","","","","","","","","","","","","","","","NSC783105","","COC1=C(C=C(C=C1)C(=CC2=CC3=CC=CC=C3C=C2)C4=NNN=N4)OC","DJKTVGDPXIWTNZ-PDGQHHTCSA-N","155519495",NA,"PDBC33334","783105","Present"
-"Chembl4448992","","","","","","","","","","","","","","","","","","","","NSC772837","","C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)O)Cl)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl","UDUNFCKIHFTHDL-UHFFFAOYSA-N","155520366",NA,"PDBC33335","772837","Present"
-"Chembl4450400","","","","","","","","","","","","","","","","","","","","NSC798710","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC4=C3C(=O)C5=C(C4=O)C=CC(=C5)O","AYABONFBJMJOPT-UHFFFAOYSA-N","73052321",NA,"PDBC33336","798710","Present"
-"Chembl4450613","","","","","","","","","","","","","","","","","","","","(S)-4-(2-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)amino...","","CCC(C1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)CCC4=CC=C(C=C4)C(=O)NO)NC5=NC(=NC(=C5C#N)N)N","KYZLRDASIUNFBY-QHCPKHFHSA-N","142506102",NA,"PDBC33337","800372","Present"
-"Chembl4451538","","","","","","","","","","","","","","","","","","","","NSC781620","","CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)CC4CCSS4","JQVCQRHMQDKKRO-UHFFFAOYSA-N","135236603",NA,"PDBC33338","781620","Present"
-"Chembl4451791","","","","","","","","","","","","","","","","","","","","HYDRAZONE","","CC1=CC=C(C=C1)C(=O)N=NC2=C(NC3=C2C=C(C=C3)Cl)O","FHDWMXXPZLCKMY-UHFFFAOYSA-N","5158729",NA,"PDBC33339","730874","Present"
-"Chembl4452720","","","","","","","","","","","","","","","","","","","","NSC784144","","CC1=CC(=NC(=N1)N2CCN(CC2)C)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F","WGVPIZVHEUWDOT-UHFFFAOYSA-N","117827326",NA,"PDBC33340","784144","Present"
-"Chembl4455223","","","","","","","","","","","","","","","","","","","","NSC784141","","CCN1CCN(CC1)C2=NC(=NC(=C2)C)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F","LPERFROPJJTZFD-UHFFFAOYSA-N","155524562",NA,"PDBC33341","784141","Present"
-"Chembl4455749","","","","","","","","","","","","","","","","","","","","NSC771515","","C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)O)C4=CC=NC=C4)NC(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","LXZZATMMMCKNKD-UHFFFAOYSA-N","155524889",NA,"PDBC33342","771515","Present"
-"Chembl4455923","","","","","","","","","","","","","","","","","","","","(S)-4-(((2-(1-((2-amino-5-cyano-6-methylpyrimidin-4-yl)a...","","CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC(=C5C#N)C)N","OUFOTOLRWBQNQU-QHCPKHFHSA-N","146585662",NA,"PDBC33343","800373","Present"
-"Chembl4456757","","","","","","","","","","","","","","","","","","","","NSC772836","","C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)O)Cl)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","VTCGSJUQQLQZPS-UHFFFAOYSA-N","155525434",NA,"PDBC33344","772836","Present"
-"Chembl4457417","","","","","","","","","","","","","","","","","","","","NSC772819","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","WQCOFVRFCMISMS-UHFFFAOYSA-N","155525636",NA,"PDBC33345","772819","Present"
-"Chembl4457447","","","","","","","","","","","","","","","","","","","","NSC781623","","CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C#N)NC(=O)CC5CCSS5","QCVAULIYZATFDX-UHFFFAOYSA-N","135236903",NA,"PDBC33346","781623","Present"
-"Chembl4457608","","","","","","","","","","","","","","","","","","","","5'-hydroxy-5-nitro indirubin oxime","","C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)C3=C(C4=C(N3)C=CC(=C4)O)N=O","KDYHYRKDQJLNGS-UHFFFAOYSA-N","135873213",NA,"PDBC33347","777389","Present"
-"Chembl4457746","","","","","","","","","","","","","","","","","","","","NSC771516","","C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=C(C(=N4)C5=CC(=CC(=C5)Cl)O)C6=CC=NC=C6)C(F)(F)F","WYUBUECXXSJUPJ-UHFFFAOYSA-N","155525737",NA,"PDBC33348","771516","Present"
-"Chembl4458957","","","","","","","","","","","","","","","","","","","","2-N,3-N-bis(3-ethynylphenyl)-6-nitroquinoxaline-2,3-diamine","","C#CC1=CC(=CC=C1)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2NC4=CC=CC(=C4)C#C","WSBKMBVHKOZASO-UHFFFAOYSA-N","130230672",NA,"PDBC33349","789654","Present"
-"Chembl4459679","","","","","","","","","","","","","","","","","","","","(S)-4-(((2-(1-((2-amino-6-methylpyrimidin-4-yl)amino)pro...","","CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC(=C5)C)N","JWAGEFMQZLEIOL-QFIPXVFZSA-N","142506147",NA,"PDBC33350","800374","Present"
-"Chembl4460810","","","","","","","","","","","","","","","","","","","","NSC799895","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl)S(=O)(=O)N","IMNALXGNYWNIEP-XBXARRHUSA-N","155490427",NA,"PDBC33351","799895","Present"
-"Chembl4461848","","","","","","","","","","","","","","","","","","","","NSC766347","","C1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(S3)C(=N)N","WRBZAPWROILYFJ-UHFFFAOYSA-N","155528737",NA,"PDBC33352","766347","Present"
-"Chembl4462360","","","","","","","","","","","","","","","","","","","","NSC797419","","C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)F)O)Cl)Br","HTOYDDBUJRCJEF-UHFFFAOYSA-N","107613202",NA,"PDBC33353","797419","Present"
-"Chembl4463657","","","","","","","","","","","","","","","","","","","","NSC785028","","CC1=CC2=C(C=CC=C2N1C3=NC4=C(CCCC4)C(=N3)NCC5=CC=CC=C5)C(=O)NCC#C","UABOZOMXYKTCLE-UHFFFAOYSA-N","155530177",NA,"PDBC33354","785028","Present"
-"Chembl4463911","","","","","","","","","","","","","","","","","","","","NSC771514","","C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)O)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl","AUUOJSHGTBHBSQ-UHFFFAOYSA-N","155530305",NA,"PDBC33355","771514","Present"
-"Chembl4464812","","","","","","","","","","","","","","","","","","","","(S)-4-(((2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)amino)...","","CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC(=C5C#N)N)N","XBZDKDNYELJFTM-NRFANRHFSA-N","142506238",NA,"PDBC33356","800371","Present"
-"Chembl4466621","","","","","","","","","","","","","","","","","","","","5-[5-(4-fluorophenyl)-2-furyl]furan-2-carboxamidine","","C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(O3)C(=N)N)F","DKRXQEUXLHRVNS-UHFFFAOYSA-N","155532229",NA,"PDBC33357","800292","Present"
-"Chembl4467214","","","","","","","","","","","","","","","","","","","","NSC771512","","COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)Cl","ZDCREVIPQWVMFN-UHFFFAOYSA-N","155532196",NA,"PDBC33358","771512","Present"
-"Chembl4467927","","","","","","","","","","","","","","","","","","","","(S)-4-(((2-(1-((6-amino-5-chloropyrimidin-4-yl)amino)pro...","","CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC=NC(=C5Cl)N","MNHYUBALLWYCPX-FQEVSTJZSA-N","142506136",NA,"PDBC33359","800377","Present"
-"Chembl4468905","","","","","","","","","","","","","","","","","","","","NSC771511","","COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)Cl","DUJZSUKPBRZVOV-UHFFFAOYSA-N","155533377",NA,"PDBC33360","771511","Present"
-"Chembl4470500","","","","","","","","","","","","","","","","","","","","2,8(1H,5H)-Quinolinedione,7-amino-5-imino-","","C1=CC(=O)NC2=C1C(=N)C=C(C2=O)N","ANVZLQYKEGNGGD-UHFFFAOYSA-N","269624",NA,"PDBC33361","111041","Present"
-"Chembl4470645","","","","","","","","","","","","","","","","","","","","NSC784153","","CCN1CCN(CC1)C2=NC(=CC(=N2)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F)C","BRGQEGPKFOOFQK-UHFFFAOYSA-N","71737391",NA,"PDBC33362","784153","Present"
-"Chembl4470943","","","","","","","","","","","","","","","","","","","","[5-(2-Dimethylamino-ethylsulfanyl)- 3-isopropyl-1H-pyraz...","","CC(C)C1=C2C(=NN1)C(=NC(=N2)SCCN(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4","ATVDZMPSVWPAQR-UHFFFAOYSA-N","155534977",NA,"PDBC33363","787979","Present"
-"Chembl4471167","","","","","","","","","","","","","","","","","","","","NSC782695","","C1=CC=C2C=C(C=CC2=C1)C3=CC=C(S3)C4=CC=C(S4)C(=N)N","GIGDMLCTBVLVAO-UHFFFAOYSA-N","155534966",NA,"PDBC33364","782695","Present"
-"Chembl4472785","","","","","","","","","","","","","","","","","","","","NSC784142","","CC1=CC(=NC(=N1)N2CCCC2)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F","GMQQAZDHCFPROE-UHFFFAOYSA-N","71737249",NA,"PDBC33365","784142","Present"
-"Chembl4475803","","","","","","","","","","","","","","","","","","","","NSC782700","","C1=C(OC(=C1)C2=CC(=CC(=C2)Cl)Cl)C3=CC=C(O3)C(=N)N","XALRAUBRSQGDOZ-UHFFFAOYSA-N","155537959",NA,"PDBC33366","782700","Present"
-"Chembl4476309","","","","","","","","","","","","","","","","","","","","5'-(cyclopropylmethoxy)-6'-(3-(isoindolin-2-yl)propoxy)s...","","C1CCC2(C1)C3=CC(=C(C=C3N=C2N)OCCCN4CC5=CC=CC=C5C4)OCC6CC6","BHUFHRHQTFNIPQ-UHFFFAOYSA-N","137349493",NA,"PDBC33367","800740","Present"
-"Chembl4476574","","","","","","","","","","","","","","","","","","","","NSC798709","","CCCCNC(=O)OC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C4=C(S3)C(=O)C5=CC=CC=C5C4=O","OLJQKFKCUGKGIW-UHFFFAOYSA-N","155538151",NA,"PDBC33368","798709","Present"
-"Chembl4482913","","","","","","","","","","","","","","","","","","","","ethyl (R,E)-4-acrylamido-5-(3',5'-dichloro-[1,1'-bipheny...","","CCOC(=O)C=CC(CC1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl)NC(=O)C=C","JEEAKPALVYNEKH-XTXLJPNXSA-N","155539756",NA,"PDBC33369","784935","Present"
-"Chembl4516095","","","","","","","","","","","","","","","","","","","","(S)-4-(((2-(1-((9H-purin-6-yl)amino)propyl)-4-oxo-3-phen...","","CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC=NC6=C5NC=N6","OLUMCBYQNVOFLW-NRFANRHFSA-N","142506189",NA,"PDBC33370","795502","Present"
-"Chembl4516630","","","","","","","","","","","","","","","","","","","","NSC772844","","C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","GJFUXDMKXYAXER-UHFFFAOYSA-N","155540164",NA,"PDBC33371","772844","Present"
-"Chembl4518669","","","","","","","","","","","","","","","","","","","","NSC772828","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)Cl","VUHYEZQODXHMRZ-UHFFFAOYSA-N","155541538",NA,"PDBC33372","772828","Present"
-"Chembl4521096","","","","","","","","","","","","","","","","","","","","NSC795969","","CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F)C","DGOVBHLIYNOJOQ-UHFFFAOYSA-N","137701509",NA,"PDBC33373","795969","Present"
-"Chembl4521141","","","","","","","","","","","","","","","","","","","","NSC772436","","COC1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(S3)C(=N)N","JTDLPMKUDNXSPW-UHFFFAOYSA-N","155542367",NA,"PDBC33374","772436","Present"
-"Chembl4522978","","","","","","","","","","","","","","","","","","","","NSC772839","","C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)O)Cl)C4=CC=NC=C4)NC(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","RKAHEQMRSLRQMF-UHFFFAOYSA-N","155543795",NA,"PDBC33375","772839","Present"
-"Chembl4524079","","","","","","","","","","","","","","","","","","","","NSC674190///NSC674191","","[B]C(=O)NC(CC(C)C)C(=O)NC1C(C(=O)C2=C1C=CS2)O.CN(C)C","NIPHMBGWQCSHFU-UHFFFAOYSA-N","6338381",NA,"PDBC33376","674190///674191","Present"
-"Chembl4524080","","","","","","","","","","","","","","","","","","","","N,N-Dimethylmethanamine;[1-[[2-[(5-hydroxy-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoylboron","","[B]C(=O)NC(CC(C)C)C(=O)NCC(=O)NC1C(C(=O)C2=C1C=CS2)O.CN(C)C","YNHJHMYHGDBXBJ-UHFFFAOYSA-N","6331387",NA,"PDBC33377","674192","Present"
-"Chembl4524533","","","","","","","","","","","","","","","","","","","","NSC771793","","COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC(=C(C(=C3)OC)OC)OC","VYYMOJHULCKDCT-UHFFFAOYSA-N","91973278",NA,"PDBC33378","771793","Present"
-"Chembl4524953","","","","","","","","","","","","","","","","","","","","4-({3-{(3-ethynylphenyl)amino]-6-nitroquinoxalin-2-yl}am...","","C#CC1=CC(=CC=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])N=C2NC4=CC=C(C=C4)O","LMJBMGRUIBPLPR-UHFFFAOYSA-N","137190591",NA,"PDBC33379","789620","Present"
-"Chembl4525323","","","","","","","","","","","","","","","","","","","","1,7-Bis(2-methylpyridine)-4-(2-naphthylmethyl)-1,4,7-tri...","","C1=CC=C2C=C(C=CC2=C1)CN(CCNCC3=CC=CC=N3)CCNCC4=CC=CC=N4","JQZJBHLTWMYVSN-UHFFFAOYSA-N","60165592",NA,"PDBC33380","789878","Present"
-"Chembl4525336","","","","","","","","","","","","","","","","","","","","NSC784152","","CC1=CC(=NC(=N1)N2CCSCC2)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F","HLPDGZVVJXNEPC-UHFFFAOYSA-N","155543042",NA,"PDBC33381","784152","Present"
-"Chembl4526892","","","","","","","","","","","","","","","","","","","","NSC797353","","CCCNNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=CC=C2","MHZUZIALEUTHIU-JLHYYAGUSA-N","137700029",NA,"PDBC33382","797353","Present"
-"Chembl4527496","","","","","","","","","","","","","","","","","","","","NSC784143","","CC1=CC(=NC(=N1)N2CCOCC2)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F","DHJFVBSWOBZTTF-UHFFFAOYSA-N","117827421",NA,"PDBC33383","784143","Present"
-"Chembl4527811","","","","","","","","","","","","","","","","","","","","1-(2-Bicyclo[2.2.1]heptanyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea","","COC1=CC=CC(=C1O)C=NNC(=S)NC2CC3CCC2C3","ZHGCJBOHOQMSQH-RQZCQDPDSA-N","135452578",NA,"PDBC33384","328084","Present"
-"Chembl4529383","","","","","","","","","","","","","","","","","","","","NSC771508","","COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)N6CCOCC6)C(F)(F)F)Cl","POYNGYKPPZJPST-UHFFFAOYSA-N","155545239",NA,"PDBC33385","771508","Present"
-"Chembl4529472","","","","","","","","","","","","","","","","","","","","5-methoxy-3-{2-[5-(4-methoxyphenyl)-3-(naphthalen-2- yl)...","","COC1=CC=C(C=C1)C2CC(=NN2C3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)OC)O)C6=CC7=CC=CC=C7C=C6","JZFJTJAQQYXTQB-UHFFFAOYSA-N","155545598",NA,"PDBC33386","783155","Present"
-"Chembl4530505","","","","","","","","","","","","","","","","","","","","(2-(1H-indol-6-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphe...","","COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N2)C3=CC4=C(C=C3)C=CN4","ZWYWKMGQZNGTAQ-UHFFFAOYSA-N","67120426",NA,"PDBC33387","789793","Present"
-"Chembl4532384","","","","","","","","","","","","","","","","","","","","NSC783834","","COC1=CC2=C(C=C1)C3=C(CC2)NN=C3C4=CC(=C(C(=C4)OC)OC)OC","HGVPEUJPOPWOGE-UHFFFAOYSA-N","141477178",NA,"PDBC33388","783834","Present"
-"Chembl4534884","","","","","","","","","","","","","","","","","","","","NSC762891","","CC1=CC=C(C=C1)C2=NC(=NC(=N2)N3CCN(CC3)C4=CC=CC=N4)NCCOCCOCCN","HEOCSZWCFAYIOI-UHFFFAOYSA-N","23787254",NA,"PDBC33389","762891","Present"
-"Chembl4536096","","","","","","","","","","","","","","","","","","","","N(p-Chlorophenyl),N'{2-(4-phenylene)benzoxazole}thiourea","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl","ZSAQTQMZKKFNOU-UHFFFAOYSA-N","24202660",NA,"PDBC33390","725664","Present"
-"Chembl4540226","","","","","","","","","","","","","","","","","","","","[5-(2-Amino-ethylsulfanyl)-3-isopro pyl-1H-pyrazolo[4,3-...","","CC(C)C1=C2C(=NN1)C(=NC(=N2)SCCN)NCC3=CC=C(C=C3)C4=CC=CC=N4","PCQPAKMJSYGXRE-UHFFFAOYSA-N","138105941",NA,"PDBC33391","787980","Present"
-"Chembl4543206","","","","","","","","","","","","","","","","","","","","NSC785027","","CC1=CC2=C(C=CC=C2N1C3=NC4=C(CCCC4)C(=N3)NCC5=CC=CC=C5)C(=O)NCC#N","BJEDNWJTPINJID-UHFFFAOYSA-N","155510502",NA,"PDBC33392","785027","Present"
-"Chembl4545175","","","","","","","","","","","","","","","","","","","","NSC772825","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)N6CCOCC6)C(F)(F)F)Cl","AKWIVZMGYKDVPV-UHFFFAOYSA-N","155552761",NA,"PDBC33393","772825","Present"
-"Chembl4546265","","","","","","","","","","","","","","","","","","","","NSC782754","","CC1=CC(=NC(=N1)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)F)N5CCOCC5","JXVZLOCHZNFCQU-UHFFFAOYSA-N","155553473",NA,"PDBC33394","782754","Present"
-"Chembl4551900","","","","","","","","","","","","","","","","","","","","NSC772838","","C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5)C(F)(F)F","NZZNRKNBXGZLGH-UHFFFAOYSA-N","155555559",NA,"PDBC33395","772838","Present"
-"Chembl4553144","","","","","","","","","","","","","","","","","","","","NSC772827","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)Cl","VFOKXQSPITZZJM-UHFFFAOYSA-N","155510358",NA,"PDBC33396","772827","Present"
-"Chembl4553726","","","","","","","","","","","","","","","","","","","","NSC789520","","C1=CC2=C(C(=C1)OCCN=[N+]=[N-])C(=O)C3=C(C2=O)C=C(C=C3OCCN=[N+]=[N-])NC(=O)CCl","OGZTZYVYGUMFAU-UHFFFAOYSA-N","72943679",NA,"PDBC33397","789520","Present"
-"Chembl4555219","","","","","","","","","","","","","","","","","","","","7-bromo-3-{2-[5-(4-methoxyphenyl)-3-(naphthalen-2- yl)-4...","","COC1=CC=C(C=C1)C2CC(=NN2C3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)Cl)O)C6=CC7=CC=CC=C7C=C6","CSPZQNIRJZLJQO-UHFFFAOYSA-N","155556421",NA,"PDBC33398","783154","Present"
-"Chembl4558932","","","","","","","","","","","","","","","","","","","","NSC785025","","CC1=CC2=C(C=CC=C2N1C3=NC4=C(CCCC4)C(=N3)NCC5=CC=CC=C5)NC(=O)C#C","RKCSJJATGAWCBK-UHFFFAOYSA-N","155557471",NA,"PDBC33399","785025","Present"
-"Chembl4559825","","","","","","","","","","","","","","","","","","","","NSC772821","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl","XFDWYCZIKCNVGE-UHFFFAOYSA-N","155558046",NA,"PDBC33400","772821","Present"
-"Chembl4561055","","","","","","","","","","","","","","","","","","","","NSC772843","","C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=C(C(=N4)C5=CC(=C(C=C5)O)Cl)C6=CC=NC=C6)C(F)(F)F","GLMGJDNOYRMKOQ-UHFFFAOYSA-N","155558413",NA,"PDBC33401","772843","Present"
-"Chembl4564714","","","","","","","","","","","","","","","","","","","","NSC789519","","CCOC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OCC)NC(=O)CCl","XJEWVCSTXGINMO-UHFFFAOYSA-N","72943676",NA,"PDBC33402","789519","Present"
-"Chembl4567853","","","","","","","","","","","","","","","","","","","","NSC782755","","CC1=CC(=NC(=N1)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)F)N5CCN(CC5)C","OKLPIIUMXPUQOD-UHFFFAOYSA-N","155560363",NA,"PDBC33403","782755","Present"
-"Chembl4568688","","","","","","","","","","","","","","","","","","","","NSC784150","","CC1=CC(=NC(=N1)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)F)N5CCCC5","HMOGLGIRIMBZNW-UHFFFAOYSA-N","155560383",NA,"PDBC33404","784150","Present"
-"Chembl4570069","","","","","","","","","","","","","","","","","","","","NSC797929","","CNCCN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC","ISACNBGFGVEWCJ-UHFFFAOYSA-N","146306862",NA,"PDBC33405","797929","Present"
-"Chembl4570572","","","","","","","","","","","","","","","","","","","","NSC772842","","C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)O)Cl)C4=CC=NC=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl","KRMRDFLUGLENAH-UHFFFAOYSA-N","155562891",NA,"PDBC33406","772842","Present"
-"Chembl4576108","","","","","","","","","","","","","","","","","","","","NSC771510","","COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)Cl","NCIAIIVXYRPTDW-UHFFFAOYSA-N","155564359",NA,"PDBC33407","771510","Present"
-"Chembl4578757","","","","","","","","","","","","","","","","","","","","(S)-4-(((2-(1-((6-amino-5-cyanopyrimidin-4-yl)amino)prop...","","CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC=NC(=C5C#N)N","VJLNHSPZSRHJHG-QFIPXVFZSA-N","146585699",NA,"PDBC33408","800376","Present"
-"Chembl4580281","","","","","","","","","","","","","","","","","","","","N1-(1,3-benzothiazol-6-yl)-2-(4-(2-(1,3-dioxo-2,3-dihydr...","","C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(=O)NC5=CC6=C(C=C5)N=CS6","AYJXNNDSGPWNSJ-UHFFFAOYSA-N","155565464",NA,"PDBC33409","761409","Present"
-"Chembl4581324","","","","","","","","","","","","","","","","","","","","NSC782698","","COC1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(O3)C(=N)N","AENMSUHYKVCGSC-UHFFFAOYSA-N","155561363",NA,"PDBC33410","782698","Present"
-"Chembl4582520","","","","","","","","","","","","","","","","","","","","(E)-3-(3-((1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)meth...","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC3=CN(N=N3)CC4=CC=C(C=C4)F","HWQWYLLNZGNMJS-YRNVUSSQSA-N","155562274",NA,"PDBC33411","765798","Present"
-"Chembl4582669","","","","","","","","","","","","","","","","","","","","NSC799899","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl)S(=O)(=O)NC3=C(N=C(NC3=O)SC)N","ZCFQSDCBUSJKCY-WEVVVXLNSA-N","155558074",NA,"PDBC33412","799899","Present"
-"Chembl4586688","","","","","","","","","","","","","","","","","","","","NSC782014","","C1=CC=C2C(=C1)C=NC=C2C3=CC=C(S3)C4=CC=C(S4)C(=N)N","KISLJRQENADLHQ-UHFFFAOYSA-N","155567109",NA,"PDBC33413","782014","Present"
-"Chembl4587032","","","","","","","","","","","","","","","","","","","","NSC782701","","C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(O3)C(=N)N)Cl","MAQVMKFPSDUDPK-UHFFFAOYSA-N","155566509",NA,"PDBC33414","782701","Present"
-"Chembl4589373","","","","","","","","","","","","","","","","","","","","4-((2-(3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoro...","","CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC(=NC=C5)C(=O)NC)C(F)(F)F","SQQPRORGDVPLSI-UHFFFAOYSA-N","142736778",NA,"PDBC33415","781168","Present"
-"Chembl4593051","","","","","","","","","","","","","","","","","","","","NSC802117","","CCN1C2=NC=NC(=C2C(=N1)C#CC3=C(C=CC4=C3C=CN=C4NC5=CC=C(C=C5)Cl)C)N","AZFFXPMHTGBCGM-UHFFFAOYSA-N","138403232",NA,"PDBC33416","802117","Present"
-"Chembl4593398","","","","","","","","","","","","","","","","","","","","7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetrah...","","C1CCC2=C(C1)C3=C(C=CC4=C3C=NN4)N=C2C5=C(NN=C5)C(F)(F)F","VWBUFGGJMMUSBL-UHFFFAOYSA-N","142445421",NA,"PDBC33417","801415","Present"
-"Chembl4596381","","","","","","","","","","","","","","","","","","","","5-bromo-3-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]t...","","COC1=CC(=C(C=C1)OC)C2=CN3C(=N2)SC(=N3)C4=CNC5=C4C=C(C=C5)Br","UENNCOBVCSWKBK-UHFFFAOYSA-N","155518857",NA,"PDBC33418","801601","Present"
-"Chembl4597954","","","","","","","","","","","","","","","","","","","","(E)-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl...","","CCCNNC(=O)C=CC1=CC=C(C=C1)CNCCC2=C(NC3=CC=CC=C32)C","VGRNFHJXEIFRTK-OUKQBFOZSA-N","139558701",NA,"PDBC33419","797352","Present"
-"Chimaphilin","","","","","","","","","","","","","","","","","","","","Chimaphilin","","CC1=CC2=C(C=C1)C(=O)C=C(C2=O)C","YZACZIYTZCJVSN-UHFFFAOYSA-N","101211",NA,"PDBC33420","400245","Present"
-"Chimyl alcohol","","","","","","","","","","","","","","","","","","","","Chimyl alcohol","","CCCCCCCCCCCCCCCCOCC(CO)O","OOWQBDFWEXAXPB-UHFFFAOYSA-N","72733",NA,"PDBC33421","59269","Present"
-"Chinomethionat","","","","","","","","","","","","","","","","","","","","Quinomethionate","","CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3","FBQQHUGEACOBDN-UHFFFAOYSA-N","17109",NA,"PDBC33422","379587","Present"
-"Chitosanbiguanide","","","","","","","","","","","","","","","","","","","","Chitosanbiguanide","","","","",NA,"PDBC33423","372162","Present"
-"Chlorasquin","","","","","","","","","","","","","","","","","","","","Chlorasquin","","C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl","GWIBVUFMBFNYLT-UHFFFAOYSA-N","353016",NA,"PDBC33424","529861","Present"
-"Chlorfenazole","","","","","","","","","","","","","","","","","","","","Chlorfenazole","","C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)Cl","OILIYWFQRJOPAI-UHFFFAOYSA-N","77123",NA,"PDBC33425","128751","Present"
-"Chlorinated cyclohexane der 4","","","","","","","","","","","","","","","","","","","","CHLORINATED CYCLOHEXANE DER 4","","CC1(CC(C(CC1Cl)Cl)(C)Cl)C=CCl","UIRLQTKDEMKKKG-ONEGZZNKSA-N","5478047",NA,"PDBC33426","377686","Present"
-"Chloro(1-phenylbutane-1,3-dionato)(propionic acid ethyl ...","","","","","","","","","","","","","","","","","","","","Chloro(1-phenylbutane-1,3-dionato)(propionic acid ethyl ...","","","","",NA,"PDBC33427","639101","Present"
-"Chloro(N,N-diethyl-2-aminoethanolato)bis(1-phenylbutane-...","","","","","","","","","","","","","","","","","","","","Chloro(N,N-diethyl-2-aminoethanolato)bis(1-phenylbutane-...","","","","",NA,"PDBC33428","639611","Present"
-"Chloro(cyclohexanecarboxylato)bis(1-phenyl- 1,3-butanedi...","","","","","","","","","","","","","","","","","","","","Chloro(cyclohexanecarboxylato)bis(1-phenyl- 1,3-butanedi...","","","","",NA,"PDBC33429","638373","Present"
-"Chloro(phenyl-4-carboxy-1-carboxylato)bis(1-phenylbutane...","","","","","","","","","","","","","","","","","","","","Chloro(phenyl-4-carboxy-1-carboxylato)bis(1-phenylbutane...","","","","",NA,"PDBC33430","639595","Present"
-"Chloro-(3,5-dibromophenyl)mercury","","","","","","","","","","","","","","","","","","","","NSC43223","","C1=C(C=C(C=C1Br)[Hg]Cl)Br","QRPPWONIPRRITK-UHFFFAOYSA-M","412934",NA,"PDBC33431","43223","Present"
-"Chloro-(5-chlorothiophen-2-yl)mercury","","","","","","","","","","","","","","","","","","","","Chloro-(5-chlorothiophen-2-yl)mercury","","C1=C(SC(=C1)[Hg]Cl)Cl","ZZBFMMAHFSAXRH-UHFFFAOYSA-M","407288",NA,"PDBC33432","3840","Present"
-"Chloro-9-[[3-(diethylamino)propyl]amino]-2-methoxyacridine, dihydrate","","","","","","","","","","","","","","","","","","","","CHLORO-9-[[3-(DIETHYLAMINO)PROPYL]AMINO]-2-METHOXYACRIDI...","","CCN(CC)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl","JQXKUFYMRDWBEU-UHFFFAOYSA-N","24180741",NA,"PDBC33433","353","Present"
-"Chloro-[(1-nitrocyclohexyl)methyl]mercury","","","","","","","","","","","","","","","","","","","","Chloro-[(1-nitrocyclohexyl)methyl]mercury","","","","",NA,"PDBC33434","623650","Present"
-"Chloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]copper","","","","","","","","","","","","","","","","","","","","Chloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]copper","","","","",NA,"PDBC33435","625862","Present"
-"Chloro-methoxy-tetrangulol","","","","","","","","","","","","","","","","","","","","Chloro-methoxy-tetrangulol","","COC1=CC=CC2=C1C(=O)C3=C(C2=O)C4=C(C=C(C=C4C=C3)CCl)O","AQHNYGYYHAXGLC-UHFFFAOYSA-N","379540",NA,"PDBC33436","664215","Present"
-"Chloroacetyl-D-beta-hydroxynorleucine B","","","","","","","","","","","","","","","","","","","","Chloroacetyl-D-.beta.-hydroxynorleucine B","","CCCC(C(C(=O)O)NC(=O)CCl)O","FRPZIFQAOIMHIS-UHFFFAOYSA-N","266114",NA,"PDBC33437","270568","Present"
-"Chloroacrone","","","","","","","","","","","","","","","","","","","","Chloroacrone","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)Cl","NQUKUMYSMYTFRJ-UHFFFAOYSA-N","364453",NA,"PDBC33438","630714","Present"
-"Chlorobiocin","","","","","","","","","","","","","","","","","","","","clorobiocin","","CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CC(=C(C=C5)O)CC=C(C)C)O)Cl)O","FJAQNRBDVKIIKK-UHFFFAOYSA-N","54677920",NA,"PDBC33439","227186","Present"
-"Chlorobis(1-phenylbutane-1,3-dionato)(.alpha.-phenylacet...","","","","","","","","","","","","","","","","","","","","Chlorobis(1-phenylbutane-1,3-dionato)(.alpha.-phenylacet...","","","","",NA,"PDBC33440","639613","Present"
-"Chlorobis(1-phenylbutane-1,3-dionato)lanthane(III)","","","","","","","","","","","","","","","","","","","","Chlorobis(1-phenylbutane-1,3-dionato)lanthane(III)","","","","",NA,"PDBC33441","647039","Present"
-"Chlorobis(2-hydroxypyridinato-O-)bismuth(III)-dihydrochloride","","","","","","","","","","","","","","","","","","","","Chlorobis(2-hydroxypyridinato-O-)bismuth(III)- dihydroch...","","C1=CC=NC(=C1)O[Bi](OC2=CC=CC=N2)Cl.Cl","MTNQIKOKYMSETK-UHFFFAOYSA-K","16683565",NA,"PDBC33442","632812","Present"
-"Chlorobis(4-ethyltropolonato)bismuth(III)","","","","","","","","","","","","","","","","","","","","Chlorobis(4-ethyltropolonato)bismuth(III)","","","","",NA,"PDBC33443","634368","Present"
-"Chlorobis(4-isopropyltropolonato)bismuth(III)","","","","","","","","","","","","","","","","","","","","Chlorobis(4-isopropyltropolonato)bismuth(III)","","","","",NA,"PDBC33444","634372","Present"
-"Chlorobis(4-methyltropolonato)bismuth(III)","","","","","","","","","","","","","","","","","","","","Chlorobis(4-methyltropolonato)bismuth(III)","","","","",NA,"PDBC33445","634369","Present"
-"Chlorobis[1-phenylbutane-1,3-dionato](pyridine-2-olato) ...","","","","","","","","","","","","","","","","","","","","Chlorobis[1-phenylbutane-1,3-dionato](pyridine-2-olato) ...","","","","",NA,"PDBC33446","639612","Present"
-"Chlorobisoximatobismuth(III)-dihydrochloride","","","","","","","","","","","","","","","","","","","","Chlorobisoximatobismuth(III)-dihydrochloride","","","","",NA,"PDBC33447","631888","Present"
-"Chlorocopper(1+); N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide","","","","","","","","","","","","","","","","","","","","Chlorocopper(1+); N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide","","","","",NA,"PDBC33448","635450","Present"
-"Chlorocopper;3,17,20,34-tetramethoxy-10,27-dimethyl-6,14,23,31-tetrazaheptacyclo[30.2.2.22,5.215,18.219,22.18,12.125,29]tetratetraconta-1(34),2,4,6,8,10,12(42),13,15,17,19,21,23,25(37),26,28,30,32,35,","","","","","","","","","","","","","","","","","","","","Chlorocopper;3,17,20,34-tetramethoxy-10,27-dimethyl-6,14,23,31-tetrazaheptacyclo[30.2.2.22,5.215,18.219,22.18,12.125,29]tetratetraconta-1(34),2,4,6,8,10,12(42),13,15,17,19,21,23,25(37),26,28,30,32,35,","","","","",NA,"PDBC33449","650966","Present"
-"Chlorodestruxin","","","","","","","","","","","","","","","","","","","","Chlorodestruxin","","CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(CCl)O)C)C)C(C)C)C","WUTLOXOGFQPKLT-WKUMDAGRSA-N","370710",NA,"PDBC33450","644211","Present"
-"Chlorodiphenylacetic acid","","","","","","","","","","","","","","","","","","","","J-509008","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)Cl","UJRMHFPTLFNSTA-UHFFFAOYSA-N","81990",NA,"PDBC33451","400464","Present"
-"Chloroethyl nitrosourea","","","","","","","","","","","","","","","","","","","","CHLOROETHYL NITROSOUREA","","C1CC(N(C1)C(=O)N(CCCl)N=O)C(=O)N","ZOBZYPPNZPDEHJ-UHFFFAOYSA-N","384189",NA,"PDBC33452","673531","Present"
-"Chloroform/methanol extract from bulbs of parncratium ma...","","","","","","","","","","","","","","","","","","","","Chloroform/methanol extract from bulbs of parncratium ma...","","","","",NA,"PDBC33453","654490","Present"
-"Chloroform/methanol extract from pancratium maritimum L....","","","","","","","","","","","","","","","","","","","","NSC654491///NSC654492///NSC654493///NSC654494///NSC654495///NSC654496///NSC654497","","","","",NA,"PDBC33454","654491///654492///654493///654494///654495///654496///654497","Present"
-"Chlorolissoclimide","","","","","","","","","","","","","","","","","","","","chlorolissoclimide","","CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)Cl)C","LCBZIVZSFYGPBC-LWHFJPTFSA-N","127675",NA,"PDBC33455","787484","Present"
-"Chloromethyl (3R,6S)-3,6-dihydroxy-4-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Chloromethyl (3R,6S)-3,6-dihydroxy-4-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate","","COC1C2CC(CCC2C(CC1O)C(=O)OCCl)O","WQYCZHGVAMMJAK-DDJIDQKLSA-N","359227",NA,"PDBC33456","619936","Present"
-"Chloromethyl 5-methyl-2-furyl ketone","","","","","","","","","","","","","","","","","","","","Ethanone, 2-chloro-1-(5-methyl-2-furanyl)-","","CC1=CC=C(O1)C(=O)CCl","YEHJEWOPQMOFSP-UHFFFAOYSA-N","297319",NA,"PDBC33457","168430","Present"
-"Chloromethyl(diethyl)phosphine sulfide","","","","","","","","","","","","","","","","","","","","Chloromethyl(diethyl)phosphine sulfide","","CCP(=S)(CC)CCl","RMBNXAMYQBGCAQ-UHFFFAOYSA-N","383115",NA,"PDBC33458","671159","Present"
-"Chlorooxobis(2,4-pentanedione)vanadium(V)","","","","","","","","","","","","","","","","","","","","Chlorooxobis(2,4-pentanedione)vanadium(V)","","CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.O=[V].[Cl-]","OXRSFMHKDANLGL-UHFFFAOYSA-M","364991",NA,"PDBC33459","631893","Present"
-"Chloroplatinum(1+); 2-diphenylphosphanyl-N,N-dimethyl-ethanamine","","","","","","","","","","","","","","","","","","","","Chloroplatinum(1+); 2-diphenylphosphanyl-N,N-dimethyl-ethanamine","","","","",NA,"PDBC33460","685470","Present"
-"Chloroplatinum(1+);2-(4-methylpiperidin-1-yl)ethanethiolate;dihydrate","","","","","","","","","","","","","","","","","","","","Chloroplatinum(1+);2-(4-methylpiperidin-1-yl)ethanethiolate;dihydrate","","","","",NA,"PDBC33461","292596","Present"
-"Chloroquine sulfate","","","","","","","","","","","","","","","","","","","","Chloroquine sulfate","","CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OS(=O)(=O)O","OJPWHUOVKVKBQB-UHFFFAOYSA-N","91441",NA,"PDBC33462","292296","Present"
-"Chlorotetrangulol","","","","","","","","","","","","","","","","","","","","Chlorotetrangulol","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C4=C(C=C(C=C4C=C3)CCl)O","QCKRRTWPKGTEKP-UHFFFAOYSA-N","379538",NA,"PDBC33463","664213","Present"
-"Chlorotris(.alpha.-dihydrofucosterolato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Chlorotris(.alpha.-dihydrofucosterolato)titanium(IV)","","","","",NA,"PDBC33464","638382","Present"
-"Chlorotris(1,3-dionato)hafnium(IV)","","","","","","","","","","","","","","","","","","","","Chlorotris(1,3-diphenylpropane-1,3-dionato)hafnium(IV)","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Cl-].[Hf+4]","YXCSFTVRHCLGGK-UHFFFAOYSA-M","11979324",NA,"PDBC33465","635895","Present"
-"Chlorotris(1,3-dionato)zirconium(IV)","","","","","","","","","","","","","","","","","","","","Chlorotris(1,3-diphenylpropane-1,3-dionato)zirconium(IV)","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Cl-].[Zr+4]","ZKOAAXSNAZELHB-UHFFFAOYSA-M","11979327",NA,"PDBC33466","635899","Present"
-"Chlorotris(1-phenylbutane-1,3-dionato)hafnium(IV)","","","","","","","","","","","","","","","","","","","","Chlorotris(1-phenylbutane-1,3-dionato)hafnium(IV)","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Cl-].[Hf+4]","JIOTUAUXQOUMEV-UHFFFAOYSA-M","11979325",NA,"PDBC33467","635896","Present"
-"Chlorotris(3-phenylpentane-2,4-dionato)zirconium(IV)","","","","","","","","","","","","","","","","","","","","Chlorotris(3-phenylpentane-2,4-dionato)zirconium(IV)","","CC(=O)[C-](C1=CC=CC=C1)C(=O)C.CC(=O)[C-](C1=CC=CC=C1)C(=O)C.CC(=O)[C-](C1=CC=CC=C1)C(=O)C.[Cl-].[Zr+4]","SIKLOZBLFBHRPV-UHFFFAOYSA-M","367481",NA,"PDBC33468","637222","Present"
-"Chlorotris(chinoline-8-olato)titanium(IV)-trihydrochloride","","","","","","","","","","","","","","","","","","","","Chlorotris(chinoline-8-olato)titanium(IV)-trihydrochloride","","","","",NA,"PDBC33469","638736","Present"
-"Chlorotris(pentane-2,4-dionato)hafnium(IV)","","","","","","","","","","","","","","","","","","","","Chlorotris(pentane-2,4-dionato)hafnium(IV)","","CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Cl-].[Hf+4]","DDMMQFOIPFPYSE-UHFFFAOYSA-M","366535",NA,"PDBC33470","635144","Present"
-"Chlorotris(pyridine-3-olato)titanium(IV)-trishydrochloride","","","","","","","","","","","","","","","","","","","","Chlorotris(pyridine-3-olato)titanium(IV)-trishydrochloride","","","","",NA,"PDBC33471","638739","Present"
-"Chlorotris[(purine-6-olato)-9.beta.-D-ribofuranoside-5'-...","","","","","","","","","","","","","","","","","","","","Chlorotris[(purine-6-olato)-9.beta.-D-ribofuranoside-5'-...","","","","",NA,"PDBC33472","639097","Present"
-"Chlorotristropolonatosilicon(IV)-hydrate","","","","","","","","","","","","","","","","","","","","Chlorotristropolonatosilicon(IV)-hydrate","","","","",NA,"PDBC33473","632739","Present"
-"Chlorozorubicin hydrochloride","","","","","","","","","","","","","","","","","","","","Chlorozorubicin hydrochloride","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC=C(C=C6)Cl)C)O)N)O.Cl","TWPKQOAFJZUCMV-FYBMHLGZSA-N","54610692",NA,"PDBC33474","219977","Present"
-"Chloro{bis[2-(dimethylamino)benzyl]}gallium","","","","","","","","","","","","","","","","","","","","Chloro{bis[2-(dimethylamino)benzyl]}gallium","","CN(C)C1=CC=CC=C1C[Ga](CC2=CC=CC=C2N(C)C)Cl","JNYJTUPAZIWHIV-UHFFFAOYSA-M","378840",NA,"PDBC33475","662157","Present"
-"Chlorpenthixol dihydrochloride","","","","","","","","","","","","","","","","","","","","NSC169185///NSC78203","","C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl","BUVIOIVVDWLSMQ-RZFZGDDESA-N","54605973",NA,"PDBC33476","169185///78203","Present"
-"Chlorpropham","","","","","","","","","","","","","","","","","","","","cipc","","CC(C)OC(=O)NC1=CC(=CC=C1)Cl","CWJSHJJYOPWUGX-UHFFFAOYSA-N","2728",NA,"PDBC33477","29466","Present"
-"Chlorsulfaquinoxaline","","","","","","","","","","","","","","","","","","","","CHLOROQUINOXALINE SULFONAMIDE","","C1=CC2=NC(=CN=C2C(=C1)Cl)NS(=O)(=O)C3=CC=C(C=C3)N","CTSNHMQGVWXIEG-UHFFFAOYSA-N","72462",NA,"PDBC33478","339004","Present"
-"Cholane-3,24-diyl dimethanesulfonate","","","","","","","","","","","","","","","","","","","","(3R,8R,9S,10R,13S)-10,13-dimethyl-17-((R)-5-(methylsulfo...","","CC(CCCOS(=O)(=O)C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)C)C)C","BPEDHERWENDULB-MPCGXDHWSA-N","249374",NA,"PDBC33479","67657","Present"
-"Chonemorphine","","","","","","","","","","","","","","","","","","","","Chonemorphine","","CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N)C)C)N(C)C","MJGLREGOLPEPID-ISIQIBQJSA-N","54612857",NA,"PDBC33480","748909","Present"
-"Chrestfoline C","","","","","","","","","","","","","","","","","","","","Chrestfoline C","","CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)N(C4=CC=CC=C42)CC5=CC6=C(C(=C5)OC)NC7=CC=CC=C76","WZDZCOAWFXDCTD-UHFFFAOYSA-N","375157",NA,"PDBC33481","654291","Present"
-"Chrestifoline A","","","","","","","","","","","","","","","","","","","","Chrestifoline A","","CC1=CC(=C2C(=C1CC3=CC4=C(C(=C3)OC)NC5=CC=CC=C54)C6=CC=CC=C6N2)OC","DOOBXUMQHNVKJS-UHFFFAOYSA-N","375159",NA,"PDBC33482","654293","Present"
-"Chrome Brown EB","","","","","","","","","","","","","","","","","","","","chrome brown eb","","C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)N=NC3=CC(=C(C=C3N)N)N=NC4=C(C=CC(=C4)[N+](=O)[O-])O.[Na+]","KHXQQMBFMDTPSD-UHFFFAOYSA-N","135502249",NA,"PDBC33483","326197","Present"
-"Chrome Violet B","","","","","","","","","","","","","","","","","","","","chrome violet r","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)O)O)O.[Na+]","BEQIIZJSZSVJJK-UHFFFAOYSA-N","135421796",NA,"PDBC33484","12453","Present"
-"Chromeno[2,3-b]pyrazin-10-one","","","","","","","","","","","","","","","","","","","","10H-Chromeno[2,3-b]pyrazin-10-one","","C1=CC=C2C(=C1)C(=O)C3=NC=CN=C3O2","AQUFPAJSHNJKME-UHFFFAOYSA-N","363959",NA,"PDBC33485","629496","Present"
-"Chromeno[2,3-f]quinolin-7-one","","","","","","","","","","","","","","","","","","","","Chromeno[2,3-f]quinolin-7-one","","C1=CC=C2C(=C1)C(=O)C3=C(O2)C4=C(C=C3)N=CC=C4","MDEPZIXJRCRRHW-UHFFFAOYSA-N","385093",NA,"PDBC33486","676028","Present"
-"Chromium pentacarbonyl aniline","","","","","","","","","","","","","","","","","","","","Chromium pentacarbonyl aniline","","[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N.[Cr]","LWEURJMFDIKQDC-UHFFFAOYSA-N","24194810",NA,"PDBC33487","173767","Present"
-"Chromomycin A2","","","","","","","","","","","","","","","","","","","","Chromomycin A2","","CC1C(C(CC(O1)OC2C(CC3C=C4C=C(C(C(=O)C4=C(C3=C2O)O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C(C)C)(C)O)O","RQQLRUCQWPARKY-UHFFFAOYSA-N","421163",NA,"PDBC33488","131187","Present"
-"Chromone-3-carboxaldehyde","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-","","C1=CC=C2C(=C1)C(=O)C(=CO2)C=O","FSMYWBQIMDSGQP-UHFFFAOYSA-N","87112",NA,"PDBC33489","291317","Present"
-"Chromotrope 10B","","","","","","","","","","","","","","","","","","","","c.i. 16640","","C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)O)O.[Na+]","HVCFSRJYAKZQEA-UHFFFAOYSA-N","135421966",NA,"PDBC33490","45208","Present"
-"Chrysanthemic acid","","","","","","","","","","","","","","","","","","","","chrysanthemic acid","","CC(=CC1C(C1(C)C)C(=O)O)C","XLOPRKKSAJMMEW-UHFFFAOYSA-N","2743",NA,"PDBC33491","11779","Present"
-"Chrysene","","","","","","","","","","","","","","","","","","","","benz[a]phenanthrene","","C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43","WDECIBYCCFPHNR-UHFFFAOYSA-N","9171",NA,"PDBC33492","6175","Present"
-"Chrysene Phosphinic acid","","","","","","","","","","","","","","","","","","","","Chrysene Phosphinic acid","","C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)[P+](=O)O","AWEIVASQUMLFDC-UHFFFAOYSA-O","6330741",NA,"PDBC33493","617339","Present"
-"Chrysomycin A","","","","","","","","","","","","","","","","","","","","Albacarcin V","","CC1C(C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)(C)O)O","OMDANBMKOUVKAG-UHFFFAOYSA-N","122815",NA,"PDBC33494","354844","Present"
-"Cianidanol","","","","","","","","","","","","","","","","","","","","cianidol","","C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O","PFTAWBLQPZVEMU-DZGCQCFKSA-N","9064",NA,"PDBC33495","2819","Present"
-"Ciclobendazole","","","","","","","","","","","","","","","","","","","","ciclobendazole","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3CC3","OXLKOMYHDYVIDM-UHFFFAOYSA-N","35803",NA,"PDBC33496","335307","Present"
-"Ciclopirox olamine","","","","","","","","","","","","","","","","","","","","NSC336278///NSC756694","","CC1=CC(=O)N(C(=C1)C2CCCCC2)O.C(CO)N","MBRHNTMUYWQHMR-UHFFFAOYSA-N","38911",NA,"PDBC33497","336278///756694","Present"
-"Ciforadenant","","","","","","","","","","","","","","","","","","","","CPI-444","","CC1=CC=C(O1)C2=C3C(=NC(=N2)N)N(N=N3)CC4=NC(=CC=C4)COC5CCOC5","KURQKNMKCGYWRJ-HNNXBMFYSA-N","44537963",NA,"PDBC33498","801812","Present"
-"Cilengitide","","","","","","","","","","","","","","","","","","","cilengitide","Cilengitide","","CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N","AMLYAMJWYAIXIA-VWNVYAMZSA-N","176873",NA,"PDBC33499","774651","Present"
-"Cilloral","","","","","","","","","","","","","","","","","","","","cillin","","CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.[K+]","IYNDLOXRXUOGIU-UHFFFAOYSA-N","44134885",NA,"PDBC33500","131815","Present"
-"Cilnidipine","","","","","","","","","","","","","","","","","","","Cilnidipine","","","CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC","KJEBULYHNRNJTE-DHZHZOJOSA-N","5282138",NA,"PDBC33501","","Absent"
-"Cimiaceroside A","","","","","","","","","","","","","","","","","","","","Cimiaceroside A","","CC1C2C(CC3(C2(CCC45C3=CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)C)C)OC8(C1OC(C8O)(C)C)O","SUWXCVINJBVOAI-GAIXJHAKSA-N","398800",NA,"PDBC33502","708936","Present"
-"Cimicifugoside","","","","","","","","","","","","","","","","","","","","cimicifugoside","","CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(C(CC67CC68CCC(C(C8CC=C7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C","XUJMHSCMPCZWOV-XVGSJRLISA-N","399179",NA,"PDBC33503","709751","Present"
-"Cinerubin A hcl","","","","","","","","","","","","","","","","","","","","cinerubin a hcl","","CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O.Cl","ACPRCYNYDVWPJV-BLZBDMHNSA-N","24196924",NA,"PDBC33504","243022","Present"
-"Cinerubin A hydrochloride","","","","","","","","","","","","","","","","","","","","Cinerubin A hydrochloride","","CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O","STUJMJDONFVTGM-UHFFFAOYSA-N","428786",NA,"PDBC33505","267694","Present"
-"Cinerubin B hcl","","","","","","","","","","","","","","","","","","","","cinerubin b///cinerubin b hcl","","CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC7C(C(O6)C)OC8C(O7)CC(=O)C(O8)C)N(C)C)O","ZBDDFHXUDIPRSM-UHFFFAOYSA-N","409071",NA,"PDBC33506","18335///243023","Present"
-"Cinerubine A","","","","","","","","","","","","","","","","","","","","cinerubin a","","CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O","STUJMJDONFVTGM-CEPMKHARSA-N","122802",NA,"PDBC33507","18334","Present"
-"Cinnamodial B812927K060","","","","","","","","","","","","","","","","","","","","CINNAMODIAL B812927K060","","CC(=O)OC1C=C(C(C2(C1C(CCC2)(C)C)C)(C=O)O)C=O","UKLMEFSRPRDOLD-UHFFFAOYSA-N","321973",NA,"PDBC33508","277293","Present"
-"Cinnamycin","","","","","","","","","","","","","","","","","","","","Cinnamycin","","","","",NA,"PDBC33509","71936","Present"
-"Cinnamylideneacetophenone","","","","","","","","","","","","","","","","","","","","NSC406761","","C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CC=C2","QONKLJMPKWQQFG-HPIZBCMHSA-N","1549519",NA,"PDBC33510","406761","Present"
-"Cinnolin-5-amine","","","","","","","","","","","","","","","","","","","","Cinnolin-5-amine","","C1=CC(=C2C=CN=NC2=C1)N","DRQWPSJVDHBHKF-UHFFFAOYSA-N","387103",NA,"PDBC33511","680494","Present"
-"Cinnoline, 2,3-dihydro-2-[(2-methylphenyl)methyl]-","","","","","","","","","","","","","","","","","","","","Cinnoline, 2,3-dihydro-2-[(2-methylphenyl)methyl]-","","CC1=CC=CC=C1CN2CC=C3C=CC=CC3=N2","LBHPAJAFPKKCPZ-UHFFFAOYSA-N","368584",NA,"PDBC33512","639680","Present"
-"Cinnoline, 4-nitro-, 1-oxide","","","","","","","","","","","","","","","","","","","","Cinnoline, 4-nitro-, 1-oxide","","C1=CC=C2C(=C1)C(=CN=[N+]2[O-])[N+](=O)[O-]","HEOBQABYEWTBLN-UHFFFAOYSA-N","100397",NA,"PDBC33513","294846","Present"
-"Cintirorgon","","","","","","","","","","","","","","","","","","","","LYC-55716","","CC(C)(CC1CN(C2=C(O1)C=CC(=C2)C3=CC(=CC(=C3)F)OC(F)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O","GULSIMHVQYBADX-FQEVSTJZSA-N","124126348",NA,"PDBC33514","803601","Present"
-"Ciprofloxacin hydrochloride","","","","","","","","","","","","","","","","","","","","Ciprofloxacin hydrochloride","","C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.Cl","DIOIOSKKIYDRIQ-UHFFFAOYSA-N","62999",NA,"PDBC33515","620634","Present"
-"Cirensenoxide G","","","","","","","","","","","","","","","","","","","","cirensenoxide g","","CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(C4C6CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)O)C)C(=C)C)O)O)O)CO)O)O)O","VNTZDFZAGFBUPV-LLIXODNKSA-N","399208",NA,"PDBC33516","709882","Present"
-"Cirolerosus","","","","","","","","","","","","","","","","","","","","Cirolerosus","","","","",NA,"PDBC33517","77950","Present"
-"Cis-dibromocarbonylacetonitrile-bis-(triphenylphosphine)...","","","","","","","","","","","","","","","","","","","","Cis-dibromocarbonylacetonitrile-bis-(triphenylphosphine)...","","","","",NA,"PDBC33518","634761","Present"
-"Cisaprida","","","","","","","","","","","","","","","","","","","","Cisapride;HY-14149;CS-1762","","COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F","DCSUBABJRXZOMT-IRLDBZIGSA-N","6917698",NA,"PDBC33519","785572","Present"
-"Citenamide","","","","","","","","","","","","","","","","","","","","cytenamide","","C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)C(=O)N","HXQAPLNYYFQSFU-UHFFFAOYSA-N","25255",NA,"PDBC33520","337777","Present"
-"Citratohydratogallium(III)","","","","","","","","","","","","","","","","","","","","Citratohydratogallium(III)","","","","",NA,"PDBC33521","632818","Present"
-"Citreopyrone B","","","","","","","","","","","","","","","","","","","","Citreopyrone B","","CC1=C(OC(=O)C=C1OC)C=CC=O","AIRRMJKMFDZHMS-ONEGZZNKSA-N","5387141",NA,"PDBC33522","621097","Present"
-"Citreoviridine","","","","","","","","","","","","","","","","","","","","Citreoviridin","","CC1C(C(C(O1)(C)C=C(C)C=CC=CC=CC2=C(C(=CC(=O)O2)OC)C)O)(C)O","JLSVDPQAIKFBTO-QQMWJGNCSA-N","5458344",NA,"PDBC33523","159630","Present"
-"Citrinin","","","","","","","","","","","","","","","","","","","","citrinin","","CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C","CBGDIJWINPWWJW-IYSWYEEDSA-N","54680783",NA,"PDBC33524","186","Present"
-"ClC1=CC=C(C=C1)C1=CC(=C(N1)C(=O)OCC)C=1C=NC=CC=1","","","","","","","","","","","","","","","","","","","","ethyl 5-(4-chlorophenyl)-3-(pyridin-3-yl)-1H-pyrrole-2-c...","","CCOC(=O)C1=C(C=C(N1)C2=CC=C(C=C2)Cl)C3=CN=CC=C3","SWQCAHOXTIWWTN-UHFFFAOYSA-N","126601193",NA,"PDBC33525","789852","Present"
-"ClC1=CC=C(C=C1)S(=O)(=O)NC1=C(C(=CC(=C1)\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC)OC","","","","","","","","","","","","","","","","","","","","(Z)-4-chloro-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)...","","COC1=CC(=CC(=C1OC)NS(=O)(=O)C2=CC=C(C=C2)Cl)C=CC3=CC(=C(C(=C3)OC)OC)OC","WEKXBYKWEYBEQO-SREVYHEPSA-N","132113966",NA,"PDBC33526","775011","Present"
-"ClC1=CC=C(C=C1)S(=O)(=O)NC1=C(C(=CC=C1\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC)O","","","","","","","","","","","","","","","","","","","","(Z)-4-chloro-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxys...","","COC1=C(C(=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NS(=O)(=O)C3=CC=C(C=C3)Cl)O","XGFNIUPKCBCKSP-WAYWQWQTSA-N","121315022",NA,"PDBC33527","775015","Present"
-"ClC=1C(=C(NC2=NC=NC3=CC(=C(C=C23)NC(\C=C\CN(C)C)=O)OCCOC(F)F)C=CC=1)F","","","","","","","","","","","","","","","","","","","","(E)-N-[4-(3-chloro-2-fluoro-anilino)-7-[2-(difluorometho...","","CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OCCOC(F)F","RPPREQFUNVYPGV-QPJJXVBHSA-N","130205628",NA,"PDBC33528","785966","Present"
-"ClC=1C=C(C=CC=1)S(=O)(=O)NC1=C(C(=CC(=C1)\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC)OC","","","","","","","","","","","","","","","","","","","","(Z)-3-chloro-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)...","","COC1=CC(=CC(=C1OC)NS(=O)(=O)C2=CC(=CC=C2)Cl)C=CC3=CC(=C(C(=C3)OC)OC)OC","YPAYSLGFXJEHDM-KTKRTIGZSA-N","132114389",NA,"PDBC33529","780185","Present"
-"Cladosporol B","","","","","","","","","","","","","","","","","","","","Alternol","","C1CC(=O)C2=C(C1C3=C4C(=O)C5C(O5)C(=O)C4=C(C=C3)O)C=CC=C2O","MQBNXACTQPQCQX-JMBWCGFRSA-N","11233399",NA,"PDBC33530","783200","Present"
-"Claenone","","","","","","","","","","","","","","","","","","","","Claenone","","CC1=CCCC2(C(O2)CC3(CC(=O)C(=C(C)C)C3CC1)C)C","WIQJIYQQVYRKPQ-KAGDPKRISA-N","5459116",NA,"PDBC33531","624589","Present"
-"Clanfenur","","","","","","","","","","","","","","","","","","","","Clanfenur (INN)","","CN(C)C1=C(C(=CC=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl","SRLPZQAEBMZCIJ-UHFFFAOYSA-N","68684",NA,"PDBC33532","603108","Present"
-"Clausenamine A","","","","","","","","","","","","","","","","","","","","Clausenamine A","","CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C5=C(N4)C(=CC(=C5)OC)OC)O)O)NC6=C2C=C(C=C6OC)OC","WJTUKKSXDIWQAM-UHFFFAOYSA-N","6712794",NA,"PDBC33533","713164","Present"
-"Clefma","","","","","","","","","","","","","","","","","","","","4[3,5-Bis(2-chlorobenzylidene)-4-oxo-piperdin-1-yl-4-oxo...","","C1C(=CC2=CC=CC=C2Cl)C(=O)C(=CC3=CC=CC=C3Cl)CN1C(=O)C=CC(=O)O","ABOUDPJRQGWQNW-GGDLZHBGSA-N","46927962",NA,"PDBC33534","756046","Present"
-"Clemastine fumarate","","","","","","","","","","","","","","","","","","","","clemastine (usan)","","CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C.C(=CC(=O)O)C(=O)O","PMGQWSIVQFOFOQ-YKVZVUFRSA-N","5281069",NA,"PDBC33535","756685","Present"
-"Cleromyrine I","","","","","","","","","","","","","","","","","","","","Cleromyrine I","","CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N2CCCC2C(=O)N1)C)CC3=CC=CC=C3)C(C)C","PAPASISLWQPNNI-UHFFFAOYSA-N","362348",NA,"PDBC33536","626092","Present"
-"Clitoriacetal 11-O-beta-D-glucopyranoside","","","","","","","","","","","","","","","","","","","","Clitoriacetal 11-O-.beta.-D-glucopyranoside","","COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4(C(O2)C(OC5=CC(=C(C=C54)OC)OC)O)O","ZPWZKJPCEQUSQD-FTPMTKDLSA-N","396726",NA,"PDBC33537","703353","Present"
-"Clomesone","","","","","","","","","","","","","","","","","","","","CLOMESONE","","CS(=O)(=O)CS(=O)(=O)OCCCl","SEHSPJCWCBQHPF-UHFFFAOYSA-N","100651",NA,"PDBC33538","338947","Present"
-"Clomifene citrate","","","","","","","","","","","","","","","","","","","","NSC35770///NSC756698","","CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","PYTMYKVIJXPNBD-OQKDUQJOSA-N","3033832",NA,"PDBC33539","35770///756698","Present"
-"Clomipramine hydrochloride","","","","","","","","","","","","","","","","","","","","Anafranil","","CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.Cl","WIMWMKZEIBHDTH-UHFFFAOYSA-N","68539",NA,"PDBC33540","759323","Present"
-"Clonixin","","","","","","","","","","","","","","","","","","","","deltar","","CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O","CLOMYZFHNHFSIQ-UHFFFAOYSA-N","28718",NA,"PDBC33541","335505","Present"
-"Clonostachydiol","","","","","","","","","","","","","","","","","","","","Clonostachydiol","","CC1CCC(C=CC(=O)OC(C(C=CC(=O)O1)O)C)O","SSVNIYICRYPPEB-KQQUZDAGSA-N","5468288",NA,"PDBC33542","667656","Present"
-"Clopimozide","","","","","","","","","","","","","","","","","","","","clopimozide(usan)","","C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F","JCZYXTVBWHAWLL-UHFFFAOYSA-N","65449",NA,"PDBC33543","335305","Present"
-"Closantel","","","","","","","","","","","","","","","","","","","","NSC335306///NSC759819","","CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)Cl)C(C#N)C3=CC=C(C=C3)Cl","JMPFSEBWVLAJKM-UHFFFAOYSA-N","42574",NA,"PDBC33544","335306///759819","Present"
-"Clospirazine hydrochloride","","","","","","","","","","","","","","","","","","","","spiclomazine","","C1CN(CCC12NC(=O)CS2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl","JRSBQVOEILNXGS-UHFFFAOYSA-N","122820",NA,"PDBC33545","290956","Present"
-"Cloth Red 2R","","","","","","","","","","","","","","","","","","","","c.i. 27190","","C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O","QHXMGBJYVJFXEU-UHFFFAOYSA-N","80368",NA,"PDBC33546","58049","Present"
-"Cloth Scarlet R","","","","","","","","","","","","","","","","","","","","cloth scarlet r","","CC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)C)N=NC3=C(C=CC4=CC=CC=C43)O.[Na+]","DMFNHGZZDBFTOC-UHFFFAOYSA-N","135422261",NA,"PDBC33547","66221","Present"
-"Clovane,9alpha-diol","","","","","","","","","","","","","","","","","","","","Clovane, 2.beta.,9.alpha.-diol","","CC1(C(CC23C1C(CC(C2)(CCC3)C)O)O)C","XUAASKRYNOBPBG-UIWQZIKGSA-N","382543",NA,"PDBC33548","670153","Present"
-"Clovenic acid","","","","","","","","","","","","","","","","","","","","Clovenic acid","","CC12CCCC(C1)(C(CC2)C(C)(C)C(=O)O)C(=O)O","BFBKEWXZMZQHBN-ISAOAKOHSA-N","382548",NA,"PDBC33549","670158","Present"
-"Cme-carbodiimide","","","","","","","","","","","","","","","","","","","","CHM (VAN)","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)CCN=C=NC2CCCCC2","GBCAVSYHPPARHX-UHFFFAOYSA-M","17220",NA,"PDBC33550","231596","Present"
-"Coaracine (racemic)","","","","","","","","","","","","","","","","","","","","NSC323229///NSC323230","","C1CN(C(=O)NCC1O)C2C(C(C(O2)CO)O)O","QHDXLNWQRHMXSE-UHFFFAOYSA-N","331290",NA,"PDBC33551","323229///323230","Present"
-"Cobalt(2+);2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","","","","","","","","","","","","","","","","","","","Cobalt(2+);2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Co+2]","PFEVDZPNJOJMSN-CNHJQGRJSA-L","9569779",NA,"PDBC33552","617585","Present"
-"Cobalt(2+);2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","","","","","","","","","","","","","","","","","","","Cobalt(2+);2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Co+2]","MXAPWQBGUKNBCH-CNHJQGRJSA-L","9569772",NA,"PDBC33553","617577","Present"
-"Cobalt(2+);2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate","","","","","","","","","","","","","","","","","","","","Cobalt(2+);2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate","","","","",NA,"PDBC33554","626854","Present"
-"Cobalt(3+);ethane-1,2-diamine;diformate;perchlorate","","","","","","","","","","","","","","","","","","","","cis-bis(ethylendiamine)diformiatocobalt(III)perchlorate","","C(CN)N.C(CN)N.C(=O)[O-].C(=O)[O-].[O-]Cl(=O)(=O)=O.[Co+3]","TWUQTQYBDQFOMT-UHFFFAOYSA-K","24202139",NA,"PDBC33555","630628","Present"
-"Cobalt, bis[3-azabicyclo[3.2.2]nonane-3-carbothioic acid...","","","","","","","","","","","","","","","","","","","","Cobalt, bis[3-azabicyclo[3.2.2]nonane-3-carbothioic acid...","","","","",NA,"PDBC33556","382337","Present"
-"Cobaltous cyclopentanecarboxylic acid hexafluorophosphate","","","","","","","","","","","","","","","","","","","","Cobaltous cyclopentanecarboxylic acid hexafluorophosphate","","","","",NA,"PDBC33557","608978","Present"
-"Cobimetinib (R-enantiomer)","","","","","","","","","","","","","","","","","","","","NSC768069","","C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O","BSMCAPRUBJMWDF-QGZVFWFLSA-N","16222097",NA,"PDBC33558","768069","Present"
-"Coc1=C(C=C(C=C1OC)\C=C/C1=CC(=C(C(=C1)OC)OC)OC)NS(=O)(=O)C1=CC(=C(C=C1)OC)OC","","","","","","","","","","","","","","","","","","","","(Z)-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenyl)-3...","","COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC","DRSCWRFBPYSRKG-HJWRWDBZSA-N","121304378",NA,"PDBC33559","780186","Present"
-"Coc1=C(C=C(C=C1OC)\C=C/C1=CC(=C(C(=C1)OC)OC)OC)NS(=O)(=O)C1=CC=C(C=C1)OC","","","","","","","","","","","","","","","","","","","","(Z)-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenyl)-4...","","COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC","SPTMNTPNCDTSAW-FPLPWBNLSA-N","121304384",NA,"PDBC33560","775010","Present"
-"Coc1=C(OC)C(OC)=CC(C2C3=CC=4ococ=4C=C3N(cco)C3=C2C(OC3)=O)=C1","","","","","","","","","","","","","","","","","","","","2-(2-Hydroxyethyl)-8-(3,4,5-trimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one","","COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCO4","LRYQORFWXVCXMN-UHFFFAOYSA-N","15516367",NA,"PDBC33561","750210","Present"
-"Coc1=CC2=C(NC(=N2)C2=CC(=NN2)C2=CC(=C(C(=C2)OC)OC)OC)C=C1","","","","","","","","","","","","","","","","","","","","5-methoxy-2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)...","","COC1=CC2=C(C=C1)N=C(N2)C3=CC(=NN3)C4=CC(=C(C(=C4)OC)OC)OC","HBYXCWCMMBVTOH-UHFFFAOYSA-N","136663904",NA,"PDBC33562","768412","Present"
-"Coc1=CC=C(C=C1)S(=O)(=O)NC1=C(C=CC(=C1)\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC","","","","","","","","","","","","","","","","","","","","(Z)-4-methoxy-N-(2-methoxy-5-(3,4,5-trimethoxystyryl)phe...","","COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC","ULDCRGDESYCVLB-SREVYHEPSA-N","121304389",NA,"PDBC33563","774998","Present"
-"Coc=1C=C2C=C(C(NC2=CC=1)=O)\C=C\C(=O)C1=C(C=CC=C1)OC","","","","","","","","","","","","","","","","","","","","(E)-6 Methoxy-3-(3-(2-Methoxyphenyl)-3-oxoprop-1-enyl)qu...","","COC1=CC2=C(C=C1)NC(=O)C(=C2)C=CC(=O)C3=CC=CC=C3OC","LAYYSAODOKVYEU-JXMROGBWSA-N","135339964",NA,"PDBC33564","793099","Present"
-"Cocculus","","","","","","","","","","","","","","","","","","","","cocculus","","CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O","VJKUPQSHOVKBCO-RYVYVXLVSA-N","5458938",NA,"PDBC33565","403139","Present"
-"Cochineal Red A","","","","","","","","","","","","","","","","","","","","coccine","","C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","JAOZKJMVYIWLKU-UHFFFAOYSA-N","135436498",NA,"PDBC33566","4301","Present"
-"Cochliobolin A","","","","","","","","","","","","","","","","","","","","ophiobolin","","CC1CC(OC12CCC3(C2CC=C(C4C(C3)C(CC4=O)(C)O)C=O)C)C=C(C)C","MWYYLZRWWNBROW-FMQZQXMHSA-N","5352017",NA,"PDBC33567","114340","Present"
-"Coenzyme A, tetrasodium salt","","","","","","","","","","","","","","","","","","","","Coenzyme A, S-(3-methylene-1-oxododecyl)-, tetrasodium salt","","CCCCCCCCCC(=C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O.[Na+]","PHDJQBRZHOPJDD-UHFFFAOYSA-N","54608730",NA,"PDBC33568","630995","Present"
-"Coenzyme Q10","","","","","","","","","","","","","","","","","","","","Coenzyme Q10","","CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","ACTIUHUUMQJHFO-UPTCCGCDSA-N","5281915",NA,"PDBC33569","140865","Present"
-"Coformycin","","","","","","","","","","","","","","","","","","","","Coformycin","","C1C(C2=C(NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)O","YOOVTUPUBVHMPG-JOAPDPHISA-N","44326589",NA,"PDBC33570","277817","Present"
-"Colchiceinamid","","","","","","","","","","","","","","","","","","","","Colchicamid","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N)OC)OC)OC","JWDFWIZNGSOUGC-INIZCTEOSA-N","18397",NA,"PDBC33571","403144","Present"
-"Colchiceine","","","","","","","","","","","","","","","","","","","","n-acetyl trimethylcolchicinic acid///colchiceine","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC","PRGILOMAMBLWNG-HNNXBMFYSA-N","234105",NA,"PDBC33572","123396///33411","Present"
-"Colchicide","","","","","","","","","","","","","","","","","","","","colchicide.hcl","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=CC(=O)C=C13)OC)OC)OC","NXPCQFIROMOQEV-UHFFFAOYSA-N","120712",NA,"PDBC33573","352277","Present"
-"Colchicine analog","","","","","","","","","","","","","","","","","","","","NSC642309","","CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC(=C(C(=C4)O)O)O","YYOVLMOKLNEIBB-UHFFFAOYSA-N","369942",NA,"PDBC33574","642309","Present"
-"Colchicine deriv","","","","","","","","","","","","","","","","","","","","NSC320301","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C(F)(F)F)OC)OC","LNELBQZKXVASLW-AWEZNQCLSA-N","330851",NA,"PDBC33575","320301","Present"
-"Colchicine, 10-demethoxy-10-(diethylamino)-","","","","","","","","","","","","","","","","","","","","Benzo[a]heptalen-9(5H)-one, 7-acetamido-10-(diethylamino...","","CCN(CC)C1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C","VBJDWXFOMWSFLB-IBGZPJMESA-N","23398",NA,"PDBC33576","33690","Present"
-"Colchicine, 17-chloro-","","","","","","","","","","","","","","","","","","","","chlorocolchicine","","COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCl","XBFWCWRZDWNRIE-HNNXBMFYSA-N","33463",NA,"PDBC33577","164850","Present"
-"Colchinol, N-acetyliodo-O-methyl-","","","","","","","","","","","","","","","","","","","","colchinol, n-acetyliodo-o-methyl-","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC(=C(C=C13)OC)I)OC)OC)OC","DNAHKKQXPQIYHR-INIZCTEOSA-N","234104",NA,"PDBC33578","33409","Present"
-"Coleon U","","","","","","","","","","","","","","","","","","","","Coleon U","","CC(C)C1=C(C2=C(C(=C1O)O)C3(CCCC(C3=C(C2=O)O)(C)C)C)O","XPYRMWZAUHBOPE-HXUWFJFHSA-N","333723",NA,"PDBC33579","337582","Present"
-"Coleonol","","","","","","","","","","","","","","","","","","","","Coleonol","","CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O","OHCQJHSOBUTRHG-WWVGWVLGSA-N","337799",NA,"PDBC33580","357088","Present"
-"Colladonin","","","","","","","","","","","","","","","","","","","","Colladonin","","CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C","FCWYNTDTQPCVPG-SMVUYSJCSA-N","375430",NA,"PDBC33581","655152","Present"
-"Collatolic acid-A''","","","","","","","","","","","","","","","","","","","","Collatolic acid-A''","","CCCCCC(=O)CC1=C2C(=CC(=C1)OC)OC3=C(C=C(C(=C3CC(=O)CCCCC)C(=O)O)O)OC2=O","QLTNFHFQLMFRBN-UHFFFAOYSA-N","10650",NA,"PDBC33582","646010","Present"
-"Collinin","","","","","","","","","","","","","","","","","","","","COLLININ","","CC(=CCCC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)C)C","MJWGWXGEAHRWOV-NTCAYCPXSA-N","5316012",NA,"PDBC33583","31870","Present"
-"Combretastatin A-1","","","","","","","","","","","","","","","","","","","","b8173373k297","","COC1=C(C(=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)O)O","YUSYSJSHVJULID-WAYWQWQTSA-N","5458993",NA,"PDBC33584","600032","Present"
-"Combretastatin A-4, sodium salt","","","","","","","","","","","","","","","","","","","","Combretastatin A-4, sodium salt","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)O.[Na+]","ANOZOMHKUHDDDT-YSMBQZINSA-N","54608929",NA,"PDBC33585","639694","Present"
-"Combretastatin A4-analogue","","","","","","","","","","","","","","","","","","","","Combretastatin A4-analogue","","COC1=C(C=C(C=C1)C2=C(C(=O)OC2)C3=CC(=C(C(=C3)OC)OC)OC)OC","XPOAHAZAFIXEFR-UHFFFAOYSA-N","11069089",NA,"PDBC33586","726217","Present"
-"Combretastatin D-1","","","","","","","","","","","","","","","","","","","","combretum caffrum","","C1CC(=O)OCC2C(O2)C3=CC=C(C=C3)OC4=C(C=CC1=C4)O","COGWIGJGNQCZPK-AEFFLSMTSA-N","353314",NA,"PDBC33587","601289","Present"
-"Compactin","","","","","","","","","","","","","","","","","","","","compactin","","CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O","AJLFOPYRIVGYMJ-UHFFFAOYSA-N","2854",NA,"PDBC33588","281245","Present"
-"Compound A from Parsonsia straminea","","","","","","","","","","","","","","","","","","","","Compound A from Parsonsia straminea","","","","",NA,"PDBC33589","142205","Present"
-"Compound B from Parsonsia straminea","","","","","","","","","","","","","","","","","","","","Compound B from Parsonsia straminea","","","","",NA,"PDBC33590","142206","Present"
-"Compound E","","","","","","","","","","","","","","","","","","","","Compound E","","CC(C(=O)NC1(C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)C)NC(=O)CC4=CC(=CC(=C4)F)F","HMOIRTNDKBGZAW-JYRCXFKTSA-N","24202948",NA,"PDBC33591","726333","Present"
-"Compound E from Chinese domestic plant","","","","","","","","","","","","","","","","","","","","Compound E from Chinese domestic plant","","","","",NA,"PDBC33592","642511","Present"
-"Concanamycin A","","","","","","","","","","","","","","","","","","","","Concanamycin A","","CCC1C(C(CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C=CC)C)OC3CC(C(C(O3)C)OC(=O)N)O)O)O)OC)C)C)O","DJZCTUVALDDONK-WKSOANRISA-N","5468688",NA,"PDBC33593","674620","Present"
-"Concanamycin B","","","","","","","","","","","","","","","","","","","","Concanamycin B","","CC=CC1C(C(CC(O1)(C(C)C(C(C)C2C(C=CC=C(CC(C(C(C(C(C=C(C=C(C(=O)O2)OC)C)C)O)C)O)C)C)OC)O)O)OC3CC(C(C(O3)C)OC(=O)N)O)C","AQXXGIBOZQZSAT-PJGWWKFTSA-N","5468506",NA,"PDBC33594","670977","Present"
-"Concanamycin C","","","","","","","","","","","","","","","","","","","","Concanamycin C","","CCC1C(C(CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C=CC)C)OC3CC(C(C(O3)C)O)O)O)O)OC)C)C)O","XKYYLWWOGLVPOR-SVJPWFAWSA-N","24202503",NA,"PDBC33595","674621","Present"
-"Confertifoline","","","","","","","","","","","","","","","","","","","","CONFERTIFOLINE","","CC1(CCCC2(C1CCC3=C2COC3=O)C)C","ZERYGJQXPPRRCW-UHFFFAOYSA-N","435751",NA,"PDBC33596","375294","Present"
-"Congocidine","","","","","","","","","","","","","","","","","","","","netropsin","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N.Cl","FSOYOTWCAMRRGU-UHFFFAOYSA-N","5351456",NA,"PDBC33597","3067","Present"
-"Conocarpin","","","","","","","","","","","","","","","","","","","","Conocarpin///Leucodrin","","C1C(C2(C(C(OC2=O)C(CO)O)O)OC1=O)C3=CC=C(C=C3)O","JVCLQSJXGOABTC-UHFFFAOYSA-N","270432",NA,"PDBC33598","106976///112845","Present"
-"Contignasterol","","","","","","","","","","","","","","","","","","","","Contignasterol","","CC(C)C1CC(OC(C1)O)C(C)C2CC(=O)C3C2(CCC4C3C(C(C5C4(CCC(C5O)O)C)O)O)C","IRHVLQMEQPABHG-YVDIUZAXSA-N","374202",NA,"PDBC33599","651688","Present"
-"Control 1: 30 ml of untreated RPMI-1640 medium + 5% feta...","","","","","","","","","","","","","","","","","","","","Control 1: 30 ml of untreated RPMI-1640 medium + 5% feta...","","","","",NA,"PDBC33600","734176","Present"
-"Control 2: 30 ml of RPMI-1640 medium = 5% fetal bovine s...","","","","","","","","","","","","","","","","","","","","Control 2: 30 ml of RPMI-1640 medium = 5% fetal bovine s...","","","","",NA,"PDBC33601","734177","Present"
-"Conyzenol-19-succinate","","","","","","","","","","","","","","","","","","","","Conyzenol-19-succinate","","CC1(CCCC2(C1CCC(=C)C2CCC3=CC(=O)OC3)C)COC(=O)CCC(=O)O","POSXURGFKVMSQT-VSQYNUGQSA-N","391020",NA,"PDBC33602","689440","Present"
-"Copanlisib","","","","","","","","","","","","","","","","","","","","NSC760443///NSC800076///NSC809693///Copanlisib tris-HCl","","COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN5CCOCC5","MWYDSXOGIBMAET-UHFFFAOYSA-N","135565596",NA,"PDBC33603","760443///800076///809693///816437","Present"
-"Copper phthalocyanine","","","","","","","","","","","","","","","","","","","","copper polyphthalocyanine","","C1=CC=C2C(=C1)C3=NC4=NC(=NC5=NC(=NC6=NC(=NC2=N3)C7=CC=CC=C76)C8=CC=CC=C85)C9=CC=CC=C94.[Cu]","VVOLVFOSOPJKED-UHFFFAOYSA-N","475701",NA,"PDBC33604","43628","Present"
-"Copper sodium ethylenediaminetetraacetate (1:2:1)","","","","","","","","","","","","","","","","","","","","disodium cupric edta","","C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Na+].[Cu+2]","YZIVQZRVXMXRJY-UHFFFAOYSA-N","5351624",NA,"PDBC33605","7346","Present"
-"Copper(2+),2-ethanediamine-N,N')-, (SP-4-1)-, dinitrate","","","","","","","","","","","","","","","","","","","","Copper(2+), bis(1,2-ethanediamine-N,N')-, (SP-4-1)-, din...","","C(C[NH-])[NH-].C(C[NH-])[NH-].[N+](=O)(O)[O-].[Cu+2]","JYBQUUROONSXOL-UHFFFAOYSA-N","54599332",NA,"PDBC33606","167592","Present"
-"Copper(II) complex with a thiosemicarbazone as a ligand","","","","","","","","","","","","","","","","","","","","Copper(II) complex with a thiosemicarbazone as a ligand","","","","",NA,"PDBC33607","762008","Present"
-"Copper(II) complex with quin as a ligand","","","","","","","","","","","","","","","","","","","","Copper(II) complex with quin as a ligand","","","","",NA,"PDBC33608","762009","Present"
-"Copper(II) ocetanedioate 1,10-phenanthroline perchlorate","","","","","","","","","","","","","","","","","","","","Copper(II) ocetanedioate 1,10-phenanthroline perchlorate","","","","",NA,"PDBC33609","767442","Present"
-"Copper(II) phthalate 1,10-phenanthroline","","","","","","","","","","","","","","","","","","","","Copper(II) phthalate 1,10-phenanthroline","","","","",NA,"PDBC33610","767443","Present"
-"Copper(II) terephthalate 1,10-phenanthroline","","","","","","","","","","","","","","","","","","","","Copper(II) terephthalate 1,10-phenanthroline","","","","",NA,"PDBC33611","767441","Present"
-"Copper, [3-azabicyclo(3.2.2)nonan-3-ylcarbothioic acid[1...","","","","","","","","","","","","","","","","","","","","Copper, [3-azabicyclo(3.2.2)nonan-3-ylcarbothioic acid[1...","","","","",NA,"PDBC33612","633275","Present"
-"Copper, aqua[2-[(2-hydroxy-3-methoxyphenyl)methylene]- h...","","","","","","","","","","","","","","","","","","","","Copper, aqua[2-[(2-hydroxy-3-methoxyphenyl)methylene]- h...","","","","",NA,"PDBC33613","638304","Present"
-"Copper, bromo[2-[1-(2-pyridinyl)ethylidene][N,N-dimethyl...","","","","","","","","","","","","","","","","","","","","Copper, bromo[2-[1-(2-pyridinyl)ethylidene][N,N-dimethyl...","","","","",NA,"PDBC33614","635448","Present"
-"Copper, chloro[2-[1-(2-pyridinyl)ethylidene][N,N-dipropy...","","","","","","","","","","","","","","","","","","","","Copper, chloro[2-[1-(2-pyridinyl)ethylidene][N,N-dipropy...","","","","",NA,"PDBC33615","635449","Present"
-"Copper, chloro[hexahydro-1H-azepine-1-carbothioic acid [...","","","","","","","","","","","","","","","","","","","","Copper, chloro[hexahydro-1H-azepine-1-carbothioic acid [...","","","","",NA,"PDBC33616","324979","Present"
-"Copper, di.mu.-chloribis[1-[(1-piperdinyl-.kappa.N)methy...","","","","","","","","","","","","","","","","","","","","Copper, di.mu.-chloribis[1-[(1-piperdinyl-.kappa.N)methy...","","","","",NA,"PDBC33617","109268","Present"
-"Copper;(3E)-3-oxidoimino-1H-indol-2-one","","","","","","","","","","","","","","","","","","","","NSC7711","","C1=CC=C2C(=C1)C(=N[O-])C(=O)N2.C1=CC=C2C(=C1)C(=N[O-])C(=O)N2.[Cu+2]","XHTRKJYPZVRTGE-UHFFFAOYSA-L","135436508",NA,"PDBC33618","7711","Present"
-"Copper;(NE,3Z)-N-(1-pyridazin-3-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","","","","","","","","","","","","","","","","","Copper;(NE,3Z)-N-(1-pyridazin-3-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","",NA,"PDBC33619","633269","Present"
-"Copper;(NE,3Z)-N-(pyridazin-3-ylmethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","","","","","","","","","","","","","","","","","Copper;(NE,3Z)-N-(pyridazin-3-ylmethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","",NA,"PDBC33620","633277","Present"
-"Copper;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","","","","","","","","","","","","","","","","","Copper;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","",NA,"PDBC33621","633271","Present"
-"Copper;1,2-dicarboxyethylazanide","","","","","","","","","","","","","","","","","","","","Copper;1,2-dicarboxyethylazanide","","C(C(C(=O)O)[NH-])C(=O)O.C(C(C(=O)O)[NH-])C(=O)O.[Cu+2]","FFPCGFWGVZRUBE-UHFFFAOYSA-N","419807",NA,"PDBC33622","118516","Present"
-"Copper;1-(1-methylimidazol-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine;acetate;perchlorate","","","","","","","","","","","","","","","","","","","","Copper;1-(1-methylimidazol-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine;acetate;perchlorate","","CC(=O)[O-].CN1C=CN=C1CNCC2=NC=CN2C.[O-]Cl(=O)(=O)=O.[Cu+2]","PRVIXYMUDAIKIE-UHFFFAOYSA-L","24202012",NA,"PDBC33623","618144","Present"
-"Copper;1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea;pyridine","","","","","","","","","","","","","","","","","","","","Copper;1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea;pyridine","","","","",NA,"PDBC33624","638288","Present"
-"Copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitric acid","","","","","","","","","","","","","","","","","","","","Copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate","","CC(CN(CCN(CC(C)O)CC(C)O)CC(C)O)O.[N+](=O)(O)[O-].[Cu+2]","RGVZEYYKWQTKAH-UHFFFAOYSA-N","54609905",NA,"PDBC33625","103019","Present"
-"Copper;1-phenyldiazenylnaphthalen-2-olate","","","","","","","","","","","","","","","","","","","","Copper;1-phenyldiazenylnaphthalen-2-olate","","C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].[Cu+2]","GJSMBCHUOCBORJ-UHFFFAOYSA-L","345277",NA,"PDBC33626","402783","Present"
-"Copper;2,2,8,8-tetrachloro-1,3,7,9-tetrazanida-2,8-distannacyclododecane","","","","","","","","","","","","","","","","","","","","Copper;2,2,8,8-tetrachloro-1,3,7,9-tetrazanida-2,8-distannacyclododecane","","C1C[N-][Sn]([N-]CCC[N-][Sn]([N-]C1)(Cl)Cl)(Cl)Cl.[Cu+2]","HDLLUNQYXVOPTO-UHFFFAOYSA-J","16721153",NA,"PDBC33627","659411","Present"
-"Copper;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","","","","","","","","","","","","","","","","","","","Copper;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Cu+2]","UQKNQZDRXBFIPR-CNHJQGRJSA-L","9569781",NA,"PDBC33628","617587","Present"
-"Copper;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","","","","","","","","","","","","","","","","","","","Copper;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Cu+2]","YVROQYVQEJQOGT-CNHJQGRJSA-L","9569774",NA,"PDBC33629","617579","Present"
-"Copper;2-(2-aminoanilino)benzoate","","","","","","","","","","","","","","","","","","","","Copper;2-(2-aminoanilino)benzoate","","C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.[Cu+2]","CBLSYUMBXRIUEK-UHFFFAOYSA-L","24202384",NA,"PDBC33630","646284","Present"
-"Copper;2-[(E)-carbamoylazanidyliminomethyl]-6-methoxyphenolate;pyridine","","","","","","","","","","","","","","","","","","","","NSC638286","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC=NC=C1.[Cu+2]","OARRWORNPGRVAM-UHFFFAOYSA-L","9570065",NA,"PDBC33631","638286","Present"
-"Copper;2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate","","","","","","","","","","","","","","","","","","","","Copper;2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate","","","","",NA,"PDBC33632","626852","Present"
-"Copper;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol","","","","","","","","","","","","","","","","","","","","Copper;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol","","C1=CC=C(C(=C1)C=NC2=CC=CC=C2N=CC3=CC=CC=C3O)O.[Cu+2]","WXYRIKOCWQEJNI-UHFFFAOYSA-N","135422124",NA,"PDBC33633","51728","Present"
-"Copper;2-formyl-6-methoxyphenolate","","","","","","","","","","","","","","","","","","","","NSC638272","","COC1=CC=CC(=C1[O-])C=O.COC1=CC=CC(=C1[O-])C=O.[Cu+2]","YOOGUKUCZPSYJO-UHFFFAOYSA-L","368019",NA,"PDBC33634","638272","Present"
-"Copper;2-methoxy-6-[(4-methylpyridin-2-yl)iminomethyl]phenol","","","","","","","","","","","","","","","","","","","","Copper;2-methoxy-6-[(4-methylpyridin-2-yl)iminomethyl]phenol","","CC1=CC(=NC=C1)N=CC2=C(C(=CC=C2)OC)O.CC1=CC(=NC=C1)N=CC2=C(C(=CC=C2)OC)O.[Cu]","YYCLTEVUTGKPJD-UHFFFAOYSA-N","435019",NA,"PDBC33635","363002","Present"
-"Copper;3,3-dichloro-6,28-dioxa-2,4-diaza-15,19-diazanida-3-stannapentacyclo[18.8.0.05,14.07,12.022,27]octacosa-1(20),5(14),7,9,11,22,24,26-octaene-13,21-dione","","","","","","","","","","","","","","","","","","","","Copper;3,3-dichloro-6,28-dioxa-2,4-diaza-15,19-diazanida-3-stannapentacyclo[18.8.0.05,14.07,12.022,27]octacosa-1(20),5(14),7,9,11,22,24,26-octaene-13,21-dione","","C1C[N-]C2=C(N[Sn](NC3=C(C(=O)C4=CC=CC=C4O3)[N-]C1)(Cl)Cl)OC5=CC=CC=C5C2=O.[Cu+2]","NMIVTJJBNNXPLB-UHFFFAOYSA-J","9605160",NA,"PDBC33636","659412","Present"
-"Copper;3-(2,2-dichloro-10-methyl-7,11-diaza-1,3-diazanida-2-stannacyclotetradeca-7,10-dien-8-yl)-7-methylpyrano[3,2-c]pyran-2,5-dione","","","","","","","","","","","","","","","","","","","","Copper;3-(2,2-dichloro-10-methyl-7,11-diaza-1,3-diazanida-2-stannacyclotetradeca-7,10-dien-8-yl)-7-methylpyrano[3,2-c]pyran-2,5-dione","","CC1=NCCC[N-][Sn]([N-]CCCN=C(C1)C2=CC3=C(C=C(OC3=O)C)OC2=O)(Cl)Cl.[Cu+2]","PCQFXHVCMGVGLK-UHFFFAOYSA-L","16683584",NA,"PDBC33637","659410","Present"
-"Copper;5-(hydroxymethyl)-4-[6-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneamino]hexyliminomethyl]-2-methylpyridin-3-olate","","","","","","","","","","","","","","","","","","","","Copper;5-(hydroxymethyl)-4-[6-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneamino]hexyliminomethyl]-2-methylpyridin-3-olate","","CC1=NC=C(C(=C1[O-])C=NCCCCCCN=CC2=C(C(=NC=C2CO)C)[O-])CO.[Cu+2]","OQEKTMRKGGXGAZ-UHFFFAOYSA-L","360151",NA,"PDBC33638","622085","Present"
-"Copper;bis[(1-methylimidazol-2-yl)methyl]azanide;dinitrate","","","","","","","","","","","","","","","","","","","","Copper;bis[(1-methylimidazol-2-yl)methyl]azanide;dinitrate","","CN1C=CN=C1C[N-]CC2=NC=CN2C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2]","KRAWUOODCSIUDA-UHFFFAOYSA-N","358228",NA,"PDBC33639","618145","Present"
-"Copper;oxidanium;2-[(E)-carbamoylazanidyliminomethyl]-6-methoxyphenolate","","","","","","","","","","","","","","","","","","","","NSC638266","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.[OH3+].[Cu+2]","WBOMQTHIPHJITH-UHFFFAOYSA-M","24202302",NA,"PDBC33640","638266","Present"
-"Copper;perchloric acid;N-phenyl-1-piperidin-1-id-2-ylmethanimine","","","","","","","","","","","","","","","","","","","","Copper;perchloric acid;N-phenyl-1-piperidin-1-id-2-ylmethanimine","","C1CC[N-]C(C1)C=NC2=CC=CC=C2.C1CC[N-]C(C1)C=NC2=CC=CC=C2.OCl(=O)(=O)=O.[Cu+2]","CHQOZGLKBVJDPE-UHFFFAOYSA-N","54604587",NA,"PDBC33641","311658","Present"
-"Coptisine chloride","","","","","","","","","","","","","","","","","","","","Coptisine chloride","","C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6.[Cl-]","LUXPUVKJHVUJAV-UHFFFAOYSA-M","72321",NA,"PDBC33642","119754","Present"
-"Cordifene","","","","","","","","","","","","","","","","","","","","Cordifene","","CC=C(C)C(=O)OC1CC2(C(O2)C3C(O3)C(=C)C(C4C1C(=C)C(=O)O4)O)C","RKAXEWSQYMGBAP-SOFGYWHQSA-N","5477773",NA,"PDBC33643","354437","Present"
-"Cordigone","","","","","","","","","","","","","","","","","","","","Cordigone","","C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C(=O)C4=C(C=C(C=C4)O)O)C(=O)C5=C(C=C(C=C5)O)O)O","MGYYQYIFNBTUAB-UHFFFAOYSA-N","362039",NA,"PDBC33644","625546","Present"
-"Coriphosphine O","","","","","","","","","","","","","","","","","","","","coriphosphine","","CC1=CC2=C(C=C1N)N=C3C=C(C=CC3=C2)N(C)C.Cl","JRMDFAKCPRMZKA-UHFFFAOYSA-N","9860722",NA,"PDBC33645","12454","Present"
-"Coronalolide methyl ester","","","","","","","","","","","","","","","","","","","","C31H44O5","","CC(CCC=C(C)C=O)C1CCC2(C1(CCC34C2CC5C(C3(C4)CCC(=O)OC)C(=C)C(=O)O5)C)C","FPFAZZFTBDKRJL-PXERRMOCSA-N","5468948",NA,"PDBC33646","680073","Present"
-"Coronopilin","","","","","","","","","","","","","","","","","","","","Coronopilin","","CC1CCC2C(C3(C1(CCC3=O)O)C)OC(=O)C2=C","GEUJJEYGSRWXPC-JISBIHODSA-N","257278",NA,"PDBC33647","85242","Present"
-"Corrigen","","","","","","","","","","","","","","","","","","","","Oleandrin","","CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O","JLPDBLFIVFSOCC-UJQZKUKMSA-N","261943",NA,"PDBC33648","692219","Present"
-"Cortisol, 21-(hydrogen diglycolate)","","","","","","","","","","","","","","","","","","","","Cortisol, 21-(hydrogen diglycolate)","","CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)COCC(=O)O)O)C)O","UGAMJALKBNFFGU-CGVGKPPMSA-N","227838",NA,"PDBC33649","19966","Present"
-"Corycavine oxalate","","","","","","","","","","","","","","","","","","","","Corycavine oxalate","","CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5.C(=O)(C(=O)O)O","NRVLAGOGGKQWCH-UHFFFAOYSA-N","54601482",NA,"PDBC33650","109441","Present"
-"Corylifolin","","","","","","","","","","","","","","","","","","","","Corylifolin","","CC(C)(C=C)C=CC1=CC=C(C=C1)O","DKVQOAMBVKKPAM-MDZDMXLPSA-N","5470819",NA,"PDBC33651","705532","Present"
-"Corymine","","","","","","","","","","","","","","","","","","","","CORYMINE","","CC=C1CN2CCC34C2(C5CC1C3(C(O5)O)C(=O)OC)N(C6=CC=CC=C46)C","KRTMWLRPHKYUJX-PQMHYQBVSA-N","5379626",NA,"PDBC33652","381080","Present"
-"Corymine, acetyl","","","","","","","","","","","","","","","","","","","","CORYMINE, ACETYL","","CC=C1CN2CCC34C2(C5CC1C3(C(O5)OC(=O)C)C(=O)OC)N(C6=CC=CC=C46)C","FCGKYGRIKFLOBO-WCSRMQSCSA-N","5478098",NA,"PDBC33653","381079","Present"
-"Coryn-19-en-17-ol","","","","","","","","","","","","","","","","","","","","Coryn-19-en-17-ol","","CC=C1CN2CCC3=C(C2CC1CCO)NC4=CC=CC=C34","LGJLRIJXTPDFNB-XNJYKOPJSA-N","5467208",NA,"PDBC33654","648413","Present"
-"Cosalane, ammonium","","","","","","","","","","","","","","","","","","","","COSALANE, AMMONIUM","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C.N","FDKLYUPKBGZXPL-SGAANVMNSA-N","11969935",NA,"PDBC33655","640067","Present"
-"Costatone","","","","","","","","","","","","","","","","","","","","Costatone","","CC1=C(CC(OC1(C(Br)Br)O)C(=CCl)C)Cl","CVIPXLIMSIYMFK-BJLGHUSZSA-N","5359027",NA,"PDBC33656","294580","Present"
-"Cotylenin A","","","","","","","","","","","","","","","","","","","","Cotylenin A","","CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C5C6(C(O4)COC)OC(O5)C(O6)(C)C7CO7)O)C(C)C)C)(COC)O","SMQRKTIIIYTOTN-UDWIEESQSA-N","5477444",NA,"PDBC33657","319518","Present"
-"Coulteropine hydrochloride","","","","","","","","","","","","","","","","","","","","Coulteropine hydrochloride","","C[N+]12CCC3=CC4=C(C(=C3C1(CC5=C(C2)C6=C(C=C5)OCO6)O)OC)OCO4.[Cl-]","KKADMSLKSPLEKC-UHFFFAOYSA-M","24190452",NA,"PDBC33658","108736","Present"
-"Coumamycin","","","","","","","","","","","","","","","","","","","","notomycin","","CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(C7=C(C(=C(C=C7)OC8C(C(C(C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)C)OC6=O)O)O)C)O","WTIJXIZOODAMJT-UHFFFAOYSA-N","54678496",NA,"PDBC33659","107412","Present"
-"Coumaphos syn-dimer","","","","","","","","","","","","","","","","","","","","Coumaphos syn-dimer","","CCOP(=S)(OCC)OC1=CC2=C(C=C1)C3(C(C(=O)O2)(C4(C3(C(=O)OC5=C4C=CC(=C5)OP(=S)(OCC)OCC)Cl)C)Cl)C","KPPSNIXPCINDBZ-UHFFFAOYSA-N","365489",NA,"PDBC33660","633122","Present"
-"Coumarin","","","","","","","","","","","","","","","","","","","","Coumarin","","C1=CC=C2C(=C1)C=CC(=O)O2","ZYGHJZDHTFUPRJ-UHFFFAOYSA-N","323",NA,"PDBC33661","8774","Present"
-"Coumarin 138","","","","","","","","","","","","","","","","","","","","Coumarin 138","","CN(C)C1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2","RIUSGHALMCFISX-UHFFFAOYSA-N","100527",NA,"PDBC33662","315247","Present"
-"Coumarin 30","","","","","","","","","","","","","","","","","","","","Coumarin 30","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C","KZFUMWVJJNDGAU-UHFFFAOYSA-N","100335",NA,"PDBC33663","290433","Present"
-"Coumarin 307","","","","","","","","","","","","","","","","","","","","Coumarin 307","","CCNC1=CC2=C(C=C1C)C(=CC(=O)O2)C(F)(F)F","NRZJOTSUPLCYDJ-UHFFFAOYSA-N","72817",NA,"PDBC33664","338966","Present"
-"Coumarin 314","","","","","","","","","","","","","","","","","","","","Coumarin 314","","CCOC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3","VMJKUPWQKZFFCX-UHFFFAOYSA-N","72653",NA,"PDBC33665","338967","Present"
-"Coumarin 337","","","","","","","","","","","","","","","","","","","","Coumarin 337","","C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1","LGDDFMCJIHJNMK-UHFFFAOYSA-N","72654",NA,"PDBC33666","338968","Present"
-"Coumarin 340","","","","","","","","","","","","","","","","","","","","Coumarin 340","","C1CC2=CC3=C(C=C2NC1)OC(=O)C=C3C(F)(F)F","XJDJBMLMMBPNGL-UHFFFAOYSA-N","100790",NA,"PDBC33667","369289","Present"
-"Coumarin 355","","","","","","","","","","","","","","","","","","","","Coumarin 355","","CCN1CCCC2=CC3=C(C=C21)OC(=O)C=C3C(F)(F)F","FNGKJWDTEBDTNX-UHFFFAOYSA-N","72818",NA,"PDBC33668","338969","Present"
-"Coumarin Derivative of Gichigamin A","","","","","","","","","","","","","","","","","","","","Coumarin Derivative of Gichigamin A","","CCC(C)(C(=O)NCCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NCCC(=O)NCCOC(=O)NC1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O)NC(=O)C(C)NC(=O)CCNC(=O)C(C)(C)NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(C)(CC)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5CCCN5C(=O)C(C)(C)NC(=O)C6CCCN6C(=O)C(C)(C)NC(=O)C","NNDWHWTXOMOPFE-SQOKJJRSSA-N","155814863",NA,"PDBC33669","783219","Present"
-"Coumarin deriv","","","","","","","","","","","","","","","","","","","","COUMARIN DERIV","","CC1=CC(OC1=O)CC(=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C","CFNMUZCFSDMZPQ-KPKJPENVSA-N","5776876",NA,"PDBC33670","356887","Present"
-"Coumarin-3-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC14797///NSC53239","","C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O","ACMLKANOGIVEPB-UHFFFAOYSA-N","10752",NA,"PDBC33671","14797///53239","Present"
-"Coumestrol","","","","","","","","","","","","","","","","","","","","cumostrol","","C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O","ZZIALNLLNHEQPJ-UHFFFAOYSA-N","5281707",NA,"PDBC33672","22842","Present"
-"Cowanin","","","","","","","","","","","","","","","","","","","","Cowanin","","CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)OC)C)C","GVDDDYKLKUMEGV-WOJGMQOQSA-N","11754819",NA,"PDBC33673","752810","Present"
-"Cowlteropine","","","","","","","","","","","","","","","","","","","","Cowlteropine","","CN1CCC2=CC3=C(C(=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OC)OCO3","SWBXJEKOHMOEFV-UHFFFAOYSA-N","371260",NA,"PDBC33674","645319","Present"
-"Cpd-401","","","","","","","","","","","","","","","","","","","","Cpd-401","","CN1C2=C(C=C(C=C2)OC3=NC=C(C=C3)N(C)C(=O)C4=CC=C(C=C4)C(F)(F)F)C=C1C(=O)N5CCN(CC5)CC6=CC=C(C=C6)OC(F)F","UBBWYZSITCQSJO-UHFFFAOYSA-N","25256150",NA,"PDBC33675","757334","Present"
-"Crassin","","","","","","","","","","","","","","","","","","","","Crassin","","CC1CC(C=C(CCC=C(CC(C2CC1OC(=O)C2=C)O)C)C)O","GQTPRLWQZDUWKJ-SWZPTJTJSA-N","5357909",NA,"PDBC33676","210236","Present"
-"Crassin cinnamate","","","","","","","","","","","","","","","","","","","","Crassin cinnamate","","CC1=CCCC(C2CC(C(CC(=CCC1)C)OC(=O)C=CC3=CC=CC=C3)C(=C)C(=O)O2)(C)O","OIPLHPLXYLYNND-NVVRCDLOSA-N","5458572",NA,"PDBC33677","286161","Present"
-"Crassin ketones","","","","","","","","","","","","","","","","","","","","crassin ketones","","CC1CCCC(=CCCC(C2CC(C(=C)C(=O)O2)C(=O)C1)(C)O)C","URWWHNWSDGNIPC-RNEMVUGNSA-N","54604606",NA,"PDBC33678","301686","Present"
-"Crassin, acetate","","","","","","","","","","","","","","","","","","","","CRASSIN, ACETATE///Crassin acetate","","CC1=CCCC(C2CC(C(CC(=CCC1)C)OC(=O)C)C(=C)C(=O)O2)(C)O","WMGWWFHPPNGBBT-KDEUEPBXSA-N","5355441",NA,"PDBC33679","36437///46728","Present"
-"Crc 86-05","","","","","","","","","","","","","","","","","","","","Crc 86-05","","CCCCCCCCCCCCCCCCCCOCC1(CCCO1)COP(=O)([O-])OCC[N+](C)(C)C","OEWZGBLJCYAMEG-UHFFFAOYSA-N","130724",NA,"PDBC33680","614383","Present"
-"Crenigacestat","","","","","","","","","","","","","","","","","","","","LY-3039478","","CC(C(=O)NC1C2=CC=CC=C2C3=C(N=CC=C3)N(C1=O)CCO)NC(=O)CCC(F)(F)F","YCBAQKQAINQRFW-UGSOOPFHSA-N","71236992",NA,"PDBC33681","787253","Present"
-"Crenuladial","","","","","","","","","","","","","","","","","","","","Crenuladial","","CC1CC(C(C2=C(C3C1C3)C(OC2O)O)C(C)CCC=C(C)C)OC(=O)C","IJCISQPPHNICOM-WCGOURIUSA-N","365667",NA,"PDBC33682","633521","Present"
-"Crinamin","","","","","","","","","","","","","","","","","","","","Crinamin","","COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O","YGPRSGKVLATIHT-DMNNGBKGSA-N","258957",NA,"PDBC33683","88421","Present"
-"Crispatine","","","","","","","","","","","","","","","","","","","","fulvine","","CC1C(=O)OCC2=CCN3C2C(CC3)OC(=O)C(C1(C)O)C","PSUFRPOAICRSTC-UHFFFAOYSA-N","185881",NA,"PDBC33684","89932","Present"
-"Cristatic acid","","","","","","","","","","","","","","","","","","","","Cristatic acid","","CC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCCC2=COC(=C2)C=C(C)C)O","SHLSLIGKNZUPMK-OVCLIPMQSA-N","5458761",NA,"PDBC33685","338268","Present"
-"Crivelline","","","","","","","","","","","","","","","","","","","","criwelline","","CN1CC2(C3(C1CC(C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O","YLWAQARRNQVEHD-GYIHYUDTSA-N","101760",NA,"PDBC33686","88419","Present"
-"Crotepoxide","","","","","","","","","","","","","","","","","","","","Crotepoxide","","CC(=O)OC1C2C(O2)C3C(C1OC(=O)C)(O3)COC(=O)C4=CC=CC=C4","ASAWUXMEXFAFMU-DBDULZNHSA-N","161314",NA,"PDBC33687","106396","Present"
-"Crotocembraneic acid","","","","","","","","","","","","","","","","","","","","Crotocembraneic acid","","CC1=CCCC(=CC=C(CCC(=CCC1)C(=O)O)C(C)C)C","PJVZQWKLUCVIQA-RJVZQQKXSA-N","5471235",NA,"PDBC33688","709859","Present"
-"Crotoxin CD","","","","","","","","","","","","","","","","","","","","Crotoxin CD","","","","",NA,"PDBC33689","636009","Present"
-"Crovatin","","","","","","","","","","","","","","","","","","","","Crovatin","","CC1CCC23C4C15CC(OC5OC2OC(C3C(=O)OC)CC4)C6=COC=C6","GRJSIUBKDJRQIL-OEGUFJNYSA-N","375033",NA,"PDBC33690","653859","Present"
-"Cryptocaryone","","","","","","","","","","","","","","","","","","","","(4Z)-3a,4-dihydro-4-((E)-1-hydroxy-3-phenylallylidene)be...","","C1C2C(C=CC(=O)C2=C(C=CC3=CC=CC=C3)O)OC1=O","PTLQMLWEJRHXDU-VHIARPGFSA-N","10379026",NA,"PDBC33691","752463","Present"
-"Cryptofolione","","","","","","","","","","","","","","","","","","","","Cryptofolione","","C1C=CC(=O)OC1C=CCC(CC(C=CC2=CC=CC=C2)O)O","JSKFCRSAYKODTM-RKYSLMRCSA-N","5468868",NA,"PDBC33692","678117","Present"
-"Cryptolepinone","","","","","","","","","","","","","","","","","","","","Cryptolepinone","","CN1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4N3","RSDQEJTWGFZASQ-UHFFFAOYSA-N","178034",NA,"PDBC33693","669520","Present"
-"Cryptophycin","","","","","","","","","","","","","","","","","","","","Cryptophycin","","CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl","PSNOPSMXOBPNNV-UKTHLTGXSA-N","5468287",NA,"PDBC33694","667642","Present"
-"Cryptophycin B","","","","","","","","","","","","","","","","","","","","Cryptophycin B","","CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC=C(C=C4)OC","YFGZFQNBPSCWPN-FOLMERSESA-N","5468424",NA,"PDBC33695","670038","Present"
-"Cryptopine","","","","","","","","","","","","","","","","","","","","Cryptopine","","COC1=C(C=C2C(=C1)CCNCC3=C(CC2=O)C=CC4=C3OCO4)OC","WIILRXFCYJMJTC-UHFFFAOYSA-N","371229",NA,"PDBC33696","645287","Present"
-"Cryptopleurine","","","","","","","","","","","","","","","","","","","","Cryptopleurine","","COC1=CC2=C(C=C1)C3=C(CC4CCCCN4C3)C5=CC(=C(C=C52)OC)OC","RSHYSOGXGSUUIJ-OAHLLOKOSA-N","92765",NA,"PDBC33697","19912","Present"
-"Cryptosporiopsin","","","","","","","","","","","","","","","","","","","","Cryptosporiopsin","","CC=CC1=C(C(=O)C(C1(C(=O)OC)O)Cl)Cl","VFXXEEUGYINLKM-KHSHYHJCSA-N","5382352",NA,"PDBC33698","137442","Present"
-"Cryptotanshinone","","","","","","","","","","","","","","","","","","","","(-)-Cryptotanshinone","","CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C","GVKKJJOMQCNPGB-JTQLQIEISA-N","160254",NA,"PDBC33699","686518","Present"
-"Crystox oxime","","","","","","","","","","","","","","","","","","","","Crystox oxime","","CC1=CC(C(C(C1)(C)C)O)C2C(=NO)C=C(CC2(C)C)C","JFSZVSHUGZIAMG-XMHGGMMESA-N","5351766",NA,"PDBC33700","40781","Present"
-"Csf1R-IN-2","","","","","","","","","","","","","","","","","","","","TPX-0022","","CCN1CC2=C(C=CC(=C2C#N)F)OC(CNC(=O)C3=C4N=C1C=CN4N=C3N)C","UUDPUQDMSHQSKH-NSHDSACASA-N","137455315",NA,"PDBC33701","820832","Present"
-"Cu(II)2(3,5-Diisopropylacetyl salicylate).2H2O","","","","","","","","","","","","","","","","","","","","Cu(II)2(3,5-Diisopropylacetyl salicylate).2H2O","","CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.[Cu+2].[Cu+2]","ZAMPHWUWZXELAZ-UHFFFAOYSA-J","394476",NA,"PDBC33702","697989","Present"
-"Cu,3-5-Diisopropyl salicylate","","","","","","","","","","","","","","","","","","","","Cu,2Mn,3-5-Diisopropyl salicylate","","CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.[Mn+2].[Mn+2].[Cu+2]","HNLWSVSCHMDWHS-UHFFFAOYSA-H","11979352",NA,"PDBC33703","649864","Present"
-"Cuban-1-ylmethanol","","","","","","","","","","","","","","","","","","","","SB13672","","C(C12C3C4C1C5C4C3C25)O","SHBYTOJQOCOSPG-UHFFFAOYSA-N","276345",NA,"PDBC33704","124081","Present"
-"Cubane-1,3,5,7-tetracarboxylic acid","","","","","","","","","","","","","","","","","","","","Cubane-1,3,5,7-tetracarboxylic acid","","C12C3(C4C1(C5C2(C3C45C(=O)O)C(=O)O)C(=O)O)C(=O)O","QGYMAFGVNUKBCO-UHFFFAOYSA-N","392842",NA,"PDBC33705","693854","Present"
-"Cubane-1,4-dicarbohydroxamic acid","","","","","","","","","","","","","","","","","","","","Cubane-1,4-dicarbohydroxamic acid","","C12C3C4C1(C5C2C3(C45)C(=O)NO)C(=O)NO","FFCVPSDLKBORSP-UHFFFAOYSA-N","369225",NA,"PDBC33706","640931","Present"
-"Cucurbitacin A","","","","","","","","","","","","","","","","","","","","Cucurbitacin A","","CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)CO)C)C)O)O","IHTCCHVMPGDDSL-IVNGUWCNSA-N","5281315",NA,"PDBC33707","94743","Present"
-"Cucurbitacin B","","","","","","","","","","","","","","","","","","","","Cucurbitacin B","","CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O","IXQKXEUSCPEQRD-DKRGWESNSA-N","5281316",NA,"PDBC33708","49451","Present"
-"Cucurbitacin D","","","","","","","","","","","","","","","","","","","","elatericin a","","CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C","SRPHMISUTWFFKJ-QJNWWGCFSA-N","5281318",NA,"PDBC33709","308606","Present"
-"Cucurbitacin E","","","","","","","","","","","","","","","","","","","","cucurbitacin e","","CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O","NDYMQXYDSVBNLL-MUYMLXPFSA-N","5281319",NA,"PDBC33710","106399","Present"
-"Cucurbitacin I, 2-glucoside","","","","","","","","","","","","","","","","","","","","Cucurbitacin I, 2-glucoside","","","","",NA,"PDBC33711","184734","Present"
-"Cucurbitacin K","","","","","","","","","","","","","","","","","","","","Cucurbitacin K","","CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)CC(C(C)(C)O)O)O)O)C)C","FBGLZDYMEULGSX-UHFFFAOYSA-N","270061",NA,"PDBC33712","112166","Present"
-"Culmorin","","","","","","","","","","","","","","","","","","","","Culmorin","","CC1(CCCC2(C3C1C(C2(CC3O)C)O)C)C","VWMGBHVRRNKOAE-UHFFFAOYSA-N","368926",NA,"PDBC33713","640334","Present"
-"Cumertilin","","","","","","","","","","","","","","","","","","","","Cumertilin","","CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC([CH2-])CC1=CC=CC2=C1OC(=O)C(=C2)C(=O)O.[OH-].[Hg+2]","UOZCRNZSQYGXHG-UHFFFAOYSA-M","413020",NA,"PDBC33714","44251","Present"
-"Cuneatin methyl ether","","","","","","","","","","","","","","","","","","","","Maxima isoflavone G methyl ether","","COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3OC)OCO4","MSPWKPQQHHCXLR-UHFFFAOYSA-N","343083",NA,"PDBC33715","382030","Present"
-"Cuprate(1-), dibromo[2-[(2-pyridinyl)methylene][N,N-dipr...","","","","","","","","","","","","","","","","","","","","Cuprate(1-), dibromo[2-[(2-pyridinyl)methylene][N,N-dipr...","","","","",NA,"PDBC33716","635451","Present"
-"Cuprate(3-),5-dihydro-3-methyl-5-(oxo-kappaO)-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]azo-kappaN1]-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(7-)]]di-, trihydrogen","","","","","","","","","","","","","","","","","","","","Cuprate(3-), [.mu.-[4-amino-6-[[4'-[[4,5-dihydro-3-methy...","","CC1=NN(C(=C1N=[N+](C)C2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C5=C(C=C4)C(=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])[O-])[O-])C6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Cu+2].[Cu+2]","IOMMPXQCMVXULH-UHFFFAOYSA-H","135502222",NA,"PDBC33717","306711","Present"
-"Cupric chloride","","","","","","","","","","","","","","","","","","","","cupric chloride","","Cl[Cu]Cl","ORTQZVOHEJQUHG-UHFFFAOYSA-L","24014",NA,"PDBC33718","165706","Present"
-"Cuprimyxin","","","","","","","","","","","","","","","","","","","","Cuprimyxin","","","","",NA,"PDBC33719","136768","Present"
-"Curcumenol","","","","","","","","","","","","","","","","","","","","Curcumenol","","CC1CCC2C13CC(=C(C)C)C(O3)(C=C2C)O","ISFMXVMWEWLJGJ-UHFFFAOYSA-N","387977",NA,"PDBC33720","682343","Present"
-"Curcumin tri adamantylaminoethylcarbonate","","","","","","","","","","","","","","","","","","","","curcumin tri adamantylaminoethylcarbonate","","COC1=C(C=CC(=C1)C=CC(=O)C(C(=O)CCNC23CC4CC(C2)CC(C4)C3)C(=O)C=CC5=CC(=C(C=C5)OC(=O)CCNC67CC8CC(C6)CC(C8)C7)OC)OC(=O)CCNC91CC2CC(C9)CC(C2)C1","OIZJAFUIARIRBU-FCXRPNKRSA-N","45028267",NA,"PDBC33721","742021","Present"
-"Curcumin tri trithiadiazolaminoethylcarbonate","","","","","","","","","","","","","","","","","","","","curcumin tri trithiadiazolaminoethylcarbonate","","CC1=NN=C(S1)NCCC(=O)C(C(=O)C=CC2=CC(=C(C=C2)OC(=O)CCNC3=NN=C(S3)C)OC)C(=O)C=CC4=CC(=C(C=C4)OC(=O)CCNC5=NN=C(S5)C)OC","MZBNBCXIVRFIPQ-JMQWPVDRSA-N","45028268",NA,"PDBC33722","742022","Present"
-"Curcumin-difluorinated (CDF)","","","","","","","","","","","","","","","","","","","","Curcumin-difluorinated (CDF)","","COC1=C(C=CC(=C1)C=CC(=O)C(=CC2=CC(=C(C=C2)F)F)C(=O)C=CC3=CC(=C(C=C3)O)OC)O","UUPCLOLPGXQUSO-LUZURFALSA-N","54597187",NA,"PDBC33723","752571","Present"
-"Currayanine","","","","","","","","","","","","","","","","","","","","Currayanine","","CC1=CC2=C(C3=C1OC4(CCC(C3C4)C(=C)C)C)NC5=CC=CC=C52","KXNHNLQCCJZSEK-UHFFFAOYSA-N","375144",NA,"PDBC33724","654278","Present"
-"Curromycin A.B mixture","","","","","","","","","","","","","","","","","","","","Curromycin A.B mixture","","CC1C(=O)C(C2(C1(C(CC(C)C(C=CC=CCNC(=O)C(C)(C)C(C(=CC=CC=CCC3=CN=C(O3)C)C)O)O)OC)O)C(OC2=O)C)NC.CC1C(=O)C(C2(C1(C(CC(C)C(C=CC=CCNC(=O)C(C)(C)C(C(=CC=CC=CCC3=CN=C(O3)C)C)O)O)OC)O)C(OC2=O)COC)NC","BVVIQKQEIHWNNI-WIMVRUGNSA-N","54608021",NA,"PDBC33725","606307","Present"
-"Curryangine","","","","","","","","","","","","","","","","","","","","Curryangine","","CC1=CC2=C3C4=C1OC5(CCC(C4C5)C(N3C6=CC=CC=C62)(C)C)C","YPSWCORASQDCJM-UHFFFAOYSA-N","375143",NA,"PDBC33726","654277","Present"
-"Curvularin","","","","","","","","","","","","","","","","","","","","Curvularin","","CC1CCCCCC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O","VDUIGYAPSXCJFC-UHFFFAOYSA-N","296197",NA,"PDBC33727","166071","Present"
-"Cuspidatin B","","","","","","","","","","","","","","","","","","","","Cuspidatin B","","CC1=C2C(C(C3(C(CC(C(=C)C3C(C(C2(C)C)CC1OC(=O)C=CC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","KSOKFZHEGYQOLT-WUKNDPDISA-N","5459163",NA,"PDBC33728","636858","Present"
-"Cuspidatin C","","","","","","","","","","","","","","","","","","","","Cuspidatin C","","CC1=C2C(C(C3(C(CC(C2(C)C)CC1OC(=O)C)C(=C)C(CC3OC(=O)C)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C","MIJTXBNFQDJTPL-FOCLMDBBSA-N","5459164",NA,"PDBC33729","636859","Present"
-"Custom Peptide 835899","","","","","","","","","","","","","","","","","","","","Custom Peptide 835899","","","","",NA,"PDBC33730","756651","Present"
-"Cutisone","","","","","","","","","","","","","","","","","","","","kutizon","","CC(C)C1=CC=C(C=C1)C=NNC(=S)N","GCIARVDJUYGSFQ-NTUHNPAUSA-N","6474556",NA,"PDBC33731","9936","Present"
-"Cyanic acid, 4-(1-methyl-1-phenylethyl)phenyl ester","","","","","","","","","","","","","","","","","","","","4-Cumylphenol cyanate ester","","CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC#N","SUXGZGQKIFLKOR-UHFFFAOYSA-N","371796",NA,"PDBC33732","646240","Present"
-"Cyano pyridine-P-CH3","","","","","","","","","","","","","","","","","","","","cyano pyridine -P-CH3","","CC1=CC=C(C=C1)C2=NC(=C(C3=C2CCOC4=C3C=CC5=CC=CC=C54)C#N)N","YCMLFBCKYRENRA-UHFFFAOYSA-N","406496",NA,"PDBC33733","724623","Present"
-"Cyano-[3-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boranuide","","","","","","","","","","","","","","","","","","","","Cyano-[3-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boranuide","","","","",NA,"PDBC33734","698277","Present"
-"Cyano-[4-[(1,1,1-trifluoropropan-2-ylamino)carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[(1,1,1-trifluoropropan-2-ylamino)carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33735","676928","Present"
-"Cyano-[4-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33736","672811","Present"
-"Cyano-[4-[[(2,2,2-trifluoro-1-phenylethyl)amino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[(2,2,2-trifluoro-1-phenylethyl)amino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33737","679107","Present"
-"Cyano-[4-[[(3,4-dimethoxyphenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[(3,4-dimethoxyphenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33738","697119","Present"
-"Cyano-[4-[[(4-fluorophenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[(4-fluorophenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33739","697118","Present"
-"Cyano-[4-[[1-(2,4-dichlorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[1-(2,4-dichlorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33740","697115","Present"
-"Cyano-[4-[[1-(2,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[1-(2,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33741","697116","Present"
-"Cyano-[4-[[1-(2-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[1-(2-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33742","697113","Present"
-"Cyano-[4-[[1-(3,4-dichlorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[1-(3,4-dichlorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33743","676925","Present"
-"Cyano-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33744","676926","Present"
-"Cyano-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33745","672813","Present"
-"Cyano-[4-[[1-(3-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[1-(3-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33746","697114","Present"
-"Cyano-[4-[[1-(4-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[1-(4-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33747","676924","Present"
-"Cyano-[4-[[1-[3-(trifluoromethyl)phenyl]ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[1-[3-(trifluoromethyl)phenyl]ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33748","672812","Present"
-"Cyano-[4-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","","","","","","","","","","","","","","","","","Cyano-[4-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]pyridin-1-ium-1-yl]boron","","","","",NA,"PDBC33749","698276","Present"
-"Cyanoamino pyranopyrane","","","","","","","","","","","","","","","","","","","","CYANOAMINO PYRANOPYRANE","","COC1=C(C=C(C=C1)C2C3=C(C4=C(C=CC(=C4)F)OC3)OC(=C2C#N)N)OC","FLLZTOGZQZQUFB-UHFFFAOYSA-N","11625098",NA,"PDBC33750","731531","Present"
-"Cyanoaminopyranopyridine derivatives","","","","","","","","","","","","","","","","","","","","cyanoaminopyranopyridine derivatives","","COC1=C(C=C(C=C1)C2=C3COC4=C(C3=NC(=C2C#N)N)C=C(C=C4)F)OC","VUDZKZYXJJIUPC-UHFFFAOYSA-N","11494577",NA,"PDBC33751","731527","Present"
-"Cyanoanilino-azatoxin","","","","","","","","","","","","","","","","","","","","Cyanoanilino-azatoxin","","COC1=CC(=CC(=C1O)OC)C2C3=C(C(C4N2C(=O)OC4)NC5=CC=C(C=C5)C#N)C6=CC=CC=C6N3","UXAJBPQENPJRSE-LLHWJCAFSA-N","378897",NA,"PDBC33752","662305","Present"
-"Cyanocycline A","","","","","","","","","","","","","","","","","","","","CYANO-NAPA///cyanocycline a","","CC1=C(C(=O)C2=C(C1=O)C3C4C5C(CC(N5C)C(N4C2CO)C#N)C6N3CCO6)OC","KDWXMIJUXUSUMZ-UHFFFAOYSA-N","100158",NA,"PDBC33753","348121///349644","Present"
-"Cyanomorpholinoadriamycin","","","","","","","","","","","","","","","","","","","","Cyanomorpholinodoxorubicin","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6C#N)O","YIMDLWDNDGKDTJ-WJRCOUIISA-N","337854",NA,"PDBC33754","357704","Present"
-"Cyanopindolol","","","","","","","","","","","","","","","","","","","","Cyanopindolol","","CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O","QXIUMMLTJVHILT-UHFFFAOYSA-N","155346",NA,"PDBC33755","707473","Present"
-"Cyanopyridine-OCH3","","","","","","","","","","","","","","","","","","","","cyanopyridine - OCH3","","COC1=CC=C(C=C1)C2=NC(=C(C3=C2CCOC4=C3C=CC5=CC=CC=C54)C#N)N","MJNKELXSVHNDGL-UHFFFAOYSA-N","406497",NA,"PDBC33756","724624","Present"
-"Cyc065","","","","","","","","","","","","","","","","","","","","CYC-065","","CCC(C(C)O)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CN=C(C=C3C)C","DLPIYBKBHMZCJI-WBVHZDCISA-N","24983461",NA,"PDBC33757","806387","Present"
-"Cyclamin","","","","","","","","","","","","","","","","","","","","Cyclamin","","CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(CO7)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CCC91C3(CC(C2(C9CC(CC2)(C)C=O)CO1)O)C)C)C","JPEQATLMKATGAQ-UHFFFAOYSA-N","418710",NA,"PDBC33758","104795","Present"
-"Cycleanine plus mixture of other alkaloids","","","","","","","","","","","","","","","","","","","","Cycleanine plus mixture of other alkaloids","","CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC","ANOXEUSGZWSCQL-UHFFFAOYSA-N","357329",NA,"PDBC33759","615580","Present"
-"Cyclic dibutyryl AMP","","","","","","","","","","","","","","","","","","","","cyclic dibutyryl amp","","CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC","CJGYSWNGNKCJSB-UHFFFAOYSA-N","2460",NA,"PDBC33760","143108","Present"
-"Cycliramine maleate","","","","","","","","","","","","","","","","","","","","Cycliramine Maleate","","CN1CCC(=C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CC1.C(=CC(=O)O)C(=O)O","KJSKCUMUVXPETM-BTJKTKAUSA-N","5357113",NA,"PDBC33761","70933","Present"
-"Cyclo(-(R)-b2hPhe-D-Pro-Lys-Phe)","","","","","","","","","","","","","","","","","","","","cyclo(-(R)-b2hPhe-D-Pro-Lys-Phe)","","C1CC2C(=O)NC(C(=O)NC(C(=O)NCC(C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCN","BZCYOJCHUSYJRM-KEVKATSASA-N","16083382",NA,"PDBC33762","742380","Present"
-"Cyclo(-D-His-Pro)","","","","","","","","","","","","","","","","","","","","Pyrrolo[1,2-a]pyrazine-1,4-dione, octahydro-3-1H-imidazo...","","C1CC2C(=O)NC(C(=O)N2C1)CC3=CN=CN3","NAKUGCPAQTUSBE-BDAKNGLRSA-N","360579",NA,"PDBC33763","622731","Present"
-"Cyclo(-Phe-D-Pro-Lys-(R)-b2hPhe-)","","","","","","","","","","","","","","","","","","","","cyclo(-Phe-D-Pro-Lys-(R)-b2hPhe-)","","C1CC2C(=O)NC(C(=O)NCC(C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCN","AIVCKLBXQILLHD-KEVKATSASA-N","16083381",NA,"PDBC33764","742381","Present"
-"Cyclo(D-Glu-D-Arg-L-Trp-D-Glu-D-Asp)","","","","","","","","","","","","","","","","","","","","Cyclo(D-Glu-D-Arg-L-Trp-D-Glu-D-Asp)","","C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CCCN=C(N)N)CCC(=O)O)CC(=O)O)CCC(=O)O","PWFDNTNQXNUWMW-CSEOROSGSA-N","390616",NA,"PDBC33765","688217","Present"
-"Cyclo(Tyr-Pro)","","","","","","","","","","","","","","","","","","","","Cyclo(Tyr-Pro)","","C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O","LSGOTAXPWMCUCK-UHFFFAOYSA-N","371682",NA,"PDBC33766","646120","Present"
-"Cyclo(leucylphenylalanylprolylvalylornithylleucylphenylalanylprolylvalylornithyl)","","","","","","","","","","","","","","","","","","","","GRAMICIDIN","","CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CC5=CC=CC=C5","IUAYMJGZBVDSGL-UHFFFAOYSA-N","3851247",NA,"PDBC33767","757043","Present"
-"Cyclo(tyrosyl-tyrosyl)","","","","","","","","","","","","","","","","","","","","Cyclo(tyr-tyr)","","C1=CC(=CC=C1CC2C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O)O","NGPCLOGFGKJCBP-UHFFFAOYSA-N","192816",NA,"PDBC33768","686960","Present"
-"Cyclo-C","","","","","","","","","","","","","","","","","","","","Cyclo-C","","CC(=O)O.C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N","LOALESLYJVZMHL-UHFFFAOYSA-N","279062",NA,"PDBC33769","129220","Present"
-"Cyclo-Tyr-Gly-Gly-Ala-Ala-Val","","","","","","","","","","","","","","","","","","","","Cyclo-Tyr-Gly-Gly-Ala-Ala-Val","","CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1)CC2=CC=C(C=C2)O)C(C)C)C","XMBYOZQFNHPCMB-UHFFFAOYSA-N","362685",NA,"PDBC33770","626920","Present"
-"Cycloalkannin","","","","","","","","","","","","","","","","","","","","Cycloalkannin///Cycloshikonin","","CC1(CCC(O1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C","ALRXDRQNAJOPCP-GFCCVEGCSA-N","375418",NA,"PDBC33771","301457///655105","Present"
-"Cycloart-23-ene-3beta,25-diol","","","","","","","","","","","","","","","","","","","","9,19-cycloart-23-ene-3.beta.,25-diol","","CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C","JSPGKOBNHWTKNT-CPGXJQKCSA-N","5470009",NA,"PDBC33772","695835","Present"
-"Cyclobenzaprine hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclobenzaprine Hydrochloride","","CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl","VXEAYBOGHINOKW-UHFFFAOYSA-N","22576",NA,"PDBC33773","78206","Present"
-"Cyclobutanemethanol, 1-[(2-amino-6-chloro-4-pyrimidinyl)aminomethyl]-3-(2-phenylethyl)-","","","","","","","","","","","","","","","","","","","","Cyclobutanemethanol, 1-[(2-amino-6-chloro-4-pyrimidinyl)...","","C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CCC3=CC=CC=C3","DEGVLBSOWCMLRE-UHFFFAOYSA-N","385232",NA,"PDBC33774","676345","Present"
-"Cyclobutanemethanol,5-diamino-4-chloro-6-pyrimidinyl)amino]methyl]-3-(2-phenylethyl)-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Cyclobutanemethanol, 1-[[(2,5-diamino-4-chloro-6-pyrimid...///NSC718377///NSC718378","","C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)CCC3=CC=CC=C3.Cl","VIAPFHALGCEHPL-UHFFFAOYSA-N","385251",NA,"PDBC33775","676363///718377///718378","Present"
-"Cyclobutanemethanol,5-diamino-6-chloro-4-pyrimidinyl)amino]methyl]-3-(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","Cyclobutanemethanol, 1-[[(2,5-diamino-6-chloro- 4-pyrimi...","","C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)CC3=CC=CC=C3.Cl","VRPJYIYQJCCLAE-UHFFFAOYSA-N","385249",NA,"PDBC33776","676362","Present"
-"Cyclobutanemethanol,5-diamino-6-pyrimidinyl)amino]methyl]-3-(2-phenylethyl)-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Cyclobutanemethanol, 1-[[(2,5-diamino-6-pyrimidinyl)amin...","","C1C(CC1(CNC2=NC(=NC=C2N)N)CO)CCC3=CC=CC=C3.Cl","YHDGQEFQSOTBNS-UHFFFAOYSA-N","385202",NA,"PDBC33777","676316","Present"
-"Cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-3,4,5,8-tetrahydro-1H-isoquinolin-2-yl]methanone","","","","","","","","","","","","","","","","","","","","5-{[2-(Cyclobutylcarbonyl)-6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-yl]methyl}-2-methoxyphenol","","COC1=CCC2=C(C1)CCN(C2CC3=CC(=C(C=C3)OC)O)C(=O)C4CCC4","MXJNEAKHSPRQHX-UHFFFAOYSA-N","401790",NA,"PDBC33778","715520","Present"
-"Cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]methanone","","","","","","","","","","","","","","","","","","","","Cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]methanone","","COC1=C(C=C(C=C1)CC2C3=C(CCN2C(=O)C4CCC4)CC5(CC3)OCCO5)O","FULWIOLQMIUKPJ-UHFFFAOYSA-N","401786",NA,"PDBC33779","715516","Present"
-"Cyclobuxoxine","","","","","","","","","","","","","","","","","","","","CYCLOBUXOXINE","","CC(=O)C1C(CC2(C1(CCC34C2CCC5C3(C4)CCC(C5=C)NC)C)C)O","KTASKRCJBXZGMH-UHFFFAOYSA-N","265755",NA,"PDBC33780","102243","Present"
-"Cyclocreatine","","","","","","","","","","","","","","","","","","","","Cyclocreatine","","C1CN(C(=N1)N)CC(=O)O","AMHZIUVRYRVYBA-UHFFFAOYSA-N","2896",NA,"PDBC33781","707961","Present"
-"Cyclodisone","","","","","","","","","","","","","","","","","","","","CYCLODISONE","","C1COS(=O)(=O)CS(=O)(=O)O1","RYIRMSRYCSMGJA-UHFFFAOYSA-N","57513",NA,"PDBC33782","348948","Present"
-"Cyclododecyl 3-(methylthio)phenylcarbamate","","","","","","","","","","","","","","","","","","","","Cyclododecyl 3-(methylthio)phenylcarbamate","","CSC1=CC=CC(=C1)NC(=O)OC2CCCCCCCCCCC2","SZWOHQOCXPXIKB-UHFFFAOYSA-N","311389",NA,"PDBC33783","216621","Present"
-"Cycloguanil hydrochloride","","","","","","","","","","","","","","","","","","","","Chlorazin","","CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl","MOUAPRKJJUXEIE-UHFFFAOYSA-N","9048",NA,"PDBC33784","3074","Present"
-"Cyclohepta[cd]benzofuran","","","","","","","","","","","","","","","","","","","","Cyclohepta[cd]benzofuran","","C1=CC2=C3C(=COC3=CC=C2)C=C1","LVPPKGKYUKHMAB-UHFFFAOYSA-N","387177",NA,"PDBC33785","680713","Present"
-"Cyclohepta[cd]benzofuran-6(2H)-one, 2a,3,4,5-tetrahydro-7-methoxy-","","","","","","","","","","","","","","","","","","","","Cyclohepta[cd]benzofuran-6(2H)-one, 2a,3,4,5-tetrahydro-7-methoxy-","","COC1=C2C(=O)CCCC3C2=C(C=C1)OC3","NRRJRNLDKNSCFO-UHFFFAOYSA-N","361612",NA,"PDBC33786","624797","Present"
-"Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester","","","","","","","","","","","","","","","","","","","","Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester","","CC(=O)CCC1(CCCCCC1=O)C(=O)OC","KFPSMQRDMYIJAZ-UHFFFAOYSA-N","396661",NA,"PDBC33787","703175","Present"
-"Cyclohex-2-en-1-yl 2-(1,3-dioxoisoindol-2-yl)acetate","","","","","","","","","","","","","","","","","","","","Cyclohex-2-en-1-yl 2-(1,3-dioxoisoindol-2-yl)acetate","","C1CC=CC(C1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O","ZHUUFKGRYKWCTF-UHFFFAOYSA-N","359225",NA,"PDBC33788","619934","Present"
-"Cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","Cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid","","CCCSCC(P(=O)(O)O)P(=O)(O)O.C1CCC(CC1)N","CYBBPRHFJOFCMN-UHFFFAOYSA-N","362651",NA,"PDBC33789","626867","Present"
-"Cyclohexanamine; (1-phosphonocyclopropyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","Cyclohexanamine; (1-phosphonocyclopropyl)phosphonic acid","","C1CCC(CC1)N.C1CC1(P(=O)(O)O)P(=O)(O)O","HGLMXORPHWHEEB-UHFFFAOYSA-N","370654",NA,"PDBC33790","644017","Present"
-"Cyclohexanamine; (2-phenylsulfanyl-1-phosphono-ethyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","Cyclohexanamine; (2-phenylsulfanyl-1-phosphono-ethyl)phosphonic acid","","C1CCC(CC1)N.C1=CC=C(C=C1)SCC(P(=O)(O)O)P(=O)(O)O","VLNXBHNYABSANK-UHFFFAOYSA-N","362649",NA,"PDBC33791","626866","Present"
-"Cyclohexanamine; 1-phosphonocyclopropanecarboxylic acid","","","","","","","","","","","","","","","","","","","","Cyclohexanamine; 1-phosphonocyclopropanecarboxylic acid","","C1CCC(CC1)N.C1CC1(C(=O)O)P(=O)(O)O","CEQDKEOSHKMPSW-UHFFFAOYSA-N","362647",NA,"PDBC33792","626864","Present"
-"Cyclohexanamine; 3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid","","","","","","","","","","","","","","","","","","","","Cyclohexanamine; 3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid","","C1CCC(CC1)N.C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O","BEHVQWOSCBISLG-UHFFFAOYSA-N","367583",NA,"PDBC33793","637416","Present"
-"Cyclohexanamine;(1-hydroxy-3-methylbutyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","Cyclohexanamine;(1-hydroxy-3-methylbutyl)phosphonic acid","","CC(C)CC(O)P(=O)(O)O.C1CCC(CC1)N","MUNKBGPKGSJUNX-UHFFFAOYSA-N","397392",NA,"PDBC33794","705134","Present"
-"Cyclohexanamine;[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","Cyclohexanamine;[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid","","C1CCC(CC1)N.C1=CC=C(C=C1)C=CC(O)P(=O)(O)O","FSDYHAPZUFGZDE-UHDJGPCESA-N","5470789",NA,"PDBC33795","705133","Present"
-"Cyclohexane-1,2-diamine;platinum(4+);selenite","","","","","","","","","","","","","","","","","","","","1,2-Diamino-cyclohexane-Pt-SeO3","","C1CCC(C(C1)N)N.[O-][Se](=O)[O-].[Pt+4]","BKPWVSBNDWXWJY-UHFFFAOYSA-L","24202320",NA,"PDBC33796","638728","Present"
-"Cyclohexane;1,3-diphenylpropane-1,3-dione;tin(4+)","","","","","","","","","","","","","","","","","","","","NSC644922","","C1CC[CH-]CC1.C1CC[CH-]CC1.C1CC[CH-]CC1.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Sn+4]","ZDMZJLQLUXJBIT-UHFFFAOYSA-N","371035",NA,"PDBC33797","644922","Present"
-"Cyclohexanecarbonitrile, 1-[(2-cyanocyclohexyl)amino]-","","","","","","","","","","","","","","","","","","","","Cyclohexanecarbonitrile, 1-[(2-cyanocyclohexyl)amino]-","","C1CCC(CC1)(C#N)NC2CCCCC2C#N","ZQPYNJHDXOORBF-UHFFFAOYSA-N","370368",NA,"PDBC33798","643433","Present"
-"Cyclohexanol, 1-benzo[b]thien-2-yl-","","","","","","","","","","","","","","","","","","","","Cyclohexanol, 1-benzo[b]thien-2-yl-","","C1CCC(CC1)(C2=CC3=CC=CC=C3S2)O","LNKGDUAAWGRNLT-UHFFFAOYSA-N","398367",NA,"PDBC33799","708084","Present"
-"Cyclohexanone, 2,6-bis[(1-pyrrolidinyl)methyl]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Cyclohexanone, 2,6-bis[(1-pyrrolidinyl)methyl]-, dihydro...","","C1CCN(C1)CC2CCCC(C2=O)CN3CCCC3.Cl","LDTHEELDCAJOJP-UHFFFAOYSA-N","380174",NA,"PDBC33800","665622","Present"
-"Cyclohexanone, dihydrochloride","","","","","","","","","","","","","","","","","","","","Cyclohexanone, 2-[(dimethylamino)methyl]-6-(piperidinome...","","CN(C)CC1CCCC(C1=O)CN2CCCCC2.Cl","JQZWLKOQZGPSAC-UHFFFAOYSA-N","382272",NA,"PDBC33801","38534","Present"
-"Cyclohexanone,6-bis(4-morpholinylmethyl)-,dihydrochloride","","","","","","","","","","","","","","","","","","","","2,6-bis(4-morpholinylmethyl)cyclohexanone,dihydrochloride","","C1CC(C(=O)C(C1)CN2CCOCC2)CN3CCOCC3.Cl","SCBXUVILBQDHCR-UHFFFAOYSA-N","373396",NA,"PDBC33802","38535","Present"
-"Cyclohexanone,6-bis[(dibenzylamino)methyl]-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Cyclohexanone, 2,6-bis[[bis(phenylmethy)amino]methyl]-,d...///NSC649639","","C1CC(C(=O)C(C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5.Cl","ZPZCMRZHPQFCLU-UHFFFAOYSA-N","373390",NA,"PDBC33803","38538///649639","Present"
-"Cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate","","CC1(OCCO1)CCC(=O)OC2CCCCC2","PDWWQBMZXPPOMZ-UHFFFAOYSA-N","243715",NA,"PDBC33804","53853","Present"
-"Cyclohexyl 5-amino-4-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Cyclohexyl 5-amino-4-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-5-oxopentanoate","","CC(C)CC(C(=O)NC(CCC(=O)OC1CCCCC1)C(=O)N)NC(=O)OC(C)(C)C","RVIKPCNMLYPRGL-UHFFFAOYSA-N","382700",NA,"PDBC33805","670348","Present"
-"Cyclohexyl N-(4-chlorophenyl)carbamodithioate","","","","","","","","","","","","","","","","","","","","Carbamodithioic acid, (4-chlorophenyl)-, cyclohexyl ester","","C1CCC(CC1)SC(=S)NC2=CC=C(C=C2)Cl","AABYDMFWAYJUCV-UHFFFAOYSA-N","3920487",NA,"PDBC33806","306916","Present"
-"Cyclohexyl diethylcarbamo(dithioperoxo)thioate","","","","","","","","","","","","","","","","","","","","cyclohexyl diethylcarbamo(dithioperoxo)thioate","","CCN(CC)C(=S)SSC1CCCCC1","HPWDEMOJNYTTFK-UHFFFAOYSA-N","46197114",NA,"PDBC33807","749794","Present"
-"Cyclohexylamine hydrobromide","","","","","","","","","","","","","","","","","","","","Cyclohexamine, Hydrobromide salt","","C1CCC(CC1)N.Br","QOHWJRRXQPGIQW-UHFFFAOYSA-N","117303",NA,"PDBC33808","613661","Present"
-"Cyclohexylmethanamine;cyclohexylmethylcarbamic acid","","","","","","","","","","","","","","","","","","","","Cyclohexylmethanamine;cyclohexylmethylcarbamic acid","","C1CCC(CC1)CN.C1CCC(CC1)CNC(=O)O","GCDRSMRLAAOGCB-UHFFFAOYSA-N","231799",NA,"PDBC33809","28527","Present"
-"Cycloleucine","","","","","","","","","","","","","","","","","","","","acpc","","C1CCC(C1)(C(=O)O)N","NILQLFBWTXNUOE-UHFFFAOYSA-N","2901",NA,"PDBC33810","1026","Present"
-"Cyclomethylenomycin A","","","","","","","","","","","","","","","","","","","","Cyclomethylenomycin A","","CC12C3C(COC3=O)C(=O)C1(O2)C","RFDCJNGGZLEIHA-UHFFFAOYSA-N","325631",NA,"PDBC33811","294708","Present"
-"Cycloocta-1,5-diene;iridium;trimethylphosphanium;chloride","","","","","","","","","","","","","","","","","","","","Cycloocta-1,5-diene;iridium;trimethylphosphanium;chloride","","C[PH+](C)C.C[PH+](C)C.C[PH+](C)C.C1CC=CCCC=C1.[Cl-].[Ir]","ODUMXGNMXMLLHF-UHFFFAOYSA-P","54611278",NA,"PDBC33812","625569","Present"
-"Cycloocta[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,8,9,9a,14,14b-decahydro-2-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","4-(4-Methoxyphenyl)-4,22-diazapentacyclo[13.7.0.02,6.07,14.016,21]docosa-1(15),16,18,20-tetraene-3,5-dione","","COC1=CC=C(C=C1)N2C(=O)C3C4CCCCCCC4C5=C(C3C2=O)NC6=CC=CC=C65","JTSCEXJIZOCYPM-UHFFFAOYSA-N","373642",NA,"PDBC33813","650362","Present"
-"Cyclopenin","","","","","","","","","","","","","","","","","","","","Cyclopenin","","CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC=CC=C4","APLKWZASYUZSBL-XPCCGILXSA-N","354160",NA,"PDBC33814","604989","Present"
-"Cyclopenol","","","","","","","","","","","","","","","","","","","","Cyclopenol","","CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC(=CC=C4)O","BDDNYDPRCCDQQJ-XPCCGILXSA-N","354161",NA,"PDBC33815","604990","Present"
-"Cyclopent-3-en-1-yl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","RRAUUFGVZBARFB-UHFFFAOYSA-N","","CC1=CC=C(C=C1)S(=O)(=O)OC2CC=CC2","RRAUUFGVZBARFB-UHFFFAOYSA-N","357673",NA,"PDBC33816","617190","Present"
-"Cyclopenta-1,3-diene;3-[cyclopenta-1,4-dien-1-yl-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one;iron(2+)","","","","","","","","","","","","","","","","","","","","Cyclopenta-1,3-diene;3-[cyclopenta-1,4-dien-1-yl-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one;iron(2+)","","","","",NA,"PDBC33817","686387","Present"
-"Cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl-[2-(cyclopenta-1,4-dien-1-ylmethylazanidyl)ethyl]azanide;dichloroplatinum(2+);iron(2+)","","","","","","","","","","","","","","","","","","","","Cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl-[2-(cyclopenta-1,4-dien-1-ylmethylazanidyl)ethyl]azanide;dichloroplatinum(2+);iron(2+)","","","","",NA,"PDBC33818","625197","Present"
-"Cyclopenta[a]naphthalen-3-one","","","","","","","","","","","","","","","","","","","","cyclopenta[a]naphthalen-3-one","","C1=CC=C2C(=C1)C=CC3=C2C=CC3=O","OHLWLEWXJYNHQM-UHFFFAOYSA-N","21218162",NA,"PDBC33819","727347","Present"
-"Cyclopenta[c]thiophen-4-one","","","","","","","","","","","","","","","","","","","","4h-Cyclopenta[c]thiophen-4-one","","C1=CC(=O)C2=CSC=C21","KVCZYLMNMFQLIH-UHFFFAOYSA-N","396933",NA,"PDBC33820","704116","Present"
-"Cyclopenta[c]thiophen-4-one,3-dibromo-5-hydroxy-, (cis)-, hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopenta[c]thiophen-4-one, 6-amino-1,3-dibromo- 5-hydr...","","C1(C(C(=O)C2=C(SC(=C21)Br)Br)O)N.Cl","VEFZBHDUIVKTJW-WINKWTMZSA-N","378558",NA,"PDBC33821","661196","Present"
-"Cyclopenta[c]thiophene-4,5,6-trione","","","","","","","","","","","","","","","","","","","","Cyclopenta[c]thiophene-4,5,6-trione","","C1=C2C(=CS1)C(=O)C(=O)C2=O","OWIHAGLFTZHUAW-UHFFFAOYSA-N","398918",NA,"PDBC33822","709152","Present"
-"Cyclopentane-1,3-trione 2-3',5'-dichlorophenyl hydrazone","","","","","","","","","","","","","","","","","","","","Cyclopentane-1,2,3-trione 2-3',5'-dichlorophenyl hydrazone","","C1CC(=O)C(=C1O)N=NC2=CC(=CC(=C2)Cl)Cl","IFMDOIUKRLLSGS-UHFFFAOYSA-N","135503399",NA,"PDBC33823","622002","Present"
-"Cyclopentane-1,3-trione 2-p-methoxyphenylhydrazone","","","","","","","","","","","","","","","","","","","","Cyclopentane-1,2,3-trione 2-p-methoxyphenylhydrazone","","COC1=CC=C(C=C1)N=NC2=C(CCC2=O)O","BWQWNMGNCWVGMR-UHFFFAOYSA-N","135503400",NA,"PDBC33824","622004","Present"
-"Cyclopentane-1,3-trione 2-phenylhydrazone","","","","","","","","","","","","","","","","","","","","Cyclopentane-1,2,3-trione 2-phenylhydrazone","","C1CC(=O)C(=C1O)N=NC2=CC=CC=C2","YWZWMVONPIUVCC-UHFFFAOYSA-N","135495903",NA,"PDBC33825","622003","Present"
-"Cyclopentane; 2-cyclopentylacetic acid; dichloroiron","","","","","","","","","","","","","","","","","","","","Cyclopentane; 2-cyclopentylacetic acid; dichloroiron","","","","",NA,"PDBC33826","608973","Present"
-"Cyclopentane; 3-cyclopentylpropanoic acid; dichloroiron","","","","","","","","","","","","","","","","","","","","Cyclopentane; 3-cyclopentylpropanoic acid; dichloroiron","","","","",NA,"PDBC33827","608974","Present"
-"Cyclopentane; dichloro(dichloroferriooxy)iron; dichloroiron","","","","","","","","","","","","","","","","","","","","Cyclopentane; dichloro(dichloroferriooxy)iron; dichloroiron","","","","",NA,"PDBC33828","608972","Present"
-"Cyclopentanecarboxcylic acid, monohydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanecarboxcylic acid, 1-[(aminoacetyl)amino]-, m...","","C1CCC(C1)(C(=O)O)NC(=O)CN.Cl","OAPCDPLXOSIBBF-UHFFFAOYSA-N","24837232",NA,"PDBC33829","66796","Present"
-"Cyclopentaneethanol, 1A,2A,4A(E)","","","","","","","","","","","","","","","","","","","","Cyclopentaneethanol, 3-[1-(2-aminophenyl)ethenyl]-.alpha...","","CC=C(CO)C1CC(C(C1)(C(=C)C2=CC=CC=C2N)O)NCC3=CC=CC=C3","FOVDKDBHNLNUIY-WRHPGBTQSA-N","11969729",NA,"PDBC33830","617189","Present"
-"Cyclopentanemethanaminium, N,N,N-trimethyl-2-oxo-, iodide","","","","","","","","","","","","","","","","","","","","Cyclopentanemethanaminium, N,N,N-trimethyl-2-oxo-, iodide","","C[N+](C)(C)CC1CCCC1=O.[I-]","XGYPQXHXWPLYIF-UHFFFAOYSA-M","360085",NA,"PDBC33831","621889","Present"
-"Cyclopentanone (2-chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)hydrazone","","","","","","","","","","","","","","","","","","","","Cyclopentanone (2-chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)hydrazone","","C1CCC(=NNC(C(F)(F)Cl)(C(F)(F)Cl)O)C1","YJLZARZNOOBWLO-UHFFFAOYSA-N","377646",NA,"PDBC33832","659224","Present"
-"Cyclopentanone, (E)-, hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-heptylidene-5-(1-pyrrolidinylmethyl)-,...","","CCCCCCC=C1CCC(C1=O)CN2CCCC2.Cl","INFJGXMCBQDLQE-NSPIFIKESA-N","54608101",NA,"PDBC33833","639979","Present"
-"Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4-chlorophenyl)methylene]-","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4- c...","","C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C1CNC3=CC=C(C=C3)Cl","JOAUFDHOAGJLJG-SDNWHVSQSA-N","5927311",NA,"PDBC33834","639543","Present"
-"Cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]-hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]-...","","CCCCC=C1CCC(C1=O)CN2CCCCC2.Cl","ZGHVKKQXNMIIGL-XHIXCECLSA-N","54608096",NA,"PDBC33835","639501","Present"
-"Cyclopentanone,1-dimethylethyl)silyl]oxy]-","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 3-[3-[(2-methoxyethoxy)methoxy]oct-1-eny...","","CCCCCC(C=CC1CC(=O)CC1O[Si](C)(C)C(C)(C)C)OCOCCOC","UOHYGYKCCYPZLJ-AGSKSTGOSA-N","5351437",NA,"PDBC33836","689228","Present"
-"Cyclopentanone,3-benzodioxol-5-ylmethylene)-, hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-5-(1,3- benzod...","","CN(C)CC1CCC(=CC2=CC3=C(C=C2)OCO3)C1=O.Cl","VASGZDQVUKDLCZ-RRAJOLSVSA-N","21141939",NA,"PDBC33837","639515","Present"
-"Cyclopentanone,4-dimethoxyphenyl)methylene]-, hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(3,4- dimet...","","CN(C)CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C1=O.Cl","MOXLWOCZURQQRY-KJEVSKRMSA-N","21141940",NA,"PDBC33838","639516","Present"
-"Cyclopentanone,5-bis[(dimethylamino)methyl]-, cis-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2,5-bis[(dimethylamino)methyl]-, cis-, d...","","CN(C)CC1CCC(C1=O)CN(C)C.Cl","ZVXGOLVRKYRGHM-JMVWIVNTSA-N","11969936",NA,"PDBC33839","640391","Present"
-"Cyclopentanone,5-bis[(trimethylamino)methyl]-, iodide","","","","","","","","","","","","","","","","","","","","cyclopentanone, 2,5-bis[(trimethylamino)methyl]-, iodide","","C[N+](C)(C)CC1CCC(C1=O)C[N+](C)(C)C.[I-]","XZDUCKVDLVJZIK-UHFFFAOYSA-M","360925",NA,"PDBC33840","623639","Present"
-"Cyclopentenyl cytosine","","","","","","","","","","","","","","","","","","","","Cyclopentenyl Cytosine","","C1=CN(C(=O)N=C1N)C2C=C(C(C2O)O)CO","DUJGMZAICVPCBJ-VDAHYXPESA-N","72828",NA,"PDBC33841","375575","Present"
-"Cyclopentenyluracil","","","","","","","","","","","","","","","","","","","","CYCLOPENTENYLURACIL","","C1=CN(C(=O)NC1=O)C2C=C(C(C2O)O)CO","FCWVOJUKQSHZIV-VDAHYXPESA-N","128937",NA,"PDBC33842","375574","Present"
-"Cyclopentyl (1-hydroxycyclohexyl)acetate","","","","","","","","","","","","","","","","","","","","Cyclopentyl (1-hydroxycyclohexyl)acetate","","C1CCC(CC1)(CC(=O)OC2CCCC2)O","RABXJVNSGMBEBF-UHFFFAOYSA-N","245396",NA,"PDBC33843","57345","Present"
-"Cyclopentyl(trimethyl)silane; dichloroniobium","","","","","","","","","","","","","","","","","","","","Cyclopentyl(trimethyl)silane; dichloroniobium","","","","",NA,"PDBC33844","645758","Present"
-"Cyclopropane-1,1,2,2-tetracarboxylic acid","","","","","","","","","","","","","","","","","","","","cyclopropane-1,1,2,2-tetracarboxylic acid","","C1C(C1(C(=O)O)C(=O)O)(C(=O)O)C(=O)O","FGQOVSPPSXYIBT-UHFFFAOYSA-N","380819",NA,"PDBC33845","666541","Present"
-"Cyclopropane-1,1-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","Vinaconic acid","","C1CC1(C(=O)O)C(=O)O","FDKLLWKMYAMLIF-UHFFFAOYSA-N","69017",NA,"PDBC33846","626865","Present"
-"Cyclopropyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-3,4,5,8-tetrahydro-1H-isoquinolin-2-yl]methanone","","","","","","","","","","","","","","","","","","","","5-{[2-(Cyclopropylcarbonyl)-6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-yl]methyl}-2-methoxyphenol","","COC1=CCC2=C(C1)CCN(C2CC3=CC(=C(C=C3)OC)O)C(=O)C4CC4","YTBOZXIBRPTTQO-UHFFFAOYSA-N","401788",NA,"PDBC33847","715518","Present"
-"Cyclopropylmethyl amide analog., 28","","","","","","","","","","","","","","","","","","","","GW734508X","","CC1=NN=C(O1)C2=CC=CC(=C2)C3=CC=C(C=C3)C(=O)NCC4CC4","LOQFPSAYBYTGOA-UHFFFAOYSA-N","25093474",NA,"PDBC33848","756329","Present"
-"Cycloprotobuxine C","","","","","","","","","","","","","","","","","","","","Alkaloid L","","CC(C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)NC)C)C)N(C)C","PLKVWYPBRRRIQG-QGSMACLHSA-N","265756",NA,"PDBC33849","102244","Present"
-"Cyclopyrethrosin","","","","","","","","","","","","","","","","","","","","Cyclopyrethrosin","","CC(=O)OC1C2C(CC3(C1C(=C)CCC3O)C)OC(=O)C2=C","IGJIZPZJCAPPBP-YQCBVSTRSA-N","279214",NA,"PDBC33850","129518","Present"
-"Cydectin","","","","","","","","","","","","","","","","","","","","moxidectin (usan)","","CC1CC(=CCC2CC(CC3(O2)CC(=NOC)C(C(O3)C(=CC(C)C)C)C)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C","YZBLFMPOMVTDJY-CBYMMZEQSA-N","16760141",NA,"PDBC33851","760424","Present"
-"Cymarine","","","","","","","","","","","","","","","","","","","","cymarin","","CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O","XQCGNURMLWFQJR-CISXATDNSA-N","222155",NA,"PDBC33852","7522","Present"
-"Cynodontin","","","","","","","","","","","","","","","","","","","","cynodontin","","CC1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O","NFQXCHAJWVRYND-UHFFFAOYSA-N","10148",NA,"PDBC33853","114343","Present"
-"Cyssor I","","","","","","","","","","","","","","","","","","","","NSC328394","","CC1=CC(=NC(=O)CBr)C=CC1=NS(=O)(=O)C2=CC=CC=C2","KBZGGWYMBUCHAU-PPMFUXQFSA-N","9573790",NA,"PDBC33854","328394","Present"
-"Cystamine hydrochloride","","","","","","","","","","","","","","","","","","","","cystamine hydrochloride///Cystamine 2HCL","","C(CSSCCN)N.Cl","NULDEVQACXJZLL-UHFFFAOYSA-N","167628",NA,"PDBC33855","39322///613802","Present"
-"Cysteine, N-acetyl-S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-","","","","","","","","","","","","","","","","","","","","Cysteine, N-acetyl-S-[(4-aminocarbonyl-1H-imidazol-5-yl)...","","CC(=O)NC(CSN=NC1=C(NC=N1)C(=O)N)C(=O)O","PLDBJHKVWNUEQW-CCEZHUSRSA-N","135493932",NA,"PDBC33856","684054","Present"
-"Cysteine, S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-","","","","","","","","","","","","","","","","","","","","Cysteine, S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-","","C1=NC(=C(N1)C(=O)N)N=NSCC(C(=O)O)N","OZJYOELRWINQGB-OUKQBFOZSA-N","135493928",NA,"PDBC33857","684043","Present"
-"Cystine","","","","","","","","","","","","","","","","","","","","cystine (usan)","","C(C(C(=O)O)N)SSCC(C(=O)O)N","LEVWYRKDKASIDU-UHFFFAOYSA-N","595",NA,"PDBC33858","755897","Present"
-"Cystine, N-2-propynyl-","","","","","","","","","","","","","","","","","","","","Cystine, N-2-propynyl-","","C#CCNC(CSSCC(C(=O)O)N)C(=O)O","NZBAHLNNCRBXEZ-UHFFFAOYSA-N","392174",NA,"PDBC33859","692227","Present"
-"Cystothiazole A","","","","","","","","","","","","","","","","","","","","Cystothiazole A","","CC(C)C1=NC(=CS1)C2=NC(=CS2)C=CC(C(C)C(=CC(=O)OC)OC)OC","LRTJMINIVSPVMX-ZVJWTWILSA-N","5470965",NA,"PDBC33860","706999","Present"
-"Cytallene","","","","","","","","","","","","","","","","","","","","N1-(4-hydroxy-1,2-butadien-1-yl)-cytosine (cytallene)","","C1=C[N+](=CC=CCO)C(=NC1=N)[O-]","GHTIVOZHSNRAAW-JZXVYGCJSA-N","135436546",NA,"PDBC33861","626923","Present"
-"Cytidine, monohydrochloride","","","","","","","","","","","","","","","","","","","","Cytosine deoxy nucleoside hydrochloride","","C1C(C(OC1N2C=CC(=NC2=O)N)CO)O.Cl","LTKCXZGFJFAPLY-UHFFFAOYSA-N","22713284",NA,"PDBC33862","83251","Present"
-"Cytidine,3'-O-(dibutylstannylene)-","","","","","","","","","","","","","","","","","","","","Cytidine, 2',3'-O-(dibutylstannylene)-","","CCCC[Sn]1(OC2C(OC(C2O1)N3C=CC(=NC3=O)N)CO)CCCC","USALKYCONOYHAU-UHFFFAOYSA-N","16683813",NA,"PDBC33863","263611","Present"
-"Cyto4C6","","","","","","","","","","","","","","","","","","","","NSC794586","","C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)F","UCBXFYUXJKITGU-UHFFFAOYSA-N","2810424",NA,"PDBC33864","794586","Present"
-"Cyto4F10","","","","","","","","","","","","","","","","","","","","Cyto4F10","","C1=CC=C(C=C1)C(=C2C=CC(=NO)C(=C2)Br)C#N","TYXFBKRRSUTTPT-VPJURZAQSA-N","5715129",NA,"PDBC33865","143342","Present"
-"Cyto6F11","","","","","","","","","","","","","","","","","","","","Cyto6F11","","C1CN(CCN1CCCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])CCCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)[N+](=O)[O-]","OYNMPOBOWPMEKI-UHFFFAOYSA-N","364089",NA,"PDBC33866","629730","Present"
-"Cyto8B7","","","","","","","","","","","","","","","","","","","","Cyto8B7","","COC1=C(C=C(C=C1)CCN2C(=O)C=CC2=O)OC","VTEURHGUCFTVGM-UHFFFAOYSA-N","282938",NA,"PDBC33867","137049","Present"
-"Cyto8F8","","","","","","","","","","","","","","","","","","","","Cyto8F8","","C1=CC=C(C=C1)C(=O)CC(C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=CC=C3N","HBSFQQKLTZDQKW-UHFFFAOYSA-N","300907",NA,"PDBC33868","176390","Present"
-"Cyto9E5","","","","","","","","","","","","","","","","","","","","Cyto9E5","","COC1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N","CDNLWJKHJRCMDV-UHFFFAOYSA-N","346838",NA,"PDBC33869","405166","Present"
-"Cyto9H5","","","","","","","","","","","","","","","","","","","","Cyto9H5","","C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SC3=CC=CC=C3N","GOZMYDAYGPERLQ-UHFFFAOYSA-N","340720",NA,"PDBC33870","371777","Present"
-"Cytoblastin","","","","","","","","","","","","","","","","","","","","Cytoblastin","","CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1C)C(C4=CNC5=CC=CC=C54)C(CO)O)CO","NXVPLRFWXAISBZ-UHFFFAOYSA-N","132024",NA,"PDBC33871","654239","Present"
-"Cytochalasin A","","","","","","","","","","","","","","","","","","","","Cytochalasin A","","CC1CCC(=O)CC=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O","OVJHDZBUADTCNV-GUZOQHLSSA-N","5475995",NA,"PDBC33872","174119","Present"
-"Cytochalasin e","","","","","","","","","","","","","","","","","","","","Cytochalasin E","","CC1CC=CC2C3C(O3)(C(C4C2(C(=O)NC4CC5=CC=CC=C5)OC(=O)OC=CC(C1=O)(C)O)C)C","LAJXCUNOQSHRJO-ZYGJITOWSA-N","5458385",NA,"PDBC33873","175151","Present"
-"Cytosine arabinoside monophosphate","","","","","","","","","","","","","","","","","","","","cytosine arabinoside monophosphate","","C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","IERHLVCPSMICTF-UHFFFAOYSA-N","314",NA,"PDBC33874","99445","Present"
-"Cytosine, 1beta-D-arabinofuranosyl-N(sup 4)-lauroyl-","","","","","","","","","","","","","","","","","","","","Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-lauroyl-","","CCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","DIQMOLNTZYUDBX-UHFFFAOYSA-N","317642",NA,"PDBC33875","250686","Present"
-"Cytosine, 1beta-D-arabinofuranosyl-N(sup 4)-palmitoyl-","","","","","","","","","","","","","","","","","","","","Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-palmitoyl-","","CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","XEFNBUBDJCJOGM-UHFFFAOYSA-N","317641",NA,"PDBC33876","250684","Present"
-"Cytosine, 1beta-D-arabinofuranosyl-N(sup 4)-stearoyl-","","","","","","","","","","","","","","","","","","","","Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-stearoyl-","","CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","ATYCGJJMRABBKG-UHFFFAOYSA-N","304673",NA,"PDBC33877","201290","Present"
-"Cytosine, 2',3',5'-tributyrate","","","","","","","","","","","","","","","","","","","","Cytosine, 1-.beta.-D-arabinofuranosyl-, 2',3',5'-tributy...","","CCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)CCC)OC(=O)CCC","ABSMYRQJATYHGU-UHFFFAOYSA-N","283562",NA,"PDBC33878","138429","Present"
-"Cytostatin","","","","","","","","","","","","","","","","","","","","Cytostatin","","CC=CC=CC=CC(C(C)C(CCC(C)C1C(C=CC(=O)O1)C)OP(=O)(O)O)O.[Na+]","DXWSCXWALSKXSD-ZHCXJCEOSA-N","54608857",NA,"PDBC33879","675266","Present"
-"Cytovaricin","","","","","","","","","","","","","","","","","","","","Cytovaricin","","CCC(CC1C(CCC2(O1)CC3C(C(O2)CC4(C(CC(CO4)C)C=CCCCC(C(C(C(C(C(C(C=CC(=O)O3)(C)O)O)C)O)OC5CC(C(C(O5)C)O)OC)O)(C)O)O)C)C)O","NORZLTHXFWGSAT-IMOQJAIBSA-N","5477715",NA,"PDBC33880","349622","Present"
-"D 15413","","","","","","","","","","","","","","","","","","","","D 15413","","CCN1C(=CC2=C1C=C(C=C2Cl)O)C3=C(C=C(C=C3Cl)O)Cl","ZATDYQOGSPTLBG-UHFFFAOYSA-N","54995",NA,"PDBC33881","370875","Present"
-"D 2928","","","","","","","","","","","","","","","","","","","","D 2928","","CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCNCC(C4=CC(=C(C=C4)O)O)O","XTDJYRRJDWTRSJ-UHFFFAOYSA-N","431464",NA,"PDBC33882","293895","Present"
-"D 4735","","","","","","","","","","","","","","","","","","","","D 4735","","CN1CN(C(=S)SC1)CC2=CC=CC=C2","BFLHJRCTMSBRPJ-UHFFFAOYSA-N","99221",NA,"PDBC33883","201646","Present"
-"D 54","","","","","","","","","","","","","","","","","","","","D 54","","CC1(N=C(N=C(N1C2=CC(=C(C=C2)Cl)Cl)N)N)C.Cl","QNPHBRAPEGFQDV-UHFFFAOYSA-N","16207143",NA,"PDBC33884","3077","Present"
-"D&C Orange No. 4","","","","","","","","","","","","","","","","","","","","orange y","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)O.[Na+]","CQPFMGBJSMSXLP-UHFFFAOYSA-N","135436533",NA,"PDBC33885","9853","Present"
-"D,L-4-Fluoro-.alpha.-methyl-tryptophan","","","","","","","","","","","","","","","","","","","","D,L-4-Fluoro-.alpha.-methyl-tryptophan","","CC(CC1=CNC2=C1C(=CC=C2)F)(C(=O)O)N","GOQMNBZWSVBUEU-UHFFFAOYSA-N","155809897",NA,"PDBC33886","760801","Present"
-"D-Allitol,4-dideoxy-1,4-imino","","","","","","","","","","","","","","","","","","","","D-Allitol, 1,4-dideoxy-1,4-imino","","C1C(C(C(N1)C(CO)O)O)O.Cl","IFRNNJQXHHLGKS-MNWXWFOHSA-N","377334",NA,"PDBC33887","658772","Present"
-"D-Amygdalin","","","","","","","","","","","","","","","","","","","","NSC251222","","C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O","XUCIJNAGGSZNQT-UHFFFAOYSA-N","2180",NA,"PDBC33888","251222","Present"
-"D-Arabinose, 5-O-trityl-tribenzoate","","","","","","","","","","","","","","","","","","","","u-22265","","C1=CC=C(C=C1)C(=O)OC(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C(C=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","BBRNKMTYXKXVBD-UHFFFAOYSA-N","265952",NA,"PDBC33889","102810","Present"
-"D-Azaserine","","","","","","","","","","","","","","","","","","","","NSC758188","","C(C(C(=O)O)N)OC(=O)C=[N+]=[N-]","MZZGOOYMKKIOOX-UHFFFAOYSA-N","830",NA,"PDBC33890","758188","Present"
-"D-ERYTHRO-L-TALO-OCTONIC ACID, .GAMMA.-LACTONE","","","","","","","","","","","","","","","","","","","","D-ERYTHRO-L-TALO-OCTONIC ACID, .GAMMA.-LACTONE","","C(C(C(C(C1C(C(C(=O)O1)O)O)O)O)O)O","NUYDBDGECBIUPJ-UHFFFAOYSA-N","219893",NA,"PDBC33891","1684","Present"
-"D-Erythro-Hex-2-enonic acid, gamma-lactone","","","","","","","","","","","","","","","","","","","","erycorbin","","C(C(C1C(=C(C(=O)O1)O)O)O)O","CIWBSHSKHKDKBQ-UHFFFAOYSA-N","54676860",NA,"PDBC33892","8117","Present"
-"D-F5Phe-Glu-Trp-Ala-Val-Gly-His-Leu-OMe","","","","","","","","","","","","","","","","","","","","D-F5Phe-Glu-Trp-Ala-Val-Gly-His-Leu-OMe","","CC(C)CC(C(=O)OC)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=C(C(=C(C(=C4F)F)F)F)F)N","NPBTURXVEWXTKJ-UHFFFAOYSA-N","365719",NA,"PDBC33893","633659","Present"
-"D-Friedoolean-14-en-3-one","","","","","","","","","","","","","","","","","","","","Taraxerone","","CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C","DBCAVZSSFGIHQZ-KGSLAXPJSA-N","392170",NA,"PDBC33894","692217","Present"
-"D-Fructofuranosylamine, 1-deoxy-1-[(4-methylphenyl)amino]-N-(phenylmethylene)-","","","","","","","","","","","","","","","","","","","","d-fructose, 2-benzylideneamino-1,2-dideoxy-1-p-toluidino-","","CC1=CC=C(C=C1)NCC2(C(C(C(O2)CO)O)O)N=CC3=CC=CC=C3","ZNMOICNZBWEVDS-SSDVNMTOSA-N","9561351",NA,"PDBC33895","47582","Present"
-"D-Galactose trimethylene dithioacetal","","","","","","","","","","","","","","","","","","","","NSC699025","","C1CSC(SC1)C(C(C(C(CO)O)O)O)O","JDZPNIUYDWENDQ-VGRMVHKJSA-N","394924",NA,"PDBC33896","699025","Present"
-"D-Glucose, [4-[(4-chlorophenyl)methylene]-5-oxo-2-imidazolidinylidene]hydrazone","","","","","","","","","","","","","","","","","","","","D-Glucose, [4-[(4-chlorophenyl)methylene]-5-oxo- 2-imida...","","C1=CC(=CC=C1C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O)Cl","FBQZTHBJNAZPRM-OUDFIRDYSA-N","135505127",NA,"PDBC33897","685272","Present"
-"D-Mannaric acid, 1,4:3,6-dilactone","","","","","","","","","","","","","","","","","","","","D-Mannaric acid, 1,4:3,6-dilactone","","C12C(C(C(=O)O1)O)OC(=O)C2O","QRFNDAVXJCGLFB-UHFFFAOYSA-N","137758",NA,"PDBC33898","133611","Present"
-"D-Mannitol,6-bis[bis(2-chloroethyl)amino]-1,6-dideoxy-, dihydrochloride","","","","","","","","","","","","","","","","","","","","D-Mannitol, 1,6-bis[bis(2-chloroethyl)amino]-1,6-dideoxy...","","C(CCl)N(CCCl)CC(C(C(C(CN(CCCl)CCCl)O)O)O)O.Cl","NUAOMEHHMOBQBH-UHFFFAOYSA-N","24186421",NA,"PDBC33899","50076","Present"
-"D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-ThrNH2","","","","","","","","","","","","","","","","","","","","D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-ThrNH2","","CC(C)C(C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CS)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)N","UGVPPRZHXAMSJP-UHFFFAOYSA-N","365716",NA,"PDBC33900","633656","Present"
-"D-Phe-Ala-Tyr-D-Trp-Lys-Val-Ala-D-Nal NH2","","","","","","","","","","","","","","","","","","","","D-Phe-Ala-Tyr-D-Trp-Lys-Val-Ala-D-Nal NH2","","CC(C)C(C(=O)NC(C)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C)NC(=O)C(CC6=CC=CC=C6)N","UBUDXEAGRDGVRC-UHFFFAOYSA-N","365718",NA,"PDBC33901","633658","Present"
-"D-Phe-Cpa-Tyr-D-Trp-Lys-Thr-Phe-Thr-NH2","","","","","","","","","","","","","","","","","","","","D-Phe-Cpa-Tyr-D-Trp-Lys-Thr-Phe-Thr-NH2","","CC(C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC=CC=C6)N)O","HZUFJLNYZNGZLC-UHFFFAOYSA-N","365721",NA,"PDBC33902","633662","Present"
-"D-Phe-Cys-Tyr-D-Trp-Lys-Ser-Cys-THr NH2","","","","","","","","","","","","","","","","","","","","D-Phe-Cys-Tyr-D-Trp-Lys-Ser-Cys-THr NH2","","CC(C(C(=O)N)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CS)NC(=O)C(CC4=CC=CC=C4)N)O","JNYXWLNXPFJNJX-UHFFFAOYSA-N","365717",NA,"PDBC33903","633657","Present"
-"D-Phe-Glu-Trp-Ala-Val-D-Ala-His-Leu-Leu-NH2","","","","","","","","","","","","","","","","","","","","D-Phe-Glu-Trp-Ala-Val-D-Ala-His-Leu-Leu-NH2","","CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=CC=C4)N","SRDPWPGQMNMUMI-UHFFFAOYSA-N","365720",NA,"PDBC33904","633660","Present"
-"D-Phe-Glu-Trp-Ala-Val-Gly-His-Leu-psiCH2NH-Cpa-NH2","","","","","","","","","","","","","","","","","","","","D-Phe-Glu-Trp-Ala-Val-Gly-His-Leu-.psi.CH2NH-Cpa-NH2","","CC(C)CC(CNC(CC1=CC=C(C=C1)Cl)C(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)O)NC(=O)C(CC5=CC=CC=C5)N","AVMVLQSSGZZCQF-UHFFFAOYSA-N","365722",NA,"PDBC33905","633663","Present"
-"D-Valine,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,6,7,8,9,11a,12,13,14,14a-decahydro-13-hydroxy-6-methyl-4-oxo-1H-cyclopent[f]oxacyclotridecin-1-yl ester, hydrochloride","","","","","","","","","","","","","","","","","","","","D-Valine, N,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,...","","CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)OC(=O)C(C(C)C)N(C)C)O.Cl","KGJLAKCYINPKMC-PKOYAMDNSA-N","45028997",NA,"PDBC33906","745103","Present"
-"D-Xylo-5-hexulosonic acid, calcium salt","","","","","","","","","","","","","","","","","","","","D-XYLO-5-HEXULOSONIC ACID, CALCIUM SALT","","C(C(=O)C(C(C(C(=O)O)O)O)O)O.[Ca+2]","TXCXKRTUTISVGF-UHFFFAOYSA-N","3083804",NA,"PDBC33907","1694","Present"
-"DA-08409","","","","","","","","","","","","","","","","","","","","DA-08409","","CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC(=C(C(=C3)OC)OC)OC","YGWWRSBEIOZARC-UHFFFAOYSA-N","382846",NA,"PDBC33908","670676","Present"
-"DA-09193","","","","","","","","","","","","","","","","","","","","DA-09193","","CCOC(=O)C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F","IWLMVDYPZUGUSQ-UHFFFAOYSA-N","361039",NA,"PDBC33909","623773","Present"
-"DA-29583","","","","","","","","","","","","","","","","","","","","DA-29583","","C1CC(C2=CC=CC=C2C1=O)(CCC(=O)O)C(=O)O","VZMPBOYMHBGQPT-UHFFFAOYSA-N","226654",NA,"PDBC33910","17338","Present"
-"DA-34354","","","","","","","","","","","","","","","","","","","","DA-34354","","CCOC(=O)C1=C(N=C(S1)N)N2CCCC2","ZVFCCMMIGSISBT-UHFFFAOYSA-N","382960",NA,"PDBC33911","670864","Present"
-"DAB389 IL-6, first 386 amino acid residues of diptheria ...","","","","","","","","","","","","","","","","","","","","DAB389 IL-6, first 386 amino acid residues of diptheria ...","","","","",NA,"PDBC33912","695946","Present"
-"DAMPA Ethyl Ester","","","","","","","","","","","","","","","","","","","","DAMPA Ethyl Ester","","CCOC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","BDYWKUSEZMEPPR-UHFFFAOYSA-N","393093",NA,"PDBC33913","694477","Present"
-"DAURICINE","","","","","","","","","","","","","","","","","","","","DAURICINE","","CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC","AQASRZOCERRGBL-UHFFFAOYSA-N","235244",NA,"PDBC33914","36413","Present"
-"DBF","","","","","","","","","","","","","","","","","","","","DBF","","","","",NA,"PDBC33915","785353","Present"
-"DCTBFMQJAPGSAT-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DCTBFMQJAPGSAT-UHFFFAOYSA-N","","CCCNC1CC(OC1CO)N2C=C(C(=O)NC2=O)C","DCTBFMQJAPGSAT-UHFFFAOYSA-N","372771",NA,"PDBC33916","648391","Present"
-"DDP38003 trihydrochloride","","","","","","","","","","","","","","","","","","","","DDP-38003","","CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4CC4N","SSWIQIUOBLUKHT-VQTJNVASSA-N","86287623",NA,"PDBC33917","799644","Present"
-"DDUG diMS","","","","","","","","","","","","","","","","","","","","ddug","","CC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=NN=C(N)N)C.CS(=O)(=O)O","LBLNHPYIFITUDF-DSEBIUGSSA-N","54609908",NA,"PDBC33918","109555","Present"
-"DEA/NO: dimethylsulfonamide ether","","","","","","","","","","","","","","","","","","","","DEA/NO : dimethylsulfonamide ether","","CCN(CC)[N+](=NOS(=O)(=O)N(C)C)[O-]","WZKAWOPTPOCWLC-YFHOEESVSA-N","9571405",NA,"PDBC33919","653052","Present"
-"DEA/NO: methoxymethyl ether","","","","","","","","","","","","","","","","","","","","DEA/NO : methoxymethyl ether","","CCN(CC)[N+](=NOCOC)[O-]","MOBRKEKGWCQYHC-CLFYSBASSA-N","9571404",NA,"PDBC33920","653050","Present"
-"DEA/NO: vinyl ether","","","","","","","","","","","","","","","","","","","","DEA/NO : vinyl ether","","CCN(CC)[N+](=NOC=C)[O-]","PXBXWWPIODQCHK-CLFYSBASSA-N","9571791",NA,"PDBC33921","653051","Present"
-"DEOXYGUANOSINE,2'-AMINO","","","","","","","","","","","","","","","","","","","","DEOXYGUANOSINE,2'-AMINO","","C1=NC2=C(N1C3C(C(C(O3)CO)O)N)N=C(NC2=O)N","ROPTVRLUGSPXNH-UHFFFAOYSA-N","135462125",NA,"PDBC33922","241514","Present"
-"DGLHNVSVAYWFEH-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DGLHNVSVAYWFEH-UHFFFAOYSA-N","","C1COC2(O1)CC3CC(C2C3)CO","DGLHNVSVAYWFEH-UHFFFAOYSA-N","361988",NA,"PDBC33923","625466","Present"
-"DGLWWXSXFWPANL-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DGLWWXSXFWPANL-UHFFFAOYSA-N","","CC1=CC=C(C=C1)S(=O)(=O)NCCCN(CCCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C","DGLWWXSXFWPANL-UHFFFAOYSA-N","373797",NA,"PDBC33924","650759","Present"
-"DHL 2G12","","","","","","","","","","","","","","","","","","","","DHL 2G12","","","","",NA,"PDBC33925","636215","Present"
-"DHL 3H12","","","","","","","","","","","","","","","","","","","","DHL 3H12","","","","",NA,"PDBC33926","636216","Present"
-"DHL 4A8","","","","","","","","","","","","","","","","","","","","DHL 4A8","","","","",NA,"PDBC33927","636217","Present"
-"DHL 5D10","","","","","","","","","","","","","","","","","","","","DHL 5D10","","","","",NA,"PDBC33928","636218","Present"
-"DHL 5H12","","","","","","","","","","","","","","","","","","","","DHL 5H12","","","","",NA,"PDBC33929","636214","Present"
-"DHL 6A9","","","","","","","","","","","","","","","","","","","","DHL 6A9","","","","",NA,"PDBC33930","636219","Present"
-"DHL 6E4","","","","","","","","","","","","","","","","","","","","DHL 6E4","","","","",NA,"PDBC33931","636221","Present"
-"DHL 6F3","","","","","","","","","","","","","","","","","","","","DHL 6F3","","","","",NA,"PDBC33932","636220","Present"
-"DIABOLINE","","","","","","","","","","","","","","","","","","","","DIABOLINE","","CC(=O)N1C2C3C4CC5C2(CCN5CC4=CCOC3O)C6=CC=CC=C61","QSDMAJZSSDNJPO-UHFFFAOYSA-N","321983",NA,"PDBC33933","277458","Present"
-"DIASESARTEMIN-(+)","","","","","","","","","","","","","","","","","","","","DIASESARTEMIN-(+)","","COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC)OC","DHWUVPPRBIJJKS-ICSQLKGISA-N","342738",NA,"PDBC33934","380471","Present"
-"DIDEMNIN B","","","","","","","","","","","","","","","","","","","","DIDEMNIN B","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","KYHUYMLIVQFXRI-KJNZDXKESA-N","6711227",NA,"PDBC33935","325319","Present"
-"DIDEOXYGUANOSINE (DDG)","","","","","","","","","","","","","","","","","","","","DIDEOXYGUANOSINE (DDG)","","C1CC(OC1CO)N2C=NC3=C2N=C(NC3=O)N","OCLZPNCLRLDXJC-UHFFFAOYSA-N","135406394",NA,"PDBC33936","619072","Present"
-"DIHFBNUDSJVTRQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DIHFBNUDSJVTRQ-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)S(=O)(=O)N","DIHFBNUDSJVTRQ-UHFFFAOYSA-N","367783",NA,"PDBC33937","637724","Present"
-"DIHYDROMORIN","","","","","","","","","","","","","","","","","","","","DIHYDROMORIN","","C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O","QIWOFDHUQPJCJF-UHFFFAOYSA-N","362637",NA,"PDBC33938","327431","Present"
-"DIQBKQWMTLZBOB-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DIQBKQWMTLZBOB-UHFFFAOYSA-N","","CC1=CC(=C(C(=C1)C)N2C(=C(C(=C2N)C#N)C)C)C","DIQBKQWMTLZBOB-UHFFFAOYSA-N","401908",NA,"PDBC33939","715592","Present"
-"DISCGWZVPNFZMX-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DISCGWZVPNFZMX-UHFFFAOYSA-N","","CC1=CN2C(=O)C3=CC=CC=C3N=C2S1","DISCGWZVPNFZMX-UHFFFAOYSA-N","374052",NA,"PDBC33940","651248","Present"
-"DKLYJKHOELTXQL-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DKLYJKHOELTXQL-UHFFFAOYSA-N","","CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C(=O)OCC)(C(F)(F)F)NC(=O)C4=CC(=CC=C4)Cl)F)C(=O)O","DKLYJKHOELTXQL-UHFFFAOYSA-N","384774",NA,"PDBC33941","675210","Present"
-"DL-2,5-Dihydrophenylalanine","","","","","","","","","","","","","","","","","","","","AT 119","","C1C=CCC(=C1)CC(C(=O)O)N","FSZMHEMPLAVBQZ-UHFFFAOYSA-N","204298",NA,"PDBC33942","140378","Present"
-"DL-2-Amino-7-[bis(2-chloroethyl) amino]-1,3,4-tetrahydro-2-naphthoic acid hydrochloride","","","","","","","","","","","","","","","","","","","","DL-2-amino-7-[bis(2-chloroethyl) amino]-1,2,3,4-tetrahyd...","","C1CC(CC2=C1C=CC(=C2)N(CCCl)CCCl)(C(=O)O)N.Cl","LOAXROWARKRDJB-UHFFFAOYSA-N","363388",NA,"PDBC33943","628279","Present"
-"DL-4-Oxalysine dihydrochloride","","","","","","","","","","","","","","","","","","","","L-4-Oxalysine dihydrochloride///DL-4-Oxalysine dihydrochloride","","C(COCC(C(=O)O)N)N.Cl","OVHJSRSTAWFIIF-UHFFFAOYSA-N","24192272",NA,"PDBC33944","136034///136035","Present"
-"DL-Cysteine, N-(2-thienylmethylene)-S-(triphenylmethyl)-, compd. with N-cyclohexylcyclohexanamine (1:1)","","","","","","","","","","","","","","","","","","","","Alanine, N-2-thenylidene-3-(tritylthio)-, compd. with di...","","C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N=CC4=CC=CS4","NVWRBRLAFVILLU-UHFFFAOYSA-N","422867",NA,"PDBC33945","148290","Present"
-"DL-Ethionine","","","","","","","","","","","","","","","","","","","","D-Ethionine","","CCSCCC(C(=O)O)N","GGLZPLKKBSSKCX-UHFFFAOYSA-N","6205",NA,"PDBC33946","97927","Present"
-"DL-Histidinol Dihydrochloride","","","","","","","","","","","","","","","","","","","","DL-Histidinol Dihydrochloride///L-HISTIDINOL","","C1=C(NC=N1)CC(CO)N.Cl","IQIDPEXUQGHICQ-UHFFFAOYSA-N","356204",NA,"PDBC33947","611347///74518","Present"
-"DL-Leucine","","","","","","","","","","","","","","","","","","","","leucine,(l)","","CC(C)CC(C(=O)O)N","ROHFNLRQFUQHCH-UHFFFAOYSA-N","857",NA,"PDBC33948","46709","Present"
-"DL-Noformicin sulfate","","","","","","","","","","","","","","","","","","","","noformicin","","C1CC(=NC1C(=O)NCCC(=N)N)N.OS(=O)(=O)O","TWCFNAVYOVUGNH-UHFFFAOYSA-N","251918",NA,"PDBC33949","72942","Present"
-"DL-Ornithine hydrochloride","","","","","","","","","","","","","","","","","","","","ornithine monohydrochloride","","C(CC(C(=O)O)N)CN.Cl","GGTYBZJRPHEQDG-UHFFFAOYSA-N","71598",NA,"PDBC33950","118360","Present"
-"DL-Penicillamine","","","","","","","","","","","","","","","","","","","","L-Penicillamine","","CC(C)(C(C(=O)O)N)S","VVNCNSJFMMFHPL-UHFFFAOYSA-N","4727",NA,"PDBC33951","241261","Present"
-"DL-Phenylalanine","","","","","","","","","","","","","","","","","","","","(.+-.)-phenylalanine","","C1=CC=C(C=C1)CC(C(=O)O)N","COLNVLDHVKWLRT-UHFFFAOYSA-N","994",NA,"PDBC33952","9959","Present"
-"DL-Proline","","","","","","","","","","","","","","","","","","","","DL-Proline","","C1CC(NC1)C(=O)O","ONIBWKKTOPOVIA-UHFFFAOYSA-N","614",NA,"PDBC33953","97923","Present"
-"DL-Tryptophan","","","","","","","","","","","","","","","","","","","","l-trp","","C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N","QIVBCDIJIAJPQS-UHFFFAOYSA-N","1148",NA,"PDBC33954","13119","Present"
-"DLMZIQPDKSYCNA-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DLMZIQPDKSYCNA-UHFFFAOYSA-N","","CN(C)CCCN(C1=NC(=NS1)C(Cl)(Cl)Cl)C2=NC(=NS2)C(Cl)(Cl)Cl","DLMZIQPDKSYCNA-UHFFFAOYSA-N","328130",NA,"PDBC33955","305765","Present"
-"DMAPT fumarate salt","","","","","","","","","","","","","","","","","","","","DMAPT","","CC1=CCCC2(C(O2)C3C(CC1)C(C(=O)O3)CN(C)C)C.C(=CC(=O)O)C(=O)O","MRLIRFYFSXOGIO-GMRGYKKQSA-N","24205116",NA,"PDBC33956","734325","Present"
-"DNDI1388178","","","","","","","","","","","","","","","","","","","","DNDI1388178","","CC1CC(=NC2CCCCC2)NC3=CC=CC=C3N1CC4=CC=CC=C4","GYUWWNGCFSDGRK-UHFFFAOYSA-N","135426651",NA,"PDBC33957","705840","Present"
-"DNDI1417002","","","","","","","","","","","","","","","","","","","","DNDI1417002","","C1=CC=C(C=C1)C2=C(C(=NC3=NNC(=C23)N)N)C#N","CLVVBNMTYMKNAP-UHFFFAOYSA-N","395921",NA,"PDBC33958","701016","Present"
-"DNDI1417469","","","","","","","","","","","","","","","","","","","","DNDI1417469","","C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CNC4=CC=CC=C43)N","PBMMBJGJRQANOI-UHFFFAOYSA-N","399015",NA,"PDBC33959","709436","Present"
-"DNTOUPQUQYDGOQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DNTOUPQUQYDGOQ-UHFFFAOYSA-N","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3N5CCNCC5","DNTOUPQUQYDGOQ-UHFFFAOYSA-N","24205986",NA,"PDBC33960","737606","Present"
-"DNZGBFXOVKCJMO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DNZGBFXOVKCJMO-UHFFFAOYSA-N","","CC1C(=CC2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=C(C=C3)OC(=O)C","DNZGBFXOVKCJMO-UHFFFAOYSA-N","262088",NA,"PDBC33961","95381","Present"
-"DP1","","","","","","","","","","","","","","","","","","","","DP1","","","","",NA,"PDBC33962","750285","Present"
-"DPP-Gly-Ala-Phe-OBzl","","","","","","","","","","","","","","","","","","","","DPP-Gly-Ala-Phe-OBzl","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CNP(=O)(C3=CC=CC=C3)C4=CC=CC=C4","DPBBAFCXOXMQBB-UHFFFAOYSA-N","386868",NA,"PDBC33963","679682","Present"
-"DRB","","","","","","","","","","","","","","","","","","","5,6-dichloro-1-?-D-ribofuranosylbenzimidazole","","","C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C3C(C(C(O3)CO)O)O","XHSQDZXAVJRBMX-DDHJBXDOSA-N","5894",NA,"PDBC33964","","Absent"
-"DRSIAJAPNRFDKR-AATRIKPKSA-N","","","","","","","","","","","","","","","","","","","","DRSIAJAPNRFDKR-AATRIKPKSA-N","","COC1=CC(=C(C=C1)OC)C=CNC=O","DRSIAJAPNRFDKR-AATRIKPKSA-N","5879215",NA,"PDBC33965","610186","Present"
-"DSSTox_GSID_45900","","","","","","","","","","","","","","","","","","","","mepartricin (usan)","","CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)OC)OC4C(C(C(C(O4)C)O)N)O","GVEVTKSEPQUIJA-FCUPBDNZSA-N","9941647",NA,"PDBC33966","760091","Present"
-"DWGAZJCGYUTYHE-UHFFFAOYSA-","","","","","","","","","","","","","","","","","","","","DWGAZJCGYUTYHE-UHFFFAOYSA-","","CCN1C2=C(C=CC(=C2)O)C3=C(C1=O)C4=C(O3)C=CC(=C4)O","DWGAZJCGYUTYHE-UHFFFAOYSA-N","5465651",NA,"PDBC33967","658210","Present"
-"DWP18R484E","","","","","","","","","","","","","","","","","","","","DWP18R484E","","CC1=NC(N(C1(C)C)O)(C)C","VXXZDYKJAPNRPX-UHFFFAOYSA-N","379370",NA,"PDBC33968","663914","Present"
-"DWWNSYZALARLDF-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DWWNSYZALARLDF-UHFFFAOYSA-N","","C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(=C(O2)N)C#N)(C#N)C#N","DWWNSYZALARLDF-UHFFFAOYSA-N","387793",NA,"PDBC33969","681865","Present"
-"DXDCVORKZNEAQQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","DXDCVORKZNEAQQ-UHFFFAOYSA-N","","COC1=CC(=CC(=C1O)O)CSC2=CC=C(C=C2)O","DXDCVORKZNEAQQ-UHFFFAOYSA-N","384138",NA,"PDBC33970","673425","Present"
-"Dactinomycin D","","","","","","","","","","","","","","","","","","","","NSC3053","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C","RJURFGZVJUQBHK-GIUPLMLQSA-N","44415057",NA,"PDBC33971","3053","Present"
-"Daniquidone","","","","","","","","","","","","","","","","","","","","Batracylin","","C1C2=C(C=CC(=C2)N)N=C3N1C(=O)C4=CC=CC=C43","SRIOCKJKFXAKHK-UHFFFAOYSA-N","71750",NA,"PDBC33972","320846","Present"
-"Dansylethylenediamine","","","","","","","","","","","","","","","","","","","","sjl 620","","CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCN","CSJXLKVNKAXFSI-UHFFFAOYSA-N","161851",NA,"PDBC33973","666752","Present"
-"Danthron","","","","","","","","","","","","","","","","","","","","Danthron","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O","QBPFLULOKWLNNW-UHFFFAOYSA-N","2950",NA,"PDBC33974","7210","Present"
-"Daphnetin diacetate","","","","","","","","","","","","","","","","","","","","Daphnetin diacetate","","CC(=O)OC1=C(C2=C(C=C1)C=CC(=O)O2)OC(=O)C","PXWILQNNCIKVND-UHFFFAOYSA-N","327277",NA,"PDBC33975","301683","Present"
-"Darolutamide","","","","","","","","","","","","","","","","","","","","Darolutamide","","CC(CN1C=CC(=N1)C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=NNC(=C3)C(C)O","BLIJXOOIHRSQRB-PXYINDEMSA-N","67171867",NA,"PDBC33976","825331","Present"
-"Datiscoside","","","","","","","","","","","","","","","","","","","","datiscoside","","CC1C(C(=O)C(C(O1)OC2CC3(C4CC=C5C(C4(C(=O)CC3(C2C(C)(C(=O)C=CC(C)(C)O)O)C)C)CC(C(=O)C5(C)C)O)C)OC(=O)C)O","RRPAPBCRZGEXTR-NQSVWVJWSA-N","5382554",NA,"PDBC33977","144153","Present"
-"Daturalactone","","","","","","","","","","","","","","","","","","","","Daturalactone","","CC(C1CCC2C1(C(CC3C2C4C(O4)C5(C3(C(=O)C=CC5)C)O)O)C)C6CC7(C(O7)(C(=O)O6)C)C","UZLXIIADBIXQHY-MDHGPUMZSA-N","323594",NA,"PDBC33978","285115","Present"
-"Daturaolone","","","","","","","","","","","","","","","","","","","","Daturaolone","","CC1(CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(=O)C5(C)C)C)O)C)C2C1)C)C)C","YCTXVPCDHZMBHX-QCDSSADQSA-N","122859",NA,"PDBC33979","705537","Present"
-"Daunomycin, monohydrochloride, sesquihydrate","","","","","","","","","","","","","","","","","","","","daunorubicin oxime hydrochloride","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NO)C)O)N)O.Cl","CDUCTRPPOAFSES-SHGUKGLYSA-N","54606703",NA,"PDBC33980","143491","Present"
-"Daunorubicin aglycone","","","","","","","","","","","","","","","","","","","","daunomycinon","","CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O","YOFDHOWPGULAQF-UHFFFAOYSA-N","419026",NA,"PDBC33981","109351","Present"
-"Ddah-PL-II","","","","","","","","","","","","","","","","","","","","DDAH-PL-II","","CCC1CC(C(C=CC=CCC(OC(=O)CC(C(C1OC2C(C(CC(O2)C)(C(=O)C)O)O)OC)O)C)O)C","IZFPDEQYDFAJRK-CDKJVOIVSA-N","5385029",NA,"PDBC33982","375095","Present"
-"Deae-F","","","","","","","","","","","","","","","","","","","","deae-f","","CCN(CC)CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCN(CC)CC.Cl","IRHBANNTGULQJF-UHFFFAOYSA-N","9868219",NA,"PDBC33983","143969","Present"
-"Dearivative benzothiazepine","","","","","","","","","","","","","","","","","","","","Dearivative benzothiazepine","","C1=CC=C2C(=C1)C3=NC4=C(C(=N)N5C6=C(C=C(C=C6)Cl)SC5=N4)C(=N)N3C7=CC=CC=C7S2","TYXCGODKJHSZNK-UHFFFAOYSA-N","60148128",NA,"PDBC33984","753681","Present"
-"DeazaUrd","","","","","","","","","","","","","","","","","","","","3-DEAZAURIDINE","","C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O","WIRVQQCUKDPURA-UHFFFAOYSA-N","277822",NA,"PDBC33985","126849","Present"
-"Debio 0932","","","","","","","","","","","","","","","","","","","","CUDC-305","","CC(C)(C)CNCCN1C2=C(C(=NC=C2)N)N=C1SC3=CC4=C(C=C3N(C)C)OCO4","RVJIQAYFTOPTKK-UHFFFAOYSA-N","44156921",NA,"PDBC33986","761194","Present"
-"Debio-1347","","","","","","","","","","","","","","","","","","","","CH-5183284","","CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=CC=CC=C5N4)N","BEMNJULZEQTDJY-UHFFFAOYSA-N","66555680",NA,"PDBC33987","782363","Present"
-"Deca-Copper(II)chloride-taxol","","","","","","","","","","","","","","","","","","","","Deca-Copper(II)chloride-taxol","","","","",NA,"PDBC33988","788689","Present"
-"Deca-N-(S)-1-phenyl ethyl b-Ala","","","","","","","","","","","","","","","","","","","","deca-n-(s)-1-phenyl ethyl b-ala","","CC(C1=CC=CC=C1)NCCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)O)C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3)C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5)C(C)C6=CC=CC=C6)C(C)C7=CC=CC=C7)C(C)C8=CC=CC=C8)C(C)C9=CC=CC=C9)C(C)C1=CC=CC=C1","OLZOJRBMXAIVKQ-XEDZSBAESA-N","45028382",NA,"PDBC33989","742384","Present"
-"Decafluorobenzophenone","","","","","","","","","","","","","","","","","","","","perfluorobenzophenone","","C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F","WWQLXRAKBJVNCC-UHFFFAOYSA-N","70068",NA,"PDBC33990","96914","Present"
-"Decanediamide,N'-bis(4-amino-2-methyl-6-quinolyl)-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Decanediamide, N,N'-bis(4-amino-2-methyl-6-quinolyl)-, d...","","CC1=CC(=C2C=C(C=CC2=N1)NC(=O)CCCCCCCCC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N.Cl","PWGBDCZAAMBEBQ-UHFFFAOYSA-N","24181871",NA,"PDBC33991","12150","Present"
-"Decanediimidamide, monohydrochloride","","","","","","","","","","","","","","","","","","","","Decanediimidamide, monohydrochloride","","C(CCCCC(=N)N)CCCC(=N)N.Cl","LMBZJGBFQYMSAI-UHFFFAOYSA-N","21144633",NA,"PDBC33992","237343","Present"
-"Decanoic acid 2-(hydroxymethyl)-4-(4-methyl-3-isopropylpentylidene)-5-oxotetrahydrofuran-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl decanoate","","CCCCCCCCCC(=O)OCC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO","PKDPPGRNXLDXPE-STZFKDTASA-N","5470619",NA,"PDBC33993","703746","Present"
-"Decanoic acid-decyl carbamimidothioate(1:1)","","","","","","","","","","","","","","","","","","","","Pseudourea, 2-decyl-2-thio-, decanoate","","CCCCCCCCCCSC(=N)N.CCCCCCCCCC(=O)O","WQDZHWFFLIPTQA-UHFFFAOYSA-N","232753",NA,"PDBC33994","30649","Present"
-"Decarboxy nimbic acid","","","","","","","","","","","","","","","","","","","","DECARBOXY NIMBIC ACID","","CC1=CCC(=O)C2(C1C(C3C(C2CC(=O)O)(C4=C(C(CC4O3)C5=COC=C5)C)C)O)C.[Na+]","HKAXPFKZOORAIU-JKLJDHMNSA-N","54601830",NA,"PDBC33995","92190","Present"
-"Dechlorinated rebeccamycin","","","","","","","","","","","","","","","","","","","","dechlorinated rebeccamycin","","COC1C(OC(C(C1O)O)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O)CO","JNMXCWUKDUQJFF-UHFFFAOYSA-N","24203043",NA,"PDBC33996","726576","Present"
-"Decipidone","","","","","","","","","","","","","","","","","","","","decipidone","","CCCC(=O)OC1C2C(C(CC2(C(=O)C(C3C1(C(C=CC3C(=C)C)OC(=O)C)COC(=O)C)(C)OC(=O)C)O)C)OC(=O)C","JZYOERCCXIXEQU-NSFXRBBVSA-N","398943",NA,"PDBC33997","709311","Present"
-"Decyl 1-methylpyridin-1-ium-4-carboxylate;iodide","","","","","","","","","","","","","","","","","","","","NSC625460","","CCCCCCCCCCOC(=O)C1=CC=[N+](C=C1)C.[I-]","HNKDAPWXMDJWJJ-UHFFFAOYSA-M","361980",NA,"PDBC33998","625460","Present"
-"Decyl propylcarbamate","","","","","","","","","","","","","","","","","","","","Decyl propylcarbamate","","CCCCCCCCCCOC(=O)NCCC","DUDFKUCDLHRTOQ-UHFFFAOYSA-N","362879",NA,"PDBC33999","627351","Present"
-"Decylthiuronium chloride","","","","","","","","","","","","","","","","","","","","decylthiuronium chloride","","CCCCCCCCCCSC(=N)N.Cl","DAUFZRZYGIFXSJ-UHFFFAOYSA-N","79356",NA,"PDBC34000","3274","Present"
-"Decyltrimethylammonium bromide","","","","","","","","","","","","","","","","","","","","decyltrimethylammonium bromide","","CCCCCCCCCC[N+](C)(C)C.[Br-]","PLMFYJJFUUUCRZ-UHFFFAOYSA-M","16388",NA,"PDBC34001","9951","Present"
-"Dedihydromitomycin B","","","","","","","","","","","","","","","","","","","","t 53","","CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3=C2COC(=O)N)N4C)OC","FSJQMPDKDHPEJH-UHFFFAOYSA-N","27590",NA,"PDBC34002","123111","Present"
-"Deferoxamine hydrochloride","","","","","","","","","","","","","","","","","","","","Deferoxamine Hydrochloride","","CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.Cl","KCRQZLMAZHZDCL-UHFFFAOYSA-N","62880",NA,"PDBC34003","268993","Present"
-"Dehydro iso-.alpha.-lapachone","","","","","","","","","","","","","","","","","","","","Dehydro iso-.alpha.-lapachone","","CC(=C)C1CC2=C(O1)C(=O)C3=CC=CC=C3C2=O","ZDMOREUAQLXRCQ-UHFFFAOYSA-N","364109",NA,"PDBC34004","629754","Present"
-"Dehydrobrachylaenolide","","","","","","","","","","","","","","","","","","","","Dehydrobrachylaenolide","","CC12CCC3C(C1C(=C)C(=O)C=C2)OC(=O)C3=C","GYBDKJQMRUKMGE-QJZXMWHDSA-N","404548",NA,"PDBC34005","720795","Present"
-"Dehydrodidemnin B","","","","","","","","","","","","","","","","","","","","Dehydrodidemnin B","","","","",NA,"PDBC34006","638719","Present"
-"Dehydroemetine (+-)-form dihydrochloride","","","","","","","","","","","","","","","","","","","","emetine, dehydro-","","CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC(=C(C=C5CCN4)OC)OC.Cl","DHRVPMDKONQKAP-KGQXAQPSSA-N","3084192",NA,"PDBC34007","129414","Present"
-"Dehydroepiandrosterone mustard","","","","","","","","","","","","","","","","","","","","Dehydroepiandrosterone mustard","","CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C","XMEZZNCIZQQXCV-AXOMYGEFSA-N","198019",NA,"PDBC34008","121210","Present"
-"Dehydrofarinosin","","","","","","","","","","","","","","","","","","","","Encelin","","CC12CC3C(CC1C(=C)C(=O)C=C2)C(=C)C(=O)O3","LXMUZMFQJGRVFW-UHFFFAOYSA-N","329302",NA,"PDBC34009","311053","Present"
-"Dehydroglaucine","","","","","","","","","","","","","","","","","","","","Dehydroglaucine","","CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC","RZUHGAKUNBFQJS-UHFFFAOYSA-N","398788",NA,"PDBC34010","708924","Present"
-"Dehydroheliotridine","","","","","","","","","","","","","","","","","","","","Dehydroheliotridine","","C1CN2C=CC(=C2C1O)CO","QFPRRXUPCPFWKD-ZETCQYMHSA-N","272106",NA,"PDBC34011","116336","Present"
-"Dehydroilludin M","","","","","","","","","","","","","","","","","","","","Dehydroilludin M","","CC1=C2C(=CC(C2=O)(C)C)C(=O)C(C13CC3)(C)O","PFURRCFDDZMGLA-AWEZNQCLSA-N","362430",NA,"PDBC34012","626371","Present"
-"Dehydrosolasodine","","","","","","","","","","","","","","","","","","","","Dehydrosolasodine","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC=C6)C)C)C)NC1","OYNIUJOJEWHJPN-XZPQRGLFSA-N","368988",NA,"PDBC34013","640469","Present"
-"Dehydrospongistatin 2","","","","","","","","","","","","","","","","","","","","dehydrospongistatin 2","","CC1C=CC2(C(C3C(C(C(C(O3)CC(=C)CC(C=CC=C)O)O)OC(=O)CC4CC(CC5(O4)CC(CC(O5)CC(=C)C(C(C(C(=O)CC6CC(CC7(O6)CC(CC(O7)C=CCCCC1O2)O)OC)C)OC(=O)C)C)(C)O)OC(=O)C)C)O)O","CBSUYSJPVZOMOZ-LTEJQQKOSA-N","24202926",NA,"PDBC34014","726291","Present"
-"Dehydrostepholidine chloride","","","","","","","","","","","","","","","","","","","","Dehydrostepholidine chloride","","COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)O)OC.[Cl-]","CUUPIALXJLKAFN-UHFFFAOYSA-N","363208",NA,"PDBC34015","627882","Present"
-"Dehydrotamandarin-A","","","","","","","","","","","","","","","","","","","","dehydrotamandarin-A","","CCC(C)C1C(CC(=O)OC(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C(C)C)O","CRMQSDHAUJOQIE-MRIHCXOKSA-N","401172",NA,"PDBC34016","714370","Present"
-"Delmarine","","","","","","","","","","","","","","","","","","","","Delmarine","","CC1(CCN2C=NC3=C2C(=NC=N3)N1O)C=CC4=CC=C(C=C4)C5=CC=CC=C5","RATAUKJBOPUJRD-VAWYXSNFSA-N","101904648",NA,"PDBC34017","796304","Present"
-"Delphinine","","","","","","","","","","","","","","","","","","","","delphinine","","CC(=O)OC12CC(C3(CC(C1C3OC(=O)C4=CC=CC=C4)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC)O)OC","REVYTWNGZDPRKE-UHFFFAOYSA-N","97909",NA,"PDBC34018","56463","Present"
-"Delsine","","","","","","","","","","","","","","","","","","","","roylin","","CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)CO","YOTUXHIWBVZAJQ-UHFFFAOYSA-N","99924",NA,"PDBC34019","268791","Present"
-"Deltarasin","","","","","","","","","","","","","","","","","","","","Deltarasin","","C1CNCCC1C(COC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)N6C7=CC=CC=C7N=C6C8=CC=CC=C8","LTZKEDSUXKTTTC-KXQOOQHDSA-N","73292904",NA,"PDBC34020","779408","Present"
-"Demethylnobiletin","","","","","","","","","","","","","","","","","","","","Demethylnobiletin","","COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC","DOFJNFPSMUCECH-UHFFFAOYSA-N","358832",NA,"PDBC34021","618927","Present"
-"Demethyltylophorinine","","","","","","","","","","","","","","","","","","","","Demethyltylophorinine","","COC1=C(C=C2C(=C1)C3=C(C(C4CCCN4C3)O)C5=C2C=C(C=C5)O)OC","SBVBOLGVLBCFIL-AVRDEDQJSA-N","261792",NA,"PDBC34022","94739","Present"
-"Denileukin Diftitox Ontak","","","","","","","","","","","","","","","","","","","","Denileukin Diftitox Ontak","","","","",NA,"PDBC34023","697979","Present"
-"Denitro-KT-1","","","","","","","","","","","","","","","","","","","","Denitro-KT-1","","COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCCCO)OC)OC","SSDALMNYCZFGTO-UHFFFAOYSA-N","100554",NA,"PDBC34024","319012","Present"
-"Deoxyartemisitene","","","","","","","","","","","","","","","","","","","","deoxyartemisitene","","CC1CCC2C(=C)C(=O)OC3C24C1CCC(O3)(O4)C","DUQONUJDFSRMQE-KPHNHPKPSA-N","6712468",NA,"PDBC34025","690035","Present"
-"Deoxyaspergillic acid","","","","","","","","","","","","","","","","","","","","Aspergillic acid, deoxy-","","CCC(C)C1=CN=C(C(=O)N1)CC(C)C","NQUCTITVLHEDIU-UHFFFAOYSA-N","278142",NA,"PDBC34026","127441","Present"
-"Deoxybouvardin","","","","","","","","","","","","","","","","","","","","deoxyBouvardin","","CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C","VXVGFMUNENQGFW-UHFFFAOYSA-N","429599",NA,"PDBC34027","259969","Present"
-"Deoxycalyciphylline B","","","","","","","","","","","","","","","","","","","","Deoxycalciphylline B","","CC1CN2C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C","NGQSEZXJVMCXSC-AJXLCOHYSA-N","10871573",NA,"PDBC34028","787222","Present"
-"Deoxycamptothecin","","","","","","","","","","","","","","","","","","","","Deoxycamptothecin","","CCC1C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2","PEZXVOHRDBYBFR-UHFFFAOYSA-N","266552",NA,"PDBC34029","105132","Present"
-"Deoxycholic acid","","","","","","","","","","","","","","","","","","","","degalol","","CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C","KXGVEGMKQFWNSR-LLQZFEROSA-N","222528",NA,"PDBC34030","8797","Present"
-"Deoxydihydroleontalbinine","","","","","","","","","","","","","","","","","","","","Matridine///Allomatridine","","C1CCN2CC3CCCN4C3C(C2C1)CCC4","UENROKUHQFYYJA-UHFFFAOYSA-N","285697",NA,"PDBC34031","143085///143086","Present"
-"Deoxyelaphantopin","","","","","","","","","","","","","","","","","","","","DEOXYELEPHANTOPIN","","CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2","JMUOPRSXUVOHFE-OCWKYTTHSA-N","5358527",NA,"PDBC34032","259726","Present"
-"Deoxynyboquinone","","","","","","","","","","","","","","","","","","","","Pyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone, 1,4,6-tr...","","CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)N(C(=O)C=C3C)C","KJYPAIRTXRKKHG-UHFFFAOYSA-N","295934",NA,"PDBC34033","165572","Present"
-"Deoxypodophyllotoxin","","","","","","","","","","","","","","","","","","","","anthricin","","COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O","ZGLXUQQMLLIKAN-SVIJTADQSA-N","345501",NA,"PDBC34034","403148","Present"
-"Deoxytifructin","","","","","","","","","","","","","","","","","","","","Deoxytifructin","","CC=C(C)C(=O)OC1CC(C=CC(C(=CC2C1C(=C)C(=O)O2)C)O)(C)O","QUQPZVOBOIBITF-CYQSNCAPSA-N","5908434",NA,"PDBC34035","329692","Present"
-"Deplancheine","","","","","","","","","","","","","","","","","","","","Deplancheine","","CC=C1CCC2C3=C(CCN2C1)C4=CC=CC=C4N3","GVGJKCCVRKFWAF-SWGQDTFXSA-N","5386990",NA,"PDBC34036","619164","Present"
-"Dequadin","","","","","","","","","","","","","","","","","","","","sorot","","CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-]","IHLKQCODTQXANL-UHFFFAOYSA-O","5351247",NA,"PDBC34037","166454","Present"
-"Derazantinib Racemate","","","","","","","","","","","","","","","","","","","","ARQ-087///ARQ-087_Peak 2","","COCCNCCC1=CC(=CC=C1)NC2=NC=C3CC(C4=CC=CC=C4C3=N2)C5=CC=CC=C5F","KPJDVVCDVBFRMU-UHFFFAOYSA-N","67541698",NA,"PDBC34038","792996///792997","Present"
-"Derivative of Dibenzothiazepine","","","","","","","","","","","","","","","","","","","","Derivative of Dibenzothiazepine","","COC1=CC=C(C=C1)NC2=C(C(=O)N(N2)C3=NC4=CC=CC=C4SC5=CC=CC=C53)C#N","VBPVQWCGARUBKN-UHFFFAOYSA-N","60147696",NA,"PDBC34039","752245","Present"
-"Dermazin","","","","","","","","","","","","","","","","","","","","dermazin","","C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Ag+]","UEJSSZHHYBHCEL-UHFFFAOYSA-N","5459124",NA,"PDBC34040","625324","Present"
-"Dermocanarin-4","","","","","","","","","","","","","","","","","","","","Dermocanarin-4","","CC1(CC2=CC3=C(C(=O)C=C(C3=O)OC)C(=C2C4=C(C5=C(C6=C(CC(CC6=O)(C)O)C=C5C=C4OC)O)OC(=O)C1)O)O","FODICJOAXWMHEC-UHFFFAOYSA-N","373887",NA,"PDBC34041","650882","Present"
-"Dermocybin","","","","","","","","","","","","","","","","","","","","dermocylin","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)OC)O","WZDHOIZUFUBGHK-UHFFFAOYSA-N","72742",NA,"PDBC34042","257450","Present"
-"Des-fluoro-TAK-960","","","","","","","","","","","","","","","","","","","","Des-fluoro-TAK-960","","CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC","DJNZZLZKAXGMMC-UHFFFAOYSA-N","25015677",NA,"PDBC34043","762154","Present"
-"Desacetylcolchicine d-tartrate","","","","","","","","","","","","","","","","","","","","tmca","","COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.C(C(C(=O)O)O)(C(=O)O)O","JLRWNBXMQCGSEJ-APBURCQWSA-N","84053",NA,"PDBC34044","36354","Present"
-"Desaminoactinomycin C","","","","","","","","","","","","","","","","","","","","2-hydroxy-2-deaminoactinomycin c","","CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=O)C(=C5N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)CC)C)C)C(C)C)C)C)C)C(C)C)C)C","ZEMWHSHZXZVIBG-UHFFFAOYSA-N","428404",NA,"PDBC34045","237106","Present"
-"Desglucocheirotoxin","","","","","","","","","","","","","","","","","","","","korglykon","","CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O","HULMNSIAKWANQO-UHFFFAOYSA-N","2862",NA,"PDBC34046","407808","Present"
-"Desglucocyclamin 1","","","","","","","","","","","","","","","","","","","","Desglucocyclamin 1","","CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)CCC89C3(CC(C1(C8CC(CC1)(C)C=O)CO9)O)C)C)C","JXTOWLUQSHIIDP-VLACWOJQSA-N","155814289",NA,"PDBC34047","799729","Present"
-"Desmethoxy-B-peltatin-A methyl ether","","","","","","","","","","","","","","","","","","","","desmethoxy-b-peltatin-a methyl ether","","COC1=C(C=C(C=C1)C2C3C(CC4=C(C5=C(C=C24)OCO5)OC)OCC3=O)OC","XPWTYDWZZDAXDF-UHFFFAOYSA-N","420763",NA,"PDBC34048","126727","Present"
-"Desmethoxycentaureidin","","","","","","","","","","","","","","","","","","","","Desmethoxycentaureidin","","COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O","VCWFILUULGOFCD-UHFFFAOYSA-N","5469524",NA,"PDBC34049","689466","Present"
-"Desmethylbrefeldin A","","","","","","","","","","","","","","","","","","","","Desmethylbrefeldin A","","C1CCOC(=O)C=CC(C2CC(CC2C=CC1)O)O","PDQKHANYIFONPI-BHTHFWORSA-N","45029415",NA,"PDBC34050","746708","Present"
-"Desmosflavone","","","","","","","","","","","","","","","","","","","","5-Hydroxy-7-methoxy-6,8-dimethylflavon","","CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O","PQZXFPBMXPGZMO-UHFFFAOYSA-N","369598",NA,"PDBC34051","641479","Present"
-"Desoxyerbstatin","","","","","","","","","","","","","","","","","","","","Desoxyerbstatin","","C1=CC=C(C(=C1)C=CNC=O)O","WVTQKUWNFOBATC-AATRIKPKSA-N","5386499",NA,"PDBC34052","612765","Present"
-"Desoxyhemigossypol-6-methyl ether","","","","","","","","","","","","","","","","","","","","Desoxyhemigossypol-6-methyl ether","","CC1=CC2=C3C(=C(C(=C2C(C)C)OC)O)COC3=C1","ZMCDJIAUWJBTEN-UHFFFAOYSA-N","373913",NA,"PDBC34053","650938","Present"
-"Destruxin A","","","","","","","","","","","","","","","","","","","","NSC361126","","CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC=C)C)C)C(C)C)C","XIYSEKITPHTMJT-UHFFFAOYSA-N","122810",NA,"PDBC34054","361126","Present"
-"Destruxin B","","","","","","","","","","","","","","","","","","","","destruxin b","","CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)C)C","GNBHVMBELHWUIF-UHFFFAOYSA-N","428373",NA,"PDBC34055","236580","Present"
-"Destruxin E","","","","","","","","","","","","","","","","","","","","Destruxin E","","CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC3CO3)C)C)C(C)C)C","NIAYGGCQOYIHAF-UHFFFAOYSA-N","107863",NA,"PDBC34056","361127","Present"
-"Deucravacitinib","","","","","","","","","","","","","","","","","","","","BMS-986165","","CNC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4","BZZKEPGENYLQSC-FIBGUPNXSA-N","134821691",NA,"PDBC34057","825520","Present"
-"Dexamethasone Sodium Phosphate","","","","","","","","","","","","","","","","","","","","Dexamethasone Sodium Phosphate","","CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C","VQODGRNSFPNSQE-UHFFFAOYSA-L","3006",NA,"PDBC34058","803074","Present"
-"Dexverapamil Hydrochloride","","","","","","","","","","","","","","","","","","","","R-Verapamil Hydrochloride from Knoll Pharma.","","CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl","DOQPXTMNIUCOSY-HZPIKELBSA-N","170014",NA,"PDBC34059","632821","Present"
-"Dezaguanine","","","","","","","","","","","","","","","","","","","","Dezaguanine","","C1=C(NC(=O)C2=C1NC=N2)N","KXBCLNRMQPRVTP-UHFFFAOYSA-N","55710",NA,"PDBC34060","261726","Present"
-"Dhac","","","","","","","","","","","","","","","","","","","","DIHYDRO-5-AZACYTIDINE","","C1N=C(NC(=O)N1C2C(C(C(O2)CO)O)O)N.Cl","MRFRLYAOBSTHHU-UHFFFAOYSA-N","5351280",NA,"PDBC34061","264880","Present"
-"Di(cis-diammine)bis(alpha,4'-stilben-dioldiphosphato)diplatinum(II)dihydrate","","","","","","","","","","","","","","","","","","","","Di(cis-diammine)bis(.alpha.,.alpha.'-diethyl-4,4'-stilbe...","","CCC(=C(CC)C1=CC=C(C=C1)OP(=O)([O-])[O-])C2=CC=C(C=C2)OP(=O)([O-])[O-].N.N.N.N.[Pt+4].[Pt+4]","PLEHQSADJZKQHM-DWWNVGOYSA-J","54608093",NA,"PDBC34062","634047","Present"
-"Di(tert-butyl) 2-((2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-methylbutanoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Di(tert-butyl) 2-((2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-methylbutanoyl)amino)pentanedioate","","CC(C)C(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13","DMYYOGXNFYMOMY-UHFFFAOYSA-N","382352",NA,"PDBC34063","669821","Present"
-"Di-(1,6-dihydro-4H-cyclopenta[c]thien-6-yl) amine","","","","","","","","","","","","","","","","","","","","Di-(1,3-dibromo-4-oxo-5,6-dihydro-4H-cyclopenta[c]thien-...","","C1C(C2=C(SC(=C2C1=O)Br)Br)NC3CC(=O)C4=C(SC(=C34)Br)Br","RSNDTYCGNHCIDZ-UHFFFAOYSA-N","400223",NA,"PDBC34064","711741","Present"
-"Di-(8-methylstearoyl)phosphatidylcholine","","","","","","","","","","","","","","","","","","","","Dspc-8M","","CCCCCCCCCCC(C)CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC(C)CCCCCCCCCC","CJASOXBQLCLECD-UHFFFAOYSA-N","196707",NA,"PDBC34065","625435","Present"
-"Di-cysteinil-diamino Pt-complex","","","","","","","","","","","","","","","","","","","","Di-cysteinil-diamino Pt-complex","","C(C(C(=O)[O-])N)S.C(C(C(=O)[O-])N)S.N.N.[Pt+4]","YBIJCMJWUOLEOQ-UHFFFAOYSA-L","24202418",NA,"PDBC34066","650946","Present"
-"Di-n-butyltin bis(3-amino-4-methylbenzoate)","","","","","","","","","","","","","","","","","","","","LS-28225","","CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1)C)N)OC(=O)C2=CC(=C(C=C2)C)N","BOBXEBITHZKWLW-UHFFFAOYSA-L","16683189",NA,"PDBC34067","643845","Present"
-"Di-n-octyl-secalonsaure A","","","","","","","","","","","","","","","","","","","","Di-n-octyl-secalonsaure A","","CCCCCCCCOC(=O)C12C(C(CC(=O)C1=C(C3=C(O2)C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OCCCCCCCC)O)O)C)O","XGOCLYVULCACOE-UHFFFAOYSA-N","430141",NA,"PDBC34068","268925","Present"
-"Di-o-methylthujaplicatin methyl ether","","","","","","","","","","","","","","","","","","","","Di-o-methylthujaplicatin methyl ether","","COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)OC)OC)OC","QFFURUDOUPSWTF-DLBZAZTESA-N","384878",NA,"PDBC34069","675474","Present"
-"Di-p-tolyliodinium bromide","","","","","","","","","","","","","","","","","","","","Di-p-tolyliodinium bromide","","CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C.Br","YCZWJBIXAUQULS-UHFFFAOYSA-N","54601177",NA,"PDBC34070","8985","Present"
-"Di[ammoniumbis(5-sulfonatotropolonato)]bismuth(III)","","","","","","","","","","","","","","","","","","","","Di[ammoniumbis(5-sulfonatotropolonato)]bismuth(III)","","","","",NA,"PDBC34071","637223","Present"
-"Diacetamate","","","","","","","","","","","","","","","","","","","","DIACETAMATE","","CC(=O)NC1=CC=C(C=C1)OC(=O)C","UJAOSPFULOFZRR-UHFFFAOYSA-N","17499",NA,"PDBC34072","758889","Present"
-"Diacetobromogallium(III)","","","","","","","","","","","","","","","","","","","","Diacetobromogallium(III)","","CC(=O)O[Ga](OC(=O)C)Br","ONCYDDJVUSBQAJ-UHFFFAOYSA-K","16683557",NA,"PDBC34073","632571","Present"
-"Diacetochlorogallium(III)","","","","","","","","","","","","","","","","","","","","Diacetochlorogallium(III)","","CC(=O)O[Ga](OC(=O)C)Cl","HIIZQGSJTAETBO-UHFFFAOYSA-K","16683558",NA,"PDBC34074","632572","Present"
-"Diacetyl Fluoro Nissl Green","","","","","","","","","","","","","","","","","","","","Diacetyl Fluoro Nissl Green","","CC(=O)NC1=CC2=C(C=C1)C3=C(N2)C=C4C=CC(=CC4=N3)NC(=O)C","ZGSIPZVHOSDLSZ-UHFFFAOYSA-N","391531",NA,"PDBC34075","690780","Present"
-"Diacetylchrysophanic acid","","","","","","","","","","","","","","","","","","","","Diacetylchrysophanic acid","","CC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=C(C2=O)C=CC=C3OC(=O)C","HKDZNWKYILPDRP-UHFFFAOYSA-N","270486",NA,"PDBC34076","112923","Present"
-"Diacid Orange R","","","","","","","","","","","","","","","","","","","","orange t","","CC1=C(C=CC(=C1)S(=O)(=O)O)N=NC2=C(C=CC3=CC=CC=C32)O.[Na+]","WPWNIQBSYQVEKJ-UHFFFAOYSA-N","135422098",NA,"PDBC34077","51525","Present"
-"Diacromo Blue G","","","","","","","","","","","","","","","","","","","","diacromo blue g","","C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O.[Na+]","HOWITLLZNKSJOJ-UHFFFAOYSA-N","135422057",NA,"PDBC34078","47715","Present"
-"Diallyl amide of 7-methyl-3-phenyl-1-[2-hydroxy-3-(4-(2-pyrimidinyl)-1-pipera zinyl)propyl]-2,2,3,4-tetrahydropyrido[2,3-d]pyrim idine-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","diallyl amide of 7-methyl-3-phenyl-1-[2-hydroxy-3-(4-(2-...","","CC1=CC(=C2C(=N1)N(C(=O)N(C2=O)C3=CC=CC=C3)CC(CN4CCN(CC4)C5=NC=CC=N5)O)C(=O)N(CC=C)CC=C","VOKISAKUAYECPZ-UHFFFAOYSA-N","24206048",NA,"PDBC34079","737787","Present"
-"Diallyl amide of 7-methyl-3-phenyl-1-[3-(4-o-methoxyphenyl-1-piperazinyl)prop yl]-2,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-ca rboxylic acid","","","","","","","","","","","","","","","","","","","","diallyl amide of 7-methyl-3-phenyl-1-[3-(4-o-methoxyphen...","","CC1=CC(=C2C(=N1)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=CC=C5OC)C(=O)N(CC=C)CC=C","LHZOKBYNSJCMMP-UHFFFAOYSA-N","24206047",NA,"PDBC34080","737786","Present"
-"Diallyl disulfide","","","","","","","","","","","","","","","","","","","","Allyl disulfide","","C=CCSSCC=C","PFRGXCVKLLPLIP-UHFFFAOYSA-N","16590",NA,"PDBC34081","29228","Present"
-"Diallyl(dichloromethyl)phosphine oxide","","","","","","","","","","","","","","","","","","","","Diallyl(dichloromethyl)phosphine oxide","","C=CCP(=O)(CC=C)C(Cl)Cl","YJYRCSCBBVCSES-UHFFFAOYSA-N","383111",NA,"PDBC34082","671155","Present"
-"Diammine-1,10,16-tetraoxa-4,13-diazacyclooctadecane-platinum(II)dichloride","","","","","","","","","","","","","","","","","","","","Diammine-1,7,10,16-tetraoxa-4,13-diazacyclooctadecane- p...","","C1C[OH+]CC[OH+]CCNCC[OH+]CC[OH+]CCN1.N.[Cl-].[Pt+4]","FSUKXSJAASNGJR-UHFFFAOYSA-Q","54600828",NA,"PDBC34083","632608","Present"
-"Diammine-1,10-trioxa-4,13-diazacyclopentadecaneplatinum-(II)dichloride","","","","","","","","","","","","","","","","","","","","Diammine-1,7,10-trioxa-4,13-diazacyclopentadecaneplatinu...","","C1C[OH+]CCNCC[OH+]CC[OH+]CCN1.N.[Cl-].[Pt+4]","VGEDIHLUJHSYFI-UHFFFAOYSA-P","54604823",NA,"PDBC34084","632610","Present"
-"Dianellin","","","","","","","","","","","","","","","","","","","","Dianellin","","CC1C(C(C(C(O1)O)O)O)O.CC1=CC2=C(C(=CC=C2)OC3C(C(C(C(O3)CO)O)O)O)C(=C1C(=O)C)O","VWYKSSPNUMGXTG-UHFFFAOYSA-N","422284",NA,"PDBC34085","143089","Present"
-"Dianemycin","","","","","","","","","","","","","","","","","","","","Dianemycin","","CC1CC(C(OC1C2CC(C3(O2)C(C(CC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)O)C)O)C)OC6CCC(C(O6)C)OC)C)C)(CO)O)C","FELYAZAWTURXNF-JJIBRWJFSA-N","5475287",NA,"PDBC34086","138320","Present"
-"Dianisylideneacetone","","","","","","","","","","","","","","","","","","","","Dianisylideneacetone","","COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC","IOZVKDXPBWBUKY-LQIBPGRFSA-N","715840",NA,"PDBC34087","677239","Present"
-"Diaquodichloroethylenediaminecobalt(III)chloride","","","","","","","","","","","","","","","","","","","","Diaquodichloroethylenediaminecobalt(III)chloride","","","","",NA,"PDBC34088","631460","Present"
-"Diazabicycloheptane derivative","","","","","","","","","","","","","","","","","","","","DIAZABICYCLOHEPTANE DERIVATIVE","","C1C[N+]2(CC[N+]1(C2)CCCl)CCCl.C(=CC(=O)[O-])C(=O)O","HKVBKOPISPWMSR-BTJKTKAUSA-M","54599345",NA,"PDBC34089","262666","Present"
-"Diazacrone","","","","","","","","","","","","","","","","","","","","Diazacrone","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5","HXRDMECOXWSAOR-UHFFFAOYSA-N","364458",NA,"PDBC34090","630719","Present"
-"Diazaquinomycin A","","","","","","","","","","","","","","","","","","","","Diazaquinomycin A","","CCCC1=C(C(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C(=C3CCC)C)C","WZZGVUSWZMBPPL-UHFFFAOYSA-N","122105",NA,"PDBC34091","626554","Present"
-"Diazenecarbohydrazonoyl chloride, N,2-diphenyl-","","","","","","","","","","","","","","","","","","","","NSC625142","","C1=CC=C(C=C1)NN=C(N=NC2=CC=CC=C2)Cl","ONNFMNKVWDFZMZ-HSOXYTCQSA-N","5464927",NA,"PDBC34092","625142","Present"
-"Diazine Black","","","","","","","","","","","","","","","","","","","","janus black","","CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)O)N=C2C=C1)C5=CC=CC=C5.[Cl-]","VJDDAARZIFHSQY-UHFFFAOYSA-N","135436529",NA,"PDBC34093","9610","Present"
-"Diaziquone","","","","","","","","","","","","","","","","","","","","AZQ","","CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC)N3CC3","WVYXNIXAMZOZFK-UHFFFAOYSA-N","42616",NA,"PDBC34094","182986","Present"
-"Diaziridinone, bis(1,1-dimethyl-2-phenylethyl)-","","","","","","","","","","","","","","","","","","","","Diaziridinone, bis(.alpha.,.alpha.-dimethylphenethyl)-","","CC(C)(CC1=CC=CC=C1)N2C(=O)N2C(C)(C)CC3=CC=CC=C3","ZKQWBEDDJGVEDB-UHFFFAOYSA-N","391928",NA,"PDBC34095","691608","Present"
-"Diazoacetic acid propargyl ester","","","","","","","","","","","","","","","","","","","","Diazoacetic acid propargyl ester","","C#CCOC(=O)C=[N+]=[N-]","ZCMNBAFKLFHXOE-UHFFFAOYSA-N","379004",NA,"PDBC34096","662773","Present"
-"Diazodimedone","","","","","","","","","","","","","","","","","","","","Diazodimedone","","CC1(CC(=O)C(=[N+]=[N-])C(=O)C1)C","DMOYBIUAWCVPLF-UHFFFAOYSA-N","353445",NA,"PDBC34097","601821","Present"
-"Diazonamide A","","","","","","","","","","","","","","","","","","","","Diazonamide A","","CC(C)C1C2=NC3=C(O2)C45C(NC6=C(C=CC=C64)C7=C8C(=CC=C7)NC(=C8C9=C(N=C3O9)Cl)Cl)OC2=C5C=C(CC(C(=O)N1)NC(=O)C(C(C)C)O)C=C2","YKBUODYYSZSEIY-PLSHLZFXSA-N","395475",NA,"PDBC34098","700089","Present"
-"Dibenz[f, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride","","","","","","","","","","","","","","","","","","","","Dibenz[f,h]isoquinoline, 1,2,3,4-tetrahydro-2-methyl-, h...","","CN1CCC2=C(C1)C3=CC=CC=C3C4=CC=CC=C24.Cl","BLHWWESOADPCET-UHFFFAOYSA-N","21144925",NA,"PDBC34099","402303","Present"
-"Dibenzepin hydrochloride","","","","","","","","","","","","","","","","","","","","deprex","","CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl","RJPZIQRLRMWPRF-UHFFFAOYSA-N","443945",NA,"PDBC34100","169412","Present"
-"Dibenziodolium, iodide","","","","","","","","","","","","","","","","","","","","DIBENZIODOLIUM, IODIDE","","C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2.I","BSPMLYBYVRXYGY-UHFFFAOYSA-N","54605043",NA,"PDBC34101","577","Present"
-"Dibenzo-15-crown-5","","","","","","","","","","","","","","","","","","","","Dibenzo-15-crown-5","","C1COC2=CC=CC=C2OCCOC3=CC=CC=C3OCCO1","QSBFECWPKSRWNM-UHFFFAOYSA-N","373245",NA,"PDBC34102","649284","Present"
-"Dibenzo[a, N-[2-(dimethylamino)ethyl]-, monohydrochloride","","","","","","","","","","","","","","","","","","","","Dibenzo[a,c]phenazine-10-carboxamide, N-[2- (dimethylami...","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C4=CC=CC=C4C5=CC=CC=C5C3=N2.Cl","OQFQAZZTYBKFKO-UHFFFAOYSA-N","358174",NA,"PDBC34103","617988","Present"
-"Dibenzo[a,e]cycloocten-5,11-imin-4-ol, 5,6,11,12-tetrahydro-3,8-dimethoxy-13-methyl-","","","","","","","","","","","","","","","","","","","","4,13-Dimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-3-ol","","CN1C2CC3=C(C1CC4=C2C=CC(=C4)OC)C(=C(C=C3)OC)O","BKPCUFNSQZEAFZ-UHFFFAOYSA-N","371202",NA,"PDBC34104","645252","Present"
-"Dibenzo[a,o]perylene-7,16-dione","","","","","","","","","","","","","","","","","","","","Helianthrone","","C1=CC=C2C(=C1)C3=C4C(=C5C=CC=C6C5=C3C7=CC=CC=C7C6=O)C=CC=C4C2=O","CJADAVIATOALFB-UHFFFAOYSA-N","68058",NA,"PDBC34105","152100","Present"
-"Dibenzo[b, 2-(dimethylamino)-","","","","","","","","","","","","","","","","","","","","2-(dimethylamino)-6h-benzoi[c]chromen-6-one","","CN(C)C1=CC2=C(C=C1)OC(=O)C3=CC=CC=C32","FYVPPRKWSFDKOR-UHFFFAOYSA-N","265057",NA,"PDBC34106","100828","Present"
-"Dibenzo[b,e][1,4]dioxin-1-carboxamide, N-[2-(dimethylamino)ethyl]-3-nitro-","","","","","","","","","","","","","","","","","","","","N-(2-Dimethylaminoethyl)-3-nitro-dibenzo-p-dioxin-1-carboxamide","","CN(C)CCNC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])OC3=CC=CC=C3O2","DHKUZINVEZYFKU-UHFFFAOYSA-N","370718",NA,"PDBC34107","644219","Present"
-"Dibenzo[e,m][1,4,8,11]dioxadiazacyclotetradecine-6,9(5H,10H)-diethanol, 7,8,16,17-tetrahydro-","","","","","","","","","","","","","","","","","","","","Dibenzo[e,m][1,4,8,11]dioxadiazacyclotetradecine-6,9(5H,10H)-diethanol, 7,8,16,17-tetrahydro-","","C1CN(CC2=CC=CC=C2OCCOC3=CC=CC=C3CN1CCO)CCO","CSBQOUYEXOZEDZ-UHFFFAOYSA-N","373158",NA,"PDBC34108","649099","Present"
-"Dibenzo[f,m][1,8,4,11]dithiadiazacyclotetradecine-8,17(9H,18H)-diacetic acid, 6,7,15,16-tetrahydro-","","","","","","","","","","","","","","","","","","","","2-[16-(Carboxymethyl)-2,13-dithia-5,16-diazatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-5-yl]acetic acid","","C1CSC2=CC=CC=C2CN(CCSC3=CC=CC=C3CN1CC(=O)O)CC(=O)O","ANMWFBKSYJTLMJ-UHFFFAOYSA-N","374575",NA,"PDBC34109","652549","Present"
-"Dibenzofuran-3-ylthiourea","","","","","","","","","","","","","","","","","","","","thiourea, N-3-dibenzofuranyl-","","C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)N","VWBVBJPKRDFZHY-UHFFFAOYSA-N","3005416",NA,"PDBC34110","698578","Present"
-"Dibenzopyran","","","","","","","","","","","","","","","","","","","","Dibenzopyran","","C1C2=C(C(=C(C(=C2C3=C(O1)C=CC(=C3)F)C#N)N)C#N)C4=CC=C(C=C4)Cl","JLPSJOTVDJEZQM-UHFFFAOYSA-N","24203752",NA,"PDBC34111","729305","Present"
-"Dibenzoyl 2-aminopropanedioate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC669767","","C1=CC=C(C=C1)C(=O)OC(=O)C(C(=O)OC(=O)C2=CC=CC=C2)N.Cl","QUXDXXREKXGAPN-UHFFFAOYSA-N","382305",NA,"PDBC34112","669767","Present"
-"Dibenzoylfuran deriv","","","","","","","","","","","","","","","","","","","","DIBENZOYLFURAN DERIV","","COC1=CC(=CC(=C1OC)OC)C(=O)C2=COC=C2C(=O)C3=CC4=C(C=C3)OCO4","VYYTXYSWNCYNIT-UHFFFAOYSA-N","282697",NA,"PDBC34113","136513","Present"
-"Dibenzoylmethane","","","","","","","","","","","","","","","","","","","","dibenzoylmethane","","C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2","NZZIMKJIVMHWJC-UHFFFAOYSA-N","8433",NA,"PDBC34114","6266","Present"
-"Dibenzoyloxytin; (1Z,4Z,9Z,15Z)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin","","","","","","","","","","","","","","","","","","","","Dibenzoyloxytin; (1Z,4Z,9Z,15Z)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin","","","","",NA,"PDBC34115","650044","Present"
-"Dibenzyl 1,4,7,10,13-pentaazacyclopentadecane-1,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dibenzyl 1,4,7,10,13-pentazacyclopentadecane-1,7-dicarboxylate","","C1CNCCN(CCNCCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","VHURGJDXQYGKNG-UHFFFAOYSA-N","393895",NA,"PDBC34116","696855","Present"
-"Dibenzyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","XLXMYMNBHSMTEB-UHFFFAOYSA-N","","C1CN(CCNCCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","XLXMYMNBHSMTEB-UHFFFAOYSA-N","393883",NA,"PDBC34117","696844","Present"
-"Dibenzyl 2,2-bis((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)malonate","","","","","","","","","","","","","","","","","","","","Dibenzyl 2,2-bis((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)malonate","","C1=CC=C(C=C1)COC(=O)C(CN2C(=O)C3=CC=CC=C3C2=O)(CN4C(=O)C5=CC=CC=C5C4=O)C(=O)OCC6=CC=CC=C6","UCYDATXYVZPWOZ-UHFFFAOYSA-N","381436",NA,"PDBC34118","668024","Present"
-"Dibenzyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","dibenzyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dih...","","CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC4=CC=CC=C4","MEZJIRPCHJSUDA-UHFFFAOYSA-N","155816524",NA,"PDBC34119","788815","Present"
-"Dibenzyl 2-((((benzyloxy)carbonyl)amino)methyl)malonate","","","","","","","","","","","","","","","","","","","","Dibenzyl 2-((((benzyloxy)carbonyl)amino)methyl)malonate","","C1=CC=C(C=C1)COC(=O)C(CNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","JPVIUUYQWFQLRB-UHFFFAOYSA-N","381435",NA,"PDBC34120","668023","Present"
-"Dibenzyl 2-(3-(4-(benzyloxy)anilino)-3-oxopropyl)malonate","","","","","","","","","","","","","","","","","","","","Dibenzyl 2-(3-(4-(benzyloxy)anilino)-3-oxopropyl)malonate","","C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","OLHZWRVKHSBGKN-UHFFFAOYSA-N","382145",NA,"PDBC34121","669589","Present"
-"Dibenzyl 2-amino-3-methyl-6-oxopurin-3-ium-1,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dibenzyl 2-amino-3-methyl-6-oxopurin-3-ium-1,7-dicarboxylate","","C[N+]1=C(N(C(=O)C2=C1N=CN2C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N","LYUFJOFVCBOEON-UHFFFAOYSA-O","358316",NA,"PDBC34122","618277","Present"
-"Dibenzyl 2-aminosuccinate 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","VA50670","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)N","HLMUYZYLPUHSNV-UHFFFAOYSA-N","353536",NA,"PDBC34123","602076","Present"
-"Dibenzyl 3,4-dioxohexanedioate","","","","","","","","","","","","","","","","","","","","Dibenzyl 3,4-dioxohexanedioate","","C1=CC=C(C=C1)COC(=O)CC(=O)C(=O)CC(=O)OCC2=CC=CC=C2","KMFAWNWFQZNDSH-UHFFFAOYSA-N","372207",NA,"PDBC34124","647158","Present"
-"Dibenzyl 4,10-bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dibenzyl 4,10-bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate","","C1CCN(CC1)C(=O)CN2CCN(CCN(CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)N4CCCCC4)C(=O)OCC5=CC=CC=C5","ATBIKWDPTMANRY-UHFFFAOYSA-N","393891",NA,"PDBC34125","696851","Present"
-"Dibenzyl [5-(dibenzyloxyphosphoryloxymethyl)-2,5-diethoxy-1,4-dioxan-2-yl]methyl phosphate","","","","","","","","","","","","","","","","","","","","Dibenzyl [5-(dibenzyloxyphosphoryloxymethyl)-2,5-diethoxy-1,4-dioxan-2-yl]methyl phosphate","","CCOC1(COC(CO1)(COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC)COP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5","VNFOSTPGFOALAJ-UHFFFAOYSA-N","373087",NA,"PDBC34126","649007","Present"
-"Dibenzyl-bis(8-quinolyloxy)stannane","","","","","","","","","","","","","","","","","","","","Dibenzyl-bis(8-quinolyloxy)stannane","","C1=CC=C(C=C1)C[Sn](CC2=CC=CC=C2)(OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6","KYXKUZPOXYZNTD-UHFFFAOYSA-L","16683147",NA,"PDBC34127","628589","Present"
-"Dibenzyl-bis(8-quinolylsulfanyl)stannane","","","","","","","","","","","","","","","","","","","","Dibenzyl-bis(8-quinolylsulfanyl)stannane","","C1=CC=C(C=C1)C[Sn](CC2=CC=CC=C2)(SC3=CC=CC4=C3N=CC=C4)SC5=CC=CC6=C5N=CC=C6","ZAKBFTNZHVZBOI-UHFFFAOYSA-L","9569947",NA,"PDBC34128","628590","Present"
-"Dibenzylideneacetone","","","","","","","","","","","","","","","","","","","","Dibenzalacetone","","C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2","WMKGGPCROCCUDY-PHEQNACWSA-N","640180",NA,"PDBC34129","623642","Present"
-"Dibromo(1-phenylbutane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Dibromo(1-phenylbutane-1,3-dionato)titanium(IV)","","","","",NA,"PDBC34130","635150","Present"
-"Dibromobis(1,3-diphenyl-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Dibromobis(1,3-diphenyl-1,3-dionato)titanium(IV)","","","","",NA,"PDBC34131","635156","Present"
-"Dibromobis(pentane-2,4-dionato)zirconium(IV)","","","","","","","","","","","","","","","","","","","","Dibromobis(pentane-2,4-dionato)zirconium(IV)","","","","",NA,"PDBC34132","635147","Present"
-"Dibromsalan","","","","","","","","","","","","","","","","","","","","NSC20527///NSC81947","","C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Br","CTFFKFYWSOSIAA-UHFFFAOYSA-N","14839",NA,"PDBC34133","20527///81947","Present"
-"Dibromsalicil","","","","","","","","","","","","","","","","","","","","dibrosal","","C1=CC(=C(C=C1Br)C(=O)C(=O)C2=C(C=CC(=C2)Br)O)O","AAOYLOCWJSLLJU-UHFFFAOYSA-N","10662",NA,"PDBC34134","13235","Present"
-"Dibutyl 2-phosphono-3-(5-methyl-2-furan)acrylonitrile","","","","","","","","","","","","","","","","","","","","Dibutyl 2-phosphono-3-(5-methyl-2-furan)acrylonitrile","","CCCCOP(=O)(C(=CC1=CC=C(O1)C)C#N)OCCCC","JNVCYZQGVVZUDS-FOWTUZBSSA-N","5467936",NA,"PDBC34135","660158","Present"
-"Dibutyl 3,5-bis(4-chlorophenyl)-1,1-dioxo-1,4-thiazinane-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dibutyl 3,5-bis(4-chlorophenyl)thiomorpholine-2,6-dicarboxylate 1,1-dioxide","","CCCCOC(=O)C1C(NC(C(S1(=O)=O)C(=O)OCCCC)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","VJWMSMOLIQWFJP-UHFFFAOYSA-N","368562",NA,"PDBC34136","639638","Present"
-"Dibutyl 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dibutyl 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate","","CCCCOC(=O)C1C2CCC(C1C(=O)OCCCC)O2","PYJMIPFOSSSQPP-UHFFFAOYSA-N","369527",NA,"PDBC34137","641384","Present"
-"Dibutyl(bis((2,4,5-trimethoxybenzoyl)oxy))stannane","","","","","","","","","","","","","","","","","","","","Dibutyl(bis((2,4,5-trimethoxybenzoyl)oxy))stannane","","CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1OC)OC)OC)OC(=O)C2=CC(=C(C=C2OC)OC)OC","DJOGSWMGNUFBTG-UHFFFAOYSA-L","16683573",NA,"PDBC34138","643837","Present"
-"Dibutyl(bis((3,4,5-trimethoxybenzoyl)oxy))stannane","","","","","","","","","","","","","","","","","","","","Dibutyl(bis((3,4,5-trimethoxybenzoyl)oxy))stannane","","CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC","JFRMRNAMFYAHPG-UHFFFAOYSA-L","16683185",NA,"PDBC34139","643835","Present"
-"Dibutyl(bis((3-(2-fluorophenyl)acryloyl)oxy))stannane","","","","","","","","","","","","","","","","","","","","Dibutyl(bis((3-(2-fluorophenyl)acryloyl)oxy))stannane","","CCCC[Sn](CCCC)(OC(=O)C=CC1=CC=CC=C1F)OC(=O)C=CC2=CC=CC=C2F","BZBGKPAQSJMVQS-LWJYSMRHSA-L","16683204",NA,"PDBC34140","643860","Present"
-"Dibutyl-bis(4,5-dihydrothiazol-2-ylsulfanyl)stannane","","","","","","","","","","","","","","","","","","","","Dibutyl-bis(4,5-dihydrothiazol-2-ylsulfanyl)stannane","","CCCC[Sn](CCCC)(SC1=NCCS1)SC2=NCCS2","NEZLJOHJOMWGEY-UHFFFAOYSA-L","9571331",NA,"PDBC34141","643864","Present"
-"Dibutyl-bis(8-quinolyloxy)stannane","","","","","","","","","","","","","","","","","","","","GNF-Pf-448","","CCCC[Sn](CCCC)(OC1=CC=CC2=C1N=CC=C2)OC3=CC=CC4=C3N=CC=C4","RHELNBIZSJLYLJ-UHFFFAOYSA-L","16683146",NA,"PDBC34142","628587","Present"
-"Dibutyl-bis(8-quinolylsulfanyl)stannane","","","","","","","","","","","","","","","","","","","","Dibutyl-bis(8-quinolylsulfanyl)stannane","","CCCC[Sn](CCCC)(SC1=CC=CC2=C1N=CC=C2)SC3=CC=CC4=C3N=CC=C4","XFDRJUCVHMLTFN-UHFFFAOYSA-L","9569946",NA,"PDBC34143","628588","Present"
-"Dibutyltin diacetate","","","","","","","","","","","","","","","","","","","","diacetoxybutyltin","","CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C","JJLKTTCRRLHVGL-UHFFFAOYSA-L","16682740",NA,"PDBC34144","8786","Present"
-"Dibutyltin dichloride","","","","","","","","","","","","","","","","","","","","D.b.t.c.","","CCCC[Sn](CCCC)(Cl)Cl","RJGHQTVXGKYATR-UHFFFAOYSA-L","12688",NA,"PDBC34145","2604","Present"
-"Dibutyltin oxide","","","","","","","","","","","","","","","","","","","","dibutyloxotin","","CCCC[Sn](=O)CCCC","JGFBRKRYDCGYKD-UHFFFAOYSA-N","61221",NA,"PDBC34146","28130","Present"
-"Dibutyltin;[(Z)-C-sulfaniumyl-N-[(Z)-1-thiophen-2-ylethylideneamino]carbonimidoyl]azanide","","","","","","","","","","","","","","","","","","","","Dibutyltin;[(Z)-C-sulfaniumyl-N-[(Z)-1-thiophen-2-ylethylideneamino]carbonimidoyl]azanide","","","","",NA,"PDBC34147","630455","Present"
-"Dibutyltin;[(Z)-N-[(Z)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide;[(Z)-N-[(E)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide","","","","","","","","","","","","","","","","","","","","Dibutyltin;[(Z)-N-[(Z)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide;[(Z)-N-[(E)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide","","","","",NA,"PDBC34148","630454","Present"
-"Dicarbamoyl-[2-(2-chloroanilino)-2-thioxo-ethylidene]ammonium","","","","","","","","","","","","","","","","","","","","Dicarbamoyl-[2-(2-chloroanilino)-2-thioxo-ethylidene]ammonium","","C1=CC=C(C(=C1)NC(=S)C=[N+](C(=O)N)C(=O)N)Cl","PCBATRFKFAWWBO-UHFFFAOYSA-O","3004531",NA,"PDBC34149","658303","Present"
-"Dicarbonyl(1,3-propanedionato)iridium(I)","","","","","","","","","","","","","","","","","","","","Dicarbonyl(1,3-diphenyl-1,3-propanedionato)iridium(I)","","[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ir]","SOCAYSLRTNUPQH-UHFFFAOYSA-N","6711630",NA,"PDBC34150","632880","Present"
-"Dicarbonyl(1-phenylbutane-1,3-dionato)iridium(I)","","","","","","","","","","","","","","","","","","","","Dicarbonyl(1-phenylbutane-1,3-dionato)iridium(I)","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[Ir]","SGJBVAMNCNIFFE-UHFFFAOYSA-N","6711625",NA,"PDBC34151","632875","Present"
-"Dicarbonyl[1-(4-N,N-dimethylamine-phenylazo)naphthaline-2-olato]iridium(I)","","","","","","","","","","","","","","","","","","","","Dicarbonyl[1-(4-N,N-dimethylamine-phenylazo)naphthaline-...","","CN(C)C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].[C-]#[O+].[C-]#[O+].[Ir]","DAGZUZWQBLAXGA-UHFFFAOYSA-M","6711626",NA,"PDBC34152","632876","Present"
-"Dicarbonyl[1-(4-N,N1)]iridium(I)","","","","","","","","","","","","","","","","","","","","Dicarbonyl[1-(4-N,N-dimethylaminophenyl-NC-azomethine)- ...","","CN(C)C1=CC=C(C=C1)N=CC2=C(C=CC3=CC=CC=C32)[O-].[C-]#[O+].[C-]#[O+].[Ir]","PBSCJNGXRORBJB-UHFFFAOYSA-M","6711628",NA,"PDBC34153","632878","Present"
-"Dicarbonyl[1-(4-cyanaphenyl-NC-azomethyine)-naphthaline-2-olato(O1,N1)]iridium(I)","","","","","","","","","","","","","","","","","","","","Dicarbonyl[1-(4-cyanaphenyl-NC-azomethyine)- naphthaline...","","[C-]#[O+].[C-]#[O+].C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)C#N)[O-].[Ir]","VEEOTBGXSVNKDQ-UHFFFAOYSA-M","6711631",NA,"PDBC34154","632882","Present"
-"Dicarbonyl[1-(phenylazo)naphthaline-2-olato(O1,N1)]-iridium(I)","","","","","","","","","","","","","","","","","","","","Dicarbonyl[1-(phenylazo)naphthaline-2-olato(O1,N1)]- iri...","","[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].[Ir]","SSNRRGDULXKBGF-UHFFFAOYSA-M","6711627",NA,"PDBC34155","632877","Present"
-"Dichapetalin A","","","","","","","","","","","","","","","","","","","","Dichapetalin A","","CC(=CC1CC(C(=O)O1)C2CCC34C2(C3)C=CC5C4(C(CC6C5(CC=C7C6(COC(C7)C8=CC=CC=C8)C)C)O)C)CO","LRJFCTOUXFAGON-NNLSLSRSSA-N","5469156",NA,"PDBC34156","683690","Present"
-"Dichloro(1,10,16-tetraoxa-4,13-diazoniacyclooctadecane)-platinum(IV)dichloride","","","","","","","","","","","","","","","","","","","","Dichloro(1,7,10,16-tetraoxa-4,13-diazoniacyclooctadecane...","","C1C[OH+]CC[OH+]CCNCC[OH+]CC[OH+]CCN1.Cl.[Cl-].[Pt+4]","ZMKOKPVQRXGSFN-UHFFFAOYSA-Q","54608807",NA,"PDBC34157","633559","Present"
-"Dichloro(1,12-diphenyldodecane-1,3,10,12-tetraonato) tit...","","","","","","","","","","","","","","","","","","","","Dichloro(1,12-diphenyldodecane-1,3,10,12-tetraonato) tit...","","","","",NA,"PDBC34158","635907","Present"
-"Dichloro(1,14-diphenyltetradecane-1,13,12,14- tetraonato...","","","","","","","","","","","","","","","","","","","","Dichloro(1,14-diphenyltetradecane-1,13,12,14- tetraonato...","","","","",NA,"PDBC34159","635911","Present"
-"Dichloro(1-phenyl-1,3-butanedionato)bis(triphenylphosphi...","","","","","","","","","","","","","","","","","","","","Dichloro(1-phenyl-1,3-butanedionato)bis(triphenylphosphi...","","","","",NA,"PDBC34160","632806","Present"
-"Dichloro(2,4H-diazine-5-methylchloride-1-on-3-olato) tit...","","","","","","","","","","","","","","","","","","","","Dichloro(2,4H-diazine-5-methylchloride-1-on-3-olato) tit...","","","","",NA,"PDBC34161","639098","Present"
-"Dichloro(4,N')platinum","","","","","","","","","","","","","","","","","","","","Dichloro(4,5-dimethyl-o-phenylenediamine)platinum(II)","","CC1=CC(=C(C=C1C)[NH-])[NH-].Cl[Pt+2]Cl","DOIGLVPYOVTOIY-UHFFFAOYSA-L","427639",NA,"PDBC34162","215153","Present"
-"Dichloro(4-N,N-dimethylamine-1-hydroxybenzolato-O-)-bismuth(III)-hydrochloride","","","","","","","","","","","","","","","","","","","","Dichloro(4-N,N-dimethylamine-1-hydroxybenzolato-O-)- bis...","","CN(C)C1=CC=C(C=C1)O[Bi](Cl)Cl.Cl","VQFCMUWWSHDZGO-UHFFFAOYSA-K","16683563",NA,"PDBC34163","632811","Present"
-"Dichloro(diphenyl)stannane; 1,4,7,10,13,16-hexaoxacyclooctadecane","","","","","","","","","","","","","","","","","","","","Stannane, dichlorodiphenyl-, compd. with 1,4,7,10,13,16-...","","C1COCCOCCOCCOCCOCCO1.C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl","OOPVFLFMNVTDQX-UHFFFAOYSA-L","338856",NA,"PDBC34164","363143","Present"
-"Dichloro(dipropyl)stannane;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol","","","","","","","","","","","","","","","","","","","","Phenol, 2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]bis-...","","CCC[Sn](CCC)(Cl)Cl.C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2O)O","FKSVBEYZSPODQH-UHFFFAOYSA-L","425443",NA,"PDBC34165","174218","Present"
-"Dichloro(pyridine-2-ethanolato)bismuth(III)hydrochloride","","","","","","","","","","","","","","","","","","","","Dichloro(pyridine-2-ethanolato)bismuth(III)hydrochloride","","","","",NA,"PDBC34166","634364","Present"
-"Dichloro-(3-chloro-1-methyl-2,4-dioxo-3-quinolyl)methanesulfonic acid; pyridine","","","","","","","","","","","","","","","","","","","","Dichloro-(3-chloro-1-methyl-2,4-dioxo-3-quinolyl)methanesulfonic acid; pyridine","","CN1C2=CC=CC=C2C(=O)C(C1=O)(C(S(=O)(=O)O)(Cl)Cl)Cl.C1=CC=NC=C1","UZUGYZVJLUHULR-UHFFFAOYSA-N","363690",NA,"PDBC34167","628806","Present"
-"Dichloro-18-crown-6-iron(III)[tetrachloroferrate(III)","","","","","","","","","","","","","","","","","","","","Dichloro-18-crown-6-iron(III)[tetrachloroferrate(III)","","","","",NA,"PDBC34168","634043","Present"
-"Dichloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]iron","","","","","","","","","","","","","","","","","","","","Dichloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]iron","","","","",NA,"PDBC34169","625858","Present"
-"Dichloro-bis(2-formylphenoxy)titanium","","","","","","","","","","","","","","","","","","","","Dichloro-bis(2-formylphenoxy)titanium","","","","",NA,"PDBC34170","644927","Present"
-"Dichloro-bis[6-(phenylsulfanylmethyl)-1,3-benzodioxol-5-yl]palladium","","","","","","","","","","","","","","","","","","","","Dichloro-bis[6-(phenylsulfanylmethyl)-1,3-benzodioxol-5-yl]palladium","","","","",NA,"PDBC34171","648084","Present"
-"Dichloroallyl lawsone","","","","","","","","","","","","","","","","","","","","Dichloroallyl lawsone","","C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O","LWQZLQISFLBSGW-UHFFFAOYSA-N","277767",NA,"PDBC34172","126771","Present"
-"Dichloroallyl lawsone, sodium salt","","","","","","","","","","","","","","","","","","","","Dichloroallyl lawsone, sodium salt","","C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O.[Na+]","IMOJXPUCVYQJCF-UHFFFAOYSA-N","54610148",NA,"PDBC34173","136592","Present"
-"Dichlorobis(1,2-dichlorglyoximato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(1,2-dichlorglyoximato)titanium(IV)","","","","",NA,"PDBC34174","639090","Present"
-"Dichlorobis(1,2-diphenylglyoximato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(1,2-diphenylglyoximato)titanium(IV)","","","","",NA,"PDBC34175","639088","Present"
-"Dichlorobis(1,3-diphenyl-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(1,3-diphenyl-1,3-dionato)titanium(IV)","","","","",NA,"PDBC34176","635158","Present"
-"Dichlorobis(1-phenylbutane-1,3-dionato)molybdenum(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(1-phenylbutane-1,3-dionato)molybdenum(IV)","","","","",NA,"PDBC34177","632589","Present"
-"Dichlorobis(1-phenylbutane-1,3-dionato)zirconium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(1-phenylbutane-1,3-dionato)zirconium(IV)","","","","",NA,"PDBC34178","635148","Present"
-"Dichlorobis(1-phenylpropane-1,2-dioximato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(1-phenylpropane-1,2-dioximato)titanium(IV)","","","","",NA,"PDBC34179","639089","Present"
-"Dichlorobis(1H,3-diazole-5,5-diphenyl-4-on-2-olato) tita...","","","","","","","","","","","","","","","","","","","","Dichlorobis(1H,3-diazole-5,5-diphenyl-4-on-2-olato) tita...","","","","",NA,"PDBC34180","639096","Present"
-"Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)- ger...","","","","","","","","","","","","","","","","","","","","Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)- ger...","","","","",NA,"PDBC34181","632588","Present"
-"Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)silic...","","","","","","","","","","","","","","","","","","","","Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)silic...","","","","",NA,"PDBC34182","632740","Present"
-"Dichlorobis(2-trimethylacetyl-1,3-indanedionato)tin(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(2-trimethylacetyl-1,3-indanedionato)tin(IV)","","","","",NA,"PDBC34183","639607","Present"
-"Dichlorobis(3-phenylpentane-2,4-dionato)hafnium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(3-phenylpentane-2,4-dionato)hafnium(IV)","","","","",NA,"PDBC34184","638366","Present"
-"Dichlorobis(4-N,N-dimethylamine-1-nitrosyl-2-hydroxy-ben...","","","","","","","","","","","","","","","","","","","","Dichlorobis(4-N,N-dimethylamine-1-nitrosyl-2-hydroxy-ben...","","","","",NA,"PDBC34185","632865","Present"
-"Dichlorobis(7,8-benzo-1,3-diazaspiro[4,5]decane-4-on- 2-...","","","","","","","","","","","","","","","","","","","","Dichlorobis(7,8-benzo-1,3-diazaspiro[4,5]decane-4-on- 2-...","","","","",NA,"PDBC34186","639596","Present"
-"Dichlorobis(N,N-dimethyl-5-amino-2-nitroso-phenolato) ti...","","","","","","","","","","","","","","","","","","","","Dichlorobis(N,N-dimethyl-5-amino-2-nitroso-phenolato) ti...","","","","",NA,"PDBC34187","638753","Present"
-"Dichlorobis(glyoximato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(glyoximato)titanium(IV)","","","","",NA,"PDBC34188","639091","Present"
-"Dichlorobis(pentane-2,4-dionato)hafnium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(pentane-2,4-dionato)hafnium(IV)","","","","",NA,"PDBC34189","635145","Present"
-"Dichlorobis(pentane-2,4-dionato)zirconium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobis(pentane-2,4-dionato)zirconium(IV)","","","","",NA,"PDBC34190","635146","Present"
-"Dichlorobis-.alpha.-benzileoximatoruthenium(III)","","","","","","","","","","","","","","","","","","","","Dichlorobis-.alpha.-benzileoximatoruthenium(III)","","","","",NA,"PDBC34191","632617","Present"
-"Dichlorobis[1-(4-nitrophenyl)-3-phenylpropane-1,3-dionat...","","","","","","","","","","","","","","","","","","","","Dichlorobis[1-(4-nitrophenyl)-3-phenylpropane-1,3-dionat...","","","","",NA,"PDBC34192","637209","Present"
-"Dichlorobis[N,N'-bis(1-hydroxymethylpropyl)ethylenediami...","","","","","","","","","","","","","","","","","","","","Dichlorobis[N,N'-bis(1-hydroxymethylpropyl)ethylenediami...","","","","",NA,"PDBC34193","647059","Present"
-"Dichlorobisindenyltitanium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobisindenyltitanium(IV)","","","","",NA,"PDBC34194","635155","Present"
-"Dichlorobisoxinatotitanium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobisoxinatotitanium(IV)","","","","",NA,"PDBC34195","635157","Present"
-"Dichlorobispyridinebis(triphenylphosphine)ruthenium(II)","","","","","","","","","","","","","","","","","","","","Dichlorobispyridinebis(triphenylphosphine)ruthenium(II)","","","","",NA,"PDBC34196","632867","Present"
-"Dichlorobistropolonato-germanium(IV)","","","","","","","","","","","","","","","","","","","","Dichlorobistropolonato-germanium(IV)","","","","",NA,"PDBC34197","632745","Present"
-"Dichlorocobalt; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine","","","","","","","","","","","","","","","","","","","","Dichlorocobalt; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine","","","","",NA,"PDBC34198","625541","Present"
-"Dichlorocopper; 1,1-dimethyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","Dichlorocopper; 1,1-dimethyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea","","","","",NA,"PDBC34199","647133","Present"
-"Dichlorocopper; [3-[2-dimethylaminoethyl(methyl)amino]-2-octadecanoyloxy-propyl] octadecanoate","","","","","","","","","","","","","","","","","","","","Dichlorocopper; [3-[2-dimethylaminoethyl(methyl)amino]-2-octadecanoyloxy-propyl] octadecanoate","","","","",NA,"PDBC34200","625420","Present"
-"Dichlorocopper;N'-(2,3-dihexadecoxypropyl)-N,N,N'-trimethylethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","Dichlorocopper;N'-(2,3-dihexadecoxypropyl)-N,N,N'-trimethylethane-1,2-diamine","","","","",NA,"PDBC34201","625419","Present"
-"Dichlorodibutoxy[1-(4-methoxyphenyl)-3-phenyl-1,3-butane...","","","","","","","","","","","","","","","","","","","","Dichlorodibutoxy[1-(4-methoxyphenyl)-3-phenyl-1,3-butane...","","","","",NA,"PDBC34202","632861","Present"
-"Dichlorodiethoxy(1-phenyl-1,3-butanedionato)niobium(V)","","","","","","","","","","","","","","","","","","","","Dichlorodiethoxy(1-phenyl-1,3-butanedionato)niobium(V)","","","","",NA,"PDBC34203","632799","Present"
-"Dichlorodiethoxy(1-phenyl-1,3-butanedionato)tantalum(V)","","","","","","","","","","","","","","","","","","","","Dichlorodiethoxy(1-phenyl-1,3-butanedionato)tantalum(V)","","","","",NA,"PDBC34204","632860","Present"
-"Dichlorodiethoxy(2,4-pentanedionato)niobium(V)","","","","","","","","","","","","","","","","","","","","Dichlorodiethoxy(2,4-pentanedionato)niobium(V)","","","","",NA,"PDBC34205","632798","Present"
-"Dichlorodiethoxy(2,4-pentanedionato)tantalum(V)","","","","","","","","","","","","","","","","","","","","Dichlorodiethoxy(2,4-pentanedionato)tantalum(V)","","","","",NA,"PDBC34206","632859","Present"
-"Dichlorodiethoxy[1-(4-methoxyphenyl)-3-phenyl-1,3- propa...","","","","","","","","","","","","","","","","","","","","Dichlorodiethoxy[1-(4-methoxyphenyl)-3-phenyl-1,3- propa...","","","","",NA,"PDBC34207","632801","Present"
-"Dichlorodioctylstannane","","","","","","","","","","","","","","","","","","","","dotc","","CCCCCCCC[Sn](CCCCCCCC)(Cl)Cl","SBOSGIJGEHWBKV-UHFFFAOYSA-L","77080",NA,"PDBC34208","102574","Present"
-"Dichlorodipropionato(1,3-diphenyl-1,3-propanedionato)- n...","","","","","","","","","","","","","","","","","","","","Dichlorodipropionato(1,3-diphenyl-1,3-propanedionato)- n...","","","","",NA,"PDBC34209","632800","Present"
-"Dichlorodipropylstannane","","","","","","","","","","","","","","","","","","","","dichlorodipropyltin","","CCC[Sn](CCC)(Cl)Cl","CTRHCENQKGMZLE-UHFFFAOYSA-L","93562",NA,"PDBC34210","92618","Present"
-"Dichloroethoxyoxodiphenylphosphinerhenium(V)","","","","","","","","","","","","","","","","","","","","Dichloroethoxyoxodiphenylphosphinerhenium(V)","","","","",NA,"PDBC34211","632807","Present"
-"Dichlorohydridotris(1,3-diphenyl-1,3-propanedionato) sil...","","","","","","","","","","","","","","","","","","","","Dichlorohydridotris(1,3-diphenyl-1,3-propanedionato) sil...","","","","",NA,"PDBC34212","632863","Present"
-"Dichloromethyl(diethyl)phosphine oxide","","","","","","","","","","","","","","","","","","","","Dichloromethyl(diethyl)phosphine oxide","","CCP(=O)(CC)C(Cl)Cl","UMVGBZCVMRZRNW-UHFFFAOYSA-N","383110",NA,"PDBC34213","671154","Present"
-"Dichloropalladium;1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole;tripropylphosphane","","","","","","","","","","","","","","","","","","","","Dichloropalladium;1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole;tripropylphosphane","","","","",NA,"PDBC34214","654294","Present"
-"Dichlorophen","","","","","","","","","","","","","","","","","","","","DICHLOROPHENE","","C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O","MDNWOSOZYLHTCG-UHFFFAOYSA-N","3037",NA,"PDBC34215","757391","Present"
-"Dichlorophenyl-bis-triazolylpropanol","","","","","","","","","","","","","","","","","","","","UK-47265","","C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)(CN3C=NC=N3)O","CMGCKUPKNSSPER-UHFFFAOYSA-N","133777",NA,"PDBC34216","651919","Present"
-"Dichloroplatinum; 2-phenylselanylcyclohexanamine","","","","","","","","","","","","","","","","","","","","Dichloroplatinum; 2-phenylselanylcyclohexanamine","","","","",NA,"PDBC34217","638726","Present"
-"Dichloroplatinum; 3-diphenylphosphanyl-N,N-dimethyl-propan-1-amine","","","","","","","","","","","","","","","","","","","","Dichloroplatinum; 3-diphenylphosphanyl-N,N-dimethyl-propan-1-amine","","","","",NA,"PDBC34218","685471","Present"
-"Dichloroplatinum; 5-phenylselanyloctan-4-amine","","","","","","","","","","","","","","","","","","","","Dichloroplatinum; 5-phenylselanyloctan-4-amine","","","","",NA,"PDBC34219","638727","Present"
-"Dichloroplatinum; methyl N-[(E)-1-isoquinolylmethyleneamino]carbamodithioate","","","","","","","","","","","","","","","","","","","","Dichloroplatinum; methyl N-[(E)-1-isoquinolylmethyleneamino]carbamodithioate","","","","",NA,"PDBC34220","614802","Present"
-"Dichloroplatinum; trimethylsilylmethanamine","","","","","","","","","","","","","","","","","","","","Dichloroplatinum; trimethylsilylmethanamine","","","","",NA,"PDBC34221","626538","Present"
-"Dichlorotetrakis(4-chloro-1-hydroxy-3-methylbenzolato-O-...","","","","","","","","","","","","","","","","","","","","Dichlorotetrakis(4-chloro-1-hydroxy-3-methylbenzolato-O-...","","","","",NA,"PDBC34222","632805","Present"
-"Dichlorozinc;1,4,7,10-tetraza-13-phosphoniatetracyclo[5.5.1.04,13.010,13]tridecane","","","","","","","","","","","","","","","","","","","","Dichlorozinc;1,4,7,10-tetraza-13-phosphoniatetracyclo[5.5.1.04,13.010,13]tridecane","","","","",NA,"PDBC34223","629377","Present"
-"Dicopper;5-ethyl-2-oxoniobenzoate","","","","","","","","","","","","","","","","","","","","NSC684712","","CCC1=CC(=C(C=C1)[OH2+])C(=O)[O-].CCC1=CC(=C(C=C1)[OH2+])C(=O)[O-].CCC1=CC(=C(C=C1)[OH2+])C(=O)[O-].CCC1=CC(=C(C=C1)[OH2+])C(=O)[O-].[Cu+2].[Cu+2]","DNGDXRSFQYXVQP-UHFFFAOYSA-N","54608953",NA,"PDBC34224","684712","Present"
-"Dicoumarol derivative, 3","","","","","","","","","","","","","","","","","","","","CBDivE_015464","","CCOC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O","VZOCTAWZKUZTMQ-UHFFFAOYSA-N","54688728",NA,"PDBC34225","707684","Present"
-"Dicranolomin","","","","","","","","","","","","","","","","","","","","Dicranolomin","","C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4O)O)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O","ZFNKROZSXXJHKW-UHFFFAOYSA-N","5469097",NA,"PDBC34226","683133","Present"
-"Dictyocarpine","","","","","","","","","","","","","","","","","","","","Dictyocarpine","","CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4(C6C7O)O)OC)OCO5)OC(=O)C)OC)C","AIICBVJTYIFTLW-LTMFUONUSA-N","6711381",NA,"PDBC34227","624740","Present"
-"Dictyotriol A","","","","","","","","","","","","","","","","","","","","Dictyotriol A","","CC1=CCC2C1C(C(CC(C2=C)O)C(C)C(CC=C(C)C)O)O","QTQJXLVBOFJYKO-KNXWGQIOSA-N","13945212",NA,"PDBC34228","723998","Present"
-"Dicyanine","","","","","","","","","","","","","","","","","","","","Dicyanine","","CCN1C(CC(=CC=CC2CC(C3CC(CCC3N2CC)OCC)C)C4=C1C=CC(=C4)OCC)C","NRXPPTLTCKGVNB-ICCHMARZSA-N","54604657",NA,"PDBC34229","403534","Present"
-"Dicyclohexyl-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-sulfanylidene-lambda5-phosphane","","","","","","","","","","","","","","","","","","","","Dicyclohexyl-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-sulfanylidene-lambda5-phosphane","","C1CCC(CC1)P(=S)(C2CCCCC2)C(C3=CN=CC=C3)N4CCCC4","FBWTYIXFANPCFM-UHFFFAOYSA-N","329203",NA,"PDBC34230","310366","Present"
-"Didanosine","","","","","","","","","","","","","","","","","","","","Didanosine","","C1CC(OC1CO)N2C=NC3=C2N=CNC3=O","BXZVVICBKDXVGW-UHFFFAOYSA-N","135422442",NA,"PDBC34231","612049","Present"
-"Didemnimide A","","","","","","","","","","","","","","","","","","","","Didemnimide A","","C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN=CN4","HYVUONWSNKUQCE-UHFFFAOYSA-N","398493",NA,"PDBC34232","708404","Present"
-"Didemnimide B","","","","","","","","","","","","","","","","","","","","Didemnimide B","","C1=CC2=C(C=C1Br)NC=C2C3=C(C(=O)NC3=O)C4=CN=CN4","JAEXYIAXFPZAAX-UHFFFAOYSA-N","398495",NA,"PDBC34233","708406","Present"
-"Didemnin A, N-L-prolyl-2-L-allothreonine","","","","","","","","","","","","","","","","","","","","didemnin a, n-l-prolyl-2-l-allothreonine (9ci)","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","MMUFNCTVUTWOJE-LKZKYIBOSA-N","380319",NA,"PDBC34234","665803","Present"
-"Didemnin B aminomethylene","","","","","","","","","","","","","","","","","","","","Didemnin B aminomethylene","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)CC3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","GSWPCDZSGIJEFI-RBTPVWJHSA-N","400460",NA,"PDBC34235","712199","Present"
-"Dideoxydynemicin methyl ester","","","","","","","","","","","","","","","","","","","","Dideoxydynemicin methyl ester","","CC1C(=C(C2C#CC=CC#CC3C14C2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)OC)C(=O)OC","ULEYYFUGOOMZEF-MSPDUKJNSA-N","10029621",NA,"PDBC34236","679016","Present"
-"Didesmethylrocaglamide","","","","","","","","","","","","","","","","","","","","NSC705956///NSC825721","","COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)N)C5=CC=CC=C5","RMNPQEWLGQURNX-PXIJUOARSA-N","397614",NA,"PDBC34237","705956///825721","Present"
-"Didox","","","","","","","","","","","","","","","","","","","","Didox","","C1=CC(=C(C=C1C(=O)NO)O)O","QJMCKEPOKRERLN-UHFFFAOYSA-N","3045",NA,"PDBC34238","324360","Present"
-"Dienochlor","","","","","","","","","","","","","","","","","","","","Bi-2,4-cyclopentadien-1-yl, decachloro-","","C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","LWLJUMBEZJHXHV-UHFFFAOYSA-N","16686",NA,"PDBC34239","41880","Present"
-"Dienone B","","","","","","","","","","","","","","","","","","","","Dienone B","","C1=C(C(=O)C(=CC1(CC(=O)N)O)Br)Br","OPJJYFWUWHEWDE-UHFFFAOYSA-N","100324",NA,"PDBC34240","289074","Present"
-"Diepoxi acnistina-A","","","","","","","","","","","","","","","","","","","","diepoxi acnistina-A","","CC12CCC3C(C1CCC2(C4CC5(CC4OC(=O)C5(C)O)C)O)CC6C7(C3(C(=O)C8C(C7)O8)C)O6","MBNGHAVGCHJKQH-OFKULWMFSA-N","381708",NA,"PDBC34241","668557","Present"
-"Diethanolamine-germane","","","","","","","","","","","","","","","","","","","","Diethanolamine-germane","","","","",NA,"PDBC34242","638258","Present"
-"Diethoxoy(1,3,12,14-tetraonato) titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxoy(1,4-diphenyltetradecane-1,3,12,14-tetraonato) ...","","CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)CCCCCCCCC(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]","XUUUHFBWPXONSO-UHFFFAOYSA-N","366869",NA,"PDBC34243","635906","Present"
-"Diethoxy(1,3,10,12-tetraonato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxy(1,12-diphenyldodecane-1,3,10,12- tetraonato)tit...","","CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)CCCCCCC(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]","PVRFOZHCCIMYCR-UHFFFAOYSA-N","366871",NA,"PDBC34244","635909","Present"
-"Diethoxybis(1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(1,3-diphenylpropane-1,3-dionato)titanium(IV)","","CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]","YOGXMAOELFCPQC-UHFFFAOYSA-N","367473",NA,"PDBC34245","637208","Present"
-"Diethoxybis(1,4-naphthochinone-2-olato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(1,4-naphthochinone-2-olato)titanium(IV)","","CC[O-].CC[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].[Ti+4]","GREWJYYQYXWYSW-UHFFFAOYSA-L","368297",NA,"PDBC34246","638842","Present"
-"Diethoxybis(1-hydroxy-anthrachinone-4-olato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(1-hydroxy-anthrachinone-4-olato)titanium(IV)","","CC[O-].CC[O-].C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)[O-])O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)[O-])O.[Ti+4]","PXMRLWHQPGJTRU-UHFFFAOYSA-L","368282",NA,"PDBC34247","638751","Present"
-"Diethoxybis(1-phenylaminylbutane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(1-phenylaminylbutane-1,3-dionato)titanium(IV)","","CC[O-].CC[O-].CC(=O)[CH-]C(=O)NC1=CC=CC=C1.CC(=O)[CH-]C(=O)NC1=CC=CC=C1.[Ti+4]","UHADDROEUZBDLS-UHFFFAOYSA-N","135510149",NA,"PDBC34248","639095","Present"
-"Diethoxybis(1-phenylbutane-1,3-dionato)hafnium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(1-phenylbutane-1,3-dionato)hafnium(IV)","","CC[O-].CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Hf+4]","RGGYFXMTCBBMDB-UHFFFAOYSA-N","368051",NA,"PDBC34249","638374","Present"
-"Diethoxybis(1-phenylbutane-1,3-dionato)zirconium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(1-phenylbutane-1,3-dionato)zirconium(IV)","","CC[O-].CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Zr+4]","FHMWEYOGNJURDB-UHFFFAOYSA-N","368052",NA,"PDBC34250","638376","Present"
-"Diethoxybis(2,3-dioxane-4,6-dionato)titanium (IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(2,2-dimethyl-1,3-dioxane-4,6-dionato)titaniu...","","CC[O-].CC[O-].CC1(OC(=CC(=O)O1)[O-])C.CC1(OC(=CC(=O)O1)[O-])C.[Ti+4]","BHCPGELNOBBOJF-UHFFFAOYSA-L","24202324",NA,"PDBC34251","638743","Present"
-"Diethoxybis(2-acetyl-1,3-indanedionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(2-acetyl-1,3-indanedionato)titanium(IV)","","CC[O-].CC[O-].CC(=C1C(=O)C2=CC=CC=C2C1=O)[O-].CC(=C1C(=O)C2=CC=CC=C2C1=O)[O-].[Ti+4]","FWCHBENXTKWZKS-UHFFFAOYSA-L","368049",NA,"PDBC34252","638369","Present"
-"Diethoxybis(2-acetyl-1-hydrindonato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(2-acetyl-1-hydrindonato)titanium(IV)","","CC[O-].CC[O-].CC(=C1CC2=CC=CC=C2C1=O)[O-].CC(=C1CC2=CC=CC=C2C1=O)[O-].[Ti+4]","QICWVSNCEGUBAM-JPFZJSEDSA-L","5388596",NA,"PDBC34253","637211","Present"
-"Diethoxybis(2-benzoyl-1,3-indanedionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(2-benzoyl-1,3-indanedionato)titanium(IV)","","CC[O-].CC[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Ti+4]","QGXQZSPOCICROJ-UHFFFAOYSA-L","368061",NA,"PDBC34254","638386","Present"
-"Diethoxybis(2-phenyl-1,3-indanedionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(2-phenyl-1,3-indanedionato)titanium(IV)","","CC[O-].CC[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)[O-].[Ti+4]","AKOSZNKMBQJKLV-UHFFFAOYSA-L","368277",NA,"PDBC34255","638747","Present"
-"Diethoxybis(2-trimethylacetyl-1,3-indanedionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(2-trimethylacetyl-1,3-indanedionato)titanium...","","CC[O-].CC[O-].CC(C)(C)C(=C1C(=O)C2=CC=CC=C2C1=O)[O-].CC(C)(C)C(=C1C(=O)C2=CC=CC=C2C1=O)[O-].[Ti+4]","HFHXGTKSQPTZCB-UHFFFAOYSA-L","368275",NA,"PDBC34256","638741","Present"
-"Diethoxybis(3-phenylpentane-2,4-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(3-phenylpentane-2,4-dionato)titanium(IV)","","CC[O-].CC[O-].CC(=O)[C-](C1=CC=CC=C1)C(=O)C.CC(=O)[C-](C1=CC=CC=C1)C(=O)C.[Ti+4]","DERKXYCMLGQNGB-UHFFFAOYSA-N","368048",NA,"PDBC34257","638367","Present"
-"Diethoxybis(5-sulfochinoline-8-olato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(5-sulfochinoline-8-olato)titanium(IV)","","CC[O-].CC[O-].C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].[Ti+4]","NIYUOYZPHQBLCR-UHFFFAOYSA-J","24202326",NA,"PDBC34258","638840","Present"
-"Diethoxybis(6-nitroso-2-naphtholato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(6-nitroso-2-naphtholato)titanium(IV)","","CC[O-].CC[O-].C1=CC2=C(C=CC(=C2)[O-])C=C1N=O.C1=CC2=C(C=CC(=C2)[O-])C=C1N=O.[Ti+4]","OXWFERGAPWRHBU-UHFFFAOYSA-L","368283",NA,"PDBC34259","638752","Present"
-"Diethoxybis(N,N-dimethyl-4-aminophenolato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(N,N-dimethyl-4-aminophenolato)titanium(IV)","","CC[O-].CC[O-].CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].[Ti+4]","FIESOIXSMYMQBY-UHFFFAOYSA-L","24202325",NA,"PDBC34260","638746","Present"
-"Diethoxybis(pentane-2,4-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(pentane-2,4-dionato)titanium(IV)","","CC[O-].CC[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]","NCGPECBXPNZPSG-UHFFFAOYSA-N","366536",NA,"PDBC34261","635151","Present"
-"Diethoxybis(thiadiazoylaminophenolato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis(thiadiazoylaminophenolato)titanium(IV)","","CCO.CCO.C1=CC(=CC=C1NC2=NC=NS2)O.C1=CC(=CC=C1NC2=NC=NS2)O.[Ti]","VKDKMDMKCMCQLK-UHFFFAOYSA-N","368298",NA,"PDBC34262","638843","Present"
-"Diethoxybis[3-(1-adamantyl)-1-ethoxypropane-1,3-dionato] titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis[3-(1-adamantyl)-1-ethoxypropane-1,3-dionato]...","","CC[O-].CC[O-].CCOC(=O)[CH-]C(=O)C12CC3CC(C1)CC(C3)C2.CCOC(=O)[CH-]C(=O)C12CC3CC(C1)CC(C3)C2.[Ti+4]","OMNLGXROGNRZDP-UHFFFAOYSA-N","368331",NA,"PDBC34263","639087","Present"
-"Diethoxybis{2-[phenyl(iminomethyl)]phenolato}titanium(IV)","","","","","","","","","","","","","","","","","","","","Diethoxybis{2-[phenyl(iminomethyl)]phenolato}titanium(IV)","","CC[O-].CC[O-].C1=CC=C(C=C1)N=CC2=CC=CC=C2[O-].C1=CC=C(C=C1)N=CC2=CC=CC=C2[O-].[Ti+4]","TYPNNPLGOCCCSQ-UHFFFAOYSA-L","368529",NA,"PDBC34264","639598","Present"
-"Diethoxyphosphorylurea","","","","","","","","","","","","","","","","","","","","Ureidophosphoric acid diethyl ester","","CCOP(=O)(NC(=O)N)OCC","NCNBKABXQGFOOF-UHFFFAOYSA-N","405926",NA,"PDBC34265","723653","Present"
-"Diethyl ((diphenylmethylene)amino)methylphosphonate","","","","","","","","","","","","","","","","","","","","Diethyl ((diphenylmethylene)amino)methylphosphonate","","CCOP(=O)(CN=C(C1=CC=CC=C1)C2=CC=CC=C2)OCC","NOVOZMJGMNDVGJ-UHFFFAOYSA-N","382180",NA,"PDBC34266","669639","Present"
-"Diethyl (2R)-2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl (2R)-2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","KWLWMAFSJNXVEE-OAQYLSRUSA-N","380467",NA,"PDBC34267","666063","Present"
-"Diethyl (2R)-2-[[4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl (2R)-2-[[4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","WNRMXJFDWZLAJB-GDSDEWBFSA-N","375036",NA,"PDBC34268","653862","Present"
-"Diethyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","Diethyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O","OSZHPZVUJYWBQM-VOMIJIAVSA-N","388715",NA,"PDBC34269","683775","Present"
-"Diethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-butanedioate","","","","","","","","","","","","","","","","","","","","Diethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-butanedioate","","","","",NA,"PDBC34270","645341","Present"
-"Diethyl (2Z)-2-[(4-chloro-2-nitro-phenyl)hydrazono]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((4-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazono)pentanedioate","","CCOC(=O)CCC(=NNC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C(=O)OCC","DFSGRQWTPWPHOU-PDGQHHTCSA-N","6518980",NA,"PDBC34271","674702","Present"
-"Diethyl (2Z)-2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]-3-oxo-butanedioate","","","","","","","","","","","","","","","","","","","","Diethyl (2Z)-2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]-3-oxo-butanedioate","","CCOC(=O)C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)C(=O)OCC","AAVHOKDVZMEXMI-NTMALXAHSA-N","3003243",NA,"PDBC34272","658338","Present"
-"Diethyl (3-fluoroanilino)(phenyl)methylphosphonate","","","","","","","","","","","","","","","","","","","","N-[Diethoxyphosphoryl(phenyl)methyl]-3-fluoro-aniline","","CCOP(=O)(C(C1=CC=CC=C1)NC2=CC(=CC=C2)F)OCC","WIIUAPPPPXMPEP-UHFFFAOYSA-N","385498",NA,"PDBC34273","676747","Present"
-"Diethyl (3Z)-2-oxo-3-[(pyridine-4-carbothioylamino)methylene]butanedioate","","","","","","","","","","","","","","","","","","","","Diethyl (3Z)-2-oxo-3-[(pyridine-4-carbothioylamino)methylene]butanedioate","","CCOC(=O)C(=C(C(=O)OCC)O)C=NC(=S)C1=CC=NC=C1","KZJLLLCJEZNRGN-VBTOXBFSSA-N","135409119",NA,"PDBC34274","658502","Present"
-"Diethyl (4-(dimethylamino)phenyl)(3-fluoroanilino)methylphosphonate","","","","","","","","","","","","","","","","","","","","N-[Diethoxyphosphoryl-(4-dimethylaminophenyl)methyl]-3-fluoro-aniline","","CCOP(=O)(C(C1=CC=C(C=C1)N(C)C)NC2=CC(=CC=C2)F)OCC","MXXDGBTZXDJCPB-UHFFFAOYSA-N","385497",NA,"PDBC34275","676746","Present"
-"Diethyl (4-bromobenzylidene)malonate","","","","","","","","","","","","","","","","","","","","DNDI1417400","","CCOC(=O)C(=CC1=CC=C(C=C1)Br)C(=O)OCC","AFYSUDAWCPZFEQ-UHFFFAOYSA-N","367432",NA,"PDBC34276","637153","Present"
-"Diethyl (4-fluoroanilino)(phenyl)methylphosphonate","","","","","","","","","","","","","","","","","","","","STK540348","","CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)F)OCC","UJIFTMKGZMKICP-UHFFFAOYSA-N","385496",NA,"PDBC34277","676745","Present"
-"Diethyl (4S,5S)-4,5-dihydroxy-2E,6E-octadienedioate","","","","","","","","","","","","","","","","","","","","Diethyl-(4S,5S)-4,5-bis(hydroxy)-2,6-octadienedioate","","CCOC(=O)C=CC(C(C=CC(=O)OCC)O)O","RNZPLYWOUIVQAS-HXEMQSDVSA-N","5468985",NA,"PDBC34278","680770","Present"
-"Diethyl (6S,8R)-6-methyl-5,9-bis(4-nitrophenyl)-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,10,13,15-pentaene-3,11-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl (6S,8R)-6-methyl-5,9-bis(4-nitrophenyl)-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,10,13,15-pentaene-3,11-dicarboxylate","","CCOC(=O)C1=NN(C2(N1C3=CC=CC=C3N4C(=NN(C4(C2)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)OCC)C)C7=CC=C(C=C7)[N+](=O)[O-]","AZSNWJZCHJVPIN-MPQUPPDSSA-N","388290",NA,"PDBC34279","682931","Present"
-"Diethyl (Boc-amino)malonate","","","","","","","","","","","","","","","","","","","","7V4Q8E9WWJ","","CCOC(=O)C(C(=O)OCC)NC(=O)OC(C)(C)C","ULRLHEXGRUWQLQ-UHFFFAOYSA-N","382219",NA,"PDBC34280","669676","Present"
-"Diethyl (E)-2-(2,4-dioxopyrimidin-1-yl)but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (E)-2-(2,4-dioxopyrimidin-1-yl)but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)NC1=O","XYMMVIVREVUTSP-BQYQJAHWSA-N","5468900",NA,"PDBC34281","678990","Present"
-"Diethyl (E)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (E)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=NC1=O)N","SWNPGNFPLOOVBG-BQYQJAHWSA-N","5468902",NA,"PDBC34282","678993","Present"
-"Diethyl (E)-2-(5-methyl-2,4-dioxo-3-prop-2-enylpyrimidin-1-yl)but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (E)-2-(5-methyl-2,4-dioxo-3-prop-2-enylpyrimidin-1-yl)but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC=C)C","INJQKIUGLGZYOW-FMIVXFBMSA-N","5468907",NA,"PDBC34283","679004","Present"
-"Diethyl (E)-2-(6-aminopurin-9-yl)but-2-enedioate","","","","","","","","","","","","","","","","","","","","Adenine, 9-[1,2-bis(ethoxycarbonyl)ethenyl]-, trans-","","CCOC(=O)C=C(C(=O)OCC)N1C=NC2=C(N=CN=C21)N","RXMVDZXOYSVTIX-VMPITWQZSA-N","5468903",NA,"PDBC34284","678994","Present"
-"Diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C","XJIIQYDLGGPEBE-MHWRWJLKSA-N","5469892",NA,"PDBC34285","693991","Present"
-"Diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C)C","NGINMNILOKAJNP-RQZCQDPDSA-N","5469900",NA,"PDBC34286","693999","Present"
-"Diethyl (E)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (E)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C","NSZSPICERMRNJM-SFQUDFHCSA-N","5469894",NA,"PDBC34287","693993","Present"
-"Diethyl (E)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (E)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C","MFRQIIGXALISSY-MHWRWJLKSA-N","5469893",NA,"PDBC34288","693992","Present"
-"Diethyl (E)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (E)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C","NUGBRNBQTLBKPJ-SFQUDFHCSA-N","5469895",NA,"PDBC34289","693994","Present"
-"Diethyl (Z)-(1-fluoro-2-phenylvinyl)phosphonate","","","","","","","","","","","","","","","","","","","","[(E)-alpha-Fluorostyryl]phosphonic acid diethyl ester","","CCOP(=O)(C(=CC1=CC=CC=C1)F)OCC","VUAMDAUEABLOIX-ZRDIBKRKSA-N","5921615",NA,"PDBC34290","682310","Present"
-"Diethyl (Z)-2-(2-acetamido-6-oxo-1H-purin-9-yl)but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-(2-acetamido-6-oxo-1H-purin-9-yl)but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=NC2=C1N=C(NC2=O)NC(=O)C","MJPJOOIHYRWIFH-TWGQIWQCSA-N","135509208",NA,"PDBC34291","678995","Present"
-"Diethyl (Z)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=NC1=O)N","SWNPGNFPLOOVBG-FPLPWBNLSA-N","5468901",NA,"PDBC34292","678992","Present"
-"Diethyl (Z)-2-[3-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-[3-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C(=O)C(=CN(C1=O)C2CC(C(O2)CO)N=[N+]=[N-])C","GFLQJWYHRKDFSF-GHXNOFRVSA-N","5470763",NA,"PDBC34293","704883","Present"
-"Diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C","XJIIQYDLGGPEBE-YBEGLDIGSA-N","5469888",NA,"PDBC34294","693987","Present"
-"Diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C)C","NGINMNILOKAJNP-MFOYZWKCSA-N","5469896",NA,"PDBC34295","693995","Present"
-"Diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C","NSZSPICERMRNJM-ATVHPVEESA-N","5469890",NA,"PDBC34296","693989","Present"
-"Diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C)C","HSFWRICAOGAAGF-WQRHYEAKSA-N","5469898",NA,"PDBC34297","693997","Present"
-"Diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C","MFRQIIGXALISSY-YBEGLDIGSA-N","5469889",NA,"PDBC34298","693988","Present"
-"Diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C)C","WTJLPHBHHWAOPN-MFOYZWKCSA-N","5469897",NA,"PDBC34299","693996","Present"
-"Diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C","NUGBRNBQTLBKPJ-ATVHPVEESA-N","5469891",NA,"PDBC34300","693990","Present"
-"Diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C)C","SYYDYBJDOSRRFB-WQRHYEAKSA-N","5469899",NA,"PDBC34301","693998","Present"
-"Diethyl 1,1-difluoro-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethylphosphonate","","","","","","","","","","","","","","","","","","","","5-(2-Diethoxyphosphoryl-2,2-difluoro-ethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine","","CCOP(=O)(C(CC1=CN=C(C2=C1COC(O2)(C)C)C)(F)F)OCC","HQTGUIPXCRAPJO-UHFFFAOYSA-N","379142",NA,"PDBC34302","663421","Present"
-"Diethyl 1,2,3,6,7,8-hexahydro-2,7-pyrenedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 1,2,3,6,7,8-hexahydro-2,7-pyrenedicarboxylate","","CCOC(=O)C1CC2=C3C(=CC=C4C3=C(CC(C4)C(=O)OCC)C=C2)C1","JETDWSROFTXRBR-UHFFFAOYSA-N","363410",NA,"PDBC34303","628314","Present"
-"Diethyl 1,3,2-dioxathiane-5,5-dicarboxylate 2-oxide","","","","","","","","","","","","","","","","","","","","Diethyl 1,3,2-dioxathiane-5,5-dicarboxylate 2-oxide","","CCOC(=O)C1(COS(=O)OC1)C(=O)OCC","NPDBYXRRUQDGPW-UHFFFAOYSA-N","373713",NA,"PDBC34304","650614","Present"
-"Diethyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate","","CCOC(=O)N1CCNCCN(CCNCC1)C(=O)OCC","SIUKZWPJXGDBKB-UHFFFAOYSA-N","387349",NA,"PDBC34305","681103","Present"
-"Diethyl 1,6-dihydropyrrolo[2,3-e]indole-2,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 1,6-dihydropyrrolo[2,3-e]indole-2,7-dicarboxylate","","CCOC(=O)C1=CC2=C(N1)C3=C(C=C2)NC(=C3)C(=O)OCC","CVFUUPDCCYVRID-UHFFFAOYSA-N","389557",NA,"PDBC34306","685862","Present"
-"Diethyl 1-(((cyanoamino)carbonyl)oxy)-1-methylethylphosphonate","","","","","","","","","","","","","","","","","","","","STK377724","","CCOP(=O)(C(C)(C)OC(=O)NC#N)OCC","HZMXAFKHWPRSQU-UHFFFAOYSA-N","382507",NA,"PDBC34307","670114","Present"
-"Diethyl 1-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)(methyl)amino)-2-methylpropylphosphonate","","","","","","","","","","","","","","","","","","","","Ethyl N-[2-[(1-diethoxyphosphoryl-2-methylpropyl)-methylamino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)N(C)C(C(C)C)P(=O)(OCC)OCC","NICZZHNMWYKNJJ-UHFFFAOYSA-N","383548",NA,"PDBC34308","671966","Present"
-"Diethyl 1-((diphenylmethylene)amino)-2-phenylethylphosphonate","","","","","","","","","","","","","","","","","","","","Diethyl 1-((diphenylmethylene)amino)-2-phenylethylphosphonate","","CCOP(=O)(C(CC1=CC=CC=C1)N=C(C2=CC=CC=C2)C3=CC=CC=C3)OCC","WLRUOTVHVFBTLE-UHFFFAOYSA-N","382230",NA,"PDBC34309","669685","Present"
-"Diethyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate","","","","","","","","","","","","","","","","","","","","Diethyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC)OCC","LNBKHNFBZUZDFR-UHFFFAOYSA-N","383543",NA,"PDBC34310","671961","Present"
-"Diethyl 1-((fluoro((trifluoromethyl)imino)methyl)(methyl)amino)-1-methylethylphosphonate","","","","","","","","","","","","","","","","","","","","N-(2-Diethoxyphosphorylpropan-2-yl)-N-methyl-N'-(trifluoromethyl)carbamimidoyl fluoride","","CCOP(=O)(C(C)(C)N(C)C(=NC(F)(F)F)F)OCC","BLNPJABOSUBJNU-OVCLIPMQSA-N","9556168",NA,"PDBC34311","670089","Present"
-"Diethyl 1-(1'-naphthyl)-1-(diphenylmethylamino)-methanephosphonate","","","","","","","","","","","","","","","","","","","","Diethyl 1-(1'-naphthyl)-1-(diphenylmethylamino)-methanep...","","CCOP(=O)(C(C1=CC=CC2=CC=CC=C21)NC(C3=CC=CC=C3)C4=CC=CC=C4)OCC","AYWDCPIOHASCIC-UHFFFAOYSA-N","24204395",NA,"PDBC34312","731721","Present"
-"Diethyl 1-(3'-thienyl)-1-(diphenylmethylamino)-methanephosphonate","","","","","","","","","","","","","","","","","","","","Diethyl 1-(3'-thienyl)-1-(diphenylmethylamino)-methaneph...","","CCOP(=O)(C(C1=CSC=C1)NC(C2=CC=CC=C2)C3=CC=CC=C3)OCC","MRYZRJZWTBURMD-UHFFFAOYSA-N","24204396",NA,"PDBC34313","731722","Present"
-"Diethyl 1-(4-ethoxy-4-oxobutyl)triazole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 1-(4-ethoxy-4-oxobutyl)-1h-1,2,3-triazole-4,5-dicarboxylate","","CCOC(=O)CCCN1C(=C(N=N1)C(=O)OCC)C(=O)OCC","NBOBHIZTHFROQM-UHFFFAOYSA-N","386528",NA,"PDBC34314","678960","Present"
-"Diethyl 1-(4-hydroxybutyl)triazole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 1-(4-hydroxybutyl)-1h-1,2,3-triazole-4,5-dicarboxylate","","CCOC(=O)C1=C(N(N=N1)CCCCO)C(=O)OCC","RLHPQEPXDTXLTK-UHFFFAOYSA-N","386529",NA,"PDBC34315","678961","Present"
-"Diethyl 1-(4-isopropylphenyl)-1-(diphenylmethylamino)-methanephospho nate","","","","","","","","","","","","","","","","","","","","Diethyl 1-(4-isopropylphenyl)-1-(diphenylmethylamino)-me...","","CCOP(=O)(C(C1=CC=C(C=C1)C(C)C)NC(C2=CC=CC=C2)C3=CC=CC=C3)OCC","RIEIMLVRKSHFKF-UHFFFAOYSA-N","24204779",NA,"PDBC34316","732918","Present"
-"Diethyl 1-(ethoxy(oxo)acetyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 1-(ethoxy(oxo)acetyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate","","CCOC(=O)C1=C(N(C(=C(C1)C(=O)OCC)C)C(=O)C(=O)OCC)C","YDOMTEZPKRUOCO-UHFFFAOYSA-N","377058",NA,"PDBC34317","658273","Present"
-"Diethyl 1-[15-[2,5-bis(ethoxycarbonyl)pyrrol-1-yl]-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaen-7-yl]pyrrole-2,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 1-[15-[2,5-bis(ethoxycarbonyl)pyrrol-1-yl]-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaen-7-yl]pyrrole-2,5-dicarboxylate","","CCOC(=O)C1=CC=C(N1C2=CC3=CC(=C2)CSCC4=CC(=CC(=C4)CSC3)N5C(=CC=C5C(=O)OCC)C(=O)OCC)C(=O)OCC","UJVOJEGGNSDTJM-UHFFFAOYSA-N","378543",NA,"PDBC34318","661177","Present"
-"Diethyl 1-aminothieno[3,2-a]indolizine-2,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3-aminothieno[3,2-a]indolizine-2,9-dicarboxylate","","CCOC(=O)C1=C2C(=C3N1C=CC=C3)C(=C(S2)C(=O)OCC)N","VMJHAFOOHPPYGP-UHFFFAOYSA-N","360880",NA,"PDBC34319","623586","Present"
-"Diethyl 1-benzamido-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 1-benzamido-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate","","CCOC(=O)C1=C(N(C2(C1(CCC2)C(=O)OCC)O)NC(=O)C3=CC=CC=C3)C","HLYXAXFDCUQPMV-UHFFFAOYSA-N","367824",NA,"PDBC34320","637899","Present"
-"Diethyl 1-benzyl-4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 1-benzyl-4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate","","CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2O)C(=O)OCC)C)CC3=CC=CC=C3)C","UTHMPSYIYGYNOS-UHFFFAOYSA-N","367769",NA,"PDBC34321","637708","Present"
-"Diethyl 1-ethyl-3-phenyl-1,3-diazinane-5,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 1-ethyl-3-phenyl-1,3-diazinane-5,5-dicarboxylate","","CCN1CC(CN(C1)C2=CC=CC=C2)(C(=O)OCC)C(=O)OCC","OGWRZIKWNNEAKG-UHFFFAOYSA-N","399772",NA,"PDBC34322","710867","Present"
-"Diethyl 1-hexynyl phosphate","","","","","","","","","","","","","","","","","","","","Diethyl 1-hexynyl phosphate","","CCCCC#COP(=O)(OCC)OCC","SRHMQOZWLWWSEC-UHFFFAOYSA-N","371541",NA,"PDBC34323","645869","Present"
-"Diethyl 1-methyl-1-((3,3,3-trifluoro-2-(trifluoromethyl)propanoyl)amino)propylphosphonate","","","","","","","","","","","","","","","","","","","","NSC670108///NSC670112","","CCC(C)(NC(=O)C(C(F)(F)F)C(F)(F)F)P(=O)(OCC)OCC","AXLQQLMINZHZAL-UHFFFAOYSA-N","382502",NA,"PDBC34324","670108///670112","Present"
-"Diethyl 1-methyl-1-((6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amino)propylphosphonate","","","","","","","","","","","","","","","","","","","","6-(2-Diethoxyphosphorylbutan-2-ylamino)-4,4-bis(trifluoromethyl)-1,3-dihydro-1,3,5-triazin-2-one","","CCC(C)(NC1=NC(NC(=O)N1)(C(F)(F)F)C(F)(F)F)P(=O)(OCC)OCC","BGMLAPJXCULMRW-UHFFFAOYSA-N","382489",NA,"PDBC34325","670095","Present"
-"Diethyl 1-phenyl-1-(diphenylmethylamino)-methanephosphonate","","","","","","","","","","","","","","","","","","","","Diethyl 1-phenyl-1-(diphenylmethylamino)-methanephosphonate","","CCOP(=O)(C(C1=CC=CC=C1)NC(C2=CC=CC=C2)C3=CC=CC=C3)OCC","XONOQQSOIRLVGU-UHFFFAOYSA-N","12753798",NA,"PDBC34326","732917","Present"
-"Diethyl 1-propynyl phosphate","","","","","","","","","","","","","","","","","","","","Diethyl 1-propynyl phosphate","","CCOP(=O)(OCC)OC#CC","FEOYLGMPNDAVQV-UHFFFAOYSA-N","371540",NA,"PDBC34327","645868","Present"
-"Diethyl 2,2-bis(2,3-dihydro-1H-inden-5-ylmethyl)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2,2-bis(2,3-dihydro-1H-inden-5-ylmethyl)malonate","","CCOC(=O)C(CC1=CC2=C(CCC2)C=C1)(CC3=CC4=C(CCC4)C=C3)C(=O)OCC","LNDPOFBAESHPRZ-UHFFFAOYSA-N","382778",NA,"PDBC34328","670456","Present"
-"Diethyl 2,2-bis(2-(methylthio)ethyl)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2,2-bis(2-(methylthio)ethyl)malonate","","CCOC(=O)C(CCSC)(CCSC)C(=O)OCC","WBYILSBIIYPUTF-UHFFFAOYSA-N","382344",NA,"PDBC34329","669813","Present"
-"Diethyl 2,2-bis(methylsulfonyloxymethyl)propanedioate","","","","","","","","","","","","","","","","","","","","ACM440125031","","CCOC(=O)C(COS(=O)(=O)C)(COS(=O)(=O)C)C(=O)OCC","IPNRYBPVZHCTJL-UHFFFAOYSA-N","373712",NA,"PDBC34330","650613","Present"
-"Diethyl 2,2-bis[2-(9-benzylpurin-6-yl)ethyl]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl bis[2-(9-benzyl-9h-purin-6-yl)ethyl]propanedioate","","CCOC(=O)C(CCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)(CCC4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6)C(=O)OCC","WWVMVPXVKOWTOB-UHFFFAOYSA-N","400554",NA,"PDBC34331","712675","Present"
-"Diethyl 2,5-dimethoxybenzylidene-malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2,5-dimethoxybenzylidene-malonate","","CCOC(=O)C(=CC1=C(C=CC(=C1)OC)OC)C(=O)OCC","SDKURJSMAYMSOF-UHFFFAOYSA-N","81758",NA,"PDBC34332","643026","Present"
-"Diethyl 2,5-diphenyl-3,4-furandicarboxylate","","","","","","","","","","","","","","","","","","","","WFKFIXFIBUDTCF-UHFFFAOYSA-N","","CCOC(=O)C1=C(OC(=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3","WFKFIXFIBUDTCF-UHFFFAOYSA-N","363404",NA,"PDBC34333","628308","Present"
-"Diethyl 2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-6,12-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-6,12-dicarboxylate","","CCOC(=O)C1=CC=C2N1C(=O)C3=CC=C(N3C2=O)C(=O)OCC","JRLKANWIFXXGCT-UHFFFAOYSA-N","393301",NA,"PDBC34334","694966","Present"
-"Diethyl 2-((((2,6-diethylanilino)carbothioyl)amino)methylene)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((((2,6-diethylanilino)carbothioyl)amino)methylene)malonate","","CCC1=C(C(=CC=C1)CC)NC(=S)NC=C(C(=O)OCC)C(=O)OCC","ATAZLRNUSIIPSO-UHFFFAOYSA-N","3004563",NA,"PDBC34335","658346","Present"
-"Diethyl 2-((((2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl)amino)carbonyl)amino)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((((2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl)amino)carbonyl)amino)malonate","","CCOC(=O)C(C(=O)OCC)NC(=O)NC(C(=O)OCC)C(=O)OCC","JQQZRMIATFDHKP-UHFFFAOYSA-N","381461",NA,"PDBC34336","668048","Present"
-"Diethyl 2-(((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)methylene)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)methylene)malonate","","CCOC(=O)C(=CNC(CC1=CNC2=CC=CC=C21)C(=O)OC)C(=O)OCC","SJWOGAJOJUFWFM-UHFFFAOYSA-N","361132",NA,"PDBC34337","623958","Present"
-"Diethyl 2-(((4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(((4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)amino)pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)N1CCN(CC1)C2=C(N=C(NC2=O)C)C","UCTNMOCCFFBWEJ-UHFFFAOYSA-N","135489785",NA,"PDBC34338","673106","Present"
-"Diethyl 2-((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","YCHJBXHLWNTRGE-UHFFFAOYSA-N","382254",NA,"PDBC34339","669709","Present"
-"Diethyl 2-((2-(((benzyloxy)carbonyl)amino)-5-ethoxy-5-oxopentanoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((2-(((benzyloxy)carbonyl)amino)-5-ethoxy-5-oxopentanoyl)amino)pentanedioate","","CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)OCC1=CC=CC=C1","LALHHNVMESHQTI-UHFFFAOYSA-N","382252",NA,"PDBC34340","669707","Present"
-"Diethyl 2-((2-((2-((tert-butoxycarbonyl)amino)-3-(4-(hydroxy(oxido)amino)phenyl)propanoyl)amino)-5-ethoxy-5-oxopentanoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[5-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C","XYQVBELJIOSBRO-UHFFFAOYSA-N","381613",NA,"PDBC34341","668426","Present"
-"Diethyl 2-((2-methyl-3-pyridinyl)methylene)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((2-methyl-3-pyridinyl)methylene)malonate","","CCOC(=O)C(=CC1=C(N=CC=C1)C)C(=O)OCC","QOBCAAXPMYXQJL-UHFFFAOYSA-N","371014",NA,"PDBC34342","644876","Present"
-"Diethyl 2-((2-thioxo-1-imidazolidinyl)methylene)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((2-thioxo-1-imidazolidinyl)methylene)malonate","","CCOC(=O)C(=CN1CCNC1=S)C(=O)OCC","ZJLNZPFAENSGCS-UHFFFAOYSA-N","3004572",NA,"PDBC34343","658482","Present"
-"Diethyl 2-((4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)methylene)-3-oxosuccinate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)methylene)-3-oxosuccinate","","CCOC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)C(=O)OCC","PMMMDWHZOQYWLX-SREVYHEPSA-N","3004567",NA,"PDBC34344","658352","Present"
-"Diethyl 2-((4-(((3-chloro-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((4-(((3-chloro-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)amino)pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","KZWNLSQQEKHGIO-UHFFFAOYSA-N","373186",NA,"PDBC34345","649150","Present"
-"Diethyl 2-((4-(((3-phenyl-2-quinoxalinyl)methylene)amino)benzoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((4-(((3-phenyl-2-quinoxalinyl)methylene)amino)benzoyl)amino)pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N=CC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4","ATWWJNVJSZJZOT-UHFFFAOYSA-N","371582",NA,"PDBC34346","645932","Present"
-"Diethyl 2-((4-(((3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzyl)amino)succinate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((4-(((3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzyl)amino)succinate","","CCOC(=O)CC(C(=O)OCC)NCC1=CC=C(C=C1)N=CC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","PWOHERWIVGQWPT-UHFFFAOYSA-N","374160",NA,"PDBC34347","651629","Present"
-"Diethyl 2-((4-(((3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methylideneamino]benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N=CC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","ZLLPWAXAXGKTGC-UHFFFAOYSA-N","371165",NA,"PDBC34348","645166","Present"
-"Diethyl 2-((4-((2,3-dimethoxy-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((4-((2,3-dimethoxy-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","DIVIVNXAJXZRSB-UHFFFAOYSA-N","380872",NA,"PDBC34349","666615","Present"
-"Diethyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","OENAGNLKSKDYCC-UHFFFAOYSA-N","389674",NA,"PDBC34350","686051","Present"
-"Diethyl 2-((4-((3-chloro-2-phenyl-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((4-((3-chloro-2-phenyl-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","WCBYIOYCMJWSHC-UHFFFAOYSA-N","392811",NA,"PDBC34351","693767","Present"
-"Diethyl 2-((4-(3-chloro-4-fluoro(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)anilino)anilino)methylene)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-(3-chloro-4-fluoro-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)anilino)anilino]methylidene]propanedioate","","CCOC(=O)C(=CNC1=CC=C(C=C1)N(C2=CC(=C(C=C2)F)Cl)C3=NCC(S3)C)C(=O)OCC","XZGUYQJTBGMSGR-UHFFFAOYSA-N","389168",NA,"PDBC34352","684852","Present"
-"Diethyl 2-((4-(4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl)benzoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((4-(4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl)benzoyl)amino)pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(N=C(N=C3N)N)C","WVSLQHBCGPJMOC-UHFFFAOYSA-N","391856",NA,"PDBC34353","691519","Present"
-"Diethyl 2-(1,4,4a,5,7,11b-hexahydrobenzo[d][2]benzoxepin-4-yl)propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(1,4,4a,5,7,11b-hexahydrobenzo[d][2]benzoxepin-4-yl)propanedioate","","CCOC(=O)C(C1C=CCC2C1COCC3=CC=CC=C23)C(=O)OCC","HLVBAEFCAASWFV-UHFFFAOYSA-N","6712804",NA,"PDBC34354","713787","Present"
-"Diethyl 2-(2,4-dioxopyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-[(2-hydroxyethyl)sulfanyl]butanedioate","","CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=CC(=O)NC1=O","XQNVZIILBXADRV-UHFFFAOYSA-N","386559",NA,"PDBC34355","678996","Present"
-"Diethyl 2-(2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)ethyl)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)ethyl)malonate","","CCOC(=O)C(CCN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C)C(=O)OCC","WRXQBADSHWKVSI-UHFFFAOYSA-N","380316",NA,"PDBC34356","665795","Present"
-"Diethyl 2-(2-acetamido-6-oxo-1H-purin-9-yl)-3-(2-hydroxyethylsulfanyl)butanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[2-(acetylamino)-6-oxo-3,6-dihydro-9h-purin-9-yl]-3-[(2-hydroxyethyl)sulfanyl]butanedioate","","CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=NC2=C1N=C(NC2=O)NC(=O)C","ZPNQTZLUEDWJBS-UHFFFAOYSA-N","135489808",NA,"PDBC34357","679000","Present"
-"Diethyl 2-(2-benzoylbenzoyl)propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl(2-benzoylbenzoyl)propanedioate","","CCOC(=O)C(C(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2)C(=O)OCC","BWLHSZBJTHEGJQ-UHFFFAOYSA-N","282445",NA,"PDBC34358","135923","Present"
-"Diethyl 2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)butanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)butanedioate","","CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=C(C(=O)NC1=O)C","RIIWRFCCEWJCCI-UHFFFAOYSA-N","386560",NA,"PDBC34359","678997","Present"
-"Diethyl 2-(2-methoxy-1-methyl-2-oxoethylidene)-3,6-dihydro-2H-1,3-thiazine-5,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(2-methoxy-1-methyl-2-oxoethylidene)-3,6-dihydro-2H-1,3-thiazine-5,6-dicarboxylate","","CCOC(=O)C1C(=CNC(=C(C)C(=O)OC)S1)C(=O)OCC","CDSGPNSMBUWSBF-DHZHZOJOSA-N","3005309",NA,"PDBC34360","689732","Present"
-"Diethyl 2-(2-nitrobenzylidene)malonate","","","","","","","","","","","","","","","","","","","","NSC27702","","CCOC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OCC","BLHLIGAACQEKRY-UHFFFAOYSA-N","231460",NA,"PDBC34361","27702","Present"
-"Diethyl 2-(3,3-diphenyl-1,2-propadienylidene)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(3,3-diphenyl-1,2-propadienylidene)malonate","","CCOC(=O)C(=C=C=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OCC","CJSCJCJBHFJLHN-UHFFFAOYSA-N","362475",NA,"PDBC34362","626426","Present"
-"Diethyl 2-(3,4-dimethoxyphenyl)-1-((diphenylmethylene)amino)ethylphosphonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(3,4-dimethoxyphenyl)-1-((diphenylmethylene)amino)ethylphosphonate","","CCOP(=O)(C(CC1=CC(=C(C=C1)OC)OC)N=C(C2=CC=CC=C2)C3=CC=CC=C3)OCC","BNLONRUWFBDFIE-UHFFFAOYSA-N","382131",NA,"PDBC34363","669577","Present"
-"Diethyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-hydroxymalonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-hydroxymalonate","","CCOC(=O)C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(=O)OCC)O","YVGAGNKRDJQRDI-UHFFFAOYSA-N","386886",NA,"PDBC34364","679744","Present"
-"Diethyl 2-(3-(1-hydroxy-2-naphthyl)-3-oxopropyl)-3-oxosuccinate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(3-(1-hydroxy-2-naphthyl)-3-oxopropyl)-3-oxosuccinate","","CCOC(=O)C(CCC(=O)C1=C(C2=CC=CC=C2C=C1)O)C(=O)C(=O)OCC","RKHDSCFUZNLTJV-UHFFFAOYSA-N","373347",NA,"PDBC34365","649563","Present"
-"Diethyl 2-(3-chlorobenzylidene)malonate","","","","","","","","","","","","","","","","","","","","ASZSQVRNXYEROB-UHFFFAOYSA-N","","CCOC(=O)C(=CC1=CC(=CC=C1)Cl)C(=O)OCC","ASZSQVRNXYEROB-UHFFFAOYSA-N","367434",NA,"PDBC34366","637155","Present"
-"Diethyl 2-(3-oxobutyl)-2-prop-2-enylpropanedioate","","","","","","","","","","","","","","","","","","","","TYOZBBKPLIZOAL-UHFFFAOYSA-N","","CCOC(=O)C(CCC(=O)C)(CC=C)C(=O)OCC","TYOZBBKPLIZOAL-UHFFFAOYSA-N","389880",NA,"PDBC34367","686508","Present"
-"Diethyl 2-(3-phenyl-1H-inden-1-ylidene)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(3-phenyl-1H-inden-1-ylidene)malonate","","CCOC(=O)C(=C1C=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)OCC","LGKIQRFAWFVVKY-UHFFFAOYSA-N","362476",NA,"PDBC34368","626427","Present"
-"Diethyl 2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malonate","","CCOC(=O)C(=C1N(C(=NC2=CC=CC=C2)C(=NC3=CC=CC=C3)S1)C4=CC=CC=C4)C(=O)OCC","DSIXTMBNWMGAHV-UHFFFAOYSA-N","383252",NA,"PDBC34369","671366","Present"
-"Diethyl 2-(4-(3-ethoxy-2-(ethoxycarbonyl)-3-oxopropyl)-2,5-dimethoxybenzyl)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(4-(3-ethoxy-2-(ethoxycarbonyl)-3-oxopropyl)-2,5-dimethoxybenzyl)malonate","","CCOC(=O)C(CC1=CC(=C(C=C1OC)CC(C(=O)OCC)C(=O)OCC)OC)C(=O)OCC","WDWSEYBZJVGBMV-UHFFFAOYSA-N","361841",NA,"PDBC34370","625157","Present"
-"Diethyl 2-(4-(allyloxy)-3-methoxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(4-(allyloxy)-3-methoxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate","","CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OCC=C)OC","CRRWQWUFWSNPQG-UHFFFAOYSA-N","386762",NA,"PDBC34371","679441","Present"
-"Diethyl 2-(4-(dimethylamino)phenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(4-(dimethylamino)phenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate","","CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C(=O)OCC)C3=CC=C(C=C3)N(C)C","VFUJCGSMUUQBOA-UHFFFAOYSA-N","386767",NA,"PDBC34372","679446","Present"
-"Diethyl 2-(4-Methoxybenzyl)malonate","","","","","","","","","","","","","","","","","","","","6597AJ","","CCOC(=O)C(CC1=CC=C(C=C1)OC)C(=O)OCC","VOUQVWQRJJVRFU-UHFFFAOYSA-N","232045",NA,"PDBC34373","29070","Present"
-"Diethyl 2-(4-amino-2-oxopyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-[(2-hydroxyethyl)sulfanyl]butanedioate","","CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=CC(=NC1=O)N","XZWBNFSXIWTASY-UHFFFAOYSA-N","386562",NA,"PDBC34374","678999","Present"
-"Diethyl 2-(4-cyanobenzylidene)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(4-cyanobenzylidene)malonate","","CCOC(=O)C(=CC1=CC=C(C=C1)C#N)C(=O)OCC","OORCRIPKMJSZNC-UHFFFAOYSA-N","367442",NA,"PDBC34375","637164","Present"
-"Diethyl 2-(6-aminopurin-9-yl)-3-(2-hydroxyethylsulfanyl)butanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(6-amino-9h-purin-9-yl)-3-[(2-hydroxyethyl)sulfanyl]butanedioate","","CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=NC2=C(N=CN=C21)N","VWIROSQJACUKSW-UHFFFAOYSA-N","386561",NA,"PDBC34376","678998","Present"
-"Diethyl 2-([1,1'-biphenyl]-4-ylmethylene)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-([1,1'-biphenyl]-4-ylmethylene)malonate","","CCOC(=O)C(=CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCC","SIQFBETXJAVNCI-UHFFFAOYSA-N","367428",NA,"PDBC34377","637148","Present"
-"Diethyl 2-(acetylamino)-2-(9-anthrylmethyl)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(acetylamino)-2-(9-anthrylmethyl)malonate","","CCOC(=O)C(CC1=C2C=CC=CC2=CC3=CC=CC=C31)(C(=O)OCC)NC(=O)C","YNHFVRRXXNLNJF-UHFFFAOYSA-N","380794",NA,"PDBC34378","666514","Present"
-"Diethyl 2-(chloromethyl)bicyclo[2.2.1]heptane-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(chloromethyl)bicyclo[2.2.1]heptane-2,3-dicarboxylate","","CCOC(=O)C1C2CCC(C2)C1(CCl)C(=O)OCC","QYQOVUFURCXWEJ-UHFFFAOYSA-N","372437",NA,"PDBC34379","647551","Present"
-"Diethyl 2-(methylsulfonyl)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-(methylsulfonyl)malonate","","CCOC(=O)C(C(=O)OCC)S(=O)(=O)C","JMCQBFCJYBBIQL-UHFFFAOYSA-N","373263",NA,"PDBC34380","649415","Present"
-"Diethyl 2-({4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]anilino}methylene)malonate","","","","","","","","","","","","","","","","","","","","1,3-Propanedioic acid, 2-[[4-[[(4,5-dihydro-5-methyl-2-t...","","CCOC(=O)C(=CNC1=CC=C(C=C1)NC2=NCC(S2)C)C(=O)OCC","IBDZMXGKNQLYAW-UHFFFAOYSA-N","389166",NA,"PDBC34381","684850","Present"
-"Diethyl 2-[(2-bromophenyl)methylidene]propanedioate","","","","","","","","","","","","","","","","","","","","ZZDNKHNYMZVZGJ-UHFFFAOYSA-N","","CCOC(=O)C(=CC1=CC=CC=C1Br)C(=O)OCC","ZZDNKHNYMZVZGJ-UHFFFAOYSA-N","246693",NA,"PDBC34382","60064","Present"
-"Diethyl 2-[(2-phenyl-1H-indol-3-yl)methylidene]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[(2-phenyl-1H-indol-3-yl)methylidene]propanedioate","","CCOC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C(=O)OCC","AXSHIOSWRCGLLB-UHFFFAOYSA-N","13266383",NA,"PDBC34383","749024","Present"
-"Diethyl 2-[(3,4-difluoroanilino)methylidene]propanedioate","","","","","","","","","","","","","","","","","","","","STK700800","","CCOC(=O)C(=CNC1=CC(=C(C=C1)F)F)C(=O)OCC","DJHBWAZSUKREIR-UHFFFAOYSA-N","389167",NA,"PDBC34384","684851","Present"
-"Diethyl 2-[(3-aminopyridin-2-yl)-methylhydrazinylidene]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl[(3-aminopyridin-2-yl)(methyl)hydrazono]propanedioate","","CCOC(=O)C(=NN(C)C1=C(C=CC=N1)N)C(=O)OCC","OBWRTBIJSHQIPJ-UHFFFAOYSA-N","403845",NA,"PDBC34385","719379","Present"
-"Diethyl 2-[(4-sulfamoylanilino)methylene]propanedioate","","","","","","","","","","","","","","","","","","","","STL326174","","CCOC(=O)C(=CNC1=CC=C(C=C1)S(=O)(=O)N)C(=O)OCC","LPDIOFUETVAFIF-UHFFFAOYSA-N","389164",NA,"PDBC34386","684848","Present"
-"Diethyl 2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanedioate","","CCOC(=O)C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)OCC","JKSMSWNEXVFQFQ-UHFFFAOYSA-N","3004560",NA,"PDBC34387","658341","Present"
-"Diethyl 2-[(E)-2-oxo-4-phenylbut-3-enyl]-2H-benzimidazole-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[(E)-2-oxo-4-phenylbut-3-enyl]-2H-benzimidazole-1,3-dicarboxylate","","CCOC(=O)N1C(N(C2=CC=CC=C21)C(=O)OCC)CC(=O)C=CC3=CC=CC=C3","MWUKCMQQEKWNBS-CCEZHUSRSA-N","5471323",NA,"PDBC34388","710445","Present"
-"Diethyl 2-[4-(5-[(11aS)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypentyl)piperazino]ethylphosphonate","","","","","","","","","","","","","","","","","","","","diethyl 2-[4-(5-[(11aS)-7-methoxy-5-oxo-2,3,5,11a-tetrah...","","CCOP(=O)(CCN1CCN(CC1)CCCCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)OCC","COOVHJHQCPOPQQ-QHCPKHFHSA-N","25113728",NA,"PDBC34389","744025","Present"
-"Diethyl 2-[5-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[5-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)N1C2=C(C=C(C=C2)NC3=C([N+](=C4C=C(C=CC4=[N+]3[O-])Cl)[O-])C)N=N1","PZTKLWDUJNVYHB-UHFFFAOYSA-N","135426800",NA,"PDBC34390","718666","Present"
-"Diethyl 2-[5-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[5-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)N1N=C2C=CC(=CC2=N1)NC3=C([N+](=C4C=C(C=CC4=[N+]3[O-])Cl)[O-])C","ZAWSLTUZJJAGOM-UHFFFAOYSA-N","135426797",NA,"PDBC34391","718663","Present"
-"Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)N1C2=C(C=C(C=C2)NC3=C([N+](=C4C=CC(=CC4=[N+]3[O-])Cl)[O-])C)N=N1","JNWRCFBPRVBLCL-UHFFFAOYSA-N","135426799",NA,"PDBC34392","718665","Present"
-"Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)N1N=C2C=CC(=CC2=N1)NC3=C([N+](=C4C=CC(=CC4=[N+]3[O-])Cl)[O-])C","CGIDNMPQGASTPI-UHFFFAOYSA-N","135426796",NA,"PDBC34393","718662","Present"
-"Diethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=C(C=C3)N(N=N4)C(CCC(=O)OCC)C(=O)OCC)[O-])F","ZOTVCSHLJIYWAH-UHFFFAOYSA-N","135426798",NA,"PDBC34394","718664","Present"
-"Diethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate","","CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=NN(N=C4C=C3)C(CCC(=O)OCC)C(=O)OCC)[O-])F","ZQCRJNWLJHDCGW-UHFFFAOYSA-N","135426795",NA,"PDBC34395","718661","Present"
-"Diethyl 2-[6-(1-benzofuran-2-yl)-3-cyano-2-oxopyran-4-yl]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl[6-(1-benzofuran-2-yl)-3-cyano-2-oxo-2h-pyran-4-yl]propanedioate","","CCOC(=O)C(C1=C(C(=O)OC(=C1)C2=CC3=CC=CC=C3O2)C#N)C(=O)OCC","RJFPHBQUZFEDTA-UHFFFAOYSA-N","360618",NA,"PDBC34396","622923","Present"
-"Diethyl 2-[6-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[6-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)N1C2=C(C=CC(=C2)NC3=C([N+](=C4C=C(C=CC4=[N+]3[O-])Cl)[O-])C)N=N1","DDMPVAOCUKWLEW-UHFFFAOYSA-N","135426803",NA,"PDBC34397","718669","Present"
-"Diethyl 2-[6-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[6-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)N1C2=C(C=CC(=C2)NC3=C([N+](=C4C=CC(=CC4=[N+]3[O-])Cl)[O-])C)N=N1","ADEZHPXFYZPINY-UHFFFAOYSA-N","135426802",NA,"PDBC34398","718668","Present"
-"Diethyl 2-[6-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[6-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate","","CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=C(C=C3)N=NN4C(CCC(=O)OCC)C(=O)OCC)[O-])F","OLRQMSUIGKEBLA-UHFFFAOYSA-N","135426801",NA,"PDBC34399","718667","Present"
-"Diethyl 2-[[2-[4-(3-phenylquinoxalin-2-yl)oxyphenyl]acetyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[2-[4-(3-phenylquinoxalin-2-yl)oxyphenyl]acetyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4","VYAGHMQLWXEYKW-UHFFFAOYSA-N","401480",NA,"PDBC34400","715138","Present"
-"Diethyl 2-[[2-[4-[(3-ethoxycarbonyl-6,7-difluoroquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[2-[4-[(3-ethoxycarbonyl-6,7-difluoroquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC(=C(C=C3N=C2C(=O)OCC)F)F","HZVWTCFSODAMPZ-UHFFFAOYSA-N","401476",NA,"PDBC34401","715134","Present"
-"Diethyl 2-[[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4","WZCBNBWAOVPNEJ-UHFFFAOYSA-N","401477",NA,"PDBC34402","715135","Present"
-"Diethyl 2-[[2-[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[2-[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","YSPJXUORNLPTKF-UHFFFAOYSA-N","401478",NA,"PDBC34403","715136","Present"
-"Diethyl 2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[5-ethoxy-2-[[2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCC2=CC=CC=C2","VMFZJKSAXFCSEI-UHFFFAOYSA-N","381712",NA,"PDBC34404","668570","Present"
-"Diethyl 2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1","HYKOAGWRCGFLKJ-UHFFFAOYSA-N","381716",NA,"PDBC34405","668577","Present"
-"Diethyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-4-methoxy-4-oxo-butanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-4-methoxy-4-oxo-butanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]butanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[5-ethoxy-2-[[2-[[5-ethoxy-2-[[2-[[5-ethoxy-2-[[4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-4-methoxy-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-me","","CCOC(=O)CCC(C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OCC)C(=O)OCC)NC(=O)C(CC(=O)OC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1","WWQPEQRYLXARLJ-UHFFFAOYSA-N","381619",NA,"PDBC34406","668439","Present"
-"Diethyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]am","","CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1","RANVKENWSXWBIN-UHFFFAOYSA-N","381626",NA,"PDBC34407","668449","Present"
-"Diethyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]acetyl]amino]acetyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[5-ethoxy-2-[[5-ethoxy-2-[[2-[[2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]ami","","CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)CNC(=O)CNC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1","VYHVVBNACKSYOF-UHFFFAOYSA-N","381627",NA,"PDBC34408","668450","Present"
-"Diethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O","OSZHPZVUJYWBQM-UHFFFAOYSA-N","388713",NA,"PDBC34409","683774","Present"
-"Diethyl 2-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]carbamothioyl]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]carbamothioyl]propanedioate","","CCOC(=O)C(C(=S)NC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OCC","ZVANUDGBLUFORH-UHFFFAOYSA-N","3005394",NA,"PDBC34410","695619","Present"
-"Diethyl 2-[[3-(1H-indol-3-yl)-1H-indol-2-yl]methylidene]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[3-(1h-indol-3-yl)-1h-indol-2-yl]methylene]propanedioate","","CCOC(=O)C(=CC1=C(C2=CC=CC=C2N1)C3=CNC4=CC=CC=C43)C(=O)OCC","YBYIJWFWHGSKBC-UHFFFAOYSA-N","399830",NA,"PDBC34411","710966","Present"
-"Diethyl 2-[[4-(3-ethoxycarbonylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-(3-ethoxycarbonylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C(=O)OCC","GHETXXNRGQDXEQ-UHFFFAOYSA-N","392812",NA,"PDBC34412","693768","Present"
-"Diethyl 2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4","AJNJXJUIOUWSOF-UHFFFAOYSA-N","390812",NA,"PDBC34413","688814","Present"
-"Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4","FJVGFBADZAJQEG-UHFFFAOYSA-N","400213",NA,"PDBC34414","711731","Present"
-"Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N4C2=CC=C4","RHNOBPWFHZWHCU-UHFFFAOYSA-N","399539",NA,"PDBC34415","710403","Present"
-"Diethyl 2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C2=CC=CC=C21)NCC3=CC4=C(C=C3)N=C(C(=N4)OC)OC","SGNFDTJHZRJZKN-UHFFFAOYSA-N","399542",NA,"PDBC34416","710406","Present"
-"Diethyl 2-[[4-[(3-chloro-2-phenylquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-[(3-chloro-2-phenylquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C2=CC=CC=C21)NCC3=CC4=C(C=C3)N=C(C(=N4)Cl)C5=CC=CC=C5","SZOKBHZEOQEOLD-UHFFFAOYSA-N","399541",NA,"PDBC34417","710405","Present"
-"Diethyl 2-[[4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Glutamic acid, N-[4-[[[2-(ethoxycarbonyl)-3-quinoxalinyl...","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)OCC","IQJJFBPDRPUVKR-UHFFFAOYSA-N","382848",NA,"PDBC34418","670678","Present"
-"Diethyl 2-[[4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","DLQOKBBSFUTDLQ-UHFFFAOYSA-N","390814",NA,"PDBC34419","688816","Present"
-"Diethyl 2-[[4-[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","XOIMQSNHAJPJCU-UHFFFAOYSA-N","393058",NA,"PDBC34420","694342","Present"
-"Diethyl 2-[[4-[[(3-ethoxycarbonylquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-[[(3-ethoxycarbonylquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(=O)OCC","GPMILDVFCMXSGX-UHFFFAOYSA-N","390808",NA,"PDBC34421","688810","Present"
-"Diethyl 2-[[4-[[3-ethoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl[(4-{[3-(ethoxycarbonyl)-6-(trifluoromethyl)quinoxalin-2-yl]amino}benzoyl)amino]propanedioate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)NC(C(=O)OCC)C(=O)OCC","FWBOOFNNDMVBCA-UHFFFAOYSA-N","386960",NA,"PDBC34422","680187","Present"
-"Diethyl 2-[[4-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-((4-((3-(ethoxycarbonyl)-7-(trifluoromethyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)OCC","NJFOSEYKVHPKKA-UHFFFAOYSA-N","383927",NA,"PDBC34423","672883","Present"
-"Diethyl 2-[[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","WNIVTIDYPIBFFV-UHFFFAOYSA-N","384949",NA,"PDBC34424","675773","Present"
-"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","OIFYNNTYCLNZMN-UHFFFAOYSA-N","389673",NA,"PDBC34425","686050","Present"
-"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","XSUPEQWLKDUWJK-UHFFFAOYSA-N","389676",NA,"PDBC34426","686053","Present"
-"Diethyl 2-[[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Glutamic acid, N-[4-[[6-(trifluoromethyl)-2-quinoxalinyl...","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","CRACCCVRFGULLO-UHFFFAOYSA-N","384948",NA,"PDBC34427","675772","Present"
-"Diethyl 2-[[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F","WCELHRBDOZDRAZ-UHFFFAOYSA-N","389671",NA,"PDBC34428","686048","Present"
-"Diethyl 2-[[4-[[methoxy-[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl]amino]benzoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","diethyl 2-[[4-[[methoxy-[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl]amino]benzoyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC(C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","DYUJFYMCZCVSIX-UHFFFAOYSA-N","371166",NA,"PDBC34429","645167","Present"
-"Diethyl 2-[[5-[(3-ethoxycarbonylquinoxalin-2-yl)amino]thiophene-2-carbonyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[5-[(3-ethoxycarbonylquinoxalin-2-yl)amino]thiophene-2-carbonyl]amino]pentanedioate","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(S1)NC2=NC3=CC=CC=C3N=C2C(=O)OCC","XASOIPFYVYGPIV-UHFFFAOYSA-N","393705",NA,"PDBC34430","696139","Present"
-"Diethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]butanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]butanedioate","","CCOC(=O)CC(C(=O)OCC)NC(=O)C1=C(N=CN1)N=NN(C)C","HQUKRJPQPMDVBB-VHEBQXMUSA-N","135499317",NA,"PDBC34431","651358","Present"
-"Diethyl 2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]ami","","CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCC2=CC=CC=C2","DCEMOJXDGHEDLM-UHFFFAOYSA-N","16129796",NA,"PDBC34432","668571","Present"
-"Diethyl 2-[[[(Z)-(2-oxoindolin-3-ylidene)amino]carbamothioylamino]methylene]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-[[[(Z)-(2-oxoindolin-3-ylidene)amino]carbamothioylamino]methylene]propanedioate","","CCOC(=O)C(=CNC(=S)N=NC1=C(NC2=CC=CC=C21)O)C(=O)OCC","SSLUKVMIVJNHKM-UHFFFAOYSA-N","3004559",NA,"PDBC34433","658339","Present"
-"Diethyl 2-acetamido-2-[(6-nitro-1H-indol-3-yl)methyl]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl(acetylamino)[(6-nitro-1h-indol-3-yl)methyl]propanedioate","","CCOC(=O)C(CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C","OIFCLUUZPMYLIF-UHFFFAOYSA-N","249442",NA,"PDBC34434","67774","Present"
-"Diethyl 2-acetamido-2-[[1-(benzenesulfonyl)indol-3-yl]methyl]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-acetamido-2-[[1-(benzenesulfonyl)indol-3-yl]methyl]propanedioate","","CCOC(=O)C(CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)(C(=O)OCC)NC(=O)C","QAFNRIQWNKRAKN-UHFFFAOYSA-N","374839",NA,"PDBC34435","653265","Present"
-"Diethyl 2-acetamido-2-[[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]methyl]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl(acetylamino)({5-[bis(2-chloroethyl)amino]-1h-indol-3-yl}methyl)propanedioate","","CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl)(C(=O)OCC)NC(=O)C","FKCGBVVBHXXBOD-UHFFFAOYSA-N","248139",NA,"PDBC34436","64703","Present"
-"Diethyl 2-acetamido-2-[[6-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl(acetylamino)({6-[bis(2-hydroxyethyl)amino]-1h-indol-3-yl}methyl)propanedioate","","CCOC(=O)C(CC1=CNC2=C1C=CC(=C2)N(CCO)CCO)(C(=O)OCC)NC(=O)C","FSVLSJQLRXIMDS-UHFFFAOYSA-N","270973",NA,"PDBC34437","114346","Present"
-"Diethyl 2-acetamido-2-[[7-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl(acetylamino)({7-[bis(2-hydroxyethyl)amino]-1h-indol-3-yl}methyl)propanedioate","","CCOC(=O)C(CC1=CNC2=C1C=CC=C2N(CCO)CCO)(C(=O)OCC)NC(=O)C","HSELHOSLVXGMDS-UHFFFAOYSA-N","253773",NA,"PDBC34438","77007","Present"
-"Diethyl 2-allyl-2-(2-oxoethyl)malonate","","","","","","","","","","","","","","","","","","","","Diethyl 2-allyl-2-(2-oxoethyl)malonate","","CCOC(=O)C(CC=C)(CC=O)C(=O)OCC","UEMZWSAUWIPEOF-UHFFFAOYSA-N","389876",NA,"PDBC34439","686504","Present"
-"Diethyl 2-amino-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-amino-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate","","CCOC(=O)C1=C(SC2=C1C(CC2)(C)C(=O)OCC)N","FGMKGQCGPZRWDW-UHFFFAOYSA-N","383362",NA,"PDBC34440","671476","Present"
-"Diethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3,4-dicarboxylate","","CCOC(=O)C1CCCCC2=C1C(=C(S2)N)C(=O)OCC","CASKERIJAHTMCZ-UHFFFAOYSA-N","383367",NA,"PDBC34441","671481","Present"
-"Diethyl 2-amino-6-[2-(2-pyridyl)vinyl]-1,3-azulenedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-amino-6-[2-(2-pyridyl)vinyl]-1,3-azulenedicarb...","","CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)C=CC3=CC=CC=N3","CSDWCMACKYCMES-DHZHZOJOSA-N","6277558",NA,"PDBC34442","647066","Present"
-"Diethyl 2-amino-6-methyl-4-oxo-4,5,6,9-tetrahydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-amino-6-methyl-4-oxo-4,5,6,9-tetrahydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate","","CCOC(=O)C1=CC(NC2=C(N1)N=C(NC2=O)N)(C)C(=O)OCC","VXNZPAGSGBYICC-UHFFFAOYSA-N","135409163",NA,"PDBC34443","662150","Present"
-"Diethyl 2-amino-6-styryl-1,3-azulenedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-amino-6-styryl-1,3-azulenedicarboxylate","","CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)C=CC3=CC=CC=C3","DMEOGIXCUSGPEG-ZHACJKMWSA-N","6277557",NA,"PDBC34444","647065","Present"
-"Diethyl 2-amino-6[2-(methoxycarbonyl)vinyl]-1,3-azulene-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-amino-6[2-(methoxycarbonyl)vinyl]-1,3-azulene-...","","CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)C=CC(=O)OC","DPWBJODWONDKNU-DHZHZOJOSA-N","6277559",NA,"PDBC34445","647067","Present"
-"Diethyl 2-benzamido-2-[(2-formyl-1H-indol-3-yl)methyl]propanedioate","","","","","","","","","","","","","","","","","","","","Diethyl 2-benzamido-2-[(2-formyl-1H-indol-3-yl)methyl]propanedioate","","CCOC(=O)C(CC1=C(NC2=CC=CC=C21)C=O)(C(=O)OCC)NC(=O)C3=CC=CC=C3","INPONGOTQJDKST-UHFFFAOYSA-N","363116",NA,"PDBC34446","627684","Present"
-"Diethyl 2-methoxy-3,6-dimethyl-4-oxo-4,5,6,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-methoxy-3,6-dimethyl-4-oxo-5,9-dihydropyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate","","CCOC(=O)C1=CC(NC2=C(N1)N=C(N(C2=O)C)OC)(C)C(=O)OCC","JPPFYLGPGPSPKH-UHFFFAOYSA-N","378829",NA,"PDBC34447","662147","Present"
-"Diethyl 2-methylenemalonate","","","","","","","","","","","","","","","","","","","","AI3-10018","","CCOC(=O)C(=C)C(=O)OCC","BQHDXNZNSPVVKB-UHFFFAOYSA-N","95118",NA,"PDBC34448","18901","Present"
-"Diethyl 2-oxo-1,2,5,6,7,8-hexahydro-4H-3,1-benzoxazine-4,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-oxo-1,2,5,6,7,8-hexahydro-4H-3,1-benzoxazine-4,4-dicarboxylate","","CCOC(=O)C1(C2=C(CCCC2)NC(=O)O1)C(=O)OCC","RQLNDSQIVGREPZ-UHFFFAOYSA-N","371791",NA,"PDBC34449","646235","Present"
-"Diethyl 2-oxo-2,3,6,11-tetrahydro-1H-indolizino[8,7-b]indole-1,11b(5H)-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-oxo-2,3,6,11-tetrahydro-1H-indolizino[8,7-b]indole-1,11b(5H)-dicarboxylate","","CCOC(=O)C1C(=O)CN2C1(C3=C(CC2)C4=CC=CC=C4N3)C(=O)OCC","FGPODTSCBRPJFL-UHFFFAOYSA-N","372192",NA,"PDBC34450","647142","Present"
-"Diethyl 2-oxotetrahydro-2H-pyran-3-ylphosphonate","","","","","","","","","","","","","","","","","","","","3-Diethoxyphosphoryltetrahydropyran-2-one","","CCOP(=O)(C1CCCOC1=O)OCC","WYXBTGCFOPOZLW-UHFFFAOYSA-N","364162",NA,"PDBC34451","629862","Present"
-"Diethyl 2-phosphono-3-(2-N-methylpyrrole)acrylonitrile","","","","","","","","","","","","","","","","","","","","Diethyl 2-phosphono-3-(2-N-methylpyrrole)acrylonitrile","","CCOP(=O)(C(=CC1=CC=CN1C)C#N)OCC","QNXRWHHBECUPNM-FMIVXFBMSA-N","5467939",NA,"PDBC34452","660161","Present"
-"Diethyl 2-phosphono-3-(2-methyl-3-indole)acrylonitrile","","","","","","","","","","","","","","","","","","","","Diethyl 2-phosphono-3-(2-methyl-3-indole)acrylonitrile","","CCOP(=O)(C(=CC1=C(NC2=CC=CC=C21)C)C#N)OCC","WHRMWWOAGROONP-JLHYYAGUSA-N","5467931",NA,"PDBC34453","660153","Present"
-"Diethyl 2-phosphono-3-(2-pyridyl)acrylonitrile","","","","","","","","","","","","","","","","","","","","Diethyl 2-phosphono-3-(2-pyridyl)acrylonitrile","","CCOP(=O)(C(=CC1=CC=CC=N1)C#N)OCC","HFKJWXYDLWPLSJ-FMIVXFBMSA-N","5467934",NA,"PDBC34454","660156","Present"
-"Diethyl 2-phosphono-3-(3-indole)acrylonitrile","","","","","","","","","","","","","","","","","","","","Diethyl 2-phosphono-3-(3-indole)acrylonitrile","","CCOP(=O)(C(=CC1=CNC2=CC=CC=C21)C#N)OCC","CXCPYMVLTOHULS-UKTHLTGXSA-N","5467929",NA,"PDBC34455","660151","Present"
-"Diethyl 2-phosphono-3-(4-quinoline)acrylonitrile","","","","","","","","","","","","","","","","","","","","Diethyl 2-phosphono-3-(4-quinoline)acrylonitrile","","CCOP(=O)(C(=CC1=CC=NC2=CC=CC=C12)C#N)OCC","YFMPUXFPBBGIPR-SDNWHVSQSA-N","5467938",NA,"PDBC34456","660160","Present"
-"Diethyl 2-tert-butyl-3-methyl-1H-indene-1,1-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 2-tert-butyl-3-methyl-1H-indene-1,1-dicarboxylate","","CCOC(=O)C1(C2=CC=CC=C2C(=C1C(C)(C)C)C)C(=O)OCC","XXOYHVQGWXKWBW-UHFFFAOYSA-N","372865",NA,"PDBC34457","648555","Present"
-"Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)","","","","","","","","","","","","","","","","","","","","Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)","","CCOC(=O)C#CC1=CC(=CC=C1)C#CC(=O)OCC","RZFLPKWJWSIJBL-UHFFFAOYSA-N","323109",NA,"PDBC34458","281929","Present"
-"Diethyl 3,3-thietanedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3,3-thietanedicarboxylate","","CCOC(=O)C1(CSC1)C(=O)OCC","WDWZOPYWJZDZTR-UHFFFAOYSA-N","373714",NA,"PDBC34459","650615","Present"
-"Diethyl 3,5-bis(4-methylbenzoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3,5-bis(4-methylbenzoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,6-dicarboxylate","","CCOC(=O)C1=C(C(C(=C(N1)C(=O)OCC)C(=O)C2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C","QFVIGIFTYGBDJM-UHFFFAOYSA-N","341281",NA,"PDBC34460","373045","Present"
-"Diethyl 3,6-dihydroxypentacyclo[6.5.0.04,12.05,10.09,13]trideca-2,6-diene-2,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3,6-dihydroxypentacyclo[6.5.0.04,12.05,10.09,13]trideca-2,6-diene-2,7-dicarboxylate","","CCOC(=O)C1=C(C2C3CC4C2C(=C(C5C4C3C51)C(=O)OCC)O)O","GDMNLDOPKZZEJL-UHFFFAOYSA-N","54680443",NA,"PDBC34461","677228","Present"
-"Diethyl 3,6-dimethyl-2-(methylthio)-4-oxo-4,5,6,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3,6-dimethyl-2-(methylthio)-4-oxo-4,5,6,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate","","CCOC(=O)C1=CC(NC2=C(N1)N=C(N(C2=O)C)SC)(C)C(=O)OCC","NIRMQALSODEPFC-UHFFFAOYSA-N","378831",NA,"PDBC34462","662149","Present"
-"Diethyl 3,6-dimethyl-3,6-dihydrodipyrrolo[2,3-c:3,2-e]pyridazine-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 5,10-dimethyl-5,7,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,11-tetraene-7,8-dicarboxylate","","CCOC(=O)N1C2=C(C=CN2C)C3=C(N1C(=O)OCC)N(C=C3)C","FFEZMACMDOBFMU-UHFFFAOYSA-N","370817",NA,"PDBC34463","644340","Present"
-"Diethyl 3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate","","CCOC(=O)N1C(C=CC(N1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3","DNDWOOYOJNPXEM-UHFFFAOYSA-N","359343",NA,"PDBC34464","620128","Present"
-"Diethyl 3-(1-phenylpyrrol-2-yl)-1H-pyrrole-2,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3-(1-phenylpyrrol-2-yl)-1H-pyrrole-2,4-dicarboxylate","","CCOC(=O)C1=CNC(=C1C2=CC=CN2C3=CC=CC=C3)C(=O)OCC","YXQLQAHEIBRCJC-UHFFFAOYSA-N","392648",NA,"PDBC34465","693227","Present"
-"Diethyl 3-(1-phenylpyrrol-2-yl)-2,3-dihydro-1H-pyrrole-2,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3-(1-phenylpyrrol-2-yl)-2,3-dihydro-1H-pyrrole-2,4-dicarboxylate","","CCOC(=O)C1C(C(=CN1)C(=O)OCC)C2=CC=CN2C3=CC=CC=C3","HCSNACQSVZNOHW-UHFFFAOYSA-N","390184",NA,"PDBC34466","687345","Present"
-"Diethyl 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-2,3-dihydro-1H-pyrrole-2,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-2,3-dihydro-1H-pyrrole-2,4-dicarboxylate","","CCOC(=O)C1C(C(=CN1)C(=O)OCC)C2=CC=CN2C3=C(C=C(C=C3)Cl)[N+](=O)[O-]","CRRGETQFRZIOJY-UHFFFAOYSA-N","390188",NA,"PDBC34467","687349","Present"
-"Diethyl 3-amino-2-cyano-2-pentenedioate","","","","","","","","","","","","","","","","","","","","diethyl (Z)-3-amino-2-cyano-pent-2-enedioate","","CCOC(=O)CC(=C(C#N)C(=O)OCC)N","AHUNWNFEFPPLRL-FPLPWBNLSA-N","2803966",NA,"PDBC34468","623888","Present"
-"Diethyl 3-hydroxy-4,6-dimethylthieno[3,2-a]indolizine-2,9-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3-hydroxy-4,6-dimethylthieno[3,2-a]indolizine-2,9-dicarboxylate","","CCOC(=O)C1=C2C(=C3N1C=C(C=C3C)C)C(=C(S2)C(=O)OCC)O","ZXIDCVYYDJJAOW-UHFFFAOYSA-N","360958",NA,"PDBC34469","623686","Present"
-"Diethyl 3-methyl-1,2-butadienylphosphonate","","","","","","","","","","","","","","","","","","","","Diethyl 3-methyl-1,2-butadienylphosphonate","","CCOP(=O)(C=C=C(C)C)OCC","FIKUSCSPTVGGQV-UHFFFAOYSA-N","380886",NA,"PDBC34470","666670","Present"
-"Diethyl 3-phenethyl-4-vinyl-pyrazolidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 3-phenethyl-4-vinyl-pyrazolidine-1,2-dicarboxylate","","CCOC(=O)N1CC(C(N1C(=O)OCC)CCC2=CC=CC=C2)C=C","SUXWFTZVOWZAJI-UHFFFAOYSA-N","394565",NA,"PDBC34471","698130","Present"
-"Diethyl 4,4-dimethyl-3a-phenyl-3a,4-dihydroisoxazolo[2,3-a]indole-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 4,4-dimethyl-3a-phenyl-3a,4-dihydroisoxazolo[2,3-a]indole-2,3-dicarboxylate","","CCOC(=O)C1=C(ON2C1(C(C3=CC=CC=C32)(C)C)C4=CC=CC=C4)C(=O)OCC","FZNFTULABUEKRW-UHFFFAOYSA-N","371280",NA,"PDBC34472","645344","Present"
-"Diethyl 4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-5,12-dicarboxylate","","","","","","","","","","","","","","","","","","","","4,8-Ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6...","","CCOC(=O)N1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)C(=O)OCC","FRUVSBRVTWCWTD-UHFFFAOYSA-N","339694",NA,"PDBC34473","367334","Present"
-"Diethyl 4-((2-amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)-3-hydroxybutylphosphonate","","","","","","","","","","","","","","","","","","","","1-[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]-4-diethoxyphosphorylbutan-2-ol","","CCOP(=O)(CCC(CNC1=C(C(=NC(=N1)N)Cl)N=NC2=CC=C(C=C2)Cl)O)OCC","BXUBMHUCWWGWKS-UHFFFAOYSA-N","385294",NA,"PDBC34474","676406","Present"
-"Diethyl 4-(dimethoxymethyl)-3-(2-methoxy-2-oxoethyl)-1,1-cyclohexanedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 4-(dimethoxymethyl)-3-(2-methoxy-2-oxoethyl)-1,1-cyclohexanedicarboxylate","","CCOC(=O)C1(CCC(C(C1)CC(=O)OC)C(OC)OC)C(=O)OCC","PIIDRUYPBNGJOR-UHFFFAOYSA-N","379283",NA,"PDBC34475","663789","Present"
-"Diethyl 4-(dimethylamino)phenylamidophosphate","","","","","","","","","","","","","","","","","","","","N4-Diethoxyphosphoryl-N1,N1-dimethyl-benzene-1,4-diamine","","CCOP(=O)(NC1=CC=C(C=C1)N(C)C)OCC","AYMSDZHYKPQGSH-UHFFFAOYSA-N","392807",NA,"PDBC34476","693726","Present"
-"Diethyl 4-amino-[1,2,4]triazino[4,3-a]indole-3,10-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 4-amino[1,2,4]triazino[4,3-a]indole-3,10-dicarboxylate","","CCOC(=O)C1=C2N=NC(=C(N2C3=CC=CC=C31)N)C(=O)OCC","GHDCMAVHPTXUBA-UHFFFAOYSA-N","403963",NA,"PDBC34477","719734","Present"
-"Diethyl 4-ethoxy-4-hydroxy-2-(4-methoxyphenyl)-6-oxo-1,3-cyclohexanedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 4-ethoxy-4-hydroxy-2-(4-methoxyphenyl)-6-oxo-1,3-cyclohexanedicarboxylate","","CCOC(=O)C1C(C(C(CC1=O)(O)OCC)C(=O)OCC)C2=CC=C(C=C2)OC","ZGVFGMZQHDEMGL-UHFFFAOYSA-N","386766",NA,"PDBC34478","679445","Present"
-"Diethyl 4-hydroxy-2-(4-methoxyphenyl)-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 4-hydroxy-2-(4-methoxyphenyl)-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate","","CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C(=O)OCC)C3=CC=C(C=C3)OC","HGAINBGRJFALTP-UHFFFAOYSA-N","386764",NA,"PDBC34479","679443","Present"
-"Diethyl 4-hydroxy-2-methoxy-6-methyl-6,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 4-hydroxy-2-methoxy-6-methyl-6,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate","","CCOC(=O)C1=CC(NC2=C(N1)N=C(NC2=O)OC)(C)C(=O)OCC","QHRNOGTYRKVLBW-UHFFFAOYSA-N","135409161",NA,"PDBC34480","662146","Present"
-"Diethyl 4-hydroxy-6-methyl-2-(methylthio)-6,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 6-methyl-2-methylsulfanyl-4-oxo-5,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate","","CCOC(=O)C1=CC(NC2=C(N1)N=C(NC2=O)SC)(C)C(=O)OCC","AYSLOAWDYIXEEC-UHFFFAOYSA-N","135409162",NA,"PDBC34481","662148","Present"
-"Diethyl 4-methoxy-7,8-dihydropyrrolo[3,2-e]indole-2,6(3H)-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 4-methoxy-7,8-dihydropyrrolo[3,2-e]indole-2,6(3H)-dicarboxylate","","CCOC(=O)C1=CC2=C3CCN(C3=CC(=C2N1)OC)C(=O)OCC","CKJHAFJVOHJNSZ-UHFFFAOYSA-N","393077",NA,"PDBC34482","694462","Present"
-"Diethyl 5-((2-amino-6-chloro-4-pyrimidinyl)amino)-4-hydroxypentylphosphonate","","","","","","","","","","","","","","","","","","","","1-[(2-Amino-6-chloro-pyrimidin-4-yl)amino]-5-diethoxyphosphoryl-pentan-2-ol","","CCOP(=O)(CCCC(CNC1=CC(=NC(=N1)N)Cl)O)OCC","MZOMXNMWTHRVCH-UHFFFAOYSA-N","385292",NA,"PDBC34483","676404","Present"
-"Diethyl 5-((2-amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)-4-hydroxypentylphosphonate","","","","","","","","","","","","","","","","","","","","1-[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]-5-diethoxyphosphorylpentan-2-ol","","CCOP(=O)(CCCC(CNC1=C(C(=NC(=N1)N)Cl)N=NC2=CC=C(C=C2)Cl)O)OCC","VMASUNXECJSGQE-UHFFFAOYSA-N","385295",NA,"PDBC34484","676407","Present"
-"Diethyl 5-[(phenylsulfonyl)amino]benzene-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","STK470610","","CCOC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)OCC","DOVBQWPZXYTIRS-UHFFFAOYSA-N","8188933",NA,"PDBC34485","743406","Present"
-"Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]-2-thienyl]-3-propyl-1H-pyrrole-2,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]thiophen-2-yl]-3-propyl-1H-pyrrole-2,4-dicarboxylate","","CCCC1=C(NC(=C1C(=O)OCC)C2=CC=C(S2)C3=C(C(=C(N3)C(=O)OCC)CCC)C(=O)OCC)C(=O)OCC","YLZKRVZVFKPNNF-UHFFFAOYSA-N","374809",NA,"PDBC34486","653146","Present"
-"Diethyl 5-[5-[5-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-4-ethoxycarbonyl-3-methyl-1H-pyrrol-2-yl]-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]-3-methyl-1H-pyrrole-2,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 5-[5-[5-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-4-ethoxycarbonyl-3-methyl-1H-pyrrol-2-yl]-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]-3-methyl-1H-pyrrole-2,4-dicarboxylate","","CCOC(=O)C1=C(NC(=C1C)C2=C(C(=C(N2)C3=C(C(=C(N3)C(=O)OCC)C)C(=O)OCC)C(=O)OCC)C)C4=C(C(=C(N4)C(=O)OCC)C)C(=O)OCC","RTIGCUQZIWJUSZ-UHFFFAOYSA-N","382464",NA,"PDBC34487","670033","Present"
-"Diethyl 5-oxo-4-pyrrolidin-1-ylcyclopent-3-ene-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 5-oxo-4-pyrrolidin-1-yl-cyclopent-3-ene-1,3-dicarboxylate","","CCOC(=O)C1CC(=C(C1=O)N2CCCC2)C(=O)OCC","XKEOTYLWAPSOPX-UHFFFAOYSA-N","395739",NA,"PDBC34488","700539","Present"
-"Diethyl 5-phenyl-2-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyrrole-3,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 5-phenyl-2-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyrrole-3,3-dicarboxylate","","CCOC(=O)C1(C=C(N(C1=S)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C3=CC=CC=C3)C(=O)OCC","DQFUNIDIQWTPCP-UHFFFAOYSA-N","393548",NA,"PDBC34489","695618","Present"
-"Diethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethyl-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate","","CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)OC)C)C(=O)OCC)C#N)N)NC(=O)OC)C","FBOKGMFEOAUUGU-UHFFFAOYSA-N","367827",NA,"PDBC34490","637902","Present"
-"Diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate","","CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)NC3=CC=CC=C3)C)C(=O)OCC)C#N)N)NC(=O)NC4=CC=CC=C4)C","OCUZISDJIJRAFD-UHFFFAOYSA-N","367830",NA,"PDBC34491","637905","Present"
-"Diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-diureido-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-diureido-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate","","CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)N)C)C(=O)OCC)C#N)N)NC(=O)N)C","UFKDCMAMQUXQLZ-UHFFFAOYSA-N","367831",NA,"PDBC34492","637906","Present"
-"Diethyl 7-(1-adamantyl)-9-oxo-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonane-1,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 7-(1-adamantyl)-9-oxo-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonane-1,5-dicarboxylate","","CCOC(=O)C12CN(CC(C1=O)(C(OC2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC)C56CC7CC(C5)CC(C7)C6","JKJUPHVYTNXPOR-UHFFFAOYSA-N","363925",NA,"PDBC34493","629413","Present"
-"Diethyl 7-oxo-1,3,5-cycloheptatriene-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 7-oxo-1,3,5-cycloheptatriene-1,3-dicarboxylate","","CCOC(=O)C1=CC=CC(=O)C(=C1)C(=O)OCC","GLHQXZYZCVKOBV-UHFFFAOYSA-N","363077",NA,"PDBC34494","627638","Present"
-"Diethyl 8,12-dioxo-3,5-diphenyl-4,9-diazabicyclo[5.5.0]dodeca-1(7),2,5,10-tetraene-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 8,12-dioxo-3,5-diphenyl-4,9-diazabicyclo[5.5.0]dodeca-1(7),2,5,10-tetraene-2,6-dicarboxylate","","CCOC(=O)C1=C(NC(=C(C2=C1C(=O)C=CNC2=O)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4","AVNLKYQQKOWVNH-UHFFFAOYSA-N","367944",NA,"PDBC34495","638148","Present"
-"Diethyl 9-(2-ethoxy-2-oxoethyl)-7,9-dihydropyrido[1,2-a]perimidine-8,10-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl 9-(2-ethoxy-2-oxoethyl)-7,9-dihydropyrido[1,2-a]perimidine-8,10-dicarboxylate","","CCOC(=O)CC1C(=CN2C3=CC=CC4=C3C(=CC=C4)NC2=C1C(=O)OCC)C(=O)OCC","LUDLNVJTMPZHTA-UHFFFAOYSA-N","395884",NA,"PDBC34496","700979","Present"
-"Diethyl N-[-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)aminomethyl]benzoy l]-L-gluatamate","","","","","","","","","","","","","","","","","","","","Diethyl N-[-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)aminom...","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","WIWJWAREKQVOIS-UHFFFAOYSA-N","405951",NA,"PDBC34497","723740","Present"
-"Diethyl N-[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)hydroxy]benzoyl]-L-glutamate","","","","","","","","","","","","","","","","","","","","Diethyl N-[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)hydro...","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","AZQUBUNEBSSGGC-UHFFFAOYSA-N","405952",NA,"PDBC34498","723741","Present"
-"Diethyl N[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)amino]benzoyl]-L-g lutamate","","","","","","","","","","","","","","","","","","","","Diethyl N[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)amino]...","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","VMTODJCTVNGYMG-UHFFFAOYSA-N","405953",NA,"PDBC34499","723742","Present"
-"Diethyl alpha-phosphono-beta-pyrryl-acrylonitrile","","","","","","","","","","","","","","","","","","","","Diethyl .alpha.-phosphono-.beta.-pyrryl-acrylonitrile","","CCOP(=O)(C(=CC1=CC=CN1)C#N)OCC","WDKQNUUCBXHMBW-DHZHZOJOSA-N","5877588",NA,"PDBC34500","643152","Present"
-"Diethyl p-carbomethoxy benzylidene malonate","","","","","","","","","","","","","","","","","","","","Diethyl p-carbomethoxy benzylidene malonate","","CCOC(=O)C(=CC1=CC=C(C=C1)C(=O)OC)C(=O)OCC","KURZYSGABYFVJO-UHFFFAOYSA-N","370249",NA,"PDBC34501","643022","Present"
-"Diethyl p-phenoxybenzalmalonate","","","","","","","","","","","","","","","","","","","","Diethyl p-phenoxybenzalmalonate","","CCOC(=O)C(=CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)OCC","NIFRYYIVUMNLJJ-UHFFFAOYSA-N","370253",NA,"PDBC34502","643027","Present"
-"Diethyl toluene-2,4-dicarbamate","","","","","","","","","","","","","","","","","","","","NSC400615","","CCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCC","PHYURWGMBQTCSY-UHFFFAOYSA-N","343975",NA,"PDBC34503","400615","Present"
-"Diethyl tricyclo[3.1.0.02,4]hexane-3,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","diethyl tricyclo[3.1.0.02,4]hexane-3,6-dicarboxylate","","CCOC(=O)C1C2C1C3C2C3C(=O)OCC","GPNXEVNTZANIMK-UHFFFAOYSA-N","401483",NA,"PDBC34504","715141","Present"
-"Diethyl tricyclo[3.2.1.02,4]octane-2,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Diethyl tricyclo[3.2.1.02,4]octane-2,4-dicarboxylate","","CCOC(=O)C12CC1(C3CCC2C3)C(=O)OCC","SNNOKPGWXOKJIE-UHFFFAOYSA-N","372438",NA,"PDBC34505","647552","Present"
-"Diethyl {[(pyridin-4-ylcarbonothioyl)amino]methylene}malonate","","","","","","","","","","","","","","","","","","","","Diethyl {[(pyridin-4-ylcarbonothioyl)amino]methylene}malonate","","CCOC(=O)C(=CNC(=S)C1=CC=NC=C1)C(=O)OCC","RQQUVANRZVDJDT-UHFFFAOYSA-N","3004565",NA,"PDBC34506","658349","Present"
-"Diethyl(acetylamino)(dodecyl)propanedioate","","","","","","","","","","","","","","","","","","","","2-acetamido-2-lauryl-malonic acid diethyl ester","","CCCCCCCCCCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C","MJJFHXRBLZMOIC-UHFFFAOYSA-N","227967",NA,"PDBC34507","20192","Present"
-"Diethyl(dimethyl)phosphanium;bromide","","","","","","","","","","","","","","","","","","","","Diethyl(dimethyl)phosphanium;bromide","","CC[P+](C)(C)CC.[Br-]","GGCWNJBUFPKBPS-UHFFFAOYSA-M","357587",NA,"PDBC34508","617063","Present"
-"Diethyl-.alpha.-naphthylidene-.alpha.-phosphonoacetonitrile","","","","","","","","","","","","","","","","","","","","Diethyl-.alpha.-naphthylidene-.alpha.-phosphonoacetonitrile","","CCOP(=O)(C(=CC1=CC=CC2=CC=CC=C21)C#N)OCC","ARVGRJBWTHEAQQ-VBKFSLOCSA-N","54600728",NA,"PDBC34509","643188","Present"
-"Diethyl-N[4-(3-thienylquinoxalyn-2-yl)oxiphenylacetyl]-L-glu tamate","","","","","","","","","","","","","","","","","","","","Diethyl-N[4-(3-thienylquinoxalyn-2-yl)oxiphenylacetyl]-L...","","CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CS4","SIASVBMLZKQYEJ-UHFFFAOYSA-N","405631",NA,"PDBC34510","723001","Present"
-"Diethyl-alpha-phosphono-beta-furyl acrylonitrile","","","","","","","","","","","","","","","","","","","","Diethyl-.alpha.-phosphono-.beta.-furyl acrylonitrile","","CCOP(=O)(C(=CC1=CC=CO1)C#N)OCC","RFSBJTNVKBBVCS-DHZHZOJOSA-N","5822688",NA,"PDBC34511","643034","Present"
-"Diethyl-alpha-phosphono-beta-thienylacrylonitrile","","","","","","","","","","","","","","","","","","","","Diethyl- .alpha.-phosphono-.beta.-thienylacrylonitrile","","CCOP(=O)(C(=CC1=CSC=C1)C#N)OCC","IALIQRORZLTVKS-XFFZJAGNSA-N","5466803",NA,"PDBC34512","643159","Present"
-"Diethyl-methyl-[(2-nitrophenyl)methyl]azanium;chloride","","","","","","","","","","","","","","","","","","","","NSC658924","","CC[N+](C)(CC)CC1=CC=CC=C1[N+](=O)[O-].[Cl-]","ZQSNDMPOZGWDAY-UHFFFAOYSA-M","10729957",NA,"PDBC34513","658924","Present"
-"Diethylamine NONOate/AM","","","","","","","","","","","","","","","","","","","","J-014020","","CCN(CC)[N+](=NOCOC(=O)C)[O-]","NZMFKFGVIPMXHU-NTMALXAHSA-N","9571436",NA,"PDBC34514","661004","Present"
-"Diethylbis{2-[1-adamantyl(iminomethyl)]phenolato}titanium (IV)","","","","","","","","","","","","","","","","","","","","Diethylbis{2-[1-adamantyl(iminomethyl)]phenolato}titaniu...","","CC[O-].CC[O-].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[O-].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[O-].[Ti+4]","YSMPLUPEMJEILG-UHFFFAOYSA-L","368527",NA,"PDBC34515","639597","Present"
-"Diethylcarbamodithioic acid, sodium salt","","","","","","","","","","","","","","","","","","","","dedc","","CCN(CC)C(=S)S.[Na+]","IOEJYZSZYUROLN-UHFFFAOYSA-N","21192315",NA,"PDBC34516","4857","Present"
-"Diethyldithiocarbamic acid mesyl ester","","","","","","","","","","","","","","","","","","","","Carbamic acid, diethyldithio-, anhydrosulfide with metha...","","CCN(CC)C(=S)SS(=O)(=O)C","SFOIKXZFQYFFMG-UHFFFAOYSA-N","249018",NA,"PDBC34517","66933","Present"
-"Diethyltin dichloride","","","","","","","","","","","","","","","","","","","","diethyldichlorotin","","CC[Sn](CC)(Cl)Cl","YFAXVVMIXZAKSR-UHFFFAOYSA-L","91491",NA,"PDBC34518","302600","Present"
-"Diethyl{4-[(7-methoxy(4-quinolyl))amino]pentyl}amine","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-N'-(7-methoxy-4-quinolinyl)-1,4-pentanediamine","","CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC","UPZNYIXLPMJBBS-UHFFFAOYSA-N","245068",NA,"PDBC34519","56612","Present"
-"Dietil N-[4-[(3-phenyl-6,7-diaminoquinoxalin-2-yl)tio]benzoyl]-L-gl utamate","","","","","","","","","","","","","","","","","","","","Dietil N-[4-[(3-phenyl-6,7-diaminoquinoxalin-2-yl)tio]be...","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","NCCXZVMLVUPIDR-UHFFFAOYSA-N","405950",NA,"PDBC34520","723739","Present"
-"Difluoro(1,12-diphenyldodecane-1,3,10,12- tetraonato)tit...","","","","","","","","","","","","","","","","","","","","Difluoro(1,12-diphenyldodecane-1,3,10,12- tetraonato)tit...","","","","",NA,"PDBC34521","635910","Present"
-"Difluoro(1,14-diphenyltetradecane-1,3,12,14-tetraonato) ...","","","","","","","","","","","","","","","","","","","","Difluoro(1,14-diphenyltetradecane-1,3,12,14-tetraonato) ...","","","","",NA,"PDBC34522","636484","Present"
-"Difluoro(1-phenylbutane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Difluoro(1-phenylbutane-1,3-dionato)titanium(IV)","","","","",NA,"PDBC34523","635149","Present"
-"Difluorobis(1,3-diphenylpropane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Difluorobis(1,3-diphenylpropane-1,3-dionato)titanium(IV)","","","","",NA,"PDBC34524","635152","Present"
-"Difluorobis(2-trimethylacetyl-1,3-indanedionato)titanium...","","","","","","","","","","","","","","","","","","","","Difluorobis(2-trimethylacetyl-1,3-indanedionato)titanium...","","","","",NA,"PDBC34525","638744","Present"
-"Difluorobis(pentane-2,4-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Difluorobis(pentane-2,4-dionato)titanium(IV)","","","","",NA,"PDBC34526","635153","Present"
-"Difluoroethylhomocysteine","","","","","","","","","","","","","","","","","","","","Difluoroethylhomocysteine","","C(CSCC(F)F)C(C(=O)O)N","RHCLIFWLQIABLA-UHFFFAOYSA-N","369965",NA,"PDBC34527","642478","Present"
-"Diformyldapsone","","","","","","","","","","","","","","","","","","","","dfdds","","C1=CC(=CC=C1NC=O)S(=O)(=O)C2=CC=C(C=C2)NC=O","NOWADDNUCMOPLH-UHFFFAOYSA-N","23230",NA,"PDBC34528","53674","Present"
-"Digimed","","","","","","","","","","","","","","","","","","","","NSC7529","","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O","WDJUZGPOPHTGOT-UHFFFAOYSA-N","3061",NA,"PDBC34529","7529","Present"
-"Digitonin","","","","","","","","","","","","","","","","","","","","Digitin///Digitonin","","CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1","UVYVLBIGDKGWPX-UHFFFAOYSA-N","409778",NA,"PDBC34530","23471///710091","Present"
-"Digitoxigenin glycoside","","","","","","","","","","","","","","","","","","","","Digitoxigenin glycoside","","","","",NA,"PDBC34531","267713","Present"
-"Diglycolic acid, bis(2-methylallyl) ester","","","","","","","","","","","","","","","","","","","","LS-61962","","CC(=C)COC(=O)COCC(=O)OCC(=C)C","RXNOBJBOWJGYRR-UHFFFAOYSA-N","393372",NA,"PDBC34532","695203","Present"
-"Dihexadecyl 5-hydroxyisophthalate","","","","","","","","","","","","","","","","","","","","Dihexadecyl 5-hydroxyisophthalate","","CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)O)C(=O)OCCCCCCCCCCCCCCCC","LBPLECCYNXYVKY-UHFFFAOYSA-N","361966",NA,"PDBC34533","625451","Present"
-"Dihexyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate","","","","","","","","","","","","","","","","","","","","Dihexyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate","","CCCCCCOP(=O)(C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC)OCCCCCC","QISVNAHJMGYCHL-UHFFFAOYSA-N","383546",NA,"PDBC34534","671964","Present"
-"Dihydrazinylmethylhydrazine; 5-(2H-tetrazol-5-yl)-2H-tetrazole","","","","","","","","","","","","","","","","","","","","Dihydrazinylmethylhydrazine; 5-(2H-tetrazol-5-yl)-2H-tetrazole","","C1(=NNN=N1)C2=NNN=N2.C(NN)(NN)NN","YTEYZLRUODXJLZ-UHFFFAOYSA-N","3246593",NA,"PDBC34535","282003","Present"
-"Dihydro coriolin C","","","","","","","","","","","","","","","","","","","","Dihydro coriolin C","","CCCCCCC(C(=O)OC1C2C(CC1(C)C)C(C34C2(C5(CO5)C(C3O4)O)C)O)O","TUOPMMVYGZYWAF-HNCUMCIGSA-N","380563",NA,"PDBC34536","666211","Present"
-"Dihydro-3,3,4,4-tetraethyl-2,5-furandione","","","","","","","","","","","","","","","","","","","","Tetraethylsuccinic anhydride","","CCC1(C(=O)OC(=O)C1(CC)CC)CC","APJHATHBVZSBMD-UHFFFAOYSA-N","141942",NA,"PDBC34537","617281","Present"
-"Dihydroartemisinyl ether, stereoisomer of NSC-685988","","","","","","","","","","","","","","","","","","","","Dihydroartemisinyl ether, stereoisomer of NSC-685988","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C","DFPBBOCDGYBNBR-OOZODUPISA-N","6712440",NA,"PDBC34538","685989","Present"
-"Dihydroartemisinyl ether, stereoisomer of NSC-685989","","","","","","","","","","","","","","","","","","","","Dihydroartemisinyl ether, stereoisomer of NSC-685989","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C","DFPBBOCDGYBNBR-VDUGFFJNSA-N","6712439",NA,"PDBC34539","685988","Present"
-"Dihydrocoralyne sulfoacetate","","","","","","","","","","","","","","","","","","","","Dihydrocoralyne sulfoacetate","","CC1=[N+]2CCC3=CC(=C(C=C3C2=CC4=CC(=C(C=C14)OC)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O","PFWOYQZDHZOKEE-UHFFFAOYSA-M","24193635",NA,"PDBC34540","191961","Present"
-"Dihydrocoumaroyltyramine","","","","","","","","","","","","","","","","","","","","Dihydrocoumaroyltyramine","","C1=CC(=CC=C1CCC(=O)NCCC2=CC=C(C=C2)O)O","XJOMECIQGMSDHB-UHFFFAOYSA-N","387940",NA,"PDBC34541","682291","Present"
-"Dihydrodehydrodiconiferyl alcohol","","","","","","","","","","","","","","","","","","","","7-O-Methylcedrusin","","COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO","SBLZVJIHPWRSQQ-HNAYVOBHSA-N","384679",NA,"PDBC34542","674906","Present"
-"Dihydrogeiparvarim","","","","","","","","","","","","","","","","","","","","Dihydrogeiparvarim","","CC(CCOC1=CC2=C(C=C1)C=CC(=O)O2)C3=CC(=O)C(O3)(C)C","GXTVQAPXQFZGLW-UHFFFAOYSA-N","289493",NA,"PDBC34543","151655","Present"
-"Dihydrograyanotoxin II","","","","","","","","","","","","","","","","","","","","dihydrograyanotoxin ii","","CC1C2CCC3C(C2(CC(C4(C1CC(C4(C)C)O)O)O)CC3(C)O)O","IGKWESNBSFVVHE-UHFFFAOYSA-N","433104",NA,"PDBC34544","323779","Present"
-"Dihydroguaiaretic acid","","","","","","","","","","","","","","","","","","","","4-butanediylDihydroguaiaretic acid","","CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC","ADFOLUXMYYCTRR-UHFFFAOYSA-N","161924",NA,"PDBC34545","705084","Present"
-"Dihydroindicine N-oxide","","","","","","","","","","","","","","","","","","","","Dihydroindicine N-oxide","","CC(C)C(C(C)O)(C(=O)OCC1CC[N+]2(C1C(CC2)O)[O-])O","DVLCGDSBRKTUPZ-BHFLYOOQSA-N","6711253",NA,"PDBC34546","600090","Present"
-"Dihydrolenperone","","","","","","","","","","","","","","","","","","","","dihydrolenperone","","C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCCC(=O)C3=CC=C(C=C3)F","ICAYNKLSQSKOJZ-UHFFFAOYSA-N","100146",NA,"PDBC34547","343513","Present"
-"Dihydroniloticin","","","","","","","","","","","","","","","","","","","","Dihydroniloticin","","CC(CC(C1C(O1)(C)C)O)C2CCC3(C2(CCC4C3=CCC5C4(CCC(C5(C)C)O)C)C)C","UMTABACRBSGXGK-MCHKJTSXSA-N","374820",NA,"PDBC34548","653157","Present"
-"Dihydroovalicine subst.","","","","","","","","","","","","","","","","","","","","Dihydroovalicine subst.","","CC(C)CCC1C(O1)(C)C2(C(C(=O)CCC23CO3)OC)O","HEUGEMJVVOMBIB-UHFFFAOYSA-N","284996",NA,"PDBC34549","141539","Present"
-"Dihydroperillic acid","","","","","","","","","","","","","","","","","","","","DIHYDROPERILLIC ACID","","CC(=C)C1CCC(CC1)C(=O)O","XZOBEDLKVOHSSH-UHFFFAOYSA-N","381256",NA,"PDBC34550","667674","Present"
-"Dihydropyridone indazole amide 13","","","","","","","","","","","","","","","","","","","","GSK466314A","","CC1=C2C=C(C=CC2=NN1)NC(=O)C3=C(NC(=O)CC3C4=CC=C(C=C4)C(F)(F)F)C","HKWUUOHQLQALHL-UHFFFAOYSA-N","11453116",NA,"PDBC34551","756174","Present"
-"Dihydroresveratrol","","","","","","","","","","","","","","","","","","","","Dihydroresveratrol","","C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O","HITJFUSPLYBJPE-UHFFFAOYSA-N","185914",NA,"PDBC34552","723534","Present"
-"Dihydrorobinetin","","","","","","","","","","","","","","","","","","","","FLAVANONE, 3, 3',4',5',7-PENTAHYDROXY","","C1=CC2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C(=C3)O)O)O","VSJCDPYIMBSOKN-UHFFFAOYSA-N","20399",NA,"PDBC34553","59266","Present"
-"Dihydrosinularin","","","","","","","","","","","","","","","","","","","","Dihydrosinularin","","CC1C2CCC3(C(O3)CCC(=CCCC(C(C2)OC1=O)(C)O)C)C","WDEIQHZSEQJHHX-AWNIVKPZSA-N","5358849",NA,"PDBC34554","285707","Present"
-"Dihydrotomatidine B","","","","","","","","","","","","","","","","","","","","Dihydrotomatidine","","CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)O","PNCADIYJKRZFGU-HRRTYWNUSA-N","232384",NA,"PDBC34555","71297","Present"
-"Dihydrotriazine derivative","","","","","","","","","","","","","","","","","","","","Dihydrotriazine derivative","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C","JNVLQWBZTYBYKN-UHFFFAOYSA-N","160202",NA,"PDBC34556","127755","Present"
-"Dihydroxanthinin","","","","","","","","","","","","","","","","","","","","Dihydroxanthinin","","CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(C(=O)O2)C","XXKCCBFCBFYRGB-UHFFFAOYSA-N","282782",NA,"PDBC34557","136703","Present"
-"Dihydroxy(oxo)ammonium; diphenyliodonium","","","","","","","","","","","","","","","","","","","","Diphenyliodonium nitrate","","C1=CC=C(C=C1)[I+]C2=CC=CC=C2.[N+](=O)(O)O","NIISOMRNXDBVNL-UHFFFAOYSA-N","6332372",NA,"PDBC34558","90597","Present"
-"Dihydroxy(oxo)azanium;16,17,18,19-tetrahydro-3H-yohimban-13-ium","","","","","","","","","","","","","","","","","","","","NSC127571///SEMPERVIRINE, NITRATE, DIHYDRATE","","C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4.[N+](=O)(O)O","NYLUYOANENVLBH-UHFFFAOYSA-O","6332663",NA,"PDBC34559","127571///407299","Present"
-"Dihydroxy(oxo)azanium;3-N,3-N,6-N,6-N,2,7,10-heptamethylacridin-10-ium-3,6-diamine","","","","","","","","","","","","","","","","","","","","Dihydroxy(oxo)azanium;3-N,3-N,6-N,6-N,2,7,10-heptamethylacridin-10-ium-3,6-diamine","","CC1=CC2=CC3=C(C=C(C(=C3)C)N(C)C)[N+](=C2C=C1N(C)C)C.[N+](=O)(O)O","YLFQLTHKSZCWDN-UHFFFAOYSA-N","6332023",NA,"PDBC34560","34606","Present"
-"Diindeno[1,2-c:1,2-e]pyridazin-12(7H)-one","","","","","","","","","","","","","","","","","","","","11,12-Diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-20-one","","C1C2=CC=CC=C2C3=C1N=NC4=C3C(=O)C5=CC=CC=C54","DXLRHOVMJIANEN-UHFFFAOYSA-N","387040",NA,"PDBC34561","680360","Present"
-"Diindolo[2,2-h]quinolizine","","","","","","","","","","","","","","","","","","","","Diindolo[2,3-a:3,2-h]quinolizine","","C1=CC=C2C(=C1)C3=C(N2)C4=C5C(=C6C=CC=CC6=N5)C=CN4C=C3","MNJDUMFRXPRNJB-UHFFFAOYSA-N","386223",NA,"PDBC34562","677939","Present"
-"Diiodobenzotepa","","","","","","","","","","","","","","","","","","","","dijodbenzotef","","C1CN1P(=O)(NC(=O)C2=C(C=CC(=C2)I)I)N3CC3","BFKKCDNAUZMDOX-UHFFFAOYSA-N","98818",NA,"PDBC34563","167781","Present"
-"Diisobutyl 2,2,2-trifluoro-1-((phenylsulfonyl)amino)-1-(trifluoromethyl)ethylphosphonate","","","","","","","","","","","","","","","","","","","","N-[1-Diisobutoxyphosphoryl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzenesulfonamide","","CC(C)COP(=O)(C(C(F)(F)F)(C(F)(F)F)NS(=O)(=O)C1=CC=CC=C1)OCC(C)C","QZYYWKNKUGBERL-UHFFFAOYSA-N","389109",NA,"PDBC34564","684794","Present"
-"Diisopropoxybis(1,4-naphthochinone-2-olato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diisopropoxybis(1,4-naphthochinone-2-olato)titanium(IV)","","CC(C)[O-].CC(C)[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].[Ti+4]","GBPDRFJBZLKMDG-UHFFFAOYSA-L","368058",NA,"PDBC34565","638383","Present"
-"Diisopropoxybis(chinoline-8-olato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diisopropoxybis(chinoline-8-olato)titanium(IV)","","CC(C)[O-].CC(C)[O-].C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Ti+4]","OMVMRNPAGFQJLL-UHFFFAOYSA-L","24202322",NA,"PDBC34566","638737","Present"
-"Diisopropoxybis(tropolonato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diisopropoxybis(tropolonato)titanium(IV)","","CC(C)[O-].CC(C)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Ti+4]","QYDZMNXGGJLJFG-UHFFFAOYSA-L","368274",NA,"PDBC34567","638738","Present"
-"Diisopropyl ((2-hydroxyethyl)amino)-4-(hydroxy(oxido)amino)benzohydrazonoylphosphonate","","","","","","","","","","","","","","","","","","","","1-Diisopropoxyphosphoryl-N-(2-hydroxyethyl)-N'-(4-nitroanilino)formamidine","","CC(C)OP(=O)(C(=NCCO)NNC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C","KYYFLYIYFJNJMX-UHFFFAOYSA-N","3786165",NA,"PDBC34568","652146","Present"
-"Diisopropyl (1-hydroxy-1-methylethyl)phosphonate","","","","","","","","","","","","","","","","","","","","ZX-AT021245","","CC(C)OP(=O)(C(C)(C)O)OC(C)C","RNKXVPYDSTZDJD-UHFFFAOYSA-N","389110",NA,"PDBC34569","684795","Present"
-"Diisopropyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","(+)-trans-4,5-Bis[isopropoxycarbonyl]-2,2-dimethyl-1,3-d...","","CC(C)OC(=O)C1C(OC(O1)(C)C)C(=O)OC(C)C","DSGKZMJPCBCYID-NXEZZACHSA-N","6712406",NA,"PDBC34570","680766","Present"
-"Diisopropyl 2-phosphono-3-(2-furan)acrylonitrile","","","","","","","","","","","","","","","","","","","","Diisopropyl 2-phosphono-3-(2-furan)acrylonitrile","","CC(C)OP(=O)(C(=CC1=CC=CO1)C#N)OC(C)C","HDHNSCQFOVIPGX-MDWZMJQESA-N","5467928",NA,"PDBC34571","660149","Present"
-"Diisopropyl 2-phosphono-3-(3-indole)acrylonitrile","","","","","","","","","","","","","","","","","","","","Diisopropyl 2-phosphono-3-(3-indole)acrylonitrile","","CC(C)OP(=O)(C(=CC1=CNC2=CC=CC=C21)C#N)OC(C)C","NQAGBAGRZOZXKP-OQLLNIDSSA-N","5467935",NA,"PDBC34572","660157","Present"
-"Diisopropyl 4-(hydroxy(oxido)amino)(iodo)benzohydrazonoylphosphonate","","","","","","","","","","","","","","","","","","","","(1Z)-1-Diisopropoxyphosphoryl-N-(4-nitrophenyl)methanehydrazonoyl iodide","","CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])I)OC(C)C","VVNVYPJCGGFPJG-DTQAZKPQSA-N","9571401",NA,"PDBC34573","652130","Present"
-"Diisopropyl anilino-4-(hydroxy(oxido)amino)benzohydrazonoylphosphonate","","","","","","","","","","","","","","","","","","","","1-Diisopropoxyphosphoryl-N'-(4-nitroanilino)-N-phenyl-formamidine","","CC(C)OP(=O)(C(=NC1=CC=CC=C1)NNC2=CC=C(C=C2)[N+](=O)[O-])OC(C)C","VKNHYBZDZGQMPB-UHFFFAOYSA-N","3720350",NA,"PDBC34574","652147","Present"
-"Diisopropyl benzothioylamidophosphate","","","","","","","","","","","","","","","","","","","","Diisopropyl benzothioylamidophosphate","","CC(C)OP(=O)(NC(=S)C1=CC=CC=C1)OC(C)C","JQNWBPBVDCWKDM-UHFFFAOYSA-N","3004396",NA,"PDBC34575","650440","Present"
-"Diisopropyl benzoyl(2-(4-(hydroxy(oxido)amino)phenyl)hydrazino)carbohydrazonoylphosphonate","","","","","","","","","","","","","","","","","","","","N-[(E)-[Diisopropoxyphosphoryl-[2-(4-nitrophenyl)hydrazino]methylene]amino]benzamide","","CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])NNC(=O)C2=CC=CC=C2)OC(C)C","OXSKGHKMGCFXRY-UHFFFAOYSA-N","9556178",NA,"PDBC34576","652142","Present"
-"Diisopropyl chloro-4-(hydroxy(oxido)amino)benzohydrazonoylphosphonate","","","","","","","","","","","","","","","","","","","","(1Z)-1-Diisopropoxyphosphoryl-N-(4-nitrophenyl)methanehydrazonoyl chloride","","CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])Cl)OC(C)C","QOKQRXXZPBPCKX-DTQAZKPQSA-N","9555908",NA,"PDBC34577","652137","Present"
-"Diisopropyl fluoro-4-(hydroxy(oxido)amino)benzohydrazonoylphosphonate","","","","","","","","","","","","","","","","","","","","(1E)-1-Diisopropoxyphosphoryl-N-(4-nitrophenyl)methanehydrazonoyl fluoride","","CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])F)OC(C)C","ZGEQZTHCQQNBQF-DTQAZKPQSA-N","9571402",NA,"PDBC34578","652131","Present"
-"Diisopropyl flurophosphate","","","","","","","","","","","","","","","","","","","","Diisopropyl flurophosphate","","CCOCP(=O)(COCC)F","KEWLCECWOZTPIE-UHFFFAOYSA-N","24203253",NA,"PDBC34579","727370","Present"
-"Diisopropyl phenyl(3-(trifluoromethyl)anilino)methylphosphonate","","","","","","","","","","","","","","","","","","","","Diisopropyl phenyl(3-(trifluoromethyl)anilino)methylphosphonate","","CC(C)OP(=O)(C(C1=CC=CC=C1)NC2=CC=CC(=C2)C(F)(F)F)OC(C)C","AYIWGPDNEAZTHT-UHFFFAOYSA-N","385494",NA,"PDBC34580","676743","Present"
-"Diketocoriolin B","","","","","","","","","","","","","","","","","","","","diketocoriolin b","","CCCCCCCC(=O)OC1C2C(CC1(C)C)C(=O)C34C2(C5(CO5)C(=O)C3O4)C","WEFMOIXWHANDPP-BAPOVYBWSA-N","294475",NA,"PDBC34581","163027","Present"
-"Dilauryl phosphite","","","","","","","","","","","","","","","","","","","","dilauryl phosphite","","CCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCC","QBCOASQOMILNBN-UHFFFAOYSA-N","6327798",NA,"PDBC34582","41924","Present"
-"Dillapional","","","","","","","","","","","","","","","","","","","","Dillapional","","COC1=C(C2=C(C=C1C=CC=O)OCO2)OC","UQBPCDWQJZVCPU-ONEGZZNKSA-N","5458880",NA,"PDBC34583","369504","Present"
-"Dimacrone","","","","","","","","","","","","","","","","","","","","Dimacrone","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)C","FQBPSNDGSYTJBT-UHFFFAOYSA-N","364460",NA,"PDBC34584","630721","Present"
-"Dimefline","","","","","","","","","","","","","","","","","","","","demefline///malivan","","CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)C3=CC=CC=C3","ZXFQRFXLFWWKLX-UHFFFAOYSA-N","3078",NA,"PDBC34585","114650///169869","Present"
-"Dimetacrine","","","","","","","","","","","","","","","","","","","","dimethacrin","","CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCN(C)C)C","RYQOGSFEJBUZBX-UHFFFAOYSA-N","94280",NA,"PDBC34586","100297","Present"
-"Dimethane sulfonate","","","","","","","","","","","","","","","","","","","","benzaldehyde (BEN)","","CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=O","CQVKMVQRSNNAGO-UHFFFAOYSA-N","322931",NA,"PDBC34587","281612","Present"
-"Dimethoxy-azatoxin","","","","","","","","","","","","","","","","","","","","dimethoxy-azatoxin","","C1C2COC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC=C(C=C5)O","UIBKJYMACSEZBK-KPZWWZAWSA-N","381590",NA,"PDBC34588","668381","Present"
-"Dimethyl (1R)-5,6,7-trimethoxy-1-(2,3,4-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (1R)-5,6,7-trimethoxy-1-(2,3,4-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","COC1=C(C(=C(C=C1)C2C(C(=CC3=C(C(=C(C=C23)OC)OC)OC)C(=O)OC)C(=O)OC)OC)OC","DRCSWTONBOMEIL-XJDOXCRVSA-N","359008",NA,"PDBC34589","619220","Present"
-"Dimethyl (1R,2R,3R,4R)-1,4-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]carbazole-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl(1r,2r,3r,4r)-1,4-dimethyl-2,3,4,11-tetrahydro-1h-benzo[a]carbazole-2,3-dicarboxylate","","CC1C(C(C(C2=C1C=CC3=C2NC4=CC=CC=C34)C)C(=O)OC)C(=O)OC","SYKFZNOIYOZPSV-LFSCOCTRSA-N","398953",NA,"PDBC34590","709322","Present"
-"Dimethyl (1S)-4-hydroxy-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (1S)-4-hydroxy-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","COC1=CC(=CC(=C1OC)OC)C2C(C(=C(C3=CC(=C(C(=C23)OC)OC)OC)O)C(=O)OC)C(=O)OC","WLIZYSNULHDOIJ-KKFHFHRHSA-N","54676214",NA,"PDBC34591","619219","Present"
-"Dimethyl (1S)-5,7,8-trimethoxy-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (1S)-5,7,8-trimethoxy-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","COC1=CC(=C(C=C1C2C(C(=CC3=C2C(=C(C=C3OC)OC)OC)C(=O)OC)C(=O)OC)OC)OC","YHZOHVLWMUBGAD-BBQAJUCSSA-N","359067",NA,"PDBC34592","619535","Present"
-"Dimethyl (1S)-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (1S)-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate","","COC1=CC(=CC(=C1OC)OC)C2C(C(=CC3=CC(=C(C(=C23)OC)OC)OC)C(=O)OC)C(=O)OC","IMZGATWONIEBEF-ZQRQZVKFSA-N","359002",NA,"PDBC34593","619214","Present"
-"Dimethyl (1S,2R,2'S,5R,5'S,6R,8aS)-2-acetyloxy-5'-(furan-3-yl)-2'-methoxy-6-methylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,3'-oxolane]-1,8a-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (1S,2R,2'S,5R,5'S,6R,8aS)-2-acetyloxy-5'-(furan-3-yl)-2'-methoxy-6-methylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,3'-oxolane]-1,8a-dicarboxylate","","CC1CCC2(C(C13CC(OC3OC)C4=COC=C4)CCC(C2C(=O)OC)OC(=O)C)C(=O)OC","ACOXDRXRKBLMHL-YVNDCLQCSA-N","390653",NA,"PDBC34594","688256","Present"
-"Dimethyl (1S,2S,6S,8S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (1S,2S,6S,8S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate","","CC1(OC2C3C(CCC4=NOC(C34C(=O)OC)(C(C2O1)O[Si](C)(C)C(C)(C)C)C(=O)OC)OCC5=CC=CC=C5)C","DMRYIWCLYGZUHQ-SVEMFVIQSA-N","360860",NA,"PDBC34595","623521","Present"
-"Dimethyl (1S,2S,8S,11R,13S,14S)-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-2,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (1S,2S,8S,11R,13S,14S)-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-2,7-dicarboxylate","","CC12CC3C4C(O4)(C(CC(CC(=O)C(C(O1)C(=O)C2)C(=O)OC)C(=C)C=O)C(=O)OC)C(=O)O3","LGRJLHIJDAQIMR-TXWNJPJDSA-N","54612712",NA,"PDBC34596","732949","Present"
-"Dimethyl (1S,7S,8S,9S,10S,12S)-9,10-diacetyloxy-11-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-2-oxa-3-azatricyclo[6.3.1.04,12]dodec-3-ene-1,12-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (1S,7S,8S,9S,10S,12S)-9,10-diacetyloxy-11-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-2-oxa-3-azatricyclo[6.3.1.04,12]dodec-3-ene-1,12-dicarboxylate","","CC(=O)OC1C2C(CCC3=NOC(C23C(=O)OC)(C(C1OC(=O)C)O[Si](C)(C)C(C)(C)C)C(=O)OC)OCC4=CC=CC=C4","FFOBGGKXRFBRKK-IEKODYKCSA-N","360859",NA,"PDBC34597","623520","Present"
-"Dimethyl (1S,8S,14S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (1S,8S,14S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate","","CC1(OC2C3C(CCC4=NOC(C34C(=O)OC)(C(C2O1)O[Si](C)(C)C(C)(C)C)C(=O)OC)OCC5=CC=CC=C5)C","DMRYIWCLYGZUHQ-DHLUTYDOSA-N","360858",NA,"PDBC34598","623519","Present"
-"Dimethyl (2-(phenylthio)ethyl)malonate","","","","","","","","","","","","","","","","","","","","Dimethyl [2-(phenylthio)ethyl]malonate","","COC(=O)C(CCSC1=CC=CC=C1)C(=O)OC","SRAYJSYVBOONEG-UHFFFAOYSA-N","390699",NA,"PDBC34599","688340","Present"
-"Dimethyl (2R)-2-(1,3-benzodioxol-5-yl)-5-oxooxolane-3,4-dicarboxylate;dimethyl (2R,4S)-2-(1,3-benzodioxol-5-yl)-5-oxooxolane-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (2R)-2-(1,3-benzodioxol-5-yl)-5-oxooxolane-3,4-dicarboxylate;dimethyl (2R,4S)-2-(1,3-benzodioxol-5-yl)-5-oxooxolane-3,4-dicarboxylate","","COC(=O)C1C(C(=O)OC1C2=CC3=C(C=C2)OCO3)C(=O)OC.COC(=O)C1C(C(=O)OC1C2=CC3=C(C=C2)OCO3)C(=O)OC","OHGCURSTYJMIOP-YMESYPKUSA-N","360105",NA,"PDBC34600","621963","Present"
-"Dimethyl (2R)-2-(2,4-dimethoxyphenyl)-5-oxooxolane-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (2R)-2-(2,4-dimethoxyphenyl)-5-oxooxolane-3,4-dicarboxylate","","COC1=CC(=C(C=C1)C2C(C(C(=O)O2)C(=O)OC)C(=O)OC)OC","WXXYUMGJJMHAMD-BPCQOVAHSA-N","359070",NA,"PDBC34601","619538","Present"
-"Dimethyl (2R)-2-(4-methoxyphenyl)-5-oxooxolane-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (2R)-2-(4-methoxyphenyl)-5-oxooxolane-3,4-dicarboxylate","","COC1=CC=C(C=C1)C2C(C(C(=O)O2)C(=O)OC)C(=O)OC","FGVSVWWUVOUBPM-MCIGGMRASA-N","359071",NA,"PDBC34602","619539","Present"
-"Dimethyl (2R)-3-methylidenecyclopropane-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","NSC700123","","COC(=O)C1C(C1=C)C(=O)OC","BBYRCAPYYSBUQL-ZBHICJROSA-N","395482",NA,"PDBC34603","700123","Present"
-"Dimethyl (2S,4aR,4bS,6aS,11aS,11bR)-2,7-dihydroxy-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthrene-9,10-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (2S,4aR,4bS,6aS,11aS,11bR)-2,7-dihydroxy-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthrene-9,10-dicarboxylate","","CC12CCC(CC1=CCC3C2CCC4(C3CC5=C(C(=CC(=C54)O)C(=O)OC)C(=O)OC)C)O","PUSREACFDNWXQI-PCFWKXQRSA-N","247745",NA,"PDBC34604","63010","Present"
-"Dimethyl (2Z)-2-(dimethylcarbamothioylimino)-3-phenyl-1,3-thiazole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (2Z)-2-(dimethylcarbamothioylimino)-3-phenyl-1,3-thiazole-4,5-dicarboxylate","","CN(C)C(=S)N=C1N(C(=C(S1)C(=O)OC)C(=O)OC)C2=CC=CC=C2","UMROEGIKPVPXNY-MSUUIHNZSA-N","9569858",NA,"PDBC34605","622583","Present"
-"Dimethyl (2Z)-3-(4-chlorophenyl)-2-(dimethylcarbamothioylimino)-1,3-thiazole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (2Z)-3-(4-chlorophenyl)-2-(dimethylcarbamothioylimino)-1,3-thiazole-4,5-dicarboxylate","","CN(C)C(=S)N=C1N(C(=C(S1)C(=O)OC)C(=O)OC)C2=CC=C(C=C2)Cl","XEXGXWWKANCFDQ-VLGSPTGOSA-N","9569859",NA,"PDBC34606","622584","Present"
-"Dimethyl (3R,5S)-5-ethenyl-6-oxa-11,18-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(18),7,10,12,14,16-hexaene-3,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (3R,5S)-5-ethenyl-6-oxa-11,18-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(18),7,10,12,14,16-hexaene-3,8-dicarboxylate","","COC(=O)C1=C2C(CC(O2)C=C)(CC3=NC4=CC=CC=C4N=C3C1)C(=O)OC","GZGXPWMQFYHFLO-GTJPDFRWSA-N","397777",NA,"PDBC34607","706200","Present"
-"Dimethyl (3S,5R)-2-oxo-5-(2,3,4-trimethoxyphenyl)oxolane-3,4-dicarboxylate;dimethyl (5R)-2-oxo-5-(2,3,4-trimethoxyphenyl)oxolane-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (3S,5R)-2-oxo-5-(2,3,4-trimethoxyphenyl)oxolane-3,4-dicarboxylate;dimethyl (5R)-2-oxo-5-(2,3,4-trimethoxyphenyl)oxolane-3,4-dicarboxylate","","COC1=C(C(=C(C=C1)C2C(C(C(=O)O2)C(=O)OC)C(=O)OC)OC)OC.COC1=C(C(=C(C=C1)C2C(C(C(=O)O2)C(=O)OC)C(=O)OC)OC)OC","LCOYAAUOSUZDOJ-YMESYPKUSA-N","360102",NA,"PDBC34608","621962","Present"
-"Dimethyl (3S,5R)-2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate;dimethyl (5R)-2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (3S,5R)-2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate;dimethyl (5R)-2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate","","COC1=CC(=C(C=C1C2C(C(C(=O)O2)C(=O)OC)C(=O)OC)OC)OC.COC1=CC(=C(C=C1C2C(C(C(=O)O2)C(=O)OC)C(=O)OC)OC)OC","VPWJPPXNICJDBZ-CEOGMKBFSA-N","360099",NA,"PDBC34609","621961","Present"
-"Dimethyl (3S,5R)-2-oxo-5-(3,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (3S,5R)-2-oxo-5-(3,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate","","COC1=CC(=CC(=C1OC)OC)C2C(C(C(=O)O2)C(=O)OC)C(=O)OC","ONJVECHHDILUID-SPOOISQMSA-N","359068",NA,"PDBC34610","619536","Present"
-"Dimethyl (3S,5R)-5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxybenzoyl)-2-oxooxolane-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (3S,5R)-5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxybenzoyl)-2-oxooxolane-3,4-dicarboxylate","","COC1=C(C=C(C=C1)C(=O)C2(C(C(OC2=O)C3=CC4=C(C=C3)OCO4)C(=O)OC)C(=O)OC)OC","FDQNWYFLRYYYSB-GRZKKUKKSA-N","6711356",NA,"PDBC34611","622095","Present"
-"Dimethyl (4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-dicarboxylate","","CC1(CCCC2(C1CCC3=CC(=C(C=C32)C(=O)OC)C(=O)OC)C)C","DEZJLRNOZZMFMJ-FBLFFUNLSA-N","405112",NA,"PDBC34612","722066","Present"
-"Dimethyl (5R)-3-(1,3-benzodioxole-5-carbonyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (5R)-3-(1,3-benzodioxole-5-carbonyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate","","COC1=CC(=CC(=C1OC)OC)C2C(C(C(=O)O2)(C(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC)C(=O)OC","OHQGOYFQERXHDI-CSKUQDPHSA-N","359072",NA,"PDBC34613","619540","Present"
-"Dimethyl (5S,8S,9S,11R)-8-(dimethoxymethyl)-10-azatricyclo[6.3.1.01,5]dodecane-9,11-dicarboxylate","","","","","","","","","","","","","","","","","","","","(1R,5S,8S,9S,11R)-(-)-8-Dimethoxymethyl-10-azatricyclo[6...","","COC(C12CCC3CCCC3(C1)C(NC2C(=O)OC)C(=O)OC)OC","CUUOZJHAEBIRFT-PPXGJUPPSA-N","6711991",NA,"PDBC34614","650704","Present"
-"Dimethyl (6R,7R,8R,9R)-7-(3-chlorophenyl)-9-hydroxy-9-methyl-1-thia-4-azaspiro[4.5]decane-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (6R,7R,8R,9R)-7-(3-chlorophenyl)-9-hydroxy-9-methyl-1-thia-4-azaspiro[4.5]decane-6,8-dicarboxylate","","CC1(CC2(C(C(C1C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)OC)NCCS2)O","KYHPLRLVDSNBCZ-MUJFYMCSSA-N","398949",NA,"PDBC34615","709317","Present"
-"Dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.2.2.14,7.18,11]icosa-1(17),4,7,10,14(18),15-hexaene-5,10-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.2.2.14,7.18,11]icosa-1(17),4,7,10,14(18),15-hexaene-5,10-dicarboxylate","","COC(=O)C1=C2SCC3=CC=C(CSC4=C(SC(=C(S1)S2)S4)C(=O)OC)C=C3","CLDVCZLYYIWDSV-ZCXUNETKSA-N","5470903",NA,"PDBC34616","706168","Present"
-"Dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.3.1.14,7.18,11]icosa-1(18),4,7,10,14,16-hexaene-5,10-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.3.1.14,7.18,11]icosa-1(18),4,7,10,14,16-hexaene-5,10-dicarboxylate","","COC(=O)C1=C2SCC3=CC(=CC=C3)CSC4=C(SC(=C(S1)S2)S4)C(=O)OC","JHZIHZXDPMUEPL-ZCXUNETKSA-N","5470904",NA,"PDBC34617","706169","Present"
-"Dimethyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate","","COC1=CC(=CC(=C1OC)OC)C2C(C(=C(C3=CC4=C(C=C23)OCO4)O)C(=O)OC)C(=O)OC","GNSDRGXYVBTJDQ-OYKVQYDMSA-N","54676213",NA,"PDBC34618","619218","Present"
-"Dimethyl (8S)-8-(1,3-benzodioxol-5-yl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl (8S)-8-(1,3-benzodioxol-5-yl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate","","COC(=O)C1C(C2=CC3=C(C=C2C=C1C(=O)OC)OCO3)C4=CC5=C(C=C4)OCO5","HSQNZAUVIJBJOR-XJDOXCRVSA-N","359004",NA,"PDBC34619","619216","Present"
-"Dimethyl (E)-2,3-bis[(2,4,6-trimethylphenyl)selanyl]but-2-enedioate","","","","","","","","","","","","","","","","","","","","Dimethyl (E)-2,3-bis[(2,4,6-trimethylphenyl)selanyl]but-2-enedioate","","CC1=CC(=C(C(=C1)C)[Se]C(=C(C(=O)OC)[Se]C2=C(C=C(C=C2C)C)C)C(=O)OC)C","CTXRTQSZWDHWMW-QURGRASLSA-N","3005843",NA,"PDBC34620","626153","Present"
-"Dimethyl (E)-2-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-5-yl)but-2-enedioate","","","","","","","","","","","","","","","","","","","","Dimethyl (E)-2-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-5-yl)but-2-enedioate","","CC1=C2C=C(C=C2C=CC3=C1NC4=CC=CC=C34)C(=CC(=O)OC)C(=O)OC","LNVNVXHHXKQRJY-XDHOZWIPSA-N","5471609",NA,"PDBC34621","711959","Present"
-"Dimethyl (E)-3-[5-[(3aS,4S,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]tetrazol-1-yl]pent-2-enedioate","","","","","","","","","","","","","","","","","","","","Dimethyl (E)-3-[5-[(3aS,4S,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]tetrazol-1-yl]pent-2-enedioate","","CC1(OC2C(CC(C2O1)C3=NN=NN3C(=CC(=O)OC)CC(=O)OC)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C","SSRNEWVNIIULLI-SLAJDTBCSA-N","5472013",NA,"PDBC34622","715989","Present"
-"Dimethyl (Z)-2,5-bis(benzhydrylideneamino)hex-2-enedioate","","","","","","","","","","","","","","","","","","","","Dimethyl (Z)-2,5-bis(benzhydrylideneamino)hex-2-enedioate","","COC(=O)C(CC=C(C(=O)OC)N=C(C1=CC=CC=C1)C2=CC=CC=C2)N=C(C3=CC=CC=C3)C4=CC=CC=C4","FLBQJHMMSAZDNF-FAJYDZGRSA-N","5467349",NA,"PDBC34623","650984","Present"
-"Dimethyl (Z)-2-(4-methyl-2,5-dioxo-1H-oxazolo[3,2-a]quinolin-1-yl)but-2-enedioate","","","","","","","","","","","","","","","","","","","","Dimethyl (Z)-2-(4-methyl-2,5-dioxo-1H-oxazolo[3,2-a]quinolin-1-yl)but-2-enedioate","","CC1=C2N(C(C(=O)O2)C(=CC(=O)OC)C(=O)OC)C3=CC=CC=C3C1=O","PKEJVWJQGRSKNY-FLIBITNWSA-N","5468507",NA,"PDBC34624","670993","Present"
-"Dimethyl 1',3'-dibenzyl-7,7-dimethyl-5-methylsulfanylspiro[8,8a-dihydro-4aH-thiochromene-4,2'-imidazolidine]-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1',3'-dibenzyl-7,7-dimethyl-5-methylsulfanylspiro[8,8a-dihydro-4aH-thiochromene-4,2'-imidazolidine]-2,3-dicarboxylate","","CC1(CC2C(C(=C1)SC)C3(C(=C(S2)C(=O)OC)C(=O)OC)N(CCN3CC4=CC=CC=C4)CC5=CC=CC=C5)C","HFNMXHLBLCDVMK-UHFFFAOYSA-N","365698",NA,"PDBC34625","633552","Present"
-"Dimethyl 1,19,20,21,22,22-hexachloro-3,17-dioxo-6-azahexacyclo[17.2.1.02,18.04,16.05,13.07,12]docosa-2(18),4,7,9,11,13,15-heptaene-14,15-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1,19,20,21,22,22-hexachloro-3,17-dioxo-6-azahexacyclo[17.2.1.02,18.04,16.05,13.07,12]docosa-2(18),4,7,9,11,13,15-heptaene-14,15-dicarboxylate","","COC(=O)C1=C2C3=CC=CC=C3NC2=C4C(=C1C(=O)OC)C(=O)C5=C(C4=O)C6(C(C(C5(C6(Cl)Cl)Cl)Cl)Cl)Cl","DZSXSEOBPROUOW-UHFFFAOYSA-N","403970",NA,"PDBC34626","719904","Present"
-"Dimethyl 1,2,3-trimethoxy-8-oxo-7,8-dihydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-6,6(5H)-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3,4,5-trimethoxy-11-oxo-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene-9,9-dicarboxylate","","COC1=C(C(=C2C(=C1)CC(CC(=O)C3=CC4=C(C=C32)OCO4)(C(=O)OC)C(=O)OC)OC)OC","KALCTKGAZPPMSC-UHFFFAOYSA-N","372676",NA,"PDBC34627","648209","Present"
-"Dimethyl 1,3-adamantanedicarboxylate","","","","","","","","","","","","","","","","","","","","Maybridge3_000989","","COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC","YXMDGBXGJKYMQL-UHFFFAOYSA-N","365223",NA,"PDBC34628","632548","Present"
-"Dimethyl 1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate","","COC(=O)C1C(N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC","BBTUUSONTSSVJB-UHFFFAOYSA-N","392709",NA,"PDBC34629","693426","Present"
-"Dimethyl 1,4-benzenedicarbodithioate","","","","","","","","","","","","","","","","","","","","Dimethyl 1,4-benzenedicarbodithioate","","CSC(=S)C1=CC=C(C=C1)C(=S)SC","VUEUPCUCWCUHRZ-UHFFFAOYSA-N","361856",NA,"PDBC34630","625177","Present"
-"Dimethyl 1,4-dihydro-1,2,4-triazine-3,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1,4-dihydro-1,2,4-triazine-3,6-dicarboxylate","","COC(=O)C1=CN=C(NN1)C(=O)OC","WQVYUZDIZICNIW-UHFFFAOYSA-N","5465283",NA,"PDBC34631","644314","Present"
-"Dimethyl 1,4-dimethoxy-7-oxo-5,6,8,9-tetrahydrobenzo[7]annulene-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 6,9-Dimethoxy-3-oxo-1,2,4,5- tetrahydrobenzo[d]...","","COC1=C2CC(C(=O)C(CC2=C(C=C1)OC)C(=O)OC)C(=O)OC","RNGXTNJXGLLHLP-UHFFFAOYSA-N","391588",NA,"PDBC34632","691043","Present"
-"Dimethyl 1,6,7,10-tetramethylfluoranthene-8,9-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1,6,7,10-tetramethylfluoranthene-8,9-dicarboxylate","","CC1=C2C3=C(C(=C(C(=C3C4=C(C=CC(=C24)C=C1)C)C)C(=O)OC)C(=O)OC)C","GDGBSSOXLHZDQI-UHFFFAOYSA-N","393210",NA,"PDBC34633","694698","Present"
-"Dimethyl 1-(1-amino-2-(methylthio)-4-phenyl-1H-imidazol-5-yl)-1,2-hydrazinedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1-(1-amino-2-(methylthio)-4-phenyl-1H-imidazol-5-yl)-1,2-hydrazinedicarboxylate","","COC(=O)NN(C1=C(N=C(N1N)SC)C2=CC=CC=C2)C(=O)OC","FEKWTCLUSWETGJ-UHFFFAOYSA-N","391867",NA,"PDBC34634","691530","Present"
-"Dimethyl 1-(2-methylbenzotriazol-5-yl)-6-oxo-pyridine-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1-(2-methylbenzotriazol-5-yl)-6-oxo-pyridine-3,4-dicarboxylate","","CN1N=C2C=CC(=CC2=N1)N3C=C(C(=CC3=O)C(=O)OC)C(=O)OC","ZEEFILGKBGEOPG-UHFFFAOYSA-N","391105",NA,"PDBC34635","689723","Present"
-"Dimethyl 1-(Diphenylmethylamino)piperonylphosphonate","","","","","","","","","","","","","","","","","","","","Dimethyl 1-(Diphenylmethylamino)piperonylphosphonate","","COP(=O)(C(C1=CC2=C(C=C1)OCO2)NC(C3=CC=CC=C3)C4=CC=CC=C4)OC","LVEBSOJTMGFMTA-UHFFFAOYSA-N","24206024",NA,"PDBC34636","737732","Present"
-"Dimethyl 1-(acetylamino)-2-(1-acetyl-1H-indol-3-yl)vinylphosphonate","","","","","","","","","","","","","","","","","","","","N-[(E)-2-(1-Acetylindol-3-yl)-1-dimethoxyphosphoryl-vinyl]acetamide","","CC(=O)NC(=CC1=CN(C2=CC=CC=C21)C(=O)C)P(=O)(OC)OC","UWRXRAKZCFIVBJ-CXUHLZMHSA-N","5468401",NA,"PDBC34637","669638","Present"
-"Dimethyl 1-(dimethylcarbamothioyl)-6-methoxy-1H-isothiochromene-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1-(dimethylcarbamothioyl)-6-methoxy-1H-isothiochromene-3,4-dicarboxylate","","CN(C)C(=S)C1C2=C(C=C(C=C2)OC)C(=C(S1)C(=O)OC)C(=O)OC","DEKUESWYQJAQCF-UHFFFAOYSA-N","395135",NA,"PDBC34638","699426","Present"
-"Dimethyl 1-[(Z)-[[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-(4-methylphenyl)methylidene]amino]-2-(4-methylphenyl)pyrrole-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1-[(Z)-[[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-(4-methylphenyl)methylidene]amino]-2-(4-methylphenyl)pyrrole-3,4-dicarboxylate","","CC1=CC=C(C=C1)C2=C(C(=CN2N=C(C3=CC=C(C=C3)C)SC(=CC(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC","USLIIUZNBRDMEM-HXDMXOOOSA-N","9572290",NA,"PDBC34639","710336","Present"
-"Dimethyl 1-[diethoxyphosphoryl-(2,2,2-trichloroethoxycarbonylamino)methyl]triazole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1-[diethoxyphosphoryl-(2,2,2-trichloroethoxycarbonylamino)methyl]triazole-4,5-dicarboxylate","","CCOP(=O)(C(NC(=O)OCC(Cl)(Cl)Cl)N1C(=C(N=N1)C(=O)OC)C(=O)OC)OCC","PQUNNRWLKHHTOD-UHFFFAOYSA-N","385634",NA,"PDBC34640","676980","Present"
-"Dimethyl 1-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydro-2,3-naphthalenedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydro-2,3-naphthalenedicarboxylate","","COC1=C2CC(C(C(C2=C(C=C1)OC)O)C(=O)OC)C(=O)OC","RWZOQXAXPWATJV-UHFFFAOYSA-N","383756",NA,"PDBC34641","672198","Present"
-"Dimethyl 1-methyl-1-((((trifluoromethyl)amino)carbonyl)amino)ethylphosphonate","","","","","","","","","","","","","","","","","","","","1-(1-Dimethoxyphosphoryl-1-methyl-ethyl)-3-(trifluoromethyl)urea","","CC(C)(NC(=O)NC(F)(F)F)P(=O)(OC)OC","KUYCOGUZUZBLSB-UHFFFAOYSA-N","382487",NA,"PDBC34642","670093","Present"
-"Dimethyl 1-methyl-3-oxo-7-oxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]-5-ene-5,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1-methyl-5-oxospiro[7-oxabicyclo[2.2.1]hept-2-ene-6,1'-cyclopropane]-2,3-dicarboxylate","","CC12C(=C(C(O1)C(=O)C23CC3)C(=O)OC)C(=O)OC","FCSWUOPCGHYPLE-UHFFFAOYSA-N","361151",NA,"PDBC34643","623983","Present"
-"Dimethyl 1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate","","CC12CCC(=O)C(O1)C(=C2C(=O)OC)C(=O)OC","WSAZVAMDOGNEAV-UHFFFAOYSA-N","379169",NA,"PDBC34644","663581","Present"
-"Dimethyl 10-(benzenesulfonyl)-16-oxo-10-azatetracyclo[11.2.1.03,11.04,9]hexadeca-3(11),4,6,8-tetraene-1,13-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 10-(benzenesulfonyl)-16-oxo-10-azatetracyclo[11.2.1.03,11.04,9]hexadeca-3(11),4,6,8-tetraene-1,13-dicarboxylate","","COC(=O)C12CCC(C1=O)(CC3=C(C2)C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C(=O)OC","HXWVIOWWKCGNNQ-UHFFFAOYSA-N","393786",NA,"PDBC34645","696474","Present"
-"Dimethyl 11-methyl-1,4-dioxo-4,11-dihydro-1H-benzo[a]carbazole-5,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 11-methyl-1,4-dioxo-4,11-dihydro-1H-benzo[a]carbazole-5,6-dicarboxylate","","CN1C2=CC=CC=C2C3=C(C(=C4C(=O)C=CC(=O)C4=C31)C(=O)OC)C(=O)OC","XNNCTFKEVJTDGD-UHFFFAOYSA-N","378586",NA,"PDBC34646","661226","Present"
-"Dimethyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate","","COC(=O)C1=C(C2(C3=CC=CC=C3C(=O)C1N2C4CCCCC4)C5=CC=CC=C5)C(=O)OC","VXLDKAIUAGICGO-UHFFFAOYSA-N","394469",NA,"PDBC34647","697942","Present"
-"Dimethyl 15-(hydroxymethyl)-2-methyl-5,17-diazapentacyclo[9.5.2.02,10.03,8.012,16]octadeca-3(8),4,6,14,17-pentaene-7,11-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 15-(hydroxymethyl)-2-methyl-5,17-diazapentacyclo[9.5.2.02,10.03,8.012,16]octadeca-3(8),4,6,14,17-pentaene-7,11-dicarboxylate","","CC12C(CC3=C1C=NC=C3C(=O)OC)C4(C=NC2C5C4CC=C5CO)C(=O)OC","RPTBJMRJQJWKHK-UHFFFAOYSA-N","386718",NA,"PDBC34648","679258","Present"
-"Dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate","","COC(=O)C1=C(C2C3=CC4=CC=CC=C4C=C3C1O2)C(=O)OC","RRCFMWLKXOAGCC-UHFFFAOYSA-N","341502",NA,"PDBC34649","373814","Present"
-"Dimethyl 1H,3H-thieno[3,4-c]thiophene-4,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","1H,3H-Thieno[3,4-c]thiophene-4,6-dicarboxylic acid, dime...","","COC(=O)C1=C2CSCC2=C(S1)C(=O)OC","HDPQZNXRHZRHPB-UHFFFAOYSA-N","363041",NA,"PDBC34650","627585","Present"
-"Dimethyl 1H,3H-thieno[3,4-c]thiophene-4,6-dicarboxylate 2-oxide","","","","","","","","","","","","","","","","","","","","Dimethyl 1H,3H-thieno[3,4-c]thiophene-4,6-dicarboxylate 2-oxide","","COC(=O)C1=C2CS(=O)CC2=C(S1)C(=O)OC","UJGOGBRRIDWAAE-UHFFFAOYSA-N","363040",NA,"PDBC34651","627584","Present"
-"Dimethyl 2,10-bis(3-imino-5-oxo-2H-imidazo[2,1-c][1,2,4]triazol-6-yl)undecanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2,10-bis(3-amino-5-oxo-5h-imidazo[2,1-c][1,2,4]triazol-6-yl)undecanedioate","","COC(=O)C(CCCCCCCC(C1=C(N2C(=N)N=NC2=N1)O)C(=O)OC)C3=C(N4C(=N)N=NC4=N3)O","AZYAGTVTUPXTHF-UHFFFAOYSA-N","135503466",NA,"PDBC34652","636365","Present"
-"Dimethyl 2,11-bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2,11-bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate","","COC(=O)C(C#CCCCCC#CC(C(=O)OC)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","KEYPNBNTAABJBW-UHFFFAOYSA-N","371338",NA,"PDBC34653","645527","Present"
-"Dimethyl 2,11-diphenyldipyrrolo[1,2-a:2,1-c]quinoxaline-3,10-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene-3,10-dicarboxylate","","COC(=O)C1=C(C=C2N1C3=CC=CC=C3N4C2=CC(=C4C(=O)OC)C5=CC=CC=C5)C6=CC=CC=C6","BFFOXZBJILCARI-UHFFFAOYSA-N","370157",NA,"PDBC34654","642895","Present"
-"Dimethyl 2,2,2-trifluoro-1-phenyl-1-((trifluoroacetyl)amino)ethylphosphonate","","","","","","","","","","","","","","","","","","","","Dimethyl 2,2,2-trifluoro-1-phenyl-1-((trifluoroacetyl)amino)ethylphosphonate","","COP(=O)(C(C1=CC=CC=C1)(C(F)(F)F)NC(=O)C(F)(F)F)OC","VAPHZVWKFRQWHC-UHFFFAOYSA-N","374222",NA,"PDBC34655","651711","Present"
-"Dimethyl 2,2-bis(2-cyanoethyl)malonate","","","","","","","","","","","","","","","","","","","","STK679771","","COC(=O)C(CCC#N)(CCC#N)C(=O)OC","UALIRWVABCZAEH-UHFFFAOYSA-N","373772",NA,"PDBC34656","650735","Present"
-"Dimethyl 2,3-di(1H-indazol-3-yl)succinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2,3-di(1H-indazol-3-yl)succinate","","COC(=O)C(C1=C2C=CC=CC2=NN1)C(C3=C4C=CC=CC4=NN3)C(=O)OC","RFOAQAFAYCWQCW-UHFFFAOYSA-N","363335",NA,"PDBC34657","628192","Present"
-"Dimethyl 2,3-dimethoxy-7-oxo-7H-benzo[a]cycloheptene-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2,3-dimethoxy-7-oxo-7H-benzo[a]cycloheptene-6,8-dicarboxylate","","COC1=C(C=C2C=C(C(=O)C(=CC2=C1)C(=O)OC)C(=O)OC)OC","GNEJXCXDHOZNPA-UHFFFAOYSA-N","373413",NA,"PDBC34658","649668","Present"
-"Dimethyl 2,6-bis(3-(2-adamantylamino)-2,3-dioxopropyl)-3,5-pyridinedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2,6-bis(3-(2-adamantylamino)-2,3-dioxopropyl)-3,5-pyridinedicarboxylate","","COC(=O)C1=CC(=C(N=C1CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)CC(=O)C(=O)NC5C6CC7CC(C6)CC5C7)C(=O)OC","HQYGAVJIPOCBLI-UHFFFAOYSA-N","369229",NA,"PDBC34659","640957","Present"
-"Dimethyl 2,6-dimethyl-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2,6-dimethyl-4-(5-nitroimidazo[2,1-b]thiazol-6-yl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(N3C=CSC3=N2)[N+](=O)[O-])C(=O)OC","BFSNUBUISVVEOR-UHFFFAOYSA-N","396457",NA,"PDBC34660","702430","Present"
-"Dimethyl 2,6-dioxo-1-oxaspiro[4.6]undec-3-ene-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2,6-dioxo-1-oxaspiro[4.6]undec-3-ene-3,4-dicarboxylate","","COC(=O)C1=C(C2(CCCCCC2=O)OC1=O)C(=O)OC","WBGSAQJXPDKAJV-UHFFFAOYSA-N","364664",NA,"PDBC34661","631260","Present"
-"Dimethyl 2,7-bis((diisopropylamino)carbonyl)-1,4-cubanedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2,7-bis((diisopropylamino)carbonyl)-1,4-cubanedicarboxylate","","CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C2C3(C45C(=O)N(C(C)C)C(C)C)C(=O)OC)C(=O)OC","VROYESPOQMBPCW-UHFFFAOYSA-N","369217",NA,"PDBC34662","640923","Present"
-"Dimethyl 2-(((2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl)methyl)sulfinyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methylsulfinyl]bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate","","CC1(C2CCC1(C(C2)O)CS(=O)C3(C4CC(C3C(=O)OC)C=C4)C(=O)OC)C","FBHFCDGJTNUPAA-UHFFFAOYSA-N","370377",NA,"PDBC34663","643443","Present"
-"Dimethyl 2-((1-piperidinylcarbothioyl)imino)-1,3-dithiole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-((1-piperidinylcarbothioyl)imino)-1,3-dithiole-4,5-dicarboxylate","","COC(=O)C1=C(SC(=NC(=S)N2CCCCC2)S1)C(=O)OC","MUXJVWAXUQQCOV-UHFFFAOYSA-N","360472",NA,"PDBC34664","622604","Present"
-"Dimethyl 2-((2,6-dichloro-4-(hydroxy(oxido)amino)anilino)(oxo)acetyl)-3-oxosuccinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-{[(2,6-dichloro-4-nitrophenyl)amino](oxo)acetyl}-3-oxobutanedioate","","COC(=O)C(C(=O)C(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl)C(=O)C(=O)OC","DADXGQMAOSSLEK-UHFFFAOYSA-N","372932",NA,"PDBC34665","648644","Present"
-"Dimethyl 2-((2,6-dimethylanilino)(oxo)acetyl)-3-oxosuccinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-((2,6-dimethylanilino)(oxo)acetyl)-3-oxosuccinate","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C(=O)C(=O)OC)C(=O)OC","UTWUDAUHLXBRDJ-UHFFFAOYSA-N","369848",NA,"PDBC34666","642045","Present"
-"Dimethyl 2-((2-((2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoyl)amino)-3-(4-((5-oxohexanoyl)amino)phenyl)propanoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[2-[[5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-[4-(5-oxohexanoylamino)phenyl]propanoyl]amino]pentanedioate","","CC(=O)CCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)OC)C(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)OC(C)(C)C","NKDJEBGWRVDILU-UHFFFAOYSA-N","382201",NA,"PDBC34667","669661","Present"
-"Dimethyl 2-((2-((2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoyl)amino)-3-(4-(hydroxy(oxido)amino)phenyl)propanoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[2-[[5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]pentanedioate","","CC(C)(C)OC(=O)NC(CCC(=O)OC)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCC(=O)OC)C(=O)OC","BALNNQJLIWSZRW-UHFFFAOYSA-N","382204",NA,"PDBC34668","669664","Present"
-"Dimethyl 2-((2-(aminocarbonyl)anilino)(oxo)acetyl)-3-oxosuccinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-((2-(aminocarbonyl)anilino)(oxo)acetyl)-3-oxosuccinate","","COC(=O)C(C(=O)C(=O)NC1=CC=CC=C1C(=O)N)C(=O)C(=O)OC","NZDBOPVVNCJSDC-UHFFFAOYSA-N","372929",NA,"PDBC34669","648641","Present"
-"Dimethyl 2-((5-(hydroxy(oxido)amino)-2-methylanilino)(oxo)acetyl)-3-oxosuccinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-{[(2-methyl-5-nitrophenyl)amino](oxo)acetyl}-3-oxobutanedioate","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)C(C(=O)C(=O)OC)C(=O)OC","NEWZCRLXURYSLJ-UHFFFAOYSA-N","369556",NA,"PDBC34670","641420","Present"
-"Dimethyl 2-((aminocarbothioyl)hydrazono)-3-(oxo(4-toluidino)acetyl)succinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-((aminocarbothioyl)hydrazono)-3-(oxo(4-toluidino)acetyl)succinate","","CC1=CC=C(C=C1)NC(=O)C(=O)C(C(=NNC(=S)N)C(=O)OC)C(=O)OC","PPTHZKAVQOQLDA-ODLFYWEKSA-N","9554728",NA,"PDBC34671","642039","Present"
-"Dimethyl 2-((hydrazinocarbothioyl)hydrazono)-3-(oxo(3-(trifluoromethyl)anilino)acetyl)succinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-((hydrazinocarbothioyl)hydrazono)-3-(oxo(3-(trifluoromethyl)anilino)acetyl)succinate","","COC(=O)C(C(=NNC(=S)NN)C(=O)OC)C(=O)C(=O)NC1=CC=CC(=C1)C(F)(F)F","CKXCWLMEONDJCR-RMORIDSASA-N","9571361",NA,"PDBC34672","648617","Present"
-"Dimethyl 2-(1,2,3-tribromo-3-phenylpropyl)propanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl(1,2,3-tribromo-3-phenylpropyl)propanedioate","","COC(=O)C(C(C(C(C1=CC=CC=C1)Br)Br)Br)C(=O)OC","BNZPJJVZKBTFON-UHFFFAOYSA-N","278350",NA,"PDBC34673","127878","Present"
-"Dimethyl 2-(1,2-dimethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinolin-7-yl)-2-butenedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(1,2-dimethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinolin-7-yl)-2-butenedioate","","CN1CCC2=CC(=C(C3=C2C1=C(C4=CC=CC=C43)C(=CC(=O)OC)C(=O)OC)OC)OC","OAKKXCBZUINRQN-LGMDPLHJSA-N","5387839",NA,"PDBC34674","628132","Present"
-"Dimethyl 2-(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)propanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)propanedioate","","COC(=O)C(C1CC(=O)C2=C(SC(=C12)Br)Br)C(=O)OC","PKVHYYOFMBUTSA-UHFFFAOYSA-N","399785",NA,"PDBC34675","710880","Present"
-"Dimethyl 2-(1-naphthyl)-5-phenyl-3,4-thiophenedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(1-naphthyl)-5-phenyl-3,4-thiophenedicarboxylate","","COC(=O)C1=C(SC(=C1C(=O)OC)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4","QFBXMAQYDZFYCR-UHFFFAOYSA-N","363067",NA,"PDBC34676","627619","Present"
-"Dimethyl 2-(2-((3-(3-acetylanilino)-2,3-dioxopropyl)sulfonyl)ethyl)malonate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(2-((3-(3-acetylanilino)-2,3-dioxopropyl)sulfonyl)ethyl)malonate","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)CS(=O)(=O)CCC(C(=O)OC)C(=O)OC","XAPAZSOEELAPEI-UHFFFAOYSA-N","369802",NA,"PDBC34677","641995","Present"
-"Dimethyl 2-(2-(2,5-dichloroanilino)-2-oxoethyl)-3-oxosuccinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(2-(2,5-dichloroanilino)-2-oxoethyl)-3-oxosuccinate","","COC(=O)C(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)C(=O)OC","OLOMZBJQFUNFBA-UHFFFAOYSA-N","364320",NA,"PDBC34678","630336","Present"
-"Dimethyl 2-(2-(2,6-dimethylanilino)-2-oxoethyl)-3-oxosuccinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(2-(2,6-dimethylanilino)-2-oxoethyl)-3-oxosuccinate","","CC1=C(C(=CC=C1)C)NC(=O)CC(C(=O)C(=O)OC)C(=O)OC","VRADPTCPNYGQOF-UHFFFAOYSA-N","366330",NA,"PDBC34679","634678","Present"
-"Dimethyl 2-(2-(2-ethoxyanilino)-2-oxoethyl)-3-oxosuccinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(2-(2-ethoxyanilino)-2-oxoethyl)-3-oxosuccinate","","CCOC1=CC=CC=C1NC(=O)CC(C(=O)C(=O)OC)C(=O)OC","CXVDXWAYJJEERK-UHFFFAOYSA-N","364314",NA,"PDBC34680","630332","Present"
-"Dimethyl 2-(2-(6-acetyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzylidene)malonate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(2-(6-acetyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzylidene)malonate","","CC(=O)C1=CC2=C(C=C1C3=C(C(=C(C=C3C=C(C(=O)OC)C(=O)OC)OC)OC)OC)OCO2","VDVNFCPTJLOSIN-UHFFFAOYSA-N","372672",NA,"PDBC34681","648205","Present"
-"Dimethyl 2-(3,4,5-trimethoxybenzyl)malonate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(3,4,5-trimethoxybenzyl)malonate","","COC1=CC(=CC(=C1OC)OC)CC(C(=O)OC)C(=O)OC","UHZPUECRIUNUCK-UHFFFAOYSA-N","372637",NA,"PDBC34682","648087","Present"
-"Dimethyl 2-(3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl)malonate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl)malonate","","COC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)OC","YQVNZFALOIPTDM-UHFFFAOYSA-N","362798",NA,"PDBC34683","627076","Present"
-"Dimethyl 2-(3-ethoxy-2-ethoxycarbonyl-2-hydroxy-3-oxo-propyl)-5-(3-formylphenyl)-5H-oxazole-4,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(3-ethoxy-2-ethoxycarbonyl-2-hydroxy-3-oxopropyl)-5-(3-formylphenyl)-5H-1,3-oxazole-4,4-dicarboxylate","","CCOC(=O)C(CC1=NC(C(O1)C2=CC=CC(=C2)C=O)(C(=O)OC)C(=O)OC)(C(=O)OCC)O","PMRXXXRWAYRGTO-UHFFFAOYSA-N","395883",NA,"PDBC34684","700978","Present"
-"Dimethyl 2-(3-methoxy-1-(methoxycarbonyl)-3-oxo-2-(tributylphosphoranylidene)propylidene)-1,3-dithiole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[1,4-dimethoxy-1,4-dioxo-3-(tributyl-lambda5-phosphanylidene)butan-2-ylidene]-1,3-dithiole-4,5-dicarboxylate","","CCCCP(=C(C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)(CCCC)CCCC","KWTOBZMTKCEYHB-UHFFFAOYSA-N","381862",NA,"PDBC34685","669032","Present"
-"Dimethyl 2-(4-(allyloxy)-3-methoxyphenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(4-(allyloxy)-3-methoxyphenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate","","COC1=C(C=CC(=C1)C2C(C(=O)CC(C2C(=O)OC)(C3=CC=CC=C3)O)C(=O)OC)OCC=C","FKUGPXAADQCKAD-UHFFFAOYSA-N","386769",NA,"PDBC34686","679448","Present"
-"Dimethyl 2-(5-formyl-2-thienyl)-5-(2-thienyl)furan-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","dimethyl 2-(5-formyl-2-thienyl)-5-(2-thienyl)furan-3,4-d...","","COC(=O)C1=C(OC(=C1C(=O)OC)C2=CC=CS2)C3=CC=CS3","NETNESZNJQSIQG-UHFFFAOYSA-N","11198849",NA,"PDBC34687","726084","Present"
-"Dimethyl 2-(5-isopropyl-3,8-dimethyl-1-azulenyl)-2-butenedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(5-isopropyl-3,8-dimethyl-1-azulenyl)-2-butenedioate","","CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C(=CC(=O)OC)C(=O)OC","XEKBMEPRVKNNFU-WQRHYEAKSA-N","5468316",NA,"PDBC34688","668420","Present"
-"Dimethyl 2-(dimethyl(phenylthio)germyl)succinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(dimethyl(phenylthio)germyl)succinate","","COC(=O)CC(C(=O)OC)[Ge](C)(C)SC1=CC=CC=C1","BCJPDPCRFUMDOA-UHFFFAOYSA-N","16683242",NA,"PDBC34689","650713","Present"
-"Dimethyl 2-(fluoromethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(fluoromethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)CF)C(=O)OC)C2=CC=CC3=C2OC4=CC=CC=C4C3=O)C(=O)OC","ZKKUXDWRQPUELU-UHFFFAOYSA-N","385014",NA,"PDBC34690","675868","Present"
-"Dimethyl 2-(phenyl(phenyldiazenyl)methylene)-1,3-dithiole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(phenyl(phenyldiazenyl)methylene)-1,3-dithiole-4,5-dicarboxylate","","COC(=O)C1=C(SC(=C(C2=CC=CC=C2)N=NC3=CC=CC=C3)S1)C(=O)OC","IMSBIQYTCFACLN-UHFFFAOYSA-N","363872",NA,"PDBC34691","629163","Present"
-"Dimethyl 2-(tert-butylhydrazono)-3-((2,5-dichloroanilino)(oxo)acetyl)succinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(tert-butylhydrazono)-3-((2,5-dichloroanilino)(oxo)acetyl)succinate","","CC(C)(C)NN=C(C(C(=O)C(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)OC)C(=O)OC","DNMHDDPDFHRGTO-XKZIYDEJSA-N","9571348",NA,"PDBC34692","646821","Present"
-"Dimethyl 2-[(1S,2S,6R,7R,8R,12S)-9,11-dioxo-10-oxa-3,5-dithiatetracyclo[5.5.1.02,6.08,12]tridecan-4-ylidene]-1,3-dithiole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[(1S,2S,6R,7R,8R,12S)-9,11-dioxo-10-oxa-3,5-dithiatetracyclo[5.5.1.02,6.08,12]tridecan-4-ylidene]-1,3-dithiole-4,5-dicarboxylate","","COC(=O)C1=C(SC(=C2SC3C4CC(C3S2)C5C4C(=O)OC5=O)S1)C(=O)OC","VBRXTPAJGSYFJK-OVNJMVFWSA-N","398031",NA,"PDBC34693","707104","Present"
-"Dimethyl 2-[(2-nitrophenyl)hydrazono]propanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[(2-nitrophenyl)hydrazono]propanedioate","","COC(=O)C(=NNC1=CC=CC=C1[N+](=O)[O-])C(=O)OC","IMKUXHWSDTWTAO-UHFFFAOYSA-N","361832",NA,"PDBC34694","625148","Present"
-"Dimethyl 2-[(2-nitrophenyl)methylidene]propanedioate","","","","","","","","","","","","","","","","","","","","nci126224","","COC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC","LKLMASCOTOBEMT-UHFFFAOYSA-N","277385",NA,"PDBC34695","126224","Present"
-"Dimethyl 2-[(carbamoylamino)methylidene]propanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate","","COC(=O)C(=CNC(=O)N)C(=O)OC","PTKRGAVEBHILFL-UHFFFAOYSA-N","353767",NA,"PDBC34696","602879","Present"
-"Dimethyl 2-[1-ethyl-6-[(4-methoxyphenyl)imino]-7-oxo-3-thioxo-6,7-dihydro-1H-thieno[2,3-b][1,4]thiazin-2(3H)-ylidene]-1,3-dithiole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","dimethyl 2-[1-ethyl-6-[(4-methoxyphenyl)imino]-7-oxo-3-t...","","CCN1C2=C(SC(=NC3=CC=C(C=C3)OC)C2=O)SC(=S)C1=C4SC(=C(S4)C(=O)OC)C(=O)OC","VJHUAWNMTPQDQZ-UHFFFAOYSA-N","60147504",NA,"PDBC34697","751392","Present"
-"Dimethyl 2-[2-(1,3-dithiolan-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene]-1,3-dithiole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-(5-(1,3-dithiolan-2-ylidene)[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-1,3-dithiole-4,5-dicarboxylate","","COC(=O)C1=C(SC(=C2SC3=C(S2)SC(=C4SCCS4)S3)S1)C(=O)OC","JKCNPPXKNHULOP-UHFFFAOYSA-N","394305",NA,"PDBC34698","697672","Present"
-"Dimethyl 2-[2-(2-aminophenoxy)-1-chloro-2-thioxoethylidene]-1,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[2-(2-aminophenoxy)-1-chloro-2-thioxoethylide...","","COC(=O)C1=C(SC(=C(C(=S)OC2=CC=CC=C2N)Cl)S1)C(=O)OC","ADHBMSBCRWBHKK-UHFFFAOYSA-N","24203713",NA,"PDBC34699","729191","Present"
-"Dimethyl 2-[2-(2-nitrophenyl)acetyl]propanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[2-(2-nitrophenyl)acetyl]propanedioate","","COC(=O)C(C(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC","UOOMDFRFBRJBEC-UHFFFAOYSA-N","372677",NA,"PDBC34700","648210","Present"
-"Dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-(2-bromoallyl)propanedioate","","","","","","","","","","","","","","","","","","","","Propanedioic acid, 2-(2-bromo-2-propenyl)-2-[2-(phenylsu...","","COC(=O)C(CC(=C)Br)(CC(=C=C)S(=O)(=O)C1=CC=CC=C1)C(=O)OC","CSMSVCUWBXKHSL-UHFFFAOYSA-N","394473",NA,"PDBC34701","697946","Present"
-"Dimethyl 2-[4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]but-2-ynylidene]-1,3-dithiole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","1,4-Bis[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-2-butyne","","COC(=O)C1=C(SC(=CC#CC=C2SC(=C(S2)C(=O)OC)C(=O)OC)S1)C(=O)OC","AXGZNBYSMRUWAA-UHFFFAOYSA-N","373752",NA,"PDBC34702","650706","Present"
-"Dimethyl 2-[[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate","","CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=NC=CS1","WTYFQCKQWGBDMD-LZYBPNLTSA-N","5896716",NA,"PDBC34703","645632","Present"
-"Dimethyl 2-[[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate","","CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=CC=CN1","AOSZQLJTMSPVJX-RQZCQDPDSA-N","135499228",NA,"PDBC34704","645631","Present"
-"Dimethyl 2-[[(E)-1-(furan-2-yl)ethylideneamino]carbamothioylamino]pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[(E)-1-(furan-2-yl)ethylideneamino]carbamothioylamino]pentanedioate","","CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=CC=CO1","DJLZZCYRLNDSGS-CXUHLZMHSA-N","9571688",NA,"PDBC34705","645629","Present"
-"Dimethyl 2-[[(E)-1-pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[(E)-1-pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioate","","CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=NC=CN=C1","NJQBUVLSYIKCIY-GIJQJNRQSA-N","9571684",NA,"PDBC34706","645625","Present"
-"Dimethyl 2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioate","","CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=CC=CC=N1","LYXQTZMJTROGIT-VCHYOVAHSA-N","9571681",NA,"PDBC34707","645622","Present"
-"Dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate","","CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=NC2=CC=CC=C2N=C1","NYHJGTUKUXZASS-SSDVNMTOSA-N","9571690",NA,"PDBC34708","645633","Present"
-"Dimethyl 2-[[(E)-1-thiophen-2-ylethylideneamino]carbamothioylamino]pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[(E)-1-thiophen-2-ylethylideneamino]carbamothioylamino]pentanedioate","","CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=CC=CS1","WWHDSKBBUBZSKB-CXUHLZMHSA-N","9571686",NA,"PDBC34709","645627","Present"
-"Dimethyl 2-[[(E)-furan-2-ylmethylideneamino]carbamothioylamino]pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[(E)-furan-2-ylmethylideneamino]carbamothioylamino]pentanedioate","","COC(=O)CCC(C(=O)OC)NC(=S)NN=CC1=CC=CO1","DIYAVNQOEMXQKA-RIYZIHGNSA-N","9571689",NA,"PDBC34710","645630","Present"
-"Dimethyl 2-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]pentanedioate","","COC(=O)CCC(C(=O)OC)NC(=S)NN=CC1=CC=CC=N1","RVCVXSUDGVTZLV-CXUHLZMHSA-N","9571683",NA,"PDBC34711","645624","Present"
-"Dimethyl 2-[[(E)-thiophen-2-ylmethylideneamino]carbamothioylamino]pentanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[(E)-thiophen-2-ylmethylideneamino]carbamothioylamino]pentanedioate","","COC(=O)CCC(C(=O)OC)NC(=S)NN=CC1=CC=CS1","JLANBHZGUSADRO-RIYZIHGNSA-N","9571687",NA,"PDBC34712","645628","Present"
-"Dimethyl 2-[[3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]phenyl]methylene]propanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-[[3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]phenyl]methylidene]propanedioate","","CC1(OCCS1)C2=CC3=C(C=C2C4=C(C(=C(C=C4C=C(C(=O)OC)C(=O)OC)OC)OC)OC)OCO3","IEWNSBIWRVXBKO-UHFFFAOYSA-N","372674",NA,"PDBC34713","648207","Present"
-"Dimethyl 2-amino-5-benzoyl-4,6-pyrimidinedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-amino-5-benzoyl-4,6-pyrimidinedicarboxylate","","COC(=O)C1=C(C(=NC(=N1)N)C(=O)OC)C(=O)C2=CC=CC=C2","IDDFEEIHRLDXKA-UHFFFAOYSA-N","340505",NA,"PDBC34714","371133","Present"
-"Dimethyl 2-benzhydryl-5-chloro-1-phenyl-1H-pyrrole-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-benzhydryl-5-chloro-1-phenyl-1H-pyrrole-3,4-dicarboxylate","","COC(=O)C1=C(N(C(=C1C(=O)OC)Cl)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4","OQNCVIDWLIYWGA-UHFFFAOYSA-N","378698",NA,"PDBC34715","661750","Present"
-"Dimethyl 2-benzyl-2-hydroperoxy-5-oxo-furan-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-benzyl-2-hydroperoxy-5-oxo-furan-3,4-dicarboxylate","","COC(=O)C1=C(C(OC1=O)(CC2=CC=CC=C2)OO)C(=O)OC","AXULXPISEVVHIP-UHFFFAOYSA-N","391993",NA,"PDBC34716","691782","Present"
-"Dimethyl 2-cyano-5-(3-thienyl)-1H-pyrrole-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-cyano-5-thiophen-3-yl-1H-pyrrole-3,4-dicarboxylate","","COC(=O)C1=C(NC(=C1C(=O)OC)C2=CSC=C2)C#N","DDYKQIJXUMZZBT-UHFFFAOYSA-N","388560",NA,"PDBC34717","683563","Present"
-"Dimethyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3,4-dicarboxylate","","COC(=O)C1=C(C(OC1=O)(C2=CC=CC=C2)OO)C(=O)OC","BQAOTJGYUSQOPU-UHFFFAOYSA-N","391992",NA,"PDBC34718","691781","Present"
-"Dimethyl 2-methoxy-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate","","","","","","","","","","","","","","","","","","","","Benz[a]anthracene-6,6-dicarboxylic acid, 5,6,7,12- tetra...","","COC1=CC2=C(CC(C3=C2C(=O)C4=CC=CC=C4C3=O)(C(=O)OC)C(=O)OC)C=C1","TUQXULFWBAPRNE-UHFFFAOYSA-N","386499",NA,"PDBC34719","678869","Present"
-"Dimethyl 2-methyl-5-(2-pyridyl)-5H-oxazole-4,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-methyl-5-(2-pyridyl)-5H-oxazole-4,4-dicarboxylate","","CC1=NC(C(O1)C2=CC=CC=N2)(C(=O)OC)C(=O)OC","DARPEOJHBGJNMS-UHFFFAOYSA-N","395880",NA,"PDBC34720","700975","Present"
-"Dimethyl 2-methyl-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-methyl-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate","","CC1=CC2=C(CC(C3=C2C(=O)C4=CC=CC=C4C3=O)(C(=O)OC)C(=O)OC)C=C1","HTFWVGJGXBDMIG-UHFFFAOYSA-N","386498",NA,"PDBC34721","678868","Present"
-"Dimethyl 2-methylsulfanyl-6-[(3,4,5-triacetoxytetrahydropyran-2-yl)amino]pyridine-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-methylsulfanyl-6-[(3,4,5-triacetoxytetrahydropyran-2-yl)amino]pyridine-3,4-dicarboxylate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=NC(=C(C(=C2)C(=O)OC)C(=O)OC)SC","LFDCNQOCCUHHLV-UHFFFAOYSA-N","393149",NA,"PDBC34722","694561","Present"
-"Dimethyl 2-oxo-3-(2-oxo-2-(3-(trifluoromethyl)anilino)ethyl)succinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-oxo-3-(2-oxo-2-(3-(trifluoromethyl)anilino)ethyl)succinate","","COC(=O)C(CC(=O)NC1=CC=CC(=C1)C(F)(F)F)C(=O)C(=O)OC","LNVMKHISVRWPDN-UHFFFAOYSA-N","366765",NA,"PDBC34723","635538","Present"
-"Dimethyl 2-oxo-3-(2-oxo-2-(4-toluidino)ethyl)succinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-oxo-3-(2-oxo-2-(4-toluidino)ethyl)succinate","","CC1=CC=C(C=C1)NC(=O)CC(C(=O)C(=O)OC)C(=O)OC","CSUTXOGXZHIYAN-UHFFFAOYSA-N","366311",NA,"PDBC34724","634661","Present"
-"Dimethyl 2-oxo-3-(oxo(2,4,5-trichloroanilino)acetyl)succinate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-oxo-3-(oxo(2,4,5-trichloroanilino)acetyl)succinate","","COC(=O)C(C(=O)C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl)C(=O)C(=O)OC","IJXQZKAYUMPPCR-UHFFFAOYSA-N","369796",NA,"PDBC34725","641989","Present"
-"Dimethyl 2-oxoglutarate","","","","","","","","","","","","","","","","","","","","dimethyl 2-oxoglutarate","","COC(=O)CCC(=O)C(=O)OC","TXIXSLPEABAEHP-UHFFFAOYSA-N","25775",NA,"PDBC34726","783840","Present"
-"Dimethyl 2-oxohexahydrocyclopropa[cd]pentalene-2a,4b-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-oxohexahydrocyclopropa[cd]pentalene-2a,4b-dicarboxylate","","COC(=O)C12C3CCC1C2(C(=O)C3)C(=O)OC","GEVGDEQNKZETAZ-UHFFFAOYSA-N","390955",NA,"PDBC34727","689208","Present"
-"Dimethyl 2-{1-chloro-2-[(2-hydroxyphenyl)amino]-2-thioxoethylidene}-1,3-dithiole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-{1-chloro-2-[(2-hydroxyphenyl)amino]-2-thioxo...","","COC(=O)C1=C(SC(=C(C(=S)NC2=CC=CC=C2O)Cl)S1)C(=O)OC","VRYGXZUVQGDWAL-UHFFFAOYSA-N","16766542",NA,"PDBC34728","729189","Present"
-"Dimethyl 2-{2-[(2-aminophenyl)thio]-1-chloro-2-thioxoethylidene}-1,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2-{2-[(2-aminophenyl)thio]-1-chloro-2-thioxoeth...","","COC(=O)C1=C(SC(=C(C(=S)SC2=CC=CC=C2N)Cl)S1)C(=O)OC","KFXUBNKSUGHRQA-UHFFFAOYSA-N","24203712",NA,"PDBC34729","729190","Present"
-"Dimethyl 2a-(acetyloxy)-2a,10b-dihydrocyclobuta[l]phenanthrene-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2a-(acetyloxy)-2a,10b-dihydrocyclobuta[l]phenanthrene-1,2-dicarboxylate","","CC(=O)OC12C(C3=CC=CC=C3C4=CC=CC=C41)C(=C2C(=O)OC)C(=O)OC","BIMCFBABWXWLHN-UHFFFAOYSA-N","372337",NA,"PDBC34730","647395","Present"
-"Dimethyl 2a-methoxy-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 2a-methoxy-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylate","","COC(=O)C1C2C3=CC=CC=C3C4=CC=CC=C4C2(C1C(=O)OC)OC","ZDVHMVKSKBNABO-UHFFFAOYSA-N","372341",NA,"PDBC34731","647399","Present"
-"Dimethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate","","COC(=O)C1=CSC2=C(C13SC=C(S3)C(=O)OC)SSC2=O","DFVGJIKOCFXRMT-UHFFFAOYSA-N","399526",NA,"PDBC34732","710390","Present"
-"Dimethyl 3'-phenyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3'-phenyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate","","COC(=O)C1=CSC2=C(C13SC=C(S3)C(=O)OC)SSC2=NC4=CC=CC=C4","NLZMBMAUCGMDRW-UHFFFAOYSA-N","403967",NA,"PDBC34733","719738","Present"
-"Dimethyl 3,4,5,6-tetrakis(2-trimethylsilylethynyl)benzene-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3,4,5,6-tetrakis(2-trimethylsilylethynyl)benzene-1,2-dicarboxylate","","COC(=O)C1=C(C(=C(C(=C1C(=O)OC)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C","GISYLYRNDZTZBO-UHFFFAOYSA-N","393458",NA,"PDBC34734","695366","Present"
-"Dimethyl 3,4,5,6-tetramethyl-12-oxo-11-oxa-12lambda4-thiatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-9,10-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3,4,5,6-tetramethyl-12-oxo-11-oxa-12lambda4-thiatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-9,10-dicarboxylate","","CC1=C(C2(C3C(C1(S2=O)C)C4C(=C(C3O4)C(=O)OC)C(=O)OC)C)C","GDDJJQVNSNXFHN-UHFFFAOYSA-N","394217",NA,"PDBC34735","697504","Present"
-"Dimethyl 3,4-dichlorotricyclo[4.2.2.0~2,5~]deca-3,7,9-triene-7,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3,4-dichlorotricyclo[4.2.2.0~2,5~]deca-3,7,9-triene-7,8-dicarboxylate","","COC(=O)C1=C(C2C=CC1C3C2C(=C3Cl)Cl)C(=O)OC","NBFRZMUPVAPSFP-UHFFFAOYSA-N","361799",NA,"PDBC34736","625119","Present"
-"Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate","","COC(=O)N1C(=O)N(C(=O)N1C(=O)OC)C2=CC=CC=C2","CYKNMYXRNSGXHN-UHFFFAOYSA-N","392335",NA,"PDBC34737","692611","Present"
-"Dimethyl 3,8-bis(4-chlorophenyl)-1,10-dioxo-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-2,8-diene-11,12-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3,8-bis(4-chlorophenyl)-1,10-dioxo-4,7-dioxadispiro[4.0.46.25]dodeca-2,8-diene-11,12-dicarboxylate","","COC(=O)C1C(C2(C13C(=O)C=C(O3)C4=CC=C(C=C4)Cl)C(=O)C=C(O2)C5=CC=C(C=C5)Cl)C(=O)OC","FHEXWFBUXUHTOJ-UHFFFAOYSA-N","391126",NA,"PDBC34738","689823","Present"
-"Dimethyl 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","AP-006/40679673","","COC1=CC(=C(C(=C1)OC)C2=NOC(=C2C(=O)OC)C(=O)OC)OC","PNRVNTPAQMAFEY-UHFFFAOYSA-N","374543",NA,"PDBC34739","652293","Present"
-"Dimethyl 3-(3-bromo-4-methoxy-2-oxo-2H-pyran-6-yl)-1,2-indolizinedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3-(3-bromo-4-methoxy-2-oxo-2H-pyran-6-yl)-1,2-indolizinedicarboxylate","","COC1=C(C(=O)OC(=C1)C2=C(C(=C3N2C=CC=C3)C(=O)OC)C(=O)OC)Br","IKSGZDAENJMMAU-UHFFFAOYSA-N","379735",NA,"PDBC34740","664709","Present"
-"Dimethyl 3-(3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-1,2-indolizinedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3-(3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-1,2-indolizinedicarboxylate","","CC1=CC(=C2C(=O)C=CC(=O)C2=C1)C3=C(C(=C4N3C=CC=C4)C(=O)OC)C(=O)OC","WKBNZQQBIIYDKB-UHFFFAOYSA-N","379736",NA,"PDBC34741","664710","Present"
-"Dimethyl 3-(4-chlorophenyl)-9-methylcarbazole-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3-(4-chlorophenyl)-9-methyl-carbazole-1,2-dicarboxylate","","CN1C2=CC=CC=C2C3=CC(=C(C(=C31)C(=O)OC)C(=O)OC)C4=CC=C(C=C4)Cl","BQQQHOORWHHFIG-UHFFFAOYSA-N","399394",NA,"PDBC34742","710113","Present"
-"Dimethyl 3-(5-(1-hydroxy-2-(trityloxy)ethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-isoxazoledicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3-[5-(1-hydroxy-2-trityloxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazole-4,5-dicarboxylate","","CC1(OC(C(O1)C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)C5=NOC(=C5C(=O)OC)C(=O)OC)C","XMEFPKUDEBVNQA-UHFFFAOYSA-N","376102",NA,"PDBC34743","656587","Present"
-"Dimethyl 3-bromo-3-(bromomethyl)cyclopropane-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3-bromo-3-(bromomethyl)cyclopropane-1,2-dicarboxylate","","COC(=O)C1C(C1(CBr)Br)C(=O)OC","DOUBHCUUZBHXSK-UHFFFAOYSA-N","395481",NA,"PDBC34744","700122","Present"
-"Dimethyl 3-butyl-8,9-dimethyl-3,3a-dihydroimidazo[1',2':3,4]pyrimido[1,2-a]benzimidazole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-butyl-12,13-dimethyl-2,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,7,10(15),11,13-hexaene-7,8-dicarboxylate","","CCCCN1C=CN2C1C(=C(N3C2=NC4=C3C=C(C(=C4)C)C)C(=O)OC)C(=O)OC","IIIJHNJPKYLORH-UHFFFAOYSA-N","362809",NA,"PDBC34745","627123","Present"
-"Dimethyl 3-hydroxy-9,9-dimethyl-7-oxo-bicyclo[3.3.1]non-3-ene-2,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","2,4-Dicarbomethoxy-9,9-dimethylbicyclo[3.3.3]nonane-3,7-...","","CC1(C2CC(=O)CC1C(=C(C2C(=O)OC)O)C(=O)OC)C","XEJQTYPNCMSCGP-UHFFFAOYSA-N","54686209",NA,"PDBC34746","658463","Present"
-"Dimethyl 3-methyl-4-oxospiro[4.6]undec-2-ene-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 3-methyl-4-oxospiro[4.6]undec-2-ene-2,6-dicarboxylate","","CC1=C(CC2(C1=O)CCCCCC2C(=O)OC)C(=O)OC","GDMKNDQVYCCMEC-UHFFFAOYSA-N","376189",NA,"PDBC34747","656724","Present"
-"Dimethyl 4'-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]spiro[4,5,6,7-tetrahydro-1,3-benzodithiole-2,8'-thiopyrano[3,2-d][1,3]dithiine]-6',7'-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4'-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]spiro[4,5,6,7-tetrahydro-1,3-benzodithiole-2,8'-thiopyrano[3,2-d][1,3]dithiine]-6',7'-dicarboxylate","","COC(=O)C1=C(SC2=C(C13SC4=C(S3)CCCC4)SCSC2=C5SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC","XJCLWCAVKITTNL-UHFFFAOYSA-N","402819",NA,"PDBC34748","717070","Present"
-"Dimethyl 4,5-dihydro-1H-pyrazole-4,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4,5-dihydro-1H-pyrazole-4,5-dicarboxylate","","COC(=O)C1C=NNC1C(=O)OC","NTPCABROFYITJE-UHFFFAOYSA-N","361727",NA,"PDBC34749","624969","Present"
-"Dimethyl 4,6-bis(tert-butylimino)thieno[2,3-c]thiophene-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4,6-bis(tert-butylimino)thieno[2,3-c]thiophene-2,3-dicarboxylate","","CC(C)(C)N=C1C2=C(C(=NC(C)(C)C)S1)SC(=C2C(=O)OC)C(=O)OC","DTDBLPNPRSPFBC-UHFFFAOYSA-N","402821",NA,"PDBC34750","717072","Present"
-"Dimethyl 4,6-bis[(4-methoxyphenyl)imino]thieno[2,3-c]thiophene-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl(4z,6z)-4,6-bis[(4-methoxyphenyl)imino]thieno[4,5-c]thiophene-2,3-dicarboxylate","","COC1=CC=C(C=C1)N=C2C3=C(C(=NC4=CC=C(C=C4)OC)S2)SC(=C3C(=O)OC)C(=O)OC","JCKAORPAQRCQAA-UHFFFAOYSA-N","399529",NA,"PDBC34751","710393","Present"
-"Dimethyl 4,6-indanedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4,6-indanedicarboxylate","","COC(=O)C1=CC2=C(CCC2)C(=C1)C(=O)OC","CPAXYJIOFMNLBW-UHFFFAOYSA-N","382786",NA,"PDBC34752","670464","Present"
-"Dimethyl 4-(2,3-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-(2,3-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate","","CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=C(C(=CC=C3)OC)OC)C(=O)OC","HKUFJXIUHJRNQQ-UHFFFAOYSA-N","24203417",NA,"PDBC34753","727929","Present"
-"Dimethyl 4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitro-phenyl)-6-(p-tolyl)-4h-pyridine-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitrophenyl)-6-(4-methylphenyl)-4H-pyridine-2,3-dicarboxylate","","CC1=CC=C(C=C1)C2=CC(C(=C(N2C3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)OC)C(=O)OC)C4=C(C=C(C=C4)OC)OC","PRRIZHZWKVBNTL-UHFFFAOYSA-N","392298",NA,"PDBC34754","692574","Present"
-"Dimethyl 4-(2,5-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-(2,5-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate","","CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=C(C=CC(=C3)OC)OC)C(=O)OC","VGZOPBBAWKLNJT-UHFFFAOYSA-N","24203414",NA,"PDBC34755","727926","Present"
-"Dimethyl 4-(2-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-(2-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate","","CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=CC=C3OC)C(=O)OC","ZOLCFPNFBVTSOQ-UHFFFAOYSA-N","24203416",NA,"PDBC34756","727928","Present"
-"Dimethyl 4-(3-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-(3-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate","","CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=CC=C3)OC)C(=O)OC","YIHMCFFDVLOLDW-UHFFFAOYSA-N","24203415",NA,"PDBC34757","727927","Present"
-"Dimethyl 4-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=CC(=O)C(=CC1=O)C2C(=CNC=C2C(=O)OC)C(=O)OC","UJIJDIOONPWVDL-UHFFFAOYSA-N","24203418",NA,"PDBC34758","727930","Present"
-"Dimethyl 4-(9-ethyl-9H-carbazol-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-(9-ethyl-9H-carbazol-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate","","CCN1C2=CC=CC=C2C3=C1C=C(C=C3)C4C(=C(NC(=C4C(=O)OC)C)C)C(=O)OC","ZXZAPORIQZKHCR-UHFFFAOYSA-N","376964",NA,"PDBC34759","658164","Present"
-"Dimethyl 4-[4-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-[4-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)NO)C(=O)OC","BUYFDAIASOOGAZ-UHFFFAOYSA-N","382110",NA,"PDBC34760","669503","Present"
-"Dimethyl 4-hydroxy-1,2,6-trimethyl-3,5-piperidinedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-hydroxy-1,2,6-trimethyl-3,5-piperidinedicarboxylate","","CC1C(C(C(C(N1C)C)C(=O)OC)O)C(=O)OC","BMQASILGIDNWMH-UHFFFAOYSA-N","279658",NA,"PDBC34761","130891","Present"
-"Dimethyl 4-methyl-6-(4-morpholinyl)-2-phenyl-3,5-cyclohexadiene-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-methyl-6-(4-morpholinyl)-2-phenyl-3,5-cyclohexadiene-1,3-dicarboxylate","","CC1=C(C(C(C(=C1)N2CCOCC2)C(=O)OC)C3=CC=CC=C3)C(=O)OC","LXBWUMGVJIPBIQ-UHFFFAOYSA-N","378888",NA,"PDBC34762","662297","Present"
-"Dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate","","CC12C=CC(O1)C(=C2C(=O)OC)C(=O)OC","YMLYGZRGLAHWMQ-UHFFFAOYSA-N","304499",NA,"PDBC34763","196593","Present"
-"Dimethyl 4-oxo-3-[4-oxo-4-(phenethylamino)butanoyl]heptanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl 4-oxo-3-[4-oxo-4-(phenethylamino)butanoyl]heptanedioate","","COC(=O)CCC(=O)C(CC(=O)OC)C(=O)CCC(=O)NCCC1=CC=CC=C1","ASOUBXJRQDCHHM-UHFFFAOYSA-N","364346",NA,"PDBC34764","630358","Present"
-"Dimethyl 5,6lambda4,7-trithiatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3-triene-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5,6lambda4,7-trithiatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3-triene-3,4-dicarboxylate","","COC(=O)C1=C(SS2=C1C3=C(S2)CCCC3)C(=O)OC","NPBAUDWWHFWMNR-UHFFFAOYSA-N","363025",NA,"PDBC34765","627569","Present"
-"Dimethyl 5,8-bis((2-cyano-3-methoxybenzoyl)oxy)-4-oxo-3,4-dihydro-2,2(1H)-naphthalenedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5,8-bis((2-cyano-3-methoxybenzoyl)oxy)-4-oxo-3,4-dihydro-2,2(1H)-naphthalenedicarboxylate","","COC1=CC=CC(=C1C#N)C(=O)OC2=C3CC(CC(=O)C3=C(C=C2)OC(=O)C4=C(C(=CC=C4)OC)C#N)(C(=O)OC)C(=O)OC","XJULLGFKZWUFMA-UHFFFAOYSA-N","383759",NA,"PDBC34766","672201","Present"
-"Dimethyl 5,8a-dimethyl-7-(1H-pyrrol-2-yl)-2,3,8,8a-tetrahydro-7H-[1,3]oxazolo[3,2-a]pyridine-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5,8a-dimethyl-7-(1H-pyrrol-2-yl)-2,3,7,8-tetrahydrooxazolo[3,2-a]pyridine-6,8-dicarboxylate","","CC1=C(C(C(C2(N1CCO2)C)C(=O)OC)C3=CC=CN3)C(=O)OC","WJVLFMVJYIMZOE-UHFFFAOYSA-N","375829",NA,"PDBC34767","656077","Present"
-"Dimethyl 5-(2-hydroxyphenyl)-2-methyl-1,3-oxazole-4,4(5H)-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-(2-hydroxyphenyl)-2-methyl-1,3-oxazole-4,4(5H)-dicarboxylate","","CC1=NC(C(O1)C2=CC=CC=C2O)(C(=O)OC)C(=O)OC","QLFRETBFEMZBEG-UHFFFAOYSA-N","395881",NA,"PDBC34768","700976","Present"
-"Dimethyl 5-(3-furyl)-2-methyl-5H-oxazole-4,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-(3-furyl)-2-methyl-5H-oxazole-4,4-dicarboxylate","","CC1=NC(C(O1)C2=COC=C2)(C(=O)OC)C(=O)OC","GAVZXSNXGWKFHP-UHFFFAOYSA-N","395877",NA,"PDBC34769","700972","Present"
-"Dimethyl 5-[(4,5-dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]benzene-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-[(4,5-dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]benzene-1,3-dicarboxylate","","COC(=O)C1=CC(=CC(=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O)C(=O)OC","DBBVPCPJQANEDU-UHFFFAOYSA-N","3438641",NA,"PDBC34770","127622","Present"
-"Dimethyl 5-[20-[3,5-bis(methoxycarbonyl)phenyl]-13-(4-methoxyphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-6-yl]benzene-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-[20-[3,5-bis(methoxycarbonyl)phenyl]-13-(4-methoxyphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-6-yl]benzene-1,3-dicarboxylate","","COC1=CC=C(C=C1)C2=C3CCC4=C(C3=NC5=C2CCC6=C5C=C(C=C6)C7=CC(=CC(=C7)C(=O)OC)C(=O)OC)C=C(C=C4)C8=CC(=CC(=C8)C(=O)OC)C(=O)OC","IOHYHBPVNFRPLG-UHFFFAOYSA-N","395735",NA,"PDBC34771","700535","Present"
-"Dimethyl 5-cyano-8,10-dimethyl-4-(methylthio)-10aH-pyrido[1,2-d][1,4]thiazepine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-cyano-8,10-dimethyl-4-(methylthio)-10aH-pyrido[1,2-d][1,4]thiazepine-1,2-dicarboxylate","","CC1=CC(=CN2C1C(=C(SC(=C2C#N)SC)C(=O)OC)C(=O)OC)C","DVWDYKVYNANMIK-UHFFFAOYSA-N","375061",NA,"PDBC34772","653944","Present"
-"Dimethyl 5-hydroxy-4,4,6,6-tetramethylhexahydroimidazo[1,5-b]isoxazole-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-hydroxy-4,4,6,6-tetramethylhexahydroimidazo[1,5-b]isoxazole-2,3-dicarboxylate","","CC1(C2C(C(ON2C(N1O)(C)C)C(=O)OC)C(=O)OC)C","BYNJICXHRDPBEI-UHFFFAOYSA-N","379392",NA,"PDBC34773","663934","Present"
-"Dimethyl 5-hydroxybenzo[c][2,7]naphthyridine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-hydroxybenzo[c][2,7]naphthyridine-1,2-dicarboxylate","","COC(=O)C1=C2C3=CC=CC=C3NC(=O)C2=CN=C1C(=O)OC","GKTOKONRTOOZNN-UHFFFAOYSA-N","368567",NA,"PDBC34774","639660","Present"
-"Dimethyl 5-isopropyl-2-methyl-5H-oxazole-4,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-isopropyl-2-methyl-5H-oxazole-4,4-dicarboxylate","","CC1=NC(C(O1)C(C)C)(C(=O)OC)C(=O)OC","BOWIMTYRPJKKAQ-UHFFFAOYSA-N","395878",NA,"PDBC34775","700973","Present"
-"Dimethyl 5-methoxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-methoxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate","","COC1=CC(=CC(=C1OC)OC)C2C(C(=C(C3=CC4=C(C=C23)OCO4)OC)C(=O)OC)C(=O)OC","YCRWNWSWFXIUND-UHFFFAOYSA-N","360111",NA,"PDBC34776","621965","Present"
-"Dimethyl 5-methyl-4-oxo-4,5-dihydropyrrolo[1,2-a]quinoxaline-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-methyl-4-oxo-4,5-dihydropyrrolo[1,2-a]quinoxaline-1,2-dicarboxylate","","CN1C2=CC=CC=C2N3C(=CC(=C3C(=O)OC)C(=O)OC)C1=O","HZNGLXNQDYTUPD-UHFFFAOYSA-N","370371",NA,"PDBC34777","643436","Present"
-"Dimethyl 5-oxobicyclo[2.2.2]oct-2-ene-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 5-oxobicyclo[2.2.2]oct-2-ene-2,3-dicarboxylate","","COC(=O)C1=C(C2CCC1CC2=O)C(=O)OC","GMFJSXCBEQLDGL-UHFFFAOYSA-N","390953",NA,"PDBC34778","689206","Present"
-"Dimethyl 6,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 6,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate","","CC1=CC2=C(C=C1C)N=C3C(CC(C3=N2)C(=O)OC)C(=O)OC","LRZOWGDVCRTBKL-UHFFFAOYSA-N","362270",NA,"PDBC34779","625881","Present"
-"Dimethyl 6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylate","","COC(=O)C1=C(N(C(=CC1C2=CC=CC=C2[N+](=O)[O-])C3=CC=CO3)C4=CC=NC=C4)C(=O)OC","OPHUQPBNNIDRHB-UHFFFAOYSA-N","392303",NA,"PDBC34780","692579","Present"
-"Dimethyl 6-methyl-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 6-methyl-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate","","CC1=CC2=C(C=C1)N=C3C(CC(C3=N2)C(=O)OC)C(=O)OC","OCLJDSQPMQWWNY-UHFFFAOYSA-N","362268",NA,"PDBC34781","625879","Present"
-"Dimethyl 6-nitro-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 6-nitro-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate","","COC(=O)C1CC(C2=NC3=C(C=CC(=C3)[N+](=O)[O-])N=C12)C(=O)OC","SPUHVDUAILHJNC-UHFFFAOYSA-N","362267",NA,"PDBC34782","625878","Present"
-"Dimethyl 6-oxo-1,2,5-triphenyl-1,6-dihydro-3,4-pyridinedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 6-oxo-1,2,5-triphenyl-1,6-dihydro-3,4-pyridinedicarboxylate","","COC(=O)C1=C(C(=O)N(C(=C1C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","ZGAUAHFFLCGERF-UHFFFAOYSA-N","363097",NA,"PDBC34783","627667","Present"
-"Dimethyl 6a-amino-1,6-bis(carbamoylamino)-3a-cyano-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 6a-amino-1,6-bis(carbamoylamino)-3a-cyano-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate","","CC1=C(C2(C(=C(N(C2(N1NC(=O)N)N)NC(=O)N)C)C(=O)OC)C#N)C(=O)OC","UYGNGKWQVGWPGR-UHFFFAOYSA-N","364564",NA,"PDBC34784","630984","Present"
-"Dimethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate","","CC1=C(C2(C(=C(N(C2(N1NC(=O)OC)N)NC(=O)OC)C)C(=O)OC)C#N)C(=O)OC","IBLURSXSSOWVCQ-UHFFFAOYSA-N","364565",NA,"PDBC34785","630985","Present"
-"Dimethyl 7-(3-chlorophenyl)-5,8a-dimethyl-2,3,8,8a-tetrahydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 7-(3-chlorophenyl)-5,8a-dimethyl-2,3,7,8-tetrahydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate","","CC1=C(C(C(C2(N1CCS2)C)C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)OC","HTOPLRWJQODIPS-UHFFFAOYSA-N","375831",NA,"PDBC34786","656079","Present"
-"Dimethyl 7-chloro-1,4-phenazinedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 7-chloro-1,4-phenazinedicarboxylate","","COC(=O)C1=C2C(=C(C=C1)C(=O)OC)N=C3C=C(C=CC3=N2)Cl","ZTUMVGQYJAINRG-UHFFFAOYSA-N","362252",NA,"PDBC34787","625856","Present"
-"Dimethyl 7-cyano-2-((diisopropylamino)carbonyl)-1,3-cubanedicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 7-cyano-2-((diisopropylamino)carbonyl)-1,3-cubanedicarboxylate","","CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25C(=O)OC)C#N)C(=O)OC","NVBXUBMRPKIUAW-UHFFFAOYSA-N","369208",NA,"PDBC34788","640914","Present"
-"Dimethyl 7a-[(Z)-[anilino(phenyl)methylidene]amino]-1-(4-methoxyphenyl)-3-phenyl-2,3-dihydroimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 7a-[(Z)-[anilino(phenyl)methylidene]amino]-1-(4-methoxyphenyl)-3-phenyl-2,3-dihydroimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate","","COC1=CC=C(C=C1)N2CC(N3C2(C(=C(O3)C(=O)OC)C(=O)OC)N=C(C4=CC=CC=C4)NC5=CC=CC=C5)C6=CC=CC=C6","AKRMDYZEBKADSG-UHFFFAOYSA-N","9572379",NA,"PDBC34789","713790","Present"
-"Dimethyl 8,9-dimethyl-3,4-dihydro-2H-1,5-dithionine-6,6(7H)-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 8,9-dimethyl-3,4-dihydro-2H-1,5-dithionine-6,6(7H)-dicarboxylate","","CC1=C(SCCCSC(C1)(C(=O)OC)C(=O)OC)C","VPUNJGUYMDEJTM-KTKRTIGZSA-N","3004985",NA,"PDBC34790","666410","Present"
-"Dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,9,9a-tetrahydro-2H,8H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,8,9-tetrahydro-2H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate","","CC1=C(C(C(C2(N1CCCO2)C)C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)OC","AEIJDYWCBYHIFL-UHFFFAOYSA-N","375832",NA,"PDBC34791","656080","Present"
-"Dimethyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate oxalate","","","","","","","","","","","","","","","","","","","","Dimethyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate oxalate","","CN1C2CCC1C(C(=O)C2C(=O)OC)C(=O)OC.C(=O)(C(=O)O)O","KAMIALPVWOBCRQ-UHFFFAOYSA-N","5351875",NA,"PDBC34792","72914","Present"
-"Dimethyl 9,9-dimethyl-1-oxo-1,2,5,6,7,8-hexahydro-2,4a-epoxy-6,8a-methanonaphthalene-3,4-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 12,12-dimethyl-7-oxo-11-oxatetracyclo[6.2.1.13,6.01,6]dodec-9-ene-9,10-dicarboxylate","","CC1(C2CCC13C(=O)C4C(=C(C3(C2)O4)C(=O)OC)C(=O)OC)C","NEDQAWRPFLOHDN-UHFFFAOYSA-N","373322",NA,"PDBC34793","649466","Present"
-"Dimethyl 9a-methyl-4-phenyl-3,9-dihydrocarbazole-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl 9a-methyl-4-phenyl-3,9-dihydrocarbazole-1,2-dicarboxylate","","CC12C(=C(CC(=C1C(=O)OC)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4N2","PFHWAZNEBHJABB-UHFFFAOYSA-N","367129",NA,"PDBC34794","636516","Present"
-"Dimethyl [methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]methyl phosphate","","","","","","","","","","","","","","","","","","","","Dimethyl [methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]methyl phosphate","","CC(=CCCC(=CCCC(=CCCN(C)COP(=O)(OC)OC)C)C)C","QKSZCWUMZZFAMK-YLYRKCBPSA-N","5470378",NA,"PDBC34795","700515","Present"
-"Dimethyl benzene-1,3-dicarboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Dimethyl benzene-1,3-dicarboxylate;hydrochloride","","COC(=O)C1=CC(=CC=C1)C(=O)OC.Cl","FGXSSLVOLXUMAO-UHFFFAOYSA-N","362266",NA,"PDBC34796","625877","Present"
-"Dimethyl bromo(1,2,3-tribromo-3-phenylpropyl)propanedioate","","","","","","","","","","","","","","","","","","","","Dimethyl bromo(1,2,3-tribromo-3-phenylpropyl)propanedioate","","COC(=O)C(C(C(C(C1=CC=CC=C1)Br)Br)Br)(C(=O)OC)Br","HYXIJNKPCLPKQG-UHFFFAOYSA-N","278524",NA,"PDBC34797","128206","Present"
-"Dimethyl malonate","","","","","","","","","","","","","","","","","","","","C5H8O4","","COC(=O)CC(=O)OC","BEPAFCGSDWSTEL-UHFFFAOYSA-N","7943",NA,"PDBC34798","620046","Present"
-"Dimethyl methyl(trimethylsilyl)amidophosphate","","","","","","","","","","","","","","","","","","","","N-trimethylsilyl-N-methyl-O,O-dimethylphosphorous acid","","CN([Si](C)(C)C)P(=O)(OC)OC","YDSZGRVKQXRGHU-UHFFFAOYSA-N","378144",NA,"PDBC34799","659946","Present"
-"Dimethyl pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate","","COC(=O)C1=C2C3=CC=CC=C3C=CN2N=C1C(=O)OC","NWHYHIXMTLVDAE-UHFFFAOYSA-N","392522",NA,"PDBC34800","693038","Present"
-"Dimethyl sulfone","","","","","","","","","","","","","","","","","","","","Dimethyl sulfone","","CS(=O)(=O)C","HHVIBTZHLRERCL-UHFFFAOYSA-N","6213",NA,"PDBC34801","63345","Present"
-"Dimethyl tricyclo[2.2.1.02,6]heptane-3,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dimethyl tricyclo[2.2.1.02,6]heptane-3,5-dicarboxylate","","COC(=O)C1C2CC3C1C3C2C(=O)OC","LZKJOUBNIXSMEH-UHFFFAOYSA-N","380726",NA,"PDBC34802","666433","Present"
-"Dimethyl(3,4-dimethylbenzyl)hydrazinium chloride","","","","","","","","","","","","","","","","","","","","NSC97881","","CC1=C(C=C(C=C1)C[N+](C)(C)N)C.[Cl-]","BCMYLMCSMHFKBS-UHFFFAOYSA-M","59478",NA,"PDBC34803","97881","Present"
-"Dimethyl-(2-oxo-2-phenoxathiin-2-ylethyl)sulfanium;chloride","","","","","","","","","","","","","","","","","","","","NSC691894","","C[S+](C)CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2.[Cl-]","LXOUFCHEEYBSEC-UHFFFAOYSA-M","392079",NA,"PDBC34804","691894","Present"
-"Dimethyl-(5-morpholin-4-yl-1,2,4-dithiazol-3-ylidene)azanium;bromide","","","","","","","","","","","","","","","","","","","","Dimethyl-(5-morpholin-4-yl-1,2,4-dithiazol-3-ylidene)azanium;bromide","","C[N+](=C1N=C(SS1)N2CCOCC2)C.[Br-]","ZYGNLPKIOWPLIC-UHFFFAOYSA-M","360510",NA,"PDBC34805","622647","Present"
-"Dimethyl-[5-(N-(C-methylsulfanyl-N-phenylcarbonimidoyl)anilino)-1,2,4-dithiazol-3-ylidene]azanium;perchlorate","","","","","","","","","","","","","","","","","","","","Dimethyl-[5-(N-(C-methylsulfanyl-N-phenylcarbonimidoyl)anilino)-1,2,4-dithiazol-3-ylidene]azanium;perchlorate","","C[N+](=C1N=C(SS1)N(C2=CC=CC=C2)C(=NC3=CC=CC=C3)SC)C.[O-]Cl(=O)(=O)=O","BWQGMKDQIUSEPL-UHFFFAOYSA-M","24202068",NA,"PDBC34806","622580","Present"
-"Dimethyl-[5-(N-methylanilino)-1,2,4-dithiazol-3-ylidene]azanium;iodide","","","","","","","","","","","","","","","","","","","","Dimethyl-[5-(N-methylanilino)-1,2,4-dithiazol-3-ylidene]azanium;iodide","","CN(C1=CC=CC=C1)C2=NC(=[N+](C)C)SS2.[I-]","AUPRWEGYAINPPS-UHFFFAOYSA-M","360548",NA,"PDBC34807","622681","Present"
-"Dimethyl-[5-[methyl(2-pyridin-2-ylethyl)amino]-1,2,4-dithiazol-3-ylidene]azanium;iodide;hydroiodide","","","","","","","","","","","","","","","","","","","","Dimethyl-[5-[methyl(2-pyridin-2-ylethyl)amino]-1,2,4-dithiazol-3-ylidene]azanium;iodide;hydroiodide","","CN(CCC1=CC=CC=N1)C2=NC(=[N+](C)C)SS2.I.[I-]","JVZFRVMHYKALNG-UHFFFAOYSA-M","360536",NA,"PDBC34808","622670","Present"
-"Dimethyl-dithiocarbamic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylcarbamoyl)-methyl ester","","","","","","","","","","","","","","","","","","","","[2-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] N,N-dimethylcarbamodithioate","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC(=S)N(C)C","IMKDVRMSGNKZKU-UHFFFAOYSA-N","389293",NA,"PDBC34809","685112","Present"
-"Dimethyl-phenyl-(2,2,2-trifluoroethyl)phosphanium;bromide","","","","","","","","","","","","","","","","","","","","Dimethyl-phenyl-(2,2,2-trifluoroethyl)phosphanium;bromide","","C[P+](C)(CC(F)(F)F)C1=CC=CC=C1.[Br-]","XXRIYUDOMTVABV-UHFFFAOYSA-M","357554",NA,"PDBC34810","617033","Present"
-"Dimethylallyllawsone","","","","","","","","","","","","","","","","","","","","ALLYLLAWSONE,DIMETHYL BIOTRANS. PROD","","C1=CC=C2C(=C1)C(=O)C(C2(C(=O)O)O)(CC=C(Cl)Cl)O","OOVCCRDLVFBHOI-UHFFFAOYSA-N","329285",NA,"PDBC34811","310830","Present"
-"Dimethylaminoethanethiol S-sulfate","","","","","","","","","","","","","","","","","","","","Epitope ID:167836","","CN(C)CCSS(=O)(=O)O","RRJZGRCYRQRMEO-UHFFFAOYSA-N","97248",NA,"PDBC34812","108225","Present"
-"Dimethylbis(8-quinolinolato)tin","","","","","","","","","","","","","","","","","","","","Dimethylbis(8-quinolinolato)tin","","","","",NA,"PDBC34813","162800","Present"
-"Dimethylcarbamoyloxymethyl N,N-dimethylcarbamate","","","","","","","","","","","","","","","","","","","","Methanediyl bis(dimethylcarbamate)","","CN(C)C(=O)OCOC(=O)N(C)C","QERHPSLHPVIYLU-UHFFFAOYSA-N","361531",NA,"PDBC34814","624656","Present"
-"Dimethylcurcumin","","","","","","","","","","","","","","","","","","","","1,7-bis(3, 4-dimethoxyphenyl)-1, 6-heptadiene-3,5-dione","","COC1=C(C=C(C=C1)C=CC(=CC(=O)C=CC2=CC(=C(C=C2)OC)OC)O)OC","ZMGUKFHHNQMKJI-CIOHCNBKSA-N","6477182",NA,"PDBC34815","734923","Present"
-"Dimethylditetradecylammonium chloride","","","","","","","","","","","","","","","","","","","","Ditetradecyldimethylammonium chloride","","CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]","RSHHCURRBLAGFA-UHFFFAOYSA-M","24952",NA,"PDBC34816","61373","Present"
-"Dimethyldithiocarbamate sodium salt","","","","","","","","","","","","","","","","","","","","sddc","","CN(C)C(=S)S.[Na+]","VMSRVIHUFHQIAL-UHFFFAOYSA-N","19877808",NA,"PDBC34817","85566","Present"
-"Dimethylputrescine Nitric Oxide Adduct","","","","","","","","","","","","","","","","","","","","Dimethylputrescine Nitric Oxide Adduct","","CNCCCCN(C)[N+](=NO)[O-]","MYODPENWVHJVIH-CSKARUKUSA-N","135510114",NA,"PDBC34818","634219","Present"
-"Dimethylstilbestrol","","","","","","","","","","","","","","","","","","","","NSC658943","","CC(=C(C)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O","XPINIPXARSNZDM-VAWYXSNFSA-N","3004636",NA,"PDBC34819","658943","Present"
-"Dimethylthioadenosine, iodide salt","","","","","","","","","","","","","","","","","","","","Dimethylthioadenosine, iodide salt","","C[S+](C)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[I-]","NBGFLVBQXLWHDL-UHFFFAOYSA-M","356731",NA,"PDBC34820","613660","Present"
-"Dinaline","","","","","","","","","","","","","","","","","","","","Dinaline","","C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)N","QGMGHALXLXKCBD-UHFFFAOYSA-N","42725",NA,"PDBC34821","328786","Present"
-"Dinaphtho[2,1-d:1,2-f][1,3]dithiepine 3,3-dioxide","","","","","","","","","","","","","","","","","","","","Dinaphtho[2,1-d:1,2-f][1,3]dithiepine 3,3-dioxide","","C1SC2=C(C3=CC=CC=C3C=C2)C4=C(S1(=O)=O)C=CC5=CC=CC=C54","ADYOKLQZMXCGOP-UHFFFAOYSA-N","365587",NA,"PDBC34822","633386","Present"
-"Dinoprost tromethamine","","","","","","","","","","","","","","","","","","","","Dinoprost Tromethamine","","CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O.C(C(CO)(CO)N)O","IYGXEHDCSOYNKY-RZHHZEQLSA-N","5282415",NA,"PDBC34823","196515","Present"
-"Dinoterb","","","","","","","","","","","","","","","","","","","","Dinoterb","","CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O","IIPZYDQGBIWLBU-UHFFFAOYSA-N","14994",NA,"PDBC34824","166496","Present"
-"Dioctyl-bis(2,4,6-trinitrophenoxy)stannane","","","","","","","","","","","","","","","","","","","","Dioctyl-bis(2,4,6-trinitrophenoxy)stannane","","CCCCCCCC[Sn](CCCCCCCC)(OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","KWPPWINIDAIOQA-UHFFFAOYSA-L","16683225",NA,"PDBC34825","644937","Present"
-"Dioctyl-bis(8-quinolyloxy)stannane","","","","","","","","","","","","","","","","","","","","Dioctyl-bis(8-quinolyloxy)stannane","","CCCCCCCC[Sn](CCCCCCCC)(OC1=CC=CC2=C1N=CC=C2)OC3=CC=CC4=C3N=CC=C4","DCMWINCPWQSJRT-UHFFFAOYSA-L","16683212",NA,"PDBC34826","644910","Present"
-"Diosquinone","","","","","","","","","","","","","","","","","","","","DIOSQUINONE","","CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)C3=C(C4=C(C=C3C)C(=O)C5C(C4=O)O5)O","AVBFKEHAFCGOKT-UHFFFAOYSA-N","122720",NA,"PDBC34827","342731","Present"
-"Dioxadet","","","","","","","","","","","","","","","","","","","","dioxadet","","CC1(OCC(CO1)(CO)NC2=NC(=NC(=N2)N3CC3)N4CC4)C","QKBGEGKCGLXDSG-UHFFFAOYSA-N","48858",NA,"PDBC34828","275656","Present"
-"Dioxidanium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate;cyclohexane-1,2-diamine;platinum(4+)","","","","","","","","","","","","","","","","","","","","Dioxidanium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate;cyclohexane-1,2-diamine;platinum(4+)","","C1CCC(C(C1)N)N.C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[OH3+].[OH3+].[Pt+4]","CNBFYEOIEJEWIL-UHFFFAOYSA-N","24201989",NA,"PDBC34829","615589","Present"
-"Dioxidanium;azane;cobalt(3+);bromide;nitrite","","","","","","","","","","","","","","","","","","","","Hexammine-di-.mu.-hydroxo-.mu.-nitrito(O,N)-dicobalt(III...","","N.N.N.N.N.N.N(=O)[O-].[OH3+].[OH3+].[Co+3].[Co+3].[Br-]","ACZMOAFPNHBWBZ-UHFFFAOYSA-N","54608630",NA,"PDBC34830","630637","Present"
-"Dioxidanium;azane;cobalt(3+);sulfate","","","","","","","","","","","","","","","","","","","","Tetramminediaquocobalt(III)-sulfate","","N.N.N.N.[OH3+].[OH3+].[O-]S(=O)(=O)[O-].[Co+3]","WSCWELARSLENSB-UHFFFAOYSA-N","24202179",NA,"PDBC34831","631463","Present"
-"Dioxidanium;benzeneseleninate;platinum(2+)","","","","","","","","","","","","","","","","","","","","Dioxidanium;benzeneseleninate;platinum(2+)","","C1=CC=C(C=C1)[Se](=O)[O-].C1=CC=C(C=C1)[Se](=O)[O-].[OH3+].[OH3+].[Pt+2]","JHSMOPZJQRUIPB-UHFFFAOYSA-N","24202093",NA,"PDBC34832","626669","Present"
-"Dioxo(1,3-dionato)uranium(VI)hydrate","","","","","","","","","","","","","","","","","","","","Dioxo(1,3-diphenylpropane-1,3-dionato)uranium(VI)hydrate","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.O=[U+2]=O","PGPALQCXVIMZPN-UHFFFAOYSA-N","365921",NA,"PDBC34833","634045","Present"
-"Dioxo(dioxonio)uranium;2-formyl-6-methoxyphenolate","","","","","","","","","","","","","","","","","","","","NSC638274","","COC1=CC=CC(=C1[O-])C=O.[OH2+][U](=O)(=O)[OH2+]","BUYBLGHYIZRZPN-UHFFFAOYSA-M","24202305",NA,"PDBC34834","638274","Present"
-"Dioxobis(1-phenylbutane-1,3-dionato)uranium(VI)-hydrate","","","","","","","","","","","","","","","","","","","","Dioxobis(1-phenylbutane-1,3-dionato)uranium(VI)- hydrate","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.O=[U+2]=O","LYQDVBMPYZBBSF-UHFFFAOYSA-N","366868",NA,"PDBC34835","635905","Present"
-"Dioxobis[1-(2-hydroxyphenyl-NC-azomethine)benzole-2-olato-(O1,N1)]uranium(VI)","","","","","","","","","","","","","","","","","","","","Dioxobis[1-(2-hydroxyphenyl-NC-azomethine)benzole-2-olat...","","C1=CC=C(C(=C1)[C-]=NC2=CC=CC=C2O)[O-].C1=CC=C(C(=C1)[C-]=NC2=CC=CC=C2O)[O-].O=[U]=O","JQPYMGSAJGVKTI-UHFFFAOYSA-L","54687012",NA,"PDBC34836","635904","Present"
-"Dioxobis[1-(4-sulfobenzyl-NC-azomethine)benzole-2-olato-(O1,N1)uranium(VI)-trihydrate","","","","","","","","","","","","","","","","","","","","Dioxobis[1-(4-sulfobenzyl-NC-azomethine)benzole-2-olato-...","","C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)[O-])[O-].C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)[O-])[O-].O=[U+2]=O","ACRPIKCWKQHBBW-UHFFFAOYSA-J","24202284",NA,"PDBC34837","635913","Present"
-"Dioxobis[1-(8-sulfo-naphthyl-NC-azomethine)benzole-2-olato-(O1,N1)uranium(VI)-dihydrate","","","","","","","","","","","","","","","","","","","","Dioxobis[1-(8-sulfo-naphthyl-NC-azomethine)benzole-2-ola...","","C1=CC=C(C(=C1)C=NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-])[O-].C1=CC=C(C(=C1)C=NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-])[O-].O=[U]=O","FKVXIJNGAGOYHN-UHFFFAOYSA-J","24202283",NA,"PDBC34838","635912","Present"
-"Dioxobis[4,4-trifluoro-1-phenylbutane-1,3-dionato)uranium(VI)","","","","","","","","","","","","","","","","","","","","Dioxobis[4,4,4-trifluoro-1-phenylbutane-1,3- dionato)ura...","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.O=[U+2]=O","IDSCUABYPAXEND-UHFFFAOYSA-N","366870",NA,"PDBC34839","635908","Present"
-"Dioxobis{2-[indanyl(iminomethyl)]phenolato}uranium(VI)-trihydrate","","","","","","","","","","","","","","","","","","","","Dioxobis{2-[indanyl(iminomethyl)]phenolato}uranium(VI)- ...","","C1CC2=C(C1)C=C(C=C2)N=CC3=CC=CC=C3[O-].C1CC2=C(C1)C=C(C=C2)N=CC3=CC=CC=C3[O-].O=[U+2]=O","ATFDSIILUBYIIE-UHFFFAOYSA-L","368291",NA,"PDBC34840","638836","Present"
-"Dipentamethylenethiuram disulfide","","","","","","","","","","","","","","","","","","","","dipentamethylenethiuram disulfide","","C1CCN(CC1)C(=S)SSC(=S)N2CCCCC2","KNBRWWCHBRQLNY-UHFFFAOYSA-N","7188",NA,"PDBC34841","527035","Present"
-"Diphenhydramine hydrochloride","","","","","","","","","","","","","","","","","","","","bena","","CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl","PCHPORCSPXIHLZ-UHFFFAOYSA-N","8980",NA,"PDBC34842","33299","Present"
-"Diphenolic acid","","","","","","","","","","","","","","","","","","","","dpa (van)","","CC(CCC(=O)O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O","VKOUCJUTMGHNOR-UHFFFAOYSA-N","67174",NA,"PDBC34843","34824","Present"
-"Diphenoxybis(pentane-2,4-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Diphenoxybis(pentane-2,4-dionato)titanium(IV)","","CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+4]","KNRRZMQPADPVPL-UHFFFAOYSA-L","24202323",NA,"PDBC34844","638740","Present"
-"Diphenoxyphosphoryl(phenyl)methanol","","","","","","","","","","","","","","","","","","","","Diphenoxyphosphoryl-phenyl-methanol","","C1=CC=C(C=C1)C(O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3","LGWPZWRZPMNUGB-UHFFFAOYSA-N","277714",NA,"PDBC34845","126668","Present"
-"Diphenyl 1-(((benzyloxy)carbonyl)amino)-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentylphosphonate","","","","","","","","","","","","","","","","","","","","Benzyl N-[5-(1,3-dioxoisoindolin-2-yl)-1-diphenoxyphosphoryl-pentyl]carbamate","","C1=CC=C(C=C1)COC(=O)NC(CCCCN2C(=O)C3=CC=CC=C3C2=O)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5","CNJOZTYNWQXMFA-UHFFFAOYSA-N","383343",NA,"PDBC34846","671457","Present"
-"Diphenyl(1-(phenylthio)butyl)phosphine oxide","","","","","","","","","","","","","","","","","","","","Diphenyl(1-(phenylthio)butyl)phosphine oxide","","CCCC(P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=CC=C3","GXROZKSSJBDWAY-UHFFFAOYSA-N","361772",NA,"PDBC34847","625038","Present"
-"Diphenyl(2-(phenyl(2-(phenylthio)ethyl)phosphino)ethyl)phosphine","","","","","","","","","","","","","","","","","","","","2-((2-(Diphenylphosphino)ethyl)(phenyl)phosphino)ethyl phenyl sulfide","","C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCSC4=CC=CC=C4","LFCOMJNOKDTFKR-UHFFFAOYSA-N","375753",NA,"PDBC34848","655900","Present"
-"Diphenyl(4-(phenyl(triphenylphosphoranylidene)methyl)phenyl)phosphine selenide","","","","","","","","","","","","","","","","","","","","Neuro_000413","","C1=CC=C(C=C1)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)P(=[Se])(C6=CC=CC=C6)C7=CC=CC=C7","OGCQVGNXFQKRGU-UHFFFAOYSA-N","385573",NA,"PDBC34849","676864","Present"
-"Diphenyl(pyridin-2-yl)methanol","","","","","","","","","","","","","","","","","","","","NSC10796///NSC525213","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=N3)O","IBNTYLTYDKBLRC-UHFFFAOYSA-N","223294",NA,"PDBC34850","10796///525213","Present"
-"Diphenyl(pyridin-3-yl)methanol;hydrochloride","","","","","","","","","","","","","","","","","","","","Diphenyl(pyridin-3-yl)methanol;hydrochloride","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CN=CC=C3)O.Cl","GWYDYAZGAGVQCA-UHFFFAOYSA-N","24181700",NA,"PDBC34851","10790","Present"
-"Diphenyl-2-pyridylmethane","","","","","","","","","","","","","","","","","","","","Pyridine, 2-(diphenylmethyl)- (8CI9CI)","","C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=N3","MMXYNKLYVRNTCK-UHFFFAOYSA-N","77250",NA,"PDBC34852","60653","Present"
-"Diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane","","","","","","","","","","","","","","","","","","","","Diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane","","CC(C)(C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)OCC4=CC=CC=C4","VZZKDGPXFKXDIR-UHFFFAOYSA-N","329532",NA,"PDBC34853","312825","Present"
-"Diphenyl-[[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyloxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]phosphane","","","","","","","","","","","","","","","","","","","","Diphenyl-[[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyloxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]phosphane","","CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OP(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC(=CC(=C6OP(C7=CC=CC=C7)C8=CC=CC=C8)CC9=C(C(=CC(=C9)C(C)(C)C)C2)OP(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C)C(C)(C)C)OP(C1=CC=CC=C1)C1=CC=CC=C1","VGPWSJQMGPTNOC-UHFFFAOYSA-N","16129770",NA,"PDBC34854","641108","Present"
-"Diphenyl-bis(8-quinolyloxy)stannane","","","","","","","","","","","","","","","","","","","","Diphenyl-bis(8-quinolyloxy)stannane","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6","AKJXSKGJAIBMJQ-UHFFFAOYSA-L","16683148",NA,"PDBC34855","628591","Present"
-"Diphenyl-bis(8-quinolylsulfanyl)stannane","","","","","","","","","","","","","","","","","","","","Diphenyl-bis(8-quinolylsulfanyl)stannane","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(SC3=CC=CC4=C3N=CC=C4)SC5=CC=CC6=C5N=CC=C6","QSTLOYBHYBPUMN-UHFFFAOYSA-L","9569948",NA,"PDBC34856","628592","Present"
-"Diphenyl[2-(2-pyridyl)ethoxy]borane","","","","","","","","","","","","","","","","","","","","Diphenyl[2-(2-pyridyl)ethoxy]borane","","","","",NA,"PDBC34857","667864","Present"
-"Diphenylcyclopropenone","","","","","","","","","","","","","","","","","","","Diphenylcyclopropenone","","","C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3","HCIBTBXNLVOFER-UHFFFAOYSA-N","65057",NA,"PDBC34858","","Absent"
-"Diphenyllead diacetate","","","","","","","","","","","","","","","","","","","","Diphenyllead diacetate","","CC(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C","SBXMABAVUXVYFZ-UHFFFAOYSA-L","16683784",NA,"PDBC34859","173046","Present"
-"Diphenylphosphanide;gold;dinitrate","","","","","","","","","","","","","","","","","","","","Diphenylphosphanide;gold;dinitrate","","C1=CC=C(C=C1)[P-]C2=CC=CC=C2.C1=CC=C(C=C1)[P-]C2=CC=CC=C2.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Au].[Au]","SZGGNIDDTOTLRJ-UHFFFAOYSA-N","374625",NA,"PDBC34860","652594","Present"
-"Diphenyltin","","","","","","","","","","","","","","","","","","","","Tin, diphenyl-","","C1=CC=C(C=C1)[Sn]C2=CC=CC=C2","KUCPUSUXIGWHFB-UHFFFAOYSA-N","70535",NA,"PDBC34861","162819","Present"
-"Diphenyltin dichloride","","","","","","","","","","","","","","","","","","","","wln: g-sn-gr&r","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl","ISXUHJXWYNONDI-UHFFFAOYSA-L","14342",NA,"PDBC34862","405640","Present"
-"Diphtaloylcarbazol","","","","","","","","","","","","","","","","","","","","Diphtaloylcarbazol","","C1=CC=C2C(=C1)C(=O)C3=C4C5=CC=CC=C5NC4=C6C(=C3C2=O)C(=O)C7=CC=CC=C7C6=O","NMBXERAVHQBISR-UHFFFAOYSA-N","362928",NA,"PDBC34863","627404","Present"
-"Dipivalic acid 3,3'-dibromo-5,5'-diethynylbiphenyl-2,2'-diyl ester","","","","","","","","","","","","","","","","","","","","[2-Bromo-6-[3-bromo-2-(2,2-dimethylpropanoyloxy)-5-ethynylphenyl]-4-ethynylphenyl] 2,2-dimethylpropanoate","","CC(C)(C)C(=O)OC1=C(C=C(C=C1Br)C#C)C2=C(C(=CC(=C2)C#C)Br)OC(=O)C(C)(C)C","DJIMHYNTMZVHPM-UHFFFAOYSA-N","397597",NA,"PDBC34864","705938","Present"
-"Dipodazine","","","","","","","","","","","","","","","","","","","","Dipodazine","","C1C(=O)NC(=CC2=CNC3=CC=CC=C32)C(=O)N1","QHMQUIKWOVYDKF-WZUFQYTHSA-N","5471804",NA,"PDBC34865","713792","Present"
-"Dipropyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl phosphate","","","","","","","","","","","","","","","","","","","","Dipropyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl phosphate","","CCCOP(=O)(OCCC)OC(C(F)(F)F)C(F)(F)F","LQBJYYXUWBKTGA-UHFFFAOYSA-N","383646",NA,"PDBC34866","672064","Present"
-"Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate","","","","","","","","","","","","","","","","","","","","Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate","","CCCOC(=O)CCC(C(=O)OCCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","VNKIRUGRQZDJIX-UHFFFAOYSA-N","369885",NA,"PDBC34867","642079","Present"
-"Dipropyl 3,5-bis(4-methoxyphenyl)-1,1-dioxo-1,4-thiazinane-2,6-dicarboxylate","","","","","","","","","","","","","","","","","","","","Dipropyl 3,5-bis(4-methoxyphenyl)thiomorpholine-2,6-dicarboxylate 1,1-dioxide","","CCCOC(=O)C1C(NC(C(S1(=O)=O)C(=O)OCCC)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC","BAQKNEIUYUJSDG-UHFFFAOYSA-N","368561",NA,"PDBC34868","639637","Present"
-"Direct blue 6","","","","","","","","","","","","","","","","","","","","benzo blue gs","","C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O.[Na+]","LDIDZFWGINXVSD-UHFFFAOYSA-N","135436530",NA,"PDBC34869","9614","Present"
-"Discorhabdin B","","","","","","","","","","","","","","","","","","","","Discorhabdin B","","C1CN=C2C3=C1C=NC3=C(C4=C2C56CC(N4)SC5=CC(=O)C(=C6)Br)O","UKSNLLKPYVGHFN-VOJFVSQTSA-N","135409044",NA,"PDBC34870","656203","Present"
-"Discorhabdin C . TFA","","","","","","","","","","","","","","","","","","","","Discorhabdin C . TFA","","C1CN=C2C3=C1C=NC3=C(C4=C2C5(CCN4)C=C(C(=O)C(=C5)Br)Br)O.C(=O)(C(F)(F)F)O","HMHVISPKDSNOSH-UHFFFAOYSA-N","362393",NA,"PDBC34871","626162","Present"
-"Discorhabdin C-benzene . TFA","","","","","","","","","","","","","","","","","","","","Discorhabdin C-benzene . TFA","","C1CNC2=C(C3=C1C=C(C=C3Br)Br)C4=NCCC5=C4C(=C2O)N=C5.C(=O)(C(F)(F)F)O","GKUFYLZRMQBETE-UHFFFAOYSA-N","362398",NA,"PDBC34872","626165","Present"
-"Discorhabdin C-dienol . TFA","","","","","","","","","","","","","","","","","","","","Discorhabdin C-dienol . TFA","","C1CN=C2C3=C1C=NC3=C(C4=C2C5(CCN4)C=C(C(C(=C5)Br)O)Br)O.C(=O)(C(F)(F)F)O","GPUIQJOWQMWQEH-UHFFFAOYSA-N","362400",NA,"PDBC34873","626166","Present"
-"Discorhabdin C-nitrodienone . TFA","","","","","","","","","","","","","","","","","","","","Discorhabdin C-nitrodienone . TFA","","C1CN=C2C3=C1C=NC3=C(C4=C2C5=C(C(=O)C(=CC5(CCN4)[N+](=O)[O-])Br)Br)O.C(=O)(C(F)(F)F)O","YMTLBEAQYDZXHC-UHFFFAOYSA-N","362394",NA,"PDBC34874","626163","Present"
-"Discorhabdin C-phenol . TFA","","","","","","","","","","","","","","","","","","","","Discorhabdin C-phenol . TFA","","C1CNC2=C(C3=C(C(=C(C=C31)Br)O)Br)C4=NCCC5=C4C(=C2O)N=C5.C(=O)(C(F)(F)F)O","CUSZNAYEBHLVOJ-UHFFFAOYSA-N","362396",NA,"PDBC34875","626164","Present"
-"Discorhabdin D","","","","","","","","","","","","","","","","","","","","Discorhabdin D","","C1C[N+]2=C3C4=C1C=NC4=C(C5=C3C67CC2C(=O)C=C6SC(C7)N5)O.[Cl-]","KSVAXROZYWTVFR-ZGQBZTIQSA-N","362389",NA,"PDBC34876","626160","Present"
-"Discorhabdin G","","","","","","","","","","","","","","","","","","","","Discorhabdin G","","C1CN=C2C3=C1C=NC3=C(C4=C2C56CC(N4)SC5=CC(=O)C=C6)O","SQLLOKSPNICABN-VOJFVSQTSA-N","135409045",NA,"PDBC34877","656204","Present"
-"Discorhabdin H","","","","","","","","","","","","","","","","","","","","Discorhabdin H","","CN1C=NC(=C1CC(C(=O)O)N)SC2=C3C(=O)C=C4C25CC(S4)NC6=C5C7=[N+]3CCC8=C7C(=C6O)N=C8.[Cl-]","PLMFRIQQSMGVDS-ZOSAEHQHSA-N","135499366",NA,"PDBC34878","656205","Present"
-"Discorhabdin I","","","","","","","","","","","","","","","","","","","","Discorhabdin I","","CN1C=NC(=C1CC(C(=O)O)N)SC2=CC(=O)C=C3C24CC(S3)NC5=C4C6=NCCC7=C6C(=C5O)N=C7","PMPVVBFINWSXBE-FAXBWADYSA-N","135409047",NA,"PDBC34879","656206","Present"
-"Discorine","","","","","","","","","","","","","","","","","","","","Discorine","","CC1=CC(=O)OC2(C1)CC3CCC2CN3C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","CBAQZOGSRXLCQY-UHFFFAOYSA-N","374713",NA,"PDBC34880","652899","Present"
-"Diselenide, bis(4-methylphenyl)","","","","","","","","","","","","","","","","","","","","Bis-p-tolylediselenide","","CC1=CC=C(C=C1)[Se][Se]C2=CC=C(C=C2)C","KJCNOACMRYZZFR-UHFFFAOYSA-N","365239",NA,"PDBC34881","632604","Present"
-"Disodium 2,2'-dithiobis ethane sulfonate","","","","","","","","","","","","","","","","","","","","dimesna","","C(CS(=O)(=O)O)SSCCS(=O)(=O)O.[Na+]","YHGSLPIENPJALY-UHFFFAOYSA-N","25008190",NA,"PDBC34882","716976","Present"
-"Disodium edetate","","","","","","","","","","","","","","","","","","","","edta","","C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Na+]","HLWRUJAIJJEZDL-UHFFFAOYSA-N","9839867",NA,"PDBC34883","2760","Present"
-"Disodium manganese EDTA","","","","","","","","","","","","","","","","","","","","disodium manganese edta","","C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Mn+2]","RLNASBHWIXYGAC-UHFFFAOYSA-N","5148022",NA,"PDBC34884","7345","Present"
-"Disodium phosphonoacetate monohydrate","","","","","","","","","","","","","","","","","","","","Fosfonet sodium","","C(C(=O)O)P(=O)(O)O.[Na+]","KNBQMQYQYHZXSX-UHFFFAOYSA-N","54608707",NA,"PDBC34885","138745","Present"
-"Disperse blue 1","","","","","","","","","","","","","","","","","","","","amacel blue gg","","C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N","JSFUMBWFPQSADC-UHFFFAOYSA-N","17190",NA,"PDBC34886","39936","Present"
-"Dispiro[cyclohexane-1,6'(5'H)-indolo[3,2-b]carbazole-12'(11'H),1''-cyclohexane]","","","","","","","","","","","","","","","","","","","","Dispiro[cyclohexane-1,6'(5'H)-indolo[3,2-b]carbazole-12'(11'H),1''-cyclohexane]","","C1CCC2(CC1)C3=C(C4(CCCCC4)C5=C2NC6=CC=CC=C65)NC7=CC=CC=C73","BVADGBIJIJAJEO-UHFFFAOYSA-N","373633",NA,"PDBC34887","650353","Present"
-"Dispiro[cyclopropane-1,2'(3'H)-naphthalene-3',2''-imidazolidine], 1'',3''-dimethyl-","","","","","","","","","","","","","","","","","","","","Dispiro[cyclopropane-1,2'(3'H)-naphthalene- 3',2''-imida...","","CN1CCN(C12C=C3C=CC=CC3=CC24CC4)C","GEBLDEVRXJPBQL-UHFFFAOYSA-N","362769",NA,"PDBC34888","627050","Present"
-"Distomadine A","","","","","","","","","","","","","","","","","","","","Distomadine A","","C1=CC2=NC=CC3=C2C(=C1O)C4=C(O3)C(=O)OC4CCN=C(N)N","YTJQNXMCZWEMBC-UHFFFAOYSA-N","10087738",NA,"PDBC34889","721294","Present"
-"Disulfide, bis(2-amino-4-sulfamoylphenyl)","","","","","","","","","","","","","","","","","","","","wln: zswor cz dssr bz doszw","","C1=CC(=C(C=C1S(=O)(=O)N)N)SSC2=C(C=C(C=C2)S(=O)(=O)N)N","CVACEDCBGCMVKB-UHFFFAOYSA-N","19790",NA,"PDBC34890","83217","Present"
-"Ditercalinium dimethanesulfonate dimethanesulfonate","","","","","","","","","","","","","","","","","","","","Ditercalinium dimethanesulfonate dimethanesulfonate","","COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCC(CC5)C6CCN(CC6)CC[N+]7=CC8=C(C=CC9=C8C1=C(N9)C=CC(=C1)OC)C=C7.CS(=O)(=O)O.CS(=O)(=O)O","MMJHHMWONHLFTF-UHFFFAOYSA-P","435243",NA,"PDBC34891","366241","Present"
-"Ditert-butyl (3E)-3-(2-bromoethylidene)azetidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Ditert-butyl (3E)-3-(2-bromoethylidene)azetidine-1,2-dicarboxylate","","CC(C)(C)OC(=O)C1C(=CCBr)CN1C(=O)OC(C)(C)C","JVMSWEZBQYWDKL-JXMROGBWSA-N","5468311",NA,"PDBC34892","668364","Present"
-"Ditert-butyl (3E)-3-(2-hydroxyethylidene)azetidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Ditert-butyl (3E)-3-(2-hydroxyethylidene)azetidine-1,2-dicarboxylate","","CC(C)(C)OC(=O)C1C(=CCO)CN1C(=O)OC(C)(C)C","XCBHIEPYDJILGQ-JXMROGBWSA-N","5468310",NA,"PDBC34893","668363","Present"
-"Ditert-butyl (3E)-3-ethylideneazetidine-1,2-dicarboxylate","","","","","","","","","","","","","","","","","","","","Ditert-butyl (3E)-3-ethylideneazetidine-1,2-dicarboxylate","","CC=C1CN(C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C","NVICUNQITDSULT-CSKARUKUSA-N","5468312",NA,"PDBC34894","668365","Present"
-"Ditert-butyl 2-butyl-5-[2-[4-butyl-3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]benzene-1,3-dicarboxylate","","","","","","","","","","","","","","","","","","","","Ditert-butyl 2-butyl-5-[2-[4-butyl-3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]benzene-1,3-dicarboxylate","","CCCCC1=C(C=C(C=C1C(=O)OC(C)(C)C)C#CC2=CC(=C(C(=C2)C(=O)OC(C)(C)C)CCCC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C","XRKVAFCYQGSSSB-UHFFFAOYSA-N","395730",NA,"PDBC34895","700529","Present"
-"Ditetraazolo[1,5-a:5,1-c]quinoxaline","","","","","","","","","","","","","","","","","","","","2,3,4,5,8,9,10,11-Octazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene","","C1=CC=C2C(=C1)N3C(=NN=N3)C4=NN=NN24","CXZSDEGQLBZWEC-UHFFFAOYSA-N","370487",NA,"PDBC34896","643709","Present"
-"Dithiazanine iodide","","","","","","","","","","","","","","","","","","","","dejo","","CCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]","MNQDKWZEUULFPX-UHFFFAOYSA-M","5702697",NA,"PDBC34897","221154","Present"
-"Dithieno[2,3-b:3,4-d]pyridine","","","","","","","","","","","","","","","","","","","","Dithieno[2,3-b:3,4-d]pyridine","","C1=CSC2=C1C3=CSC=C3C=N2","XHAOANVTULCZQL-UHFFFAOYSA-N","364226",NA,"PDBC34898","630077","Present"
-"Dithieno[3,4-b:3,2-d]pyridine","","","","","","","","","","","","","","","","","","","","Dithieno[3,4-b:3,2-d]pyridine","","C1=CSC2=C1C3=CSC=C3N=C2","UQSKSOKRSZRQKL-UHFFFAOYSA-N","364225",NA,"PDBC34899","630076","Present"
-"Dithieno[3,4-b:3,4-d]pyridine","","","","","","","","","","","","","","","","","","","","Dithieno[3,4-b:3,4-d]pyridine","","C1=C2C=NC3=CSC=C3C2=CS1","VNPZQSJXQLQIOC-UHFFFAOYSA-N","364227",NA,"PDBC34900","630078","Present"
-"Dithiodiglycolic acid","","","","","","","","","","","","","","","","","","","","Dithiodiacetic acid","","C(C(=O)O)SSCC(=O)O","DLLMHEDYJQACRM-UHFFFAOYSA-N","68164",NA,"PDBC34901","54088","Present"
-"Divaricatic acid","","","","","","","","","","","","","","","","","","","","Divaricatic acid","","CCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCC","FSRDIJIAQPSMMR-UHFFFAOYSA-N","371610",NA,"PDBC34902","646003","Present"
-"Divarinone","","","","","","","","","","","","","","","","","","","","Divarinone","","CC1=CC2(CCC3C(CCC3(C(C)C)O)(C(=O)C1C=C2)C)C","KRLWHAXLRGQYFO-WCDCJWDKSA-N","6712174",NA,"PDBC34903","657939","Present"
-"Dmask","","","","","","","","","","","","","","","","","","","","arnebin","","CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C","BATBOVZTQBLKIL-UHFFFAOYSA-N","32465",NA,"PDBC34904","140377","Present"
-"Dmg amino bpu","","","","","","","","","","","","","","","","","","","","DMG AMINO BPU","","CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)CN(C)C)OC3=NC=C(C=N3)Br.Cl","YMWJINDBTOCWHA-UHFFFAOYSA-N","375123",NA,"PDBC34905","654261","Present"
-"Dmjpyxzdskfgeh-uhfffaoysa-","","","","","","","","","","","","","","","","","","","","3-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]...","","COC1=CC=C(C=C1)C2N3CCN=C3NO2","DMJPYXZDSKFGEH-UHFFFAOYSA-N","11790684",NA,"PDBC34906","727196","Present"
-"Dodecanoic acid, 4-dodecanamidomethyl-2-methoxyphenyl ester","","","","","","","","","","","","","","","","","","","","LS-87642","","CCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)OC(=O)CCCCCCCCCCC)OC","LXMZJNLZSXKQCB-UHFFFAOYSA-N","379433",NA,"PDBC34907","663979","Present"
-"Dodecyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate","","","","","","","","","","","","","","","","","","","","Dodecyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate","","CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCCCCCCCC","IOHPFVHDYFNNQB-UHFFFAOYSA-N","370531",NA,"PDBC34908","643758","Present"
-"Dodecyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate","","","","","","","","","","","","","","","","","","","","Maybridge1_007421","","CCCCCCCCCCCCSC(=S)C1=C(NN(C1=O)C2=CC=CC=C2)C","HBISBQINTQUCOO-UHFFFAOYSA-N","369159",NA,"PDBC34909","640748","Present"
-"Dodecyl morpholine-4-carboximidate","","","","","","","","","","","","","","","","","","","","Dodecyl morpholine-4-carboximidate","","CCCCCCCCCCCCOC(=N)N1CCOCC1","VLXNAGGKCPWWSK-UHFFFAOYSA-N","239304",NA,"PDBC34910","44230","Present"
-"Dodecyl(dimethyl)sulfanium iodide","","","","","","","","","","","","","","","","","","","","Sulfonium, dodecyldimethyl- iodide","","CCCCCCCCCCCC[S+](C)C.[I-]","CWMLLWRTIPJOKV-UHFFFAOYSA-M","19021065",NA,"PDBC34911","72055","Present"
-"Dodecylamine, hydrobromide","","","","","","","","","","","","","","","","","","","","Dodecylamine, N-(3-phenylpropyl)-, hydrobromide","","CCCCCCCCCCCCNCCCC1=CC=CC=C1.Br","PFDMPZYMBAPDNY-UHFFFAOYSA-N","21144924",NA,"PDBC34912","402291","Present"
-"Dodecylphospho-L-serine (di-NH4 salt)","","","","","","","","","","","","","","","","","","","","Dodecylphospho-L-serine (di-NH4 salt)","","CCCCCCCCCCCCOP(=O)(O)OCC(C(=O)O)N.N","PGMCNCHJIAZBHM-UHFFFAOYSA-N","383119",NA,"PDBC34913","671162","Present"
-"Dodecylphosphono-L-serine (di-NH4 salt)","","","","","","","","","","","","","","","","","","","","Dodecylphosphono-L-serine (di-NH4 salt)","","CCCCCCCCCCCCP(=O)(O)OCC(C(=O)O)N.N","FPQBYEJABIPPTR-UHFFFAOYSA-N","383121",NA,"PDBC34914","671163","Present"
-"Doi:10.14272/CXIAWCOBGBHOCC-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","NSC682805","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-]","CXIAWCOBGBHOCC-UHFFFAOYSA-N","388211",NA,"PDBC34915","682805","Present"
-"Dolabella californica, extract OF-acetate","","","","","","","","","","","","","","","","","","","","DOLABELLA CALIFORNICA, EXTRACT OF - ACETATE","","CC1CCC=C(CC(C2C(CCC2(C=C1)C)C(C)(C)O)OC(=O)C)C","QPIUBKNTZMBLLI-BVXVVYCSSA-N","5358957",NA,"PDBC34916","292208","Present"
-"Dolabellin","","","","","","","","","","","","","","","","","","","","Dolabellin","","CC(C)C(C1=NC(=CS1)C(=O)OC)OC(=O)C(C)C(CCCC(C)(Cl)Cl)OC(=O)C2=CSC(=N2)C(CO)O","JHKFWJUVTLNOJZ-ZSGPHXLJSA-N","388132",NA,"PDBC34917","682622","Present"
-"Dolastatin 11","","","","","","","","","","","","","","","","","","","","from marine animal dolabella auricularia","","CCC1C(C(=O)OC(C(=O)NCC(=O)N(C(C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)C(C(=O)NC(C(=O)N1)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)C(C)CC)C","XOSLDLHSPLPVME-FKLVWXFWSA-N","354399",NA,"PDBC34918","606195","Present"
-"Doronine","","","","","","","","","","","","","","","","","","","","Doronine","","CC1CC(C(=O)OC2CCN(CC=C(C2=O)COC(=O)C1(C)OC(=O)C)C)(C(C)Cl)O.C1=CC=CC=C1","VMVVTEMNXFSWTH-PSUINESXSA-N","5478072",NA,"PDBC34919","379671","Present"
-"Dorsmanin A","","","","","","","","","","","","","","","","","","","","dorsmanin A","","CC1(CCC2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC=C(C=C3)O)C","UDSAJERKQRQHJR-WEVVVXLNSA-N","5472480",NA,"PDBC34920","719328","Present"
-"Dorsmanin C","","","","","","","","","","","","","","","","","","","","dorsmanin C","","CC(=CCCC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)C=CC(O2)(C)C)C)C","HHAZEOQNUWGOLG-RQZCQDPDSA-N","5472481",NA,"PDBC34921","719329","Present"
-"Dotmp","","","","","","","","","","","","","","","","","","","","DOTMP","","C1CN(CCN(CCN(CCN1CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O","RCXMQNIDOFXYDO-UHFFFAOYSA-N","124761",NA,"PDBC34922","681106","Present"
-"Doxantrazole","","","","","","","","","","","","","","","","","","","","Doxantrazole","","C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=NNN=N4","VIDCTSLIEZMQRF-UHFFFAOYSA-N","40119",NA,"PDBC34923","311586","Present"
-"Doxoform","","","","","","","","","","","","","","","","","","","","Doxoform","","CC1C2C(CC(O1)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)CO)O)N(CO2)CN7COC8C7CC(OC8C)OC9CC(CC1=C9C(=C2C(=C1O)C(=O)C1=C(C2=O)C(=CC=C1)OC)O)(C(=O)CO)O","ZZUVBKWGQQCRMJ-BCNYZFJLSA-N","24202589",NA,"PDBC34924","699490","Present"
-"Doxorubicin-Transferrin conjugate (Dox/TrF=2.5),~ Dox: 2...","","","","","","","","","","","","","","","","","","","","Doxorubicin-Transferrin conjugate (Dox/TrF=2.5),~ Dox: 2...","","","","",NA,"PDBC34925","722333","Present"
-"Doxypyrromycin hydrochloride","","","","","","","","","","","","","","","","","","","","aklavin","","CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)O)N(C)C)O.Cl","KTSRCTOUNGGQEI-XBLNTETQSA-N","264889",NA,"PDBC34926","100290","Present"
-"Dregeoside AO1","","","","","","","","","","","","","","","","","","","","DREGEOSIDE AO1","","CC1C(C(CC(O1)OC2CCC3(C4C(CC=C3C2)C5(CCC(C5(C(C4OC(=O)C)OC(=O)CC(C)C)C)C(=O)C)O)C)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC)O)OC)OC","PXGLRROUIHYIJI-UHFFFAOYSA-N","435773",NA,"PDBC34927","375875","Present"
-"Dregeoside AP1","","","","","","","","","","","","","","","","","","","","DREGEOSIDE AP1","","CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7C(CC=C6C5)C8(CCC(C8(C(C7OC(=O)C)OC(=O)CC(C)C)C)C(=O)C)O)C)C)C)C)O)OC)O","DNBGHHQKCVFJFT-UHFFFAOYSA-N","435772",NA,"PDBC34928","375874","Present"
-"Drosophilin B","","","","","","","","","","","","","","","","","","","","drosopholin b","","CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CO)C","ZRZNJUXESFHSIO-VYTKZBNOSA-N","6711172",NA,"PDBC34929","121145","Present"
-"Drostanolone propionate","","","","","","","","","","","","","","","","","","","","Dromostanolone Propionate","","CCC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(C(=O)C4)C)C)C","NOTIQUSPUUHHEH-UXOVVSIBSA-N","224004",NA,"PDBC34930","12198","Present"
-"Dthib","","","","","","","","","","","","","","","","","","","","NSC794587","","C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])F","DWVIOMKFHSRQQM-UHFFFAOYSA-N","108866909",NA,"PDBC34931","794587","Present"
-"Dtxsid001000071","","","","","","","","","","","","","","","","","","","","Thysanolactone","","CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(C6C(=O)OC(C5(C)C)O6)C)C)C)C","JKVLECODSCOIBO-UHFFFAOYSA-N","434400",NA,"PDBC34932","349620","Present"
-"Dtxsid00913646","","","","","","","","","","","","","","","","","","","","NSC665772","","C1CN(CCC1=C(C#N)C2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)F.Cl","LHMDSBDHRXPARH-UHFFFAOYSA-N","380291",NA,"PDBC34933","665772","Present"
-"Dtxsid00914734","","","","","","","","","","","","","","","","","","","","4(1H)-Pyrimidinone, 5-amino-6-(.beta.D-glucopyranosyl- a...","","COC1=NC(=C(C(=O)N1)N)NC2C(C(C(C(O2)CO)O)O)O","VSJOLCXIFHQZRD-UHFFFAOYSA-N","135503413",NA,"PDBC34934","624646","Present"
-"Dtxsid00920097","","","","","","","","","","","","","","","","","","","","4-[2-[(3,4-Dioxo-1-naphthyl)amino]phenyl]-N-(3-nitrophenyl)-2,4-dioxo-butanamide","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]","PUXUSCGZHRZRQN-UHFFFAOYSA-N","369472",NA,"PDBC34935","641242","Present"
-"Dtxsid00924676","","","","","","","","","","","","","","","","","","","","transvaalin","","CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O","SANIPSLLLIEJOB-NCQVURFFSA-N","222156",NA,"PDBC34936","7525","Present"
-"Dtxsid00928073","","","","","","","","","","","","","","","","","","","","Alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-N-(N-form...","","CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC=O","IGMJUMLGHIBRFY-UHFFFAOYSA-N","250002",NA,"PDBC34937","68989","Present"
-"Dtxsid00942077","","","","","","","","","","","","","","","","","","","","NSC646395","","C[N+](C)(CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])[O-].Cl","FLKXDNDCOXXZNL-UHFFFAOYSA-N","371872",NA,"PDBC34938","646395","Present"
-"Dtxsid00942698","","","","","","","","","","","","","","","","","","","","NSC156274","","CN(C)CCCN1C2=C(C=NC=C2)SC3=CC=CC=C31.Cl","INKYLGRZJWDKOY-UHFFFAOYSA-N","54604352",NA,"PDBC34939","156274","Present"
-"Dtxsid00974959","","","","","","","","","","","","","","","","","","","","2H-5-Thia-2a,6,10c-triazaaceanthrylen-3-ol, 1,3,4,10b-te...","","C1CN2C(CSC3=NC4=CC=CC=C4C1N32)(C5=CC=CC=C5)O.Br","HPPYOGTYHBKUGN-UHFFFAOYSA-N","12267385",NA,"PDBC34940","283477","Present"
-"Dtxsid00985166","","","","","","","","","","","","","","","","","","","","Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-7-(.beta.-D-mann...","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC4C(C(C(C(O4)CO)O)O)O)OC)OC","ACIAPWKOTHFOAA-XQMHFWANSA-N","302371",NA,"PDBC34941","221659","Present"
-"Dtxsid00994258","","","","","","","","","","","","","","","","","","","","Obtusol","","CC1(C(C(CC(=C)C12CCC(C(C2)Cl)(C)Br)O)Br)C","JPQFUHCOKXIWBB-LJURCNODSA-N","399421",NA,"PDBC34942","710203","Present"
-"Dtxsid101006296","","","","","","","","","","","","","","","","","","","","Caesalpinine A","","C1CCN2CC(CNC(=O)CC(NC1)C3=CC=CC=C3)C(C2=O)C(C4=CC=CC=C4)O","SHBCCFGHZDXOET-UHFFFAOYSA-N","435881",NA,"PDBC34943","378247","Present"
-"Dtxsid10713053","","","","","","","","","","","","","","","","","","","","1,3-Naphthalenedisulfonic acid, 7,7'-azoxybis [[[[[(2-su...","","C1=CC(=CC=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)N=[N+](C6=CC(=C(C=C6)C=CC7=C(C=C(C=C7)N=NC8=CC=C(C=C8)N=NC9=CC1=C(C=C(C=C1C=C9)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+]","DNNJCJMEUUJKGJ-SHFIEPTGSA-N","54601070",NA,"PDBC34944","35617","Present"
-"Dtxsid10913354","","","","","","","","","","","","","","","","","","","","4-(10-Methyl-10H-indolo[3,2-b]quinolin-11-yl)amino-2,6-b...","","CCN(CC)CC1=CC(=CC(=C1O)CN(CC)CC)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3C.Cl","MBGRQOWLEBZBCK-UHFFFAOYSA-N","376179",NA,"PDBC34945","656712","Present"
-"Dtxsid10918440","","","","","","","","","","","","","","","","","","","","NSC153533","","COC1=C(C=C2C(=C1)CCN=C2CCN)OC.Cl","VMJDJWQVQFBXDP-UHFFFAOYSA-N","54611410",NA,"PDBC34946","153533","Present"
-"Dtxsid10928125","","","","","","","","","","","","","","","","","","","","D 399","","CC1CC(CC(C1)(C2=CC=CC=C2)OCCN3CCCCC3)(C)C.Cl","NDXHBSOWNAFKMV-UHFFFAOYSA-N","24189785",NA,"PDBC34947","96255","Present"
-"Dtxsid10935152","","","","","","","","","","","","","","","","","","","","NSC96694","","C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN.Cl","HVMJNOWTUHSJON-UHFFFAOYSA-N","13267783",NA,"PDBC34948","96694","Present"
-"Dtxsid10946142","","","","","","","","","","","","","","","","","","","","Methyl 3-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]propanoate","","COC(=O)C(CO)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","URGKCDLCQYUTLA-UHFFFAOYSA-N","279421",NA,"PDBC34949","129922","Present"
-"Dtxsid10949698","","","","","","","","","","","","","","","","","","","","2-Amino-4,5-dimethyl-N'-(4-methylphenyl)sulfonylbenzohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(C=C(C(=C2)C)C)N","BHWTXAACUSJOBG-UHFFFAOYSA-N","267792",NA,"PDBC34950","107453","Present"
-"Dtxsid10965691","","","","","","","","","","","","","","","","","","","","Guanidine, 1-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro...","","CC1=CC(=NC(=N1)N=C(N)NC2=CC(=C(C=C2)Cl)C(F)(F)F)NCCN(C(C)C)C(C)C","DINNMQMTOABTAT-UHFFFAOYSA-N","49791547",NA,"PDBC34951","127328","Present"
-"Dtxsid10985051","","","","","","","","","","","","","","","","","","","","NSC48403","","C1=CC=C(C=C1)CSC2=NC=CC(=N2)NC3=C(C=CC(=C3)Cl)Cl.Cl","QMFOMWKFTWPCMA-UHFFFAOYSA-N","24186314",NA,"PDBC34952","48403","Present"
-"Dtxsid10985253","","","","","","","","","","","","","","","","","","","","NSC275647","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC)O)N)O.Cl","NFAUERLESUWLDV-IBOVKBSISA-N","24197836",NA,"PDBC34953","275647","Present"
-"Dtxsid10988441","","","","","","","","","","","","","","","","","","","","[2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-trimethylazanium;chloride","","C[N+](C)(C)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N.[Cl-]","OAIROYKFXZPWFH-UHFFFAOYSA-M","5351860",NA,"PDBC34954","66380","Present"
-"Dtxsid201002592","","","","","","","","","","","","","","","","","","","","sergiolide","","CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC","ZZKFDOQILIXHHH-UHFFFAOYSA-N","5201",NA,"PDBC34955","344025","Present"
-"Dtxsid201007778","","","","","","","","","","","","","","","","","","","","NSC368891","","CC1(N=C(N=C(N1C2=CC=CC(=C2)CSC3=CC=CC=C3)N)N)C.Cl","TVHJZVGRHXISIF-UHFFFAOYSA-N","24200351",NA,"PDBC34956","368891","Present"
-"Dtxsid20905967","","","","","","","","","","","","","","","","","","","","NSC101335","","COC1=CC(=CC(=C1OC)OC)CNCC2=CC(=C(C(=C2)OC)OC)OC.Cl","MSYPSCQESOIXJR-UHFFFAOYSA-N","54606257",NA,"PDBC34957","101335","Present"
-"Dtxsid20907668","","","","","","","","","","","","","","","","","","","","NSC659148","","CCN(CC)CCN1C2=C(C=CC(=C2)Cl)N=C1CC3=CC=C(C=C3)OC.Cl","RZAVFGNMQHMDLC-UHFFFAOYSA-N","377579",NA,"PDBC34958","659148","Present"
-"Dtxsid20943884","","","","","","","","","","","","","","","","","","","","8-Azaguanosine","","C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)N=N2)O)O)O","QOVIBFFZCVPCEI-UHFFFAOYSA-N","135408506",NA,"PDBC34959","46788","Present"
-"Dtxsid20946638","","","","","","","","","","","","","","","","","","","","[2-(Benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate","","C1C(C(OC1N2C=C(C(=O)NC2=O)F)CSC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4","AFUDIJVTABHLBY-UHFFFAOYSA-N","251458",NA,"PDBC34960","71850","Present"
-"Dtxsid20967808","","","","","","","","","","","","","","","","","","","","Methanesulfonamide, N-[4-[(3-nitro-9-acridinyl)amino]phe...","","CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-].Cl","OVSYEZGTQMCACX-UHFFFAOYSA-N","12999180",NA,"PDBC34961","128578","Present"
-"Dtxsid20968815","","","","","","","","","","","","","","","","","","","","NSC296568","","C1CCN(C1)CCCN2C(=O)COC(=N2)C3=CC=CC=C3O.Cl","FWGCOBHBBCAFKY-UHFFFAOYSA-N","135502198",NA,"PDBC34962","296568","Present"
-"Dtxsid20973025","","","","","","","","","","","","","","","","","","","","NSC622641","","C1=CC=C(C=C1)N=C2N=C(SS2)N.Br","SAEYWMSDTTXZHA-UHFFFAOYSA-N","360507",NA,"PDBC34963","622641","Present"
-"Dtxsid20973202","","","","","","","","","","","","","","","","","","","","ISOBRUCEIN A","","CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O","NTBOLWMPXFGUHO-UHFFFAOYSA-N","322357",NA,"PDBC34964","279503","Present"
-"Dtxsid20982879","","","","","","","","","","","","","","","","","","","","1,7-Heptanediamine, N,N'-bis(2-methyl-7-nitro-4-quinolin...","","CC1=CC(=C2C=CC(=CC2=N1)[N+](=O)[O-])NCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)[N+](=O)[O-].Cl","PUIKGXLITDKEAM-UHFFFAOYSA-N","54608720",NA,"PDBC34965","272346","Present"
-"Dtxsid20984257","","","","","","","","","","","","","","","","","","","","ROYLEANONE-7A-FORMYLOXY-6B-HYDROXY-ERU 701","","CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3C(C2OC=O)O)(C)C)C)O","NSCMIMHUVQXSBW-UHFFFAOYSA-N","433733",NA,"PDBC34966","337581","Present"
-"Dtxsid30927195","","","","","","","","","","","","","","","","","","","","Arabinopyranoside, methyl, 2,3-dibenzoate 4-p-toluenesul...","","CC1=CC=C(C=C1)S(=O)(=O)OC2COC(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC","JCSXKIONPSDJBE-UHFFFAOYSA-N","260901",NA,"PDBC34967","92713","Present"
-"Dtxsid30930780","","","","","","","","","","","","","","","","","","","","Pleurotine","","CC1COC2C3C4C1CCC4CC5C3C(C6=C2C(=O)C=CC6=O)OC5=O","SBDBJWBHRZQCQD-UHFFFAOYSA-N","344218",NA,"PDBC34968","401005","Present"
-"Dtxsid30961872","","","","","","","","","","","","","","","","","","","","NSC249910","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)Cl)O","KUAKYFCHUDSMNU-FQEVSTJZSA-N","317560",NA,"PDBC34969","249910","Present"
-"Dtxsid40909169","","","","","","","","","","","","","","","","","","","","[16-(Aziridin-1-ylmethyl)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4=O)CN5CC5)C)C","CJUKMDBJDPZAEN-UHFFFAOYSA-N","270053",NA,"PDBC34970","112147","Present"
-"Dtxsid40956214","","","","","","","","","","","","","","","","","","","","(17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidothioate;4-methylbenzenesulfonic acid","","CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)SC(=N)N)C)C","WGDGAFGEBJZMBJ-UHFFFAOYSA-N","276191",NA,"PDBC34971","123477","Present"
-"Dtxsid40979448","","","","","","","","","","","","","","","","","","","","2,8-Bis((dimethylamino)methyl)cyclooctanone hydrochloride","","CN(C)CC1CCCCCC(C1=O)CN(C)C.Cl","WZQKEFKBISEZLU-UHFFFAOYSA-N","373400",NA,"PDBC34972","38530","Present"
-"Dtxsid40985362","","","","","","","","","","","","","","","","","","","","Pyrromycin","","CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)O)N(C)C)O","ZJBMQVPEJHVSQA-KNYUDZPRSA-N","320287",NA,"PDBC34973","267229","Present"
-"Dtxsid50906285","","","","","","","","","","","","","","","","","","","","NSC663970","","COC1=CC=C(C2=CC=CC=C21)CN=C(N)N.OS(=O)(=O)O","UTKYHUMQCYYUGO-UHFFFAOYSA-N","379427",NA,"PDBC34974","663970","Present"
-"Dtxsid50960201","","","","","","","","","","","","","","","","","","","","1,3,5,7,2,4,6,8-Tetraazatetraphosphocine, 2,2,4,4,6,6,8,...","","CCCCNP1(=NP(=NP(=NP(=N1)(NCCCC)NCCCC)(NCCCC)NCCCC)(NCCCC)NCCCC)NCCCC","VUXWEFDMCHUGCK-UHFFFAOYSA-N","246248",NA,"PDBC34975","58924","Present"
-"Dtxsid50996267","","","","","","","","","","","","","","","","","","","","NSC400492","","CN(C)CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2.Cl","TVNSVUNDENKORK-UHFFFAOYSA-N","24191576",NA,"PDBC34976","400492","Present"
-"Dtxsid60915181","","","","","","","","","","","","","","","","","","","","3-(2-Methylpyrrolidin-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate;hydrochloride","","CC1CCCN1CCCOC(=O)C2=CC=C(C=C2)OC3CCCC=C3.Cl","XOAVVMDWAJSGJI-UHFFFAOYSA-N","24181695",NA,"PDBC34977","10709","Present"
-"Dtxsid60920331","","","","","","","","","","","","","","","","","","","","1-Propanone, 3-(dimethylamino)-2-[(dimethylamino)methyl]...","","CN(C)CC(CN(C)C)C(=O)C1=CC=C(C=C1)OC.Cl","VEZHWIXSWJIYKI-UHFFFAOYSA-N","54607588",NA,"PDBC34978","317917","Present"
-"Dtxsid60956751","","","","","","","","","","","","","","","","","","","","WR 122455","","C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=C(C=CC4=C2)C(F)(F)F)C(F)(F)F)O.Cl","HKAMJBJQZVUJFZ-UHFFFAOYSA-N","161868",NA,"PDBC34979","140364","Present"
-"Dtxsid60978832","","","","","","","","","","","","","","","","","","","","NSC17779","","C1=CC(=C(C=C1CSCCC2=CC=NC=C2)Cl)Cl.Cl","OBUCNZNZFXYGCA-UHFFFAOYSA-N","24182555",NA,"PDBC34980","17779","Present"
-"Dtxsid60983880","","","","","","","","","","","","","","","","","","","","Phosphonium, [2-(1,3-dihydro-2H-isoindol-2-yl)ethyl]trip...","","C1C2=CC=CC=C2CN1CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]","QUNAWFXEKMWPCT-UHFFFAOYSA-M","22210410",NA,"PDBC34981","281625","Present"
-"Dtxsid70959718","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[[3-[(6-chloro-2-methoxy-9-acridinyl)amino]pr...","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCCO.Cl","HPTNFTTURYHANM-UHFFFAOYSA-N","24182153",NA,"PDBC34982","14071","Present"
-"Dtxsid70969377","","","","","","","","","","","","","","","","","","","","N-(4-Benzylsulfanylquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine","","CCN(CC)CCCNC1=CC=CC2=C(C=CN=C21)SCC3=CC=CC=C3","HRNGEYSSMHIOAU-UHFFFAOYSA-N","224815",NA,"PDBC34983","13628","Present"
-"Dtxsid70975872","","","","","","","","","","","","","","","","","","","","4,6-Quinolinediamine, N4,N4'-1,6-hexanediylbis[2-methyl-...","","CC1=CC(=C2C=C(C=CC2=N1)N)NCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)N.Cl","RDEWBWVNGRTDFZ-UHFFFAOYSA-N","54606675",NA,"PDBC34984","143057","Present"
-"Dtxsid70984585","","","","","","","","","","","","","","","","","","","","NSC274902","","C1(=C(C(=C(C(=C1F)F)F)F)F)N=C(N)N=C(N)N.Cl","KUXIPEGGRSGSKY-UHFFFAOYSA-N","24197821",NA,"PDBC34985","274902","Present"
-"Dtxsid70991416","","","","","","","","","","","","","","","","","","","","Stypoldione","","CC1CCC2C3(CCC(C(C3CCC2(C14CC5=C(O4)C(=CC(=O)C5=O)C)C)(C)C)O)C","LLWMPGSQZXZZAE-UHFFFAOYSA-N","433930",NA,"PDBC34986","339672","Present"
-"Dtxsid80913609","","","","","","","","","","","","","","","","","","","","7,8-Dichloro-10-[3-(dimethylamino)propyl]benzo[g]pteridine-2,4-dione;hydrochloride","","CN(C)CCCN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl.Cl","HNRHHFLHZSXOJL-UHFFFAOYSA-N","24185927",NA,"PDBC34987","44684","Present"
-"Dtxsid80923102","","","","","","","","","","","","","","","","","","","","Weisiensin A","","CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(C3OC(=O)C)O)(C)C)O)OC(=O)C)C)C(=O)C2=C","QTLPNFQMZWBMDF-QWOINNSUSA-N","377386",NA,"PDBC34988","658829","Present"
-"Dtxsid80929048","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate","","CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC(=O)C","DGOPINOGGYUGAU-UHFFFAOYSA-N","243456",NA,"PDBC34989","53292","Present"
-"Dtxsid80964232","","","","","","","","","","","","","","","","","","","","N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide","","CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O","FBZHXZRNIYVAEX-UHFFFAOYSA-N","369944",NA,"PDBC34990","642311","Present"
-"Dtxsid80971385","","","","","","","","","","","","","","","","","","","","Pseudobrucine","","COC1=C(C=C2C(=C1)C34CCN5C3(CC6C7C4N2C(=O)CC7OCC=C6C5)O)OC","JNNROFOMHXIAMQ-UHFFFAOYSA-N","264628",NA,"PDBC34991","99794","Present"
-"Dtxsid80978596","","","","","","","","","","","","","","","","","","","","Acridine, 6-chloro-9-[[4-(diethylamino)butyl]amino]-2-me...","","CCN(CC)CCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl","UFESHPVTIVDMGM-UHFFFAOYSA-N","24181383",NA,"PDBC34992","8591","Present"
-"Dtxsid80978859","","","","","","","","","","","","","","","","","","","","NSC45869","","C1=CC=NC(=C1)CCSC(=N)N.Cl","TWNIUHSVZYSGBN-UHFFFAOYSA-N","24186110",NA,"PDBC34993","45869","Present"
-"Dtxsid80986131","","","","","","","","","","","","","","","","","","","","N,N-Dimethyladriamycin","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N(C)C)O.Cl","GDHDMMYJQUZEPN-MTDHEZBUSA-N","24197346",NA,"PDBC34994","261045","Present"
-"Dtxsid80991109","","","","","","","","","","","","","","","","","","","","5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihyd...","","CCN(CC)C1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O.Cl","GDIORRHLBKYQCZ-PYBHCKQVSA-N","24197596",NA,"PDBC34995","268239","Present"
-"Dtxsid80991503","","","","","","","","","","","","","","","","","","","","5,12-Naphthacenedione, 7-[(3-amino-2,3,6-trideoxy-.alpha...","","CC1C(C(CC(O1)OC2CCCC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)N)O.Cl","YTFBPFAMUWVIPF-UHFFFAOYSA-N","24195780",NA,"PDBC34996","221267","Present"
-"Dtxsid90918504","","","","","","","","","","","","","","","","","","","","[1,1'-Biphenyl]-2-ol, 4'-chloro-5-[(7-chloro- 4-quinolin...","","CC(C)(C)NCC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)Cl)O.Cl","KPSHZFLFSGVOHU-UHFFFAOYSA-N","54601565",NA,"PDBC34997","364657","Present"
-"Dtxsid90947233","","","","","","","","","","","","","","","","","","","","Piperidinium, 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene...","","C1CC[N+](=C2SC=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])CC1.OS(=O)(=O)[O-]","DWUJGGCLDGYBPI-UHFFFAOYSA-M","24198610",NA,"PDBC34998","301189","Present"
-"Dtxsid90964223","","","","","","","","","","","","","","","","","","","","5,5-Dimethyl-6'-nitro-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-one","","CC1(C2(C=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])N(C(=O)O1)C4=CC=CC=C4)C","IOOQJTUJMJYIHI-UHFFFAOYSA-N","392261",NA,"PDBC34999","692402","Present"
-"Dtxsid90965457","","","","","","","","","","","","","","","","","","","","3-(6-Chloro-1,1-dioxo-7-sulfamoyl-4H-1lambda6,2,4-benzothiadiazin-3-yl)propanoic acid","","C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=C(N2)CCC(=O)O","ZWUAVQXIWHVWDR-UHFFFAOYSA-N","5458565",NA,"PDBC35000","279835","Present"
-"Dtxsid90968807","","","","","","","","","","","","","","","","","","","","3.BETA.-HYDROXY-7,11-DIOXO-4,4,14-TRIMETHYL-5.ALPHA.-CHO...","","CC(CCC(=O)O)C1CCC2(C1(CC(=O)C3C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C","DFWCSGAJNBBVMR-JYHUSGTRSA-N","219835",NA,"PDBC35001","1614","Present"
-"Dtxsid90973638","","","","","","","","","","","","","","","","","","","","Carbamimidothioic acid, [2-methyl-1-(phenylmethyl)-1H-im...","","CC1=NC=C(N1CC2=CC=CC=C2)CSC(=N)N.Cl","PLMDAKRVVPWPFI-UHFFFAOYSA-N","54607358",NA,"PDBC35002","269911","Present"
-"Dtxsid90978466","","","","","","","","","","","","","","","","","","","","NSC11050","","CC1=CN=C2C=C(C=CC2=C1NCCN(CC(C)C)CC(C)C)Cl.OP(=O)(O)O","DYSXQDJZILXXFY-UHFFFAOYSA-N","22210395",NA,"PDBC35003","11050","Present"
-"Dtxsid90997753","","","","","","","","","","","","","","","","","","","","N4-(6-Methoxy-4-methyl-8-quinolinyl)-1,4-hexanediamine, ...","","CCC(CCCN)NC1=CC(=CC2=C(C=CN=C12)C)OC.OP(=O)(O)O","KUKXTXJEFVHIDT-UHFFFAOYSA-N","380143",NA,"PDBC35004","665546","Present"
-"Dtxsid90998881","","","","","","","","","","","","","","","","","","","","2H-Pyrrolo[3,2-f]quinazoline-2,4(3H)-diamine, 3-[(3-amin...","","C1=CC(=CC=C1CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N)N.Cl","XHQRYJPFWYWKGX-UHFFFAOYSA-N","24198955",NA,"PDBC35005","309401","Present"
-"Dubamine","","","","","","","","","","","","","","","","","","","","Dubamine","","C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C=C3","VQHLFUQPZRTKIV-UHFFFAOYSA-N","360322",NA,"PDBC35006","622369","Present"
-"Dubiusine","","","","","","","","","","","","","","","","","","","","Dubiusine","","CC(CC(=O)OC1=C(C=C2C(=C1)C3C(C(C=C4C3N(CC4)C)OC(=O)C)OC2=O)OC)O","FBWQZJWDTGIERI-LQBUJFQQSA-N","5459155",NA,"PDBC35007","631346","Present"
-"Duborimycin hydrochloride","","","","","","","","","","","","","","","","","","","","daunorubicineal","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(C)O)O)N)O.Cl","LQLMJJJLWJUAMM-FDUHLMOMSA-N","24195349",NA,"PDBC35008","180510","Present"
-"Dumijwxaoiemim-uhfffaoysa-","","","","","","","","","","","","","","","","","","","","3-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]oxadiazole","","C1CN2C(ONC2=N1)C3=CC=CC=C3","DUMIJWXAOIEMIM-UHFFFAOYSA-N","11106127",NA,"PDBC35009","727194","Present"
-"Duramycin","","","","","","","","","","","","","","","","","","","","Duramycin","","","","",NA,"PDBC35010","71935","Present"
-"Duvelisib","","","","","","","","","","","","","","","","","","","","IPI-145","","CC(C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5","SJVQHLPISAIATJ-ZDUSSCGKSA-N","50905713",NA,"PDBC35011","772469","Present"
-"Dypnone guanyl hydrazone hydrochloride","","","","","","","","","","","","","","","","","","","","Dypnone guanyl hydrazone hydrochloride","","CC(=CC(=NN=C(N)N)C1=CC=CC=C1)C2=CC=CC=C2.Cl","FHQOLBQKSNLIEZ-UOHPEKPOSA-N","54608667",NA,"PDBC35012","67025","Present"
-"Dysidamide","","","","","","","","","","","","","","","","","","","","Dysidamide","","CC(CC1C(C(C(=O)N1C(=O)CC(C)C(Cl)(Cl)Cl)(C)C)O)C(Cl)(Cl)Cl","SZYKZXUJGUQVIX-CKQMPDBCSA-N","6711373",NA,"PDBC35013","624457","Present"
-"Dysorone E","","","","","","","","","","","","","","","","","","","","Dysorone E","","CC(=CC1CC(CO1)C2CC=C3C2(CCC4C3(C(=O)CC5C4(C=CC(=O)C5(C)CO)C)C)C)C","LBCVUGXXRUZTFT-UAWYEJSOSA-N","5459221",NA,"PDBC35014","651415","Present"
-"E,E Incanic acid","","","","","","","","","","","","","","","","","","","","E,E incanic acid","","CC(=CCCC(=CCCC(=CCCC1=COC=C1)C(=O)O)C(=O)O)C","QZDPUYWKZQBXTJ-SCNFBCNRSA-N","5469523",NA,"PDBC35015","689439","Present"
-"E,Z Incanic acid","","","","","","","","","","","","","","","","","","","","E,Z Incanic acid","","CC(=CCCC(=CCCC(=CCCC1=COC=C1)C(=O)O)C(=O)O)C","QZDPUYWKZQBXTJ-HCKUEKJXSA-N","5469522",NA,"PDBC35016","689438","Present"
-"E,e-Carotene-3,3'-dione","","","","","","","","","","","","","","","","","","","","(6RS,6'RS)-.epsilon.,.epsilon.-Carotene-3,3'-dione","","CC1=CC(=O)CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(=O)CC2(C)C)C)C)C)(C)C","IMFOMPZKWQBDLQ-DKLMTRRASA-N","5471691",NA,"PDBC35017","713074","Present"
-"E-4031 dihydrochloride","","","","","","","","","","","","","","","","","","","","E-4031 dihydrochloride","","","","",NA,"PDBC35018","782346","Present"
-"E-564","","","","","","","","","","","","","","","","","","","","E-564","","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCOCCO","VGQJRAZEAYCIOL-NKFKGCMQSA-N","135436295",NA,"PDBC35019","717835","Present"
-"E-7046","","","","","","","","","","","","","","","","","","","","E-7046","","CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)F","MKLKAQMPKHNQPR-NSHDSACASA-N","56944705",NA,"PDBC35020","804040","Present"
-"E-7090","","","","","","","","","","","","","","","","","","","","E-7090","","CNC(=O)N1C=CC2=CC(=C(C=C21)OCCOC)OC3=CC(=NC=C3)NC(=O)C4=CC=C(C=C4)C5CCN(CC5)CCO","IBHOLSBDZMIPPT-UHFFFAOYSA-N","78323434",NA,"PDBC35021","806388","Present"
-"E-Norendoxifen","","","","","","","","","","","","","","","","","","","","E/Z-Norendoxifen","","CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN)C3=CC=CC=C3","YCQBLTPGQSYLHD-WCWDXBQESA-N","60202715",NA,"PDBC35022","775353","Present"
-"E/Z-4,(2-Hydroxyethylamino)-D-fructose (3-methylbenzothiazolin-2-ylidene)hyrazone formate","","","","","","","","","","","","","","","","","","","","E/Z-4,6-O-benzylidene-1-deoxy-1,(2-hydroxyethylamino)-D-...","","CN1C2=CC=CC=C2SC1=NN=C(CNCCO)C(C3C(COC(O3)C4=CC=CC=C4)O)O.C(=O)O","HVMNMJJULAWXSW-VTVFCBIHSA-N","54611448",NA,"PDBC35023","704605","Present"
-"E2GG,7-bis[(4-methoxybenzyl)amino]-3-isopropylpyrazolo[4,3-d]py rimidine","","","","","","","","","","","","","","","","","","","","E2GG, 5,7-bis[(4-methoxybenzyl)amino]-3-isopropylpyrazol...","","CC(C)C1=C2C(=NN1)C(=NC(=N2)NCC3=CC=C(C=C3)OC)NCC4=CC=C(C=C4)OC","JLVOUKYHCMDIQP-UHFFFAOYSA-N","16099748",NA,"PDBC35024","736739","Present"
-"ECHINOSPORIN","","","","","","","","","","","","","","","","","","","","ECHINOSPORIN","","C1=CC2(C3C1C(OC(=C3)C(=O)N)OC2=O)O","OXSZHYWOGQJUST-UHFFFAOYSA-N","434786",NA,"PDBC35025","357683","Present"
-"EED-226","","","","","","","","","","","","","","","","","","","","EED-226","","CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4","DYIRSNMPIZZNBK-UHFFFAOYSA-N","123132228",NA,"PDBC35026","803408","Present"
-"EF-5","","","","","","","","","","","","","","","","","","","","EF-5","","C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCC(C(F)(F)F)(F)F","JGGDSDPOPRWSCX-UHFFFAOYSA-N","389053",NA,"PDBC35027","684681","Present"
-"EG 2","","","","","","","","","","","","","","","","","","","","EG 2","","","","",NA,"PDBC35028","270927","Present"
-"ELACTOCIN","","","","","","","","","","","","","","","","","","","","ELACTOCIN","","CCC(=CC(C)CC=CC(=CC(C)C(=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC1C(C=CC(=O)O1)C","YACHGFWEQXFSBS-SAYXANOCSA-N","5458861",NA,"PDBC35029","364372","Present"
-"ELLIPTICINE, 9-(DIMETHYLAMINOETHOXY)-, DIHYDROCHLORIDE","","","","","","","","","","","","","","","","","","","","ELLIPTICINE, 9-(DIMETHYLAMINOETHOXY)-, DIHYDROCHLORIDE","","CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OCCN(C)C)C.Cl","VAQMKTWTRBFULR-UHFFFAOYSA-N","54601911",NA,"PDBC35030","338258","Present"
-"EMD-534085","","","","","","","","","","","","","","","","","","","","EMD-534085","","CN(C)CCNC(=O)NCC1CCC2C(NC3=C(C2O1)C=C(C=C3)C(F)(F)F)C4=CC=CC=C4","MARIUIDCPUZLKZ-FUKQBSRTSA-N","23634407",NA,"PDBC35031","763564","Present"
-"EN300-03848","","","","","","","","","","","","","","","","","","","","EN300-03848","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN","AECZZXCAOYZBRA-UHFFFAOYSA-N","722817",NA,"PDBC35032","695067","Present"
-"EN300-06024","","","","","","","","","","","","","","","","","","","","EN300-06024","","C1=CC(=CC=C1CC2=NC(=S)NN2)Cl","MOLLSIZVSZCIOU-UHFFFAOYSA-N","1550520",NA,"PDBC35033","686976","Present"
-"EN300-06551","","","","","","","","","","","","","","","","","","","","EN300-06551","","C1=CC=C2C(=C1)N=C(S2)CC(=O)NC3=CC=C(C=C3)Cl","LENBBBAUQPOLJK-UHFFFAOYSA-N","359791",NA,"PDBC35034","621354","Present"
-"EN300-14326","","","","","","","","","","","","","","","","","","","","EN300-14326","","C=CCN1C2=C(C(=O)NC=N2)SC1=S","XMSJNOBHTISRAW-UHFFFAOYSA-N","135408963",NA,"PDBC35035","650580","Present"
-"EN300-25990","","","","","","","","","","","","","","","","","","","","EN300-25990","","CCC1=C(C(=S)NC2=C1CCC2)C#N","QKYPEAYWLXDFCP-UHFFFAOYSA-N","794510",NA,"PDBC35036","705925","Present"
-"EN300-27488","","","","","","","","","","","","","","","","","","","","EN300-27488","","C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CC#N","QBZYAWYXEIFDQV-UHFFFAOYSA-N","395238",NA,"PDBC35037","699713","Present"
-"EN300-36450","","","","","","","","","","","","","","","","","","","","EN300-36450","","C1=CC(=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)O)[N+](=O)[O-]","SJNIVFZEKRLLEP-AUWJEWJLSA-N","940606",NA,"PDBC35038","657010","Present"
-"EN300-79332","","","","","","","","","","","","","","","","","","","","EN300-79332","","C1CCC2(C1)C3=CC=CC=C3NC2=O","WFPNMCKAQLBEMD-UHFFFAOYSA-N","363343",NA,"PDBC35039","628199","Present"
-"ENHYDRIN A","","","","","","","","","","","","","","","","","","","","ENHYDRIN A","","CC1C(O1)(C)C(=O)OC2C3C(C4C(O4)(CCC=C(C2OC(=O)C)C(=O)OC)C)OC(=O)C3=C","VCBNPTWPJQLHQN-FNNTXMBASA-N","5359029",NA,"PDBC35040","294601","Present"
-"ENT 51408","","","","","","","","","","","","","","","","","","","","ENT 51408","","C1=CN=C(C=N1)C2=NC(=NC(=N2)N)N","NBTPDJCUHITSDX-UHFFFAOYSA-N","146422",NA,"PDBC35041","699729","Present"
-"ENTANDROPHRAGMIN","","","","","","","","","","","","","","","","","","","","ENTANDROPHRAGMIN","","CCC(C)C(=O)OC1CC2(C(OC(=O)CC23C45C1(C6(C(C7(CC6(C(C7OC(=O)C8(C(O8)C)C)(C4OC(=O)C(C)C)O)O)C)CC(=O)OC)C)OC(O3)(O5)C)C9=COC=C9)C","BUVRFGBECZFCRL-UHFFFAOYSA-N","431218",NA,"PDBC35042","290642","Present"
-"EPOXYGERANYLEMODINE, 03-C6-","","","","","","","","","","","","","","","","","","","","EPOXYGERANYLEMODINE, 03-C6-","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OCC=C(C)CCC4C(O4)(C)C","HWGSNINRXUADDX-NTUHNPAUSA-N","5912629",NA,"PDBC35043","337592","Present"
-"EPZ-011989","","","","","","","","","","","","","","","","","","","","EPZ-011989","","CCN(C1CCC(CC1)N(C)CCOC)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C#CCN4CCOCC4","XQFINGFCBFHOPE-UHFFFAOYSA-N","73670548",NA,"PDBC35044","809099","Present"
-"EPZ-015666","","","","","","","","","","","","","","","","","","","","EPZ-015666","","C1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=CC(=NC=N3)NC4COC4)O","ZKXZLIFRWWKZRY-KRWDZBQOSA-N","90241673",NA,"PDBC35045","785299","Present"
-"EPZ-020411","","","","","","","","","","","","","","","","","","","","EPZ-020411","","CNCCN(C)CC1=C(NN=C1)C2=CC=C(C=C2)OC3CC(C3)OCCC4CCOCC4","QMDKVNSQXPVCRD-UHFFFAOYSA-N","91668547",NA,"PDBC35046","790865","Present"
-"EPZ-031686","","","","","","","","","","","","","","","","","","","","EPZ-031686","","C1CC2CC(CC1N2S(=O)(=O)CC3CCN(CC3)CCCC(F)(F)F)NC(=O)C4=C(C=C5C(=C4)CC(=O)N5)Cl","OTEIUEJPHNOGBG-IHWFROFDSA-N","118946372",NA,"PDBC35047","804862","Present"
-"EPZ-5687","","","","","","","","","","","","","","","","","","","","EPZ-5687","","CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC=C(C=C4)CN5CCOCC5)C6CCCC6)C","ZOIBZSZLMJDVDQ-UHFFFAOYSA-N","60160561",NA,"PDBC35048","783332","Present"
-"ERB-38 Immunotoxin","","","","","","","","","","","","","","","","","","","","ERB-38 Immunotoxin","","","","",NA,"PDBC35049","683039","Present"
-"ERIOFLORIN ACETATE","","","","","","","","","","","","","","","","","","","","ERIOFLORIN ACETATE","","CC1=CC2C(C(CC3(C(O3)CC1OC(=O)C)C)OC(=O)C(=C)C)C(=C)C(=O)O2","RXIZKFBTUOTBOZ-YRNVUSSQSA-N","5358418",NA,"PDBC35050","251667","Present"
-"EU-0000702","","","","","","","","","","","","","","","","","","","","EU-0000702","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=NN3)C4=CC=CC=C4","DCIQENUTBBHOJW-UHFFFAOYSA-N","399169",NA,"PDBC35051","709588","Present"
-"EU-0000809","","","","","","","","","","","","","","","","","","","","EU-0000809","","CC1=CCC2CC1NC(=O)CCOCCC(=O)NC2(C)C","NADMYHVEYWCVSO-UHFFFAOYSA-N","392986",NA,"PDBC35052","694228","Present"
-"EU-0001091","","","","","","","","","","","","","","","","","","","","EU-0001091","","COC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)OC","ZOJVMIDFYLLISF-UHFFFAOYSA-N","402450",NA,"PDBC35053","716420","Present"
-"EU-0001532","","","","","","","","","","","","","","","","","","","","EU-0001532","","COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)CC3=CC=CC=C3","LTBZBEFXSXGULN-UHFFFAOYSA-N","396391",NA,"PDBC35054","702344","Present"
-"EU-0007675","","","","","","","","","","","","","","","","","","","","EU-0007675","","C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CC4=CC=C(C=C4)Cl","UMYWEQWZYQDPKH-UHFFFAOYSA-N","401592",NA,"PDBC35055","715288","Present"
-"EU-0013793","","","","","","","","","","","","","","","","","","","","EU-0013793","","CC(C)(C)NC1=NC(NC(=O)N1)(C(F)(F)F)C(F)(F)F","WWMMDSRDZNGVSI-UHFFFAOYSA-N","382491",NA,"PDBC35056","670097","Present"
-"EU-0033526","","","","","","","","","","","","","","","","","","","","EU-0033526","","C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CN5C=CC=CC5=N4","CPWWDKWQZMSUSN-UHFFFAOYSA-N","395975",NA,"PDBC35057","701099","Present"
-"EU-0034651","","","","","","","","","","","","","","","","","","","","EU-0034651","","C1=CC=C2C(=C1)N=C3N2SC4=NC5=CC=CC=C5N34","JWVPHZLCUDBYMT-UHFFFAOYSA-N","396925",NA,"PDBC35058","704106","Present"
-"EU-0070102","","","","","","","","","","","","","","","","","","","","EU-0070102","","CC1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)C","BMTYBFYNUDRXSH-UHFFFAOYSA-N","374251",NA,"PDBC35059","651752","Present"
-"EU-0078091","","","","","","","","","","","","","","","","","","","","EU-0078091","","C1C(=O)SC2=C(S1)SC(=S)S2","PANBNRPGPHIODL-UHFFFAOYSA-N","362960",NA,"PDBC35060","627451","Present"
-"EU-0080428","","","","","","","","","","","","","","","","","","","","EU-0080428","","CCOC(=O)C(C(F)(F)F)(NC1=NOC(=C1)C)NC(=O)C2=CC=CC=C2","NOTBKCHVHDONNP-UHFFFAOYSA-N","389130",NA,"PDBC35061","684815","Present"
-"EU-0091995","","","","","","","","","","","","","","","","","","","","EU-0091995","","CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC)C","MBFKPAUBOZNSAP-UHFFFAOYSA-N","366976",NA,"PDBC35062","636138","Present"
-"EUPATORIOPICRINE","","","","","","","","","","","","","","","","","","","","EUPATORIOPICRINE","","CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCO)CO)C(=C)C(=O)O2","VWJYWGYJIDQUEG-QBPIEOQLSA-N","5935906",NA,"PDBC35063","295427","Present"
-"EVONINE","","","","","","","","","","","","","","","","","","","","EVONINE","","CC1C(C(=O)OC2C(C(C3(C(C(=O)C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C","IMIAGCONYJPMDY-UHFFFAOYSA-N","327248",NA,"PDBC35064","301491","Present"
-"EWA 4A1","","","","","","","","","","","","","","","","","","","","EWA 4A1","","","","",NA,"PDBC35065","636197","Present"
-"EX-A776","","","","","","","","","","","","","","","","","","","","EX-A776","","CN1CCN(CC1)C(=O)C=CC2=CC=C(O2)[N+](=O)[O-]","QKTRIGNWBRHBFV-DUXPYHPUSA-N","5356520",NA,"PDBC35066","59984","Present"
-"Ebifuramin","","","","","","","","","","","","","","","","","","","","EBIFURAMIN","","CCOC(=O)C1=CNC2=C(C1=O)C=C(O2)C=NN3CC(OC3=O)CN4CCOCC4","KJBJCWYPEPHOKQ-ODCIPOBUSA-N","135429862",NA,"PDBC35067","201047","Present"
-"Eburicoic acid","","","","","","","","","","","","","","","","","","","","Eburicoic acid","","CC(C)C(=C)CCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O","UGMQOYZVOPASJF-UHFFFAOYSA-N","237891",NA,"PDBC35068","41969","Present"
-"Echinocandin B","","","","","","","","","","","","","","","","","","","","Echinocandin B","","CCCCCC=CCC=CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(C)O)C)O)O)O","FAUOJMHVEYMQQG-FWIFIWDMSA-N","54610891",NA,"PDBC35069","287461","Present"
-"Ecteinascidin 729","","","","","","","","","","","","","","","","","","","","Ecteinascidin 729","","CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O","UPGCDKVJPIRNTG-HKGVKFBLSA-N","368263",NA,"PDBC35070","638718","Present"
-"Ecteinascidin 743","","","","","","","","","","","","","","","","","","","","NSC648766","","CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O","PKVRCIRHQMSYJX-XHKCZRNKSA-N","372978",NA,"PDBC35071","648766","Present"
-"Edeine A","","","","","","","","","","","","","","","","","","","","Edeine A(sub1)","","C1=CC(=CC=C1C(CC(=O)NCC(C(=O)NC(CN)C(=O)NC(CCCC(C(CC(=O)NCC(=O)NCCCNCCCCN)O)N)C(=O)O)O)N)O","HENXXJCYASTLGZ-UHFFFAOYSA-N","379085",NA,"PDBC35072","663297","Present"
-"Edelfosine","","","","","","","","","","","","","","","","","","","","edelfosine","","CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC","MHFRGQHAERHWKZ-UHFFFAOYSA-N","1392",NA,"PDBC35073","324368","Present"
-"Eeyarestatin I-E isomer","","","","","","","","","","","","","","","","","","","","Eeyarestatin I (EER-1: N'-(4-chlorophenyl)-N-[3-(4-chlor...","","CC1(C(N(C(=O)N1CC(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)N(C(=O)NC4=CC=C(C=C4)Cl)O)C","JTUXTPWYZXWOIB-LWWHHIEBSA-N","23947580",NA,"PDBC35074","748695","Present"
-"Efinrin leaves extract A","","","","","","","","","","","","","","","","","","","","Efinrin leaves extract A","","","","",NA,"PDBC35075","646137","Present"
-"Ehretinine","","","","","","","","","","","","","","","","","","","","Ehretinine","","CC1CCN2C1C(CC2)OC(=O)C3=CC=C(C=C3)OC","PIRUMYPCEYRZQG-NILFDRSVSA-N","336435",NA,"PDBC35076","350856","Present"
-"EiM07-19590","","","","","","","","","","","","","","","","","","","","EiM07-19590","","CC1(CCC2=CC3=C(C=C2O1)OC(=O)C=C3C4=CC=CC=C4)C","NRLFLYIHMXGJML-UHFFFAOYSA-N","361267",NA,"PDBC35077","624209","Present"
-"EiM07-19672","","","","","","","","","","","","","","","","","","","","EiM07-19672","","CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)C","PYEIFGOINRPFQZ-UHFFFAOYSA-N","371311",NA,"PDBC35078","645385","Present"
-"EiM07-30323","","","","","","","","","","","","","","","","","","","","EiM07-30323","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C5=CC=CC=C5OC4=O)O)O","OGZSNWHXIZDTOX-UHFFFAOYSA-N","54676522",NA,"PDBC35079","686389","Present"
-"EiM07-30327","","","","","","","","","","","","","","","","","","","","EiM07-30327","","CC(C)C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O","HJFQCLUSKVFGHQ-UHFFFAOYSA-N","54677783",NA,"PDBC35080","157307","Present"
-"EiM07-30335","","","","","","","","","","","","","","","","","","","","EiM07-30335","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)O)C4=C(C5=CC=CC=C5OC4=O)O)O","CIFQMYGGABFTLD-UHFFFAOYSA-N","54677992",NA,"PDBC35081","686391","Present"
-"EiM08-08226","","","","","","","","","","","","","","","","","","","","EiM08-08226","","C1=CC=C(C=C1)C(=O)CC2(C3=C(C(=CC=C3)Cl)NC2=O)O","FUMGGMHJSMQEHX-UHFFFAOYSA-N","366641",NA,"PDBC35082","635316","Present"
-"EiM08-08976","","","","","","","","","","","","","","","","","","","","EiM08-08976","","C1=CC=C(C(=C1)C(=O)CC2(C3=CC=CC=C3NC2=O)O)Cl","BAVIXNLNKWAHHG-UHFFFAOYSA-N","359735",NA,"PDBC35083","621181","Present"
-"Ekatetrone","","","","","","","","","","","","","","","","","","","","Ekatetrone","","C1C2=CC3=C(C(=C2C(OC1=O)CC(=O)N)O)C(=O)C4=C(C3=O)C=CC=C4O","QZENCFIHIPLZMU-UHFFFAOYSA-N","100036",NA,"PDBC35084","319478","Present"
-"Elatol","","","","","","","","","","","","","","","","","","","","Elatol","","CC1=C(CC2(CC1)C(=C)CC(C(C2(C)C)Br)O)Cl","HZKGRCIKQBHSNA-KCQAQPDRSA-N","479931",NA,"PDBC35085","785142","Present"
-"Elegin","","","","","","","","","","","","","","","","","","","","LINICHLORINA A","","CC(=C)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CCl)O)O","ONMAQPPVCANFPB-URUZQALBSA-N","182337",NA,"PDBC35086","304940","Present"
-"Elephantopin","","","","","","","","","","","","","","","","","","","","Elephantopin","","CC(=C)C(=O)OC1CC2=CC(CC3(C(O3)C4C1C(=C)C(=O)O4)C)OC2=O","WIQOUTANBFOBPB-KIVXNUBRSA-N","442206",NA,"PDBC35087","100046","Present"
-"Elisabatin B","","","","","","","","","","","","","","","","","","","","Elisabatin B","","CC1=C2C3=C(C=C1)C(=CC(=C3C(=C(C2=O)O)C)C=C(C)C)C","QPEDAMHNYYMCLK-UHFFFAOYSA-N","10637400",NA,"PDBC35088","734921","Present"
-"Elisabatin C","","","","","","","","","","","","","","","","","","","","Elisabatin C","","CC1=CC(=C2C(=C(C(=C3C2=C1C(=O)C=C3C)O)O)C)C=C(C)C","RSNPUVQLPNKBAQ-UHFFFAOYSA-N","404626",NA,"PDBC35089","721054","Present"
-"Elisabethasin A","","","","","","","","","","","","","","","","","","","","Elisabethasin A","","CC1CCC2C(CC(C2(C1=O)C(=O)C(=C)C)C=C(C)C)C","PWDIOLQNQGTASX-SPCJURDBSA-N","392732",NA,"PDBC35090","693538","Present"
-"Elisabethin A","","","","","","","","","","","","","","","","","","","","NSC704380","","CC1CCC2C(CC(C23C1C(=O)C(=C(C3=O)C)O)C=C(C)C)C","QPBAITGYXGUCGL-FKOZTGTQSA-N","397070",NA,"PDBC35091","704380","Present"
-"Elisapterosin A","","","","","","","","","","","","","","","","","","","","Elisapterosin A","","CC1CCC2C(CC3C24C1(C(=O)C5(C(C3C(O5)(C)C)(C4=O)C)O)O)C","QQNWLKBRRNMIGU-BABYDUTCSA-N","404629",NA,"PDBC35092","721057","Present"
-"Ellagic acid","","","","","","","","","","","","","","","","","","","","lagistase","","C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O","AFSDNFLWKVMVRB-UHFFFAOYSA-N","5281855",NA,"PDBC35093","407286","Present"
-"Ellipticine N-oxide","","","","","","","","","","","","","","","","","","","","Ellipticine N-oxide","","CC1=C2C=CN(C=C2C(=C3C1=NC4=CC=CC=C43)C)O","DNDAFFBIWNXNJB-UHFFFAOYSA-N","315033",NA,"PDBC35094","237068","Present"
-"Ellipticine analog","","","","","","","","","","","","","","","","","","","","9 ohe hcl","","CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C.Cl","DLDKVFOKLGPVBT-UHFFFAOYSA-N","148569",NA,"PDBC35095","210717","Present"
-"Ellipticine deriv dmk-I-287A","","","","","","","","","","","","","","","","","","","","ELLIPTICINE DERIV DMK-I-287A","","CCCCC1=C2C3=CC=CC=C3NC2=C(C4=C1C=CN=C4)CCCC","MSSSNMNLQFQICO-UHFFFAOYSA-N","341943",NA,"PDBC35096","376451","Present"
-"Ellipticine derivative","","","","","","","","","","","","","","","","","","","","ELLIPTICINE DERIV SRI-NB-B233-55-29","","CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.CC(=O)[O-]","AYAVXPINCQECJI-UHFFFAOYSA-N","5458841",NA,"PDBC35097","359449","Present"
-"Elliptinium acetate","","","","","","","","","","","","","","","","","","","","Elliptinium Acetate","","CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)C.CC(=O)[O-]","BOMZMNZEXMAQQW-UHFFFAOYSA-N","42722",NA,"PDBC35098","264137","Present"
-"Elsamicin","","","","","","","","","","","","","","","","","","","","elsamicin","","CC1C(C(C(C(O1)OC2C(OC(C(C2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O","MGQRRMONVLMKJL-UHFFFAOYSA-N","5384876",NA,"PDBC35099","369327","Present"
-"Elsinochrome B","","","","","","","","","","","","","","","","","","","","Elsinochrome B","","CC(C1C(C2=C3C4=C1C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC)C(=O)C)O","XOLHPTZQLUNXFP-UHFFFAOYSA-N","495865",NA,"PDBC35100","671196","Present"
-"Elsinochrome C","","","","","","","","","","","","","","","","","","","","Elsinochrome C","","CC(C1C(C2=C3C4=C1C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC)C(C)O)O","ZMNNNJBGHWVPLI-UHFFFAOYSA-N","495866",NA,"PDBC35101","671197","Present"
-"Eltanexor","","","","","","","","","","","","","","","","","","","","KPT-8602","","C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)C=C(C3=CN=CN=C3)C(=O)N","JFBAVWVBLRIWHM-AWNIVKPZSA-N","86345880",NA,"PDBC35102","794443","Present"
-"Elvitegravir","","","","","","","","","","","","","","","","","","","","Elvitegravir","","CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O","JUZYLCPPVHEVSV-IBGZPJMESA-N","44219916",NA,"PDBC35103","762523","Present"
-"Emamectin B1a","","","","","","","","","","","","","","","","","","","","4''-epi-methylamino-4''-deoxyavermectin","","CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C","CXEGAUYXQAKHKJ-NSBHKLITSA-N","11549937",NA,"PDBC35104","781687","Present"
-"Emate","","","","","","","","","","","","","","","","","","","","NSC685426","","CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)N","RVKFQAJIXCZXQY-CBZIJGRNSA-N","127676",NA,"PDBC35105","685426","Present"
-"Emavusertib","","","","","","","","","","","","","","","","","","","","CA-4948","","CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CCC(C5)O)N=C(O4)N6CCOCC6","SJHNWSAWWOAWJH-MRXNPFEDSA-N","118224491",NA,"PDBC35106","824184","Present"
-"Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]carbamate","","CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)CNC(=O)OC(C)(C)C)OC)OC)OC)OC","AVDIGXKFDNTSGD-UHFFFAOYSA-N","270653",NA,"PDBC35107","113238","Present"
-"Emetine, N-(1-carboxyprolyl)-, benzyl ester","","","","","","","","","","","","","","","","","","","","Emetine, N-(1-carboxyprolyl)-, benzyl ester","","CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)C6CCCN6C(=O)OCC7=CC=CC=C7)OC)OC)OC)OC","PLOQAOPTFMOLKS-UHFFFAOYSA-N","266123",NA,"PDBC35108","103248","Present"
-"Emetine, N-tert-butyl ester","","","","","","","","","","","","","","","","","","","","emetine, n-(n-carboxy-l-tryptophyl)-, n-tert-butyl ester","","CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)OC(C)(C)C)OC)OC)OC)OC","DUEWLUKXNJMYIL-UHFFFAOYSA-N","419025",NA,"PDBC35109","109350","Present"
-"Emodin","","","","","","","","","","","","","","","","","","","","emodin","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O","RHMXXJGYXNZAPX-UHFFFAOYSA-N","3220",NA,"PDBC35110","408120","Present"
-"Empesertib","","","","","","","","","","","","","","","","","","","","BAY-1161909","","CC(C1=CC=C(C=C1)F)C(=O)NC2=CC=C(C=C2)C3=CN4C(=NC(=N4)NC5=C(C=C(C=C5)S(=O)(=O)C)OC)C=C3","NRJKIOCCERLIDG-GOSISDBHSA-N","71599640",NA,"PDBC35111","787025","Present"
-"Emtricitabine","","","","","","","","","","","","","","","","","","","","Emtricitabine","","C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F","XQSPYNMVSIKCOC-NTSWFWBYSA-N","60877",NA,"PDBC35112","804863","Present"
-"Enamine_000554","","","","","","","","","","","","","","","","","","","","Enamine_000554","","CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CC=C3","RCCZAXFZIZYXOQ-UHFFFAOYSA-N","391238",NA,"PDBC35113","690135","Present"
-"Enamine_001134","","","","","","","","","","","","","","","","","","","","Enamine_001134","","CC1=NC(=C2C3=C(CCCC3)SC2=N1)OC","ANPXAXZITJWZFA-UHFFFAOYSA-N","386694",NA,"PDBC35114","679224","Present"
-"Enamine_001984","","","","","","","","","","","","","","","","","","","","Enamine_001984","","CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3","NXQQGHWARSPUAH-UHFFFAOYSA-N","391234",NA,"PDBC35115","690131","Present"
-"Enamine_003580","","","","","","","","","","","","","","","","","","","","Enamine_003580","","CC1CN=C(S1)NC2=CC=CC=C2OC","OJTALSOHXZUQRZ-UHFFFAOYSA-N","383598",NA,"PDBC35116","672016","Present"
-"Enamine_003644","","","","","","","","","","","","","","","","","","","","Enamine_003644","","CCOC(=O)NC1=C(C2=C(S1)CCCC2)C#N","YOBTVGBWVIVOSH-UHFFFAOYSA-N","386705",NA,"PDBC35117","679235","Present"
-"Enamine_005247","","","","","","","","","","","","","","","","","","","","Enamine_005247","","CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O","WODLXPUSDXNVEF-UHFFFAOYSA-N","362861",NA,"PDBC35118","627267","Present"
-"Enantiomer of PF-4176340","","","","","","","","","","","","","","","","","","","","NSC768071","","CCC1=CNC2=C1C(=NC=N2)N3CCC(C3)(CNC(=O)C4=C(C=C(C=C4)F)F)N","MOZRQQTUYAYCQT-HXUWFJFHSA-N","23725157",NA,"PDBC35119","768071","Present"
-"Enasidenib","","","","","","","","","","","","","","","","","","","","Enasidenib","","CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O","DYLUUSLLRIQKOE-UHFFFAOYSA-N","89683805",NA,"PDBC35120","788120","Present"
-"Encyclan","","","","","","","","","","","","","","","","","","","","encyclan","","CC1=C(C2C(O1)N(C3=CC=CC=C3N2)C)C(=O)OC4CC5CCC4(C5(C)C)C","DZCIUYJBFWBQJD-UHFFFAOYSA-N","378680",NA,"PDBC35121","695643","Present"
-"Endalin","","","","","","","","","","","","","","","","","","","","2',3'-DIDEOXY-5-FLUOROCYTIDINE","","C1CC(OC1CO)N2C=C(C(=NC2=O)N)F","QBEIABZPRBJOFU-UHFFFAOYSA-N","355450",NA,"PDBC35122","609067","Present"
-"Endo-4-Bicyclo(2.2.1)hept-5-en-2-yl-3-buten-2-one","","","","","","","","","","","","","","","","","","","","Endo-4-Bicyclo(2.2.1)hept-5-en-2-yl-3-buten-2-one","","CC(=O)C=CC1CC2CC1C=C2","PJNSTJMFXBGTIM-RQOWECAXSA-N","5387116",NA,"PDBC35123","620527","Present"
-"Endoxifen","","","","","","","","","","","","","","","","","","","","Z-Endoxifen///e/z-endoxifen///z-endoxifen hydrochloride","","CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3","MHJBZVSGOZTKRH-IZHYLOQSSA-N","10090750",NA,"PDBC35124","749798///777380///750393","Present"
-"Endoxifen, (E)-","","","","","","","","","","","","","","","","","","","","e-endoxifen","","CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3","MHJBZVSGOZTKRH-OCOZRVBESA-N","3035980",NA,"PDBC35125","750182","Present"
-"Enhygrofungin","","","","","","","","","","","","","","","","","","","","scopofungin","","CC1C=CC=CC(C(C(CC(CC(CC2CC(C(C(O2)(CC(CCCC(C(C(C(C(C(C=CC(C(C(=O)OC1C(C)CC(C)CCCC=CCCCN(C)C(=N)N)C)O)C)O)C)O)C)O)O)O)O)O)OC(=O)CC(=O)O)O)O)C)O","RSODTZFJSFMTPQ-NBURPXERSA-N","9963519",NA,"PDBC35126","107041","Present"
-"Enigmol","","","","","","","","","","","","","","","","","","","","s,s,s-enigmol","","CCCCCCCCCCCCCC(CC(C(C)N)O)O","CILLLUONWCSDCK-BZSNNMDCSA-N","11415391",NA,"PDBC35127","740932","Present"
-"Enmein-3-acetate","","","","","","","","","","","","","","","","","","","","ENMEIN-3-ACETATE","","CC(=O)OC1CC2C3(COC(C3C1(C)C)O)C4CCC5CC4(C(=O)C5=C)C(=O)O2","MWJMINDXYBAFMN-CIRVQHMCSA-N","323628",NA,"PDBC35128","285658","Present"
-"Enopeptin A","","","","","","","","","","","","","","","","","","","","Enopeptin A","","CC1CC2C(=O)OCC(C(=O)N3CCCC3C(=O)N(C(C(=O)NC(C(=O)N2C1)C)C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C=CC=CC=CC=CC=CC(=O)NC5=C(CCC5=O)O","ODKIYTBYJKALOK-CBLZGNHYSA-N","5467636",NA,"PDBC35129","657143","Present"
-"Enopeptin B","","","","","","","","","","","","","","","","","","","","Enopeptin B","","CC1C(=O)N2CCCC2C(=O)OCC(C(=O)N3CCCC3C(=O)N(C(C(=O)N1)C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C=CC=CC=CC=CC=CC(=O)NC5=C(CCC5=O)O","UAWJLNYXJARQTG-CFPYWZBLSA-N","5467637",NA,"PDBC35130","657144","Present"
-"Enpiroline","","","","","","","","","","","","","","","","","","","","(+/-)-2R, 3S-Piperidin-2-yl{2-(trifluoromethyl)-6-[4-(tr...","","C1CCNC(C1)C(C2=CC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O","OCVRKDMRZFCUEE-UHFFFAOYSA-N","328144",NA,"PDBC35131","305798","Present"
-"Ensartinib","","","","","","","","","","","","","","","","","","","","ensartinib","","CC1CN(CC(N1)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C(=C3)OC(C)C4=C(C=CC(=C4Cl)F)Cl)N","GLYMPHUVMRFTFV-QLFBSQMISA-N","56960363",NA,"PDBC35132","793150","Present"
-"Ent-12 beta,17-dihydroxy-16-ketobeyeran-19-oic acid","","","","","","","","","","","","","","","","","","","","ent-12 beta,17-dihydroxy-16-ketobeyeran-19-oic acid","","CC12CCCC(C1CCC34C2CC(C(C3)(C(=O)C4)CO)O)(C)C(=O)O","ZBYFDMJURKQXPY-NUZLEAHVSA-N","24206040",NA,"PDBC35133","737771","Present"
-"Ent-13,17-dihydroxy-kaur-15-en-19-oic acid","","","","","","","","","","","","","","","","","","","","ent-13,17-dihydroxy-kaur-15-en-19-oic acid","","CC12CCCC(C1CCC34C2CCC(C3)(C(=C4)CO)O)(C)C(=O)O","WRLUJPRCRXEDCU-HFQBERHNSA-N","24206041",NA,"PDBC35134","737772","Present"
-"Ent-13,17-trihydroxy-kauran-19-oic acid","","","","","","","","","","","","","","","","","","","","ent-13,16alph,17-trihydroxy-kauran-19-oic acid","","CC12CCCC(C1CCC34C2CCC(C3)(C(C4)(CO)O)O)(C)C(=O)O","BRULLYCOZJRREB-AGZGMGQRSA-N","45027908",NA,"PDBC35135","740056","Present"
-"Ent-17-hydroxy-16-ketobeyeran-19-oic acid","","","","","","","","","","","","","","","","","","","","ent-17-hydroxy-16-ketobeyeran-19-oic acid","","CC12CCCC(C1CCC34C2CCC(C3)(C(=O)C4)CO)(C)C(=O)O","AHYPILJMTQMLLD-PRHLUYCLSA-N","24206042",NA,"PDBC35136","737773","Present"
-"Ent-1b,17-dihydroxy-16-ketobeyeran-19-oic acid","","","","","","","","","","","","","","","","","","","","ent-1b,17-dihydroxy-16-ketobeyeran-19-oic acid","","CC1(CCC(C2(C1CCC34C2CCC(C3)(C(=O)C4)CO)C)O)C(=O)O","YOSYVBLVJBQEMG-NUZLEAHVSA-N","24206043",NA,"PDBC35137","737774","Present"
-"Ent-9,17-dihydroxy-16-ketobeyeran-19-oic acid","","","","","","","","","","","","","","","","","","","","ent-9,17-dihydroxy-16-ketobeyeran-19-oic acid","","CC1(CCCC2(C1CCC34C2(CCC(C3)(C(=O)C4)CO)O)C)C(=O)O","ZYHZNGUCLQZBOS-VGJWLYQPSA-N","45027905",NA,"PDBC35138","740053","Present"
-"Ent-9a,16,17-tetrahydroxykauran-19-oic acid","","","","","","","","","","","","","","","","","","","","ent-9a,13,16,17- tetrahydroxykauran-19-oic acid","","CC1(CCCC2(C1CCC34C2(CCC(C3)(C(C4)(CO)O)O)O)C)C(=O)O","XAHMWOYTXWHWKU-YSUSGPSWSA-N","54612717",NA,"PDBC35139","740055","Present"
-"Ent-9a,17-epoxy-kauran-19-oic acid","","","","","","","","","","","","","","","","","","","","ent-9a,13-dihydroxy-16,17-epoxy-kauran-19-oic acid","","CC1(CCCC2(C1CCC34C2(CCC(C3)(C5(C4)CO5)O)O)C)C(=O)O","YPCIKXMTKJCYQR-UPMSZIAASA-N","45027906",NA,"PDBC35140","740054","Present"
-"Entilin A","","","","","","","","","","","","","","","","","","","","Entilin A","","CC1=CC(C2C3(C1(OC45C3OC6(CC4C(CC(C5)(O2)O)(C(O6)C7=COC=C7)C)C(C)C)O)O)(C)C","KZWNXTXHYLZATQ-KEEQMDQRSA-N","5469123",NA,"PDBC35141","683481","Present"
-"Entilin B","","","","","","","","","","","","","","","","","","","","Entilin B","","CC1=CC(C2C3(C1(OC45C3OC6(CC4C(CC(C5)(O2)O)(C(O6)C7=COC=C7)C)C(C)C)O)OC(=O)C)(C)C","MQGQZGHRAMJAAF-GBYJIVAESA-N","5469124",NA,"PDBC35142","683482","Present"
-"Entrectinib","","","","","","","","","","","","","","","","","Entrectinib","","","Entrectinib///NMS-E628","","","","25141092",NA,"PDBC35143","800095///774769","Present"
-"Enviroxime","","","","","","","","","","","","","","","","","","","","Enviroxime","","CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=NO)C3=CC=CC=C3)N=C1N","IWKXBHQELWQLHF-CAPFRKAQSA-N","5748733",NA,"PDBC35144","346230","Present"
-"Epacadostat","","","","","","","","","","","","","","","","","","","","INCB-024360","","C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F","FBKMWOJEPMPVTQ-UHFFFAOYSA-N","135564890",NA,"PDBC35145","785497","Present"
-"Epertinib","","","","","","","","","","","","","","","","","","","","S-222611","","CC#CC(=NOCC1COCCN1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","IBCIAMOTBDGBJN-NRLRZRKLSA-N","46701811",NA,"PDBC35146","804521","Present"
-"EphB1-IN-10","","","","","","","","","","","","","","","","","","","","NSC801470","","COC1=CC=CC(=C1)NC2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","KAPOOVWPVJRQQM-UHFFFAOYSA-N","154723884",NA,"PDBC35147","801470","Present"
-"Epi-dehydroabietic acid","","","","","","","","","","","","","","","","","","","","epi-dehydroabietic acid","","CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C","NFWKVWVWBFBAOV-SXLOBPIMSA-N","1761729",NA,"PDBC35148","730999","Present"
-"Epi-okinonellin B","","","","","","","","","","","","","","","","","","","","Epi-okinonellin B","","CC1C(C(OC1=O)CC(=C)CCCC(=CC=CC(C)CCCC2=COC=C2)C)O","RJBUJQUSGFZAMF-BDUTYPNISA-N","5470432",NA,"PDBC35149","701650","Present"
-"Epiamastatin hydrochloride","","","","","","","","","","","","","","","","","","","","Epiamastatin hydrochloride","","CC(C)CC(C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)O)N.Cl","GBDUPCKQTDKNLS-TXUMRZAQSA-N","24203251",NA,"PDBC35150","727368","Present"
-"Epiaschantin","","","","","","","","","","","","","","","","","","","","Epiaschantin","","COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5","ONDWGDNAFRAXCN-HMRZPLOASA-N","374872",NA,"PDBC35151","653384","Present"
-"Epicorazine A","","","","","","","","","","","","","","","","","","","","Epicorazine A","","C1C2C(C(C=CC2=O)O)N3C14C(=O)N5C6C(CC5(C3=O)SS4)C(=O)C=CC6O","RCODXLGTKJXDNC-UHFFFAOYSA-N","155232",NA,"PDBC35152","287069","Present"
-"Epidoxoform","","","","","","","","","","","","","","","","","","","","Epidoxoform","","CC1C2C(CC(O1)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)CO)O)N7CN(CO2)C8CC(OC(C8OC7)C)OC9CC(CC1=C9C(=C2C(=C1O)C(=O)C1=C(C2=O)C(=CC=C1)OC)O)(C(=O)CO)O","LNMUJUHEUYMBOT-BCNYZFJLSA-N","395188",NA,"PDBC35153","699491","Present"
-"Epigallocatechin","","","","","","","","","","","","","","","","","","","","Epigallocatechin","","C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O","XMOCLSLCDHWDHP-IUODEOHRSA-N","72277",NA,"PDBC35154","674039","Present"
-"Epipachysamine-E-5-en-4-one","","","","","","","","","","","","","","","","","","","","Epipachysamine-E-5-en-4-one","","CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4=O)NC(=O)C=C(C)C)C)C)NC","CLUQFEVBBPGSGA-BGHBZWCOSA-N","54612859",NA,"PDBC35155","748911","Present"
-"Episesartemin A","","","","","","","","","","","","","","","","","","","","EPISESARTEMIN A","","COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC)OC","DHWUVPPRBIJJKS-MDOOXIRGSA-N","342739",NA,"PDBC35156","380472","Present"
-"Epothilon A and Epothilon B (4:1 mixture)","","","","","","","","","","","","","","","","","","","","Epothilon A and Epothilon B (4:1 mixture)","","CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C.CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C","DQKQNUZTSQSGPV-JJJQTZHHSA-N","54608765",NA,"PDBC35157","670547","Present"
-"Epoxy-chiromodine","","","","","","","","","","","","","","","","","","","","Epoxy-chiromodine","","CC12CCC(C(C1CCC3C2(O3)C)(C)CC(=O)C4=COC=C4)C(=O)OC","DCCBVOUCNYLYEK-VTHJUZLRSA-N","6712084",NA,"PDBC35158","655737","Present"
-"Epoxyazadiradione","","","","","","","","","","","","","","","","","","","","Epoxyazadiradione","","CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)C(C5(CC3)C)C6=COC=C6)C)C)(C)C","NEYCGDYQBQONFC-UPSRQKFMSA-N","6711768",NA,"PDBC35159","640467","Present"
-"Epoxydon","","","","","","","","","","","","","","","","","","","","epoxydon","","C1=C(C(=O)C2C(C1O)O2)CO","VTLJDPHPVHSVGR-QXRNQMCJSA-N","72629",NA,"PDBC35160","93049","Present"
-"Epoxyeunicin-1","","","","","","","","","","","","","","","","","","","","Epoxyeunicin-1","","CC1CCCC2(C(O2)CCC(C3CC4C(C1O3)OC(=O)C4=C)(C)O)C","LSAXPYWLQSDPDY-DBMMBSAXSA-N","6712371",NA,"PDBC35161","678002","Present"
-"Epoxypiperazine","","","","","","","","","","","","","","","","","","","","epoxypiperazine","","C1CN(CCN1CC2CO2)CC3CO3","XNWUTCRFGMBUOP-UHFFFAOYSA-N","98074",NA,"PDBC35162","74437","Present"
-"Epoxypiperolide","","","","","","","","","","","","","","","","","","","","Epoxypiperolide","","COC1=CC(=O)OC1=C(C2C(O2)C3=CC=CC=C3)OC","RTNGMIUMJUOABT-YPKPFQOOSA-N","3003852",NA,"PDBC35163","146360","Present"
-"Erbium;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione","","","","","","","","","","","","","","","","","","","","Erbium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-...","","CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Er]","ZPORHVZNIJVNGC-UHFFFAOYSA-N","425551",NA,"PDBC35164","174894","Present"
-"Erbstatin","","","","","","","","","","","","","","","","","","","","ERBSTATIN","","C1=CC(=C(C=C1O)C=CNC=O)O","SIHZWGODIRRSRA-ONEGZZNKSA-N","5328552",NA,"PDBC35165","610187","Present"
-"Eremanthin","","","","","","","","","","","","","","","","","","","","Eremanthin","","CC1=CCC2C(C3C1CCC3=C)OC(=O)C2=C","BWRZDLYJNURUHS-XUXIUFHCSA-N","100572",NA,"PDBC35166","321215","Present"
-"Eremantholide B","","","","","","","","","","","","","","","","","","","","Eremantholide B","","CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)C)C)C)O","ABLNQMKQYJQVRR-YFHOEESVSA-N","5478094",NA,"PDBC35167","380721","Present"
-"Eremantholide C","","","","","","","","","","","","","","","","","","","","Eremantholide C","","CC1=CC2C3C(CC4(C(=O)C=C1O4)C)OC(C3(C(=O)O2)C)(C(=C)C)O","YEIAHHGCPUIGOQ-UEUWLQARSA-N","5468332",NA,"PDBC35168","669146","Present"
-"Ergocornin","","","","","","","","","","","","","","","","","","","","Ergocornin","","CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O","UJYGDMFEEDNVBF-UHFFFAOYSA-N","3067",NA,"PDBC35169","407316","Present"
-"Ergocristine, dihydro-","","","","","","","","","","","","","","","","","","","","ERGOCRISTINE, DIHYDRO-","","CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C","DEQITUUQPICUMR-UHFFFAOYSA-N","3065",NA,"PDBC35170","409663","Present"
-"Ergosterol","","","","","","","","","","","","","","","","","","","","Ergosterol","","CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C","DNVPQKQSNYMLRS-FPLPWBNLSA-N","5351178",NA,"PDBC35171","62791","Present"
-"Ergotamin","","","","","","","","","","","","","","","","","","","","Ergotamin","","CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C","XCGSFFUVFURLIX-UHFFFAOYSA-N","3251",NA,"PDBC35172","95090","Present"
-"Eribulin mesilate","","","","","","","","","","","","","","","","","","","","Eribulin mesilate","","CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O.CS(=O)(=O)O","QAMYWGZHLCQOOJ-YALCGNLISA-N","54611489",NA,"PDBC35173","707389","Present"
-"Erie Fast Blue RL","","","","","","","","","","","","","","","","","","","","Erie Fast Blue RL","","C1=CC=C2C(=C1)C(=CC=C2N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)O)N)O)S(=O)(=O)O)N=NC7=CC8=C(C=C(C=C8C=C7)S(=O)(=O)O)S(=O)(=O)O.[Na+]","HDSBLCHSGNZXRB-UHFFFAOYSA-N","135534293",NA,"PDBC35174","71234","Present"
-"Erie Yellow S5GP","","","","","","","","","","","","","","","","","","","","Erie Yellow S5GP","","C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O.[Na+]","BUOLIQAIYDAVCX-HZEKIOHSSA-N","54598501",NA,"PDBC35175","33668","Present"
-"Eriocalyxin B","","","","","","","","","","","","","","","","","","","","Eriocalyxin B","","CC1(C=CC(=O)C23C1C(C(C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)C","RTIKCEKESDRWAE-OADCIBGSSA-N","367620",NA,"PDBC35176","637462","Present"
-"Eriodictyol tetraacetate","","","","","","","","","","","","","","","","","","","","Eriodictyol tetraacetate","","CC(=O)OC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)OC(=O)C","ZDLMCGHYUROZBQ-UHFFFAOYSA-N","369614",NA,"PDBC35177","641525","Present"
-"Eriodyctiol (flavanone)","","","","","","","","","","","","","","","","","","","","Eriodyctiol (flavanone)","","C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O","SBHXYTNGIZCORC-CYBMUJFWSA-N","373261",NA,"PDBC35178","649412","Present"
-"Eriofertin","","","","","","","","","","","","","","","","","","","","eriofertin","","CC=C(C)C(=O)OC1CC(=CC(CC(=CC2C1C(=C)C(=O)O2)C)O)CO","LMMIAIJOVZTZBV-MRQAVUBBSA-N","5926441",NA,"PDBC35179","283440","Present"
-"Eriofertopin","","","","","","","","","","","","","","","","","","","","Eriofertopin","","CC1=CC2C(C(CC(=CC(C1)O)CO)OC(=O)C(=C)C)C(=C)C(=O)O2","PFYGZFNFCAIMPK-NBPRNCBBSA-N","5916520",NA,"PDBC35180","283439","Present"
-"Erioflorin","","","","","","","","","","","","","","","","","","","","Erioflorin","","CC1=CC2C(C(CC3(C(O3)CC1O)C)OC(=O)C(=C)C)C(=C)C(=O)O2","BUIOBTSUIYLOKG-VKGAXADOSA-N","5382553",NA,"PDBC35181","144151","Present"
-"Eriolangin","","","","","","","","","","","","","","","","","","","","Eriolangin","","CC=C(C)C(=O)OC1C2C(CC(=C1C(C)CCCO)CO)OC(=O)C2=C","FCDRLRIIZKINNV-WLHXTXINSA-N","5281445",NA,"PDBC35182","182855","Present"
-"Eriostemoic acid","","","","","","","","","","","","","","","","","","","","eriostemoic acid","","CC1(C=CC2=C3C(=C(C(=C2O1)CCC(=O)O)OC)C=CC(O3)(C)C)C","KSLHMLXPQDTMJX-UHFFFAOYSA-N","256519",NA,"PDBC35183","83436","Present"
-"Erk-IN-3","","","","","","","","","","","","","","","","","","","","ASN-007","","CC1=CN=C(N=C1N2C=C(N=C2)C(=O)NC(CN)C3=CC(=CC(=C3)Cl)F)NC4CCOCC4","PWHIUQBBGPGFFV-GOSISDBHSA-N","124122366",NA,"PDBC35184","828319","Present"
-"Ermanin","","","","","","","","","","","","","","","","","","","","3,4'-dimethoxychrysin","","COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC","RJCJVIFSIXKSAH-UHFFFAOYSA-N","5352001",NA,"PDBC35185","31882","Present"
-"Erucic acid","","","","","","","","","","","","","","","","","","","","erucic acid","","CCCCCCCCC=CCCCCCCCCCCCC(=O)O","DPUOLQHDNGRHBS-KTKRTIGZSA-N","5281116",NA,"PDBC35186","6814","Present"
-"Erybraedin A","","","","","","","","","","","","","","","","","","","","Erybraedin A","","CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4CC=C(C)C)O)O)C","HOGHBEDTLGAJAS-UHFFFAOYSA-N","362562",NA,"PDBC35187","626645","Present"
-"Erythritol aziridine","","","","","","","","","","","","","","","","","","","","erythritol aziridine","","C1CN1CC(C(CN2CC2)O)O","COMAQBNTHGBLNQ-OCAPTIKFSA-N","234991",NA,"PDBC35188","35915","Present"
-"Erythrolide A","","","","","","","","","","","","","","","","","","","","Erythrolide A","","CC1C(=O)OC2C1(C(C3C4(C(C4C(=O)C3(C)OC(=O)C)C=CC(C(=C)C2Cl)OC(=O)C)C)OC(=O)C)O","JXKSDXDFYWNQBA-FSVOHVGESA-N","6712592",NA,"PDBC35189","699118","Present"
-"Erythrosin B","","","","","","","","","","","","","","","","","","","","Iodeosin","","C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I","OALHHIHQOFIMEF-UHFFFAOYSA-N","3259",NA,"PDBC35190","328781","Present"
-"Esflurbiprofen","","","","","","","","","","","","","","","","","","","","S-Flurbiprofen","","CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O","SYTBZMRGLBWNTM-JTQLQIEISA-N","72099",NA,"PDBC35191","685700","Present"
-"Estra-1,4-diene-3,17-dione, 10-hydroxy-","","","","","","","","","","","","","","","","","","","","10.beta.-Hydroxyestra-1,3-dien-3,17-dione","","CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34O","RVUDOXUDSXVAEV-FTAMUGHTSA-N","395704",NA,"PDBC35192","700499","Present"
-"Estradiol-17-phenylpropionate","","","","","","","","","","","","","","","","","","","","LS956OGN6U","","CC12CCC3C(C1CCC2OC(=O)CCC4=CC=CC=C4)CCC5=C3C=CC(=C5)O","LQWSQQKTZLDGME-RYIFMDQWSA-N","68577",NA,"PDBC35193","26645","Present"
-"Esulatin A","","","","","","","","","","","","","","","","","","","","Esulatin A","","CC1C2C(O2)C(C(C(C(C(=C)C(C3C(C(CC3(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C(C)C)OC(=O)C)OC(=O)C)(C)C","QLMXVPKQTUZUIB-WXRBLWNSSA-N","6712418",NA,"PDBC35194","682342","Present"
-"Et ester prodigisoene","","","","","","","","","","","","","","","","","","","","Et ester prodigisoene","","CCOC1=C(NC(=C1)C2=CC=CN2)C=C3C(=C(C(=N3)C)C(=O)OC)C","JYBJHILCJYZCGV-ZROIWOOFSA-N","155805076",NA,"PDBC35195","755117","Present"
-"Etamycin","","","","","","","","","","","","","","","","","","","","etamycin","","CC1C(C(=O)NC(C(=O)N2CC(CC2C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C3=CC=CC=C3)C)C)C(C)C(C)C)C)C)O)CC(C)C)NC(=O)C4=C(C=CC=N4)O","SATIISJKSAELDC-UHFFFAOYSA-N","417256",NA,"PDBC35196","88468","Present"
-"Etazolate hydrochloride","","","","","","","","","","","","","","","","","","","","etazolate hydrochloride(usan)","","CCN1C2=NC=C(C(=C2C=N1)NN=C(C)C)C(=O)OCC.Cl","GQJUGJHJUZSJLZ-UHFFFAOYSA-N","37274",NA,"PDBC35197","163611","Present"
-"Etc-159","","","","","","","","","","","","","","","","","","","","ETC-159","","CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4","QTRXIFVSTWXRJJ-UHFFFAOYSA-N","86280523",NA,"PDBC35198","809251","Present"
-"Ethacizine","","","","","","","","","","","","","","","","","","","","Ethacizin","","CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC","PQXGNJKJMFUPPM-UHFFFAOYSA-N","107841",NA,"PDBC35199","621878","Present"
-"Ethacridine lactate","","","","","","","","","","","","","","","","","","","","akron///ETHACRIDINE LACTATE","","CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O","IYLLULUTZPKQBW-UHFFFAOYSA-N","15789",NA,"PDBC35200","36333///758932","Present"
-"Ethallobarbital","","","","","","","","","","","","","","","","","","","","Aethallymal","","CCC1(C(=O)NC(=O)NC1=O)CC=C","QPADNTZLUBYNEN-UHFFFAOYSA-N","48542",NA,"PDBC35201","32312","Present"
-"Ethamoxytriphetol","","","","","","","","","","","","","","","","","","","","ethamoxytriphetol","","CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O","KDYQVUUCWUPJGE-UHFFFAOYSA-N","6222",NA,"PDBC35202","19857","Present"
-"Ethanamine, N,N-diethyl-2-[(7-nitro-1H-benzimidazol-2-yl)thio]-","","","","","","","","","","","","","","","","","","","","Ethanamine, N,N-diethyl-2-[(7-nitro-1H-benzimidazol-2-yl)thio]-","","CCN(CC)CCSC1=NC2=C(N1)C=CC=C2[N+](=O)[O-]","VWERVDKGXBMDRV-UHFFFAOYSA-N","364068",NA,"PDBC35203","629707","Present"
-"Ethanamine,4-dichlorophenyl)cyclohexyl] methoxy]ethoxy]-N,N-diethyl-with 1,2,3-propanetricarboxylic acid, 2-hydroxy-(citric acid)","","","","","","","","","","","","","","","","","","","","Ethanamine, 2-[2-[[1-(3,4-dichlorophenyl)cyclohexyl] met...","","CCN(CC)CCOCCOCC1(CCCCC1)C2=CC(=C(C=C2)Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","CNHDWRSRGZTBII-UHFFFAOYSA-N","398119",NA,"PDBC35204","707486","Present"
-"Ethane-1,2-diamine;2-morpholin-4-ylacetate;platinum(4+);hydroxide","","","","","","","","","","","","","","","","","","","","Ethane-1,2-diamine;2-morpholin-4-ylacetate;platinum(4+);hydroxide","","C1COCCN1CC(=O)[O-].C(CN)N.[OH-].[Pt+4]","QMICHRDRYXHOMQ-UHFFFAOYSA-L","24202556",NA,"PDBC35205","688514","Present"
-"Ethane-1,2-diylbis(phenylphosphinic acid)","","","","","","","","","","","","","","","","","","","","Ethane-1,2-diylbis(phenylphosphinic acid)","","C1=CC=C(C=C1)P(=O)(CCP(=O)(C2=CC=CC=C2)O)O","FYLYSEXHKNLCOF-UHFFFAOYSA-N","348520",NA,"PDBC35206","407882","Present"
-"Ethane;pentane-2,4-dione;thallium(3+)","","","","","","","","","","","","","","","","","","","","NSC644932","","C[CH2-].C[CH2-].CC(=O)[CH-]C(=O)C.[Tl+3]","GFBJTRZVTGVKND-UHFFFAOYSA-N","371040",NA,"PDBC35207","644932","Present"
-"Ethanediamide, N1-[4-chloro-2-(trifluoromethyl)phenyl]-N2-(2-mercapto-4-oxo-3(4H)-quinazolinyl)-","","","","","","","","","","","","","","","","","","","","Ethanediamide, N1-[4-chloro-2-(trifluoromethyl)phenyl]-N2-(2-mercapto-4-oxo-3(4H)-quinazolinyl)-","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F","JYUCHGILZFOTDM-UHFFFAOYSA-N","3003533",NA,"PDBC35208","648618","Present"
-"Ethanedioic acid der.","","","","","","","","","","","","","","","","","","","","Ethanedioic acid, dihydrazide, [2-(4-chlorophenyl)-2-cya...","","C1=CC(=CC=C1C(C#N)C(=NNC(=O)C(=O)NN)C(=O)NC2=NC(=CS2)[N+](=O)[O-])Cl","XDEORQNYMMPXRQ-JJFYIABZSA-N","6386560",NA,"PDBC35209","632015","Present"
-"Ethanedioic acid, 2-acetyl-1,2,3,4-tetrahydro-1,4-diphenyl-1,4-epoxynaphthalen-2-yl methyl ester","","","","","","","","","","","","","","","","","","","","Ethanedioic acid, 2-acetyl-1,2,3,4-tetrahydro-1,4-diphenyl-1,4-epoxynaphthalen-2-yl methyl ester","","CC(=O)C1(CC2(C3=CC=CC=C3C1(O2)C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C(=O)OC","BUCYCYBQXGGILI-UHFFFAOYSA-N","363100",NA,"PDBC35210","627670","Present"
-"Ethanedione, di-3-pyridinyl-","","","","","","","","","","","","","","","","","","","","3,3'-Pyridil","","C1=CC(=CN=C1)C(=O)C(=O)C2=CN=CC=C2","WKQMLIVNOYGANQ-UHFFFAOYSA-N","260384",NA,"PDBC35211","91516","Present"
-"Ethanesulfon-m-anisidide,5-dimethyl-9-acridinyl)-, monomethanesulfonate","","","","","","","","","","","","","","","","","","","","Ethanesulfon-m-anisidide, 4'-(4,5-dimethyl-9-acridinyl)-...","","CCS(=O)(=O)NC1=CC=CC(=C1OC)NC2=C3C=CC=C(C3=NC4=C(C=CC=C42)C)C.CS(=O)(=O)O","RFBLEYQVKVJCJV-UHFFFAOYSA-N","423984",NA,"PDBC35212","159862","Present"
-"Ethanesulfonic acid, compd. with 2-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy)acetanilide (1:1)","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 2-(2-chloro-4-(4,6-diam...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)Cl)N)N)C","DXYCOKAYFVIPKM-UHFFFAOYSA-N","280518",NA,"PDBC35213","132275","Present"
-"Ethanesulfonic acid, compd. with 2-[m-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl]acetanilide (1:1)","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 2-[m-(4,6-diamino-2,2-d...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CC(=O)NC3=CC=CC=C3)N)N)C","TVJRMLVXDDEHRJ-UHFFFAOYSA-N","283277",NA,"PDBC35214","137765","Present"
-"Ethanesulfonic acid, compd. with 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzonitrile (1:1)","","","","","","","","","","","","","","","","","","","","benzonitrile, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)C#N)N)N)C","BEXADWZFDUORTG-UHFFFAOYSA-N","271920",NA,"PDBC35215","115928","Present"
-"Ethanesulfonic acid,6-diamino-1,2-dihydro-2,2-dimethyl-1-[p-(4-phenylbutyl)phenyl]-s-triazine (1:1)","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 1,6-dihydro-6,6-dimethy...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC=CC=C3)N)N)C","YNOYRPQXODTDCZ-UHFFFAOYSA-N","54606350",NA,"PDBC35216","132277","Present"
-"Ethanesulfonic acid,6-diamino-1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-1,2-dihydro-2,2-dimethyl-s-triazine (1:1)","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 1-[3-chloro-4-(3-phenox...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCOC3=CC=CC=C3)Cl)N)N)C","FRSSRWCJBPVFBD-UHFFFAOYSA-N","280859",NA,"PDBC35217","133071","Present"
-"Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)-m-hydrocinnamotoluidide (1:1)","","","","","","","","","","","","","","","","","","","","Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dime...","","CCS(=O)(=O)O.CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N","YRTICFNDRFHBGX-UHFFFAOYSA-N","280861",NA,"PDBC35218","133072","Present"
-"Ethanesulfonic acid-4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)benzenesulfonyl fluoride(1:1)","","","","","","","","","","","","","","","","","","","","Benzenesulfonyl fluoride, 4-[[3-[4-(4,6-diamino-2,2-dime...","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C","KNAMCNUIADWWBO-UHFFFAOYSA-N","270635",NA,"PDBC35219","113220","Present"
-"Ethanesulfonic acid-4-{6-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]hexyl}benzenesulfonyl fluoride(1:1)","","","","","","","","","","","","","","","","","","","","4-[6-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]hexyl]benzenesulfonyl fluoride;ethanesulfonic acid","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCCCC3=CC=C(C=C3)S(=O)(=O)F)N)N)C","BXJIWPORCRDALH-UHFFFAOYSA-N","280526",NA,"PDBC35220","132279","Present"
-"Ethanethiol, 2-(5-cyclohexylpentyl)amino-, hydrogen sulfate (ester)","","","","","","","","","","","","","","","","","","","","Thiosulfuric acid (H2S2O3), -[2-[(5-cyclohexylpentyl)ami...","","C1CCC(CC1)CCCCCNCCSS(=O)(=O)O","DKHIPBODAIIIGZ-UHFFFAOYSA-N","96765",NA,"PDBC35221","89074","Present"
-"Ethanethiol, dihydrochloride","","","","","","","","","","","","","","","","","","","","WR-1065","","C(CN)CNCCS.Cl","RRMZODVUMRSYGQ-UHFFFAOYSA-N","54600690",NA,"PDBC35222","345308","Present"
-"Ethanimidamide,7)]dec-1-ylmethyl-, monohydrochloride","","","","","","","","","","","","","","","","","","","","Ethanimidamide, 2-chloro-N-(tricyclo[3.3.1.1(3,7)]dec-1-...","","C1C2CC3CC1CC(C2)(C3)CN=C(CCl)N.Cl","FHUZLMPCRVNWFE-UHFFFAOYSA-N","12470660",NA,"PDBC35223","187546","Present"
-"Ethanimidoyl chloride, N-[[[(4-nitrophenyl)amino]carbonyl]oxy]-","","","","","","","","","","","","","","","","","","","","Ethanimidoyl chloride, N-[[[(4-nitrophenyl)amino]carbony...","","CC(=NOC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])Cl","FUBOKEYHEDZUPI-WUXMJOGZSA-N","5466018",NA,"PDBC35224","672043","Present"
-"Ethanol, 2,2',2'',2'''-(2,6-pyridinediyldinitrilo)tetrakis-","","","","","","","","","","","","","","","","","","","","2-[[6-[Bis(2-hydroxyethyl)amino]-2-pyridyl]-(2-hydroxyethyl)amino]ethanol","","C1=CC(=NC(=C1)N(CCO)CCO)N(CCO)CCO","MZOYUBRWRURLGQ-UHFFFAOYSA-N","361757",NA,"PDBC35225","625023","Present"
-"Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[4-(2,2':6',2""""-terpyridin-4'-yl)phenoxy]-","","C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)OCCO","ITTHDGHSDFMYOE-UHFFFAOYSA-N","368990",NA,"PDBC35226","640499","Present"
-"Ethanol, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)-, 4-nitrobenzoate (ester)","","","","","","","","","","","","","","","","","","","","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl 4-nitrobenzoate","","C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=NCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","IKVOFYHGMOYWBB-UHFFFAOYSA-N","382527",NA,"PDBC35227","670136","Present"
-"Ethanol, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)-, benzoate (ester)","","","","","","","","","","","","","","","","","","","","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl benzoate","","C1=CC=C(C=C1)C(=O)OCCN=C2C3=CC=CC=C3C=CC4=CC=CC=C42","YANJNZAJRMMXON-UHFFFAOYSA-N","382526",NA,"PDBC35228","670135","Present"
-"Ethanol, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)-, phenylcarbamate (ester)","","","","","","","","","","","","","","","","","","","","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl N-phenylcarbamate","","C1=CC=C(C=C1)NC(=O)OCCN=C2C3=CC=CC=C3C=CC4=CC=CC=C42","SOTOUCNBUATWGT-UHFFFAOYSA-N","382520",NA,"PDBC35229","670129","Present"
-"Ethanol, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]-, phenylcarbamate (ester)","","","","","","","","","","","","","","","","","","","","2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-phenylcarbamate","","C1=CC=C(C=C1)NC(=O)OCCN=C2C3=CC=CC=C3C(C(C4=CC=CC=C42)Br)Br","RCAMYZDOHPSKDC-UHFFFAOYSA-N","382523",NA,"PDBC35230","670132","Present"
-"Ethanol, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]-, benzoate (ester)","","","","","","","","","","","","","","","","","","","","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl benzoate","","C1CC2=CC=CC=C2C(=NCCOC(=O)C3=CC=CC=C3)C4=CC=CC=C41","MOEQFLOBVBFJHH-UHFFFAOYSA-N","382524",NA,"PDBC35231","670133","Present"
-"Ethanol, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]-, phenylcarbamate (ester)","","","","","","","","","","","","","","","","","","","","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl N-phenylcarbamate","","C1CC2=CC=CC=C2C(=NCCOC(=O)NC3=CC=CC=C3)C4=CC=CC=C41","BNKRAYJCOSIRNW-UHFFFAOYSA-N","382517",NA,"PDBC35232","670126","Present"
-"Ethanol, 2-[[2-[(2',3'-dihydro-2'-iminospiro[1,3-dioxolane-2,6'-[6H]purin]-9'(1'H)-yl)methoxy]-3-[(4-methylphenyl)thio]propyl]thio]-","","","","","","","","","","","","","","","","","","","","2-[2-[(2'-Aminospiro[1,3-dioxolane-2,6'-3H-purine]-9'-yl)methoxy]-3-(4-methylphenyl)sulfanylpropyl]sulfanylethanol","","CC1=CC=C(C=C1)SCC(CSCCO)OCN2C=NC3=C2NC(=NC34OCCO4)N","YYYNSRJDBKYOOT-UHFFFAOYSA-N","382812",NA,"PDBC35233","670540","Present"
-"Ethanol, 2-[methyl[1-methyl-2-(10H-phenothiazin-1-yl)ethyl]amino]-","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[methyl[1-methyl-2-(10H-phenothiazin-1-yl)ethyl]amino]-","","CC(CC1=C2C(=CC=C1)SC3=CC=CC=C3N2)N(C)CCO","YVMXOTFHWXEJKP-UHFFFAOYSA-N","377565",NA,"PDBC35234","659129","Present"
-"Ethanol, trihydrochloride","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[[2-[4-[3-[2-(trifluoromethyl]-10H-phenothiaz...","","C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCNCCO.Cl","YDCIMHVTVQOUKP-UHFFFAOYSA-N","54598319",NA,"PDBC35235","169676","Present"
-"Ethanol,2'-[[3-methyl-4-[[[4-(2-methyl-4-thiazolyl)phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester), monohydrochloride","","","","","","","","","","","","","","","","","","","","Ethanol, 2,2'-[[3-methyl-4-[[[4-(2-methyl-4-thiazolyl)ph...","","CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=CSC(=N3)C.Cl","VDURMSXGWSWXFG-UHFFFAOYSA-N","24194270",NA,"PDBC35236","166237","Present"
-"Ethanol,2'-[[3-methyl-4-[[[4-[2-(4-propoxyphenyl]-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester)","","","","","","","","","","","","","","","","","","","","Ethanol, 2,2'-[[3-methyl-4-[[[4-[2-(4-propoxyphenyl]-4-t...","","CCCOC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)N=CC4=C(C=C(C=C4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C","NBULMAMEEBHKSZ-UHFFFAOYSA-N","323079",NA,"PDBC35237","281818","Present"
-"Ethanol,2'-[[4-[[(3-chlorophenyl)imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester), monohydrochloride","","","","","","","","","","","","","","","","","","","","Ethanol, 2,2'-[[4-[[(3-chlorophenyl)imino]methyl]phenyl]...","","CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC(=CC=C2)Cl.Cl","KFQGOULRNSNHQS-UHFFFAOYSA-N","24194260",NA,"PDBC35238","166224","Present"
-"Ethanol,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)","","","","","","","","","","","","","","","","","","","","Ethanol, 2,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)ph...","","CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC(=C(C=C2)C3=CSC(=N3)C4=CC=CC=C4)Cl","NKYUHUFTMFORQF-UHFFFAOYSA-N","322932",NA,"PDBC35239","281613","Present"
-"Ethanol,2'-[[4-[[[4-[2-(4-bromophenyl)-4-thiazolyl]phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)","","","","","","","","","","","","","","","","","","","","Ethanol, 2,2'-[[4-[[[4-[2-(4-bromophenyl)-4-thiazolyl]ph...","","CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=CSC(=N3)C4=CC=C(C=C4)Br","KBRGCCAKPJPXER-UHFFFAOYSA-N","323078",NA,"PDBC35240","281817","Present"
-"Ethanol,3,4-trichloro-2-nitro-1,3-butadien-1-yl)amino]-","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[(4-bromo-1,3,4-trichloro-2-nitro- 1,3-butadi...","","C(CO)NC(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])Cl","OKDDJUDWZYVTDG-CIIODKQPSA-N","54608784",NA,"PDBC35241","678034","Present"
-"Ethanol,4-quinazolinediamine (1:2)","","","","","","","","","","","","","","","","","","","","Ethanol, compd. with 6-(2-naphthalenylthio)-2,4-quinazol...","","CCO.C1=CC=C2C=C(C=CC2=C1)SC3=CC4=C(C=C3)N=C(N=C4N)N","KEFLIPWUXAASFO-UHFFFAOYSA-N","16682542",NA,"PDBC35242","305780","Present"
-"Ethanol,8,12-trimethyl-3,7,11-tridecatrienyl)(methyl)amino]-, (E,E)-","","","","","","","","","","","","","","","","","","","","Ethanol, 2-[(4,8,12-trimethyl-3,7,11-tridecatrienyl)(met...","","CC(=CCCC(=CCCC(=CCCN(C)CCO)C)C)C","KRCONAOEGXJNMF-NWLVNBMCSA-N","5470377",NA,"PDBC35243","700514","Present"
-"Ethanolamino isosampangine","","","","","","","","","","","","","","","","","","","","(2-hydroxyethylamino)[?]one","","C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)NCCO","KPUHYSXFTFZNEN-UHFFFAOYSA-N","46854494",NA,"PDBC35244","723393","Present"
-"Ethanolic extract from pancratium maritimum L. bulbs","","","","","","","","","","","","","","","","","","","","Ethanolic extract from pancratium maritimum L. bulbs","","","","",NA,"PDBC35245","654498","Present"
-"Ethanone, 1,1'-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]indene]-4,4'-diyl)bis-","","","","","","","","","","","","","","","","","","","","Ethanone, 1,1'-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]indene]-4,4'-diyl)bis-","","CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)C","DDMIKPVJXHNTNU-UHFFFAOYSA-N","382751",NA,"PDBC35246","670429","Present"
-"Ethanone, 1,1'-(3,3',5,5',6,6',7,7'-octahydro-2,2'(1H,1'H)-spirobi[s-indacene]-4,4'-diyl)bis-","","","","","","","","","","","","","","","","","","","","Ethanone, 1,1'-(3,3',5,5',6,6',7,7'-octahydro-2,2'(1H,1'H)-spirobi[s-indacene]-4,4'-diyl)bis-","","CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)C","HKQNTYQEGLHKLM-UHFFFAOYSA-N","365581",NA,"PDBC35247","633380","Present"
-"Ethanone, 1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-","","","","","","","","","","","","","","","","","","","","Ethanone, 1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-","","CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCCC6=C5","LAKZBSIRIVSSBG-UHFFFAOYSA-N","382748",NA,"PDBC35248","670426","Present"
-"Ethanone, 1-(1-acetylcyclopropyl)-2-diazo-2-(phenylsulfonyl)-","","","","","","","","","","","","","","","","","","","","Ethanone, 1-(1-acetylcyclopropyl)-2-diazo-2-(phenylsulfonyl)-","","CC(=O)C1(CC1)C(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2","MFYLMUGCXROFCS-UHFFFAOYSA-N","373295",NA,"PDBC35249","649447","Present"
-"Ethanone, 1-(3,3',5,5',6,6',7,7'-octahydro-2,2'(1H,1'H)-spirobi[s-indacen]-4-yl)-","","","","","","","","","","","","","","","","","","","","1-(6,6'-Spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-yl)ethanone","","CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCC6=C5","AEGHODTXQFEWBM-UHFFFAOYSA-N","382764",NA,"PDBC35250","670442","Present"
-"Ethanone, 1-(3,6,7-trimethyl-1,4-dioxido-2-quinoxalinyl)-","","","","","","","","","","","","","","","","","","","","Ethanone, 1-(3,6,7-trimethyl-1,4-dioxido-2-quinoxalinyl)-","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C","GPLMTFAZFDEAQA-UHFFFAOYSA-N","359869",NA,"PDBC35251","621484","Present"
-"Ethanone, 1-(7,8,9,10-tetrachloro-6b,7,10,10a-tetrahydro-11,11-dimethoxy-7,10-methanofluoranthen-3-yl)-","","","","","","","","","","","","","","","","","","","","1-(11,12,13,14-Tetrachloro-17,17-dimethoxy-4-pentacyclo[7.6.1.111,14.05,16.010,15]heptadeca-1(16),2,4,6,8,12-hexaenyl)ethanone","","CC(=O)C1=C2C=CC=C3C2=C(C=C1)C4C3C5(C(=C(C4(C5(OC)OC)Cl)Cl)Cl)Cl","IXHXXNHKPPJQPF-UHFFFAOYSA-N","363066",NA,"PDBC35252","627618","Present"
-"Ethanone, 1-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,4-dioxido-2-quinoxalinyl]-","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-3-methylquinoxalin-2-yl-[N-(4-methoxy)phe...","","CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CN3CCN(CC3)C4=CC=C(C=C4)OC","HNIZCIMXGKUFOT-UHFFFAOYSA-N","405221",NA,"PDBC35253","722287","Present"
-"Ethanone, 2-(3,4-dichloro-2,5-dihydro-5-hydroxy-2-furanyl)-1-(3-pyridinyl)-","","","","","","","","","","","","","","","","","","","","Ethanone, 2-(3,4-dichloro-2,5-dihydro-5-hydroxy-2-furanyl)-1-(3-pyridinyl)-","","C1=CC(=CN=C1)C(=O)CC2C(=C(C(O2)O)Cl)Cl","QMESPANNZLBEPE-UHFFFAOYSA-N","366925",NA,"PDBC35254","636089","Present"
-"Ethanone, 2-hydroxy-2-methoxy-1-(3,3',5,5',6,6',7,7'-octahydro-2,2'(1H,1'H)-spirobi[s-indacen]-4-yl)-","","","","","","","","","","","","","","","","","","","","2-Hydroxy-2-methoxy-1-(6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-yl)ethanone","","COC(C(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCC6=C5)O","AMXULNXMTQRAEW-UHFFFAOYSA-N","382766",NA,"PDBC35255","670444","Present"
-"Ethanone,6-dihydro-9-methyl-7H-benzo[h]thiazolo[2,3-b]quinazolin-10-yl]-","","","","","","","","","","","","","","","","","","","","Ethanone, 1-[7-(4-chlorophenyl)-5,6-dihydro-9-methyl- 7H...","","CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC=C(C=C5)Cl)C(=O)C","AISFHTULNVBVHT-UHFFFAOYSA-N","388255",NA,"PDBC35256","682866","Present"
-"Ethaverine hydrochloride","","","","","","","","","","","","","","","","","","","","ETHAVERINE HYDROCHLORIDE","","CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC.Cl","UPUDVKWQBVIKBG-UHFFFAOYSA-N","5702159",NA,"PDBC35257","757818","Present"
-"Ethidium","","","","","","","","","","","","","","","","","","","","Dromilac///HOMIDIUM BROMIDE///ethidium chloride","","CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N","QTANTQQOYSUMLC-UHFFFAOYSA-O","3624",NA,"PDBC35258","268986///758630///84423","Present"
-"Ethoxy(1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Ethoxy(1,4-naphthochinone-2-olato)bis(1-phenylbutane-1,3...","","CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].[Ti+4]","YGMMZKVHDHTBFA-UHFFFAOYSA-M","368054",NA,"PDBC35259","638379","Present"
-"Ethoxy-[1-methyl-1-(methylamino)ethyl]phosphinic acid","","","","","","","","","","","","","","","","","","","","Ethoxy-[1-methyl-1-(methylamino)ethyl]phosphinic acid","","CCOP(=O)(C(C)(C)NC)O","JPKDFENROIPDHP-UHFFFAOYSA-N","385488",NA,"PDBC35260","676737","Present"
-"Ethoxybis(1-phenylbutane-1,3-dionato)stigmasterolatotitanium (IV)","","","","","","","","","","","","","","","","","","","","Ethoxybis(1-phenylbutane-1,3-dionato)stigmasterolatotita...","","CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","AMOCOIHBIRASLX-XZYNVARLSA-N","5388736",NA,"PDBC35261","638380","Present"
-"Ethoxycurcumin tribenzimidazolmethylcarbonte","","","","","","","","","","","","","","","","","","","","Ethoxycurcumin tribenzimidazolmethylcarbonte","","CCOC1=C(C=CC(=C1)C=CC(=O)C(C(=O)CNC2=NC3=CC=CC=C3N2)C(=O)C=CC4=CC(=C(C=C4)OC(=O)CNC5=NC6=CC=CC=C6N5)OCC)OC(=O)CNC7=NC8=CC=CC=C8N7","YJRMBYNUBYFLAN-KSTNYAOJSA-N","45028265",NA,"PDBC35262","742019","Present"
-"Ethoxycurcumin trithiadiazolaminomethylcarbonte","","","","","","","","","","","","","","","","","","","","Ethoxycurcumin trithiadiazolaminomethylcarbonte","","CCOC1=C(C=CC(=C1)C=CC(=O)C(C(=O)CNC2=NN=C(S2)C)C(=O)C=CC3=CC(=C(C=C3)OC(=O)CNC4=NN=C(S4)C)OCC)OC(=O)CNC5=NN=C(S5)C","FQZRCTLOIJPSEI-QHKWOANTSA-N","45028266",NA,"PDBC35263","742020","Present"
-"Ethoxytris(2-methyl-8-chinolineolato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Ethoxytris(2-methyl-8-chinolineolato)titanium(IV)","","CC[O-].CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.[Ti+4]","NPGDPPNQWCACOV-UHFFFAOYSA-K","24202327",NA,"PDBC35264","638844","Present"
-"Ethyl (((((((2-(2-(benzyloxy)-3,4-dioxo-1-cyclobuten-1-yl)hydrazino)acetyl)amino)acetyl)amino)acetyl)amino)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[2-[[2-[[2-[2-(3,4-dioxo-2-phenylmethoxycyclobuten-1-yl)hydrazinyl]acetyl]amino]acetyl]amino]acetyl]amino]acetate","","CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNNC1=C(C(=O)C1=O)OCC2=CC=CC=C2","YXKXIMLUTGGOLL-UHFFFAOYSA-N","388763",NA,"PDBC35265","683841","Present"
-"Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate","","","","","","","","","","","","","","","","","","","","CC 9093","","CCN(C(=O)NCC(=O)OCC)C12CC3CC(C1)CC(C3)C2","PFWGQQSIJBNTDY-UHFFFAOYSA-N","308221",NA,"PDBC35266","208912","Present"
-"Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate","","","","","","","","","","","","","","","","","","","","TfO-CH2COOEt","","CCOC(=O)COS(=O)(=O)C(F)(F)F","QWFJZCGIJRHYDQ-UHFFFAOYSA-N","371745",NA,"PDBC35267","646188","Present"
-"Ethyl ((2,2-dicyano-1-(methylthio)vinyl)amino)acetate","","","","","","","","","","","","","","","","","","","","Ethyl ((2,2-dicyano-1-(methylthio)vinyl)amino)acetate","","CCOC(=O)CNC(=C(C#N)C#N)SC","HNMSYFJYQTWLMW-UHFFFAOYSA-N","361885",NA,"PDBC35268","625230","Present"
-"Ethyl ((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)acetate","","","","","","","","","","","","","","","","","","","","Ethyl ((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)acetate","","CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","VJZPGAICPGGHTL-UHFFFAOYSA-N","381816",NA,"PDBC35269","668889","Present"
-"Ethyl ((2-((2-((3,3-di(1H-imidazol-2-yl)propanoyl)amino)-3-methylpentanoyl)amino)propanoyl)amino)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-[[2-[3,3-bis(1H-imidazol-2-yl)propanoylamino]-3-methylpentanoyl]amino]propanoylamino]acetate","","CCC(C)C(C(=O)NC(C)C(=O)NCC(=O)OCC)NC(=O)CC(C1=NC=CN1)C2=NC=CN2","WAXMJAFIZOBPOG-UHFFFAOYSA-N","382821",NA,"PDBC35270","670557","Present"
-"Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate","","","","","","","","","","","","","","","","","","","","4-(Ethoxycarbonylmethyl)thiouracil","","CCOC(=O)CSC1=CC=NC(=O)N1","TUUWXOJYEBBXNH-UHFFFAOYSA-N","371126",NA,"PDBC35271","645086","Present"
-"Ethyl ((4-(2-ethoxy-2-oxoethoxy)-5,9-dioxo-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-1-yl)oxy)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[4-(2-ethoxy-2-oxo-ethoxy)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]oxy]acetate","","CCOC(=O)COC1=C2C(=O)CCCC(=O)C2=C(C=C1)OCC(=O)OCC","YQYSXMMGYNWGSF-UHFFFAOYSA-N","361665",NA,"PDBC35272","624883","Present"
-"Ethyl ((4-(4-chlorophenyl)-5-cyano-6-hydroxy-2-pyrimidinyl)thio)acetate","","","","","","","","","","","","","","","","","","","","Ethyl ((4-(4-chlorophenyl)-5-cyano-6-hydroxy-2-pyrimidinyl)thio)acetate","","CCOC(=O)CSC1=NC(=C(C(=O)N1)C#N)C2=CC=C(C=C2)Cl","XMSFKXBKYRDQGH-UHFFFAOYSA-N","135486360",NA,"PDBC35273","686032","Present"
-"Ethyl ((4-amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate","","","","","","","","","","","","","","","","","","","","Ethyl ((4-amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate","","CCOC(=O)CSC1=NC2=NC3=C(CCCC3)C(=C2C(=N1)N)C4=CC(=C(C=C4)OC)OC","FPCZUUZUABOCCJ-UHFFFAOYSA-N","381063",NA,"PDBC35274","667082","Present"
-"Ethyl ((4-amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate","","","","","","","","","","","","","","","","","","","","Ethyl ((4-amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate","","CCOC(=O)CSC1=NC2=NC3=C(CCCC3)C(=C2C(=N1)N)C4=CC=CC=C4","KLHCAUSRASXFAR-UHFFFAOYSA-N","381058",NA,"PDBC35275","667077","Present"
-"Ethyl ((4-ethoxy-1,3-benzothiazol-2-yl)amino)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Ethyl ((4-ethoxy-1,3-benzothiazol-2-yl)amino)(oxo)acetate","","CCOC1=C2C(=CC=C1)SC(=N2)NC(=O)C(=O)OCC","DFJBVFDEUIWGGC-UHFFFAOYSA-N","361004",NA,"PDBC35276","623736","Present"
-"Ethyl ((4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)(phenyl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl ((4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)(phenyl)acetate","","CCOC(=O)C(C1=CC=CC=C1)OC2=C3C(=C(C=C2)OC)CCCC3=O","GYTVILXEYRAWPE-UHFFFAOYSA-N","361671",NA,"PDBC35277","624889","Present"
-"Ethyl ((4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetate","","","","","","","","","","","","","","","","","","","","Ethyl ((4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetate","","CCOC(=O)COC1=C2C(=C(C=C1)OC)CCCC2=O","CEURRAKAVNFYIE-UHFFFAOYSA-N","361582",NA,"PDBC35278","624763","Present"
-"Ethyl ((5-(1-((4,5-diphenyl-1H-imidazol-2-yl)thio)-2-methylpropyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[5-[1-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-methylpropyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate","","CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C(C(C)C)SC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5","XSMCHVUERKLVBE-UHFFFAOYSA-N","373859",NA,"PDBC35279","650822","Present"
-"Ethyl ((5-cyano-4-hydroxy-6-(4-methoxyphenyl)-2-pyrimidinyl)thio)acetate","","","","","","","","","","","","","","","","","","","","Ethyl ((5-cyano-4-hydroxy-6-(4-methoxyphenyl)-2-pyrimidinyl)thio)acetate","","CCOC(=O)CSC1=NC(=C(C(=O)N1)C#N)C2=CC=C(C=C2)OC","JXPJPEZEAWFAJV-UHFFFAOYSA-N","135489869",NA,"PDBC35280","686031","Present"
-"Ethyl (1-(1-naphthyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (1-(1-naphthyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate","","CCOC(=O)CC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC4=CC=CC=C43","JQIRIJZGQULFRC-UHFFFAOYSA-N","362063",NA,"PDBC35281","625585","Present"
-"Ethyl (1-(11-(4-(2-(5-(((ethoxycarbonyl)amino)carbonyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethyl)-1-piperazinyl)-11-oxoundecyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[11-[4-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazin-1-yl]-11-oxoundecyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCCCCCCCCC(=O)N2CCN(CC2)CCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC","MYBWNNKKVPOGQY-UHFFFAOYSA-N","361872",NA,"PDBC35282","625194","Present"
-"Ethyl (1-adamantylamino)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Acetamide, 2-ethoxy-2-oxo-N-(tricyclo[3.3.1.1(3,7)]decan...","","CCOC(=O)C(=O)NC12CC3CC(C1)CC(C3)C2","HOHRNAAMSSTIJQ-UHFFFAOYSA-N","366798",NA,"PDBC35283","635570","Present"
-"Ethyl (1-cyclohexyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl (1-cyclohexyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)C2CCCCC2","ALXOFWSCLRIHEH-UHFFFAOYSA-N","367237",NA,"PDBC35284","636780","Present"
-"Ethyl (11E)-14,17-diacetyloxy-10-benzyl-11-methyl-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (11E)-14,17-diacetyloxy-10-benzyl-11-methyl-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate","","CCOC(=O)C1=C(N(C(=O)C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)OC(=O)C)OC(=O)C)CC4=CC=CC=C4)C","IKISTKGKFREULU-NLRVBDNBSA-N","5472896",NA,"PDBC35285","722397","Present"
-"Ethyl (11E)-14,17-diacetyloxy-11-methyl-10-(4-methylphenyl)-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (11E)-14,17-diacetyloxy-11-methyl-10-(4-methylphenyl)-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate","","CCOC(=O)C1=C(N(C(=O)C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)C)C","PPTHKMQBOAHQSW-NLRVBDNBSA-N","5473107",NA,"PDBC35286","723891","Present"
-"Ethyl (1E)-N-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]methanehydrazonate","","","","","","","","","","","","","","","","","","","","Ethyl (1E)-N-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]methanehydrazonate","","CCOC=NNC(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3","JBMXSOPAIYYZKI-LPYMAVHISA-N","9572421",NA,"PDBC35287","715715","Present"
-"Ethyl (1E)-N-carbamothioyl-2-(4-chlorophenyl)ethanehydrazonate","","","","","","","","","","","","","","","","","","","","NSC686977","","CCOC(=NNC(=S)N)CC1=CC=C(C=C1)Cl","IFKHJJMUCOYQDO-GXDHUFHOSA-N","5466373",NA,"PDBC35288","686977","Present"
-"Ethyl (1E)-N-ethoxycarbonyl-2-(4-nitrophenyl)ethanehydrazonate","","","","","","","","","","","","","","","","","","","","NSC687217","","CCOC(=NNC(=O)OCC)CC1=CC=C(C=C1)[N+](=O)[O-]","GIBBEHAAGLPWTN-WYMLVPIESA-N","5466376",NA,"PDBC35289","687217","Present"
-"Ethyl (1E)-N-ethoxycarbonyl-2-phenylethanehydrazonate","","","","","","","","","","","","","","","","","","","","NSC687216","","CCOC(=NNC(=O)OCC)CC1=CC=CC=C1","ZTGRLRHFJBXNBN-WYMLVPIESA-N","5466375",NA,"PDBC35290","687216","Present"
-"Ethyl (1E)-N-ethoxycarbonylpropanehydrazonate","","","","","","","","","","","","","","","","","","","","NSC679488","","CCC(=NNC(=O)OCC)OCC","UXXBCTUQADDHKA-VQHVLOKHSA-N","5466172",NA,"PDBC35291","679488","Present"
-"Ethyl (1R,2R,4R)-4-hydroxy-4-methyl-8-oxo-2-phenylbicyclo[3.2.1]octane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl(1r,2r,4r)-4-hydroxy-4-methyl-8-oxo-2-phenyl-bicyclo[3.2.1]octane-1-carboxylate","","CCOC(=O)C12CCC(C1=O)C(CC2C3=CC=CC=C3)(C)O","BLFVKRZLPINTDI-YDTPAXHBSA-N","397723",NA,"PDBC35292","706131","Present"
-"Ethyl (1S,2R,6R,9R)-7-oxo-9-phenyl-10-oxa-3,4,5,8-tetrazatricyclo[6.3.0.02,6]undec-3-ene-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (1S,2R,6R,9R)-7-oxo-9-phenyl-10-oxa-3,4,5,8-tetrazatricyclo[6.3.0.02,6]undec-3-ene-6-carboxylate","","CCOC(=O)C12C(C3COC(N3C1=O)C4=CC=CC=C4)N=NN2","VPVGVICVNTYXMQ-RTWAVKEYSA-N","6712693",NA,"PDBC35293","706194","Present"
-"Ethyl (1Z)-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydrazinyl-2-oxoacetyl)propanehydrazonate","","","","","","","","","","","","","","","","","","","","Ethyl (1Z)-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydrazinyl-2-oxoacetyl)propanehydrazonate","","CCOC(=NNC(=O)C(=O)NN)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl","LPISMVBZIIQJNY-BNCCVWRVSA-N","6298876",NA,"PDBC35294","631547","Present"
-"Ethyl (1Z)-N-(5-carbamoyl-1H-triazol-4-yl)hexanimidate","","","","","","","","","","","","","","","","","","","","Ethyl (1Z)-N-(5-carbamoyl-1H-triazol-4-yl)hexanimidate","","CCCCCC(=NC1=NNN=C1C(=O)N)OCC","PGOANAQEVMYHRN-UHFFFAOYSA-N","385087",NA,"PDBC35295","676014","Present"
-"Ethyl (1Z)-N-[(6Z)-2-cyano-6-(furan-2-ylmethylidene)-5-oxoimidazo[2,1-b][1,3]thiazol-3-yl]methanimidate","","","","","","","","","","","","","","","","","","","","Ethyl (1Z)-N-[(6Z)-2-cyano-6-(furan-2-ylmethylidene)-5-oxoimidazo[2,1-b][1,3]thiazol-3-yl]methanimidate","","CCOC=NC1=C(SC2=NC(=CC3=CC=CO3)C(=O)N12)C#N","WGHMNZXZFSGCNM-YVBZAUQLSA-N","6519324",NA,"PDBC35296","684399","Present"
-"Ethyl (2'Z)-2'-(2-ethoxy-2-oxoethylidene)spiro[1,3,4,9-tetrahydrocarbazole-2,3'-1H-indole]-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (2'Z)-2'-(2-ethoxy-2-oxoethylidene)spiro[1,3,4,9-tetrahydrocarbazole-2,3'-1H-indole]-1-carboxylate","","CCOC(=O)C=C1C2(CCC3=C(C2C(=O)OCC)NC4=CC=CC=C34)C5=CC=CC=C5N1","YOSABUILDZLTOV-QNGOZBTKSA-N","5472503",NA,"PDBC35297","719705","Present"
-"Ethyl (2,4-dihydroxy-5-pyrimidinyl)carbonylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl (2,4-dihydroxy-5-pyrimidinyl)carbonylcarbamate","","CCOC(=O)NC(=O)C1=CNC(=O)NC1=O","YAJNYBXRRLUAKC-UHFFFAOYSA-N","367417",NA,"PDBC35298","637135","Present"
-"Ethyl (2,4-dioxo-1-(2-(4-(11-(9H-purin-6-ylamino)undecanoyl)-1-piperazinyl)ethyl)-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[2,4-dioxo-1-[2-[4-[11-(7H-purin-6-ylamino)undecanoyl]piperazin-1-yl]ethyl]pyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C(=O)CCCCCCCCCCNC3=NC=NC4=C3NC=N4","KXUVLTZHOKTPGO-UHFFFAOYSA-N","362257",NA,"PDBC35299","625869","Present"
-"Ethyl (2,6-diisopropylanilino)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2,6-diisopropylanilino)(oxo)acetate","","CCOC(=O)C(=O)NC1=C(C=CC=C1C(C)C)C(C)C","NNIXZEGJEDREFU-UHFFFAOYSA-N","360718",NA,"PDBC35300","623054","Present"
-"Ethyl (2-((2,5-dichlorophenyl)imino)-2,5-dihydro-1,3-thiazol-4-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-((2,5-dichlorophenyl)imino)-2,5-dihydro-1,3-thiazol-4-yl)acetate","","CCOC(=O)CC1=NC(=NC2=C(C=CC(=C2)Cl)Cl)SC1","LDCDSXBNMBKKID-UHFFFAOYSA-N","365863",NA,"PDBC35301","633938","Present"
-"Ethyl (2-(4-ethoxyanilino)-1,3-thiazol-4-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-(4-ethoxyanilino)-1,3-thiazol-4-yl)acetate","","CCOC1=CC=C(C=C1)NC2=NC(=CS2)CC(=O)OCC","WZWKPUUQMDGQDK-UHFFFAOYSA-N","365852",NA,"PDBC35302","633926","Present"
-"Ethyl (2-(allylimino)-2,5-dihydro-1,3-thiazol-4-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-(allylimino)-2,5-dihydro-1,3-thiazol-4-yl)acetate","","CCOC(=O)CC1=NC(=NCC=C)SC1","CSUANYZLGMEEHL-UHFFFAOYSA-N","365873",NA,"PDBC35303","633949","Present"
-"Ethyl (2-(aminosulfonyl)-5-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-(aminosulfonyl)-5-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate","","CCOC(=O)CC1=C(N2C(=N1)SC(=N2)S(=O)(=O)N)Br","RLRTYMCAWDYAFK-UHFFFAOYSA-N","394567",NA,"PDBC35304","698132","Present"
-"Ethyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate","","CCOC(=O)CN1CCSC1=NC#N","KZWSSZWGMMTHMO-UHFFFAOYSA-N","361713",NA,"PDBC35305","624954","Present"
-"Ethyl (2-(methylthio)-5,7-dioxo-4-phenyl-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-(methylthio)-5,7-dioxo-4-phenyl-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate","","CCOC(=O)CN1C(=O)C2=C(N(C1=O)C3=CC=CC=C3)SC(=N2)SC","LCOIVDKXPUGWDU-UHFFFAOYSA-N","383360",NA,"PDBC35306","671474","Present"
-"Ethyl (2-(methylthio)-7-oxo-4-phenyl-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-methylsulfanyl-7-oxo-4-phenyl-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl)acetate","","CCOC(=O)CN1C(=O)C2=C(N(C1=S)C3=CC=CC=C3)SC(=N2)SC","ZIDIQXCACUULJL-UHFFFAOYSA-N","383355",NA,"PDBC35307","671469","Present"
-"Ethyl (2-benzyl-4-oxo-4,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-benzyl-4-oxo-4,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl)acetate","","CCOC(=O)CC1=NC2=NN(C=C2C(=O)N1)CC3=CC=CC=C3","SMUQAVIGAJBOHN-UHFFFAOYSA-N","135409116",NA,"PDBC35308","658423","Present"
-"Ethyl (2-benzyl-6-methyl-4-oxo-2,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-benzyl-6-methyl-4-oxo-2,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate","","CCOC(=O)CN1C(=NC2=NN(C=C2C1=O)CC3=CC=CC=C3)C","GHJNLIAIJKSOEQ-UHFFFAOYSA-N","377197",NA,"PDBC35309","658424","Present"
-"Ethyl (2-bromo-4,6-difluoroanilino)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-bromo-4,6-difluoroanilino)(oxo)acetate","","CCOC(=O)C(=O)NC1=C(C=C(C=C1Br)F)F","BMFQIELNWMKVIA-UHFFFAOYSA-N","369451",NA,"PDBC35310","641221","Present"
-"Ethyl (2-ethyl-6-isopropylanilino)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-ethyl-6-isopropylanilino)(oxo)acetate","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)OCC","IFCFJKRMIDLVJN-UHFFFAOYSA-N","366753",NA,"PDBC35311","635526","Present"
-"Ethyl (2-ethyl-6-methylanilino)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-ethyl-6-methylanilino)(oxo)acetate","","CCC1=CC=CC(=C1NC(=O)C(=O)OCC)C","OUTRYSQLLHWMPD-UHFFFAOYSA-N","366291",NA,"PDBC35312","634642","Present"
-"Ethyl (2-hydroxy-7,12-dioxo-7,12-dihydronaphtho[2,3-f]quinoxalin-3-yl)acetate","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-f]quinoxaline-3-acetic acid, 2-hydroxy- 7,12...","","CCOC(=O)CC1=NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NC1=O","VZCPXFJTZLEMJO-UHFFFAOYSA-N","369544",NA,"PDBC35313","641405","Present"
-"Ethyl (2-isopropyl-6-methylanilino)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-isopropyl-6-methylanilino)(oxo)acetate","","CCOC(=O)C(=O)NC1=C(C=CC=C1C(C)C)C","CZZWDUYKGAXRCO-UHFFFAOYSA-N","362277",NA,"PDBC35314","625888","Present"
-"Ethyl (2-methyl-3-{(E)-[2-(naphtho[2,1-b]furan-2-ylcarbonyl)hydrazinylidene]methyl}-1H-indol-1-yl)acetate","","","","","","","","","","","","","","","","","","","","ethyl (E)-2-(2-methyl-3-((2-(naphtho[2,1-b]furan-2-carbo...","","CCOC(=O)CN1C(=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54)C","LRJLDVJFMBTCOG-RWPZCVJISA-N","6876386",NA,"PDBC35315","803052","Present"
-"Ethyl (2-sec-butyl-6-ethylanilino)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-sec-butyl-6-ethylanilino)(oxo)acetate","","CCC1=C(C(=CC=C1)C(C)CC)NC(=O)C(=O)OCC","YEWRTINPPXWUHZ-UHFFFAOYSA-N","366794",NA,"PDBC35316","635567","Present"
-"Ethyl (2-tert-butyl-6-methylanilino)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2-tert-butyl-6-methylanilino)(oxo)acetate","","CCOC(=O)C(=O)NC1=C(C=CC=C1C(C)(C)C)C","AMSCHAFXXDTSBY-UHFFFAOYSA-N","364765",NA,"PDBC35317","631524","Present"
-"Ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate","","CCOC(=O)C=C1CCCC12OCCO2","CUYXHGWGOWOLEY-CMDGGOBGSA-N","5387033",NA,"PDBC35318","619937","Present"
-"Ethyl (2E)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-(4-nitrophenyl)-3-oxo-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl (2E)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-(4-nitrophenyl)-3-oxo-propanoate","","","","",NA,"PDBC35319","645340","Present"
-"Ethyl (2E)-2-(diaminomethylidenehydrazinylidene)cyclopentane-1-carboxylate;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","Ethyl (2E)-2-(diaminomethylidenehydrazinylidene)cyclopentane-1-carboxylate;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid","","CCOC(=O)C1CCCC1=NN=C(N)N.CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O","PBAKGNXEKSSNSG-FLDSLJMSSA-N","9561727",NA,"PDBC35320","69559","Present"
-"Ethyl (2E)-2-[2-(4-cyanophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]acetate","","","","","","","","","","","","","","","","","","","","ethyl 2-((Z)-2-((4-cyanophenyl)imino)-3-(furan-2-ylmethy...","","CCOC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)C#N)S1)CC3=CC=CO3","UDEUVQCYOYKYAJ-NIHZCWFLSA-N","155812086",NA,"PDBC35321","790491","Present"
-"Ethyl (2E)-2-bromo-2-(5-oxobenzo[d][2]benzoxepin-7-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2E)-2-bromo-2-(5-oxobenzo[d][2]benzoxepin-7-ylidene)acetate","","CCOC(=O)C(=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O1)Br","GGNIZPFKTFTVDL-FOCLMDBBSA-N","3004359",NA,"PDBC35322","648537","Present"
-"Ethyl (2E)-3-butyl-4-methyl-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (2E)-3-butyl-4-methyl-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazole-5-carboxylate","","CCCCN1C(=C(SC1=NNC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)OCC)C","FOEADSFSQFHANK-XLVZBRSZSA-N","9572219",NA,"PDBC35323","707974","Present"
-"Ethyl (2E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]hepta-2,4,6-trienoate","","","","","","","","","","","","","","","","","","","","Ethyl (2E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]hepta-2,4,6-trienoate","","CCOC(=O)C=CC(=C(C=CC1=CC(=C(C=C1)O)OC)O)C(=O)C=CC2=CC(=C(C=C2)O)OC","RPGJFVHVWHJQNA-XFLLJFGUSA-N","54695591",NA,"PDBC35324","734924","Present"
-"Ethyl (2E,6E,10E)-13-(furan-3-yl)-6,10-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)trideca-2,6,10-trienoate","","","","","","","","","","","","","","","","","","","","Ethyl (2E,6E,10E)-13-(furan-3-yl)-6,10-dimethyl-2-(2-oxo...","","CCOC(=O)C(=CCCC(=CCCC(=CCCC1=COC=C1)C)C)CC(=O)N2CCCCC2","DKXRDEIUBLMUJP-RWZRQHEKSA-N","155812860",NA,"PDBC35325","775924","Present"
-"Ethyl (2R)-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-(5H-pyrrolo[3,2-d]pyrimidin-4-yldisulfanyl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-((5H-pyrrolo[3,2-d]pyrimidin-4-yl)disulfanyl)-2-...","","CCOC(=O)C(CSSC1=NC=NC2=C1NC=C2)NC(=O)C(C)C3=CC4=C(C=C3)C=C(C=C4)OC","HFSYQEATZVUUQI-BTYIYWSLSA-N","155811580",NA,"PDBC35326","778252","Present"
-"Ethyl (2R)-2-acetamido-3-[4-(chloromethyl)phenyl]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl (2R)-2-acetamido-3-[4-(chloromethyl)phenyl]propanoate","","CCOC(=O)C(CC1=CC=C(C=C1)CCl)NC(=O)C","CIAQWTMEOZOLIA-CYBMUJFWSA-N","401487",NA,"PDBC35327","715145","Present"
-"Ethyl (2S)-2-[(3,4-dimethoxyphenyl)methylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate","","","","","","","","","","","","","","","","","","","","Ethyl (2S)-2-[(3,4-dimethoxyphenyl)methylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate","","CCOC(=O)C(CCCNC(=O)OC(C)(C)C)NCC1=CC(=C(C=C1)OC)OC","KZIPEHVWMNXWHJ-INIZCTEOSA-N","359599",NA,"PDBC35328","620620","Present"
-"Ethyl (2S)-2-[[(1S,5S,7S)-1-hydroxy-7-methyl-7-nitro-8-bicyclo[3.2.1]octanylidene]amino]-3-(4-hydroxyphenyl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl (2S)-2-[[(1S,5S,7S)-1-hydroxy-7-methyl-7-nitro-8-bicyclo[3.2.1]octanylidene]amino]-3-(4-hydroxyphenyl)propanoate","","CCOC(=O)C(CC1=CC=C(C=C1)O)N=C2C3CCCC2(C(C3)(C)[N+](=O)[O-])O","FAIBMZBSOLETJD-JKTDJZPLSA-N","396908",NA,"PDBC35329","704087","Present"
-"Ethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-3-phenyl-propanoate","","","","",NA,"PDBC35330","645339","Present"
-"Ethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-propanoate","","","","",NA,"PDBC35331","645338","Present"
-"Ethyl (2Z)-2-(2-methyl-1,3-benzothiazol-3-ium-2-id-3-ylidene)-3-oxo-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl (2Z)-2-(2-methyl-1,3-benzothiazol-3-ium-2-id-3-ylidene)-3-oxo-3-phenyl-propanoate","","","","",NA,"PDBC35332","645337","Present"
-"Ethyl (2Z)-2-(3-acetoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (3-(acetyloxy)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-ylidene)acetate","","CCOC(=O)C=C1C(N=C(C2=CC=CC=C2N1)C3=CC=CC=C3)OC(=O)C","LKDIZNMGBIVARU-AQTBWJFISA-N","5466708",NA,"PDBC35333","641537","Present"
-"Ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Ethyl-(4,5-dihydrotetrazolo/1,5-a/quinoxalin-4-ylidene) ...","","CCOC(=O)C=C1C2=NN=NN2C3=CC=CC=C3N1","MTKFZRXBFHUSDT-CLFYSBASSA-N","5467017",NA,"PDBC35334","646842","Present"
-"Ethyl (2Z)-2-[(2,4-dichlorophenyl)imino]-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (2Z)-2-[(2,4-dichlorophenyl)imino]-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","CCOC(=O)C1C(=NC(=NC2=C(C=C(C=C2)Cl)Cl)S1)C","FXAIPGPXKTYENW-UHFFFAOYSA-N","365878",NA,"PDBC35335","633955","Present"
-"Ethyl (2Z)-2-[2-(4-cyanophenyl)imino-3-[2-[(5Z)-2-(4-cyanophenyl)imino-5-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate","","","","","","","","","","","","","","","","","","","","diethyl 2,2'-((2Z,2'Z)-3,3'-(ethane-1,2-diyl)bis(2-((4-c...","","CCOC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)C#N)S1)CCN3C(=O)C(=CC(=O)OCC)SC3=NC4=CC=C(C=C4)C#N","BUSQEEPFKMRGCC-BZEDRDOPSA-N","155808552",NA,"PDBC35336","791547","Present"
-"Ethyl (2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)ethanimidate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl (2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)ethanimidate;hydrochloride","","CCOC(=N)C(=C1C(=O)C(=C(O1)N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.Cl","QBXJSGZZFUPJRK-ZVBJHPSJSA-N","50988451",NA,"PDBC35337","621472","Present"
-"Ethyl (2Z)-2-[7-(3-phenylmethoxypropyl)spiro[1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,2'-1,3-dioxolane]-6-ylidene]acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2Z)-2-[7-(3-phenylmethoxypropyl)spiro[1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,2'-1,3-dioxolane]-6-ylidene]acetate","","CCOC(=O)C=C1C(C2CCCC23N1CCC4(C3)OCCO4)CCCOCC5=CC=CC=C5","ZGNVKDBQIBPHKB-MOHJPFBDSA-N","5387560",NA,"PDBC35338","624524","Present"
-"Ethyl (2Z)-2-cyano-2-(16-oxo-14-sulfanylidene-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaen-18-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (2Z)-2-cyano-2-(16-oxo-14-sulfanylidene-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaen-18-ylidene)acetate","","CCOC(=O)C(=C1C2=C(C=CC3=CC=CC=C32)OC4=C1C(=O)NC(=S)N4)C#N","MLRWTQDSHPWAQG-QINSGFPZSA-N","5471441",NA,"PDBC35339","711189","Present"
-"Ethyl (2Z)-5-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-6-carboxylate;chloride","","","","","","","","","","","","","","","","","","","","Ethyl (2Z)-5-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-6-carboxylate;chloride","","CCOC(=O)C1=C([N+]2=C(S1)SC(=CC3=CC=C(C=C3)[N+](=O)[O-])C2=O)C.[Cl-]","HDUTUBSFSSJUDV-JCTPKUEWSA-M","5351418",NA,"PDBC35340","658293","Present"
-"Ethyl (2Z,4Z)-2-carbamoyl-6-(4-chlorophenyl)-3,4-dihydroxy-6-oxohexa-2,4-dieno ate","","","","","","","","","","","","","","","","","","","","Ethyl (2Z,5Z)-2-carbamoyl-6-(4-chlorophenyl)-3,6-dihydroxy-4-oxohexa-2,5-dienoate","","CCOC(=O)C(=C(C(=O)C=C(C1=CC=C(C=C1)Cl)O)O)C(=O)N","IKVPYHKJCXECIP-IUDDKACKSA-N","54685705",NA,"PDBC35341","707049","Present"
-"Ethyl (2Z,5E)-5-bromo-2-carbamoyl-3,6-dihydroxy-4-oxo-6-phenylhexa-2,5-dienoate","","","","","","","","","","","","","","","","","","","","Ethyl (2Z,5E)-5-bromo-2-carbamoyl-3,6-dihydroxy-4-oxo-6-phenylhexa-2,5-dienoate","","CCOC(=O)C(=C(C(=O)C(=C(C1=CC=CC=C1)O)Br)O)C(=O)N","SAKXFIVJAZVQED-MWOVLNQWSA-N","54685708",NA,"PDBC35342","707068","Present"
-"Ethyl (3,5-dibenzoyl-1H-pyrrol-2-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (3,5-dibenzoyl-1H-pyrrol-2-yl)acetate","","CCOC(=O)CC1=C(C=C(N1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","REZFSUNILFILJR-UHFFFAOYSA-N","380391",NA,"PDBC35343","665908","Present"
-"Ethyl (3-(11-((3-(4-(3-((11-(5-(((ethoxycarbonyl)amino)carbonyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)undecanoyl)amino)propyl)-1-piperazinyl)propyl)amino)-11-oxoundecyl)-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinyl)carbonylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[11-[3-[4-[3-[11-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]undecanoylamino]propyl]piperazin-1-yl]propylamino]-11-oxoundecyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCCCCCCCCC(=O)NCCCN2CCN(CC2)CCCNC(=O)CCCCCCCCCCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC","PWLQEDMRSMOLSP-UHFFFAOYSA-N","362558",NA,"PDBC35344","626640","Present"
-"Ethyl (3-(2-(4-((((((5-(((ethoxycarbonyl)amino)carbonyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)acetyl)amino)acetyl)-1-piperazinyl)ethyl)-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinyl)carbonylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[2-[4-[2-[[2-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]acetyl]amino]acetyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C(=O)CNC(=O)CNC(=O)CN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC","ZDYVIFJKDRDTLO-UHFFFAOYSA-N","362557",NA,"PDBC35345","626639","Present"
-"Ethyl (3-(4-aminophenyl)-7-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (3-(4-aminophenyl)-7-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)acetate","","CCOC(=O)CC1C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)N","AYRWMMUSPBHMTB-UHFFFAOYSA-N","381080",NA,"PDBC35346","667231","Present"
-"Ethyl (3-allyl-1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl (3-allyl-1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)CC=C)C2CCCCC2","BNLCKZWCWKQORR-UHFFFAOYSA-N","367416",NA,"PDBC35347","637134","Present"
-"Ethyl (3-cyclohexen-1-ylmethoxy)(phenylthio)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (3-cyclohexen-1-ylmethoxy)(phenylthio)acetate","","CCOC(=O)C(OCC1CCC=CC1)SC2=CC=CC=C2","ODCDGHXXYLBEKK-UHFFFAOYSA-N","374573",NA,"PDBC35348","652547","Present"
-"Ethyl (3-hydroxy-3-methyl-1-benzofuran-2(3H)-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (3-hydroxy-3-methyl-1-benzofuran-2(3H)-ylidene)acetate","","CCOC(=O)C=C1C(C2=CC=CC=C2O1)(C)O","SBRZYYWEKHKJJN-FLIBITNWSA-N","5388414",NA,"PDBC35349","635923","Present"
-"Ethyl (3E)-2-[4-acetamido-5-(ethoxycarbonylamino)-2-methoxy-anilino]-3-(acetylhydrazono)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-(acetylamino)-5-((ethoxycarbonyl)amino)-2-methoxyanilino)-3-(acetylhydrazono)propanoate","","CCOC(=O)C(C=NNC(=O)C)NC1=C(C=C(C(=C1)NC(=O)OCC)NC(=O)C)OC","ARRNHPZTQZITMM-KEBDBYFISA-N","9571646",NA,"PDBC35350","694985","Present"
-"Ethyl (3E)-3-[(2-chlorophenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (3E)-3-[(2-chlorophenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(NC2N(C1C3=CC=CC=C3)C(=CC4=CC=CC=C4Cl)C(=O)S2)C","RALWKDOJCPPZAD-QGOAFFKASA-N","24205459",NA,"PDBC35351","735817","Present"
-"Ethyl (3E)-3-[(2-hydroxyphenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (3E)-3-[(2-hydroxyphenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(NC2N(C1C3=CC=CC=C3)C(=CC4=CC=CC=C4O)C(=O)S2)C","PTZWEYWRARBTJI-GHRIWEEISA-N","24205458",NA,"PDBC35352","735816","Present"
-"Ethyl (3E)-3-[(3-chlorophenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (3E)-3-[(3-chlorophenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(NC2N(C1C3=CC=CC=C3)C(=CC4=CC(=CC=C4)Cl)C(=O)S2)C","JOMWOJXTYAOLAE-QGOAFFKASA-N","24205460",NA,"PDBC35353","735818","Present"
-"Ethyl (3E)-3-benzylidene-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (3E)-3-benzylidene-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(NC2N(C1C3=CC=CC=C3)C(=CC4=CC=CC=C4)C(=O)S2)C","LUBKCHWRVWGKRK-NBVRZTHBSA-N","24205453",NA,"PDBC35354","735811","Present"
-"Ethyl (3E)-3-ethylidene-4-oxocyclodecane-1-carboxylate","","","","","","","","","","","","","","","","","","","","NSC697877","","CCOC(=O)C1CCCCCCC(=O)C(=CC)C1","CRJFPHSOLNTUGY-KGVSQERTSA-N","5470128",NA,"PDBC35355","697877","Present"
-"Ethyl (3E)-3-ethylidene-4-oxocyclotetradecane-1-carboxylate","","","","","","","","","","","","","","","","","","","","NSC697873","","CCOC(=O)C1CCCCCCCCCCC(=O)C(=CC)C1","PUKFRSDJELGHHJ-HQYXKAPLSA-N","5470125",NA,"PDBC35356","697873","Present"
-"Ethyl (3S)-3-hydroxy-3-[1-(2-methylideneheptyl)pyrrolidin-2-yl]butanoate","","","","","","","","","","","","","","","","","","","","Ethyl (3S)-3-hydroxy-3-[1-(2-methylideneheptyl)pyrrolidin-2-yl]butanoate","","CCCCCC(=C)CN1CCCC1C(C)(CC(=O)OCC)O","QKJVYCAVTWRVOH-DAFXYXGESA-N","357786",NA,"PDBC35357","617311","Present"
-"Ethyl (3Z)-4,2-dithiol-3-ylidenecarbamate","","","","","","","","","","","","","","","","","","","","Ethyl (3Z)-4,5-dichloro-3H-1,2-dithiol-3-ylidenecarbamate","","CCOC(=O)N=C1C(=C(SS1)Cl)Cl","VYCHFRGGTOXYKC-UITAMQMPSA-N","24203710",NA,"PDBC35358","729186","Present"
-"Ethyl (3aR,7aR)-5,6-dichloro-3a,7a-dicyano-1-[(2,4-dichlorophenyl)methyl]-4,7-dihydroxy-2-methylindole-3-carboxylate","","","","","","","","","","","","","","","","","","","","5,6-Dichlor-1-(2,4-dichlorbenzyl)-3a,7a-dicyano-4,7-dihy...","","CCOC(=O)C1=C(N(C2(C1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)CC3=C(C=C(C=C3)Cl)Cl)C","INXDXFZDTNVTKO-LEWJYISDSA-N","24205846",NA,"PDBC35359","736920","Present"
-"Ethyl (4-(3,4-dimethoxyphenyl)-1-methyl-2,5-dioxo-3-pyrrolidinylidene)(hydroxy)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (4-(3,4-dimethoxyphenyl)-1-methyl-2,5-dioxo-3-pyrrolidinylidene)(hydroxy)acetate","","CCOC(=O)C(=C1C(C(=O)N(C1=O)C)C2=CC(=C(C=C2)OC)OC)O","UKOFLSJBIDKEGM-BUHFOSPRSA-N","54685782",NA,"PDBC35360","626871","Present"
-"Ethyl (4-(3,4-dimethoxyphenyl)-2,5-dioxo-1-propyl-3-pyrrolidinylidene)(hydroxy)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (4-(3,4-dimethoxyphenyl)-2,5-dioxo-1-propyl-3-pyrrolidinylidene)(hydroxy)acetate","","CCCN1C(=O)C(C(=C(C(=O)OCC)O)C1=O)C2=CC(=C(C=C2)OC)OC","QQRSLUUMMUZLHQ-FOCLMDBBSA-N","54685783",NA,"PDBC35361","626872","Present"
-"Ethyl (4-(3-(4-methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (4-(3-(4-methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetate","","CCOC(=O)COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC","DAIHLCNRFGTFJP-AWNIVKPZSA-N","5469050",NA,"PDBC35362","682091","Present"
-"Ethyl (4-(4-methylphenyl)-2-(methylthio)-7-oxo-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-methylsulfanyl-7-oxo-4-(p-tolyl)-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl]acetate","","CCOC(=O)CN1C(=O)C2=C(N(C1=S)C3=CC=C(C=C3)C)SC(=N2)SC","CPOIRFPMCHQXGO-UHFFFAOYSA-N","383356",NA,"PDBC35363","671470","Present"
-"Ethyl (4-chloro-2-methylanilino)(oxo)acetate","","","","","","","","","","","","","","","","","","","","AG-690/15438542","","CCOC(=O)C(=O)NC1=C(C=C(C=C1)Cl)C","PMYROYQKBIJSQZ-UHFFFAOYSA-N","366178",NA,"PDBC35364","634505","Present"
-"Ethyl (4-cyano-2,3-dimethyl-9-oxo-10(9H)-acridinyl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (4-cyano-2,3-dimethyl-9-oxo-10(9H)-acridinyl)acetate","","CCOC(=O)CN1C2=CC=CC=C2C(=O)C3=C1C(=C(C(=C3)C)C)C#N","URMUWYSCMGSTPZ-UHFFFAOYSA-N","367597",NA,"PDBC35365","637429","Present"
-"Ethyl (4-ethyl-2-(methylthio)-7-oxo-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-ethyl-2-methylsulfanyl-7-oxo-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl)acetate","","CCN1C2=C(C(=O)N(C1=S)CC(=O)OCC)N=C(S2)SC","NNPFGWNJYLQTIS-UHFFFAOYSA-N","383358",NA,"PDBC35366","671472","Present"
-"Ethyl (4-fluoroanilino)(4-fluorophenyl)methyl(methyl)phosphinate","","","","","","","","","","","","","","","","","","","","Ethyl (4-fluoroanilino)(4-fluorophenyl)methyl(methyl)phosphinate","","CCOP(=O)(C)C(C1=CC=C(C=C1)F)NC2=CC=C(C=C2)F","QONJQAUHSKXQFB-UHFFFAOYSA-N","385489",NA,"PDBC35367","676738","Present"
-"Ethyl (4-hydroxy-1-methyl-5-oxo-2-phenyl-3-pyrrolidinyl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (4-hydroxy-1-methyl-5-oxo-2-phenyl-3-pyrrolidinyl)acetate","","CCOC(=O)CC1C(N(C(=O)C1O)C)C2=CC=CC=C2","HINVZQXINGFWBK-UHFFFAOYSA-N","389096",NA,"PDBC35368","684755","Present"
-"Ethyl (4-methyl-1,3-benzothiazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","4-Methyl-benzothiazol-2-yl-carbamic acid ethyl ester","","CCOC(=O)NC1=NC2=C(C=CC=C2S1)C","MULIROJBYBXGDB-UHFFFAOYSA-N","17249907",NA,"PDBC35369","764929","Present"
-"Ethyl (4-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (4-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)acetate","","CCOC(=O)CN1C(=O)C(NC1=O)(C)C2=CC=CC=C2","CQSFHCRWHHCOJH-UHFFFAOYSA-N","389750",NA,"PDBC35370","686346","Present"
-"Ethyl (4-oxo-1,3-thiazolidin-2-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (4-oxo-1,3-thiazolidin-2-yl)acetate","","CCOC(=O)CC1NC(=O)CS1","CWVMIVXNCWYTHH-UHFFFAOYSA-N","366931",NA,"PDBC35371","636095","Present"
-"Ethyl (4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)phenylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl (4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)phenylcarbamate","","CCOC(=O)N(C1=CC=CC=C1)C2=CC(=O)N3C=CC=CC3=N2","WUCYIBRIIMVLOC-UHFFFAOYSA-N","376970",NA,"PDBC35372","658170","Present"
-"Ethyl (45R)-7,8,9,12,13,14,25,26,27,30,31,32,35,45-tetradecahydroxy-4,17,22,36,39,43-hexaoxo-3,18,21,40,42-pentaoxanonacyclo[27.12.3.137,41.02,20.05,10.011,16.023,28.033,44.034,38]pentatetraconta-5,7,9,11,13,15,23,25,27,29(44),30,32,37-tridecaene-35-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (45R)-7,8,9,12,13,14,25,26,27,30,31,32,35,45-tetradecahydroxy-4,17,22,36,39,43-hexaoxo-3,18,21,40,42-pentaoxanonacyclo[27.12.3.137,41.02,20.05,10.011,16.023,28.033,44.034,38]pentatetraconta-5,7,","","CCOC(=O)C1(C2C3=C(C1=O)C(C(C4C5C(COC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O5)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C2=C(C(=C9O)O)O)C(=O)O4)O)O)O)OC3=O)O)O","WEVJRBBQIWRIDK-DBYKHBFJSA-N","6712365",NA,"PDBC35373","676818","Present"
-"Ethyl (4S)-4-amino-5-[[(2R)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","Ethyl (4S)-4-amino-5-[[(2R)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid","","CCOC(=O)CCC(C(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)OCC)N.C(=O)(C(F)(F)F)O","YCHHSVORNXDICG-GRTNUQQKSA-N","388719",NA,"PDBC35374","683777","Present"
-"Ethyl (4S)-4-amino-5-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","Ethyl (4S)-4-amino-5-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid","","CCOC(=O)CCC(C(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)OCC)N.C(=O)(C(F)(F)F)O","YCHHSVORNXDICG-HLRBRJAUSA-N","388717",NA,"PDBC35375","683776","Present"
-"Ethyl (4Z)-2-(4-bromoanilino)-4-[(2-hydroxybenzoyl)hydrazono]furan-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (4Z)-2-(4-bromoanilino)-4-[(2-hydroxybenzoyl)hydrazono]furan-3-carboxylate","","CCOC(=O)C1=C(OCC1=NNC(=O)C2=CC=CC=C2O)NC3=CC=C(C=C3)Br","WRDNFPGMZVYNOO-HZHRSRAPSA-N","135483945",NA,"PDBC35376","637441","Present"
-"Ethyl (4Z)-2-(butylamino)-4-[(2-hydroxybenzoyl)hydrazono]-4,5-dihydrofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (4Z)-2-(butylamino)-4-[(2-hydroxybenzoyl)hydrazono]-4,5-dihydrofuran-3-carboxylate","","CCCCNC1=C(C(=NNC(=O)C2=CC=CC=C2O)CO1)C(=O)OCC","SITHJXXPVWLOQI-DEDYPNTBSA-N","135483944",NA,"PDBC35377","637438","Present"
-"Ethyl (4Z)-2-[(3,4-dichlorophenyl)amino]-4-[(phenylacetyl)hydrazono]-4,5-dihydrofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (4Z)-2-[(3,4-dichlorophenyl)amino]-4-[(phenylacetyl)hydrazono]-4,5-dihydrofuran-3-carboxylate","","CCOC(=O)C1=C(OCC1=NNC(=O)CC2=CC=CC=C2)NC3=CC(=C(C=C3)Cl)Cl","UDFZTVFJSZLZLD-KOEQRZSOSA-N","135483942",NA,"PDBC35378","637435","Present"
-"Ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazono]-2-(1-naphthylamino)-4,5-dihydrofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazono]-2-(1-naphthylamino)-4,5-dihydrofuran-3-carboxylate","","CCOC(=O)C1=C(OCC1=NNC(=O)C2=CC=CC=C2O)NC3=CC=CC4=CC=CC=C43","GMMMRLPRVQDGQS-LGUFXXKBSA-N","135483950",NA,"PDBC35379","637692","Present"
-"Ethyl (4Z)-4-[[(2-amino-2-thioxo-ethanethioyl)amino]methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (4Z)-4-[[(2-amino-2-thioxo-ethanethioyl)amino]methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate","","CCOC(=O)C1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC(=S)C(=S)N","YBMXYQWORTWVGB-UHFFFAOYSA-N","3004778",NA,"PDBC35380","659718","Present"
-"Ethyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methylpyrazolo[1,5-a]indol-1-ium-2-carboxylate;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","Ethyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methylpyrazolo[1,5-a]indol-1-ium-2-carboxylate;trifluoromethanesulfonate","","CCOC(=O)C1=[N+](N2C3=CC=CC=C3C(=CC4=CC=C(C=C4)N(C)C)C2=C1)C.C(F)(F)(F)S(=O)(=O)[O-]","IFOWEZCGRQUKHO-UHFFFAOYSA-M","5470321",NA,"PDBC35381","699478","Present"
-"Ethyl (4Z,5Z)-5-(1-hydroxypropylidene)-4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-ylidene]-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (4Z,5Z)-5-(1-hydroxypropylidene)-4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-ylidene]-1H-pyrrole-2-carboxylate","","CCC(C)CN1CCC(=C2C=C(NC2=C(CC)O)C(=O)OCC)C1=S","WKYBSKMOVLSYLQ-AUGURXLVSA-N","135505162",NA,"PDBC35382","694465","Present"
-"Ethyl (5,6-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-1-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (5,6-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-1-yl)acetate","","CCOC(=O)CN1C2=C(N=C(C(=N2)Cl)Cl)N=C1C(F)(F)F","GPUPKROWDMLUBY-UHFFFAOYSA-N","296474",NA,"PDBC35383","166638","Present"
-"Ethyl (5-cyano-2-(1-cyano-2-(2-furyl)vinyl)-6-hydroxy-4-pyrimidinyl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (5-cyano-2-(1-cyano-2-(2-furyl)vinyl)-6-hydroxy-4-pyrimidinyl)acetate","","CCOC(=O)CC1=C(C(=O)NC(=N1)C(=CC2=CC=CO2)C#N)C#N","OQJVIXHCPDRPPS-UXBLZVDNSA-N","135429968",NA,"PDBC35384","628364","Present"
-"Ethyl (5E)-5-(1-cyano-2-methoxy-2-oxoethylidene)pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (5E)-5-(1-cyano-2-methoxy-2-oxoethylidene)pyrrolidine-2-carboxylate","","CCOC(=O)C1CCC(=C(C#N)C(=O)OC)N1","XIUGHWODJDDGNA-BQYQJAHWSA-N","5388403",NA,"PDBC35385","635586","Present"
-"Ethyl (5S)-5-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-7-methyl-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","(S)-ethyl 5-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-7-methy...","","CCOC(=O)C1=C(N=C2N(C1C3=C(NN=C3)C4=CC=C(C=C4)Cl)C(=CS2)C5=CC=CC=C5)C","AIOBHUIINMZMKX-QHCPKHFHSA-N","155810214",NA,"PDBC35386","788590","Present"
-"Ethyl (5aS,9aS)-4-imino-5a,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl (5aS,9aS)-4-imino-5a,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate","","CCOC(=O)C1=CN=C2NC3CCCCC3N2C1=N","PTQWRAOGOZZNMZ-UWVGGRQHSA-N","389410",NA,"PDBC35387","685482","Present"
-"Ethyl (6-bromo-1,3-benzothiazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","6-Bromo-benzothiazol-2-yl-carbamic acid ethyl ester","","CCOC(=O)NC1=NC2=C(S1)C=C(C=C2)Br","KCAFKDWDQKJQDD-UHFFFAOYSA-N","3751346",NA,"PDBC35388","764931","Present"
-"Ethyl (6-ethoxy-1,3-benzothiazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","stk440742","","CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)OCC","IOVKGYFVWSODCN-UHFFFAOYSA-N","193106",NA,"PDBC35389","767188","Present"
-"Ethyl (6-hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-4-pyrimidinyl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (6-hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-4-pyrimidinyl)acetate","","CCOC(=O)CC1=CC(=O)NC(=N1)N2C(=O)C(=C(N2)C)CCO","DPDOTXQSESNXRN-UHFFFAOYSA-N","135409192",NA,"PDBC35390","664721","Present"
-"Ethyl (7-benzyl-1-methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (7-benzyl-1-methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetate","","CCOC(=O)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3","VRFBOZJPAWFNMZ-UHFFFAOYSA-N","367817",NA,"PDBC35391","637882","Present"
-"Ethyl (9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylate","","","","","","","","","","","","","","","","","","","","(E)-ethyl 9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-m...","","CCOC(=O)C1=C(N2C(C3=C(C(=CC4=CC=C(C=C4)Cl)CCC3)N=C2S1)C5=CC=C(C=C5)Cl)C","YDPBQYYRYLSVPN-XDJHFCHBSA-N","6146357",NA,"PDBC35392","763545","Present"
-"Ethyl (E)-2-(4-chlorobenzoyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-2-(4-chlorobenzoyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-enoate","","CCOC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","GTNFSOYORAFDID-CJLVFECKSA-N","54613203",NA,"PDBC35393","749029","Present"
-"Ethyl (E)-2-benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-2-benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate","","CCOC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C(=O)C3=CC=CC=C3","GQTQCVIZIBBRGW-FYWRMAATSA-N","24203790",NA,"PDBC35394","729522","Present"
-"Ethyl (E)-2-benzoyl-3-phenylprop-2-enoate","","","","","","","","","","","","","","","","","","","","NSC636427","","CCOC(=O)C(=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2","BHKXLHNAIARBLO-DTQAZKPQSA-N","5378099",NA,"PDBC35395","636427","Present"
-"Ethyl (E)-2-cyano-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-2-cyano-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)prop-2-enoate","","CCOC(=O)C(=CC1=C(C(=C(N1)C)C)C)C#N","PRJZXMSNUFKGEZ-IZZDOVSWSA-N","5387573",NA,"PDBC35396","624867","Present"
-"Ethyl (E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]prop-2-enoate","","CCOC(=O)C(=CNC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C#N","JHNNLYMRRIPTRR-ACCUITESSA-N","761283",NA,"PDBC35397","687552","Present"
-"Ethyl (E)-2-cyano-3-[5'-ethyl-6'-(1-hydroxyethyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-2-cyano-3-[5'-ethyl-6'-(1-hydroxyethyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]prop-2-enoate","","CCC1=C(C=C2CC3(CC4=C(C3)C=C(C=C4)C=C(C#N)C(=O)OCC)CC2=C1)C(C)O","LOHWDPFXGRHSDR-PGGKNCGUSA-N","6477478",NA,"PDBC35398","670289","Present"
-"Ethyl (E)-2-cyano-3-[5-[6-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-ethoxy-1-naphthyl]-6-ethoxy-2-naphthyl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-2-cyano-3-[5-[6-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxynaphthalen-1-yl]-6-ethoxynaphthalen-2-yl]prop-2-enoate","","CCOC1=C(C2=C(C=C1)C=C(C=C2)C=C(C#N)C(=O)OCC)C3=C(C=CC4=C3C=CC(=C4)C=C(C#N)C(=O)OCC)OCC","IQMVHKXLWWCKLA-MKYUKRCKSA-N","5470106",NA,"PDBC35399","697664","Present"
-"Ethyl (E)-2-hydroxy-3-nitro-3-(4-oxo-3H-phthalazin-1-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-2-hydroxy-3-nitro-3-(4-oxo-3H-phthalazin-1-yl)prop-2-enoate","","CCOC(=O)C(=C(C1=NNC(=O)C2=CC=CC=C21)[N+](=O)[O-])O","NNGYUBQCBBTPLP-ZHACJKMWSA-N","135510052",NA,"PDBC35400","621747","Present"
-"Ethyl (E)-3-(2,4-dimethylphenyl)but-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-3-(2,4-dimethylphenyl)but-2-enoate","","CCOC(=O)C=C(C)C1=C(C=C(C=C1)C)C","ABNFDZKNXPLYMC-FMIVXFBMSA-N","5387373",NA,"PDBC35401","622934","Present"
-"Ethyl (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate","","CCOC(=O)C=CC1=CNC(=O)NC1=O.CCOC(=O)C=CC1=CNC(=O)NC1=O","ZNUTWLSBZWFRBE-XOMXBQTJSA-N","54607042",NA,"PDBC35402","197201","Present"
-"Ethyl (E)-3-(4-chlorophenyl)-2-butenoate","","","","","","","","","","","","","","","","","","","","5H-014","","CCOC(=O)C=C(C)C1=CC=C(C=C1)Cl","WMMPVJPERVUHJT-CMDGGOBGSA-N","1478889",NA,"PDBC35403","622917","Present"
-"Ethyl (E)-3-(9-oxoacridin-10-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-3-(9-oxoacridin-10-yl)prop-2-enoate","","CCOC(=O)C=CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31","LMVRUTREENWZFD-VAWYXSNFSA-N","5912027",NA,"PDBC35404","646648","Present"
-"Ethyl (E)-3-[(8R,9S,13S,14S)-17-bromo-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-16-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-3-[(8R,9S,13S,14S)-17-bromo-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-16-yl]prop-2-enoate","","CCOC(=O)C=CC1=C(C2(CCC3C(C2C1)CCC4=C3C=CC(=C4)O)C)Br","LTACGCWGNUTJIK-OPEMHMKESA-N","5471034",NA,"PDBC35405","707573","Present"
-"Ethyl (E)-3-[1-(2-Acetyloxyethyl)cyclohexyl]-2-propenoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-3-[1-(2-Acetyloxyethyl)cyclohexyl]-2-propenoate","","CCOC(=O)C=CC1(CCCCC1)CCOC(=O)C","IODMYPBNCPDGCO-JXMROGBWSA-N","5468050",NA,"PDBC35406","663307","Present"
-"Ethyl (E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]prop-2-enoate","","CCOC(=O)C(=CC1=CC=C(C=C1)N(CCC#N)CCC#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl","KAXZAIBYDGWOPZ-PXLXIMEGSA-N","6300338",NA,"PDBC35407","638226","Present"
-"Ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate","","CCOC(=O)C=CC1C(OC(O1)(C)C)C=CC(=O)OCC","KFNPAMUWPYXWQY-FIFLTTCUSA-N","5468983",NA,"PDBC35408","680768","Present"
-"Ethyl (E)-4-(1,3-dioxoisoindolin-2-yl)-3-phenyl-but-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-4-(1,3-dioxoisoindolin-2-yl)-3-phenyl-but-2-enoate","","CCOC(=O)C=C(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3","YLZCTLDJLZGRHB-QINSGFPZSA-N","5784864",NA,"PDBC35409","627077","Present"
-"Ethyl (E)-4-[[4-hydroxy-2-methylsulfanyl-6-[(3,4,5-triacetoxytetrahydropyran-2-yl)amino]pyrimidin-5-yl]amino]-2-oxo-pent-3-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-4-[[2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]-1H-pyrimidin-5-yl]amino]-2-oxopent-3-enoate","","CCOC(=O)C(=O)C=C(C)NC1=C(N=C(NC1=O)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C","VDWTXJZOQPLDBK-CSKARUKUSA-N","135499313",NA,"PDBC35410","650996","Present"
-"Ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate","","CCOC(=O)C=CCCO[Si](C)(C)C(C)(C)C","YJTKYXDVMNVKEC-CSKARUKUSA-N","5468981",NA,"PDBC35411","680764","Present"
-"Ethyl (E)-6-Acetyloxy-5,5-methyl-2-hexenoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-6-Acetyloxy-5,5-methyl-2-hexenoate","","CCOC(=O)C=CCC(C)(C)COC(=O)C","NUYQETDDWDLSRQ-VOTSOKGWSA-N","5468052",NA,"PDBC35412","663309","Present"
-"Ethyl (E)-7-Acetyloxy-5,5-dimethyl-2-heptenoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-7-Acetyloxy-5,5-dimethyl-2-heptenoate","","CCOC(=O)C=CCC(C)(C)CCOC(=O)C","RMNXNRFUMFJXDX-VOTSOKGWSA-N","5468051",NA,"PDBC35413","663308","Present"
-"Ethyl (E)-7-Acetyloxy-6,6-dimethyl-2-heptenoate","","","","","","","","","","","","","","","","","","","","Ethyl (E)-7-Acetyloxy-6,6-dimethyl-2-heptenoate","","CCOC(=O)C=CCCC(C)(C)COC(=O)C","HHLLAKBQNCVPSC-SOFGYWHQSA-N","5468053",NA,"PDBC35414","663310","Present"
-"Ethyl (E)-N-ethoxycarbonylbenzenecarbohydrazonate","","","","","","","","","","","","","","","","","","","","NSC680864","","CCOC(=NNC(=O)OCC)C1=CC=CC=C1","WBCSZCXJIALXHD-ACCUITESSA-N","5466194",NA,"PDBC35415","680864","Present"
-"Ethyl (NE)-N-[3-oxo-4-(2-phenylhydrazinyl)naphthalen-2-ylidene]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl (NE)-N-[3-oxo-4-(2-phenylhydrazinyl)naphthalen-2-ylidene]carbamate","","CCOC(=O)NC1=CC2=CC=CC=C2C(=C1O)N=NC3=CC=CC=C3","GRKADAZUWRLCSL-UHFFFAOYSA-N","344237",NA,"PDBC35416","401033","Present"
-"Ethyl (NE)-N-[amino(benzylsulfanyl)methylidene]carbamate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC622684","","CCOC(=O)N=C(N)SCC1=CC=CC=C1.Cl","ZHSQHJFXVRNBQI-UHFFFAOYSA-N","6326623",NA,"PDBC35417","622684","Present"
-"Ethyl (NZ)-N-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl (NZ)-N-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]carbamate","","CCOC(=O)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=CC=C2","OCCPLNGXISLYIY-BNXAACBSSA-N","9569868",NA,"PDBC35418","622598","Present"
-"Ethyl (Z)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (Z)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate","","CCN(CC)C(=CC1=CC=C(C=C1)N(C)C)C(=O)OCC","XVPXRVPMLURFFP-SSZFMOIBSA-N","5351394",NA,"PDBC35419","643774","Present"
-"Ethyl (Z)-2-benzoyl-3-(1H-pyrrol-2-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl-.alpha.-benzoyl-.beta-(2-pyrryl)-acrylate","","CCOC(=O)C(=CC1=CC=CN1)C(=O)C2=CC=CC=C2","KOYOUOVADJXSRE-KAMYIIQDSA-N","6061753",NA,"PDBC35420","643151","Present"
-"Ethyl (Z)-2-benzoyl-3-(carbamothioylamino)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (Z)-2-benzoyl-3-(carbamothioylamino)prop-2-enoate","","CCOC(=O)C(=C(C1=CC=CC=C1)O)C=NC(=S)N","NUTMJGVABFDBAM-OQYPFEDXSA-N","135409108",NA,"PDBC35421","658313","Present"
-"Ethyl (Z)-2-cyano-3-phenylsulfanylprop-2-enoate","","","","","","","","","","","","","","","","","","","","NSC617612","","CCOC(=O)C(=CSC1=CC=CC=C1)C#N","KUYYTPLVSGNMKP-KTKRTIGZSA-N","5386771",NA,"PDBC35422","617612","Present"
-"Ethyl (Z)-2-iodo-3-(3,4,5-trimethoxyphenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (Z)-2-iodo-3-(3,4,5-trimethoxyphenyl)prop-2-enoate","","CCOC(=O)C(=CC1=CC(=C(C(=C1)OC)OC)OC)I","LNVIVYFKOQNPQL-POHAHGRESA-N","5467081",NA,"PDBC35423","647361","Present"
-"Ethyl (Z)-3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate","","","","","","","","","","","","","","","","","","","","2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-...","","CCOC(=O)C=C(C)SC1=C(C2=CC=CC=C2C(=C1)O)O","ZWPCTBYNLWBREY-NTMALXAHSA-N","5358772",NA,"PDBC35424","278631","Present"
-"Ethyl (Z)-3-(benzylamino)-2-(3,4-dioxonaphthalen-1-yl)but-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (Z)-3-(benzylamino)-2-(3,4-dioxonaphthalen-1-yl)but-2-enoate","","CCOC(=O)C(=C(C)NCC1=CC=CC=C1)C2=CC(=O)C(=O)C3=CC=CC=C32","YFADNQBSQLCXKO-QNGOZBTKSA-N","24203338",NA,"PDBC35425","727571","Present"
-"Ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate","","CCOC(=O)C(=CC1(C(C(C(O1)C)(C)OC(=O)C)OC(=O)C)C)C","ATKWMARGMORDPP-ZXFOITDLSA-N","5471938",NA,"PDBC35426","715497","Present"
-"Ethyl (bis(1H-1,2,4-triazol-1-ylmethyl)amino)acetate","","","","","","","","","","","","","","","","","","","","Glycine, N,N-bis(1H-1,2,4-triazol-1-ylmethyl)-, ethyl ester","","CCOC(=O)CN(CN1C=NC=N1)CN2C=NC=N2","BCHKJOWJWMFJOY-UHFFFAOYSA-N","357101",NA,"PDBC35427","614929","Present"
-"Ethyl (bis(tert-butoxycarbonyl)amino)((diphenylmethylene)amino)acetate","","","","","","","","","","","","","","","","","","","","Ethyl (bis(tert-butoxycarbonyl)amino)((diphenylmethylene)amino)acetate","","CCOC(=O)C(N=C(C1=CC=CC=C1)C2=CC=CC=C2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C","PIRMLDIQJQPLFJ-UHFFFAOYSA-N","362710",NA,"PDBC35428","626949","Present"
-"Ethyl (diethoxyphosphoryl)(3-thienyl)acetate","","","","","","","","","","","","","","","","","","","","Triethyl-(3-thiofuryl)-phosphono acetate","","CCOC(=O)C(C1=CSC=C1)P(=O)(OCC)OCC","YHJVOYLCNBGMIZ-UHFFFAOYSA-N","370303",NA,"PDBC35429","643158","Present"
-"Ethyl 1,1,1,3,3,3-hexafluoropropan-2-yl methylphosphonate","","","","","","","","","","","","","","","","","","","","STL563263","","CCOP(=O)(C)OC(C(F)(F)F)C(F)(F)F","FQHNNRDALXBALI-UHFFFAOYSA-N","383647",NA,"PDBC35430","672065","Present"
-"Ethyl 1,1,9-trioxo-3,6-dihydro-2H-thieno[2,3-f]quinoline-8-carboxylate; ethyl 1,1,5-trioxo-3,8-dihydro-2H-thieno[3,2-g]quinoline-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1,1,9-trioxo-3,6-dihydro-2H-thieno[2,3-f]quinoline-8-carboxylate;ethyl 1,1,5-trioxo-3,8-dihydro-2H-thieno[3,2-g]quinoline-6-carboxylate","","CCOC(=O)C1=CNC2=C(C1=O)C3=C(CCS3(=O)=O)C=C2.CCOC(=O)C1=CNC2=C(C1=O)C=C3CCS(=O)(=O)C3=C2","KMOKMDOPZMGJKP-UHFFFAOYSA-N","362773",NA,"PDBC35431","627054","Present"
-"Ethyl 1,14-dimethyl-3,5,9,11-tetraoxo-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1,14-dimethyl-3,5,9,11-tetraoxo-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate","","CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)OC4=O)C)C(=O)OC3=O)C","SOZJKXQWYILNDF-UHFFFAOYSA-N","372069",NA,"PDBC35432","646935","Present"
-"Ethyl 1,2,2,3,3-pentacyanocyclopropane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1,2,2,3,3-pentacyanocyclopropane-1-carboxylate","","CCOC(=O)C1(C(C1(C#N)C#N)(C#N)C#N)C#N","MUWSMRWNYSBHDH-UHFFFAOYSA-N","394322",NA,"PDBC35433","697691","Present"
-"Ethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo(de,g)quinoline-6-carboxylate","","","","","","","","","","","","","","","","","","","","Dibenzo[de,g]quinoline-6-carboxylic acid, 4,5-dihydro- 1...","","CCOC(=O)N1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC","UBNQMQAKEHACQS-UHFFFAOYSA-N","285758",NA,"PDBC35434","143241","Present"
-"Ethyl 1,3-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[8,7-b][1,3]thiazine-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1,3-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[8,7-b][1,3]thiazine-8-carboxylate","","CCOC(=O)C1CCN2C3=C(N=C2S1)N(C(=O)N(C3=O)C)C","DYXWFBGACFOFDL-UHFFFAOYSA-N","362953",NA,"PDBC35435","627439","Present"
-"Ethyl 1,3-dimethyl-2,4-dioxo-8,9-dihydro-7H-purino[8,9-b][1,3]thiazine-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1,3-dimethyl-2,4-dioxo-8,9-dihydro-7H-purino[8,9-b][1,3]thiazine-7-carboxylate","","CCOC(=O)C1CCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2S1","UZIOKJLFXCBXTL-UHFFFAOYSA-N","362954",NA,"PDBC35436","627440","Present"
-"Ethyl 1,3-dimethyl-2,6-dioxo-10,11-diphenyl-1,2,3,6-tetrahydro-7H-4,5-ethanopurine-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,4-dimethyl-3,5-dioxo-10,11-diphenyl-2,4,7,9-tetrazatricyclo[4.3.2.01,6]undec-8-ene-7-carboxylate","","CCOC(=O)N1C=NC23C1(C(C2C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(C(=O)N3C)C","XKDZKJAXJPSBMV-UHFFFAOYSA-N","373976",NA,"PDBC35437","651008","Present"
-"Ethyl 1,4-dimethyl-3-phenylpyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","GHCXKSUSPXYUSB-UHFFFAOYSA-N","","CCOC(=O)C1=C(C(=CN1C)C)C2=CC=CC=C2","GHCXKSUSPXYUSB-UHFFFAOYSA-N","378982",NA,"PDBC35438","662574","Present"
-"Ethyl 1,4-dithiepane-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1,4-dithiepane-6-carboxylate","","CCOC(=O)C1CSCCSC1","JNZKSJFDJUBINC-UHFFFAOYSA-N","373722",NA,"PDBC35439","650624","Present"
-"Ethyl 1,5,2,4-dioxadithiepane-3-carboxylate 2,2,4,4-tetraoxide","","","","","","","","","","","","","","","","","","","","Ethyl 1,5,2,4-dioxadithiepane-3-carboxylate 2,2,4,4-tetraoxide","","CCOC(=O)C1S(=O)(=O)OCCOS1(=O)=O","JJLHEPUJIWLOHO-UHFFFAOYSA-N","372718",NA,"PDBC35440","648301","Present"
-"Ethyl 1,5,6-tricyano-2-imino-4,4-bis[(isopropylideneamino)oxy]-3-azabicyclo[3.1.0]hexane-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-amino-1,5,6-tricyano-4,4-bis[(propan-2-ylideneamino)oxy]-3-azabicyclo[3.1.0]hex-2-ene-6-carboxylate","","CCOC(=O)C1(C2(C1(C(N=C2N)(ON=C(C)C)ON=C(C)C)C#N)C#N)C#N","LEVOJUHEUBDOIW-UHFFFAOYSA-N","394326",NA,"PDBC35441","697695","Present"
-"Ethyl 1,6-dioxo-4,6-dihydro-1H-pyrimido[1,2-a]quinazoline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1,6-dioxo-4,6-dihydro-1H-pyrimido[1,2-a]quinazoline-2-carboxylate","","CCOC(=O)C1=CN=C2NC(=O)C3=CC=CC=C3N2C1=O","ASZSDGGDDFQQDG-UHFFFAOYSA-N","363577",NA,"PDBC35442","628556","Present"
-"Ethyl 1-(((1-chlorobutylidene)amino)oxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(((1-chlorobutylidene)amino)oxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","CCCC(=NOC(C(F)(F)F)(C(F)(F)F)NC(=O)OCC)Cl","NFLHNXDXYISLOD-SWNXQHNESA-N","9556183",NA,"PDBC35443","672011","Present"
-"Ethyl 1-(((3-(ethoxycarbonyl)-2-phenyl-1-indolizinyl)(phenyl)methoxy)(phenyl)methyl)-2-phenyl-3-indolizinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-[[(3-ethoxycarbonyl-2-phenylindolizin-1-yl)-phenylmethoxy]-phenylmethyl]-2-phenylindolizine-3-carboxylate","","CCOC(=O)C1=C(C(=C2N1C=CC=C2)C(C3=CC=CC=C3)OC(C4=CC=CC=C4)C5=C6C=CC=CN6C(=C5C7=CC=CC=C7)C(=O)OCC)C8=CC=CC=C8","QRVSDWPAVPWEAQ-UHFFFAOYSA-N","373623",NA,"PDBC35444","650271","Present"
-"Ethyl 1-(2,4-difluoroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(2,4-difluoroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C=C(C=C1)F)F","QQISRKQTAKOLBO-UHFFFAOYSA-N","383566",NA,"PDBC35445","671984","Present"
-"Ethyl 1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(2,6-difluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole-6-carboxylate","","CCOC(=O)C1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4F)F","NBHGQRPGXCMAGM-UHFFFAOYSA-N","395890",NA,"PDBC35446","700985","Present"
-"Ethyl 1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(2,6-difluorophenyl)-1,3-dihydrothiazolo[4,3-b]benzimidazole-7-carboxylate","","CCOC(=O)C1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4F)F","RSJYDJPPEQBFLX-UHFFFAOYSA-N","395889",NA,"PDBC35447","700984","Present"
-"Ethyl 1-(2-(2,4-bis(hydroxy(oxido)amino)phenyl)hydrazino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[2-(2,4-dinitrophenyl)hydrazino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","BGMZESBARBRCDX-UHFFFAOYSA-N","3765385",NA,"PDBC35448","672005","Present"
-"Ethyl 1-(2-(4-chlorophenyl)ethyl)-5-methyl-1H-imidazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(2-(4-chlorophenyl)ethyl)-5-methyl-1H-imidazole-4-carboxylate","","CCOC(=O)C1=C(N(C=N1)CCC2=CC=C(C=C2)Cl)C","FJIKRWOKOHSXIQ-UHFFFAOYSA-N","383718",NA,"PDBC35449","672147","Present"
-"Ethyl 1-(2-(dimethylamino)ethoxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(2-(dimethylamino)ethoxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)OCCN(C)C","FVKTYQGBYYXORN-UHFFFAOYSA-N","383586",NA,"PDBC35450","672004","Present"
-"Ethyl 1-(2-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(2-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate","","CCOC(=O)C1CCC(=O)N1C(=O)C2=CC=CC=C2Cl","NVYKEWPDWHYNTF-UHFFFAOYSA-N","386108",NA,"PDBC35451","677740","Present"
-"Ethyl 1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate","","CCOC(=O)C1CCCN1C(=O)C2=CC=CC=C2Cl","BLSALMWZIDFLLY-UHFFFAOYSA-N","386111",NA,"PDBC35452","677743","Present"
-"Ethyl 1-(3,4-dimethoxybenzylidene)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(3,4-dimethoxybenzylidene)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate","","CCOC(=O)N1CCC2=CC(=C(C=C2C1=CC3=CC(=C(C=C3)OC)OC)OC)OC","HQORGKLZZSXVIA-WOJGMQOQSA-N","5387848",NA,"PDBC35453","628303","Present"
-"Ethyl 1-(3-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)-1H-1,2,4-triazol-1-yl)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[2-[3-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-1,2,4-triazol-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NN(C=N1)C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC","SZSPUNYSEQSZTI-UHFFFAOYSA-N","383592",NA,"PDBC35454","672010","Present"
-"Ethyl 1-(3-chloro-2-butenyl)-2-oxocyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(3-chloro-2-butenyl)-2-oxocyclopentanecarboxylate","","CCOC(=O)C1(CCCC1=O)CC=C(C)Cl","VIWRVBZAJJBCCD-TWGQIWQCSA-N","5848037",NA,"PDBC35455","646206","Present"
-"Ethyl 1-(3-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(3-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate","","CCOC(=O)C1CCC(=O)N1C(=O)C2=CC(=CC=C2)Cl","PRNCADBBQZRLHD-UHFFFAOYSA-N","386109",NA,"PDBC35456","677741","Present"
-"Ethyl 1-(3-chlorophenyl)-4-morpholin-4-yl-6-oxopyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(3-chlorophenyl)-4-morpholino-6-oxo-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(N=CN(C1=O)C2=CC(=CC=C2)Cl)N3CCOCC3","DZSQUCMEFOQRRN-UHFFFAOYSA-N","396885",NA,"PDBC35457","703912","Present"
-"Ethyl 1-(3-ethoxy-1-methyl-2-propenyl)-2-oxocyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(3-ethoxy-1-methyl-2-propenyl)-2-oxocyclohexanecarboxylate","","CCOC=CC(C)C1(CCCCC1=O)C(=O)OCC","CDIRTRKWIBIRGG-PKNBQFBNSA-N","5466980",NA,"PDBC35458","646197","Present"
-"Ethyl 1-(3-ethoxy-1-methyl-3-oxopropyl)-2-oxocyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(3-ethoxy-1-methyl-3-oxopropyl)-2-oxocyclohexanecarboxylate","","CCOC(=O)CC(C)C1(CCCCC1=O)C(=O)OCC","TVYDXDDWHLWEDY-UHFFFAOYSA-N","371774",NA,"PDBC35459","646218","Present"
-"Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","MOARFWIGPLNCFT-UHFFFAOYSA-N","","CCOC(=O)CCC1(CCCCC1=O)C(=O)OCC","MOARFWIGPLNCFT-UHFFFAOYSA-N","371783",NA,"PDBC35460","646227","Present"
-"Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate","","CCOC(=O)CCC1(CCCC1=O)C(=O)OCC","JROPNAGSHRQCNQ-UHFFFAOYSA-N","371775",NA,"PDBC35461","646219","Present"
-"Ethyl 1-(4-chloro-2-butenyl)-2-oxocyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(4-chloro-2-butenyl)-2-oxocyclopentanecarboxylate","","CCOC(=O)C1(CCCC1=O)CC=CCCl","OZLXONPGYMUEBE-ONEGZZNKSA-N","5470126",NA,"PDBC35462","697874","Present"
-"Ethyl 1-(4-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(4-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate","","CCOC(=O)C1CCC(=O)N1C(=O)C2=CC=C(C=C2)Cl","SMUDFKGEANGKHW-UHFFFAOYSA-N","386110",NA,"PDBC35463","677742","Present"
-"Ethyl 1-(4-chlorophenyl)-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(4-chlorophenyl)-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate","","CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)C5=CC=C(C=C5)Cl)C","ORFLNEXNANZXDB-UHFFFAOYSA-N","405345",NA,"PDBC35464","722568","Present"
-"Ethyl 1-(4-chlorophenyl)-6,8-dimethyl-5-thioxo-5,6-dihydro-1H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(4-chlorophenyl)-6,8-dimethyl-5-thioxo-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate","","CCOC(=O)C1=NN(C2=CC(=NN(C(=S)N21)C)C)C3=CC=C(C=C3)Cl","OMXQZTBNDKBAAX-UHFFFAOYSA-N","383796",NA,"PDBC35465","672296","Present"
-"Ethyl 1-(carbamoylamino)-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(carbamoylamino)-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate","","CCOC(=O)C1=C(N(C2(C1(C(=O)CCC2)C)O)NC(=O)N)C","XYXQRAFHHCMRIC-UHFFFAOYSA-N","364552",NA,"PDBC35466","630972","Present"
-"Ethyl 1-(ethoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(ethoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate","","CCOC(=O)C1=C(N(C(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC)C","INIHSCFIFBHKBM-UHFFFAOYSA-N","365761",NA,"PDBC35467","633791","Present"
-"Ethyl 1-(sec-butylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 1-(sec-butylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","CCC(C)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OCC","WJZOXONKGPTCRH-UHFFFAOYSA-N","383564",NA,"PDBC35468","671982","Present"
-"Ethyl 1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate","","CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)CC5=C(C=C(C=C5)Cl)Cl)C","LOIJSVXBDXEENQ-UHFFFAOYSA-N","405349",NA,"PDBC35469","722572","Present"
-"Ethyl 1-[2-(1H-indol-3-yl)acetyl]piperidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-[2-(1H-indol-3-yl)acetyl]piperidine-2-carboxylate","","CCOC(=O)C1CCCCN1C(=O)CC2=CNC3=CC=CC=C32","OQPSUIOBBWLHTJ-UHFFFAOYSA-N","396993",NA,"PDBC35470","704230","Present"
-"Ethyl 1-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxylate","","CCOC(=O)C1CCCCN1CCC2=CNC3=CC=CC=C32","SCAHRQKAQXAADP-UHFFFAOYSA-N","396997",NA,"PDBC35471","704234","Present"
-"Ethyl 1-acetyl-3-hydroxy-2-(1H-indol-3-ylmethyl)piperidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-acetyl-3-hydroxy-2-(1H-indol-3-ylmethyl)piperidine-2-carboxylate","","CCOC(=O)C1(C(CCCN1C(=O)C)O)CC2=CNC3=CC=CC=C32","PBCTUFWZRPYFQI-UHFFFAOYSA-N","392294",NA,"PDBC35472","692427","Present"
-"Ethyl 1-acetyl-3-oxo-furo[3,4-c]pyridine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-acetyl-3-oxo-furo[3,4-c]pyridine-1-carboxylate","","CCOC(=O)C1(C2=C(C=NC=C2)C(=O)O1)C(=O)C","BMTBQIJPDQTRAB-UHFFFAOYSA-N","389474",NA,"PDBC35473","685682","Present"
-"Ethyl 1-amino-6-methyl-4-(4-methylphenyl)-2-thioxo-1, 3, 4-tetrahydropyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-amino-6-methyl-4-(4-methylphenyl)-2-thioxo-1, 2,...","","CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)C)N)C","GTGDCTHCJZCAPT-UHFFFAOYSA-N","24205057",NA,"PDBC35474","734132","Present"
-"Ethyl 1-aminocyclopropanecarboxylate hydrochloride","","","","","","","","","","","","","","","","","","","","NSC677920","","CCOC(=O)C1(CC1)N.Cl","XFNUTZWASODOQK-UHFFFAOYSA-N","386203",NA,"PDBC35475","677920","Present"
-"Ethyl 1-benzoyl-3-(2-diazo-3-ethoxy-3-oxo-propanoyl)-2-oxo-pyrrolidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-benzoyl-3-(2-diazo-3-ethoxy-3-oxo-propanoyl)-2-oxo-pyrrolidine-3-carboxylate","","CCOC(=O)C(=[N+]=[N-])C(=O)C1(CCN(C1=O)C(=O)C2=CC=CC=C2)C(=O)OCC","KFDXPJOPIFZGPG-UHFFFAOYSA-N","394461",NA,"PDBC35476","697935","Present"
-"Ethyl 1-benzoyl-3-cyano-2-[3-(ethoxymethyl)-2,4,6-trimethyl-phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-benzoyl-3-cyano-2-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate","","CCOCC1=C(C(=C(C=C1C)C)C2C(N3C(C2(C#N)C(=O)OCC)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5)C","TVISPYCTOPGGTB-UHFFFAOYSA-N","392991",NA,"PDBC35477","694233","Present"
-"Ethyl 1-benzoyl-5-oxo-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-benzoyl-5-oxo-2-pyrrolidinecarboxylate","","CCOC(=O)C1CCC(=O)N1C(=O)C2=CC=CC=C2","IKTDZIVBRYDWBJ-UHFFFAOYSA-N","386107",NA,"PDBC35478","677739","Present"
-"Ethyl 1-benzyl-3-(cyanomethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-benzyl-3-(cyanomethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate","","CCOC(=O)C1=C(N(C(=O)C1CC#N)CC2=CC=CC=C2)C","IMNLQMSFODLWLY-UHFFFAOYSA-N","360055",NA,"PDBC35479","621853","Present"
-"Ethyl 1-benzyl-3-methyl-4-oxo-1,5,7-tetrahydrothiopyrano[3,4-b]pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-benzyl-3-methyl-4-oxo-1,4,5,7-tetrahydrothiopyra...","","CCOC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)CSCC2=O)C","OMAXOSOXZMIKSG-UHFFFAOYSA-N","54613702",NA,"PDBC35480","749884","Present"
-"Ethyl 1-benzyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-benzyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate","","CCOC(=O)C1=C(N=CN(C1=S)CC2=CC=CC=C2)N3CCCC3","BQMDONQDSYIJSG-UHFFFAOYSA-N","385039",NA,"PDBC35481","675892","Present"
-"Ethyl 1-benzyl-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-benzyl-5-hydroxy-2-methyl-1,6,7,8,9,10-hexahydropyrrolo[3,2-c]carbazole-3-carboxylate","","CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)CC5=CC=CC=C5)C","ZJOBYXVYSJBSSF-UHFFFAOYSA-N","404594",NA,"PDBC35482","720986","Present"
-"Ethyl 1-carbamoyl-2-(phenylcarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-carbamoyl-2-(phenylcarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate","","CCOC(=O)C1=C(C(=C2N1CCCCC2)C(=O)N)NC(=O)NC3=CC=CC=C3","BJYOMSNPQNARNL-UHFFFAOYSA-N","394193",NA,"PDBC35483","697462","Present"
-"Ethyl 1-cyano-2-(ethylcarbamothioylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-cyano-2-(ethylcarbamothioylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate","","CCNC(=S)NC1=C(N2CCCCCC2=C1C#N)C(=O)OCC","XHKNWHIWRDKLTG-UHFFFAOYSA-N","3005401",NA,"PDBC35484","697460","Present"
-"Ethyl 1-cyano-2-(methoxycarbonylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-cyano-2-(methoxycarbonylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate","","CCOC(=O)C1=C(C(=C2N1CCCCC2)C#N)NC(=O)OC","ZYPIMMQXRPFYAF-UHFFFAOYSA-N","394190",NA,"PDBC35485","697459","Present"
-"Ethyl 1-cyano-3-oxo-1,3-dihydrofuro[3,4-c]pyridine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-cyano-3-oxo-1,3-dihydrofuro[3,4-c]pyridine-1-carboxylate","","CCOC(=O)C1(C2=C(C=NC=C2)C(=O)O1)C#N","YXEZYFGYNMTGDW-UHFFFAOYSA-N","389475",NA,"PDBC35486","685683","Present"
-"Ethyl 1-cyano-4-hydroxy-3-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-cyano-4-hydroxy-3-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexanecarboxylate","","CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC)(C4=CC=C(C=C4)OC)O)C5=CC=CC=C5)C#N","BGHIEYCQZOTSQR-UHFFFAOYSA-N","373624",NA,"PDBC35487","650293","Present"
-"Ethyl 1-cyano-4-hydroxy-3-(4-nitrobenzoyl)-4-(4-nitrophenyl)-2,6-diphenyl-cyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-cyano-4-hydroxy-3-(4-nitrobenzoyl)-4-(4-nitrophenyl)-2,6-diphenylcyclohexanecarboxylate","","CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)[N+](=O)[O-])O)C5=CC=CC=C5)C#N","ZMKODGGEZAHVFQ-UHFFFAOYSA-N","373626",NA,"PDBC35488","650295","Present"
-"Ethyl 1-cyanocyclopropanecarboxylate","","","","","","","","","","","","","","","","","","","","ACT09013","","CCOC(=O)C1(CC1)C#N","FDZLCIITHLSEQK-UHFFFAOYSA-N","380810",NA,"PDBC35489","666530","Present"
-"Ethyl 1-cyclopropyl-4-oxopiperidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-cyclopropyl-4-oxopiperidine-3-carboxylate","","CCOC(=O)C1CN(CCC1=O)C2CC2","CYTHCMOPAYRQRJ-UHFFFAOYSA-N","388490",NA,"PDBC35490","683443","Present"
-"Ethyl 1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetate","","","","","","","","","","","","","","","","","","","","Ethyl 1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetate","","CCOC(=O)CC1(C=CC(=O)C=C1)O","PCTPJULDTWCNKF-UHFFFAOYSA-N","100323",NA,"PDBC35491","658398","Present"
-"Ethyl 1-isocyanocyclopropane-1-carboxylate","","","","","","","","","","","","","","","","","","","","FCH850540","","CCOC(=O)C1(CC1)[N+]#[C-]","AGOFNLJNXSXUEM-UHFFFAOYSA-N","386202",NA,"PDBC35492","677918","Present"
-"Ethyl 1-methacryloyl-5-methoxy-2-indolinecarboxylate","","","","","","","","","","","","","","","","","","","","XQYWHBBNUHKIJY-UHFFFAOYSA-N","","CCOC(=O)C1CC2=C(N1C(=O)C(=C)C)C=CC(=C2)OC","XQYWHBBNUHKIJY-UHFFFAOYSA-N","354078",NA,"PDBC35493","604534","Present"
-"Ethyl 1-methyl-2,4-dioxo-3-prop-2-ynylquinoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-methyl-2,4-dioxo-3-(prop-2-yn-1-yl)-1,2,3,4-tetrahydroquinoline-3-carboxylate","","CCOC(=O)C1(C(=O)C2=CC=CC=C2N(C1=O)C)CC#C","FBXJPBIYHAQSKH-UHFFFAOYSA-N","365757",NA,"PDBC35494","633786","Present"
-"Ethyl 1-methyl-3,4-diphenyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-methyl-3,4-diphenyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=CN1C)C2=CC=CC=C2)C3=CC=CC=C3","GVKIAERLQJXJRW-UHFFFAOYSA-N","378983",NA,"PDBC35495","662575","Present"
-"Ethyl 1-methyl-3-((1-methyl-3-oxo-3-phenyl-1-propenyl)amino)-1H-pyrazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-methyl-3-((1-methyl-3-oxo-3-phenyl-1-propenyl)amino)-1H-pyrazole-4-carboxylate","","CCOC(=O)C1=CN(N=C1NC(=CC(=O)C2=CC=CC=C2)C)C","UABFEVGUKYDFCL-BENRWUELSA-N","5467777",NA,"PDBC35496","658999","Present"
-"Ethyl 1-methyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-methyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate","","CCOC(=O)C1=C(N=CN(C1=S)C)N2CCCC2","XLDWLPLVQKBCCD-UHFFFAOYSA-N","385033",NA,"PDBC35497","675886","Present"
-"Ethyl 1-methyl-5-(2-thienyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-methyl-5-(2-thienyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC=C(N1C)C2=CC=CS2","CAXHDNDTNFKHBA-UHFFFAOYSA-N","384452",NA,"PDBC35498","674232","Present"
-"Ethyl 1-oxido-4-oxo-3-(thiolane-2-carbonyl)-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-oxido-4-oxo-3-(thiolane-2-carbonyl)-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate","","CCOC(=O)C1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3CCCS3)C(F)(F)F)[O-]","RBOVXTWLIIRDMP-UHFFFAOYSA-N","60147999",NA,"PDBC35499","753428","Present"
-"Ethyl 1-phenyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-phenyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate","","CCOC(=O)C1=C(N=CN(C1=S)C2=CC=CC=C2)N3CCCC3","GHARJEMDHDMXCF-UHFFFAOYSA-N","385036",NA,"PDBC35500","675889","Present"
-"Ethyl 10-acetyl-9-(2-oxopropyl)-7,9-dihydropyrido[1,2-a]perimidine-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 10-acetyl-9-(2-oxopropyl)-7,9-dihydropyrido[1,2-a]perimidine-8-carboxylate","","CCOC(=O)C1=C2NC3=CC=CC4=C3C(=CC=C4)N2C=C(C1CC(=O)C)C(=O)C","ILTKWLLSSGRLGS-UHFFFAOYSA-N","395885",NA,"PDBC35501","700980","Present"
-"Ethyl 10-benzyl-11-methyl-2,9,14,17-tetraoxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,15-hexaene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 10-benzyl-11-methyl-2,9,14,17-tetraoxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,15-hexaene-12-carboxylate","","CCOC(=O)C1=C(N(C(=O)C2=CC=CC=C2C(=O)C3=C1C(=O)C=CC3=O)CC4=CC=CC=C4)C","GSRKHGYQMQRJBL-UHFFFAOYSA-N","405262",NA,"PDBC35502","722398","Present"
-"Ethyl 10-benzyl-2,9-dihydroxy-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 10-benzyl-2,9-dihydroxy-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate","","CCOC(=O)C1=C(N(C(=C2C=CC=CC2=C(C3=C1C(=O)C=CC3=O)O)O)CC4=CC=CC=C4)C","XZIXKRYYLJCWOM-UHFFFAOYSA-N","405260",NA,"PDBC35503","722396","Present"
-"Ethyl 10-methoxy-3,6-dioxo-1,5,6,10b-tetrahydro[1,3]oxazolo[4,3-a]isoquinoline-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 10-methoxy-3,6-dioxo-1,5,6,10b-tetrahydro[1,3]oxazolo[4,3-a]isoquinoline-5-carboxylate","","CCOC(=O)C1C(=O)C2=C(C3N1C(=O)OC3)C(=CC=C2)OC","UWYGEPYCQZYPEY-UHFFFAOYSA-N","372839",NA,"PDBC35504","648497","Present"
-"Ethyl 10-oxo-4-thia-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 10-oxo-4-thia-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-12-carboxylate","","CCOC(=O)C1=CC(=O)C2=C3N1CCSC3=NC=C2","ZIHCNPUPILEVGJ-UHFFFAOYSA-N","394841",NA,"PDBC35505","698693","Present"
-"Ethyl 10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-12-carboxylate","","CCOC(=O)C1=CC(=O)C2=C3N1CCSC3=CC=C2","GJGLPYPUMLLUAX-UHFFFAOYSA-N","394842",NA,"PDBC35506","698694","Present"
-"Ethyl 11-(4-chlorophenyl)-8,10-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 16-(4-chlorophenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene-4-carboxylate","","CCOC(=O)C1=NN2C=NC3=C(C2=N1)C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl","DPRJQEGEYJLPKK-UHFFFAOYSA-N","391835",NA,"PDBC35507","691423","Present"
-"Ethyl 11-chloro-13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 7-chloro-9-(3,5-dimethoxybenzyl)-4,5,6,9-tetrahydr...","","CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC(=C3)OC)OC)C4=C(CCC2)C=NO4)Cl","WHDPXWXZHKFJQL-UHFFFAOYSA-N","155808208",NA,"PDBC35508","766939","Present"
-"Ethyl 11-methyl-10-(4-methylphenyl)-2,9,14,17-tetraoxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,15-hexaene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 11-methyl-10-(4-methylphenyl)-2,9,14,17-tetraoxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,15-hexaene-12-carboxylate","","CCOC(=O)C1=C(N(C(=O)C2=CC=CC=C2C(=O)C3=C1C(=O)C=CC3=O)C4=CC=C(C=C4)C)C","ZEFQGCAVAOUOKI-UHFFFAOYSA-N","406012",NA,"PDBC35509","723892","Present"
-"Ethyl 11-oxo-11H-imidazo[1,2-a]thiochromeno[2,3-e]pyridine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxylate","","CCOC(=O)C1=CN2C(=N1)C=CC3=C2C(=O)C4=CC=CC=C4S3","QLBPHWVCKXQXKX-UHFFFAOYSA-N","385054",NA,"PDBC35510","675983","Present"
-"Ethyl 11-oxo-11H-naphtho[1',2':4,5][1,3]thiazolo[3,2-a]pyrimidine-10-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 11-oxo-11H-naphtho[1',2':4,5][1,3]thiazolo[3,2-a]pyrimidine-10-carboxylate","","CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=CC4=CC=CC=C43","JRKWFLJZWMARMT-UHFFFAOYSA-N","364993",NA,"PDBC35511","631902","Present"
-"Ethyl 11-oxo-9,10-dihydro-7H-pyrido[1,2-a]perimidine-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 11-oxo-9,10-dihydro-7H-pyrido[1,2-a]perimidine-8-carboxylate","","CCOC(=O)C1=C2NC3=CC=CC4=C3C(=CC=C4)N2C(=O)CC1","AYMDOOMVDUNAQF-UHFFFAOYSA-N","395886",NA,"PDBC35512","700981","Present"
-"Ethyl 11-oxo-9-phenyl-9,10-dihydro-7H-pyrido[1,2-a]perimidine-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 11-oxo-9-phenyl-9,10-dihydro-7H-pyrido[1,2-a]perimidine-8-carboxylate","","CCOC(=O)C1=C2NC3=CC=CC4=C3C(=CC=C4)N2C(=O)CC1C5=CC=CC=C5","CKUSLIVKOFRVGQ-UHFFFAOYSA-N","394284",NA,"PDBC35513","697650","Present"
-"Ethyl 12-cyanoindolizino[2,3-b]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 12-cyanoindolizino[2,3-b]quinoxaline-2-carboxylate","","CCOC(=O)C1=CC2=C(C3=NC4=CC=CC=C4N=C3N2C=C1)C#N","GRTRAKWBMNSBMA-UHFFFAOYSA-N","375026",NA,"PDBC35514","653852","Present"
-"Ethyl 13,14-dimethyltricyclo[9.4.0.02,7]pentadeca-2,4,6,13-tetraene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 13,14-dimethyltricyclo[9.4.0.02,7]pentadeca-2,4,6,13-tetraene-1-carboxylate","","CCOC(=O)C12CC(=C(CC1CCCC3=CC=CC=C23)C)C","ZXQVMOSXILCBRL-UHFFFAOYSA-N","402683",NA,"PDBC35515","716869","Present"
-"Ethyl 13-[(2-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 9-(2-methoxybenzyl)-4,5,6,9-tetrahydropyrrolo[2',3...","","CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3OC)C4=C(CCC2)C=NO4","RCNUWMKOEMRRAZ-UHFFFAOYSA-N","155811364",NA,"PDBC35516","766927","Present"
-"Ethyl 13-[(3,4,5-trimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 9-(3,4,5-dimethoxybenzyl)-4,5,6,9-tetrahydropyrrol...","","CCOC(=O)C1=CC2=C(N1CC3=CC(=C(C(=C3)OC)OC)OC)C4=C(CCC2)C=NO4","PUIFMIHPKBIRQC-UHFFFAOYSA-N","155808214",NA,"PDBC35517","766929","Present"
-"Ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 9-(3,5-dimethoxybenzyl)-4,5,6,9-tetrahydropyrrolo[...","","CCOC(=O)C1=CC2=C(N1CC3=CC(=CC(=C3)OC)OC)C4=C(CCC2)C=NO4","YNGBQIFIRITUMH-UHFFFAOYSA-N","155809962",NA,"PDBC35518","766978","Present"
-"Ethyl 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 9-(3-methoxybenzyl)-4,5,6,9-tetrahydropyrrolo[2',3...","","CCOC(=O)C1=CC2=C(N1CC3=CC(=CC=C3)OC)C4=C(CCC2)C=NO4","BQNVMWNKOWFTHG-UHFFFAOYSA-N","155811370",NA,"PDBC35519","766977","Present"
-"Ethyl 13-benzyl-11-chloro-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 9-benzyl-7-chloro-4,5,6,9-tetrahydropyrrolo[2',3':...","","CCOC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)C4=C(CCC2)C=NO4)Cl","XFRCWADOUXNVLL-UHFFFAOYSA-N","155805049",NA,"PDBC35520","766937","Present"
-"Ethyl 13-benzyl-3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 13-benzyl-3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate","","CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C(=N3)CC5=CC=CC=C5)CC6=C(C=C(C=C6)Cl)Cl)C","NHSQVWLRUSFVJT-UHFFFAOYSA-N","45028046",NA,"PDBC35521","740842","Present"
-"Ethyl 15-(4-chlorophenyl)-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 15-(4-chlorophenyl)-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)C5=CC=C(C=C5)Cl)C","KILWIVAYAKIZIW-UHFFFAOYSA-N","404600",NA,"PDBC35522","720992","Present"
-"Ethyl 15-[(2,4-dichlorophenyl)methyl]-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 15-[(2,4-dichlorophenyl)methyl]-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)CC5=C(C=C(C=C5)Cl)Cl)C","KMMRSCMIHXNJOU-UHFFFAOYSA-N","24203200",NA,"PDBC35523","727112","Present"
-"Ethyl 15-benzyl-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 15-benzyl-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)CC5=CC=CC=C5)C","BXTNJRVOVQGUCS-UHFFFAOYSA-N","405259",NA,"PDBC35524","722395","Present"
-"Ethyl 16-(3,4-dimethoxyphenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 16-(3,4-dimethoxyphenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene-4-carboxylate","","CCOC(=O)C1=NN2C=NC3=C(C2=N1)C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC(=C(C=C7)OC)OC","SALXCIKFZLQXAQ-UHFFFAOYSA-N","391836",NA,"PDBC35525","691424","Present"
-"Ethyl 16-(4-chlorophenyl)-4-oxo-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,7,11(15),13-pentaene-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 16-(4-chlorophenyl)-4-oxo-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,7,11(15),13-pentaene-5-carboxylate","","CCOC(=O)N1C(=O)N=C2N1C=NC3=C2C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl","DLJFFTTUXUQWQC-UHFFFAOYSA-N","391837",NA,"PDBC35526","691425","Present"
-"Ethyl 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluoroanilino)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluoroanilino)-1-(trifluoromethyl)ethylcarbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C(=C(C(=C1F)F)F)F)F","QCXBFXFWPIOAPP-UHFFFAOYSA-N","383562",NA,"PDBC35527","671980","Present"
-"Ethyl 2,2,2-trifluoro-1-(2-pyrimidinylamino)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2,2-trifluoro-1-(2-pyrimidinylamino)-1-(trifluoromethyl)ethylcarbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=CC=N1","LXVIRNFYZXYNHX-UHFFFAOYSA-N","383573",NA,"PDBC35528","671991","Present"
-"Ethyl 2,2,2-trifluoro-1-(4-(hydroxy(oxido)amino)anilino)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2,2-trifluoro-1-(4-(hydroxy(oxido)amino)anilino)-1-(trifluoromethyl)ethylcarbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)[N+](=O)[O-]","ANVKUTZUSCJLKL-UHFFFAOYSA-N","383558",NA,"PDBC35529","671976","Present"
-"Ethyl 2,2,2-trifluoro-1-(4-(trifluoromethoxy)anilino)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2,2-trifluoro-1-(4-(trifluoromethoxy)anilino)-1-(trifluoromethyl)ethylcarbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)OC(F)(F)F","XTBZVPNOOITMCM-UHFFFAOYSA-N","383565",NA,"PDBC35530","671983","Present"
-"Ethyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)C","QEPJNSZTGVBMQV-UHFFFAOYSA-N","383554",NA,"PDBC35531","671972","Present"
-"Ethyl 2,2,2-trifluoro-1-(trifluoromethyl)-1-(3-(trifluoromethyl)anilino)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2,2-trifluoro-1-(trifluoromethyl)-1-(3-(trifluoromethyl)anilino)ethylcarbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC(=C1)C(F)(F)F","ZJHPSFQNAOXSMX-UHFFFAOYSA-N","383561",NA,"PDBC35532","671979","Present"
-"Ethyl 2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethylcarbamate","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)OC","HZCKHLMRHWVCEQ-UHFFFAOYSA-N","383556",NA,"PDBC35533","671974","Present"
-"Ethyl 2,2,2-tris(1H-indol-3-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2,2-tris(1H-indol-3-yl)acetate","","CCOC(=O)C(C1=CNC2=CC=CC=C21)(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65","FDEKHRAEASSFIG-UHFFFAOYSA-N","400277",NA,"PDBC35534","711811","Present"
-"Ethyl 2,2,4-triethoxy-6-oxospiro[7-oxabicyclo[2.2.1]heptane-5,1'-cyclopropane]-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2,4-triethoxy-6-oxospiro[7-oxabicyclo[2.2.1]heptane-5,1'-cyclopropane]-1-carboxylate","","CCOC(=O)C12C(=O)C3(CC3)C(O1)(CC2(OCC)OCC)OCC","QJLOOONEUDYYTN-UHFFFAOYSA-N","394463",NA,"PDBC35535","697936","Present"
-"Ethyl 2,2-bis(1-methyl-1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2-bis(1-methyl-1H-indol-3-yl)propanoate","","CCOC(=O)C(C)(C1=CN(C2=CC=CC=C21)C)C3=CN(C4=CC=CC=C43)C","ADERMOWTTYJYRP-UHFFFAOYSA-N","362919",NA,"PDBC35536","627394","Present"
-"Ethyl 2,2-bis(2-methyl-1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2-bis(2-methyl-1H-indol-3-yl)propanoate","","CCOC(=O)C(C)(C1=C(NC2=CC=CC=C21)C)C3=C(NC4=CC=CC=C43)C","NCXIIPCDUJPFDG-UHFFFAOYSA-N","362920",NA,"PDBC35537","627395","Present"
-"Ethyl 2,2-bis(naphthalen-2-ylmethyl)-3-oxobutanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2-bis(naphthalen-2-ylmethyl)-3-oxobutanoate","","CCOC(=O)C(CC1=CC2=CC=CC=C2C=C1)(CC3=CC4=CC=CC=C4C=C3)C(=O)C","FELZNIBPNQPTJT-UHFFFAOYSA-N","360280",NA,"PDBC35538","622304","Present"
-"Ethyl 2,2-difluoro-1-(trifluoromethyl)vinyl(methyl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2-difluoro-1-(trifluoromethyl)vinyl(methyl)carbamate","","CCOC(=O)N(C)C(=C(F)F)C(F)(F)F","PLGZDWIMJGCHPX-UHFFFAOYSA-N","382490",NA,"PDBC35539","670096","Present"
-"Ethyl 2,2-dimethyl-4-oxocyclobutanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,2-dimethyl-4-oxocyclobutanecarboxylate","","CCOC(=O)C1C(=O)CC1(C)C","QPSMOCZQGIOYRJ-UHFFFAOYSA-N","379173",NA,"PDBC35540","663585","Present"
-"Ethyl 2,3,4,5-tetraphenyl-2,4-cyclopentadiene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,3,4,5-tetraphenyl-2,4-cyclopentadiene-1-carboxylate","","CCOC(=O)C1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","JNDCAELWRTYTCS-UHFFFAOYSA-N","363825",NA,"PDBC35541","629041","Present"
-"Ethyl 2,3,5-trimethyl-2,3-dihydro-1-benzazepine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepine-1-carboxylate","","CCOC(=O)N1C(C(C=C(C2=CC=CC=C21)C)C)C","USEQSQVGPKPOHD-UHFFFAOYSA-N","379688",NA,"PDBC35542","664563","Present"
-"Ethyl 2,3-dimethyl-2-vinyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,3-dimethyl-2-vinyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate","","CCOC(=O)N1CCC2(CC1)OC(C(O2)(C)C=C)C","NRWRWRMPEGJCID-UHFFFAOYSA-N","395102",NA,"PDBC35543","699393","Present"
-"Ethyl 2,3-dioxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,3-dioxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-1-carboxylate","","CCOC(=O)C1C2C3=C(CCN2C(=O)C1=O)C4=CC=CC=C4N3","HCDOZZPIPLYWPW-UHFFFAOYSA-N","372205",NA,"PDBC35544","647156","Present"
-"Ethyl 2,7-diamino-3,4-dicyano-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-6-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 2,7-diamino-3,4-dicyano-5-(4-methoxyphenyl)H-pyraz...","","CCOC(=O)C1=C(N2C(=C(C(=N2)N)C#N)C(=C1C3=CC=C(C=C3)OC)C#N)N","OBHKFPUJRGVAJS-UHFFFAOYSA-N","155815855",NA,"PDBC35545","798758","Present"
-"Ethyl 2,8-dibenzyl-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,8-dibenzyl-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)NC(=N3)CC4=CC=CC=C4)CC5=CC=CC=C5)C","HYVYPMUFAUCFPT-UHFFFAOYSA-N","45028042",NA,"PDBC35546","740838","Present"
-"Ethyl 2,8-dibenzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,8-dibenzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=C(N3)CC4=CC=CC=C4)CC5=CC=CC=C5)C","CGMCVMQJWVDELE-UHFFFAOYSA-N","45028043",NA,"PDBC35547","740839","Present"
-"Ethyl 2,9-dihydroxy-10-[(4-methoxyphenyl)methyl]-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,9-dihydroxy-10-[(4-methoxyphenyl)methyl]-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate","","CCOC(=O)C1=C(N(C(=C2C=CC=CC2=C(C3=C1C(=O)C=CC3=O)O)O)CC4=CC=C(C=C4)OC)C","AVGSWJOBMUKZNJ-UHFFFAOYSA-N","135585427",NA,"PDBC35548","727110","Present"
-"Ethyl 2,9-dihydroxy-11-methyl-10-(4-methylphenyl)-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2,9-dihydroxy-11-methyl-10-(4-methylphenyl)-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate","","CCOC(=O)C1=C(N(C(=C2C=CC=CC2=C(C3=C1C(=O)C=CC3=O)O)O)C4=CC=C(C=C4)C)C","GIDQKYQHSDVNRD-UHFFFAOYSA-N","406010",NA,"PDBC35549","723890","Present"
-"Ethyl 2-(((3,4-dichloroanilino)carbonyl)amino)-3,3,3-trifluoropropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(((3,4-dichloroanilino)carbonyl)amino)-3,3,3-trifluoropropanoate","","CCOC(=O)C(C(F)(F)F)NC(=O)NC1=CC(=C(C=C1)Cl)Cl","XXFDIRNZDDTXKF-UHFFFAOYSA-N","383650",NA,"PDBC35550","672068","Present"
-"Ethyl 2-(((benzyloxy)carbonyl)amino)acetate","","","","","","","","","","","","","","","","","","","","Z-Gly-OEt","","CCOC(=O)CNC(=O)OCC1=CC=CC=C1","HAIHOTOFCDNWDA-UHFFFAOYSA-N","14366",NA,"PDBC35551","617251","Present"
-"Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-enecarboxylate","","","","","","","","","","","","","","","","","","","","ACT07855","","CCOC(=O)C1=C(CCCC1)OS(=O)(=O)C(F)(F)F","VWIUHGUFSGOXDX-UHFFFAOYSA-N","394599",NA,"PDBC35552","698179","Present"
-"Ethyl 2-((1-adamantylamino)carbonyl)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((1-adamantylamino)carbonyl)hydrazinecarboxylate","","CCOC(=O)NNC(=O)NC12CC3CC(C1)CC(C3)C2","PCCDPHCNTKJXQU-UHFFFAOYSA-N","360487",NA,"PDBC35553","622621","Present"
-"Ethyl 2-((2-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-2-methylpropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((2-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-2-methylpropanoate","","CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Cl","MKTKOOLJSCRZGC-UHFFFAOYSA-N","373056",NA,"PDBC35554","648888","Present"
-"Ethyl 2-((3,4-bis(4-chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((3,4-bis(4-chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate","","CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","WTIYUMAXMMULOQ-UHFFFAOYSA-N","373066",NA,"PDBC35555","648898","Present"
-"Ethyl 2-((3,4-dichlorophenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((3,4-dichlorophenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","CCOC(=O)C1C(=NC(=NC2=CC(=C(C=C2)Cl)Cl)S1)C","KJBNRWAVJKJRJE-UHFFFAOYSA-N","364797",NA,"PDBC35556","631556","Present"
-"Ethyl 2-((3,4-dimethoxyphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((3,4-dimethoxyphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","CCOC(=O)C1C(=NC(=NC2=CC(=C(C=C2)OC)OC)S1)C","HPVMYCFHJLKQJK-UHFFFAOYSA-N","365862",NA,"PDBC35557","633937","Present"
-"Ethyl 2-((3,4-dimethylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((3,4-dimethylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","CCOC(=O)C1C(=NC(=NC2=CC(=C(C=C2)C)C)S1)C","BCBCFUMDROAYLO-UHFFFAOYSA-N","364297",NA,"PDBC35558","630314","Present"
-"Ethyl 2-((3-(4-chlorophenyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((3-(4-chlorophenyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate","","CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)C","PYVKTIMKUAWJIG-UHFFFAOYSA-N","373064",NA,"PDBC35559","648896","Present"
-"Ethyl 2-((3-acetyl-2-phenyl-1,3-thiazolidin-4-yl)carbonyl)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((3-acetyl-2-phenyl-1,3-thiazolidin-4-yl)carbonyl)hydrazinecarboxylate","","CCOC(=O)NNC(=O)C1CSC(N1C(=O)C)C2=CC=CC=C2","PVAXZHBYAYNHQC-UHFFFAOYSA-N","381978",NA,"PDBC35560","669298","Present"
-"Ethyl 2-((3-chloro-2-methylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((3-chloro-2-methylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","CCOC(=O)C1C(=NC(=NC2=C(C(=CC=C2)Cl)C)S1)C","GAOUOZFCGUZWIH-UHFFFAOYSA-N","365861",NA,"PDBC35561","633936","Present"
-"Ethyl 2-((4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate","","CCOC(=O)C(=C(C)O)N=NC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C","RLEDGOMFJBBHQZ-OXSVKWCJSA-N","135494007",NA,"PDBC35562","691084","Present"
-"Ethyl 2-((4-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((4-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate","","CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)Cl","BMEKUDNQMFCMBR-UHFFFAOYSA-N","373067",NA,"PDBC35563","648899","Present"
-"Ethyl 2-((4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate","","CCOC(=O)C(=C(C)O)N=NC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C","OXVWOUXDAFACLY-PGKDKAIYSA-N","135494008",NA,"PDBC35564","691085","Present"
-"Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate","","","","","","","","","","","","","","","","","","","","ethyl 3-oxo-2-[(E)-(4-sulfamoylphenyl)azo]butanoate","","CCOC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)S(=O)(=O)N","OPFIYHKEUYUKOO-UHFFFAOYSA-N","372591",NA,"PDBC35565","647952","Present"
-"Ethyl 2-((4-chloro-2-methylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((4-chloro-2-methylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","CCOC(=O)C1C(=NC(=NC2=C(C=C(C=C2)Cl)C)S1)C","RVOCTVRDKYDJES-UHFFFAOYSA-N","365881",NA,"PDBC35566","633958","Present"
-"Ethyl 2-((4-chlorophenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((4-chlorophenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","CCOC(=O)C1C(=NC(=NC2=CC=C(C=C2)Cl)S1)C","LOZSLWPMGHHHHK-UHFFFAOYSA-N","365853",NA,"PDBC35567","633927","Present"
-"Ethyl 2-((4-methyl-8-quinolinyl)amino)cyclohepta[b]pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((4-methyl-8-quinolinyl)amino)cyclohepta[b]pyrrole-3-carboxylate","","CCOC(=O)C1=C(N=C2C1=CC=CC=C2)NC3=CC=CC4=C(C=CN=C43)C","CDXOTVJYUVXZCH-UHFFFAOYSA-N","379126",NA,"PDBC35568","663402","Present"
-"Ethyl 2-((4-methylphenyl)sulfonyl)cyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((4-methylphenyl)sulfonyl)cyclopentanecarboxylate","","CCOC(=O)C1CCCC1S(=O)(=O)C2=CC=C(C=C2)C","WPQMOYNOQAGPAW-UHFFFAOYSA-N","382191",NA,"PDBC35569","669650","Present"
-"Ethyl 2-((5-((2-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((5-((2-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate","","CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3OC","IJHBOLYIWIMYFD-UHFFFAOYSA-N","373873",NA,"PDBC35570","650836","Present"
-"Ethyl 2-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate","","CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","CYRGUIBVDJAYKQ-UHFFFAOYSA-N","373874",NA,"PDBC35571","650837","Present"
-"Ethyl 2-((9-((2-ethoxy-1-(mercaptomethyl)-2-oxoethyl)amino)-9-oxononanoyl)amino)-3-mercaptopropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[9-[(1-ethoxy-1-oxo-3-sulfanylpropan-2-yl)amino]-9-oxononanoyl]amino]-3-sulfanylpropanoate","","CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)NC(CS)C(=O)OCC","YOUGFGUJHKKGIB-UHFFFAOYSA-N","393119",NA,"PDBC35572","694519","Present"
-"Ethyl 2-((anilinocarbonyl)amino)-2-(3-chloroanilino)-3,3,3-trifluoropropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((anilinocarbonyl)amino)-2-(3-chloroanilino)-3,3,3-trifluoropropanoate","","CCOC(=O)C(C(F)(F)F)(NC1=CC(=CC=C1)Cl)NC(=O)NC2=CC=CC=C2","XZMWITQCEZCTCO-UHFFFAOYSA-N","383660",NA,"PDBC35573","672078","Present"
-"Ethyl 2-((isopropylamino)carbonyl)-1-phenylhydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-((isopropylamino)carbonyl)-1-phenylhydrazinecarboxylate","","CCOC(=O)N(C1=CC=CC=C1)NC(=O)NC(C)C","BZBGEHIOJOHMRL-UHFFFAOYSA-N","390100",NA,"PDBC35574","687043","Present"
-"Ethyl 2-((phenylsulfonyl)methyl)acrylate","","","","","","","","","","","","","","","","","","","","IPHGVOCQEKWURA-UHFFFAOYSA-N","","CCOC(=O)C(=C)CS(=O)(=O)C1=CC=CC=C1","IPHGVOCQEKWURA-UHFFFAOYSA-N","361163",NA,"PDBC35575","623994","Present"
-"Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)propanoate","","CCOC(=O)C(C)N1C(=O)C2=CC=CC=C2S1(=O)=O","TXBFNFLCFHGZDN-UHFFFAOYSA-N","244445",NA,"PDBC35576","55355","Present"
-"Ethyl 2-(1,3-dimethyl-4,6-dioxo-2-phenyl-pyrrolo[3,4-c]pyrrol-5-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(1,3-dimethyl-4,6-dioxo-2-phenyl-pyrrolo[3,4-c]pyrrol-5-yl)acetate","","CCOC(=O)CN1C(=O)C2=C(N(C(=C2C1=O)C)C3=CC=CC=C3)C","CVVMDDORQDGEJN-UHFFFAOYSA-N","389008",NA,"PDBC35577","684446","Present"
-"Ethyl 2-(1-adamantylcarbamoylamino)acetate","","","","","","","","","","","","","","","","","","","","CC 9106","","CCOC(=O)CNC(=O)NC12CC3CC(C1)CC(C3)C2","SPJFEYSTYQLXJT-UHFFFAOYSA-N","308223",NA,"PDBC35578","208914","Present"
-"Ethyl 2-(1-benzoylpiperidin-4-ylidene)acetate","","","","","","","","","","","","","","","","","","","","BIBSDXWBPGZTKL-UHFFFAOYSA-N","","CCOC(=O)C=C1CCN(CC1)C(=O)C2=CC=CC=C2","BIBSDXWBPGZTKL-UHFFFAOYSA-N","358294",NA,"PDBC35579","618236","Present"
-"Ethyl 2-(1-benzyl-2-ethenylpyrrolidin-1-ium-1-yl)acetate;bromide","","","","","","","","","","","","","","","","","","","","1-Benzyl-2-ethenyl-1-(2-ethoxy-2-oxoethyl)pyrrolidinium bromide","","CCOC(=O)C[N+]1(CCCC1C=C)CC2=CC=CC=C2.[Br-]","XYBKOUDTOVPHKR-UHFFFAOYSA-M","376268",NA,"PDBC35580","656975","Present"
-"Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carboxylate","","CCC(C(OCC)OC1=C(CCCC1)C(=O)OCC)[Se]C2=CC=CC=C2","HUESDWACWGOPAJ-UHFFFAOYSA-N","371752",NA,"PDBC35581","646195","Present"
-"Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate","","CCC(C(OCC)OC1=C(CCC1)C(=O)OCC)[Se]C2=CC=CC=C2","KBRPDWXXSKNYHB-UHFFFAOYSA-N","371748",NA,"PDBC35582","646191","Present"
-"Ethyl 2-(1-ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(1-ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carboxylate","","CCOC(C(C)[Se]C1=CC=CC=C1)OC2=C(CCC2)C(=O)OCC","RJECTXCWUJKPHL-UHFFFAOYSA-N","371747",NA,"PDBC35583","646190","Present"
-"Ethyl 2-(1-ethoxy-3-methyl-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(1-ethoxy-3-methyl-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate","","CCOC(C(C(C)C)[Se]C1=CC=CC=C1)OC2=C(CCC2)C(=O)OCC","UNUKZEKFTLZDDA-UHFFFAOYSA-N","371749",NA,"PDBC35584","646192","Present"
-"Ethyl 2-(1-methyl-2,6-dioxo-7H-purin-3-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(1-methyl-2,6-dioxo-7H-purin-3-yl)acetate","","CCOC(=O)CN1C2=C(C(=O)N(C1=O)C)NC=N2","RWRBUIYPCWPJHT-UHFFFAOYSA-N","367815",NA,"PDBC35585","637880","Present"
-"Ethyl 2-(1-naphthylamino)-4-oxo-4,5-dihydro-3-furancarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(1-naphthylamino)-4-oxo-4,5-dihydro-3-furancarboxylate","","CCOC(=O)C1=C(OCC1=O)NC2=CC=CC3=CC=CC=C32","PUZUEQNYTOVFGB-UHFFFAOYSA-N","361017",NA,"PDBC35586","623750","Present"
-"Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","CCOC(=O)C1(CC2=C(C1)C=C3CCCC3=C2)CC4=CC5=C(CCC5)C=C4","XEVNNCVKGIDBNE-UHFFFAOYSA-N","382695",NA,"PDBC35587","670343","Present"
-"Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","CCOC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC5=C(CCC5)C=C4","STXUACZSSBLOCT-UHFFFAOYSA-N","382680",NA,"PDBC35588","670328","Present"
-"Ethyl 2-(2,4-dichloroanilino)-4-oxo-4,5-dihydro-3-furancarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2,4-dichloroanilino)-4-oxo-4,5-dihydro-3-furancarboxylate","","CCOC(=O)C1=C(OCC1=O)NC2=C(C=C(C=C2)Cl)Cl","NLUKOOMFZYOJTP-UHFFFAOYSA-N","360694",NA,"PDBC35589","623030","Present"
-"Ethyl 2-(2,5-dichloroanilino)-2-oxoacetate","","","","","","","","","","","","","","","","","","","","STK082269","","CCOC(=O)C(=O)NC1=C(C=CC(=C1)Cl)Cl","YGFYUTYPNIEDFO-UHFFFAOYSA-N","362279",NA,"PDBC35590","625890","Present"
-"Ethyl 2-(2,6-dimethylanilino)-2-oxo-acetate","","","","","","","","","","","","","","","","","","","","STK028279","","CCOC(=O)C(=O)NC1=C(C=CC=C1C)C","XKILREZHHLCALS-UHFFFAOYSA-N","366750",NA,"PDBC35591","635523","Present"
-"Ethyl 2-(2,6-dioxo-7H-purin-3-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2,6-dioxo-7H-purin-3-yl)acetate","","CCOC(=O)CN1C2=C(C(=O)NC1=O)NC=N2","OQTZQGJTJNWAMO-UHFFFAOYSA-N","367810",NA,"PDBC35592","637875","Present"
-"Ethyl 2-(2-amino-4,5-dioxo-1,3,4a,10b-tetrahydrochromeno[3,4-c]pyridin-2-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-amino-4,5-dioxo-1,3,4a,10b-tetrahydrochromeno[3,4-c]pyridin-2-yl)acetate","","CCOC(=O)CC1(CC2C(C(=O)N1)C(=O)OC3=CC=CC=C23)N","FMKAEKHRUPXDIR-UHFFFAOYSA-N","389425",NA,"PDBC35593","685507","Present"
-"Ethyl 2-(2-butanoylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-butanoylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate","","CCCC(=O)NNC1=C(C=C(N1)C2=CC=C(C=C2)OC)C(=O)OCC","ZHAMCOBMFSUNMT-UHFFFAOYSA-N","42597063",NA,"PDBC35594","741620","Present"
-"Ethyl 2-(2-chloroethylcarbamoylsulfanyl)acetate","","","","","","","","","","","","","","","","","","","","MCS-800","","CCOC(=O)CSC(=O)NCCCl","GOLLXOZWBUZFAO-UHFFFAOYSA-N","369333",NA,"PDBC35595","641087","Present"
-"Ethyl 2-(2-cyano-4-nitroanilino)-2-oxoacetate","","","","","","","","","","","","","","","","","","","","F2189-0095","","CCOC(=O)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N","QMVOXDZQHRKIGN-UHFFFAOYSA-N","366306",NA,"PDBC35596","634657","Present"
-"Ethyl 2-(2-ethoxycarbonyl-5-oxooxolan-3-yl)-5-oxofuran-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-ethoxycarbonyl-5-oxooxolan-3-yl)-5-oxofuran-2-carboxylate","","CCOC(=O)C1C(CC(=O)O1)C2(C=CC(=O)O2)C(=O)OCC","DPGDZEKEPCYVFJ-UHFFFAOYSA-N","377938",NA,"PDBC35597","659606","Present"
-"Ethyl 2-(2-hydroxyethyl)-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-hydroxyethyl)-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate","","CCOC(=O)N1C2=CC=CC=C2C(=O)N1CCO","ZOOYXHWORFNGSS-UHFFFAOYSA-N","354027",NA,"PDBC35598","603975","Present"
-"Ethyl 2-(2-naphthylsulfonylamino)-3-(6-nitro-1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-naphthylsulfonylamino)-3-(6-nitro-1H-indol-3-yl)propanoate","","CCOC(=O)C(CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3","WOKXMSWECMAPRZ-UHFFFAOYSA-N","374102",NA,"PDBC35599","651364","Present"
-"Ethyl 2-(2-nitro-1-phenylethyl)sulfanylbenzoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-nitro-1-phenylethyl)sulfanylbenzoate","","CCOC(=O)C1=CC=CC=C1SC(C[N+](=O)[O-])C2=CC=CC=C2","ZBRQQRZXDOZYEO-UHFFFAOYSA-N","330275",NA,"PDBC35600","317615","Present"
-"Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate","","","","","","","","","","","","","","","","","","","","Propanoic acid, 3,3,3-trifluoro- 2-[(3,4-difluorophenyl)...","","CCOC(=O)C(C(F)(F)F)(NC1=CC(=C(C=C1)F)F)NC(=O)OCC","IBCXUZHHULLMJR-UHFFFAOYSA-N","389162",NA,"PDBC35601","684846","Present"
-"Ethyl 2-(3,4-dimethylanilino)-2-oxoacetate","","","","","","","","","","","","","","","","","","","","A1-00852","","CCOC(=O)C(=O)NC1=CC(=C(C=C1)C)C","WGQGYKSFMHBSCC-UHFFFAOYSA-N","366793",NA,"PDBC35602","635566","Present"
-"Ethyl 2-(3-diethylaminopropanoylamino)thiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(3-diethylaminopropanoylamino)thiazole-4-carboxylate","","CCN(CC)CCC(=O)NC1=NC(=CS1)C(=O)OCC","OKPSHQGAOFIOJM-UHFFFAOYSA-N","396826",NA,"PDBC35603","703830","Present"
-"Ethyl 2-(3H-benzimidazol-4-ylcarbamoyl)pent-4-enoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(1h-benzimidazol-7-ylcarbamoyl)pent-4-enoate","","CCOC(=O)C(CC=C)C(=O)NC1=CC=CC2=C1N=CN2","PKPUREDTQSZWRC-UHFFFAOYSA-N","393560",NA,"PDBC35604","695630","Present"
-"Ethyl 2-(3H-benzimidazol-4-ylcarbamoyl)pentanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(1h-benzimidazol-7-ylcarbamoyl)pentanoate","","CCCC(C(=O)NC1=CC=CC2=C1N=CN2)C(=O)OCC","TUPMTKHREUFARM-UHFFFAOYSA-N","393559",NA,"PDBC35605","695629","Present"
-"Ethyl 2-(4,5-dihydrothiazol-2-ylamino)-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4,5-dihydrothiazol-2-ylamino)-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate","","CCOC(=O)C(C(F)(F)F)(NC1=NCCS1)NC(=O)OCC","SOZVKQFLVNGWAT-UHFFFAOYSA-N","389160",NA,"PDBC35606","684844","Present"
-"Ethyl 2-(4-(3-(4-chlorophenyl)-3-oxo-1-propenyl)phenoxy)-2-methylpropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-(3-(4-chlorophenyl)-3-oxo-1-propenyl)phenoxy)-2-methylpropanoate","","CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl","SQBRVDDXUNNYPO-VGOFMYFVSA-N","5467239",NA,"PDBC35607","648895","Present"
-"Ethyl 2-(4-bromo-2-butenyl)-1-oxo-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-bromo-2-butenyl)-1-oxo-2-indanecarboxylate","","CCOC(=O)C1(CC2=CC=CC=C2C1=O)CC=CCBr","FGOOWFDSMKOWAQ-AATRIKPKSA-N","5351442",NA,"PDBC35608","697875","Present"
-"Ethyl 2-(4-cyanobutanoylamino)-1,3-thiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-cyanobutanoylamino)thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)CCCC#N","LIRIRPIYQYHQMA-UHFFFAOYSA-N","396831",NA,"PDBC35609","703835","Present"
-"Ethyl 2-(4-fluorosulfonylphenyl)-4-hydroxy-6-quinolinecarboxylate","","","","","","","","","","","","","","","","","","","","RPVWQFIPQQFZDG-UHFFFAOYSA-N","","CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)C3=CC=C(C=C3)S(=O)(=O)F","RPVWQFIPQQFZDG-UHFFFAOYSA-N","276750",NA,"PDBC35610","125095","Present"
-"Ethyl 2-(4-hydroxy-2-mercaptopyrimidin-5-yl)acetate","","","","","","","","","","","","","","","","","","","","CE-679","","CCOC(=O)CC1=CNC(=S)NC1=O","AZQJLAUOZFTBTH-UHFFFAOYSA-N","3659581",NA,"PDBC35611","123141","Present"
-"Ethyl 2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidine-6-carboxylate","","CCOC(=O)C1=CN=C2N(C1=O)N=C(O2)C3=CC=C(C=C3)OC","JXGXTTARQPDPFN-UHFFFAOYSA-N","363578",NA,"PDBC35612","628557","Present"
-"Ethyl 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate","","CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]","VSKJSKQPIVUALL-UHFFFAOYSA-N","395851",NA,"PDBC35613","700854","Present"
-"Ethyl 2-(4-oxochromen-5-yl)oxyacetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-oxochromen-5-yl)oxyacetate","","CCOC(=O)COC1=CC=CC2=C1C(=O)C=CO2","WIMMGTSHXAHDNJ-UHFFFAOYSA-N","361667",NA,"PDBC35614","624885","Present"
-"Ethyl 2-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate","","","","","","","","","","","","","","","","","","","","1H-Benz[de]isoquinoline-2(3H)-acetic acid, 5,8-dinitro- ...","","CCOC(=O)CN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-]","GYNLBAFRUMWVHC-UHFFFAOYSA-N","357365",NA,"PDBC35615","615799","Present"
-"Ethyl 2-(5-bromothien-2-ylsulfonyl)-6-chloro-1,3-dihydro-1,4,2-benzodithiazine-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(5-bromothien-2-ylsulfonyl)-6-chloro-1,1-dioxo-3...","","CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NC3=CC=CC=C3)N(S2(=O)=O)S(=O)(=O)C4=CC=C(S4)Br","MDNZGGKOIWRIAV-UHFFFAOYSA-N","24205035",NA,"PDBC35616","734039","Present"
-"Ethyl 2-(5-chloro-2-hydroxypyrido[2,3-g]quinoxalin-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(5-chloro-2-hydroxypyrido[2,3-g]quinoxalin-3-yl)propanoate","","CCOC(=O)C(C)C1=NC2=C(C=C3C=CC=NC3=C2Cl)NC1=O","KQOCSYSJMNTJCU-UHFFFAOYSA-N","391277",NA,"PDBC35617","690236","Present"
-"Ethyl 2-(5-chloro-3-hydroxypyrido[2,3-g]quinoxalin-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(5-chloro-3-hydroxypyrido[2,3-g]quinoxalin-2-yl)propanoate","","CCOC(=O)C(C)C1=NC2=C(C(=C3C(=C2)C=CC=N3)Cl)NC1=O","XSZRBRQLHYZSDJ-UHFFFAOYSA-N","394141",NA,"PDBC35618","697368","Present"
-"Ethyl 2-(5-methoxy-1-methyl-4,7-dioxoindol-3-yl)thiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(5-methoxy-1-methyl-4,7-dioxoindol-3-yl)thiazole...","","CCOC(=O)C1=CSC(=N1)C2=CN(C3=C2C(=O)C(=CC3=O)OC)C","URTSZPDLWLNZKK-UHFFFAOYSA-N","392618",NA,"PDBC35619","693177","Present"
-"Ethyl 2-(5-methoxyfuran-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(5-methoxyfuran-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate","","CCOC(=O)C1C2=C(CCN1C(=O)C3=CC=C(O3)OC)C4=CC=CC=C4N2","YGAFXNXUMBVFBM-UHFFFAOYSA-N","372330",NA,"PDBC35620","647388","Present"
-"Ethyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate","","CCOC(=O)CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]","ASFKDMGPCIPEQK-UHFFFAOYSA-N","357363",NA,"PDBC35621","615797","Present"
-"Ethyl 2-(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)acetate","","CCOC(=O)CC1=NN=C2N1C3=CC=CC=C3C(=O)N2C4=CC=CC=C4","NVQLKQAIYMIBLM-UHFFFAOYSA-N","380663",NA,"PDBC35622","666357","Present"
-"Ethyl 2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)acetate","","CCOC(=O)CC1=NC2=CC(=C(C=C2NC1=O)F)F","VLQFUYIXRPAFAI-UHFFFAOYSA-N","389435",NA,"PDBC35623","685517","Present"
-"Ethyl 2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)propanoate","","CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)F)F","AIYMPJGRVCKHGX-UHFFFAOYSA-N","389434",NA,"PDBC35624","685516","Present"
-"Ethyl 2-(6-fluoro-3-hydroxy-7-morpholino-quinoxalin-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(6-fluoro-3-hydroxy-7-morpholino-quinoxalin-2-yl)propanoate","","CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)F)N3CCOCC3","QIDLEPHVYXVBGA-UHFFFAOYSA-N","391192",NA,"PDBC35625","690025","Present"
-"Ethyl 2-(7,8-diacetoxy-4-methyl-2-oxo-chromen-3-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(7,8-diacetoxy-4-methyl-2-oxo-chromen-3-yl)acetate","","CCOC(=O)CC1=C(C2=C(C(=C(C=C2)OC(=O)C)OC(=O)C)OC1=O)C","YJFRZJKLQHGSIB-UHFFFAOYSA-N","390806",NA,"PDBC35626","688804","Present"
-"Ethyl 2-(7-benzyl-2,6-dioxopurin-3-yl)acetate","","","","","","","","","","","","","","","","","","","","QAJVCLQYEWJRPA-UHFFFAOYSA-N","","CCOC(=O)CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3","QAJVCLQYEWJRPA-UHFFFAOYSA-N","367813",NA,"PDBC35627","637878","Present"
-"Ethyl 2-(7-fluoro-2-phenylquinolin-4-yl)oxyacetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(7-fluoro-2-phenyl-4-quinolyl)oxy]acetate","","CCOC(=O)COC1=CC(=NC2=C1C=CC(=C2)F)C3=CC=CC=C3","PSWRUZTZJHWESA-UHFFFAOYSA-N","388497",NA,"PDBC35628","683480","Present"
-"Ethyl 2-(7-fluoro-3-hydroxy-6-morpholino-quinoxalin-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(7-fluoro-3-hydroxy-6-morpholino-quinoxalin-2-yl)propanoate","","CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)N3CCOCC3)F","IECXXILPWHQEIJ-UHFFFAOYSA-N","391193",NA,"PDBC35629","690026","Present"
-"Ethyl 2-(7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)acetate;chloride","","","","","","","","","","","","","","","","","","","","Ethyl 2-(7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)acetate;chloride","","CCOC(=O)C[N+]1=C(C2=C(C=C1)C3=C(N2)C=C(C=C3)OC)C.[Cl-]","XOUCEHFZZRZAHW-UHFFFAOYSA-N","24197872",NA,"PDBC35630","277562","Present"
-"Ethyl 2-(9-chloro-12,13-dimethoxy-3-oxo-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-2-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(9-chloro-12,13-dimethoxy-3-oxo-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-2-yl)acetate","","CCOC(=O)CN1C2=CC(=C(C3=C2C4=C(C=C(C=C4C1=O)C5=CC=CC=C5)C(=N3)Cl)OC)OC","OXAFYGIPDITGTO-UHFFFAOYSA-N","397801",NA,"PDBC35631","706239","Present"
-"Ethyl 2-(9-chloro-12,13-dimethoxy-6-methyl-3-oxo-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-2-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(9-chloro-12,13-dimethoxy-6-methyl-3-oxo-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-2-yl)acetate","","CCOC(=O)CN1C2=CC(=C(C3=C2C4=C(C=C(C=C4C1=O)C)C(=N3)Cl)OC)OC","YINBCGHUQUNTGC-UHFFFAOYSA-N","397800",NA,"PDBC35632","706238","Present"
-"Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-hydroxypropanoate","","","","","","","","","","","","","","","","","","","","STK377694","","CCOC(=O)C(C(F)(F)F)(NC(=O)C)O","FMTMLHIXLZJNTA-UHFFFAOYSA-N","389141",NA,"PDBC35633","684826","Present"
-"Ethyl 2-(allylamino)-4-oxo-4,5-dihydro-3-furancarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(allylamino)-4-oxo-4,5-dihydro-3-furancarboxylate","","CCOC(=O)C1=C(OCC1=O)NCC=C","COKVLPODFGKMDZ-UHFFFAOYSA-N","366149",NA,"PDBC35634","634476","Present"
-"Ethyl 2-(allylimino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(allylimino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate","","CCOC(=O)C1C(=NC(=NCC=C)S1)C","TZBXXJJVVBZVHF-UHFFFAOYSA-N","364286",NA,"PDBC35635","630304","Present"
-"Ethyl 2-(anilinocarbamoyloxy)benzoate","","","","","","","","","","","","","","","","","","","","2-(Ethoxycarbonyl)phenyl 2-phenylhydrazinecarboxylate","","CCOC(=O)C1=CC=CC=C1OC(=O)NNC2=CC=CC=C2","WIQLDOABYYWJBA-UHFFFAOYSA-N","232136",NA,"PDBC35636","29182","Present"
-"Ethyl 2-(benzo[d]thiazol-2-yl)acetate","","","","","","","","","","","","","","","","","","","","AK-79400","","CCOC(=O)CC1=NC2=CC=CC=C2S1","VYMJUZXFYAREJY-UHFFFAOYSA-N","359796",NA,"PDBC35637","621357","Present"
-"Ethyl 2-(benzoylamino)-2-(4-(((2,6-dimethyl-4-pyrimidinyl)amino)sulfonyl)anilino)-3,3,3-trifluoropropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzamido-2-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]anilino]-3,3,3-trifluoro-propanoate","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C)NC(=O)C3=CC=CC=C3","VIHLCHVCVNYURN-UHFFFAOYSA-N","383662",NA,"PDBC35638","672080","Present"
-"Ethyl 2-(benzoylamino)-2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-3,3,3-trifluoropropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzamido-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-3,3,3-trifluoro-propanoate","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)C3=CC=CC=C3","JSOJHHYESBAOPR-UHFFFAOYSA-N","383663",NA,"PDBC35639","672081","Present"
-"Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzamido-3,3,3-trifluoro-2-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]propanoate","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C)NC(=O)C3=CC=CC=C3","BIDHEVOACWBNGV-UHFFFAOYSA-N","383666",NA,"PDBC35640","672084","Present"
-"Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4-((2-pyrimidinylamino)sulfonyl)anilino)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4-((2-pyrimidinylamino)sulfonyl)anilino)propanoate","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)NC(=O)C3=CC=CC=C3","BDZXFPKNFTZOSC-UHFFFAOYSA-N","383665",NA,"PDBC35641","672083","Present"
-"Ethyl 2-(benzyloxycarbonylamino)-2-chloro-3,3,3-trifluoro-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(benzyloxycarbonylamino)-2-chloro-3,3,3-trifluoro-propanoate","","CCOC(=O)C(C(F)(F)F)(NC(=O)OCC1=CC=CC=C1)Cl","WAWJUHBERQZKDC-UHFFFAOYSA-N","389151",NA,"PDBC35642","684835","Present"
-"Ethyl 2-(bis(acetyloxy)methyl)nicotinate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(bis(acetyloxy)methyl)nicotinate","","CCOC(=O)C1=C(N=CC=C1)C(OC(=O)C)OC(=O)C","QVKIFUZFGANSBS-UHFFFAOYSA-N","371018",NA,"PDBC35643","644880","Present"
-"Ethyl 2-(butanoylamino)-2-(cyclohexylamino)-3,3,3-trifluoro-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(butyrylamino)-2-(cyclohexylamino)-3,3,3-trifluoropropanoate","","CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1CCCCC1","YZVSGZPLCBLUJX-UHFFFAOYSA-N","389158",NA,"PDBC35644","684842","Present"
-"Ethyl 2-(butanoylamino)-3,3,3-trifluoro-2-[(4-methyl-2-pyridyl)amino]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(butanoylamino)-3,3,3-trifluoro-2-[(4-methyl-2-pyridyl)amino]propanoate","","CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC=CC(=C1)C","BXAWVZFTBKBVLE-UHFFFAOYSA-N","389127",NA,"PDBC35645","684812","Present"
-"Ethyl 2-(butylamino)-4-oxo-4,5-dihydro-3-furancarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(butylamino)-4-oxo-4,5-dihydro-3-furancarboxylate","","CCCCNC1=C(C(=O)CO1)C(=O)OCC","WBHCTAQTSYOENR-UHFFFAOYSA-N","364794",NA,"PDBC35646","631553","Present"
-"Ethyl 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate","","CCCCNC(=O)NC1=C(N2CCCCCC2=C1C(=O)N)C(=O)OCC","RWZGYFQWQFSRTM-UHFFFAOYSA-N","394192",NA,"PDBC35647","697461","Present"
-"Ethyl 2-(dibutoxyphosphoryl)-3,3,3-trifluoro-2-((phenylsulfonyl)amino)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(dibutoxyphosphoryl)-3,3,3-trifluoro-2-((phenylsulfonyl)amino)propanoate","","CCCCOP(=O)(C(C(=O)OCC)(C(F)(F)F)NS(=O)(=O)C1=CC=CC=C1)OCCCC","ACHUBZWZVFDAMN-UHFFFAOYSA-N","383642",NA,"PDBC35648","672060","Present"
-"Ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-(propionylamino)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-(propionylamino)propanoate","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)P(=O)(OCC)OCC","WIJWEPSAFHKVBY-UHFFFAOYSA-N","383644",NA,"PDBC35649","672062","Present"
-"Ethyl 2-(diethoxyphosphoryl)-3-(1-((4-methylphenyl)sulfonyl)-1H-imidazol-4-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(diethoxyphosphoryl)-3-(1-((4-methylphenyl)sulfonyl)-1H-imidazol-4-yl)propanoate","","CCOC(=O)C(CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)P(=O)(OCC)OCC","KZCMWRJJNLJDQV-UHFFFAOYSA-N","382146",NA,"PDBC35650","669591","Present"
-"Ethyl 2-(diethoxyphosphoryl)-3-(2-naphthyl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(diethoxyphosphoryl)-3-(2-naphthyl)acrylate","","CCOC(=O)C(=CC1=CC2=CC=CC=C2C=C1)P(=O)(OCC)OCC","DLECWYVBKQCDRC-NBVRZTHBSA-N","5467568",NA,"PDBC35651","655945","Present"
-"Ethyl 2-(diethoxyphosphoryl)-3-(trimethylsilyl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(diethoxyphosphoryl)-3-(trimethylsilyl)propanoate","","CCOC(=O)C(C[Si](C)(C)C)P(=O)(OCC)OCC","FPBZLSNYVGSOPR-UHFFFAOYSA-N","371705",NA,"PDBC35652","646154","Present"
-"Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate","","","","","","","","","","","","","","","","","","","","Propanoic acid, 3,3,3-trifluoro- 2-[(4-fluorophenyl)amin...","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)OCC","CCSFRRAOBXPBPN-UHFFFAOYSA-N","389161",NA,"PDBC35653","684845","Present"
-"Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propanoate","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)NC(=O)OCC","NHOXJFHCFJIUFI-UHFFFAOYSA-N","384777",NA,"PDBC35654","675213","Present"
-"Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate","","","","","","","","","","","","","","","","","","","","STK367522","","CCOC(=O)C(C(F)(F)F)NC(=O)OCC","YKVQQBYRVSSEGV-UHFFFAOYSA-N","382509",NA,"PDBC35655","670116","Present"
-"Ethyl 2-(furan-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(furan-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate","","CCOC(=O)C1C2=C(CCN1C(=O)C3=CC=CO3)C4=CC=CC=C4N2","KOIXXCPFRKUBEC-UHFFFAOYSA-N","372327",NA,"PDBC35656","647385","Present"
-"Ethyl 2-(hydroxyamino)-3-(4-methoxyphenyl)-3-(phenylthio)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(hydroxyamino)-3-(4-methoxyphenyl)-3-(phenylthio)propanoate","","CCOC(=O)C(C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2)NO","IAQOGSRDZGWBQA-UHFFFAOYSA-N","363259",NA,"PDBC35657","628008","Present"
-"Ethyl 2-(methylamino)-4-oxo-4,5-dihydro-3-furancarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(methylamino)-4-oxo-4,5-dihydro-3-furancarboxylate","","CCOC(=O)C1=C(OCC1=O)NC","OBJKEMDDRWVOOY-UHFFFAOYSA-N","361030",NA,"PDBC35658","623764","Present"
-"Ethyl 2-(naphthalen-2-ylmethyl)-7-oxoazepane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(naphthalen-2-ylmethyl)-7-oxoazepane-2-carboxylate","","CCOC(=O)C1(CCCCC(=O)N1)CC2=CC3=CC=CC=C3C=C2","WLPSALUOTNBGDB-UHFFFAOYSA-N","360274",NA,"PDBC35659","622299","Present"
-"Ethyl 2-(naphthalen-2-ylmethyl)azepane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(naphthalen-2-ylmethyl)azepane-2-carboxylate","","CCOC(=O)C1(CCCCCN1)CC2=CC3=CC=CC=C3C=C2","ZSNNZUVBGIQDQB-UHFFFAOYSA-N","360275",NA,"PDBC35660","622300","Present"
-"Ethyl 2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate","","CCOC(=O)C1=C(SC2=C1CCOC2)NC(=S)NC3=CC=CC=C3","OFCZCHWTORJLNM-UHFFFAOYSA-N","5472328",NA,"PDBC35661","717887","Present"
-"Ethyl 2-(tert-butylamino)-4-oxo-4,5-dihydro-3-furancarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(tert-butylamino)-4-oxo-4,5-dihydro-3-furancarboxylate","","CCOC(=O)C1=C(OCC1=O)NC(C)(C)C","YACKVMYEZPROBR-UHFFFAOYSA-N","360695",NA,"PDBC35662","623031","Present"
-"Ethyl 2-(trifluoromethyl)furo[2,3-f][1,2,5]oxadiazolo[3,4-b]quinoxaline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(trifluoromethyl)furo[2,3-f][1,2,5]oxadiazolo[3,4-b]quinoxaline-3-carboxylate","","CCOC(=O)C1=C(OC2=C1C=CC3=NC4=NON=C4N=C32)C(F)(F)F","ZXRGCTVMURJHPE-UHFFFAOYSA-N","368639",NA,"PDBC35663","639752","Present"
-"Ethyl 2-[(1S,4R)-4-acetyloxycyclopent-2-en-1-yl]-4-[(2-methylpropan-2-yl)oxy]-3-oxobutanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(1s,4r)-4-acetoxy-1-cyclopent-2-enyl]-4-tert-butoxy-3-oxo-butanoate","","CCOC(=O)C(C1CC(C=C1)OC(=O)C)C(=O)COC(C)(C)C","UVHLJZLHSBNDJU-NEJHNUGDSA-N","394628",NA,"PDBC35664","698204","Present"
-"Ethyl 2-[(2-acetamido-4-methylpentanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate","","","","","","","","","","","","","","","","","","","","Alanine, N-(N-acetyl-L-leucyl)-3-[p-[bis(2-chloroethyl)a...","","CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC(C)C)NC(=O)C","SWXCQOFAVJKBPJ-UHFFFAOYSA-N","250390",NA,"PDBC35665","69830","Present"
-"Ethyl 2-[(2-acetamidoacetyl)amino]-3-[2-[3-[2-[(2-acetamidoacetyl)amino]-3-ethoxy-3-oxo-propyl]-1h-indol-2-yl]-1h-indol-3-yl]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(2-acetamidoacetyl)amino]-3-[2-[3-[2-[(2-acetamidoacetyl)amino]-3-ethoxy-3-oxopropyl]-1H-indol-2-yl]-1H-indol-3-yl]propanoate","","CCOC(=O)C(CC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CC(C(=O)OCC)NC(=O)CNC(=O)C)NC(=O)CNC(=O)C","SUHCFADRDOCQQT-UHFFFAOYSA-N","392240",NA,"PDBC35666","692373","Present"
-"Ethyl 2-[(2-benzyloxy-3,4-dioxo-cyclobuten-1-yl)amino]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(2-benzyloxy-3,4-dioxo-cyclobuten-1-yl)amino]acetate","","CCOC(=O)CNC1=C(C(=O)C1=O)OCC2=CC=CC=C2","IMLCIEMEHDKGFI-UHFFFAOYSA-N","388770",NA,"PDBC35667","683848","Present"
-"Ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(10-hydroxy-9-oxo-10-prop-2-enylanthracen-1-yl)amino]ethyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(10-hydroxy-9-oxo-10-prop-2-enylanthracen-1-yl)amino]ethyl]amino]acetate","","CCOC(=O)CN(CCNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2(CC=C)O)CC(=O)OCC","AMZLCRKXWRTJRU-UHFFFAOYSA-N","24206068",NA,"PDBC35668","740001","Present"
-"Ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(tert-butoxycarbonylamino)-3-(4-tert-butoxycarbonyloxyphenyl)propanoate","","CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C","HFGQSEUSMMJEGO-UHFFFAOYSA-N","397412",NA,"PDBC35669","705158","Present"
-"Ethyl 2-[(2-piperidinoacetyl)amino]-1,3-thiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(2-piperidinoacetyl)amino]-1,3-thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCCCC2","ASOYVPVSIVLCLP-UHFFFAOYSA-N","396822",NA,"PDBC35670","703826","Present"
-"Ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate","","CCOC(=O)C1=C(NC(=C1)C2=CC(=C(C=C2)OC)OC)NN=CC3=C(C=CC=C3Cl)Cl","BUIDRDKYWLKGJF-BRJLIKDPSA-N","45027922",NA,"PDBC35671","740127","Present"
-"Ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate","","CCOC(=O)C1=C(NC(=C1)C2=CC=CC=C2)NN=CC3=C(C=CC=C3Cl)Cl","JHOLIVYKPQUWRS-FSJBWODESA-N","45027954",NA,"PDBC35672","740253","Present"
-"Ethyl 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate","","CCOC(=O)C1=C(NC(=C1)C2=CC=CC=C2)NN=CC3=CC=C(C=C3)Cl","CLIDABYVWYUABN-LPYMAVHISA-N","45027953",NA,"PDBC35673","740252","Present"
-"Ethyl 2-[(3-fluoro-1-adamantyl)carbamoylamino]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(3-fluoro-1-adamantyl)carbamoylamino]propanoate","","CCOC(=O)C(C)NC(=O)NC12CC3CC(C1)CC(C3)(C2)F","ZOSXNGVOBGGWPY-UHFFFAOYSA-N","371834",NA,"PDBC35674","646350","Present"
-"Ethyl 2-[(3-methoxyphenyl)amino]-4-oxo-4,5-dihydrofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4,5-dihydro-2-(3'-methoxyanilino)-4-oxofuran-3-car...","","CCOC(=O)C1=C(OCC1=O)NC2=CC(=CC=C2)OC","FJRLVLJZASXGCA-UHFFFAOYSA-N","393790",NA,"PDBC35675","696555","Present"
-"Ethyl 2-[(3S,5E)-3-(benzyloxycarbonylamino)-5-(2-ethoxy-2-oxo-ethylidene)-2-oxo-pyrrolidin-1-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(3S,5E)-5-(2-ethoxy-2-oxoethylidene)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]acetate","","CCOC(=O)CN1C(=CC(=O)OCC)CC(C1=O)NC(=O)OCC2=CC=CC=C2","XAAAXTXCGNLCGN-SFKKXYGYSA-N","5469622",NA,"PDBC35676","690787","Present"
-"Ethyl 2-[(4-diethoxyphosphoryl-3-oxobutanoyl)-[(2,4-dimethoxyphenyl)methyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(4-diethoxyphosphoryl-3-oxobutanoyl)-[(2,4-dimethoxyphenyl)methyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate","","CCOC(=O)C(CCCNC(=O)OC(C)(C)C)N(CC1=C(C=C(C=C1)OC)OC)C(=O)CC(=O)CP(=O)(OCC)OCC","UJPSJWGYPPKXHQ-UHFFFAOYSA-N","359596",NA,"PDBC35677","620617","Present"
-"Ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(furan-2-carbonylamino)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(2-furoylamino)propanoate","","CCOC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C3=CC=CO3","VXMVGEQMRWCYJP-UHFFFAOYSA-N","401439",NA,"PDBC35678","715099","Present"
-"Ethyl 2-[(7-acetamido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)amino]acetate","","","","","","","","","","","","","","","","","","","",".alpha.-D-Glucopyranoside, methyl 2-acetamido-4,6-O-benz...","","CCOC(=O)CNC1C(C(OC2C1OC(OC2)C3=CC=CC=C3)OC)NC(=O)C","CMWLJXGREFYGQC-UHFFFAOYSA-N","363224",NA,"PDBC35679","627966","Present"
-"Ethyl 2-[(7-chloro-10,11-dimethoxy-4-oxo-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaen-3-yl)oxy]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(7-chloro-10,11-dimethoxy-4-oxo-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaen-3-yl)oxy]acetate","","CCOC(=O)COC1=NC2=CC(=C(C3=C2C(=CC(=N3)Cl)C1=O)OC)OC","XTEOWTJRCYUYNE-UHFFFAOYSA-N","397799",NA,"PDBC35680","706237","Present"
-"Ethyl 2-[(7-chloro-4,5-dioxopyrano[3,4-e][1,3]oxazin-2-yl)amino]-3-(4-hydroxyphenyl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(7-chloro-4,5-dioxo-pyrano[3,4-e][1,3]oxazin-2-yl)amino]-3-(4-hydroxyphenyl)propanoate","","CCOC(=O)C(CC1=CC=C(C=C1)O)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl","CVXPNZDLTOVMQP-UHFFFAOYSA-N","396373",NA,"PDBC35681","702322","Present"
-"Ethyl 2-[(7-chloro-4,5-dioxopyrano[3,4-e][1,3]oxazin-2-yl)amino]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(7-chloro-4,5-dioxo-pyrano[3,4-e][1,3]oxazin-2-yl)amino]acetate","","CCOC(=O)CNC1=NC(=O)C2=C(O1)C=C(OC2=O)Cl","QKSWMTWGVUUIHF-UHFFFAOYSA-N","396372",NA,"PDBC35682","702321","Present"
-"Ethyl 2-[(E)-4-bromobut-2-enyl]-1-oxo-tetralin-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(E)-4-bromobut-2-enyl]-1-oxo-tetralin-2-carboxylate","","CCOC(=O)C1(CCC2=CC=CC=C2C1=O)CC=CCBr","TXJJDQQYUDEENI-AATRIKPKSA-N","5470127",NA,"PDBC35683","697876","Present"
-"Ethyl 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetate","","CCOC(=O)CON=C1C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O","UMGFATNCSHQRIG-PTGBLXJZSA-N","135436298",NA,"PDBC35684","717838","Present"
-"Ethyl 2-[(diethoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate","","","","","","","","","","","","","","","","","","","","ZX-AP012773","","CCOC(=O)C(C(F)(F)F)OP(=O)(OCC)OCC","XEZTTYBRBJYINN-UHFFFAOYSA-N","383648",NA,"PDBC35685","672066","Present"
-"Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","XICJPCJVGUIDED-UHFFFAOYSA-N","","CCOC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C","XICJPCJVGUIDED-UHFFFAOYSA-N","357725",NA,"PDBC35686","617242","Present"
-"Ethyl 2-[1-(1,3-dioxoisoindol-2-yl)-2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1,3-thiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[1-(1,3-dioxoisoindol-2-yl)-2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1,3-thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)C(CSCC2=CC=C(C=C2)OC)N3C(=O)C4=CC=CC=C4C3=O","PTAAZYBMBXUBEG-UHFFFAOYSA-N","375652",NA,"PDBC35687","655472","Present"
-"Ethyl 2-[1-adamantylcarbamoyl(ethyl)amino]acetate","","","","","","","","","","","","","","","","","","","","CC 9147","","CCN(CC(=O)OCC)C(=O)NC12CC3CC(C1)CC(C3)C2","AHFGQKXJNIGZBT-UHFFFAOYSA-N","308224",NA,"PDBC35688","208915","Present"
-"Ethyl 2-[1-hydroxy-2,2-bis[(4-methylphenyl)sulfanyl]cyclohexyl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[1-hydroxy-2,2-bis[(4-methylphenyl)sulfanyl]cyclohexyl]acetate","","CCOC(=O)CC1(CCCCC1(SC2=CC=C(C=C2)C)SC3=CC=C(C=C3)C)O","MOCHMAWTQNGFJB-UHFFFAOYSA-N","401322",NA,"PDBC35689","714632","Present"
-"Ethyl 2-[1-methyl-3-(6-methylpyridine-3-carbonyl)indol-2-yl]propanoate","","","","","","","","","","","","","","","","","","","","1H-Indole-2-acetic acid, .alpha.,1-dimethyl-3- [(6-methy...","","CCOC(=O)C(C)C1=C(C2=CC=CC=C2N1C)C(=O)C3=CN=C(C=C3)C","WLCYHJXUIPJJET-UHFFFAOYSA-N","360924",NA,"PDBC35690","623638","Present"
-"Ethyl 2-[2-(2-nitroanilino)thiazol-4-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-(2-nitroanilino)thiazol-4-yl]acetate","","CCOC(=O)CC1=CSC(=N1)NC2=CC=CC=C2[N+](=O)[O-]","XOXCIPXBYNMTBJ-UHFFFAOYSA-N","365883",NA,"PDBC35691","633960","Present"
-"Ethyl 2-[2-(4,9-dioxobenzo[f][1,3]benzothiazol-2-yl)hydrazino]-2-oxo-acetate","","","","","","","","","","","","","","","","","","","","Ethanedioic acid, mono(4,9-dihydro-4,9-dioxonaphtho[2,3-...","","CCOC(=O)C(=O)N=NC1=NC2=C(C3=CC=CC=C3C(=C2S1)O)O","CRHIGZKUBIPEJP-UHFFFAOYSA-N","367754",NA,"PDBC35692","637693","Present"
-"Ethyl 2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl{2-[(4-methylphenyl)sulfonyl]hydrazinyl}[(nonafluorobutyl)sulfonyl]acetate","","CCOC(=O)C(NNS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","TZZXJVVVZIKNOW-UHFFFAOYSA-N","384398",NA,"PDBC35693","674122","Present"
-"Ethyl 2-[2-(allylcarbamoyl)hydrazino]-3,3,3-trifluoro-2-hydroxy-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(2-((allylamino)carbonyl)hydrazino)-3,3,3-trifluoro-2-hydroxypropanoate","","CCOC(=O)C(C(F)(F)F)(NNC(=O)NCC=C)O","WFAOEPWYUSQZEH-UHFFFAOYSA-N","389165",NA,"PDBC35694","684849","Present"
-"Ethyl 2-[2-[(2Z)-2-(2-oxoindolin-3-ylidene)hydrazino]thiazol-4-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-[(2Z)-2-(2-oxoindolin-3-ylidene)hydrazino]thiazol-4-yl]acetate","","CCOC(=O)CC1=CSC(=N1)N=NC2=C(NC3=CC=CC=C32)O","BPCFKWDRAAGODG-UHFFFAOYSA-N","376595",NA,"PDBC35695","657607","Present"
-"Ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-hydroxyprop-1-enyl]-4,5-dimethoxyphenyl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-hydroxyprop-1-enyl]-4,5-dimethoxyphenyl]acetate","","CCOC(=O)CC1=CC(=C(C=C1C(=C(CO)C2=CC(=C(C=C2)OC)OC)Cl)OC)OC","NWVAUIAOCCEITI-QJOMJCCJSA-N","5386815",NA,"PDBC35696","618124","Present"
-"Ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-4,5-dimethoxyphenyl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-4,5-dimethoxyphenyl]acetate","","CCOC(=O)CC1=CC(=C(C=C1C(=C(C=O)C2=CC(=C(C=C2)OC)OC)Cl)OC)OC","QOKNXDZIVXHEOQ-QJOMJCCJSA-N","5386814",NA,"PDBC35697","618123","Present"
-"Ethyl 2-[2-[2-[2-[2-(benzyloxycarbonylamino)propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-[2-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoate","","CCOC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1","LKNSGFCNIPMYTK-UHFFFAOYSA-N","382263",NA,"PDBC35698","669716","Present"
-"Ethyl 2-[2-[2-[2-[2-[2-[2-(benzyloxycarbonylamino)propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-[2-[2-[2-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoate","","CCOC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1","JKESSPSSCVLVBZ-UHFFFAOYSA-N","382264",NA,"PDBC35699","669717","Present"
-"Ethyl 2-[2-[[2,2,2-trifluoro-1-(propanoylamino)-1-(trifluoromethyl)ethyl]amino]thiazol-5-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-[[2,2,2-trifluoro-1-(propanoylamino)-1-(trifluoromethyl)ethyl]amino]thiazol-5-yl]acetate","","CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=C(S1)CC(=O)OCC","MFZIVYFWDZPKNC-UHFFFAOYSA-N","383578",NA,"PDBC35700","671996","Present"
-"Ethyl 2-[3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidin-1-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidin-1-yl]acetate","","CCOC(=O)CN1C(=O)C=CN(C1=O)COCCO","BUICZBJDJZJDGZ-UHFFFAOYSA-N","386536",NA,"PDBC35701","678968","Present"
-"Ethyl 2-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-1-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-1-yl]acetate","","CCOC(=O)CN1C(=O)C(=CN(C1=O)COCCO)C","HTCZAXDWOQNSKM-UHFFFAOYSA-N","386538",NA,"PDBC35702","678970","Present"
-"Ethyl 2-[3-[1-(2-ethoxy-2-oxo-ethyl)-3-hydroxy-5-oxo-2H-pyrrol-4-yl]-5-oxo-2H-pyrrol-1-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[3-[1-(2-ethoxy-2-oxo-ethyl)-3-hydroxy-5-oxo-2H-pyrrol-4-yl]-5-oxo-2H-pyrrol-1-yl]acetate","","CCOC(=O)CN1CC(=CC1=O)C2=C(CN(C2=O)CC(=O)OCC)O","AOLFTJBMUXRGGK-UHFFFAOYSA-N","54680445",NA,"PDBC35703","679191","Present"
-"Ethyl 2-[3-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]pyridin-1-ium-1-yl]acetate;bromide","","","","","","","","","","","","","","","","","","","","Ethyl 2-[3-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]pyridin-1-ium-1-yl]acetate bromide","","CCOC(=O)C[N+]1=CC=CC(=C1)C2(OCCO2)C3=CC4=CC=CC=C4N3.[Br-]","WGVUAAYGFAHZFF-UHFFFAOYSA-M","392292",NA,"PDBC35704","692426","Present"
-"Ethyl 2-[3-benzoyl-4-[(4-benzyloxyphenyl)methyl]-5-oxo-2-phenyl-oxazolidin-4-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[3-benzoyl-4-[(4-benzyloxyphenyl)methyl]-5-oxo-2-phenyl-oxazolidin-4-yl]acetate","","CCOC(=O)CC1(C(=O)OC(N1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5","PTIHGDYJIOWZET-UHFFFAOYSA-N","383833",NA,"PDBC35705","672450","Present"
-"Ethyl 2-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]propanoate","","CCOC(=O)C(C)C1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O","XASNNFVQYWSPSR-UHFFFAOYSA-N","389433",NA,"PDBC35706","685515","Present"
-"Ethyl 2-[3-oxo-7-(trifluoromethyl)-4H-quinoxalin-2-yl]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[3-oxo-7-(trifluoromethyl)-4H-quinoxalin-2-yl]propanoate","","CCOC(=O)C(C)C1=NC2=C(C=CC(=C2)C(F)(F)F)NC1=O","ASNKMCRHFVWMSQ-UHFFFAOYSA-N","389432",NA,"PDBC35707","685514","Present"
-"Ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-10-hydroxy-9-oxo-10-prop-2-enylanthracen-1-yl]oxyacetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-10-hydroxy-9-oxo-10-prop-2-enylanthracen-1-yl]oxyacetate","","CCOC(=O)COC1=C2C(=C(C=C1)OCC(=O)OCC)C(C3=CC=CC=C3C2=O)(CC=C)O","ONAFPFZNRBLZOD-UHFFFAOYSA-N","24205239",NA,"PDBC35708","734719","Present"
-"Ethyl 2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-3,3,3-trifluoro-2-((3-methylbutanoyl)amino)propanoate","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)CC(C)C","LUKRHXWOIHNNBT-UHFFFAOYSA-N","384765",NA,"PDBC35709","675201","Present"
-"Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-(methylcarbamoyloxymethyl)-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-(methylcarbamoyloxymethyl)-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate","","CCOC(=O)CC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)COC(=O)NC","BREOAZMLSWYFIF-UHFFFAOYSA-N","54613610",NA,"PDBC35710","749600","Present"
-"Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate","","CCOC(=O)CC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC","YQHLFPUVCMEHJI-UHFFFAOYSA-N","45028657",NA,"PDBC35711","743565","Present"
-"Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]acetate","","CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=C(C=C3)N(N=N4)CC(=O)OCC)[O-])F","AXMJPEWXHCVVHP-UHFFFAOYSA-N","135426737",NA,"PDBC35712","713636","Present"
-"Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]acetate","","CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=NN(N=C4C=C3)CC(=O)OCC)[O-])F","CJYYCERYNHTVOL-UHFFFAOYSA-N","135426738",NA,"PDBC35713","713637","Present"
-"Ethyl 2-[5-methyl-4-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[5-methyl-4-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]propanoate","","CCOC(=O)C(C)C1=CC(=C(O1)C)C2(OCCO2)C","MHJNTHSCEJZALD-UHFFFAOYSA-N","359527",NA,"PDBC35714","620510","Present"
-"Ethyl 2-[6-[(3-phenylquinoxalin-2-yl)amino]benzotriazol-1-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[6-[(3-phenylquinoxalin-2-yl)amino]benzotriazol-1-yl]acetate","","CCOC(=O)CN1C2=C(C=CC(=C2)NC3=NC4=CC=CC=C4N=C3C5=CC=CC=C5)N=N1","ZQQKJLQFXWRZOV-UHFFFAOYSA-N","399758",NA,"PDBC35715","710852","Present"
-"Ethyl 2-[6-amino-9-[3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]purin-8-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[6-amino-9-[3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]purin-8-yl]acetate","","CCOC(=O)CC1=NC2=C(N=CN=C2N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)N","JILPFSJURDTFKI-UHFFFAOYSA-N","386039",NA,"PDBC35716","677605","Present"
-"Ethyl 2-[6-benzoyl-2-(nitromethyl)-6,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),10,12,14-tetraen-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[6-benzoyl-2-(nitromethyl)-6,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),10,12,14-tetraen-3-yl]acetate","","CCOC(=O)CC1CCN(C2C1(C3=C(C2)C4=CC=CC=C4N3)C[N+](=O)[O-])C(=O)C5=CC=CC=C5","XXNGEZVFFRBSHS-UHFFFAOYSA-N","392528",NA,"PDBC35717","693044","Present"
-"Ethyl 2-[6-fluoro-7-(4-methylpiperazin-1-yl)-3-oxo-4H-quinoxalin-2-yl]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[6-fluoro-7-(4-methylpiperazin-1-yl)-3-oxo-4H-quinoxalin-2-yl]propanoate","","CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)F)N3CCN(CC3)C","WXTDXRYZPOHCHI-UHFFFAOYSA-N","393633",NA,"PDBC35718","695841","Present"
-"Ethyl 2-[7-(2-ethoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[7-(2-ethoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate","","CCOC(=O)CN1CCNCCN(CCNCC1)CC(=O)OCC","OSUSAIGNKHQTHJ-UHFFFAOYSA-N","393880",NA,"PDBC35719","696841","Present"
-"Ethyl 2-[7-hydroxy-3-(4-nitrophenyl)-2-oxo-chroman-4-yl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[7-hydroxy-3-(4-nitrophenyl)-2-oxo-chroman-4-yl]acetate","","CCOC(=O)CC1C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)[N+](=O)[O-]","WPLFDBWMNQEMQG-UHFFFAOYSA-N","381105",NA,"PDBC35720","667268","Present"
-"Ethyl 2-[[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]tetrazol-5-yl]amino]acetate","","","","","","","","","","","","","","","","","","","","Glycine, N-(1-.beta.-D-ribofuranosyl-1H-tetrazol-5-yl)-,...","","CCOC(=O)CNC1=NN=NN1C2C(C(C(O2)CO)O)O","VJYDCIQASGUGEE-UHFFFAOYSA-N","371131",NA,"PDBC35721","645091","Present"
-"Ethyl 2-[[2-(9H-fluoren-9-yl)acetyl]amino]-3-(4-nitrophenyl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[2-(9H-fluoren-9-yl)acetyl]amino]-3-(4-nitrophenyl)propanoate","","CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CC2C3=CC=CC=C3C4=CC=CC=C24","CZDHNHKGWOVFMP-UHFFFAOYSA-N","374103",NA,"PDBC35722","651365","Present"
-"Ethyl 2-[[2-[3-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[2-[3-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate","","CCOC(=O)C1=C(N=C(S1)NC(=O)COC2=CC=CC(=C2)C=C3CCC4=C(C3=O)C=CC(=C4)OC)C","LLLFGHQEZVLOFU-XDHOZWIPSA-N","45028865",NA,"PDBC35723","744646","Present"
-"Ethyl 2-[[2-[3-[(Z)-(4-oxothiochromen-3-ylidene)methyl]phenoxy]acetyl]amino]-1,3-thiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[2-[3-[(Z)-(4-oxothiochromen-3-ylidene)methyl]phenoxy]acetyl]amino]-1,3-thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)NC(=O)COC2=CC=CC(=C2)C=C3CSC4=CC=CC=C4C3=O","JRWDEEVTLXYTJM-MHWRWJLKSA-N","45028767",NA,"PDBC35724","744072","Present"
-"Ethyl 2-[[2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate","","CCOC(=O)C1=C(N=C(S1)NC(=O)COC2=CC=C(C=C2)C=C3CCC4=C(C3=O)C=CC(=C4)OC)C","GRVDEBZOEWDDEY-CPNJWEJPSA-N","45028866",NA,"PDBC35725","744647","Present"
-"Ethyl 2-[[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoyl]amino]acetate","","CCOC(=O)CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2)C(F)(F)F","OQXQPZRGJISKEX-UHFFFAOYSA-N","24203371",NA,"PDBC35726","727687","Present"
-"Ethyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylpentanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylpentanoate","","CCOC(=O)C(CC(C)C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","GOEFRPYTTVKDQU-UHFFFAOYSA-N","399596",NA,"PDBC35727","710487","Present"
-"Ethyl 2-[[3,4-dicarbamoyl-5-(phenylcarbamothioylamino)-1H-pyrrol-2-yl]sulfanyl]acetate","","","","","","","","","","","","","","","","","","","","N-(3.4-dicarbamoyl-5-ethoxycarbonyl-methylthiopyrrol- 2-...","","CCOC(=O)CSC1=C(C(=C(N1)NC(=S)NC2=CC=CC=C2)C(=O)N)C(=O)N","WCVNWBWRMZMEAT-UHFFFAOYSA-N","3004910",NA,"PDBC35728","661168","Present"
-"Ethyl 2-[[4-[(E)-dimethylaminoazo]benzoyl]amino]-3-methyl-butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[4-[(E)-dimethylaminoazo]benzoyl]amino]-3-methyl-butanoate","","CCOC(=O)C(C(C)C)NC(=O)C1=CC=C(C=C1)N=NN(C)C","XQUIYEIYSSJMAB-UHFFFAOYSA-N","374091",NA,"PDBC35729","651351","Present"
-"Ethyl 2-[[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl ((5-(((4,5-diphenyl-1H-imidazol-2-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate","","CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5","RTAXFOWAYXMAMP-UHFFFAOYSA-N","373858",NA,"PDBC35730","650821","Present"
-"Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]-3-methyl-butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]-3-methyl-butanoate","","CCOC(=O)C(C(C)C)NC(=O)C1=C(N=CN1)N=NN(C)C","PGNZFAVCFLDIFM-ISLYRVAYSA-N","135499315",NA,"PDBC35731","651356","Present"
-"Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propanoate","","CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(N=CN2)N=NN(C)C","FUXSWPMIRUNSFI-QURGRASLSA-N","135499316",NA,"PDBC35732","651357","Present"
-"Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]acetate","","CCOC(=O)CNC(=O)C1=C(N=CN1)N=NN(C)C","FBTDTVJGRBRBRB-CCEZHUSRSA-N","135499314",NA,"PDBC35733","651355","Present"
-"Ethyl 2-[[6-(4-chlorophenyl)-7-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[6-(4-chlorophenyl)-7-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetate","","CCOC(=O)CSC1=NN=C2N1N=C(C(=C2)CN3CCCC3)C4=CC=C(C=C4)Cl","SQYAGHZKEGCNEG-UHFFFAOYSA-N","401099",NA,"PDBC35734","713922","Present"
-"Ethyl 2-[benzyl-[(1,3-dibenzoylindol-2-yl)methyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[benzyl-[(1,3-dibenzoylindol-2-yl)methyl]amino]acetate","","CCOC(=O)CN(CC1=CC=CC=C1)CC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","VUPBALJRAAUIAB-UHFFFAOYSA-N","374842",NA,"PDBC35735","653268","Present"
-"Ethyl 2-acetamido-2-cyano-3-(1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-acetamido-2-cyano-3-(1H-indol-3-yl)propanoate","","CCOC(=O)C(CC1=CNC2=CC=CC=C21)(C#N)NC(=O)C","SALBKJMLFPXFNF-UHFFFAOYSA-N","374710",NA,"PDBC35736","652895","Present"
-"Ethyl 2-acetamido-5-[4-(4-acetamido-5-ethoxy-5-oxo-pent-1-ynyl)phenyl]pent-4-ynoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-acetamido-5-[4-(4-acetamido-5-ethoxy-5-oxo-pent-1-ynyl)phenyl]pent-4-ynoate","","CCOC(=O)C(CC#CC1=CC=C(C=C1)C#CCC(C(=O)OCC)NC(=O)C)NC(=O)C","SEVRMINZSVYOHF-UHFFFAOYSA-N","379589",NA,"PDBC35737","664280","Present"
-"Ethyl 2-acetyl-3-phenyl-1H-isoquinoline-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-acetyl-3-phenyl-1,2-dihydro-4-isoquinolinecarboxylate","","CCOC(=O)C1=C(N(CC2=CC=CC=C21)C(=O)C)C3=CC=CC=C3","DHUUQWNYFPJTTO-UHFFFAOYSA-N","372864",NA,"PDBC35738","648554","Present"
-"Ethyl 2-amino-3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-amino-3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylate","","CCOC(=O)C1(CCCC2=C1C(=C(S2)N)C#N)C","LPWNVZCFDOIUBM-UHFFFAOYSA-N","383366",NA,"PDBC35739","671480","Present"
-"Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate","","CCOC(=O)C1(CCC2=C1C(=C(S2)N)C#N)C","ITJDYMOUDAANMI-UHFFFAOYSA-N","383363",NA,"PDBC35740","671477","Present"
-"Ethyl 2-amino-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-amino-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-4-carboxylate","","CCOC(=O)C1CCCCC2=C1C(=C(S2)N)C#N","NWPBHWAQSPPVMT-UHFFFAOYSA-N","383368",NA,"PDBC35741","671482","Present"
-"Ethyl 2-amino-5,6-dihydro-1,10-phenanthroline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-amino-5,6-dihydro-1,10-phenanthroline-3-carboxylate","","CCOC(=O)C1=C(N=C2C(=C1)CCC3=C2N=CC=C3)N","JNYAMUURIHRZEU-UHFFFAOYSA-N","372423",NA,"PDBC35742","647472","Present"
-"Ethyl 2-amino-5-(4-amino-3-ethoxycarbonylphenyl)sulfanylbenzoate","","","","","","","","","","","","","","","","","","","","XFYKIVIHHBDZRA-UHFFFAOYSA-N","","CCOC(=O)C1=C(C=CC(=C1)SC2=CC(=C(C=C2)N)C(=O)OCC)N","XFYKIVIHHBDZRA-UHFFFAOYSA-N","393662",NA,"PDBC35743","695930","Present"
-"Ethyl 2-amino-5-[[3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl 2-amino-5-[[3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride","","CCOC(=O)CNC(=O)C(CSC(=O)N(C1=CC=C(C=C1)Cl)O)NC(=O)CCC(C(=O)OCC)N.Cl","UGZFSSPAUFUEHY-UHFFFAOYSA-N","392750",NA,"PDBC35744","693569","Present"
-"Ethyl 2-anilino-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-anilino-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate","","CCOC(=O)N1CCC2(CC1)CC(=O)N(C2=O)NC3=CC=CC=C3","JCYHWNYGYJQFBK-UHFFFAOYSA-N","380278",NA,"PDBC35745","665757","Present"
-"Ethyl 2-anilino-4-((phenylacetyl)hydrazono)-4,5-dihydro-3-thiophenecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-anilino-4-((phenylacetyl)hydrazono)-4,5-dihydro-3-thiophenecarboxylate","","CCOC(=O)C1=C(CSC1=NC2=CC=CC=C2)NNC(=O)CC3=CC=CC=C3","VOGYSDOJYXBRSZ-UHFFFAOYSA-N","367747",NA,"PDBC35746","637686","Present"
-"Ethyl 2-anilino-4-oxo-4,5-dihydro-3-thiophenecarboxylate","","","","","","","","","","","","","","","","","","","","AB-131/12688744","","CCOC(=O)C1=C(CSC1=NC2=CC=CC=C2)O","PJMOPMXQAVHCTP-UHFFFAOYSA-N","135429943",NA,"PDBC35747","623029","Present"
-"Ethyl 2-benzamido-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzamido-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate","","CCOC(=O)C1=C(C(=C2N1CCCCC2)C#N)NC(=O)C3=CC=CC=C3","WVDUPAGTVPRCFB-UHFFFAOYSA-N","394189",NA,"PDBC35748","697458","Present"
-"Ethyl 2-benzamido-2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3,3,3-trifluoro-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzamido-2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3,3,3-trifluoro-propanoate","","CCOC(=O)C(C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C)(C(F)(F)F)NC(=O)C3=CC=CC=C3","WAIZHHOODAMWKP-UHFFFAOYSA-N","383667",NA,"PDBC35749","672085","Present"
-"Ethyl 2-benzamido-2-[4-chloro-2-(trifluoromethyl)anilino]-3,3,3-trifluoropropionate","","","","","","","","","","","","","","","","","","","","Propanoic acid, 3,3,3-trifluoro- 2-[[4-chloro-2-(trifluo...","","CCOC(=O)C(C(F)(F)F)(NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC(=O)C2=CC=CC=C2","UHHDHHUOSDWAES-UHFFFAOYSA-N","389171",NA,"PDBC35750","684855","Present"
-"Ethyl 2-benzamido-2-benzyl-3-(5-hydroxypyridin-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzamido-2-benzyl-3-(5-hydroxy-2-pyridyl)propanoate","","CCOC(=O)C(CC1=CC=CC=C1)(CC2=NC=C(C=C2)O)NC(=O)C3=CC=CC=C3","KIHHHCBZVPQVFU-UHFFFAOYSA-N","397813",NA,"PDBC35751","706389","Present"
-"Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate","","","","","","","","","","","","","","","","","","","","STL325884","","CCOC(=O)C(C(F)(F)F)(NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3","WYHVFDDBLHCEJQ-UHFFFAOYSA-N","389131",NA,"PDBC35752","684816","Present"
-"Ethyl 2-benzamido-3,3,3-trifluoro-2-morpholinopropionate","","","","","","","","","","","","","","","","","","","","STL322526","","CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)N2CCOCC2","BXCXPMIAMBTWPU-UHFFFAOYSA-N","389129",NA,"PDBC35753","684814","Present"
-"Ethyl 2-benzamido-3-(4-hydroxyanilino)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzamido-3-(4-hydroxyanilino)propanoate","","CCOC(=O)C(CNC1=CC=C(C=C1)O)NC(=O)C2=CC=CC=C2","KAAJPDCQBRIJAD-UHFFFAOYSA-N","332373",NA,"PDBC35754","329099","Present"
-"Ethyl 2-benzamido-3-(5-hydroxypyridin-2-yl)-2-methylpropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzamido-3-(5-hydroxy-2-pyridyl)-2-methyl-propanoate","","CCOC(=O)C(C)(CC1=NC=C(C=C1)O)NC(=O)C2=CC=CC=C2","UZJIEETVKCAVMW-UHFFFAOYSA-N","397812",NA,"PDBC35755","706388","Present"
-"Ethyl 2-benzoyl-4-(2-thienyl)-2,3-butadienoate","","","","","","","","","","","","","","","","","","","","Ethyl-.alpha.-benzoyl-.beta.(2-thenylidene)acrylate","","CCOC(=O)C(=C=CC1=CC=CS1)C(=O)C2=CC=CC=C2","GFVGOFYFFHGBEW-UHFFFAOYSA-N","370285",NA,"PDBC35756","643136","Present"
-"Ethyl 2-benzoyl-5-benzyl-7,7-dichloro-2-azabicyclo[4.1.0]heptane-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-benzyl-7,7-dichloro-2-(phenylcarbonyl)-2-azabicyclo[4.1.0]heptane-5-carboxylate","","CCOC(=O)C1(CCN(C2C1C2(Cl)Cl)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4","RCYHPNSOHVPTPQ-UHFFFAOYSA-N","402677",NA,"PDBC35757","716863","Present"
-"Ethyl 2-benzyl-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzyl-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","CCOC(=O)C1(CC2=C(C1)C=C3CCCC3=C2)CC4=CC=CC=C4","HUMMYNAPKUOTDG-UHFFFAOYSA-N","382694",NA,"PDBC35758","670342","Present"
-"Ethyl 2-benzyl-1-(2-ethoxy-2-oxo-ethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzyl-1-(2-ethoxy-2-oxo-ethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate","","CCOC(=O)CC1(C2=C(CCN1CC3=CC=CC=C3)C4=CC=CC=C4N2)C(=O)OCC","AGXRALYBAZSIDF-UHFFFAOYSA-N","372190",NA,"PDBC35759","647140","Present"
-"Ethyl 2-benzyl-1-oxo-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzyl-1-oxo-2-indanecarboxylate","","CCOC(=O)C1(CC2=CC=CC=C2C1=O)CC3=CC=CC=C3","OTRAGNSDDQCGIO-UHFFFAOYSA-N","382677",NA,"PDBC35760","670325","Present"
-"Ethyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate","","CCOC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC=CC=C4","HQRXICSAHZVNDF-UHFFFAOYSA-N","384729",NA,"PDBC35761","674965","Present"
-"Ethyl 2-benzyl-4-oxo-1,3-dihydroisoquinoline-3-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC627680","","CCOC(=O)C1C(=O)C2=CC=CC=C2CN1CC3=CC=CC=C3.Cl","GLAARMNTTUOEMG-UHFFFAOYSA-N","363111",NA,"PDBC35762","627680","Present"
-"Ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)NC(=N3)CC4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl)C","DZJIFIQXARESFU-UHFFFAOYSA-N","45028044",NA,"PDBC35763","740840","Present"
-"Ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=C(N3)CC4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl)C","RWWYRUJGSKMFHL-UHFFFAOYSA-N","45028045",NA,"PDBC35764","740841","Present"
-"Ethyl 2-benzylazepane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-benzylazepane-2-carboxylate","","CCOC(=O)C1(CCCCCN1)CC2=CC=CC=C2","ARFWYGBVJQPYOZ-UHFFFAOYSA-N","360277",NA,"PDBC35765","622302","Present"
-"Ethyl 2-benzylsulfanylimidazo[2,1-a]isoquinoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","AF-407/34872015","","CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SCC4=CC=CC=C4","KIIITABSNSDVRV-UHFFFAOYSA-N","389958",NA,"PDBC35766","686661","Present"
-"Ethyl 2-butyramido-3,3,3-trifluoro-2-morpholinopropionate","","","","","","","","","","","","","","","","","","","","FIUDVPUYCAIGIO-UHFFFAOYSA-N","","CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)N1CCOCC1","FIUDVPUYCAIGIO-UHFFFAOYSA-N","389133",NA,"PDBC35767","684818","Present"
-"Ethyl 2-carbamoyl-2-[7-nitro-3-(2-oxo-2-phenylethylidene)(4-hydroquinoxalin-2-yl)]acetate","","","","","","","","","","","","","","","","","","","","Ethyl 3-amino-2-[3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitroquinoxalin-2-yl]-3-oxopropanoate","","CCOC(=O)C(C1=NC2=C(C=CC(=C2)[N+](=O)[O-])N=C1C=C(C3=CC=CC=C3)O)C(=O)N","HVIHWUPIONXQQO-BOPFTXTBSA-N","135426688",NA,"PDBC35768","707073","Present"
-"Ethyl 2-chloro-2-((((1-chloro-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl)amino)carbonyl)amino)-3,3,3-trifluoropropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-chloro-2-[(2-chloro-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)carbamoylamino]-3,3,3-trifluoropropanoate","","CCOC(=O)C(C(F)(F)F)(NC(=O)NC(C(=O)OCC)(C(F)(F)F)Cl)Cl","HJBOFZUWVGXUEQ-UHFFFAOYSA-N","383657",NA,"PDBC35769","672075","Present"
-"Ethyl 2-chloro-5-[(E)-(diaminomethylidenehydrazinylidene)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl 2-chloro-5-[(E)-(diaminomethylidenehydrazinylidene)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate;hydrochloride","","CCOC(=O)C1=C(N2C=C(SC2=N1)Cl)C=NN=C(N)N.Cl","POVTYZVZWYFLMO-UFJIHACCSA-N","24203150",NA,"PDBC35770","726890","Present"
-"Ethyl 2-cyano-2-(7-methoxy-3,4-dioxonaphthalen-1-yl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl 2-cyano-2-(7-methoxy-3,4-dioxonaphthalen-1-yl)acetate","","CCOC(=O)C(C#N)C1=CC(=O)C(=O)C2=C1C=C(C=C2)OC","WJOMOINXACWEMA-UHFFFAOYSA-N","356235",NA,"PDBC35771","611388","Present"
-"Ethyl 2-cyano-3-(4-((2-furylmethyl)thio)-3-(hydroxy(oxido)amino)phenyl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-cyano-3-(4-((2-furylmethyl)thio)-3-(hydroxy(oxido)amino)phenyl)acrylate","","CCOC(=O)C(=CC1=CC(=C(C=C1)SCC2=CC=CO2)[N+](=O)[O-])C#N","ZEPUUVIRGHGCLB-MDWZMJQESA-N","5468616",NA,"PDBC35772","672869","Present"
-"Ethyl 2-cyano-3-(4-quinoline)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-cyano-3-(4-quinoline)acrylate","","CCOC(=O)C(=CC1=CC=NC2=CC=CC=C12)C#N","NHAQXIGAEKRJQM-FMIVXFBMSA-N","5467937",NA,"PDBC35773","660159","Present"
-"Ethyl 2-cyano-3-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-cyano-3-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)acrylate","","CCOC(=O)C(=CC1=COC2=CC(=CC(=C2C1=O)C)C)C#N","KGUSYBNSVVMEON-KPKJPENVSA-N","5468618",NA,"PDBC35774","672871","Present"
-"Ethyl 2-cyano-3-(5-hydroxymethyl-2-furyl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-cyano-3-(5-hydroxymethyl-2-furyl)acrylate","","CCOC(=O)C(=CC1=CC=C(O1)CO)C#N","ALTDTSSIBTUZCU-VMPITWQZSA-N","5467932",NA,"PDBC35775","660154","Present"
-"Ethyl 2-cyano-6,7-dimethyl-1,1-dioxo-4H-furo[3,2-b][1,4]thiazine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-cyano-6,7-dimethyl-4H-furo[3,2-b][1,4]thiazine-3-carboxylate 1,1-dioxide","","CCOC(=O)C1=C(S(=O)(=O)C2=C(N1)OC(=C2C)C)C#N","QREIYDKFRNPXNY-UHFFFAOYSA-N","392830",NA,"PDBC35776","693808","Present"
-"Ethyl 2-cyclopent-3-en-1-yl-3-oxobutanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-cyclopent-3-en-1-yl-3-oxobutanoate","","CCOC(=O)C(C1CC=CC1)C(=O)C","KUQJHADCWCBFRL-UHFFFAOYSA-N","357674",NA,"PDBC35777","617191","Present"
-"Ethyl 2-diazo-3-oxo-3-(tetrazolo[5,1-a]phthalazin-6-ylamino)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-diazo-3-oxo-3-(tetrazolo[5,1-a]phthalazin-6-ylamino)propanoate","","CCOC(=O)C(=[N+]=[N-])C(=O)NC1=NN2C(=NN=N2)C3=CC=CC=C31","ATZISFOTIRQALD-UHFFFAOYSA-N","389855",NA,"PDBC35778","686487","Present"
-"Ethyl 2-diazo-3-oxo-4-thiocyanato-butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-diazo-3-oxo-4-thiocyanato-butanoate","","CCOC(=O)C(=[N+]=[N-])C(=O)CSC#N","IYRXPRWWLVFITN-UHFFFAOYSA-N","394444",NA,"PDBC35779","697919","Present"
-"Ethyl 2-diazo-4-(1,3-dioxoisoindolin-2-yl)-3-oxo-butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-diazo-4-(1,3-dioxoisoindolin-2-yl)-3-oxo-butanoate","","CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)C2=CC=CC=C2C1=O","OULJBQPWQZMXTC-UHFFFAOYSA-N","373273",NA,"PDBC35780","649426","Present"
-"Ethyl 2-diazo-4-(1-hydroxy-5,6-dimethyl-3-oxo-3a,4,7,7a-tetrahydro-1H-isoindol-2-yl)-3-oxo-butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-diazo-4-(1-hydroxy-5,6-dimethyl-3-oxo-3a,4,7,7a-tetrahydro-1H-isoindol-2-yl)-3-oxo-butanoate","","CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(C2CC(=C(CC2C1=O)C)C)O","JBRLCDUTRGXQKV-UHFFFAOYSA-N","373302",NA,"PDBC35781","649451","Present"
-"Ethyl 2-diethoxyphosphoryl-3-hydroxy-3-(4-nitrophenyl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-diethylphophono-3-(p-nitrophenyl)-3-hydroxy prop...","","CCOC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)P(=O)(OCC)OCC","HPXHVYAJDITCRU-UHFFFAOYSA-N","370247",NA,"PDBC35782","643020","Present"
-"Ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate","","CCOC1=C(C(=C(C(=O)N1)C(C2=CC=C(C=C2)F)C3=C(C(=C(NC3=O)OCC)C(=O)OCC)O)O)C(=O)OCC","KALQWLGRPVYYBZ-UHFFFAOYSA-N","54695411",NA,"PDBC35783","722821","Present"
-"Ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate","","CCOC1=C(C(=C(C(=O)N1)C(C2=CC=CS2)C3=C(C(=C(NC3=O)OCC)C(=O)OCC)O)O)C(=O)OCC","QWEIRSUQMPTIKN-UHFFFAOYSA-N","54695397",NA,"PDBC35784","722804","Present"
-"Ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-2-(4-methoxyphenyl)vinyl]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-2-(4-methoxyphenyl)vinyl]indole-1-carboxylate","","CCOC(=O)N1C2=CC=CC=C2C(=C1OC(=O)OCC)C(=CC3=CC=C(C=C3)OC)OC(=O)OCC","MWLIAWYPZMNZEM-PGMHBOJBSA-N","5468209",NA,"PDBC35785","666117","Present"
-"Ethyl 2-ethyl-1-oxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-ethyl-1-oxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate","","CCN1C=C(C2=NC3=CC=CC=C3N2C1=O)C(=O)OCC","OLRRPAZFIHMFEI-UHFFFAOYSA-N","395848",NA,"PDBC35786","700851","Present"
-"Ethyl 2-ethyl-2-(2-((4-(hydroxy(oxido)amino)phenyl)hydrazono)propanoyl)-1-phenylhydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-ethyl-2-(2-((4-(hydroxy(oxido)amino)phenyl)hydrazono)propanoyl)-1-phenylhydrazinecarboxylate","","CCN(C(=O)C(=NNC1=CC=C(C=C1)[N+](=O)[O-])C)N(C2=CC=CC=C2)C(=O)OCC","QZKLOSSYZKNXJH-RCCKNPSSSA-N","9571411",NA,"PDBC35787","655056","Present"
-"Ethyl 2-ethyl-6-(4-morpholinyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-ethyl-6-(4-morpholinyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate","","CCC1=NC(N=C(O1)N2CCOCC2)(C(=O)OCC)C(F)(F)F","YBOXPQACOABEJC-UHFFFAOYSA-N","383685",NA,"PDBC35788","672103","Present"
-"Ethyl 2-ethyl-7-oxoazepane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-ethyl-7-oxoazepane-2-carboxylate","","CCC1(CCCCC(=O)N1)C(=O)OCC","LNOKPACKQBIGTO-UHFFFAOYSA-N","360276",NA,"PDBC35789","622301","Present"
-"Ethyl 2-hydroxy-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthrene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-hydroxy-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthrene-1-carboxylate","","CCOC(=O)C1C(CC2C1C3=CC=CC=C3C4=CC=CC=C24)O","XBBKGMWUFSFRON-UHFFFAOYSA-N","273923",NA,"PDBC35790","119621","Present"
-"Ethyl 2-hydroxy-3-(2-quinoxalinyl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-hydroxy-3-(2-quinoxalinyl)propanoate","","CCOC(=O)C(CC1=NC2=CC=CC=C2N=C1)O","XFNWPISIHLSULE-UHFFFAOYSA-N","241510",NA,"PDBC35791","48961","Present"
-"Ethyl 2-hydroxypyrido[3',2':5,6]thiopyrano[4,3,2-de]quinoline-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 15-oxo-8-thia-6,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaene-16-carboxylate","","CCOC(=O)C1=C2C3=C(N=CC=C3)SC4=CC=CC(=C42)NC1=O","RFPIBMZCWZLLFV-UHFFFAOYSA-N","5465992",NA,"PDBC35792","671268","Present"
-"Ethyl 2-methyl-1-(4-methylphenyl)-5-oxo-4,6,7-triphenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-5-oxo-4,6,7-triphenyl-1-(p-tolyl)-4,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate","","CCOC(=O)C1=C(N(C2=C(C1C3=CC=CC=C3)C(=O)N(C2C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C)C","CBGKKIUWQREWJM-UHFFFAOYSA-N","372843",NA,"PDBC35793","648535","Present"
-"Ethyl 2-methyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate","","CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C","DOIOJXMAZVGICV-UHFFFAOYSA-N","395847",NA,"PDBC35794","700850","Present"
-"Ethyl 2-methyl-2-((2-oxo-4-phenyl-2H-chromen-7-yl)oxy)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-2-((2-oxo-4-phenyl-2H-chromen-7-yl)oxy)propanoate","","CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3","KLWSFBDMUQSNPC-UHFFFAOYSA-N","373065",NA,"PDBC35795","648897","Present"
-"Ethyl 2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanoate","","CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3","AQXCUKCNPFDHAX-UHFFFAOYSA-N","371314",NA,"PDBC35796","645388","Present"
-"Ethyl 2-methyl-4-oxo-2,3,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),10,12-triene-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-4-oxo-2,3,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),10,12-triene-7-carboxylate","","CCOC(=O)C12CCC(=O)N1N(C3=C(N2)C=CC=N3)C","KDHNUVXFYQMVIC-UHFFFAOYSA-N","396077",NA,"PDBC35797","701587","Present"
-"Ethyl 2-methyl-4-oxo-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-11-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-4-oxo-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-11-carboxylate","","CCOC(=O)C1=C2C=CC=CC=C2N3C1=NC(=CC3=O)C","NQSVQZSJADGUFD-UHFFFAOYSA-N","363759",NA,"PDBC35798","628951","Present"
-"Ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate","","CCOC(=O)C1=C(OC(=N1)C)C(F)(F)F","LZPNPKUTEBIRPQ-UHFFFAOYSA-N","357620",NA,"PDBC35799","617144","Present"
-"Ethyl 2-methyl-5-oxo-1,4,6,7-tetraphenyl-4,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-5-oxo-1,4,6,7-tetraphenyl-4,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate","","CCOC(=O)C1=C(N(C2=C(C1C3=CC=CC=C3)C(=O)N(C2C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C","BUDLMGJZVGXNTM-UHFFFAOYSA-N","372842",NA,"PDBC35800","648534","Present"
-"Ethyl 2-methyl-5-oxo-1-(phenylcarbamoylamino)-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-5-oxo-1-(phenylcarbamoylamino)-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate","","CCOC(=O)C1=C(N(C(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)NC5=CC=CC=C5)C","VAIHVLMZTMNPID-UHFFFAOYSA-N","365763",NA,"PDBC35801","633793","Present"
-"Ethyl 2-methyl-5-oxo-4,6,7-triphenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-5-oxo-4,6,7-triphenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate","","CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)N(C2C4=CC=CC=C4)C5=CC=CC=C5)C","KATWQHOUROBKOP-UHFFFAOYSA-N","372841",NA,"PDBC35802","648533","Present"
-"Ethyl 2-methyl-6-oxo-6,9-dihydro-2H-[1,2,3]triazolo[4,5-h]quinoline-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-6-oxo-6,9-dihydro-2H-[1,2,3]triazolo[4,5-h]quinoline-7-carboxylate","","CCOC(=O)C1=CN=C2C(=CC=C3C2=NN(N3)C)C1=O","WORXWILGLJKEPI-UHFFFAOYSA-N","370612",NA,"PDBC35803","643903","Present"
-"Ethyl 2-methyl-7-oxoazepane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-methyl-7-oxoazepane-2-carboxylate","","CCOC(=O)C1(CCCCC(=O)N1)C","LLTKFPYOHKLIAH-UHFFFAOYSA-N","360273",NA,"PDBC35804","622298","Present"
-"Ethyl 2-methylimidazo[1,2-a]pyridine-3-ylcarbamate","","","","","","","","","","","","","","","","","","","","ethyl 2-methylimidazo[1,2-a]pyridine-3-ylcarbamate","","CCOC(=O)NC1=C(N=C2N1C=CC=C2)C","XXLWOWLUUMHFHR-UHFFFAOYSA-N","24205442",NA,"PDBC35805","735536","Present"
-"Ethyl 2-oxo-1-(4-pentenoyl)-3-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-oxo-1-pent-4-enoylpyrrolidine-3-carboxylate","","CCOC(=O)C1CCN(C1=O)C(=O)CCC=C","XJMZIIQVIBCHKW-UHFFFAOYSA-N","394460",NA,"PDBC35806","697934","Present"
-"Ethyl 2-oxo-1-(phenylseleno)cyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-oxo-1-(phenylseleno)cyclopentanecarboxylate","","CCOC(=O)C1(CCCC1=O)[Se]C2=CC=CC=C2","RMSARSBSDZTIQU-UHFFFAOYSA-N","371755",NA,"PDBC35807","646198","Present"
-"Ethyl 2-oxo-2-(2,4,5-trichloroanilino)acetate","","","","","","","","","","","","","","","","","","","","STK059233","","CCOC(=O)C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl","RVJMQHWMRNKBSY-UHFFFAOYSA-N","364759",NA,"PDBC35808","631518","Present"
-"Ethyl 2-oxo-2-[2-(trifluoromethyl)anilino]acetate","","","","","","","","","","","","","","","","","","","","STL261073","","CCOC(=O)C(=O)NC1=CC=CC=C1C(F)(F)F","MSCBOQJZOMFVOS-UHFFFAOYSA-N","366746",NA,"PDBC35809","635519","Present"
-"Ethyl 2-oxo-3-(triphenylphosphoranylidene)propanoate","","","","","","","","","","","","","","","","","","","","ZX-AT021089","","CCOC(=O)C(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","OQLOPRPWPANPIE-UHFFFAOYSA-N","372288",NA,"PDBC35810","647346","Present"
-"Ethyl 2-oxo-4,6-diphenyl-3-(8-quinolinylmethyl)-2H-pyran-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-oxo-4,6-diphenyl-3-(8-quinolinylmethyl)-2H-pyran-5-carboxylate","","CCOC(=O)C1=C(OC(=O)C(=C1C2=CC=CC=C2)CC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5","XUPLFNBASVDMAJ-UHFFFAOYSA-N","379462",NA,"PDBC35811","664015","Present"
-"Ethyl 2-oxo-6-(phenylsulfanylmethyl)chromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","CMOOBRNNWYVBQU-UHFFFAOYSA-N","","CCOC(=O)C1=CC2=C(C=CC(=C2)CSC3=CC=CC=C3)OC1=O","CMOOBRNNWYVBQU-UHFFFAOYSA-N","402511",NA,"PDBC35812","716538","Present"
-"Ethyl 2-oxohexahydrocyclopropa[cd]pentalene-4b(1H)-carboxylate","","","","","","","","","","","","","","","","","","","","AUDPPLJGEFKHCK-UHFFFAOYSA-N","","CCOC(=O)C12C3CCC1C2C(=O)C3","AUDPPLJGEFKHCK-UHFFFAOYSA-N","390954",NA,"PDBC35813","689207","Present"
-"Ethyl 2-phenyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 2-phenyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate","","CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C4=CC=CC=C4","DUGHEVHYXNELJE-UHFFFAOYSA-N","395850",NA,"PDBC35814","700853","Present"
-"Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate","","","","","","","","","","","","","","","","","","","","2-[[.ALPHA.-(8-HYDROXY-7-QUINOLYL)BENZYL]AMINO]BENZOIC A...","","CCOC(=O)C1=CC=CC=C1NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O","CFRIVAVQXGZCHZ-UHFFFAOYSA-N","219567",NA,"PDBC35815","1015","Present"
-"Ethyl 2H-1,4-benzothiazin-3-ylacetate","","","","","","","","","","","","","","","","","","","","EN300-06462","","CCOC(=O)CC1=NC2=CC=CC=C2SC1","IOUCNRJGEKPBCN-UHFFFAOYSA-N","365879",NA,"PDBC35816","633956","Present"
-"Ethyl 3,3,3-trifluoro-2-(((4-fluoroanilino)carbonyl)amino)-2-hydroxypropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3,3,3-trifluoro-2-(((4-fluoroanilino)carbonyl)amino)-2-hydroxypropanoate","","CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)F)O","BWTPRZPEPJFKFX-UHFFFAOYSA-N","383659",NA,"PDBC35817","672077","Present"
-"Ethyl 3,3,3-trifluoro-2-((2-fluorobenzoyl)amino)-2-hydroxypropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3,3,3-trifluoro-2-((2-fluorobenzoyl)amino)-2-hydroxypropanoate","","CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1F)O","FXAKASMYYMSKHS-UHFFFAOYSA-N","389140",NA,"PDBC35818","684825","Present"
-"Ethyl 3,3-di(1-aziridinyl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3,3-di(1-aziridinyl)propanoate","","CCOC(=O)CC(N1CC1)N2CC2","ICZOIUCOVUFDLN-UHFFFAOYSA-N","377655",NA,"PDBC35819","659236","Present"
-"Ethyl 3,4-dimethoxy-alpha-benzoyl cinnamate","","","","","","","","","","","","","","","","","","","","Ethyl 3,4-dimethoxy-.alpha.-benzoyl cinnamate","","CCOC(=O)C(=CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=CC=C2","KDSAZSRAGUJYGY-FOWTUZBSSA-N","50990128",NA,"PDBC35820","643170","Present"
-"Ethyl 3,4-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3,4-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate","","CCOC(=O)C1CC2=C(C(C1C)C)C3=CC=CC=C3N2","ZBGCHLZCCPYOGO-UHFFFAOYSA-N","373649",NA,"PDBC35821","650369","Present"
-"Ethyl 3,5-dibromo-1-methyl-4-(4-nitrophenyl)pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3,5-dibromo-1-methyl-4-(4-nitrophenyl)pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=C(N1C)Br)C2=CC=C(C=C2)[N+](=O)[O-])Br","IDDOOEKVAPJKAG-UHFFFAOYSA-N","378970",NA,"PDBC35822","662562","Present"
-"Ethyl 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=C(N1)Br)C2=CC(=C(C=C2)OC)OC)Br","OMASOAOYMQBFGC-UHFFFAOYSA-N","378973",NA,"PDBC35823","662565","Present"
-"Ethyl 3,5-dibromo-4-(4-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3,5-dibromo-4-(4-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=C(N1C)Br)C2=CC=C(C=C2)Br)Br","JNWCJHNVDNASDR-UHFFFAOYSA-N","378971",NA,"PDBC35824","662563","Present"
-"Ethyl 3,5-dibromo-4-(4-bromophenyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-2-carboxylic acid, 4-(4-bromophenyl)-3,5-dibr...","","CCOC(=O)C1=C(C(=C(N1)Br)C2=CC=C(C=C2)Br)Br","BLHGOYXIPZHZDY-UHFFFAOYSA-N","378972",NA,"PDBC35825","662564","Present"
-"Ethyl 3,5-dibromo-4-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3,5-dibromo-4-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=C(N1C)Br)C2=CC=C(C=C2)OC)Br","IUXQWTPCTXMXNF-UHFFFAOYSA-N","378969",NA,"PDBC35826","662561","Present"
-"Ethyl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 3,5-dinitro-2-(1H-purin-6-ylthio)-, ethyl ...","","CCOC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])SC2=NC=NC3=C2NC=N3","IPWMNOSWXXOIJR-UHFFFAOYSA-N","4331266",NA,"PDBC35827","244714","Present"
-"Ethyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 3,5-dinitro-4-(1H-purin-6-ylthio)-, ethyl ...","","CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]","WTXYVXWWBVDERD-UHFFFAOYSA-N","3938430",NA,"PDBC35828","244708","Present"
-"Ethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1-carboxylate","","CCOC(=O)N1C(=O)N(C(=O)N1)C2=CC=CC=C2","UPLUTGKGPUCJTB-UHFFFAOYSA-N","388175",NA,"PDBC35829","682740","Present"
-"Ethyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2,4,5,7-tetrahydroindazole-5-carboxylate","","CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC(=C(C=C3)O)OC","GOQAODGEMIJTDA-UHFFFAOYSA-N","392847",NA,"PDBC35830","693859","Present"
-"Ethyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-2-phenyl-5,7-dihydro-4H-indazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-hydroxy-4-(4-methoxyphenyl)-6-methyl-3-oxo-2-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate","","CCOC(=O)C1C(C2=C(CC1(C)O)NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC","OZDDGXXLKKQLNX-UHFFFAOYSA-N","392845",NA,"PDBC35831","693857","Present"
-"Ethyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","","CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC=C(C=C3)OC","ISQRJJLVEYIAOG-UHFFFAOYSA-N","392843",NA,"PDBC35832","693855","Present"
-"Ethyl 3-(((6-(((3-ethoxy-3-oxopropyl)amino)carbonyl)-2,8-dimethyl-4-phenoxathiinyl)carbonyl)amino)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[[6-[(3-ethoxy-3-oxopropyl)carbamoyl]-2,8-dimethylphenoxathiine-4-carbonyl]amino]propanoate","","CCOC(=O)CCNC(=O)C1=C2C(=CC(=C1)C)SC3=CC(=CC(=C3O2)C(=O)NCCC(=O)OCC)C","YNRQEGRCFMMXQA-UHFFFAOYSA-N","388288",NA,"PDBC35833","682929","Present"
-"Ethyl 3-((acetyl(methyl)amino)oxy)-3-oxopropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-((acetyl(methyl)amino)oxy)-3-oxopropanoate","","CCOC(=O)CC(=O)ON(C)C(=O)C","YBNZVRKNFHSBFA-UHFFFAOYSA-N","371720",NA,"PDBC35834","646169","Present"
-"Ethyl 3-((acetyloxy)methyl)-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-((acetyloxy)methyl)-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-1-carboxylate","","CCOC(=O)C1=C2CCCCCCCCCCC2=C(N1)COC(=O)C","QXSITRBXWYTNOD-UHFFFAOYSA-N","361647",NA,"PDBC35835","624865","Present"
-"Ethyl 3-((methyl(phenylacetyl)amino)oxy)-3-oxopropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-((methyl(phenylacetyl)amino)oxy)-3-oxopropanoate","","CCOC(=O)CC(=O)ON(C)C(=O)CC1=CC=CC=C1","NPNLAUWTSWBZIU-UHFFFAOYSA-N","371723",NA,"PDBC35836","646172","Present"
-"Ethyl 3-(1,1-diemthylethyl)amino-2-(1H-benzimidazol-2-yl) acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(1,1-diemthylethyl)amino-2-(1H-benzimidazol-2-yl...","","CCOC(=O)C(=CNC(C)(C)C)C1=NC2=CC=CC=C2N1","JTRAJTYBRPARLC-KHPPLWFESA-N","5471368",NA,"PDBC35837","710863","Present"
-"Ethyl 3-(1,1-dimethylethyl)amino-2-(benzoxazol-2-yl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(1,1-dimethylethyl)amino-2-(benzoxazol-2-yl)acry...","","CCOC(=O)C(=CNC(C)(C)C)C1=NC2=CC=CC=C2O1","MLQLSUKECQXOOB-KHPPLWFESA-N","5471370",NA,"PDBC35838","710865","Present"
-"Ethyl 3-(1-acetyl-1H-indol-3-yl)-2-(diethoxyphosphoryl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(1-acetyl-1H-indol-3-yl)-2-(diethoxyphosphoryl)propanoate","","CCOC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)C)P(=O)(OCC)OCC","YQTBZDKZLZTNRV-UHFFFAOYSA-N","382172",NA,"PDBC35839","669631","Present"
-"Ethyl 3-(1-formyl-2-oxocyclohexyl)butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(1-formyl-2-oxocyclohexyl)butanoate","","CCOC(=O)CC(C)C1(CCCCC1=O)C=O","HOBCAXFJIUOXQJ-UHFFFAOYSA-N","371773",NA,"PDBC35840","646217","Present"
-"Ethyl 3-(1H-benzimidazol-7-ylamino)-3-oxopropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(1H-benzimidazol-7-ylamino)-3-oxopropanoate","","CCOC(=O)CC(=O)NC1=CC=CC2=C1N=CN2","MNQCTMKWQNNLOI-UHFFFAOYSA-N","393558",NA,"PDBC35841","695628","Present"
-"Ethyl 3-(1H-indol-3-yl)-4-methyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(1H-indol-3-yl)-4-methyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=CN1)C)C2=CNC3=CC=CC=C32","GAZXWZKUAACEMC-UHFFFAOYSA-N","390183",NA,"PDBC35842","687344","Present"
-"Ethyl 3-(2,2-diethoxyethyl)amino-2-(1H-benzimidazol-2-yl) acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(2,2-diethoxyethyl)amino-2-(1H-benzimidazol-2-yl...","","CCOC(CNC=C(C1=NC2=CC=CC=C2N1)C(=O)OCC)OCC","SWJPPVWOTZQBML-QBFSEMIESA-N","5471362",NA,"PDBC35843","710857","Present"
-"Ethyl 3-(2,3-dihydro-1H-inden-5-yl)-2-(2,3-dihydro-1H-inden-5-ylmethyl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(2,3-dihydro-1H-inden-5-yl)-2-(2,3-dihydro-1H-inden-5-ylmethyl)propanoate","","CCOC(=O)C(CC1=CC2=C(CCC2)C=C1)CC3=CC4=C(CCC4)C=C3","YMQDOTMHVOTRQW-UHFFFAOYSA-N","382779",NA,"PDBC35844","670457","Present"
-"Ethyl 3-(2,3-dimethylanilino)-3-oxopropanimidate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl 3-(2,3-dimethylanilino)-3-oxopropanimidate;hydrochloride","","CCOC(=N)CC(=O)NC1=CC=CC(=C1C)C.Cl","XWLLTNBSQVHMQY-UHFFFAOYSA-N","359789",NA,"PDBC35845","621353","Present"
-"Ethyl 3-(2-benzylidene-1-ethylhydrazino)-2-cyanoacrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(2-benzylidene-1-ethylhydrazino)-2-cyanoacrylate","","CCN(C=C(C#N)C(=O)OCC)N=CC1=CC=CC=C1","YLCKQMBAQJUMIP-WYPLEBNESA-N","9571654",NA,"PDBC35846","695609","Present"
-"Ethyl 3-(2-chloro-3-methylanilino)-3-oxopropanimidate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC621195///NSC621378","","CCOC(=N)CC(=O)NC1=CC=CC(=C1Cl)C.Cl","YQWZAZROQNRBFC-UHFFFAOYSA-N","359750",NA,"PDBC35847","621195///621378","Present"
-"Ethyl 3-(2-ethylanilino)-3-oxopropanimidate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl 3-(2-ethylanilino)-3-oxopropanimidate;hydrochloride","","CCC1=CC=CC=C1NC(=O)CC(=N)OCC.Cl","UVNRLYZRMCFKHL-UHFFFAOYSA-N","359794",NA,"PDBC35848","621356","Present"
-"Ethyl 3-(2-hydroxy-1,1-dimethylethyl)amino-2-(1H-benzimidazol-2-yl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(2-hydroxy-1,1-dimethylethyl)amino-2-(1H- benzim...","","CCOC(=O)C(=CNC(C)(C)CO)C1=NC2=CC=CC=C2N1","WWNBXNWBUUZEFJ-LUAWRHEFSA-N","5471364",NA,"PDBC35849","710859","Present"
-"Ethyl 3-(2-hydroxy-2-phenylethyl)amino-2-(1H-benzimidazol-2-yl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(2-hydroxy-2-phenylethyl)amino-2-(1H-benzimidazo...","","CCOC(=O)C(=CNCC(C1=CC=CC=C1)O)C2=NC3=CC=CC=C3N2","IQZMGWBRLZOIPT-QINSGFPZSA-N","5471365",NA,"PDBC35850","710860","Present"
-"Ethyl 3-(2-methoxy-9-oxo-10(9H)-acridinyl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(2-methoxy-9-oxo-10(9H)-acridinyl)acrylate","","CCOC(=O)C=CN1C2=C(C=C(C=C2)OC)C(=O)C3=CC=CC=C31","APXGUUCNSPKSIG-ZHACJKMWSA-N","5879327",NA,"PDBC35851","646650","Present"
-"Ethyl 3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate","","","","","","","","","","","","","","","","","","","","NSC784697","","CCOC(=O)C1=C2C=CC=CN2C(=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","LHGQNISXBATUMG-UHFFFAOYSA-N","155810440",NA,"PDBC35852","784697","Present"
-"Ethyl 3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC(=C(C(=C3)OC)OC)OC","WNRQLRYNKMQZFC-UHFFFAOYSA-N","392819",NA,"PDBC35853","693775","Present"
-"Ethyl 3-(3,4-dichloroanilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(3,4-dichloroanilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC(=C(C=C3)Cl)Cl","OUHSIOCYIXZVEN-UHFFFAOYSA-N","383931",NA,"PDBC35854","672887","Present"
-"Ethyl 3-(3,4-dimethoxyanilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(3,4-dimethoxyanilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC(=C(C=C3)OC)OC","XQXHQJOUKDXMNS-UHFFFAOYSA-N","383929",NA,"PDBC35855","672885","Present"
-"Ethyl 3-(3,4-dimethoxyanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(3,4-dimethoxyanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC(=C(C=C3)OC)OC","JXVIDFNZNDXUGG-UHFFFAOYSA-N","383932",NA,"PDBC35856","672888","Present"
-"Ethyl 3-(3,5-dimethoxyphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(3,5-dimethoxyphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC(=CC(=C3)OC)OC","VFRPJBXUBGIVPA-UHFFFAOYSA-N","393429",NA,"PDBC35857","695316","Present"
-"Ethyl 3-(3,5-dimethoxyphenoxy)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(3,5-dimethoxyphenoxy)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC(=CC(=C3)OC)OC","JVHKGJUNPLLOCW-UHFFFAOYSA-N","393424",NA,"PDBC35858","695311","Present"
-"Ethyl 3-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(3-benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate","","CCOC(=O)CCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3","OXHSDGMMUGTDRR-UHFFFAOYSA-N","402018",NA,"PDBC35859","715713","Present"
-"Ethyl 3-(3-bromobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 3-(3-bromobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno...","","CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC(=CC=C3)Br)C","KRRPAZVJPMWJFZ-UHFFFAOYSA-N","2792859",NA,"PDBC35860","732884","Present"
-"Ethyl 3-(3-chloroanilino)-3-oxopropanimidate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl 3-(3-chloroanilino)-3-oxopropanimidate;hydrochloride","","CCOC(=N)CC(=O)NC1=CC(=CC=C1)Cl.Cl","XLFXAEPQUNZEPJ-UHFFFAOYSA-N","359754",NA,"PDBC35861","621197","Present"
-"Ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate","","CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)C(=O)OCC)CCC(=O)OCC)C)C","QHLGEWFJGYRRAC-GZTJUZNOSA-N","5472185",NA,"PDBC35862","716812","Present"
-"Ethyl 3-(3-fluorophenyl)acrylate","","","","","","","","","","","","","","","","","","","","1269AE","","CCOC(=O)C=CC1=CC(=CC=C1)F","LXHLBKGIOOFCAR-VOTSOKGWSA-N","5373048",NA,"PDBC35863","636703","Present"
-"Ethyl 3-(3-imino-2,3-dihydro-1H-1,2,4-triazol-1-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(3-imino-2,3-dihydro-1H-1,2,4-triazol-1-yl)propanoate","","CCOC(=O)CCN1C=NC(=N1)N","PTJSXKZQDSTMSW-UHFFFAOYSA-N","363000",NA,"PDBC35864","627539","Present"
-"Ethyl 3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanoate","","CCOC(=O)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl","YXFKLSMNKHZKDS-UHFFFAOYSA-N","365865",NA,"PDBC35865","633940","Present"
-"Ethyl 3-(4,5-dihydro-1H-imidazol-2-yl)-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboximidoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4,5-dihydro-1H-imidazol-2-yl)-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboximidoate","","CCOC(=N)N1C2=CC=CC=C2N(C1=O)C3=NCCN3","DUIWRNXSGKMQSA-UHFFFAOYSA-N","383951",NA,"PDBC35866","672915","Present"
-"Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-2-quinoxalinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-2-quinoxalinecarboxylate","","CCOC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)OCC","OKUQMDYDXQWSQY-UHFFFAOYSA-N","394501",NA,"PDBC35867","698046","Present"
-"Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate","","CCOC(=O)CC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)OCC","ZSWJNNWIDHHZOA-UHFFFAOYSA-N","394499",NA,"PDBC35868","698044","Present"
-"Ethyl 3-(4-(bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-(bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylate","","CCOC(=O)C(=CC1=C(C=C(C=C1)N(CCC#N)CCC#N)C)NC(=O)C=CC2=CC=CC=C2","UTQPTVUFIYSUFK-IZSKEMMWSA-N","6477343",NA,"PDBC35869","645673","Present"
-"Ethyl 3-(4-(ethoxycarbonyl)anilino)-2-quinoxalinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-(ethoxycarbonyl)anilino)-2-quinoxalinecarboxylate","","CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)OCC","QOPDYDFKWLFWCS-UHFFFAOYSA-N","382850",NA,"PDBC35870","670680","Present"
-"Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C=CN1C)C2=CC=C(C=C2)Br","DJXVRLONQBAIBS-UHFFFAOYSA-N","378976",NA,"PDBC35871","662568","Present"
-"Ethyl 3-(4-chloro-5-methyl-2-sulfidophenylamino)-3-(4-dimethylamin o-1-pyridinio)-2-(4-nitrobenzoyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-chloro-5-methyl-2-sulfidophenylamino)-3-(4-di...","","CCOC(=O)C(=C(C1=CC=C(C=C1)[N+](=O)[O-])O)C(=NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)[S-])[N+]3=CC=C(C=C3)N(C)C","YGHIETLTWPKGEX-UHFFFAOYSA-N","135436356",NA,"PDBC35872","720637","Present"
-"Ethyl 3-(4-chloroanilino)-3-oxopropanimidate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-chloroanilino)-3-oxopropanimidate;hydrochloride","","CCOC(=N)CC(=O)NC1=CC=C(C=C1)Cl.Cl","HMBGIYISRHYZCF-UHFFFAOYSA-N","359746",NA,"PDBC35873","621193","Present"
-"Ethyl 3-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-cyano-4-hydroxy-2,6-diphenylcyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-cyano-4-hydroxy-2,6-diphenylcyclohexanecarboxylate","","CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)O)C5=CC=CC=C5)C#N","DPRXSYGUKXKSER-UHFFFAOYSA-N","373625",NA,"PDBC35874","650294","Present"
-"Ethyl 3-(4-chlorophenyl)-3-cyano-2-oxopropanoate","","","","","","","","","","","","","","","","","","","","CXPKQEMUHZDENZ-UHFFFAOYSA-N","","CCOC(=O)C(=O)C(C#N)C1=CC=C(C=C1)Cl","CXPKQEMUHZDENZ-UHFFFAOYSA-N","359722",NA,"PDBC35875","621168","Present"
-"Ethyl 3-(4-cyanophenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-cyanophenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)C#N","XCEQMAUVVNGPPI-UHFFFAOYSA-N","393433",NA,"PDBC35876","695320","Present"
-"Ethyl 3-(4-cyanophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-cyanophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)C#N","IOFRWSKLODSMPB-UHFFFAOYSA-N","394001",NA,"PDBC35877","697104","Present"
-"Ethyl 3-(4-cyanophenoxy)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-cyanophenoxy)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)C#N","ILWISGZLSQIORQ-UHFFFAOYSA-N","393427",NA,"PDBC35878","695314","Present"
-"Ethyl 3-(4-ethoxycarbonylanilino)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-ethoxycarbonylanilino)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)OCC","HEKGKLNBBBWZHD-UHFFFAOYSA-N","383928",NA,"PDBC35879","672884","Present"
-"Ethyl 3-(4-ethoxycarbonylanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-ethoxycarbonylanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)OCC","FHBIQBXTQKGVLO-UHFFFAOYSA-N","383934",NA,"PDBC35880","672890","Present"
-"Ethyl 3-(4-fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)F","QYFRVWLAQZKGPG-UHFFFAOYSA-N","388326",NA,"PDBC35881","683061","Present"
-"Ethyl 3-(4-fluoroanilino)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","2-Quinoxalinecarboxylic acid, 3-[(4-fluorophenyl)amino]-...","","CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC=C(C=C3)F","MLDNGIZDJGXSPI-UHFFFAOYSA-N","387137",NA,"PDBC35882","680553","Present"
-"Ethyl 3-(4-fluorophenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-fluorophenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)F","WQLZXBBOEPMQHJ-UHFFFAOYSA-N","393432",NA,"PDBC35883","695319","Present"
-"Ethyl 3-(4-fluorophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-fluorophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)F","ICCNOQYTKIJGEE-UHFFFAOYSA-N","394000",NA,"PDBC35884","697103","Present"
-"Ethyl 3-(4-fluorophenoxy)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-fluorophenoxy)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)F","MLFFDQNPXOLUIA-UHFFFAOYSA-N","393426",NA,"PDBC35885","695313","Present"
-"Ethyl 3-(4-methoxy(2-methoxy-2-oxo-1-phenylethyl)anilino)-3-oxopropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxy(2-methoxy-2-oxo-1-phenylethyl)anilino)-3-oxopropanoate","","CCOC(=O)CC(=O)N(C1=CC=C(C=C1)OC)C(C2=CC=CC=C2)C(=O)OC","GEFRHGMRFDDGEJ-UHFFFAOYSA-N","353879",NA,"PDBC35886","603442","Present"
-"Ethyl 3-(4-methoxyanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxyanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)OC","SBJJYIDFJOTKKW-UHFFFAOYSA-N","387375",NA,"PDBC35887","681127","Present"
-"Ethyl 3-(4-methoxyanilino)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(4-methoxyphenyl)amino]quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC=C(C=C3)OC","AZVWKIPXJJCKBK-UHFFFAOYSA-N","387135",NA,"PDBC35888","680551","Present"
-"Ethyl 3-(4-methoxycarbonylphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxycarbonylphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)C(=O)OC","LVUUNKWOWCNGGH-UHFFFAOYSA-N","393434",NA,"PDBC35889","695321","Present"
-"Ethyl 3-(4-methoxycarbonylphenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxycarbonylphenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)C(=O)OC","RTPJZGNAVWGDQJ-UHFFFAOYSA-N","394002",NA,"PDBC35890","697105","Present"
-"Ethyl 3-(4-methoxycarbonylphenoxy)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxycarbonylphenoxy)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)C(=O)OC","MHFICXMYDXGOBG-UHFFFAOYSA-N","393430",NA,"PDBC35891","695317","Present"
-"Ethyl 3-(4-methoxyphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxyphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)OC","GMIQIUIUQLUWMP-UHFFFAOYSA-N","393431",NA,"PDBC35892","695318","Present"
-"Ethyl 3-(4-methoxyphenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxyphenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)OC","RVBXTQILDQHMCB-UHFFFAOYSA-N","393999",NA,"PDBC35893","697102","Present"
-"Ethyl 3-(4-methoxyphenoxy)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxyphenoxy)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)OC","HSZRXWURMLLYKP-UHFFFAOYSA-N","393425",NA,"PDBC35894","695312","Present"
-"Ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C=CN1C)C2=CC=C(C=C2)OC","FEJQXJHIDZPIOV-UHFFFAOYSA-N","378975",NA,"PDBC35895","662567","Present"
-"Ethyl 3-(4-methoxyphenyl)-2-butenoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxyphenyl)-2-butenoate","","CCOC(=O)C=C(C)C1=CC=C(C=C1)OC","CFNFDUJWLXMVHH-MDZDMXLPSA-N","5387372",NA,"PDBC35896","622933","Present"
-"Ethyl 3-(4-methoxyphenyl)-2-methyl-4,5-dioxobenzo[e]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxyphenyl)-2-methyl-4,5-dioxo-4,5-dihydro-3h-benzo[e]indole-1-carboxylate","","CCOC(=O)C1=C(N(C2=C1C3=CC=CC=C3C(=O)C2=O)C4=CC=C(C=C4)OC)C","KOVAXUSVFZXVKF-UHFFFAOYSA-N","406009",NA,"PDBC35897","723889","Present"
-"Ethyl 3-(4-methoxyphenyl)-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxyphenyl)-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate","","CCOC(=O)C1=C2N=NN(C(=O)N2C3=CC=CC=C31)C4=CC=C(C=C4)OC","OZEROYIKTYQJND-UHFFFAOYSA-N","396112",NA,"PDBC35898","701660","Present"
-"Ethyl 3-(4-nitrophenyl)prop-2-ynoate","","","","","","","","","","","","","","","","","","","","ACM35283080","","CCOC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]","VOFGHYIUFUAZQO-UHFFFAOYSA-N","348719",NA,"PDBC35899","408181","Present"
-"Ethyl 3-(5,7-diacetyloxy-4-methyl-2-oxochromen-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[5,7-bis(acetyloxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate","","CCOC(=O)CCC1=C(C2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1=O)C","VVYFSEHARHGQRV-UHFFFAOYSA-N","360484",NA,"PDBC35900","622618","Present"
-"Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate","","CCOC(=O)CCC1=CC(=O)OC2=CC(=CC(=C12)O)O","PCIXULUFEVXSSR-UHFFFAOYSA-N","5381487",NA,"PDBC35901","118827","Present"
-"Ethyl 3-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate","","CCOC(=O)CCC1=C(C2=C(C=C(C=C2OC)OC)OC1=O)C","WSOMLBXFEKQJIU-UHFFFAOYSA-N","360483",NA,"PDBC35902","622617","Present"
-"Ethyl 3-(5-amino-4-cyano-1,3-oxazol-2-yl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(5-amino-4-cyano-1,3-oxazol-2-yl)acrylate","","CCOC(=O)C=CC1=NC(=C(O1)N)C#N","FWLHAVVWYWAIFD-ONEGZZNKSA-N","5469600",NA,"PDBC35903","690690","Present"
-"Ethyl 3-(5-nitro-2-furyl)acrylate","","","","","","","","","","","","","","","","","","","","nf 23","","CCOC(=O)C=CC1=CC=C(O1)[N+](=O)[O-]","WGROOPOBLKUOMN-GQCTYLIASA-N","899314",NA,"PDBC35904","6477","Present"
-"Ethyl 3-(6-bromo-8-methoxyimidazo[1,2-a]pyrazin-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(6-bromo-8-methoxyimidazo[1,2-a]pyrazin-2-yl)propanoate","","CCOC(=O)CCC1=CN2C=C(N=C(C2=N1)OC)Br","IQTQXVQURGVYSX-UHFFFAOYSA-N","383014",NA,"PDBC35905","670998","Present"
-"Ethyl 3-(9-chloro-4-hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(9-chloro-4-hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-3-yl)propanoate","","CCOC(=O)CCC1=C(NC2=C(C1=O)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)Cl)C)C","KGDYUZVBRFHQHP-UHFFFAOYSA-N","386719",NA,"PDBC35906","679261","Present"
-"Ethyl 3-(benzenesulfonylsulfanyl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-((dioxido(phenyl)sulfanyl)thio)propanoate","","CCOC(=O)CCSS(=O)(=O)C1=CC=CC=C1","VFJMWEPYGNPHFQ-UHFFFAOYSA-N","396182",NA,"PDBC35907","701730","Present"
-"Ethyl 3-(naphthalene-2-carbonyl)-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(naphthalene-2-carbonyl)-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate","","CCOC(=O)C1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC4=CC=CC=C4C=C3)C(F)(F)F)[O-]","UGEHRZUCYCEOKG-UHFFFAOYSA-N","54613748",NA,"PDBC35908","750203","Present"
-"Ethyl 3-(tolan-4'-yl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(tolan-4'-yl)acrylate","","CCOC(=O)C=CC1=CC=C(C=C1)C#CC2=CC=CC=C2","FWXQQVCPLUTFCM-CCEZHUSRSA-N","24205295",NA,"PDBC35909","734969","Present"
-"Ethyl 3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate","","CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C=N3)CC5=C(C=C(C=C5)Cl)Cl)C","FCTOYDJDKNVGNM-UHFFFAOYSA-N","24205840",NA,"PDBC35910","736915","Present"
-"Ethyl 3-[(2,4-dichlorophenyl)methylamino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(2,4-dichlorophenyl)methylamino]quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=C(C=C(C=C3)Cl)Cl","KPLYNFPYYAGQAL-UHFFFAOYSA-N","388331",NA,"PDBC35911","683066","Present"
-"Ethyl 3-[(2,4-dinitrophenyl)hydrazono]bicyclo[3.2.1]octane-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(2,4-dinitrophenyl)hydrazono]bicyclo[3.2.1]octane-8-carboxylate","","CCOC(=O)C1C2CCC1CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2","BWRSURNCUXHFCI-UHFFFAOYSA-N","390956",NA,"PDBC35912","689209","Present"
-"Ethyl 3-[(2-bromoacetyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","3-Bromoacetamido-benzoic acid ethyl ester","","CCOC(=O)C1=CC(=CC=C1)NC(=O)CBr","RHJZEEATPWQQPX-UHFFFAOYSA-N","398529",NA,"PDBC35913","708444","Present"
-"Ethyl 3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=CC(=C(C(=C3)OC)OC)OC","YIKSYBYTFDTWOZ-UHFFFAOYSA-N","384953",NA,"PDBC35914","675777","Present"
-"Ethyl 3-[(3,4-dichlorophenyl)amino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(3,4-dichlorophenyl)amino]quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC(=C(C=C3)Cl)Cl","KYXLSESNPQHFMS-UHFFFAOYSA-N","382849",NA,"PDBC35915","670679","Present"
-"Ethyl 3-[(3,4-dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(3,4-dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC(=C(C=C3)Cl)Cl","DAPUXPNKAJNYDY-UHFFFAOYSA-N","388332",NA,"PDBC35916","683067","Present"
-"Ethyl 3-[(3,4-dimethoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(3,4-dimethoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC(=C(C=C3)OC)OC","DEZUPVHMVVPZBH-UHFFFAOYSA-N","388333",NA,"PDBC35917","683068","Present"
-"Ethyl 3-[(3,4-dimethoxyphenyl)methylamino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(3,4-dimethoxyphenyl)methylamino]quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=CC(=C(C=C3)OC)OC","JXWGYQCZHLZNOC-UHFFFAOYSA-N","384954",NA,"PDBC35918","675778","Present"
-"Ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 3-(3-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothien...","","CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC(=CC=C3)Cl)C","XYTCHYWMOIFUIE-UHFFFAOYSA-N","1167148",NA,"PDBC35919","732890","Present"
-"Ethyl 3-[(4-ethoxycarbonylphenyl)diazenyl]-4-hydroxybenzoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(4-ethoxycarbonylphenyl)diazenyl]-4-hydroxybenzoate","","CCOC(=O)C1=CC=C(C=C1)N=NC2=C(C=CC(=C2)C(=O)OCC)O","IFCYDGOKBCGZKK-UHFFFAOYSA-N","360169",NA,"PDBC35920","622101","Present"
-"Ethyl 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC=C(C=C3)F","HEDABOPYBDXVSM-UHFFFAOYSA-N","389429",NA,"PDBC35921","685511","Present"
-"Ethyl 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC=C(C=C3)OC","CNRUEPLLHXEFLS-UHFFFAOYSA-N","388330",NA,"PDBC35922","683065","Present"
-"Ethyl 3-[(4-methoxyphenyl)methylamino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(4-methoxybenzylamino)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=CC=C(C=C3)OC","RSXQMVIZBVKTOE-UHFFFAOYSA-N","384958",NA,"PDBC35923","675782","Present"
-"Ethyl 3-[(5-methoxycarbonyl-2-thienyl)amino]-7-(trifluoromethyl)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(5-methoxycarbonyl-2-thienyl)amino]-7-(trifluoromethyl)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(S3)C(=O)OC","VFHLGFVUVVQYSB-UHFFFAOYSA-N","393706",NA,"PDBC35924","696140","Present"
-"Ethyl 3-[(5-methoxycarbonyl-2-thienyl)amino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(5-methoxycarbonyl-2-thienyl)amino]quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC=C(S3)C(=O)OC","NUGZBPUBMHDLLR-UHFFFAOYSA-N","392814",NA,"PDBC35925","693770","Present"
-"Ethyl 3-[(chloroacetyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","3-chloroacetamido-benzoic acid ethyl ester","","CCOC(=O)C1=CC(=CC=C1)NC(=O)CCl","GWRKWJKNWBWCPD-UHFFFAOYSA-N","398528",NA,"PDBC35926","708443","Present"
-"Ethyl 3-[(dimethylamino)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[(dimethylamino)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate","","CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)CN(C)C","LCKSWSNWBPDSBZ-UHFFFAOYSA-N","359144",NA,"PDBC35927","619823","Present"
-"Ethyl 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-4-methyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-4-methyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=CN1)C)C2=CC=CN2C3=C(C=C(C=C3)Cl)[N+](=O)[O-]","VVLXRDSQXPILBD-UHFFFAOYSA-N","390185",NA,"PDBC35928","687346","Present"
-"Ethyl 3-[1-(benzylamino)but-3-enyl]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[1-(benzylamino)but-3-enyl]indole-1-carboxylate","","CCOC(=O)N1C=C(C2=CC=CC=C21)C(CC=C)NCC3=CC=CC=C3","CDDPWFZMNQIGMN-UHFFFAOYSA-N","16721048",NA,"PDBC35929","732425","Present"
-"Ethyl 3-[1-[[(1R)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[1-[[(1R)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate","","CCOC(=O)N1C=C(C2=CC=CC=C21)C(CC=C)NC(CO)C3=CC=CC=C3","OSXLLUZZWLMSAV-LBAQZLPGSA-N","24204948",NA,"PDBC35930","733631","Present"
-"Ethyl 3-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate","","CCOC(=O)N1C=C(C2=CC=CC=C21)C(CC=C)NC(CO)C3=CC=CC=C3","OSXLLUZZWLMSAV-BPGUCPLFSA-N","24204667",NA,"PDBC35931","732427","Present"
-"Ethyl 3-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]but-3-enyl]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]but-3-enyl]indole-1-carboxylate","","CCOC(=O)N1C=C(C2=CC=CC=C21)C(CC=C)NC(CO)C(C)C","RYMLGNJGFLRMIU-QRWMCTBCSA-N","24204668",NA,"PDBC35932","732428","Present"
-"Ethyl 3-[2-(3-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-oxopropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[2-(3-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-oxopropanoate","","CCOC(=O)C(=O)CC1=NC2=CC=CC=C2SC(C1)C3=CC=CC(=C3)C","SCRALNSBOGCTGP-UHFFFAOYSA-N","358408",NA,"PDBC35933","618414","Present"
-"Ethyl 3-[2-(4-fluorophenylcarbamoyl)-5-oxo-7-propyl-5H-[1,2-a]pyrimidin-3-ylcarboxamido]benzoate","","","","","","","","","","","","","","","","","","","","ethyl 3-[2-(4-fluorophenylcarbamoyl)-5-oxo-7-propyl-5H-[...","","CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=CC(=C4)C(=O)OCC","QNYCJSIZVZPGHI-UHFFFAOYSA-N","1426141",NA,"PDBC35934","743218","Present"
-"Ethyl 3-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,3-d]pyrimidin-3-yl]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,7-dihydro-3...","","CCCOC(=O)CCN1C(=O)C2=C(NC=C2C3=CC=CC=C3)N=C1SC","QQUSHXRJHGMLND-UHFFFAOYSA-N","24205305",NA,"PDBC35935","734980","Present"
-"Ethyl 3-[3,4-(methylenedioxy)phenylmethyl]amino-2-(1H-benzimidazol-2-yl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[3,4-(methylenedioxy)phenylmethyl]amino-2-(1H- b...","","CCOC(=O)C(=CNCC1=CC2=C(C=C1)OCO2)C3=NC4=CC=CC=C4N3","DPFOWMWRXFKCFF-KAMYIIQDSA-N","5471363",NA,"PDBC35936","710858","Present"
-"Ethyl 3-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]-4-methyl-6-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C","ZPNAQXQDBOOYCV-UHFFFAOYSA-N","3004305",NA,"PDBC35937","643914","Present"
-"Ethyl 3-[4'-(thien-3''-yl)-1',2'-dihydronaphthalen-3'-yl]acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[4'-(thien-3''-yl)-1',2'-dihydronaphthalen-3'-yl...","","CCOC(=O)C=CC1=C(C2=C(CC1)C=C(C=C2)OC)C3=CSC=C3","QLRFJMGSVNUCGC-RMKNXTFCSA-N","24205739",NA,"PDBC35938","736553","Present"
-"Ethyl 3-[4-(1H-benzo[d]imidazol-2-yl)phenylamino]-2-cyanoacrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[4-(1H-benzo[d]imidazol-2-yl)phenylamino]-2-cyan...","","CCOC(=O)C(=CNC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2)C#N","MGWXFACBTMIALD-WYMLVPIESA-N","8811294",NA,"PDBC35939","729788","Present"
-"Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate","","CCOC(=O)C#CC1=CC=C(C=C1)C#CC(=O)OCC","VXHLFKXIFYDPFI-UHFFFAOYSA-N","323110",NA,"PDBC35940","281930","Present"
-"Ethyl 3-[4-(5-nitro-2-furylacryloyl)aminophenyl]propionate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[4-(5-nitro-2-furylacryloyl)aminophenyl]propionate","","CCOC(=O)CCC1=CC=C(C=C1)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]","XKPGTXPAAQXOAG-CSKARUKUSA-N","5935594",NA,"PDBC35941","667262","Present"
-"Ethyl 3-[4-[(E)-dimethylaminoazo]phenyl]-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[4-[(E)-dimethylaminoazo]phenyl]-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoate","","CCOC(=O)C(CC1=CC=C(C=C1)N=NN(C)C)NC(=O)CC2C3=CC=CC=C3C4=CC=CC=C24","IXXIUYXCQGEDEV-UHFFFAOYSA-N","374092",NA,"PDBC35942","651354","Present"
-"Ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[4-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoylamino]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[4-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoylamino]propanoate","","CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4","IDHGEFGDZPCYJX-UHFFFAOYSA-N","388729",NA,"PDBC35943","683782","Present"
-"Ethyl 3-[6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]dibenzofuran-4-yl]propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]dibenzofuran-4-yl]propanoate","","CCOC(=O)CCC1=C2C(=CC=C1)C3=CC=CC(=C3O2)CCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46","UHEHLXCADKABHP-UHFFFAOYSA-N","396517",NA,"PDBC35944","702759","Present"
-"Ethyl 3-[[1-(2-ethoxy-2-oxoethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[[1-(2-ethoxy-2-oxo-ethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate","","CCOC(=O)CN1C2=C(C=C(C=C2)NC3=NC4=CC=CC=C4N=C3C(=O)OCC)N=N1","AODCDQCFSSOWRS-UHFFFAOYSA-N","399754",NA,"PDBC35945","710848","Present"
-"Ethyl 3-[[2-(2-ethoxy-2-oxoethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[[2-(2-ethoxy-2-oxo-ethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate","","CCOC(=O)CN1N=C2C=CC(=CC2=N1)NC3=NC4=CC=CC=C4N=C3C(=O)OCC","NYFXFNBKTAVKCZ-UHFFFAOYSA-N","399755",NA,"PDBC35946","710849","Present"
-"Ethyl 3-[[3-(2-ethoxy-2-oxoethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[[3-(2-ethoxy-2-oxo-ethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate","","CCOC(=O)CN1C2=C(C=CC(=C2)NC3=NC4=CC=CC=C4N=C3C(=O)OCC)N=N1","CULAMKVSVNIZSO-UHFFFAOYSA-N","399756",NA,"PDBC35947","710850","Present"
-"Ethyl 3-[[5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1H-imidazol-4-yl]diazenyl]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-[[5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1H-imidazol-4-yl]diazenyl]benzoate","","CCOC(=O)C1=CC(=CC=C1)N=NC2=C(NC=N2)C=CC(=O)OC","MVDXZMSQEGHTSK-CSLZILMTSA-N","135436270",NA,"PDBC35948","716679","Present"
-"Ethyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate","","CCOC(=O)C1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C)C(F)(F)F)[O-]","RDQSCLKGYKFXDD-UHFFFAOYSA-N","54613595",NA,"PDBC35949","748717","Present"
-"Ethyl 3-allyl-7,9-dimethyl-4-oxo-2-thioxo-3,4-dihydro-2H-[1,3]thiazino[6,5-b]indolizine-10-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-allyl-7,9-dimethyl-4-oxo-2-thioxo-[1,3]thiazino[6,5-b]indolizine-10-carboxylate","","CCOC(=O)C1=C2C(=CC(=CN2C3=C1SC(=S)N(C3=O)CC=C)C)C","JCDPWVXIPYTTIT-UHFFFAOYSA-N","375060",NA,"PDBC35950","653943","Present"
-"Ethyl 3-amino-2-((benzylamino)carbothioyl)-3-(1-pyrrolidinyl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-amino-2-((benzylamino)carbothioyl)-3-(1-pyrrolidinyl)acrylate","","CCOC(=O)C(=C(N)N1CCCC1)C(=S)NCC2=CC=CC=C2","LBLHWLFGEADICU-PFONDFGASA-N","3005137",NA,"PDBC35951","675883","Present"
-"Ethyl 3-amino-2-((methylamino)carbothioyl)-3-(1-pyrrolidinyl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-amino-2-((methylamino)carbothioyl)-3-(1-pyrrolidinyl)acrylate","","CCOC(=O)C(=C(N)N1CCCC1)C(=S)NC","UGSHKGAQXWRNRE-HJWRWDBZSA-N","3005131",NA,"PDBC35952","675877","Present"
-"Ethyl 3-amino-2-(anilinocarbothioyl)-3-(1-pyrrolidinyl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-amino-2-(anilinocarbothioyl)-3-(1-pyrrolidinyl)acrylate","","CCOC(=O)C(=C(N)N1CCCC1)C(=S)NC2=CC=CC=C2","XCDGPQIDIMTWLQ-YPKPFQOOSA-N","3005134",NA,"PDBC35953","675880","Present"
-"Ethyl 3-amino-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-7-nitroquinoxalin-2-yl]-3-oxopropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-amino-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-7-nitroquinoxalin-2-yl]-3-oxopropanoate","","CCOC(=O)C(C1=NC2=C(C=CC(=C2)[N+](=O)[O-])N=C1C=C(C3=CC=C(C=C3)C)O)C(=O)N","VPDZLIMLTUYFES-WQRHYEAKSA-N","135426689",NA,"PDBC35954","707075","Present"
-"Ethyl 3-amino-2-bromo-2-(4-bromo-2-hydroxy-3-oxo-5-phenylfuran-2-yl)-3-oxopropanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-amino-2-bromo-2-(4-bromo-2-hydroxy-3-oxo-5-phenylfuran-2-yl)-3-oxopropanoate","","CCOC(=O)C(C(=O)N)(C1(C(=O)C(=C(O1)C2=CC=CC=C2)Br)O)Br","HNUYMPXXEANFOK-UHFFFAOYSA-N","404238",NA,"PDBC35955","720416","Present"
-"Ethyl 3-amino-5-[4-(3-amino-2,4-dicyano-5-ethoxycarbonyl-phenyl)phenyl]-2,4-dicyano-benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-amino-5-[4-(3-amino-2,4-dicyano-5-ethoxycarbonyl-phenyl)phenyl]-2,4-dicyano-benzoate","","CCOC(=O)C1=C(C(=C(C(=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3C#N)N)C#N)C(=O)OCC)C#N)N)C#N","QZPHLOKQPRYHLM-UHFFFAOYSA-N","371284",NA,"PDBC35956","645361","Present"
-"Ethyl 3-amino-7,8-dimethoxy-4-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-amino-7,8-dimethoxy-4-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate","","CCOC(=O)C1CC2=C(C=CC(=C2OC)OC)C(=O)C1N","XKOJBHVOGRJDHA-UHFFFAOYSA-N","362994",NA,"PDBC35957","627522","Present"
-"Ethyl 3-anilino-2-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-thioxo-propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-anilino-2-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-thioxo-propanoate","","CCOC(=O)C(C1=NN2C(=O)C=C(N=C2S1)C)C(=S)NC3=CC=CC=C3","GVVIGULNRXKJEI-UHFFFAOYSA-N","3005143",NA,"PDBC35958","677202","Present"
-"Ethyl 3-anilino-3-oxopropanimidate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC634927","","CCOC(=N)CC(=O)NC1=CC=CC=C1.Cl","AFRRCMITXJASRM-UHFFFAOYSA-N","366467",NA,"PDBC35959","634927","Present"
-"Ethyl 3-benzoyl-1,2,3,12b-tetrahydropyrrolo[1,2-f]phenanthridine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-benzoyl-1,2,3,12b-tetrahydropyrrolo[1,2-f]phenanthridine-1-carboxylate","","CCOC(=O)C1CC(N2C1C3=CC=CC=C3C4=CC=CC=C42)C(=O)C5=CC=CC=C5","NXSWTBYDIRFJIF-UHFFFAOYSA-N","386068",NA,"PDBC35960","677636","Present"
-"Ethyl 3-benzyl-2-methyl-4,5-dioxobenzo[e]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","3-benzyl-2-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indol...","","CCOC(=O)C1=C(N(C2=C1C3=CC=CC=C3C(=O)C2=O)CC4=CC=CC=C4)C","FPJGLEYOEDMWDB-UHFFFAOYSA-N","406008",NA,"PDBC35961","723888","Present"
-"Ethyl 3-bromo-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-bromo-1,5,2,4-dioxadithiepane-3-carboxylate 2,2,4,4-tetraoxide","","CCOC(=O)C1(S(=O)(=O)OCCOS1(=O)=O)Br","SAMNWECPRPOIAL-UHFFFAOYSA-N","375071",NA,"PDBC35962","653955","Present"
-"Ethyl 3-cyanoamino-2-(1H-benzimidazol-2-yl)acrylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-cyanoamino-2-(1H-benzimidazol-2-yl)acrylate","","CCOC(=O)C(=CNC#N)C1=NC2=CC=CC=C2N1","PFIIRGZGEJAIDE-CLFYSBASSA-N","5471367",NA,"PDBC35963","710862","Present"
-"Ethyl 3-fluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-fluoro-1,5,2,4-dioxadithiepane-3-carboxylate 2,2,4,4-tetraoxide","","CCOC(=O)C1(S(=O)(=O)OCCOS1(=O)=O)F","DPRQRRMVIXDSED-UHFFFAOYSA-N","380421",NA,"PDBC35964","665944","Present"
-"Ethyl 3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate","","","","","","","","","","","","","","","","","","","","OAVIWILLWRZQGV-UHFFFAOYSA-N","","CCOC(=O)C1=C(C2=CC=CC=C2C(=O)C1=O)O","IVCYJYFCSFUVOU-UHFFFAOYSA-N","54686206",NA,"PDBC35965","651205","Present"
-"Ethyl 3-hydroxy-11-oxohexadecanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-hydroxy-11-oxohexadecanoate","","CCCCCC(=O)CCCCCCCC(CC(=O)OCC)O","SXPFJPAOWKDANT-UHFFFAOYSA-N","386092",NA,"PDBC35966","677683","Present"
-"Ethyl 3-hydroxy-2,2,4-trimethylpentanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-hydroxy-2,2,4-trimethylpentanoate","","CCOC(=O)C(C)(C)C(C(C)C)O","XCXVWELTULZAKL-UHFFFAOYSA-N","244177",NA,"PDBC35967","54809","Present"
-"Ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)propanoate","","CCOC(=O)C(CO)C1=NC2=C(C(=O)N(C(=O)N2C)C)NC1=O","FVUORAMBNOOBRH-UHFFFAOYSA-N","264162",NA,"PDBC35968","99087","Present"
-"Ethyl 3-hydroxy-3-methyl-5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-hydroxy-3-methyl-5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate","","CCOC(=O)C1C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])(C)O","KBDXTNCJOUVONL-UHFFFAOYSA-N","361616",NA,"PDBC35969","624801","Present"
-"Ethyl 3-hydroxy-5,8-dimethoxy-1,4-dioxo-naphthalene-2-carboxylate","","","","","","","","","","","","","","","","","","","","3-[Ethoxy(hydroxy)methylidene]-5,8-dimethoxynaphthalene-1,2,4(3H)-trione","","CCOC(=O)C1=C(C2=C(C=CC(=C2C(=O)C1=O)OC)OC)O","GGZBSKZHBJBKRS-UHFFFAOYSA-N","54686208",NA,"PDBC35970","651208","Present"
-"Ethyl 3-hydroxy-6-methoxy-1,4-dioxo-naphthalene-2-carboxylate","","","","","","","","","","","","","","","","","","","","3-[Ethoxy(hydroxy)methylidene]-7-methoxynaphthalene-1,2,4(3H)-trione","","CCOC(=O)C1=C(C2=C(C=C(C=C2)OC)C(=O)C1=O)O","OIJWMJXOFPQWJA-UHFFFAOYSA-N","54682843",NA,"PDBC35971","651206","Present"
-"Ethyl 3-hydroxy-6-methyl-1,4-dioxo-naphthalene-2-carboxylate","","","","","","","","","","","","","","","","","","","","3-[Ethoxy(hydroxy)methylidene]-7-methylnaphthalene-1,2,4(3H)-trione","","CCOC(=O)C1=C(C2=C(C=C(C=C2)C)C(=O)C1=O)O","MMOHIJSQWLLXKU-UHFFFAOYSA-N","54686207",NA,"PDBC35972","651207","Present"
-"Ethyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate","","CCOC(=O)C1=C2NC3=CC=CC=C3N2C(=O)C=C1C","AMJUULQMLIEISB-UHFFFAOYSA-N","387844",NA,"PDBC35973","682004","Present"
-"Ethyl 3-methyl-2-[(5-nitro-1H-imidazole-4-carbonyl)amino]butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-methyl-2-[(5-nitro-1H-imidazole-4-carbonyl)amino]butanoate","","CCOC(=O)C(C(C)C)NC(=O)C1=C(NC=N1)[N+](=O)[O-]","WBBTYUYBRSPDFF-UHFFFAOYSA-N","135408973",NA,"PDBC35974","651360","Present"
-"Ethyl 3-methyl-2H-1,4-benzothiazine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-methyl-2H-1,4-benzothiazine-2-carboxylate","","CCOC(=O)C1C(=NC2=CC=CC=C2S1)C","VHZZXIZQFBTJEA-UHFFFAOYSA-N","365857",NA,"PDBC35975","633931","Present"
-"Ethyl 3-methyl-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-methyl-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate","","CCOC(=O)C1=C2N=NN(C(=O)N2C3=CC=CC=C31)C","ZCKOYIJGYLRNSK-UHFFFAOYSA-N","396114",NA,"PDBC35976","701662","Present"
-"Ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate","","","","","","","","","","","","","","","","","","","","PQ637VI0V3","","CCOC(=O)C1=C(NC2=CC=CC=C2S1)C","NCZIRXVLKKERGP-UHFFFAOYSA-N","360308",NA,"PDBC35977","622343","Present"
-"Ethyl 3-methyl-7-trifluoromethylquinoxaline-4-oxide 2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-methyl-7-trifluoromethylquinoxaline-4-oxide 2-ca...","","CCOC(=O)C1=C([N+](=C2C=CC(=CC2=N1)C(F)(F)F)[O-])C","VJIDTBSNWTWLOF-UHFFFAOYSA-N","54612696",NA,"PDBC35978","740115","Present"
-"Ethyl 3-oxo-2,4,4-triphenyl-1,2-diazetidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-oxo-2,4,4-triphenyl-1,2-diazetidine-1-carboxylate","","CCOC(=O)N1C(C(=O)N1C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","YNPFVKILUXYFTF-UHFFFAOYSA-N","386846",NA,"PDBC35979","679580","Present"
-"Ethyl 3-oxo-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 3-oxo-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxylate","","CCOC(=O)C1CC(=O)C=C2C1CCCC2","LCKRWMLVLALMMD-UHFFFAOYSA-N","359289",NA,"PDBC35980","620033","Present"
-"Ethyl 3-oxo-3-((5-oxo-5H-thiochromeno[2,3-b]pyridin-6-yl)amino)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-oxo-3-((5-oxo-5H-thiochromeno[2,3-b]pyridin-6-yl)amino)propanoate","","CCOC(=O)CC(=O)NC1=C2C(=CC=C1)SC3=C(C2=O)C=CC=N3","LIXGSGUWVYZYCK-UHFFFAOYSA-N","383156",NA,"PDBC35981","671267","Present"
-"Ethyl 3-oxo-3-(1-phenylethylamino)propanimidate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl 3-oxo-3-(1-phenylethylamino)propanimidate;hydrochloride","","CCOC(=N)CC(=O)NC(C)C1=CC=CC=C1.Cl","JDEDSJGPUAHGEH-UHFFFAOYSA-N","359800",NA,"PDBC35982","621361","Present"
-"Ethyl 3-oxo-3-(phenylthio)propanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-oxo-3-(phenylthio)propanoate","","CCOC(=O)CC(=O)SC1=CC=CC=C1","OFMQEHDQJRUCNU-UHFFFAOYSA-N","373264",NA,"PDBC35983","649416","Present"
-"Ethyl 3-oxo-4-((6-oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 3-oxo-4-((6-oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)butanoate","","CCOC(=O)CC(=O)CSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","OYCRPDDZEVFJRR-UHFFFAOYSA-N","383056",NA,"PDBC35984","671100","Present"
-"Ethyl 3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","QN147","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O","KYQRBUPXBGYEPM-UHFFFAOYSA-N","387928",NA,"PDBC35985","682233","Present"
-"Ethyl 3-quinuclidinecarbamate","","","","","","","","","","","","","","","","","","","","LS-143098","","CCOC(=O)NC1CN2CCC1CC2","YFWYOKRKIOWLBK-UHFFFAOYSA-N","379660",NA,"PDBC35986","664539","Present"
-"Ethyl 3-trifluoromethyl-7-methoxyquinoxaline-2-carboxyla...","","","","","","","","","","","","","","","","","","","","Ethyl 3-trifluoromethyl-7-methoxyquinoxaline-2-carboxyla...","","CCOC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)OC)[O-])C(F)(F)F","NLMPBMBYQOMKEE-UHFFFAOYSA-N","54613002",NA,"PDBC35987","749072","Present"
-"Ethyl 4,4,4-trifluoro-3-((triphenylphosphoranylidene)amino)-2-butenoate","","","","","","","","","","","","","","","","","","","","Ethyl 4,4,4-trifluoro-3-((triphenylphosphoranylidene)amino)-2-butenoate","","CCOC(=O)C=C(C(F)(F)F)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","MJJHLXYIDMFAIB-RELWKKBWSA-N","6477458",NA,"PDBC35988","667648","Present"
-"Ethyl 4,4,4-trifluoro-3-hydroxy-2-(methoxyimino)butanoate","","","","","","","","","","","","","","","","","","","","3T-0051","","CCOC(=O)C(=NOC)C(C(F)(F)F)O","ROLZTCLDNHBPTL-WCIBSUBMSA-N","5912915",NA,"PDBC35989","615599","Present"
-"Ethyl 4,4,6-trimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4,4,6-trimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-carboxylate","","CCOC(=O)C1=C(CC2C(C1(C)C)C(=O)OC2=O)C","JLGPUGBYDKERLK-UHFFFAOYSA-N","363374",NA,"PDBC35990","628256","Present"
-"Ethyl 4,5-dibromo-4-methyl-2-oxo-6-phenylhexahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4,5-dibromo-4-methyl-2-oxo-6-phenylhexahydro-5-pyrimidinecarboxylate","","CCOC(=O)C1(C(NC(=O)NC1(C)Br)C2=CC=CC=C2)Br","WWJCFUTVXQGRTF-UHFFFAOYSA-N","370618",NA,"PDBC35991","643911","Present"
-"Ethyl 4,6-dihydro-5H-furo[2,3-c]pyrrole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4,6-dihydro-5H-furo[2,3-c]pyrrole-5-carboxylate","","CCOC(=O)N1CC2=C(C1)OC=C2","DEWWWQDZJOQUGR-UHFFFAOYSA-N","372542",NA,"PDBC35992","647720","Present"
-"Ethyl 4,6-dihydroxy-2-(4-morpholinyl)nicotinate","","","","","","","","","","","","","","","","","","","","Ethyl 4,6-dihydroxy-2-(4-morpholinyl)nicotinate","","CCOC(=O)C1=C(NC(=O)C=C1O)N2CCOCC2","APERKODGEABDKR-UHFFFAOYSA-N","54688713",NA,"PDBC35993","700478","Present"
-"Ethyl 4,6-dioxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4,6-dioxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(CC(=O)N=C1N2CCCC2)O","ILBRPOSMBLYXMY-UHFFFAOYSA-N","135436076",NA,"PDBC35994","675874","Present"
-"Ethyl 4,6a-dihydroxy-8-methyl-1,3-dioxo-2-phenylfuro[3,2-d]isoindole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4,6a-dihydroxy-8-methyl-1,3-dioxo-2-phenylfuro[3,2-d]isoindole-9-carboxylate","","CCOC(=O)C1=C(OC2(C13C(=C(C=C2)O)C(=O)N(C3=O)C4=CC=CC=C4)O)C","AVZFYOCGGGTTTK-UHFFFAOYSA-N","54695394",NA,"PDBC35995","722575","Present"
-"Ethyl 4,7,7-tricyano-3-imino-5-isopropyl-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4,7,7-tricyano-3-imino-5-isopropyl-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate","","CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C(C)C","ATIXZNRVXNYSEC-UHFFFAOYSA-N","387755",NA,"PDBC35996","681784","Present"
-"Ethyl 4,7-diacetyloxy-1-benzothiophene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4,7-diacetoxybenzothiophene-2-carboxylate","","CCOC(=O)C1=CC2=C(C=CC(=C2S1)OC(=O)C)OC(=O)C","UZHLIVHDPREMDM-UHFFFAOYSA-N","395505",NA,"PDBC35997","700147","Present"
-"Ethyl 4-(((2,3-dimethoxy-6-quinoxalinyl)methyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(((2,3-dimethoxy-6-quinoxalinyl)methyl)amino)benzoate","","CCOC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","IKPWCHIYGLJNMQ-UHFFFAOYSA-N","380870",NA,"PDBC35998","666613","Present"
-"Ethyl 4-(((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methyl)amino)benzoate","","CCOC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4","DPNVDWUURGMMCV-UHFFFAOYSA-N","380869",NA,"PDBC35999","666612","Present"
-"Ethyl 4-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoate","","CCOC(=O)C1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OCC","WPEQIOGQRUGNDM-UHFFFAOYSA-N","383555",NA,"PDBC36000","671973","Present"
-"Ethyl 4-((2,2,2-trifluoro-1-(propionylamino)-1-(trifluoromethyl)ethyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-((2,2,2-trifluoro-1-(propionylamino)-1-(trifluoromethyl)ethyl)amino)benzoate","","CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)C(=O)OCC","VFFRLYOSITXMEU-UHFFFAOYSA-N","383557",NA,"PDBC36001","671975","Present"
-"Ethyl 4-((2-(2-anilino-2-thioxoethylidene)-4-((4-(ethoxycarbonyl)phenyl)imino)-3-phenyl-1,3-thiazolidin-5-ylidene)amino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[(2Z)-2-(2-anilino-2-sulfanylideneethylidene)-5-(4-ethoxycarbonylphenyl)imino-3-phenyl-1,3-thiazolidin-4-ylidene]amino]benzoate","","CCOC(=O)C1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C(=O)OCC)SC(=CC(=S)NC4=CC=CC=C4)N2C5=CC=CC=C5","YDLKKRULGHPHGG-XPNZPXLISA-N","5468534",NA,"PDBC36002","671369","Present"
-"Ethyl 4-((2-ethoxy-2-oxoethyl)imino)-2-(methylthio)-6-(phenylthio)-4H-imidazo[5,1-b][1,3,5]thiadiazine-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(2-ethoxy-2-oxoethyl)imino-2-methylsulfanyl-6-phenylsulfanylimidazo[5,1-b][1,3,5]thiadiazine-8-carboxylate","","CCOC(=O)CN=C1N=C(SC2=C(N=C(N21)SC3=CC=CC=C3)C(=O)OCC)SC","WTMAVTGBKXBWRC-UHFFFAOYSA-N","372505",NA,"PDBC36003","647621","Present"
-"Ethyl 4-((3-(4-(ethoxycarbonyl)anilino)-2H-1,4-benzothiazin-2-ylidene)amino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-((3-(4-(ethoxycarbonyl)anilino)-2H-1,4-benzothiazin-2-ylidene)amino)benzoate","","CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3SC2=NC4=CC=C(C=C4)C(=O)OCC","PDRBKBDXNLQMAH-UHFFFAOYSA-N","383310",NA,"PDBC36004","671423","Present"
-"Ethyl 4-((3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-((3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoate","","CCOC(=O)C1=CC=C(C=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","DQXAKFBNVXDXPY-UHFFFAOYSA-N","387369",NA,"PDBC36005","681121","Present"
-"Ethyl 4-((4-((2-cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-((4-((2-cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoate","","CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3)C","KTCVSODVBJGAAV-UHFFFAOYSA-N","369350",NA,"PDBC36006","641105","Present"
-"Ethyl 4-((4-(bis(2-cyanoethyl)amino)-2-methylphenyl)diazenyl)benzoate","","","","","","","","","","","","","","","","","","","","4-Carboxyethyl-(2'-methyl-4'-N,N-bis-2'cyanoethylamino) ...","","CCOC(=O)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N(CCC#N)CCC#N)C","DXZDIMFXDBISEA-UHFFFAOYSA-N","365296",NA,"PDBC36007","632847","Present"
-"Ethyl 4-((5-((4-(ethoxycarbonyl)phenyl)imino)-3-(4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-ylidene)amino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[5-(4-ethoxycarbonylphenyl)imino-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-ylidene]amino]benzoate","","CCOC(=O)C1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C(=O)OCC)SC(=S)N2C4=CC=C(C=C4)F","JTPHXCIGGJOXSF-UHFFFAOYSA-N","383238",NA,"PDBC36008","671353","Present"
-"Ethyl 4-((6-(dimethylamino)-6-oxohexanoyl)amino)butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-((6-(dimethylamino)-6-oxohexanoyl)amino)butanoate","","CCOC(=O)CCCNC(=O)CCCCC(=O)N(C)C","UXXNAICCSJDVQD-UHFFFAOYSA-N","391823",NA,"PDBC36009","691410","Present"
-"Ethyl 4-((6-(trifluoromethyl)-2-quinoxalinyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-((6-(trifluoromethyl)-2-quinoxalinyl)amino)benzoate","","CCOC(=O)C1=CC=C(C=C1)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","UXEBFVZZSYFVAM-UHFFFAOYSA-N","384946",NA,"PDBC36010","675770","Present"
-"Ethyl 4-((7-((4-ethoxy-4-oxobutyl)thio)-4-oxoheptyl)thio)butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-((7-((4-ethoxy-4-oxobutyl)thio)-4-oxoheptyl)thio)butanoate","","CCOC(=O)CCCSCCCC(=O)CCCSCCCC(=O)OCC","JIOZZKYOOFYLRW-UHFFFAOYSA-N","373747",NA,"PDBC36011","650646","Present"
-"Ethyl 4-(1,2,3,4-tetrahydroacridin-9-ylamino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1,2,3,4-tetrahydroacridin-9-ylamino)benzoate","","CCOC(=O)C1=CC=C(C=C1)NC2=C3CCCCC3=NC4=CC=CC=C42","ZBDFMRBYPGWSBX-UHFFFAOYSA-N","394840",NA,"PDBC36012","698692","Present"
-"Ethyl 4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[(1,3,4-thiadiazol-2-ylamino)carbonyl]a...","","CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NN=CS2","HQRBNMAPONQOJI-UHFFFAOYSA-N","323649",NA,"PDBC36013","285689","Present"
-"Ethyl 4-(1,3-benzodioxol-5-yl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1,3-benzodioxol-5-yl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","","CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC4=C(C=C3)OCO4","NEXJFTCNOGSRRT-UHFFFAOYSA-N","392850",NA,"PDBC36014","693862","Present"
-"Ethyl 4-(1,3-benzodioxol-5-yl)-6-ethoxy-3,6-dihydroxy-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1,3-benzodioxol-5-yl)-6-ethoxy-3,6-dihydroxy-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","","CCOC(=O)C1C(C2=C(CC1(O)OCC)NNC2=O)C3=CC4=C(C=C3)OCO4","LHKQHVPPVCIWIZ-UHFFFAOYSA-N","392851",NA,"PDBC36015","693863","Present"
-"Ethyl 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carboxylate","","CCOC(=O)C1=C(N=C2C3=CC=CC=C3C(=O)C2=C1C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C","NESPCIIZNOJNMP-UHFFFAOYSA-N","391366",NA,"PDBC36016","690397","Present"
-"Ethyl 4-(1,3-thiazol-2-ylcarbamoylamino)benzoate","","","","","","","","","","","","","","","","","","","","benzoic acid, 4-[[(2-thiazolylamino)carbonyl]amino]-, et...","","CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC=CS2","OMEMETVMVIWGLI-UHFFFAOYSA-N","307683",NA,"PDBC36017","205795","Present"
-"Ethyl 4-(1-(2-methylbutyl)-2-thioxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate","","CCC(C)CN1CCC(C1=S)C2=C(NC(=C2)C(=O)OCC)C3=CC(=NO3)C","LOBREDKSHZCROZ-UHFFFAOYSA-N","393082",NA,"PDBC36018","694467","Present"
-"Ethyl 4-(1-acetylpyrrol-3-yl)-5-(4-methyl-2-furyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1-acetylpyrrol-3-yl)-5-(4-methyl-2-furyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)C2=CC(=CO2)C)C3=CN(C=C3)C(=O)C","TUPBVOVSECODQX-UHFFFAOYSA-N","393280",NA,"PDBC36019","694946","Present"
-"Ethyl 4-(1-allyl-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1-allyl-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3CCN(C3=O)CC=C","LCPLACSTDUORKO-UHFFFAOYSA-N","393081",NA,"PDBC36020","694466","Present"
-"Ethyl 4-(1-allyl-3-hydroxypyrrolidin-3-yl)-5-(3-methylisoxazol-5-yl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1-allyl-3-hydroxypyrrolidin-3-yl)-5-(3-methylis...","","CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3(CCN(C3)CC=C)O","ZTNCVERONIXYMS-UHFFFAOYSA-N","392538",NA,"PDBC36021","693054","Present"
-"Ethyl 4-(1-benzyl-2-oxo-pyrrolidin-3-yl)-5-(2-diazo-3-oxo-butanoyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1-benzyl-2-oxo-pyrrolidin-3-yl)-5-(2-diazo-3-oxo-butanoyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)C(=O)C(=[N+]=[N-])C(=O)C)C2CCN(C2=O)CC3=CC=CC=C3","FFBUUOTWASPBER-UHFFFAOYSA-N","393089",NA,"PDBC36022","694474","Present"
-"Ethyl 4-(1-benzyl-2-sulfanylidenepyrrolidin-3-yl)-5-(2-diazoacetyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","1-[3-(1-Benzyl-2-thioxo-pyrrolidin-3-yl)-5-ethoxycarbonyl-1h-pyrrol-2-yl]-2-diazonio-ethenolate","","CCOC(=O)C1=CC(=C(N1)C(=O)C=[N+]=[N-])C2CCN(C2=S)CC3=CC=CC=C3","RBAZKGNYSIOSAW-UHFFFAOYSA-N","392923",NA,"PDBC36023","694107","Present"
-"Ethyl 4-(1-benzyl-3-hydroxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1-benzyl-3-hydroxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3(CCN(C3=O)CC4=CC=CC=C4)O","KXEUCMAZHVDAMC-UHFFFAOYSA-N","393278",NA,"PDBC36024","694944","Present"
-"Ethyl 4-(1-benzyl-3-methoxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1-benzyl-3-methoxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3(CCN(C3=O)CC4=CC=CC=C4)OC","OCZQAQBAHKBUQZ-UHFFFAOYSA-N","392919",NA,"PDBC36025","694103","Present"
-"Ethyl 4-(1H-1,2,3-benzotriazol-1-yl)-1-methyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(1H-1,2,3-benzotriazol-1-yl)-1-methyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=CN1C)N2C3=CC=CC=C3N=N2","TUKRIFBJWPGQEG-UHFFFAOYSA-N","378967",NA,"PDBC36026","662559","Present"
-"Ethyl 4-(2-(2-methoxyphenyl)-6-oxo-4-(2-thienyl)-1,4-cyclohexadien-1-yl)-2,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[2-(2-methoxyphenyl)-6-oxo-4-thiophen-2-ylcyclohexa-1,4-dien-1-yl]-2,4-dioxobutanoate","","CCOC(=O)C(=O)CC(=O)C1=C(CC(=CC1=O)C2=CC=CS2)C3=CC=CC=C3OC","YQEZFCQDIHTKMT-UHFFFAOYSA-N","392309",NA,"PDBC36027","692585","Present"
-"Ethyl 4-(2-(ethylthio)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)benzoate","","","","","","","","","","","","","","","","","","","","4-(2-ethylthio-5,6-dimethyl-4-oxo-3,4-dihydro-thieno/2,3...","","CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC)SC(=C3C)C","KXOYSMWLMKXHSQ-UHFFFAOYSA-N","374234",NA,"PDBC36028","651729","Present"
-"Ethyl 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(2-amino-3-cyano-4-phenyl-pyrrol-1-yl)-3-(4-chlorophenyl)-2-thioxo-thiazole-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)Cl)N3C=C(C(=C3N)C#N)C4=CC=CC=C4","HFAZFBLYMSUHNK-UHFFFAOYSA-N","398263",NA,"PDBC36029","707977","Present"
-"Ethyl 4-(2-aminopropanoyl-methyl-amino)azobenzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(2-aminopropanoyl-methyl-amino)azobenzoate","","CCOC(=O)C1=CC=C(C=C1)N=NN(C)C(=O)C(C)N","RAYHVYBBWUAVSG-UHFFFAOYSA-N","394860",NA,"PDBC36030","698948","Present"
-"Ethyl 4-(3,4-dimethoxy-5-nitro-phenyl)-1-methyl-5-nitro-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(3,4-dimethoxy-5-nitrophenyl)-1-methyl-5-nitro-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1C)[N+](=O)[O-])C2=CC(=C(C(=C2)OC)OC)[N+](=O)[O-]","CFXQCBMINKCWRC-UHFFFAOYSA-N","378978",NA,"PDBC36031","662570","Present"
-"Ethyl 4-(3,4-dimethoxyanilino)-5-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(3,4-dimethoxyanilino)-5-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)CC(=O)NC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)OC)OC)SC)C(=O)OCC","RARREQRFWZJNJV-UHFFFAOYSA-N","399948",NA,"PDBC36032","711100","Present"
-"Ethyl 4-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=CN1C)C2=CC(=C(C=C2)OC)OC","YIZQWBHGZYECIA-UHFFFAOYSA-N","378966",NA,"PDBC36033","662558","Present"
-"Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=CN1)C2=CC(=C(C=C2)OC)OC","BXMIPSHBHFUGJK-UHFFFAOYSA-N","378968",NA,"PDBC36034","662560","Present"
-"Ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate","","CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NCCS2","MHLLHTZJLCRFCU-UHFFFAOYSA-N","324933",NA,"PDBC36035","291927","Present"
-"Ethyl 4-(4-allyloxy-3-methoxy-phenyl)-6-ethoxy-3,6-dihydroxy-2,4,5,7-tetrahydroindazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-ethoxy-6-hydroxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate","","CCOC(=O)C1C(C2=C(CC1(O)OCC)NNC2=O)C3=CC(=C(C=C3)OCC=C)OC","SNBPENMFILLKFM-UHFFFAOYSA-N","392849",NA,"PDBC36036","693861","Present"
-"Ethyl 4-(4-amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylate","","CCOC(=O)N1CCN(CC1)C2=C(N=C(NC2=O)C)N","SDFVBOCWPLVRMD-UHFFFAOYSA-N","135454743",NA,"PDBC36037","673112","Present"
-"Ethyl 4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-2-diazo-3-oxobutanoate;bromide","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-2-diazo-3-oxobutanoate;bromide","","CCOC(=O)C(=[N+]=[N-])C(=O)C[N+]12CCN(CC1)CC2.[Br-]","VROJCRAYYLBQAX-UHFFFAOYSA-M","394442",NA,"PDBC36038","697918","Present"
-"Ethyl 4-(4-chloroanilino)-7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-chloroanilino)-7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(=C(C=C2)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC=CC=C5)O)C6=CC=C(C=C6)Cl)C","SGGUHZKCVSVMLP-UHFFFAOYSA-N","404595",NA,"PDBC36039","720987","Present"
-"Ethyl 4-(4-chlorophenyl)-1-methyl-5-nitro-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-chlorophenyl)-1-methyl-5-nitro-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1C)[N+](=O)[O-])C2=CC=C(C=C2)Cl","QVGUWKMDAAAPFF-UHFFFAOYSA-N","378979",NA,"PDBC36040","662571","Present"
-"Ethyl 4-(4-chlorophenyl)-5-cyano-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-chlorophenyl)-5-cyano-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate","","CCOC=NC1=C(C(C2=C(O1)N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C#N","KYNYNSOJBPKYSS-FDAWAROLSA-N","9571628",NA,"PDBC36041","691416","Present"
-"Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","XPNWJRUOPHZWHJ-UHFFFAOYSA-N","381202",NA,"PDBC36042","667533","Present"
-"Ethyl 4-(4-chlorophenyl)-5-cyano-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-chlorophenyl)-5-cyano-2-phenyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","PUDDNCIEVAXGDV-UHFFFAOYSA-N","381278",NA,"PDBC36043","667714","Present"
-"Ethyl 4-(4-chlorophenyl)-5-cyano-2-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-chlorophenyl)-5-cyano-2-phenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxylate","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","JQODQEJNUFACEM-UHFFFAOYSA-N","381280",NA,"PDBC36044","667716","Present"
-"Ethyl 4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylate","","CCOC(=O)N1CCN(CC1)C2=C(N=C(NC2=O)C)C","YBHRBZROUHKOKW-UHFFFAOYSA-N","135406801",NA,"PDBC36045","673101","Present"
-"Ethyl 4-(4-methoxyphenyl)-1-methyl-5-nitro-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-methoxyphenyl)-1-methyl-5-nitro-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1C)[N+](=O)[O-])C2=CC=C(C=C2)OC","TWJCFLSTYOAFCZ-UHFFFAOYSA-N","378977",NA,"PDBC36046","662569","Present"
-"Ethyl 4-(4-methoxyphenyl)-5-nitro-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-methoxyphenyl)-5-nitro-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)[N+](=O)[O-])C2=CC=C(C=C2)OC","APWHLKGYXAFNQM-UHFFFAOYSA-N","378980",NA,"PDBC36047","662572","Present"
-"Ethyl 4-(4-morpholin-4-ylbut-2-ynylamino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-morpholinobut-2-ynylamino)benzoate","","CCOC(=O)C1=CC=C(C=C1)NCC#CCN2CCOCC2","ZNJHLZIMABWXOD-UHFFFAOYSA-N","399010",NA,"PDBC36048","709431","Present"
-"Ethyl 4-(4-piperidin-1-ylbut-2-ynylamino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[4-(1-piperidyl)but-2-ynylamino]benzoate","","CCOC(=O)C1=CC=C(C=C1)NCC#CCN2CCCCC2","NTFLMRBMTVSCSV-UHFFFAOYSA-N","399009",NA,"PDBC36049","709430","Present"
-"Ethyl 4-(5,7-dimethyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(5,7-dimethyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate","","CCOC(=O)N1CCN(CC1)C2=NC3=C(C=C2)C(=CC(=N3)C)C","AUQSTCJTZDZRNR-UHFFFAOYSA-N","390344",NA,"PDBC36050","687680","Present"
-"Ethyl 4-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(5,7-dimethyl-4-oxochromen-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(NC(=O)NC1C2=COC3=CC(=CC(=C3C2=O)C)C)C","IJIJGOPEHCMIKT-UHFFFAOYSA-N","332937",NA,"PDBC36051","332471","Present"
-"Ethyl 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate","","CCOC(=O)N1CCN(CC1)C2=C(C(=S)N(C(=N2)C)C3=CC=CC=C3)C#N","WNIKPTSOQOWMPU-UHFFFAOYSA-N","388267",NA,"PDBC36052","682881","Present"
-"Ethyl 4-(7-amino-1,8-naphthyridin-2-yl)piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(7-amino-1,8-naphthyridin-2-yl)piperazine-1-carboxylate","","CCOC(=O)N1CCN(CC1)C2=NC3=C(C=CC(=N3)N)C=C2","HOFXNELWUHMRKV-UHFFFAOYSA-N","390345",NA,"PDBC36053","687681","Present"
-"Ethyl 4-(acetyloxy)-6-benzyl-3,6-dihydropyrrolo[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(acetyloxy)-6-benzyl-3,6-dihydropyrrolo[3,2-e]indole-2-carboxylate","","CCOC(=O)C1=CC2=C3C=CN(C3=CC(=C2N1)OC(=O)C)CC4=CC=CC=C4","GBJRZVNBEUMTPL-UHFFFAOYSA-N","393084",NA,"PDBC36054","694469","Present"
-"Ethyl 4-(aziridin-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(aziridin-1-yl)-2-[(3,4-dichlorobenzyl)sulfanyl]pyrimidine-5-carboxylate","","CCOC(=O)C1=CN=C(N=C1N2CC2)SCC3=CC(=C(C=C3)Cl)Cl","ROHYAWFAFFDKEH-UHFFFAOYSA-N","246322",NA,"PDBC36055","59244","Present"
-"Ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoate","","CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4","DQQYAUGXYKNVPF-UHFFFAOYSA-N","400207",NA,"PDBC36056","711725","Present"
-"Ethyl 4-Diethylamino-5-phenyl-1H-pyrazole-3-carboxylat","","","","","","","","","","","","","","","","","","","","Ethyl 4-Diethylamino-5-phenyl-1H-pyrazole-3-carboxylat","","CCN(CC)C1=C(NN=C1C2=CC=CC=C2)C(=O)OC","AFMXRIDUEKOCHI-UHFFFAOYSA-N","406395",NA,"PDBC36057","724459","Present"
-"Ethyl 4-[(1,3-dihydro-1H-2-isoindolyl)methyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","ethyl 4-[(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)methyl]-...","","CCOC(=O)C1=C(NC(=O)NC1CN2C(=O)C3=CC=CC=C3C2=O)C","UEIMAGGPUNNMSZ-UHFFFAOYSA-N","45028356",NA,"PDBC36058","742297","Present"
-"Ethyl 4-[(1Z,4Z,9Z,15Z)-10,15,20-tris(4-ethoxysulfonylphenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[10,15,20-tris(4-ethoxysulfonylphenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate","","CCOS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)OCC)C8=CC=C(C=C8)S(=O)(=O)OCC)C=C4)C9=CC=C(C=C9)S(=O)(=O)OCC)N3","LCIXMELAVITKRN-UHFFFAOYSA-N","135489822",NA,"PDBC36059","681459","Present"
-"Ethyl 4-[(2,6-dihydroxypyrimidin-4-yl)methylsulfanyl]-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCC4=CC(=O)NC(=O)N4","MGCLFNHMMTWBRI-UHFFFAOYSA-N","391230",NA,"PDBC36060","690127","Present"
-"Ethyl 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","STL504136","","CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC(OC(C2)C)C","KVXPPXDWVITJJU-UHFFFAOYSA-N","327470",NA,"PDBC36061","302635","Present"
-"Ethyl 4-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]pyridine-3-carboxylate","","CCOC(=O)C1=C(C=CN=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N","OLPGJVHTFSXMJW-UHFFFAOYSA-N","388283",NA,"PDBC36062","682923","Present"
-"Ethyl 4-[(4-chloro-3-oxobutyl)(formyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[(4-chloro-3-oxobutyl)(formyl)amino]benzoate","","CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CCl)C=O","YTIHVRBBTKXDRM-UHFFFAOYSA-N","254720",NA,"PDBC36063","79250","Present"
-"Ethyl 4-[(4-chlorophenyl)amino]quinazoline-2-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 4-(4-chloroanilino)-2-quinazolinecarboxylate","","CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)Cl","SYDVUJBKMSUPLY-UHFFFAOYSA-N","731975",NA,"PDBC36064","730029","Present"
-"Ethyl 4-[(4-methyl-2-oxochromen-7-yl)oxycarbonylamino]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[(4-methyl-2-oxochromen-7-yl)oxycarbonylamino]benzoate","","CCOC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C","SLEWPYRGRKTWPF-UHFFFAOYSA-N","310744",NA,"PDBC36065","215669","Present"
-"Ethyl 4-[(4Z)-4-(methoxymethylene)-1,3-dioxo-2-isoquinolyl]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[(4Z)-4-(methoxymethylene)-1,3-dioxo-2-isoquinolyl]benzoate","","CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=COC)C2=O","VYGSERHEQLZFSX-ATVHPVEESA-N","3004090",NA,"PDBC36066","627268","Present"
-"Ethyl 4-[(4Z)-4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-2-(2-chloro-5-nitro-phenyl)-5-oxo-imidazol-1-yl]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[(4Z)-4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylidene]-2-(2-chloro-5-nitrophenyl)-5-oxoimidazol-1-yl]benzoate","","CCOC(=O)C1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","KEOFXYHXSTUXDQ-USHMODERSA-N","5920471",NA,"PDBC36067","642575","Present"
-"Ethyl 4-[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate","","CCOC(=O)N1CCN(CC1)CC2=CC(=O)N3C=C(C=CC3=N2)C","ARTOYGMMBKMGHU-UHFFFAOYSA-N","390349",NA,"PDBC36068","687685","Present"
-"Ethyl 4-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate","","CCOC(=O)N1CCN(CC1)CC2=CC(=O)N3C=CC(=CC3=N2)C","JZZBHQLCWMLBIN-UHFFFAOYSA-N","390350",NA,"PDBC36069","687686","Present"
-"Ethyl 4-[(E)-(ethoxycarbonylhydrazono)methyl]-5-methyl-1-oxo-5H-thiadiazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[(E)-(ethoxycarbonylhydrazono)methyl]-5-methyl-1-oxo-5H-thiadiazole-2-carboxylate","","CCOC(=O)NN=CC1=NN(S(=O)C1C)C(=O)OCC","PPPFFCDWJZPICM-IZZDOVSWSA-N","9571620",NA,"PDBC36070","690789","Present"
-"Ethyl 4-[1-(benzenesulfonyl)-4-methyl-pyrrol-3-yl]-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[1-(benzenesulfonyl)-4-methyl-pyrrol-3-yl]-1H-pyrrole-3-carboxylate","","CCOC(=O)C1=CNC=C1C2=CN(C=C2C)S(=O)(=O)C3=CC=CC=C3","FNXSUGWPFCEMBK-UHFFFAOYSA-N","386823",NA,"PDBC36071","679531","Present"
-"Ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate","","CCOC(=O)N1C=CC(=C2C(=C3C=CN(C=C3)C(=O)OCC)C(=C4C=CN(C=C4)C(=O)OCC)C2=C5C=CN(C=C5)C(=O)OCC)C=C1","RRFZNTZTIXTQNT-UHFFFAOYSA-N","336310",NA,"PDBC36072","350013","Present"
-"Ethyl 4-[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate","","CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C(F)(F)F)NC3=C(C=CC(=C3)Cl)C","OARRZLOEDHJRKZ-UHFFFAOYSA-N","44456786",NA,"PDBC36073","740180","Present"
-"Ethyl 4-[2-(diethylamino)ethylsulfanyl]-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(2-diethylaminoethylsulfanyl)-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate","","CCN(CC)CCSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC","JSUPZBWMSLCKBV-UHFFFAOYSA-N","396732",NA,"PDBC36074","703442","Present"
-"Ethyl 4-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,3-d]pyrimidin-3-yl]butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,7-dihydro-3...","","CCOC(=O)CCCN1C(=O)C2=C(NC=C2C3=CC=CC=C3)N=C1SC","XULUWPMSWGDKEI-UHFFFAOYSA-N","24205306",NA,"PDBC36075","734981","Present"
-"Ethyl 4-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate","","","","","","","","","","","","","","","","","","","","ethyl 4-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3...","","CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","MEXSBRQKOGSBNE-UHFFFAOYSA-N","1194875",NA,"PDBC36076","732824","Present"
-"Ethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)pent-4-enyl]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[3-(2,6-diamino-4-oxo-1,4-dihydropyrimidin-5-yl)pent-4-en-1-yl]benzoate","","CCOC(=O)C1=CC=C(C=C1)CCC(C=C)C2=C(N=C(NC2=O)N)N","FGBZUJXPLVUXJQ-UHFFFAOYSA-N","135426807",NA,"PDBC36077","719348","Present"
-"Ethyl 4-[3-(diethylamino)propylamino]-1,7-phenanthroline-3-carboxylate","","","","","","","","","","","","","","","","","","","","4-[[3-(DIETHYLAMINO)PROPYL]AMINO]-1,7-PHENANTHROLINE-3-C...","","CCN(CC)CCCNC1=C2C=CC3=C(C2=NC=C1C(=O)OCC)C=CC=N3","ZJGAXMSUVRMDJR-UHFFFAOYSA-N","318001",NA,"PDBC36078","252021","Present"
-"Ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 4-(3-dimethylaminopropylamino)-6,8-dimethyl-quinol...","","CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NCCCN(C)C","DRDAFDJAYXZMJW-UHFFFAOYSA-N","1643524",NA,"PDBC36079","749168","Present"
-"Ethyl 4-[3-hydroxy-1-(2-methylbutyl)-2-oxopyrrolidin-3-yl]-5-(3-methylisoxazol-5-yl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[3-hydroxy-1-(2-methylbutyl)-2-oxopyrrolidin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate","","CCC(C)CN1CCC(C1=O)(C2=C(NC(=C2)C(=O)OCC)C3=CC(=NO3)C)O","CNOKFXLSLBHYKD-UHFFFAOYSA-N","393079",NA,"PDBC36080","694464","Present"
-"Ethyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(NC(=O)NC1C2=C(C=C(C=C2)N(CCCl)CCCl)Cl)C","SOXTZTWVQJRGPM-UHFFFAOYSA-N","296181",NA,"PDBC36081","166052","Present"
-"Ethyl 4-[5-(2-cyclohexylphenoxy)pentyl]piperazine-1-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","1-Piperazinecarboxylic acid, 4-[5-(o-cyclohexylphenoxy)p...","","CCOC(=O)N1CCN(CC1)CCCCCOC2=CC=CC=C2C3CCCCC3.Cl","JDARFFZSLWKJEE-UHFFFAOYSA-N","21144146",NA,"PDBC36082","22148","Present"
-"Ethyl 4-[6-(2-furyl)-2-(methylsulfanyl)-4-oxo-4,2-d]pyrimidin-3-yl]butanoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[6-(2-furyl)-2-(methylsulfanyl)-4-oxo-4,5-dihydr...","","CCOC(=O)CCCN1C(=O)C2=C(C=C(N2)C3=CC=CO3)N=C1SC","XHAVMRPHKVLXRT-UHFFFAOYSA-N","24205307",NA,"PDBC36083","734982","Present"
-"Ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate","","CCOC(=O)N1CCC(CC1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","DUMFAXPMUDPKMH-NBXKPWTLSA-N","375037",NA,"PDBC36084","653863","Present"
-"Ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate;hydrochloride","","CCOC(=O)N1CCC(CC1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC.Cl","NIFAUZLHLDJVMD-JMJLHCGTSA-N","375038",NA,"PDBC36085","653864","Present"
-"Ethyl 4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-2-hydroxybenzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-2-hydroxybenzoate","","CCOC(=O)C1=C(C=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)O","OMOBADFSMNZPBD-HPMOTZJNSA-N","363639",NA,"PDBC36086","628668","Present"
-"Ethyl 4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3...","","CCOC(=O)C1=CC=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","ZNWQWFQNGLVVJN-WXIMRCAWSA-N","363634",NA,"PDBC36087","628663","Present"
-"Ethyl 4-[[(5S,8aR)-9-(5-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[(5S,8aR)-9-(5-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate","","CCOC(=O)C1=CC=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=O)C(=O)C(=C6)OC","ZCHXQEVPGKFYQP-LYJLOTJCSA-N","369956",NA,"PDBC36088","642323","Present"
-"Ethyl 4-[[(E)-1-chloropropylideneamino]oxycarbonylamino]benzoate","","","","","","","","","","","","","","","","","","","","NSC672044","","CCC(=NOC(=O)NC1=CC=C(C=C1)C(=O)OCC)Cl","RRKPDTLSYBKQCA-LFIBNONCSA-N","5494345",NA,"PDBC36089","672044","Present"
-"Ethyl 4-[[(Z)-1-(1-adamantyl)-3-(4-ethoxycarbonylphenyl)iminoprop-1-enyl]amino]benzoate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[(Z)-1-(1-adamantyl)-3-(4-ethoxycarbonylphenyl)iminoprop-1-enyl]amino]benzoate;hydrochloride","","CCOC(=O)C1=CC=C(C=C1)NC(=CC=NC2=CC=C(C=C2)C(=O)OCC)C34CC5CC(C3)CC(C5)C4.Cl","CEWPUUYNXCSHSP-RIMWMRFGSA-N","5471289",NA,"PDBC36090","710281","Present"
-"Ethyl 4-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-(2-tert-butoxycarbonylhydrazino)-5-oxo-pentanoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate","","CCOC(=O)CCC(C(=O)NNC(=O)OC(C)(C)C)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1","VIYCSFGZWQRWTC-UHFFFAOYSA-N","381610",NA,"PDBC36091","668423","Present"
-"Ethyl 4-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-[[1-[(tert-butoxycarbonylamino)carbamoyl]-4-ethoxy-4-oxo-butyl]amino]-5-oxo-pentanoate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[[5-ethoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-4-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate","","CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NNC(=O)OC(C)(C)C)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1","PHIMBOLVZPLTLR-UHFFFAOYSA-N","381611",NA,"PDBC36092","668424","Present"
-"Ethyl 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)thiophen-2-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)-2-t...","","CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C#N","BBMXMYSEICDMIK-UHFFFAOYSA-N","304907",NA,"PDBC36093","201631","Present"
-"Ethyl 4-[[4-amino-5-(4-bromobenzoyl)-3-cyanothiophen-2-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[4-amino-5-(4-bromobenzoyl)-3-cyano-2-t...","","CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Br)N)C#N","HKWFRRXKDSRFBN-UHFFFAOYSA-N","304896",NA,"PDBC36094","201618","Present"
-"Ethyl 4-[[5-[[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[5-[[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]benzoate","","CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNCC3C(C4C(O3)OC(O4)(C)C)NC(=O)NC5=CC=C(C=C5)C(=O)OCC","SOGIRMHMEQWKQC-UHFFFAOYSA-N","45028440",NA,"PDBC36095","742854","Present"
-"Ethyl 4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoate","","CCOC(=O)C1=CC=C(C=C1)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F","JHASSYZZFXHJQQ-UHFFFAOYSA-N","389669",NA,"PDBC36096","686046","Present"
-"Ethyl 4-[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoate","","CCOC(=O)C1=CC=C(C=C1)NC2C(C(C3=CC4=C(C=C3O2)OCO4)C5=CC(=C(C(=C5)OC)OC)OC)C","HCTURDIOIWGOOY-UHFFFAOYSA-N","384850",NA,"PDBC36097","675368","Present"
-"Ethyl 4-[[butanoyl(methyl)amino]diazenyl]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[[butanoyl(methyl)amino]diazenyl]benzoate","","CCCC(=O)N(C)N=NC1=CC=C(C=C1)C(=O)OCC","UDJCHZPRKVITKX-UHFFFAOYSA-N","386270",NA,"PDBC36098","678026","Present"
-"Ethyl 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoate","","CCOC(=O)C1=C(C=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C","IIVWOVIPPFUTNX-UHFFFAOYSA-N","45027800",NA,"PDBC36099","717120","Present"
-"Ethyl 4-[bis(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[bis(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)amino]benzoate","","CCOC(=O)C1=CC=C(C=C1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)CCOS(=O)(=O)C3=CC=C(C=C3)C","LFMCXGOXPYSVNK-UHFFFAOYSA-N","256046",NA,"PDBC36100","82274","Present"
-"Ethyl 4-acetyl-7-methyl-5,8,9,10-tetrahydroindolo[4,3-fg]quinoline-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-acetyl-7-methyl-5,8,9,10-tetrahydroindolo[4,3-fg]quinoline-9-carboxylate","","CCOC(=O)C1CC2=C(C=C3CN(C4=CC=CC2=C34)C(=O)C)N(C1)C","HIFGKEIANTWACZ-UHFFFAOYSA-N","356223",NA,"PDBC36101","611377","Present"
-"Ethyl 4-amino-3-carbamoyl-[1,2,4]triazino[4,3-a]indole-10-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-amino-3-carbamoyl[1,2,4]triazino[4,3-a]indole-10-carboxylate","","CCOC(=O)C1=C2N=NC(=C(N2C3=CC=CC=C31)N)C(=O)N","LKJUJVWOSNHETF-UHFFFAOYSA-N","403964",NA,"PDBC36102","719735","Present"
-"Ethyl 4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","ChemDiv2_000211","","CCOC(=O)C1=C(C2=C(N=CN=C2S1)N)C","HWZSSWNTLPLHMF-UHFFFAOYSA-N","402994",NA,"PDBC36103","717467","Present"
-"Ethyl 4-amino-8-cyano-6-methyl-7-phenylpyrrolo[2,1-c][1,2,4]triazine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-amino-8-cyano-6-methyl-7-phenylpyrrolo[2,1-c][1,2,4]triazine-3-carboxylate","","CCOC(=O)C1=C(N2C(=C(C(=C2N=N1)C#N)C3=CC=CC=C3)C)N","MFIUNBTYFAKQCM-UHFFFAOYSA-N","403962",NA,"PDBC36104","719733","Present"
-"Ethyl 4-aminobutyrate hydrochloride","","","","","","","","","","","","","","","","","","","","ethyl .gamma.-aminobutyrate hydrochloride","","CCOC(=O)CCCN.Cl","CXVQSUBJMYZELD-UHFFFAOYSA-N","12649661",NA,"PDBC36105","40245","Present"
-"Ethyl 4-benzyl-5-oxo-2,6,6-triphenyl-4-azaspiro[2.3]hex-1-ene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-benzyl-5-oxo-2,6,6-triphenyl-4-azaspiro[2.3]hex-1-ene-1-carboxylate","","CCOC(=O)C1=C(C12C(C(=O)N2CC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","GZJNYEUKGUHGKM-UHFFFAOYSA-N","382155",NA,"PDBC36106","669602","Present"
-"Ethyl 4-bromo-5-(4-bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-bromo-5-(4-bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)C2=C(C(=NO2)C)Br)Br","BLEMAXQWYAHAIN-UHFFFAOYSA-N","393076",NA,"PDBC36107","694461","Present"
-"Ethyl 4-bromo-5-(4-bromo-3-methyl-isoxazol-5-yl)-1-methyl-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-bromo-5-(4-bromo-3-methyl-isoxazol-5-yl)-1-methyl-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1C)C2=C(C(=NO2)C)Br)Br","UUESWILOJVPSEC-UHFFFAOYSA-N","393292",NA,"PDBC36108","694957","Present"
-"Ethyl 4-bromo-5-(4-methyl-2-furyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-bromo-5-(4-methylfuran-2-yl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)C2=CC(=CO2)C)Br","UJQQRGSYLXKKCJ-UHFFFAOYSA-N","393092",NA,"PDBC36109","694476","Present"
-"Ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Benz[cd]indole-2-carboxylic acid, 4-bromo-1,3,4,5-tetrah...","","CCOC(=O)C1=C2CC(C(=O)C3=C2C(=CC=C3)N1)Br","NOTGKWNERPTYSN-UHFFFAOYSA-N","328664",NA,"PDBC36110","308005","Present"
-"Ethyl 4-carbamimidoylsulfanyl-2-(dimethylamino)pyrimidine-5-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC163798","","CCOC(=O)C1=CN=C(N=C1SC(=N)N)N(C)C.Cl","DLXMOJPFJHBOAE-UHFFFAOYSA-N","24194114",NA,"PDBC36111","163798","Present"
-"Ethyl 4-cyano-3-oxo-3,5-dihydropyrido[1,2-a]benzimidazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-cyano-3-oxo-3,5-dihydropyrido[1,2-a]benzimidazole-2-carboxylate","","CCOC(=O)C1=CN2C3=CC=CC=C3NC2=C(C1=O)C#N","JZLDKBVESWQPPU-UHFFFAOYSA-N","371121",NA,"PDBC36112","645068","Present"
-"Ethyl 4-cyano-4-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3-methyl-4-phenylbutanoate","","","","","","","","","","","","","","","","","","","","Ethyl 4-cyano-4-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3-methyl-4-phenylbutanoate","","CCOC(=O)CC(C)C(C#N)(C1=CC=CC=C1)OP2(=O)N(C(C(O2)C3=CC=CC=C3)C)C","LUMRFKALJSYCDH-UHFFFAOYSA-N","400233",NA,"PDBC36113","711751","Present"
-"Ethyl 4-cyano-5-oxo-2-thioxo-3-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-cyano-5-oxo-2-thioxo-3-pyrrolidinecarboxylate","","CCOC(=O)C1C(C(=O)NC1=S)C#N","GZKWJSCSZYCNDT-UHFFFAOYSA-N","3004057",NA,"PDBC36114","624863","Present"
-"Ethyl 4-ethyl-3-oxo-quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-ethyl-3-oxo-quinoxaline-2-carboxylate","","CCN1C2=CC=CC=C2N=C(C1=O)C(=O)OCC","OQXPZNJRVQZVNS-UHFFFAOYSA-N","387921",NA,"PDBC36115","682226","Present"
-"Ethyl 4-hydroxy-1-methyl-5-oxo-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-hydroxy-1-methyl-5-oxo-2-pyrrolidinecarboxylate","","CCOC(=O)C1CC(C(=O)N1C)O","ZHBUIPJNZSISBH-UHFFFAOYSA-N","389095",NA,"PDBC36116","684754","Present"
-"Ethyl 4-hydroxy-9-nitro-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-hydroxy-9-nitro-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-3-carboxylate","","CCOC(=O)C1C2(CCCC3=C(C=CC(=C32)O1)[N+](=O)[O-])O","AIZMJZINKYFYRF-UHFFFAOYSA-N","361610",NA,"PDBC36117","624795","Present"
-"Ethyl 4-hydroxybutanoate","","","","","","","","","","","","","","","","","","","","999E100","","CCOC(=O)CCCO","AYPJVXQBVHCUCJ-UHFFFAOYSA-N","357772",NA,"PDBC36118","617295","Present"
-"Ethyl 4-methoxy-1-methyl-3-phenyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-methoxy-1-methyl-3-phenyl-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=CN1C)OC)C2=CC=CC=C2","SBATTZGWYOMCBW-UHFFFAOYSA-N","378984",NA,"PDBC36119","662576","Present"
-"Ethyl 4-methyl-2-(phenylimino)-2,5-dihydro-1,3-thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-methyl-2-(phenylimino)-2,5-dihydro-1,3-thiazole-5-carboxylate","","CCOC(=O)C1C(=NC(=NC2=CC=CC=C2)S1)C","XNVJJISCTSFQKL-UHFFFAOYSA-N","365858",NA,"PDBC36120","633933","Present"
-"Ethyl 4-methyl-2-oxo-6-phenyl-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]-1,6-dihydropyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-methyl-2-oxo-6-phenyl-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-1,6-dihydropyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","AKMBOALNCLZYMQ-UHFFFAOYSA-N","370620",NA,"PDBC36121","643913","Present"
-"Ethyl 4-methyl-3-(1-phenylpyrrol-3-yl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-methyl-3-(1-phenylpyrrol-3-yl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=CN1)C)C2=CN(C=C2)C3=CC=CC=C3","ABZMDEXOGOKIDW-UHFFFAOYSA-N","390187",NA,"PDBC36122","687348","Present"
-"Ethyl 4-methyl-3-(4-phenylpyrrolo[1,2-a]quinoxalin-1-yl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-methyl-3-(4-phenylpyrrolo[1,2-a]quinoxalin-1-yl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=CN1)C)C2=CC=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5","ULOYISYHMMBKOH-UHFFFAOYSA-N","390189",NA,"PDBC36123","687350","Present"
-"Ethyl 4-oxo-1,3-diphenyl-2-thioxo-5-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-1,3-diphenyl-2-sulfanylidene-5-(3,4,5-trimethoxybenzoyl)oxythieno[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC","ILPRSOWIQBUWDK-UHFFFAOYSA-N","383099",NA,"PDBC36124","671143","Present"
-"Ethyl 4-oxo-1,3-diphenyl-2-thioxo-6-((3,4,5-trimethoxybenzoyl)thio)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-1,3-diphenyl-2-thioxo-6-(3,4,5-trimethoxybenzoyl)sulfanyl-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC(=C(C(=C4)OC)OC)OC","AEJDQKJNUIAKPB-UHFFFAOYSA-N","383072",NA,"PDBC36125","671116","Present"
-"Ethyl 4-oxo-1,3-diphenyl-5-((2-thienylcarbonyl)oxy)-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-1,3-diphenyl-5-(thiophene-2-carbonyloxy)-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CS5","VRESZZRZYAKCQJ-UHFFFAOYSA-N","383101",NA,"PDBC36126","671145","Present"
-"Ethyl 4-oxo-1,3-diphenyl-6-((2-(1-piperidinyl)ethyl)thio)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Pyrimidine-5-carboxylic acid, hexahydro-4-oxo- 1,3-diphe...","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCCC4","QMTUMNZZJKUEFZ-UHFFFAOYSA-N","376034",NA,"PDBC36127","656433","Present"
-"Ethyl 4-oxo-1,3-diphenyl-6-((3-(1-piperidinyl)propyl)thio)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-1,3-diphenyl-6-[3-(1-piperidyl)propylsulfanyl]-2-thioxo-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCCN4CCCCC4","MZTJFHYIAUDHQK-UHFFFAOYSA-N","376036",NA,"PDBC36128","656435","Present"
-"Ethyl 4-oxo-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCC4","DXARGSBGLDYEJZ-UHFFFAOYSA-N","396733",NA,"PDBC36129","703443","Present"
-"Ethyl 4-oxo-1,3-diphenyl-6-[(E)-3-phenylprop-2-enoyl]sulfanyl-2-thioxo-pyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-1,3-diphenyl-6-[(E)-3-phenylprop-2-enoyl]sulfanyl-2-thioxo-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C=CC4=CC=CC=C4","DKVLNABQDFRCCF-VHEBQXMUSA-N","5909147",NA,"PDBC36130","671111","Present"
-"Ethyl 4-oxo-1-phenylcyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 1-phenylcyclohexan-4-one-1-carboxylate","","CCOC(=O)C1(CCC(=O)CC1)C2=CC=CC=C2","SYBVWVIZANWJOR-UHFFFAOYSA-N","366551",NA,"PDBC36131","635173","Present"
-"Ethyl 4-oxo-1H-1,7-phenanthroline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-1H-1,7-phenanthroline-3-carboxylate","","CCOC(=O)C1=CN=C2C3=CC=CNC3=CC=C2C1=O","DRTVKIRODYRCTP-UHFFFAOYSA-N","367726",NA,"PDBC36132","637663","Present"
-"Ethyl 4-oxo-2-(propylamino)-4,5-dihydro-3-furancarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-2-(propylamino)-4,5-dihydro-3-furancarboxylate","","CCCNC1=C(C(=O)CO1)C(=O)OCC","WYGKJNWUWMHBLG-UHFFFAOYSA-N","366155",NA,"PDBC36133","634482","Present"
-"Ethyl 4-oxo-2-phenyl-1H-quinoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","CS-0089006","","CCOC(=O)C1=C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3","KAXJGTFTNGYKFK-UHFFFAOYSA-N","289858",NA,"PDBC36134","152205","Present"
-"Ethyl 4-oxo-3-phenyl-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-3-phenyl-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate","","CCOC(=O)C1=C2N=NN(C(=O)N2C3=CC=CC=C31)C4=CC=CC=C4","MVBRMPHSRUYJTQ-UHFFFAOYSA-N","396113",NA,"PDBC36135","701661","Present"
-"Ethyl 4-oxo-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-3-carboxylate","","CCOC(=O)C1=CN=C2C=C3C=CC=CC=C3N2C1=O","UKQJCROHRDRMAZ-UHFFFAOYSA-N","363760",NA,"PDBC36136","628952","Present"
-"Ethyl 4-oxo-8-phenylsulfanyl-1H-1,7-naphthyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-oxo-8-phenylsulfanyl-1H-1,7-naphthyridine-3-carboxylate","","CCOC(=O)C1=CNC2=C(C1=O)C=CN=C2SC3=CC=CC=C3","WDTQPMXCFFXDQT-UHFFFAOYSA-N","394843",NA,"PDBC36137","698695","Present"
-"Ethyl 4-phenyl-2-(2-phenylhydrazino)-3-quinolinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-phenyl-2-(2-phenylhydrazino)-3-quinolinecarboxylate","","CCOC(=O)C1=C(C2=CC=CC=C2N=C1NNC3=CC=CC=C3)C4=CC=CC=C4","IPESHNTZHMXLMX-UHFFFAOYSA-N","372525",NA,"PDBC36138","647659","Present"
-"Ethyl 4-phenyl-2-(piperazin-1-ylmethyl)quinoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-phenyl-2-(piperazin-1-ylmethyl)quinoline-3-carboxylate","","CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCNCC3)C4=CC=CC=C4","AAMDJJYQUDCDDC-UHFFFAOYSA-N","402860",NA,"PDBC36139","717124","Present"
-"Ethyl 4-phenyl-4-azepanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-phenylazacyclohept-4-ylcarboxylate hydrate [1:1]","","CCOC(=O)C1(CCCNCC1)C2=CC=CC=C2","VUAIRCAKYUJYJY-UHFFFAOYSA-N","366552",NA,"PDBC36140","635174","Present"
-"Ethyl 5,5-dioxophenothiazine-10-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 10H-phenothiazine-10-carboxylate 5,5-dioxide","","CCOC(=O)N1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31","DHKCFIVYDMEEST-UHFFFAOYSA-N","223620",NA,"PDBC36141","11383","Present"
-"Ethyl 5,6-diacetyl-4-hydroxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5,6-diacetyl-4-hydroxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate","","CCOC(=O)C1=CC2=C3CCN(C3=C(C(=C2N1)O)C(=O)C)C(=O)C","AQWGSVAKLBKKKV-UHFFFAOYSA-N","393073",NA,"PDBC36142","694458","Present"
-"Ethyl 5,6-dibromo-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]-6-methyl-2-oxo-4-phenyl-hexahydropyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5,6-dibromo-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate","","CCOC(=O)C1(C(NC(=O)N(C1(C)Br)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6)Br","DFRSBNUJYYIPAU-UHFFFAOYSA-N","370619",NA,"PDBC36143","643912","Present"
-"Ethyl 5,6-dimethoxy-7-oxo-3,7,8,8a-tetrahydrocyclopenta[ij]isoquinoline-1(2H)-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5,6-dimethoxy-7-oxo-3,7,8,8a-tetrahydrocyclopenta[ij]isoquinoline-1(2H)-carboxylate","","CCOC(=O)N1CCC2=CC(=C(C3=C2C1CC3=O)OC)OC","JGYRDCDLJVCFQP-UHFFFAOYSA-N","363752",NA,"PDBC36144","628944","Present"
-"Ethyl 5,6-dimethyl-2-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]imidazole-7-carboxylate","","","","","","","","","","","","","","","","","","","","1H-Pyrrolo[1,2-a]imidazole-7-carboxylic acid, 2,3-dihydr...","","CCOC(=O)C1=C2NC(=O)CN2C(=C1C)C","XVXITRAKQOVWKD-UHFFFAOYSA-N","361741",NA,"PDBC36145","624983","Present"
-"Ethyl 5,6-dimethyl-7,12-dioxo-1,4,6,7,12,12b-hexahydronaphtho[2,3-f]isoquinoline-3(2H)-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5,6-dimethyl-7,12-dioxo-1,4,6,7,12,12b-hexahydronaphtho[2,3-f]isoquinoline-3(2H)-carboxylate","","CCOC(=O)N1CCC2C(=C(C(C3=C2C(=O)C4=CC=CC=C4C3=O)C)C)C1","CAENHLBZXKEJNX-UHFFFAOYSA-N","378545",NA,"PDBC36146","661179","Present"
-"Ethyl 5,6-diphenyl-3-((triphenylphosphoranylidene)amino)-4-pyridazinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5,6-diphenyl-3-((triphenylphosphoranylidene)amino)-4-pyridazinecarboxylate","","CCOC(=O)C1=C(C(=NN=C1N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","NTSPCRVUULMDBC-UHFFFAOYSA-N","381182",NA,"PDBC36147","667513","Present"
-"Ethyl 5,7-difluoro-3-hydroxy-2-quinoxalinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5,7-difluoro-3-hydroxy-2-quinoxalinecarboxylate","","CCOC(=O)C1=NC2=C(C(=CC(=C2)F)F)NC1=O","USNWWZHJBULHHQ-UHFFFAOYSA-N","387927",NA,"PDBC36148","682232","Present"
-"Ethyl 5,8-dimethoxy-4-(propionyloxy)-2-naphthoate","","","","","","","","","","","","","","","","","","","","Ethyl 5,8-dimethoxy-4-(propionyloxy)-2-naphthoate","","CCC(=O)OC1=CC(=CC2=C(C=CC(=C12)OC)OC)C(=O)OCC","HRCNKNSXLAZRTK-UHFFFAOYSA-N","361847",NA,"PDBC36149","625163","Present"
-"Ethyl 5-((2,4-dichlorobenzoyl)oxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(2,4-dichlorobenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl","QBSTVHYRJSUECO-UHFFFAOYSA-N","383097",NA,"PDBC36150","671141","Present"
-"Ethyl 5-((4-methoxybenzoyl)oxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(4-methoxybenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)OC","YZUXLGUFUCNNCT-UHFFFAOYSA-N","383098",NA,"PDBC36151","671142","Present"
-"Ethyl 5-((acetyloxy)methyl)-3,4-bis(3-(acetyloxy)propyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-((acetyloxy)methyl)-3,4-bis(3-(acetyloxy)propyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=C(C(=C(N1)COC(=O)C)CCCOC(=O)C)CCCOC(=O)C","XXQYUBUIJFXKDD-UHFFFAOYSA-N","361818",NA,"PDBC36152","625135","Present"
-"Ethyl 5-((ethoxycarbonyl)oxy)-10H-thieno[2,3-a]carbazole-10-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-((ethoxycarbonyl)oxy)-10H-thieno[2,3-a]carbazole-10-carboxylate","","CCOC(=O)N1C2=CC=CC=C2C3=C(C=C4C=CSC4=C31)OC(=O)OCC","VERUBFLYWIDDSU-UHFFFAOYSA-N","380504",NA,"PDBC36153","666119","Present"
-"Ethyl 5-(2,4-dimethylanilino)-4-(dimethylhydrazono)-3-(3-hydroxy-2-quinoxalinyl)-2,5-dioxopentanoate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(2,4-dimethylanilino)-4-(dimethylhydrazono)-3-(3-hydroxy-2-quinoxalinyl)-2,5-dioxopentanoate","","CCOC(=O)C(=O)C(C1=NC2=CC=CC=C2NC1=O)C(=NN(C)C)C(=O)NC3=C(C=C(C=C3)C)C","IKKCDXPZMQQPIR-ANYBSYGZSA-N","9571362",NA,"PDBC36154","648622","Present"
-"Ethyl 5-(2-chlorophenyl)-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-(2-chlorophenyl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate","","CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC=CC=C4Cl","LLGWZMDRBOYEMS-UHFFFAOYSA-N","394379",NA,"PDBC36155","697779","Present"
-"Ethyl 5-(2-diazoacetyl)-4-(1-ethyl-2-thioxo-pyrrolidin-3-yl)-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(2-diazoacetyl)-4-(1-ethyl-2-thioxo-pyrrolidin-3-yl)-1H-pyrrole-3-carboxylate","","CCN1CCC(C1=S)C2=C(NC=C2C(=O)OCC)C(=O)C=[N+]=[N-]","WFSPLTJNLUDLDL-UHFFFAOYSA-N","392926",NA,"PDBC36156","694109","Present"
-"Ethyl 5-(2-furoyloxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(furan-2-carbonyloxy)-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CO5","CSRXZQOWDHSBJS-UHFFFAOYSA-N","383100",NA,"PDBC36157","671144","Present"
-"Ethyl 5-(2-isopropylidenehydrazino)thiadiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","STL436881","","CCOC(=O)C1=C(SN=N1)NN=C(C)C","QXGYMHPGHZGOCR-UHFFFAOYSA-N","388856",NA,"PDBC36158","684050","Present"
-"Ethyl 5-(2-tert-butoxycarbonyl-3-oxo-butanoyl)-1-methyl-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(2-tert-butoxycarbonyl-3-oxo-butanoyl)-1-methyl-pyrrole-2-carboxylate","","CCOC(=O)C1=CC=C(N1C)C(=O)C(C(=O)C)C(=O)OC(C)(C)C","JZMCKLIIENROBM-UHFFFAOYSA-N","393295",NA,"PDBC36159","694960","Present"
-"Ethyl 5-(2-thienyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(2-thienyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC=C(N1)C2=CC=CS2","HNNDTQISHZONEW-UHFFFAOYSA-N","384453",NA,"PDBC36160","674233","Present"
-"Ethyl 5-(3-hydroxy-2-butenoyl)-4-(2-oxo-1-phenyl-3-pyrrolidinyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(3-hydroxy-2-butenoyl)-4-(2-oxo-1-phenyl-3-pyrrolidinyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)C(=CC(=O)C)O)C2CCN(C2=O)C3=CC=CC=C3","MFCBKUHIWKBZTP-WQRHYEAKSA-N","5466510",NA,"PDBC36161","694961","Present"
-"Ethyl 5-(3-methylisoxazol-5-yl)-4-(5-oxo-1,2-dihydropyrrol-4-yl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(3-methylisoxazol-5-yl)-4-(5-oxo-1,2-dihydropyrrol-4-yl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3=CCNC3=O","JEERFBJPFGXBRJ-UHFFFAOYSA-N","393305",NA,"PDBC36162","694970","Present"
-"Ethyl 5-(3-methylisoxazol-5-yl)-4-(5-oxo-1-propyl-2H-pyrrol-4-yl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(3-methylisoxazol-5-yl)-4-(5-oxo-1-propyl-2H-pyrrol-4-yl)-1H-pyrrole-2-carboxylate","","CCCN1CC=C(C1=O)C2=C(NC(=C2)C(=O)OCC)C3=CC(=NO3)C","DSMGOPOXNOTSEE-UHFFFAOYSA-N","393078",NA,"PDBC36163","694463","Present"
-"Ethyl 5-(4-bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(4-bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC=C(N1)C2=C(C(=NO2)C)Br","ALVYVDSAWCZHQX-UHFFFAOYSA-N","392929",NA,"PDBC36164","694111","Present"
-"Ethyl 5-(4-bromophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(4-bromophenyl)-7-(methylsulfanyl)-5h-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate","","CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(C=N2)C4=CC=C(C=C4)Br","YYEPXBDQPFQOJQ-UHFFFAOYSA-N","390762",NA,"PDBC36165","688525","Present"
-"Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","LPOQYIAWZPQUSJ-UHFFFAOYSA-N","","CCOC(=O)C1=CC=C(N1)C2=CC=C(C=C2)Cl","LPOQYIAWZPQUSJ-UHFFFAOYSA-N","378974",NA,"PDBC36166","662566","Present"
-"Ethyl 5-(4-fluoroanilino)-3-(1-pyrrolidinyl)-4-isothiazolecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(4-fluoroanilino)-3-(1-pyrrolidinyl)-4-isothiazolecarboxylate","","CCOC(=O)C1=C(SN=C1N2CCCC2)NC3=CC=C(C=C3)F","BQSMNSPJNFTTNR-UHFFFAOYSA-N","385019",NA,"PDBC36167","675872","Present"
-"Ethyl 5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC=C(N1)C2=NNC(=C2)C","LTXIQZPMMHEGEU-UHFFFAOYSA-N","392535",NA,"PDBC36168","693051","Present"
-"Ethyl 5-(benzylimino)-4-methyl-4,5-dihydro-1,3,4-thiadiazol-2-ylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(benzylimino)-4-methyl-4,5-dihydro-1,3,4-thiadiazol-2-ylcarbamate","","CCOC(=O)NC1=NN(C(=NCC2=CC=CC=C2)S1)C","OMRSRBCUZUIUCC-UHFFFAOYSA-N","393158",NA,"PDBC36169","694570","Present"
-"Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","B-2000","","CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3","DCIFXYFKVKDOLL-UHFFFAOYSA-N","95721",NA,"PDBC36170","30931","Present"
-"Ethyl 5-(cyano(2-pyrrolidinylidene)acetyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(cyano(2-pyrrolidinylidene)acetyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC=C(N1)C(=O)C(=C2CCCN2)C#N","HJJJQZQMCBSLKR-MDZDMXLPSA-N","3005354",NA,"PDBC36171","694471","Present"
-"Ethyl 5-(diacetylamino)-1-benzothiophene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(diacetylamino)benzothiophene-2-carboxylate","","CCOC(=O)C1=CC2=C(S1)C=CC(=C2)N(C(=O)C)C(=O)C","YWCWYJPBSQOIBT-UHFFFAOYSA-N","396973",NA,"PDBC36172","704210","Present"
-"Ethyl 5-(dibutylamino)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(dibutylamino)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate","","CCCCN(CCCC)C1=NC2=CC=CC=C2N3C(=NN=C3C(=O)OCC)C1","LNAVGQKMJZTDOT-UHFFFAOYSA-N","383767",NA,"PDBC36173","672211","Present"
-"Ethyl 5-(dichloromethylene)-2,2-diphenyl-2,5-dihydro-1,3-oxazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(dichloromethylene)-2,2-diphenyl-2,5-dihydro-1,3-oxazole-4-carboxylate","","CCOC(=O)C1=NC(OC1=C(Cl)Cl)(C2=CC=CC=C2)C3=CC=CC=C3","PTTHNFORTJLYKS-UHFFFAOYSA-N","371339",NA,"PDBC36174","645528","Present"
-"Ethyl 5-(dimethylamino)-3H-1,2,4-dithiazol-3-ylidenecarbamate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(dimethylamino)-3H-1,2,4-dithiazol-3-ylidenecarbamate","","CCOC(=O)N=C1N=C(SS1)N(C)C","SUDCFPPAPCRBTM-UITAMQMPSA-N","9569875",NA,"PDBC36175","622655","Present"
-"Ethyl 5-(ethoxycarbonyl)-1-methyl-4-oxo-2,6-diphenylpiperidine-3-carboxylate, chloride","","","","","","","","","","","","","","","","","","","","Ethyl 5-(ethoxycarbonyl)-1-methyl-4-oxo-2,6-diphenylpiperidine-3-carboxylate, chloride","","CCOC(=O)C1C(N(C(C(C1=O)C(=O)OCC)C2=CC=CC=C2)C)C3=CC=CC=C3.Cl","QHXFSXCZYXQOSM-UHFFFAOYSA-N","18527349",NA,"PDBC36176","49899","Present"
-"Ethyl 5-(heptylthio)imidazo[1,5-a]quinazoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(heptylthio)imidazo[1,5-a]quinazoline-3-carboxylate","","CCCCCCCSC1=NC2=C(N=CN2C3=CC=CC=C31)C(=O)OCC","IISXBSPAITYLJK-UHFFFAOYSA-N","374754",NA,"PDBC36177","652998","Present"
-"Ethyl 5-(hydrazinecarbonylamino)thiadiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(hydrazinecarbonylamino)thiadiazole-4-carboxylate","","CCOC(=O)C1=C(SN=N1)NC(=O)NN","ROIJESIVERBYQT-UHFFFAOYSA-N","388865",NA,"PDBC36178","684058","Present"
-"Ethyl 5-(imidazole-1-carbonyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(imidazole-1-carbonyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC=C(N1)C(=O)N2C=CN=C2","SRFZPIXMFUEFFG-UHFFFAOYSA-N","393283",NA,"PDBC36179","694948","Present"
-"Ethyl 5-(tert-butoxycarbonylamino)-3-oxo-1,4,6,7-tetrahydro-2,1-benzoxazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(tert-butoxycarbonylamino)-3-oxo-1,4,6,7-tetrahydro-2,1-benzoxazole-5-carboxylate","","CCOC(=O)C1(CCC2=C(C1)C(=O)ON2)NC(=O)OC(C)(C)C","DKOPAEJFNARVGC-UHFFFAOYSA-N","393586",NA,"PDBC36180","695657","Present"
-"Ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-1,2-dimethylpyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-1,2-dimethylpyrrole-3-carboxylate","","CCOC(=O)C1=C(N(C(=C1)C=CC(=CC(=O)OC)C)C)C","KKXKUNPOYVZWKX-MFDVASPDSA-N","5388763",NA,"PDBC36181","638468","Present"
-"Ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-2-methylfuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-2-methylfuran-3-carboxylate","","CCOC(=O)C1=C(OC(=C1)C=CC(=CC(=O)OC)C)C","ZGNJWBNDXQQTEM-LQPGMRSMSA-N","5388758",NA,"PDBC36182","638463","Present"
-"Ethyl 5-[(2,6-dichlorophenyl)-[5-ethoxycarbonyl-4-hydroxy-6-(4-methylpiperazin-1-yl)-2-oxo-1H-pyridin-3-yl]methyl]-4-hydroxy-2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(2,6-dichlorophenyl)-[5-ethoxycarbonyl-4-hydroxy-6-(4-methylpiperazin-1-yl)-2-oxo-1H-pyridin-3-yl]methyl]-4-hydroxy-2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(C=CC=C2Cl)Cl)C3=C(C(=C(NC3=O)N4CCN(CC4)C)C(=O)OCC)O)N5CCN(CC5)C","WKIWQXWKYRFBMU-UHFFFAOYSA-N","54695418",NA,"PDBC36183","722829","Present"
-"Ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)methyl]-1H-indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)methyl]-1H-indole-2-carboxylate","","CCOC(=O)C1=CC2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(=C4)C(=O)OCC","RBVJUIQMEHTLLD-UHFFFAOYSA-N","389555",NA,"PDBC36184","685860","Present"
-"Ethyl 5-[(2E)-2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetyl]-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(2E)-2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetyl]-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC=C(N1)C(=O)C(=C2CCCN2C)C#N","QXVWJDXOTBOIAS-JLHYYAGUSA-N","3005358",NA,"PDBC36185","694952","Present"
-"Ethyl 5-[(2E)-2-cyano-2-pyrrolidin-2-ylideneacetyl]-1-methylpyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(2E)-2-cyano-2-pyrrolidin-2-ylideneacetyl]-1-methylpyrrole-2-carboxylate","","CCOC(=O)C1=CC=C(N1C)C(=O)C(=C2CCCN2)C#N","ILTZUNCDJGOAKU-ZHACJKMWSA-N","5469963",NA,"PDBC36186","694955","Present"
-"Ethyl 5-[(4-chlorophenyl)carbamoylamino]thiadiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(4-chlorophenyl)carbamoylamino]thiadiazole-4-carboxylate","","CCOC(=O)C1=C(SN=N1)NC(=O)NC2=CC=C(C=C2)Cl","RYNTZNMHGGQIEW-UHFFFAOYSA-N","388590",NA,"PDBC36187","683600","Present"
-"Ethyl 5-[(4-dimethylaminophenyl)-(5-ethoxycarbonyl-2,4-dihydroxy-6-morpholino-3-pyridyl)methyl]-4,6-dihydroxy-2-morpholino-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[[4-(dimethylamino)phenyl]-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=C(C=C2)N(C)C)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","BLTZPOLQKQUFNE-UHFFFAOYSA-N","54688718",NA,"PDBC36188","700484","Present"
-"Ethyl 5-[(5-ethoxycarbonyl-2,4-dihydroxy-6-morpholino-3-pyridyl)-(2-furyl)methyl]-4,6-dihydroxy-2-morpholino-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(furan-2-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=CO2)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","QYTWAIDUXIOUBP-UHFFFAOYSA-N","54688717",NA,"PDBC36189","700483","Present"
-"Ethyl 5-[(5-ethoxycarbonyl-2,4-dihydroxy-6-morpholino-3-pyridyl)-(2-thienyl)methyl]-4,6-dihydroxy-2-morpholino-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=CS2)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","OOBMPWCJYFJYGN-UHFFFAOYSA-N","54688716",NA,"PDBC36190","700482","Present"
-"Ethyl 5-[(5-ethoxycarbonyl-2,4-dihydroxy-6-pyrrolidin-1-yl-3-pyridyl)-(2-furyl)methyl]-4,6-dihydroxy-2-pyrrolidin-1-yl-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(furan-2-yl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=CO2)C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5","HRHXYRQXAVXSOM-UHFFFAOYSA-N","54687864",NA,"PDBC36191","700480","Present"
-"Ethyl 5-[(5-ethoxycarbonyl-2,4-dihydroxy-6-pyrrolidin-1-yl-3-pyridyl)-(2-thienyl)methyl]-4,6-dihydroxy-2-pyrrolidin-1-yl-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=CS2)C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5","RNJHJZYZJAKPSG-UHFFFAOYSA-N","54688714",NA,"PDBC36192","700479","Present"
-"Ethyl 5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-3-methyl-1,2-oxazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-3-methyl-1,2-oxazole-4-carboxylate","","CCOC(=O)C1=C(ON=C1C)N=NN(CCO)CCO","OYOHUMOSTXALBF-WYMLVPIESA-N","5471238",NA,"PDBC36193","709901","Present"
-"Ethyl 5-[(Z)-3-aminobut-2-enoyl]-4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-yl]-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[(Z)-3-aminobut-2-enoyl]-4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-yl]-1H-pyrrole-2-carboxylate","","CCC(C)CN1CCC(C1=S)C2=C(NC(=C2)C(=O)OCC)C(=O)C=C(C)N","XGXCNPTUDNINHQ-LCYFTJDESA-N","5469929",NA,"PDBC36194","694459","Present"
-"Ethyl 5-[1-(5-ethoxycarbonyl-2,4-dihydroxy-6-morpholino-3-pyridyl)-2-methyl-propyl]-4,6-dihydroxy-2-morpholino-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[1-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-2-methylpropyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate","","CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(C(=C(NC2=O)N3CCOCC3)C(=O)OCC)O)C(C)C)N4CCOCC4","RAZGLWLNDLGXPW-UHFFFAOYSA-N","54688715",NA,"PDBC36195","700481","Present"
-"Ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxobutanoyl]-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(2-tert-butoxycarbonyl-3-oxo-butanoyl)-1h-pyrrole-2-carboxylate","","CCOC(=O)C1=CC=C(N1)C(=O)C(C(=O)C)C(=O)OC(C)(C)C","GEYCSZOCARDDNG-UHFFFAOYSA-N","393284",NA,"PDBC36196","694949","Present"
-"Ethyl 5-[3-methoxy-2-[[2-[2-(3-methylbut-2-enoyl)-1H-indol-3-yl]acetyl]amino]-3-oxopropyl]imidazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-[3-methoxy-2-[[2-[2-(3-methylbut-2-enoyl)-1H-indol-3-yl]acetyl]amino]-3-oxopropyl]imidazole-1-carboxylate","","CCOC(=O)N1C=NC=C1CC(C(=O)OC)NC(=O)CC2=C(NC3=CC=CC=C32)C(=O)C=C(C)C","PUABESCNNBSDMO-UHFFFAOYSA-N","398079",NA,"PDBC36197","707444","Present"
-"Ethyl 5-acetamido-4-nitro-1-benzothiophene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-acetamido-4-nitro-benzothiophene-2-carboxylate","","CCOC(=O)C1=CC2=C(S1)C=CC(=C2[N+](=O)[O-])NC(=O)C","DJWVCDGXXXDBMO-UHFFFAOYSA-N","396971",NA,"PDBC36198","704208","Present"
-"Ethyl 5-acetyl-2-phenyl-6H-1,3-thiazine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-acetyl-2-phenyl-6H-1,3-thiazine-4-carboxylate","","CCOC(=O)C1=C(CSC(=N1)C2=CC=CC=C2)C(=O)C","BHXYIJHCGWYOQN-UHFFFAOYSA-N","361899",NA,"PDBC36199","625266","Present"
-"Ethyl 5-acetyl-4-(4-nitrobenzoyl)-1H-indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-acetyl-4-(4-nitrobenzoyl)-1H-indole-2-carboxylate","","CCOC(=O)C1=CC2=C(N1)C=CC(=C2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C","WRARGOMTFVQXBJ-UHFFFAOYSA-N","389560",NA,"PDBC36200","685865","Present"
-"Ethyl 5-acetyl-4-hydroxy-6-(2-methylbutyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-acetyl-4-hydroxy-6-(2-methylbutyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate","","CCC(C)CN1CCC2=C3C=C(NC3=C(C(=C21)C(=O)C)O)C(=O)OCC","HYFRXVTYVNFIKK-UHFFFAOYSA-N","393088",NA,"PDBC36201","694473","Present"
-"Ethyl 5-acetyl-4-methoxy-6-propanoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-acetyl-4-methoxy-6-propanoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate","","CCC(=O)N1CCC2=C3C=C(NC3=C(C(=C21)C(=O)C)OC)C(=O)OCC","UXTVUOTZRNUCSV-UHFFFAOYSA-N","393083",NA,"PDBC36202","694468","Present"
-"Ethyl 5-amino-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-amino-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylate","","CCOC(=O)C1=C(N(N=C1)C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)N","WUAXVMHTWIQVRZ-UHFFFAOYSA-N","45027939",NA,"PDBC36203","740235","Present"
-"Ethyl 5-amino-2-methylsulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-amino-2-methylsulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)N3CCCCC3)N","RBACGIUXMJCBBM-UHFFFAOYSA-N","394396",NA,"PDBC36204","697796","Present"
-"Ethyl 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylate","","CCOC(=O)C1(CCC2=C(C1)C(=O)NN2)N","ZTHZEYRQMZGQEG-UHFFFAOYSA-N","393585",NA,"PDBC36205","695656","Present"
-"Ethyl 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanyl-thieno[5,4-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCO4)N","UYZJXIZAGGHRRD-UHFFFAOYSA-N","399953",NA,"PDBC36206","711105","Present"
-"Ethyl 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCCO4)N","MEKIPALSNWAOLJ-UHFFFAOYSA-N","399954",NA,"PDBC36207","711106","Present"
-"Ethyl 5-amino-4-(2-chloroanilino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-amino-4-(2-chloroanilino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(N1)N=C(N=C2NC3=CC=CC=C3Cl)SC)N","BTBMMJOSJLJUCD-UHFFFAOYSA-N","394392",NA,"PDBC36208","697792","Present"
-"Ethyl 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCCCO4)N","VSYTWBHYFFTCIQ-UHFFFAOYSA-N","399955",NA,"PDBC36209","711107","Present"
-"Ethyl 5-amino-4-(3,4-dimethoxyanilino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-amino-4-[(3,4-dimethoxyphenyl)amino]-2-methylsulfanyl-thieno[5,4-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC(=C(C=C3)OC)OC)N","VHAXOPHGDIGCBF-UHFFFAOYSA-N","399947",NA,"PDBC36210","711099","Present"
-"Ethyl 5-amino-4-(methylamino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-amino-4-(methylamino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate","","CCOC(=O)C1=C(C2=C(N1)N=C(N=C2NC)SC)N","TXKCIIHZDFAGFZ-UHFFFAOYSA-N","394391",NA,"PDBC36211","697791","Present"
-"Ethyl 5-amino-4-nitro-1-benzothiophene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl-5-amino-4-nitro-1-benzothiophen-2-carboxylat","","CCOC(=O)C1=CC2=C(S1)C=CC(=C2[N+](=O)[O-])N","AFASMHIECIHLHN-UHFFFAOYSA-N","396972",NA,"PDBC36212","704209","Present"
-"Ethyl 5-amino-9H-pyrido[3,4-b]indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-amino-9H-pyrido[3,4-b]indole-3-carboxylate","","CCOC(=O)C1=NC=C2C(=C1)C3=C(C=CC=C3N2)N","MTMKKQZHXHWHCI-UHFFFAOYSA-N","365583",NA,"PDBC36213","633382","Present"
-"Ethyl 5-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","1H-Pyrazole-3-carboxylic acid, 5-benzoyl-4,5-dihydro- 4-...","","CCOC(=O)C1=NNC(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3","QMURMMKDJQPFOC-UHFFFAOYSA-N","386876",NA,"PDBC36214","679716","Present"
-"Ethyl 5-chloro-1H-1,2,3-triazol-4-ylcarbamate","","","","","","","","","","","","","","","","","","","","STL436973","","CCOC(=O)NC1=NNN=C1Cl","KZXRUNXKJCLDLN-UHFFFAOYSA-N","388846",NA,"PDBC36215","684040","Present"
-"Ethyl 5-chloro-2-hydroxypyrido[2,3-g]quinoxaline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-chloro-2-hydroxypyrido[2,3-g]quinoxaline-3-carboxylate","","CCOC(=O)C1=NC2=C(C=C3C=CC=NC3=C2Cl)NC1=O","IPWNOTBDUSNUBQ-UHFFFAOYSA-N","391197",NA,"PDBC36216","690030","Present"
-"Ethyl 5-chloro-7-oxocyclopenta[b]pyridine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-chloro-7-oxo-7h-cyclopenta[b]pyridine-6-carboxylate","","CCOC(=O)C1=C(C2=C(C1=O)N=CC=C2)Cl","MCQYZVDWCVWSDM-UHFFFAOYSA-N","403405",NA,"PDBC36217","718206","Present"
-"Ethyl 5-cyano-2-hydroxy-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-cyano-2-hydroxy-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3-carboxylate","","CCOC(=O)C1=C(N(C(=O)C(=C1)C#N)N=C(C)C2=CC=NC=C2)O","CSGRTUVHOQHXAE-VXLYETTFSA-N","135525522",NA,"PDBC36218","734787","Present"
-"Ethyl 5-cyano-2-methyl-4-(1-naphthyl)-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-cyano-2-methyl-4-naphthalen-1-yl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=CC3=CC=CC=C32)C#N)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","VEHGZWVRQJUION-UHFFFAOYSA-N","381203",NA,"PDBC36219","667535","Present"
-"Ethyl 5-cyano-2-thiophen-3-yl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-cyano-2-(3-thienyl)-1h-pyrrole-3-carboxylate","","CCOC(=O)C1=C(NC(=C1)C#N)C2=CSC=C2","JFFCQHWBNOXQCT-UHFFFAOYSA-N","398328",NA,"PDBC36220","708047","Present"
-"Ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate","","","","","","","","","","","","","","","","","","","","Ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate","","CCOC=NC1=C(C(C2=C(O1)N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C#N","VOXLHSVVVNMELG-BIZUNTBRSA-N","9571629",NA,"PDBC36221","691417","Present"
-"Ethyl 5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","NSC699178///NSC699184","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)OC)O)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","DQTQKTXDXCJSGT-UHFFFAOYSA-N","395021",NA,"PDBC36222","699178///699184","Present"
-"Ethyl 5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-cyano-4-(3-hydroxy-4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxylate","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)OC)O)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","CYDULLCXXMATIE-UHFFFAOYSA-N","395025",NA,"PDBC36223","699186","Present"
-"Ethyl 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","NSC699179///NSC699180","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)O)OC)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","LNNJQSCRAODWJD-UHFFFAOYSA-N","395022",NA,"PDBC36224","699179///699180","Present"
-"Ethyl 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","NSC699185///NSC699187","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)O)OC)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","OQGSILSKQFBTDG-UHFFFAOYSA-N","395024",NA,"PDBC36225","699185///699187","Present"
-"Ethyl 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","JFVOFTLGWNTAFL-UHFFFAOYSA-N","381279",NA,"PDBC36226","667715","Present"
-"Ethyl 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxylate","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","XRJYQXMYBFBTJQ-UHFFFAOYSA-N","381283",NA,"PDBC36227","667719","Present"
-"Ethyl 5-cyano-6-(2-furyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","3-Pyridinecarboxylic acid, 5-cyano-1,4-dihydro- 6-(2-fur...","","CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=CO3)C","YLPDZGQFQFVKEM-UHFFFAOYSA-N","386904",NA,"PDBC36228","679804","Present"
-"Ethyl 5-cyclopropyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-cyclopropyl-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate","","CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4CC4","MXBDNQNBZNKELC-UHFFFAOYSA-N","394378",NA,"PDBC36229","697778","Present"
-"Ethyl 5-ethoxy-2-phenyl-1,3-oxazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","AB55445","","CCOC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OCC","ZRVCOYITILDISC-UHFFFAOYSA-N","358994",NA,"PDBC36230","619206","Present"
-"Ethyl 5-ethyl-2,6-dihydroxy-4-methylnicotinate","","","","","","","","","","","","","","","","","","","","Ethyl 5-ethyl-2,6-dihydroxy-4-methylnicotinate","","CCC1=C(C(=C(NC1=O)O)C(=O)OCC)C","FLHWJKMEVNETFK-UHFFFAOYSA-N","135431328",NA,"PDBC36231","26145","Present"
-"Ethyl 5-ethyl-8-oxo-5,8-dihydro[1,3]dithiolo[4,5-g]quinoline-7-carboxylate","","","","","","","","","","","","","","","","","","","","2H-1,3-Dithiolo[4,5-g]quinoline-7-carboxylic acid, 5-eth...","","CCN1C=C(C(=O)C2=CC3=C(C=C21)SCS3)C(=O)OCC","KSSWNYHINJHCCN-UHFFFAOYSA-N","362375",NA,"PDBC36232","626119","Present"
-"Ethyl 5-hydrazino-1,2,3-thiadiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-hydrazino-1,2,3-thiadiazole-4-carboxylate","","CCOC(=O)C1=C(SN=N1)NN","DXRVRACCHWIPJB-UHFFFAOYSA-N","389966",NA,"PDBC36233","686668","Present"
-"Ethyl 5-hydroxy-1,2-dimethyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-hydroxy-1,2-dimethyl-1,6,7,8,9,10-hexahydropyrrolo[3,2-c]carbazole-3-carboxylate","","CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)C)C","FAIJNCAKHQGHTO-UHFFFAOYSA-N","404593",NA,"PDBC36234","720985","Present"
-"Ethyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate","","CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)CC5=CC=C(C=C5)OC)C","XTNNUQLGXGSGMM-UHFFFAOYSA-N","405350",NA,"PDBC36235","722573","Present"
-"Ethyl 5-hydroxy-2-methyl-1-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-hydroxy-2-methyl-1-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate","","CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)C5=CC=C(C=C5)C)C","KPPLKOAYRJBPAO-UHFFFAOYSA-N","405344",NA,"PDBC36236","722567","Present"
-"Ethyl 5-hydroxy-4,7-dioxo-benzothiophene-6-carboxylate","","","","","","","","","","","","","","","","","","","","6-[Ethoxy(hydroxy)methylidene]-1-benzothiophene-4,5,7(6H)-trione","","CCOC(=O)C1=C(C(=O)C2=C(C1=O)SC=C2)O","PYQXPAIMSTWCEK-UHFFFAOYSA-N","54686231",NA,"PDBC36237","651209","Present"
-"Ethyl 5-hydroxy-4-methoxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-a]carbazole-10(1H)-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-hydroxy-4-methoxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-a]carbazole-10(1H)-carboxylate","","CCOC(=O)N1C2=CC=CC=C2C3=C1C4=C(C(=C3O)OC)C(=O)NC4=O","DXBICQVGDKQDDS-UHFFFAOYSA-N","393592",NA,"PDBC36238","695663","Present"
-"Ethyl 5-hydroxy-7-methoxy-3-nitropyrrolo[2,3-d]pyridazine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-hydroxy-3-[hydroxy(oxido)amino]-7-methoxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylate","","CCOC(=O)C1=C(C2=CN(N=C(C2=N1)OC)O)[N+](=O)[O-]","OPZUFOHSCNIRKO-UHFFFAOYSA-N","303646",NA,"PDBC36239","192996","Present"
-"Ethyl 5-isopropyl-8-methyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]acetate","","CCOC(=O)CNC(=O)C(C)NC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1","GRFBEPMRBAWPHP-UHFFFAOYSA-N","381442",NA,"PDBC36240","668030","Present"
-"Ethyl 5-methyl-4-phenyl-1,3-thiazol-2-ylcarbamate","","","","","","","","","","","","","","","","","","","","Cambridge id 7267814","","CCOC(=O)NC1=NC(=C(S1)C)C2=CC=CC=C2","IFFOBFOAKGBWME-UHFFFAOYSA-N","260048",NA,"PDBC36241","90898","Present"
-"Ethyl 5-methyl-7-(4-nitrobenzoyl)-1H-indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-methyl-7-(4-nitrobenzoyl)-1H-indole-2-carboxylate","","CCOC(=O)C1=CC2=C(N1)C(=CC(=C2)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]","YGXALZXRWGUHEO-UHFFFAOYSA-N","389559",NA,"PDBC36242","685864","Present"
-"Ethyl 5-methyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-methyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate","","CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C","JBKSJJDWSINIFT-UHFFFAOYSA-N","394377",NA,"PDBC36243","697777","Present"
-"Ethyl 5-nitro-4-(4-nitrophenyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-nitro-4-(4-nitrophenyl)-1H-pyrrole-2-carboxylate","","CCOC(=O)C1=CC(=C(N1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]","CJZQVNYTOOWSDW-UHFFFAOYSA-N","378981",NA,"PDBC36244","662573","Present"
-"Ethyl 5-oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate","","CCOC(=O)C1=CN=C2NC=CN2C1=O","FVRDCZVVOUIEOK-UHFFFAOYSA-N","377283",NA,"PDBC36245","658536","Present"
-"Ethyl 5-oxo-2,3,5,8-tetrahydrothieno[3,2-g]quinoline-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-oxo-2,3,5,8-tetrahydrothieno[3,2-g]quinoline-6-carboxylate","","CCOC(=O)C1=CNC2=C(C1=O)C=C3CCSC3=C2","ASPMATCMBPYVLC-UHFFFAOYSA-N","376958",NA,"PDBC36246","658158","Present"
-"Ethyl 5-oxo-4,5-dihydroimidazo[1,5-a]quinazoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-oxo-4,5-dihydroimidazo[1,5-a]quinazoline-3-carboxylate","","CCOC(=O)C1=C2NC(=O)C3=CC=CC=C3N2C=N1","OLVFZZRAMIUIHH-UHFFFAOYSA-N","376207",NA,"PDBC36247","656745","Present"
-"Ethyl 6,6-dimethyl-4-oxo-5h-pyran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6,6-dimethyl-4-oxo-5h-pyran-3-carboxylate","","CCOC(=O)C1=COC(CC1=O)(C)C","KDIKHENHDBACRN-UHFFFAOYSA-N","395040",NA,"PDBC36248","699224","Present"
-"Ethyl 6,7-dichloro-1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 6,7-dichloro-3-phenyl-2-quinoxalincarboxylate 1,4-...","","CCOC(=O)C1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C3=CC=CC=C3","BRHZSLZKEOOOLJ-UHFFFAOYSA-N","24204287",NA,"PDBC36249","731201","Present"
-"Ethyl 6,7-dichloro-3-(2-ethoxy-2-oxoethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6,7-dichloro-3-(2-ethoxy-2-oxoethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate","","CCOC(=O)CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCC","XQMRFKKERSBSLJ-UHFFFAOYSA-N","403946",NA,"PDBC36250","719712","Present"
-"Ethyl 6,7-difluoro-1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 6,7-difluor-3-phenyl-2-quinoxalincarboxylate 1,4-d...","","CCOC(=O)C1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C3=CC=CC=C3","HMJXCGDMUMKQNF-UHFFFAOYSA-N","24204290",NA,"PDBC36251","731204","Present"
-"Ethyl 6,7-difluoro-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6,7-difluoro-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC(=C(C=C2N=C1NCC3=CC(=C(C(=C3)OC)OC)OC)F)F","NJVPTCILVNLDPI-UHFFFAOYSA-N","394498",NA,"PDBC36252","698043","Present"
-"Ethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate 1,4-dioxide","","","","","","","","","","","","","","","","","","","","1,4-di-N-oxide-6,7-difluor-2-ethoxycarbonyl-3-methylquin...","","CCOC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)F)[O-])C","DFZJKQVNUNPEIT-UHFFFAOYSA-N","4918469",NA,"PDBC36253","725536","Present"
-"Ethyl 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate","","CCOC(=O)C1=CN2C3=C(C=C(C(=C3)C)C)SC2=N1","FCOFKKGEHRBJTE-UHFFFAOYSA-N","396589",NA,"PDBC36254","703097","Present"
-"Ethyl 6,8-dimethyl-1-(4-methylphenyl)-5-thioxo-5,6-dihydro-1H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6,8-dimethyl-1-(p-tolyl)-5-thioxo-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate","","CCOC(=O)C1=NN(C2=CC(=NN(C(=S)N21)C)C)C3=CC=C(C=C3)C","SSDUFWYDOKFLCT-UHFFFAOYSA-N","383797",NA,"PDBC36255","672297","Present"
-"Ethyl 6,8-dimethyl-1-phenyl-5-thioxo-5,6-dihydro-1H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6,8-dimethyl-1-phenyl-5-thioxo-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate","","CCOC(=O)C1=NN(C2=CC(=NN(C(=S)N21)C)C)C3=CC=CC=C3","GTZGBRZINLRULU-UHFFFAOYSA-N","383798",NA,"PDBC36256","672298","Present"
-"Ethyl 6,8-dimethyl-4,5-dihydro-2H-pyrrolo[2,3-g]indazole-7-carboxylate","","","","","","","","","","","","","","","","","","","","Pyrrolo[2,3-g]indazole-7-carboxylic acid, 2,4,5,6-tetrah...","","CCOC(=O)C1=C(C2=C(N1C)CCC3=C2NN=C3)C","WOCBKWVOZPLPPG-UHFFFAOYSA-N","301367",NA,"PDBC36257","178002","Present"
-"Ethyl 6-((2-(4-chlorophenoxy)-2-methylpropanoyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-[2-(4-chlorophenoxy)-2-methylpropanoyl]sulfanyl-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C(C)(C)OC4=CC=C(C=C4)Cl","KNQUHPWQXSKVKF-UHFFFAOYSA-N","383068",NA,"PDBC36258","671112","Present"
-"Ethyl 6-((2-(4-morpholinyl)ethyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(2-morpholinoethylsulfanyl)-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCOCC4","ZNWNXXSUGUQELY-UHFFFAOYSA-N","376035",NA,"PDBC36259","656434","Present"
-"Ethyl 6-((2-ethoxy-2-oxoethyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate","","CCOC(=O)CSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC","PAQVPRADGFPWLO-UHFFFAOYSA-N","383059",NA,"PDBC36260","671103","Present"
-"Ethyl 6-((2-hydroxyethyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(2-hydroxyethylsulfanyl)-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCO","DQRIAKCDZCNMQU-UHFFFAOYSA-N","383060",NA,"PDBC36261","671104","Present"
-"Ethyl 6-((4-chlorobenzoyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-chlorobenzoyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC=C(C=C4)Cl","WXZRFEBAJOJVJX-UHFFFAOYSA-N","383070",NA,"PDBC36262","671114","Present"
-"Ethyl 6-((4-methoxybenzoyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-methoxybenzoyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC=C(C=C4)OC","SXHWWKZJYKIIBR-UHFFFAOYSA-N","383069",NA,"PDBC36263","671113","Present"
-"Ethyl 6-((4-tert-butylbenzoyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 4-(4-tert-butylbenzoyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC=C(C=C4)C(C)(C)C","SMBSMUYVIBTTSY-UHFFFAOYSA-N","383071",NA,"PDBC36264","671115","Present"
-"Ethyl 6-(3-bromophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-(3-bromophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate","","CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CC(=C2)C)O)C3=CC(=CC=C3)Br","RDHSVIVMQUOVDX-UHFFFAOYSA-N","403650",NA,"PDBC36265","718718","Present"
-"Ethyl 6-(3-chlorophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-(3-chlorophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate","","CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CC(=C2)C)O)C3=CC(=CC=C3)Cl","SVNJZZKCTUMZDE-UHFFFAOYSA-N","403639",NA,"PDBC36266","718707","Present"
-"Ethyl 6-(4-oxo-4H-chromen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-(4-oxo-4H-chromen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate","","CCOC(=O)C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3","LZIOVLJGKCCYKV-UHFFFAOYSA-N","361050",NA,"PDBC36267","623793","Present"
-"Ethyl 6-(6-acetyl-5-hydroxy-4-methoxy-7,8-dihydrothieno[3,2-e]indole-2-carbonyl)-5-hydroxy-4-methoxy-7,8-dihydrothieno[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-((6-acetyl-5-hydroxy-4-methoxy-7,8-dihydro-6H-thieno[3,2-e]indol-2-yl)carbonyl)-5-hydroxy-4-methoxy-7,8-dihydro-6H-thieno[3,2-e]indole-2-carboxylate","","CCOC(=O)C1=CC2=C3CCN(C3=C(C(=C2S1)OC)O)C(=O)C4=CC5=C6CCN(C6=C(C(=C5S4)OC)O)C(=O)C","DBHKAVVBCKMIGD-UHFFFAOYSA-N","363102",NA,"PDBC36268","627672","Present"
-"Ethyl 6-(benzylamino)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-(benzylamino)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)NCC4=CC=CC=C4","URPGXRRFSWCLHF-UHFFFAOYSA-N","376039",NA,"PDBC36269","656438","Present"
-"Ethyl 6-(benzyloxy)-5-methoxy-1-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-benzo[de][1,8]naphthyridine-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-methoxy-12-(4-methoxyphenyl)-11-methyl-6-phenylmethoxy-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8-pentaene-3-carboxylate","","CCOC(=O)C1=NC2=C3C(=CC(=C(C3=C1)OCC4=CC=CC=C4)OC)CC(N2C5=CC=C(C=C5)OC)C","ORCHUHMKJLLBJL-UHFFFAOYSA-N","373946",NA,"PDBC36270","650978","Present"
-"Ethyl 6-(bromomethyl)-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-(bromomethyl)-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate","","CCOC(=O)C1=C(N2C(=NC(=N2)C3=CC=CC=C3)S1)CBr","WJECFPAULLARKL-UHFFFAOYSA-N","378562",NA,"PDBC36271","661201","Present"
-"Ethyl 6-(hydroxymethyl)-1,4-dithiepane-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-(hydroxymethyl)-1,4-dithiepane-6-carboxylate","","CCOC(=O)C1(CSCCSC1)CO","MTWPNJXCOIKTFR-UHFFFAOYSA-N","373721",NA,"PDBC36272","650623","Present"
-"Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyanilino)-2-quinoxalinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyanilino)-2-quinoxalinecarboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC(=C(C(=C3)OC)OC)OC","FZBMIYHQEOXBKJ-UHFFFAOYSA-N","383930",NA,"PDBC36273","672886","Present"
-"Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC(=C(C(=C3)OC)OC)OC","CCHQDVAINNQOQW-UHFFFAOYSA-N","393428",NA,"PDBC36274","695315","Present"
-"Ethyl 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC(=C(C(=C3)OC)OC)OC","MDFRZXVWANAHDK-UHFFFAOYSA-N","387374",NA,"PDBC36275","681126","Present"
-"Ethyl 6-amino-2,4-dioxo-1,3-diphenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-amino-2,4-dioxo-1,3-diphenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","CCOC(=O)C1=C(N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)N","HMZCJRRYHURFCF-UHFFFAOYSA-N","376037",NA,"PDBC36276","656436","Present"
-"Ethyl 6-amino-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-amino-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)N","SJYWYHOVRMBDRX-UHFFFAOYSA-N","376038",NA,"PDBC36277","656437","Present"
-"Ethyl 6-amino-5-cyano-4-(2-methoxyphenyl)-2-propyl-4H-pyran-3-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 6-amino-5-cyano-4-(2-methoxyphenyl)-2-propyl-4H-py...","","CCCC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2OC)C(=O)OCC","WMHBSSALMXHBOA-UHFFFAOYSA-N","3896903",NA,"PDBC36278","737797","Present"
-"Ethyl 6-benzyl-4-hydroxy-3H-pyrrolo[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-benzyl-4-hydroxy-3H-pyrrolo[3,2-e]indole-2-carboxylate","","CCOC(=O)C1=CC2=C3C=CN(C3=CC(=C2N1)O)CC4=CC=CC=C4","OJFBSSXCIADESG-UHFFFAOYSA-N","393085",NA,"PDBC36279","694470","Present"
-"Ethyl 6-benzyl-4-oxo-3,5,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-benzyl-4-oxo-3,5,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate","","CCOC(=O)C1=CC2=C(N1)C(=O)CC3=C2CCN3CC4=CC=CC=C4","BJRCMMRPEDPNGZ-UHFFFAOYSA-N","393087",NA,"PDBC36280","694472","Present"
-"Ethyl 6-benzylidene-2-cyano-5-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylimidoformate","","","","","","","","","","","","","","","","","","","","Ethyl 6-benzylidene-2-cyano-5-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylimidoformate","","CCOC=NC1=C(SC2=NC(=CC3=CC=CC=C3)C(=O)N12)C#N","YIRFWAIRGXOUFQ-DVHDXZMDSA-N","9571582",NA,"PDBC36281","684397","Present"
-"Ethyl 6-bromo-1-butyl-2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxyindole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-bromo-1-butyl-2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-indole-3-carboxylate","","CCCCN1C2=CC(=C(C=C2C(=C1CSC3=CC=C(C=C3)Cl)C(=O)OCC)OC)Br","KUHSINKLRQAHKQ-UHFFFAOYSA-N","396474",NA,"PDBC36282","702651","Present"
-"Ethyl 6-bromo-1-butyl-5-[[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl]methoxy]-2-methyl-indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-bromo-1-butyl-5-[[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl]methoxy]-2-methylindole-3-carboxylate","","CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC3=CC=C(C=C3)C(=O)NN4C(=CC=C4C)C)C(=O)OCC)C","IEFSLWBEJOZUNQ-UHFFFAOYSA-N","390889",NA,"PDBC36283","689000","Present"
-"Ethyl 6-butyl-1H-[1,3]azaphospholo[1,5-a]pyridin-4-ium-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-butyl-1H-[1,3]azaphospholo[1,5-a]pyridin-4-ium-3-carboxylate","","CCCCC1=C[N+]2=C(CP=C2C(=O)OCC)C=C1","XPRPJESLUUGWRK-UHFFFAOYSA-N","495550",NA,"PDBC36284","658783","Present"
-"Ethyl 6-butyl-3-methylsulfanyl-9,11-dioxo-15-thia-2,4,6,8-tetrazatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),12-tetraene-10-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-butyl-3-methylsulfanyl-9,11-dioxo-15-thia-2,4,6,8-tetrazatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),12-tetraene-10-carboxylate","","CCCCN1CN2C(=O)C(C(=O)C3=C2C4=C1N=C(N=C4S3)SC)C(=O)OCC","UNLJEZANVBQVQL-UHFFFAOYSA-N","402906",NA,"PDBC36285","717228","Present"
-"Ethyl 6-carbamoyl-5,7-dioxo-cyclopenta[c]pyridine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-carbamoyl-5,7-dioxo-cyclopenta[c]pyridine-6-carboxylate","","CCOC(=O)C1(C(=O)C2=C(C1=O)C=NC=C2)C(=O)N","STQSNGHFXKNZBI-UHFFFAOYSA-N","389471",NA,"PDBC36286","685679","Present"
-"Ethyl 6-chloro-2-(4-chlorophenylsulfonyl)-1,3-dihydro-1,4,2-benzodithiazine-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-chloro-2-(4-chlorophenylsulfonyl)-1,1-dioxo-3-(p...","","CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NC3=CC=CC=C3)N(S2(=O)=O)S(=O)(=O)C4=CC=C(C=C4)Cl","SGJROTXYYZGAHG-UHFFFAOYSA-N","24205031",NA,"PDBC36287","734035","Present"
-"Ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","6-chloro-2-methyl-4-phenylquinolin-3-ethyl carboxylate","","CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C","BHCZANKDQKMIBU-UHFFFAOYSA-N","629761",NA,"PDBC36288","737758","Present"
-"Ethyl 6-chloro-3-[N-(4-fluorophenyl)-5-methoxybenzenesulfonamido]-1,4,2-benzodithiazine-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-chloro-3-[N-(4-fluorophenyl)-5-methoxybenzenesul...","","CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)OC","PYTNSNPHCLJYHX-UHFFFAOYSA-N","24206075",NA,"PDBC36289","740012","Present"
-"Ethyl 6-chloro-3-[N-(4-methoxyphenyl)-4-chlorobenzenesulfonamido]-1,4,2-benzodithiazine-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-chloro-3-[N-(4-methoxyphenyl)-4-chlorobenzenesul...","","CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)Cl","FUBJMCFDBDPAHE-UHFFFAOYSA-N","24206077",NA,"PDBC36290","740014","Present"
-"Ethyl 6-chloro-4-phenyl-2-(1-piperazinylmethyl)-3-quinolinecarboxylate","","","","","","","","","","","","","","","","","","","","Quinoline-3-carboxylic acid, 6-chloro-4-phenyl- 2-[(pipe...","","CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1CN3CCNCC3)C4=CC=CC=C4","ZMUYHDADZJBKGT-UHFFFAOYSA-N","369623",NA,"PDBC36291","641536","Present"
-"Ethyl 6-chloro-8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-chloro-8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxaz...","","CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C4=C(CC2)C=NO4)Cl","OYDDLHCZFRKVDF-UHFFFAOYSA-N","60148304",NA,"PDBC36292","754110","Present"
-"Ethyl 6-chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate","","CCOC(=O)C1=C2CCCC3=C(C=C(C(=C32)O1)OC)Cl","AZECOVGYESMNIP-UHFFFAOYSA-N","361663",NA,"PDBC36293","624881","Present"
-"Ethyl 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylate","","CCOC(=O)C1=C(N=C2N1C(=C(C3=CC=CC=C32)C#N)C)C","RDSSDVKTIGYWMI-UHFFFAOYSA-N","393407",NA,"PDBC36294","695250","Present"
-"Ethyl 6-cyano-2-[2-(6-cyano-6-ethoxycarbonyl-5,7-dioxocyclopenta[c]pyridin-2-ium-2-yl)ethyl]-5,7-dioxocyclopenta[c]pyridin-2-ium-6-carboxylate;bromide","","","","","","","","","","","","","","","","","","","","Ethyl 6-cyano-2-[2-(6-cyano-6-ethoxycarbonyl-5,7-dioxocyclopenta[c]pyridin-2-ium-2-yl)ethyl]-5,7-dioxocyclopenta[c]pyridin-2-ium-6-carboxylate;bromide","","CCOC(=O)C1(C(=O)C2=C(C1=O)C=[N+](C=C2)CC[N+]3=CC4=C(C=C3)C(=O)C(C4=O)(C#N)C(=O)OCC)C#N.[Br-]","NGOCKVVTOHMHKX-UHFFFAOYSA-M","389463",NA,"PDBC36295","685674","Present"
-"Ethyl 6-ethoxy-3,6-dihydroxy-4-(4-methoxyphenyl)-2-phenyl-5,7-dihydro-4H-indazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-ethoxy-6-hydroxy-4-(4-methoxyphenyl)-3-oxo-2-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate","","CCOC(=O)C1C(C2=C(CC1(O)OCC)NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC","XTHREJKVZNKFFZ-UHFFFAOYSA-N","392846",NA,"PDBC36296","693858","Present"
-"Ethyl 6-ethoxy-3,6-dihydroxy-4-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-ethoxy-3,6-dihydroxy-4-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate","","CCOC(=O)C1C(C2=C(CC1(O)OCC)NNC2=O)C3=CC=C(C=C3)OC","NXXQPBQSSHTVLR-UHFFFAOYSA-N","392844",NA,"PDBC36297","693856","Present"
-"Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate","","CCN1C=C(C(=O)C2=C1C=CC3=C2SC=C3)C(=O)OCC","IHCTTYHYQHWNEU-UHFFFAOYSA-N","376955",NA,"PDBC36298","658155","Present"
-"Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate 1,1-dioxide","","","","","","","","","","","","","","","","","","","","Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate 1,1-dioxide","","CCN1C=C(C(=O)C2=C1C=CC3=C2S(=O)(=O)C=C3)C(=O)OCC","XCYAGYVUBKJECG-UHFFFAOYSA-N","376956",NA,"PDBC36299","658156","Present"
-"Ethyl 6-fluoro-3-hydroxy-7-morpholino-quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-fluoro-3-hydroxy-7-morpholino-quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)F)N3CCOCC3","OBGFWKUSMBLCMB-UHFFFAOYSA-N","391194",NA,"PDBC36300","690027","Present"
-"Ethyl 6-hydroxy-2-oxo-3-phenyl-thieno[2,3-d]thiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-hydroxy-2-oxo-3-phenyl-thieno[2,3-d]thiazole-5-carboxylate","","CCOC(=O)C1=C(C2=C(S1)N(C(=O)S2)C3=CC=CC=C3)O","FVFYXKDZFVPEEL-UHFFFAOYSA-N","371945",NA,"PDBC36301","646667","Present"
-"Ethyl 6-hydroxy-4-phenyl-[1]benzofuro[2,3-b]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-Hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine -3...","","CCOC(=O)C1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O","ZIAVUCXRGWKBBY-UHFFFAOYSA-N","403994",NA,"PDBC36302","720029","Present"
-"Ethyl 6-hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate","","CCOC(=O)C1C(C2=CC3=C(C=C2OC1(C)O)OCO3)C4=CC(=C(C(=C4)OC)O)OC","YSGQHASRQDLYFR-UHFFFAOYSA-N","358795",NA,"PDBC36303","618864","Present"
-"Ethyl 6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate","","CCOC(=O)C1=C2CCCC3=C(C=CC(=C32)O1)OC","NGUJIGPABZYOJY-UHFFFAOYSA-N","361660",NA,"PDBC36304","624878","Present"
-"Ethyl 6-methyl-1-oxo-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-methyl-1-oxo-2-indanecarboxylate","","CCOC(=O)C1CC2=C(C1=O)C=C(C=C2)C","NGNZNXPCCYNWNH-UHFFFAOYSA-N","382676",NA,"PDBC36305","670324","Present"
-"Ethyl 6-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate","","CCOC(=O)C1(CC2=C(C1=O)C=C(C=C2)C)CC3=CC=C(C=C3)C","MDXXMGCOWMNOSP-UHFFFAOYSA-N","382681",NA,"PDBC36306","670329","Present"
-"Ethyl 6-methyl-2-(p-tolylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-methyl-2-(p-tolylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate","","CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NC3=CC=C(C=C3)C","GBGQWSROVBRSDL-UHFFFAOYSA-N","3005311",NA,"PDBC36307","690142","Present"
-"Ethyl 6-methyl-3-nitro-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-methyl-3-nitro-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate","","CCOC(=O)C1=C(NC(=O)N(C1C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])C","PBLGFANTKXXPDP-UHFFFAOYSA-N","402868",NA,"PDBC36308","717158","Present"
-"Ethyl 6-methyl-4-oxo-6-phenethyl-5h-pyran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-methyl-4-oxo-6-phenethyl-5h-pyran-3-carboxylate","","CCOC(=O)C1=COC(CC1=O)(C)CCC2=CC=CC=C2","NKLQGZDNGKMBFM-UHFFFAOYSA-N","395041",NA,"PDBC36309","699225","Present"
-"Ethyl 6-methyl-4-oxo-6-phenyl-5h-pyran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6-methyl-4-oxo-6-phenyl-5h-pyran-3-carboxylate","","CCOC(=O)C1=COC(CC1=O)(C)C2=CC=CC=C2","BKGAYMIQMJQFIV-UHFFFAOYSA-N","395039",NA,"PDBC36310","699223","Present"
-"Ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","CBMicro_030125","","CCOC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O","OGWYDXOVZXOHSD-UHFFFAOYSA-N","248840",NA,"PDBC36311","66338","Present"
-"Ethyl 6a-hydroxy-6-methoxy-8-methyl-7-(2-methylpropyl)-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6a-hydroxy-6-methoxy-8-methyl-7-(2-methylpropyl)-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(C(=O)CC2OC)C(=O)N(C3=O)C4=CC=CC=C4)O)CC(C)C)C","MRNLEHAAJJVLHL-UHFFFAOYSA-N","405614",NA,"PDBC36312","722984","Present"
-"Ethyl 6a-hydroxy-7-(4-methoxyphenyl)-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 6a-hydroxy-7-(4-methoxyphenyl)-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)C5=CC=C(C=C5)OC)C","SCTVEFSNKBRRPZ-UHFFFAOYSA-N","404900",NA,"PDBC36313","721468","Present"
-"Ethyl 7,14-dicyano-3,5-dioxo-4-phenyl-1-[(triphenyl-lambda5-phosphanylidene)amino]-9-thia-2,4,6-triazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7,14-dicyano-3,5-dioxo-4-phenyl-1-[(triphenyl-lambda5-phosphanylidene)amino]-9-thia-2,4,6-triazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-12-carboxylate","","CCOC(=O)C12CCSC1C3(C(=CC2(N4N3C(=O)N(C4=O)C5=CC=CC=C5)N=P(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C#N)C#N","UASYCYXROHZFQO-UHFFFAOYSA-N","365487",NA,"PDBC36314","633120","Present"
-"Ethyl 7,2,6,7-tetrahydropyrrolo[3',2':4,5]thiopyrano[3,2-b]pyridine-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7,9-dimethyl-2-oxo-3-(phenylsulfonyl)-1,2,6,7-tetr...","","CCOC(=O)C1=C(C2=C(N1C)CSC3=C2NC(=O)C(=C3)S(=O)(=O)C4=CC=CC=C4)C","JTDXQUZJNXBQRU-UHFFFAOYSA-N","54612952",NA,"PDBC36315","749872","Present"
-"Ethyl 7,8-dihydrofuro[3,2-e][1,3]benzodioxol-8-ylacetate","","","","","","","","","","","","","","","","","","","","Furo[3,2-e]1,3-benzodioxol-8-acetic acid, 7,8-dihydro-, ...","","CCOC(=O)CC1COC2=C1C3=C(C=C2)OCO3","IWSRYJBVMVDCBV-UHFFFAOYSA-N","367175",NA,"PDBC36316","636670","Present"
-"Ethyl 7,9-dibromo-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7,9-dibromo-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxylate","","CCOC(=O)C1=NOC2(C1)C=C(C(=O)C(=C2)Br)Br","ORARTTQFEFEHMJ-UHFFFAOYSA-N","397417",NA,"PDBC36317","705163","Present"
-"Ethyl 7-((aminocarbonyl)amino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-(carbamoylamino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate","","CCOC(=O)C1=C(N(C(C12CCOC2=O)(C)O)NC(=O)N)C","NZFSQGCYEUAVCR-UHFFFAOYSA-N","367823",NA,"PDBC36318","637898","Present"
-"Ethyl 7-((aminocarbonyl)amino)-6-oxo-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 11-(carbamoylamino)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate","","CCOC(=O)C1=C2N=CC3=C(N2N=C1)C=CN(C3=O)NC(=O)N","KQGZQKXSRBBQHD-UHFFFAOYSA-N","394668",NA,"PDBC36319","698270","Present"
-"Ethyl 7-(1,3-benzodioxol-5-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-(1,3-benzodioxol-5-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate","","CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC5=C(C=C4)OCO5","FCYXNMTZQWYZTE-UHFFFAOYSA-N","399950",NA,"PDBC36320","711102","Present"
-"Ethyl 7-(3,4-difluorophenyl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-(3,4-difluorophenyl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate","","CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC(=C(C=C4)F)F","WCGGUWAZMWJGMN-UHFFFAOYSA-N","399952",NA,"PDBC36321","711104","Present"
-"Ethyl 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate","","CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC5=C(C=C4)OCCCO5","USCVPMPUUMBIMM-UHFFFAOYSA-N","399951",NA,"PDBC36322","711103","Present"
-"Ethyl 7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)C5=CC=C(C=C5)Cl)C","XKNOGZSWLNIMQF-UHFFFAOYSA-N","404599",NA,"PDBC36323","720991","Present"
-"Ethyl 7-(dimethylamino)-2H-chromene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-(dimethylamino)-2H-chromene-4-carboxylate","","CCOC(=O)C1=CCOC2=C1C=CC(=C2)N(C)C","ARGHQPUSDLVPAL-UHFFFAOYSA-N","381079",NA,"PDBC36324","667230","Present"
-"Ethyl 7-(p-chlorophenyl)hydrazo-3-methyl-6-oxo thieno[2,2-b]thiophen-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-(p-chlorophenyl)hydrazo-3-methyl-6-oxo thieno[2,...","","CCOC(=O)C1=C(C2=C(S1)N=C3N(C2=S)C(=C(S3)N=NC4=CC=C(C=C4)Cl)O)C","VNZMDGCCCWWVBC-UHFFFAOYSA-N","406455",NA,"PDBC36325","724529","Present"
-"Ethyl 7-(trifluoromethyl)-3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-(trifluoromethyl)-3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC(=C(C(=C3)OC)OC)OC","FQAXSMLGALNSSS-UHFFFAOYSA-N","383933",NA,"PDBC36326","672889","Present"
-"Ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(C(=O)CC2OC)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=C(C=C(C=C5)Cl)Cl)C","LJUNDBXGQFYTAM-UHFFFAOYSA-N","405620",NA,"PDBC36327","722990","Present"
-"Ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=C(C=C(C=C5)Cl)Cl)C","WJFPSRHKGRYMDZ-UHFFFAOYSA-N","405617",NA,"PDBC36328","722987","Present"
-"Ethyl 7-[(4-methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7...","","CCOC(=O)C1=NOC2=C1CCC3=C(N(C=C32)CC4=CC=C(C=C4)OC)C5=CC(=C(C(=C5)OC)OC)OC","BIEYSIBLKWNZBK-UHFFFAOYSA-N","155812326",NA,"PDBC36329","793969","Present"
-"Ethyl 7-benzamido-1-chloro-10-hydroxy-6-oxo-azepino[1,2-a]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-benzamido-1-chloro-10-hydroxy-6-oxo-azepino[1,2-a]indole-9-carboxylate","","CCOC(=O)C1=C(C2=CC3=C(N2C(=O)C(=C1)NC(=O)C4=CC=CC=C4)C=CC=C3Cl)O","HVJIICUNLYOSAD-UHFFFAOYSA-N","54681659",NA,"PDBC36330","672148","Present"
-"Ethyl 7-benzoyl-2-(4-chlorophenyl)pyrrolo[1,2-b]pyridazine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-benzoyl-2-(4-chlorophenyl)pyrrolo[1,2-b]pyridazine-5-carboxylate","","CCOC(=O)C1=C2C=CC(=NN2C(=C1)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","RRVFUTXNJKKSQK-UHFFFAOYSA-N","394296",NA,"PDBC36331","697663","Present"
-"Ethyl 7-benzyl-3-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoxazolo[5,4-b]pyridine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-benzyl-3-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoxazolo[5,4-b]pyridine-5-carboxylate","","CCOC(=O)C1=CN(C2C(C1)C(=NO2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4","IDPPECWXGYLOCA-UHFFFAOYSA-N","380501",NA,"PDBC36332","666116","Present"
-"Ethyl 7-benzyl-6a-hydroxy-1,3,4-trioxo-2,8-diphenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-benzyl-6a-hydroxy-1,3,4-trioxo-2,8-diphenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=CC=CC=C5)C6=CC=CC=C6","RFBZVTYTIZTJSA-UHFFFAOYSA-N","404898",NA,"PDBC36333","721466","Present"
-"Ethyl 7-benzyl-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-benzyl-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(C(=O)CC2OC)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=CC=CC=C5)C","SWTNXDZXWWJKQC-UHFFFAOYSA-N","405615",NA,"PDBC36334","722985","Present"
-"Ethyl 7-benzyl-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-benzyl-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=CC=CC=C5)C","DDYYWSQQAFVCEL-UHFFFAOYSA-N","404307",NA,"PDBC36335","720489","Present"
-"Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","ZB1337","","CCOC(=O)C1=NC2=C(C=CC(=C2)Cl)NC1=O","QLQSEGZUZAKTPM-UHFFFAOYSA-N","387920",NA,"PDBC36336","682225","Present"
-"Ethyl 7-chloro-3-phenyl-2-quinoxalincarboxylate 1,4-dioxide","","","","","","","","","","","","","","","","","","","","ethyl 7-chloro-3-phenyl-2-quinoxalincarboxylate 1,4-dioxide","","CCOC(=O)C1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)Cl)C3=CC=CC=C3","VQJUUMXAWFDGRT-UHFFFAOYSA-N","24204289",NA,"PDBC36337","731203","Present"
-"Ethyl 7-chloro-3-trifluoromethylquinoxaline-2-carboxylat...","","","","","","","","","","","","","","","","","","","","Ethyl 7-chloro-3-trifluoromethylquinoxaline-2-carboxylat...","","CCOC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)Cl)[O-])C(F)(F)F","ZITCPUXWBHEWPV-UHFFFAOYSA-N","54613001",NA,"PDBC36338","749071","Present"
-"Ethyl 7-fluoro-3-hydroxy-6-morpholino-quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-fluoro-3-hydroxy-6-morpholino-quinoxaline-2-carboxylate","","CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)N3CCOCC3)F","FBTVVEKZLLDXHN-UHFFFAOYSA-N","391195",NA,"PDBC36339","690028","Present"
-"Ethyl 7-hydroxy-2-oxido-3a,4,5,6-tetrahydro-1,2-benzoxazol-2-ium-3-carboxylate","","","","","","","","","","","","","","","","","","","","8-Aza-9-ethoxycarbonyl-5-hydroxy-7-oxabicyclo[4.3.0.]non...","","CCOC(=O)C1=[N+](OC2=C(CCCC21)O)[O-]","AQWYBGVONYNHMP-UHFFFAOYSA-N","390773",NA,"PDBC36340","688536","Present"
-"Ethyl 7-imino-1,7a-dimethyl-3-oxo-2-phenyl-pyrazolo[4,3-b]pyridine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-imino-1,7a-dimethyl-3-oxo-2-phenyl-pyrazolo[3,4-e]pyridine-6-carboxylate","","CCOC(=O)C1=CN=C2C(=O)N(N(C2(C1=N)C)C)C3=CC=CC=C3","UIBXAQXPAUVAON-UHFFFAOYSA-N","390261",NA,"PDBC36341","687553","Present"
-"Ethyl 7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5-(allyl-methylsulfonyl-amino)-7-methoxy-3-methyl-4-nitro-1h-indole-2-carboxylate","","CCOC(=O)C1=C(C2=C(C(=CC(=C2N1)OC)N(CC=C)S(=O)(=O)C)[N+](=O)[O-])C","HRJYYHQVAQXJIM-UHFFFAOYSA-N","396977",NA,"PDBC36342","704214","Present"
-"Ethyl 7-methoxybenzo[d]imidazo[2,1-b]thiazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","NCIMech_000137","","CCOC(=O)C1=CN2C3=C(C=C(C=C3)OC)SC2=N1","UHKUIINEEJIQHE-UHFFFAOYSA-N","394240",NA,"PDBC36343","697569","Present"
-"Ethyl 7-methyl-1-(4-methylphenyl)-8,9a-diphenyl-5,6,7,9a-tetrahydro-1H-[1,2,4]triazolo[4,3-d][1,4]diazepine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-methyl-1-(4-methylphenyl)-8,9a-diphenyl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-3-carboxylate","","CCOC(=O)C1=NN(C2(N1CCN(C(=C2)C3=CC=CC=C3)C)C4=CC=CC=C4)C5=CC=C(C=C5)C","RMCQZPKWOCRAEJ-UHFFFAOYSA-N","388289",NA,"PDBC36344","682930","Present"
-"Ethyl 7-methyl-8-(2-methylpropyl)-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-methyl-8-(2-methylpropyl)-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=CN3)CC(C)C)C","IBBPIUWPHWPFDW-UHFFFAOYSA-N","24205837",NA,"PDBC36345","736912","Present"
-"Ethyl 7-nitro-9H-fluorene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 7-nitro-9H-fluorene-2-carboxylate","","CCOC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)[N+](=O)[O-]","SJHIRUANUBZSJK-UHFFFAOYSA-N","270691",NA,"PDBC36346","113323","Present"
-"Ethyl 8,9-dimethyl-3,4,6,7-tetrahydro-2H-1,5-dithionine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 8,9-dimethyl-3,4,6,7-tetrahydro-2H-1,5-dithionine-6-carboxylate","","CCOC(=O)C1CC(=C(SCCCS1)C)C","LDZFDXQFIMYMNE-KTKRTIGZSA-N","3004986",NA,"PDBC36347","666413","Present"
-"Ethyl 8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4...","","CCOC(=O)C1=CC2=C(N1CC3=CC(=CC(=C3)OC)OC)C4=C(CC2)C=NO4","FPWPTPWEKQDWRR-UHFFFAOYSA-N","60148305",NA,"PDBC36348","754111","Present"
-"Ethyl 8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g...","","CCOC(=O)C1=CC2=C(N1CC3=CC(=CC=C3)OC)C4=C(CC2)C=NO4","PZWHDUHHNPDBRO-UHFFFAOYSA-N","60148303",NA,"PDBC36349","754109","Present"
-"Ethyl 8-(4-chlorophenyl)-4-methyl-2-oxo-6-(2-thienyl)-4a,7-dihydrochromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl-8-(4-chlorophenyl)-4-methyl-2-oxo-6-(thiophen-2-yl...","","CCOC(=O)C1=C(C2C=C(CC(=C2OC1=O)C3=CC=C(C=C3)Cl)C4=CC=CS4)C","RLBODWIUAGVFRL-UHFFFAOYSA-N","392311",NA,"PDBC36350","692587","Present"
-"Ethyl 8-[(2,4-dichlorophenyl)methyl]-5-[(dimethylamino)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Ethyl 8-[(2,4-dichlorophenyl)methyl]-5-[(dimethylamino)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate;hydrochloride","","CCOC(=O)C1=C(N(C2=C3C(=C(C(=C12)CN(C)C)O)NC=N3)CC4=C(C=C(C=C4)Cl)Cl)C.Cl","SHBJLMOUNLFPAI-UHFFFAOYSA-N","24205841",NA,"PDBC36351","736916","Present"
-"Ethyl 8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=CN3)CC4=C(C=C(C=C4)Cl)Cl)C","MTQFAKHLRPTCBD-UHFFFAOYSA-N","24205839",NA,"PDBC36352","736914","Present"
-"Ethyl 8-benzyl-5,5-dimethyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate","","","","","","","","","","","","","","","","","","","","Ethyl 2-[[2-[[2-(benzyloxycarbonylamino)-2-methyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetate","","CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)OCC2=CC=CC=C2","NPZZUWMDCKICMF-UHFFFAOYSA-N","382212",NA,"PDBC36353","669670","Present"
-"Ethyl 8-benzyl-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate","","","","","","","","","","","","","","","","","","","","ethyl 8-benzyl-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-c...","","CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C4=C(CC2)C=NO4","KKXUUZXDIQZJJR-UHFFFAOYSA-N","60148299",NA,"PDBC36354","754105","Present"
-"Ethyl 8-benzyl-5-methyl-3-oxa-4,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,5,7(11),9,12,14-hexaene-14-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 8-benzyl-5-methyl-3-oxa-4,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,5,7(11),9,12,14-hexaene-14-carboxylate","","CCOC(=O)C1=NC2=C3C(=C(NO3)C)C4=C(C2=C1)C=CN4CC5=CC=CC=C5","ZSWSWFPCRRSDMQ-UHFFFAOYSA-N","393279",NA,"PDBC36355","694945","Present"
-"Ethyl 8-benzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 8-benzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate","","CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=CN3)CC4=CC=CC=C4)C","QKHWCZLTFLEUJH-UHFFFAOYSA-N","24205838",NA,"PDBC36356","736913","Present"
-"Ethyl 8-chloro-2,3-dihydrofuro[3,2-c]quinoline-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 8-chloro-2,3-dihydrofuro[3,2-c]quinoline-4-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)C3=C1CCO3","KLVNKYNYMFKWAC-UHFFFAOYSA-N","370193",NA,"PDBC36357","642934","Present"
-"Ethyl 8-ethyl-1,1,5-trioxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 8-ethyl-5-oxo-2,3,5,8-tetrahydrothieno[3,2-g]quinoline-6-carboxylate 1,1-dioxide","","CCN1C=C(C(=O)C2=C1C=C3C(=C2)CCS3(=O)=O)C(=O)OCC","HKJXDPJBIHGKNI-UHFFFAOYSA-N","376960",NA,"PDBC36358","658160","Present"
-"Ethyl 8-methoxy-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 8-methoxy-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate","","CCOC(=O)C1=C(N=C2N1C=CN=C2OC)C3=CC=CC=C3","UMVSNCJSEKJWAG-UHFFFAOYSA-N","383013",NA,"PDBC36359","670997","Present"
-"Ethyl 8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate","","CCOC(=O)C1=C2CCCC3=C2C(=C(C=C3)OC)O1","QOJOVOVSEAKREE-UHFFFAOYSA-N","361662",NA,"PDBC36360","624880","Present"
-"Ethyl 8-nitro-2,3-dihydrofuro[3,2-c]quinoline-4-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 8-nitro-2,3-dihydrofuro[3,2-c]quinoline-4-carboxylate","","CCOC(=O)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])C3=C1CCO3","SPIVIUJJRXFLFG-UHFFFAOYSA-N","370192",NA,"PDBC36361","642933","Present"
-"Ethyl 9,14-dihydroxy-15-(4-methoxyphenyl)-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 9,14-dihydroxy-15-(4-methoxyphenyl)-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)C5=CC=C(C=C5)OC)C","NVVGAJNQIPUFSH-UHFFFAOYSA-N","404601",NA,"PDBC36362","720993","Present"
-"Ethyl 9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate","","CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)C5=CC=C(C=C5)C)C","NGPZXSYROLDHLM-UHFFFAOYSA-N","405341",NA,"PDBC36363","722564","Present"
-"Ethyl 9,9,12-trimethyl-9,12-dihydrofuro[4,3,2-mn]pyrano[2,3-c]acridine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 5,5,19-trimethyl-6,10-dioxa-19-azapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene-11-carboxylate","","CCOC(=O)C1=C2C3=CC=CC=C3N(C4=C2C(=CC5=C4C=CC(O5)(C)C)O1)C","KFCITKIECFELNF-UHFFFAOYSA-N","392635",NA,"PDBC36364","693215","Present"
-"Ethyl 9-benzyl-5-hydroxy-2,3-dimethyl-8-(morpholin-4-ylmethyl)pyrrolo[2,3-f]quinoxaline-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 9-benzyl-5-hydroxy-2,3-dimethyl-8-(morpholin-4-ylmethyl)pyrrolo[2,3-f]quinoxaline-7-carboxylate","","CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)N=C(C(=N3)C)C)CC4=CC=CC=C4)CN5CCOCC5","WGRGAEMKXAQUEJ-UHFFFAOYSA-N","135426817",NA,"PDBC36365","720179","Present"
-"Ethyl 9-hydroxy-7H-pyrrolo[1,2-a]perimidine-8-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 9-hydroxy-7H-pyrrolo[1,2-a]perimidine-8-carboxylate","","CCOC(=O)C1=C2NC3=CC=CC4=C3C(=CC=C4)N2C=C1O","NYYPQGQVKYEWPE-UHFFFAOYSA-N","394283",NA,"PDBC36366","697649","Present"
-"Ethyl 9-methyl-5-oxo-4-oxa-2,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),6,11,13-pentaene-7-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 9-methyl-5-oxo-4-oxa-2,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),6,11,13-pentaene-7-carboxylate","","CCOC(=O)C1=CC(=O)OC2=C1N(C3=C(N2)C=CC=N3)C","CCGIRUWCWAQNEO-UHFFFAOYSA-N","395143",NA,"PDBC36367","699434","Present"
-"Ethyl 9-oxo-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazine-10-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl 9-oxo-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazine-10-carboxylate","","CCOC(=O)C1=NN2C3=C(C=CC4=CC=CC=C43)SC2=NC1=O","UEHLRINSHPMMEN-UHFFFAOYSA-N","364999",NA,"PDBC36368","631908","Present"
-"Ethyl N,N-di(propan-2-yl)-N'-(trifluoromethylsulfonyl)carbamimidate","","","","","","","","","","","","","","","","","","","","Ethyl N,N-di(propan-2-yl)-N'-(trifluoromethylsulfonyl)carbamimidate","","CCOC(=NS(=O)(=O)C(F)(F)F)N(C(C)C)C(C)C","MSDQFYOZKKTPEN-NTEUORMPSA-N","9572154",NA,"PDBC36369","705597","Present"
-"Ethyl N-(1-cyclohexyl-2,4-dioxopyrimidine-5-carbonyl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl[(1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2CCCCC2","DKCNIRWUYNCKKU-UHFFFAOYSA-N","364812",NA,"PDBC36370","631571","Present"
-"Ethyl N-(1-methoxy-5-methyl-2-bicyclo[2.2.2]oct-5-enyl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(1-methoxy-5-methyl-2-bicyclo[2.2.2]oct-5-enyl)carbamate","","CCOC(=O)NC1CC2CCC1(C=C2C)OC","YFKPGKXAIMOLCG-UHFFFAOYSA-N","357757",NA,"PDBC36371","617278","Present"
-"Ethyl N-(1-phenylethylcarbamothioyl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(1-phenylethylcarbamothioyl)carbamate","","CCOC(=O)NC(=S)NC(C)C1=CC=CC=C1","TUUBYWOSNQKXRV-UHFFFAOYSA-N","3005220",NA,"PDBC36372","683851","Present"
-"Ethyl N-(3-benzyl-1,2,4-triazol-4-yl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(3-benzyl-1,2,4-triazol-4-yl)carbamate","","CCOC(=O)NN1C=NN=C1CC2=CC=CC=C2","YGGRQFHITPISEJ-UHFFFAOYSA-N","387575",NA,"PDBC36373","681532","Present"
-"Ethyl N-(3-cyano-4-phenyl-1H-pyrrol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(3-cyano-4-phenyl-1H-pyrrol-2-yl)carbamate","","CCOC(=O)NC1=C(C(=CN1)C2=CC=CC=C2)C#N","LFNHGADCOOVAMU-UHFFFAOYSA-N","392112",NA,"PDBC36374","691984","Present"
-"Ethyl N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate","","CCOC(=O)NC1=C(C2=C(S1)CCC(C2)C)C#N","SKEPCWKFHZFMHJ-UHFFFAOYSA-N","402543",NA,"PDBC36375","716567","Present"
-"Ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate","","CCOC(=O)NN1C=NN=C1C","BIFCWZRVTIIPAU-UHFFFAOYSA-N","387574",NA,"PDBC36376","681531","Present"
-"Ethyl N-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)carbamate","","CCOC(=O)NN1C(=NN=C1C2=CC=CC=C2)C","CFJKUDDVEASFIJ-UHFFFAOYSA-N","387576",NA,"PDBC36377","681533","Present"
-"Ethyl N-(4-hydroxynaphthalene-1-carbothioyl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(4-hydroxynaphthalene-1-carbothioyl)carbamate","","CCOC(=O)NC(=S)C1=CC=C(C2=CC=CC=C21)O","NHMSSUPUELKLPU-UHFFFAOYSA-N","135426705",NA,"PDBC36378","710013","Present"
-"Ethyl N-(5-amino-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, (5-amino-1,2-dihydro-3-phenylpyrido[3,4-b...","","CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=CC=C3)N","RLHKYVHZNZMLRH-UHFFFAOYSA-N","54888",NA,"PDBC36379","330770","Present"
-"Ethyl N-(5-ethoxy-1,3-benzothiazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","6-Ethoxy-benzothiazol-2-yl-carbamic acid ethyl ester","","CCOC1=CC2=C(C=C1)SC(=N2)NC(=O)OCC","DQDISJUNLGDDAK-UHFFFAOYSA-N","155811246",NA,"PDBC36380","764934","Present"
-"Ethyl N-(6,7-dichloro-3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(6,7-dichloro-3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)carbamate","","CCOC(=O)NC1=[N+](C2=CC(=C(C=C2[N+](=C1C#N)[O-])Cl)Cl)[O-]","DASAVNHJBPMDCD-UHFFFAOYSA-N","135426809",NA,"PDBC36381","719370","Present"
-"Ethyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","6-Methoxy-benzothiazol-2-yl-carbamic acid ethyl ester","","CCOC(=O)NC1=NC2=C(S1)C=C(C=C2)OC","GHIRUMJDKBOSME-UHFFFAOYSA-N","596982",NA,"PDBC36382","764928","Present"
-"Ethyl N-(ethoxycarbonylamino)-N-(2,4,6-trimethylphenyl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(ethoxycarbonylamino)-N-(2,4,6-trimethylphenyl)carbamate","","CCOC(=O)NN(C1=C(C=C(C=C1C)C)C)C(=O)OCC","CEDACHUJMAIJLA-UHFFFAOYSA-N","392316",NA,"PDBC36383","692592","Present"
-"Ethyl N-(thiophen-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-(thiophen-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)carbamate","","CCOC(=O)N(CC1=CC=CS1)C2=CC(=C(C(=C2)OC)OC)OC","ASLOELGYAKDINH-UHFFFAOYSA-N","403779",NA,"PDBC36384","719252","Present"
-"Ethyl N-[(4-chlorophenyl)-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]carbamothioyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[(4-chlorophenyl)-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]carbamothioyl]carbamate","","CCOC(=O)NC(=S)N(CC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=CC=C(C=C2)Cl","GXNVLVBMLQNWEU-UHFFFAOYSA-N","45027996",NA,"PDBC36385","740535","Present"
-"Ethyl N-[(7-chloro-2-methylsulfanyl-4,5-dioxo-3H-pyrano[3,4-e][1,3]oxazin-2-yl)amino]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[(7-chloro-2-methylsulfanyl-4,5-dioxo-3H-pyrano[3,4-e][1,3]oxazin-2-yl)amino]carbamate","","CCOC(=O)NNC1(NC(=O)C2=C(O1)C=C(OC2=O)Cl)SC","NBHPEOLVWKJOSN-UHFFFAOYSA-N","396374",NA,"PDBC36386","702323","Present"
-"Ethyl N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, [5,6,7,9-tetrahydro-3-hydroxy-1,2-dimetho...","","CCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O","ADERDEOPUPHMEJ-HNNXBMFYSA-N","341883",NA,"PDBC36387","376251","Present"
-"Ethyl N-[(E)-1-(hydroxyamino)propylideneamino]carbamate","","","","","","","","","","","","","","","","","","","","NSC680865","","CCC(=NNC(=O)OCC)NO","YXDSKVQFKOGLLS-UHFFFAOYSA-N","6399359",NA,"PDBC36388","680865","Present"
-"Ethyl N-[(E)-4-(oxan-2-yloxy)but-2-enyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[(E)-4-(oxan-2-yloxy)but-2-enyl]carbamate","","CCOC(=O)NCC=CCOC1CCCCO1","ZTYFPTWEAYWQBJ-GQCTYLIASA-N","5387032",NA,"PDBC36389","619931","Present"
-"Ethyl N-[(E)-4-hydroxybut-2-enyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[(E)-4-hydroxybut-2-enyl]carbamate","","CCOC(=O)NCC=CCO","PYFSHSLWJJRPKR-ONEGZZNKSA-N","5387031",NA,"PDBC36390","619930","Present"
-"Ethyl N-[1-(3-hydroxypropyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-(3-hydroxypropyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCO","YDWNQJMCODBESP-UHFFFAOYSA-N","368822",NA,"PDBC36391","640090","Present"
-"Ethyl N-[1-[2-(2-hydroxyethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[2-(2-hydroxyethylamino)ethyl]-2,4-dioxo-pyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCNCCO","BOFZDORIISKVEE-UHFFFAOYSA-N","361688",NA,"PDBC36392","624907","Present"
-"Ethyl N-[1-[2-[4-[12-[4-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazin-1-yl]-12-oxododecanoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[2-[4-[12-[4-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazin-1-yl]-12-oxododecanoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C(=O)CCCCCCCCCCC(=O)N3CCN(CC3)CCN4C=C(C(=O)NC4=O)C(=O)NC(=O)OCC","QVTYPMQQRMOTSW-UHFFFAOYSA-N","363616",NA,"PDBC36393","628629","Present"
-"Ethyl N-[1-[2-[4-[6-[[4-[2-[3-[2-(diethylamino)ethyl]-5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-3-(3-ethylpentyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[2-[4-[6-[[4-[2-[3-[2-(diethylamino)ethyl]-5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-3-(3-ethylpentyl)-2,4-d","","CCC(CC)CCN1C(=O)C(=CN(C1=O)CCN2CCN(CC2)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C=C(C(=O)N(C4=O)CCN(CC)CC)C(=O)NC(=O)OCC)C(=O)NC(=O)OCC","IEOMKHDUUIKQIU-UHFFFAOYSA-N","363778",NA,"PDBC36394","628990","Present"
-"Ethyl N-[1-[2-[4-[6-[[4-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[2-[4-[6-[[4-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C=C(C(=O)NC4=O)C(=O)NC(=O)OCC","XNEBUJDJMFFWBC-UHFFFAOYSA-N","361367",NA,"PDBC36395","624393","Present"
-"Ethyl N-[1-[2-[6-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[2-[6-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN(CCO)C(=O)NCCCCCCNC(=O)N(CCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC)CCO","DHQHODFGABDXEC-UHFFFAOYSA-N","361366",NA,"PDBC36396","624392","Present"
-"Ethyl N-[1-[2-[[2-[[2-[3-[4-[3-[[2-[[2-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]acetyl]amino]acetyl]amino]propyl]piperazin-1-yl]propylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[1-[2-[[2-[[2-[3-[4-[3-[[2-[[2-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]acetyl]amino]acetyl]amino]propyl]piperazin-1-yl]propylamino]-2-oxoethyl]amino]-2-oxoethyl]a","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CC(=O)NCC(=O)NCC(=O)NCCCN2CCN(CC2)CCCNC(=O)CNC(=O)CNC(=O)CN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC","FKXGNYAKHNAEET-UHFFFAOYSA-N","362556",NA,"PDBC36397","626638","Present"
-"Ethyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCNCC2","KSCGCLBSVCNVTI-UHFFFAOYSA-N","361686",NA,"PDBC36398","624905","Present"
-"Ethyl N-[2,4-dioxo-1-[2-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]pyrimidine-5-carbonyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[2,4-dioxo-1-[2-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]pyrimidine-5-carbonyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C3=NC=NC4=C3NC=N4","UVORGMAGKSQHDP-UHFFFAOYSA-N","362258",NA,"PDBC36399","625870","Present"
-"Ethyl N-[2-(4-chlorophenyl)-1-imidazolidin-2-ylidene-2-oxoethyl]-N-(ethoxycarbonylamino)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[2-(4-chlorophenyl)-1-imidazolidin-2-ylidene-2-oxoethyl]-N-(ethoxycarbonylamino)carbamate","","CCOC(=O)NN(C(=C1NCCN1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC","MIRABSKTAANZJE-UHFFFAOYSA-N","359001",NA,"PDBC36400","619213","Present"
-"Ethyl N-[2-(4-chlorophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[2-(4-chlorophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate","","CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)SC3=CC=C(C=C3)Cl","AMNADWIXFLTXEV-UHFFFAOYSA-N","321836",NA,"PDBC36401","275971","Present"
-"Ethyl N-[2-(cyclohexen-1-yl)-1-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-morpholin-4-ylethenyl]-N-(ethoxycarbonylamino)carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[2-(cyclohexen-1-yl)-1-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-morpholin-4-ylethenyl]-N-(ethoxycarbonylamino)carbamate","","CCOC(=O)NN(C(=C(C1=CCCCC1)N2CCOCC2)N(C(=O)OCC)NC(=O)OCC)C(=O)OCC","HREDGXZQPPTSPU-UHFFFAOYSA-N","379769",NA,"PDBC36402","664743","Present"
-"Ethyl N-[2-[(ethoxycarbonylamino)carbamoylamino]ethylcarbamoylamino]carbamate","","","","","","","","","","","","","","","","","","","","diethyl 4,9-dioxo-2,3,5,8,10,11-hexaazadodecane-1,12-dioate","","CCOC(=O)NNC(=O)NCCNC(=O)NNC(=O)OCC","JZJLOUGLJASFCL-UHFFFAOYSA-N","392329",NA,"PDBC36403","692605","Present"
-"Ethyl N-[2-[6-(2,3-dimethoxyphenyl)-5-oxocyclohex-3-en-1-yl]ethyl]-N-methylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[2-[6-(2,3-dimethoxyphenyl)-5-oxocyclohex-3-en-1-yl]ethyl]-N-methylcarbamate","","CCOC(=O)N(C)CCC1CC=CC(=O)C1C2=C(C(=CC=C2)OC)OC","AJAAQOHUYRMIAX-UHFFFAOYSA-N","398844",NA,"PDBC36404","708981","Present"
-"Ethyl N-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl 3-(cyanomethyl)-5-methyl-4H-1,2,4-triazol-4-ylcarbamate","","CCOC(=O)NN1C(=NN=C1CC#N)C","LCUMCLBODWSNGD-UHFFFAOYSA-N","386453",NA,"PDBC36405","678482","Present"
-"Ethyl N-[3-benzyl-5-(cyanomethyl)-1,2,4-triazol-4-yl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl 3-benzyl-5-(cyanomethyl)-4H-1,2,4-triazol-4-ylcarbamate","","CCOC(=O)NN1C(=NN=C1CC2=CC=CC=C2)CC#N","CPKVAVZHZRXPQV-UHFFFAOYSA-N","386454",NA,"PDBC36406","678483","Present"
-"Ethyl N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]carbamate","","CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2C=NN=C2","WLJKCPIOUKNTGL-UHFFFAOYSA-N","404503",NA,"PDBC36407","720740","Present"
-"Ethyl N-[4-(10-methyl-3-phenyl-4H-indolo[3,2,3]triazolo [1,5-a]pyrimidin-4-yl)butanoyl]glycinate","","","","","","","","","","","","","","","","","","","","Ethyl N-[4-(10-methyl-3-phenyl-4H-indolo[3,2-e][1,2,3]tr...","","CCOC(=O)CNC(=O)CCCN1C2=C(N=NN2C3=C(C1=O)C4=CC=CC=C4N3C)C5=CC=CC=C5","WRRZPXGZABTAFS-UHFFFAOYSA-N","24205302",NA,"PDBC36408","734977","Present"
-"Ethyl N-[4-(6-trifluoromethylquinoxalin-2-yl)aminobenzoyl]-N'-pipe ridyl-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl N-[4-(6-trifluoromethylquinoxalin-2-yl)aminobenzoy...","","CCOC(=O)C1CCCCN1C(=O)C2=CC=C(C=C2)NC3=CN=C4C=C(C=CC4=N3)C(F)(F)F","PUQFMDQADADNJP-UHFFFAOYSA-N","406627",NA,"PDBC36409","724867","Present"
-"Ethyl N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]carbamate","","CCOC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2","VOVUAZLJXBOTCE-MDWZMJQESA-N","5774635",NA,"PDBC36410","31703","Present"
-"Ethyl N-[4-[(ethoxycarbonylamino)carbamoylamino]butylcarbamoylamino]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[4-[(ethoxycarbonylamino)carbamoylamino]butylcarbamoylamino]carbamate","","CCOC(=O)NNC(=O)NCCCCNC(=O)NNC(=O)OCC","OFLOHRWYAIBYGR-UHFFFAOYSA-N","392327",NA,"PDBC36411","692603","Present"
-"Ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate","","CCOC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3N=C2CCCCCCC4=NC5=CC=CC=C5C6=C4C=C(C=C6)NC(=O)OCC","CADACECZEDSKRC-UHFFFAOYSA-N","381651",NA,"PDBC36412","668470","Present"
-"Ethyl N-[[2-[[(ethoxycarbonylamino)carbamoylamino]methyl]phenyl]methylcarbamoylamino]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[[2-[[(ethoxycarbonylamino)carbamoylamino]methyl]phenyl]methylcarbamoylamino]carbamate","","CCOC(=O)NNC(=O)NCC1=CC=CC=C1CNC(=O)NNC(=O)OCC","ALFMMEVYGSEKEF-UHFFFAOYSA-N","392315",NA,"PDBC36413","692591","Present"
-"Ethyl N-[[3-[[(ethoxycarbonylamino)carbamoylamino]methyl]phenyl]methylcarbamoylamino]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[[3-[[(ethoxycarbonylamino)carbamoylamino]methyl]phenyl]methylcarbamoylamino]carbamate","","CCOC(=O)NNC(=O)NCC1=CC(=CC=C1)CNC(=O)NNC(=O)OCC","KRWARUVXLIYIAC-UHFFFAOYSA-N","392330",NA,"PDBC36414","692606","Present"
-"Ethyl N-[[ethoxy-[ethoxycarbonylcarbamothioyl(methyl)amino]phosphinothioyl]-methyl-carbamothioyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-[[ethoxy-[ethoxycarbonylcarbamothioyl(methyl)amino]phosphinothioyl]-methylcarbamothioyl]carbamate","","CCOC(=O)NC(=S)N(C)P(=S)(N(C)C(=S)NC(=O)OCC)OCC","QWSYRHDNFVYOSL-UHFFFAOYSA-N","3005249",NA,"PDBC36415","686490","Present"
-"Ethyl N-ethyl-N-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-ethyl-N-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]carbamate","","CCN(C1=C(C=C(NC1=O)C2=CC=CC=C2)C(F)(F)F)C(=O)OCC","MCMOXMOETHCJQP-UHFFFAOYSA-N","397737",NA,"PDBC36416","706160","Present"
-"Ethyl N-fluoranthen-3-ylcarbamate","","","","","","","","","","","","","","","","","","","","Ethyl fluoranthen-3-ylcarbamate","","CCOC(=O)NC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43","GJAJDMJVIYHOBG-UHFFFAOYSA-N","256431",NA,"PDBC36417","83300","Present"
-"Ethyl N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]carbamate","","CCOC(=O)N(C1=CC=C(C=C1)C=CC2=CC=CC=C2)O","BRVVBAZNCCXLPO-CMDGGOBGSA-N","6304618",NA,"PDBC36418","112960","Present"
-"Ethyl S-[chloro(dimethyl)stannyl]cysteinate","","","","","","","","","","","","","","","","","","","","L-Cysteine, S-(chlorodimethylstannyl)-, ethyl ester","","CCOC(=O)C(CS[Sn](C)(C)Cl)N","NXHPXLRXSGCGLY-UHFFFAOYSA-L","332556",NA,"PDBC36419","329881","Present"
-"Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate","","","","","","","","","","","","","","","","","","","","STK003319","","CCOC(=O)C(=O)NC1=CC=CC(=C1C)C","LIWCLPVEXCUDCZ-UHFFFAOYSA-N","366797",NA,"PDBC36420","635569","Present"
-"Ethyl [(2,4-dimethylphenyl)amino](oxo)acetate","","","","","","","","","","","","","","","","","","","","HTS004581","","CCOC(=O)C(=O)NC1=C(C=C(C=C1)C)C","CLTBVQYEWKUNFO-UHFFFAOYSA-N","366463",NA,"PDBC36421","634923","Present"
-"Ethyl [(2-ethoxyphenyl)amino](oxo)acetate","","","","","","","","","","","","","","","","","","","","HTS004593","","CCOC1=CC=CC=C1NC(=O)C(=O)OCC","KYQHLNQTKJTCKZ-UHFFFAOYSA-N","366179",NA,"PDBC36422","634506","Present"
-"Ethyl [(2-ethylphenyl)amino](oxo)acetate","","","","","","","","","","","","","","","","","","","","STK092829","","CCC1=CC=CC=C1NC(=O)C(=O)OCC","YZIPUQIUGPKDOM-UHFFFAOYSA-N","366180",NA,"PDBC36423","634507","Present"
-"Ethyl [(2-methylphenyl)amino](oxo)acetate","","","","","","","","","","","","","","","","","","","","ALBB-016148","","CCOC(=O)C(=O)NC1=CC=CC=C1C","OVFYTRYWFURUJL-UHFFFAOYSA-N","366755",NA,"PDBC36424","635528","Present"
-"Ethyl [(3-chloro-2-methylphenyl)amino](oxo)acetate","","","","","","","","","","","","","","","","","","","","HTS004578","","CCOC(=O)C(=O)NC1=C(C(=CC=C1)Cl)C","JBPNCPVTNOZJMQ-UHFFFAOYSA-N","366465",NA,"PDBC36425","634925","Present"
-"Ethyl [(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] carbonate","","","","","","","","","","","","","","","","","","","","Ethyl [(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] carbonate","","CCOC(=O)ON=C1C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O","QMJLLDUREFASGX-CJLVFECKSA-N","135436297",NA,"PDBC36426","717837","Present"
-"Ethyl [3-(benzyloxy)-5-oxo-7-oxabicyclo[2.2.1]hept-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Ethyl [3-(benzyloxy)-5-oxo-7-oxabicyclo[2.2.1]hept-2-yl]carbamate","","CCOC(=O)NC1C2CC(=O)C(C1OCC3=CC=CC=C3)O2","IQQHHPWRSOVMNA-UHFFFAOYSA-N","368606",NA,"PDBC36427","639715","Present"
-"Ethyl [4-(3-hydroxy-2,4-dimethoxybenzoyl)-2,6-dimethoxyphenyl] carbonate","","","","","","","","","","","","","","","","","","","","ethyl [4-(3-hydroxy-2,4-dimethoxy-benzoyl)-2,6-dimethoxy...","","CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)C2=C(C(=C(C=C2)OC)O)OC)OC","JGAUFXFBWJQBOE-UHFFFAOYSA-N","155805381",NA,"PDBC36428","797556","Present"
-"Ethyl [5-(1H-pyrrol-1-ylmethyl)-1H-benzimidazol-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, N-[6-[(1H-pyrrol-1-yl)methyl]- 1-benzimid...","","CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)CN3C=CC=C3","XBJXAIXJEHJPKE-UHFFFAOYSA-N","368640",NA,"PDBC36429","639754","Present"
-"Ethyl alpha,gamma-diphenylacetoacetate","","","","","","","","","","","","","","","","","","","","2,4-DIPHENYLACETOACETIC ACID, ETHYL ESTER","","CCOC(=O)C(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2","GVNHSMZHSWFYMB-UHFFFAOYSA-N","95325",NA,"PDBC36430","1970","Present"
-"Ethyl benzo[f]quinoline-6-carboxylate","","","","","","","","","","","","","","","","","","","","SC-62884","","CCOC(=O)C1=CC2=C(C=CC=N2)C3=CC=CC=C31","KKIFEZVSOLDWFH-UHFFFAOYSA-N","356134",NA,"PDBC36431","611225","Present"
-"Ethyl cyano(7-hydroxy-3,4-dioxo-3,4-dihydro-1-naphthalenyl)acetate","","","","","","","","","","","","","","","","","","","","Ethyl cyano(7-hydroxy-3,4-dioxo-3,4-dihydro-1-naphthalenyl)acetate","","CCOC(=O)C(C#N)C1=CC(=O)C(=O)C2=C1C=C(C=C2)O","XAWSQDCNHMEUPJ-UHFFFAOYSA-N","356233",NA,"PDBC36432","611386","Present"
-"Ethyl gossypol","","","","","","","","","","","","","","","","","","","","Ethyl gossypol","","CCC1=C2C=C(C(=C(C2=C(C(=C1O)O)C(=O)C)O)C3=C(C4=C(C(=C(C(=C4C=C3C)CC)O)O)C(=O)C)O)C","HJXAEEAJDDNYSQ-UHFFFAOYSA-N","374353",NA,"PDBC36433","651925","Present"
-"Ethyl hydroxy(4-(3-methoxyphenyl)-1-methyl-2,5-dioxo-3-pyrrolidinylidene)acetate","","","","","","","","","","","","","","","","","","","","Ethyl hydroxy(4-(3-methoxyphenyl)-1-methyl-2,5-dioxo-3-pyrrolidinylidene)acetate","","CCOC(=O)C(=C1C(C(=O)N(C1=O)C)C2=CC(=CC=C2)OC)O","LWTSZQCUUWCQDE-OUKQBFOZSA-N","54685781",NA,"PDBC36434","626870","Present"
-"Ethyl linolenate","","","","","","","","","","","","","","","","","","","","Linolenic Acid, ethyl ester","","CCC=CCC=CCC=CCCCCCCCC(=O)OCC","JYYFMIOPGOFNPK-AGRJPVHOSA-N","5367460",NA,"PDBC36435","607760","Present"
-"Ethyl methanesulfonate","","","","","","","","","","","","","","","","","","","","half-myleran","","CCOS(=O)(=O)C","PLUBXMRUUVWRLT-UHFFFAOYSA-N","6113",NA,"PDBC36436","26805","Present"
-"Ethyl methyl phenylcarbonodithioimidate","","","","","","","","","","","","","","","","","","","","Ethyl methyl phenylcarbonodithioimidate","","CCSC(=NC1=CC=CC=C1)SC","VHHYZVXKUOICQW-UHFFFAOYSA-N","232498",NA,"PDBC36437","30056","Present"
-"Ethyl methylcarbamate","","","","","","","","","","","","","","","","","","","","n-methylurethan","","CCOC(=O)NC","SURZCVYFPAXNGN-UHFFFAOYSA-N","7752",NA,"PDBC36438","8836","Present"
-"Ethyl phenylpropiolate","","","","","","","","","","","","","","","","","","","","ethyl phenylpropiolate","","CCOC(=O)C#CC1=CC=CC=C1","ACJOYTKWHPEIHW-UHFFFAOYSA-N","91516",NA,"PDBC36439","41566","Present"
-"Ethyl red","","","","","","","","","","","","","","","","","","","","Ethyl red","","CCN1C(=CC2=CC=[N+](C3=CC=CC=C23)CC)C=CC4=CC=CC=C41.[I-]","MYKATFBGLTVMQX-UHFFFAOYSA-M","25113351",NA,"PDBC36440","5491","Present"
-"Ethyl trimethylsilyldiazoacetate","","","","","","","","","","","","","","","","","","","","UFHQFLKHMOOFIK-UHFFFAOYSA-N","","CCOC(=O)C(=[N+]=[N-])[Si](C)(C)C","UFHQFLKHMOOFIK-UHFFFAOYSA-N","359329",NA,"PDBC36441","620114","Present"
-"Ethyl vanillin","","","","","","","","","","","","","","","","","","","","vanilal","","CCOC1=C(C=CC(=C1)C=O)O","CBOQJANXLMLOSS-UHFFFAOYSA-N","8467",NA,"PDBC36442","1803","Present"
-"Ethyl violet","","","","","","","","","","","","","","","","","","","","ethyl violet","","CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.[Cl-]","JVICFMRAVNKDOE-UHFFFAOYSA-M","16955",NA,"PDBC36443","8675","Present"
-"Ethyl {[2-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-2-methylhydrazino]carbonothioyl}carbamate","","","","","","","","","","","","","","","","","","","","Ethyl {[2-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-2-methylhydrazino]carbonothioyl}carbamate","","CCOC(=O)NC(=S)NN(C)C1=NCC(S1)(C)C","JLJRKLQSICAXDV-UHFFFAOYSA-N","3005357",NA,"PDBC36444","694571","Present"
-"Ethyl, prodigisine","","","","","","","","","","","","","","","","","","","","Ethyl, methoxy, prodigisine","","CCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C.Cl","OJIDHWPRHCQMKU-WPTDRQDKSA-N","135829283",NA,"PDBC36445","742418","Present"
-"Ethyl-(1-ethyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium","","","","","","","","","","","","","","","","","","","","Ethyl-(1-ethyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium","","CC[N-]C1=NN=NN1CC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]","DUAIKJXTYBLOPL-UHFFFAOYSA-O","6333603",NA,"PDBC36446","274554","Present"
-"Ethyl-1-amino-5-{[1-methyl-5-nitro-1H-indol-2-yl) carbonyl] amino}-1H-indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Ethyl-1-amino-5-{[1-methyl-5-nitro-1H-indol-2-yl) carbon...","","CCOC(=O)C1=CC2=C(N1C)C=CC(=C2)NC(=O)C3=CC4=C(N3C)C=CC(=C4)[N+](=O)[O-]","AKIUCTJFIQCQLX-UHFFFAOYSA-N","24204472",NA,"PDBC36447","732001","Present"
-"Ethyl-1-{[{[3-(ethoxycarbonyl)-5-methyl-1H-pyrazol-1-yl]meth yl}(2-hydroxyethyl)amino]methyl}-5-methyl-1H-pyrazole-3-carb oxylate","","","","","","","","","","","","","","","","","","","","ethyl-1-{[{[3-(ethoxycarbonyl)-5-methyl-1H-pyrazol-1-yl]...","","CCOC(=O)C1=NN(C(=C1)C)CN(CCO)CN2C(=CC(=N2)C(=O)OCC)C","WKXVJLYMWZRXIF-UHFFFAOYSA-N","404570",NA,"PDBC36448","720866","Present"
-"Ethyl-3-methoxy-4-hydroxy-alpha-benzoylcinnamate","","","","","","","","","","","","","","","","","","","","Ethyl-3-methoxy-4-hydroxy-.alpha.-benzoylcinnamate","","CCOC(=O)C(=CC1=CC(=C(C=C1)O)OC)C(=O)C2=CC=CC=C2","SBZMQKDOZQTPFA-PTNGSMBKSA-N","5935779",NA,"PDBC36449","643184","Present"
-"Ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium;iodide","","","","","","","","","","","","","","","","","","","","Ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium;iodide","","CC[N+](CCCCCCCCCC[N+](CC)(C1=CC=CC=N1)C2=CC=CC=N2)(C3=CC=CC=N3)C4=CC=CC=N4.[I-]","VZSPHRCKCNAPEQ-UHFFFAOYSA-M","24185840",NA,"PDBC36450","43684","Present"
-"Ethyl-alpha-benzoyl-3-methoxy-4-benzyloxylcinnamate","","","","","","","","","","","","","","","","","","","","Ethyl-.alpha.-benzoyl-3-methoxy-4-benzyloxylcinnamate","","CCOC(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C3=CC=CC=C3","PQDGUFGMFCIZFM-JWGURIENSA-N","5922969",NA,"PDBC36451","643189","Present"
-"Ethyl-cysteine","","","","","","","","","","","","","","","","","","","","L-Cysteine, S-ethyl- (9CI)","","CCSCC(C(=O)O)N","ULXKXLZEOGLCRJ-UHFFFAOYSA-N","30993",NA,"PDBC36452","49244","Present"
-"Ethyl-dimethyl-phenylphosphanium;bromide","","","","","","","","","","","","","","","","","","","","Ethyl-dimethyl-phenylphosphanium;bromide","","CC[P+](C)(C)C1=CC=CC=C1.[Br-]","ARLQFHZNKGFAGK-UHFFFAOYSA-M","357577",NA,"PDBC36453","617057","Present"
-"Ethyl-diphenyl-(2-phenylethynyl)phosphanium;iodide","","","","","","","","","","","","","","","","","","","","Phosphonium, ethyldiphenyl(phenylethynyl)-, iodide","","CC[P+](C#CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]","CNTKWJITYHAAQG-UHFFFAOYSA-M","386463",NA,"PDBC36454","678492","Present"
-"Ethylenediaminetetraacetic acid bis-(5-amino salicylic acid methyl ester)","","","","","","","","","","","","","","","","","","","","Ethylenediaminetetraacetic acid bis-(5-amino salicylic a...","","COC(=O)C1=C(C=CC(=C1)NC(=O)CN(CCN(CC(=O)NC2=CC(=C(C=C2)O)C(=O)OC)CC(=O)O)CC(=O)O)O","RZYSTUVAIIZHPV-UHFFFAOYSA-N","10077122",NA,"PDBC36455","742629","Present"
-"Ethylenediisothiouronium dibromide","","","","","","","","","","","","","","","","","","","","NSC25561","","C(CSC(=N)N)SC(=N)N.Br","OORKAVOFOSBTAT-UHFFFAOYSA-N","12662870",NA,"PDBC36456","25561","Present"
-"Ethylenimine quinone","","","","","","","","","","","","","","","","","","","","chinon","","C1CN1C2=CC(=O)C(=CC2=O)N3CC3","RCWJMKCTHJPXJV-UHFFFAOYSA-N","95715",NA,"PDBC36457","30706","Present"
-"Ethylester prodigiosine","","","","","","","","","","","","","","","","","","","","ethylester prodigiosine","","CCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C.Cl","DZGCLXNHZPGYSR-LFMIJCLESA-N","135540850",NA,"PDBC36458","742420","Present"
-"Ethylmethyloctadecylsulfonium iodide","","","","","","","","","","","","","","","","","","","","(Ethylmethyl)octadecylsulfonium iodide","","CCCCCCCCCCCCCCCCCC[S+](C)CC.[I-]","FWCAEZMYKRVMPH-UHFFFAOYSA-M","207332",NA,"PDBC36459","97372","Present"
-"Ethylparaben","","","","","","","","","","","","","","","","","","","","sobrol a","","CCOC(=O)C1=CC=C(C=C1)O","NUVBSKCKDOMJSU-UHFFFAOYSA-N","8434",NA,"PDBC36460","8510","Present"
-"Ethylpropionatethio isosampangine","","","","","","","","","","","","","","","","","","","","Ethylpropionatethio isosampangine","","CCOC(=O)CCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","MWELEOLPOPGYPR-UHFFFAOYSA-N","46854322",NA,"PDBC36461","723389","Present"
-"Etibendazole","","","","","","","","","","","","","","","","","","","","etibendazole","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(OCCO3)C4=CC=C(C=C4)F","PEVOWKBJMJVUSV-UHFFFAOYSA-N","71745",NA,"PDBC36462","313432","Present"
-"Etilamfetamine hydrochloride","","","","","","","","","","","","","","","","","","","","Phenethylamine, N-ethyl-.alpha.-methyl-, hydrochloride","","CCNC(C)CC1=CC=CC=C1.Cl","HFBTZBOJTFIRAS-UHFFFAOYSA-N","197941",NA,"PDBC36463","54938","Present"
-"Etoprine","","","","","","","","","","","","","","","","","","","","Etoprine","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl","PXLPCZJACKUXGP-UHFFFAOYSA-N","29142",NA,"PDBC36464","3062","Present"
-"Etymemazine hydrochloride","","","","","","","","","","","","","","","","","","","","etymemazine hydrochloride","","CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)CN(C)C.Cl","ZVSKDFRXWJPINY-UHFFFAOYSA-N","71822",NA,"PDBC36465","169471","Present"
-"Eucalyptol","","","","","","","","","","","","","","","","","","","","cineol","","CC1(C2CCC(O1)(CC2)C)C","WEEGYLXZBRQIMU-UHFFFAOYSA-N","2758",NA,"PDBC36466","6171","Present"
-"Euchrenone b10","","","","","","","","","","","","","","","","","","","","Euchrenone b10","","CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC=C(C=C4)O)CC(O2)C(C)(C)O)C","KQLMUJOKBRYEHR-UHFFFAOYSA-N","402594",NA,"PDBC36467","716724","Present"
-"Euchrestine C","","","","","","","","","","","","","","","","","","","","Euchrestine C","","CC1=CC2=C(C=C1O)NC3=C2C=CC(=C3CC=C(C)CCC=C(C)C)O","DLDHCDKBXVNGMC-OVCLIPMQSA-N","5467515",NA,"PDBC36468","654287","Present"
-"Euchrestine D","","","","","","","","","","","","","","","","","","","","Euchrestine D","","CC1=CC2=C(C(=C1O)CC=C(C)CCC=C(C)C)NC3=C2C=CC(=C3)O","SALFRFIYEMQASK-OVCLIPMQSA-N","5467514",NA,"PDBC36469","654281","Present"
-"Eudistomin H","","","","","","","","","","","","","","","","","","","","Eudistomin H","","C1CC(=NC1)C2=NC=CC3=C2NC4=C3C=C(C=C4)Br","BJVWSKGRRKQZGZ-UHFFFAOYSA-N","145929",NA,"PDBC36470","622807","Present"
-"Eunicin","","","","","","","","","","","","","","","","","","","","Eunicin","","CC1CCCC(=CCCC(C2CC3C(C1O2)OC(=O)C3=C)(C)O)C","RFCBIORAGZWLAM-WQLSENKSSA-N","5358827",NA,"PDBC36471","282752","Present"
-"Eunicin-alkene","","","","","","","","","","","","","","","","","","","","Eunicin-alkene","","CC=C1C2CC3C(CCC=C(CCCC(C(C2OC1=O)O3)C)C)(C)O","XTONXHQLOHQXBT-VAVFTYMPSA-N","24204115",NA,"PDBC36472","730665","Present"
-"Eunicin-cyclo","","","","","","","","","","","","","","","","","","","","Eunicin-cyclo","","CC1CCCC(=CCCC(C2CC3C(C1O2)OC(=O)C34CC4)(C)O)C","YXLAWQUFWHSHLQ-KKXFEYRMSA-N","24204113",NA,"PDBC36473","730662","Present"
-"Eunicin-cyclobilactone","","","","","","","","","","","","","","","","","","","","Eunicin-cyclobilactone","","CC(CCCC(=O)C)C1C2C(CC(O1)C3(CCC(=O)O3)C)C4(CC4)C(=O)O2","WBUQWMFAJPNMJE-DEYCRONHSA-N","9976935",NA,"PDBC36474","730664","Present"
-"Euophyllum Lactone B","","","","","","","","","","","","","","","","","","","","eriolanin","","CC(CCCO)C1=C(CC2C(C1OC(=O)C(=C)C)C(=C)C(=O)O2)CO","IIFHSDMQQLTWKZ-UHFFFAOYSA-N","422454",NA,"PDBC36475","144152","Present"
-"Eupachlorin","","","","","","","","","","","","","","","","","","","","Eupachlorin///Eupachlorin acetate","","CC=C(C)C(=O)OC1CC(C2C(C=C(C2(C3C1C(=C)C(=O)O3)O)C)O)(CCl)O","VCAKAFVZYNRGKS-WBNZXOOCSA-N","5281446",NA,"PDBC36476","114567///114568","Present"
-"Eupachloroxin","","","","","","","","","","","","","","","","","","","","Eupachloroxin","","CC=C(C)C(=O)OC1CC(C2C(C3C(C2(C4C1C(=C)C(=O)O4)O)(O3)C)O)(CCl)O","ZKXZLEVGQXDZEP-VMPITWQZSA-N","5917065",NA,"PDBC36477","114570","Present"
-"Eupacunin","","","","","","","","","","","","","","","","","","","","Eupacunin","","CC=C(C)C(=O)OC1C=C(C(CC(C(=CC2C1C(=C)C(=O)O2)C)OC(=O)C)O)C","LVPCBECJXWCROK-PFVBFNHDSA-N","5458269",NA,"PDBC36478","135020","Present"
-"Eupacunoxin","","","","","","","","","","","","","","","","","","","","Eupacunoxin","","C.C.CC1C(O1)(C)C(=O)OC2C=C(C(CC(C(=CC3C2C(=C)C(=O)O3)C)OC(=O)C)O)C","CEFLSWYJXGKOGM-HTACVAHMSA-N","54610340",NA,"PDBC36479","135021","Present"
-"Eupalin","","","","","","","","","","","","","","","","","","","","Eupalin","","CC1C(C(C(C(O1)OC2=C(OC3=CC(=C(C(=C3C2=O)O)OC)OC)C4=CC=C(C=C4)O)O)O)O","CXVSHWFUBVZVSW-UHFFFAOYSA-N","5352020",NA,"PDBC36480","134057","Present"
-"Eupalmerin acetate","","","","","","","","","","","","","","","","","","","","Eupalmerin acetate","","CC1CCCC(=CCCC2(C(O2)CC3C(C1OC(=O)C)OC(=O)C3=C)C)C","KSMMWIWWLQEPOL-OFHJXLIGSA-N","5459169",NA,"PDBC36481","637469","Present"
-"Euparotin","","","","","","","","","","","","","","","","","","","","Euparotin///Euparotin acetate","","CC=C(C)C(=O)OC1CC2(CO2)C3C(C=C(C3(C4C1C(=C)C(=O)O4)O)C)O","ADBOAFOIAMBXJT-WBNZXOOCSA-N","5281455",NA,"PDBC36482","104942///104943","Present"
-"Eupatalbolide","","","","","","","","","","","","","","","","","","","","Eupatalbolide","","CC12CCCC3(C1CC(C45C3(CCC(C4)C(C5)(C)O)C)O)OC2=O","LKNWRNYPVAXRTM-UHFFFAOYSA-N","432738",NA,"PDBC36483","314028","Present"
-"Eupatocunin","","","","","","","","","","","","","","","","","","","","Eupatocunin","","CC=C(C)C(=O)OC1C2C(C=C(C(CC=C(C1O)C)OC(=O)C)C)OC(=O)C2=C","JWMHJIFDEKQJQY-YSOMVIGGSA-N","5382252",NA,"PDBC36484","135025","Present"
-"Eupatocunoxin","","","","","","","","","","","","","","","","","","","","Eupatocunoxin","","CC1C(O1)(C)C(=O)OC2C(C3C(C=C(C(CC=C2C)OC(=O)C)C)OC(=O)C3=C)O","UZTYOOVAPGOQDZ-BDFJVSTISA-N","5382250",NA,"PDBC36485","135022","Present"
-"Eupatundin","","","","","","","","","","","","","","","","","","","","Eupatundin","","CC=C(C)C(=O)OC1CC(=C)C2C(C3C(C2(C4C1C(=C)C(=O)O4)O)(O3)C)O","NFHWFFQENCGSQZ-VAGPNBDPSA-N","5281464",NA,"PDBC36486","114566","Present"
-"Eupenifeldin","","","","","","","","","","","","","","","","","","","","Eupenifeldin","","CC1=C2CC3CC(C4(C(CC5=C(C=C(C(=O)C=C5O4)O)C)CC(C=CCC3(OC2=CC(=O)C(=C1)O)C)(C)C)C)O","BWTQHPFSWXJOGP-YLLNCWMYSA-N","137226332",NA,"PDBC36487","782350","Present"
-"Euphorbia substance SPr5","","","","","","","","","","","","","","","","","","","","Euphorbia substance SPr5","","CCC(=O)OC1C(CC2(C1C(C34COC(C3C5C(CC5(C)OC(=O)C)C(C4=O)OC(=O)C6=CC=CC=C6)(C2OC(=O)C)C)OC(=O)C)OC(=O)C)C","HVQVEQMVCYOICQ-YDTMFVMDSA-N","5459191",NA,"PDBC36488","640929","Present"
-"Euplexide B","","","","","","","","","","","","","","","","","","","","Euplexide B","","CC1=CC(=C(C=C1O)CC=C(C)CCC=C(C)CC(C=C(C)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)O","GLIWVCWHDRRQTC-ZYQOULKWSA-N","5471618",NA,"PDBC36489","712182","Present"
-"Euplexide D","","","","","","","","","","","","","","","","","","","","Euplexide D","","CC1=CC(=C(C=C1O)CC=C(C)CCC=C(C)CC(=O)CC(C)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)O","NDOBUHYJZUGCSU-OMTKTPHQSA-N","5471619",NA,"PDBC36490","712183","Present"
-"Eurecurvin","","","","","","","","","","","","","","","","","","","","NSC292663///NSC299545","","CCC(C)C(=O)OC1C=C(C(CC(C(=CC2C1C(=C)C(=O)O2)CO)OC(=O)C)O)C","YZCAXCLLBWHFLS-KJZHCDIESA-N","5477103",NA,"PDBC36491","292663///299545","Present"
-"Europine","","","","","","","","","","","","","","","","","","","","Europine","","CC(C(C(=O)OCC1=CCN2C1C(CC2)O)(C(C)(C)O)O)OC","ZNEMYFCJOCCUJN-UHFFFAOYSA-N","98222",NA,"PDBC36492","89939","Present"
-"Euryopsonol","","","","","","","","","","","","","","","","","","","","Euryopsonol","","CC1C(CCC2C1(CC3=C(C2)OC=C3C)C)O","UIWPDJPOLFTUJI-UHFFFAOYSA-N","270650",NA,"PDBC36493","113234","Present"
-"Euserotin","","","","","","","","","","","","","","","","","","","","Euserotin","","CCC(=CC(=O)OC1CC(=CCCC(=CC2C1C(=C)C(=O)O2)C(=O)O)C)C","ILNNCSSDKBHGFO-SAQOPMLXSA-N","54602158",NA,"PDBC36494","311046","Present"
-"Evans blue free acid","","","","","","","","","","","","","","","","","","","","C.I. Direct Blue 53 (free acid)","","CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O","COXVTLYNGOIATD-UHFFFAOYSA-N","3315",NA,"PDBC36495","65849","Present"
-"Eveninomicin B sodium salt","","","","","","","","","","","","","","","","","","","","Eveninomicin B sodium salt","","CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(C(C4(O3)C)O)OC5C(C(OC(C5OC)C)OC6C(OC(C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(CO9)(C(C)OC)O)OCO1)OC)COC)O)C)C)OC1CC(C(C(O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C","ZFRCWSCZDCAGAJ-UHFFFAOYSA-N","198291",NA,"PDBC36496","237674","Present"
-"Evobrutinib","","","","","","","","","","","","","","","","","","","","Evobrutinib","","C=CC(=O)N1CCC(CC1)CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N","QUIWHXQETADMGN-UHFFFAOYSA-N","71479709",NA,"PDBC36497","800892","Present"
-"Evodia fruit","","","","","","","","","","","","","","","","","","","","Limonin","","CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C","KBDSLGBFQAGHBE-UHFFFAOYSA-N","235284",NA,"PDBC36498","36508","Present"
-"Evoxine","","","","","","","","","","","","","","","","","","","","Evoxine","","CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O","FGANMDNHTVJAHL-UHFFFAOYSA-N","73416",NA,"PDBC36499","94653","Present"
-"Excisanin B","","","","","","","","","","","","","","","","","","","","Excisanin B","","CC(=O)OC1CC2C3(C(CCC(C3CC(C24C(C1C(=C)C4=O)O)O)(C)C)O)C","VAAUVQKKXHANPM-SASCPTOWSA-N","367618",NA,"PDBC36500","637460","Present"
-"Exo-Spiro[8,1'-cyclohex-2-en-4-one]","","","","","","","","","","","","","","","","","","","","exo-Spiro[8,8-dimethylbicyclo[3.2.1]octan-2-one-3,1'-cyc...","","CC1(C2CCC1C(=O)C3(C2)CCC(=O)C=C3)C","SGDVJUNELXGLNJ-MBRGGSNBSA-N","6712172",NA,"PDBC36501","657839","Present"
-"Exotoxin","","","","","","","","","","","","","","","","","","","","exotoxin","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COC4C(OC(C(C4O)O)OC(C(C(C(C(=O)O)O)OP(=O)(O)O)O)C(=O)O)CO)O)O)N","OTLLEIBWKHEHGU-UHFFFAOYSA-N","304586",NA,"PDBC36502","197177","Present"
-"Experimental drug: 30 ml cytotoxic Se(O)-protein conjuga...","","","","","","","","","","","","","","","","","","","","Experimental drug: 30 ml cytotoxic Se(O)-protein conjuga...","","","","",NA,"PDBC36503","734175","Present"
-"Extract from leaves of Efinrin plant","","","","","","","","","","","","","","","","","","","","Extract from leaves of Efinrin plant","","COC1=C(C=CC(=C1)C=C2C3C4(C=CC5C4C(O3)OC=C5C(=O)OC)OC2=O)O","TXGZCLZZWWAVDP-KPKJPENVSA-N","5467556",NA,"PDBC36504","655756","Present"
-"Extracted from bacteria","","","","","","","","","","","","","","","","","","","","Extracted from bacteria","","CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C=CCC(C)(C)OC","VAZQBTJCYODOSV-IAJTWSNCSA-N","5388232",NA,"PDBC36505","633983","Present"
-"Ezatiostat","","","","","","","","","","","","","","","","","","","","Ezatiostat","","CCOC(=O)C(CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)OCC)N","GWEJFLVSOGNLSS-WPFOTENUSA-N","5310939",NA,"PDBC36506","758484","Present"
-"F0012-0183","","","","","","","","","","","","","","","","","","","","F0012-0183","","CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","IBUOLCIWYBGWAI-UHFFFAOYSA-N","395235",NA,"PDBC36507","699710","Present"
-"F0547-0312","","","","","","","","","","","","","","","","","","","","F0547-0312","","CC(C)(C)N1CN(C(=S)SC1)CC2=CC=CO2","ZWCGEVMKYKXCAS-UHFFFAOYSA-N","399774",NA,"PDBC36508","710869","Present"
-"F0675-0117","","","","","","","","","","","","","","","","","","","","F0675-0117","","C1CN(C2=CC=CC=C21)C(=O)C(=O)C3=CNC4=CC=CC=C43","CFUYGGPBOBIHRG-UHFFFAOYSA-N","378607",NA,"PDBC36509","661247","Present"
-"F0803-0097","","","","","","","","","","","","","","","","","","","","F0803-0097","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN4C5=CC=CC=C5SC4=N3)O","KBGBYBXZSALCJS-UHFFFAOYSA-N","5470407",NA,"PDBC36510","701104","Present"
-"F0849-0955","","","","","","","","","","","","","","","","","","","","F0849-0955","","COC1=CC2=C(C=C1)OC(=NC3=CC=C(C=C3)F)C(=C2)C(=O)N","LJYSQSCYYWFTBX-UHFFFAOYSA-N","397117",NA,"PDBC36511","704430","Present"
-"F0856-0293","","","","","","","","","","","","","","","","","","","","F0856-0293","","CC1=CC=C(C=C1)C2=CSC(=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)N2CCO","OSRAYUCUVISSRO-UHFFFAOYSA-N","396123",NA,"PDBC36512","701668","Present"
-"F1032-0080","","","","","","","","","","","","","","","","","","","","F1032-0080","","C1CCN(C1)CC(COC2=C(C=C(C=C2)Cl)Cl)O","NHGWYVBPZSKTKV-UHFFFAOYSA-N","259462",NA,"PDBC36513","89419","Present"
-"F1177-0076","","","","","","","","","","","","","","","","","","","","F1177-0076","","COC1=CC=C(C=C1)C2=CC(N3C(=NC=N3)N2)C4=CC(=C(C(=C4)OC)OC)OC","JHGXNMUULUHVKO-UHFFFAOYSA-N","3538133",NA,"PDBC36514","790090","Present"
-"F1727-0102","","","","","","","","","","","","","","","","","","","","F1727-0102","","CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5=CC=C(C=C5)F)C#N","BQKJBAPBSRNLCQ-UHFFFAOYSA-N","380603",NA,"PDBC36515","666278","Present"
-"F1862-0079","","","","","","","","","","","","","","","","","","","","F1862-0079","","COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC(=C(C=C3)OC)OC","XJMBKKMQJONPPZ-UHFFFAOYSA-N","388104",NA,"PDBC36516","682567","Present"
-"F1907-1599","","","","","","","","","","","","","","","","","","","","F1907-1599","","C1CCC2=NC3=C(C=C(C=C3)N)C(=O)N2CC1","FUPXCYFCYPDSKZ-UHFFFAOYSA-N","380987",NA,"PDBC36517","666866","Present"
-"F1967-3306","","","","","","","","","","","","","","","","","","","","F1967-3306","","C1=CN=CC=C1CNC2=CC(=O)NC(=O)N2","SEHGRTLSCYUHFA-UHFFFAOYSA-N","388643",NA,"PDBC36518","683655","Present"
-"F2147-3080","","","","","","","","","","","","","","","","","","","","F2147-3080","","C1CC(=O)NC2=C(C1=O)SC=C2","JQIAMULIXYHWGW-UHFFFAOYSA-N","369400",NA,"PDBC36519","641165","Present"
-"F2503-0151","","","","","","","","","","","","","","","","","","","","F2503-0151","","C1=CC(=CC=C1C(=O)CSC2=NC3=C(C=NN3)C(=O)N2)Cl","NAHCYCAECAHCNA-UHFFFAOYSA-N","135409221",NA,"PDBC36520","669947","Present"
-"F2792-0270","","","","","","","","","","","","","","","","","","","","F2792-0270","","CCNC1=C2C(=NC=N1)N(N=N2)CC","NDVNHAJMXQWLSL-UHFFFAOYSA-N","237113",NA,"PDBC36521","40367","Present"
-"F3095-2001","","","","","","","","","","","","","","","","","","","","F3095-2001","","CC1=CC(=O)NC(=N1)NN=C(C)C(=O)O","WRWMCDGJBXKZQH-WZUFQYTHSA-N","135485441",NA,"PDBC36522","84251","Present"
-"F3097-1842","","","","","","","","","","","","","","","","","","","","F3097-1842","","C1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)Cl)Cl)C(F)(F)F","MALRBSBLPCUSNT-UHFFFAOYSA-N","360305",NA,"PDBC36523","622340","Present"
-"F3223-0004","","","","","","","","","","","","","","","","","","","","F3223-0004","","CC1=NC2=CC=CC=C2N1CC3=NN=C(O3)C4=CC=CC=C4","ZYLSQRWTESQSDA-UHFFFAOYSA-N","396632",NA,"PDBC36524","703131","Present"
-"F3324-0165","","","","","","","","","","","","","","","","","","","","F3324-0165","","C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]","RNRHUITXNUBAQW-UHFFFAOYSA-N","3124581",NA,"PDBC36525","645850","Present"
-"F3366-5778","","","","","","","","","","","","","","","","","","","","F3366-5778","","CC1CC(=O)NC2=CC=CC=C2N1C(=O)C3CC3","RTSIQJJFQYKWGG-UHFFFAOYSA-N","377487",NA,"PDBC36526","658955","Present"
-"F387C","","","","","","","","","","","","","","","","","","","F387C","","","","","",NA,"PDBC36527","","Absent"
-"F4","","","","","","","","","","","","","","","","","","","F4","","","C1=CC(=CC=C1C2=C(C(=O)N(C(=C2C#N)N)C3=NC4=C(S3)C=C(C=C4)F)C#N)Cl","GSZWORSDTAWGSH-UHFFFAOYSA-N","139205176",NA,"PDBC36528","","Absent"
-"F6548-0495","","","","","","","","","","","","","","","","","","","","F6548-0495","","CC1=CC2=C(C=C1C)N=C(C(=O)N2)CCC(=O)O","ZVYRHSRZFWTQII-UHFFFAOYSA-N","369805",NA,"PDBC36529","641998","Present"
-"F919POH697","","","","","","","","","","","","","","","","","","","","F919POH697","","C=C1CC2(C3=CC=CC=C3CCC4=CC=CC=C42)OC1=O","GHIMMECAKCIHTG-UHFFFAOYSA-N","179617",NA,"PDBC36530","637827","Present"
-"F9J53MVN3M","","","","","","","","","","","","","","","","","","","","F9J53MVN3M","","COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)O","KSAJVJYHNOORPX-UHFFFAOYSA-N","265724",NA,"PDBC36531","102057","Present"
-"FAGARONINE, O-METHYL","","","","","","","","","","","","","","","","","","","","FAGARONINE, O-METHYL","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.[Cl-]","STJJMCOJNXLYFW-UHFFFAOYSA-M","124193",NA,"PDBC36532","168201","Present"
-"FALACONITINE","","","","","","","","","","","","","","","","","","","","FALACONITINE","","CCN1CC2(C(CC(C34C2C(C(C31)C5=CC(C6(CC4C5C6OC(=O)C7=CC(=C(C=C7)OC)OC)O)OC)OC)OC)O)COC","AWCSAXLOUNZFKK-UHFFFAOYSA-N","431678",NA,"PDBC36533","295662","Present"
-"FBFPLFGAIISYPJ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","FBFPLFGAIISYPJ-UHFFFAOYSA-N","","B1(OCC(O1)C2C3C(COB(O3)C4=CC=CC=C4)OB(O2)C5=CC=CC=C5)C6=CC=CC=C6","FBFPLFGAIISYPJ-UHFFFAOYSA-N","241147",NA,"PDBC36534","48283","Present"
-"FC01e","","","","","","","","","","","","","","","","","","","","FC01e","","CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(CO)N)C","COSICWYFCAPPJB-QMMMGPOBSA-N","121492227",NA,"PDBC36535","783224","Present"
-"FC101a","","","","","","","","","","","","","","","","","","","","FC101a","","CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(CO)N)C","COSICWYFCAPPJB-MRVPVSSYSA-N","363059",NA,"PDBC36536","783223","Present"
-"FC1=CC=C(C=C1)S(=O)(=O)NC1=C(C(=CC=C1\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC)O","","","","","","","","","","","","","","","","","","","","(Z)-4-fluoro-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxys...","","COC1=C(C(=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NS(=O)(=O)C3=CC=C(C=C3)F)O","JSGQLTBBLBMZMK-WAYWQWQTSA-N","132113981",NA,"PDBC36537","780183","Present"
-"FCH2713544","","","","","","","","","","","","","","","","","","","","FCH2713544","","CC(C(=O)N(C)OC)NC(=O)OCC1=CC=CC=C1","JJWLCBIYQXRMNO-UHFFFAOYSA-N","375610",NA,"PDBC36538","655432","Present"
-"FCH829204","","","","","","","","","","","","","","","","","","","","FCH829204","","CC1=CC=CC=C1N=CN(C)C","VTJDEAHIKIEJET-UHFFFAOYSA-N","25123",NA,"PDBC36539","665679","Present"
-"FCH830880","","","","","","","","","","","","","","","","","","","","FCH830880","","C1=CC(=CN=C1)CNC2=NC=NN2","WKJQXLYKOGTVRQ-UHFFFAOYSA-N","294856",NA,"PDBC36540","163938","Present"
-"FD-0231","","","","","","","","","","","","","","","","","","","","FD-0231","","CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)O","ZQIPILTVJGFFID-UHFFFAOYSA-N","375632",NA,"PDBC36541","655454","Present"
-"FDEMHNHVCKTOKD-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","FDEMHNHVCKTOKD-UHFFFAOYSA-N","","CCOC(=O)C(C(F)(F)F)(NCC1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2","FDEMHNHVCKTOKD-UHFFFAOYSA-N","389132",NA,"PDBC36542","684817","Present"
-"FEN1-IN-1","","","","","","","","","","","","","","","","","","","","FEN1-IN-1","","C1C(OC2=CC=CC=C2O1)CN3C4=C(C(=O)N(C3=O)O)SC=C4","MXQGCMQXTPTJJT-UHFFFAOYSA-N","11652865",NA,"PDBC36543","825255","Present"
-"FI-3","","","","","","","","","","","","","","","","","","","","FI-3","","CC1C(CC2C1C3C(C2)C4CC=CC(=O)NCCCC5C(=O)C(=C(C=CC4CC3=O)O)C(=O)N5)C=C","LHAPWXCQRKSNOH-ZZUDIIJMSA-N","101515036",NA,"PDBC36544","762045","Present"
-"FJLHCTMEPFHZJN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","FJLHCTMEPFHZJN-UHFFFAOYSA-N","","COC1=C(C(=C(C(=C1)C=O)C2=CC3=C(C=C2C=O)OCO3)OC)OC","FJLHCTMEPFHZJN-UHFFFAOYSA-N","372641",NA,"PDBC36545","648095","Present"
-"FKCVSPIAXVCSDP-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","FKCVSPIAXVCSDP-UHFFFAOYSA-N","","C1=CC(=CC=C1C2C3=C(NC(=O)NC3=O)OC4=C2C(=O)NC(=O)N4)[N+](=O)[O-]","FKCVSPIAXVCSDP-UHFFFAOYSA-N","397540",NA,"PDBC36546","705848","Present"
-"FLAVONE, 3-HYDROXY-4'-METHOXY-6-METHYL-","","","","","","","","","","","","","","","","","","","","FLAVONE, 3-HYDROXY-4'-METHOXY-6-METHYL-","","CC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)OC","XBEINZKGCYZUQJ-UHFFFAOYSA-N","227443",NA,"PDBC36547","19024","Present"
-"FLPMPZQQJFMRBL-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","FLPMPZQQJFMRBL-UHFFFAOYSA-N","","CCC(=O)N1C(=O)N(C(=O)N1C(=O)CC)C2=CC=C(C=C2)[N+](=O)[O-]","FLPMPZQQJFMRBL-UHFFFAOYSA-N","388176",NA,"PDBC36548","682741","Present"
-"FN-439","","","","","","","","","","","","","","","","","","","","FN-439","","CC(C(=O)NO)NC(=O)C(C(C)(C)C)NC(=O)C1CCCN1C(=O)CNC(=O)C2=CC=C(C=C2)N","RLXHXKXXKBARQZ-SKDZVZGDSA-N","24203342",NA,"PDBC36549","727629","Present"
-"FOPJVMGLVYKEKU-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","FOPJVMGLVYKEKU-UHFFFAOYSA-N","","CCOC1=CC=C(C=C1)OP2(=O)NC(=CC(=O)N2)C","FOPJVMGLVYKEKU-UHFFFAOYSA-N","373121",NA,"PDBC36550","649063","Present"
-"FOQFBMQPEZZFDP-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","FOQFBMQPEZZFDP-UHFFFAOYSA-N","","C1=CC=NC(=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2","FOQFBMQPEZZFDP-UHFFFAOYSA-N","384998",NA,"PDBC36551","675825","Present"
-"FOZZBKCQELZCLH-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","FOZZBKCQELZCLH-UHFFFAOYSA-N","","C1COS(=O)(=O)C(S(=O)(=O)O1)Cl","FOZZBKCQELZCLH-UHFFFAOYSA-N","372723",NA,"PDBC36552","648306","Present"
-"FRI 1A6","","","","","","","","","","","","","","","","","","","","FRI 1A6","","","","",NA,"PDBC36553","636206","Present"
-"FRI 3B1","","","","","","","","","","","","","","","","","","","","FRI 3B1","","","","",NA,"PDBC36554","636207","Present"
-"FRI 3C3","","","","","","","","","","","","","","","","","","","","FRI 3C3","","","","",NA,"PDBC36555","636208","Present"
-"FRI A12","","","","","","","","","","","","","","","","","","","","FRI A12","","","","",NA,"PDBC36556","636203","Present"
-"FRI C4","","","","","","","","","","","","","","","","","","","","FRI C4","","","","",NA,"PDBC36557","636204","Present"
-"FRI D1","","","","","","","","","","","","","","","","","","","","FRI D1","","","","",NA,"PDBC36558","636205","Present"
-"FURFURYLAMINE, alpha-METHYL-N-(2-OXAZOLINYL)-","","","","","","","","","","","","","","","","","","","","LS-70642","","CC(C1=CC=CO1)NC2=NCCO2","MAXMHZNOZRNGOY-UHFFFAOYSA-N","45695",NA,"PDBC36559","664291","Present"
-"FUSAPROLIFERIN","","","","","","","","","","","","","","","","","","","","FUSAPROLIFERIN","","CC1CCC2C(=C(C(=O)C2(CC=C(CCC=C(CCC1O)C)C)C)O)C(C)COC(=O)C","NXAIHHHELDCRMP-HOECKACNSA-N","5468603",NA,"PDBC36560","672222","Present"
-"FW7K1H1I58","","","","","","","","","","","","","","","","","","","","FW7K1H1I58","","CN(C)CC1=CNC2=C1C(=O)NC=N2","FSNZECMQDRKXMJ-UHFFFAOYSA-N","135403632",NA,"PDBC36561","62749","Present"
-"FY95Z10L1D","","","","","","","","","","","","","","","","","","","","FY95Z10L1D","","CNC1=C2C(=NC=N1)N(N=N2)C","IYAFHGDUGDYIMK-UHFFFAOYSA-N","95868",NA,"PDBC36562","40368","Present"
-"Faaisgqqwpatsd-uhfffaoysa-","","","","","","","","","","","","","","","","","","","","2-Phenyl-6-sulfanylquinolin-4(1H)-one","","C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)S","FAAISGQQWPATSD-UHFFFAOYSA-N","377399",NA,"PDBC36563","658842","Present"
-"Fabacein","","","","","","","","","","","","","","","","","","","","Fabacein","","CC(=O)OC1CC2(C3CC=C4C(C3(C(=O)CC2(C1C(C)(C(=O)C=CC(C)(C)OC(=O)C)O)C)C)CC(C(=O)C4(C)C)O)C","VDSNEQABQQKTRF-ZHECFNFVSA-N","5356030",NA,"PDBC36564","49452","Present"
-"Facs-8 fujisawa","","","","","","","","","","","","","","","","","","","","FACS-8 FUJISAWA","","CCCOC(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)C(=O)O","IWQUEXCJWUBCBN-UHFFFAOYSA-N","434210",NA,"PDBC36565","345402","Present"
-"Fagaronine chloride","","","","","","","","","","","","","","","","","","","","Fagaronine chloride","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)O)OC)OC)OC.[Cl-]","VVEPUJCLNRDIEQ-UHFFFAOYSA-N","40304",NA,"PDBC36566","157995","Present"
-"Falcarinone","","","","","","","","","","","","","","","","","","","","Falcarinon","","CCCCCCCC=CCC#CC#CC(=O)C=C","UQEBOJRXTNLPKZ-KHPPLWFESA-N","5281150",NA,"PDBC36567","653380","Present"
-"Fangchinoline","","","","","","","","","","","","","","","","","","","","Fangchinoline","","CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC","IIQSJHUEZBTSAT-VMPREFPWSA-N","73481",NA,"PDBC36568","77036","Present"
-"Fantridone hydrochloride","","","","","","","","","","","","","","","","","","","","fantridone hydrochloride","","CN(C)CCCN1C2=CC=CC=C2C3=CC=CC=C3C1=O.Cl","VRCYZPYOTBBJKU-UHFFFAOYSA-N","23619468",NA,"PDBC36569","79843","Present"
-"Faradiol","","","","","","","","","","","","","","","","","","","","Faradiol","","CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC=C1C)C)O)C)C)(C)C)O)C","BNHIQKVOPNHQKO-ZPWDLUOLSA-N","397486",NA,"PDBC36570","705534","Present"
-"Faradiol alpha-epoxide","","","","","","","","","","","","","","","","","","","","Faradiol .alpha.-epoxide","","CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC6C1(O6)C)C)O)C)C)(C)C)O)C","ZHBSMFWWAZGXHE-BMJWJMHVSA-N","397487",NA,"PDBC36571","705535","Present"
-"Farnesiaside","","","","","","","","","","","","","","","","","","","","Farnesiaside","","CC12CCC3C(C45CC(CCC4C3(C1C(OC2=O)O)C)C(=C)C5OC6C(C(C(C(O6)CO)O)O)O)O","WMIPXFSQLLVMKU-JLIIVFCQSA-N","398039",NA,"PDBC36572","707141","Present"
-"Fastigillin B","","","","","","","","","","","","","","","","","","","","Fastigilin B","","CC1C2C=CC(=O)C2(C(C3C(C(=O)OC3C1O)C)OC(=O)C=C(C)C)C","DLISCHVYLYGCNV-UHFFFAOYSA-N","417662",NA,"PDBC36573","176503","Present"
-"Fastigillin C","","","","","","","","","","","","","","","","","","","","Fastigilin C","","CC1C2C=CC(=O)C2(C(C3C(C1O)OC(=O)C3=C)OC(=O)C=C(C)C)C","QQEQKSVDPDNRRR-NUYZTHSYSA-N","261577",NA,"PDBC36574","176507","Present"
-"Fauwolscine, hydrochloride","","","","","","","","","","","","","","","","","","","","FAUWOLSCINE, HYDROCHLORIDE","","COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl","PIPZGJSEDRMUAW-UHFFFAOYSA-N","12304060",NA,"PDBC36575","407307","Present"
-"Fcrc57-G","","","","","","","","","","","","","","","","","","","","FCRC57-G","","CC1=CC2=CC3=C(C(=C2C(=O)O1)O)OC4(C(C3)O)C(C5=C(C6=C(C(=C5O4)O)C(=O)C(=CC6=O)OC)O)O","NWVQGFXTZWXNGL-UHFFFAOYSA-N","5358914",NA,"PDBC36576","289645","Present"
-"Fenebrutinib","","","","","","","","","","","","","","","","","","","","fenebrutinib","","CC1CN(CCN1C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO)C8COC8","WNEODWDFDXWOLU-QHCPKHFHSA-N","86567195",NA,"PDBC36577","798202","Present"
-"Fenoldopam mesylate","","","","","","","","","","","","","","","","","","","FENOLDOPAM MESYLATE","","","CS(=O)(=O)O.C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O","CVKUMNRCIJMVAR-UHFFFAOYSA-N","49659",NA,"PDBC36578","","Absent"
-"Fenticlor","","","","","","","","","","","","","","","","","","","","NSC4112///NSC55636","","C1=CC(=C(C=C1Cl)SC2=C(C=CC(=C2)Cl)O)O","ANUSOIHIIPAHJV-UHFFFAOYSA-N","7329",NA,"PDBC36579","4112///55636","Present"
-"Ferene S","","","","","","","","","","","","","","","","","","","","Ferene","","C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)O)C4=CC=C(O4)S(=O)(=O)O.[Na+]","CGAHGMQKUPCZKN-UHFFFAOYSA-N","54600798",NA,"PDBC36580","601364","Present"
-"Ferprenin","","","","","","","","","","","","","","","","","","","","Ferprenin","","CC(=CCCC(=CCCC1(C=CC2=C(O1)C3=CC=CC=C3OC2=O)C)C)C","JQLNFODDCYXPCO-WOJGMQOQSA-N","5387614",NA,"PDBC36581","625193","Present"
-"Ferrate(1-), [2-(pyridinylmethylene)hydrazinecarbothioam...","","","","","","","","","","","","","","","","","","","","Ferrate(1-), [2-(pyridinylmethylene)hydrazinecarbothioam...","","","","",NA,"PDBC36582","299130","Present"
-"Ferrate(2-), chloro[7,12-diacetyl-3,8,13,17-tetramethyl-...","","","","","","","","","","","","","","","","","","","","Ferrate(2-), chloro[7,12-diacetyl-3,8,13,17-tetramethyl-...","","","","",NA,"PDBC36583","19664","Present"
-"Ferric [(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","Ferric [(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea","","","","",NA,"PDBC36584","613664","Present"
-"Ferric dimethoxy-sulfanyl-thioxo-$l^{5}-phosphane","","","","","","","","","","","","","","","","","","","","Ferric dimethoxy-sulfanyl-thioxo-$l^{5}-phosphane","","","","",NA,"PDBC36585","650875","Present"
-"Ferric-taxol","","","","","","","","","","","","","","","","","","","","ferric-taxol","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)[O-])[O-])OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)[O-])C)OC(=O)C.[Fe+3]","DENRCSJSKWORLT-NOSCCTPQSA-N","54612932",NA,"PDBC36586","749908","Present"
-"Ferrocene, 1,1''-(dichlorostannylene)bis-","","","","","","","","","","","","","","","","","","","","Ferrocene, 1,1''-(dichlorostannylene)bis-","","","","",NA,"PDBC36587","176245","Present"
-"Ferulenol","","","","","","","","","","","","","","","","","","","","Ferulenol","","CC(=CCCC(=CCCC(=CCC1=C(C2=CC=CC=C2OC1=O)O)C)C)C","NJJDBBUWWOAOLD-CFBAGHHKSA-N","54679300",NA,"PDBC36588","655150","Present"
-"Ferulic acid","","","","","","","","","","","","","","","","","","","","Ferulic acid","","COC1=C(C=CC(=C1)C=CC(=O)O)O","KSEBMYQBYZTDHS-HWKANZROSA-N","445858",NA,"PDBC36589","2821","Present"
-"Filipin","","","","","","","","","","","","","","","","","","","","Filipin","","CCCCCC(C1C(CC(CC(CC(CC(CC(CC(C(=CC=CC=CC=CC=CC(C(OC1=O)C)O)C)O)O)O)O)O)O)O)O","IMQSIXYSKPIGPD-JUDYZCJOSA-N","5351457",NA,"PDBC36590","3364","Present"
-"Finasteride Impurity","","","","","","","","","","","","","","","","","","","","Finasteride Impurity","","CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C4C3(CCC(=O)N4)C","IHYQEUFHHYXVFL-FIIPNDBVSA-N","384650",NA,"PDBC36591","674693","Present"
-"Fisogatinib","","","","","","","","","","","","","","","","","","","","BLU-554","","COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3C=C2)NC4COCCC4NC(=O)C=C)Cl)OC","MGZKYOAQVGSSGC-DLBZAZTESA-N","91885617",NA,"PDBC36592","795718","Present"
-"Flaccidin B","","","","","","","","","","","","","","","","","","","","Flaccidin B","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C","GXWUEMSASMVWKO-KFYKJMCGSA-N","362350",NA,"PDBC36593","626094","Present"
-"Flammulin","","","","","","","","","","","","","","","","","","","","Flammulin","","","","",NA,"PDBC36594","525661","Present"
-"Flavacol","","","","","","","","","","","","","","","","","","","","Flavacol","","CC(C)CC1=CN=C(C(=O)N1)CC(C)C","UYYRKEKHAYEACU-UHFFFAOYSA-N","278143",NA,"PDBC36595","127442","Present"
-"Flavanone","","","","","","","","","","","","","","","","","","","","FLAVANONE","","C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3","ZONYXWQDUYMKFB-UHFFFAOYSA-N","10251",NA,"PDBC36596","50393","Present"
-"Flavaspidic acid","","","","","","","","","","","","","","","","","","","","toxifren","","CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)C)O","NHVQLOCTXSMKIX-UHFFFAOYSA-N","8237",NA,"PDBC36597","115497","Present"
-"Flavellagic acid","","","","","","","","","","","","","","","","","","","","Flavellagic acid","","C1=C(C(=O)C2=C3C1=C(OC4=C3C(=C(O2)O)C(=C(C4=O)O)O)O)O","UCKGLEMDCQLHHW-UHFFFAOYSA-N","135426515",NA,"PDBC36598","335996","Present"
-"Flavenochromane B","","","","","","","","","","","","","","","","","","","","Flavenochromane B","","CC1(CCC2=C3C(=C4C(=C2O1)CCC(O4)(C)C)C(=O)C(=C(O3)C5=CC=C(C=C5)O)O)C","VBVBDUDAYZYKEQ-UHFFFAOYSA-N","11327657",NA,"PDBC36599","734925","Present"
-"Flavenochromane C","","","","","","","","","","","","","","","","","","","","Flavenochromane C","","CC1(CCC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)O)C","FHQZGKHNFJNQLJ-UHFFFAOYSA-N","11451469",NA,"PDBC36600","734926","Present"
-"Flavofungin","","","","","","","","","","","","","","","","","","","","Flavofungin","","CC1C=CC(CC(CC(CC(CC(CC(CC(C(C(CC=CC=CC=CC=CC=CC(=O)OC1C(C)C)O)C)O)O)O)O)O)O)O","GBVIQYQFMPWELT-VNYSJGGHSA-N","5384323",NA,"PDBC36601","324065","Present"
-"Flavokawain b","","","","","","","","","","","","","","","","","","","","CHALCONE,2-HYDROXY-4,6-DIMETHYL","","COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2)O","QKQLSQLKXBHUSO-CMDGGOBGSA-N","5356121",NA,"PDBC36602","51351","Present"
-"Flavonid, 6[4,3]","","","","","","","","","","","","","","","","","","","","Flavonid, 6[4,3]","","COC1=CC2=C(C=C1)OC(=CC2=O)C3=C(C(=C(C=C3)OC)OC)OC","JKOSEVFRYVUMCD-UHFFFAOYSA-N","373142",NA,"PDBC36603","649085","Present"
-"Flexinine","","","","","","","","","","","","","","","","","","","","flexinine","","C1CN2CC3=CC4=C(C=C3C15C2CC(C6C5O6)O)OCO4","WWSZBGJLESQTHB-DMHMKPBJSA-N","398936",NA,"PDBC36604","709250","Present"
-"Flindulatin","","","","","","","","","","","","","","","","","","","","Flindulatin","","COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC","SQOMVBRIXCJFKW-UHFFFAOYSA-N","5466138",NA,"PDBC36605","678105","Present"
-"Floxacillin Na salt","","","","","","","","","","","","","","","","","","","","Floxacillin Na salt","","CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.[Na+]","OTEANHMVDHZOPB-SLINCCQESA-N","23620326",NA,"PDBC36606","277175","Present"
-"Fludara","","","","","","","","","","","","","","","","","","","","NSC312887","","C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)F)N","GIUYCYHIANZCFB-UHFFFAOYSA-N","3368",NA,"PDBC36607","312887","Present"
-"Fludarabine Base","","","","","","","","","","","","","","","","","","","","NSC118218///NSC124463","","C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N","HBUBKKRHXORPQB-UHFFFAOYSA-N","3367",NA,"PDBC36608","118218///124463","Present"
-"Fludazonium chloride","","","","","","","","","","","","","","","","","","","","fludazonium chloride(usan)","","C1=CC(=CC=C1C(=O)C[N+]2=CN(C=C2)CC(C3=C(C=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)Cl)Cl)F.[Cl-]","JWPMAPBNVNRWBX-UHFFFAOYSA-M","216228",NA,"PDBC36609","351149","Present"
-"Flufenamic acid 2-chlorophenyl ester","","","","","","","","","","","","","","","","","","","","(2-Chlorophenyl) 2-[3-(trifluoromethyl)anilino]benzoate","","C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2Cl)NC3=CC=CC(=C3)C(F)(F)F","YDPGGYAGKTWZDD-UHFFFAOYSA-N","11538385",NA,"PDBC36610","733909","Present"
-"Flumethasone 21-pivalate","","","","","","","","","","","","","","","","","","","","Flumethasone Pivalate","","CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F","JWRMHDSINXPDHB-UHFFFAOYSA-N","3376",NA,"PDBC36611","107680","Present"
-"Fluopsin N","","","","","","","","","","","","","","","","","","","","Fluopsin N","","","","",NA,"PDBC36612","178264","Present"
-"Fluoran","","","","","","","","","","","","","","","","","","","","Fluoran","","C1=CC=C2C(=C1)C(=O)OC23C4=CC=CC=C4OC5=CC=CC=C35","FWQHNLCNFPYBCA-UHFFFAOYSA-N","68994",NA,"PDBC36613","629162","Present"
-"Fluoren-2-amine, 1,3,7-tribromo-","","","","","","","","","","","","","","","","","","","","WLN: L B656 HHJ DE EZ FE LE","","C1C2=C(C=CC(=C2)Br)C3=CC(=C(C(=C31)Br)N)Br","DESWTTXWHWPCJD-UHFFFAOYSA-N","12885",NA,"PDBC36614","56677","Present"
-"Fluoren-2-amine, N-methyl-","","","","","","","","","","","","","","","","","","","","9H-Fluoren-2-amine, N-methyl- (9CI)","","CNC1=CC2=C(C=C1)C3=CC=CC=C3C2","BHCLAVVCSLBFHS-UHFFFAOYSA-N","44294",NA,"PDBC36615","12286","Present"
-"Fluoren-9-one, 2-[bis(p-bromobenzyl)amino]-","","","","","","","","","","","","","","","","","","","","Fluoren-9-one, 2-[bis(p-bromobenzyl)amino]-","","C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N(CC4=CC=C(C=C4)Br)CC5=CC=C(C=C5)Br","ISUTUHVJGVOEHQ-UHFFFAOYSA-N","227150",NA,"PDBC36616","18451","Present"
-"Fluoren-9-ylidenetriphenylphosphorane","","","","","","","","","","","","","","","","","","","","NSC625122","","C1=CC=C(C=C1)P(=C2C3=CC=CC=C3C4=CC=CC=C42)(C5=CC=CC=C5)C6=CC=CC=C6","WAIYJGWQTGVSJY-UHFFFAOYSA-N","249417",NA,"PDBC36617","625122","Present"
-"Fluorene, 9-bromo-2,4,7-trichloro-","","","","","","","","","","","","","","","","","","","","Fluorene, 9-bromo-2,4,7-trichloro-","","C1=CC2=C(C=C1Cl)C(C3=C2C(=CC(=C3)Cl)Cl)Br","QOVQXCVVFBVTQL-UHFFFAOYSA-N","248608",NA,"PDBC36618","65921","Present"
-"Fluorene-2-carbamic acid, ethyl ester, thiosemicarbazone","","","","","","","","","","","","","","","","","","","","Fluorene-2-carbamic acid, 9-oxo-, ethyl ester, thiosemic...","","CCOC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NNC(=S)N","BSEFXBZJKBHWQM-HKWRFOASSA-N","5464757",NA,"PDBC36619","81327","Present"
-"Fluorescein, 4,5,6,7-tetraphenyl-","","","","","","","","","","","","","","","","","","","","Fluorescein, 4,5,6,7-tetraphenyl-","","C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)OC35C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)C8=CC=CC=C8)C9=CC=CC=C9","BMASRXKWMMABRC-UHFFFAOYSA-N","419920",NA,"PDBC36620","119886","Present"
-"Fluoro quinolone derivatives","","","","","","","","","","","","","","","","","","","","FLUORO QUINOLONE DERIVATIVES","","C1CN(CCN1CC(=NNC(=O)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)C4=C(C=C5C(=C4)NC=C(C5=O)C(=O)O)F","UGCCHJXVOWZZMH-IWBSIUBASA-N","24203532",NA,"PDBC36621","728459","Present"
-"Fluoroanilino-azatoxin","","","","","","","","","","","","","","","","","","","","Fluoroanilino-azatoxin","","COC1=CC(=CC(=C1O)OC)C2C3=C(C(C4N2C(=O)OC4)NC5=CC=C(C=C5)F)C6=CC=CC=C6N3","KRGUDELVCQGRQE-RPGGLDLESA-N","378896",NA,"PDBC36622","662304","Present"
-"Fluorobenzofurano[2,3","","","","","","","","","","","","","","","","","","","","fluorobenzofurano[2,3","","CC12CCC3C(C1CCC2O)CCC4=CC5=C(C=C34)C6=C(O5)C=C(C=C6)F","WPUPURXAZQWXGG-IZTASLPDSA-N","45028028",NA,"PDBC36623","740792","Present"
-"Fluorocyclopentenylcytosine","","","","","","","","","","","","","","","","","","","","RX-3117","","C1=CN(C(=O)N=C1N)C2C(C(C(=C2F)CO)O)O","QLLGKCJUPWYJON-HLTSFMKQSA-N","11242315",NA,"PDBC36624","785657","Present"
-"Fluorodopan","","","","","","","","","","","","","","","","","","","","Fluorodopan","","CC1=C(C(=O)NC(=O)N1)N(CCF)CCCl","ODACNRQBNVVGAI-UHFFFAOYSA-N","13268",NA,"PDBC36625","73754","Present"
-"Fluoroimide","","","","","","","","","","","","","","","","","","","","Fluoroimide","","C1=CC(=CC=C1N2C(=O)C(=C(C2=O)Cl)Cl)F","IPENDKRRWFURRE-UHFFFAOYSA-N","93228",NA,"PDBC36626","622384","Present"
-"Fluoroquinolonr DR","","","","","","","","","","","","","","","","","","","","FLUOROQUINOLONR DR","","COC1=C(N=CN=C1S(=O)(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F)OC","CDFZXNGIZZOSCW-UHFFFAOYSA-N","24204048",NA,"PDBC36627","730505","Present"
-"Fluorosalan","","","","","","","","","","","","","","","","","","","","flusalan","","C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC(=C2)Br)Br)O)C(F)(F)F","VYKKDKFTDMVOBU-UHFFFAOYSA-N","20906",NA,"PDBC36628","166520","Present"
-"Fmoc-Gly-N(CH3)OCH3","","","","","","","","","","","","","","","","","","","","Fmoc-Gly-N(CH3)OCH3","","CN(C(=O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC","VSMGVPALADLUGW-UHFFFAOYSA-N","384665",NA,"PDBC36629","674710","Present"
-"Folcidin","","","","","","","","","","","","","","","","","","","","facid","","C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N","OVBPIULPVIDEAO-UHFFFAOYSA-N","135444779",NA,"PDBC36630","3073","Present"
-"Formaldehyde;2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one","","","","","","","","","","","","","","","","","","","","Formaldehyde;2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one","","CC(C)C1=CC(=O)C(=CC=C1)O.C=O","OEDWYFSBEMTJLH-UHFFFAOYSA-N","257608",NA,"PDBC36631","85775","Present"
-"Formamicin","","","","","","","","","","","","","","","","","","","","Formamicin","","CCCCCC1C2CC(=CC=CC(C(OC(=O)C=CC(=CC(C2O)(OCO1)C)C)C(C)C(C(C)C3(CC(C(C(O3)C)C)OC4CC(C(C(O4)C)O)O)O)O)OC)C","AUNKVZMKKDTMQP-NDUKOJCTSA-N","54608954",NA,"PDBC36632","705339","Present"
-"Formamicin,  MW=808","","","","","","","","","","","","","","","","","","","","Formamicin,  MW=808","","","","",NA,"PDBC36633","694246","Present"
-"Formamide, N-((1Z)-2-(2,5-dihydroxyphenyl)ethenyl)-","","","","","","","","","","","","","","","","","","","","(Z)-N-[2-(2,5-Dihydroxyphenyl)ethenyl]-formamide (cis Er...","","C1=CC(=C(C=C1O)C=CNC=O)O","SIHZWGODIRRSRA-ARJAWSKDSA-N","5467316",NA,"PDBC36634","650438","Present"
-"Formamide, N-(4-chlorophenyl)-1-(ethylsulfinyl)-N-hydroxy-","","","","","","","","","","","","","","","","","","","","Formamide, N-(4-chlorophenyl)-1-(ethylsulfinyl)-N-hydroxy-","","CCS(=O)C(=O)N(C1=CC=C(C=C1)Cl)O","FYNOLGAAOWMZOK-UHFFFAOYSA-N","395596",NA,"PDBC36635","700332","Present"
-"Formamide,3-dimethyl-1-triazenyl)phenyl]-","","","","","","","","","","","","","","","","","","","","Formamide, N-[4-(3,3-dimethyl-1-triazenyl)phenyl]-","","CN(C)N=NC1=CC=C(C=C1)NC=O","JYMLVQVXQJFHRZ-UHFFFAOYSA-N","321881",NA,"PDBC36636","276376","Present"
-"Formerly NSC 364574","","","","","","","","","","","","","","","","","","","","NSC363980","","CC1C2CC=C3C2(COC14C(CC(O4)(C)C)O)C(=O)CC5(C3CCC6C5(CC7=NC8=C(CC9(C(C8)CCC1C9CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)C)N=C7C6)C)O","BVGDPXVMSLWVOD-HZMRJVDMSA-N","6711240",NA,"PDBC36637","363980","Present"
-"Formerly NSC 364575","","","","","","","","","","","","","","","","","","","","NSC363981","","CC1C2CC=C3C2(COC14C(C(C(O4)(C)C)C)O)C(=O)CC5(C3CCC6C5(CC7=NC8=C(CC9(C(C8)CCC1C9CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)C)N=C7C6)C)O","RRIQAWNFJSPGFF-CZDQFVSGSA-N","6711241",NA,"PDBC36638","363981","Present"
-"Formocortal","","","","","","","","","","","","","","","","","","","","fluderma","","CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(=C5C4(CCC(=C5)OCCCl)C)C=O)F)O)C)OC(O2)(C)C","QNXUUBBKHBYRFW-QWAPGEGQSA-N","289085",NA,"PDBC36639","150527","Present"
-"Formononetin","","","","","","","","","","","","","","","","","","","","Biochanin B","","COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O","HKQYGTCOTHHOMP-UHFFFAOYSA-N","5280378",NA,"PDBC36640","93360","Present"
-"Formycin A","","","","","","","","","","","","","","","","","","","","Formycin A","","C1=NC2=C(NN=C2C(=N1)N)C3C(C(C(O3)CO)O)O","KBHMEHLJSZMEMI-UHFFFAOYSA-N","265953",NA,"PDBC36641","102811","Present"
-"Forsythiaside","","","","","","","","","","","","","","","","","","","","forsythoside B","","CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O","DTOUWTJYUCZJQD-UJERWXFOSA-N","5281773",NA,"PDBC36642","729638","Present"
-"Fosquidone","","","","","","","","","","","","","","","","","","","","Fosquidone","","CC1C2=CC=CC=C2CN3C1=C4C(=C3)C(=O)C5=C(C4=O)C=CC=C5OP(=O)(O)OCC6=CC=CC=C6.[Na+]","PSOVPQYKBDYKJN-UHFFFAOYSA-N","20835850",NA,"PDBC36643","611615","Present"
-"Fotretamine","","","","","","","","","","","","","","","","","","","","Fotretamine","","C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CCOCC4)(N5CC5)N6CC6)N7CC7","SCGZIPCHOAVGCL-UHFFFAOYSA-N","65800",NA,"PDBC36644","216135","Present"
-"Fpjworqegi","","","","","","","","","","","","","","","","","","","","TNO-155","","CC1C(C2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1)N","UCJZOKGUEJUNIO-IINYFYTJSA-N","118238370",NA,"PDBC36645","825523","Present"
-"Fqa-TR","","","","","","","","","","","","","","","","","","","","FQA-TR","","C1CN(CC1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=C6C=CC7=CC=CC=C7C6=C5)F","QYQUMHWYIJBNPE-MRXNPFEDSA-N","400716",NA,"PDBC36646","713080","Present"
-"Fqa-TS","","","","","","","","","","","","","","","","","","","","Ir(dpm)PQ2","","C1CN(CC1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=C6C=CC7=CC=CC=C7C6=C5)F","QYQUMHWYIJBNPE-INIZCTEOSA-N","400715",NA,"PDBC36647","713079","Present"
-"Fraxinellone","","","","","","","","","","","","","","","","","","","","Fraxinellone","","CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3","XYYAFLHHHZVPRN-GXTWGEPZSA-N","124039",NA,"PDBC36648","638730","Present"
-"Fraxinellonone","","","","","","","","","","","","","","","","","","","","Fraxinellonone","","CC1=C2C(=O)OC(C2(CCC1=O)C)C3=COC=C3","CGHVUSLIWOGTID-GXTWGEPZSA-N","6712624",NA,"PDBC36649","701399","Present"
-"Fredericamycin","","","","","","","","","","","","","","","","","","","","Fredericamycin","","CC=CC=CC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O","NJLAGDPRCAPJIF-VNKDHWASSA-N","135430424",NA,"PDBC36650","305263","Present"
-"Fredericamycin, potassium salt","","","","","","","","","","","","","","","","","","","","Fredericamycin, potassium salt","","CC=CC=CC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O.[K+]","NNGYGYICWLYJJB-SGHJDCIMSA-N","135455438",NA,"PDBC36651","601617","Present"
-"Free base of 106594","","","","","","","","","","","","","","","","","","","","free base of 106594","","C1=NC2=C(N1CCN(CCCl)CCCl)N=C(NC2=O)N","TYALWOPMBRFYQS-UHFFFAOYSA-N","135478597",NA,"PDBC36652","639022","Present"
-"Free base of NSC 610966","","","","","","","","","","","","","","","","","","","","Free base of NSC 610966","","CNCC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CNC","QOYOBSQVKHEJLZ-UHFFFAOYSA-N","355990",NA,"PDBC36653","617076","Present"
-"From Dolabella auricularia (sea hare)","","","","","","","","","","","","","","","","","","","","DOLASTATIN 10","","CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C","OFDNQWIFNXBECV-MOFABKIVSA-N","54600749",NA,"PDBC36654","376128","Present"
-"From marine animal, Axinella sp.","","","","","","","","","","","","","","","","","","","","HALICHONDRIN B","","CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC(O4)C(CC(CO)O)O)C)C)OC9CC(C1=C)O2)C","FXNFULJVOQMBCW-YAWMHOIFSA-N","6711270",NA,"PDBC36655","609395","Present"
-"Frondoside A","","","","","","","","","","","","","","","","","","","","Frondoside A","","CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC67C(C(CC6(C5=CCC4C3(C)C)C)OC(=O)C)C(OC7=O)(C)CCCC(C)C)C)OS(=O)(=O)O)O)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(CO9)O)OC1C(C(C(C(O1)CO)O)OC)O)O.[Na+]","JVAXTYZSDXFKMH-ULZSMZNOSA-N","54611458",NA,"PDBC36656","733624","Present"
-"Fructigenine A","","","","","","","","","","","","","","","","","","","","Fructigenine A","","CC(=O)N1C2C(CC3N2C(=O)C(NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)C(C)(C)C=C","UHFSGFDEMVYYRX-ZXVJBGIBSA-N","367425",NA,"PDBC36657","637143","Present"
-"Fulvene, 6-phenyl-1,2,3,4-tetrachloro-","","","","","","","","","","","","","","","","","","","","Fulvene, 6-phenyl-1,2,3,4-tetrachloro-","","C1=CC=C(C=C1)C=C2C(=C(C(=C2Cl)Cl)Cl)Cl","UJVQTEILOLRAQA-UHFFFAOYSA-N","230809",NA,"PDBC36658","26109","Present"
-"Fumagillin dicyclohexylamine salt","","","","","","","","","","","","","","","","","","","","Fugillin dicyclohexylamine salt","","CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C.C1CCC(CC1)NC2CCCCC2","OLRILZDTQKZQIG-GRJGWNIVSA-N","5474187",NA,"PDBC36659","58368","Present"
-"Fumaramic acid","","","","","","","","","","","","","","","","","","","","Fumaric acid monoamide","","C(=CC(=O)O)C(=O)N","FSQQTNAZHBEJLS-OWOJBTEDSA-N","5364140",NA,"PDBC36660","126766","Present"
-"Fumaric acid","","","","","","","","","","","","","","","","","","","","FUMARIC ACID","","C(=CC(=O)O)C(=O)O","VZCYOOQTPOCHFL-OWOJBTEDSA-N","444972",NA,"PDBC36661","2752","Present"
-"Fumaric acid 1-isopropyl 4-(2-nitroethenyl) ester","","","","","","","","","","","","","","","","","","","","O4-isopropyl O1-[(E)-2-nitrovinyl] (E)-but-2-enedioate","","CC(C)OC(=O)C=CC(=O)OC=C[N+](=O)[O-]","LMPCJDISZUPNJW-VNKDHWASSA-N","5470342",NA,"PDBC36662","699798","Present"
-"Fumaric acid,2,3-triazol-4-yl]methyl]-1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-1-pyrimidinyl]-, diethyl ester","","","","","","","","","","","","","","","","","","","","2-Butenedioic acid, (E)-, 2-[3-[[[[2-(acetyloxy)ethoxy] ...","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C)C","WTJLPHBHHWAOPN-RQZCQDPDSA-N","5469901",NA,"PDBC36663","694000","Present"
-"Fumitremorgin C","","","","","","","","","","","","","","","","","","","","Fumitremorgin C","","CC(=CC1C2=C(CC3N1C(=O)C4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C","DBEYVIGIPJSTOR-FHWLQOOXSA-N","403923",NA,"PDBC36664","719655","Present"
-"Funiferine","","","","","","","","","","","","","","","","","","","","Funiferine","","CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)OC)C5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC","ODCYIKWOTVSPKB-UHFFFAOYSA-N","426395",NA,"PDBC36665","189487","Present"
-"Funkiosid F","","","","","","","","","","","","","","","","","","","","Funkiosid F","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1","XGYNVBAFYOIJRP-HDOHURDYSA-N","401295",NA,"PDBC36666","714601","Present"
-"Funkiosid H","","","","","","","","","","","","","","","","","","","","Funkiosid H","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)OC2C(C(C(C(O2)C)OC2C(C(C(C(O2)C)O)O)O)O)O)O)O)O)O)C)C)C)OC1","YXPZZBVSDLNPRV-GSMWCAPGSA-N","401296",NA,"PDBC36667","714602","Present"
-"Furamidine HCl","","","","","","","","","","","","","","","","","","","","Benzenecarboximidamide, 4,4'-(2,5-furandiyl)bis-, dihydr...","","C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N)C(=N)N.Cl","OPUODUNVVMCWGH-UHFFFAOYSA-N","24198848",NA,"PDBC36668","305831","Present"
-"Furan,5-dihydroxy-3,3,4,4-tetramethyl-","","","","","","","","","","","","","","","","","","","","Furan, 2,5-dihydroxy-3,3,4,4-tetramethyl-","","CC1(C(OC(C1(C)C)O)O)C","JYWHYWCFYNRFPE-UHFFFAOYSA-N","357100",NA,"PDBC36669","614928","Present"
-"Furan-2-carboxamide, 3-(4-chlorophenyl)-N-cyclohexyl-5-methoxy-4-(phenylsulfonyl)-","","","","","","","","","","","","","","","","","","","","Furan-2-carboxamide, 3-(4-chlorophenyl)-N-cyclohexyl- 5-...","","COC1=C(C(=C(O1)C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4","VHQGXSLLCNIINF-UHFFFAOYSA-N","386060",NA,"PDBC36670","677629","Present"
-"Furan-2-glyoxal-2'-amino thiophenol","","","","","","","","","","","","","","","","","","","","Furan-2-glyoxal-2'-amino thiophenol","","C1=CC=C(C(=C1)N=CC(=O)C2=CC=CO2)S","FSKMEBWHONIGID-UHFFFAOYSA-N","362641",NA,"PDBC36671","626850","Present"
-"Furan-2-yl-(1-oxy-3,6-bis-trifluoromethyl-quinoxalin-2-yl)-methanone","","","","","","","","","","","","","","","","","","","","Furan-2-yl-(1-oxy-3,6-bis-trifluoromethyl-quinoxalin-2-y...","","C1=COC(=C1)C(=O)C2=[N+](C3=C(C=C(C=C3)C(F)(F)F)N=C2C(F)(F)F)[O-]","QZIBAKYHEGRVMA-UHFFFAOYSA-N","23635778",NA,"PDBC36672","741429","Present"
-"Furan-2-yl-(1-oxy-3,7-bis-trifluoromethyl-quinoxalin-2-yl)-methanone","","","","","","","","","","","","","","","","","","","","Furan-2-yl-(1-oxy-3,7-bis-trifluoromethyl-quinoxalin-2-y...","","C1=COC(=C1)C(=O)C2=[N+](C3=C(C=CC(=C3)C(F)(F)F)N=C2C(F)(F)F)[O-]","LYUHMKBXRGAIQB-UHFFFAOYSA-N","23635780",NA,"PDBC36673","741428","Present"
-"Furan-2-yl-(7-methyl-2-oxy-3-trifluoromethyl-quinoxalin-2-yl)-methanone","","","","","","","","","","","","","","","","","","","","Furan-2-yl-(7-methyl-2-oxy-3-trifluoromethyl-quinoxalin-...","","CC1=CC2=C(C=C1)[N+](=C(C(=N2)C(=O)C3=CC=CO3)C(F)(F)F)[O-]","RYPJOMJNRLVMBH-UHFFFAOYSA-N","54612671",NA,"PDBC36674","741431","Present"
-"Furan-2-yl-[6-methyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]methanone","","","","","","","","","","","","","","","","","","","","2-carboxy-(2?-furyl)-6(7)-methyl-3-trifluoromethylquinox...","","CC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C3=CC=CO3","NYTAEMUSNDJDIR-UHFFFAOYSA-N","24204285",NA,"PDBC36675","731197","Present"
-"Furan-2-yl-[7-methoxy-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]methanone","","","","","","","","","","","","","","","","","","","","2-carboxy-(2?-furyl)-7-methoxy-3-trifluoromethylquinoxal...","","COC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CO3)C(F)(F)F)[O-]","YUHJHKUHFJPQMS-UHFFFAOYSA-N","23635645",NA,"PDBC36676","731198","Present"
-"Furan-2-yl{[(1R)-1-phenylethyl]amino}acetonitrile","","","","","","","","","","","","","","","","","","","","Furan-2-yl{[(1R)-1-phenylethyl]amino}acetonitrile","","CC(C1=CC=CC=C1)NC(C#N)C2=CC=CO2","KLWWALJBHIUJQT-JTDNENJMSA-N","375597",NA,"PDBC36677","655421","Present"
-"Furanonaphthoquinone I","","","","","","","","","","","","","","","","","","","","4-Hydroxy-7-methoxy-2,3,6-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[f][1]benzofuran-5,8-dione","","CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)OC)C)(C)CCC=C(C)C","QAXYHXVBDHVKGC-UHFFFAOYSA-N","372583",NA,"PDBC36678","647943","Present"
-"Furanopetasin","","","","","","","","","","","","","","","","","","","","NSC672989","","CC=C(C)C(=O)OC1CC(C2(CC3=C(C(C2C1)O)OC=C3C)C)C","HTJLAOAUYDTOJA-GFERIFIOSA-N","5468624",NA,"PDBC36679","672989","Present"
-"Furantetracarboxylic acid","","","","","","","","","","","","","","","","","","","","furantetracarboxylic acid (9ci)","","C1(=C(OC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O","IREPGQRTQFRMQR-UHFFFAOYSA-N","237617",NA,"PDBC36680","41309","Present"
-"Furazan, di-p-anisoyl-, 2-oxide","","","","","","","","","","","","","","","","","","","","Furazan, di-p-anisoyl-, 2-oxide","","COC1=CC=C(C=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)OC)[O-]","FSLCSENNTORBKX-UHFFFAOYSA-N","286532",NA,"PDBC36681","144988","Present"
-"Furazan-3-carboxaldehyde, 4-methyl-, (phenylsulfonyl)hydra-zone, 5-oxide","","","","","","","","","","","","","","","","","","","","Furazan-3-carboxaldehyde, 4-methyl-, (phenylsulfonyl)hyd...","","CC1=[N+](ON=C1C=NNS(=O)(=O)C2=CC=CC=C2)[O-]","RKIBFIWUSZXGCO-YRNVUSSQSA-N","9555896",NA,"PDBC36682","647714","Present"
-"Furcelleran","","","","","","","","","","","","","","","","","","","","Furcelleran","","CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C","SNVFDPHQAOXWJZ-UHFFFAOYSA-N","393594",NA,"PDBC36683","695673","Present"
-"Furo[2, 2,3,3a,8a-tetrahydro-5,7-diiodo-4,6-dimethoxy-, cis-","","","","","","","","","","","","","","","","","","","","Furo[2,3-b]benzofuran, 2,3,3a,8a-tetrahydro-5,7-diiodo-4...","","COC1=C(C(=C(C2=C1C3CCOC3O2)I)OC)I","VHEQJWAVLIMVCO-KQDJYFMNSA-N","367177",NA,"PDBC36684","636672","Present"
-"Furo[2, 2,3,3a,8a-tetrahydro-6-methoxy-, cis-","","","","","","","","","","","","","","","","","","","","Furo[2,3-b]benzofuran-4-ol, 2,3,3a,8a-tetrahydro-6-metho...","","COC1=CC(=C2C3CCOC3OC2=C1)O","YNPOSBONXFRQDW-HQJQHLMTSA-N","367176",NA,"PDBC36685","636671","Present"
-"Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5H)-one, 9-[(4-fluorophenyl)amino]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5H)-one, 9-[(...","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F","OWZJVOYADMZDSO-PUEOPUMLSA-N","363651",NA,"PDBC36686","628679","Present"
-"Furo[3,4-b][1,4]benzodioxine-1,3-dione","","","","","","","","","","","","","","","","","","","","Furo[3,4-b][1,4]benzodioxine-1,3-dione","","C1=CC=C2C(=C1)OC3=C(O2)C(=O)OC3=O","LWXNCFYEJKHXFE-UHFFFAOYSA-N","357617",NA,"PDBC36687","617141","Present"
-"Furodysinin","","","","","","","","","","","","","","","","","","","","Furodysinin","","CC1=CC2CC3=C(C=CO3)C(C2CC1)(C)C","OSSOIKJYWQAIQR-VXGBXAGGSA-N","360188",NA,"PDBC36688","622160","Present"
-"Furospongolide","","","","","","","","","","","","","","","","","","","","NSC775913","","CC(=CCCC(=CCCC1=COC=C1)C)CCCC2=CC(=O)OC2","WCHKEOQZUQGPSS-ZTRBTYSCSA-N","21637526",NA,"PDBC36689","775913","Present"
-"Fusarubin","","","","","","","","","","","","","","","","","","","","Fusarubin","","CC1(CC2=C(CO1)C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O)O","FKJXMYJPOKQPSS-UHFFFAOYSA-N","73421",NA,"PDBC36690","106193","Present"
-"Fusigen, triacetyl","","","","","","","","","","","","","","","","","","","","FUSIGEN, TRIACETYL","","CC1=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC(C(=O)OCC1)NC(=O)C)O)C)NC(=O)C)O)C)NC(=O)C)O.[Fe]","PJECCKYLTMQOCP-NXDOYQDCSA-N","54607411",NA,"PDBC36691","295379","Present"
-"Fusion protein 59 (FP59) plus Protective Antigen (PA)at ...","","","","","","","","","","","","","","","","","","","","Fusion protein 59 (FP59) plus Protective Antigen (PA)at ...","","","","",NA,"PDBC36692","720308","Present"
-"Futibatinib","","","","","","","","","","","","","","","","","","","","futibutinib","","COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)C4CCN(C4)C(=O)C=C)OC","KEIPNCCJPRMIAX-HNNXBMFYSA-N","71621331",NA,"PDBC36693","813488","Present"
-"G-749","","","","","","","","","","","","","","","","","","G-749","","","","","","",NA,"PDBC36694","","Absent"
-"G1 antibody","","","","","","","","","","","","","","","","","","","","G1 antibody","","","","",NA,"PDBC36695","740290","Present"
-"G3","","","","","","","","","","","","","","","","","","","G3","","","","","",NA,"PDBC36696","","Absent"
-"GALFVTLALVXPCQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GALFVTLALVXPCQ-UHFFFAOYSA-N","","C(C1=C(NC(=C1CC(C(C(F)(F)F)(F)F)(F)F)C(=O)O)C(=O)O)C(C(C(F)(F)F)(F)F)(F)F","GALFVTLALVXPCQ-UHFFFAOYSA-N","361844",NA,"PDBC36697","625160","Present"
-"GBFRCHJWZOUGOA-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GBFRCHJWZOUGOA-UHFFFAOYSA-N","","COC1=C(C=C2C3CC4=CC=CC=C4CCN3CCC2=C1)OC","GBFRCHJWZOUGOA-UHFFFAOYSA-N","384200",NA,"PDBC36698","673605","Present"
-"GCFJZCNIRGYKRX-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GCFJZCNIRGYKRX-UHFFFAOYSA-N","","CN1C2=NSC(=C2C(=O)N(C1=O)C)N(C)C","GCFJZCNIRGYKRX-UHFFFAOYSA-N","370131",NA,"PDBC36699","642721","Present"
-"GCFLTOLIWWOBOI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GCFLTOLIWWOBOI-UHFFFAOYSA-N","","CC(=O)C(=CC1=CC=C(C=C1)C=C(C(=O)C)C(=O)C)C(=O)C","GCFLTOLIWWOBOI-UHFFFAOYSA-N","354777",NA,"PDBC36700","607320","Present"
-"GCHCAFIIXGRBLS-UHFFFAOYSA-","","","","","","","","","","","","","","","","","","","","GCHCAFIIXGRBLS-UHFFFAOYSA-","","C1CN2C(=NSC2=S)N1","GCHCAFIIXGRBLS-UHFFFAOYSA-N","135405388",NA,"PDBC36701","725856","Present"
-"GDC-0339","","","","","","","","","","","","","","","","","","","","GDC-0339","","CN1C(=C(C=N1)NC(=O)C2=C(SC(=N2)C3=C(C=CC=C3F)F)N)N4CCC(C(CC4)F)N","NHXVGMQFCYBLTL-ZWNOBZJWSA-N","73603034",NA,"PDBC36702","791495","Present"
-"GDC-0927","","","","","","","","","","","","","","","","","","","","GDC-0927","","CC1=C(C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC(C4)CF)C5=CC(=CC=C5)O","KJAAPZIFCQQQKX-NDEPHWFRSA-N","87055263",NA,"PDBC36703","812902","Present"
-"GEL-I-195-1","","","","","","","","","","","","","","","","","","","","GEL-I-195-1","","CC12CCC(C13CO3)OC4=C2C=C(C=C4)OC","YARPTZLUZXARAZ-UHFFFAOYSA-N","323476",NA,"PDBC36704","283834","Present"
-"GGDWSLGIKROZFN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GGDWSLGIKROZFN-UHFFFAOYSA-N","","CCOC(=O)C(C(F)(F)F)(NC(=O)NC(C(=O)OCC)(C(F)(F)F)O)O","GGDWSLGIKROZFN-UHFFFAOYSA-N","383658",NA,"PDBC36705","672076","Present"
-"GGSDBHVRVRCVOZ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GGSDBHVRVRCVOZ-UHFFFAOYSA-N","","CCNC1CC(OC1CO)N2C=C(C(=O)NC2=O)C","GGSDBHVRVRCVOZ-UHFFFAOYSA-N","372769",NA,"PDBC36706","648389","Present"
-"GGXRRDIBUFTXIE-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GGXRRDIBUFTXIE-UHFFFAOYSA-N","","C1C(S(=O)C2=CC=CC=C2NC1=O)C3=CC=CC=C3","GGXRRDIBUFTXIE-UHFFFAOYSA-N","381140",NA,"PDBC36707","667458","Present"
-"GHTGDLQPUQIRFH-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GHTGDLQPUQIRFH-UHFFFAOYSA-N","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=S)N","GHTGDLQPUQIRFH-UHFFFAOYSA-N","3005236",NA,"PDBC36708","684972","Present"
-"GJHCADNBXOGIHI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GJHCADNBXOGIHI-UHFFFAOYSA-N","","CC1=CC(=O)OC2=C1C=CC(=C2)SC(=O)N(C)C","GJHCADNBXOGIHI-UHFFFAOYSA-N","395497",NA,"PDBC36709","700139","Present"
-"GLEMYYHYOHRBLT-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GLEMYYHYOHRBLT-UHFFFAOYSA-N","","CC1(CC(=C)C(=O)O1)COC2=CC3=C(C=C2)C=CC(=O)O3","GLEMYYHYOHRBLT-UHFFFAOYSA-N","381505",NA,"PDBC36710","668261","Present"
-"GM 1489 CalBioChem Cat. No. 364200","","","","","","","","","","","","","","","","","","","","GM 1489 CalBioChem Cat. No. 364200","","CC(C)CC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C3=CC=CC=C3","BLPWNGOQQLJQOL-NRYAXDJKSA-N","10322165",NA,"PDBC36711","727678","Present"
-"GNE-140 (racemate)","","","","","","","","","","","","","","","","","","","","GNE-140","","C1COCCN1C2=CC=C(C=C2)C3(CC(=O)C(C(=O)N3)SC4=CC=CC=C4Cl)C5=CSC=C5","GLDDJXYFHWRGPI-UHFFFAOYSA-N","118384725",NA,"PDBC36712","799908","Present"
-"GNE-617","","","","","","","","","","","","","","","","","","","","GNE-617","","C1=CC(=CC=C1CNC(=O)C2=CN3C=CN=C3C=C2)S(=O)(=O)C4=CC(=CC(=C4)F)F","XRDVXQQZLHVEQZ-UHFFFAOYSA-N","68277611",NA,"PDBC36713","779407","Present"
-"GNF-PF-2664","","","","","","","","","","","","","","","","","","","","GNF-PF-2664","","C1CN2C(=N1)C3=C(C2(C4=CC5=CC=CC=C5C=C4)O)C6=CC=CC=C6C7=CC=CC=C73","VEOHXIUSARYQDP-UHFFFAOYSA-N","403510",NA,"PDBC36714","718510","Present"
-"GNF-Pf-4066","","","","","","","","","","","","","","","","","","","","GNF-Pf-4066","","CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5)OC)OCO3","GXFOBPWUVXXUIF-UHFFFAOYSA-N","343548",NA,"PDBC36715","383229","Present"
-"GNMLNGDFMLEYNR-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GNMLNGDFMLEYNR-UHFFFAOYSA-N","","C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)C#N)N","GNMLNGDFMLEYNR-UHFFFAOYSA-N","402862",NA,"PDBC36716","717147","Present"
-"GP0210","","","","","","","","","","","","","","","","","","","","GP0210","","CCC(CO)NC1=NC2=C(C=NN2C(=N1)NCC3=CC=CC=C3)C(C)C","SQUNOCMDMIQIQK-OAHLLOKOSA-N","25190761",NA,"PDBC36717","743927","Present"
-"GPRXWDOJSMVDHQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GPRXWDOJSMVDHQ-UHFFFAOYSA-N","","CC(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])CCl","GPRXWDOJSMVDHQ-UHFFFAOYSA-N","4365483",NA,"PDBC36718","692739","Present"
-"GR105659X","","","","","","","","","","","","","","","","","","","","GR105659X","","C1CC(=C2C3=CC=CC=C3NC2=O)C4=C1C=C(C=C4)O","VZCJCGYMMSXPBM-SSZFMOIBSA-N","44386338",NA,"PDBC36719","756130","Present"
-"GR269666A","","","","","","","","","","","","","","","","","","","","GR269666A","","C1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)NC4=NC=NC5=CC=CC=C54","DTDOKRXSUWPVDY-UHFFFAOYSA-N","44279376",NA,"PDBC36720","756131","Present"
-"GS-389","","","","","","","","","","","","","","","","","","","","GS-389","","COC1=CC=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC","GXTUEUWFEKEQHJ-UHFFFAOYSA-N","170524",NA,"PDBC36721","645299","Present"
-"GS-9901","","","","","","","","","","","","","","","","","","","","GS-9901","","C1CC1C(C2=NC3=C(C=CC(=C3C(=O)N2C4=CN=CC=C4)Cl)F)NC5=NC(=NC(=C5C#N)N)N","XDSXYMOZKDUASY-INIZCTEOSA-N","86763204",NA,"PDBC36722","798799","Present"
-"GSK screening, 25","","","","","","","","","","","","","","","","","","","","GSK614526A","","CCN1C2=C(C(=NC=C2OCC3CCCN3)C#CC(C)(C)O)N=C1C4=NON=C4N","BKDRXZKRHMEDHE-LBPRGKRZSA-N","53239965",NA,"PDBC36723","756182","Present"
-"GSK screening, 32","","","","","","","","","","","","","","","","","","","","GW297361X///GW589933X","","C1=CC(=CC=C1N=CC2=C(NC3=C2C4=C(C=C3)N=CS4)O)S(=O)(=O)N","OTEUBDUXVNFEFC-UHFFFAOYSA-N","135421144",NA,"PDBC36724","756210///756288","Present"
-"GSK-2194069","","","","","","","","","","","","","","","","","","","","GSK-2194069","","C1CC1C(=O)N2CCC(C2)CC3=NNC(=O)N3C4=CC=C(C=C4)C5=CC6=C(C=C5)OC=C6","AQTPWCUIYUOEMG-INIZCTEOSA-N","67376285",NA,"PDBC36725","792955","Present"
-"GSK-2879552","","","","","","","","","","","","","","","","","","","","GSK-2879552","","C1CN(CCC1CNC2CC2C3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O","LRULVYSBRWUVGR-FCHUYYIVSA-N","66571643",NA,"PDBC36726","783917","Present"
-"GSK-3326595","","","","","","","","","","","","","","","","","","","","GSK-3326595","","CC(=O)N1CCC(CC1)NC2=NC=NC(=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)O","JLCCNYVTIWRPIZ-NRFANRHFSA-N","90241742",NA,"PDBC36727","800404","Present"
-"GSK-3368715","","","","","","","","","","","","","","","","","","","","GSK-3368715","","CCOCC1(CCC(CC1)C2=C(C=NN2)CN(C)CCNC)COCC","SPEGERVLTUWZPA-UHFFFAOYSA-N","90462880",NA,"PDBC36728","823806","Present"
-"GSK-921","","","","","","","","","","","","","","","","","","","","GSK-921","","CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C","PGXYIBJJCLWJST-UHFFFAOYSA-N","22345245",NA,"PDBC36729","773261","Present"
-"GSK-LSD1","","","","","","","","","","","","","","","","","","LSD1","","","","","","",NA,"PDBC36730","","Absent"
-"GSK1000163A","","","","","","","","","","","","","","","","","","","","GSK1000163A","","CCN1C2=C(C(=NC(=C2)CN3CCCC3)C#CC(C)(C)O)N=C1C4=NON=C4N","JHBURLBWOXZZGX-UHFFFAOYSA-N","11959377",NA,"PDBC36731","756132","Present"
-"GSK1007102B","","","","","","","","","","","","","","","","","","","","GSK1007102B","","CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OC(CN)C4=CC=CC=C4","VLGIYSJSJHPDHN-KRWDZBQOSA-N","11959314",NA,"PDBC36732","756133","Present"
-"GSK1023156A","","","","","","","","","","","","","","","","","","","","GSK1023156A","","C1=CC=C(C(=C1)COC2=C(SC(=C2)N3C=NC4=CC=CC=C43)C(=O)N)Br","BWZJWBWWGBNPLH-UHFFFAOYSA-N","25263083",NA,"PDBC36733","756134","Present"
-"GSK1030058A","","","","","","","","","","","","","","","","","","","","GSK1030058A","","COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)OC)OCC4=CC=CC=C4C(F)(F)F)OC","QRODFHXJGMZHTM-UHFFFAOYSA-N","25263110",NA,"PDBC36734","756135","Present"
-"GSK1030059A","","","","","","","","","","","","","","","","","","","","GSK1030059A","","CC(=O)C1=C(C=C(S1)N2C=NC3=CC(=C(C=C32)OC)OC)OCC4=CC=CC=C4C(F)(F)F","JFNQBWFEGWHHDQ-UHFFFAOYSA-N","25263114",NA,"PDBC36735","756136","Present"
-"GSK1030061A","","","","","","","","","","","","","","","","","","","","GSK1030061A","","CNC(=O)C1=C(C=C(S1)N2C=NC3=CC(=C(C=C32)OC)OC)OCC4=CC=CC=C4C(F)(F)F","ZBDRKUGDFBDQJP-UHFFFAOYSA-N","25263115",NA,"PDBC36736","756137","Present"
-"GSK1173862A","","","","","","","","","","","","","","","","","","","","GSK1173862A","","CCCN1CCCC(C1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=CC(=C5)F)C(=O)N)OC","LZOWLPPKVLNYEG-UHFFFAOYSA-N","25218600",NA,"PDBC36737","756139","Present"
-"GSK1220512A","","","","","","","","","","","","","","","","","","","","GSK1220512A","","CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=C(C=C5)F)C(=O)N)OC","IBROMPXLFSIBRF-UHFFFAOYSA-N","25218614",NA,"PDBC36738","756140","Present"
-"GSK1326255A","","","","","","","","","","","","","","","","","","","","GSK1326255A","","CCCN1CCC(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=CC(=C5)F)C(=O)N)OC","UKKOZAHWQFYYRW-UHFFFAOYSA-N","25218601",NA,"PDBC36739","756141","Present"
-"GSK1392956A","","","","","","","","","","","","","","","","","","","","GSK1392956A","","CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=C(C=C5)F)C(=O)NCC(CO)O)OC","SAWLOYCVNOMZOQ-UHFFFAOYSA-N","53338690",NA,"PDBC36740","756142","Present"
-"GSK1511931A","","","","","","","","","","","","","","","","","","","","GSK1511931A","","CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=CC=CC6=C5C=CC=N6)OC","PEPOAPKYASCEKL-UHFFFAOYSA-N","44581765",NA,"PDBC36741","756143","Present"
-"GSK1713088A","","","","","","","","","","","","","","","","","","","","GSK1713088A","","CCCN1CCC(CC1)OC2=C(C=C(C(=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C(=CC=C5)F)C(=O)N)OC)Cl","GGQTUXCKDZGJDL-UHFFFAOYSA-N","25218571",NA,"PDBC36742","756144","Present"
-"GSK1751853A","","","","","","","","","","","","","","","","","","","","GSK1751853A","","CC(C)N1CCN(CC1)CC(=O)N2CCC3=CC(=C(C=C32)NC4=NC5=C(C=CN5)C(=N4)NC6=C(C(=CC=C6)F)C(=O)N)OC","NYPPEWQPHYILTM-UHFFFAOYSA-N","25218584",NA,"PDBC36743","756145","Present"
-"GSK180736A","","","","","","","","","","","","","","","","","","","","GSK180736A","","CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)NN=C4","HEAIGWIZTYAQTC-UHFFFAOYSA-N","11233873",NA,"PDBC36744","756146","Present"
-"GSK1819799A","","","","","","","","","","","","","","","","","","","","GSK1819799A","","CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C(=CC=C5)F)C(=O)O)OC","CMBHUJIHAZQWHO-UHFFFAOYSA-N","44581245",NA,"PDBC36745","756147","Present"
-"GSK192082A","","","","","","","","","","","","","","","","","","","","GSK192082A","","CCNC(=O)OC1CC(NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","IYINYGZMZPUBOK-TZIWHRDSSA-N","11307581",NA,"PDBC36746","756149","Present"
-"GSK200398A","","","","","","","","","","","","","","","","","","","","GSK200398A","","C1COCCN1C(=O)OC2CC(NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC6=C(C=C5)N(N=C6)CC7=CC=CC=C7","SDHRCQGCPUPURT-ILBGXUMGSA-N","25263257",NA,"PDBC36747","756150","Present"
-"GSK204925A","","","","","","","","","","","","","","","","","","","","GSK204925A","","COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCCC4=CC=CC=C4)OC","WJXHPWZUPIMHJP-UHFFFAOYSA-N","25263099",NA,"PDBC36748","756151","Present"
-"GSK2110236A","","","","","","","","","","","","","","","","","","","","GSK2110236A","","CN(C)CC(=O)N1CCCC2=CC(=C(C=C21)NC3=NC4=C(C=CN4)C(=N3)NC5=C(SC=C5)C(=O)N)OC","KKPGTCOUMOPLRX-UHFFFAOYSA-N","25210971",NA,"PDBC36749","756152","Present"
-"GSK2163632A","","","","","","","","","","","","","","","","","","","","GSK2163632A","","CC1(CCN(C2=CC(=C(C=C21)OC)NC3=NC4=C(C=CN4)C(=N3)NC5=C(SC=C5)C(=O)N)C(=O)CN(C)C)C","YNSCKPCDFIDINW-UHFFFAOYSA-N","25210972",NA,"PDBC36750","756153","Present"
-"GSK2186269A","","","","","","","","","","","","","","","","","","","","GSK2186269A","","CN(C)CC(=O)N1CCC2=CC(=C(C=C21)NC3=NC4=C(C=CN4)C(=N3)N5CCC6=CC=CC=C65)OC","MUCIWJFQZDAZJT-UHFFFAOYSA-N","44581222",NA,"PDBC36751","756154","Present"
-"GSK2213727A","","","","","","","","","","","","","","","","","","","","GSK2213727A","","CC1=CC(=C(C=C1NC(=O)CN(C)C)NC2=NC3=C(C=CN3)C(=N2)NC4=C(C(=CC=C4)F)C(=O)N)OC","IKWHWJFNGWUVIJ-UHFFFAOYSA-N","25211574",NA,"PDBC36752","756155","Present"
-"GSK2219385A","","","","","","","","","","","","","","","","","","","","GSK2219385A","","CC1=CC(=C(C=C1N(C)C(=O)CN(C)C)NC2=NC3=C(C=CN3)C(=N2)NC4=C(C(=CC=C4)F)C(=O)N)OC","ZUXJDKZUOTZPMQ-UHFFFAOYSA-N","25218573",NA,"PDBC36753","756156","Present"
-"GSK2220400A","","","","","","","","","","","","","","","","","","","","GSK2220400A","","CNC(=O)C1=C(C=CC=N1)NC2=NC(=NC3=C2C=CN3)NC4=C(C=C5CCCN(C5=C4)C(=O)CN(C)C)OC","OBMZKUNRGPCSLT-UHFFFAOYSA-N","53239988",NA,"PDBC36754","756157","Present"
-"GSK237700A","","","","","","","","","","","","","","","","","","","","GSK237700A","","CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=CC(=C(C=C43)OC)OC)C(=O)N","UHCHLTQBLNUYRT-LBPRGKRZSA-N","25263117",NA,"PDBC36755","756158","Present"
-"GSK237701A","","","","","","","","","","","","","","","","","","","","GSK237701A","","CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=CC(=C(C=C43)OC)OC)C(=O)N","UHCHLTQBLNUYRT-GFCCVEGCSA-N","11957417",NA,"PDBC36756","756167","Present"
-"GSK238583A","","","","","","","","","","","","","","","","","","","","GSK238583A","","C1COCCN1C(=O)OC2CC(NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC=C(C=C5)CC6=CC=CC=C6","QAOIGWCWWITZTC-JWQCQUIFSA-N","25263254",NA,"PDBC36757","756159","Present"
-"GSK248233A","","","","","","","","","","","","","","","","","","","","GSK248233A","","CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)N(C)C","KODFUVBIVXFWPF-UHFFFAOYSA-N","16099859",NA,"PDBC36758","756160","Present"
-"GSK259178A","","","","","","","","","","","","","","","","","","","","GSK259178A","","C1COCCN1C(=O)OC2CC(NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC6=C(C=C5)N(C=C6)CC7=C(C=CC(=C7)F)F","MQEINKICQAEAMJ-ILBGXUMGSA-N","53239942",NA,"PDBC36759","756161","Present"
-"GSK270822A","","","","","","","","","","","","","","","","","","","","GSK270822A","","CC1=C(C(CC(=O)N1)C2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC5=C(C=C4)NN=C5","ODLNBFNBEPOFNC-UHFFFAOYSA-N","11269477",NA,"PDBC36760","756163","Present"
-"GSK299115A","","","","","","","","","","","","","","","","","","","","GSK299115A","","CC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC4=C(C=C3)NN=C4","RHTXWIKPNGROHZ-UHFFFAOYSA-N","11247002",NA,"PDBC36761","756164","Present"
-"GSK300014A","","","","","","","","","","","","","","","","","","","","GSK300014A","","CS(=O)(=O)CCNCC1=CC(=CS1)C2=CC3=C(N=CN=C3S2)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","NXPQOKLTKBGJEH-UHFFFAOYSA-N","44571414",NA,"PDBC36762","756165","Present"
-"GSK312948A","","","","","","","","","","","","","","","","","","","","GSK312948A","","COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CS4)OC","UKFXNDDYHAHTEM-UHFFFAOYSA-N","25263103",NA,"PDBC36763","756166","Present"
-"GSK317314A","","","","","","","","","","","","","","","","","","","","GSK317314A","","CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC)C(=O)N","YWNUJKWNTHEOIR-GFCCVEGCSA-N","25263118",NA,"PDBC36764","756169","Present"
-"GSK317315A","","","","","","","","","","","","","","","","","","","","GSK317315A","","CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC)C(=O)N","CVLJBLIMHPEZJC-GFCCVEGCSA-N","25263119",NA,"PDBC36765","756170","Present"
-"GSK317354A","","","","","","","","","","","","","","","","","","","","GSK317354A","","CC1=C(C(N=C(N1)C2=CN=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)F)C(=O)NC4=CC5=C(C=C4)NN=C5","VTWIDKVFGFLBGO-UHFFFAOYSA-N","11569498",NA,"PDBC36766","756171","Present"
-"GSK326090A","","","","","","","","","","","","","","","","","","","","GSK326090A","","CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OCC5CCN(CC5)C)C(=O)N","OPJOIUDMJCRLNO-QGZVFWFLSA-N","25263123",NA,"PDBC36767","756173","Present"
-"GSK466317A","","","","","","","","","","","","","","","","","","","","GSK466317A","","CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(C(=C3)Cl)NN=C4","OYNBTBJATZVIGH-UHFFFAOYSA-N","11751266",NA,"PDBC36768","756175","Present"
-"GSK554170A","","","","","","","","","","","","","","","","","","","","GSK554170A","","CCN1C2=C(C(=NC=C2OCC3CCNCC3)C#CC(C)(C)O)N=C1C4=NON=C4N","NTPAYIOIMIUCMN-UHFFFAOYSA-N","25023730",NA,"PDBC36769","756176","Present"
-"GSK561866B","","","","","","","","","","","","","","","","","","","","GSK561866B","","CCN1C2=C(C(=NC=C2OCCCN)C#CCN)N=C1C3=NON=C3N","AOKADEMCVOQECP-UHFFFAOYSA-N","25023728",NA,"PDBC36770","756177","Present"
-"GSK571989A","","","","","","","","","","","","","","","","","","","","GSK571989A","","CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OCC5CCN(CC5)C)C(=O)N","FCJBLTLQBCHRIE-QGZVFWFLSA-N","25263124",NA,"PDBC36771","756178","Present"
-"GSK579289A","","","","","","","","","","","","","","","","","","","","GSK579289A","","CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC5CCN(CC5)C)C(=O)N","GILNGUYOGYOZMP-MRXNPFEDSA-N","16051023",NA,"PDBC36772","756179","Present"
-"GSK619487A","","","","","","","","","","","","","","","","","","","","GSK619487A","","CCN1C2=C(C(=NC=C2OC3CCNCC3)C#CC(C)(C)O)N=C1C4=NON=C4N","OEMAOMXEFJMDSR-UHFFFAOYSA-N","25023734",NA,"PDBC36773","756183","Present"
-"GSK620503A","","","","","","","","","","","","","","","","","","","","GSK620503A","","C1=CC(=CC=C1C2=CC(=C(C(=C2)C(=O)N)N)C3=CC=NC=C3)F","INRJBVLMKPWSHK-UHFFFAOYSA-N","16048303",NA,"PDBC36774","756184","Present"
-"GSK635416A","","","","","","","","","","","","","","","","","","","","GSK635416A","","CNC(=O)C1=CC(=CC(=C1N)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=C(C=C4)F","UZFISAOOMRYRDS-UHFFFAOYSA-N","25190921",NA,"PDBC36775","756186","Present"
-"GSK711701A","","","","","","","","","","","","","","","","","","","","GSK711701A","","COC1=C(C=C(C=C1C(=O)N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N","PGMGCWOOCLJXIF-UHFFFAOYSA-N","25190926",NA,"PDBC36776","756187","Present"
-"GSK718429A","","","","","","","","","","","","","","","","","","","","GSK718429A","","CCN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=C6C=CNC6=NC=C5","QNTVJRSWYJREKJ-UHFFFAOYSA-N","44587530",NA,"PDBC36777","756188","Present"
-"GSK938890A","","","","","","","","","","","","","","","","","","","","GSK938890A","","CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OCC(C4=CC=CC=C4)N","NPRGDRYIMFLLIG-OAHLLOKOSA-N","11959682",NA,"PDBC36778","756189","Present"
-"GSK943949A","","","","","","","","","","","","","","","","","","","","GSK943949A","","CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OCC(C4=CC=CC=C4)N","NPRGDRYIMFLLIG-HNNXBMFYSA-N","11959683",NA,"PDBC36779","756208","Present"
-"GSK949675A","","","","","","","","","","","","","","","","","","","","GSK949675A","","CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OCCNC","RYFDZZFKNCPTJF-UHFFFAOYSA-N","11959600",NA,"PDBC36780","756190","Present"
-"GSK969786A","","","","","","","","","","","","","","","","","","","","GSK969786A","","C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=C4C=C(SC4=NC=N3)C5=CC=CO5)Cl","ZXVPQQUYVOHTBO-UHFFFAOYSA-N","44571435",NA,"PDBC36781","756192","Present"
-"GSK978744A","","","","","","","","","","","","","","","","","","","","GSK978744A","","CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OCC(CO)O)C(=O)N","JVAPIYLPNKDKAQ-KGLIPLIRSA-N","25263120",NA,"PDBC36782","756193","Present"
-"GSK994854A","","","","","","","","","","","","","","","","","","","","GSK994854A","","CCCN1CCC=C(C1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=CC=CC=C5C(=O)N)C","MCHOTIIDAJHLED-UHFFFAOYSA-N","25218593",NA,"PDBC36783","756195","Present"
-"GTPL10345","","","","","","","","","","","","","","","","","","","","GTPL10345","","C1COCCN1C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","CXJKJCXMTXTQKK-UHFFFAOYSA-N","378629",NA,"PDBC36784","661421","Present"
-"GTPL8141","","","","","","","","","","","","","","","","","","","","GTPL8141","","CC1=C(C=C(C=C1)O)C2=CN3C4=C(N=C3N2C5=CC=CC=C5OC)N(C(=O)NC4=O)C","JTWMOWRMSZZHDR-UHFFFAOYSA-N","44478401",NA,"PDBC36785","752203","Present"
-"GULF COMPOUND, PRODRUG","","","","","","","","","","","","","","","","","","","","GULF COMPOUND, PRODRUG","","C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C(CC7=CC=CC=C7)N)N","SXBPNXYVYHMTCJ-UHFFFAOYSA-N","353257",NA,"PDBC36786","373965","Present"
-"GUWBLBZMTCXBOG-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GUWBLBZMTCXBOG-UHFFFAOYSA-N","","CC1CN(C2=C1C(=C(C(=C2)C)OC(=O)C)C)C(=O)C","GUWBLBZMTCXBOG-UHFFFAOYSA-N","382326",NA,"PDBC36787","669795","Present"
-"GUZAEXKIKUZYTO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GUZAEXKIKUZYTO-UHFFFAOYSA-N","","CCOC(=O)C1=C(OCC1=O)NC2=CC=C(C=C2)Br","GUZAEXKIKUZYTO-UHFFFAOYSA-N","360720",NA,"PDBC36788","623056","Present"
-"GVELGZSFVZANIL-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GVELGZSFVZANIL-UHFFFAOYSA-N","","CC1=NN(C(=S)N(C1=O)C)C","GVELGZSFVZANIL-UHFFFAOYSA-N","245197",NA,"PDBC36789","56902","Present"
-"GW275616X","","","","","","","","","","","","","","","","","","","","GW275616X","","C1=CC=C2C(=C1)C(=C(N2)O)C=NC3=CC(=CC=C3)S(=O)(=O)N","WVFPKBPVRZSLFD-UHFFFAOYSA-N","135398493",NA,"PDBC36790","756196","Present"
-"GW275944X","","","","","","","","","","","","","","","","","","","","GW275944X","","CC1=CC2=C(C=C1)NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O","AEQVIUQQIMQNRU-UHFFFAOYSA-N","3323623",NA,"PDBC36791","756197","Present"
-"GW278681X","","","","","","","","","","","","","","","","","","","","GW278681X","","CS(=O)(=O)NC1=CC=C(C=C1)N=CC2=C(NC3=CC=CC=C32)O","ZYYJEUHZKGIYQJ-UHFFFAOYSA-N","135418262",NA,"PDBC36792","756199","Present"
-"GW282449A","","","","","","","","","","","","","","","","","","","","GW282449A","","COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5)OC","YILRBOLKDDWRKU-UHFFFAOYSA-N","44279443",NA,"PDBC36793","756202","Present"
-"GW282536X","","","","","","","","","","","","","","","","","","","","GW282536X","","CC1=C2C(=CC=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)S(=O)(=O)N","OAGABTOOWNSMLX-UHFFFAOYSA-N","135434997",NA,"PDBC36794","756203","Present"
-"GW282974X","","","","","","","","","","","","","","","","","","","","GW282974X","","CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5","DYYZXRCFCVDSKD-UHFFFAOYSA-N","6603857",NA,"PDBC36795","756204","Present"
-"GW284372X","","","","","","","","","","","","","","","","","","","","GW284372X","","C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=CO5","CJQVGTFFDYKCRG-UHFFFAOYSA-N","22609796",NA,"PDBC36796","756205","Present"
-"GW284408X","","","","","","","","","","","","","","","","","","","","GW284408X","","C1=CC=C2C(=C1)C(=C(N2)O)C=NC3=CC4=C(C=C3)NC(=O)N4","MOONDQKIASIDGX-UHFFFAOYSA-N","135482293",NA,"PDBC36797","756206","Present"
-"GW290597X","","","","","","","","","","","","","","","","","","","","GW290597X","","C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)C(=O)NCCCN4C=CN=C4)O)S(=O)(=O)N","IONNIVUSNDKSMT-UHFFFAOYSA-N","135434988",NA,"PDBC36798","756207","Present"
-"GW296115X","","","","","","","","","","","","","","","","","","","","GW296115X","","COC1=CC2=C(C=C1)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4)C=CC(=C6)OC","LGTURXDQKJRHSF-UHFFFAOYSA-N","5482344",NA,"PDBC36799","756209","Present"
-"GW300657X","","","","","","","","","","","","","","","","","","","","GW300657X","","C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)C(=O)NCC4=CC=NC=C4)O)S(=O)(=O)N","IXZMFISRHHRXRQ-UHFFFAOYSA-N","135434989",NA,"PDBC36800","756212","Present"
-"GW300660X","","","","","","","","","","","","","","","","","","","","GW300660X","","C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)C(=O)NCCC4=CN=CN4)O)S(=O)(=O)N","QPFWOQDGUBRECV-UHFFFAOYSA-N","135434987",NA,"PDBC36801","756213","Present"
-"GW301784X","","","","","","","","","","","","","","","","","","","","GW301784X","","CC(C)(CNC(=O)C1=CC2=C(C=C1)NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)CO","ZPPIIWDAWGGQAA-UHFFFAOYSA-N","135434990",NA,"PDBC36802","756214","Present"
-"GW301789X","","","","","","","","","","","","","","","","","","","","GW301789X","","C1=CC=C2C(=C1)C(=C(N2)O)C=NC3=CC=C(C=C3)N4C=NC=N4","ZAWQQTPMPNRJCJ-UHFFFAOYSA-N","135506564",NA,"PDBC36803","756215","Present"
-"GW301888X","","","","","","","","","","","","","","","","","","","","GW301888X","","CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N=C(N4)CC5=CC=CC=C5","RCDUEGIHNAMABT-UHFFFAOYSA-N","22727427",NA,"PDBC36804","756216","Present"
-"GW305074X","","","","","","","","","","","","","","","","","","","","GW305074X","","C1=CC2=C(C=C1I)C(=CC3=CC(=C(C(=C3)Br)O)Br)C(=O)N2","LMXYVLFTZRPNRV-KMKOMSMNSA-N","5924208",NA,"PDBC36805","756228","Present"
-"GW305178X","","","","","","","","","","","","","","","","","","","","GW305178X","","C1=CNC2=CC=C3C(=C(C(=O)N3)N=NC4=CC=C(C=C4)S(=O)(=O)N)C2=C1","PXJOCPODSAQBED-UHFFFAOYSA-N","135435007",NA,"PDBC36806","756217","Present"
-"GW335962X","","","","","","","","","","","","","","","","","","","","GW335962X","","CC(=NC1=CC=C(C=C1)S(=O)(=O)N)C2=C(NC3=CC=CC=C32)O","RBIXMEJKIVHVPF-UHFFFAOYSA-N","135421134",NA,"PDBC36807","756218","Present"
-"GW352430A","","","","","","","","","","","","","","","","","","","","GW352430A","","C1=CC(=C2C(=C1)NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)CCC4=CC=NC=C4","YTWUJKTZUCBCKZ-UHFFFAOYSA-N","135434973",NA,"PDBC36808","756219","Present"
-"GW396574X","","","","","","","","","","","","","","","","","","","","GW396574X","","CC(=CC1=C2C(=CC=C1)NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)C","ZZPQBANVXDRDLD-UHFFFAOYSA-N","135409809",NA,"PDBC36809","756220","Present"
-"GW405841X","","","","","","","","","","","","","","","","","","","","GW405841X","","COC(=O)C1=CC2=C(C=C1)NC(=O)C2=CC3=CC(=C(C(=C3)Br)O)Br","XGIIRMLBZISRPR-NYYWCZLTSA-N","56603984",NA,"PDBC36810","756221","Present"
-"GW406108X","","","","","","","","","","","","","","","","","","","","GW406108X","","C1=COC(=C1)C(=O)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC(=C(C(=C4)Cl)O)Cl","XKTUKRBLWOHYIL-MLPAPPSSSA-N","44312236",NA,"PDBC36811","756222","Present"
-"GW406731X","","","","","","","","","","","","","","","","","","","","GW406731X","","CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C(=O)OC)C)O","OEEUGRMNVFZVEG-SNAWJCMRSA-N","44418532",NA,"PDBC36812","756223","Present"
-"GW407323A","","","","","","","","","","","","","","","","","","","","GW407323A","","C1=CC2=C(C=C1C3=CSC(=N3)N)C(=CC4=CC(=C(C(=C4)Br)O)Br)C(=O)N2","KQALMYPOYXGJBX-QDEBKDIKSA-N","17982488",NA,"PDBC36813","756224","Present"
-"GW410563A","","","","","","","","","","","","","","","","","","","","GW410563A","","CC1=C(C=C(C=C1)NC2=NC=NC3=CC(=C(C=C32)OC)OC)O","XRFFUVUJIBWJII-UHFFFAOYSA-N","10425574",NA,"PDBC36814","756225","Present"
-"GW416469X","","","","","","","","","","","","","","","","","","","","GW416469X","","CN(C)C1=CC2=C(C=C1)NC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)N)O","NMIBTJKGMMFLAN-UHFFFAOYSA-N","135421139",NA,"PDBC36815","756226","Present"
-"GW416981X","","","","","","","","","","","","","","","","","","","","GW416981X","","CC(C)COC(=O)C1=CC2=C(C=C1)NC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)N)O","GULJQUMNCSFQCO-UHFFFAOYSA-N","135421141",NA,"PDBC36816","756227","Present"
-"GW427984X","","","","","","","","","","","","","","","","","","","","GW427984X","","CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C(=O)N(C)C)C)O","LPZDPCXVCBSYEC-AATRIKPKSA-N","44418533",NA,"PDBC36817","756229","Present"
-"GW429374A","","","","","","","","","","","","","","","","","","","","GW429374A","","C1=CC(=CN=C1)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC(=C(C(=C4)Br)O)Br","CAEMFFVPJFULIV-UUASQNMZSA-N","10004994",NA,"PDBC36818","756230","Present"
-"GW432441X","","","","","","","","","","","","","","","","","","","","GW432441X","","CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C(=O)NC)C)OC(=O)NC","GHHDPZAABUUQIX-AATRIKPKSA-N","44418572",NA,"PDBC36819","756231","Present"
-"GW434756X","","","","","","","","","","","","","","","","","","","","GW434756X","","C1=CC2=C(C(=NN2C=C1)C3=CC=C(C=C3)F)C4=CC=NC=C4","BUAIGJRXIAKFCN-UHFFFAOYSA-N","9857146",NA,"PDBC36820","756232","Present"
-"GW435821X","","","","","","","","","","","","","","","","","","","","GW435821X","","CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C(=O)N)C)O","WJVCASAEBZAPDS-ONEGZZNKSA-N","44418540",NA,"PDBC36821","756233","Present"
-"GW439255X","","","","","","","","","","","","","","","","","","","","GW439255X","","CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C(=O)OC(C)(C)C)C)O","TZPMELZXMICXNO-VOTSOKGWSA-N","44418545",NA,"PDBC36822","756234","Present"
-"GW440139A","","","","","","","","","","","","","","","","","","","","GW440139A","","CC1=C(C=C(C=C1)O)NC2=C3C=CC(=CC3=NC=C2)C4=CC=CC=N4","BKDBTNDUTIFYHL-UHFFFAOYSA-N","25023828",NA,"PDBC36823","756235","Present"
-"GW441806A","","","","","","","","","","","","","","","","","","","","GW441806A","","CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C3=NNN=N3)C)O","ILTYMFZEBAKYFU-ONEGZZNKSA-N","16049771",NA,"PDBC36824","756237","Present"
-"GW442130X","","","","","","","","","","","","","","","","","","","","GW442130X","","COC1=CC=CC=C1C2=C(C(=CC(=C2)C=C3C4=C(NC3=O)N=CC(=C4)Br)Br)O","RIJBDOXTEPVDPJ-APSNUPSMSA-N","9827373",NA,"PDBC36825","756238","Present"
-"GW445012X","","","","","","","","","","","","","","","","","","","","GW445012X","","CC1=C(C(=CC=C1)C)C=CC2=CC(=CN=C2)C(=O)NC","VCTNTQPZRCNWJA-BQYQJAHWSA-N","44418539",NA,"PDBC36826","756239","Present"
-"GW445014X","","","","","","","","","","","","","","","","","","","","GW445014X","","CNC(=O)C1=CN=CC(=C1)C=CC2=C(C=CC=C2Cl)Cl","DMGXXSZZNPKCTM-AATRIKPKSA-N","44418547",NA,"PDBC36827","756240","Present"
-"GW445015X","","","","","","","","","","","","","","","","","","","","GW445015X","","CC1=CC=CC=C1C=CC2=CC(=CN=C2)C(=O)NC","IDHOIXYTISLBFT-BQYQJAHWSA-N","44418555",NA,"PDBC36828","756241","Present"
-"GW445017X","","","","","","","","","","","","","","","","","","","","GW445017X","","CNC(=O)C1=CN=CC(=C1)C=CC2=CC=CC=C2Cl","HVTWLTGGYKBXHX-VOTSOKGWSA-N","44418556",NA,"PDBC36829","756242","Present"
-"GW450241X","","","","","","","","","","","","","","","","","","","","GW450241X","","CCC1=C(C(=CC=C1)CC)C=CC2=CC(=CN=C2)C(=O)NC","NLOKJGFIQFVGNZ-MDZDMXLPSA-N","44418546",NA,"PDBC36830","756243","Present"
-"GW458344A","","","","","","","","","","","","","","","","","","","","GW458344A","","CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C3=NNN=N3)C)C4=CC=CO4","XFBUODNVNPFENG-AATRIKPKSA-N","44418476",NA,"PDBC36831","756244","Present"
-"GW458787A","","","","","","","","","","","","","","","","","","","","GW458787A","","CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5","PMNXVLOADVXDDY-UHFFFAOYSA-N","9828336",NA,"PDBC36832","756245","Present"
-"GW459057A","","","","","","","","","","","","","","","","","","","","GW459057A","","CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C3=NNN=N3)C)C4=CC=CC=N4","LBJHHPBGZCPQIO-VOTSOKGWSA-N","44418481",NA,"PDBC36833","756246","Present"
-"GW513184X","","","","","","","","","","","","","","","","","","","","GW513184X","","COC1=C(C=CC(=C1)C=NNC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4)O","AKHRMFAGIBQWDR-LSHDLFTRSA-N","135558907",NA,"PDBC36834","756248","Present"
-"GW549034X","","","","","","","","","","","","","","","","","","","","GW549034X","","CCN1C2=CC=CC=C2N=C1C3=NON=C3N","HCRQPXYLXXLKPT-UHFFFAOYSA-N","599038",NA,"PDBC36835","756249","Present"
-"GW559768X","","","","","","","","","","","","","","","","","","","","GW559768X","","CC1=C(C=C(C=C1)O)NC2=C3C=C(C=CC3=NC=C2)S(=O)(=O)C","BVHZLDLRNBQWRF-UHFFFAOYSA-N","9927432",NA,"PDBC36836","756251","Present"
-"GW561436X","","","","","","","","","","","","","","","","","","","","GW561436X","","C1CC1NC2=NC=CC(=N2)C3=C4C=CC(=CN4N=C3C5=CC=C(C=C5)F)C#N","CCPYQRYMNOYXGL-UHFFFAOYSA-N","10133732",NA,"PDBC36837","756252","Present"
-"GW566221A","","","","","","","","","","","","","","","","","","","","GW566221A","","CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5","UJYWZVPEMTYMBL-UHFFFAOYSA-N","9828335",NA,"PDBC36838","756253","Present"
-"GW567808A","","","","","","","","","","","","","","","","","","","","GW567808A","","CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC(=CC=C5)C(F)(F)F","AERGSELXAOHCKG-UHFFFAOYSA-N","9808725",NA,"PDBC36839","756254","Present"
-"GW568326X","","","","","","","","","","","","","","","","","","","","GW568326X","","C1=CC(=CC=C1C2=NN3C=C(C=CC3=C2C4=NC(=NC=C4)N)C(F)(F)F)F","JQUJTXXKVLSAEV-UHFFFAOYSA-N","9947709",NA,"PDBC36840","756255","Present"
-"GW568377A","","","","","","","","","","","","","","","","","","","","GW568377A","","CS(=O)(=O)CCNCC1=C(OC=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5","ZBBOYUJFPDIEDF-UHFFFAOYSA-N","9893150",NA,"PDBC36841","756256","Present"
-"GW569293E","","","","","","","","","","","","","","","","","","","","GW569293E","","C1=CC(=CC=C1C2=NN3C=C(C=CC3=C2C4=NC(=NC=C4)NCCCO)C(F)(F)F)F","JIIWFBWSAHKMIA-UHFFFAOYSA-N","10203018",NA,"PDBC36842","756257","Present"
-"GW569530A","","","","","","","","","","","","","","","","","","","","GW569530A","","CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC(=CC=C5)C(F)(F)F","OOURSYCFPYHWPU-UHFFFAOYSA-N","5329478",NA,"PDBC36843","756258","Present"
-"GW572399X","","","","","","","","","","","","","","","","","","","","GW572399X","","C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=C(C=C3)S(=O)(=O)N","OKFOIEMZTIOWQH-UHFFFAOYSA-N","5329850",NA,"PDBC36844","756259","Present"
-"GW572401X","","","","","","","","","","","","","","","","","","","","GW572401X","","CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC=CC=C3","IXAUVBHKVRFJHO-UHFFFAOYSA-N","5329855",NA,"PDBC36845","756260","Present"
-"GW572738X","","","","","","","","","","","","","","","","","","","","GW572738X","","C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C#N","YVYPYORTKAIUGJ-UHFFFAOYSA-N","766948",NA,"PDBC36846","756261","Present"
-"GW574782A","","","","","","","","","","","","","","","","","","","","GW574782A","","CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)C(F)(F)F","HBNMFZZQCIPDOK-UHFFFAOYSA-N","9830092",NA,"PDBC36847","756262","Present"
-"GW574783B","","","","","","","","","","","","","","","","","","","","GW574783B","","CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl","HTIFVTQSFKUCDX-UHFFFAOYSA-N","9872621",NA,"PDBC36848","756263","Present"
-"GW575533A","","","","","","","","","","","","","","","","","","","","GW575533A","","COC1=C(C=C(C=C1)NC2=NC=C(O2)C3=CC=CC=C3)OC","BTALXHSRAPGDGP-UHFFFAOYSA-N","5329852",NA,"PDBC36849","756264","Present"
-"GW575808A","","","","","","","","","","","","","","","","","","","","GW575808A","","CC1=C(C=C(C=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)N)O","PKAORYXTBFAULF-UHFFFAOYSA-N","25138015",NA,"PDBC36850","756265","Present"
-"GW576484X","","","","","","","","","","","","","","","","","","","","GW576484X","","CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)C(F)(F)F","NAHPEMQMXDXGBZ-UHFFFAOYSA-N","21951965",NA,"PDBC36851","756266","Present"
-"GW576609A","","","","","","","","","","","","","","","","","","","","GW576609A","","C1CS(=O)CCN1CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl","BHZWACACNOOTKB-UHFFFAOYSA-N","9829680",NA,"PDBC36852","756267","Present"
-"GW576924A","","","","","","","","","","","","","","","","","","","","GW576924A","","C1CS(=O)CCN1CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC=CC=C6)F","QLLLIGGXRUNRDR-UHFFFAOYSA-N","44416243",NA,"PDBC36853","756268","Present"
-"GW577921A","","","","","","","","","","","","","","","","","","","","GW577921A","","COC1=CC=CC=C1NC2=NC=C(O2)C3=CC=CC=C3","DLHCYJIQXKETIN-UHFFFAOYSA-N","5329844",NA,"PDBC36854","756269","Present"
-"GW578748X","","","","","","","","","","","","","","","","","","","","GW578748X","","COC1=C(C=CC(=C1)C=NNC2=NC=NC3=C2C=NN3)O","HRLCKXAUZJCJAZ-FZSIALSZSA-N","135778713",NA,"PDBC36855","756270","Present"
-"GW580496A","","","","","","","","","","","","","","","","","","","","GW580496A","","CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Br","RRURVOSFXQLYQR-UHFFFAOYSA-N","21952043",NA,"PDBC36856","756271","Present"
-"GW580509X","","","","","","","","","","","","","","","","","","","","GW580509X","","CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC(=CC=C3)OC","GOGIUMBXFRNDRK-UHFFFAOYSA-N","5329860",NA,"PDBC36857","756272","Present"
-"GW581744X","","","","","","","","","","","","","","","","","","","","GW581744X","","C1=CC(=CC=C1C2=NN3C=C(C=CC3=C2C4=NC(=NC=C4)NCCCO)C(=O)N)F","HVYANQUWASOZQI-UHFFFAOYSA-N","10272700",NA,"PDBC36858","756273","Present"
-"GW583373A","","","","","","","","","","","","","","","","","","","","GW583373A","","C1CS(=O)CCN1CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC=CC=C6)Cl","BDCAOKLPNVNFEL-UHFFFAOYSA-N","9937660",NA,"PDBC36859","756274","Present"
-"GW589961A","","","","","","","","","","","","","","","","","","","","GW589961A","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Cl","XOMNBLZPGBTSHU-UHFFFAOYSA-N","10204357",NA,"PDBC36860","756275","Present"
-"GW607117X","","","","","","","","","","","","","","","","","","","","GW607117X","","CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N","PMMLSQFPBFKLHH-UHFFFAOYSA-N","10200651",NA,"PDBC36861","756277","Present"
-"GW612286X","","","","","","","","","","","","","","","","","","","","GW612286X","","CC1=C2C=CC(=CC2=NN1)NC3=NC(=NC=C3)NC4=CC(=C(C(=C4)OC)OC)OC","SQQAPOSROFWHIB-UHFFFAOYSA-N","9822610",NA,"PDBC36862","756278","Present"
-"GW615311X","","","","","","","","","","","","","","","","","","","","GW615311X","","C1=CC=C(C=C1)S(=O)(=O)CCOCC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl","JLBVWHHVKVXOOR-UHFFFAOYSA-N","9917474",NA,"PDBC36863","756279","Present"
-"GW616030X","","","","","","","","","","","","","","","","","","","","GW616030X","","CS(=O)(=O)CCN(CC#N)CC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","JGUKCUUOQNQOBB-UHFFFAOYSA-N","9873849",NA,"PDBC36864","756280","Present"
-"GW618013A","","","","","","","","","","","","","","","","","","","","GW618013A","","CN(C)CCCNC1=NC=CC(=N1)C2=C3C=CC(=CN3N=C2C4=CC=C(C=C4)F)C(F)(F)F","GRODATLUPILNTH-UHFFFAOYSA-N","10115337",NA,"PDBC36865","756281","Present"
-"GW621431X","","","","","","","","","","","","","","","","","","","","GW621431X","","CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC(=CC=C3)C(=O)C","QCQOWGLVUUYDQD-UHFFFAOYSA-N","5329868",NA,"PDBC36866","756283","Present"
-"GW621823A","","","","","","","","","","","","","","","","","","","","GW621823A","","CCCN(CCS(=O)(=O)C)CC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","LOWIJALPIWAMBK-UHFFFAOYSA-N","9960734",NA,"PDBC36867","756284","Present"
-"GW621970X","","","","","","","","","","","","","","","","","","","","GW621970X","","CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC(=CC=C3)F","VKLQCYYJIRWXHJ-UHFFFAOYSA-N","5329861",NA,"PDBC36868","756285","Present"
-"GW627512B","","","","","","","","","","","","","","","","","","","","GW627512B","","COC1=CC(=CC(=C1OC)OC)NC2=NC=C(O2)C3=CC=CC=C3","CKYLEUNHWFIYOR-UHFFFAOYSA-N","5329854",NA,"PDBC36869","756287","Present"
-"GW627834A","","","","","","","","","","","","","","","","","","","","GW627834A","","C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=CC(=C3)C#N","VZMXZHOJAGFSNF-UHFFFAOYSA-N","5329845",NA,"PDBC36870","756289","Present"
-"GW631581B","","","","","","","","","","","","","","","","","","","","GW631581B","","COC1=CC(=CC(=C1)NC2=NC=C(O2)C3=CC=CC=C3)OC","RKNRDRPDYXCRPG-UHFFFAOYSA-N","5329853",NA,"PDBC36871","756290","Present"
-"GW632046X","","","","","","","","","","","","","","","","","","","","GW632046X","","CC1=CC(=CC=C1)NC2=NC=C(O2)C3=CC=CC=C3","XLGKHWGSIZWZNN-UHFFFAOYSA-N","5329849",NA,"PDBC36872","756291","Present"
-"GW633459A","","","","","","","","","","","","","","","","","","","","GW633459A","","C1=CC=C(C=C1)S(=O)(=O)CCNCC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl","MTHDVQYDQJZAFB-UHFFFAOYSA-N","9809611",NA,"PDBC36873","756293","Present"
-"GW641155A","","","","","","","","","","","","","","","","","","","","GW641155A","","C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=C(C=C3)OC4=CC=CC=C4","MKASXHWBPFPYNF-UHFFFAOYSA-N","5329851",NA,"PDBC36874","756294","Present"
-"GW643971X","","","","","","","","","","","","","","","","","","","","GW643971X","","COC1=C(C=CC(=C1)C=NNC2=C3C=NN(C3=NC=N2)CC4=CC=CC=C4)O","ASFADYMEYHSSND-AUEPDCJTSA-N","135778715",NA,"PDBC36875","756297","Present"
-"GW644007X","","","","","","","","","","","","","","","","","","","","GW644007X","","CC(C)N1C2=NC=NC(=C2C=N1)NN=CC3=CC(=C(C=C3)O)OC","ZHJIZOYQFUOCHV-FBCYGCLPSA-N","135778714",NA,"PDBC36876","756298","Present"
-"GW651576X","","","","","","","","","","","","","","","","","","","","GW651576X","","C1=CC=C(C=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","QTJJFCPBQRQZAR-UHFFFAOYSA-N","11502866",NA,"PDBC36877","756299","Present"
-"GW654652C","","","","","","","","","","","","","","","","","","","","GW654652C","","CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=CC(=N2)N(C)C3=CC4=NNC(=C4C=C3)C","VTXJRGSOKKDRGH-UHFFFAOYSA-N","9955516",NA,"PDBC36878","756300","Present"
-"GW659893X","","","","","","","","","","","","","","","","","","","","GW659893X","","C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC=C3C#CC4=CC=C(C=C4)N)Cl","PTARQPWAPBTGAG-UHFFFAOYSA-N","11669455",NA,"PDBC36879","756302","Present"
-"GW678313X","","","","","","","","","","","","","","","","","","","","GW678313X","","CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC=CC(=C3)C4=CC=CC=C4F","DOKIBWCVABZHOH-UHFFFAOYSA-N","5329875",NA,"PDBC36880","756304","Present"
-"GW679410X","","","","","","","","","","","","","","","","","","","","GW679410X","","COC1=CC=C(C=C1)C2=NC=CC(=C2)C3=C(NN=C3)C4=CC=CC=N4","UNNVAVXBYOPNHR-UHFFFAOYSA-N","9901964",NA,"PDBC36881","756305","Present"
-"GW680975X","","","","","","","","","","","","","","","","","","","","GW680975X","","C1=CC=NC(=C1)C2=C(C=NN2)C3=CC(=NC=C3)C4=CC=C(C=C4)F","HZJPBOLTWHOKEL-UHFFFAOYSA-N","9858084",NA,"PDBC36882","756308","Present"
-"GW682841X","","","","","","","","","","","","","","","","","","","","GW682841X","","CC(C)C1=CC=C(C=C1)C2=NC=CC(=C2)C3=C(NN=C3)C4=CC=CC=N4","VMRIQAPFNJVYQI-UHFFFAOYSA-N","11717091",NA,"PDBC36883","756309","Present"
-"GW683003X","","","","","","","","","","","","","","","","","","","","GW683003X","","C1=CC2=C(C=NN2N=C1)C3=NC(=NC=C3)NCC(F)(F)F","JOSDAWJORYYQIX-UHFFFAOYSA-N","10286242",NA,"PDBC36884","756310","Present"
-"GW683109X","","","","","","","","","","","","","","","","","","","","GW683109X","","C1COCCN1CCCNC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3","ZRWNCIWVANTRGL-UHFFFAOYSA-N","10193482",NA,"PDBC36885","756311","Present"
-"GW683768X","","","","","","","","","","","","","","","","","","","","GW683768X","","CCC1=NN2C(=C1C3=NC(=NC=C3)NC4CC4)C=CC=N2","RPRZAINAFJBVOV-UHFFFAOYSA-N","10171618",NA,"PDBC36886","756313","Present"
-"GW684626B","","","","","","","","","","","","","","","","","","","","GW684626B","","C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=C4C=C(SC4=NC=N3)C5=CC=CS5)Cl","PBIJKZCHYCDPPC-UHFFFAOYSA-N","44571453",NA,"PDBC36887","756314","Present"
-"GW693481X","","","","","","","","","","","","","","","","","","","","GW693481X","","C1=CC=NC(=C1)C2=C(SC(=N2)N)C3=NC4=C(C=C3)N=CC=C4","NQQBKOGAKSBCSI-UHFFFAOYSA-N","9922527",NA,"PDBC36888","756315","Present"
-"GW693881A","","","","","","","","","","","","","","","","","","","","GW693881A","","C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3SC(=C4)C5=CC=CN5)Cl","WVBOSBMDZYIKPK-UHFFFAOYSA-N","44571452",NA,"PDBC36889","756316","Present"
-"GW695874X","","","","","","","","","","","","","","","","","","","","GW695874X","","C1COCCN1CCOC2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5","UJVHDGDGHUBCNG-UHFFFAOYSA-N","11604319",NA,"PDBC36890","756320","Present"
-"GW700494A","","","","","","","","","","","","","","","","","","","","GW700494A","","CN1CCN(CC1)CCCNC2=NC3=C(N2)C=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F","FJXOXTNXKDDKBD-UHFFFAOYSA-N","53239962",NA,"PDBC36891","756321","Present"
-"GW701032X","","","","","","","","","","","","","","","","","","","","GW701032X","","CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)OC","BFVNHKDXWONWHN-UHFFFAOYSA-N","10158653",NA,"PDBC36892","756322","Present"
-"GW701427A","","","","","","","","","","","","","","","","","","","","GW701427A","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=O)O","GUDLICATRRESCW-UHFFFAOYSA-N","10276395",NA,"PDBC36893","756323","Present"
-"GW703087X","","","","","","","","","","","","","","","","","","","","GW703087X","","CC(=O)NC1=CC=CC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","KHQLMFFPQINCMZ-UHFFFAOYSA-N","11656050",NA,"PDBC36894","756324","Present"
-"GW708336X","","","","","","","","","","","","","","","","","","","","GW708336X","","C1CC1NC2=NC=CC(=N2)C3=C4C=CC(=NN4N=C3)N5CCOCC5","RLKIXFRFDGFKOP-UHFFFAOYSA-N","10193464",NA,"PDBC36895","756325","Present"
-"GW708893X","","","","","","","","","","","","","","","","","","","","GW708893X","","CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl","PGONBMCLDBGMIY-UHFFFAOYSA-N","10295475",NA,"PDBC36896","756326","Present"
-"GW711782X","","","","","","","","","","","","","","","","","","","","GW711782X","","C1=CC=NC(=C1)C2=C(C=NN2)C3=CC(=NC=C3)C4=CC=C(C=C4)OCCN5C=CN=C5","HYDHOIPUKQMAHM-UHFFFAOYSA-N","10294883",NA,"PDBC36897","756328","Present"
-"GW743024X","","","","","","","","","","","","","","","","","","","","GW743024X","","CC1=C(C=C(C=C1)NC(=O)C2=COC=C2)C3=CC=C(C=C3)C(=O)NCC4CC4","HNOVOESCCUJDRT-UHFFFAOYSA-N","44593640",NA,"PDBC36898","756330","Present"
-"GW759710A","","","","","","","","","","","","","","","","","","","","GW759710A","","C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=CC(=CC=C3)F)C(=O)N","QEAKQZWSKOMZSQ-UHFFFAOYSA-N","25138030",NA,"PDBC36899","756331","Present"
-"GW768505A","","","","","","","","","","","","","","","","","","","","GW768505A","","COC1=CC=C(C=C1)C2=C(C3=C(N=CN=C3O2)N)C4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F","FGZIONRFHVNRJB-UHFFFAOYSA-N","5326956",NA,"PDBC36900","756332","Present"
-"GW769076X","","","","","","","","","","","","","","","","","","","","GW769076X","","CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCCC3)C4=CC=C(C=C4)C(=O)NCC5CC5","CZXAZXLPPWLLGJ-UHFFFAOYSA-N","44578672",NA,"PDBC36901","756333","Present"
-"GW770220A","","","","","","","","","","","","","","","","","","","","GW770220A","","CC1=NN(C2=C1C=CC(=C2)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N)C","ZVATUDPCDDOZRM-UHFFFAOYSA-N","24949546",NA,"PDBC36902","756334","Present"
-"GW771127A","","","","","","","","","","","","","","","","","","","","GW771127A","","CC1=C2C=CC(=CC2=NN1C)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N","RLIRKBLVQDRMIA-UHFFFAOYSA-N","10180652",NA,"PDBC36903","756337","Present"
-"GW772405X","","","","","","","","","","","","","","","","","","","","GW772405X","","CNC(=O)C1=CC=CC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","KOOYTOMPIPMGEP-UHFFFAOYSA-N","44410704",NA,"PDBC36904","756338","Present"
-"GW775608X","","","","","","","","","","","","","","","","","","","","GW775608X","","CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)C4=CC=C(C=C4)C(=O)NCC5CC5","BOQNSWFZUHQNRG-UHFFFAOYSA-N","24856364",NA,"PDBC36905","756339","Present"
-"GW778894X","","","","","","","","","","","","","","","","","","","","GW778894X","","C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3)C#N","CWRTWFWDDAJOMG-UHFFFAOYSA-N","10308522",NA,"PDBC36906","756340","Present"
-"GW779439X","","","","","","","","","","","","","","","","","","","","GW779439X","","CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4)C(F)(F)F","ZOTNSCLLJKXGSD-UHFFFAOYSA-N","10173796",NA,"PDBC36907","756341","Present"
-"GW780056X","","","","","","","","","","","","","","","","","","","","GW780056X","","CCN(CC)CC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3","DQKZVZRKPRQVEU-UHFFFAOYSA-N","10215776",NA,"PDBC36908","756342","Present"
-"GW780159X","","","","","","","","","","","","","","","","","","","","GW780159X","","C1=CC(=CC(=C1)Cl)C2=C(SC(=N2)N)C3=NC4=C(C=C3)N=CC=C4","JVXFJMXCRSAZFH-UHFFFAOYSA-N","11473228",NA,"PDBC36909","756343","Present"
-"GW781673X","","","","","","","","","","","","","","","","","","","","GW781673X","","C1=CC2=C(C=NN2N=C1)C3=NC(=NC=C3)NCC4=CC=C(C=C4)Cl","NEWXQDRWGLAOAY-UHFFFAOYSA-N","10125875",NA,"PDBC36910","756344","Present"
-"GW782612X","","","","","","","","","","","","","","","","","","","","GW782612X","","C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=CC=CC4=C3C=NN4)C(=O)N","NQHLFCVNEBJHOT-UHFFFAOYSA-N","24896610",NA,"PDBC36911","756345","Present"
-"GW782907X","","","","","","","","","","","","","","","","","","","","GW782907X","","CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)C3=CC=C(C=C3)C(=O)NCC4CC4","OALMGWWMKRZIDJ-UHFFFAOYSA-N","44578253",NA,"PDBC36912","756346","Present"
-"GW784307A","","","","","","","","","","","","","","","","","","","","GW784307A","","CN(C)CCNC(=O)C1=CC=C(C=C1)C=NNC2=C3C=NN(C3=NC=N2)C4=CC(=CC=C4)OC","PGJTVDLNKJZVEU-CCVNUDIWSA-N","9604962",NA,"PDBC36913","756348","Present"
-"GW784684X","","","","","","","","","","","","","","","","","","","","GW784684X","","CN1CCN(CC1)CC2=CC=C(O2)C3=CC4=C(S3)C(=NC=N4)NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl","MFBTVPWNHQVGPL-UHFFFAOYSA-N","44571449",NA,"PDBC36914","756349","Present"
-"GW785404X","","","","","","","","","","","","","","","","","","","","GW785404X","","CCN1C2=C(C=CC(=C2)F)N=C1C3=NON=C3N","CFCWMGRWMVZFQN-UHFFFAOYSA-N","10236195",NA,"PDBC36915","756351","Present"
-"GW785804X","","","","","","","","","","","","","","","","","","","","GW785804X","","C1=CC2=C(C=CC(=N2)C3=C(N=C(S3)N)C4=CC=C(C=C4)F)N=C1","WDANXJFHYRXNLL-UHFFFAOYSA-N","11290221",NA,"PDBC36916","756352","Present"
-"GW785974X","","","","","","","","","","","","","","","","","","","","GW785974X","","CC1=C(C=C(C=C1)C(=O)NC(C)C)C2=CC=C(C=C2)C(=O)NCC3CC3","HWUIKJWOZNTZQM-UHFFFAOYSA-N","44578254",NA,"PDBC36917","756353","Present"
-"GW794607X","","","","","","","","","","","","","","","","","","","","GW794607X","","CCCNC1=CC(=CC=C1)N2C3=NC=NC(=C3C=N2)NN=CC4=CC=NC=C4","UUZWUKJJOLIQMT-BRJLIKDPSA-N","9604926",NA,"PDBC36918","756355","Present"
-"GW794726X","","","","","","","","","","","","","","","","","","","","GW794726X","","CC(=O)NC1=CC=CC(=N1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","CNRXAYAWNNSNLT-UHFFFAOYSA-N","11627264",NA,"PDBC36919","756356","Present"
-"GW795486X","","","","","","","","","","","","","","","","","","","","GW795486X","","C1=CC(=CC=C1C2=COC3=NC=NC(=C23)N)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","VLTNUYNTYZRWQD-UHFFFAOYSA-N","23646936",NA,"PDBC36920","756357","Present"
-"GW795493X","","","","","","","","","","","","","","","","","","","","GW795493X","","C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=COC4=NC=NC(=C34)N)C(F)(F)F","LSVIBAPJYUUVJJ-UHFFFAOYSA-N","23646938",NA,"PDBC36921","756358","Present"
-"GW796920X","","","","","","","","","","","","","","","","","","","","GW796920X","","CC1=C(C=C(C=C1)NC(=O)CC2CC2)C3=CC=C(C=C3)C(=O)NCC4CC4","XWMDWGDDWKLDEH-UHFFFAOYSA-N","44578425",NA,"PDBC36922","756359","Present"
-"GW796921X","","","","","","","","","","","","","","","","","","","","GW796921X","","CCC(=O)NC1=CC(=C(C=C1)C)C2=CC=C(C=C2)C(=O)NCC3CC3","LOMWKXCERLJDPO-UHFFFAOYSA-N","44578401",NA,"PDBC36923","756360","Present"
-"GW799251X","","","","","","","","","","","","","","","","","","","","GW799251X","","C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC=C3C#CC4=NC(=NC=C4)N)Cl","WRXRFFUVXFNKGG-UHFFFAOYSA-N","11640889",NA,"PDBC36924","756361","Present"
-"GW801372X","","","","","","","","","","","","","","","","","","","","GW801372X","","COC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3)OC","XSJMSGALWUODPK-UHFFFAOYSA-N","11163861",NA,"PDBC36925","756362","Present"
-"GW804482X","","","","","","","","","","","","","","","","","","","","GW804482X","","COC1=CC=CC(=C1)COC2=C(SC(=C2)N3C=NC4=CC=CC=C43)C(=O)N","DSRCAFSFCNIHTE-UHFFFAOYSA-N","25263078",NA,"PDBC36926","756363","Present"
-"GW806290X","","","","","","","","","","","","","","","","","","","","GW806290X","","C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4","WIIIHAKKVLVGJX-UHFFFAOYSA-N","6539369",NA,"PDBC36927","756365","Present"
-"GW806742X","","","","","","","","","","","","","","","","","","","","GW806742X","","CN(C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N","SNRUTMWCDZHKKM-UHFFFAOYSA-N","5329829",NA,"PDBC36928","756366","Present"
-"GW806776X","","","","","","","","","","","","","","","","","","","","GW806776X","","C1CC1CNC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)NC4CC4","GTPHSWNKNONVOX-UHFFFAOYSA-N","44578563",NA,"PDBC36929","756367","Present"
-"GW807930X","","","","","","","","","","","","","","","","","","","","GW807930X","","CC(=O)NCC1=CC(=CC=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","IWKYADYEFPLAEG-UHFFFAOYSA-N","11605761",NA,"PDBC36930","756368","Present"
-"GW809885X","","","","","","","","","","","","","","","","","","","","GW809885X","","CC1=NN(C2=NC=NC(=C12)NN=C(C)C3=CC=NC=C3)C4=CC(=CC=C4)OC","MMXTYLZRZDGJDX-ZMOGYAJESA-N","9604970",NA,"PDBC36931","756370","Present"
-"GW809897X","","","","","","","","","","","","","","","","","","","","GW809897X","","CN(C1=CC=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl)C3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)C","NXPQZPWXVHIWGN-UHFFFAOYSA-N","5329831",NA,"PDBC36932","756371","Present"
-"GW813360X","","","","","","","","","","","","","","","","","","","","GW813360X","","COC1=CC=CC(=C1)N2C=NC3=C(N=CN=C32)NN=CC4=CC=NC=C4","VARGUUBRJVQGHK-AUEPDCJTSA-N","9604915",NA,"PDBC36933","756376","Present"
-"GW814408X","","","","","","","","","","","","","","","","","","","","GW814408X","","COC1=CC=CC(=C1)C2=CNC3=C2N=CN=C3NN=CC4=CC=NC=C4","YMOZGQKWFWKZJV-YSURURNPSA-N","9604912",NA,"PDBC36934","756377","Present"
-"GW817394X","","","","","","","","","","","","","","","","","","","","GW817394X","","COC1=CC=CC(=C1)N2C3=NC=NC(=C3C=N2)NN=CC4=CC(=CC=C4)F","FYLWAIJQFCKHDH-AUEPDCJTSA-N","9604922",NA,"PDBC36935","756378","Present"
-"GW817396X","","","","","","","","","","","","","","","","","","","","GW817396X","","COC1=CC=CC(=C1)N2C3=NC=NC(=C3C=N2)NN=CC4=CC=C(C=C4)F","RAOQCDVBADRLDK-AUEPDCJTSA-N","9604943",NA,"PDBC36936","756379","Present"
-"GW819230X","","","","","","","","","","","","","","","","","","","","GW819230X","","CC1=CC=C(C=C1)C2=CC3=C(N=CN=C3O2)NC(=O)C4CC4","NITFTDTXTHHURN-UHFFFAOYSA-N","6539751",NA,"PDBC36937","756381","Present"
-"GW827099X","","","","","","","","","","","","","","","","","","","","GW827099X","","C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4C6=CC=C(C=C6)F","VCIUEFSUNSUNPA-UHFFFAOYSA-N","6539409",NA,"PDBC36938","756384","Present"
-"GW827102X","","","","","","","","","","","","","","","","","","","","GW827102X","","C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4C6=CC(=CC=C6)C(F)(F)F","OIPORLPSIAFDJE-UHFFFAOYSA-N","6539422",NA,"PDBC36939","756385","Present"
-"GW827105X","","","","","","","","","","","","","","","","","","","","GW827105X","","COC1=CC=C(C=C1)C2=NN3C(=C2C4=NC(=NC=C4)NC5=CC=CC(=C5)C(F)(F)F)C=CC=N3","BWBYKJFTJZIURF-UHFFFAOYSA-N","6539411",NA,"PDBC36940","756386","Present"
-"GW827106X","","","","","","","","","","","","","","","","","","","","GW827106X","","COC1=CC=C(C=C1)C2=NN3C(=C2C4=NC(=NC=C4)NC5=CC6=C(C=C5)OCCO6)C=CC=N3","PHMQSKGFSDGFMK-UHFFFAOYSA-N","6539414",NA,"PDBC36941","756387","Present"
-"GW827396X","","","","","","","","","","","","","","","","","","","","GW827396X","","COC1=CC=C(C=C1)C2=NN3C(=C2C4=NC(=NC=C4)NC5=CC(=C(C=C5)F)F)C=CC=N3","LKJHBVBZNPEUNP-UHFFFAOYSA-N","6539412",NA,"PDBC36942","756388","Present"
-"GW828525X","","","","","","","","","","","","","","","","","","","","GW828525X","","C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4C6=CC=C(C=C6)C(F)(F)F","MQWZYEDJGHLFFI-UHFFFAOYSA-N","6539418",NA,"PDBC36943","756389","Present"
-"GW828529X","","","","","","","","","","","","","","","","","","","","GW828529X","","C1=CC2=C(C(=NN2N=C1)C3=CC=C(C=C3)C(F)(F)F)C4=NC(=NC=C4)NC5=CC(=C(C=C5)F)F","KLEPBNXGYXGZGI-UHFFFAOYSA-N","6539417",NA,"PDBC36944","756390","Present"
-"GW829055X","","","","","","","","","","","","","","","","","","","","GW829055X","","C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3C5=CC=C(C=C5)Cl","KFMDNTIUGNJKPB-UHFFFAOYSA-N","6539424",NA,"PDBC36945","756391","Present"
-"GW829115X","","","","","","","","","","","","","","","","","","","","GW829115X","","COC1=CC=C(C=C1)C2=NN3C(=C2C4=NC(=NC=C4)NC5=CC(=C(C=C5)Cl)C(F)(F)F)C=CC=N3","WFOPNLUSQIIBIX-UHFFFAOYSA-N","6539413",NA,"PDBC36946","756392","Present"
-"GW829874X","","","","","","","","","","","","","","","","","","","","GW829874X","","COC1=CC=CC(=C1)C=NNC2=C3C=NN(C3=NC=N2)C4=CC(=CC=C4)OC","AWYYOUZTURFIFO-FOKLQQMPSA-N","9604940",NA,"PDBC36947","756393","Present"
-"GW829877X","","","","","","","","","","","","","","","","","","","","GW829877X","","CC1=CC=C(C=C1)C=NNC2=C3C=NN(C3=NC=N2)C4=CC(=CC=C4)OC","QRNLICFNSFQHBO-FOKLQQMPSA-N","9604958",NA,"PDBC36948","756394","Present"
-"GW829906X","","","","","","","","","","","","","","","","","","","","GW829906X","","CC1=NN2C(=C(C(=N2)C3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)C(F)(F)F)C=C1","YYNPIMSTDPEJPS-UHFFFAOYSA-N","6539430",NA,"PDBC36949","756395","Present"
-"GW830263A","","","","","","","","","","","","","","","","","","","","GW830263A","","CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N(C)C4=NC(=NC=C4)NC5=CC=C(C=C5)CS(=O)(=O)C","AHDFVTJYNGXCEO-UHFFFAOYSA-N","5329842",NA,"PDBC36950","756396","Present"
-"GW831090X","","","","","","","","","","","","","","","","","","","","GW831090X","","C1=CC(=CC(=C1)O)C2=CC(=NN2)NC3=CC=C(C=C3)S(=O)(=O)N","PVLOKYREDKFWTF-UHFFFAOYSA-N","6539620",NA,"PDBC36951","756399","Present"
-"GW833373X","","","","","","","","","","","","","","","","","","","","GW833373X","","CC1=NN2C(=C(C(=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5=CC=CC=C5)C=C1","QKEWQKWUSAUMEH-UHFFFAOYSA-N","6539440",NA,"PDBC36952","756402","Present"
-"GW837331X","","","","","","","","","","","","","","","","","","","","GW837331X","","CC1=C2C=NC(=NN2C(=N1)C3=CC(=CC=C3)C(F)(F)F)NC4=CC(=C(C(=C4)OC)OC)OC","FGUYNCHKIOFPMS-UHFFFAOYSA-N","11328632",NA,"PDBC36953","756403","Present"
-"GW846105X","","","","","","","","","","","","","","","","","","","","GW846105X","","C1CC2=C(N(C1)C(=O)C3CC3)SC(=C2C#N)NC(=O)C4=CC=CC5=CC=CC=C54","KTBZRPANEUUZDW-UHFFFAOYSA-N","16664858",NA,"PDBC36954","756405","Present"
-"GW852849X","","","","","","","","","","","","","","","","","","","","GW852849X","","COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4Cl)OC","WRWFZZDBIJLBIJ-UHFFFAOYSA-N","25263092",NA,"PDBC36955","756406","Present"
-"GW853606X","","","","","","","","","","","","","","","","","","","","GW853606X","","C1=CC=C(C(=C1)COC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)C(F)(F)F)C(=O)N)Br","LOKKVFGDJAVMLU-UHFFFAOYSA-N","25263088",NA,"PDBC36956","756407","Present"
-"GW853609X","","","","","","","","","","","","","","","","","","","","GW853609X","","C1=CC=C(C(=C1)COC2=C(SC(=C2)N3C=NC4=C3C=CC(=C4)C(F)(F)F)C(=O)N)Br","BXJGJFDHPWFFFF-UHFFFAOYSA-N","25263087",NA,"PDBC36957","756408","Present"
-"GW856804X","","","","","","","","","","","","","","","","","","","","GW856804X","","C1=CC(=CC(=C1)S(=O)(=O)N)C2=CN=C(C3=C2SC=C3C4=CC(=C(C=C4)F)Cl)N","PILHXMMEJPSZLL-UHFFFAOYSA-N","11281930",NA,"PDBC36958","756409","Present"
-"GW861893X","","","","","","","","","","","","","","","","","","","","GW861893X","","CC1=C2C=NC(=NN2C(=N1)C3=CC(=CC=C3)OC4=CC=CC=C4)NC5=CC(=C(C(=C5)OC)OC)OC","UYDANWBUSABCEA-UHFFFAOYSA-N","11155941",NA,"PDBC36959","756410","Present"
-"GW869810X","","","","","","","","","","","","","","","","","","","","GW869810X","","C1COCCN1C(=O)OC2CC(NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl","NKOJMDRKLJSOJR-FYYLOGMGSA-N","11284937",NA,"PDBC36960","756411","Present"
-"GW874091X","","","","","","","","","","","","","","","","","","","","GW874091X","","CC1=C2C=NC(=NN2C(=N1)C3=CC=CC=C3)NCCCN4CCOCC4","IFOFHKDVJCOAMH-UHFFFAOYSA-N","44589696",NA,"PDBC36961","756412","Present"
-"GW876790X","","","","","","","","","","","","","","","","","","","","GW876790X","","CCN1C2=C(C=NC=C2C(=O)NCCNC)N=C1C3=NON=C3N","RIIYKHQJSKRYKG-UHFFFAOYSA-N","25023715",NA,"PDBC36962","756413","Present"
-"GYJSTKRYMHRILW-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","GYJSTKRYMHRILW-UHFFFAOYSA-N","","COS(=O)C1=C(C(=CC(=C1)Cl)Cl)OC(=O)CSSCC(=O)OC2=C(C=C(C=C2Cl)Cl)S(=O)OC","GYJSTKRYMHRILW-UHFFFAOYSA-N","361229",NA,"PDBC36963","624186","Present"
-"Gab-geldanamycin","","","","","","","","","","","","","","","","","","","","GAB-GELDANAMYCIN","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)OC(=O)CCCN)OC.Cl","OCAQDDOOJYSCSS-QQPNBYHTSA-N","5467747",NA,"PDBC36964","658514","Present"
-"Galactose 1-phosphate","","","","","","","","","","","","","","","","","","","","GLUCOSE-L-PHOSPHATE","","C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O","HXXFSFRBOHSIMQ-UHFFFAOYSA-N","466",NA,"PDBC36965","44138","Present"
-"Galactosyl rubrofusarin","","","","","","","","","","","","","","","","","","","","GALACTOSYL RUBROFUSARIN","","CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)OC4C(C(C(C(O4)CO)O)O)O)O","CDMUGCVTTUOCFT-UHFFFAOYSA-N","332770",NA,"PDBC36966","331933","Present"
-"Galantamin","","","","","","","","","","","","","","","","","","","","jilkon","","CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O","ASUTZQLVASHGKV-UHFFFAOYSA-N","3449",NA,"PDBC36967","100058","Present"
-"Galegine sulfate","","","","","","","","","","","","","","","","","","","","galegine","","CC(=CCN=C(N)N)C.OS(=O)(=O)O","IMNZDWZLEPDBAP-UHFFFAOYSA-N","88460",NA,"PDBC36968","76016","Present"
-"Galiellalactone","","","","","","","","","","","","","","","","","","","","NSC645020","","CC1CC2CCC3C2(C(=C1)C(=O)O3)O","SOIISBQQYAGDKM-VFYMIVFZSA-N","6711856",NA,"PDBC36969","645020","Present"
-"Gallamine Blue","","","","","","","","","","","","","","","","","","","","gallamine blue","","CN(C)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)[NH3+].[Cl-]","KNNFENIIZCXFDO-UHFFFAOYSA-N","135436514",NA,"PDBC36970","8643","Present"
-"Gallicodazole","","","","","","","","","","","","","","","","","","","","Gallicodazole","","COC1=C(C(=C2C(=C1)NC(=N2)NC(=O)OC)OC)OC","XFMZIDADRVOJKW-UHFFFAOYSA-N","343115",NA,"PDBC36971","382103","Present"
-"Gallidermin","","","","","","","","","","","","","","","","","","","","Gallidermin","","CCC(C)C(C(=O)NC(C)C(=O)NC1CSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCCCN)CC2=CC=CC=C2)CC(C)C)C(=O)NC3C(SCC(NC(=O)CNC(=O)C4CCCN4C3=O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(=CC)C(=O)NCC(=O)NC5CSCC6C(=O)NC=CSCC(C(=O)NC(C(=O)N6)CC7=CC=C(C=C7)O)NC(=O)C(NC(=O)C(NC5=O)CC8=CC=CC=C8)CC(=O)N)C)N","AHMZTHYNOXWCBS-NOYMNTDDSA-N","54608115",NA,"PDBC36972","629451","Present"
-"Gallium, dimethyl(8-quinolinolato-N1,O8)-, (T-4)-","","","","","","","","","","","","","","","","","","","","Gallium, dimethyl(8-quinolinolato-N1,O8)-, (T-4)-","","","","",NA,"PDBC36973","165697","Present"
-"Gallium;pentane-2,4-dione","","","","","","","","","","","","","","","","","","","","Tris(2,4-pentanedionato)gallium(III)","","CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ga+3]","IMMRYVXLCAMRNK-UHFFFAOYSA-N","365227",NA,"PDBC36974","632569","Present"
-"Gallocyanine","","","","","","","","","","","","","","","","","","","","gallocyanin","","CN(C)C1=CC2=C(C=C1)[NH+]=C3C(=CC(=O)C(=C3O2)O)C(=O)O.[Cl-]","AQSOTOUQTVJNMY-UHFFFAOYSA-N","73801",NA,"PDBC36975","103779","Present"
-"Gamabufotalin rhamnoside","","","","","","","","","","","","","","","","","","","","Gamabufotalin rhamnoside","","CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=COC(=O)C=C6)O)C)O)C)O)O)O","MOHPUIQBYKQHCJ-JEAUJHOTSA-N","155813061",NA,"PDBC36976","762848","Present"
-"Gamitrinib-G4","","","","","","","","","","","","","","","","","","","","Gamitrinib-G4","","","","",NA,"PDBC36977","749924","Present"
-"Garcinisidone A","","","","","","","","","","","","","","","","","","","","Garcinisidone-A","","CC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C(=C3)O)OC)CC=C(C)C)OC2=O)O)C","JPVHNMSADPDREY-UHFFFAOYSA-N","10741092",NA,"PDBC36978","752808","Present"
-"Gardenin A","","","","","","","","","","","","","","","","","","","","Gardenin","","COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O","MQBFFYQCZCKSBX-UHFFFAOYSA-N","261859",NA,"PDBC36979","94889","Present"
-"Gardenin B","","","","","","","","","","","","","","","","","","","","gardenin b","","COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O","LXEVSYZNYDZSOB-UHFFFAOYSA-N","96539",NA,"PDBC36980","79093","Present"
-"Gastrografin","","","","","","","","","","","","","","","","","","","","Diatrizoate Sodium","","CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.[Na+]","ZEYOIOAKZLALAP-UHFFFAOYSA-N","23617235",NA,"PDBC36981","61815","Present"
-"Gdc-0077","","","","","","","","","","","","","","","","","","","","GDC-0077","","CC(C(=O)N)NC1=CC2=C(C=C1)C3=NC(=CN3CCO2)N4C(COC4=O)C(F)F","SGEUNORSOZVTOL-CABZTGNLSA-N","124173720",NA,"PDBC36982","800729","Present"
-"Gdc-0084","","","","","","","","","","","","","","","","","","","","GDC-0084","","CC1(C2=NC3=C(N2CCO1)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N)C","LGWACEZVCMBSKW-UHFFFAOYSA-N","57384863",NA,"PDBC36983","792987","Present"
-"Gdc-0623","","","","","","","","","","","","","","","","","","","","NSC778590///GDC-0623","","C1=CC(=C(C=C1I)F)NC2=C(C=CC3=CN=CN32)C(=O)NOCCO","RFWVETIZUQEJEF-UHFFFAOYSA-N","42642654",NA,"PDBC36984","778590///800998","Present"
-"Gedunine","","","","","","","","","","","","","","","","","","","","Gedunin","","CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C","YJXDGWUNRYLINJ-UHFFFAOYSA-N","3458",NA,"PDBC36985","113497","Present"
-"Geijerin","","","","","","","","","","","","","","","","","","","","Geijerin","","CC(C)CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC","ZXVIZFSHTAUXCC-UHFFFAOYSA-N","235195",NA,"PDBC36986","36293","Present"
-"Geiparvarin","","","","","","","","","","","","","","","","","","","","geiparvin","","CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C3=CC(=O)C(O3)(C)C","OUTLLBZGJYDUQE-XYOKQWHBSA-N","5910585",NA,"PDBC36987","142227","Present"
-"Geldanamycin, 12-(3-aminopropionate)-monohydrochloride","","","","","","","","","","","","","","","","","","","","2-azabicyclo[16.3.1]docosane, geldanamycin deriv.","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)OC(=O)CCN)OC.Cl","YKCIAJUVFDCWAH-AUANKTHDSA-N","5468001",NA,"PDBC36988","661581","Present"
-"GemMP[10]","","","","","","","","","","","","","","","","","","","","gemmp[10]","","C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO[P+](=O)OC3C(OC(C3(F)F)N4C=CC(=NC4=O)N)CO[P+](=O)OC5C(OC(C5(F)F)N6C=CC(=NC6=O)N)CO[P+](=O)OC7C(OC(C7(F)F)N8C=CC(=NC8=O)N)CO[P+](=O)OC9C(OC(C9(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO)O)(F)F","YGWQAZCOAPWRBC-UHFFFAOYSA-W","16129935",NA,"PDBC36989","708070","Present"
-"Gemcitabine elaidate","","","","","","","","","","","","","","","","","","","","Gemcitabine elaidate","","CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(F)F)O","HESSNRGIEVBPRB-QDDPNBLJSA-N","9828310",NA,"PDBC36990","765775","Present"
-"Geninthiocin","","","","","","","","","","","","","","","","","","","","Geninthiocin","","CC=C1C2=NC(=CO2)C(=O)NC(=C)C(=O)NC(C(=O)NC(=C)C3=NC(=C(O3)C)C(=O)NC(=C)C(=O)NC(=C)C4=NC(=CO4)C5=C(C=CC(=N5)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C6=NC(=CS6)C(=O)NC(C(=O)N1)C(C)O)C(C)(C)O","JNUIXQXFKIJDIV-KFVMYCOKSA-N","16129911",NA,"PDBC36991","676674","Present"
-"Genistoside","","","","","","","","","","","","","","","","","","","","genistoside","","C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O","ZCOLJUOHXJRHDI-UHFFFAOYSA-N","5284639",NA,"PDBC36992","5112","Present"
-"Gentian violet","","","","","","","","","","","","","","","","","","","","NSC3090///NSC757050","","CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]","ZXJXZNDDNMQXFV-UHFFFAOYSA-M","11057",NA,"PDBC36993","3090///757050","Present"
-"Gentianidine","","","","","","","","","","","","","","","","","","","","Gentianidine","","CC1=CC2=C(C=N1)C(=O)OCC2","KFJQLAOTTSPBMT-UHFFFAOYSA-N","362908",NA,"PDBC36994","627383","Present"
-"Geodiamolide A","","","","","","","","","","","","","","","","","","","","Geodiamolide A","","CC1CC(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)I)C)C","QMYRWKWZINECMT-GDNBJRDFSA-N","5469060",NA,"PDBC36995","682308","Present"
-"Geodiamolide B","","","","","","","","","","","","","","","","","","","","Geodiamolide B","","CC1CC(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)Br)C)C","QYMMTIVLYXHSHK-SVSKSJJFSA-N","5469013",NA,"PDBC36996","681481","Present"
-"Geodiamolide D","","","","","","","","","","","","","","","","","","","","Geodiamolide D","","CC1CC(OC(=O)C(NC(=O)C(N(C(=O)CNC(=O)C(CC(=C1)C)C)C)CC2=CC(=C(C=C2)O)I)C)C","OXZSDRMSCOSPIT-DHDCSXOGSA-N","5469061",NA,"PDBC36997","682309","Present"
-"Geodiamolide E","","","","","","","","","","","","","","","","","","","","Geodiamolide E","","CC1CC(OC(=O)C(NC(=O)C(N(C(=O)CNC(=O)C(CC(=C1)C)C)C)CC2=CC(=C(C=C2)O)Br)C)C","INYUFROKXKFBJE-DMRKTBTMSA-N","5469059",NA,"PDBC36998","682307","Present"
-"Georgia Blue","","","","","","","","","","","","","","","","","","","","Ink Blue PP","","C1=CC(=C(C=C1N=NC2=C(C3=C(C=C2)C(=CC(=C3N)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O.[Na+]","YDXDLXHWUFRUQU-SGSPRHBESA-N","135421916",NA,"PDBC36999","34579","Present"
-"Geraniol","","","","","","","","","","","","","","","","","","","","Geraniol","","CC(=CCCC(=CCO)C)C","GLZPCOQZEFWAFX-JXMROGBWSA-N","637566",NA,"PDBC37000","9279","Present"
-"Germa-2,3-dibutanol","","","","","","","","","","","","","","","","","","","","Germa-2,3-dibutanol","","","","",NA,"PDBC37001","648332","Present"
-"Germacatechol","","","","","","","","","","","","","","","","","","","","Germacatechol","","","","",NA,"PDBC37002","648331","Present"
-"Germanium Sodium Malate","","","","","","","","","","","","","","","","","","","","Germanium Sodium Malate","","","","",NA,"PDBC37003","619326","Present"
-"Gersemolide","","","","","","","","","","","","","","","","","","","","gersemolide","","CC1=CC(=O)C(C2C=C(CCC(CC1=O)C(=C)C)C(=O)O2)C(=C)C","YEBDNBDBHUUVGR-OSGWYAKPSA-N","12000066",NA,"PDBC37004","726175","Present"
-"Gichigamin A","","","","","","","","","","","","","","","","","","","","Gichigamin A","","CCC(C)(C(=O)NCCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NCCC(=O)NCO)NC(=O)C(C)NC(=O)CCNC(=O)C(C)(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(C)(CC)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(C)(C)NC(=O)C4CCCN4C(=O)C(C)(C)NC(=O)C","HSGHAUATLWSEIF-XKWKRSCCSA-N","155810256",NA,"PDBC37005","783218","Present"
-"Gigantrionenin","","","","","","","","","","","","","","","","","","","","Gigantrionenin","","CCCCCCCCCCCCC=CCCC(C(CCC(C1CCC(O1)CCCCCCCC2=CC(OC2=O)C)O)O)O","HASWAOYLTAODRS-VKJZEEHVSA-N","5470005",NA,"PDBC37006","695398","Present"
-"Gilvocarcin V","","","","","","","","","","","","","","","","","","","","Gilvocarcin V","","CC(C1C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)O)O","XCWHINLKQMCRON-UHFFFAOYSA-N","334288",NA,"PDBC37007","348115","Present"
-"Gimatecan","","","","","","","","","","","","","","","","","","","","Gimatecan","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NOC(C)(C)C)O","UIVFUQKYVFCEKJ-OPTOVBNMSA-N","9577124",NA,"PDBC37008","793724","Present"
-"Ginseng","","","","","","","","","","","","","","","","","","","","Prosapogenin","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)C)C2C1)CO)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C","YDQIRODFTJGGMP-UHFFFAOYSA-N","420552",NA,"PDBC37009","124670","Present"
-"Ginsenoside A1","","","","","","","","","","","","","","","","","","","","Ginsenoside A1","","","","",NA,"PDBC37010","308874","Present"
-"Ginsenoside A2","","","","","","","","","","","","","","","","","","","","DIHYDROXYDAMMARENE GLUCOSIDE DERIV","","CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C","YURJSTAIMNSZAE-UHFFFAOYSA-N","432116",NA,"PDBC37011","303791","Present"
-"Ginsenoside Rd mixture with ginsenoside Re","","","","","","","","","","","","","","","","","","","","ginsenoside rd","","CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O.CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C","UQTMOOJLGMIUSE-UHFFFAOYSA-N","432447",NA,"PDBC37012","308876","Present"
-"Ginsenoside Rg1 mixture with ginsenoside A1","","","","","","","","","","","","","","","","","","","","ginsenoside rg1","","CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C6(CCC(O6)C(C)(C)O)C)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O.CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C","MVCNDBCNAOAFGD-YAZVVNPJSA-N","328775",NA,"PDBC37013","308875","Present"
-"Ginsenoside Rh2","","","","","","","","","","","","","","","","","","","","Ginsenoside Rh2","","CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)O)C","CKUVNOCSBYYHIS-GCAZOTEOSA-N","404133",NA,"PDBC37014","720257","Present"
-"Giredestrant","","","","","","","","","","","","","","","","","","","","Giredestrant","","CC1CC2=C(C(N1CC(CO)(F)F)C3=C(C=C(C=C3F)NC4CN(C4)CCCF)F)NC5=CC=CC=C25","GQCXHIKRWBIQMD-AKJBCIBTSA-N","121410806",NA,"PDBC37015","827275","Present"
-"Girolline","","","","","","","","","","","","","","","","","","","","Girolline","","C1=C(NC(=N1)N)C(C(CN)Cl)O","YILCGOCHVFQMTC-UHFFFAOYSA-N","362388",NA,"PDBC37016","626159","Present"
-"Gitogenin 3-O-{O-alpha-L-rhamnopyranosyl-(1->2)-O-beta-D-galactopyranoside}","","","","","","","","","","","","","","","","","","","","Gitogenin 3-O-{O-.alpha.-L-rhamnopyranosyl-(1->2)-O-.bet...","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)C)OC1","KHIZMXXBPIYCQP-DIVIFJLOSA-N","398981",NA,"PDBC37017","709380","Present"
-"Gitoxigenin","","","","","","","","","","","","","","","","","","","","gitoxigenin","","CC12CCC(CC1CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)O)O)C)O","PVAMXWLZJKTXFW-VQMOFDJESA-N","348482",NA,"PDBC37018","407807","Present"
-"Gitoxoside","","","","","","","","","","","","","","","","","","","","gitoxim","","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)O)O)C)C)C)C)O)O","LKRDZKPBAOKJBT-UHFFFAOYSA-N","261947",NA,"PDBC37019","95099","Present"
-"Glasdegib","","","","","","","","","","","","","","","","","","","","PF-04449913","","CN1CCC(CC1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N","SFNSLLSYNZWZQG-VQIMIIECSA-N","25166913",NA,"PDBC37020","775772","Present"
-"Glaucarubinone","","","","","","","","","","","","","","","","","","","","glaucarubinone","","CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C)O","WRBGCYVAJRRQKP-STDAJNJZSA-N","441796",NA,"PDBC37021","132791","Present"
-"Glaucarubol","","","","","","","","","","","","","","","","","","","","Glaucarubol","","CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(C5O)O)C)C)O)O","YJIBLZYQKYKXFP-UHFFFAOYSA-N","225484",NA,"PDBC37022","14974","Present"
-"Glaucarubolone","","","","","","","","","","","","","","","","","","","","Glaucarubolone","","CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)O","FJHVIRYYVWNHSM-FOSMHHDRSA-N","441797",NA,"PDBC37023","126764","Present"
-"Glaziovine","","","","","","","","","","","","","","","","","","","","suavedol","","CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC","PNJUPRNTSWJWAX-UHFFFAOYSA-N","65631",NA,"PDBC37024","141545","Present"
-"Gld-91-III","","","","","","","","","","","","","","","","","","","","GELDANAMYCIN, N,N'-DIMETHYL","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)N(C2=CC(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)NC)C)C)O)OC","JBZNHISLXXXJTM-HXUBOIOCSA-N","24199494",NA,"PDBC37025","330512","Present"
-"Glechomafuran","","","","","","","","","","","","","","","","","","","","GLECHOMAFURAN","","CC1=COC2=C1CC3C(O3)(CCC4C(C2)(O4)C)C","FNQFNSGVMLMZNV-UHFFFAOYSA-N","100215",NA,"PDBC37026","380468","Present"
-"Glesatinib","","","","","","","","","","","","","","","","","","","","MGCD-265","","COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=C(C=C5)F)F","YRCHYHRCBXNYNU-UHFFFAOYSA-N","25181472",NA,"PDBC37027","791059","Present"
-"Glossypol dioxime deriv.","","","","","","","","","","","","","","","","","","","","NSC788872","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NO)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=NO)O)O)C(C)C)O)O","UMROJVTVEZTZQH-BQVZVJNFSA-N","135483714",NA,"PDBC37028","788872","Present"
-"Gloxazone","","","","","","","","","","","","","","","","","","","","gloxazon","","CCOC(C)C(=NNC(=S)N)C=NNC(=S)N","ARIFZLJIERKKEL-RYYWOMKVSA-N","9571200",NA,"PDBC37029","82116","Present"
-"Gluconic acid, barium salt","","","","","","","","","","","","","","","","","","","","GLUCONIC ACID, BARIUM SALT","","C(C(C(C(C(C(=O)O)O)O)O)O)O.[Ba+2]","MCLZYIDQYSMHKE-UHFFFAOYSA-N","5351603",NA,"PDBC37030","1945","Present"
-"Glutamamide,stereoisomer","","","","","","","","","","","","","","","","","","","","Glutamamide, N-acetyl-1-O-(phenylmethyl)-.alpha.-muramoy...","","CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","ONZWDOVVVUQSFL-UHFFFAOYSA-N","388674",NA,"PDBC37031","683692","Present"
-"Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-","","","","","","","","","","","","","","","","","","","","Monobromomethotrexate","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)Br","RVHHUTDEYCUBRL-UHFFFAOYSA-N","418099",NA,"PDBC37032","98580","Present"
-"Glycerite","","","","","","","","","","","","","","","","","","","","TANNIC ACID","","C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O","LRBQNJMCXXYXIU-NRMVVENXSA-N","16134267",NA,"PDBC37033","758670","Present"
-"Glycinamide, N-[(1,1-dimethylethoxy)carbonyl]-4-nitrophenylalanyl-N1-ethyl-","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate","","CCNC(=O)CNC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C","XUNVBHHUSDAFAN-UHFFFAOYSA-N","382189",NA,"PDBC37034","669648","Present"
-"Glycine, N-9-acridinyl-","","","","","","","","","","","","","","","","","","","","N-9-Acridinylglycine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCC(=O)O","KWTFIXMUBIMLGT-UHFFFAOYSA-N","148741",NA,"PDBC37035","627735","Present"
-"Glycine, dicyclohexylamine salt","","","","","","","","","","","","","","","","","","","","Glycine, N-[N-[[(4-methoxyphenyl)azo]carbonyl]-L-leucyl]...","","CC(C)CC(C(=O)NCC(=O)O)NC(=O)N=NC1=CC=C(C=C1)OC.C1CCC(CC1)NC2CCCCC2","WSHDDMPTBCULEO-UHFFFAOYSA-N","386431",NA,"PDBC37036","678401","Present"
-"Glycochenodeoxycholic acid, sodium salt","","","","","","","","","","","","","","","","","","","","glycochenodeoxycholic acid, sodium salt (7ci)","","CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]","AAYACJGHNRIFCT-YRJJIGPTSA-N","54608510",NA,"PDBC37037","681056","Present"
-"Glycoprotein isolated from Dunaliella salina and consist...","","","","","","","","","","","","","","","","","","","","Glycoprotein isolated from Dunaliella salina and consist...","","","","",NA,"PDBC37038","678111","Present"
-"Glycyl-DL-serine","","","","","","","","","","","","","","","","","","","","NSC163326","","C(C(C(=O)O)NC(=O)CN)O","BCCRXDTUTZHDEU-UHFFFAOYSA-N","102466",NA,"PDBC37039","163326","Present"
-"Glycylaminophenylbenzoylurea (HCl salt)","","","","","","","","","","","","","","","","","","","","Glycylaminophenylbenzoylurea (HCl salt)","","CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)CN)OC3=NC=C(C=N3)Br.Cl","ZMRUVPSSBFAZBL-UHFFFAOYSA-N","375119",NA,"PDBC37040","654259","Present"
-"Glycyrrhetinic acid","","","","","","","","","","","","","","","","","","","","biosone","","CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C","MPDGHEJMBKOTSU-UHFFFAOYSA-N","3230",NA,"PDBC37041","35347","Present"
-"Glyhexamide","","","","","","","","","","","","","","","","","","","","subose","","C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC3=C(CCC3)C=C2","NFRPNQDSKJJQGV-UHFFFAOYSA-N","9953",NA,"PDBC37042","106960","Present"
-"Glyo-I","","","","","","","","","","","","","","","","","","","","Glyo-I","","CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2)CO)CO)O)CC=C(C)C)O)O","WTZUCTQSBSDSRG-UHFFFAOYSA-N","100450",NA,"PDBC37043","302378","Present"
-"Glyoxalase I inhibitor","","","","","","","","","","","","","","","","","","","","Ethyl 2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride","","CCOC(=O)CNC(=O)C(CSC(=O)N(C1=CC=C(C=C1)Br)O)NC(=O)CCC(C(=O)OCC)N.Cl","HFQRZRCYYQCUIG-UHFFFAOYSA-N","392752",NA,"PDBC37044","693570","Present"
-"Glyphosate","","","","","","","","","","","","","","","","","","","","roundup","","C(C(=O)O)NCP(=O)(O)O","XDDAORKBJWWYJS-UHFFFAOYSA-N","3496",NA,"PDBC37045","151063","Present"
-"Gnidimacrin (G-1)","","","","","","","","","","","","","","","","","","","","Gnidimacrin (G-1)","","CC1CCCCCCC(C23OC4C5C6C(O6)(C(C7(C(C1C(C7OC(=O)C8=CC=CC=C8)C)C5(O2)C(CC4(O3)C(=C)C)COC(=O)C9=CC=CC=C9)O)O)CO)O","SSXCVTWCXHGTLK-UHFFFAOYSA-N","429314",NA,"PDBC37046","252940","Present"
-"Go-6976","","","","","","","","","","","","","","","","","Go6976","","","","","","","3501",NA,"PDBC37047","","Absent"
-"Go-Y019","","","","","","","","","","","","","","","","","","","","Go-Y019","","COC1=CC=CC=C1C=CC(=O)C=CC2=CC=CC=C2OC","RCZMPCUUTSDNAJ-PHEQNACWSA-N","830608",NA,"PDBC37048","97906","Present"
-"Go-Y103","","","","","","","","","","","","","","","","","","","","Go-Y103","","COC1=CC(=C(C=C1)C=CC(=O)C=CC2=C(C=C(C=C2)OC)OC)OC","KSZJPQHIPKEEMF-NXZHAISVSA-N","1352182",NA,"PDBC37049","677240","Present"
-"Gold(1+),3,4,6-tetraacetato-S:S)]bis(triethylphosphine)di-, chloride","","","","","","","","","","","","","","","","","","","","Gold (1+), [.mu.-(1-thio-.beta.-D-glucopyranose-2,3,4,6-...","","CC[PH+](CC)CC.CC[PH+](CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au].[Au]","WIDYMGFHNKRNJY-UHFFFAOYSA-O","6400213",NA,"PDBC37050","313990","Present"
-"Gold(1+);5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium","","","","","","","","","","","","","","","","","","","","Gold, [.mu.-(5,5'-bi-1H-tetrazolato(2-)-N1:N1')]bis(trip...","","C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1(=NN=N[N-]1)C2=NN=N[N-]2.[Au+].[Au+]","SQKWSYIYFMNLOK-UHFFFAOYSA-P","6333597",NA,"PDBC37051","274547","Present"
-"Gold(1+);5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium","","","","","","","","","","","","","","","","","","","","Gold, [.mu.-[[5,5'-methylenebis[1H-tetrazolato]](2-)-N(1...","","C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C(C1=NN=N[N-]1)C2=NN=N[N-]2.[Au+].[Au+]","KXYJYWGJYDJXRA-UHFFFAOYSA-P","6333598",NA,"PDBC37052","274548","Present"
-"Gold(1+);5-(trifluoromethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium","","","","","","","","","","","","","","","","","","","","Gold(1+);5-(trifluoromethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium","","C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1(=NN=N[N-]1)C(F)(F)F.[Au+]","GXJICUCRGZSYSO-UHFFFAOYSA-O","6333596",NA,"PDBC37053","274544","Present"
-"Gold(1+);imidazol-3-ide;triphenylphosphanium","","","","","","","","","","","","","","","","","","","","NSC652536","","C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CN=C[N-]1.[Au+]","KFHKEAGUNAAEOV-UHFFFAOYSA-O","6331140",NA,"PDBC37054","652536","Present"
-"Gold(1+);methyl-(1-methyltetrazol-5-yl)azanide;triphenylphosphanium","","","","","","","","","","","","","","","","","","","","Gold(1+);methyl-(1-methyltetrazol-5-yl)azanide;triphenylphosphanium","","C[N-]C1=NN=NN1C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]","KHGLILQBUOHVDR-UHFFFAOYSA-O","6333600",NA,"PDBC37055","274551","Present"
-"Gold, (2,3-dihydro-2-thioxo-4(1H)-pyrimidinonato-S)(trip...","","","","","","","","","","","","","","","","","","","","Gold, (2,3-dihydro-2-thioxo-4(1H)-pyrimidinonato-S)(trip...","","","","",NA,"PDBC37056","274555","Present"
-"Gold, chloro(triethylphosphine)-","","","","","","","","","","","","","","","","","","","","Gold, chloro(triethylphosphine)-","","CC[PH+](CC)CC.Cl[Au]","SYBBXLKWGHAVHP-UHFFFAOYSA-N","6333884",NA,"PDBC37057","313981","Present"
-"Gold, chloro(triphenylphosphine)-","","","","","","","","","","","","","","","","","","","","Gold, chloro(triphenylphosphine)-","","","","",NA,"PDBC37058","306388","Present"
-"Gold;triethylphosphanium","","","","","","","","","","","","","","","","","","","","Gold(1+), bis(triethylphosphine)-, chloride","","CC[PH+](CC)CC.CC[PH+](CC)CC.[Au]","RYFGKYYHWPUGIC-UHFFFAOYSA-P","6333902",NA,"PDBC37059","321522","Present"
-"Gold;trimethylphosphanium","","","","","","","","","","","","","","","","","","","","Gold(1+), bis(trimethylphosphine)-, chloride","","C[PH+](C)C.C[PH+](C)C.[Au]","LACRKYBICSFMDW-UHFFFAOYSA-P","6333886",NA,"PDBC37060","313985","Present"
-"Golotimod","","","","","","","","","","","","","","","","","","","","Golotimod","","C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC(C(=O)O)N","CATMPQFFVNKDEY-YPMHNXCESA-N","6992140",NA,"PDBC37061","755401","Present"
-"Gomisin K3","","","","","","","","","","","","","","","","","","","","SCHISANHENOL","","CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)O)OC)OC","FYSHYFPJBONYCQ-UHFFFAOYSA-N","433451",NA,"PDBC37062","330515","Present"
-"Goniothalamicin","","","","","","","","","","","","","","","","","","","","Goniothalamicin","","CCCCCCCCCCCCCCC(C1CCC(O1)C(CCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O","NBVJDUCRUAUMAA-UHFFFAOYSA-N","357928",NA,"PDBC37063","617594","Present"
-"Goniothalamin","","","","","","","","","","","","","","","","","","","","goniothalamin","","C1C=CC(=O)OC1C=CC2=CC=CC=C2","RLGHFVLWYYVMQZ-BZYZDCJZSA-N","6440856",NA,"PDBC37064","104956","Present"
-"Goniotriocin","","","","","","","","","","","","","","","","","","","","Goniotriocin","","CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCCC(CCCCCCCC2=CC(OC2=O)C)O)O)O","VKHXJBYQANZNTG-UHFFFAOYSA-N","393464",NA,"PDBC37065","695397","Present"
-"Gorgiacerodiol","","","","","","","","","","","","","","","","","","","","Gorgiacerodiol","","CC(=C)C1CC2=C(C=C(O2)C(C3C=C(C(C1O)O)C(=O)O3)C(=C)C)C(=O)OC","IFMBCRRGRMZJDX-ZMKKGPNFSA-N","387976",NA,"PDBC37066","682340","Present"
-"Gossypetin 3,8,3'-trimethyl ether","","","","","","","","","","","","","","","","","","","","MEGxp0_000612","","COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O","XZGZRRSEIISPEP-UHFFFAOYSA-N","5386961",NA,"PDBC37067","618932","Present"
-"Gossypetin 3-methyl ether","","","","","","","","","","","","","","","","","","","","LMPK12113232","","COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC(=C(C=C3)O)O","WLHKPDQFOBROCS-UHFFFAOYSA-N","5386958",NA,"PDBC37068","618929","Present"
-"Gossypol acetic acid","","","","","","","","","","","","","","","","","","","","Racemic gossypol, acetate salt///(-)-Gossypol/ 0.3 HOAc","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(=O)O","NIOHNDKHQHVLKA-UHFFFAOYSA-N","227456",NA,"PDBC37069","19048///727858","Present"
-"Gossypol bis(N-(2-hydroxyl)imine)","","","","","","","","","","","","","","","","","","","","Gossypol bis(N-(2-hydroxyl)imine)","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCCO)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCO)O)O)C(C)C)O)O","BCYBYJFADLNPHK-UHFFFAOYSA-N","223887",NA,"PDBC37070","11979","Present"
-"Gossypolone","","","","","","","","","","","","","","","","","","","","(+-)-Gossypolone","","CC1=C(C(=C2C(=C(C(=C(C2=C1O)C(C)C)O)O)C=O)O)C3=C(C(=O)C4=C(C(=O)C(=O)C(=C4C3=O)C=O)C(C)C)C","FKZWANMBYLDTNI-UHFFFAOYSA-N","197045",NA,"PDBC37071","651924","Present"
-"Gracillin","","","","","","","","","","","","","","","","","","","","Gracillin","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1","YQEMAEKYNNOCBY-GCVYEHSKSA-N","6712583",NA,"PDBC37072","698787","Present"
-"Gramoxone S","","","","","","","","","","","","","","","","","","","","gramixel","","C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-]","PHBHFYCOBFRUKJ-UHFFFAOYSA-M","5351279",NA,"PDBC37073","263500","Present"
-"Granatomycin A","","","","","","","","","","","","","","","","","","","","Granatomycin A","","","","",NA,"PDBC37074","355063","Present"
-"Granulatin","","","","","","","","","","","","","","","","","","","","Granulatine","","CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)OC)C)C=O)O","HTAATVDZOHXHBE-UHFFFAOYSA-N","5379546",NA,"PDBC37075","657327","Present"
-"Graviquinone","","","","","","","","","","","","","","","","","","","","Graviquinone","","COC(=O)C=CC1(C=CC(=O)C=C1)O","HVMSPHGUKBLNCL-QPJJXVBHSA-N","5470526",NA,"PDBC37076","702644","Present"
-"Griffipavixanthone","","","","","","","","","","","","","","","","","","","","NSC801686","","CC1=CC2C(C(C3=C(C(=C4C(=C23)C(=O)C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C7=C6C(=O)C8=C(C=C(C=C8O7)O)O)O)O)C(C1)(C)C","KAPVRSRPLHVWCH-JNFGOLMQSA-N","60151566",NA,"PDBC37077","801686","Present"
-"Griffonin","","","","","","","","","","","","","","","","","","","","GRIFFONIN","","C1=CC(=CC#N)C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O","WIIDBJNWXCWLKF-ZZXKWVIFSA-N","5458588",NA,"PDBC37078","290807","Present"
-"Gris-PEG","","","","","","","","","","","","","","","","","","","","Fulcin","","CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC","DDUHZTYCFQRHIY-UHFFFAOYSA-N","3512",NA,"PDBC37079","34533","Present"
-"Griselimycin","","","","","","","","","","","","","","","","","","","","Griselimycin","","CC1CC2C(=O)NC(C(=O)N(C(C(=O)N3CCCC3C(=O)N(C(C(=O)NCC(=O)OC(C(C(=O)NC(C(=O)N2C1)CC(C)C)N(C)C(=O)C4CC(CN4C(=O)C(C(C)C)N(C)C(=O)C)C)C)CC(C)C)C)C(C)C)C)CC(C)C","JSNIAKPKPNJUEP-UHFFFAOYSA-N","429055",NA,"PDBC37080","246122","Present"
-"Griseorhodine A","","","","","","","","","","","","","","","","","","","","Griseorhodine A","","","","",NA,"PDBC37081","102808","Present"
-"Grossheimin","","","","","","","","","","","","","","","","","","","","GROSHEIMIN","","CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)O","YGMIBVIKXJJQQJ-UHFFFAOYSA-N","99967",NA,"PDBC37082","295425","Present"
-"Gskmi-714","","","","","","","","","","","","","","","","","","","","GSK-3484862","","CCC1=C(C(=NC(=C1C#N)SC(C2=CC=CC=C2)C(=O)N)N(C)C)C#N","KIEQQZZDWUNUQK-MRXNPFEDSA-N","132233666",NA,"PDBC37083","825088","Present"
-"Guaiacol cinnamate","","","","","","","","","","","","","","","","","","","","Guaiacol cinnamate","","COC1=CC=CC=C1OC(=O)C=CC2=CC=CC=C2","SYKAZDSPTNFPJX-VAWYXSNFSA-N","695688",NA,"PDBC37084","700129","Present"
-"Guanacrone","","","","","","","","","","","","","","","","","","","","Guanacrone","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N=CN","VXYVWJRQFZDGDU-UHFFFAOYSA-N","9571257",NA,"PDBC37085","630718","Present"
-"Guanazodine sulfate","","","","","","","","","","","","","","","","","","","","NSC303851","","C1CCCNC(CC1)CN=C(N)N.OS(=O)(=O)O","FKAIWDBDCWVRIG-UHFFFAOYSA-N","327732",NA,"PDBC37086","303851","Present"
-"Guanazole","","","","","","","","","","","","","","","","","","","","GUANAZOLE","","C1(=NC(=NN1)N)N","PKWIYNIDEDLDCJ-UHFFFAOYSA-N","15078",NA,"PDBC37087","1895","Present"
-"Guanidine, (3-nitro-2-pyridyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","Guanidine, (3-nitro-2-pyridyl)-, hydrochloride","","C1=CC(=C(N=C1)N=C(N)N)[N+](=O)[O-].Cl","QQBQYCRAJOSZBD-UHFFFAOYSA-N","20844172",NA,"PDBC37088","88128","Present"
-"Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-","","","","","","","","","","","","","","","","","","","","Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-","","CCCCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)Cl)N","RFYALWRZJIRDDV-UHFFFAOYSA-N","254258",NA,"PDBC37089","78365","Present"
-"Guanidine, 1-[(p-bromobenzylidene)amino]-3-nitro-","","","","","","","","","","","","","","","","","","","","Guanidine, 1-[(p-bromobenzylidene)amino]-3-nitro-","","","","",NA,"PDBC37090","157073","Present"
-"Guanidine, 1H-benzimidazol-2-yl-, hydrochloride","","","","","","","","","","","","","","","","","","","","NSC618495","","C1=CC=C2C(=C1)NC(=N2)N=C(N)N.Cl","LGQQUUVGOYYYLQ-UHFFFAOYSA-N","358487",NA,"PDBC37091","618495","Present"
-"Guanidine, 5-nitro-1H-benzimidazol-2-yl-","","","","","","","","","","","","","","","","","","","","1-(5-nitro-1H-benzo[d]imidazol-2-yl)guanidine","","C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)N=C(N)N","NAGIDXZSUSERRK-UHFFFAOYSA-N","3246448",NA,"PDBC37092","126757","Present"
-"Guanidine, N'-cyano-N,N-dimethyl-","","","","","","","","","","","","","","","","","","","","W-201459","","CN(C)C(=NC#N)N","TUYAIZHPVZJKIN-UHFFFAOYSA-N","121135",NA,"PDBC37093","643479","Present"
-"Guanidine, N-cyano-N',N''-bis(methoxymethyl)-","","","","","","","","","","","","","","","","","","","","Guanidine, N-cyano-N',N''-bis(methoxymethyl)-","","COCNC(=NCOC)NC#N","UAITYSAJVWQMCH-UHFFFAOYSA-N","9571328",NA,"PDBC37094","643469","Present"
-"Guanidine, N-cyano-N'-(hydroxymethyl)-","","","","","","","","","","","","","","","","","","","","N-Cyano-N'-(hydroxymethyl)guanidine","","C(N=C(N)NC#N)O","XFIZJENETBUYNB-UHFFFAOYSA-N","9571327",NA,"PDBC37095","643467","Present"
-"Guanidinium salt of Tungstoantimonate","","","","","","","","","","","","","","","","","","","","Guanidinium salt of Tungstoantimonate","","","","",NA,"PDBC37096","634563","Present"
-"Guanine, 9-beta-D-xylofuranosyl-","","","","","","","","","","","","","","","","","","","","guanozin","","C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N","NYHBQMYGNKIUIF-UHFFFAOYSA-N","135402034",NA,"PDBC37097","19994","Present"
-"Guanosine, 6-seleno-","","","","","","","","","","","","","","","","","","","","6-Selenoguanosine","","C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2[Se])N","GAJOUJZKZWZVPT-UHFFFAOYSA-N","6330249",NA,"PDBC37098","137679","Present"
-"Guanosine,3',5'-tripropanoate","","","","","","","","","","","","","","","","","","","","KC 1275","","CCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CC)OC(=O)CC","YCMCIJGOJJFDEN-UHFFFAOYSA-N","5035970",NA,"PDBC37099","77556","Present"
-"Gusacitinib","","","","","","","","","","","","","","","","","","","","ASN002","","C1CN(CCC1CC#N)C2=NC3=C(C(=O)NN=C3)C(=N2)NC4=CC=C(C=C4)N5CCC(CC5)O","NLFLXLJXEIUQDL-UHFFFAOYSA-N","71269142",NA,"PDBC37100","818003","Present"
-"Gusperimus monohydrochloride","","","","","","","","","","","","","","","","","","","","Gusperimus Trihydrochloride","","C(CCCN=C(N)N)CCC(=O)NC(C(=O)NCCCCNCCCN)O.Cl","FODMSVBVCPOQRL-UHFFFAOYSA-N","24838593",NA,"PDBC37101","356894","Present"
-"Gymnasterkoreayne F","","","","","","","","","","","","","","","","","","","","(2E,8S,9Z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol","","C=CCCCCCC=CC(C#CC#CC=CCO)O","UOQDNDFAPLNEJQ-RZTJKQGCSA-N","10355169",NA,"PDBC37102","735472","Present"
-"Gyrophoric acid","","","","","","","","","","","","","","","","","","","","Gyrophoric acid","","CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O)O)O","ATQPZSQVWCPVGV-UHFFFAOYSA-N","135728",NA,"PDBC37103","646006","Present"
-"H-(D)Arg-(D)Pro-Lys-Pro-Gln-Gln-(D)Trp-Phe-(D)Trp-Leu-Leu-NH2","","","","","","","","","","","","","","","","","","","","H-(D)Arg-(D)Pro-Lys-Pro-Gln-Gln-(D)Trp-Phe-(D)Trp-Leu -L...","","CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C6CCCN6C(=O)C(CCCCN)NC(=O)C7CCCN7C(=O)C(CCCN=C(N)N)N","SAPCBHPQLCZCDV-WFRSFGLMSA-N","25080886",NA,"PDBC37104","614051","Present"
-"H-4Abz-Gly-Pro-DL-Leu-D-Ala-NHOH","","","","","","","","","","","","","","","","","","","","FN 439","","CC(C)CC(C(=O)NC(C)C(=O)NO)NC(=O)C1CCCN1C(=O)CNC(=O)C2=CC=C(C=C2)N","WWHUHFFMOPIVKB-CFNGDTMJSA-N","24203254",NA,"PDBC37105","727371","Present"
-"H-8 Dihydrochloride","","","","","","","","","","","","","","","","","","","H-8 2HCl","","","CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2.Cl.Cl","RJJLZYZEVNCZIW-UHFFFAOYSA-N","150584",NA,"PDBC37106","","Absent"
-"H-Asn-Met-Trp-Gln-Glu-Val-Gly-Lys-Ala-OH","","","","","","","","","","","","","","","","","","","","H-Asn-Met-Trp-Gln-Glu-Val-Gly-Lys-Ala-OH","","CC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCSC)NC(=O)C(CC(=O)N)N","WEHTYZFPPJZISZ-GHWJQNNOSA-N","6711288",NA,"PDBC37107","614333","Present"
-"H-Asn-NH HCl","","","","","","","","","","","","","","","","","","","","NSC186919","","C(C(C(=O)N)N)C(=O)N.Cl","SLBULRLSTNDQED-UHFFFAOYSA-N","24195510",NA,"PDBC37108","186919","Present"
-"H-Cys(mmt)-OH","","","","","","","","","","","","","","","","","","","","l-cysteine, s-[(4-methoxyphenyl)diphenylmethyl]-","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N","QAINHNNAIDVCEZ-UHFFFAOYSA-N","420454",NA,"PDBC37109","123528","Present"
-"H-D-Leu-Betana HCl","","","","","","","","","","","","","","","","","","","","NSC83633","","CC(C)CC(C(=O)NC1=CC2=CC=CC=C2C=C1)N.Cl","HTHKKWZMEVJWQF-UHFFFAOYSA-N","3013954",NA,"PDBC37110","83633","Present"
-"H-L KWLKIGKVA KKLAKSFVGL LGKIKKG-N","","","","","","","","","","","","","","","","","","","","H-L KWLKIGKVA KKLAKSFVGL LGKIKKG-N","","","","",NA,"PDBC37111","803679","Present"
-"H-Lys(Tos)-Oh","","","","","","","","","","","","","","","","","","","","NSC66203","","CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)O)N","FRJAAXSHLGSWAP-UHFFFAOYSA-N","248765",NA,"PDBC37112","66203","Present"
-"H3B-6527","","","","","","","","","","","","","","","","","","","","H3B-6527","","CCN1CCN(CC1)C2=CC(=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl)NC(=O)C=C","MBWRLLRCTIYXDW-UHFFFAOYSA-N","118029202",NA,"PDBC37113","800283","Present"
-"H4Daps","","","","","","","","","","","","","","","","","","","","NSC328567///NSC617573","","CC(=NNC(=O)C1=CC=CC=C1O)C2=NC(=CC=C2)C(=NNC(=O)C3=CC=CC=C3O)C","LZZXYEOYZNOUPB-LVSXPEEVSA-N","5779747",NA,"PDBC37114","328567///617573","Present"
-"HAMYCIN","","","","","","","","","","","","","","","","","","","","HAMYCIN","","","","",NA,"PDBC37115","72847","Present"
-"HELENIN","","","","","","","","","","","","","","","","","","","","HELENIN","","CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C.CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C","BSIJWVLHHXRGIG-YULDBFNHSA-N","315682",NA,"PDBC37116","333843","Present"
-"HETUFXIBHGGXFY-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","HETUFXIBHGGXFY-UHFFFAOYSA-N","","CCCCCCCCCCCC1=NOC2=C1C(=O)C(CC2)O","HETUFXIBHGGXFY-UHFFFAOYSA-N","360501",NA,"PDBC37117","622635","Present"
-"HGHUIMUBLYEQDT-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","HGHUIMUBLYEQDT-UHFFFAOYSA-N","","CC(C1=CC=CC=C1Cl)NC2=NCCO2","HGHUIMUBLYEQDT-UHFFFAOYSA-N","379843",NA,"PDBC37118","664975","Present"
-"HHKCYVZNMDYRMQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","HHKCYVZNMDYRMQ-UHFFFAOYSA-N","","CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)I","HHKCYVZNMDYRMQ-UHFFFAOYSA-N","391871",NA,"PDBC37119","691534","Present"
-"HI93T94CTM","","","","","","","","","","","","","","","","","","","","HI93T94CTM","","C1=C(SC(=C1)C2=CC=C(S2)Br)C3=CC=C(S3)Br","KXFPYYJGYVYXIB-UHFFFAOYSA-N","176690",NA,"PDBC37120","700236","Present"
-"HIV-1 integrase inhibitor 7","","","","","","","","","","","","","","","","","","","","L-CATA","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)O)OC(=O)C","RMUUAKSNUFVKKT-PMTCXZIRSA-N","5470297",NA,"PDBC37121","699172","Present"
-"HKKKANZBUZYLQW-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","HKKKANZBUZYLQW-UHFFFAOYSA-N","","C1=CC(=CC=C1C=C2C(=C(C(=C2Cl)Cl)Cl)Cl)Cl","HKKKANZBUZYLQW-UHFFFAOYSA-N","230810",NA,"PDBC37122","26110","Present"
-"HLI-98D","","","","","","","","","","","","","","","","","","","","HLI-98D","","C1=CC(=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O)Cl","NGFVSPNFZJSTPT-UHFFFAOYSA-N","1114145",NA,"PDBC37123","729132","Present"
-"HLKANFKOOWUNDF-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","HLKANFKOOWUNDF-UHFFFAOYSA-N","","CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC=CS2)C3=CC=CS3","HLKANFKOOWUNDF-UHFFFAOYSA-N","400097",NA,"PDBC37124","711589","Present"
-"HM-4","","","","","","","","","","","","","","","","","","","","HM-4","","CC=C(C)C(=O)OC1CC2(C(CC(O2)C(=CC3C1C(=C)C(=O)O3)C)O)C","UEFXHAIMDIUNBV-QZTBCQRESA-N","5477565",NA,"PDBC37125","329691","Present"
-"HM-9","","","","","","","","","","","","","","","","","","","","HM-9","","CC=C(C)C(=O)OC1CC(C(CC(C(=CC2C1C(=C)C(=O)O2)C)O)O)(C)O","SVVYQGVHECGYCJ-JMQWPVDRSA-N","5838553",NA,"PDBC37126","329695","Present"
-"HM-9-AO","","","","","","","","","","","","","","","","","","","","HM-9-AO","","CC=C(C)C(=O)OC1CC2(C(CC(=O)C(=CC3C1C(=C)C(=O)O3)C)OC(O2)(C)C)C","FLFMCOUWCKZBIU-QHKWOANTSA-N","54598638",NA,"PDBC37127","329696","Present"
-"HPGRHBUVEMOPFD-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","HPGRHBUVEMOPFD-UHFFFAOYSA-N","","CCC1(C(=O)C2=CC=CC=C2N(C1=O)C)N=[N+]=[N-]","HPGRHBUVEMOPFD-UHFFFAOYSA-N","374155",NA,"PDBC37128","651612","Present"
-"HPI-1","","","","","","","","","","","","","","","","","","","","HPI-1","","CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)O)C(=O)OCCOC","ZXSWZQSYZYMZKS-UHFFFAOYSA-N","2926768",NA,"PDBC37129","758486","Present"
-"HQOMUDZMZFTCPL-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","HQOMUDZMZFTCPL-UHFFFAOYSA-N","","COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl","HQOMUDZMZFTCPL-UHFFFAOYSA-N","392735",NA,"PDBC37130","693541","Present"
-"HSCI1_000155","","","","","","","","","","","","","","","","","","","","HSCI1_000155","","C1CC(CCC1CC2CCC(CC2)NC(=O)C(=CC3=CC(=C(C=C3)O)O)C#N)NC(=O)C(=CC4=CC(=C(C=C4)O)O)C#N","VEPQEAOWDILSHB-KOJZRSEWSA-N","5467485",NA,"PDBC37131","653260","Present"
-"HSDB 8106","","","","","","","","","","","","","","","","","","","","HSDB 8106","","C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C(OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)C=O)O","SKNLUADAGHCXKF-UHFFFAOYSA-N","16129719",NA,"PDBC37132","676825","Present"
-"HTS001086","","","","","","","","","","","","","","","","","","","","HTS001086","","CN1C2=CC=CC=C2C(=O)NC13CCNCC3","HELAPIIBUJVKGM-UHFFFAOYSA-N","379977",NA,"PDBC37133","665284","Present"
-"HTS028264","","","","","","","","","","","","","","","","","","","","HTS028264","","CN1C(=CC(=O)N(C1=O)C)N=CN(C)C","WXPDRYSTJQKFDQ-UXBLZVDNSA-N","9571606",NA,"PDBC37134","686405","Present"
-"HTS028333","","","","","","","","","","","","","","","","","","","","HTS028333","","COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=N3","OYGPEBVFSFOCTJ-UHFFFAOYSA-N","397080",NA,"PDBC37135","704393","Present"
-"HYPOTHEMYCIN","","","","","","","","","","","","","","","","","","","","HYPOTHEMYCIN","","CC1CC=CC(=O)C2C(O2)CC(C(C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)O","HDZUUVQEDFZKAX-HWKANZROSA-N","5477775",NA,"PDBC37136","354462","Present"
-"HZAQKBMXOLLJTH-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","HZAQKBMXOLLJTH-UHFFFAOYSA-N","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C(F)(F)F)NC(=O)CC(C)C","HZAQKBMXOLLJTH-UHFFFAOYSA-N","389157",NA,"PDBC37137","684841","Present"
-"HZLAGPFZLLYVCV-QURGRASLSA-N","","","","","","","","","","","","","","","","","","","","HZLAGPFZLLYVCV-QURGRASLSA-N","","C1CC2=CC(=CC3=C2N(C1)CCC3)N=NC4=C(C=CC(=C4)Cl)Cl","HZLAGPFZLLYVCV-UHFFFAOYSA-N","377620",NA,"PDBC37138","659198","Present"
-"Hadacidin sodium salt","","","","","","","","","","","","","","","","","","","","hadacidin","","C(C(=O)O)N(C=O)O.[Na+]","GAGCLKDXQBHHBE-UHFFFAOYSA-N","23617820",NA,"PDBC37139","521778","Present"
-"Haemanthamine","","","","","","","","","","","","","","","","","","","","natalensin","","COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O","YGPRSGKVLATIHT-HSHDSVGOSA-N","441593",NA,"PDBC37140","403140","Present"
-"Haginin A","","","","","","","","","","","","","","","","","","","","Haginin A","","COC1=C(C=CC(=C1OC)O)C2=CC3=C(C=C(C=C3)O)OC2","JGINXZCTOGQYKS-UHFFFAOYSA-N","338286",NA,"PDBC37141","360042","Present"
-"Halaven","","","","","","","","","","","","","","","","","","","","Halaven","","CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O","UFNVPOGXISZXJD-NJYFXJPISA-N","24764416",NA,"PDBC37142","825254","Present"
-"Halenaquinone","","","","","","","","","","","","","","","","","","","","Halenaquinone","","CC12CCC(=O)C3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4","SMGBXXZKAPMTBB-FQEVSTJZSA-N","370346",NA,"PDBC37143","643407","Present"
-"Halethazole hydrochloride","","","","","","","","","","","","","","","","","","","","episol hydrochloride","","CCN(CC)CCOC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl.Cl","ZDKBIKAYRLTVKY-UHFFFAOYSA-N","24188465",NA,"PDBC37144","76066","Present"
-"Haliclonacylamine-A","","","","","","","","","","","","","","","","","","","","Haliclonacylamine-A","","C1CCCC2CN3CCCCC=CCCCCC4CC(C2CC3)CN(C4)CCCCC=CCC1","JANRLKRLOULGGB-MRYHGRHFSA-N","5469974",NA,"PDBC37145","695020","Present"
-"Haliclonacylamine-B","","","","","","","","","","","","","","","","","","","","Haliclonacylamine-B","","C1CCCCN2CC3CCCCC=CCCCCN4CCC(C(C4)CCC=CCCC1)C(C3)C2","NJJKGPKLDNEHBE-SVALTEQCSA-N","5469975",NA,"PDBC37146","695021","Present"
-"Halistanol","","","","","","","","","","","","","","","","","","","","Halistanol","","CC(CCC(C)C(C)(C)C)C1CCC2C1(CCC3C2CC(C4C3(CC(C(C4)O)O)C)O)C","VSYXVGMOAPVKFR-KFPLHMCGSA-N","5459114",NA,"PDBC37147","622259","Present"
-"Halocarban","","","","","","","","","","","","","","","","","","","","Cloflucarban","","C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)Cl","ZFSXZJXLKAJIGS-UHFFFAOYSA-N","9719",NA,"PDBC37148","114133","Present"
-"Halofantrine methylsulfate","","","","","","","","","","","","","","","","","","","","Halofantrine methylsulfate","","CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.CS(=O)(=O)O","LMWPNWPFYVCINS-UHFFFAOYSA-N","328140",NA,"PDBC37149","305789","Present"
-"Halofuginone hydrobromide","","","","","","","","","","","","","","","","","","","","Halofuginone Hydrobromide","","C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O.Br","SJUWEPZBTXEUMU-LDXVYITESA-N","400771",NA,"PDBC37150","713205","Present"
-"Halomon","","","","","","","","","","","","","","","","","","","","synthetic halomon","","CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Cl","OVLCIYBVQSJPKK-PSASIEDQSA-N","132430",NA,"PDBC37151","673503","Present"
-"Halomonoterpene","","","","","","","","","","","","","","","","","","","","HALOMON","","CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Cl","OVLCIYBVQSJPKK-SCZZXKLOSA-N","6711996",NA,"PDBC37152","650893","Present"
-"Haloquinone","","","","","","","","","","","","","","","","","","","","Haloquinone","","CC1=C(C=C2C3=C(C(=CC=C3)O)C(=O)C(=O)C2=C1O)C(=O)C","CPYFLMXPZMBECD-UHFFFAOYSA-N","133561",NA,"PDBC37153","789947","Present"
-"Hannoaenone","","","","","","","","","","","","","","","","","","","","undulatone","","CC=C(C)C(=O)OC1C2C(=CC(=O)C(C2(C3C45C1OC(=O)C(C4C(C(C3(OC5)O)O)C)OC(=O)C)C)O)C","VKCVPDRXEYKUOZ-JXMROGBWSA-N","5476831",NA,"PDBC37154","267709","Present"
-"Harmalol hydrochloride","","","","","","","","","","","","","","","","","","","","Harmalol hydrochloride","","CC1=NCCC2=C1NC3=C2C=CC(=C3)O.Cl","BSWAWVOHMZNXOS-UHFFFAOYSA-N","145825",NA,"PDBC37155","640461","Present"
-"Harman-3-carbonsaure","","","","","","","","","","","","","","","","","","","","Harman-3-carbonsaure","","CC1=NC(CC2=C1NC3=CC=CC=C23)C(=O)O","DEAAKPHRJVNJBN-UHFFFAOYSA-N","189011",NA,"PDBC37156","623959","Present"
-"Harmicine","","","","","","","","","","","","","","","","","","","","Harmicine","","C1CC2C3=C(CCN2C1)C4=CC=CC=C4N3","LXJWBHIVLXMHDZ-UHFFFAOYSA-N","372331",NA,"PDBC37157","647389","Present"
-"Harmol hydrochloride","","","","","","","","","","","","","","","","","","","","Harmol hydrochloride","","CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1.Cl","RBOUBJPHXSVUTH-UHFFFAOYSA-N","94507",NA,"PDBC37158","640470","Present"
-"Haterumalide NA methyl esters","","","","","","","","","","","","","","","","","","","","haterumalide NA methyl esters","","CC1=CCC=C(CCC2CC(C(O2)C(C=C(C)CC(=O)OC)O)OC(=O)CC1OC(=O)C)Cl","ONIIFUCGUYMWTD-IPUHWJITSA-N","24204452",NA,"PDBC37159","731928","Present"
-"Haterumalide ring system","","","","","","","","","","","","","","","","","","","","haterumalide ring system","","CC1=CCC=C(CCC2CC(C(O2)CO)OC(=O)CC1OC(=O)C)Cl","UIEQQRMCTQTUCP-WBNBLHGKSA-N","24204453",NA,"PDBC37160","731929","Present"
-"Hebelomic Acid A","","","","","","","","","","","","","","","","","","","","Hebelomic Acid A","","CC(=O)OC1C(CC2(C(C1(C)C)CCC3=C2CC(C4(C3(CCC4C5CCC(OC5O)C(C)(C)O)C)C)O)C)OC(=O)CC(C)(CC(=O)O)O","CBOCHURFHBDQGB-JEFNEBLMSA-N","384883",NA,"PDBC37161","675555","Present"
-"Hebelomic Acid F","","","","","","","","","","","","","","","","","","","","Hebelomic Acid F","","CC(=O)OC1C(CC2(C(C1(C)C)CCC3=C2CCC4(C3(CCC4C5CCC(OC5OC(=O)C)C(C)(C)O)C)C)C)OC(=O)CC(C)(CC(=O)O)O","JBMORHZTYFJYCP-NKSTZJLESA-N","384884",NA,"PDBC37162","675556","Present"
-"Hedamycin","","","","","","","","","","","","","","","","","","","","hedamycin","","CC1C(C(CC(O1)C2=CC(=C(C3=C2C(=O)C4=C(C3=O)C5=C(C(=C4)C)C(=O)C=C(O5)C6(C(O6)C7C(O7)C)C)O)C8CC(C(C(O8)C)O)(C)N(C)C)N(C)C)O","RZOFHOWMWMTHDX-UHFFFAOYSA-N","98033",NA,"PDBC37163","70929","Present"
-"Hederagenin 3,23-acetonide","","","","","","","","","","","","","","","","","","","","Hederagenin 3,23-acetonide","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC6C5(COC(O6)(C)C)C)C)C)C2C1)C)C(=O)O)C","GZTXRAOZNVKIDQ-YYRIWJFKSA-N","382832",NA,"PDBC37164","670662","Present"
-"Helenalin","","","","","","","","","","","","","","","","","","","","Helenalin","","CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2","ZVLOPMNVFLSSAA-XEPQRQSNSA-N","23205",NA,"PDBC37165","85236","Present"
-"Helenatriol B(sub 0)","","","","","","","","","","","","","","","","","","","","Helenatriol B(sub 0)","","CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC=C1C)CO)O)C)C)(C)C)O)C","SAJCKXGPHBRCAY-BVCMAEDNSA-N","397933",NA,"PDBC37166","707001","Present"
-"Helenin","","","","","","","","","","","","","","","","","","","","BOHLMANN K2631","","CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C","PXOYOCNNSUAQNS-UHFFFAOYSA-N","327378",NA,"PDBC37167","302289","Present"
-"Heliangolide","","","","","","","","","","","","","","","","","","","","HELIANGOLIDE","","CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=CC3C1C(=C)C(=O)O3)C)C","QATUWZPYBIHFFR-VZDUCZRCSA-N","5384466",NA,"PDBC37168","335753","Present"
-"Heliantriol C","","","","","","","","","","","","","","","","","","","","Heliantriol C","","CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C=C1C)O)C)O)C)C)(C)C)O)C","SCAPWGHHHZEERU-DVYMRSPSSA-N","397879",NA,"PDBC37169","706731","Present"
-"Heliquinomycin","","","","","","","","","","","","","","","","","","","","Heliquinomycin","","CC1C(C(CC(O1)OC2C3=C(C4=C(C(=C3OC25C(CC6=C(O5)C(=C7C(=C6)C=C(OC7=O)C(=O)OC)O)O)O)C(=O)C(=CC4=O)OC)O)OC)O","MLFZQFHGXSVTGX-VJANPNJTSA-N","5470493",NA,"PDBC37170","702208","Present"
-"Hemicholinium-15","","","","","","","","","","","","","","","","","","","","Hemicholinium-15","","C[N+]1(CCOC(C1)(C2=CC=CC=C2)O)C.[Br-]","VQGRNOCAQVTQAI-UHFFFAOYSA-M","197807",NA,"PDBC37171","100754","Present"
-"Hemigossypolone","","","","","","","","","","","","","","","","","","","","Hemigossypolone","","CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)O)O)C=O","CERPPXZGSNEVMI-UHFFFAOYSA-N","182249",NA,"PDBC37172","650936","Present"
-"Hepsulfam","","","","","","","","","","","","","","","","","","","","Hepsulfam","","C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N","GOJJWDOZNKBUSR-UHFFFAOYSA-N","100606",NA,"PDBC37173","329680","Present"
-"Heptamethyl-p-rosaniline chloride","","","","","","","","","","","","","","","","","","","","iodine green","","CC1=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)[N+](C)(C)C)C=CC1=[N+](C)C.[Cl-]","OATKMJAXHOEMDD-UHFFFAOYSA-M","54605107",NA,"PDBC37174","8673","Present"
-"Herbasterol","","","","","","","","","","","","","","","","","","","","Herbasterol","","CC(C)CCCC(C)C1CCC(C1(C)CCO)C2CC(C3CC(C(CC3(C2=O)CO)O)O)O","UWPWCNUBZQKCGV-LBYIKTMNSA-N","355716",NA,"PDBC37175","609821","Present"
-"Herbimycin Herbimycin A","","","","","","","","","","","","","","","","","","","","Herbimycin","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C=C(C1OC)C2=O)C)OC)OC(=O)N)C)C)OC)OC","MCAHMSDENAOJFZ-LHRBXNIJSA-N","24198856",NA,"PDBC37176","305978","Present"
-"Hernandifoline","","","","","","","","","","","","","","","","","","","","Stephisoferuline///Hernandifoline","","COC1C(CC23CCNC24C1(OC(C4)C5=C3C(=C(C=C5)OC)O)OC)OC(=O)C=CC6=CC(=C(C=C6)OC)O","YYOXLLHHBARIFS-UXBLZVDNSA-N","5475263",NA,"PDBC37177","135035///339276","Present"
-"Herveline O","","","","","","","","","","","","","","","","","","","","Herveline O","","CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC4=C5CC6C7=CC(=C(C=C7CC(C5=CC(=C4OC)OC)N6C)OC)O)OC","WQYVZFLXYIOFCT-AYQJTBPPSA-N","5459269",NA,"PDBC37178","676002","Present"
-"Hesperitin","","","","","","","","","","","","","","","","","","","","Hesperitin","","COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O","AIONOLUJZLIMTK-UHFFFAOYSA-N","3593",NA,"PDBC37179","641520","Present"
-"Heteromine B","","","","","","","","","","","","","","","","","","","","NSC691768","","CNC1=NC2=C(C(=N1)OC)N(C=[N+]2C)C.[Cl-]","GSVCETUWTVKGRW-UHFFFAOYSA-M","391984",NA,"PDBC37180","691768","Present"
-"Hex-1-ynyl(phenyl)iodanium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","NSC646704","","CCCCC#C[I+]C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]","PJHVCGKYVCGOOH-UHFFFAOYSA-M","10938976",NA,"PDBC37181","646704","Present"
-"Hex-2-ynyl 3,5-dinitrobenzoate","","","","","","","","","","","","","","","","","","","","Hex-2-ynyl 3,5-dinitrobenzoate","","CCCC#CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]","QZVNBFWAMKHIQF-UHFFFAOYSA-N","349000",NA,"PDBC37182","408545","Present"
-"Hexaammineosmium(III)iodide","","","","","","","","","","","","","","","","","","","","Hexaammineosmium(III)iodide","","N.N.N.N.N.N.[I-].[Os]","GOWBUJXQPIDGNU-UHFFFAOYSA-M","24202192",NA,"PDBC37183","632564","Present"
-"Hexadecanaminium,N-bis(2-hydroxyethyl)-N-methyl-, chloride","","","","","","","","","","","","","","","","","","","","Hexadecanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)- N-m...","","CCCCCCCCCCCCCCC(C[N+](C)(CCO)CCO)O.[Cl-]","TVHASYBZQSLFAU-UHFFFAOYSA-M","386355",NA,"PDBC37184","678146","Present"
-"Hexadecanaminium,N-dimethyl-, chloride","","","","","","","","","","","","","","","","","","","","Hexadecanaminium, N-(chloromethyl)-N,N-dimethyl-, chloride","","CCCCCCCCCCCCCCCC[N+](C)(C)CCl.[Cl-]","MHHYEFPLIFHKPQ-UHFFFAOYSA-M","383939",NA,"PDBC37185","672904","Present"
-"Hexadecyl 2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethylazaniumyl]ethyl phosphate","","","","","","","","","","","","","","","","","","","","Hexadecyl 2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethylazaniumyl]ethyl phosphate","","CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C1CC(N(C(C1)(C)C)O)(C)C","ARWNQZLAJQUWHK-UHFFFAOYSA-N","4211269",NA,"PDBC37186","701824","Present"
-"Hexadecyl-[2-(trimethylazaniumyl)ethoxy]phosphinate","","","","","","","","","","","","","","","","","","","","2-[Hexadecyl(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium","","CCCCCCCCCCCCCCCCP(=O)([O-])OCC[N+](C)(C)C","HQOKCCMTRLZZBE-UHFFFAOYSA-N","381954",NA,"PDBC37187","669266","Present"
-"Hexadecyl-[[4-[[hexadecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide","","","","","","","","","","","","","","","","","","","","Hexadecyl-[[4-[[hexadecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide","","CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]","ZREWUFJOTUKWSQ-UHFFFAOYSA-M","361974",NA,"PDBC37188","625457","Present"
-"Hexadecylphospho(N-acetyl)-L-serine (NH4 salt)","","","","","","","","","","","","","","","","","","","","Hexadecylphospho(N-acetyl)-L-serine (NH4 salt)","","CCCCCCCCCCCCCCCCOP(=O)(O)OCC(C(=O)O)NC(=O)C.N","FLPSPEWODPJFIU-UHFFFAOYSA-N","383117",NA,"PDBC37189","671161","Present"
-"Hexafluoro phosphate","","","","","","","","","","","","","","","","","","","","Hexafluoro phosphate","","","","",NA,"PDBC37190","684713","Present"
-"Hexahomotrioxacalix[3]arene","","","","","","","","","","","","","","","","","","","","tritert-butyl[?]triol","","CC(C)(C)C1=CC2=C(C(=C1)COCC3=CC(=CC(=C3O)COCC4=C(C(=CC(=C4)C(C)(C)C)COC2)O)C(C)(C)C)O","POMGZJQFTLTHSC-UHFFFAOYSA-N","395590",NA,"PDBC37191","700320","Present"
-"Hexahydro-1H-pyrrolizine-7a-carbaldehyde","","","","","","","","","","","","","","","","","","","","1,2,3,5,6,7-Hexahydropyrrolizine-8-carbaldehyde","","C1CC2(CCCN2C1)C=O","VVWRHELZTWIQIE-UHFFFAOYSA-N","394150",NA,"PDBC37192","697384","Present"
-"Hexahydropyridazino[1,2-a]pyridazine-1,4-dione","","","","","","","","","","","","","","","","","","","","Hexahydropyridazino[1,2-a]pyridazine-1,4-dione","","C1CCN2C(=O)CCC(=O)N2C1","RRDKWTABYARDHG-UHFFFAOYSA-N","366000",NA,"PDBC37193","634171","Present"
-"Hexahydroxyethylaminomethyl melamine","","","","","","","","","","","","","","","","","","","","Hexahydroxyethylaminomethyl melamine","","C(CO)NCN(CNCCO)C1=NC(=NC(=N1)N(CNCCO)CNCCO)N(CNCCO)CNCCO","FYHOLWAKUFPPAM-UHFFFAOYSA-N","374756",NA,"PDBC37194","653000","Present"
-"Hexamethyl 2-methoxytricyclo[6.3.2.02,7]trideca-3,5,10,12-tetraene-3,4,5,6,9,10-hexacarboxylate","","","","","","","","","","","","","","","","","","","","Hexamethyl 2-methoxytricyclo[6.3.2.02,7]trideca-3,5,10,12-tetraene-3,4,5,6,9,10-hexacarboxylate","","COC(=O)C1C2C=CC(C=C1C(=O)OC)C3(C2C(=C(C(=C3C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)OC","XNAAAPRJEKKCQZ-UHFFFAOYSA-N","361798",NA,"PDBC37195","625118","Present"
-"Hexamethylene bisacetamide","","","","","","","","","","","","","","","","","","","","HMBA","","CC(=O)NCCCCCCNC(=O)C","BNQSTAOJRULKNX-UHFFFAOYSA-N","3616",NA,"PDBC37196","95580","Present"
-"Hexamethylenetetramine, p,alpha-dibromo","","","","","","","","","","","","","","","","","","","","Hexamethylenetetramine, compd. with toluene, p,.alpha.-d...","","C1N2CN3CN1C[N+](C2)(C3)CC4=CC=C(C=C4)Br.[Br-]","XCAZYBVIDKCXKH-UHFFFAOYSA-M","10916129",NA,"PDBC37197","80640","Present"
-"Hexamethylquercetagetin","","","","","","","","","","","","","","","","","","","","quercetagenin hexamethylether","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC","CHXSDKWBSFDZEU-UHFFFAOYSA-N","386331",NA,"PDBC37198","678108","Present"
-"Hexanal, 4-methyl-6-(phenylmethoxy)-","","","","","","","","","","","","","","","","","","","","Hexanal, 4-methyl-6-(phenylmethoxy)-","","CC(CCC=O)CCOCC1=CC=CC=C1","RKZYNDQFWFVEQV-UHFFFAOYSA-N","357756",NA,"PDBC37199","617277","Present"
-"Hexanedioic acid,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], dihydrochloride","","","","","","","","","","","","","","","","","","","","Hexanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.al...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)CCCCC(=O)NN=C(C)C6(CC(C7=C(C6)C(=C8C(=C7O)C(=O)C9=C(C8=O)C=CC=C9OC)O)OC1CC(C(C(O1)C)O)N)O)C)O)N)O","WWVGIBNAHCRGSA-JCAINFKWSA-N","9573626",NA,"PDBC37200","273432","Present"
-"Hexanoic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester","","","","","","","","","","","","","","","","","","","","[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl hexanoate","","CCCCCC(=O)OCC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO","BWJOJZPMFILAAD-YVLHZVERSA-N","5470617",NA,"PDBC37201","703744","Present"
-"Hexanoic acid, 5,6-dibromo-6-[p-chlorophenyl]-2,4-dioxo-, ethyl ester","","","","","","","","","","","","","","","","","","","","Hexanoic acid, 5,6-dibromo-2,4-dioxo-6-(4-chlorophenyl)-...","","CCOC(=O)C(=O)CC(=O)C(C(C1=CC=C(C=C1)Cl)Br)Br","QBIOHOVAXBAEJE-UHFFFAOYSA-N","360209",NA,"PDBC37202","622188","Present"
-"Hexanoic acid, 6-[(7-methoxy-1-nitro-9-acridinyl)amino]-","","","","","","","","","","","","","","","","","","","","Hexanoic acid, 6-[(7-methoxy-1-nitro-9-acridinyl)amino]-","","COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCCCCC(=O)O","DMVRDIUGDIVKPU-UHFFFAOYSA-N","384253",NA,"PDBC37203","673799","Present"
-"Hexathiocarbamideosmium(III)chloride","","","","","","","","","","","","","","","","","","","","Hexathiocarbamideosmium(III)chloride","","","","",NA,"PDBC37204","632561","Present"
-"Hexitol, 2,5-anhydro-1-deoxy-1-phosphono-","","","","","","","","","","","","","","","","","","","","Hexitol, 2,5-anhydro-1-deoxy-1-phosphono-","","C(C1C(C(C(O1)CP(=O)(O)O)O)O)O","DFYLWBCXEJFDNK-UHFFFAOYSA-N","386969",NA,"PDBC37205","680206","Present"
-"Hexyl 2-[(5Z)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]acetate","","","","","","","","","","","","","","","","","","","","(Z)-Hexyl 2-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)m...","","CCCCCCOC(=O)CC1=C(C(=CC2=C(C=C(N2)C3=CC=CN3)OC)N=C1C)C","MCAJHHIMUMZGAC-ZHZULCJRSA-N","155816601",NA,"PDBC37206","787809","Present"
-"Hexyl O-methyltyrosinate--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","Hexyl 2-amino-3-(4-methoxyphenyl)propanoate;hydrochloride","","CCCCCCOC(=O)C(CC1=CC=C(C=C1)OC)N.Cl","VDCTXPMBBCZHOQ-UHFFFAOYSA-N","24200836",NA,"PDBC37207","401586","Present"
-"Hexyl diethylcarbamo(dithioperoxo)thioate","","","","","","","","","","","","","","","","","","","","hexyl diethylcarbamo(dithioperoxo)thioate","","CCCCCCSSC(=S)N(CC)CC","JMAKJOJFVMKPEI-UHFFFAOYSA-N","46700805",NA,"PDBC37208","749792","Present"
-"Hexyl-[[4-[[hexyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide","","","","","","","","","","","","","","","","","","","","Hexyl-[[4-[[hexyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide","","CCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCC.[Br-]","UKTMLCPHIIOZJU-UHFFFAOYSA-M","361970",NA,"PDBC37209","625455","Present"
-"Himbafcine","","","","","","","","","","","","","","","","","","","","Himbacine","","CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C","FMPNFDSPHNUFOS-VAWYXSNFSA-N","5351501",NA,"PDBC37210","23969","Present"
-"Hinokitiol","","","","","","","","","","","","","","","","","","","","hinokitol","","CC(C)C1=CC(=O)C(=CC=C1)O","FUWUEFKEXZQKKA-UHFFFAOYSA-N","3611",NA,"PDBC37211","18804","Present"
-"Hispanolone","","","","","","","","","","","","","","","","","","","","HISPANOLONE","","CC1C(=O)CC2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C","UVKYPKNCQJIGKV-PEFDPPPMSA-N","5458747",NA,"PDBC37212","332876","Present"
-"Hispidulin","","","","","","","","","","","","","","","","","","","","Dinatin","","COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O","IHFBPDAQLQOCBX-UHFFFAOYSA-N","5281628",NA,"PDBC37213","122415","Present"
-"Histonic compound","","","","","","","","","","","","","","","","","","","","Histonic compound","","","","",NA,"PDBC37214","644024","Present"
-"Hobartine, 8-oxo-9-dehydro","","","","","","","","","","","","","","","","","","","","Hobartine, 8-oxo-9-dehydro","","CC1=CCC2CC1C(=NC2(C)C)C(=O)C3=CNC4=CC=CC=C43","SEFQLMNDSVHUGG-UHFFFAOYSA-N","369152",NA,"PDBC37215","640739","Present"
-"Hofmann's Violet","","","","","","","","","","","","","","","","","","","","hofmann's violet","","CCN=C1C=CC(=C(C2=CC=C(C=C2)N)C3=CC(=C(C=C3)N(CC)CC)C)C=C1.Cl","PHWHSHNIIPVVHF-UHFFFAOYSA-N","24181402",NA,"PDBC37216","8672","Present"
-"Holotransferrin complexed w/ cis-[Cl2(NH3)4RuIII]Cl, MW=...","","","","","","","","","","","","","","","","","","","","Holotransferrin complexed w/ cis-[Cl2(NH3)4RuIII]Cl, MW=...","","","","",NA,"PDBC37217","719242","Present"
-"Holotransferrin complexed w/(ImH)trans-[(Im)2Cl4RuIII, M...","","","","","","","","","","","","","","","","","","","","Holotransferrin complexed w/(ImH)trans-[(Im)2Cl4RuIII, M...","","","","",NA,"PDBC37218","719243","Present"
-"Homoarbutin","","","","","","","","","","","","","","","","","","","","HOMOARBUTIN","","CC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O","SUSHDSMGFVANCQ-UHFFFAOYSA-N","324796",NA,"PDBC37219","291302","Present"
-"Homofascaplysin B","","","","","","","","","","","","","","","","","","","","Homofascaplysin B","","COC(=O)C(=O)C1=C2C3=C(C=CN2C4=CC=CC=C41)C5=CC=CC=C5N3","JSCOOTAVKPBHTB-UHFFFAOYSA-N","378602",NA,"PDBC37220","661242","Present"
-"Homohalichondrin B","","","","","","","","","","","","","","","","","","","","homohalichondrin b","","CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(CO)O)C)C)OC9CC(C1=C)O2)C","LMZKVILFCFSDGK-QTBWQIHVSA-N","6711269",NA,"PDBC37221","609394","Present"
-"Homohalichondrin B 26-diol","","","","","","","","","","","","","","","","","","","","Homohalichondrin B 26-diol","","CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(CO)O)C)C)OC9CC(C1(CO)O)O2)C","ACHMYBPPMAJJMF-QJKUACSYSA-N","395624",NA,"PDBC37222","700373","Present"
-"Homohalichondrin B aldehyde","","","","","","","","","","","","","","","","","","","","Homohalichondrin B aldehyde","","CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C=O)C)C)OC9CC(C1=C)O2)C","UKNLMCCEHUGESB-RJJJCZGFSA-N","395622",NA,"PDBC37223","700371","Present"
-"Homohalichondrin B diacetate 19,26-diketone","","","","","","","","","","","","","","","","","","","","Homohalichondrin B diacetate 19,26-diketone","","CC1CC2CCC3C(=O)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(COC(=O)C)OC(=O)C)C)C)OC9CC(C1=O)O2)C","PXGXLFJJAPMXSL-CFJVCZLQSA-N","395620",NA,"PDBC37224","700369","Present"
-"Homohalichondrin B diacetate 19,26-tetraol","","","","","","","","","","","","","","","","","","","","Homohalichondrin B diacetate 19,26-tetraol","","CC1CC2CCC3C(CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(COC(=O)C)OC(=O)C)C)C)OC9CC(C1(CO)O)O2)C)(CO)O","HPTRWVYHIRSIJM-BDVYHGIASA-N","5470371",NA,"PDBC37225","700367","Present"
-"Homohalichondrin B diacetate 26-diol","","","","","","","","","","","","","","","","","","","","Homohalichondrin B diacetate 26-diol","","CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(COC(=O)C)OC(=O)C)C)C)OC9CC(C1(CO)O)O2)C","IXRVFARPMXUFET-ZATZVIQDSA-N","395623",NA,"PDBC37226","700372","Present"
-"Homopterocarpin","","","","","","","","","","","","","","","","","","","","Homopterocarpin","","COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC","VPGIGLKLCFOWDN-RHSMWYFYSA-N","364159",NA,"PDBC37227","629831","Present"
-"Homovinblastine methanesulfonate salt","","","","","","","","","","","","","","","","","","","","Homovinblastine methanesulfonate salt","","CCC1(CC2CC(C3=C(CCCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.COS(=O)(=O)O","ZTESAYQRCHVTAU-RYQDKXBUSA-N","11970002",NA,"PDBC37228","651726","Present"
-"Hookerianamide H","","","","","","","","","","","","","","","","","","","","Hookerianamide H","","CC(C1CCC2C1(CCC3C2CCC4C3(CC=C(C4=O)NC=O)C)C)N(C)C","BRKREXSOPCTPTI-FKRRDGGOSA-N","54612855",NA,"PDBC37229","748907","Present"
-"Hookerianamide I","","","","","","","","","","","","","","","","","","","","Hookerianamide I","","CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N(C)C(=O)C5=CC=CC=C5)C)C)NC","NISGMKNSSUMSSN-LHUVOZIESA-N","54612856",NA,"PDBC37230","748908","Present"
-"Hookerianamide J","","","","","","","","","","","","","","","","","","","","Hookerianamide J","","CC(C1=CCC2C1(CCC3C2CCC4C3(CCC(C4O)NC(=O)C=C(C)C)C)C)N(C)C","UBWMSSICUOCSHT-GRLQZXGISA-N","54612853",NA,"PDBC37231","748905","Present"
-"Hookerianamide K","","","","","","","","","","","","","","","","","","","","Hookerianamide K","","CC(C1CC=C2C1(CCC3C2CCC4=CC(CCC34C)N(C)C)C)N(C)C","JLDLXPZTQHZTBT-GRCPVTBZSA-N","54612854",NA,"PDBC37232","748906","Present"
-"Horminon","","","","","","","","","","","","","","","","","","","","HORMINON","","CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2O)(C)C)C)O","WAZYPYJGZYLHHT-UHFFFAOYSA-N","99965",NA,"PDBC37233","294577","Present"
-"Hortiacine","","","","","","","","","","","","","","","","","","","","Hortiacine","","COC1=CC2=C(C=C1)NC3=C2CCN4C3=NC5=CC=CC=C5C4=O","JNHSRGXMKPJTEV-UHFFFAOYSA-N","378227",NA,"PDBC37234","660030","Present"
-"Hurgadol","","","","","","","","","","","","","","","","","","","","Hurgadol","","CC1(C(CCC(=C)C12CCC(C(C2)Cl)(C)O)Br)C","GUFLNPTXIUFEGF-DGLGBPBLSA-N","5459201",NA,"PDBC37235","643815","Present"
-"Hyatine hydrochloride","","","","","","","","","","","","","","","","","","","","Hyatine hydrochloride","","","","",NA,"PDBC37236","101212","Present"
-"Hycanthone methanesulfonate","","","","","","","","","","","","","","","","","","","","Hycanthone methanesulfonate","","CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O.CS(=O)(=O)O","LOEQGPPJCCUXEJ-UHFFFAOYSA-N","285666",NA,"PDBC37237","142982","Present"
-"Hydantoin","","","","","","","","","","","","","","","","","","","","hydantoin","","C1C(=O)NC(=O)N1","WJRBRSLFGCUECM-UHFFFAOYSA-N","10006",NA,"PDBC37238","9226","Present"
-"Hydantoin, 1-((5-(p-fluorophenyl)-2-furanyl)methyleneamino)-","","","","","","","","","","","","","","","","","","","","1-[[5-(p-fluorophenyl)-2-furanyl]methyleneamino]hydantoin","","C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)F","HPRIXHPEHLVITL-FRKPEAEDSA-N","9568687",NA,"PDBC37239","305530","Present"
-"Hydantoin, 3-allyl-2-thioxo-","","","","","","","","","","","","","","","","","","","","3-allylthiohydantoin","","C=CCN1C(=O)CNC1=S","UVUYSPTYWQXNLX-UHFFFAOYSA-N","3032418",NA,"PDBC37240","703018","Present"
-"Hydramethylnon","","","","","","","","","","","","","","","","","","","","Hydramethylnon","","CC1(CNC(=NC1)NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC3=CC=C(C=C3)C(F)(F)F)C","IQVNEKKDSLOHHK-FNCQTZNRSA-N","5281875",NA,"PDBC37241","379665","Present"
-"Hydramycin","","","","","","","","","","","","","","","","","","","","Hydramycin","","CC1=CC2=C(C3=C1C(=O)C=C(O3)C(CO)(C4CO4)O)C(=O)C5=C(C2=O)C=CC=C5O","WZNWUDKIQDIRSR-UHFFFAOYSA-N","373075",NA,"PDBC37242","648910","Present"
-"Hydrangenoside C","","","","","","","","","","","","","","","","","","","","Hydrangenoside C","","COC(=O)C1=COC(C(C1CC2CC(=O)CC(O2)CCC3=CC=C(C=C3)O)C=C)OC4C(C(C(C(O4)CO)O)O)O","GGNFGJZLCXTJLH-UHFFFAOYSA-N","434884",NA,"PDBC37243","360034","Present"
-"Hydrastine sulfate","","","","","","","","","","","","","","","","","","","","Hydrastine sulfate","","CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.OS(=O)(=O)O","OWOIEGWFRSGEGR-VOMIJIAVSA-N","234445",NA,"PDBC37244","34404","Present"
-"Hydrastinine Hydrochloride","","","","","","","","","","","","","","","","","","","","NSC755892///NSC93766","","CN1CCC2=CC3=C(C=C2C1O)OCO3.Cl","DLNQCQJCIITVHC-UHFFFAOYSA-N","71833",NA,"PDBC37245","755892///93766","Present"
-"Hydrazine sulfate","","","","","","","","","","","","","","","","","","","","HYDRAZINE SULFATE","","NN.OS(=O)(=O)O","ZGCHATBSUIJLRL-UHFFFAOYSA-N","24842",NA,"PDBC37246","150014","Present"
-"Hydrazine, 1-(1H-benzimidazol-2-yl)-2-[1-(2-pyrimidinyl)ethylidene)-","","","","","","","","","","","","","","","","","","","","Ethanone, 1-(2-pyrimidinyl)-,1H-benzimidazol-2-ylhydrazone","","CC(=NNC1=NC2=CC=CC=C2N1)C3=NC=CC=N3","VSDYZTJZLHXDBY-GIJQJNRQSA-N","6176063",NA,"PDBC37247","703106","Present"
-"Hydrazinecarboimidamide,2'-(2,8-dibenzofurandiyldiethylidyne)bis(N-methyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Hydrazinecarboimidamide, 2,2'-(2,8-dibenzofurandiyldieth...","","CC(=NNC(=NC)N)C1=CC2=C(C=C1)OC3=C2C=C(C=C3)C(=NNC(=NC)N)C.Cl","IAZNZJUNBYYLHV-UVIWNNOESA-N","54601621",NA,"PDBC37248","327929","Present"
-"Hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)-","","","","","","","","","","","","","","","","","","","","isoquinaldaldehyde, thiosemicarbazone","","C1=CC=C2C(=C1)C=CN=C2C=NNC(=S)N","FQWITMQQUMTMRE-VGOFMYFVSA-N","5383288",NA,"PDBC37249","92188","Present"
-"Hydrazinecarbothioamide, 2-(2-pyridinylmethylene)-N-(2-pyridinyl)methyl-","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-(2-pyridinylmethylene)-N-(2-p...","","C1=CC=NC(=C1)CNC(=S)NN=CC2=CC=CC=N2","BTFYMPJMYCNLRM-LICLKQGHSA-N","9571903",NA,"PDBC37250","670778","Present"
-"Hydrazinecarbothioamide, 2-[[3-(methylamino)-2-pyridinyl]methylene]-","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-[[3-(methylamino)-2-pyridinyl...","","CNC1=C(N=CC=C1)C=NNC(=S)N","PRSZSMVFSUELRT-LFYBBSHMSA-N","9555629",NA,"PDBC37251","266748","Present"
-"Hydrazinecarbothioamide, 2-[[5-(1-oxopropoxy)-2-pyridinyl]methylene]-","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-[[5-(1-oxopropoxy)-2-pyridiny...","","CCC(=O)OC1=CN=C(C=C1)C=NNC(=S)N","OYUAXYHBKMCVFP-WLRTZDKTSA-N","9556312",NA,"PDBC37252","185049","Present"
-"Hydrazinecarbothioamide, 2-[[5-(acetyloxy)-2-pyridinyl]methylene]-","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-[[5-(acetyloxy)-2-pyridinyl]m...","","CC(=O)OC1=CN=C(C=C1)C=NNC(=S)N","NXYPCAZJCPMVNA-UUILKARUSA-N","9555726",NA,"PDBC37253","144055","Present"
-"Hydrazinecarbothioamide, N,N-diethyl-2-[1-(6-methyl-2-pyridinyl)ethylidene]-","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, N,N-diethyl-2-[1-(6-methyl- 2-p...","","CCN(CC)C(=S)NN=C(C)C1=CC=CC(=N1)C","GHPKSEZQVVOUAE-RVDMUPIBSA-N","9554740",NA,"PDBC37254","673829","Present"
-"Hydrazinecarbothioamide, N-2-pyridinyl-2-(2-pyridinylmethylene)-","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, N-2-pyridinyl-2-(2-pyridinylmet...","","C1=CC=NC(=C1)C=NNC(=S)NC2=CC=CC=N2","WAMAMGLRPFVEBR-OQLLNIDSSA-N","9555487",NA,"PDBC37255","185062","Present"
-"Hydrazinecarbothioamide, N-methyl-2-[(5-nitro-2-thienyl)methylene]-","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, N-methyl-2-[(5-nitro-2-thienyl)...","","CNC(=S)NN=CC1=CC=C(S1)[N+](=O)[O-]","QFRFYLOPDGWXPF-RUDMXATFSA-N","5351249",NA,"PDBC37256","169543","Present"
-"Hydrazinecarbothioamide, dihydrobromide","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, N-[4-(diethylamino)-1-methylbut...","","CCN(CC)CCCC(C)NC(=S)NN=C(C)C1=CC=CC=N1.Br","GCQUORUMMZFMFS-QMGGKDRNSA-N","54598640",NA,"PDBC37257","296300","Present"
-"Hydrazinecarbothioamide,2'-(1,5-dimethyl-1,5-pentanediylidene)bis[N-methyl-","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2,2'-(1,5-dimethyl-1,5-pentaned...","","CC(=NNC(=S)NC)CCCC(=NNC(=S)NC)C","IBBJVLJKTNANGK-DJJIWSAGSA-N","6175310",NA,"PDBC37258","180198","Present"
-"Hydrazinecarbothioamide,N-bis[(2-pyridinyl)methyl]-","","","","","","","","","","","","","","","","","","","","NSC689533","","C1=CC=C(C=C1)C(=NNC(=S)N(CC2=CC=CC=N2)CC3=CC=CC=N3)C4=CC=CC=N4","CIUKMZPIIFWZBP-OLFWJLLRSA-N","5466413",NA,"PDBC37259","689533","Present"
-"Hydrazinecarbothioamide,N-dihexyl-2-[1-(2-pyridyl)ethylidene]-","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, N,N-dihexyl- 2-[1-(2-pyridyl)et...","","CCCCCCN(CCCCCC)C(=S)NN=C(C)C1=CC=CC=N1","DQXBTMPMUFTBIN-RELWKKBWSA-N","5868935",NA,"PDBC37260","647131","Present"
-"Hydrazinecarbothioamide,N-dimethyl-2-[1-(2-pyridinyl)-ethylidene]-, N-oxide","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, N,N-dimethyl-2-[1-(2-pyridinyl)...","","CC(=C1C=CC=CN1O)N=NC(=S)N(C)C","XIKVPEAAQLDJNN-RIWCBFQCSA-N","44384025",NA,"PDBC37261","351078","Present"
-"Hydrazinecarboxamide, 2-(2-(2-(2,6-dioxo-3-piperidinyl)-1-hydroxyethyl)-4,6-dimethylcyclohexylidene)-(9CI)","","","","","","","","","","","","","","","","","","","","Hydrazinecarboxamide, 2-[2-[2-(2,6-dioxo-3-piperidinyl)-...","","CC1CC(C(=NNC(=O)N)C(C1)C(CC2CCC(=O)NC2=O)O)C","GDXCTNPDYIIQKV-RGEXLXHISA-N","9561582",NA,"PDBC37262","63832","Present"
-"Hydrazinecarboxamide, N-(1-naphthyl)-2-[(4-nitrophenyl)methylene]-","","","","","","","","","","","","","","","","","","","","Hydrazinecarboxamide, N-(1-naphthyl)- 2-[(4-nitrophenyl)...","","C1=CC=C2C(=C1)C=CC=C2NC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","QXENDZJUHJOOLP-UNOMPAQXSA-N","5899598",NA,"PDBC37263","674493","Present"
-"Hydrazinecarboximidamide, 2-[(4-bromophenyl)phenylmethyl...","","","","","","","","","","","","","","","","","","","","Hydrazinecarboximidamide, 2-[(4-bromophenyl)phenylmethyl...","","CN=C(N)NN=C(C1=CC=CC=C1)C2=CC=C(C=C2)Br","SOFUQTGDLLAPQE-XMHGGMMESA-N","54611030",NA,"PDBC37264","320884","Present"
-"Hydrazinecarboximidamide,2'-(9H-fluorene-2,7-diyldiethylidyne)bis(N-methyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Hydrazinecarboximidamide, 2,2'-(9H-fluorene-2,7-diyldiet...","","CC(=NNC(=NC)N)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=NNC(=NC)N)C.Cl","ICBFPMCPVJHLFQ-DKXXZCGGSA-N","54610854",NA,"PDBC37265","304393","Present"
-"Hydrazinecarboximidamide,5-dibromo-2-hydroxyphenyl) methylene]-N-hydroxy-, mono(4-methylbenzenesulfonate) (salt)","","","","","","","","","","","","","","","","","","","","Hydrazinecarboximidamide, 2-[(3,5-dibromo-2-hydroxypheny...","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1C=NN=C(N)NO)O)Br)Br","KXIRYSUGSNQDKG-QXKVDVGOSA-N","135493814",NA,"PDBC37266","371168","Present"
-"Hydrazinecarboxylic acid, 2,2'-(2,2,4,4-tetramethyl-1,3-cyclobutanediylidene)bis-, dimethyl ester, (2Z,2'Z)-","","","","","","","","","","","","","","","","","","","","Methyl N-[[3-(methoxycarbonylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]carbamate","","CC1(C(=NNC(=O)OC)C(C1=NNC(=O)OC)(C)C)C","NOJBAENFVGZKHO-UHFFFAOYSA-N","369742",NA,"PDBC37267","641835","Present"
-"Hydrazinecarboxylic acid,4-dimethoxyphenyl)]ethylidene-, methyl ester","","","","","","","","","","","","","","","","","","","","Hydrazinecarboxylic acid, 2-[2-hydroxy-1-(3-hydroxy-6-ni...","","COC1=C(C=C(C=C1)C(C(=NNC(=O)OC)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)OC","DZAKCAVQLVTMAU-KQWNVCNZSA-N","135499178",NA,"PDBC37268","642643","Present"
-"Hydrazinesulfonic acid, disodium salt","","","","","","","","","","","","","","","","","","","","C.I. 15511","","C1=CC=C2C(=C1)C=CC(=C2N(NC3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","GULZZTSWPAFUIG-UHFFFAOYSA-N","24181491",NA,"PDBC37269","9600","Present"
-"Hydrazinium, dimethyl(3,4-dimethoxybenzyl)-, chloride","","","","","","","","","","","","","","","","","","","","NSC97882","","C[N+](C)(CC1=CC(=C(C=C1)OC)OC)N.[Cl-]","JCTSSVJSNCTLIT-UHFFFAOYSA-M","59476",NA,"PDBC37270","97882","Present"
-"Hydrindantin dihydrate","","","","","","","","","","","","","","","","","","","","Hydrindantin dihydrate","","C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O","QHVADKNWNMILPQ-UHFFFAOYSA-N","22232",NA,"PDBC37271","108697","Present"
-"Hydroberberubin","","","","","","","","","","","","","","","","","","","","Hydroberberubin","","COC1=C(C=CC2=C1CN3CCC4=CC5=C(C=C4C3C2)OCO5)O","TUTLRKKYUXPDGN-UHFFFAOYSA-N","276137",NA,"PDBC37272","123389","Present"
-"Hydrocortisone cypionate","","","","","","","","","","","","","","","","","","","","Cortef fluid","","CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC5CCCC5)O)C)O","DLVOSEUFIRPIRM-KAQKJVHQSA-N","223253",NA,"PDBC37273","10721","Present"
-"Hydrodestruxin E","","","","","","","","","","","","","","","","","","","","Hydrodestruxin E","","CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(CO)O)C)C)C(C)C)C","DJYDCIUMNXZSBH-WKUMDAGRSA-N","370711",NA,"PDBC37274","644212","Present"
-"Hydrofluoric acid","","","","","","","","","","","","","","","","","","","","hydrofluoric acid","","F","KRHYYFGTRYWZRS-UHFFFAOYSA-N","14917",NA,"PDBC37275","750679","Present"
-"Hydrogeldanamycin-18,21-diacetate","","","","","","","","","","","","","","","","","","","","hydrogeldanamycin-18,21-diacetate","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2OC(=O)C)C1)OC)OC(=O)C)C)OC)OC(=O)N)C)C)O)OC","SMJLJYSWSZSYCN-QIDZHBFPSA-N","5358471",NA,"PDBC37276","255108","Present"
-"Hydrogen sulfate;4-phenyldithiol-2-ium","","","","","","","","","","","","","","","","","","","","Hydrogen sulfate;4-phenyldithiol-2-ium","","C1=CC=C(C=C1)C2=CS[S+]=C2.OS(=O)(=O)[O-]","DJAIWBPUYKCTQU-UHFFFAOYSA-M","399434",NA,"PDBC37277","710273","Present"
-"Hydrogen sulfite;pyridine","","","","","","","","","","","","","","","","","","","","Hydrogen sulfite;pyridine","","C1=CC=NC=C1.OS(=O)[O-]","IKURQZGIWRHWRE-UHFFFAOYSA-M","6711347",NA,"PDBC37278","620575","Present"
-"Hydrouracil, 5-bromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-fluoro-6-methoxy-","","","","","","","","","","","","","","","","","","","","hydrouracil, 5-bromo-1-(2-deoxy-.beta.-d-erythro-pentofu...","","COC1C(C(=O)NC(=O)N1C2CC(C(O2)CO)O)(F)Br","JXBABPBZPSKYSI-UHFFFAOYSA-N","255402",NA,"PDBC37279","80870","Present"
-"Hydroxobis[5-(phenylsulfonic acid)azotropolonato]bismuth...","","","","","","","","","","","","","","","","","","","","Hydroxobis[5-(phenylsulfonic acid)azotropolonato]bismuth...","","","","",NA,"PDBC37280","635902","Present"
-"Hydroxy AT 125","","","","","","","","","","","","","","","","","","","","Hydroxy AT 125","","C1(C(ON=C1Cl)C(C(=O)O)N)O","KUYDILDQEMQBKJ-ZVHKOUPVSA-N","5351254",NA,"PDBC37281","176324","Present"
-"Hydroxy pyrazolines","","","","","","","","","","","","","","","","","","","","Hydroxy pyrazolines","","COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)COC4=CC=C(C=C4)Cl)OC","TUKFWQHOBDWCLJ-UHFFFAOYSA-N","16111793",NA,"PDBC37282","742096","Present"
-"Hydroxy(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid","","","","","","","","","","","","","","","","","","","","Hydroxy(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid","","CC1(CCC(C1C(=O)NC(C(=O)O)O)(C)C)C","CQOJIXXJTWIFET-UHFFFAOYSA-N","383825",NA,"PDBC37283","672442","Present"
-"Hydroxy(1,2,3,4,4-pentachloro-3-butenyl)azane oxide","","","","","","","","","","","","","","","","","","","","1,1,2,3,4-Pentachloro-4-nitrobut-1-ene","","C(C([N+](=O)[O-])Cl)(C(=C(Cl)Cl)Cl)Cl","JWWMPZYGOIZMQH-UHFFFAOYSA-N","379885",NA,"PDBC37284","665077","Present"
-"Hydroxy(2,3,3-trichloro-1-(1,3-oxathiolan-2-ylidene)-2-propenyl)azane oxide","","","","","","","","","","","","","","","","","","","","Hydroxy(2,3,3-trichloro-1-(1,3-oxathiolan-2-ylidene)-2-propenyl)azane oxide","","C1CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])O1","PGVJTTMMWVCGGG-XQRVVYSFSA-N","3004957",NA,"PDBC37285","665109","Present"
-"Hydroxy(2,3,3-trichloro-1-(dianilinomethylene)-2-propenyl)azane oxide","","","","","","","","","","","","","","","","","","","","Hydroxy(2,3,3-trichloro-1-(dianilinomethylene)-2-propenyl)azane oxide","","C1=CC=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC=C2","IJURCJWRCXZRLF-UHFFFAOYSA-N","379889",NA,"PDBC37286","665081","Present"
-"Hydroxy(3-(4-(hydroxy(oxido)amino)-2-(3-(hydroxy(oxido)amino)phenyl)-5-((phenylimino)methyl)-3-furyl)phenyl)azane oxide","","","","","","","","","","","","","","","","","","","","1-[3-Nitro-4,5-bis(3-nitrophenyl)-2-furyl]-N-phenyl-methanimine","","C1=CC=C(C=C1)N=CC2=C(C(=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]","PWDOPJADXPHLAH-UHFFFAOYSA-N","369748",NA,"PDBC37287","641839","Present"
-"Hydroxy(4-((phenylthio)amino)phenyl)azane oxide","","","","","","","","","","","","","","","","","","","","4'-nitrobenzenesulfenylanilide","","C1=CC=C(C=C1)SNC2=CC=C(C=C2)[N+](=O)[O-]","ZWORRJVNOUBPPJ-UHFFFAOYSA-N","375386",NA,"PDBC37288","655058","Present"
-"Hydroxy(bis(4-isopropylphenyl))acetic acid","","","","","","","","","","","","","","","","","","","","di(p-cumenyl)glycolic acid","","CC(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)C)(C(=O)O)O","WFNUWRHILYVJAG-UHFFFAOYSA-N","275166",NA,"PDBC37289","121818","Present"
-"Hydroxy-2-naphthalenylmethylphosphonic acid","","","","","","","","","","","","","","","","","","","Hydroxy-2-naphthalenylmethylphosphonic acid","","","","","",NA,"PDBC37290","","Absent"
-"Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]cobalt","","","","","","","","","","","","","","","","","","","","Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]cobalt","","","","",NA,"PDBC37291","638276","Present"
-"Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]nickel","","","","","","","","","","","","","","","","","","","","Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]nickel","","","","",NA,"PDBC37292","638278","Present"
-"Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]zinc","","","","","","","","","","","","","","","","","","","","Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]zinc","","","","",NA,"PDBC37293","638281","Present"
-"Hydroxy[4-(2,2-dicarbamoylethenyl)phenyl]methylphosphonic acid","","","","","","","","","","","","","","","","","","","","{[4-(3-Amino-2-carbamoyl-3-oxoprop-1-en-1-yl)phenyl](hydroxy)methyl}phosphonic acid","","C1=CC(=CC=C1C=C(C(=O)N)C(=O)N)C(O)P(=O)(O)O","BLUJIWANNYDSRQ-UHFFFAOYSA-N","364979",NA,"PDBC37294","631881","Present"
-"Hydroxy[4-(2-carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid","","","","","","","","","","","","","","","","","","","","Hydroxy[4-(2-carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid","","C1=CC(=CC=C1C=C(C#N)C(=O)N)C(O)P(=O)(O)O","SMADCEBBMDVFEP-WEVVVXLNSA-N","5388097",NA,"PDBC37295","631880","Present"
-"Hydroxy[4-(2-carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid di-tert-butyl ester","","","","","","","","","","","","","","","","","","","","(E)-3-[4-[Bis[(2-methylpropan-2-yl)oxy]phosphoryl-hydroxymethyl]phenyl]-2-cyanoprop-2-enamide","","CC(C)(C)OP(=O)(C(C1=CC=C(C=C1)C=C(C#N)C(=O)N)O)OC(C)(C)C","KSQOVUNSTXWVOS-RVDMUPIBSA-N","5388683",NA,"PDBC37296","638085","Present"
-"Hydroxyaspergillic acid","","","","","","","","","","","","","","","","","","","","aspergillic acid, hydroxy","","CCC(C)(C1=CN=C(C(=O)N1O)CC(C)C)O","ARNQMQXMJRUMRP-UHFFFAOYSA-N","73679",NA,"PDBC37297","127445","Present"
-"Hydroxybenzoestra-1,5(10),16-tetraen-3-ol","","","","","","","","","","","","","","","","","","","","Hydroxybenzoestra-1,3,5(10),16-tetraen-3-ol","","CC12CCC3C(C1CC4=C2C=C(C=C4)O)CCC5=C3C=CC(=C5)O","JPCPTBJRYDEFGW-MAWFMLJDSA-N","24205962",NA,"PDBC37298","737524","Present"
-"Hydroxyhopane","","","","","","","","","","","","","","","","","","","","Hydroxyhopane","","CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC5C(C)(C)O)C)C)C)C)C","PNJBOAVCVAVRGR-KSSFRSRDSA-N","397488",NA,"PDBC37299","705538","Present"
-"Hydroxyphenylazouracil","","","","","","","","","","","","","","","","","","","","6-(p-Hydroxyphenylazo)uracil","","C1=CC(=CC=C1N=NC2=CC(=O)NC(=O)N2)O","WFCXSZSLXQJFDD-UHFFFAOYSA-N","34444",NA,"PDBC37300","194250","Present"
-"Hydroxypristimerin","","","","","","","","","","","","","","","","","","","","Hydroxypristimerin","","CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(C(C5)O)(C)C(=O)OC)C)C)C)C)O","HDIIUCVOZICRAQ-UHFFFAOYSA-N","320914",NA,"PDBC37301","270057","Present"
-"Hydroxyproline","","","","","","","","","","","","","","","","","","","","Hydroxyproline","","C1C(CNC1C(=O)O)O","PMMYEEVYMWASQN-DMTCNVIQSA-N","5810",NA,"PDBC37302","46704","Present"
-"Hygrophylline","","","","","","","","","","","","","","","","","","","","Hygrophylline","","CC=C1C(C(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C)O","FAFYHPIEFKLDSP-QCDXTXTGSA-N","6449975",NA,"PDBC37303","129152","Present"
-"Hymenolide","","","","","","","","","","","","","","","","","","","","Hymenolide","","CCOC1C2(CC3C(CC(C2CC(O1)O)C)OC(=O)C3=C)C","UIFSGDQXHQSWGC-UHFFFAOYSA-N","282785",NA,"PDBC37304","136720","Present"
-"Hymenoxin","","","","","","","","","","","","","","","","","","","","Hymenoxin","","COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC","QCOSAYZZNVASNN-UHFFFAOYSA-N","171488",NA,"PDBC37305","655980","Present"
-"Hymenoxynin","","","","","","","","","","","","","","","","","","","","Hymenoxynin","","CC1CC2C(CC3(C1CCOC3OC4C(C(C(C(O4)CO)O)O)O)C)C(C(=O)O2)C","CLKCCQOMLNZYFZ-UHFFFAOYSA-N","282786",NA,"PDBC37306","136721","Present"
-"Hymexazol","","","","","","","","","","","","","","","","","","","","hymexazol","","CC1=CC(=O)NO1","KGVPNLBXJKTABS-UHFFFAOYSA-N","24781",NA,"PDBC37307","217971","Present"
-"Hyocholic acid","","","","","","","","","","","","","","","","","","","","Hyocholic acid","","CC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C","DKPMWHFRUGMUKF-YBESUZSRSA-N","376830",NA,"PDBC37308","657948","Present"
-"Hypoglaucin F","","","","","","","","","","","","","","","","","","","","Hypoglaucin F","","CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(CO)COC9C(C(C(C(O9)CO)O)O)O)O","LZLSKJDKROEGTA-VNWQZGEJSA-N","6712589",NA,"PDBC37309","698794","Present"
-"Hypoglaucin G","","","","","","","","","","","","","","","","","","","","Hypoglaucin G","","CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)C)O)O)O)OC4CCC5(C6CCC7(C(C6CC=C5C4)CC(C7C(=O)C)OC(=O)CCC(C)COC8C(C(C(C(O8)CO)O)O)O)C)C)CO)O)O)O","OJBSJPFDQZUALV-AJUKOJNSSA-N","6712590",NA,"PDBC37310","698795","Present"
-"Hypophyllanthin","","","","","","","","","","","","","","","","","","","","Hypophyllanthin","","COCC1CC2=CC(=C3C(=C2C(C1COC)C4=CC(=C(C=C4)OC)OC)OCO3)OC","LBJCUHLNHSKZBW-DSSITSQDSA-N","358902",NA,"PDBC37311","619044","Present"
-"Hypopistephanine","","","","","","","","","","","","","","","","","","","","hypopistephanine","","CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6=NCCC7=CC(=C(C(=C76)O3)OC)OC)C=C5)OC","FKHCVUFZOFEROS-MUUNZHRXSA-N","6711179",NA,"PDBC37312","135070","Present"
-"Hyrcanoside","","","","","","","","","","","","","","","","","","","","hyrcanoside","","CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5=CC(CCC35C=O)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O","HFXNSSUZFCOFIY-JJRUEEJWSA-N","318696",NA,"PDBC37313","256926","Present"
-"IACS-10759","","","","","","","","","","","","","","","","","","","","IACS-10759","","CC1=NC(=NN1CC2=CC(=CC=C2)N3CCC(CC3)S(=O)(=O)C)C4=NC(=NO4)C5=CC=C(C=C5)OC(F)(F)F","HWJWNWZJUYCGKV-UHFFFAOYSA-N","86711931",NA,"PDBC37314","809972","Present"
-"IACS-8968","","","","","","","","","","","","","","","","","","","","IACS-8968","","CC1(CN(CCC12C(=O)NC(=O)N2)C3=CC(=CC4=CN=CN34)C(F)(F)F)C","UBMTZODMRPHSBC-UHFFFAOYSA-N","132060309",NA,"PDBC37315","811953","Present"
-"ICRF 202","","","","","","","","","","","","","","","","","","","","ICRF 202","","CCC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","WEMJBSKVBVVFQG-UHFFFAOYSA-N","311908",NA,"PDBC37316","218457","Present"
-"IDAAYIXNILONEM-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","IDAAYIXNILONEM-UHFFFAOYSA-N","","C1CN(CCN(CCN1)CP(=O)(O)O)CP(=O)(O)O","IDAAYIXNILONEM-UHFFFAOYSA-N","393903",NA,"PDBC37317","696864","Present"
-"IDF-11774","","","","","","","","","","","","","","","","","","","","IDF-11774","","CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4","QGBBBLPWBSWERZ-UHFFFAOYSA-N","71542096",NA,"PDBC37318","805596","Present"
-"IDH-305","","","","","","","","","","","","","","","","","","","","IDH-305","","CC1=CC(=NC=C1C2=CC(=NC=C2)C(F)(F)F)C(C)NC3=NC=CC(=N3)N4C(COC4=O)C(C)F","DCGDPJCUIKLTDU-SUNYJGFJSA-N","90415637",NA,"PDBC37319","812928","Present"
-"IDH-C227","","","","","","","","","","","","","","","","","","","","IDH-C227","","CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CNC4=CC=C(C=C4)C#N","AATMNHPDEZNXEK-UHFFFAOYSA-N","56645961",NA,"PDBC37320","772564","Present"
-"IDH1-Comp 301","","","","","","","","","","","","","","","","","","","","IDH1-Comp 301","","CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CNC4=C(C=CC=N4)F","WKLCHSFNIRRXPK-UHFFFAOYSA-N","56646566",NA,"PDBC37321","768539","Present"
-"IDI1_014313","","","","","","","","","","","","","","","","","","","","IDI1_014313","","CC(=C1CCOC1=O)NC2=CC=C(C=C2)F","TWEZLQROPIJJDQ-DHZHZOJOSA-N","2815996",NA,"PDBC37322","680782","Present"
-"IDI1_016744","","","","","","","","","","","","","","","","","","","","IDI1_016744","","CC1C(N(C(CC1=NO)C2=CC=CC=C2)C)C3=CC=CC=C3","WRZFUOOSXMQGBT-JZJYNLBNSA-N","5722064",NA,"PDBC37323","363769","Present"
-"IDI1_020241","","","","","","","","","","","","","","","","","","","","IDI1_020241","","CN(C)C1=CC=C(C=C1)C=C(C#N)C(=C(C#N)C#N)N","QUMMZKVVUJLANA-KPKJPENVSA-N","5866373",NA,"PDBC37324","659124","Present"
-"IDI1_026515","","","","","","","","","","","","","","","","","","","","IDI1_026515","","COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)SC","KVPDHBLADVOVQH-YFHOEESVSA-N","135484994",NA,"PDBC37325","684331","Present"
-"IFLab1_000359","","","","","","","","","","","","","","","","","","","","IFLab1_000359","","CC1=NC(=CS1)C2=CC3=C(C=CC(=C3)OC)OC2=O","LIAJMGUHCYPMTB-UHFFFAOYSA-N","389236",NA,"PDBC37326","684989","Present"
-"IFLab1_000509","","","","","","","","","","","","","","","","","","","","IFLab1_000509","","C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)N2","FXNKQWYBLXKGFU-UHFFFAOYSA-N","135411929",NA,"PDBC37327","133074","Present"
-"IFLab1_000623","","","","","","","","","","","","","","","","","","","","IFLab1_000623","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=C(C=C4)F","WUXCRRLYEAAGNH-UHFFFAOYSA-N","395984",NA,"PDBC37328","701108","Present"
-"IFLab1_000850","","","","","","","","","","","","","","","","","","","","IFLab1_000850","","C1=CC=C2C(=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4C(=O)N3","IOHWHJVTNWBILZ-UHFFFAOYSA-N","135449176",NA,"PDBC37329","684974","Present"
-"IFLab1_001289","","","","","","","","","","","","","","","","","","","","IFLab1_001289","","C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=CC=C3","YPYYQRMPSLYSNZ-UHFFFAOYSA-N","373871",NA,"PDBC37330","650834","Present"
-"IFLab1_004430","","","","","","","","","","","","","","","","","","","","IFLab1_004430","","C1CN(CCN1CC2=CNC3=CC=CC=C32)C4=NC=CC=N4","GKKBEFXMNBECNL-UHFFFAOYSA-N","401019",NA,"PDBC37331","713724","Present"
-"IFLab1_004437","","","","","","","","","","","","","","","","","","","","IFLab1_004437","","COC1=CC=C(C=C1)N=C2C(=CC3=CC=CC=C3O2)C(=O)N","HNLCSIFQKRXZRU-UHFFFAOYSA-N","395973",NA,"PDBC37332","701097","Present"
-"IFLab1_005102","","","","","","","","","","","","","","","","","","","","IFLab1_005102","","CC1=C(C=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N)C","OEBCIEVXOKKWFD-UHFFFAOYSA-N","360696",NA,"PDBC37333","623032","Present"
-"IFN-1 Inducer C3","","","","","","","","","","","","","","","","","","","","2-[2-(diethylamino)ethyl]indeno[1,2,3-de]phthalazin-3(2H...","","CCN(CC)CCN1C(=O)C2=C3C(=CC=C2)C4=CC=CC=C4C3=N1","XNRPWZMOVUAHLY-UHFFFAOYSA-N","2052803",NA,"PDBC37334","782149","Present"
-"IGMYVWWOMXTEHQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","IGMYVWWOMXTEHQ-UHFFFAOYSA-N","","CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F","IGMYVWWOMXTEHQ-UHFFFAOYSA-N","384771",NA,"PDBC37335","675207","Present"
-"IH1L3XQE7W","","","","","","","","","","","","","","","","","","","","IH1L3XQE7W","","CC1=C(C2=C(N1C)C3=CC=CC=C3N=N2)C(=O)C","LMLWGKUBBGQXPP-UHFFFAOYSA-N","339250",NA,"PDBC37336","365081","Present"
-"IHF9400U6R","","","","","","","","","","","","","","","","","","","","IHF9400U6R","","CCOC(=O)C1=C(C(=O)C2=C(C1=O)OC=C2)O","SXWXRCPGUHMLLI-UHFFFAOYSA-N","54686232",NA,"PDBC37337","651210","Present"
-"IHJNIXUYERUSID-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","IHJNIXUYERUSID-UHFFFAOYSA-N","","CC1=NNC(=S)N(C1=S)C","IHJNIXUYERUSID-UHFFFAOYSA-N","3312751",NA,"PDBC37338","58614","Present"
-"IJMFPLCNJHBGRO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","IJMFPLCNJHBGRO-UHFFFAOYSA-N","","COC1=NC2=C(N=C1NCC3=CC=CC=C3)N=C(N=C2N4CCCC4)N5CCNCC5","IJMFPLCNJHBGRO-UHFFFAOYSA-N","403201",NA,"PDBC37339","717856","Present"
-"IKK-3 Inhibitor","","","","","","","","","","","","","","","","","","","","GSK319347A","","COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4=CC=CC=C4S(=O)(=O)C)OC","LDTAHRLHGHFHKP-UHFFFAOYSA-N","11626927",NA,"PDBC37340","756172","Present"
-"IL2-PE40","","","","","","","","","","","","","","","","","","","","IL2-PE40","","","","",NA,"PDBC37341","623434","Present"
-"IL4(38-37)-PE38 toxin","","","","","","","","","","","","","","","","","","","","IL4(38-37)-PE38 toxin","","","","",NA,"PDBC37342","677088","Present"
-"IL4(38-37)-PE38KDEL","","","","","","","","","","","","","","","","","","","","IL4(38-37)-PE38KDEL","","","","",NA,"PDBC37343","673267","Present"
-"IL6-PE40","","","","","","","","","","","","","","","","","","","","IL6-PE40","","","","",NA,"PDBC37344","623435","Present"
-"ILIMAQUINONE","","","","","","","","","","","","","","","","","","","","ILIMAQUINONE","","CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2(C)C)C","ZMWPUCGPHZVIMQ-UHFFFAOYSA-N","329293",NA,"PDBC37345","311040","Present"
-"IMJKFJZKKOFDFI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","IMJKFJZKKOFDFI-UHFFFAOYSA-N","","C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)I)N","IMJKFJZKKOFDFI-UHFFFAOYSA-N","399249",NA,"PDBC37346","709926","Present"
-"IMKHPTXYFMGMDE-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","IMKHPTXYFMGMDE-UHFFFAOYSA-N","","C1=CC(=CC=C1C=C2C(=C(C(=C2Cl)Cl)Cl)Cl)[N+](=O)[O-]","IMKHPTXYFMGMDE-UHFFFAOYSA-N","225001",NA,"PDBC37347","14034","Present"
-"INCB-047775","","","","","","","","","","","","","","","","","","","","INCB-047775","","CN1C(=C(C=N1)C#N)C2=CC3=C(C=C2)C(=O)N(C3)C(CC4=CC(=CC=C4)F)CN","QXRHOURHCGFDIM-IBGZPJMESA-N","89499684",NA,"PDBC37348","792847","Present"
-"INCB-057643","","","","","","","","","","","","","","","","","","","","INCB-057643","","CC1(C(=O)N(C2=CC(=CC(=C2O1)C3=CN(C(=O)C4=C3C=CN4)C)S(=O)(=O)C)C)C","VZSAMEOETVNDQH-UHFFFAOYSA-N","118467751",NA,"PDBC37349","807398","Present"
-"INCB-54329","","","","","","","","","","","","","","","","","","","","INCB-54329","","CC1=C(C(=NO1)C)C2=C3C4=C(C=C2)NC(=O)N4C(CO3)C5=CC=CC=N5","XYLPKCDRAAYATL-OAHLLOKOSA-N","90410660",NA,"PDBC37350","816024","Present"
-"IPDPPISLQQOKEV-NTCAYCPXSA-N","","","","","","","","","","","","","","","","","","","","IPDPPISLQQOKEV-NTCAYCPXSA-N","","CC(=O)NC1=CC(=NC(=O)C)C2=CC=CC=C2C1=O","IPDPPISLQQOKEV-UHFFFAOYSA-N","231115",NA,"PDBC37351","26697","Present"
-"IQF5NPS3ZY","","","","","","","","","","","","","","","","","","","","IQF5NPS3ZY","","C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)C=O","ZYSUCKDURHLPJA-UHFFFAOYSA-N","309754",NA,"PDBC37352","212183","Present"
-"IRQ11YJ3RC","","","","","","","","","","","","","","","","","","","","IRQ11YJ3RC","","CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","MXFQAZZHZMQRRV-UHFFFAOYSA-N","334248",NA,"PDBC37353","338644","Present"
-"ISARIIN","","","","","","","","","","","","","","","","","","","","ISARIIN","","CCCCCCCCCC1CC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)C)CC(C)C)C(C)C","KIJLRIARMCGDJZ-UHFFFAOYSA-N","421508",NA,"PDBC37354","135015","Present"
-"ISODONOL","","","","","","","","","","","","","","","","","","","","ISODONOL","","CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C","SDHTXBWLVGWJFT-JICVRJLYSA-N","317640",NA,"PDBC37355","250682","Present"
-"ISONICOTINIC ACID, (m-HYDROXYBENZYLIDENE)HYDRAZIDE","","","","","","","","","","","","","","","","","","","","acroteben","","C1=CC(=CC(=C1)O)C=NNC(=O)C2=CC=NC=C2","WJVBIMBJLVWPNE-DHDCSXOGSA-N","5367262",NA,"PDBC37356","33761","Present"
-"ITRI-260","","","","","","","","","","","","","","","","","","","","ITRI-260","","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C5C=CC=CC=C5NC4=O","RVWJTUZNUGTTEB-UHFFFAOYSA-N","136040109",NA,"PDBC37357","761879","Present"
-"IVPHCTWPFNQVGS-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","IVPHCTWPFNQVGS-UHFFFAOYSA-N","","C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)O","IVPHCTWPFNQVGS-UHFFFAOYSA-N","385226",NA,"PDBC37358","676339","Present"
-"Iadademstat","","","","","","","","","","","","","","","","","","","","RG-6016","","C1CC(CCC1N)NC2CC2C3=CC=CC=C3","ALHBJBCQLJZYON-PFSRBDOWSA-N","71543365",NA,"PDBC37359","806812","Present"
-"Ibotenic acid","","","","","","","","","","","","","","","","","","","","ibotenic acid","","C1=C(ONC1=O)C(C(=O)O)N","IRJCBFDCFXCWGO-UHFFFAOYSA-N","1233",NA,"PDBC37360","204850","Present"
-"Ibozol","","","","","","","","","","","","","","","","","","","","Ibozol","","","","",NA,"PDBC37361","290135","Present"
-"Ibuprofen","","","","","","","","","","","","","","","","","","","","dolgit","","CC(C)CC1=CC=C(C=C1)C(C)C(=O)O","HEFNNWSXXWATRW-UHFFFAOYSA-N","3672",NA,"PDBC37362","256857","Present"
-"Idaltim","","","","","","","","","","","","","","","","","","","","Cortivazol","","CC1CC2C3C=C(C4=CC5=C(CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C","RKHQGWMMUURILY-UHFFFAOYSA-N","416706",NA,"PDBC37363","80998","Present"
-"Idebenone","","","","","","","","","","","","","","","","","","","","IDEBENONE","","CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO","JGPMMRGNQUBGND-UHFFFAOYSA-N","3686",NA,"PDBC37364","759228","Present"
-"Ido1-IN-5","","","","","","","","","","","","","","","","","","","","LY-3381916","","CC(C1=CC2=C(C=C1)N(CC2)C(=O)C3CCOCC3)NC(=O)C4=CC=C(C=C4)F","NUBWFWVVKLRSHS-OAHLLOKOSA-N","132209614",NA,"PDBC37365","817042","Present"
-"Iejimalide A.","","","","","","","","","","","","","","","","","","","","Iejimalide A.","","CC1C=CC(=CC(CC=CC(=CCCC(C=CC=CC(C(OC(=O)C=C1)C(=CC=C(C)CNC(=O)C(CO)NC=O)C)C)OC)C)OC)C","FAVMTJDTJCBNEZ-OLPGYQLXSA-N","5473233",NA,"PDBC37366","724579","Present"
-"Iejimalide B","","","","","","","","","","","","","","","","","","","","Iejimalide B","","CC1C=CC(=CC(CC=CC(=CCCC(C=CC=CC(C(OC(=O)C(=C1)C)C(=CC=C(C)CNC(=O)C(CO)NC=O)C)C)OC)C)OC)C","YVOFDUHVTLZRBY-BAGQDGEZSA-N","24203378",NA,"PDBC37367","727699","Present"
-"IiPrim.HBF4","","","","","","","","","","","","","","","","","","","","IiPrim.HBF4","","","","",NA,"PDBC37368","664858","Present"
-"Ikesweoghpmerw-wsokhjqssa-","","","","","","","","","","","","","","","","","","","","IKESWEOGHPMERW-WSOKHJQSSA-","","C1C(C2=C(SC(=C2C1Br)Br)Br)Br","IKESWEOGHPMERW-WSOKHJQSSA-N","396947",NA,"PDBC37369","704128","Present"
-"Illimaquinone","","","","","","","","","","","","","","","","","","","","Illimaquinone","","CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2=C)C","JJWITJNSXCXULM-JNOSEJNHSA-N","372514",NA,"PDBC37370","647642","Present"
-"Illudin M","","","","","","","","","","","","","","","","","","","","illudin m","","CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)C)O","QVMDIQLUNODCTG-OCCSQVGLSA-N","344199",NA,"PDBC37371","400978","Present"
-"Illudin S","","","","","","","","","","","","","","","","","","","","illudin s","","CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)O","DDLLIYKVDWPHJI-RDBSUJKOSA-N","344200",NA,"PDBC37372","400979","Present"
-"Illudine M","","","","","","","","","","","","","","","","","","","","NSC626370","","CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)C)O","QVMDIQLUNODCTG-UHFFFAOYSA-N","101108",NA,"PDBC37373","626370","Present"
-"Illudosin","","","","","","","","","","","","","","","","","","","","Illudosin","","CC(=C1C(CC1(C)C2CC(CC2O)(C)C)O)C=O","NAUZEYXSLBTBJP-JTBWSRHCSA-N","11970001",NA,"PDBC37374","651436","Present"
-"Ilmofosine","","","","","","","","","","","","","","","","","","","","Ilmofosine","","CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C","ODEDPKNSRBCSDO-UHFFFAOYSA-N","55008",NA,"PDBC37375","601679","Present"
-"Ilorasertib","","","","","","","","","","","","","","","","","","","","ABT-348","","C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)N","WPHKIQPVPYJNAX-UHFFFAOYSA-N","46207586",NA,"PDBC37376","765889","Present"
-"Imacidin C","","","","","","","","","","","","","","","","","","","","Imacidin C","","CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)O)C)CC2=CN=CN2)C(C)O)NC(=O)C(C)NC(=O)C(CC3=CN=CN3)NC(=O)CCCNC(=O)C(CC(C)C)NC(=O)C(CS(=O)(=O)O)NC(=O)CC(CCCCCCCC(C)C)O","MGLOHMZSHYDHJO-UHFFFAOYSA-N","434769",NA,"PDBC37377","356891","Present"
-"Imexon","","","","","","","","","","","","","","","","","","","","NSC313425///NSC714597","","C1C2N1C(=O)N=C2N","BIXBBIPTYBJTRY-UHFFFAOYSA-N","68791",NA,"PDBC37378","313425///714597","Present"
-"Imidazo[1, 2,2'-[(1,4-piperazinediyl)bis(iminomethyl-4,1-phenylene)]bis[1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)","","","","","","","","","","","","","","","","","","","","Imidazo[1,2-a]pyridinium, 2,2'-[(1,4-piperazinediyl)bis(...","","CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)C=NN4CCN(CC4)N=CC5=CC=C(C=C5)C6=C[N+]7=CC=CC=C7N6C","UUXGYURBDCMEDN-MQMDJENKSA-M","54600618",NA,"PDBC37379","370656","Present"
-"Imidazo[1, 2,2'-[(2,4-pyrimidinediyl)bis(hydrazonomethyl-4,1-phenylene)]bis[1-methyl-, dibromide","","","","","","","","","","","","","","","","","","","","Imidazo[1,2-a]pyridinium, 2,2'-[(2,4-pyrimidinediyl)bis(...","","C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C=NNC4=NC(=NC=C4)NN=CC5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C.[Br-]","MZINXGYAYHIFQJ-WJZAWYQZSA-M","54611256",NA,"PDBC37380","375166","Present"
-"Imidazo[1, 2,2'-[1,4-phenylenebis (carbonylimino-4,1-phenylene)]bis[1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)","","","","","","","","","","","","","","","","","","","","Imidazo[1,2-a]pyridinium, 2,2'-[1,4-phenylenebis (carbon...","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C","MPNHGVZJOMAZIH-UHFFFAOYSA-O","24201917",NA,"PDBC37381","603173","Present"
-"Imidazo[1, 2-[4-[[(4,5-dihydro-1H-imidazol-2-yl)hydrazono]methyl]phenyl]-, (4,5-dihydro-1H-imidazol-2-yl)hydrazone, dihydroiodide","","","","","","","","","","","","","","","","","","","","Imidazo[1,2-a]pyridine-6-carboxaldehyde, 2-[4-[[(4,5-dih...","","C1CN=C(N1)NN=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=NNC5=NCCN5.I","USXOJKBUSVWQDU-NJFKTRIISA-N","54601905",NA,"PDBC37382","375162","Present"
-"Imidazo[1, 7-chloro-2-ethyl-2,3-dihydro-, monohydrobromide","","","","","","","","","","","","","","","","","","","","Imidazo[1,2-f]phenanthridine, 7-chloro-2-ethyl-2,3-dihyd...","","CCC1CN2C3=C(C=C(C=C3)Cl)C4=CC=CC=C4C2=N1.Br","QQFMWHXFBCKESO-UHFFFAOYSA-N","21144540",NA,"PDBC37383","165967","Present"
-"Imidazo[1,2-a]pyridin-2-ylmethyl carbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC652563","","C1=CC2=NC(=CN2C=C1)CSC(=N)N.Cl","VUXARIKFPIFJIG-UHFFFAOYSA-N","374591",NA,"PDBC37384","652563","Present"
-"Imidazo[1,2-a]pyridin-3-amine, 2-(2-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","Imidazo[1,2-a]pyridin-3-amine, 2-(2-nitrophenyl)-","","C1=CC=C(C(=C1)C2=C(N3C=CC=CC3=N2)N)[N+](=O)[O-]","XMQOVBYZRVZTAQ-UHFFFAOYSA-N","374758",NA,"PDBC37385","653002","Present"
-"Imidazo[1,2-a]pyrrolo[2,1-c]pyrazin-6(5H)-one, 2-[3-[(diaminomethyl)amino]propyl]-8,9,10,10a-tetrahydro-5-(phenylmethyl)-, trifluoroacetate (1:1)","","","","","","","","","","","","","","","","","","","","7-Benzyl-4-[3-(diaminomethylamino)propyl]-3,6,9-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-8-one;2,2,2-trifluoroacetic acid","","C1CC2C3=NC(=CN3C(C(=O)N2C1)CC4=CC=CC=C4)CCCNC(N)N.C(=O)(C(F)(F)F)O","AMNFLZQCUTXKPW-UHFFFAOYSA-N","370657",NA,"PDBC37386","644022","Present"
-"Imidazo[1,2-f]phenanthridine, 7-bromo-2,3-dihydro-","","","","","","","","","","","","","","","","","","","","Imidazo[1,2-f]phenanthridine, 7-bromo-2,3-dihydro-","","C1CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C4C2=N1","GGTUYXVFIHQMPI-UHFFFAOYSA-N","286440",NA,"PDBC37387","144619","Present"
-"Imidazo[1,2-f]phenanthridine, 7-chloro-2,3-dihydro-","","","","","","","","","","","","","","","","","","","","Imidazo[1,2-f]phenanthridine, 7-chloro-2,3-dihydro-","","C1CN2C3=C(C=C(C=C3)Cl)C4=CC=CC=C4C2=N1","KMDWKSYBWOTXEV-UHFFFAOYSA-N","285027",NA,"PDBC37388","141591","Present"
-"Imidazo[1,3,5-triazine-4(6H)-thione, 2-(ethylthio)-7,8-dihydro-8-methyl-, monohydriodide","","","","","","","","","","","","","","","","","","","","Imidazo[1,2-A]-1,3,5-triazine-4(6H)-thione, 2-(ethylthio...","","CCSC1=NC(=S)N2CCN(C2=N1)C.I","HAFNGYZNLGGWFH-UHFFFAOYSA-N","367856",NA,"PDBC37389","638022","Present"
-"Imidazo[2, 6,6'-[1,4-phenylenebis(carbonyl-2-hydrazinyl-1-ylidenemethylidyne-4,1-phenylene)] bis[7-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)","","","","","","","","","","","","","","","","","","","","Imidazo[2,1-b]thiazolium, 6,6'-[1,4-phenylenebis(carbony...","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2N(C=CS2)C=C1C3=CC=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)C(=O)NN=CC5=CC=C(C=C5)C6=CN7C=CSC7=[N+]6C","POGXQVFHNCHAKS-HFKCXBGZSA-O","54601080",NA,"PDBC37390","380478","Present"
-"Imidazo[2, 6,6'-[1,4-piperazinediylbis(nitrilomethylidyne-4,1-phenylene)]bis[7-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)","","","","","","","","","","","","","","","","","","","","Imidazo[2,1-b]thiazolium, 6,6'-[1,4-piperazinediylbis(ni...","","CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(=C[N+]2=C1SC=C2)C3=CC=C(C=C3)C=NN4CCN(CC4)N=CC5=CC=C(C=C5)C6=C[N+]7=C(N6C)SC=C7","CDPWGVCQQSRXAC-PSJIBMFASA-M","54608632",NA,"PDBC37391","365174","Present"
-"Imidazo[2,1-b][1,3,5]benzothiadiazepin-5(6H)-imine","","","","","","","","","","","","","","","","","","","","Imidazo[2,1-b][1,3,5]benzothiadiazepin-5(6H)-imine","","C1=CC=C2C(=C1)N=C(N3C=CN=C3S2)N","XSJGFYNJTNVSGI-UHFFFAOYSA-N","383199",NA,"PDBC37392","671317","Present"
-"Imidazo[2,1-b]naphtho[1,2-d][1,3]thiazole-9,10-dione","","","","","","","","","","","","","","","","","","","","Imidazo[2,1-b]naphtho[1,2-d][1,3]thiazole-9,10-dione","","C1=CC=C2C(=C1)C=CC3=C2N4C(=O)C(=O)N=C4S3","VKEGMUAOYDGTAA-UHFFFAOYSA-N","364992",NA,"PDBC37393","631901","Present"
-"Imidazo[2,1-b]thiazole-5-carboxamide, N-[[(4-chlorophenyl)amino]carbonyl]-6-methyl-","","","","","","","","","","","","","","","","","","","","Imidazo[2,1-b]thiazole-5-carboxamide, N-[[(4-chlorophenyl)amino]carbonyl]-6-methyl-","","CC1=C(N2C=CSC2=N1)C(=O)NC(=O)NC3=CC=C(C=C3)Cl","FWIOGAPTLUEGGG-UHFFFAOYSA-N","365522",NA,"PDBC37394","633210","Present"
-"Imidazo[2,1-b]thiazole-5-carboxamide,N-[(4-chlorophenyl)-aminocarbonyl]-","","","","","","","","","","","","","","","","","","","","Imidazo[2,1-b]thiazole-5-carboxamide, N-[(4-chlorophenyl...","","C1=CC(=CC=C1NC(=O)NC(=O)C2=C(N=C3N2C=CS3)Cl)Cl","CQGMCYMCGKVWNT-UHFFFAOYSA-N","365521",NA,"PDBC37395","633209","Present"
-"Imidazol-1-yl-[(1R,2R,5S,8R,9R,10R,13R,14R,20R)-1,2,14,19,19-pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosan-5-yl]methanone","","","","","","","","","","","","","","","","","","","","3-Deoxy-3-homo-3-azalup-20(29)-en-28-imidazolide-28-oic ...","","CC(=C)C1CCC2(C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)N6C=CN=C6","UOIXZWOPPNULIV-RUGINJLXSA-N","155816347",NA,"PDBC37396","792898","Present"
-"Imidazole ketone erastin","","","","","","","","","","","","","","","","","","","","Imidazole ketone erastin","","CC(C)OC1=C(C=C(C=C1)C(=O)CN2C=CN=C2)N3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C(=O)COC6=CC=C(C=C6)Cl","PSPXJPWGVFNGQI-UHFFFAOYSA-N","91824786",NA,"PDBC37397","819610","Present"
-"Imidazole, 1-(4-chlorophenyl)-4-(4-nitrophenyl)-","","","","","","","","","","","","","","","","","","","","Imidazole, 1-(4-chlorophenyl)-4-(4-nitrophenyl)-","","C1=CC(=CC=C1C2=CN(C=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]","QTTWMQTWLLSYCK-UHFFFAOYSA-N","355940",NA,"PDBC37398","610744","Present"
-"Imidazole-4-carboxamide, 5-(3-butyl-3-methyl-1-triazeno)-","","","","","","","","","","","","","","","","","","","","Imidazole-4-carboxamide, 5-(3-butyl-3-methyl-1-triazeno)- (8CI)","","CCCCN(C)N=NC1=C(NC=N1)C(=O)N","MNYIKAMATCANTQ-BUHFOSPRSA-N","135460287",NA,"PDBC37399","70874","Present"
-"Imidazole-4-carboxamide, 5-(3-cyclohexyl)-3-methyl-1-triazeno)-","","","","","","","","","","","","","","","","","","","","Imidazole-4-carboxamide, 5-(3-cyclohexyl)-3-methyl-1-tri...","","CN(C1CCCCC1)N=NC2=C(NC=N2)C(=O)N","RHFNBVHPCYWCNV-FOCLMDBBSA-N","135491034",NA,"PDBC37400","83111","Present"
-"Imidazole-4-carboxamide, 5-[3-(2-hydroxyethyl)-3-methyl-1-triazeno]-","","","","","","","","","","","","","","","","","","","","Imidazole-4-carboxamide, 5-[3-(2-hydroxyethyl)-3-methyl-...","","CN(CCO)N=NC1=C(NC=N1)C(=O)N","RZHQCXZQPHOUHK-VAWYXSNFSA-N","135491035",NA,"PDBC37401","83112","Present"
-"Imidazole-5-one deri","","","","","","","","","","","","","","","","","","","","Imidazole-5-one deri","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=CC=C4O)C3=O)C5=CC=CC=C5","AFKAXPNLZZOGSZ-OQKWZONESA-N","26476967",NA,"PDBC37402","740613","Present"
-"Imino-bis(2-nitrophenyl)-$l^{4}-sulfane","","","","","","","","","","","","","","","","","","","","bis(2-Nitrophenyl)sulfilimine","","C1=CC=C(C(=C1)[N+](=O)[O-])S(=N)C2=CC=CC=C2[N+](=O)[O-]","TZLICMVQPAOMDK-UHFFFAOYSA-N","371591",NA,"PDBC37403","645984","Present"
-"Iminostilbene","","","","","","","","","","","","","","","","","","","","iminostilbene","","C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2","LCGTWRLJTMHIQZ-UHFFFAOYSA-N","9212",NA,"PDBC37404","123458","Present"
-"Immucillin-H hydrochloride","","","","","","","","","","","","","","","","","","","","Forodesine","","C1=C(C2=C(N1)C(=O)NC=N2)C3C(C(C(N3)CO)O)O.Cl","WEIAMZKHBCLFOG-UHFFFAOYSA-N","135436309",NA,"PDBC37405","717904","Present"
-"Immune Factor Extract from C57B6/6 black mouse","","","","","","","","","","","","","","","","","","","","Immune Factor Extract from C57B6/6 black mouse","","","","",NA,"PDBC37406","633655","Present"
-"Immune Factor Extract from DBA/2 light grey mouse","","","","","","","","","","","","","","","","","","","","Immune Factor Extract from DBA/2 light grey mouse","","","","",NA,"PDBC37407","633654","Present"
-"Immune system released activating agent (ISRAA, Mus musc...","","","","","","","","","","","","","","","","","","","","Immune system released activating agent (ISRAA, Mus musc...","","","","",NA,"PDBC37408","784751","Present"
-"Improsulfan hydrochloride","","","","","","","","","","","","","","","","","","","","Yoshi 864","","CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl","YWCASUPWYFFUHE-UHFFFAOYSA-N","5284401",NA,"PDBC37409","102627","Present"
-"Incarnal","","","","","","","","","","","","","","","","","","","","Incarnal","","CC1(CC2(C(=CC3=CC(=O)C(=C)C32C)C1=O)O)C","JHGIQUYJFHGGCR-YSSOQSIOSA-N","372731",NA,"PDBC37410","648322","Present"
-"Incomptina B","","","","","","","","","","","","","","","","","","","","Incomptina B","","CC1=CC2C(C(CC3(C(O3)C=C1)C)O)C(=C)C(=O)O2","XTYQOHXCXBVUDL-ONYWMFJLSA-N","54612584",NA,"PDBC37411","685707","Present"
-"Indan-1-yl 2-diazoacetate","","","","","","","","","","","","","","","","","","","","indan-1-yl 2-diazoacetate","","C1CC2=CC=CC=C2C1OC(=O)C=[N+]=[N-]","PLOZLBFNVLSYNM-UHFFFAOYSA-N","386744",NA,"PDBC37412","679284","Present"
-"Indan-2-one semicarbazone","","","","","","","","","","","","","","","","","","","","(Indan-2-ylideneamino)urea","","C1C(=NNC(=O)N)CC2=CC=CC=C21","AJEBZDQFTJNVRJ-UHFFFAOYSA-N","378061",NA,"PDBC37413","659752","Present"
-"Indan-2-yl 2-diazoacetate","","","","","","","","","","","","","","","","","","","","indan-2-yl 2-diazoacetate","","C1C(CC2=CC=CC=C21)OC(=O)C=[N+]=[N-]","UVBIEVTXDKWALN-UHFFFAOYSA-N","386746",NA,"PDBC37414","679285","Present"
-"Indanocine","","","","","","","","","","","","","","","","","","","","Indanocine","","CC1=CC(=CC(=C1O)C)C=C2CC3=CC(=C(C(=C3C2=O)N)OC)OC","KJTPWUVVLPCPJD-VGOFMYFVSA-N","5470230",NA,"PDBC37415","698666","Present"
-"Indanthren Corinth RK","","","","","","","","","","","","","","","","","","","","indanthren corinth rk","","C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7C3=O","SJXWLTLBIFRQQM-UHFFFAOYSA-N","5351878",NA,"PDBC37416","74702","Present"
-"Indazole analogue 17","","","","","","","","","","","","","","","","","","","","SB-742864","","CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)C4CC4","FUQAHBLEGDXXKS-UHFFFAOYSA-N","6539599",NA,"PDBC37417","756483","Present"
-"Indazole analogue 18","","","","","","","","","","","","","","","","","","","","SB-742865","","CS(=O)(=O)NC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)C4CC4","PXDJFHKHAHQLSC-UHFFFAOYSA-N","6539600",NA,"PDBC37418","756484","Present"
-"Indene, 1-(4-guanylaminobenzylidene)","","","","","","","","","","","","","","","","","","","","AT-051/43422431","","C1=CC=C2C(=C1)C=CC2=CC3=CC=C(C=C3)N=C(N)N","BOGIJBDMOQJRFY-SDNWHVSQSA-N","6474733",NA,"PDBC37419","112849","Present"
-"Indeno[1,2-c]isochromene-5,11-dione","","","","","","","","","","","","","","","","","","","","UPC5E8CVE7","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)OC2=O","HVRWJPNEHHBGGY-UHFFFAOYSA-N","265728",NA,"PDBC37420","102064","Present"
-"Indeno[2,1-a]fluorene-11,12-dione hydrazone","","","","","","","","","","","","","","","","","","","","Indeno[2,1-a]fluorene-11,12-dione hydrazone","","C1=CC=C2C(=C1)C3=C(C2=NN)C4=C(C=C3)C5=CC=CC=C5C4=NN","YQFDUUHKVDVAGQ-BLVCXSLXSA-N","9570029",NA,"PDBC37421","634735","Present"
-"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(2-chlorophenyl)-","","","","","","","","","","","","","","","","","","","","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(2-chlorophenyl)-","","C1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=CC=C5Cl","DFVHLAYCCFORGR-UHFFFAOYSA-N","369420",NA,"PDBC37422","641190","Present"
-"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(2-chlorophenyl)-2-methyl-","","","","","","","","","","","","","","","","","","","","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(2-chlorophenyl)-2-methyl-","","CC1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=CC=C5Cl","GJCMXDRHNNBPEY-UHFFFAOYSA-N","369421",NA,"PDBC37423","641191","Present"
-"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-bromophenyl)-2-methyl-","","","","","","","","","","","","","","","","","","","","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-bromophenyl)-2-methyl-","","CC1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=C(C=C5)Br","SBLIENYMLFEZBF-UHFFFAOYSA-N","369423",NA,"PDBC37424","641193","Present"
-"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-chlorophenyl)-2-methyl-","","","","","","","","","","","","","","","","","","","","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-chlorophenyl)-2-methyl-","","CC1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=C(C=C5)Cl","VLCLINDDXGXGCB-UHFFFAOYSA-N","369422",NA,"PDBC37425","641192","Present"
-"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-fluorophenyl)-2-methyl-","","","","","","","","","","","","","","","","","","","","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-fluorophenyl)-2-methyl-","","CC1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=C(C=C5)F","JJOUVADKRBEFAF-UHFFFAOYSA-N","369415",NA,"PDBC37426","641185","Present"
-"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-phenyl-","","","","","","","","","","","","","","","","","","","","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-phenyl-","","C1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=CC=C5","BATNBRDJEYAKBB-UHFFFAOYSA-N","369413",NA,"PDBC37427","641183","Present"
-"Indicine","","","","","","","","","","","","","","","","","","","","Indicine","","CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O","SFVVQRJOGUKCEG-XTWPYSKKSA-N","73614",NA,"PDBC37428","136052","Present"
-"Indicine-N-oxide","","","","","","","","","","","","","","","","","","","","Indicine-N-Oxide","","CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])O","DNAWGBOKUFFVMB-PZIGJSDBSA-N","280564",NA,"PDBC37429","132319","Present"
-"Indimitecan hydrochloride","","","","","","","","","","","","","","","","","","","","LMP776","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=CN=C6)OC.Cl","VZCPAXRDLDYWBE-UHFFFAOYSA-N","45027820",NA,"PDBC37430","725776","Present"
-"Indirubin deriv. 8a","","","","","","","","","","","","","","","","","","","","6-Bromoindirubin-3'-Acetoxime","","CC(=O)ON=C1C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC(=C4)Br)O","HUDSYNWJCPDHLL-CJLVFECKSA-N","135398521",NA,"PDBC37431","764238","Present"
-"Indirubin derivative, 33","","","","","","","","","","","","","","","","","","","","Indirubin derivative, 33","","C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)S(=O)(=O)NCCO)O","MYDHBJOCPAYEFO-UHFFFAOYSA-N","403171",NA,"PDBC37432","717824","Present"
-"Indirubin derivative, 8","","","","","","","","","","","","","","","","","","","","Indirubin derivative, 8","","CN(C)S(=O)(=O)C1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O","FFOHNHCDXGKZPF-UHFFFAOYSA-N","403170",NA,"PDBC37433","717823","Present"
-"Indirubin-3'-monoxime","","","","","","","","","","","","","","","","","","","","indirubin-3'-oxime","","C1=CC=C2C(=C1)C(=C(N2)O)C3=C(C4=CC=CC=C4N3)N=O","FQCPPVRJPILDIK-UHFFFAOYSA-N","3707",NA,"PDBC37434","717829","Present"
-"Indirubin-5-sulphonate","","","","","","","","","","","","","","","","","","","","1v0o","","C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)S(=O)(=O)O)O","BYYOTMYLPPUWCF-UHFFFAOYSA-N","3708",NA,"PDBC37435","717821","Present"
-"Indium(3+);pentane-2,4-dione","","","","","","","","","","","","","","","","","","","","Tris(2,4-pentanedionato)indium(III)","","CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[In+3]","CMGVNFXMZKDHDG-UHFFFAOYSA-N","365234",NA,"PDBC37436","632583","Present"
-"Indolcarbonsaureester","","","","","","","","","","","","","","","","","","","","Indolcarbonsaureester","","CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C","XNGBUJSADZRFNZ-UHFFFAOYSA-N","12402873",NA,"PDBC37437","740470","Present"
-"Indole, 2-methyl-3-[(2-methyl-3H-indol-3-ylidene)methyl]-","","","","","","","","","","","","","","","","","","","","Indole, 2-methyl-3-[(2-methyl-3H-indol-3-ylidene)methyl]-","","CC1=C(C2=CC=CC=C2N1)C=C3C(=NC4=CC=CC=C43)C","QZEAODHCQJHGHR-BOPFTXTBSA-N","5351195",NA,"PDBC37438","76747","Present"
-"Indole, dihydrochloride","","","","","","","","","","","","","","","","","","","","Indole, 3-[1-(2-morpholinoethyl)-3-pyrrolidinyl]-, dihyd...","","C1CN(CC1C2=CNC3=CC=CC=C32)CCN4CCOCC4.Cl","SMPBDYHMXPYZHY-UHFFFAOYSA-N","54605524",NA,"PDBC37439","43513","Present"
-"Indole-1-carbonyl indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Indole-1-carbonyl indole-1-carboxylate","","C1=CC=C2C(=C1)C=CN2C(=O)OC(=O)N3C=CC4=CC=CC=C43","GQOYHZXBKVIADF-UHFFFAOYSA-N","359470",NA,"PDBC37440","620335","Present"
-"Indole-2, 3-[(o-chlorophenyl)hydrazone]","","","","","","","","","","","","","","","","","","","","Indole-2,3-dione, 3-[(o-chlorophenyl)hydrazone]","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=C3Cl","DCKVLFOMXZJZNU-UHFFFAOYSA-N","272589",NA,"PDBC37441","117192","Present"
-"Indole-2, 3-[(pentafluorophenyl)hydrazone]","","","","","","","","","","","","","","","","","","","","indole-2,3-dione, 3-[(pentafluorophenyl)hydrazone]","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C(=C(C(=C3F)F)F)F)F","CVPMFEJGUOBQAT-UHFFFAOYSA-N","272247",NA,"PDBC37442","116535","Present"
-"Indole-3-carbinol","","","","","","","","","","","","","","","","","","","","i0496","","C1=CC=C2C(=C1)C(=CN2)CO","IVYPNXXAYMYVSP-UHFFFAOYSA-N","3712",NA,"PDBC37443","525801","Present"
-"Indole-maleimide-trotylimidazole","","","","","","","","","","","","","","","","","","","","3-(1H-Indol-3-yl)-4-(1-tritylimidazol-4-yl)pyrrole-2,5-dione","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C5=C(C(=O)NC5=O)C6=CNC7=CC=CC=C76","XWPVAXHJHSRBSU-UHFFFAOYSA-N","398492",NA,"PDBC37444","708403","Present"
-"Indole[e]-4,5-epoxy-3-methoxymorphin-14-ol","","","","","","","","","","","","","","","","","","","","HPRLAWOHFRYBFS-UHFFFAOYSA-N","","CN1CCC23C4C5=C(CC2(C1CC6=C3C(=C(C=C6)OC)O4)O)C7=CC=CC=C7N5","HPRLAWOHFRYBFS-UHFFFAOYSA-N","398244",NA,"PDBC37445","707843","Present"
-"Indolizino[2,3-b]quinoxaline","","","","","","","","","","","","","","","","","","","","indolizino[2,3-b]quinoxaline","","C1=CC=C2C(=C1)N=C3C=C4C=CC=CN4C3=N2","YNRRTISNKYYOPB-UHFFFAOYSA-N","24204693",NA,"PDBC37446","732497","Present"
-"Indolizino[2,3-b]quinoxaline-12-carbonitrile","","","","","","","","","","","","","","","","","","","","Indolizino[2,3-b]quinoxaline-12-carbonitrile","","C1=CC=C2C(=C1)N=C3C(=C4C=CC=CN4C3=N2)C#N","JKTDGGGCBWROBV-UHFFFAOYSA-N","375025",NA,"PDBC37447","653851","Present"
-"Indolo(2,1-b)quinazoline-12-carboxylic acid, 6,12-dihydro-12-hydroxy-6-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 6,12-dihydro-12-hydroxy-6-oxoindolo[2,1-b]quinazo...","","COC(=O)C1(C2=CC=CC=C2N=C3N1C4=CC=CC=C4C3=O)O","KBIGHBLKYNEVDZ-UHFFFAOYSA-N","384867",NA,"PDBC37448","675463","Present"
-"Indolo[4, ergoline deriv.","","","","","","","","","","","","","","","","","","","","1-propylagroclavine tartrate","","CCCN1C=C2CC3C(C=C(CN3C)C)C4=C2C1=CC=C4.C(C(C(=O)O)O)(C(=O)O)O","QYFRKSXWBYEURI-UHFFFAOYSA-N","433504",NA,"PDBC37449","332292","Present"
-"Indophenol blue","","","","","","","","","","","","","","","","","","","","indophenol blue","","CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23","VRZJGENLTNRAIG-UHFFFAOYSA-N","67235",NA,"PDBC37450","132125","Present"
-"Indophenol,6-dibromo-, monosodium salt","","","","","","","","","","","","","","","","","","","","Indophenol, 2,6-dibromo-, monosodium salt","","C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Br)O)Br.[Na+]","FJYSJARYQAYJGE-UHFFFAOYSA-N","21276631",NA,"PDBC37451","11216","Present"
-"Indotecan","","","","","","","","","","","","","","","","","","","","LMP-400","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCOCC6)OC","FMFIFGLHVOZDEL-UHFFFAOYSA-N","11533060",NA,"PDBC37452","724998","Present"
-"Indoximod","","","","","","","","","","","","","","","","","","","","D-1MT","","CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N","ZADWXFSZEAPBJS-SNVBAGLBSA-N","405012",NA,"PDBC37453","721782","Present"
-"Indoxole","","","","","","","","","","","","","","","","","","","","indoxol","","COC1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC","SRETXDDCKMOQNE-UHFFFAOYSA-N","21129",NA,"PDBC37454","82959","Present"
-"Infigratinib","","","","","","","","","","","","","","","","","","","","NVP-BGJ398","","CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl","QADPYRIHXKWUSV-UHFFFAOYSA-N","53235510",NA,"PDBC37455","764487","Present"
-"Inhibits Na+/K+ ATPase","","","","","","","","","","","","","","","","","","","","NSC756737","","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O","WDJUZGPOPHTGOT-KSVSUYAUSA-N","5702041",NA,"PDBC37456","756737","Present"
-"Iniparib","","","","","","","","","","","","","","","","","","","","Iniparib","","C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I","MDOJTZQKHMAPBK-UHFFFAOYSA-N","9796068",NA,"PDBC37457","752493","Present"
-"Inokosterone","","","","","","","","","","","","","","","","","","","","Inokosterone","","CC(CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)CO","JQNVCUBPURTQPQ-UHFFFAOYSA-N","119238",NA,"PDBC37458","342715","Present"
-"Inolene","","","","","","","","","","","","","","","","","","","","Inolene","","CC1CCC=C(C2CCC(O2)(C3CC4C(C1O3)OC(=O)C4=C)C)C","HRHWPMPIBMXXDZ-ASTUYBFISA-N","5468862",NA,"PDBC37459","678000","Present"
-"Inolide A","","","","","","","","","","","","","","","","","","","","NSC678001","","CC1CCCC(C2C3C(CC(O2)C4(CCC1O4)C)C(=C)C(=O)O3)C","OYEGDHIUZXVCHT-NRILQMFOSA-N","6712370",NA,"PDBC37460","678001","Present"
-"Inolitazone","","","","","","","","","","","","","","","","","","","","Inolitazone hydrochloride","","CC1=CC(=CC(=C1N)C)OC2=CC3=C(C=C2)N=C(N3C)COC4=CC=C(C=C4)CC5C(=O)NC(=O)S5","JCYNMRJCUYVDBC-UHFFFAOYSA-N","9832447",NA,"PDBC37461","764579","Present"
-"Inosine dialdehyde","","","","","","","","","","","","","","","","","","","","Inosine dialdehyde","","C1=NC2=C(C(=O)N1)N=CN2C(C=O)OC(CO)C=O","RGWOFTGZWJGPHG-NKWVEPMBSA-N","135400916",NA,"PDBC37462","118994","Present"
-"Inosine, 2',3',5'-tripentanoate","","","","","","","","","","","","","","","","","","","","Inosine, 6-thio-, 2',3',5'-tripentanoate","","CCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCCC)OC(=O)CCCC","QTANWLKOHYGFPW-UHFFFAOYSA-N","4208664",NA,"PDBC37463","77495","Present"
-"Inosine, 2',3',5'-tris(4-methoxybenzoate)","","","","","","","","","","","","","","","","","","","","Inosine, 6-thio-, 2',3',5'-tris(4-methoxybenzoate)","","COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C5=CC=C(C=C5)OC)OC(=O)C6=CC=C(C=C6)OC","KIAHXIQVYYIAET-UHFFFAOYSA-N","4351018",NA,"PDBC37464","76519","Present"
-"Inositol","","","","","","","","","","","","","","","","","","","","Inosite","","C1(C(C(C(C(C1O)O)O)O)O)O","CDAISMWEOUEBRE-UHFFFAOYSA-N","892",NA,"PDBC37465","8101","Present"
-"Inostamycin","","","","","","","","","","","","","","","","","","","","Inostamycin","","CCCC(C1(CC(C(O1)(C2(CC(C(O2)C(CC)C(=O)C(C)C(C(C)C3C(C(C(C(O3)(C(CC)C(=O)O)O)C)O)CC)O)C)C)O)C)CC)O","NZJHONRWXITMMC-RBLAFODUSA-N","368135",NA,"PDBC37466","638478","Present"
-"Intal","","","","","","","","","","","","","","","","","","","","Cromolyn sodium","","C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O.[Na+]","FOXZSJZEADRHAD-UHFFFAOYSA-N","10184937",NA,"PDBC37467","109500","Present"
-"Iodinin","","","","","","","","","","","","","","","","","","","","Iodinin","","C1=CC2=C(C(=C1)O)[N+](=C3C=CC=C(C3=[N+]2[O-])O)[O-]","NBMOVCYIGUDQJE-UHFFFAOYSA-N","135441735",NA,"PDBC37468","402910","Present"
-"Iodomethane;10-methoxy-7-methyl-2,3,4,5,6,7a,8,12b-octahydro-1H-phenanthro[9,8a-b]pyrrole","","","","","","","","","","","","","","","","","","","","Iodomethane;10-methoxy-7-methyl-2,3,4,5,6,7a,8,12b-octahydro-1H-phenanthro[9,8a-b]pyrrole","","CN1CCC23C1CC4=C(C2CCCC3)C=CC(=C4)OC.CI","PRBPXKVQHMZPLI-UHFFFAOYSA-N","356136",NA,"PDBC37469","611227","Present"
-"Iodonium, (p-nitrophenyl)phenyl-nitrate","","","","","","","","","","","","","","","","","","","","Iodonium, (p-nitrophenyl)phenyl- nitrate","","C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-].[N+](=O)(O)O","AMMHDOULLGICEL-UHFFFAOYSA-N","6332375",NA,"PDBC37470","90600","Present"
-"Iodonium, bis(p-methoxyphenyl)-nitrate","","","","","","","","","","","","","","","","","","","","Iodonium, bis(p-methoxyphenyl)- nitrate","","COC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)OC.[N+](=O)(O)O","NQPZBPCHJHTOAH-UHFFFAOYSA-N","6332373",NA,"PDBC37471","90598","Present"
-"Iodonium, dimesityl-chloride","","","","","","","","","","","","","","","","","","","","iodonium, dimesityl- chloride","","CC1=CC(=C(C(=C1)C)[I+]C2=C(C=C(C=C2C)C)C)C.Cl","WAKCRSHUCNABAR-UHFFFAOYSA-N","54609598",NA,"PDBC37472","82109","Present"
-"Iodoquinol","","","","","","","","","","","","","","","","","","","","dyodin","","C1=CC2=C(C(=C(C=C2I)I)O)N=C1","UXZFQZANDVDGMM-UHFFFAOYSA-N","3728",NA,"PDBC37473","8704","Present"
-"Iodosilver;trimethylphosphane","","","","","","","","","","","","","","","","","","","","Iodosilver;trimethylphosphane","","CP(C)C.[Ag]I","UEZMPJVLYIQMMG-UHFFFAOYSA-M","357596",NA,"PDBC37474","617069","Present"
-"Iopydone","","","","","","","","","","","","","","","","","","","","iopydon","","C1=C(C(=O)C(=CN1)I)I","FRPFEVLOFNAKBS-UHFFFAOYSA-N","21752",NA,"PDBC37475","135284","Present"
-"Iqdma","","","","","","","","","","","","","","","","","","","","IQDMA","","CN(C)CCNC1=NC2=CC=CC=C2C3=C1C4=CC=CC=C4N3","UROLFQZUYMCOHV-UHFFFAOYSA-N","24204050",NA,"PDBC37476","730507","Present"
-"Ircinianin","","","","","","","","","","","","","","","","","","","","Ircinianin","","CC1CCC2C1C3(C(C=C2C)C=C(C)CCCC4=COC=C4)C(=C(C(=O)O3)C)O","ONJNDTZVKWTRJZ-YPIMFPMWSA-N","54679365",NA,"PDBC37477","625520","Present"
-"Irgd peptide","","","","","","","","","","","","","","","","","","","","Peptide [CRGDKGPDC - cys & cys bridge","","C1CC2C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N2C1)CCCCN)CC(=O)O)CCCN=C(N)N)N)C(=O)O)CC(=O)O","YHTTWXCDIRTOQX-UHFFFAOYSA-N","155816272",NA,"PDBC37478","754347","Present"
-"Iridogermanal","","","","","","","","","","","","","","","","","","","","Iridogermanal","","CC(=CC(CC(=CCCC(=CCCC1(C(C(=C(C)C=O)CCC1(C)O)CCCO)C)C)C)O)C","CMKAMRUVQONAPO-FALQBROGSA-N","5458843",NA,"PDBC37479","360038","Present"
-"Iridotrialglucoside","","","","","","","","","","","","","","","","","","","","Iridotrialglucoside","","CC1CCC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)C)O)O)O)O","QEPMZEDPTMKURV-FFUQGIIUSA-N","341847",NA,"PDBC37480","375868","Present"
-"Irisoquin","","","","","","","","","","","","","","","","","","","","irisoquin","","CCCCCCCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O","VOJSRSKBOJBZEK-UHFFFAOYSA-N","127797",NA,"PDBC37481","608336","Present"
-"Irisquinone","","","","","","","","","","","","","","","","","","","","IRISQUINONE","","CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC","YYCCUFKHCNSRIA-HJWRWDBZSA-N","5318483",NA,"PDBC37482","614642","Present"
-"Irofulven","","","","","","","","","","","","","","","","","","","","Irofulven","","CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CO","NICJCIQSJJKZAH-AWEZNQCLSA-N","148189",NA,"PDBC37483","683863","Present"
-"Iron (1+), chloro[[2-hydroxybenzoic acid(2,6- pyridinedi...","","","","","","","","","","","","","","","","","","","","Iron (1+), chloro[[2-hydroxybenzoic acid(2,6- pyridinedi...","","","","",NA,"PDBC37484","617567","Present"
-"Iron(1+); N-[(E)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide","","","","","","","","","","","","","","","","","","","","Iron(1+); N-[(E)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide","","","","",NA,"PDBC37485","633272","Present"
-"Iron, carbonyl(.eta.(5)-2,4-cyclopentadien-1-yl)(dimethy...","","","","","","","","","","","","","","","","","","","","Iron, carbonyl(.eta.(5)-2,4-cyclopentadien-1-yl)(dimethy...","","","","",NA,"PDBC37486","175493","Present"
-"Iron, carbonyl(.eta.5-2,4-cyclopentadien-1-yl)(di-4-morp...","","","","","","","","","","","","","","","","","","","","Iron, carbonyl(.eta.5-2,4-cyclopentadien-1-yl)(di-4-morp...","","","","",NA,"PDBC37487","175490","Present"
-"Iron, dichloro[hexahydro-1H-azepine-1-carbothioic acid [...","","","","","","","","","","","","","","","","","","","","Iron, dichloro[hexahydro-1H-azepine-1-carbothioic acid [...","","","","",NA,"PDBC37488","338304","Present"
-"Iron, tricarbonyl[(2,3,4,5-.eta.)-ethyl 1H-azepine-1-car...","","","","","","","","","","","","","","","","","","","","Iron, tricarbonyl[(2,3,4,5-.eta.)-ethyl 1H-azepine-1-car...","","","","",NA,"PDBC37489","174589","Present"
-"Iron, trichloro[phenyl-2-pyridinylmethanone(2-pyridinyl-...","","","","","","","","","","","","","","","","","","","","Iron, trichloro[phenyl-2-pyridinylmethanone(2-pyridinyl-...","","","","",NA,"PDBC37490","625539","Present"
-"Iron;(NE,3Z)-N-(1-pyridazin-3-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","","","","","","","","","","","","","","","","","Iron;(NE,3Z)-N-(1-pyridazin-3-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","",NA,"PDBC37491","633268","Present"
-"Iron;(NE,3Z)-N-(1-pyrimidin-4-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","","","","","","","","","","","","","","","","","Iron;(NE,3Z)-N-(1-pyrimidin-4-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","",NA,"PDBC37492","633274","Present"
-"Iron;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","","","","","","","","","","","","","","","","","Iron;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate","","","","",NA,"PDBC37493","633270","Present"
-"Islandicin","","","","","","","","","","","","","","","","","","","","islandin","","CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O","FHFHNVHRVKQQHN-UHFFFAOYSA-N","10151",NA,"PDBC37494","264955","Present"
-"IsoPM-TitanosalanF","","","","","","","","","","","","","","","","","","","","IsoPM-TitanosalanF","","CC(C)[O-].CC(C)[O-].CN(CCN(C)CC1=C(C(=CC(=C1)F)F)[O-])CC2=C(C(=CC(=C2)F)F)[O-].[Ti+4]","CQLNQVGUXKNPCO-UHFFFAOYSA-L","60147812",NA,"PDBC37495","752462","Present"
-"Isoacteoside","","","","","","","","","","","","","","","","","","","","iso-acteoside","","CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O","FNMHEHXNBNCPCI-QEOJJFGVSA-N","6476333",NA,"PDBC37496","729649","Present"
-"Isoaminoperezone","","","","","","","","","","","","","","","","","","","","NSC697124","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)N)O","GJIMSEJMFUROEH-SECBINFHSA-N","394007",NA,"PDBC37497","697124","Present"
-"Isoannonacin","","","","","","","","","","","","","","","","","","","","Isoannonacin","","CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O","DGQPZGGOYKKJLX-UHFFFAOYSA-N","128014",NA,"PDBC37498","618571","Present"
-"Isoarq","","","","","","","","","","","","","","","","","","","","isoARQ","","CC(=CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C)O)C","TUPLQPTWXCZPJD-UHFFFAOYSA-N","385442",NA,"PDBC37499","676677","Present"
-"Isobaccharin","","","","","","","","","","","","","","","","","","","","isobaccharin","","CC(C1C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O","DGBITFNXKQHKLI-CYLYTYKUSA-N","5358646",NA,"PDBC37500","269760","Present"
-"Isobromodeoxytopsentin","","","","","","","","","","","","","","","","","","","","Isobromodeoxytopsentin","","C1=CC=C2C(=C1)C(=CN2)C3=CN=C(N3)C(=O)C4=CNC5=C4C=CC(=C5)Br","BEDNSRVQPOJNPU-UHFFFAOYSA-N","400453",NA,"PDBC37501","712185","Present"
-"Isobrucein B","","","","","","","","","","","","","","","","","","","","Isobrucein B","","CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O","WAYNIXHIORQRDI-VMWQHYTCSA-N","54607155",NA,"PDBC37502","238181","Present"
-"Isobutyl 1-amino-2,2,2-trifluoro-1-(trifluoromethyl)ethyl(methyl)phosphinate","","","","","","","","","","","","","","","","","","","","Isobutyl 1-amino-2,2,2-trifluoro-1-(trifluoromethyl)ethyl(methyl)phosphinate","","CC(C)COP(=O)(C)C(C(F)(F)F)(C(F)(F)F)N","PKOWTGUANISXIT-UHFFFAOYSA-N","382500",NA,"PDBC37503","670106","Present"
-"Isobutyl 3-(3,3-dimethyltriazeno)-p-toluate","","","","","","","","","","","","","","","","","","","","LS-154276","","CC1=C(C=C(C=C1)C(=O)OCC(C)C)N=NN(C)C","ZTXLGUQTRAMUDP-UHFFFAOYSA-N","374077",NA,"PDBC37504","651337","Present"
-"Isobutyl 4-((4-(((4-(isobutoxycarbonyl)phenyl)imino)methyl)benzylidene)amino)benzoate","","","","","","","","","","","","","","","","","","","","Isobutyl 4-((4-(((4-(isobutoxycarbonyl)phenyl)imino)methyl)benzylidene)amino)benzoate","","CC(C)COC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)OCC(C)C","FZFMLVRMAJJQOL-UHFFFAOYSA-N","367990",NA,"PDBC37505","638210","Present"
-"Isobutyl 6-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Isobutyl 6-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate","","CC(C)COC(=O)N1C2C(C3CC(=O)C2O3)N=N1","RIYZMZQPYVRIHO-UHFFFAOYSA-N","368690",NA,"PDBC37506","639822","Present"
-"Isobutylcarbamic acid","","","","","","","","","","","","","","","","","","","","DA-03466","","CC(C)CNC(=O)O","PFDJIMKTGBPMEC-UHFFFAOYSA-N","275698",NA,"PDBC37507","122674","Present"
-"Isobutyltriphenylphosphonium iodide","","","","","","","","","","","","","","","","","","","","NSC122263","","CC(C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]","OVPOVBJOOFKCFI-UHFFFAOYSA-M","18386505",NA,"PDBC37508","122263","Present"
-"Isobutyramide","","","","","","","","","","","","","","","","","","","","Isobutylamide","","CC(C)C(=O)N","WFKAJVHLWXSISD-UHFFFAOYSA-N","68424",NA,"PDBC37509","8423","Present"
-"Isodaphlongamine H","","","","","","","","","","","","","","","","","","","","6-epi-deoxycalyciphylline B","","CC1CN2C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C","NGQSEZXJVMCXSC-PEUWLILFSA-N","132518824",NA,"PDBC37510","787224","Present"
-"Isodihydroclutiolide","","","","","","","","","","","","","","","","","","","","Isodihydroclutiolide","","CC1(CCCC2(C1COC2=O)C)C3CC(OC(=O)C3=C)C4=COC=C4","XDJOYTCNWGGBMI-DIQGILDXSA-N","370656",NA,"PDBC37511","644019","Present"
-"Isodiospyrin","","","","","","","","","","","","","","","","","","","","Isodiospyrin","","CC1=CC2=C(C(=O)C=CC2=O)C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O","OEEOHKZVBKYMBA-UHFFFAOYSA-N","99298",NA,"PDBC37512","208731","Present"
-"Isoepoxydon","","","","","","","","","","","","","","","","","","","","Epiepoxydon","","C1=C(C(=O)C2C(C1O)O2)CO","VTLJDPHPVHSVGR-JHYUDYDFSA-N","331736",NA,"PDBC37513","326233","Present"
-"Isoguanosine","","","","","","","","","","","","","","","","","","","","Crotonosid","","C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)CO)O)O)N","MIKUYHXYGGJMLM-UHFFFAOYSA-N","223996",NA,"PDBC37514","12161","Present"
-"Isoharringtonine","","","","","","","","","","","","","","","","","","","","isoharringtonine","","CC(C)CCC(C(C(=O)OC)O)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O","CAOHZEUEVKYHPF-XWHOPEMDSA-N","73492",NA,"PDBC37515","141634","Present"
-"Isohomohalichondrin B","","","","","","","","","","","","","","","","","","","","Isohomohalichondrin B","","CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC(C(O4)CC(=O)CCO)O)C)C)OC9CC(C1=C)O2)C","WVWWZNXKZNACRW-XAWBFGRASA-N","6711990",NA,"PDBC37516","650467","Present"
-"Isoindigotin","","","","","","","","","","","","","","","","","","","","Isoindigotin","","C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O","VBMISAYWIMDRCV-UHFFFAOYSA-N","164610",NA,"PDBC37517","717810","Present"
-"Isoindolo[1,2-c][1,2,4]benzotriazine-11-carbonitrile","","","","","","","","","","","","","","","","","","","","Isoindolo[2,1-c]benzo[1,2,4]triazine","","C1=CC=C2C(=C1)N=NC3=C4C=CC=CC4=C(N23)C#N","UVKBHPFWXOQGKD-UHFFFAOYSA-N","16066790",NA,"PDBC37518","729491","Present"
-"Isoindolo[2,1-a]quinoxaline-6(5H)-one","","","","","","","","","","","","","","","","","","","","isoindolo[1,2-a]quinoxalin-4(5H)-one","","C1=CC=C2C(=C1)NC(=O)C3=C4C=CC=CC4=CN23","SCMIDKNBCPXKLK-UHFFFAOYSA-N","24205090",NA,"PDBC37519","734235","Present"
-"Isoindolo[2,1-b]isoquinoline-5,7-dione","","","","","","","","","","","","","","","","","","","","J3.588.897G","","C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C(=O)N3C2=O","MTNJPOTYDQNBCL-UHFFFAOYSA-N","353868",NA,"PDBC37520","603331","Present"
-"Isokanugin","","","","","","","","","","","","","","","","","","","","Isokanugin","","COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC","GDROEPRRAVOAOE-UHFFFAOYSA-N","386324",NA,"PDBC37521","678100","Present"
-"Isolaurenisol","","","","","","","","","","","","","","","","","","","","Isolaurenisol///Isolaurenisol acetate","","CC1CCC(C1=CBr)(C)C2=C(C=C(C=C2)C)O","UBWCUFQVQWSAIZ-QQOCCKOMSA-N","10063078",NA,"PDBC37522","720796///720797","Present"
-"Isolintenone","","","","","","","","","","","","","","","","","","","","Isolintenone","","CC1CC(=O)C2C(C3(C2(C1(CC3)C)C)C)CCC(=CCCC4=CC(=O)OC4)C","SDTZLYYMKYPKGF-VGBCXAHSSA-N","5467983",NA,"PDBC37523","661427","Present"
-"Isomahanine","","","","","","","","","","","","","","","","","","","","Isomahanine","","CC1=CC2=C(C=C1O)NC3=C2C=CC4=C3C=CC(O4)(C)CCC=C(C)C","WWXYBSVWYPHUPZ-UHFFFAOYSA-N","375148",NA,"PDBC37524","654282","Present"
-"Isomer of aurantionone","","","","","","","","","","","","","","","","","","","","NSC656899///Isomer of aurantionone","","CC1=CC(=C2C3=C1C(=O)C(C(=O)C3=C(C(=C2O)OC)O)(C(C)(C)C(=O)C)O)O","GYDRFDXVHHUERI-UHFFFAOYSA-N","376220",NA,"PDBC37525","656899///656900","Present"
-"Isomurrayafoline B","","","","","","","","","","","","","","","","","","","","Isomurrayafoline B","","CC1=CC2=C(C=C1O)NC3=C2C=CC(=C3CC=C(C)C)OC","XFLPKTCBCLWABD-UHFFFAOYSA-N","375146",NA,"PDBC37526","654280","Present"
-"Isonicotinic acid (6-chloro-4-oxo-4H-chromen-3-ylmethylene)-hydrazide","","","","","","","","","","","","","","","","","","","","isonicotinic acid (6-chloro-4-oxo-4H-chromen-3-ylmethyle...","","C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=NNC(=O)C3=CC=NC=C3","XMDBONHIROJGRV-UFWORHAWSA-N","9579174",NA,"PDBC37527","732253","Present"
-"Isonicotinic acid (S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl ester","","","","","","","","","","","","","","","","","","","","[(7S)-1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] pyridine-4-carboxylate","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)OC(=O)C4=CC=NC=C4)OC)OC","CWATZKGHUVXYMO-FQEVSTJZSA-N","391585",NA,"PDBC37528","691040","Present"
-"Isonicotinic acid N'-[4-(4-methoxy-phenylamino)-6-(N'-phenylacetyl-hydrazino)-[1,3,5]triazin-2-yl]-hydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-(4-Methoxyanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","BPBHCXBJDQKTGG-UHFFFAOYSA-N","378412",NA,"PDBC37529","660830","Present"
-"Isonicotinic acid N'-[4-(N'-phenylacetyl-hydrazino)-6-o-tolylamino-[1,3,5]triazin-2-yl]-hydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-(2-Methylanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","CC1=CC=CC=C1NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","FSIMDEDXNLOXOE-UHFFFAOYSA-N","378405",NA,"PDBC37530","660823","Present"
-"Isonicotinic acid, (4,5-bis(2-chlorophenyl)-2-furfurylidene)hydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[4,5-Bis(2-chlorophenyl)-2-furyl]methyleneamino]pyridine-4-carboxamide","","C1=CC=C(C(=C1)C2=C(OC(=C2)C=NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl)Cl","XDKREKTVUNWKHY-MZJWZYIUSA-N","9555893",NA,"PDBC37531","647263","Present"
-"Isonicotinic acid, [2-[(6-methoxybenzothiazol-2-yl)amino]1,2-dioxoethyl]hydrazide","","","","","","","","","","","","","","","","","","","","N-(6-Methoxy-1,3-benzothiazol-2-yl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazino]acetamide","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)NNC(=O)C3=CC=NC=C3","PWVHVLOLNSFNOD-UHFFFAOYSA-N","370989",NA,"PDBC37532","644795","Present"
-"Isopaque","","","","","","","","","","","","","","","","","","","","Metrizoate Sodium","","CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I.[Na+]","UKIYDXCFKFLIMU-UHFFFAOYSA-N","23618707",NA,"PDBC37533","107431","Present"
-"Isopentyl 2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Isopentyl 2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate","","CC(C)CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)F","OPMUGVBFTYMZFU-UHFFFAOYSA-N","383585",NA,"PDBC37534","672003","Present"
-"Isoperezone","","","","","","","","","","","","","","","","","","","","NSC697134","","CC1=C(C(=O)C(=CC1=O)C(C)CCC=C(C)C)O","HNRKPBAGNHFUNQ-SNVBAGLBSA-N","178981",NA,"PDBC37535","697134","Present"
-"Isopilosine","","","","","","","","","","","","","","","","","","","","Isopilosine","","CN1C=NC=C1CC2COC(=O)C2C(C3=CC=CC=C3)O","DZOVBAVEJYPSLL-UHFFFAOYSA-N","114553",NA,"PDBC37536","117179","Present"
-"Isopimpinellin","","","","","","","","","","","","","","","","","","","","Isopimpinellin","","COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC","DFMAXQKDIGCMTL-UHFFFAOYSA-N","68079",NA,"PDBC37537","401288","Present"
-"Isopinnatal","","","","","","","","","","","","","","","","","","","","Isopinnatal","","CC12CCC3C1C=C4C(=O)C5=C(C=CC(=C5)O)C(=O)C4(C3(C)C=O)O2","NMLFNFAGOHGLMD-GVFSZWDCSA-N","390665",NA,"PDBC37538","688277","Present"
-"Isoplumbagin","","","","","","","","","","","","","","","","","","","","Naphthsaritone","","CC1=CC(=O)C2=C(C1=O)C(=CC=C2)O","ZMOIGGHUSNHCAB-UHFFFAOYSA-N","375105",NA,"PDBC37539","654206","Present"
-"Isopropyl 1-(4-(((2,6-dimethyl-4-pyrimidinyl)amino)sulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Propan-2-yl N-[2-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]anilino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate","","CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OC(C)C","BRGURBGUGHYAFY-UHFFFAOYSA-N","383581",NA,"PDBC37540","671999","Present"
-"Isopropyl 1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Isopropyl 1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate","","CC(C)OC(=O)C1CC2=C(C(N1)C3=CC=CC=C3)NC4=CC=CC=C24","DLPQACDNNKNHOH-UHFFFAOYSA-N","364139",NA,"PDBC37541","629811","Present"
-"Isopropyl 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)phosphinate","","","","","","","","","","","","","","","","","","","","17-[Isopropoxy(phenyl)phosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene","","CC(C)OP(=O)(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCOCCOCCOCCO3","XSUOGPUUCNXHAI-UHFFFAOYSA-N","376522",NA,"PDBC37542","657481","Present"
-"Isopropyl 2,6-bis(hydroxy(oxido)amino)-4-(trifluoromethyl)phenylcarbamate","","","","","","","","","","","","","","","","","","","","Isopropyl 2,6-bis(hydroxy(oxido)amino)-4-(trifluoromethyl)phenylcarbamate","","CC(C)OC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","VEBBUGUTEYFUEO-UHFFFAOYSA-N","360496",NA,"PDBC37543","622630","Present"
-"Isopropyl 2-((hydroxyimino)methyl)nicotinate","","","","","","","","","","","","","","","","","","","","Isopropyl 2-((hydroxyimino)methyl)nicotinate","","CC(C)OC(=O)C1=C(N=CC=C1)C=NO","VOHCJAKLGYYQQM-WUXMJOGZSA-N","135499205",NA,"PDBC37544","644865","Present"
-"Isopropyl 2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Isopropyl 2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethylcarbamate","","CC(C)OC(=O)NCCN1C=C(N=N1)C2=CC=CC=C2","SNQPUBRDMKSAHT-UHFFFAOYSA-N","386623",NA,"PDBC37545","679077","Present"
-"Isopropyl 2-(bis(acetyloxy)methyl)nicotinate","","","","","","","","","","","","","","","","","","","","Isopropyl 2-(bis(acetyloxy)methyl)nicotinate","","CC(C)OC(=O)C1=C(N=CC=C1)C(OC(=O)C)OC(=O)C","WBTGIYQCEFYYNY-UHFFFAOYSA-N","371001",NA,"PDBC37546","644864","Present"
-"Isopropyl 2-chloro-4-((2,5-dihydroxybenzyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-chloro-4-[[(2,5-dihydroxyphenyl)methyl]a...","","CC(C)OC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2)O)O)Cl","KYIFXDFKSZAPFG-UHFFFAOYSA-N","389909",NA,"PDBC37547","686561","Present"
-"Isopropyl 3-(3,3-dimethyltriazeno)-p-toluate","","","","","","","","","","","","","","","","","","","","LS-154278","","CC1=C(C=C(C=C1)C(=O)OC(C)C)N=NN(C)C","NIVIIISQCOCKFV-UHFFFAOYSA-N","374076",NA,"PDBC37548","651336","Present"
-"Isopropyl 4-(2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)ethyl]...","","CC(C)OC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C=CC2=O","STLHEFVFTLZREP-UHFFFAOYSA-N","389014",NA,"PDBC37549","684496","Present"
-"Isopropyl 4-(2-(4-bromo-2,5-dihydroxyphenyl)ethyl)benzoate","","","","","","","","","","","","","","","","","","","","Isopropyl 4-[2-[4-bromo-2,5-dihydroxyphenyl]ethyl]benzoate","","CC(C)OC(=O)C1=CC=C(C=C1)CCC2=CC(=C(C=C2O)Br)O","GFVHZJCQHKYGMC-UHFFFAOYSA-N","389288",NA,"PDBC37550","685106","Present"
-"Isopropyl 4-(2-(4-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate","","","","","","","","","","","","","","","","","","","","Isopropyl 4-[2-[4-bromo-3,6-dioxo-1,4-cyclohexadienyl]et...","","CC(C)OC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C(=CC2=O)Br","ZFNBSVGEBQKXEG-UHFFFAOYSA-N","389289",NA,"PDBC37551","685107","Present"
-"Isopropyl 5-[benzyl(2-methoxybenzoyl)amino]-2-chlorobenzoate","","","","","","","","","","","","","","","","","","","","1-Methylethyl-2-chloro-5-[N-(phenylmethyl)- (2-methoxybe...","","CC(C)OC(=O)C1=C(C=CC(=C1)N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3OC)Cl","ZQKUDMQDTFZXKI-UHFFFAOYSA-N","364531",NA,"PDBC37552","630922","Present"
-"Isopropyl 5-methyl-4-oxo-3-[2-oxo-2-(3-toluidino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate","","","","","","","","","","","","","","","","","","","","isopropyl 5-methyl-3-(3-methylphenylcarbamoylmethyl)-4-o...","","CC1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC(C)C)C","MMDSMXJBULRLMM-UHFFFAOYSA-N","993124",NA,"PDBC37553","730220","Present"
-"Isopropyl [2-[(E)-(3-nitrophenyl)methyleneamino]phenyl]sulfanylmethyl carbonate","","","","","","","","","","","","","","","","","","","","[(2-{[(E)-(3-Nitrophenyl)methylidene]amino}phenyl)sulfanyl]methyl propan-2-yl carbonate","","CC(C)OC(=O)OCSC1=CC=CC=C1N=CC2=CC(=CC=C2)[N+](=O)[O-]","DDFTYKYCPZDQDP-UHFFFAOYSA-N","379457",NA,"PDBC37554","664012","Present"
-"Isopropyl diethylcarbamo(dithioperoxo)thioate","","","","","","","","","","","","","","","","","","","","isopropyl diethylcarbamo(dithioperoxo)thioate","","CCN(CC)C(=S)SSC(C)C","VYORQLUXGQBXDY-UHFFFAOYSA-N","46197112",NA,"PDBC37555","749795","Present"
-"Isopropylfagaronine chloride","","","","","","","","","","","","","","","","","","","","Isopropylfagaronine chloride","","CC(C)OC1=C(C=C2C(=C1)C=CC3=C2[N+](=CC4=CC(=C(C=C34)OC)OC)C)OC.[Cl-]","SHRBLYZHTCQXNU-UHFFFAOYSA-M","371238",NA,"PDBC37556","645296","Present"
-"Isopropylidene .alpha.-thiofuryl malonate","","","","","","","","","","","","","","","","","","","","Isopropylidene .alpha.-thiofuryl malonate","","CC1(OC(=O)C(C(=O)O1)C2=CC=CS2)C","CODWCSDXXQXRGI-UHFFFAOYSA-N","370300",NA,"PDBC37557","643155","Present"
-"Isopropylidene 3,4-dimethoxybenzylidene malonate","","","","","","","","","","","","","","","","","","","","Isopropylidene 3,4-dimethoxybenzylidene malonate","","CC1(OC(=O)C(=CC2=CC(=C(C=C2)OC)OC)C(=O)O1)C","FZHKGXFTVVEHNP-UHFFFAOYSA-N","370314",NA,"PDBC37558","643171","Present"
-"Isopropylidene 3-bromo-4-dimethyl amino benzylidene malo...","","","","","","","","","","","","","","","","","","","","Isopropylidene 3-bromo-4-dimethyl amino benzylidene malo...","","CC1(OC(=O)C(=CC2=CC(=C(C=C2)N(C)C)Br)C(=O)O1)C","QRHOIDNVCKPSFQ-UHFFFAOYSA-N","370306",NA,"PDBC37559","643161","Present"
-"Isopropylidene p-hydroxybenzylidene malonate","","","","","","","","","","","","","","","","","","","","Isopropylidene p-hydroxybenzylidene malonate","","CC1(OC(=O)C(=CC2=CC=C(C=C2)O)C(=O)O1)C","JPPNMIXVIYOENU-UHFFFAOYSA-N","370541",NA,"PDBC37560","643768","Present"
-"Isopropylidene-.beta.-thiofurfurylidene malonate","","","","","","","","","","","","","","","","","","","","Isopropylidene-.beta.-thiofurfurylidene malonate","","CC1(OC(=O)C(C(=O)O1)C2=CSC=C2)C","HAGWJJFKVFSZLP-UHFFFAOYSA-N","370301",NA,"PDBC37561","643156","Present"
-"Isopropylidene-3,4,5-trimethoxybenzylidene malonate","","","","","","","","","","","","","","","","","","","","Isopropylidene-3,4,5-trimethoxybenzylidene malonate","","CC1(OC(=O)C(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)O1)C","QEXAKWRHBFEIIE-UHFFFAOYSA-N","370323",NA,"PDBC37562","643182","Present"
-"Isopropyltriphenylphosphonium bromide","","","","","","","","","","","","","","","","","","","","Isopropyltriphenylphosphonium bromide","","CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","HSOZCYIMJQTYEX-UHFFFAOYSA-M","2795292",NA,"PDBC37563","113130","Present"
-"Isoquino[3,4-b]quinoxalin-5(6H)-one, 6-methyl-","","","","","","","","","","","","","","","","","","","","Isoquino[3,4-b]quinoxalin-5(6H)-one, 6-methyl-","","CN1C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4C1=O","HHLCUEGBMLAHMA-UHFFFAOYSA-N","362865",NA,"PDBC37564","627271","Present"
-"Isoquino[4,3-g]pteridine-5,9,11(6H,8H,10H)-trione, 6,8,10-trimethyl-","","","","","","","","","","","","","","","","","","","","Isoquino[4,3-g]pteridine-5,9,11(6H,8H,10H)-trione, 6,8,10-trimethyl-","","CN1C2=C(C3=CC=CC=C3C1=O)N=C4C(=N2)N(C(=O)N(C4=O)C)C","MUDVQYUOBYNPBR-UHFFFAOYSA-N","362867",NA,"PDBC37565","627273","Present"
-"Isoquinocycline A, Hydrochloride","","","","","","","","","","","","","","","","","","","","Isoquinocycline A, Hydrochloride","","CC1C(C(CC(O1)OC2C3=CC4=C(C(=C3C5CC2(OC56C=C7C=CNC7=N6)C)O)C(=O)C8=C(C4=O)C(=CC=C8)O)O)(C(C)O)O.Cl","PEWVERDOCCTUCM-MTWPOXTLSA-N","54606991",NA,"PDBC37566","194617","Present"
-"Isoquinolin-1-yl(diphenyl)methanol","","","","","","","","","","","","","","","","","","","","Isoquinolin-1-yl(diphenyl)methanol","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC=CC4=CC=CC=C43)O","RWUBNIRCKNOULT-UHFFFAOYSA-N","230505",NA,"PDBC37567","25448","Present"
-"Isoquinolin-1-yl-(4-methoxyphenyl)-phenylmethanol","","","","","","","","","","","","","","","","","","","","Isoquinolin-1-yl(4-methoxyphenyl)phenylmethanol","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC=CC4=CC=CC=C43)O","SJOGTWBIIGPFCI-UHFFFAOYSA-N","230510",NA,"PDBC37568","25454","Present"
-"Isoquinolinium (8CI),2'-decamethylenedi-, dibromide","","","","","","","","","","","","","","","","","","","","isoquinolinium (8ci), 2,2'-decamethylenedi-, dibromide","","C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[Br-]","MCKBJUDGVNKWAP-UHFFFAOYSA-M","24184168",NA,"PDBC37569","33434","Present"
-"Isoquinolinium,4,6-trimethoxyphenyl)ethenyl]-, iodide","","","","","","","","","","","","","","","","","","","","Isoquinolinium, 2-methyl-1-[2-(2,4,6-trimethoxyphenyl)et...","","C[N+]1=C(C2=CC=CC=C2C=C1)C=CC3=C(C=C(C=C3OC)OC)OC.[I-]","LNYHJGVYJMZOJX-RRABGKBLSA-M","20832450",NA,"PDBC37570","236620","Present"
-"Isoquinolinium,7-dimethoxy-2-methyl-1-(phenylmethyl)-, iodide","","","","","","","","","","","","","","","","","","","","Isoquinolinium, 6,7-dimethoxy-2-methyl-1-(phenylmethyl)-...","","C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=CC=C3.[I-]","KGPWKADRUMGVDR-UHFFFAOYSA-M","21144550",NA,"PDBC37571","168209","Present"
-"Isoreserpiline, citrate","","","","","","","","","","","","","","","","","","","","ELLIPTINE///isoreserpiline, citrate","","CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","PEXDQBIIYNZYBT-UHFFFAOYSA-N","234845",NA,"PDBC37572","35541///72715","Present"
-"Isoroscovitine","","","","","","","","","","","","","","","","","","","","isoroscovitine","","CCC(CO)NC1=NC2=C(NN=C2C(=N1)NCC3=CC=CC=C3)C(C)C","AOPRHEOJTUWSAR-UHFFFAOYSA-N","45028202",NA,"PDBC37573","741613","Present"
-"Isoroserine","","","","","","","","","","","","","","","","","","","","isoroserine","","COC1=C(C(=C2C3=C4C(CCC3)CC[N+]4=CC2=C1)OC)OC.[Cl-]","DPEYQHDJRPZHIC-UHFFFAOYSA-M","395428",NA,"PDBC37574","699963","Present"
-"Isoscrophulariosid","","","","","","","","","","","","","","","","","","","","Isoscrophulariosid","","C1=CC=C(C=C1)C=CC(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O","CVCVKDKFYYUQSF-VKTUIASDSA-N","5384786",NA,"PDBC37575","362012","Present"
-"Isospiropachysine","","","","","","","","","","","","","","","","","","","","Spiropachysine","","CC(C1CCC2C1(CCC3C2CCC4C3(CCC5(C4)C6=CC=CC=C6C(=O)N5C)C)C)N(C)C","SLGWGPQWJRVPAD-IVIUYWDCSA-N","374414",NA,"PDBC37576","652124","Present"
-"Isostrychnine","","","","","","","","","","","","","","","","","","","","Isostrychnine","","C1CN2CC(=CCO)C3CC2C14C5C3=CCC(=O)N5C6=CC=CC=C46","PNYOGGAOQVIZDM-NTUHNPAUSA-N","5318675",NA,"PDBC37577","99791","Present"
-"Isostrychnopentamine A","","","","","","","","","","","","","","","","","","","","Isostrychnopentamine A","","CN1CCCC1C2=C(C=CC3=C2NC4=C3CCN5C4CC(C(C5)C=C)CC6C7=C(CCN6C)C8=CC=CC=C8N7)O","PHLJPJICTIGOKC-RZVVXSKCSA-N","6712642",NA,"PDBC37578","703772","Present"
-"Isostrychnopentamine A trihydrochloride","","","","","","","","","","","","","","","","","","","","Isostrychnopentamine A trihydrochloride","","CN1CCCC1C2=C(C=CC3=C2NC4=C3CCN5C4CC(C(C5)C=C)CC6C7=C(CCN6C)C8=CC=CC=C8N7)O.Cl","PPWHMKHGMBSUBI-ZMTMPHPOSA-N","54611556",NA,"PDBC37579","717224","Present"
-"Isosungucine","","","","","","","","","","","","","","","","","","","","Isosungucine","","CC=C1CN2CCC34C2CC1C5C3N(C6=CC=CC=C46)C(=O)C(=C5)C7CC89C1N7CC(=CC)C(C1)C1=CCC(=O)N(C18)C1=CC=CC=C91","YUHHQTGJEOQYDV-RARADXCZSA-N","5471853",NA,"PDBC37580","715083","Present"
-"Isoteucrin H4","","","","","","","","","","","","","","","","","","","","Isoteucrin H4","","CC1CC2C3=C(C14CC(OC4=O)C5=COC=C5)CC(CC3C(=O)O2)O","GEQWDBTYASTNAP-VWJDLHCYSA-N","6711998",NA,"PDBC37581","650964","Present"
-"Isothianinhydrin","","","","","","","","","","","","","","","","","","","","Isothianinhydrin","","C1=C2C(=CS1)C(=O)C(C2=O)(O)O","YFCNVDPRLIUAJH-UHFFFAOYSA-N","398917",NA,"PDBC37582","709151","Present"
-"Isothiazolidine, 2-nitroso-, 1,1-dioxide","","","","","","","","","","","","","","","","","","","","Isothiazolidine, 2-nitroso-, 1,1-dioxide","","C1CN(S(=O)(=O)C1)N=O","LBEMSICGMILWFG-UHFFFAOYSA-N","379811",NA,"PDBC37583","664911","Present"
-"Isothiazolo[5,4-b]pyridin-3(2H)-one, 2-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4,6-dimethyl-","","","","","","","","","","","","","","","","","","","","2-[2-Hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one","","CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCN(CC3)C4=NC=CC=N4)O)C","YTMCMILIVNHTJG-UHFFFAOYSA-N","401092",NA,"PDBC37584","713915","Present"
-"Isothiazolo[5,4-b]pyridine-2(3H)-acetic acid, 5-nitro-3-oxo-, ethyl ester","","","","","","","","","","","","","","","","","","","","Isothiazolo[5,4-b]pyridine-2(3H)-acetic acid, 5-nitro-3-oxo-, ethyl ester","","CCOC(=O)CN1C(=O)C2=C(S1)N=CC(=C2)[N+](=O)[O-]","BLRLCZDVLCCCJM-UHFFFAOYSA-N","385040",NA,"PDBC37585","675961","Present"
-"Isothiocyanoalloaromadendrane","","","","","","","","","","","","","","","","","","","","(-)-10(S)-Isothiocyanoalloaromadendrane","","CC1CCC2C1C3C(C3(C)C)CCC2(C)N=C=S","ARPIGBFJJLTHFU-ZBXLYSBASA-N","383471",NA,"PDBC37586","671857","Present"
-"Isothiourea, 2,4-dinitro-","","","","","","","","","","","","","","","","","","","","Carbamimidothioic acid, (4-chloro-1-naphthalenyl)methyl ...","","C1=CC=C2C(=C1)C(=CC=C2Cl)CSC(=N)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O","MXBNXBMVIBIEQE-UHFFFAOYSA-N","235013",NA,"PDBC37587","35950","Present"
-"Isovelleral","","","","","","","","","","","","","","","","","","","","Isovelleral","","CC1(CC2C=C(C3(CC3(C2C1)C)C=O)C=O)C","PJAAESPGJOSQGZ-UHFFFAOYSA-N","326993",NA,"PDBC37588","299922","Present"
-"Isovenenatine","","","","","","","","","","","","","","","","","","","","venetine","","COC1=CC=CC2=C1C3=C(N2)C4CC5C(CCC(C5C(=O)OC)O)CN4CC3","WMMZYEBFJWWUJX-UHFFFAOYSA-N","433868",NA,"PDBC37589","339139","Present"
-"Isoviolastyrene","","","","","","","","","","","","","","","","","","","","ISOVIOLASTYRENE","","COC1=CC(=C(C=C1CC=CC2=CC=CC=C2)O)OC","BIOKFCCSNSUOLP-RMKNXTFCSA-N","5458527",NA,"PDBC37590","269123","Present"
-"Isowithanolide E,15-epoxy-6 alpha-","","","","","","","","","","","","","","","","","","","","14,15-epoxy-6.alpha.-isowithanolide e","","CC1=C(C(=O)OC(C1)C(C)(C2(CC3C4(C2(CCC5C4CC(C67C5(C(=O)C=CC6O7)C)O)C)O3)O)O)C.CC1=C(C(=O)OC(C1)C(C)(C2(CC3C4(C2(CCC5C4CC(C67C5(C(=O)C=CC6O7)C)O)C)O3)O)O)C","TVXAZCZATSVBKL-UHFFFAOYSA-N","435962",NA,"PDBC37591","379695","Present"
-"Isoxanthopterin","","","","","","","","","","","","","","","","","","","","Isoxanthopterin","","C1=NC2=C(NC1=O)N=C(NC2=O)N","GLKCOBIIZKYKFN-UHFFFAOYSA-N","135398700",NA,"PDBC37592","118090","Present"
-"Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-","","","","","","","","","","","","","","","","","","","","Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-","","CC1=NOC(=C1)C2=CC=CN2","RDYWXDGLHVIVTL-UHFFFAOYSA-N","392921",NA,"PDBC37593","694105","Present"
-"Isoxazolo[5,2,3-triazin-4(3H)-one, 3-(4-chlorophenyl)-5-methyl-","","","","","","","","","","","","","","","","","","","","Isoxazolo[5,4-d]-1,2,3-triazin-4(3H)-one, 3-(4-chlorophe...","","CC1=NOC2=C1C(=O)N(N=N2)C3=CC=C(C=C3)Cl","WAAQTRAHVAVRDT-UHFFFAOYSA-N","399226",NA,"PDBC37594","709900","Present"
-"Isoxazolyl-prodrug of distamycin (stallimycin)","","","","","","","","","","","","","","","","","","","","Isoxazolyl-prodrug of distamycin (stallimycin)","","CCOC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=C(ON=C4C5=CC=CC=C5)C","UQYDHAMNOJTJSL-UHFFFAOYSA-N","357929",NA,"PDBC37595","617595","Present"
-"Itacitinib","","","","","","","","","","","","","","","","","","","","Itacitinib","","C1CN(CCC1N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)C(=O)C6=C(C(=NC=C6)C(F)(F)F)F","KTBSXLIQKWEBRB-UHFFFAOYSA-N","53380437",NA,"PDBC37596","792849","Present"
-"Italanafuchsine","","","","","","","","","","","","","","","","","","","","Azo Grenadine L","","CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","WBYMUJVTIQEEOC-UHFFFAOYSA-N","135421960",NA,"PDBC37597","45200","Present"
-"Italicic acid","","","","","","","","","","","","","","","","","","","","Italicic acid","","CCCCC1(C=CC(=C2C(=O)C(=CC(=O)O)OC2=O)O1)C","NPKYNQPMKHIDCY-GGXBSVTOSA-N","5388581",NA,"PDBC37598","637142","Present"
-"Italicinic acid","","","","","","","","","","","","","","","","","","","","Italicinic acid","","CCCCC(C)C=CC(=O)C1=C(C(=CC(=O)O)OC1=O)O","DPHXIYPTUGEXJY-VEQVDCDKSA-N","54679381",NA,"PDBC37599","637141","Present"
-"Itomanindole A","","","","","","","","","","","","","","","","","","","","Itomanindole A","","CSC1=C(NC2=C1C(=CC(=C2)Br)Br)S(=O)C","RPUHYZCTFRSRAR-UHFFFAOYSA-N","362040",NA,"PDBC37600","625547","Present"
-"Ivacaftor","","","","","","","","","","","","","","","","","","","","Ivacaftor","","CC(C)(C)C1=C(C(=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3N2)C(C)(C)C)O","LLDRUIYRPIIWSI-UHFFFAOYSA-N","125154537",NA,"PDBC37601","764778","Present"
-"Ivalbatin acetate","","","","","","","","","","","","","","","","","","","","IVALBATIN ACETATE","","CC1C(CC2C(C=C1CCC(=O)C)OC(=O)C2=C)OC(=O)C","HDGJZUYCLFNJBX-UHFFFAOYSA-N","324500",NA,"PDBC37602","290136","Present"
-"Ivalbin","","","","","","","","","","","","","","","","","","","","Ivalbin","","CC1CC2C(CC=C1C(CC(C)O)O)C(=C)C(=O)O2","TVKYSIIBPQZNFW-UHFFFAOYSA-N","286755",NA,"PDBC37603","145904","Present"
-"Ivalin","","","","","","","","","","","","","","","","","","","","Ivalin","","CC12CC(CC(=C)C1CC3C(C2)OC(=O)C3=C)O","OVIILQQKQPCQTF-JYKNGBAOSA-N","257273",NA,"PDBC37604","85237","Present"
-"Ivosidenib","","","","","","","","","","","","","","","","","","AG-120 (Ivosidenib)","","ivosidenib","","","","",NA,"PDBC37605","789102","Present"
-"Ixoside, 10-methyl","","","","","","","","","","","","","","","","","","","","Ixoside, 10-methyl","","COC(=O)C1=CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O","DKSFGHQZRXXSTP-YGJYQBNUSA-N","354980",NA,"PDBC37606","607773","Present"
-"Iyomycin A complex","","","","","","","","","","","","","","","","","","","","Iyomycin A complex","","","","",NA,"PDBC37607","94217","Present"
-"Iyomycin B1","","","","","","","","","","","","","","","","","","","","Iyomycin B1","","","","",NA,"PDBC37608","83340","Present"
-"J-100034","","","","","","","","","","","","","","","","","","","","J-100034","","C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C(C=C4)O)OC3=O","CYONGLVNBSZCQH-UHFFFAOYSA-N","135426721",NA,"PDBC37609","711198","Present"
-"J-400634","","","","","","","","","","","","","","","","","","","","J-400634","","CSC1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3","QKGHDDGIUNCPCQ-UHFFFAOYSA-N","385621",NA,"PDBC37610","676944","Present"
-"J-501875","","","","","","","","","","","","","","","","","","","","J-501875","","C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)Cl","GTSKIPKSVPFFLB-JXMROGBWSA-N","5354553",NA,"PDBC37611","13151","Present"
-"J-501934","","","","","","","","","","","","","","","","","","","","J-501934","","C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)O","AZEHEBLLFINCCX-LREOWRDNSA-N","5468276",NA,"PDBC37612","667227","Present"
-"J3.493.451G","","","","","","","","","","","","","","","","","","","","J3.493.451G","","CC1=C(C2=CC=CC=C2N1)C3=CC(=O)N(C3=O)C4=CC=CC=C4","JJTLKPMPBAGFOR-UHFFFAOYSA-N","381770",NA,"PDBC37613","668842","Present"
-"J3.511.391F","","","","","","","","","","","","","","","","","","","","J3.511.391F","","CC1(C2CCC1(C(=O)C2=NC(C)(C)C)C)C","SFXLZDUFGRLXCV-UHFFFAOYSA-N","395321",NA,"PDBC37614","699803","Present"
-"J3.513.434D","","","","","","","","","","","","","","","","","","","","J3.513.434D","","CN1CCC2=CC(=C(C=C2C(O1)C(=C)C3=CC=CC=C3)OC)OC","XIPDQXDTQNIVFS-UHFFFAOYSA-N","383922",NA,"PDBC37615","672878","Present"
-"J3.519.474F","","","","","","","","","","","","","","","","","","","","J3.519.474F","","C1=CC=C(C=C1)CN(CCN2C(=O)C3=CC=CC=C3C2=O)CCN4C(=O)C5=CC=CC=C5C4=O","PLLNVXHAJVXNKA-UHFFFAOYSA-N","361763",NA,"PDBC37616","625029","Present"
-"J3.519.594G","","","","","","","","","","","","","","","","","","","","J3.519.594G","","C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)C(=O)C4=CC=C(C=C4)Cl","UVAAAQSMOMGMPU-NBVRZTHBSA-N","54612751",NA,"PDBC37617","748870","Present"
-"J3.529.118K","","","","","","","","","","","","","","","","","","","","J3.529.118K","","C1=CC=C(C=C1)C(=CC2=CC=CS2)C(=O)C3=CC=CC=C3","LVXTZNNEHGXBMH-NBVRZTHBSA-N","5934664",NA,"PDBC37618","700244","Present"
-"J3.542.985I","","","","","","","","","","","","","","","","","","","","J3.542.985I","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC=C(C=C2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C","VBADAZYLOHVWTQ-UHFFFAOYSA-N","386877",NA,"PDBC37619","679735","Present"
-"J3.547.609A","","","","","","","","","","","","","","","","","","","","J3.547.609A","","C=CCNC1=NC2=C(S1)C(=O)C3=CC=CC=C3C2=O","WYYBABIENBJOLM-UHFFFAOYSA-N","364763",NA,"PDBC37620","631522","Present"
-"J3.552.060K","","","","","","","","","","","","","","","","","","","","J3.552.060K","","C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)Cl)Cl)F","BEAYPINMCWLHNW-FPYGCLRLSA-N","19562967",NA,"PDBC37621","734471","Present"
-"J3.566.338J","","","","","","","","","","","","","","","","","","","","J3.566.338J","","C=C(CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)F)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","CIXROPWNAJKHLB-UHFFFAOYSA-N","11619074",NA,"PDBC37622","733252","Present"
-"J3.571.933D","","","","","","","","","","","","","","","","","","","","J3.571.933D","","C1=CC=C(C(=C1)C(=O)C=CC2=CC=CC=N2)O","RKZYMHSZANCMPI-CMDGGOBGSA-N","5356047",NA,"PDBC37623","49651","Present"
-"J3.572.907K","","","","","","","","","","","","","","","","","","","","J3.572.907K","","C1=CC=C2C(=C1)C(C3N2C(=O)C4=CC=CC=C4N3)O","JQCPIZLOHIHHFG-UHFFFAOYSA-N","396709",NA,"PDBC37624","703318","Present"
-"J3.582.436G","","","","","","","","","","","","","","","","","","","","J3.582.436G","","CC1(OC(=O)C(=C2CCC(N2)OC)C(=O)O1)C","IHGNGPSYGRSHFJ-UHFFFAOYSA-N","367275",NA,"PDBC37625","636825","Present"
-"J3.585.877F","","","","","","","","","","","","","","","","","","","","J3.585.877F","","C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=CS4","VINZHXJVOFAMRY-UHFFFAOYSA-N","381137",NA,"PDBC37626","667455","Present"
-"J3.596.257C","","","","","","","","","","","","","","","","","","","","J3.596.257C","","CN(C)C1=CC=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)N(C)C","QWNDFMRIRKGHKE-KAVGSWPWSA-N","5936060",NA,"PDBC37627","666296","Present"
-"J3.600.858J","","","","","","","","","","","","","","","","","","","","J3.600.858J","","C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","VBDMKQQPIZZLGR-FYWRMAATSA-N","2833828",NA,"PDBC37628","698369","Present"
-"J3.605.362C","","","","","","","","","","","","","","","","","","","","J3.605.362C","","C(CCCCC1=NNC(=S)O1)CCCC2=NNC(=S)O2","JDQBDYRFPFBELI-UHFFFAOYSA-N","2729454",NA,"PDBC37629","697173","Present"
-"J3.622.195J","","","","","","","","","","","","","","","","","","","","J3.622.195J","","C1=CC=C2C(=C1)C(=CN2)C=CC(=O)C3=CC=CC=C3O","BNYXDAPVMGMJTA-MDZDMXLPSA-N","5933164",NA,"PDBC37630","614528","Present"
-"J3.628.409I","","","","","","","","","","","","","","","","","","","","J3.628.409I","","C1CC2(C=C(C(=O)C(=C2)Br)Br)OC1=O","UWFJJLVMISJSHR-UHFFFAOYSA-N","285494",NA,"PDBC37631","142475","Present"
-"J3.638.825K","","","","","","","","","","","","","","","","","","","","J3.638.825K","","C1C(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3C(=O)O","GTRFHPLFAYPTSD-UHFFFAOYSA-N","385698",NA,"PDBC37632","677044","Present"
-"J3.659.779H","","","","","","","","","","","","","","","","","","","","J3.659.779H","","CC12CCC3C(C1CC(=CC4=CC=C(C=C4)N(C)C)C2=O)CCC5=C3C=CC(=C5)OC","LDMKWZWZDAKONI-OEOINTFNSA-N","5470420",NA,"PDBC37633","701227","Present"
-"JAAZJUITWOKRKO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","JAAZJUITWOKRKO-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C(=O)C3C(C2=O)C4C3C(=O)C5=CC=CC=C5C4=O","JAAZJUITWOKRKO-UHFFFAOYSA-N","361801",NA,"PDBC37634","625121","Present"
-"JAK inhibitor 17b","","","","","","","","","","","","","","","","","","","","NSC800445","","COC1=C(C=C2C(=C1)C3=CN=C4C(=C3N(C2=O)CC5CCCCC5)C=CN4)OC","RSFALMGMTQBFJZ-UHFFFAOYSA-N","137321156",NA,"PDBC37635","800445","Present"
-"JB1","","","","","","","","","","","","","","","","","","","JB1","","","CCCCC(CCO)C(C)C1CCC2C1(CCCC2CCC3=C(C(CC(C3)O)O)C)C","DHZOGFADXFKXSH-PMMQCNKASA-N","25150849",NA,"PDBC37636","","Absent"
-"JBMCYARHKHSASM-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","JBMCYARHKHSASM-UHFFFAOYSA-N","","C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=C(C=C4)C(=O)NCC(=O)O)C=C(C=C2)[N+](=O)[O-])CCl","JBMCYARHKHSASM-UHFFFAOYSA-N","390670",NA,"PDBC37637","688301","Present"
-"JEKQTGLFMVGNGE-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","JEKQTGLFMVGNGE-UHFFFAOYSA-N","","CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C","JEKQTGLFMVGNGE-UHFFFAOYSA-N","387754",NA,"PDBC37638","681783","Present"
-"JKOAOORFAJWFIW-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","JKOAOORFAJWFIW-UHFFFAOYSA-N","","C1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO","JKOAOORFAJWFIW-UHFFFAOYSA-N","385223",NA,"PDBC37639","676336","Present"
-"JNJ 303","","","","","","","","","","","","","","","","","","","","JNJ 303","","CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)NS(=O)(=O)C)OC4=CC=C(C=C4)Cl","OSGIRCJRKSAODN-UHFFFAOYSA-N","73016713",NA,"PDBC37640","782308","Present"
-"JNJ-28312141 free base","","","","","","","","","","","","","","","","","JNJ-28312141","","","JNJ-28312141","","","","11676971",NA,"PDBC37641","754345","Present"
-"JNJ-3887618","","","","","","","","","","","","","","","","","","","","JNJ-3887618","","C1=CC2=C(C=CC(=C2)C(C3=NN=C4N3N=C(C=C4)C5=CC=NC=C5)(F)F)N=C1","KOAWAWHSMVKCON-UHFFFAOYSA-N","57654476",NA,"PDBC37642","807626","Present"
-"JNJ-47117096","","","","","","","","","","","","","","","","","","","","JNJ-47117096","","","","",NA,"PDBC37643","783272","Present"
-"JOUSFQISCOTOSZ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","JOUSFQISCOTOSZ-UHFFFAOYSA-N","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC)NC(=O)C3=CC=CC=C3","JOUSFQISCOTOSZ-UHFFFAOYSA-N","383664",NA,"PDBC37644","672082","Present"
-"JPM-565 Sodium salt","","","","","","","","","","","","","","","","","","","","JPM-565 Sodium salt","","CC(C)CC(C(=O)NCCC1=CC=C(C=C1)O)NC(=O)C2C(O2)C(=O)O.[Na+]","ICQJNTIVWIYJAL-WDTSGDEMSA-N","54612707",NA,"PDBC37645","735210","Present"
-"JPM-OEt","","","","","","","","","","","","","","","","","","","","JPM-OEt","","CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)NCCC2=CC=C(C=C2)O","VRFYYTLIPKHELT-ULQDDVLXSA-N","11257859",NA,"PDBC37646","733269","Present"
-"JQ-35, (S)-","","","","","","","","","","","","","","","","","","","","JQ-35, (S)-","","CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl)C","PKQXLRYFPSZKDU-QFIPXVFZSA-N","54670351",NA,"PDBC37647","816555","Present"
-"JQTJAMXNMIMRDL-CMDGGOBGSA-N","","","","","","","","","","","","","","","","","","","","JQTJAMXNMIMRDL-CMDGGOBGSA-N","","CC1=CC=C(C=C1)C=CC(=O)C(C)C","JQTJAMXNMIMRDL-CMDGGOBGSA-N","5918629",NA,"PDBC37648","651747","Present"
-"JS-3002","","","","","","","","","","","","","","","","","","","","JS-3002","","CC1=C(C(=CC=C1)C(C)C)NC(=O)CCl","MELPBOXLVQNGPR-UHFFFAOYSA-N","360283",NA,"PDBC37649","622317","Present"
-"JS-K","","","","","","","","","","","","","","","","","","","","JS-K","","CCOC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]","DNJRNBYZLPKSHV-RGEXLXHISA-N","9572720",NA,"PDBC37650","724771","Present"
-"JTC-801 free base","","","","","","","","","","","","","","","","","","","","NSC791462","","CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N","VTGBZWHPJFMTKS-UHFFFAOYSA-N","5311340",NA,"PDBC37651","791462","Present"
-"JUNCUSOL DERIV (COMPOUND 1)","","","","","","","","","","","","","","","","","","","","JUNCUSOL DERIV (COMPOUND 1)","","C[N+](C)(CC1=C(C=C2CCC3=CC=CC=C3C2=C1)OC)CSC4=CC=CC=C4.[Br-]","DZCJDDQISGMFGR-UHFFFAOYSA-M","24200489",NA,"PDBC37652","378135","Present"
-"JVTPPBDUXQMTCU-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","JVTPPBDUXQMTCU-UHFFFAOYSA-N","","CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C)C","JVTPPBDUXQMTCU-UHFFFAOYSA-N","387801",NA,"PDBC37653","681873","Present"
-"JZ1U5IKG44","","","","","","","","","","","","","","","","","","","","JZ1U5IKG44","","C1CCC2=C(C1)C(=NN2)CC3CC(=O)NC(=O)C3","UBBPYSBRGBQMLR-UHFFFAOYSA-N","270048",NA,"PDBC37654","112141","Present"
-"Jaborosalactone D","","","","","","","","","","","","","","","","","","","","Acnistoferin","","CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)CO","LDWRZKAVHDHGID-VZGLNVPESA-N","268947",NA,"PDBC37655","109439","Present"
-"Jacaranone","","","","","","","","","","","","","","","","","","","","jacaranone","","COC(=O)CC1(C=CC(=O)C=C1)O","WJZSKNRPRWCLLK-UHFFFAOYSA-N","73307",NA,"PDBC37656","251682","Present"
-"Jacobine","","","","","","","","","","","","","","","","","","","","Jacobine","","CC1CC2(C(O2)C)C(=O)OC3CCN4C3C(=CC4)COC(=O)C1(C)O","IAPHXJRHXBQDQJ-YLFNNMARSA-N","6712947",NA,"PDBC37657","89936","Present"
-"Jaconine hydrochloride","","","","","","","","","","","","","","","","","","","","jaconine hydrochloride","","CC1CC(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)(C(C)Cl)O.Cl","AOFLJXYFSXFMOL-QTUOXSIISA-N","5351514",NA,"PDBC37658","30624","Present"
-"Janus Red B","","","","","","","","","","","","","","","","","","","","janus red","","CC1=C(C=CC(=C1)N=NC2=C(C=CC3=CC=CC=C32)O)N=NC4=CC(=CC=C4)[N+](C)(C)C","FZIVLAIWGJAHRT-UHFFFAOYSA-O","407803",NA,"PDBC37659","9609","Present"
-"Janus green B","","","","","","","","","","","","","","","","","","","","janus green v","","CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)N(C)C)N=C2C=C1)C5=CC=CC=C5.[Cl-]","XXACTDWGHQXLGW-UHFFFAOYSA-M","76123",NA,"PDBC37660","13986","Present"
-"Japodagrol","","","","","","","","","","","","","","","","","","","","Japodagrol","","CC1CC2C(C2(C)C)CCC(C=C3C(=O)C(=CC3(C1=O)O)C)(C)O","FBVWSXCVYVNYII-MGXMGDQBSA-N","11969873",NA,"PDBC37661","631742","Present"
-"Jasplakinolide","","","","","","","","","","","","","","","","","","","","Jaspamide","","CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=C(NC3=CC=CC=C32)Br)C4=CC=C(C=C4)O)C","GQWYWHOHRVVHAP-DHKPLNAMSA-N","9831636",NA,"PDBC37662","613009","Present"
-"Jasplakinolide epoxide C","","","","","","","","","","","","","","","","","","","","Jasplakinolide epoxide C","","CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC2(C1O2)C)C)C)C)CC3=C(NC4=CC=CC=C43)Br)C5=CC=C(C=C5)O)C","VMIIVZLUGYTWOR-CFTVTNDJSA-N","372550",NA,"PDBC37663","647763","Present"
-"Jatrophatrione","","","","","","","","","","","","","","","","","","","","Jatrophatrione","","CC1CC2C(=C1)C=C(C(=O)CC3C(CC(=O)C3(C2=O)C)(C)C)C","TYBGBKQPLBAYQG-QUQIGMKXSA-N","5358455",NA,"PDBC37664","254668","Present"
-"Jatrophone","","","","","","","","","","","","","","","","","","","","jatrophon","","CC1CC23C(=C1)C=C(C(=O)C=CC(CC(=C(C2=O)C)O3)(C)C)C","MJNNONLDVCCGCA-NNFBGVLYSA-N","5281373",NA,"PDBC37665","135037","Present"
-"Jatrorrhizine chloride","","","","","","","","","","","","","","","","","","","","jatrorrhizine","","COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC.[I-]","OZWLOJDPSVFYPW-UHFFFAOYSA-N","5459338",NA,"PDBC37666","93137","Present"
-"Java Red A","","","","","","","","","","","","","","","","","","","","java red a","","C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)O)O.[Na+]","ILTGBRCWJYLHTC-UHFFFAOYSA-N","135422168",NA,"PDBC37667","58047","Present"
-"Jayama","","","","","","","","","","","","","","","","","","","","Jayama","","","","",NA,"PDBC37668","645019","Present"
-"Jerantinine A Acetate","","","","","","","","","","","","","","","","","","","","Methyl (5a,12b,19a)-15-acetoxy-16-methoxy-2,3,6,7-tetrad...","","CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=CC(=C(C=C5N3)OC)OC(=O)C)C(=O)OC","IMCYDSFSAPKANT-HJOGWXRNSA-N","25058087",NA,"PDBC37669","783516","Present"
-"Jereisterol A","","","","","","","","","","","","","","","","","","","","Jereisterol A","","CC(C)C(C)CCC(C)C1CCC2C1(CC=C3C4(CCC(CC4CC=C2O3)OC)C)C","WMBAZILIIIRGQT-RASSUYBHSA-N","373981",NA,"PDBC37670","651014","Present"
-"Jervine","","","","","","","","","","","","","","","","","","","","Iervin","","CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)NC1","CLEXYFLHGFJONT-DNMILWOZSA-N","10098",NA,"PDBC37671","7520","Present"
-"Jineol","","","","","","","","","","","","","","","","","","","","Jineol","","C1=CC2=CC(=CN=C2C(=C1)O)O","IGDFDIZIHMFYGR-UHFFFAOYSA-N","177338",NA,"PDBC37672","694081","Present"
-"Jiuhuanin B","","","","","","","","","","","","","","","","","","","","Jiuhuanin B","","CC(=O)OC1CCC(C2C1(C3CC(C4C(C3(C(C2)OC(=O)C)C(=O)C4=C)OC(=O)C)OC(=O)C)C)(C)C","PHWSRBJBPGOZRJ-FRFALCNYSA-N","367619",NA,"PDBC37673","637461","Present"
-"Jolkinolide A","","","","","","","","","","","","","","","","","","","","Jolkinolide A","","CC1=C2C3C4(O3)CCC5C(CCCC5(C4C=C2OC1=O)C)(C)C","OYXDHOVYZKWSRM-PHJMNMFVSA-N","161953",NA,"PDBC37674","700085","Present"
-"Jolkinolide B","","","","","","","","","","","","","","","","","","","","Jolkinolide B","","CC1=C2C3C4(O3)CCC5C(CCCC5(C4C6C2(O6)OC1=O)C)(C)C","SOVOCMGDFRGRKF-MCDHERAVSA-N","161954",NA,"PDBC37675","700087","Present"
-"Julimycin B2, calcium salt","","","","","","","","","","","","","","","","","","","","julimycin b2","","CC(C1C2=C(C(=O)CC1(C)O)C(=O)C3=C(C2=O)C=CC(=C3O)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)C(=O)CC(C6C(C)OC(=O)C)(C)O)O)OC(=O)C","JGYMCVKOAWXEOB-UHFFFAOYSA-N","429117",NA,"PDBC37676","248605","Present"
-"Juncusol","","","","","","","","","","","","","","","","","","","","JUNCUSOL","","CC1=C(C=CC2=C1CCC3=CC(=C(C(=C32)C=C)C)O)O","XNVMKPYDOHZJLR-UHFFFAOYSA-N","72740",NA,"PDBC37677","220968","Present"
-"Jusmicranthin ethyl ether","","","","","","","","","","","","","","","","","","","","Jusmicranthin ethyl ether","","CCOC1C2=C(C=C3C=CC4=C(C3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)O1","JJXCEOLNFSCNNE-UHFFFAOYSA-N","398934",NA,"PDBC37678","709246","Present"
-"Justine","","","","","","","","","","","","","","","","","","","","Justine","","CCCCN1C(=O)C2CC3=C(C(N2C1=O)C4=CC(=CC=C4)O)NC5=CC=CC=C35","IDGCPAFIELNTPI-UHFFFAOYSA-N","402923",NA,"PDBC37679","717309","Present"
-"Juvenate","","","","","","","","","","","","","","","","","","","","Juvenate","","CC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C)C","QVJMXSGZTCGLHZ-ZPLWXOMKSA-N","5367549",NA,"PDBC37680","688246","Present"
-"K 31","","","","","","","","","","","","","","","","","","","","K 31","","CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)NC)OC)N4C)N","HDNPUSAWWBZZNX-UHFFFAOYSA-N","281830",NA,"PDBC37681","134723","Present"
-"K 33","","","","","","","","","","","","","","","","","","","","K 33","","CCNC(=O)OCC1C2=C(C(=O)C(=C(C2=O)N)C)N3C1(C4C(C3)N4C)OC","IKZZDSVQVJQNSV-UHFFFAOYSA-N","281832",NA,"PDBC37682","134725","Present"
-"KACHONGZICJHPM-KRWCAOSLSA-N","","","","","","","","","","","","","","","","","","","","KACHONGZICJHPM-KRWCAOSLSA-N","","CCOC(=O)COC1=CC=CC=C1C=C2CCC(C2=O)CN(C)C.Cl","KACHONGZICJHPM-KRWCAOSLSA-N","5387760",NA,"PDBC37683","626875","Present"
-"KALMIA LATIFOLIA, FROM (B668072 - A DIHYDROCHALCONE)","","","","","","","","","","","","","","","","","","","","KALMIA LATIFOLIA, FROM (B668072 - A DIHYDROCHALCONE)","","C1=CC(=C(C=C1CCC(=O)C2=C(C(=C(C=C2)O)O)O)O)O","CISQVWHIYYYZMR-UHFFFAOYSA-N","73059",NA,"PDBC37684","309121","Present"
-"KAUREN-19-OIC ACID","","","","","","","","","","","","","","","","","","","","KAUREN-19-OIC ACID","","CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O","NIKHGUQULKYIGE-UHFFFAOYSA-N","433869",NA,"PDBC37685","339145","Present"
-"KC 1260","","","","","","","","","","","","","","","","","","","","KC 1260","","CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CCC)OC(=O)CCC","PBICKNLZVRHBCU-UHFFFAOYSA-N","3521514",NA,"PDBC37686","76955","Present"
-"KC 515","","","","","","","","","","","","","","","","","","","","KC 515","","CSC1=NC(=C(C(=N1)Cl)Br)SC2=NC(=NC3=C2NC=N3)N","HCIPRXPENNHLHS-UHFFFAOYSA-N","460513",NA,"PDBC37687","52383","Present"
-"KC 516","","","","","","","","","","","","","","","","","","","","KC 516","","CCSC1=NC=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br","XEKFXTFUGWUZSY-UHFFFAOYSA-N","5228354",NA,"PDBC37688","52384","Present"
-"KC 60","","","","","","","","","","","","","","","","","","","","KC 60","","C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)Br","CQNRHAOUJJONJK-UHFFFAOYSA-N","238016",NA,"PDBC37689","42138","Present"
-"KC-1303","","","","","","","","","","","","","","","","","","","","KC-1303","","COC1=CC(=CC(=C1OCCCNC2=CC=C(C=C2)[N+](=O)[O-])OC)CC3=CN=C(N=C3N)N","CNCZXJNXDKNYKA-UHFFFAOYSA-N","391102",NA,"PDBC37690","689720","Present"
-"KCN-Tb109","","","","","","","","","","","","","","","","","","","","KCN-Tb109","","CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C3CC(CCN3C)O)OC(=O)C","XXHGNNXHWZYAPM-DQJZIKQUSA-N","155815078",NA,"PDBC37691","797908","Present"
-"KG2YKA51DD","","","","","","","","","","","","","","","","","","","","KG2YKA51DD","","C1CSCC2=CC=C(S2)CSCCS1","GFFSEQUFOHFBGI-UHFFFAOYSA-N","373749",NA,"PDBC37692","650649","Present"
-"KGIPRPGSWXIOOJ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","KGIPRPGSWXIOOJ-UHFFFAOYSA-N","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)OCC","KGIPRPGSWXIOOJ-UHFFFAOYSA-N","384778",NA,"PDBC37693","675214","Present"
-"KH-CARB10","","","","","","","","","","","","","","","","","","","","KH-CARB10","","CN1CCC2(CC1)C(C3=C(C(=O)N2)N(C4=C3C=CC(=C4Cl)Cl)C)C#N","XGUIMGJMQKZRGM-UHFFFAOYSA-N","56946086",NA,"PDBC37694","745321","Present"
-"KH-CARB13","","","","","","","","","","","","","","","","","","","","KH-CARB13","","CN1C2=C(C=CC(=C2Cl)Cl)C3=C1C(=O)NC4(C3C#N)CCNCC4","OWAWOKKHZNRHGV-UHFFFAOYSA-N","54613583",NA,"PDBC37695","748497","Present"
-"KHK-Indazole","","","","","","","","","","","","","","","","","","","","KHK-Indazole","","C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C=CC3=NNC4=CC=CC=C43","FYOCRMHCTFYOPQ-CCEZHUSRSA-N","68999822",NA,"PDBC37696","761931","Present"
-"KI20227","","","","","","","","","","","","","","","","","KI20227","","","","","","","9869779",NA,"PDBC37697","","Absent"
-"KJAJGFQWPNSYEW-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","KJAJGFQWPNSYEW-UHFFFAOYSA-N","","CCN=C1NC2=C(C=C(C=C2)Cl)C(=NN1)C3=CC=CC=C3","KJAJGFQWPNSYEW-UHFFFAOYSA-N","135503448",NA,"PDBC37698","633212","Present"
-"KKIQVSBZFBKASX-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","KKIQVSBZFBKASX-UHFFFAOYSA-N","","CC1(CC(=C)C(=O)O1)COC2=CC(=O)OC3=CC=CC=C32","KKIQVSBZFBKASX-UHFFFAOYSA-N","381513",NA,"PDBC37699","668269","Present"
-"KLXOIVABBVGCQQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","KLXOIVABBVGCQQ-UHFFFAOYSA-N","","CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C3=CC=CC=C3","KLXOIVABBVGCQQ-UHFFFAOYSA-N","387757",NA,"PDBC37700","681786","Present"
-"KNI-272","","","","","","","","","","","","","","","","","","","","KNI-272","","CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O","NJBBLOIWMSYVCQ-OKHMJZBSSA-N","374224",NA,"PDBC37701","651714","Present"
-"KPQDGYRDIJDARD-XCVCLJGOSA-N","","","","","","","","","","","","","","","","","","","","KPQDGYRDIJDARD-XCVCLJGOSA-N","","C1=CC(=CC=C1C=CC2=NC(=C(C(=N2)Cl)C3=CC=C(C=C3)Cl)Cl)Cl","KPQDGYRDIJDARD-XCVCLJGOSA-N","5373789",NA,"PDBC37702","154389","Present"
-"KPT-251","","","","","","","","","","","","","","","","","","","","KPT-251","","C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)C=CC3=NN=CO3","LDFXTRYMMZGKIC-UPHRSURJSA-N","57519758",NA,"PDBC37703","773260","Present"
-"KSD 2240","","","","","","","","","","","","","","","","","","","","KSD 2240","","C1CC2CCCC(C1)N2CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O","HNVBUDCGAROXSW-UHFFFAOYSA-N","16159",NA,"PDBC37704","665682","Present"
-"KTJSEZXWMADWSE-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","KTJSEZXWMADWSE-UHFFFAOYSA-N","","CC1CC(=NC2=CC=CC=C2S1)C3=CC=C(C=C3)OC","KTJSEZXWMADWSE-UHFFFAOYSA-N","367268",NA,"PDBC37705","636817","Present"
-"KUC100204","","","","","","","","","","","","","","","","","","","","KUC100204","","CC(=O)NC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)OC","XMMCHNWXMDDRGJ-UHFFFAOYSA-N","378309",NA,"PDBC37706","660313","Present"
-"KUC100255","","","","","","","","","","","","","","","","","","","","KUC100255","","COC1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)Cl","RJLIRWCQLYBRNB-UHFFFAOYSA-N","372267",NA,"PDBC37707","647323","Present"
-"KUC100260N","","","","","","","","","","","","","","","","","","","","KUC100260N","","COC1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)F","CKKNQZFHAOVUDZ-UHFFFAOYSA-N","372268",NA,"PDBC37708","647324","Present"
-"KUC105261N","","","","","","","","","","","","","","","","","","","","KUC105261N","","C1=CC(=CC=C1NC(=O)NN2C=NN=C2)[N+](=O)[O-]","WXDUQXBMDFVQDS-UHFFFAOYSA-N","393650",NA,"PDBC37709","695915","Present"
-"KVBOYRGBQZBEGQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","KVBOYRGBQZBEGQ-UHFFFAOYSA-N","","C1=CC(=C(C=C1NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F)Cl)F","KVBOYRGBQZBEGQ-UHFFFAOYSA-N","389155",NA,"PDBC37710","684839","Present"
-"KZVLPMDBDAWKQQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","KZVLPMDBDAWKQQ-UHFFFAOYSA-N","","C1COC2=NC(=O)C3=NSN=C3N21","KZVLPMDBDAWKQQ-UHFFFAOYSA-N","374796",NA,"PDBC37711","653042","Present"
-"Kadsuric acid","","","","","","","","","","","","","","","","","","","","Kadsuric acid","","CC(CCC=C(C)C(=O)O)C1CCC2(C1(CC=C3C2CCC(C3(C)CCC(=O)O)C(=C)C)C)C","JGNPDWQZTUZFHK-LYNKRMMFSA-N","5384417",NA,"PDBC37712","330514","Present"
-"Kaempferol 3-O-(2,6-di-O-alpha-L-rhamnopyranosyl)-beta-D-galactopyranoside","","","","","","","","","","","","","","","","","","","","Kaempferol 3-O-(2,6-di-O-.alpha.-L-rhamnopyranosyl)-.bet...","","CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O","WRXVPTMENPZUIZ-UHFFFAOYSA-N","5459192",NA,"PDBC37713","641258","Present"
-"Kalafungin","","","","","","","","","","","","","","","","","","","","kalamycin","","CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O","XUWPJKDMEZSVTP-UHFFFAOYSA-N","283138",NA,"PDBC37714","137443","Present"
-"Kalihinol Y","","","","","","","","","","","","","","","","","","","","Kalihinol Y","","CC1(C(CCC(O1)(C)C2CCC(=C)C3C2C(C(CC3)(C)O)[N+]#[C-])Cl)C","WNCZWKCUIVEIGJ-ZWOJUXLASA-N","6711942",NA,"PDBC37715","647641","Present"
-"Kallolide A","","","","","","","","","","","","","","","","","","","","Kallolide A","","CC1=C2C(C(CCC3=CC(C(C(=C1)O2)C(=C)C)OC3=O)C(=C)C)O","FUKVJHCKIJOHPW-RANZSIQMSA-N","394352",NA,"PDBC37716","697736","Present"
-"Karajinone A","","","","","","","","","","","","","","","","","","","","Karajinone A","","CC1CC2(C(C1OC(=O)C)C(C34COC(C3C5C(C5(C)COC(=O)C)CC4OC(=O)C6=CC=CC=C6)(C2=O)C)OC(=O)C)OC(=O)C","HBLTZTMUODEVKI-FKTGXNKUSA-N","398944",NA,"PDBC37717","709312","Present"
-"Karajinone B","","","","","","","","","","","","","","","","","","","","Karajinone B","","CC1CC2(C(C1OC(=O)C)C(C34COC(C3C5C(C5(C)COC(=O)C)CC4OC(=O)C6=CC=CC=C6)(C2=O)C)OC(=O)C)O","XEBNGXVAVDMLCS-HDHXJADUSA-N","398945",NA,"PDBC37718","709313","Present"
-"Karenitecin","","","","","","","","","","","","","","","","","","","","Karenitecin","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CC[Si](C)(C)C)O","POADTFBBIXOWFJ-VWLOTQADSA-N","148202",NA,"PDBC37719","710270","Present"
-"Kargp","","","","","","","","","","","","","","","","","","","","Kaempferol-3-O-[.beta.-D-apiofuranosyl(1-2)-.alpha.-rham...","","CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(CO6)(CO)O)O)O)O)O)O)O","PXDYLXHBUIPSMK-UHFFFAOYSA-N","5465152",NA,"PDBC37720","641259","Present"
-"Karounidiol","","","","","","","","","","","","","","","","","","","","Karounidiol","","CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)O)C","UIXJVDGAGQPTFR-ZSBHZPGCSA-N","159490",NA,"PDBC37721","705536","Present"
-"Kasuagamycin","","","","","","","","","","","","","","","","","","","","d-Inositol","","CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N","PVTHJAPFENJVNC-UHFFFAOYSA-N","265071",NA,"PDBC37722","100858","Present"
-"Kauranol","","","","","","","","","","","","","","","","","","","","Kauranol","","","","",NA,"PDBC37723","264878","Present"
-"Kauroic acid, methyl-ester","","","","","","","","","","","","","","","","","","","","KAUROIC ACID, DERIV, METHYL-ESTER","","CC12CCCC(C1CCC34C2CCC(C3)C(=C4)CO)(C)C(=O)OC","IURJXDRUVNGNGB-UHFFFAOYSA-N","434932",NA,"PDBC37724","360861","Present"
-"Kayaku Direct Scarlet B","","","","","","","","","","","","","","","","","","","","erie scarlet b","","CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=CC5=CC(=CC(=C54)S(=O)(=O)O)S(=O)(=O)O)O","WFDQLHCSKAIOER-UHFFFAOYSA-N","165135",NA,"PDBC37725","47744","Present"
-"Kedarcidin","","","","","","","","","","","","","","","","","","","","Kedarcidin","","CC1C(C(CC(O1)OC2COC(=O)C(CC3=NC(=C(C=C3)OC4C=C5C#CC2=CC#CC6C5(C4OC7CC(C(C(O7)C)O)(C)O)O6)Cl)NC(=O)C8=C(C=C9C=C(C(=C(C9=C8)OC)OC)OC(C)C)O)O)N(C)C","GFTRTMUGNRZABD-VQJYGPLWSA-N","5466986",NA,"PDBC37726","646276","Present"
-"Keenamide A","","","","","","","","","","","","","","","","","","","","Keenamide A","","CCC(C)C1C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C3=NC(CS3)C(=O)N1)CC(C)C)COC(C)(C)C=C","FCGBWFPYRURNCX-GIBQRDCBSA-N","391587",NA,"PDBC37727","691042","Present"
-"Kendomycin","","","","","","","","","","","","","","","","","","","","Kendomycin","","CC1CCC2C(C(C(C(O2)C3=C(C(=O)C(=C4C3=CC(O4)(C(CC(CC(=C1)C)C)C)O)C)O)C)O)C","HKLDUJXJTQJSEJ-OLXNOMCWSA-N","5472093",NA,"PDBC37728","716244","Present"
-"Kerriamycin B","","","","","","","","","","","","","","","","","","","","NSC372208///NSC606397","","CC1C(CCC(O1)OC23C(=O)CC(CC2(C=CC4=C3C(=O)C5=C(C4=O)C(=C(C=C5)C6CC(C(C(O6)C)O)OC7CCC(C(O7)C)OC8CC(C(C(O8)C)O)O)O)O)(C)O)O","FJSYXNOFZQFOAN-UHFFFAOYSA-N","340932",NA,"PDBC37729","372208///606397","Present"
-"Ketone, methyl 2-pyridyl, 4,4-dimethyl-3-thiosemicarbazone","","","","","","","","","","","","","","","","","","","","thiosemicarbazone r","","CC(=NNC(=S)N(C)C)C1=CC=CC=N1","ZMZIYBQONAEPNV-XYOKQWHBSA-N","5843399",NA,"PDBC37730","319725","Present"
-"Khasianine","","","","","","","","","","","","","","","","","","","","Khasianine","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1","KRQDMAXNTWLTDZ-KCNAIUQRSA-N","341948",NA,"PDBC37731","376459","Present"
-"Khellactone","","","","","","","","","","","","","","","","","","","","Visnagan","","CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O)C","HKXQUNNSKMWIKJ-UHFFFAOYSA-N","253856",NA,"PDBC37732","77209","Present"
-"Kidamycin","","","","","","","","","","","","","","","","","","","","NSC143094///NSC295565","","CC=C(C)C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4C5CC(C(C(O5)C)O)N(C)C)C6CC(C(C(O6)C)O)(C)N(C)C)O","MFTJRTUKCOVIMD-GZTJUZNOSA-N","5359060",NA,"PDBC37733","143094///295565","Present"
-"Kidamycin, acetyl-","","","","","","","","","","","","","","","","","","","","Acetylkidamycin","","CC=C(C)C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3(OC)OC(=O)C)C(=C(C=C4C5CC(C(C(O5)C)OC(=O)C)N(C)C)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)O","XYJIEMFSVFBJNI-RCCKNPSSSA-N","5913405",NA,"PDBC37734","143093","Present"
-"Kihadalactone A","","","","","","","","","","","","","","","","","","","","Kihadalactone A","","CC(=O)OC1CC2C(OC(=O)CC(C2(C3C1(C4=CCC(C4(CC3)C)C5=COC=C5)C)C)OC(=O)C)(C)C","ONWYJKOVGIGNQN-UOXTVKHISA-N","374817",NA,"PDBC37735","653154","Present"
-"Kihadalactone B","","","","","","","","","","","","","","","","","","","","Kihadalactone B","","CC(=O)OC1CC2C(OC(=O)CC(C2(C3C1(C4=CCC(C4(CC3)C)C5CC(=O)OC5)C)C)OC(=O)C)(C)C","HJPHEKIKOJMFTJ-YPZQBJONSA-N","374818",NA,"PDBC37736","653155","Present"
-"Kijanimicin deriv","","","","","","","","","","","","","","","","","","","","kijanimicin deriv","","CC1CC(C(C2C1C3(C(C=C2)C(=CCC(C(=CC4C=C(C(CC45C(=O)C(=C3O)C(=O)O5)C)CO)C)OC6CC(C(C(O6)C)NC(=O)OC)(C)[N+](=O)[O-])C)C)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC)O)O)C","OQCJHHCTOPGJEH-WYHCVXCHSA-N","54724665",NA,"PDBC37737","363182","Present"
-"Kijanimicin sodium salt","","","","","","","","","","","","","","","","","","","","Kijanimicin sodium salt","","CC1CC(C(C2C1C3(C(C=C2)C(=CCC(C(=CC4C=C(C(CC45C(=O)C(=C3O)C(=O)O5)C)CO)C)OC6CC(C(C(O6)C)NC(=O)OC)(C)[N+](=O)[O-])C)C)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC)O)OC1CC(C(C(O1)C)O)O)C","LKSBZILVASNBPF-COHDPUJKSA-N","54707591",NA,"PDBC37738","329515","Present"
-"Kikubasaponin","","","","","","","","","","","","","","","","","","","","Kikubasaponin","","CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC","LOSNTJHBTWBJCC-UOJDEKDCSA-N","6712587",NA,"PDBC37739","698792","Present"
-"Kinamycin C","","","","","","","","","","","","","","","","","","","","Kinamycin C","","CC(=O)OC1C(C(C(C2=C1C3=C(C2=[N+]=[N-])C(=O)C4=C(C3=O)C=CC=C4O)OC(=O)C)(C)O)OC(=O)C","MXDLFLPONIABIS-OLKYXYMISA-N","135430800",NA,"PDBC37740","138425","Present"
-"Kirromycin","","","","","","","","","","","","","","","","","","","","mocimycin","","CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(C=CNC2=O)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O","HMSYAPGFKGSXAJ-GFNGQHCCSA-N","135452521",NA,"PDBC37741","316094","Present"
-"Kiteplatin","","","","","","","","","","","","","","","","","","","","Kiteplatin","","","","",NA,"PDBC37742","785119","Present"
-"Kn-93","","","","","","","","","","","","","","","","","","","KN-93","","","CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC","LLLQTDSSHZREGW-AATRIKPKSA-N","5312122",NA,"PDBC37743","","Absent"
-"Knightol","","","","","","","","","","","","","","","","","","","","Knightol","","CC1=CCCC2(C(O2)CCC(=CCC(CC1)C(=C)C)CO)C","IARQGWSRSWYGLX-HHZYLZNASA-N","44480981",NA,"PDBC37744","740134","Present"
-"Kodak CD-3","","","","","","","","","","","","","","","","","","","","cd-iii","","CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O","CLJDCQWROXMJAZ-UHFFFAOYSA-N","13076776",NA,"PDBC37745","164932","Present"
-"Kodocytochalasin 1","","","","","","","","","","","","","","","","","","","","Cytochalasin H","","CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O","NAEWXXDGBKTIMN-BBXOWAOSSA-N","5351303",NA,"PDBC37746","305222","Present"
-"Kombetin","","","","","","","","","","","","","","","","","","","","uabaina","","CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O","LPMXVESGRSUGHW-UHFFFAOYSA-N","4605",NA,"PDBC37747","25485","Present"
-"Koningic Acid","","","","","","","","","","","","","","","","","","","","Koningic Acid","","CC(C)C1CCC2(CO2)C3C1C=C(COC3=O)C(=O)O","JESMSCGUTIEROV-ASHKBJFXSA-N","124511146",NA,"PDBC37748","785352","Present"
-"Koninginin A","","","","","","","","","","","","","","","","","","","","Koninginin A","","CCCCCCC1C2CCC3C(CCC(C3(O2)O1)O)O","GBDGOAVPCDIMFE-UHFFFAOYSA-N","386851",NA,"PDBC37749","679585","Present"
-"Kottamide A","","","","","","","","","","","","","","","","","","","","Kottamide A","","CCC(C)C1=NC(NC1=O)(C(C)C)C(=O)NC=CC2=CNC3=CC(=C(C=C32)Br)Br","APCCRXVVDURQKU-SREVYHEPSA-N","10029762",NA,"PDBC37750","722376","Present"
-"Kryptocyanine","","","","","","","","","","","","","","","","","","","","Cryptocyanin","","CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41.[I-]","CEJANLKHJMMNQB-UHFFFAOYSA-M","16219292",NA,"PDBC37751","34391","Present"
-"KuWal151","","","","","","","","","","","","","","","","","","","","3-(3-chlorophenyl)-6,7-dihydropyrrolo[3,4-g]indol-8(1H)-one","","C1C2=C(C3=C(C=C2)C(=CN3)C4=CC(=CC=C4)Cl)C(=O)N1","XZCWNSGWBUAUOO-UHFFFAOYSA-N","138991772",NA,"PDBC37752","795194","Present"
-"Kuanoniamine A","","","","","","","","","","","","","","","","","","","","1H-Pyrido[4,3,2-mn]thiazolo[4,5-b]acridin-9-one","","C1=CC=C2C(=C1)C3=C4C(=NC=C3)C5=C(C(=O)C4=N2)SC=N5","SABDUJMZZVLRAS-UHFFFAOYSA-N","390989",NA,"PDBC37753","689297","Present"
-"Kuanoniamine C","","","","","","","","","","","","","","","","","","","","Kuanoniamine C","","CCC(=O)NCCC1=C2C3=C(C=CN=C3C4=C1SC=N4)C5=CC=CC=C5N2","OHRPKUDJMIHDKF-UHFFFAOYSA-N","397485",NA,"PDBC37754","705533","Present"
-"Kumusine","","","","","","","","","","","","","","","","","","","","Kumusine","","CC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)N)(C)O)O","VGXNTNGMCOCQAZ-UHFFFAOYSA-N","387981",NA,"PDBC37755","682347","Present"
-"Kusaginin","","","","","","","","","","","","","","","","","","","","kusaginin","","CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O","FBSKJMQYURKNSU-QPJJXVBHSA-N","5459010",NA,"PDBC37756","603831","Present"
-"Kushenol N","","","","","","","","","","","","","","","","","","","","Kushenol N","","CC(=CCC(CC1=C2C(=C(C=C1O)OC)C(=O)C(C(O2)C3=C(C=C(C=C3)O)O)O)C(=C)C)C","QKEDJCCCNZWOBS-UHFFFAOYSA-N","381851",NA,"PDBC37757","668937","Present"
-"Kwells","","","","","","","","","","","","","","","","","","","","hysco","","CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br","WTGQALLALWYDJH-AKTDCHNFSA-N","22833499",NA,"PDBC37758","61806","Present"
-"Kyselina o-tosyl-h","","","","","","","","","","","","","","","","","","","","kyselina o-tosyl-h (czech)","","CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O","ZIQWUYNDHGXLIN-UHFFFAOYSA-N","23270",NA,"PDBC37759","16168","Present"
-"L(+)-Tartaric acid, bis(cinnamylidenehydrazide)","","","","","","","","","","","","","","","","","","","","l(+)-tartaric acid, bis(cinnamylidenehydrazide)","","C1=CC=C(C=C1)C=CC=NNC(=O)C(C(C(=O)NN=CC=CC2=CC=CC=C2)O)O","LIXQPTNMBCCLLW-CUBIQFJTSA-N","9561534",NA,"PDBC37760","57886","Present"
-"L-2'-DEOXYURIDINE","","","","","","","","","","","","","","","","","","","","L-2'-DEOXYURIDINE","","CN(CC1=C(C(=CC(=C1)Br)Br)O)CC2=C(C=CC3=CC=CC=C32)O","MDGLBXLWXXWTIJ-UHFFFAOYSA-N","259176",NA,"PDBC37761","88852","Present"
-"L-2-Amino-3-guanidinopropionic acid hydrochloride","","","","","","","","","","","","","","","","","","","","NSC334940","","C(C(C(=O)O)N)N=C(N)N.Cl","ZOXYHKHLLCDEAX-UHFFFAOYSA-N","24199565",NA,"PDBC37762","334940","Present"
-"L-Alanine, dicyclohexylamine (salt)","","","","","","","","","","","","","","","","","","","","L-Alanine, N-[N-[[(4-methoxyphenyl)azo]carbonyl]- L-leuc...","","CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)N=NC1=CC=C(C=C1)OC.C1CCC(CC1)NC2CCCCC2","OLVXYRIZXPTKQT-UHFFFAOYSA-N","386433",NA,"PDBC37763","678402","Present"
-"L-Alanosine","","","","","","","","","","","","","","","","","","","","dl-alanosine///alanosine","","C(C(C(=O)O)N)[N+](=NO)[O-]","ZGNLFUXWZJGETL-WAYWQWQTSA-N","135413540",NA,"PDBC37764","143647///529469","Present"
-"L-Alanyl derivative of 2-(4-amino-3-methylphenyl)-5-fluorobenzothiazole (HCl salt)","","","","","","","","","","","","","","","","","","","","L-alanyl derivative of 2-(4-amino-3-methylphenyl)-5-fluo...","","CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)NC(=O)C(C)N.Cl","XAYVIDVIXPKYHN-UHFFFAOYSA-N","400165",NA,"PDBC37765","711669","Present"
-"L-Aspartic acid, disodium salt","","","","","","","","","","","","","","","","","","","","N-Phosphonacetyl-L-aspartate","","C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O.[Na+]","NTPHVSVNFQQSAL-UHFFFAOYSA-N","54607056",NA,"PDBC37766","224131","Present"
-"L-Aspartic acid, platinum complex","","","","","","","","","","","","","","","","","","","","1,2-cyclohexanediamine, platinum complex (9ci)","","C1CCC(C(C1)[NH-])[NH-].C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O.[Pt+2]","LDQZTUSAPZHDLA-UHFFFAOYSA-N","432803",NA,"PDBC37767","328005","Present"
-"L-Cysteine analog","","","","","","","","","","","","","","","","","","","","L-Cysteine analog","","CCOC(=O)C(CSC(=O)NC)N.Cl","LYLDPAYWSCPRTI-UHFFFAOYSA-N","457392",NA,"PDBC37768","303861","Present"
-"L-Cysteine, S-(2-naphthalenyldiphenylmethyl)-","","","","","","","","","","","","","","","","","","","","l-cysteine, s-(2-naphthalenyldiphenylmethyl)- (9ci)","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC4=CC=CC=C4C=C3)SCC(C(=O)O)N","BCBSYXGYLMMICN-UHFFFAOYSA-N","420455",NA,"PDBC37769","123529","Present"
-"L-Cysteine, S-[(4-bromophenyl)diphenylmethyl]-","","","","","","","","","","","","","","","","","","","","L-Cysteine, S-[(4-bromophenyl)diphenylmethyl]- (9CI)","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Br)SCC(C(=O)O)N","CZMPYTSSFVPFPE-UHFFFAOYSA-N","420691",NA,"PDBC37770","126217","Present"
-"L-Cysteine, S-[(4-chlorophenyl)diphenylmethyl]-","","","","","","","","","","","","","","","","","","","","L-Cysteine, S-[(4-chlorophenyl)diphenylmethyl]-","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)SCC(C(=O)O)N","BSTXYLCINUXYQF-UHFFFAOYSA-N","275977",NA,"PDBC37771","123138","Present"
-"L-Cysteine, S-[(4-fluorophenyl)diphenylmethyl]-","","","","","","","","","","","","","","","","","","","","L-Cysteine, S-[(4-fluorophenyl)diphenylmethyl]- (9CI)","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)F)SCC(C(=O)O)N","GYNSTRCJYLZSGY-UHFFFAOYSA-N","420442",NA,"PDBC37772","123493","Present"
-"L-Cysteine, S-[bis(4-methylphenyl)phenylmethyl]-","","","","","","","","","","","","","","","","","","","","l-cysteine, s-[bis(4-methylphenyl)phenylmethyl]-","","CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C)SCC(C(=O)O)N","MSPIKMKQZSFDCR-UHFFFAOYSA-N","275979",NA,"PDBC37773","123140","Present"
-"L-Cysteine, S-[tris(4-methylphenyl)methyl]-","","","","","","","","","","","","","","","","","","","","L-Cysteine, S-[tris(4-methylphenyl)methyl]- (9CI)","","CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)SCC(C(=O)O)N","GLGZDJARSLSKDT-UHFFFAOYSA-N","420441",NA,"PDBC37774","123491","Present"
-"L-Cysteine, homopolymer, diphenyltin complex","","","","","","","","","","","","","","","","","","","","L-Cysteine, homopolymer, diphenyltin complex","","","","",NA,"PDBC37775","356235","Present"
-"L-Glutamamide,4-diamino-6-pteridinyl)methyl](methyl)amino]benzoyl]-N(1),N(5)-didecyl-","","","","","","","","","","","","","","","","","","","","L-Glutamamide, N(2)-[4-[[(2,4-diamino-6-pteridinyl)methy...","","CCCCCCCCCCNC(=O)CCC(C(=O)NCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","JHUNGZQPXRVEDL-UHFFFAOYSA-N","386226",NA,"PDBC37776","677942","Present"
-"L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-","","","","","","","","","","","","","","","","","","","","L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-qui...","","C#CCN(CC1=CC2=C(C=C1)N=C(NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","LTKHPMDRMUCUEB-UHFFFAOYSA-N","135402053",NA,"PDBC37777","327182","Present"
-"L-Glutamic acid,3,4,6-tetrahydro-3,6-dioxo-1,2,4--benzotriazin-2-yl)benzoyl]","","","","","","","","","","","","","","","","","","","","L-Glutamic acid, N-[4-(2,3,4,6-tetrahydro-3,6-dioxo-1,2,...","","C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N2C(=O)N=C3C=C(C=CC3=N2)O","ZLAVEQSTFKTPDE-AWEZNQCLSA-N","135503477",NA,"PDBC37778","639021","Present"
-"L-LYS-L-p-NO2Phe-L-Ala-L-p-NO2PheNH2","","","","","","","","","","","","","","","","","","","","L-LYS-L-p-NO2Phe-L-Ala-L-p-NO2PheNH2","","CC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N)NC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C(CCCCN)N","QLUJJUWCLAZBOA-UHFFFAOYSA-N","386384",NA,"PDBC37779","678355","Present"
-"L-Leucine, ester, hydrochloride (2:3)","","","","","","","","","","","","","","","","","","","","L-Leucine, N-[4-[bis(2-chloroethyl)amino]-DL-phenylalany...","","CCOC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N","OYMBDLNBTYXPKH-UHFFFAOYSA-N","429865",NA,"PDBC37780","266068","Present"
-"L-Leucine,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl]bis(methyene) ester, dihydrochloride, (L,L)","","","","","","","","","","","","","","","","","","","","L-Leucine, [tetradecahydro-1,3,5,7-tetraoxo-4,8- ethenop...","","CC(C)CC(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)COC(=O)C(CC(C)C)N)N.Cl","QHOXBDOAVDSMEF-UHFFFAOYSA-N","54600783",NA,"PDBC37781","380340","Present"
-"L-Lysinamide,3-benzothiazol-2-yl)phenyl-2-chlorophenyl]-,dihydrochloride","","","","","","","","","","","","","","","","","","","","L-Lysinamide, N-[4-(1,3-benzothiazol-2-yl)phenyl-2-chlor...","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)NC(=O)C(CCCCN)N)Cl.Cl","LJXYXZRMYDJCDQ-UQKRIMTDSA-N","396810",NA,"PDBC37782","703784","Present"
-"L-Lysine,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]amide, trihydrobromide","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 5-amino-6,8-difluoro- 2-[3-fluoro...","","CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)C(CCCCN)N)F)N)F.Br","NXHWPWWZVCZWHC-ZOWNYOTGSA-N","396363",NA,"PDBC37783","702295","Present"
-"L-Norleucine, N-acetyl-6-diazo-5-oxo","","","","","","","","","","","","","","","","","","","","acetyl-don","","CC(=O)NC(CCC(=O)C=[N+]=N)C(=O)O","FCXJUAROUBYGCC-UHFFFAOYSA-O","6332145",NA,"PDBC37784","51097","Present"
-"L-Proline,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl)bis(methylene) ester, dihydrochloride","","","","","","","","","","","","","","","","","","","","L-Proline, (1,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,...","","C1CC(NC1)C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C7CCCN7.Cl","AOHGHVCAVNNRHY-UHFFFAOYSA-N","54607962",NA,"PDBC37785","379687","Present"
-"L-Serine, diazoacetate","","","","","","","","","","","","","","","","","","","","NSC742","","C(C(C(=O)O)N)OC(=O)C=[N+]=N","LMTILILZEHPNAP-UHFFFAOYSA-O","6331826",NA,"PDBC37786","742","Present"
-"L-Thymidine","","","","","","","","","","","","","","","","","","","","dthyd","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O","IQFYYKKMVGJFEH-UHFFFAOYSA-N","1134",NA,"PDBC37787","21548","Present"
-"L-Tryptophan,","","","","","","","","","","","","","","","","","","","","Phosphoramidon","","CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O.[Na+]","IFGCUJZIWBUILZ-UHFFFAOYSA-N","54608559",NA,"PDBC37788","694280","Present"
-"L-Valilo-D-isoglutamylo-L-lizylo-N-gamma-propylamino-N[4'nitroacridone-9'(10)], dihydrochloride","","","","","","","","","","","","","","","","","","","","L-valilo-D-isoglutamylo-L-lizylo-N-.gamma.-propylamino-N...","","CC(C)C(C(=O)NC(CCC(=O)NCCCCC(C(=O)NCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)N)C(=O)N)N.Cl","YDBPFUVDALYRHT-UHFFFAOYSA-N","54608849",NA,"PDBC37789","700254","Present"
-"L-Valine,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,6,7,8,9,11a,12,13,14,14a-decahydro-13-hydroxy-6-methyl-4-oxo-1H-cyclopent[f]oxacyclotridecin-1-yl ester, hydrochloride","","","","","","","","","","","","","","","","","","","","L-Valine, N,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,...","","CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)OC(=O)C(C(C)C)N(C)C)O.Cl","KGJLAKCYINPKMC-VJZMYGOLSA-N","45028995",NA,"PDBC37790","745102","Present"
-"L011EE8UO5","","","","","","","","","","","","","","","","","","","","L011EE8UO5","","C1=CC2=NC3=C(C4=C(C(=S)C=C(S4)S)C(=S)S3)C(=S)N2C=C1","NIHGCCMMYBPCPG-UHFFFAOYSA-N","334396",NA,"PDBC37791","339490","Present"
-"L7TQ61M79K","","","","","","","","","","","","","","","","","","","","L7TQ61M79K","","COC1=CC(=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC","LOAHVXHQGIBIKC-UHFFFAOYSA-N","251113",NA,"PDBC37792","71301","Present"
-"LAC 4D12","","","","","","","","","","","","","","","","","","","","LAC 4D12","","","","",NA,"PDBC37793","636209","Present"
-"LAC 4E9","","","","","","","","","","","","","","","","","","","","LAC 4E9","","","","",NA,"PDBC37794","636210","Present"
-"LAIIQUYDEOMYCZ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LAIIQUYDEOMYCZ-UHFFFAOYSA-N","","C1CC2=C(C(=O)C1)C(=CC(=O)N2)CC(=O)O","LAIIQUYDEOMYCZ-UHFFFAOYSA-N","363120",NA,"PDBC37795","627688","Present"
-"LAM 1C3","","","","","","","","","","","","","","","","","","","","LAM 1C3","","","","",NA,"PDBC37796","636191","Present"
-"LAM 2E3","","","","","","","","","","","","","","","","","","","","LAM 2E3","","","","",NA,"PDBC37797","636192","Present"
-"LAM 5A6","","","","","","","","","","","","","","","","","","","","LAM 5A6","","","","",NA,"PDBC37798","636193","Present"
-"LCTA 2290","","","","","","","","","","","","","","","","","","","LCTA 2290","","","","","",NA,"PDBC37799","","Absent"
-"LCTA 2305","","","","","","","","","","","","","","","","","","","LCTA 2305","","","","","",NA,"PDBC37800","","Absent"
-"LDHA Inhibitor-33","","","","","","","","","","","","","","","","","","","","LDHA Inhibitor-33","","CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC(=O)CCCC3=CC=C(C=C3)CC(C(=O)O)C(=O)O","SGFJAJFBGVAOFW-UHFFFAOYSA-N","56844254",NA,"PDBC37801","773174","Present"
-"LDHA inhibitor 35","","","","","","","","","","","","","","","","","","","","LDHA Cmp 35","","CCOC(=O)C(CC1=CC=C(C=C1)CCCC(=O)NCCC(=O)NC2=CC3=C(C=C2)N=C(S3)C)C(=O)OCC","ZUUSGQVSBQWPNR-UHFFFAOYSA-N","57387797",NA,"PDBC37802","775018","Present"
-"LDN-193189 monohydrochloride","","","","","","","","","","","","","","","","","","","","LDN-193189 HCl","","C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3.Cl","PCCDKTWDGDFRME-UHFFFAOYSA-N","54613581",NA,"PDBC37803","747884","Present"
-"LDN-211904","","","","","","","","","","","","","","","","","","","","LDN-211904","","C1CNCCC1C2=CN3C(=NC=C3C(=O)NC4=CC=CC=C4Cl)C=C2","DGSMEFWSLXFLQA-UHFFFAOYSA-N","46175113",NA,"PDBC37804","751644","Present"
-"LDPBGLLGEPOPJT-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LDPBGLLGEPOPJT-UHFFFAOYSA-N","","CC1=NC2=C(N1CCCl)C(=O)C3=CC=CC=C3C2=O","LDPBGLLGEPOPJT-UHFFFAOYSA-N","377402",NA,"PDBC37805","658845","Present"
-"LDTTXRCXIMXYEV-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LDTTXRCXIMXYEV-UHFFFAOYSA-N","","CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5C3=O","LDTTXRCXIMXYEV-UHFFFAOYSA-N","384116",NA,"PDBC37806","673345","Present"
-"LEQ-506","","","","","","","","","","","","","","","","","","","","LEQ-506","","CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5)O","KSWYJUIFHPSZOL-UHFFFAOYSA-N","24905375",NA,"PDBC37807","767126","Present"
-"LFCXOXKKNZBHGK-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LFCXOXKKNZBHGK-UHFFFAOYSA-N","","C1=CC=C2C=C3C(=CC2=C1)C(=O)SC4=CC5=CC=CC=C5C=C4C(=O)S3","LFCXOXKKNZBHGK-UHFFFAOYSA-N","397765",NA,"PDBC37808","706188","Present"
-"LFZ99C4WE7","","","","","","","","","","","","","","","","","","","","LFZ99C4WE7","","C1CCC(C1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=N4)N","CHQGTTKOFFXHJB-UHFFFAOYSA-N","246464",NA,"PDBC37809","59486","Present"
-"LHC-165","","","","","","","","","","","","","","","","","","","","LHC-165","","CC1=C(C=CC(=C1)OCCOCCC(F)(F)P(=O)(O)O)CCC2=CC3=C4C=CC(=CC4=NC(=C3N=C2)N)CCC(=O)O","SDLWKRZBLTZSEL-UHFFFAOYSA-N","49838259",NA,"PDBC37810","819211","Present"
-"LIDFMCQHNCWISF-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LIDFMCQHNCWISF-UHFFFAOYSA-N","","C1OC2=CC3=CC(=C4C=CC(=CC4=C3C=C2O1)OCC5=CC=CC=C5)CNCCCCCC(=O)O","LIDFMCQHNCWISF-UHFFFAOYSA-N","24205686",NA,"PDBC37811","736382","Present"
-"LL-D49194alpha1","","","","","","","","","","","","","","","","","","","","ll-d49194 alpha 1","","CC1C(C(CC(O1)OC2C(OC(CC2(C)O)OC(C34C5(CO5)C6(C(O3)C(O4)C7=C(O6)C8=C(C=C7C)C(=C9C(CC(C(=O)C9=C8O)O)OC1CC(C(C(O1)C)OC(=O)C)(C)O)OC)OC)OC)C)(C)O)O","FZSZABYRGYFXRS-UHFFFAOYSA-N","127410",NA,"PDBC37812","381856","Present"
-"LLW15","","","","","","","","","","","","","","","","","","","","LLW15","","CC1CCCCN1CCCN2C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)NC4=CC=CC=C4C)N=C2C5=CC(=CC=C5)OC6=CC=C(C=C6)C(C)(C)C","TVFIPRJABJXUAJ-UHFFFAOYSA-N","45256728",NA,"PDBC37813","752779","Present"
-"LMP-744 hydrochloride","","","","","","","","","","","","","","","","","","","","NSC706744","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC.Cl","POXWLZDVWCKKEX-UHFFFAOYSA-N","397887",NA,"PDBC37814","706744","Present"
-"LMPK12113335","","","","","","","","","","","","","","","","","","","","LMPK12113335","","COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O","DEQJJTUOVGHXHW-UHFFFAOYSA-N","5386959",NA,"PDBC37815","618930","Present"
-"LMU-3 HERZ","","","","","","","","","","","","","","","","","","","","LMU-3 HERZ","","CC(=CCOC(=O)C)C(=O)OC1CC2(C(O2)C=CC(=CC3C1C(=C)C(=O)O3)CO)C","FHAOJCKOQIDTRQ-WDJNLLAESA-N","5477755",NA,"PDBC37816","354049","Present"
-"LNZYJVLBKAJRTB-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LNZYJVLBKAJRTB-UHFFFAOYSA-N","","COC1=C(C=C2C(=C1)CCC(C2=O)Br)OC","LNZYJVLBKAJRTB-UHFFFAOYSA-N","324518",NA,"PDBC37817","290424","Present"
-"LOXXNDWJQQDZNI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LOXXNDWJQQDZNI-UHFFFAOYSA-N","","CC1(C2CCC1(C(C23OCCO3)OCC(C)(C)C)C)C","LOXXNDWJQQDZNI-UHFFFAOYSA-N","394163",NA,"PDBC37818","697399","Present"
-"LPAMGKMXPWSRIP-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LPAMGKMXPWSRIP-UHFFFAOYSA-N","","C1=CC(=CC(=C1)CN2C(=O)NNC2=O)CN3C(=O)NNC3=O","LPAMGKMXPWSRIP-UHFFFAOYSA-N","392325",NA,"PDBC37819","692601","Present"
-"LPMATLYZOMJOIQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LPMATLYZOMJOIQ-UHFFFAOYSA-N","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F","LPMATLYZOMJOIQ-UHFFFAOYSA-N","384769",NA,"PDBC37820","675205","Present"
-"LQCTTXATDYUYKR-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LQCTTXATDYUYKR-UHFFFAOYSA-N","","CCOC(=O)C(=O)NCCCN1CCOCC1","LQCTTXATDYUYKR-UHFFFAOYSA-N","366851",NA,"PDBC37821","635828","Present"
-"LQYJQRDMSDGONO-UHFFFAOYSA-","","","","","","","","","","","","","","","","","","","","LQYJQRDMSDGONO-UHFFFAOYSA-","","C1CO[Si]2(OCCN1CCO2)C(Cl)Cl","LQYJQRDMSDGONO-UHFFFAOYSA-N","362522",NA,"PDBC37822","626546","Present"
-"LS-100064","","","","","","","","","","","","","","","","","","","","LS-100064","","C1CCN(CC1)CC2CN=C(O2)N","XEIDVARRTALSIU-UHFFFAOYSA-N","385578",NA,"PDBC37823","676871","Present"
-"LS-100069","","","","","","","","","","","","","","","","","","","","LS-100069","","C1CCN(C1)CC2CN=C(O2)N","QDQBSPVYYOIHQU-UHFFFAOYSA-N","387534",NA,"PDBC37824","681444","Present"
-"LS-100206","","","","","","","","","","","","","","","","","","","","LS-100206","","CCN(CC)CC1CN=C(O1)N","HDKUYXCATUXZQK-UHFFFAOYSA-N","395856",NA,"PDBC37825","700859","Present"
-"LS-100736","","","","","","","","","","","","","","","","","","","","LS-100736","","CC(C)OC1=CC=C(C2=CC=CC=C21)CNC3=NCCO3","PAXDSHJDFGCEQX-UHFFFAOYSA-N","379566",NA,"PDBC37826","664251","Present"
-"LS-100910","","","","","","","","","","","","","","","","","","","","LS-100910","","COC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=CC=N4)OC3=O","ZRAAFBZDDVUGQP-UHFFFAOYSA-N","382816",NA,"PDBC37827","670553","Present"
-"LS-100914","","","","","","","","","","","","","","","","","","","","LS-100914","","C1CN(CCN1CCN2C3=C(C=CC=N3)OC2=O)C4=CC=C(C=C4)OC5=CC=CC=C5","VCEPZHQCTXYJBF-UHFFFAOYSA-N","382817",NA,"PDBC37828","670554","Present"
-"LS-102306","","","","","","","","","","","","","","","","","","","","LS-102306","","CC#CC(C(C)C)(C(=O)OC1CCN(CC1)C)O","DKHYPPULAXLVIE-UHFFFAOYSA-N","380282",NA,"PDBC37829","665762","Present"
-"LS-102309","","","","","","","","","","","","","","","","","","","","LS-102309","","CC#CC(C#CC)(C(=O)OC1CN2CCC1CC2)O","PSNXEMLZSUPRKP-UHFFFAOYSA-N","380303",NA,"PDBC37830","665784","Present"
-"LS-10234","","","","","","","","","","","","","","","","","","","","LS-10234","","CC(=O)NC1=CC2=C3C(=C1)CCCN3CCC2","HDMRNHVZGBSKQV-UHFFFAOYSA-N","379438",NA,"PDBC37831","663985","Present"
-"LS-104826","","","","","","","","","","","","","","","","","","","","LS-104826","","CC(CC1=CC=CC=C1O)NC.Cl","DOARZSIFJRHEMQ-UHFFFAOYSA-N","3046233",NA,"PDBC37832","78118","Present"
-"LS-110286","","","","","","","","","","","","","","","","","","","","LS-110286","","CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=NC=C3)N","YJLBBOCNMHAPTM-UHFFFAOYSA-N","98551",NA,"PDBC37833","147866","Present"
-"LS-111502","","","","","","","","","","","","","","","","","","","","LS-111502","","C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl","VAQACFCOJXBJFH-UHFFFAOYSA-N","386371",NA,"PDBC37834","678255","Present"
-"LS-11164","","","","","","","","","","","","","","","","","","","","LS-11164","","COC(=O)C=C1C(=O)C(=C(O1)C2=CC=CC=C2)Br","IWMAYAIGAOIURN-VQHVLOKHSA-N","5468709",NA,"PDBC37835","674914","Present"
-"LS-11306","","","","","","","","","","","","","","","","","","","","LS-11306","","COC1=CC=C(C=C1)C2=C(C(=O)C(=CC(=O)OC)O2)Cl","SLDQNGPWFHMXHZ-JXMROGBWSA-N","5468860",NA,"PDBC37836","677937","Present"
-"LS-11322","","","","","","","","","","","","","","","","","","","","LS-11322","","CC1=CC=C(C=C1)C2=C(C(=O)C(=CC(=O)OC)O2)Cl","IDLLDXHXWHEWIC-JXMROGBWSA-N","5468858",NA,"PDBC37837","677935","Present"
-"LS-113874","","","","","","","","","","","","","","","","","","","","LS-113874","","C1CCN(CC1)N=CC2=CSC(=N2)C3=CC=C(O3)[N+](=O)[O-]","QUWXPAMGCZPVGI-RIYZIHGNSA-N","9568051",NA,"PDBC37838","304379","Present"
-"LS-114726","","","","","","","","","","","","","","","","","","","","LS-114726","","CN1CCC(CC1)(C(=O)OC)OC(=O)SC2=CC=CC=C2","AFEAKHPNRXBSOT-UHFFFAOYSA-N","380347",NA,"PDBC37839","665872","Present"
-"LS-120189","","","","","","","","","","","","","","","","","","","","LS-120189","","CCCCCC(CO)C(C(F)(F)F)(C(F)(F)F)O","QJDIZDFXELTMDN-UHFFFAOYSA-N","215056",NA,"PDBC37840","659266","Present"
-"LS-120557","","","","","","","","","","","","","","","","","","","","LS-120557","","COC1=CC=CC=C1OCC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3","XQKVKEPGAZLAQW-UHFFFAOYSA-N","366853",NA,"PDBC37841","635832","Present"
-"LS-120604","","","","","","","","","","","","","","","","","","","","LS-120604","","CC1=CC=CC=C1OCC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3","YHAXHQQDFSXBAM-UHFFFAOYSA-N","366847",NA,"PDBC37842","635824","Present"
-"LS-123342","","","","","","","","","","","","","","","","","","","","LS-123342","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=CC3=CC=CC=C3)C#N","GNWOEFVKNCEIJB-UKTHLTGXSA-N","5469111",NA,"PDBC37843","683328","Present"
-"LS-123344","","","","","","","","","","","","","","","","","","","","LS-123344","","C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NN=C(O2)C3=CC=CC=C3","STEGJXCAMOUJQP-RVDMUPIBSA-N","5469110",NA,"PDBC37844","683327","Present"
-"LS-123810","","","","","","","","","","","","","","","","","","","","LS-123810","","C1=CC=C2C(=C1)NC(=N2)C(=O)C=CC3=CC=C(C=C3)Cl","VLOYJJMQBUMMMP-JXMROGBWSA-N","5472116",NA,"PDBC37845","716333","Present"
-"LS-123812","","","","","","","","","","","","","","","","","","","","LS-123812","","COC1=CC=C(C=C1)C=CC(=O)C2=NC3=CC=CC=C3N2","QSCCDAGMEXKGHL-DHZHZOJOSA-N","5469980",NA,"PDBC37846","695163","Present"
-"LS-124321","","","","","","","","","","","","","","","","","","","","LS-124321","","CCN(CC)CCN(C1=CC=CC=C1N)C(=O)C(C)(C)C","XVUYYYAZLXXVKG-UHFFFAOYSA-N","377574",NA,"PDBC37847","659140","Present"
-"LS-12493","","","","","","","","","","","","","","","","","","","","LS-12493","","CC1=C(OC(=CC(=O)OC)C1=O)C2=CC=CC=C2","AVZXCWLODRSIHQ-DHZHZOJOSA-N","5468708",NA,"PDBC37848","674913","Present"
-"LS-126487","","","","","","","","","","","","","","","","","","","","LS-126487","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)NC=N3","UKXZJACHRNBQRO-UHFFFAOYSA-N","5466207",NA,"PDBC37849","681704","Present"
-"LS-126491","","","","","","","","","","","","","","","","","","","","LS-126491","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)SC)NC=N3","KZOFMVLEQMEJEU-UHFFFAOYSA-N","389513",NA,"PDBC37850","685803","Present"
-"LS-126875","","","","","","","","","","","","","","","","","","","","LS-126875","","CCC(CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C","GPEWINMGNPPOCM-UHFFFAOYSA-N","363687",NA,"PDBC37851","628804","Present"
-"LS-127178","","","","","","","","","","","","","","","","","","","","LS-127178","","CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N=CN3","JWQSQZFFXQPOJJ-UHFFFAOYSA-N","3005246",NA,"PDBC37852","685805","Present"
-"LS-127179","","","","","","","","","","","","","","","","","","","","LS-127179","","CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N(C=N3)COCCO","KEJWNJZGGLXQHF-UHFFFAOYSA-N","3005202",NA,"PDBC37853","681698","Present"
-"LS-127219","","","","","","","","","","","","","","","","","","","","LS-127219","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3COCCO","FTTOTLVQWYDVIL-UHFFFAOYSA-N","135444900",NA,"PDBC37854","681701","Present"
-"LS-127607","","","","","","","","","","","","","","","","","","","","LS-127607","","C1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=CC=C3)C4=NC=CN=C4)C5=NC=CN=C5","CGJZBSYAHBECPN-UHFFFAOYSA-N","374033",NA,"PDBC37855","651212","Present"
-"LS-127792","","","","","","","","","","","","","","","","","","","","LS-127792","","CN1CC2C3=CC=CN3C4=CC=CC=C4CN2C(=O)C1","ICHXNRGFPUJMOV-UHFFFAOYSA-N","363940",NA,"PDBC37856","629460","Present"
-"LS-127972","","","","","","","","","","","","","","","","","","","","LS-127972","","CC(C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)C(=O)O","CYELEOGKEPKXLS-UHFFFAOYSA-N","362811",NA,"PDBC37857","627125","Present"
-"LS-12875","","","","","","","","","","","","","","","","","","","","LS-12875","","CC(=O)SC(C[N+](=O)[O-])C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC","CHFGMZYYHGFBSB-UHFFFAOYSA-N","59622",NA,"PDBC37858","664263","Present"
-"LS-128970","","","","","","","","","","","","","","","","","","","","LS-128970","","CC1=NN(C2=C1N=C(CC(=N2)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4","UWRABIHLAXIDEG-UHFFFAOYSA-N","378932",NA,"PDBC37859","662440","Present"
-"LS-128971","","","","","","","","","","","","","","","","","","","","LS-128971","","CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C4=CC=CC=C4)C)N=C(C2)C(=O)O","NXOMBDBHTBVAQK-UHFFFAOYSA-N","378936",NA,"PDBC37860","662444","Present"
-"LS-128972","","","","","","","","","","","","","","","","","","","","LS-128972","","CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C4=CC=CC=C4)C)N=C(C2)C(=O)OC","NMNOSPOHOSXIMN-UHFFFAOYSA-N","378933",NA,"PDBC37861","662441","Present"
-"LS-129000","","","","","","","","","","","","","","","","","","","","LS-129000","","CC1=C(NN(C1=O)C2=NCCN2)C3=CC=CC=C3","XSEXQMKNKLIOHQ-UHFFFAOYSA-N","388452",NA,"PDBC37862","683379","Present"
-"LS-129066","","","","","","","","","","","","","","","","","","","","LS-129066","","CC1=NN(C(=O)C1)C2=NS(=O)(=O)C3=CC=CC=C3N2C","CBAOOIHDULCEBQ-UHFFFAOYSA-N","341522",NA,"PDBC37863","373871","Present"
-"LS-129355","","","","","","","","","","","","","","","","","","","","LS-129355","","C1=CC(=CC=C1C2=CSC3=NC4=C(C=NN4)C(=S)N23)Cl","JJRAETHZTYXMNJ-UHFFFAOYSA-N","3005065",NA,"PDBC37864","669950","Present"
-"LS-129361","","","","","","","","","","","","","","","","","","","","LS-129361","","C1=CC(=CC=C1C2=CSC3=NC4=C(C=NN4)C(=O)N23)Cl","SZUOUFXDFQIXDE-UHFFFAOYSA-N","382391",NA,"PDBC37865","669949","Present"
-"LS-129365","","","","","","","","","","","","","","","","","","","","LS-129365","","CC1=CSC2=NC3=C(C=NN3)C(=O)N12","XNIFRFGBXNTKSI-UHFFFAOYSA-N","382390",NA,"PDBC37866","669948","Present"
-"LS-129409","","","","","","","","","","","","","","","","","","","","LS-129409","","COC1=CC=C(C=C1)N2C=NN3C2=NC4=C(C3=O)C=NN4","XSUAKXJENOJVNQ-UHFFFAOYSA-N","377463",NA,"PDBC37867","658920","Present"
-"LS-129625","","","","","","","","","","","","","","","","","","","","LS-129625","","CN1C(=O)C2=C(C=N1)S(=O)(=O)C3=CC=CC=C3N2","YKNVKHAYVZQLNM-UHFFFAOYSA-N","369523",NA,"PDBC37868","641378","Present"
-"LS-132105","","","","","","","","","","","","","","","","","","","","LS-132105","","CCN(CC)CCNC1=C(C(=C(C(=N1)N)C#N)C#N)C#N","VJGHTKIODVOMJN-UHFFFAOYSA-N","267532",NA,"PDBC37869","106873","Present"
-"LS-132106","","","","","","","","","","","","","","","","","","","","LS-132106","","CN(C)C1=C(C(=C(C(=N1)N)C#N)C#N)C#N","NZBSPFRVUFSZJU-UHFFFAOYSA-N","265404",NA,"PDBC37870","101337","Present"
-"LS-132109","","","","","","","","","","","","","","","","","","","","LS-132109","","CN(C1=C(C(=C(C(=N1)N)C#N)C#N)C#N)OC","WXKUOSCGHLKUGU-UHFFFAOYSA-N","379201",NA,"PDBC37871","663613","Present"
-"LS-132110","","","","","","","","","","","","","","","","","","","","LS-132110","","COCCCNC1=C(C(=C(C(=N1)N)C#N)C#N)C#N","IPXPYYWXAZZTMO-UHFFFAOYSA-N","379207",NA,"PDBC37872","663618","Present"
-"LS-133383","","","","","","","","","","","","","","","","","","","","LS-133383","","C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=NC=C5)C6=CC=CC=C6N4","OIROQHWNXZSXST-UHFFFAOYSA-N","364738",NA,"PDBC37873","631407","Present"
-"LS-133523","","","","","","","","","","","","","","","","","","","","LS-133523","","CCN(CC)CCN1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","ZLBQRZFRWCJAPS-UHFFFAOYSA-N","365599",NA,"PDBC37874","633400","Present"
-"LS-133524","","","","","","","","","","","","","","","","","","","","LS-133524","","CN(C)CCN1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","HPWNAQYMZWECFY-UHFFFAOYSA-N","365598",NA,"PDBC37875","633399","Present"
-"LS-133531","","","","","","","","","","","","","","","","","","","","LS-133531","","C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=CO4","CNWBTQXHKWLFIJ-UHFFFAOYSA-N","148507",NA,"PDBC37876","667453","Present"
-"LS-133590","","","","","","","","","","","","","","","","","","","","LS-133590","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN(CC5=CC=CC=C5)CC6=CC=CC=C6","DGCBXFMNTWSXAW-UHFFFAOYSA-N","365594",NA,"PDBC37877","633395","Present"
-"LS-133613","","","","","","","","","","","","","","","","","","","","LS-133613","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN5CCN(CC5)C6=CC(=CC=C6)Cl","SYPKBQIMDNYPFL-UHFFFAOYSA-N","365597",NA,"PDBC37878","633398","Present"
-"LS-133614","","","","","","","","","","","","","","","","","","","","LS-133614","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCN5CCN(CC5)C6=CC(=CC=C6)Cl","NNFQREQCAICLQH-UHFFFAOYSA-N","365602",NA,"PDBC37879","633403","Present"
-"LS-133615","","","","","","","","","","","","","","","","","","","","LS-133615","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CCN5CCN(CC5)C6=CC(=CC=C6)Cl","WBNHOLRZSALXBA-UHFFFAOYSA-N","365607",NA,"PDBC37880","633408","Present"
-"LS-133616","","","","","","","","","","","","","","","","","","","","LS-133616","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCCN5CCN(CC5)C6=CC(=CC=C6)Cl","SWRGZBWFGHMEOU-UHFFFAOYSA-N","365612",NA,"PDBC37881","633413","Present"
-"LS-133618","","","","","","","","","","","","","","","","","","","","LS-133618","","CCN(CC)CC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","CJPWNBNMOISVOL-UHFFFAOYSA-N","365593",NA,"PDBC37882","633394","Present"
-"LS-133620","","","","","","","","","","","","","","","","","","","","LS-133620","","CCN(CC)CCC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","ONNLRBDNEMAAHA-UHFFFAOYSA-N","365604",NA,"PDBC37883","633405","Present"
-"LS-133621","","","","","","","","","","","","","","","","","","","","LS-133621","","CCN(CC)CCCN1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","IGEVBTTXDGYSKM-UHFFFAOYSA-N","365609",NA,"PDBC37884","633410","Present"
-"LS-133627","","","","","","","","","","","","","","","","","","","","LS-133627","","CN(C)CC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","OQEJZBLFDQHTFB-UHFFFAOYSA-N","365592",NA,"PDBC37885","633393","Present"
-"LS-133633","","","","","","","","","","","","","","","","","","","","LS-133633","","CN(C)CCC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","YZJNMSAVSZFSRX-UHFFFAOYSA-N","365603",NA,"PDBC37886","633404","Present"
-"LS-133639","","","","","","","","","","","","","","","","","","","","LS-133639","","CN(C)CCCN1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","POIIFAYEOXYHOF-UHFFFAOYSA-N","365608",NA,"PDBC37887","633409","Present"
-"LS-133728","","","","","","","","","","","","","","","","","","","","LS-133728","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CCN5CCN(CC5)C6=CC=CC=C6","YPDZCOXYCXOQOH-UHFFFAOYSA-N","365606",NA,"PDBC37888","633407","Present"
-"LS-133733","","","","","","","","","","","","","","","","","","","","LS-133733","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN5CCN(CC5)C6=CC=CC=C6","LDUINWUBBPJMRQ-UHFFFAOYSA-N","365596",NA,"PDBC37889","633397","Present"
-"LS-133734","","","","","","","","","","","","","","","","","","","","LS-133734","","C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCCN5CCN(CC5)C6=CC=CC=C6","DBYIMKGTQOEJFO-UHFFFAOYSA-N","365611",NA,"PDBC37890","633412","Present"
-"LS-133739","","","","","","","","","","","","","","","","","","","","LS-133739","","C1CCN(CC1)CCN2CCC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35","DERUGECTQBSXDP-UHFFFAOYSA-N","365600",NA,"PDBC37891","633401","Present"
-"LS-133740","","","","","","","","","","","","","","","","","","","","LS-133740","","C1CCN(CC1)CCCN2CCC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35","FOJAESRSRCGLSK-UHFFFAOYSA-N","365610",NA,"PDBC37892","633411","Present"
-"LS-133802","","","","","","","","","","","","","","","","","","","","LS-133802","","CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=CC(=CC=C5)Cl","ZRYZUZQDKWTLMK-UHFFFAOYSA-N","365674",NA,"PDBC37893","633527","Present"
-"LS-133803","","","","","","","","","","","","","","","","","","","","LS-133803","","CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCN(CC4)C5=CC(=CC=C5)Cl","ZXDMGMNETBRKMC-UHFFFAOYSA-N","365678",NA,"PDBC37894","633531","Present"
-"LS-133804","","","","","","","","","","","","","","","","","","","","LS-133804","","CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCN4CCN(CC4)C5=CC(=CC=C5)Cl","MEBBQRYKQJOYQS-UHFFFAOYSA-N","365672",NA,"PDBC37895","633525","Present"
-"LS-133809","","","","","","","","","","","","","","","","","","","","LS-133809","","CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCN4CCN(CC4)C5=CC=CC=C5","BTPVVTGVKFFPPJ-UHFFFAOYSA-N","365671",NA,"PDBC37896","633524","Present"
-"LS-134106","","","","","","","","","","","","","","","","","","","","LS-134106","","CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCCN4CCN(CC4)C5=CC=CC=C5","CEIALHUCRRVMCS-UHFFFAOYSA-N","388430",NA,"PDBC37897","683339","Present"
-"LS-134109","","","","","","","","","","","","","","","","","","","","LS-134109","","CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCCN4CCN(CC4)C5=NC=CC=N5","GIOYYUIAQGOYMQ-UHFFFAOYSA-N","388431",NA,"PDBC37898","683340","Present"
-"LS-134826","","","","","","","","","","","","","","","","","","","","LS-134826","","C1CCC(CC1)NC(=O)C2=C(C(=O)NC(=O)N2)NC(=O)C3=CC=C(C=C3)Cl","FEWQWUFOYTYZAO-UHFFFAOYSA-N","361707",NA,"PDBC37899","624948","Present"
-"LS-135899","","","","","","","","","","","","","","","","","","","","LS-135899","","CC1=C(C(=O)N(N1)C2=NC(=C(C(=O)N2)C3=CC=CC=C3)O)CCO","GFDUDSYUKFHLEV-UHFFFAOYSA-N","387164",NA,"PDBC37900","680678","Present"
-"LS-135982","","","","","","","","","","","","","","","","","","","","LS-135982","","CC1=CC=CC=C1N2C(=NC(=CC2=O)C3=CC=CC=C3)C","SVOGRFBWKYBSSN-UHFFFAOYSA-N","120573",NA,"PDBC37901","632909","Present"
-"LS-138084","","","","","","","","","","","","","","","","","","","","LS-138084","","C1CCN(C1)C(=O)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4","XQQKZHKJJACIRO-UHFFFAOYSA-N","381975",NA,"PDBC37902","669285","Present"
-"LS-139167","","","","","","","","","","","","","","","","","","","","LS-139167","","C1CC2(NC3=C(N2C1=O)C=CC(=C3)Cl)C4=CC=CC=C4","OTSBQNHXOLZAND-UHFFFAOYSA-N","368713",NA,"PDBC37903","639850","Present"
-"LS-140543","","","","","","","","","","","","","","","","","","","","LS-140543","","CCC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=C(C=C3)N(C)C)N=NC4=CC=C(C=C4)Cl","CKWUIGZKSXOBKG-CBTWDDLFSA-N","9569853",NA,"PDBC37904","622361","Present"
-"LS-140544","","","","","","","","","","","","","","","","","","","","LS-140544","","CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=C(C=C3)N(C)C)N=NC4=CC=C(C=C4)Cl","CYZUKIJJEHHLMN-XEPJHKIBSA-N","9569850",NA,"PDBC37905","622358","Present"
-"LS-140545","","","","","","","","","","","","","","","","","","","","LS-140545","","CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC(=C3)C4=CC=CO4)N=NC5=CC=C(C=C5)Cl","KAVKTROKNWCJPQ-VKGWNBKZSA-N","9569848",NA,"PDBC37906","622356","Present"
-"LS-140546","","","","","","","","","","","","","","","","","","","","LS-140546","","CCC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl","UMTVPRCWTCIJFA-ZZSBHYMWSA-N","9569851",NA,"PDBC37907","622359","Present"
-"LS-140547","","","","","","","","","","","","","","","","","","","","LS-140547","","CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3)N=NC4=CC=CC=C4Cl","UOXGCYUEQZNOIU-OBWOFCCJSA-N","9569842",NA,"PDBC37908","622350","Present"
-"LS-140549","","","","","","","","","","","","","","","","","","","","LS-140549","","CCC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3Cl)N=NC4=CC=C(C=C4)Cl","OXBHMCOIWFQAOI-STFICJARSA-N","9569852",NA,"PDBC37909","622360","Present"
-"LS-140550","","","","","","","","","","","","","","","","","","","","LS-140550","","CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3Cl)N=NC4=CC=CC=C4Cl","PFEICYROMYNSQH-PARUYMKBSA-N","9569846",NA,"PDBC37910","622354","Present"
-"LS-140551","","","","","","","","","","","","","","","","","","","","LS-140551","","CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3Cl)N=NC4=CC(=CC=C4)Cl","DWTIRLMTTIEVBS-PARUYMKBSA-N","9569845",NA,"PDBC37911","622353","Present"
-"LS-140589","","","","","","","","","","","","","","","","","","","","LS-140589","","C1=CC=C2C(=C1)C(=O)N(C(=N2)CC(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl","MIIHIYMYKNAPCK-UHFFFAOYSA-N","63835",NA,"PDBC37912","632911","Present"
-"LS-140593","","","","","","","","","","","","","","","","","","","","LS-140593","","CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3Cl)N=NC4=CC=CC=C4","FQFRJVBDORJDDS-OBWOFCCJSA-N","9569844",NA,"PDBC37913","622352","Present"
-"LS-140670","","","","","","","","","","","","","","","","","","","","LS-140670","","CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=C(C=C3)N(C)C)N=NC4=C(C=CC(=C4)Cl)Cl","NVIXSZFROZSILN-QZTXZMLOSA-N","9569849",NA,"PDBC37914","622357","Present"
-"LS-140671","","","","","","","","","","","","","","","","","","","","LS-140671","","CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC(=C3)C4=CC=CO4)N=NC5=C(C=CC(=C5)Cl)Cl","GKNXBNHHZYQSCO-KFIRMQKPSA-N","9569847",NA,"PDBC37915","622355","Present"
-"LS-140672","","","","","","","","","","","","","","","","","","","","LS-140672","","CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3)N=NC4=C(C=CC(=C4)Cl)Cl","YTGGRSMFHXTHKG-PARUYMKBSA-N","9569843",NA,"PDBC37916","622351","Present"
-"LS-141501","","","","","","","","","","","","","","","","","","","","LS-141501","","CCOC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)Cl)C3=CC=CC=C3","QUHKURDECUBSLN-UHFFFAOYSA-N","379805",NA,"PDBC37917","664905","Present"
-"LS-141937","","","","","","","","","","","","","","","","","","","","LS-141937","","CN(C)C1=CC2=C(C=C1)N=C(C=C2)CC(C(F)(F)F)(C(F)(F)F)O","AWILFNKHRQWBNJ-UHFFFAOYSA-N","293516",NA,"PDBC37918","160147","Present"
-"LS-142943","","","","","","","","","","","","","","","","","","","","LS-142943","","C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=CC3=N2)C(=O)NC5=C(C=C(C=C5)Cl)Cl","FTVSDYFQWMGMNN-UHFFFAOYSA-N","379479",NA,"PDBC37919","664033","Present"
-"LS-142945","","","","","","","","","","","","","","","","","","","","LS-142945","","CNC(=O)C1=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C41","OUGDIUVHUGTHEK-UHFFFAOYSA-N","379481",NA,"PDBC37920","664035","Present"
-"LS-142949","","","","","","","","","","","","","","","","","","","","LS-142949","","CCOC(=O)C1=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C41","FJUOPBWWQZEZEY-UHFFFAOYSA-N","379480",NA,"PDBC37921","664034","Present"
-"LS-144880","","","","","","","","","","","","","","","","","","","","LS-144880","","CN(C)NC(=S)NC1=CC=CC=C1C(=O)OC","LMUKXZWJNISFSJ-UHFFFAOYSA-N","3004929",NA,"PDBC37922","663980","Present"
-"LS-144881","","","","","","","","","","","","","","","","","","","","LS-144881","","CN(C)NC(=S)NC1=CC=C(C=C1)SC","SWCJXGNMWSDMRR-UHFFFAOYSA-N","3004640",NA,"PDBC37923","659179","Present"
-"LS-150210","","","","","","","","","","","","","","","","","","","","LS-150210","","C1=CC(=CC=C1N)SC2=NN=C(S2)N","IBWMMESZFNYSHN-UHFFFAOYSA-N","116531",NA,"PDBC37924","655040","Present"
-"LS-150387","","","","","","","","","","","","","","","","","","","","LS-150387","","COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)S2","CDXZJOOBZOBFAO-UHFFFAOYSA-N","365515",NA,"PDBC37925","633203","Present"
-"LS-152534","","","","","","","","","","","","","","","","","","","","LS-152534","","CC1=C(SC2=C1C(=O)N3C(=N2)SCC(=N3)C4=CC=C(C=C4)Cl)C","SQMNQMSCIMTWAZ-UHFFFAOYSA-N","384941",NA,"PDBC37926","675764","Present"
-"LS-152535","","","","","","","","","","","","","","","","","","","","LS-152535","","CC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC(=C4C)C","AFPAYUWLXSIEPJ-UHFFFAOYSA-N","384939",NA,"PDBC37927","675762","Present"
-"LS-152538","","","","","","","","","","","","","","","","","","","","LS-152538","","CC1=C(SC2=C1C(=O)N3C(=N2)SCC(=N3)C4=CC=CC=C4)C","FQSUJQCOCNQDJY-UHFFFAOYSA-N","384938",NA,"PDBC37928","675761","Present"
-"LS-152539","","","","","","","","","","","","","","","","","","","","LS-152539","","C1C(=NN2C(=O)C3=C(N=C2S1)SC(=C3)C4=CC=CC=C4)C5=CC=CC=C5","OHFCMAKJCYLGAZ-UHFFFAOYSA-N","384942",NA,"PDBC37929","675766","Present"
-"LS-154275","","","","","","","","","","","","","","","","","","","","LS-154275","","CCOC(=O)C1=CC(=C(C=C1)C)N=NN(C)C","KBMHHFCMMQOGQK-UHFFFAOYSA-N","374075",NA,"PDBC37930","651335","Present"
-"LS-154710","","","","","","","","","","","","","","","","","","","","LS-154710","","CNC(=O)N1CN(C2(C1=O)CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4","VBYHBBXVMHIHGB-UHFFFAOYSA-N","380361",NA,"PDBC37931","665883","Present"
-"LS-154723","","","","","","","","","","","","","","","","","","","","LS-154723","","CNC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O","VQEOKXGKUMDDIL-WLHGVMLRSA-N","5468184",NA,"PDBC37932","665889","Present"
-"LS-154745","","","","","","","","","","","","","","","","","","","","LS-154745","","C=CCN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5","PHMKECRSIVMICN-UHFFFAOYSA-N","380349",NA,"PDBC37933","665874","Present"
-"LS-154749","","","","","","","","","","","","","","","","","","","","LS-154749","","CN1CN(C2(C1=O)CCN(CC2)CCC3COC4=CC=CC=C4O3)C5=CC=CC=C5","VTJGTOAUDCODNK-UHFFFAOYSA-N","380043",NA,"PDBC37934","665340","Present"
-"LS-154751","","","","","","","","","","","","","","","","","","","","LS-154751","","CCN1CN(C2(C1=O)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5","RCKWQESNRPYDDB-UHFFFAOYSA-N","380307",NA,"PDBC37935","665788","Present"
-"LS-154754","","","","","","","","","","","","","","","","","","","","LS-154754","","CN1CN(C2(C1=O)CCN(CC2)CC3=NC4=CC=CC=C4S3)C5=CC=CC=C5","KSCWQKPVPYSSJQ-UHFFFAOYSA-N","380304",NA,"PDBC37936","665786","Present"
-"LS-154755","","","","","","","","","","","","","","","","","","","","LS-154755","","CN1CN(C2(C1=O)CCN(CC2)CCC3=CSC4=CC=CC=C43)C5=CC=CC=C5","PVBDZWYNCUYEBK-UHFFFAOYSA-N","380044",NA,"PDBC37937","665341","Present"
-"LS-154756","","","","","","","","","","","","","","","","","","","","LS-154756","","CN1CN(C2(C1=O)CCN(CC2)CC3=CSC4=CC=CC=C43)C5=CC=CC=C5","BKMRLPDOTVKGIM-UHFFFAOYSA-N","380039",NA,"PDBC37938","665335","Present"
-"LS-154777","","","","","","","","","","","","","","","","","","","","LS-154777","","CCOC(CCCN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C)(C4=CC=C(C=C4)F)OCC","FJBKNVOIDNHJQL-UHFFFAOYSA-N","380348",NA,"PDBC37939","665873","Present"
-"LS-154799","","","","","","","","","","","","","","","","","","","","LS-154799","","C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCSC4=CC=C(C=C4)F","FRWHAGPZSVSWSM-UHFFFAOYSA-N","200566",NA,"PDBC37940","665713","Present"
-"LS-154815","","","","","","","","","","","","","","","","","","","","LS-154815","","CN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=CS4)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O","ZHYGZHJQHJDEGT-WLHGVMLRSA-N","5468183",NA,"PDBC37941","665888","Present"
-"LS-155333","","","","","","","","","","","","","","","","","","","","LS-155333","","C1=CC=C2C(=C1)C=CC=C2NC3=NC(=NC(=N3)Cl)Cl","DDGDKGONLRLJDM-UHFFFAOYSA-N","35300",NA,"PDBC37942","663623","Present"
-"LS-156298","","","","","","","","","","","","","","","","","","","","LS-156298","","CCCN(CCC)C1=NC2=CC=CC=C2N3C=NN=C3C1","JILYKWDWHKTCDX-UHFFFAOYSA-N","376216",NA,"PDBC37943","656783","Present"
-"LS-157120","","","","","","","","","","","","","","","","","","","","LS-157120","","C1CC2CC1C3C2=C(C3(F)F)F","QLYYIJDGWYWZHG-UHFFFAOYSA-N","379836",NA,"PDBC37944","664967","Present"
-"LS-157538","","","","","","","","","","","","","","","","","","","","LS-157538","","C1CO[Si]2(OCCN1CCO2)CNC3=CC=CC=C3","YGHSPISFNKUQEY-UHFFFAOYSA-N","123453",NA,"PDBC37945","626549","Present"
-"LS-158876","","","","","","","","","","","","","","","","","","","","LS-158876","","CNC(=O)NCCN1CC2CCC(C1)CC2","JHWADYZNWUCJJU-UHFFFAOYSA-N","377683",NA,"PDBC37946","659263","Present"
-"LS-158973","","","","","","","","","","","","","","","","","","","","LS-158973","","C1=CC=C2C(=C1)C=CC=C2NC(=O)N(CCBr)CCBr","HVUKGCFZISLAKF-UHFFFAOYSA-N","267555",NA,"PDBC37947","106907","Present"
-"LS-159771","","","","","","","","","","","","","","","","","","","","LS-159771","","CCOC(CN(C)C(=O)NC1=CC=CC2=CC=CC=C21)OCC","MURPMTLDBRULFZ-UHFFFAOYSA-N","377624",NA,"PDBC37948","659202","Present"
-"LS-159773","","","","","","","","","","","","","","","","","","","","LS-159773","","CCOC(CN(C)C(=S)NC1=CC=CC2=CC=CC=C21)OCC","IXOQSAYPBNELSM-UHFFFAOYSA-N","3004644",NA,"PDBC37949","659201","Present"
-"LS-159890","","","","","","","","","","","","","","","","","","","","LS-159890","","CN(CC(OC)OC)C(=S)NC1=CC=CC2=CC=CC=C21","UKLHYNKIFNVGIE-UHFFFAOYSA-N","3004648",NA,"PDBC37950","659265","Present"
-"LS-159994","","","","","","","","","","","","","","","","","","","","LS-159994","","CN(C)C(=O)NCCN1CCCCCC2=CC=CC=C21","QVPUGYYRZIGIOT-UHFFFAOYSA-N","379521",NA,"PDBC37951","664179","Present"
-"LS-16091","","","","","","","","","","","","","","","","","","","","LS-16091","","CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N=NN(C)C","ZXMVESLLHSLTDG-UHFFFAOYSA-N","59431",NA,"PDBC37952","651352","Present"
-"LS-161195","","","","","","","","","","","","","","","","","","","","LS-161195","","CC(CC(C(F)(F)Cl)(C(F)(F)Cl)O)(C#N)O","OEIHURFLMQCJIG-UHFFFAOYSA-N","379445",NA,"PDBC37953","663993","Present"
-"LS-17782","","","","","","","","","","","","","","","","","","","","LS-17782","","C[N+](C)(CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCO.[I-]","IMRPLALOWVCIRL-UHFFFAOYSA-M","59513",NA,"PDBC37954","663626","Present"
-"LS-191560","","","","","","","","","","","","","","","","","","","","LS-191560","","CCN(CC)CSC1=NC2=CC=CC=C2S1","AHPUCDXYYPKNAF-UHFFFAOYSA-N","364067",NA,"PDBC37955","629706","Present"
-"LS-192368","","","","","","","","","","","","","","","","","","","","LS-192368","","CC1=CC(=NC2=C1C(=O)N(S2)CN3CCC(CC3)(C#N)C4=CC=CC=C4)C","HYGAGYUZGYLWBT-UHFFFAOYSA-N","401089",NA,"PDBC37956","713912","Present"
-"LS-19726","","","","","","","","","","","","","","","","","","","","LS-19726","","COC1=CC(=C(C=C1)OC)NC2=NCCO2","QMKKYQIMEGYVDH-UHFFFAOYSA-N","58910",NA,"PDBC37957","664004","Present"
-"LS-19908","","","","","","","","","","","","","","","","","","","","LS-19908","","CSC1=CC=CC=C1NC2=NCCO2","BAZPSAHQVPRONW-UHFFFAOYSA-N","58912",NA,"PDBC37958","664005","Present"
-"LS-20267","","","","","","","","","","","","","","","","","","","","LS-20267","","CN(C)CCNCC1=C2C=CC=CC2=C(C3=CC=CC=C31)CNCCN(C)C","NQNIIYOBGWAPDR-UHFFFAOYSA-N","60242",NA,"PDBC37959","622293","Present"
-"LS-22106","","","","","","","","","","","","","","","","","","","","LS-22106","","CCOC(=O)CC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N=NN(C)C","SLCZGQFZBZOEBG-UHFFFAOYSA-N","53660",NA,"PDBC37960","651353","Present"
-"LS-22448","","","","","","","","","","","","","","","","","","","","LS-22448","","C1CC2CCC1CN(C2)C(=S)NN=CC3=CC=CC=N3","SOFPDFXZPLBDHW-RQZCQDPDSA-N","9554752",NA,"PDBC37961","667885","Present"
-"LS-22728","","","","","","","","","","","","","","","","","","","","LS-22728","","COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=O)C3(C2=O)CCCCC3","CBNIAMSMWQGIDT-UHFFFAOYSA-N","59659",NA,"PDBC37962","663972","Present"
-"LS-22895","","","","","","","","","","","","","","","","","","","","LS-22895","","C1CCCN(CC1)C(=S)NN=CC2=CC=CC=N2","YELXJUBURDMCLZ-RVDMUPIBSA-N","9554747",NA,"PDBC37963","667872","Present"
-"LS-25616","","","","","","","","","","","","","","","","","","","","LS-25616","","CCN(CC)CCN(C1=CC=CC=C1N)C(=O)C2=CC=C(C=C2)F","SGMNODFVDOBJOE-UHFFFAOYSA-N","59673",NA,"PDBC37964","663628","Present"
-"LS-26501","","","","","","","","","","","","","","","","","","","","LS-26501","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","WJHWITZCMZCYCS-UHFFFAOYSA-N","3000643",NA,"PDBC37965","646792","Present"
-"LS-27446","","","","","","","","","","","","","","","","","","","","LS-27446","","COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)S(=O)(=O)N","VKCYYRCBSOAUCN-UHFFFAOYSA-N","394900",NA,"PDBC37966","698992","Present"
-"LS-28837","","","","","","","","","","","","","","","","","","","","LS-28837","","CC(=C)C#CC(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O","HNFSQQPBCHYZKE-UHFFFAOYSA-N","44183",NA,"PDBC37967","263548","Present"
-"LS-32680","","","","","","","","","","","","","","","","","","","","LS-32680","","CCN(CC)CCN1C2=CC=CC=C2N=C1C(C)(C)C","IZJHSKBOIFMRER-UHFFFAOYSA-N","59436",NA,"PDBC37968","659141","Present"
-"LS-32859","","","","","","","","","","","","","","","","","","","","LS-32859","","CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC","SFNKTTXBZXVGOH-UHFFFAOYSA-N","26412",NA,"PDBC37969","659139","Present"
-"LS-32860","","","","","","","","","","","","","","","","","","","","LS-32860","","CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC(=CC=C3)OC","DKGPIAALXIUMNA-UHFFFAOYSA-N","59451",NA,"PDBC37970","663643","Present"
-"LS-32928","","","","","","","","","","","","","","","","","","","","LS-32928","","C1=C2C(=CC(=C1Cl)SSC3=C(C=C4C(=C3)N=C(N4)C(F)(F)F)Cl)N=C(N2)C(F)(F)F","RBHOHJRBYLTTGS-UHFFFAOYSA-N","59452",NA,"PDBC37971","663641","Present"
-"LS-33233","","","","","","","","","","","","","","","","","","","","LS-33233","","CC(=O)N1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F","HACVSVYOLJDEJK-UHFFFAOYSA-N","121577",NA,"PDBC37972","665689","Present"
-"LS-33260","","","","","","","","","","","","","","","","","","","","LS-33260","","C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=CS4","GHHCMKKXQNVLTH-UHFFFAOYSA-N","380235",NA,"PDBC37973","665712","Present"
-"LS-34443","","","","","","","","","","","","","","","","","","","","LS-34443","","CCN(CC)CCNCC1=CC(=CC2=C1OCOC2)Cl","LJSIAAAKUWQIAC-UHFFFAOYSA-N","57701",NA,"PDBC37974","663631","Present"
-"LS-35670","","","","","","","","","","","","","","","","","","","","LS-35670","","CCOC(=O)C1=C(C=CC(=C1)Cl)OC(=O)N","HZMSXSATHGSRPG-UHFFFAOYSA-N","359387",NA,"PDBC37975","620230","Present"
-"LS-39255","","","","","","","","","","","","","","","","","","","","LS-39255","","COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl","QPWTVCSDBXVHHT-UHFFFAOYSA-N","42460",NA,"PDBC37976","667224","Present"
-"LS-39572","","","","","","","","","","","","","","","","","","","","LS-39572","","COC1=CC=CC=C1C=C2COC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4","GCRQNHGEXPZOOM-CPNJWEJPSA-N","6449193",NA,"PDBC37977","745000","Present"
-"LS-39903","","","","","","","","","","","","","","","","","","","","LS-39903","","C1=CC=C2C(=C1)C3=C(C4=C(N3)C5=C(C=C4)C=NC=C5)OC2=O","VDZSVNWJENESME-UHFFFAOYSA-N","199848",NA,"PDBC37978","742939","Present"
-"LS-40256","","","","","","","","","","","","","","","","","","","","LS-40256","","CC(=O)N(C1=CC2=C3C(=C1)CCCN3CCC2)C(=O)C","TZCGQOBSJSNTMP-UHFFFAOYSA-N","377639",NA,"PDBC37979","659218","Present"
-"LS-40421","","","","","","","","","","","","","","","","","","","","LS-40421","","CC1=CC(NN1C2=NS(=O)(=O)C3=CC=CC=C3N2C)(C)C","UNNNCHIUOKKUHT-UHFFFAOYSA-N","341521",NA,"PDBC37980","373870","Present"
-"LS-40424","","","","","","","","","","","","","","","","","","","","LS-40424","","CC1=CC(=NN1C2=NS(=O)(=O)C3=CC=CC=C3N2C)C","LLEMGBIWINHBOK-UHFFFAOYSA-N","341519",NA,"PDBC37981","373868","Present"
-"LS-40456","","","","","","","","","","","","","","","","","","","","LS-40456","","CCN1C2=CC=CC=C2S(=O)(=O)N=C1NN","DFOFKVOURVXSFW-UHFFFAOYSA-N","341510",NA,"PDBC37982","373859","Present"
-"LS-40459","","","","","","","","","","","","","","","","","","","","LS-40459","","CN1C2=CC=CC=C2S(=O)(=O)N=C1NN","RLJREWYVJDGKMF-UHFFFAOYSA-N","341509",NA,"PDBC37983","373858","Present"
-"LS-41011","","","","","","","","","","","","","","","","","","","","LS-41011","","CC1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C","LKHXBFOQKPAJRO-UHFFFAOYSA-N","3076856",NA,"PDBC37984","716576","Present"
-"LS-41101","","","","","","","","","","","","","","","","","","","","LS-41101","","C1=CC(=CC=C1NC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-])Cl","PHPMDGDFDIROQA-UHFFFAOYSA-N","381649",NA,"PDBC37985","668468","Present"
-"LS-41225","","","","","","","","","","","","","","","","","","","","LS-41225","","CC12CCCCC1=C(C(S2)(F)F)F","XUQQKAFRTLETGP-UHFFFAOYSA-N","57787",NA,"PDBC37986","664951","Present"
-"LS-41336","","","","","","","","","","","","","","","","","","","","LS-41336","","C1CCC2=C(SC=C2C1)NC3=NCCO3","SHHCRZDGVXPDFM-UHFFFAOYSA-N","33973",NA,"PDBC37987","664321","Present"
-"LS-41409","","","","","","","","","","","","","","","","","","","","LS-41409","","C1C(=CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3S1","YSJUUWPEUQHPJQ-FMIVXFBMSA-N","5472487",NA,"PDBC37988","719468","Present"
-"LS-45843","","","","","","","","","","","","","","","","","","","","LS-45843","","CC(C(C1=CC=CC=C1)O)C(C(F)(F)F)(C(F)(F)F)O","USWUWAGJWLNXBZ-UHFFFAOYSA-N","36944",NA,"PDBC37989","664186","Present"
-"LS-45850","","","","","","","","","","","","","","","","","","","","LS-45850","","C1=CC(=CC=C1C(CC(C(F)(F)F)(C(F)(F)F)O)O)C(CC(C(F)(F)F)(C(F)(F)F)O)O","SUQZIKNKPDXXJX-UHFFFAOYSA-N","58141",NA,"PDBC37990","664537","Present"
-"LS-47531","","","","","","","","","","","","","","","","","","","","LS-47531","","C1=CC=C(C=C1)NN=CCC(C(F)(F)Cl)(C(F)(F)Cl)O","INSNAKPJFGVZNH-CNHKJKLMSA-N","9555938",NA,"PDBC37991","659182","Present"
-"LS-47552","","","","","","","","","","","","","","","","","","","","LS-47552","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=CCC(C(F)(F)F)(C(F)(F)F)O","XZQOIJPSUCREFO-JJPRUIFNSA-N","9555941",NA,"PDBC37992","659195","Present"
-"LS-48941","","","","","","","","","","","","","","","","","","","","LS-48941","","CC(C)(C)OC(=O)NC1=NN=C(S1)S(=O)(=O)N","PNJFEZMILVQYJA-UHFFFAOYSA-N","394901",NA,"PDBC37993","698993","Present"
-"LS-49033","","","","","","","","","","","","","","","","","","","","LS-49033","","CCCCOP(=O)(C)C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC","NOJKENVRJDSSCH-UHFFFAOYSA-N","383544",NA,"PDBC37994","671962","Present"
-"LS-50476","","","","","","","","","","","","","","","","","","","","LS-50476","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC4=C(C=C3)N=C(N4)NC(=O)OC","CTIKCTPWGUDEDX-UHFFFAOYSA-N","399813",NA,"PDBC37995","710911","Present"
-"LS-54274","","","","","","","","","","","","","","","","","","","","LS-54274","","C1=C2C(=CC(=C1Cl)Cl)N=NC(=C2N)C(=O)O","IMBXVSYZRSVZCD-UHFFFAOYSA-N","461801",NA,"PDBC37996","669312","Present"
-"LS-56135","","","","","","","","","","","","","","","","","","","","LS-56135","","C1CCC2C(=C(C(S2)(F)F)F)CC1","ZYWBGTOSOLVSIJ-UHFFFAOYSA-N","58509",NA,"PDBC37997","664948","Present"
-"LS-56856","","","","","","","","","","","","","","","","","","","","LS-56856","","CC1C(C2CCN1CC2)OC(=O)C(C#CC(=C)C)(C3CCCCC3)O","WPDJYQGGODRWAA-UHFFFAOYSA-N","380333",NA,"PDBC37998","665861","Present"
-"LS-56857","","","","","","","","","","","","","","","","","","","","LS-56857","","CC(=C)C#CC(C1CCCCC1)(C(=O)OC2CN3CCC2CC3)O","JMTZQKLHHPNCSG-UHFFFAOYSA-N","380272",NA,"PDBC37999","665750","Present"
-"LS-56859","","","","","","","","","","","","","","","","","","","","LS-56859","","CC1C(C2CCN1CC2)OC(=O)C(C#CC(C)C)(C3CCCCC3)O","QAPPZPYLSRRINH-UHFFFAOYSA-N","380300",NA,"PDBC38000","665780","Present"
-"LS-57550","","","","","","","","","","","","","","","","","","","","LS-57550","","CC1=C(CC(C(C1)(C#N)C#N)(C#N)C#N)C","CKESBCLFVFLERD-UHFFFAOYSA-N","50316",NA,"PDBC38001","659167","Present"
-"LS-57553","","","","","","","","","","","","","","","","","","","","LS-57553","","CC1=CC(C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O)O","MXANCGMHRZANOV-UHFFFAOYSA-N","215054",NA,"PDBC38002","659269","Present"
-"LS-57574","","","","","","","","","","","","","","","","","","","","LS-57574","","CC1=CC(=O)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O","NGQSHSNHDAUHIQ-UHFFFAOYSA-N","377677",NA,"PDBC38003","659257","Present"
-"LS-57627","","","","","","","","","","","","","","","","","","","","LS-57627","","CC1CC(CC(C1)NC2=NCCO2)C","JJZCPNNQNQADNU-UHFFFAOYSA-N","379517",NA,"PDBC38004","664175","Present"
-"LS-57989","","","","","","","","","","","","","","","","","","","","LS-57989","","CC(=C)C#CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O","BMRYDVWUGRWEAY-UHFFFAOYSA-N","380271",NA,"PDBC38005","665749","Present"
-"LS-58005","","","","","","","","","","","","","","","","","","","","LS-58005","","CC#CC(C1CCCC1)(C(=O)OC2CC(N(C(C2)(C)C)C)C)O","BQMGCDFTZFMGQF-UHFFFAOYSA-N","380339",NA,"PDBC38006","665867","Present"
-"LS-58006","","","","","","","","","","","","","","","","","","","","LS-58006","","CC#CC(C1CCCC1)(C(=O)OC2CCC3CCC2N3C)O","VFBVCMGOMRPOLG-UHFFFAOYSA-N","380358",NA,"PDBC38007","665880","Present"
-"LS-58007","","","","","","","","","","","","","","","","","","","","LS-58007","","CC#CC(C1CCCC1)(C(=O)OC2CC3CCC(C2)N3C)O","HGUNQPJVAVUBKB-UHFFFAOYSA-N","380286",NA,"PDBC38008","665766","Present"
-"LS-58059","","","","","","","","","","","","","","","","","","","","LS-58059","","C1CC(C(C1)O)C(C(F)(F)F)(C(F)(F)F)O","NTZTXVLAIORZPJ-UHFFFAOYSA-N","215053",NA,"PDBC38009","664182","Present"
-"LS-58065","","","","","","","","","","","","","","","","","","","","LS-58065","","C1CC(C(=O)C1C(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","PLJLDBYXNJNTPM-UHFFFAOYSA-N","377631",NA,"PDBC38010","659210","Present"
-"LS-58067","","","","","","","","","","","","","","","","","","","","LS-58067","","C1CC(C(=O)C1C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","NVMISAZNGOTJHN-UHFFFAOYSA-N","379524",NA,"PDBC38011","664181","Present"
-"LS-58073","","","","","","","","","","","","","","","","","","","","LS-58073","","C1CC(C(=NNC(=S)N)C1)C(C(F)(F)Cl)(C(F)(F)Cl)O","RJBNNYJHGGOJCR-YAXRCOADSA-N","9571420",NA,"PDBC38012","659219","Present"
-"LS-59947","","","","","","","","","","","","","","","","","","","","LS-59947","","C1CCCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CCCC(=O)C4=CC=CC=C4","PKVGWESEWCDZAN-UHFFFAOYSA-N","380295",NA,"PDBC38013","665776","Present"
-"LS-59953","","","","","","","","","","","","","","","","","","","","LS-59953","","C1CCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CC4=CC=CC=C4","MYPOMDOUBCVDOK-UHFFFAOYSA-N","380313",NA,"PDBC38014","665792","Present"
-"LS-59960","","","","","","","","","","","","","","","","","","","","LS-59960","","CN(C)N1C(=O)CC2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F","ILVXNXRHHAUIEM-UHFFFAOYSA-N","380314",NA,"PDBC38015","665793","Present"
-"LS-59969","","","","","","","","","","","","","","","","","","","","LS-59969","","C1CCCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F","ALGMMJAQGMCYIY-UHFFFAOYSA-N","380292",NA,"PDBC38016","665773","Present"
-"LS-65387","","","","","","","","","","","","","","","","","","","","LS-65387","","CN(C)CCNC1=C(SC2=C1C=C(C=C2)Cl)[N+](=O)[O-]","ZSXCIADKDAEEHK-UHFFFAOYSA-N","381648",NA,"PDBC38017","668467","Present"
-"LS-66464","","","","","","","","","","","","","","","","","","","","LS-66464","","CN(CCC1COC2=CC=CC=C2O1)CCO","RLTYCLLSHWGJIQ-UHFFFAOYSA-N","379225",NA,"PDBC38018","663639","Present"
-"LS-66467","","","","","","","","","","","","","","","","","","","","LS-66467","","CN(CCCC1COC2=CC=CC=C2O1)CCO","PARIMXMLMWNNGN-UHFFFAOYSA-N","377586",NA,"PDBC38019","659153","Present"
-"LS-66553","","","","","","","","","","","","","","","","","","","","LS-66553","","CCCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C=N3)COCCO","QMABODYKRJKKHP-UHFFFAOYSA-N","387675",NA,"PDBC38020","681700","Present"
-"LS-69554","","","","","","","","","","","","","","","","","","","","LS-69554","","CC(C)(C)C1CCC(CC1)N=CN(C)C","WAGLFJVCCDGXDP-UHFFFAOYSA-N","58270",NA,"PDBC38021","168649","Present"
-"LS-69623","","","","","","","","","","","","","","","","","","","","LS-69623","","CN(C)C=NC1=C2CCCCC2=NC3=CC=CC=C31","JJBUZCHGNWYIGM-UHFFFAOYSA-N","58298",NA,"PDBC38022","665665","Present"
-"LS-69643","","","","","","","","","","","","","","","","","","","","LS-69643","","C[N+](C)(C)C=NC1=CC=CC2=C1CCCC2.[I-]","ILRLVDKMRXPQKH-UHFFFAOYSA-M","59031",NA,"PDBC38023","665672","Present"
-"LS-70137","","","","","","","","","","","","","","","","","","","","LS-70137","","C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC=CO4","HWTFFBNCPZGJJP-UHFFFAOYSA-N","391221",NA,"PDBC38024","690118","Present"
-"LS-71917","","","","","","","","","","","","","","","","","","","","LS-71917","","CCCCCCCCCC(=O)NC(CCC(=O)N(CCNC(=O)C1=C(OC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)O","WEKFGLUSHCQPGG-UHFFFAOYSA-N","396038",NA,"PDBC38025","701267","Present"
-"LS-74464","","","","","","","","","","","","","","","","","","","","LS-74464","","C(C(=O)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","FKYJZNQRMGYNOF-UHFFFAOYSA-N","59091",NA,"PDBC38026","659177","Present"
-"LS-74465","","","","","","","","","","","","","","","","","","","","LS-74465","","C(C(=NO)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","RFBJFEPPFAZMQR-UHFFFAOYSA-N","59092",NA,"PDBC38027","659258","Present"
-"LS-74467","","","","","","","","","","","","","","","","","","","","LS-74467","","C(CCl)C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","KCSCCVGBCPYEOH-UHFFFAOYSA-N","59094",NA,"PDBC38028","664301","Present"
-"LS-74472","","","","","","","","","","","","","","","","","","","","LS-74472","","C(C(=NN=C(CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","HDXYKTXHFBJCQB-UHFFFAOYSA-N","59097",NA,"PDBC38029","659205","Present"
-"LS-74476","","","","","","","","","","","","","","","","","","","","LS-74476","","C1=CC=C(C=C1)C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","ZLNCPJIQFZRCCT-UHFFFAOYSA-N","59101",NA,"PDBC38030","664313","Present"
-"LS-75098","","","","","","","","","","","","","","","","","","","","LS-75098","","CC(C)(C)C(CC(C(F)(F)F)(C(F)(F)F)O)O","MYLMNOAFAYNVFZ-UHFFFAOYSA-N","36949",NA,"PDBC38031","664187","Present"
-"LS-75757","","","","","","","","","","","","","","","","","","","","LS-75757","","CC(C)C(C#CC(=C)C)(C(=O)OC1CCN(CC1)C)O","CFZMIFMEOHIJET-UHFFFAOYSA-N","58516",NA,"PDBC38032","665865","Present"
-"LS-75758","","","","","","","","","","","","","","","","","","","","LS-75758","","CC(C)C(C#CC(=C)C)(C(=O)OC1CN2CCC1CC2)O","OIPYMFMOSBQFCM-UHFFFAOYSA-N","58517",NA,"PDBC38033","665866","Present"
-"LS-77867","","","","","","","","","","","","","","","","","","","","LS-77867","","C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=CC=CC=C5)O","RCJJPMUSLRERST-UHFFFAOYSA-N","395636",NA,"PDBC38034","700418","Present"
-"LS-79009","","","","","","","","","","","","","","","","","","","","LS-79009","","CCOC(=O)CN1C(=O)C(=O)N(C1=O)C2=CC=C(C3=CC=CC=C32)OC","QLYJIGRAKDGNNG-UHFFFAOYSA-N","58522",NA,"PDBC38035","663971","Present"
-"LS-81057","","","","","","","","","","","","","","","","","","","","LS-81057","","CC1=C2CCCC2=C(C=C1)NC3=NCCO3","RDYCAKQBFMMLOY-UHFFFAOYSA-N","379598",NA,"PDBC38036","664293","Present"
-"LS-81568","","","","","","","","","","","","","","","","","","","","LS-81568","","C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=O)N2)Cl","SOLDYCGMHQNPBO-UHFFFAOYSA-N","120949",NA,"PDBC38037","675826","Present"
-"LS-81577","","","","","","","","","","","","","","","","","","","","LS-81577","","C1CCC2=C(C1)C(=O)N(N2)C3=NC(=C(C(=O)N3)C4=CC=CC=C4)O","OKQGTEMNYNEOJQ-UHFFFAOYSA-N","387156",NA,"PDBC38038","680670","Present"
-"LS-81895","","","","","","","","","","","","","","","","","","","","LS-81895","","C1C2CC(=O)NN=C2C3=C1C=CC(=C3)N","SHLKSZCXCGJHBR-UHFFFAOYSA-N","362753",NA,"PDBC38039","627012","Present"
-"LS-82081","","","","","","","","","","","","","","","","","","","","LS-82081","","CCN(CC)C(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3","INSALCBJIJDADX-UHFFFAOYSA-N","381974",NA,"PDBC38040","669284","Present"
-"LS-86334","","","","","","","","","","","","","","","","","","","","LS-86334","","CC1=CC(=NC2=C1C(=O)N(S2)CN3CCC(CC3)(C4=CC=CC=C4)C(=O)C)C","JQEZGWZGQIGIKL-UHFFFAOYSA-N","401090",NA,"PDBC38041","713913","Present"
-"LS-86345","","","","","","","","","","","","","","","","","","","","LS-86345","","CC1=CC(=NC2=C1C(=O)N(S2)CN3CCC(CC3)(C4=CC=CC=C4)O)C","WYYPQJJTWRQMQP-UHFFFAOYSA-N","401091",NA,"PDBC38042","713914","Present"
-"LS-86351","","","","","","","","","","","","","","","","","","","","LS-86351","","CC1=CC(=NC2=C1C(=O)N(S2)CN3CCN(CC3)C4=CC=CC=C4)C","NSUNHQVKGYEDJF-UHFFFAOYSA-N","399235",NA,"PDBC38043","709908","Present"
-"LS-86368","","","","","","","","","","","","","","","","","","","","LS-86368","","CSC1=C2C3=C(C(=NN=N3)Cl)SC2=NS1","VLBJEKJZDMWFTA-UHFFFAOYSA-N","363926",NA,"PDBC38044","629414","Present"
-"LS-87499","","","","","","","","","","","","","","","","","","","","LS-87499","","CCCCCCOP(=O)(OCCCCCC)OC(C(=O)OC)C(F)(F)F","VULSCMWMOQMCEZ-UHFFFAOYSA-N","389112",NA,"PDBC38045","684797","Present"
-"LS-88913","","","","","","","","","","","","","","","","","","","","LS-88913","","CC1=COC(CC1)(C)C=C(C#N)C#N","LYZBGHYQNCVQIB-UHFFFAOYSA-N","58846",NA,"PDBC38046","664252","Present"
-"LS-89059","","","","","","","","","","","","","","","","","","","","LS-89059","","CCC#CC(C1=CC=CC=C1)(C(=O)OC2CC3CCC(C2)N3C)O","CPSOCUUSNHHZOV-UHFFFAOYSA-N","58877",NA,"PDBC38047","665769","Present"
-"LS-89076","","","","","","","","","","","","","","","","","","","","LS-89076","","C1CC=C(C1)C(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O","HRGZDUGJXKGXRU-UHFFFAOYSA-N","58885",NA,"PDBC38048","665875","Present"
-"LS-89146","","","","","","","","","","","","","","","","","","","","LS-89146","","CC1C(C2CCN1CC2)OC(=O)C(C#CC(=C)C)(C3=CC=CC=C3)O","VAZMYEINDVOWBR-UHFFFAOYSA-N","58816",NA,"PDBC38049","665860","Present"
-"LS-89148","","","","","","","","","","","","","","","","","","","","LS-89148","","CC(=C)C#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O","GBTXSVZHHMYRNF-UHFFFAOYSA-N","58817",NA,"PDBC38050","665760","Present"
-"LS-90719","","","","","","","","","","","","","","","","","","","","LS-90719","","C1CC2CC1C3=C2SC(C3F)(F)F","BNWKOGOFYDNKHF-UHFFFAOYSA-N","379828",NA,"PDBC38051","664959","Present"
-"LS-91147","","","","","","","","","","","","","","","","","","","","LS-91147","","CC1=CC(=NC2=C1C(=O)C(=C(C3=CC=C(C=C3)Br)O)N(S2(=O)=O)CCCN4CCN(CC4)C5=CC(=CC=C5)Cl)C","PSHGMWAURZIZNS-RQZHXJHFSA-N","5471796",NA,"PDBC38052","713727","Present"
-"LS-91170","","","","","","","","","","","","","","","","","","","","LS-91170","","CC1=CC(=NC2=C1C(=O)C(=C(C3=CC=C(C=C3)Cl)O)N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)C","QEGKPHFRSLKKQU-RQZHXJHFSA-N","5471802",NA,"PDBC38053","713761","Present"
-"LS-91176","","","","","","","","","","","","","","","","","","","","LS-91176","","CC1=CC(=NC2=C1C(=O)C(=C(C3=CC=CC=C3)O)N(S2(=O)=O)CCCN4CCN(CC4)C5=CC(=CC=C5)Cl)C","NHEWCORKHUJIIF-RQZHXJHFSA-N","5471795",NA,"PDBC38054","713726","Present"
-"LS-91344","","","","","","","","","","","","","","","","","","","","LS-91344","","C1CC2CC1C3C2[Se]C(C3(F)F)(F)F","PHSQTDFFDQCHTE-UHFFFAOYSA-N","379831",NA,"PDBC38055","664962","Present"
-"LS-93289","","","","","","","","","","","","","","","","","","","","LS-93289","","C1COCCN1C(=O)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4","ZUQMJTPHFCMCHD-UHFFFAOYSA-N","381976",NA,"PDBC38056","669286","Present"
-"LS-95062","","","","","","","","","","","","","","","","","","","","LS-95062","","C1CC(=CC2=CC=C(C=C2)O)C(=O)C3=CC=CC=C31","SRJMKMQJTLCMRQ-SDNWHVSQSA-N","5468147",NA,"PDBC38057","665348","Present"
-"LS-95466","","","","","","","","","","","","","","","","","","","","LS-95466","","C1CC2=CC=CC=C2C(C1C(C(F)(F)F)(C(F)(F)F)O)O","XIRXXXXJQVXTQG-UHFFFAOYSA-N","36948",NA,"PDBC38058","664183","Present"
-"LS-95659","","","","","","","","","","","","","","","","","","","","LS-95659","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","PUJNJVCNZLKFBQ-UHFFFAOYSA-N","23366",NA,"PDBC38059","39355","Present"
-"LS-95721","","","","","","","","","","","","","","","","","","","","LS-95721","","C1CCC2C(C1)CCCC2NC3=NCCO3","ARGKDOYQHZOQEK-UHFFFAOYSA-N","57937",NA,"PDBC38060","664969","Present"
-"LS-95822","","","","","","","","","","","","","","","","","","","","LS-95822","","CC1=CC(=C2CCCCC2=C1C)NC3=NCCO3","GTUOHYYXUFZLSU-UHFFFAOYSA-N","53736",NA,"PDBC38061","664190","Present"
-"LS-95849","","","","","","","","","","","","","","","","","","","","LS-95849","","CN(C1=CC=CC2=C1CCCC2)C3=NCCO3","GZNNPSLOTUSZII-UHFFFAOYSA-N","379584",NA,"PDBC38062","664273","Present"
-"LS-95858","","","","","","","","","","","","","","","","","","","","LS-95858","","C1CCC2=C(C1)C=CC(=C2)NC3=NCCO3","OTBQDOKDJFEZPM-UHFFFAOYSA-N","379519",NA,"PDBC38063","664177","Present"
-"LS-96853","","","","","","","","","","","","","","","","","","","","LS-96853","","C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O","FXKRUMSLBBAAEF-UHFFFAOYSA-N","58984",NA,"PDBC38064","160019","Present"
-"LS-97237","","","","","","","","","","","","","","","","","","","","LS-97237","","CC(C)(C)NC(=O)CCC1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)NC(C)(C)C","DLKUHVHBTOANNM-UHFFFAOYSA-N","379824",NA,"PDBC38065","664954","Present"
-"LS-97508","","","","","","","","","","","","","","","","","","","","LS-97508","","C1CC2CC(CC1N2CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C5=CC=CC=C5)O","WVYHWXIPRDZZRF-UHFFFAOYSA-N","380284",NA,"PDBC38066","665764","Present"
-"LS-97512","","","","","","","","","","","","","","","","","","","","LS-97512","","C1CC2CC(CC1N2CCC3=CC=CC=C3)(C4=CC=CC=C4)O","GCNACBRBJGYUFP-UHFFFAOYSA-N","380280",NA,"PDBC38067","665759","Present"
-"LS-97918","","","","","","","","","","","","","","","","","","","","LS-97918","","CC(=O)CCC(=O)CC(C(F)(F)F)(C(F)(F)F)O","YAQPNPYBHOXZOJ-UHFFFAOYSA-N","59062",NA,"PDBC38068","664261","Present"
-"LS-98619","","","","","","","","","","","","","","","","","","","","LS-98619","","CC1(C2(CCN(CC2)CC3=CC=CC=C3)CC(=O)O1)C","ZSNQTNXQNSSTTB-UHFFFAOYSA-N","380301",NA,"PDBC38069","665781","Present"
-"LSZ-102","","","","","","","","","","","","","","","","","","","","LSZ-102","","CC(C1=C(C=CC(=C1)F)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)C=CC(=O)O)(F)F","SJXNPGGVGZXKKI-NYYWCZLTSA-N","118574930",NA,"PDBC38070","814025","Present"
-"LTFADDCIWASCTO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","LTFADDCIWASCTO-UHFFFAOYSA-N","","C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC=CC=C24","LTFADDCIWASCTO-UHFFFAOYSA-N","391074",NA,"PDBC38071","689608","Present"
-"LUF-5484","","","","","","","","","","","","","","","","","","","","LUF-5484","","C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC(=C(C=C3)Cl)Cl","VBHZVGMOPSACQD-UHFFFAOYSA-N","403297",NA,"PDBC38072","718003","Present"
-"LXH-254","","","","","","","","","","","","","","","","","","","","LXH-254","","CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C(F)(F)F)C3=CC(=NC(=C3)OCCO)N4CCOCC4","UEPXBTCUIIGYCY-UHFFFAOYSA-N","90456533",NA,"PDBC38073","807047","Present"
-"LXS-196","","","","","","","","","","","","","","","","","","","","LXS-196","","CC1(CCN(CC1)C2=C(N=CC=C2)NC(=O)C3=NC(=CN=C3N)C4=C(C=CC=N4)C(F)(F)F)N","XXJXHXJWQSCNPX-UHFFFAOYSA-N","118873253",NA,"PDBC38074","800030","Present"
-"LY-3177833","","","","","","","","","","","","","","","","","","","","LY-3177833","","CC1(C2=C(C=C(C=C2)C3=CNN=C3)C(=O)N1)C4=NC=NC=C4F","KNLVLWZENYQYRT-MRXNPFEDSA-N","81689696",NA,"PDBC38075","793585","Present"
-"LY-3200882","","","","","","","","","","","","","","","","","","","","LY-3200882","","CC(C)(C1=NC=CC(=C1)NC2=NC=CC(=C2)OC3=CN(N=C3C4CCOCC4)C5CC5)O","PNPFMWIDAKQFPY-UHFFFAOYSA-N","121249291",NA,"PDBC38076","802451","Present"
-"LY-3214996","","","","","","","","","","","","","","","","","","","","LY-3214996","","CC1(C2=C(C=C(S2)C3=NC(=NC=C3)NC4=CC=NN4C)C(=O)N1CCN5CCOCC5)C","JNPRPMBJODOFEC-UHFFFAOYSA-N","121408882",NA,"PDBC38077","803410","Present"
-"LY3295668","","","","","","","","","","","","","","","","","","","","LY3295668","","CC1CC(CCN1CC2=C(C(=CC=C2)Cl)F)(CC3=C(C=CC(=N3)NC4=NNC(=C4)C)F)C(=O)O","YQQZZYYQTCPEAS-OYLFLEFRSA-N","121333423",NA,"PDBC38078","816863","Present"
-"Labd-13-ene-8,15-diol","","","","","","","","","","","","","","","","","","","","(13e)-13-labdene-8,15-diol","","CC(=CCO)CCC1C2(CCCC(C2CCC1(C)O)(C)C)C","LEOHDQKUMQKLMP-NUKBDRAPSA-N","5471228",NA,"PDBC38079","709593","Present"
-"Labriformin","","","","","","","","","","","","","","","","","","","","Labriformin","","CC1CC2(C3(C(O1)OC4CC5CC6C7(O6)C(C5(CC4O3)C)C(C(=O)C8(C7(CCC8C9=CC(=O)OC9)O)C)O)O)N=CCS2","BGKAKFOJZRBENJ-OWLIRKHKSA-N","372740",NA,"PDBC38080","648338","Present"
-"Lacidipine","","","","","","","","","","","","","","","","","","","Lacidipine","","","CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C","GKQPCPXONLDCMU-CCEZHUSRSA-N","5311217",NA,"PDBC38081","","Absent"
-"Lactococcin","","","","","","","","","","","","","","","","","","","","Lactococcin","","CC1=CC2=C(C=C1C)N=C(C(=O)N2)C(C(=O)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)OC","XJAJBFWPYSQCKP-UHFFFAOYSA-N","371544",NA,"PDBC38082","645873","Present"
-"Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/ Carbamo...","","","","","","","","","","","","","","","","","","","","Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/ Carbamo...","","C1=C(C(=O)NC(=O)N1C(=O)NCCCCCCNC(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C(C(C(C(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)F","ULNLTPFCOWQWFY-UHFFFAOYSA-N","363287",NA,"PDBC38083","628083","Present"
-"Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/Carbamoy...","","","","","","","","","","","","","","","","","","","","Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/Carbamoy...","","","","",NA,"PDBC38084","628537","Present"
-"Lagosin","","","","","","","","","","","","","","","","","","","","lagosin///Fungichromin","","CCCCCC(C1C(CC(CC(CC(CC(CC(C(C(C(=CC=CC=CC=CC=CC(C(OC1=O)C)O)C)O)O)O)O)O)O)O)O)O","AGJUUQSLGVCRQA-DBHIOOTNSA-N","5358751",NA,"PDBC38085","276732///277813","Present"
-"Lalibinone B","","","","","","","","","","","","","","","","","","","","Ialibinone B","","CC(C)C(=O)C1=C(C23CC(C(C2CC(C1=O)(C3=O)C)(C)C)C(=C)C)O","VPSKKVOYHJNEPR-AZSXHDHRSA-N","135436327",NA,"PDBC38086","719238","Present"
-"Lambdamycin","","","","","","","","","","","","","","","","","","","","chartreusin","","CC1C(C(C(C(O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)OC7C(C(C(C(O7)C)O)OC)O)O)O","PONPPNYZKHNPKZ-UHFFFAOYSA-N","5351130",NA,"PDBC38087","5159","Present"
-"Lambertianic acid","","","","","","","","","","","","","","","","","","","","Lambertianic acid","","CC12CCCC(C1CCC(=C)C2CCC3=COC=C3)(C)C(=O)O","ZQHJXKYYELWEOK-FQVATPOOSA-N","6712281",NA,"PDBC38088","664875","Present"
-"Lamuran","","","","","","","","","","","","","","","","","","","","sarpan","","CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45","GRTOGORTSDXSFK-UHFFFAOYSA-N","251561",NA,"PDBC38089","72133","Present"
-"Landomycin A","","","","","","","","","","","","","","","","","","","","Landomycin A","","CC1C(CCC(O1)OC2CC(OC(C2O)C)OC3C(OC(CC3O)OC4CCC(OC4C)OC5CC(OC(C5O)C)OC6C(OC(CC6O)OC7=C8C(=C(C=C7)O)C(=O)C9=C(C8=O)C(CC1=C9C(=CC(=C1)C)O)O)C)C)O","YMSZNAXJMXNNPT-OELAXGSHSA-N","368342",NA,"PDBC38090","639187","Present"
-"Landomycin E","","","","","","","","","","","","","","","","","","","","Landomycin E","","CC1C(CCC(O1)OC2CC(OC(C2O)C)OC3C(OC(CC3O)OC4=C5C(=C(C=C4)O)C(=O)C6=C(C5=O)C(CC7=C6C(=CC(=C7)C)O)O)C)O","RYRHTBKDZLGPGI-UHFFFAOYSA-N","399246",NA,"PDBC38091","709922","Present"
-"Lankacidin C","","","","","","","","","","","","","","","","","","","","Lankacidin C","","CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)C)O)C)O","ATDILMLBOZKFGI-MPJWFRRFSA-N","6037480",NA,"PDBC38092","145118","Present"
-"Lapachol","","","","","","","","","","","","","","","","","","","","lapachol","","CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C","CWPGNVFCJOPXFB-UHFFFAOYSA-N","3884",NA,"PDBC38093","11905","Present"
-"Lapachol epoxide","","","","","","","","","","","","","","","","","","","","LAPACHOL EPOXIDE","","CC(C)(C1COC2=C1C(=O)C3=CC=CC=C3C2=O)O","FZEWOHZQRSNZBB-UHFFFAOYSA-N","314883",NA,"PDBC38094","235178","Present"
-"Lapachol glucoside tetraacetate","","","","","","","","","","","","","","","","","","","","Lapachol glucoside tetraacetate","","CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","FMNSNVSJQBSOAM-UHFFFAOYSA-N","323592",NA,"PDBC38095","285109","Present"
-"Lapachol, sodium salt","","","","","","","","","","","","","","","","","","","","Lapachol, sodium salt","","CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C.[Na+]","CDAVGRAVEFHYJH-UHFFFAOYSA-N","23615791",NA,"PDBC38096","125177","Present"
-"Largomycin F-II","","","","","","","","","","","","","","","","","","","","Largomycin F-II","","","","",NA,"PDBC38097","237020","Present"
-"Lariphan","","","","","","","","","","","","","","","","","","","","Lariphan","","","","",NA,"PDBC38098","653865","Present"
-"Larotrectinib","","","","","","","","","","","","","","","","","","","","LOXO-101","","C1CC(N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CCC(C4)O)C5=C(C=CC(=C5)F)F","NYNZQNWKBKUAII-KBXCAEBGSA-N","46188928",NA,"PDBC38099","785570","Present"
-"Laserolide","","","","","","","","","","","","","","","","","","","","Laserolide","","CC=C(C)C(=O)OC1C=C(CCC=C(CC2C1C(C(=O)O2)(C)OC(=O)C)C)C","WWJDCBOSKSEBLO-HMOZVCCUSA-N","5381057",NA,"PDBC38100","109433","Present"
-"Lasiocarpine","","","","","","","","","","","","","","","","","","","","lasiocarpine","","CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O","QHOZSLCIKHUPSU-LPLKQDONSA-N","5281735",NA,"PDBC38101","30625","Present"
-"Latrunculin a","","","","","","","","","","","","","","","","","","","","Latrunculin A","","CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC=CC=C1)C","DDVBPZROPPMBLW-IZGXTMSKSA-N","445420",NA,"PDBC38102","613011","Present"
-"Laudanosolinium, bromide (+-)-","","","","","","","","","","","","","","","","","","","","Laudanosolinium, 2-methyl-, bromide (.+-.)-","","C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)O)C.[Br-]","HUZUHDCHZYBHGN-UHFFFAOYSA-N","5351989",NA,"PDBC38103","121848","Present"
-"Laureatin","","","","","","","","","","","","","","","","","","","","Laureatin","","CCC(C1CC(C2CC(O2)C(O1)CC=CC#C)Br)Br","QVSXXUNREJZJAN-AATRIKPKSA-N","5458234",NA,"PDBC38104","122226","Present"
-"Laurolinium acetate","","","","","","","","","","","","","","","","","","","","Laurodin","","CCCCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C.CC(=O)[O-]","WFENCVFYUBXRSH-UHFFFAOYSA-N","67354",NA,"PDBC38105","66214","Present"
-"Lauryl isoquinolinium bromide","","","","","","","","","","","","","","","","","","","","isothan","","CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]","MSJLMQTXVKCUCD-UHFFFAOYSA-M","7132",NA,"PDBC38106","20909","Present"
-"Laurylisothiuronium bromide","","","","","","","","","","","","","","","","","","","","s-dodecylthiuronium bromide","","CCCCCCCCCCCCSC(=N)N.Br","WFERTJGZWKWNMF-UHFFFAOYSA-N","77086",NA,"PDBC38107","3505","Present"
-"Lavendustin A","","","","","","","","","","","","","","","","","","","","lavendustin a","","C1=CC=C(C(=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC(=C(C=C3)O)C(=O)O)O","ULTTYPMRMMDONC-UHFFFAOYSA-N","3894",NA,"PDBC38108","678027","Present"
-"Lead, bis[(2-cyanoethyl)cyclohexylcarbamodithioato-S,S']...","","","","","","","","","","","","","","","","","","","","Lead, bis[(2-cyanoethyl)cyclohexylcarbamodithioato-S,S']...","","","","",NA,"PDBC38109","179074","Present"
-"Lead, tripropyl-p-tolylsulfonamido-","","","","","","","","","","","","","","","","","","","","LS-87712","","CCC[Pb](CCC)(CCC)NS(=O)(=O)C1=CC=C(C=C1)C","GNJBZWAHEQMOJF-UHFFFAOYSA-N","16683256",NA,"PDBC38110","659142","Present"
-"Leinamycin","","","","","","","","","","","","","","","","","","","","leinamycin","","CC1C2=NC(=CS2)C=CC=CC(=O)C(C=C(CCC3(CC(=O)N1)C(C(=O)SS3=O)(C)O)C)O","ZHTRILQJTPJGNK-FYBAATNNSA-N","9849230",NA,"PDBC38111","645777","Present"
-"Leiopyrrole hydrochloride","","","","","","","","","","","","","","","","","","","","4N4RH67VMX","","CCN(CC)CCOC1=CC=CC=C1N2C(=CC=C2C3=CC=CC=C3)C.Cl","JTOGCNWNXIHUHX-UHFFFAOYSA-N","26376",NA,"PDBC38112","83995","Present"
-"Lentinic acid","","","","","","","","","","","","","","","","","","","","lentinic acid","","CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N","YJXVNZXKWINDJO-UHFFFAOYSA-N","335576",NA,"PDBC38113","345718","Present"
-"Leonotis nepetaefolia extract","","","","","","","","","","","","","","","","","","","","nepetaefolinol","","CC1CC(C2C3(CCCC2(C14CCC5(O4)CCOC5=O)COC3=O)C)(C)O","SXRSWIKTOZHQDT-UHFFFAOYSA-N","427380",NA,"PDBC38114","211498","Present"
-"Leprolomin","","","","","","","","","","","","","","","","","","","","Leprolomin","","CC1=C(C(=C(C=C1OC)OC2=C(C(=C(C(=C2O)C)OC)C(=O)C)O)C(=O)C)O","QNCHFYWKVGDPCD-UHFFFAOYSA-N","155192",NA,"PDBC38115","646011","Present"
-"Leu-28-Asp","","","","","","","","","","","","","","","","","","","","cs2664","","CC(C)CC(C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)N.CC(=O)O","BHZZDGYEJLGHAO-UHFFFAOYSA-N","45028999",NA,"PDBC38116","745104","Present"
-"Leucanthone, m-aminobenzenesulfonate","","","","","","","","","","","","","","","","","","","","Leucanthone, m-aminobenzenesulfonate","","CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.C1=CC(=CC(=C1)S(=O)(=O)O)N","WVLAPRLFSRGXRA-UHFFFAOYSA-N","234864",NA,"PDBC38117","35587","Present"
-"Leucanthone, p-aminobenzenesulfonate","","","","","","","","","","","","","","","","","","","","Leucanthone, p-aminobenzenesulfonate","","CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.C1=CC(=CC=C1N)S(=O)(=O)O","OTWYAXNLCLWOGD-UHFFFAOYSA-N","233758",NA,"PDBC38118","32720","Present"
-"Leucettamol A","","","","","","","","","","","","","","","","","","","","Leucettamol A","","CC(C(CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC(C(C)N)O)O)N","CXFKWMQQNSTRAS-UEBLXSIFSA-N","5468255",NA,"PDBC38119","666740","Present"
-"Leucinostatine D","","","","","","","","","","","","","","","","","","","","Leucinostatine D","","","","",NA,"PDBC38120","608984","Present"
-"Leucomycin A3","","","","","","","","","","","","","","","","","","","","NSC116068///NSC122223","","CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O","XJSFLOJWULLJQS-LIACPWMRSA-N","5474986",NA,"PDBC38121","116068///122223","Present"
-"Leupeptin","","","","","","","","","","","","","","","","","","","","Leupeptin","","CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.OS(=O)(=O)O","IBDASEYBOOUHFZ-UHFFFAOYSA-N","355987",NA,"PDBC38122","610939","Present"
-"Leuprorelin acetate","","","","","","","","","","","","","","","","","","","","Leuprolide","","CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O","RGLRXNKKBLIBQS-UHFFFAOYSA-N","441410",NA,"PDBC38123","746847","Present"
-"Leurosine N-oxide","","","","","","","","","","","","","","","","","","","","Leurosine N-oxide","","CCC12C[N+]3(CCC4=C(C(CC(C3)C1O2)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41)[O-]","JTXQOORWDLJELA-UHFFFAOYSA-N","432153",NA,"PDBC38124","304421","Present"
-"Levamisole hydrochloride","","","","","","","","","","","","","","","","","","","","Levamisole hydrochloride","","C1CSC2=NC(CN21)C3=CC=CC=C3.Cl","LAZPBGZRMVRFKY-HNCPQSOCSA-N","27944",NA,"PDBC38125","177023","Present"
-"Levatin","","","","","","","","","","","","","","","","","","","","Levatin","","C=C1CCC23CC(CCC2C14CC(OC4=O)C5=COC=C5)OC3=O","UNKJMPBJRRFBEL-MMMABECUSA-N","5459226",NA,"PDBC38126","653858","Present"
-"Liatrigramin","","","","","","","","","","","","","","","","","","","","Liatrigramin","","CC(=CCOC(=O)C)C(=O)OC1CC2(CO2)C3C(C4C1C(=C)C(=O)O4)C5(C(C3O)O5)C","CENDVHAKXFHGQA-RPGWGAQBSA-N","5383722",NA,"PDBC38127","187686","Present"
-"Liatris laevigata lactone #2","","","","","","","","","","","","","","","","","","","","LIATRIS LAEVIGATA LACTONE #2","","CC=C(C)C(=O)OC1CC2(C(C3C1C(=C)C(=O)O3)C(=C)CCC2=O)C","RWXWIKVQXDTEMH-UXBLZVDNSA-N","5477810",NA,"PDBC38128","357288","Present"
-"Lificiguat","","","","","","","","","","","","","","","","","","","","NSC728165///NSC756879","","C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO","OQQVFCKUDYMWGV-UHFFFAOYSA-N","5712",NA,"PDBC38129","728165///756879","Present"
-"Liliogycoside H","","","","","","","","","","","","","","","","","","","","Liliogycoside H","","CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC19CCC(CO9)CO","BHGJAYRDOPBBLT-CMBMCHTRSA-N","399375",NA,"PDBC38130","710092","Present"
-"Lilly 16726","","","","","","","","","","","","","","","","","","","","symetine hydrochloride(usan)","","CCCCCCN(C)CC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)CN(C)CCCCCC.Cl","AWFUONMBAWWUCM-UHFFFAOYSA-N","54599576",NA,"PDBC38131","81908","Present"
-"Limonene","","","","","","","","","","","","","","","","","","","","cinen","","CC1=CCC(CC1)C(=C)C","XMGQYMWWDOXHJM-UHFFFAOYSA-N","22311",NA,"PDBC38132","844","Present"
-"Limonene dioxide","","","","","","","","","","","","","","","","","","","","dipentene oxide","","CC12CCC(CC1O2)C3(CO3)C","RBHIUNHSNSQJNG-UHFFFAOYSA-N","232703",NA,"PDBC38133","30545","Present"
-"Linearifolin A","","","","","","","","","","","","","","","","","","","","MULTIGILIN","","CC=C(C)C(=O)OC1C2C(C(C(C3C1(C(=O)C=C3)C)C)O)OC(=O)C2=C","UQFKZAAOUCMTRM-CEGIGBEESA-N","5281486",NA,"PDBC38134","265203","Present"
-"Linrodostat","","","","","","","","","","","","","","","","","","","","BMS-988205","","CC(C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)Cl","KRTIYQIPSAGSBP-KLAILNCOSA-N","121328278",NA,"PDBC38135","799771","Present"
-"Lintenone","","","","","","","","","","","","","","","","","","","","Lintenone","","CC1CC(=O)C2C(C3(C2(C1(CC3)C)C)C)CCC(=CCCC4=CC(=O)OC4)C","SDTZLYYMKYPKGF-UMKPCWOVSA-N","5467982",NA,"PDBC38136","661426","Present"
-"Lipoxamycin, sulfate (salt)","","","","","","","","","","","","","","","","","","","","lipoxamycin","","CC(C)CCCC(=O)CCCCCCC(=O)CCN(C(=O)C(CO)N)O.OS(=O)(=O)O","VEVOPDGZLUUAAZ-UHFFFAOYSA-N","5351223",NA,"PDBC38137","106997","Present"
-"Liriodenine","","","","","","","","","","","","","","","","","","","","NSC215254///NSC93681","","C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53","MUMCCPUVOAUBAN-UHFFFAOYSA-N","10144",NA,"PDBC38138","215254///93681","Present"
-"Lisavanbulin","","","","","","","","","","","","","","","","","","","","BAL-101553","","C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)NC(=O)C(CCCCN)N)C4=NON=C4NCCC#N","NIPZLALJRAHABJ-IBGZPJMESA-N","45259014",NA,"PDBC38139","764608","Present"
-"Liscunditrin","","","","","","","","","","","","","","","","","","","","Liscunditrin","","CC=C(COC(=O)C)C(=O)OC1CC2(C(O2)C3C(O3)C(=CC4C1C(=C)C(=O)O4)CO)C","XUMWIQSSHLAZBI-BYDSPXIWSA-N","5477757",NA,"PDBC38140","354051","Present"
-"Lissoclinamide 7","","","","","","","","","","","","","","","","","","","","Lissoclinamide 7","","CC1C2C(=O)NC(C3=NC(CS3)C(=O)NC(C4=NC(CS4)C(=O)NC(C(=O)N5CCCC5C(=N2)O1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C","RBBBWKUBQVARPL-SWQMWMPHSA-N","390558",NA,"PDBC38141","688044","Present"
-"Lissoclinidine","","","","","","","","","","","","","","","","","","","","Lissoclinidine","","CC(=O)NCCC1=C2C3=C(C=CN=C3C4=C1SCO4)C5=CC=CC=C5N2","GOVYAIZYFGHCQC-UHFFFAOYSA-N","10005246",NA,"PDBC38142","722357","Present"
-"Lissoclinolide","","","","","","","","","","","","","","","","","","","","lissoclinolide tetrenolin","","C1=C(C(=O)OC1=CC=CCO)C=CCO","ZYNGLDJNLYFSIV-CZFMBXACSA-N","5472800",NA,"PDBC38143","721618","Present"
-"Lithium arsenate","","","","","","","","","","","","","","","","","","","","Lithium arsenate","","","","",NA,"PDBC38144","309956","Present"
-"Lithium;(3-amino-2-hydroxypropyl)sulfanylphosphonic acid","","","","","","","","","","","","","","","","","","","","NSC118217","","[Li+].C(C(CSP(=O)(O)O)O)N","OIBYZPCJJBZRHQ-UHFFFAOYSA-N","54601539",NA,"PDBC38145","118217","Present"
-"Lithium;N-(2-amino-2-oxoethyl)-tridecylphosphonamidic acid","","","","","","","","","","","","","","","","","","","","Lithium;N-(2-amino-2-oxoethyl)-tridecylphosphonamidic acid","","[Li+].CCCCCCCCCCCCCP(=O)(NCC(=O)N)O","WQUUJRJDGILOPK-UHFFFAOYSA-N","54598737",NA,"PDBC38146","639420","Present"
-"Litocholic acid","","","","","","","","","","","","","","","","","","","","Litocholic acid","","CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","SMEROWZSTRWXGI-XKFRUQSQSA-N","376838",NA,"PDBC38147","657956","Present"
-"Lividomycin A sulfate","","","","","","","","","","","","","","","","","","","","lividomycin a","","C1C(C(C(C(C1N)OC2C(CC(C(O2)CO)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)OC5C(C(C(C(O5)CO)O)O)O)O)N)O)O)N.OS(=O)(=O)O","STOAZZFOPVGXEX-UHFFFAOYSA-N","300054",NA,"PDBC38148","174120","Present"
-"Lmp-744","","","","","","","","","","","","","","","","","","","","NSC706743","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC","QCSDJDQOJBQTDV-UHFFFAOYSA-N","397888",NA,"PDBC38149","706743","Present"
-"Lmp7-IN-1","","","","","","","","","","","","","","","","","","","","M-3258","","B(C(CC1=COC2=CC=CC=C21)NC(=O)C3CC4CCC3O4)(O)O","RFQDLTYXNINJON-OYNZBZHQSA-N","138319683",NA,"PDBC38150","818432","Present"
-"Lmu-5 herz","","","","","","","","","","","","","","","","","","","","LMU-5 HERZ","","CC=C(CO)C(=O)OC1CC2(C(O2)C3C(O3)C(=CC4C1C(=C)C(=O)O4)CO)C","TZMBEJAHWVHDNJ-ZVSIBQGLSA-N","5477758",NA,"PDBC38151","354069","Present"
-"Lobaplatin","","","","","","","","","","","","","","","","","","","","Platinum, (1,2-cyclobutanedimethanamine-N,N') [2-hydroxy...","","CC(C(=O)[O-])[O-].C1CC(C1CN)CN.[Pt+4]","XSMVECZRZBFTIZ-UHFFFAOYSA-M","24202037",NA,"PDBC38152","619413","Present"
-"Lobendazole","","","","","","","","","","","","","","","","","","","","Lobendazole///1H-Benzoimidazol-2-yl-carbamic acid","","CCOC(=O)NC1=NC2=CC=CC=C2N1","OKOVSTKGUBOSTB-UHFFFAOYSA-N","22752",NA,"PDBC38153","42044///764935","Present"
-"Lobinaline hydrochloride","","","","","","","","","","","","","","","","","","","","Lobinaline, monohydrochloride","","CN1CCCC2C1CC(C(C2C3=CC=CC=C3)C4=NCCCC4)C5=CC=CC=C5.Cl","OFACYIYGLBCJSK-UHFFFAOYSA-N","5351224",NA,"PDBC38154","109444","Present"
-"Lobolide","","","","","","","","","","","","","","","","","","","","Lobolide","","CC1=CCCC2(C(O2)CC3C(CC(=CCC1)C)OC(=O)C3=C)COC(=O)C","FZPXORVKUGLVCP-LPSKSUNQSA-N","5359032",NA,"PDBC38155","294712","Present"
-"Lofepramine","","","","","","","","","","","","","","","","","","","LOFEPRAMINE","","","CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl","SAPNXPWPAUFAJU-UHFFFAOYSA-N","3947",NA,"PDBC38156","","Absent"
-"Lomerizine hydrochloride","","","","","","","","","","","","","","","","","","","Lomerizine 2HCl","","","COC1=C(C(=C(C=C1)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC)OC.Cl.Cl","LOGVKVSFYBBUAJ-UHFFFAOYSA-N","122125",NA,"PDBC38157","","Absent"
-"Lomofungin","","","","","","","","","","","","","","","","","","","","lomofungin///Lomondomycin","","COC(=O)C1=C2C(=NC3=C(N2)C(=O)C=C(C3=CO)O)C(=O)C=C1","YDXARWIJAYOANV-FNORWQNLSA-N","135426834",NA,"PDBC38158","106995///156939","Present"
-"Lonchocarpic acid","","","","","","","","","","","","","","","","","","","","Lonchocarpic acid","","CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)OC)C(=C(C(=O)O2)C4=CC=C(C=C4)O)O)C","QKTFIWUHGFCLHF-UHFFFAOYSA-N","54683839",NA,"PDBC38159","307981","Present"
-"Longikaurin B","","","","","","","","","","","","","","","","","","","","Longikaurin B","","CC(=O)OCC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C","JMCGQPHJXFUMBU-WYJBFGOZSA-N","369902",NA,"PDBC38160","642099","Present"
-"Longimicin A","","","","","","","","","","","","","","","","","","","","Longimicin A","","CCCCCCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCC(CC3=CC(OC3=O)C)O)O)O","JXPQTEZDMVYIHK-UOCXRWNNSA-N","393466",NA,"PDBC38161","695399","Present"
-"Longimicin D","","","","","","","","","","","","","","","","","","","","Longimicin D","","CCCCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCC(CCCCCCCC3=CC(OC3=O)C)O)O)O","FOSMCUOHRDBFRX-UOCXRWNNSA-N","393467",NA,"PDBC38162","695400","Present"
-"Loratadine","","","","","","","","","","","","","","","","","","","","claritin","","CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1","JCCNYMKQOSZNPW-UHFFFAOYSA-N","3957",NA,"PDBC38163","721075","Present"
-"Loxothyrin A","","","","","","","","","","","","","","","","","","","","Loxothyrin A","","CC(=O)OCC1(CCC(C2(C1C=O)COC(=O)C34C2C(CC(C3)C(=C)C4=O)O)OC(=O)C)C","DESXTEYYECQGPC-METYIPFGSA-N","6712389",NA,"PDBC38164","679560","Present"
-"Lucanthone hydrochloride","","","","","","","","","","","","","","","","","","","","Lucanthone Hydrochloride","","CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl","LAOOXBLMIJHMFO-UHFFFAOYSA-N","11054",NA,"PDBC38165","14574","Present"
-"Lunacrine","","","","","","","","","","","","","","","","","","","","Lunacrine","","CC(C)C1CC2=C(O1)N(C3=C(C2=O)C=CC=C3OC)C","FMEKJMQGMONLTQ-UHFFFAOYSA-N","96511",NA,"PDBC38166","77152","Present"
-"Lupane-3.beta.,20-diol","","","","","","","","","","","","","","","","","","","","Lupane-3.beta.,20-diol","","CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4C(CC5)C(C)(C)O)C)C)C)C","YDNYDUBBAZTLTQ-USJRMTBGSA-N","404317",NA,"PDBC38167","720499","Present"
-"Lupanine perchlorate","","","","","","","","","","","","","","","","","","","","LUPANINE PERCHLORATE","","C1CCN2CC3CC(C2C1)CN4C3CCCC4=O.OCl(=O)(=O)=O","DVZQTPMQQXAHSQ-UHFFFAOYSA-N","5351561",NA,"PDBC38168","59268","Present"
-"Lupene triol","","","","","","","","","","","","","","","","","","","","LUPENE TRIOL","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO","TWKNDDJHVQUEJF-UHFFFAOYSA-N","325735",NA,"PDBC38169","294921","Present"
-"Lupeol","","","","","","","","","","","","","","","","","","","","lupeol","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C","MQYXUWHLBZFQQO-QGTGJCAVSA-N","259846",NA,"PDBC38170","90487","Present"
-"Lupeol benzoate","","","","","","","","","","","","","","","","","","","","Lupeol benzoate","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6)C)C","GGGPJWXHMZSCEW-WEZIXBNWSA-N","219629",NA,"PDBC38171","43869","Present"
-"Lupinine ether m-aminophenol","","","","","","","","","","","","","","","","","","","","Lupinine ether m-aminophenol","","C1CCN2CCCC(C2C1)COC3=CC=CC(=C3)N","HDXSSQBGRXLIOW-UHFFFAOYSA-N","389441",NA,"PDBC38172","685534","Present"
-"Lupinine, o-methoxybenzoic acid","","","","","","","","","","","","","","","","","","","","Lupinine, o-methoxybenzoic acid","","COC1=CC=CC=C1C(=O)OCC2CCCN3C2CCCC3","AXUGOKFRYJOWGL-UHFFFAOYSA-N","4300598",NA,"PDBC38173","685529","Present"
-"Lurbinectedin","","","","","","","","","","","","","","","","","","","","Lurbinectedin","","CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O","YDDMIZRDDREKEP-HWTBNCOESA-N","57327016",NA,"PDBC38174","826275","Present"
-"Luteolin 4'-rutinoside","","","","","","","","","","","","","","","","","","","","Luteolin 4'-rutinoside","","CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)C4CC(=O)C5=C(C=C(C=C5O4)O)O)O)O)O)O)O)O)O","DIRNQHAYLLOPKK-UHFFFAOYSA-N","378305",NA,"PDBC38175","660309","Present"
-"Luteolin 7-galactoside","","","","","","","","","","","","","","","","","","","","NSC700145","","C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O","PEFNSGRTCBGNAN-UHFFFAOYSA-N","5291488",NA,"PDBC38176","700145","Present"
-"Luteoskyrin","","","","","","","","","","","","","","","","","","","","luteoskyrin","","CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O","FAZDYVMEXQHRLI-UHFFFAOYSA-N","30840",NA,"PDBC38177","160879","Present"
-"Lychnophoic acid","","","","","","","","","","","","","","","","","","","","Lychnophoic acid","","CC1(CC2C1CCC(=CCCC2=C)C(=O)O)C","NXPSZVSYBXSYPZ-YCBFNFSOSA-N","5459294",NA,"PDBC38178","689859","Present"
-"Lychnopholide","","","","","","","","","","","","","","","","","","","","Lychnopholide","","CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=CC3C1C(=C)C(=O)O3)C)C","QATUWZPYBIHFFR-VYZJIMGLSA-N","54608207",NA,"PDBC38179","669145","Present"
-"Lycobetaine chloride","","","","","","","","","","","","","","","","","","","","LYCOBETAINE","","C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4.[Cl-]","FYVINXPNJCVJEV-UHFFFAOYSA-N","5351323",NA,"PDBC38180","338259","Present"
-"Lymphosarcin","","","","","","","","","","","","","","","","","","","","2,4-Quinazolinediamine, 5-chloro-6-[[(3,4-dichlorophenyl...","","C1=CC(=C(C=C1NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl)Cl)Cl","KBKJXVMKCWBZLB-UHFFFAOYSA-N","308111",NA,"PDBC38181","208652","Present"
-"Lyn-IN-1","","","","","","","","","","","","","","","","","","","","NSC773263","","CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCC(C3)N(C)C)C(F)(F)F)NC4=NC=C(C=N4)C5=CN=CN=C5","ZOPBZHLJXQAQON-VWLOTQADSA-N","24853523",NA,"PDBC38182","773263","Present"
-"M-232","","","","","","","","","","","","","","","","","","","","M-232","","COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCCCCC(=O)NO","AXUYKQYDXYCOFL-HNNXBMFYSA-N","403374",NA,"PDBC38183","718170","Present"
-"M-Azidopyrimethamine","","","","","","","","","","","","","","","","","","","","M-Azidopyrimethamine","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=[N+]=[N-].CCS(=O)(=O)O","BZCOWENGBZUNOI-UHFFFAOYSA-N","343097",NA,"PDBC38184","382050","Present"
-"M0Q5HHK6RW","","","","","","","","","","","","","","","","","","","","M0Q5HHK6RW","","CCNC1=NC2=C(S1)N(C(=O)N(C2=O)C)C","VJTLGDOQLMJAIT-UHFFFAOYSA-N","238211",NA,"PDBC38185","42491","Present"
-"M2698","","","","","","","","","","","","","","","","","","","","M2698","","C1CN(C1)CC(C2=CC(=C(C=C2)Cl)C(F)(F)F)NC3=NC=NC4=C3C=CC=C4C(=O)N","HXAUJHZZPCBFPN-QGZVFWFLSA-N","89808643",NA,"PDBC38186","795142","Present"
-"MACBECIN II","","","","","","","","","","","","","","","","","","","","MACBECIN II","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=CC(=C2O)C1OC)O)C)C)OC(=O)N)C)C)OC)OC","SVSFCSOFEPJFSF-FOKZELFKSA-N","24199492",NA,"PDBC38187","330500","Present"
-"MASTOPARAN","","","","","","","","","","","","","","","","","","","","MASTOPARAN","","CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)N)N","MASXKPLGZRMBJF-UHFFFAOYSA-N","4016",NA,"PDBC38188","351907","Present"
-"MAZ-85","","","","","","","","","","","","","","","","","","","","MAZ-85","","C1C(CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O)O","NBNAJQIHKIWRPS-UHFFFAOYSA-N","384077",NA,"PDBC38189","673299","Present"
-"MB1-29","","","","","","","","","","","","","","","","","","","","MB1-29","","C1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)O)C(F)(F)F","LMBRUTDBWLTRCS-UHFFFAOYSA-N","121352591",NA,"PDBC38190","790385","Present"
-"MCS-663","","","","","","","","","","","","","","","","","","","","MCS-663","","CC(=O)NC(CCCNC(=O)N(C)N=O)C(=O)NCC1=CC=CC=C1","HPNPWVFCBNWWPD-UHFFFAOYSA-N","370439",NA,"PDBC38191","643535","Present"
-"MCS-664","","","","","","","","","","","","","","","","","","","","MCS-664","","CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(C)N=O","KKPMREIERHDVFX-UHFFFAOYSA-N","370440",NA,"PDBC38192","643536","Present"
-"MCS-665","","","","","","","","","","","","","","","","","","","","MCS-665","","CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)N(C)N=O)C(=O)NCC2=CC=CC=C2","QSHJJUVAJQXCIT-UHFFFAOYSA-N","370441",NA,"PDBC38193","643537","Present"
-"MCS-669","","","","","","","","","","","","","","","","","","","","MCS-669","","CC(=O)NC(CCCCNC(=O)N(C)N=O)C(=O)NCC1=CC=CC=C1","DLXWYGPTFWVDPU-UHFFFAOYSA-N","370445",NA,"PDBC38194","643541","Present"
-"MCS-670","","","","","","","","","","","","","","","","","","","","MCS-670","","CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(C)N=O","PUFIBAHYLNBWJV-UHFFFAOYSA-N","370446",NA,"PDBC38195","643542","Present"
-"MCS-671","","","","","","","","","","","","","","","","","","","","MCS-671","","CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)N(C)N=O)C(=O)NCC2=CC=CC=C2","AXBZTAHDISJXOL-UHFFFAOYSA-N","370447",NA,"PDBC38196","643543","Present"
-"MCS-672","","","","","","","","","","","","","","","","","","","","MCS-672","","CC(=O)NC(CCCNC(=O)NCC=C)C(=O)NCC1=CC=CC=C1","SOSGEVLLRYJZKW-UHFFFAOYSA-N","370683",NA,"PDBC38197","644070","Present"
-"MCS-675","","","","","","","","","","","","","","","","","","","","MCS-675","","CC(=O)NC(CCCNC(=O)N(CC=C)N=O)C(=O)NCC1=CC=CC=C1","JARIZQCIPSZURJ-UHFFFAOYSA-N","370686",NA,"PDBC38198","644073","Present"
-"MCS-676","","","","","","","","","","","","","","","","","","","","MCS-676","","CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(CC=C)N=O","FZYQPCWPPYPCAN-UHFFFAOYSA-N","370687",NA,"PDBC38199","644074","Present"
-"MCS-677","","","","","","","","","","","","","","","","","","","","MCS-677","","CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)N(CC=C)N=O)C(=O)NCC2=CC=CC=C2","XPIGKGDGEODQOI-UHFFFAOYSA-N","370688",NA,"PDBC38200","644075","Present"
-"MCS-678","","","","","","","","","","","","","","","","","","","","MCS-678","","CC(=O)NC(CCCCNC(=O)NCC=C)C(=O)NCC1=CC=CC=C1","SPHMGBXEEHIWKH-UHFFFAOYSA-N","370689",NA,"PDBC38201","644076","Present"
-"MCS-681","","","","","","","","","","","","","","","","","","","","MCS-681","","CC(=O)NC(CCCCNC(=O)N(CC=C)N=O)C(=O)NCC1=CC=CC=C1","NYJRGGMIIZJDLE-UHFFFAOYSA-N","370692",NA,"PDBC38202","644079","Present"
-"MCS-682","","","","","","","","","","","","","","","","","","","","MCS-682","","CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(CC=C)N=O","BJOIOOQNCUHQNP-UHFFFAOYSA-N","370693",NA,"PDBC38203","644080","Present"
-"MCS-683","","","","","","","","","","","","","","","","","","","","MCS-683","","CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)N(CC=C)N=O)C(=O)NCC2=CC=CC=C2","CYIYUUGKMBIITI-UHFFFAOYSA-N","370694",NA,"PDBC38204","644081","Present"
-"MCS-687","","","","","","","","","","","","","","","","","","","","MCS-687","","CC(=O)NC(CCCNC(=O)N(CCCl)N=O)C(=O)NCC1=CC=CC=C1","NYLLPNYPEUPHGG-UHFFFAOYSA-N","371060",NA,"PDBC38205","644959","Present"
-"MCS-688","","","","","","","","","","","","","","","","","","","","MCS-688","","CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(CCCl)N=O","MFPSFAAJUFMIGH-UHFFFAOYSA-N","371061",NA,"PDBC38206","644960","Present"
-"MCS-689","","","","","","","","","","","","","","","","","","","","MCS-689","","CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)N(CCCl)N=O)C(=O)NCC2=CC=CC=C2","NLPSZLLIPMXARH-UHFFFAOYSA-N","371062",NA,"PDBC38207","644961","Present"
-"MCS-693","","","","","","","","","","","","","","","","","","","","MCS-693","","CC(=O)NC(CCCCNC(=O)N(CCCl)N=O)C(=O)NCC1=CC=CC=C1","AZRMPLRFNYIFMG-UHFFFAOYSA-N","371066",NA,"PDBC38208","644965","Present"
-"MCS-694","","","","","","","","","","","","","","","","","","","","MCS-694","","CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(CCCl)N=O","ASCDYYZLLAECJM-UHFFFAOYSA-N","371067",NA,"PDBC38209","644966","Present"
-"MDP-C857","","","","","","","","","","","","","","","","","","","","MDP-C857","","CC(C(=O)NC(CCC(=O)OCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","NFHCKNWFZUFPRO-JXMOYSMYSA-N","371930",NA,"PDBC38210","646616","Present"
-"ME-3-Deoxy-3(3ME3nourea)xylopyranosid","","","","","","","","","","","","","","","","","","","","Xylopyranoside, methyl 3-deoxy-3-(3-methyl-3-nitrosourei...","","CN(C(=O)NC1C(COC(C1O)OC)O)N=O","MKNRCXHOUKTKSK-UHFFFAOYSA-N","290267",NA,"PDBC38211","153365","Present"
-"MEGxp0_001815","","","","","","","","","","","","","","","","","","","","MEGxp0_001815","","CC(=CCCC(=CC(CC(=CC(=O)OC)C)O)C)C","WNWGVZFTVATBCH-IJFRVEDASA-N","5469451",NA,"PDBC38212","688245","Present"
-"MEGxp0_001935","","","","","","","","","","","","","","","","","","","","MEGxp0_001935","","CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5C(CC(C5=O)(C)C)C(C2OC(=O)C)(C4OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O","GVQACOLUOBLBLO-QLBLGQMTSA-N","11972628",NA,"PDBC38213","688233","Present"
-"MEK Inhibitor II","","","","","","","","","","","","","","","","","","","","MEK Inhibitor II","","C1CC(=O)N(C1=O)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","GYQSWJNGTWVFOL-UHFFFAOYSA-N","389898",NA,"PDBC38214","686549","Present"
-"MERBARONE","","","","","","","","","","","","","","","","","","","","MERBARONE","","C1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2=O)O","GFYRZTLCYQQVHZ-UHFFFAOYSA-N","3000671",NA,"PDBC38215","336628","Present"
-"METHYL CALCEIN BLUE,","","","","","","","","","","","","","","","","","","","","METHYL CALCEIN BLUE,","","CC1=CC(=O)OC2=C1C=C(C(=C2)O)CN(C)CC(=O)O","KRMRPQPGZHQMDD-UHFFFAOYSA-N","5384392",NA,"PDBC38216","328200","Present"
-"MI-219 (Mdm-2)","","","","","","","","","","","","","","","","","","","","MI-219","","CC(C)(C)CC1C2(C(C(N1)C(=O)NCCC(CO)O)C3=CC(=CC=C3)Cl)C4=CC(=C(C=C4NC2=O)Cl)F","UNXQGBMZYKHQCO-MVCZWWRHSA-N","121458548",NA,"PDBC38217","754360","Present"
-"MI-773","","","","","","","","","","","","","","","","","","","","MI-773","","CC(C)(C)CC1C2(C(C(N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O","IDKAKZRYYDCJDU-YJRDPZTCSA-N","52938482",NA,"PDBC38218","781009","Present"
-"MJO5","","","","","","","","","","","","","","","","","","","MJO5","","","","","",NA,"PDBC38219","","Absent"
-"MK-0429","","","","","","","","","","","","","","","","","","","","MK-0429","","COC1=NC=C(C=C1)C(CC(=O)O)N2CCN(C2=O)CCCC3=NC4=C(CCCN4)C=C3","HGFOOLONGOBCMP-IBGZPJMESA-N","9853559",NA,"PDBC38220","776790","Present"
-"MK-0731","","","","","","","","","","","","","","","","","","","","MK-0731","","CN1CCC(C(C1)F)N(C)C(=O)N2CC(=CC2(CO)C3=CC=CC=C3)C4=C(C=CC(=C4)F)F","MYBGWENAVMIGMM-GIFXNVAJSA-N","11655511",NA,"PDBC38221","780965","Present"
-"MK-2048","","","","","","","","","","","","","","","","","","","","MK-2048","","CCN1CC(N2C3=C(C(=C2C1=O)O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C","JSRREMIKIHJGAA-SNVBAGLBSA-N","90850586",NA,"PDBC38222","772889","Present"
-"MK-8033","","","","","","","","","","","","","","","","","","","","MK-8033","","CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)CS(=O)(=O)NCC5=CC=CC=N5)N=C2","VMJFTOSOFDEKTM-UHFFFAOYSA-N","45142457",NA,"PDBC38223","761692","Present"
-"ML-7-HCl","","","","","","","","","","","","","","","","","","","ML-7-HCl","","","","","",NA,"PDBC38224","","Absent"
-"ML148","","","","","","","","","","","","","","","","","","","","ML148","","CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCCCC4","YQNOQZALLOQMPY-UHFFFAOYSA-N","3243760",NA,"PDBC38225","767062","Present"
-"MLN-0905","","","","","","","","","","","","","","","","","","","","MLN-0905","","CC1=C(C=C(C=N1)CCCN(C)C)NC2=NC=C3CC(=S)NC4=C(C3=N2)C=CC(=C4)C(F)(F)F","CODBZFJPKJDNDT-UHFFFAOYSA-N","46235922",NA,"PDBC38226","767470","Present"
-"MLN120B","","","","","","","","","","","","","","","","","MLN120B","","","","","","","9929127",NA,"PDBC38227","","Absent"
-"MMP-9/MMP-13 Inhibitor I","","","","","","","","","","","","","","","","","","","","MMP-9/MMP-13 Inhibitor l CalBioChem Cat. No. 444252","","COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4","KXZZWRQJKQVMKR-UHFFFAOYSA-N","9983251",NA,"PDBC38228","727680","Present"
-"MMRNHFGQOYNUCE-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MMRNHFGQOYNUCE-UHFFFAOYSA-N","","CC1CN=C(S1)N(C)C(=O)NC2=CC(=C(C=C2)Cl)Cl","MMRNHFGQOYNUCE-UHFFFAOYSA-N","383612",NA,"PDBC38229","672030","Present"
-"MMUTYUKAZPZJBM-JXMROGBWSA-","","","","","","","","","","","","","","","","","","","","MMUTYUKAZPZJBM-JXMROGBWSA-","","CSC(=S)NN=CC1=CC=CC=C1","MMUTYUKAZPZJBM-JXMROGBWSA-N","6789504",NA,"PDBC38230","507478","Present"
-"MOGRRYAKLPVBAF-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MOGRRYAKLPVBAF-UHFFFAOYSA-N","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N(C)C","MOGRRYAKLPVBAF-UHFFFAOYSA-N","372768",NA,"PDBC38231","648388","Present"
-"MOU0F5C3SV","","","","","","","","","","","","","","","","","","","","MOU0F5C3SV","","C1=CC=C2C(=C1)C3=C(N2)N4C=CC=NC4=N3","NZCNBDIYEPILFR-UHFFFAOYSA-N","338889",NA,"PDBC38232","363437","Present"
-"MP 122-123 oC STOR DRI","","","","","","","","","","","","","","","","","","","","MP 122-123 oC STOR DRI","","C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=C(N=C3Cl)Cl","KTYYLJQCFXBJMC-UHFFFAOYSA-N","24205044",NA,"PDBC38233","734076","Present"
-"MP2Y265TQ7","","","","","","","","","","","","","","","","","","","","MP2Y265TQ7","","COC1=NC2=C(C=C1)NC3=NC4=CC=CC=C4N=C3S2","LQIKBHOZELDRRD-UHFFFAOYSA-N","339701",NA,"PDBC38234","367416","Present"
-"MPAVPPZRYGYOIC-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MPAVPPZRYGYOIC-UHFFFAOYSA-N","","CC1=CC(=C(S1)SC)C2=NSC(=O)O2","MPAVPPZRYGYOIC-UHFFFAOYSA-N","392966",NA,"PDBC38235","694209","Present"
-"MPDGNQLGWZNXNN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MPDGNQLGWZNXNN-UHFFFAOYSA-N","","CCOC(=O)C1C2CCCCC2C(=O)CC1=O","MPDGNQLGWZNXNN-UHFFFAOYSA-N","359294",NA,"PDBC38236","620038","Present"
-"MPVCARGCCXALMI-VWLOTQADSA-N","","","","","","","","","","","","","","","","","","","","MPVCARGCCXALMI-VWLOTQADSA-N","","C1CC(N(C1)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6)C(=O)O","MPVCARGCCXALMI-VWLOTQADSA-N","24205344",NA,"PDBC38237","735208","Present"
-"MQDHGUHGLZWJBB-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MQDHGUHGLZWJBB-UHFFFAOYSA-N","","CC1=CC(=O)NP(=O)(N1)OC2=CC=C(C=C2)Cl","MQDHGUHGLZWJBB-UHFFFAOYSA-N","373120",NA,"PDBC38238","649062","Present"
-"MRA-CN isomer a, a:b = 93:7","","","","","","","","","","","","","","","","","","","","mra-cn isomer a, a:b = 93:7","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6C#N)O","YIMDLWDNDGKDTJ-UHFFFAOYSA-N","100184",NA,"PDBC38239","639650","Present"
-"MRDOFJMDNBZJEF-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MRDOFJMDNBZJEF-UHFFFAOYSA-N","","CN(C)CCCN1C=NC2=C(C1=O)C=CC=N2","MRDOFJMDNBZJEF-UHFFFAOYSA-N","360822",NA,"PDBC38240","623239","Present"
-"MRTX-1257","","","","","","","","","","","","","","","","","","","","MRTX-1257","","CC1=C2C(=CC=C1)C=CC=C2N3CCC4=C(C3)N=C(N=C4N5CCN(C(C5)CC#N)C(=O)C=C)OCC6CCCN6C","YRYQLVCTQFBRLD-UIOOFZCWSA-N","134326084",NA,"PDBC38241","819558","Present"
-"MS-0005","","","","","","","","","","","","","","","","","","","","MS-0005","","C1=CC(=CC=C1CC(C(=O)O)NC(=O)CCl)F","OGLQHEOJWVIYAI-UHFFFAOYSA-N","321149",NA,"PDBC38242","270561","Present"
-"MS-11165","","","","","","","","","","","","","","","","","","","","MS-11165","","CCOC(=O)C1=C(N=C(S1)NC2=C(C=CC(=C2)Cl)Cl)C","FJHQIUZOOWHUMI-UHFFFAOYSA-N","365859",NA,"PDBC38243","633934","Present"
-"MS-1469","","","","","","","","","","","","","","","","","","","","MS-1469","","C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=S)S3","NGCBEAPNPMOYEM-RUDMXATFSA-N","1416279",NA,"PDBC38244","31059","Present"
-"MS-3607","","","","","","","","","","","","","","","","","","","","MS-3607","","CC1=CC2=C(C=C(C(=O)O2)C(=O)CC(=O)C)C(=O)O1","WPIHCINHLYKZDQ-UHFFFAOYSA-N","377796",NA,"PDBC38245","659409","Present"
-"MS-7612","","","","","","","","","","","","","","","","","","","","MS-7612","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OC","LITBNHAVTPKJAD-UHFFFAOYSA-N","3005349",NA,"PDBC38246","693340","Present"
-"MS-7848","","","","","","","","","","","","","","","","","","","","MS-7848","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]","JJVIWDDRURYYII-UHFFFAOYSA-N","3005348",NA,"PDBC38247","693339","Present"
-"MSA-2","","","","","","","","","","","","","","","","","","","","MSA-2","","COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC(=O)O)OC","APCLRHPWFCQIMG-UHFFFAOYSA-N","23035251",NA,"PDBC38248","828583","Present"
-"MSC-2530818","","","","","","","","","","","","","","","","","","","","MSC-2530818","","CC1=C2C=C(C=NC2=NN1)C(=O)N3CCCC3C4=CC=C(C=C4)Cl","ODRITQGYYWHQGM-INIZCTEOSA-N","118879529",NA,"PDBC38249","800890","Present"
-"MSC2360844","","","","","","","","","","","","","","","","","","","","MSC2360844","","C1COCCN1CC2=CC=C(C=C2)N3C4=C(CS(=O)(=O)C5=C4C=CC=C5F)C(=N3)C(=O)N6CCOCC6","NFHSJYKXENYICE-UHFFFAOYSA-N","66580799",NA,"PDBC38250","827886","Present"
-"MSIUONOOULABIO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MSIUONOOULABIO-UHFFFAOYSA-N","","C1CN=C(C2=CC3=C(C=C21)OCO3)C4=CC=CC=C4","MSIUONOOULABIO-UHFFFAOYSA-N","386847",NA,"PDBC38251","679581","Present"
-"MT5FY78YHR","","","","","","","","","","","","","","","","","","","","MT5FY78YHR","","C1CSC2=C(S1)C(=O)C3=CC=CC=C3C2=O","IVQJELKILULDFK-UHFFFAOYSA-N","244536",NA,"PDBC38252","55480","Present"
-"MTMSA","","","","","","","","","","","","","","","","","","","","MTMSA","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","ZXQJLBCJKMFMOL-HGXNGHEYSA-N","155816807",NA,"PDBC38253","780453","Present"
-"MUHFRIOWLDIZBF-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MUHFRIOWLDIZBF-UHFFFAOYSA-N","","CC1=[N+](C2=CC=CC=C2S1)CCC(=O)O.[I-]","MUHFRIOWLDIZBF-UHFFFAOYSA-N","5458361",NA,"PDBC38254","166363","Present"
-"MVIAFWFYXRNKDS-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MVIAFWFYXRNKDS-UHFFFAOYSA-N","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)COS(=O)(=O)C)OC)OC","MVIAFWFYXRNKDS-UHFFFAOYSA-N","393693",NA,"PDBC38255","696126","Present"
-"MWDYWHXATUVQTR-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MWDYWHXATUVQTR-UHFFFAOYSA-N","","CCCN1C(=O)C(C(=O)NC1=O)(CC)N2C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F","MWDYWHXATUVQTR-UHFFFAOYSA-N","24765667",NA,"PDBC38256","748724","Present"
-"MWJGINGFPOXZFR-PKNBQFBNSA-","","","","","","","","","","","","","","","","","","","","MWJGINGFPOXZFR-PKNBQFBNSA-","","CCSC(=O)C=C1CN(C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C","MWJGINGFPOXZFR-PKNBQFBNSA-N","5468313",NA,"PDBC38257","668366","Present"
-"MX2 hydrochloride","","","","","","","","","","","","","","","","","","","","MX2 HCl","","CCC1(CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)O)N6CCOCC6)O.Cl","ZDJRSUWWMAYYID-HATHGVPASA-N","5351347",NA,"PDBC38258","619003","Present"
-"MYQDQLNZLSSLJX-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","MYQDQLNZLSSLJX-UHFFFAOYSA-N","","C1=CC=C2C(=C(C(=O)N2)C3=NC4=CC=CC=C4N3)C=C1","MYQDQLNZLSSLJX-UHFFFAOYSA-N","370919",NA,"PDBC38259","644720","Present"
-"Ma'iliohydrin","","","","","","","","","","","","","","","","","","","","ma'iliohydrin","","CC1(C(C(CC(=C)C12CCC(C=C2)(CBr)O)O)Br)C","SGUDETSEOVUZCJ-MYIUUGPWSA-N","403768",NA,"PDBC38260","719212","Present"
-"Ma'ilione","","","","","","","","","","","","","","","","","","","","mailione","","CC1(C(C(CC(=C)C12CCC(=O)C=C2)O)Br)C","ZERRJERBGYWIKI-YRGRVCCFSA-N","396685",NA,"PDBC38261","703203","Present"
-"Macbecin I","","","","","","","","","","","","","","","","","","","","Macbecin I","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C=C(C1OC)C2=O)C)C)OC(=O)N)C)C)OC)OC","PLTGBUPHJAKFMA-FOKZELFKSA-N","24199491",NA,"PDBC38262","330499","Present"
-"Macrocalyxoformin B (Rabdosia diterpenoids)","","","","","","","","","","","","","","","","","","","","Macrocalyxoformin B (Rabdosia diterpenoids)","","CC12CCC3C4(C1C(OC2)OC4)C5CCC6CC5(C(=O)C6=C)C(=O)O3","QRZAIOQXVJRCBS-WRUDONHLSA-N","367617",NA,"PDBC38263","637459","Present"
-"Macrocarpamine","","","","","","","","","","","","","","","","","","","","Macrocarpamine","","CC=C1CN2CCC3C4=CC=CC=C4N5C3(C2CC1C5C(=O)OC)C=CC6=COCC7C6CC8C9=C(CC7N8C)C1=CC=CC=C1N9C","NOKYQXVIWFQLED-HXCLOJFDSA-N","5472477",NA,"PDBC38264","719264","Present"
-"Macrophilone A","","","","","","","","","","","","","","","","","","","","NSC791021","","CSC1=C(C(=O)C2=C(C1=N)C(=CN2)CO)N","LUJDHAGJNKEFEN-UHFFFAOYSA-N","137272841",NA,"PDBC38265","791021","Present"
-"Maculosidine","","","","","","","","","","","","","","","","","","","","makulozidin","","COC1=CC2=C(C(=C1)OC)N=C3C(=C2OC)C=CO3","SHAVHFJCSQWTFF-UHFFFAOYSA-N","68222",NA,"PDBC38266","83431","Present"
-"Magnamycin","","","","","","","","","","","","","","","","","","","","Carbomycin","","CC1CC(C(C(C(CC(=O)OC(CC2C(O2)C=CC1=O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O","FQVHOULQCKDUCY-LMCPXSJKSA-N","5351548",NA,"PDBC38267","51001","Present"
-"Magnesium;2-chloroethyl carbamate;chloromethane;methyl 4-(ethoxycarbonylamino)benzenesulfonate;oxourea;dichloride","","","","","","","","","","","","","","","","","","","","Magnesium;2-chloroethyl carbamate;chloromethane;methyl 4-(ethoxycarbonylamino)benzenesulfonate;oxourea;dichloride","","","","",NA,"PDBC38268","627641","Present"
-"Magnesium;5-(hydroxymethyl)-4-[6-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]hexylazaniumylidenemethyl]-2-methylpyridin-3-olate","","","","","","","","","","","","","","","","","","","","Magnesium;5-(hydroxymethyl)-4-[6-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]hexylazaniumylidenemethyl]-2-methylpyridin-3-olate","","CC1=NC=C(C(=C1[O-])C=[NH+]CCCCCC[NH+]=CC2=C(C(=NC=C2CO)C)[O-])CO.[Mg+2]","ALSSMZWSFWFONR-UHFFFAOYSA-N","3817648",NA,"PDBC38269","369205","Present"
-"Magnesium;5-(hydroxymethyl)-4-[[2-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]-4,5-dimethylphenyl]azaniumylidenemethyl]-2-methylpyridin-3-olate","","","","","","","","","","","","","","","","","","","","Magnesium;5-(hydroxymethyl)-4-[[2-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]-4,5-dimethylphenyl]azaniumylidenemethyl]-2-methylpyridin-3-olate","","CC1=CC(=C(C=C1C)[NH+]=CC2=C(C(=NC=C2CO)C)[O-])[NH+]=CC3=C(C(=NC=C3CO)C)[O-].[Mg+2]","DQWCGRAFQMGNJY-UHFFFAOYSA-N","3332004",NA,"PDBC38270","357594","Present"
-"Magnolignan H","","","","","","","","","","","","","","","","","","","","Magnolignan H","","C=CCC1=CC=C(C=C1)OC2=C(C3=C(C(C(O3)CO)C4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC=C)O)C(=C2)CC=C)O","YGUKSKZCBFPXIC-JHOUSYSJSA-N","373767",NA,"PDBC38271","650721","Present"
-"Magnolignan I","","","","","","","","","","","","","","","","","","","","Magnolignan I","","C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)C3C(C4=CC(=CC(=C4O3)C5=C(C=CC(=C5)CC=C)O)O)CO)O","JLQQJIWDVGIGMI-MLAKCTNMSA-N","373768",NA,"PDBC38272","650722","Present"
-"Magon","","","","","","","","","","","","","","","","","","","","Magon","","CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4O)C","JSSROCUNTZVPCI-UHFFFAOYSA-N","100814",NA,"PDBC38273","374898","Present"
-"Maiq I","","","","","","","","","","","","","","","","","","","","maiq i","","CC1=CN=C(C2=C1C(=CC=C2)N)C=NNC(=S)N.Cl","UBNPKGRKOMHQDD-NKBLJONXSA-N","20843053",NA,"PDBC38274","246112","Present"
-"Majoranolide","","","","","","","","","","","","","","","","","","","","Majoranolide","","CCCCCCCCCCCCCC=C1CC(COC1=O)O","KQDQXJXWFRWWFK-UMADGWCESA-N","5466806",NA,"PDBC38275","643442","Present"
-"Makomakina","","","","","","","","","","","","","","","","","","","","Makomakina","","CC1(C2CCC(=C)C(C2)C(N1)C(=O)C3=CNC4=CC=CC=C43)C","DVXHKPIVRABJGD-RWKZGTHUSA-N","385190",NA,"PDBC38276","676305","Present"
-"Makomakine, 9-dehydro- 8-oxo-","","","","","","","","","","","","","","","","","","","","Makomakine, 9-dehydro- 8-oxo-","","CC1(C2CCC(=C)C(C2)C(=N1)C(=O)C3=CNC4=CC=CC=C43)C","JASABNKRQAFMNO-UHFFFAOYSA-N","369151",NA,"PDBC38277","640738","Present"
-"Makonina","","","","","","","","","","","","","","","","","","","","Makonina","","CC1(C2CCC3(C(C2)C(=N1)C(=O)C4=C3NC5=CC=CC=C54)C)C","HPRJBYFFRMFXIN-MIJIDIFASA-N","385192",NA,"PDBC38278","676307","Present"
-"Malachite green oxalate","","","","","","","","","","","","","","","","","","","","Malachite green oxalate","","","","",NA,"PDBC38279","5550","Present"
-"Maleimide analog","","","","","","","","","","","","","","","","","","","","maleimide analog","","C1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C(=C(C3=O)SCCO)SCCO","RFZCIUONZTUZER-UHFFFAOYSA-N","11200445",NA,"PDBC38280","745735","Present"
-"Maleimide, N-(1-hydroxyacetonyl)-","","","","","","","","","","","","","","","","","","","","Maleimide, N-(1-hydroxyacetonyl)-","","CC(=O)C(N1C(=O)C=CC1=O)O","INYVLMMCYHZEIB-UHFFFAOYSA-N","286651",NA,"PDBC38281","145168","Present"
-"Maleimycin","","","","","","","","","","","","","","","","","","","","MALEIMYCIN","","C1CC2=C(C1O)C(=O)NC2=O","CTNINESNDXCWPR-UHFFFAOYSA-N","320354",NA,"PDBC38282","267588","Present"
-"Malformin A","","","","","","","","","","","","","","","","","","","","Malformin A","","CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O","RNCGDQLZIATDOU-UHFFFAOYSA-N","4005",NA,"PDBC38283","324646","Present"
-"Malononitrile, (2,3-dimethoxybenzylidene)-","","","","","","","","","","","","","","","","","","","","MCK100788","","COC1=CC=CC(=C1OC)C=C(C#N)C#N","QXIGVGQGZAURFQ-UHFFFAOYSA-N","37584",NA,"PDBC38284","659146","Present"
-"Malononitrile, (2-hydroxy-1-(naphthylmethylene))-","","","","","","","","","","","","","","","","","","","","MCK101562","","C1=CC=C2C(=C1)C=CC(=C2C=C(C#N)C#N)O","UCDYXURSVIOOCB-UHFFFAOYSA-N","58850",NA,"PDBC38285","663984","Present"
-"Malononitrile, (beta-pentylcinnamylidene)-","","","","","","","","","","","","","","","","","","","","Malononitrile, (.beta.-pentylcinnamylidene)-","","CCCCCC(=CC1=CC=CC=C1)C=C(C#N)C#N","XQOBTXSDVOTDQI-WJDWOHSUSA-N","6271803",NA,"PDBC38286","15078","Present"
-"Malononitrile, (m-nitrocinnamylidene)-","","","","","","","","","","","","","","","","","","","","Malononitrile, (m-nitrocinnamylidene)-","","C1=CC(=CC(=C1)[N+](=O)[O-])C=CC=C(C#N)C#N","SUUDBEARADVQJK-HNQUOIGGSA-N","5382806",NA,"PDBC38287","151950","Present"
-"Malononitrile,3-bis(phenylthio)-3-cyclohexen-1-yl]-, trans-","","","","","","","","","","","","","","","","","","","","Propanedinitrile,[2,3-bis(phenylthio)-3-cyclohexen-1-yl]...","","C1CC(C(C(=C1)SC2=CC=CC=C2)SC3=CC=CC=C3)C(C#N)C#N","JLYRTIDIMWSLGV-FPOVZHCZSA-N","393918",NA,"PDBC38288","696891","Present"
-"Maltol","","","","","","","","","","","","","","","","","","","","vetol","","CC1=C(C(=O)C=CO1)O","XPCTZQVDEJYUGT-UHFFFAOYSA-N","8369",NA,"PDBC38289","2829","Present"
-"Malvidin 3,5-diglucoside","","","","","","","","","","","","","","","","","","","","Malvin","","COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O.[Cl-]","RHKJIVJBQJXLBY-UHFFFAOYSA-N","5458954",NA,"PDBC38290","407312","Present"
-"Malyngamide S","","","","","","","","","","","","","","","","","","","","Malyngamide S","","CCCCCC(CC=CCCC(=O)NCC(=CCl)C1C(=O)C(C(=O)C(C1(C)O)C)(C)C)OC","YISCQTHSBLSJHQ-JLKVJSSTSA-N","643654",NA,"PDBC38291","721610","Present"
-"Mammea B/BA","","","","","","","","","","","","","","","","","","","","Isomammein","","CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O","LYJWLIYDNZREPC-UHFFFAOYSA-N","5489487",NA,"PDBC38292","781049","Present"
-"Mammeisin","","","","","","","","","","","","","","","","","","","","Mammeisin","","CC(C)CC(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O","JIFOADIANOIMSK-UHFFFAOYSA-N","5281419",NA,"PDBC38293","781046","Present"
-"Mandelonitrile-beta-gentiobioside","","","","","","","","","","","","","","","","","","","","NSC15780","","C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O","XUCIJNAGGSZNQT-VEXRWARGSA-N","656495",NA,"PDBC38294","15780","Present"
-"Manganese (1+), chloro[[2-hydroxybenzoic acid(2,6- pyrid...","","","","","","","","","","","","","","","","","","","","Manganese (1+), chloro[[2-hydroxybenzoic acid(2,6- pyrid...","","","","",NA,"PDBC38295","617566","Present"
-"Manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;acetate","","","","","","","","","","","","","","","","","","","","Manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;acetate","","CC(=O)[O-].C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2[O-])[O-].[Mn+3]","GOLNUTRBCDXKBP-UHFFFAOYSA-K","369985",NA,"PDBC38296","642507","Present"
-"Manganous [(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","Manganous [(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea","","","","",NA,"PDBC38297","613663","Present"
-"Manicol","","","","","","","","","","","","","","","","","","","","Manicol","","CC1=CC(=O)C(=C(C2=C1CC(CC2)C(=C)C)O)O","XZCVMNQLRNHDOD-SNVBAGLBSA-N","5351306",NA,"PDBC38298","310618","Present"
-"Maniladiol","","","","","","","","","","","","","","","","","","","","Maniladiol","","CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C)C","VLRYIIPJIVGFIV-QQSFYHFXSA-N","397934",NA,"PDBC38299","707002","Present"
-"Mansonone F","","","","","","","","","","","","","","","","","","","","Mansonone F","","CC1=C2C3=C(C=C1)C(=COC3=C(C(=O)C2=O)C)C","WSRLWSPFIOAYST-UHFFFAOYSA-N","94304",NA,"PDBC38300","113136","Present"
-"Manzamine A","","","","","","","","","","","","","","","","","","","","Manzamine A","","C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78.Cl","DIVWQABXFSWTEF-VERRYWJFSA-N","5468479",NA,"PDBC38301","670851","Present"
-"Mappain","","","","","","","","","","","","","","","","","","","","Mappain","","CC(=CCCC(=CCC1=C(C(=CC(=C1)C=CC2=CC(=C(C(=C2)O)CC=C(C)C)O)O)O)C)C","GJZKDVGLDGLPMB-ZVBRSKEYSA-N","5472227",NA,"PDBC38302","716997","Present"
-"Marasmic acid","","","","","","","","","","","","","","","","","","","","LACHNELLA FUNGUS","","CC1(CC2C=C(C34CC3(C2C1)C(=O)OC4O)C=O)C","BIUVCPLWWOLECJ-LIHVSQBMSA-N","330358",NA,"PDBC38303","318506","Present"
-"Marrubiin","","","","","","","","","","","","","","","","","","","","marrubin","","CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C","HQLLRHCTVDVUJB-OBHOOXMTSA-N","73401",NA,"PDBC38304","36693","Present"
-"Massoia lactone","","","","","","","","","","","","","","","","","","","","massoia lactone","","CCCCCC1CC=CC(=O)O1","NEDIAPMWNCQWNW-UHFFFAOYSA-N","39914",NA,"PDBC38305","720841","Present"
-"Matsutakeside I","","","","","","","","","","","","","","","","","","","","Matsutakeside I","","COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)CCCOC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O","JKLGFSBPEZTFTQ-UHFFFAOYSA-N","353479",NA,"PDBC38306","601904","Present"
-"Mauve","","","","","","","","","","","","","","","","","","","","mauve","","CC1=CC=C(C=C1)[N+]2=C3C=C(C(=CC3=NC4=C2C=C(C(=C4)C)N)C)NC5=CC=CC=C5","GZIROVCEVALULC-UHFFFAOYSA-O","407617",NA,"PDBC38307","7801","Present"
-"Mavelertinib","","","","","","","","","","","","","","","","","","","","PF-06747775","","CN1C=C(C(=N1)OC)NC2=C3C(=NC(=N2)N4CC(C(C4)F)NC(=O)C=C)N(C=N3)C","JYIUNVOCEFIUIU-GHMZBOCLSA-N","91668194",NA,"PDBC38308","788365","Present"
-"Maxima isoflavone A","","","","","","","","","","","","","","","","","","","","Maxima isoflavone A","","C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC5=C4OCO5","HDEHMKSXXSBSHM-UHFFFAOYSA-N","343079",NA,"PDBC38309","382026","Present"
-"Maxima isoflavone C","","","","","","","","","","","","","","","","","","","","Maxima isoflavone C","","CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3OC)OCO4)C","HIMSTRVEHVBQCS-UHFFFAOYSA-N","343080",NA,"PDBC38310","382027","Present"
-"Maxima isoflavone D","","","","","","","","","","","","","","","","","","","","Maxima isoflavone D","","COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3OCO4)OC","BURSEYYMJTXRQK-UHFFFAOYSA-N","343081",NA,"PDBC38311","382028","Present"
-"Maxima isoflavone G","","","","","","","","","","","","","","","","","","","","Maxima isoflavone G","","COC1=CC2=C(C=C1C3=COC4=C(C3=O)C=CC(=C4)O)OCO2","BHIIMRBCELSOFD-UHFFFAOYSA-N","5385091",NA,"PDBC38312","382029","Present"
-"Maybridge1_000249","","","","","","","","","","","","","","","","","","","","Maybridge1_000249","","C=C1C2(CCCCC2)N(C(=NC3=CC=CC=C3Cl)S1)C(=O)C4=C(C5=CC=CC=C5S4)Cl","CWFIQSRJYAZENI-UHFFFAOYSA-N","329165",NA,"PDBC38313","310326","Present"
-"Maybridge1_001525","","","","","","","","","","","","","","","","","","","","Maybridge1_001525","","CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C","DFSHSSAUZJFPSK-UYRXBGFRSA-N","1070531",NA,"PDBC38314","691428","Present"
-"Maybridge1_002335","","","","","","","","","","","","","","","","","","","","Maybridge1_002335","","CC1(CN=C(S1)NC2=CC=C(C=C2)Cl)C","YMJAZVKEBYDZED-UHFFFAOYSA-N","389114",NA,"PDBC38315","684799","Present"
-"Maybridge1_002377","","","","","","","","","","","","","","","","","","","","Maybridge1_002377","","CC1CN=C(S1)NC2=CC(=C(C=C2)F)Cl","XKGMIEHXKWRLDW-UHFFFAOYSA-N","383599",NA,"PDBC38316","672017","Present"
-"Maybridge1_002379","","","","","","","","","","","","","","","","","","","","Maybridge1_002379","","CC1(CN=C(S1)NC2=CC=C(C=C2)F)C","CUESOELOZGCFPS-UHFFFAOYSA-N","389116",NA,"PDBC38317","684801","Present"
-"Maybridge1_002421","","","","","","","","","","","","","","","","","","","","Maybridge1_002421","","CC1CN=C(S1)NC2=CC=CC(=C2)C(F)(F)F","DCKNPUPMYYQONS-UHFFFAOYSA-N","383597",NA,"PDBC38318","672015","Present"
-"Maybridge1_002423","","","","","","","","","","","","","","","","","","","","Maybridge1_002423","","CC1(CN=C(S1)NC2=CC=CC(=C2)C(F)(F)F)C","NICNMRAINRVNPL-UHFFFAOYSA-N","389117",NA,"PDBC38319","684802","Present"
-"Maybridge1_002539","","","","","","","","","","","","","","","","","","","","Maybridge1_002539","","C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O","XWXHRRJHPBWPLP-UHFFFAOYSA-N","366626",NA,"PDBC38320","635301","Present"
-"Maybridge1_002639","","","","","","","","","","","","","","","","","","","","Maybridge1_002639","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)NC(=S)NC2=O","JYGYCTPQBYBIMS-UHFFFAOYSA-N","727446",NA,"PDBC38321","684573","Present"
-"Maybridge1_005538","","","","","","","","","","","","","","","","","","","","Maybridge1_005538","","C1CN(CCN1CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O","KQQYIVHXXRJYEA-UHFFFAOYSA-N","364088",NA,"PDBC38322","629729","Present"
-"Maybridge1_006049","","","","","","","","","","","","","","","","","","","","Maybridge1_006049","","C1CN=C(SSC(=N1)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","GEEKFBAAYZAMAY-UHFFFAOYSA-N","328934",NA,"PDBC38323","309898","Present"
-"Maybridge1_006365","","","","","","","","","","","","","","","","","","","","Maybridge1_006365","","CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C","QMFBVGUFEGVPNG-UHFFFAOYSA-N","2737412",NA,"PDBC38324","643910","Present"
-"Maybridge1_007893","","","","","","","","","","","","","","","","","","","","Maybridge1_007893","","C1=CSC(=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=CS3","GWMWXYPTUCHUAT-UHFFFAOYSA-N","376718",NA,"PDBC38325","657764","Present"
-"Maybridge3_000518","","","","","","","","","","","","","","","","","","","","Maybridge3_000518","","CC1(CN=C(S1)NC2=CC(=C(C=C2)F)Cl)C","IAYUATXCCKOIKM-UHFFFAOYSA-N","389115",NA,"PDBC38326","684800","Present"
-"Maybridge3_000858","","","","","","","","","","","","","","","","","","","","Maybridge3_000858","","CC1=CC2=C(C=C1)N3C=CC=C3C(N2)C4=CC=C(C=C4)C(=O)O","LYIUGKBSPWTUGL-UHFFFAOYSA-N","330505",NA,"PDBC38327","319440","Present"
-"Maybridge3_000976","","","","","","","","","","","","","","","","","","","","Maybridge3_000976","","CC1=CC(=CC=C1)NC2=C(C(=O)NC(S2)C3=CC(=C(C=C3)O)OC)C#N","QJPDWHBKLXQBSR-UHFFFAOYSA-N","330500",NA,"PDBC38328","319435","Present"
-"Maybridge3_002468","","","","","","","","","","","","","","","","","","","","Maybridge3_002468","","CCOC(=O)C1CCCC2=C1C(=C(S2)N)C#N","BHUBUJRJDMFTKE-UHFFFAOYSA-N","383365",NA,"PDBC38329","671479","Present"
-"Maybridge3_002512","","","","","","","","","","","","","","","","","","","","Maybridge3_002512","","CCOC(=O)C1CCCC2=C1C(=C(S2)N)C(=O)OCC","FEIDYTOTIZOYOH-UHFFFAOYSA-N","383364",NA,"PDBC38330","671478","Present"
-"Maybridge3_002921","","","","","","","","","","","","","","","","","","","","Maybridge3_002921","","C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CO3","UWZPYKADXQTBEN-UHFFFAOYSA-N","368865",NA,"PDBC38331","640204","Present"
-"Maybridge3_003455","","","","","","","","","","","","","","","","","","","","Maybridge3_003455","","CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)C(C)(C)C","RVNYCWOXUCOSMF-UHFFFAOYSA-N","339730",NA,"PDBC38332","367474","Present"
-"Maybridge3_004420","","","","","","","","","","","","","","","","","","","","Maybridge3_004420","","CC1=CC=CC=C1NC2CC(NC(C2)(C)C)(C)C","SNRYQVKFLGRBFH-UHFFFAOYSA-N","365207",NA,"PDBC38333","632535","Present"
-"Maybridge3_004599","","","","","","","","","","","","","","","","","","","","Maybridge3_004599","","CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)N(C)C","JDSSHYLDLJBBRE-UHFFFAOYSA-N","330531",NA,"PDBC38334","319467","Present"
-"Maybridge3_005292","","","","","","","","","","","","","","","","","","","","Maybridge3_005292","","CC1CN=C(S1)NC2=C(C=C(C=C2)F)F","RKBGXRCEDPWMPG-UHFFFAOYSA-N","383602",NA,"PDBC38335","672020","Present"
-"Maybridge3_005684","","","","","","","","","","","","","","","","","","","","Maybridge3_005684","","CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2","INMWPCXDYPLTBA-UHFFFAOYSA-N","385601",NA,"PDBC38336","676898","Present"
-"Maybridge3_005893","","","","","","","","","","","","","","","","","","","","Maybridge3_005893","","C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)F)C2=O","MBHDCJLDOHEKIU-UHFFFAOYSA-N","369408",NA,"PDBC38337","641178","Present"
-"Maybridge3_007037","","","","","","","","","","","","","","","","","","","","Maybridge3_007037","","C=CCSC1=NNC(=N1)C2=CC=CS2","RPRQETFEPUYFMP-UHFFFAOYSA-N","339578",NA,"PDBC38338","366807","Present"
-"Maybridge4_000689","","","","","","","","","","","","","","","","","","","","Maybridge4_000689","","COC1=CC=C(C=C1)CSC2=C(C(=O)NC3(S2)CCCCC3)C#N","SWHYBQCQUXPGBH-UHFFFAOYSA-N","330499",NA,"PDBC38339","319434","Present"
-"Maybridge4_001598","","","","","","","","","","","","","","","","","","","","Maybridge4_001598","","C1=CC=C(C=C1)N2C3=C(C(=O)NC=N3)SC2=S","HRMVDGHIMMJLMB-UHFFFAOYSA-N","135408962",NA,"PDBC38340","650579","Present"
-"Maybridge4_001612","","","","","","","","","","","","","","","","","","","","Maybridge4_001612","","C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=CS4)C(=O)N(C2=S)C5=CC=CC=C5","QOVAEVHNKFJWQC-UHFFFAOYSA-N","383088",NA,"PDBC38341","671132","Present"
-"Maybridge4_001815","","","","","","","","","","","","","","","","","","","","Maybridge4_001815","","CC1=C2CCN(C2=C3C=C(C=CC3=N1)F)C4=CC=C(C=C4)Cl","FXTBQKMGRYHTIP-UHFFFAOYSA-N","380608",NA,"PDBC38342","666283","Present"
-"Maybridge4_001856","","","","","","","","","","","","","","","","","","","","Maybridge4_001856","","CNC1=C2C3=C(CCCC3)SC2=NC(=S)N1","IQZRPBALXJYHFN-UHFFFAOYSA-N","2816490",NA,"PDBC38343","679230","Present"
-"Maybridge4_001900","","","","","","","","","","","","","","","","","","","","Maybridge4_001900","","CC1=C2CCSC2=C3C=C(C=C(C3=N1)OC)OC","ABSJLYWRPOXZIY-UHFFFAOYSA-N","379745",NA,"PDBC38344","664717","Present"
-"Maybridge4_002033","","","","","","","","","","","","","","","","","","","","Maybridge4_002033","","CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O","LNWRUKZWSFVFSX-UHFFFAOYSA-N","376041",NA,"PDBC38345","656440","Present"
-"Maybridge4_002054","","","","","","","","","","","","","","","","","","","","Maybridge4_002054","","CC(C(=O)O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3","RJPJBRVAOGKWOD-UHFFFAOYSA-N","363669",NA,"PDBC38346","628742","Present"
-"Maybridge4_002080","","","","","","","","","","","","","","","","","","","","Maybridge4_002080","","COC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC5=C4CCCC5","LVMZFUMHOBBXHC-UHFFFAOYSA-N","384936",NA,"PDBC38347","675758","Present"
-"Maybridge4_003194","","","","","","","","","","","","","","","","","","","","Maybridge4_003194","","CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)O","CWHFQHOJPCJDAM-UHFFFAOYSA-N","383577",NA,"PDBC38348","671995","Present"
-"Maybridge4_004375","","","","","","","","","","","","","","","","","","","","Maybridge4_004375","","C1=CC(=CC=C1CSC2=NNC(=N2)C(F)(F)F)Cl","FDZCLGROJMHINZ-UHFFFAOYSA-N","339583",NA,"PDBC38349","366812","Present"
-"Mayfoline","","","","","","","","","","","","","","","","","","","","Mayfoline","","C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)O","QGMXLNCOBCGXMO-HNNXBMFYSA-N","340416",NA,"PDBC38350","370988","Present"
-"Maytansin","","","","","","","","","","","","","","","","","","","","MAYTANSINE","","CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)C)C)C)OC)(NC(=O)O2)O","WKPWGQKGSOKKOO-WLNOZUDTSA-N","54604312",NA,"PDBC38351","153858","Present"
-"Mazethramycin B","","","","","","","","","","","","","","","","","","","","Mazethramycin B","","CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)OC)C=CC(=O)NC)O","DBZISAXLVWRHPS-FNORWQNLSA-N","5897379",NA,"PDBC38352","326670","Present"
-"Mdl 19152","","","","","","","","","","","","","","","","","","","","Mdl 19152","","CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CC2=CC=CC=C2","YLMGINPOMBXUKT-BQYQJAHWSA-N","6105995",NA,"PDBC38353","239749","Present"
-"MeTHHF disodium","","","","","","","","","","","","","","","","","","","","Emofolin Sodium","","CN1C(CNC2=C1C(=O)NC(=N2)N)CCNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","KCPBTDJBDDCNQE-UHFFFAOYSA-N","135488934",NA,"PDBC38354","139490","Present"
-"Mebetide","","","","","","","","","","","","","","","","","","","","NSC634166","","CC1=NS(=O)(=O)C2=CC=CC=C2N1","FDWRKMPNEIXNOE-UHFFFAOYSA-N","67760",NA,"PDBC38355","634166","Present"
-"Meclocycline sulfosalicylate","","","","","","","","","","","","","","","","","","","","meclocycline sulfosalicylate (usan)","","CN(C)C1C2C(C3C(=C)C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O","WVJKUGVVYXCLFV-CCHMMTNSSA-N","54676538",NA,"PDBC38356","757831","Present"
-"Meclodium","","","","","","","","","","","","","","","","","","","","Meclofenamate","","CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl","SBDNJUWAMKYJOX-UHFFFAOYSA-M","4036",NA,"PDBC38357","755402","Present"
-"Meclofenoxate hydrochloride","","","","","","","","","","","","","","","","","","","","acefen","","CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl.Cl","FIVHOHCAXWQPGC-UHFFFAOYSA-N","19379",NA,"PDBC38358","113619","Present"
-"Medicagenic acid","","","","","","","","","","","","","","","","","","","","Medicagenic acid","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1)C)C(=O)O)C","IDGXIXSKISLYAC-WNTKNEGGSA-N","65048",NA,"PDBC38359","382024","Present"
-"Medicarpin","","","","","","","","","","","","","","","","","","","","medicarpin","","COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O","NSRJSISNDPOJOP-BBRMVZONSA-N","336327",NA,"PDBC38360","350085","Present"
-"Mefloquine Hydrochloride","","","","","","","","","","","","","","","","","","","","Mefloquine Hydrochloride","","C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl","WESWYMRNZNDGBX-SBKWZQTDSA-N","18660697",NA,"PDBC38361","157387","Present"
-"Megaphone acetate","","","","","","","","","","","","","","","","","","","","Megaphone acetate","","CC(C(C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C)C2(CC(CCC2=O)OC)CC=C","CNQSJNINBFUEMD-YTMXOLSWSA-N","370911",NA,"PDBC38362","644649","Present"
-"Megathyrin A","","","","","","","","","","","","","","","","","","","","Megathyrin A","","CC1(CCC(C23C1CC(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C","VPZCKRKZFRCZMX-FINWQXJNSA-N","6712362",NA,"PDBC38363","676432","Present"
-"Megazol","","","","","","","","","","","","","","","","","","","","nitroimidazole thiadiazole","","CN1C(=CN=C1C2=NN=C(S2)N)[N+](=O)[O-]","VDZZTXBMKRQEPO-UHFFFAOYSA-N","29698",NA,"PDBC38364","265726","Present"
-"Megestrol acetate","","","","","","","","","","","","","","","","","","","","Megestrol acetate","","CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C","RQZAXGRLVPAYTJ-GQFGMJRRSA-N","11683",NA,"PDBC38365","71423","Present"
-"Melampodin","","","","","","","","","","","","","","","","","","","","Melampodin","","CC1C(O1)(C)C(=O)OC2C3C(C=C(C4C(O4)C=C(C2O)C(=O)OC)C)OC(=O)C3=C","ZFFQDPLDTMMAKO-JMFBPXTISA-N","54612270",NA,"PDBC38366","155619","Present"
-"Melampodin B acetate","","","","","","","","","","","","","","","","","","","","Melampodin B acetate","","CC(=O)OCC1=CC2C(C3C=C(C(CC1)OC(=O)C)C(=O)O3)C(=C)C(=O)O2","OGRMZEFFIFTCNB-SDQBBNPISA-N","5359212",NA,"PDBC38367","302035","Present"
-"Melampodinin","","","","","","","","","","","","","","","","","","","","Melampodinin","","CC1=CC2C(C(C(C(=CC3C1O3)C(=O)OC)OC(=O)C)OC(=O)C(C)(C(C)OC(=O)C)O)C(=C)C(=O)O2","MMVDOOAKJHDAMB-BPNXTJCCSA-N","5359028",NA,"PDBC38368","294600","Present"
-"Melegestrol acetate","","","","","","","","","","","","","","","","","","","","melengestrol acetate (usan)","","CC1=CC2C(CCC3(C2CC(=C)C3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C","UDKABVSQKJNZBH-PQQMIVRBSA-N","45006159",NA,"PDBC38369","759233","Present"
-"Melibentin","","","","","","","","","","","","","","","","","","","","Melibentin","","COC1=C(C(=C(C2=C1C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC)OC","CRSVEURWRGBEIE-UHFFFAOYSA-N","386323",NA,"PDBC38370","678099","Present"
-"Melicopicine","","","","","","","","","","","","","","","","","","","","Melicopicine","","CN1C2=CC=CC=C2C(=O)C3=C1C(=C(C(=C3OC)OC)OC)OC","URPVDDXMEZAEJY-UHFFFAOYSA-N","101253",NA,"PDBC38371","402921","Present"
-"Melicopidine","","","","","","","","","","","","","","","","","","","","Melicopidine","","CN1C2=CC=CC=C2C(=O)C3=C1C(=C4C(=C3OC)OCO4)OC","TZZNUDMEMFBPQI-UHFFFAOYSA-N","68060",NA,"PDBC38372","34757","Present"
-"Melicopine","","","","","","","","","","","","","","","","","","","","Melicopine","","CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C(=C3OC)OC)OCO4","PEWWLIQAXYMMAN-UHFFFAOYSA-N","68433",NA,"PDBC38373","34758","Present"
-"Melisimplexin","","","","","","","","","","","","","","","","","","","","Melisimplexin","","COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)OC)OC","ATKXYPOHHYVHEQ-UHFFFAOYSA-N","386322",NA,"PDBC38374","678098","Present"
-"Melisimplin","","","","","","","","","","","","","","","","","","","","Melisimplin","","COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)O)OC","QRTSJZTUEHLBPF-UHFFFAOYSA-N","5466136",NA,"PDBC38375","678097","Present"
-"Meliternatin","","","","","","","","","","","","","","","","","","","","Meliternatin","","COC1=C2C(=CC3=C1OCO3)OC(=C(C2=O)OC)C4=CC5=C(C=C4)OCO5","FMZYQDFWORSVBZ-UHFFFAOYSA-N","386320",NA,"PDBC38376","678096","Present"
-"Meliternin","","","","","","","","","","","","","","","","","","","","Meliternix","","COC1=CC(=C(C2=C1C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC","OHFDXRKYUVNEDD-UHFFFAOYSA-N","386319",NA,"PDBC38377","678095","Present"
-"Melitracen hydrochloride","","","","","","","","","","","","","","","","","","","","thymeol hydrochloride","","CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C.Cl","RADLXCPDUXFGFF-UHFFFAOYSA-N","25381",NA,"PDBC38378","78229","Present"
-"Menisperine iodide","","","","","","","","","","","","","","","","","","","","menisperine iodide","","C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C.[I-]","HPIWMGFECDATDK-UQKRIMTDSA-N","24189461",NA,"PDBC38379","90558","Present"
-"Menoctone","","","","","","","","","","","","","","","","","","","","Menoctone","","C1CCC(CC1)CCCCCCCCC2=C(C3=CC=CC=C3C(=O)C2=O)O","JJMFNXJCDGGBEV-UHFFFAOYSA-N","26738",NA,"PDBC38380","103336","Present"
-"Mensacarcin","","","","","","","","","","","","","","","","","","","","Mensacarcin","","CC1C(C23C(=O)C4=C(C(C2(O3)C(C1(C(=O)C5C(O5)C)O)O)OC)C(=CC=C4)OC)O","WWNXYRCJJRRWAQ-ALCXHWRFSA-N","403671",NA,"PDBC38381","718798","Present"
-"Menthyl acetoacetate","","","","","","","","","","","","","","","","","","","","Menthyl acetoacetate","","CC1CCC(C(C1)OC(=O)CC(=O)C)C(C)C","QSVQIPXQOCAWHP-UHFFFAOYSA-N","102565",NA,"PDBC38382","620051","Present"
-"Mepacrine mustard dihydrochloride","","","","","","","","","","","","","","","","","","","","quinacrine mustard","","CC(CCCN(CCCl)CCCl)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl","GBQNIQYUTXKVHN-UHFFFAOYSA-N","24180972",NA,"PDBC38383","3424","Present"
-"Mequitazine","","","","","","","","","","","","","","","","","","","","virginan","","C1CN2CCC1C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53","HOKDBMAJZXIPGC-UHFFFAOYSA-N","4066",NA,"PDBC38384","303612","Present"
-"Mercaptoorotic acid","","","","","","","","","","","","","","","","","","","","Mercaptoorotic acid","","C1=C(NC(=S)NC1=O)C(=O)O","ISOQUWRYYNKKGX-UHFFFAOYSA-N","2724199",NA,"PDBC38385","39961","Present"
-"Mercaptopurine disulfide","","","","","","","","","","","","","","","","","","","","1H-Purine, 6,6'-dithiobis- (9CI)","","C1=NC2=C(N1)C(=NC=N2)SSC3=NC=NC4=C3NC=N4","ULNKLXSTZWVSJH-UHFFFAOYSA-N","471826",NA,"PDBC38386","77640","Present"
-"Mercuric chloride","","","","","","","","","","","","","","","","","","","","Mercuric Chloride","","Cl[Hg]Cl","LWJROJCJINYWOX-UHFFFAOYSA-L","24085",NA,"PDBC38387","353255","Present"
-"Mercury, (2-amino-1,9-dihydro-6H-purine-6-thionato-N(7),...","","","","","","","","","","","","","","","","","","","","Mercury, (2-amino-1,9-dihydro-6H-purine-6-thionato-N(7),...","","","","",NA,"PDBC38388","268879","Present"
-"Mercury, (2-hydroxy-5-nitrophenyl)(6-thioguanosinato-N(7...","","","","","","","","","","","","","","","","","","","","Mercury, (2-hydroxy-5-nitrophenyl)(6-thioguanosinato-N(7...","","","","",NA,"PDBC38389","321239","Present"
-"Mercury, (4-aminophenyl)(6-thioguanosinato-N7,S6)-","","","","","","","","","","","","","","","","","","","","Mercury, (4-aminophenyl)(6-thioguanosinato-N7,S6)-","","","","",NA,"PDBC38390","321237","Present"
-"Mercury, (acetyloxy)(pentamethylphenyl)-","","","","","","","","","","","","","","","","","","","","Mercury, (acetyloxy)(pentamethylphenyl)-","","CC1=C(C(=C(C(=C1C)C)[Hg]OC(=O)C)C)C","FOIVYARZYWJXBS-UHFFFAOYSA-M","16683786",NA,"PDBC38391","174176","Present"
-"Mercury, (p-carboxyphenyl)(purin-6-ylthio)-","","","","","","","","","","","","","","","","","","","","Benzoic acid, p-[(purin-6-ylthio)mercuri]-","","C1=CC(=CC=C1C(=O)O)[Hg]SC2=NC=NC3=C2NC=N3","ABJPEFQUUBDHMZ-UHFFFAOYSA-M","3246339",NA,"PDBC38392","92585","Present"
-"Mercury, bis(phenylethynyl)-","","","","","","","","","","","","","","","","","","","","mercuric phenylacetylide","","C1=CC=C(C=C1)C#C[Hg]C#CC2=CC=CC=C2","ZIOZGJASRISMBV-UHFFFAOYSA-N","426869",NA,"PDBC38393","203047","Present"
-"Mercury, chloro(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","p-anisylchloromercury","","COC1=CC=C(C=C1)[Hg]Cl","ODCJBHXFAFFNEW-UHFFFAOYSA-M","408835",NA,"PDBC38394","16239","Present"
-"Mercury, chloro-2-naphthalenyl-","","","","","","","","","","","","","","","","","","","","Mercury, chloro-2-naphthalenyl-","","C1=CC=C2C=C(C=CC2=C1)[Hg]Cl","JEWKITRCRXNBDK-UHFFFAOYSA-M","425433",NA,"PDBC38395","174163","Present"
-"Mercury, chloro[[4-(1,1-dimethylethyl)-1- nitrocyclohexy...","","","","","","","","","","","","","","","","","","","","Mercury, chloro[[4-(1,1-dimethylethyl)-1- nitrocyclohexy...","","","","",NA,"PDBC38396","623654","Present"
-"Mercury,5-diyldimethylene)bis[(octanoyloxy)-","","","","","","","","","","","","","","","","","","","","Mercury, (p-dioxane-2,5-diyldimethylene)bis[(octanoyloxy)-","","CCCCCCCC(=O)O[Hg]CC1COC(CO1)C[Hg]OC(=O)CCCCCCC","XCIGTABUQFDIRT-UHFFFAOYSA-L","16683657",NA,"PDBC38397","38186","Present"
-"Mercury;naphthalene-1,8-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","Mercury;naphthalene-1,8-dicarboxylic acid","","C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)C(=O)O.[Hg]","SHGOQYAHXCRJOQ-UHFFFAOYSA-N","24202090",NA,"PDBC38398","625635","Present"
-"Meridianin D","","","","","","","","","","","","","","","","","","","","Meridianin D","","C1=CC2=C(C=C1Br)NC=C2C3=NC(=NC=C3)N","VBPYLWZBNRFLEM-UHFFFAOYSA-N","401171",NA,"PDBC38399","714369","Present"
-"Meso-(1R,2S,4Z,6E,8S,9R,11Z,13E,15E,17E)-16,18-bis[(furan-2-ylmethyl)amino]-3,5,10,12,15,17-hexaaza-7,14-diazoniapentacyclo[7.5.2.22,8.02,6.09,13]octadeca-4,6,11,13,15,17-hexaene dichloride","","","","","","","","","","","","","","","","","","","","meso-(1R,2S,4Z,6E,8S,9R,11Z,13E,15E,17E)-16,18-bis[(fura...","","C1=COC(=C1)CNC2=NC3C45C(=NC(C26C(=N3)NC=N6)N=C4NCC7=CC=CO7)NC=N5.Cl","LUOUSHSUKGKEOC-WPVSFAKOSA-N","60148126",NA,"PDBC38400","753667","Present"
-"Meso-2, di hydrochloride","","","","","","","","","","","","","","","","","","","","meso-2,6-diaminopimely-(D)-methyl ester-(L)-L-alanyl-D-i...","","CC(C(=O)NC(CCC(=O)NCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)C(CCCC(C(=O)OC)N)N.Cl","BWTDSUFSCTWJNP-UHFFFAOYSA-N","54608851",NA,"PDBC38401","700253","Present"
-"Meso-2, dihydrochloride","","","","","","","","","","","","","","","","","","","","meso-2,6-diaminopimelyl-(D)-methyl ester-(L)-L-alanyl-D-...","","CC(C(=O)NC(CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(CCCC(C(=O)OC)N)N.Cl","NUNQAGHQPPZIPL-UHFFFAOYSA-N","54608848",NA,"PDBC38402","700252","Present"
-"Meso-2,3-Diphenylsuccinic acid","","","","","","","","","","","","","","","","","","","","meso-2,3-Diphenylsuccinic acid","","C1=CC=C(C=C1)C(C(C2=CC=CC=C2)C(=O)O)C(=O)O","PVXCQHHWNDJIJP-OKILXGFUSA-N","253131",NA,"PDBC38403","75627","Present"
-"Meso-Tetra(p-sulfophenyl)porphine","","","","","","","","","","","","","","","","","","","","meso-Tetra(p-sulfophenyl)porphine","","C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=C(C=C9)S(=O)(=O)O)N3)S(=O)(=O)O.N","QEKRJYZSQDBWPY-UHFFFAOYSA-N","135539580",NA,"PDBC38404","177391","Present"
-"Metachrome Brown V","","","","","","","","","","","","","","","","","","","","monochrome brown v","","C1=CC2=C(C=CC(=C2N=NC3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)O)C=C1S(=O)(=O)O.[Na+]","IUVHWURCSWEAEG-UHFFFAOYSA-N","135422232",NA,"PDBC38405","65820","Present"
-"Metalcaptase","","","","","","","","","","","","","","","","","","","","Penicillamine","","[HH].CC(C)(C(C(=O)O)N)S","AJDBSPPPPGEPBV-UHFFFAOYSA-N","54605730",NA,"PDBC38406","81549","Present"
-"Metarrestin","","","","","","","","","","","","","","","","","","","","(1r,4r)-4-(7-benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H-...","","C1CC(CCC1N2C=NC3=C(C2=N)C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)O","WSMXAUJFLWRPNT-UHFFFAOYSA-N","50985821",NA,"PDBC38407","766813","Present"
-"Metazocine","","","","","","","","","","","","","","","","","","","","Metazocine","","CC1C2CC3=C(C1(CCN2C)C)C=C(C=C3)O","YGSVZRIZCHZUHB-UHFFFAOYSA-N","62518",NA,"PDBC38408","611380","Present"
-"Methacrone","","","","","","","","","","","","","","","","","","","","Methacrone","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O","ZVPFERAGNIFAPW-UHFFFAOYSA-N","364461",NA,"PDBC38409","630722","Present"
-"Methallenestrilphenol","","","","","","","","","","","","","","","","","","","","NSC78296","","CCC(C1=CC2=C(C=C1)C=C(C=C2)O)C(C)(C)C(=O)O","OKLBSPJQRWHBMY-UHFFFAOYSA-N","254232",NA,"PDBC38410","78296","Present"
-"Methanaminium,3-cyclohexanediyl)bis(methyl)bis [N,N,N-trimethyl-, diiodide","","","","","","","","","","","","","","","","","","","","Methanaminium, (2-oxo-1,3-cyclohexanediyl)bis(methyl)bis...","","C[N+](C)(C)CC1CCCC(C1=O)C[N+](C)(C)C.[I-]","GCQIAPMWRHRIFN-UHFFFAOYSA-M","360569",NA,"PDBC38411","622700","Present"
-"Methanaminium,5-cyclohexadien-1-ylidene]-N-methyl-, 1,2-benzenedicarboxylate (1:1)","","","","","","","","","","","","","","","","","","","","Methanaminium, N-[bis[4-(dimethylamino)phenyl]methylene]...","","CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)[O-]","GWPCKEZKGMFTSM-UHFFFAOYSA-M","14122810",NA,"PDBC38412","271967","Present"
-"Methanediamine, 1-(2,6-difluorophenyl)-N,N'-bis(1,3,4-thiadiazol-2-yl)-","","","","","","","","","","","","","","","","","","","","Methanediamine, 1-(2,6-difluorophenyl)- N,N'-bis(1,3,4-t...","","C1=CC(=C(C(=C1)F)C(NC2=NN=CS2)NC3=NN=CS3)F","XIIOFDXBJQNSKF-UHFFFAOYSA-N","356527",NA,"PDBC38413","612799","Present"
-"Methanediamine, N,N'-di-2-naphthalenyl-","","","","","","","","","","","","","","","","","","","","N,N-Di(2-naphthyl)methanediamine","","C1=CC=C2C=C(C=CC2=C1)NCNC3=CC4=CC=CC=C4C=C3","WVCPMBHZPSBORV-UHFFFAOYSA-N","245746",NA,"PDBC38414","57975","Present"
-"Methanesulfinic acid, hydroxy-, monosodium salt, reactio...","","","","","","","","","","","","","","","","","","","","Methanesulfinic acid, hydroxy-, monosodium salt, reactio...","","","","",NA,"PDBC38415","168411","Present"
-"Methanesulfon-m-anisidide, monomethanesulfonate","","","","","","","","","","","","","","","","","","","","Methanesulfon-m-anisidide, 4'-[(3-chloro-5-methoxy-9-acr...","","COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=C(C=C(C=C4)NS(=O)(=O)C)OC)Cl.CS(=O)(=O)O","ZMEYIYCLMKYQNO-UHFFFAOYSA-N","290525",NA,"PDBC38416","154318","Present"
-"Methanesulfonamide, N-(3-methoxy-4-((4-methyl-9-acridinyl)amino)phenyl)-, monomethanesulfonate","","","","","","","","","","","","","","","","","","","","Methanesulfonamide, N-[3-methoxy-4-[(4-methyl-9-acridiny...","","CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.CS(=O)(=O)O","HVOJSINFDBMIRX-UHFFFAOYSA-N","148552",NA,"PDBC38417","150440","Present"
-"Methanesulfonamide, N-(4-(9-acridinylamino)phenyl)-, monomethanesulfonate","","","","","","","","","","","","","","","","","","","","Methanesulfonamide, N-[4-(9-acridinylamino)phenyl]-, met...","","CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.CS(=O)(=O)O","RXTLRPVFJCADPD-UHFFFAOYSA-N","148869",NA,"PDBC38418","156305","Present"
-"Methanesulfonamide, N-9,10-ethanoanthracen-9(10H)-yl-","","","","","","","","","","","","","","","","","","","","Methanesulfonamide, N-9,10-ethanoanthracen-9(10H)-yl-","","CS(=O)(=O)NC12CCC(C3=CC=CC=C31)C4=CC=CC=C24","OSPPIXPHZXBMRK-UHFFFAOYSA-N","384296",NA,"PDBC38419","673913","Present"
-"Methanesulfonamide, N-[3-methoxy-4-[(5-methyl-3-nitro-9-acridinyl)amino]phenyl]-, monohydrochloride","","","","","","","","","","","","","","","","","","","","Methanesulfonamide, N-[3-methoxy-4-[(5-methyl-3-nitro-9-...","","CC1=C2C(=CC=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.Cl","KHPAANXZKKTBNE-UHFFFAOYSA-N","12323851",NA,"PDBC38420","139484","Present"
-"Methanesulfonamide, N-[3-methyl-7-(phenylmethoxy)-1-(phenylsulfonyl)-1H-indol-5-yl]-","","","","","","","","","","","","","","","","","","","","Methanesulfonamide, N-[3-methyl-7-(phenylmethoxy)-1-(phe...","","CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)NS(=O)(=O)C)S(=O)(=O)C4=CC=CC=C4","QCTIOGQIHRSREV-UHFFFAOYSA-N","396976",NA,"PDBC38421","704213","Present"
-"Methanesulfonate;2,3,8,9-tetramethoxy-5-methyl-12-[8-(2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium-12-yl)oxyoctoxy]benzo[c]phenanthridin-5-ium","","","","","","","","","","","","","","","","","","","","Methanesulfonate;2,3,8,9-tetramethoxy-5-methyl-12-[8-(2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium-12-yl)oxyoctoxy]benzo[c]phenanthridin-5-ium","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OCCCCCCCCOC5=CC6=C(C7=CC(=C(C=C75)OC)OC)[N+](=CC8=CC(=C(C=C86)OC)OC)C)OC)OC)OC)OC.CS(=O)(=O)[O-]","IZUJAGHJSLSQAE-UHFFFAOYSA-M","24202359",NA,"PDBC38422","642899","Present"
-"Methanesulfonate;2,3,8-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium","","","","","","","","","","","","","","","","","","","","NSC645306","","C[N+]1=C2C(=C3C=CC(=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.CS(=O)(=O)[O-]","XIBWFAFEMMNMAL-UHFFFAOYSA-M","9932376",NA,"PDBC38423","645306","Present"
-"Methanesulfonate;2,3,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium","","","","","","","","","","","","","","","","","","","","NSC645305","","C[N+]1=C2C(=C3C=C(C=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.CS(=O)(=O)[O-]","GFHPECGSXLCTTA-UHFFFAOYSA-M","24202371",NA,"PDBC38424","645305","Present"
-"Methanesulfonate;3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium","","","","","","","","","","","","","","","","","","","","Methanesulfonate;3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC)OC)OC.CS(=O)(=O)[O-]","XDTSICZBTKKSSD-UHFFFAOYSA-M","24200166",NA,"PDBC38425","361589","Present"
-"Methanesulfonic acid 2-(9-hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)-ethyl ester","","","","","","","","","","","","","","","","","","","","Methanesulfonic acid 2-(9-hydroxy-10-oxo-10H-indeno[1,2-...","","CS(=O)(=O)OCCN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O","HMLRAGVHYHHWRG-UHFFFAOYSA-N","24205926",NA,"PDBC38426","737302","Present"
-"Methanesulfonic acid--4,4'-[propane-1,3-diyldi(piperidine-4,1-diyl)]bis(7-nitroquinazoline) (1/1)","","","","","","","","","","","","","","","","","","","","Methanesulfonic acid;7-nitro-4-[4-[3-[1-(7-nitroquinazolin-4-yl)piperidin-4-yl]propyl]piperidin-1-yl]quinazoline","","CS(=O)(=O)O.C1CN(CCC1CCCC2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)[N+](=O)[O-])C5=NC=NC6=C5C=CC(=C6)[N+](=O)[O-]","SHMMKJAVVNZRMD-UHFFFAOYSA-N","54611099",NA,"PDBC38427","343226","Present"
-"Methanesulfonic acid; 1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine","","","","","","","","","","","","","","","","","","","","Methanesulfonic acid; 1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine","","CS(=O)(=O)O.C1COCC[N+]1(CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])[O-]","IRKSSGDJSSMPGG-UHFFFAOYSA-N","380950",NA,"PDBC38428","666735","Present"
-"Methanesulfonic acid;1-(1-thiophen-2-ylcyclohexyl)piperidin-3-ol","","","","","","","","","","","","","","","","","","","","Methanesulfonic acid; 1-[1-(2-thienyl)cyclohexyl]piperidin-3-ol","","CS(=O)(=O)O.C1CCC(CC1)(C2=CC=CS2)N3CCCC(C3)O","RZIJXFKBZGYBSK-UHFFFAOYSA-N","398084",NA,"PDBC38429","707449","Present"
-"Methanesulfonic acid;10-[3-[2-[3-[(8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propylamino]ethylamino]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","","","","","","","","","","","","","","","","","","","6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one, 5,5'-[(1,2-et...","","CS(=O)(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC4=C3N2N=N4)NCCCNCCNCCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O","LEVSXYILYJUZNR-UHFFFAOYSA-N","439006",NA,"PDBC38430","695943","Present"
-"Methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","","","","","","","","","","","","","","","","","","","Methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-hep","","CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O.CS(=O)(=O)O","QJQKKTJBCRMOIH-UHFFFAOYSA-N","438992",NA,"PDBC38431","695936","Present"
-"Methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one","","","","","","","","","","","","","","","","","","","","Methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen","","CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C7=C(C=C5)N=CN7C8=CC=CC=C8C6=O.CS(=O)(=O)O","ABLJTBAUBGBFQE-UHFFFAOYSA-N","438996",NA,"PDBC38432","695938","Present"
-"Methanesulfonic acid;2-[3-(1-piperidin-1-ylcyclohexyl)phenoxy]ethanamine","","","","","","","","","","","","","","","","","","","","Methanesulfonic acid; 2-[3-[1-(1-piperidyl)cyclohexyl]phenoxy]ethanamine","","CS(=O)(=O)O.C1CCC(CC1)(C2=CC(=CC=C2)OCCN)N3CCCCC3","QFWWOKXUWCCHPG-UHFFFAOYSA-N","398428",NA,"PDBC38433","708130","Present"
-"Methanesulfonic acid;2-[3-[methyl-[3-[(8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","6H-Imidazo[4,5,1-de]acridin-6-one, 5-[3-[[3-[[5-nitro-1,...","","CN(CCCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O)CCCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)[N+](=O)[O-].CS(=O)(=O)O","BHVKGSOVWRENOA-UHFFFAOYSA-N","439002",NA,"PDBC38434","695941","Present"
-"Methanesulfonic acid;5-nitro-2-[3-[4-[3-[(8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione","","","","","","","","","","","","","","","","","","","","6H-Imidazo[4,5,1-de]acridin-6-one, 5-[3-[4-[3-[5-nitro-1...","","CS(=O)(=O)O.C1CN(CCN1CCCNC2=C3C4=C(C=C2)N=CN4C5=CC=CC=C5C3=O)CCCN6C(=O)C7=CC=CC8=CC(=CC(=C87)C6=O)[N+](=O)[O-]","DLZIRRZYBMEZNG-UHFFFAOYSA-N","439004",NA,"PDBC38435","695942","Present"
-"Methanol;2-pyridin-2-ylpyridine;rhodium(2+);tetraacetate","","","","","","","","","","","","","","","","","","","","NSC654727","","CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CO.CO.CO.C1=CC=NC(=C1)C2=CC=CC=N2.[Rh+2].[Rh+2]","USCJOPQLROKWNK-UHFFFAOYSA-J","24202425",NA,"PDBC38436","654727","Present"
-"Methanone, (2-pyridinyl)hydrazone","","","","","","","","","","","","","","","","","","","","Methanone, di-2-pyridinyl-, (2-pyridinyl)hydrazone","","C1=CC=NC(=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3","NQMRQOJBICGFQU-UHFFFAOYSA-N","395597",NA,"PDBC38437","700342","Present"
-"Methanone, 2,6-pyridinediylbis[(4-fluorophenyl)-","","","","","","","","","","","","","","","","","","","","Methanone, 2,6-pyridinediylbis[(4-fluorophenyl)-","","C1=CC(=NC(=C1)C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F","ZWBHLMOYZNLVNU-UHFFFAOYSA-N","365542",NA,"PDBC38438","633242","Present"
-"Methanone, 2-pyridinylhydrazone,manganese diacetate complex","","","","","","","","","","","","","","","","","","","","Manganese, bis(acetato-O)[(phenyl-2-pyridinyl-methanone(...","","CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3.[Mn+2]","LYLWYSBJLQWRSM-XQKVXRCISA-L","24202085",NA,"PDBC38439","625538","Present"
-"Methanone, 2-pyridylhydrazone, nickel acetate complex","","","","","","","","","","","","","","","","","","","","Methanone, phenyl-2-pyridyl-, 2-pyridylhydrazone, nickel...","","CC(=O)[O-].C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3.[Ni]","QTNQQWMVPCPVFO-PJPLBZAPSA-M","24202087",NA,"PDBC38440","625542","Present"
-"Methanone, [1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)-3-piperidinyl](4-hydroxyphenyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","Methanone, [1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)-3-piperidinyl](4-hydroxyphenyl)-, hydrochloride","","CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)O)(C3=CC=C(C=C3)O)O.Cl","QNADAMPUYNDRRW-UHFFFAOYSA-N","376395",NA,"PDBC38441","657304","Present"
-"Methanone, [4-[2-[bis(3-aminopropyl)amino]ethyl]-1-imidazolyl]-phenyl-","","","","","","","","","","","","","","","","","","","","Methanone, [4-[2-[bis(3-aminopropyl)amino]ethyl]-1-imida...","","C1=CC=C(C=C1)C(=O)N2C=C(N=C2)CCN(CCCN)CCCN","YDXXNGYHCSSFQE-UHFFFAOYSA-N","396988",NA,"PDBC38442","704225","Present"
-"Methanone, bis(4-(dimethylamino)phenyl)-, hydrazide","","","","","","","","","","","","","","","","","","","","LS-91134","","CN(C)C1=CC=C(C=C1)C(=NN)C2=CC=C(C=C2)N(C)C","PCZXDDXEYBFQIQ-UHFFFAOYSA-N","397978",NA,"PDBC38443","707050","Present"
-"Methanone,3-benzodioxol-5-yl)methyl]-1H-imidazol-5-yl]methyl]-4-91-naphthalenyl)-1H-pyrrol-3-yl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Methanone, 4-methyl-1-piperazinyl-1-[[1-[(1,3-benzodioxo...","","CN1CCN(CC1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC7=C(C=C6)OCO7.Cl","XIZLDRQEDOGKMT-UHFFFAOYSA-N","397854",NA,"PDBC38444","706470","Present"
-"Methasquin","","","","","","","","","","","","","","","","","","","","Methasquin","","CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O","NTKNUVXCGJPJQP-UHFFFAOYSA-N","29335",NA,"PDBC38445","122870","Present"
-"Methdilazine hydrochloride","","","","","","","","","","","","","","","","","","","","tacaryl","","CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42.Cl","IEISBKIVLDXSMZ-UHFFFAOYSA-N","14676",NA,"PDBC38446","169091","Present"
-"Methenamine","","","","","","","","","","","","","","","","","","","Methenamine","","","C1N2CN3CN1CN(C2)C3","VKYKSIONXSXAKP-UHFFFAOYSA-N","4101",NA,"PDBC38447","","Absent"
-"Methenamine allyl iodide","","","","","","","","","","","","","","","","","","","","allyliodourotropine","","C=CC[N+]12CN3CN(C1)CN(C3)C2.[I-]","MWNFHPSPNQSWME-UHFFFAOYSA-M","2827274",NA,"PDBC38448","5062","Present"
-"Methionine Enkephalin Acetate","","","","","","","","","","","","","","","","","","","","Methionine Enkephalin Acetate","","CC(=O)O.CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N","YWBMODPHGARALU-UHFFFAOYSA-N","363143",NA,"PDBC38449","627726","Present"
-"Methiothepin maleate","","","","","","","","","","","","","","","","","","","","metitepine maleate///NSC759875","","CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.C(=CC(=O)O)C(=O)O","IWDBEHWZGDSFHR-BTJKTKAUSA-N","5358812",NA,"PDBC38450","281816///759875","Present"
-"Methisazone","","","","","","","","","","","","","","","","","","","","mibt","","CN1C2=CC=CC=C2C(=C1O)N=NC(=S)N","TTZUCVNWOZLIGL-UHFFFAOYSA-N","667492",NA,"PDBC38451","69811","Present"
-"Methothalistyline diiodide","","","","","","","","","","","","","","","","","","","","Methothalistyline diiodide","","C[N+]1(CCC2=C(C3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C(=C7CC[N+]6(C)C)OC)OC)OC)OC)OCO3)OC)C.[I-]","JHGHYIJYFIQQGG-UHFFFAOYSA-M","5458529",NA,"PDBC38452","269187","Present"
-"Methotrexate Derivative","","","","","","","","","","","","","","","","","","","","Methotrexate Derivative","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C4=CC=CC=C43)C(=O)NC(CCC(=O)O)C(=O)O","XNZUKUJONMYGIN-UHFFFAOYSA-N","425430",NA,"PDBC38453","174121","Present"
-"Methoxy-N-(5-propoxybenzothiazol-2-yl)carboxamide","","","","","","","","","","","","","","","","","","","","5-Propoxy-benzothiazol-2-yl-carbamic acid methyl ester","","CCCOC1=CC2=C(C=C1)SC(=N2)NC(=O)OC","QJZXSKCKYCCMTR-UHFFFAOYSA-N","4450833",NA,"PDBC38454","764933","Present"
-"Methoxybenzoestra-1,5(10),16-tetraen-3-ol","","","","","","","","","","","","","","","","","","","","Methoxybenzoestra-1,3,5(10),16-tetraen-3-ol","","CC12CCC3C(C1CC4=C2C=C(C=C4)OC)CCC5=C3C=CC(=C5)O","JOBKVULMFWGUNT-MJQPMCEXSA-N","24205961",NA,"PDBC38455","737523","Present"
-"Methoxybrassenin B","","","","","","","","","","","","","","","","","","","","Methoxybrassenin B 1-Methoxy-1H-indole-3-carboxylic acid...","","CON1C=C(C2=CC=CC=C21)C(=O)N=C(SC)SC","NFGCTENDKLNJTI-UHFFFAOYSA-N","15145690",NA,"PDBC38456","732256","Present"
-"Methoxyphenamine hydrochloride","","","","","","","","","","","","","","","","","","","","orthoxine hydrochloride","","CC(CC1=CC=CC=C1OC)NC.Cl","FGSJNNQVSUVTPW-UHFFFAOYSA-N","9859211",NA,"PDBC38457","65644","Present"
-"Methyl (((5-(6-hydroxy-5,5,7,7-tetramethyl-2-oxotetrahydroimidazo[1,5-b][1,2,4]oxadiazol-1(2H)-yl)-2-methylanilino)carbonyl)amino)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[5-(6-hydroxy-5,5,7,7-tetramethyl-2-oxo-7aH-imidazo[1,5-b][1,2,4]oxadiazol-1-yl)-2-methylphenyl]carbamoylamino]acetate","","CC1=C(C=C(C=C1)N2C3C(N(C(N3OC2=O)(C)C)O)(C)C)NC(=O)NCC(=O)OC","FMMCQKQIWFNXPI-UHFFFAOYSA-N","382413",NA,"PDBC38458","669976","Present"
-"Methyl (((6-(((2-methoxy-2-oxoethyl)amino)carbonyl)-2,8-dimethyl-4-phenoxathiinyl)carbonyl)amino)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[6-[(2-methoxy-2-oxo-ethyl)carbamoyl]-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]acetate","","CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3O2)C(=O)NCC(=O)OC)C)C(=O)NCC(=O)OC","ZORWBENHEMZPAV-UHFFFAOYSA-N","388807",NA,"PDBC38459","683894","Present"
-"Methyl ((1-(4-methoxybenzyl)-2-thioxo-1,3-diazaspiro[4.4]non-3-en-4-yl)amino)acetate","","","","","","","","","","","","","","","","","","","","Methyl ((1-(4-methoxybenzyl)-2-thioxo-1,3-diazaspiro[4.4]non-3-en-4-yl)amino)acetate","","COC1=CC=C(C=C1)CN2C(=S)NC(=NCC(=O)OC)C23CCCC3","MJSYRDLCDIAEJW-UHFFFAOYSA-N","135426588",NA,"PDBC38460","700358","Present"
-"Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate","","","","","","","","","","","","","","","","","","","","Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate","","COC(=O)CSSCC1=CC=C(C=C1)[N+](=O)[O-]","QXKKNZRCMRBLPV-UHFFFAOYSA-N","345888",NA,"PDBC38461","403805","Present"
-"Methyl ((5-(4-hydroxy-3-(hydroxy(oxido)amino)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate","","","","","","","","","","","","","","","","","","","","Methyl ((5-(4-hydroxy-3-(hydroxy(oxido)amino)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate","","COC(=O)CSC1=NNC(=N1)C2=CC(=C(C=C2)O)[N+](=O)[O-]","WIZYWMQIOGOGTQ-UHFFFAOYSA-N","3377016",NA,"PDBC38462","634483","Present"
-"Methyl (1,4-dimethyl-9-(3-oxobutyl)-9H-fluoren-9-yl)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Methyl (1,4-dimethyl-9-(3-oxobutyl)-9H-fluoren-9-yl)(oxo)acetate","","CC1=C2C3=CC=CC=C3C(C2=C(C=C1)C)(CCC(=O)C)C(=O)C(=O)OC","CJOBWFVDSQCCQO-UHFFFAOYSA-N","362103",NA,"PDBC38463","625631","Present"
-"Methyl (1-benzoyl-5-ethyl-2-(1H-indol-3-ylmethyl)-3-oxo-4-piperidinyl)acetate","","","","","","","","","","","","","","","","","","","","Methyl (1-benzoyl-5-ethyl-2-(1H-indol-3-ylmethyl)-3-oxo-4-piperidinyl)acetate","","CCC1CN(C(C(=O)C1CC(=O)OC)CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4","LQPFWHUHISWTOT-UHFFFAOYSA-N","392527",NA,"PDBC38464","693043","Present"
-"Methyl (1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate","","","","","","","","","","","","","","","","","","","","Methyl (1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate","","COC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2CCCCC2","BRALFRIOPYDWHB-UHFFFAOYSA-N","367236",NA,"PDBC38465","636779","Present"
-"Methyl (11R)-11-(1H-indol-2-yl)-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-11-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (11R)-11-(1H-indol-2-yl)-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-11-carboxylate","","CC1(OC2C3CC(C(C2O1)NC3)(C4=CC5=CC=CC=C5N4)C(=O)OC)C","JHVNRJMXZHAOAP-XBJMVUOGSA-N","397003",NA,"PDBC38466","704240","Present"
-"Methyl (11R)-11-(1H-indol-2-yl)-8-[2-[methoxy(methyl)amino]-2-oxoethyl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-11-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (11R)-11-(1H-indol-2-yl)-8-[2-[methoxy(methyl)amino]-2-oxoethyl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-11-carboxylate","","CC1(OC2C3CC(C(C2O1)N(C3)CC(=O)N(C)OC)(C4=CC5=CC=CC=C5N4)C(=O)OC)C","IDAVDHLBWSCQIN-CUPBJOGFSA-N","397007",NA,"PDBC38467","704243","Present"
-"Methyl (11R)-12-ethyl-11-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (11R)-12-ethyl-11-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate","","CCC12C=CCN3C1C4(CC3)C5=CC=CC=C5NC4=C(C2O)C(=O)OC","STPIZSHIGYPTLA-IIDKWZDJSA-N","373673",NA,"PDBC38468","650468","Present"
-"Methyl (1R)-15-oxo-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R)-15-oxo-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-1-carboxylate","","COC(=O)C12CC3CN(C1CC3=O)CC4=C2NC5=CC=CC=C45","VSWKBHWHEOFEFT-DYZZWRBISA-N","396985",NA,"PDBC38469","704222","Present"
-"Methyl (1R)-3-(benzenesulfonyl)-11-(bromomethyl)-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R)-3-(benzenesulfonyl)-11-(bromomethyl)-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate","","COC(=O)C12CC3CN(C1C=C3)C(C4=C2N(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6)CBr","RQHNOSGKFUILKG-SPXNYKIGSA-N","396984",NA,"PDBC38470","704221","Present"
-"Methyl (1R)-3-(benzenesulfonyl)-11-methylidene-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R)-3-(benzenesulfonyl)-11-methylidene-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate","","COC(=O)C12CC3CN(C1C=C3)C(=C)C4=C2N(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6","QNCHRPHCNRDGNV-PXSGXWBPSA-N","396986",NA,"PDBC38471","704223","Present"
-"Methyl (1R*,2R*)-2-[2-(2-naphtyl)cyclopropyl]-3-methoxypropenoate","","","","","","","","","","","","","","","","","","","","Methyl (1R*,2R*)-2-[2-(2-naphtyl)cyclopropyl]-3-methoxyp...","","COC=C(C1CC1C2=CC3=CC=CC=C3C=C2)C(=O)OC","UELLOFPYXSLCBP-KDUYSQSBSA-N","5472691",NA,"PDBC38472","720771","Present"
-"Methyl (1R,2R,6S,7S)-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]dec-8-ene-8-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,2R,6S,7S)-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]dec-8-ene-8-carboxylate","","CC1(OCC(O1)C2=C(C3CC2C4C3OC(O4)(C)C)C(=O)OC)C","GMQSMDNLYJSUQM-MBGSKLRTSA-N","384658",NA,"PDBC38473","674703","Present"
-"Methyl (1R,2S,3R,6R,13S,15R,17S)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-3-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,2S,3R,6R,13S,15R,17S)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-3-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate","","CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C6=CC=CC=C6)C(F)(F)F)(OC5)C(=O)OC)O)O)C)O","JLHWUUZAGPHWJG-LYXVRTPVSA-N","5467619",NA,"PDBC38474","656901","Present"
-"Methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-(4,4,4-trifluoro-3-methylbutanoyl)oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-(4,4,4-trifluoro-3-methylbutanoyl)oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate","","CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)O)(OC5)C(=O)OC)O)O)C)OC(=O)CC(C)C(F)(F)F","DRHBGHWWZZPDNF-TYIDACLASA-N","376223",NA,"PDBC38475","656903","Present"
-"Methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate","","CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)O)(OC5)C(=O)OC)O)O)C)OC(=O)C=C(C6=CC=CC=C6)C(F)(F)F","IQGPVCQYSSOLOZ-DJSJGBTISA-N","5467620",NA,"PDBC38476","656902","Present"
-"Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10-acetyloxy-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10-acetyloxy-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate","","CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OC(=O)C","TUCCRVXYEZZAAX-HKIXHUCJSA-N","11972632",NA,"PDBC38477","715768","Present"
-"Methyl (1R,3R)-2,2-dimethyl-3-phenylsulfanyl-1-prop-2-enylcyclopropane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,3R)-2,2-dimethyl-3-phenylsulfanyl-1-prop-2-enylcyclopropane-1-carboxylate","","CC1(C(C1(CC=C)C(=O)OC)SC2=CC=CC=C2)C","MADBTURQVRXFKX-CJNGLKHVSA-N","397605",NA,"PDBC38478","705946","Present"
-"Methyl (1R,3R,4S,5S,13S,16S,17R,18S,20S,21S)-7-[2,5-dihydroxy-3,4-bis(5-oxo-2H-furan-3-yl)-6-[(1S,3S,4R,5R,13R,16R,17S,18R,20R,21R)-4,5,16,21-tetrahydroxy-17-methoxycarbonyl-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosan-7-yl]hexyl]-4,5,16,21-tetrahydroxy-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosane-17-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,3R,4S,5S,13S,16S,17R,18S,20S,21S)-7-[2,5-dihydroxy-3,4-bis(5-oxo-2H-furan-3-yl)-6-[(1S,3S,4R,5R,13R,16R,17S,18R,20R,21R)-4,5,16,21-tetrahydroxy-17-methoxycarbonyl-13,17,20-trimethyl-2,6-dio","","CC1C2CCCCC3(C(C(C(C(O3)O)O)OC1CC4C2(CCC(C4(C)C(=O)OC)O)C)O)CC(C(C5=CC(=O)OC5)C(C6=CC(=O)OC6)C(CC78CCCCC9C(C(CC1C9(CCC(C1(C)C(=O)OC)O)C)OC(C7O)C(C(O8)O)O)C)O)O","ZLZXFPXPHHITTL-ASMVMCBCSA-N","401955",NA,"PDBC38479","715643","Present"
-"Methyl (1R,3S,6R,10S,11S,14S)-14-ethenyl-6,10,14-trimethyl-2-oxatetracyclo[9.4.0.01,3.05,10]pentadecane-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,3S,6R,10S,11S,14S)-14-ethenyl-6,10,14-trimethyl-2-oxatetracyclo[9.4.0.01,3.05,10]pentadecane-6-carboxylate","","CC1(CCC2C3(CCCC(C3CC4C2(C1)O4)(C)C(=O)OC)C)C=C","FRNRNPACHMDZSP-IRBXKFIHSA-N","395712",NA,"PDBC38480","700510","Present"
-"Methyl (1R,4R)-1-methyl-6,11-dioxo-1,4-dihydropyridazino[1,2-b]phthalazine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl(1r,4r)-4-methyl-6,11-dioxo-1,4,6,11-tetrahydropyridazino[1,2-b]phthalazine-1-carboxylate","","CC1C=CC(N2N1C(=O)C3=CC=CC=C3C2=O)C(=O)OC","DKPCJURVYIFDCJ-BXKDBHETSA-N","373138",NA,"PDBC38481","649080","Present"
-"Methyl (1R,4S,12R)-9-hydroxy-10-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-5,8-diene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,4S,12R)-9-hydroxy-10-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-5,8-diene-12-carboxylate","","COC(=O)C12C3CC(=O)C(=C1CC=CC2CO3)O","VCJZQZHQVITREW-XBURVNOZSA-N","396518",NA,"PDBC38482","702760","Present"
-"Methyl (1R,4aR,7E,8aS)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,4aR,7E,8aS)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate","","CC1C2C(CCC1=CC(=O)OC)C3(CCCC(C3CC2=O)(C)C(=O)OC)C","UMKMKHVTQXNBRV-YKJDRUMHSA-N","11969929",NA,"PDBC38483","639386","Present"
-"Methyl (1R,4aR,7Z,8aS)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,4aR,7Z,8aS)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate","","CC1C2C(CCC1=CC(=O)OC)C3(CCCC(C3CC2=O)(C)C(=O)OC)C","UMKMKHVTQXNBRV-WKBJNWPZSA-N","11969930",NA,"PDBC38484","639387","Present"
-"Methyl (1R,7R,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate","","","","","","","","","","","","","","","","","","","","Spiro[cyclohexane-1,9'-naphtho[1',2':4,5]furo[2,3-d][1,3...","","COC(=O)C12CC=C3C(C1C(=O)C=CC2=O)C4C(O3)OC5(O4)CCCCC5","HQZLAHBNJAJFOY-WJIWHZPCSA-N","359460",NA,"PDBC38485","620325","Present"
-"Methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-bromo-12-ethyl-10-hydroxy-5-methoxy-8-methyl-6-nitro-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-bromo-12-ethyl-10-hydroxy-5-methoxy-8-methyl-6-nitro-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate","","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C(C(=C(C=C45)Br)OC)[N+](=O)[O-])C","JAFZETPFHBUEMW-ACSXSLCXSA-N","400602",NA,"PDBC38486","712724","Present"
-"Methyl (1S)-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Methyl (1S)-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride","","CC(C)CC1C2=C(CC(N1)C(=O)OC)C3=CC=CC=C3N2.Cl","AMHPROCTEFVFQH-QDVCFFRGSA-N","11969854",NA,"PDBC38487","628512","Present"
-"Methyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate","","CCCCCCCCCC1CC2CCC3N2C(=N1)NC(=C3C(=O)OC)C","PZCUXEXAQPZHFP-DVKDBIPTSA-N","401693",NA,"PDBC38488","715423","Present"
-"Methyl (1S,15R,17S,18S,19R,20S)-6,18-dimethoxy-17-[(E)-3-(4-methoxy-3-propanoyloxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate","","","","","","","","","","","","","","","","","","","","methyl (1S,15R,17S,18S,19R,20S)-6,18-dimethoxy-17- {[(2E...","","CCC(=O)OC1=C(C=CC(=C1)C=CC(=O)OC2CC3CN4CCC5=C(C4CC3C(C2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC","ZCXJLKSQNBNGSW-YDUJIRBUSA-N","155809762",NA,"PDBC38489","776825","Present"
-"Methyl (1S,2R)-1-benzamido-2-formylcyclopropane-1-carboxylate","","","","","","","","","","","","","","","","","","","","NSC686353","","COC(=O)C1(CC1C=O)NC(=O)C2=CC=CC=C2","SUPLHWWSRCYJTF-GWCFXTLKSA-N","389758",NA,"PDBC38490","686353","Present"
-"Methyl (1S,2R,4aS,5R,6R,8aR)-5-(acetyloxymethyl)-5-[2-(furan-3-yl)-2-oxoethyl]-2-hydroxy-6,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1S,2R,4aS,5R,6R,8aR)-5-(acetyloxymethyl)-5-[2-(furan-3-yl)-2-oxoethyl]-2-hydroxy-6,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylate","","CC1CCC2(C(C1(CC(=O)C3=COC=C3)COC(=O)C)CCC(C2C(=O)OC)O)C","CADQCGHOYKAFRM-QYGDFYLKSA-N","390650",NA,"PDBC38491","688253","Present"
-"Methyl (1S,2R,6R,8aS)-5-[2-(furan-3-yl)-2-oxoethyl]-2-hydroxy-6,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1S,2R,6R,8aS)-5-[2-(furan-3-yl)-2-oxoethyl]-2-hydroxy-6,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1-carboxylate","","CC1CCC2(C(C(CCC2=C1CC(=O)C3=COC=C3)O)C(=O)OC)C","WXNQCEUSWTUPDX-RMPJWLMTSA-N","390642",NA,"PDBC38492","688244","Present"
-"Methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1-carboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N2CC3CCC4(C3C2C(N4S(=O)(=O)C5=CC=C(C=C5)C)C6=CC=CO6)C(=O)OC","ONUWTXQDMDZGJK-IUCVVGBRSA-N","401754",NA,"PDBC38493","715484","Present"
-"Methyl (1S,3R,4R,7R,10S)-3-phenyl-2-azatricyclo[5.2.1.04,10]decane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1S,3R,4R,7R,10S)-3-phenyl-2-azatricyclo[5.2.1.04,10]decane-1-carboxylate","","COC(=O)C12CCC3C1C(CC3)C(N2)C4=CC=CC=C4","WVXFLFWPJQWNKR-ZJBDGZLFSA-N","401743",NA,"PDBC38494","715473","Present"
-"Methyl (1S,3R,5R,8E,12E,15S,18R)-5,9,13-trimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1S,3R,5R,8E,12E,15S,18R)-5,9,13-trimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18-carboxylate","","CC1=CCCC2(C(O2)CC3C(CC(=CCC1)C)OCC3C(=O)OC)C","VIEFJEKSUZSOST-ASUPCQDJSA-N","11970110",NA,"PDBC38495","687106","Present"
-"Methyl (1S,4R)-4-acetamidocyclopent-2-ene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl(+-)-cis-4-Acetamidocyclopent-2-enecarboxylate","","CC(=O)NC1CC(C=C1)C(=O)OC","NEJBWENICROWTO-SFYZADRCSA-N","361509",NA,"PDBC38496","624590","Present"
-"Methyl (1S,4R,5R,9R,10R,12R,13R,14S,17S,18R)-14,17-bis(2-cyanoethoxy)-5,9-dimethyl-20-propan-2-ylpentacyclo[10.6.2.01,10.04,9.013,18]icos-19-ene-5-carboxylate","","","","","","","","","","","","","","","","","","","","methyl (1S,4S,4aR,4bS,6aR,7R,10aR,10bR,12R,12aR)-1,4-bis...","","CC(C)C1=CC23CCC4C(C2CC1C5C3C(CCC5OCCC#N)OCCC#N)(CCCC4(C)C(=O)OC)C","AOSWFCACFIXBQC-HKJHSTKUSA-N","155808812",NA,"PDBC38497","788857","Present"
-"Methyl (1S,4aR,8S,8aS)-1,4a-dimethyl-7-methylidene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1S,4aR,8S,8aS)-1,4a-dimethyl-7-methylidene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate","","CC12CCCC(C1CCC3C2CCC(=C)C3CC=O)(C)C(=O)OC","JFJLQXKXXUUAPP-KODOBDFDSA-N","5459178",NA,"PDBC38498","639385","Present"
-"Methyl (1S,4aR,8aS)-1,4a-dimethyl-7-methylidene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1S,4aR,8aS)-1,4a-dimethyl-7-methylidene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate","","CC12CCCC(C1CCC3C2CCC(=C)C3CC=O)(C)C(=O)OC","JFJLQXKXXUUAPP-ZALNFZFTSA-N","6711753",NA,"PDBC38499","639384","Present"
-"Methyl (1S,4aR,8aS)-8-(2-hydroxyethyl)-1,4a-dimethyl-7-methylidene-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1S,4aR,8aS)-8-(2-hydroxyethyl)-1,4a-dimethyl-7-methylidene-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate","","CC12CCCC(C1CCC3C2CCC(=C)C3CCO)(C)C(=O)OC","PQFNNXOKMUDTNO-ZALNFZFTSA-N","6711752",NA,"PDBC38500","639383","Present"
-"Methyl (1S,4aS,5S,6R,7R,7aR)-6-benzoyloxy-5-hydroxy-7-methyl-1-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate;methyl (1S,4aS,5S,6R,7R,7aR)-5-hydroxy-7-methyl-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Mixture of iridoid glucosides viz. arbortristosides C an...","","CC1C2C(C(C1OC(=O)C=CC3=CC=CC=C3)O)C(=COC2OC4CC(C(C(C4O)O)O)CO)C(=O)OC.CC1C2C(C(C1OC(=O)C3=CC=CC=C3)O)C(=COC2OC4CC(C(C(C4O)O)O)CO)C(=O)OC","XYPPFFUVIARNLP-ZDIBOPTGSA-N","5387860",NA,"PDBC38501","628603","Present"
-"Methyl (1S,4aS,6bR,10S,12aR,14bS)-10-acetyloxy-6-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (1S,4aS,6bR,10S,12aR,14bS)-10-acetyloxy-6-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate","","CC1CCC2(CC(C3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)O)C(=O)OC","JJKZFTBHPJKMJN-KHKBANECSA-N","363632",NA,"PDBC38502","628661","Present"
-"Methyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate","","COC(=O)CN1CCSC1=NC#N","JBRAMXSGFYAPQD-UHFFFAOYSA-N","361714",NA,"PDBC38503","624956","Present"
-"Methyl (2-thiophenoxyethyl)-phenylphosphine oxide","","","","","","","","","","","","","","","","","","","","racemic mixture","","CP(=O)(CCSC1=CC=CC=C1)C2=CC=CC=C2","DWYKUNFLSUYNSF-UHFFFAOYSA-N","365464",NA,"PDBC38504","633097","Present"
-"Methyl (2E)-2-(4-chloro-3-oxo-5-phenylfuran-2-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-(4-chloro-3-oxo-5-phenylfuran-2-ylidene)acetate","","COC(=O)C=C1C(=O)C(=C(O1)C2=CC=CC=C2)Cl","FQFSASVRBKROFW-VQHVLOKHSA-N","5468861",NA,"PDBC38505","677938","Present"
-"Methyl (2E)-2-(methylsulfanylcarbothioylhydrazinylidene)propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-(methylsulfanylcarbothioylhydrazinylidene)propanoate","","CC(=NNC(=S)SC)C(=O)OC","CMWLZXFGUQHLHR-QPJJXVBHSA-N","9572357",NA,"PDBC38506","713064","Present"
-"Methyl (2E)-2-(methylsulfonyl)-3-(2-phenyl-1H-indol-3-yl)acrylate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-(methylsulfonyl)-3-(2-phenyl-1H-indol-3-yl...","","COC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)S(=O)(=O)C","OTUWOKNFQNEEBU-SFQUDFHCSA-N","45029402",NA,"PDBC38507","746692","Present"
-"Methyl (2E)-2-(pyren-1-ylmethylidene)-1,3-benzodithiole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-(pyren-1-ylmethylidene)-1,3-benzodithiole-5-carboxylate","","COC(=O)C1=CC2=C(C=C1)SC(=CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)S2","BDMFFLAWPMOTCS-OEAKJJBVSA-N","5471695",NA,"PDBC38508","713177","Present"
-"Methyl (2E)-2-[(1R,7R,10S,12R)-14-acetamido-7,14-dimethyl-4-oxo-6-azatetracyclo[8.3.1.02,6.07,12]tetradec-2-en-5-ylidene]acetate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-[(1R,7R,10S,12R)-14-acetamido-7,14-dimethyl-4-oxo-6-azatetracyclo[8.3.1.02,6.07,12]tetradec-2-en-5-ylidene]acetate","","CC(=O)NC1(C2CCC3(C(C2)CC1C4=CC(=O)C(=CC(=O)OC)N43)C)C","IVOIFIGQQDUQCP-HFXQCLIJSA-N","5470606",NA,"PDBC38509","703547","Present"
-"Methyl (2E)-2-[(3-nitro-4,5-diphenyl-2-furyl)methylene]hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-[(3-nitro-4,5-diphenyl-2-furyl)methylene]hydrazinecarboxylate","","COC(=O)NN=CC1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]","PXLDZXDCESCFPH-UDWIEESQSA-N","9555839",NA,"PDBC38510","641825","Present"
-"Methyl (2E)-2-[1-[2-[6-(cyanomethyl)-1,3-benzodioxol-5-yl]ethyl]pyrrolidin-2-ylidene]acetate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-[1-[2-[6-(cyanomethyl)-1,3-benzodioxol-5-yl]ethyl]pyrrolidin-2-ylidene]acetate","","COC(=O)C=C1CCCN1CCC2=CC3=C(C=C2CC#N)OCO3","NLPPGQPGOWINQJ-RVDMUPIBSA-N","5471896",NA,"PDBC38511","715197","Present"
-"Methyl (2E)-2-[2-(3-chlorophenyl)imino-3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate","","","","","","","","","","","","","","","","","","","","methyl 2-((Z)-2-((3-chlorophenyl)imino)-3-(2-(5-hydroxy-...","","COC(=O)C=C1C(=O)N(C(=NC2=CC(=CC=C2)Cl)S1)CCC3=CNC4=C3C=C(C=C4)O","AXEUHBMQYXVYOA-WOCQWUMRSA-N","155811740",NA,"PDBC38512","797222","Present"
-"Methyl (2E)-2-[2-(4-fluorophenyl)imino-3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate","","","","","","","","","","","","","","","","","","","","methyl 2-((Z)-2-((4-fluorophenyl)imino)-3-(2-(5-hydroxy-...","","COC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)F)S1)CCC3=CNC4=C3C=C(C=C4)O","OODBGZYWCNSWNS-WOCQWUMRSA-N","155806292",NA,"PDBC38513","797221","Present"
-"Methyl (2E)-2-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-ylidene]acetate","","","","","","","","","","","","","","","","","","","","methyl 2-(2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-di...","","COC(=O)C=C1C(=O)N=C(S1)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F","KNGLFTPLKDGLRC-MHWRWJLKSA-N","155815218",NA,"PDBC38514","789053","Present"
-"Methyl (2E)-2-[3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-ylidene]acetate","","","","","","","","","","","","","","","","","","","","methyl 2-((Z)-3-(2-(5-hydroxy-1H-indol-3-yl)ethyl)-4-oxo...","","COC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)C(F)(F)F)S1)CCC3=CNC4=C3C=C(C=C4)O","GVPYKOOWYUMGLO-ZVWBETBCSA-N","155812159",NA,"PDBC38515","797220","Present"
-"Methyl (2E)-2-[5-(2,4-dimethylphenyl)-3-oxofuran-2-ylidene]acetate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-[5-(2,4-dimethylphenyl)-3-oxofuran-2-ylidene]acetate","","CC1=CC(=C(C=C1)C2=CC(=O)C(=CC(=O)OC)O2)C","XMPDXVCFQSDAOS-RIYZIHGNSA-N","5468712",NA,"PDBC38516","674918","Present"
-"Methyl (2E)-2-[[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-3-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-[[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-3-oxobutanoate","","CC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C(=O)OC","CVNBWTYCCZPDJH-CSKARUKUSA-N","24203795",NA,"PDBC38517","729527","Present"
-"Methyl (2E)-2-cyano-2-(5-hydroxy-1-methylpyrrolidin-2-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-cyano-2-(5-hydroxy-1-methylpyrrolidin-2-ylidene)acetate","","CN1C(CCC1=C(C#N)C(=O)OC)O","VAJOWGNVEGYJLV-VOTSOKGWSA-N","5388537",NA,"PDBC38518","636821","Present"
-"Methyl (2E)-2-cyano-2-(5-hydroxypyrrolidin-2-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-cyano-2-(5-hydroxypyrrolidin-2-ylidene)acetate","","COC(=O)C(=C1CCC(N1)O)C#N","VOCHFQKUSYTHMM-AATRIKPKSA-N","5388536",NA,"PDBC38519","636820","Present"
-"Methyl (2E)-2-cyano-2-(5-methoxy-1-methylpyrrolidin-2-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-cyano-2-(5-methoxy-1-methylpyrrolidin-2-ylidene)acetate","","CN1C(CCC1=C(C#N)C(=O)OC)OC","HTPAEIDGDCAILW-BQYQJAHWSA-N","5388540",NA,"PDBC38520","636824","Present"
-"Methyl (2E)-2-cyano-2-(5-methoxypyrrolidin-2-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-cyano-2-(5-methoxypyrrolidin-2-ylidene)acetate","","COC1CCC(=C(C#N)C(=O)OC)N1","PDCJKUBACSWFHJ-VOTSOKGWSA-N","5388539",NA,"PDBC38521","636823","Present"
-"Methyl (2E)-2-cyano-2-[1-methyl-5-[3-(trifluoromethyl)anilino]pyrrolidin-2-ylidene]acetate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-cyano-2-[1-methyl-5-[3-(trifluoromethyl)anilino]pyrrolidin-2-ylidene]acetate","","CN1C(CCC1=C(C#N)C(=O)OC)NC2=CC=CC(=C2)C(F)(F)F","MWUANIGCVSNLIN-OUKQBFOZSA-N","5388538",NA,"PDBC38522","636822","Present"
-"Methyl (2E)-2-cyano-2-[4-(3-morpholinopropyl)-1H-tetrazol-5-ylidene]acetate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-2-cyano-2-[4-(3-morpholinopropyl)-1H-tetrazol-5-ylidene]acetate","","COC(=O)C(=C1N=NNN1CCCN2CCOCC2)C#N","IDIPUMHPIBAEKR-ZHACJKMWSA-N","5387691",NA,"PDBC38523","625767","Present"
-"Methyl (2E)-3-(2-methyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylate","","","","","","","","","","","","","","","","","","","","Methyl (2E)-3-(2-methyl-1H-indol-3-yl)-2-(phenylsulfonyl...","","CC1=C(C2=CC=CC=C2N1)C=C(C(=O)OC)S(=O)(=O)C3=CC=CC=C3","OBAIWMSXUQQVAB-LDADJPATSA-N","45029404",NA,"PDBC38524","746694","Present"
-"Methyl (2E)-5,5-diphenyl-2,4-pentadienoate","","","","","","","","","","","","","","","","","","","","J3.522.543I","","COC(=O)C=CC=C(C1=CC=CC=C1)C2=CC=CC=C2","RXSQYCYZFXKHKU-RIYZIHGNSA-N","6163542",NA,"PDBC38525","113053","Present"
-"Methyl (2E,4E)-2-cyano-5-methoxypenta-2,4-dienoate","","","","","","","","","","","","","","","","","","","","Methyl-(2E,4E)-2-cyano-5-methoxy-2,4-pentadiene carboxylate","","COC=CC=C(C#N)C(=O)OC","YADFOKRCZMZRCS-HJIKTHEYSA-N","5468989",NA,"PDBC38526","680774","Present"
-"Methyl (2E,4E)-5-(4-acetyl-5-methyl-2-furyl)-3-methylpenta-2,4-dienoate","","","","","","","","","","","","","","","","","","","","Methyl (2E,4E)-5-(4-acetyl-5-methyl-2-furyl)-3-methylpenta-2,4-dienoate","","CC1=C(C=C(O1)C=CC(=CC(=O)OC)C)C(=O)C","BFFQTAPFPPQJQX-SBIWHPGTSA-N","5388759",NA,"PDBC38527","638464","Present"
-"Methyl (2E,4E)-5-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)-3-methylpenta-2,4-dienoate","","","","","","","","","","","","","","","","","","","","Methyl (2E,4E)-5-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)-3-methylpenta-2,4-dienoate","","CC1OCC(C(O1)C=CC(=CC(=O)OC)C)O","QNWYWFYUOBOJIF-DVBIZMGNSA-N","5388764",NA,"PDBC38528","638469","Present"
-"Methyl (2E,4E,6E,8E)-9-(4-ethynyl-1,3,5-trimethylpyrrol-2-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate","","","","","","","","","","","","","","","","","","","","Methyl (2E,4E,6E,8E)-9-(4-ethynyl-1,3,5-trimethylpyrrol-2-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate","","CC1=C(N(C(=C1C#C)C)C)C=CC(=CC=CC(=CC(=O)OC)C)C","MHDOKRPIVXSMRQ-GDKHOTECSA-N","5388757",NA,"PDBC38529","638462","Present"
-"Methyl (2R)-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2R)-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxylate","","COC1=C(C=C(C=C1)C2C(CC(=O)O2)C(=O)OC)OC","USCRXCPMYUIYBB-NCWAPJAISA-N","360097",NA,"PDBC38530","621958","Present"
-"Methyl (2R)-2-[(2-iodo-4-methoxy-3-phenylmethoxyphenyl)methyl]-4-oxo-1-[(1R)-1-phenylethyl]-2,3-dihydropyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2R)-2-[(2-iodo-4-methoxy-3-phenylmethoxyphenyl)methyl]-4-oxo-1-[(1R)-1-phenylethyl]-2,3-dihydropyridine-3-carboxylate","","CC(C1=CC=CC=C1)N2C=CC(=O)C(C2CC3=C(C(=C(C=C3)OC)OCC4=CC=CC=C4)I)C(=O)OC","XRDMPFIUWNWHJN-PQQPSFJSSA-N","401721",NA,"PDBC38531","715451","Present"
-"Methyl (2R)-2-[(4-acetyloxyphenyl)methyl]-1,3-dihydropyrazolo[1,5-a]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl(2r)-2-[(4-acetoxyphenyl)methyl]-1,3-dihydropyrazolo[1,5-a]indole-2-carboxylate","","CC(=O)OC1=CC=C(C=C1)CC2(CC3=CC4=CC=CC=C4N3N2)C(=O)OC","IPAPKRTZBPWDON-OAQYLSRUSA-N","398181",NA,"PDBC38532","707776","Present"
-"Methyl (2R)-3-(1H-indol-3-yl)-2-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonylamino]propanoate","","","","","","","","","","","","","","","","","","","","(R)-methyl 3-(1H-indol-3-yl)-2-(((((1aR,7aS,10aS,10bS,E)...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC","MMEYRAXWRZOSNR-IJZHEINKSA-N","155810470",NA,"PDBC38533","794111","Present"
-"Methyl (2R)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","(R)-methyl 2-cinnamamido-3-(1H-indol-3-yl)propanoate","","COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C=CC3=CC=CC=C3","YKNHOQVMMAPARH-TZZQJPOUSA-N","7033619",NA,"PDBC38534","772451","Present"
-"Methyl (2R)-3-[[3-methoxy-3-oxo-2-[[(E)-4-oxopent-2-en-2-yl]amino]propyl]disulfanyl]-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2R)-3-[[3-methoxy-3-oxo-2-[[(E)-4-oxopent-2-en-2-yl]amino]propyl]disulfanyl]-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanoate","","CC(=CC(=O)C)NC(CSSCC(C(=O)OC)NC(=CC(=O)C)C)C(=O)OC","AWBFVTNSJKHMQF-HVAOIQQZSA-N","5472356",NA,"PDBC38535","718133","Present"
-"Methyl (2R,3R)-3-(4-methylphenyl)sulfanyl-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl (2R,3R)-3-(4-methylphenyl)sulfanyl-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoate","","CC1=CC=C(C=C1)SC(C)C(C(=O)OC)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","QLPLLHZDUUKMOT-FOIQADDNSA-N","400069",NA,"PDBC38536","711499","Present"
-"Methyl (2R,3R,4aR,8aS)-2-[(2S,3R,7R)-7-hydroxy-3,7-dimethyloxepan-2-yl]-8a-methyl-6-oxo-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2R,3R,4aR,8aS)-2-[(2S,3R,7R)-7-hydroxy-3,7-dimethyloxepan-2-yl]-8a-methyl-6-oxo-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-3-carboxylate","","CC1CCCC(OC1C2C(CC3C(O2)(CCC(=O)O3)C)C(=O)OC)(C)O","SCIFKKFQEFQRAY-NNSUIMSBSA-N","393112",NA,"PDBC38537","694506","Present"
-"Methyl (2R,3S)-2-[(2-iodo-4-methoxy-3-phenylmethoxyphenyl)methyl]-4-oxo-3-(3-oxobutyl)-1-[(1R)-1-phenylethyl]-2H-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2R,3S)-2-[(2-iodo-4-methoxy-3-phenylmethoxyphenyl)methyl]-4-oxo-3-(3-oxobutyl)-1-[(1R)-1-phenylethyl]-2H-pyridine-3-carboxylate","","CC(C1=CC=CC=C1)N2C=CC(=O)C(C2CC3=C(C(=C(C=C3)OC)OCC4=CC=CC=C4)I)(CCC(=O)C)C(=O)OC","CJTIMRNMTKFFPZ-FZAOUCEASA-N","401720",NA,"PDBC38538","715450","Present"
-"Methyl (2R,3aS)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl(2r,3as)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate","","COC(=O)C1(CC2CC3=CC=CC=C3N2N1)CC4=CC=C(C=C4)O","WNEYFHLIWBGUFH-HNAYVOBHSA-N","398179",NA,"PDBC38539","707774","Present"
-"Methyl (2R,3aS,4S,6R)-6-ethoxy-3a-methyl-4-phenyl-3,4,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2R,3aS,4S,6R)-6-ethoxy-3a-methyl-4-phenyl-3,4,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazine-2-carboxylate","","CCOC1CC(C2(CC(ON2O1)C(=O)OC)C)C3=CC=CC=C3","OBURKRNNMHUNSS-HWMZRRJGSA-N","398022",NA,"PDBC38540","707095","Present"
-"Methyl (2R,4R,5R)-5-(2-methylheptyl)-2-(1H-pyrrol-2-yl)-1,3-oxazinane-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl(2r,4r,5r)-5-(2-methylheptyl)-2-(1h-pyrrol-2-yl)-1,3-oxazinane-4-carboxylate","","CCCCCC(C)CC1COC(NC1C(=O)OC)C2=CC=CN2","UNQFHHAPQIDJED-DMBINBHBSA-N","397630",NA,"PDBC38541","705972","Present"
-"Methyl (2R,7R,12R,16R)-8-(acetyloxymethyl)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2R,7R,12R,16R)-8-(acetyloxymethyl)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate","","CC(=O)OCC1C=C2C(C3C(O2)OC4(O3)CCCCC4)C5C1(C(=O)C=CC5=O)C(=O)OC","YNVMSYNFAFJFSE-RFXIOZLASA-N","367566",NA,"PDBC38542","637399","Present"
-"Methyl (2S)-2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]propanoate","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)OC)NC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","USVRHAGCOAUNPO-GNLSCFOOSA-N","54604666",NA,"PDBC38543","703983","Present"
-"Methyl (2S)-2-[(2-iodoacetyl)carbamoylcarbamoylamino]propanoate","","","","","","","","","","","","","","","","","","","","NSC783685","","CC(C(=O)OC)NC(=O)NC(=O)NC(=O)CI","YTAJOQIOTKXPFZ-BYPYZUCNSA-N","155810150",NA,"PDBC38544","783685","Present"
-"Methyl (2S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(4-hydroxypheny","","CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)NC(CC5=CC=C(C=C5)O)C(=O)OC)O)N(C6=CC(=C(C=C46)Br)OC)C","XRIKLRARWDXCAQ-QPHAFLMPSA-N","6712912",NA,"PDBC38545","719736","Present"
-"Methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoyl]amino]propanoate","","CC(C(=O)OC)NC(=O)C(C)N(CC=C)C(=O)OC(C)(C)C","QLOCPZNPAGGXPO-WDEREUQCSA-N","5471032",NA,"PDBC38546","707483","Present"
-"Methyl (2S)-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-3-[3-(4-methoxyphenyl)propanoyloxy]butanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-3-[3-(4-methoxyphenyl)propanoyloxy]butanoate","","CC(C)CC(C(=O)NC(C(C)OC(=O)CCC1=CC=C(C=C1)OC)C(=O)OC)N(C)C(=O)C2CCCN2C(=O)C(C)O","SPXYEBPRUABYQE-FWDYXSDKSA-N","380326",NA,"PDBC38547","665810","Present"
-"Methyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","Methyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate;2,2,2-trifluoroacetic acid","","CC(C)C(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O","NNKRVLJEHGFQJI-PPPUBMIESA-N","390389",NA,"PDBC38548","687744","Present"
-"Methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]amino]bicyclo[2.2.1]hept-5-ene-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]amino]bicyclo[2.2.1]hept-5-ene-2-","","CC(C)C(C(=O)OC)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C2C3CC(C2NC(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)OC)C=C3","RLXNTGLLKMFCPD-NNQXATGDSA-N","399223",NA,"PDBC38549","709896","Present"
-"Methyl (2S)-2-[[(2S)-2-[[2-[(2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","NSC715332///NSC715333","","COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5","LWIJGHRHOGJROI-DVTVBYSNSA-N","401631",NA,"PDBC38550","715332///715333","Present"
-"Methyl (2S)-2-[[(3-hexyl-4,5-dihydro-1,2-oxazol-5-yl)-(1H-pyrrol-3-yl)methyl]-methylamino]-3-methylbutanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-2-[[(3-hexyl-4,5-dihydro-1,2-oxazol-5-yl)-(1H-pyrrol-3-yl)methyl]-methylamino]-3-methylbutanoate","","CCCCCCC1=NOC(C1)C(C2=CNC=C2)N(C)C(C(C)C)C(=O)OC","YRPLDGBUZAZOCH-GPJFCIFZSA-N","5387220",NA,"PDBC38551","621891","Present"
-"Methyl (2S)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]-4-methylsulfanylbutanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]-4-methylsulfanylbutanoate","","CC(=CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NC(CCSC)C(=O)OC","VBJQKYLPTIHXAE-QGUORLBXSA-N","5470461",NA,"PDBC38552","702106","Present"
-"Methyl (2S)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-phenylpropanoate","","COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4","MOCDWTYZCRQHIP-YGUKWBMBSA-N","5470471",NA,"PDBC38553","702117","Present"
-"Methyl (2S)-3-(1H-indol-3-yl)-2-[(2-iodobenzoyl)amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-3-(1H-indol-3-yl)-2-[(2-iodobenzoyl)amino]propanoate","","COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3I","FZZHPXNPQQXODO-KRWDZBQOSA-N","400867",NA,"PDBC38554","713545","Present"
-"Methyl (2S)-3-(1H-indol-3-yl)-2-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonylamino]propanoate","","","","","","","","","","","","","","","","","","","","(S)-methyl 3-(1H-indol-3-yl)-2-(((((1aR,7aS,10aS,10bS,E)...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC","MMEYRAXWRZOSNR-HMKQSTIDSA-N","155817152",NA,"PDBC38555","799259","Present"
-"Methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]propanoate","","CC(=CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC","VSBQZBCKRUSGJC-ONDKDMNRSA-N","5470462",NA,"PDBC38556","702108","Present"
-"Methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate","","COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CNC(=O)C=CC4=CC(=CC=C4)OC5=CC=CC=C5","FTSAPKROXOYVHL-ITNCCAMPSA-N","5470477",NA,"PDBC38557","702123","Present"
-"Methyl (2S)-3-[[[3,5-bis(trifluoromethyl)phenyl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]sulfamoyl]amino]-2-methylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-3-[[[3,5-bis(trifluoromethyl)phenyl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]sulfamoyl]amino]-2-methylpropanoate","","CC(CNS(=O)(=O)N(C1CCN(CC1)CC2=CC=C(C=C2)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC","DDTZUGDGTUHIPG-INIZCTEOSA-N","54613270",NA,"PDBC38558","749204","Present"
-"Methyl (2S)-3-methyl-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]butanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-3-methyl-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]butanoate","","CC(C)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CC=C2)C","PUZHWKNCNDJEOO-UEBLJOKOSA-N","5470460",NA,"PDBC38559","702105","Present"
-"Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate","","COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CSC(=N3)C4=CC=CC=C4","QLAJDJRYCJNDBK-ZOGILVBSSA-N","5470488",NA,"PDBC38560","702134","Present"
-"Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate","","COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4","GIFXQMFIJPQXBL-GHYURXRVSA-N","5470467",NA,"PDBC38561","702113","Present"
-"Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate","","COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)C4=CC=CC=C4","PUTPHVJSNOIFAS-UKWOOVPBSA-N","5470464",NA,"PDBC38562","702110","Present"
-"Methyl (2S)-4-methylsulfanyl-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]butanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S)-4-methylsulfanyl-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]butanoate","","COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC(=CC=C2)OC3=CC=CC=C3","RTJDNSDEDUAYQJ-KWAUPFKJSA-N","5470490",NA,"PDBC38563","702136","Present"
-"Methyl (2S,3R)-3-(acetyloxymethyl)-2,5-bis(1,3-benzodioxol-5-yl)-2,3-dihydrofuran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2S,3R)-3-(acetyloxymethyl)-2,5-bis(1,3-benzodioxol-5-yl)-2,3-dihydrofuran-4-carboxylate","","CC(=O)OCC1C(OC(=C1C(=O)OC)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5","VYVAEGWNVJHSFQ-YCRPNKLZSA-N","360159",NA,"PDBC38564","622092","Present"
-"Methyl (2S,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2S,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","CC(=O)OCC1C(OC(=C1C(=O)OC)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC4=C(C=C3)OCO4","WCIOIFWDSIEEDR-KSFYIVLOSA-N","360161",NA,"PDBC38565","622094","Present"
-"Methyl (2S,3R)-3-(acetyloxymethyl)-5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2S,3R)-3-(acetyloxymethyl)-5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","CC(=O)OCC1C(OC(=C1C(=O)OC)C2=CC3=C(C=C2)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","IZLCLGTZWMSOLZ-KSFYIVLOSA-N","360160",NA,"PDBC38566","622093","Present"
-"Methyl (2S,3S)-2,3-diacetyloxy-3-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S,3S)-2,3-diacetyloxy-3-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoate","","CC(=O)OC(C1=NN=C2N1N=C(C=C2)Cl)C(C(=O)OC)OC(=O)C","HIWUTZMGHBFTKR-MNOVXSKESA-N","397773",NA,"PDBC38567","706196","Present"
-"Methyl (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate","","COC1=CC(=CC2=C1OC(C2C(=O)OC)C3=CC(=C(C=C3)O)OC)CCC(=O)OC","SWBRZPBRLCJMAS-VQTJNVASSA-N","384747",NA,"PDBC38568","674995","Present"
-"Methyl (2S,3S)-2-(4-hydroxyphenyl)-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl(2s,3s)-2-(4-hydroxyphenyl)-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate","","COC(=O)CCC1=CC2=C(C=C1)OC(C2C(=O)OC)C3=CC=C(C=C3)O","BJFBGTPRPAKYGH-RBUKOAKNSA-N","384754",NA,"PDBC38569","675007","Present"
-"Methyl (2S,3S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-methylpentanoate","","","","","","","","","","","","","","","","","","","","Methyl (2S,3S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-methylpentan","","CCC(C)C(C(=O)OC)NC(=O)C1(C2C3(CCN4C3C(C1O)(C=CC4)CC)C5=CC(=C(C=C5N2C)OC)Br)O","IJDDLJXMDLFBQS-NDXOVNRRSA-N","6712913",NA,"PDBC38570","719737","Present"
-"Methyl (2S,7R,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (2S,7R,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7-carboxylate","","COC(=O)C12CC=C3C(C1C(=O)CCC2=O)C4C(O3)OC5(O4)CCCCC5","HBBYRPITSKHANT-RECWNIQMSA-N","367562",NA,"PDBC38571","637395","Present"
-"Methyl (2Z)-2-(1-acetyl-2-oxo-indolin-3-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Acetic acid, (1-acetyl-2,3-dihydro-2-oxo- 3-indolylidene...","","CC(=O)N1C2=CC=CC=C2C(=CC(=O)OC)C1=O","ASWBFUSHNDQBPA-YFHOEESVSA-N","5411409",NA,"PDBC38572","682575","Present"
-"Methyl (2Z)-2-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)acetate","","CC(=O)N1C2=C(C=C(C=C2)Br)C(=CC(=O)OC)C1=O","WACRDJCCYIXPRI-POHAHGRESA-N","5408868",NA,"PDBC38573","707058","Present"
-"Methyl (2Z)-2-(2-ethynyl-3-hydroxycyclohexylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-(2-ethynyl-3-hydroxycyclohexylidene)acetate","","COC(=O)C=C1CCCC(C1C#C)O","FOCDGBOYQRCIEA-FPLPWBNLSA-N","5386822",NA,"PDBC38574","618226","Present"
-"Methyl (2Z)-2-(3-hydroxy-2-prop-1-ynylcyclohexylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-(3-hydroxy-2-prop-1-ynylcyclohexylidene)acetate","","CC#CC1C(CCCC1=CC(=O)OC)O","CFCIXLBPDBCFML-HJWRWDBZSA-N","5387028",NA,"PDBC38575","619926","Present"
-"Methyl (2Z)-2-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetate","","COC(=O)C(=C1C(=C(C(=O)O1)C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)Cl","JBQCSDVNSJFDOK-ICFOKQHNSA-N","54719013",NA,"PDBC38576","621468","Present"
-"Methyl (2Z)-2-(4-hydroxy-2-adamantylidene)acetate","","","","","","","","","","","","","","","","","","","","NSC626423///NSC626424","","COC(=O)C=C1C2CC3CC(C2)C(C1C3)O","YXWQILFVBAISMA-POHAHGRESA-N","5387738",NA,"PDBC38577","626423///626424","Present"
-"Methyl (2Z)-2-[(2-amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-3-(4-chlorophenyl)-3-cyano-propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-[(2-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinylidene]-3-(4-chlorophenyl)-3-cyanopropanoate","","COC(=O)C(=NNC1=NC(=S)NN1N)C(C#N)C2=CC=C(C=C2)Cl","FZYJCFPBQINUDU-ZDLGFXPLSA-N","9570039",NA,"PDBC38578","635334","Present"
-"Methyl (2Z)-2-[(2-amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-3-cyano-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((2-amino-5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)hydrazono)-3-cyano-3-phenylpropanoate","","COC(=O)C(=NNC1=NC(=S)NN1N)C(C#N)C2=CC=CC=C2","PHOAREIAKBDYBV-YVLHZVERSA-N","9570043",NA,"PDBC38579","635396","Present"
-"Methyl (2Z)-2-[(3Z)-3-(2-methoxy-2-oxo-ethylidene)-2-benzothiophen-1-ylidene]acetate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-[(3Z)-3-(2-methoxy-2-oxo-ethylidene)-2-benzothiophen-1-ylidene]acetate","","COC(=O)C=C1C2=CC=CC=C2C(=CC(=O)OC)S1","IISWLGQQRQEIAL-OXAWKVHCSA-N","5387803",NA,"PDBC38580","627570","Present"
-"Methyl (2Z)-2-[(aminocarbonyl)hydrazono]-3-[[(3,4-dichlorophenyl)amino](oxo)acetyl]-6-methyl-4-oxohept-5-enoate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-(carbamoylhydrazinylidene)-3-[2-(3,4-dichloroanilino)-2-oxoacetyl]-6-methyl-4-oxohept-5-enoate","","CC(=CC(=O)C(C(=NNC(=O)N)C(=O)OC)C(=O)C(=O)NC1=CC(=C(C=C1)Cl)Cl)C","NSCVUUWGVANSJI-UCQKPKSFSA-N","9571314",NA,"PDBC38581","642003","Present"
-"Methyl (2Z)-2-[1-(6-Chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)-2-hydroxy-2-(4-nitrophenyl)ethylidene]hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl N-[(E)-[1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxy-2-(4-nitrophenyl)ethylidene]amino]carbamate","","COC(=O)NN=C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(C3=CC=C(C=C3)[N+](=O)[O-])O","VBCPPHSSHJQCQP-HYARGMPZSA-N","135499167",NA,"PDBC38582","641616","Present"
-"Methyl (2Z)-2-[2,2,3-trimethyl-3-[(4-methylphenyl)sulfonylcarbamoyl]cyclopentylidene]acetate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-[2,2,3-trimethyl-3-[(4-methylphenyl)sulfonylcarbamoyl]cyclopentylidene]acetate","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2(CCC(=CC(=O)OC)C2(C)C)C","YJTIOVKGVCFPDN-OWBHPGMISA-N","5470524",NA,"PDBC38583","702439","Present"
-"Methyl (2Z)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-ylidene]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-((Z)-3-(2-(1H-indol-3-yl)ethyl)-4-oxo-2-((4-(tr...","","COC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)C(F)(F)F)S1)CCC3=CNC4=CC=CC=C43","MZMRHLWKLCWFFK-UORCZGHMSA-N","155813832",NA,"PDBC38584","795083","Present"
-"Methyl (2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)ethanimidate;hydrochloride","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)ethanimidate;hydrochloride","","COC(=N)C(=C1C(=O)C(=C(O1)N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.Cl","WSTWORGZLYUEMA-LFOWKMTASA-N","50988450",NA,"PDBC38585","621471","Present"
-"Methyl (2Z)-2-cyano-2-(3-oxoisoindolin-1-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-cyano-2-(3-oxoisoindolin-1-ylidene)acetate","","COC(=O)C(=C1C2=CC=CC=C2C(=O)N1)C#N","ILMSJJPDUFXHGP-KTKRTIGZSA-N","3004238",NA,"PDBC38586","640180","Present"
-"Methyl (2Z)-2-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4,5-dioxo-5-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)amino]pentanoate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4,5-dioxo-5-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)amino]pentanoate","","COC(=O)C(=NN)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=NC(=S)NN3","GWMLBUHUEAPILG-YVNNLAQVSA-N","5934823",NA,"PDBC38587","646797","Present"
-"Methyl (2Z)-2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate","","COCOC1=C(C=CC(=C1)OC)CC(=NO)C(=O)OC","MRTGZYFXMVIPKN-KAMYIIQDSA-N","9572150",NA,"PDBC38588","705159","Present"
-"Methyl (2Z)-3-[5-bromo-4-methoxy-2-(methoxymethoxy)phenyl]-2-hydroxyiminopropanoate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-3-[5-bromo-4-methoxy-2-(methoxymethoxy)phenyl]-2-hydroxyiminopropanoate","","COCOC1=CC(=C(C=C1CC(=NO)C(=O)OC)Br)OC","LPUXGDFUGOOBRQ-GDNBJRDFSA-N","9572151",NA,"PDBC38589","705160","Present"
-"Methyl (3,5-di-tert-butyl-4-hydroxyphenyl)(((4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl)amino)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]acetate","","CC1(C2(CCC1(OC2=O)C(=O)NC(C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)OC)C)C","CAFYNMFOENUKGP-UHFFFAOYSA-N","386881",NA,"PDBC38590","679739","Present"
-"Methyl (3-(2-methyl-1,3-dioxolan-2-yl)-4-oxo-2-azetidinyl)acetate","","","","","","","","","","","","","","","","","","","","Methyl (3-(2-methyl-1,3-dioxolan-2-yl)-4-oxo-2-azetidinyl)acetate","","CC1(OCCO1)C2C(NC2=O)CC(=O)OC","RADSUPFKGXFKEK-UHFFFAOYSA-N","373017",NA,"PDBC38591","648844","Present"
-"Methyl (3-(3-imino-5-oxo-2,3,5,7a-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazol-6-yl)-2-oxocycloheptyl)(oxo)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[3-(3-amino-5-oxo-1,7a-dihydroimidazo[2,1-c][1,2,4]triazol-6-yl)-2-oxocycloheptyl]-2-oxoacetate","","COC(=O)C(=O)C1CCCCC(C1=O)C2=NC3NN=C(N3C2=O)N","BTUDDSYILNPZQN-UHFFFAOYSA-N","367043",NA,"PDBC38592","636371","Present"
-"Methyl (3-oxo-5-phenyl-2(3H)-furanylidene)acetate","","","","","","","","","","","","","","","","","","","","LS-12647","","COC(=O)C=C1C(=O)C=C(O1)C2=CC=CC=C2","BNDXBUTZZWDWHM-XYOKQWHBSA-N","703028",NA,"PDBC38593","674912","Present"
-"Methyl (3R,3aR)-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboximidothioate;hydroiodide","","","","","","","","","","","","","","","","","","","","Methyl (3R,3aR)-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboximidothioate;hydroiodide","","CSC(=N)N1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=CC=C4.I","KZWCRUUTKWNJKC-AKXYIILFSA-N","11970008",NA,"PDBC38594","652819","Present"
-"Methyl (3S,3aS,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboximidothioate;hydroiodide","","","","","","","","","","","","","","","","","","","","Methyl (3S,3aS,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboximidothioate;hydroiodide","","CSC(=N)N1C(C2CCCC(=CC3=CC=CC=C3)C2=N1)C4=CC=CC=C4.I","UPHLQBFZEGADQL-YYFLTBMRSA-N","11970009",NA,"PDBC38595","652820","Present"
-"Methyl (3S,4S,7S,9S,11R)-11-methyl-9-[(2R)-2-phenylcyclohexyl]oxy-2,10-dioxa-1-azatricyclo[5.3.1.04,11]undecane-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (3S,4S,7S,9S,11R)-11-methyl-9-[(2R)-2-phenylcyclohexyl]oxy-2,10-dioxa-1-azatricyclo[5.3.1.04,11]undecane-3-carboxylate","","CC12C3CCC1C(ON2OC(C3)OC4CCCCC4C5=CC=CC=C5)C(=O)OC","XGCDSOUVOLRBLD-KIHBJVPNSA-N","394165",NA,"PDBC38596","697401","Present"
-"Methyl (3S,5R)-5-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylate;methyl 5-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (3S,5R)-5-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylate;methyl 5-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylate","","COC1=C(C=C(C=C1)C2CC(C(=O)O2)C(=O)OC)OC.COC1=C(C=C(C=C1)C2CC(C(=O)O2)C(=O)OC)OC","NXGFZKLSQWWAKI-QLSWKGBWSA-N","360108",NA,"PDBC38597","621964","Present"
-"Methyl (3Z)-2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-4-(2-methoxyanilino)-4-oxo-3-(pyridine-4-carbonylhydrazono)butanoate","","","","","","","","","","","","","","","","","","","","Methyl (3Z)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-(2-methoxyanilino)-4-oxo-3-(pyridine-4-carbonylhydrazinylidene)butanoate","","COC1=CC=CC=C1NC(=O)C(=NNC(=O)C2=CC=NC=C2)C(C3=NC4=C(C=C(C=C4)Cl)NC3=O)C(=O)OC","ZDYDZLAMGKYVRL-JDCMOKTRSA-N","5900391",NA,"PDBC38598","648655","Present"
-"Methyl (3Z)-3-[(aminocarbonyl)hydrazono]-4-(2-tert-butyl-6-methylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl (3Z)-4-(2-tert-butyl-6-methylanilino)-3-(carbamoylhydrazinylidene)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=NNC(=O)N)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","JCWNSGRBOZBCIS-GTWSWNCMSA-N","5818809",NA,"PDBC38599","646799","Present"
-"Methyl (3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine-2-carboxylate","","CC=C1CN2CCC3=C(C2CC1C(=O)OC)NC4=CC=CC=C34","MRTUFEKUTABFFB-KGVSQERTSA-N","5467196",NA,"PDBC38600","648232","Present"
-"Methyl (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylate","","COC(=O)C1=C(C2=CC=CC=C2C(=O)N(C=C1)C3CCCCC3)C4=CC=CC=C4","SJNBQJMZMKATKF-JEKUJBQYSA-N","5470138",NA,"PDBC38601","697939","Present"
-"Methyl (3aR,7aS)-3-oxo-3a,4,5,6,7,7a-hexahydroindene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (3aR,7aS)-3-oxo-3a,4,5,6,7,7a-hexahydroindene-1-carboxylate","","COC(=O)C1=CC(=O)C2C1CCCC2","AYJPOMUIJCKGMH-JGVFFNPUSA-N","359517",NA,"PDBC38602","620500","Present"
-"Methyl (3aS)-2-[(E)-2-(furan-3-yl)ethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (3aS)-2-[(E)-2-(furan-3-yl)ethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate","","COC(=O)C1C2CCCN2OC1C=CC3=COC=C3","OPEZLSZOYZYDFA-SNRZTVSBSA-N","5387275",NA,"PDBC38603","622349","Present"
-"Methyl (4-(5,6,7,8-tetrahydro-1-naphthalenyl)-1-piperazinyl)acetate","","","","","","","","","","","","","","","","","","","","Methyl (4-(5,6,7,8-tetrahydro-1-naphthalenyl)-1-piperazinyl)acetate","","COC(=O)CN1CCN(CC1)C2=CC=CC3=C2CCCC3","GCAWKPPICTZOIY-UHFFFAOYSA-N","379451",NA,"PDBC38604","664000","Present"
-"Methyl (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate","","","","","","","","","","","","","","","","","","","","Acetic acid, 2-[4-bromo-5-(4-bromophenyl)-3-oxo- 2-furan...","","COC(=O)C=C1C(=O)C(=C(O1)C2=CC=C(C=C2)Br)Br","LCTJQDQRNLRXMB-RMKNXTFCSA-N","5468859",NA,"PDBC38605","677936","Present"
-"Methyl (4-cyano-5-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl (4-cyano-5-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)acetate","","CN1C2=CC=CC=C2N3C1=C(C(=CC3=O)CC(=O)OC)C#N","SRGYFFYBTQARRH-UHFFFAOYSA-N","364722",NA,"PDBC38606","631380","Present"
-"Methyl (4-methoxyanilino)(phenyl)acetate","","","","","","","","","","","","","","","","","","","","Methyl (4-methoxyanilino)(phenyl)acetate","","COC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(=O)OC","NVDUMYUAVVROOP-UHFFFAOYSA-N","353880",NA,"PDBC38607","603443","Present"
-"Methyl (4R)-3-propanoyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4R)-3-propanoyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylate","","CCC(=O)N1C(CSC1=S)C(=O)OC","RMOHWQKIEHHTGH-YFKPBYRVSA-N","359471",NA,"PDBC38608","620338","Present"
-"Methyl (4R,5S)-5-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4,5-dihydro-1H-pyrazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4R,5S)-5-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4,5-dihydro-1H-pyrazole-4-carboxylate","","CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C4C(C=NN4)C(=O)OC)C","NSWMFSVTQOTTRV-VZAVHYRXSA-N","396841",NA,"PDBC38609","703865","Present"
-"Methyl (4S)-6-oxo-1,2,3,3a,4,5-hexahydroindene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4S)-6-oxo-1,2,3,3a,4,5-hexahydroindene-4-carboxylate","","COC(=O)C1CC(=O)C=C2C1CCC2","QZBFZYWSQZYEQP-AXDSSHIGSA-N","359547",NA,"PDBC38610","620531","Present"
-"Methyl (4S,5R,9R,12S,13R)-10-hydroxy-5,9,12-trimethyl-16-oxatetracyclo[11.3.1.01,10.04,9]heptadec-14-ene-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4S,5R,9R,12S,13R)-10-hydroxy-5,9,12-trimethyl-16-oxatetracyclo[11.3.1.01,10.04,9]heptadec-14-ene-5-carboxylate","","CC1CC2(C3(CCCC(C3CCC24CC1C=CO4)(C)C(=O)OC)C)O","IZTXURNBNMYWSO-CTXYIHRHSA-N","24204229",NA,"PDBC38611","731015","Present"
-"Methyl (4aR,5S,6R,8aS)-8a-(acetyloxymethyl)-5-[2-(furan-3-yl)-2-oxoethyl]-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4aR,5S,6R,8aS)-8a-(acetyloxymethyl)-5-[2-(furan-3-yl)-2-oxoethyl]-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate","","CC1CCC2(C(C1(C)CC(=O)C3=COC=C3)CCC=C2C(=O)OC)COC(=O)C","RORKGWQNRINLCW-JWDANJKUSA-N","390652",NA,"PDBC38612","688255","Present"
-"Methyl (4aR,7R)-3-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-(2-hydroxyethyl)-1-oxo-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4aR,7R)-3-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-(2-hydroxyethyl)-1-oxo-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate","","CC(CCCC1=C(C2CCC(N2C(=O)N1)CCO)C(=O)OC)O[Si](C)(C)C(C)(C)C","BLNMBDKGZWUKCH-LZLYRXPVSA-N","395097",NA,"PDBC38613","699389","Present"
-"Methyl (4aR,7R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4aR,7R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate","","CC(C)(C)[Si](C)(C)OCCCCC1=C(C2CCC(N2C(=O)N1)CCOCC3=CC=CC=C3)C(=O)OC","NQQMJVVTJUIDGT-ISKFKSNPSA-N","395096",NA,"PDBC38614","699388","Present"
-"Methyl (4aS,6Z,8E,10R,12aR)-3-(furan-3-yl)-4a,10-dimethyl-1-oxo-4,5,10,11,12,12a-hexahydro-3H-cyclodeca[c]pyran-9-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4aS,6Z,8E,10R,12aR)-3-(furan-3-yl)-4a,10-dimethyl-1-oxo-4,5,10,11,12,12a-hexahydro-3H-cyclodeca[c]pyran-9-carboxylate","","CC1CCC2C(=O)OC(CC2(CC=CC=C1C(=O)OC)C)C3=COC=C3","LDIUDVOTXDYTPG-MACIXYSOSA-N","5469449",NA,"PDBC38615","688242","Present"
-"Methyl (4aS,6Z,8E,12aR)-3-(furan-3-yl)-4a-methyl-10-methylidene-1-oxo-3,4,5,11,12,12a-hexahydrocyclodeca[c]pyran-9-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4aS,6Z,8E,12aR)-3-(furan-3-yl)-4a-methyl-10-methylidene-1-oxo-3,4,5,11,12,12a-hexahydrocyclodeca[c]pyran-9-carboxylate","","CC12CC=CC=C(C(=C)CCC1C(=O)OC(C2)C3=COC=C3)C(=O)OC","LXCZVMFGPWLGIO-GYNZAUHWSA-N","5469450",NA,"PDBC38616","688243","Present"
-"Methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,1","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC)C","GALLZJXFYJWEIY-WENNTDIFSA-N","385520",NA,"PDBC38617","676771","Present"
-"Methyl (4aS,7R)-3-methyl-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4aS,7R)-3-methyl-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate","","CC1=C(C2CCC(N2C(=O)N1)CCOCC3=CC=CC=C3)C(=O)OC","DJMSPYYIBXXFEH-CVEARBPZSA-N","395094",NA,"PDBC38618","699386","Present"
-"Methyl (4aS,7S)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4aS,7S)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate","","CC(C)(C)[Si](C)(C)OCCCCC1=C(C2CCC(N2C(=O)N1)CCOCC3=CC=CC=C3)C(=O)OC","NQQMJVVTJUIDGT-UPVQGACJSA-N","395095",NA,"PDBC38619","699387","Present"
-"Methyl (4aS,8aR)-2-[2-(1H-indol-3-yl)ethyl]-3,6-dioxo-4,4a,5,7,8,8a-hexahydro-1H-isoquinoline-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (4aS,8aR)-2-[2-(1H-indol-3-yl)ethyl]-3,6-dioxo-4,4a,5,7,8,8a-hexahydro-1H-isoquinoline-4-carboxylate","","COC(=O)C1C2CC(=O)CCC2CN(C1=O)CCC3=CNC4=CC=CC=C43","GYSBOPKNHJWPFD-HVPYXXPASA-N","359548",NA,"PDBC38620","620532","Present"
-"Methyl (5E)-5-(1-cyano-2-methoxy-2-oxoethylidene)-1-methylpyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (5E)-5-(1-cyano-2-methoxy-2-oxoethylidene)-1-methylpyrrolidine-2-carboxylate","","CN1C(CCC1=C(C#N)C(=O)OC)C(=O)OC","AKMYQFYPOHFLIG-BQYQJAHWSA-N","5388402",NA,"PDBC38621","635585","Present"
-"Methyl (5S)-5-methyl-1,3-dioxo-2-phenyl-7,8-dihydro-6H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl(8s)-8-methyl-1,3-dioxo-2-phenyl-6,7-dihydro-5h-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylate","","CC1(CCCN2N1C(=O)N(C2=O)C3=CC=CC=C3)C(=O)OC","ASZBTHSQDWJIMQ-HNNXBMFYSA-N","390197",NA,"PDBC38622","687358","Present"
-"Methyl (5S,8R)-1,3-dioxo-2-phenyl-8-prop-2-enyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (5S,8R)-1,3-dioxo-2-phenyl-8-prop-2-enyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate","","COC(=O)C1C=CC(N2N1C(=O)N(C2=O)C3=CC=CC=C3)CC=C","DEVUMAHQGHZLAX-KGLIPLIRSA-N","390196",NA,"PDBC38623","687357","Present"
-"Methyl (5S,8S)-8-cyano-1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl(5s,8s)-5-cyano-1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylate","","COC(=O)C1C=CC(N2N1C(=O)N(C2=O)C3=CC=CC=C3)C#N","QBCGTNVSOADNPU-RYUDHWBXSA-N","390195",NA,"PDBC38624","687356","Present"
-"Methyl (5Z)-5-(2-methoxy-2-oxoethylidene)pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (5Z)-5-(2-methoxy-2-oxoethylidene)pyrrolidine-2-carboxylate","","COC(=O)C=C1CCC(N1)C(=O)OC","YAMGJOYEEDDEPF-WAYWQWQTSA-N","5388401",NA,"PDBC38625","635584","Present"
-"Methyl (6R)-2-[2-(benzenesulfonyl)prop-2-enyl]-6-(1H-indol-2-yl)-7,8-dimethoxy-2-azabicyclo[2.2.2]octane-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (6R)-2-[2-(benzenesulfonyl)prop-2-enyl]-6-(1H-indol-2-yl)-7,8-dimethoxy-2-azabicyclo[2.2.2]octane-6-carboxylate","","COC1C2CC(C(C1OC)N(C2)CC(=C)S(=O)(=O)C3=CC=CC=C3)(C4=CC5=CC=CC=C5N4)C(=O)OC","XGDXQGUYPMJHTG-JCWAUGAVSA-N","397004",NA,"PDBC38626","704241","Present"
-"Methyl (6R)-2-acetyl-6-[1-(benzenesulfonyl)indol-2-yl]-8-oxo-2-azabicyclo[2.2.2]octane-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (6R)-2-acetyl-6-[1-(benzenesulfonyl)indol-2-yl]-8-oxo-2-azabicyclo[2.2.2]octane-6-carboxylate","","CC(=O)N1CC2CC(C1CC2=O)(C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C(=O)OC","CCBTYXINQAJPRZ-WWYLULBNSA-N","396982",NA,"PDBC38627","704219","Present"
-"Methyl (6R)-6-(1H-indol-2-yl)-8,8-dimethoxy-2-[2-[methoxy(methyl)amino]-2-oxoethyl]-2-azabicyclo[2.2.2]octane-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (6R)-6-(1H-indol-2-yl)-8,8-dimethoxy-2-[2-[methoxy(methyl)amino]-2-oxoethyl]-2-azabicyclo[2.2.2]octane-6-carboxylate","","CN(C(=O)CN1CC2CC(C1CC2(OC)OC)(C3=CC4=CC=CC=C4N3)C(=O)OC)OC","TWGGCRSMFQEWKK-NZBFNNPHSA-N","397000",NA,"PDBC38628","704237","Present"
-"Methyl (6R)-6-[1-(benzenesulfonyl)indol-2-yl]-2-azabicyclo[2.2.2]octane-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl(6r)-6-[1-(benzenesulfonyl)indol-2-yl]-7-azabicyclo[2.2.2]octane-6-carboxylate","","COC(=O)C1(CC2CCC1NC2)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5","LIRHMVXWHZMETN-XXLUKPGQSA-N","397001",NA,"PDBC38629","704238","Present"
-"Methyl (6R,10S,13S)-2,6,12-trimethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-ene-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (6R,10S,13S)-2,6,12-trimethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-ene-6-carboxylate","","CC1=CC2CCC3C(CCCC3(C24CCC1C4)C)(C)C(=O)OC","UPOLHSZJUNOVQW-ZDGHOCPKSA-N","5459207",NA,"PDBC38630","646017","Present"
-"Methyl (7R)-8-methyl-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (7R)-8-methyl-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate","","CC1C=C2C(C3C(O2)OC4(O3)CCCCC4)C5C1(C(=O)C=CC5=O)C(=O)OC","UEKFZHGANHISGR-FRTMKMQLSA-N","367563",NA,"PDBC38631","637396","Present"
-"Methyl (7R,12R,16R)-8-methyl-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (7R,12R,16R)-8-methyl-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7-carboxylate","","CC1C=C2C(C3C(O2)OC4(O3)CCCCC4)C5C1(C(=O)CCC5=O)C(=O)OC","WKIWXIYYKPWPBT-MTBKYURYSA-N","367564",NA,"PDBC38632","637397","Present"
-"Methyl (8R,9R)-8-(2-methoxy-2-oxoethyl)-9-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (8R,9R)-8-(2-methoxy-2-oxoethyl)-9-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate","","CC1(C(CCC12OCCO2)CC(=O)OC)C(=O)OC","PHRYXGMMIMYDCT-SKDRFNHKSA-N","6711337",NA,"PDBC38633","620041","Present"
-"Methyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6-carboxylate","","COC1=CC(=CC(=C1OC)OC)C2CC(=C(C3=CC4=C(C=C23)OCO4)O)C(=O)OC","SFGVSZCPDPXCTL-LBPRGKRZSA-N","54676212",NA,"PDBC38634","619217","Present"
-"Methyl (8S)-8-acetamido-5-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (8S)-8-acetamido-5-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-4-carboxylate","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC(=C(C=C13)O)C(=O)OC)OC)OC)OC","VOKPQOKKNBHZIX-INIZCTEOSA-N","395871",NA,"PDBC38635","700912","Present"
-"Methyl (9-oxo-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-10-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(14-oxo-11-thia-13,16,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,15-heptaen-15-yl)acetate","","COC(=O)CC1=NN2C3=C(C=CC4=CC=CC=C43)SC2=NC1=O","QRPIYPKDMDQFFZ-UHFFFAOYSA-N","365000",NA,"PDBC38636","631909","Present"
-"Methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(4-nitrophenyl)diazenyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(4-nitrophenyl)diazenyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate","","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)N=NC6=CC=C(C=C6)[N+](=O)[O-])OC)C","DMUYZDCAUJJGNI-PAVNEANLSA-N","400598",NA,"PDBC38637","712720","Present"
-"Methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-phenyldiazenyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-phenyldiazenyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate","","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)N=NC6=CC=CC=C6)OC)C","FHCOXVNPOGUPLQ-PAVNEANLSA-N","400597",NA,"PDBC38638","712719","Present"
-"Methyl (E)(1R*,2R*)-2-{2-[2-(3-fluorophenyl)cyclopropyl]phenyl}-3-methoxypropenoate","","","","","","","","","","","","","","","","","","","","Methyl (E)(1R*,2R*)-2-{2-[2-(3-fluorophenyl)cyclopropyl]...","","COC=C(C1=CC=CC=C1C2CC2C3=CC(=CC=C3)F)C(=O)OC","ANIZTFQAKSBXCA-BRVJNUKASA-N","5472688",NA,"PDBC38639","720768","Present"
-"Methyl (E)(1R*,2R*)-2-{2-[2-(4-methoxyphenyl)cyclopropyl] phenyl}-3-methoxypropenoate","","","","","","","","","","","","","","","","","","","","Methyl (E)(1R*,2R*)-2-{2-[2-(4-methoxyphenyl)cyclopropyl...","","COC=C(C1=CC=CC=C1C2CC2C3=CC=C(C=C3)OC)C(=O)OC","GRBBSRKBFCGPHD-ZWWAOTTBSA-N","5472687",NA,"PDBC38640","720767","Present"
-"Methyl (E)(1R*,2R*)-2-{2-[2-(phenyl)cyclopropyl]phenyl}-3-methoxypropenoate","","","","","","","","","","","","","","","","","","","","Methyl (E)(1R*,2R*)-2-{2-[2-(phenyl)cyclopropyl]phenyl}-...","","COC=C(C1=CC=CC=C1C2CC2C3=CC=CC=C3)C(=O)OC","RMOJPFZIQPMEHC-YHKHTGOESA-N","5472686",NA,"PDBC38641","720766","Present"
-"Methyl (E)-2-[2-(pentafluorophenoxy)]phenyl-3-methoxypropenoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-2-[2-(pentafluorophenoxy)]phenyl-3-methoxypro...","","COC=C(C1=CC=CC=C1OC2=C(C(=C(C(=C2F)F)F)F)F)C(=O)OC","LLJKQUFGOLIUJK-VQHVLOKHSA-N","5472621",NA,"PDBC38642","720482","Present"
-"Methyl (E)-2-acetyl-5-(4-chlorophenyl)hex-4-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-2-acetyl-5-(4-chlorophenyl)hex-4-enoate","","CC(=CCC(C(=O)C)C(=O)OC)C1=CC=C(C=C1)Cl","VAKUUPTXOJWYOT-ONNFQVAWSA-N","5387098",NA,"PDBC38643","620324","Present"
-"Methyl (E)-2-acetyl-5-phenylhex-4-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-2-acetyl-5-phenylhex-4-enoate","","CC(=CCC(C(=O)C)C(=O)OC)C1=CC=CC=C1","MNJUDMANVVMTDA-PKNBQFBNSA-N","5387097",NA,"PDBC38644","620323","Present"
-"Methyl (E)-2-diethoxyphosphoryl-3-(2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-2-diethoxyphosphoryl-3-(2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate","","CCOP(=O)(C(=CN1C2=CC=CC=C2NC1=S)C(=O)OC)OCC","HNJUDWYNIHDMGL-JLHYYAGUSA-N","3004575",NA,"PDBC38645","658486","Present"
-"Methyl (E)-2-diethoxyphosphoryl-3-(pyridine-4-carbothioylamino)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-2-diethoxyphosphoryl-3-(pyridine-4-carbothioylamino)prop-2-enoate","","CCOP(=O)(C(=CNC(=S)C1=CC=NC=C1)C(=O)OC)OCC","FVTWBGSNHOLSJD-ZRDIBKRKSA-N","3000995",NA,"PDBC38646","658304","Present"
-"Methyl (E)-3-(1',2'-dimethylspiro[1,3-oxathiolane-2,5'-bicyclo[4.1.0]heptane]-7'-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-(1',2'-dimethylspiro[1,3-oxathiolane-2,5'-bicyclo[4.1.0]heptane]-7'-yl)prop-2-enoate","","CC1CCC2(C3C1(C3C=CC(=O)OC)C)OCCS2","KEMPVPODOJBOPZ-SNAWJCMRSA-N","5467209",NA,"PDBC38647","648417","Present"
-"Methyl (E)-3-(2,2'-spirobi[indane]-5'-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-(2,2'-spirobi[1,3-dihydroindene]-5-yl)prop-2-enoate","","COC(=O)C=CC1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1","LMFDBWKYNJXUEE-VQHVLOKHSA-N","5926262",NA,"PDBC38648","670415","Present"
-"Methyl (E)-3-(3-methyl-2-oxo-oxazolo[4,5-b]pyridin-6-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-(3-methyl-2-oxo-oxazolo[4,5-b]pyridin-6-yl)prop-2-enoate","","CN1C2=C(C=C(C=N2)C=CC(=O)OC)OC1=O","NBNIUZXUPZNTET-ONEGZZNKSA-N","5470016",NA,"PDBC38649","696463","Present"
-"Methyl (E)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","(E)Methyl-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)...","","COC1=CC=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC","NIBDHUAZTRXCIS-MHWRWJLKSA-N","5388752",NA,"PDBC38650","638407","Present"
-"Methyl (E)-3-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-yl)prop-2-enoate","","COC(=O)C=CC1=CC2=C(CC3(C2)CC4=C(C3=O)C=C5CCCC5=C4)C=C1","WHOVBTFIWPTXGD-SOFGYWHQSA-N","5470022",NA,"PDBC38651","696656","Present"
-"Methyl (E)-3-[(2S,4E)-2-(hydroxymethyl)-4-[(Z)-octadec-9-enylidene]-5-oxooxolan-2-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-[(2S,4E)-2-(hydroxymethyl)-4-[(Z)-octadec-9-enylidene]-5-oxooxolan-2-yl]prop-2-enoate","","CCCCCCCCC=CCCCCCCCC=C1CC(OC1=O)(CO)C=CC(=O)OC","YUTZKTSDQCEUQO-CYGGBZKNSA-N","5470636",NA,"PDBC38652","703764","Present"
-"Methyl (E)-3-[2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]phenyl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-[2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]phenyl]prop-2-enoate","","CC1=CC=C(C=C1)S(=NC2=CC=CC=C2C=CC(=O)OC)(=O)C","HXCNQNHQQXBSSI-UQNNOOFXSA-N","24202623",NA,"PDBC38653","716715","Present"
-"Methyl (E)-3-indan-5-ylprop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-indan-5-ylprop-2-enoate","","COC(=O)C=CC1=CC2=C(CCC2)C=C1","DMJICDVHTUMQHN-SOFGYWHQSA-N","5923570",NA,"PDBC38654","670460","Present"
-"Methyl (E)-4-[(4-oxo-6-bicyclo[3.1.0]hexanyl)methoxy]but-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-4-[(4-oxo-6-bicyclo[3.1.0]hexanyl)methoxy]but-2-enoate","","COC(=O)C=CCOCC1C2C1C(=O)CC2","VLNKEZYMKJSLPJ-NSCUHMNNSA-N","5469499",NA,"PDBC38655","689218","Present"
-"Methyl (E)-7-[2-[(E)-7-methoxy-7-oxo-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-7-[2-[(E)-7-methoxy-7-oxo-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate","","COC(=O)C=CCCC#CC1=CC=CC=C1C#CCCC=CC(=O)OC","AKYDCTYGZABMQP-BEQMOXJMSA-N","6182119",NA,"PDBC38656","673597","Present"
-"Methyl (NE,4Z)-N-[(2,4-dichlorophenyl)methylidene]pyridine-4-carbohydrazonate","","","","","","","","","","","","","","","","","","","","Methyl (NE,4Z)-N-[(2,4-dichlorophenyl)methylidene]pyridine-4-carbohydrazonate","","COC(=NN=CC1=C(C=C(C=C1)Cl)Cl)C2=CC=NC=C2","RKNUAIKYGSXBOM-UPVQPNEJSA-N","9555924",NA,"PDBC38657","655511","Present"
-"Methyl (NE,4Z)-N-[(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate","","","","","","","","","","","","","","","","","","","","Methyl (NE,4Z)-N-[(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate","","COC1=CC(=C(C=C1)C=NN=C(C2=CC=NC=C2)OC)OC","WITGRXOIIKZWJA-DZKKHAQYSA-N","9555926",NA,"PDBC38658","655513","Present"
-"Methyl (NE,4Z)-N-[(2,5-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate","","","","","","","","","","","","","","","","","","","","Methyl (NE,4Z)-N-[(2,5-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate","","COC1=CC(=C(C=C1)OC)C=NN=C(C2=CC=NC=C2)OC","XSXSVERHJYPHJM-DZKKHAQYSA-N","9555927",NA,"PDBC38659","655514","Present"
-"Methyl (NE,4Z)-N-[(2-fluorophenyl)methylene]pyridine-4-carbohydrazonate","","","","","","","","","","","","","","","","","","","","Methyl (NE,4Z)-N-[(2-fluorophenyl)methylene]pyridine-4-carbohydrazonate","","COC(=NN=CC1=CC=CC=C1F)C2=CC=NC=C2","PUMSNFUIIISMGR-CEKGWZEMSA-N","9555919",NA,"PDBC38660","655506","Present"
-"Methyl (NE,4Z)-N-[(3,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate","","","","","","","","","","","","","","","","","","","","Methyl (NE,4Z)-N-[(3,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate","","COC1=C(C=C(C=C1)C=NN=C(C2=CC=NC=C2)OC)OC","DBCYSPABLGQQJE-DZKKHAQYSA-N","9555928",NA,"PDBC38661","655515","Present"
-"Methyl (NE,4Z)-N-[(3-chlorophenyl)methylene]pyridine-4-carbohydrazonate","","","","","","","","","","","","","","","","","","","","Methyl (NE,4Z)-N-[(3-chlorophenyl)methylene]pyridine-4-carbohydrazonate","","COC(=NN=CC1=CC(=CC=C1)Cl)C2=CC=NC=C2","QBMOSBOVRRXVHY-CEKGWZEMSA-N","9555920",NA,"PDBC38662","655507","Present"
-"Methyl (NE,4Z)-N-[(4-chlorophenyl)methylene]pyridine-4-carbohydrazonate","","","","","","","","","","","","","","","","","","","","Methyl (NE,4Z)-N-[(4-chlorophenyl)methylene]pyridine-4-carbohydrazonate","","COC(=NN=CC1=CC=C(C=C1)Cl)C2=CC=NC=C2","HCYTWDDFZWJQLP-CEKGWZEMSA-N","9555921",NA,"PDBC38663","655508","Present"
-"Methyl (NE,4Z)-N-[[4-(trifluoromethyl)phenyl]methylidene]pyridine-4-carbohydrazonate","","","","","","","","","","","","","","","","","","","","Methyl (NE,4Z)-N-[[4-(trifluoromethyl)phenyl]methylidene]pyridine-4-carbohydrazonate","","COC(=NN=CC1=CC=C(C=C1)C(F)(F)F)C2=CC=NC=C2","VPTSOWHPWQWQPH-XAMHROORSA-N","9555923",NA,"PDBC38664","655510","Present"
-"Methyl (NZ,4Z)-N-benzylidenepyridine-4-carbohydrazonate","","","","","","","","","","","","","","","","","","","","NSC655505","","COC(=NN=CC1=CC=CC=C1)C2=CC=NC=C2","WFZRQYYNAWGLDV-MJZIEMGNSA-N","5833464",NA,"PDBC38665","655505","Present"
-"Methyl (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]tetradec-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (E)-and (Z)-2-[4(tert-butyldimethylsilyl)oxy]-1-o...","","CCCCCCCCCCCC=C(C(=O)CCCO[Si](C)(C)C(C)(C)C)C(=O)OC","WEMWJUBBKZCHBE-QOCHGBHMSA-N","5468669",NA,"PDBC38666","674059","Present"
-"Methyl (Z)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate","","COC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C#N","IOBKECCKVFEPRK-HJWRWDBZSA-N","24203786",NA,"PDBC38667","729518","Present"
-"Methyl (Z)-2-diethoxyphosphoryl-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-2-diethoxyphosphoryl-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enoate","","CCOP(=O)(C(=CN1C=CC(=O)NC1=S)C(=O)OC)OCC","SRDJUQZKMPKQOH-HJWRWDBZSA-N","3004592",NA,"PDBC38668","658509","Present"
-"Methyl (Z)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilyloxypent-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilyloxypent-2-enoate","","CC(=C(CCC1(OCCO1)C)O[Si](C)(C)C)C(=O)OC","MTGBZTUPUUIXSN-QXMHVHEDSA-N","5387113",NA,"PDBC38669","620507","Present"
-"Methyl (Z)-3-(3,5-dioxo-1,2,4-triazin-2-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-(3,5-dioxo-1,2,4-triazin-2-yl)prop-2-enoate","","COC(=O)C=CN1C(=O)NC(=O)C=N1","AHUQDSKNXLAQJN-IHWYPQMZSA-N","54608859",NA,"PDBC38670","678964","Present"
-"Methyl (Z)-3-(5-bromoindol-3-yl)-2-bromoacrylate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-(5-bromoindol-3-yl)-2-bromoacrylate","","COC(=O)C(=CC1=CNC2=C1C=C(C=C2)Br)Br","JTZWNQCPSRJHQQ-WMZJFQQLSA-N","45028205",NA,"PDBC38671","741638","Present"
-"Methyl (Z)-3-(6-bromo-3,5-dioxo-1,2,4-triazin-2-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-(6-bromo-3,5-dioxo-1,2,4-triazin-2-yl)prop-2-enoate","","COC(=O)C=CN1C(=O)NC(=O)C(=N1)Br","DUFGWSDJDNSRNI-IHWYPQMZSA-N","54601773",NA,"PDBC38672","678965","Present"
-"Methyl (Z)-3-(6-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-(6-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate","","CC1=CC(=O)NC(=O)N1C=CC(=O)OC","FDCGQGOKMDOZFM-ARJAWSKDSA-N","5469128",NA,"PDBC38673","683554","Present"
-"Methyl (Z)-3-(benzotriazol-2-yl)but-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-(benzotriazol-2-yl)but-2-enoate","","CC(=CC(=O)OC)N1N=C2C=CC=CC2=N1","RQRPKFXOAWHFAH-FPLPWBNLSA-N","5469193",NA,"PDBC38674","684116","Present"
-"Methyl (Z)-3-[2-[(2,4-dimethoxyphenyl)methyl-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]amino]-2-oxoethyl]hex-4-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-[2-[(2,4-dimethoxyphenyl)methyl-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]amino]-2-oxoethyl]hex-4-enoate","","CC=CC(CC(=O)N(CCC1CN(C2=CC=CC=C12)S(=O)(=O)C(F)(F)F)CC3=C(C=C(C=C3)OC)OC)CC(=O)OC","BLMPQFWOHMUDNE-YVMONPNESA-N","5470067",NA,"PDBC38675","697249","Present"
-"Methyl (Z)-3-[2-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethylamino]-2-oxoethyl]hex-4-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-[2-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethylamino]-2-oxoethyl]hex-4-enoate","","CC=CC(CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)C3=CC=CC=C3)CC(=O)OC","BVJFCCNOJBMUCX-OQFOIZHKSA-N","5470059",NA,"PDBC38676","697227","Present"
-"Methyl (Z)-3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]hex-4-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]hex-4-enoate","","CC=CC(CC(=O)NCCC1=CNC2=CC=CC=C21)CC(=O)OC","ANGOVAYFFVSBME-UTCJRWHESA-N","5470057",NA,"PDBC38677","697224","Present"
-"Methyl (Z)-3-[2-[2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethylamino]-2-oxoethyl]hex-4-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-[2-[2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethylamino]-2-oxoethyl]hex-4-enoate","","CC=CC(CC(=O)NCCC1CN(C2=CC=CC=C12)S(=O)(=O)C3=CC=C(C=C3)C)CC(=O)OC","VORYGQGILYLDSL-DAXSKMNVSA-N","5470062",NA,"PDBC38678","697236","Present"
-"Methyl (Z)-3-[2-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-oxoethyl]hex-4-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-[2-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-oxoethyl]hex-4-enoate","","CC=CC(CC(=O)NCC(=O)C1=CNC2=CC=CC=C21)CC(=O)OC","UVTWAMSQYSYUQT-UTCJRWHESA-N","5470058",NA,"PDBC38679","697225","Present"
-"Methyl (Z)-3-[2-oxo-2-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethylamino]ethyl]hex-4-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-[2-oxo-2-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethylamino]ethyl]hex-4-enoate","","CC=CC(CC(=O)NCCC1CN(C2=CC=CC=C12)S(=O)(=O)C(F)(F)F)CC(=O)OC","HCSOIGCKTKAPKO-UTCJRWHESA-N","5470063",NA,"PDBC38680","697239","Present"
-"Methyl (Z)-3-[4-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-2-sulfanylidenepyrimidin-1-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-3-[4-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-2-sulfanylidenepyrimidin-1-yl]prop-2-enoate","","COC(=O)C=CN1C=CC(=NC1=S)SC=CC(=O)OC","SCJDQXFLCJMGRE-IUNAMMOKSA-N","54602168",NA,"PDBC38681","678966","Present"
-"Methyl (Z)-4,4-dicyano-4-[(4-methoxyphenyl)methylideneamino]but-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-4,4-dicyano-4-[(4-methoxyphenyl)methylideneamino]but-2-enoate","","COC1=CC=C(C=C1)C=NC(C=CC(=O)OC)(C#N)C#N","ZDMDZPQMOOBVIE-HDKKCLFBSA-N","5471062",NA,"PDBC38682","708046","Present"
-"Methyl (Z)-4,4-dicyano-4-[(4-methylphenyl)methylideneamino]but-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-4,4-dicyano-4-[(4-methylphenyl)methylideneamino]but-2-enoate","","CC1=CC=C(C=C1)C=NC(C=CC(=O)OC)(C#N)C#N","LYVHRGNWZYNQDU-HDKKCLFBSA-N","5471061",NA,"PDBC38683","708045","Present"
-"Methyl (Z)-4-(benzylideneamino)-4,4-dicyanobut-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-4-(benzylideneamino)-4,4-dicyanobut-2-enoate","","COC(=O)C=CC(C#N)(C#N)N=CC1=CC=CC=C1","BNKLTFHOSGNCPM-ZYHQWUINSA-N","5471060",NA,"PDBC38684","708044","Present"
-"Methyl (Z)-4-[[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]amino]but-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl (Z)-4-[[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]amino]but-2-enoate","","CCN(CC)CCN1C2=C(C=C(C=C2)NCC=CC(=O)OC)N=C1CC3=CC=C(C=C3)OCC","GPXNTZOSFUIRMY-HJWRWDBZSA-N","5471055",NA,"PDBC38685","707841","Present"
-"Methyl (benzoylamino)(2-furyl)acetate","","","","","","","","","","","","","","","","","","","","Methyl (benzoylamino)(2-furyl)acetate","","COC(=O)C(C1=CC=CO1)NC(=O)C2=CC=CC=C2","ROGOXUBLRMYRIL-UHFFFAOYSA-N","375599",NA,"PDBC38686","655423","Present"
-"Methyl (phenylthio)acetate","","","","","","","","","","","","","","","","","","","","Q63409774","","COC(=O)CSC1=CC=CC=C1","MUNSXQQODXYRKI-UHFFFAOYSA-N","123375",NA,"PDBC38687","620044","Present"
-"Methyl 1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","COC(=O)C1CC2=C(C1)C=C3CCCC3=C2","YBIYVDBNDKGACL-UHFFFAOYSA-N","385664",NA,"PDBC38688","677010","Present"
-"Methyl 1,2,3-thiadiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","C4H4N2O2S","","COC(=O)C1=CSN=N1","RRPSHAIKHFOJOS-UHFFFAOYSA-N","373777",NA,"PDBC38689","650741","Present"
-"Methyl 1,3-Dimethyl-5-oxo-6-phenyl-5H-pyrrolizine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1,3-Dimethyl-5-oxo-6-phenyl-5H-pyrrolizine-2-carb...","","CC1=C2C=C(C(=O)N2C(=C1C(=O)OC)C)C3=CC=CC=C3","GBMHDLBRGXSVSK-UHFFFAOYSA-N","11403273",NA,"PDBC38690","746993","Present"
-"Methyl 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-1-ium-5-carboxylate","","","","","","","","","","","","","","","","","","","","6-(methoxycarbonyl)-1,3-bis(naphthalen-2-ylmethyl)benzo[...","","COC(=O)C1=CC2=C(C=C1)[N+](=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","DHMORDPEUAVKCJ-UHFFFAOYSA-N","134155213",NA,"PDBC38691","791488","Present"
-"Methyl 1,3-dimethylaziridine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1,3-dimethylaziridine-2-carboxylate","","CC1C(N1C)C(=O)OC","RQTKQDQOBBACGS-UHFFFAOYSA-N","358993",NA,"PDBC38692","619201","Present"
-"Methyl 1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate","","COC(=O)C1=CCC2C3=C(CCN2C1)C4=CC=CC=C4N3","KPCVECZIWABMFF-UHFFFAOYSA-N","372785",NA,"PDBC38693","648409","Present"
-"Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate","","","","","","","","","","","","","","","","","","","","DYHGYAOSFBZYRW-UHFFFAOYSA-N","","COC(=O)C1CCCC2(C1)OCCO2","DYHGYAOSFBZYRW-UHFFFAOYSA-N","372311",NA,"PDBC38694","647370","Present"
-"Methyl 1,5,11-trimethyl-1,6-dihydropyrido[4,3-b]carbazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1,5,11-trimethyl-1,6-dihydro-2H-pyrido[4,3-b]carbazole-2-carboxylate","","CC1C2=C(C3=C(C(=C2C=CN1C(=O)OC)C)NC4=CC=CC=C43)C","ACLHFPGAOVTLOA-UHFFFAOYSA-N","370278",NA,"PDBC38695","643124","Present"
-"Methyl 1,5-dithiaspiro[5.11]heptadecane-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1,5-dithiaspiro[5.11]heptadecane-7-carboxylate","","COC(=O)C1CCCCCCCCCCC12SCCCS2","VZODJMCAGIPYGN-UHFFFAOYSA-N","380708",NA,"PDBC38696","666414","Present"
-"Methyl 1-(((benzyloxy)carbonyl)amino)-2-(1H-indol-3-yl)ethyl(methyl)phosphinate","","","","","","","","","","","","","","","","","","","","Methyl 1-(((benzyloxy)carbonyl)amino)-2-(1H-indol-3-yl)ethyl(methyl)phosphinate","","COP(=O)(C)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3","ZYBIYCYBPVQLCJ-UHFFFAOYSA-N","382174",NA,"PDBC38697","669633","Present"
-"Methyl 1-((2-(bis(tert-butoxycarbonyl)amino)-3-phenylpropanoyl)amino)cyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-((2-(bis(tert-butoxycarbonyl)amino)-3-phenylpropanoyl)amino)cyclopentanecarboxylate","","CC(C)(C)OC(=O)N(C(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)OC)C(=O)OC(C)(C)C","FOHSGAMIEFLXMI-UHFFFAOYSA-N","383840",NA,"PDBC38698","672456","Present"
-"Methyl 1-((4-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoyl)amino)cycloheptanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-((4-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoyl)amino)cycloheptanecarboxylate","","COC(=O)C1(CCCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","MXPRDGMULCNPOW-UHFFFAOYSA-N","382347",NA,"PDBC38699","669816","Present"
-"Methyl 1-((4-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-((4-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate","","CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC2(CC2)C(=O)OC","UWMNVBLVCRDVBN-UHFFFAOYSA-N","382318",NA,"PDBC38700","669776","Present"
-"Methyl 1-((4-chlorophenyl)(imino)methyl)-5-ethyl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-((4-chlorophenyl)(imino)methyl)-5-ethyl-1H-pyrrole-3-carboxylate","","CCC1=CC(=CN1C(=N)C2=CC=C(C=C2)Cl)C(=O)OC","OBUPZQNUNYQMCM-UHFFFAOYSA-N","362250",NA,"PDBC38701","625854","Present"
-"Methyl 1-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate","","CC(C)(C)OC(=O)CC(C(=O)NC1(CC1)C(=O)OC)NC(=O)OC(C)(C)C","LWGLVPIXTYTBQW-UHFFFAOYSA-N","382348",NA,"PDBC38702","669817","Present"
-"Methyl 1-((ethoxycarbonyl)amino)-2,5-dimethyl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-((ethoxycarbonyl)amino)-2,5-dimethyl-1H-pyrrole-3-carboxylate","","CCOC(=O)NN1C(=CC(=C1C)C(=O)OC)C","MLWABOYPGMINGT-UHFFFAOYSA-N","371430",NA,"PDBC38703","645650","Present"
-"Methyl 1-(1,3-benzodioxol-5-yl(3,4,5-trimethoxyphenyl)methyl)-5-oxo-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(1,3-benzodioxol-5-yl(3,4,5-trimethoxyphenyl)methyl)-5-oxo-2-pyrrolidinecarboxylate","","COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)N4C(CCC4=O)C(=O)OC","DKDFQLPOZLZRJO-UHFFFAOYSA-N","384216",NA,"PDBC38704","673621","Present"
-"Methyl 1-(2,4-dichloroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Methyl 1-(2,4-dichloroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate","","COC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C=C(C=C1)Cl)Cl","PCPBBUYIFYYHHP-UHFFFAOYSA-N","383583",NA,"PDBC38705","672001","Present"
-"Methyl 1-(2-((tert-butoxycarbonyl)amino)-3-(1-((4-methylphenyl)sulfonyl)-1H-imidazol-4-yl)propanoyl)-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)N3CCCC3C(=O)OC)NC(=O)OC(C)(C)C","ZEVDQUKAHQXLHH-UHFFFAOYSA-N","381636",NA,"PDBC38706","668458","Present"
-"Methyl 1-(2-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(2-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate","","COC(=O)C1CC2=C(C(N1)C3=CC=CC=C3O)NC4=CC=CC=C24","XAVCGIXOYOYBPX-UHFFFAOYSA-N","363930",NA,"PDBC38707","629418","Present"
-"Methyl 1-(2-methoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(2-methoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxopyrrolidine-2-carboxylate","","COC(=O)C1CCC(=N1)N2C(CCC2=O)C(=O)OC","DWAVYBBZNVKVJT-UHFFFAOYSA-N","367279",NA,"PDBC38708","636829","Present"
-"Methyl 1-(2-phenylethyl)-4,5-dihydro-1H-imidazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(2-phenylethyl)-4,5-dihydro-1H-imidazole-5-carboxylate","","COC(=O)C1CN=CN1CCC2=CC=CC=C2","IYYQUXRQRNHSEK-UHFFFAOYSA-N","379615",NA,"PDBC38709","664322","Present"
-"Methyl 1-(3-(hydroxymethyl)quinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","methyl 1-(3-(hydroxymethyl)quinolin-2-yl)-9H-pyrido[3,4-...","","COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5C=C4CO","QFIHNMXPRNRZBI-UHFFFAOYSA-N","23584224",NA,"PDBC38710","742033","Present"
-"Methyl 1-(3-chloro-2-hydroxypropyl)triazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(3-chloro-2-hydroxypropyl)-1h-1,2,3-triazole-4-carboxylate","","COC(=O)C1=CN(N=N1)CC(CCl)O","BBUPIPOMXSCXFS-UHFFFAOYSA-N","386535",NA,"PDBC38711","678967","Present"
-"Methyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate","","CCOC(=O)CCC1(CCCC1=O)C(=O)OC","USAFHQIQHMLVNP-UHFFFAOYSA-N","371782",NA,"PDBC38712","646226","Present"
-"Methyl 1-(4-[(11aR)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxybutyl)-2-(1-methyl-1H-3-indolyl)-1H-benzo[d]imidazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","methyl 1-(4-[(11aR)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro...","","CN1C2=CC=CC=C2C=C1C3=NC4=C(N3CCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC)C=C(C=C4)C(=O)OC","ZUCUXVICLPAASK-DEOSSOPVSA-N","45028743",NA,"PDBC38713","744020","Present"
-"Methyl 1-(4-chlorobenzenecarboximidoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(4-chlorobenzenecarboximidoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate","","COC(=O)C1=NN(C2=C1CCCCC2)C(=N)C3=CC=C(C=C3)Cl","RVXVIZCGOIGECA-UHFFFAOYSA-N","362239",NA,"PDBC38714","625843","Present"
-"Methyl 1-(4-chlorobenzenecarboximidoyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(4-chlorobenzenecarboximidoyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate","","COC(=O)C1=NN(C2=C1CCC2)C(=N)C3=CC=C(C=C3)Cl","DOXXTSWCXKANMT-UHFFFAOYSA-N","362238",NA,"PDBC38715","625842","Present"
-"Methyl 1-(4-ethoxy-4-oxobutyl)triazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(4-ethoxy-4-oxobutyl)-1h-1,2,3-triazole-4-carboxylate","","CCOC(=O)CCCN1C=C(N=N1)C(=O)OC","LLDVPIYBVOKDRC-UHFFFAOYSA-N","386526",NA,"PDBC38716","678958","Present"
-"Methyl 1-(4-hydroxybutyl)triazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(4-hydroxybutyl)-1h-1,2,3-triazole-4-carboxylate","","COC(=O)C1=CN(N=N1)CCCCO","OGZSCAIOEFIJMT-UHFFFAOYSA-N","386525",NA,"PDBC38717","678957","Present"
-"Methyl 1-(5-bromopentyl)-2-oxocyclododecanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(5-bromopentyl)-2-oxocyclododecanecarboxylate","","COC(=O)C1(CCCCCCCCCCC1=O)CCCCCBr","KAFMNJQGYAERTN-UHFFFAOYSA-N","380712",NA,"PDBC38718","666418","Present"
-"Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-oxo-1H-quinolin-3-yl)benzimidazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-oxo-1H-quinolin-3-yl)benzimidazole-5-carboxylate","","CC(C)(C)C1=CC(=NN1)N2C3=C(C=C(C=C3)C(=O)OC)N=C2C4=CC5=CC=CC=C5NC4=O","VZXYQDKPWYDWJF-UHFFFAOYSA-N","135968230",NA,"PDBC38719","751042","Present"
-"Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)benzimidazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)benzimidazole-5-carboxylate","","CC(C)(C)C1=CC(=NN1)N2C3=C(C=C(C=C3)C(=O)OC)N=C2C4=CC=C(C=C4)Cl","QBXSFEQYLUYSMX-UHFFFAOYSA-N","54578484",NA,"PDBC38720","751038","Present"
-"Methyl 1-(6-bromo-1,3-benzodioxole-5-carbonyl)-2,3-dihydroindole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(6-bromo1,3-benzodioxole-5-carbonyl)indoline-5-carboxylate","","COC(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C3=CC4=C(C=C3Br)OCO4","SKTMKSIVVBARAJ-UHFFFAOYSA-N","397465",NA,"PDBC38721","705323","Present"
-"Methyl 1-(acetylamino)-2-phenylethylcarbamate","","","","","","","","","","","","","","","","","","","","Methyl 1-(acetylamino)-2-phenylethylcarbamate","","CC(=O)NC(CC1=CC=CC=C1)NC(=O)OC","FGCIOYAJNGEVDF-UHFFFAOYSA-N","381470",NA,"PDBC38722","668057","Present"
-"Methyl 1-(benzenesulfonyl)-4-[(E)-3-oxo-4-phenyl-but-1-enyl]pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-(3-oxo-4-phenyl-1-butenyl)-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate","","COC(=O)C1=CC(=CN1S(=O)(=O)C2=CC=CC=C2)C=CC(=O)CC3=CC=CC=C3","SWLHUGMLBFRACF-OUKQBFOZSA-N","5468941",NA,"PDBC38723","679534","Present"
-"Methyl 1-(bis(3,4,5-trimethoxyphenyl)methyl)-5-oxo-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(bis(3,4,5-trimethoxyphenyl)methyl)-5-oxo-2-pyrrolidinecarboxylate","","COC1=CC(=CC(=C1OC)OC)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C(CCC3=O)C(=O)OC","ZQMFYUYUXTWSHO-UHFFFAOYSA-N","393634",NA,"PDBC38724","695842","Present"
-"Methyl 1-(dimethylamino)-6-ethyl-7-oxobicyclo[2.2.1]hept-5-ene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(dimethylamino)-6-ethyl-7-oxobicyclo[2.2.1]hept-5-ene-2-carboxylate","","CCC1=CC2CC(C1(C2=O)N(C)C)C(=O)OC","RPVRFXHMIMBOLH-UHFFFAOYSA-N","363715",NA,"PDBC38725","628874","Present"
-"Methyl 1-(dimethylamino)-6-hydroxy-5,10-dioxo-4H-benzo[g]quinoline-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(dimethylamino)-6-hydroxy-5,10-dioxo-4H-benzo[g]quinoline-4-carboxylate","","CN(C)N1C=CC(C2=C1C(=O)C3=C(C2=O)C(=CC=C3)O)C(=O)OC","BQUIYVYCBJPAOT-UHFFFAOYSA-N","388893",NA,"PDBC38726","684119","Present"
-"Methyl 1-(ethoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(ethoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate","","CCOC(=O)NN1C(=C(C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C1=O)C(=O)OC)C","YZRZDTNDAQZRRT-UHFFFAOYSA-N","365760",NA,"PDBC38727","633790","Present"
-"Methyl 1-(methoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-(methoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate","","CC1=C(C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N1NC(=O)OC)C(=O)OC","CJSRFSUNOCMHRE-UHFFFAOYSA-N","365759",NA,"PDBC38728","633789","Present"
-"Methyl 1-[(1R,6E,10E,14R)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]cyclopropane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[(1R,6E,10E,14R)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]cyclopropane-1-carboxylate","","CC1=CCCC2(C(O2)CC(CCC(=CCC1)C)C3(CC3)C(=O)OC)C","ZJLINNRFYKKXGE-AOOWCRJMSA-N","24202894",NA,"PDBC38729","726180","Present"
-"Methyl 1-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]cyclopropane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]cyclopropane-1-carboxylate","","CC1CCCC(=CCCC2(C(CC(C(C1O)O2)C3(CC3)C(=O)OC)O)C)C","KHHOOLUXFFPRTF-AHBGHTJRSA-N","5469632",NA,"PDBC38730","690974","Present"
-"Methyl 1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","2-Pyrrolidinecarboxlic acid, 1-[.alpha.-(4-methoxyphenyl...","","COC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C(CCC3=O)C(=O)OC","QAKWKFBDSZKEDA-UHFFFAOYSA-N","384217",NA,"PDBC38731","673622","Present"
-"Methyl 1-[(E)-N-[(3,4-dichlorophenyl)carbamoylamino]-C-methylcarbonimidoyl]-5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[(E)-N-[(3,4-dichlorophenyl)carbamoylamino]-C-methylcarbonimidoyl]-5-oxopyrrolidine-2-carboxylate","","CC(=NNC(=O)NC1=CC(=C(C=C1)Cl)Cl)N2C(CCC2=O)C(=O)OC","MZAIMLDRPPQLPG-UFWORHAWSA-N","9570048",NA,"PDBC38732","635581","Present"
-"Methyl 1-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate","","COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4C(CCC4=O)C(=O)OC","NIUHAHUFZKQQOF-UHFFFAOYSA-N","384221",NA,"PDBC38733","673626","Present"
-"Methyl 1-[1-naphthyl-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[1-naphthyl-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate","","COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC3=CC=CC=C32)N4C(CCC4=O)C(=O)OC","JVSZCAMFRJWINK-UHFFFAOYSA-N","463773",NA,"PDBC38734","695844","Present"
-"Methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylsulfanyl-7a-hydroxy-2,5-dioxo-3,4-dihydroindole-3a-carboxylate","","","","","","","","","","","","","","","","","","","","methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylsulfanyl-7a-hydroxy-2,5-dioxo-3,4-dihydroindole-3a-carboxylate","","CCSC1=CC2(C(CC1=O)(CC(=O)N2CCC3=CC(=C(C=C3)OC)OC)C(=O)OC)O","SVESEITYASXFEY-UHFFFAOYSA-N","397463",NA,"PDBC38735","705321","Present"
-"Methyl 1-[2-(4-methoxyphenyl)acetyl]-5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[2-(4-methoxyphenyl)acetyl]-5-oxopyrrolidine-2-carboxylate","","COC1=CC=C(C=C1)CC(=O)N2C(CCC2=O)C(=O)OC","DEKOMQKSXAUMSY-UHFFFAOYSA-N","367291",NA,"PDBC38736","636839","Present"
-"Methyl 1-[2-(diethylamino)ethyl]-7-methyl-3,4-dihydroisothiochromene-1-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Methyl 1-(2-diethylaminoethyl)-7-methyl-isothiochroman-1-carboxylate hydrochloride","","CCN(CC)CCC1(C2=C(CCS1)C=CC(=C2)C)C(=O)OC.Cl","RMSUHLXQCPTDRD-UHFFFAOYSA-N","396311",NA,"PDBC38737","702049","Present"
-"Methyl 1-[7-[bis-(4-methylphenyl)sulfonylamino]-3-(hydroxymethyl)-6-methoxyquinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[7-[bis-(4-methylphenyl)sulfonylamino]-3-(hydroxymethyl)-6-methoxyquinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=NC(=C(C=C3C=C2OC)CO)C4=C5C(=CC(=N4)C(=O)OC)C6=CC=CC=C6N5)S(=O)(=O)C7=CC=C(C=C7)C","RJLZRLDSQQXPBY-UHFFFAOYSA-N","45028275",NA,"PDBC38738","742035","Present"
-"Methyl 1-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]amino]cyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[[2-[[2-[[2-[[3-(1H-indol-3-yl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)ox","","CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)OC)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)OC(C)(C)C","BWWCPKRSUNJMJF-UHFFFAOYSA-N","461803",NA,"PDBC38739","672663","Present"
-"Methyl 1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxo-pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxo-pyrrolidine-2-carboxylate","","COC(=O)C1CCC(=O)N1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5","PXLSWHBCHOHGNX-UHFFFAOYSA-N","384222",NA,"PDBC38740","673627","Present"
-"Methyl 1-[bis(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-[bis(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate","","COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3C(CCC3=O)C(=O)OC","QRRHPMVRAFWLHO-UHFFFAOYSA-N","384220",NA,"PDBC38741","673625","Present"
-"Methyl 1-acetyl-5-thioxo-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-acetyl-5-thioxo-2-pyrrolidinecarboxylate","","CC(=O)N1C(CCC1=S)C(=O)OC","BJIXWISSPWFGNE-UHFFFAOYSA-N","392805",NA,"PDBC38742","693724","Present"
-"Methyl 1-allyl-2-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-allyl-2-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-3-carboxylate","","COC(=O)C1C(=O)C(C2N1CCC3=C2NC4=CC=CC=C34)CC=C","UNYOSZHECOEITR-UHFFFAOYSA-N","372202",NA,"PDBC38743","647153","Present"
-"Methyl 1-amino-3-phenylpyrrolo[2,1-b][1,3]benzothiazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-amino-3-phenylpyrrolo[2,1-b][1,3]benzothiazole-2-carboxylate","","COC(=O)C1=C(N2C3=CC=CC=C3SC2=C1C4=CC=CC=C4)N","FZKVGINZKGLCRY-UHFFFAOYSA-N","396180",NA,"PDBC38744","701728","Present"
-"Methyl 1-amino-6,7,8,9,10,11-hexahydrocycloocta[2,1-d]thiopheno[2,3-b]pyridine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-amino-5-thia-7-azatricyclo[7.6.0.02,6]pentadeca-1,3,6,8-tetraene-4-carboxylate","","COC(=O)C1=C(C2=C3CCCCCCC3=CN=C2S1)N","PJZDQJNILRFBQM-UHFFFAOYSA-N","396657",NA,"PDBC38745","703171","Present"
-"Methyl 1-benzamido-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-benzamido-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate","","CC1=C(C2(C(=O)CCCC2(N1NC(=O)C3=CC=CC=C3)O)C)C(=O)OC","OYOIYPBQLFGPDI-UHFFFAOYSA-N","364553",NA,"PDBC38746","630973","Present"
-"Methyl 1-benzoyl-2-(3-chlorobenzyl)-2-azocanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-benzoyl-2-(3-chlorobenzyl)-2-azocanecarboxylate","","COC(=O)C1(CCCCCCN1C(=O)C2=CC=CC=C2)CC3=CC(=CC=C3)Cl","WWEXICISQQYNDF-UHFFFAOYSA-N","377177",NA,"PDBC38747","658399","Present"
-"Methyl 1-benzoyl-5-benzoylsulfanyl-2,3-dihydropyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-benzoyl-5-benzoylsulfanyl-2,3-dihydropyrrole-2-carboxylate","","COC(=O)C1CC=C(N1C(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3","NREUQFNFNCFCAT-UHFFFAOYSA-N","392798",NA,"PDBC38748","693719","Present"
-"Methyl 1-benzoyl-5-thioxo-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","AQ-776/42801691","","COC(=O)C1CCC(=S)N1C(=O)C2=CC=CC=C2","FRSLUAJLIPUQKR-UHFFFAOYSA-N","392799",NA,"PDBC38749","693720","Present"
-"Methyl 1-benzyl-4-hydroxy-2,6-di(2-pyridinyl)-3-piperidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-benzyl-4-hydroxy-2,6-di(2-pyridinyl)-3-piperidinecarboxylate","","COC(=O)C1C(CC(N(C1C2=CC=CC=N2)CC3=CC=CC=C3)C4=CC=CC=N4)O","MXUQEGPQYDRJJG-UHFFFAOYSA-N","369334",NA,"PDBC38750","641088","Present"
-"Methyl 1-benzyl-4a-ethyl-7-methyl-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-benzyl-4a-ethyl-7-methyl-2,3,4,5,6,11c-hexahydropyrido[3,2-c]carbazole-6-carboxylate","","CCC12CCCN(C1C3=C(C(C2)C(=O)OC)N(C4=CC=CC=C43)C)CC5=CC=CC=C5","YFCBXMUGKAVGTO-UHFFFAOYSA-N","372691",NA,"PDBC38751","648222","Present"
-"Methyl 1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate","","COC(=O)C1CC2=C(C(N1)C3CCCCC3)NC4=CC=CC=C24","KOLPHMYBGCHLFW-UHFFFAOYSA-N","363932",NA,"PDBC38752","629420","Present"
-"Methyl 1-cyclohexyl-4,6-dioxo-10b-phenyl-3aH-[2]benzoxepino[5,4-b]pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-cyclohexyl-4,6-dioxo-10b-phenyl-3aH-[2]benzoxepino[5,4-b]pyrrole-3-carboxylate","","COC(=O)C1=CN(C2(C1C(=O)OC(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5CCCCC5","SLJMMFIQKYFVQJ-UHFFFAOYSA-N","394467",NA,"PDBC38753","697940","Present"
-"Methyl 1-ethyl-5a-phenyl-1,2,4,5,5a,6,8a,8b-octahydropyrrolo[3,2,1-hi]indole-7-carboxylate","","","","","","","","","","","","","","","","","","","","Pyrrolo[3,2,1-hi]indole-7-carboxylic acid, 1-ethyl-1,2,4...","","CCC1CN2CCC3(C2C1C=C(C3)C(=O)OC)C4=CC=CC=C4","FMIGRRCIKMUYOO-UHFFFAOYSA-N","371325",NA,"PDBC38754","645429","Present"
-"Methyl 1-formylaspidofractinine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Aspidofractine","","COC(=O)C1CC23CCCN4C2C5(C1(CC3)N(C6=CC=CC=C65)C=O)CC4","XGYZDZNXCXHGBV-UHFFFAOYSA-N","254383",NA,"PDBC38755","78733","Present"
-"Methyl 1-hydroxy-2-(4-methoxyphenyl)-5-oxocyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-hydroxy-2-(4-methoxyphenyl)-5-oxocyclohexanecarboxylate","","COC1=CC=C(C=C1)C2CCC(=O)CC2(C(=O)OC)O","CVGCXQMDFJOUQU-UHFFFAOYSA-N","372281",NA,"PDBC38756","647339","Present"
-"Methyl 1-hydroxy-2-(methoxycarbonylamino)-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-hydroxy-2-(methoxycarbonylamino)-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate","","CC1=C(C2(CCOC2=O)C(N1NC(=O)OC)(C)O)C(=O)OC","PMTAVBJJKSHZCE-UHFFFAOYSA-N","364554",NA,"PDBC38757","630974","Present"
-"Methyl 1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)OC)C)NC(=O)C3=CC(=CN3C)[N+](=O)[O-]","WMAKIRPXFQIRJN-UHFFFAOYSA-N","404109",NA,"PDBC38758","720230","Present"
-"Methyl 1-morpholin-4-yl-3-[(1S)-2-nitro-1-phenylpropyl]cyclopentane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-morpholin-4-yl-3-[(1S)-2-nitro-1-phenylpropyl]cyclopentane-1-carboxylate","","CC(C(C1CCC(C1)(C(=O)OC)N2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]","GVASIQUISVGKAV-DQYDVZSKSA-N","353993",NA,"PDBC38759","603661","Present"
-"Methyl 1-nonyl-4-oxo-3-piperidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-nonyl-4-oxopiperidine-3-carboxylate","","CCCCCCCCCN1CCC(=O)C(C1)C(=O)OC","MMXDFYIJUSDGEK-UHFFFAOYSA-N","395351",NA,"PDBC38760","699833","Present"
-"Methyl 1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","COC(=O)C1CC2=C(C1=O)C=C3CCCC3=C2","CVGHEFOPWOMUMY-UHFFFAOYSA-N","382673",NA,"PDBC38761","670321","Present"
-"Methyl 1-oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 1-oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalene-2-carboxylate","","COC(=O)C1CC2=C(C1=O)C3=C(CCCC3)C=C2","QYIDDALBUVDWRH-UHFFFAOYSA-N","382675",NA,"PDBC38762","670323","Present"
-"Methyl 1-triphenylenecarboxylate","","","","","","","","","","","","","","","","","","","","MESYQSUJXFZPJM-UHFFFAOYSA-N","","COC(=O)C1=CC=CC2=C1C3=CC=CC=C3C4=CC=CC=C24","MESYQSUJXFZPJM-UHFFFAOYSA-N","362115",NA,"PDBC38763","625644","Present"
-"Methyl 10-acetyl-3-(4-methylphenyl)sulfonyl-9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-11-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 10-acetyl-3-(4-methylphenyl)sulfonyl-9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-11-carboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C3C=C(N(C(C4=C3C2=CC=C4)C=C(C)C)C(=O)C)C(=O)OC","FUHVOEYHNHOQIJ-UHFFFAOYSA-N","360114",NA,"PDBC38764","621968","Present"
-"Methyl 10-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),4,6,8,14,16,18,20,22-decaene-22-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 10-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),4,6,8,14,16,18,20,22-decaene-22-carboxylate","","COC(=O)C1=NC2=C3C(=C1)C4=CC=CC=C4N3CC5=C2NC6=CC=CC=C6C5=O","SHRBGQSJQADLQB-UHFFFAOYSA-N","45028277",NA,"PDBC38765","742037","Present"
-"Methyl 10-oxo-9-oxa-2,3-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,11,13-tetraene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 10-oxo-9-oxa-2,3-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,11,13-tetraene-4-carboxylate","","COC(=O)C1=NN2C(C1)CCOC(=O)C3=CC=CC=C32","YCHFSXUKMSNQHT-UHFFFAOYSA-N","385044",NA,"PDBC38766","675965","Present"
-"Methyl 10H-thieno[2,3-a]carbazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 10H-thieno[2,3-a]carbazole-4-carboxylate","","COC(=O)C1=C2C=CSC2=C3C(=C1)C4=CC=CC=C4N3","VOIGBELPYFZGEV-UHFFFAOYSA-N","44139294",NA,"PDBC38767","740204","Present"
-"Methyl 11,12-dibromo-3,9-epoxycholan-24-oate","","","","","","","","","","","","","","","","","","","","Methyl 11,12-dibromo-3,9-epoxycholan-24-oate","","CC(CCC(=O)OC)C1CCC2C1(C(C(C34C2CCC5C3(CCC(C5)O4)C)Br)Br)C","XRRHDGKBIMJRKD-UHFFFAOYSA-N","229453",NA,"PDBC38768","23159","Present"
-"Methyl 11-(((benzyloxy)carbonyl)amino)-8,12-dioxo-1,7-diazacyclododecane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 11-(((benzyloxy)carbonyl)amino)-8,12-dioxo-1,7-diazacyclododecane-2-carboxylate","","COC(=O)C1CCCCNC(=O)CCC(C(=O)N1)NC(=O)OCC2=CC=CC=C2","WVNQHEBAZFAQQH-UHFFFAOYSA-N","382355",NA,"PDBC38769","669825","Present"
-"Methyl 11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-4-(6-methoxycarbonyl-5,7,8,9,10,11-hexahydrocycloocta[b]indol-6-yl)-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-4-(6-methoxycarbonyl-5,7,8,9,10,11-hexahydrocycloocta[b]indol-6-yl)-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-1","","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CCCCCC7=C6NC8=CC=CC=C78)C(=O)OC)OC)C","FFDLSPCHTAMCHO-UHFFFAOYSA-N","325041",NA,"PDBC38770","292440","Present"
-"Methyl 11H-pyrido[2,3-a]carbazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 11H-pyrido[2,3-a]carbazole-5-carboxylate","","COC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=CC=CC=C4N3","DMLHLXHSGXDLEI-UHFFFAOYSA-N","13776879",NA,"PDBC38771","740203","Present"
-"Methyl 12-acetamido-13,19-dioxo-3,14,20,30-tetrazahexacyclo[21.7.0.02,10.04,9.014,18.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-21-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 12-acetamido-13,19-dioxo-3,14,20,30-tetrazahexacyclo[21.7.0.02,10.04,9.014,18.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-21-carboxylate","","CC(=O)NC1CC2=C(C3=C(CC(NC(=O)C4CCCN4C1=O)C(=O)OC)C5=CC=CC=C5N3)NC6=CC=CC=C26","LSKBQKYNXKBBGA-UHFFFAOYSA-N","392210",NA,"PDBC38772","692343","Present"
-"Methyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-11-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-11-carboxylate","","COC(=O)C1=CC2C(=O)C3=CC=CC=C3C1(N2C4CCCCC4)C5=CC=CC=C5","ZKADLOXAHFISDD-UHFFFAOYSA-N","394468",NA,"PDBC38773","697941","Present"
-"Methyl 12-methoxy-9-oxo-7-(2-oxo-2-propan-2-yloxyethyl)-11H-indolizino[1,2-b]quinoline-8-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 12-methoxy-9-oxo-7-(2-oxo-2-propan-2-yloxyethyl)-11H-indolizino[1,2-b]quinoline-8-carboxylate","","CC(C)OC(=O)CC1=C(C(=O)N2CC3=C(C4=CC=CC=C4N=C3C2=C1)OC)C(=O)OC","RZHXKAXOFKJLPS-UHFFFAOYSA-N","373979",NA,"PDBC38774","651011","Present"
-"Methyl 13-(phenylsulfonyl)-1,4,7,8,13,13b-hexahydro[1,2]oxazepino[2',3':1,2]pyrido[3,4-b]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 18-(benzenesulfonyl)-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),4,12,14,16-pentaene-3-carboxylate","","COC(=O)C1C=CCON2C1C3=C(CC2)C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5","KDKJPSCEPZYYDT-UHFFFAOYSA-N","373183",NA,"PDBC38775","649147","Present"
-"Methyl 13-hydroxy-15-oxo-kaurenoate","","","","","","","","","","","","","","","","","","","","Methyl 13-hydroxy-15-oxo-kaurenoate","","CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4=O)O)(C)C(=O)OC","CAZYNLSCRWNLPJ-IXHWBTLXSA-N","359473",NA,"PDBC38776","620358","Present"
-"Methyl 13-methyl-1,4,7,8,13,13b-hexahydro[1,2]oxazepino[2',3':1,2]pyrido[3,4-b]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 18-methyl-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),4,12,14,16-pentaene-3-carboxylate","","CN1C2=CC=CC=C2C3=C1C4C(C=CCON4CC3)C(=O)OC","WEMIBVKMTXTFDF-UHFFFAOYSA-N","373182",NA,"PDBC38777","649146","Present"
-"Methyl 14-oxopimara-8,15-dien-18-oate","","","","","","","","","","","","","","","","","","","","Methyl 14-oxopimara-8,15-dien-18-oate","","CC1(CCC2=C(C1=O)CCC3C2(CCCC3(C)C(=O)OC)C)C=C","HLGUIVUGCQPCHH-UHFFFAOYSA-N","371735",NA,"PDBC38778","646179","Present"
-"Methyl 16-(4-chlorophenyl)-4-oxo-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,7,11(15),13-pentaene-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 16-(4-chlorophenyl)-4-oxo-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,7,11(15),13-pentaene-5-carboxylate","","COC(=O)N1C(=O)N=C2N1C=NC3=C2C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl","ILUKJBNDWASINW-UHFFFAOYSA-N","391838",NA,"PDBC38779","691426","Present"
-"Methyl 16-ethyl-3-[(16-ethyl-1-methoxycarbonyl-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,4,6,8,15-pentaen-3-yl)methoxymethyl]-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,4,6,8,15-pentaene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 16-ethyl-3-[(16-ethyl-1-methoxycarbonyl-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,4,6,8,15-pentaen-3-yl)methoxymethyl]-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,","","CCC1=CC2CC3(C1N(C2)CN4C3=C(C5=CC=CC=C54)COCC6=C7C8(CC9CN(C8C(=C9)CC)CN7C1=CC=CC=C16)C(=O)OC)C(=O)OC","ZLPAJNBKIXJJCJ-UHFFFAOYSA-N","374015",NA,"PDBC38780","651088","Present"
-"Methyl 17-hydroxy-20xi-yohimban-16-carboxylate","","","","","","","","","","","","","","","","","","","","rauhimbin","","COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O","BLGXFZZNTVWLAY-UHFFFAOYSA-N","2866",NA,"PDBC38781","407306","Present"
-"Methyl 18-acetamido-14,17-dioxo-3,13,16,27-tetrazapentacyclo[18.7.0.02,10.04,9.021,26]heptacosa-1(20),2(10),4,6,8,21,23,25-octaene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 18-acetamido-14,17-dioxo-3,13,16,27-tetrazapentacyclo[18.7.0.02,10.04,9.021,26]heptacosa-1(20),2(10),4,6,8,21,23,25-octaene-12-carboxylate","","CC(=O)NC1CC2=C(C3=C(CC(NC(=O)CNC1=O)C(=O)OC)C4=CC=CC=C4N3)NC5=CC=CC=C25","SPGZSKAURVQDBJ-UHFFFAOYSA-N","392211",NA,"PDBC38782","692344","Present"
-"Methyl 2',5'-dihydroxy-3-oxospiro[1H-indene-2,3'-2H-1-benzofuran]-4'-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2',5'-dihydroxy-3-oxospiro[1H-indene-2,3'-2H-1-benzofuran]-4'-carboxylate","","COC(=O)C1=C(C=CC2=C1C3(CC4=CC=CC=C4C3=O)C(O2)O)O","NYBWDQJIAPXAOO-UHFFFAOYSA-N","404178",NA,"PDBC38783","720329","Present"
-"Methyl 2'-(N-methylanilino)spiro[10H-acridine-9,4'-5H-1,3-thiazole]-5'-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2'-(N-methylanilino)spiro[10H-acridine-9,4'-5H-1,3-thiazole]-5'-carboxylate","","CN(C1=CC=CC=C1)C2=NC3(C(S2)C(=O)OC)C4=CC=CC=C4NC5=CC=CC=C35","YQHUXXLAOYBHBA-UHFFFAOYSA-N","399781",NA,"PDBC38784","710876","Present"
-"Methyl 2'-methylsulfanylspiro[10H-acridine-9,4'-5H-1,3-thiazole]-5'-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2'-methylsulfanylspiro[10H-acridine-9,4'-5H-1,3-thiazole]-5'-carboxylate","","COC(=O)C1C2(C3=CC=CC=C3NC4=CC=CC=C42)N=C(S1)SC","HWVFAJWANTUVNW-UHFFFAOYSA-N","399780",NA,"PDBC38785","710875","Present"
-"Methyl 2,1,3-benzoselenadiazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,1,3-benzoselenadiazole-5-carboxylate","","COC(=O)C1=CC2=N[Se]N=C2C=C1","MSHPXWAWBAGBFD-UHFFFAOYSA-N","362895",NA,"PDBC38786","627369","Present"
-"Methyl 2,2,2-trifluoro-1-(2-oxido-1,3,2-dioxaphosphinan-2-yl)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Methyl 2,2,2-trifluoro-1-(2-oxido-1,3,2-dioxaphosphinan-2-yl)-1-(trifluoromethyl)ethylcarbamate","","COC(=O)NC(C(F)(F)F)(C(F)(F)F)P1(=O)OCCCO1","QZENBZDNDPWRAA-UHFFFAOYSA-N","383547",NA,"PDBC38787","671965","Present"
-"Methyl 2,2,2-trifluoro-1-(2-pyridinylamino)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Methyl 2,2,2-trifluoro-1-(2-pyridinylamino)-1-(trifluoromethyl)ethylcarbamate","","COC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC=N1","IJTYRKSOIGSKIL-UHFFFAOYSA-N","383575",NA,"PDBC38788","671993","Present"
-"Methyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Methyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate","","CC1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OC","ASBZDWHFZWAFRZ-UHFFFAOYSA-N","383582",NA,"PDBC38789","672000","Present"
-"Methyl 2,2,4,4-tetraisopropyl-11-oxo-6,6a,13a,13b-tetrahydro-7aH,11H-[1,3,5,2,4]trioxadisilocino[6'',7'':4',5']furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidine-7a-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 15-oxo-4,4,6,6-tetra(propan-2-yl)-3,5,7,10,18-pentaoxa-12,16-diaza-4,6-disilatetracyclo[9.7.0.02,9.012,17]octadeca-13,16-diene-11-carboxylate","","CC(C)[Si]1(OCC2C(C3C(O2)(N4C=CC(=O)N=C4O3)C(=O)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C","ATDRPSWPFAYZCR-UHFFFAOYSA-N","387257",NA,"PDBC38790","680838","Present"
-"Methyl 2,2-dimethyl-5-((4-methylphenyl)sulfonyl)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylate","","CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2C(=O)OC)OC(O3)(C)C","OYGPUVRRQPKRPV-UHFFFAOYSA-N","391523",NA,"PDBC38791","690771","Present"
-"Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside","","","","","","","","","","","","","","","","","","","","Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside","","COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O","KNGUIYKUPNUFQT-UHFFFAOYSA-N","383389",NA,"PDBC38792","671560","Present"
-"Methyl 2,3,8-trimethyl-5,6-dioxo-9H-pyrrolo[2,3-f]quinoxaline-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,3,8-trimethyl-5,6-dioxo-6,9-dihydro-5h-pyrrolo[2,3-f]quinoxaline-7-carboxylate","","CC1=C(C2=C(N1)C3=NC(=C(N=C3C(=O)C2=O)C)C)C(=O)OC","SAURFKLIWWQIJG-UHFFFAOYSA-N","402467",NA,"PDBC38793","716492","Present"
-"Methyl 2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","2,3-Bis[(3,4-diacetoxycinnamoyl)amino]propanoic acid methyl ester","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)OC)NC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","USVRHAGCOAUNPO-QHKWOANTSA-N","5470539",NA,"PDBC38794","702982","Present"
-"Methyl 2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]oxy]propanoate","","","","","","","","","","","","","","","","","","","","2,3-Bis[(3,4-diacetoxycinnamoyl)oxy]propanoic acid methyl ester","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OCC(C(=O)OC)OC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","FIXAUSHLUBEOCJ-QHKWOANTSA-N","5470541",NA,"PDBC38795","702984","Present"
-"Methyl 2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoate","","COC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)OC)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)OC","NFZFVFAKLQJGNO-QHKWOANTSA-N","5470540",NA,"PDBC38796","702983","Present"
-"Methyl 2,3-di-O-benzyl-6-deoxy-6-(3-iodobenzoylamino)-4-O-(1-pentenyl)-alfa-D-glicopyranoside","","","","","","","","","","","","","","","","","","","","methyl 2,3-di-O-benzyl-6-deoxy-6-(3-iodobenzoylamino)-4-...","","COC1C(C(C(C(O1)CNC(=O)C2=CC(=CC=C2)I)OCCCC=C)OCC3=CC=CC=C3)OCC4=CC=CC=C4","MODNYLJPLYGELP-UREUCWRBSA-N","54612763",NA,"PDBC38797","748653","Present"
-"Methyl 2,3-dideoxy-4-O-(methylsulfonyl)hexopyranoside","","","","","","","","","","","","","","","","","","","","[2-(Hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl] methanesulfonate","","COC1CCC(C(O1)CO)OS(=O)(=O)C","GSUUIEBKGVTMLJ-UHFFFAOYSA-N","360939",NA,"PDBC38798","623652","Present"
-"Methyl 2,3-diphenyl-3,6-dihydro-2H-1,2-oxazine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,3-diphenyl-3,6-dihydro-2H-1,2-oxazine-4-carboxylate","","COC(=O)C1=CCON(C1C2=CC=CC=C2)C3=CC=CC=C3","LHKIGPCDMXOOON-UHFFFAOYSA-N","370851",NA,"PDBC38799","644558","Present"
-"Methyl 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","RARECHEM AL BF 0788","","COC(=O)C1=CNC(=O)NC1=O","LNFWHIMRFZBBFO-UHFFFAOYSA-N","353768",NA,"PDBC38800","602880","Present"
-"Methyl 2,4-di(1H-indol-3-yl)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2,4-di(1H-indol-3-yl)-4-oxobutanoate","","COC(=O)C(CC(=O)C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43","KTTWMXBEEVXUSC-UHFFFAOYSA-N","362923",NA,"PDBC38801","627399","Present"
-"Methyl 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylate","","COC(=O)C1CCC2(CC1)C(=O)NC(=O)N2","NEFVHCKIEYATMG-UHFFFAOYSA-N","359073",NA,"PDBC38802","619575","Present"
-"Methyl 2,5,5-tricyano-3,6-bis(3-thienyl)piperazine-2-carboximidate","","","","","","","","","","","","","","","","","","","","Methyl 2,5,5-tricyano-3,6-bis(3-thienyl)piperazine-2-carboximidate","","COC(=N)C1(C(NC(C(N1)C2=CSC=C2)(C#N)C#N)C3=CSC=C3)C#N","VLKISKAQWMZNTE-UHFFFAOYSA-N","385625",NA,"PDBC38803","676965","Present"
-"Methyl 2,5,6-trichloropyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","4747AC","","COC(=O)C1=C(C(=NC(=N1)Cl)Cl)Cl","TVFOOGACHSHHSX-UHFFFAOYSA-N","248061",NA,"PDBC38804","64342","Present"
-"Methyl 2,5-bis(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,5-bis(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","COC1=CC(=CC(=C1OC)OC)C2CC(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC","ZDEGVSSGWFFBAQ-UHFFFAOYSA-N","359009",NA,"PDBC38805","619221","Present"
-"Methyl 2,5-bis(3,4-dimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,5-bis(3,4-dimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","COC1=C(C=C(C=C1)C2CC(=C(O2)C3=CC(=C(C=C3)OC)OC)C(=O)OC)OC","CVBAOZNTGIDNRI-UHFFFAOYSA-N","360154",NA,"PDBC38806","622087","Present"
-"Methyl 2,5-bis(3,4-dimethoxyphenyl)furan-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,5-bis(3,4-dimethoxyphenyl)furan-3-carboxylate","","COC1=C(C=C(C=C1)C2=CC(=C(O2)C3=CC(=C(C=C3)OC)OC)C(=O)OC)OC","JEVVESHNMLBXCN-UHFFFAOYSA-N","360153",NA,"PDBC38807","622086","Present"
-"Methyl 2,5-di(1,3-benzodioxol-5-yl)-4,5-dihydro-3-furancarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,5-di(1,3-benzodioxol-5-yl)-4,5-dihydro-3-furancarboxylate","","COC(=O)C1=C(OC(C1)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5","ZKCMETIEMBJGTE-UHFFFAOYSA-N","360157",NA,"PDBC38808","622090","Present"
-"Methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide","","","","","","","","","","","","","","","","","","","","3-Methoxycarbonyl-2,5-dihydrothiophene-1,1-dioxide","","COC(=O)C1=CCS(=O)(=O)C1","YHHZABJZHHCDNW-UHFFFAOYSA-N","368979",NA,"PDBC38809","640439","Present"
-"Methyl 2,5-dihydroxybenzoate","","","","","","","","","","","","","","","","","","","","Methyl gentisate","","COC(=O)C1=C(C=CC(=C1)O)O","XGDPKUKRQHHZTH-UHFFFAOYSA-N","75077",NA,"PDBC38810","618316","Present"
-"Methyl 2,5-dihydroxycinnamate","","","","","","","","","","","","","","","","","","","Erbstatin analog","","","COC(=O)C=CC1=C(C=CC(=C1)O)O","BQCNSTFWSKOWMA-GORDUTHDSA-N","5353609",NA,"PDBC38811","","Absent"
-"Methyl 2,6,11-triacetyloxy-5-[(3,5-dimethoxyphenyl)methyl]benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,6,11-tris(acetyloxy)-5-(3,5-dimethoxybenzyl)-5h-benzo[b]carbazole-1-carboxylate","","CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C(=C23)OC(=O)C)OC(=O)C)CC5=CC(=CC(=C5)OC)OC)C(=O)OC","YENBKIUGSOWGON-UHFFFAOYSA-N","404313",NA,"PDBC38812","720495","Present"
-"Methyl 2,6,11-triacetyloxy-5-benzylbenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,6,11-tris(acetyloxy)-5-benzyl-5h-benzo[b]carbazole-1-carboxylate","","CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C(=C23)OC(=O)C)OC(=O)C)CC5=CC=CC=C5)C(=O)OC","CHGOODVQWODTQL-UHFFFAOYSA-N","404315",NA,"PDBC38813","720497","Present"
-"Methyl 2,6,11-triacetyloxy-5-methylbenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,6,11-tris(acetyloxy)-5-methyl-5h-benzo[b]carbazole-1-carboxylate","","CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C(=C23)OC(=O)C)OC(=O)C)C)C(=O)OC","DXKROOJCHRZXCL-UHFFFAOYSA-N","404310",NA,"PDBC38814","720492","Present"
-"Methyl 2,6-bis(cyanomethyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2,6-bis(cyanomethyl)benzoate","","COC(=O)C1=C(C=CC=C1CC#N)CC#N","YGKFFXULAHQCKR-UHFFFAOYSA-N","358338",NA,"PDBC38815","618303","Present"
-"Methyl 2,6-diacetyloxy-5-methylbenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,6-bis(acetyloxy)-5-methyl-5h-benzo[b]carbazole-1-carboxylate","","CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C=C23)OC(=O)C)C)C(=O)OC","HXRGTDJRGNMQBN-UHFFFAOYSA-N","404309",NA,"PDBC38816","720491","Present"
-"Methyl 2,6-dihydroxy-5H-benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,6-dihydroxy-5H-benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=CC4=CC=CC=C4C(=C3N2)O)O","BDHPFHOIRJLORJ-UHFFFAOYSA-N","404487",NA,"PDBC38817","720723","Present"
-"Methyl 2,6-dimethyl-5-nitro-4-(3-nitrosophenyl)-1,4-dihydropyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,6-dimethyl-5-nitro-4-(3-nitrosophenyl)-1,4-dihydropyridine-3-carboxylate","","CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CC=C2)N=O)C(=O)OC","WAROSOGFGCWFCZ-UHFFFAOYSA-N","382123",NA,"PDBC38818","669516","Present"
-"Methyl 2,7-dihydroeburnamenine-14-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,7-dihydroeburnamenine-14-carboxylate","","CCC12CCCN3C1C4C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC","YUVIDOWWGRDLOX-UHFFFAOYSA-N","363052",NA,"PDBC38819","627601","Present"
-"Methyl 2-((((((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)acetyl)amino)-3-methylbutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-3-methylbutanoate","","CC(C)C(C(=O)OC)NC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","PWQMINNTSNNXRJ-UHFFFAOYSA-N","395268",NA,"PDBC38820","699746","Present"
-"Methyl 2-((((3-fluoro-1-adamantyl)amino)carbonyl)amino)-4-methylpentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((((3-fluoro-1-adamantyl)amino)carbonyl)amino)-4-methylpentanoate","","CC(C)CC(C(=O)OC)NC(=O)NC12CC3CC(C1)CC(C3)(C2)F","LMQXSZAJSYJZAY-UHFFFAOYSA-N","371835",NA,"PDBC38821","646351","Present"
-"Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-palmitoylhexopyranoside","","","","","","","","","","","","","","","","","","","","[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hexadecanoate","","CCCCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OC)NC(=O)N(CCCl)N=O","PONIAVAMAMBKHY-UHFFFAOYSA-N","370172",NA,"PDBC38822","642916","Present"
-"Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-tetradecanoylhexopyranoside","","","","","","","","","","","","","","","","","","","","[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] tetradecanoate","","CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OC)NC(=O)N(CCCl)N=O","MZTNCZVZALGRIZ-UHFFFAOYSA-N","370169",NA,"PDBC38823","642913","Present"
-"Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-dodecanoylhexopyranoside","","","","","","","","","","","","","","","","","","","","[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl dodecanoate","","CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O","GBALTAYLJYHGJL-UHFFFAOYSA-N","370167",NA,"PDBC38824","642911","Present"
-"Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-octanoylhexopyranoside","","","","","","","","","","","","","","","","","","","","[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl octanoate","","CCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O","DHNBQAVDYAGDBE-UHFFFAOYSA-N","370236",NA,"PDBC38825","643006","Present"
-"Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-palmitoylhexopyranoside","","","","","","","","","","","","","","","","","","","","[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl hexadecanoate","","CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O","BLWQPTZKSURJND-UHFFFAOYSA-N","368307",NA,"PDBC38826","638855","Present"
-"Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-stearoylhexopyranoside","","","","","","","","","","","","","","","","","","","","[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl octadecanoate","","CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O","IEYIWXBJAVNHQT-UHFFFAOYSA-N","370170",NA,"PDBC38827","642914","Present"
-"Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-tetradecanoylhexopyranoside","","","","","","","","","","","","","","","","","","","","[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl tetradecanoate","","CCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O","AGMNHLXDWBTQPZ-UHFFFAOYSA-N","370168",NA,"PDBC38828","642912","Present"
-"Methyl 2-(((2-methoxy-1-(4-methoxy-3-(4-(3-methoxy-2-((4-(methoxycarbonyl)benzoyl)amino)-3-oxopropyl)phenoxy)benzyl)-2-oxoethyl)amino)carbonyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[1-methoxy-3-[4-methoxy-3-[4-[3-methoxy-2-[(4-methoxycarbonylbenzoyl)amino]-3-oxopropyl]phenoxy]phenyl]-1-oxopropan-2-yl]carbamoyl]benzoate","","COC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)C2=CC=CC=C2C(=O)OC)OC3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=CC=C(C=C4)C(=O)OC","FPXJTMAOSAOVLP-UHFFFAOYSA-N","394211",NA,"PDBC38829","697493","Present"
-"Methyl 2-(((4-benzoylphenyl)acetyl)amino)-4-(methylthio)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(((4-benzoylphenyl)acetyl)amino)-4-(methylthio)butanoate","","COC(=O)C(CCSC)NC(=O)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2","YJYKIZCLINNOKP-UHFFFAOYSA-N","385936",NA,"PDBC38830","677399","Present"
-"Methyl 2-(((dimethylamino)methylene)amino)-2-methylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(((dimethylamino)methylene)amino)-2-methylpropanoate","","CC(C)(C(=O)OC)N=CN(C)C","HBYLQESTKHSIIL-UHFFFAOYSA-N","370812",NA,"PDBC38831","644333","Present"
-"Methyl 2-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)benzoate","","COC(=O)C1=CC=CC=C1CC2CC3=C(C2=O)C=C4CCCC4=C3","QPIUDTVBNKEUGK-UHFFFAOYSA-N","382689",NA,"PDBC38832","670337","Present"
-"Methyl 2-((1-oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-2-yl)methyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((1-oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-2-yl)methyl)benzoate","","COC(=O)C1=CC=CC=C1CC2CC3=C(C2=O)C4=C(CCCC4)C=C3","FGRCYQFGQCSGOP-UHFFFAOYSA-N","382690",NA,"PDBC38833","670338","Present"
-"Methyl 2-((2,5-dihydroxybenzyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((2,5-dihydroxybenzyl)amino)benzoate","","COC(=O)C1=CC=CC=C1NCC2=C(C=CC(=C2)O)O","HOYMVLYORHKZIY-UHFFFAOYSA-N","375253",NA,"PDBC38834","654704","Present"
-"Methyl 2-((2,6-dimethoxyphenyl)ethynyl)-3-methoxybenzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((2,6-dimethoxyphenyl)ethynyl)-3-methoxybenzoate","","COC1=C(C(=CC=C1)OC)C#CC2=C(C=CC=C2OC)C(=O)OC","ZXCPIRNNOGPRIA-UHFFFAOYSA-N","385627",NA,"PDBC38835","676967","Present"
-"Methyl 2-((2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoyl)amino)-3-(1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate","","COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5","XXJKMZGNUJVEQK-UHFFFAOYSA-N","363200",NA,"PDBC38836","627875","Present"
-"Methyl 2-((2-((tert-butoxycarbonyl)amino)-3-mercaptopropanoyl)amino)-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((2-((tert-butoxycarbonyl)amino)-3-mercaptopropanoyl)amino)-3-phenylpropanoate","","CC(C)(C)OC(=O)NC(CS)C(=O)NC(CC1=CC=CC=C1)C(=O)OC","TWBGMBZSJQCBLC-UHFFFAOYSA-N","381724",NA,"PDBC38837","668583","Present"
-"Methyl 2-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-4-methoxybutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-4-methoxybutanoate","","CC(C)CC(C(=O)NC(CCOC)C(=O)OC)NC(=O)OC(C)(C)C","FYWOPOHVWNMMIR-UHFFFAOYSA-N","382706",NA,"PDBC38838","670354","Present"
-"Methyl 2-((2-(1-hydroxyvinyl)phenyl)ethynyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((2-(1-hydroxyvinyl)phenyl)ethynyl)benzoate","","COC(=O)C1=CC=CC=C1C#CC2=CC=CC=C2C(=C)O","KWPNQFFKGUFPFW-UHFFFAOYSA-N","379183",NA,"PDBC38839","663591","Present"
-"Methyl 2-((3-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)propanoyl)amino)-3-(4-hydroxyphenyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[3-benzyloxy-2-(benzyloxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate","","COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(COCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","ZGJOKKROJVVMTJ-UHFFFAOYSA-N","381824",NA,"PDBC38840","668896","Present"
-"Methyl 2-((3-(hydroxy(oxido)amino)-4,5-bis(3-(hydroxy(oxido)amino)phenyl)-2-furyl)methylene)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl N-[(E)-[3-nitro-4,5-bis(3-nitrophenyl)furan-2-yl]methylideneamino]carbamate","","COC(=O)NN=CC1=C(C(=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]","XAWZFAJMUKBZDF-KEBDBYFISA-N","9555886",NA,"PDBC38841","647249","Present"
-"Methyl 2-((3-amino-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-benzyl-4H-furo[3,2-b]pyrrole-5-carboxylate","","","","","","","","","","","","","","","","","","","","methyl 2-((3-amino-4-oxo-2-thioxothiazolidin-5-ylidene)m...","","COC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C=C(O2)C=C4C(=O)N(C(=S)S4)N","LHMNKWAUSYHTFN-LZYBPNLTSA-N","45029165",NA,"PDBC38842","745534","Present"
-"Methyl 2-((4,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((4,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate","","CC1=C2CC(C(=O)C2=C(C=C1)C)CC3=CC=CC=C3C(=O)OC","UFCRTEPYKAXNSP-UHFFFAOYSA-N","386195",NA,"PDBC38843","677817","Present"
-"Methyl 2-((4-(((benzyloxy)carbonyl)amino)butanoyl)amino)-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((4-(((benzyloxy)carbonyl)amino)butanoyl)amino)-3-phenylpropanoate","","COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCNC(=O)OCC2=CC=CC=C2","MWRHQEMRZSFNJF-UHFFFAOYSA-N","381817",NA,"PDBC38844","668890","Present"
-"Methyl 2-((4-((2-cyanoethyl)(phenylsulfonyl)amino)benzylidene)amino)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((4-((2-cyanoethyl)(phenylsulfonyl)amino)benzylidene)amino)benzoate","","COC(=O)C1=CC=CC=C1N=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","DDZICDSETJMYBB-UHFFFAOYSA-N","372592",NA,"PDBC38845","647953","Present"
-"Methyl 2-((4-((aminocarbonyl)hydrazono)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-5-methoxy-2,5-dioxopentanoyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[(4Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-4-(carbamoylhydrazinylidene)-5-methoxy-2,5-dioxopentanoyl]amino]benzoate","","COC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=NNC(=O)N)C(=O)OC","PQRFCHIHLJHGME-NHYZDEDTSA-N","9571346",NA,"PDBC38846","646802","Present"
-"Methyl 2-((4-(1,5-bis(3-chlorophenyl)-4,6-dioxo-1,3,5-triazinan-2-yl)benzyl)oxy)-2-methylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((4-(1,5-bis(3-chlorophenyl)-4,6-dioxo-1,3,5-triazinan-2-yl)benzyl)oxy)-2-methylpropanoate","","CC(C)(C(=O)OC)OCC1=CC=C(C=C1)C2NC(=O)N(C(=O)N2C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl","IWLQYAMRNMLOOL-UHFFFAOYSA-N","392657",NA,"PDBC38847","693236","Present"
-"Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-(4-chlorophenyl)-3-cyanopropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-(4-chlorophenyl)-3-cyanopropanoate","","CC1=NN=C(N1N)NN=C(C(C#N)C2=CC=C(C=C2)Cl)C(=O)OC","PSTOWCVBIURTQA-UNOMPAQXSA-N","9570040",NA,"PDBC38848","635336","Present"
-"Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-cyano-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-cyano-3-phenylpropanoate","","CC1=NN=C(N1N)NN=C(C(C#N)C2=CC=CC=C2)C(=O)OC","HJKFDIZUKKRJIA-PDGQHHTCSA-N","9570044",NA,"PDBC38849","635397","Present"
-"Methyl 2-((4-methoxyphenyl)(phenyl)methylene)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-((4-methoxyphenyl)(phenyl)methylene)hydrazinecarboxylate","","COC1=CC=C(C=C1)C(=NNC(=O)OC)C2=CC=CC=C2","HNENEAVPPAGBLP-BMRADRMJSA-N","9571632",NA,"PDBC38850","692590","Present"
-"Methyl 2-((4-methylphenyl)sulfonyl)-3-((6-methyl-2-pyridinyl)amino)acrylate","","","","","","","","","","","","","","","","","","","","Methyl 2-((4-methylphenyl)sulfonyl)-3-((6-methyl-2-pyridinyl)amino)acrylate","","CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=CC(=N2)C)C(=O)OC","PFZSBIRHASPRTH-RVDMUPIBSA-N","3005098",NA,"PDBC38851","671465","Present"
-"Methyl 2-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)-4-pentenoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)-4-pentenoate","","CC(C)(C)OC(=O)CC(C(=O)NC(CC=C)C(=O)OC)NC(=O)OC(C)(C)C","KMTAWRUJHTUACP-UHFFFAOYSA-N","382221",NA,"PDBC38852","669678","Present"
-"Methyl 2-((5-((amino(imino)methyl)amino)-2-(((benzyloxy)carbonyl)amino)pentanoyl)amino)-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-3-phenyl-propanoate","","COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2","DPOMBQSFXWJVJW-UHFFFAOYSA-N","381819",NA,"PDBC38853","668892","Present"
-"Methyl 2-((5-((amino(imino)methyl)amino)-2-(((benzyloxy)carbonyl)amino)pentanoyl)amino)-4-methylpentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-4-methyl-pentanoate","","CC(C)CC(C(=O)OC)NC(=O)C(CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1","UIESYHDNHVGZRB-UHFFFAOYSA-N","381820",NA,"PDBC38854","668893","Present"
-"Methyl 2-((6-chloro-3-hydroxy-2-quinoxalinyl)methyl)-4-(2,5-dimethylanilino)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((6-chloro-3-hydroxy-2-quinoxalinyl)methyl)-4-(2,5-dimethylanilino)-3,4-dioxobutanoate","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(CC2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","BELSWYSWNHPMHA-UHFFFAOYSA-N","369811",NA,"PDBC38855","642005","Present"
-"Methyl 2-((6-chloro-3-hydroxy-2-quinoxalinyl)methyl)-4-(3-chloro-2-methylanilino)-3-(hydroxyimino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl (3Z)-4-(3-chloro-2-methylanilino)-2-[(6-chloro-3-oxo-4H-quinoxalin-2-yl)methyl]-3-hydroxyimino-4-oxobutanoate","","CC1=C(C=CC=C1Cl)NC(=O)C(=NO)C(CC2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","NBNCDUOTPUPHKN-IMRQLAEWSA-N","6413410",NA,"PDBC38856","642004","Present"
-"Methyl 2-((7-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((7-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate","","CC1=C2C(=CC=C1)CC(C2=O)CC3=CC=CC=C3C(=O)OC","HAGSRESGUUTLDP-UHFFFAOYSA-N","385696",NA,"PDBC38857","677042","Present"
-"Methyl 2-((S,3Z)-6-((E)-1-hydroxy-3-phenylallylidene)-5-oxocyclohex-3-enyl)acetate","","","","","","","","","","","","","","","","","","","","methyl 2-((S,3Z)-6-((E)-1-hydroxy-3-phenylallylidene)-5-...","","COC(=O)CC1CC=CC(=O)C1=C(C=CC2=CC=CC=C2)O","HAXYQNFQUDHACW-FIQZBLEBSA-N","60147813",NA,"PDBC38858","752464","Present"
-"Methyl 2-((aminocarbonyl)hydrazono)-3-cyano-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((aminocarbonyl)hydrazono)-3-cyano-3-phenylpropanoate","","COC(=O)C(=NNC(=O)N)C(C#N)C1=CC=CC=C1","WKOMURDLCQWVJI-GDNBJRDFSA-N","6375702",NA,"PDBC38859","635399","Present"
-"Methyl 2-((aminocarbothioyl)hydrazono)-3-cyano-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((aminocarbothioyl)hydrazono)-3-cyano-3-phenylpropanoate","","COC(=O)C(=NNC(=S)N)C(C#N)C1=CC=CC=C1","KUZWBYBFQIVBHR-GDNBJRDFSA-N","6375487",NA,"PDBC38860","635391","Present"
-"Methyl 2-((benzyloxy)methyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-((benzyloxy)methyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylate","","COC(=O)C1(CCCC2C1O2)COCC3=CC=CC=C3","DMQXLAPMSKEJED-UHFFFAOYSA-N","358281",NA,"PDBC38861","618223","Present"
-"Methyl 2-((diphenylmethylene)amino)-3-(1H-imidazol-4-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-((diphenylmethylene)amino)-3-(1H-imidazol-4-yl)propanoate","","COC(=O)C(CC1=CN=CN1)N=C(C2=CC=CC=C2)C3=CC=CC=C3","CUWILEAFPRNUMW-UHFFFAOYSA-N","382181",NA,"PDBC38862","669640","Present"
-"Methyl 2-(1'-oxospiro[3,4-dihydropyrazole-5,2'-3H-cyclopenta[a]naphthalene]-4-yl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1'-oxospiro[3,4-dihydropyrazole-5,2'-3H-cyclopenta[a]naphthalene]-4-yl)benzoate","","COC(=O)C1=CC=CC=C1C2CN=NC23CC4=C(C3=O)C5=CC=CC=C5C=C4","VODISZCOJIVBTN-UHFFFAOYSA-N","393828",NA,"PDBC38863","696649","Present"
-"Methyl 2-(1,1,3,3,7,7,9,9-octamethyl-2,8-dioxo-5,10-dithia-11-azadispiro[3.1.3^{6}.2^{4}]undecan-11-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1,1,3,3,7,7,9,9-octamethyl-2,8-dioxo-5,10-dithia-11-azadispiro[3.1.36.24]undecan-11-yl)acetate","","CC1(C(=O)C(C12N(SC3(S2)C(C(=O)C3(C)C)(C)C)CC(=O)OC)(C)C)C","DRERXGGTVRBVQG-UHFFFAOYSA-N","393782",NA,"PDBC38864","696469","Present"
-"Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoate","","COC(=O)C1=CC=CC=C1CC2CC3=C(C2)C=C4CCCC4=C3","VHBNZKSROKKYTN-UHFFFAOYSA-N","382646",NA,"PDBC38865","670294","Present"
-"Methyl 2-(1,2,3,6,7,8-hexahydro-as-indacen-2-ylmethyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1,2,3,6,7,8-hexahydro-as-indacen-2-ylmethyl)benzoate","","COC(=O)C1=CC=CC=C1CC2CC3=C(C2)C4=C(CCC4)C=C3","KKVDJLDHHJXSLH-UHFFFAOYSA-N","385656",NA,"PDBC38866","677002","Present"
-"Methyl 2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","COC1=CC(=CC(=C1OC)OC)C2=C(CC(O2)C3=CC4=C(C=C3)OCO4)C(=O)OC","XPYVEYIFZHTOLB-UHFFFAOYSA-N","359010",NA,"PDBC38867","619222","Present"
-"Methyl 2-(1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoate","","COC(=O)C1=CC=CC=C1N2C(=O)CC3=CC=CC=C3C2=O","YRAYHMOVHPNTLM-UHFFFAOYSA-N","362863",NA,"PDBC38868","627269","Present"
-"Methyl 2-(1,3-dioxoisoindol-2-yl)oxy-7-(pentanoylamino)-1,8-naphthyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1,3-dioxoisoindol-2-yl)oxy-7-(pentanoylamino)-1,8-naphthyridine-3-carboxylate","","CCCCC(=O)NC1=NC2=NC(=C(C=C2C=C1)C(=O)OC)ON3C(=O)C4=CC=CC=C4C3=O","IZLUZISUDWSWLZ-UHFFFAOYSA-N","4389015",NA,"PDBC38869","700519","Present"
-"Methyl 2-(1,4-dihydroxy-9,10-dioxo-2-anthryl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1,4-dihydroxy-9,10-dioxo-2-anthryl)acetate","","COC(=O)CC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O","GANZBZTUAZSPKG-UHFFFAOYSA-N","438245",NA,"PDBC38870","628529","Present"
-"Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(2-iodophenyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(2-iodophenyl)propanoate","","COC(=O)C(CC1=CC=CC=C1I)C2=CCC3(CC2)OCCO3","WWSDPLYIMKUEOL-UHFFFAOYSA-N","395123",NA,"PDBC38871","699414","Present"
-"Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)butanoate","","COC(=O)C(CCC1=CC=CC=C1I)C2=CCC3(CC2)OCCO3","ULQAGRMDQCLWAC-UHFFFAOYSA-N","395124",NA,"PDBC38872","699415","Present"
-"Methyl 2-(1,7-octadiynyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1,7-octadiynyl)benzoate","","COC(=O)C1=CC=CC=C1C#CCCCCC#C","MPQDPTXPCUYGHH-UHFFFAOYSA-N","373288",NA,"PDBC38873","649437","Present"
-"Methyl 2-(1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(3-(hydroxy(oxido)amino)anilino)-2-oxoethylidene)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl N-[(Z)-[2-(3-nitroanilino)-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-oxoethylidene]amino]carbamate","","COC(=O)NN=C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","JCWSWXIPRDXDFR-JCMHNJIXSA-N","135499200",NA,"PDBC38874","644727","Present"
-"Methyl 2-(1-(6-methyl-2-pyridinyl)ethylidene)hydrazinecarbodithioate","","","","","","","","","","","","","","","","","","","","Hydrazinecarbodithioic acid, [(6-methyl-2-pyridinyl) eth...","","CC1=NC(=CC=C1)C(=NNC(=S)SC)C","FBWSJSWNFLLJJB-XYOKQWHBSA-N","9574347",NA,"PDBC38875","600060","Present"
-"Methyl 2-(1-oxo-2,3-dihydroinden-4-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(1-oxoindan-4-yl)acetate","","COC(=O)CC1=C2CCC(=O)C2=CC=C1","OVGBVYCGTGUXJN-UHFFFAOYSA-N","385734",NA,"PDBC38876","677081","Present"
-"Methyl 2-(10-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(10-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl)acetate","","COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4CC(=O)OC)C2=NC5=CC=CC=C51","HTYSQIPYHSIWAC-UHFFFAOYSA-N","373980",NA,"PDBC38877","651012","Present"
-"Methyl 2-(12-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4,6,8,14,16,18-heptaen-20-yl)acetate","","","","","","","","","","","","","","","","","","","","(6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a","","COC(=O)CC1C2C3=C(CC(=O)N2C4=CC=CC=C14)C5=CC=CC=C5N3","FOPDNKXARDERIV-UHFFFAOYSA-N","390771",NA,"PDBC38878","688534","Present"
-"Methyl 2-(2,2,4,4-tetramethyl-3-oxocyclobutylidene)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2,2,4,4-tetramethyl-3-oxocyclobutylidene)hydrazinecarboxylate","","CC1(C(=NNC(=O)OC)C(C1=O)(C)C)C","QZSZSDOXROKPFH-UHFFFAOYSA-N","369749",NA,"PDBC38879","641840","Present"
-"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","COC(=O)C1(CC2=C(C1)C=C3CCCC3=C2)CC4=CC5=C(CCC5)C=C4","IABSGNLEIGJVPE-UHFFFAOYSA-N","384734",NA,"PDBC38880","674969","Present"
-"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate","","COC(=O)C1(CC2=C(C1O)C3=C(CCC3)C=C2)CC4=CC5=C(CCC5)C=C4","OWCFGVVLNAWNMG-UHFFFAOYSA-N","385704",NA,"PDBC38881","677050","Present"
-"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-2-indanecarboxylate","","COC(=O)C1(CC2=CC=CC=C2C1O)CC3=CC4=C(CCC4)C=C3","JTNOFAUZAFMDAA-UHFFFAOYSA-N","382682",NA,"PDBC38882","670330","Present"
-"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate","","COC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC5=C(CCC5)C=C4","OJPPMCOCOQWCNP-UHFFFAOYSA-N","384730",NA,"PDBC38883","674966","Present"
-"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","as-Indacene-2-carboxylic acid, 1,2,3,6,7,8-hexahydro- 2-...","","COC(=O)C1(CC2=C(C1=O)C3=C(CCC3)C=C2)CC4=CC5=C(CCC5)C=C4","YKSOYPDYFJXGDF-UHFFFAOYSA-N","385670",NA,"PDBC38884","677016","Present"
-"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-indanecarboxylate","","COC(=O)C1(CC2=CC=CC=C2C1)CC3=CC4=C(CCC4)C=C3","GKCKRAPAMUQVKU-UHFFFAOYSA-N","382693",NA,"PDBC38885","670341","Present"
-"Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate","","COC(=O)C(=C=C)S(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","DCOLBCFJIUBFBA-UHFFFAOYSA-N","361729",NA,"PDBC38886","624971","Present"
-"Methyl 2-(2,4-dioxopentan-3-yl)-3,6-dihydroxybenzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2,4-dioxopentan-3-yl)-3,6-dihydroxybenzoate","","CC(=O)C(C1=C(C=CC(=C1C(=O)OC)O)O)C(=O)C","IJFHMXJRIPGZJR-UHFFFAOYSA-N","359536",NA,"PDBC38887","620519","Present"
-"Methyl 2-(2,5-dioxo-7,8-dihydro-6H-chromen-4-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2,5-dioxo-7,8-dihydro-6H-chromen-4-yl)acetate","","COC(=O)CC1=CC(=O)OC2=C1C(=O)CCC2","XBVPBYSDEREVKC-UHFFFAOYSA-N","364135",NA,"PDBC38888","629807","Present"
-"Methyl 2-(2-((3,4-dimethylanilino)carbonyl)-7-hydroxy-4H-chromen-4-ylidene)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-((3,4-dimethylanilino)carbonyl)-7-hydroxy-4H-chromen-4-ylidene)hydrazinecarboxylate","","CC1=C(C=C(C=C1)NC(=O)C2=CC(=NNC(=O)OC)C3=C(O2)C=C(C=C3)O)C","KDJBJIXYCVWETL-CJLVFECKSA-N","135499256",NA,"PDBC38889","647111","Present"
-"Methyl 2-(2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methoxy-3-oxopropyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methoxy-3-oxopropyl)benzoate","","COC(=O)C1=CC=CC=C1CC(CC2=CC3=C(CCC3)C=C2)C(=O)OC","SIIWIPKLSNSSHP-UHFFFAOYSA-N","382645",NA,"PDBC38890","670293","Present"
-"Methyl 2-(2-(2,4-bis(hydroxy(oxido)amino)anilino)-1-((3-hydroxy-4-oxo-4H-pyran-2-yl)methyl)-2-oxoethylidene)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl N-[(Z)-[1-(2,4-dinitroanilino)-3-(3-hydroxy-4-oxopyran-2-yl)-1-oxopropan-2-ylidene]amino]carbamate","","COC(=O)NN=C(CC1=C(C(=O)C=CO1)O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","HEVHFUMBXZGJEX-ZDLGFXPLSA-N","5918279",NA,"PDBC38891","644765","Present"
-"Methyl 2-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)-3-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)-3-oxobutanoate","","CC(=O)C(CCC1(OCCO1)C)C(=O)OC","BDRVLXIJQJLSSU-UHFFFAOYSA-N","373313",NA,"PDBC38892","649459","Present"
-"Methyl 2-(2-(3,4-dichloroanilino)-2-oxoethyl)-4-(2-ethyl-6-isopropylanilino)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-(3,4-dichloroanilino)-2-oxoethyl)-4-(2-ethyl-6-isopropylanilino)-3,4-dioxobutanoate","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)OC","CVXATYQXHDGXNY-UHFFFAOYSA-N","366772",NA,"PDBC38893","635545","Present"
-"Methyl 2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-4-(2-methoxyanilino)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-4-(2-methoxyanilino)-3,4-dioxobutanoate","","COC1=CC=CC=C1NC(=O)C(=O)C(C2=CSC(=N2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC","OVMHGDGCPAZSJH-UHFFFAOYSA-N","370975",NA,"PDBC38894","644781","Present"
-"Methyl 2-(2-acetamidophenyl)-4-oxo-4-phenylbutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-acetamidophenyl)-4-oxo-4-phenylbutanoate","","CC(=O)NC1=CC=CC=C1C(CC(=O)C2=CC=CC=C2)C(=O)OC","RWKSNOWEOSMOSZ-UHFFFAOYSA-N","360050",NA,"PDBC38895","621848","Present"
-"Methyl 2-(2-aminothiazol-4-yl)-3,4-dioxo-4-[(5-sulfanyl-4H-1,2,4-triazol-3-yl)amino]butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-aminothiazol-4-yl)-3,4-dioxo-4-[(5-sulfanyl-4H-1,2,4-triazol-3-yl)amino]butanoate","","COC(=O)C(C1=CSC(=N1)N)C(=O)C(=O)NC2=NC(=S)NN2","HJBOCSLWBMHNHH-UHFFFAOYSA-N","3001878",NA,"PDBC38896","642019","Present"
-"Methyl 2-(2-anilino-6-chloropurin-9-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-anilino-6-chloro-purin-9-yl)acetate","","COC(=O)CN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3","TYEJVTLASJBZCZ-UHFFFAOYSA-N","385889",NA,"PDBC38897","677290","Present"
-"Methyl 2-(2-benzyl-3-methoxy-3-oxopropyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-benzyl-3-methoxy-3-oxopropyl)benzoate","","COC(=O)C1=CC=CC=C1CC(CC2=CC=CC=C2)C(=O)OC","KXYNIWSTCAWPES-UHFFFAOYSA-N","385643",NA,"PDBC38898","676990","Present"
-"Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-bromo-4,5-dimethoxyphenylacetate","","COC1=C(C=C(C(=C1)CC(=O)OC)Br)OC","UIVBNMQTXLCVTF-UHFFFAOYSA-N","366735",NA,"PDBC38899","635457","Present"
-"Methyl 2-(2-methoxy-2-oxoethyl)-3-oxo-2,3,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b(5H)-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-methoxy-2-oxoethyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate","","COC(=O)CC1CC2(C3=C(CCN2C1=O)C4=CC=CC=C4N3)C(=O)OC","HTQIXMOSAIFIRX-UHFFFAOYSA-N","372191",NA,"PDBC38900","647141","Present"
-"Methyl 2-(2-methoxycarbonylanilino)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-{[2-(methoxycarbonyl)phenyl]amino}benzoate","","COC(=O)C1=CC=CC=C1NC2=CC=CC=C2C(=O)OC","JLSSXSAGWDRWFB-UHFFFAOYSA-N","397346",NA,"PDBC38901","704956","Present"
-"Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate","","COC(=O)C(=C=C)S(=O)C1=CC=CC=C1[N+](=O)[O-]","GEBFEMXUNDNPRU-UHFFFAOYSA-N","361728",NA,"PDBC38902","624970","Present"
-"Methyl 2-(3,4-dichlorophenyl)-4-quinazolinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3,4-dichlorophenyl)-4-quinazolinecarboxylate","","COC(=O)C1=NC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)Cl)Cl","NDPRJGKBCKBXNH-UHFFFAOYSA-N","362932",NA,"PDBC38903","627408","Present"
-"Methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate","","COC(=O)CCC1=CC2=C(C(=C1)O)OC(C2C(=O)OC)C3=CC(=C(C=C3)O)O","OSQXDMXNVSJFCV-UHFFFAOYSA-N","384751",NA,"PDBC38904","675004","Present"
-"Methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","NSC787794///NSC787798","","COC(=O)C=CC1=CC2=C(C(=C1)O)OC(C2C(=O)OC)C3=CC(=C(C=C3)O)O","HDONJQIYHGHIJV-ZZXKWVIFSA-N","5857314",NA,"PDBC38905","787794///787798","Present"
-"Methyl 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","COC1=C(C=C(C=C1)C2CC(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC)OC","UWKNAXVVWDCIIA-UHFFFAOYSA-N","360155",NA,"PDBC38906","622088","Present"
-"Methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","NSC674999///NSC675000","","COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)CCC(=O)OC)OC)C(=O)OC)OC","VYPDDYLRLTWJLX-UHFFFAOYSA-N","3776337",NA,"PDBC38907","674999///675000","Present"
-"Methyl 2-(3-((2-((ethylthio)methyl)benzoyl)(2-(1H-indol-3-yl)ethyl)amino)-3-oxopropyl)acrylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-((2-((ethylthio)methyl)benzoyl)(2-(1H-indol-3-yl)ethyl)amino)-3-oxopropyl)acrylate","","CCSCC1=CC=CC=C1C(=O)N(CCC2=CNC3=CC=CC=C32)C(=O)CCC(=C)C(=O)OC","SXOFCISOFVBKOC-UHFFFAOYSA-N","394458",NA,"PDBC38908","697932","Present"
-"Methyl 2-(3-(3-(hydroxy(oxido)amino)anilino)-1-methyl-3-oxopropylidene)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-(3-(hydroxy(oxido)amino)anilino)-1-methyl-3-oxopropylidene)hydrazinecarboxylate","","CC(=NNC(=O)OC)CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]","KWLJAKXLJTUOSL-RIYZIHGNSA-N","9571302",NA,"PDBC38909","641859","Present"
-"Methyl 2-(3-(4-chloroanilino)-1-methyl-3-oxopropylidene)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-(4-chloroanilino)-1-methyl-3-oxopropylidene)hydrazinecarboxylate","","CC(=NNC(=O)OC)CC(=O)NC1=CC=C(C=C1)Cl","SMNXRFVUHAVDJG-OVCLIPMQSA-N","6111169",NA,"PDBC38910","641868","Present"
-"Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate","","CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)OC","OARBMTDZDXDRRV-UHFFFAOYSA-N","378998",NA,"PDBC38911","662767","Present"
-"Methyl 2-(3-hydroxy-6,7-dimethyl-2-quinoxalinyl)-4-(4-(hydroxy(oxido)amino)anilino)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-hydroxy-6,7-dimethyl-quinoxalin-2-yl)-4-(4-nitroanilino)-3,4-dioxo-butanoate","","CC1=CC2=C(C=C1C)N=C(C(=O)N2)C(C(=O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC","WEWYFGNDCXOALE-UHFFFAOYSA-N","370976",NA,"PDBC38912","644782","Present"
-"Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxo-4-(2-toluidino)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(2-methylphenyl)amino]-2-(6-nitro-3-oxo-3,4-dihydroquinoxalin-2-yl)-3,4-dioxobutanoate","","CC1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC","VPTLVUHZPYJLOO-UHFFFAOYSA-N","369844",NA,"PDBC38913","642041","Present"
-"Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxo-4-(4-toluidino)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxo-4-(4-toluidino)butanoate","","CC1=CC=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC","RAGNDLSPJURXAF-UHFFFAOYSA-N","369834",NA,"PDBC38914","642031","Present"
-"Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-(3-(hydroxy(oxido)amino)anilino)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-hydroxy-6-nitro-quinoxalin-2-yl)-4-(3-nitroanilino)-3,4-dioxo-butanoate","","COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","SQHPFUOMSJZINT-UHFFFAOYSA-N","369845",NA,"PDBC38915","642042","Present"
-"Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-(4-(hydroxy(oxido)amino)anilino)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-hydroxy-6-nitro-quinoxalin-2-yl)-4-(4-nitroanilino)-3,4-dioxo-butanoate","","COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","DLTZSFGVXZRAMZ-UHFFFAOYSA-N","369859",NA,"PDBC38916","642055","Present"
-"Methyl 2-(3-methoxy-2-(2-methylbenzyl)-3-oxopropyl)-5-methylbenzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-methoxy-2-(2-methylbenzyl)-3-oxopropyl)-5-methylbenzoate","","CC1=CC(=C(C=C1)CC(CC2=CC=CC=C2C)C(=O)OC)C(=O)OC","CDVMJIHYSQQTGH-UHFFFAOYSA-N","385641",NA,"PDBC38917","676988","Present"
-"Methyl 2-(3-methoxy-2-(3-methylbenzyl)-3-oxopropyl)-5-methylbenzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(3-methoxy-2-(3-methylbenzyl)-3-oxopropyl)-5-methylbenzoate","","CC1=CC(=CC=C1)CC(CC2=C(C=C(C=C2)C)C(=O)OC)C(=O)OC","HVUQYOHRPAQDRZ-UHFFFAOYSA-N","385642",NA,"PDBC38918","676989","Present"
-"Methyl 2-(3-methoxy-3-oxo-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propyl)-5,6,7,8-tetrahydro-1-naphthalenecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-[3-methoxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-5-carboxylate","","COC(=O)C1=C(C=CC2=C1CCCC2)CC(CC3=CC4=C(CCCC4)C=C3)C(=O)OC","GKFXMNJGHSNROE-UHFFFAOYSA-N","385653",NA,"PDBC38919","676999","Present"
-"Methyl 2-(4,8-dimethyl-7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(4,8-dimethyl-7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","CC1=C2CCCC2=C(C3=C1CC4(C3=O)C(CN=N4)C5=CC=CC=C5C(=O)OC)C","LINJHLJVJTZHFG-UHFFFAOYSA-N","386189",NA,"PDBC38920","677811","Present"
-"Methyl 2-(4-bromo-2-thienyl)-5-cyano-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(4-bromothiophen-2-yl)-5-cyano-1H-pyrrole-3-carboxylate","","COC(=O)C1=C(NC(=C1)C#N)C2=CC(=CS2)Br","AZYSSXQXNGPHLZ-UHFFFAOYSA-N","395470",NA,"PDBC38921","700033","Present"
-"Methyl 2-(4-bromophenyl)-2-hydroperoxy-5-oxo-furan-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(4-bromophenyl)-2-hydroperoxy-5-oxo-furan-3-carboxylate","","COC(=O)C1=CC(=O)OC1(C2=CC=C(C=C2)Br)OO","YGVJADOWJUYOJD-UHFFFAOYSA-N","391994",NA,"PDBC38922","691783","Present"
-"Methyl 2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","Benzofuran-3-carboxylic acid, 2,3-dihydro- 2-(4-hydroxy-...///NSC674996///2-Propenoic acid, 3-[2,3-dihydro-2-(4-hydroxy- 3-methoxy...","","COC1=CC(=CC2=C1OC(C2C(=O)OC)C3=CC(=C(C=C3)O)OC)C=CC(=O)OC","TUMXSJCAHHPAFR-VMPITWQZSA-N","6157056",NA,"PDBC38923","674908///674996///687453","Present"
-"Methyl 2-(4-hydroxyphenoxy)propanoate","","","","","","","","","","","","","","","","","","","","AK166985","","CC(C(=O)OC)OC1=CC=C(C=C1)O","UUYSCNGPNOYZMC-UHFFFAOYSA-N","366926",NA,"PDBC38924","636090","Present"
-"Methyl 2-(5-((methylsulfonyl)oxy)-1-pentynyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(5-((methylsulfonyl)oxy)-1-pentynyl)benzoate","","COC(=O)C1=CC=CC=C1C#CCCCOS(=O)(=O)C","SSJDDZFPOKBJIG-UHFFFAOYSA-N","379172",NA,"PDBC38925","663584","Present"
-"Methyl 2-(5-(hydroxy(oxido)amino)-3-oxo-2-phenyl-2,3-dihydro-4-pyridazinyl)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(5-(hydroxy(oxido)amino)-3-oxo-2-phenyl-2,3-dihydro-4-pyridazinyl)hydrazinecarboxylate","","COC(=O)NNC1=C(C=NN(C1=O)C2=CC=CC=C2)[N+](=O)[O-]","AUZKHCZIHKJIDP-UHFFFAOYSA-N","3822841",NA,"PDBC38926","641821","Present"
-"Methyl 2-(5-(methoxyimino)-1-hexynyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(5-(methoxyimino)-1-hexynyl)benzoate","","CC(=NOC)CCC#CC1=CC=CC=C1C(=O)OC","ZYZQDFPRTVHELM-FOWTUZBSSA-N","9571441",NA,"PDBC38927","663582","Present"
-"Methyl 2-(5-bromo-2-thienyl)-5-cyano-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(5-bromothiophen-2-yl)-5-cyano-1H-pyrrole-3-carboxylate","","COC(=O)C1=C(NC(=C1)C#N)C2=CC=C(S2)Br","AKPFKOYLXTVTSF-UHFFFAOYSA-N","395471",NA,"PDBC38928","700034","Present"
-"Methyl 2-(5-ethyl-2-oxopiperidin-4-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(5-ethyl-2-oxopiperidin-4-yl)acetate","","CCC1CNC(=O)CC1CC(=O)OC","NEELWIRTFMLGCA-UHFFFAOYSA-N","359211",NA,"PDBC38929","619920","Present"
-"Methyl 2-(5-imino-4H-1,2,4-dithiazol-2-ium-3-yl)-4-(3-methylanilino)-3,4-dioxo-butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(5-imino-4H-1,2,4-dithiazol-2-ium-3-yl)-4-(3-methylanilino)-3,4-dioxo-butanoate","","","","",NA,"PDBC38930","642020","Present"
-"Methyl 2-(5-oxo-3-tricyclo[2.2.1.02,6]heptanyl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(5-oxo-3-tricyclo[2.2.1.02,6]heptanyl)acetate","","COC(=O)CC1C2CC3C1C3C2=O","ZCPMHACPPFBFPN-UHFFFAOYSA-N","380731",NA,"PDBC38931","666438","Present"
-"Methyl 2-(6-amino-5-cyano-3-nitro-4-phenyl-4H-pyran-2-yl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(6-amino-5-cyano-3-nitro-4-phenyl-4H-pyran-2-yl)benzoate","","COC(=O)C1=CC=CC=C1C2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3)[N+](=O)[O-]","NBJPQWIOYNFAGB-UHFFFAOYSA-N","401624",NA,"PDBC38932","715321","Present"
-"Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3-hydrazono-4-oxo-4-(2,4,5-trichloroanilino)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3-hydrazono-4-oxo-4-(2,4,5-trichloroanilino)butanoate","","COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=NN)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl","HBHZLDRKDHJHNJ-NTFVMDSBSA-N","9571367",NA,"PDBC38933","648656","Present"
-"Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-((6-methyl-2,3-dihydro-1,3-benzothiazol-2-yl)amino)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(6-chloro-3-hydroxyquinoxalin-2-yl)-4-(6-methyl...","","CC1=CC2=C(C=C1)NC(S2)NC(=O)C(=O)C(C3=NC4=C(C=C(C=C4)Cl)NC3=O)C(=O)OC","VIXLQFGANPCWNB-UHFFFAOYSA-N","372894",NA,"PDBC38934","648606","Present"
-"Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-(3-hydroxyanilino)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl-2-(6-chloro-3-hydroxyquinoxalin-2-yl)- 4-(3-hydro...","","COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC(=CC=C3)O","PZESIQYXROYGRY-UHFFFAOYSA-N","369267",NA,"PDBC38935","640998","Present"
-"Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-(4-ethoxyanilino)-3-hydrazono-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-(4-ethoxyanilino)-3-hydrazono-4-oxobutanoate","","CCOC1=CC=C(C=C1)NC(=O)C(=NN)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","NENMRBJMLICCCH-IMRQLAEWSA-N","5900389",NA,"PDBC38936","648652","Present"
-"Methyl 2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-4-(2,4-dinitroanilino)-3,4-dioxo-butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-4-(2,4-dinitroanilino)-3,4-dioxo-butanoate","","COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","KMPWEKGMEWBRSH-UHFFFAOYSA-N","369268",NA,"PDBC38937","640999","Present"
-"Methyl 2-(6-chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3,4-dioxobutanoate","","COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]","CWIVUEJPXVKMBJ-UHFFFAOYSA-N","369266",NA,"PDBC38938","640997","Present"
-"Methyl 2-(6-formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxy-benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(6-formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzoate","","COC1=C(C(=C(C(=C1)C(=O)OC)C2=CC3=C(C=C2C=O)OCO3)OC)OC","FBSHJSDEBRZUQN-UHFFFAOYSA-N","372307",NA,"PDBC38939","647366","Present"
-"Methyl 2-(6-methoxy-6-methyl-3H-1,2-dioxin-3-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(6-methoxy-6-methyl-3H-1,2-dioxin-3-yl)acetate","","CC1(C=CC(OO1)CC(=O)OC)OC","MLWTVQDCBPSJKF-UHFFFAOYSA-N","380167",NA,"PDBC38940","665605","Present"
-"Methyl 2-(6-oxospiro[1,2,3,8-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","","","","","","","","","","","","","","","","","","","methyl 2-(6-oxospiro[1,2,3,8-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","COC(=O)C1=CC=CC=C1C2CN=NC23CC4=C(C3=O)C=CC5=C4CCC5","BEVZCKSDDOQXIV-UHFFFAOYSA-N","385687",NA,"PDBC38941","677033","Present"
-"Methyl 2-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","","","","","","","","","","","","","","","","","","","methyl 2-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","COC(=O)C1=CC=CC=C1C2CN=NC23CC4=C(C3=O)C=C5CCCC5=C4","DKRRNCHPNPUSKH-UHFFFAOYSA-N","386180",NA,"PDBC38942","677802","Present"
-"Methyl 2-(8-oxospiro[1,2,3,6-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","","","","","","","","","","","","","","","","","","","methyl 2-(8-oxospiro[1,2,3,6-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate","","COC(=O)C1=CC=CC=C1C2CN=NC23CC4=C(C3=O)C5=C(CCC5)C=C4","BOTBPMPLRZLKRF-UHFFFAOYSA-N","386188",NA,"PDBC38943","677810","Present"
-"Methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-(9H-fluoren-9-ylmethoxycarbonylsulfanylmethyl)-2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[3-(9H-fluoren-9-ylmethoxycarbonylsulfanyl)-1-[(2-methoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate","","COC(=O)CNC(=O)C(CSC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)CCC(C(=O)OC)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46","JFGHFCCXZAAPHY-UHFFFAOYSA-N","378793",NA,"PDBC38944","661969","Present"
-"Methyl 2-(acetylamino)-3-(1-acetyl-1H-1,2,3-benzotriazol-5-yl)-2-methylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(acetylamino)-3-(1-acetyl-1H-1,2,3-benzotriazol-5-yl)-2-methylpropanoate","","CC(=O)NC(C)(CC1=CC2=C(C=C1)N(N=N2)C(=O)C)C(=O)OC","YHSGHWDLEUMGQT-UHFFFAOYSA-N","379700",NA,"PDBC38945","664573","Present"
-"Methyl 2-(anilinocarbamoyl)-1-(2-chloro-3-pyridyl)-4,6-diphenyl-4H-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(anilinocarbamoyl)-1-(2-chloro-3-pyridyl)-4,6-diphenyl-4H-pyridine-3-carboxylate","","COC(=O)C1=C(N(C(=CC1C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=CC=C4)Cl)C(=O)NNC5=CC=CC=C5","UGXSAVCHGLFGQE-UHFFFAOYSA-N","392307",NA,"PDBC38946","692583","Present"
-"Methyl 2-(benzo[D]oxazol-2-YL)acetate","","","","","","","","","","","","","","","","","","","","ACT10228","","COC(=O)CC1=NC2=CC=CC=C2O1","MNHNHFXKAPDHJQ-UHFFFAOYSA-N","365131",NA,"PDBC38947","632232","Present"
-"Methyl 2-(benzoyl-2-methylanilino)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[benzoyl(2-methylphenyl)amino]benzoate","","CC1=CC=CC=C1N(C2=CC=CC=C2C(=O)OC)C(=O)C3=CC=CC=C3","XKQZSXWWBSSKHS-UHFFFAOYSA-N","362098",NA,"PDBC38948","625627","Present"
-"Methyl 2-(benzoylamino)-3-(4-(5-(2-(benzoylamino)-3-methoxy-3-oxopropyl)-2-methoxyphenoxy)phenyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzamido-3-[4-[5-(2-benzamido-3-methoxy-3-oxo-propyl)-2-methoxy-phenoxy]phenyl]propanoate","","COC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=CC=CC=C4","SQNLQLFWFGUYMB-UHFFFAOYSA-N","394215",NA,"PDBC38949","697497","Present"
-"Methyl 2-(benzoylamino)-3-(4-chlorophenyl)-3-(dimethoxyphosphoryl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(benzoylamino)-3-(4-chlorophenyl)-3-(dimethoxyphosphoryl)propanoate","","COC(=O)C(C(C1=CC=C(C=C1)Cl)P(=O)(OC)OC)NC(=O)C2=CC=CC=C2","PHLNZBHKQDKZBX-UHFFFAOYSA-N","369435",NA,"PDBC38950","641205","Present"
-"Methyl 2-(benzylideneamino)-2-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(benzylideneamino)-2-phenylpropanoate","","CC(C1=CC=CC=C1)(C(=O)OC)N=CC2=CC=CC=C2","TXWAZSTVJZXZAH-UHFFFAOYSA-N","381757",NA,"PDBC38951","668829","Present"
-"Methyl 2-(benzylideneamino)-4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(benzylideneamino)-4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]butanoate","","CC1=CC=C(C=C1)S(=O)(=O)N2CC(C=C2)CCC(C(=O)OC)N=CC3=CC=CC=C3","IWBQIMFWJBSYEE-UHFFFAOYSA-N","401739",NA,"PDBC38952","715469","Present"
-"Methyl 2-(benzylideneamino)-4-cyclopent-2-en-1-ylbutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-cyclopent-2-en-1-yl-2-{[(1e)-phenylmethylidene]amino}butanoate","","COC(=O)C(CCC1CCC=C1)N=CC2=CC=CC=C2","MRFMREBRFTXQMX-UHFFFAOYSA-N","401736",NA,"PDBC38953","715466","Present"
-"Methyl 2-(bis(4-chlorophenyl)methylene)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(bis(4-chlorophenyl)methylene)hydrazinecarboxylate","","COC(=O)NN=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl","ISAVJAUSLFYEAU-UHFFFAOYSA-N","392317",NA,"PDBC38954","692593","Present"
-"Methyl 2-(carbamoylamino)-1-hydroxy-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 7-(carbamoylamino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate","","CC1=C(C2(CCOC2=O)C(N1NC(=O)N)(C)O)C(=O)OC","LCRYSXFUVYHJIP-UHFFFAOYSA-N","364555",NA,"PDBC38955","630975","Present"
-"Methyl 2-(cyanoamino)-5-hexadecyl-6-hydroxy-4-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(cyanoamino)-5-hexadecyl-6-hydroxy-4-pyrimidinecarboxylate","","CCCCCCCCCCCCCCCCC1=C(N=C(NC1=O)NC#N)C(=O)OC","ZHBSMQLSYFSJDE-UHFFFAOYSA-N","135483401",NA,"PDBC38956","635410","Present"
-"Methyl 2-(cyanoamino)-6-hydroxy-5-methyl-4-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(cyanoamino)-6-hydroxy-5-methyl-4-pyrimidinecarboxylate","","CC1=C(N=C(NC1=O)NC#N)C(=O)OC","MBVVESNNYINVKL-UHFFFAOYSA-N","135503458",NA,"PDBC38957","635118","Present"
-"Methyl 2-(diethoxyphosphoryl)-4-(3-hydroxyanilino)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(diethoxyphosphoryl)-4-(3-hydroxyanilino)-3,4-dioxobutanoate","","CCOP(=O)(C(C(=O)C(=O)NC1=CC(=CC=C1)O)C(=O)OC)OCC","JPCOBXXWQUIDQT-UHFFFAOYSA-N","372920",NA,"PDBC38958","648632","Present"
-"Methyl 2-(hydroxyimino)-6-methyl-4-oxo-3-(oxo(2-toluidino)acetyl)-5-heptenoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(hydroxyimino)-6-methyl-4-oxo-3-(oxo(2-toluidino)acetyl)-5-heptenoate","","CC1=CC=CC=C1NC(=O)C(=O)C(C(=O)C=C(C)C)C(=NO)C(=O)OC","KMLZUNUPNDWMJH-HKWRFOASSA-N","9571315",NA,"PDBC38959","642010","Present"
-"Methyl 2-(hydroxymethyl)-2-methylhexahydropyrrolo[1,2-b]isoxazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Pyrrolo[1,2-b]isoxazole-3-carboxylic acid, hexahydro-2- ...","","CC1(C(C2CCCN2O1)C(=O)OC)CO","IEGITOVAHPUMQE-UHFFFAOYSA-N","354905",NA,"PDBC38960","607620","Present"
-"Methyl 2-(indan-5-ylmethyl)-3,6,7,8-tetrahydro-1H-as-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(indan-5-ylmethyl)-3,6,7,8-tetrahydro-1H-as-indacene-2-carboxylate","","COC(=O)C1(CC2=C(C1)C3=C(CCC3)C=C2)CC4=CC5=C(CCC5)C=C4","CLTWCRYMQAXOCP-UHFFFAOYSA-N","385705",NA,"PDBC38961","677051","Present"
-"Methyl 2-(nonan-5-ylidene)hydrazine-1-carbodithioate","","","","","","","","","","","","","","","","","","","","(1-BUTYLPENTYLIDENE)HYDRAZINECARBODITHIOIC ACID, METHYL ...","","CCCCC(=NNC(=S)SC)CCCC","WWSXHBONVDBAHQ-UHFFFAOYSA-N","3310000",NA,"PDBC38962","251184","Present"
-"Methyl 2-(tert-butylhydrazono)-5-(2,5-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-4,5-dioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-(tert-butylhydrazinylidene)-5-(2,5-dimethylanilino)-4,5-dioxo-3-(3-oxo-4H-quinoxalin-2-yl)pentanoate","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=NNC(C)(C)C)C(=O)OC","KFDJXIPHCKWCHN-OFWBYEQRSA-N","6110628",NA,"PDBC38963","646803","Present"
-"Methyl 2-[(1,3-dichloro-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)sulfanyl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(1,3-dichloro-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)sulfanyl]acetate","","COC(=O)CSC1CC(=O)C2=C(SC(=C12)Cl)Cl","MKAYYMTYOMNDPZ-UHFFFAOYSA-N","397150",NA,"PDBC38964","704551","Present"
-"Methyl 2-[(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoate","","COC(=O)C1=CC=CC=C1CC2CC3=C(C2=O)C4=C(CCC4)C=C3","HRHNNDVMPVTJIG-UHFFFAOYSA-N","385700",NA,"PDBC38965","677046","Present"
-"Methyl 2-[(1R,2R,6S,7S)-3,5-dithiatricyclo[5.2.1.02,6]dec-8-en-4-ylidene]-1,3-dithiole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(1R,2R,6S,7S)-3,5-dithiatricyclo[5.2.1.02,6]dec-8-en-4-ylidene]-1,3-dithiole-4-carboxylate","","COC(=O)C1=CSC(=C2SC3C4CC(C3S2)C=C4)S1","XBWIMVLZHLPQGG-SWOGREBESA-N","403847",NA,"PDBC38966","719381","Present"
-"Methyl 2-[(1S,4E,9S,10S,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(1S,4E,9S,10S,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoate","","CC1CCCC(=CCCC2(C(CC(C(C1O)O2)C(=C)C(=O)OC)O)C)C","ZFLFURLGKKNRBY-HFOFVVMNSA-N","24204963",NA,"PDBC38967","733755","Present"
-"Methyl 2-[(1S,5S,7S,8R,16S)-5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(1S,5S,7S,8R,16S)-5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate","","CC(=O)OC1CC2C(=C)C3(C1(C(OC(=O)C3O)C4=COC=C4)C)OC5C2(C(C(C(C5)OC(=O)C)(C)C)C(C(=O)OC)O)C","NKHYHRMLCJNKHW-FENVKJGXSA-N","360417",NA,"PDBC38968","622492","Present"
-"Methyl 2-[(2,4-dinitrophenyl)sulfinylmethyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2,4-dinitrophenyl)sulfinylmethyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylate","","COC(=O)C1=C(C2CC1C=C2)CS(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","XREOYMHNQGMZAC-UHFFFAOYSA-N","361731",NA,"PDBC38969","624973","Present"
-"Methyl 2-[(2-acetamido-6-aminohexanoyl)amino]-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2-acetamido-6-aminohexanoyl)amino]-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoy","","CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)OC","MTJGQALNMDGDHT-UHFFFAOYSA-N","11980932",NA,"PDBC38970","686303","Present"
-"Methyl 2-[(2-acetamidoacetyl)amino]-3-[2-[3-[2-[(2-acetamidoacetyl)amino]-3-methoxy-3-oxo-propyl]indolin-2-yl]-1H-indol-3-yl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2-acetamidoacetyl)amino]-3-[2-[3-[2-[(2-acetamidoacetyl)amino]-3-methoxy-3-oxopropyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-3-yl]propanoate","","CC(=O)NCC(=O)NC(CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CC(C(=O)OC)NC(=O)CNC(=O)C)C(=O)OC","NAYAKQBNRFHPQA-UHFFFAOYSA-N","392238",NA,"PDBC38971","692371","Present"
-"Methyl 2-[(2-chloro-3-pyridyl)carbamoyl]-4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitro-phenyl)-6-(p-tolyl)-4h-pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","3-Pyridinecarboxylic acid, 2-[[(2-chloro-3-pyridinyl)ami...","","CC1=CC=C(C=C1)C2=CC(C(=C(N2C3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)NC4=C(N=CC=C4)Cl)C(=O)OC)C5=C(C=C(C=C5)OC)OC","OCTDARMVCSNXNY-UHFFFAOYSA-N","392300",NA,"PDBC38972","692576","Present"
-"Methyl 2-[(2-iodoacetyl)carbamoylcarbamoylamino]-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","NSC783686","","COC(=O)C(CC1=CC=CC=C1)NC(=O)NC(=O)NC(=O)CI","CQKQWOZWMWDJHR-UHFFFAOYSA-N","155805509",NA,"PDBC38973","783686","Present"
-"Methyl 2-[(2-{[(3-amino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]hexanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2-{[(3-amino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]hexanoate","","CCCCC(C(=O)OC)SC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)NC2=NNC(=N2)N","LEJYVRSJMLWXKX-UHFFFAOYSA-N","378476",NA,"PDBC38974","661076","Present"
-"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate","","COC1=CC(=CC(=C1OC)OC)C2=CC(=C(N2)NN=CC3=C(C=CC=C3Cl)Cl)C(=O)OC","ILKOFSMUTKQSAL-OPEKNORGSA-N","45029264",NA,"PDBC38975","745940","Present"
-"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate","","COC1=C(C=C(C=C1)C2=CC(=C(N2)NN=CC3=C(C=CC=C3Cl)Cl)C(=O)OC)OC","RMHKXLLWBNVOEL-BHGWPJFGSA-N","45028155",NA,"PDBC38976","741300","Present"
-"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate","","COC1=CC=C(C=C1)C2=CC(=C(N2)NN=CC3=C(C=CC=C3Cl)Cl)C(=O)OC","JVDJXOLMFJIQMD-FOKLQQMPSA-N","45028154",NA,"PDBC38977","741299","Present"
-"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxylate","","COC(=O)C1=C(NC(=C1)C2=CC=C(C=C2)S(=O)(=O)C)NN=CC3=C(C=CC=C3Cl)Cl","XCICKCJSTYKXFQ-FOKLQQMPSA-N","45029262",NA,"PDBC38978","745938","Present"
-"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate","","COC(=O)C1=C(NC(=C1)C2=CC=CC=C2)NN=CC3=C(C=CC=C3Cl)Cl","LBQYMYYMDKAZPF-SSDVNMTOSA-N","45029263",NA,"PDBC38979","745939","Present"
-"Methyl 2-[(2R,5E,13S)-2-hydroxy-2,6,10-trimethyl-11-oxo-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2R,5E,13S)-2-hydroxy-2,6,10-trimethyl-11-oxo-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoate","","CC1CCCC(=CCCC(C2CC(C(C1=O)O2)C(=C)C(=O)OC)(C)O)C","YPPLIGVHRCUXEZ-DHRBKBQKSA-N","5473307",NA,"PDBC38980","725004","Present"
-"Methyl 2-[(2R,5R)-1-benzoyl-2-cyano-5-(2-nitroethyl)piperidin-4-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2R,5R)-1-benzoyl-2-cyano-5-(2-nitroethyl)piperidin-4-yl]acetate","","COC(=O)CC1CC(N(CC1CC[N+](=O)[O-])C(=O)C2=CC=CC=C2)C#N","CXHODSPIINFOKX-DLDKDUQYSA-N","358298",NA,"PDBC38981","618240","Present"
-"Methyl 2-[(2S,3aR,5R,6aR)-5-[(E,1S)-1-hydroxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(2S,3aR,5R,6aR)-5-[(E,1S)-1-hydroxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate","","CCC=CCC(C1CC2C(O1)CC(O2)CC(=O)OC)O","FITZFEJIAICUEZ-KTRHLVFXSA-N","5469985",NA,"PDBC38982","695219","Present"
-"Methyl 2-[(3-acetamido-2,4-dihydroxy-5-oxo-pentyl)-benzyloxycarbonyl-amino]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(3-acetamido-2,4-dihydroxy-5-oxo-pentyl)-benzyloxycarbonyl-amino]acetate","","CC(=O)NC(C(CN(CC(=O)OC)C(=O)OCC1=CC=CC=C1)O)C(C=O)O","GNURKGQKXGWCSC-UHFFFAOYSA-N","392878",NA,"PDBC38983","693931","Present"
-"Methyl 2-[(3-hydroxyquinoxalin-2-yl)methyl]-4-(4-methoxy-2-nitro-anilino)-3,4-dioxo-butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(3-hydroxyquinoxalin-2-yl)methyl]-4-(4-methoxy-2-nitro-anilino)-3,4-dioxo-butanoate","","COC1=CC(=C(C=C1)NC(=O)C(=O)C(CC2=NC3=CC=CC=C3NC2=O)C(=O)OC)[N+](=O)[O-]","LVEIKMXYLWMYPH-UHFFFAOYSA-N","369561",NA,"PDBC38984","641425","Present"
-"Methyl 2-[(4-methylphenyl)sulfonyloxy-phenyl-lambda3-iodanyl]-2-(triphenyl-lambda5-phosphanylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(4-methylphenyl)sulfonyloxy-phenyl-lambda3-iodanyl]-2-(triphenyl-lambda5-phosphanylidene)acetate","","CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC","JCVZNIJGAOVPCQ-UHFFFAOYSA-N","404462",NA,"PDBC38985","720674","Present"
-"Methyl 2-[(5-carbamoyl-6-methylsulfanyl-4-oxo-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate","","","","","","","","","","","","","","","","","","","","3.4-dihydro-2-methoxycarbonylmethylthio-6-methylthio-4-o...","","COC(=O)CSC1=NC2=C(C(=C(N2)SC)C(=O)N)C(=O)N1C3=CC=CC=C3","GMGWXHOWYQXHQW-UHFFFAOYSA-N","378538",NA,"PDBC38986","661172","Present"
-"Methyl 2-[(5R)-5-ethyl-2-oxopiperidin-4-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(5R)-5-ethyl-2-oxopiperidin-4-yl]acetate","","CCC1CNC(=O)CC1CC(=O)OC","NEELWIRTFMLGCA-JAMMHHFISA-N","359212",NA,"PDBC38987","619921","Present"
-"Methyl 2-[(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]acetate","","CC1(OC2C(C(OC2O1)CNCC(=O)OC)N=[N+]=[N-])C","RGCIXWFJORIFLZ-UHFFFAOYSA-N","392879",NA,"PDBC38988","693932","Present"
-"Methyl 2-[(6-chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]-4-[(2-nitrophenyl)amino]-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(6-chloro-3-oxo-4H-quinoxalin-2-yl)methyl]-4-(2-nitroanilino)-3,4-dioxo-butanoate","","COC(=O)C(CC1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC=CC=C3[N+](=O)[O-]","JMVAKDKBTGCEPQ-UHFFFAOYSA-N","369818",NA,"PDBC38989","642013","Present"
-"Methyl 2-[(E)-(1-methyl-1,3-dihydrocyclopenta[a]naphthalen-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(1-methyl-1,3-dihydrocyclopenta[a]naphthalen-2-ylidene)methyl]benzoate","","CC1C(=CC2=CC=CC=C2C(=O)OC)CC3=C1C4=CC=CC=C4C=C3","WSPBEHDWGJNAIU-CPNJWEJPSA-N","5470021",NA,"PDBC38990","696650","Present"
-"Methyl 2-[(E)-(3-acetamido-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(3-acetamido-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate","","CC(=O)NN1C(=O)C(=CC2=CC3=C(O2)C=C(N3C)C(=O)OC)SC1=S","XEXZCMPBHVNXRV-LFYBBSHMSA-N","24204997",NA,"PDBC38991","733918","Present"
-"Methyl 2-[(E)-(3-oxo-1,6,7,8-tetrahydro-as-indacen-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(3-oxo-1,6,7,8-tetrahydro-as-indacen-2-ylidene)methyl]benzoate","","COC(=O)C1=CC=CC=C1C=C2CC3=C(C2=O)C=CC4=C3CCC4","TUWSHYVJCJVEQK-RVDMUPIBSA-N","5916958",NA,"PDBC38992","678388","Present"
-"Methyl 2-[(E)-(4,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-[(4,6-dimethyl-1-oxo-2-indanylidene) met...","","CC1=CC(=C(C=C1)C=C2CC3=C(C=C(C=C3C2=O)C)C)C(=O)OC","GZXJWIVWNUYCDG-MHWRWJLKSA-N","6477508",NA,"PDBC38993","678383","Present"
-"Methyl 2-[(E)-(4,6-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(4,6-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate","","CC1=CC(=C2CC(=CC3=CC=CC=C3C(=O)OC)C(=O)C2=C1)C","MYOYKPSCVFGEAR-XNTDXEJSSA-N","5914128",NA,"PDBC38994","678366","Present"
-"Methyl 2-[(E)-(4,8-dimethyl-3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(4,8-dimethyl-3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoate","","CC1=C2CCCC2=C(C3=C1CC(=CC4=CC=CC=C4C(=O)OC)C3=O)C","SXOHYDPJAQEFHP-LFIBNONCSA-N","6477511",NA,"PDBC38995","678387","Present"
-"Methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate","","CC1=CC(=C(C=C1)C=C2CC3=C(C2=O)C=C(C(=C3)C)C)C(=O)OC","UXLOMCGGBKKQDP-LICLKQGHSA-N","5924840",NA,"PDBC38996","678369","Present"
-"Methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate","","CC1=CC2=C(C=C1C)C(=O)C(=CC3=CC=CC=C3C(=O)OC)C2","BSXNVBYANSTUHP-MHWRWJLKSA-N","6477503",NA,"PDBC38997","678376","Present"
-"Methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoate","","CC1=C(C(=CC=C1)C=C2CC3=CC(=CC(=C3C2=O)C)C)C(=O)OC","SBAHJKQCPDZPER-LICLKQGHSA-N","6159317",NA,"PDBC38998","678371","Present"
-"Methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate","","CC1=CC(=C2C(=C1)CC(=CC3=CC=CC=C3C(=O)OC)C2=O)C","GZWUHCCYNIAIRS-MHWRWJLKSA-N","6477500",NA,"PDBC38999","678364","Present"
-"Methyl 2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoate","","CC1=C(C(=CC=C1)C=C2CC3=C(C2=O)C(=C(C=C3)C)C)C(=O)OC","YGIUSPVUBJXTBV-LICLKQGHSA-N","5903906",NA,"PDBC39000","678373","Present"
-"Methyl 2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate","","CC1=C(C2=C(CC(=CC3=CC=CC=C3C(=O)OC)C2=O)C=C1)C","UQEMHQIMUFOAKW-MHWRWJLKSA-N","6477505",NA,"PDBC39001","678380","Present"
-"Methyl 2-[(E)-[(cycloheptylamino)-(p-tolylsulfonylamino)methylene]amino]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(E)-[(cycloheptylamino)-(p-tolylsulfonylamino)methylene]amino]benzoate","","CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCCC2)NC3=CC=CC=C3C(=O)OC","HYMBCMZTOVRHBU-UHFFFAOYSA-N","390175",NA,"PDBC39002","687322","Present"
-"Methyl 2-[(E)-[7-[8-[(Z)-(1-benzyl-2-methoxy-2-oxo-ethyl)iminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-2,3,8-trihydroxy-4-isopropyl-6-methyl-1-naphthyl]methyleneamino]-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-phenyl-2-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)iminomethyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylideneam","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC(CC3=CC=CC=C3)C(=O)OC)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC(CC6=CC=CC=C6)C(=O)OC)O)O)C(C)C)O)O","IQVCJMSEVYNHFH-UHFFFAOYSA-N","374355",NA,"PDBC39003","651927","Present"
-"Methyl 2-[(Z)-(1-oxoindan-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(Z)-(1-oxoindan-2-ylidene)methyl]benzoate","","COC(=O)C1=CC=CC=C1C=C2CC3=CC=CC=C3C2=O","LTOWHIPDSPGRMQ-KAMYIIQDSA-N","6477494",NA,"PDBC39004","677056","Present"
-"Methyl 2-[(Z)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(Z)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoate","","CC1=C2C(=CC=C1)CC(=CC3=CC=CC=C3C(=O)OC)C2=O","SKXZCKXMWMOHDB-GDNBJRDFSA-N","6310370",NA,"PDBC39005","677054","Present"
-"Methyl 2-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoate","","COC(=O)C(=C)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3","XUYDGZPYHLHIDJ-UHFFFAOYSA-N","392519",NA,"PDBC39006","693035","Present"
-"Methyl 2-[1-benzyl-2-(cyanoamino)-5-oxo-4H-imidazol-4-yl]pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[1-benzyl-2-(cyanoamino)-5-oxo-4H-imidazol-4-yl]pentanoate","","CCCC(C1C(=O)N(C(=N1)NC#N)CC2=CC=CC=C2)C(=O)OC","MMLCNGCBFLHGEG-UHFFFAOYSA-N","373950",NA,"PDBC39007","650982","Present"
-"Methyl 2-[1-cyano-3-(2-nitroethyl)piperidin-4-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[1-cyano-3-(2-nitroethyl)piperidin-4-yl]acetate","","COC(=O)CC1CCN(CC1CC[N+](=O)[O-])C#N","BUKCXEOGJVKFAW-UHFFFAOYSA-N","359223",NA,"PDBC39008","619932","Present"
-"Methyl 2-[19-(2-methoxy-2-oxoethyl)-11-oxo-10,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),4,6,8,13,15,17-heptaen-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[19-(2-methoxy-2-oxoethyl)-11-oxo-10,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),4,6,8,13,15,17-heptaen-3-yl]acetate","","COC(=O)CC1C2C3=C(C4=CC=CC=C4N3C(=O)N2C5=CC=CC=C15)CC(=O)OC","BLCGEGXEZPZFNQ-UHFFFAOYSA-N","392214",NA,"PDBC39009","692347","Present"
-"Methyl 2-[2'-(5'-Chlorobenzothiazolyl)thio]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2'-(5'-Chlorobenzothiazolyl)thio]propanoate","","CC(C(=O)OC)SC1=NC2=C(S1)C=CC(=C2)Cl","PKRYSGKDHHKOMQ-UHFFFAOYSA-N","391590",NA,"PDBC39010","691045","Present"
-"Methyl 2-[2-(2-pyrazinyl)vinyl]phenyl ether","","","","","","","","","","","","","","","","","","","","AT-051/41206012","","COC1=CC=CC=C1C=CC2=NC=CN=C2","SJLUMZJBWQRCBV-VOTSOKGWSA-N","5929728",NA,"PDBC39011","176651","Present"
-"Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-4-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)amino]butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxo-4-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)amino]butanoate","","COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)NC5=NC(=S)NN5","VEKOERAWPIQDHH-UHFFFAOYSA-N","3004319",NA,"PDBC39012","644780","Present"
-"Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-4-[2-nitro-4-(trifluoromethyl)anilino]-3,4-dioxo-butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-4-[2-nitro-4-(trifluoromethyl)anilino]-3,4-dioxobutanoate","","COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)NC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]","RFXGTFMPZFBPSY-UHFFFAOYSA-N","370966",NA,"PDBC39013","644771","Present"
-"Methyl 2-[2-(benzyloxycarbonylaminomethyl)-1,3-dioxolan-2-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-(benzyloxycarbonylaminomethyl)-1,3-dioxolan-2-yl]acetate","","COC(=O)CC1(OCCO1)CNC(=O)OCC2=CC=CC=C2","LYRJAEACJSQUQF-UHFFFAOYSA-N","390244",NA,"PDBC39014","687536","Present"
-"Methyl 2-[2-(cyanoamino)-1-[2-(1H-indol-3-yl)ethyl]-5-oxo-4H-imidazol-4-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-(cyanoamino)-1-[2-(1H-indol-3-yl)ethyl]-5-oxo-4H-imidazol-4-yl]acetate","","COC(=O)CC1C(=O)N(C(=N1)NC#N)CCC2=CNC3=CC=CC=C32","WMUVJZQIPKZOEC-UHFFFAOYSA-N","375248",NA,"PDBC39015","654637","Present"
-"Methyl 2-[2-[2-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl]-5-[1-(chloromethyl)heptyl]thiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(1-chlorooctan-2-yl)-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate","","CCCCCCC(CCl)C1=C(N=C(S1)C2=CSC(=N2)CCNC(=O)OC(C)(C)C)C(=O)OC","XKVRFQGJQJYOLV-UHFFFAOYSA-N","384603",NA,"PDBC39016","674615","Present"
-"Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]indol-2-yl]-1H-indol-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-[3-(2-methoxy-2-oxoethyl)-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]indol-2-yl]-1H-indol-3-yl]acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=C2C4=C(C5=CC=CC=C5N4)CC(=O)OC)CC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C","QEFOUADVBQEZMG-UHFFFAOYSA-N","392224",NA,"PDBC39017","692357","Present"
-"Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]indolin-2-yl]-1H-indol-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydroindol-3-yl]acetate","","COC(=O)CC1C(N(C2=CC=CC=C12)C3C(C(C(C(O3)CO)O)O)O)C4=C(C5=CC=CC=C5N4)CC(=O)OC","LFXBWOVEVRYJEL-UHFFFAOYSA-N","392220",NA,"PDBC39018","692353","Present"
-"Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1-[3,4,5-trihydroxy-6-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]indol-2-yl]-1H-indol-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-[3-(2-methoxy-2-oxoethyl)-1-[3,4,5-trihydroxy-6-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]indol-2-yl]-1H-indol-3-yl]acetate","","CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)N3C4=CC=CC=C4C(=C3C5=C(C6=CC=CC=C6N5)CC(=O)OC)CC(=O)OC)O)O)O)OC(=O)C)OC(=O)C)OC(=O)C","HPIMABRTKTZFES-UHFFFAOYSA-N","392221",NA,"PDBC39019","692354","Present"
-"Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1H-indol-2-yl]-1H-indol-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1H-indol-2-yl]-1H-indol-3-yl]acetate","","COC(=O)CC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CC(=O)OC","GYWJQUMLHUUBEH-UHFFFAOYSA-N","390772",NA,"PDBC39020","688535","Present"
-"Methyl 2-[2-[3-(cyclohexen-1-yl)-5-phenyl-pyrazol-1-yl]thiazol-4-yl]-4-(2,6-dichloro-4-nitro-anilino)-3,4-dioxo-butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-[3-(cyclohexen-1-yl)-5-phenylpyrazol-1-yl]-1,3-thiazol-4-yl]-4-(2,6-dichloro-4-nitroanilino)-3,4-dioxobutanoate","","COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CCCCC3)C4=CC=CC=C4)C(=O)C(=O)NC5=C(C=C(C=C5Cl)[N+](=O)[O-])Cl","UIBISCTXYRHCFE-UHFFFAOYSA-N","370941",NA,"PDBC39021","644746","Present"
-"Methyl 2-[2-[3-hydroxy-3-(2-methoxy-2-oxo-ethyl)indol-2-yl]-1H-indol-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-[3-hydroxy-3-(2-methoxy-2-oxo-ethyl)indol-2-yl]-1H-indol-3-yl]acetate","","COC(=O)CC1=C(NC2=CC=CC=C21)C3=NC4=CC=CC=C4C3(CC(=O)OC)O","WBWVDTAYKSZQHO-UHFFFAOYSA-N","392215",NA,"PDBC39022","692348","Present"
-"Methyl 2-[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoylamino]pentanoate","","CC(C)CC(C(=O)OC)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C","BXGALXNBJGDCHK-UHFFFAOYSA-N","381826",NA,"PDBC39023","668898","Present"
-"Methyl 2-[2-oxo-5-phenyl-7-(trifluoromethyl)oxazolo[5,4-b]pyridin-1-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-oxo-5-phenyl-7-(trifluoromethyl)oxazolo[5,4-b]pyridin-1-yl]acetate","","COC(=O)CN1C2=C(N=C(C=C2C(F)(F)F)C3=CC=CC=C3)OC1=O","WBGZGNSCXJSAJN-UHFFFAOYSA-N","394922",NA,"PDBC39024","699023","Present"
-"Methyl 2-[25,26,27-trihydroxy-11,19-bis(2-methoxy-2-oxoethyl)-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Acetic acid, 2,2',2''-[25,26,27-trihydroxy-7,15,23- trim...","","CC1=CC2=C(C(=C1)CN(CC3=CC(=CC(=C3O)CN(CC4=C(C(=CC(=C4)C)CN(C2)CC(=O)OC)O)CC(=O)OC)C)CC(=O)OC)O","FDZLVBBSQQQRQA-UHFFFAOYSA-N","395593",NA,"PDBC39025","700323","Present"
-"Methyl 2-[3-(1,1-dimethoxyethyl)-4-oxoazetidin-2-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[3-(1,1-dimethoxyethyl)-4-oxoazetidin-2-yl]acetate","","CC(C1C(NC1=O)CC(=O)OC)(OC)OC","HBMXNKHTZMNUSH-UHFFFAOYSA-N","373019",NA,"PDBC39026","648846","Present"
-"Methyl 2-[3-(2-methylsulfanyl-2-thioxo-acetyl)-5-propanoyl-phenyl]-2-oxo-ethanedithioate","","","","","","","","","","","","","","","","","","","","Benzene-1,3-bis(ethanedithioic acid), .alpha.,.alpha.'- ...","","CCC(=O)C1=CC(=CC(=C1)C(=O)C(=S)SC)C(=O)C(=S)SC","RHXJKHMQVJWPIB-UHFFFAOYSA-N","387896",NA,"PDBC39027","682127","Present"
-"Methyl 2-[3-[(4-chlorophenyl)carbamoylsulfamoyl]-4-oxo-2-phenyl-chromen-8-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[3-[(4-chlorophenyl)carbamoylsulfamoyl]-4-oxo-2-phenyl-chromen-8-yl]acetate","","COC(=O)CC1=C2C(=CC=C1)C(=O)C(=C(O2)C3=CC=CC=C3)S(=O)(=O)NC(=O)NC4=CC=C(C=C4)Cl","FOPWGLHHUGBPRV-UHFFFAOYSA-N","382412",NA,"PDBC39028","669973","Present"
-"Methyl 2-[3-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]acetate","","","","","","","","","","","","","","","","","","","","Methyl ((3-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoyl)amino)acetate","","COC(=O)CNC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","NZNHOACSXSTUKS-UHFFFAOYSA-N","395274",NA,"PDBC39029","699752","Present"
-"Methyl 2-[3-methoxy-2-[(4-methylphenyl)methyl]-3-oxopropyl]-5-methylbenzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[3-methoxy-2-(4-methylbenzyl)-3-oxopropyl]-5-methylbenzoate","","CC1=CC=C(C=C1)CC(CC2=C(C=C(C=C2)C)C(=O)OC)C(=O)OC","QVAOJWNFWVPXOP-UHFFFAOYSA-N","385640",NA,"PDBC39030","676987","Present"
-"Methyl 2-[33,34,35,36-tetrahydroxy-11,19,27-tris(2-methoxy-2-oxoethyl)-7,15,23,31-tetramethyl-3,11,19,27-tetrazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(32),5,7,9(36),13,15,17(35),21(34),22,24,29(33),30-dodecaen-3-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[33,34,35,36-tetrahydroxy-11,19,27-tris(2-methoxy-2-oxoethyl)-7,15,23,31-tetramethyl-3,11,19,27-tetrazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(32),5,7,9(36),13,15,17(35),21(34),2","","CC1=CC2=C(C(=C1)CN(CC3=CC(=CC(=C3O)CN(CC4=CC(=CC(=C4O)CN(CC5=C(C(=CC(=C5)C)CN(C2)CC(=O)OC)O)CC(=O)OC)C)CC(=O)OC)C)CC(=O)OC)O","DQQGWBUKYBYUJJ-UHFFFAOYSA-N","395595",NA,"PDBC39031","700325","Present"
-"Methyl 2-[4-(2-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[4-(2-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate","","COC(=O)C1=CC=CC=C1C#CC#CC2=CC=CC=C2C(=O)OC","IUYJHPJPPKTVJZ-UHFFFAOYSA-N","379185",NA,"PDBC39032","663593","Present"
-"Methyl 2-[4-(3-thiophen-2-ylquinoxalin-2-yl)oxyphenyl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[4-(3-thiophen-2-ylquinoxalin-2-yl)oxyphenyl]acetate","","COC(=O)CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CS4","UMXXSPIGLAJMPO-UHFFFAOYSA-N","401473",NA,"PDBC39033","715131","Present"
-"Methyl 2-[4-[[5-[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylcarbamoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]phenyl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[4-[[5-[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylcarbamoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]phenyl]acetate","","CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)NC5=CC=C(C=C5)CC(=O)OC","LBYFYEXSMVOOJV-UHFFFAOYSA-N","45028432",NA,"PDBC39034","742846","Present"
-"Methyl 2-[5,6,12,13-tetracyano-9-(2-methoxy-2-oxoethyl)-2,4,7,9,11,14-hexazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[5,6,12,13-tetracyano-9-(2-methoxy-2-oxoethyl)-2,4,7,9,11,14-hexazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl]acetate","","COC(=O)CN1C2=NC(=C(N=C2N(C3=NC(=C(N=C31)C#N)C#N)CC(=O)OC)C#N)C#N","DYAYGEFBXOWEKB-UHFFFAOYSA-N","396370",NA,"PDBC39035","702313","Present"
-"Methyl 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1,10,10-trimethyl-4-oxo-3-oxa-5-aza-4lambda5-phosphatricyclo[5.2.1.02,6]decan-4-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1,10,10-trimethyl-4-oxo-3-oxa-5-aza-4lambda5-phosphatricyclo[5.2.1.02,6]decan-4-yl]acetate","","CC1(C2CCC1(C3C2N(P(=O)(O3)CC(=O)OC)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)C","ULOZRAAEDPZVES-UHFFFAOYSA-N","395326",NA,"PDBC39036","699808","Present"
-"Methyl 2-[5-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[5-bromo-2-[2-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl]thiazole-4-carboxylate","","CC(C)(C)OC(=O)NCCC1=NC(=C(S1)Br)C2=NC(=CS2)C(=O)OC","CLXNTSZJLOGFNQ-UHFFFAOYSA-N","375608",NA,"PDBC39037","655430","Present"
-"Methyl 2-[6-(4-aminobenzoyl)-1,3-benzodioxol-5-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[6-(4-aminobenzoyl)-1,3-benzodioxol-5-yl]acetate","","COC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)N)OCO2","AMBXHLPSHXSSFU-UHFFFAOYSA-N","404212",NA,"PDBC39038","720379","Present"
-"Methyl 2-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-4-nitroso-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-4-nitroso-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)pro","","CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)OC)O)N(C7=CC(=C(C=C47)N=O)OC)C","CHTBCXVHHSLSTN-HLOSGSRESA-N","399523",NA,"PDBC39039","710386","Present"
-"Methyl 2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","Methyl 2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propa","","CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)OC)O)N(C7=CC(=C(C=C47)Br)OC)C.Cl","BAQXZYAEBUGIPV-SOIJWDTQSA-N","54604865",NA,"PDBC39040","714408","Present"
-"Methyl 2-[[(2Z)-2-(tert-butylhydrazono)-3-cyano-3-[4-(4-nitrophenyl)thiazol-2-yl]propanoyl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[(2Z)-2-(tert-butylhydrazinylidene)-3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanoyl]amino]benzoate","","CC(C)(C)NN=C(C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3C(=O)OC","WWHYZLDKKPPSLJ-ANYBSYGZSA-N","9571371",NA,"PDBC39041","649569","Present"
-"Methyl 2-[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]-3-[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]oxypropanoate","","","","","","","","","","","","","","","","","","","","2-[(3,4-Diacetoxycinnamoyl)amino]-3-[(3,4-diacetoxycinnamoyl)oxy]propanoic acid methyl ester","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NC(COC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C","DYNBPLCSQQIQFD-QHKWOANTSA-N","5470673",NA,"PDBC39042","703980","Present"
-"Methyl 2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenyl-propanoate","","COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C=CN=C2[N+](=O)[O-]","VQNUUFHSMPUSHU-UHFFFAOYSA-N","370712",NA,"PDBC39043","644213","Present"
-"Methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methylpentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methylpentanoate","","CC(C)CC(C(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC","XUWBIXSYHNPHLE-UHFFFAOYSA-N","404120",NA,"PDBC39044","720243","Present"
-"Methyl 2-[[2-[(2-acetamido-6-aminohexanoyl)amino]-6-aminohexanoyl]amino]-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[(2-acetamido-6-aminohexanoyl)amino]-6-aminohexanoyl]amino]-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoy","","CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)OC","YNBPYAGOKPYLKH-UHFFFAOYSA-N","11980933",NA,"PDBC39045","686304","Present"
-"Methyl 2-[[2-[[1-[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[1-[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate","","CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl","BJBAWJLQHXAGEL-UHFFFAOYSA-N","402726",NA,"PDBC39046","716914","Present"
-"Methyl 2-[[2-[[2-[[1-[5-(2,4-dichlorophenyl)furan-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[2-[[1-[5-(2,4-dichlorophenyl)furan-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoate","","CCC(C)C(C(=O)OC)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl","IDAVWTCVEQTDRN-UHFFFAOYSA-N","402727",NA,"PDBC39047","716915","Present"
-"Methyl 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate","","CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)OC","WSWCFISTZZYDRQ-UHFFFAOYSA-N","381617",NA,"PDBC39048","668434","Present"
-"Methyl 2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amin","","CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)OC","PIUPTGCHXDJEHM-UHFFFAOYSA-N","16129788",NA,"PDBC39049","668431","Present"
-"Methyl 2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoy","","CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC","WHKDCRGQXMRNCR-UHFFFAOYSA-N","16129895",NA,"PDBC39050","668432","Present"
-"Methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pr","","CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC","BJTSJZBHAYUPCW-UHFFFAOYSA-N","16129789",NA,"PDBC39051","668433","Present"
-"Methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-","","CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC","BEGQRGLNBFOHCH-UHFFFAOYSA-N","16129787",NA,"PDBC39052","668430","Present"
-"Methyl 2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]acetate","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCSC)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)OC","VJDQXFUKNZSIDY-UHFFFAOYSA-N","6712836",NA,"PDBC39053","716693","Present"
-"Methyl 2-[[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]acetyl]amino]-4-methyl-pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]acetyl]amino]pentanoate","","CC(C)CC(C(=O)OC)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C","MZCIOSKIHCYJAP-UHFFFAOYSA-N","381827",NA,"PDBC39054","668899","Present"
-"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-3-phenylpropanoate","","COC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Cl","PLOHWRWTCCVJHZ-UHFFFAOYSA-N","6712768",NA,"PDBC39055","710484","Present"
-"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-4-methylsulfanylbutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-4-methylsulfanylbutanoate","","COC(=O)C(CCSC)NC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","BAAZDHYFOMCJRE-UHFFFAOYSA-N","6712769",NA,"PDBC39056","710485","Present"
-"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]acetate","","","","","","","","","","","","","","","","","","","","methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]acetate","","COC(=O)CNC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","BTZSPDKTAULBHA-UHFFFAOYSA-N","395267",NA,"PDBC39057","699745","Present"
-"Methyl 2-[[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate","","CC(C)CC(C(=O)OC)NC(=O)C(C(C)C)NC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)Cl)Cl","UHLMGGXNZYPXPE-UHFFFAOYSA-N","402725",NA,"PDBC39058","716913","Present"
-"Methyl 2-[[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetate","","COC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl","FORQRZMCKXEMAR-UHFFFAOYSA-N","402724",NA,"PDBC39059","716912","Present"
-"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylbutanoate","","CC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","VOKFDUISDWJPBK-UHFFFAOYSA-N","395272",NA,"PDBC39060","699750","Present"
-"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate","","COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Cl","MLANANLYALZKPQ-UHFFFAOYSA-N","6712770",NA,"PDBC39061","710486","Present"
-"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylsulfanylbutanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylsulfanylbutanoate","","COC(=O)C(CCSC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","MYJBPQMQDCKVOZ-UHFFFAOYSA-N","399597",NA,"PDBC39062","710488","Present"
-"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate","","COC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","VRINYHQOMCMGGP-UHFFFAOYSA-N","395271",NA,"PDBC39063","699749","Present"
-"Methyl 2-[[2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoyl]amino]-2-methyl-propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoyl]amino]-2-methyl-propanoate","","CC(C)(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC2=C3C(=NC=N2)N(C=N3)C4=CC=C(C=C4)OC","WJRGEDIYTKCXBE-UHFFFAOYSA-N","392377",NA,"PDBC39064","692661","Present"
-"Methyl 2-[[2-[bis(2-methoxy-2-oxo-ethyl)amino]cyclohexyl]-[2-[2-(tert-butoxycarbonylamino)ethylamino]-2-oxo-ethyl]amino]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[bis(2-methoxy-2-oxoethyl)amino]cyclohexyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-2-oxoethyl]amino]acetate","","CC(C)(C)OC(=O)NCCNC(=O)CN(CC(=O)OC)C1CCCCC1N(CC(=O)OC)CC(=O)OC","FTWMIEQHPHJYLO-UHFFFAOYSA-N","384577",NA,"PDBC39065","674591","Present"
-"Methyl 2-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoate","","","","","","","","","","","","","","","","","","","","L-Leucine, N-[O-(phenylmethyl)-L-tyrosyl]-, methyl ester...","","CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N","CGPNWVMBMDTTMA-UHFFFAOYSA-N","424834",NA,"PDBC39066","168670","Present"
-"Methyl 2-[[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetyl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(((2-isonicotinoylhydrazino)(oxo)acetyl)amino)benzoate","","COC(=O)C1=CC=CC=C1NC(=O)C(=O)NNC(=O)C2=CC=NC=C2","SIFIASVMCYKANM-UHFFFAOYSA-N","372001",NA,"PDBC39067","646817","Present"
-"Methyl 2-[[3-(3-nitroanilino)-2,3-dioxo-propyl]sulfonylmethyl]-4-oxo-pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[({3-[(3-nitrophenyl)amino]-2,3-dioxopropyl}sulfonyl)methyl]-4-oxopentanoate","","CC(=O)CC(CS(=O)(=O)CC(=O)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC","RWZKBLVYKXKTOO-UHFFFAOYSA-N","369551",NA,"PDBC39068","641412","Present"
-"Methyl 2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]acetate","","CN(C1=NC(=NC(=N1)NCC(=O)OC)N(C)O)O","KAUQRWOUOJGTFF-UHFFFAOYSA-N","45029484",NA,"PDBC39069","746930","Present"
-"Methyl 2-[[4-[(5Z,10Z,14Z,19Z)-10,15,20-tris[4-[(2-methoxy-2-oxo-ethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]sulfonylamino]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[4-[10,15,20-tris[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]sulfonylamino]acetate","","COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)NCC(=O)OC)C8=CC=C(C=C8)S(=O)(=O)NCC(=O)OC)C=C4)C9=CC=C(C=C9)S(=O)(=O)NCC(=O)OC)N3","RXFLQYVYXLPLLO-UHFFFAOYSA-N","135489823",NA,"PDBC39070","681460","Present"
-"Methyl 2-[[4-[[[3-[(benzylcarbamothioylamino)methyl]phenyl]methylcarbamothioylamino]methyl]benzoyl]amino]-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[4-[[[3-[(benzylcarbamothioylamino)methyl]phenyl]methylcarbamothioylamino]methyl]benzoyl]amino]-3-phenylpropanoate","","COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=S)NCC3=CC=CC(=C3)CNC(=S)NCC4=CC=CC=C4","JIERMWPONQONIW-UHFFFAOYSA-N","3005310",NA,"PDBC39071","690011","Present"
-"Methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-tritylsulfanylpropanoate","","","","","","","","","","","","","","","","","","","","L-Cysteine, N-[N(2)-[(phenylmethoxy)carbonyl]-L-asparagi...","","COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)OCC4=CC=CC=C4","KQGBXQVGWHWPME-UHFFFAOYSA-N","327490",NA,"PDBC39072","302664","Present"
-"Methyl 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate","","COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl","VGHWLVAWSHJKTL-UHFFFAOYSA-N","402723",NA,"PDBC39073","716911","Present"
-"Methyl 2-[[5-benzyloxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]-6-(benzyloxycarbonylamino)hexanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate","","CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC","NIHZEUAXHNXVNY-UHFFFAOYSA-N","382356",NA,"PDBC39074","669826","Present"
-"Methyl 2-[[6-(4-hydroxy-2-oxo-chromen-3-yl)-2,4-dioxo-6-phenyl-hexanoyl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[6-(4-hydroxy-2-oxo-chromen-3-yl)-2,4-dioxo-6-phenyl-hexanoyl]amino]benzoate","","COC(=O)C1=CC=CC=C1NC(=O)C(=O)CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","HLWSVCPTGYDDBK-UHFFFAOYSA-N","54677091",NA,"PDBC39075","647087","Present"
-"Methyl 2-acetamido-3-[1-[1-[3-(2-acetamido-3-methoxy-3-oxo-propyl)indol-1-yl]ethyl]indol-3-yl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-acetamido-3-[1-[1-[3-(2-acetamido-3-methoxy-3-oxopropyl)indol-1-yl]ethyl]indol-3-yl]propanoate","","CC(N1C=C(C2=CC=CC=C21)CC(C(=O)OC)NC(=O)C)N3C=C(C4=CC=CC=C43)CC(C(=O)OC)NC(=O)C","KRFVEJJAWWKVPD-UHFFFAOYSA-N","392239",NA,"PDBC39076","692372","Present"
-"Methyl 2-acetamido-3-[2-[3-(2-acetamido-3-methoxy-3-oxo-propyl)-1h-indol-2-yl]-1h-indol-3-yl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-acetamido-3-[2-[3-(2-acetamido-3-methoxy-3-oxopropyl)-1H-indol-2-yl]-1H-indol-3-yl]propanoate","","CC(=O)NC(CC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CC(C(=O)OC)NC(=O)C)C(=O)OC","VUINVNYAWNOGJG-UHFFFAOYSA-N","392209",NA,"PDBC39077","692342","Present"
-"Methyl 2-acetamido-3-[2-[3-(2-acetamido-3-methoxy-3-oxo-propyl)indolin-2-yl]-1H-indol-3-yl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-acetamido-3-[2-[3-(2-acetamido-3-methoxy-3-oxopropyl)-1H-indol-2-yl]-2,3-dihydro-1H-indol-3-yl]propanoate","","CC(=O)NC(CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CC(C(=O)OC)NC(=O)C)C(=O)OC","RBUVMSBPJUMUHG-UHFFFAOYSA-N","392237",NA,"PDBC39078","692370","Present"
-"Methyl 2-acetamido-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid","","","","","","","","","","","","","","","","","","","","Methyl 2-acetamido-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-t","","CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.CC(=O)NC(CCCCN)C(=O)OC","WIIWOVFEVYYDKI-UHFFFAOYSA-N","11980934",NA,"PDBC39079","686305","Present"
-"Methyl 2-acetyl-5-(2-phenyl-1,3-dioxolan-2-yl)pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-acetyl-5-(2-phenyl-1,3-dioxolan-2-yl)pentanoate","","CC(=O)C(CCCC1(OCCO1)C2=CC=CC=C2)C(=O)OC","HUBUSXFKKSCIAR-UHFFFAOYSA-N","373312",NA,"PDBC39080","649458","Present"
-"Methyl 2-acetyl-6-(allyloxy)hexanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-acetyl-6-(allyloxy)hexanoate","","CC(=O)C(CCCCOCC=C)C(=O)OC","LQRAQSLICHLSBO-UHFFFAOYSA-N","373321",NA,"PDBC39081","649465","Present"
-"Methyl 2-acetyloxy-5-benzyl-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(acetyloxy)-5-benzyl-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","CC(=O)OC1=C(C2=C(C=C1)N(C3=C2C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5)C(=O)OC","YAGUWVJPVWWJDJ-UHFFFAOYSA-N","404316",NA,"PDBC39082","720498","Present"
-"Methyl 2-acetyloxy-5-methyl-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-(acetyloxy)-5-methyl-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","CC(=O)OC1=C(C2=C(C=C1)N(C3=C2C(=O)C4=CC=CC=C4C3=O)C)C(=O)OC","VMJOJQRDSMBNTK-UHFFFAOYSA-N","404311",NA,"PDBC39083","720493","Present"
-"Methyl 2-allyl-3-hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-allyl-3-hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylate","","CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1C(=O)OC)C(C2O)CC=C","YIBLHUPWAMRDEZ-UHFFFAOYSA-N","393379",NA,"PDBC39084","695212","Present"
-"Methyl 2-amino-2-deoxy-alpha-D-arabinofuranoside","","","","","","","","","","","","","","","","","","","","Methyl 2-amino-2-deoxy-.alpha.-D-arabinofuranoside","","COC1C(C(C(O1)CO)O)N","XHDMMHGPVFQYSU-UHFFFAOYSA-N","362355",NA,"PDBC39085","626100","Present"
-"Methyl 2-amino-5-[5-(2-amino-4-hydroxy-6-methoxycarbonyl-pyrimidin-5-yl)pentyl]-6-hydroxy-pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-amino-5-[5-(2-amino-4-methoxycarbonyl-6-oxo-1H-pyrimidin-5-yl)pentyl]-6-oxo-1H-pyrimidine-4-carboxylate","","COC(=O)C1=C(C(=O)NC(=N1)N)CCCCCC2=C(N=C(NC2=O)N)C(=O)OC","OAHZWUGPCQFNLZ-UHFFFAOYSA-N","135406419",NA,"PDBC39086","635138","Present"
-"Methyl 2-amino-5-cyano-4,4-dimethoxy-3'-methyl-5'-oxo-1'-phenylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1-carboximidate","","","","","","","","","","","","","","","","","","","","Methyl 2-amino-5-cyano-4,4-dimethoxy-3'-methyl-5'-oxo-1'-phenylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1-carboximidate","","CC1=NN(C(=O)C12C3(C2(C(=NC3(OC)OC)N)C(=N)OC)C#N)C4=CC=CC=C4","YEPKROLUGXJIOG-UHFFFAOYSA-N","395676",NA,"PDBC39087","700458","Present"
-"Methyl 2-benzamido-1-hydroxy-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 7-(benzoylamino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate","","CC1=C(C2(CCOC2=O)C(N1NC(=O)C3=CC=CC=C3)(C)O)C(=O)OC","VZSAHIHZJOKJCJ-UHFFFAOYSA-N","364556",NA,"PDBC39088","630976","Present"
-"Methyl 2-benzamido-2-(3-iodo-4-methoxyphenyl)acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzamido-2-(3-iodo-4-methoxyphenyl)acetate","","COC1=C(C=C(C=C1)C(C(=O)OC)NC(=O)C2=CC=CC=C2)I","KZGNVWOLJFURSX-UHFFFAOYSA-N","11281716",NA,"PDBC39089","736059","Present"
-"Methyl 2-benzamido-2-dimethoxyphosphoryl-3-(3,4,5-trimethoxyphenyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzamido-2-dimethoxyphosphoryl-3-(3,4,5-trimethoxyphenyl)propanoate","","COC1=CC(=CC(=C1OC)OC)CC(C(=O)OC)(NC(=O)C2=CC=CC=C2)P(=O)(OC)OC","GNYIUMVGFLUOIK-UHFFFAOYSA-N","369436",NA,"PDBC39090","641206","Present"
-"Methyl 2-benzamido-2-dimethoxyphosphoryl-3-(4-dimethylaminophenyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzamido-2-dimethoxyphosphoryl-3-(4-dimethylaminophenyl)propanoate","","CN(C)C1=CC=C(C=C1)CC(C(=O)OC)(NC(=O)C2=CC=CC=C2)P(=O)(OC)OC","PFGHEIHYEJBJIM-UHFFFAOYSA-N","369437",NA,"PDBC39091","641207","Present"
-"Methyl 2-benzamido-3-dimethoxyphosphoryl-3-(2,4,6-trihydroxyphenyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzamido-3-dimethoxyphosphoryl-3-(2,4,6-trihydroxyphenyl)propanoate","","COC(=O)C(C(C1=C(C=C(C=C1O)O)O)P(=O)(OC)OC)NC(=O)C2=CC=CC=C2","DPXHLJYLCMEQPX-UHFFFAOYSA-N","369439",NA,"PDBC39092","641209","Present"
-"Methyl 2-benzoyl-5-(2,4-dimethoxyanilino)-3-((4-methylphenyl)(oxo)acetyl)-4,5-dioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzoyl-5-(2,4-dimethoxyanilino)-3-((4-methylphenyl)(oxo)acetyl)-4,5-dioxopentanoate","","CC1=CC=C(C=C1)C(=O)C(=O)C(C(C(=O)C2=CC=CC=C2)C(=O)OC)C(=O)C(=O)NC3=C(C=C(C=C3)OC)OC","QPGQKXWKGBTCRS-UHFFFAOYSA-N","369812",NA,"PDBC39093","642006","Present"
-"Methyl 2-benzoyloxy-5-[1-(4-benzoyloxy-3-chloro-5-methoxycarbonylphenyl)-4-[(3S,10S,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chlorobenzoate","","","","","","","","","","","","","","","","","","","","(5.alpha.)-3.beta.-[4,4-Di(4'-benzoyloxy-5'-chloro-3'- m...","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)OC(=O)C6=CC=CC=C6)C(=O)OC)C7=CC(=C(C(=C7)Cl)OC(=O)C8=CC=CC=C8)C(=O)OC)C)C","GMFMFYAEICMMBT-XOFQLRNQSA-N","6712228",NA,"PDBC39094","661404","Present"
-"Methyl 2-benzyl-1-(1-methoxycarbonylbut-3-enyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-1-(1-methoxycarbonylbut-3-enyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate","","COC(=O)C(CC=C)C1(C2=C(CCN1CC3=CC=CC=C3)C4=CC=CC=C4N2)C(=O)OC","AQSCCDQPRYKVOE-UHFFFAOYSA-N","372204",NA,"PDBC39095","647155","Present"
-"Methyl 2-benzyl-1-(2-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-1-(2-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate","","COC(=O)C1CC2=C(C(N1CC3=CC=CC=C3)C4=CC=CC=C4O)NC5=CC=CC=C25","KAHZOTCOQHMRTH-UHFFFAOYSA-N","363929",NA,"PDBC39096","629417","Present"
-"Methyl 2-benzyl-1-hydroxy-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-1-hydroxy-2-indanecarboxylate","","COC(=O)C1(CC2=CC=CC=C2C1O)CC3=CC=CC=C3","OAABOBLLGUGNRU-UHFFFAOYSA-N","385706",NA,"PDBC39097","677052","Present"
-"Methyl 2-benzyl-1-hydroxy-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-1-hydroxy-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate","","COC(=O)C1(CC2=C(C1O)C=C3CCCC3=C2)CC4=CC=CC=C4","XJJSHDYELSHBIX-UHFFFAOYSA-N","385702",NA,"PDBC39098","677048","Present"
-"Methyl 2-benzyl-1-oxo-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-1-oxo-2-indanecarboxylate","","COC(=O)C1(CC2=CC=CC=C2C1=O)CC3=CC=CC=C3","NJVFUUYNNGIIIU-UHFFFAOYSA-N","382678",NA,"PDBC39099","670326","Present"
-"Methyl 2-benzyl-1-oxo-3,6,7,8-tetrahydro-2H-as-indacene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-1-oxo-3,6,7,8-tetrahydro-2H-as-indacene-4-carboxylate","","COC(=O)C1=C2CC(C(=O)C2=C3CCCC3=C1)CC4=CC=CC=C4","BGIWYCNHIMSKGG-UHFFFAOYSA-N","385723",NA,"PDBC39100","677069","Present"
-"Methyl 2-benzyl-1-oxo-3,6,7,8-tetrahydro-as-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-1-oxo-3,6,7,8-tetrahydro-as-indacene-2-carboxylate","","COC(=O)C1(CC2=C(C1=O)C3=C(CCC3)C=C2)CC4=CC=CC=C4","ZNFPTZOXJLITJK-UHFFFAOYSA-N","385703",NA,"PDBC39101","677049","Present"
-"Methyl 2-benzyl-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate","","COC(=O)C1(CC2=C(C1)C=C3CCCC3=C2)CC4=CC=CC=C4","NMOYXNNXXABMOR-UHFFFAOYSA-N","384724",NA,"PDBC39102","674960","Present"
-"Methyl 2-benzyl-3-[[2-benzyloxy-1-(benzyloxycarbonylaminomethyl)-2-oxo-ethyl]amino]-3-oxo-propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-3-[[2-benzyloxy-1-(benzyloxycarbonylaminomethyl)-2-oxo-ethyl]amino]-3-oxo-propanoate","","COC(=O)C(CC1=CC=CC=C1)C(=O)NC(CNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","RXSAOJNBTFTUAJ-UHFFFAOYSA-N","381438",NA,"PDBC39103","668026","Present"
-"Methyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate","","COC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC=CC=C4","BJPDQRNMKBWSCQ-UHFFFAOYSA-N","384723",NA,"PDBC39104","674959","Present"
-"Methyl 2-benzyl-4,7-dimethyl-1-oxo-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzyl-4,7-dimethyl-1-oxo-2-indanecarboxylate","","CC1=C2CC(C(=O)C2=C(C=C1)C)(CC3=CC=CC=C3)C(=O)OC","LPZPSVOHIIQMJG-UHFFFAOYSA-N","385722",NA,"PDBC39105","677068","Present"
-"Methyl 2-chloro-2-cyclopropylideneacetate","","","","","","","","","","","","","","","","","","","","C6H7ClO2","","COC(=O)C(=C1CC1)Cl","JHISBEHOSHGCCJ-UHFFFAOYSA-N","370750",NA,"PDBC39106","644273","Present"
-"Methyl 2-chloro-3,5-dinitrobenzoate","","","","","","","","","","","","","","","","","","","","ALBB-023208","","COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])Cl","RJQRHZYXGHSNKQ-UHFFFAOYSA-N","248909",NA,"PDBC39107","66543","Present"
-"Methyl 2-chloro-4-mercapto-5-(((6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)amino)sulfonyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-chloro-5-[(6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-4-sulfanylbenzoate","","CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)OC)Cl)S","NBHVMNLGAWTPCQ-UHFFFAOYSA-N","397047",NA,"PDBC39108","704329","Present"
-"Methyl 2-cyano-2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-N-phenylethanimidothioate","","","","","","","","","","","","","","","","","","","","Methyl 2-cyano-2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-N-phenylethanimidothioate","","COC1=CC(=C(C#N)C(=NC2=CC=CC=C2)SC)C=C(C1=O)OC","OBXUWOAVEVYOND-UHFFFAOYSA-N","360633",NA,"PDBC39109","622939","Present"
-"Methyl 2-cyclohexylidenehydrazinecarbodithioate","","","","","","","","","","","","","","","","","","","","C8H14N2S2","","CSC(=S)NN=C1CCCCC1","SXFQFCCHISQZPU-UHFFFAOYSA-N","2830668",NA,"PDBC39110","269210","Present"
-"Methyl 2-deoxy-3-O-methylhexopyranoside","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-4,6-dimethoxy-tetrahydropyran-3-ol","","COC1CC(OC(C1O)CO)OC","XHVNRGJOROHFHV-UHFFFAOYSA-N","360951",NA,"PDBC39111","623667","Present"
-"Methyl 2-diazo-3-oxo-6-prop-2-enoxyhexanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-diazo-3-oxo-6-prop-2-enoxyhexanoate","","COC(=O)C(=[N+]=[N-])C(=O)CCCOCC=C","YEDYFQJZDOYEBP-UHFFFAOYSA-N","76170887",NA,"PDBC39112","649462","Present"
-"Methyl 2-diazo-4-(2-methyl-1,3-dioxolan-2-yl)butanoate","","","","","","","","","","","","","","","","","","","","2-Diazonio-1-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)but-1-en-1-olate","","CC1(OCCO1)CCC(=[N+]=[N-])C(=O)OC","LZOOLWHYJNIJLN-UHFFFAOYSA-N","373316",NA,"PDBC39113","649461","Present"
-"Methyl 2-diethoxyphosphoryl-4-(3-nitroanilino)-3,4-dioxo-butanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-(diethoxyphosphoryl)-4-[(3-nitrophenyl)amino]-3,4-dioxobutanoate","","CCOP(=O)(C(C(=O)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC)OCC","FFYMTZRIQKPLPP-UHFFFAOYSA-N","369847",NA,"PDBC39114","642044","Present"
-"Methyl 2-dimethoxyphosphoryl-2-hydroxyacetate","","","","","","","","","","","","","","","","","","","","Methyl 2-dimethoxyphosphoryl-2-hydroxyacetate","","COC(=O)C(O)P(=O)(OC)OC","OOEKGZQFBSHTCY-UHFFFAOYSA-N","397381",NA,"PDBC39115","705125","Present"
-"Methyl 2-ethyl-4-oxo-3-azetidinylcarbamate","","","","","","","","","","","","","","","","","","","","Methyl 2-ethyl-4-oxo-3-azetidinylcarbamate","","CCC1C(C(=O)N1)NC(=O)OC","TWRBMGLPGOSZEA-UHFFFAOYSA-N","496458",NA,"PDBC39116","689618","Present"
-"Methyl 2-ethyl-5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-ethyl-5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate","","CCC1(CCC2=C(C=CC(=C2C1=O)OC)OC)C(=O)OC","PBMBFPAROIJKFG-UHFFFAOYSA-N","361675",NA,"PDBC39117","624893","Present"
-"Methyl 2-ethynylbenzoate","","","","","","","","","","","","","","","","","","","","AK-64821","","COC(=O)C1=CC=CC=C1C#C","LBMDZNOARBBHHG-UHFFFAOYSA-N","373287",NA,"PDBC39118","649436","Present"
-"Methyl 2-formyl-3-(phenylthio)acrylate","","","","","","","","","","","","","","","","","","","","Methyl 2-formyl-3-(phenylthio)acrylate","","COC(=O)C(=CSC1=CC=CC=C1)C=O","WAHXLKAXQSQBPR-CMDGGOBGSA-N","5386769",NA,"PDBC39119","617610","Present"
-"Methyl 2-formylbicyclo[2.2.1]hepta-2,5-diene-3-carboxylate","","","","","","","","","","","","","","","","","","","","2,5-norbornadiene-2-carboxylic acid, 3-formyl-, methylester","","COC(=O)C1=C(C2CC1C=C2)C=O","ZQNWPPICEXPFHS-UHFFFAOYSA-N","361733",NA,"PDBC39120","624975","Present"
-"Methyl 2-hydrazino-5-{5-[6-hydrazino-4-hydroxy-2-(methoxycarbonyl)pyridin-3-yl]pentyl}-6-hydroxypyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydrazinyl-5-[5-(6-hydrazinyl-2-methoxycarbonyl-4-oxo-1H-pyridin-3-yl)pentyl]-6-oxo-1H-pyrimidine-4-carboxylate","","COC(=O)C1=C(C(=O)C=C(N1)NN)CCCCCC2=C(N=C(NC2=O)NN)C(=O)OC","HBBHAWLUUVGSTL-UHFFFAOYSA-N","135483932",NA,"PDBC39121","635116","Present"
-"Methyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3-carboxylate","","COC(=O)C1=CC(=O)OC1(C2=CC=CC=C2)OO","BCILQSGYQQGGLU-UHFFFAOYSA-N","391991",NA,"PDBC39122","691780","Present"
-"Methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-azulen-1-yl)methyl]azulene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-azulen-1-yl)methyl]azulene-1-carboxylate","","COC(=O)C1=C2C=CC=CC=C2C(=C1O)CC3=C(C(=C4C3=CC=CC=C4)C(=O)OC)O","FRRBYHRUKQHQRQ-UHFFFAOYSA-N","374631",NA,"PDBC39123","652606","Present"
-"Methyl 2-hydroxy-5-(4-methoxyphenyl)-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-5-(4-methoxyphenyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC","APNKOQNTYRJXTL-UHFFFAOYSA-N","404190",NA,"PDBC39124","720341","Present"
-"Methyl 2-hydroxy-5-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-5-(2-methoxybenzyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC1=CC=CC=C1CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC","YVKQDTLXUXEOEW-UHFFFAOYSA-N","404187",NA,"PDBC39125","720338","Present"
-"Methyl 2-hydroxy-5-[(2-methoxyphenyl)methyl]-6-oxo-11H-benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-5-(2-methoxybenzyl)-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC1=CC=CC=C1CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC","QOWZSRGGWCUNEN-UHFFFAOYSA-N","403872",NA,"PDBC39126","719405","Present"
-"Methyl 2-hydroxy-5-[(3-methylphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-5-(3-methylbenzyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","CC1=CC(=CC=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC","UPTJZMGDBQKVTE-UHFFFAOYSA-N","404188",NA,"PDBC39127","720339","Present"
-"Methyl 2-hydroxy-5-[(3-methylphenyl)methyl]-6-oxo-11H-benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-5-(3-methylbenzyl)-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","CC1=CC(=CC=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC","YBRDZPRULOIWFQ-UHFFFAOYSA-N","403873",NA,"PDBC39128","719406","Present"
-"Methyl 2-hydroxy-5-[(4-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-5-(4-methoxybenzyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC1=CC=C(C=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC","XQCXUOLFHSZVMY-UHFFFAOYSA-N","404193",NA,"PDBC39129","720344","Present"
-"Methyl 2-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-11H-benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-5-(4-methoxybenzyl)-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC1=CC=C(C=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC","PQCGQMNQQMTGRY-UHFFFAOYSA-N","403877",NA,"PDBC39130","719410","Present"
-"Methyl 2-hydroxy-5-methyl-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-5-methyl-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","CN1C2=C(C3=C1C(=O)C4=CC=CC=C4C3=O)C(=C(C=C2)O)C(=O)OC","VCJIBONNXGZBJQ-UHFFFAOYSA-N","404185",NA,"PDBC39131","720336","Present"
-"Methyl 2-hydroxy-6,11-dioxo-5-(2-phenylethyl)benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-6,11-dioxo-5-(2-phenylethyl)-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)O","JSXOGZUQZKVLMN-UHFFFAOYSA-N","404184",NA,"PDBC39132","720335","Present"
-"Methyl 2-hydroxy-6,11-dioxo-5-(pyridin-2-ylmethyl)benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-6,11-dioxo-5-(pyridin-2-ylmethyl)benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=N4)C(=O)C5=CC=CC=C5C3=O)O","XHDGNCQNMUVVNP-UHFFFAOYSA-N","404479",NA,"PDBC39133","720715","Present"
-"Methyl 2-hydroxy-6-(2-methoxycarbonyl-3-oxocycloheptyl)cyclohepta-1,6-diene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-6-(2-methoxycarbonyl-3-oxocycloheptyl)cyclohepta-1,6-diene-1-carboxylate","","COC(=O)C1C(CCCCC1=O)C2=CC(=C(CCC2)O)C(=O)OC","DNCPMBDRNMUOMB-UHFFFAOYSA-N","54685704",NA,"PDBC39134","706134","Present"
-"Methyl 2-hydroxy-6-oxo-5-(2-phenylethyl)-11H-benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-6-oxo-5-(2-phenylethyl)-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3)O","NGGYYXRSEWXKHX-UHFFFAOYSA-N","403870",NA,"PDBC39135","719403","Present"
-"Methyl 2-hydroxy-6-oxo-5-(pyridin-2-ylmethyl)-11H-benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-hydroxy-6-oxo-5-(pyridin-2-ylmethyl)-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=N4)C(=O)C5=CC=CC=C5C3)O","WDDWNDZVPXIOJP-UHFFFAOYSA-N","403875",NA,"PDBC39136","719408","Present"
-"Methyl 2-isopropyl-5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-isopropyl-5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate","","CC(C)C1(CCC2=C(C=CC(=C2C1=O)OC)OC)C(=O)OC","CIQYNBXONJQVIW-UHFFFAOYSA-N","361672",NA,"PDBC39137","624890","Present"
-"Methyl 2-isoquinolin-2-ium-2-yl-2-[(5Z)-5-(2-methoxy-2-oxo-ethylidene)-4-oxo-thiazol-2-yl]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-isoquinolin-2-ium-2-yl-2-[(5Z)-5-(2-methoxy-2-oxo-ethylidene)-4-oxo-thiazol-2-yl]acetate","","","","",NA,"PDBC39138","686657","Present"
-"Methyl 2-methyl-1,3-dioxooctahydropyrrolo[1,2-c]pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-1,3-dioxooctahydropyrrolo[1,2-c]pyrimidine-4-carboxylate","","CN1C(=O)C(C2CCCN2C1=O)C(=O)OC","QSMPDBDYSZQXAG-UHFFFAOYSA-N","395092",NA,"PDBC39139","699384","Present"
-"Methyl 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate","","CC1=C(C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N1NC(=O)OC(C)(C)C)C(=O)OC","HFQUFWALLLSPLB-UHFFFAOYSA-N","365762",NA,"PDBC39140","633792","Present"
-"Methyl 2-methyl-1-oxo-3,4-dihydrophenanthrene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-1-oxo-3,4-dihydrophenanthrene-2-carboxylate","","CC1(CCC2=C(C1=O)C=CC3=CC=CC=C23)C(=O)OC","ILMFCMIMBMTSIG-UHFFFAOYSA-N","345802",NA,"PDBC39141","403583","Present"
-"Methyl 2-methyl-5-[(2-nitrophenyl)sulfinylmethyl]-3-phenyl-3H-isoxazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-5-{[(2-nitrophenyl)sulfinyl]methyl}-3-phenyl-2,3-dihydro-1,2-oxazole-4-carboxylate","","CN1C(C(=C(O1)CS(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3","BOHJGMFFFQLPIO-UHFFFAOYSA-N","361734",NA,"PDBC39142","624976","Present"
-"Methyl 2-methyl-5-oxo-4-(3-phenyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","4-(3'-Phenylpyrazolyl-4')-2-methyl-3-methoxycarbonyl-5-o...","","CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=C(NN=C4)C5=CC=CC=C5)C(=O)OC","ITVVVACRPNXASA-UHFFFAOYSA-N","393573",NA,"PDBC39143","695642","Present"
-"Methyl 2-methyl-6-((4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-6-((4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate","","CC1=C2CC(C(=O)C2=CC=C1)CC3=CC=CC(=C3C(=O)OC)C","ZRYSMRATPQWEPM-UHFFFAOYSA-N","386192",NA,"PDBC39144","677814","Present"
-"Methyl 2-methyl-6-[(Z)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl-6-[(Z)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoate","","CC1=C2CC(=CC3=CC=CC(=C3C(=O)OC)C)C(=O)C2=CC=C1","XRUQKUFFWLJHLG-GDNBJRDFSA-N","6477493",NA,"PDBC39145","677055","Present"
-"Methyl 2-methyl[1,2]benzoxathiino[4,3-b]pyridine-3-carboxylate 5,5-dioxide","","","","","","","","","","","","","","","","","","","","Methyl 2-methyl[1,2]benzoxathiino[4,3-b]pyridine-3-carboxylate 5,5-dioxide","","CC1=NC2=C(C=C1C(=O)OC)S(=O)(=O)OC3=CC=CC=C32","DKPJQYKUOOFOJB-UHFFFAOYSA-N","362765",NA,"PDBC39146","627043","Present"
-"Methyl 2-methylsulfanyltricyclo[4.3.0.03,7]nonane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-methylsulfanyltricyclo[4.3.0.03,7]nonane-2-carboxylate","","COC(=O)C1(C2CCC3C2CCC31)SC","ORNIXINUVFVRML-UHFFFAOYSA-N","384344",NA,"PDBC39147","674035","Present"
-"Methyl 2-oxo-1,3,3a,4,5,6,7,7a-octahydroindene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-oxo-1,3,3a,4,5,6,7,7a-octahydroindene-1-carboxylate","","COC(=O)C1C2CCCCC2CC1=O","IPTBOELSAGVARS-UHFFFAOYSA-N","359513",NA,"PDBC39148","620496","Present"
-"Methyl 2-oxo-2H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-oxo-2H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-4-carboxylate","","COC(=O)C1=CC(=O)N=C2N1C3=CC=CC=CC3=C2","PNQDTUYGPGHAHL-UHFFFAOYSA-N","363756",NA,"PDBC39149","628948","Present"
-"Methyl 2-oxo-7-(pentanoylamino)-1H-1,8-naphthyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-oxo-7-(pentanoylamino)-1H-1,8-naphthyridine-3-carboxylate","","CCCCC(=O)NC1=NC2=C(C=C1)C=C(C(=O)N2)C(=O)OC","XRQVDDPIZWRPIM-UHFFFAOYSA-N","5470380",NA,"PDBC39150","700521","Present"
-"Methyl 2-phenylsulfinylacetate","","","","","","","","","","","","","","","","","","","","GNF-Pf-1921","","COC(=O)CS(=O)C1=CC=CC=C1","JPPXZUDQIXZLIL-UHFFFAOYSA-N","84191",NA,"PDBC39151","620050","Present"
-"Methyl 2-{[2-oxo-3-(3,7,12-trioxo-3,4,7,12-tetrahydronaphtho[2,3-f]quinoxalin-2-yl)propanoyl]amino}benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[3-(3-hydroxy-7,12-dioxo-naphtho[2,3-h]quinoxalin-2-yl)-2-oxo-propanoyl]amino]benzoate","","COC(=O)C1=CC=CC=C1NC(=O)C(=O)CC2=NC3=C(C=CC4=C3C(=O)C5=CC=CC=C5C4=O)NC2=O","NHSDDHZOMHNLQN-UHFFFAOYSA-N","369543",NA,"PDBC39152","641404","Present"
-"Methyl 2-{[3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-methoxy-2,4,5-trioxopentanoyl]amino}benzoate","","","","","","","","","","","","","","","","","","","","Methyl 2-{[3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-methoxy-2,4,5-trioxopentanoyl]amino}benzoate","","COC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC","WXEKURFGFTYXMX-UHFFFAOYSA-N","372897",NA,"PDBC39153","648609","Present"
-"Methyl 21-acetamido-14,17,20-trioxo-3,13,16,19,30-pentazapentacyclo[21.7.0.02,10.04,9.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-12-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 21-acetamido-14,17,20-trioxo-3,13,16,19,30-pentazapentacyclo[21.7.0.02,10.04,9.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-12-carboxylate","","CC(=O)NC1CC2=C(C3=C(CC(NC(=O)CNC(=O)CNC1=O)C(=O)OC)C4=CC=CC=C4N3)NC5=CC=CC=C25","USZAAVFAAQGNLS-UHFFFAOYSA-N","392212",NA,"PDBC39154","692345","Present"
-"Methyl 3,3-bis(2-hydroxyethylsulfanyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3,3-bis(2-hydroxyethylsulfanyl)propanoate","","COC(=O)CC(SCCO)SCCO","QURABVQVDMCDQE-UHFFFAOYSA-N","383764",NA,"PDBC39155","672206","Present"
-"Methyl 3,3-difluoro-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3,3-difluoro-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate","","CC1(C2CCC1(C(=O)C2(F)F)C(=O)OC)C","WXASKDCRCVAPLV-UHFFFAOYSA-N","395362",NA,"PDBC39156","699844","Present"
-"Methyl 3,3a-diacetyl-2-hydroxy-2,5,6a-trimethyl-3,6-dihydrofuro[2,3-b]pyrrole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3,3a-diacetyl-2-hydroxy-2,5,6a-trimethyl-3,6-dihydrofuro[2,3-b]pyrrole-4-carboxylate","","CC1=C(C2(C(C(OC2(N1)C)(C)O)C(=O)C)C(=O)C)C(=O)OC","GUXWHVKCXPPRLQ-UHFFFAOYSA-N","6712659",NA,"PDBC39157","704821","Present"
-"Methyl 3,4,5-trihydroxy-2-[(2R)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-6-(2,3,4-trihydroxy-6-methoxycarbonylphenyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 3,4,5-trihydroxy-2-[(2R)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-6-(2,3,4-trihydroxy-6-methoxycarbonylphenyl)benzoate","","COC(=O)C1=CC(=C(C(=C1C2=C(C(=C(C(=C2O)O)O)SCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C(=O)OC)O)O)O","KXSJHWCCLCPZQW-FQEVSTJZSA-N","397481",NA,"PDBC39158","705340","Present"
-"Methyl 3,4,5-trimethoxycinnamate","","","","","","","","","","","","","","","","","","","","bmse010223","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC","KLXHCGFNNUQTEY-AATRIKPKSA-N","735846",NA,"PDBC39159","648088","Present"
-"Methyl 3,4-di-O-benzoyl-2,6-dideoxyhexopyranoside","","","","","","","","","","","","","","","","","","","","NSC287055","","CC1C(C(CC(O1)OC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3","POHNKSHNRFOJER-UHFFFAOYSA-N","322259",NA,"PDBC39160","287055","Present"
-"Methyl 3,4-dichloro-5-nitro-2-furoate","","","","","","","","","","","","","","","","","","","","2-Methoxycarbonyl-3,4-dichloro-5-nitrofuran","","COC(=O)C1=C(C(=C(O1)[N+](=O)[O-])Cl)Cl","AUKVSIJCWIMUMD-UHFFFAOYSA-N","147711",NA,"PDBC39161","616362","Present"
-"Methyl 3,4-dioxo-2-(2-oxoethyl)-4-(3-(trifluoromethyl)anilino)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 3,4-dioxo-2-(2-oxoethyl)-4-(3-(trifluoromethyl)anilino)butanoate","","COC(=O)C(CC=O)C(=O)C(=O)NC1=CC=CC(=C1)C(F)(F)F","NUJKHJFBLNWMAZ-UHFFFAOYSA-N","366317",NA,"PDBC39162","634666","Present"
-"Methyl 3,4-diphenyl-3H-diazete-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3,4-diphenyl-3H-diazete-2-carboxylate","","COC(=O)N1C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3","RMUOQWVSSUOLKY-UHFFFAOYSA-N","391917",NA,"PDBC39163","691597","Present"
-"Methyl 3,5,6-trichlorothieno[3,2-b]thiophene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3,5,6-trichlorothieno[3,2-b]thiophene-2-carboxylate","","COC(=O)C1=C(C2=C(S1)C(=C(S2)Cl)Cl)Cl","QPGYVUKNBXOAFE-UHFFFAOYSA-N","387502",NA,"PDBC39164","681313","Present"
-"Methyl 3,5-bis(4-methoxyphenyl)-4,6-dioxo-1-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3,5-bis(4-methoxyphenyl)-4,6-dioxo-1-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate","","COC1=CC=C(C=C1)C2(C3C(C(N2)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)OC)C(=O)OC","YPDMOUDXMDKCDH-UHFFFAOYSA-N","360221",NA,"PDBC39165","622218","Present"
-"Methyl 3,5-bis[4-(4-hydroxyphenyl)phenyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 3,5-bis[4-(4-hydroxyphenyl)phenyl]benzoate","","COC(=O)C1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)C5=CC=C(C=C5)O","KTZQQTOBJWUPJK-UHFFFAOYSA-N","395728",NA,"PDBC39166","700527","Present"
-"Methyl 3,5-bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 3,5-bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]benzoate","","COC(=O)C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)OCC3=CC=C(C=C3)Br)OCC4=CC=C(C=C4)Br)OCC5=CC(=CC(=C5)OCC6=CC=C(C=C6)Br)OCC7=CC=C(C=C7)Br","DVTUWKLQXMHBSP-UHFFFAOYSA-N","395729",NA,"PDBC39167","700528","Present"
-"Methyl 3,5-di-O-(4-chlorobenzyl)-alpha-D-ribofuranoside","","","","","","","","","","","","","","","","","","","","Methyl 3,5-di-O-(4-chlorobenzyl)-.alpha.-D-ribofuranoside","","COC1C(C(C(O1)COCC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)Cl)O","UFRYXHSGDCMKGK-UHFFFAOYSA-N","362376",NA,"PDBC39168","626120","Present"
-"Methyl 3,5-diamino-1H-pyrazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","NE15512","","COC(=O)C1=C(NN=C1N)N","DBRGFYZSJHOBGU-UHFFFAOYSA-N","361749",NA,"PDBC39169","625015","Present"
-"Methyl 3,5-dichloro-2-hydroxybenzenesulfinate","","","","","","","","","","","","","","","","","","","","Methyl 3,5-dichloro-2-hydroxybenzenesulfinate","","COS(=O)C1=C(C(=CC(=C1)Cl)Cl)O","WRSNHYQWUHHFLB-UHFFFAOYSA-N","361228",NA,"PDBC39170","624185","Present"
-"Methyl 3,5-dimethyl-7H-pyrido[2,3-c]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3,5-dimethyl-7H-pyrido[2,3-c]carbazole-1-carboxylate","","CC1=CC(=C2C3=C4C=CC=CC4=NC3=CC(=C2N1)C)C(=O)OC","VGXGUCGTCBPQSH-UHFFFAOYSA-N","266900",NA,"PDBC39171","105781","Present"
-"Methyl 3,5-dioxo-4-phenyl-2-(phenylcarbamoyl)-1,2,4-triazolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3,5-dioxo-4-phenyl-2-(phenylcarbamoyl)-1,2,4-triazolidine-1-carboxylate","","COC(=O)N1C(=O)N(C(=O)N1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3","BULYUSRLOVTUDE-UHFFFAOYSA-N","392337",NA,"PDBC39172","692613","Present"
-"Methyl 3-(((3,4-dimethoxybenzyl)amino)carbonyl)-2,4-dioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(((3,4-dimethoxybenzyl)amino)carbonyl)-2,4-dioxopentanoate","","CC(=O)C(C(=O)C(=O)OC)C(=O)NCC1=CC(=C(C=C1)OC)OC","LVUTUPWQDQHBEM-UHFFFAOYSA-N","367461",NA,"PDBC39173","637190","Present"
-"Methyl 3-(((6-(hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)amino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate","","","","","","","","","","","","","","","","","","","","Methyl 6-methyl-3-{[(6-nitro-1,3-benzothiazol-2-yl)amino](oxo)acetyl}-2,4-dioxohept-5-enoate","","CC(=CC(=O)C(C(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C(=O)OC)C","DUCASOSLLAIMFU-UHFFFAOYSA-N","369546",NA,"PDBC39174","641407","Present"
-"Methyl 3-((2,4-dimethylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate","","","","","","","","","","","","","","","","","","","","Methyl 3-((2,4-dimethylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate","","CC1=CC(=C(C=C1)NC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)OC)C","RSIHBZPJVYCRFT-UHFFFAOYSA-N","369813",NA,"PDBC39175","642007","Present"
-"Methyl 3-((2-chloro-5-(trifluoromethyl)anilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate","","","","","","","","","","","","","","","","","","","","Methyl 3-((2-chloro-5-(trifluoromethyl)anilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate","","CC(=CC(=O)C(C(=O)C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)C(=O)C(=O)OC)C","OOJRIZLLJVNKSY-UHFFFAOYSA-N","369797",NA,"PDBC39176","641990","Present"
-"Methyl 3-((3-acetylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate","","","","","","","","","","","","","","","","","","","","Methyl 3-((3-acetylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate","","CC(=CC(=O)C(C(=O)C(=O)NC1=CC=CC(=C1)C(=O)C)C(=O)C(=O)OC)C","FZRZDRPTHIRIJC-UHFFFAOYSA-N","369814",NA,"PDBC39177","642008","Present"
-"Methyl 3-((4-chloro-2-methylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate","","","","","","","","","","","","","","","","","","","","Methyl 3-((4-chloro-2-methylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)OC","BSRHJCAGNIMNNV-UHFFFAOYSA-N","369799",NA,"PDBC39178","641992","Present"
-"Methyl 3-((aminocarbonyl)hydrazono)-2-((3-hydroxy-1,4-dihydro-2-quinoxalinyl)methyl)-4-oxo-4-(2-toluidino)butanoate","","","","","","","","","","","","","","","","","","","","Methyl (3Z)-3-(carbamoylhydrazinylidene)-2-[(3-hydroxy-1,4-dihydroquinoxalin-2-yl)methyl]-4-(2-methylanilino)-4-oxobutanoate","","CC1=CC=CC=C1NC(=O)C(=NNC(=O)N)C(CC2=C(NC3=CC=CC=C3N2)O)C(=O)OC","PFOKDGRWGBKMLI-IMRQLAEWSA-N","5926693",NA,"PDBC39179","641993","Present"
-"Methyl 3-((aminocarbonyl)hydrazono)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-oxo-4-(4-toluidino)butanoate","","","","","","","","","","","","","","","","","","","","Methyl (3Z)-3-(carbamoylhydrazinylidene)-4-(4-methylanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate","","CC1=CC=C(C=C1)NC(=O)C(=NNC(=O)N)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC","NPRPPINXHPFRTJ-ONUIUJJFSA-N","5900401",NA,"PDBC39180","648664","Present"
-"Methyl 3-((aminocarbonyl)hydrazono)-4-(2-ethyl-6-isopropylanilino)-4-oxo-2-(2-quinoxalinyl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-((aminocarbonyl)hydrazono)-4-(2-ethyl-6-isopropylanilino)-4-oxo-2-(2-quinoxalinyl)butanoate","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=NNC(=O)N)C(C2=NC3=CC=CC=C3N=C2)C(=O)OC","KVPLHVOBCIOKCU-SWKFRHMKSA-N","5351385",NA,"PDBC39181","642033","Present"
-"Methyl 3-((aminocarbonyl)hydrazono)-4-(4-chloroanilino)-2-((6-chloro-3-hydroxy-2-quinoxalinyl)methyl)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl (3Z)-3-(carbamoylhydrazinylidene)-4-(4-chloroanilino)-2-[(6-chloro-3-oxo-4H-quinoxalin-2-yl)methyl]-4-oxobutanoate","","COC(=O)C(CC1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=NNC(=O)N)C(=O)NC3=CC=C(C=C3)Cl","IALRHWGGNCMHPW-QRQIAZFYSA-N","9571316",NA,"PDBC39182","642011","Present"
-"Methyl 3-((benzylamino)carbonyl)-2,4-dioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(benzylcarbamoyl)-2,4-dioxopentanoate","","CC(=O)C(C(=O)C(=O)OC)C(=O)NCC1=CC=CC=C1","IOIJZIILEHAMOE-UHFFFAOYSA-N","367364",NA,"PDBC39183","637003","Present"
-"Methyl 3-(1,3-benzodioxol-5-yl)-N-benzoyl-2-(dimethoxyphosphoryl)alaninate","","","","","","","","","","","","","","","","","","","","Methyl 2-benzamido-3-(1,3-benzodioxol-5-yl)-2-dimethoxyphosphoryl-propanoate","","COC(=O)C(CC1=CC2=C(C=C1)OCO2)(NC(=O)C3=CC=CC=C3)P(=O)(OC)OC","SKONUVMCTZPLQM-UHFFFAOYSA-N","369434",NA,"PDBC39184","641204","Present"
-"Methyl 3-(1,3-benzothiazol-2-yl)-2-oxopropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1,3-benzothiazol-2-yl)-2-oxopropanoate","","COC(=O)C(=O)CC1=NC2=CC=CC=C2S1","LTVFPXRFTOXELD-UHFFFAOYSA-N","361035",NA,"PDBC39185","623769","Present"
-"Methyl 3-(1,3-benzothiazol-2-yl)-3-cyano-2-oxopropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1,3-benzothiazol-2-yl)-3-cyano-2-oxopropanoate","","COC(=O)C(=O)C(C#N)C1=NC2=CC=CC=C2S1","YCKGQZLABYHCNU-UHFFFAOYSA-N","359726",NA,"PDBC39186","621172","Present"
-"Methyl 3-(1,3-benzoxazol-2-yl)-2-oxopropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1,3-benzoxazol-2-yl)-2-oxopropanoate","","COC(=O)C(=O)CC1=NC2=CC=CC=C2O1","KHNZDEPQKVYXIX-UHFFFAOYSA-N","366799",NA,"PDBC39187","635571","Present"
-"Methyl 3-(1,3-benzoxazol-2-yl)-5-(dibutylamino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1,3-benzoxazol-2-yl)-5-(dibutylamino)-2,4,5-trioxopentanoate","","CCCCN(CCCC)C(=O)C(=O)C(C1=NC2=CC=CC=C2O1)C(=O)C(=O)OC","RKQCCDZIJSMSCT-UHFFFAOYSA-N","367758",NA,"PDBC39188","637697","Present"
-"Methyl 3-(1-acetyl-1H-indol-3-yl)-2-(dimethoxyphosphoryl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1-acetyl-1H-indol-3-yl)-2-(dimethoxyphosphoryl)propanoate","","CC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)OC)P(=O)(OC)OC","RMTYGSVXQWGAOG-UHFFFAOYSA-N","382132",NA,"PDBC39189","669578","Present"
-"Methyl 3-(1-adamantylcarbamoyl)-4-oxo-pyrrolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","4-[(1-Adamantylamino)carbonyl]-1-methoxy carbonyl-3-oxo ...","","COC(=O)N1CC(C(=O)C1)C(=O)NC23CC4CC(C2)CC(C4)C3","IDHGPGHPEIHIRE-UHFFFAOYSA-N","369145",NA,"PDBC39190","640731","Present"
-"Methyl 3-(1-oxidoaziridin-1-ium-1-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(1-oxidoaziridin-1-yl)propanoate","","COC(=O)CC[N+]1(CC1)[O-]","ZEIPIKINEYKTEB-UHFFFAOYSA-N","379580",NA,"PDBC39191","664269","Present"
-"Methyl 3-(2,2-diethoxyethylamino)propanoate","","","","","","","","","","","","","","","","","","","","XAINZBOXLGOBJR-UHFFFAOYSA-N","","CCOC(CNCCC(=O)OC)OCC","XAINZBOXLGOBJR-UHFFFAOYSA-N","377626",NA,"PDBC39192","659204","Present"
-"Methyl 3-(2,3-dihydro-1H-inden-5-yl)-2-(2,3-dihydro-1H-inden-5-ylmethyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(2,3-dihydro-1H-inden-5-yl)-2-(2,3-dihydro-1H-inden-5-ylmethyl)propanoate","","COC(=O)C(CC1=CC2=C(CCC2)C=C1)CC3=CC4=C(CCC4)C=C3","HASRHQLTKNPGGG-UHFFFAOYSA-N","384735",NA,"PDBC39193","674970","Present"
-"Methyl 3-(2,3-dihydro-1H-inden-5-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(2,3-dihydro-1H-inden-5-yl)propanoate","","COC(=O)CCC1=CC2=C(CCC2)C=C1","KJLKCEQFPWXVAS-UHFFFAOYSA-N","382783",NA,"PDBC39194","670461","Present"
-"Methyl 3-(2,3-dimethoxyphenyl)prop-2-ynoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(2,3-dimethoxyphenyl)prop-2-ynoate","","COC1=CC=CC(=C1OC)C#CC(=O)OC","JLJRBZNQSSAFHU-UHFFFAOYSA-N","223005",NA,"PDBC39195","10144","Present"
-"Methyl 3-(2-((hydroxyimino)methyl)-3-pyridinyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(2-((hydroxyimino)methyl)-3-pyridinyl)propanoate","","COC(=O)CCC1=C(N=CC=C1)C=NO","ZVKJUCMSBNXTGF-KPKJPENVSA-N","135499218",NA,"PDBC39196","644884","Present"
-"Methyl 3-(2a-methylsulfanyl-2-oxo-1,3-dihydrobenzo[cd]indol-5-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(2a-methylsulfanyl-2-oxo-1,3-dihydrobenzo[cd]indol-5-yl)propanoate","","COC(=O)CCC1=CCC2(C3=C1C=CC=C3NC2=O)SC","UMLVMDMCOQEKIT-UHFFFAOYSA-N","392962",NA,"PDBC39197","694176","Present"
-"Methyl 3-(3-(methylanilino)-3-oxopropyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-[3-(N-methylanilino)-3-oxopropyl]-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate","","CN(C1=CC=CC=C1)C(=O)CCC2(C3C(C(=O)N(C3=O)C4=CC=CC=C4)NN2)C(=O)OC","LSMKFBFZQZAUPV-UHFFFAOYSA-N","379182",NA,"PDBC39198","663590","Present"
-"Methyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate","","COC(=O)C(=O)C(C#N)C1=CC(=CC=C1)Cl","AJCGDYHWFFROHQ-UHFFFAOYSA-N","359744",NA,"PDBC39199","621190","Present"
-"Methyl 3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxo-5-((5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)amino)pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxo-5-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)amino]pentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=NC(=S)NN3","NMTNCPWBFOZVBO-UHFFFAOYSA-N","3004372",NA,"PDBC39200","648649","Present"
-"Methyl 3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxo-5-(2,4,5-trichloroanilino)pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-5-(2,4,5-trichloroanilino)pentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl","CAYVAIDUPQWMTE-UHFFFAOYSA-N","369840",NA,"PDBC39201","642037","Present"
-"Methyl 3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-5-((6-methyl-1,3-benzothiazol-2-yl)amino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxopentanoate","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)C(=O)C(=O)OC","ZPANCGBVKLBYRS-UHFFFAOYSA-N","372931",NA,"PDBC39202","648643","Present"
-"Methyl 3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-5-(2-(hydroxy(oxido)amino)-4-methoxyanilino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-5-(4-methoxy-2-nitro-anilino)-2,4,5-trioxo-pentanoate","","COC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)C(=O)OC)[N+](=O)[O-]","FJJNIDLSNNAIFV-UHFFFAOYSA-N","371543",NA,"PDBC39203","645872","Present"
-"Methyl 3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-5-(2-methoxyanilino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-5-(2-methoxyanilino)-2,4,5-trioxo-pentanoate","","COC1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)C(=O)OC","OKAWKHJHFKJJAN-UHFFFAOYSA-N","372934",NA,"PDBC39204","648646","Present"
-"Methyl 3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-5-(2-nitroanilino)-2,4,5-trioxo-pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-5-(2-nitroanilino)-2,4,5-trioxo-pentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=CC=C3[N+](=O)[O-]","PICHCZWYQUPKKA-UHFFFAOYSA-N","370939",NA,"PDBC39205","644744","Present"
-"Methyl 3-(3-hydroxyquinoxalin-2-yl)-5-(4-nitroanilino)-2,4,5-trioxo-pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(3-hydroxyquinoxalin-2-yl)-5-(4-nitroanilino)-2,4,5-trioxo-pentanoate","","COC(=O)C(=O)C(C1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","XIZZHMUBNKOJMX-UHFFFAOYSA-N","371981",NA,"PDBC39206","646796","Present"
-"Methyl 3-(3-methoxy-3-oxo-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propyl)-5,6,7,8-tetrahydro-2-naphthalenecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 7-[3-methoxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-6-carboxylate","","COC(=O)C1=C(C=C2CCCCC2=C1)CC(CC3=CC4=C(CCCC4)C=C3)C(=O)OC","OILATIFACRLTIN-UHFFFAOYSA-N","385651",NA,"PDBC39207","676997","Present"
-"Methyl 3-(3-methoxy-4-(phosphonooxy)phenyl)acrylate","","","","","","","","","","","","","","","","","","","","Methyl 3-(3-methoxy-4-(phosphonooxy)phenyl)acrylate","","COC1=C(C=CC(=C1)C=CC(=O)OC)OP(=O)(O)O","GKUPHQXLTQSDOS-GQCTYLIASA-N","5467950",NA,"PDBC39208","660669","Present"
-"Methyl 3-(3-oxo-2,3-dihydro-1H-inden-5-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(3-oxo-2,3-dihydro-1H-inden-5-yl)propanoate","","COC(=O)CCC1=CC2=C(CCC2=O)C=C1","QANKQAILKBWEGK-UHFFFAOYSA-N","382781",NA,"PDBC39209","670459","Present"
-"Methyl 3-(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-2-oxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-2-oxopentanoate","","CCC(C(=O)C(=O)OC)P1(=O)N(CC(O1)(C)C)C(C)(C)C","RSSKYYXCEHZKFI-UHFFFAOYSA-N","395327",NA,"PDBC39210","699809","Present"
-"Methyl 3-(4-(2-hydroxyethyl)-2-methyl-1-piperazinyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]prop...","","CC1CN(CCN1CCC(=O)OC)CCO","UVEJQVMATQJGOG-UHFFFAOYSA-N","377684",NA,"PDBC39211","659264","Present"
-"Methyl 3-(4-(bis(2-cyanoethyl)amino)phenyl)-2-((2-chloro-5-(hydroxy(oxido)amino)benzoyl)amino)acrylate","","","","","","","","","","","","","","","","","","","","Methyl (E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]prop-2-enoate","","COC(=O)C(=CC1=CC=C(C=C1)N(CCC#N)CCC#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl","DKPYGAZRDQWYCO-KGENOOAVSA-N","5921821",NA,"PDBC39212","638227","Present"
-"Methyl 3-(4-chlorophenyl)-3-cyano-2-((2-hydroxybenzoyl)hydrazono)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(4-chlorophenyl)-3-cyano-2-((2-hydroxybenzoyl)hydrazono)propanoate","","COC(=O)C(=NNC(=O)C1=CC=CC=C1O)C(C#N)C2=CC=C(C=C2)Cl","RUMLQRVPIXXRHO-PGMHBOJBSA-N","5930707",NA,"PDBC39213","635415","Present"
-"Methyl 3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolecarboxylate","","","","","","","","","","","","","","","","","","","","Bionet2_001484","","COC(=O)C1CC(=NO1)C2=CC=C(C=C2)Cl","DXIMZWAUSHENSG-UHFFFAOYSA-N","368752",NA,"PDBC39214","639906","Present"
-"Methyl 3-(4-nitrophenyl)prop-2-ynoate","","","","","","","","","","","","","","","","","","","","Propiolic acid, (p-nitrophenyl)-, methyl ester","","COC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]","XNRRUKAHRUCWGC-UHFFFAOYSA-N","251019",NA,"PDBC39215","71090","Present"
-"Methyl 3-(5,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(5,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propanoate","","CC1(CN=C(O1)CCC(=O)OC)C","JJLOFRLCHSVJEO-UHFFFAOYSA-N","379184",NA,"PDBC39216","663592","Present"
-"Methyl 3-(5,5-diphenyl-4H-isoxazol-2-ium-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(5,5-diphenyl-4H-isoxazol-2-ium-2-yl)propanoate","","COC(=O)CC[N+]1=CCC(O1)(C2=CC=CC=C2)C3=CC=CC=C3","TWSWHYZTRIRQFY-UHFFFAOYSA-N","495303",NA,"PDBC39217","649440","Present"
-"Methyl 3-(5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoate","","COC1=C2CCC(C(=O)C2=C(C=C1)OC)CCC(=O)OC","XAPSTMZSTUBZJL-UHFFFAOYSA-N","361600",NA,"PDBC39218","624781","Present"
-"Methyl 3-(5-((3-(3-methoxy-3-oxopropyl)-4,5-dihydro-5-isoxazolyl)methyl)-4,5-dihydro-3-isoxazolyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[5-[[3-(3-methoxy-3-oxopropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]propanoate","","COC(=O)CCC1=NOC(C1)CC2CC(=NO2)CCC(=O)OC","QTGHUNIWFITBRK-UHFFFAOYSA-N","361650",NA,"PDBC39219","624868","Present"
-"Methyl 3-(5-(bis(2-chloroethyl)amino)-1H-indol-3-yl)propanoate","","","","","","","","","","","","","","","","","","","","Indole-3-propionic acid, 5-[bis(2-chloroethyl)amino]-, m...","","COC(=O)CCC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl","UJMUCMMVMLXILD-UHFFFAOYSA-N","257269",NA,"PDBC39220","85230","Present"
-"Methyl 3-(6-(hydroxy(methoxy)methyl)-2,3-dihydro-1H-inden-5-yl)-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 2-[[6-[hydroxy(methoxy)methyl]indan-5-yl]methyl]-3-tetralin-6-yl-propanoate","","COC(C1=C(C=C2CCCC2=C1)CC(CC3=CC4=C(CCCC4)C=C3)C(=O)OC)O","UTKQTSSMKGJSHX-UHFFFAOYSA-N","385655",NA,"PDBC39221","677001","Present"
-"Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxo-5-(4-toluidino)pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-2,4,5-trioxo-5-(para-tolylamino)pentanoate","","CC1=CC=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC","KKCBEEFDXQMKAF-UHFFFAOYSA-N","372895",NA,"PDBC39222","648607","Present"
-"Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2-hydrazono-5-(3-(hydroxy(oxido)amino)anilino)-4,5-dioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-5-(3-nitroanilino)-4,5-dioxopentanoate","","COC(=O)C(=NN)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]","PYLQDVINPHITIN-JDCMOKTRSA-N","5902344",NA,"PDBC39223","649837","Present"
-"Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-5-(2,5-bis(hydroxy(oxido)amino)anilino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-benzoyl-3-hydroxy-quinoxalin-2-yl)-5-(2,5-dinitroanilino)-2,4,5-trioxo-pentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","WRMMIPFZDDBWGY-UHFFFAOYSA-N","369862",NA,"PDBC39224","642059","Present"
-"Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-5-(4-chloro-2-methylanilino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-5-(4-chloro-2-methylanilino)-2,4,5-trioxopentanoate","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC","AEXYXPIXQIGZTO-UHFFFAOYSA-N","370935",NA,"PDBC39225","644740","Present"
-"Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-(2,5-dimethylphenylamino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-5-(2,5-dimethylanilino)-2,4,5-trioxopentanoate","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC","VOZMUEZVJVTRCA-UHFFFAOYSA-N","369843",NA,"PDBC39226","642040","Present"
-"Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-(2-carbamoylphenylamino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-(2-carbamoylphenylamino)-2,4,5-trioxopentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)NC4=CC=CC=C4C(=O)N","YRFHFYADBWEMCM-UHFFFAOYSA-N","369860",NA,"PDBC39227","642056","Present"
-"Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-[(3,4-dichlorophenyl)amino]-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-[(3,4-dichlorophenyl)amino]-2,4,5-trioxopentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl","ZMPULCWOJZYSCO-UHFFFAOYSA-N","372901",NA,"PDBC39228","648613","Present"
-"Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(2,4-dichloroanilino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(2,4-dichloroanilino)-2,4,5-trioxopentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","VSINSEPBSFJUSH-UHFFFAOYSA-N","373456",NA,"PDBC39229","649813","Present"
-"Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(2,4-dimethylanilino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(2,4-dimethylanilino)-2,4,5-trioxopentanoate","","CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)C(=O)OC)C","ZTPMQORLPXXNFA-UHFFFAOYSA-N","373465",NA,"PDBC39230","649822","Present"
-"Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(3-(hydroxy(oxido)amino)anilino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-chloro-3-hydroxy-quinoxalin-2-yl)-5-(3-nitroanilino)-2,4,5-trioxo-pentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","QABVQTDKFADLBH-UHFFFAOYSA-N","373463",NA,"PDBC39231","649820","Present"
-"Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(3-methoxyanilino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(3-methoxyanilino)-2,4,5-trioxopentanoate","","COC1=CC=CC(=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)C(=O)OC","FEZPSJAQNLDLSN-UHFFFAOYSA-N","373367",NA,"PDBC39232","649582","Present"
-"Methyl 3-(8-hydroxy-5-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(8-hydroxy-5-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoate","","COC1=C2CCC(C(=O)C2=C(C=C1)O)CCC(=O)OC","RDHPQTRMYAFEIN-UHFFFAOYSA-N","361601",NA,"PDBC39233","624782","Present"
-"Methyl 3-(N-acetyl-7-bromoindol-3-yl)acrylate","","","","","","","","","","","","","","","","","","","","Methyl 3-(N-acetyl-7-bromoindol-3-yl)acrylate","","CC(=O)N1C=C(C2=C1C=CC(=C2)Br)C=CC(=O)OC","SSXPUKBMEDBELU-ZZXKWVIFSA-N","45027930",NA,"PDBC39234","740192","Present"
-"Methyl 3-([(benzyloxy)carbonyl]amino)propanoate","","","","","","","","","","","","","","","","","","","","N-(Benzyloxycarbonyl)-.beta.-alanine methyl ester","","COC(=O)CCNC(=O)OCC1=CC=CC=C1","LWSYHFSVQUXZJI-UHFFFAOYSA-N","376763",NA,"PDBC39235","657819","Present"
-"Methyl 3-(acetyloxy)-2-((3-(3-(acetyloxy)-4-hydroxyphenyl)acryloyl)amino)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(acetyloxy)-2-((3-(3-(acetyloxy)-4-hydroxyphenyl)acryloyl)amino)propanoate","","CC(=O)OCC(C(=O)OC)NC(=O)C=CC1=CC(=C(C=C1)O)OC(=O)C","KQJYAPDDJMABGO-FNORWQNLSA-N","5470544",NA,"PDBC39236","702987","Present"
-"Methyl 3-(acetyloxymethyl)-2,5-bis(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-(acetyloxymethyl)-2,5-bis(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","CC(=O)OCC1C(OC(=C1C(=O)OC)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC","UQPIDFYYQTZESB-UHFFFAOYSA-N","360098",NA,"PDBC39237","621960","Present"
-"Methyl 3-(benzenesulfonyl)-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-(benzenesulfonyl)-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate","","COC(=O)C1C2CC(N1S(=O)(=O)C3=CC=CC=C3)C=C2","LWPGXFSIHHPTDY-UHFFFAOYSA-N","496534",NA,"PDBC39238","693115","Present"
-"Methyl 3-(diethoxyphosphoryl)-6-hydroxy-2-(4-methylphenyl)isonicotinate","","","","","","","","","","","","","","","","","","","","Methyl 3-(diethoxyphosphoryl)-6-hydroxy-2-(4-methylphenyl)isonicotinate","","CCOP(=O)(C1=C(NC(=O)C=C1C(=O)OC)C2=CC=C(C=C2)C)OCC","QQOBZQGUGCIQGG-UHFFFAOYSA-N","391117",NA,"PDBC39239","689735","Present"
-"Methyl 3-(dimethyl(phenylthio)germyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(dimethyl(phenylthio)germyl)propanoate","","COC(=O)CC[Ge](C)(C)SC1=CC=CC=C1","HPVNMJGNMALGNH-UHFFFAOYSA-N","16683241",NA,"PDBC39240","650712","Present"
-"Methyl 3-(hydroxymethyl)bicyclo[2.2.1]hepta-2,5-diene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-(hydroxymethyl)bicyclo[2.2.1]hepta-2,5-diene-2-carboxylate","","COC(=O)C1=C(C2CC1C=C2)CO","QFQKMAHLFBUZBV-UHFFFAOYSA-N","361732",NA,"PDBC39241","624974","Present"
-"Methyl 3-(propylcarbamoyl)naphthalene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-(propylcarbamoyl)naphthalene-2-carboxylate","","CCCNC(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC","UGYSKLCFHZSDRU-UHFFFAOYSA-N","364301",NA,"PDBC39242","630318","Present"
-"Methyl 3-O-acetyl-2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxyhexopyranoside","","","","","","","","","","","","","","","","","","","","[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] acetate","","CC(=O)OC1C(C(OC(C1O)CO)OC)NC(=O)N(CCCl)N=O","FCDZYIGVKBCDSO-UHFFFAOYSA-N","370166",NA,"PDBC39243","642910","Present"
-"Methyl 3-[(1-nitroacridin-9-yl)amino]propanoate","","","","","","","","","","","","","","","","","","","","Propanoic acid, 3-[(1-nitro-9-acridinyl)amino]-, methyl ...","","COC(=O)CCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]","LXKKFMDQYDSSEW-UHFFFAOYSA-N","384259",NA,"PDBC39244","673805","Present"
-"Methyl 3-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)sulfanyl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)sulfanyl]propanoate","","COC(=O)CCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","FLTGVUOYRKFJQK-UHFFFAOYSA-N","390133",NA,"PDBC39245","687159","Present"
-"Methyl 3-[(2-chloro-4-nitrophenoxy)methyl]benzoate","","","","","","","","","","","","","","","","","","","","STK313172","","COC(=O)C1=CC=CC(=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl","IWCXQSCSIYCLEJ-UHFFFAOYSA-N","287271",NA,"PDBC39246","146847","Present"
-"Methyl 3-[(2-chlorophenyl)carbamoylsulfanyl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[N-(2-Chlorophenylthiocarbamoyl)]-propanoate","","COC(=O)CCSC(=O)NC1=CC=CC=C1Cl","YZJOSJWDPRKCOF-UHFFFAOYSA-N","363911",NA,"PDBC39247","629300","Present"
-"Methyl 3-[(2E)-2-hydroxyimino-1,7-dimethyl-norbornan-7-yl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[(2E)-2-hydroxyimino-1,7-dimethyl-norbornan-7-yl]propanoate","","CC12CCC(C1(C)CCC(=O)OC)CC2=NO","XCEOSCOLLDESRH-GXDHUFHOSA-N","9571578",NA,"PDBC39248","683845","Present"
-"Methyl 3-[(2E)-2-hydroxyimino-7-methyl-norbornan-7-yl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[(2E)-2-hydroxyimino-7-methyl-norbornan-7-yl]propanoate","","CC1(C2CCC1C(=NO)C2)CCC(=O)OC","RPPHEBMIMZESDZ-JLHYYAGUSA-N","5934580",NA,"PDBC39249","683846","Present"
-"Methyl 3-[(2S,3R,4aR,7S,7aR)-3-hydroxy-2-methyl-5-oxo-7-[(2S)-6-oxoheptan-2-yl]-4,4a,7,7a-tetrahydro-3H-furo[3,4-b]pyran-2-yl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[(2S,3R,4aR,7S,7aR)-3-hydroxy-2-methyl-5-oxo-7-[(2S)-6-oxoheptan-2-yl]-4,4a,7,7a-tetrahydro-3H-furo[3,4-b]pyran-2-yl]propanoate","","CC(CCCC(=O)C)C1C2C(CC(C(O2)(C)CCC(=O)OC)O)C(=O)O1","ZDVYNZAALXYCKO-CRNRLYIRSA-N","24204114",NA,"PDBC39250","730663","Present"
-"Methyl 3-[(4-methoxyphenyl)carbamoyl]-4-oxo-2-phenyl-2,3-dihydropyran-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-[(4-methoxyphenyl)carbamoyl]-4-oxo-2-phenyl-2,3-dihydropyran-6-carboxylate","","COC1=CC=C(C=C1)NC(=O)C2C(OC(=CC2=O)C(=O)OC)C3=CC=CC=C3","UNRNOOANIVAJPP-UHFFFAOYSA-N","366146",NA,"PDBC39251","634473","Present"
-"Methyl 3-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]propanoate","","COC(=O)CCSC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2","IFEGTAVIIAKMLG-UHFFFAOYSA-N","359048",NA,"PDBC39252","619425","Present"
-"Methyl 3-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate","","COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC(=O)C4=CC=CC=C43","MOZXUADZWDBIAQ-UHFFFAOYSA-N","45028030",NA,"PDBC39253","740800","Present"
-"Methyl 3-[(E)-3-acetamido-1-methoxy-1-oxobut-2-en-2-yl]-1H-indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-[(E)-3-acetamido-1-methoxy-1-oxobut-2-en-2-yl]-1H-indole-2-carboxylate","","CC(=C(C1=C(NC2=CC=CC=C21)C(=O)OC)C(=O)OC)NC(=O)C","XHZASZUQTZXRRX-UKTHLTGXSA-N","5468395",NA,"PDBC39254","669519","Present"
-"Methyl 3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1-benzofuran-5-yl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1-benzofuran-5-yl]propanoate","","COC1=C(C=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3)CCC(=O)OC)OC)CO)OC","GFOCZZIFHVDCBW-UHFFFAOYSA-N","384749",NA,"PDBC39255","675002","Present"
-"Methyl 3-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate","","","","","","","","","","","","","","","","","","","","methyl 3-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-...","","COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","RKACGTWAFZTIHD-UHFFFAOYSA-N","1194961",NA,"PDBC39256","732842","Present"
-"Methyl 3-[4-(3-methoxy-3-oxopropyl)phenyl]propanoate","","","","","","","","","","","","","","","","","","","","Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester","","COC(=O)CCC1=CC=C(C=C1)CCC(=O)OC","YBPCZDKFGFYLAU-UHFFFAOYSA-N","382780",NA,"PDBC39257","670458","Present"
-"Methyl 3-[4-tert-butyl-1-[(4-methylphenyl)sulfonylamino]cyclohexyl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[4-tert-butyl-1-[(4-methylphenyl)sulfonylamino]cyclohexyl]propanoate","","CC1=CC=C(C=C1)S(=O)(=O)NC2(CCC(CC2)C(C)(C)C)CCC(=O)OC","QAWQTGMYEBLYNB-UHFFFAOYSA-N","359246",NA,"PDBC39258","619954","Present"
-"Methyl 3-[5-methoxy-4-(2-methoxy-2-oxoethyl)-5-methyl-2-(phenylmethoxycarbonylamino)pyrrol-3-yl]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[5-methoxy-4-(2-methoxy-2-oxoethyl)-5-methyl-2-(phenylmethoxycarbonylamino)pyrrol-3-yl]propanoate","","CC1(C(=C(C(=N1)NC(=O)OCC2=CC=CC=C2)CCC(=O)OC)CC(=O)OC)OC","IOUFGZUQBNHXOH-UHFFFAOYSA-N","396279",NA,"PDBC39259","701976","Present"
-"Methyl 3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC(=C6)C(=O)OC","SVBKRHKEBFEVRL-LYJLOTJCSA-N","363642",NA,"PDBC39260","628671","Present"
-"Methyl 3-[[2-[[2-[[2-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butanoyl]amino]-4-methoxy-4-oxo-butanoyl]amino]-4-methoxy-4-oxo-butanoyl]amino]-4-[[1-[[1-(hydrazinecarbonyl)-3-methoxy-3-oxo-propyl]carbamoyl]-3-methoxy-3-oxo-propyl]amino]-4-oxo-butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[[1-[(1-hydrazinyl-4-methoxy-1,4-dioxobutan-2-yl)amino]-4-methoxy-1,4-dioxobutan-2-yl]amino]-3-[[4-methoxy-2-[[4-methoxy-2-[[4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-ox","","COC(=O)CC(C(=O)NC(CC(=O)OC)C(=O)NC(CC(=O)OC)C(=O)NN)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1.Cl","KMRZKLUMMUPIGT-UHFFFAOYSA-N","381822",NA,"PDBC39261","668895","Present"
-"Methyl 3-[cyclopropyl-(3-methoxy-3-oxopropyl)amino]propanoate","","","","","","","","","","","","","","","","","","","","ALBB-026678","","COC(=O)CCN(CCC(=O)OC)C1CC1","XPFPGQGFWHRWDG-UHFFFAOYSA-N","379579",NA,"PDBC39262","664268","Present"
-"Methyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate","","CC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)C(=O)OC)[O-])C(F)(F)F","WLKQIYBUCGYWMZ-UHFFFAOYSA-N","54613749",NA,"PDBC39263","750204","Present"
-"Methyl 3-acetyl-5-(2,4-dimethylanilino)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-acetyl-5-(2,4-dimethylanilino)-2,4,5-trioxopentanoate","","CC1=CC(=C(C=C1)NC(=O)C(=O)C(C(=O)C)C(=O)C(=O)OC)C","OBUVGFJWKZTOIY-UHFFFAOYSA-N","369274",NA,"PDBC39264","641005","Present"
-"Methyl 3-amino-2-cyano-3-(2-imino-4-methyl-2H-chromen-3-yl)acrylate","","","","","","","","","","","","","","","","","","","","Methyl 3-amino-2-cyano-3-(2-imino-4-methyl-2H-chromen-3-yl)acrylate","","CC1=C(C(=N)OC2=CC=CC=C12)C(=C(C#N)C(=O)OC)N","KANALKIZNRIAQK-OVPUCLHSSA-N","3005356",NA,"PDBC39265","694563","Present"
-"Methyl 3-amino-4,4,4-trichloro-2-cyano-2-butenoate","","","","","","","","","","","","","","","","","","","","Methyl 3-amino-4,4,4-trichloro-2-cyano-2-butenoate","","COC(=O)C(=C(C(Cl)(Cl)Cl)N)C#N","HTKQPJJUFCSKJD-ARJAWSKDSA-N","3004059",NA,"PDBC39266","625020","Present"
-"Methyl 3-benzoyloxy-2-(3,5-dioxoheptan-4-yl)-6-hydroxybenzoate","","","","","","","","","","","","","","","","","","","","Methyl 3-benzoyloxy-2-(3,5-dioxoheptan-4-yl)-6-hydroxybenzoate","","CCC(=O)C(C1=C(C=CC(=C1C(=O)OC)O)OC(=O)C2=CC=CC=C2)C(=O)CC","CLWWULLLADAWRH-UHFFFAOYSA-N","359530",NA,"PDBC39267","620513","Present"
-"Methyl 3-benzoyloxy-5-(2-cyclohex-2-en-1-yloxy-2-oxoethyl)-1,2-oxazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-benzoyloxy-5-(2-cyclohex-2-en-1-yloxy-2-oxoethyl)-1,2-oxazole-4-carboxylate","","COC(=O)C1=C(ON=C1OC(=O)C2=CC=CC=C2)CC(=O)OC3CCCC=C3","MELDVCDDAUVMOX-UHFFFAOYSA-N","359224",NA,"PDBC39268","619933","Present"
-"Methyl 3-bromo-2-(bromomethyl)propionate","","","","","","","","","","","","","","","","","","","","Propanoic acid, 3-bromo-2-(bromomethyl)-, methyl ester","","COC(=O)C(CBr)CBr","USXVPPOARMSYGY-UHFFFAOYSA-N","140895",NA,"PDBC39269","620109","Present"
-"Methyl 3-butylsulfanyl-2-[[(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoyl]amino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-butylsulfanyl-2-[[(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoyl]amino]propanoate","","CCCCSCC(C(=O)OC)NC(=O)C=CC1=C(NC(=O)NC1=O)C","DMGBMAFCALOMMR-VOTSOKGWSA-N","5383838",NA,"PDBC39270","201241","Present"
-"Methyl 3-chloro-5-[1-(3-chloro-4-hydroxy-5-methoxycarbonylphenyl)-4-[(3S,10S,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-hydroxybenzoate","","","","","","","","","","","","","","","","","","","","(5.alpha.)-3.beta.-[4,4-Di(5'-chloro-4'-hydroxy-3'-metho...","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)OC)C6=CC(=C(C(=C6)Cl)O)C(=O)OC)C)C","HPSKJNANJFIHTK-GZKBEZCGSA-N","6712227",NA,"PDBC39271","661403","Present"
-"Methyl 3-chloropropanimidate hydrochloride","","","","","","","","","","","","","","","","","","","","NSC659147","","COC(=N)CCCl.Cl","BPRGIMJXESYZCI-UHFFFAOYSA-N","377577",NA,"PDBC39272","659147","Present"
-"Methyl 3-cyano-2-((2-hydroxybenzoyl)hydrazono)-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-cyano-2-((2-hydroxybenzoyl)hydrazono)-3-phenylpropanoate","","COC(=O)C(=NNC(=O)C1=CC=CC=C1O)C(C#N)C2=CC=CC=C2","IAKGZCIZYVUMEZ-SILNSSARSA-N","5918666",NA,"PDBC39273","635337","Present"
-"Methyl 3-cyano-2-hydroxy-6-(2-naphthyl)isonicotinate","","","","","","","","","","","","","","","","","","","","Methyl 3-cyano-2-hydroxy-6-(2-naphthyl)isonicotinate","","COC(=O)C1=C(C(=O)NC(=C1)C2=CC3=CC=CC=C3C=C2)C#N","DIWRYRIOYBQNET-UHFFFAOYSA-N","341306",NA,"PDBC39274","373070","Present"
-"Methyl 3-cyano-3-(1-naphthyl)-2-oxopropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-cyano-3-(1-naphthyl)-2-oxopropanoate","","COC(=O)C(=O)C(C#N)C1=CC=CC2=CC=CC=C21","HMHWMDGGGJPCSM-UHFFFAOYSA-N","360355",NA,"PDBC39275","622413","Present"
-"Methyl 3-cyano-3-(2,6-dichlorophenyl)-2-oxopropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-cyano-3-(2,6-dichlorophenyl)-2-oxopropanoate","","COC(=O)C(=O)C(C#N)C1=C(C=CC=C1Cl)Cl","QEMMPKFGNJOGLX-UHFFFAOYSA-N","359730",NA,"PDBC39276","621176","Present"
-"Methyl 3-cyano-3-(3,4-dichlorophenyl)-2-oxopropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-cyano-3-(3,4-dichlorophenyl)-2-oxopropanoate","","COC(=O)C(=O)C(C#N)C1=CC(=C(C=C1)Cl)Cl","ZNAQINFARHONRK-UHFFFAOYSA-N","359718",NA,"PDBC39277","621163","Present"
-"Methyl 3-cyano-3-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-cyano-3-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3-phenylpropanoate","","CC1C(OP(=O)(N1C)OC(CC(=O)OC)(C#N)C2=CC=CC=C2)C3=CC=CC=C3","XGWHBQUKHSXNBJ-UHFFFAOYSA-N","400229",NA,"PDBC39278","711747","Present"
-"Methyl 3-cyano-3-[4-(cyanomethyl)phenyl]-2-oxopropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-cyano-3-[4-(cyanomethyl)phenyl]-2-oxopropanoate","","COC(=O)C(=O)C(C#N)C1=CC=C(C=C1)CC#N","WUDFOSUVDAORKL-UHFFFAOYSA-N","359720",NA,"PDBC39279","621165","Present"
-"Methyl 3-cyano-5-hydroxy-2-methyl-1H-indole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-cyano-5-hydroxy-2-methyl-1H-indole-4-carboxylate","","CC1=C(C2=C(N1)C=CC(=C2C(=O)OC)O)C#N","PPHFMUZBUQWGNN-UHFFFAOYSA-N","24203203",NA,"PDBC39280","727116","Present"
-"Methyl 3-dodecyl-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-dodecyl-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate","","CCCCCCCCCCCCC1C(=C2CCCN2C(=N1)N)C(=O)OC","AFFVUZCIAPPPEI-UHFFFAOYSA-N","380165",NA,"PDBC39281","665603","Present"
-"Methyl 3-ethoxy-2-((4-methylphenyl)sulfonyl)acrylate","","","","","","","","","","","","","","","","","","","","Methyl 3-ethoxy-2-((4-methylphenyl)sulfonyl)acrylate","","CCOC=C(C(=O)OC)S(=O)(=O)C1=CC=C(C=C1)C","PAEROHPMMFDRAF-FMIVXFBMSA-N","3005099",NA,"PDBC39282","671466","Present"
-"Methyl 3-ethylsulfanyl-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 7-(ethylsulfanyl)-6-oxo-1,3,4,6-tetrahydro-2h-quinolizine-9-carboxylate","","CCSC1=CC(=C2CCCCN2C1=O)C(=O)OC","UOUQFAXYLYLTFG-UHFFFAOYSA-N","394438",NA,"PDBC39283","697914","Present"
-"Methyl 3-fluoro-1-adamantylcarbamate","","","","","","","","","","","","","","","","","","","","Methyl 3-fluoro-1-adamantylcarbamate","","COC(=O)NC12CC3CC(C1)CC(C3)(C2)F","FNADVOSALLPLAC-UHFFFAOYSA-N","371828",NA,"PDBC39284","646344","Present"
-"Methyl 3-formyl-6-methoxy-2-methyl-1H-indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-formyl-6-methoxy-2-methyl-1H-indole-1-carboxylate","","CC1=C(C2=C(N1C(=O)OC)C=C(C=C2)OC)C=O","SNHMEHSOGVTAFK-UHFFFAOYSA-N","386815",NA,"PDBC39285","679523","Present"
-"Methyl 3-hydrazono-4-(3-hydroxyanilino)-2-(3-hydroxy-2-quinoxalinyl)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-hydrazono-4-(3-hydroxyanilino)-2-(3-hydroxy-2-quinoxalinyl)-4-oxobutanoate","","COC(=O)C(C1=NC2=CC=CC=C2NC1=O)C(=NN)C(=O)NC3=CC(=CC=C3)O","SFWIMGNOZCIEAB-JLPGSUDCSA-N","9571365",NA,"PDBC39286","648640","Present"
-"Methyl 3-hydroxy-4-nitrobenzoate","","","","","","","","","","","","","","","","","","","","KSC379E5N","","COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O","UEGCRFNWTGYVKX-UHFFFAOYSA-N","294866",NA,"PDBC39287","163972","Present"
-"Methyl 3-hydroxy-6-(4-methoxyphenyl)-1-cyclohexene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-hydroxy-6-(4-methoxyphenyl)-1-cyclohexene-1-carboxylate","","COC1=CC=C(C=C1)C2CCC(C=C2C(=O)OC)O","LRFDUKQREILRFF-UHFFFAOYSA-N","372279",NA,"PDBC39288","647337","Present"
-"Methyl 3-hydroxy-6a-methyl-2-phenyl-3a,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-hydroxy-6a-methyl-2-phenyl-3a,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxylate","","CC12CCCC1C(C(=N2)C3=CC=CC=C3)(C(=O)OC)O","BNQJIQUKZYYSPE-UHFFFAOYSA-N","394450",NA,"PDBC39289","697924","Present"
-"Methyl 3-hydroxy-6a-methyl-2-phenyloctahydrocyclopenta[b]pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-hydroxy-6a-methyl-2-phenyloctahydrocyclopenta[b]pyrrole-3-carboxylate","","CC12CCCC1C(C(N2)C3=CC=CC=C3)(C(=O)OC)O","QGHFEMXCFXYVOM-UHFFFAOYSA-N","394451",NA,"PDBC39290","697925","Present"
-"Methyl 3-methyl-7-(4-nitrophenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-methyl-7-(4-nitrophenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate","","CC1=NN(C2=C1N=C(CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4","AYYLSMYUWYZQCT-UHFFFAOYSA-N","378934",NA,"PDBC39291","662442","Present"
-"Methyl 3-oxo-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2-carboxylate","","","","","","","","","","","","","","","","","","","","1H-Benz[f]inden-2-carboxylic acid, 2,3,5,6,7,8-hexahydro...","","COC(=O)C1CC2=C(C1=O)C=C3CCCCC3=C2","YEQUBSPQHUNXLU-UHFFFAOYSA-N","382674",NA,"PDBC39292","670322","Present"
-"Methyl 3-oxo-3-((3-(phenylsulfonyl)-2-thienyl)amino)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-oxo-3-((3-(phenylsulfonyl)-2-thienyl)amino)propanoate","","COC(=O)CC(=O)NC1=C(C=CS1)S(=O)(=O)C2=CC=CC=C2","ZAQAESJURUGEMS-UHFFFAOYSA-N","393674",NA,"PDBC39293","696050","Present"
-"Methyl 3-oxo-3-((phenylthio)oxy)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-oxo-3-((phenylthio)oxy)propanoate","","COC(=O)CC(=O)OSC1=CC=CC=C1","SFEKILOBONIHEG-UHFFFAOYSA-N","373265",NA,"PDBC39294","649417","Present"
-"Methyl 3-oxo-3-[(4-oxocyclohexen-1-yl)methylamino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-oxo-3-[(4-oxocyclohexen-1-yl)methylamino]propanoate","","COC(=O)CC(=O)NCC1=CCC(=O)CC1","HLLXAMATACITDC-UHFFFAOYSA-N","359545",NA,"PDBC39295","620529","Present"
-"Methyl 3-phenyl-2-[[4-[(1Z,4Z,9Z,15Z)-10,15,20-tris[4-[(1-benzyl-2-methoxy-2-oxo-ethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]sulfonylamino]propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-phenyl-2-[[4-[10,15,20-tris[4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]sulfonylamino]propanoate","","COC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=C(C=C8)S(=O)(=O)NC(CC9=CC=CC=C9)C(=O)OC)C1=CC=C(C=C1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)OC)C=C5)C1=CC=C(C=C1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)OC)N4","XKLHHWPKWJNQTQ-UHFFFAOYSA-N","16129817",NA,"PDBC39296","681457","Present"
-"Methyl 3-phenyl-3-(2-phenyl-1,3-dithiolan-2-yl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-phenyl-3-(2-phenyl-1,3-dithiolan-2-yl)propanoate","","COC(=O)CC(C1=CC=CC=C1)C2(SCCS2)C3=CC=CC=C3","XJHLTJCCTLDNSI-UHFFFAOYSA-N","372634",NA,"PDBC39297","648083","Present"
-"Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate","","COC(=O)C1CCC2=NN=C(N12)C3=CC=CC=C3","AMTYBEMFFVEGHG-UHFFFAOYSA-N","365484",NA,"PDBC39298","633117","Present"
-"Methyl 3-spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-ylpropanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-ylpropanoate","","COC(=O)CCC1=CC2=C(CC3(C2)CC4=C(C3)C5=C(CCC5)C=C4)C=C1","DQLFKPLUAHTQNN-UHFFFAOYSA-N","385721",NA,"PDBC39299","677067","Present"
-"Methyl 3a-methyl-4-oxo-1,2,3,3a,4,8a-hexahydro-2-azulenecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 3a-methyl-4-oxo-1,2,3,3a,4,8a-hexahydro-2-azulenecarboxylate","","CC12CC(CC1C=CC=CC2=O)C(=O)OC","VJABCSRKLJZUIR-UHFFFAOYSA-N","371880",NA,"PDBC39300","646445","Present"
-"Methyl 3a-methyl-7-oxo-3,3a,4,5-tetrahydro-7H-pyrazolo[1,5-a][5,1]benzoxazocine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-methyl-10-oxo-9-oxa-2,3-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,11,13-tetraene-4-carboxylate","","CC12CCOC(=O)C3=CC=CC=C3N1N=C(C2)C(=O)OC","IRGIKRIYYDQHQY-UHFFFAOYSA-N","385045",NA,"PDBC39301","675966","Present"
-"Methyl 4,20-bis(2-methylpropyl)-2,5,8,16,19,22-hexaoxo-7,17-dipropyl-3,6,9,15,18,21,27-heptazabicyclo[21.3.1]heptacosa-1(26),23(27),24-triene-10-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4,20-bis(2-methylpropyl)-2,5,8,16,19,22-hexaoxo-7,17-dipropyl-3,6,9,15,18,21,27-heptazabicyclo[21.3.1]heptacosa-1(26),23(27),24-triene-10-carboxylate","","CCCC1C(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C2=CC=CC(=N2)C(=O)NC(C(=O)N1)CC(C)C)CC(C)C)CCC)C(=O)OC","QROBOPCWRIXSKJ-UHFFFAOYSA-N","403892",NA,"PDBC39302","719476","Present"
-"Methyl 4,5-dibromo-1-methylpyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","FCH2346213","","CN1C(=CC(=C1Br)Br)C(=O)OC","UTOZAUBXQWRZIF-UHFFFAOYSA-N","360185",NA,"PDBC39303","622156","Present"
-"Methyl 4,6-dimethyl-2-pyridinyldithiocarbamate","","","","","","","","","","","","","","","","","","","","Methyl 4,6-dimethyl-2-pyridinyldithiocarbamate","","CC1=CC(=NC(=C1)NC(=S)SC)C","LUAMXMOQEXBAHW-UHFFFAOYSA-N","3005021",NA,"PDBC39304","667883","Present"
-"Methyl 4-(((((1-chloro-2-methylpropylidene)amino)oxy)carbonyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, 2-methyl-N-[[[[4-(methoxy- carbo...","","CC(C)C(=NOC(=O)NC1=CC=C(C=C1)C(=O)OC)Cl","OTPODGQXPCDHKS-WJDWOHSUSA-N","9556252",NA,"PDBC39305","682829","Present"
-"Methyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)-2-hydroxybenzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienylmethyl]a...","","COC(=O)C1=C(C=C(C=C1)NCC2=CC(=O)C=CC2=O)O","MSZWFUNQRVBYKU-UHFFFAOYSA-N","390795",NA,"PDBC39306","688791","Present"
-"Methyl 4-((2,3-dimethoxy-6-quinoxalinyl)methoxy)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-((2,3-dimethoxy-6-quinoxalinyl)methoxy)benzoate","","COC1=NC2=C(C=C(C=C2)COC3=CC=C(C=C3)C(=O)OC)N=C1OC","MIOROHOHEQJBBS-UHFFFAOYSA-N","374658",NA,"PDBC39307","652758","Present"
-"Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-hydroxy-4-[[(2,5-dihydroxyphenyl)-methyl...","","COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2)O)O)O","UKKCCABWWBKWOE-UHFFFAOYSA-N","390508",NA,"PDBC39308","687945","Present"
-"Methyl 4-((2-(methylamino)-2-oxoethyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-((2-(methylamino)-2-oxoethyl)amino)-4-oxobutanoate","","CNC(=O)CNC(=O)CCC(=O)OC","XPSQNILYEPSFCE-UHFFFAOYSA-N","391820",NA,"PDBC39309","691407","Present"
-"Methyl 4-((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methoxy)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methoxy)benzoate","","COC(=O)C1=CC=C(C=C1)OCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4","GRBXHWPKQLQOAY-UHFFFAOYSA-N","374659",NA,"PDBC39310","652759","Present"
-"Methyl 4-((3-(2-methoxyanilino)-3-oxopropanoyl)hydrazono)-4H-chromene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-((3-(2-methoxyanilino)-3-oxopropanoyl)hydrazono)-4H-chromene-2-carboxylate","","COC1=CC=CC=C1NC(=O)CC(=O)NN=C2C=C(OC3=CC=CC=C32)C(=O)OC","ZKBLTTCSYKRFKG-HZHRSRAPSA-N","9571320",NA,"PDBC39311","642577","Present"
-"Methyl 4-((3-(methylamino)-3-oxopropyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-((3-(methylamino)-3-oxopropyl)amino)-4-oxobutanoate","","CNC(=O)CCNC(=O)CCC(=O)OC","AVYKWPXNZNFCPS-UHFFFAOYSA-N","391821",NA,"PDBC39312","691408","Present"
-"Methyl 4-((3-chloro-2-phenyl-6-quinoxalinyl)methoxy)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(3-chloro-2-phenylquinoxalin-6-yl)methoxy]benzoate","","COC(=O)C1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","WANUSUHTLCEOQB-UHFFFAOYSA-N","392815",NA,"PDBC39313","693771","Present"
-"Methyl 4-((3-chloro-4-((3-chloro-4-methoxyphenyl)amino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)benzoate","","","","","","","","","","","","","","","","","","","","methyl 4-[3-chloro-4-(3-chloro-4-methoxyanilino)-2,5-dio...","","COC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)OC)Cl)Cl","LPCKQFWXVFWOJI-UHFFFAOYSA-N","1179343",NA,"PDBC39314","730202","Present"
-"Methyl 4-((3-oxo-3-(4-toluidino)propanoyl)hydrazono)-4H-chromene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-((3-oxo-3-(4-toluidino)propanoyl)hydrazono)-4H-chromene-2-carboxylate","","CC1=CC=C(C=C1)NC(=O)CC(=O)NN=C2C=C(OC3=CC=CC=C32)C(=O)OC","KNBWLAJELSZZCK-XQNSMLJCSA-N","9571355",NA,"PDBC39315","647946","Present"
-"Methyl 4-((5-imino-4,5-dihydro-1H-1,2,4-triazol-3-yl)(methyl)amino)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-((5-imino-4,5-dihydro-1H-1,2,4-triazol-3-yl)(methyl)amino)butanoate","","CN(CCCC(=O)OC)C1=NNC(=N1)N","HLCUXOLUMPPJHT-UHFFFAOYSA-N","375251",NA,"PDBC39316","654640","Present"
-"Methyl 4-((6-hydroxy-9H-purin-2-yl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-((6-hydroxy-9H-purin-2-yl)amino)benzoate","","COC(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)NC=N3","NTDDDDAKZSTFIS-UHFFFAOYSA-N","135440027",NA,"PDBC39317","685821","Present"
-"Methyl 4-((6-methoxy-1,3-benzothiazol-2-yl)amino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-((6-methoxy-1,3-benzothiazol-2-yl)amino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3=NC4=CC=CC=C4N=C3)C(=O)OC","CSKSCPISDXDWDO-UHFFFAOYSA-N","370973",NA,"PDBC39318","644778","Present"
-"Methyl 4-((diisopropylamino)carbonyl)-1-cubanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-((diisopropylamino)carbonyl)-1-cubanecarboxylate","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)OC","KFBVQERYTLADNP-UHFFFAOYSA-N","369203",NA,"PDBC39319","640909","Present"
-"Methyl 4-((dimethylamino)methylene)-5-thioxo-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-((dimethylamino)methylene)-5-thioxo-2-pyrrolidinecarboxylate","","CN(C)C=C1CC(NC1=S)C(=O)OC","SEOGUMAXOKMHEU-WAYWQWQTSA-N","3005350",NA,"PDBC39320","693717","Present"
-"Methyl 4-((phenylsulfonyl)methyl)benzoate","","","","","","","","","","","","","","","","","","","","KWNRUGXHMFZYBW-UHFFFAOYSA-N","","COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2","KWNRUGXHMFZYBW-UHFFFAOYSA-N","364981",NA,"PDBC39321","631883","Present"
-"Methyl 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate","","CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC","OLRVJGHTEQBRGJ-UHFFFAOYSA-N","391365",NA,"PDBC39322","690396","Present"
-"Methyl 4-(2,2-dicyanovinyl)benzoate","","","","","","","","","","","","","","","","","","","","4-Carbomethoxybenzylidene malononitrile","","COC(=O)C1=CC=C(C=C1)C=C(C#N)C#N","FBOCHORMPUIPSN-UHFFFAOYSA-N","370248",NA,"PDBC39323","643021","Present"
-"Methyl 4-(2,3-dihydro-1H-inden-5-yl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2,3-dihydro-1H-inden-5-yl)butanoate","","COC(=O)CCCC1=CC2=C(CCC2)C=C1","ANNMRZKVFBPRIB-UHFFFAOYSA-N","382784",NA,"PDBC39324","670462","Present"
-"Methyl 4-(2,3-dimethylanilino)-2,4-dioxo-3-(3-oxo-4H-1,4-benzothiazin-2-yl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2,3-dimethylanilino)-2,4-dioxo-3-(3-oxo-4H-1,4-benzothiazin-2-yl)butanoate","","CC1=C(C(=CC=C1)NC(=O)C(C2C(=O)NC3=CC=CC=C3S2)C(=O)C(=O)OC)C","VRWUFOWKVHBEPN-UHFFFAOYSA-N","366854",NA,"PDBC39325","635833","Present"
-"Methyl 4-(2,4-bis(hydroxy(oxido)amino)anilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2,4-dinitroanilino)-2-[(3-hydroxyquinoxalin-2-yl)methyl]-3,4-dioxo-butanoate","","COC(=O)C(CC1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","NOXQZKBPFDABGM-UHFFFAOYSA-N","369831",NA,"PDBC39326","642028","Present"
-"Methyl 4-(2,4-dichloroanilino)-2-(diethoxyphosphoryl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2,4-dichloroanilino)-2-(diethoxyphosphoryl)-3,4-dioxobutanoate","","CCOP(=O)(C(C(=O)C(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)OC)OCC","WUPIDXQOYUEVQZ-UHFFFAOYSA-N","369550",NA,"PDBC39327","641411","Present"
-"Methyl 4-(2,4-dimethylanilino)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2,4-dimethylanilino)-2-(3-hydroxy-6-nitro-quinoxalin-2-yl)-3,4-dioxo-butanoate","","CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC)C","BMHSUUWBFKIQTK-UHFFFAOYSA-N","370936",NA,"PDBC39328","644741","Present"
-"Methyl 4-(2,4-dimethylanilino)-2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2,4-dimethylanilino)-2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-butanoate","","CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=CSC(=N2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)C","DCRXTSKMUJEZLD-UHFFFAOYSA-N","370985",NA,"PDBC39329","644791","Present"
-"Methyl 4-(2,5-dichloroanilino)-3-hydrazono-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl (3Z)-4-(2,5-dichloroanilino)-3-hydrazinylidene-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate","","COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=NN)C(=O)NC3=C(C=CC(=C3)Cl)Cl","VRDYVBUXWBMQOP-QQXSKIMKSA-N","9571294",NA,"PDBC39330","641435","Present"
-"Methyl 4-(2,5-dichloroanilino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","CBMicro_021323","","COC(=O)CCC(=O)NC1=C(C=CC(=C1)Cl)Cl","SIGQHBKVTTZWGQ-UHFFFAOYSA-N","366182",NA,"PDBC39331","634509","Present"
-"Methyl 4-(2,5-dimethylanilino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","CBMicro_019687","","CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)OC","VKDSCVMZULZEKS-UHFFFAOYSA-N","366157",NA,"PDBC39332","634484","Present"
-"Methyl 4-(2,6-dichloro-4-(hydroxy(oxido)amino)anilino)-2-(3-hydroxy-6,7-dimethyl-2-quinoxalinyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2,6-dichloro-4-nitroanilino)-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-3,4-dioxobutanoate","","CC1=CC2=C(C=C1C)N=C(C(=O)N2)C(C(=O)C(=O)NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)C(=O)OC","HDRHMMVVMTWOGA-UHFFFAOYSA-N","370937",NA,"PDBC39333","644742","Present"
-"Methyl 4-(2,6-dichloro-4-(hydroxy(oxido)amino)anilino)-3-(hydroxyamino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2,6-dichloro-4-nitroanilino)-3-(hydroxyamino)-4-oxo-2-[(3-oxo-4H-quinoxalin-2-yl)methyl]butanoate","","COC(=O)C(CC1=NC2=CC=CC=C2NC1=O)C(C(=O)NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)NO","DLFSBODNONZSHV-UHFFFAOYSA-N","369542",NA,"PDBC39334","641403","Present"
-"Methyl 4-(2,6-diisopropylanilino)-3,4-dioxo-2-(2-oxo-2-(4-toluidino)ethyl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2,6-diisopropylanilino)-3,4-dioxo-2-(2-oxo-2-(4-toluidino)ethyl)butanoate","","CC1=CC=C(C=C1)NC(=O)CC(C(=O)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)C(=O)OC","AIVPBQFJQLZJJC-UHFFFAOYSA-N","366760",NA,"PDBC39335","635533","Present"
-"Methyl 4-(2,6-dimethylanilino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2,6-dimethylanilino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3N=C2)C(=O)OC","BFAYDCLEUORUPP-UHFFFAOYSA-N","370952",NA,"PDBC39336","644757","Present"
-"Methyl 4-(2-(2,5-dihydroxyphenyl)ethyl)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[2-(2,5-dihydroxyphenyl)ethyl]-, methyl ...","","COC(=O)C1=CC=C(C=C1)CCC2=C(C=CC(=C2)O)O","RNNJTHBMRWCVPA-UHFFFAOYSA-N","387402",NA,"PDBC39337","681152","Present"
-"Methyl 4-(2-(2,5-dihydroxyphenyl)vinyl)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[2-[2,5-dihydroxyphenyl]ethenyl]-, methy...","","COC(=O)C1=CC=C(C=C1)C=CC2=C(C=CC(=C2)O)O","LGDMRZNFTVQINZ-QPJJXVBHSA-N","5468975",NA,"PDBC39338","680561","Present"
-"Methyl 4-(2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)-ethyl...","","COC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C=CC2=O","BTNNCURRMDNBNL-UHFFFAOYSA-N","387145",NA,"PDBC39339","680649","Present"
-"Methyl 4-(2-(4-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[2-[4-bromo-3,6-dioxo-1,4-cyclohexadienyl]ethyl...","","COC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C(=CC2=O)Br","PDYFADHVQVCWHT-UHFFFAOYSA-N","389287",NA,"PDBC39340","685105","Present"
-"Methyl 4-(2-(allyloxy)ethyl)-3-oxo-6-heptenoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-(allyloxy)ethyl)-3-oxo-6-heptenoate","","COC(=O)CC(=O)C(CCOCC=C)CC=C","NYICBDVKJQJALA-UHFFFAOYSA-N","373310",NA,"PDBC39341","649456","Present"
-"Methyl 4-(2-(phenylsulfonyl)vinyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-(phenylsulfonyl)vinyl)benzoate","","COC(=O)C1=CC=C(C=C1)C=CS(=O)(=O)C2=CC=CC=C2","SEBVLNSOLFYBST-VAWYXSNFSA-N","5388094",NA,"PDBC39342","631809","Present"
-"Methyl 4-(2-acetylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-acetylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate","","CC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","NWTHLIWIZUXDIM-UHFFFAOYSA-N","369265",NA,"PDBC39343","640996","Present"
-"Methyl 4-(2-adamantylamino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-adamantylamino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate","","COC(=O)C(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C(=O)NC2C3CC4CC(C3)CC2C4","NSKIGJAJCKPNME-UHFFFAOYSA-N","364313",NA,"PDBC39344","630331","Present"
-"Methyl 4-(2-adamantylamino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Z284136310","","COC(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3","QHDRJRSNUXDCSU-UHFFFAOYSA-N","366520",NA,"PDBC39345","635129","Present"
-"Methyl 4-(2-aminoethylamino)-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-aminoethylamino)-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;hydrochloride","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=C4C=C(N5)C(=O)OC)NCCN)CCl)OC)OC.Cl","VATFORKEFUIOMK-UHFFFAOYSA-N","396194",NA,"PDBC39346","701745","Present"
-"Methyl 4-(2-chloro-5-(trifluoromethyl)anilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl-4-(2-chloro-5-(trifluoromethyl)phenyl amino)-2-((...","","COC(=O)C(CC1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl","YDNCGIHJMIZJEE-UHFFFAOYSA-N","372936",NA,"PDBC39347","648648","Present"
-"Methyl 4-(2-cyanoanilino)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-cyanoanilino)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxobutanoate","","COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=CC=C3C#N","QMUAXERUCRHCGR-UHFFFAOYSA-N","372923",NA,"PDBC39348","648635","Present"
-"Methyl 4-(2-ethoxyanilino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-ethoxyanilino)-4-oxobutanoate","","CCOC1=CC=CC=C1NC(=O)CCC(=O)OC","XPJHEDZGXNICLS-UHFFFAOYSA-N","366960",NA,"PDBC39349","636122","Present"
-"Methyl 4-(2-ethyl-6-isopropylanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-ethyl-6-isopropylanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(CC2=NC3=CC=CC=C3NC2=O)C(=O)OC","HIZPXEKYWKIHGU-UHFFFAOYSA-N","369798",NA,"PDBC39350","641991","Present"
-"Methyl 4-(2-iodo(methyl)anilino)-3-methyl-4-oxo-2-butenoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-iodo(methyl)anilino)-3-methyl-4-oxo-2-butenoate","","CC(=CC(=O)OC)C(=O)N(C)C1=CC=CC=C1I","CJFVBTXRFGQXTK-CMDGGOBGSA-N","5469949",NA,"PDBC39351","694677","Present"
-"Methyl 4-(2-isopropylanilino)-3,4-dioxo-2-(2-oxo-2-(4-toluidino)ethyl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-isopropylanilino)-3,4-dioxo-2-(2-oxo-2-(4-toluidino)ethyl)butanoate","","CC1=CC=C(C=C1)NC(=O)CC(C(=O)C(=O)NC2=CC=CC=C2C(C)C)C(=O)OC","LIWDZMHYWVWDLL-UHFFFAOYSA-N","366774",NA,"PDBC39352","635547","Present"
-"Methyl 4-(2-methyl-1-aziridinyl)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-methyl-1-aziridinyl)-4-oxobutanoate","","CC1CN1C(=O)CCC(=O)OC","WXDSVKZIHNLBES-UHFFFAOYSA-N","373290",NA,"PDBC39353","649441","Present"
-"Methyl 4-(2-sec-butyl-6-ethylanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-sec-butyl-6-ethylanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate","","CCC1=C(C(=CC=C1)C(C)CC)NC(=O)C(=O)C(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)OC","UBQZHEJNYHWBDO-UHFFFAOYSA-N","366310",NA,"PDBC39354","634660","Present"
-"Methyl 4-(2-tert-butyl-6-methylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(2-tert-butyl-6-methylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","ITBXDEYYSLVXDZ-UHFFFAOYSA-N","372915",NA,"PDBC39355","648627","Present"
-"Methyl 4-(3,4-dichloroanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(3,4-dichloroanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate","","COC(=O)C(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl","GZJNZEIEHIZICR-UHFFFAOYSA-N","364312",NA,"PDBC39356","630330","Present"
-"Methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-6,7-dimethoxy-3,4-dihydronaphthalene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-6,7-dimethoxy-3,4-dihydronaphthalene-2-carboxylate","","COC1=C(C=C(C=C1)C2CC(=C(C3=CC(=C(C=C23)OC)OC)O)C(=O)OC)OC","MSQSANFQTDQCCM-UHFFFAOYSA-N","54676223",NA,"PDBC39357","621966","Present"
-"Methyl 4-(3,4-dimethylanilino)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3-(methylhydrazono)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl (3Z)-4-(3,4-dimethylanilino)-3-(methylhydrazinylidene)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate","","CC1=C(C=C(C=C1)NC(=O)C(=NNC)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC)C","GRAXNVGMRWCEGC-DIBXZPPDSA-N","9571284",NA,"PDBC39358","640972","Present"
-"Methyl 4-(3-methoxyanilino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(3-methoxyanilino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate","","COC1=CC=CC(=C1)NC(=O)C(=O)C(C2=NC3=CC=CC=C3N=C2)C(=O)OC","FOTPNUOZCOGOTR-UHFFFAOYSA-N","370955",NA,"PDBC39359","644760","Present"
-"Methyl 4-(3-methoxyphenyl)-2,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","STK312947","","COC1=CC=CC(=C1)C(=O)CC(=O)C(=O)OC","WFBPPBRBWLJXTK-UHFFFAOYSA-N","308120",NA,"PDBC39360","208706","Present"
-"Methyl 4-(3-thiophen-2-ylquinoxalin-2-yl)oxybenzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[3-(2-thienyl)quinoxalin-2-yl]oxybenzoate","","COC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CS4","LAPAPGUYNQCART-UHFFFAOYSA-N","388002",NA,"PDBC39361","682365","Present"
-"Methyl 4-(4-allyloxy-3-methoxy-phenyl)-3,6-dihydroxy-6-methyl-2,4,5,7-tetrahydroindazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-hydroxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate","","CC1(CC2=C(C(C1C(=O)OC)C3=CC(=C(C=C3)OCC=C)OC)C(=O)NN2)O","AZPFPGITHOVFNR-UHFFFAOYSA-N","392848",NA,"PDBC39362","693860","Present"
-"Methyl 4-(4-amino-2-(hydroxy(oxido)amino)anilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(4-amino-2-nitro-anilino)-2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-3,4-dioxo-butanoate","","COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)N)[N+](=O)[O-]","OZVPNBFAEZUYSK-UHFFFAOYSA-N","4662144",NA,"PDBC39363","641000","Present"
-"Methyl 4-(4-bromoanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(4-bromoanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate","","COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)Br","AVPUTFDJZWJUFA-UHFFFAOYSA-N","369262",NA,"PDBC39364","640993","Present"
-"Methyl 4-(4-bromophenyl)-2-(2-(diphenylmethylene)hydrazino)-4-oxo-2-butenoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(4-bromophenyl)-2-(2-(diphenylmethylene)hydrazino)-4-oxo-2-butenoate","","COC(=O)C(=CC(=O)C1=CC=C(C=C1)Br)NN=C(C2=CC=CC=C2)C3=CC=CC=C3","QOGIMCRHQFGYQR-LTGZKZEYSA-N","6477401",NA,"PDBC39365","658710","Present"
-"Methyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate","","CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=O)OC","USCBWLOUGYDXQV-UHFFFAOYSA-N","361068",NA,"PDBC39366","623872","Present"
-"Methyl 4-(4-fluoroanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(4-fluoroanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate","","COC(=O)C(CC1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)F","FDGBLPYHPVKNQR-UHFFFAOYSA-N","371994",NA,"PDBC39367","646810","Present"
-"Methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-(2-iodo-3,4,5-trimethoxybenzyl)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-(2-iodo-3,4,5-trimethoxybenzyl)-4-oxobutanoate","","COC1=C(C(=C(C(=C1)CC(CC(=O)C2=CC3=C(C=C2I)OCO3)C(=O)OC)I)OC)OC","KNNVJBLVTPIQRO-UHFFFAOYSA-N","372642",NA,"PDBC39368","648096","Present"
-"Methyl 4-(acetyloxy)-5,8-dimethoxy-2-naphthoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(acetyloxy)-5,8-dimethoxy-2-naphthoate","","CC(=O)OC1=CC(=CC2=C(C=CC(=C12)OC)OC)C(=O)OC","NUCVDHNQGBLXRH-UHFFFAOYSA-N","361846",NA,"PDBC39369","625162","Present"
-"Methyl 4-(benzyloxycarbonylamino)-3-[(4-methoxyphenyl)methoxy]butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-(benzyloxycarbonylamino)-3-[(4-methoxyphenyl)methoxy]butanoate","","COC1=CC=C(C=C1)COC(CC(=O)OC)CNC(=O)OCC2=CC=CC=C2","DQPUSDNUQDLUNG-UHFFFAOYSA-N","390245",NA,"PDBC39370","687537","Present"
-"Methyl 4-(ethylthio)-2-(4-methoxybenzyl)-2,5-dihydro-1H-pyrrole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-(ethylthio)-2-(4-methoxybenzyl)-2,5-dihydro-1H-pyrrole-1-carboxylate","","CCSC1=CC(N(C1)C(=O)OC)CC2=CC=C(C=C2)OC","RGANXAPVGHFFQT-UHFFFAOYSA-N","370809",NA,"PDBC39371","644331","Present"
-"Methyl 4-O,6-O-[(R)-benzylidene]-2,3-(3-pentene-1,5-diyl)-3-deoxy-alpha-D-glucopyranoside","","","","","","","","","","","","","","","","","","","","(1S,2S,4R,7R,9S,10R)-9-Methoxy-4-phenyl-3,5,8-trioxatricyclo[8.5.0.02,7]pentadec-13-en-10-ol","","COC1C2(CCC=CCC2C3C(O1)COC(O3)C4=CC=CC=C4)O","QEYSNQPKOJAAMW-UDFCFZJOSA-N","401675",NA,"PDBC39372","715405","Present"
-"Methyl 4-O-acetyl-2,6,-trideoxy-3-N-trifluoroacetamido-L-lyxo-hexopyranoside","","","","","","","","","","","","","","","","","","","","Methyl 4-O-acetyl-2,3,6,-trideoxy-3-N-trifluoroacetamido...","","CC1C(C(CC(O1)OC)NC(=O)C(F)(F)F)OC(=O)C","XMAFQPWDTCGCJH-UHFFFAOYSA-N","367307",NA,"PDBC39373","636874","Present"
-"Methyl 4-Piperidinyl-5-phenyl-1H-pyrazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-Piperidinyl-5-phenyl-1H-pyrazole-3-carboxylate","","COC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N3CCCCC3","JOZCSCJFWTYNLT-UHFFFAOYSA-N","406390",NA,"PDBC39374","724454","Present"
-"Methyl 4-[(1,4-dihydroxynaphthalen-2-yl)methylamino]benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[2-(1,4-dihydroxynaphthalenyl)methyl]am...","","COC(=O)C1=CC=C(C=C1)NCC2=C(C3=CC=CC=C3C(=C2)O)O","VCIGMSXFBWIQPP-UHFFFAOYSA-N","387584",NA,"PDBC39375","681541","Present"
-"Methyl 4-[(1,4-dioxonaphthalen-2-yl)methylamino]benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[2-(1,4-dioxonaphthalenyl)methyl]amino]...","","COC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C3=CC=CC=C3C2=O","JJDSELOYDNQKKK-UHFFFAOYSA-N","387487",NA,"PDBC39376","681288","Present"
-"Methyl 4-[(2,5-dimethoxyphenyl)methylamino]benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[(2,5-dimethoxyphenyl)methyl]amino]-, m...","","COC1=CC(=C(C=C1)OC)CNC2=CC=C(C=C2)C(=O)OC","GSJMLMKCMARLRA-UHFFFAOYSA-N","385330",NA,"PDBC39377","676448","Present"
-"Methyl 4-[(2-carbazol-9-ylacetyl)amino]-1-methylpyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(9h-carbazol-9-ylacetyl)amino]-1-methyl-1h-pyrrole-2-carboxylate","","CN1C=C(C=C1C(=O)OC)NC(=O)CN2C3=CC=CC=C3C4=CC=CC=C42","MCEWGRKQJJGVAX-UHFFFAOYSA-N","404101",NA,"PDBC39378","720222","Present"
-"Methyl 4-[(3,4,5-trimethoxybenzoyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","N-(4-Carbmethoxyphenyl)-3,4,5-Trimethoxy Benzamide","","COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)OC","IXKWTAAJCJAUIL-UHFFFAOYSA-N","364704",NA,"PDBC39379","631358","Present"
-"Methyl 4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-2-[2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxobutanoate","","COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","CMOZJHRSCJTGLV-UHFFFAOYSA-N","371547",NA,"PDBC39380","645876","Present"
-"Methyl 4-[(4-bromo-2,6-dimethylphenyl)amino]-2-(diethoxyphosphoryl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(4-bromo-2,6-dimethylphenyl)amino]-2-(diethoxyphosphoryl)-3,4-dioxobutanoate","","CCOP(=O)(C(C(=O)C(=O)NC1=C(C=C(C=C1C)Br)C)C(=O)OC)OCC","BWAYFKSLZWCBKV-UHFFFAOYSA-N","369549",NA,"PDBC39381","641410","Present"
-"Methyl 4-[(5-methyl-4,6-dioxo-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-2-yl)amino]-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(5-methyl-4,6-dioxo-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-2-yl)amino]-4-oxobutanoate","","CN1C(=O)N2CC3=CC=CC4=C3C(=CC=C4)C(N2C1=O)NC(=O)CCC(=O)OC","KSQBEQYLWTZYAJ-UHFFFAOYSA-N","391926",NA,"PDBC39382","691606","Present"
-"Methyl 4-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate","","COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC(=O)C4=CC=CC=C43","VIWCAFVJTHPCMM-UHFFFAOYSA-N","45028029",NA,"PDBC39383","740799","Present"
-"Methyl 4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]benzoate","","CC1=NN(C(=C1)N=CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3","HKFLGFZCYVFDIQ-DEDYPNTBSA-N","9572413",NA,"PDBC39384","715229","Present"
-"Methyl 4-[(E)-[(4-cyanophenoxy)methyl-methyl-amino]azo]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(E)-[(4-cyanophenoxy)methyl-methyl-amino]azo]benzoate","","CN(COC1=CC=C(C=C1)C#N)N=NC2=CC=C(C=C2)C(=O)OC","CYMNQFNTWQBCCZ-UHFFFAOYSA-N","380061",NA,"PDBC39385","665362","Present"
-"Methyl 4-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(Z)-(3-oxobenzofuran-2-ylidene)methyl]benzoate","","COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3O2","YLCDLTYEVOEKRA-GDNBJRDFSA-N","5467626",NA,"PDBC39386","657005","Present"
-"Methyl 4-[({4-[(1H-indol-3-ylacetyl)amino]-1-methyl-1H-pyrrol-2-yl}carbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-[[4-[[2-(1H-indol-3-yl)acetyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)OC)C)NC(=O)CC3=CNC4=CC=CC=C43","ZLKCIVZUTQUPIN-UHFFFAOYSA-N","404103",NA,"PDBC39387","720224","Present"
-"Methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate","","COC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl","KSJTZCVYIBPJOW-UHFFFAOYSA-N","280453",NA,"PDBC39388","132095","Present"
-"Methyl 4-[2,3-dihydro-1H-indol-2-yl-(4-methoxyphenyl)methyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-[2,3-dihydro-1H-indol-2-yl-(4-methoxyphenyl)methyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate","","CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)OC)O)N(C5=C4C=C(C(=C5)OC)C(C6CC7=CC=CC=C7N6)C8=CC=C(C=C8)OC)C","FFFPTBHPOIDPQZ-UHFFFAOYSA-N","398271",NA,"PDBC39389","707985","Present"
-"Methyl 4-[2-(1,3-dithiolan-2-yl)cyclopentyl]but-2-ynoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[2-(1,3-dithiolan-2-yl)cyclopentyl]but-2-ynoate","","COC(=O)C#CCC1CCCC1C2SCCS2","ZBZCWMFCMVVQJC-UHFFFAOYSA-N","359607",NA,"PDBC39390","620627","Present"
-"Methyl 4-[2-(4-bromo-2,5-dihydroxyphenyl)ethyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[2-[4-bromo-2,5-dihydroxyphenyl]ethyl]benzoate","","COC(=O)C1=CC=C(C=C1)CCC2=CC(=C(C=C2O)Br)O","QOUKJAZSKBNNGR-UHFFFAOYSA-N","388993",NA,"PDBC39391","684424","Present"
-"Methyl 4-[2-(4-methoxycarbonyl-1H-pyrrol-3-yl)ethyl]-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-[2-(4-methoxycarbonyl-1H-pyrrol-3-yl)ethyl]-1H-pyrrole-3-carboxylate","","COC(=O)C1=CNC=C1CCC2=CNC=C2C(=O)OC","ZDSBXPAUNYJILO-UHFFFAOYSA-N","361819",NA,"PDBC39392","625136","Present"
-"Methyl 4-[2-[3-(4-methoxy-4-oxo-butyl)-1H-indol-2-yl]-1H-indol-3-yl]butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[2-[3-(4-methoxy-4-oxo-butyl)-1H-indol-2-yl]-1H-indol-3-yl]butanoate","","COC(=O)CCCC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CCCC(=O)OC","ZNTBTLVGGWWYMV-UHFFFAOYSA-N","392236",NA,"PDBC39393","692369","Present"
-"Methyl 4-[2-[4,5-bis(hydrazinecarbonyl)triazol-1-yl]ethoxy]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[2-[4,5-bis(hydrazinecarbonyl)triazol-1-yl]ethoxy]benzoate","","COC(=O)C1=CC=C(C=C1)OCCN2C(=C(N=N2)C(=O)NN)C(=O)NN","GDUZKJICZSNUFY-UHFFFAOYSA-N","386606",NA,"PDBC39394","679059","Present"
-"Methyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate","","CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CC=C2)NO)C(=O)OC","FHTZFTCYIJCKJC-UHFFFAOYSA-N","382113",NA,"PDBC39395","669506","Present"
-"Methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]-4-oxo-1,3-thiazolidin-2-yl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]-4-oxo-1,3-thiazolidin-2-yl]benzoate","","COC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)NC(=O)C(C3=CC=CC=C3)O","IVJIBZWEXLVCTM-UHFFFAOYSA-N","24205432",NA,"PDBC39396","735526","Present"
-"Methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]benzoate","","CC1C(=O)N(C(S1)C2=CC=C(C=C2)C(=O)OC)NC(=O)C(C3=CC=CC=C3)O","UUNJLWJJPWUFOH-UHFFFAOYSA-N","24205501",NA,"PDBC39397","736055","Present"
-"Methyl 4-[3-chloro-4-(3-chloro-2-methylanilino)-2,5-dihyd ro-1H-1-pyrrolylmethyl]benzoate","","","","","","","","","","","","","","","","","","","","methyl 4-[3-chloro-4-(3-chloro-2-methylanilino)-2,5-diox...","","CC1=C(C=CC=C1Cl)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)OC)Cl","JLWZRISWFXACIY-UHFFFAOYSA-N","1179905",NA,"PDBC39398","732800","Present"
-"Methyl 4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoate","","COC(=O)C1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","TZMSVUZPACUCMO-UHFFFAOYSA-N","384952",NA,"PDBC39399","675776","Present"
-"Methyl 4-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate","","","","","","","","","","","","","","","","","","","","methyl 4-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-...","","COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","SOTICQMTINROSO-UHFFFAOYSA-N","1194965",NA,"PDBC39400","732843","Present"
-"Methyl 4-[4-(4-methoxycarbonyl-1H-pyrrol-3-yl)butyl]-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-[4-(4-methoxycarbonyl-1H-pyrrol-3-yl)butyl]-1H-pyrrole-3-carboxylate","","COC(=O)C1=CNC=C1CCCCC2=CNC=C2C(=O)OC","CWZAEYQGZICMST-UHFFFAOYSA-N","361820",NA,"PDBC39401","625137","Present"
-"Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate","","CC1=C(C(NC(=S)N1)C2=C(C=C(C=C2)N(CCCl)CCCl)Cl)C(=O)OC","GNGWKBRASSHJEH-UHFFFAOYSA-N","4234697",NA,"PDBC39402","166051","Present"
-"Methyl 4-[5'-(4-methoxy-4-oxobutanoyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[5'-(4-methoxy-4-oxobutanoyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoate","","COC(=O)CCC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C=C(C=C4)C(=O)CCC(=O)OC)C=C1","GVTTXKYYMOVXNU-UHFFFAOYSA-N","382746",NA,"PDBC39403","670424","Present"
-"Methyl 4-[5-(4-methoxy-4-oxo-butanoyl)-2,8-dimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl]-4-oxo-butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[5-(4-methoxy-4-oxobutanoyl)-2,8-dimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl]-4-oxobutanoate","","CC1=CC2=C(C=C1)N(CC3=C(C=CC(=C3)C)N(C2)C(=O)CCC(=O)OC)C(=O)CCC(=O)OC","BYNJBBIHDADPDN-UHFFFAOYSA-N","361907",NA,"PDBC39404","625319","Present"
-"Methyl 4-[[(4-bromophenoxy)methyl-methylamino]diazenyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[[(4-bromophenoxy)methyl-methylamino]diazenyl]benzoate","","CN(COC1=CC=C(C=C1)Br)N=NC2=CC=C(C=C2)C(=O)OC","DUPCSPIHKOWLPI-UHFFFAOYSA-N","363184",NA,"PDBC39405","627857","Present"
-"Methyl 4-[[2-(1H-indol-3-yl)acetyl]amino]-1-methylpyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(1h-indol-3-ylacetyl)amino]-1-methyl-1h-pyrrole-2-carboxylate","","CN1C=C(C=C1C(=O)OC)NC(=O)CC2=CNC3=CC=CC=C32","WHXQRSYIDARLMP-UHFFFAOYSA-N","404100",NA,"PDBC39406","720221","Present"
-"Methyl 4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-5-methoxy-5-oxopentanoyl)amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-amino-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-5-methoxy-5-oxopentanoyl)amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-o","","CC(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)N","VZHXSAQDXMWAPZ-UHFFFAOYSA-N","16129797",NA,"PDBC39407","668572","Present"
-"Methyl 4-[[2-cyanoethyl(methyl)amino]diazenyl]-5-methyl-1H-pyrazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-[[2-cyanoethyl(methyl)amino]diazenyl]-5-methyl-1H-pyrazole-3-carboxylate","","CC1=C(C(=NN1)C(=O)OC)N=NN(C)CCC#N","XZUIPIGSXPBROB-UHFFFAOYSA-N","279936",NA,"PDBC39408","131250","Present"
-"Methyl 4-[[3,5-bis[(4-methoxycarbonylphenyl)methyl]phenyl]methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[[3,5-bis[(4-methoxycarbonylphenyl)methyl]phenyl]methyl]benzoate","","COC(=O)C1=CC=C(C=C1)CC2=CC(=CC(=C2)CC3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)C(=O)OC","WUKYEICHYLOLQT-UHFFFAOYSA-N","393216",NA,"PDBC39409","694704","Present"
-"Methyl 4-[[methyl-[(4-nitrophenoxy)methyl]amino]diazenyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[[methyl-[(4-nitrophenoxy)methyl]amino]diazenyl]benzoate","","CN(COC1=CC=C(C=C1)[N+](=O)[O-])N=NC2=CC=C(C=C2)C(=O)OC","WEZZLRGFYXSRCN-UHFFFAOYSA-N","363185",NA,"PDBC39410","627858","Present"
-"Methyl 4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,5-dihydro-1H-s-indacene]-4'-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,5-dihydro-1H-s-indacene]-4'-carboxylate","","CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=CC6=C(CC=C6)C(=C5C4)C(=O)OC","ZYYVJLQEELHLTG-UHFFFAOYSA-N","384721",NA,"PDBC39411","674957","Present"
-"Methyl 4-amino-2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-3,4-dioxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-amino-2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-3,4-dioxobutanoate","","COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)N","VIAAEKKFZBLEJO-UHFFFAOYSA-N","370968",NA,"PDBC39412","644773","Present"
-"Methyl 4-amino-4-oxobut-2-ynoate","","","","","","","","","","","","","","","","","","","","Methyl 4-amino-4-oxobut-2-ynoate","","COC(=O)C#CC(=O)N","AQKCWIBXLHFMFV-UHFFFAOYSA-N","288678",NA,"PDBC39413","149967","Present"
-"Methyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate","","CC1(C=C(C(=O)N1C2=CC=CC=C2)NC3=CC=CC=C3)C(=O)OC","BOHUAQRCGHGMHG-UHFFFAOYSA-N","366177",NA,"PDBC39414","634504","Present"
-"Methyl 4-azido-6-oxo-1-phenyl-pyridazine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-azido-6-oxo-1-phenyl-pyridazine-3-carboxylate","","COC(=O)C1=NN(C(=O)C=C1N=[N+]=[N-])C2=CC=CC=C2","HMMPPCZOBHWJEZ-UHFFFAOYSA-N","375230",NA,"PDBC39415","654621","Present"
-"Methyl 4-bromo-5-(trichloroacetyl)-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-bromo-5-(trichloroacetyl)-1H-pyrrole-2-carboxylate","","COC(=O)C1=CC(=C(N1)C(=O)C(Cl)(Cl)Cl)Br","ANVXTFVLALAIBQ-UHFFFAOYSA-N","392539",NA,"PDBC39416","693055","Present"
-"Methyl 4-chloro-5-methoxy-3-isothiazolecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-chloro-5-methoxy-3-isothiazolecarboxylate","","COC1=C(C(=NS1)C(=O)OC)Cl","XDZIXYYJTALXDL-UHFFFAOYSA-N","379921",NA,"PDBC39417","665113","Present"
-"Methyl 4-chloro-N-cyclohexylcarbonylanthranilate","","","","","","","","","","","","","","","","","","","","OVIZECCRTFGJFQ-UHFFFAOYSA-N","","COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CCCCC2","OVIZECCRTFGJFQ-UHFFFAOYSA-N","362496",NA,"PDBC39418","626519","Present"
-"Methyl 4-cyano-11-oxo-2,3,5,11-tetrahydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-cyano-11-oxo-2,3,5,11-tetrahydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-1-carboxylate","","COC(=O)C1CCC2=C1C(=O)N3C4=CC=CC=C4NC3=C2C#N","OFRFEEJMQYIEIW-UHFFFAOYSA-N","373490",NA,"PDBC39419","649897","Present"
-"Methyl 4-cyano-3,3-dimethyl-1-phenyl-2-azaspiro[4.5]dec-1-ene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-cyano-3,3-dimethyl-1-phenyl-2-azaspiro[4.5]dec-1-ene-4-carboxylate","","CC1(C(C2(CCCCC2)C(=N1)C3=CC=CC=C3)(C#N)C(=O)OC)C","GRQANFTXFIIASA-UHFFFAOYSA-N","388278",NA,"PDBC39420","682919","Present"
-"Methyl 4-cyano-4-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3,4-diphenylbutanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-cyano-4-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3,4-diphenylbutanoate","","CC1C(OP(=O)(N1C)OC(C#N)(C2=CC=CC=C2)C(CC(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4","DFOVTJPPUTYXFX-UHFFFAOYSA-N","400235",NA,"PDBC39421","711753","Present"
-"Methyl 4-formyl-5-methylsulfanyl-2,3-dihydro-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-formyl-5-methylsulfanyl-2,3-dihydro-1H-pyrrole-2-carboxylate","","COC(=O)C1CC(=C(N1)SC)C=O","NWUWWIACMRPGEF-UHFFFAOYSA-N","392804",NA,"PDBC39422","693723","Present"
-"Methyl 4-hydroxy-1-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinoline-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-hydroxy-1-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinoline-4-carboxylate","","CN1CCC2C1=NC3=CC=CC=C3C2(C(=O)OC)O","WESWVYGRSHTJGF-UHFFFAOYSA-N","368401",NA,"PDBC39423","639395","Present"
-"Methyl 4-hydroxy-2-((2-hydroxyethyl)(methyl)amino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-hydroxyethyl(methyl)amino]-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate","","CN(CCO)C1=NC2=C(CCN(C2)C(=O)OC)C(=O)N1","OIXLLXKUECLEBI-UHFFFAOYSA-N","135408991",NA,"PDBC39424","652574","Present"
-"Methyl 4-hydroxy-2-methoxybenzenecarbodithioate","","","","","","","","","","","","","","","","","","","","Methyl 4-hydroxy-2-methoxybenzenecarbodithioate","","COC1=C(C=CC(=C1)O)C(=S)SC","FZFAKKZFYSCZEJ-UHFFFAOYSA-N","324995",NA,"PDBC39425","292256","Present"
-"Methyl 4-hydroxy-2-quinazolinylcarbamate","","","","","","","","","","","","","","","","","","","","Methyl 4-hydroxy-2-quinazolinylcarbamate","","COC(=O)NC1=NC2=CC=CC=C2C(=O)N1","GJYUSVQLZUWFLI-UHFFFAOYSA-N","135429915",NA,"PDBC39426","601348","Present"
-"Methyl 4-iodocubane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-iodo-1-cubanecarboxylate","","COC(=O)C12C3C4C1C5C2C3C45I","YAHYLPAQBZZHKI-UHFFFAOYSA-N","369180",NA,"PDBC39427","640886","Present"
-"Methyl 4-isobutyl-9H-carbazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-isobutyl-9H-carbazole-2-carboxylate","","CC(C)CC1=C2C3=CC=CC=C3NC2=CC(=C1)C(=O)OC","GEBFDDFMAUTQHN-UHFFFAOYSA-N","373651",NA,"PDBC39428","650371","Present"
-"Methyl 4-methyl-2,3,5-trioxoheptanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2,3,5-trioxoheptanoate","","CCC(=O)C(C)C(=O)C(=O)C(=O)OC","QXEONMGGBQKFDY-UHFFFAOYSA-N","367363",NA,"PDBC39429","637002","Present"
-"Methyl 4-methyl-2,3-dihydro-1H-indene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2,3-dihydro-1H-indene-2-carboxylate","","CC1=C2CC(CC2=CC=C1)C(=O)OC","OBIBMKREFYBXNB-UHFFFAOYSA-N","385668",NA,"PDBC39430","677014","Present"
-"Methyl 4-methyl-2-((5-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-((5-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate","","CC1=CC2=C(C=C1)C(=O)C(C2)CC3=C(C=CC(=C3)C)C(=O)OC","UYFYCVUJYGALAZ-UHFFFAOYSA-N","382691",NA,"PDBC39431","670339","Present"
-"Methyl 4-methyl-2-((6-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-((6-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate","","CC1=CC(=C(C=C1)C(=O)OC)CC2CC3=C(C2=O)C=C(C=C3)C","HJGINFZMIWBFAQ-UHFFFAOYSA-N","385695",NA,"PDBC39432","677041","Present"
-"Methyl 4-methyl-2-(3-methylbenzyl)-1-oxo-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-(3-methylbenzyl)-1-oxo-2-indanecarboxylate","","CC1=CC(=CC=C1)CC2(CC3=C(C=CC=C3C2=O)C)C(=O)OC","HJGFYQXOEBLVQM-UHFFFAOYSA-N","385673",NA,"PDBC39433","677019","Present"
-"Methyl 4-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate","","CC1=CC=C(C=C1)CC2(CC3=C(C=CC=C3C2=O)C)C(=O)OC","ARTIHSBJXAJKOT-UHFFFAOYSA-N","385671",NA,"PDBC39434","677017","Present"
-"Methyl 4-methyl-2-[(7-methyl-1-oxo-indan-2-yl)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-[(7-methyl-1-oxo-indan-2-yl)methyl]benzoate","","CC1=CC(=C(C=C1)C(=O)OC)CC2CC3=CC=CC(=C3C2=O)C","DVUKZJNVUYOLOY-UHFFFAOYSA-N","385697",NA,"PDBC39435","677043","Present"
-"Methyl 4-methyl-2-[(E)-(6-methyl-1-oxo-indan-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-[(E)-(6-methyl-1-oxo-indan-2-ylidene)methyl]benzoate","","CC1=CC(=C(C=C1)C(=O)OC)C=C2CC3=C(C2=O)C=C(C=C3)C","MJNRKSHLQOHWHA-LFIBNONCSA-N","5912533",NA,"PDBC39436","678378","Present"
-"Methyl 4-methyl-2-[[3-methyl-2-[[2-[[2-methyl-2-[[4-methyl-2-[[2-[[2-[[2-methyl-2-[[4-methyl-2-[[2-[[2-methyl-2-(octanoylamino)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]pentanoyl]amino]pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-[[3-methyl-2-[[2-[[2-methyl-2-[[4-methyl-2-[[2-[[2-[[2-methyl-2-[[4-methyl-2-[[2-[[2-methyl-2-(octanoylamino)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]pentanoyl]am","","CCCCCCCC(=O)NC(C)(C)C(=O)NC(COC(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(COC(C)(C)C)C(=O)NC(COC(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(COC(C)(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)OC","RFNPENFVYHIDSS-UHFFFAOYSA-N","402879",NA,"PDBC39437","717181","Present"
-"Methyl 4-methyl-2-oxocyclohexane-1-carboxylate","","","","","","","","","","","","","","","","","","","","4-Methyl-2-oxocyclohexanecarboxylic acid methyl ester","","CC1CCC(C(=O)C1)C(=O)OC","HJVVHNOHVUFRKU-UHFFFAOYSA-N","359301",NA,"PDBC39438","620049","Present"
-"Methyl 4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carboxylate","","COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)C(=O)OC","RUJGLXSZNDOIME-UHFFFAOYSA-N","372421",NA,"PDBC39439","647470","Present"
-"Methyl 4-oxo-3-(phenylthio)cyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-oxo-3-(phenylthio)cyclohexanecarboxylate","","COC(=O)C1CCC(=O)C(C1)SC2=CC=CC=C2","BMCGYPHJLBAOLQ-UHFFFAOYSA-N","364920",NA,"PDBC39440","631807","Present"
-"Methyl 4-oxo-3-(trifluoromethylsulfonyloxy)-6,7,8,9-tetrahydroquinolizine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-oxo-3-(trifluoromethylsulfonyloxy)-6,7,8,9-tetrahydroquinolizine-1-carboxylate","","COC(=O)C1=C2CCCCN2C(=O)C(=C1)OS(=O)(=O)C(F)(F)F","TWCDXKKBEKUMFU-UHFFFAOYSA-N","394441",NA,"PDBC39441","697917","Present"
-"Methyl 4-oxo-3a-phenyl-2,3,3a,4-tetrahydroisoxazolo[2,3-a]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-oxo-3a-phenyl-2,3,3a,4-tetrahydroisoxazolo[2,3-a]indole-2-carboxylate","","COC(=O)C1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=CC=C4","GFQYNECCRXYLTN-UHFFFAOYSA-N","374521",NA,"PDBC39442","652272","Present"
-"Methyl 4-oxo-4-(2,2'-spirobi[indane]-5'-yl)butanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-oxo-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)butanoate","","COC(=O)CCC(=O)C1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1","YBVFROAFJDNDDP-UHFFFAOYSA-N","382741",NA,"PDBC39443","670419","Present"
-"Methyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate","","","","","","","","","","","","","","","","","","","","STK439738","","COC(=O)CCC(=O)NC1=CC=CC(=C1)C(F)(F)F","VXFSECSCKBYNJV-UHFFFAOYSA-N","366521",NA,"PDBC39444","635130","Present"
-"Methyl 4-oxo-5-(1-oxohexahydro-1H-pyrrolizin-3-yl)pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-oxo-5-(1-oxohexahydro-1H-pyrrolizin-3-yl)pentanoate","","COC(=O)CCC(=O)CC1CC(=O)C2N1CCC2","IZNMOJCCYVRCIZ-UHFFFAOYSA-N","361482",NA,"PDBC39445","624519","Present"
-"Methyl 4-oxo-5H-furo[2,3-b][1,5]benzothiazepine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-oxo-5H-furo[2,3-b][1,5]benzothiazepine-2-carboxylate","","COC(=O)C1=CC2=C(O1)SC3=CC=CC=C3NC2=O","VHQVBVAKNHBELC-UHFFFAOYSA-N","390887",NA,"PDBC39446","688998","Present"
-"Methyl 4a-acetyloxy-5-benzyl-2,6,11-trioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4a-acetyloxy-5-benzyl-2,6,11-trioxobenzo[b]carbazole-1-carboxylate","","CC(=O)OC12C=CC(=O)C(=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)C(=O)OC","FBWOAFHQKYREPM-UHFFFAOYSA-N","24203339",NA,"PDBC39447","727572","Present"
-"Methyl 5,10,11-trimethylpyrido[3,4-b]carbazole-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5,10,11-trimethyl-10H-pyrido[3,4-b]carbazole-7-ca...","","CC1=C2C=CN=CC2=C(C3=C1C4=C(N3C)C=CC(=C4)C(=O)OC)C","RFXVBBMZXZDZQA-UHFFFAOYSA-N","155816802",NA,"PDBC39448","790102","Present"
-"Methyl 5,11-dimethyl-1,5a,6,10b-tetrahydropyrido[4,3-b]carbazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5,11-dimethyl-1,5a,6,10b-tetrahydro-2H-pyrido[4,3-b]carbazole-2-carboxylate","","CC1=C2CN(C=CC2=C(C3C1C4=CC=CC=C4N3)C)C(=O)OC","FWRYTVSLYZDBJX-UHFFFAOYSA-N","370277",NA,"PDBC39449","643123","Present"
-"Methyl 5,6-bis(phenylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5,6-bis(phenylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate","","COC(=O)C1=CC2CC1C(C2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","HFPFDNPWRBBKBQ-UHFFFAOYSA-N","372432",NA,"PDBC39450","647546","Present"
-"Methyl 5,6-dihydroxynaphthalene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5,6-dihydroxynaphthalene-2-carboxylate","","COC(=O)C1=CC2=C(C=C1)C(=C(C=C2)O)O","OHWJXNLECYLABW-UHFFFAOYSA-N","383146",NA,"PDBC39451","671187","Present"
-"Methyl 5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate","","COC1=C2CCC(C(=O)C2=C(C=C1)OC)C(=O)OC","HFQHUHXPGVUQIB-UHFFFAOYSA-N","361676",NA,"PDBC39452","624894","Present"
-"Methyl 5-(((2-(1H-indol-3-yl)ethyl)amino)methyl)-3-isoxazolecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(((2-(1H-indol-3-yl)ethyl)amino)methyl)-3-isoxazolecarboxylate","","COC(=O)C1=NOC(=C1)CNCCC2=CNC3=CC=CC=C32","UEUUQAZCLMAQOG-UHFFFAOYSA-N","372104",NA,"PDBC39453","646978","Present"
-"Methyl 5-((2-ethoxy-2-oxoethyl)thio)-4-methoxy-2-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-((2-ethoxy-2-oxoethyl)thio)-4-methoxy-2-pyrrolidinecarboxylate","","CCOC(=O)CSC1C(CC(N1)C(=O)OC)OC","IBWZRQAAHKXHOY-UHFFFAOYSA-N","392794",NA,"PDBC39454","693715","Present"
-"Methyl 5-((4-(methylamino)-4-oxobutyl)amino)-5-oxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-((4-(methylamino)-4-oxobutyl)amino)-5-oxopentanoate","","CNC(=O)CCCNC(=O)CCCC(=O)OC","VHTARZGUYLLZEY-UHFFFAOYSA-N","391822",NA,"PDBC39455","691409","Present"
-"Methyl 5-((methylsulfonyl)amino)-5-oxo-2-pentenoate","","","","","","","","","","","","","","","","","","","","Methyl 5-((methylsulfonyl)amino)-5-oxo-2-pentenoate","","COC(=O)C=CCC(=O)NS(=O)(=O)C","UDIATDIWUPAQKD-HWKANZROSA-N","5468066",NA,"PDBC39456","663594","Present"
-"Methyl 5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","COC1=CC(=CC(=C1OC)OC)C2CC(=C(O2)C3=CC4=C(C=C3)OCO4)C(=O)OC","HGFZONBJGTZYLO-UHFFFAOYSA-N","359011",NA,"PDBC39457","619223","Present"
-"Methyl 5-(1,3-benzothiazol-2-yl)-6-phenyl-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(1,3-benzothiazol-2-yl)-6-phenyl-2-thioxo-5,6-dihydro-1H-pyrimidine-4-carboxylate","","COC(=O)C1=NC(=S)NC(C1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4","ZBRZDYNVWPWRBQ-UHFFFAOYSA-N","3004027",NA,"PDBC39458","623061","Present"
-"Methyl 5-(1,3-benzoxazol-2-yl)-6-phenyl-2-thioxo-5,6-dihydro-1H-pyrimidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(1,3-benzoxazol-2-yl)-6-phenyl-2-thioxo-5,6-dihydro-1H-pyrimidine-4-carboxylate","","COC(=O)C1=NC(=S)NC(C1C2=NC3=CC=CC=C3O2)C4=CC=CC=C4","WMFBCIFZINVGQR-UHFFFAOYSA-N","3004185",NA,"PDBC39459","635427","Present"
-"Methyl 5-(2,4-bis(hydroxy(oxido)amino)anilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2,4-dinitroanilino)-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","BKLSNOIYJPLZDR-UHFFFAOYSA-N","371549",NA,"PDBC39460","645878","Present"
-"Methyl 5-(2,4-bis(hydroxy(oxido)amino)anilino)-3-(6-chloro-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 3-(6-chloro-3-hydroxy-quinoxalin-2-yl)-5-(2,4-dinitroanilino)-2,4,5-trioxo-pentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","OEAPCVFZOARRLB-UHFFFAOYSA-N","373346",NA,"PDBC39461","649562","Present"
-"Methyl 5-(2,4-dimethylanilino)-3,4-dihydro-2H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[(2,4-dimethylphenyl)amino]-3,4-dihydro-2H-pyrrole-2-carboxylate","","CC1=CC(=C(C=C1)NC2=NC(CC2)C(=O)OC)C","CMJUHLOCVVHLCK-UHFFFAOYSA-N","367280",NA,"PDBC39462","636830","Present"
-"Methyl 5-(2,4-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2,4-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=O)C(=O)OC)C","KDZVLAIHJHIPTG-UHFFFAOYSA-N","369854",NA,"PDBC39463","642051","Present"
-"Methyl 5-(2,5-dichloroanilino)-2-hydrazono-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4,5-dioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-5-(2,5-dichloroanilino)-2-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4,5-dioxopentanoate","","COC(=O)C(=NN)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl","OBYALTOTXPFLHX-YUMHPJSZSA-N","5900399",NA,"PDBC39464","648659","Present"
-"Methyl 5-(2,5-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2,5-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=O)C(=O)OC","DDSUQCVZFVLSPP-UHFFFAOYSA-N","372877",NA,"PDBC39465","648589","Present"
-"Methyl 5-(2-(aminocarbonyl)anilino)-2-((hydrazinocarbothioyl)hydrazono)-3-(3-hydroxy-2-quinoxalinyl)-4,5-dioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-(aminocarbamothioylhydrazinylidene)-5-(2-carbamoylanilino)-4,5-dioxo-3-(3-oxo-4H-quinoxalin-2-yl)pentanoate","","COC(=O)C(=NNC(=S)NN)C(C1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=CC=CC=C3C(=O)N","RNSGQCPEQHJPSA-MWLSYYOVSA-N","6078915",NA,"PDBC39466","642043","Present"
-"Methyl 5-(2-(aminocarbonyl)anilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2-carbamoylanilino)-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=CC=C3C(=O)N","QCGOBUIZJGXCQS-UHFFFAOYSA-N","370945",NA,"PDBC39467","644750","Present"
-"Methyl 5-(2-(aminocarbonyl)anilino)-3-(6-chloro-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2-(aminocarbonyl)anilino)-3-(6-chloro-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC=CC=C3C(=O)N","QFZLDHOFHVROFY-UHFFFAOYSA-N","373342",NA,"PDBC39468","649558","Present"
-"Methyl 5-(2-(aminocarbonyl)anilino)-4-hydrazono-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,5-dioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl (4Z)-5-(2-carbamoylanilino)-4-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,5-dioxopentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=NN)C(=O)NC3=CC=CC=C3C(=O)N","MNQWXMRVTCNVEM-YUMHPJSZSA-N","9571296",NA,"PDBC39469","641445","Present"
-"Methyl 5-(2-(benzyloxy)-2-oxoethyl)-8-methyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate","","","","","","","","","","","","","","","","","","","","Benzyl 4-[[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate","","CC(C(=O)NCC(=O)OC)NC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","XJMLMXPCLBDFIQ-UHFFFAOYSA-N","381433",NA,"PDBC39470","668021","Present"
-"Methyl 5-(2-acetylanilino)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2-acetylanilino)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","CC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC","PAGWXNAUMPSWID-UHFFFAOYSA-N","372893",NA,"PDBC39471","648605","Present"
-"Methyl 5-(2-cyano-4-(hydroxy(oxido)amino)anilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2-cyano-4-nitrophenylamino)-3-(3-hydroxy-6-nitroquinoxalin-2-yl)-2,4,5-trioxopentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N","ZHGRBNLMLOCOOQ-UHFFFAOYSA-N","370940",NA,"PDBC39472","644745","Present"
-"Methyl 5-(2-cyano-5-(hydroxy(oxido)amino)anilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2-cyano-5-nitro-anilino)-3-(3-hydroxyquinoxalin-2-yl)-2,4,5-trioxo-pentanoate","","COC(=O)C(=O)C(C1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C#N","OYEVJXYVCCCANN-UHFFFAOYSA-N","372004",NA,"PDBC39473","646820","Present"
-"Methyl 5-(2-ethoxyanilino)-2-hydrazono-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4,5-dioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-5-(2-ethoxyanilino)-2-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4,5-dioxopentanoate","","CCOC1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=NN)C(=O)OC","ZNRYJDLKGZESAJ-IMRQLAEWSA-N","9571368",NA,"PDBC39474","648663","Present"
-"Methyl 5-(2-ethyl-6-isopropylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2-ethyl-6-isopropylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=O)C(=O)OC","QGURYSGOPFGJIB-UHFFFAOYSA-N","370938",NA,"PDBC39475","644743","Present"
-"Methyl 5-(3,3-dimethyl-2-thiiranyl)-3-methyl-2-pentenoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(3,3-dimethyl-2-thiiranyl)-3-methyl-2-pentenoate","","CC(=CC(=O)OC)CCC1C(S1)(C)C","KHXRTZFWNFCGFH-BQYQJAHWSA-N","5467354",NA,"PDBC39476","651006","Present"
-"Methyl 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate","","COC1=C(C=C(C=C1)C2=C(CC(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC)OC","IOJSNOUDRWKDLT-UHFFFAOYSA-N","360156",NA,"PDBC39477","622089","Present"
-"Methyl 5-(3,4-dimethylanilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(3,4-dimethylanilino)-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate","","CC1=C(C=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)C(=O)OC)C","DOQZXRRGTLVIJP-UHFFFAOYSA-N","372883",NA,"PDBC39478","648595","Present"
-"Methyl 5-(3-acetylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl-5-(3-acetylphenylamino)-3-(3-hydroxyquinoxalin-2-...","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=O)C(=O)OC","OPBBPMAXYCHXOE-UHFFFAOYSA-N","372007",NA,"PDBC39479","646823","Present"
-"Methyl 5-(3-acetylanilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(3-acetylanilino)-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)C(=O)OC","INMFLCGAKDUASY-UHFFFAOYSA-N","370965",NA,"PDBC39480","644770","Present"
-"Methyl 5-(3-methoxycarbonylbut-3-enoylamino)furan-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(3-methoxycarbonylbut-3-enoylamino)furan-2-carboxylate","","COC(=O)C1=CC=C(O1)NC(=O)CC(=C)C(=O)OC","KSEUQGXXYVDGIV-UHFFFAOYSA-N","394465",NA,"PDBC39481","697938","Present"
-"Methyl 5-(4-chlorophenyl)-2-hydrazino-6-hydroxy-3,6-dihydro-4-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(4-chlorophenyl)-2-hydrazino-6-hydroxy-3,6-dihydro-4-pyrimidinecarboxylate","","COC(=O)C1=C(C(N=C(N1)NN)O)C2=CC=C(C=C2)Cl","DEXQDWRREHEBJG-UHFFFAOYSA-N","366186",NA,"PDBC39482","634513","Present"
-"Methyl 5-(4-ethynyl-1,3,5-trimethyl-1H-pyrrol-2-yl)-3-methyl-2,4-pentadienoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(4-ethynyl-1,3,5-trimethyl-1H-pyrrol-2-yl)-3-methyl-2,4-pentadienoate","","CC1=C(N(C(=C1C#C)C)C)C=CC(=CC(=O)OC)C","YGVJESTZPPQQAN-OCBXPSTGSA-N","5388765",NA,"PDBC39483","638470","Present"
-"Methyl 5-(4-fluoroanilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-(4-fluoroanilino)-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)F","RNUUGRCQOHHHEN-UHFFFAOYSA-N","371555",NA,"PDBC39484","645884","Present"
-"Methyl 5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate","","COC1=CC=C(C=C1)C2=CN=C3C(=C2)C=C(N3)C(=O)OC","HXTQDQCKEPFMPB-UHFFFAOYSA-N","54613075",NA,"PDBC39485","750395","Present"
-"Methyl 5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Methyl 5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate;hydrochloride","","COC(=O)C1CCC(=NC2C3=CC=CC=C3C4=CC=CC=C24)N1.Cl","WTOZSZRIBMEPAL-UHFFFAOYSA-N","135503979",NA,"PDBC39486","636832","Present"
-"Methyl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","CBMicro_002688","","CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C)C(=O)OC","BMIWFWKYKIOEIH-UHFFFAOYSA-N","360975",NA,"PDBC39487","623706","Present"
-"Methyl 5-(carbamoylhydrazinylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(carbamoylhydrazinylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate","","COC(=O)C1CC2CC(=NNC(=O)N)CC2C1","TVEGTLURDKVUIX-UHFFFAOYSA-N","359290",NA,"PDBC39488","620034","Present"
-"Methyl 5-(diethylamino)-4-methyl-1-phenylpyrazole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(diethylamino)-4-methyl-1-phenylpyrazole-3-carboxylate","","CCN(CC)C1=C(C(=NN1C2=CC=CC=C2)C(=O)OC)C","YQVCNCQBSBSMPY-UHFFFAOYSA-N","358195",NA,"PDBC39489","618072","Present"
-"Methyl 5-(hydroxyamino)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(hydroxyamino)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate","","CC1=C(C(=C(C(=N1)C)NO)C2=CC=CC=C2C(F)(F)F)C(=O)OC","WLHISASHDPFJLT-UHFFFAOYSA-N","382124",NA,"PDBC39490","669517","Present"
-"Methyl 5-(methylamino)-2,2-diphenyl-2H,4H-1,3-dithiine-6-carboxylate","","","","","","","","","","","","","","","","","","","","5-Methylamino-2,2-diphenyl-6H-[1,3]dithiine-4-carboxylic...","","CNC1=C(SC(SC1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC","WUJITHYLOUDZIM-UHFFFAOYSA-N","15161940",NA,"PDBC39491","733717","Present"
-"Methyl 5-[(1Z)-2-(2,5-dimethoxyphenyl)vinyl]-2-methoxybenzoate","","","","","","","","","","","","","","","","","","","","Methyl 5-[(1Z)-2-(2,5-dimethoxyphenyl)vinyl]-2- methoxyb...","","COC1=CC(=C(C=C1)OC)C=CC2=CC(=C(C=C2)OC)C(=O)OC","OMGCUEKECQBFBC-ALCCZGGFSA-N","5472439",NA,"PDBC39492","718725","Present"
-"Methyl 5-[(2,4-dichlorophenyl)methyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2,4-dichlorobenzyl)-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5C3=O)O","UVPWTMNAJSBHIE-UHFFFAOYSA-N","404186",NA,"PDBC39493","720337","Present"
-"Methyl 5-[(2,4-dichlorophenyl)methyl]-2-hydroxy-6-oxo-11H-benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2,4-dichlorobenzyl)-2-hydroxy-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5C3)O","FMQAWNYLZKPVBX-UHFFFAOYSA-N","403871",NA,"PDBC39494","719404","Present"
-"Methyl 5-[(2,4-dinitrophenyl)sulfinylmethyl]-2-methyl-3-phenyl-3H-isoxazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[(2,4-dinitrophenyl)sulfinylmethyl]-2-methyl-3-phenyl-3H-isoxazole-4-carboxylate","","CN1C(C(=C(O1)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3","FPJKDKRFARAODR-UHFFFAOYSA-N","361735",NA,"PDBC39495","624977","Present"
-"Methyl 5-[(2-chlorophenyl)methyl]-2,6-dihydroxybenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2-chlorobenzyl)-2,6-dihydroxy-5h-benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=CC4=CC=CC=C4C(=C3N2CC5=CC=CC=C5Cl)O)O","YGETYTHHJBEZML-UHFFFAOYSA-N","404482",NA,"PDBC39496","720718","Present"
-"Methyl 5-[(2-chlorophenyl)methyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(2-chlorobenzyl)-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4Cl)C(=O)C5=CC=CC=C5C3=O)O","QBEJZMUIKAXLBG-UHFFFAOYSA-N","404484",NA,"PDBC39497","720720","Present"
-"Methyl 5-[(3,5-dimethoxyphenyl)methyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC1=CC(=CC(=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC)OC","FTSDCFBSUWGTNX-UHFFFAOYSA-N","404189",NA,"PDBC39498","720340","Present"
-"Methyl 5-[(3,5-dimethoxyphenyl)methyl]-2-hydroxy-6-oxo-11H-benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC1=CC(=CC(=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC)OC","UIERGVBQHJZMJP-UHFFFAOYSA-N","403874",NA,"PDBC39499","719407","Present"
-"Methyl 5-[(3,5-dimethoxyphenyl)methyl]-2-hydroxybenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-5h-benzo[b]carbazole-1-carboxylate","","COC1=CC(=CC(=C1)CN2C3=C(C4=CC5=CC=CC=C5C=C42)C(=C(C=C3)O)C(=O)OC)OC","DTJLKJQQQMUUPY-UHFFFAOYSA-N","404480",NA,"PDBC39500","720716","Present"
-"Methyl 5-[(6-bromo-1,3-benzodioxole-5-carbonyl)amino]furan-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[(6-bromo1,3-benzodioxole-5-carbonyl)amino]furan-2-carboxylate","","COC(=O)C1=CC=C(O1)NC(=O)C2=CC3=C(C=C2Br)OCO3","PVOJIKDBPUNREY-UHFFFAOYSA-N","397466",NA,"PDBC39501","705324","Present"
-"Methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)C(=O)OC)C3=CC=C(O3)[N+](=O)[O-]","JWZVKXBMKRDFNU-WOJGMQOQSA-N","5358937",NA,"PDBC39502","291056","Present"
-"Methyl 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxybenzoate","","","","","","","","","","","","","","","","","","","","Methyl 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxybenzoate","","COC1=CC(=C(C=C1)OC)C#CC2=CC(=C(C=C2)OC)C(=O)OC","JKDPIWZNGRWUFU-UHFFFAOYSA-N","403337",NA,"PDBC39503","718126","Present"
-"Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dihydroxybenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dihydroxy-5h-benzo[b]carbazole-1-carboxylate","","COC1=C(C=C(C=C1)CCN2C3=C(C4=CC5=CC=CC=C5C(=C42)O)C(=C(C=C3)O)C(=O)OC)OC","FIUVOTYEZXEQOO-UHFFFAOYSA-N","404483",NA,"PDBC39504","720719","Present"
-"Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate","","COC1=C(C=C(C=C1)CCN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC)OC","YNXPMAAZIUXWQM-UHFFFAOYSA-N","404485",NA,"PDBC39505","720721","Present"
-"Methyl 5-[3-(trifluoromethyl)anilino]-3,4-dihydro-2H-pyrrole-2-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Methyl 5-[3-(trifluoromethyl)anilino]-3,4-dihydro-2H-pyrrole-2-carboxylate;hydrochloride","","COC(=O)C1CCC(=N1)NC2=CC=CC(=C2)C(F)(F)F.Cl","WOZHFRPSKJHPDU-UHFFFAOYSA-N","367284",NA,"PDBC39506","636833","Present"
-"Methyl 5-[4-(4-chlorophenyl)-1,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxo-pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-[4-(4-chlorophenyl)-1,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxo-pentanoate","","COC(=O)CCCC(=O)C1=NC2=CC=CC=C2CN(N1)C3=CC=C(C=C3)Cl","FXXRJHCLWCDREF-UHFFFAOYSA-N","389742",NA,"PDBC39507","686338","Present"
-"Methyl 5-[[1-(hydroxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]furan-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[[1-(hydroxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]furan-2-carboxylate","","COC(=O)C1=CC=C(O1)CN2CCC3=C(C2CO)NC4=CC=CC=C34","BPRMFUNATBDYTC-UHFFFAOYSA-N","372326",NA,"PDBC39508","647384","Present"
-"Methyl 5-[[2-[(2-benzyloxy-2-oxo-ethyl)amino]-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]amino]-4-(tert-butoxycarbonylamino)-5-oxo-pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[3-(4-nitrophenyl)-1-oxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl]amino]-5-oxopentanoate","","CC(C)(C)OC(=O)NC(CCC(=O)OC)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CC=CC=C2","GLHSOHZTHPPDNF-UHFFFAOYSA-N","382247",NA,"PDBC39509","669702","Present"
-"Methyl 5-[[2-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[[2-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate","","COC(=O)C1=C(SC(=S)S1)SCC2=CC=CC=C2CSC3=C(SC(=S)S3)C(=O)OC","GQSMEVFACAKNHA-UHFFFAOYSA-N","397747",NA,"PDBC39510","706170","Present"
-"Methyl 5-[[3-[(5-methoxycarbonyl-2-oxo-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-oxo-1,3-dithiole-4-carboxylate","","","","","","","","","","","","","","","","","","","","methyl 5-[[3-[(5-methoxycarbonyl-2-oxo-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-oxo-1,3-dithiole-4-carboxylate","","COC(=O)C1=C(SC(=O)S1)SCC2=CC(=CC=C2)CSC3=C(SC(=O)S3)C(=O)OC","WYBJNLORMOIESK-UHFFFAOYSA-N","397744",NA,"PDBC39511","706167","Present"
-"Methyl 5-[[3-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[[3-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate","","COC(=O)C1=C(SC(=S)S1)SCC2=CC(=CC=C2)CSC3=C(SC(=S)S3)C(=O)OC","TVMJMZHKMNNZGE-UHFFFAOYSA-N","397191",NA,"PDBC39512","704598","Present"
-"Methyl 5-[[4-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[[4-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate","","COC(=O)C1=C(SC(=S)S1)SCC2=CC=C(C=C2)CSC3=C(SC(=S)S3)C(=O)OC","VDQLKVNJKZDVQK-UHFFFAOYSA-N","397748",NA,"PDBC39513","706171","Present"
-"Methyl 5-[benzoyl(pent-4-enyl)amino]furan-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-[benzoyl(pent-4-enyl)amino]furan-2-carboxylate","","COC(=O)C1=CC=C(O1)N(CCCC=C)C(=O)C2=CC=CC=C2","VJVDSEIHGKGTMH-UHFFFAOYSA-N","394464",NA,"PDBC39514","697937","Present"
-"Methyl 5-acetamido-1,3,4-thiadiazol-2-yl sulfone","","","","","","","","","","","","","","","","","","","","STL214719","","CC(=O)NC1=NN=C(S1)S(=O)(=O)C","CNOKSWHGWDXNSY-UHFFFAOYSA-N","375379",NA,"PDBC39515","655050","Present"
-"Methyl 5-acetamido-4-acetyloxy-2-heptan-2-ylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-acetamido-4,7,8,9-O-acetyl-3,5-dideoxy-2-S-(2'-...","","CCCCCC(C)SC1(CC(C(C(O1)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC","CGQAGIOIJDHBLL-XJLIWUQFSA-N","386382",NA,"PDBC39516","678353","Present"
-"Methyl 5-acetyl-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-acetyl-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate","","CC(=O)C1=C2C(=C3C=C(NC3=C1OC)C(=O)OC)CCN2","IWMZTFGBRABPGX-UHFFFAOYSA-N","393072",NA,"PDBC39517","694457","Present"
-"Methyl 5-acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate","","CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C(=C5CCCC5=C4)C(=O)OC)C=C1","ZIWLRBCUVCIAMM-UHFFFAOYSA-N","385716",NA,"PDBC39518","677062","Present"
-"Methyl 5-amino-1-benzyl-1H-imidazole-4-carboximidoate","","","","","","","","","","","","","","","","","","","","Methyl 5-amino-1-benzyl-1H-imidazole-4-carboximidoate","","COC(=N)C1=C(N(C=N1)CC2=CC=CC=C2)N","UAOSKYXEJBTATJ-UHFFFAOYSA-N","382611",NA,"PDBC39519","670252","Present"
-"Methyl 5-amino-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-amino-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)N","XFWBWXDIZWVLPW-UHFFFAOYSA-N","372891",NA,"PDBC39520","648603","Present"
-"Methyl 5-benzyl-11-methylidene-2-[(4-nitrophenyl)methoxycarbonyloxy]-6-oxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-benzyl-11-methylidene-2-[(4-nitrophenyl)methoxycarbonyloxy]-6-oxobenzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=C)OC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]","XAXYFOYGFGDGJB-UHFFFAOYSA-N","11706969",NA,"PDBC39521","734758","Present"
-"Methyl 5-benzyl-2-hydroxy-11-methylidene-6-oxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-benzyl-2-hydroxy-11-methylidene-6-oxobenzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=C)O","SQBBMGPOPYNZMH-UHFFFAOYSA-N","404604",NA,"PDBC39522","720996","Present"
-"Methyl 5-benzyl-2-hydroxy-3-nitro-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-benzyl-2-hydroxy-3-nitro-6,11-dioxobenzo[b]carbazole-1-carboxylate","","COC(=O)C1=C2C(=CC(=C1O)[N+](=O)[O-])N(C3=C2C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5","AELFOOHSJHUYNI-UHFFFAOYSA-N","5472966",NA,"PDBC39523","722992","Present"
-"Methyl 5-benzyl-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-benzyl-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)O","WSJKAULYUSRFND-UHFFFAOYSA-N","404192",NA,"PDBC39524","720343","Present"
-"Methyl 5-benzyl-2-hydroxy-6-oxo-11H-benzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-benzyl-2-hydroxy-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3)O","PFHWETGRXRTEIN-UHFFFAOYSA-N","403876",NA,"PDBC39525","719409","Present"
-"Methyl 5-bromo-7-[2-(diethylamino)ethoxy]-6-methoxy-3-methyl-1-benzofuran-2-carboxylate","","","","","","","","","","","","","","","","","","","","5-Bromo-7-(O-ethyl-2?-diethylamino)-6-methoxy-benzofuran...","","CCN(CC)CCOC1=C2C(=CC(=C1OC)Br)C(=C(O2)C(=O)OC)C","FGGRFLRQPQOIOL-UHFFFAOYSA-N","24204526",NA,"PDBC39526","732114","Present"
-"Methyl 5-chloro-2-[(4-nitrobenzoyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","DWPHGNLALUNFLR-UHFFFAOYSA-N","","COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","DWPHGNLALUNFLR-UHFFFAOYSA-N","362934",NA,"PDBC39527","627410","Present"
-"Methyl 5-chloro-N-cyclohexylcarbonyl anthranilate","","","","","","","","","","","","","","","","","","","","AXWRMWRONKZXKX-UHFFFAOYSA-N","","COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2CCCCC2","AXWRMWRONKZXKX-UHFFFAOYSA-N","362497",NA,"PDBC39528","626520","Present"
-"Methyl 5-chloropyrazine-2-carboxylate","","","","","","","","","","","","","","","","","","","","methyl 5-chloropyrazinoate","","COC(=O)C1=CN=C(C=N1)Cl","CVVMLRFXZPKILB-UHFFFAOYSA-N","406081",NA,"PDBC39529","723999","Present"
-"Methyl 5-cyano-2-(5-methyl-2-thienyl)-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-cyano-2-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylate","","CC1=CC=C(S1)C2=C(C=C(N2)C#N)C(=O)OC","FJCXLOAHWRZFMY-UHFFFAOYSA-N","395469",NA,"PDBC39530","700032","Present"
-"Methyl 5-cyano-2-thiophen-2-yl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-cyano-2-thiophen-2-yl-1H-pyrrole-3-carboxylate","","COC(=O)C1=C(NC(=C1)C#N)C2=CC=CS2","RZYSLHXDBGECMB-UHFFFAOYSA-N","395468",NA,"PDBC39531","700031","Present"
-"Methyl 5-cyano-2-thiophen-3-yl-1H-pyrrole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-cyano-2-thiophen-3-yl-1H-pyrrole-3-carboxylate","","COC(=O)C1=C(NC(=C1)C#N)C2=CSC=C2","CLPJOEWVELWDFE-UHFFFAOYSA-N","388559",NA,"PDBC39532","683562","Present"
-"Methyl 5-cyano-5-(2,4-dichlorophenyl)-4-oxopentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-cyano-5-(2,4-dichlorophenyl)-4-oxopentanoate","","COC(=O)CCC(=O)C(C#N)C1=C(C=C(C=C1)Cl)Cl","YNUZXEVWFRODRT-UHFFFAOYSA-N","358492",NA,"PDBC39533","618500","Present"
-"Methyl 5-diethoxyphosphoryloxy-4-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-diethoxyphosphoryloxy-4-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-2-carboxylate","","CCOP(=O)(OCC)OC1C(C2=C(C=C(N2)C(=O)OC)C3=C1NC=C3)OC","DIKOMQSMOOPQHM-UHFFFAOYSA-N","386822",NA,"PDBC39534","679530","Present"
-"Methyl 5-ethyl-2,6-dihydroxybenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-ethyl-2,6-dihydroxy-5h-benzo[b]carbazole-1-carboxylate","","CCN1C2=C(C3=CC4=CC=CC=C4C(=C31)O)C(=C(C=C2)O)C(=O)OC","GSMHSJBMLAJUCA-UHFFFAOYSA-N","404486",NA,"PDBC39535","720722","Present"
-"Methyl 5-ethyl-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-ethyl-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate","","CCN1C2=C(C3=C1C(=O)C4=CC=CC=C4C3=O)C(=C(C=C2)O)C(=O)OC","FADTUYZHAZAKNY-UHFFFAOYSA-N","404191",NA,"PDBC39536","720342","Present"
-"Methyl 5-fluoro-4-hydroxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-fluoro-4-hydroxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate","","COC(=O)C1(C(NC(=O)NC1=O)O)F","JUUPPQURHPYPOI-UHFFFAOYSA-N","353769",NA,"PDBC39537","602881","Present"
-"Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy...","","COC1C(C(=O)NC(=O)N1)(C(=O)OC)F","CMZYDQKKDNXWKW-UHFFFAOYSA-N","339703",NA,"PDBC39538","367428","Present"
-"Methyl 5-hexadecyl-6-hydroxy-2-mercapto-4-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-hexadecyl-6-hydroxy-2-mercapto-4-pyrimidinecarboxylate","","CCCCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)C(=O)OC","DXEKVIVVAIASET-UHFFFAOYSA-N","3004177",NA,"PDBC39539","635124","Present"
-"Methyl 5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromene-6-carboxylate","","","","","","","","","","","","","","","","","","","","Benzo[1,2-b:3,4-b']dipyran-6-carboxylic acid, 2,3,4,8,9,...","","CC1(CCC2=C(C(=C3C(=C2O1)CCC(O3)(C)C)C(=O)OC)O)C","YCMSOWZRNXKKKJ-UHFFFAOYSA-N","353071",NA,"PDBC39540","600166","Present"
-"Methyl 5-hydroxy-2,3,8-trimethyl-4H-pyrrolo[2,3-f]quinoxaline-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2,3,8-trimethyl-5-oxo-4,5-dihydro-1h-pyrrolo[2,3-f]quinoxaline-7-carboxylate","","CC1=C(N=C2C(=C(C=C3C2=NC(=C3C(=O)OC)C)O)N1)C","KEBJFNVUAZOMRY-UHFFFAOYSA-N","135426755",NA,"PDBC39541","716490","Present"
-"Methyl 5-hydroxy-2-[(4-hydroxybenzoyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","Melandrin, methyl ester","","COC(=O)C1=C(C=CC(=C1)O)NC(=O)C2=CC=C(C=C2)O","YOCYIKSBSKALFW-UHFFFAOYSA-N","368270",NA,"PDBC39542","638729","Present"
-"Methyl 5-hydroxy-5-methyl-5,6-dihydro-4H-1,3-thiazine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-hydroxy-5-methyl-5,6-dihydro-4H-1,3-thiazine-4-carboxylate","","CC1(CSC=NC1C(=O)OC)O","LPNVXPBPWVQIMS-UHFFFAOYSA-N","368885",NA,"PDBC39543","640230","Present"
-"Methyl 5-methoxy-2-((2-((((4-methoxybenzyl)oxy)carbonyl)amino)-4-methylpentanoyl)amino)pentanoate","","","","","","","","","","","","","","","","","","","","Methyl 5-methoxy-2-((2-((((4-methoxybenzyl)oxy)carbonyl)amino)-4-methylpentanoyl)amino)pentanoate","","CC(C)CC(C(=O)NC(CCCOC)C(=O)OC)NC(=O)OCC1=CC=C(C=C1)OC","USIBRDRSXILDCL-UHFFFAOYSA-N","382705",NA,"PDBC39544","670353","Present"
-"Methyl 5-methyl-2-[(E)-(4-methyl-3-oxo-1H-inden-2-ylidene)methyl]benzoate","","","","","","","","","","","","","","","","","","","","Methyl 5-methyl-2-[(E)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoate","","CC1=CC(=C(C=C1)C=C2CC3=CC=CC(=C3C2=O)C)C(=O)OC","ZMKHKBRWKUUWPL-MHWRWJLKSA-N","6284987",NA,"PDBC39545","678362","Present"
-"Methyl 5-methyl-2-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-methyl-2-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6-carboxylate","","CC12CCC(=O)C(O1)C=C2C(=O)OC","HZBNKPWBFGUDFF-UHFFFAOYSA-N","361140",NA,"PDBC39546","623972","Present"
-"Methyl 5-methyl-7-phenyl-2,3,8,8a-tetrahydro-7H-[1,3]oxazolo[3,2-a]pyridine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-methyl-7-phenyl-2,3,8,8a-tetrahydro-7H-[1,3]oxazolo[3,2-a]pyridine-6-carboxylate","","CC1=C(C(CC2N1CCO2)C3=CC=CC=C3)C(=O)OC","AOCZIBWTJRPJPB-UHFFFAOYSA-N","375830",NA,"PDBC39547","656078","Present"
-"Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate","","","","","","","","","","","","","","","","","","","","CCRIS 2153","","COC(=O)C1=C(C(=C(O1)[N+](=O)[O-])C2=CC=CC=C2)C3=CC=CC=C3","AJKRLFVGAWNBKP-UHFFFAOYSA-N","40231",NA,"PDBC39548","616361","Present"
-"Methyl 5-nitro-3-[(2S,3S,4R,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]imidazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-nitro-3-[(2S,3S,4R,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]imidazole-4-carboxylate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC(=C2C(=O)OC)[N+](=O)[O-]","OZUURPZOWPXHGE-PBOSXPJTSA-N","383946",NA,"PDBC39549","672910","Present"
-"Methyl 5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate","","COC(=O)C1=C2N=[N+](C3=CC=CC=C3N2N=C1)[O-]","ASGFAWZELWBIOH-UHFFFAOYSA-N","388425",NA,"PDBC39550","683333","Present"
-"Methyl 5-oxo-1-[phenyl-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-oxo-1-[phenyl-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylate","","COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)N3C(CCC3=O)C(=O)OC","UWZLSLHQRNSPOI-UHFFFAOYSA-N","384218",NA,"PDBC39551","673623","Present"
-"Methyl 5-oxo-2-phenylcyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 5-oxo-2-phenylcyclohexanecarboxylate","","COC(=O)C1CC(=O)CCC1C2=CC=CC=C2","AXOQDYGCCCXXHG-UHFFFAOYSA-N","372277",NA,"PDBC39552","647335","Present"
-"Methyl 5-oxo-4,5-dihydro-3H-1,3,4-benzotriazepin-2-ylcarbamate","","","","","","","","","","","","","","","","","","","","Methyl 5-oxo-4,5-dihydro-3H-1,3,4-benzotriazepin-2-ylcarbamate","","COC(=O)NC1=NC2=CC=CC=C2C(=O)NN1","ZQUNSLRRUXYQNE-UHFFFAOYSA-N","353471",NA,"PDBC39553","601851","Present"
-"Methyl 6,3-dimethoxy-5,11-dioxo-6-methyl-5H-indeno[1,2-c]isoquinoline-9-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6,11-dihydro-2,3-dimethoxy-5,11-dioxo-6-methyl-5H...","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=C2C=CC(=C4)C(=O)OC","AEAGQTLYHMAXBJ-UHFFFAOYSA-N","45027888",NA,"PDBC39554","734286","Present"
-"Methyl 6,7-diamino-9-(dicyanomethylene)-10,10a-dihydrobenzo[c]chromene-8-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6,7-diamino-9-(dicyanomethylene)-10,10a-dihydrobenzo[c]chromene-8-carboxylate","","COC(=O)C1=C(C2=C(OC3=CC=CC=C3C2CC1=C(C#N)C#N)N)N","WCQUAMDDMHHNHT-UHFFFAOYSA-N","388286",NA,"PDBC39555","682927","Present"
-"Methyl 6,7-dichloro-3-methylquinoxaline-2-carboxylate 1,4-dioxide","","","","","","","","","","","","","","","","","","","","Methyl 6,7-dichloro-3-methylquinoxaline-2-carboxylate 1,4-dioxide","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OC","PHDMFBDFVVUYQS-UHFFFAOYSA-N","403947",NA,"PDBC39556","719713","Present"
-"Methyl 6,7-dihydroxynaphthalene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6,7-dihydroxynaphthalene-2-carboxylate","","COC(=O)C1=CC2=CC(=C(C=C2C=C1)O)O","PBQFYUIDFAZICQ-UHFFFAOYSA-N","390996",NA,"PDBC39557","689402","Present"
-"Methyl 6,7-dimethyl-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepine-9-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6,7-dimethyl-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepine-9-carboxylate","","CC1=CC(=C2C(=C1C)C(=O)NCC(=O)N2)C(=O)OC","JEVLPIHAPDZCGT-UHFFFAOYSA-N","360072",NA,"PDBC39558","621870","Present"
-"Methyl 6,9-dibenzyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate","","","","","","","","","","","","","","","","","","","","Methyl 6,9-dibenzyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)OC","BUYTXNVXDQJVME-UHFFFAOYSA-N","382710",NA,"PDBC39559","670359","Present"
-"Methyl 6-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)-5-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)-5-indanecarboxylate","","COC(=O)C1=C(C=C2CCCC2=C1)CC3CC4=C(C3=O)C=C5CCCC5=C4","OICBITAPYYBEOU-UHFFFAOYSA-N","382688",NA,"PDBC39560","670336","Present"
-"Methyl 6-((4-chlorophenyl)hydrazono)-6-(2,6-dichloroanilino)-5-oxohexanoate","","","","","","","","","","","","","","","","","","","","Methyl 6-((4-chlorophenyl)hydrazono)-6-(2,6-dichloroanilino)-5-oxohexanoate","","COC(=O)CCCC(=O)C(=NC1=C(C=CC=C1Cl)Cl)NNC2=CC=C(C=C2)Cl","ZNGKMCKMPJSQCC-UHFFFAOYSA-N","389743",NA,"PDBC39561","686339","Present"
-"Methyl 6-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)-4-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)-4-indanecarboxylate","","COC(=O)C1=CC(=CC2=C1CCC2)CC3CC4=C(C3)C=C5CCCC5=C4","OOFFAJAZVMTDLT-UHFFFAOYSA-N","382647",NA,"PDBC39562","670295","Present"
-"Methyl 6-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)-5-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)-5-indanecarboxylate","","COC(=O)C1=C(C=C2CCCC2=C1)CC3CC4=C(C3)C=C5CCCC5=C4","MWZSNICWASNBDF-UHFFFAOYSA-N","382648",NA,"PDBC39563","670296","Present"
-"Methyl 6-(2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methoxy-3-oxopropyl)-5-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-(2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methoxy-3-oxopropyl)-5-indanecarboxylate","","COC(=O)C1=C(C=C2CCCC2=C1)CC(CC3=CC4=C(CCC4)C=C3)C(=O)OC","LSAOYGIQVKPNRH-UHFFFAOYSA-N","385649",NA,"PDBC39564","676995","Present"
-"Methyl 6-(2-aminoethylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylate;sulfuric acid","","","","","","","","","","","","","","","","","","","","Methyl 6-(2-aminoethylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylate;sulfuric acid","","COC(=O)C1C(C(C(C(O1)SCCN)O)O)O.OS(=O)(=O)O","BCTFETWFPYZBBZ-UHFFFAOYSA-N","330639",NA,"PDBC39565","319758","Present"
-"Methyl 6-(3-azidopropyl)-3-nitro-5,11-dioxoindeno[1,2-c]isoquinoline-9-carboxylate","","","","","","","","","","","","","","","","","","","","6-(3-Azidopropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro-...","","COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","KSOXIPMQOVYYLL-UHFFFAOYSA-N","17756080",NA,"PDBC39566","740973","Present"
-"Methyl 6-(3-chloropropyl)-3-nitro-5,11-dioxoindeno[1,2-c]isoquinoline-9-carboxylate","","","","","","","","","","","","","","","","","","","","6-(3-Chloropropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro...","","COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl","XVKYVWWGTBOVEM-UHFFFAOYSA-N","17755850",NA,"PDBC39567","740972","Present"
-"Methyl 6-(3-hydroxypropyl)-2-imino-4-undecyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","","","","","","","","","","","","","","","","","","","","Pyrimidine-5-carboxylic acid, 2-amino-4-hendecyl- 1,4-di...","","CCCCCCCCCCCC1C(=C(NC(=N1)N)CCCO)C(=O)OC","BWFIOIDJTVTWPS-UHFFFAOYSA-N","380164",NA,"PDBC39568","665602","Present"
-"Methyl 6-(4,5-dichloro-3,6-dioxo-3,6-dihydro-1(2H)-pyridazinyl)-2,4-dioxohexanoate","","","","","","","","","","","","","","","","","","","","Methyl 6-(4,5-dichloro-3,6-dioxo-3,6-dihydro-1(2H)-pyridazinyl)-2,4-dioxohexanoate","","COC(=O)C(=O)CC(=O)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl","JZSSNWDGKGQWFA-UHFFFAOYSA-N","365875",NA,"PDBC39569","633951","Present"
-"Methyl 6-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-2,4-dioxohexanoate","","","","","","","","","","","","","","","","","","","","Methyl 6-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-2,4-dioxohexanoate","","COC(=O)C(=O)CC(=O)CCN1C(=O)C(=C(C=N1)Cl)Cl","RPYPTKBZFYTABK-UHFFFAOYSA-N","366145",NA,"PDBC39570","634472","Present"
-"Methyl 6-(4-methylphenyl)sulfonyloxyhexanoate","","","","","","","","","","","","","","","","","","","","NMQFMSZLRUPGFY-UHFFFAOYSA-N","","CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC(=O)OC","NMQFMSZLRUPGFY-UHFFFAOYSA-N","357797",NA,"PDBC39571","617325","Present"
-"Methyl 6-O-(((6,6,6-trifluoro-5-oxohexyl)amino)carbonyl)hexopyranoside","","","","","","","","","","","","","","","","","","","","(3,4,5-Trihydroxy-6-methoxyoxan-2-yl)methyl N-(6,6,6-trifluoro-5-oxohexyl)carbamate","","COC1C(C(C(C(O1)COC(=O)NCCCCC(=O)C(F)(F)F)O)O)O","UWRUOUDFYSBITL-UHFFFAOYSA-N","381246",NA,"PDBC39572","667650","Present"
-"Methyl 6-[1-(benzenesulfonyl)indol-2-yl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Methyl 6-[1-(benzenesulfonyl)indol-2-yl]-7-azabicyclo[2.2.2]oct-2-ene-6-carboxylate hydrochloride","","COC(=O)C1(CC2CNC1C=C2)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5.Cl","XZIKACHAHHUEPS-UHFFFAOYSA-N","397005",NA,"PDBC39573","704242","Present"
-"Methyl 6-[2-(diethylamino)ethoxy]-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","6-(O-ethyl-2?-diethylamino)-7-(p-methoxycinnamoyl)-3-met...","","CCN(CC)CCOC1=C(C2=C(C=C1)C(=C(O2)C(=O)OC)C)C(=O)C=CC3=CC=C(C=C3)OC.Cl","YNUHRLKNTQNFBQ-KMZJGFRYSA-N","24204523",NA,"PDBC39574","732112","Present"
-"Methyl 6-[2-(dimethylamino)ethoxy]-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","6-(O-ethyl-2?-dimethylamino)-7-(p-methoxycinnamoyl)-3-me...","","CC1=C(OC2=C1C=CC(=C2C(=O)C=CC3=CC=C(C=C3)OC)OCCN(C)C)C(=O)OC.Cl","NOOYCACGHOXHSY-MXZHIVQLSA-N","45028087",NA,"PDBC39575","741086","Present"
-"Methyl 6-[7-(aminosulfonyl)-6-chloro-1,1-dioxido-2H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl]-4,6-dioxohexanoate","","","","","","","","","","","","","","","","","","","","Methyl 6-(6-chloro-1,1-dioxo-7-sulfamoyl-2H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)-4,6-dioxo-hexanoate","","COC(=O)CCC(=O)CC(=O)C1=NS(=O)(=O)C2=NC(=C(C=C2N1)Cl)S(=O)(=O)N","GZCSPJVTVQKGFV-UHFFFAOYSA-N","3004278",NA,"PDBC39576","642000","Present"
-"Methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8-hydroxy-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8-hydroxy-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2","","CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)OC)O)O)O)C)C(=O)OC)C","OVXZVDSAOVBDKG-LKMZTRCISA-N","385538",NA,"PDBC39577","676796","Present"
-"Methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate","","","","","","","","","","","","","","","","","","","","NSC676788///NSC676792","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O","CQOWKXHYGFCJHS-DFRVBFNPSA-N","385532",NA,"PDBC39578","676788///676792","Present"
-"Methyl 6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate","","","","","","","","","","","","","","","","","","","","NSC676781///NSC676783","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O","WZKGWHSNAKTEGP-PMORDECOSA-N","385527",NA,"PDBC39579","676781///676783","Present"
-"Methyl 6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylate","","","","","","","","","","","","","","","","","","","","NSC676777///NSC676779","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)OC9C(C(C(CO9)O)O)O)O)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O","ZTRXMNCGKZORNF-VMZYMQEXSA-N","385525",NA,"PDBC39580","676777///676779","Present"
-"Methyl 6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)O)O)O)C)C)C2C1)C)C(=O)OC)C","HEBNQUYBPJDNGV-BRMIAQKVSA-N","385529",NA,"PDBC39581","676785","Present"
-"Methyl 6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-[[2-(benzyloxycarbonylamino)-6-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate","","","","","","","","","","","","","","","","","","","","Methyl 6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-2-[[2-(phenylmethoxycarbonylamino)-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate","","COC(=O)C(CCCCNC(=O)CNC(=O)OCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)CNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","QFIZAUYTFAEGQO-UHFFFAOYSA-N","381625",NA,"PDBC39582","668448","Present"
-"Methyl 6-acetyl-5-(2-diethylaminoethyloxy)-2-methyl-benzofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","6-Acetyl-5-(O-ethyl-2?-diethylamino)-2-methyl-benzofuran...","","CCN(CC)CCOC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OC)C(=O)C","LLRKPPKHCYSLCN-UHFFFAOYSA-N","24204525",NA,"PDBC39583","732113","Present"
-"Methyl 6-acetyloxy-1-oxo-2,3,3a,4,5,6-hexahydroindene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-acetyloxy-1-oxo-2,3,3a,4,5,6-hexahydroindene-4-carboxylate","","CC(=O)OC1CC(C2CCC(=O)C2=C1)C(=O)OC","OTFGUENZDCZDMS-UHFFFAOYSA-N","359230",NA,"PDBC39584","619939","Present"
-"Methyl 6-benzyl-2,2,12-trimethyl-9-(2-(methylthio)ethyl)-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate","","","","","","","","","","","","","","","","","","","","NSC670356///NSC670357","","CC(C(=O)OC)NC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C","MLEXHZTVIXNUFI-UHFFFAOYSA-N","382708",NA,"PDBC39585","670356///670357","Present"
-"Methyl 6-benzyl-2-[(E)-[3-(diacetylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furo[2,3-b]pyrrole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-benzyl-2-[(E)-[3-(diacetylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furo[2,3-b]pyrrole-5-carboxylate","","CC(=O)N(C(=O)C)N1C(=O)C(=CC2=CC3=C(O2)N(C(=C3)C(=O)OC)CC4=CC=CC=C4)SC1=S","XJICINTZDUMAOB-YBFXNURJSA-N","24204592",NA,"PDBC39586","732277","Present"
-"Methyl 6-chloro-2-(3,4-dichlorophenyl)quinazoline-4-carboxylate","","","","","","","","","","","","","","","","","","","","HPNOHKRDTXAADW-UHFFFAOYSA-N","","COC(=O)C1=NC(=NC2=C1C=C(C=C2)Cl)C3=CC(=C(C=C3)Cl)Cl","HPNOHKRDTXAADW-UHFFFAOYSA-N","472746",NA,"PDBC39587","626533","Present"
-"Methyl 6-chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carboxylate 1,1-dioxide","","","","","","","","","","","","","","","","","","","","Methyl 6-chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carboxylate 1,1-dioxide","","CNNC1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C(=O)OC)Cl","LOFUNGISFCXQDP-UHFFFAOYSA-N","378495",NA,"PDBC39588","661095","Present"
-"Methyl 6-chloro-3-[4-chloro-N-(dimethylamino)benzenesulfonamido]-1,4,2-benzodithiazine-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-chloro-3-[4-chloro-N-(dimethylamino)benzenesulf...","","CN(C)N(C1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C(=O)OC)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl","QKKVZHCUDWRKGK-UHFFFAOYSA-N","24206072",NA,"PDBC39589","740009","Present"
-"Methyl 6-chloro-3-[5-bromo-N-(dimethylamino)-3-thienylsulfonamido]-1,-dioxo-1,4,2-benzodithiazine-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-chloro-3-[5-bromo-N-(dimethylamino)-3-thienylsu...","","CN(C)N(C1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C(=O)OC)Cl)S(=O)(=O)C3=CC=C(S3)Br","SDJKJGUEOCBRES-UHFFFAOYSA-N","24206073",NA,"PDBC39590","740010","Present"
-"Methyl 6-chloro-5-nitronicotinate","","","","","","","","","","","","","","","","","","","","ACT02457","","COC(=O)C1=CC(=C(N=C1)Cl)[N+](=O)[O-]","BRPREIDVQXJOJH-UHFFFAOYSA-N","346961",NA,"PDBC39591","405361","Present"
-"Methyl 6-hydroxy-1-tri(propan-2-yl)silyloxybicyclo[2.2.2]octane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-hydroxy-1-triisopropylsilyloxy-bicyclo[2.2.2]octane-7-carboxylate","","CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1C(=O)OC)CC2O","JQPMCHOKNZDRBQ-UHFFFAOYSA-N","393383",NA,"PDBC39592","695216","Present"
-"Methyl 6-hydroxy-2-naphthoate","","","","","","","","","","","","","","","","","","","","5568AD","","COC(=O)C1=CC2=C(C=C1)C=C(C=C2)O","UKZOPQRTQJERQC-UHFFFAOYSA-N","390995",NA,"PDBC39593","689401","Present"
-"Methyl 6-methyl-2-(2-methylbenzyl)-1-oxo-2-indanecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-methyl-2-(2-methylbenzyl)-1-oxo-2-indanecarboxylate","","CC1=CC2=C(CC(C2=O)(CC3=CC=CC=C3C)C(=O)OC)C=C1","ZRLPEMCRPOVDCG-UHFFFAOYSA-N","385672",NA,"PDBC39594","677018","Present"
-"Methyl 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylate","","COC(=O)C1=CC2=C(C=C1)NC3=C2CC(=O)NC4=CC=CC=C43","YKROMFXYBBYDLR-UHFFFAOYSA-N","400256",NA,"PDBC39595","711784","Present"
-"Methyl 6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3a,7-dihydropyrrolo[3,4-d]indole-9-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3a,7-dihydropyrrolo[3,4-d]indole-9-carboxylate","","CC1=C(C23C(C(=O)C=CC2(N1)O)C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC","IONGZAQGFHKQGK-UHFFFAOYSA-N","405609",NA,"PDBC39596","722979","Present"
-"Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate","","","","","","","","","","","","","","","","","","","","3-Isoquinolinecarboxylic acid, 7,8-bis(acetyloxy)-, meth...","","CC(=O)OC1=C(C2=CN=C(C=C2C=C1)C(=O)OC)OC(=O)C","IPAJXTAZSRNPTR-UHFFFAOYSA-N","375465",NA,"PDBC39597","655249","Present"
-"Methyl 7-((3-chlorobenzoyl)amino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 2-[(3-chlorobenzoyl)amino]-1-hydroxy-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate","","CC1=C(C2(CCOC2=O)C(N1NC(=O)C3=CC(=CC=C3)Cl)(C)O)C(=O)OC","IUWVXJWJQXBOTH-UHFFFAOYSA-N","367825",NA,"PDBC39598","637900","Present"
-"Methyl 7-(2,6-dichloro-4-nitro-anilino)-4,6,7-trioxo-heptanoate","","","","","","","","","","","","","","","","","","","","Methyl 7-[(2,6-dichloro-4-nitrophenyl)amino]-4,6,7-trioxoheptanoate","","COC(=O)CCC(=O)CC(=O)C(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl","VYLYAUWPJSPYTL-UHFFFAOYSA-N","369791",NA,"PDBC39599","641878","Present"
-"Methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-dihydroxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-dihydroxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate","","CC(=O)OCCCOC1=C2C(=C(C(=C1)NC(=O)OC)CC(CO)O)C=C(N2)C(=O)OC","YRQLJFKFYFAWFW-LBPRGKRZSA-N","398126",NA,"PDBC39600","707553","Present"
-"Methyl 7-(benzylamino)-6-bromo-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 7-(benzylamino)-6-bromo-1-methyl-5,8-dioxo-5,8-di...","","CC1=C2C(=C(C(=N1)C)C(=O)OC)C(=O)C(=C(C2=O)NCC3=CC=CC=C3)Br","HIMAZCBWQKETBN-UHFFFAOYSA-N","155807972",NA,"PDBC39601","802086","Present"
-"Methyl 7-[(4-fluorophenyl)amino]-4,6,7-trioxoheptanoate","","","","","","","","","","","","","","","","","","","","Methyl 7-[(4-fluorophenyl)amino]-4,6,7-trioxoheptanoate","","COC(=O)CCC(=O)CC(=O)C(=O)NC1=CC=C(C=C1)F","JOCGZKDOBVOSFK-UHFFFAOYSA-N","369541",NA,"PDBC39602","641402","Present"
-"Methyl 7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","6-(O-ethyl-2?-morpholino)-7-(p-methoxycinnamoyl)-3-methy...","","CC1=C(OC2=C1C=CC(=C2C(=O)C=CC3=CC=C(C=C3)OC)OCCN4CCOCC4)C(=O)OC.Cl","FCYOMTWQXJOWHH-AAGWESIMSA-N","45028089",NA,"PDBC39603","741087","Present"
-"Methyl 7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","6-(O-propyl-3?-piperidino)-7-(p-methoxycinnamoyl)-3-meth...","","CC1=C(OC2=C1C=CC(=C2C(=O)C=CC3=CC=C(C=C3)OC)OCCCN4CCCCC4)C(=O)OC.Cl","ZHNILHNTRLIOFL-KMZJGFRYSA-N","45028091",NA,"PDBC39604","741088","Present"
-"Methyl 7-acetyl-5-methoxy-3-methyl-6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","7-acetyl-6-(O-ethyl-2?-morpholino)-5-methoxy-3-methyl-2-...","","CC1=C(OC2=C(C(=C(C=C12)OC)OCCN3CCOCC3)C(=O)C)C(=O)OC.Cl","KBNZMNARCBDDBO-UHFFFAOYSA-N","45028085",NA,"PDBC39605","741085","Present"
-"Methyl 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate","","","","","","","","","","","","","","","","","","","","3-Benzofurancarboxylic acid, 7-(acetyloxy)-2-[3,4-bis(ac...","","CC(=O)OC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC(=O)C)C(=O)OC)OC(=O)C","HWOAAHXBFVXZQX-RMKNXTFCSA-N","155807618",NA,"PDBC39606","794698","Present"
-"Methyl 7-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 7-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate","","COC(=O)C1=CC2=C(NC1=O)N=C(C=C2)N","IPCRPUAICQMIOG-UHFFFAOYSA-N","5470381",NA,"PDBC39607","700522","Present"
-"Methyl 7-bromo-1-ethyl-3-oxo-9-azatricyclo[4.4.0.02,8]decane-9-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 7-bromo-1-ethyl-3-oxo-9-azatricyclo[4.4.0.02,8]decane-9-carboxylate","","CCC12CN(C3C1C(=O)CCC2C3Br)C(=O)OC","UFVGAMDBFNYHBQ-UHFFFAOYSA-N","394582",NA,"PDBC39608","698162","Present"
-"Methyl 7-bromo-3-[(2-bromophenyl)carbamoyl]-1-(hydroxymethyl)-9-azatricyclo[4.4.0.02,8]dec-3-ene-9-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 7-bromo-3-[(2-bromophenyl)carbamoyl]-1-(hydroxymethyl)-9-azatricyclo[4.4.0.02,8]dec-3-ene-9-carboxylate","","COC(=O)N1CC2(C3CC=C(C2C1C3Br)C(=O)NC4=CC=CC=C4Br)CO","FRVLYNWYLDPVEV-UHFFFAOYSA-N","394581",NA,"PDBC39609","698161","Present"
-"Methyl 7-chlorobenzo[c]acridine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 7-chlorobenzo[c]acridine-6-carboxylate","","COC(=O)C1=CC2=CC=CC=C2C3=NC4=CC=CC=C4C(=C13)Cl","ZYRSLNBHKCPCGQ-UHFFFAOYSA-N","373416",NA,"PDBC39610","649676","Present"
-"Methyl 7-hydroxy-9-methyl-13-(phenylthio)-8-propionyl-10-tridecenoate","","","","","","","","","","","","","","","","","","","","Methyl 7-hydroxy-9-methyl-13-(phenylthio)-8-propionyl-10-tridecenoate","","CCC(=O)C(C(C)C=CCCSC1=CC=CC=C1)C(CCCCCC(=O)OC)O","NLKNRIQOWCDPRF-ACCUITESSA-N","5469500",NA,"PDBC39611","689219","Present"
-"Methyl 7-methyl-3-oxo-1,2-dihydroindene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-1-oxo-2-indanecarboxylate","","CC1=C2CC(C(=O)C2=CC=C1)C(=O)OC","ANAXUBZSZJVHPT-UHFFFAOYSA-N","385667",NA,"PDBC39612","677013","Present"
-"Methyl 8-(chloromethyl)-4-(dimethylamino)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-(chloromethyl)-4-(dimethylamino)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate","","CN(C)C1=C2C(=C3C(CN(C3=C1)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)C=C(N2)C(=O)OC","MAMMFIUMKJUAKQ-UHFFFAOYSA-N","395185",NA,"PDBC39613","699483","Present"
-"Methyl 8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=CC5=C4C=C(N5)C(=O)OC)CCl)OC)OC","APWWFQQORDQRJM-UHFFFAOYSA-N","394855",NA,"PDBC39614","698931","Present"
-"Methyl 8-[(2,4-dimethylphenyl)carbamoyl]naphthalene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-[(2,4-dimethylphenyl)carbamoyl]naphthalene-1-carboxylate","","CC1=CC(=C(C=C1)NC(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)OC)C","KSQZXLZLXSKWBI-UHFFFAOYSA-N","364293",NA,"PDBC39615","630311","Present"
-"Methyl 8-[(4-chlorophenyl)carbamoyl]naphthalene-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-[(4-chlorophenyl)carbamoyl]naphthalene-1-carboxylate","","COC(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)NC3=CC=C(C=C3)Cl","LIFIDUDNLOGAMW-UHFFFAOYSA-N","364289",NA,"PDBC39616","630307","Present"
-"Methyl 8-chloro-11H-pyrido[2,3-a]carbazole-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-chloro-11H-pyrido[2,3-a]carbazole-5-carboxylate","","COC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=C(N3)C=CC(=C4)Cl","PGMCIYDZAQJJIE-UHFFFAOYSA-N","44139053",NA,"PDBC39617","740206","Present"
-"Methyl 8-chloro-2-methyl-3,5-trioxo-2H-[1,2,3,5]thiatriazolo[4,5-b][1,4,2]benzodithiazine-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-chloro-2-methyl-3,5,5-trioxo-2H-[1,2,3,5]thiatr...","","CN1N=C2N(S1=O)S(=O)(=O)C3=C(S2)C=C(C(=C3)C(=O)OC)Cl","DSZMPEJGBJSQRA-UHFFFAOYSA-N","24206083",NA,"PDBC39618","740020","Present"
-"Methyl 8-chloro-2-methyl-3-(dimethylamino)-5,-dioxo-2,3-dihydro-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-chloro-2-methyl-3-(dimethylamino)-5,5,-dioxo-2,...","","CN1C(N2C(=N1)SC3=C(S2(=O)=O)C=C(C(=C3)Cl)C(=O)OC)N(C)C","ZMPRPIHGSMOUKJ-UHFFFAOYSA-N","24206080",NA,"PDBC39619","740017","Present"
-"Methyl 8-cyano-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-cyano-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate","","COC(=O)C1=CC2C(CC1OC2=O)C#N","XNOXMRKXEHGROW-UHFFFAOYSA-N","368287",NA,"PDBC39620","638791","Present"
-"Methyl 8-ethoxy-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-ethoxy-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate","","CCOC1CC2C(=CC1C(=O)O2)C(=O)OC","UCXFKRJNIWNODK-UHFFFAOYSA-N","368285",NA,"PDBC39621","638789","Present"
-"Methyl 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate","","COC1=CC(=CC(=C1OC)OC)C2=C(C=C(C3=CC4=C(C=C32)OCO4)O)C(=O)OC","JCWRRVYWBMQVMH-UHFFFAOYSA-N","221309",NA,"PDBC39622","5705","Present"
-"Methyl 8-oxo-8H-indeno(2,1-b)thiophene-2-carboxylate","","","","","","","","","","","","","","","","","","","","5Q693R9MON","","COC(=O)C1=CC2=C(S1)C(=O)C3=CC=CC=C32","CJTMSFGZFMQLIO-UHFFFAOYSA-N","288506",NA,"PDBC39623","149720","Present"
-"Methyl 8-oxospiro[1,2,3,6-tetrahydro-as-indacene-7,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate","","","","","","","","","","","","","","","","","","","","Spiro[as-indacene-2(1H),2'(1'H)-s-indacene]- 4'-carboxyl...","","COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C6=C(CCC6)C=C5","JYSSUGUBXSEPIN-UHFFFAOYSA-N","385719",NA,"PDBC39624","677065","Present"
-"Methyl 8a-(1-pyrrolidinyl)-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8a-(1-pyrrolidinyl)-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate","","COC(=O)C1C=CCC2C1(CCCC2)N3CCCC3","KGVIFVCQEQXNSN-UHFFFAOYSA-N","363785",NA,"PDBC39625","628998","Present"
-"Methyl 9,10-diphenyl-4-azatetracyclo[6.2.1.02,7.03,6]undec-9-ene-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 9,10-diphenyl-4-azatetracyclo[6.2.1.02,7.03,6]undec-9-ene-4-carboxylate","","COC(=O)N1CC2C1C3C2C4CC3C(=C4C5=CC=CC=C5)C6=CC=CC=C6","FZZYGBFGNWPQRI-UHFFFAOYSA-N","392685",NA,"PDBC39626","693403","Present"
-"Methyl 9-acetyl-5-hydroxybicyclo[3.2.2]non-6-ene-6-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 8-acetyl-1-hydroxy-bicyclo[3.2.2]non-6-ene-7-carboxylate","","CC(=O)C1CC2CCCC1(C(=C2)C(=O)OC)O","SNDQMKAHNIJHJE-UHFFFAOYSA-N","397724",NA,"PDBC39627","706132","Present"
-"Methyl 9-acetylpyrido[3,4-b]indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 9-acetylpyrido[3,4-b]indole-3-carboxylate","","CC(=O)N1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)OC","MBDNGZRFJGFGGO-UHFFFAOYSA-N","363114",NA,"PDBC39628","627682","Present"
-"Methyl 9-cyano-5-hydroxy-2-oxo-7,8-diphenyl-1,3-dihydro-1-benzazepine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 9-cyano-5-hydroxy-2-oxo-7,8-diphenyl-1,3-dihydro-1-benzazepine-4-carboxylate","","COC(=O)C1=C(C2=C(C(=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)NC(=O)C1)O","GMVSBGAEOYADLZ-UHFFFAOYSA-N","54676222",NA,"PDBC39629","621871","Present"
-"Methyl 9-dodecyl-7-imino-1-oxa-6,8-diazaspiro[4.5]decane-10-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 9-dodecyl-7-imino-1-oxa-6,8-diazaspiro[4.5]decane-10-carboxylate","","CCCCCCCCCCCCC1C(C2(CCCO2)NC(=N1)N)C(=O)OC","HTSPYIJSTBNFAM-UHFFFAOYSA-N","380166",NA,"PDBC39630","665604","Present"
-"Methyl 9-methyl-1-phenyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl 9-methyl-1-phenyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylate","","CN1C2=CC=CC=C2C3=C1C(NC(C3)C(=O)OC)C4=CC=CC=C4","ZRPFXMVEESNOOZ-UHFFFAOYSA-N","363927",NA,"PDBC39631","629415","Present"
-"Methyl D-glucopyranoside 6-sulfonate","","","","","","","","","","","","","","","","","","","","Methyl D-glucopyranoside 6-sulfonate","","COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O","JEDDBBMWFRBGHF-UHFFFAOYSA-N","362766",NA,"PDBC39632","627044","Present"
-"Methyl N'-(2,4-dichloro-5-methylphenyl)sulfonyl-N-(quinoxalin-2-ylamino)carbamimidothioate","","","","","","","","","","","","","","","","","","","","Methyl N'-(2,4-dichloro-5-methylphenyl)sulfonyl-N-(quinoxalin-2-ylamino)carbamimidothioate","","CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N=C(NNC2=NC3=CC=CC=C3N=C2)SC","CREGMJVFGGWTEH-UHFFFAOYSA-N","5896574",NA,"PDBC39633","674023","Present"
-"Methyl N'-(2-ethoxyphenyl)-N-propanoylcarbamimidothioate;hydroiodide","","","","","","","","","","","","","","","","","","","","NSC640346","","CCC(=O)NC(=NC1=CC=CC=C1OCC)SC.I","YWEPHDAICVRZSY-UHFFFAOYSA-N","135423141",NA,"PDBC39634","640346","Present"
-"Methyl N'-[[4-oxo-4-[2-(trifluoromethyl)anilino]butanoyl]amino]carbamimidothioate;hydroiodide","","","","","","","","","","","","","","","","","","","","Methyl N'-[[4-oxo-4-[2-(trifluoromethyl)anilino]butanoyl]amino]carbamimidothioate;hydroiodide","","CSC(=NNC(=O)CCC(=O)NC1=CC=CC=C1C(F)(F)F)N.I","PEPGKNIBXUISOB-UHFFFAOYSA-N","9569795",NA,"PDBC39635","618477","Present"
-"Methyl N-(4-chlorobenzoyl)-N'-propylcarbamimidothioate;hydroiodide","","","","","","","","","","","","","","","","","","","","NSC658255","","CCCN=C(NC(=O)C1=CC=C(C=C1)Cl)SC.I","QBMDBNHLVJMZQU-UHFFFAOYSA-N","377038",NA,"PDBC39636","658255","Present"
-"Methyl N-(4-methylpyridin-2-yl)carbamodithioate","","","","","","","","","","","","","","","","","","","","Methyl 4-methyl-2-pyridinyldithiocarbamate","","CC1=CC(=NC=C1)NC(=S)SC","MIUKIWQQPALDKI-UHFFFAOYSA-N","3005020",NA,"PDBC39637","667881","Present"
-"Methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","6,7-Dihydro-5,8-dioxa-1-thia-3-aza-cyclopenta{B}naphthal...","","COC(=O)NC1=NC2=CC3=C(C=C2S1)OCCO3","ISHLNFPZQZWXDF-UHFFFAOYSA-N","817755",NA,"PDBC39638","764932","Present"
-"Methyl N-(6-bromo-1H-benzimidazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, (5-bromo-1H-benzimidazol-2-yl)-, methyl e...","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)Br","CLOUFUJTHZGQMB-UHFFFAOYSA-N","290654",NA,"PDBC39639","154754","Present"
-"Methyl N-(6-methylpyridin-2-yl)carbamodithioate","","","","","","","","","","","","","","","","","","","","Carbamodithioic acid, (6-methyl-2-pyridinyl)-, methyl ester","","CC1=NC(=CC=C1)NC(=S)SC","PLWXTXHTZPMTSK-UHFFFAOYSA-N","3002252",NA,"PDBC39640","667882","Present"
-"Methyl N-(6-methylsulfanylsulfonyl-1H-benzimidazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-(6-methylsulfanylsulfonyl-1H-benzimidazol-2-yl)carbamate","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)SC","USCXPGPCIBBSHN-UHFFFAOYSA-N","400914",NA,"PDBC39641","713598","Present"
-"Methyl N-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)carbamate","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N3CCOCC3","ZZJTXZJQTQRHDA-UHFFFAOYSA-N","399816",NA,"PDBC39642","710914","Present"
-"Methyl N-(methoxycarbonylamino)carbamate;methyl N-[2-(methoxycarbonylamino)phenyl]carbamate;methyl 4-methoxycarbonyloxy-1-oxophthalazine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl N-(methoxycarbonylamino)carbamate;methyl N-[2-(methoxycarbonylamino)phenyl]carbamate;methyl 4-methoxycarbonyloxy-1-oxophthalazine-2-carboxylate","","COC(=O)NC1=CC=CC=C1NC(=O)OC.COC(=O)NNC(=O)OC.COC(=O)N1C(=O)C2=CC=CC=C2C(=N1)OC(=O)OC","PBZIPGRSRIBXGL-UHFFFAOYSA-N","355529",NA,"PDBC39643","609355","Present"
-"Methyl N-(pyridine-4-carbonylamino)carbamodithioate","","","","","","","","","","","","","","","","","","","","STL490262","","CSC(=S)NNC(=O)C1=CC=NC=C1","FZFDBKODIDXCQF-UHFFFAOYSA-N","3000602",NA,"PDBC39644","636795","Present"
-"Methyl N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]carbamate","","CC1=CC(=C(C(=O)O1)C(=NNC(=O)OC)C)O","NKPMGLSEEIIXLP-IZZDOVSWSA-N","135455594",NA,"PDBC39645","618489","Present"
-"Methyl N-[(E)-1-[2-[5-[(E)-N-(methoxycarbonylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[(E)-1-[2-[5-[(E)-N-(methoxycarbonylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=NNC(=O)OC)C)C)C(=NNC(=O)OC)C","ZGOPZMBFURLQGR-LQGKIZFRSA-N","9571324",NA,"PDBC39646","642617","Present"
-"Methyl N-[(E)-1-[4-[methyl(phenyl)sulfamoyl]phenyl]ethylideneamino]carbamodithioate","","","","","","","","","","","","","","","","","","","","Methyl N-[(E)-1-[4-[methyl(phenyl)sulfamoyl]phenyl]ethylideneamino]carbamodithioate","","CC(=NNC(=S)SC)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2","XMMVECJQUUJIMV-QGOAFFKASA-N","9572027",NA,"PDBC39647","691414","Present"
-"Methyl N-[(Z)-[2-(3-hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[(Z)-[2-(3-hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]carbamate","","COC(=O)NN=C(CC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O)O)C3=CC=CC=C3","NVGPURSIRSECPC-HKWRFOASSA-N","9555771",NA,"PDBC39648","618447","Present"
-"Methyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate","","COC(=O)NCCC1=C2C(=O)C=C(C(=O)C2=NN1)NC3=CC=CC=C3","UQFBQDRIPMMBLB-UHFFFAOYSA-N","388011",NA,"PDBC39649","682432","Present"
-"Methyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate","","COC1=CC(=O)C2=C(NN=C2C1=O)CCNC(=O)OC","DVAOYJGNTDMCHE-UHFFFAOYSA-N","383844",NA,"PDBC39650","672555","Present"
-"Methyl N-[2-(6-morpholin-4-yl-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[2-(6-morpholin-4-yl-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate","","COC(=O)NCCC1=C2C(=O)C=C(C(=O)C2=NN1)N3CCOCC3","FSXCVDXCVJIUIE-UHFFFAOYSA-N","386840",NA,"PDBC39651","679564","Present"
-"Methyl N-[2-(cyclohexen-1-yl)ethyl]-N-(methoxymethyl)carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[2-(cyclohexen-1-yl)ethyl]-N-(methoxymethyl)carbamate","","COCN(CCC1=CCCCC1)C(=O)OC","OUOXOPAVMXWUQK-UHFFFAOYSA-N","394082",NA,"PDBC39652","697220","Present"
-"Methyl N-[2-(cyclohexen-1-yl)ethyl]ethanimidate","","","","","","","","","","","","","","","","","","","","Methyl N-[2-(cyclohexen-1-yl)ethyl]ethanimidate","","CC(=NCCC1=CCCCC1)OC","FLALOJZXYMIQAA-UHFFFAOYSA-N","394081",NA,"PDBC39653","697219","Present"
-"Methyl N-[2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","dimethyl-4-oxo-1,2,3,4-tetrahydroquinazoline  2,2-diyl-d...","","COC(=O)NC1(NC2=CC=CC=C2C(=O)N1)NC(=O)OC","LNTDJAMHPDSXLY-UHFFFAOYSA-N","353373",NA,"PDBC39654","601347","Present"
-"Methyl N-[2-[6-(2-methoxyanilino)-4,7-dioxo-2H-indazol-3-yl]ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[2-[6-(2-methoxyanilino)-4,7-dioxo-2H-indazol-3-yl]ethyl]carbamate","","COC1=CC=CC=C1NC2=CC(=O)C3=C(NN=C3C2=O)CCNC(=O)OC","UFVDWNKZJYZYTB-UHFFFAOYSA-N","388012",NA,"PDBC39655","682433","Present"
-"Methyl N-[6-(1-thiophen-2-ylethenyl)-1H-benzimidazol-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, [5-[1-(2-thienyl)ethenyl]-1H-benzimidazol...","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=C)C3=CC=CS3","ZEABLLDFGWGWPV-UHFFFAOYSA-N","343070",NA,"PDBC39656","381862","Present"
-"Methyl N-[6-(benzotriazol-1-ylsulfonyl)-1H-benzimidazol-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[6-(benzotriazol-1-ylsulfonyl)-1H-benzimidazol-2-yl]carbamate","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N3C4=CC=CC=C4N=N3","JGQGFKZNWHATGU-UHFFFAOYSA-N","399811",NA,"PDBC39657","710909","Present"
-"Methyl N-[6-(diethylsulfamoyl)-1H-benzimidazol-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[6-(diethylsulfamoyl)-1H-benzimidazol-2-yl]carbamate","","CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC","CIJKUVXXMAOJJA-UHFFFAOYSA-N","399817",NA,"PDBC39658","710915","Present"
-"Methyl N-[6-(methoxycarbonylamino)pyren-1-yl]carbamate;methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[6-(methoxycarbonylamino)pyren-1-yl]carbamate;methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate","","COC(=O)NC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)NC(=O)OC)C=C1.COC(=O)NC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)NC(=O)OC","VYGTVLSVQVMHHR-UHFFFAOYSA-N","233937",NA,"PDBC39659","33092","Present"
-"Methyl N-[6-(pyridin-2-ylsulfamoyl)-1H-benzimidazol-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[6-(pyridin-2-ylsulfamoyl)-1H-benzimidazol-2-yl]carbamate","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3","ODZDDYJIBKGFPK-UHFFFAOYSA-N","399814",NA,"PDBC39660","710912","Present"
-"Methyl N-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamate","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)NS(=O)(=O)C3=CC=CS3","XZGNWVUSVRHWDL-UHFFFAOYSA-N","404122",NA,"PDBC39661","720245","Present"
-"Methyl N-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]carbamate","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=CS3","JCTLTGIHDXFGFP-UHFFFAOYSA-N","404116",NA,"PDBC39662","720239","Present"
-"Methyl N-[6-[(4-chlorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[6-[(4-chlorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl","KZXUVZISLUGOJI-UHFFFAOYSA-N","404121",NA,"PDBC39663","720244","Present"
-"Methyl N-[6-[(4-fluorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[6-[(4-fluorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F","SQKFIMBPIYOIMJ-UHFFFAOYSA-N","404125",NA,"PDBC39664","720248","Present"
-"Methyl N-[6-[(4-iodobenzoyl)amino]-1H-benzimidazol-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[6-[(4-iodobenzoyl)amino]-1H-benzimidazol-2-yl]carbamate","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)I","GIBBXVFAQVGNHF-UHFFFAOYSA-N","404128",NA,"PDBC39665","720251","Present"
-"Methyl N-[bis(4-chlorophenyl)methylamino]carbamate","","","","","","","","","","","","","","","","","","","","Methyl N-[bis(4-chlorophenyl)methylamino]carbamate","","COC(=O)NNC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl","HZBVEYLECKQCQO-UHFFFAOYSA-N","392318",NA,"PDBC39666","692594","Present"
-"Methyl N-benzoyl-N'-(4-ethoxyphenyl)carbamimidothioate;hydroiodide","","","","","","","","","","","","","","","","","","","","NSC646788","","CCOC1=CC=C(C=C1)N=C(NC(=O)C2=CC=CC=C2)SC.I","MEZWOKGIRYMYAC-UHFFFAOYSA-N","135499243",NA,"PDBC39667","646788","Present"
-"Methyl N-cyano-N'-(2-(1H-indol-3-yl)ethyl)imidothiocarbamate","","","","","","","","","","","","","","","","","","","","1-Cyano-3-[2-(1H-indol-3-yl)ethyl]-2-methyl-isothiourea","","CSC(=NCCC1=CNC2=CC=CC=C21)NC#N","IWXCGOHOFKJLQY-UHFFFAOYSA-N","375245",NA,"PDBC39668","654634","Present"
-"Methyl N-cyano-N'-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamimidothioate","","","","","","","","","","","","","","","","","","","","Methyl N-cyano-N'-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamimidothioate","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=C(NC#N)SC","KUMBSBAWDIYUJF-UHFFFAOYSA-N","381005",NA,"PDBC39669","666990","Present"
-"Methyl N-methyl-N-[[6-[[methyl(methylsulfanylcarbothioyl)amino]carbamoyl]pyridine-2-carbonyl]amino]carbamodithioate","","","","","","","","","","","","","","","","","","","","Dimethyl 2,2'-(pyridine-2,6-diyldicarbonyl)bis(1-methylhydrazinecarbodithioate)","","CN(C(=S)SC)NC(=O)C1=NC(=CC=C1)C(=O)NN(C)C(=S)SC","OUANBUWDNZXOSX-UHFFFAOYSA-N","375401",NA,"PDBC39670","655072","Present"
-"Methyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate","","","","","","","","","","","","","","","","","","","","Methyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate","","CSC(=NC(=S)NC1=CC=CC=C1)NC2=CC=CC=C2","QIIJJOYSKDPSJY-UHFFFAOYSA-N","9569861",NA,"PDBC39671","622587","Present"
-"Methyl Violet 2B","","","","","","","","","","","","","","","","","","","","Gentian Violet B","","CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1.Cl","JFTBTTPUYRGXDG-UHFFFAOYSA-N","196986",NA,"PDBC39672","47731","Present"
-"Methyl [(2-{[(3-amino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetate","","","","","","","","","","","","","","","","","","","","Methyl 2-(2-(N-(3-amino-1H-1,2,4-triazol-5-yl)sulfamoyl)...","","CC1=CC(=C(C=C1Cl)SCC(=O)OC)S(=O)(=O)NC2=NNC(=N2)N","DZJSPJKWJUJAHC-UHFFFAOYSA-N","378477",NA,"PDBC39673","661077","Present"
-"Methyl apholate","","","","","","","","","","","","","","","","","","","","methyl apholate","","CC1CN1P2(=NP(=NP(=N2)(N3CC3C)N4CC4C)(N5CC5C)N6CC6C)N7CC7C","NGZPBOGBIKWFQY-UHFFFAOYSA-N","72596",NA,"PDBC39674","58788","Present"
-"Methyl bromo(2,3-dihydro-1H-inden-1-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl bromo(2,3-dihydro-1H-inden-1-yl)acetate","","COC(=O)C(C1CCC2=CC=CC=C12)Br","MGHOLMISTCETTF-UHFFFAOYSA-N","372430",NA,"PDBC39675","647544","Present"
-"Methyl ciliarate","","","","","","","","","","","","","","","","","","","","methyl ciliarate","","CC12CCCC(C1CCC34C2CC5C(C3)C5(C4)C)(C)C(=O)OC","DBYBRADCKQFKPC-GRPNHFIBSA-N","338441",NA,"PDBC39676","360853","Present"
-"Methyl cyano(1-(3-phenylpropyl)-1,4-dihydro-5H-tetraazol-5-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl cyano(1-(3-phenylpropyl)-1,4-dihydro-5H-tetraazol-5-ylidene)acetate","","COC(=O)C(=C1N=NNN1CCCC2=CC=CC=C2)C#N","ZNHLDYHIXQWHJO-OUKQBFOZSA-N","5387690",NA,"PDBC39677","625766","Present"
-"Methyl cyano(1-(4-methoxyphenyl)-1,4-dihydro-5H-tetraazol-5-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl cyano(1-(4-methoxyphenyl)-1,4-dihydro-5H-tetraazol-5-ylidene)acetate","","COC1=CC=C(C=C1)N2C(=C(C#N)C(=O)OC)N=NN2","JBFDICDXPAHJBS-ZHACJKMWSA-N","5387689",NA,"PDBC39678","625765","Present"
-"Methyl cyano(3-cyano-6-oxo-4-phenyl-2-piperidinylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl cyano(3-cyano-6-oxo-4-phenyl-2-piperidinylidene)acetate","","COC(=O)C(=C1C(C(CC(=O)N1)C2=CC=CC=C2)C#N)C#N","ROOZMSDNCRRZJK-SQFISAMPSA-N","3005060",NA,"PDBC39679","669029","Present"
-"Methyl cyano(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl cyano(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate","","COC(=O)C(C#N)C1C2=CC=CC=C2C(=O)N1","GKHUFIUSEFAFLD-UHFFFAOYSA-N","368847",NA,"PDBC39680","640182","Present"
-"Methyl cyano(9H-xanthen-9-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Methyl cyano(9H-xanthen-9-ylidene)acetate","","COC(=O)C(=C1C2=CC=CC=C2OC3=CC=CC=C31)C#N","CFXNTQRVJXOTCW-UHFFFAOYSA-N","367027",NA,"PDBC39681","636354","Present"
-"Methyl dibenzylphosphinate","","","","","","","","","","","","","","","","","","","","Methyl dibenzylphosphinate","","COP(=O)(CC1=CC=CC=C1)CC2=CC=CC=C2","ILKIVFZKEYTAFQ-UHFFFAOYSA-N","380768",NA,"PDBC39682","666478","Present"
-"Methyl diethyl-(3,3-diphenyl-3-hydroxypropyl)ammonium chloride","","","","","","","","","","","","","","","","","","","","NSC665902","","CC[N+](C)(CC)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Cl-]","UQUNQXLRCRYILZ-UHFFFAOYSA-M","203501",NA,"PDBC39683","665902","Present"
-"Methyl diethyldithiocarbamate","","","","","","","","","","","","","","","","","","","","Methyl diethyldithiocarbamate","","CCN(CC)C(=S)SC","JYRXPFCUABYLPD-UHFFFAOYSA-N","12704",NA,"PDBC39684","133269","Present"
-"Methyl dimethyldithiocarbamate","","","","","","","","","","","","","","","","","","","","forbiat","","CN(C)C(=S)SC","NBBZMDUHKWRYSZ-UHFFFAOYSA-N","19526",NA,"PDBC39685","40176","Present"
-"Methyl ester prodigiosene","","","","","","","","","","","","","","","","","","","","methyl ester prodigiosene","","CC1=C(NC(=C1C(=O)OC)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","LJLCDJJUJPXYMF-ZTXYIFKNSA-N","136040158",NA,"PDBC39686","753661","Present"
-"Methyl farnesoate 10,11-diol","","","","","","","","","","","","","","","","","","","","Methyl farnesoate 10,11-diol","","CC(=CCCC(=CC(=O)OC)C)CCC(C(C)(C)O)O","MBJDYYPZJXVUHJ-ZPLWXOMKSA-N","5469452",NA,"PDBC39687","688247","Present"
-"Methyl green","","","","","","","","","","","","","","","","","","","","Methyl green","","CC[N+](C)(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-].[Br-]","IDAQSADEMXDTKN-UHFFFAOYSA-L","84671",NA,"PDBC39688","3091","Present"
-"Methyl hexahydro-1H-pyrrolizine-7a-carboxylate","","","","","","","","","","","","","","","","","","","","2832AA","","COC(=O)C12CCCN1CCC2","HBZKVVLPFLBBNV-UHFFFAOYSA-N","394149",NA,"PDBC39689","697383","Present"
-"Methyl isobutyrimidate hydrochloride","","","","","","","","","","","","","","","","","","","","NSC646158","","CC(C)C(=N)OC.Cl","RMXGPHAHPIIESQ-UHFFFAOYSA-N","371709",NA,"PDBC39690","646158","Present"
-"Methyl isonuapauanoate","","","","","","","","","","","","","","","","","","","","Methyl isonuapauanoate","","CC(C1CCC(OO1)(C)CCC2C(=C)CCCC2(C)C)C(=O)OC","MYBJZJMUOIRKIX-UHFFFAOYSA-N","387914",NA,"PDBC39691","682148","Present"
-"Methyl lactoside","","","","","","","","","","","","","","","","","","","DR5","","","COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","FHNIYFZSHCGBPP-ABBMIVAOSA-N","121942",NA,"PDBC39692","","Absent"
-"Methyl linolenate","","","","","","","","","","","","","","","","","","","","Linolenic acid methyl ester","","CCC=CCC=CCC=CCCCCCCCC(=O)OC","DVWSXZIHSUZZKJ-YSTUJMKBSA-N","5319706",NA,"PDBC39693","607759","Present"
-"Methyl lithocholate","","","","","","","","","","","","","","","","","","","","methyl lithocholate","","CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","YXZVCZUDUJEPPK-ULCLHEGSSA-N","92880",NA,"PDBC39694","63558","Present"
-"Methyl methanesulfonate","","","","","","","","","","","","","","","","","","","","methyl mesylate","","COS(=O)(=O)C","MBABOKRGFJTBAE-UHFFFAOYSA-N","4156",NA,"PDBC39695","50256","Present"
-"Methyl orotate","","","","","","","","","","","","","","","","","","","","6-Carbomethyoxyuracil","","COC(=O)C1=CC(=O)NC(=O)N1","UUTDWTOZAWFKFW-UHFFFAOYSA-N","80257",NA,"PDBC39696","42009","Present"
-"Methyl oxo(1-(phenylsulfonyl)-1H-indol-2-yl)acetate","","","","","","","","","","","","","","","","","","","","FMXYYPVQVMPNGI-UHFFFAOYSA-N","","COC(=O)C(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3","FMXYYPVQVMPNGI-UHFFFAOYSA-N","386818",NA,"PDBC39697","679526","Present"
-"Methyl oxo(9-(3-oxobutyl)-9H-fluoren-9-yl)acetate","","","","","","","","","","","","","","","","","","","","Methyl oxo(9-(3-oxobutyl)-9H-fluoren-9-yl)acetate","","CC(=O)CCC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)C(=O)OC","VAHWVVUIAHIRMX-UHFFFAOYSA-N","362104",NA,"PDBC39698","625632","Present"
-"Methyl phaeophorbide","","","","","","","","","","","","","","","","","","","","Methyl phaeophorbide","","CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OC)C4=N3)C(=O)OC)O)C)C","HUXSMOZWPXDRTN-UHFFFAOYSA-N","73074",NA,"PDBC39699","407320","Present"
-"Methyl phenanthro[3,4-d][1,3]dioxole-6-carboxylate","","","","","","","","","","","","","","","","","","","","N-ACETYLSULFANILYL CHLORIDE","","COC(=O)C1=CC2=CC=CC=C2C3=C1C=CC4=C3OCO4","IWENRJHTKYJGKC-UHFFFAOYSA-N","278267",NA,"PDBC39700","127680","Present"
-"Methyl phenoxathiine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl phenoxathiine-4-carboxylate","","COC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3O2","HCPKCEOYLWCXQI-UHFFFAOYSA-N","336542",NA,"PDBC39701","351291","Present"
-"Methyl phenyl((trimethylgermyl)oxy)acetate","","","","","","","","","","","","","","","","","","","","Methyl phenyl((trimethylgermyl)oxy)acetate","","COC(=O)C(C1=CC=CC=C1)O[Ge](C)(C)C","CFVPTHIYZDGEFF-UHFFFAOYSA-N","16683230",NA,"PDBC39702","645572","Present"
-"Methyl protodioscin","","","","","","","","","","","","","","","","","","","","Methyl protodioscin","","CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC","HSSJYSJXBOCKQM-PSAGPQRNSA-N","6712585",NA,"PDBC39703","698790","Present"
-"Methyl protoneogracillin","","","","","","","","","","","","","","","","","","","","Methyl protoneogracillin","","CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC","LOSNTJHBTWBJCC-MDTKVUAWSA-N","6712588",NA,"PDBC39704","698793","Present"
-"Methyl pyrazolo[1,5-a]quinoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl pyrazolo[1,5-a]quinoline-3-carboxylate","","COC(=O)C1=C2C=CC3=CC=CC=C3N2N=C1","PBZMMNVEJQEPNQ-UHFFFAOYSA-N","392523",NA,"PDBC39705","693039","Present"
-"Methyl spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carboxylate","","COC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C5=C(CCC5)C=C4)C=C1","OYUWKPJKIIXVBL-UHFFFAOYSA-N","385725",NA,"PDBC39706","677072","Present"
-"Methyl spiro[1,3-dioxolane-2,3'-2,4,5,6,7,8-hexahydro-1H-naphthalene]-1'-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl spiro[1,3-dioxolane-2,3'-2,4,5,6,7,8-hexahydro-1H-naphthalene]-1'-carboxylate","","COC(=O)C1CC2(CC3=C1CCCC3)OCCO2","SLRWFSWGNNVATD-UHFFFAOYSA-N","359538",NA,"PDBC39707","620521","Present"
-"Methyl spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-indane]-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate","","COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=CC=CC=C5C4","QOAOFURYUODFOU-UHFFFAOYSA-N","385715",NA,"PDBC39708","677061","Present"
-"Methyl streptonigrin","","","","","","","","","","","","","","","","","","","","mes (van)","","CC1=C(C(=C(N=C1C(=O)OC)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O","HKZHTIOXLTVSKR-UHFFFAOYSA-N","18834",NA,"PDBC39709","45384","Present"
-"Methyl tetracyclo[3.3.1.02,4.06,8]nonane-1-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl tetracyclo[3.3.1.02,4.06,8]nonane-1-carboxylate","","COC(=O)C12CC(C3C1C3)C4C2C4","TVNFRIGVJGPMLA-UHFFFAOYSA-N","372436",NA,"PDBC39710","647550","Present"
-"Methyl(4-methylphenyl)[(4-nitrophenyl)sulfonyl]amine","","","","","","","","","","","","","","","","","","","","Methyl(4-methylphenyl)[(4-nitrophenyl)sulfonyl]amine","","CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","LERDDYBGAMSYLV-UHFFFAOYSA-N","383162",NA,"PDBC39711","671275","Present"
-"Methyl(4s)-2-oxo-1-(phenylacetyl)imidazolidine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl(4s)-2-oxo-1-(phenylacetyl)imidazolidine-4-carboxylate","","COC(=O)C1CN(C(=O)N1)C(=O)CC2=CC=CC=C2","CFQGDTYGTAPBQX-JTQLQIEISA-N","385471",NA,"PDBC39712","676707","Present"
-"Methyl-1-methyl-4-[1-methyl-4-(1-methyl-5-nitro-3-carboxamid o)-pyrrole-2-carboxamido]-2-carboxylate","","","","","","","","","","","","","","","","","","","","Methyl-1-methyl-4-[1-methyl-4-(1-methyl-5-nitro-3-carbox...","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)OC)C)NC(=O)C3=CN(C(=C3)[N+](=O)[O-])C","CYFUQNDPSWYVTQ-UHFFFAOYSA-N","24204476",NA,"PDBC39713","732004","Present"
-"Methyl-2-(6-chloro-3-hydroxyquinoxalin-2-yl)-4-(3,4-dimethylphenylamino)-3-hydrazono-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Methyl-2-(6-chloro-3-hydroxyquinoxalin-2-yl)-4-(3,4-dime...","","CC1=C(C=C(C=C1)NC(=O)C(=NN)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC)C","LNYJQMPOOARILC-IMRQLAEWSA-N","5900398",NA,"PDBC39714","648658","Present"
-"Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)prop-3-yn-oate","","","","","","","","","","","","","","","","","","","","Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)prop-3-yn...","","COC(=O)C#CC1(C=CC(=O)C=C1)O","SBCNOLLKGYTHEH-UHFFFAOYSA-N","396292",NA,"PDBC39715","701992","Present"
-"Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)propanoate","","","","","","","","","","","","","","","","","","","","Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)propanoate","","COC(=O)CCC1(C=CC(=O)C=C1)O","TUGCOAKZCYEXGP-UHFFFAOYSA-N","396291",NA,"PDBC39716","701991","Present"
-"Methyl-4-(6,7-difluoroquinoxalin-2-yl)-oxyphenylacetate","","","","","","","","","","","","","","","","","","","","Methyl-4-(6,7-difluoroquinoxalin-2-yl)-oxyphenylacetate","","COC(=O)CC1=CC=C(C=C1)OC2=NC3=CC(=C(C=C3N=C2)F)F","OEHDAMWXMHZIHW-UHFFFAOYSA-N","405749",NA,"PDBC39717","723323","Present"
-"Methyl-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spiro-1''-(4''-methyl)cyclohexane","","","","","","","","","","","","","","","","","","","","NSC720295///NSC720296","","CC1CCC2(CC1)OOC3(CCC4(C(C3)CC(C5C4CC(C6(C5CCC6C(C)CCC(=O)OC)C)OC(=O)C)OC(=O)C)C)OO2","KWGXYYDWZMLXGP-ILOYHABPSA-N","404155",NA,"PDBC39718","720295///720296","Present"
-"Methyl-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spirocyclohexane","","","","","","","","","","","","","","","","","","","","Methyl-7.alpha.,12.alpha.-Diacetoxy-5.beta.-cholan-24-oa...","","CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","WESCDBGGMVOYJU-NWKBRAPTSA-N","404150",NA,"PDBC39719","720290","Present"
-"Methyl-Gag","","","","","","","","","","","","","","","","","","","","mggh","","CC(=NN=C(N)N)C=NN=C(N)N.Cl","RRECQJYPJNWFNK-BCKSSGNJSA-N","54598306",NA,"PDBC39720","32946","Present"
-"Methyl-N-[6(dimethoxy-(2-thienyl)-4-quinazolinyl] anthranilate","","","","","","","","","","","","","","","","","","","","methyl-N-[6(dimethoxy-(2-thienyl)-4-quinazolinyl] anthra...","","COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NC4=CC=CC=C4C(=O)OC)OC","BKCBNZWMXPIXSQ-UHFFFAOYSA-N","405778",NA,"PDBC39721","723421","Present"
-"Methyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate","","","","","","","","","","","","","","","","","","","","Methyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate","","CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCC[N+](C)(CCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C)CC7=C(N=CN7C)[N+](=O)[O-].CC(=O)[O-]","WCIQGRVPVRKIBB-UHFFFAOYSA-N","394236",NA,"PDBC39722","697540","Present"
-"Methyl-[2-(2-nitro-benzenesulfonyl)-phenyl]-amine","","","","","","","","","","","","","","","","","","","","Methyl-[2-(2-nitro-benzenesulfonyl)-phenyl]-amine","","CNC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","HYNTVWNMKREYDH-UHFFFAOYSA-N","381405",NA,"PDBC39723","667950","Present"
-"Methyl-[2-methyl-2-(4-methylphenyl)propyl]-diphenylphosphanium;iodide","","","","","","","","","","","","","","","","","","","","Phosphonium, methyl[2-methyl-2-(4-methylphenyl)propyl]di...","","CC1=CC=C(C=C1)C(C)(C)C[P+](C)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]","LSGNRXUZNBYRAO-UHFFFAOYSA-M","20835892",NA,"PDBC39724","176098","Present"
-"Methyl-[4-methyl-2-(2-nitro-benzenesulfonyl)-phenyl]-amine","","","","","","","","","","","","","","","","","","","","Methyl-[4-methyl-2-(2-nitro-benzenesulfonyl)-phenyl]-amine","","CC1=CC(=C(C=C1)NC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","MIOQKLFEBBWXNP-UHFFFAOYSA-N","381406",NA,"PDBC39725","667951","Present"
-"Methyl-azatoxin","","","","","","","","","","","","","","","","","","","","Methyl-azatoxin","","COC1=CC(=CC(=C1OC)OC)C2C3=C(CC4N2C(=O)OC4)C5=CC=CC=C5N3","SCLLIEKCYQJGGW-SZQRVLIRSA-N","378898",NA,"PDBC39726","662306","Present"
-"Methyl-tris(prop-2-ynyl)azanium;bromide","","","","","","","","","","","","","","","","","","","","Methyl-tris(prop-2-ynyl)azanium;bromide","","C[N+](CC#C)(CC#C)CC#C.[Br-]","ZYHKAADLOLJFSV-UHFFFAOYSA-M","361624",NA,"PDBC39727","624842","Present"
-"Methylatropine bromide","","","","","","","","","","","","","","","","","","","","tropin","","C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]","XMLNCADGRIEXPK-UHFFFAOYSA-M","17882",NA,"PDBC39728","61810","Present"
-"Methylbenzoprim","","","","","","","","","","","","","","","","","","","","2,4-Pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl...","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]","NUFNKYNBZYIQDG-UHFFFAOYSA-N","72438",NA,"PDBC39729","382035","Present"
-"Methylcarbamic acid (9-methoxy-11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl ester","","","","","","","","","","","","","","","","","","","","(9-Methoxy-11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl methylcarbamate","","CC1=C2C=NC=CC2=C(C3=C1C4=C(N3)C=CC(=C4)OC)COC(=O)NC","KCKJVLUFUWEYGI-UHFFFAOYSA-N","364734",NA,"PDBC39730","631392","Present"
-"Methylcarbamic acid (9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)methyl ester","","","","","","","","","","","","","","","","","","","","Methylcarbamic acid (9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)methyl ester","","CC1=C2C=CNC(=C2C=C3C1=NC4=C3C=C(C=C4)OC)COC(=O)NC","SGVPCJPJHRAJLK-UHFFFAOYSA-N","364735",NA,"PDBC39731","631393","Present"
-"Methylcarbamic acid [1-methyl-2-(methylthio)-4-(hydroxymethyl)-1H-imidazol-5-yl]methyl ester","","","","","","","","","","","","","","","","","","","","[4-(Hydroxymethyl)-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methyl methylcarbamate","","CNC(=O)OCC1=C(N=C(N1C)SC)CO","XYUWDDWTOVFTPN-UHFFFAOYSA-N","361117",NA,"PDBC39732","623927","Present"
-"Methylcarbamic acid [1-methyl-2-(methylthio)-5-(hydroxymethyl)-1H-imidazol-4-yl]methyl ester","","","","","","","","","","","","","","","","","","","","[5-(Hydroxymethyl)-1-methyl-2-(methylsulfanyl)-1H-imidazol-4-yl]methyl methylcarbamate","","CNC(=O)OCC1=C(N(C(=N1)SC)C)CO","JYCOUUFGQFYXBQ-UHFFFAOYSA-N","361110",NA,"PDBC39733","623919","Present"
-"Methylene bis(4-methylbenzenesulfonate)","","","","","","","","","","","","","","","","","","","","methanediol, di-p-toluenesulfonate (9ci)","","CC1=CC=C(C=C1)S(=O)(=O)OCOS(=O)(=O)C2=CC=C(C=C2)C","LEXULLPDKRNGQG-UHFFFAOYSA-N","330356",NA,"PDBC39734","318486","Present"
-"Methylene blue","","","","","","","","","","","","","","","","","","","","Methylene Blue///NSC759135","","CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]","CXKWCBBOMKCUKX-UHFFFAOYSA-M","6099",NA,"PDBC39735","617593///759135","Present"
-"Methylene dimethanesulfonate","","","","","","","","","","","","","","","","","","","","mdms","","CS(=O)(=O)OCOS(=O)(=O)C","IQLZWWDXNXZGPK-UHFFFAOYSA-N","9083",NA,"PDBC39736","171337","Present"
-"Methylene green","","","","","","","","","","","","","","","","","","","","methylene green (van)","","CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C(=C3S2)[N+](=O)[O-].[Cl-]","YYGBVRCTHASBKD-UHFFFAOYSA-M","75889",NA,"PDBC39737","9403","Present"
-"Methylene violet","","","","","","","","","","","","","","","","","","","","methylene violet","","CN(C)C1=CC2=C(C=C1)N=C3C=CC(=O)C=C3S2","ALJHHTHBYJROOG-UHFFFAOYSA-N","73024",NA,"PDBC39738","187694","Present"
-"Methylestradiol","","","","","","","","","","","","","","","","","","","","Methylestradiol","","CC12CCC3C(C1CCC2(C)O)CCC4=C3C=CC(=C4)O","JXQJDYXWHSVOEF-GFEQUFNTSA-N","66413",NA,"PDBC39739","52245","Present"
-"Methylhydroquinone","","","","","","","","","","","","","","","","","","","","p-Toluhydroquinol","","CC1=C(C=CC(=C1)O)O","CNHDIAIOKMXOLK-UHFFFAOYSA-N","7253",NA,"PDBC39740","4962","Present"
-"Methylmercury dicyandiamide","","","","","","","","","","","","","","","","","","","","agrosol","","C[Hg]N=C(N)NC#N","JVJUWCMBRUMDDQ-UHFFFAOYSA-N","16698637",NA,"PDBC39741","20000","Present"
-"Methylphenol","","","","","","","","","","","","","","","","","","","","cresol","","CC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O.CC1=CC=CC=C1O","QTWJRLJHJPIABL-UHFFFAOYSA-N","24693",NA,"PDBC39742","21061","Present"
-"Methylprotoneodioscin","","","","","","","","","","","","","","","","","","","","Methylprotoneodioscin","","CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC","HSSJYSJXBOCKQM-BFMTYGSCSA-N","6712586",NA,"PDBC39743","698791","Present"
-"Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide","","","","","","","","","","","","","","","","","","","","Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide","","CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F","LAGQNGWYNLUQRI-UHFFFAOYSA-N","16211009",NA,"PDBC39744","747259","Present"
-"Methyltris(2-methylphenyl)phosphanium bromide","","","","","","","","","","","","","","","","","","","","Methyltris(2-methylphenyl)phosphanium bromide","","CC1=CC=CC=C1[P+](C)(C2=CC=CC=C2C)C3=CC=CC=C3C.[Br-]","CXANYJTYGRIEPW-UHFFFAOYSA-M","24195677",NA,"PDBC39745","193771","Present"
-"Metoclopramide hydrochloride","","","","","","","","","","","","","","","","","","","","Maxolon","","CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.Cl","RVFUNJWWXKCWNS-UHFFFAOYSA-N","23659",NA,"PDBC39746","354467","Present"
-"Metofoline","","","","","","","","","","","","","","","","","","","","versidyne","","CN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)OC)OC","YBCPYHQFUMNOJG-UHFFFAOYSA-N","16538",NA,"PDBC39747","169889","Present"
-"Metoprine","","","","","","","","","","","","","","","","","","","","ddmp","","CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl","VQJHOPSWBGJHQS-UHFFFAOYSA-N","24466",NA,"PDBC39748","7364","Present"
-"Mexicanine E","","","","","","","","","","","","","","","","","","","","mexicanin e","","CC1CC2C(CC3C1C=CC3=O)C(=C)C(=O)O2","GQOWVFHMXITOCQ-UHFFFAOYSA-N","319598",NA,"PDBC39749","264054","Present"
-"Michellamine B diacetic acid salt","","","","","","","","","","","","","","","","","","","","MICHELLAMINE B","","CC1CC2=C(C(=CC(=C2C(N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C8CC(NC(C8=C(C=C7O)O)C)C)O.CC(=O)O","IHCBLDDSPLYUGN-JPIABUGISA-N","16683588",NA,"PDBC39750","661755","Present"
-"Microcephalin","","","","","","","","","","","","","","","","","","","","Microcephalin","","CC1(CCC(C2(C1CC3C(C2)OC(=O)C3=C)C)O)O","PHYFACKULSRHQU-OYFKMHTJSA-N","257281",NA,"PDBC39751","85245","Present"
-"Microcystin-LR","","","","","","","","","","","","","","","","","","","","Microcystin LR","","CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C","ZYZCGGRZINLQBL-GWRQVWKTSA-N","445434",NA,"PDBC39752","733608","Present"
-"Microzelanicum","","","","","","","","","","","","","","","","","","","","Microzelanicum","","CC12C(OC(=O)C1O2)C3=C(C=C4C(=C3)C=CC(=O)O4)OC","OTFLUBRPYSLVCB-UHFFFAOYSA-N","359651",NA,"PDBC39753","620857","Present"
-"Miharamycin hydrochloride","","","","","","","","","","","","","","","","","","","","Miharamycin hydrochloride","","","","",NA,"PDBC39754","118340","Present"
-"Mikamycin, B grade","","","","","","","","","","","","","","","","","","","","Mikamycin, B grade","","CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C.CC1C=CC(=O)NCC=CC(=CC(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C","YVMBAUWDIGJRNY-RZZOLLLTSA-N","11979458",NA,"PDBC39755","125176","Present"
-"Mikanin","","","","","","","","","","","","","","","","","","","","Mikanin","","CC12CC3C(C4C=C(C5C(C1O2)O5)C(=O)O4)C(=C)C(=O)O3","JRZGAAFGODYEEA-UHFFFAOYSA-N","5140086",NA,"PDBC39756","94037","Present"
-"Milademetan","","","","","","","","","","","","","","","","","","","","milademetan","","CC1(CCC2(CC1)C3(C(C(N2)C(=O)NC4CCC(OC4)C(=O)N)C5=C(C(=NC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O)C","RYAYYVTWKAOAJF-QISPRATLSA-N","73297272",NA,"PDBC39757","800893","Present"
-"Miliusane A","","","","","","","","","","","","","","","","","","","","Miliusane A","","CC(=CCCC(=CC1C2(CC(C=CC2=O)O)CC(=O)O1)C)C","LZYGZWJAFQLDDH-IZHUOMKQSA-N","24204084",NA,"PDBC39758","730563","Present"
-"Miliusane B","","","","","","","","","","","","","","","","","","","","Miliusane B","","CC(=CCCC(=CC1C2(CC(C(CC2=O)OC)O)CC(=O)O1)C)C","RNXGMPDMYPADJI-IMGGVRDPSA-N","24204085",NA,"PDBC39759","730564","Present"
-"Miliusate","","","","","","","","","","","","","","","","","","","","Miliusate","","CC(=CCCC(=CC1C2(CC(C=CC2=O)OC(=O)C)CC(=O)O1)C)C","PXCPYWFVMWHLIE-VFDYJAQGSA-N","24204086",NA,"PDBC39760","730565","Present"
-"Milling Red G","","","","","","","","","","","","","","","","","","","","milling red g","","C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)SC4=CC=C(C=C4)N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)O)O","WFRSJMGBYITKEB-UHFFFAOYSA-N","415836",NA,"PDBC39761","73416","Present"
-"Milodistim","","","","","","","","","","","","","","","","","","","","Milodistim","","","","",NA,"PDBC39762","645014","Present"
-"Miltefosine","","","","","","","","","","","","","","","","","","","","miltefosin c///MILTEFOSINE","","CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C","PQLXHQMOHUQAKB-UHFFFAOYSA-N","3599",NA,"PDBC39763","605583///758968","Present"
-"Miltirone","","","","","","","","","","","","","","","","","","","","Miltirone","","CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O","FEFAIBOZOKSLJR-UHFFFAOYSA-N","160142",NA,"PDBC39764","639662","Present"
-"Mimbane","","","","","","","","","","","","","","","","","","","","mimbane (usan)","","CN1C2=CC=CC=C2C3=C1C4CC5CCCCC5CN4CC3","SNMPZBCEJSLAEK-DOXZYTNZSA-N","253676",NA,"PDBC39765","76808","Present"
-"Mimdtc","","","","","","","","","","","","","","","","","","","","Mimdtc","","CSC(=S)NN=CC1=NC=CC2=CC=CC=C21","LNZQMYBCXYTKMH-RIYZIHGNSA-N","9554742",NA,"PDBC39766","614795","Present"
-"Mimini","","","","","","","","","","","","","","","","","","","","Mimini","","CC1=C(ON=C1)NC2=CC(=NC3=C(C=NO3)C)C4=CC=CC=C4C2=O","CKGLNAAYTQCTQK-KGENOOAVSA-N","9571374",NA,"PDBC39767","649749","Present"
-"Mimuscopic acid","","","","","","","","","","","","","","","","","","","","Mimuscopic acid","","CC1(CCC2(CCC3(C(=CCC4=C5CC(C(C(C5(CCC43C)C)(C)CO)O)O)C2C1)C)C(=O)O)C","LCZNLGJYHVTTAT-RALSZBTISA-N","6712545",NA,"PDBC39768","696122","Present"
-"Mimusopside A","","","","","","","","","","","","","","","","","","","","Mimusopside A","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C3CC(CC4C3(CCC5(C4=CCC6C5(CC(C7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)O)C)C)C)(C)C)O)O)O)O)O","AVDGYJJCYUXZBP-SNPXSKCESA-N","390755",NA,"PDBC39769","688512","Present"
-"Mimusopside B","","","","","","","","","","","","","","","","","","","","Mimusopside B","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C3CC(CC4C3C(CC5(C4=CCC6C5(CC(C7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)O)C)C)O)(C)C)O)O)O)O)O","YZSHNISTCVUURM-ZGXDDMQTSA-N","390756",NA,"PDBC39770","688513","Present"
-"Minumicrolin","","","","","","","","","","","","","","","","","","","","Minumicrolin","","CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O)O","DKEANOQWICTXTP-UHFFFAOYSA-N","389002",NA,"PDBC39771","684434","Present"
-"Minwanensin","","","","","","","","","","","","","","","","","","","","Minwanensin","","CC1CC(C2(C13CC(C(C2(C)CO)C)OC(=O)C3)O)O","ZOGSYYGIIXOAJT-NCSTXBNDSA-N","380749",NA,"PDBC39772","666456","Present"
-"Miransertib","","","","","","","","","","","","","","","","","","","","ARQ-092","","C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N","HNFMVVHMKGFCMB-UHFFFAOYSA-N","53262401",NA,"PDBC39773","791328","Present"
-"Miripirium chloride","","","","","","","","","","","","","","","","","","","","quatresin","","CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C.[Cl-]","ZCTSINFCZHUVLI-UHFFFAOYSA-M","17671",NA,"PDBC39774","36338","Present"
-"Misonidazole","","","","","","","","","","","","","","","","","","","","MISONIDAZOLE","","COCC(CN1C=CN=C1[N+](=O)[O-])O","OBBCSXFCDPPXOL-UHFFFAOYSA-N","26105",NA,"PDBC39775","261037","Present"
-"Mitaplatin","","","","","","","","","","","","","","","","","","","","Mitaplatin","","","","",NA,"PDBC39776","748643","Present"
-"Mito-Chromanol Acetate","","","","","","","","","","","","","","","","","","","","Mito-Chromanol Acetate","","CC1=C(C(=C(C2=C1OC(CC2)(C)CC(=O)OCCCCCCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C)OC(=O)C)C","KSKVHWLBKCHCJK-UHFFFAOYSA-N","155811514",NA,"PDBC39777","774816","Present"
-"Mito-MB1-31","","","","","","","","","","","","","","","","","","","","Mito-MB1-31","","C1=CC2=C(C=C1C(F)(F)F)SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)O","XAKYXCGMIMAZNW-UHFFFAOYSA-N","121352660",NA,"PDBC39778","791172","Present"
-"Mito-tempol","","","","","","","","","","","","","","","","","","","","Mito-tempol","","CC1(CC(CC(N1O)(C)C)OCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]","AIQMYWZQFQQTIQ-UHFFFAOYSA-M","54613387",NA,"PDBC39779","747162","Present"
-"Mitoclomine","","","","","","","","","","","","","","","","","","","","Mitoclomine","","CC1=C(C2=CC=CC=C2C(=C1)N(CCCl)CCCl)OC","CLZXREZAEIUCGG-UHFFFAOYSA-N","28694",NA,"PDBC39780","114575","Present"
-"Mitoflaxone","","","","","","","","","","","","","","","","","","","","FLAVONE ACETIC ACID","","C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)CC(=O)O","TZZNWMJZDWYJAZ-UHFFFAOYSA-N","55748",NA,"PDBC39781","347512","Present"
-"Mitomycin C methylamine","","","","","","","","","","","","","","","","","","","","MITOMYCIN C,METHYLAMINE FR. STREPTOMYCES CAESPITOSUS","","CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NC","QMWMHVONMWSXDM-UHFFFAOYSA-N","213803",NA,"PDBC39782","329086","Present"
-"Mitomycin deriv T-73","","","","","","","","","","","","","","","","","","","","t 73","","CCCNC1=C(C(=O)C2=C(C1=O)C(C3(N2CC4C3N4)OC)COC(=O)N)C","MFUIQIIDSGSITA-XIVHWCCNSA-N","275965",NA,"PDBC39783","123115","Present"
-"Mitonafide","","","","","","","","","","","","","","","","","","","","1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-(dimethylami...","","CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]","XXVLKDRPHSFIIB-UHFFFAOYSA-N","327044",NA,"PDBC39784","300288","Present"
-"Mitopodozide","","","","","","","","","","","","","","","","","","","","sp i","","CCNNC(=O)C1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO","CPTIBDHUFVHUJK-NZYDNVMFSA-N","251643",NA,"PDBC39785","72274","Present"
-"Mitorubrinic acid","","","","","","","","","","","","","","","","","","","","Mitorubrinic acid","","CC1=CC(=CC(=C1C(=O)OC2(C(=O)C=C3C=C(OC=C3C2=O)C=CC(=O)O)C)O)O","ZJIWQCFXEQSFGR-YEFOHOTDSA-N","5468104",NA,"PDBC39786","664212","Present"
-"Mitozolomide","","","","","","","","","","","","","","","","","","","","NSC353451","","C1=NC(=C2N1C(=O)N(N=N2)CCCl)C(=O)N","QXYYYPFGTSJXNS-UHFFFAOYSA-N","71766",NA,"PDBC39787","353451","Present"
-"Miuraenamide A","","","","","","","","","","","","","","","","","","","","miuraenamide A","","CC1CCC(=CCCCC(=O)NC(C(=O)N(C(C(=O)NC(=C(C2=CC=CC=C2)OC)C(=O)O1)CC3=CC(=C(C=C3)O)Br)C)C)C","LOOHMHDNJMUEAT-SFHJFPFYSA-N","16080416",NA,"PDBC39788","744763","Present"
-"Mival","","","","","","","","","","","","","","","","","","","","Mival","","C1CO[Si]2(OCCN1CCO2)CCl","METVSRFIOHSNJX-UHFFFAOYSA-N","362521",NA,"PDBC39789","626545","Present"
-"Mivavotinib","","","","","","","","","","","","","","","","","","","","NSC791967///NSC791968","","CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)NC4CCCCC4N","MJHOMTRKVMKCNE-NWDGAFQWSA-N","53252276",NA,"PDBC39790","791967///791968","Present"
-"Mivebresib","","","","","","","","","","","","","","","","","","","","ABBV-075","","CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C","RDONXGFGWSSFMY-UHFFFAOYSA-N","71600087",NA,"PDBC39791","793103","Present"
-"Mivobulin isethionate","","","","","","","","","","","","","","","","","","","","mivobulin isethionate","","CCOC(=O)NC1=NC(=C2C(=C1)NC(C(=N2)C3=CC=CC=C3)C)N.C(CS(=O)(=O)O)O","JEFPWOBULVSOTM-PPHPATTJSA-N","182762",NA,"PDBC39792","635370","Present"
-"Mixture of 9 Chinese herbs","","","","","","","","","","","","","","","","","","","","Mixture of 9 Chinese herbs","","","","",NA,"PDBC39793","640750","Present"
-"Mixture of Cylindricine A and Cylindricine B","","","","","","","","","","","","","","","","","","","","Mixture of Cylindricine A and Cylindricine B","","CCCCCCC1CC(=O)C2CCCCC23N1CC(C3)Cl.CCCCCCC1CC(=O)C2CCCCC23N1C(CC3)CCl","LGAIWSZTSUGXDE-WWUKHNHRSA-N","381027",NA,"PDBC39794","667050","Present"
-"Mixture of Septacidins(90%) with varying length fatty ac...","","","","","","","","","","","","","","","","","","","","Mixture of Septacidins(90%) with varying length fatty ac...","","","","",NA,"PDBC39795","694252","Present"
-"Mixture of Specioside A & B","","","","","","","","","","","","","","","","","","","","Mixture of Specioside A & B","","C1C(C(=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O.C1C(C(=CC(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O","AUXBIANTKGGJDG-KESAZARESA-N","5466956",NA,"PDBC39796","645993","Present"
-"Mmp inhibitor II","","","","","","","","","","","","","","","","","","","","MMP Inhibitor II","","CC1(CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)OC)C","MCSWSPNUKWMZHM-UHFFFAOYSA-N","4218",NA,"PDBC39797","727630","Present"
-"Mmp inhibitor III","","","","","","","","","","","","","","","","","","","","MMP Inhibitor III","","CC(C)CC(CC(=O)NO)C(=O)NC(CCC1=CC=CC=C1)C(=O)NC","FQRZOEBSTPAQBJ-UHFFFAOYSA-N","4219",NA,"PDBC39798","727631","Present"
-"Mmp-2/mmp-9 inhibitor II","","","","","","","","","","","","","","","","","","","","MMP-2/MMP-9 Inhibitor II","","C1=CC=C(C=C1)CC(C(=O)NO)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3","UPCAIRKRFXQRRM-HXUWFJFHSA-N","9822095",NA,"PDBC39799","727634","Present"
-"Mmp-2/mmp-9 inhibitor i","","","","","","","","","","","","","","","","","","","","MMP-2/MMP-9 Inhibitor I","","C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3","JBYHBQIDTNHWJF-HXUWFJFHSA-N","10667540",NA,"PDBC39800","727633","Present"
-"Mn(II) 3,5-diiodosalicylate","","","","","","","","","","","","","","","","","","","","Mn(II) 3,5-diiodosalicylate","","C1=C(C=C(C(=C1C(=O)[O-])[OH2+])I)I.C1=C(C=C(C(=C1C(=O)[O-])[OH2+])I)I.[Mn+2]","XCXVDWIXRGHXQR-UHFFFAOYSA-N","54608654",NA,"PDBC39801","619907","Present"
-"Mniopetal E","","","","","","","","","","","","","","","","","","","","Mniopetal E","","CC1(CC(C(C23C1CC=C(C2C(OC3=O)O)C=O)O)O)C","FCQQCKZJCMQQPN-DKCZEEBHSA-N","385565",NA,"PDBC39802","676839","Present"
-"Mnitmt","","","","","","","","","","","","","","","","","","","","Mnitmt","","CN1C=NC(=C1SC2=NN=CN2C)[N+](=O)[O-]","NMBDIMPYACLUDE-UHFFFAOYSA-N","364622",NA,"PDBC39803","631156","Present"
-"Mobocertinib","","","","","","","","","","","","","","","","","","","","Mobocertinib","","CC(C)OC(=O)C1=CN=C(N=C1C2=CN(C3=CC=CC=C32)C)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC","AZSRSNUQCUDCGG-UHFFFAOYSA-N","118607832",NA,"PDBC39804","825519","Present"
-"Mollugogenol-A","","","","","","","","","","","","","","","","","","","","Mollugogenol-A","","CC1(C(CCC2(C1C(CC3(C2CCC4C3(CC(C5C4(CCC5C(C)(C)O)C)O)C)C)O)C)O)C","USLXSBTYECTZSS-PJOSVWSESA-N","368560",NA,"PDBC39805","639634","Present"
-"Mollugogenol-A glycoside","","","","","","","","","","","","","","","","","","","","Mollugogenol-A glycoside","","","","",NA,"PDBC39806","639635","Present"
-"Molybdate(6-), hexatriaconta-.mu.-oxooctadecaoxobis[.mu....","","","","","","","","","","","","","","","","","","","","Molybdate(6-), hexatriaconta-.mu.-oxooctadecaoxobis[.mu....","","","","",NA,"PDBC39807","622124","Present"
-"Mongolicain","","","","","","","","","","","","","","","","","","","","Mongolicain","","C1C(C(OC2=C1C(=CC3=C2C4C5C6C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C(=C1O)O)O)C1=C(C(=O)C4(C1C(=O)O5)O3)O)C(=O)O6)O)O)O)O)C1=CC(=C(C=C1)O)O)O","GCVPUYDXNUQSNY-XJFXALPKSA-N","16132415",NA,"PDBC39808","676822","Present"
-"Moniliformin","","","","","","","","","","","","","","","","","","","","MONILIFORMIN","","C1=C(C(=O)C1=O)O","KGPQKNJSZNXOPV-UHFFFAOYSA-N","40452",NA,"PDBC39809","292896","Present"
-"Monoacetyl verrucarin A epoxide","","","","","","","","","","","","","","","","","","","","Monoacetyl verrucarin A epoxide","","CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C1OC(=O)C)C)CO4","JDFKYDYICWYZMF-KQQUZDAGSA-N","5477096",NA,"PDBC39810","292463","Present"
-"Monoanhydride with sulfuric acid","","","","","","","","","","","","","","","","","","","","coralyne sulfoacetate","","CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O","KRPNDEFBHRAWPW-UHFFFAOYSA-M","5351242",NA,"PDBC39811","154890","Present"
-"Monocrotalin","","","","","","","","","","","","","","","","","","","","monocrotalin","","CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O","QVCMHGGNRFRMAD-RKWGGURWSA-N","231893",NA,"PDBC39812","28693","Present"
-"Monocrotaline N-oxide","","","","","","","","","","","","","","","","","","","","monocrotaline n-oxide","","CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-]","LHVAZUAALQTANZ-UHFFFAOYSA-N","197173",NA,"PDBC39813","108378","Present"
-"Monoethanolamine-germane","","","","","","","","","","","","","","","","","","","","Monoethanolamine-germane","","","","",NA,"PDBC39814","638259","Present"
-"Monoethylbenzalmalonate","","","","","","","","","","","","","","","","","","","","Monoethylbenzalmalonate","","CCOC(=O)C(=CC1=CC=CC=C1)C(=O)O","BHKULYKFSYZBQR-NTMALXAHSA-N","643851",NA,"PDBC39815","643763","Present"
-"Monomethyl auristatin E","","","","","","","","","","","","","","","","","","","","NSC791792","","CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC","DASWEROEPLKSEI-UIJRFTGLSA-N","11542188",NA,"PDBC39816","791792","Present"
-"Monosodium rifamycin SV","","","","","","","","","","","","","","","","","","","","rifocin","","CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C.[Na+]","YVOFSHPIJOYKSH-JTHRCLANSA-N","54598449",NA,"PDBC39817","133100","Present"
-"Mordant black 1","","","","","","","","","","","","","","","","","","","","chrome black s","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-])O.[Na+]","DXRWYIKGBIPGAG-UHFFFAOYSA-N","135534311",NA,"PDBC39818","73413","Present"
-"Morindaparvin A","","","","","","","","","","","","","","","","","","","","Morindaparvin A","","C1OC2=C(O1)C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","YBXYYSSRAZPEGN-UHFFFAOYSA-N","73072",NA,"PDBC39819","363177","Present"
-"Morpholine, 4,4'-(hexahydro-2,6,3,5-ethanediylidene-2H-pentaleno(1,6-bc)furan-2,6a(2aH)-diyl)bis-","","","","","","","","","","","","","","","","","","","","Morpholine, 4,4'-(hexahydro-2,6,3,5-ethanediylidene-2H-p...","","C1COCCN1C23C4C5CC6C4C(O2)(C7C6C5C37)N8CCOCC8","PAVVWRIOHJQCFS-UHFFFAOYSA-N","385832",NA,"PDBC39820","677229","Present"
-"Morpholine,4'-(3,4-dichloro-2,4-dinitro-1,3-butadiene-1,1-diyl)bis-, (1E,3E)-","","","","","","","","","","","","","","","","","","","","Morpholine, 4,4'-(3,4-dichloro-2,4-dinitro-1,3-butadiene...","","C1COCCN1C(=C(C(=C([N+](=O)[O-])Cl)Cl)[N+](=O)[O-])N2CCOCC2","SIZGHGKKZYNVSN-LUAWRHEFSA-N","1618703",NA,"PDBC39821","698395","Present"
-"Morpholine-N-dithiocarbamate","","","","","","","","","","","","","","","","","","","","Morpholine-N-dithiocarbamate","","C1COCCN1.C1COCCN1C(=S)S","MQYWTQLRFOFUSI-UHFFFAOYSA-N","72675",NA,"PDBC39822","4114","Present"
-"Morpholine-cyclohexenamine Nitric Oxide Adduct","","","","","","","","","","","","","","","","","","","","Morpholine-cyclohexenamine Nitric Oxide Adduct","","C1CCC(=[N+]2CCOCC2)C(C1)[N+](=N[O-])[O-]","QXEWUFPSBCUREC-ACCUITESSA-N","135510115",NA,"PDBC39823","634221","Present"
-"Morpholinoadriamycin","","","","","","","","","","","","","","","","","","","","Morpholinodoxorubicin","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6)O.Cl","INAUWOVKEZHHDM-PYBHCKQVSA-N","24200030",NA,"PDBC39824","354646","Present"
-"Morphothebaine hydrochloride","","","","","","","","","","","","","","","","","","","","Morphothebaine, hydrochloride","","CN1CCC2=C3C1CC4=C(C3=CC(=C2)O)C(=C(C=C4)OC)O.Cl","PKNXICFDFBSZMX-PFEQFJNWSA-N","54603819",NA,"PDBC39825","43486","Present"
-"Motexafin","","","","","","","","","","","","","","","","","","","","Motexafin","","","","",NA,"PDBC39826","761266","Present"
-"Motolimod","","","","","","","","","","","","","","","","","","","","VTX-2337","","CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCCC4)N=C(C1)N","QSPOQCXMGPDIHI-UHFFFAOYSA-N","16049404",NA,"PDBC39827","777447","Present"
-"Moxisylyte hydrochloride","","","","","","","","","","","","","","","","","","","","Moxisylyte hydrochloride","","CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C.Cl","IPWGSXZCDPTDEH-UHFFFAOYSA-N","6420039",NA,"PDBC39828","170448","Present"
-"Mpc-3100","","","","","","","","","","","","","","","","","","","","MPC-3100","","CC(C(=O)N1CCC(CC1)CCN2C3=NC=NC(=C3N=C2SC4=C(C=C5C(=C4)OCO5)Br)N)O","CVBWTNHDKVVFMI-LBPRGKRZSA-N","57336747",NA,"PDBC39829","765395","Present"
-"Mth-DL-aspartic acid","","","","","","","","","","","","","","","","","","","","Mth-DL-aspartic acid","","CN1C(=O)C(NC1=S)CC(=O)O","GRCYIUAJHMPVEH-UHFFFAOYSA-N","3849003",NA,"PDBC39830","610933","Present"
-"Mtor inhibitor-7","","","","","","","","","","","","","","","","","","","","PQR-626","","CC1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)F)N)N4C(COCC4C)C","YXQKBQLVKBUCLZ-UPJWGTAASA-N","121334440",NA,"PDBC39831","828318","Present"
-"Mucocin","","","","","","","","","","","","","","","","","","","","Mucocin","","CCCCCCCCCCC1C(CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O","PIKSSLVYUFERQJ-TZMMOZJRSA-N","393474",NA,"PDBC39832","695407","Present"
-"Mucofluid","","","","","","","","","","","","","","","","","","","","Mesna","","C(CS(=O)(=O)O)S.[Na+]","XOGTZOOQQBDUSI-UHFFFAOYSA-N","20545680",NA,"PDBC39833","113891","Present"
-"Multistatin","","","","","","","","","","","","","","","","","","","","Multistatin","","CC=C(C)C(=O)OC1C2C(C(=O)C(C3C1(C(=O)C=C3)C)C)OC(=O)C2=C","YPIMMVOHCVOXKT-CXMZHGGDSA-N","5319944",NA,"PDBC39834","280414","Present"
-"Munitagine, (-)-","","","","","","","","","","","","","","","","","","","","Munitagine, (-)-","","CN1C2CC3=C(C1CC4=CC(=C(C=C24)O)OC)C(=C(C=C3)OC)O","PLGXEPHZCXBYLP-UHFFFAOYSA-N","288123",NA,"PDBC39835","148828","Present"
-"Muramine","","","","","","","","","","","","","","","","","","","","muramine","","CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C(=C(C=C3)OC)OC)OC)OC","HUIJAZQRYSCNED-UHFFFAOYSA-N","288122",NA,"PDBC39836","148827","Present"
-"Murexine hydroxide","","","","","","","","","","","","","","","","","","","","murexine hydroxide","","C[N+](C)(C)CCOC(=O)C=CC1=CN=CN1.[OH-]","WAUIMFPHUPDWIR-UHFFFAOYSA-N","5458496",NA,"PDBC39837","257903","Present"
-"Muricatin methyl ester","","","","","","","","","","","","","","","","","","","","muricatin-me-ester","","CC1C(CC2C1C3C(C(CC2=C)OC(=O)C(=C)CO)C(=C)C(=O)O3)O.CO","IWMCOBGYEMBVSB-UHFFFAOYSA-N","324971",NA,"PDBC39838","292211","Present"
-"Murrayaline B","","","","","","","","","","","","","","","","","","","","Murrayaline B","","CC1=CC2=C(C=C1O)NC3=C2C=CC(=C3C=O)OC","QEHQROIDNXGBER-UHFFFAOYSA-N","375154",NA,"PDBC39839","654288","Present"
-"Murrayaquinone A","","","","","","","","","","","","","","","","","","","","Murrayaquinone A","","CC1=CC(=O)C2=C(C1=O)C3=CC=CC=C3N2","XJTABSPWPMYLQX-UHFFFAOYSA-N","127481",NA,"PDBC39840","654274","Present"
-"Murrayaquinone B","","","","","","","","","","","","","","","","","","","","Murrayaquinone B","","CC1=CC(=O)C2=C(C1=O)C3=C(N2)C(=C(C=C3)OC)CC=C(C)C","OGAOEVNTXBSKER-UHFFFAOYSA-N","375141",NA,"PDBC39841","654275","Present"
-"Muscimol","","","","","","","","","","","","","","","","","","","musc","","","C1=C(ONC1=O)CN","ZJQHPWUVQPJPQT-UHFFFAOYSA-N","4266",NA,"PDBC39842","","Absent"
-"Musennin","","","","","","","","","","","","","","","","","","","","Musennin","","CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C(=O)O)C","ZMEIKTTXONUYNX-UHFFFAOYSA-N","267361",NA,"PDBC39843","106554","Present"
-"Mycosinol","","","","","","","","","","","","","","","","","","","","Mycosinol","","CC#CC#CC=C1C=CC2(O1)C(C=CO2)O","FZRGCIPZQGXDCM-IZZDOVSWSA-N","5281153",NA,"PDBC39844","653382","Present"
-"Mycothiazole","","","","","","","","","","","","","","","","","","","","Mycothiazole","","CC(C)(C1=NC(=CS1)CC=CCC=C)C(CC=CC(=C)CCNC(=O)OC)O","WOVFSYAJXQSJES-BNFZFUHLSA-N","5926799",NA,"PDBC39845","647640","Present"
-"Mycotoxin HT 2","","","","","","","","","","","","","","","","","","","","toxin ht2","","CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C","PNKLMTPXERFKEN-ZIOSACBISA-N","322238",NA,"PDBC39846","278571","Present"
-"Myelobromol","","","","","","","","","","","","","","","","","","","","NSC104800///Dibromodulcitol","","C(C(C(C(C(CBr)O)O)O)O)Br","VFKZTMPDYBFSTM-UHFFFAOYSA-N","4208",NA,"PDBC39847","104800///616232","Present"
-"Myli-4(15)-en-9-one","","","","","","","","","","","","","","","","","","","","myli-4(15)-en-9-one","","CC1(C2C1C34C(C3(C(=O)C2)C)CCC4=C)C","HKUMSCVSDLYTMZ-DHGZTZOCSA-N","5471035",NA,"PDBC39848","707627","Present"
-"Mylnqtfufymusq-uhfffaoysa-","","","","","","","","","","","","","","","","","","","","6,7-dihydro-3-spiro(1-benzylpiperidin-4-yl)-5H-imidazo[2...","","C1CN(CCC12N3CCN=C3NO2)CC4=CC=CC=C4","MYLNQTFUFYMUSQ-UHFFFAOYSA-N","11108479",NA,"PDBC39849","727193","Present"
-"Myricetin 3-rhamnoside","","","","","","","","","","","","","","","","","","","","myricitrin","","CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O","DCYOADKBABEMIQ-UHFFFAOYSA-N","5352000",NA,"PDBC39850","19803","Present"
-"Myricoidine Picrate","","","","","","","","","","","","","","","","","","","","Myricoidine Picrate","","CCC=CCC=CC1CC(=O)NCCCNCCCCN1","LUOMCXKCIGOCHI-YVCTXXAJSA-N","5387595",NA,"PDBC39851","625008","Present"
-"Myristoyl tetrazole","","","","","","","","","","","","","","","","","","","","Myristoyl tetrazole","","CCCCCCCCCCCCCC1=NNN=N1","RTWHYWRWPCJLMG-UHFFFAOYSA-N","363886",NA,"PDBC39852","629265","Present"
-"Mystixin-11","","","","","","","","","","","","","","","","","","","","Mystixin-11","","CCC(C)C(C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CC1=CC=CS1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CC(C)C)N","CUCWTWFWSPINNC-OISXETIVSA-N","6712629",NA,"PDBC39853","701996","Present"
-"Mystixin-7","","","","","","","","","","","","","","","","","","","","Mystixin-7","","CCC(C)C(C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CC1=CC=CS1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C2=CC=C(C=C2)OC","QNBRJIXGUZPOKD-UHFFFAOYSA-N","3959620",NA,"PDBC39854","701997","Present"
-"N 4-(2-Phenylbenzothiazole),N'(amino propan-3-ole)thiourea","","","","","","","","","","","","","","","","","","","","N 4-(2-Phenylbenzothiazole),N'(amino propan-3-ole)thiourea","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCCCO","XBGDYUGIPNJHBP-UHFFFAOYSA-N","24202661",NA,"PDBC39855","725673","Present"
-"N 4-(2-Phenylbenzothiazole),N'(p-chlorophenyl)thiourea","","","","","","","","","","","","","","","","","","","","N 4-(2-Phenylbenzothiazole),N'(p-chlorophenyl)thiourea","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl","SVDMFZXSRALRAJ-UHFFFAOYSA-N","24202662",NA,"PDBC39856","725674","Present"
-"N''-(1-Benzyl-3-(dimethylamino)-2-phenylpropylidene)thiocarbonohydrazide","","","","","","","","","","","","","","","","","","","","1-Amino-3-[(Z)-[1-benzyl-3-(dimethylamino)-2-phenyl-propylidene]amino]thiourea","","CN(C)CC(C1=CC=CC=C1)C(=NNC(=S)NN)CC2=CC=CC=C2","WRKAJEFZCXGQOX-PYCFMQQDSA-N","6165840",NA,"PDBC39857","641819","Present"
-"N''-(2-Amino-1,2-dicyanovinyl)-N'-(1-methylethylidene)imidoformic hydrazide","","","","","","","","","","","","","","","","","","","","N''-(2-Amino-1,2-dicyanovinyl)-N'-(1-methylethylidene)imidoformic hydrazide","","CC(=NNC=NC(=C(C#N)N)C#N)C","PWYCAGLMGKFSQB-FPLPWBNLSA-N","3004651",NA,"PDBC39858","659338","Present"
-"N''-Cyano-N,N'-bis(2-hydroxyethyl)guanidine","","","","","","","","","","","","","","","","","","","","1-Cyano-2,3-bis(2-hydroxyethyl)guanidine","","C(CO)NC(=NCCO)NC#N","TWFHGNBCFMEVIV-UHFFFAOYSA-N","370393",NA,"PDBC39859","643487","Present"
-"N''-Hydroxy-2-phenylethanehydrazonohydrazide","","","","","","","","","","","","","","","","","","","","N-Amino-N'-(hydroxyamino)-2-phenyl-acetamidine","","C1=CC=C(C=C1)CC(=NN)NNO","LZQXHDXKMNMJCO-UHFFFAOYSA-N","5878751",NA,"PDBC39860","647080","Present"
-"N''-[(1Z,2E)-1,3-Bis(4-chlorophenyl)but-2-en-1-ylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","2-[(Z)-[(E)-1,3-Bis(4-chlorophenyl)but-2-enylidene]amino]guanidine;hydrochloride","","CC(=CC(=NN=C(N)N)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl.Cl","QTCLZZDTCCPKOA-ZEJDMSDLSA-N","54602148",NA,"PDBC39861","305762","Present"
-"N''-[(E)-(3,5-Dichloro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5-methyl-3-phenyl-4-isoxazolecarbohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide","","CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=C(C(=CC(=C3)Cl)Cl)O","MKOPGRMSHHCCTE-ZVBGSRNCSA-N","135452579",NA,"PDBC39862","328090","Present"
-"N''-[(E)-([1,1'-Biphenyl]-4-yl)methylidene]-N-nitrocarbonohydrazonic diamide","","","","","","","","","","","","","","","","","","","","1-Nitro-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine","","C1=CC=C(C=C1)C2=CC=C(C=C2)C=NN=C(N)N[N+](=O)[O-]","NNQOUGSRYAOXIV-MHWRWJLKSA-N","24189043",NA,"PDBC39863","82655","Present"
-"N''-[(Z)-(2-Fluorophenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","2-[(Z)-[(2-Fluorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride","","C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=CC=C2F.Cl","XMTIMTSDEBFEKX-AAKIMCHBSA-N","54608243",NA,"PDBC39864","67477","Present"
-"N''-[(Z)-(4-Fluorophenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","Guanidine, [(p-fluoro-.alpha.-phenylbenzylidene)amino]-,...","","C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=C(C=C2)F.Cl","VZWIGDGBBNXWOI-AAKIMCHBSA-N","54599426",NA,"PDBC39865","68088","Present"
-"N''-[(Z)-(4-Methylphenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","2-[(Z)-[(4-Methylphenyl)-phenylmethylidene]amino]guanidine;hydrochloride","","CC1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=CC=C2.Cl","YTWGXMAKSLJSRZ-NYAKATHWSA-N","54603621",NA,"PDBC39866","67478","Present"
-"N',2-Bis(2,3-dimethylphenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(2,3-dimethylphenyl)diazenecarbohydrazide","","CC1=C(C(=CC=C1)NNC(=O)N=NC2=CC=CC(=C2C)C)C","MYDVWQBOZMNHAC-UHFFFAOYSA-N","383229",NA,"PDBC39867","671344","Present"
-"N',2-Bis(2,4-bis(hydroxy(oxido)amino)phenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(2,4-bis(hydroxy(oxido)amino)phenyl)diazenecarbohydrazide","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NNC(=O)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","MAXMLWFOSLPBHM-UHFFFAOYSA-N","5122708",NA,"PDBC39868","671337","Present"
-"N',2-Bis(2,4-dichlorophenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","1,5-di(2,4-dichlorophenyl)carbazone","","C1=CC(=C(C=C1Cl)Cl)NNC(=O)N=NC2=C(C=C(C=C2)Cl)Cl","DNKSUAOJBACASX-UHFFFAOYSA-N","383226",NA,"PDBC39869","671341","Present"
-"N',2-Bis(2,5-dichlorophenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(2,5-dichlorophenyl)diazenecarbohydrazide","","C1=CC(=C(C=C1Cl)NNC(=O)N=NC2=C(C=CC(=C2)Cl)Cl)Cl","GWJVRRDKWIKVOO-UHFFFAOYSA-N","383231",NA,"PDBC39870","671346","Present"
-"N',2-Bis(2-bromo-4-methylphenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(2-bromo-4-methylphenyl)diazenecarbohydrazide","","CC1=CC(=C(C=C1)NNC(=O)N=NC2=C(C=C(C=C2)C)Br)Br","VJHPYEBEVMZZJT-UHFFFAOYSA-N","383217",NA,"PDBC39871","671332","Present"
-"N',2-Bis(2-bromophenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(2-bromophenyl)diazenecarbohydrazide","","C1=CC=C(C(=C1)NNC(=O)N=NC2=CC=CC=C2Br)Br","AJASNKMNMURWOG-UHFFFAOYSA-N","383227",NA,"PDBC39872","671342","Present"
-"N',2-Bis(2-chlorophenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(2-chlorophenyl)diazenecarbohydrazide","","C1=CC=C(C(=C1)NNC(=O)N=NC2=CC=CC=C2Cl)Cl","OWJCFKXXPSKMEY-UHFFFAOYSA-N","383224",NA,"PDBC39873","671339","Present"
-"N',2-Bis(2-ethylphenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(2-ethylphenyl)diazenecarbohydrazide","","CCC1=CC=CC=C1NNC(=O)N=NC2=CC=CC=C2CC","LXLHPCCZZSVGIA-UHFFFAOYSA-N","383219",NA,"PDBC39874","671334","Present"
-"N',2-Bis(3-(hydroxy(oxido)amino)-4-methylphenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(3-(hydroxy(oxido)amino)-4-methylphenyl)diazenecarbohydrazide","","CC1=C(C=C(C=C1)NNC(=O)N=NC2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]","VLVMHJRTEMHZIN-UHFFFAOYSA-N","4272127",NA,"PDBC39875","671336","Present"
-"N',2-Bis(3-chloro-2-methylphenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(3-chloro-2-methylphenyl)diazenecarbohydrazide","","CC1=C(C=CC=C1Cl)NNC(=O)N=NC2=C(C(=CC=C2)Cl)C","LZVBKJVROQJPHZ-UHFFFAOYSA-N","383223",NA,"PDBC39876","671338","Present"
-"N',2-Bis(3-chlorophenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","3-[(3-chlorophenyl)amino]-1-(3-chlorophenyl)imino-urea","","C1=CC(=CC(=C1)Cl)NNC(=O)N=NC2=CC(=CC=C2)Cl","RIOKDISWXYIHCQ-UHFFFAOYSA-N","383228",NA,"PDBC39877","671343","Present"
-"N',2-Bis(4-(hydroxy(oxido)amino)-2-methylphenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(4-(hydroxy(oxido)amino)-2-methylphenyl)diazenecarbohydrazide","","CC1=C(C=CC(=C1)[N+](=O)[O-])NNC(=O)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C","QULYQBKLIJCBJX-UHFFFAOYSA-N","3591207",NA,"PDBC39878","671335","Present"
-"N',2-Bis(4-(hydroxy(oxido)amino)phenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(4-(hydroxy(oxido)amino)phenyl)diazenecarbohydrazide","","C1=CC(=CC=C1NNC(=O)N=NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","BXHXDHQLTNPQEU-UHFFFAOYSA-N","3768780",NA,"PDBC39879","671333","Present"
-"N',2-Bis(4-bromophenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(4-bromophenyl)diazenecarbohydrazide","","C1=CC(=CC=C1NNC(=O)N=NC2=CC=C(C=C2)Br)Br","YMUUVSDUCNXTIA-UHFFFAOYSA-N","383233",NA,"PDBC39880","671348","Present"
-"N',2-Bis(4-chloro-2-methylphenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(4-chloro-2-methylphenyl)diazenecarbohydrazide","","CC1=C(C=CC(=C1)Cl)NNC(=O)N=NC2=C(C=C(C=C2)Cl)C","XMHURGKDKQULTC-UHFFFAOYSA-N","383225",NA,"PDBC39881","671340","Present"
-"N',2-Bis(5-(hydroxy(oxido)amino)-2-methylphenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(5-(hydroxy(oxido)amino)-2-methylphenyl)diazenecarbohydrazide","","CC1=C(C=C(C=C1)[N+](=O)[O-])NNC(=O)N=NC2=C(C=CC(=C2)[N+](=O)[O-])C","OOIUTEXINAJKQP-UHFFFAOYSA-N","3675034",NA,"PDBC39882","671345","Present"
-"N',2-Bis(5-chloro-2-methylphenyl)diazenecarbohydrazide","","","","","","","","","","","","","","","","","","","","N',2-Bis(5-chloro-2-methylphenyl)diazenecarbohydrazide","","CC1=C(C=C(C=C1)Cl)NNC(=O)N=NC2=C(C=CC(=C2)Cl)C","XSWUMDWWERZSFO-UHFFFAOYSA-N","383232",NA,"PDBC39883","671347","Present"
-"N',2-Diylidene)dipiperidine-1-carbothiohydrazide","","","","","","","","","","","","","","","","","","","","N',N''-(1 phenylethane-1,2-diylidene)dipiperidine-1-carb...","","C1CCN(CC1)C(=S)NN=CC(=NNC(=S)N2CCCCC2)C3=CC=CC=C3","XRGYHCAZIJPKDQ-MDEJZTFRSA-N","6413034",NA,"PDBC39884","693328","Present"
-"N',N'''-(Dodecane-1,12-diyl)bis(6-chloropyrimidine-2,4-diamine)","","","","","","","","","","","","","","","","","","","","4-N-[12-[(2-Amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-2,4-diamine","","C1=C(N=C(N=C1Cl)N)NCCCCCCCCCCCCNC2=CC(=NC(=N2)N)Cl","VKBKIQYIHZMYSV-UHFFFAOYSA-N","358988",NA,"PDBC39885","619195","Present"
-"N',N'-Bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N',N'-Bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride","","CN(C)CCCN(CCC1CCCCC1)CCC2CCCCC2.Cl","NWHHZAVZYCWFPY-UHFFFAOYSA-N","54609597",NA,"PDBC39886","81465","Present"
-"N',N'-Diethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)butane-1,4-diamine;chloride;hydrochloride","","","","","","","","","","","","","","","","","","","","N',N'-Diethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)butane-1,4-diamine;chloride;hydrochloride","","CCN(CC)CCCCNC1=C2C(=[N+](C3=CC=CC=C31)C)C4=CC=CC=C4N2.Cl.[Cl-]","VWMMYRCUWSIIBR-UHFFFAOYSA-N","54612841",NA,"PDBC39887","748393","Present"
-"N',N'-Diethyl-N-(6-methoxyquinolin-8-yl)hexane-1,6-diamine;phosphoric acid","","","","","","","","","","","","","","","","","","","","N',N'-Diethyl-N-(6-methoxyquinolin-8-yl)hexane-1,6-diamine;phosphoric acid","","CCN(CC)CCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O","SVNIIMKVNJHUDE-UHFFFAOYSA-N","54602014",NA,"PDBC39888","13459","Present"
-"N',N'-Diethyl-N-(8-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","6-(3-Diethylaminopropylaminopropylamino)-8-methoxy-11-H-...","","CCN(CC)CCCNC1=NC2=CC=CC=C2C3=C1C4=C(N3)C=CC(=C4)OC.Cl","QXFGKCSFZSVDTK-UHFFFAOYSA-N","379559",NA,"PDBC39889","664238","Present"
-"N',N'-Diethyl-N-[2-phenyl-1-(4-phenylmethoxyphenyl)ethyl]ethane-1,2-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N',N'-Diethyl-N-[2-phenyl-1-(4-phenylmethoxyphenyl)ethyl]ethane-1,2-diamine;hydrochloride","","CCN(CC)CCNC(CC1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl","RTTHMYKSMICGLT-UHFFFAOYSA-N","24190418",NA,"PDBC39890","108250","Present"
-"N',N'-Diethyl-N-[6-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]quinolin-4-yl]ethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","NSC799916///NSC801797///NSC803403","","CCN(CC)CCNC1=CC(=NC2=C1C=C(C=C2)N3CCCC3)C4=CC(=CC=C4)OC(F)(F)F","IHBXYOHDFDUHJE-UHFFFAOYSA-N","155815786",NA,"PDBC39891","799916///801797///803403","Present"
-"N',N'-Dihexyl-N-isoquinolin-1-ylpropane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N',N'-Dihexyl-N-isoquinolin-1-ylpropane-1,3-diamine;hydrochloride","","CCCCCCN(CCCCCC)CCCNC1=NC=CC2=CC=CC=C21.Cl","RUZMVCNHHLJKFW-UHFFFAOYSA-N","24180985",NA,"PDBC39892","3611","Present"
-"N',N'-Dimethyl-N-(5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N',N'-Dimethyl-N-(5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride","","CN(C)CCCNC1=C2C(=NC=C1)C=CC=C2[N+](=O)[O-].Cl","KSUFKZLGSNYVAE-UHFFFAOYSA-N","368343",NA,"PDBC39893","639205","Present"
-"N',N'-Dimethyl-N-(7,8,9,10-tetrahydrophenanthridin-6-yl)ethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N',N'-Dimethyl-N-(7,8,9,10-tetrahydrophenanthridin-6-yl)ethane-1,2-diamine","","CN(C)CCNC1=NC2=CC=CC=C2C3=C1CCCC3","KZMNXCMBNDXDHO-UHFFFAOYSA-N","402858",NA,"PDBC39894","717122","Present"
-"N',N'-Dimethyl-N-(8-methyl-5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N',N'-Dimethyl-N-(8-methyl-5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride","","CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCCN(C)C.Cl","WYWBJLUTFIFQIJ-UHFFFAOYSA-N","368344",NA,"PDBC39895","639206","Present"
-"N',N'-Dimethyl-N-(8-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N',N'-Dimethyl-N-(8-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride","","CN(C)CCCNC1=C2C=CC=C(C2=NC=C1)[N+](=O)[O-].Cl","NNSVDSVHKMXIHG-UHFFFAOYSA-N","375875",NA,"PDBC39896","656190","Present"
-"N',N'-Dimethyl-N-(naphthalen-1-ylmethyl)propane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N',N'-Dimethyl-N-(naphthalen-1-ylmethyl)propane-1,3-diamine;hydrochloride","","CN(C)CCCNCC1=CC=CC2=CC=CC=C21.Cl","HDYRTAIXDDNRRO-UHFFFAOYSA-N","377233",NA,"PDBC39897","658480","Present"
-"N'-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-1-piperidinecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperidine-1-carbothioamide","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)N3CCCCC3","GGVFHMCXWXXSJH-CPNJWEJPSA-N","9571639",NA,"PDBC39898","693336","Present"
-"N'-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-4-methoxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N'-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-4-methoxybenzohydrazide","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=CC=C(C=C3)OC","BJJUWMOEJIIKTP-FYJGNVAPSA-N","9571388",NA,"PDBC39899","651698","Present"
-"N'-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)benzohydrazide","","","","","","","","","","","","","","","","","","","","N'-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)benzohydrazide","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=CC=CC=C3","KWWDQDXKNRLKAV-DEDYPNTBSA-N","9571387",NA,"PDBC39900","651697","Present"
-"N'-((2,6-Dimethyl-5-((2-((4-methylphenyl)sulfonyl)hydrazino)carbonyl)-1,4-dihydro-3-pyridinyl)carbonyl)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","2,6-Dimethyl-N3',N5'-bis(p-tolylsulfonyl)-1,4-dihydropyridine-3,5-dicarbohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(NC(=C(C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)C)C)C","VQBYJESZGNHVMJ-UHFFFAOYSA-N","368957",NA,"PDBC39901","640362","Present"
-"N'-((4-(Allyloxy)-3-methoxyphenyl)((4-(hydroxy(oxido)amino)phenyl)diazenyl)methylene)benzohydrazide","","","","","","","","","","","","","","","","","","","","N'-((4-(Allyloxy)-3-methoxyphenyl)((4-(hydroxy(oxido)amino)phenyl)diazenyl)methylene)benzohydrazide","","COC1=C(C=CC(=C1)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])OCC=C","BWLAXMIYNBVPFD-JZAMBYSNSA-N","135493902",NA,"PDBC39902","679494","Present"
-"N'-((4-(Allyloxy)-3-methoxyphenyl)((4-chlorophenyl)diazenyl)methylene)benzohydrazide","","","","","","","","","","","","","","","","","","","","N'-((4-(Allyloxy)-3-methoxyphenyl)((4-chlorophenyl)diazenyl)methylene)benzohydrazide","","COC1=C(C=CC(=C1)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)Cl)OCC=C","LLAPUIBFGPAVFX-CMHWQGJSSA-N","135493903",NA,"PDBC39903","679495","Present"
-"N'-((4-(Allyloxy)-3-methoxyphenyl)((4-methylphenyl)diazenyl)methylene)benzohydrazide","","","","","","","","","","","","","","","","","","","","N'-((4-(Allyloxy)-3-methoxyphenyl)((4-methylphenyl)diazenyl)methylene)benzohydrazide","","CC1=CC=C(C=C1)N=NC(=NNC(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OCC=C)OC","IVVRXLWINIYWNP-AFWWLGEOSA-N","135493901",NA,"PDBC39904","679493","Present"
-"N'-((4-(Allyloxy)-3-methoxyphenyl)(phenyldiazenyl)methylene)benzohydrazide","","","","","","","","","","","","","","","","","","","","N'-((4-(Allyloxy)-3-methoxyphenyl)(phenyldiazenyl)methylene)benzohydrazide","","COC1=C(C=CC(=C1)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=CC=C3)OCC=C","XMVGBDYHBUVKNO-JZAMBYSNSA-N","135493900",NA,"PDBC39905","679492","Present"
-"N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)((3-methoxyphenyl)diazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-5-bromo-2-hydroxybenzamide","","COC1=CC=CC(=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Br)O)C3=C(C=C(C=C3)N(CCC#N)CCC#N)OC","GGCOMEPMRIUEQP-BJPWPYEYSA-N","135493973",NA,"PDBC39906","685921","Present"
-"N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)((4-(hydroxy(oxido)amino)phenyl)diazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-nitrophenyl)diazenyl]methylidene]amino]-5-bromo-2-hydroxybenzamide","","COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Br)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]","WVRDBMSLFMKSCT-DDDMTKIUSA-N","135493975",NA,"PDBC39907","685923","Present"
-"N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)((4-chlorophenyl)diazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-chlorophenyl)diazenyl]methylidene]amino]-5-bromo-2-hydroxybenzamide","","COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Br)O)N=NC3=CC=C(C=C3)Cl","RVSWLNFGCUWUED-FMNFIABWSA-N","135493972",NA,"PDBC39908","685920","Present"
-"N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)((4-methoxyphenyl)diazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-5-bromo-2-hydroxybenzamide","","COC1=CC=C(C=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Br)O)C3=C(C=C(C=C3)N(CCC#N)CCC#N)OC","ABCAFUPWMLRGJX-BJPWPYEYSA-N","135493974",NA,"PDBC39909","685922","Present"
-"N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)((4-methylphenyl)diazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-5-bromo-2-hydroxybenzamide","","CC1=CC=C(C=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Br)O)C3=C(C=C(C=C3)N(CCC#N)CCC#N)OC","WBDRSZNAFFEVLA-BJPWPYEYSA-N","135493971",NA,"PDBC39910","685919","Present"
-"N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)(phenyldiazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-phenyldiazenylmethylidene]amino]-5-bromo-2-hydroxybenzamide","","COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Br)O)N=NC3=CC=CC=C3","RVGGVEVUGOGKTO-DDDMTKIUSA-N","135493970",NA,"PDBC39911","685918","Present"
-"N'-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)((3-(hydroxy(oxido)amino)phenyl)diazenyl)methylene)-5-chloro-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-5-chloro-2-hydroxybenzamide","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC(=CC=C3)[N+](=O)[O-]","VQOSKOLJUKRWLW-DDDMTKIUSA-N","135446391",NA,"PDBC39912","685927","Present"
-"N'-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)((3-chlorophenyl)diazenyl)methylene)-5-chloro-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-chlorophenyl)diazenyl]methylidene]amino]-5-chloro-2-hydroxybenzamide","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC(=CC=C3)Cl","SUNYWTVNZMNDGK-FMNFIABWSA-N","135446392",NA,"PDBC39913","685926","Present"
-"N'-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)((3-methylphenyl)diazenyl)methylene)-5-chloro-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-5-chloro-2-hydroxybenzamide","","CC1=CC(=CC=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Cl)O)C3=C(C=C(C=C3)N(CCC#N)CCC#N)C","HBTHNMAFDAJNEY-BJPWPYEYSA-N","135493977",NA,"PDBC39914","685925","Present"
-"N'-((4-Amino-1,3-dimethyl-2,6-dioxohexahydro-5-pyrimidinyl)methylene)nicotinohydrazide","","","","","","","","","","","","","","","","","","","","N'-((4-Amino-1,3-dimethyl-2,6-dioxohexahydro-5-pyrimidinyl)methylene)nicotinohydrazide","","CN1C(C(C(=O)N(C1=O)C)C=NNC(=O)C2=CN=CC=C2)N","RVSMIXRCPDBFHN-FRKPEAEDSA-N","9571569",NA,"PDBC39915","683606","Present"
-"N'-((6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)methylene)-2-cyanoacetohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)methyleneamino]-2-cyano-acetamide","","CN1C(=C(C(=O)N(C1=O)C)C=NNC(=O)CC#N)N","YUXPWKXTPVTFQT-WLRTZDKTSA-N","9571568",NA,"PDBC39916","683590","Present"
-"N'-((6-Methyl-2-pyridinyl)methylene)-1-azepanecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-((6-Methyl-2-pyridinyl)methylene)-1-azepanecarbothiohydrazide","","CC1=NC(=CC=C1)C=NNC(=S)N2CCCCCC2","WCELUABOGMNLGI-RVDMUPIBSA-N","9554750",NA,"PDBC39917","667876","Present"
-"N'-((6-Methyl-2-pyridinyl)methylene)-1-pyrrolidinecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-((6-Methyl-2-pyridinyl)methylene)-1-pyrrolidinecarbothiohydrazide","","CC1=NC(=CC=C1)C=NNC(=S)N2CCCC2","NTPQBGPSNWNHFH-UKTHLTGXSA-N","9571830",NA,"PDBC39918","661734","Present"
-"N'-((Dimethylamino)(methylamino)methylene)-N,N-dimethylthiourea","","","","","","","","","","","","","","","","","","","","N'-((Dimethylamino)(methylamino)methylene)-N,N-dimethylthiourea","","CN=C(NC(=S)N(C)C)N(C)C","ZSQULZOLSCMMGT-UHFFFAOYSA-N","3004017",NA,"PDBC39919","622653","Present"
-"N'-(1,2,4-Benzothiadiazin-3-yl)pyrazine-2-carbohydarazide","","","","","","","","","","","","","","","","","","","","N'-(1,1-dioxido-4-phenyl-4H-1,2,4-benzothiadiazin-3-yl)p...","","C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)(=O)N=C2NNC(=O)C4=NC=CN=C4","GEHWMIULYSRRCG-UHFFFAOYSA-N","15955471",NA,"PDBC39920","740556","Present"
-"N'-(1,3-Benzodioxol-5-ylmethyl)-N-(7-chloroquinolin-4-yl)-N'-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N3-(7-chloroquinolin...","","CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC5=C(C=C4)OCO5)N6CCOCC6","VWWQZVLANOZKAO-UHFFFAOYSA-N","137643822",NA,"PDBC39921","784076","Present"
-"N'-(1,3-Benzodioxol-5-ylmethyl)-N-(7-chloroquinolin-4-yl)-N'-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N2-(7-chloroquinolin...","","CCN1CCN(CC1)C2=NC(=NC(=C2)C)N(CCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","HQYCMPZLLSZLCH-UHFFFAOYSA-N","137654981",NA,"PDBC39922","784077","Present"
-"N'-(1,3-Dihydro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylimidoformamide","","","","","","","","","","","","","","","","","","","","N'-(1,3-Dihydro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylimidoformamide","","CN(C)C=NC1=CC=CC2=C1NSN2","SCKIUWVRNMEILC-UHFFFAOYSA-N","379826",NA,"PDBC39923","664956","Present"
-"N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide","","CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCN(CC2)C3=CC=CC=N3","IUXZGDMEPCDYEL-UHFFFAOYSA-N","3003953",NA,"PDBC39924","352741","Present"
-"N'-(1-(2-(2-(Hydroxy(oxido)amino)-4-methylanilino)-4-methyl-1,3-thiazol-5-yl)-3-(3-hydroxyphenyl)-2-propenylidene)propanohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(E)-3-(3-Hydroxyphenyl)-1-[4-methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]propanamide","","CCC(=O)NN=C(C=CC1=CC(=CC=C1)O)C2=C(N=C(S2)NC3=C(C=C(C=C3)C)[N+](=O)[O-])C","AYQGDCRHPBIPGC-KCLFYHGJSA-N","135499149",NA,"PDBC39925","640337","Present"
-"N'-(1-(2-Chlorophenyl)ethylidene)isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","NSC63135","","CC(=NNC(=O)C1=CC=NC=C1)C2=CC=CC=C2Cl","QZWHCEOEMMVVBN-LICLKQGHSA-N","5459156",NA,"PDBC39926","63135","Present"
-"N'-(1-(2-Hydroxyethyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)-N,N-dimethylimidoformamide","","","","","","","","","","","","","","","","","","","","N'-(1-(2-Hydroxyethyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)-N,N-dimethylimidoformamide","","CN(C)C=NC1=NC(=O)N(C=C1)CCO","HXQFQHVGUZEAFJ-UHFFFAOYSA-N","367723",NA,"PDBC39927","637657","Present"
-"N'-(1-(2-Pyridinyl)ethylidene)-3-azabicyclo[3.2.2]nonane-3-carboselenohydrazide","","","","","","","","","","","","","","","","","","","","3-Azabicyclo[3.2.2]nonane-3-carboselenoic acid, [1-(2-py...","","CC(=NN=C(N1CC2CCC(C1)CC2)[Se])C3=CC=CC=N3","QZCGQJFNGZOSQK-UHIRCJBMSA-N","9571210",NA,"PDBC39928","323241","Present"
-"N'-(1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2,4-dichlorophenyl)-2-hydroxyethylidene)isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[1-(6-Chloro-3-oxo-4H-quinoxalin-2-yl)-2-(2,4-dichlorophenyl)-2-hydroxyethylidene]amino]pyridine-4-carboxamide","","C1=CC(=C(C=C1Cl)Cl)C(C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)Cl)NC3=O)O","YBDXCIONGCJFGM-MIXAMLLLSA-N","135483908",NA,"PDBC39929","642650","Present"
-"N'-(1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2-chlorophenyl)-2-hydroxyethylidene)isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[1-(6-Chloro-3-oxo-4H-quinoxalin-2-yl)-2-(2-chlorophenyl)-2-hydroxyethylidene]amino]pyridine-4-carboxamide","","C1=CC=C(C(=C1)C(C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)Cl)NC3=O)O)Cl","PKKCFTNWUYFDDB-MTDXEUNCSA-N","135483905",NA,"PDBC39930","647082","Present"
-"N'-(1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(3-(hydroxy(oxido)amino)phenyl)ethylidene)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[1-(6-Chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethylidene]amino]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(C4=CC(=CC=C4)[N+](=O)[O-])O","WZQBTWRGQULAGD-NHFJDJAPSA-N","135499253",NA,"PDBC39931","647084","Present"
-"N'-(1-(6-Chloro-3-hydroxy-3,4-dihydro-2-quinoxalinyl)-2-hydroxy-4-phenyl-3-butenylidene)isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(E)-1-(6-Chloro-3-hydroxy-3,4-dihydroquinoxalin-2-yl)-2-hydroxy-4-phenylbut-3-enylidene]amino]pyridine-4-carboxamide","","C1=CC=C(C=C1)C=CC(C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)Cl)NC3O)O","LEKNKTRSTKTQQF-GWSHLURKSA-N","135483904",NA,"PDBC39932","641611","Present"
-"N'-(1-Benzyl-3-(dimethylamino)-2-phenylpropylidene)isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","N'-(1-Benzyl-3-(dimethylamino)-2-phenylpropylidene)isonicotinohydrazide","","CN(C)CC(C1=CC=CC=C1)C(=NNC(=O)C2=CC=NC=C2)CC3=CC=CC=C3","NBDFSGIKEMKEQE-RWEWTDSWSA-N","6081287",NA,"PDBC39933","647254","Present"
-"N'-(1-Benzyl-4-piperidinylidene)-2-hydroxy-2,2-diphenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(1-Benzyl-4-piperidinylidene)-2-hydroxy-2,2-diphenylacetohydrazide","","C1CN(CCC1=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CC=C4","UVBZUWWUEOFPKM-UHFFFAOYSA-N","379872",NA,"PDBC39934","665009","Present"
-"N'-(1-Benzyl-4-piperidinylidene)-N-formyl-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(1-Benzyl-4-piperidinylidene)-N-formyl-4-methylbenzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)N(C=O)N=C2CCN(CC2)CC3=CC=CC=C3","CGRLFLSCVXIEMT-UHFFFAOYSA-N","372274",NA,"PDBC39935","647332","Present"
-"N'-(1-Isoquinolin-1-ylethyl)-4-pyridin-2-ylpiperazine-1-carbothiohydrazide","","","","","","","","","","","","","","","","","","","","1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, 2-[1-(1-...","","CC(C1=NC=CC2=CC=CC=C21)NNC(=S)N3CCN(CC3)C4=CC=CC=N4","KLYOLLLMOLFUSQ-UHFFFAOYSA-N","3000691",NA,"PDBC39936","353896","Present"
-"N'-(1-Methyl-2-((1-piperidinylcarbothioyl)hydrazono)propylidene)-1-piperidinecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-(1-Methyl-2-((1-piperidinylcarbothioyl)hydrazono)propylidene)-1-piperidinecarbothiohydrazide","","CC(=NNC(=S)N1CCCCC1)C(=NNC(=S)N2CCCCC2)C","XMBHYEMPDFQTHN-JTFWXBGUSA-N","6412871",NA,"PDBC39937","693320","Present"
-"N'-(1-Naphthyl)-N,N-diphenylcarbamimidic chloride","","","","","","","","","","","","","","","","","","","","N'-(1-Naphthyl)-N,N-diphenylcarbamimidic chloride","","C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=NC3=CC=CC4=CC=CC=C43)Cl","XWFIEOIMMLRDEE-UHFFFAOYSA-N","240684",NA,"PDBC39938","47118","Present"
-"N'-(1-Nitroacridin-9-yl)propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","Acridine-9-amine, N-(3-aminopropyl)-1-nitro-","","C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCN","CAFAFONOMYEYHO-UHFFFAOYSA-N","378853",NA,"PDBC39939","662193","Present"
-"N'-(1-Phenylethyl)pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","2'-(1-Phenylethyl)isonicotinohydrazide","","CC(C1=CC=CC=C1)NNC(=O)C2=CC=NC=C2","BNFYDDNWBRYWHT-UHFFFAOYSA-N","383893",NA,"PDBC39940","672804","Present"
-"N'-(1-Phenylethylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","AG-205/06490006","","CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2","WXWKWIKTRTXOIW-NTCAYCPXSA-N","9569840",NA,"PDBC39941","622084","Present"
-"N'-(1-Pyridazin-3-ylethyl)azepane-1-carbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-(1-Pyridazin-3-ylethyl)azepane-1-carbothiohydrazide","","CC(C1=NN=CC=C1)NNC(=S)N2CCCCCC2","BRVZCYLUAGQTFE-UHFFFAOYSA-N","5468192",NA,"PDBC39942","665918","Present"
-"N'-(1-Pyridazin-3-ylethyl)pyrrolidine-1-carbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-(1-Pyridazin-3-ylethyl)pyrrolidine-1-carbothiohydrazide","","CC(C1=NN=CC=C1)NNC(=S)N2CCCC2","DJDXBVMBBMELRK-UHFFFAOYSA-N","5468191",NA,"PDBC39943","665917","Present"
-"N'-(1-Quinolin-2-ylethyl)azepane-1-carbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-(1-Quinolin-2-ylethyl)azepane-1-carbothiohydrazide","","CC(C1=NC2=CC=CC=C2C=C1)NNC(=S)N3CCCCCC3","YINIEYCTRUUCMZ-UHFFFAOYSA-N","3436670",NA,"PDBC39944","345296","Present"
-"N'-(2,2,2-Trifluoro-1-phenyl-ethyl)pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2,2,2-Trifluoro-1-phenyl-ethyl)pyridine-4-carbohydrazide","","C1=CC=C(C=C1)C(C(F)(F)F)NNC(=O)C2=CC=NC=C2","LYWZPIZZDUIKQY-UHFFFAOYSA-N","386650",NA,"PDBC39945","679106","Present"
-"N'-(2,2,2-Trifluoroethyl)pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","2'-(2,2,2-Trifluoroethyl)isonicotinohydrazide","","C1=CN=CC=C1C(=O)NNCC(F)(F)F","CRYWAVKIIJLPGQ-UHFFFAOYSA-N","385618",NA,"PDBC39946","676923","Present"
-"N'-(2,2,2-Trifluoroethylidene)isonicotinic hydrazide","","","","","","","","","","","","","","","","","","","","NSC671544","","C1=CN=CC=C1C(=O)NN=CC(F)(F)F","RTZXLZYMFHIQAA-ACAGNQJTSA-N","6039964",NA,"PDBC39947","671544","Present"
-"N'-(2,3-Dichlorobenzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","STK437757","","C1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C(=CC=C2)Cl)Cl","JTJVMOCEZVLZOX-CXUHLZMHSA-N","5335279",NA,"PDBC39948","623219","Present"
-"N'-(2,3-Dihydroxybenzylidene)benzohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2,3-Dihydroxybenzylidene)benzohydrazide","","C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC=C2)O)O","JZHNRNFHZBZDJV-OQLLNIDSSA-N","135403169",NA,"PDBC39949","351813","Present"
-"N'-(2,3-Dimethyl-4H-furo[3,2-b]pyrrole-6-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2,4-dihydroxybenzylidene)-2,3-dimethyl-4H-furo[3,2-b...","","CC1=C(OC2=C1NC=C2C(=O)NN=CC3=C(C=C(C=C3)O)O)C","QTISQRJHYIWSRO-FXBPXSCXSA-N","135958493",NA,"PDBC39950","745543","Present"
-"N'-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(4-chloroanilino)-4-methyl-1,3-thiazole-5-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(4-chloroanilino)-4-methyl-1,3-thiazole-5-carbohydrazide","","CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","MCHBBUWPIGISIT-UHFFFAOYSA-N","3518503",NA,"PDBC39951","637602","Present"
-"N'-(2,4-Dichlorobenzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","3W-0627","","C1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=C(C=C2)Cl)Cl","GXHCURFFVDKZPK-CXUHLZMHSA-N","6898688",NA,"PDBC39952","623220","Present"
-"N'-(2,4-Dihydroxybenzylidene)nicotinohydrazide","","","","","","","","","","","","","","","","","","","","3-Pyridinecarboxylic acid, [(2,4-dihydroxyphenyl)methyle...","","C1=CC(=CN=C1)C(=O)NN=CC2=C(C=C(C=C2)O)O","YKUFPSNDHXRMFP-OVCLIPMQSA-N","135488764",NA,"PDBC39953","268690","Present"
-"N'-(2,4-Dimethylbenzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2,4-Dimethylbenzylidene)benzenesulfonohydrazide","","CC1=CC(=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2)C","SDUMLWVFOBPLIH-LFIBNONCSA-N","6908569",NA,"PDBC39954","623224","Present"
-"N'-(2,6-Dichlorobenzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","STL432374","","C1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC=C2Cl)Cl","GCAWUBBEOBJEDQ-CXUHLZMHSA-N","6898744",NA,"PDBC39955","623221","Present"
-"N'-(2,6-Dimethoxyphenyl)-N-{4-oxo-2-[(4-pyridylcarbonylamino)amino](3-hydroquinazolin-3-yl)}ethane-1,2-diamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethoxyphenyl)-N'-[4-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]quinazolin-3-yl]oxamide","","COC1=C(C(=CC=C1)OC)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3N=C2NNC(=O)C4=CC=NC=C4","BFXZERPKTYBWCO-UHFFFAOYSA-N","372942",NA,"PDBC39956","648654","Present"
-"N'-(2-((1-Azepanylcarbothioyl)hydrazono)-1-methylpropylidene)-1-azepanecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-((1-Azepanylcarbothioyl)hydrazono)-1-methylpropylidene)-1-azepanecarbothiohydrazide","","CC(=NNC(=S)N1CCCCCC1)C(=NNC(=S)N2CCCCCC2)C","IUBJLNZJBWCARU-IKBKFCNISA-N","6413111",NA,"PDBC39957","693321","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-2-naphthalenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-2-naphthalenesulfonohydrazide","","CC(=NNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)CN3C(=O)C4=CC=CC=C4C3=O","NMRIBZHTESWTLA-HYARGMPZSA-N","9555855",NA,"PDBC39958","643503","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-3,4-dimethoxybenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-1-(1,3-Dioxoisoindol-2-yl)propan-2-ylideneamino]-3,4-dimethoxybenzenesulfonamide","","CC(=NNS(=O)(=O)C1=CC(=C(C=C1)OC)OC)CN2C(=O)C3=CC=CC=C3C2=O","RSTPSKDABVLYGH-UDWIEESQSA-N","9555862",NA,"PDBC39959","643511","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-3-(hydroxy(oxido)amino)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-1-(1,3-Dioxoisoindol-2-yl)propan-2-ylideneamino]-3-nitrobenzenesulfonamide","","CC(=NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])CN2C(=O)C3=CC=CC=C3C2=O","IAJWUVNNMXKRCZ-WOJGMQOQSA-N","9555858",NA,"PDBC39960","643506","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-fluorobenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-fluorobenzenesulfonohydrazide","","CC(=NNS(=O)(=O)C1=CC=C(C=C1)F)CN2C(=O)C3=CC=CC=C3C2=O","LUDPADPUWHOGFV-YBFXNURJSA-N","9555866",NA,"PDBC39961","643515","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-methoxybenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-methoxybenzenesulfonohydrazide","","CC(=NNS(=O)(=O)C1=CC=C(C=C1)OC)CN2C(=O)C3=CC=CC=C3C2=O","SRKPMSJXODRVFA-XDHOZWIPSA-N","9555856",NA,"PDBC39962","643504","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-methylbenzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CN2C(=O)C3=CC=CC=C3C2=O","VQZWKGVPSRCUQY-CPNJWEJPSA-N","9555860",NA,"PDBC39963","643508","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide","","CC(=NNS(=O)(=O)C1=CC=CC=C1)CN2C(=O)C3=CC=CC=C3C2=O","HDCJCMAKVUELMJ-LDADJPATSA-N","9555854",NA,"PDBC39964","643502","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)methanesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)methanesulfonohydrazide","","CC(=NNS(=O)(=O)C)CN1C(=O)C2=CC=CC=C2C1=O","PSDCOLUSMAHAAF-MDWZMJQESA-N","9555857",NA,"PDBC39965","643505","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-2-naphthalenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-2-naphthalenesulfonohydrazide","","C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NN=CCN3C(=O)C4=CC=CC=C4C3=O","IKNAUGAOBHHOPK-SRZZPIQSSA-N","9555865",NA,"PDBC39966","643514","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-3,4-dimethoxybenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-3,4-dimethoxybenzenesulfonohydrazide","","COC1=C(C=C(C=C1)S(=O)(=O)NN=CCN2C(=O)C3=CC=CC=C3C2=O)OC","SZDNUIFVKGCTLM-DJKKODMXSA-N","9555824",NA,"PDBC39967","637079","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-3-(hydroxy(oxido)amino)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-2-(1,3-Dioxoisoindol-2-yl)ethylideneamino]-3-nitrobenzenesulfonamide","","C1=CC=C2C(=C1)C(=O)N(C2=O)CC=NNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]","VJXKWLDYCVSMFJ-CAOOACKPSA-N","9571275",NA,"PDBC39968","637083","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-fluorobenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-fluorobenzenesulfonohydrazide","","C1=CC=C2C(=C1)C(=O)N(C2=O)CC=NNS(=O)(=O)C3=CC=C(C=C3)F","OJPMFUFIACSIAA-GIJQJNRQSA-N","9571273",NA,"PDBC39969","637080","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-methoxybenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-methoxybenzenesulfonohydrazide","","COC1=CC=C(C=C1)S(=O)(=O)NN=CCN2C(=O)C3=CC=CC=C3C2=O","QOXYYGCTCHRIPY-VCHYOVAHSA-N","9571276",NA,"PDBC39970","637085","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-methylbenzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NN=CCN2C(=O)C3=CC=CC=C3C2=O","ZLSGCFQBYIRYRZ-VCHYOVAHSA-N","9571274",NA,"PDBC39971","637081","Present"
-"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)methanesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)methanesulfonohydrazide","","CS(=O)(=O)NN=CCN1C(=O)C2=CC=CC=C2C1=O","MNVCYFSEBHVELM-WUXMJOGZSA-N","9571330",NA,"PDBC39972","643510","Present"
-"N'-(2-(2-Chlorophenyl)-2-hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethylidene)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[2-(2-Chlorophenyl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CC=C4Cl)O","WOKVPWYZNYRAMP-NHFJDJAPSA-N","135499247",NA,"PDBC39973","646833","Present"
-"N'-(2-(3-Chlorophenyl)-4-hydroxy-5-imino-2,5-dihydro-3-furanyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-(3-Chlorophenyl)-4-hydroxy-5-imino-2,5-dihydro-3-furanyl)benzenesulfonohydrazide","","C1=CC=C(C=C1)S(=O)(=O)NN=C2C(OC(=C2O)N)C3=CC(=CC=C3)Cl","LZQIGXLVMGDFBQ-UYRXBGFRSA-N","5838810",NA,"PDBC39974","640355","Present"
-"N'-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-N'-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-N'-phenylacetohydrazide","","CC(=O)NN(C1CCN(N1C(=O)C)C2=CC=CC=C2)C3=CC=CC=C3","XPAYCMMHSJSWNZ-UHFFFAOYSA-N","377019",NA,"PDBC39975","658237","Present"
-"N'-(2-Bromo-3-phenyl-2-propenylidene)-2-((4-(2-(2-(2-bromo-3-phenyl-2-propenylidene)hydrazino)-2-oxoethoxy)-6-methyl-2-pyrimidinyl)thio)acetohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(Z)-2-Bromo-3-phenylprop-2-enylidene]amino]-2-[2-[2-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-yl]oxyacetamide","","CC1=CC(=NC(=N1)SCC(=O)NN=CC(=CC2=CC=CC=C2)Br)OCC(=O)NN=CC(=CC3=CC=CC=C3)Br","KZXIZYXSHGCLHG-JMHICSSYSA-N","9571644",NA,"PDBC39976","694238","Present"
-"N'-(2-Bromo-4-tert-butylcyclohexylidene)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-Bromo-4-tert-butylcyclohexylidene)-4-methylbenzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC(CC2Br)C(C)(C)C","DIKKPVZHJIIROU-MNDPQUGUSA-N","6289950",NA,"PDBC39977","673923","Present"
-"N'-(2-Butenylidene)-N-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)-3,5-bis(hydroxy(oxido)amino)benzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(E)-But-2-enylidene]amino]-N-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)-3,5-dinitrobenzamide","","CC=CC=NN(C1=NC(C(=NN1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","KTWWUYZVBLRENN-XSXLHIAQSA-N","9571281",NA,"PDBC39978","640641","Present"
-"N'-(2-Cyano-3-(dimethylamino)acryloyl)-N,N-dimethylhydrazonoformamide","","","","","","","","","","","","","","","","","","","","N'-(2-Cyano-3-(dimethylamino)acryloyl)-N,N-dimethylhydrazonoformamide","","CN(C)C=C(C#N)C(=O)NN=CN(C)C","DFYPNSKXRDMLHF-JMFBPXTISA-N","9571448",NA,"PDBC39979","664553","Present"
-"N'-(2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethylidene)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[2-Hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=C(C=C4)[N+](=O)[O-])O","CTUJTVKFFGNKOR-LHLOQNFPSA-N","135499170",NA,"PDBC39980","641813","Present"
-"N'-(2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-3,4-dihydro-2-quinoxalinyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethylidene)-2-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[2-Hydroxy-1-(3-hydroxy-6-nitro-3,4-dihydroquinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2O)C(C4=CC=C(C=C4)[N+](=O)[O-])O","OSMQTLIEDLTQMN-SGWCAAJKSA-N","135499260",NA,"PDBC39981","647270","Present"
-"N'-(2-Hydroxy-2-(4-(1-hydroxyethyl)phenyl)-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethylidene)isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-Hydroxy-2-[4-(1-hydroxyethyl)phenyl]-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]pyridine-4-carboxamide","","CC(C1=CC=C(C=C1)C(C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)O)O","NZNXPOJRMIXBIR-RRAHZORUSA-N","135483907",NA,"PDBC39982","641614","Present"
-"N'-(2-Hydroxy-2-phenylethyl)-N,N-dimethylimidoformamide","","","","","","","","","","","","","","","","","","","","N'-(2-Hydroxy-2-phenylethyl)-N,N-dimethylimidoformamide","","CN(C)C=NCC(C1=CC=CC=C1)O","QMJISUCYXPYHBZ-UHFFFAOYSA-N","380204",NA,"PDBC39983","665675","Present"
-"N'-(2-Hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)-3,4-dimethoxybenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-Hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)-3,4-dimethoxybenzenesulfonohydrazide","","COC1=C(C=C(C=C1)S(=O)(=O)NN=CC2=C(C(=CC(=C2)I)[N+](=O)[O-])O)OC","HTJQBAOTYJAWOG-CAOOACKPSA-N","135429937",NA,"PDBC39984","620307","Present"
-"N'-(2-Hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)-3-(hydroxy(oxido)amino)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide","","C1=CC(=CC(=C1)S(=O)(=O)NN=CC2=C(C(=CC(=C2)I)[N+](=O)[O-])O)[N+](=O)[O-]","OYVGPXQWKHJMEK-VIZOYTHASA-N","135429933",NA,"PDBC39985","620303","Present"
-"N'-(2-Hydroxy-3-phenoxypropyl)benzohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-Hydroxy-3-phenoxypropyl)benzohydrazide","","C1=CC=C(C=C1)C(=O)NNCC(COC2=CC=CC=C2)O","JCILIWWMVWFSMQ-UHFFFAOYSA-N","392121",NA,"PDBC39986","691993","Present"
-"N'-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-piperidinecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-piperidinecarbothiohydrazide","","C1CCN(CC1)C(=S)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])O","VSBGCTLSYZTBDP-NTEUORMPSA-N","135484941",NA,"PDBC39987","689530","Present"
-"N'-(2-Hydroxy-5-methoxybenzylidene)-1-piperidinecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-Hydroxy-5-methoxybenzylidene)-1-piperidinecarbothiohydrazide","","COC1=CC(=C(C=C1)O)C=NNC(=S)N2CCCCC2","ZZLKTDDOQDUTNM-XNTDXEJSSA-N","135484939",NA,"PDBC39988","689529","Present"
-"N'-(2-Hydroxybenzoyl)-2-furohydrazide","","","","","","","","","","","","","","","","","","","","STK112966","","C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CO2)O","CZOHGESVLJJDSL-UHFFFAOYSA-N","393335",NA,"PDBC39989","695043","Present"
-"N'-(2-Hydroxybenzoyl)thiophene-2-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-Salicyloyl-2-thiophenecarbohydrazide","","C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CS2)O","HERHFFPVTWTXIP-UHFFFAOYSA-N","393336",NA,"PDBC39990","695044","Present"
-"N'-(2-Hydroxybenzylidene)-2-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","STK134301","","C1=CC=C(C=C1)CC(=O)NN=CC2=CC=CC=C2O","PIKSTPCXRWWXCO-LFIBNONCSA-N","135400303",NA,"PDBC39991","715186","Present"
-"N'-(2-Hydroxyethyl)-N-(4-methoxyphenyl)-N-phenylurea","","","","","","","","","","","","","","","","","","","","N'-(2-Hydroxyethyl)-N-(4-methoxyphenyl)-N-phenylurea","","COC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NCCO","HEGWHRMIGULUCG-UHFFFAOYSA-N","379840",NA,"PDBC39992","664972","Present"
-"N'-(2-Methylbutyl)-4-[4-[4-[N'-(2-methylbutyl)carbamimidoyl]phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-di(2-methylbutyl) 4,4'-(1,4-piperazinediyl)bisbenze...","","CCC(C)CN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCC(C)CC)N)N.Cl","OJVLELGNLAVXEN-UHFFFAOYSA-N","24203704",NA,"PDBC39993","729172","Present"
-"N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-piperidinecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-piperidinecarbothiohydrazide","","C1CCN(CC1)C(=S)N=NC2=C(NC3=CC=CC=C32)O","XKLNKBOZHHMKRO-UHFFFAOYSA-N","381667",NA,"PDBC39994","668495","Present"
-"N'-(2-Pyridinylmethylene)-1-piperidinecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","N'-(2-Pyridinylmethylene)-1-piperidinecarbothiohydrazide","","C1CCN(CC1)C(=S)NN=CC2=CC=CC=N2","SLOCYEFBRCHUHA-GXDHUFHOSA-N","9554746",NA,"PDBC39995","667871","Present"
-"N'-(2-Thenylidene)pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","NSC690247","","C1=CSC(=C1)C=NNC(=O)C2=CC=NC=C2","VQHKTXKJAYPSHY-JYRVWZFOSA-N","5393999",NA,"PDBC39996","690247","Present"
-"N'-(3,3-Diethylcyclobutylidene)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(3,3-Diethylcyclobutylidene)-4-methylbenzenesulfonohydrazide","","CCC1(CC(=NNS(=O)(=O)C2=CC=C(C=C2)C)C1)CC","IXWLSXKPNFSNNM-UHFFFAOYSA-N","387518",NA,"PDBC39997","681329","Present"
-"N'-(3,4-Dichlorophenyl)-N-(2,3-dihydro-1H-benzimidazol-2-yl)methanediamine","","","","","","","","","","","","","","","","","","","","N'-(3,4-Dichlorophenyl)-N-(2,3-dihydro-1H-benzimidazol-2-yl)methanediamine","","C1=CC=C2C(=C1)NC(N2)NCNC3=CC(=C(C=C3)Cl)Cl","MHVZONNBPRTHPD-UHFFFAOYSA-N","343042",NA,"PDBC39998","381793","Present"
-"N'-(3,4-Dichlorophenyl)-N-(4-methoxyphenyl)-N-phenylurea","","","","","","","","","","","","","","","","","","","","N'-(3,4-Dichlorophenyl)-N-(4-methoxyphenyl)-N-phenylurea","","COC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl","IAQAUPPGROBWFU-UHFFFAOYSA-N","377571",NA,"PDBC39999","659136","Present"
-"N'-(3,4-Dimethoxybenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(3,4-Dimethoxybenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)acetohydrazide","","COC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)OC","QRIJMMZDMSUYIQ-JVWAILMASA-N","9555905",NA,"PDBC40000","650812","Present"
-"N'-(3,4-Dimethyl-1,2,4-thiadiazol-5(4H)-ylidene)-N,N-dimethylthiourea","","","","","","","","","","","","","","","","","","","","N'-(3,4-Dimethyl-1,2,4-thiadiazol-5(4H)-ylidene)-N,N-dimethylthiourea","","CC1=NSC(=NC(=S)N(C)C)N1C","VACUHIAVXYKCCU-FPLPWBNLSA-N","9569876",NA,"PDBC40001","622656","Present"
-"N'-(3-(2-(Phenylsulfonyl)carbohydrazonoyl)benzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(3-(2-(Phenylsulfonyl)carbohydrazonoyl)benzylidene)benzenesulfonohydrazide","","C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=CC=C2)C=NNS(=O)(=O)C3=CC=CC=C3","JKCGIPKBFKFLJD-YHARCJFQSA-N","9569901",NA,"PDBC40002","623230","Present"
-"N'-(3-(3,4-Dimethoxyphenyl)-1-(2-(4-(hydroxy(oxido)amino)anilino)-4-methyl-1,3-thiazol-5-yl)-2-propenylidene)benzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(E)-3-(3,4-Dimethoxyphenyl)-1-[4-methyl-2-(4-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]benzamide","","CC1=C(SC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=NNC(=O)C3=CC=CC=C3)C=CC4=CC(=C(C=C4)OC)OC","SIZCKXICDRTWFS-YSYZDXPVSA-N","135499148",NA,"PDBC40003","640336","Present"
-"N'-(3-(4-(Dimethylamino)phenyl)-1-(2-(4-(hydroxy(oxido)amino)anilino)-4-methyl-1,3-thiazol-5-yl)-2-propenylidene)benzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(E)-3-[4-(Dimethylamino)phenyl]-1-[4-methyl-2-(4-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]benzamide","","CC1=C(SC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=NNC(=O)C3=CC=CC=C3)C=CC4=CC=C(C=C4)N(C)C","PMLZTTJCGDDWEM-LJQKCBRLSA-N","135499150",NA,"PDBC40004","640338","Present"
-"N'-(3-(4-Bromophenyl)-1-((4-bromophenyl)(cyano)methyl)-3-cyano-2-oxopropylidene)-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[1,4-Bis(4-bromophenyl)-1,4-dicyano-3-oxobutan-2-ylidene]amino]-2-hydroxybenzamide","","C1=CC=C(C(=C1)C(=O)NN=C(C(C#N)C2=CC=C(C=C2)Br)C(=O)C(C#N)C3=CC=C(C=C3)Br)O","JRHDLKYYKPTMNO-JJKYIXSRSA-N","9570041",NA,"PDBC40005","635339","Present"
-"N'-(3-Aminopropoxy)butane-1,4-diamine;hydrobromide","","","","","","","","","","","","","","","","","","","","NSC693138","","C(CCNOCCCN)CN.Br","GNYZAYKKSOHQIA-UHFFFAOYSA-N","392593",NA,"PDBC40006","693138","Present"
-"N'-(3-Aminopropoxy)pentane-1,5-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC694523","","C(CCN)CCNOCCCN.Cl","LZEXALREDHDGFY-UHFFFAOYSA-N","393124",NA,"PDBC40007","694523","Present"
-"N'-(3-Aminopropoxy)propane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC693218","","C(CN)CNOCCCN.Cl","VVSRVJCXOSEHMW-UHFFFAOYSA-N","392638",NA,"PDBC40008","693218","Present"
-"N'-(3-Aminopropyl)-N'-[2-[bis[2-[bis(3-aminopropyl)amino]ethyl]amino]ethyl]propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N'-(3-Aminopropyl)-N'-[2-[bis[2-[bis(3-aminopropyl)amino]ethyl]amino]ethyl]propane-1,3-diamine","","C(CN)CN(CCCN)CCN(CCN(CCCN)CCCN)CCN(CCCN)CCCN","OTDKXAKMLKPMDA-UHFFFAOYSA-N","383108",NA,"PDBC40009","671152","Present"
-"N'-(3-Chloro-1,4-dihydroxynaphthalen-2-yl)imino-N-[3-(trifluoromethyl)phenyl]oxamide","","","","","","","","","","","","","","","","","","","","N'-(3-Chloro-1,4-dihydroxynaphthalen-2-yl)imino-N-[3-(trifluoromethyl)phenyl]oxamide","","C1=CC=C2C(=C1)C(=C(C(=C2O)Cl)N=NC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O","SYJYEKNMPBQLFO-UHFFFAOYSA-N","332352",NA,"PDBC40010","329059","Present"
-"N'-(3-Chloroanilino)pyridine-3-carboximidamide","","","","","","","","","","","","","","","","","","","","N'-(3-Chloroanilino)pyridine-3-carboximidamide","","C1=CC(=CC(=C1)Cl)NN=C(C2=CN=CC=C2)N","VXDGEEJMQLWOHB-UHFFFAOYSA-N","9572231",NA,"PDBC40011","709085","Present"
-"N'-(3-Fluoranthenyl)-N,N-dimethyl formamidine","","","","","","","","","","","","","","","","","","","","LS-69593","","CN(C)C=NC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43","VVWXBKUIRBSTBW-UHFFFAOYSA-N","58284",NA,"PDBC40012","665664","Present"
-"N'-(3-Hydroxy-7-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-N,N-dimethylethanimidamide","","","","","","","","","","","","","","","","","","","","N'-(3-Hydroxy-7-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-N,N-dimethylethanimidamide","","CC(=NC1=C2C(=CC(=O)N1)CCC2=O)N(C)C","MISBUZBRFGRTMZ-QPEQYQDCSA-N","6104897",NA,"PDBC40013","686472","Present"
-"N'-(3-Methylbutyl)-4-[4-[4-[N'-(3-methylbutyl)carbamimidoyl]phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-diisoamyl 4,4'-(1,4-piperazinediyl)bisbenzenecarbox...","","CC(C)CCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCC(C)C)N)N.Cl","FSIDJGTTXNRQGA-UHFFFAOYSA-N","24203702",NA,"PDBC40014","729170","Present"
-"N'-(3-Oxo-2H-1,2,4-triazin-5-yl)phenazine-1-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-(3-Oxo-2H-1,2,4-triazin-5-yl)phenazine-1-carbohydrazide","","C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)NNC4=NC(=O)NN=C4","WYMXHYOBALYAGK-UHFFFAOYSA-N","403974",NA,"PDBC40015","719922","Present"
-"N'-(4,6-Dioxo-1H-pyrimidin-2-yl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(4,6-Dioxo-1H-pyrimidin-2-yl)benzenesulfonohydrazide","","C1C(=O)NC(=NNS(=O)(=O)C2=CC=CC=C2)NC1=O","YGWSIPWLJPQTIY-UHFFFAOYSA-N","135450452",NA,"PDBC40016","687818","Present"
-"N'-(4-(Bis(2-cyanoethyl)amino)-2-methylbenzylidene)-5-chloro-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N'-(4-(Bis(2-cyanoethyl)amino)-2-methylbenzylidene)-5-chloro-2-hydroxybenzohydrazide","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=NNC(=O)C2=C(C=CC(=C2)Cl)O","FUDSOSBTJOGGCU-AFUMVMLFSA-N","9556243",NA,"PDBC40017","681958","Present"
-"N'-(4-(Bis(2-cyanoethyl)amino)-2-methylbenzylidene)benzohydrazide","","","","","","","","","","","","","","","","","","","","Benzoic acid, [[2-methyl-4-[bis(2-cyanoethyl)amino]pheny...","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=NNC(=O)C2=CC=CC=C2","ZSEGDHLISCXXDD-LFVJCYFKSA-N","9571551",NA,"PDBC40018","681968","Present"
-"N'-(4-Chloroanilino)pyrazine-2-carboximidamide","","","","","","","","","","","","","","","","","","","","N'-(4-Chloroanilino)pyrazine-2-carboximidamide","","C1=CC(=CC=C1NN=C(C2=NC=CN=C2)N)Cl","RDCPRUPOXJDSNW-UHFFFAOYSA-N","9572225",NA,"PDBC40019","709079","Present"
-"N'-(4-Chlorobenzoyl)-1,2-benzothiazole-3-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-(4-Chlorobenzoyl)-1,2-benzothiazole-3-carbohydrazide","","C1=CC=C2C(=C1)C(=NS2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl","QLUNKAAZTFUVIC-UHFFFAOYSA-N","374721",NA,"PDBC40020","652913","Present"
-"N'-(4-Chlorobenzoyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-N'-(4-methylphenyl)propanediamide","","","","","","","","","","","","","","","","","","","","N'-(4-Chlorobenzoyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-N'-(4-methylphenyl)propanediamide","","CC1=CC=C(C=C1)N(C(=O)CC(=O)NN=C(C)C2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)Cl","JDDFDBIYKXWTGB-WPWMEQJKSA-N","135499196",NA,"PDBC40021","644474","Present"
-"N'-(4-Chlorobenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide","","","","","","","","","","","","","","","","","","","","N'-(4-Chlorobenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide","","CC(C)C(C(=O)NN=CC1=CC=C(C=C1)Cl)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","FJTSPNNKJFEJEL-STBIYBPSSA-N","9555907",NA,"PDBC40022","650815","Present"
-"N'-(4-Chlorobenzylidene)-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(4-Chlorobenzylidene)-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide","","C1=CC(=CC=C1C=C2C(=O)NC(=O)N2)S(=O)(=O)NN=CC3=CC=C(C=C3)Cl","BYTNCHBYAHBYQA-SUQUQSPJSA-N","9571576",NA,"PDBC40023","683751","Present"
-"N'-(4-Cyclohexyl-5-(methylimino)-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea","","","","","","","","","","","","","","","","","","","","N'-(4-Cyclohexyl-5-(methylimino)-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea","","CN=C1N(C(=NC(=S)N(C)C)SS1)C2CCCCC2","ZNSGYXMNCUWTSE-GZEYDJJDSA-N","9569871",NA,"PDBC40024","622610","Present"
-"N'-(4-Cyclohexyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea","","","","","","","","","","","","","","","","","","","","N'-(4-Cyclohexyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=S)SS1)C2CCCCC2","ABWAJSDROQUJFX-BENRWUELSA-N","5907910",NA,"PDBC40025","622687","Present"
-"N'-(4-Fluorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(4-Fluorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide","","C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NNC3=CC=C(C=C3)F","HWUGMQFMAKVBQO-UHFFFAOYSA-N","232328",NA,"PDBC40026","29638","Present"
-"N'-(4-Isopropyl-1,2,4-benzothiadiazin-3-yl)p yrazine-2-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-(4-Isopropyl-1,1-dioxdido-4H-1,2,4-benzothiadiazin-3-...","","CC(C)N1C2=CC=CC=C2S(=O)(=O)N=C1NNC(=O)C3=NC=CN=C3","KVPLUEWPTHKLFB-UHFFFAOYSA-N","15955468",NA,"PDBC40027","737736","Present"
-"N'-(4-Methoxy-2-methylphenyl)-N,N-dimethylformamidine","","","","","","","","","","","","","","","","","","","","LS-69604","","CC1=C(C=CC(=C1)OC)N=CN(C)C","XRZYPUGVMKQLQP-UHFFFAOYSA-N","25767",NA,"PDBC40028","665671","Present"
-"N'-(4-Methoxybenzoyl)-1,2-benzothiazole-3-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-(4-Methoxybenzoyl)-1,2-benzothiazole-3-carbohydrazide","","COC1=CC=C(C=C1)C(=O)NNC(=O)C2=NSC3=CC=CC=C32","XDCMEVCWKVEGSZ-UHFFFAOYSA-N","374722",NA,"PDBC40029","652914","Present"
-"N'-(4-Methoxybenzylidene)-4-((1-methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Methoxyphenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide","","CN1C(=O)C(=CC2=CC=C(C=C2)S(=O)(=O)NN=CC3=CC=C(C=C3)OC)NC1=O","SVOIJGOIZUSFFW-XAJBPTSZSA-N","9571574",NA,"PDBC40030","683749","Present"
-"N'-(4-Methoxybenzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","1W-0617","","COC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2","HJUAEWHFTPLOTQ-RVDMUPIBSA-N","6908543",NA,"PDBC40031","623226","Present"
-"N'-(4-Methyl-5-(5-phenyl-2,4-pentadienoyl)-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(4-Methyl-5-(5-phenyl-2,4-pentadienoyl)-1,3-thiazol-2-yl)acetohydrazide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC=CC2=CC=CC=C2","TTZULNFOELAVHR-JMQWPVDRSA-N","5867533",NA,"PDBC40032","648586","Present"
-"N'-(4-Methylbenzylidene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","3W-0615","","CC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2","QLNFPAAQLQIDCN-RVDMUPIBSA-N","9559830",NA,"PDBC40033","623223","Present"
-"N'-(4-Sulfamoylanilino)pyrazine-2-carboximidamide","","","","","","","","","","","","","","","","","","","","N'-(4-Sulfamoylanilino)pyrazine-2-carboximidamide","","C1=CC(=CC=C1NN=C(C2=NC=CN=C2)N)S(=O)(=O)N","SRZAKUVKFAQRCH-UHFFFAOYSA-N","9572224",NA,"PDBC40034","709078","Present"
-"N'-(4-Tert-Butyl-2,6-dimethylcyclohexylidene)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(4-Tert-Butyl-2,6-dimethylcyclohexylidene)-4-methylbenzenesulfonohydrazide","","CC1CC(CC(C1=NNS(=O)(=O)C2=CC=C(C=C2)C)C)C(C)(C)C","FGSJBNDKHPRTBI-UHFFFAOYSA-N","384306",NA,"PDBC40035","673922","Present"
-"N'-(5,6-Dichloro-3-oxobicyclo[2.2.1]hept-2-ylidene)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(5,6-Dichloro-3-oxobicyclo[2.2.1]hept-2-ylidene)-4-methylbenzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3CC(C2=O)C(C3Cl)Cl","GKIQJJBVTYVJOI-LGMDPLHJSA-N","5818585",NA,"PDBC40036","647549","Present"
-"N'-(5-(3-(1,3-Benzodioxol-5-yl)-N-phenyl-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-[5-[(E)-N-Anilino-C-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]carbonimidoyl]-4-methyl-1,3-thiazol-2-yl]acetohydrazide","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC2=CC=CC=C2)C=CC3=CC4=C(C=C3)OCO4","YJIYIZVSNDWVOT-IOCMRUIQSA-N","135499275",NA,"PDBC40037","647606","Present"
-"N'-(5-(3-(2-Methylphenyl)acryloyl)-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(5-(3-(2-Methylphenyl)acryloyl)-1,3-thiazol-2-yl)acetohydrazide","","CC1=CC=CC=C1C=CC(=O)C2=CN=C(S2)NNC(=O)C","ARUJCKNBXWPHTG-BQYQJAHWSA-N","5898853",NA,"PDBC40038","640563","Present"
-"N'-(5-(3-(3-(Hydroxy(oxido)amino)phenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(5-(3-(3-(Hydroxy(oxido)amino)phenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]","ONQVBEOFGINRMN-VOTSOKGWSA-N","5801570",NA,"PDBC40039","640590","Present"
-"N'-(5-(3-(4-(3-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-[5-[(E)-3-[4-[(E)-3-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetohydrazide","","CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C3=C(N=C(S3)NNC(=O)C)C","DMQOJXCSTNAIFR-WGDLNXRISA-N","5939022",NA,"PDBC40040","640587","Present"
-"N'-(5-(3-(4-(Hydroxy(oxido)amino)phenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-Methyl-5-[(E)-3-(4-nitrophenyl)prop-2-enehydrazonoyl]-1,3-thiazol-2-yl]acetohydrazide","","CC1=C(SC(=N1)NNC(=O)C)C(=NN)C=CC2=CC=C(C=C2)[N+](=O)[O-]","IQHTWDZGXYNLKW-XKKIXLAPSA-N","5799348",NA,"PDBC40041","647604","Present"
-"N'-(5-(3-(4-Chlorophenyl)-N-(hydrazinocarbothioyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","1-[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-chlorophenyl)prop-2-enylidene]amino]-3-aminothiourea","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=S)NN)C=CC2=CC=C(C=C2)Cl","ICMMDLUKXDNWCM-OWTPYQNBSA-N","135499204",NA,"PDBC40042","644734","Present"
-"N'-(5-(3-(4-Ethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(5-(3-(4-Ethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","CCOC1=CC=C(C=C1)C=CC(=O)C2=C(N=C(S2)NNC(=O)C)C","KOBBJKFGDSBSLD-JXMROGBWSA-N","5854078",NA,"PDBC40043","640561","Present"
-"N'-(5-(3-(4-Hydroxy-3-methoxyphenyl)-N-((4-methylphenyl)sulfonyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]amino]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C=CC2=CC(=C(C=C2)O)OC)C3=C(N=C(S3)NNC(=O)C)C","BKNQIIJRZQTGHW-JDGYFEBKSA-N","135499278",NA,"PDBC40044","647609","Present"
-"N'-(5-(N-(Aminocarbonyl)-3-(4-(hydroxy(oxido)amino)phenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]urea","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=O)N)C=CC2=CC=C(C=C2)[N+](=O)[O-]","DTWUVNOOVCLIDR-IYYWNBDZSA-N","135499293",NA,"PDBC40045","648588","Present"
-"N'-(5-(N-(Aminocarbothioyl)-3-(4-(hydroxy(oxido)amino)phenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=S)N)C=CC2=CC=C(C=C2)[N+](=O)[O-]","BNIAWKZCZUSMNP-IYYWNBDZSA-N","135499281",NA,"PDBC40046","647612","Present"
-"N'-(5-(N-(Hydrazinocarbothioyl)-3-(3-(hydroxy(oxido)amino)phenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","1-[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-nitrophenyl)prop-2-enylidene]amino]-3-aminothiourea","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=S)NN)C=CC2=CC(=CC=C2)[N+](=O)[O-]","FDKQKUSMOURFJK-XKVYGDKHSA-N","135499277",NA,"PDBC40047","647608","Present"
-"N'-(5-(N-(Hydrazinocarbothioyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide","","","","","","","","","","","","","","","","","","","","1-[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]amino]-3-aminothiourea","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=S)NN)C=CC2=CC(=C(C=C2)O)OC","ZLJRATCWBGVDDM-MDWZQWPHSA-N","135499291",NA,"PDBC40048","648584","Present"
-"N'-(5-Anilino-1,3,4-thiadiazol-2-yl)-N,N-dimethylthiourea","","","","","","","","","","","","","","","","","","","","N'-(5-Anilino-1,3,4-thiadiazol-2-yl)-N,N-dimethylthiourea","","CN(C)C(=S)NC1=NN=C(S1)NC2=CC=CC=C2","ISAWBWHCBNERMS-UHFFFAOYSA-N","3004021",NA,"PDBC40049","622686","Present"
-"N'-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-((4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)thio)acetohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-(5-Bromo-2-oxo-indolin-3-ylidene)amino]-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N=NC4=C(NC5=C4C=C(C=C5)Br)O","ZPNCMLDTMCFQNZ-UHFFFAOYSA-N","394287",NA,"PDBC40050","697654","Present"
-"N'-(5-Bromosalicylidene)isonicotinic hydrazide","","","","","","","","","","","","","","","","","","","","NSC33759","","C1=CC(=C(C=C1Br)C=NNC(=O)C2=CC=NC=C2)O","UFNBDHGHPMABQB-PXNMLYILSA-N","135538346",NA,"PDBC40051","33759","Present"
-"N'-(5-Formyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfonyl-N,N-dimethylmethanimidamide","","","","","","","","","","","","","","","","","","","","N'-(5-Formyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfonyl-N,N-dimethylmethanimidamide","","CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=CC=C3)C=O","FIIFFYLAGZRXJM-OQLLNIDSSA-N","9601322",NA,"PDBC40052","699666","Present"
-"N'-(6-Chloro-2-methoxyacridin-9-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N'-(6-Chloro-2-methoxyacridin-9-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCC4=CC(=C(C(=C4)OC)OC)OC","DOXKWTFYXUYXBD-UHFFFAOYSA-N","383387",NA,"PDBC40053","671558","Present"
-"N'-(6-Chloro-7-methyl-1,1-dioxido-1,4,2-benzodithiazin-3-yl)-2-furohydrazide","","","","","","","","","","","","","","","","","","","","N'-(6-Chloro-7-methyl-1,1-dioxido-1,4,2-benzodithiazin-3...","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC(=O)C3=CC=CO3","CNINHRAQRJLVOU-UHFFFAOYSA-N","378499",NA,"PDBC40054","661099","Present"
-"N'-(6-Chloro-7-methyl-1,1-dioxido-1,4,2-benzodithiazin-3-yl)benzohydrazide","","","","","","","","","","","","","","","","","","","","N'-(6-Chloro-7-methyl-1,1-dioxido-1,4,2-benzodithiazin-3-yl)benzohydrazide","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC(=O)C3=CC=CC=C3","WFWOCBJXJZWHOJ-UHFFFAOYSA-N","378501",NA,"PDBC40055","661101","Present"
-"N'-(6-Chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-(6-Chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)pyridine-4-carbohydrazide","","CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC(=O)C3=CC=NC=C3","CPJRIBKNVNGRPN-UHFFFAOYSA-N","378500",NA,"PDBC40056","661100","Present"
-"N'-(6-Methoxy-3,4-dihydro-1(2H)-naphthalenylidene)-2,4,6-trimethylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(6-Methoxy-3,4-dihydro-1(2H)-naphthalenylidene)-2,4,6-trimethylbenzenesulfonohydrazide","","CC1=CC(=C(C(=C1)C)S(=O)(=O)NN=C2CCCC3=C2C=CC(=C3)OC)C","GMHPMUJKNIBQPM-XUTLUUPISA-N","6104701",NA,"PDBC40057","686967","Present"
-"N'-(7-Chloro-4-methyl-1,2,4-benzothiadiazine-3-yl)nicotino hydrazide","","","","","","","","","","","","","","","","","","","","N'-(7-chloro-4-methyl-1,1-dioxido-4H-1,2,4-benzothiadiaz...","","CN1C2=C(C=C(C=C2)Cl)S(=O)(=O)N=C1NNC(=O)C3=CN=CC=C3","XCCBVJOUAQPCAI-UHFFFAOYSA-N","24206029",NA,"PDBC40058","737738","Present"
-"N'-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-[8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide","","CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=C(C(=CC=C5)OC)OC","NXTHYSFIBXFNOD-UHFFFAOYSA-N","381361",NA,"PDBC40059","667901","Present"
-"N'-(8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-[8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide","","CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=C(C(=CC=C5)OC)O","GZSNZQVDGGAGBN-UHFFFAOYSA-N","381386",NA,"PDBC40060","667926","Present"
-"N'-(8-(2-Hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-(8-(2-hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dio...","","CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC=CC=C5O","PLWJNYSOUXYBJD-UHFFFAOYSA-N","381374",NA,"PDBC40061","667914","Present"
-"N'-(8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-[8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide","","CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC(=C(C(=C5)OC)O)OC","JFEUSPHZFSYOGP-UHFFFAOYSA-N","383134",NA,"PDBC40062","671175","Present"
-"N'-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-[8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide","","CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC=C(C=C5)OC","ODMPWZTVXJOXSM-UHFFFAOYSA-N","381377",NA,"PDBC40063","667917","Present"
-"N'-(9-Acridinyl)-N,N-dimethylacetamidine","","","","","","","","","","","","","","","","","","","","LS-10318","","CC(=NC1=C2C=CC=CC2=NC3=CC=CC=C31)N(C)C","XDBBURYSKRHHLN-UHFFFAOYSA-N","58601",NA,"PDBC40064","665677","Present"
-"N'-(9-Acridinyl)-N,N-dimethylformamidine","","","","","","","","","","","","","","","","","","","","LS-69544","","CN(C)C=NC1=C2C=CC=CC2=NC3=CC=CC=C31","YXOSAKBHMGRAAV-UHFFFAOYSA-N","58264",NA,"PDBC40065","665673","Present"
-"N'-(9H-Carbazol-3-yl)-N,N-dimethylimidoformamide","","","","","","","","","","","","","","","","","","","","N'-(9H-carbazol-3-yl)-N,N-dimethyl-formamidine","","CN(C)C=NC1=CC2=C(C=C1)NC3=CC=CC=C32","OBDWDLLWFUKRAK-UHFFFAOYSA-N","380201",NA,"PDBC40066","665666","Present"
-"N'-(9H-Carbazol-9-yl)-N,N-dimethylimidoformamide","","","","","","","","","","","","","","","","","","","","N'-carbazol-9-yl-N,N-dimethyl-formamidine","","CN(C)C=NN1C2=CC=CC=C2C3=CC=CC=C31","ZMZQESQRPVVTKB-LFIBNONCSA-N","9556163",NA,"PDBC40067","664947","Present"
-"N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-hydroxybenzohydrazide","","C1=CC=C2C(=C1)C=CC(=C2C(C#N)NNC(=O)C3=CC=CC=C3O)O","ZGJPAGJTSAPEGX-UHFFFAOYSA-N","375021",NA,"PDBC40068","653847","Present"
-"N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-phenylacetohydrazide","","C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=C(C=CC3=CC=CC=C32)O","YYJNDSBCWFLUBU-UHFFFAOYSA-N","375004",NA,"PDBC40069","653830","Present"
-"N'-(Cyano(2-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(2-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide","","C1=CC=C(C(=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)O","YCJVKSXHYKQCFQ-UHFFFAOYSA-N","375016",NA,"PDBC40070","653842","Present"
-"N'-(Cyano(2-hydroxyphenyl)methyl)-2-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(2-hydroxyphenyl)methyl)-2-phenylacetohydrazide","","C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC=CC=C2O","UINAKDNGHDHMFG-UHFFFAOYSA-N","374997",NA,"PDBC40071","653823","Present"
-"N'-(Cyano(3,4,5-trimethoxyphenyl)methyl)-2-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(3,4,5-trimethoxyphenyl)methyl)-2-phenylacetohydrazide","","COC1=CC(=CC(=C1OC)OC)C(C#N)NNC(=O)CC2=CC=CC=C2","YPMNMTOQBDIYOZ-UHFFFAOYSA-N","375003",NA,"PDBC40072","653829","Present"
-"N'-(Cyano(3,4-dimethoxyphenyl)methyl)-2-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(3,4-dimethoxyphenyl)methyl)-2-phenylacetohydrazide","","COC1=C(C=C(C=C1)C(C#N)NNC(=O)CC2=CC=CC=C2)OC","DDTMPEKDWLRKHB-UHFFFAOYSA-N","375001",NA,"PDBC40073","653827","Present"
-"N'-(Cyano(3-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(3-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide","","C1=CC=C(C(=C1)C(=O)NNC(C#N)C2=CC(=CC=C2)O)O","CAWSZEWBPPNLAJ-UHFFFAOYSA-N","375018",NA,"PDBC40074","653844","Present"
-"N'-(Cyano(3-hydroxyphenyl)methyl)-2-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(3-hydroxyphenyl)methyl)-2-phenylacetohydrazide","","C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC(=CC=C2)O","DVOJGAJPUYZCCD-UHFFFAOYSA-N","375000",NA,"PDBC40075","653826","Present"
-"N'-(Cyano(4-(dimethylamino)phenyl)methyl)-2-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(4-(dimethylamino)phenyl)methyl)-2-phenylacetohydrazide","","CN(C)C1=CC=C(C=C1)C(C#N)NNC(=O)CC2=CC=CC=C2","QFOJYTRVAZKGRO-UHFFFAOYSA-N","375002",NA,"PDBC40076","653828","Present"
-"N'-(Cyano(4-(hydroxy(oxido)amino)phenyl)methyl)-2-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(4-(hydroxy(oxido)amino)phenyl)methyl)-2-phenylacetohydrazide","","C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC=C(C=C2)[N+](=O)[O-]","CLMMKPJCFHIAFW-UHFFFAOYSA-N","374998",NA,"PDBC40077","653824","Present"
-"N'-(Cyano(4-hydroxy-3-methoxyphenyl)methyl)-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(4-hydroxy-3-methoxyphenyl)methyl)-2-hydroxybenzohydrazide","","COC1=C(C=CC(=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)O","XCMGBOMIGRLWQB-UHFFFAOYSA-N","375019",NA,"PDBC40078","653845","Present"
-"N'-(Cyano(4-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(4-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide","","C1=CC=C(C(=C1)C(=O)NNC(C#N)C2=CC=C(C=C2)O)O","NMRCKZYOCFRXEB-UHFFFAOYSA-N","375017",NA,"PDBC40079","653843","Present"
-"N'-(Cyano(4-hydroxyphenyl)methyl)-2-phenylacetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(4-hydroxyphenyl)methyl)-2-phenylacetohydrazide","","C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC=C(C=C2)O","MESZBNVENSIJMS-UHFFFAOYSA-N","374999",NA,"PDBC40080","653825","Present"
-"N'-(Cyano(phenyl)methyl)-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Cyano(phenyl)methyl)-2-hydroxybenzohydrazide","","C1=CC=C(C=C1)C(C#N)NNC(=O)C2=CC=CC=C2O","XFTKNVFYPFAYMY-UHFFFAOYSA-N","375015",NA,"PDBC40081","653841","Present"
-"N'-(Furan-2-carbonyl)furan-2-carbohydrazide","","","","","","","","","","","","","","","","","","","","CBMicro_033739","","C1=COC(=C1)C(=O)NNC(=O)C2=CC=CO2","ZSZCPXMWJPLSLT-UHFFFAOYSA-N","393334",NA,"PDBC40082","695042","Present"
-"N'-(Furan-2-ylmethyl)-1H-indole-2-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Furan-2-ylmethyl)-1H-indole-2-carbohydrazide","","C1=CC=C2C(=C1)C=C(N2)C(=O)NNCC3=CC=CO3","XOPMVSVMIJISLA-UHFFFAOYSA-N","399296",NA,"PDBC40083","709985","Present"
-"N'-(Mesitylmethylene)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","STK434534","","CC1=CC(=C(C(=C1)C)C=NNS(=O)(=O)C2=CC=CC=C2)C","PGXZDRRNQRSPFM-GZTJUZNOSA-N","6908564",NA,"PDBC40084","623231","Present"
-"N'-(Naphthalen-1-ylmethyl)hexane-1,6-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-(Naphthalen-1-ylmethyl)hexane-1,6-diamine;hydrochloride","","C1=CC=C2C(=C1)C=CC=C2CNCCCCCCN.Cl","BISQAICZRQFSHR-UHFFFAOYSA-N","370870",NA,"PDBC40085","644604","Present"
-"N'-(Phenylthiocarbamoyl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-(Phenylthiocarbamoyl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]acetohydrazide","","COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NNC(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)OC","KNMKIFLOUUCUAW-UHFFFAOYSA-N","5471321",NA,"PDBC40086","710442","Present"
-"N'-2,1,3-Benzoxadiazol-5-yl-N,N-dimethylimidoformamide","","","","","","","","","","","","","","","","","","","","TimTec1_005863","","CN(C)C=NC1=CC2=NON=C2C=C1","BJGYYUDLLLYSCJ-UHFFFAOYSA-N","379415",NA,"PDBC40087","663957","Present"
-"N'-Acridin-9-yl-N-ethylethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N'-Acridin-9-yl-N-ethylethane-1,2-diamine","","CCNCCNC1=C2C=CC=CC2=NC3=CC=CC=C31","CEVLVHXFAQDRLC-UHFFFAOYSA-N","387998",NA,"PDBC40088","682361","Present"
-"N'-Acridin-9-yl-N-ethylpropane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N'-Acridin-9-yl-N-ethylpropane-1,3-diamine","","CCNCCCNC1=C2C=CC=CC2=NC3=CC=CC=C31","SJXFQZMCGNYZEP-UHFFFAOYSA-N","387999",NA,"PDBC40089","682362","Present"
-"N'-Amino-N-(diaminomethylideneamino)-2-phenylethanimidamide","","","","","","","","","","","","","","","","","","","","NSC641606","","C1=CC=C(C=C1)CC(=NN)NN=C(N)N","NVFBYAJGHVGYAQ-UHFFFAOYSA-N","5465173",NA,"PDBC40090","641606","Present"
-"N'-Benzenesulphono-N-nicotinohydrazide","","","","","","","","","","","","","","","","","","","","NSC13150","","C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CN=CC=C2","LJMCUUNDKMWSJZ-UHFFFAOYSA-N","73099",NA,"PDBC40091","13150","Present"
-"N'-Benzo[1,3]dioxol-5-ylmethyl-N,N-dimethyl-formamidine","","","","","","","","","","","","","","","","","","","","N'-Benzo[1,3]dioxol-5-ylmethyl-N,N-dimethyl-formamidine","","CN(C)C=NCC1=CC2=C(C=C1)OCO2","YVOAEGCEWBVMNH-UHFFFAOYSA-N","379827",NA,"PDBC40092","664957","Present"
-"N'-Benzyl-4-[4-[4-(N'-benzylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-dibenzyl 4,4'-(1,4-piperazinediyl)bisbenzenedicarbo...","","C1CN(CCN1C2=CC=C(C=C2)C(=NCC3=CC=CC=C3)N)C4=CC=C(C=C4)C(=NCC5=CC=CC=C5)N.Cl","XRIJNOSFZVKRGJ-UHFFFAOYSA-N","24202803",NA,"PDBC40093","725987","Present"
-"N'-Benzyl-N''-cyano-N,N-dimethylguanidine","","","","","","","","","","","","","","","","","","","","2-Benzyl-3-cyano-1,1-dimethylguanidine","","CN(C)C(=NCC1=CC=CC=C1)NC#N","ZUAXTXXTCHMKNT-UHFFFAOYSA-N","373923",NA,"PDBC40094","650953","Present"
-"N'-Benzyl-N,N-dibutyl-N''-cyanoguanidine","","","","","","","","","","","","","","","","","","","","N'-Benzyl-N,N-dibutyl-N''-cyanoguanidine","","CCCCN(CCCC)C(=NCC1=CC=CC=C1)NC#N","SPKPUQMAOBTDDX-UHFFFAOYSA-N","373924",NA,"PDBC40095","650954","Present"
-"N'-Benzylidene-2,3,4,5,6-pentafluorobenzohydrazide","","","","","","","","","","","","","","","","","","","","N'-Benzylidene-2,3,4,5,6-pentafluorobenzohydrazide","","C1=CC=C(C=C1)C=NNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F","HADIVCVQIQBUPF-CGOBSMCZSA-N","9571490",NA,"PDBC40096","671893","Present"
-"N'-Benzylidene-2-((3-ethyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio)acetohydrazide","","","","","","","","","","","","","","","","","","","","Acetic acid, 2-[(3-ethyl-3,4-dihydro-4-oxo- 2-quinazolin...","","CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC=CC=C3","SVHMJVCNNBOTLB-UDWIEESQSA-N","9571605",NA,"PDBC40097","686367","Present"
-"N'-Benzylidene-2-(methylthio)imidazo[2,1-a]isoquinoline-3-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-Benzylidene-2-(methylthio)imidazo[2,1-a]isoquinoline-3-carbohydrazide","","CSC1=C(N2C=CC3=CC=CC=C3C2=N1)C(=O)NN=CC4=CC=CC=C4","WTKOEWWTPGFMGH-FYJGNVAPSA-N","9571608",NA,"PDBC40098","686660","Present"
-"N'-Benzylidene-4-((1-methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-Benzylidene-4-((1-methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide","","CN1C(=O)C(=CC2=CC=C(C=C2)S(=O)(=O)NN=CC3=CC=CC=C3)NC1=O","CHXSPISSSOQPOX-XRWSEXJESA-N","9571572",NA,"PDBC40099","683747","Present"
-"N'-Benzylidene-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-Benzylidene-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide","","C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)C=C3C(=O)NC(=O)N3","UEVVJSUCCBFDOD-ODXRKRKHSA-N","9571571",NA,"PDBC40100","683746","Present"
-"N'-Carbamimidoyl-2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-Carbamimidoyl-2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)C(=NC(=N)N)N)OC)[N+](=O)[O-].Cl","RCMMAAQSOWONSK-UHFFFAOYSA-N","24202932",NA,"PDBC40101","726311","Present"
-"N'-Carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-Carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","C1=CC(=C(C=C1O)C2=C(N3C=CSC3=N2)C(=NC(=N)N)N)O.Cl","LHDAIQUFZHUUII-UHFFFAOYSA-N","135436458",NA,"PDBC40102","725103","Present"
-"N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","COC1=CC(=C(C=C1C2=C(N3CCSC3=N2)C(=NC(=N)N)N)OC)[N+](=O)[O-].Cl","WOOBXCKNSVKASR-UHFFFAOYSA-N","24202930",NA,"PDBC40103","726310","Present"
-"N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","CC1=C(SC2=NC(=C(N12)C(=NC(=N)N)N)C3=CC(=C(C=C3OC)[N+](=O)[O-])OC)C.Cl","CRMSNPKJWZBDKT-UHFFFAOYSA-N","24202940",NA,"PDBC40104","726315","Present"
-"N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3OC)[N+](=O)[O-])OC)C(=NC(=N)N)N.Cl","DTKROJJXYPVUCZ-UHFFFAOYSA-N","24202934",NA,"PDBC40105","726312","Present"
-"N'-Carbamimidoyl-6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-Carbamimidoyl-6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride","","COC1=C(C=C(C=C1)C2=C(N3C=CSC3=N2)C(=NC(=N)N)N)OC.Cl","UAHSNMKLIOYNOW-UHFFFAOYSA-N","9572737",NA,"PDBC40106","725104","Present"
-"N'-Carbamothioyl-N-(2,6-dimethylphenyl)butanediamide","","","","","","","","","","","","","","","","","","","","N'-Carbamothioyl-N-(2,6-dimethylphenyl)butanediamide","","CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NC(=S)N","YXEVKMIOGLDXSK-UHFFFAOYSA-N","3004121",NA,"PDBC40107","630296","Present"
-"N'-Cyclododecylidene-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","Cyclododecanone tosylhydrazone","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCCCCCCCC2","LZGAEDSSYGTHLW-UHFFFAOYSA-N","380698",NA,"PDBC40108","666403","Present"
-"N'-Cycloheptyl-4-[4-[4-(N'-cycloheptylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-dicycloheptyl 4,4'-(1,4-piperazinediyl)bisbenzeneca...","","C1CCCC(CC1)N=C(C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=NC5CCCCCC5)N)N.Cl","OJCVNSPPFQMPMW-UHFFFAOYSA-N","24203696",NA,"PDBC40109","729164","Present"
-"N'-Cyclohexylidene-5-fluoro-3-phenyl-1H-indole-2-carbohydraz ide","","","","","","","","","","","","","","","","","","","","N'-cyclohexylidene-5-fluoro-3-phenyl-1H-indole-2-carbohy...","","C1CCC(=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)F)C4=CC=CC=C4)CC1","GDXZUXVEDUAWJR-UHFFFAOYSA-N","24205864",NA,"PDBC40110","737030","Present"
-"N'-Cyclooctyl-4-[4-[4-(N'-cyclooctylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-dicyclooctyl 4,4'-(1,4-piperazinediyl)bisbenzenecar...","","C1CCCC(CCC1)N=C(C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=NC5CCCCCCC5)N)N.Cl","UJROTHOAEMBEOB-UHFFFAOYSA-N","24203701",NA,"PDBC40111","729169","Present"
-"N'-Decyl-4-[4-[4-(N'-decylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-didecyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxim...","","CCCCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCCCC)N)N.Cl","LYLJINVMDWJQIM-UHFFFAOYSA-N","24203698",NA,"PDBC40112","729166","Present"
-"N'-Dihydro-2H-pyran-3(4H)-ylidene-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-Dihydro-2H-pyran-3(4H)-ylidene-4-methylbenzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCOC2","MXIWQUZCROYPLE-QBFSEMIESA-N","9571459",NA,"PDBC40113","666400","Present"
-"N'-Dodecyl-4-[4-[4-(N'-dodecylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-didodecyl 4,4'-(1,4-piperazinediyl)bisbenzenecarbox...","","CCCCCCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCCCCCC)N)N.Cl","MLMOUIILOYIQGU-UHFFFAOYSA-N","24203703",NA,"PDBC40114","729171","Present"
-"N'-Ethanethioylpyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-Ethanethioylisonicotinohydrazide","","CC(=S)NNC(=O)C1=CC=NC=C1","YJFZPMQMBGBOCK-UHFFFAOYSA-N","3000600",NA,"PDBC40115","636366","Present"
-"N'-Ethoxy-1-benzyl-5-(2,2-diethoxyethylamino)imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","N'-Ethoxy-1-benzyl-5-(2,2-diethoxyethylamino)imidazole-4...","","CCOC(CNC1=C(N=CN1CC2=CC=CC=C2)C(=NOCC)N)OCC","AFKZGIOSHMUILX-UHFFFAOYSA-N","135499227",NA,"PDBC40116","645088","Present"
-"N'-Heptyl-4-[4-[4-(N'-heptylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-diheptyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxi...","","CCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCC)N)N.Cl","HBNMZKAFRGCBQR-UHFFFAOYSA-N","24203700",NA,"PDBC40117","729168","Present"
-"N'-Methyl-N-[(1-methylbenzo[g]indol-3-yl)methyl]-N'-[2-[(1-methylbenzo[g]indol-3-yl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-Methyl-N-[(1-methylbenzo[g]indol-3-yl)methyl]-N'-[2-[(1-methylbenzo[g]indol-3-yl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride","","CN1C=C(C2=C1C3=CC=CC=C3C=C2)CNCCN(C)CCNCC4=CN(C5=C4C=CC6=CC=CC=C65)C.Cl","WLSJHPBDELRRJI-UHFFFAOYSA-N","397212",NA,"PDBC40118","704621","Present"
-"N'-Methylsulfonylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-Methylsulfonylbenzenesulfonohydrazide","","CS(=O)(=O)NNS(=O)(=O)C1=CC=CC=C1","NZRCHFUOJKRCRE-UHFFFAOYSA-N","367388",NA,"PDBC40119","637077","Present"
-"N'-Nonyl-4-[4-[4-(N'-nonylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-dinonyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxim...","","CCCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCCC)N)N.Cl","SZBGSTKMCMIKEK-UHFFFAOYSA-N","24203699",NA,"PDBC40120","729167","Present"
-"N'-Octyl-4-[4-[4-(N'-octylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-dioctyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxim...","","CCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCC)N)N.Cl","XOTCJTCWGZKLRG-UHFFFAOYSA-N","24203697",NA,"PDBC40121","729165","Present"
-"N'-Phenylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","NLEOEXCPIKOHJB-UHFFFAOYSA-N","","C1=CC=C(C=C1)NNS(=O)(=O)C2=CC=CC=C2","NLEOEXCPIKOHJB-UHFFFAOYSA-N","347804",NA,"PDBC40122","406666","Present"
-"N'-Tert-butyl-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide","","","","","","","","","","","","","","","","","","","","N'-Tert-butyl-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide","","CC(C)(C)NNC(=O)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl","SPZHRMWUYFFALS-UHFFFAOYSA-N","364796",NA,"PDBC40123","631555","Present"
-"N'-Tert-butyl-N-cyclohexyl-N-(2,2-diphenylethenyl)methanimidamide","","","","","","","","","","","","","","","","","","","","N'-Tert-butyl-N-cyclohexyl-N-(2,2-diphenylethenyl)methanimidamide","","CC(C)(C)N=CN(C=C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCCCC3","YCPJMVRLWPQQBI-UHFFFAOYSA-N","359361",NA,"PDBC40124","620172","Present"
-"N'-[(1E)-(4-Methoxyphenyl)methylene]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carbohydrazide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Methoxyphenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide","","CN1C(=O)C2=C(NC1=O)N=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)OC","GPCBYMAWJPGNSV-UFWORHAWSA-N","9571570",NA,"PDBC40125","683613","Present"
-"N'-[(1E)-2-[(Dimethylamino)methyl]-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-1-methyl-3-phenylpropylidene]-4-methylbenzenesulfonohydrazide hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(E)-[3-[(Dimethylamino)methyl]-4-(4-hydroxy-2-oxochromen-3-yl)-4-phenylbutan-2-ylidene]amino]-4-methylbenzenesulfonamide;hydrochloride","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C(CN(C)C)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","SYHQRCSEHUZGGS-BNCTYUPTSA-N","54681746",NA,"PDBC40126","647428","Present"
-"N'-[(2Z)-3,5-Dimethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-(3-Ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide","","CCN1C(=O)C(SC1=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC)C","AVRQOBSJGKPFJG-UZYVYHOESA-N","9572031",NA,"PDBC40127","691529","Present"
-"N'-[(2Z)-3-Allyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetohydrazide","","","","","","","","","","","","","","","","","","","","2-(3-Ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(Z)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]acetamide","","CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=C3N(C(=O)CS3)CC=C","DLXWUDSTKSLEEV-UZYVYHOESA-N","9572029",NA,"PDBC40128","691527","Present"
-"N'-[(3,4-Dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide","","","","","","","","","","","","","","","","","","","","N'-[(3,4-Dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide","","CN(CCN1CCCC1)CCN(C)CC2=CC(=C(C=C2)Cl)Cl.Br","FHYXHSWLITYDFQ-UHFFFAOYSA-N","398577",NA,"PDBC40129","708546","Present"
-"N'-[(3,4-Dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine;hydrobromide","","","","","","","","","","","","","","","","","","","","N'-[(3,4-Dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine;hydrobromide","","CN(CCCN(C)CC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2.Br","PGMAICGVXNFMKK-UHFFFAOYSA-N","398587",NA,"PDBC40130","708551","Present"
-"N'-[(3Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5,6-dioxopiperidin-3-ylidene]-2-cyanoacetohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5,6-dioxopiperidin-3-ylidene]amino]-2-cyanoacetamide","","CC1=CC(=C(C=C1)C)N2CC(=NNC(=O)CC#N)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","GAMXJKYDOOXCOF-WGOQTCKBSA-N","9569895",NA,"PDBC40131","623048","Present"
-"N'-[(3Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]-2-hydroxybenzamide","","CC1=C(C(=CC=C1)C)N2C(=O)C(=NNC(=O)C3=CC=CC=C3O)C(C(=O)C2=O)C4=NC5=CC=CC=C5S4","RMXTVFZMTXEHGA-ANYBSYGZSA-N","9555810",NA,"PDBC40132","631520","Present"
-"N'-[(3Z)-4-(1,3-Benzoxazol-2-yl)-1-(4-chlorophenyl)-2,5,6-trioxopiperidin-3-ylidene]-2-cyanoacetohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-(1,3-Benzoxazol-2-yl)-1-(4-chlorophenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]-2-cyanoacetamide","","C1=CC=C2C(=C1)N=C(O2)C3C(=NNC(=O)CC#N)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl","WSXRGMYFBVJKDE-ONUIUJJFSA-N","9569896",NA,"PDBC40133","623053","Present"
-"N'-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]-N-[3-(trifluoromethyl)phenyl]oxamide","","","","","","","","","","","","","","","","","","","","N'-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]-N-[3-(trifluoromethyl)phenyl]oxamide","","C1=CC(=CC(=C1)NC(=O)C(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O)C(F)(F)F","HXUWPLXXCCKXCI-UHFFFAOYSA-N","330961",NA,"PDBC40134","320867","Present"
-"N'-[(E)-1-(4-Hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]oxamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-1-(4-Hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]oxamide","","CC1=CC(=C(C(=O)O1)C(=NNC(=O)C(=O)N)C)O","ZNZGPECDPJDWJN-LFYBBSHMSA-N","135455595",NA,"PDBC40135","618490","Present"
-"N'-[(E)-1-Phenylpropylidene]benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","NSC623227","","CCC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2","XDQDZXNISIVDCT-FOCLMDBBSA-N","5464909",NA,"PDBC40136","623227","Present"
-"N'-[(E)-[(2R)-2-(3-Methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-[(2R)-2-(3-Methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide","","CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CC(NC3=CC=CC=C23)C4=CC(=CC=C4)OC","KCRLNXQTWQLXKK-GPVILSQPSA-N","135505172",NA,"PDBC40137","700264","Present"
-"N'-[(E)-[(2S)-2-(3-Methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-[(2S)-2-(3-Methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide","","CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CC(NC3=CC=CC=C23)C4=CC(=CC=C4)OC","KCRLNXQTWQLXKK-ZYDDJUIZSA-N","135505170",NA,"PDBC40138","700261","Present"
-"N'-[(E)-[(2S)-2-Phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-[(2S)-2-Phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide","","CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CC(NC3=CC=CC=C23)C4=CC=CC=C4","KSMXVBWVKOAUPU-NSXHUUFXSA-N","135510060",NA,"PDBC40139","622611","Present"
-"N'-[(E)-[(6S)-6-(3-Methoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide","","","","","","","","","","","","","","","","","","","","N'-[(E)-[(6S)-6-(3-Methoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide","","CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CC(NC3=CC4=C(C=C23)OCO4)C5=CC(=CC=C5)OC","DQCYPSWFLGWNBO-LOPUPNDHSA-N","135505171",NA,"PDBC40140","700262","Present"
-"N'-[(Z)-(6-Methyl-2,4-dioxopyran-3-ylidene)methyl]ethanedithioamide","","","","","","","","","","","","","","","","","","","","N~1~-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)ethanedithioamide","","CC1=CC(=C(C(=O)O1)C=NC(=S)C(=S)N)O","MRRBKEDDLVXBBX-UHFFFAOYSA-N","135409075",NA,"PDBC40141","657588","Present"
-"N'-[(Z)-[1-(Furan-2-yl)-6-(4-methoxyanilino)-1,6-dioxohexan-3-ylidene]amino]oxamide","","","","","","","","","","","","","","","","","","","","N'-[(Z)-[1-(Furan-2-yl)-6-(4-methoxyanilino)-1,6-dioxohexan-3-ylidene]amino]oxamide","","COC1=CC=C(C=C1)NC(=O)CCC(=NNC(=O)C(=O)N)CC(=O)C2=CC=CO2","PJNJBPXCAPECFC-XKZIYDEJSA-N","6297773",NA,"PDBC40142","631666","Present"
-"N'-[(Z)-[2-(7-Chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]oxamide","","","","","","","","","","","","","","","","","","","","N'-[(Z)-[2-(7-Chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]oxamide","","COC1=CC=C(C=C1)C(C(=NNC(=O)C(=O)N)C2=CC=C(C=C2)OC)C3(C4=C(C(=CC=C4)Cl)NC3=O)O","UMXSRMJVZMCNDB-MWAVMZGNSA-N","5924229",NA,"PDBC40143","632019","Present"
-"N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]-N-[2-(3,4-dichlorophenyl)ethyl]ethane-1,2-diamine;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]-N-[2-(3,4-dichlorophenyl)ethyl]ethane-1,2-diamine;(E)-but-2-enedioic acid","","C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NCCNCCC4=CC(=C(C=C4)Cl)Cl.C(=CC(=O)O)C(=O)O","ZNRGMADMLPFESA-WLHGVMLRSA-N","54611439",NA,"PDBC40144","708077","Present"
-"N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]-N-methylpropane-1,3-diamine;(E)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]-N-methylpropane-1,3-diamine;(E)-but-2-enedioic acid","","CNCCCNC1(CCCCC1)C2=CC3=CC=CC=C3S2.C(=CC(=O)O)C(=O)O","HIHUVUVMNANRQK-WLHGVMLRSA-N","54611499",NA,"PDBC40145","708074","Present"
-"N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]butane-1,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]butane-1,4-diamine;hydrochloride","","C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NCCCCN.Cl","WAVAHIWRZJGDQU-UHFFFAOYSA-N","398354",NA,"PDBC40146","708076","Present"
-"N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]propane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]propane-1,3-diamine;hydrochloride","","C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NCCCN.Cl","YURIOCXKUQEFOA-UHFFFAOYSA-N","398352",NA,"PDBC40147","708075","Present"
-"N'-[1-(1-Hydroxynaphthalen-2-yl)ethylidene]pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-[1-(1-hydroxynaphthalen-2-yl)ethylidene]pyridine-4-ca...","","CC(=NNC(=O)C1=CC=NC=C1)C2=C(C3=CC=CC=C3C=C2)O","WTXWEZCDRDKRNU-UDWIEESQSA-N","135408622",NA,"PDBC40148","54044","Present"
-"N'-[1-(2,4-Dihydroxyphenyl)ethylidene]isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","N'-[1-(2,4-Dihydroxyphenyl)ethylidene]isonicotinohydrazide","","CC(=NNC(=O)C1=CC=NC=C1)C2=C(C=C(C=C2)O)O","FLYFTBZHRIAXCH-CXUHLZMHSA-N","135408621",NA,"PDBC40149","54042","Present"
-"N'-[1-(2,4-Dimethoxyphenyl)ethyl]pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-[1-(2,4-Dimethoxyphenyl)ethyl]pyridine-4-carbohydrazide","","CC(C1=C(C=C(C=C1)OC)OC)NNC(=O)C2=CC=NC=C2","GEQQTRPYXXTMRI-UHFFFAOYSA-N","383898",NA,"PDBC40150","672809","Present"
-"N'-[1-(2,4-Dimethoxyphenyl)ethylidene]isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","N'-[1-(2,4-Dimethoxyphenyl)ethylidene]isonicotinohydrazide","","CC(=NNC(=O)C1=CC=NC=C1)C2=C(C=C(C=C2)OC)OC","QHSSBHINFGXAPX-WOJGMQOQSA-N","9555932",NA,"PDBC40151","655519","Present"
-"N'-[1-(2-Hydroxyphenyl)ethylidene]isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","NSC37379","","CC(=NNC(=O)C1=CC=NC=C1)C2=CC=CC=C2O","MAOCCGZSMYLPJX-MHWRWJLKSA-N","135408522",NA,"PDBC40152","37379","Present"
-"N'-[1-(2-Pyridinyl)ethylidene]-1-piperidinecarbothiohydrazide","","","","","","","","","","","","","","","","","","","","BRD-K58304294-001-01-5","","CC(=NNC(=S)N1CCCCC1)C2=CC=CC=N2","JLQJXIRORURHRB-RVDMUPIBSA-N","5484390",NA,"PDBC40153","289098","Present"
-"N'-[1-(3,4-Dichlorophenyl)ethyl]pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-[1-(3,4-Dichlorophenyl)ethyl]pyridine-4-carbohydrazide","","CC(C1=CC(=C(C=C1)Cl)Cl)NNC(=O)C2=CC=NC=C2","LDQXQZDEPQBVDL-UHFFFAOYSA-N","383895",NA,"PDBC40154","672806","Present"
-"N'-[1-(3,4-Dimethoxyphenyl)ethyl]pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-[1-(3,4-Dimethoxyphenyl)ethyl]pyridine-4-carbohydrazide","","CC(C1=CC(=C(C=C1)OC)OC)NNC(=O)C2=CC=NC=C2","RANIGMSYOXBQJX-UHFFFAOYSA-N","383899",NA,"PDBC40155","672810","Present"
-"N'-[1-(3-Fluoro-4-methoxyphenyl)ethyl]pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-[1-(3-Fluoro-4-methoxyphenyl)ethyl]pyridine-4-carbohydrazide","","CC(C1=CC(=C(C=C1)OC)F)NNC(=O)C2=CC=NC=C2","PRCAKEJOOZHBJD-UHFFFAOYSA-N","383897",NA,"PDBC40156","672808","Present"
-"N'-[1-(4-Fluorophenyl)ethyl]pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-[1-(4-Fluorophenyl)ethyl]pyridine-4-carbohydrazide","","CC(C1=CC=C(C=C1)F)NNC(=O)C2=CC=NC=C2","KVSUZWIAOJJUHO-UHFFFAOYSA-N","385617",NA,"PDBC40157","676922","Present"
-"N'-[1-(6-Chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)-2-(furan-2-yl)-2-hydroxyethylidene]-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-[1-(6-Chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)-2-(fur...","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(C4=CC=CO4)O","AOFZSBFZBLTBOC-XIEYBQDHSA-N","135499252",NA,"PDBC40158","647081","Present"
-"N'-[1-[3-(Trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-[1-[3-(Trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazide","","CC(C1=CC(=CC=C1)C(F)(F)F)NNC(=O)C2=CC=NC=C2","HOLGGBLXWXDABY-UHFFFAOYSA-N","383894",NA,"PDBC40159","672805","Present"
-"N'-[2-(1,3-Benzodioxol-5-yl)-4-hydroxy-5-imino-2,5-dihydrofuran-3-yl]benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-[2-(1,3-Benzodioxol-5-yl)-4-hydroxy-5-imino-2,5-dihydrofuran-3-yl]benzenesulfonohydrazide","","C1OC2=C(O1)C=C(C=C2)C3C(=NNS(=O)(=O)C4=CC=CC=C4)C(=C(O3)N)O","XANQUOMWIBGPKR-RGEXLXHISA-N","5925293",NA,"PDBC40160","640354","Present"
-"N'-[2-(1,3-Benzoxazol-2-ylamino)-6-methylpyrimidin-4-yl]-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N'-[2-(1,3-Benzoxazol-2-ylamino)-6-methylpyrimidin-4-yl]-2-hydroxybenzohydrazide","","CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3O2)NNC(=O)C4=CC=CC=C4O","PAPBSZJINJNVHO-UHFFFAOYSA-N","24205702",NA,"PDBC40161","736401","Present"
-"N'-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine;hydrobromide","","","","","","","","","","","","","","","","","","","","N'-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine;hydrobromide","","CN(CCCN1CCCC1)CCCN(C)CCC2=CC(=C(C=C2)Cl)Cl.Br","ZIVOBJVOMHAZFV-UHFFFAOYSA-N","398581",NA,"PDBC40162","708548","Present"
-"N'-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butane-1,4-diamine;hydrobromide","","","","","","","","","","","","","","","","","","","","N'-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butane-1,4-diamine;hydrobromide","","CN(CCCCN1CCCC1)CCCCN(C)CCC2=CC(=C(C=C2)Cl)Cl.Br","SAJDFXCTCCWXLD-UHFFFAOYSA-N","398579",NA,"PDBC40163","708547","Present"
-"N'-[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]benzohydrazide","","","","","","","","","","","","","","","","","","","","N'-[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]benzohydrazide","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC(=O)C4=CC=CC=C4","VFXKHWXPDLGZCY-UHFFFAOYSA-N","402032",NA,"PDBC40164","715727","Present"
-"N'-[2-[(3,5-Dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]phenazine-1-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-[2-[(3,5-Dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]phenazine-1-carbohydrazide","","C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)NNC(=O)CSC4=NNC(=O)NC4=O","SKWVPBBTBXDBEC-UHFFFAOYSA-N","403977",NA,"PDBC40165","719925","Present"
-"N'-[2-[[(Z)-4-[2-(3-Aminopropylamino)ethyldisulfanyl]but-2-enyl]disulfanyl]ethyl]propane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC624170///NSC624171","","C(CN)CNCCSSCC=CCSSCCNCCCN.Cl","LOZBFJHKCVQZMU-ODZAUARKSA-N","5387490",NA,"PDBC40166","624170///624171","Present"
-"N'-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide","","C1=CC(=CC=C1N2C(=C(C=N2)C(=O)NNS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F)Cl","ZGOQOYLFMADOMX-UHFFFAOYSA-N","2808268",NA,"PDBC40167","742826","Present"
-"N'-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N'-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine","","CN(CCCN)CCCNC1=NC2=CC=CC=C2C3=C1C4=CC=CC=C4N3","KKQPCTDVEDKULV-UHFFFAOYSA-N","24205777",NA,"PDBC40168","736612","Present"
-"N'-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)propyl]propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N'-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)propyl]propane-1,3-diamine","","C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCCNCCCN","ZTGIGQNMIURYRU-UHFFFAOYSA-N","24205776",NA,"PDBC40169","736611","Present"
-"N'-[3-(3-Aminopropylamino)propyl]propane-1,3-diamine;hydrobromide","","","","","","","","","","","","","","","","","","","","N'-[3-(3-Aminopropylamino)propyl]propane-1,3-diamine;hydrobromide","","C(CN)CNCCCNCCCN.Br","UIIIHBJGAJYZMR-UHFFFAOYSA-N","398090",NA,"PDBC40170","707454","Present"
-"N'-[3-(Chloromethyl)-1-methylsulfonyl-2,3-dihydroindol-6-yl]ethane-1,2-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N'-[3-(Chloromethyl)-1-methylsulfonyl-2,3-dihydroindol-6-yl]ethane-1,2-diamine;hydrochloride","","CS(=O)(=O)N1CC(C2=C1C=C(C=C2)NCCN)CCl.Cl","OOZVTPBORYPNJX-UHFFFAOYSA-N","389317",NA,"PDBC40171","685227","Present"
-"N'-[3-(Hexadecylamino)propyl]-N'-methylpropane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N'-[3-(Hexadecylamino)propyl]-N'-methylpropane-1,3-diamine","","CCCCCCCCCCCCCCCCNCCCN(C)CCCN","YXAXRWKOQLUXCW-UHFFFAOYSA-N","369998",NA,"PDBC40172","642550","Present"
-"N'-[3-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Tris(3-aminopropoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]propyl]propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N'-[3-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Tris(3-aminopropoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]propyl]p","","CC(CCCNCCCNCCCN)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCCN)C)OCCCN)OCCCN)C","AUUTYQUDFHNMLF-LUQWFGBKSA-N","24205349",NA,"PDBC40173","735212","Present"
-"N'-[4-(1,3-Benzothiazol-2-yl)-2,5,6-trioxo-1-(1,3-thiazol-2-yl)piperidin-3-ylidene]-2-hydroxybenzohydrazide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-(1,3-Benzothiazol-2-yl)-2,5,6-trioxo-1-(1,3-thiazol-2-yl)piperidin-3-ylidene]amino]-2-hydroxybenzamide","","C1=CC=C(C(=C1)C(=O)NN=C2C(C(=O)C(=O)N(C2=O)C3=NC=CS3)C4=NC5=CC=CC=C5S4)O","AFOVBFGUFQEADK-XYGWBWBKSA-N","9555785",NA,"PDBC40174","623765","Present"
-"N'-[4-(4-Nitroanilino)-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","N'-[4-(4-Nitroanilino)-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide","","C1=CC=C(C=C1)CC(=O)NNC2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])NNC(=O)C4=CC=NC=C4","CBXCJQGEQQMSQA-UHFFFAOYSA-N","11979372",NA,"PDBC40175","660831","Present"
-"N'-[5-Cyano-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidin-2-yl]acetohydrazide","","","","","","","","","","","","","","","","","","","","N'-[5-Cyano-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidin-2-yl]acetohydrazide","","CC(=O)NNC1=NC(=C(C(=O)N1C)C#N)C2=CC=C(C=C2)[N+](=O)[O-]","HLJHELUUMGFSFE-UHFFFAOYSA-N","5472891",NA,"PDBC40176","722321","Present"
-"N'-[5-Formyl-6-(2-oxochromen-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide","","","","","","","","","","","","","","","","","","","","N'-[5-Formyl-6-(2-oxochromen-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide","","CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC4=CC=CC=C4OC3=O)C=O","LXYWIOXQGRZBOI-GIJQJNRQSA-N","9601323",NA,"PDBC40177","699669","Present"
-"N'-[5-Formyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide","","","","","","","","","","","","","","","","","","","","N'-[5-Formyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide","","CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)[N+](=O)[O-])C=O","PJBIYCFFSDKDFJ-OVCLIPMQSA-N","9556375",NA,"PDBC40178","699668","Present"
-"N'-[5-Formyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide","","","","","","","","","","","","","","","","","","","","N'-[5-Formyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide","","CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)C4=CC=CC=C4)C=O","MIULDYSRBPMQEI-FYJGNVAPSA-N","9601325",NA,"PDBC40179","699671","Present"
-"N'-[5-Formyl-6-[5-(4-nitrophenyl)furan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide","","","","","","","","","","","","","","","","","","","","N'-[5-Formyl-6-[5-(4-nitrophenyl)furan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide","","CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C=O","ULLRDSBDZSEJER-VXLYETTFSA-N","9601324",NA,"PDBC40180","699670","Present"
-"N'-[6-(4-Chlorophenyl)-5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide","","","","","","","","","","","","","","","","","","","","N'-[6-(4-Chlorophenyl)-5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide","","CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C=O","OWWLPPXVCJSSED-LZYBPNLTSA-N","9556374",NA,"PDBC40181","699667","Present"
-"N'-{(1E)-[4,5-Bis(2-chlorophenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-{(1E)-[4,5-Bis(2-chlorophenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C(=C(O2)C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)[N+](=O)[O-]","CQDNVKPMJNYADB-MZJWZYIUSA-N","9555882",NA,"PDBC40182","647122","Present"
-"N'-{(1E)-[4,5-Bis(4-ethoxyphenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N'-{(1E)-[4,5-Bis(4-ethoxyphenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide","","CCOC1=CC=C(C=C1)C2=C(OC(=C2[N+](=O)[O-])C=NNS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)OCC","IDJTUCWSTXIVPE-RDRPBHBLSA-N","9555880",NA,"PDBC40183","647120","Present"
-"N'-{(E)-1-[3-(Trifluoromethyl)phenyl]ethylidene}isonicotinohydrazide","","","","","","","","","","","","","","","","","","","","N'-{(E)-1-[3-(Trifluoromethyl)phenyl]ethylidene}isonicotinohydrazide","","CC(=NNC(=O)C1=CC=NC=C1)C2=CC(=CC=C2)C(F)(F)F","KIDKVXVJNIJPAZ-KEBDBYFISA-N","9555931",NA,"PDBC40184","655518","Present"
-"N'-{2-[2-(4-Methoxy-phenyl)-vinyl]quinazolin-4-yl}-N,3-diamine hydrochloride","","","","","","","","","","","","","","","","","","","","N'-{2-[2-(4-Methoxy-phenyl)-vinyl]quinazolin-4-yl}-N,N-d...","","CN(C)CCCNC1=NC(=NC2=CC=CC=C21)C=CC3=CC=C(C=C3)OC.Cl","NQBFEPBHORUBNS-JHGYPSGKSA-N","54613149",NA,"PDBC40185","749297","Present"
-"N'1,N'4-Bis(2-hydroxybenzylidene)succinohydrazide","","","","","","","","","","","","","","","","","","","","STK824750","","C1=CC=C(C(=C1)C=NNC(=O)CCC(=O)NN=CC2=CC=CC=C2O)O","IKQDBMRHCBEHHH-AYKLPDECSA-N","135429969",NA,"PDBC40186","628602","Present"
-"N'~1~-({2-[(4-Chlorophenyl)amino]-4-methyl-1,3-thiazol-5-yl}carbonyl)ethanedihydrazide","","","","","","","","","","","","","","","","","","","","N'~1~-({2-[(4-Chlorophenyl)amino]-4-methyl-1,3-thiazol-5-yl}carbonyl)ethanedihydrazide","","CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NNC(=O)C(=O)NN","RTCPCVSYTWNTMR-UHFFFAOYSA-N","367744",NA,"PDBC40187","637683","Present"
-"N'~1~-[(1E)-3-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)-1-methylpropylidene]ethanedihydrazide","","","","","","","","","","","","","","","","","","","","N'~1~-[(1E)-3-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)-1-methylpropylidene]ethanedihydrazide","","CC(=NNC(=O)C(=O)NN)CCN1C(=O)C=CC(=O)N1","VLHZSTKQVNSWNF-AWNIVKPZSA-N","6079094",NA,"PDBC40188","631549","Present"
-"N'~1~-[2,2-Dichloro-1-(1,1-dichloro-2-hydroxyethyl)-3-hydroxypropylidene]ethanedihydrazide","","","","","","","","","","","","","","","","","","","","N'~1~-[2,2-Dichloro-1-(1,1-dichloro-2-hydroxyethyl)-3-hydroxypropylidene]ethanedihydrazide","","C(C(C(=NNC(=O)C(=O)NN)C(CO)(Cl)Cl)(Cl)Cl)O","DDUWTKRLMMNJMC-UHFFFAOYSA-N","368931",NA,"PDBC40189","640339","Present"
-"N'~3~,N'~5~-Bis(2-hydroxybenzoyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbohydrazide","","","","","","","","","","","","","","","","","","","","Pyridine-3,5-dicarboxylic acid, 1,4-dihydro-2,6-dimethyl...","","CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C2=CC=CC=C2O)C(=O)NNC(=O)C3=CC=CC=C3O","BDOMQHAOCNPNGK-UHFFFAOYSA-N","377030",NA,"PDBC40190","658247","Present"
-"N'~3~,N'~5~-Dibenzoyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbohydrazide","","","","","","","","","","","","","","","","","","","","N'~3~,N'~5~-Dibenzoyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbohydrazide","","CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3","NMBFEDOFNQFPFM-UHFFFAOYSA-N","376638",NA,"PDBC40191","657670","Present"
-"N'~3~,N'~5~-Dibenzoyl-2,6-dimethylpyridine-3,5-dicarbohydrazide","","","","","","","","","","","","","","","","","","","","N'~3~,N'~5~-Dibenzoyl-2,6-dimethylpyridine-3,5-dicarbohydrazide","","CC1=C(C=C(C(=N1)C)C(=O)NNC(=O)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3","FAVNNTAFEBYTHV-UHFFFAOYSA-N","376629",NA,"PDBC40192","657659","Present"
-"N(1)-(6-Chloro-2-methoxy-9-acridinyl)-N(7),N(7)-diethyl-1,7-heptanediamine","","","","","","","","","","","","","","","","","","","","N(1)-(6-Chloro-2-methoxy-9-acridinyl)-N(7),N(7)-diethyl-1,7-heptanediamine","","CCN(CC)CCCCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC","XDESOPZVFRSNRT-UHFFFAOYSA-N","245074",NA,"PDBC40193","56618","Present"
-"N(2)-(3-Trifluoromethylphenyl)guanine","","","","","","","","","","","","","","","","","","","","TMPG","","C1=CC(=CC(=C1)NC2=NC3=C(C(=O)N2)NC=N3)C(F)(F)F","IOWPKEYIXBBDOQ-UHFFFAOYSA-N","135435057",NA,"PDBC40194","682528","Present"
-"N(2-Pyridyl),N'{2-(4-phenylene)benzothiazole}thiourea","","","","","","","","","","","","","","","","","","","","N(2-Pyridyl),N'{2-(4-phenylene)benzothiazole}thiourea","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=CC=N4","GJBBHYXCNUZRBG-UHFFFAOYSA-N","24202656",NA,"PDBC40195","725660","Present"
-"N(4)-(4-Bromophenyl)-N(2)-methyl-5-nitroso-2,4,6-pyrimidinetriamine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 4-amino-6-(p-bromoanilino)-2-(methylamino)-5...","","CNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Br)N=O)N","UMSTYZICPACHCX-UHFFFAOYSA-N","252368",NA,"PDBC40196","74199","Present"
-"N(4)-(7-((7-Amino-2-methyl-4-quinolinyl)amino)heptyl)-2-methyl-4,7-quinolinediamine","","","","","","","","","","","","","","","","","","","","4,7-quinolinediamine, n4,n4'-1,7-heptanediylbis[2-methyl-","","CC1=CC(=C2C=CC(=CC2=N1)N)NCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N","QZWSSKXXZSJIMA-UHFFFAOYSA-N","152481",NA,"PDBC40197","273829","Present"
-"N(6)-(2-Carboxyethyl)adenine","","","","","","","","","","","","","","","","","","","","PG9A8I4S8I","","C1=NC2=C(N1)C(=NC=N2)NCCC(=O)O","ALBHTZMRHDQGAA-UHFFFAOYSA-N","95806",NA,"PDBC40198","37388","Present"
-"N(cyclohexyl)N' 2-(4-phenylene)benzimidazole thiourea","","","","","","","","","","","","","","","","","","","","N(cyclohexyl)N' 2-(4-phenylene)benzimidazole thiourea","","C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","DLKQFYZYBGPLKO-UHFFFAOYSA-N","24202652",NA,"PDBC40199","725656","Present"
-"N(p-Chlorophenyl),N' 2-(4-phenylene)benzimidazole thiourea","","","","","","","","","","","","","","","","","","","","N(p-Chlorophenyl),N' 2-(4-phenylene)benzimidazole thiourea","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl","YTTTVMYQXSLACF-UHFFFAOYSA-N","24202653",NA,"PDBC40200","725657","Present"
-"N, O-Diethoxyacetyl-3-demethyldeactylthiocolchicin","","","","","","","","","","","","","","","","","","","","N, O-Diethoxyacetyl-3-demethyldeactylthiocolchicin","","CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC(=O)COCC","NGSBHZFTKFWKBZ-IBGZPJMESA-N","379556",NA,"PDBC40201","664231","Present"
-"N,1-Bis(2,4-dichlorophenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Bis(2,4-dichlorophenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide","","C1=CC(=C(C=C1Cl)Cl)NC(=O)C2C(=O)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl","ZTRQDADQTQQVSH-UHFFFAOYSA-N","366977",NA,"PDBC40202","636139","Present"
-"N,1-Bis(2,6-dimethylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Bis(2,6-dimethylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","CC1=C(C(=CC=C1)C)NC(=O)C2C(=NN)C(=O)N(C2=O)C3=C(C=CC=C3C)C","BWJPYULRLZRXOR-ULJHMMPZSA-N","6105822",NA,"PDBC40203","623873","Present"
-"N,1-Bis(2-methoxyethyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Bis(2-methoxyethyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide","","COCCNC(=O)C1C(=O)C(=O)N(C1=O)CCOC","FMAQPMNWWAHJRY-UHFFFAOYSA-N","361067",NA,"PDBC40204","623871","Present"
-"N,1-Bis(3,4-dichlorophenyl)-4-(hydroxyimino)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Bis(3,4-dichlorophenyl)-4-(hydroxyimino)-2,5-dioxo-3-pyrrolidinecarboxamide","","C1=CC(=C(C=C1NC(=O)C2C(=NO)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl)Cl","WPRRKHZUQPPHGI-UCQKPKSFSA-N","9569906",NA,"PDBC40205","623874","Present"
-"N,1-Bis(3,4-dichlorophenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Bis(3,4-dichlorophenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","C1=CC(=C(C=C1NC(=O)C2C(=NN)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl)Cl","FFVMXXVRKYBPGA-OYKKKHCWSA-N","9569992",NA,"PDBC40206","630896","Present"
-"N,1-Bis(4-chloro-2-methylphenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Bis(4-chloro-2-methylphenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C2C(=O)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C","NQWIKQZZYNDYME-UHFFFAOYSA-N","361078",NA,"PDBC40207","623883","Present"
-"N,1-Bis(4-chloro-2-methylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Bis(4-chloro-2-methylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C2C(=NN)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C","QZMHTTAHZVBKRU-JLPGSUDCSA-N","9569908",NA,"PDBC40208","623895","Present"
-"N,1-Bis(4-chlorophenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Bis(4-chlorophenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide","","C1=CC(=CC=C1NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)Cl)Cl","PPJUJHOGDGQABC-UHFFFAOYSA-N","361082",NA,"PDBC40209","623887","Present"
-"N,1-Bis(4-methylphenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Bis(4-methylphenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide","","CC1=CC=C(C=C1)NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)C","IGKQIAAUFHKVHE-UHFFFAOYSA-N","364507",NA,"PDBC40210","630893","Present"
-"N,1-Dibenzyl-2,4,5-trioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","NSC632953","","C1=CC=C(C=C1)CNC(=O)C2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3","YLJZYSPLPXMFFK-UHFFFAOYSA-N","365367",NA,"PDBC40211","632953","Present"
-"N,1-Dibenzyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Dibenzyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","C1=CC=C(C=C1)CNC(=O)C2C(=NN)C(=O)N(C2=O)CC3=CC=CC=C3","CPZUYKYPLMVBBH-JWGURIENSA-N","5936482",NA,"PDBC40212","630900","Present"
-"N,1-Dibutyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Dibutyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","CCCCNC(=O)C1C(=NN)C(=O)N(C1=O)CCCC","UGFWYJGQYSCEGV-YBEGLDIGSA-N","9569998",NA,"PDBC40213","630907","Present"
-"N,1-Dicycloheptyl-4-(hydroxyimino)-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Dicycloheptyl-4-(hydroxyimino)-2,5-dioxo-3-pyrrolidinecarboxamide","","C1CCCC(CC1)NC(=O)C2C(=NO)C(=O)N(C2=O)C3CCCCCC3","JPAKCOLMLXTROK-PGMHBOJBSA-N","9569910",NA,"PDBC40214","623899","Present"
-"N,1-Dicycloheptyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Dicycloheptyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","C1CCCC(CC1)NC(=O)C2C(=NN)C(=O)N(C2=O)C3CCCCCC3","FLOBZJGGKNBVQV-JWGURIENSA-N","9569993",NA,"PDBC40215","630897","Present"
-"N,1-Dicyclohexyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N,1-Dicyclohexyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide","","C1CCC(CC1)NC(=O)C2C(=NN)C(=O)N(C2=O)C3CCCCC3","RPBSNEWYZGLSRS-ZHZULCJRSA-N","9569907",NA,"PDBC40216","623894","Present"
-"N,10-Decanedicarboxamide dihydrochloride hydrate","","","","","","","","","","","","","","","","","","","","NSC634699","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","KLGQFDZXZZFPNB-UHFFFAOYSA-N","366337",NA,"PDBC40217","634699","Present"
-"N,11,12-Trimethyl-11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbimide","","","","","","","","","","","","","","","","","","","","3,13,23-Trimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione","","CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)N(C4=O)C","SOIJVCSZRPPGDQ-UHFFFAOYSA-N","392067",NA,"PDBC40218","691879","Present"
-"N,12'-Chrysenyl)-bis-[4-(1'-piperidinyl)-butane-1,4-di amine","","","","","","","","","","","","","","","","","","","","N,N-(6',12'-chrysenyl)-bis-[4-(1'-piperidinyl)-butane-1,...","","C1CCN(CC1)CCCCNC2=CC3=C(C=C(C4=CC=CC=C43)NCCCCN5CCCCC5)C6=CC=CC=C62","SARVALDVDXJZEV-UHFFFAOYSA-N","11250083",NA,"PDBC40219","729108","Present"
-"N,12'-Chrysenyl)-bis[4-(4'N-methyl-piperazinyl)-butane-1,4-diamine.hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-(6',12'-Chrysenyl)-bis[4-(4'N-methyl-piperazinyl)-bu...","","CN1CCN(CC1)CCCCNC2=CC3=C(C=C(C4=CC=CC=C43)NCCCCN5CCN(CC5)C)C6=CC=CC=C62.Cl","ZPOPTUDQSXBXAY-UHFFFAOYSA-N","404332",NA,"PDBC40220","720531","Present"
-"N,2,3,4,5,6-Hexahydroxyhexanamide","","","","","","","","","","","","","","","","","","","","NSC275890///NSC733426","","C(C(C(C(C(C(=O)NO)O)O)O)O)O","RMRPUORFNOLLGJ-UHFFFAOYSA-N","321825",NA,"PDBC40221","275890///733426","Present"
-"N,2-Bis(4-chlorophenyl)-N,2-dihydroxypropanamide","","","","","","","","","","","","","","","","","","","","N,2-Bis(4-chlorophenyl)-N,2-dihydroxypropanamide","","CC(C1=CC=C(C=C1)Cl)(C(=O)N(C2=CC=C(C=C2)Cl)O)O","XUTSAJJKKLBVDN-UHFFFAOYSA-N","387899",NA,"PDBC40222","682130","Present"
-"N,2-Bis(diethoxyphosphoryl)aniline","","","","","","","","","","","","","","","","","","","","N,2-Bis(diethoxyphosphoryl)aniline","","CCOP(=O)(C1=CC=CC=C1NP(=O)(OCC)OCC)OCC","YWWWVNIBJQJORM-UHFFFAOYSA-N","392911",NA,"PDBC40223","694094","Present"
-"N,2-Dicyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N,2-Dicyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine","","C1CCC(C1)C2=NC3=C(N2)C(=NC4=CC=CC=C43)NC5CCCC5","VVEHKPZLRKEVHD-UHFFFAOYSA-N","5465569",NA,"PDBC40224","654949","Present"
-"N,2-Dimethylpropylenediamine","","","","","","","","","","","","","","","","","","","","N,N'-Dichlorodimaleonyl-2,2-dimethylpropylenediamine","","CC(C)(CNC(=O)C(=C(C(=O)O)Cl)Cl)CNC(=O)C(=C(C(=O)O)Cl)Cl","FZUBRGFRQSCSQX-SFECMWDFSA-N","5469927",NA,"PDBC40225","694314","Present"
-"N,2-Diphenylethanesulfinamide","","","","","","","","","","","","","","","","","","","","N,2-Diphenylethanesulfinamide","","C1=CC=C(C=C1)CCS(=O)NC2=CC=CC=C2","BRDZJHSJRAPMNM-UHFFFAOYSA-N","385392",NA,"PDBC40226","676566","Present"
-"N,3'-(2-Nitroimidazol-1H-yl)propyl] ammonium iodide","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-bis-[3,3'-(2-nitroimidazol-1H-yl)propyl] am...","","C[N+](C)(CCCN1C=CN=C1[N+](=O)[O-])CCCN2C=CN=C2[N+](=O)[O-].[I-]","KTOJOVNSRNKIBN-UHFFFAOYSA-M","378684",NA,"PDBC40227","661735","Present"
-"N,3,3-Triphenyl-2-benzothiophen-1-imine","","","","","","","","","","","","","","","","","","","","N,3,3-Triphenyl-2-benzothiophen-1-imine","","C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5","DPZATZZHSHMPRC-UHFFFAOYSA-N","376972",NA,"PDBC40228","658172","Present"
-"N,3,3-Tris(p-tolyl)-2-benzothiophen-1-imine","","","","","","","","","","","","","","","","","","","","N,3,3-Tris(p-tolyl)-2-benzothiophen-1-imine","","CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=NC4=CC=C(C=C4)C)S2)C5=CC=C(C=C5)C","GRLXMHGPEVIRHI-UHFFFAOYSA-N","376973",NA,"PDBC40229","658173","Present"
-"N,3,4-Triphenyl-3H-diazete-2-carboxamide","","","","","","","","","","","","","","","","","","","","N,3,4-Triphenyl-3H-diazete-2-carboxamide","","C1=CC=C(C=C1)C2C(=NN2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4","CBDOAMHUOZJFGI-UHFFFAOYSA-N","391904",NA,"PDBC40230","691585","Present"
-"N,3,5]Triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N,N'-Dicyclohexyl-N''-(4-methoxy-benzyl)-[1,3,5]triazine...","","COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCCC3)NC4CCCCC4","SLTYMKMZKWJEQM-UHFFFAOYSA-N","405308",NA,"PDBC40231","722501","Present"
-"N,3,5]Triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N,N'-Bis-(4-methoxy-benzyl)-6-morpholin-4-yl-[1,3,5]tria...","","COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)N3CCOCC3)NCC4=CC=C(C=C4)OC","ZNUCTEYILOKKFE-UHFFFAOYSA-N","405309",NA,"PDBC40232","722502","Present"
-"N,3-Diphenyl-1,4,2-dithiazol-5-imine;perchloric acid","","","","","","","","","","","","","","","","","","","","N,3-Diphenyl-1,4,2-dithiazol-5-imine;perchloric acid","","C1=CC=C(C=C1)C2=NSC(=NC3=CC=CC=C3)S2.OCl(=O)(=O)=O","GZCGECVHLFVZEG-UHFFFAOYSA-N","24202070",NA,"PDBC40233","622601","Present"
-"N,3-Dithiolanylidene)]piperazinium dibromide","","","","","","","","","","","","","","","","","","","","wln: t6k dktj au- bt5systj& du- bt5systj &e 2","","C1C[N+](=C2SCCS2)CC[N+]1=C3SCCS3.[Br-]","LEXOAAHKRRBLES-UHFFFAOYSA-M","54599379",NA,"PDBC40234","191956","Present"
-"N,3-Phenylene bis(3-cyanobenzamide)","","","","","","","","","","","","","","","","","","","","N,N'-1,3-phenylene bis(3-cyanobenzamide)","","C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC(=C3)C#N)C#N","NVJCXWZFFXLNNL-UHFFFAOYSA-N","24203363",NA,"PDBC40235","727665","Present"
-"N,4'-(1,4-Piperazinediyl)bisbenzenecarboxamidamide, dihydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-dubutyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxam...","","CCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCC)N)N.Cl","LVFKNORPDTVTMQ-UHFFFAOYSA-N","24202756",NA,"PDBC40236","725903","Present"
-"N,4,5,6-Tetrahydropyrimidine-2-yl)phenyl]homopip erazine","","","","","","","","","","","","","","","","","","","","N,N'-bis[4-(3,4,5,6-tetrahydropyrimidine-2-yl)phenyl]hom...","","C1CNC(=NC1)C2=CC=C(C=C2)N3CCCN(CC3)C4=CC=C(C=C4)C5=NCCCN5.Cl","IBBGPHIMJSBWON-UHFFFAOYSA-N","24202881",NA,"PDBC40237","726150","Present"
-"N,4-Bis[(4-chlorophenyl)sulfanylmethyl]-N-methylaniline","","","","","","","","","","","","","","","","","","","","N,4-Bis[(4-chlorophenyl)sulfanylmethyl]-N-methylaniline","","CN(CSC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl","HMDDZKREVHHSDA-UHFFFAOYSA-N","259528",NA,"PDBC40238","89500","Present"
-"N,4-Dihydroxy-3-methoxybenzamide","","","","","","","","","","","","","","","","","","","","4-Hydroxy-3-methoxybenzohydroxamic acid","","COC1=C(C=CC(=C1)C(=O)NO)O","XLINSLFJJZQYSZ-UHFFFAOYSA-N","366893",NA,"PDBC40239","635953","Present"
-"N,4-Dimethyl-N'-(methylsulfamoyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N,4-Dimethyl-N'-(methylsulfamoyl)benzenesulfonohydrazide","","CC1=CC=C(C=C1)S(=O)(=O)N(C)NS(=O)(=O)NC","AJVCAULOJQXSCC-UHFFFAOYSA-N","367379",NA,"PDBC40240","637068","Present"
-"N,4-Diphenyl-N-(thiophene-2-carbonyl)piperidine-1-carboxamide","","","","","","","","","","","","","","","","","","","","LS-152969","","C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC=CS4","KUNKHTJECGCIBN-UHFFFAOYSA-N","391222",NA,"PDBC40241","690119","Present"
-"N,4-Diphenylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","N,4-Diphenylbenzenesulfinamide","","C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)NC3=CC=CC=C3","YNDGPJUAAJISNJ-UHFFFAOYSA-N","385383",NA,"PDBC40242","676557","Present"
-"N,4-Dipyridin-2-yl-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridinamine","","C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC=CC=N3","RYCUBTFYRLAMFA-UHFFFAOYSA-N","772885",NA,"PDBC40243","751858","Present"
-"N,5-Bis(4-chlorophenyl)-3-(isopentylimino)-3,5-dihydro-2-phenazinamine","","","","","","","","","","","","","","","","","","","","N,5-Bis(4-chlorophenyl)-3-(isopentylimino)-3,5-dihydro-2-phenazinamine","","CC(C)CCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl","ZQVZLQICYMOAMF-UHFFFAOYSA-N","362143",NA,"PDBC40244","625731","Present"
-"N,5-Bis(4-chlorophenyl)-5-cyano-4-oxopentanamide","","","","","","","","","","","","","","","","","","","","N,5-Bis(4-chlorophenyl)-5-cyano-4-oxopentanamide","","C1=CC(=CC=C1C(C#N)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl)Cl","RCMMWMXJJFCKHW-UHFFFAOYSA-N","360431",NA,"PDBC40245","622567","Present"
-"N,5-Dimethyl-6-oxo-N-phenyl-5,6-dihydro[1]benzothieno[2,3-c]quinoline-9-carboxamide","","","","","","","","","","","","","","","","","","","","N,5-Dimethyl-6-oxo-N-phenyl-5,6-dihydro[1]benzothieno[2,3-c]quinoline-9-carboxamide","","CN1C2=CC=CC=C2C3=C(C1=O)SC4=C3C=CC(=C4)C(=O)N(C)C5=CC=CC=C5","DCNWEJWIBYGELF-UHFFFAOYSA-N","391988",NA,"PDBC40246","691777","Present"
-"N,5-Diphenyl-1,3-oxazol-2-amine","","","","","","","","","","","","","","","","","","","","GW549390X","","C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=CC=C3","HFICAVMUTYFODG-UHFFFAOYSA-N","5329404",NA,"PDBC40247","756250","Present"
-"N,5]Furo[2,3-b]pyridine-3-carboxamid e","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl 6-Hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyri...","","CN(C)C(=O)C1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O","WJLZOWAUKSCGAK-UHFFFAOYSA-N","24204227",NA,"PDBC40248","731011","Present"
-"N,6-Dimethyl-2-(methylthio)-N-phenyl-4-pyrimidinamine","","","","","","","","","","","","","","","","","","","","N,6-Dimethyl-2-(methylthio)-N-phenyl-4-pyrimidinamine","","CC1=CC(=NC(=N1)SC)N(C)C2=CC=CC=C2","JXSLKLPKMIQFRT-UHFFFAOYSA-N","379591",NA,"PDBC40249","664282","Present"
-"N,7,8,9-Tetrahydro-5H-benzocyclohepten-5-on-6-yl)-methyl]methaniminium Iodide","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-N-[(6,7,8,9-tetrahydro-5H-benzocyclohepten-...","","C[N+](C)(C)CC1CCCC2=CC=CC=C2C1=O.[I-]","STQMFRHEZXRVHP-UHFFFAOYSA-M","378643",NA,"PDBC40250","661441","Present"
-"N,8-Dimethyl-9-oxo-N-phenyl-11,13-dithia-8-azatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,12(16),14-hexaene-14-carboxamide","","","","","","","","","","","","","","","","","","","","N,8-Dimethyl-9-oxo-N-phenyl-11,13-dithia-8-azatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,12(16),14-hexaene-14-carboxamide","","CN1C2=CC=CC=C2C3=C(C1=O)SC4=C3C=C(S4)C(=O)N(C)C5=CC=CC=C5","GNUINEACFTUSCO-UHFFFAOYSA-N","391989",NA,"PDBC40251","691778","Present"
-"N,9-Diamino-nonane Dihydrochloride Hydrate","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-methyl-6-methoxy-4-quinaldyl)-1,9-diamino- non...","","CC1=CC(=C2C=C(C=CC2=N1)OC)NCCCCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)OC.Cl","HEAPQBFYFAEGJE-UHFFFAOYSA-N","5351138",NA,"PDBC40252","10010","Present"
-"N,9-Nonanedicarboxamide dihydrochloride hydrate","","","","","","","","","","","","","","","","","","","","NSC634698","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","YTQDEPWBCMNGBQ-UHFFFAOYSA-N","366335",NA,"PDBC40253","634698","Present"
-"N,N' Bis{2-(4-phenylene)benzothiazole}thiourea","","","","","","","","","","","","","","","","","","","","N,N' Bis{2-(4-phenylene)benzothiazole}thiourea","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5","AYQKBIANCYLDQO-UHFFFAOYSA-N","24202657",NA,"PDBC40254","725661","Present"
-"N,N',N'',N'''-[Ethylenebis(nitrilobisethylene)]tetrakis(1,6-dihydro-1-hydroxy-6-oxopyridine-2-carboxamide)","","","","","","","","","","","","","","","","","","","","N-[2-[2-[Bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide","","C1=CC(=O)N(C(=C1)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCN(CCNC(=O)C3=CC=CC(=O)N3O)CCNC(=O)C4=CC=CC(=O)N4O)O","VBXZHFRWDLEBNC-UHFFFAOYSA-N","391975",NA,"PDBC40255","691697","Present"
-"N,N',N'',N''-Tetramethylmelamine","","","","","","","","","","","","","","","","","","","","N,N'-bis(Dimethylaminomethyl)-N,N',N"""",N""""-tetramethylmela...","","CN(C)CN(C)C1=NC(=NC(=N1)N(C)C)N(C)CN(C)C","SFXUGVWYUJKING-UHFFFAOYSA-N","375589",NA,"PDBC40256","655411","Present"
-"N,N',N,N'-[Methylenebis(diphenylphosphranetriyl)]bis(4,9-dioxo-2H-naphtho[2,3-d]triazol-2-amine)","","","","","","","","","","","","","","","","","","","","2-[[[(4,9-Dioxobenzo[f]benzotriazol-2-yl)imino-diphenyl-lambda5-phosphanyl]methyl-diphenyl-lambda5-phosphanylidene]amino]benzo[f]benzotriazole-4,9-dione","","C1=CC=C(C=C1)P(=NN2N=C3C(=N2)C(=O)C4=CC=CC=C4C3=O)(CP(=NN5N=C6C(=N5)C(=O)C7=CC=CC=C7C6=O)(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","NLVAVVSZOHSAIO-UHFFFAOYSA-N","397504",NA,"PDBC40257","705599","Present"
-"N,N'-(1,5-Dioxo-1,5-pentanediyl)bisglycine","","","","","","","","","","","","","","","","","","","","STL329136","","C(CC(=O)NCC(=O)O)CC(=O)NCC(=O)O","WOACFZHTODURQC-UHFFFAOYSA-N","361858",NA,"PDBC40258","625179","Present"
-"N,N'-1,3-Phenylenedimaleimide","","","","","","","","","","","","","","","","","","","","m-Dimaleimidobenzene","","C1=CC(=CC(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O","IPJGAEWUPXWFPL-UHFFFAOYSA-N","18156",NA,"PDBC40259","19639","Present"
-"N,N'-Bis((5-chloro-2-thienyl)carbonyl)-N,N'-dimethylthiourea","","","","","","","","","","","","","","","","","","","","N,N'-Bis((5-chloro-2-thienyl)carbonyl)-N,N'-dimethylthiourea","","CN(C(=O)C1=CC=C(S1)Cl)C(=S)N(C)C(=O)C2=CC=C(S2)Cl","LFXCHRWMTNVSEV-UHFFFAOYSA-N","379466",NA,"PDBC40260","664019","Present"
-"N,N'-Bis(1,1,4-trimethyl-2,3-pentadienyl)sulfamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis(1,1,4-trimethyl-2,3-pentadienyl)sulfamide","","CC(=C=CC(C)(C)NS(=O)(=O)NC(C)(C)C=C=C(C)C)C","AVJQDGUXAHQJPM-UHFFFAOYSA-N","380904",NA,"PDBC40261","666687","Present"
-"N,N'-Bis(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-2,6-dimethylpyridine-3,5-dicarboxamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-2,6-dimethylpyridine-3,5-dicarboxamide","","CC1=C(C=C(C(=N1)C)C(=O)NC2=CC=CC3=C2C(=O)NC3=O)C(=O)NC4=CC=CC5=C4C(=O)NC5=O","WYTKVPXXEUURGN-UHFFFAOYSA-N","368958",NA,"PDBC40262","640363","Present"
-"N,N'-Bis(1-methyl-4-phenyl-4-piperidylmethyl)sebacamide","","","","","","","","","","","","","","","","","","","","NSC664983","","CN1CCC(CC1)(CNC(=O)CCCCCCCCC(=O)NCC2(CCN(CC2)C)C3=CC=CC=C3)C4=CC=CC=C4","DMPYTENYPFANFS-UHFFFAOYSA-N","73039",NA,"PDBC40263","664983","Present"
-"N,N'-Bis(1-nitroacridin-9-yl)butane-1,4-diamine","","","","","","","","","","","","","","","","","","","","N,N'-Bis(1-nitroacridin-9-yl)butane-1,4-diamine","","C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]","FGUMIPRKPHUGLM-UHFFFAOYSA-N","391438",NA,"PDBC40264","690633","Present"
-"N,N'-Bis(10-methyl-9-sulfanylideneacridin-2-yl)hexanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis(10-methyl-9-sulfanylideneacridin-2-yl)hexanediamide","","CN1C2=C(C=C(C=C2)NC(=O)CCCCC(=O)NC3=CC4=C(C=C3)N(C5=CC=CC=C5C4=S)C)C(=S)C6=CC=CC=C61","ZPCLWFQGEAYZLM-UHFFFAOYSA-N","358246",NA,"PDBC40265","618168","Present"
-"N,N'-Bis(2,2'-dithiosalicyl)hydrazide","","","","","","","","","","","","","","","","","","","","RT-014053","","C1=CC=C2C(=C1)C(=O)NNC(=O)C3=CC=CC=C3SSC4=CC=CC=C4C(=O)NNC(=O)C5=CC=CC=C5SS2","ZFFCQXUXSGUXST-UHFFFAOYSA-N","397255",NA,"PDBC40266","704783","Present"
-"N,N'-Bis(2-hydroxy-5-methoxybenzylidene)propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N,N'-Bis(2-hydroxy-5-methoxybenzylidene)propane-1,3-diamine","","COC1=CC(=C(C=C1)O)C=NCCCN=CC2=C(C=CC(=C2)OC)O","IWNBWLOIIGKRFE-UHFFFAOYSA-N","403716",NA,"PDBC40267","718907","Present"
-"N,N'-Bis(2-hydroxyphenyl)propanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis(2-hydroxyphenyl)malonamide","","C1=CC=C(C(=C1)NC(=O)CC(=O)NC2=CC=CC=C2O)O","HFXZIXZPIABOKV-UHFFFAOYSA-N","366911",NA,"PDBC40268","635971","Present"
-"N,N'-Bis(2-mercaptobenzoyl)hydrazide","","","","","","","","","","","","","","","","","","","","ACM292615419","","C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2S)S","BCDWFVITTFIUNV-UHFFFAOYSA-N","397256",NA,"PDBC40269","704784","Present"
-"N,N'-Bis(3,4,5-trihydroxybenzoyl)thiourea","","","","","","","","","","","","","","","","","","","","N,N'-Bis(3,4,5-trihydroxybenzoyl)thiourea","","C1=C(C=C(C(=C1O)O)O)C(=O)NC(=S)NC(=O)C2=CC(=C(C(=C2)O)O)O","JSKUEHHZHVZOTD-UHFFFAOYSA-N","3005352",NA,"PDBC40270","694230","Present"
-"N,N'-Bis(3,4-dihydro-6-chloro-4-phenylquinazoline-2-yl)[2,2'-dithiobis[4-chloro-5-[(4-chlorophenylamino)carbonyl]benzenesulfonamide]]","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)su","","C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=N2)NS(=O)(=O)C4=C(C=C(C(=C4)C(=O)NC5=CC=C(C=C5)Cl)Cl)SSC6=C(C=C(C(=C6)Cl)C(=O)NC7=CC=C(C=C7)Cl)S(=O)(=O)NC8=NC(C9=C(N8)C=CC(=C9)Cl)C1=CC=CC=C1","AXIDRSVROYJDIL-UHFFFAOYSA-N","25077305",NA,"PDBC40271","704346","Present"
-"N,N'-Bis(3,4-dihydro-6-chloro-4-phenylquinazoline-2-yl)[2,2'-dithiobis[4-chloro-5-[(phenylamino)carbonyl]benzenesulfonamide]]","","","","","","","","","","","","","","","","","","","","2-Chloro-4-[[5-chloro-2-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]-N-phenylbenzamide","","C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=N2)NS(=O)(=O)C4=C(C=C(C(=C4)C(=O)NC5=CC=CC=C5)Cl)SSC6=C(C=C(C(=C6)Cl)C(=O)NC7=CC=CC=C7)S(=O)(=O)NC8=NC(C9=C(N8)C=CC(=C9)Cl)C1=CC=CC=C1","GCKLFWNZYAZILX-UHFFFAOYSA-N","25077304",NA,"PDBC40272","704345","Present"
-"N,N'-Bis(3-aminopropyl)-N,N'-bis(naphthalen-2-ylmethyl)butane-1,4-diamine;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","N,N'-Bis(3-aminopropyl)-N,N'-bis(naphthalen-2-ylmethyl)butane-1,4-diamine;2,2,2-trifluoroacetic acid","","C1=CC=C2C=C(C=CC2=C1)CN(CCCCN(CCCN)CC3=CC4=CC=CC=C4C=C3)CCCN.C(=O)(C(F)(F)F)O","UIJIOEKMPAXSIT-UHFFFAOYSA-N","389639",NA,"PDBC40273","685982","Present"
-"N,N'-Bis(3-methoxyacridin-9-yl)hexane-1,6-diamine","","","","","","","","","","","","","","","","","","","","1,6-Hexanediamine, N,N'-bis(3-methoxy-9-acridinyl)-","","COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NCCCCCCNC4=C5C=CC(=CC5=NC6=CC=CC=C64)OC","FLTPBXAPYZIIEV-UHFFFAOYSA-N","319095",NA,"PDBC40274","260610","Present"
-"N,N'-Bis(3-methoxyphenyl)propanediamide","","","","","","","","","","","","","","","","","","","","UVNQAMWXUYXORY-UHFFFAOYSA-N","","COC1=CC=CC(=C1)NC(=O)CC(=O)NC2=CC(=CC=C2)OC","UVNQAMWXUYXORY-UHFFFAOYSA-N","385918",NA,"PDBC40275","677380","Present"
-"N,N'-Bis(3-methoxypropyl)propanediamide","","","","","","","","","","","","","","","","","","","","SC-62738","","COCCCNC(=O)CC(=O)NCCCOC","UUWHWIHMIDHHNG-UHFFFAOYSA-N","364513",NA,"PDBC40276","630899","Present"
-"N,N'-Bis(3-nitrophenyl)isophthalamide","","","","","","","","","","","","","","","","","","","","N,N'-bis(3-Nitrophenyl)benzene-1,3-dicarboxamide","","C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","XNLJYGLAIAFHNG-UHFFFAOYSA-N","306548",NA,"PDBC40277","204232","Present"
-"N,N'-Bis(3-pyridinylmethyl)urea","","","","","","","","","","","","","","","","","","","","Z195664356","","C1=CC(=CN=C1)CNC(=O)NCC2=CN=CC=C2","MXEJJBGVOYQRDF-UHFFFAOYSA-N","170234",NA,"PDBC40278","704606","Present"
-"N,N'-Bis(4-acetamidophenyl)propanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis(4-acetamidophenyl)propanediamide","","CC(=O)NC1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)NC(=O)C","SFJBNQKETVVNBW-UHFFFAOYSA-N","385921",NA,"PDBC40279","677384","Present"
-"N,N'-Bis(4-amidinophenyl)homopiperazine","","","","","","","","","","","","","","","","","","","","N,N'-bis(4-amidinophenyl)homopiperazine","","C1CN(CCN(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl","QYEPSCYCZPVVGL-UHFFFAOYSA-N","24202882",NA,"PDBC40280","726151","Present"
-"N,N'-Bis(6-chloro-2-methoxyacridin-9-yl)ethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N1,N2-bis(6-chloro-2-methoxyacridin-9-yl)ethane-1,2-diamine","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC","HQVFBVTYAIBOSR-UHFFFAOYSA-N","242980",NA,"PDBC40281","403451","Present"
-"N,N'-Bis(7-chloroquinolin-4-yl)hexane-1,6-diamine","","","","","","","","","","","","","","","","","","","","Quinoline-4-amine, N,N'-1,6-hexanediylbis[6-chloro-, dih...","","C1=CC2=C(C=CN=C2C=C1Cl)NCCCCCCNC3=C4C=CC(=CC4=NC=C3)Cl","HHWIMTYEHYWKEK-UHFFFAOYSA-N","434361",NA,"PDBC40282","349051","Present"
-"N,N'-Bis(9-acridinyl)-1,6-hexanediamine","","","","","","","","","","","","","","","","","","","","n,n'-di-9-acridinyl-1,6-hexanediamine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64","FZSBSJDISGQMLW-UHFFFAOYSA-N","42875",NA,"PDBC40283","219733","Present"
-"N,N'-Bis(benzenesulfonyl)-2,3-dibenzylbutanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis(benzenesulfonyl)-2,3-dibenzylbutanediamide","","C1=CC=C(C=C1)CC(C(CC2=CC=CC=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3)C(=O)NS(=O)(=O)C4=CC=CC=C4","FNGHESYBRQHYBD-UHFFFAOYSA-N","357761",NA,"PDBC40284","617284","Present"
-"N,N'-Bis(diaminomethylideneamino)nonanediamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC635559","","C(CCCC(=O)NN=C(N)N)CCCC(=O)NN=C(N)N.Cl","NCKYTKCCGVYOLZ-UHFFFAOYSA-N","366785",NA,"PDBC40285","635559","Present"
-"N,N'-Bis(naphthalen-1-ylmethyl)dodecane-1,12-diamine","","","","","","","","","","","","","","","","","","","","N,N'-Bis(naphthalen-1-ylmethyl)dodecane-1,12-diamine","","C1=CC=C2C(=C1)C=CC=C2CNCCCCCCCCCCCCNCC3=CC=CC4=CC=CC=C43","OEXYPCKYSZKKFX-UHFFFAOYSA-N","364093",NA,"PDBC40286","629734","Present"
-"N,N'-Bis(naphthalen-1-ylmethyl)hexane-1,6-diamine","","","","","","","","","","","","","","","","","","","","N,N'-Bis(naphthalen-1-ylmethyl)hexane-1,6-diamine","","C1=CC=C2C(=C1)C=CC=C2CNCCCCCCNCC3=CC=CC4=CC=CC=C43","UNKKTPGRGYVYID-UHFFFAOYSA-N","364091",NA,"PDBC40287","629732","Present"
-"N,N'-Bis(naphtho[1,2-b]quinolin-9-yl)butane-1,4-diamine","","","","","","","","","","","","","","","","","","","","N,N'-Bis(naphtho[1,2-b]quinolin-9-yl)butane-1,4-diamine","","C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC(=C4)NCCCCNC5=CC6=C(C=C5)N=C7C(=C6)C=CC8=CC=CC=C87)N=C32","WTFZDIIBNGNKSR-UHFFFAOYSA-N","315508",NA,"PDBC40288","240800","Present"
-"N,N'-Bis(salicylidene)-1,2-phenylenediamine","","","","","","","","","","","","","","","","","","","","NSC650732","","C1=CC=C(C(=C1)C=NC2=CC=CC=C2N=CC3=CC=CC=C3O)O","HXFYGSOGECBSOY-UHFFFAOYSA-N","221227",NA,"PDBC40289","650732","Present"
-"N,N'-Bis(salicylideneamino)oxamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis(salicylideneamino)oxamide","","C1=CC=C(C(=C1)C=NNC(=O)C(=O)NN=CC2=CC=CC=C2O)O","PUMOTLVCXKMSQH-XFQWXJFMSA-N","135408610",NA,"PDBC40290","53327","Present"
-"N,N'-Bis-(4-sulfamoyl-phenyl)-malonamide","","","","","","","","","","","","","","","","","","","","NE12664","","C1=CC(=CC=C1NC(=O)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N","UAQJTBSUHBZPRH-UHFFFAOYSA-N","361072",NA,"PDBC40291","623876","Present"
-"N,N'-Bis-pyridin-3-ylmethyl-oxalamide","","","","","","","","","","","","","","","","","","","","STK116989","","C1=CC(=CN=C1)CNC(=O)C(=O)NCC2=CN=CC=C2","BNXGAGLVOASELG-UHFFFAOYSA-N","397198",NA,"PDBC40292","704607","Present"
-"N,N'-Bis[(1-tert-butylaziridin-2-yl)methyl]oxamide","","","","","","","","","","","","","","","","","","","","Ethanediamide, N,N'-bis[[1-(1,1-dimethylethyl)-2-aziridi...","","CC(C)(C)N1CC1CNC(=O)C(=O)NCC2CN2C(C)(C)C","NCZAFBKFSHVMFZ-UHFFFAOYSA-N","326600",NA,"PDBC40293","298276","Present"
-"N,N'-Bis[(6-methoxynaphthalen-2-yl)methyl]dodecane-1,12-diamine","","","","","","","","","","","","","","","","","","","","N,N'-Bis[(6-methoxynaphthalen-2-yl)methyl]dodecane-1,12-diamine","","COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCCCCCCCNCC3=CC4=C(C=C3)C=C(C=C4)OC","ZNDGZRDNIFCTTD-UHFFFAOYSA-N","385313",NA,"PDBC40294","676428","Present"
-"N,N'-Bis[(6-methoxynaphthalen-2-yl)methyl]octane-1,8-diamine","","","","","","","","","","","","","","","","","","","","N,N'-Bis[(6-methoxynaphthalen-2-yl)methyl]octane-1,8-diamine","","COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCCCNCC3=CC4=C(C=C3)C=C(C=C4)OC","CQYQMNUUDDGFPQ-UHFFFAOYSA-N","385312",NA,"PDBC40295","676427","Present"
-"N,N'-Bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]butanediamide","","","","","","","","","","","","","","","","","","","","Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.al...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)CCC(=O)NN=C(C)C6(CC(C7=C(C6)C(=C8C(=C7O)C(=O)C9=C(C8=O)C=CC=C9OC)O)OC1CC(C(C(O1)C)O)N)O)C)O)N)O","ACPOUBCJPBQMFD-BCNBNTECSA-N","9573613",NA,"PDBC40296","266210","Present"
-"N,N'-Bis[(Z)-(2-chlorophenyl)methylideneamino]hexanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[(Z)-(2-chlorophenyl)methylideneamino]hexanediamide","","C1=CC=C(C(=C1)C=NNC(=O)CCCCC(=O)NN=CC2=CC=CC=C2Cl)Cl","VMTCNNITCITFOD-GACBQCINSA-N","5539412",NA,"PDBC40297","49502","Present"
-"N,N'-Bis[(Z)-(2-hydroxyphenyl)methylideneamino]decanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[(Z)-(2-hydroxyphenyl)methylideneamino]decanediamide","","C1=CC=C(C(=C1)C=NNC(=O)CCCCCCCCC(=O)NN=CC2=CC=CC=C2O)O","FAGCLRMEOSNCKD-MFYXSQMNSA-N","135408549",NA,"PDBC40298","49488","Present"
-"N,N'-Bis[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide","","C1=C(OC(=C1)[N+](=O)[O-])C=CC=NNC(=O)C(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-]","PEJCPYNDRBAGFF-BOCWCJRTSA-N","9572307",NA,"PDBC40299","710917","Present"
-"N,N'-Bis[2-(2-diethylaminoethylcarbamoyl)phenyl]oxamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[2-(2-diethylaminoethylcarbamoyl)phenyl]oxamide","","CCN(CC)CCNC(=O)C1=CC=CC=C1NC(=O)C(=O)NC2=CC=CC=C2C(=O)NCCN(CC)CC","PKJPFDIICKPNII-UHFFFAOYSA-N","369397",NA,"PDBC40300","641162","Present"
-"N,N'-Bis[2-(tritylamino)cyclohexyl]oxamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[2-(tritylamino)cyclohexyl]oxamide","","C1CCC(C(C1)NC(=O)C(=O)NC2CCCCC2NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","RFKDBORJIKLFCM-UHFFFAOYSA-N","384592",NA,"PDBC40301","674604","Present"
-"N,N'-Bis[3-(2-nitroimidazol-1-yl)propyl]oxamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[3-(2-nitroimidazol-1-yl)propyl]oxamide","","C1=CN(C(=N1)[N+](=O)[O-])CCCNC(=O)C(=O)NCCCN2C=CN=C2[N+](=O)[O-]","AMJDUAYPEPOJCQ-UHFFFAOYSA-N","372048",NA,"PDBC40302","646862","Present"
-"N,N'-Bis[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","1,4-Butanediamine, N,N'-bis[3-[(phenylmethyl)amino]propy...","","C1=CC=C(C=C1)CNCCCNCCCCNCCCNCC2=CC=CC=C2.C(=O)(C(F)(F)F)O","AJXUHBKICMWXIU-UHFFFAOYSA-N","391190",NA,"PDBC40303","690024","Present"
-"N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]butanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]butanediamide","","CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C","FDHSMUSOBSHUJT-UHFFFAOYSA-N","393126",NA,"PDBC40304","694524","Present"
-"N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]decanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]decanediamide","","CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCCCCCCCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C","HSLKXZLZJFDIRY-UHFFFAOYSA-N","393129",NA,"PDBC40305","694527","Present"
-"N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]hexanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]hexanediamide","","CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCCCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C","IXCLOLJWTHJUCC-UHFFFAOYSA-N","393128",NA,"PDBC40306","694526","Present"
-"N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]pentanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]pentanediamide","","CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C","MXOFKDCWHWRLIS-UHFFFAOYSA-N","393127",NA,"PDBC40307","694525","Present"
-"N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]butanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]butanediamide","","CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=O)C1)C5=CC=C(C=C5)NC(=O)CCC(=O)NC6=CC=C(C=C6)C7=C8C(=NC9=C7C1=CC=CC=C1C=C9)CC(CC8=O)(C)C)C","YYPFOFNUUKUAPQ-UHFFFAOYSA-N","393130",NA,"PDBC40308","694528","Present"
-"N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]decanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]decanediamide","","CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=O)C1)C5=CC=C(C=C5)NC(=O)CCCCCCCCC(=O)NC6=CC=C(C=C6)C7=C8C(=NC9=C7C1=CC=CC=C1C=C9)CC(CC8=O)(C)C)C","JSSNKFQDVIDPPN-UHFFFAOYSA-N","392581",NA,"PDBC40309","693128","Present"
-"N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]hexanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]hexanediamide","","CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=O)C1)C5=CC=C(C=C5)NC(=O)CCCCC(=O)NC6=CC=C(C=C6)C7=C8C(=NC9=C7C1=CC=CC=C1C=C9)CC(CC8=O)(C)C)C","OXOKNGNQZUPPHZ-UHFFFAOYSA-N","392580",NA,"PDBC40310","693127","Present"
-"N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]pentanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]pentanediamide","","CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=O)C1)C5=CC=C(C=C5)NC(=O)CCCC(=O)NC6=CC=C(C=C6)C7=C8C(=NC9=C7C1=CC=CC=C1C=C9)CC(CC8=O)(C)C)C","VFCXWZLOHQJNJB-UHFFFAOYSA-N","392579",NA,"PDBC40311","693126","Present"
-"N,N'-Bis[4-(N-2-hydroxyethylamidino)phenyl]homopiperazine","","","","","","","","","","","","","","","","","","","","N,N'-bis[4-(N-2-hydroxyethylamidino)phenyl]homopiperazine","","C1CN(CCN(C1)C2=CC=C(C=C2)C(=NCCO)N)C3=CC=C(C=C3)C(=NCCO)N.Cl","NTKBWCANQAFQLJ-UHFFFAOYSA-N","24202880",NA,"PDBC40312","726149","Present"
-"N,N'-Bis[4-(N-butylamidino)phenyl}homopiperazine","","","","","","","","","","","","","","","","","","","","N,N'-bis[4-(N-butylamidino)phenyl}homopiperazine","","CCCCN=C(C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=NCCCC)N)N.Cl","QTLPFZKRWQGPBK-UHFFFAOYSA-N","24202879",NA,"PDBC40313","726148","Present"
-"N,N'-Bis[5-[(E)-3-[4-[(E)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]decanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[5-[(E)-3-[4-[(E)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]decanediamide","","CC1=C(SC(=N1)N)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C3=C(N=C(S3)NC(=O)CCCCCCCCC(=O)NC4=NC(=C(S4)C(=O)C=CC5=CC=C(C=C5)C=CC(=O)C6=C(N=C(S6)N)C)C)C","MBHOKZRKWPPWNL-OBCUGYALSA-N","6302566",NA,"PDBC40314","640552","Present"
-"N,N'-Bis[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]heptanediamide;hydrochloride","","","","","","","","","","","","","","","","","","","","Heptanediamide, N,N-bis[5-[[5-[[[(3-amino-3-iminopropyl)...","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","KNGMZANABDBAFE-UHFFFAOYSA-N","365749",NA,"PDBC40315","633769","Present"
-"N,N'-Dehydrofuroascorbil-diasparagin","","","","","","","","","","","","","","","","","","","","N,N'-dehydrofuroascorbil-diasparagin","","C(C(C(=O)O)N=C1C(OC(=O)C1=NC(CC(=O)N)C(=O)O)C(CO)O)C(=O)N","HBRWMSYDSPIVOQ-UHFFFAOYSA-N","381653",NA,"PDBC40316","668472","Present"
-"N,N'-Di(1H-indazol-6-yl)thiourea","","","","","","","","","","","","","","","","","","","","WT922UDA9S","","C1=CC2=C(C=C1NC(=S)NC3=CC4=C(C=C3)C=NN4)NN=C2","OTJWJLLGPAFTIP-UHFFFAOYSA-N","3003797",NA,"PDBC40317","74429","Present"
-"N,N'-Di(9H-fluoren-2-yl)thiourea","","","","","","","","","","","","","","","","","","","","N,N'-Di(9H-fluoren-2-yl)thiourea","","C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=S)NC4=CC5=C(C=C4)C6=CC=CC=C6C5","OXZQLIONCTZVIC-UHFFFAOYSA-N","3246089",NA,"PDBC40318","23217","Present"
-"N,N'-Di-(m-trifluoromethylphenyl)urea","","","","","","","","","","","","","","","","","","","","NSC19469","","C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F","ASUCRFVOBIZQSN-UHFFFAOYSA-N","136250",NA,"PDBC40319","19469","Present"
-"N,N'-Dibenzyl-N''-cyano-N,N'-dimethylguanidine","","","","","","","","","","","","","","","","","","","","N,N'-Dibenzyl-N''-cyano-N,N'-dimethylguanidine","","CN(CC1=CC=CC=C1)C(=NC#N)N(C)CC2=CC=CC=C2","WQZAFTNLLPOSPU-UHFFFAOYSA-N","373928",NA,"PDBC40320","650957","Present"
-"N,N'-Dibenzyl-N''-cyanoguanidine","","","","","","","","","","","","","","","","","","","","J3.542.983B","","C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)NC#N","PTFWGFJDEBNFNZ-UHFFFAOYSA-N","370388",NA,"PDBC40321","643482","Present"
-"N,N'-Dicarbamoyl-2-[(4-methoxyphenyl)sulfonylamino]pentanediamide","","","","","","","","","","","","","","","","","","","","N,N'-Dicarbamoyl-2-[(4-methoxyphenyl)sulfonylamino]pentanediamide","","COC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NC(=O)N)C(=O)NC(=O)N","BIFRJYHHRCARRT-UHFFFAOYSA-N","393739",NA,"PDBC40322","696264","Present"
-"N,N'-Diethyl-N,N'-bis(3-phenoxypropyl)ethane-1,2-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-Diethyl-N,N'-bis(3-phenoxypropyl)ethane-1,2-diamine;hydrochloride","","CCN(CCCOC1=CC=CC=C1)CCN(CC)CCCOC2=CC=CC=C2.Cl","QXEYGJJCGYRKGJ-UHFFFAOYSA-N","54609242",NA,"PDBC40323","34060","Present"
-"N,N'-Diethylbut-2-ynediamide","","","","","","","","","","","","","","","","","","","","N,N'-Diethylbut-2-ynediamide","","CCNC(=O)C#CC(=O)NCC","AAHUADQYRSMRMP-UHFFFAOYSA-N","315402",NA,"PDBC40324","240574","Present"
-"N,N'-Diethylquinoxaline-2,3-diamine","","","","","","","","","","","","","","","","","","","","UYTGGRJPWFSBEV-UHFFFAOYSA-N","","CCNC1=NC2=CC=CC=C2N=C1NCC","UYTGGRJPWFSBEV-UHFFFAOYSA-N","105206",NA,"PDBC40325","667754","Present"
-"N,N'-Dimethyl-N,N'-bis[(methylamino)carbonyl]phthalamide","","","","","","","","","","","","","","","","","","","","N,N'-Dimethyl-N,N'-bis[(methylamino)carbonyl]phthalamide","","CNC(=O)N(C)C(=O)C1=CC=CC=C1C(=O)N(C)C(=O)NC","ODOOSHVRADBELF-UHFFFAOYSA-N","379465",NA,"PDBC40326","664018","Present"
-"N,N'-Dimethylbenzenecarboximidamide monohydrochloride","","","","","","","","","","","","","","","","","","","","NSC624720","","CN(C)C(=N)C1=CC=CC=C1.Cl","LKHQYAGJWCLEGG-UHFFFAOYSA-N","361539",NA,"PDBC40327","624720","Present"
-"N,N'-Dinaphthalen-1-ylhexane-1,6-diamine;hydrobromide","","","","","","","","","","","","","","","","","","","","N,N'-Dinaphthalen-1-ylhexane-1,6-diamine;hydrobromide","","C1=CC=C2C(=C1)C=CC=C2NCCCCCCNC3=CC=CC4=CC=CC=C43.Br","MMVIZYIAUGOENZ-UHFFFAOYSA-N","368360",NA,"PDBC40328","639219","Present"
-"N,N'-Dinaphthalen-1-yloctane-1,8-diamine;hydrobromide","","","","","","","","","","","","","","","","","","","","N,N'-Dinaphthalen-1-yloctane-1,8-diamine;hydrobromide","","C1=CC=C2C(=C1)C=CC=C2NCCCCCCCCNC3=CC=CC4=CC=CC=C43.Br","LQPHAGZSBMMERP-UHFFFAOYSA-N","368362",NA,"PDBC40329","639220","Present"
-"N,N'-Diphenyl-1-piperidinecarboximidamide","","","","","","","","","","","","","","","","","","","","N,N'-diphenylpiperidine-1-carboxamidine","","C1CCN(CC1)C(=NC2=CC=CC=C2)NC3=CC=CC=C3","FHRHTIRYKDDYTN-UHFFFAOYSA-N","383076",NA,"PDBC40330","671120","Present"
-"N,N'-Diphenyl-1-pyrrolidinecarboximidamide","","","","","","","","","","","","","","","","","","","","N,N'-Diphenyl-1-pyrrolidinecarboxamidine","","C1CCN(C1)C(=NC2=CC=CC=C2)NC3=CC=CC=C3","XMXWLLDKUUAUOS-UHFFFAOYSA-N","383073",NA,"PDBC40331","671117","Present"
-"N,N'-Diphenyl-2-(tosylamino)pentanediamide","","","","","","","","","","","","","","","","","","","","NSC779400","","CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3","XLALRUIHDDSPFR-UHFFFAOYSA-N","101453891",NA,"PDBC40332","779400","Present"
-"N,N'-Diphenyl-N-(2-(1-piperidinyl)ethyl)-1-piperidinecarboximidamide","","","","","","","","","","","","","","","","","","","","N,N'-Diphenyl-N-(2-(1-piperidinyl)ethyl)-1-piperidinecarboximidamide","","C1CCN(CC1)CCN(C2=CC=CC=C2)C(=NC3=CC=CC=C3)N4CCCCC4","QROILWHRZVWZOH-UHFFFAOYSA-N","383077",NA,"PDBC40333","671121","Present"
-"N,N'-Diphenyl-N-(2-(1-pyrrolidinyl)ethyl)-1-pyrrolidinecarboximidamide","","","","","","","","","","","","","","","","","","","","N,N'-Diphenyl-N-(2-(1-pyrrolidinyl)ethyl)-1-pyrrolidinecarboximidamide","","C1CCN(C1)CCN(C2=CC=CC=C2)C(=NC3=CC=CC=C3)N4CCCC4","CXTDIZWTRIBIJF-UHFFFAOYSA-N","383074",NA,"PDBC40334","671118","Present"
-"N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido-3-propionamidine)-4-pyrrole]-4-pyrrolyl}urea dihydrochloride","","","","","","","","","","","","","","","","","","","","N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido-3-propionamid...","","CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","ASGVIVFQQXVHKJ-UHFFFAOYSA-N","365166",NA,"PDBC40335","632329","Present"
-"N,N'-Ethylenebis[(2S,3S)-2-(3-methoxy-5-methyl-1-naphthylcarbonyloxy)-3-methyl-3,4-epoxybutanamide]","","","","","","","","","","","","","","","","","","","","[(1S)-2-[2-[[(2S)-2-(3-Methoxy-5-methylnaphthalene-1-carbonyl)oxy-2-[(2S)-2-methyloxiran-2-yl]acetyl]amino]ethylamino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxyl","","CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)NCCNC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC)C6(CO6)C)OC","NNVBHTAJXNZXMX-RGXXHLTKSA-N","10484730",NA,"PDBC40336","732221","Present"
-"N,N'-Iminobis(dipropylenedistearamide)","","","","","","","","","","","","","","","","","","","","N,N'-Iminobis(dipropylenedistearamide)","","CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCCCCCCCCCCC","VVCMLFGVBUXGEC-UHFFFAOYSA-N","84145",NA,"PDBC40337","647761","Present"
-"N,N'-Methylenebisacrylamide","","","","","","","","","","","","","","","","","","","","methylenediacrylamide","","C=CC(=O)NCNC(=O)C=C","ZIUHHBKFKCYYJD-UHFFFAOYSA-N","8041",NA,"PDBC40338","7774","Present"
-"N,N'-Tetramethylenebis[(2S,3S)-2-(3-methoxy-5-methyl-1-naphthylcarbonyloxy)-3-methyl-3,4-epoxybutanamide]","","","","","","","","","","","","","","","","","","","","[(1S)-2-[4-[[(2S)-2-(3-Methoxy-5-methylnaphthalene-1-carbonyl)oxy-2-[(2S)-2-methyloxiran-2-yl]acetyl]amino]butylamino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxyl","","CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)NCCCCNC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC)C6(CO6)C)OC","VPBWFDPWZNDXIZ-HVPIWBAOSA-N","9987363",NA,"PDBC40339","732224","Present"
-"N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-1H-benzo[g]indole-3-carbothioamide)","","","","","","","","","","","","","","","","","","","","1-Methyl-N-[2-[methyl-[2-[(1-methylbenzo[g]indole-3-carbothioyl)amino]ethyl]amino]ethyl]benzo[g]indole-3-carbothioamide","","CN1C=C(C2=C1C3=CC=CC=C3C=C2)C(=S)NCCN(C)CCNC(=S)C4=CN(C5=C4C=CC6=CC=CC=C65)C","ZWGPMGUNYKQDAJ-UHFFFAOYSA-N","5470705",NA,"PDBC40340","704623","Present"
-"N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-7,8-dichloro-1H-benzo[g]indole-3-carboxamide)","","","","","","","","","","","","","","","","","","","","7,8-Dichloro-N-[2-[2-[(7,8-dichloro-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide","","CN1C=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=CC(=C(C=C65)Cl)Cl)C","NSLADDNPUPFIFG-UHFFFAOYSA-N","397208",NA,"PDBC40341","704617","Present"
-"N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-7-chloro-1H-benzo[g]indole-3-carboxamide)","","","","","","","","","","","","","","","","","","","","7-Chloro-N-[2-[2-[(7-chloro-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide","","CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)Cl)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)Cl)C","LBAOWDSPSUKVTH-UHFFFAOYSA-N","397209",NA,"PDBC40342","704618","Present"
-"N,N'-[(Methylimino)bis(ethylene)]bis(1H-benzo[g]indole-3-carboxamide)","","","","","","","","","","","","","","","","","","","","N-[2-[2-(1H-Benzo[g]indole-3-carbonylamino)ethyl-methylamino]ethyl]-1H-benzo[g]indole-3-carboxamide","","CN(CCNC(=O)C1=CNC2=C1C=CC3=CC=CC=C32)CCNC(=O)C4=CNC5=C4C=CC6=CC=CC=C65","VROFFYZWONRMLJ-UHFFFAOYSA-N","397214",NA,"PDBC40343","704622","Present"
-"N,N'-[(Methylimino)bis(trimethylene)]bis(1-methyl-7,8-dichloro-1H-benzo[g]indole-3-carboxamide)","","","","","","","","","","","","","","","","","","","","7,8-Dichloro-N-[3-[3-[(7,8-dichloro-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide","","CN1C=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=CC(=C(C=C65)Cl)Cl)C","VTQLOYRNRAXPSC-UHFFFAOYSA-N","397210",NA,"PDBC40344","704619","Present"
-"N,N'-[(Methylimino)bis(trimethylene)]bis(1-methyl-7-chloro-1H-benzo[g]indole-3-carboxamide)","","","","","","","","","","","","","","","","","","","","7-Chloro-N-[3-[3-[(7-chloro-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide","","CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)Cl)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)Cl)C","KTJVFVRZIVEWKI-UHFFFAOYSA-N","397211",NA,"PDBC40345","704620","Present"
-"N,N'-[2-(Propylamino)-1,3,5-triazine-4,6-diyl]bis(N-methylhydroxylamine)","","","","","","","","","","","","","","","","","","","","N-[4-[Hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine","","CCCNC1=NC(=NC(=N1)N(C)O)N(C)O","AEWJTONYWGPPAK-UHFFFAOYSA-N","45029482",NA,"PDBC40346","746928","Present"
-"N,N'-[Methylenebis(3-chloro-2,6-diethyl-4,1-phenylene)]bis(2-oxo-3-pyridin-2-ylpropanamide)","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-4-[[2-chloro-3,5-diethyl-4-[(2-oxo-3-pyridin-2-ylpropanoyl)amino]phenyl]methyl]-2,6-diethylphenyl]-2-oxo-3-pyridin-2-ylpropanamide","","CCC1=CC(=C(C(=C1NC(=O)C(=O)CC2=CC=CC=N2)CC)Cl)CC3=C(C(=C(C(=C3)CC)NC(=O)C(=O)CC4=CC=CC=N4)CC)Cl","XFCGQEHMNNSBFE-UHFFFAOYSA-N","371959",NA,"PDBC40347","646776","Present"
-"N,N'-[Methylmalonylbis(iminoethylene)]bis[3-(methylhydroxycarbamoyl)propionamide]","","","","","","","","","","","","","","","","","","","","N,N'-Bis[2-[[4-[hydroxy(methyl)amino]-4-oxo-butanoyl]amino]ethyl]-2-methyl-propanediamide","","CC(C(=O)NCCNC(=O)CCC(=O)N(C)O)C(=O)NCCNC(=O)CCC(=O)N(C)O","MVAQFOOXCOWIJN-UHFFFAOYSA-N","396682",NA,"PDBC40348","703196","Present"
-"N,N'-diacetyl-p-menthane-1,8-diamine","","","","","","","","","","","","","","","","","","","","N,N'-diacetyl-p-menthane-1,8-diamine","","CC(=O)NC1(CCC(CC1)C(C)(C)NC(=O)C)C","ILYZGQDVDLMPJH-UHFFFAOYSA-N","379925",NA,"PDBC40349","665117","Present"
-"N,N,1-Tribenzyl-4,5-dihydro-1H-1,2,4-triazol-5-amine","","","","","","","","","","","","","","","","","","","","N,N,1-Tribenzyl-4,5-dihydro-1H-1,2,4-triazol-5-amine","","C1=CC=C(C=C1)CN2C(N=CN2)N(CC3=CC=CC=C3)CC4=CC=CC=C4","RFQIXRTUPCUJNK-UHFFFAOYSA-N","369338",NA,"PDBC40350","641093","Present"
-"N,N,1-Triisopropyl-4,4-dimethyl-3-((4-methylphenyl)thio)-1,2-azaphosphetidin-2-amine 2-oxide","","","","","","","","","","","","","","","","","","","","N,N,1-Triisopropyl-4,4-dimethyl-3-((4-methylphenyl)thio)-1,2-azaphosphetidin-2-amine 2-oxide","","CC1=CC=C(C=C1)SC2C(N(P2(=O)N(C(C)C)C(C)C)C(C)C)(C)C","UGPRJFCMTJTWIQ-UHFFFAOYSA-N","369407",NA,"PDBC40351","641177","Present"
-"N,N,2-Trimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-amine","","","","","","","","","","","","","","","","","","","","N,N,2-Trimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-amine","","CC1=C2C=CC=C2C(=CC3=C1NC4=CC=CC=C43)N(C)C","XDGBBAWNKTVSFH-UHFFFAOYSA-N","403544",NA,"PDBC40352","718564","Present"
-"N,N,5,11,12-Pentamethyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine","","","","","","","","","","","","","","","","","","","","N,N,5,11,12-Pentamethyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine","","CC1=C(OC2=C1C3=NN=C(N3C(=N2)N(C)C)C)C","XSYRNIFBACYNGE-UHFFFAOYSA-N","389703",NA,"PDBC40353","686269","Present"
-"N,N,5-Triisopropyl-2-methyl-1,3-oxazol-4-amine","","","","","","","","","","","","","","","","","","","","N,N,5-Triisopropyl-2-methyl-1,3-oxazol-4-amine","","CC1=NC(=C(O1)C(C)C)N(C(C)C)C(C)C","HOYWZYAVWHZQRU-UHFFFAOYSA-N","384233",NA,"PDBC40354","673649","Present"
-"N,N,5-Trimethyl-11,12-diphenyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine","","","","","","","","","","","","","","","","","","","","N,N,5-Trimethyl-11,12-diphenyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine","","CC1=NN=C2N1C(=NC3=C2C(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)N(C)C","LTVYECPXBFJLFD-UHFFFAOYSA-N","389708",NA,"PDBC40355","686274","Present"
-"N,N,8,9-Tetramethylfuro[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine","","","","","","","","","","","","","","","","","","","","N,N,11,12-Tetramethyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine","","CC1=C(OC2=C1C3=NN=CN3C(=N2)N(C)C)C","MTIRHKFYNJKESN-UHFFFAOYSA-N","389702",NA,"PDBC40356","686268","Present"
-"N,N,8,9-Tetramethylfuro[3,2-e]tetraazolo[1,5-c]pyrimidin-5-amine","","","","","","","","","","","","","","","","","","","","N,N,11,12-Tetramethyl-10-oxa-3,4,5,6,8-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine","","CC1=C(OC2=C1C3=NN=NN3C(=N2)N(C)C)C","PUJQJRIFMVCBNG-UHFFFAOYSA-N","389704",NA,"PDBC40357","686270","Present"
-"N,N,8-Trimethyl-2,2-dioxo-3,4,5,6-tetrahydrooxathiino[6,5-f]quinazolin-4-amine","","","","","","","","","","","","","","","","","","","","N,N,8-Trimethyl-2,2-dioxo-3,4,5,6-tetrahydrooxathiino[6,5-f]quinazolin-4-amine","","CC1=NC=C2C(=N1)CCC3=C2OS(=O)(=O)CC3N(C)C","MLRSHYZTTJSULQ-UHFFFAOYSA-N","360320",NA,"PDBC40358","622367","Present"
-"N,N,N',N'-Tetraethyl-P-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)phosphonic diamide","","","","","","","","","","","","","","","","","","","","N-[Diethylamino(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)phosphoryl]-N-ethylethanamine","","CCN(CC)P(=O)(C1=CC2=C(C=C1)OCCOCCOCCOCCO2)N(CC)CC","SBHABJMCIAKPBX-UHFFFAOYSA-N","376525",NA,"PDBC40359","657484","Present"
-"N,N,N',N'-Tetrakis[(3,5-dimethylpyrazol-1-yl)methyl]-1,4-phenylenediamine","","","","","","","","","","","","","","","","","","","","N1,N1,N4,N4-tetrakis[(3,5-dimethyl-1H-pyrazol-1-yl)methy...","","CC1=CC(=NN1CN(CN2C(=CC(=N2)C)C)C3=CC=C(C=C3)N(CN4C(=CC(=N4)C)C)CN5C(=CC(=N5)C)C)C","ARQPHUPIKSIMCD-UHFFFAOYSA-N","404575",NA,"PDBC40360","720888","Present"
-"N,N,N',N'-Tetrakis[(6-methyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N,N,N',N'-tetrakis[(6-methyl-1H-benzimidazol-2-yl)methyl...","","CC1=CC2=C(C=C1)N=C(N2)CN(CCN(CC3=NC4=C(N3)C=C(C=C4)C)CC5=NC6=C(N5)C=C(C=C6)C)CC7=NC8=C(N7)C=C(C=C8)C","KZOLQEUQAFTQFM-UHFFFAOYSA-N","335974",NA,"PDBC40361","348884","Present"
-"N,N,N',N'-Tetramethyl-1-(2,3,4,5-tetrabromocyclopenta-2,4-dien-1-ylidene)methanediamine","","","","","","","","","","","","","","","","","","","","N,N,N',N'-Tetramethyl-1-(2,3,4,5-tetrabromocyclopenta-2,4-dien-1-ylidene)methanediamine","","CN(C)C(=C1C(=C(C(=C1Br)Br)Br)Br)N(C)C","FFQYSXUVLNCKCM-UHFFFAOYSA-N","361642",NA,"PDBC40362","624860","Present"
-"N,N,N',N'-Tetramethylethylenediamine-mono(carboxyborane)","","","","","","","","","","","","","","","","","","","","N,N,N',N'-Tetramethylethylenediamine-mono(carboxyborane)","","","","",NA,"PDBC40363","680212","Present"
-"N,N,N'-Tribenzyl-N''-cyano-N'-methylguanidine","","","","","","","","","","","","","","","","","","","","N,N,N'-Tribenzyl-N''-cyano-N'-methylguanidine","","CN(CC1=CC=CC=C1)C(=NC#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3","XCVSKDUDNCCTOI-UHFFFAOYSA-N","373932",NA,"PDBC40364","650960","Present"
-"N,N,N'-Tribenzyl-N''-cyanoguanidine","","","","","","","","","","","","","","","","","","","","N,N,N'-Tribenzyl-N''-cyanoguanidine","","C1=CC=C(C=C1)CN=C(NC#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3","QIUMPXSUTHDEIG-UHFFFAOYSA-N","373918",NA,"PDBC40365","650948","Present"
-"N,N,N-Trimethyl(2,3,4,6-tetramethylphenyl)methanaminium chloride","","","","","","","","","","","","","","","","","","","","TRIMETHYL-(2,3,4,6-TETRAMETHYLBENZYL)-AMMONIUM CHLORIDE","","CC1=CC(=C(C(=C1C)C)C[N+](C)(C)C)C.[Cl-]","FKOBRGCOCFTSPZ-UHFFFAOYSA-M","24180730",NA,"PDBC40366","112","Present"
-"N,N,N-Trimethyl-2-((2E)-2-{[3-nitro-4,5-bis(3-nitrophenyl)-2-furyl]methylene}hydrazino)-2-oxoethanaminium chloride","","","","","","","","","","","","","","","","","","","","Trimethyl-[2-[(2E)-2-[[3-nitro-4,5-bis(3-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]azanium;chloride","","C[N+](C)(C)CC(=O)NN=CC1=C(C(=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]","ZJUNGVPLJMRUEC-RRHSQXQGSA-N","9571706",NA,"PDBC40367","647130","Present"
-"N,N-Bis(1H-benzimidazol-2-ylmethyl)-2-phenylethanamine","","","","","","","","","","","","","","","","","","","","N,N-Bis(1H-benzimidazol-2-ylmethyl)-2-phenylethanamine","","C1=CC=C(C=C1)CCN(CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4","IQQSGUWPUMPOIQ-UHFFFAOYSA-N","387361",NA,"PDBC40368","681113","Present"
-"N,N-Bis(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)acetamide","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)acetamide","","CC(=O)N(CCN1C(=O)C2=CC=CC=C2C1=O)CCN3C(=O)C4=CC=CC=C4C3=O","CLCQXIQZSSUMQG-UHFFFAOYSA-N","361760",NA,"PDBC40369","625026","Present"
-"N,N-Bis(2-aminoethyl)acetamide","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-aminoethyl)acetamide","","CC(=O)N(CCN)CCN","DZFFVUPWZIKCDX-UHFFFAOYSA-N","361761",NA,"PDBC40370","625027","Present"
-"N,N-Bis(2-bromo-2-propenyl)acetamide","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-bromo-2-propenyl)acetamide","","CC(=O)N(CC(=C)Br)CC(=C)Br","UZDNUEKCNWQHGO-UHFFFAOYSA-N","379675",NA,"PDBC40371","664555","Present"
-"N,N-Bis(2-bromoallyl)methylamine","","","","","","","","","","","","","","","","","","","","2-Bromo-N-(2-bromo-2-propenyl)-N-methyl-2-propen-1-amine","","CN(CC(=C)Br)CC(=C)Br","LBJKANBIQPSNGD-UHFFFAOYSA-N","243532",NA,"PDBC40372","53441","Present"
-"N,N-Bis(2-bromoethyl)diamidophosphoric acid 5-nitrofurfuryl ester","","","","","","","","","","","","","","","","","","","","NSC688022","","C1=C(OC(=C1)[N+](=O)[O-])COP(=O)(N)N(CCBr)CCBr","VUBQJZIZBRBAGS-UHFFFAOYSA-N","390535",NA,"PDBC40373","688022","Present"
-"N,N-Bis(2-bromopropyl)-9H-fluoren-2-amine","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-bromopropyl)-9H-fluoren-2-amine","","CC(CN(CC(C)Br)C1=CC2=C(C=C1)C3=CC=CC=C3C2)Br","KXXFPDNKSPNSMV-UHFFFAOYSA-N","240377",NA,"PDBC40374","46529","Present"
-"N,N-Bis(2-chloroethyl)-3-methyl-4-(naphthalen-2-yliminomethyl)aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-chloroethyl)-3-methyl-4-(naphthalen-2-yliminomethyl)aniline;hydrochloride","","CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC3=CC=CC=C3C=C2.Cl","MJOYPAVVHXOXPI-UHFFFAOYSA-N","24191452",NA,"PDBC40375","121879","Present"
-"N,N-Bis(2-chloroethyl)-4-(6-chloropurin-9-yl)aniline","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-chloroethyl)-4-(6-chloropurin-9-yl)aniline","","C1=CC(=CC=C1N2C=NC3=C2N=CN=C3Cl)N(CCCl)CCCl","QRPGGRCHUPLCMK-UHFFFAOYSA-N","254234",NA,"PDBC40376","78298","Present"
-"N,N-Bis(2-chloroethyl)-4-[(E)-2-(1-ethyl-6-iodoquinolin-1-ium-2-yl)ethenyl]aniline;iodide","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-chloroethyl)-4-[(E)-2-(1-ethyl-6-iodoquinolin-1-ium-2-yl)ethenyl]aniline;iodide","","CC[N+]1=C(C=CC2=C1C=CC(=C2)I)C=CC3=CC=C(C=C3)N(CCCl)CCCl.[I-]","CZZLEPJYRKEAEH-UHFFFAOYSA-M","54608102",NA,"PDBC40377","640083","Present"
-"N,N-Bis(2-chloroethyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propyl]aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-chloroethyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propyl]aniline;hydrochloride","","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)CCCC6=CC=C(C=C6)N(CCCl)CCCl.Cl","PFOLWFMJEWLILV-UHFFFAOYSA-N","384809",NA,"PDBC40378","675257","Present"
-"N,N-Bis(2-chloroethyl)-6-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-chloroethyl)-6-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine","","CC1=CC2=C(C=C1)OP(=O)(OC2C(Cl)(Cl)Cl)N(CCCl)CCCl","JFCBXAYVXLGIHX-UHFFFAOYSA-N","382839",NA,"PDBC40379","670668","Present"
-"N,N-Bis(2-chloroethyl)-8-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-chloroethyl)-8-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine","","CC1=C2C(=CC=C1)C(OP(=O)(O2)N(CCCl)CCCl)C(Cl)(Cl)Cl","ZPRPMGSHXHEUMS-UHFFFAOYSA-N","382838",NA,"PDBC40380","670667","Present"
-"N,N-Bis(2-chloroethyl)-N-methyl-N-[(1-methyl-4-nitro-5-imidazolyl)methyl]ammonium chloride","","","","","","","","","","","","","","","","","","","","Bis(2-chloroethyl)-methyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;chloride","","CN1C=NC(=C1C[N+](C)(CCCl)CCCl)[N+](=O)[O-].[Cl-]","FZGCLOUSZIVYHQ-UHFFFAOYSA-M","377468",NA,"PDBC40381","658926","Present"
-"N,N-Bis(2-chloroethyl)-p-toluidine","","","","","","","","","","","","","","","","","","","","p-N,N-Di(2-chloroethyl)toluidine","","CC1=CC=C(C=C1)N(CCCl)CCCl","GDPRJMAJFSDBKX-UHFFFAOYSA-N","100400",NA,"PDBC40382","294980","Present"
-"N,N-Bis(2-chloropropyl)-N-methylammonium chloride","","","","","","","","","","","","","","","","","","","","N,N-bis(2-chloropropyl)-N-methylammonium chloride","","CC(CN(C)CC(C)Cl)Cl.Cl","ZZRBIKAWEWFTIB-UHFFFAOYSA-N","381678",NA,"PDBC40383","668523","Present"
-"N,N-Bis(2-hydroxyethyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-hydroxyethyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide","","CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)N(CCO)CCO","FSQCINLUUZDMCK-UHFFFAOYSA-N","5470958",NA,"PDBC40384","706817","Present"
-"N,N-Bis(2-methoxyethyl)-2-[[32,33,34,35-tetrakis[2-[bis(2-methoxyethyl)amino]-2-oxoethoxy]-5,11,17,23,29-pentatert-butyl-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaenyl]oxy]acetamide","","","","","","","","","","","","","","","","","","","","N,N-Bis(2-methoxyethyl)-2-[[32,33,34,35-tetrakis[2-[bis(2-methoxyethyl)amino]-2-oxoethoxy]-5,11,17,23,29-pentatert-butyl-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,1","","CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)N(CCOC)CCOC)CC4=CC(=CC(=C4OCC(=O)N(CCOC)CCOC)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)C2)OCC(=O)N(CCOC)CCOC)OCC(=O)N(CCOC)CCOC)C(C)(C)C)C(C)(C)C)OCC(=O)N(CCOC)CCOC","LJQRACBHAOMZIE-UHFFFAOYSA-N","381127",NA,"PDBC40385","667440","Present"
-"N,N-Bis(2-methoxyethyl)-2-phenylquinazolin-4-amine","","","","","","","","","","","","","","","","","","","","N4,N4-di(2-methoxyethyl)-2-phenyl-4-quinazolinamine di(2...","","COCCN(CCOC)C1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3","GKJOALAKKFHGPH-UHFFFAOYSA-N","1564647",NA,"PDBC40386","727966","Present"
-"N,N-Bis(3,5-dimethyl-1H-pyrazole-1-ylmethyl)aniline","","","","","","","","","","","","","","","","","","","","3,3',5,5'-tetramethyl-N,N-Bis(pyrazol-1-ylmethyl)aniline","","CC1=CC(=NN1CN(CN2C(=CC(=N2)C)C)C3=CC=CC=C3)C","WRZCLCMIUFQVFS-UHFFFAOYSA-N","404563",NA,"PDBC40387","720859","Present"
-"N,N-Bis(3,5-dimethylpyrazol-1-ylmethyl)-cyclohexylamine","","","","","","","","","","","","","","","","","","","","3,3',5,5'-tetra-methyl-N,N-Bis(pyrazol-1-ylmethyl)cycloh...","","CC1=CC(=NN1CN(CN2C(=CC(=N2)C)C)C3CCCCC3)C","BUFOHUXVVLVRBQ-UHFFFAOYSA-N","404566",NA,"PDBC40388","720862","Present"
-"N,N-Bis(methoxycarbonyl)valine","","","","","","","","","","","","","","","","","","","","2-[Bis(methoxycarbonyl)amino]-3-methylbutanoic acid","","CC(C)C(C(=O)O)N(C(=O)OC)C(=O)OC","VVPDGGOGQXQSMA-UHFFFAOYSA-N","360223",NA,"PDBC40389","622233","Present"
-"N,N-Bis[(2,3-dimethoxyquinoxaline-6-yl)methyl]-3,4,5-trimethoxybenzenamine","","","","","","","","","","","","","","","","","","","","N,N-Bis[(2,3-dimethoxyquinoxaline-6-yl)methyl]-3,4,5-trimethoxybenzenamine","","COC1=CC(=CC(=C1OC)OC)N(CC2=CC3=C(C=C2)N=C(C(=N3)OC)OC)CC4=CC5=C(C=C4)N=C(C(=N5)OC)OC","OQLOGSJLTSAUQD-UHFFFAOYSA-N","380466",NA,"PDBC40390","666062","Present"
-"N,N-Bis[2-hydroxybenzyl]amine","","","","","","","","","","","","","","","","","","","","NSC26194","","C1=CC=C(C(=C1)CNCC2=CC=CC=C2O)O","ARMZYJYJGIRLRX-UHFFFAOYSA-N","230856",NA,"PDBC40391","26194","Present"
-"N,N-Bis[2-oxo-2-(2-phenylhydrazinyl)ethyl]nitrous amide","","","","","","","","","","","","","","","","","","","","N,N-Bis[2-oxo-2-(2-phenylhydrazinyl)ethyl]nitrous amide","","C1=CC=C(C=C1)NNC(=O)CN(CC(=O)NNC2=CC=CC=C2)N=O","GMCWBXDBYUUHBM-UHFFFAOYSA-N","228424",NA,"PDBC40392","21356","Present"
-"N,N-Di(2-cyclohexen-1-yl)aniline","","","","","","","","","","","","","","","","","","","","N,N-Di(2-cyclohexen-1-yl)aniline","","C1CC=CC(C1)N(C2CCCC=C2)C3=CC=CC=C3","OLUMBIYSBOFFQV-UHFFFAOYSA-N","360165",NA,"PDBC40393","622098","Present"
-"N,N-Dibenzyl-2-[(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-6-prop-2-enylcyclohex-3-en-1-yl]acetamide","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-2-[(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-6-prop-2-enylcyclohex-3-en-1-yl]acetamide","","CC(C)(C)[Si](C)(C)OC1C=CC(=O)C(C1CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3","PWCBAHMUSMNOIR-LSMIHOHGSA-N","401708",NA,"PDBC40394","715438","Present"
-"N,N-Dibenzyl-3-(2-mercapto-6-phenyl-4-pyrimidinyl)propanamide","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-3-(2-mercapto-6-phenyl-4-pyrimidinyl)propanamide","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC3=CC(=NC(=S)N3)C4=CC=CC=C4","ZADGPUJEHLJWPO-UHFFFAOYSA-N","3004011",NA,"PDBC40395","622440","Present"
-"N,N-Dibenzyl-3-(3,3-dimethyltriazeno)-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-153984","","CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)N=NN(C)C","QUPLBDXPQOMHBZ-UHFFFAOYSA-N","374089",NA,"PDBC40396","651349","Present"
-"N,N-Dibenzyl-3-(4-ethyl-3-propyl-1H-pyrazol-5-yl)propanamide","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-3-(4-ethyl-3-propyl-1H-pyrazol-5-yl)propanamide","","CCCC1=C(C(=NN1)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC","CNZOXWBJDLYUSD-UHFFFAOYSA-N","364857",NA,"PDBC40397","631670","Present"
-"N,N-Dibenzyl-3-(4-ethyl-5-propyl-3-isoxazolyl)propanamide","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-3-(4-ethyl-5-propyl-3-isoxazolyl)propanamide","","CCCC1=C(C(=NO1)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC","HHHPGTJRVTYHLW-UHFFFAOYSA-N","360377",NA,"PDBC40398","622438","Present"
-"N,N-Dibenzyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanamide","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanamide","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC3=CC(=NN3)C4=CC=C(C=C4)F","ZNRRRQPMAWDTJI-UHFFFAOYSA-N","364358",NA,"PDBC40399","630369","Present"
-"N,N-Dibenzyl-4-((2,4-bis(hydroxy(oxido)amino)phenyl)hydrazono)-6-oxo-6-phenylhexanamide","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-4-((2,4-bis(hydroxy(oxido)amino)phenyl)hydrazono)-6-oxo-6-phenylhexanamide","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C4=CC=CC=C4","UTPIQOXIMVEOGG-MUGXBBEHSA-N","6047838",NA,"PDBC40400","622441","Present"
-"N,N-Dibenzyl-4-((2,4-bis(hydroxy(oxido)amino)phenyl)hydrazono)-6-oxododecanamide","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-4-((2,4-bis(hydroxy(oxido)amino)phenyl)hydrazono)-6-oxododecanamide","","CCCCCCC(=O)CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3","KYEMXGSXHWKQNV-KGGMANCPSA-N","6243795",NA,"PDBC40401","631675","Present"
-"N,N-Dibenzyl-4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide","","CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4","WXJOVGZUFNTYFG-UHFFFAOYSA-N","135426540",NA,"PDBC40402","673104","Present"
-"N,N-Dibenzyl-4-methylaniline","","","","","","","","","","","","","","","","","","","","ADAL1110511","","CC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3","ZNNCXSVPJQOPBZ-UHFFFAOYSA-N","221519",NA,"PDBC40403","6246","Present"
-"N,N-Dibenzyl-5-ethyl-6-((3-hydroxy-2-naphthoyl)hydrazono)-4-oxononanamide","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-5-ethyl-6-((3-hydroxy-2-naphthoyl)hydrazono)-4-oxononanamide","","CCCC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C(CC)C(=O)CCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4","FOVNXGUJLKOQDP-BQNXFWFHSA-N","5863398",NA,"PDBC40404","631668","Present"
-"N,N-Dibenzyl-5-methyl-2,6-bis(methylsulfonyl)-4-pyrimidinamine","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-5-methyl-2,6-bis(methylsulfonyl)-4-pyrimidinamine","","CC1=C(N=C(N=C1S(=O)(=O)C)S(=O)(=O)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3","LFDTZMZXXNDDPJ-UHFFFAOYSA-N","362869",NA,"PDBC40405","627275","Present"
-"N,N-Dibenzyl-N''-cyano-N',N'-dimethylguanidine","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-N''-cyano-N',N'-dimethylguanidine","","CN(C)C(=NC#N)N(CC1=CC=CC=C1)CC2=CC=CC=C2","CYHMRQUZRQBZQL-UHFFFAOYSA-N","373927",NA,"PDBC40406","650956","Present"
-"N,N-Dibenzyl-N''-cyano-N'-methylguanidine","","","","","","","","","","","","","","","","","","","","1,1-Dibenzyl-3-cyano-2-methylguanidine","","CN=C(NC#N)N(CC1=CC=CC=C1)CC2=CC=CC=C2","VYWXNASMYWDZQG-UHFFFAOYSA-N","373921",NA,"PDBC40407","650951","Present"
-"N,N-Dibenzyl-N'-butyl-N''-cyanoguanidine","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyl-N'-butyl-N''-cyanoguanidine","","CCCCN=C(NC#N)N(CC1=CC=CC=C1)CC2=CC=CC=C2","WWOHIVLELNZJJO-UHFFFAOYSA-N","373922",NA,"PDBC40408","650952","Present"
-"N,N-Dibenzyldaunorubicin hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Dibenzyldaunorubicin","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N(CC6=CC=CC=C6)CC7=CC=CC=C7)O.Cl","CFPUQMKLKLOWBL-VGXRFQQFSA-N","5351284",NA,"PDBC40409","268242","Present"
-"N,N-Dibutyl-2,4-dioxo-6-phenyl-5-hexenamide","","","","","","","","","","","","","","","","","","","","N,N-Dibutyl-2,4-dioxo-6-phenyl-5-hexenamide","","CCCCN(CCCC)C(=O)C(=O)CC(=O)C=CC1=CC=CC=C1","UNUICVBRAYIRIH-OUKQBFOZSA-N","5388095",NA,"PDBC40410","631856","Present"
-"N,N-Dibutyl-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N,N-Dibutyl-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","CCCCN(CCCC)C(=O)C(=O)C(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OC","QUJMVNFXWDMEIP-UHFFFAOYSA-N","364929",NA,"PDBC40411","631815","Present"
-"N,N-Dibutyl-3-cyano-3-(4-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N,N-Dibutyl-3-cyano-3-(4-methylphenyl)-2-oxopropanamide","","CCCCN(CCCC)C(=O)C(=O)C(C#N)C1=CC=C(C=C1)C","WBOPNSXXXKXBGD-UHFFFAOYSA-N","364941",NA,"PDBC40412","631827","Present"
-"N,N-Dibutyl-3-methyl-2,4-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N,N-Dibutyl-3-methyl-2,4-dioxohexanamide","","CCCCN(CCCC)C(=O)C(=O)C(C)C(=O)CC","MHOCIHKLGJQYND-UHFFFAOYSA-N","360660",NA,"PDBC40413","622978","Present"
-"N,N-Dibutyl-4-[4-(dibutylamino)benzenecarboximidoyl]aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Dibutyl-4-[4-(dibutylamino)benzenecarboximidoyl]aniline;hydrochloride","","CCCCN(CCCC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(CCCC)CCCC.Cl","UFNSXKNAQJUKKK-UHFFFAOYSA-N","24184169",NA,"PDBC40414","33435","Present"
-"N,N-Dibutyl-7-(diethylamino)-9-methyl-3H-phenothiazin-3-iminium chloride","","","","","","","","","","","","","","","","","","","","phenothiazin-5-ium (9ci), 7-(dibutylamino)-3-(diethylami...","","CCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3C)N(CC)CC)SC2=C1)CCCC.[Cl-]","RMODMLJGOYRGMV-UHFFFAOYSA-M","24181669",NA,"PDBC40415","10667","Present"
-"N,N-Dibutyl-N-[3,4,4-trichloro-1-(dibutylamino)-2-nitro-1,3-butadienyl]amine","","","","","","","","","","","","","","","","","","","","N,N-Dibutyl-N-[3,4,4-trichloro-1-(dibutylamino)-2-nitro-1,3-butadienyl]amine","","CCCCN(CCCC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N(CCCC)CCCC","MNTXWSJOQLHEBP-UHFFFAOYSA-N","394699",NA,"PDBC40416","698367","Present"
-"N,N-Dicyclohexyl-3-(3,3-dimethyltriazeno)-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-153986","","CC1=C(C=C(C=C1)C(=O)N(C2CCCCC2)C3CCCCC3)N=NN(C)C","VXTBXWJLIXAJTA-UHFFFAOYSA-N","374088",NA,"PDBC40417","651348","Present"
-"N,N-Didecyl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(didecylamino)-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide","","","","","","","","","","","","","","","","","","","","N,N-Didecyl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(didecylamino)-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy","","CCCCCCCCCCN(CCCCCCCCCC)C(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C(C)(C)C","SBLLZHHPLLIHBY-UHFFFAOYSA-N","381126",NA,"PDBC40418","667439","Present"
-"N,N-Diethyl-1-methyl-4H-imidazo[1,2-a][1,5]benzodiazepin-5-amine","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-1-methyl-4H-imidazo[1,2-a][1,5]benzodiazepin-5-amine","","CCN(CC)C1=NC2=CC=CC=C2N3C(=CN=C3C1)C","VFJBCBFIYXERGI-UHFFFAOYSA-N","387312",NA,"PDBC40419","681025","Present"
-"N,N-Diethyl-1-trityloxy-but-3-en-2-amine","","","","","","","","","","","","","","","","","","","","N,N-diethyl-1-trityloxy-but-3-en-2-amine","","CCN(CC)C(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=C.Cl","GFKPBZVSKDOVRA-UHFFFAOYSA-N","54598889",NA,"PDBC40420","16440","Present"
-"N,N-Diethyl-2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetamide","","CCN(CC)C(=O)CC12CCCCC1=NC3=CC=CC=C23","SDFGIUVJNPWOFB-UHFFFAOYSA-N","370426",NA,"PDBC40421","643522","Present"
-"N,N-Diethyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide","","CCN(CC)C(=O)CN1C2=C(CCCC2)C3=CC=CC=C31","FPZIMVKSGIYWTC-UHFFFAOYSA-N","381584",NA,"PDBC40422","668375","Present"
-"N,N-Diethyl-2-(12-methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)ethanamine","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-2-(4-methoxy-8,10,15,18-tetrazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-1(18),2(7),3,5,9,11(20),12,14(19)-octaen-15-yl)ethanamine","","CCN(CC)CCN1CCN=C2C3=C(C=CC(=C3)OC)N4C=NC5=C4C2=C1C=C5","POHDDFXTASTRKP-UHFFFAOYSA-N","377158",NA,"PDBC40423","658360","Present"
-"N,N-Diethyl-2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanamine","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanamine","","CCN(CC)CCN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC","ALZPIPCMTONTND-UHFFFAOYSA-N","377154",NA,"PDBC40424","658356","Present"
-"N,N-Diethyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide","","CCN(CC)C(=O)C(C)N1C=C(C(=O)NC1=O)C","FYBRTGYPCOIHHQ-UHFFFAOYSA-N","376200",NA,"PDBC40425","656737","Present"
-"N,N-Diethyl-2-[(5Z)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]acetamide","","","","","","","","","","","","","","","","","","","","(Z)-N,N-Diethyl 2-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-...","","CCN(CC)C(=O)CC1=C(C(=CC2=C(C=C(N2)C3=CC=CN3)OC)N=C1C)C","JQWUHFXEGONPOQ-PDGQHHTCSA-N","155810237",NA,"PDBC40426","787813","Present"
-"N,N-Diethyl-2-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]ethanamine","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-2-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]ethanamine","","CCN(CC)CCOCCN1C2=C(CCCC2)C3=CC=CC=C31","FJOWPJOANPZQLD-UHFFFAOYSA-N","382630",NA,"PDBC40427","670271","Present"
-"N,N-Diethyl-2-nitro-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-2-nitro-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxamide","","CCN(CC)C(=O)C1=C2NC3=CC=CC=C3N2C(=O)C(=C1)[N+](=O)[O-]","CZBGAPBNIDWVRF-UHFFFAOYSA-N","383768",NA,"PDBC40428","672212","Present"
-"N,N-Diethyl-3-((2-(1H-indol-3-yl)-1-methylethyl)amino)propanamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-3-((2-(1H-indol-3-yl)-1-methylethyl)amino)propanamide","","CCN(CC)C(=O)CCNC(C)CC1=CNC2=CC=CC=C21","QXIZFJUBPMECID-UHFFFAOYSA-N","380035",NA,"PDBC40429","665330","Present"
-"N,N-Diethyl-3-(3,3-dimethyltriazeno)-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-153989","","CCN(CC)C(=O)C1=CC(=C(C=C1)C)N=NN(C)C","CQIDYALDGZXXJP-UHFFFAOYSA-N","374086",NA,"PDBC40430","651346","Present"
-"N,N-Diethyl-3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide","","CCN(CC)C(=O)CCN1C=C(C(=O)NC1=O)F","MNPCCGHAGUZRRE-UHFFFAOYSA-N","376202",NA,"PDBC40431","656739","Present"
-"N,N-Diethyl-3-(isonicotinoylhydrazono)butanamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-3-(isonicotinoylhydrazono)butanamide","","CCN(CC)C(=O)CC(=NNC(=O)C1=CC=NC=C1)C","RHVNVBUFFOQJLV-LFIBNONCSA-N","9571669",NA,"PDBC40432","641865","Present"
-"N,N-Diethyl-4,4'-diisopropoxy-2',3'-dimethoxy-6'-methyl[1,1'-biphenyl]-2-carboxamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-4,4'-diisopropoxy-2',3'-dimethoxy-6'-methyl[1,1'-biphenyl]-2-carboxamide","","CCN(CC)C(=O)C1=C(C=CC(=C1)OC(C)C)C2=C(C(=C(C=C2C)OC(C)C)OC)OC","AUDTWBLYCSHTIM-UHFFFAOYSA-N","375114",NA,"PDBC40433","654237","Present"
-"N,N-Diethyl-4-((4-[1,3]oxazolo[5,4-b]pyridin-2-ylphenyl)diazenyl)aniline","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-4-((4-[1,3]oxazolo[5,4-b]pyridin-2-ylphenyl)diazenyl)aniline","","CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(O3)N=CC=C4","XYKLAAMYYOXMHR-UHFFFAOYSA-N","365517",NA,"PDBC40434","633205","Present"
-"N,N-Diethyl-4-((4-[1,3]thiazolo[5,4-b]pyridin-2-ylphenyl)diazenyl)aniline","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-4-((4-[1,3]thiazolo[5,4-b]pyridin-2-ylphenyl)diazenyl)aniline","","CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(S3)N=CC=C4","YBRWUZQEDAGCAK-UHFFFAOYSA-N","366876",NA,"PDBC40435","635920","Present"
-"N,N-Diethyl-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)cyclohexanamine","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-4-(7-methyl-6-morpholin-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)cyclohexan-1-amine","","CCN(CC)C1CCC(CC1)C2C(C(OC3=CC4=C(C=C23)OCO4)N5CCOCC5)C","OHPQBXGMPNAMEP-UHFFFAOYSA-N","380589",NA,"PDBC40436","666239","Present"
-"N,N-Diethyl-4-(ethylamino)-2-hydroxy[1,8]naphthyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-4-(ethylamino)-2-hydroxy[1,8]naphthyridine-3-carboxamide","","CCNC1=C(C(=O)NC2=C1C=CC=N2)C(=O)N(CC)CC","KNVXVFLLCBTPEV-UHFFFAOYSA-N","369337",NA,"PDBC40437","641092","Present"
-"N,N-Diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride","","CCN(CC)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C.Cl.[Cl-]","DGHYHRURJCIKPS-UHFFFAOYSA-M","54605565",NA,"PDBC40438","31777","Present"
-"N,N-Diethyl-4-[(E)-2-(4-methylquinolin-2-yl)ethenyl]aniline","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-4-[(E)-2-(4-methylquinolin-2-yl)ethenyl]aniline","","CCN(CC)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C","GNKKEOQOUXCYQD-JLHYYAGUSA-N","5912102",NA,"PDBC40439","16520","Present"
-"N,N-Diethyl-4-[(Z)-(1-phenylimidazo[1,5-a]benzimidazol-3-ylidene)methyl]aniline","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-4-[(Z)-(1-phenylimidazo[1,5-a]benzimidazol-3-ylidene)methyl]aniline","","CCN(CC)C1=CC=C(C=C1)C=C2C3=NC4=CC=CC=C4N3C(=N2)C5=CC=CC=C5","GWFBLCIAKFHXBS-NKFKGCMQSA-N","5472493",NA,"PDBC40440","719481","Present"
-"N,N-Diethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline","","CCN(CC)C1=CC=C(C=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC","QSGXVBYFOGLRIO-UHFFFAOYSA-N","45028261",NA,"PDBC40441","741943","Present"
-"N,N-Diethyl-4-[[4-(4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]diazenyl]aniline;iodide","","","","","","","","","","","","","","","","","","","","2-(4-{(E)-[4-(Diethylamino)phenyl]diazenyl}phenyl)-4-methyl[1,3]oxazolo[5,4-b]pyridin-4-ium iodide","","CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(O3)[N+](=CC=C4)C.[I-]","VELNGNNTYHKYNE-UHFFFAOYSA-M","366874",NA,"PDBC40442","635919","Present"
-"N,N-Diethyl-4-[[4-(4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]diazenyl]aniline;iodide","","","","","","","","","","","","","","","","","","","","2-(4-{(E)-[4-(Diethylamino)phenyl]diazenyl}phenyl)-4-methyl[1,3]thiazolo[5,4-b]pyridin-4-ium iodide","","CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(S3)[N+](=CC=C4)C.[I-]","IGPBONGWXWJHSS-UHFFFAOYSA-M","366877",NA,"PDBC40443","635921","Present"
-"N,N-Diethyl-4-nitrosoaniline","","","","","","","","","","","","","","","","","","","","p-Nitroso-N,N-diethylaniline","","CCN(CC)C1=CC=C(C=C1)N=O","OLNMJIHADFYHAK-UHFFFAOYSA-N","67115",NA,"PDBC40444","5418","Present"
-"N,N-Diethyl-4-thioformyl-1-piperazinecarboxamide","","","","","","","","","","","","","","","","","","","","1-(N,N-Diethylcarbomoyl)-4-thioformylpiperazine","","CCN(CC)C(=O)N1CCN(CC1)C=S","AEKVIELSZPLNEX-UHFFFAOYSA-N","367807",NA,"PDBC40445","637832","Present"
-"N,N-Diethyl-4H-imidazo[1,2-a][1,5]benzodiazepin-5-amine","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-4H-imidazo[1,2-a][1,5]benzodiazepin-5-amine","","CCN(CC)C1=NC2=CC=CC=C2N3C=CN=C3C1","KXXPWIYUYZWVOO-UHFFFAOYSA-N","387311",NA,"PDBC40446","681024","Present"
-"N,N-Diethyl-5,8-dimethoxy-1-naphthamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-5,8-dimethoxy-1-naphthamide","","CCN(CC)C(=O)C1=CC=CC2=C(C=CC(=C21)OC)OC","PJCDEHFJFYBMLA-UHFFFAOYSA-N","362071",NA,"PDBC40447","625594","Present"
-"N,N-Diethyl-6-(13-hydroxy-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)hexanamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-6-(6-hydroxy-5,7-dioxo-5,6,7,13-tetrahydro-1...","","CCN(CC)C(=O)CCCCCN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6NC5=C31)C(=O)N(C4=O)O","ZPKLQEVXAOYEQS-UHFFFAOYSA-N","155807108",NA,"PDBC40448","783515","Present"
-"N,N-Diethyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C","FEMIEKUWTKIHRN-UHFFFAOYSA-N","381388",NA,"PDBC40449","667928","Present"
-"N,N-Diethyl-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)OC)C","WWDZZJZRKOMCFQ-UHFFFAOYSA-N","381368",NA,"PDBC40450","667908","Present"
-"N,N-Diethyl-9-(oxiran-2-yl)nonanamide","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-9-(oxiran-2-yl)nonanamide","","CCN(CC)C(=O)CCCCCCCCC1CO1","PGTBVUYPUTVKDJ-UHFFFAOYSA-N","389881",NA,"PDBC40451","686509","Present"
-"N,N-Diethyl-N'-(5-methyl-9-methoxy-6H-pyridazino[4,5-b]carbazole-4-yl)-1,3-propanediamine","","","","","","","","","","","","","","","","","","","","N,N-Diethyl-N'-(5-methyl-9-methoxy-6H-pyridazino[4,5-b]carbazole-4-yl)-1,3-propanediamine","","CCN(CC)CCCNC1=C2C(=C3C(=C4C=C(C=CC4=N3)OC)C=C2C=NN1)C","CBLMWYVRDBKVBG-UHFFFAOYSA-N","396093",NA,"PDBC40452","701617","Present"
-"N,N-Diethyldithiocarbamic acid 2-[(5-phenyl-1,3,4-oxadiazole-2-yl)amino]-2-oxo-1-phenylethyl ester","","","","","","","","","","","","","","","","","","","","[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] diethylaminomethanedithioate","","CCN(CC)C(=S)SC(C1=CC=CC=C1)C(=O)NC2=NN=C(O2)C3=CC=CC=C3","CDPQDKIBQOUTTN-UHFFFAOYSA-N","399284",NA,"PDBC40453","709973","Present"
-"N,N-Diethyldithiocarbamic acid 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-yl]amino]-2-oxo-1-phenylethyl ester","","","","","","","","","","","","","","","","","","","","2-{[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino}-2-oxo-1-phenylethyl diethyldithiocarbamate","","CCN(CC)C(=S)SC(C1=CC=CC=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl","SHQMTKDJRXHZIW-UHFFFAOYSA-N","404492",NA,"PDBC40454","720728","Present"
-"N,N-Diethylethanamine;6-[2-(4-hydroxy-3-nitrophenyl)ethylamino]-1H-benzimidazole-4,7-dione","","","","","","","","","","","","","","","","","","","","N,N-Diethylethanamine;6-[2-(4-hydroxy-3-nitrophenyl)ethylamino]-1H-benzimidazole-4,7-dione","","CCN(CC)CC.C1=CC(=C(C=C1CCNC2=CC(=O)C3=C(C2=O)NC=N3)[N+](=O)[O-])O","AEHSNFQJTOLLID-UHFFFAOYSA-N","24202492",NA,"PDBC40455","673320","Present"
-"N,N-Diheptylquinoline-4-carboximidamide","","","","","","","","","","","","","","","","","","","","NSC21529","","CCCCCCCN(CCCCCCC)C(=N)C1=CC=NC2=CC=CC=C12","IMGPGBFUGOSGFK-UHFFFAOYSA-N","409495",NA,"PDBC40456","21529","Present"
-"N,N-Dihexyl-2-(6H-isoindolo[2,1-a]indol-11-yl)acetamide","","","","","","","","","","","","","","","","","","","","N,N-Dihexyl-2-(6H-isoindolo[2,1-a]indol-11-yl)acetamide","","CCCCCCN(CCCCCC)C(=O)CC1=C2C3=CC=CC=C3CN2C4=CC=CC=C41","TZWKIWBBKZFDIF-UHFFFAOYSA-N","374073",NA,"PDBC40457","651333","Present"
-"N,N-Dihexylquinoline-4-carboximidamide","","","","","","","","","","","","","","","","","","","","N,N-Dihexylquinoline-4-carboximidamide","","CCCCCCN(CCCCCC)C(=N)C1=CC=NC2=CC=CC=C12","YISMMPSEZVTBAS-UHFFFAOYSA-N","408791",NA,"PDBC40458","15812","Present"
-"N,N-Diisopentyl-N-(10-(6-methoxy-3,4-dihydro-1(2H)-quinolinyl)decyl)amine","","","","","","","","","","","","","","","","","","","","N,N-Diisopentyl-N-(10-(6-methoxy-3,4-dihydro-1(2H)-quinolinyl)decyl)amine","","CC(C)CCN(CCCCCCCCCCN1CCCC2=C1C=CC(=C2)OC)CCC(C)C","BZENKGUITGGMBW-UHFFFAOYSA-N","222785",NA,"PDBC40459","9691","Present"
-"N,N-Diisopropyl-1-adamantanecarboxamide","","","","","","","","","","","","","","","","","","","","N,N-Diisopropyl-1-adamantanecarboxamide","","CC(C)N(C(C)C)C(=O)C12CC3CC(C1)CC(C3)C2","VADNJKCDNAJFKT-UHFFFAOYSA-N","369222",NA,"PDBC40460","640928","Present"
-"N,N-Diisopropyl-1-methylcyclopropanecarboxamide","","","","","","","","","","","","","","","","","","","","N,N-Diisopropyl-1-methylcyclopropanecarboxamide","","CC(C)N(C(C)C)C(=O)C1(CC1)C","JJVRMEYNAUPAHC-UHFFFAOYSA-N","369219",NA,"PDBC40461","640925","Present"
-"N,N-Diisopropyl-2-methyl-2,3-butadienamide","","","","","","","","","","","","","","","","","","","","N,N-Diisopropyl-2-methyl-2,3-butadienamide","","CC(C)N(C(C)C)C(=O)C(=C=C)C","JXEKLZNUOPSKKE-UHFFFAOYSA-N","376272",NA,"PDBC40462","656979","Present"
-"N,N-Diisopropyl-3-(3,3-dimethyltriazeno)-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-153991","","CC1=C(C=C(C=C1)C(=O)N(C(C)C)C(C)C)N=NN(C)C","JQEOTXIMIBXSLR-UHFFFAOYSA-N","374087",NA,"PDBC40463","651347","Present"
-"N,N-Dimethyl-1,2,3-triphenylbenzo[a]cyclopenta[i]azulen-7a(8H)-amine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-2,3,4-triphenyltetracyclo[8.7.0.01,5.012,17]heptadeca-2,4,6,8,12,14,16-heptaen-10-amine","","CN(C)C12CC3=CC=CC=C3C14C(=C(C(=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C=CC=C2","BDTOIQFSBKFLQC-UHFFFAOYSA-N","378128",NA,"PDBC40464","659929","Present"
-"N,N-Dimethyl-1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxamide","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxamide","","CN(C)C(=O)N1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC","SPHVROZECOQNIP-UHFFFAOYSA-N","374651",NA,"PDBC40465","652709","Present"
-"N,N-Dimethyl-1-(1H-perimidin-2-yl)methanamine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-1-(1H-perimidin-2-yl)methanamine","","CN(C)CC1=NC2=CC=CC3=C2C(=CC=C3)N1","ZZVTWGULKUBWQL-UHFFFAOYSA-N","353551",NA,"PDBC40466","602132","Present"
-"N,N-Dimethyl-1-methyl-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-1-methyl-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pyrrolidine-2-carboxamide","","CC1(OC(=O)C(=C2CCC(N2C)C(=O)N(C)C)C(=O)O1)C","SKZPUBHMDAOEGT-UHFFFAOYSA-N","366816",NA,"PDBC40467","635588","Present"
-"N,N-Dimethyl-11,12-diphenyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-11,12-diphenyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine","","CN(C)C1=NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C5=NN=CN51","CRLBOYOENZCPQE-UHFFFAOYSA-N","389707",NA,"PDBC40468","686273","Present"
-"N,N-Dimethyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-4-amine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-4-amine","","CN(C)C1=NN=CC2=NNN=C21","FCHFKMLZUBBMHA-UHFFFAOYSA-N","391403",NA,"PDBC40469","690576","Present"
-"N,N-Dimethyl-1H-benzimidazol-3-ium-2-amine;chloride","","","","","","","","","","","","","","","","","","","","NSC624859","","CN(C)C1=[NH+]C2=CC=CC=C2N1.[Cl-]","PNIQZVXRZZNCIJ-UHFFFAOYSA-N","361640",NA,"PDBC40470","624859","Present"
-"N,N-Dimethyl-1H-imidazo[4,5-d]pyridazin-4-amine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-1H-imidazo[4,5-d]pyridazin-4-amine","","CN(C)C1=C2C(=CN=N1)NC=N2","MMCSGQASAJUBEH-UHFFFAOYSA-N","5469587",NA,"PDBC40471","690571","Present"
-"N,N-Dimethyl-1H-imidazole-1-sulfonamide","","","","","","","","","","","","","","","","","","","","AK-87895","","CN(C)S(=O)(=O)N1C=CN=C1","YRRWNBMOJMMXQY-UHFFFAOYSA-N","395751",NA,"PDBC40472","700551","Present"
-"N,N-Dimethyl-2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)ethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)ethanamine;hydrochloride","","CN(C)CCN1C2=CC=CC=C2C3=NC4=CC5=CC=CC=C5C=C4N=C31.Cl","ZHHRQXHCIZENOY-UHFFFAOYSA-N","374016",NA,"PDBC40473","651089","Present"
-"N,N-Dimethyl-2-(3-(methylthio)-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-2-(3-(methylthio)-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide","","CN(C)C(=O)CC1(C2=CC=CC=C2NC1=O)SC","QGYVLFOCVYORLH-UHFFFAOYSA-N","326649",NA,"PDBC40474","298329","Present"
-"N,N-Dimethyl-2-(3-methylene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-2-(3-methylene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)acetamide","","CN(C)C(=O)CC1CC2C3=C(CCN2CC1=C)C4=CC=CC=C4N3","BJEIILJEIDCRBZ-UHFFFAOYSA-N","372697",NA,"PDBC40475","648230","Present"
-"N,N-Dimethyl-2-(4-(1-methyl-2-phenyl-3-indolizinyl)phenoxy)ethanamine","","","","","","","","","","","","","","","","","","","","Indolizine, 1-methyl-3-[4-[2-(dimethylamino)ethoxy]pheny...","","CC1=C2C=CC=CN2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)OCCN(C)C","AGCVPOVKAQCEKZ-UHFFFAOYSA-N","389733",NA,"PDBC40476","686324","Present"
-"N,N-Dimethyl-2-(4-methoxyphenyl)quinazolin-4-amine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-2-(4-methoxyphenyl)quinazolin-4-amine","","CN(C)C1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC","JVOKIEZNGGWAMQ-UHFFFAOYSA-N","400608",NA,"PDBC40477","712730","Present"
-"N,N-Dimethyl-2-[11-(3,4,5-trimethoxyphenyl)pyrido[3,2-c][1,7]phenanthrolin-6-yl]oxyethanamine","","","","","","","","","","","","","","","","","","","","6-(2-Dimethylaminoethoxy)-11-(3,4,5-trimethoxyphenyl)pyr...","","CN(C)CCOC1=NC2=C(C(=CC3=C2C=CC=N3)C4=CC(=C(C(=C4)OC)OC)OC)C5=C1C=CC=N5","LPKNLVKGPPYQJC-UHFFFAOYSA-N","155813897",NA,"PDBC40478","784600","Present"
-"N,N-Dimethyl-3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propan-1-amine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propan-1-amine","","CN(C)CCCC12CCCCC1=NC3=CC=CC=C23","HVKJPXSPPGSOPY-UHFFFAOYSA-N","386071",NA,"PDBC40479","677642","Present"
-"N,N-Dimethyl-3-(1-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-3-(1-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride","","CN(C)CCCN1C2=CC=CC=C2CCC3=C1C(=CC=C3)[N+](=O)[O-].Cl","HAQWJZCGKALYLC-UHFFFAOYSA-N","398618",NA,"PDBC40480","708567","Present"
-"N,N-Dimethyl-3-(2-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;oxalic acid","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-3-(2-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;oxalic acid","","CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O","GQJMDSSBYVNXCH-UHFFFAOYSA-N","401835",NA,"PDBC40481","715548","Present"
-"N,N-Dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride","","CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)[N+](=O)[O-].Cl","SZAPMNRTHLHSPU-UHFFFAOYSA-N","402566",NA,"PDBC40482","716685","Present"
-"N,N-Dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;oxalic acid","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;oxalic acid","","CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O","IZOTWZOVUQCKOY-UHFFFAOYSA-N","401802",NA,"PDBC40483","715530","Present"
-"N,N-Dimethyl-3-(4H-1,2,4-triazol-3-ylimino)-3H-1,2,4-dithiazol-5-amine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-3-(4H-1,2,4-triazol-3-ylimino)-3H-1,2,4-dithiazol-5-amine","","CN(C)C1=NC(=NC2=NC=NN2)SS1","OSLVCCYTNJUVMW-UITAMQMPSA-N","9569878",NA,"PDBC40484","622660","Present"
-"N,N-Dimethyl-3-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]propan-1-amine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-3-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]propan-1-amine","","CN(C)CCCOCCN1C2=C(CCCC2)C3=CC=CC=C31","VTFULHITJBSZRY-UHFFFAOYSA-N","382631",NA,"PDBC40485","670272","Present"
-"N,N-Dimethyl-3-pyridin-3-ylpropan-1-amine","","","","","","","","","","","","","","","","","","","","ZJINUQHUNJMQFN-UHFFFAOYSA-N","","CN(C)CCCC1=CN=CC=C1","ZJINUQHUNJMQFN-UHFFFAOYSA-N","238309",NA,"PDBC40486","42636","Present"
-"N,N-Dimethyl-4,6-bis[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4,6-bis[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride","","CC1CN=C(N1)C2=CC=CC(=C2)C3=NC(=NC(=N3)N(C)C)C4=CC(=CC=C4)C5=NCC(N5)C.Cl","CXTPCISAJLQRQI-UHFFFAOYSA-N","399691",NA,"PDBC40487","710607","Present"
-"N,N-Dimethyl-4,6-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4,6-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride","","CC1CN=C(N1)C2=CC=C(C=C2)C3=NC(=NC(=N3)N(C)C)C4=CC=C(C=C4)C5=NCC(N5)C.Cl","DOLSQHJGXKGDCZ-UHFFFAOYSA-N","399693",NA,"PDBC40488","710608","Present"
-"N,N-Dimethyl-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)aniline","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)aniline","","CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC=C(C=C5)N(C)C","VEINRYGCKDRNLM-UHFFFAOYSA-N","380583",NA,"PDBC40489","666233","Present"
-"N,N-Dimethyl-4-[(3-methylpyridin-4-yl)diazenyl]aniline","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4-[(E)-(3-methylpyridin-4-yl)diazenyl]aniline","","CC1=C(C=CN=C1)N=NC2=CC=C(C=C2)N(C)C","DWOGGSUZDXKLIH-UHFFFAOYSA-N","298478",NA,"PDBC40490","170639","Present"
-"N,N-Dimethyl-4-[(E)-2-(1-methyl-2,5-diphenylpyrazol-1-ium-3-yl)ethenyl]aniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4-[(E)-2-(1-methyl-2,5-diphenylpyrazol-1-ium-3-yl)ethenyl]aniline;trifluoromethanesulfonate","","C[N+]1=C(C=C(N1C2=CC=CC=C2)C=CC3=CC=C(C=C3)N(C)C)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]","LBTIJJHGPFFAPZ-UHFFFAOYSA-M","5469868",NA,"PDBC40491","693576","Present"
-"N,N-Dimethyl-4-[(E,3Z)-3-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)prop-1-enyl]aniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4-[(E,3Z)-3-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)prop-1-enyl]aniline;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC=CC4=CC=C(C=C4)N(C)C)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","DNLNFVZGMBQFNX-UHFFFAOYSA-M","5470319",NA,"PDBC40492","699477","Present"
-"N,N-Dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","GWIVOWYTVDQWOM-UHFFFAOYSA-M","5469858",NA,"PDBC40493","693571","Present"
-"N,N-Dimethyl-4-[(Z)-(6-methyl-7,8,9,10-tetrahydroindolo[1,2-b]indazol-6-ium-11-ylidene)methyl]aniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","11-(4-Dimethylaminobenzyliden)-6-methyl-7,8,9,10-tetrahy...","","C[N+]1=C2CCCCC2=C3N1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]","DOARKRWMRODJNP-UHFFFAOYSA-M","5472653",NA,"PDBC40494","720623","Present"
-"N,N-Dimethyl-4-[(Z)-[1-methyl-2-[(E)-2-phenylethenyl]pyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]aniline;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4-[(Z)-[1-methyl-2-[(E)-2-phenylethenyl]pyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]aniline;trifluoromethanesulfonate","","C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)C=CC5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","PSROBECGVMEYHD-PUBYZPQMSA-M","5471040",NA,"PDBC40495","707773","Present"
-"N,N-Dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline","","CN(C)C1=CC=C(C=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC","NJUMGXRDWXQICJ-UHFFFAOYSA-N","45028258",NA,"PDBC40496","741940","Present"
-"N,N-Dimethyl-4-nitrobenzamide","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-p-nitrobenzamide","","CN(C)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]","WYOXDERVKORKJN-UHFFFAOYSA-N","138975",NA,"PDBC40497","406843","Present"
-"N,N-Dimethyl-5-(2-oxohydrazino)-1,2,3-thiadiazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-5-(2-oxohydrazino)-1,2,3-thiadiazole-4-carboxamide","","CN(C)C(=O)C1=C(SN=N1)NN=O","XMBDAHICYLHPSO-UHFFFAOYSA-N","389964",NA,"PDBC40498","686666","Present"
-"N,N-Dimethyl-8,9-diphenylfuro[3,2-e]tetraazolo[1,5-c]pyrimidin-5-amine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-11,12-diphenyl-10-oxa-3,4,5,6,8-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine","","CN(C)C1=NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C5=NN=NN51","ZLVAHINNJGKFGQ-UHFFFAOYSA-N","389709",NA,"PDBC40499","686275","Present"
-"N,N-Dimethyl-N'-(1H-[1,2,3]triazolo[4,5-d]pyridazin-4-yl)imidoformamide","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-N'-(1H-[1,2,3]triazolo[4,5-d]pyridazin-4-yl)imidoformamide","","CN(C)C=NC1=NN=CC2=NNN=C21","RMDOYEVAYHWPMH-UHFFFAOYSA-N","391404",NA,"PDBC40500","690577","Present"
-"N,N-Dimethyl-N'-(2-bromoallyl)formamidine","","","","","","","","","","","","","","","","","","","","LS-69581","","CN(C)C=NCC(=C)Br","UVGQWRXKUXYVOQ-UHFFFAOYSA-N","58280",NA,"PDBC40501","665667","Present"
-"N,N-Dimethyl-N'-(2-morpholinoethyl)formamidine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-N'-(2-morpholinoethyl)formamidine","","CN(C)C=NCCN1CCOCC1","VVNXNKDQJUQZOS-UHFFFAOYSA-N","380200",NA,"PDBC40502","665663","Present"
-"N,N-Dimethyl-N'-(4-methyl-5-(methylimino)-1,2,4-dithiazolidin-3-ylidene)thiourea","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-N'-(4-methyl-5-(methylimino)-1,2,4-dithiazolidin-3-ylidene)thiourea","","CN=C1N(C(=NC(=S)N(C)C)SS1)C","WSURTLLMPHEBQH-FRYQIGRPSA-N","9569874",NA,"PDBC40503","622651","Present"
-"N,N-Dimethyl-N'-(4-methyl-5-(phenylimino)-1,2,4-dithiazolidin-3-ylidene)thiourea","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-N'-(4-methyl-5-(phenylimino)-1,2,4-dithiazolidin-3-ylidene)thiourea","","CN1C(=NC2=CC=CC=C2)SSC1=NC(=S)N(C)C","CLTQXRQZNGPZGB-GZEYDJJDSA-N","9569881",NA,"PDBC40504","622675","Present"
-"N,N-Dimethyl-N'-(4-methyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-N'-(4-methyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea","","CN1C(=NC(=S)N(C)C)SSC1=S","ZRRMDDHTHVEELU-ALCCZGGFSA-N","6063283",NA,"PDBC40505","622658","Present"
-"N,N-Dimethyl-N'-(4-phenyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-N'-(4-phenyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea","","CN(C)C(=S)N=C1N(C(=S)SS1)C2=CC=CC=C2","DIAZUBDZEAMEMY-BENRWUELSA-N","9569883",NA,"PDBC40506","622680","Present"
-"N,N-Dimethyl-N'-(5-(methylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene)thiourea","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-N'-(5-(methylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene)thiourea","","CN=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=CC=C2","CLWMHGBILJEHBA-GZEYDJJDSA-N","9569880",NA,"PDBC40507","622673","Present"
-"N,N-Dimethyl-N'-[(4-phenyl-7,8-dichloropyrrolo[1,2-a]quinoxaline-1-yl)methyl]-1,2-ethanediamine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-N'-[(4-phenyl-7,8-dichloropyrrolo[1,2-a]quinoxaline-1-yl)methyl]-1,2-ethanediamine","","CN(C)CCNCC1=CC=C2N1C3=CC(=C(C=C3N=C2C4=CC=CC=C4)Cl)Cl","DEKZGQFBQFDOJE-UHFFFAOYSA-N","399234",NA,"PDBC40508","709907","Present"
-"N,N-Dimethyl-p-(7-benzofurylazo)aniline","","","","","","","","","","","","","","","","","","","","7-(p-N,N-Dimethylaminophenylazo)benzofuran","","CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2OC=C3","LHVRXAUETJRESN-UHFFFAOYSA-N","39164",NA,"PDBC40509","680515","Present"
-"N,N-Dimethyl-p-phenylenediamine","","","","","","","","","","","","","","","","","","","","dmpd","","CN(C)C1=CC=C(C=C1)N","BZORFPDSXLZWJF-UHFFFAOYSA-N","7472",NA,"PDBC40510","1493","Present"
-"N,N-Dimethyldaunomycin hydrochloride","","","","","","","","","","","","","","","","","","","","N,N-Dimethyldaunomycin hydrochloride","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N(C)C)O.Cl","LXUULYQZJJTFOD-MUUKTGSOSA-N","5351276",NA,"PDBC40511","258812","Present"
-"N,N-Dimethyldiethylenetriamine","","","","","","","","","","","","","","","","","","","","n,n-dimethyldiethylenetriamine","","CN(C)CCNCCN","HLTMVWQXGLNLCU-UHFFFAOYSA-N","90424",NA,"PDBC40512","345672","Present"
-"N,N-Dimethyldithiocarbamic acid 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-yl]amino]-2-oxo-1-methylethyl ester","","","","","","","","","","","","","","","","","","","","[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate","","CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N(C)C","WLZKUZUIXOKTKB-UHFFFAOYSA-N","399292",NA,"PDBC40513","709981","Present"
-"N,N-Dimethylformamide;6-oxo-4-phenyl-N-(2H-tetrazol-5-yl)-1H-pyrimidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N,N-Dimethylformamide;6-oxo-4-phenyl-N-(2H-tetrazol-5-yl)-1H-pyrimidine-2-carboxamide","","CN(C)C=O.C1=CC=C(C=C1)C2=CC(=O)NC(=N2)C(=O)NC3=NNN=N3","SYRGEOSFLHQQGA-UHFFFAOYSA-N","135403622",NA,"PDBC40514","381469","Present"
-"N,N-Dimethylmethanamine;[hydroxy-[[1-[[1-[[(6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]methylidene]boron","","","","","","","","","","","","","","","","","","","","N,N-Dimethylmethanamine;[hydroxy-[[1-[[1-[[(6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]methylidene]boron","","","","",NA,"PDBC40515","681951","Present"
-"N,N-Dioctylquinoline-4-carboximidamide","","","","","","","","","","","","","","","","","","","","N,N-Dioctylquinoline-4-carboximidamide","","CCCCCCCCN(CCCCCCCC)C(=N)C1=CC=NC2=CC=CC=C12","MPYLKLHSRRVGHR-UHFFFAOYSA-N","408792",NA,"PDBC40516","15814","Present"
-"N,N-Diphenylbenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","N,N-Diphenylbenzamidine","","C1=CC=C(C=C1)C(=N)N(C2=CC=CC=C2)C3=CC=CC=C3","PTXGUWDEUKICHG-UHFFFAOYSA-N","361541",NA,"PDBC40517","624721","Present"
-"N,N-Trimethyl-L-valine ester quaternary ammonium chloride","","","","","","","","","","","","","","","","","","","","n,n,n-trimethyl-l-valine ester quaternary ammonium chloride","","CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)OC(=O)C(C(C)C)[N+](C)(C)C)O.[Cl-]","OOCJZVKIGHFYPJ-WKXPOXDISA-M","45029229",NA,"PDBC40518","745675","Present"
-"N,N-diethyl-thioxo-[?]amine","","","","","","","","","","","","","","","","","","","","N,N-diethyl-thioxo-[?]amine","","CCN(CC)P1(=S)OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54","GPFLMVFBKXXXDZ-UHFFFAOYSA-N","393588",NA,"PDBC40519","695659","Present"
-"N,O-Bis(2-chloroethyl)-N-(4-nitrobenzyl)hydroxylamine","","","","","","","","","","","","","","","","","","","","N,O-bis(2-chloroethyl)-N-(4-nitrobenzyl)hydroxylamine","","C1=CC(=CC=C1CN(CCCl)OCCCl)[N+](=O)[O-]","PQPPSCQFNKLBFD-UHFFFAOYSA-N","382453",NA,"PDBC40520","670017","Present"
-"N,O-Bis(3,4-dihydroxycinnamoyl)serine","","","","","","","","","","","","","","","","","","","","N,O-Bis(3,4-dihydroxycinnamoyl)serine","","C1=CC(=C(C=C1C=CC(=O)NC(COC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O","WFYGCZYSNOMCDF-FCXRPNKRSA-N","5470545",NA,"PDBC40521","702988","Present"
-"N,O-Diacetyljervine","","","","","","","","","","","","","","","","","","","","n,o-diacetyljervine","","CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)OC(=O)C)C)N(C1)C(=O)C","AETQSOZEKYWGIJ-UHFFFAOYSA-N","347578",NA,"PDBC40522","406352","Present"
-"N,n-Diethyl-n-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine","","","","","","","","","","","","","","","","","","","","1-N,1-N-Diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid","","CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","KZZWBYVWADVNFZ-UHFFFAOYSA-N","224741",NA,"PDBC40523","13479","Present"
-"N-(((2-Aminoethyl)amino)(diphenyl)methyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(((2-Aminoethyl)amino)(diphenyl)methyl)acetamide","","CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)NCCN","SDGHBFADZAXWJF-UHFFFAOYSA-N","379855",NA,"PDBC40524","664991","Present"
-"N-(((2-Methoxy-5-(trifluoromethyl)anilino)carbonyl)oxy)butanimidoyl chloride","","","","","","","","","","","","","","","","","","","","N-(((2-Methoxy-5-(trifluoromethyl)anilino)carbonyl)oxy)butanimidoyl chloride","","CCCC(=NOC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC)Cl","ZZHGIYUQMJULBM-ODLFYWEKSA-N","9556202",NA,"PDBC40525","672059","Present"
-"N-(((3,4-Dichloroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[(3,4-dichlorophenyl)amino] ...","","CC(C)C(=NOC(=O)NC1=CC(=C(C=C1)Cl)Cl)Cl","YSIAAVBFFUMJIS-YBEGLDIGSA-N","9556246",NA,"PDBC40526","682823","Present"
-"N-(((3-Chloro-4-fluoroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[(3-chloro-4-fluorophenyl) a...","","CC(C)C(=NOC(=O)NC1=CC(=C(C=C1)F)Cl)Cl","JOUSUXBSQKEFDO-YBEGLDIGSA-N","9556247",NA,"PDBC40527","682824","Present"
-"N-(((4-(Aminosulfonyl)-3-methylanilino)carbonyl)oxy)ethanimidoyl chloride","","","","","","","","","","","","","","","","","","","","Ethanimidoyl chloride, N-[[[[4-(aminosulfonyl)- 3-methyl...","","CC1=C(C=CC(=C1)NC(=O)ON=C(C)Cl)S(=O)(=O)N","YUAZCMKFKLZBJO-AUWJEWJLSA-N","5790897",NA,"PDBC40528","682830","Present"
-"N-(((4-Bromoanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[(4-bromophenyl)amino] carbo...","","CC(C)C(=NOC(=O)NC1=CC=C(C=C1)Br)Cl","SBRHCMDMRTVYMD-GDNBJRDFSA-N","9556248",NA,"PDBC40529","682825","Present"
-"N-(((4-Fluoro-3-(hydroxy(oxido)amino)anilino)carbonyl)oxy)ethanimidoyl chloride","","","","","","","","","","","","","","","","","","","","Acetaldehyde, 1-chloro-, O-[[(4-fluoro-3-nitrophenyl) am...","","CC(=NOC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])Cl","SXKGICHRSILUQU-ACAGNQJTSA-N","9556327",NA,"PDBC40530","693883","Present"
-"N-(((4-Methoxyphenyl)diazenyl)carbonyl)phenylalanine","","","","","","","","","","","","","","","","","","","","N-(((4-Methoxyphenyl)diazenyl)carbonyl)phenylalanine","","COC1=CC=C(C=C1)N=NC(=O)NC(CC2=CC=CC=C2)C(=O)O","QEEFJGYSUOAAFS-UHFFFAOYSA-N","386430",NA,"PDBC40531","678400","Present"
-"N-(((5-Chloro-2-methoxyanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[(5-chloro-2-methoxyphenyl) ...","","CC(C)C(=NOC(=O)NC1=C(C=CC(=C1)Cl)OC)Cl","SAERCGDIGOQNCX-WJDWOHSUSA-N","9556260",NA,"PDBC40532","682838","Present"
-"N-(((5-Fluoro-2-methylanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[(5-fluoro-2-methylphenyl) a...","","CC1=C(C=C(C=C1)F)NC(=O)ON=C(C(C)C)Cl","IPWGXHOJRNOZAV-WJDWOHSUSA-N","9556257",NA,"PDBC40533","682835","Present"
-"N-((1,3-Benzoxazol-2-ylthio)methyl)-N,N-diethylamine","","","","","","","","","","","","","","","","","","","","N-((1,3-Benzoxazol-2-ylthio)methyl)-N,N-diethylamine","","CCN(CC)CSC1=NC2=CC=CC=C2O1","WFDWXVWZXGIIOV-UHFFFAOYSA-N","364064",NA,"PDBC40534","629704","Present"
-"N-((1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl)benzenecarbothioamide","","","","","","","","","","","","","","","","","","","","N-((1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl)benzenecarbothioamide","","C1=CC=C(C=C1)C(=S)N=CC2=C(C3=CC=CC=C3C2=O)O","XYBIHHCCXRAIMB-UHFFFAOYSA-N","135409096",NA,"PDBC40535","657714","Present"
-"N-((1-(((Tert-Butoxycarbonyl)amino)acetyl)-2-pyrrolidinyl)carbonyl)alanine","","","","","","","","","","","","","","","","","","","","N-((1-(((Tert-Butoxycarbonyl)amino)acetyl)-2-pyrrolidinyl)carbonyl)alanine","","CC(C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C","FEKYGMFLLGGTIT-UHFFFAOYSA-N","381446",NA,"PDBC40536","668034","Present"
-"N-((1-Aminocyclopentyl)carbonyl)alanine","","","","","","","","","","","","","","","","","","","","DL-Alanine, N-[(1-aminocyclopentyl)carbonyl]-","","CC(C(=O)O)NC(=O)C1(CCCC1)N","KOIWZZHRJVZYBT-UHFFFAOYSA-N","4649050",NA,"PDBC40537","78857","Present"
-"N-((1-Benzyl-3-pyrrolidinyl)methyl)-4-quinazolinamine","","","","","","","","","","","","","","","","","","","","N-((1-Benzyl-3-pyrrolidinyl)methyl)-4-quinazolinamine","","C1CN(CC1CNC2=NC=NC3=CC=CC=C32)CC4=CC=CC=C4","UDUVTWVITKQZKA-UHFFFAOYSA-N","237586",NA,"PDBC40538","41274","Present"
-"N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline","","","","","","","","","","","","","","","","","","","","N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline","","COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","AUBHNBXSNJMTMM-UHFFFAOYSA-N","394503",NA,"PDBC40539","698048","Present"
-"N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxyaniline","","","","","","","","","","","","","","","","","","","","N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxyaniline","","COC1=CC(=CC(=C1OC)OC)NCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","YRVSELIUXNDJCD-UHFFFAOYSA-N","380868",NA,"PDBC40540","666611","Present"
-"N-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-N'-phenylthiourea","","","","","","","","","","","","","","","","","","","","N-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-N'-phenylthiourea","","C1=CC=C(C=C1)NC(=S)N=CC2=C(C3=CC=CC=C3OC2=O)O","HUEYSMZXDSCXGB-VCHYOVAHSA-N","135409056",NA,"PDBC40541","657448","Present"
-"N-((2-((4-Methylphenyl)sulfonyl)hydrazino)methyl)benzamide","","","","","","","","","","","","","","","","","","","","N-((2-((4-Methylphenyl)sulfonyl)hydrazino)methyl)benzamide","","CC1=CC=C(C=C1)S(=O)(=O)NNCNC(=O)C2=CC=CC=C2","XJCVCBOMIPBXLM-UHFFFAOYSA-N","389125",NA,"PDBC40542","684810","Present"
-"N-((2-(1H-Indol-3-yl)-1,3-dithiolan-2-yl)methyl)propanamide","","","","","","","","","","","","","","","","","","","","N-((2-(1H-Indol-3-yl)-1,3-dithiolan-2-yl)methyl)propanamide","","CCC(=O)NCC1(SCCS1)C2=CNC3=CC=CC=C32","JODWRPCHUUUVAU-UHFFFAOYSA-N","374532",NA,"PDBC40543","652283","Present"
-"N-((2-(Hydroxy(oxido)amino)phenyl)(methoxy)-lambda~4~-sulfanylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-((2-(Hydroxy(oxido)amino)phenyl)(methoxy)-lambda~4~-sulfanylidene)benzenesulfonamide","","COS(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2[N+](=O)[O-]","FQSXCBXRSPJKBF-UHFFFAOYSA-N","5911712",NA,"PDBC40544","648480","Present"
-"N-((3,3-Bis(ethylthio)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine","","","","","","","","","","","","","","","","","","","","N-((3,3-Bis(ethylthio)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine","","CCSC1(CCN(C1)C=NC(C)(C)C)SCC","PUBWCXZGLRRLSD-UHFFFAOYSA-N","370807",NA,"PDBC40545","644329","Present"
-"N-((3-(2-Bromo-1-methoxyethyl)-1-(phenylsulfonyl)-1H-indol-2-yl)(3,4-dimethoxyphenyl)methyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[[1-(Benzenesulfonyl)-3-(2-bromo-1-methoxyethyl)indol-2-yl]-(3,4-dimethoxyphenyl)methyl]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC(=C(C=C2)OC)OC)C3=C(C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C(CBr)OC","RUKPFISHIWBLSI-UHFFFAOYSA-N","386336",NA,"PDBC40546","678118","Present"
-"N-((3-Amino-2-phenyl-6-quinoxalinyl)methyl)-N-(2-propynyl)-N-(3,4,5-trimethoxyphenyl)amine","","","","","","","","","","","","","","","","","","","","N-((3-Amino-2-phenyl-6-quinoxalinyl)methyl)-N-(2-propynyl)-N-(3,4,5-trimethoxyphenyl)amine","","COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=C(C(=N3)N)C4=CC=CC=C4","WHVVHMOMXBKAGA-UHFFFAOYSA-N","376136",NA,"PDBC40547","656629","Present"
-"N-((3-Benzoyl-2-thioxo-1-imidazolidinyl)carbothioyl)-N-phenylbenzamide","","","","","","","","","","","","","","","","","","","","N-((3-Benzoyl-2-thioxo-1-imidazolidinyl)carbothioyl)-N-phenylbenzamide","","C1CN(C(=S)N1C(=O)C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CC=C4","WZBTWOFKZNYBSD-UHFFFAOYSA-N","396960",NA,"PDBC40548","704180","Present"
-"N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline","","","","","","","","","","","","","","","","","","","","N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline","","COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","ZIXOURDPCCCQII-UHFFFAOYSA-N","373187",NA,"PDBC40549","649151","Present"
-"N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-4-fluoro-N-(2-propynyl)aniline","","","","","","","","","","","","","","","","","","","","N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-4-fluoro-N-(2-propynyl)aniline","","C#CCN(CC1=CC2=C(C=C1)N=C(C(=N2)Cl)C3=CC=CC=C3)C4=CC=C(C=C4)F","UROGRUMXMWCOJF-UHFFFAOYSA-N","392818",NA,"PDBC40550","693774","Present"
-"N-((3-Methyl-1,2,4-oxadiazol-5-yl)methoxy)ethanimidamide","","","","","","","","","","","","","","","","","","","","N-((3-Methyl-1,2,4-oxadiazol-5-yl)methoxy)ethanimidamide","","CC1=NOC(=N1)CON=C(C)N","FUBRAMFBZGPINB-UHFFFAOYSA-N","6421772",NA,"PDBC40551","660227","Present"
-"N-((4,4-Bis(ethylthio)-2-(4-methoxybenzyl)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine","","","","","","","","","","","","","","","","","","","","N-((4,4-Bis(ethylthio)-2-(4-methoxybenzyl)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine","","CCSC1(CC(N(C1)C=NC(C)(C)C)CC2=CC=C(C=C2)OC)SCC","CYUAVZNVMAHTLK-UHFFFAOYSA-N","370806",NA,"PDBC40552","644328","Present"
-"N-((4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl)benzenecarbothioamide","","","","","","","","","","","","","","","","","","","","N-((4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl)benzenecarbothioamide","","CC1(CC(=C(C(=O)C1)C=NC(=S)C2=CC=CC=C2)O)C","FOVDIPMQJHZVQJ-UHFFFAOYSA-N","135409052",NA,"PDBC40553","657421","Present"
-"N-((4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl)isonicotinamide","","","","","","","","","","","","","","","","","","","","QJASBSPZZXRURZ-UHFFFAOYSA-N","","CC1(CC(=C(C(=O)C1)C=NC(=O)C2=CC=NC=C2)O)C","RGABVUVXNMJEHW-UHFFFAOYSA-N","135409055",NA,"PDBC40554","657439","Present"
-"N-((4-((10-(4-((Acetyl(2-phenylethyl)amino)(cyano)methyl)phenoxy)decyl)oxy)phenyl)(cyano)methyl)-N-(2-phenylethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[[4-[10-[4-[[Acetyl(2-phenylethyl)amino]-cyanomethyl]phenoxy]decoxy]phenyl]-cyanomethyl]-N-(2-phenylethyl)acetamide","","CC(=O)N(CCC1=CC=CC=C1)C(C#N)C2=CC=C(C=C2)OCCCCCCCCCCOC3=CC=C(C=C3)C(C#N)N(CCC4=CC=CC=C4)C(=O)C","BZIDIVKNMHYWSO-UHFFFAOYSA-N","387721",NA,"PDBC40555","681750","Present"
-"N-((4-((Benzoyl(propyl)amino)(cyano)methyl)phenyl)(cyano)methyl)-N-propylbenzamide","","","","","","","","","","","","","","","","","","","","N-((4-((Benzoyl(propyl)amino)(cyano)methyl)phenyl)(cyano)methyl)-N-propylbenzamide","","CCCN(C(C#N)C1=CC=C(C=C1)C(C#N)N(CCC)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","OFOKBZWIWDQVOD-UHFFFAOYSA-N","387720",NA,"PDBC40556","681749","Present"
-"N-((4-((Dimethylamino)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)-N,N-dimethylamine","","","","","","","","","","","","","","","","","","","","N-((4-((Dimethylamino)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)-N,N-dimethylamine","","CC1=C(C(=C(N1)C)CN(C)C)CN(C)C","IWCTUQVJGXUFIL-UHFFFAOYSA-N","229022",NA,"PDBC40557","22368","Present"
-"N-((4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)glutamic acid","","","","","","","","","","","","","","","","","","","","N-((4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)glutamic acid","","CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)C(=O)NC(CCC(=O)O)C(=O)O","IRWDTEWCJYOAMI-UHFFFAOYSA-N","135444429",NA,"PDBC40558","673107","Present"
-"N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-1-naphthamide","","","","","","","","","","","","","","","","","","","","N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-1-naphthamide","","CC1=CC(=O)NC(=N1)CNC(=O)C2=CC=CC3=CC=CC=C32","MHIUKPRWJLHSHG-UHFFFAOYSA-N","135503467",NA,"PDBC40559","636376","Present"
-"N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-2-naphthamide","","","","","","","","","","","","","","","","","","","","N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-2-naphthamide","","CC1=CC(=O)NC(=N1)CNC(=O)C2=CC3=CC=CC=C3C=C2","VUMOBSVPXYVXKX-UHFFFAOYSA-N","135494920",NA,"PDBC40560","636372","Present"
-"N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-2-phenylacetamide","","CC1=CC(=O)NC(=N1)CNC(=O)CC2=CC=CC=C2","GUAGSEUSAJWBEB-UHFFFAOYSA-N","135503465",NA,"PDBC40561","636339","Present"
-"N-((4-Methyl-1-piperazinyl)carbothioyl)-N-phenyl-2-thiophenecarboxamide","","","","","","","","","","","","","","","","","","","","N-((4-Methyl-1-piperazinyl)carbothioyl)-N-phenyl-2-thiophenecarboxamide","","CN1CCN(CC1)C(=S)N(C2=CC=CC=C2)C(=O)C3=CC=CS3","HMGGNKKCJIPZTP-UHFFFAOYSA-N","376050",NA,"PDBC40562","656449","Present"
-"N-((4-Methyl-3-oxo-2-morpholinyl)(phenyl)methyl)benzamide","","","","","","","","","","","","","","","","","","","","N-((4-Methyl-3-oxo-2-morpholinyl)(phenyl)methyl)benzamide","","CN1CCOC(C1=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3","UFQBZUONJLRUPX-UHFFFAOYSA-N","374242",NA,"PDBC40563","651740","Present"
-"N-((5-Amino-4-cyano-1,3-oxazol-2-yl)methyl)acetamide","","","","","","","","","","","","","","","","","","","","N-((5-Amino-4-cyano-1,3-oxazol-2-yl)methyl)acetamide","","CC(=O)NCC1=NC(=C(O1)N)C#N","HNZHOONMJKYQQB-UHFFFAOYSA-N","389347",NA,"PDBC40564","685300","Present"
-"N-((6-(Aminomethyl)-6-(4-morpholinyl)bicyclo[3.1.0]hex-1-yl)methyl)aniline","","","","","","","","","","","","","","","","","","","","N-((6-(Aminomethyl)-6-(4-morpholinyl)bicyclo[3.1.0]hex-1-yl)methyl)aniline","","C1CC2C(C1)(C2(CN)N3CCOCC3)CNC4=CC=CC=C4","BXXYPDNFTDDLKA-UHFFFAOYSA-N","365585",NA,"PDBC40565","633384","Present"
-"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-octadecylthiourea","","","","","","","","","","","","","","","","","","","","N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-octadecylthiourea","","CCCCCCCCCCCCCCCCCCNC(=S)N=CC1=C(C=C(OC1=O)C)O","HAXRIUKKDXWGLU-SGWCAAJKSA-N","135409093",NA,"PDBC40566","657710","Present"
-"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-phenylthiourea","","","","","","","","","","","","","","","","","","","","N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-phenylthiourea","","CC1=CC(=C(C(=O)O1)C=NC(=S)NC2=CC=CC=C2)O","WWKSOQLEJQRSQH-OVCLIPMQSA-N","135409081",NA,"PDBC40567","657599","Present"
-"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)benzenecarbothioamide","","","","","","","","","","","","","","","","","","","","N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)benzenecarbothioamide","","CC1=CC(=C(C(=O)O1)C=NC(=S)C2=CC=CC=C2)O","IGKHSFVFZNWTIG-UHFFFAOYSA-N","135409091",NA,"PDBC40568","657706","Present"
-"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)ethanethioamide","","","","","","","","","","","","","","","","","","","","N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)ethanethioamide","","CC1=CC(=C(C(=O)O1)C=NC(=S)C)O","ZHQDXMWFCREZQB-UHFFFAOYSA-N","135409084",NA,"PDBC40569","657606","Present"
-"N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine","","","","","","","","","","","","","","","","","","","","N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine","","CC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2)O","MUJGCPFWXPVGGO-UHFFFAOYSA-N","5466064",NA,"PDBC40570","673342","Present"
-"N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)alanine","","","","","","","","","","","","","","","","","","","","N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)alanine","","CC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O","AWEFXECHEHYAIJ-UHFFFAOYSA-N","5466061",NA,"PDBC40571","673339","Present"
-"N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine","","","","","","","","","","","","","","","","","","","","N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine","","CC(C)C(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O","YOCIUTZYUSFEOO-UHFFFAOYSA-N","5466060",NA,"PDBC40572","673338","Present"
-"N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)alanine","","","","","","","","","","","","","","","","","","","","N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)alanine","","CC1=CC(=O)OC2=C1C=CC(=C2CNC(C)C(=O)O)O","PHJZJPUBGIRGCQ-UHFFFAOYSA-N","5466055",NA,"PDBC40573","673333","Present"
-"N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)phenylalanine","","","","","","","","","","","","","","","","","","","","N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)phenylalanine","","CC1=CC(=O)OC2=C1C=CC(=C2CNC(CC3=CC=CC=C3)C(=O)O)O","MRUNGDSDRLASQM-UHFFFAOYSA-N","5466056",NA,"PDBC40574","673334","Present"
-"N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)serine","","","","","","","","","","","","","","","","","","","","N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)serine","","CC1=CC(=O)OC2=C1C=CC(=C2CNC(CO)C(=O)O)O","IYOFCNNMOBCILN-UHFFFAOYSA-N","5466057",NA,"PDBC40575","673335","Present"
-"N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)threonine","","","","","","","","","","","","","","","","","","","","N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)threonine","","CC1=CC(=O)OC2=C1C=CC(=C2CNC(C(C)O)C(=O)O)O","KQDROOGGISNURM-UHFFFAOYSA-N","5466058",NA,"PDBC40576","673336","Present"
-"N-((9-Benzyl-1-methyl-9H-carbazol-3-yl)methyl)-4-methyl-N-(2-oxopropyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-((9-Benzyl-1-methyl-9H-carbazol-3-yl)methyl)-4-methyl-N-(2-oxopropyl)benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C(=C2)C)N(C4=CC=CC=C43)CC5=CC=CC=C5)CC(=O)C","VRSDBYQTAKMXJO-UHFFFAOYSA-N","372623",NA,"PDBC40577","648062","Present"
-"N-((9H-Fluoren-9-ylmethoxy)carbonyl)-S-(2,4,6-trimethoxybenzyl)cysteine","","","","","","","","","","","","","","","","","","","","N-((9H-Fluoren-9-ylmethoxy)carbonyl)-S-(2,4,6-trimethoxybenzyl)cysteine","","COC1=CC(=C(C(=C1)OC)CSCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC","RBRGDLFVCBTWNU-UHFFFAOYSA-N","379091",NA,"PDBC40578","663304","Present"
-"N-((Diphenylphosphoryl)(phenyl)methyl)-4-methylaniline","","","","","","","","","","","","","","","","","","","","N-((Diphenylphosphoryl)(phenyl)methyl)-4-methylaniline","","CC1=CC=C(C=C1)NC(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","PPVZOFNPKLWGOX-UHFFFAOYSA-N","385503",NA,"PDBC40579","676752","Present"
-"N-((Pentanoylamino)(trichloromethyl)-lambda~4~-sulfanylidene)benzamide","","","","","","","","","","","","","","","","","","","","N-((Pentanoylamino)(trichloromethyl)-lambda~4~-sulfanylidene)benzamide","","CCCCC(=O)NS(=NC(=O)C1=CC=CC=C1)C(Cl)(Cl)Cl","OYXPZEUTSDLDBK-UHFFFAOYSA-N","376815",NA,"PDBC40580","657932","Present"
-"N-((Z)-2-(1,3-Benzodioxol-5-yl)-1-{[2-(5-chloro-6-hydroxypyridazin-4-yl)hydrazino]carbonyl}vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-(1,3-Benzodioxol-5-yl)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide","","C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NNC3=C(C(=O)NN=C3)Cl)NC(=O)C4=CC=CC=C4","MCGFWYLCGWFIJW-ZSOIEALJSA-N","5775037",NA,"PDBC40581","657726","Present"
-"N-(.gamma.,.gamma.-Dimethylallyl)adenine","","","","","","","","","","","","","","","","","","","","N-(.gamma.,.gamma.-Dimethylallyl)adenine","","CC(=CCNC1=NC=NC2=C1NC=N2)C","HYVABZIGRDEKCD-UHFFFAOYSA-N","92180",NA,"PDBC40582","106958","Present"
-"N-(1',3,5(10)-Triene","","","","","","","","","","","","","","","","","","","","N-(1',2'-Dithiolanyl-3'-pentanonyl)-17-aminomethyl-3-met...","","CC12CCC3C(C1CCC2(CNC(=O)CCCCC4CCSS4)O)CCC5=C3C=CC(=C5)OC","ZKPBHABTXYVMJA-UHFFFAOYSA-N","24205539",NA,"PDBC40583","736123","Present"
-"N-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)O","DCVSNNYCVJWFPO-UHFFFAOYSA-N","389149",NA,"PDBC40584","684833","Present"
-"N-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-Tetradecahydroacridin-9-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-Tetradecahydroacridin-9-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide","","CC1=C(C(=S)NC(=O)N1)C(=O)NC2C3CCCCC3NC4C2CCCC4","ABTZKNNKLUKWHH-UHFFFAOYSA-N","3699385",NA,"PDBC40585","671853","Present"
-"N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide","","CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=CC=C4","PIDLHEGBDOTGSP-UHFFFAOYSA-N","369939",NA,"PDBC40586","642306","Present"
-"N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide","","","","","","","","","","","","","","","","","","","","N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide","","CCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O","DUAFXJAIKLLICE-UHFFFAOYSA-N","369945",NA,"PDBC40587","642312","Present"
-"N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide","","","","","","","","","","","","","","","","","","","","N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide","","CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","JHJCKKDPFRGDQP-UHFFFAOYSA-N","369950",NA,"PDBC40588","642317","Present"
-"N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)tricosanamide","","","","","","","","","","","","","","","","","","","","N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)tricosanamide","","CCCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","HMKHTSVGLSHMHH-UHFFFAOYSA-N","369953",NA,"PDBC40589","642320","Present"
-"N-(1,2-Diphenylethyl)-3-pyridinamine","","","","","","","","","","","","","","","","","","","","alpha-Phenyl-N-(3-pyridyl)-phenethylamine","","C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC3=CN=CC=C3","QAZHGSWEDVPGNN-UHFFFAOYSA-N","340020",NA,"PDBC40590","369294","Present"
-"N-(1,3,7-Tribromo-9H-fluoren-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1,3,7-Tribromo-9H-fluoren-2-yl)acetamide","","CC(=O)NC1=C(C=C2C(=C1Br)CC3=C2C=CC(=C3)Br)Br","IRQURCHUNXLBRB-UHFFFAOYSA-N","267219",NA,"PDBC40591","106360","Present"
-"N-(1,3-Benzodioxol-5-yl)-3-chlorofuro[2,3-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-(1,3-Benzodioxol-5-yl)-3-chlorofuro[2,3-b]quinolin-4-amine","","C1OC2=C(O1)C=C(C=C2)NC3=C4C(=COC4=NC5=CC=CC=C53)Cl","KTJMHRPUCZGHRH-UHFFFAOYSA-N","11595255",NA,"PDBC40592","727803","Present"
-"N-(1,3-Benzodioxol-5-yl)furo[2,3-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-(1,3-Benzodioxol-5-yl)furo[2,3-b]quinolin-4-amine","","C1OC2=C(O1)C=C(C=C2)NC3=C4C=COC4=NC5=CC=CC=C53","PNJWGZDYECNMMK-UHFFFAOYSA-N","11659481",NA,"PDBC40593","727805","Present"
-"N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)acetamide","","C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4","QIKBFMMXWUXFME-UHFFFAOYSA-N","356825",NA,"PDBC40594","614314","Present"
-"N-(1,3-Benzodioxol-5-ylmethylene)-3,4-dimethylaniline","","","","","","","","","","","","","","","","","","","","N-PIPERONYLIDENE-3,4-XYLIDINE","","CC1=C(C=C(C=C1)N=CC2=CC3=C(C=C2)OCO3)C","VDGKCGWQXUPNSS-UHFFFAOYSA-N","361086",NA,"PDBC40595","623891","Present"
-"N-(1,3-Benzothiazol-2-yl)-2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-(Benzo[d]thiazol-2-yl)-2-(3-(4-fluorophenyl)-6-oxo-5,6...","","C1CC(=O)N(N=C1C2=CC=C(C=C2)F)CC(=O)NC3=NC4=CC=CC=C4S3","FWKCAZLDTPBHLK-UHFFFAOYSA-N","155815055",NA,"PDBC40596","795935","Present"
-"N-(1,3-Benzothiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide","","","","","","","","","","","","","","","","","","","","N-(1,3-Benzothiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide","","COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)OCC(=O)NC4=NC5=CC=CC=C5S4)O2","RKGGPBYPVBTFKN-MTJSOVHGSA-N","45028678",NA,"PDBC40597","743690","Present"
-"N-(1,3-Benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(benzo[d]thiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphe...","","COC1=CC(=CC(=C1OC)OC)C2=CC(=NC3=CC(=NN23)C4=CC=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5","ZUGJZIHKHLLDGE-UHFFFAOYSA-N","71624130",NA,"PDBC40598","763635","Present"
-"N-(1,3-Benzothiazol-2-yl)-7-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(benzo[d]thiazol-2-yl)-7-(4-fluorophenyl)-2-phenylpyra...","","C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C(=O)NC4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)F","OUUZYPPEPPBCND-UHFFFAOYSA-N","71625913",NA,"PDBC40599","763669","Present"
-"N-(1,3-Benzothiazol-2-ylsulfanylmethyl)-N-cyclohexylcyclohexanamine","","","","","","","","","","","","","","","","","","","","N-((benzo[d]thiazol-2-ylthio)methyl)-N-cyclohexylcyclohe...","","C1CCC(CC1)N(CSC2=NC3=CC=CC=C3S2)C4CCCCC4","WSADMJNRWCWRJT-UHFFFAOYSA-N","234404",NA,"PDBC40600","34240","Present"
-"N-(1,3-Benzoxazol-2-yl)-N-(4-methyl-6-phenyl-2-pyrimidinyl)amine","","","","","","","","","","","","","","","","","","","","N-(1,3-Benzoxazol-2-yl)-N-(4-methyl-6-phenyl-2-pyrimidinyl)amine","","CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3O2)C4=CC=CC=C4","NLQVIHPUACLICU-UHFFFAOYSA-N","369579",NA,"PDBC40601","641448","Present"
-"N-(1,3-Dibromo-5-hydroxy-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-(1,3-Dibromo-5-hydroxy-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)-2,2,2-trifluoroacetamide","","C1(C(C(=O)C2=C(SC(=C21)Br)Br)O)NC(=O)C(F)(F)F","NTDRHDWPJJMJNF-UHFFFAOYSA-N","378809",NA,"PDBC40602","662127","Present"
-"N-(1,3-Dichloro-7-nitro-9H-fluoren-2-yl)formamide","","","","","","","","","","","","","","","","","","","","N-(1,3-Dichloro-7-nitro-9H-fluoren-2-yl)formamide","","C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC(=C(C(=C31)Cl)NC=O)Cl","GJFZJSMAFTXMPI-UHFFFAOYSA-N","259241",NA,"PDBC40603","88971","Present"
-"N-(1,3-Dicyclohexyl-4-(cyclohexylimino)-1,3-diazetidin-2-ylidene)cyclohexanamine","","","","","","","","","","","","","","","","","","","","N-(1,3-Dicyclohexyl-4-(cyclohexylimino)-1,3-diazetidin-2-ylidene)cyclohexanamine","","C1CCC(CC1)N=C2N(C(=NC3CCCCC3)N2C4CCCCC4)C5CCCCC5","LRPQGJDBBJVAQC-UHFFFAOYSA-N","373977",NA,"PDBC40604","651009","Present"
-"N-(1,3-Dihydro-1-methyl-3-(phenylsulfonyl)-2H-benzimidazol-2-ylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(1,3-Dihydro-1-methyl-3-(phenylsulfonyl)-2H-benzimidazol-2-ylidene)benzenesulfonamide","","CN1C2=CC=CC=C2N(C1=NS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","ZRXATGJHZBPJSG-QZQOTICOSA-N","9554122",NA,"PDBC40605","690404","Present"
-"N-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylmethylene)-1-methoxy-2-methyl-2-propanamine","","","","","","","","","","","","","","","","","","","","N-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylmethylene)-1-methoxy-2-methyl-2-propanamine","","CC(C)(COC)N=CN1CC2=CC3=CC=CC=C3N=C2C1","JYKILSRSBGVXKE-UHFFFAOYSA-N","370796",NA,"PDBC40606","644318","Present"
-"N-(1,3-Dihydroxy-2-methylpropan-2-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(1,3-Dihydroxy-2-methylpropan-2-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide","","CC1=C(C(=S)NC(=O)N1)C(=O)NC(C)(CO)CO","BGKHHYHCKKFBCR-UHFFFAOYSA-N","1825832",NA,"PDBC40607","666978","Present"
-"N-(1,3-Dioxoisoindol-2-yl)-2-[2-[(1,3-dioxoisoindol-2-yl)carbamoyl]anilino]benzamide","","","","","","","","","","","","","","","","","","","","N-(1,3-Dioxoisoindol-2-yl)-2-[2-[(1,3-dioxoisoindol-2-yl)carbamoyl]anilino]benzamide","","C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)C3=CC=CC=C3NC4=CC=CC=C4C(=O)NN5C(=O)C6=CC=CC=C6C5=O","LDPATRVCROBMIJ-UHFFFAOYSA-N","394752",NA,"PDBC40608","698455","Present"
-"N-(1,3-e]-1,2,4-Thiadiazin-3-yl)-l-trytophan methyl ester","","","","","","","","","","","","","","","","","","","","N-(1,1-Dioxo-2-phenyl-2H-pyrido[4,3-e]-1,2,4-thiadiazin-...","","COC(=O)C(CC1=CNC2=CC=CC=C21)N=C3NC4=C(C=NC=C4)S(=O)(=O)N3C5=CC=CC=C5","WEEOAGACJZAGOW-UHFFFAOYSA-N","135426718",NA,"PDBC40609","710903","Present"
-"N-(1,5-Dihydrazinyl-1,5-dioxopentan-2-yl)-4-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(1,5-Dihydrazinyl-1,5-dioxopentan-2-yl)-4-methoxybenzenesulfonamide","","COC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NN)C(=O)NN","HAGNCKFABHRCKU-UHFFFAOYSA-N","393740",NA,"PDBC40610","696265","Present"
-"N-(1,6-Dihydro-4H-cyclopenta[c]thien-4-yl)-4-(1H-indol-3-yl)-butanamide","","","","","","","","","","","","","","","","","","","","N-(1,3-Dibromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4...","","C1C(C2=C(SC(=C2C1=O)Br)Br)NC(=O)CCCC3=CNC4=CC=CC=C43","LUPIQGLOJCOYND-UHFFFAOYSA-N","24205884",NA,"PDBC40611","737073","Present"
-"N-(1-(((3,4-Dichloroanilino)carbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-2-methylpropanimidoyl chloride","","","","","","","","","","","","","","","","","","","","(1Z)-N-[2-[(3,4-Dichlorophenyl)carbamoylamino]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2-methylpropanimidoyl chloride","","CC(C)C(=NOC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC(=C(C=C1)Cl)Cl)Cl","QGYVDWPILQOUST-KALUYTGESA-N","9556182",NA,"PDBC40612","671971","Present"
-"N-(1-(((3,5-Bis(((2-((2,3-dihydroxybenzoyl)amino)-4-methylpentanoyl)amino)methyl)benzyl)amino)carbonyl)-3-methylbutyl)-2,3-dihydroxybenzamide","","","","","","","","","","","","","","","","","","","","N-[1-[[3,5-Bis[[[2-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoyl]amino]methyl]phenyl]methylamino]-4-methyl-1-oxopentan-2-yl]-2,3-dihydroxybenzamide","","CC(C)CC(C(=O)NCC1=CC(=CC(=C1)CNC(=O)C(CC(C)C)NC(=O)C2=C(C(=CC=C2)O)O)CNC(=O)C(CC(C)C)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O","WAGPHVJDKFPWTF-UHFFFAOYSA-N","361469",NA,"PDBC40613","624497","Present"
-"N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-(2-hydroxyphenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-(2-hydroxyphenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C(=O)NC3=CC=CC=C3C(=O)NN","LIJLCTNPTCDAMU-RGEXLXHISA-N","6477544",NA,"PDBC40614","686420","Present"
-"N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-phenylvinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-phenylvinyl)benzamide","","C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)NN)NC(=O)C3=CC=CC=C3","AHWQESFAFKESIR-HKWRFOASSA-N","5917746",NA,"PDBC40615","686419","Present"
-"N-(1-((3-Ethyl-3-oxetanyl)methoxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(1-((3-Ethyl-3-oxetanyl)methoxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide","","CCC(=O)NC(C(F)(F)F)(C(F)(F)F)OCC1(COC1)CC","SUGCEXIULFFAEY-UHFFFAOYSA-N","383579",NA,"PDBC40616","671997","Present"
-"N-(1-((Allyloxy)methyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-((Allyloxy)methyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide","","C=CCOCN1C=CC(=NC1=O)NC(=O)C2=CC=CC=C2","KPFIMWWLQUXENC-UHFFFAOYSA-N","376602",NA,"PDBC40617","657613","Present"
-"N-(1-((Dibenzylamino)carbonyl)-2-hydroxypropyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-((Dibenzylamino)carbonyl)-2-hydroxypropyl)benzamide","","CC(C(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O","NTRFDQZXPIFWID-UHFFFAOYSA-N","362247",NA,"PDBC40618","625851","Present"
-"N-(1-(1,3-Benzothiazol-2-YL)-2-(2,4-dichlorophenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1,3-Benzothiazol-2-YL)-2-(2,4-dichlorophenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3","RGEMVGXMGBLKBI-XDHOZWIPSA-N","5386906",NA,"PDBC40619","618621","Present"
-"N-(1-(1,3-Benzothiazol-2-yl)-2-(4-(2-(1,3-benzothiazol-2-yl)-2-(benzoylamino)vinyl)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-2-[4-[(Z)-2-Benzamido-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CC=C5)C6=NC7=CC=CC=C7S6","OZMRFBNVVNGYGK-PUHRYQSPSA-N","5388019",NA,"PDBC40620","630889","Present"
-"N-(1-(1,3-Benzothiazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1,3-Benzothiazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3","GLJXGCZOWVQSRB-RGEXLXHISA-N","5387541",NA,"PDBC40621","624447","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(1,3-benzodioxol-5-yl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(1,3-benzodioxol-5-yl)vinyl)benzamide","","C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=CC=CC=C4N3)NC(=O)C5=CC=CC=C5","HVXKWYMQSIPYSG-UNOMPAQXSA-N","5388014",NA,"PDBC40622","630883","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(2,5-dichlorophenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(2,5-dichlorophenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=CC(=C2)Cl)Cl)C3=NC4=CC=CC=C4N3","JKNKWFNUDPQNQO-MOSHPQCFSA-N","5387522",NA,"PDBC40623","624425","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(2-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(2-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2[N+](=O)[O-])C3=NC4=CC=CC=C4N3","UKWPZVCJZGIJFG-RGEXLXHISA-N","5387538",NA,"PDBC40624","624443","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(2-hydroxy-1-naphthyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(2-hydroxy-1-naphthyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=CC3=CC=CC=C32)O)C4=NC5=CC=CC=C5N4","PQEATNHQSSUURU-KQWNVCNZSA-N","135429953",NA,"PDBC40625","624445","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(2-hydroxyphenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(2-hydroxyphenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C3=NC4=CC=CC=C4N3","YWGFYARYDDAFHD-RGEXLXHISA-N","135429952",NA,"PDBC40626","624444","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(2-methoxyphenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(2-methoxyphenyl)vinyl)benzamide","","COC1=CC=CC=C1C=C(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4","BWMXBPDFIMVACS-HKWRFOASSA-N","5387546",NA,"PDBC40627","624452","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)vinyl)benzamide","","COC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4)OC","NLKKHCJNRCVFBB-ZHZULCJRSA-N","5387470",NA,"PDBC40628","623907","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(4-(3,4-dichlorophenoxy)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(4-(3,4-dichlorophenoxy)phenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)OC3=CC(=C(C=C3)Cl)Cl)C4=NC5=CC=CC=C5N4","LHYLLSRHTQPHFX-QQXSKIMKSA-N","5387533",NA,"PDBC40629","624437","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3","RUMHRQWAARUWMQ-ZHZULCJRSA-N","5388016",NA,"PDBC40630","630885","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(4-bromophenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(4-bromophenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4N3","YBFRETBEHFICDR-ZHZULCJRSA-N","5387537",NA,"PDBC40631","624442","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3","RVOAULNPGMOTQQ-ZHZULCJRSA-N","5387549",NA,"PDBC40632","624455","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(4-fluorophenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(4-fluorophenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3","ZGMYHLLZBIZPES-ZHZULCJRSA-N","5387550",NA,"PDBC40633","624456","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(4-isopropylphenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(4-isopropylphenyl)vinyl)benzamide","","CC(C)C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4","CBILBBPCEMGOCS-KQWNVCNZSA-N","5387545",NA,"PDBC40634","624451","Present"
-"N-(1-(1H-Benzimidazol-2-yl)-2-(4-methylphenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Benzimidazol-2-yl)-2-(4-methylphenyl)vinyl)benzamide","","CC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4","JBXRJXORKDOBEU-QNGOZBTKSA-N","5388012",NA,"PDBC40635","630881","Present"
-"N-(1-(1H-Imidazol-4-ylmethyl)-2-oxo-2-(1-pyrrolidinyl)ethyl)cyclopentanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(1-(1H-Imidazol-4-ylmethyl)-2-oxo-2-(1-pyrrolidinyl)ethyl)cyclopentanecarboxamide","","C1CCC(C1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3","BFXBKZKSACANKU-UHFFFAOYSA-N","381835",NA,"PDBC40636","668908","Present"
-"N-(1-(2-(Aminocarbothioyl)carbohydrazonoyl)-4-isoquinolinyl)-N-ethylacetamide","","","","","","","","","","","","","","","","","","","","4-(N-acetyl-N-ethylamino)isoquinoline-1-carboxaldehyde t...","","CCN(C1=CN=C(C2=CC=CC=C21)C=NNC(=S)N)C(=O)C","WUJQBTMYHQXKTJ-QGMBQPNBSA-N","9571612",NA,"PDBC40637","687305","Present"
-"N-(1-(2-(Dimethylamino)ethyl)-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-(2-(Dimethylamino)ethyl)-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-yl)acetamide","","CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C)CCN(C)C)C","KUTCXHDLZMOLIT-UHFFFAOYSA-N","393680",NA,"PDBC40638","696056","Present"
-"N-(1-(2-Hydroxyethyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(2-Hydroxyethyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CCO","LEWNNNUHFLWVBM-UHFFFAOYSA-N","367642",NA,"PDBC40639","637520","Present"
-"N-(1-(3,4-Dimethoxybenzoyl)propyl)-2,2,2-trifluoro-N-(1-phenylethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-(3,4-Dimethoxybenzoyl)propyl)-2,2,2-trifluoro-N-(1-phenylethyl)acetamide","","CCC(C(=O)C1=CC(=C(C=C1)OC)OC)N(C(C)C2=CC=CC=C2)C(=O)C(F)(F)F","QUNKMUPMBINORL-UHFFFAOYSA-N","382192",NA,"PDBC40640","669651","Present"
-"N-(1-(3-(2,4-Bis(hydroxy(oxido)amino)anilino)-4-oxo-3,4-dihydro-2-quinazolinyl)-2-(4-chlorophenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-2-(4-Chlorophenyl)-1-[3-(2,4-dinitroanilino)-4-oxoquinazolin-2-yl]ethenyl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4C(=O)N3NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","HXXUZVOFQNFAND-PCLIKHOPSA-N","5468423",NA,"PDBC40641","669994","Present"
-"N-(1-(3-Carbamoyl-4-cyclohexylmethoxy)phenyl)ethyl)-4-((N'-m ethyl-N'-4-chlorobutyl-O'-5-nitrofurfurylphosphonamido)diflu oromethyl)phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(1-(3-carbamoyl-4-cyclohexylmethoxy)phenyl)ethyl)-4-((...","","CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)CC3=CC=C(C=C3)C(F)(F)P(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-]","LBYGSHAYFKPDPI-UHFFFAOYSA-N","24205340",NA,"PDBC40642","735203","Present"
-"N-(1-(3-Thienyl)ethyl)-4,5-dihydro-1,3-oxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(1-(3-Thienyl)ethyl)-4,5-dihydro-1,3-oxazol-2-amine","","CC(C1=CSC=C1)NC2=NCCO2","JCKVHXXVMJOIIV-UHFFFAOYSA-N","379614",NA,"PDBC40643","664320","Present"
-"N-(1-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)butanamide","","","","","","","","","","","","","","","","","","","","N-[2-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1,1,1,3,3,3-hexafluoropropan-2-yl]butanamide","","CCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C","HJTYGWVWKUELMH-UHFFFAOYSA-N","384764",NA,"PDBC40644","675200","Present"
-"N-(1-(4-(2-(1-Pyrrolidinyl)diazenyl)phenyl)ethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-(4-(2-(1-Pyrrolidinyl)diazenyl)phenyl)ethyl)acetamide","","CC(C1=CC=C(C=C1)N=NN2CCCC2)NC(=O)C","ZEJVOSLKTIHYOO-UHFFFAOYSA-N","389040",NA,"PDBC40645","684586","Present"
-"N-(1-(4-(Aminosulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide","","","","","","","","","","","","","","","","","","","","3,3,3-Trifluoro-N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]-2-(trifluoromethyl)propanamide","","C1=CC(=CC=C1NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F)S(=O)(=O)N","ZENVHWHAHYMLHK-UHFFFAOYSA-N","383668",NA,"PDBC40646","672086","Present"
-"N-(1-(5-(Acetylamino)-4-methyl-3-cyclohexen-1-yl)-1-methylethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-(5-(Acetylamino)-4-methyl-3-cyclohexen-1-yl)-1-methylethyl)acetamide","","CC1=CCC(CC1NC(=O)C)C(C)(C)NC(=O)C","SQPJPALCIMBDGG-UHFFFAOYSA-N","375998",NA,"PDBC40647","656378","Present"
-"N-(1-(5-(Hydroxy(oxido)amino)-1H-benzimidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(5-(Hydroxy(oxido)amino)-1H-benzimidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]","RKPSZHPBHMZRQY-NDENLUEZSA-N","5387526",NA,"PDBC40648","624430","Present"
-"N-(1-(5-(Hydroxyimino)-4-methyl-3-cyclohexen-1-yl)-1-methylethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(5-(Hydroxyimino)-4-methyl-3-cyclohexen-1-yl)-1-methylethyl)benzamide","","CC1=CCC(CC1=NO)C(C)(C)NC(=O)C2=CC=CC=C2","MOJSZOCWUQBJQM-CYVLTUHYSA-N","5849055",NA,"PDBC40649","656383","Present"
-"N-(1-(5-Chloro-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)vinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-(5-Chloro-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)vinyl)acetamide","","CC(=O)NC(=CC1=CC(=CC=C1)OC)C2=NC3=C(N2)C=C(C=C3)Cl","FMGOXFCQTAUAHH-MFOYZWKCSA-N","5387511",NA,"PDBC40650","624413","Present"
-"N-(1-(5-Chloro-1H-benzimidazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(5-Chloro-1H-benzimidazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(N3)C=C(C=C4)Cl","BAIPJRVPJMGIOF-NDENLUEZSA-N","5387521",NA,"PDBC40651","624424","Present"
-"N-(1-(6,11-Dioxo-6,11-dihydro-1H-anthra[1,2-d]imidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","Benzamide, N-[1-(6,11-dihydro-6,11-dioxo-1H-anthra[1,2-d...","","COC1=CC(=CC(=C1OC)OC)C=C(C2=NC3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)NC(=O)C6=CC=CC=C6","UTXKAEJVXOAKIN-IWIPYMOSSA-N","135429949",NA,"PDBC40652","624431","Present"
-"N-(1-(6,11-Dioxo-6,11-dihydro-3H-anthra[1,2-d]imidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-(6,11-Dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C(N3)C=CC5=C4C(=O)C6=CC=CC=C6C5=O","YFWKBDJRGLXKSU-JLPGSUDCSA-N","5387516",NA,"PDBC40653","624418","Present"
-"N-(1-(6-(Hydroxy(oxido)amino)-1H-benzimidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(6-(Hydroxy(oxido)amino)-1H-benzimidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide","","COC1=CC(=CC(=C1OC)OC)C=C(C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4","CEXWZNYRQWATKW-JAIQZWGSSA-N","5387534",NA,"PDBC40654","624438","Present"
-"N-(1-(6-Chloro-1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(6-Chloro-1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=CC(=C2)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)Cl","LHWCSOURZKUQKJ-JAIQZWGSSA-N","5387471",NA,"PDBC40655","623908","Present"
-"N-(1-(6-Chloro-1H-benzimidazol-2-yl)-2-(2-methoxyphenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(6-Chloro-1H-benzimidazol-2-yl)-2-(2-methoxyphenyl)vinyl)benzamide","","COC1=CC=CC=C1C=C(C2=NC3=C(N2)C=C(C=C3)Cl)NC(=O)C4=CC=CC=C4","JJEGKEGLGMYUDF-MOSHPQCFSA-N","5387544",NA,"PDBC40656","624450","Present"
-"N-(1-(6-Hydroxy-2-mercapto-7H-purin-8-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(6-Hydroxy-2-mercapto-7H-purin-8-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C(N3)C(=O)NC(=S)N4","GGIBOCMTZLLFAY-UVTDQMKNSA-N","6477033",NA,"PDBC40657","623906","Present"
-"N-(1-(6-Hydroxy-2-mercapto-9H-purin-8-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(6-Hydroxy-2-mercapto-9H-purin-8-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(N3)C(=O)NC(=S)N4","JOHWGEPCKGADCM-UVTDQMKNSA-N","5387513",NA,"PDBC40658","624415","Present"
-"N-(1-(9H-Purin-8-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(9H-Purin-8-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide","","COC1=CC(=CC(=C1OC)OC)C=C(C2=NC3=NC=NC=C3N2)NC(=O)C4=CC=CC=C4","ONXPWLIOHMGVLU-SXGWCWSVSA-N","5387524",NA,"PDBC40659","624427","Present"
-"N-(1-(Dibenzylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Dibenzylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide","","C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","PPMXIHQVVCPMFW-UHFFFAOYSA-N","382501",NA,"PDBC40660","670107","Present"
-"N-(1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide","","C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","BTDQBMHUARPTSB-UHFFFAOYSA-N","382505",NA,"PDBC40661","670111","Present"
-"N-(1-(Phenylsulfonyl)-1H-benzimidazol-2-yl)-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(1-(Phenylsulfonyl)-1H-benzimidazol-2-yl)-benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4","FSOPEDWBLVBRSG-UHFFFAOYSA-N","391370",NA,"PDBC40662","690405","Present"
-"N-(1-Adamantyl)-1-(2-nitrophenyl)methanimine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-1-(2-nitrophenyl)methanimine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[N+](=O)[O-]","NLCWOZBFKBLSKH-UHFFFAOYSA-N","364589",NA,"PDBC40663","631079","Present"
-"N-(1-Adamantyl)-1-(3-nitrophenyl)methanimine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-1-(3-nitrophenyl)methanimine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)[N+](=O)[O-]","RWMVKKOPISOYEP-UHFFFAOYSA-N","364590",NA,"PDBC40664","631080","Present"
-"N-(1-Adamantyl)-1-(4-nitrophenyl)methanimine","","","","","","","","","","","","","","","","","","","","F1556-0077","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)[N+](=O)[O-]","AKPYBCMNDWXYSG-UHFFFAOYSA-N","364591",NA,"PDBC40665","631081","Present"
-"N-(1-Adamantyl)-2,4-dioxo-4-phenylbutanamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-2,4-dioxo-4-phenylbutanamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)CC(=O)C4=CC=CC=C4","MOBFLLZDKCFCSW-UHFFFAOYSA-N","366974",NA,"PDBC40666","636136","Present"
-"N-(1-Adamantyl)-2-(1,3-benzothiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-2-(1,3-benzothiazol-2-yl)acetamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)CC4=NC5=CC=CC=C5S4","DFDFICVLJMEZAJ-UHFFFAOYSA-N","358480",NA,"PDBC40667","618488","Present"
-"N-(1-Adamantyl)-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Br","VINBWTWPUKJDOA-UHFFFAOYSA-N","374148",NA,"PDBC40668","651605","Present"
-"N-(1-Adamantyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide","","COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)NC34CC5CC(C3)CC(C5)C4","NJSPNPARGYCXSG-UHFFFAOYSA-N","389766",NA,"PDBC40669","686362","Present"
-"N-(1-Adamantyl)-2-(cyanoamino)-5-methyl-6-propyl-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-2-(cyanoamino)-5-methyl-6-propyl-4-pyrimidinecarboxamide","","CCCC1=C(C(=NC(=N1)NC#N)C(=O)NC23CC4CC(C2)CC(C4)C3)C","SVKWMZWEIMAQAB-UHFFFAOYSA-N","365045",NA,"PDBC40670","632003","Present"
-"N-(1-Adamantyl)-2-[3-[2-(1-adamantylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-2-[3-[2-(1-adamantylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C5=CC=CC=C5N(C4=N)CC(=O)NC67CC8CC(C6)CC(C8)C7","MIPWDTYHLMYPFU-UHFFFAOYSA-N","374152",NA,"PDBC40671","651609","Present"
-"N-(1-Adamantyl)-2-imino-8-methoxychromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-2-imino-8-methoxychromene-3-carboxamide","","COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4","XFAVPASSTZVDQD-UHFFFAOYSA-N","397089",NA,"PDBC40672","704402","Present"
-"N-(1-Adamantyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)CCC4=NC(=S)NN4","YKWRVLMSLLDHPR-UHFFFAOYSA-N","3004075",NA,"PDBC40673","625827","Present"
-"N-(1-Adamantyl)-3-amino-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-3-amino-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)C4=[N+](C5=CC=CC=C5[N+](=C4N)[O-])[O-]","QWNNKRJQLDHOAJ-UHFFFAOYSA-N","135503386",NA,"PDBC40674","621501","Present"
-"N-(1-Adamantyl)-3-cyano-2-((hydrazino(oxo)acetyl)hydrazono)-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-3-cyano-2-((hydrazino(oxo)acetyl)hydrazono)-3-phenylpropanamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)C(=NNC(=O)C(=O)NN)C(C#N)C4=CC=CC=C4","UQHSDYKSAAWQDB-IMRQLAEWSA-N","6387240",NA,"PDBC40675","632009","Present"
-"N-(1-Adamantyl)-3-methyl-2,5-dioxooctanamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-3-methyl-2,5-dioxooctanamide","","CCCC(=O)CC(C)C(=O)C(=O)NC12CC3CC(C1)CC(C3)C2","WDNIRTXOFGWTEX-UHFFFAOYSA-N","366644",NA,"PDBC40676","635319","Present"
-"N-(1-Adamantyl)-4,6-dichloro-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-4,6-dichloro-1,3,5-triazin-2-amine","","C1C2CC3CC1CC(C2)(C3)NC4=NC(=NC(=N4)Cl)Cl","IPMAYRSAULHSBP-UHFFFAOYSA-N","394864",NA,"PDBC40677","698953","Present"
-"N-(1-Adamantyl)-4-(2-hydroxyanilino)-2-oxo-4-phenyl-3-butenamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-4-(2-hydroxyanilino)-2-oxo-4-phenyl-3-butenamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C=C(C4=CC=CC=C4)NC5=CC=CC=C5O","MHDXCSDIZXPUNR-XKZIYDEJSA-N","5468018",NA,"PDBC40678","662433","Present"
-"N-(1-Adamantyl)-4-(2-methoxyanilino)-2-oxo-4-phenyl-3-butenamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-4-(2-methoxyanilino)-2-oxo-4-phenyl-3-butenamide","","COC1=CC=CC=C1NC(=CC(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5","CRAJLCZRRSWYFN-UCQKPKSFSA-N","5468019",NA,"PDBC40679","662434","Present"
-"N-(1-Adamantyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5","CPJXGSSAFOBYDR-UHFFFAOYSA-N","393096",NA,"PDBC40680","694480","Present"
-"N-(1-Adamantyl)-4-[(4-amino-8-hydroxy-2-iminopteridin-6-yl)methyl-methylamino]benzamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-4-[(4-amino-8-hydroxy-2-iminopteridin-6-yl)methyl-methylamino]benzamide","","CN(CC1=CN(C2=NC(=N)N=C(C2=N1)N)O)C3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5","NWYMAUAMWDLWDQ-UHFFFAOYSA-N","3706048",NA,"PDBC40681","694481","Present"
-"N-(1-Adamantyl)-5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinecarboxamide","","CC1=CN(C(=O)NC1=O)C(=O)NC23CC4CC(C2)CC(C4)C3","ZISBOQPINIUFKF-UHFFFAOYSA-N","389361",NA,"PDBC40682","685406","Present"
-"N-(1-Adamantyl)-6-amino-9H-purine-9-carboxamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-6-amino-9H-purine-9-carboxamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)N4C=NC5=C(N=CN=C54)N","KMMRHEDXVKAPHE-UHFFFAOYSA-N","389362",NA,"PDBC40683","685407","Present"
-"N-(1-Adamantyl)-6-chloropurine-9-carboxamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-6-chloropurine-9-carboxamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)N4C=NC5=C4N=CN=C5Cl","KNNMUTUOWKLLJL-UHFFFAOYSA-N","400163",NA,"PDBC40684","711663","Present"
-"N-(1-Adamantyl)-9-[[3-(chloromethyl)phenyl]methyl]purin-6-amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-9-[[3-(chloromethyl)phenyl]methyl]purin-6-amine","","C1C2CC3CC1CC(C2)(C3)NC4=C5C(=NC=N4)N(C=N5)CC6=CC(=CC=C6)CCl","FNRJUVSPIVSVBE-UHFFFAOYSA-N","24205047",NA,"PDBC40685","734082","Present"
-"N-(1-Adamantyl)-N'-(2,4-bis(hydroxy(oxido)amino)phenyl)-3-bromo-2,4-dioxo-4-phenylbutanehydrazonamide","","","","","","","","","","","","","","","","","","","","N'-(1-Adamantyl)-3-bromo-N-(2,4-dinitroanilino)-2,4-dioxo-4-phenylbutanimidamide","","C1C2CC3CC1CC(C2)(C3)N=C(C(=O)C(C(=O)C4=CC=CC=C4)Br)NNC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","QYEDGIXYKFCJQL-UHFFFAOYSA-N","5238222",NA,"PDBC40686","662436","Present"
-"N-(1-Adamantyl)-N-(2,3-dichlorobenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(2,3-dichlorobenzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=C(C(=CC=C4)Cl)Cl","VEFFWOSIMRUSIL-UHFFFAOYSA-N","378754",NA,"PDBC40687","661910","Present"
-"N-(1-Adamantyl)-N-(2,4-dichlorobenzylidene)amine","","","","","","","","","","","","","","","","","","","","OLXXNSLCIAHKSO-KEBDBYFISA-N","","C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=C(C=C4)Cl)Cl","OLXXNSLCIAHKSO-UHFFFAOYSA-N","378755",NA,"PDBC40688","661911","Present"
-"N-(1-Adamantyl)-N-(2,5-difluorobenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(2,5-difluorobenzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC(=C4)F)F","RNBVJGHHGDCYQR-UHFFFAOYSA-N","378759",NA,"PDBC40689","661915","Present"
-"N-(1-Adamantyl)-N-(2,6-dichlorobenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(2,6-dichlorobenzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC=C4Cl)Cl","OIGCCSZNCUVNFP-UHFFFAOYSA-N","378756",NA,"PDBC40690","661912","Present"
-"N-(1-Adamantyl)-N-(2-(trifluoromethyl)benzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(2-(trifluoromethyl)benzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4C(F)(F)F","RUJYCLYAUYIMSU-UHFFFAOYSA-N","364596",NA,"PDBC40691","631086","Present"
-"N-(1-Adamantyl)-N-(2-methoxybenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(2-methoxybenzylidene)amine","","COC1=CC=CC=C1C=NC23CC4CC(C2)CC(C4)C3","MYAKFRXXXJBNJU-UHFFFAOYSA-N","365169",NA,"PDBC40692","632379","Present"
-"N-(1-Adamantyl)-N-(2-methylbenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-adamantyl)-1-(o-tolyl)methanimine","","CC1=CC=CC=C1C=NC23CC4CC(C2)CC(C4)C3","VDECDUYLXXIOJJ-UHFFFAOYSA-N","364593",NA,"PDBC40693","631083","Present"
-"N-(1-Adamantyl)-N-(3,4-dichlorobenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(3,4-dichlorobenzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=C(C=C4)Cl)Cl","YJZXPHHSCIRSBA-UHFFFAOYSA-N","378757",NA,"PDBC40694","661913","Present"
-"N-(1-Adamantyl)-N-(3,5-dichlorobenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(3,5-dichlorobenzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC(=C4)Cl)Cl","DUNHKUVZACYFMR-UHFFFAOYSA-N","378758",NA,"PDBC40695","661914","Present"
-"N-(1-Adamantyl)-N-(3-(trifluoromethyl)benzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(3-(trifluoromethyl)benzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)C(F)(F)F","XYIRUPKPWGZIGW-UHFFFAOYSA-N","364597",NA,"PDBC40696","631087","Present"
-"N-(1-Adamantyl)-N-(3-bromobenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(3-bromobenzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)Br","BAAWRWNWFZIBDZ-UHFFFAOYSA-N","364587",NA,"PDBC40697","631077","Present"
-"N-(1-Adamantyl)-N-(3-fluorobenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(3-fluorobenzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)F","SBYXKPMABCQSKG-UHFFFAOYSA-N","364592",NA,"PDBC40698","631082","Present"
-"N-(1-Adamantyl)-N-(3-methoxybenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(3-methoxybenzylidene)amine","","COC1=CC=CC(=C1)C=NC23CC4CC(C2)CC(C4)C3","CDYNCEJANNWBSO-UHFFFAOYSA-N","365170",NA,"PDBC40699","632380","Present"
-"N-(1-Adamantyl)-N-(3-methylbenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-adamantyl)-1-(m-tolyl)methanimine","","CC1=CC(=CC=C1)C=NC23CC4CC(C2)CC(C4)C3","HLGVZVNEMYYNSJ-UHFFFAOYSA-N","364594",NA,"PDBC40700","631084","Present"
-"N-(1-Adamantyl)-N-(4-(trifluoromethyl)benzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(4-(trifluoromethyl)benzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)C(F)(F)F","SNHRBGUCTQBQPK-UHFFFAOYSA-N","365168",NA,"PDBC40701","632378","Present"
-"N-(1-Adamantyl)-N-(4-bromobenzylidene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(4-bromobenzylidene)amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)Br","VZOLYHHSYZOVNN-UHFFFAOYSA-N","364588",NA,"PDBC40702","631078","Present"
-"N-(1-Adamantyl)-N-(4-methylbenzylidene)amine","","","","","","","","","","","","","","","","","","","","ZIXNNHAEEXZXRN-XDHOZWIPSA-N","","CC1=CC=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3","ZIXNNHAEEXZXRN-UHFFFAOYSA-N","364595",NA,"PDBC40703","631085","Present"
-"N-(1-Adamantyl)-N-(cyclohexylmethylene)amine","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)-N-(cyclohexylmethylene)amine","","C1CCC(CC1)C=NC23CC4CC(C2)CC(C4)C3","CQDPXDKIDCZYNO-UHFFFAOYSA-N","377489",NA,"PDBC40704","658957","Present"
-"N-(1-Adamantyl)purine-9-carboxamide","","","","","","","","","","","","","","","","","","","","N-(1-Adamantyl)purine-9-carboxamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)N4C=NC5=CN=CN=C54","JLWYRZCZPSCZMA-UHFFFAOYSA-N","400162",NA,"PDBC40705","711662","Present"
-"N-(1-Amino-3-methyl-1-oxopentan-2-yl)-1-[2-(2-aminopropanoylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","N-(1-Amino-3-methyl-1-oxopentan-2-yl)-1-[2-(2-aminopropanoylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid","","CCC(C)C(C(=O)N)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(C)N.C(=O)(C(F)(F)F)O","QFCLXZMMMWAIDT-UHFFFAOYSA-N","406741",NA,"PDBC40706","725021","Present"
-"N-(1-Anthryl)-2-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-6-methyl-5-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(1-Anthryl)-2-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-6-methyl-5-pyrimidinecarboxamide","","CC1=C(C(=NC(=O)N1)NCCNCCO)C(=O)NC2=CC=CC3=CC4=CC=CC=C4C=C32","NFDFVCRJQZFRGP-UHFFFAOYSA-N","386388",NA,"PDBC40707","678359","Present"
-"N-(1-Benzyl-2-((1-methyl-2-(methylamino)-2-oxoethyl)amino)-2-oxoethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(1-(methylamino)-1-oxopropan-2-ylamino)-1-oxo-3-phe...","","CC(C(=O)NC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2","ZVWIAQOLLNVEGA-UHFFFAOYSA-N","381734",NA,"PDBC40708","668594","Present"
-"N-(1-Benzyl-2-(1-pyrrolidinyl)-2-thioxoethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-Benzyl-2-(1-pyrrolidinyl)-2-thioxoethyl)acetamide","","CC(=O)NC(CC1=CC=CC=C1)C(=S)N2CCCC2","IGDVIXUYXFAKFT-UHFFFAOYSA-N","370702",NA,"PDBC40709","644199","Present"
-"N-(1-Benzyl-4-(1-cyclohexyl-1H-tetraazol-5-yl)-4-piperidinyl)-N-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(1-Benzyl-4-(1-cyclohexyl-1H-tetraazol-5-yl)-4-piperidinyl)-N-phenylacetamide","","CC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C4=NN=NN4C5CCCCC5","JJAIFNATPYBRAI-UHFFFAOYSA-N","379868",NA,"PDBC40710","665005","Present"
-"N-(1-Benzyl-4-piperidinyl)-2-iodobenzamide","","","","","","","","","","","","","","","","","","","","N-(1-Benzyl-4-piperidinyl)-2-iodobenzamide","","C1CN(CCC1NC(=O)C2=CC=CC=C2I)CC3=CC=CC=C3","KARHAJNERWKAIT-UHFFFAOYSA-N","381254",NA,"PDBC40711","667671","Present"
-"N-(1-Benzyl-4-piperidinyl)-3-iodobenzamide","","","","","","","","","","","","","","","","","","","","N-(1-Benzyl-4-piperidinyl)-3-iodobenzamide","","C1CN(CCC1NC(=O)C2=CC(=CC=C2)I)CC3=CC=CC=C3","VOIQMSJHUQWNSN-UHFFFAOYSA-N","381255",NA,"PDBC40712","667673","Present"
-"N-(1-Benzyl-4-piperidinylidene)-1-piperidinamine","","","","","","","","","","","","","","","","","","","","N-(1-Benzyl-4-piperidinylidene)-1-piperidinamine","","C1CCN(CC1)N=C2CCN(CC2)CC3=CC=CC=C3","XHMHPXHCLICECY-UHFFFAOYSA-N","379970",NA,"PDBC40713","665277","Present"
-"N-(1-Benzylimidazolin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(1-Benzylimidazolin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCCN2CC3=CC=CC=C3","HEJLUTIITSRTAL-UHFFFAOYSA-N","397055",NA,"PDBC40714","704337","Present"
-"N-(1-Benzylpiperidin-4-yl)-4-iodobenzamide","","","","","","","","","","","","","","","","","","","","4-IBP","","C1CN(CCC1NC(=O)C2=CC=C(C=C2)I)CC3=CC=CC=C3","HELCSESNNDZLFM-UHFFFAOYSA-N","132995",NA,"PDBC40715","667672","Present"
-"N-(1-Chloro-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-4-fluorobenzamide","","","","","","","","","","","","","","","","","","","","N-(1-Chloro-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-4-fluorobenzamide","","C1=CC(=CC=C1C(=O)NC(C(F)(F)F)(C(F)(F)F)Cl)F","UFEFZALBEJBCMA-UHFFFAOYSA-N","389148",NA,"PDBC40716","684832","Present"
-"N-(1-Cyano-1-phenylethyl)-N-(2-phenylethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-Cyano-1-phenylethyl)-N-(2-phenylethyl)acetamide","","CC(=O)N(CCC1=CC=CC=C1)C(C)(C#N)C2=CC=CC=C2","QCIKQMBLZNMIAH-UHFFFAOYSA-N","387711",NA,"PDBC40717","681740","Present"
-"N-(1-Cyano-1-phenylpropyl)-N-(2-phenylethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(1-Cyano-1-phenylpropyl)-N-(2-phenylethyl)benzamide","","CCC(C#N)(C1=CC=CC=C1)N(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3","AHWYAIGADCNSTP-UHFFFAOYSA-N","387712",NA,"PDBC40718","681741","Present"
-"N-(1-Cyano-2-methoxyethyl)doxorubicin, hemihydrate","","","","","","","","","","","","","","","","","","","","N-(1-Cyano-2-methoxyethyl)doxorubicin, hemihydrate","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(COC)C#N)O","GYCDKMVFGHDCQH-UHFFFAOYSA-N","438492",NA,"PDBC40719","639659","Present"
-"N-(1-Cyclopentenyl)-N',N'-diphenyltrifluoroacetohydrazide","","","","","","","","","","","","","","","","","","","","N-(1-Cyclopentenyl)-N',N'-diphenyltrifluoroacetohydrazide","","C1CC=C(C1)N(C(=O)C(F)(F)F)N(C2=CC=CC=C2)C3=CC=CC=C3","LAXMVLSYSRCXBJ-UHFFFAOYSA-N","401321",NA,"PDBC40720","714631","Present"
-"N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-methionine","","","","","","","","","","","","","","","","","","","","N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-methionine","","CSCCC(C(=O)O)N(CC1(C(C(C(CO1)O)O)O)O)N=O","SRNXMKFKDGBPJW-UHFFFAOYSA-N","371822",NA,"PDBC40721","646338","Present"
-"N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-threonine","","","","","","","","","","","","","","","","","","","","N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-threonine","","CC(C(C(=O)O)N(CC1(C(C(C(CO1)O)O)O)O)N=O)O","XKGFBXMVLNFKCK-UHFFFAOYSA-N","371820",NA,"PDBC40722","646336","Present"
-"N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-tryptophan","","","","","","","","","","","","","","","","","","","","N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-tryptophan","","C1C(C(C(C(O1)(CN(C(CC2=CNC3=CC=CC=C32)C(=O)O)N=O)O)O)O)O","SRNPMGDQUWLAEO-UHFFFAOYSA-N","371823",NA,"PDBC40723","646339","Present"
-"N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-valine","","","","","","","","","","","","","","","","","","","","N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-valine","","CC(C)C(C(=O)O)N(CC1(C(C(C(CO1)O)O)O)O)N=O","JHNVKDQXPANPLJ-UHFFFAOYSA-N","371821",NA,"PDBC40724","646337","Present"
-"N-(1-Ethoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(1-Ethoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide","","CCC(=O)NC(C(F)(F)F)(C(F)(F)F)OCC","GSMHOOASLPEBRE-UHFFFAOYSA-N","383584",NA,"PDBC40725","672002","Present"
-"N-(1-Ethoxy-2,2,2-trifluoro-1-hydroxyethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(1-Ethoxy-2,2,2-trifluoro-1-hydroxyethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide","","CCOC(C(F)(F)F)(NC(=O)C(C(F)(F)F)C(F)(F)F)O","VONNDZUFYWLTIP-UHFFFAOYSA-N","383673",NA,"PDBC40726","672091","Present"
-"N-(1-Formyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(1-Formyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC2(CCCC3C2CCCC3)C=O","MNWXOSNCJLKFNN-UHFFFAOYSA-N","359234",NA,"PDBC40727","619943","Present"
-"N-(1-Methoxy-2-phenylethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-Methoxy-2-phenylethyl)acetamide","","CC(=O)NC(CC1=CC=CC=C1)OC","DVKUUBLJWTXPQP-UHFFFAOYSA-N","381471",NA,"PDBC40728","668058","Present"
-"N-(1-Methyl-1-(4-methyl-3-phenyl-3-cyclohexen-1-yl)ethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-Methyl-1-(4-methyl-3-phenyl-3-cyclohexen-1-yl)ethyl)acetamide","","CC1=C(CC(CC1)C(C)(C)NC(=O)C)C2=CC=CC=C2","PWOMHBOFMXNNQO-UHFFFAOYSA-N","376001",NA,"PDBC40729","656381","Present"
-"N-(1-Methyl-1-(4-methylcyclohexyl)ethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(p-menth-8-yl)acetamide","","CC1CCC(CC1)C(C)(C)NC(=O)C","MDGYIWOSJQTJJU-UHFFFAOYSA-N","379924",NA,"PDBC40730","665116","Present"
-"N-(1-Methyl-1H-benzimidazol-2-yl)-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","ZAWUKQCLEWGNRF-UHFFFAOYSA-N","","CN1C2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3","ZAWUKQCLEWGNRF-UHFFFAOYSA-N","391368",NA,"PDBC40731","690403","Present"
-"N-(1-Methyl-2-(4-pyridinylimino)propylidene)-4-pyridinamine","","","","","","","","","","","","","","","","","","","","N-(1-Methyl-2-(4-pyridinylimino)propylidene)-4-pyridinamine","","CC(=NC1=CC=NC=C1)C(=NC2=CC=NC=C2)C","DFELOQNKMKLUIF-UHFFFAOYSA-N","389337",NA,"PDBC40732","685286","Present"
-"N-(1-Methyl-4(1H)-pyridinylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(1-Methyl-4(1H)-pyridinylidene)benzenesulfonamide","","CN1C=CC(=NS(=O)(=O)C2=CC=CC=C2)C=C1","YXELIVJTXGJKNW-UHFFFAOYSA-N","371883",NA,"PDBC40733","646465","Present"
-"N-(1-Methyl-4-oxo-2,6-diphenylpiperidin-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(1-Methyl-4-oxo-2,6-diphenylpiperidin-3-yl)acetamide","","CC(=O)NC1C(N(C(CC1=O)C2=CC=CC=C2)C)C3=CC=CC=C3","JDYAEPOVCTZWTD-UHFFFAOYSA-N","338325",NA,"PDBC40734","360219","Present"
-"N-(1-Naphthyl)-2-(phenylthio)ethanethioamide","","","","","","","","","","","","","","","","","","","","N-(1-Naphthyl)-2-(phenylthio)ethanethioamide","","C1=CC=C(C=C1)SCC(=S)NC2=CC=CC3=CC=CC=C32","MIVUWDBSUAOVIB-UHFFFAOYSA-N","3246501",NA,"PDBC40735","158011","Present"
-"N-(1-Naphthylmethylene)-N-(3-(4-(3-((1-naphthylmethylene)amino)propyl)-1-piperazinyl)propyl)amine","","","","","","","","","","","","","","","","","","","","N-(1-Naphthylmethylene)-N-(3-(4-(3-((1-naphthylmethylene)amino)propyl)-1-piperazinyl)propyl)amine","","C1CN(CCN1CCCN=CC2=CC=CC3=CC=CC=C32)CCCN=CC4=CC=CC5=CC=CC=C54","ZKCUZGOPVAICQU-UHFFFAOYSA-N","382429",NA,"PDBC40736","669996","Present"
-"N-(1-Phenylethyl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","Z53825003","","CC(C1=CC=CC=C1)NS(=O)(=O)C","SHEXGLJFVVRUCZ-UHFFFAOYSA-N","380740",NA,"PDBC40737","666447","Present"
-"N-(1-Tert-butyl-3-cyclopropyl-1H-pyrazol-5-yl)-N'-(4-chlorophenyl)urea","","","","","","","","","","","","","","","","","","","","N-(1-Tert-butyl-3-cyclopropyl-1H-pyrazol-5-yl)-N'-(4-chlorophenyl)urea","","CC(C)(C)N1C(=CC(=N1)C2CC2)NC(=O)NC3=CC=C(C=C3)Cl","GTVJMLKPCKBNMX-UHFFFAOYSA-N","339572",NA,"PDBC40738","366801","Present"
-"N-(10-Methoxy-9-phenanthryl)acetamide","","","","","","","","","","","","","","","","","","","","N-(10-Methoxy-9-phenanthryl)acetamide","","CC(=O)NC1=C(C2=CC=CC=C2C3=CC=CC=C31)OC","WRKYPBXLNCCOCV-UHFFFAOYSA-N","233294",NA,"PDBC40739","31698","Present"
-"N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-2-piperidin-1-ylacetamide","","","","","","","","","","","","","","","","","","","","N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-2-piperidin-1-ylacetamide","","C1CCN(CC1)CC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O","RMBSVWCCHOJBRF-UHFFFAOYSA-N","383032",NA,"PDBC40740","671013","Present"
-"N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-2-pyrrolidin-1-ylacetamide","","","","","","","","","","","","","","","","","","","","N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-2-pyrrolidin-1-ylacetamide","","C1CCN(C1)CC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O","IZVRZVIYRDCFQT-UHFFFAOYSA-N","383034",NA,"PDBC40741","671015","Present"
-"N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-3-piperidin-1-ylpropanamide","","","","","","","","","","","","","","","","","","","","N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-3-piperidin-1-ylpropanamide","","C1CCN(CC1)CCC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O","WNHDOFVMJQNDOF-UHFFFAOYSA-N","383031",NA,"PDBC40742","671012","Present"
-"N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-3-pyrrolidin-1-ylpropanamide","","","","","","","","","","","","","","","","","","","","N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-3-pyrrolidin-1-ylpropanamide","","C1CCN(C1)CCC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O","TYVCKMXCZMLZNV-UHFFFAOYSA-N","383035",NA,"PDBC40743","671016","Present"
-"N-(11,29-Dihydroxy-10,24-dimethyl-2,9,12,19,23,26-hexaoxo-21-propan-2-yl-22-oxa-1,7,8,11,17,18,25,31-octazatetracyclo[25.4.0.03,8.013,18]hentriacontan-20-yl)-2-(6-ethyl-2-hydroxy-5-propyloxan-2-yl)-2-hydroxypropanamide","","","","","","","","","","","","","","","","","","","","N-(11,29-Dihydroxy-10,24-dimethyl-2,9,12,19,23,26-hexaoxo-21-propan-2-yl-22-oxa-1,7,8,11,17,18,25,31-octazatetracyclo[25.4.0.03,8.013,18]hentriacontan-20-yl)-2-(6-ethyl-2-hydroxy-5-propyloxan-2-yl)-2-","","CCCC1CCC(OC1CC)(C(C)(C(=O)NC2C(OC(=O)C(NC(=O)C3CC(CNN3C(=O)C4CCCNN4C(=O)C(N(C(=O)C5CCCNN5C2=O)O)C)O)C)C(C)C)O)O","BJUCZDYVLAQTFF-UHFFFAOYSA-N","54613466",NA,"PDBC40744","748877","Present"
-"N-(11H-Indolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N-(11H-Indolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine","","CN(C)CCCNC1=NC2=CC=CC=C2C3=C1C4=CC=CC=C4N3","YDDJZBOVSWPZMR-UHFFFAOYSA-N","24204051",NA,"PDBC40745","730508","Present"
-"N-(12-Oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(12-Oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)butanamide","","CCCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2","IBOAFUMBICXQKT-UHFFFAOYSA-N","356024",NA,"PDBC40746","611003","Present"
-"N-(12-Oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(12-Oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)propanamide","","CCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2","FVAUFZKJZPSFDC-UHFFFAOYSA-N","24201958",NA,"PDBC40747","611002","Present"
-"N-(17beta-Dimethylamino-3beta-androstanyl)-N'-[2-phenyl-1-(2-thiazolyl)ethyl]urea","","","","","","","","","","","","","","","","","","","","N-(17.beta.-Dimethylamino-3.beta.-androstanyl)-N'-[2-phe...","","CC12CCC(CC1CCC3C2CCC4(C3CCC4N(C)C)C)NC(=O)NC(CC5=CC=CC=C5)C6=NC=CS6","QPOUCHIQTFZFLC-JNKAUUNZSA-N","54608130",NA,"PDBC40748","647889","Present"
-"N-(1E-Pentenyl)-2Z,4Z-heptadienamide","","","","","","","","","","","","","","","","","","","","N-(1E-pentenyl)-2Z,4Z-heptadienamide","","CCCC=CNC(=O)C=CC=CCC","JDFJAHGFIVKJBK-IZYYEFCUSA-N","5471986",NA,"PDBC40749","715759","Present"
-"N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-(1-piperidinyl)aniline","","","","","","","","","","","","","","","","","","","","N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-(1-piperidinyl)aniline","","C1CCN(CC1)C2=CC=C(C=C2)NCN3C4=CC=CC=C4N=N3","FEJWFJLDFCOIKG-UHFFFAOYSA-N","374216",NA,"PDBC40750","651706","Present"
-"N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-(4-morpholinyl)aniline","","","","","","","","","","","","","","","","","","","","N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-(4-morpholinyl)aniline","","C1COCCN1C2=CC=C(C=C2)NCN3C4=CC=CC=C4N=N3","NPLYMUHRIYZVLO-UHFFFAOYSA-N","374215",NA,"PDBC40751","651705","Present"
-"N-(1H-1,2,4-Triazol-5-yl)formamide","","","","","","","","","","","","","","","","","","","","1H-1,2,4-Triazol-5-ylformamide","","C1=NNC(=N1)NC=O","WDTLDGKGWGDNSS-UHFFFAOYSA-N","266921",NA,"PDBC40752","105806","Present"
-"N-(1H-Benzimidazol-1-ylmethyl)aniline","","","","","","","","","","","","","","","","","","","","N-(1H-Benzimidazol-1-ylmethyl)aniline","","C1=CC=C(C=C1)NCN2C=NC3=CC=CC=C32","XEVXPIRXOWDVKA-UHFFFAOYSA-N","357883",NA,"PDBC40753","617417","Present"
-"N-(1H-Benzimidazol-2-ylmethyl)-4-(4,5-dihydroselenadiazol-4-yl)aniline","","","","","","","","","","","","","","","","","","","","N-(1H-Benzimidazol-2-ylmethyl)-4-(4,5-dihydroselenadiazol-4-yl)aniline","","C1C(N=N[Se]1)C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3","VGLXQBAWRKTWBQ-UHFFFAOYSA-N","374048",NA,"PDBC40754","651244","Present"
-"N-(1H-Benzimidazol-2-ylsulfanylmethyl)-N-ethylethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC629705","","CCN(CC)CSC1=NC2=CC=CC=C2N1.Cl","QDLVUJNKCGECLS-UHFFFAOYSA-N","364065",NA,"PDBC40755","629705","Present"
-"N-(1H-Benzo[d]imidazol-2(3H)-ylidene)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(1H-benzo[d]imidazol-2(3H)-ylidene)-4-chloro-2-mercapt...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N2","PJORYKXENKUDFV-UHFFFAOYSA-N","387425",NA,"PDBC40756","681174","Present"
-"N-(1H-Indol-2-yl)-N-(4-methyl-6-phenyl-2-pyrimidinyl)amine","","","","","","","","","","","","","","","","","","","","N-(1H-Indol-2-yl)-N-(4-methyl-6-phenyl-2-pyrimidinyl)amine","","CC1=CC(=NC(=N1)NC2=CC3=CC=CC=C3N2)C4=CC=CC=C4","KDBFWRRBGLHYKD-UHFFFAOYSA-N","369578",NA,"PDBC40757","641447","Present"
-"N-(1H-Indol-3-ylmethyl)-1,1-dioxo-4-phenylpyrido[4,3-e][1,2,4]thiadiazin-3-imine","","","","","","","","","","","","","","","","","","","","N-(1H-Indol-3-ylmethyl)-1,1-dioxo-4-phenylpyrido[4,3-e][1,2,4]thiadiazin-3-imine","","C1=CC=C(C=C1)N2C3=C(C=NC=C3)S(=O)(=O)NC2=NCC4=CNC5=CC=CC=C54","SJUALJMYHAXCNY-UHFFFAOYSA-N","135426739",NA,"PDBC40758","714645","Present"
-"N-(1H-Pyrazol-1-ylmethyl)(2-pyridinyl)-N-(2-pyridinylmethyl)methanamine","","","","","","","","","","","","","","","","","","","","N-(1H-Pyrazol-1-ylmethyl)(2-pyridinyl)-N-(2-pyridinylmethyl)methanamine","","C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CN3C=CC=N3","YPYQXDWFEISAQV-UHFFFAOYSA-N","361766",NA,"PDBC40759","625032","Present"
-"N-(2,1,3-Benzothiadiazol-4-yl)-8-chloro-3-methyl-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","","","","","","","","","","","","","","","","","","","N-(Benzo-2,1,3-thiadiazol-4-yl)-8-chloro-3-methyl-5,5-di...","","CC1=CN=C2N1S(=O)(=O)C3=C(S2)C=C(C(=C3)C(=O)NC4=CC=CC5=NSN=C54)Cl","UWOHKJMAGPCDCR-UHFFFAOYSA-N","406656",NA,"PDBC40760","724896","Present"
-"N-(2,1,3-Benzothiadiazol-4-yl)-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2,1,3-Benzothiadiazol-4-yl)-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","C1=CC2=NSN=C2C(=C1)NC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O","NYRIXOYDRXFNGO-UHFFFAOYSA-N","397031",NA,"PDBC40761","704313","Present"
-"N-(2,2,2-Trifluoro-1-((4-methyl-2-pyridinyl)amino)-1-(trifluoromethyl)ethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2,2,2-Trifluoro-1-((4-methyl-2-pyridinyl)amino)-1-(trifluoromethyl)ethyl)benzamide","","CC1=CC(=NC=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=CC=C2","HDPMRONJQVLTJD-UHFFFAOYSA-N","389126",NA,"PDBC40762","684811","Present"
-"N-(2,2,2-Trifluoro-1-(2-((4-methylphenyl)sulfonyl)hydrazino)-1-(trifluoromethyl)ethyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,2,2-Trifluoro-1-(2-((4-methylphenyl)sulfonyl)hydrazino)-1-(trifluoromethyl)ethyl)propanamide","","CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NNS(=O)(=O)C1=CC=C(C=C1)C","ZAUUUQFEMMYOMK-UHFFFAOYSA-N","383563",NA,"PDBC40763","671981","Present"
-"N-(2,2,2-Trifluoro-1-(3-fluoro-2-methylanilino)-1-(trifluoromethyl)ethyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,2,2-Trifluoro-1-(3-fluoro-2-methylanilino)-1-(trifluoromethyl)ethyl)propanamide","","CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C(=CC=C1)F)C","WHHXLVLOSHYFAG-UHFFFAOYSA-N","383588",NA,"PDBC40764","672006","Present"
-"N-(2,2,2-Trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl)butanamide","","","","","","","","","","","","","","","","","","","","Butanamide, N-[2-[(4-fluorophenyl)amino]-1,1,1,3,3,3- he...","","CCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)F","KQJJIYWCYIVGAC-UHFFFAOYSA-N","389152",NA,"PDBC40765","684836","Present"
-"N-(2,2-Bis(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-3(2H)-ylidene)(trimethyl)silanamine","","","","","","","","","","","","","","","","","","","","N-(2,2-Bis(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-3(2H)-ylidene)(trimethyl)silanamine","","C[Si](C)(C)N=C1C(N=C2N1C3=CC=CC=C3S2)(C(F)(F)F)C(F)(F)F","UBAATFMXUDNBFV-YVNNLAQVSA-N","9569941",NA,"PDBC40766","627051","Present"
-"N-(2,2-Dicyanovinyl)pyridine-4-carbothioamide","","","","","","","","","","","","","","","","","","","","N-(2,2-Dicyanovinyl)pyridine-4-carbothioamide","","C1=CN=CC=C1C(=S)NC=C(C#N)C#N","JQDJDCUBYJRAGG-UHFFFAOYSA-N","3004574",NA,"PDBC40767","658484","Present"
-"N-(2,2-Diethoxyethyl)-3,3-diethoxy-1-propanamine","","","","","","","","","","","","","","","","","","","","N-(2,2-Diethoxyethyl)-3,3-diethoxy-1-propanamine","","CCOC(CCNCC(OCC)OCC)OCC","AYQJBFKBVIODLQ-UHFFFAOYSA-N","377650",NA,"PDBC40768","659230","Present"
-"N-(2,2-Diethoxyethyl)-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine","","","","","","","","","","","","","","","","","","","","N-(2,2-Diethoxyethyl)-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine","","CCOC(CNC1=NN2C(=NN=C2S1)C)OCC","JBQSWZYMNLKSBW-UHFFFAOYSA-N","383497",NA,"PDBC40769","671882","Present"
-"N-(2,2-Diethoxyethyl)hexadecanamide","","","","","","","","","","","","","","","","","","","","N-(2,2-Diethoxyethyl)hexadecanamide","","CCCCCCCCCCCCCCCC(=O)NCC(OCC)OCC","KEXBMUDDYRVGOY-UHFFFAOYSA-N","368409",NA,"PDBC40770","639413","Present"
-"N-(2,2-Diethoxyethyl)tetradecan-1-amine","","","","","","","","","","","","","","","","","","","","N-[Bis-(2-ethoxy)ethyl]-1-tetradecylamine","","CCCCCCCCCCCCCCNCC(OCC)OCC","CTPIBYLTVIWKMP-UHFFFAOYSA-N","365736",NA,"PDBC40771","633686","Present"
-"N-(2,2-Dimethoxyethyl)-2-(3-phenylpropanoylamino)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,2-Dimethoxyethyl)-2-(3-phenylpropanoylamino)propanamide","","CC(C(=O)NCC(OC)OC)NC(=O)CCC1=CC=CC=C1","RYJHVZCRTYSICO-UHFFFAOYSA-N","387028",NA,"PDBC40772","680348","Present"
-"N-(2,2-Dimethoxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide","","","","","","","","","","","","","","","","","","","","N-(2,2-Dimethoxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide","","CC(C(=O)NCC(OC)OC)NC(=O)C=CC1=CC=CC=C1","YCPSGSWJPXCVLD-MDZDMXLPSA-N","5468966",NA,"PDBC40773","680347","Present"
-"N-(2,2-Dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide","","","","","","","","","","","","","","","","","","","","N-(2,2-Dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide","","CC(=O)N(CC(OC)OC)C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2","BUBJVDFCKSCMCQ-UHFFFAOYSA-N","385078",NA,"PDBC40774","676007","Present"
-"N-(2,2-Dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide","","","","","","","","","","","","","","","","","","","","N-(2,2-Dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide","","COC(CN(C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2)C(=O)C5=CC=CC=C5)OC","ZGZRZHZYXTTWLH-UHFFFAOYSA-N","385079",NA,"PDBC40775","676008","Present"
-"N-(2,2-Dimethoxyethyl)tetradecan-1-amine","","","","","","","","","","","","","","","","","","","","N-(2,2-Dimethoxyethyl)tetradecan-1-amine","","CCCCCCCCCCCCCCNCC(OC)OC","GPTJJYPTZIZMHQ-UHFFFAOYSA-N","368420",NA,"PDBC40776","639422","Present"
-"N-(2,3,5,5,6-Pentamethylbicyclo[2.2.1]hept-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,3,5,5,6-Pentamethylbicyclo[2.2.1]hept-2-yl)acetamide","","CC1C2CC(C1(C)C)C(C2(C)NC(=O)C)C","NUMKLBYYJZQOGT-UHFFFAOYSA-N","376017",NA,"PDBC40777","656397","Present"
-"N-(2,3-Di(2-pyridinyl)-6-quinoxalinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,3-Di(2-pyridinyl)-6-quinoxalinyl)acetamide","","CC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4","UGJQCBGRYMZZFI-UHFFFAOYSA-N","393977",NA,"PDBC40778","697064","Present"
-"N-(2,3-Dihydro-1H-inden-5-yl)-2,6-dimethoxy-4-pyrimidinamine","","","","","","","","","","","","","","","","","","","","N-(2,3-Dihydro-1H-inden-5-yl)-2,6-dimethoxy-4-pyrimidinamine","","COC1=NC(=NC(=C1)NC2=CC3=C(CCC3)C=C2)OC","AVNINNINMDLJBK-UHFFFAOYSA-N","389523",NA,"PDBC40779","685814","Present"
-"N-(2,3-Dihydro-1H-inden-5-yl)-4,5-dihydro-1,3-oxazol-2-amine","","","","","","","","","","","","","","","","","","","","2-Oxazolamine, N-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-","","C1CC2=C(C1)C=C(C=C2)NC3=NCCO3","WFWKKOBZBLAREI-UHFFFAOYSA-N","294117",NA,"PDBC40780","162083","Present"
-"N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide","","","","","","","","","","","","","","","","","","","","Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dime...","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)O","DEIXKZGDCOFYAR-UHFFFAOYSA-N","100173",NA,"PDBC40781","354974","Present"
-"N-(2,3-Dihydroxypropyl)-1-{2-[(2,3-dihydroxypropyl)amino]-2-oxoethyl}-4-iodo-1H-pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2,3-Dihydroxypropyl)-1-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]-4-iodopyrazole-3-carboxamide","","C1=C(C(=NN1CC(=O)NCC(CO)O)C(=O)NCC(CO)O)I","AYQSTUAFJLIQME-UHFFFAOYSA-N","375566",NA,"PDBC40782","655354","Present"
-"N-(2,3-Dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;chloride","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;chloride","","CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]","JBANJYHYPHFVFW-UHFFFAOYSA-M","24184591",NA,"PDBC40783","34927","Present"
-"N-(2,3-Dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;hydrochloride","","CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])C4=CC=CC=C4.Cl","JBANJYHYPHFVFW-UHFFFAOYSA-N","24181641",NA,"PDBC40784","10594","Present"
-"N-(2,3-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=C(C(=CC=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C","OMIVORHCWUVUHR-UHFFFAOYSA-N","366107",NA,"PDBC40785","634394","Present"
-"N-(2,3-Dimethylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","CC1=CC(=CC=C1)N=C2NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3C)C","UDAKFWSHXSCEIC-UHFFFAOYSA-N","135460186",NA,"PDBC40786","632926","Present"
-"N-(2,3-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","CC1=C(C(=CC=C1)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)C","KVOQJEUWQIGHNG-UHFFFAOYSA-N","368944",NA,"PDBC40787","640349","Present"
-"N-(2,3-Dimethylphenyl)-3-(3-hydroxy-2-quinoxalinyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethylphenyl)-3-(3-hydroxy-2-quinoxalinyl)-2-oxopropanamide","","CC1=C(C(=CC=C1)NC(=O)C(=O)CC2=NC3=CC=CC=C3NC2=O)C","GZFYQVBNVCYWMM-UHFFFAOYSA-N","371565",NA,"PDBC40788","645894","Present"
-"N-(2,3-Dimethylphenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethylphenyl)-3-nitro-2-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)propanamide","","CC1=C(C(=CC=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-])C","JYENQJXMPABEPI-UHFFFAOYSA-N","369838",NA,"PDBC40789","642035","Present"
-"N-(2,3-Dimethylphenyl)-3-phenylacrylamide","","","","","","","","","","","","","","","","","","","","N-(2,3-DIMETHYLPHENYL)-3-PHENYLACRYLAMIDE","","CC1=C(C(=CC=C1)NC(=O)C=CC2=CC=CC=C2)C","RQHNIXYBYDVNBQ-VAWYXSNFSA-N","924452",NA,"PDBC40790","191388","Present"
-"N-(2,3-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","CC1=C(C(=CC=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4)C","PISVECFSJKJLAU-UHFFFAOYSA-N","369476",NA,"PDBC40791","641246","Present"
-"N-(2,3-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","CC1=C(C(=CC=C1)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C)C","UUCWPRWAEATLDQ-UHFFFAOYSA-N","366183",NA,"PDBC40792","634510","Present"
-"N-(2,3-Dimethylphenyl)-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,3-Dimethylphenyl)-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide","","CC1=C(C(=CC=C1)NC(=O)C(=O)CC(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)OC)[O-])C)C","WLFQEGOQOIZBGU-UHFFFAOYSA-N","366328",NA,"PDBC40793","634676","Present"
-"N-(2,3-Dimethylphenyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4MePhSO2NH-xylyl","","CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2C)C","NPHSDBOKJYJHBH-UHFFFAOYSA-N","361279",NA,"PDBC40794","624222","Present"
-"N-(2,4,6-Trinitrophenyl)carbazol-9-amine","","","","","","","","","","","","","","","","","","","","NSC41626///Carbazole, 9-(2,4,6-trinitroanilino)-","","C1=CC=C2C(=C1)C3=CC=CC=C3N2NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","FRLJBDXFYGRMJG-UHFFFAOYSA-N","77263",NA,"PDBC40795","41626///85021","Present"
-"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-((dibutylamino)methyl)-3-(isonicotinoylhydrazono)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-((dibutylamino)methyl)-3-(isonicotinoylhydrazono)butanamide","","CCCCN(CCCC)CC(C(=NNC(=O)C1=CC=NC=C1)C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","PUJKUPVKRFEKCR-VEILYXNESA-N","5799047",NA,"PDBC40796","641828","Present"
-"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2,5-dioxo-4-imidazolidinyl)-2-(methylhydrazono)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2,5-dioxo-4-imidazolidinyl)-2-(methylhydrazono)acetamide","","CNN=C(C1C(=O)NC(=O)N1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","SSGWIGQGYHMDAX-MFOYZWKCSA-N","9571343",NA,"PDBC40797","646784","Present"
-"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2-(4-chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","2-[2-(4-Chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dinitrophenyl)acetamide","","CC1=C(C=CC(=C1)Cl)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","ONAUUOZCZJZPBW-UHFFFAOYSA-N","135463375",NA,"PDBC40798","632246","Present"
-"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2-chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","2-(2-Chloroanilino)-N-(2,4-dinitrophenyl)-4-oxo-thiazole-5-carboxamide","","C1=CC=C(C(=C1)N=C2NC(=O)C(S2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl","UDTUHMYVLPIEBB-UHFFFAOYSA-N","135503441",NA,"PDBC40799","632241","Present"
-"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)CC2C(=O)N=C(S2)N","BEIOEEYJKRINAY-UHFFFAOYSA-N","365333",NA,"PDBC40800","632924","Present"
-"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(tert-butylhydrazono)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-2-(Tert-butylhydrazono)-N-(2,4-dinitrophenyl)-2-(3-hydroxy-6-nitro-quinoxalin-2-yl)acetamide","","CC(C)(C)NN=C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","RSYCCUXZNGIGKS-ULJHMMPZSA-N","135499299",NA,"PDBC40801","649565","Present"
-"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dinitrophenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","VFHXGINDQNUEFM-UHFFFAOYSA-N","369255",NA,"PDBC40802","640986","Present"
-"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-(3,4-Dichlorophenyl)-N-(2,4-dinitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","BQNHFQJQQIQKMY-UHFFFAOYSA-N","370956",NA,"PDBC40803","644761","Present"
-"N-(2,4-Diamino-6-hydroxy-5-pyrimidinyl)-4-hydroxybutanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Diamino-6-hydroxy-5-pyrimidinyl)-4-hydroxybutanamide","","C(CC(=O)NC1=C(N=C(NC1=O)N)N)CO","WLFAMRISRNIXSA-UHFFFAOYSA-N","135489834",NA,"PDBC40804","682525","Present"
-"N-(2,4-Dichlorobenzyl)-3-(2-thienyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorobenzyl)-3-(2-thienyl)-2-quinoxalinamine","","C1=CC=C2C(=C1)N=C(C(=N2)NCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CS4","KEXQXBOEEOIAKO-UHFFFAOYSA-N","367579",NA,"PDBC40805","637412","Present"
-"N-(2,4-Dichlorobenzylidene)-9H-fluoren-2-amine","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorobenzylidene)-9H-fluoren-2-amine","","C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=C(C=C(C=C4)Cl)Cl","YKPFOXXJYJZZGO-UHFFFAOYSA-N","248618",NA,"PDBC40806","65933","Present"
-"N-(2,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydroiso...","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=NC=C3)C(=O)C(=O)NC4=C(C=C(C=C4)Cl)Cl","AACIAKQJXZKKOL-UHFFFAOYSA-N","370982",NA,"PDBC40807","644788","Present"
-"N-(2,4-Dichlorophenyl)-2,4-dioxo-4-(2-oxooxolan-3-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","C1COC(=O)C1C(=O)CC(=O)C(=O)NC2=C(C=C(C=C2)Cl)Cl","PWRRQOGGJYNPTM-UHFFFAOYSA-N","361011",NA,"PDBC40808","623744","Present"
-"N-(2,4-Dichlorophenyl)-2-(2-(4-ethoxyanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-2-(2-(4-ethoxyanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","CCOC1=CC=C(C=C1)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl","DUGLPIQQRFDHQV-UHFFFAOYSA-N","135500538",NA,"PDBC40809","632958","Present"
-"N-(2,4-Dichlorophenyl)-2-(hydroxyimino)-3-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-2-(hydroxyimino)-3-oxobutanamide","","CC(=C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)N=O)O","VBWQTHLPLBLXPM-WEVVVXLNSA-N","135510124",NA,"PDBC40810","636381","Present"
-"N-(2,4-Dichlorophenyl)-2-[2-(2,5-dimethylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-2-(2-(2,5-dimethylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","CC1=CC(=C(C=C1)C)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl","IRAMVOUQVQWORO-UHFFFAOYSA-N","135498428",NA,"PDBC40811","631557","Present"
-"N-(2,4-Dichlorophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","C1=CC(=C(C=C1Cl)Cl)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O","BHDRXAQXVKOJRL-UHFFFAOYSA-N","371847",NA,"PDBC40812","646366","Present"
-"N-(2,4-Dichlorophenyl)-3-((1-naphthylsulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-3-((1-naphthylsulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NN3C=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=C(C=C(C=C5)Cl)Cl","QHJRQZOTBSXMQX-UHFFFAOYSA-N","390423",NA,"PDBC40813","687777","Present"
-"N-(2,4-Dichlorophenyl)-3-(3-methyl-2-quinoxalinyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-3-(3-methyl-2-quinoxalinyl)-2-oxopropanamide","","CC1=NC2=CC=CC=C2N=C1CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","DQNSLYSYXXCZHL-UHFFFAOYSA-N","371864",NA,"PDBC40814","646385","Present"
-"N-(2,4-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC2=NNC(=S)O2","XMRZKTCHTHBNHC-UHFFFAOYSA-N","3004203",NA,"PDBC40815","636103","Present"
-"N-(2,4-Dichlorophenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=C(C=C5)Cl)Cl","MFWDEFRHVJZVHJ-UHFFFAOYSA-N","369452",NA,"PDBC40816","641222","Present"
-"N-(2,4-Dichlorophenyl)-4-hydrazino-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","ARONIS022038","","C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC(=O)NN","CXDVNAMCLHCSSW-UHFFFAOYSA-N","362231",NA,"PDBC40817","625834","Present"
-"N-(2,4-Dichlorophenyl)-5,7-dioxooctanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-5,7-dioxooctanamide","","CC(=O)CC(=O)CCCC(=O)NC1=C(C=C(C=C1)Cl)Cl","CLSZJSHYGXDSDZ-UHFFFAOYSA-N","360659",NA,"PDBC40818","622977","Present"
-"N-(2,4-Dichlorophenyl)-7-(2-naphthyl)-5,7-dioxoheptanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-7-(2-naphthyl)-5,7-dioxoheptanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)CCCC(=O)NC3=C(C=C(C=C3)Cl)Cl","CEVHSFMXLSCQBI-UHFFFAOYSA-N","364935",NA,"PDBC40819","631821","Present"
-"N-(2,4-Dichlorophenyl)-7-hydroxy-4-(hydroxyimino)-4H-chromene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-7-hydroxy-4-(hydroxyimino)-4H-chromene-2-carboxamide","","C1=CC2=C(C=C1O)OC(=CC2=NO)C(=O)NC3=C(C=C(C=C3)Cl)Cl","IIHBAMOVYVKHJL-DEDYPNTBSA-N","135499232",NA,"PDBC40820","645889","Present"
-"N-(2,4-Dichlorophenyl)-8,10-dioxo-7,11-dioxaspiro[5.5]undecane-9-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-8,10-dioxo-7,11-dioxaspiro[5.5]undecane-9-carboxamide","","C1CCC2(CC1)OC(=O)C(C(=O)O2)C(=O)NC3=C(C=C(C=C3)Cl)Cl","DFUFRIVWCSIXBB-UHFFFAOYSA-N","390182",NA,"PDBC40821","687331","Present"
-"N-(2,4-Dichlorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","CC12CC(C(C(=O)N1)C(=O)NC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4O2","VQVGLJIQJXWRCS-UHFFFAOYSA-N","399143",NA,"PDBC40822","709562","Present"
-"N-(2,4-Dichlorophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dichlorophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","VEUWLYMTMCJJEX-UHFFFAOYSA-N","3000685",NA,"PDBC40823","646804","Present"
-"N-(2,4-Difluorophenyl)-3-(4-morpholinyl)propanamide","","","","","","","","","","","","","","","","","","","","Maybridge1_002890","","C1COCCN1CCC(=O)NC2=C(C=C(C=C2)F)F","SKAWLRSYPHYZPA-UHFFFAOYSA-N","334917",NA,"PDBC40824","342057","Present"
-"N-(2,4-Difluorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(2,4-Difluorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine","","C=C1CN=C(S1)NC2=C(C=C(C=C2)F)F","LNWPMACBZBNWTA-UHFFFAOYSA-N","383604",NA,"PDBC40825","672022","Present"
-"N-(2,4-Difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C=C(C=C3)F)F","HKRGRJHREZWSQC-UHFFFAOYSA-N","404081",NA,"PDBC40826","720202","Present"
-"N-(2,4-Dimethoxyphenyl)-2-(2,4-dioxohexahydro-5-pyrimidinyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethoxyphenyl)-2-(2,4-dioxohexahydro-5-pyrimidinyl)-2-oxoacetamide","","COC1=CC(=C(C=C1)NC(=O)C(=O)C2CNC(=O)NC2=O)OC","APTNRPQPNAXUHB-UHFFFAOYSA-N","371842",NA,"PDBC40827","646360","Present"
-"N-(2,4-Dimethoxyphenyl)-2-(hydroxyimino)-3-(3-hydroxy-2-quinoxalinyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethoxyphenyl)-2-(hydroxyimino)-3-(3-hydroxy-2-quinoxalinyl)propanamide","","COC1=CC(=C(C=C1)NC(=O)C(=NO)CC2=NC3=CC=CC=C3NC2=O)OC","YTLWDGPEWCMNBO-KQWNVCNZSA-N","9571336",NA,"PDBC40828","645896","Present"
-"N-(2,4-Dimethoxyphenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethoxyphenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide","","COC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=O)NC(=S)N2)OC","ZWXGVEPRAAYEPQ-UHFFFAOYSA-N","3004333",NA,"PDBC40829","646352","Present"
-"N-(2,4-Dimethoxyphenyl)-3-(3-hydroxy-6-nitroquinoxalin-2-yl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-dimethoxyphenyl)-3-(3-hydroxy-6-nitroquinoxalin-2...","","COC1=CC(=C(C=C1)NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)OC","VMMHEEIITIVKGM-UHFFFAOYSA-N","372135",NA,"PDBC40830","647089","Present"
-"N-(2,4-Dimethoxyphenyl)-7-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethoxyphenyl)-7-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxamide","","COC1=CC(=C(C=C1)NC(=O)C2=CC(=O)C3=C(C2=O)C=C(C=C3)O)OC","SQGDKDYXXQKVGU-UHFFFAOYSA-N","371569",NA,"PDBC40831","645898","Present"
-"N-(2,4-Dimethylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","CC1=CC(=C(C=C1)NC(=O)C(=O)CC(=O)C2CCOC2=O)C","CYSDHONYXUYIBC-UHFFFAOYSA-N","361008",NA,"PDBC40832","623741","Present"
-"N-(2,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C","BQBDQDNQNFHEFK-UHFFFAOYSA-N","366118",NA,"PDBC40833","634405","Present"
-"N-(2,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O)C","BUNHENLRGZALHQ-UHFFFAOYSA-N","366112",NA,"PDBC40834","634399","Present"
-"N-(2,4-Dimethylphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethylphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxoacetamide","","CC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)C)C","ZPHZKFHVJKGLJA-UHFFFAOYSA-N","371977",NA,"PDBC40835","646791","Present"
-"N-(2,4-Dimethylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","CC1=CC(=CC=C1)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)C)C","QZINZYOPMWSCGH-UHFFFAOYSA-N","135463833",NA,"PDBC40836","634480","Present"
-"N-(2,4-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","CC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)C","IIHBLOCSNFUZHN-UHFFFAOYSA-N","368945",NA,"PDBC40837","640350","Present"
-"N-(2,4-Dimethylphenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3,5-bis(4-hydroxy-3-methoxystyryl)-N-(2,4-dimethylphenyl...","","CC1=CC(=C(C=C1)NC(=O)N2C(=CC(=N2)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC)C","HBLMAHQPUHUQJR-JMQWPVDRSA-N","155814474",NA,"PDBC40838","757926","Present"
-"N-(2,4-Dimethylphenyl)-3-isobutyryl-2-oxoheptanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethylphenyl)-3-isobutyryl-2-oxoheptanamide","","CCCCC(C(=O)C(C)C)C(=O)C(=O)NC1=C(C=C(C=C1)C)C","VWDXFLXWWZRUOG-UHFFFAOYSA-N","364955",NA,"PDBC40839","631841","Present"
-"N-(2,4-Dimethylphenyl)-3-phenylacrylamide","","","","","","","","","","","","","","","","","","","","N-(2,4-DIMETHYLPHENYL)-3-PHENYLACRYLAMIDE","","CC1=CC(=C(C=C1)NC(=O)C=CC2=CC=CC=C2)C","LBOGMVZLOOVSQX-PKNBQFBNSA-N","721431",NA,"PDBC40840","191389","Present"
-"N-(2,4-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4)C","DARHRRKLYKFAEK-UHFFFAOYSA-N","369478",NA,"PDBC40841","641248","Present"
-"N-(2,4-Dinitroanilino)maleimide","","","","","","","","","","","","","","","","","","","","N-DAM","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN2C(=O)C=CC2=O","NBLHPQHLKDLIKS-UHFFFAOYSA-N","152320",NA,"PDBC40842","653499","Present"
-"N-(2,4-Dinitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dinitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide","","C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","FEUDCKTXWIBMCA-UHFFFAOYSA-N","365334",NA,"PDBC40843","632925","Present"
-"N-(2,4-Dioxo-1H-pyrimidin-5-yl)nitrous amide","","","","","","","","","","","","","","","","","","","","5-(Hydroxydiazenyl)pyrimidine-2,4-diol","","C1=C(C(=O)NC(=O)N1)NN=O","OIXPJPUFFXAGLN-UHFFFAOYSA-N","227928",NA,"PDBC40844","20116","Present"
-"N-(2,4-Dioxo-5,5-diphenyl-1,3-thiazinan-3-yl)-N-methylnitrous amide","","","","","","","","","","","","","","","","","","","","N-(2,4-Dioxo-5,5-diphenyl-1,3-thiazinan-3-yl)-N-methylnitrous amide","","CN(N=O)N1C(=O)C(CSC1=O)(C2=CC=CC=C2)C3=CC=CC=C3","CIVCDBNQNRXJNZ-UHFFFAOYSA-N","342855",NA,"PDBC40845","380743","Present"
-"N-(2,4-Xylyl)cyanothioformamide","","","","","","","","","","","","","","","","","","","","NCIMech_000067","","CC1=CC(=C(C=C1)NC(=S)C#N)C","VXJOTHCLHPEXMQ-UHFFFAOYSA-N","4682049",NA,"PDBC40846","369318","Present"
-"N-(2,5-Dichlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dichlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","C1=CC=C2C(=C1)NC(=O)C(S2(=O)=O)CC(=O)NC3=C(C=CC(=C3)Cl)Cl","LNYBVFLQHDQIAR-UHFFFAOYSA-N","366115",NA,"PDBC40847","634402","Present"
-"N-(2,5-Dichlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dichlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","C1=CC=C2C(=C1)NC(=O)C(S2=O)CC(=O)NC3=C(C=CC(=C3)Cl)Cl","JOYSVACVDYUTMT-UHFFFAOYSA-N","366120",NA,"PDBC40848","634407","Present"
-"N-(2,5-Dichlorophenyl)-2-(2,2-dimethyl-4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dichlorophenyl)-2-(2,2-dimethyl-4-oxo-3,10-dihydro-1H-phenothiazin-3-yl)-2-oxoacetamide","","CC1(CC2=C(C(=O)C1C(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl)SC4=CC=CC=C4N2)C","HWTOLSWCHKVEEN-UHFFFAOYSA-N","373352",NA,"PDBC40849","649568","Present"
-"N-(2,5-Dichlorophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dichlorophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","C1=CC(=C(C=C1Cl)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)Cl","HXGLKNKJJJLXJN-UHFFFAOYSA-N","371845",NA,"PDBC40850","646364","Present"
-"N-(2,5-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","C1=CC(=C(C=C1Cl)NC(=O)CCC2=NNC(=S)O2)Cl","CFUTVILZFDELSE-UHFFFAOYSA-N","3004202",NA,"PDBC40851","636102","Present"
-"N-(2,5-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","C1=CC(=C(C=C1Cl)NC(=O)CCC2=NC(=S)NN2)Cl","AZMGNIOPNFXTQV-UHFFFAOYSA-N","3004070",NA,"PDBC40852","625821","Present"
-"N-(2,5-Dichlorophenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dichlorophenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide","","C1=CC=C2C(=C1)N=CC(=N2)C(C(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]","QPXNZMLOEBJWCU-UHFFFAOYSA-N","370981",NA,"PDBC40853","644787","Present"
-"N-(2,5-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl","NMDGCEFDWLGNQX-UHFFFAOYSA-N","364324",NA,"PDBC40854","630340","Present"
-"N-(2,5-Dihydroxystyryl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dihydroxystyryl)acetamide","","CC(=O)NC=CC1=C(C=CC(=C1)O)O","TYVCZBIWWRZZHO-SNAWJCMRSA-N","6105823",NA,"PDBC40855","625301","Present"
-"N-(2,5-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine","","COC1=CC(=C(C=C1)OC)N=CC2=CC(=C(C(=C2)OC)OC)OC","JBQWWSOCQKSNBJ-UHFFFAOYSA-N","396379",NA,"PDBC40856","702332","Present"
-"N-(2,5-Dimethoxyphenyl)-3-(((2,5-dimethoxyphenyl)sulfonyl)amino)-2-methyl-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-methyl-4-oxoquinazoline-6-sulfonamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)OC)OC)C(=O)N1NS(=O)(=O)C4=C(C=CC(=C4)OC)OC","HKXOFNRKPMNGOI-UHFFFAOYSA-N","390429",NA,"PDBC40857","687783","Present"
-"N-(2,5-Dimethoxyphenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethoxyphenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-2,4-dioxo-butanamide","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(=O)C(=O)NC5=C(C=CC(=C5)OC)OC","JRSCQQPMXVXDJV-UHFFFAOYSA-N","370959",NA,"PDBC40858","644764","Present"
-"N-(2,5-Dimethoxyphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethoxyphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","COC1=CC(=C(C=C1)OC)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","SCYNTKUOZGLNSD-UHFFFAOYSA-N","369260",NA,"PDBC40859","640991","Present"
-"N-(2,5-Dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-((4-(hydroxy(oxido)amino)phenyl)hydrazono)-7-oxoheptanamide","","","","","","","","","","","","","","","","","","","","(5E)-N-(2,5-Dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-[(4-nitrophenyl)hydrazinylidene]-7-oxoheptanamide","","COC1=CC(=C(C=C1)OC)NC(=O)CCCC(=NNC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)C3=CC(=C(C=C3)O)OC","QBQLGLZARHBUQC-AJBULDERSA-N","9569983",NA,"PDBC40860","630306","Present"
-"N-(2,5-Dimethoxyphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethoxyphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","COC1=CC(=C(C=C1)OC)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S","OIAAZNGSMSBDBK-UHFFFAOYSA-N","3000689",NA,"PDBC40861","648614","Present"
-"N-(2,5-Dimethylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)CC(=O)C2CCOC2=O","DNUROYBYTJZZAQ-UHFFFAOYSA-N","361014",NA,"PDBC40862","623747","Present"
-"N-(2,5-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=CC(=C(C=C1)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","ZCTUUXXPXUVAIW-UHFFFAOYSA-N","366116",NA,"PDBC40863","634403","Present"
-"N-(2,5-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N","HJPKKBAVMOUFAV-UHFFFAOYSA-N","364944",NA,"PDBC40864","631830","Present"
-"N-(2,5-Dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","NSC634398///2H-1,4-Benzothiazin-3-one, 3,4-dihydro-2-[2-[(2,5-dimeth...","","CC1=CC(=C(C=C1)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","NHJMZJXUSPDTJB-UHFFFAOYSA-N","366111",NA,"PDBC40865","634398///637603","Present"
-"N-(2,5-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide","","","","","","","","","","","","","","","","","","","","2',5'-salicyloxylidide, 3-nitro-","","CC1=CC(=C(C=C1)C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","ZHSZKAUBTWMIHX-UHFFFAOYSA-N","45953",NA,"PDBC40866","82029","Present"
-"N-(2,5-Dimethylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","CC1=CC(=C(C=C1)C)NC(=O)CCC2=NC(=S)NN2","KDKSUKFFQJGRQN-UHFFFAOYSA-N","3004191",NA,"PDBC40867","635555","Present"
-"N-(2,5-Dimethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","CC1=CC(=C(C=C1)C)NC(=O)CCC2=NNC(=S)O2","PVVJHSULBFZEOP-UHFFFAOYSA-N","3004207",NA,"PDBC40868","636108","Present"
-"N-(2,5-Dimethylphenyl)-3-(hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanamide","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","YXWSTVMWRYIPNV-UHFFFAOYSA-N","372921",NA,"PDBC40869","648633","Present"
-"N-(2,5-Dimethylphenyl)-3-(isonicotinoylhydrazono)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-3-(isonicotinoylhydrazono)butanamide","","CC1=CC(=C(C=C1)C)NC(=O)CC(=NNC(=O)C2=CC=NC=C2)C","SICJKIQCDFCVSD-KGENOOAVSA-N","9571668",NA,"PDBC40870","641861","Present"
-"N-(2,5-Dimethylphenyl)-4,6-dioxooctanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-4,6-dioxooctanamide","","CCC(=O)CC(=O)CCC(=O)NC1=C(C=CC(=C1)C)C","YKFFUEGKFJWNEF-UHFFFAOYSA-N","361085",NA,"PDBC40871","623890","Present"
-"N-(2,5-Dimethylphenyl)-4-(1-naphthyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-4-(1-naphthyl)-2,4-dioxobutanamide","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)CC(=O)C2=CC=CC3=CC=CC=C32","VIBKNVCDKSZYJG-UHFFFAOYSA-N","364967",NA,"PDBC40872","631853","Present"
-"N-(2,5-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","WBZYQVHSUBWZCY-UHFFFAOYSA-N","366287",NA,"PDBC40873","634638","Present"
-"N-(2,5-Dimethylphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","KDVUAQJLFSKMCS-UHFFFAOYSA-N","369254",NA,"PDBC40874","640985","Present"
-"N-(2,5-Dimethylphenyl)-7,7-dimethyl-4,6-dioxooctanamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-7,7-dimethyl-4,6-dioxooctanamide","","CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)CC(=O)C(C)(C)C","AGUZVYKWWWFYKP-UHFFFAOYSA-N","361087",NA,"PDBC40875","623892","Present"
-"N-(2,5-Dimethylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dimethylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","CC1=CC(=C(C=C1)C)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S","BRBZRVKHWFYOQC-UHFFFAOYSA-N","3000682",NA,"PDBC40876","644776","Present"
-"N-(2,5-Dioxo-6H-pyrano[3,2-c]quinolin-3-yl)pyrazine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dioxo-6H-pyrano[3,2-c]quinolin-3-yl)pyrazine-2-carboxamide","","C1=CC=C2C(=C1)C3=C(C=C(C(=O)O3)NC(=O)C4=NC=CN=C4)C(=O)N2","XMXBHIZNDMHXCY-UHFFFAOYSA-N","392002",NA,"PDBC40877","691796","Present"
-"N-(2,5-Dioxopyrano[3,2-c]chromen-3-yl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dioxopyrano[3,2-c]chromen-3-yl)pyridine-3-carboxamide","","C1=CC=C2C(=C1)C3=C(C=C(C(=O)O3)NC(=O)C4=CN=CC=C4)C(=O)O2","LAPPAYFJPFBKNZ-UHFFFAOYSA-N","392001",NA,"PDBC40878","691795","Present"
-"N-(2,5-Dioxopyrrol-1-yl)-2-[2-[(2,5-dioxopyrrol-1-yl)carbamoyl]anilino]benzamide","","","","","","","","","","","","","","","","","","","","N-(2,5-Dioxopyrrol-1-yl)-2-[2-[(2,5-dioxopyrrol-1-yl)carbamoyl]anilino]benzamide","","C1=CC=C(C(=C1)C(=O)NN2C(=O)C=CC2=O)NC3=CC=CC=C3C(=O)NN4C(=O)C=CC4=O","UXSOGYFOCJVJNA-UHFFFAOYSA-N","394751",NA,"PDBC40879","698454","Present"
-"N-(2,6-DIMETHYLPHENYL)-3-PHENYLACRYLAMIDE","","","","","","","","","","","","","","","","","","","","N-(2,6-DIMETHYLPHENYL)-3-PHENYLACRYLAMIDE","","CC1=C(C(=CC=C1)C)NC(=O)C=CC2=CC=CC=C2","RGVUJGWQEVQKSO-VAWYXSNFSA-N","791813",NA,"PDBC40880","191387","Present"
-"N-(2,6-Dichloro-4-(hydroxy(oxido)amino)phenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dichloro-4-nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=NC=C3)C(=O)C(=O)NC4=C(C=C(C=C4Cl)[N+](=O)[O-])Cl","KHVQTKNNPACEFM-UHFFFAOYSA-N","371550",NA,"PDBC40881","645879","Present"
-"N-(2,6-Dichloro-4-(hydroxy(oxido)amino)phenyl)-2-(4,6-dioxo-2-thioxohexahydro-5-pyrimidinyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dichloro-4-nitrophenyl)-2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-oxoacetamide","","C1=C(C=C(C(=C1Cl)NC(=O)C(=O)C2C(=O)NC(=S)NC2=O)Cl)[N+](=O)[O-]","VKYZUTWNVKMMBR-UHFFFAOYSA-N","3004368",NA,"PDBC40882","648629","Present"
-"N-(2,6-Dichloro-4-(hydroxy(oxido)amino)phenyl)-2-hydrazono-3-(hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)propanamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(2,6-Dichloro-4-nitrophenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide","","C1=CC2=NC=C(N=C2C=C1[N+](=O)[O-])C(C(=NN)C(=O)NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]","HQVIEEROQCAVIJ-IWIPYMOSSA-N","9571283",NA,"PDBC40883","640970","Present"
-"N-(2,6-Dichloro-4-nitrophenyl)-3-nitro-2-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dichloro-4-nitro-phenyl)-3-nitro-2-oxo-3-(3-oxo-1H-isobenzofuran-1-yl)propanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C(=O)NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]","WKICHCKLCBACCD-UHFFFAOYSA-N","369443",NA,"PDBC40884","641213","Present"
-"N-(2,6-Dichlorophenyl)-2-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dichlorophenyl)-2-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide","","CN(C1=C(C=CC=C1Cl)Cl)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","KCXXIBBVMJMFOP-UHFFFAOYSA-N","383166",NA,"PDBC40885","671279","Present"
-"N-(2,6-Dichlorophenyl)-2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dichlorophenyl)-2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanamide","","CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4","OMIUNFVAQHFVKB-UHFFFAOYSA-N","375240",NA,"PDBC40886","654629","Present"
-"N-(2,6-Dichlorophenyl)-2-methyl-2-(4-(3-oxo-3-phenyl-1-propenyl)phenoxy)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dichlorophenyl)-2-methyl-2-(4-(3-oxo-3-phenyl-1-propenyl)phenoxy)propanamide","","CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3","FRDZQCMQNOCJBD-DTQAZKPQSA-N","5467517",NA,"PDBC40887","654631","Present"
-"N-(2,6-Dichlorophenyl)-3-((2-naphthylsulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dichlorophenyl)-3-((2-naphthylsulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NN3C=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=C(C=CC=C5Cl)Cl","MNMWSQRTWJKIHY-UHFFFAOYSA-N","390424",NA,"PDBC40888","687778","Present"
-"N-(2,6-Dichlorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea","","","","","","","","","","","","","","","","","","","","N-(2,6-Dichlorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=C(C=CC=C3Cl)Cl","SWXWFSOEDYUFKA-UHFFFAOYSA-N","311401",NA,"PDBC40889","216633","Present"
-"N-(2,6-Diethylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Diethylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide","","CCC1=C(C(=CC=C1)CC)NC(=O)CC2C(=O)N=C(S2)N","ZKUBGIMXJKINIO-UHFFFAOYSA-N","365370",NA,"PDBC40890","632956","Present"
-"N-(2,6-Difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C=CC=C3F)F","YRSYXODRWQMJDA-UHFFFAOYSA-N","404080",NA,"PDBC40891","720201","Present"
-"N-(2,6-Diisopropylphenyl)-2-oxo-2-(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Diisopropylphenyl)-2-oxo-2-(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)acetamide","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C2C(=O)NC(=S)S2","YRBVWJLJJHQCID-UHFFFAOYSA-N","3004315",NA,"PDBC40892","644738","Present"
-"N-(2,6-Diisopropylphenyl)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Diisopropylphenyl)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxopropanamide","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O","JGMORPPRUGATOM-UHFFFAOYSA-N","372136",NA,"PDBC40893","647090","Present"
-"N-(2,6-Diisopropylphenyl)-4-(2-(2,6-dimethylanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Diisopropylphenyl)-4-(2-(2,6-dimethylanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","CC1=C(C(=CC=C1)C)NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C)C","YAQLRBUJXXOQHP-UHFFFAOYSA-N","376631",NA,"PDBC40894","657662","Present"
-"N-(2,6-Diisopropylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Diisopropylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","MIADHZXPFCQCKV-UHFFFAOYSA-N","369462",NA,"PDBC40895","641232","Present"
-"N-(2,6-Diisopropylphenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Diisopropylphenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C","ZXMYTRIECTZZHI-UHFFFAOYSA-N","364323",NA,"PDBC40896","630339","Present"
-"N-(2,6-Diisopropylphenyl)-4-hydrazino-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Diisopropylphenyl)-4-hydrazino-4-oxobutanamide","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCC(=O)NN","BNXLXYARDFOKPG-UHFFFAOYSA-N","366938",NA,"PDBC40897","636101","Present"
-"N-(2,6-Diisopropylphenyl)-N'-phenylthiourea","","","","","","","","","","","","","","","","","","","","N-(2,6-Diisopropylphenyl)-N'-phenylthiourea","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=S)NC2=CC=CC=C2","MVELWMJHOLQQFQ-UHFFFAOYSA-N","3004042",NA,"PDBC40898","624223","Present"
-"N-(2,6-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide","","CC1CCCCC12N(C(=O)C(S2)C)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5","CNSZBMGIEYPERN-UHFFFAOYSA-N","24205425",NA,"PDBC40899","735519","Present"
-"N-(2,6-Dimethylphenyl)-2,4-dioxo-6-phenyl-5-hexenamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-2,4-dioxo-6-phenyl-5-hexenamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)CC(=O)C=CC2=CC=CC=C2","FQVCPZHNWQFZFA-VAWYXSNFSA-N","5467219",NA,"PDBC40900","648623","Present"
-"N-(2,6-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N","RPHKOCZBRJWBHH-UHFFFAOYSA-N","364961",NA,"PDBC40901","631847","Present"
-"N-(2,6-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O","PWGKUSPCSXEVGN-UHFFFAOYSA-N","371574",NA,"PDBC40902","645902","Present"
-"N-(2,6-Dimethylphenyl)-3-(5-ethyl-1H-pyrazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-3-(5-ethyl-1H-pyrazol-3-yl)propanamide","","CCC1=NNC(=C1)CCC(=O)NC2=C(C=CC=C2C)C","NCFXPDUAOWKQRD-UHFFFAOYSA-N","365138",NA,"PDBC40903","632239","Present"
-"N-(2,6-Dimethylphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCC2=NN=C(O2)SC","PQIMOGWVWLUGTR-UHFFFAOYSA-N","367614",NA,"PDBC40904","637446","Present"
-"N-(2,6-Dimethylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCC2=NC(=S)NN2","DBABNOPZKHHUST-UHFFFAOYSA-N","3004189",NA,"PDBC40905","635532","Present"
-"N-(2,6-Dimethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCC2=NNC(=S)O2","VMQMRUFAPLEUEQ-UHFFFAOYSA-N","3004204",NA,"PDBC40906","636104","Present"
-"N-(2,6-Dimethylphenyl)-4-(2-(4-hydroxy-2-naphthoyl)hydrazino)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-4-(2-(4-hydroxy-2-naphthoyl)hydrazino)-4-oxobutanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NNC(=O)C2=CC3=CC=CC=C3C(=C2)O","GKHKOKFWBBNAJQ-UHFFFAOYSA-N","364282",NA,"PDBC40907","630300","Present"
-"N-(2,6-Dimethylphenyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,4-dioxobutanamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]","PVBYZAKVTVJSOI-UHFFFAOYSA-N","361455",NA,"PDBC40908","624477","Present"
-"N-(2,6-Dimethylphenyl)-4-{2-[(2,6-dimethylphenyl)amino]-4-methyl-1,3-thiazol-5-yl}-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","4-[2-(2,6-Dimethylanilino)-4-methyl-1,3-thiazol-5-yl]-N-(2,6-dimethylphenyl)-2,4-dioxobutanamide","","CC1=C(C(=CC=C1)C)NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C)C)C","OLFHKUPTVNGLGB-UHFFFAOYSA-N","376613",NA,"PDBC40909","657644","Present"
-"N-(2,6-Dimethylphenyl)-5,7-dioxo-9-phenyl-8-nonenamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-5,7-dioxo-9-phenyl-8-nonenamide","","CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)CC(=O)C=CC2=CC=CC=C2","ADZXVCZVHDHMDP-CCEZHUSRSA-N","5387551",NA,"PDBC40910","624466","Present"
-"N-(2,6-Dimethylphenyl)-5-(2,5-dioxocyclohexyl)-5-oxopentanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-5-(2,5-dioxocyclohexyl)-5-oxopentanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C2CC(=O)CCC2=O","VHEILBCHMZBBPB-UHFFFAOYSA-N","361449",NA,"PDBC40911","624471","Present"
-"N-(2,6-Dimethylphenyl)-5-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-5-oxopentanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-5-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-5-oxopentanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C2CCCC2=NNC(=O)C(=O)NN","WYVUVYINWZFKOG-BUVRLJJBSA-N","6381305",NA,"PDBC40912","632034","Present"
-"N-(2,6-Dimethylphenyl)-5-ethyl-2-mercapto-6-propyl-1,2-dihydro-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-5-ethyl-2-mercapto-6-propyl-1,2-dihydro-4-pyrimidinecarboxamide","","CCCC1=C(C(=NC(N1)S)C(=O)NC2=C(C=CC=C2C)C)CC","MLQHAAOMWSJADT-UHFFFAOYSA-N","361454",NA,"PDBC40913","624476","Present"
-"N-(2,6-Dimethylphenyl)-5-hydroxy-2,4-dioxopentanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-5-hydroxy-2,4-dioxopentanamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)CC(=O)CO","XLTCZSPQLPVGFT-UHFFFAOYSA-N","364960",NA,"PDBC40914","631846","Present"
-"N-(2,6-Dimethylphenyl)-6-((hydrazinocarbonyl)hydrazono)-4-oxooctanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-6-((hydrazinocarbonyl)hydrazono)-4-oxooctanamide","","CCC(=NNC(=O)NN)CC(=O)CCC(=O)NC1=C(C=CC=C1C)C","DNWSTEPLOQMOLJ-FYJGNVAPSA-N","5848273",NA,"PDBC40915","630371","Present"
-"N-(2,6-Dimethylphenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCCC(=NNC(=O)C(=O)NN)CC(=O)C2=CC=C(C=C2)F","YDUAWSZWERROOO-MTDXEUNCSA-N","5922954",NA,"PDBC40916","632022","Present"
-"N-(2,6-Dimethylphenyl)-7-methyl-4,6-dioxooctanamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-7-methyl-4,6-dioxooctanamide","","CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)CC(=O)C(C)C","SCWNIIJBUDJKAJ-UHFFFAOYSA-N","365082",NA,"PDBC40917","632040","Present"
-"N-(2,6-Dimethylphenyl)-N'-(2-hydrazino-4-oxoquinazolin-3(4H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dimethylphenyl)-N'-(2-hydrazino-4-oxoquinazolin-3(4H)-yl)ethanediamide","","CC1=C(C(=CC=C1)C)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3N=C2NN","CNVUUCBZYYVNDS-UHFFFAOYSA-N","371991",NA,"PDBC40918","646806","Present"
-"N-(2,6-Dioxo-3-piperidinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2,6-Dioxo-3-piperidinyl)benzamide","","C1CC(=O)NC(=O)C1NC(=O)C2=CC=CC=C2","QDCDITVKCKBZTO-UHFFFAOYSA-N","341427",NA,"PDBC40919","373535","Present"
-"N-(2,7-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2,7-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide","","CC1CCCC2(C1)N(C(=O)C(S2)C)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5","XJGLMRWTFIZFPX-UHFFFAOYSA-N","24205427",NA,"PDBC40920","735521","Present"
-"N-(2,8-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2,8-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide","","CC1CCC2(CC1)N(C(=O)C(S2)C)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5","OWWDHOVZCCGTIR-UHFFFAOYSA-N","24205428",NA,"PDBC40921","735522","Present"
-"N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)leucine","","","","","","","","","","","","","","","","","","","","N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)leucine","","CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)N=NC1=CC=C(C=C1)OC","MJHUJOUZLYEWDE-UHFFFAOYSA-N","386435",NA,"PDBC40922","678403","Present"
-"N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)phenylalanine","","","","","","","","","","","","","","","","","","","","N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)phenylalanine","","CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)N=NC2=CC=C(C=C2)OC","POOWYGANGFCAOK-UHFFFAOYSA-N","386436",NA,"PDBC40923","678404","Present"
-"N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)phenylalanine","","","","","","","","","","","","","","","","","","","","N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)phenylalanine","","CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2","QVCSRZCETZPGOY-UHFFFAOYSA-N","382257",NA,"PDBC40924","669712","Present"
-"N-(2-((2,2-Dimethoxyethyl)(methyl)amino)-1-methyl-2-oxoethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-((2,2-Dimethoxyethyl)(methyl)amino)-1-methyl-2-oxoethyl)benzamide","","CC(C(=O)N(C)CC(OC)OC)NC(=O)C1=CC=CC=C1","FCCCZAMISCLZHU-UHFFFAOYSA-N","387025",NA,"PDBC40925","680345","Present"
-"N-(2-((2,2-Dimethoxyethyl)amino)-2-oxoethyl)-4-(trifluoromethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-((2,2-Dimethoxyethyl)amino)-2-oxoethyl)-4-(trifluoromethyl)benzamide","","COC(CNC(=O)CNC(=O)C1=CC=C(C=C1)C(F)(F)F)OC","JKPSXUFUZVVCQQ-UHFFFAOYSA-N","387026",NA,"PDBC40926","680346","Present"
-"N-(2-((2-((2,2-Dimethoxyethyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-((2-((2,2-Dimethoxyethyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethyl)benzamide","","CC(C(=O)NC(C)C(=O)NCC(OC)OC)NC(=O)C1=CC=CC=C1","HROVJYOWBWNZPQ-UHFFFAOYSA-N","387024",NA,"PDBC40927","680344","Present"
-"N-(2-((2-Acetyl-5-methyl-1-phenyl-3-pyrazolidinyl)amino)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-((2-Acetyl-5-methyl-1-phenyl-3-pyrazolidinyl)amino)phenyl)acetamide","","CC1CC(N(N1C2=CC=CC=C2)C(=O)C)NC3=CC=CC=C3NC(=O)C","HYCZSYWQTXISLX-UHFFFAOYSA-N","377020",NA,"PDBC40928","658238","Present"
-"N-(2-((2-Amino-1-methyl-2-oxoethyl)amino)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-5-oxo-2-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[1-[(1-Amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide","","CC(C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)C2CCC(=O)N2","XIAONHZTACAXQL-UHFFFAOYSA-N","381829",NA,"PDBC40929","668902","Present"
-"N-(2-((2-Hydroxyethyl)amino)ethyl)-2-((3-nitrophenyl)methylene)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2-((2-Hydroxyethyl)amino)ethyl)-2-((3-nitrophenyl)methylene)hydrazinecarboxamide","","C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)NCCNCCO","DCWLAUJJEKQIOH-OQLLNIDSSA-N","9554130",NA,"PDBC40930","656197","Present"
-"N-(2-((2-Hydroxyethyl)amino)ethyl)-2-((4-nitrophenyl)methylene)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2-((2-Hydroxyethyl)amino)ethyl)-2-((4-nitrophenyl)methylene)hydrazinecarboxamide","","C1=CC(=CC=C1C=NNC(=O)NCCNCCO)[N+](=O)[O-]","AZXVYRDWKXSUMC-OQLLNIDSSA-N","9554131",NA,"PDBC40931","666461","Present"
-"N-(2-((2-Hydroxyethyl)amino)ethyl)-2-(phenylmethylene)hydrazinecarboxamide ethanedioate","","","","","","","","","","","","","","","","","","","","N-(2-((2-Hydroxyethyl)amino)ethyl)-2-(phenylmethylene)hydrazinecarboxamide ethanedioate","","C1=CC=C(C=C1)C=NNC(=O)NCCNCCO.C(=O)(C(=O)O)O","HOYULAVPNXYIAN-GYVLLFFHSA-N","9571797",NA,"PDBC40932","656195","Present"
-"N-(2-((3-(3,5-Dichloro-2,4,6-trimethylphenyl)-5-methyl-4-isoxazolyl)sulfonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-((3-(3,5-Dichloro-2,4,6-trimethylphenyl)-5-methyl-4-isoxazolyl)sulfonyl)phenyl)acetamide","","CC1=C(C(=C(C(=C1Cl)C)Cl)C)C2=NOC(=C2S(=O)(=O)C3=CC=CC=C3NC(=O)C)C","UXZCWSVCQYLGRO-UHFFFAOYSA-N","388900",NA,"PDBC40933","684131","Present"
-"N-(2-((9,10-Dioxo-4-((2-((2-pyrrolidinylcarbonyl)amino)ethyl)amino)-9,10-dihydro-1-anthracenyl)amino)ethyl)-2-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[[9,10-Dioxo-4-[2-(pyrrolidine-2-carbonylamino)ethylamino]anthracen-1-yl]amino]ethyl]pyrrolidine-2-carboxamide","","C1CC(NC1)C(=O)NCCNC2=C3C(=C(C=C2)NCCNC(=O)C4CCCN4)C(=O)C5=CC=CC=C5C3=O","BKRUUJNVSXVUNH-UHFFFAOYSA-N","438926",NA,"PDBC40934","684442","Present"
-"N-(2-((Hydrazinocarbothioyl)(methyl)amino)ethyl)-N-methylhydrazinecarbothioamide","","","","","","","","","","","","","","","","","","","","N-(2-((Hydrazinocarbothioyl)(methyl)amino)ethyl)-N-methylhydrazinecarbothioamide","","CN(CCN(C)C(=S)NN)C(=S)NN","HTXOIMDPEVRNLK-UHFFFAOYSA-N","3005302",NA,"PDBC40935","689542","Present"
-"N-(2-((Tert-Butyl(dimethyl)silyl)oxy)ethyl)-4,4-diethoxy-2-(2-methyl-2-propenyl)-3-oxo-1-cyclobutene-1-carbothioamide","","","","","","","","","","","","","","","","","","","","N-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-4,4-diethoxy-2-(2-methylprop-2-enyl)-3-oxocyclobutene-1-carbothioamide","","CCOC1(C(=C(C1=O)CC(=C)C)C(=S)NCCO[Si](C)(C)C(C)(C)C)OCC","CXTJAJDQXRSDNW-UHFFFAOYSA-N","3005406",NA,"PDBC40936","698085","Present"
-"N-(2-(1,3-Benzodioxol-5-yl)-1-methylethyl)-N,1-dimethyl-1,2,3,6-tetrahydro-4-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2-(1,3-Benzodioxol-5-yl)-1-methylethyl)-N,1-dimethyl-1,2,3,6-tetrahydro-4-pyridinecarboxamide","","CC(CC1=CC2=C(C=C1)OCO2)N(C)C(=O)C3=CCN(CC3)C","VAUAWCMCYOOEPN-UHFFFAOYSA-N","388480",NA,"PDBC40937","683436","Present"
-"N-(2-(1,3-Benzothiazol-2-ylthio)ethyl)aniline","","","","","","","","","","","","","","","","","","","","N-(2-(1,3-Benzothiazol-2-ylthio)ethyl)aniline","","C1=CC=C(C=C1)NCCSC2=NC3=CC=CC=C3S2","BOQLVKIEUFJUMR-UHFFFAOYSA-N","273059",NA,"PDBC40938","117908","Present"
-"N-(2-(1-(1-Hydroxycyclohexyl)propyl)-4-oxo-3(4H)-quinazolinyl)-2,2-dimethylpropanamide","","","","","","","","","","","","","","","","","","","","N-(2-(1-(1-Hydroxycyclohexyl)propyl)-4-oxo-3(4H)-quinazolinyl)-2,2-dimethylpropanamide","","CCC(C1=NC2=CC=CC=C2C(=O)N1NC(=O)C(C)(C)C)C3(CCCCC3)O","GLPJJKCYLABBOL-UHFFFAOYSA-N","393574",NA,"PDBC40939","695644","Present"
-"N-(2-(1-Benzoyl-4-(hydroxy(oxido)amino)-4-piperidinyl)ethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-(1-Benzoyl-4-(hydroxy(oxido)amino)-4-piperidinyl)ethyl)benzamide","","C1CN(CCC1(CCNC(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3","PCWSHUXPYJPZPP-UHFFFAOYSA-N","387088",NA,"PDBC40940","680479","Present"
-"N-(2-(1H-1,2,3-Benzotriazol-6-yl)ethyl)-N-(2-[1,1'-biphenyl]-4-ylethyl)-N-propylamine","","","","","","","","","","","","","","","","","","","","N-(2-(1H-1,2,3-Benzotriazol-6-yl)ethyl)-N-(2-[1,1'-biphenyl]-4-ylethyl)-1-propanamine","","CCCN(CCC1=CC=C(C=C1)C2=CC=CC=C2)CCC3=CC4=NNN=C4C=C3","UFXQUNBIPIMHTJ-UHFFFAOYSA-N","395137",NA,"PDBC40941","699428","Present"
-"N-(2-(2,2-Di(1H-indol-3-yl)ethyl)phenyl)-3-phenyl-2-propynamide","","","","","","","","","","","","","","","","","","","","N-(2-(2,2-Di(1H-indol-3-yl)ethyl)phenyl)-3-phenyl-2-propynamide","","C1=CC=C(C=C1)C#CC(=O)NC2=CC=CC=C2CC(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65","GPUBFXAMLNUTNX-UHFFFAOYSA-N","370358",NA,"PDBC40942","643421","Present"
-"N-(2-(2-(4-Morpholinyl)-2-cyclopenten-1-ylidene)-3-phenyl-4-(phenylimino)-1,3-thiazolidin-5-ylidene)aniline","","","","","","","","","","","","","","","","","","","","(2Z)-2-(2-Morpholinocyclopent-2-en-1-ylidene)-N4,N5,3-triphenyl-thiazolidine-4,5-diimine","","C1CC(=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5)C(=C1)N6CCOCC6","NCJVLFFKSDUQSL-VIUPQHNISA-N","3005095",NA,"PDBC40943","671370","Present"
-"N-(2-(2-Acetyl-6-methoxy-1H-indol-3-yl)ethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-(2-Acetyl-6-methoxy-1H-indol-3-yl)ethyl)acetamide","","CC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)CCNC(=O)C","WSFMBVMERJPLAV-UHFFFAOYSA-N","363625",NA,"PDBC40944","628654","Present"
-"N-(2-(2-Acetyl-7-(hydroxy(oxido)amino)-6-methoxy-1H-indol-3-yl)ethyl)-3-phenylacrylamide","","","","","","","","","","","","","","","","","","","","N-(2-(2-Acetyl-7-(hydroxy(oxido)amino)-6-methoxy-1H-indol-3-yl)ethyl)-3-phenylacrylamide","","CC(=O)C1=C(C2=C(N1)C(=C(C=C2)OC)[N+](=O)[O-])CCNC(=O)C=CC3=CC=CC=C3","UCVMCGBMQOQNEJ-DHZHZOJOSA-N","5877508",NA,"PDBC40945","628655","Present"
-"N-(2-(2-Amino-6-hydroxy-7H-purin-7-yl)ethyl)-2-(2-methoxyethoxy)-N-(2-(2-oxo-4-(tritylamino)-1(2H)-pyrimidinyl)ethyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Amino-6-oxo-1H-purin-7-yl)ethyl]-2-(2-methoxyethoxy)-N-[2-[2-oxo-4-(tritylamino)pyrimidin-1-yl]ethyl]acetamide","","COCCOCC(=O)N(CCN1C=CC(=NC1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCN5C=NC6=C5C(=O)NC(=N6)N","BFRZYYLVGUFQOF-UHFFFAOYSA-N","135403406",NA,"PDBC40946","639798","Present"
-"N-(2-(2-Hydroxyphenyl)-1-(4-methyl-5-oxo-1,3-oxazolidin-2-yl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-(2-Hydroxyphenyl)-1-(4-methyl-5-oxo-1,3-oxazolidin-2-yl)vinyl)benzamide","","CC1C(=O)OC(N1)C(=CC2=CC=CC=C2O)NC(=O)C3=CC=CC=C3","JLJNCYCVSFKQGY-PTNGSMBKSA-N","6477565",NA,"PDBC40947","690947","Present"
-"N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)-2-nitro-1H-imidazole-1-acetamide","","","","","","","","","","","","","","","","","","","","N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)-2-nitro-1H-imidazole-1-acetamide","","CC1=NC=C(N1CCNC(=O)CN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","OLBKKJWKUWGTRS-UHFFFAOYSA-N","370831",NA,"PDBC40948","644497","Present"
-"N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)-2-nitro-1H-imidazole-1-propanamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Methyl-5-nitroimidazolyl)ethyl]-3-(2-nitroimidaz...","","CC1=NC=C(N1CCNC(=O)CCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","VALXKZQMIDSFJS-UHFFFAOYSA-N","373387",NA,"PDBC40949","649614","Present"
-"N-(2-(3,4-Dichlorophenyl)-1-((hexadecylamino)carbonyl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-(3,4-Dichlorophenyl)-1-((hexadecylamino)carbonyl)vinyl)benzamide","","CCCCCCCCCCCCCCCCNC(=O)C(=CC1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC=CC=C2","GAMFYXIJSUHSPR-QCWLDUFUSA-N","5880148",NA,"PDBC40950","659441","Present"
-"N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(2-(hydroxymethyl)-4,5-dimethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(2-(hydroxymethyl)-4,5-dimethoxyphenyl)acetamide","","COC1=C(C=C(C=C1)CCNC(=O)CC2=CC(=C(C=C2CO)OC)OC)OC","KAWHHEBEDVFXRV-UHFFFAOYSA-N","390030",NA,"PDBC40951","686945","Present"
-"N-(2-(3,4-Dimethoxyphenyl)ethyl)-3-(9H-fluoren-9-yl)-1-propanamine","","","","","","","","","","","","","","","","","","","","N-(2-(3,4-Dimethoxyphenyl)ethyl)-3-(9H-fluoren-9-yl)-1-propanamine","","COC1=C(C=C(C=C1)CCNCCCC2C3=CC=CC=C3C4=CC=CC=C24)OC","YSRBMOPBDXEQTE-UHFFFAOYSA-N","372579",NA,"PDBC40952","647939","Present"
-"N-(2-(3,4-Dimethoxyphenyl)ethyl)-6-hydroxyhexanamide","","","","","","","","","","","","","","","","","","","","N-(2-(3,4-Dimethoxyphenyl)ethyl)-6-hydroxyhexanamide","","COC1=C(C=C(C=C1)CCNC(=O)CCCCCO)OC","WDILLUHMYZHJGR-UHFFFAOYSA-N","390027",NA,"PDBC40953","686942","Present"
-"N-(2-(3,4-Dimethylbenzoyl)phenyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-(3,4-dimethylbenzoyl)phenyl)-4-methylbenzenesulfona...","","CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)C3=CC(=C(C=C3)C)C","CZHKNJDXPPNMFV-UHFFFAOYSA-N","266881",NA,"PDBC40954","105687","Present"
-"N-(2-(3,5-Bis(benzyloxy)phenyl)ethyl)-3-(3,5-dihydroxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-(3,5-Bis(benzyloxy)phenyl)ethyl)-3-(3,5-dihydroxyphenyl)propanamide","","C1=CC=C(C=C1)COC2=CC(=CC(=C2)CCNC(=O)CCC3=CC(=CC(=C3)O)O)OCC4=CC=CC=C4","NAYXDIASMIYIHE-UHFFFAOYSA-N","389924",NA,"PDBC40955","686577","Present"
-"N-(2-(3,5-Dimethoxyphenyl)-1-methylethyl)acetamide","","","","","","","","","","","","","","","","","","","","(S)-(+)-N-1-(3,5-Dimethoxybenzyl)ethyl acetamide","","CC(CC1=CC(=CC(=C1)OC)OC)NC(=O)C","RQZIRSLSSFYYPJ-UHFFFAOYSA-N","378442",NA,"PDBC40956","660981","Present"
-"N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(3-hydroxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(3-hydroxyphenyl)propanamide","","C1=CC=C(C=C1)COC2=CC=CC(=C2)CCNC(=O)CCC3=CC(=CC=C3)O","GXQTVKZLCSLRAI-UHFFFAOYSA-N","387944",NA,"PDBC40957","682295","Present"
-"N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(4-hydroxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(4-hydroxyphenyl)propanamide","","C1=CC=C(C=C1)COC2=CC=CC(=C2)CCNC(=O)CCC3=CC=C(C=C3)O","KMMYIDWNZIISAV-UHFFFAOYSA-N","387942",NA,"PDBC40958","682293","Present"
-"N-(2-(3-Bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(2-(3-Bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide","","COC1=C(C(=CC(=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl)Br)O","KYUYQEKFSYROPZ-UHFFFAOYSA-N","373557",NA,"PDBC40959","650010","Present"
-"N-(2-(3-Hydroxy-2-quinoxalinyl)phenyl)benzamide","","","","","","","","","","","","","","","","","","","","VU0507731-1","","C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O","AFUQSDBRKCJRDV-UHFFFAOYSA-N","370373",NA,"PDBC40960","643438","Present"
-"N-(2-(4-(Acetylamino)phenyl)-1-(6,11-dioxo-6,11-dihydro-1H-anthra[1,2-d]imidazol-2-yl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-2-(4-Acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)vinyl]benzamide","","CC(=O)NC1=CC=C(C=C1)C=C(C2=NC3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)NC(=O)C6=CC=CC=C6","OQDKQQIJHWYULB-ONUIUJJFSA-N","135429950",NA,"PDBC40961","624432","Present"
-"N-(2-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-1-(hydrazinocarbonyl)vinyl)-3-phenylacrylamide","","","","","","","","","","","","","","","","","","","","N-(2-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-1-(hydrazinocarbonyl)vinyl)-3-phenylacrylamide","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)NN)NC(=O)C=CC2=CC=CC=C2","DSGUEBHTTQPPEI-MUXFZUAMSA-N","6477345",NA,"PDBC40962","645675","Present"
-"N-(2-(4-(Bis(2-cyanoethyl)amino)phenyl)-1-(((2-chloroanilino)carbonyl)amino)vinyl)-2-chloro-5-(hydroxy(oxido)amino)benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-2-[4-[Bis(2-cyanoethyl)amino]phenyl]-1-[(2-chlorophenyl)carbamoylamino]ethenyl]-2-chloro-5-nitrobenzamide","","C1=CC=C(C(=C1)NC(=O)NC(=CC2=CC=C(C=C2)N(CCC#N)CCC#N)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Cl","VYECUOPKIHRPPK-YZSQISJMSA-N","6144008",NA,"PDBC40963","642580","Present"
-"N-(2-(4-(Bis(2-cyanoethyl)amino)phenyl)-1-(((3-methoxyanilino)carbonyl)amino)vinyl)-2-chloro-5-(hydroxy(oxido)amino)benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-2-[4-[Bis(2-cyanoethyl)amino]phenyl]-1-[(3-methoxyphenyl)carbamoylamino]ethenyl]-2-chloro-5-nitrobenzamide","","COC1=CC=CC(=C1)NC(=O)NC(=CC2=CC=C(C=C2)N(CCC#N)CCC#N)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","OBYSEJBEGKEUFC-WPWMEQJKSA-N","5925710",NA,"PDBC40964","642579","Present"
-"N-(2-(4-(Bis(2-cyanoethyl)amino)phenyl)-1-((4-methoxyanilino)carbonyl)vinyl)-2-chloro-5-(hydroxy(oxido)amino)benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-[4-[Bis(2-cyanoethyl)amino]phenyl]-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide","","COC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)N(CCC#N)CCC#N)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","XXCJOKJQHIQDTH-IMRQLAEWSA-N","6477309",NA,"PDBC40965","642581","Present"
-"N-(2-(4-(Dimethylamino)phenyl)-1-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-(4-(Dimethylamino)phenyl)-1-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)vinyl)benzamide","","CN1C(=O)OC(=N1)C(=CC2=CC=C(C=C2)N(C)C)NC(=O)C3=CC=CC=C3","XKPDMGXQPGXNGX-LGMDPLHJSA-N","6477542",NA,"PDBC40966","686415","Present"
-"N-(2-(4-(Dimethylamino)phenyl)-1-(4-oxo-4H-3,1-benzoxazin-2-yl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-(4-(Dimethylamino)phenyl)-1-(4-oxo-4H-3,1-benzoxazin-2-yl)vinyl)benzamide","","CN(C)C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3C(=O)O2)NC(=O)C4=CC=CC=C4","MWSGCWVVOJTXNO-JWGURIENSA-N","6477536",NA,"PDBC40967","686408","Present"
-"N-(2-(4-(Dimethylamino)phenyl)-1-(9H-purin-8-yl)vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-(4-(Dimethylamino)phenyl)-1-(9H-purin-8-yl)vinyl)benzamide","","CN(C)C1=CC=C(C=C1)C=C(C2=NC3=NC=NC=C3N2)NC(=O)C4=CC=CC=C4","ZXQFQIDJLSHVFM-PDGQHHTCSA-N","5387518",NA,"PDBC40968","624421","Present"
-"N-(2-(4-Acetylpiperazin-1-yl)ethyl)-3-(3-chloro-5-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-(4-acetylpiperazin-1-yl)ethyl)-3-(3-chloro-5-hydrox...","","CC(=O)N1CCN(CC1)CCNC(=O)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)O)C4=CC=NC=C4","WAEUDCCYCKQSJD-UHFFFAOYSA-N","53483672",NA,"PDBC40969","753193","Present"
-"N-(2-(4-Methoxyphenyl)-4-oxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(2-(4-Methoxyphenyl)-4-oxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl)-2-phenylacetamide","","COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)S2)NC(=O)CC4=CC=CC=C4","QAKQVRQOBWSRBV-JLPGSUDCSA-N","5467501",NA,"PDBC40970","653929","Present"
-"N-(2-(4-Morpholinyl)ethyl)-N,N'-diphenyl-4-morpholinecarboximidamide","","","","","","","","","","","","","","","","","","","","N-(2-(4-Morpholinyl)ethyl)-N,N'-diphenyl-4-morpholinecarboximidamide","","C1COCCN1CCN(C2=CC=CC=C2)C(=NC3=CC=CC=C3)N4CCOCC4","ZITQYWFRUCJWCD-UHFFFAOYSA-N","383079",NA,"PDBC40971","671123","Present"
-"N-(2-(5-(Hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)ethyl)-4-(3-(hydroxy(oxido)amino)-1H-1,2,4-triazol-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide","","CC1=NC=C(N1CCNC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])[N+](=O)[O-]","DALHZLDAUWFICN-UHFFFAOYSA-N","372717",NA,"PDBC40972","648277","Present"
-"N-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=C(C=CC(=C3)Br)O","KLEYOPKIZRULRG-UHFFFAOYSA-N","373559",NA,"PDBC40973","650012","Present"
-"N-(2-(6,7-Dimethyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)-2-oxoethyl)-N-(4-ethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-(6,7-Dimethyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)-2-oxoethyl)-N-(4-ethoxyphenyl)acetamide","","CCOC1=CC=C(C=C1)N(CC(=O)N2CC(=O)NC3=C2C=C(C(=C3)C)C)C(=O)C","BHOMENCYGJQALO-UHFFFAOYSA-N","374864",NA,"PDBC40974","653324","Present"
-"N-(2-(6,8-Dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hexopyranosylamine","","","","","","","","","","","","","","","","","","","","NSC665511///NSC665513","","CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3NC4C(C(C(C(O4)CO)O)O)O","JQKUHJFIWBKHQF-UHFFFAOYSA-N","380113",NA,"PDBC40975","665511///665513","Present"
-"N-(2-(6,8-Dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)pentopyranosylamine","","","","","","","","","","","","","","","","","","","","NSC665515///Quinazolin-4(3H)-one, 6,8-dibromo-2-methyl- 3-[2-(D-xylo...","","CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3NC4C(C(C(CO4)O)O)O","GHFJZNGBIKFXKG-UHFFFAOYSA-N","380115",NA,"PDBC40976","665515///665517","Present"
-"N-(2-(9H-Fluoren-9-ylidenemethyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-(9H-Fluoren-9-ylidenemethyl)phenyl)acetamide","","CC(=O)NC1=CC=CC=C1C=C2C3=CC=CC=C3C4=CC=CC=C42","APEYSGYXVOGZJC-UHFFFAOYSA-N","255024",NA,"PDBC40977","80177","Present"
-"N-(2-(Acetoacetylanilino)ethyl)-3-oxo-N-phenylbutanamide","","","","","","","","","","","","","","","","","","","","N-(2-(Acetoacetylanilino)ethyl)-3-oxo-N-phenylbutanamide","","CC(=O)CC(=O)N(CCN(C1=CC=CC=C1)C(=O)CC(=O)C)C2=CC=CC=C2","UTRUAIUOIAUUBA-UHFFFAOYSA-N","367465",NA,"PDBC40978","637194","Present"
-"N-(2-(Acetylamino)-3-benzyl-5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-(Acetylamino)-3-benzyl-5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)acetamide","","CC1C2CC(C1(C)C)C(C2(NC(=O)C)NC(=O)C)CC3=CC=CC=C3","MMQFPHQPQFVUIJ-UHFFFAOYSA-N","376016",NA,"PDBC40979","656396","Present"
-"N-(2-(Acetylamino)-8-(hydroxymethyl)-9H-purin-6-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-(Acetylamino)-8-(hydroxymethyl)-9H-purin-6-yl)acetamide","","CC(=O)NC1=NC(=NC2=C1NC(=N2)CO)NC(=O)C","OKOXHVQQAPKSNO-UHFFFAOYSA-N","3246458",NA,"PDBC40980","132498","Present"
-"N-(2-(Aminosulfonyl)-4,5-dibromophenyl)-3,5-di-tert-butyl-4-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","N-(2-(Aminosulfonyl)-4,5-dibromophenyl)-3,5-di-tert-butyl-4-hydroxybenzamide","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=CC(=C(C=C2S(=O)(=O)N)Br)Br","DKQCXNBOMPDQIK-UHFFFAOYSA-N","384360",NA,"PDBC40981","674068","Present"
-"N-(2-(Benzoylamino)-3-phenylacryloyl)alanine","","","","","","","","","","","","","","","","","","","","N-(2-(Benzoylamino)-3-phenylacryloyl)alanine","","CC(C(=O)O)NC(=O)C(=CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2","YAKPNJNXBBFKBV-VBKFSLOCSA-N","5350499",NA,"PDBC40982","690957","Present"
-"N-(2-(Benzoylamino)-3-phenylacryloyl)glutamic acid","","","","","","","","","","","","","","","","","","","","N-(2-(Benzoylamino)-3-phenylacryloyl)glutamic acid","","C1=CC=C(C=C1)C=C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2=CC=CC=C2","DBEOVTZYUBKJJC-LGMDPLHJSA-N","5338234",NA,"PDBC40983","686421","Present"
-"N-(2-(Benzoylamino)-3-phenylacryloyl)tryptophan","","","","","","","","","","","","","","","","","","","","BIM-0015605.P001","","C1=CC=C(C=C1)C=C(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4=CC=CC=C4","DTCGICIUPABHAN-HAHDFKILSA-N","5338236",NA,"PDBC40984","690955","Present"
-"N-(2-(Benzyloxy)-5-chloro-3-methoxyphenyl)-N-hydroxyacetamide","","","","","","","","","","","","","","","","","","","","N-(2-(Benzyloxy)-5-chloro-3-methoxyphenyl)-N-hydroxyacetamide","","CC(=O)N(C1=C(C(=CC(=C1)Cl)OC)OCC2=CC=CC=C2)O","WEEUETMIMZXYHL-UHFFFAOYSA-N","374698",NA,"PDBC40985","652867","Present"
-"N-(2-(Bis(2-(((3-hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyridinyl)carbonyl)amino)ethyl)amino)ethyl)-1-hydroxy-6-oxo-1,6-dihydro-2-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","3-Hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide","","CN1C=CC(=C(C1=O)O)C(=O)NCCN(CCNC(=O)C2=C(C(=O)N(C=C2)C)O)CCNC(=O)C3=CC=CC(=O)N3O","NLYFUWOQHIXLRH-UHFFFAOYSA-N","391973",NA,"PDBC40986","691695","Present"
-"N-(2-(Bis(2-(((3-hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyridinyl)carbonyl)amino)ethyl)amino)ethyl)-3-hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[Bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide","","CN1C=CC(=C(C1=O)O)C(=O)NCCN(CCNC(=O)C2=C(C(=O)N(C=C2)C)O)CCNC(=O)C3=C(C(=O)N(C=C3)C)O","LXPKFUINXTWKHP-UHFFFAOYSA-N","391971",NA,"PDBC40987","691693","Present"
-"N-(2-(Dibenzylamino)-1-methyl-2-oxoethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-(Dibenzylamino)-1-methyl-2-oxoethyl)benzamide","","CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3","YJBOWEGUAVNHBC-UHFFFAOYSA-N","362240",NA,"PDBC40988","625844","Present"
-"N-(2-(Diethylamino)ethyl)-11-oxo-11H-imidazo(1,2-a)thiochromeno(2,3-e)pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","11H-Benzothiopyrano[2',3':5,6]pyrido[1,2-a]imidazole- 2-...","","CCN(CC)CCNC(=O)C1=CN2C(=N1)C=CC3=C2C(=O)C4=CC=CC=C4S3","NRWZCQQXDMICFD-UHFFFAOYSA-N","385057",NA,"PDBC40989","675986","Present"
-"N-(2-(Diethylamino)ethyl)-2-methoxy-4-nitrobenzamide monohydrochloride","","","","","","","","","","","","","","","","","","","","N-(2-(Diethylamino)ethyl)-2-methoxy-4-nitrobenzamide monohydrochloride","","CCN(CC)CCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OC.[Cl-]","JNMIIFCQCUVHIE-UHFFFAOYSA-M","3086205",NA,"PDBC40990","16657","Present"
-"N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-1-piperidinecarboximidamide","","","","","","","","","","","","","","","","","","","","N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-1-piperidinecarboximidamide","","CCN(CC)CCN(C1=CC=CC=C1)C(=NC2=CC=CC=C2)N3CCCCC3","LKPUWIZUBWPXIH-UHFFFAOYSA-N","383078",NA,"PDBC40991","671122","Present"
-"N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-4-morpholinecarboximidamide","","","","","","","","","","","","","","","","","","","","N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-4-morpholinecarboximidamide","","CCN(CC)CCN(C1=CC=CC=C1)C(=NC2=CC=CC=C2)N3CCOCC3","WYQMAWCVLYTLKL-UHFFFAOYSA-N","383080",NA,"PDBC40992","671124","Present"
-"N-(2-(Dimethylamino)ethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","12H-Benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide, N-[2...","","CN(C)CCNC(=O)C1=CC=CN2C1=NC3=CC4=CC=CC=C4C=C3C2=O","BXYDVWIAGDJBEC-UHFFFAOYSA-N","3508054",NA,"PDBC40993","751342","Present"
-"N-(2-(Dimethylamino)ethyl)-N,N'-diphenyl-1-pyrrolidinecarboximidamide","","","","","","","","","","","","","","","","","","","","N-(2-(Dimethylamino)ethyl)-N,N'-diphenyl-1-pyrrolidinecarboximidamide","","CN(C)CCN(C1=CC=CC=C1)C(=NC2=CC=CC=C2)N3CCCC3","QHFSQIRRJRNTOT-UHFFFAOYSA-N","383075",NA,"PDBC40994","671119","Present"
-"N-(2-(Ethyl(3-phenyl-5-isoxazolyl)amino)phenyl)-N'-(3-(ethyl(3-phenyl-5-isoxazolyl)amino)phenyl)thiourea","","","","","","","","","","","","","","","","","","","","1-[2-[Ethyl-(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]-3-[3-[ethyl-(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]thiourea","","CCN(C1=CC=CC(=C1)NC(=S)NC2=CC=CC=C2N(CC)C3=CC(=NO3)C4=CC=CC=C4)C5=CC(=NO5)C6=CC=CC=C6","SKVFPOKNSZXLFW-UHFFFAOYSA-N","3005110",NA,"PDBC40995","672307","Present"
-"N-(2-(Hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","4-Naphthalen-2-yl-N-[2-nitro-4-(trifluoromethyl)phenyl]-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]","JVKNCBVJIVEUBW-UHFFFAOYSA-N","369461",NA,"PDBC40996","641231","Present"
-"N-(2-(Hydroxy(oxido)amino)-4-methoxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-phenylbutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxy-2-nitro-phenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-phenyl-butanamide","","COC1=CC(=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4)[N+](=O)[O-]","CWRYDEDGPFDHLH-UHFFFAOYSA-N","370970",NA,"PDBC40997","644775","Present"
-"N-(2-(Hydroxy(oxido)amino)-4-methoxyphenyl)-2-(4-oxo-2-(2-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxy-2-nitrophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide","","CC1=CC=CC=C1N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]","PFLPSPSROBUMSR-UHFFFAOYSA-N","135429944",NA,"PDBC40998","623033","Present"
-"N-(2-(Hydroxy(oxido)amino)-4-methylphenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-(Hydroxy(oxido)amino)-4-methylphenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide","","CC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=O)NC(=S)N2)[N+](=O)[O-]","PXMHQJUCBBESNA-UHFFFAOYSA-N","3004334",NA,"PDBC40999","646361","Present"
-"N-(2-(Hydroxy(oxido)amino)phenyl)-3-(2-mercapto-6-phenyl-4-pyrimidinyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-(Hydroxy(oxido)amino)phenyl)-3-(2-mercapto-6-phenyl-4-pyrimidinyl)propanamide","","C1=CC=C(C=C1)C2=NC(=S)NC(=C2)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]","ZPPCGHWBCNHAOO-UHFFFAOYSA-N","3004123",NA,"PDBC41000","630362","Present"
-"N-(2-(Hydroxy(oxido)amino)phenyl)-3-methyl-2-(((4-methylphenyl)sulfonyl)amino)-1-oxo-1,2-dihydro-7-isoquinolinesulfonamide","","","","","","","","","","","","","","","","","","","","3-Methyl-N-(2-nitrophenyl)-1-oxo-2-(p-tolylsulfonylamino)isoquinoline-7-sulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4[N+](=O)[O-])C","VBOFASVFTIXMLJ-UHFFFAOYSA-N","390426",NA,"PDBC41001","687780","Present"
-"N-(2-(Methyl(2-(((2-phenyl-4-quinolinyl)carbonyl)amino)ethyl)amino)ethyl)-2-phenyl-4-quinolinecarboxamide","","","","","","","","","","","","","","","","","","","","Quinoline-4-carboxamide, N,N'-[(methylimino) bis(2,1-eth...","","CN(CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)CCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","LTQAJWGSUGQUPR-UHFFFAOYSA-N","384377",NA,"PDBC41002","674085","Present"
-"N-(2-(N-(2-Hydroxyethyl)carbamoyl)-4-iodophenyl)-2-thienylfo rmamide","","","","","","","","","","","","","","","","","","","","N-(2-(N-(2-Hydroxyethyl)carbamoyl)-4-iodophenyl)-2-thien...","","C1=CSC(=C1)C(=O)NC2=C(C=C(C=C2)I)C(=O)NCCO","KJGRHYVQOMGVCK-UHFFFAOYSA-N","404730",NA,"PDBC41003","721208","Present"
-"N-(2-(S)-Methyl-3(R)-hydroxy-4-methylpentanoyl)-4(R)-methoxy carbonyl-1,3-oxazolidine-2-thione","","","","","","","","","","","","","","","","","","","","N-(2-(S)-Methyl-3(R)-hydroxy-4-methylpentanoyl)-4(R)-met...","","CC(C)C(C(C)C(=O)N1C(COC1=S)C(=O)OC)O","OMDGQNRQLWWZAX-DJLDLDEBSA-N","6711600",NA,"PDBC41004","632224","Present"
-"N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-1,3-thiazol-2-amine","","CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=NC=CS3","NAOPKPXOCNQGOB-UHFFFAOYSA-N","377004",NA,"PDBC41005","658222","Present"
-"N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-2-methyl-5-quinolinamine","","","","","","","","","","","","","","","","","","","","N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-2-methyl-5-quinolinamine","","CC1=NC2=C(C=C1)C(=CC=C2)NC3CCN(N3C(=O)C)C4=CC=CC=C4","PWRMJQKBAQTMLS-UHFFFAOYSA-N","377017",NA,"PDBC41006","658235","Present"
-"N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-2-pyridinamine","","","","","","","","","","","","","","","","","","","","N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-2-pyridinamine","","CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=CC=CC=N3","BBKDCLRCANBYSO-UHFFFAOYSA-N","377003",NA,"PDBC41007","658221","Present"
-"N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-quinolinamine","","","","","","","","","","","","","","","","","","","","N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-quinolinamine","","CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=CC4=CC=CC=C4N=C3","LXANJGTUJXRVRZ-UHFFFAOYSA-N","377018",NA,"PDBC41008","658236","Present"
-"N-(2-Acetylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Acetylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide","","CC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5","JNGFOQBQKYDLNZ-UHFFFAOYSA-N","369822",NA,"PDBC41009","642017","Present"
-"N-(2-Acetylphenyl)-3-(((2-acetylphenyl)sulfonyl)amino)-2-methyl-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Acetylphenyl)-3-[(2-acetylphenyl)sulfonylamino]-2-methyl-4-oxoquinazoline-6-sulfonamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)C)C(=O)N1NS(=O)(=O)C4=CC=CC=C4C(=O)C","UDRKDFAGYMXHFV-UHFFFAOYSA-N","390428",NA,"PDBC41010","687782","Present"
-"N-(2-Acetylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Acetylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","CC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","AYQDPRIYZRUEIO-UHFFFAOYSA-N","369467",NA,"PDBC41011","641237","Present"
-"N-(2-Adamantyl)-2-((aminocarbothioyl)hydrazono)-4-oxodecanamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(2-adamantyl)-2-(carbamothioylhydrazono)-4-oxo-decanamide","","CCCCCCC(=O)CC(=NNC(=S)N)C(=O)NC1C2CC3CC(C2)CC1C3","JLFKPJYXSJKGCP-MOHJPFBDSA-N","5913856",NA,"PDBC41012","632018","Present"
-"N-(2-Adamantyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Adamantyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","C1C2CC3CC1CC(C2)C3NC(=O)C(=O)C4C(=NN(C4=O)C5=CC=CC=C5)N","DRJICFHBTSTXRC-UHFFFAOYSA-N","364927",NA,"PDBC41013","631813","Present"
-"N-(2-Adamantyl)-2-cyanoacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Adamantyl)-2-cyanoacetamide","","C1C2CC3CC1CC(C2)C3NC(=O)CC#N","FKXNHOSUDRFAFL-UHFFFAOYSA-N","367267",NA,"PDBC41014","636816","Present"
-"N-(2-Adamantyl)-2-mercapto-6-(2-phenylvinyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Adamantyl)-2-mercapto-6-(2-phenylvinyl)-4-pyrimidinecarboxamide","","C1C2CC3CC1CC(C2)C3NC(=O)C4=NC(=S)NC(=C4)C=CC5=CC=CC=C5","NMSGLEGFZYMZBB-VOTSOKGWSA-N","5387552",NA,"PDBC41015","624472","Present"
-"N-(2-Adamantyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Adamantyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NC3C4CC5CC(C4)CC3C5","ITGBKVMWMJHAOX-UHFFFAOYSA-N","364963",NA,"PDBC41016","631849","Present"
-"N-(2-Adamantyl)-3-isobutyryl-2-oxoheptanamide","","","","","","","","","","","","","","","","","","","","N-(2-Adamantyl)-3-isobutyryl-2-oxoheptanamide","","CCCCC(C(=O)C(C)C)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3","XPCHNDLQEKKZFY-UHFFFAOYSA-N","364272",NA,"PDBC41017","630289","Present"
-"N-(2-Adamantyl)-4-(1-naphthyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Adamantyl)-4-(1-naphthyl)-2,4-dioxobutanamide","","C1C2CC3CC1CC(C2)C3NC(=O)C(=O)CC(=O)C4=CC=CC5=CC=CC=C54","CBFVPSOIFIOFDS-UHFFFAOYSA-N","360360",NA,"PDBC41018","622418","Present"
-"N-(2-Adamantyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Adamantyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","CC1=C(SC2=CC=CC=C2N1)C(=O)CC(=O)C(=O)NC3C4CC5CC(C4)CC3C5","IAYLXAZUBSDEJC-UHFFFAOYSA-N","366523",NA,"PDBC41019","635132","Present"
-"N-(2-Adamantyl)-4-hydrazino-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Adamantyl)-4-hydrazino-4-oxobutanamide","","C1C2CC3CC1CC(C2)C3NC(=O)CCC(=O)NN","NRGLGDVZXVPMOJ-UHFFFAOYSA-N","362237",NA,"PDBC41020","625841","Present"
-"N-(2-Adamantyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Adamantyl)-4-pyrimidinecarboxamide","","C1C2CC3CC1CC(C2)C3NC(=O)C4=NC=NC=C4","TYLGFTQXOGMHCT-UHFFFAOYSA-N","361453",NA,"PDBC41021","624475","Present"
-"N-(2-Adamantyl)-6-amino-2-mercapto-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Adamantyl)-6-amino-2-mercapto-4-pyrimidinecarboxamide","","C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=NC(=S)N4)N","MXIQQRILRIJOAT-UHFFFAOYSA-N","3004054",NA,"PDBC41022","624469","Present"
-"N-(2-Amino-3-(5-hydroxy-2-pyridinyl)propanoyl)alanine","","","","","","","","","","","","","","","","","","","","N-(2-Amino-3-(5-hydroxy-2-pyridinyl)propanoyl)alanine","","CC(C(=O)O)NC(=O)C(CC1=NC=C(C=C1)O)N","JMPPBIHLLDHZDB-UHFFFAOYSA-N","385344",NA,"PDBC41023","676462","Present"
-"N-(2-Amino-phenyl)-4-(1-{[benzyl(methyl)amino]methyl}vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-aminophenyl)-4-[1-(methylbenzylamine-4-ylmethyl)vinyl]b enzamide","","CN(CC1=CC=CC=C1)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N","KGKIJZLKEXXQMR-UHFFFAOYSA-N","11588795",NA,"PDBC41024","729998","Present"
-"N-(2-Amino-phenyl)-4-[1-(6-oxo-6H-phenanthridin-5-ylmethyl)-vinyl]-benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Amino-phenyl)-4-[1-(6-oxo-6H-phenanthridin-5-ylmethyl)-vinyl]-benzamide","","C=C(CN1C2=CC=CC=C2C3=CC=CC=C3C1=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","SNODZTYLEVBTTQ-UHFFFAOYSA-N","11719256",NA,"PDBC41025","735408","Present"
-"N-(2-Amino-phenyl)-4-{1-[4-(2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Amino-phenyl)-4-{1-[4-(2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide","","C=C(CN1CCN(CC1)C2=CC=CC=C2F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","KRYHMGNCIHZKPA-UHFFFAOYSA-N","11640567",NA,"PDBC41026","735406","Present"
-"N-(2-Amino-phenyl)-4-{1-[4-(2-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Amino-phenyl)-4-{1-[4-(2-trifluoromethylphenyl)-pip...","","C=C(CN1CCN(CC1)C2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","DUMBIPFGGCKNNC-UHFFFAOYSA-N","45027918",NA,"PDBC41027","740121","Present"
-"N-(2-Amino-phenyl)-4-{1-[4-(3,5-bis-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Amino-phenyl)-4-{1-[4-(3,5-bis-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide","","C=C(CN1CCN(CC1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","VVRQPEBOABQSGA-UHFFFAOYSA-N","11534053",NA,"PDBC41028","735403","Present"
-"N-(2-Amino-phenyl)-4-{1-[4-(3-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Amino-phenyl)-4-{1-[4-(3-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide","","C=C(CN1CCN(CC1)C2=CC(=CC=C2)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","RHPJERGEAGJTDM-UHFFFAOYSA-N","11704671",NA,"PDBC41029","735407","Present"
-"N-(2-Amino-phenyl)-4-{1-[4-(4-chloro-2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Amino-phenyl)-4-{1-[4-(4-chloro-2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide","","C=C(CN1CCN(CC1)C2=C(C=C(C=C2)Cl)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","ATBQIQJSNGYLAO-UHFFFAOYSA-N","11511007",NA,"PDBC41030","735404","Present"
-"N-(2-Amino-phenyl)-4-{1-[4-(4-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Amino-phenyl)-4-{1-[4-(4-trifluoromethylphenyl)-pip...","","C=C(CN1CCN(CC1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","YAHMKOUMKSVLOM-UHFFFAOYSA-N","45027919",NA,"PDBC41031","740122","Present"
-"N-(2-Aminoethyl)-3-[(3,5-ditert-butylbenzoyl)amino]naphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-aminoethyl)-3-(3,5-di-tert-butylbenzamido)-2-naphth...","","CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NCCN)C(C)(C)C","SNTBMUDEPYEWBA-UHFFFAOYSA-N","134151794",NA,"PDBC41032","783191","Present"
-"N-(2-Aminoethyl)-4-methyl-N-(8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Aminoethyl)-4-methyl-N-(8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(CCN)C2=CC3=C4C5C6=C(C=CC=C6OC4=C2)OC7=C5C(=CC=C7)O3","BUGVTHSRUAINBM-UHFFFAOYSA-N","393368",NA,"PDBC41033","695176","Present"
-"N-(2-Aminoethyl)-N',N''-diphenylguanidine","","","","","","","","","","","","","","","","","","","","N-(2-Aminoethyl)-N',N''-diphenylguanidine","","C1=CC=C(C=C1)NC(=NCCN)NC2=CC=CC=C2","SIRSVYUHMGUHPK-UHFFFAOYSA-N","383081",NA,"PDBC41034","671125","Present"
-"N-(2-Aminoethyl)acridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(2-Aminoethyl)acridine-4-carboxamide;hydrochloride","","C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCN.Cl","UHKZPVDBOHAPNJ-UHFFFAOYSA-N","358141",NA,"PDBC41035","617971","Present"
-"N-(2-Aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]propanamide","","C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)CCC(=O)NC4=CC=CC=C4N","HHPCBQRXTLXFJC-UHFFFAOYSA-N","11675955",NA,"PDBC41036","733253","Present"
-"N-(2-Aminophenyl)-4-(1-{[4-(2-methoxyphenyl)piperazin-1-yl]m ethyl}vinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-aminophenyl)-4-(1-{[4-(2-methoxyphenyl)piperazin-1-yl]m ethyl}vinyl)benzamide","","COC1=CC=CC=C1N2CCN(CC2)CC(=C)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","AEBYMKMBNUABEF-UHFFFAOYSA-N","11719179",NA,"PDBC41037","730004","Present"
-"N-(2-Aminophenyl)-4-(3-benzamidoprop-1-en-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Aminophenyl)-4-(3-benzamidoprop-1-en-2-yl)benzamide","","C=C(CNC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N","NHODPVPENYYXMI-UHFFFAOYSA-N","11494465",NA,"PDBC41038","733255","Present"
-"N-(2-Aminophenyl)-4-(3-phenothiazin-10-ylprop-1-en-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Aminophenyl)-4-(3-phenothiazin-10-ylprop-1-en-2-yl)benzamide","","C=C(CN1C2=CC=CC=C2SC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","WBUBSTOUMGJZTF-UHFFFAOYSA-N","24205528",NA,"PDBC41039","736101","Present"
-"N-(2-Aminophenyl)-4-[1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-ylmethyl)vinyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-aminophenyl)-4-[1-(1,3,4,5-tetrahydro-2H-indeno[1,2-c] pyridin-2-ylmethyl)vinyl]benzamide","","C=C(CN1CCC2=C(C1)NC3=CC=CC=C23)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","YSQCHDWGPQOLNP-UHFFFAOYSA-N","11589884",NA,"PDBC41040","730001","Present"
-"N-(2-Aminophenyl)-4-[1-(3,4-dihydroisoquinolin-2(1H)-ylmethy l)vinyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-aminophenyl)-4-[1-(3,4-dihydroisoquinolin-2(1H)-ylmethy l)vinyl]benzamide","","C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","PYYDVQPOSYCSSO-UHFFFAOYSA-N","11682437",NA,"PDBC41041","730000","Present"
-"N-(2-Aminophenyl)-4-[1-({4-[3-(trifluoromethyl)phenyl]pipera zin-1-yl}methyl)viny l]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-aminophenyl)-4-[1-({4-[3-(trifluoromethyl)phenyl]pipera zin-1-yl}methyl)viny l]benzamide","","C=C(CN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","YETXDBRNKDIOQO-UHFFFAOYSA-N","11605406",NA,"PDBC41042","730003","Present"
-"N-(2-Aminophenyl)-4-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)prop-1-en-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Aminophenyl)-4-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)prop-1-en-2-yl]benzamide","","CN1CC(=O)N(C1=O)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N","IANVHDRKFUOXKU-UHFFFAOYSA-N","11682081",NA,"PDBC41043","736099","Present"
-"N-(2-Aminophenyl)-4-[3-[(4-phenylphenyl)carbamoylamino]prop-1-en-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Aminophenyl)-4-[3-[(4-phenylphenyl)carbamoylamino]prop-1-en-2-yl]benzamide","","C=C(CNC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","JIVKJDJHWCNIOS-UHFFFAOYSA-N","24205284",NA,"PDBC41044","734947","Present"
-"N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide","","C=C(CN1CCN(CC1)C2=CC=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","NWGZGNSMOKNZNW-UHFFFAOYSA-N","45028413",NA,"PDBC41045","742611","Present"
-"N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide;hydrochloride","","C=C(CN1CCN(CC1)C2=CC=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N.Cl","YKGDUTPHXZCJDU-UHFFFAOYSA-N","45028828",NA,"PDBC41046","744536","Present"
-"N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzenecarbothioamide","","","","","","","","","","","","","","","","","","","","N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzenecarbothioamide","","C=C(CN1CCN(CC1)C2=CC=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C(=S)NC4=CC=CC=C4N","ADPRHHKGPIPUJB-UHFFFAOYSA-N","45028414",NA,"PDBC41047","742612","Present"
-"N-(2-Aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide","","","","","","","","","","","","","","","","","","","","N-(2-aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide","","C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)CCCC(=O)NC4=CC=CC=C4N","NHPGSZALINOFGE-UHFFFAOYSA-N","24205285",NA,"PDBC41048","734948","Present"
-"N-(2-Aminophenyl)-4-{1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]vinyl}benzamide","","","","","","","","","","","","","","","","","","","","N-(2-aminophenyl)-4-{1-[(4-pyridin-2-ylpiperazin-1-yl)methyl ]vinyl}benzamide","","C=C(CN1CCN(CC1)C2=CC=CC=N2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","XHKXHRHDEKHOBA-UHFFFAOYSA-N","11711325",NA,"PDBC41049","729999","Present"
-"N-(2-Aminophenyl)-4-{1-[(benzylamino)methyl]vinyl}benzamide","","","","","","","","","","","","","","","","","","","","N-(2-aminophenyl)-4-{1-[(benzylamino)methyl]vinyl}benzamide","","C=C(CNCC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N","YTUXOVDFKUAGIW-UHFFFAOYSA-N","11588476",NA,"PDBC41050","730002","Present"
-"N-(2-Anthryl)-2-hydroxy-1,5,7-trimethyl-4-oxo-3-azabicyclo[3.3.1]nonane-7-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Anthryl)-2-hydroxy-1,5,7-trimethyl-4-oxo-3-azabicyclo[3.3.1]nonane-7-carboxamide","","CC12CC(CC(C1)(C)C(=O)NC3=CC4=CC5=CC=CC=C5C=C4C=C3)(C(=O)NC2O)C","UCAIIDSEJYRYBB-UHFFFAOYSA-N","361786",NA,"PDBC41051","625053","Present"
-"N-(2-Anthryl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide","","","","","","","","","","","","","","","","","","","","N-Anthracen-2-yl-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","C1=CC=C2C=C3C=C(C=CC3=CC2=C1)NC(=O)C4=CC5=C(C=C4Cl)SC6=NC=CN6S5(=O)=O","PZVCFNYDKQQTKZ-UHFFFAOYSA-N","403255",NA,"PDBC41052","717956","Present"
-"N-(2-Benzylsulfanylethyl)-N',N'-bis[2-(2-benzylsulfanylethylamino)ethyl]ethane-1,2-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(2-Benzylsulfanylethyl)-N',N'-bis[2-(2-benzylsulfanylethylamino)ethyl]ethane-1,2-diamine;hydrochloride","","C1=CC=C(C=C1)CSCCNCCN(CCNCCSCC2=CC=CC=C2)CCNCCSCC3=CC=CC=C3.Cl","QXAOVRFEEYDQBA-UHFFFAOYSA-N","24205027",NA,"PDBC41053","734002","Present"
-"N-(2-Bromo-4,5-dimethoxybenzylidene)-6,7-dimethoxy-1-naphthalenamine","","","","","","","","","","","","","","","","","","","","N-(2-Bromo-4,5-dimethoxybenzylidene)-6,7-dimethoxy-1-naphthalenamine","","COC1=C(C=C2C(=C1)C=CC=C2N=CC3=CC(=C(C=C3Br)OC)OC)OC","RIPSKRZMPZREBA-UHFFFAOYSA-N","371233",NA,"PDBC41054","645292","Present"
-"N-(2-Bromophenyl)-2,2-dimethylpropanamide","","","","","","","","","","","","","","","","","","","","Z27784720","","CC(C)(C)C(=O)NC1=CC=CC=C1Br","KVXJJCVTWLZHOX-UHFFFAOYSA-N","357675",NA,"PDBC41055","617192","Present"
-"N-(2-Bromophenyl)-4-tert-butyl-2-methylsulfanyl-N-(2-trimethylsilylethoxymethyl)cyclohexene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Bromophenyl)-4-tert-butyl-2-methylsulfanyl-N-(2-trimethylsilylethoxymethyl)cyclohexene-1-carboxamide","","CC(C)(C)C1CCC(=C(C1)SC)C(=O)N(COCC[Si](C)(C)C)C2=CC=CC=C2Br","YZVVWJYTLUMPIL-UHFFFAOYSA-N","394583",NA,"PDBC41056","698163","Present"
-"N-(2-Bromopropanoyl)serine","","","","","","","","","","","","","","","","","","","","NSC163122","","CC(C(=O)NC(CO)C(=O)O)Br","FZCUZRSQHFPZKG-UHFFFAOYSA-N","259562",NA,"PDBC41057","163122","Present"
-"N-(2-Chloro-3-methylphenyl)-2-cyanoacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Chloro-3-methylphenyl)-2-cyanoacetamide","","CC1=C(C(=CC=C1)NC(=O)CC#N)Cl","AUDYGHUIHVICCD-UHFFFAOYSA-N","358524",NA,"PDBC41058","618532","Present"
-"N-(2-Chloro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(2-Chloro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine","","CC1=C(C(=CC=C1)NC2=NCCO2)Cl","AOTHJODWXAVQHV-UHFFFAOYSA-N","379528",NA,"PDBC41059","664191","Present"
-"N-(2-Chloro-3-methylphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chloro-3-methylphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","CC1=C(C(=CC=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F)Cl","BGJBHTHGPDOCEB-UHFFFAOYSA-N","369250",NA,"PDBC41060","640981","Present"
-"N-(2-Chloro-4-(3-chloro-4-(((2,5-dioxo-4-imidazolidinyl)(oxo)acetyl)amino)-5-ethylbenzyl)-6-ethylphenyl)-2-(2,5-dioxo-4-imidazolidinyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-[2-Chloro-4-[[3-chloro-4-[[2-(2,5-dioxoimidazolidin-4-yl)-2-oxoacetyl]amino]-5-ethylphenyl]methyl]-6-ethylphenyl]-2-(2,5-dioxoimidazolidin-4-yl)-2-oxoacetamide","","CCC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)Cl)NC(=O)C(=O)C3C(=O)NC(=O)N3)CC)Cl)NC(=O)C(=O)C4C(=O)NC(=O)N4","WRTFESHREWUTSL-UHFFFAOYSA-N","371969",NA,"PDBC41061","646785","Present"
-"N-(2-Chloro-5-(trifluoromethyl)phenyl)-3-((4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-4-(2-furyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-4-(furan-2-yl)-2,4-dioxobutanamide","","CC1(CC(=O)C(C(=O)C1)CC(C(=O)C2=CC=CO2)C(=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C","PAIPWKGPSVKMPM-UHFFFAOYSA-N","373368",NA,"PDBC41062","649583","Present"
-"N-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-[2-Chloro-5-(trifluoromethyl)phenyl]-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl","OEYWCRGGCROSDB-UHFFFAOYSA-N","369469",NA,"PDBC41063","641239","Present"
-"N-(2-Chloro-5-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chloro-5-methylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide","","CC1=CC(=C(C=C1)Cl)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=NC=C4","UJIZTXYLKSOPLS-UHFFFAOYSA-N","371548",NA,"PDBC41064","645877","Present"
-"N-(2-Chloro-5-nitrobenzyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine","","","","","","","","","","","","","","","","","","","","N-(2-chloro-5-nitrobenzyl)-9-(tetrahydro-2H-pyran-2-yl)-...","","C1CCOC(C1)N2C=NC3=C(N=CN=C32)NCC4=C(C=CC(=C4)[N+](=O)[O-])Cl","HWSODBLPHNBIID-UHFFFAOYSA-N","286564",NA,"PDBC41065","145031","Present"
-"N-(2-Chloro-5-nitrobenzylidene)adamantan-1-amine","","","","","","","","","","","","","","","","","","","","N-(2-Chloro-5-nitrobenzylidene)adamantan-1-amine","","C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])Cl","VYVZNHKDOVCPCD-UHFFFAOYSA-N","378760",NA,"PDBC41066","661916","Present"
-"N-(2-Chloro-6,7-dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Chloro-6,7-dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide","","COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NS(=O)(=O)C3=CC4=CC=CC=C4S3)OC","UZJPZXJCKRHQHE-UHFFFAOYSA-N","396722",NA,"PDBC41067","703331","Present"
-"N-(2-Chloro-6-methylphenyl)-2-hydroxy-3-nitrobenzamide","","","","","","","","","","","","","","","","","","","","6'-Chloro-3-nitro-o-salicylotoluidide","","CC1=C(C(=CC=C1)Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","YSONDVUDUHZIBU-UHFFFAOYSA-N","255921",NA,"PDBC41068","82024","Present"
-"N-(2-Chlorobenzoyl)-3-hydrazino-N-(4-methylphenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorobenzoyl)-3-hydrazino-N-(4-methylphenyl)-3-oxopropanamide","","CC1=CC=C(C=C1)N(C(=O)CC(=O)NN)C(=O)C2=CC=CC=C2Cl","WSMFPBFKZPOQBI-UHFFFAOYSA-N","370455",NA,"PDBC41069","643586","Present"
-"N-(2-Chlorobenzylidene)-6,7-dimethoxy-1-naphthalenamine","","","","","","","","","","","","","","","","","","","","N-(2-Chlorobenzylidene)-6,7-dimethoxy-1-naphthalenamine","","COC1=C(C=C2C(=C1)C=CC=C2N=CC3=CC=CC=C3Cl)OC","GPUSOEYWAIAOJY-UHFFFAOYSA-N","371247",NA,"PDBC41070","645304","Present"
-"N-(2-Chloroethyl)-N',N'-bis(methylsulfonyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","1-phenylsulfonyl-2,2-methylsufonyl-1-(2-chloroethyl)hydr...","","CS(=O)(=O)N(N(CCCl)S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C","DMBGYTIUBONXGR-UHFFFAOYSA-N","370861",NA,"PDBC41071","644584","Present"
-"N-(2-Chloroethyl)-N'-(2-methyltriazolo[4,5-f]quinolin-9-yl)ethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N-(2-Chloroethyl)-N'-(2-methyltriazolo[4,5-f]quinolin-9-yl)ethane-1,2-diamine","","CN1N=C2C=CC3=NC=CC(=C3C2=N1)NCCNCCCl","FBWBJXMBMWSEFU-UHFFFAOYSA-N","374504",NA,"PDBC41072","652255","Present"
-"N-(2-Chloroethyl)-N'-(3-pyridinyl)urea","","","","","","","","","","","","","","","","","","","","J-502985","","C1=CC(=CN=C1)NC(=O)NCCCl","GHKZUTAGOUFZGD-UHFFFAOYSA-N","256330",NA,"PDBC41073","83110","Present"
-"N-(2-Chloroethyl)-N'-(5-imino-2,5-dihydro-1H-tetraazol-1-yl)urea","","","","","","","","","","","","","","","","","","","","N-(2-Chloroethyl)-N'-(5-imino-2,5-dihydro-1H-tetraazol-1-yl)urea","","C(CCl)NC(=O)NN1C(=NN=N1)N","QRYOFHJRKDJEON-UHFFFAOYSA-N","377673",NA,"PDBC41074","659253","Present"
-"N-(2-Chloroethyl)-N'-hydroxyurea","","","","","","","","","","","","","","","","","","","","1-(2-Chloroethyl)-3-hydroxyurea","","C(CCl)NC(=O)NO","XKXDQMSUTPUOON-UHFFFAOYSA-N","388217",NA,"PDBC41075","682811","Present"
-"N-(2-Chloroethyl)-N-methyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(2-Chloroethyl)-N-methyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;hydrochloride","","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N(C)CCCl.Cl","KKZSKPJAIAMACV-UHFFFAOYSA-N","384807",NA,"PDBC41076","675256","Present"
-"N-(2-Chloroethyl)-N-nitroso-N'-(3-pyridinylmethyl)urea N-oxide","","","","","","","","","","","","","","","","","","","","Urea, N-(2-chloroethyl)-N-nitroso-N'-(3-pyridinylmethyl)...","","C1=CC(=C[N+](=C1)[O-])CNC(=O)N(CCCl)N=O","AHRARYLCXQHBBJ-UHFFFAOYSA-N","125819",NA,"PDBC41077","307454","Present"
-"N-(2-Chlorophenyl)-2-((triisopropylsilyl)oxy)-1-cycloheptene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-2-((triisopropylsilyl)oxy)-1-cycloheptene-1-carboxamide","","CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCCCC1)C(=O)NC2=CC=CC=C2Cl","PTOFASSHHGOKGZ-UHFFFAOYSA-N","395115",NA,"PDBC41078","699405","Present"
-"N-(2-Chlorophenyl)-2-[2-(3-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","CC1=CC(=CC=C1)N=C2NC(=O)C(S2)CC(=O)NC3=CC=CC=C3Cl","ZMVIRHNZQDMDOK-UHFFFAOYSA-N","135456412",NA,"PDBC41079","634478","Present"
-"N-(2-Chlorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3,5-bis(4-hydroxy-3-methoxystyryl)-N-(2-chlorophenyl)-1H...","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)NC3=CC=CC=C3Cl)C=CC4=CC(=C(C=C4)O)OC)O","AAADJKPSAGHJNF-MKICQXMISA-N","155811395",NA,"PDBC41080","763372","Present"
-"N-(2-Chlorophenyl)-3-(4-((2-chlorophenyl)diazenyl)-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-3-[4-[(2-chlorophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanamide","","C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=CC=C3Cl)C(=O)CC(=O)NC4=CC=CC=C4Cl","NBGWYLQFBQVKMH-UHFFFAOYSA-N","370002",NA,"PDBC41081","642566","Present"
-"N-(2-Chlorophenyl)-3-(4-((2-ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-3-[4-[(2-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide","","CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3Cl)C","OOHFEHOTRHKUTO-UHFFFAOYSA-N","386798",NA,"PDBC41082","679506","Present"
-"N-(2-Chlorophenyl)-3-(4-((2-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-3-(4-((2-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","COC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5","KUUOOOAYGCWPJU-UHFFFAOYSA-N","369130",NA,"PDBC41083","640678","Present"
-"N-(2-Chlorophenyl)-3-(4-((4-ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-3-(4-((4-ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","CCOC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5","NGNIXKXUARQBOI-UHFFFAOYSA-N","372602",NA,"PDBC41084","647963","Present"
-"N-(2-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","COC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5","QDRBXJXNJOWHIG-UHFFFAOYSA-N","369132",NA,"PDBC41085","640680","Present"
-"N-(2-Chlorophenyl)-3-hydrazinyl-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","STK498210","","C1=CC=C(C(=C1)NC(=O)CC(=O)NN)Cl","JCEOTIGGJKOJRB-UHFFFAOYSA-N","385911",NA,"PDBC41086","677373","Present"
-"N-(2-Chlorophenyl)-3-imino-1-methyl-6-(methylthio)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-3-imino-1-methyl-6-(methylthio)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","CN1C2=NC(=NC(=C2C(=N1)N)NC3=CC=CC=C3Cl)SC","YLINFAJAHAYOJI-UHFFFAOYSA-N","394389",NA,"PDBC41087","697789","Present"
-"N-(2-Chlorophenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","C1C(N(N=C1N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)CC(=O)NC5=CC=CC=C5Cl)C6=CC=CC=C6","MQZBGWBGBNRQDE-UHFFFAOYSA-N","389697",NA,"PDBC41088","686241","Present"
-"N-(2-Chlorophenyl)-3-{4-[(E)-(4-chlorophenyl)diazenyl]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-3-[4-[(4-chlorophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanamide","","C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=C(C=C3)Cl)C(=O)CC(=O)NC4=CC=CC=C4Cl","FKVLWOJNRCWKPA-UHFFFAOYSA-N","370004",NA,"PDBC41089","642568","Present"
-"N-(2-Chlorophenyl)-4-(2-naphthyl)-2,4-dioxo-3-((2,4,6-trioxohexahydro-5-pyrimidinyl)methyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-4-naphthalen-2-yl-2,4-dioxo-3-[(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]butanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(CC3C(=O)NC(=O)NC3=O)C(=O)C(=O)NC4=CC=CC=C4Cl","KWTWFYCOSHFQMK-UHFFFAOYSA-N","373472",NA,"PDBC41090","649827","Present"
-"N-(2-Chlorophenyl)-4-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-4-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide","","CN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","XDHOXAAWDBWHAW-UHFFFAOYSA-N","383168",NA,"PDBC41091","671281","Present"
-"N-(2-Chlorophenyl)-4-nitrobenzamide","","","","","","","","","","","","","","","","","","","","2'-Chloro-4-nitrobenzanilide","","C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl","LTKULTUWDIUMNO-UHFFFAOYSA-N","221830",NA,"PDBC41092","6902","Present"
-"N-(2-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea","","CC1=CC(=NC(=C1)NC(=S)NC2=CC=CC=C2Cl)C","KCNOTUVLBPOHOK-UHFFFAOYSA-N","3005372",NA,"PDBC41093","695060","Present"
-"N-(2-Chlorophenyl)-N,2-dihydroxy-2,2-diphenylacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-N,2-dihydroxy-2,2-diphenylacetamide","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)N(C3=CC=CC=C3Cl)O)O","BXRDPFUDDFOFSK-UHFFFAOYSA-N","387900",NA,"PDBC41094","682131","Present"
-"N-(2-Chlorophenyl)-N-methyl-2-((triisopropylsilyl)oxy)-1-cyclohexene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-N-methyl-2-((triisopropylsilyl)oxy)-1-cyclohexene-1-carboxamide","","CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCCC1)C(=O)N(C)C2=CC=CC=C2Cl","RKZMCSDZAAPJGT-UHFFFAOYSA-N","395108",NA,"PDBC41095","699398","Present"
-"N-(2-Chlorophenyl)-N-methyl-2-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Chloro-phenyl)-N-methyl-2-nitro-benzenesulfonamide","","CN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","QLUUOLWQTPTAIE-UHFFFAOYSA-N","383167",NA,"PDBC41096","671280","Present"
-"N-(2-Chlorophenyl)-N-methyl-2-oxocycloheptane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-N-methyl-2-oxocycloheptane-1-carboxamide","","CN(C1=CC=CC=C1Cl)C(=O)C2CCCCCC2=O","JZPBKANTYLVUFF-UHFFFAOYSA-N","395112",NA,"PDBC41097","699402","Present"
-"N-(2-Chlorophenyl)-N-methyl-2-tri(propan-2-yl)silyloxycycloheptene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-N-methyl-2-tri(propan-2-yl)silyloxycycloheptene-1-carboxamide","","CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCCCC1)C(=O)N(C)C2=CC=CC=C2Cl","NOKDXBFAONJVTF-UHFFFAOYSA-N","395116",NA,"PDBC41098","699406","Present"
-"N-(2-Chlorophenyl)-N-methyl-2-tri(propan-2-yl)silyloxycyclopentene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Chlorophenyl)-N-methyl-2-tri(propan-2-yl)silyloxycyclopentene-1-carboxamide","","CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCC1)C(=O)N(C)C2=CC=CC=C2Cl","ICFXIELSQXSJRJ-UHFFFAOYSA-N","395111",NA,"PDBC41099","699401","Present"
-"N-(2-Chlorophenyl)-N-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","AE-562/12222143","","CN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC=C2","LGSFCNQOKBXWSV-UHFFFAOYSA-N","383177",NA,"PDBC41100","671290","Present"
-"N-(2-Chlorophenyl)cinnamamide","","","","","","","","","","","","","","","","","","","","7160AJ","","C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2Cl","FKLXMLNUDVRAJG-ZHACJKMWSA-N","765318",NA,"PDBC41101","191390","Present"
-"N-(2-Cyano-4-(hydroxy(oxido)amino)phenyl)-3-(1,3-dihydro-2-benzofuran-1-yl)-4-(2-naphthyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyano-4-nitrophenyl)-3-(1,3-dihydro-2-benzofuran-1-yl)-4-naphthalen-2-yl-2,4-dioxobutanamide","","C1C2=CC=CC=C2C(O1)C(C(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])C#N","FEFWCRHVTQHVQE-UHFFFAOYSA-N","369459",NA,"PDBC41102","641229","Present"
-"N-(2-Cyano-4-(hydroxy(oxido)amino)phenyl)-N'-isobutyrylthiourea","","","","","","","","","","","","","","","","","","","","N-(2-Cyano-4-(hydroxy(oxido)amino)phenyl)-N'-isobutyrylthiourea","","CC(C)C(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N","PRNRQLPEROJQHH-UHFFFAOYSA-N","3004247",NA,"PDBC41103","640344","Present"
-"N-(2-Cyano-4-nitrophenyl)-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyano-4-(hydroxy(oxido)amino)phenyl)-2,2,2-trifluoroacetamide","","C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)C(F)(F)F","QWUQUNAWYYMGST-UHFFFAOYSA-N","366963",NA,"PDBC41104","636125","Present"
-"N-(2-Cyano-4-nitrophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyano-4-nitrophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N","XHARTLMKCFPBFS-UHFFFAOYSA-N","3000684",NA,"PDBC41105","645885","Present"
-"N-(2-Cyanoethyl)-2-diazo-N-methyl-3-oxo-butanamide","","","","","","","","","","","","","","","","","","","","1-[(2-Cyanoethyl)(methyl)amino]-2-diazonio-3-oxobut-1-en-1-olate","","CC(=O)C(=[N+]=[N-])C(=O)N(C)CCC#N","CYEQKJFEFACFAD-UHFFFAOYSA-N","379006",NA,"PDBC41106","662774","Present"
-"N-(2-Cyanoethyl)-N-(3-methyl-4-(((3-methylphenyl)imino)methyl)phenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(3-methyl-4-(((3-methylphenyl)imino)methyl)phenyl)benzenesulfonamide","","CC1=CC(=CC=C1)N=CC2=C(C=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3)C","XGMLUCBCMHSQQQ-UHFFFAOYSA-N","369349",NA,"PDBC41107","641104","Present"
-"N-(2-Cyanoethyl)-N-(3-methyl-4-((5-oxo-2-(2-phenylvinyl)-1,3-oxazol-4(5H)-ylidene)methyl)phenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-[3-methyl-4-[(Z)-[5-oxo-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-ylidene]methyl]phenyl]benzenesulfonamide","","CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C=CC4=CC=CC=C4","KKZCTSPXZZVXLJ-FBPGSLRJSA-N","6477336",NA,"PDBC41108","645663","Present"
-"N-(2-Cyanoethyl)-N-(3-methylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(3-methylphenyl)benzenesulfonamide","","CC1=CC(=CC=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2","CQGKMAAWYFFSAN-UHFFFAOYSA-N","383955",NA,"PDBC41109","672959","Present"
-"N-(2-Cyanoethyl)-N-(4-(((2-methylphenyl)imino)methyl)phenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(4-(((2-methylphenyl)imino)methyl)phenyl)benzenesulfonamide","","CC1=CC=CC=C1N=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","WUUIRTJMNUXZMK-UHFFFAOYSA-N","372596",NA,"PDBC41110","647957","Present"
-"N-(2-Cyanoethyl)-N-(4-(((3-(hydroxy(oxido)amino)phenyl)imino)methyl)phenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(4-(((3-(hydroxy(oxido)amino)phenyl)imino)methyl)phenyl)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=NC3=CC(=CC=C3)[N+](=O)[O-]","NZSJSGUZJLJPCH-UHFFFAOYSA-N","372597",NA,"PDBC41111","647958","Present"
-"N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)-3-methylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)-3-methylphenyl)benzenesulfonamide","","CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=NC3=CC=C(C=C3)OC","NDYFCBAEYCYIET-UHFFFAOYSA-N","370469",NA,"PDBC41112","643599","Present"
-"N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)phenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)phenyl)benzenesulfonamide","","COC1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","QLIBLEBTZXTNPJ-UHFFFAOYSA-N","372593",NA,"PDBC41113","647954","Present"
-"N-(2-Cyanoethyl)-N-(4-(((4-phenyl-1,3-thiazol-2-yl)imino)methyl)phenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(4-(((4-phenyl-1,3-thiazol-2-yl)imino)methyl)phenyl)benzenesulfonamide","","C1=CC=C(C=C1)C2=CSC(=N2)N=CC3=CC=C(C=C3)N(CCC#N)S(=O)(=O)C4=CC=CC=C4","WANKECCPVFQUSU-OVVQPSECSA-N","9571286",NA,"PDBC41114","641107","Present"
-"N-(2-Cyanoethyl)-N-(4-((phenylimino)methyl)phenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(4-((phenylimino)methyl)phenyl)benzenesulfonamide","","C1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","BGGVTOMPSDLRFU-UHFFFAOYSA-N","372598",NA,"PDBC41115","647959","Present"
-"N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide","","CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=O","CUUKTNIAFXSFOL-UHFFFAOYSA-N","367837",NA,"PDBC41116","637912","Present"
-"N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)methanesulfonamide","","CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C)C=O","UBQMUNBMQLEESX-UHFFFAOYSA-N","367838",NA,"PDBC41117","637913","Present"
-"N-(2-Cyanoethyl)-N-(4-formylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","NCIMech_000836","","C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=O","DBNGLTYHKBKBIV-UHFFFAOYSA-N","367839",NA,"PDBC41118","637914","Present"
-"N-(2-Cyanoethyl)-N-(4-formylphenyl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanoethyl)-N-(4-formylphenyl)methanesulfonamide","","CS(=O)(=O)N(CCC#N)C1=CC=C(C=C1)C=O","KNUOZBGPBBRXAG-UHFFFAOYSA-N","367840",NA,"PDBC41119","637915","Present"
-"N-(2-Cyanophenyl)-2,3,4,5-tetrahydroxy-6-oxo-hexanamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanophenyl)-2,3,4,5-tetrahydroxy-6-oxo-hexanamide","","C1=CC=C(C(=C1)C#N)NC(=O)C(C(C(C(C=O)O)O)O)O","RBGCGCJZQWJJNF-UHFFFAOYSA-N","387308",NA,"PDBC41120","681021","Present"
-"N-(2-Cyanophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide","","C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=NC=C4","UOYBNSKBGIXVEJ-UHFFFAOYSA-N","371546",NA,"PDBC41121","645875","Present"
-"N-(2-Cyanophenyl)-2-((4-(hydroxy(oxido)amino)phenyl)hydrazono)-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(2-Cyanophenyl)-2-[(4-nitrophenyl)hydrazinylidene]-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide","","C1=CC=C(C(=C1)C#N)NC(=O)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3C(=O)NC(=O)NC3=O","WAFQHDTXVORHPL-MYYYXRDXSA-N","9555876",NA,"PDBC41122","646382","Present"
-"N-(2-Cyanophenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanophenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide","","C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C2=C(C3=CC=CC=C3OC2=O)O","MGJDGMITBKIAHX-UHFFFAOYSA-N","54695476",NA,"PDBC41123","648615","Present"
-"N-(2-Cyanophenyl)-2-hydrazono-4-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(2-Cyanophenyl)-2-hydrazinylidene-4-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide","","C1=CC=C(C(=C1)C#N)NC(=O)C(=NN)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=NC=C4","IJLCEOMLHZLXON-BRPDVVIDSA-N","9571293",NA,"PDBC41124","641434","Present"
-"N-(2-Cyanophenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanophenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide","","C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C2C(=O)NC(=S)N2","ORACOXBRMZVSHL-UHFFFAOYSA-N","3004331",NA,"PDBC41125","645891","Present"
-"N-(2-Cyanophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Cyanophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","ZIIWEVVIUDNLCQ-UHFFFAOYSA-N","369243",NA,"PDBC41126","640974","Present"
-"N-(2-Cyanophenyl)-4-methoxybenzamide","","","","","","","","","","","","","","","","","","","","EU-0062958","","COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C#N","JIMAVGYEBLMJJK-UHFFFAOYSA-N","359336",NA,"PDBC41127","620122","Present"
-"N-(2-Cyanophenyl)benzamide","","","","","","","","","","","","","","","","","","","","STK391380","","C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C#N","IQAAKQSNMORTCT-UHFFFAOYSA-N","359334",NA,"PDBC41128","620120","Present"
-"N-(2-Diethylaminoethyl)-2-methyl-3,5-dithioxo-1,2,4-triazine-6-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Diethylaminoethyl)-2-methyl-3,5-dithioxo-1,2,4-triazine-6-carboxamide","","CCN(CC)CCNC(=O)C1=NN(C(=S)NC1=S)C","IQVGHMVTRNDWHN-UHFFFAOYSA-N","3001920",NA,"PDBC41129","627520","Present"
-"N-(2-Diethylaminoethyl)-6-(4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Diethylaminoethyl)-6-(4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide","","CCN(CC)CCNC(=O)C1COC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3","ZVTOVXADFYRGPX-UHFFFAOYSA-N","361049",NA,"PDBC41130","623792","Present"
-"N-(2-Dimethoxymethyl)-3-(phenylthio)-2-pyrroline","","","","","","","","","","","","","","","","","","","","N-(2-Dimethoxymethyl)-3-(phenylthio)-2-pyrroline","","COC(CN1CCC(=C1)SC2=CC=CC=C2)OC","SNJCSUAPHSSAQZ-UHFFFAOYSA-N","368978",NA,"PDBC41131","640437","Present"
-"N-(2-Dimethylaminoethyl)-9,10-dihydro-9,10-dioxo-1-anthracenecarboxamide hydrochloride","","","","","","","","","","","","","","","","","","","","N-(2-Dimethylaminoethyl)-9,10-dihydro-9,10-dioxo-1-anthracenecarboxamide hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O.Cl","GJWMMGZKLWHZDV-UHFFFAOYSA-N","183393",NA,"PDBC41132","623952","Present"
-"N-(2-Dimethylaminoethyl)-9-oxo-9H-xanthene-4-carboxamide hydrochloride","","","","","","","","","","","","","","","","","","","","N-(2-Dimethylaminoethyl)-9-oxo-9H-xanthene-4-carboxamide hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1OC3=CC=CC=C3C2=O.Cl","WRKVHGNZPOIJPQ-UHFFFAOYSA-N","183394",NA,"PDBC41133","617956","Present"
-"N-(2-Dimethylaminoethyloxy)adamantane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Dimethylaminoethyloxy)adamantane-1-carboxamide","","CN(C)CCONC(=O)C12CC3CC(C1)CC(C3)C2","SZFFHWKHOOUBIW-UHFFFAOYSA-N","363358",NA,"PDBC41134","628241","Present"
-"N-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-2,2,6,6-tetrakis(trifluoromethyl)-1,3,5-dioxazin-4-amine","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-2,2,6,6-tetrakis(trifluoromethyl)-1,3,5-dioxazin-4-amine","","CCOP1(=O)C(N(C(=N1)NC2=NC(OC(O2)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C)(C)C","UUGZYRFHUQTTQS-UHFFFAOYSA-N","382497",NA,"PDBC41135","670103","Present"
-"N-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-amine","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-amine","","CCOP1(=O)C(N(C(=N1)NC2=NC(N=C(O2)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C)(C)C","MSKPGMRMRSURKL-UHFFFAOYSA-N","382496",NA,"PDBC41136","670102","Present"
-"N-(2-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide","","CCOC1=CC=CC=C1NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O","KNLPRLCCNPAGBS-UHFFFAOYSA-N","371990",NA,"PDBC41137","646805","Present"
-"N-(2-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CCOC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","GBEMLYVQENFNCL-UHFFFAOYSA-N","366122",NA,"PDBC41138","634409","Present"
-"N-(2-Ethoxyphenyl)-2-(2-(4-(hydroxy(oxido)amino)anilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxyphenyl)-2-[2-(4-nitroanilino)-4-oxo-thiazol-5-yl]acetamide","","CCOC1=CC=CC=C1NC(=O)CC2C(=O)NC(=NC3=CC=C(C=C3)[N+](=O)[O-])S2","RWFHLEJLPWDGTI-UHFFFAOYSA-N","135479049",NA,"PDBC41139","632927","Present"
-"N-(2-Ethoxyphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxyphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide","","CCOC1=CC=CC=C1NC(=O)CCC2=NNC(=S)O2","GCISXYKTVYZSHJ-UHFFFAOYSA-N","4371592",NA,"PDBC41140","618991","Present"
-"N-(2-Ethoxyphenyl)-3-(5-oxo-6-(3-phenylpropylidene)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxyphenyl)-3-[(6Z)-5-oxo-6-(3-phenylpropylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide","","CCOC1=CC=CC=C1NC(=O)CCC2=NN=C3N2C(=O)C(=CCCC4=CC=CC=C4)S3","HFMMIAGEXRUHSN-ZHZULCJRSA-N","5387702",NA,"PDBC41141","625833","Present"
-"N-(2-Ethoxyphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxyphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","CCOC1=CC=CC=C1NC(=O)CCC2=NC(=S)NN2","PVHWIUBFCZPSJK-UHFFFAOYSA-N","3004174",NA,"PDBC41142","634679","Present"
-"N-(2-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","CCOC1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","OJOOTGVNBJKFNB-UHFFFAOYSA-N","369460",NA,"PDBC41143","641230","Present"
-"N-(2-Ethoxyphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxyphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide","","CCOC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","RRJWXDNOCAEJAS-UHFFFAOYSA-N","364333",NA,"PDBC41144","630348","Present"
-"N-(2-Ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","CCOC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","OFXRDYFBGBMQIL-UHFFFAOYSA-N","366532",NA,"PDBC41145","635141","Present"
-"N-(2-Ethoxyphenyl)-4-hydrazino-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethoxyphenyl)-4-hydrazino-4-oxobutanamide","","CCOC1=CC=CC=C1NC(=O)CCC(=O)NN","XACBZTIEKWRHSC-UHFFFAOYSA-N","362236",NA,"PDBC41146","625840","Present"
-"N-(2-Ethyl-3-(3-ethyl-5-methyl-4-((oxo(2,4,6-trioxohexahydro-5-pyrimidinyl)acetyl)amino)benzyl)-6-methylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[2-Ethyl-3-[[3-ethyl-5-methyl-4-[[2-oxo-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetyl]amino]phenyl]methyl]-6-methylphenyl]-2-oxo-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide","","CCC1=C(C(=CC(=C1)CC2=C(C(=C(C=C2)C)NC(=O)C(=O)C3C(=O)NC(=O)NC3=O)CC)C)NC(=O)C(=O)C4C(=O)NC(=O)NC4=O","HLHNCDYRLVHJOH-UHFFFAOYSA-N","371856",NA,"PDBC41147","646376","Present"
-"N-(2-Ethyl-6-isopropylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-isopropylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O","WVKORGAIDBIUHA-UHFFFAOYSA-N","372880",NA,"PDBC41148","648592","Present"
-"N-(2-Ethyl-6-isopropylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-isopropylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","OPHFWKOHMVOISO-UHFFFAOYSA-N","365369",NA,"PDBC41149","632955","Present"
-"N-(2-Ethyl-6-isopropylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-isopropylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O","WODIOYYWVPMYGJ-UHFFFAOYSA-N","371566",NA,"PDBC41150","645895","Present"
-"N-(2-Ethyl-6-isopropylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-isopropylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S","QRSQLCPRXYQGAD-UHFFFAOYSA-N","3000688",NA,"PDBC41151","648611","Present"
-"N-(2-Ethyl-6-methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CCC1=CC=CC(=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O)C","XVSVWVOBVSNXAB-UHFFFAOYSA-N","360692",NA,"PDBC41152","623028","Present"
-"N-(2-Ethyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CCC1=CC=CC(=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C","YUICUTSNDOALGJ-UHFFFAOYSA-N","367676",NA,"PDBC41153","637607","Present"
-"N-(2-Ethyl-6-methylphenyl)-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-methylphenyl)-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propanamide","","CCC1=CC=CC(=C1NC(=O)CCC2=NN=C(O2)SC)C","ORDCFYRUBSQPSH-UHFFFAOYSA-N","366518",NA,"PDBC41154","635127","Present"
-"N-(2-Ethyl-6-methylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-methylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","CCC1=CC=CC(=C1NC(=O)CCC2=NC(=S)NN2)C","JSSMBABDJJAYNX-UHFFFAOYSA-N","3004173",NA,"PDBC41155","634665","Present"
-"N-(2-Ethyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","CCC1=CC=CC(=C1NC(=O)CCC2=NNC(=S)O2)C","RJUMRHZXXDWAHO-UHFFFAOYSA-N","3004208",NA,"PDBC41156","636109","Present"
-"N-(2-Ethyl-6-methylphenyl)-3-(6-(1-naphthylmethylene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-methylphenyl)-3-[(6Z)-6-(naphthalen-1-ylmethylidene)-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide","","CCC1=CC=CC(=C1NC(=O)CCC2=NN=C3N2C(=O)C(=CC4=CC=CC5=CC=CC=C54)S3)C","FLLKVUGVRCMUGX-JWGURIENSA-N","5387701",NA,"PDBC41157","625832","Present"
-"N-(2-Ethyl-6-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","OV5240TL4C","","CCC1=CC=CC(=C1NC(=O)C)C","OEYCXAGQPZAQQE-UHFFFAOYSA-N","178926",NA,"PDBC41158","627713","Present"
-"N-(2-Ethyl-6-methylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","PhSO2NH-2Et6MePh","","CCC1=CC=CC(=C1NS(=O)(=O)C2=CC=CC=C2)C","IXQWZFREIZQQLA-UHFFFAOYSA-N","363137",NA,"PDBC41159","627712","Present"
-"N-(2-Ethyl-6-propan-2-ylphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-6-propan-2-ylphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide","","CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","IRXNJSVZSWQMOP-UHFFFAOYSA-N","366762",NA,"PDBC41160","635535","Present"
-"N-(2-Ethyl-phenyl)-2-hydroxyimino-3-oxo-butyramide","","","","","","","","","","","","","","","","","","","","N-(2-Ethyl-phenyl)-2-hydroxyimino-3-oxo-butyramide","","CCC1=CC=CC=C1NC(=O)C(=C(C)O)N=O","GHPJSSQIKOKVGT-DHZHZOJOSA-N","135462474",NA,"PDBC41161","636807","Present"
-"N-(2-Ethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","CCC1=CC=CC=C1NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N","JGFPJQXISCLJJD-UHFFFAOYSA-N","364954",NA,"PDBC41162","631840","Present"
-"N-(2-Ethylphenyl)-2-(4-oxo-1,3-thiazolidin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethylphenyl)-2-(4-oxo-1,3-thiazolidin-2-yl)acetamide","","CCC1=CC=CC=C1NC(=O)CC2NC(=O)CS2","VJRUURGWNAUBTG-UHFFFAOYSA-N","367610",NA,"PDBC41163","637442","Present"
-"N-(2-Ethylphenyl)-2-hydroxy-3-nitrobenzamide","","","","","","","","","","","","","","","","","","","","2'-Ethyl-3-nitrosalicylanilide","","CCC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","ZMRHTPIJGGJNLI-UHFFFAOYSA-N","259820",NA,"PDBC41164","90411","Present"
-"N-(2-Ethylphenyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethylphenyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","CCC1=CC=CC=C1NC(=O)C(=O)C(C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC","KHSCGJATQXQZQI-UHFFFAOYSA-N","360435",NA,"PDBC41165","622571","Present"
-"N-(2-Ethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","CCC1=CC=CC=C1NC(=O)CCC2=NNC(=S)O2","WWLJKDTZCZTUCM-UHFFFAOYSA-N","3004205",NA,"PDBC41166","636105","Present"
-"N-(2-Ethylphenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethylphenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","CCC1=CC=CC=C1NC(=O)CCC2=NC(=S)NN2","ZNHJWCSYKOUVKR-UHFFFAOYSA-N","3004077",NA,"PDBC41167","625836","Present"
-"N-(2-Ethylphenyl)-3-isobutyryl-2-oxoheptanamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethylphenyl)-3-isobutyryl-2-oxoheptanamide","","CCCCC(C(=O)C(C)C)C(=O)C(=O)NC1=CC=CC=C1CC","AFVMTCSENLGXCN-UHFFFAOYSA-N","360429",NA,"PDBC41168","622565","Present"
-"N-(2-Ethylsulfinylacetyl)-N-phenylhex-5-ynamide","","","","","","","","","","","","","","","","","","","","N-(2-Ethylsulfinylacetyl)-N-phenylhex-5-ynamide","","CCS(=O)CC(=O)N(C1=CC=CC=C1)C(=O)CCCC#C","MLQCCTKUHOODMG-UHFFFAOYSA-N","397436",NA,"PDBC41169","705294","Present"
-"N-(2-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC=CC=C4F)F","SQNRYFRSPCYXID-UHFFFAOYSA-N","135426693",NA,"PDBC41170","709563","Present"
-"N-(2-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC(=CC=C4)F)F","SXENSPNEYWGLLZ-UHFFFAOYSA-N","135426694",NA,"PDBC41171","709564","Present"
-"N-(2-Fluorophenyl)-3-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Fluorophenyl)-3-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide","","CC1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C(=O)CC(=O)NC3=CC=CC=C3F","UCSDHAYQLGLXSW-UHFFFAOYSA-N","370821",NA,"PDBC41172","644472","Present"
-"N-(2-Fluorophenyl)-3-hydrazino-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Fluorophenyl)-3-hydrazino-3-oxopropanamide","","C1=CC=C(C(=C1)NC(=O)CC(=O)NN)F","FNIRLWINUQJFMS-UHFFFAOYSA-N","370454",NA,"PDBC41173","643585","Present"
-"N-(2-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=C3F)O","FOWSWUFETIMEKG-UHFFFAOYSA-N","135426700",NA,"PDBC41174","709578","Present"
-"N-(2-Fluorophenyl)-7-hydroxy-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Fluorophenyl)-7-hydroxy-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide","","C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC=CC(=C4)C(F)(F)F)F","QLOQZUDCKIKBNZ-UHFFFAOYSA-N","135426695",NA,"PDBC41175","709566","Present"
-"N-(2-Fluorophenyl)-7-hydroxy-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Fluorophenyl)-7-hydroxy-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide","","C1=CC=C(C(=C1)NC(=O)C2=C(N=C3N(C2=O)C=CS3)O)F","WEYCBWFTVJIATQ-UHFFFAOYSA-N","135409172",NA,"PDBC41176","663554","Present"
-"N-(2-Fluorophenyl)-N'-(3-{3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanoyl)malonamide","","","","","","","","","","","","","","","","","","","","N-(2-Fluorophenyl)-N'-[3-[3-methyl-4-[(4-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanoyl]propanediamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC(=O)NC(=O)CC(=O)NC3=CC=CC=C3F","BLNUOIYFXDGPAX-UHFFFAOYSA-N","370458",NA,"PDBC41177","643589","Present"
-"N-(2-Fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-p-toluenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-p-toluenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(CC(C2=CC=CC=C2)O)C3=CC=CC=C3F","SIRZVLZKALFINI-UHFFFAOYSA-N","404084",NA,"PDBC41178","720205","Present"
-"N-(2-Fluorophenyl)-N-(2-hydroxycyclohexyl)-p-toluenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Fluorophenyl)-N-(2-hydroxycyclohexyl)-p-toluenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(C2CCCCC2O)C3=CC=CC=C3F","RDEWYSPZHTYTSS-UHFFFAOYSA-N","404086",NA,"PDBC41179","720207","Present"
-"N-(2-Fluorophenyl)Cinnamamide","","","","","","","","","","","","","","","","","","","","AK155863","","C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2F","GFAVMCPSQILRPK-ZHACJKMWSA-N","875024",NA,"PDBC41180","191382","Present"
-"N-(2-Formyl-3-methoxyphenyl)-2,2-dimethylpropanamide","","","","","","","","","","","","","","","","","","","","CD-0726","","CC(C)(C)C(=O)NC1=C(C(=CC=C1)OC)C=O","YXASJBNPUMOCRO-UHFFFAOYSA-N","360048",NA,"PDBC41181","621846","Present"
-"N-(2-Formyl-5-methoxyphenyl)-2-methylpropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Formyl-5-methoxyphenyl)-2-methylpropanamide","","CC(C)C(=O)NC1=C(C=CC(=C1)OC)C=O","UXKKYDFDHXDCIY-UHFFFAOYSA-N","357870",NA,"PDBC41182","617404","Present"
-"N-(2-Formyl-5-methoxyphenyl)-N,2,2-trimethylpropanamide","","","","","","","","","","","","","","","","","","","","N-(2-Formyl-5-methoxyphenyl)-N,2,2-trimethylpropanamide","","CC(C)(C)C(=O)N(C)C1=C(C=CC(=C1)OC)C=O","GNPPRXBOBKZACL-UHFFFAOYSA-N","357690",NA,"PDBC41183","617207","Present"
-"N-(2-Formylphenyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","EC-000.1784","","CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C=O","QLQGABDYGHEFOM-UHFFFAOYSA-N","274241",NA,"PDBC41184","120186","Present"
-"N-(2-Furylmethyl)-2-(2-pyridinyl)ethanamine","","","","","","","","","","","","","","","","","","","","N-(2-Furylmethyl)-2-(2-pyridinyl)ethanamine","","C1=CC=NC(=C1)CCNCC2=CC=CO2","YWXVVNIDMJBPNK-UHFFFAOYSA-N","238327",NA,"PDBC41185","42656","Present"
-"N-(2-Hydrazino-4-oxoquinazolin-3(4H)-yl)-N'-[3-(trifluoromethyl)phenyl]ethanediamide","","","","","","","","","","","","","","","","","","","","N-(2-Hydrazino-4-oxoquinazolin-3(4H)-yl)-N'-[3-(trifluoromethyl)phenyl]ethanediamide","","C1=CC=C2C(=C1)C(=O)N(C(=N2)NN)NC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F","WYLMBBIZMCYYIH-UHFFFAOYSA-N","372949",NA,"PDBC41186","648661","Present"
-"N-(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC(CO)(CO)CO","LZTRRHSDDPSGGT-UHFFFAOYSA-N","384534",NA,"PDBC41187","674505","Present"
-"N-(2-Hydroxy-1,1-dimethylethyl)-2-thiophenecarboxamide","","","","","","","","","","","","","","","","","","","","HZZPXTGUJSITKM-UHFFFAOYSA-","","CC(C)(CO)NC(=O)C1=CC=CS1","HZZPXTGUJSITKM-UHFFFAOYSA-N","382480",NA,"PDBC41188","670086","Present"
-"N-(2-Hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide","","","","","","","","","","","","","","","","","","","","Acetamide, N-[5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy...","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)O)OC","OMQLBXIHBJAOIO-UHFFFAOYSA-N","435445",NA,"PDBC41189","369937","Present"
-"N-(2-Hydroxy-2-phenylpropyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","F6200-1716","","CC(CNS(=O)(=O)C1=CC=CC=C1)(C2=CC=CC=C2)O","OCFFLLSDBSKNFW-UHFFFAOYSA-N","242440",NA,"PDBC41190","51070","Present"
-"N-(2-Hydroxy-3-(octanoylamino)propyl)octanamide","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxy-3-(octanoylamino)propyl)octanamide","","CCCCCCCC(=O)NCC(CNC(=O)CCCCCCC)O","LYMNDWKZMXKZHF-UHFFFAOYSA-N","361855",NA,"PDBC41191","625176","Present"
-"N-(2-Hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C(=C(C(=C3F)F)F)F)F","BSKHCFJSWURNRS-UHFFFAOYSA-N","404083",NA,"PDBC41192","720204","Present"
-"N-(2-Hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C(=CC(=C3F)F)F)F","BNGLRQJRJUTPSW-UHFFFAOYSA-N","404082",NA,"PDBC41193","720203","Present"
-"N-(2-Hydroxy-3-phenoxypropyl)-N-tosyl-2-chlorobenzeneamine","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxy-3-phenoxypropyl)-N-tosyl-2-chlorobenzeneamine","","CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=CC=CC=C3Cl","SLIQEEZJFALXJB-UHFFFAOYSA-N","404087",NA,"PDBC41194","720208","Present"
-"N-(2-Hydroxy-5-methylphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxy-5-methylphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","CC1=CC(=C(C=C1)O)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=C3)C(F)(F)F","RRPNOLAOGNULEP-UHFFFAOYSA-N","54613407",NA,"PDBC41195","748712","Present"
-"N-(2-Hydroxy-5-methylphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxy-5-methylphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide","","CC1=CC(=C(C=C1)O)NC(=O)C2=CC=C(C=C2)CNC3=CC(=NC=C3)C(F)(F)F","HKPBMUSVXAPONE-UHFFFAOYSA-N","54613415",NA,"PDBC41196","748715","Present"
-"N-(2-Hydroxybenzylidene)valine","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxybenzylidene)valine","","CC(C)C(C(=O)O)N=CC1=CC=CC=C1O","RUNAUAUFPNXLFO-UHFFFAOYSA-N","364251",NA,"PDBC41197","99419","Present"
-"N-(2-Hydroxyethyl)-2-[1-(2-hydroxyethyl)-4-methyl-6-oxopyridin-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxy-ethyl)-2-[1-(2-hydroxy-ethyl)-4-methyl-6-oxo-1,6-dihydro-pyridin-2-yl]-acetamide","","CC1=CC(=O)N(C(=C1)CC(=O)NCCO)CCO","LLJPPGDKPVCQFH-UHFFFAOYSA-N","365730",NA,"PDBC41198","633671","Present"
-"N-(2-Hydroxyethyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxyethyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCO","WPXNGDFALRIPKY-UHFFFAOYSA-N","384530",NA,"PDBC41199","674501","Present"
-"N-(2-Hydroxyethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxyethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCO)NC4=CC=C(C=C4)S(=O)(=O)N","YOVNKCPYSFMDPL-UHFFFAOYSA-N","384529",NA,"PDBC41200","674500","Present"
-"N-(2-Hydroxyethyl)-N-[(1H-imidazol-5-yl)methyl]-N-methylhexadecan-1-aminium chloride","","","","","","","","","","","","","","","","","","","","1H-Imidazole-4-methanaminium, N-hexadecyl-N-(2-hydroxyet...","","CCCCCCCCCCCCCCCC[N+](C)(CCO)CC1=CN=CN1.[Cl-]","MXQQSGPXGZJFFC-UHFFFAOYSA-M","21144688",NA,"PDBC41201","265875","Present"
-"N-(2-Hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide","","","","","","","","","","","","","","","","","","","","NSC773319","","C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)O","VFPIDGYYGNFYMH-UHFFFAOYSA-N","5045370",NA,"PDBC41202","773319","Present"
-"N-(2-Hydroxyphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Hydroxyphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide","","C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CNC3=CC(=NC=C3)C(F)(F)F)O","HEUBKNQLUZSSDS-UHFFFAOYSA-N","54613337",NA,"PDBC41203","748708","Present"
-"N-(2-Imidazol-1-ylethyl)-4-(2-nitroimidazol-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Imidazol-1-ylethyl)-4-(2-nitroimidazol-1-yl)butanamide","","C1=CN(C=N1)CCNC(=O)CCCN2C=CN=C2[N+](=O)[O-]","XROWHSGXXSTTBN-UHFFFAOYSA-N","369981",NA,"PDBC41204","642499","Present"
-"N-(2-Iodophenyl)-3,3-dimethyl-2-methylene-4-pentenamide","","","","","","","","","","","","","","","","","","","","N-(2-Iodophenyl)-3,3-dimethyl-2-methylene-4-pentenamide","","CC(C)(C=C)C(=C)C(=O)NC1=CC=CC=C1I","QBZZMYOPOQLMLQ-UHFFFAOYSA-N","393205",NA,"PDBC41205","694693","Present"
-"N-(2-Iodophenyl)-N,3,3-trimethyl-2-methylene-4-pentenamide","","","","","","","","","","","","","","","","","","","","N-(2-Iodophenyl)-N,3,3-trimethyl-2-methylene-4-pentenamide","","CC(C)(C=C)C(=C)C(=O)N(C)C1=CC=CC=C1I","ADZCBKZRJRGWDY-UHFFFAOYSA-N","393206",NA,"PDBC41206","694694","Present"
-"N-(2-Iodophenyl)-N-(2-methoxyethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Iodophenyl)-N-(2-methoxyethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide","","COCCOCN(C1=CC=CC=C1I)C(=O)C2=CCC3(CC2)OCCO3","JBCFLBBGLQGXOZ-UHFFFAOYSA-N","393180",NA,"PDBC41207","694668","Present"
-"N-(2-Iodophenyl)-N-(2-trimethylsilylethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Iodophenyl)-N-(2-trimethylsilylethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide","","C[Si](C)(C)CCOCN(C1=CC=CC=C1I)C(=O)C2=CCC3(CC2)OCCO3","WSVULZLKQSEXSL-UHFFFAOYSA-N","393192",NA,"PDBC41208","694680","Present"
-"N-(2-Iodophenyl)-N-methyl-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Iodophenyl)-N-methyl-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide","","CN(C1=CC=CC=C1I)C(=O)C2=CCC3(CC2)OCCO3","RNFWSGKFKRXTIL-UHFFFAOYSA-N","393178",NA,"PDBC41209","694666","Present"
-"N-(2-Iodophenyl)-N-methyl-1-cycloheptene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Iodophenyl)-N-methyl-1-cycloheptene-1-carboxamide","","CN(C1=CC=CC=C1I)C(=O)C2=CCCCCC2","QPSSPXPNRGPWHG-UHFFFAOYSA-N","393187",NA,"PDBC41210","694675","Present"
-"N-(2-Iodylphenyl)-N-methylcyclohexanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2-iodylphenyl)-N-methylcyclohexanecarboxamide","","CN(C1=CC=CC=C1I(=O)=O)C(=O)C2CCCCC2","QAGOJOIOIZGEQI-UHFFFAOYSA-N","11552534",NA,"PDBC41211","737259","Present"
-"N-(2-Iodylphenyl)-N-methylpivalamide","","","","","","","","","","","","","","","","","","","","N-(2-iodylphenyl)-N-methylpivalamide","","CC(C)(C)C(=O)N(C)C1=CC=CC=C1I(=O)=O","BQNOALGNYUOPBP-UHFFFAOYSA-N","24205923",NA,"PDBC41212","737260","Present"
-"N-(2-Iodylphenyl)cyclohexanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2-iodylphenyl)cyclohexanecarboxamide","","C1CCC(CC1)C(=O)NC2=CC=CC=C2I(=O)=O","SRAXMQMAHYEJGW-UHFFFAOYSA-N","24205921",NA,"PDBC41213","737257","Present"
-"N-(2-Iodylphenyl)pivalamide","","","","","","","","","","","","","","","","","","","","N-(2-iodylphenyl)pivalamide","","CC(C)(C)C(=O)NC1=CC=CC=C1I(=O)=O","ASOWTECVVJGCQK-UHFFFAOYSA-N","24205922",NA,"PDBC41214","737258","Present"
-"N-(2-Isopropoxy-3-methoxybenzylidene)-6,7-dimethoxy-1-naphthalenamine","","","","","","","","","","","","","","","","","","","","N-(2-Isopropoxy-3-methoxybenzylidene)-6,7-dimethoxy-1-naphthalenamine","","CC(C)OC1=C(C=CC=C1OC)C=NC2=CC=CC3=CC(=C(C=C32)OC)OC","VKCYVFGHMVLWFL-UHFFFAOYSA-N","371214",NA,"PDBC41215","645263","Present"
-"N-(2-Isopropyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Isopropyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","AMOAUJZVXKOCOI-UHFFFAOYSA-N","366862",NA,"PDBC41216","635841","Present"
-"N-(2-Isopropylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Isopropylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","CC(C)C1=CC=CC=C1NC(=O)CCC2=NNC(=S)O2","DWWDYKFQMUISQW-UHFFFAOYSA-N","3004201",NA,"PDBC41217","636100","Present"
-"N-(2-Methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-5-yl)-4-methylbenzenesulfonamide;4-methyl-N-(2-methyl-1-oxopropan-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-5-yl)-4-methylbenzenesulfonamide;4-methyl-N-(2-methyl-1-oxopropan-2-yl)benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC2CCCC3C2CCC(O3)OC.CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)C=O","BYHSXWPCCRPFCQ-UHFFFAOYSA-N","358277",NA,"PDBC41218","618221","Present"
-"N-(2-Methoxy-5-methylphenyl)cyanothioformamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxy-5-methylphenyl)cyanothioformamide","","CC1=CC(=C(C=C1)OC)NC(=S)C#N","HFYRKHHGWAXCQL-UHFFFAOYSA-N","3510953",NA,"PDBC41219","369320","Present"
-"N-(2-Methoxyethyl)-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyethyl)-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide","","COCCN(C1CCC(=O)C2=C1C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4","JCHLODAJDLVHRV-UHFFFAOYSA-N","385077",NA,"PDBC41220","676006","Present"
-"N-(2-Methoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide","","CC(=O)N(CCOC)C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2","KJHPNNIYKNSSCW-UHFFFAOYSA-N","385075",NA,"PDBC41221","676004","Present"
-"N-(2-Methoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide","","COCCN(C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2)C(=O)C5=CC=CC=C5","LLMJEIVNXZCLQJ-UHFFFAOYSA-N","385076",NA,"PDBC41222","676005","Present"
-"N-(2-Methoxyethyl)spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyethyl)spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine","","COCCNC1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2","ODXRSRHKEHVMQZ-UHFFFAOYSA-N","385080",NA,"PDBC41223","676009","Present"
-"N-(2-Methoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide","","COC1=CC=CC=C1NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O","ZXVIFYTUOVPUQV-UHFFFAOYSA-N","372006",NA,"PDBC41224","646822","Present"
-"N-(2-Methoxyphenyl)-2-oxo-3-(2-quinoxalinyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyphenyl)-2-oxo-3-(2-quinoxalinyl)propanamide","","COC1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3N=C2","NWFMBAXAWLVUCR-UHFFFAOYSA-N","373344",NA,"PDBC41225","649560","Present"
-"N-(2-Methoxyphenyl)-3-oxo-3-(2-(2-oxo-2-((5-phenyl-1,3,4-oxadiazol-2-yl)amino)ethyl)hydrazino)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyphenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]hydrazinyl]propanamide","","COC1=CC=CC=C1NC(=O)CC(=O)NNCC(=O)NC2=NN=C(O2)C3=CC=CC=C3","KPPOTKDYPBPFRW-UHFFFAOYSA-N","369999",NA,"PDBC41226","642563","Present"
-"N-(2-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","COC1=CC=CC=C1NC(=O)CC(=O)N2C(CC(=N2)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6","UDSJBKMIQIVQFY-UHFFFAOYSA-N","389696",NA,"PDBC41227","686240","Present"
-"N-(2-Methoxyphenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyphenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide","","COC1=CC=CC=C1NC(=O)CC(=O)NNCC(=O)NC2=NC(=CS2)C3=CC=CC=C3","LYLLOCCKVDDWBX-UHFFFAOYSA-N","357548",NA,"PDBC41228","617012","Present"
-"N-(2-Methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4OC)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","VADYNSKBISMIIG-UHFFFAOYSA-N","384848",NA,"PDBC41229","675366","Present"
-"N-(2-Methoxyphenyl)-N'-(4-methyl-2-pyridinyl)thiourea","","","","","","","","","","","","","","","","","","","","1-(2-Methoxyphenyl)-3-(4-methyl-2-pyridyl)thiourea","","CC1=CC(=NC=C1)NC(=S)NC2=CC=CC=C2OC","GQIGXZSDBVMKHO-UHFFFAOYSA-N","3005370",NA,"PDBC41230","695058","Present"
-"N-(2-Methoxyphenyl)furo[3,2-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-(2-Methoxyphenyl)furo[3,2-c]quinolin-4-amine","","COC1=CC=CC=C1NC2=NC3=CC=CC=C3C4=C2C=CO4","XWBOIHIZWRJEIB-UHFFFAOYSA-N","24203911",NA,"PDBC41231","730141","Present"
-"N-(2-Methyl-1,1-dioxido-7-pentyl-2,7-dihydroimidazo[4,5-e][1,2,4]thiadiazin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Methyl-1,1-dioxido-7-pentyl-2,7-dihydroimidazo[4,5-e][1,2,4]thiadiazin-3-yl)benzamide","","CCCCCN1C=NC2=C1S(=O)(=O)N(C(=N2)NC(=O)C3=CC=CC=C3)C","UGHBZMXBKXIHPO-UHFFFAOYSA-N","375569",NA,"PDBC41232","655356","Present"
-"N-(2-Methyl-1-prop-2-enylbenzimidazol-5-yl)-2-pyrrolidin-1-yl-7H-purin-6-amine","","","","","","","","","","","","","","","","","","","","N-(1-allyl-2-methyl-1H-benzo[d]imidazol-5-yl)-2-(pyrroli...","","CC1=NC2=C(N1CC=C)C=CC(=C2)NC3=NC(=NC4=C3NC=N4)N5CCCC5","SDYFRFXOCIXTPQ-UHFFFAOYSA-N","155808468",NA,"PDBC41233","778814","Present"
-"N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)-2-nitrobenzamide","","","","","","","","","","","","","","","","","","","","N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)-2-nitrobenzamide","","CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3[N+](=O)[O-]","MUXGECPMCVCODZ-UHFFFAOYSA-N","376421",NA,"PDBC41234","657335","Present"
-"N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)-4-nitrobenzamide","","","","","","","","","","","","","","","","","","","","N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)-4-nitrobenzamide","","CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","UEXMKVOJEFTHOK-UHFFFAOYSA-N","376427",NA,"PDBC41235","657341","Present"
-"N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)pyridine-2-carboxamide","","CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=N3","RNYVKKOWKAVEAH-UHFFFAOYSA-N","376418",NA,"PDBC41236","657332","Present"
-"N-(2-Methyl-6-neopentylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-[2-(2,2-Dimethylpropyl)-6-methylphenyl]-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","CC1=C(C(=CC=C1)CC(C)(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","MPZDCDNOZWMXGR-UHFFFAOYSA-N","369456",NA,"PDBC41237","641226","Present"
-"N-(2-Methyl-9,10-dioxoanthracen-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl)acetamide","","CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)NC(=O)C","LGEHJBUXJXWUHV-UHFFFAOYSA-N","363560",NA,"PDBC41238","628524","Present"
-"N-(2-Methylbutan-2-yl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","STL382134","","CCC(C)(C)NS(=O)(=O)C1=CC=CC=C1","REOBTHQZMVAVFT-UHFFFAOYSA-N","363138",NA,"PDBC41239","627720","Present"
-"N-(2-Methylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2CCOC2=O","WGHWKQDRPHCWIB-UHFFFAOYSA-N","361009",NA,"PDBC41240","623742","Present"
-"N-(2-Methylphenyl)-2,4-dioxo-4-(3,6,7-trimethyl-1,4-dioxidoquinoxalin-2-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-2,4-dioxo-4-(3,6,7-trimethyl-1,4-dioxidoquinoxalin-2-yl)butanamide","","CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N(C3=C([N+]2=O)C=C(C(=C3)C)C)[O-])C","HWGJBSUQDFKGBD-UHFFFAOYSA-N","364311",NA,"PDBC41241","630329","Present"
-"N-(2-Methylphenyl)-2,4-dioxodecanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-2,4-dioxodecanamide","","CCCCCCC(=O)CC(=O)C(=O)NC1=CC=CC=C1C","RTIAFNCIZWUYPW-UHFFFAOYSA-N","366975",NA,"PDBC41242","636137","Present"
-"N-(2-Methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","RVFIOMHKARCXSS-UHFFFAOYSA-N","366124",NA,"PDBC41243","634411","Present"
-"N-(2-Methylphenyl)-2-(2-(2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino)-1,3-thiazol-4-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(o-Tolyl)-2-[2-[(2Z)-2-(2-oxoindolin-3-ylidene)hydrazino]thiazol-4-yl]acetamide","","CC1=CC=CC=C1NC(=O)CC2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O","SDJLRUIZKOGSLL-UHFFFAOYSA-N","376659",NA,"PDBC41244","657705","Present"
-"N-(2-Methylphenyl)-2-[2-[(2E)-2-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinyl]-1,3-thiazol-4-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-2-[2-[(2E)-2-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinyl]-1,3-thiazol-4-yl]acetamide","","CC1=CC=CC=C1NC(=O)CC2=CSC(=N2)NN=C3NC(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])S3","RPLXSTBXRCHYRF-ZDLGFXPLSA-N","135499371",NA,"PDBC41245","657586","Present"
-"N-(2-Methylphenyl)-2-oxo-3-(2-quinoxalinyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-2-oxo-3-(2-quinoxalinyl)propanamide","","CC1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3N=C2","GNHMBPXFHTXCKS-UHFFFAOYSA-N","373371",NA,"PDBC41246","649585","Present"
-"N-(2-Methylphenyl)-3-(((4-methylphenyl)sulfonyl)hydrazono)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-3-(((4-methylphenyl)sulfonyl)hydrazono)butanamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CC(=O)NC2=CC=CC=C2C","WJXIJKIQGFAWPZ-HKWRFOASSA-N","6148860",NA,"PDBC41247","641850","Present"
-"N-(2-Methylphenyl)-3-oxo-2-((E)-{4-[(2H-1,3,2-thiazaboret-2-ylamino)sulfonyl]cyclohexyl}diazenyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-3-oxo-2-[[4-(1,3,2-thiazaboret-2-ylsulfamoyl)cyclohexyl]diazenyl]butanamide","","B1(N=CS1)NS(=O)(=O)C2CCC(CC2)N=NC(C(=O)C)C(=O)NC3=CC=CC=C3C","LFZKXFUHAOGLCE-UHFFFAOYSA-N","366800",NA,"PDBC41248","635572","Present"
-"N-(2-Methylphenyl)-3-oxo-3-(2-(2-oxo-2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)ethyl)hydrazino)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]hydrazinyl]propanamide","","CC1=CC=CC=C1NC(=O)CC(=O)NNCC(=O)NC2=NN=C(S2)C3=CC=CC=C3","AXBFUQATCBRZIX-UHFFFAOYSA-N","370000",NA,"PDBC41249","642564","Present"
-"N-(2-Methylphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","CC1=CC=CC=C1NC(=O)CC(=O)N2C(CC(=N2)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6","FDSOQKMHBIZRKI-UHFFFAOYSA-N","357545",NA,"PDBC41250","617009","Present"
-"N-(2-Methylphenyl)-4-nitrobenzamide","","","","","","","","","","","","","","","","","","","","Benzamide, N-(2-methylphenyl)-4-nitro- (9CI)","","CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","QEPSIRAPSOKGGM-UHFFFAOYSA-N","98692",NA,"PDBC41251","159384","Present"
-"N-(2-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea","","","","","","","","","","","","","","","","","","","","N-(2-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea","","CC1=CC=CC=C1NC(=O)NC(C(F)(F)F)(C(F)(F)F)OC","LAQNWRSMAJHEGX-UHFFFAOYSA-N","383551",NA,"PDBC41252","671969","Present"
-"N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea","","","","","","","","","","","","","","","","","","","","UI2QGI8F4T","","CC1=CC=CC=C1NC(=S)NC2=CC=CC=N2","NWZAUKPEJKZNCA-UHFFFAOYSA-N","686648",NA,"PDBC41253","143348","Present"
-"N-(2-Methylpropyl)-2-phenylquinazolin-4-amine","","","","","","","","","","","","","","","","","","","","N4-isobutyl-2-phenyl-4-quinazolinamine isobutyl(2-phenyl...","","CC(C)CNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3","HQOYWBCXUCFOME-UHFFFAOYSA-N","719700",NA,"PDBC41254","727895","Present"
-"N-(2-Morpholin-4-ylethyl)-9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Morpholin-4-ylethyl)-9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxamide","","C1COCCN1CCNC(=O)C2=CN3C(=N2)C=CC4=C3C(=O)C5=CC=CC=C5S4","OANFPOKXGACZOV-UHFFFAOYSA-N","385055",NA,"PDBC41255","675984","Present"
-"N-(2-Naphthyl)-2-oxocyclopentanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(2-Naphthyl)-2-oxocyclopentanecarboxamide","","C1CC(C(=O)C1)C(=O)NC2=CC3=CC=CC=C3C=C2","OSFFFMWAXURKPD-UHFFFAOYSA-N","259144",NA,"PDBC41256","88795","Present"
-"N-(2-Naphthyl)-3-oxobutanamide","","","","","","","","","","","","","","","","","","","","CBMicro_010011","","CC(=O)CC(=O)NC1=CC2=CC=CC=C2C=C1","SJZXYYGWOBQVKI-UHFFFAOYSA-N","296093",NA,"PDBC41257","165883","Present"
-"N-(2-Naphthyl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-Naphthyl)methanesulfonamide","","CS(=O)(=O)NC1=CC2=CC=CC=C2C=C1","GCUBKBSOPVVMBJ-UHFFFAOYSA-N","384294",NA,"PDBC41258","673911","Present"
-"N-(2-Oxetanylmethyl)-N-tritylamine","","","","","","","","","","","","","","","","","","","","N-(2-Oxetanylmethyl)-N-tritylamine","","C1COC1CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","BUTSHKRIRGZUNO-UHFFFAOYSA-N","390243",NA,"PDBC41259","687535","Present"
-"N-(2-Oxo-1-(5-(trityloxymethyl)tetrahydro-furan-2-yl)-1,2-dihydropyrimidin-4-yl) benzamide","","","","","","","","","","","","","","","","","","","","N-(2-oxo-1-(5-(trityloxymethyl)tetrahydro-furan-2-yl)-1,...","","C1CC(OC1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6","QLBKLOJMSPQINQ-UHFFFAOYSA-N","357105",NA,"PDBC41260","614938","Present"
-"N-(2-Oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-2,2-diphenylacetamide","","","","","","","","","","","","","","","","","","","","N-(2-Oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-2,2-diphenylacetamide","","C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3C=NC4=CC=CC=C4NC3=O","LHYQKIKOSPTFDN-UHFFFAOYSA-N","367241",NA,"PDBC41261","636785","Present"
-"N-(2-Oxocyclopentyl)benzamide","","","","","","","","","","","","","","","","","","","","J3.566.573K","","C1CC(C(=O)C1)NC(=O)C2=CC=CC=C2","LKDSXOOCUUMKMB-UHFFFAOYSA-N","357960",NA,"PDBC41262","617635","Present"
-"N-(2-Phenoxy-acetyl)-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Enamine_005956","","C1=CC=C(C=C1)OCC(=O)NS(=O)(=O)C2=CC=CC=C2","AFSCGULGQRZVKD-UHFFFAOYSA-N","357770",NA,"PDBC41263","617293","Present"
-"N-(2-Phenyl-7-(trifluoromethyl)-3-((3,4,5-trimethoxybenzyl)amino)-5-quinoxalinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Phenyl-7-(trifluoromethyl)-3-((3,4,5-trimethoxybenzyl)amino)-5-quinoxalinyl)acetamide","","CC(=O)NC1=CC(=CC2=C1N=C(C(=N2)C3=CC=CC=C3)NCC4=CC(=C(C(=C4)OC)OC)OC)C(F)(F)F","BOWSLYROWDLPPJ-UHFFFAOYSA-N","369884",NA,"PDBC41264","642078","Present"
-"N-(2-Phenylethyl)-4-[[(3-phenylmethacryloyl)amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Phenylethyl)-4-[[(3-phenylmethacryloyl)amino]methyl]benzamide","","CC(=CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3","JMYBQJVKWWYLAZ-CZIZESTLSA-N","5470459",NA,"PDBC41265","702104","Present"
-"N-(2-Phenylethyl)-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Phenylethyl)-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide","","C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4","WUSMZWPYQALYTC-HMMYKYKNSA-N","5470466",NA,"PDBC41266","702112","Present"
-"N-(2-Phenylethyl)-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Phenylethyl)-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide","","C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)C4=CC=CC=C4","YNXAXPMHYONYKL-HMMYKYKNSA-N","5470463",NA,"PDBC41267","702109","Present"
-"N-(2-Phenylethyl)-4-[[[3-(2-phenylthiazole-4-yl)acryloyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(2-Phenylethyl)-4-[[[3-(2-phenylthiazole-4-yl)acryloyl]amino]methyl]benzamide","","C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CSC(=N3)C4=CC=CC=C4","YQJPNSCXSQHZSY-FOCLMDBBSA-N","5470485",NA,"PDBC41268","702131","Present"
-"N-(2-Phenylsulfanylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2AcNHPh-S-Ph","","CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2","UYBXGTHDRYRWFD-UHFFFAOYSA-N","365383",NA,"PDBC41269","632996","Present"
-"N-(2-Piperazin-1-ylethyl)-11H-indolo[3,2-c]quinolin-6-amine","","","","","","","","","","","","","","","","","","","","N-(2-Piperazin-1-ylethyl)-11H-indolo[3,2-c]quinolin-6-amine","","C1CN(CCN1)CCNC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4","NTOBLLFSZMNFMP-UHFFFAOYSA-N","24205772",NA,"PDBC41270","736607","Present"
-"N-(2-Propynyl)cysteine","","","","","","","","","","","","","","","","","","","","N-(2-Propynyl)cysteine","","C#CCNC(CS)C(=O)O","WQDUFAAEIWFXPR-UHFFFAOYSA-N","393711",NA,"PDBC41271","696224","Present"
-"N-(2-Propynyl)histidine","","","","","","","","","","","","","","","","","","","","N-(2-Propynyl)histidine","","C#CCNC(CC1=CN=CN1)C(=O)O","SVZLFLOVBBGVRX-UHFFFAOYSA-N","393258",NA,"PDBC41272","694896","Present"
-"N-(2-Pyridin-2-ylethyl)pyridin-2-amine","","","","","","","","","","","","","","","","","","","","N-(2-(2-Pyridinyl)ethyl)-2-pyridinamine","","C1=CC=NC(=C1)CCNC2=CC=CC=N2","SNTUYLQKOKQEEZ-UHFFFAOYSA-N","238326",NA,"PDBC41273","42655","Present"
-"N-(2-Pyridyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide","","","","","","","","","","","","","","","","","","","","8-Chloro-5,5-dioxo-N-pyridin-2-ylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","C1=CC=NC(=C1)NC(=O)C2=CC3=C(C=C2Cl)SC4=NC=CN4S3(=O)=O","VRLSWQCEDYQGFQ-UHFFFAOYSA-N","397026",NA,"PDBC41274","704308","Present"
-"N-(2-Pyridylmethyl)piperazine-1-ethylamine","","","","","","","","","","","","","","","","","","","","Cambridge id 5843465","","C1CN(CCN1)CCNCC2=CC=CC=N2","KRQSKMDJMSKNLA-UHFFFAOYSA-N","81406",NA,"PDBC41275","66183","Present"
-"N-(2-Quinoxalin-2-ylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Quinoxalin-2-ylphenyl)acetamide","","CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N=C2","ATPYXZAYVGPFKV-UHFFFAOYSA-N","360051",NA,"PDBC41276","621849","Present"
-"N-(2-SCoA-tetradecanoyl)glycinamide","","","","","","","","","","","","","","","","","","","","N-(2-SCoA-tetradecanoyl)glycinamide","","CCCCCCCCCCCCC(C(=O)NCC(=O)N)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O.[Na+]","RSBFHSCBERFYON-UHFFFAOYSA-N","54608767",NA,"PDBC41277","630197","Present"
-"N-(2-Sec-butyl-6-ethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Sec-butyl-6-ethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CCC1=C(C(=CC=C1)C(C)CC)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","RTYTZKFPQZDHRQ-UHFFFAOYSA-N","365373",NA,"PDBC41278","632959","Present"
-"N-(2-Sec-butyl-6-ethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Sec-butyl-6-ethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CCC1=C(C(=CC=C1)C(C)CC)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","KVDDCNDTBYRYTC-UHFFFAOYSA-N","366133",NA,"PDBC41279","634420","Present"
-"N-(2-Tert-Butyl-6-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-phenyl-5-hexenamide","","","","","","","","","","","","","","","","","","","","(Z)-N-(2-Tert-butyl-6-methylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-6-phenylhex-5-enamide","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C=CC4=CC=CC=C4","FTTKFDCSVAEVNL-ZCXUNETKSA-N","6477321",NA,"PDBC41280","644785","Present"
-"N-(2-Tert-Butyl-6-methylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Tert-Butyl-6-methylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","FKSNZQTVRAYJFA-UHFFFAOYSA-N","366114",NA,"PDBC41281","634401","Present"
-"N-(2-Tert-Butyl-6-methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Tert-Butyl-6-methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","NGHGZADNERPURJ-UHFFFAOYSA-N","360691",NA,"PDBC41282","623027","Present"
-"N-(2-Tert-Butyl-6-methylphenyl)-2-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyanoacetamide","","","","","","","","","","","","","","","","","","","","Naphthalene-1,4-dione, 2-chloro-3-[1-cyano-2-oxo-2- [[[6...","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","PKRKSUCAMNAULJ-UHFFFAOYSA-N","367604",NA,"PDBC41283","637436","Present"
-"N-(2-Tert-Butyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Tert-Butyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","PPTNRAQCNBPYMS-UHFFFAOYSA-N","366863",NA,"PDBC41284","635842","Present"
-"N-(2-Tert-Butyl-6-methylphenyl)-3-((2-methylene-4,6-dioxohexahydro-5-pyrimidinyl)methyl)-4-(2-naphthyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Tert-butyl-6-methylphenyl)-3-[(2-methylidene-4,6-dioxo-1,3-diazinan-5-yl)methyl]-4-naphthalen-2-yl-2,4-dioxobutanamide","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(CC2C(=O)NC(=C)NC2=O)C(=O)C3=CC4=CC=CC=C4C=C3","SLBUUJRUYLEZRZ-UHFFFAOYSA-N","373341",NA,"PDBC41285","649557","Present"
-"N-(2-Tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCC2=NNC(=S)O2","HKKYQFSPIDHKDH-UHFFFAOYSA-N","3004210",NA,"PDBC41286","636112","Present"
-"N-(2-Tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCC2=NC(=S)NN2","XHKIYRGTEHSTSI-UHFFFAOYSA-N","3004074",NA,"PDBC41287","625825","Present"
-"N-(2-Tert-Butyl-6-methylphenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(2-Tert-Butyl-6-methylphenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3N=C2)[N+](=O)[O-]","UQSVDDAHQADYIA-UHFFFAOYSA-N","370953",NA,"PDBC41288","644758","Present"
-"N-(2-Tert-Butyl-6-methylphenyl)-4-(4-methyl-2-(4-toluidino)-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(2-Tert-Butyl-6-methylphenyl)-4-(4-methyl-2-(4-toluidino)-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)(C)C)C)C","FTUDJWIZCGPYCT-UHFFFAOYSA-N","376630",NA,"PDBC41289","657660","Present"
-"N-(2-Tert-Butylphenyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","4MePhSO2NH-t-BuPh","","CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(C)(C)C","GUNSTMJVFNEAIB-UHFFFAOYSA-N","363139",NA,"PDBC41290","627721","Present"
-"N-(2-Tert-Butylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","PhSO2NH-t-BuPh","","CC(C)(C)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2","MLNNBGLQJAYKRO-UHFFFAOYSA-N","363140",NA,"PDBC41291","627722","Present"
-"N-(2-Tert-butyl-6-methylphenyl)-2-chloroacetamide","","","","","","","","","","","","","","","","","","","","Kecaoan","","CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCl","JYNOTRFRRIKTHZ-UHFFFAOYSA-N","359786",NA,"PDBC41292","621350","Present"
-"N-(2-Thiazolyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide","","","","","","","","","","","","","","","","","","","","8-Chloro-5,5-dioxo-N-(1,3-thiazol-2-yl)imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","C1=CN2C(=N1)SC3=C(S2(=O)=O)C=C(C(=C3)Cl)C(=O)NC4=NC=CS4","APVGKIMMMFQLHM-UHFFFAOYSA-N","397030",NA,"PDBC41293","704312","Present"
-"N-(2-Thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(2-Thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acetamide","","CC(=O)NN1C2=CC=CC=C2NC1=S","RDMBKLYCHNBUAK-UHFFFAOYSA-N","3005403",NA,"PDBC41294","697668","Present"
-"N-(2-[{6[1-(3,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl}oxy]ethyl)-ethyl]-1,3-benzodioxol-5-yl}-oxy]acetamide","","","","","","","","","","","","","","","","","","","","N-(2-[{6[1-(3,4,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxo...","","CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCNC(=O)COC4=CC5=C(C=C4C(C)C6=CC(=C(C(=C6)OC)OC)OC)OCO5)OCO3","SGJDGNOUERDNGF-UHFFFAOYSA-N","372424",NA,"PDBC41295","647526","Present"
-"N-(2-{[3-(Diethylamino)propyl]carbamoyl}-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(2-{[3-(Diethylamino)propyl]carbamoyl}-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide","","CCN(CC)CCCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]","GBAYUOUZQMUUQQ-UHFFFAOYSA-N","5244164",NA,"PDBC41296","699143","Present"
-"N-(3',3,5(1 0)-Triene-3,17b-diol","","","","","","","","","","","","","","","","","","","","N-(3',4'-Dihydroxycinnamoyl)-17a-(aminomethyl)-estra-1,3...","","CC12CCC3C(C1CCC2(CNC(=O)C=CC4=CC(=C(C=C4)O)O)O)CCC5=C3C=CC(=C5)O","PVMDSXBGJJZDOU-NWTVKOBKSA-N","24205489",NA,"PDBC41297","736043","Present"
-"N-(3',3,5(10)-Trien-17b-ol","","","","","","","","","","","","","","","","","","","","N-(3',4'-Dihydroxycinnamoyl-3-methoxy-17a-aminomethyl)-e...","","CC12CCC3C(C1CCC2(CNC(=O)C=CC4=CC(=C(C=C4)O)O)O)CCC5=C3C=CC(=C5)OC","SLGOTVZDYWJTOU-ZTCDFVCCSA-N","24205474",NA,"PDBC41298","735947","Present"
-"N-(3,4,5-Trimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,4,5-Trimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine","","COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","HHFPFOSTURBWLV-UHFFFAOYSA-N","385738",NA,"PDBC41299","677089","Present"
-"N-(3,4,5-Trimethoxybenzyl)acridin-9-amine","","","","","","","","","","","","","","","","","","","","LHMZYYJPJUUPSG-UHFFFAOYSA-N","","COC1=CC(=CC(=C1OC)OC)CNC2=C3C=CC=CC3=NC4=CC=CC=C42","LHMZYYJPJUUPSG-UHFFFAOYSA-N","383386",NA,"PDBC41300","671557","Present"
-"N-(3,4-Dichlorobenzyl)-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorobenzyl)-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine","","CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NCC3=CC(=C(C=C3)Cl)Cl","NWQSAZBYWQUMCN-UHFFFAOYSA-N","385740",NA,"PDBC41301","677091","Present"
-"N-(3,4-Dichlorophenyl)-2,4-dioxo-1-phenyl-3-pyrrolidinecarboxamide","","","","","","","","","","","","","","","","","","","","3-Pyrrolidinecarboxamide, N-(3,4-dichlorophenyl)-2,4-dio...","","C1C(=O)C(C(=O)N1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl","YRWHBNJWWWTHNR-UHFFFAOYSA-N","341959",NA,"PDBC41302","376484","Present"
-"N-(3,4-Dichlorophenyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","OAKAJDHFFQYYKP-UHFFFAOYSA-N","364953",NA,"PDBC41303","631839","Present"
-"N-(3,4-Dichlorophenyl)-3-(2-thienyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-3-(2-thienyl)-2-quinoxalinamine","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC(=C(C=C3)Cl)Cl)C4=CC=CS4","GEWGSMNVDSQSSO-UHFFFAOYSA-N","367576",NA,"PDBC41304","637409","Present"
-"N-(3,4-Dichlorophenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide","","C1=CC(=C(C=C1NC(=O)CCC2=NC(=S)NN2)Cl)Cl","WXDTZEALPYXLIP-UHFFFAOYSA-N","3004072",NA,"PDBC41305","625823","Present"
-"N-(3,4-Dichlorophenyl)-3-(6-(4-(hydroxy(oxido)amino)benzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-3-[(6Z)-6-[(4-nitrophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide","","C1=CC(=CC=C1C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]","AADOIMISQIGMMK-SXGWCWSVSA-N","5387699",NA,"PDBC41306","625830","Present"
-"N-(3,4-Dichlorophenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-3-nitro-2-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)propanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]","IJLXMTZKWYAOTD-UHFFFAOYSA-N","372881",NA,"PDBC41307","648593","Present"
-"N-(3,4-Dichlorophenyl)-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","2-Quinoxalineamine, N-(3,4-dichlorophenyl)-3-phenyl-6- t...","","C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2NC4=CC(=C(C=C4)Cl)Cl","XKGROWNDYQUOML-UHFFFAOYSA-N","367577",NA,"PDBC41308","637410","Present"
-"N-(3,4-Dichlorophenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2,4-dioxobutanamide","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl","BJEIQZSENBNLIJ-UHFFFAOYSA-N","370950",NA,"PDBC41309","644755","Present"
-"N-(3,4-Dichlorophenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2-(methylhydrazono)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(3,4-Dichlorophenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2-(methylhydrazinylidene)-4-oxobutanamide","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(=NNC)C(=O)NC5=CC(=C(C=C5)Cl)Cl","HZALSSOMBXGOSR-LAKKEJQSSA-N","9571292",NA,"PDBC41310","641431","Present"
-"N-(3,4-Dichlorophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl","OYQRUSYPABDFAO-UHFFFAOYSA-N","369253",NA,"PDBC41311","640984","Present"
-"N-(3,4-Dichlorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=O)N1)C2=CC=CC=C2O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","YUSBEJKHPKZOJC-UHFFFAOYSA-N","24203844",NA,"PDBC41312","729780","Present"
-"N-(3,4-Dichlorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","GHOBITXPHSKDFC-UHFFFAOYSA-N","24203843",NA,"PDBC41313","729779","Present"
-"N-(3,4-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","UJLGVJZLHAQVKI-UHFFFAOYSA-N","364321",NA,"PDBC41314","630337","Present"
-"N-(3,4-Dichlorophenyl)-4-[(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-4-[(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CC1=C(C(=NC(=O)N1)NN=CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl","DUOXYBJYDNDANW-KTZMUZOWSA-N","9556166",NA,"PDBC41315","666977","Present"
-"N-(3,4-Dichlorophenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide","","COC1=CC=C(C=C1)C(C(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC=C(C=C3)OC","QLLVXYCAWAGOJR-UHFFFAOYSA-N","364943",NA,"PDBC41316","631829","Present"
-"N-(3,4-Dichlorophenyl)-5-isobutyryl-4-oxononanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-5-isobutyryl-4-oxononanamide","","CCCCC(C(=O)CCC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C(C)C","UTWHOSCCYVVCED-UHFFFAOYSA-N","365046",NA,"PDBC41317","632004","Present"
-"N-(3,4-Dichlorophenyl)-6-(2-naphthyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-6-(2-naphthyl)-4,6-dioxohexanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)CCC(=O)NC3=CC(=C(C=C3)Cl)Cl","PVFGIKZMXSWZHW-UHFFFAOYSA-N","364940",NA,"PDBC41318","631826","Present"
-"N-(3,4-Dichlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide","","C1=CC(=CC=C1C(=O)CC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)F","IFIGIHGBBDXHFN-UHFFFAOYSA-N","364925",NA,"PDBC41319","631811","Present"
-"N-(3,4-Dichlorophenyl)-6-methyl-2,4-dioxo-5-heptenamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-6-methyl-2,4-dioxo-5-heptenamide","","CC(=CC(=O)CC(=O)C(=O)NC1=CC(=C(C=C1)Cl)Cl)C","IMNDSGZTCQEOTJ-UHFFFAOYSA-N","366634",NA,"PDBC41320","635309","Present"
-"N-(3,4-Dichlorophenyl)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl","VBHZRSBZWQJFFI-UHFFFAOYSA-N","24203846",NA,"PDBC41321","729782","Present"
-"N-(3,4-Dichlorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl","ORQHQFLFZFJGKY-UHFFFAOYSA-N","24203842",NA,"PDBC41322","729778","Present"
-"N-(3,4-Dichlorophenyl)-N''-{4-methyl-6-[4-(pyrrolidin-1-yl)piperidin-1-yl]pyrimidin-2-yl}guanidine--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","1-(3,4-Dichlorophenyl)-2-[4-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]guanidine;hydrochloride","","CC1=CC(=NC(=N1)N=C(N)NC2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)N4CCCC4.Cl","OABOYODITAPJHH-UHFFFAOYSA-N","54610138",NA,"PDBC41323","142537","Present"
-"N-(3,4-Dichlorophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dichlorophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","RQGKHTOCPXJEEE-UHFFFAOYSA-N","3000680",NA,"PDBC41324","644759","Present"
-"N-(3,4-Dichlorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","3',4'-Dichloroacetanilide","","CC(=O)NC1=CC(=C(C=C1)Cl)Cl","SCYGGCAQZFJGRF-UHFFFAOYSA-N","16530",NA,"PDBC41325","30069","Present"
-"N-(3,4-Dichlorophenyl)glycine","","","","","","","","","","","","","","","","","","","","STK347168","","C1=CC(=C(C=C1NCC(=O)O)Cl)Cl","BBWWOXQXCLAUKG-UHFFFAOYSA-N","351250",NA,"PDBC41326","520114","Present"
-"N-(3,4-Difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyphenylamino)qu...","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3C=C2C(=O)NC4=CC(=C(C=C4)F)F","JZHHFDXFWVIQMN-UHFFFAOYSA-N","155811609",NA,"PDBC41327","780193","Present"
-"N-(3,4-Difluorophenyl)-5,5-dimethyl-4H-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,4-Difluorophenyl)-5,5-dimethyl-4H-thiazol-2-amine","","CC1(CN=C(S1)NC2=CC(=C(C=C2)F)F)C","WFWZNZTXYSVADS-UHFFFAOYSA-N","389118",NA,"PDBC41328","684803","Present"
-"N-(3,4-Difluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,4-difluorophenyl)-6-(3-morpholinopropoxy)quinolin-2...","","C1COCCN1CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=C(C=C4)F)F","DMDMFJPBIYDEMF-UHFFFAOYSA-N","155806927",NA,"PDBC41329","783703","Present"
-"N-(3,4-Difluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,4-difluorophenyl)-6-(3-(4-methylpiperazin-1-yl)prop...","","CN1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=C(C=C4)F)F","HJLHQUFWFMJWLV-UHFFFAOYSA-N","155805445",NA,"PDBC41330","784158","Present"
-"N-(3,4-Difluorophenyl)-N-(5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-yl)-N'-phenylurea","","","","","","","","","","","","","","","","","","","","N-(3,4-Difluorophenyl)-N-(5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-yl)-N'-phenylurea","","C1C(SC(=N1)N(C2=CC(=C(C=C2)F)F)C(=O)NC3=CC=CC=C3)CI","OQGRAJCEHJNNDO-UHFFFAOYSA-N","383610",NA,"PDBC41331","672028","Present"
-"N-(3,4-Dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1,3-oxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1,3-oxazol-2-amine","","C1CSC2=CC=CC=C2C1NC3=NCCO3","YEGCWAQTPNEBHN-UHFFFAOYSA-N","379670",NA,"PDBC41332","664548","Present"
-"N-(3,4-Dihydropyrimido[2,1-a]isoindol-6(2H)-ylidene)aniline","","","","","","","","","","","","","","","","","","","","N-(3,4-Dihydropyrimido[2,1-a]isoindol-6(2H)-ylidene)aniline","","C1CN=C2C3=CC=CC=C3C(=NC4=CC=CC=C4)N2C1","NJSKMDFEJOPUFY-UHFFFAOYSA-N","365486",NA,"PDBC41333","633119","Present"
-"N-(3,4-Dihydroxystyryl)Formamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dihydroxystyryl)Formamide","","C1=CC(=C(C=C1C=CNC=O)O)O","DBIMWULYZNNEPY-ONEGZZNKSA-N","5388682",NA,"PDBC41334","638084","Present"
-"N-(3,4-Dimethoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine","","COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C4=CC=CS4)OC","WTBCDJJINDHSQZ-UHFFFAOYSA-N","367580",NA,"PDBC41335","637413","Present"
-"N-(3,4-Dimethoxybenzyl)-3-methyl-7-(trifluoromethyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethoxybenzyl)-3-methyl-7-(trifluoromethyl)-2-quinoxalinamine","","CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NCC3=CC(=C(C=C3)OC)OC","XMNMLMWPPKZDKW-UHFFFAOYSA-N","369882",NA,"PDBC41336","642076","Present"
-"N-(3,4-Dimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine","","COC1=C(C=C(C=C1)CNC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","FXIBESCKPNGQDQ-UHFFFAOYSA-N","367582",NA,"PDBC41337","637415","Present"
-"N-(3,4-Dimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine","","COC1=C(C=C(C=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","VAFKVBKCPAEJSZ-UHFFFAOYSA-N","388000",NA,"PDBC41338","682363","Present"
-"N-(3,4-Dimethoxycinnamyl)-N-methyl-N-(2-phenylethyl)amine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethoxycinnamyl)-N-methyl-N-(2-phenylethyl)amine","","CN(CCC1=CC=CC=C1)CC=CC2=CC(=C(C=C2)OC)OC","FUZHNUFZOJGOGA-JXMROGBWSA-N","5387772",NA,"PDBC41339","626952","Present"
-"N-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine","","COC1=C(C=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","RRHPVMRCWDRXGV-UHFFFAOYSA-N","364820",NA,"PDBC41340","631580","Present"
-"N-(3,4-Dimethoxyphenyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethoxyphenyl)-3-phenyl-7-(trifluoromethyl)-2-quinoxalinamine","","COC1=C(C=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","RBMZDSKTWJOOPZ-UHFFFAOYSA-N","364821",NA,"PDBC41341","631581","Present"
-"N-(3,4-Dimethoxyphenyl)-3-thiophen-2-ylquinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethoxyphenyl)-3-thiophen-2-ylquinoxalin-2-amine","","COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4)OC","FUBWRZWRIHSYTF-UHFFFAOYSA-N","379473",NA,"PDBC41342","664027","Present"
-"N-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-amine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-amine","","COC1=C(C=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4)OC","PVVPSMDBFXIADX-UHFFFAOYSA-N","400210",NA,"PDBC41343","711728","Present"
-"N-(3,4-Dimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine","","COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4)OC","KSEPMMWCTARMLW-UHFFFAOYSA-N","400206",NA,"PDBC41344","711724","Present"
-"N-(3,4-Dimethylphenyl)-2,4-dioxo-4-phenylbutanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-2,4-dioxo-4-phenylbutanamide","","CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC=CC=C2)C","YMANLNWAROTDNQ-UHFFFAOYSA-N","366964",NA,"PDBC41345","636126","Present"
-"N-(3,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C","TYKMYTNMJZZHHO-UHFFFAOYSA-N","366126",NA,"PDBC41346","634413","Present"
-"N-(3,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O)C","AVEZFKOVNPWMRE-UHFFFAOYSA-N","366119",NA,"PDBC41347","634406","Present"
-"N-(3,4-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","CC1=C(C=C(C=C1)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N)C","GMQWBTLZRPUVPZ-UHFFFAOYSA-N","360356",NA,"PDBC41348","622414","Present"
-"N-(3,4-Dimethylphenyl)-2-carbamoylthioacetamide","","","","","","","","","","","","","","","","","","","","CBMicro_045947","","CC1=C(C=C(C=C1)NC(=O)CSC(=O)N)C","ANOGWOBXOCFAEU-UHFFFAOYSA-N","224674",NA,"PDBC41349","13354","Present"
-"N-(3,4-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","CC1=C(C=C(C=C1)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)C","GGCGGTFQEQKTIA-UHFFFAOYSA-N","371841",NA,"PDBC41350","646359","Present"
-"N-(3,4-Dimethylphenyl)-3-(1-oxidopyridin-1-ium-2-yl)-2-oxo-propanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-3-(1-oxidopyridin-1-ium-2-yl)-2-oxo-propanamide","","CC1=C(C=C(C=C1)NC(=O)C(=O)CC2=CC=CC=[N+]2[O-])C","RPINTFYAOOTVOZ-UHFFFAOYSA-N","495243",NA,"PDBC41351","646354","Present"
-"N-(3,4-Dimethylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-(methylhydrazono)propanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-(methylhydrazono)propanamide","","CC1=C(C=C(C=C1)NC(=O)C(=NNC)CC2=C(C(=O)C=CO2)O)C","PTOCXYBVBKGVTA-MOSHPQCFSA-N","5899357",NA,"PDBC41352","641439","Present"
-"N-(3,4-Dimethylphenyl)-3-(diphenylhydrazono)butanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-3-(diphenylhydrazono)butanamide","","CC1=C(C=C(C=C1)NC(=O)CC(=NN(C2=CC=CC=C2)C3=CC=CC=C3)C)C","BMWJCSPCYXSCLC-LHLOQNFPSA-N","9571308",NA,"PDBC41353","641871","Present"
-"N-(3,4-Dimethylphenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide","","CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2CC(=O)CCC2=O)C","LQXRUCLQFCCPQP-UHFFFAOYSA-N","364936",NA,"PDBC41354","631822","Present"
-"N-(3,4-Dimethylphenyl)-4-(2-((3-hydroxy-2-naphthoyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-4-(2-((3-hydroxy-2-naphthoyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide","","CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2CC(=O)CCC2=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C","DWOPCJAXIGCQEV-QCKNELIISA-N","9569938",NA,"PDBC41355","625894","Present"
-"N-(3,4-Dimethylphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide","","CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C)C","GLHGAGACPFMCPL-UHFFFAOYSA-N","364334",NA,"PDBC41356","630349","Present"
-"N-(3,4-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C)C","IDKWPRGMTUJTHN-UHFFFAOYSA-N","366965",NA,"PDBC41357","636127","Present"
-"N-(3,4-Dimethylphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","CC1=C(C=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4)C","RFGJFIQFIVPWEU-UHFFFAOYSA-N","369466",NA,"PDBC41358","641236","Present"
-"N-(3,4-Dimethylphenyl)-4-oxo-4-(1-oxo-2,3-dihydro-1H-inden-2-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-4-oxo-4-(1-oxo-2,3-dihydro-1H-inden-2-yl)butanamide","","CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2CC3=CC=CC=C3C2=O)C","JUVJLKVKKSCINI-UHFFFAOYSA-N","364264",NA,"PDBC41359","630281","Present"
-"N-(3,4-Dimethylphenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide","","CC1=C(C=C(C=C1)NC(=O)CCC(=O)C(C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC)C","JLUZYOAHEFUSSK-UHFFFAOYSA-N","364933",NA,"PDBC41360","631819","Present"
-"N-(3,4-Dimethylphenyl)-6-methyl-2,4-dioxohept-5-enamide","","","","","","","","","","","","","","","","","","","","N-(3,4-Dimethylphenyl)-6-methyl-2,4-dioxohept-5-enamide","","CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C=C(C)C)C","WYVIJOOARWFZMR-UHFFFAOYSA-N","359174",NA,"PDBC41361","619854","Present"
-"N-(3,4-Dimethylphenyl)-Nalpha-(phenoxycarbonyl)tryptophanamide","","","","","","","","","","","","","","","","","","","","ChemDiv1_017738","","CC1=C(C=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC4=CC=CC=C4)C","PXVVFJKQJLSRKM-UHFFFAOYSA-N","402974",NA,"PDBC41362","717447","Present"
-"N-(3,5-Bis(trifluoromethyl)phenyl)-4-(3-pyridinyl)pyrrolo[1,2-a]quinoxaline-5(4H)-carbothioamide","","","","","","","","","","","","","","","","","","","","Pyrrolo[1,2-a]quinoxaline-5(4H)-carbothioamide, N-[3,5-b...","","C1=CC=C2C(=C1)N3C=CC=C3C(N2C(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CN=CC=C5","PAZLDCLXTQATBO-UHFFFAOYSA-N","5108890",NA,"PDBC41363","309881","Present"
-"N-(3,5-Dibenzhydryl-2-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dibenzhydryl-2-methylphenyl)acetamide","","CC1=C(C=C(C=C1NC(=O)C)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5","UCUKAMKBWQGRMY-UHFFFAOYSA-N","345248",NA,"PDBC41364","402717","Present"
-"N-(3,5-Dichloro-2-hydroxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","2-Acetamido-4,6-dichlorophenol","","CC(=O)NC1=C(C(=CC(=C1)Cl)Cl)O","LLEDDIDLLAPZNE-UHFFFAOYSA-N","377212",NA,"PDBC41365","658448","Present"
-"N-(3,5-Dichloro-4-iodophenyl)-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dichloro-4-iodophenyl)-2,2,2-trifluoroacetamide","","C1=C(C=C(C(=C1Cl)I)Cl)NC(=O)C(F)(F)F","FZJBUMCKTANPNR-UHFFFAOYSA-N","284558",NA,"PDBC41366","140395","Present"
-"N-(3,5-Dichlorobenzoyl)-N,4-diphenylpiperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dichlorobenzoyl)-N,4-diphenylpiperazine-1-carboxamide","","C1CN(CCN1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)Cl)Cl","LAUGAEVNYFIMPB-UHFFFAOYSA-N","401354",NA,"PDBC41367","714666","Present"
-"N-(3,5-Dichlorophenyl)-3,7-dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dichlorophenyl)-3,7-dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide","","CC1=C(C2=NN=C(N2C(=O)N1)C)C(=O)NC3=CC(=CC(=C3)Cl)Cl","XSRIRSKOYASZMJ-UHFFFAOYSA-N","135416664",NA,"PDBC41368","624944","Present"
-"N-(3,5-Dichlorophenyl)-3-(2-thienyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","N-(3,5-Dichlorophenyl)-3-(2-thienyl)-2-quinoxalinamine","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC(=CC(=C3)Cl)Cl)C4=CC=CS4","CSDYWGJYKXYELR-UHFFFAOYSA-N","367574",NA,"PDBC41369","637407","Present"
-"N-(3,5-Dichlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-2-(isonicotinoylhydrazono)propanamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dichlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-2-(isonicotinoylhydrazono)propanamide","","C1=CC=C2C(=C1)NC(=O)C(=N2)CC(=NNC(=O)C3=CC=NC=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl","QUVWDVJCYZGEHK-TWKHWXDSSA-N","9574301",NA,"PDBC41370","646372","Present"
-"N-(3,5-Dichlorophenyl)-5-(3-morpholin-4-ylpropoxy)quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,5-dichlorophenyl)-5-(3-morpholinopropoxy)quinolin-2...","","C1COCCN1CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=CC(=C4)Cl)Cl","LUOKMXSICJPBHU-UHFFFAOYSA-N","155812100",NA,"PDBC41371","781642","Present"
-"N-(3,5-Dichlorophenyl)-5-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,5-dichlorophenyl)-5-(3-(4-methylpiperazin-1-yl)prop...","","CN1CCN(CC1)CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=CC(=C4)Cl)Cl","ODKDLBVISGJCJS-UHFFFAOYSA-N","155805383",NA,"PDBC41372","781646","Present"
-"N-(3,5-Dichlorophenyl)-6-(3-morpholin-4-ylpropoxy)quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,5-dichlorophenyl)-6-(3-morpholinopropoxy)quinolin-2...","","C1COCCN1CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=CC(=C4)Cl)Cl","PKZGVVYHTDQDOZ-UHFFFAOYSA-N","155810638",NA,"PDBC41373","784159","Present"
-"N-(3,5-Dichlorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3,5-dichlorophenyl)-6-(3-(4-methylpiperazin-1-yl)prop...","","CN1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=CC(=C4)Cl)Cl","QQKWOQOEIUOZDZ-UHFFFAOYSA-N","155813636",NA,"PDBC41374","783704","Present"
-"N-(3,5-Dicyano-2,4-bis(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-2,4-bis(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=C(C=C3)C)NS(=O)(=O)C4=CC=CC=C4)C#N","VVRKXKGWVTVUGW-UHFFFAOYSA-N","390301",NA,"PDBC41375","687593","Present"
-"N-(3,5-Dicyano-2-(4-methylphenyl)-6-oxo-4-phenyl-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-2-(4-methylphenyl)-6-oxo-4-phenyl-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=CC=C4)C#N","BAKUCNVIGSNBGL-UHFFFAOYSA-N","390286",NA,"PDBC41376","687578","Present"
-"N-(3,5-Dicyano-2-hydroxy-4-(4-(hydroxy(oxido)amino)phenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3,5-Dicyano-2-hydroxy-4-(4-nitrophenyl)-6-oxo-1-pyridyl]-4-methyl-benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)O","BSYFZGDIRGEGPL-UHFFFAOYSA-N","390294",NA,"PDBC41377","687586","Present"
-"N-(3,5-Dicyano-2-hydroxy-4-(4-(hydroxy(oxido)amino)phenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-2-hydroxy-4-(4-(hydroxy(oxido)amino)phenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)O","QLTDCWRKCNVDTI-UHFFFAOYSA-N","390272",NA,"PDBC41378","687564","Present"
-"N-(3,5-Dicyano-2-hydroxy-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-2-hydroxy-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)O)NS(=O)(=O)C3=CC=CC=C3)C#N","PWZGPJHLSBUICT-UHFFFAOYSA-N","390295",NA,"PDBC41379","687587","Present"
-"N-(3,5-Dicyano-2-hydroxy-6-oxo-4-phenyl-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-2-hydroxy-6-oxo-4-phenyl-1(6H)-pyridinyl)benzenesulfonamide","","C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)O)NS(=O)(=O)C3=CC=CC=C3)C#N","NIPKSNCJCLBEBO-UHFFFAOYSA-N","390291",NA,"PDBC41380","687583","Present"
-"N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)S","XZZUYHFRTCQQOT-UHFFFAOYSA-N","390270",NA,"PDBC41381","687562","Present"
-"N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","COC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)NS(=O)(=O)C3=CC=CC=C3)C#N","CQUJLZAXZJSVEU-UHFFFAOYSA-N","390271",NA,"PDBC41382","687563","Present"
-"N-(3,5-Dicyano-2-mercapto-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-2-mercapto-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)NS(=O)(=O)C3=CC=C(C=C3)C)C#N","GWQZGYKFYREBON-UHFFFAOYSA-N","390267",NA,"PDBC41383","687559","Present"
-"N-(3,5-Dicyano-2-mercapto-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-2-mercapto-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)NS(=O)(=O)C3=CC=CC=C3)C#N","JVDZJBPDKXEMNZ-UHFFFAOYSA-N","390266",NA,"PDBC41384","687558","Present"
-"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3,5-Dicyano-4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-6-oxopyridin-1-yl]benzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)N(C)C)C#N","XLMQXESQFXLUBW-UHFFFAOYSA-N","390302",NA,"PDBC41385","687594","Present"
-"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-hydroxy-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3,5-Dicyano-4-[4-(dimethylamino)phenyl]-2-hydroxy-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)N(C)C)C#N)O","SSMNUCUIXGOSNL-UHFFFAOYSA-N","390293",NA,"PDBC41386","687585","Present"
-"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-hydroxy-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-hydroxy-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","CN(C)C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)O)NS(=O)(=O)C3=CC=CC=C3)C#N","OJCAFBUATRCALU-UHFFFAOYSA-N","390292",NA,"PDBC41387","687584","Present"
-"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3,5-Dicyano-4-(4-dimethylaminophenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)N(C)C)C#N)S","QCJVYOJMWWGDQD-UHFFFAOYSA-N","390269",NA,"PDBC41388","687561","Present"
-"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","CN(C)C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)NS(=O)(=O)C3=CC=CC=C3)C#N","ADKDVHQLXMRWCY-UHFFFAOYSA-N","390268",NA,"PDBC41389","687560","Present"
-"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide","","CN(C)C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C#N","LWGGOPGKICHKAQ-UHFFFAOYSA-N","390283",NA,"PDBC41390","687575","Present"
-"N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3,5-Dicyano-2-(4-methylphenyl)-4-(4-nitrophenyl)-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N","XWVNFSYHGAUHLL-UHFFFAOYSA-N","390298",NA,"PDBC41391","687590","Present"
-"N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3,5-Dicyano-4-(4-nitrophenyl)-2-oxo-6-(p-tolyl)-1-pyridyl]benzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N","MWYJZFQFYLWEFG-UHFFFAOYSA-N","390297",NA,"PDBC41392","687589","Present"
-"N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3,5-Dicyano-4-(4-nitrophenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)S","MBZSUORCBILDHX-UHFFFAOYSA-N","390274",NA,"PDBC41393","687566","Present"
-"N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)S","SGJZJBFYTAJGKR-UHFFFAOYSA-N","390273",NA,"PDBC41394","687565","Present"
-"N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3,5-Dicyano-4-(4-nitrophenyl)-2-oxo-6-phenylpyridin-1-yl]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4","RDFKVITWWQRLSQ-UHFFFAOYSA-N","390278",NA,"PDBC41395","687570","Present"
-"N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide","","C1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N","BYRVWCIUNTZABV-UHFFFAOYSA-N","390277",NA,"PDBC41396","687569","Present"
-"N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3,5-Dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=C(C=C4)OC)C#N","PQGVEWHCSXFGNX-UHFFFAOYSA-N","390300",NA,"PDBC41397","687592","Present"
-"N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)OC)C#N","DZIYMUFCGHFCAI-UHFFFAOYSA-N","390299",NA,"PDBC41398","687591","Present"
-"N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide","","COC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C#N","JZQSHLYVQKSOGS-UHFFFAOYSA-N","390279",NA,"PDBC41399","687571","Present"
-"N-(3,5-Dicyano-4-(4-methylphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-4-(4-methylphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C#N","AOQZEEKIFAHHKW-UHFFFAOYSA-N","390282",NA,"PDBC41400","687574","Present"
-"N-(3,5-Dicyano-4-(4-methylphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dicyano-4-(4-methylphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C#N","LZPPSUXCFLHKPC-UHFFFAOYSA-N","390281",NA,"PDBC41401","687573","Present"
-"N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide","","CCOC1=CC=C(C=C1)NC(=O)C(=O)NN2C(=NN=C2N)N","KQCFNGBFGGHCHV-UHFFFAOYSA-N","372935",NA,"PDBC41402","648647","Present"
-"N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-nitrophenyl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-nitrophenyl)ethanediamide","","C1=CC(=CC=C1NC(=O)C(=O)NN2C(=NN=C2N)N)[N+](=O)[O-]","XPVWWKWSWSNNOB-UHFFFAOYSA-N","3281440",NA,"PDBC41403","644769","Present"
-"N-(3,5-Dimethoxybenzyl)-4-methoxyaniline","","","","","","","","","","","","","","","","","","","","N-(3,5-Dimethoxybenzyl)-4-methoxyaniline","","COC1=CC=C(C=C1)NCC2=CC(=CC(=C2)OC)OC","QKPUNSNLZPVYMM-UHFFFAOYSA-N","364713",NA,"PDBC41404","631371","Present"
-"N-(3,5-Dimethoxyphenyl)-6,7-difluoro-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","N-(3,5-Dimethoxyphenyl)-6,7-difluoro-2-quinoxalinamine","","COC1=CC(=CC(=C1)NC2=NC3=CC(=C(C=C3N=C2)F)F)OC","SFYQMEWZGRRWLL-UHFFFAOYSA-N","394495",NA,"PDBC41405","698040","Present"
-"N-(3,5-Dimethylphenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3,5-Dimethylphenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-4-oxobutanamide","","CC1=CC(=CC(=C1)NC(=O)CCC(=O)C2CCCC2=NNC(=O)C(=O)NN)C","QIDUHOSJLWZZER-HZHRSRAPSA-N","6373567",NA,"PDBC41406","632027","Present"
-"N-(3,5-Ditert-butyl-1,2-diethyl-4-aza-1,2-diazonia-3,5-diboranuidacyclopenta-2,5-dien-4-yl)-2,2-dimethyl-propan-1-imine","","","","","","","","","","","","","","","","","","","","(E)-N-(3,5-Ditert-butyl-1,2-diethyl-4-aza-1,2-diazonia-3,5-diboranuidacyclopenta-2,5-dien-4-yl)-2,2-dimethylpropan-1-imine","","[B-]1(=[N+]([N+](=[B-](N1N=CC(C)(C)C)C(C)(C)C)CC)CC)C(C)(C)C","RZJRGSAHLBDOJZ-XSFVSMFZSA-N","9571474",NA,"PDBC41407","669969","Present"
-"N-(3,5-Ditert-butyl-1,2-diethyl-4-aza-1,2-diazonia-3,5-diboranuidacyclopenta-2,5-dien-4-yl)-3,3-dimethyl-butan-2-imine","","","","","","","","","","","","","","","","","","","","(E)-N-(3,5-Ditert-butyl-1,2-diethyl-4-aza-1,2-diazonia-3,5-diboranuidacyclopenta-2,5-dien-4-yl)-3,3-dimethylbutan-2-imine","","[B-]1(=[N+]([N+](=[B-](N1N=C(C)C(C)(C)C)C(C)(C)C)CC)CC)C(C)(C)C","OQXXDESMURDJMQ-RCCKNPSSSA-N","9571473",NA,"PDBC41408","669968","Present"
-"N-(3,6-Dicyano-5-(((4-methylphenyl)sulfonyl)amino)-1,4-dihydro-2-pyrazinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-(Benzenesulfonyl)-2,5-dicyano-imidazol-4-yl]benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=C(N2S(=O)(=O)C3=CC=CC=C3)C#N)C#N","NWDUSWKCEYLGNQ-UHFFFAOYSA-N","385946",NA,"PDBC41409","677418","Present"
-"N-(3,6-Dimethyl-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(3,6-Dimethyl-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride","","CC1=C(C2=C(C(=CN=C2C=C1)C)NCCCN(C)C)[N+](=O)[O-].Cl","HZUFVXYJPGOLJL-UHFFFAOYSA-N","368358",NA,"PDBC41410","639214","Present"
-"N-(3,8-Dimethyl-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(3,8-Dimethyl-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride","","CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=C(C=N2)C)NCCCN(C)C.Cl","KTZPNKSSVXFRJM-UHFFFAOYSA-N","368356",NA,"PDBC41411","639213","Present"
-"N-(3-((2,5-Dimethylbenzyl)oxy)-4-(N-methylmethylsulfonamido)phenyl)-2,3-dihydro-1H-indene-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-((2,5-dimethylbenzyl)oxy)-4-(N-methylmethylsulfonam...","","CC1=CC(=C(C=C1)C)COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N(C)S(=O)(=O)C","NNVDIXHOVATNMH-UHFFFAOYSA-N","56967399",NA,"PDBC41412","751382","Present"
-"N-(3-((2-((2,3-Bis(benzyloxy)benzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(3-((2-((2,3-Bis(benzyloxy)benzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide","","C1=CC=C(C=C1)COC2=CC=CC(=C2OCC3=CC=CC=C3)C(=O)NCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","UCNZXNUTUSYGOE-UHFFFAOYSA-N","384125",NA,"PDBC41413","673413","Present"
-"N-(3-((2-((2,3-Dihydroxybenzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(3-((2-((2,3-Dihydroxybenzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCNC(=O)C4=C(C(=CC=C4)O)O","UNLNFLGMEOHGGY-UHFFFAOYSA-N","384131",NA,"PDBC41414","673418","Present"
-"N-(3-((2-((3-Aminopropyl)thio)ethyl)thio)propyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-((2-((3-Aminopropyl)thio)ethyl)thio)propyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NCCCSCCSCCCN","BFODBZOTFXPUDX-UHFFFAOYSA-N","373725",NA,"PDBC41415","650627","Present"
-"N-(3-((2-((6-Chloro-2-methoxy-9-acridinyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(3-((2-((6-Chloro-2-methoxy-9-acridinyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","GEJSTEAMNUHCIV-UHFFFAOYSA-N","384130",NA,"PDBC41416","673417","Present"
-"N-(3-((2-(5-(Hydroxy(oxido)amino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[3-[2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl]-2-phenylquinoline-4-carboxamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-]","QEPSPBLUFYZVAY-UHFFFAOYSA-N","384127",NA,"PDBC41417","673415","Present"
-"N-(3-((2-Aminoethyl)thio)propyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-((2-Aminoethyl)thio)propyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NCCCSCCN","PYOJZWAJQZSOND-UHFFFAOYSA-N","373726",NA,"PDBC41418","650628","Present"
-"N-(3-((2-Hydroxyethyl)thio)propyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-((2-Hydroxyethyl)thio)propyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NCCCSCCO","ZREWCHAEOQSGCJ-UHFFFAOYSA-N","373727",NA,"PDBC41419","650629","Present"
-"N-(3-((3,4-Bis(4-methoxyphenyl)-2,4-dioxobutanoyl)amino)propyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-[3-[[3,4-Bis(4-methoxyphenyl)-2,4-dioxobutanoyl]amino]propyl]-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NCCCNC(=O)C(=O)C(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC","QUOYKYHRKCLOKO-UHFFFAOYSA-N","360657",NA,"PDBC41420","622975","Present"
-"N-(3-((3,4-Dimethoxybenzyl)amino)-2-phenyl-7-(trifluoromethyl)-5-quinoxalinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-((3,4-Dimethoxybenzyl)amino)-2-phenyl-7-(trifluoromethyl)-5-quinoxalinyl)acetamide","","CC(=O)NC1=CC(=CC2=C1N=C(C(=N2)C3=CC=CC=C3)NCC4=CC(=C(C=C4)OC)OC)C(F)(F)F","AMZRLSFFKGEKRW-UHFFFAOYSA-N","369881",NA,"PDBC41421","642075","Present"
-"N-(3-(1-Aziridinyl)propyl)-1,4-butanediamine","","","","","","","","","","","","","","","","","","","","N-(3-Aziridinylpropyl)-1,4-diaminobutane","","C1CN1CCCNCCCCN","CNOIPHKAPXDRCC-UHFFFAOYSA-N","160394",NA,"PDBC41422","658396","Present"
-"N-(3-(1-Methyl-3H-benzimidazol-3-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-(1-Methyl-3H-benzimidazol-3-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide","","C[N+]1=CN(C2=CC=CC=C21)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=CC=C5)[O-]","JFHCYKQDKJZBPW-UHFFFAOYSA-N","9571591",NA,"PDBC41423","685891","Present"
-"N-(3-(1-Methyl-3H-benzimidazol-3-yl)-2-quinoxalinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Benzenesulfonyl-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide","","C[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=CC=C5","NORQNKRMGYRMSM-UHFFFAOYSA-N","389588",NA,"PDBC41424","685892","Present"
-"N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC2C(C(=O)C3=CC=CC=C3C2=O)N4C=NC5=CC=CC=C54","YZMFREUHIKGBFH-UHFFFAOYSA-N","389579",NA,"PDBC41425","685884","Present"
-"N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=NC5=CC=CC=C54","ZOVRMNJPPKPBEM-UHFFFAOYSA-N","389585",NA,"PDBC41426","685890","Present"
-"N-(3-(1H-Imidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-(1H-Imidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC2C(C(=O)C3=CC=CC=C3C2=O)N4C=CN=C4","YBRWLBVYGATHBO-UHFFFAOYSA-N","389578",NA,"PDBC41427","685883","Present"
-"N-(3-(2,4-Diethyl-3-((3-(3-methyl-2-quinoxalinyl)-2-oxopropanoyl)amino)benzyl)-2,6-diethylphenyl)-3-(3-methyl-2-quinoxalinyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-[3-[[2,4-Diethyl-3-[[3-(3-methylquinoxalin-2-yl)-2-oxopropanoyl]amino]phenyl]methyl]-2,6-diethylphenyl]-3-(3-methylquinoxalin-2-yl)-2-oxopropanamide","","CCC1=C(C(=C(C=C1)CC2=C(C(=C(C=C2)CC)NC(=O)C(=O)CC3=NC4=CC=CC=C4N=C3C)CC)CC)NC(=O)C(=O)CC5=NC6=CC=CC=C6N=C5C","CDFXIWZFKASQKK-UHFFFAOYSA-N","371854",NA,"PDBC41428","646374","Present"
-"N-(3-(2,4-Diethyl-3-((oxo(5-oxo-2-thioxo-4-imidazolidinyl)acetyl)amino)benzyl)-2,6-diethylphenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[3-[[2,4-Diethyl-3-[[2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]phenyl]methyl]-2,6-diethylphenyl]-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide","","CCC1=C(C(=C(C=C1)CC2=C(C(=C(C=C2)CC)NC(=O)C(=O)C3C(=O)NC(=S)N3)CC)CC)NC(=O)C(=O)C4C(=O)NC(=S)N4","JLUONRVVXLJHMI-UHFFFAOYSA-N","3004337",NA,"PDBC41429","646378","Present"
-"N-(3-(2,4-Diisopropyl-3-((2-oxo-3-(2-quinoxalinyl)propanoyl)amino)benzyl)-2,6-diisopropylphenyl)-2-oxo-3-(2-quinoxalinyl)propanamide","","","","","","","","","","","","","","","","","","","","2-Oxo-N-[3-[[3-[(2-oxo-3-quinoxalin-2-ylpropanoyl)amino]-2,4-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-3-quinoxalin-2-ylpropanamide","","CC(C)C1=C(C(=C(C=C1)CC2=C(C(=C(C=C2)C(C)C)NC(=O)C(=O)CC3=NC4=CC=CC=C4N=C3)C(C)C)C(C)C)NC(=O)C(=O)CC5=NC6=CC=CC=C6N=C5","RQAGFCFZEXMECN-UHFFFAOYSA-N","371853",NA,"PDBC41430","646373","Present"
-"N-(3-(2,6-Dimethyl-4-morpholinyl)-1H-isoindol-1-ylidene)-4-methylaniline","","","","","","","","","","","","","","","","","","","","N-(3-(2,6-Dimethyl-4-morpholinyl)-1H-isoindol-1-ylidene)-4-methylaniline","","CC1CN(CC(O1)C)C2=NC(=NC3=CC=C(C=C3)C)C4=CC=CC=C42","XTZJXSTUONMORK-UHFFFAOYSA-N","365485",NA,"PDBC41431","633118","Present"
-"N-(3-(2,8-Dimethoxy-5,6-dihydro-11H-benzo[a]carbazol-11-yl)propyl)-N,N-dimethylamine","","","","","","","","","","","","","","","","","","","","N-(3-(2,8-Dimethoxy-5,6-dihydro-11H-benzo[a]carbazol-11-yl)propyl)-N,N-dimethylamine","","CN(C)CCCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(CC3)C=CC(=C4)OC","NFJWAQHSGKOOSZ-UHFFFAOYSA-N","390903",NA,"PDBC41432","689078","Present"
-"N-(3-(2-Chlorophenyl)-5-oxo-4-pyrazolidinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(3-(2-Chlorophenyl)-5-oxo-4-pyrazolidinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC2C(NNC2=O)C3=CC=CC=C3Cl","GDBBETJGUUPPOP-UHFFFAOYSA-N","365340",NA,"PDBC41433","632931","Present"
-"N-(3-(3,4-Dihydroxyphenyl)acryloyl)serine","","","","","","","","","","","","","","","","","","","","N-(3-(3,4-Dihydroxyphenyl)acryloyl)serine","","C1=CC(=C(C=C1C=CC(=O)NC(CO)C(=O)O)O)O","WSMMQUUETYVJPH-DUXPYHPUSA-N","5470543",NA,"PDBC41434","702986","Present"
-"N-(3-(3,4-Dimethoxyphenyl)propyl)-2-(2-(hydroxymethyl)-4,5-dimethoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-(3,4-Dimethoxyphenyl)propyl)-2-(2-(hydroxymethyl)-4,5-dimethoxyphenyl)acetamide","","COC1=C(C=C(C=C1)CCCNC(=O)CC2=CC(=C(C=C2CO)OC)OC)OC","NKSMUVOQEMJTRB-UHFFFAOYSA-N","390034",NA,"PDBC41435","686948","Present"
-"N-(3-(3,4-Dimethoxyphenyl)propyl)-2-(2-hydroxyethyl)-4,5-dimethoxybenzamide","","","","","","","","","","","","","","","","","","","","N-(3-(3,4-Dimethoxyphenyl)propyl)-2-(2-hydroxyethyl)-4,5-dimethoxybenzamide","","COC1=C(C=C(C=C1)CCCNC(=O)C2=CC(=C(C=C2CCO)OC)OC)OC","WLGYBIHMOLQPMB-UHFFFAOYSA-N","390015",NA,"PDBC41436","686935","Present"
-"N-(3-(3-(Benzoylamino)benzyl)phenyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(3-(3-(Benzoylamino)benzyl)phenyl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4","RBXOFMVKHHBLOJ-UHFFFAOYSA-N","365311",NA,"PDBC41437","632899","Present"
-"N-(3-(3-(Hydroxy(oxido)amino)phenyl)-5-oxo-4-pyrazolidinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(3-(3-(Hydroxy(oxido)amino)phenyl)-5-oxo-4-pyrazolidinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC2C(NNC2=O)C3=CC(=CC=C3)[N+](=O)[O-]","ALWSDUMBUGJGDX-UHFFFAOYSA-N","365339",NA,"PDBC41438","632930","Present"
-"N-(3-(4-(3-((2-Quinoxalinylcarbonyl)amino)propyl)-1-piperazinyl)propyl)-2-quinoxalinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[3-[4-[3-(Quinoxaline-2-carbonylamino)propyl]piperazin-1-yl]propyl]quinoxaline-2-carboxamide","","C1CN(CCN1CCCNC(=O)C2=NC3=CC=CC=C3N=C2)CCCNC(=O)C4=NC5=CC=CC=C5N=C4","SYQWLYWZRUUPLB-UHFFFAOYSA-N","364905",NA,"PDBC41439","631733","Present"
-"N-(3-(4-Benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-4-morpholino-3-(trifluoromethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-[3-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]...","","C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6)C(F)(F)F","FDCXXPBBHPICRU-UHFFFAOYSA-N","46890251",NA,"PDBC41440","752893","Present"
-"N-(3-(4-Chlorophenyl)-4-((4-methylphenyl)imino)-2-(2-(4-morpholinyl)-2-cyclopenten-1-ylidene)-1,3-thiazolidin-5-ylidene)-4-methylaniline","","","","","","","","","","","","","","","","","","","","(2Z)-3-(4-Chlorophenyl)-4-N,5-N-bis(4-methylphenyl)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-1,3-thiazolidine-4,5-diimine","","CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)SC(=C4CCC=C4N5CCOCC5)N2C6=CC=C(C=C6)Cl","KUWVNWVEBBAUQM-TTXBECKSSA-N","3005096",NA,"PDBC41441","671371","Present"
-"N-(3-(4-Methoxybenzylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-(4-Methoxybenzylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide","","CC(=O)NN1C2=CC=CC=C2C(=CC3=CC=C(C=C3)OC)C1=O","QYPHIBOVHCVFSL-WJDWOHSUSA-N","5388857",NA,"PDBC41442","639690","Present"
-"N-(3-(Acetyl(4-((trifluoroacetyl)amino)butyl)amino)propyl)-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-(3-(Acetyl(4-((trifluoroacetyl)amino)butyl)amino)propyl)-2,2,2-trifluoroacetamide","","CC(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","GPDRZOPPXBMZJC-UHFFFAOYSA-N","389620",NA,"PDBC41443","685966","Present"
-"N-(3-(Acetylamino)-2-methoxy-5-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-(Acetylamino)-2-methoxy-5-methylphenyl)acetamide","","CC1=CC(=C(C(=C1)NC(=O)C)OC)NC(=O)C","AFAAUNOSOBLMIU-UHFFFAOYSA-N","361751",NA,"PDBC41444","625017","Present"
-"N-(3-(Benzoylamino)-2-(hydroxy(oxido)amino)-2-methylpropyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(3-(Benzoylamino)-2-(hydroxy(oxido)amino)-2-methylpropyl)benzamide","","CC(CNC(=O)C1=CC=CC=C1)(CNC(=O)C2=CC=CC=C2)[N+](=O)[O-]","NQEXFOOJALTUQI-UHFFFAOYSA-N","387109",NA,"PDBC41445","680505","Present"
-"N-(3-(Benzyl(4-((trifluoroacetyl)amino)butyl)amino)propyl)-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-(3-(Benzyl(4-((trifluoroacetyl)amino)butyl)amino)propyl)-2,2,2-trifluoroacetamide","","C1=CC=C(C=C1)CN(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","ZACILCKCVNLYDB-UHFFFAOYSA-N","389621",NA,"PDBC41446","685967","Present"
-"N-(3-(Benzyl(4-(benzyl(3-((trifluoroacetyl)amino)propyl)amino)butyl)amino)propyl)-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-[3-[Benzyl-[4-[benzyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]-2,2,2-trifluoroacetamide","","C1=CC=C(C=C1)CN(CCCCN(CCCNC(=O)C(F)(F)F)CC2=CC=CC=C2)CCCNC(=O)C(F)(F)F","UKFOLUNVLQWPHJ-UHFFFAOYSA-N","389630",NA,"PDBC41447","685975","Present"
-"N-(3-(Chloromethyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indol-6-yl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-(Chloromethyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indol-6-yl)methanesulfonamide","","CS(=O)(=O)NC1=CC2=C(C=C1)C(CN2S(=O)(=O)C)CCl","PVJOSQQNCACPKU-UHFFFAOYSA-N","384837",NA,"PDBC41448","675355","Present"
-"N-(3-(Dibenzylamino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-(Dibenzylamino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CC=C5","RSGMVFUNSCLZDM-UHFFFAOYSA-N","389580",NA,"PDBC41449","685885","Present"
-"N-(3-(Dimethylamino)propyl)-2-((3-nitrophenyl)methylene)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(3-(Dimethylamino)propyl)-2-((3-nitrophenyl)methylene)hydrazinecarboxamide","","CN(C)CCCNC(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-]","IYKGJMUAANQSOL-XNTDXEJSSA-N","9554129",NA,"PDBC41450","656194","Present"
-"N-(3-(Dimethylamino)propyl)-2-((4-hydroxyphenyl)methylene)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(3-(Dimethylamino)propyl)-2-((4-hydroxyphenyl)methylene)hydrazinecarboxamide","","CN(C)CCCNC(=O)NN=CC1=CC=C(C=C1)O","WXBUAOCBGGEJQV-XNTDXEJSSA-N","135509172",NA,"PDBC41451","666458","Present"
-"N-(3-(Dimethylamino)propyl)-2-((4-methoxyphenyl)methylene)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(3-(Dimethylamino)propyl)-2-((4-methoxyphenyl)methylene)hydrazinecarboxamide","","CN(C)CCCNC(=O)NN=CC1=CC=C(C=C1)OC","KSTBXGQYCUMRFV-LFIBNONCSA-N","9554126",NA,"PDBC41452","656193","Present"
-"N-(3-(Dimethylamino)propyl)-2-(phenylmethylene)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(3-(Dimethylamino)propyl)-2-(phenylmethylene)hydrazinecarboxamide","","CN(C)CCCNC(=O)NN=CC1=CC=CC=C1","HDAMACVELHPZHG-RVDMUPIBSA-N","9554123",NA,"PDBC41453","656192","Present"
-"N-(3-(Hydroxy(oxido)amino)benzyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-(Hydroxy(oxido)amino)benzyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC=C2)[N+](=O)[O-]","CCAKBSJQJAVJQW-UHFFFAOYSA-N","309044",NA,"PDBC41454","211193","Present"
-"N-(3-(Methyl(3-(((2-phenyl-4-quinolinyl)carbonyl)amino)propyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[3-[Methyl-[3-[(2-phenylquinoline-4-carbonyl)amino]propyl]amino]propyl]-2-phenylquinoline-4-carboxamide","","CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)CCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","JHHIWYHLJVQCFF-UHFFFAOYSA-N","384378",NA,"PDBC41455","674086","Present"
-"N-(3-(Phenylimino)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)aniline","","","","","","","","","","","","","","","","","","","","N-(3-(Phenylimino)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)aniline","","C1CN2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)SC2=N1","GFBWUJYYTUBVSP-UHFFFAOYSA-N","383251",NA,"PDBC41456","671365","Present"
-"N-(3-(Tert-Butylimino)-5,5-dimethyl-4,5-dihydro-2-benzothiepin-1(3H)-ylidene)aniline","","","","","","","","","","","","","","","","","","","","N-(3-(Tert-Butylimino)-5,5-dimethyl-4,5-dihydro-2-benzothiepin-1(3H)-ylidene)aniline","","CC1(CC(=NC(C)(C)C)SC(=NC2=CC=CC=C2)C3=CC=CC=C31)C","RSNMJUIJZLBDNQ-UHFFFAOYSA-N","371462",NA,"PDBC41457","645730","Present"
-"N-(3-([1,1'-Biphenyl]-4-ylimino)-1-propenyl)[1,1'-biphenyl]-4-amine","","","","","","","","","","","","","","","","","","","","4-phenyl-N-[(E,3E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline","","C1=CC=C(C=C1)C2=CC=C(C=C2)NC=CC=NC3=CC=C(C=C3)C4=CC=CC=C4","NMTVOLGEUFUEOW-UUBFXEKFSA-N","6282936",NA,"PDBC41458","676468","Present"
-"N-(3-Acetamido-6-oxo-5H-phenanthridin-8-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Acetamido-6-oxo-5H-phenanthridin-8-yl)acetamide","","CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)NC(=O)C)NC2=O","TUVBUEDCAFRQPP-UHFFFAOYSA-N","24205587",NA,"PDBC41459","736196","Present"
-"N-(3-Acetamido-6-oxobenzo[c]chromen-8-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Acetamido-6-oxobenzo[c]chromen-8-yl)acetamide","","CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)NC(=O)C)OC2=O","CSUWFCCZWGXRBN-UHFFFAOYSA-N","24205585",NA,"PDBC41460","736194","Present"
-"N-(3-Acetylphenyl)(4-{[4-chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}phenyl)car boxamide","","","","","","","","","","","","","","","","","","","","3-acetyl-1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1...","","CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","INVWQVSPEKDLLL-UHFFFAOYSA-N","1178251",NA,"PDBC41461","732834","Present"
-"N-(3-Acetylphenyl)-2-((hydrazinocarbothioyl)hydrazono)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","(2E)-N-(3-Acetylphenyl)-2-(aminocarbamothioylhydrazinylidene)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)acetamide","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=NNC(=S)NN)C2C(=O)NC3=CC=CC=C3S2=O","WVYWHZLYGILTDO-IWIPYMOSSA-N","5867654",NA,"PDBC41462","648612","Present"
-"N-(3-Acetylphenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Acetylphenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C2=C(C3=CC=CC=C3OC2=O)O","NMWUPSRKKGTYBN-UHFFFAOYSA-N","54676276",NA,"PDBC41463","648626","Present"
-"N-(3-Acetylphenyl)-2-(tert-butylhydrazono)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Acetylphenyl)-2-(tert-butylhydrazono)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)acetamide","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=NNC(C)(C)C)C2=C(C3=CC=CC=C3OC2=O)O","UMAVUYVYSYTOBX-PLRJNAJWSA-N","135499244",NA,"PDBC41464","646813","Present"
-"N-(3-Acetylphenyl)-2-[2-(4-amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)hydrazino]-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","Acetamide, N-(3-acetylphenyl)-2-[(4-amino-5-mercapto- 4H...","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)NNC2=NNC(=S)N2N","QKGMMOVVQGSIGD-UHFFFAOYSA-N","3000679",NA,"PDBC41465","642049","Present"
-"N-(3-Acetylphenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(3-Acetylphenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]","FHIIDMKDHKACGC-UHFFFAOYSA-N","369449",NA,"PDBC41466","641219","Present"
-"N-(3-Acetylphenyl)-3-(hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(3-Acetylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanamide","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","POBPSTWMYMQFOL-UHFFFAOYSA-N","372919",NA,"PDBC41467","648631","Present"
-"N-(3-Acetylphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(3-Acetylphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","TWACPZUQKAKMOC-UHFFFAOYSA-N","369251",NA,"PDBC41468","640982","Present"
-"N-(3-Acetylphenyl)-4-hydrazino-2,4-dioxo-3-phenylbutanamide","","","","","","","","","","","","","","","","","","","","N-(3-Acetylphenyl)-4-hydrazino-2,4-dioxo-3-phenylbutanamide","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2=CC=CC=C2)C(=O)NN","YUWYMRDWXUCODA-UHFFFAOYSA-N","369484",NA,"PDBC41469","641254","Present"
-"N-(3-Acetylphenyl)-N'-(3,5-diimino-1,2,4-triazolidin-4-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(3-Acetylphenyl)-N'-(3,5-diimino-1,2,4-triazolidin-4-yl)ethanediamide","","CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)NN2C(=NN=C2N)N","HXSNUCJXOJGJNU-UHFFFAOYSA-N","370962",NA,"PDBC41470","644767","Present"
-"N-(3-Amino-1,1-diphenylpropyl)-3,4,5-trimethoxybenzamide","","","","","","","","","","","","","","","","","","","","N-(3-Amino-1,1-diphenylpropyl)-3,4,5-trimethoxybenzamide","","COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCN)(C2=CC=CC=C2)C3=CC=CC=C3","BDLGPSASQINYFC-UHFFFAOYSA-N","379865",NA,"PDBC41471","665002","Present"
-"N-(3-Amino-1,4-dioxonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Amino-1,4-dioxonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide","","C1=CC=C(C(=C1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N)F","CWPCZZOEQBIYFX-UHFFFAOYSA-N","371179",NA,"PDBC41472","645211","Present"
-"N-(3-Amino-1,4-dioxonaphthalen-2-yl)-2-(4-fluorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Amino-1,4-dioxonaphthalen-2-yl)-2-(4-fluorophenyl)acetamide","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)NC(=O)CC3=CC=C(C=C3)F)N","HHCXGIDMHLXQFH-UHFFFAOYSA-N","371176",NA,"PDBC41473","645208","Present"
-"N-(3-Amino-1H-pyrazol-5-yl)-2-((4-amino-6-(dimethylamino)-1,5-triazin-2-yl)methylthio)-4-chloro-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-amino-1H-pyrazol-5-yl)-2-((4-amino-6-(dimethylamino...","","CC1=CC(=C(C=C1Cl)SCC2=NC(=NC(=N2)N(C)C)N)S(=O)(=O)NC3=NNC(=C3)N","OUOGPRBVGHIWOI-UHFFFAOYSA-N","378481",NA,"PDBC41474","661081","Present"
-"N-(3-Amino-2-hydroxypropyl)-4-[5-[4-[(3-amino-2-hydroxypropyl)carbamoyl]phenyl]furan-2-yl]benzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(3-Amino-2-hydroxypropyl)-4-[5-[4-[(3-amino-2-hydroxypropyl)carbamoyl]phenyl]furan-2-yl]benzamide;hydrochloride","","C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=O)NCC(CN)O)C(=O)NCC(CN)O.Cl","ZYNRLBLEEDQXOM-UHFFFAOYSA-N","401963",NA,"PDBC41475","715652","Present"
-"N-(3-Amino-4-oxo-3,4-dihydro-2-quinazolinyl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-Amino-4-oxo-3,4-dihydro-2-quinazolinyl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3C(=O)N2N","IAVLNAGDEVLRNT-UHFFFAOYSA-N","397054",NA,"PDBC41476","704336","Present"
-"N-(3-Amino-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-Amino-4-oxothieno[3,2-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2N)SC=C3","QGJCPIPVSPYYRE-UHFFFAOYSA-N","397052",NA,"PDBC41477","704334","Present"
-"N-(3-Amino-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-Amino-4-oxothieno[3,4-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CSC=C3C(=O)N2N","GOMLEAUEMYNODG-UHFFFAOYSA-N","397051",NA,"PDBC41478","704333","Present"
-"N-(3-Amino-6-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-Amino-6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2N)SC(=C3)C4=CC=C(C=C4)Cl","PDMQWTCMIGLFIP-UHFFFAOYSA-N","397053",NA,"PDBC41479","704335","Present"
-"N-(3-Aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-(3-Aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide","","C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)N","FBLWAWFEDQBUJO-UHFFFAOYSA-N","11589061",NA,"PDBC41480","733257","Present"
-"N-(3-Aminopropoxy)-N-(3-aminopropyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(3-Aminopropoxy)-N-(3-aminopropyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide;hydrochloride","","CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)N(CCCN)OCCCN)C.Cl","CTZKAUJPOYJDPN-UHFFFAOYSA-N","396616",NA,"PDBC41481","703118","Present"
-"N-(3-Aminopropoxy)-N-(3-aminopropyl)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(3-Aminopropoxy)-N-(3-aminopropyl)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride","","CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCN)OCCCN)C.Cl","LJAUSVCZZBYUIL-UHFFFAOYSA-N","396610",NA,"PDBC41482","703115","Present"
-"N-(3-Aminopropoxy)-N-(3-aminopropyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(3-Aminopropoxy)-N-(3-aminopropyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide;hydrochloride","","CC1=CC(=C(C(=C1S(=O)(=O)N(CCCN)OCCCN)C)C)OC.Cl","MDLCKPMCLTVJCP-UHFFFAOYSA-N","396618",NA,"PDBC41483","703119","Present"
-"N-(3-Aminopropyl)-N-[2-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxyethoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(3-Aminopropyl)-N-[2-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxyethoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCN)OCCON(CCCN)S(=O)(=O)C2=C(C=C(C=C2C)C)C)C.Cl","HCDVXHCAVJSITQ-UHFFFAOYSA-N","396608",NA,"PDBC41484","703114","Present"
-"N-(3-Aminopropyl)-N-[3-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(3-Aminopropyl)-N-[3-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCN)OCCCON(CCCN)S(=O)(=O)C2=C(C=C(C=C2C)C)C)C.Cl","NQLDOTYIRASGAR-UHFFFAOYSA-N","397940",NA,"PDBC41485","707020","Present"
-"N-(3-Aminopropyl)-N-benzylbutane-1,4-diamine","","","","","","","","","","","","","","","","","","","","N-(3-Aminopropyl)-N-benzylbutane-1,4-diamine","","C1=CC=C(C=C1)CN(CCCCN)CCCN","BFURQINQUKOEFD-UHFFFAOYSA-N","389623",NA,"PDBC41486","685969","Present"
-"N-(3-Anilino-1H-1,2,4-triazol-5-yl)-2-[[2-[(3-anilino-1H-1,2,4-triazol-5-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]disulfanyl]-4-chloro-5-methyl-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(5-Anilino-1H-1,2,4-triazol-3-yl)-2-[[2-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]disulfanyl]-4-chloro-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)SSC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)NC3=NNC(=N3)NC4=CC=CC=C4)S(=O)(=O)NC5=NNC(=N5)NC6=CC=CC=C6","AMRIPXJLNCEOOK-UHFFFAOYSA-N","380938",NA,"PDBC41487","666724","Present"
-"N-(3-Benzyl-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Benzyl-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide","","CC(=O)NN1C2=CC=CC=C2C(C1=O)CC3=CC=CC=C3","DYWGKGNRXOWDLO-UHFFFAOYSA-N","368595",NA,"PDBC41488","639691","Present"
-"N-(3-Benzyl-5-(cyanomethyl)-4H-1,2,4-triazol-4-yl)-2-cyanoacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Benzyl-5-(cyanomethyl)-4H-1,2,4-triazol-4-yl)-2-cyanoacetamide","","C1=CC=C(C=C1)CC2=NN=C(N2NC(=O)CC#N)CC#N","LQZMJYWIOWNFIM-UHFFFAOYSA-N","386455",NA,"PDBC41489","678484","Present"
-"N-(3-Bromo-4-hydroxy-1-naphthyl)-4-fluorobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","NSC780580","","C1=CC=C2C(=C1)C(=CC(=C2O)Br)NS(=O)(=O)C3=CC=C(C=C3)F","CAMNZAZSAHUYIQ-UHFFFAOYSA-N","2269888",NA,"PDBC41490","780580","Present"
-"N-(3-Bromo-6-oxo-1-(1-piperazinyl)-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Bromo-6-oxo-1-piperazin-1-yl-4,5-dihydrocyclopenta[c]thiophen-4-yl)-2,2,2-trifluoroacetamide","","C1CN(CCN1)C2=C3C(=O)CC(C3=C(S2)Br)NC(=O)C(F)(F)F","BPIWZNACZGORGD-UHFFFAOYSA-N","378797",NA,"PDBC41491","662118","Present"
-"N-(3-Bromo-6-oxo-1-(4-phenyl-1-piperidinyl)-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-[3-Bromo-6-oxo-1-(4-phenylpiperidin-1-yl)-4,5-dihydrocyclopenta[c]thiophen-4-yl]-2,2,2-trifluoroacetamide","","C1CN(CCC1C2=CC=CC=C2)C3=C4C(=O)CC(C4=C(S3)Br)NC(=O)C(F)(F)F","DCKMBKBWOHERDL-UHFFFAOYSA-N","378804",NA,"PDBC41492","662123","Present"
-"N-(3-Bromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Bromo-6-oxo-4,5-dihydrocyclopenta[c]thiophen-4-yl)-2,2,2-trifluoroacetamide","","C1C(C2=C(SC=C2C1=O)Br)NC(=O)C(F)(F)F","SYZHRDMXBWIMGW-UHFFFAOYSA-N","378798",NA,"PDBC41493","662119","Present"
-"N-(3-Bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","N-(3-Bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine","","COC1(CCC2=C(C1)SC3=NC=NC(=C23)NC4=CC(=CC=C4)Br)OC","HAZUKGPGYAIQRQ-UHFFFAOYSA-N","396717",NA,"PDBC41494","703326","Present"
-"N-(3-Bromophenyl)-N-hydroxyurea","","","","","","","","","","","","","","","","","","","","1-(3-Bromophenyl)-1-hydroxyurea","","C1=CC(=CC(=C1)Br)N(C(=O)N)O","RJFSOVJXXRBCIO-UHFFFAOYSA-N","392398",NA,"PDBC41495","692762","Present"
-"N-(3-Bromophenyl)spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine]-4'-amine","","","","","","","","","","","","","","","","","","","","N-(3-Bromophenyl)spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine]-4'-amine","","C1CC2(CC3=C1C4=C(N=CN=C4S3)NC5=CC(=CC=C5)Br)OCCO2","GXJJVTJFJZOXHQ-UHFFFAOYSA-N","396714",NA,"PDBC41496","703323","Present"
-"N-(3-Bromoquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;hydroiodide","","","","","","","","","","","","","","","","","","","","N-(3-Bromoquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;hydroiodide","","CCN(CC)CCCCCCNC1=CC=CC2=CC(=CN=C21)Br.I","WLDBNTVLKLISKS-UHFFFAOYSA-N","24182084",NA,"PDBC41497","13612","Present"
-"N-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","2H-1-Benzopyran-3-acetamide, N-(3-chloro-1,4-dioxo- 2-na...","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C(=O)C3=C(C4=CC=CC=C4OC3=O)O","DIVJMFVRDQHKSS-UHFFFAOYSA-N","54693275",NA,"PDBC41498","649811","Present"
-"N-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-(hydroxyimino)-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-4-oxo-6-phenylhexanamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-hydroxyimino-6-(4-hydroxy-2-oxochromen-3-yl)-4-oxo-6-phenylhexanamide","","C1=CC=C(C=C1)C(CC(=O)CC(=NO)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=C(C5=CC=CC=C5OC4=O)O","OFWDBPLRILYIJW-VQNDASPWSA-N","54692865",NA,"PDBC41499","649567","Present"
-"N-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide","","CC1(CC(=O)C(C(=O)C1)C(=O)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C","YEOQJIQIIMGULX-UHFFFAOYSA-N","369853",NA,"PDBC41500","642050","Present"
-"N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide","","","","","","","","","","","","","","","","","","","","1,4-Naphthalenedione, 2-chloro-3-[[2-(2-fluorophenyl)- 1...","","C1=CC=C(C(=C1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)F","XTWWGIRYIKFREK-UHFFFAOYSA-N","371178",NA,"PDBC41501","645210","Present"
-"N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-4-[2-[(3,4-dioxonaphthalen-2-yl)amino]phenyl]-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","Benzenebutanamide, N-(3-chloro-1,4-dihydro-1,4-dioxo- 2-...","","C1=CC=C2C(=C1)C=C(C(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=C(C(=O)C5=CC=CC=C5C4=O)Cl","DVWNWQNIVXGREC-UHFFFAOYSA-N","369475",NA,"PDBC41502","641245","Present"
-"N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-4-methoxybenzamide","","","","","","","","","","","","","","","","","","","","2-[(4-Methoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone","","COC1=CC=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","NBMSQIBRIQVBJJ-UHFFFAOYSA-N","377416",NA,"PDBC41503","658859","Present"
-"N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","2-Naphthalenebutanamide, N-(3-chloro-1,4-dihydro- 1,4-di...","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","UBKLJIUHBTWPQD-UHFFFAOYSA-N","369463",NA,"PDBC41504","641233","Present"
-"N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-N-(2-methoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-N-(2-methoxyphenyl)acetamide","","CC(=O)N(C1=CC=CC=C1OC)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","NESAYAUVALVXLY-UHFFFAOYSA-N","282598",NA,"PDBC41505","136268","Present"
-"N-(3-Chloro-1,4-dioxonaphthalen-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","KUC110490N","","C1=CC=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","ADHBVWXFMCERTO-UHFFFAOYSA-N","377410",NA,"PDBC41506","658853","Present"
-"N-(3-Chloro-1,4-dioxonaphthalen-2-yl)butanamide","","","","","","","","","","","","","","","","","","","","Naphthalen-1,4-dione, 3-butanoylamino-2-chloro-1,4-dihydro-","","CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl","QRIWUMQXJVSZPA-UHFFFAOYSA-N","276685",NA,"PDBC41507","124994","Present"
-"N-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3Cl","PEIGGLUKUOJXLG-UHFFFAOYSA-N","373553",NA,"PDBC41508","650006","Present"
-"N-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3O","OWSHVQCLIWFXCE-UHFFFAOYSA-N","373546",NA,"PDBC41509","649999","Present"
-"N-(3-Chloro-2-(2-methoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(2-methoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","COC1=CC=CC=C1C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl","HCZAJKQTRNGOQV-UHFFFAOYSA-N","373550",NA,"PDBC41510","650003","Present"
-"N-(3-Chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","COC1=C(C=C(C=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl)OC","BXXOPEXHUPEHLH-UHFFFAOYSA-N","373555",NA,"PDBC41511","650008","Present"
-"N-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=C(C(=CC(=C3)Br)Br)O","KOVHPMAQLHPRSJ-UHFFFAOYSA-N","373558",NA,"PDBC41512","650011","Present"
-"N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-hydroxybenzamide","","C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)[N+](=O)[O-])O","MYLSRKKIVQKDRD-UHFFFAOYSA-N","374787",NA,"PDBC41513","653032","Present"
-"N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)[N+](=O)[O-]","AUYJKBXJRLTFGT-UHFFFAOYSA-N","373548",NA,"PDBC41514","650001","Present"
-"N-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)O","ZOLXELYLFMBTES-UHFFFAOYSA-N","373547",NA,"PDBC41515","650000","Present"
-"N-(3-Chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-]","UFYZIVFMWCSSEN-UHFFFAOYSA-N","373549",NA,"PDBC41516","650002","Present"
-"N-(3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)Cl","IDEHMCXAZMRSSG-UHFFFAOYSA-N","373554",NA,"PDBC41517","650007","Present"
-"N-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","COC1=C(C=CC(=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl)O","NTBHUTDZRRQJAT-UHFFFAOYSA-N","373556",NA,"PDBC41518","650009","Present"
-"N-(3-Chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide","","C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O","FYMORAVOLCMQCC-UHFFFAOYSA-N","373552",NA,"PDBC41519","650005","Present"
-"N-(3-Chloro-2-iodophenyl)-2-(hydroxyimino)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-iodophenyl)-2-(hydroxyimino)acetamide","","C1=CC(=C(C(=C1)Cl)I)NC(=O)C=NO","QIZHZMIKFHWTLL-NYYWCZLTSA-N","9571383",NA,"PDBC41520","651037","Present"
-"N-(3-Chloro-2-methylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2H-1,4-Benzothiazine-2-acetamide, N-(3-chloro-2-methyl- ...","","CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","JBDCHLDQUYNEHW-UHFFFAOYSA-N","366113",NA,"PDBC41521","634400","Present"
-"N-(3-Chloro-2-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","NSC634396///NSC637599","","CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","INZRHQMESLKTEV-UHFFFAOYSA-N","366109",NA,"PDBC41522","634396///637599","Present"
-"N-(3-Chloro-2-methylphenyl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-methylphenyl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide","","CC1=C(C=CC=C1Cl)NC(=O)C(=O)C2C(=O)CC(CC2=O)(C)C","NUAMTRNGAJRFMS-UHFFFAOYSA-N","368943",NA,"PDBC41523","640348","Present"
-"N-(3-Chloro-2-methylphenyl)-2-(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-methylphenyl)-2-(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide","","CC1=C(C=CC=C1Cl)NC(=O)C(=O)C2=C(C3=C(C=C(C=C3)O)OC2=O)O","BWYLWGTZWSZVGB-UHFFFAOYSA-N","54686203",NA,"PDBC41524","647102","Present"
-"N-(3-Chloro-2-methylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-methylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","CC1=C(C=CC=C1Cl)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O","CZEDNUJPQVBVBE-UHFFFAOYSA-N","371844",NA,"PDBC41525","646362","Present"
-"N-(3-Chloro-2-methylphenyl)-3-(isonicotinoylhydrazono)butanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-methylphenyl)-3-(isonicotinoylhydrazono)butanamide","","CC1=C(C=CC=C1Cl)NC(=O)CC(=NNC(=O)C2=CC=NC=C2)C","VVHPEDACSPTYLO-SRZZPIQSSA-N","9571665",NA,"PDBC41526","641858","Present"
-"N-(3-Chloro-2-methylphenyl)-3-(methylhydrazono)butanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-methylphenyl)-3-(methylhydrazono)butanamide","","CC1=C(C=CC=C1Cl)NC(=O)CC(=NNC)C","SNMMMAVSTQFOTI-LZYBPNLTSA-N","9571310",NA,"PDBC41527","641873","Present"
-"N-(3-Chloro-2-methylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-methylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","CC1=C(C=CC=C1Cl)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","PYZKPBQCESRDRH-UHFFFAOYSA-N","366289",NA,"PDBC41528","634640","Present"
-"N-(3-Chloro-2-methylphenyl)-4-(7-methoxy-3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-2-methylphenyl)-4-(7-methoxy-3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","CC1=C(C=CC=C1Cl)NC(=O)C(=O)CC(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)OC)[O-])C","JGSVRDOCVHEECM-UHFFFAOYSA-N","364336",NA,"PDBC41529","630351","Present"
-"N-(3-Chloro-4-fluorophenyl)-11-(3-chloro-4-fluorophenyl)imino-9-methoxyindeno[1,2-c]quinolin-6-amine","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-11-(3-chloro-4-fluorophenyl)imino-9-methoxyindeno[1,2-c]quinolin-6-amine","","COC1=CC2=C(C=C1)C3=C(C2=NC4=CC(=C(C=C4)F)Cl)C5=CC=CC=C5N=C3NC6=CC(=C(C=C6)F)Cl","LUQVGCMUJXSVSU-UHFFFAOYSA-N","24205225",NA,"PDBC41530","734643","Present"
-"N-(3-Chloro-4-fluorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3,5-bis(4-hydroxy-3-methoxystyryl)-N-(3-chloro-4-fluorop...","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)NC3=CC(=C(C=C3)F)Cl)C=CC4=CC(=C(C=C4)O)OC)O","RDRVIUAYIZHUKD-DDEWIXKASA-N","155806818",NA,"PDBC41531","757927","Present"
-"N-(3-Chloro-4-fluorophenyl)-4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=C(C=C3)F)Cl","QQLSRWADRJPXMX-UHFFFAOYSA-N","24203928",NA,"PDBC41532","730187","Present"
-"N-(3-Chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=O)N1)C2=CC=CC=C2O)C(=O)NC3=CC(=C(C=C3)F)Cl","SHSNEUUNUCKVNF-UHFFFAOYSA-N","24205452",NA,"PDBC41533","735810","Present"
-"N-(3-Chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=S)N1)C2=CC=CC=C2O)C(=O)NC3=CC(=C(C=C3)F)Cl","OFAHDVOHZSYRGX-UHFFFAOYSA-N","24203840",NA,"PDBC41534","729776","Present"
-"N-(3-Chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl","RUAGSHFYMGECDP-UHFFFAOYSA-N","24205454",NA,"PDBC41535","735812","Present"
-"N-(3-Chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl","MXWJTZYGVILJDJ-UHFFFAOYSA-N","24203929",NA,"PDBC41536","730188","Present"
-"N-(3-Chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)O)C(=O)NC3=CC(=C(C=C3)F)Cl","YIPHLPARQMKDPQ-UHFFFAOYSA-N","24205456",NA,"PDBC41537","735814","Present"
-"N-(3-Chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)O)C(=O)NC3=CC(=C(C=C3)F)Cl","SSOQEYIEPQVERL-UHFFFAOYSA-N","24203932",NA,"PDBC41538","730191","Present"
-"N-(3-Chloro-4-fluorophenyl)-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC)C(=O)NC3=CC(=C(C=C3)F)Cl","DJPLRGPPZDRREQ-UHFFFAOYSA-N","24203931",NA,"PDBC41539","730190","Present"
-"N-(3-Chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl","KAHFQGWVFTXRIF-UHFFFAOYSA-N","24205457",NA,"PDBC41540","735815","Present"
-"N-(3-Chloro-4-fluorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine","","C1=CC(=C(C=C1NC2=NC=C(S2)C3=CC(=C(C=C3Cl)Cl)F)Cl)F","MMMKYGFBMBKYBO-UHFFFAOYSA-N","406887",NA,"PDBC41541","725206","Present"
-"N-(3-Chloro-4-fluorophenyl)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)F)Cl","ZCJBNVWYEPHSRE-UHFFFAOYSA-N","24205455",NA,"PDBC41542","735813","Present"
-"N-(3-Chloro-4-fluorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-fluorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide","","CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)F)Cl","SCSGPENBYFQVOA-UHFFFAOYSA-N","24203930",NA,"PDBC41543","730189","Present"
-"N-(3-Chloro-4-methoxyphenyl)-2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-methoxyphenyl)-2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)OC)Cl","HLWNABZKZFVELA-UHFFFAOYSA-N","44456817",NA,"PDBC41544","740982","Present"
-"N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide","","CC1=C(C=C(C=C1)NC(=S)C#N)Cl","MKYAHUOBFHQPIH-UHFFFAOYSA-N","3317094",NA,"PDBC41545","339602","Present"
-"N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-2-(dimethylamino)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-2-(dimethylamino)acetamide","","CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CN(C)C","OXVAMFOKPUJRPQ-UHFFFAOYSA-N","366830",NA,"PDBC41546","635602","Present"
-"N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(1-piperidinyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(1-piperidinyl)propanamide","","CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CCN4CCCCC4","WERRZETVKYYIIY-UHFFFAOYSA-N","375992",NA,"PDBC41547","656357","Present"
-"N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)propanamide","","CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CCN4CCN(CC4)CCO","PLXNZYLEZNYLHB-UHFFFAOYSA-N","375988",NA,"PDBC41548","656354","Present"
-"N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(diethylamino)propanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(diethylamino)propanamide","","CCN(CC)CCC(=O)NC1C2=C(C=C(C=C2)Cl)OC3=C(C=CC=C13)C","HDMNGWOXOWJJKZ-UHFFFAOYSA-N","375991",NA,"PDBC41549","656356","Present"
-"N-(3-Chlorophenyl)-1-cyanomethanethioamide","","","","","","","","","","","","","","","","","","","","1-Chloro-3-[(cyanocarbonothioyl)amino]benzene","","C1=CC(=CC(=C1)Cl)NC(=S)C#N","QUILNKKTILOYNC-UHFFFAOYSA-N","4613403",NA,"PDBC41550","369316","Present"
-"N-(3-Chlorophenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","C1COC(=O)C1C(=O)CC(=O)C(=O)NC2=CC(=CC=C2)Cl","DZFDBCCPZLHMKU-UHFFFAOYSA-N","361006",NA,"PDBC41551","623739","Present"
-"N-(3-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","C1=CC=C2C(=C1)NC(=O)C(S2(=O)=O)CC(=O)NC3=CC(=CC=C3)Cl","ADNPZYGKSDNZHO-UHFFFAOYSA-N","366131",NA,"PDBC41552","634418","Present"
-"N-(3-Chlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","2H-1,4-Benzothiazin-3-one, 2-[2-(3-chlorophenylamino)-2-...","","C1=CC=C2C(=C1)NC(=O)C(S2=O)CC(=O)NC3=CC(=CC=C3)Cl","BEVBCVNDNQPJHA-UHFFFAOYSA-N","365332",NA,"PDBC41553","632923","Present"
-"N-(3-Chlorophenyl)-2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide","","CSC(=C(C#N)C(=O)NC1=CC(=CC=C1)Cl)SC","ASDQIARSXUCZAT-UHFFFAOYSA-N","390305",NA,"PDBC41554","687597","Present"
-"N-(3-Chlorophenyl)-2-methyl-6-nitro-4-oxoquinazoline-3-carbothioamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-2-methyl-6-nitro-4-oxoquinazoline-3-carbothioamide","","CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C(=S)NC3=CC(=CC=C3)Cl","CGMADCUQYWISPT-UHFFFAOYSA-N","5472399",NA,"PDBC41555","718387","Present"
-"N-(3-Chlorophenyl)-3-(2-(4-((2-cyanoethyl)(methylsulfonyl)amino)benzylidene)hydrazino)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-N'-[(E)-[4-[2-cyanoethyl(methylsulfonyl)amino]phenyl]methylideneamino]propanediamide","","CS(=O)(=O)N(CCC#N)C1=CC=C(C=C1)C=NNC(=O)CC(=O)NC2=CC(=CC=C2)Cl","NJTQWLVWXRVHJC-OEAKJJBVSA-N","9555828",NA,"PDBC41556","638221","Present"
-"N-(3-Chlorophenyl)-3-(4-((2-ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-3-(4-((2-ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","CCOC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5","GBUUMLWMJWBECT-UHFFFAOYSA-N","372600",NA,"PDBC41557","647961","Present"
-"N-(3-Chlorophenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","CC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5","QSTROFQJAAFIMJ-UHFFFAOYSA-N","369124",NA,"PDBC41558","640672","Present"
-"N-(3-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4)N=NC5=CC=C(C=C5)Cl","DROBQIDBQOWYNQ-UHFFFAOYSA-N","383188",NA,"PDBC41559","671309","Present"
-"N-(3-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","COC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5","AXRGTLBJYRDFIL-UHFFFAOYSA-N","369380",NA,"PDBC41560","641142","Present"
-"N-(3-Chlorophenyl)-3-cyano-2-((3-hydroxy-2-naphthoyl)hydrazono)-3-(2-methylphenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-3-cyano-2-((3-hydroxy-2-naphthoyl)hydrazono)-3-(2-methylphenyl)propanamide","","CC1=CC=CC=C1C(C#N)C(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)C(=O)NC4=CC(=CC=C4)Cl","KJHDIKSMXUGIOK-FSRJSHLRSA-N","9555789",NA,"PDBC41561","625906","Present"
-"N-(3-Chlorophenyl)-3-cyano-3-(2-methylphenyl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-3-cyano-3-(2-methylphenyl)-2-oxopropanamide","","CC1=CC=CC=C1C(C#N)C(=O)C(=O)NC2=CC(=CC=C2)Cl","ICIFMZDRDVSQMW-UHFFFAOYSA-N","366968",NA,"PDBC41562","636130","Present"
-"N-(3-Chlorophenyl)-3-hydrazino-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-3-hydrazino-3-oxopropanamide","","C1=CC(=CC(=C1)Cl)NC(=O)CC(=O)NN","DBAGCVUFFLVICX-UHFFFAOYSA-N","385912",NA,"PDBC41563","677374","Present"
-"N-(3-Chlorophenyl)-3-oxo-3-(2-(2-oxo-2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)ethyl)hydrazino)propanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]hydrazinyl]propanamide","","C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CNNC(=O)CC(=O)NC3=CC(=CC=C3)Cl","DIAURNOGQWMBSF-UHFFFAOYSA-N","370001",NA,"PDBC41564","642565","Present"
-"N-(3-Chlorophenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide","","C1C(N(N=C1N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5","AZGOVDPGVIHRHL-UHFFFAOYSA-N","389692",NA,"PDBC41565","686236","Present"
-"N-(3-Chlorophenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide","","C1CC(=O)C(CC1=O)C(=O)CCC(=O)NC2=CC(=CC=C2)Cl","JGZLIPPRQKQJBW-UHFFFAOYSA-N","364278",NA,"PDBC41566","630295","Present"
-"N-(3-Chlorophenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-4-oxobutanamide","","C1CC(C(=NNC(=O)C(=O)NN)C1)C(=O)CCC(=O)NC2=CC(=CC=C2)Cl","JUZLGRHTZGULEH-LPYMAVHISA-N","6299355",NA,"PDBC41567","632013","Present"
-"N-(3-Chlorophenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=CC=C5)Cl","WWCNKUDKBYRCCD-UHFFFAOYSA-N","369453",NA,"PDBC41568","641223","Present"
-"N-(3-Chlorophenyl)-4-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-4-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-4-oxobutanamide","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)CCC(=O)NC3=CC(=CC=C3)Cl","ZFTJOYJEPJVCAJ-UHFFFAOYSA-N","364275",NA,"PDBC41569","630292","Present"
-"N-(3-Chlorophenyl)-4-phenyl-3-(4-phenoxyphenyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-4-phenyl-3-(4-phenoxyphenyl)butanamide","","C1=CC=C(C=C1)CC(CC(=O)NC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC4=CC=CC=C4","AIHFRJGXLLKUKB-UHFFFAOYSA-N","403107",NA,"PDBC41570","717579","Present"
-"N-(3-Chlorophenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide","","COC1=CC=C(C=C1)C(C(=O)CCC(=O)NC2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)OC","LNBOJHOVVGGEGQ-UHFFFAOYSA-N","361459",NA,"PDBC41571","624481","Present"
-"N-(3-Chlorophenyl)-5-cyano-4-oxo-5-phenylpentanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-5-cyano-4-oxo-5-phenylpentanamide","","C1=CC=C(C=C1)C(C#N)C(=O)CCC(=O)NC2=CC(=CC=C2)Cl","WOEBZJIRQNFHLB-UHFFFAOYSA-N","365043",NA,"PDBC41572","632001","Present"
-"N-(3-Chlorophenyl)-6-(4-chlorophenyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-6-(4-chlorophenyl)-4,6-dioxohexanamide","","C1=CC(=CC(=C1)Cl)NC(=O)CCC(=O)CC(=O)C2=CC=C(C=C2)Cl","BUFPZLCUUGTEEP-UHFFFAOYSA-N","360654",NA,"PDBC41573","622972","Present"
-"N-(3-Chlorophenyl)-6-(4-chlorophenyl)-4-(hydroxyimino)-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-6-(4-chlorophenyl)-4-(hydroxyimino)-6-oxohexanamide","","C1=CC(=CC(=C1)Cl)NC(=O)CCC(=NO)CC(=O)C2=CC=C(C=C2)Cl","WCYPTFIMKVPIEH-CJLVFECKSA-N","9570018",NA,"PDBC41574","632035","Present"
-"N-(3-Chlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide","","C1=CC(=CC(=C1)Cl)NC(=O)CCC(=O)CC(=O)C2=CC=C(C=C2)F","VFWGESVKDCYDLY-UHFFFAOYSA-N","360652",NA,"PDBC41575","622970","Present"
-"N-(3-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea","","CC1=CC(=NC(=C1)NC(=S)NC2=CC(=CC=C2)Cl)C","LUMNZYDYRRCLAR-UHFFFAOYSA-N","3005374",NA,"PDBC41576","695062","Present"
-"N-(3-Chlorophenyl)-N-methyl-2-((triisopropylsilyl)oxy)-1-cyclohexene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Chlorophenyl)-N-methyl-2-((triisopropylsilyl)oxy)-1-cyclohexene-1-carboxamide","","CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCCC1)C(=O)N(C)C2=CC(=CC=C2)Cl","PKCIPHAOCONFDA-UHFFFAOYSA-N","395114",NA,"PDBC41577","699404","Present"
-"N-(3-Chloropropyl)-2-(8-((3-chloropropyl)amino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Chloropropyl)-2-[8-(3-chloropropylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide","","CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCl)CC(=O)NCCCCl","FAGATXXWBYXIBN-UHFFFAOYSA-N","392204",NA,"PDBC41578","692337","Present"
-"N-(3-Cinnolinyl)-N-methyl-N-phenylamine","","","","","","","","","","","","","","","","","","","","N-(3-Cinnolinyl)-N-methyl-N-phenylamine","","CN(C1=CC=CC=C1)C2=CC3=CC=CC=C3N=N2","UZJUJYQZXBXUBO-UHFFFAOYSA-N","373153",NA,"PDBC41579","649094","Present"
-"N-(3-Cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzene-sulfonamide","","","","","","","","","","","","","","","","","","","","NSC719239///NSC777573","","CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N","LWGUASZLXHYWIV-UHFFFAOYSA-N","196970",NA,"PDBC41580","719239///777573","Present"
-"N-(3-Cyano-9,14-dioxo-9,14-dihydronaphtho[2,3-b]thieno[2,3-d][1]benzoxepin-2-yl)-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","acetamide, n-(3-cyano-9,14-dihydro-9,14-dioxonaphtho[2,3...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=CC=CC=C4C5=C3SC(=C5C#N)NC(=O)C(F)(F)F","YVHLTFVHTRFJQO-UHFFFAOYSA-N","389769",NA,"PDBC41581","686365","Present"
-"N-(3-Cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-Cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4","WQWYUQJWGKQWSU-UHFFFAOYSA-N","390176",NA,"PDBC41582","687323","Present"
-"N-(3-Ethylphenyl)-2-mercapto-6-(2-phenylvinyl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Ethylphenyl)-2-mercapto-6-(2-phenylvinyl)-4-pyrimidinecarboxamide","","CCC1=CC(=CC=C1)NC(=O)C2=NC(=S)NC(=C2)C=CC3=CC=CC=C3","DZTXYYGRYCIDCZ-VAWYXSNFSA-N","5388106",NA,"PDBC41583","631999","Present"
-"N-(3-Fluoro-1-adamantyl)-N'-(4-methylphenyl)urea","","","","","","","","","","","","","","","","","","","","1-(3-fluoro-1-adamantyl)-3-(p-tolyl)urea","","CC1=CC=C(C=C1)NC(=O)NC23CC4CC(C2)CC(C4)(C3)F","OVJGQSDGECULTC-UHFFFAOYSA-N","371831",NA,"PDBC41584","646347","Present"
-"N-(3-Fluoro-1-adamantyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(3-Fluoro-1-adamantyl)benzamide","","C1C2CC3(CC1CC(C2)(C3)F)NC(=O)C4=CC=CC=C4","NPDZQNMQIMSSQA-UHFFFAOYSA-N","371827",NA,"PDBC41585","646343","Present"
-"N-(3-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","C1=CC=C(C(=C1)N=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)NC4=CC(=CC=C4)F)F","BDJZSFKHCQEFIO-UHFFFAOYSA-N","135426696",NA,"PDBC41586","709567","Present"
-"N-(3-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","C1=CC(=CC(=C1)F)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC(=CC=C4)F","KVKGQEJNCSMXBA-UHFFFAOYSA-N","135426697",NA,"PDBC41587","709568","Present"
-"N-(3-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC(=CC=C3)F)O","BGTSLNMFJGOCLM-UHFFFAOYSA-N","135426701",NA,"PDBC41588","709579","Present"
-"N-(3-Fluorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","","","","","","","","","","","","","","","","","","","N-(3-Fluorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide","","CC12CC(C(C(=O)N1)C(=O)NC3=CC(=CC=C3)F)C4=CC=CC=C4O2","VJIYAXIFEKUZFJ-UHFFFAOYSA-N","399141",NA,"PDBC41589","709560","Present"
-"N-(3-Hydroxy-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Hydroxy-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide","","CC1=C(C(=N)C2=C(C1=O)N3CCC(C3=N2)O)NC(=O)C","SAZHZLQIWXWAOA-UHFFFAOYSA-N","374652",NA,"PDBC41590","652728","Present"
-"N-(3-Hydroxy-7-methyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide","","","","","","","","","","","","","","","","","","","","6-Acetamido-3-hydroxy-7-methyl-5-nitro-2,3-dihydro-1H-py...","","CC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N=C3N2CCC3O","LGKWVDAZPAPNBO-UHFFFAOYSA-N","389495",NA,"PDBC41591","685718","Present"
-"N-(3-Hydroxystyryl)formamide","","","","","","","","","","","","","","","","","","","","Formamide, N-[2-(3-hydroxyphenyl)ethene-1-yl]-, (E)-","","C1=CC(=CC(=C1)O)C=CNC=O","VWWNHOUXNGXHFN-SNAWJCMRSA-N","5386517",NA,"PDBC41592","613467","Present"
-"N-(3-Imidazol-1-ylpropyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(3-(1H-imidazol-1-yl)propyl)-4-(1-(3,5,5,8,8-pentameth...","","CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)NCCCN4C=CN=C4)C(CCC2(C)C)(C)C","LPRUXCDLJAJASM-UHFFFAOYSA-N","155811351",NA,"PDBC41593","761560","Present"
-"N-(3-Iodo-1-propyl)-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno-[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","N-(3-Iodo-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9-methyl...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCI)OC","FPLRDWAICLYEFY-UHFFFAOYSA-N","45027806",NA,"PDBC41594","722900","Present"
-"N-(3-Methoxyphenethyl)-3,3,3-triphenylpropionamide","","","","","","","","","","","","","","","","","","","","N-(3-Methoxyphenethyl)-3,3,3-triphenylpropionamide","","COC1=CC=CC(=C1)CCNC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","ATYCXXPKHGTIRN-UHFFFAOYSA-N","11453337",NA,"PDBC41595","730691","Present"
-"N-(3-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(3-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(CC(=N2)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6","ZMKICOUSXJMKSS-UHFFFAOYSA-N","357546",NA,"PDBC41596","617010","Present"
-"N-(3-Methoxyphenyl)-N-[(5-oxo-2H-pyrrol-1-yl)methyl]acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Methoxyphenyl)-N-[(5-oxo-2H-pyrrol-1-yl)methyl]acetamide","","CC(=O)N(CN1CC=CC1=O)C2=CC(=CC=C2)OC","YZBFANOCCBXZHK-UHFFFAOYSA-N","389189",NA,"PDBC41597","684873","Present"
-"N-(3-Methoxyphenyl)furo[3,2-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-(3-Methoxyphenyl)furo[3,2-c]quinolin-4-amine","","COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","ZXZKJIWJYQMQCJ-UHFFFAOYSA-N","24203912",NA,"PDBC41598","730142","Present"
-"N-(3-Methoxypropyl)acridin-9-amine","","","","","","","","","","","","","","","","","","","","N-(3-Methoxypropyl)acridin-9-amine","","COCCCNC1=C2C=CC=CC2=NC3=CC=CC=C31","IGGGYUPEFQQBLD-UHFFFAOYSA-N","387997",NA,"PDBC41599","682360","Present"
-"N-(3-Methyl-1,4-dioxonaphthalen-2-yl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide","","","","","","","","","","","","","","","","","","","","2-(2-Isonicotinoylhydrazino)-N-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-oxoacetamide","","CC1=C(C2=CC=CC=C2C(=C1NC(=O)C(=O)N=NC(=O)C3=CC=NC=C3)O)O","FLEJZGYNIIZHJS-UHFFFAOYSA-N","371992",NA,"PDBC41600","646807","Present"
-"N-(3-Methyl-4-(phenylimino)-1,3-thiazetidin-2-ylidene)aniline","","","","","","","","","","","","","","","","","","","","Benzeneamine, N,N'-(3-methyl-1,3-thiazetidine-2,4- diyli...","","CN1C(=NC2=CC=CC=C2)SC1=NC3=CC=CC=C3","NELCYIJPKJMGMV-UHFFFAOYSA-N","364040",NA,"PDBC41601","629656","Present"
-"N-(3-Methyl-7-phenylmethoxy-1H-indol-5-yl)-N-prop-2-enylmethanesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-Methyl-7-phenylmethoxy-1H-indol-5-yl)-N-prop-2-enylmethanesulfonamide","","CC1=CNC2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)S(=O)(=O)C","FJAAWJJHILSRHD-UHFFFAOYSA-N","396966",NA,"PDBC41602","704203","Present"
-"N-(3-Methyl-7-phenylmethoxy-2-prop-2-enyl-1H-indol-5-yl)-N-prop-2-enylacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Methyl-7-phenylmethoxy-2-prop-2-enyl-1H-indol-5-yl)-N-prop-2-enylacetamide","","CC1=C(NC2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)C(=O)C)CC=C","YGEJLFWWCCVNTB-UHFFFAOYSA-N","396974",NA,"PDBC41603","704211","Present"
-"N-(3-Methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-[(3-methylphenyl)methyl]-","","CC1=CC(=CC=C1)CNC2=NC=NC3=C2C=NN3","UTHHQUPEUGZVEP-UHFFFAOYSA-N","240424",NA,"PDBC41604","46613","Present"
-"N-(3-Methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(3-Methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride","","CC(C)CCNC1=NC=NC2=C1C=NN2.Cl","DVARLYVHVXIUOR-UHFFFAOYSA-N","5351641",NA,"PDBC41605","11607","Present"
-"N-(3-Methylbutyl)-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(3-Methylbutyl)-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide","","CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CC=C2)C","GFYSCQFSUNMNIC-OBGWFSINSA-N","5470473",NA,"PDBC41606","702119","Present"
-"N-(3-Methylbutyl)-4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(3-Methylbutyl)-4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzamide","","CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CSC(=N2)C3=CC=CC=C3","RMNVILJZKAUILA-OUKQBFOZSA-N","5470487",NA,"PDBC41607","702133","Present"
-"N-(3-Methylbutyl)-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(3-Methylbutyl)-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide","","CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC(=CC=C2)OC3=CC=CC=C3","AUQOJNJKNLKYKD-DTQAZKPQSA-N","5470472",NA,"PDBC41608","702118","Present"
-"N-(3-Methylbutyl)-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(3-Methylbutyl)-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide","","CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3","POUOCXRKMBDDAH-SFQUDFHCSA-N","5470476",NA,"PDBC41609","702122","Present"
-"N-(3-Methylbutyl)-4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(3-Methylbutyl)-4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide","","CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]","SPIIAAPSHZTYFB-WYMLVPIESA-N","5470478",NA,"PDBC41610","702124","Present"
-"N-(3-Methylbutyl)-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(3-Methylbutyl)-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide","","CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC3=CC=CC=C3C=C2","HVLJYHQCIBHALT-GXDHUFHOSA-N","5470481",NA,"PDBC41611","702127","Present"
-"N-(3-Methylisoxazole-5-yl)-2-[1-(4-fluorobenzyl)-4-methoxy-1H-indole-3-yl]-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(3-Methylisoxazole-5-yl)-2-[1-(4-fluorobenzyl)-4-methoxy-1H-indole-3-yl]-2-oxoacetamide","","CC1=NOC(=C1)NC(=O)C(=O)C2=CN(C3=C2C(=CC=C3)OC)CC4=CC=C(C=C4)F","RNDITTSQGPGIAB-UHFFFAOYSA-N","42624803",NA,"PDBC41612","746058","Present"
-"N-(3-Methylphenyl)-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-sulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-Methylphenyl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-sulfonamide","","CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCOCCOCCOCCO3","WUMWYQXFXMWTPA-UHFFFAOYSA-N","376528",NA,"PDBC41613","657487","Present"
-"N-(3-Methylphenyl)-2,4,7-trinitrofluoren-9-imine","","","","","","","","","","","","","","","","","","","","N-(3-Methylphenyl)-2,4,7-trinitrofluoren-9-imine","","CC1=CC(=CC=C1)N=C2C3=C(C=CC(=C3)[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-]","TXXZCDVOLGIYSQ-UHFFFAOYSA-N","229543",NA,"PDBC41614","23297","Present"
-"N-(3-Methylphenyl)-3-oxo-3-[3-(10H-phenothiazin-10-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]propanamide","","","","","","","","","","","","","","","","","","","","N-(3-Methylphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(CC(=N2)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6","HDNCLLWLPYXHER-UHFFFAOYSA-N","389695",NA,"PDBC41615","686239","Present"
-"N-(3-Methylphenyl)-N-(phenylsulfonyl)glycine","","","","","","","","","","","","","","","","","","","","ADAL1086491","","CC1=CC(=CC=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2","CRRKUZBZMCUHGR-UHFFFAOYSA-N","362733",NA,"PDBC41616","626988","Present"
-"N-(3-Oxo-1$l^{3},2-benziodoxol-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(3-Oxo-1$l^{3},2-benziodoxol-1-yl)propanamide","","CCC(=O)NI1C2=CC=CC=C2C(=O)O1","ICJHHIMYKINGSR-UHFFFAOYSA-N","390371",NA,"PDBC41617","687713","Present"
-"N-(3-Oxo-1,2-oxazolidin-4-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Acetylcycloserine","","CC(=O)NC1CONC1=O","LRLUMFQYCZKIPN-UHFFFAOYSA-N","314476",NA,"PDBC41618","231950","Present"
-"N-(3-Oxo-4,4a,5,6-tetrahydro-2H-thieno[2,3-h]cinnolin-8-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(3-Oxo-2,3,4,4a,5,6-hexahydrothieno[2,3-h]cinnolin-8-yl)acetamide","","CC(=O)NC1=CC2=C(S1)CCC3C2=NNC(=O)C3","KMBRBFWWPWTKCU-UHFFFAOYSA-N","376211",NA,"PDBC41619","656779","Present"
-"N-(3-Phenylallylidene)-9H-fluoren-2-amine","","","","","","","","","","","","","","","","","","","","N-(3-Phenylallylidene)-9H-fluoren-2-amine","","C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC=CC4=CC=CC=C4","KNNZYQMTSPFAGR-NNQNRFHUSA-N","5351660",NA,"PDBC41620","15234","Present"
-"N-(3-Phenylpropyl)-1,2,3-benzotriazin-4-amine","","","","","","","","","","","","","","","","","","","","N-(3-Phenylpropyl)-1,2,3-benzotriazin-4-amine","","C1=CC=C(C=C1)CCCNC2=NN=NC3=CC=CC=C32","HQWLLFQQPGKRBI-UHFFFAOYSA-N","300101",NA,"PDBC41621","174201","Present"
-"N-(3-Quinolylcarbonyl)-N-methyl-L-alaninamide","","","","","","","","","","","","","","","","","","","","N-(3-Quinolylcarbonyl)-N-methyl-L-alaninamide","","CC(C(=O)N)N(C)C(=O)C1=CC2=CC=CC=C2N=C1","BKPOJMXKCQIJAB-UHFFFAOYSA-N","363836",NA,"PDBC41622","629103","Present"
-"N-(3-{(2E)-3-[4-(Diethylamino)phenyl]prop-2-enoyl}phenyl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-{(2E)-3-[4-(diethylamino)phenyl]prop-2-enoyl}phenyl...","","CCN(CC)C1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)NS(=O)(=O)C","UTIXHNGGJDENRC-SDNWHVSQSA-N","54612807",NA,"PDBC41623","749245","Present"
-"N-(4'-Di-2''-chloroethylaminophenyl)-3,5-dimethylbenzoquinoneimine","","","","","","","","","","","","","","","","","","","","2,5-Cyclohexadien-1-one, 4-[[4-[bis(2-chloroethyl)amino]...","","CC1=CC(=NC2=CC=C(C=C2)N(CCCl)CCCl)C=C(C1=O)C","ZRDXRTAXSVPVHX-UHFFFAOYSA-N","116416",NA,"PDBC41624","240529","Present"
-"N-(4'-Hydroxy-3'-methoxy-cinnamoyl)-3-O-methyl-17alpha(amino methyl)estra-1,5(10)-trien-3,17b-diol","","","","","","","","","","","","","","","","","","","","N-(4'-Hydroxy-3'-methoxy-cinnamoyl)-3-O-methyl-17alpha(a...","","CC12CCC3C(C1CCC2(CNC(=O)C=CC4=CC(=C(C=C4)O)OC)O)CCC5=C3C=CC(=C5)OC","ALPYCJKNTCKLGE-JPJKIRGJSA-N","24205448",NA,"PDBC41625","735779","Present"
-"N-(4'-Hydroxy-3'-methoxycinnamoyl)-17a-aminomethyl-estra-1,5(10)-trien-3,17b-diol","","","","","","","","","","","","","","","","","","","","N-(4'-Hydroxy-3'-methoxycinnamoyl)-17a-aminomethyl-estra...","","CC12CCC3C(C1CCC2(CNC(=O)C=CC4=CC(=C(C=C4)O)OC)O)CCC5=C3C=CC(=C5)O","UZUMSBZARFGUGT-ZTCDFVCCSA-N","24205473",NA,"PDBC41626","735946","Present"
-"N-(4,10-Dioxo-[1,2,4]triazino[6,1-b]quinazolin-3-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(4,10-Dioxo-[1,2,4]triazino[6,1-b]quinazolin-3-yl)benzamide","","C1=CC=C(C=C1)C(=O)NN2C=NN3C(=NC4=CC=CC=C4C3=O)C2=O","BEMQOXLEFBLLJX-UHFFFAOYSA-N","389563",NA,"PDBC41627","685869","Present"
-"N-(4,5-Bis(hydroxy(oxido)amino)-2-methoxyphenyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(4,5-Bis(hydroxy(oxido)amino)-2-methoxyphenyl)butanamide","","CCCC(=O)NC1=CC(=C(C=C1OC)[N+](=O)[O-])[N+](=O)[O-]","ZYCBVSIJSINLPA-UHFFFAOYSA-N","354341",NA,"PDBC41628","605763","Present"
-"N-(4,5-Dimethyl-1,3-oxazol-2-yl)-4-[(1,3-dioxoisoindol-2-yl)methylamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4,5-Dimethyl-1,3-oxazol-2-yl)-4-[(1,3-dioxoisoindol-2-yl)methylamino]benzenesulfonamide","","CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O)C","HARRZLXORNVJBA-UHFFFAOYSA-N","45027916",NA,"PDBC41629","740119","Present"
-"N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide","","","","","","","","","","","","","","","","","","","","N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide","","CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)C=C3COC4=CC=CC=C4C3=O)C","UPGLSWSUWFICJA-LICLKQGHSA-N","45028760",NA,"PDBC41630","744065","Present"
-"N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide","","","","","","","","","","","","","","","","","","","","N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide","","CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)C=C3C(=O)C4=C(O3)C=CC(=C4)OC)C","ZUGCFVKVDHHOMR-JMIUGGIZSA-N","45028684",NA,"PDBC41631","743696","Present"
-"N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide","","","","","","","","","","","","","","","","","","","","N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide","","CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)C=C3C(=O)C4=C(O3)C=C(C=C4)OC)C","QLYWGCVOWYAPIA-JMIUGGIZSA-N","45028676",NA,"PDBC41632","743688","Present"
-"N-(4,6-Bis(aminosulfonyl)-3-chloro-2-methylphenyl)-4-chlorobenzamide","","","","","","","","","","","","","","","","","","","","N-(4,6-Bis(aminosulfonyl)-3-chloro-2-methylphenyl)-4-chlorobenzamide","","CC1=C(C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N)NC(=O)C2=CC=C(C=C2)Cl","WPSGQNFKDREQNP-UHFFFAOYSA-N","230723",NA,"PDBC41633","25869","Present"
-"N-(4,6-Dimethyl-2-pyridyl)-5-bromothiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4,6-Dimethyl-2-pyridyl)-5-bromothiophene-2-carboxamide","","CC1=CC(=NC(=C1)NC(=O)C2=CC=C(S2)Br)C","QMSNSTPCFPEKDI-UHFFFAOYSA-N","396664",NA,"PDBC41634","703178","Present"
-"N-(4,6-Dimethyl-2-pyrimidinyl)-4-(2-((9-(2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-4-acridinyl)carbonyl)hydrazino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4,6-Dimethylpyrimidin-2-yl)-4-[2-[4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]carbamoyl]acridin-9-yl]hydrazinyl]benzenesulfonamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NNC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)C","WEWOJNVNZYVRNU-UHFFFAOYSA-N","385794",NA,"PDBC41635","677188","Present"
-"N-(4,6-Dimethyl-2-pyrimidinyl)-4-(2-((9-oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4,6-Dimethylpyrimidin-2-yl)-4-[2-(9-oxo-10H-acridine-4-carbonyl)hydrazinyl]benzenesulfonamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)C","QULAJEOLRFQNKG-UHFFFAOYSA-N","385777",NA,"PDBC41636","677171","Present"
-"N-(4,6-Dimethyl-2-pyrimidinyl)-4-(2-(10-methyl-9(10H)-acridinylidene)hydrazino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4,6-Dimethyl-2-pyrimidinyl)-4-(2-(10-methyl-9(10H)-acridinylidene)hydrazino)benzenesulfonamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C4=CC=CC=C4N(C5=CC=CC=C53)C)C","ZCXDVCZDXCBIPR-UHFFFAOYSA-N","385769",NA,"PDBC41637","677163","Present"
-"N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine","","","","","","","","","","","","","","","","","","","","Guanidine, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenethyl-","","CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)N)C","FVBRWQIUJUHLKQ-UHFFFAOYSA-N","252116",NA,"PDBC41638","73346","Present"
-"N-(4,6-Dimethylpyrimidin-2-yl)-4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4,6-Dimethylpyrimidin-2-yl)-4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]benzenesulfonamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NNCCO)C","XEWUQXLYVKSWLS-UHFFFAOYSA-N","384537",NA,"PDBC41639","674508","Present"
-"N-(4,6-Dimethylpyrimidin-2-yl)-4-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4,6-Dimethylpyrimidin-2-yl)-4-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]benzenesulfonamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO)C","PWCALFKUVLRHKY-UHFFFAOYSA-N","370665",NA,"PDBC41640","644041","Present"
-"N-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-1-yl)-2-(2-methylphenoxy)propanamide","","","","","","","","","","","","","","","","","","","","N-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-1-yl)-2-(2-methylphenoxy)propanamide","","CC1=CC=CC=C1OC(C)C(=O)NN2C(=O)CC(=O)NC2=S","UHXPGRFLRUYULT-UHFFFAOYSA-N","5470731",NA,"PDBC41641","704803","Present"
-"N-(4,6-Dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)-2-(2-methylphenoxy)propanamide","","","","","","","","","","","","","","","","","","","","N-(4,6-Dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)-2-(2-methylphenoxy)propanamide","","CC1=CC=CC=C1OC(C)C(=O)NN2C(=O)CC(=O)N(C2=S)C3=CC=CC=C3","CSNKEOFAOMRFPN-UHFFFAOYSA-N","397269",NA,"PDBC41642","704797","Present"
-"N-(4,7-Dihydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-2,2-dimethylchromane-6-carboxamide","","","","","","","","","","","","","","","","","","","","6-Chromancarboxamide, N-(4,7-dihydroxy-8-methyl-2-oxo-2H...","","CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC4=C(C=C3)OC(CC4)(C)C)O","MWCZKKARWNYYQC-UHFFFAOYSA-N","54688361",NA,"PDBC41643","5157","Present"
-"N-(4,8-Dichloro-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4,8-Dichloro-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide","","CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C(=C13)Cl)OC)C(=C(C(=C2Cl)OC)OC)OC","YCIZNFRTSAERPZ-UHFFFAOYSA-N","373003",NA,"PDBC41644","648791","Present"
-"N-(4-(((2-Chlorophenyl)imino)methyl)phenyl)-N-(2-cyanoethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-(((2-Chlorophenyl)imino)methyl)phenyl)-N-(2-cyanoethyl)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=NC3=CC=CC=C3Cl","CAIIALRYULFLOG-UHFFFAOYSA-N","372595",NA,"PDBC41645","647956","Present"
-"N-(4-(((3,4-Dimethyl-5-isoxazolyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(((3,4-Dimethyl-5-isoxazolyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide","","CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5C4=O","XFAODVZUFBJNCF-UHFFFAOYSA-N","385765",NA,"PDBC41646","677159","Present"
-"N-(4-(((3-Amino-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)glutamic acid","","","","","","","","","","","","","","","","","","","","N-(4-(((3-Amino-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)glutamic acid","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)CNC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O)N=C2N","WNFGDTRSSXVNNW-UHFFFAOYSA-N","379033",NA,"PDBC41647","662795","Present"
-"N-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)C","SNRBRXGPLAOXTB-UHFFFAOYSA-N","365414",NA,"PDBC41648","633034","Present"
-"N-(4-(((5-Methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(((5-Methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5C4=O","VMJYVQFRLNXXTM-UHFFFAOYSA-N","385764",NA,"PDBC41649","677158","Present"
-"N-(4-(((6-((4-(Acetylamino)anilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)amino)sulfonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[[3-[(4-Acetamidophenyl)sulfonylamino]-2-methyl-4-oxoquinazolin-6-yl]sulfonylamino]phenyl]acetamide","","CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C)C(=O)N1NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C","YBSUTNRUYJLSIC-UHFFFAOYSA-N","390427",NA,"PDBC41650","687781","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-1-chloro-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","1-Chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl)C","LZHHBZOAGQOYSC-UHFFFAOYSA-N","365419",NA,"PDBC41651","633039","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide","","C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","VWLNAVUASYRUIG-UHFFFAOYSA-N","370668",NA,"PDBC41652","644044","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-6-chloro-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","6-Chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl)C","PESIWVWBLGVFQM-UHFFFAOYSA-N","365427",NA,"PDBC41653","633047","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","RFIKRDGAZUMLKQ-UHFFFAOYSA-N","385787",NA,"PDBC41654","677181","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(2-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[2-[4-(diaminomethylideneamino)sulfonylphenyl]hydrazinyl]acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NNC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","MBKQJLTXPVDTPV-UHFFFAOYSA-N","385792",NA,"PDBC41655","677186","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(2-(4-(aminosulfonyl)phenyl)hydrazino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Carbamimidoylsulfamoyl)phenyl]-9-[2-(4-sulfamoylphenyl)hydrazino]acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NNC5=CC=C(C=C5)S(=O)(=O)N","DETPERXTKQOXAT-UHFFFAOYSA-N","385793",NA,"PDBC41656","677187","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-2-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","SCVSTVLLILBLTF-UHFFFAOYSA-N","385756",NA,"PDBC41657","677150","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","LLYHIYQKZKAGJP-UHFFFAOYSA-N","365410",NA,"PDBC41658","633030","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-2-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","SMRNJCIBUNQURP-UHFFFAOYSA-N","385757",NA,"PDBC41659","677151","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(aminosulfonyl)anilino)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(aminosulfonyl)anilino)-2-acridinecarboxamide","","C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N","PBFAAKVRCJLETB-UHFFFAOYSA-N","385755",NA,"PDBC41660","677149","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(aminosulfonyl)anilino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(aminosulfonyl)anilino)-4-acridinecarboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N","RPCJUOFIXNSZBX-UHFFFAOYSA-N","365409",NA,"PDBC41661","633029","Present"
-"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","YOYVUBMPAWCSOY-UHFFFAOYSA-N","385763",NA,"PDBC41662","677157","Present"
-"N-(4-(((Dimethylamino)methylene)amino)phenyl)-N-methylacetamide","","","","","","","","","","","","","","","","","","","","N-(4-(((Dimethylamino)methylene)amino)phenyl)-N-methylacetamide","","CC(=O)N(C)C1=CC=C(C=C1)N=CN(C)C","FPRDVPUSMFJIDA-UHFFFAOYSA-N","380202",NA,"PDBC41663","665669","Present"
-"N-(4-((1-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-5-oxo-2-thioxo-4-imidazolidinylidene)methyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(E)-[1-[(Z)-(2,4-Dioxochromen-3-ylidene)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","SYBOIIILYUMIDY-KQRVFROYSA-N","6477394",NA,"PDBC41664","658286","Present"
-"N-(4-((2,6-Dihydroxy-4-pyrimidinyl)amino)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((2,6-Dihydroxy-4-pyrimidinyl)amino)phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2","KSEHFHOBEJUDDZ-UHFFFAOYSA-N","385854",NA,"PDBC41665","677253","Present"
-"N-(4-((2-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)hydrazino)sulfonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[[(E)-1-(1,3-Dioxoisoindol-2-yl)propan-2-ylideneamino]sulfamoyl]phenyl]acetamide","","CC(=NNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C)CN2C(=O)C3=CC=CC=C3C2=O","YHPNVCYNJVSXGT-CIAFOILYSA-N","9555859",NA,"PDBC41666","643507","Present"
-"N-(4-((2-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)hydrazino)sulfonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((2-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)hydrazino)sulfonyl)phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CCN2C(=O)C3=CC=CC=C3C2=O","UEYDEMUWHMOJRO-VXLYETTFSA-N","9555826",NA,"PDBC41667","637084","Present"
-"N-(4-((2-(2-Hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)hydrazino)sulfonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((2-(2-Hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)hydrazino)sulfonyl)phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C(=CC(=C2)I)[N+](=O)[O-])O","JFEXLGYUCKKLPV-CAOOACKPSA-N","135429936",NA,"PDBC41668","620306","Present"
-"N-(4-((2-(4-Chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl)-3-methylphenyl)-N-(2-cyanoethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[(Z)-[2-(4-Chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-3-methylphenyl]-N-(2-cyanoethyl)benzenesulfonamide","","CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C4=CC=C(C=C4)Cl","SGPCTWSCYPAHIE-ULJHMMPZSA-N","6477334",NA,"PDBC41669","645660","Present"
-"N-(4-((2-Benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl)phenyl)-N-(2-cyanoethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-((2-Benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl)phenyl)-N-(2-cyanoethyl)benzenesulfonamide","","C1=CC=C(C=C1)CC2=NC(=CC3=CC=C(C=C3)N(CCC#N)S(=O)(=O)C4=CC=CC=C4)C(=O)O2","MAXPNGCWIHJGTL-MOHJPFBDSA-N","6071150",NA,"PDBC41670","645662","Present"
-"N-(4-((2-Hydroxy-4-methyl-6-quinolinyl)methyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((2-Hydroxy-4-methyl-6-quinolinyl)methyl)phenyl)acetamide","","CC1=CC(=O)NC2=C1C=C(C=C2)CC3=CC=C(C=C3)NC(=O)C","LEUFIPGJGDJGLA-UHFFFAOYSA-N","269210",NA,"PDBC41671","109816","Present"
-"N-(4-((2-Methyl-2-((4-methylphenyl)sulfonyl)hydrazino)sulfonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((2-Methyl-2-((4-methylphenyl)sulfonyl)hydrazino)sulfonyl)phenyl)acetamide","","CC1=CC=C(C=C1)S(=O)(=O)N(C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C","IWGZYFJCUZMFLC-UHFFFAOYSA-N","367378",NA,"PDBC41672","637067","Present"
-"N-(4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoyl)glutamic acid","","","","","","","","","","","","","","","","","","","","N-(4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoyl)glutamic acid","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C4=CC=CS4","SIVCJCRKNZPKFJ-UHFFFAOYSA-N","369886",NA,"PDBC41673","642080","Present"
-"N-(4-((4,6-Dihydroxy-1,3,5-triazin-2-yl)amino)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((4,6-Dihydroxy-1,3,5-triazin-2-yl)amino)phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)NC2=NC(=O)NC(=O)N2","BFBIUZPVVRCWAX-UHFFFAOYSA-N","389522",NA,"PDBC41674","685813","Present"
-"N-(4-((4-((2-Hydroxy-1-naphthyl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[5-Methyl-3-oxo-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1H-pyrazole-2-carbonyl]phenyl]acetamide","","CC1=C(C(=O)N(N1)C(=O)C2=CC=C(C=C2)NC(=O)C)C=C3C(=O)C=CC4=CC=CC=C43","XRCKRMGRYQIBON-BKUYFWCQSA-N","5465546",NA,"PDBC41675","652214","Present"
-"N-(4-((4-(2-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((4-(2-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","CC1=NN(C(=O)C1=CC2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)NC(=O)C","BIEDPDBRUDYKKE-BOPFTXTBSA-N","135499342",NA,"PDBC41676","652205","Present"
-"N-(4-((4-(2-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((4-(2-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","CC1=NN(C(=O)C1=CC2=CC=CC=C2OC)C(=O)C3=CC=C(C=C3)NC(=O)C","JUSCYCOZZBMGHS-PDGQHHTCSA-N","5467440",NA,"PDBC41677","652208","Present"
-"N-(4-((4-(3,4-Dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazole-1-carbonyl]phenyl]acetamide","","CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=C(C=C3)NC(=O)C","RPKJQAHOFWQAHG-WQRHYEAKSA-N","5467445",NA,"PDBC41678","652213","Present"
-"N-(4-((4-(3-(Hydroxy(oxido)amino)benzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4Z)-3-Methyl-4-[(3-nitrophenyl)methylidene]-5-oxopyrazole-1-carbonyl]phenyl]acetamide","","CC1=NN(C(=O)C1=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)C","SREFKISWWUSPIG-WQRHYEAKSA-N","5467443",NA,"PDBC41679","652211","Present"
-"N-(4-((4-(3-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((4-(3-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","CC1=NN(C(=O)C1=CC2=CC(=CC=C2)O)C(=O)C3=CC=C(C=C3)NC(=O)C","YEEGYRUGKOEWMY-WQRHYEAKSA-N","5467441",NA,"PDBC41680","652209","Present"
-"N-(4-((4-(3-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((4-(3-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OC)C(=O)C3=CC=C(C=C3)NC(=O)C","ZTOPGTLHZIKHEG-UNOMPAQXSA-N","5467442",NA,"PDBC41681","652210","Present"
-"N-(4-((4-(4-Hydroxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4Z)-4-[(4-Hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazole-1-carbonyl]phenyl]acetamide","","CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)O)OC)C(=O)C3=CC=C(C=C3)NC(=O)C","NLCSYPHRCRITDE-YVLHZVERSA-N","135499344",NA,"PDBC41682","652212","Present"
-"N-(4-((4-(4-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((4-(4-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)NC(=O)C","WKWZFIXERCCQLF-WQRHYEAKSA-N","135499343",NA,"PDBC41683","652207","Present"
-"N-(4-((4-(4-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((4-(4-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)NC(=O)C","CAMRBUONNMLONU-UNOMPAQXSA-N","5467439",NA,"PDBC41684","652206","Present"
-"N-(4-((4-Anilino-1-benzyl-4-piperidinyl)ethynyl)-1-benzyl-4-piperidinyl)-N-phenylamine","","","","","","","","","","","","","","","","","","","","N-(4-((4-Anilino-1-benzyl-4-piperidinyl)ethynyl)-1-benzyl-4-piperidinyl)-N-phenylamine","","C1CN(CCC1(C#CC2(CCN(CC2)CC3=CC=CC=C3)NC4=CC=CC=C4)NC5=CC=CC=C5)CC6=CC=CC=C6","HUMBBWRZWQOMRB-UHFFFAOYSA-N","379997",NA,"PDBC41685","665299","Present"
-"N-(4-((5-Oxo-3-(2-phenylvinyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-6(5H)-ylidene)methyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(Z)-[5-Oxo-3-[(E)-2-phenylethenyl]-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-ylidene]methyl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C=CC4=CC=CC=C4","KBNBLYDQMCBEMG-KTYKIUSQSA-N","6477126",NA,"PDBC41686","637610","Present"
-"N-(4-((5-Oxo-3-(3-pyridinyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-6(5H)-ylidene)methyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((5-Oxo-3-(3-pyridinyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-6(5H)-ylidene)methyl)phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CN=CC=C4","OORVQTNEXRBQGH-DHDCSXOGSA-N","5388667",NA,"PDBC41687","637674","Present"
-"N-(4-((6-Chloro-2-methoxy-9-acridinyl)thio)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-((6-Chloro-2-methoxy-9-acridinyl)thio)phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)SC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC","PWYMFIRPGIJITI-UHFFFAOYSA-N","371163",NA,"PDBC41688","645164","Present"
-"N-(4-((9-Acridinylmethyl)amino)-3-methoxyphenyl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-((9-Acridinylmethyl)amino)-3-methoxyphenyl)methanesulfonamide","","COC1=C(C=CC(=C1)NS(=O)(=O)C)NCC2=C3C=CC=CC3=NC4=CC=CC=C42","NMDJDNDZHVPDQQ-UHFFFAOYSA-N","363146",NA,"PDBC41689","627730","Present"
-"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-3-oxo-3H-benzo[f]chromene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-3-oxo-3H-benzo[f]chromene-2-carboxamide","","C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=CC7=CC=CC=C76)OC5=O","GZPNMFVPEZNCRB-UHFFFAOYSA-N","384972",NA,"PDBC41690","675802","Present"
-"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6,8-dibromo-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6,8-dibromo-2-oxo-2H-chromene-3-carboxamide","","C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=CC(=CC(=C6OC5=O)Br)Br","PHTWCQYZNCIAOP-UHFFFAOYSA-N","384967",NA,"PDBC41691","675797","Present"
-"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-(hydroxy(oxido)amino)-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-(hydroxy(oxido)amino)-2-oxo-2H-chromene-3-carboxamide","","C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=CC(=C6)[N+](=O)[O-])OC5=O","RNMNVICFUYUJKU-UHFFFAOYSA-N","384964",NA,"PDBC41692","675794","Present"
-"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-chloro-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-chloro-2-oxo-2H-chromene-3-carboxamide","","C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=CC(=C6)Cl)OC5=O","GPFYVQKYPVISDP-UHFFFAOYSA-N","384966",NA,"PDBC41693","675796","Present"
-"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxamide","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)O","CHAXRYPSHJXTAV-UHFFFAOYSA-N","5466103",NA,"PDBC41694","675800","Present"
-"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-methyl-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-methyl-2-oxo-2H-chromene-3-carboxamide","","CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5","GTNFTNQCHVABPX-UHFFFAOYSA-N","384965",NA,"PDBC41695","675795","Present"
-"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-3-carboxamide","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5","YBOKTWPVPPMHFT-UHFFFAOYSA-N","384968",NA,"PDBC41696","675798","Present"
-"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-3-carboxamide","","C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=C(C=C6)O)OC5=O","WWGRENIEFJNRSX-UHFFFAOYSA-N","5466102",NA,"PDBC41697","675799","Present"
-"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-8-allyl-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-8-allyl-2-oxo-2H-chromene-3-carboxamide","","C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5","DGOJDXCXQFCQTB-UHFFFAOYSA-N","384971",NA,"PDBC41698","675801","Present"
-"N-(4-(1-Aziridinyl)butyl)-1,3-propanediamine","","","","","","","","","","","","","","","","","","","","N-(4-Aziridinylbutyl)-1,3-diaminopropane","","C1CN1CCCCNCCCN","JVMUEYFSUCQOKO-UHFFFAOYSA-N","160395",NA,"PDBC41699","658397","Present"
-"N-(4-(2-(1-Methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)hydrazino)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-(2-(1-Methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)hydrazino)phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)NNC2=CC(=O)N(C(=O)N2)C","MIADRJYTWABRAR-UHFFFAOYSA-N","385867",NA,"PDBC41700","677266","Present"
-"N-(4-(2-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydrazono-1-hydroxyethyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-(2-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydrazono-1-hydroxyethyl)phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C(C(=NN)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","WRGNQKACZMRGKU-BUVRLJJBSA-N","135499268",NA,"PDBC41701","647590","Present"
-"N-(4-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-methyl-4,5-dihydro-1H-imidazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-methyl-4,5-dihydro-1H-imidazol-2-yl)acetamide","","CC(=O)NC1=NC(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)CN1C","OVTDIDJXXXQFFO-BJMVGYQFSA-N","5467667",NA,"PDBC41702","657708","Present"
-"N-(4-(3,5-Diethyl-4-((4-(4-methyl-2-(3-pyridinyl)-1,3-thiazol-5-yl)-2,4-dioxobutanoyl)amino)benzyl)-2,6-diethylphenyl)-4-(4-methyl-2-(3-pyridinyl)-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-[4-[[3,5-Diethyl-4-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,4-dioxobutanoyl]amino]phenyl]methyl]-2,6-diethylphenyl]-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","CCC1=CC(=CC(=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)C3=CN=CC=C3)C)CC)CC4=CC(=C(C(=C4)CC)NC(=O)C(=O)CC(=O)C5=C(N=C(S5)C6=CN=CC=C6)C)CC","QIFYVENDKZLPGG-UHFFFAOYSA-N","373335",NA,"PDBC41703","649551","Present"
-"N-(4-(3-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-3-(((4-methylphenyl)sulfonyl)hydrazono)-1-propenyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(E,3E)-3-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-[(4-methylphenyl)sulfonylhydrazinylidene]prop-1-enyl]phenyl]acetamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C=CC2=CC=C(C=C2)NC(=O)C)C3=C(N=C(S3)NNC(=O)C)C","WDDXBLOZHHJPEP-IWOQJKGHSA-N","135499280",NA,"PDBC41704","647611","Present"
-"N-(4-(3-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(E)-3-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]acetamide","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)NC(=O)C","PMOJGJXLABQDBL-OBGWFSINSA-N","6181395",NA,"PDBC41705","640589","Present"
-"N-(4-(3-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-(3-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acetamide","","CC1=C(SC(=N1)C(=S)N)C(=O)C=CC2=CC=C(C=C2)NC(=O)C","HXYCAOMIAVRGGO-VMPITWQZSA-N","6067898",NA,"PDBC41706","640576","Present"
-"N-(4-(3-(4-Chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3,5-bis(trifluoromethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-p...","","C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","JQFVQKILHHEDQD-UHFFFAOYSA-N","56935458",NA,"PDBC41707","753184","Present"
-"N-(4-(3-(4-Methyl-2-(3-pyridinyl)-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-(3-(4-Methyl-2-(3-pyridinyl)-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acetamide","","CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)NC(=O)C","VPCKWAHTVFAAAT-JXMROGBWSA-N","5864461",NA,"PDBC41708","640577","Present"
-"N-(4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2","FLRZDVVHCZSOHW-UHFFFAOYSA-N","384819",NA,"PDBC41709","675271","Present"
-"N-(4-(4-(4-(Hydroxy(oxido)amino)phenyl)-1-oxido-2,3-dihydro-1,5-benzothiazepin-2-yl)phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-(4-(4-(Hydroxy(oxido)amino)phenyl)-1-oxido-2,3-dihydro-1,5-benzothiazepin-2-yl)phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2=O)C4=CC=C(C=C4)[N+](=O)[O-]","HTXFPYPUHGNXTR-UHFFFAOYSA-N","364774",NA,"PDBC41710","631533","Present"
-"N-(4-(4-(Bis(3-iminopropyl)amino)benzylidene)-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)-4-chlorobenzamide","","","","","","","","","","","","","","","","","","","","N-[(5E)-5-[[4-[Bis(3-iminopropyl)amino]phenyl]methylidene]-2-phenyl-4H-imidazol-3-yl]-4-chlorobenzamide","","C1C(=CC2=CC=C(C=C2)N(CCC=N)CCC=N)N=C(N1NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","QIMMSMKMTBYYAQ-GZMHVXFLSA-N","5466813",NA,"PDBC41711","643598","Present"
-"N-(4-(4-Chlorophenyl)-1,3-thiazol-2-yl)-2-(4-morpholinyl)acetamide","","","","","","","","","","","","","","","","","","","","4-Morpholineacetamide, N-[4-(4-chlorophenyl)-2-thiazolyl]-","","C1COCCN1CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl","QGZPYMJDEGDPNO-UHFFFAOYSA-N","334459",NA,"PDBC41712","339675","Present"
-"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-(4-Chlorophenyl)-3,5-dicyano-2-(4-methylphenyl)-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=C(C=C4)Cl)C#N","YARGVVYPYPHQLV-UHFFFAOYSA-N","390296",NA,"PDBC41713","687588","Present"
-"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C#N","YIDCWFZNWLFIML-UHFFFAOYSA-N","390287",NA,"PDBC41714","687579","Present"
-"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-hydroxy-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-hydroxy-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)O","FNXXYNFLDWNTAV-UHFFFAOYSA-N","390290",NA,"PDBC41715","687582","Present"
-"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)S","WFLNPUQNEBBGRN-UHFFFAOYSA-N","390265",NA,"PDBC41716","687557","Present"
-"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)S","TXLWGCKNUAZOLH-UHFFFAOYSA-N","390264",NA,"PDBC41717","687556","Present"
-"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-oxo-6-phenyl-1(2H)-pyridinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-oxo-6-phenyl-1(2H)-pyridinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)C4=CC=CC=C4","LXTSEGOGQCXIED-UHFFFAOYSA-N","390276",NA,"PDBC41718","687568","Present"
-"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide","","C1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C#N","YHJBZVKHAICGBQ-UHFFFAOYSA-N","390275",NA,"PDBC41719","687567","Present"
-"N-(4-(4-Ethyl-1-piperazinyl)phenyl)-2-methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-amine","","","","","","","","","","","","","","","","","","","","N-(4-(4-Ethyl-1-piperazinyl)phenyl)-2-methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-amine","","CCN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=NC=C3)C=CC5=NN(N=C54)C","LJZKRWIGXALBSZ-UHFFFAOYSA-N","371633",NA,"PDBC41720","646034","Present"
-"N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea","","","","","","","","","","","","","","","","","","","","Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3- chloro...","","C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)[N+](=O)[O-]","WKXWMGOTZJGIIK-UHFFFAOYSA-N","128803",NA,"PDBC41721","624548","Present"
-"N-(4-(6-Bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hexopyranosylamine","","","","","","","","","","","","","","","","","","","","NSC665510///NSC665512","","CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)NC4C(C(C(C(O4)CO)O)O)O","SGIQWIIDVMJDOA-UHFFFAOYSA-N","380112",NA,"PDBC41722","665510///665512","Present"
-"N-(4-(6-Bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)pentopyranosylamine","","","","","","","","","","","","","","","","","","","","NSC665514///NSC665516","","CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)NC4C(C(C(CO4)O)O)O","CXFDFSHVNKWFIH-UHFFFAOYSA-N","380114",NA,"PDBC41723","665514///665516","Present"
-"N-(4-(6-Methyl-3-pyridinyl)phenyl)-9-acridinamine","","","","","","","","","","","","","","","","","","","","N-(4-(6-Methyl-3-pyridinyl)phenyl)-9-acridinamine","","CC1=NC=C(C=C1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53","UCBSTJJOUMTSJA-UHFFFAOYSA-N","353840",NA,"PDBC41724","603098","Present"
-"N-(4-(Acetylamino)butyl)-N-(3-(acetylamino)propyl)-2-(((5-(dimethylamino)-1-naphthyl)sulfonyl)amino)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Acetamidobutyl)-N-(3-acetamidopropyl)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]acetamide","","CC(=O)NCCCCN(CCCNC(=O)C)C(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C","RRGOVGGLPPWOIR-UHFFFAOYSA-N","391137",NA,"PDBC41725","689863","Present"
-"N-(4-(Allyl(methylsulfonyl)amino)-5-(hydroxy(oxido)amino)-2-methoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-(Allyl(methylsulfonyl)amino)-5-(hydroxy(oxido)amino)-2-methoxyphenyl)acetamide","","CC(=O)NC1=CC(=C(C=C1OC)N(CC=C)S(=O)(=O)C)[N+](=O)[O-]","MNYBMKNJTAWIOC-UHFFFAOYSA-N","393315",NA,"PDBC41726","694980","Present"
-"N-(4-(Aminosulfonyl)phenyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(Aminosulfonyl)phenyl)-4-acridinecarboxamide","","C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N","HYUVOKSCGZDKAV-UHFFFAOYSA-N","370667",NA,"PDBC41727","644043","Present"
-"N-(4-(Aminosulfonyl)phenyl)-9-(2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[2-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-(4-sulfamoylphenyl)acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)C","KEBNCKUSOZYVCY-UHFFFAOYSA-N","385781",NA,"PDBC41728","677175","Present"
-"N-(4-(Aminosulfonyl)phenyl)-9-(2-(4-(aminosulfonyl)phenyl)hydrazino)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-(Aminosulfonyl)phenyl)-9-(2-(4-(aminosulfonyl)phenyl)hydrazino)-4-acridinecarboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NNC5=CC=C(C=C5)S(=O)(=O)N","QQSKZGNXDLBLBX-UHFFFAOYSA-N","385780",NA,"PDBC41729","677174","Present"
-"N-(4-(Aminosulfonyl)phenyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-2-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","9-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-2-carboxamide","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N","MJICNSBAFUOGBG-UHFFFAOYSA-N","385754",NA,"PDBC41730","677148","Present"
-"N-(4-(Cyclohexylmethyl)cyclohexyl)-4,5-dihydro-1,3-oxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-(Cyclohexylmethyl)cyclohexyl)-4,5-dihydro-1,3-oxazol-2-amine","","C1CCC(CC1)CC2CCC(CC2)NC3=NCCO3","OIOMLUHKIJXKNB-UHFFFAOYSA-N","379668",NA,"PDBC41731","664546","Present"
-"N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide monohydrochloride","","","","","","","","","","","","","","","","","","","","2-Anthracenecarboxamide, N-[4-(diethylamino)-1-methylbut...","","CCN(CC)CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O.Cl","YUZNGCKGMHDGCG-UHFFFAOYSA-N","149896",NA,"PDBC41732","331757","Present"
-"N-(4-(Dihydroxy(oxido)stibino)phenyl)benzamide","","","","","","","","","","","","","","","","","","","","Compound 15596","","C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[Sb](=O)(O)O","HCDUYTYPYMVCOP-UHFFFAOYSA-L","225805",NA,"PDBC41733","15596","Present"
-"N-(4-(Dimethylamino)-5-(((dimethylamino)carbothioyl)imino)-1,2,4-dithiazolidin-3-ylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","(3Z)-3-[(5Z)-5-(Benzenesulfonylimino)-4-(dimethylamino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea","","CN(C)C(=S)N=C1N(C(=NS(=O)(=O)C2=CC=CC=C2)SS1)N(C)C","IXTLPIZOWXPZND-DZDAAMPGSA-N","9569870",NA,"PDBC41734","622606","Present"
-"N-(4-Acetamidophenyl)-2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzamide","","","","","","","","","","","","","","","","","","","","N-(4-Acetamidophenyl)-2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzamide","","CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3","YBJHSBXROALASZ-UHFFFAOYSA-N","402419",NA,"PDBC41735","716350","Present"
-"N-(4-Acetylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-phenyl-5-hexenamide","","","","","","","","","","","","","","","","","","","","N-(4-Acetylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-phenyl-5-hexenamide","","CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C=CC4=CC=CC=C4","QCORVSOHHMRPAJ-LFIBNONCSA-N","5781682",NA,"PDBC41736","644752","Present"
-"N-(4-Acetylphenyl)-2-((5-methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Acetylphenyl)-2-[(5-methyl-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide","","CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)C(=O)C)SC(=S)N2C4=CC=CC=C4","USPZUWKJEBBIEV-UHFFFAOYSA-N","378703",NA,"PDBC41737","661808","Present"
-"N-(4-Acetylphenyl)-2-((aminocarbonyl)hydrazono)-3-cyano-5,5-dimethyl-6-oxohexanamide","","","","","","","","","","","","","","","","","","","","N-(4-Acetylphenyl)-2-((aminocarbonyl)hydrazono)-3-cyano-5,5-dimethyl-6-oxohexanamide","","CC(=O)C1=CC=C(C=C1)NC(=O)C(=NNC(=O)N)C(CC(C)(C)C=O)C#N","JXQAYEPFUXEYML-JCMHNJIXSA-N","5933350",NA,"PDBC41738","641004","Present"
-"N-(4-Acetylphenyl)-3-cyano-5,5-dimethyl-2,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N-(4-Acetylphenyl)-3-cyano-5,5-dimethyl-2,6-dioxohexanamide","","CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C(CC(C)(C)C=O)C#N","QNEAMJKVEWSQEJ-UHFFFAOYSA-N","369557",NA,"PDBC41739","641421","Present"
-"N-(4-Acetylphenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(4-acetylphenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-met...","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(=O)C(=O)NC5=CC=C(C=C5)C(=O)C","NJZIHRRKPQGQLA-UHFFFAOYSA-N","370969",NA,"PDBC41740","644774","Present"
-"N-(4-Acetylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(4-Acetylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC(=C(C=C4)Cl)Cl","FHVIPLRTYBLADV-UHFFFAOYSA-N","370984",NA,"PDBC41741","644790","Present"
-"N-(4-Acetylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(4-Acetylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S","SADAHALTPHCMFL-UHFFFAOYSA-N","3000678",NA,"PDBC41742","642047","Present"
-"N-(4-Amino-2-chlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-Amino-2-chlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(C=C2)N)Cl)S(=O)(=O)C3=CC=CC=C3","FAYLEAJHBNHJLN-UHFFFAOYSA-N","261838",NA,"PDBC41743","94810","Present"
-"N-(4-Amino-2-methoxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentopyranosylamine","","","","","","","","","","","","","","","","","","","","NSC655154///NSC655155","","CN1C(=O)C(=C(N=C1OC)N)NC2C(C(C(CO2)O)O)O","PGVODIOYTVZUKM-UHFFFAOYSA-N","375432",NA,"PDBC41744","655154///655155","Present"
-"N-(4-Amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)acetamide","","CC(=O)NC1=C(N=C(N(C1=O)C)OC)N","NHONTPHYBFKACM-UHFFFAOYSA-N","360601",NA,"PDBC41745","622776","Present"
-"N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminoethanesulfonic acid","","","","","","","","","","","","","","","","","","","","2-[N-(4-Amino-4-deoxy-N10-methylpteroyl)amino]ethanesulf...","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCS(=O)(=O)O","HFSREEVSCDYOCF-UHFFFAOYSA-N","393793",NA,"PDBC41746","696561","Present"
-"N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminomethanesulfonic acid","","","","","","","","","","","","","","","","","","","","N-(4-Amino-4-deoxy-N10-methylpteroyl)aminomethanesulfoni...","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCS(=O)(=O)O","HCZDNAFRBKRHGB-UHFFFAOYSA-N","393795",NA,"PDBC41747","696563","Present"
-"N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid","","","","","","","","","","","","","","","","","","","","3-[N-(4-Amino-4-deoxy-N10-methylpteroyl)amino]propane-su...","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCCS(=O)(=O)O","ZWNOUWBCPHEYMA-UHFFFAOYSA-N","393794",NA,"PDBC41748","696562","Present"
-"N-(4-Amino-4-deoxy-N10-methypteroyl)-D,L-2-amino-4-phosphono-butanoic acid","","","","","","","","","","","","","","","","","","","","N-(4-Amino-4-deoxy-N10-methypteroyl)-D,L-2-amino-4-phosp...","","CN(CC1=CN=C2C(=N1)C(=NN(N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCP(=O)(O)O)C(=O)O","TWVXIMJTYAKSDP-UHFFFAOYSA-N","135489907",NA,"PDBC41749","696560","Present"
-"N-(4-Amino-4-deoxy-N10-methypteroyl)-L-homocysteic acid","","","","","","","","","","","","","","","","","","","","N-(4-Amino-4-deoxy-N10-methypteroyl)-L-homocysteic acid","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCS(=O)(=O)O)C(=O)O","AZBMALLCUFVCHQ-ZDUSSCGKSA-N","6712549",NA,"PDBC41750","696559","Present"
-"N-(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-1,3-dihydro-2H-isoindol-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-1,3-dihydro-2H-isoindol-2-yl)benzamide","","C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)NC(=O)C5=CC=CC=C5)N)C#N","TYWHVBLERGQASI-UHFFFAOYSA-N","393972",NA,"PDBC41751","697044","Present"
-"N-(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamide","","CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)NC(=O)C3=CC=CC=C3)C","NMTMSJYRUVMMEZ-UHFFFAOYSA-N","393969",NA,"PDBC41752","697041","Present"
-"N-(4-Aminobutyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(4-Aminobutyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride","","CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCN)OCCCN)C.Cl","ZSLMGTJFODQNKQ-UHFFFAOYSA-N","396612",NA,"PDBC41753","703116","Present"
-"N-(4-Aminobutyl)-N-(3-aminopropyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(4-Aminobutyl)-N-(3-aminopropyl)benzamide","","C1=CC=C(C=C1)C(=O)N(CCCCN)CCCN","GCIAPIXVBLMJKR-UHFFFAOYSA-N","389625",NA,"PDBC41754","685971","Present"
-"N-(4-Aminobutyldiazenyl)-4-methylaniline","","","","","","","","","","","","","","","","","","","","N-(4-Aminobutyldiazenyl)-4-methylaniline","","CC1=CC=C(C=C1)NN=NCCCCN","YIOSPWSCVFIQNX-UHFFFAOYSA-N","388133",NA,"PDBC41755","682623","Present"
-"N-(4-Aminocyclohexyl)-N'-[6-(2-hydroxyphenyl)-3-pyridinylmethyl]-9-cyclopentyl-9H-purine-2,6-diamine","","","","","","","","","","","","","","","","","","","","2-[5-[[[2-[(trans-4-aminocyclohexyl)amino]-9-cyclopentyl...","","C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=CN=C(C=C5)C6=CC=CC=C6O","UVKLAINVJNUJNX-UHFFFAOYSA-N","136219283",NA,"PDBC41756","787977","Present"
-"N-(4-Aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-(4-Aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide","","C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N","KCWZDFHMODGEBY-UHFFFAOYSA-N","24205282",NA,"PDBC41757","734945","Present"
-"N-(4-Benzylphenyl)-3-(dimethylaminodiazenyl)indazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-benzylphenyl)-3-(3,3-dimethyltriaz-1-en-1-yl)-1H-in...","","CN(C)N=NC1=NN(C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CC4=CC=CC=C4","CMFKSYYWGQSJRM-UHFFFAOYSA-N","155815970",NA,"PDBC41758","765771","Present"
-"N-(4-Bromo-1-naphthyl)-1-hydroxy-2-naphthamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromonaphthalen-1-yl)-1-hydroxy-2-naphthamide","","C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=C(C4=CC=CC=C43)Br","FXYXGRSAQZGIOS-UHFFFAOYSA-N","353380",NA,"PDBC41759","601359","Present"
-"N-(4-Bromo-2,6-dimethylphenyl)-2-(5-((1,3-dioxo-2,3-dihydro-1H-inden-2-yl)methyl)-2,2-dimethyl-4,6-dioxocyclohexyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromo-2,6-dimethylphenyl)-2-[5-[(1,3-dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-2-oxoacetamide","","CC1=CC(=CC(=C1NC(=O)C(=O)C2C(=O)C(C(=O)CC2(C)C)CC3C(=O)C4=CC=CC=C4C3=O)C)Br","NRIWQIYYJNOLDK-UHFFFAOYSA-N","373469",NA,"PDBC41760","649825","Present"
-"N-(4-Bromo-2,6-dimethylphenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromo-2,6-dimethylphenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2,4-dioxobutanamide","","CC1=CC(=CC(=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C)C)Br","XTAHLTAHHMODKR-UHFFFAOYSA-N","371554",NA,"PDBC41761","645883","Present"
-"N-(4-Bromo-2,6-dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromo-2,6-dimethylphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","CC1=CC(=CC(=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4)C)Br","NLRGCVWODUBTCB-UHFFFAOYSA-N","369479",NA,"PDBC41762","641249","Present"
-"N-(4-Bromo-2,6-dimethylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromo-2,6-dimethylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","CC1=CC(=CC(=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC(=C(C=C4)Cl)Cl)C)Br","RFGSNUYKKRTFBK-UHFFFAOYSA-N","370967",NA,"PDBC41763","644772","Present"
-"N-(4-Bromo-2,6-dimethylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromo-2,6-dimethylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","CC1=CC(=CC(=C1NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C)Br","KDNRQLDQMJGKPE-UHFFFAOYSA-N","3000687",NA,"PDBC41764","648600","Present"
-"N-(4-Bromophenyl)-2-({[N-(4-bromophenyl)carbamoyl]methyl}disulfanyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromophenyl)-2-({[N-(4-bromophenyl)carbamoyl]methyl}disulfanyl)acetamide","","C1=CC(=CC=C1NC(=O)CSSCC(=O)NC2=CC=C(C=C2)Br)Br","VJGBPTWSPRDFRI-UHFFFAOYSA-N","361218",NA,"PDBC41765","624178","Present"
-"N-(4-Bromophenyl)-2-iodoacetamide","","","","","","","","","","","","","","","","","","","","WLN: I1VMR DE","","C1=CC(=CC=C1NC(=O)CI)Br","KZEZEXWEHMUXPI-UHFFFAOYSA-N","28665",NA,"PDBC41766","151224","Present"
-"N-(4-Bromophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide","","C1=CC(=CC=C1NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)Br","LDGJXINPDDYTPM-UHFFFAOYSA-N","369876",NA,"PDBC41767","642069","Present"
-"N-(4-Bromophenyl)-3,4-dichlorobenzamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromophenyl)-3,4-dichlorobenzamide","","C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)Cl)Br","PLQRPDVJMCICKR-UHFFFAOYSA-N","221819",NA,"PDBC41768","6891","Present"
-"N-(4-Bromophenyl)-3-({[(4-bromophenyl)amino]carbonyl}amino)-1H-indazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-bromophenyl)-3-({[(4-bromophenyl)amino]carbonyl}ami...","","C1=CC=C2C(=C1)C(=NN2C(=O)NC3=CC=C(C=C3)Br)NC(=O)NC4=CC=C(C=C4)Br","OSXRBDRHEJEFAA-UHFFFAOYSA-N","25197921",NA,"PDBC41769","742795","Present"
-"N-(4-Bromophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC=C(C=C4)Br","IAHYJQCQOYXFCP-UHFFFAOYSA-N","369457",NA,"PDBC41770","641227","Present"
-"N-(4-Bromophenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromophenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC=C(C=C4)Br","OTEONVZCZCUUDG-UHFFFAOYSA-N","371552",NA,"PDBC41771","645881","Present"
-"N-(4-Bromophenyl)-5-methyl-N'-(4H-1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromophenyl)-5-methyl-N'-(4H-1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide","","CC1=NC(=NO1)C(=NC2=CC=C(C=C2)Br)NN3C=NN=C3","CIXWKCHWZJWWEB-UHFFFAOYSA-N","394936",NA,"PDBC41772","699036","Present"
-"N-(4-Bromophenyl)-7-hydroxy-2-oxo-4-phenyl-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Bromophenyl)-7-hydroxy-2-oxo-4-phenyl-2H-chromene-3-carboxamide","","C1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)O)C(=O)NC4=CC=C(C=C4)Br","KIZWXLXXALRDDF-UHFFFAOYSA-N","5465801",NA,"PDBC41773","662453","Present"
-"N-(4-Butylphenyl)-4-chloro-7-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-Butylphenyl)-4-chloro-7-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-2-amine","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C=CN3C4CC(C(O4)COC5=CC=C(C=C5)C)OC6=CC=C(C=C6)C)C(=N2)Cl","UDWRBGVUXXLRRZ-UHFFFAOYSA-N","387250",NA,"PDBC41774","680826","Present"
-"N-(4-Chloro-2-(trifluoromethyl)phenyl)-2-(1,1-dioxidotetrahydro-2-thienyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-(trifluoromethyl)phenyl)-2-(1,1-dioxidotetrahydro-2-thienyl)-2-oxoacetamide","","C1CC(S(=O)(=O)C1)C(=O)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F","SCNKRRYBFZWKTM-UHFFFAOYSA-N","371561",NA,"PDBC41775","645890","Present"
-"N-(4-Chloro-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-phenylbutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-phenylbutanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4","JPPDCOCQPIBKKH-UHFFFAOYSA-N","370943",NA,"PDBC41776","644748","Present"
-"N-(4-Chloro-2-methylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-methylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide","","CC1=C(C=CC(=C1)Cl)NC(=O)CC2C(=O)N=C(S2)N","VXAIZBPASDEUOZ-UHFFFAOYSA-N","364800",NA,"PDBC41777","631559","Present"
-"N-(4-Chloro-2-methylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-methylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","CC1=CC(=CC=C1)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)Cl)C","PEQYMJRUUIXUPT-UHFFFAOYSA-N","135426506",NA,"PDBC41778","631566","Present"
-"N-(4-Chloro-2-methylphenyl)-2-(hydroxyimino)-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-4-oxo-6-phenylhexanamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(4-Chloro-2-methylphenyl)-2-hydroxyimino-6-(4-hydroxy-2-oxochromen-3-yl)-4-oxo-6-phenylhexanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=NO)CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","UPXPIERXACQVAL-SXBRIOAWSA-N","54712268",NA,"PDBC41779","649818","Present"
-"N-(4-Chloro-2-methylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-methylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-oxopropanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC2=C(C(=O)C=CO2)O","NXWBOTLYGWUPOZ-UHFFFAOYSA-N","370961",NA,"PDBC41780","644766","Present"
-"N-(4-Chloro-2-methylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-methylphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","JCMZHKDSHQCMEQ-UHFFFAOYSA-N","369468",NA,"PDBC41781","641238","Present"
-"N-(4-Chloro-2-methylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-methylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","JOQXBAGORFHTRA-UHFFFAOYSA-N","366528",NA,"PDBC41782","635137","Present"
-"N-(4-Chloro-2-methylphenyl)-5,7-dioxo-6,7-diphenylheptanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-methylphenyl)-5,7-dioxo-6,7-diphenylheptanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3","PCDDRIDZZLFNGM-UHFFFAOYSA-N","360363",NA,"PDBC41783","622421","Present"
-"N-(4-Chloro-2-methylphenyl)-5,7-dioxooctanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-methylphenyl)-5,7-dioxooctanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)CC(=O)C","MXTNZRXDJLESHC-UHFFFAOYSA-N","360437",NA,"PDBC41784","622573","Present"
-"N-(4-Chloro-2-methylphenyl)-5-(2-((cyanoacetyl)hydrazono)cyclopentyl)-5-oxopentanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-methylphenyl)-5-(2-((cyanoacetyl)hydrazono)cyclopentyl)-5-oxopentanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)C2CCCC2=NNC(=O)CC#N","ZEPGRVWENMDWMZ-JJIBRWJFSA-N","6110526",NA,"PDBC41785","630326","Present"
-"N-(4-Chloro-2-methylphenyl)-5-oxo-5-(2-oxocyclopentyl)pentanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-2-methylphenyl)-5-oxo-5-(2-oxocyclopentyl)pentanamide","","CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)C2CCCC2=O","YKLYBPLZJGHCBA-UHFFFAOYSA-N","360438",NA,"PDBC41786","622574","Present"
-"N-(4-Chloro-3-fluorophenyl)-5-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-chloro-3-fluorophenyl)-5-(3-(4-methylpiperazin-1-yl...","","CN1CCN(CC1)CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=C(C=C4)Cl)F","JCKQQBQPFCXZCA-UHFFFAOYSA-N","155813611",NA,"PDBC41787","781643","Present"
-"N-(4-Chloro-3-iodophenyl)-2-(hydroxyimino)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-3-iodophenyl)-2-(hydroxyimino)acetamide","","C1=CC(=C(C=C1NC(=O)C=NO)I)Cl","PWQNPEVJGCXARI-NYYWCZLTSA-N","9571384",NA,"PDBC41788","651038","Present"
-"N-(4-Chloro-3-nitrophenyl)sydnone","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-3-nitrophenyl)sydnone","","C1=CC(=C(C=C1[N+]2=NOC(=C2)[O-])[N+](=O)[O-])Cl","NJSTWYWKRNSLNW-UHFFFAOYSA-N","405169",NA,"PDBC41789","722212","Present"
-"N-(4-Chloro-6-methyl-2-pyrimidinyl)-2-((4-chlorophenyl)thio)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-6-methyl-2-pyrimidinyl)-2-((4-chlorophenyl)thio)acetamide","","CC1=CC(=NC(=N1)NC(=O)CSC2=CC=C(C=C2)Cl)Cl","GSVYMELKQFOOJH-UHFFFAOYSA-N","224680",NA,"PDBC41790","13364","Present"
-"N-(4-Chloro-6-morpholino-1,3,5-triazine-2-yl)-1-benzyl-2-methyl-1H-benzoimidazole-6-amine","","","","","","","","","","","","","","","","","","","","(3-Benzyl-2-methyl-3H-benzoimidazol-5-yl)-(4-chloro-6-mo...","","CC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC4=NC(=NC(=N4)Cl)N5CCOCC5","XHVJOIPGKNTPSF-UHFFFAOYSA-N","122219959",NA,"PDBC41791","776053","Present"
-"N-(4-Chloro-6-phenyl-2-pyrimidinyl)-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-Chloro-6-phenyl-2-pyrimidinyl)-1H-benzimidazol-2-amine","","C1=CC=C(C=C1)C2=CC(=NC(=N2)NC3=NC4=CC=CC=C4N3)Cl","RTJYWYDYNMKREW-UHFFFAOYSA-N","387155",NA,"PDBC41792","680669","Present"
-"N-(4-Chlorobenzoyl)-N'-(5-(3-(3,4-dimethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)thiourea","","","","","","","","","","","","","","","","","","","","N-(4-Chlorobenzoyl)-N'-(5-(3-(3,4-dimethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)thiourea","","CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)Cl)C(=O)C=CC3=CC(=C(C=C3)OC)OC","SFPOTONYXXZIID-ONNFQVAWSA-N","5889517",NA,"PDBC41793","640545","Present"
-"N-(4-Chlorobenzoyl)-N,4-diphenylpiperidine-1-carboxamide","","","","","","","","","","","","","","","","","","","","LS-26201","","C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","DGLIGBGGTOVBEV-UHFFFAOYSA-N","391220",NA,"PDBC41794","690117","Present"
-"N-(4-Chlorobenzyl)-4-methylthiazole-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-Chlorobenzyl)-4-methylthiazole-2-amine","","CC1=CSC(=N1)NCC2=CC=C(C=C2)Cl","KSDRSWFFJHRIGG-UHFFFAOYSA-N","402136",NA,"PDBC41795","715993","Present"
-"N-(4-Chlorobenzyl)-N'-(2,5-dimethylphenyl)urea","","","","","","","","","","","","","","","","","","","","N-(4-Chlorobenzyl)-N'-(2,5-dimethylphenyl)urea","","CC1=CC(=C(C=C1)C)NC(=O)NCC2=CC=C(C=C2)Cl","VNBHOFZERQXOFW-UHFFFAOYSA-N","307746",NA,"PDBC41796","205862","Present"
-"N-(4-Chlorophenyl)-1-methyl-1H-pyrazolo[3,4-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","1H-Pyrazolo[3,4-b]quinoline, 4-[(4-chlorophenyl)amino]-1...","","CN1C2=NC3=CC=CC=C3C(=C2C=N1)NC4=CC=C(C=C4)Cl","XRAAYLBQQQPCRB-UHFFFAOYSA-N","364041",NA,"PDBC41797","629658","Present"
-"N-(4-Chlorophenyl)-2,4,6-trinitroaniline","","","","","","","","","","","","","","","","","","","","A822488","","C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl","BVQWERYAWIDLFA-UHFFFAOYSA-N","291920",NA,"PDBC41798","157487","Present"
-"N-(4-Chlorophenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide","","C1COC(=O)C1C(=O)CC(=O)C(=O)NC2=CC=C(C=C2)Cl","PIJTVUBKZOHRTA-UHFFFAOYSA-N","361010",NA,"PDBC41799","623743","Present"
-"N-(4-Chlorophenyl)-2,4-dioxo-4-phenylbutanamide","","","","","","","","","","","","","","","","","","","","EU-0001781","","C1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=C(C=C2)Cl","SKIOOBJLSYWHMF-UHFFFAOYSA-N","366969",NA,"PDBC41800","636131","Present"
-"N-(4-Chlorophenyl)-2-((5-methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-chlorophenyl)-2-(5-methyl-3-phenyl-2-thioxo-2,3-dih...","","CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)Cl)SC(=S)N2C4=CC=CC=C4","WSLLSEAPOBQYDB-UHFFFAOYSA-N","378707",NA,"PDBC41801","661812","Present"
-"N-(4-Chlorophenyl)-2-((6-(2-(3-(hydroxy(oxido)amino)phenyl)vinyl)-2-mercapto-4-pyrimidinyl)carbonyl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","1-(4-Chlorophenyl)-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]-2-sulfanyl-pyrimidine-4-carbonyl]amino]urea","","C1=CC(=CC(=C1)[N+](=O)[O-])C=CC2=CC(=NC(=S)N2)C(=O)NNC(=O)NC3=CC=C(C=C3)Cl","ZXSOAHFHWNCIFL-QPJJXVBHSA-N","5388439",NA,"PDBC41802","636120","Present"
-"N-(4-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","C1=CC=C2C(=C1)NC(=O)C(S2(=O)=O)CC(=O)NC3=CC=C(C=C3)Cl","YNFSQLXDCFRFKJ-UHFFFAOYSA-N","366127",NA,"PDBC41803","634414","Present"
-"N-(4-Chlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","C1=CC=C2C(=C1)NC(=O)C(S2=O)CC(=O)NC3=CC=C(C=C3)Cl","ZOVZPMRJAQIQRK-UHFFFAOYSA-N","360690",NA,"PDBC41804","623026","Present"
-"N-(4-Chlorophenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=CC=C(C=C3)Cl","IWEMEWAZLYOFKI-UHFFFAOYSA-N","365047",NA,"PDBC41805","632005","Present"
-"N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)oxyacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)oxyacetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OCC(=O)NC4=CC=C(C=C4)Cl","AJLZTZOEOVLCPT-UHFFFAOYSA-N","24205107",NA,"PDBC41806","734279","Present"
-"N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Cl","QIFNACABZQROSX-UHFFFAOYSA-N","16079750",NA,"PDBC41807","734278","Present"
-"N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfinylacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfinylacetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2S(=O)CC(=O)NC4=CC=C(C=C4)Cl","QLVNCXOREMRVNA-UHFFFAOYSA-N","24205108",NA,"PDBC41808","734280","Present"
-"N-(4-Chlorophenyl)-2-(4-hydroxy-2H-chromen-3-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-(4-hydroxy-2H-chromen-3-yl)-2-oxoacetamide","","C1C(=C(C2=CC=CC=C2O1)O)C(=O)C(=O)NC3=CC=C(C=C3)Cl","JZFUURUIXQUXHN-UHFFFAOYSA-N","373363",NA,"PDBC41809","649578","Present"
-"N-(4-Chlorophenyl)-2-(cyanoamino)-6-phenyl-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-(cyanoamino)-6-phenyl-4-pyrimidinecarboxamide","","C1=CC=C(C=C1)C2=CC(=NC(=N2)NC#N)C(=O)NC3=CC=C(C=C3)Cl","ZSCRUARLCIXSPL-UHFFFAOYSA-N","364956",NA,"PDBC41810","631842","Present"
-"N-(4-Chlorophenyl)-2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide","","CSC(=C(C#N)C(=O)NC1=CC=C(C=C1)Cl)SC","AXYGHGGSYOXSPF-UHFFFAOYSA-N","392136",NA,"PDBC41811","692016","Present"
-"N-(4-Chlorophenyl)-2-formylhydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","LS-144871","","C1=CC(=CC=C1NC(=O)NNC=O)Cl","UIKAWTVORRTDHA-UHFFFAOYSA-N","379568",NA,"PDBC41812","664254","Present"
-"N-(4-Chlorophenyl)-2-hydroxy-9H-carbazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","naphtol as-lb","","C1=CC=C2C(=C1)C3=CC(=C(C=C3N2)O)C(=O)NC4=CC=C(C=C4)Cl","PPLNRTPNYCWODC-UHFFFAOYSA-N","67238",NA,"PDBC41813","50651","Present"
-"N-(4-Chlorophenyl)-2-imino-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-imino-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide","","CSC1=C(C(=NC1=O)N)C(=O)NC2=CC=C(C=C2)Cl","IGDUIOSFUURGOV-UHFFFAOYSA-N","392149",NA,"PDBC41814","692029","Present"
-"N-(4-Chlorophenyl)-2-mercapto-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-2-mercapto-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide","","CC1=C(SC2=CC=CC=C2N1)C3=CC(=NC(=S)N3)C(=O)NC4=CC=C(C=C4)Cl","LHOOPAUQZLORDN-UHFFFAOYSA-N","3004119",NA,"PDBC41815","630291","Present"
-"N-(4-Chlorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3,5-bis(4-hydroxy-3-methoxystyryl)-N-(4-bromophenyl)-1H-...","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)NC3=CC=C(C=C3)Cl)C=CC4=CC(=C(C=C4)O)OC)O","FBTRJGSYHVLGFR-KGNILVOKSA-N","155808231",NA,"PDBC41816","757924","Present"
-"N-(4-Chlorophenyl)-3-(((2-methylphenyl)sulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-(((2-methylphenyl)sulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide","","CC1=CC=CC=C1S(=O)(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl","KWRKECDKWDELSB-UHFFFAOYSA-N","390422",NA,"PDBC41817","687776","Present"
-"N-(4-Chlorophenyl)-3-(3,5-dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-(3,5-dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-3-oxopropanamide","","CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C","WETDNQDXTINCGC-UHFFFAOYSA-N","386805",NA,"PDBC41818","679513","Present"
-"N-(4-Chlorophenyl)-3-(3-((2-cyanoethyl)-2-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","1-(p-Chloroanilinomalonyl)-3-(N-ortho-toluidino-N-.beta....","","CC1=CC=CC=C1N(CCC#N)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)Cl","UMAQRZVAGNXXFQ-UHFFFAOYSA-N","365897",NA,"PDBC41819","633978","Present"
-"N-(4-Chlorophenyl)-3-(4-((2-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-(4-((2-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=CC=C5Cl","DCVHXMKMOTUFLH-UHFFFAOYSA-N","370463",NA,"PDBC41820","643594","Present"
-"N-(4-Chlorophenyl)-3-(4-((3,4-dimethylphenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-[4-[(3,4-dimethylphenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-3-oxopropanamide","","CC1=C(C=C(C=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C)C","JCJLRIFZRJZLCG-UHFFFAOYSA-N","386801",NA,"PDBC41821","679509","Present"
-"N-(4-Chlorophenyl)-3-(4-((4-(hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-[4-[(4-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide","","C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=C(C=C5)[N+](=O)[O-]","PRUOUANBINANJR-UHFFFAOYSA-N","372606",NA,"PDBC41822","647967","Present"
-"N-(4-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=C(C=C5)Cl","CORRYZDDSQEIDL-UHFFFAOYSA-N","370461",NA,"PDBC41823","643592","Present"
-"N-(4-Chlorophenyl)-3-(4-((4-ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-[4-[(4-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide","","CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C","XKHPAGMURWOWGW-UHFFFAOYSA-N","386795",NA,"PDBC41824","679503","Present"
-"N-(4-Chlorophenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","CC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","INWATODZILKANX-UHFFFAOYSA-N","367845",NA,"PDBC41825","637920","Present"
-"N-(4-Chlorophenyl)-3-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide","","CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]","VQKQXAHMOWZESR-UHFFFAOYSA-N","383164",NA,"PDBC41826","671277","Present"
-"N-(4-Chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","Naphthol AS-E phosphate","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)OP(=O)(O)O","RQAQWBFHPMSXKR-UHFFFAOYSA-N","87517",NA,"PDBC41827","746568","Present"
-"N-(4-Chlorophenyl)-3-cyano-2-oxo-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-cyano-2-oxo-3-phenylpropanamide","","C1=CC=C(C=C1)C(C#N)C(=O)C(=O)NC2=CC=C(C=C2)Cl","FYHOXDPIXUCNSV-UHFFFAOYSA-N","360298",NA,"PDBC41828","622333","Present"
-"N-(4-Chlorophenyl)-3-hydrazinyl-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","STK498031","","C1=CC(=CC=C1NC(=O)CC(=O)NN)Cl","DCOQZBAZLFPAAU-UHFFFAOYSA-N","385913",NA,"PDBC41829","677375","Present"
-"N-(4-Chlorophenyl)-3-imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine","","CN1CCC2=C(C1)SC3=C2C(=N)N(C=N3)NC4=CC=C(C=C4)Cl","UHFWNWJCNNZZHC-UHFFFAOYSA-N","397285",NA,"PDBC41830","704838","Present"
-"N-(4-Chlorophenyl)-3-imino-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-imino-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide","","CSC1=C(C(=NN1C2=CC=CC=C2)N)C(=O)NC3=CC=C(C=C3)Cl","HHGFZWAYLYIYPZ-UHFFFAOYSA-N","392154",NA,"PDBC41831","692034","Present"
-"N-(4-Chlorophenyl)-3-imino-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-imino-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide","","CSC1=NNC(=C1C(=O)NC2=CC=C(C=C2)Cl)N","YSMOMJMTPUQNKG-UHFFFAOYSA-N","392156",NA,"PDBC41832","692036","Present"
-"N-(4-Chlorophenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","C1C(N(N=C1N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)CC(=O)NC5=CC=C(C=C5)Cl)C6=CC=CC=C6","ZYCWKYISQGBJSK-UHFFFAOYSA-N","357547",NA,"PDBC41833","617011","Present"
-"N-(4-Chlorophenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide","","C1CCN(CC1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)Cl","AOABVNZKJIMHHB-UHFFFAOYSA-N","386791",NA,"PDBC41834","679499","Present"
-"N-(4-Chlorophenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide","","C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CNNC(=O)CC(=O)NC3=CC=C(C=C3)Cl","OBHLEKJFIMISHS-UHFFFAOYSA-N","357549",NA,"PDBC41835","617013","Present"
-"N-(4-Chlorophenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide","","C1C(N(N=C1N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","RNULZTXGTGKJJO-UHFFFAOYSA-N","389691",NA,"PDBC41836","686234","Present"
-"N-(4-Chlorophenyl)-3-{3-[(4-chlorophenyl)(2-cyanoethyl)amino]-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","3-[5-[4-Chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-chlorophenyl)-3-oxopropanamide","","C1C(N(N=C1N(CCC#N)C2=CC=C(C=C2)Cl)C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4","BSMQDZLKZMCRDK-UHFFFAOYSA-N","365705",NA,"PDBC41837","633642","Present"
-"N-(4-Chlorophenyl)-4,6-dioxo-8-phenyl-7-octenamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4,6-dioxo-8-phenyl-7-octenamide","","C1=CC=C(C=C1)C=CC(=O)CC(=O)CCC(=O)NC2=CC=C(C=C2)Cl","GCSDREAXVFBJOE-IZZDOVSWSA-N","5387303",NA,"PDBC41838","622570","Present"
-"N-(4-Chlorophenyl)-4-(1-naphthyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-(1-naphthyl)-2,4-dioxobutanamide","","C1=CC=C2C(=C1)C=CC=C2C(=O)CC(=O)C(=O)NC3=CC=C(C=C3)Cl","CQMDAORAIQQFBN-UHFFFAOYSA-N","360358",NA,"PDBC41839","622416","Present"
-"N-(4-Chlorophenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide","","C1CC(=O)C(CC1=O)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl","XAJMFMHMAHICBS-UHFFFAOYSA-N","360426",NA,"PDBC41840","622562","Present"
-"N-(4-Chlorophenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide","","C1CC(=NNC(=O)C(=O)NN)C(CC1=O)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl","NHMINUOBIIJFLW-OEAKJJBVSA-N","6373963",NA,"PDBC41841","632028","Present"
-"N-(4-Chlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC=C(C=C3)Cl","DDQHTZFMSGAPTM-UHFFFAOYSA-N","364309",NA,"PDBC41842","630327","Present"
-"N-(4-Chlorophenyl)-4-(4-methyl-2-(4-toluidino)-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-(4-methyl-2-(4-toluidino)-1,3-thiazol-5-yl)-2,4-dioxobutanamide","","CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=CC=C(C=C3)Cl)C","NMVZEXCKQBSCKV-UHFFFAOYSA-N","377063",NA,"PDBC41843","658278","Present"
-"N-(4-Chlorophenyl)-4-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide","","CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","VDDTYGFCISFYTI-UHFFFAOYSA-N","383165",NA,"PDBC41844","671278","Present"
-"N-(4-Chlorophenyl)-4-(phenoxymethyl)phthalazin-1-amine","","","","","","","","","","","","","","","","","","","","NSC783922","","C1=CC=C(C=C1)OCC2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Cl","JDDSEFVRVOBYRR-UHFFFAOYSA-N","155805731",NA,"PDBC41845","783922","Present"
-"N-(4-Chlorophenyl)-4-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6-methylpyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6-methylpyrimidine-5-carboxamide","","CC1=C(C(=NC(=N1)NC(C)(CO)CO)NN=CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","RMLKPGOWJWOULV-KBKYJPHKSA-N","9571900",NA,"PDBC41846","669467","Present"
-"N-(4-Chlorophenyl)-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CC1=C(C(=NC(=O)N1)NN=CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)Cl","QYOVAJHUYCCKRM-UFFVCSGVSA-N","135499289",NA,"PDBC41847","648198","Present"
-"N-(4-Chlorophenyl)-4-[[(E)-(4-chlorophenyl)methylideneamino]-(2-hydroxyethyl)amino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-[[(E)-(4-chlorophenyl)methylideneamino]-(2-hydroxyethyl)amino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CC1=C(C(=NC(=O)N1)N(CCO)N=CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","JRKARMFZFFRTQZ-WYMPLXKRSA-N","9571866",NA,"PDBC41848","666979","Present"
-"N-(4-Chlorophenyl)-4-hydroxy-2-methyl-5-propan-2-ylbenzenecarbothioamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-hydroxy-2-methyl-5-propan-2-ylbenzenecarbothioamide","","CC1=CC(=C(C=C1C(=S)NC2=CC=C(C=C2)Cl)C(C)C)O","XOKYRVIVUVAFGK-UHFFFAOYSA-N","135426704",NA,"PDBC41849","710011","Present"
-"N-(4-Chlorophenyl)-4-methyl-1,6-dioxo-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-4-methyl-1,6-dioxo-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide","","CC1=NN(C(=O)C2N1C(=O)CC2)C(=O)NC3=CC=C(C=C3)Cl","SGLDBTHVOVYPMN-UHFFFAOYSA-N","366811",NA,"PDBC41850","635583","Present"
-"N-(4-Chlorophenyl)-5-(diethylaminomethyl)thiophene-2-carbothioamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-5-(diethylaminomethyl)thiophene-2-carbothioamide","","CCN(CC)CC1=CC=C(S1)C(=S)NC2=CC=C(C=C2)Cl","NWZPZSSWIYOYPX-UHFFFAOYSA-N","5471262",NA,"PDBC41851","710019","Present"
-"N-(4-Chlorophenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide","","C1CCN(CC1)CC2=CC=C(S2)C(=S)NC3=CC=C(C=C3)Cl","ADTDVXWCGNHHME-UHFFFAOYSA-N","5471265",NA,"PDBC41852","710022","Present"
-"N-(4-Chlorophenyl)-5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","N-(4-chlorophenyl)-5-{[(2,5-dihydroxyphenyl)methyl]amino...","","C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)NCC3=C(C=CC(=C3)O)O)O)Cl","ACSPHEVUHQVZIP-UHFFFAOYSA-N","155807337",NA,"PDBC41853","797715","Present"
-"N-(4-Chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-amine","","COC1=CC(=C(C=C1)OC)C=CC2=NN=C(O2)NC3=CC=C(C=C3)Cl","CJHCRQWJQHNXKV-XCVCLJGOSA-N","60147767",NA,"PDBC41854","752384","Present"
-"N-(4-Chlorophenyl)-5-cyano-4-((3-hydroxy-2-naphthoyl)hydrazono)-5-phenylpentanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-5-cyano-4-((3-hydroxy-2-naphthoyl)hydrazono)-5-phenylpentanamide","","C1=CC=C(C=C1)C(C#N)C(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CCC(=O)NC4=CC=C(C=C4)Cl","WGEZIBBZWASWKM-MHTZHOPKSA-N","6161582",NA,"PDBC41855","632031","Present"
-"N-(4-Chlorophenyl)-5-isobutyryl-4-oxononanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-5-isobutyryl-4-oxononanamide","","CCCCC(C(=O)CCC(=O)NC1=CC=C(C=C1)Cl)C(=O)C(C)C","PZGMNYBOAPFXDZ-UHFFFAOYSA-N","364267",NA,"PDBC41856","630284","Present"
-"N-(4-Chlorophenyl)-5-methyl-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-5-methyl-1,3,4-oxadiazol-2-amine","","CC1=NN=C(O1)NC2=CC=C(C=C2)Cl","WWNCBEMNAZHKPR-UHFFFAOYSA-N","377680",NA,"PDBC41857","659260","Present"
-"N-(4-Chlorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine","","C=C1CN=C(S1)NC2=CC=C(C=C2)Cl","ZEVIXJJHYFEMJX-UHFFFAOYSA-N","383605",NA,"PDBC41858","672023","Present"
-"N-(4-Chlorophenyl)-5-nitrofuran-2-carboxamide","","","","","","","","","","","","","","","","","","","","n-(4- chlorophenyl)-5-nitro-2-furamide","","C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])Cl","JDBZJNUHQINERI-UHFFFAOYSA-N","844044",NA,"PDBC41859","761634","Present"
-"N-(4-Chlorophenyl)-6-((2-chlorophenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-6-((2-chlorophenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide","","C1=CC=C(C(=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl","ARPLBCSMWDQQSD-UHFFFAOYSA-N","370465",NA,"PDBC41860","643596","Present"
-"N-(4-Chlorophenyl)-6-((4-methoxyphenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-6-((4-methoxyphenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide","","COC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=C(C=C4)Cl","VEKUUVRAVGECSD-UHFFFAOYSA-N","378944",NA,"PDBC41861","662452","Present"
-"N-(4-Chlorophenyl)-6-(2-naphthyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-6-(2-naphthyl)-4,6-dioxohexanamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)CCC(=O)NC3=CC=C(C=C3)Cl","VDZPHURUSRSFFY-UHFFFAOYSA-N","364969",NA,"PDBC41862","631855","Present"
-"N-(4-Chlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide","","C1=CC(=CC=C1C(=O)CC(=O)CCC(=O)NC2=CC=C(C=C2)Cl)F","QLRPFKUVPXCTDC-UHFFFAOYSA-N","360656",NA,"PDBC41863","622974","Present"
-"N-(4-Chlorophenyl)-6-hexyl-2-mercapto-4-pyrimidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-6-hexyl-2-mercapto-4-pyrimidinecarboxamide","","CCCCCCC1=CC(=NC(=S)N1)C(=O)NC2=CC=C(C=C2)Cl","XNZMEILOVFPBON-UHFFFAOYSA-N","3004053",NA,"PDBC41864","624468","Present"
-"N-(4-Chlorophenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide","","C1=CC(=CC=C1C(=O)CC(=NNC(=O)C(=O)NN)CCCC(=O)NC2=CC=C(C=C2)Cl)F","ADMVLUJOUHQWBV-WPWMEQJKSA-N","6374157",NA,"PDBC41865","632010","Present"
-"N-(4-Chlorophenyl)-7-fluoro-3-hydroxynaphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","NSC781617","","C1=CC(=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)F)O)Cl","GBYTWJJQGKTNTK-UHFFFAOYSA-N","155816913",NA,"PDBC41866","781617","Present"
-"N-(4-Chlorophenyl)-7-methyl-5-oxo-1,2,3,5-tetrahydroimidazo[1,2-c]pyrimidine-8-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-7-methyl-5-oxo-1,2,3,5-tetrahydroimidazo[1,2-c]pyrimidine-8-carboxamide","","CC1=NC(=O)N2CCNC2=C1C(=O)NC3=CC=C(C=C3)Cl","WIVMYCMTHVFMHS-UHFFFAOYSA-N","360776",NA,"PDBC41867","623131","Present"
-"N-(4-Chlorophenyl)-7-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-8-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","Imidazol[1,2-c]pyrimidine-8-carboxamide,  N-(d4-chloroph...","","CC1=NC(=O)N2CCNC2=C1C(=O)NC3=CC=C(C=C3)Cl.Cl","QGSXUSCWDHXDAO-UHFFFAOYSA-N","362470",NA,"PDBC41868","626420","Present"
-"N-(4-Chlorophenyl)-N'-(2,2-dimethylpropyl)propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-N'-(2,2-dimethylpropyl)propane-1,3-diamine","","CC(C)(C)CNCCCNC1=CC=C(C=C1)Cl","JPONUXJOLTUVAB-UHFFFAOYSA-N","403668",NA,"PDBC41869","718777","Present"
-"N-(4-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea","","CC1=CC(=NC(=C1)NC(=S)NC2=CC=C(C=C2)Cl)C","JIRCAXHRISHWAQ-UHFFFAOYSA-N","3005375",NA,"PDBC41870","695063","Present"
-"N-(4-Chlorophenyl)-N'-[(E)-1-(2-oxochromen-3-yl)ethylideneamino]propanediamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-N'-[(E)-1-(2-oxochromen-3-yl)ethylideneamino]propanediamide","","CC(=NNC(=O)CC(=O)NC1=CC=C(C=C1)Cl)C2=CC3=CC=CC=C3OC2=O","LDYKPJLLQJZMGV-FSJBWODESA-N","9569826",NA,"PDBC41871","621107","Present"
-"N-(4-Chlorophenyl)-N-(3-(2-(3-furyl)hydrazino)-2,3-dioxopropyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-N-(3-(2-(3-furyl)hydrazino)-2,3-dioxopropyl)acetamide","","CC(=O)N(CC(=O)C(=O)NNC1=COC=C1)C2=CC=C(C=C2)Cl","BEPTYFFGWATXGH-UHFFFAOYSA-N","379783",NA,"PDBC41872","664873","Present"
-"N-(4-Chlorophenyl)-N-({[2-(4-chlorophenyl)ethyl]amino]carbonothioyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-N-({[2-(4-chlorophenyl)ethyl]amino]ca...","","C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=S)NCCC3=CC=C(C=C3)Cl","PEOKEDZNFXQOMN-UHFFFAOYSA-N","45029410",NA,"PDBC41873","746701","Present"
-"N-(4-Chlorophenyl)-N-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-N-methylbenzenesulfonamide","","CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC=C2","MIPPUZLVNVNAPW-UHFFFAOYSA-N","383175",NA,"PDBC41874","671288","Present"
-"N-(4-Chlorophenyl)furo[3,2-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)furo[3,2-c]quinolin-4-amine","","C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)Cl","MZTAZSNEQHBLOH-UHFFFAOYSA-N","24203908",NA,"PDBC41875","730138","Present"
-"N-(4-Cyano-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","2-benzamido-4-cyano-1-oxo-1H,5H-pyrido[1,2-a]benzimidazole","","C1=CC=C(C=C1)C(=O)NC2=CC(=C3NC4=CC=CC=C4N3C2=O)C#N","PWQUOJXKRQQUHS-UHFFFAOYSA-N","362686",NA,"PDBC41876","626921","Present"
-"N-(4-Cyano-3-methyl-5-isoxazolyl)-N'-(2-fluorophenyl)urea","","","","","","","","","","","","","","","","","","","","N-(4-Cyano-3-methyl-5-isoxazolyl)-N'-(2-fluorophenyl)urea","","CC1=NOC(=C1C#N)NC(=O)NC2=CC=CC=C2F","XKXNHDFGHFCRBG-UHFFFAOYSA-N","331212",NA,"PDBC41877","321785","Present"
-"N-(4-Diethylaminobenzylideneamino)guanidine","","","","","","","","","","","","","","","","","","","","N-(4-Diethylaminobenzylideneamino)guanidine","","CCN(CC)C1=CC=C(C=C1)C=NN=C(N)N","USSKVRINIDXTJL-OQLLNIDSSA-N","9561622",NA,"PDBC41878","65814","Present"
-"N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide","","CCOC1=CC=C(C=C1)NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O","WSIBVDIYOZHPHF-UHFFFAOYSA-N","372886",NA,"PDBC41879","648598","Present"
-"N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide","","CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","BPZDUMJZIKFAAB-UHFFFAOYSA-N","366110",NA,"PDBC41880","634397","Present"
-"N-(4-Ethoxyphenyl)-2-(4-oxo-2-(4-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Ethoxyphenyl)-2-(4-oxo-2-(4-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide","","CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=CC=C(C=C3)C)S2","WPVLIEHYDCXZJG-UHFFFAOYSA-N","135445034",NA,"PDBC41881","634395","Present"
-"N-(4-Ethoxyphenyl)-2-(hydroxyimino)-3-(3-hydroxy-2-quinoxalinyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Ethoxyphenyl)-2-(hydroxyimino)-3-(3-hydroxy-2-quinoxalinyl)propanamide","","CCOC1=CC=C(C=C1)NC(=O)C(=NO)CC2=NC3=CC=CC=C3NC2=O","SIFRMNSUCYOQPL-QJOMJCCJSA-N","9571340",NA,"PDBC41882","646377","Present"
-"N-(4-Ethoxyphenyl)-3-(2-furyl)acrylamide","","","","","","","","","","","","","","","","","","","","STK259678","","CCOC1=CC=C(C=C1)NC(=O)C=CC2=CC=CO2","JNBHFGXTZZMXPN-MDZDMXLPSA-N","963805",NA,"PDBC41883","667742","Present"
-"N-(4-Ethoxyphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Ethoxyphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide","","CCOC1=CC=C(C=C1)NC(=O)CCC2=NN=C(O2)SC","VFWXRRNAFNNHSF-UHFFFAOYSA-N","367746",NA,"PDBC41884","637685","Present"
-"N-(4-Ethoxyphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Ethoxyphenyl)-4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-2,4-dioxo-butanamide","","CCOC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","HABSHDVCGNMKSS-UHFFFAOYSA-N","364331",NA,"PDBC41885","630346","Present"
-"N-(4-Ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(4-Ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide","","CCOC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","YKGZRCRHSFALLF-UHFFFAOYSA-N","366691",NA,"PDBC41886","635408","Present"
-"N-(4-Ethoxyphenyl)-4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Ethoxyphenyl)-4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=O)N=C2NN=CC3=CC=C(C=C3)OC)C","KLLQFGBAWQPCIL-YDZHTSKRSA-N","9571768",NA,"PDBC41887","648200","Present"
-"N-(4-Ethoxyphenyl)-4-hydrazino-4-oxobutanamide","","","","","","","","","","","","","","","","","","","","ARONIS021522","","CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NN","QXJVDNBFWNABRF-UHFFFAOYSA-N","366635",NA,"PDBC41888","635310","Present"
-"N-(4-Ethoxyphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(4-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","CCOC1=CC=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","QTEXSGJHQLZBJL-UHFFFAOYSA-N","369465",NA,"PDBC41889","641235","Present"
-"N-(4-Ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(4-Ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride","","CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)C=CC3=[N+](C4=CC=CC=C4C3(C)C)C.Cl.[Cl-]","ISXULQMIXWTWJH-UHFFFAOYSA-M","54602338",NA,"PDBC41890","31782","Present"
-"N-(4-Ethoxyphenyl)acridin-9-amine","","","","","","","","","","","","","","","","","","","","STL332400","","CCOC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42","XVEBRLBGCRNIRF-UHFFFAOYSA-N","232570",NA,"PDBC41891","30205","Present"
-"N-(4-Fluoro-3-nitrophenyl)sydnone","","","","","","","","","","","","","","","","","","","","N-(4-Fluoro-3-nitrophenyl)sydnone","","C1=CC(=C(C=C1[N+]2=NOC(=C2)[O-])[N+](=O)[O-])F","PXEQRBFQKNGHCQ-UHFFFAOYSA-N","405167",NA,"PDBC41892","722211","Present"
-"N-(4-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","C1=CC=C(C(=C1)N=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)NC4=CC=C(C=C4)F)F","VCLLPSXBRNMLCE-UHFFFAOYSA-N","135426698",NA,"PDBC41893","709570","Present"
-"N-(4-Fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)F","CVUIWSYQLQNQTG-UHFFFAOYSA-N","11975181",NA,"PDBC41894","735805","Present"
-"N-(4-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide","","C1=CC(=CC(=C1)F)N=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)NC4=CC=C(C=C4)F","BVVZYQFAYWLNNB-UHFFFAOYSA-N","135426699",NA,"PDBC41895","709571","Present"
-"N-(4-Fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)F","UOYCHBFCRHMSFA-UHFFFAOYSA-N","16079751",NA,"PDBC41896","735806","Present"
-"N-(4-Fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfonylacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfonylacetamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2S(=O)(=O)CC(=O)NC4=CC=C(C=C4)F","SEIUBZYCTWHKBO-UHFFFAOYSA-N","16079755",NA,"PDBC41897","735807","Present"
-"N-(4-Fluorophenyl)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoacetamide","","C1=CC=C(C(=C1)C=NNC(=O)C(=O)NC2=CC=C(C=C2)F)O","QLSHZGQJRNOEGU-RQZCQDPDSA-N","135452595",NA,"PDBC41898","329060","Present"
-"N-(4-Fluorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","3,5-bis(4-hydroxy-3-methoxystyryl)-N-(4-fluorophenyl)-1H...","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)NC3=CC=C(C=C3)F)C=CC4=CC(=C(C=C4)O)OC)O","LTYSPUPNBNZELX-KGNILVOKSA-N","155811396",NA,"PDBC41899","757925","Present"
-"N-(4-Fluorophenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]","LLFJYBIJNREACE-UHFFFAOYSA-N","369444",NA,"PDBC41900","641214","Present"
-"N-(4-Fluorophenyl)-3-imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)-3-imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine","","CN1CCC2=C(C1)SC3=C2C(=N)N(C=N3)NC4=CC=C(C=C4)F","JZELBCZDIUEQHG-UHFFFAOYSA-N","397283",NA,"PDBC41901","704836","Present"
-"N-(4-Fluorophenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine","","C1=CC=NC(=C1)C2=NN=C(S2)NC3=CC=C(C=C3)F","DIPQPAZIRCTDMN-UHFFFAOYSA-N","397505",NA,"PDBC41902","705600","Present"
-"N-(4-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=C(C=C3)F)O","WSSYFNVGQGIFCE-UHFFFAOYSA-N","135426703",NA,"PDBC41903","709581","Present"
-"N-(4-Fluorophenyl)-N-(phenylsulfonyl)glycine","","","","","","","","","","","","","","","","","","","","ADAL1192545","","C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)F","OQMQAQIMIHSBRB-UHFFFAOYSA-N","362738",NA,"PDBC41904","626993","Present"
-"N-(4-Fluorophenyl)furo[3,2-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-(4-Fluorophenyl)furo[3,2-c]quinolin-4-amine","","C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)F","DZHXRJANCHTFCG-UHFFFAOYSA-N","24203907",NA,"PDBC41905","730137","Present"
-"N-(4-Hydroxy-2-butenyl)phthalimide","","","","","","","","","","","","","","","","","","","","N-(4-Hydroxy-2-butenyl)phthalimide","","C1=CC=C2C(=C1)C(=O)N(C2=O)CC=CCO","NCKMGBNKBSCCKU-ONEGZZNKSA-N","5387030",NA,"PDBC41906","619929","Present"
-"N-(4-Hydroxy-3-(quinolin-8-ylthio)naphthalen-1-yl)-4-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]-4-methoxyb...","","COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=CC=CC5=C4N=CC=C5","SBNNJXVXPSWMND-UHFFFAOYSA-N","2133801",NA,"PDBC41907","780575","Present"
-"N-(4-Hydroxy-3-methoxybenzyl)-12-methyltridecanethioamide","","","","","","","","","","","","","","","","","","","","N-(4-Hydroxy-3-methoxybenzyl)-12-methyltridecanethioamide","","CC(C)CCCCCCCCCCC(=S)NCC1=CC(=C(C=C1)O)OC","JFDSYEICLRNAQR-UHFFFAOYSA-N","3004936",NA,"PDBC41908","664267","Present"
-"N-(4-Hydroxy-3-phenylsulfanylnaphthalen-1-yl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-hydroxy-3-(phenylthio)-1-naphthyl]-4-methylbenzenes...","","CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=CC=CC=C4","BLTMRVBHRPRVNU-UHFFFAOYSA-N","2206272",NA,"PDBC41909","780574","Present"
-"N-(4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-4-methoxybenzamide","","","","","","","","","","","","","","","","","","","","N-(4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-4-methoxybenzamide","","COC1=CC=C(C=C1)C(=O)NC2=CC=C(C(=O)C=C2)O","DPALTHDQYPLENE-UHFFFAOYSA-N","257612",NA,"PDBC41910","85779","Present"
-"N-(4-Hydroxy-8-quinazolinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-Hydroxy-8-quinazolinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CNC3=O","XNIUSFDNKLNLOF-UHFFFAOYSA-N","135408743",NA,"PDBC41911","4367","Present"
-"N-(4-Hydroxyphenyl)-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Hydroxyphenyl)-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CC1=C(C(=NC(=O)N1)NN=CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)O","NPPWZNMIBMBJEY-KEBDBYFISA-N","135499290",NA,"PDBC41912","648199","Present"
-"N-(4-Iodophenyl)maleimide","","","","","","","","","","","","","","","","","","","","JS-053C","","C1=CC(=CC=C1N2C(=O)C=CC2=O)I","GIXQASIEVHMYQH-UHFFFAOYSA-N","96758",NA,"PDBC41913","88871","Present"
-"N-(4-Methoxy-1-naphthyl)-N'-methylthiourea","","","","","","","","","","","","","","","","","","","","N-(4-Methoxy-1-naphthyl)-N'-methylthiourea","","CNC(=S)NC1=CC=C(C2=CC=CC=C21)OC","RLLMLSPAIJAIPD-UHFFFAOYSA-N","3003857",NA,"PDBC41914","159953","Present"
-"N-(4-Methoxybenzyl)-3,4-dimethoxyaniline-hydrochloride","","","","","","","","","","","","","","","","","","","","N-(4-Methoxybenzyl)-3,4-dimethoxyaniline-hydrochloride","","COC1=CC=C(C=C1)CNC2=CC(=CC(=C2)OC)OC.Cl","SCXUDSSWOHULLT-UHFFFAOYSA-N","364709",NA,"PDBC41915","631367","Present"
-"N-(4-Methoxybenzyl)-3,5-dimethoxyaniline","","","","","","","","","","","","","","","","","","","","N-(4-Methoxybenzyl)-3,5-dimethoxyaniline","","COC1=CC=C(C=C1)CNC2=CC(=CC(=C2)OC)OC","URDGSWSJNMUJLE-UHFFFAOYSA-N","364710",NA,"PDBC41916","631368","Present"
-"N-(4-Methoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","N-(4-Methoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine","","COC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C4=CC=CS4","CWFYUPAGZDCBJS-UHFFFAOYSA-N","384959",NA,"PDBC41917","675783","Present"
-"N-(4-Methoxybenzyl)-3-hydroxypyridinium bromide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxybenzyl)-3-hydroxypyridinium bromide","","COC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)O.[Br-]","ZWIINCUFMLWFET-UHFFFAOYSA-N","376757",NA,"PDBC41918","657814","Present"
-"N-(4-Methoxybenzyl)alanine","","","","","","","","","","","","","","","","","","","","STL417204","","CC(C(=O)O)NCC1=CC=C(C=C1)OC","DVWKAPURRINTQG-UHFFFAOYSA-N","257796",NA,"PDBC41919","86380","Present"
-"N-(4-Methoxyphenyl)-2,4,6-trimethylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-2,4,6-trimethylbenzenesulfinamide","","CC1=CC(=C(C(=C1)C)S(=O)NC2=CC=C(C=C2)OC)C","PQPPEWKFHKYMJR-UHFFFAOYSA-N","385384",NA,"PDBC41920","676558","Present"
-"N-(4-Methoxyphenyl)-2-((5-methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-2-[(5-methyl-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide","","CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)OC)SC(=S)N2C4=CC=CC=C4","FNWBMWVOKIHILT-UHFFFAOYSA-N","378705",NA,"PDBC41921","661810","Present"
-"N-(4-Methoxyphenyl)-2-phenylethanesulfinamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-2-phenylethanesulfinamide","","COC1=CC=C(C=C1)NS(=O)CCC2=CC=CC=C2","HZDKWFXWBCCNLU-UHFFFAOYSA-N","385394",NA,"PDBC41922","676568","Present"
-"N-(4-Methoxyphenyl)-3-(2-thienyl)-2-quinoxalinamine","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-3-(2-thienyl)-2-quinoxalinamine","","COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","ZQOXRHOAQLZARW-UHFFFAOYSA-N","371170",NA,"PDBC41923","645171","Present"
-"N-(4-Methoxyphenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","CC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)OC)C5=CC=CC=C5","QAPMHUQSAAKZOW-UHFFFAOYSA-N","369125",NA,"PDBC41924","640673","Present"
-"N-(4-Methoxyphenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)OC)C5=CC=CC=C5","IHHUUEYEUCMZKT-UHFFFAOYSA-N","369382",NA,"PDBC41925","641144","Present"
-"N-(4-Methoxyphenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","1H-Pyrazole-1-propanamide, 3,5-diphenyl- N-(4-methoxyphe...","","CC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)OC)C5=CC=CC=C5","JKPJITBEAVMWLZ-UHFFFAOYSA-N","367846",NA,"PDBC41926","637921","Present"
-"N-(4-Methoxyphenyl)-3-(5,6,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(4-methoxyphenyl)-3-(5,6,7-trimethoxychroman-2-yl)benz...","","COC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3CCC4=C(C(=C(C=C4O3)OC)OC)OC","UYVMJFWMWINCSW-UHFFFAOYSA-N","155814000",NA,"PDBC41927","802642","Present"
-"N-(4-Methoxyphenyl)-3-methylbenzenesulfinamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-3-methylbenzenesulfinamide","","CC1=CC(=CC=C1)S(=O)NC2=CC=C(C=C2)OC","KDPXJECXKJPMGH-UHFFFAOYSA-N","385395",NA,"PDBC41928","676569","Present"
-"N-(4-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide","","COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6","OJOCROVDUDKBKX-UHFFFAOYSA-N","389694",NA,"PDBC41929","686238","Present"
-"N-(4-Methoxyphenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide","","COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N3CCCCC3)C4=CC=CC=C4","QJYYTKPLABDMRQ-UHFFFAOYSA-N","386790",NA,"PDBC41930","679498","Present"
-"N-(4-Methoxyphenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide","","COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","IVOHMCZNMFBXFE-UHFFFAOYSA-N","389689",NA,"PDBC41931","686232","Present"
-"N-(4-Methoxyphenyl)-3-phenyl-1-propanesulfinamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-3-phenyl-1-propanesulfinamide","","COC1=CC=C(C=C1)NS(=O)CCCC2=CC=CC=C2","MSQKSPBBRATJHV-UHFFFAOYSA-N","385386",NA,"PDBC41932","676560","Present"
-"N-(4-Methoxyphenyl)-4-(methylamino)benzenesulfinamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-4-(methylamino)benzenesulfinamide","","CNC1=CC=C(C=C1)S(=O)NC2=CC=C(C=C2)OC","RBZRYEPFMZXTEW-UHFFFAOYSA-N","385379",NA,"PDBC41933","676553","Present"
-"N-(4-Methoxyphenyl)-5-(4-methoxyphenyl)imino-4-sulfanyldithiole-3-carbothioamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-5-(4-methoxyphenyl)imino-4-sulfanyldithiole-3-carbothioamide","","COC1=CC=C(C=C1)NC(=S)C2=C(C(=NC3=CC=C(C=C3)OC)SS2)S","RGMHZCNCZBDEKJ-UHFFFAOYSA-N","54681589",NA,"PDBC41934","717074","Present"
-"N-(4-Methoxyphenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide","","COC1=CC=C(C=C1)NC(=S)C2=CC=C(S2)CN3CCCCC3","UGJUQZUKYVMJJK-UHFFFAOYSA-N","5471264",NA,"PDBC41935","710021","Present"
-"N-(4-Methoxyphenyl)-5-nitrofuran-2-carbothioamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-5-nitrofuran-2-carbothioamide","","COC1=CC=C(C=C1)NC(=S)C2=CC=C(O2)[N+](=O)[O-]","OWQDEMZCGPNPOO-UHFFFAOYSA-N","5471621",NA,"PDBC41936","712207","Present"
-"N-(4-Methoxyphenyl)-6-((4-methoxyphenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-6-((4-methoxyphenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide","","COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)OC)OC2=O","ZZWDRURYLOLTAN-UHFFFAOYSA-N","379775",NA,"PDBC41937","664865","Present"
-"N-(4-Methoxyphenyl)-6-methyl-6H-indolo[2,3-B]quinolin-11-amine","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-6-methyl-6H-indolo[2,3-B]quinolin-11-amine","","CN1C2=CC=CC=C2C3=C(C4=CC=CC=C4N=C31)NC5=CC=C(C=C5)OC","ZOXGKOUNWFPEKB-UHFFFAOYSA-N","24204057",NA,"PDBC41938","730515","Present"
-"N-(4-Methoxyphenyl)-6H-indolo[2,3-b]quinolin-11-amine","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-6H-indolo[2,3-b]quinolin-11-amine","","COC1=CC=C(C=C1)NC2=C3C4=CC=CC=C4NC3=NC5=CC=CC=C52","CAUOQMWTNLBZLY-UHFFFAOYSA-N","24204053",NA,"PDBC41939","730510","Present"
-"N-(4-Methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-amine, 7,8-dihydro-...","","CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)OC)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","MQCLPRQZBLMVHK-UHFFFAOYSA-N","381391",NA,"PDBC41940","667931","Present"
-"N-(4-Methoxyphenyl)-N'-phenylthiourea","","","","","","","","","","","","","","","","","","","","TimTec1_001692","","COC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2","JMKRMQGOPWYOGL-UHFFFAOYSA-N","686507",NA,"PDBC41941","191411","Present"
-"N-(4-Methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-a...","","CC1=COC2=NC=NC(=C12)N(C)C3=CC=C(C=C3)OC","UVZUIESPIIIPQW-UHFFFAOYSA-N","44555430",NA,"PDBC41942","748403","Present"
-"N-(4-Methoxyphenyl)-N-(phenylsulfonyl)glycine","","","","","","","","","","","","","","","","","","","","CBMicro_002746","","COC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2","XJVMWSBOCNRPNF-UHFFFAOYSA-N","362731",NA,"PDBC41943","626986","Present"
-"N-(4-Methoxyphenyl)-N-[2-[[3-(phenyltelluro)propyl]amino]-2-oxoethyl]-3-[(2-methyl-1,4-dioxo-1,4-dihydronaphthalene-3-yl)thio]propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]propanamide","","CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)N(CC(=O)NCCC[Te]C3=CC=CC=C3)C4=CC=C(C=C4)OC","PSUFXDQNZRLCKA-UHFFFAOYSA-N","44226544",NA,"PDBC41944","750227","Present"
-"N-(4-Methoxyphenyl)-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]benzamide","","COC1=CC=C(C=C1)N(CC(=O)NCCC[Te]C2=CC=CC=C2)C(=O)C3=CC=CC=C3","NTDVMQHJDJVXBK-UHFFFAOYSA-N","54613364",NA,"PDBC41945","751132","Present"
-"N-(4-Methoxyphenyl)-N-methyl-6H-indolo[2,3-b]quinolin-11-amine","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-N-methyl-6H-indolo[2,3-b]quinolin-11-amine","","CN(C1=CC=C(C=C1)OC)C2=C3C4=CC=CC=C4NC3=NC5=CC=CC=C52","GVKBYMMGMFAHRK-UHFFFAOYSA-N","24204054",NA,"PDBC41946","730511","Present"
-"N-(4-Methoxyphenyl)-N-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-N-methylbenzenesulfonamide","","CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2","KJSQPVRSXVERSV-UHFFFAOYSA-N","383174",NA,"PDBC41947","671287","Present"
-"N-(4-Methoxyphenyl)-all-trans-retinamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)-all-trans-retinamide","","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)OC)C)C","DBQHWMPFMCOGIW-ABRSJASVSA-N","6385696",NA,"PDBC41948","743413","Present"
-"N-(4-Methoxyphenyl)[1,1'-biphenyl]-4-sulfinamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)[1,1'-biphenyl]-4-sulfinamide","","COC1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)C3=CC=CC=C3","DOXHNDPWVBHLCQ-UHFFFAOYSA-N","385396",NA,"PDBC41949","676570","Present"
-"N-(4-Methoxyphenyl)cyclohexanesulfinamide","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)cyclohexanesulfinamide","","COC1=CC=C(C=C1)NS(=O)C2CCCCC2","ZXELXIAASWWAMY-UHFFFAOYSA-N","385393",NA,"PDBC41950","676567","Present"
-"N-(4-Methoxyphenyl)furo[2,3-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)furo[2,3-b]quinolin-4-amine","","COC1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42","JWXFRYWGGFWRKA-UHFFFAOYSA-N","406544",NA,"PDBC41951","724692","Present"
-"N-(4-Methoxyphenyl)furo[3,2-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-(4-Methoxyphenyl)furo[3,2-c]quinolin-4-amine","","COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","AFEOFLGKCMYRMC-UHFFFAOYSA-N","24203913",NA,"PDBC41952","730143","Present"
-"N-(4-Methyl-2-pyridinyl)-N'-(4-(methylthio)phenyl)urea","","","","","","","","","","","","","","","","","","","","N-(4-Methyl-2-pyridinyl)-N'-(4-(methylthio)phenyl)urea","","CC1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)SC","OYDMDQQQNDFMEE-UHFFFAOYSA-N","285402",NA,"PDBC41953","142269","Present"
-"N-(4-Methylphenyl)-2-((5-methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Methylphenyl)-2-[(5-methyl-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide","","CC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2SC(=S)N3C4=CC=CC=C4)C","XMOZBELGYYTMOY-UHFFFAOYSA-N","378706",NA,"PDBC41954","661811","Present"
-"N-(4-Methylphenyl)-2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Methylphenyl)-2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]acetamide","","CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NC3=C2NC=N3","INSAUNCQTJDSFO-UHFFFAOYSA-N","403030",NA,"PDBC41955","717503","Present"
-"N-(4-Methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-imine","","","","","","","","","","","","","","","","","","","","[3-(4,5,6,7-Tetrahydro-benzo[b]thiophen-3-yl)-7H-[1,2,4]...","","CC1=CC=C(C=C1)N=C2CSC3=NN=C(N3N2)C4=CSC5=C4CCCC5","UFSYDDIWUMGANS-UHFFFAOYSA-N","155814187",NA,"PDBC41956","790949","Present"
-"N-(4-Methylphenyl)-3-(5-oxo-6-(3-phenyl-2-propenylidene)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methylphenyl)-3-[(6Z)-5-oxo-6-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide","","CC1=CC=C(C=C1)NC(=O)CCC2=NN=C3N2C(=O)C(=CC=CC4=CC=CC=C4)S3","XYXMMVZHRHNZGQ-VNVABUEJSA-N","5387697",NA,"PDBC41957","625828","Present"
-"N-(4-Methylphenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Methylphenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide","","CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N3CCCCC3)C4=CC=CC=C4","GHMIHOYVFLHYTF-UHFFFAOYSA-N","386789",NA,"PDBC41958","679497","Present"
-"N-(4-Methylphenyl)-4-(4-methylphenyl)imino-2-oxo-1,3,2lambda5-benzodioxaphosphinin-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-Methylphenyl)-4-(4-methylphenyl)imino-2-oxo-1,3,2lambda5-benzodioxaphosphinin-2-amine","","CC1=CC=C(C=C1)NP2(=O)OC3=CC=CC=C3C(=NC4=CC=C(C=C4)C)O2","IRMJWRVBPJNKOB-UHFFFAOYSA-N","382341",NA,"PDBC41959","669808","Present"
-"N-(4-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea","","","","","","","","","","","","","","","","","","","","N-(4-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea","","CC1=CC=C(C=C1)NC(=O)NC(C(F)(F)F)(C(F)(F)F)OC","JSTGUVJINKUCHS-UHFFFAOYSA-N","383550",NA,"PDBC41960","671968","Present"
-"N-(4-Methylphenyl)-N'-[(E)-1-(2-oxochromen-3-yl)ethylideneamino]propanediamide","","","","","","","","","","","","","","","","","","","","N-(4-Methylphenyl)-N'-[(E)-1-(2-oxochromen-3-yl)ethylideneamino]propanediamide","","CC1=CC=C(C=C1)NC(=O)CC(=O)NN=C(C)C2=CC3=CC=CC=C3OC2=O","CIROXRXBTBDTEN-OEAKJJBVSA-N","9569827",NA,"PDBC41961","621108","Present"
-"N-(4-Methylphenyl)sulfonyl-4-(oxan-2-yloxy)but-2-ynamide","","","","","","","","","","","","","","","","","","","","N-(4-Methylphenyl)sulfonyl-4-(oxan-2-yloxy)but-2-ynamide","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C#CCOC2CCCCO2","ZWDSETFGRILOIT-UHFFFAOYSA-N","332723",NA,"PDBC41962","331767","Present"
-"N-(4-Methylpiperazin-1-yl)-3-(1-phenylethyl)imidazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Methylpiperazin-1-yl)-3-(1-phenylethyl)imidazole-4-carboxamide","","CC(C1=CC=CC=C1)N2C=NC=C2C(=O)NN3CCN(CC3)C","OPDHBNHWHZEPBM-UHFFFAOYSA-N","379628",NA,"PDBC41963","664337","Present"
-"N-(4-Nitrobenzylidene)cyclohexanamine","","","","","","","","","","","","","","","","","","","","C13H16N2O2","","C1CCC(CC1)N=CC2=CC=C(C=C2)[N+](=O)[O-]","GSMPSKWDIFSIAR-UHFFFAOYSA-N","358260",NA,"PDBC41964","618203","Present"
-"N-(4-Nitrosonaphthalen-1-yl)hydroxylamine","","","","","","","","","","","","","","","","","","","","Naphthochinon-dioxim","","C1=CC=C2C(=C1)C(=CC=C2N=O)NO","NSDRTYGINCDIEJ-UHFFFAOYSA-N","314312",NA,"PDBC41965","231626","Present"
-"N-(4-Oxo-2-phenylquinazolin-3(4H)-yl)pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-Oxo-2-phenylquinazolin-3(4H)-yl)pyridine-2-carboxamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CC=N4","WKPWLGIJLAELRI-UHFFFAOYSA-N","376419",NA,"PDBC41966","657333","Present"
-"N-(4-Oxo-2-phenylquinazolin-3-yl)-4-(sulfanylmethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(4-Oxo-2-phenylquinazolin-3-yl)-4-(sulfanylmethyl)benzamide","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)CS","KHWLTIZOSUOODO-UHFFFAOYSA-N","376426",NA,"PDBC41967","657340","Present"
-"N-(4-Oxo-6-((1,3-thiazol-2-ylamino)sulfonyl)-3(4H)-quinazolinyl)-2-(1,3-thiazol-2-ylamino)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-Oxo-6-((1,3-thiazol-2-ylamino)sulfonyl)-3(4H)-quinazolinyl)-2-(1,3-thiazol-2-ylamino)acetamide","","C1=CC2=C(C=C1S(=O)(=O)NC3=NC=CS3)C(=O)N(C=N2)NC(=O)CNC4=NC=CS4","TZLBEQSYWLOGRH-UHFFFAOYSA-N","390416",NA,"PDBC41968","687770","Present"
-"N-(4-Sulfamoylphenyl)-4-thioureidobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-Sulfamoylphenyl)-4-thioureidobenzenesulfonamide","","C1=CC(=CC=C1NC(=S)N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N","YJVIZWSOLWXDRJ-UHFFFAOYSA-N","5470838",NA,"PDBC41969","705876","Present"
-"N-(4-Tert-Butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)-3-hydroxyphenylalanine","","","","","","","","","","","","","","","","","","","","N-(4-Tert-Butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)-3-hydroxyphenylalanine","","CC(C)(C)OC(=O)CC(C(=O)NC(C(C1=CC=CC=C1)O)C(=O)O)NC(=O)OC(C)(C)C","AUSGNBBHNZCEMP-UHFFFAOYSA-N","382294",NA,"PDBC41970","669756","Present"
-"N-(4-Tert-butyl-1-ethenylcyclohexyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-Tert-butyl-1-ethenylcyclohexyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC2(CCC(CC2)C(C)(C)C)C=C","CXNAQJPZCJVJQC-UHFFFAOYSA-N","359233",NA,"PDBC41971","619942","Present"
-"N-(4-Tert-butyl-1-ethenylcyclohexyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(4-Tert-butyl-1-ethenylcyclohexyl)benzamide","","CC(C)(C)C1CCC(CC1)(C=C)NC(=O)C2=CC=CC=C2","CRPVCOSJOCCCHR-UHFFFAOYSA-N","359237",NA,"PDBC41972","619946","Present"
-"N-(4-Tert-butyl-1-formylcyclohexyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(4-Tert-butyl-1-formylcyclohexyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC2(CCC(CC2)C(C)(C)C)C=O","QHFDCNQEZKSQGC-UHFFFAOYSA-N","358272",NA,"PDBC41973","618216","Present"
-"N-(4-{(Z)-[2-(4-Chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl)-N-(2-cyanoethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[(Z)-[2-(4-Chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]-N-(2-cyanoethyl)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=C3C(=O)OC(=N3)C4=CC=C(C=C4)Cl","NJNISDAJWQOXRV-QJOMJCCJSA-N","6165104",NA,"PDBC41974","642582","Present"
-"N-(4-{[(Dimethyl-lambda~4~-sulfanylidene)amino]sulfonyl}phenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(4-{[(Dimethyl-lambda~4~-sulfanylidene)amino]sulfonyl}phenyl)acetamide","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=S(C)C","AKXYELYOSMQBDD-UHFFFAOYSA-N","265127",NA,"PDBC41975","100942","Present"
-"N-(5,10-Dimethylindolo[2,3-b][1,8]naphthyridin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(5,10-Dimethylindolo[2,3-b][1,8]naphthyridin-2-yl)acetamide","","CC1=C2C=CC(=NC2=NC3=C1C4=CC=CC=C4N3C)NC(=O)C","YMINHMSRJLITEX-UHFFFAOYSA-N","387366",NA,"PDBC41976","681118","Present"
-"N-(5-(((Dimethylamino)carbothioyl)imino)-4-methyl-1,2,4-dithiazolidin-3-ylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(5-(((Dimethylamino)carbothioyl)imino)-4-methyl-1,2,4-dithiazolidin-3-ylidene)benzenesulfonamide","","CN1C(=NC(=S)N(C)C)SSC1=NS(=O)(=O)C2=CC=CC=C2","SBKWMFIUFUWODE-XSYHWHKQSA-N","9569879",NA,"PDBC41977","622671","Present"
-"N-(5-((2,6-Dihydroxy-4-pyrimidinyl)amino)-2-methylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(5-((2,6-Dihydroxy-4-pyrimidinyl)amino)-2-methylphenyl)acetamide","","CC1=C(C=C(C=C1)NC2=CC(=O)NC(=O)N2)NC(=O)C","IQXXVALDZLENRK-UHFFFAOYSA-N","385852",NA,"PDBC41978","677251","Present"
-"N-(5-((2-Anilino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl)methyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl)-N-phenylamine","","","","","","","","","","","","","","","","","","","","5-[[2-Anilino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine","","COC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC=C3)CC4=C(N=C(S4)NC5=CC=CC=C5)C6=CC=C(C=C6)OC","IZBGBDMTWVCUTN-UHFFFAOYSA-N","376963",NA,"PDBC41979","658163","Present"
-"N-(5-(1H-Benzimidazol-2-yl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-4-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(5-(1H-Benzimidazol-2-yl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-4-yl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=C(SC(=S)N2C3=CC=CC=C3)C4=NC5=CC=CC=C5N4","POXQBCXFEVHDMD-UHFFFAOYSA-N","365511",NA,"PDBC41980","633191","Present"
-"N-(5-(2,4-Dimethoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(5-(2,4-Dimethoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=C(C=C(C=C3)OC)OC)S2)NC(=O)CC4=CC=CC=C4","IXMBTSQVXBHARS-JLPGSUDCSA-N","5467500",NA,"PDBC41981","653928","Present"
-"N-(5-(2-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(5-(2-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC=CC=C3O)S2)NC(=O)CC4=CC=CC=C4","JKXGNUGIDWUJAD-JWGURIENSA-N","5467494",NA,"PDBC41982","653922","Present"
-"N-(5-(3-(3,4-Dimethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)-N'-(2-fluorobenzoyl)thiourea","","","","","","","","","","","","","","","","","","","","N-(5-(3-(3,4-Dimethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)-N'-(2-fluorobenzoyl)thiourea","","CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CC=C2F)C(=O)C=CC3=CC(=C(C=C3)OC)OC","OTRVKFZHUADVFF-CSKARUKUSA-N","5924770",NA,"PDBC41983","640551","Present"
-"N-(5-(3-(Hydroxy(oxido)amino)benzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[(5Z)-2-(4-Methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide","","COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])S2)NC(=O)CC4=CC=CC=C4","JNXJZXZGCWSPOU-JCMHNJIXSA-N","5467498",NA,"PDBC41984","653926","Present"
-"N-(5-(3-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(5-(3-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)O)S2)NC(=O)CC4=CC=CC=C4","KKTNGNNGKIPZHV-JCMHNJIXSA-N","5467499",NA,"PDBC41985","653927","Present"
-"N-(5-(3-Methoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(5-(3-Methoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC)S2)NC(=O)CC4=CC=CC=C4","ATHLWXUWDDTNDL-KQWNVCNZSA-N","5467502",NA,"PDBC41986","653930","Present"
-"N-(5-(4-(Hydroxy(oxido)amino)benzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[(5Z)-2-(4-Methoxyphenyl)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide","","COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S2)NC(=O)CC4=CC=CC=C4","WLJPFGZFSLROGT-JCMHNJIXSA-N","5467497",NA,"PDBC41987","653925","Present"
-"N-(5-(4-Chlorophenyl)-2,4-pentadienoyl)-N'-cyanoguanidine","","","","","","","","","","","","","","","","","","","","N-(5-(4-Chlorophenyl)-2,4-pentadienoyl)-N'-cyanoguanidine","","C1=CC(=CC=C1C=CC=CC(=O)NC(=NC#N)N)Cl","XCVDKNVIGXOIHY-ZPUQHVIOSA-N","135408732",NA,"PDBC41988","3627","Present"
-"N-(5-(4-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(5-(4-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC=C(C=C3)O)S2)NC(=O)CC4=CC=CC=C4","USNKAGHCIDPJNQ-JCMHNJIXSA-N","5467496",NA,"PDBC41989","653924","Present"
-"N-(5-(4-Methoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(5-(4-Methoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide","","COC1=CC=C(C=C1)C=C2C(=O)N(C(S2)C3=CC=C(C=C3)OC)NC(=O)CC4=CC=CC=C4","UOWWEDGQVOWKPM-KQWNVCNZSA-N","5467495",NA,"PDBC41990","653923","Present"
-"N-(5-(Acetylamino)-2-methoxy-1-methyl-1,6-dihydro-4-pyrimidinyl)pentopyranosylamine","","","","","","","","","","","","","","","","","","","","N-[2-Methoxy-3-methyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]-4H-pyrimidin-5-yl]acetamide","","CC(=O)NC1=C(N=C(N(C1)C)OC)NC2C(C(C(CO2)O)O)O","RMKNVDKMSJYFMY-UHFFFAOYSA-N","377200",NA,"PDBC41991","658428","Present"
-"N-(5-(Acetylamino)-3,6-dicyano-1,4-dihydro-2-pyrazinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(5-(Acetylamino)-3,6-dicyano-1,4-dihydro-2-pyrazinyl)acetamide","","CC(=O)NC1=C(NC(=N1)C#N)C#N","WNZDAVHXNPEVHT-UHFFFAOYSA-N","385944",NA,"PDBC41992","677416","Present"
-"N-(5-(Benzoylamino)-3,6-dicyano-1,4-dihydro-2-pyrazinyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(5-(Benzoylamino)-3,6-dicyano-1,4-dihydro-2-pyrazinyl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=C(N=C(N2C(=O)C3=CC=CC=C3)C#N)C#N","ZORMNUDNQAVKKT-UHFFFAOYSA-N","385945",NA,"PDBC41993","677417","Present"
-"N-(5-(Hydroxy(oxido)amino)-2-methylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(5-(Hydroxy(oxido)amino)-2-methylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-oxopropanamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)CC2=C(C(=O)C=CO2)O","YBUWCQKKPIQACJ-UHFFFAOYSA-N","371557",NA,"PDBC41994","645886","Present"
-"N-(5-(Hydroxy(oxido)amino)-6-quinolinyl)-N-methylacetamide","","","","","","","","","","","","","","","","","","","","N-(5-(Hydroxy(oxido)amino)-6-quinolinyl)-N-methylacetamide","","CC(=O)N(C)C1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]","QDFOHFUHFUIQLT-UHFFFAOYSA-N","368564",NA,"PDBC41995","639643","Present"
-"N-(5-Acetyl-2-ethoxyphenyl)-3-(2-ethyltetrazol-5-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(5-acetyl-2-ethoxyphenyl)-3-(2-ethyl-2H-tetrazol-5-yl)...","","CCN1N=C(N=N1)C2=CC(=CC=C2)C(=O)NC3=C(C=CC(=C3)C(=O)C)OCC","JJDIXIAGKIHHRU-UHFFFAOYSA-N","155814815",NA,"PDBC41996","788105","Present"
-"N-(5-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydro-4-pyrimidinyl)pentopyranosylamine","","","","","","","","","","","","","","","","","","","","5-Amino-3-methyl-2-methylsulfanyl-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]pyrimidin-4-one","","CN1C(=O)C(=C(N=C1SC)NC2C(C(C(CO2)O)O)O)N","YHJJABWUPHGAQK-UHFFFAOYSA-N","361525",NA,"PDBC41997","624649","Present"
-"N-(5-Amino-1-quinoxalin-2-yl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(5-Amino-1-quinoxalin-2-yl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=NC4=CC=CC=C4N=C3","JDXCACKYBVTQAC-UHFFFAOYSA-N","384320",NA,"PDBC41998","674004","Present"
-"N-(5-Amino-1H-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(5-Amino-1H-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)N","MKUKUBSCOBAPOO-UHFFFAOYSA-N","378472",NA,"PDBC41999","661072","Present"
-"N-(5-Amino-4-cyano-1,3-thiazol-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(5-Amino-4-cyano-1,3-thiazol-2-yl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)N)C#N","NXOBNJJGHUQRSF-UHFFFAOYSA-N","379275",NA,"PDBC42000","663781","Present"
-"N-(5-Amino-6-hydroxy-2-(methylthio)-4-pyrimidinyl)pentopyranosylamine","","","","","","","","","","","","","","","","","","","","2-[(5-Amino-6-hydroxy-2-methylsulfanyl-pyrimidin-4-yl)amino]tetrahydropyran-3,4,5-triol","","CSC1=NC(=C(C(=O)N1)N)NC2C(C(C(CO2)O)O)O","TZLFZCHHZJNLME-UHFFFAOYSA-N","135429954",NA,"PDBC42001","624647","Present"
-"N-(5-Aminobenzo[a]phenoxazin-9-ylidene)acetamide","","","","","","","","","","","","","","","","","","","","N-(5-Aminobenzo[a]phenoxazin-9-ylidene)acetamide","","CC(=O)N=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1","VPKBNFVPXKODST-UHFFFAOYSA-N","435113",NA,"PDBC42002","364163","Present"
-"N-(5-Aminooxypentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(5-Aminooxypentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride","","CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCCON)OCCCN)C.Cl","HJOIXHQSCXIPHV-UHFFFAOYSA-N","397938",NA,"PDBC42003","707019","Present"
-"N-(5-Aminopentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(5-Aminopentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride","","CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCCN)OCCCN)C.Cl","RESIDKJSIXHVOW-UHFFFAOYSA-N","396614",NA,"PDBC42004","703117","Present"
-"N-(5-Anilino-1H-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(5-Anilino-1H-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=CC=C3","MOGUXFMGDHBSDL-UHFFFAOYSA-N","378473",NA,"PDBC42005","661073","Present"
-"N-(5-Benzoylimino-1,2,4-dithiazol-3-yl)benzamide;hydrobromide","","","","","","","","","","","","","","","","","","","","N-(5-Benzoylimino-1,2,4-dithiazol-3-yl)benzamide;hydrobromide","","C1=CC=C(C=C1)C(=O)NC2=NC(=NC(=O)C3=CC=CC=C3)SS2.Br","NAIYYQDBEFVRTB-UHFFFAOYSA-N","360449",NA,"PDBC42006","622585","Present"
-"N-(5-Benzyl-4,6-dichloro-2-pyrimidinyl)-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(5-Benzyl-4,6-dichloro-2-pyrimidinyl)-1H-benzimidazol-2-amine","","C1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)NC3=NC4=CC=CC=C4N3)Cl","QMAZZHULTDZAGY-UHFFFAOYSA-N","387151",NA,"PDBC42007","680665","Present"
-"N-(5-Carboxy-5-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentyl)-phthalamic acid","","","","","","","","","","","","","","","","","","","","N-(5-Carboxy-5-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentyl)-phthalamic acid","","C1=CC=C(C(=C1)C(=O)NCCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O","LZWQNHLDOZAEHC-UHFFFAOYSA-N","381234",NA,"PDBC42008","667641","Present"
-"N-(5-Chloro-2,4-dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(5-Chloro-2,4-dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine","","COC1=CC(=C(C=C1NC2=NCCO2)Cl)OC","XMRLGUWAWWKKIU-UHFFFAOYSA-N","379453",NA,"PDBC42009","664003","Present"
-"N-(5-Chloro-2-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-(5-Chloro-2-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide","","C1=CC(=CC=C1CC(=O)NC2=C(C=CC(=C2)Cl)O)NC3=CC(=NC=C3)C(F)(F)F","VEYADXGNJJCAGX-UHFFFAOYSA-N","54612914",NA,"PDBC42010","748705","Present"
-"N-(5-Chloro-2-hydroxyphenyl)-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-(5-Chloro-2-hydroxyphenyl)-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","C1=CC=C(C(=C1)C(=O)NC2=C(C=CC(=C2)Cl)O)NC3=CC(=NC=C3)C(F)(F)F","ZJZIMQSRCOTZSM-UHFFFAOYSA-N","54613339",NA,"PDBC42011","748710","Present"
-"N-(5-Chloro-2-hydroxyphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-(5-Chloro-2-hydroxyphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","C1=CC(=CC(=C1)NC2=CC(=NC=C2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)Cl)O","RLETXJJKZDULQY-UHFFFAOYSA-N","54613408",NA,"PDBC42012","748713","Present"
-"N-(5-Chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-(5-Chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)O)NC3=CC(=NC=C3)C(F)(F)F","GXRCZOKUMMVJAQ-UHFFFAOYSA-N","54613409",NA,"PDBC42013","748714","Present"
-"N-(5-Fluoro-9-oxo-fluoren-2-YL)acetamide","","","","","","","","","","","","","","","","","","","","N-(5-Fluoro-9-oxo-fluoren-2-YL)acetamide","","CC(=O)NC1=CC2=C(C=C1)C3=C(C2=O)C=CC=C3F","BYWXSAXWZVTROL-UHFFFAOYSA-N","349827",NA,"PDBC42014","409678","Present"
-"N-(5-Formyl-1H-benzimidazol-4-yl)-2,2-dimethylpropanamide","","","","","","","","","","","","","","","","","","","","N-(5-Formyl-1H-benzimidazol-4-yl)-2,2-dimethylpropanamide","","CC(C)(C)C(=O)NC1=C(C=CC2=C1N=CN2)C=O","LIVXKXYJBOQCSR-UHFFFAOYSA-N","395720",NA,"PDBC42015","700518","Present"
-"N-(5-Isoquinolyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide","","","","","","","","","","","","","","","","","","","","8-Chloro-N-isoquinolin-5-yl-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O","BPBSWQLSCHIIFU-UHFFFAOYSA-N","403249",NA,"PDBC42016","717950","Present"
-"N-(5-Methoxynaphthalen-2-yl)-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","N-(5-methoxynaphthalen-2-yl)-N,2-dimethylthieno[3,2-d]py...","","CC1=NC2=C(C(=N1)N(C)C3=CC4=C(C=C3)C(=CC=C4)OC)SC=C2","MTHGUBBFWBERGE-UHFFFAOYSA-N","126610876",NA,"PDBC42017","800145","Present"
-"N-(5-Methyl-10H-indolo[2,3-b][1,8]naphthyridin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(5-Methyl-10H-indolo[2,3-b][1,8]naphthyridin-2-yl)acetamide","","CC1=C2C=CC(=NC2=NC3=C1C4=CC=CC=C4N3)NC(=O)C","XDNDEHOBFXNQQS-UHFFFAOYSA-N","387365",NA,"PDBC42018","681117","Present"
-"N-(5-Phenyl-1,2,4-oxadiazol-3-yl)-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-(5-Phenyl-1,2,4-oxadiazol-3-yl)-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzamide","","C1=CC=C(C=C1)C2=NC(=NO2)NCC3=CC=CC=C3C(=O)NC4=NOC(=N4)C5=CC=CC=C5","LCWVYDJPKIOMNG-UHFFFAOYSA-N","384178",NA,"PDBC42019","673508","Present"
-"N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[(pyrrolidine-1-yl)(thiocarbonyl)]thio]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] pyrrolidine-1-carbodithioate","","C1CCN(C1)C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4","CGTJIVDKIZSKBK-UHFFFAOYSA-N","399287",NA,"PDBC42020","709976","Present"
-"N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[morpholino(thiocarbonyl)]thio]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] morpholine-4-carbodithioate","","C1COCCN1C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4","CMVGELONSMNLBS-UHFFFAOYSA-N","399285",NA,"PDBC42021","709974","Present"
-"N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[morpholino(thiocarbonyl)]thio]propanamide","","","","","","","","","","","","","","","","","","","","[1-Methyl-2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] morpholine-4-carbodithioate","","CC(C(=O)NC1=NN=C(O1)C2=CC=CC=C2)SC(=S)N3CCOCC3","FJJSHCMKYLCZMJ-UHFFFAOYSA-N","399289",NA,"PDBC42022","709978","Present"
-"N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[piperidino(thiocarbonyl)]thio]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] piperidine-1-carbodithioate","","C1CCN(CC1)C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4","FFAWKOIHTNVGLG-UHFFFAOYSA-N","399286",NA,"PDBC42023","709975","Present"
-"N-(5-Phenyl-5H-chromeno[4,3-d]pyrimidin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(5-Phenyl-5H-chromeno[4,3-d]pyrimidin-2-yl)acetamide","","CC(=O)NC1=NC=C2C(OC3=CC=CC=C3C2=N1)C4=CC=CC=C4","FFLDHULLIYWEEX-UHFFFAOYSA-N","390593",NA,"PDBC42024","688116","Present"
-"N-(5-Phenyl[1,3]thiazolo[2,3-c][1,2,4]thiadiazol-3-ylidene)aniline","","","","","","","","","","","","","","","","","","","","N-(5-Phenyl[1,3]thiazolo[2,3-c][1,2,4]thiadiazol-3-ylidene)aniline","","C1=CC=C(C=C1)C2=CSC3=NSC(=NC4=CC=CC=C4)N23","UCOCJRGGKDWTKJ-UHFFFAOYSA-N","365525",NA,"PDBC42025","633213","Present"
-"N-(5-Piperazin-1-ylpyridin-2-yl)-4-(thieno[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(5-(piperazin-1-yl)pyridin-2-yl)-4-(thieno[2,3-d]pyrim...","","C1CN(CCN1)C2=CN=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C=CSC5=NC=N4","YXAACVQRIBVFBC-UHFFFAOYSA-N","155815576",NA,"PDBC42026","799648","Present"
-"N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","LS-25666","","C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N","PMNNJWNEWDGYIV-UHFFFAOYSA-N","394898",NA,"PDBC42027","698990","Present"
-"N-(5H-Chromeno[4,3-d]pyrimidin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(5H-Chromeno[4,3-d]pyrimidin-2-yl)acetamide","","CC(=O)NC1=NC=C2COC3=CC=CC=C3C2=N1","PLDGGNLICCXHKK-UHFFFAOYSA-N","390592",NA,"PDBC42028","688115","Present"
-"N-(6'-Chrysenyl)-4-(1'-piperidinyl)-D-2,4-dicarboximide","","","","","","","","","","","","","","","","","","","","N-(6'-Chrysenyl)-4-(1'-piperidinyl)-D-2,3-dioxalono-buta...","","CC1(OC(C(O1)C(=O)N2CCCCC2)C(=O)NC3=CC4=C(C=CC5=CC=CC=C54)C6=CC=CC=C63)C","BTAWMAVYABIPDI-UHFFFAOYSA-N","404330",NA,"PDBC42029","720529","Present"
-"N-(6'-Chrysenyl)-4-(1'-piperidinyl)-butane-1,4-diamine","","","","","","","","","","","","","","","","","","","","N-(6'-chrysenyl)-4-(1'-piperidinyl)-butane-1,4-diamine","","C1CCN(CC1)CCCCNC2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52","AGHPKSJNZFUSGI-UHFFFAOYSA-N","9977215",NA,"PDBC42030","729107","Present"
-"N-(6,10-Bis((2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)((4-methylphenyl)sulfonyl)amino)-12c-methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyren-2-yl)-N-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[11,17-Bis[2-(1,3-dioxoisoindol-2-yl)ethyl-(4-methylphenyl)sulfonylamino]-1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-N-[2-(1,3","","CC1=CC=C(C=C1)S(=O)(=O)N(CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC5=C6C(=C4)OC7=CC(=CC8=C7C6(C9=C(O8)C=C(C=C9O5)N(CCN1C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)C1=CC=C(C=C1)C)C)N(CCN1C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)C1=CC=C(C=C1)C","GVMDNIZHNPOALQ-UHFFFAOYSA-N","16129828",NA,"PDBC42031","695174","Present"
-"N-(6,7,8,9,10,11-Hexahydro-5H-cycloocta[b]indol-4-yl)formamide","","","","","","","","","","","","","","","","","","","","N-(6,7,8,9,10,11-Hexahydro-5H-cycloocta[b]indol-4-yl)formamide","","C1CCCC2=C(CC1)C3=C(N2)C(=CC=C3)NC=O","HSXZREWLLXMWMN-UHFFFAOYSA-N","362833",NA,"PDBC42032","627203","Present"
-"N-(6,7-Dichloro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethyl)formamide;hydrobromide","","","","","","","","","","","","","","","","","","","","N-(6,7-Dichloro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethyl)formamide;hydrobromide","","C1CCN(C1)CCN(C=O)C2CCC3=CC(=C(C=C3C2)Cl)Cl.Br","PXBZKORSPLEQMJ-UHFFFAOYSA-N","398842",NA,"PDBC42033","708980","Present"
-"N-(6,7-Dimethoxy-1-methylisoquinolin-3-yl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]benzamide","","","","","","","","","","","","","","","","","","","","N-(6,7-dimethoxy-1-methyl-3-isoquinolyl)-4-[(1-ethyl-3-m...","","CCN1C=C(C(=N1)C)CNC2=CC=C(C=C2)C(=O)NC3=CC4=CC(=C(C=C4C(=N3)C)OC)OC","DZLSFVOKUDZNCQ-UHFFFAOYSA-N","155811860",NA,"PDBC42034","783318","Present"
-"N-(6,7-Dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide","","","","","","","","","","","","","","","","","","","","N-(6,7-Dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide","","COC1=C(C=C2C(=C1)C(=NC=N2)NS(=O)(=O)C3=CC4=CC=CC=C4S3)OC","QWIIOSAZKCEDQT-UHFFFAOYSA-N","396721",NA,"PDBC42035","703330","Present"
-"N-(6-(((3,4-Dichlorophenyl)sulfonyl)amino)-2-oxo-2H-chromen-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(6-(((3,4-Dichlorophenyl)sulfonyl)amino)-2-oxo-2H-chromen-3-yl)acetamide","","CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)OC1=O","JEDUWQLGKBWCIG-UHFFFAOYSA-N","338565",NA,"PDBC42036","361667","Present"
-"N-(6-(Hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide","","","","","","","","","","","","","","","","","","","","N-(6-Nitro-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=NC=C3)C(=O)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]","IYGRIYUTRPRIDT-UHFFFAOYSA-N","370980",NA,"PDBC42037","644786","Present"
-"N-(6-Amino-2-oxochromen-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","Maybridge3_000341","","CC(=O)NC1=CC2=C(C=CC(=C2)N)OC1=O","LZDJQRLPKGUGHL-UHFFFAOYSA-N","338232",NA,"PDBC42038","359701","Present"
-"N-(6-Aminohexyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(6-Aminohexyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride","","CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCCCN)OCCCN)C.Cl","PDFGEHTVFCTSGC-UHFFFAOYSA-N","396620",NA,"PDBC42039","703120","Present"
-"N-(6-Aminohexyl)-N-[3-[6-aminohexyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(6-Aminohexyl)-N-[3-[6-aminohexyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCCCCN)OCCCON(CCCCCCN)S(=O)(=O)C2=C(C=C(C=C2C)C)C)C.Cl","NUZSVIQMMMIAFK-UHFFFAOYSA-N","397944",NA,"PDBC42040","707023","Present"
-"N-(6-Bromo-2-isopropoxy-3-methoxybenzylidene)-N-(6,7-dimethoxy-1-naphthyl)amine","","","","","","","","","","","","","","","","","","","","N-(6-Bromo-2-isopropoxy-3-methoxybenzylidene)-N-(6,7-dimethoxy-1-naphthyl)amine","","CC(C)OC1=C(C=CC(=C1C=NC2=CC=CC3=CC(=C(C=C32)OC)OC)Br)OC","HWYXBMLVVIZHBQ-UHFFFAOYSA-N","371225",NA,"PDBC42041","645282","Present"
-"N-(6-Butyl-7-oxo-5-pentyl-8H-1,8-naphthyridin-2-yl)pentanamide","","","","","","","","","","","","","","","","","","","","N-(6-Butyl-7-oxo-5-pentyl-8H-1,8-naphthyridin-2-yl)pentanamide","","CCCCCC1=C(C(=O)NC2=C1C=CC(=N2)NC(=O)CCCC)CCCC","YWJGXQKPPGQLIE-UHFFFAOYSA-N","5470384",NA,"PDBC42042","700540","Present"
-"N-(6-Chloro-2-methoxy-9-acridinyl)-N-(2'-((6-chloro-2-methoxy-9-acridinyl)amino)[1,1'-biphenyl]-2-yl)amine","","","","","","","","","","","","","","","","","","","","6-Chloro-N-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]phenyl]-2-methoxyacridin-9-amine","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC=CC=C4C5=CC=CC=C5NC6=C7C=C(C=CC7=NC8=C6C=CC(=C8)Cl)OC","WAONKDINIIPATP-UHFFFAOYSA-N","371158",NA,"PDBC42043","645159","Present"
-"N-(6-Chloro-2-methoxyacridin-9-yl)-2-(4-chlorophenyl)sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-(6-Chloro-2-methoxyacridin-9-yl)-2-(4-chlorophenyl)sulfanylacetamide","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC(=O)CSC4=CC=C(C=C4)Cl","YVLPZOZBSYHHFX-UHFFFAOYSA-N","224738",NA,"PDBC42044","13468","Present"
-"N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-(4-fluorophenyl)butane-1,4-diamine","","","","","","","","","","","","","","","","","","","","N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-(4-fluorophenyl)butane-1,4-diamine","","CCN(CC)CCCC(C1=CC=C(C=C1)F)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC","IUQXIOUBUALYAC-UHFFFAOYSA-N","222439",NA,"PDBC42045","8360","Present"
-"N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyloctane-1,8-diamine","","","","","","","","","","","","","","","","","","","","N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyloctane-1,8-diamine","","CCN(CC)CCCCCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC","UGQUKIBVEBEAQH-UHFFFAOYSA-N","245075",NA,"PDBC42046","56619","Present"
-"N-(6-Cyano-7-oxo-8H-1,8-naphthyridin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(6-Cyano-7-oxo-8H-1,8-naphthyridin-2-yl)acetamide","","CC(=O)NC1=NC2=C(C=C1)C=C(C(=O)N2)C#N","PNCILZZYGTYMIV-UHFFFAOYSA-N","5470383",NA,"PDBC42047","700538","Present"
-"N-(6-Ethoxy-1,3-benzothiazol-2-yl)-2-(hydroxyimino)-6-(1-hydroxy-3-oxo-3,4-dihydro-2-naphthalenyl)-4-oxo-6-phenylhexanamide","","","","","","","","","","","","","","","","","","","","(2Z)-N-(6-Ethoxy-1,3-benzothiazol-2-yl)-2-hydroxyimino-6-(1-hydroxy-3-oxo-4H-naphthalen-2-yl)-4-oxo-6-phenylhexanamide","","CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=NO)CC(=O)CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5CC4=O)O","LKCZJXYPGIUBTK-NQUVTRGKSA-N","9571370",NA,"PDBC42048","649566","Present"
-"N-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide","","","","","","","","","","","","","","","","","","","","N-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide","","CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]","DLUKXIDVIYRRFN-UHFFFAOYSA-N","372892",NA,"PDBC42049","648604","Present"
-"N-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC=CC=C5F","ZELWNOUFNSTJBZ-UHFFFAOYSA-N","369259",NA,"PDBC42050","640990","Present"
-"N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=C(NC(=S)NC2=O)O","KPSSUDWBZBAXIH-UHFFFAOYSA-N","3781573",NA,"PDBC42051","645845","Present"
-"N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)furan-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)furan-2-carboxamide","","C1=COC(=C1)C(=O)NC2=C(NC(=S)NC2=O)O","IWQJMRZFBIFWCQ-UHFFFAOYSA-N","3338852",NA,"PDBC42052","645847","Present"
-"N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)pyridine-2-carboxamide","","C1=CC=NC(=C1)C(=O)NC2=C(NC(=S)NC2=O)O","ZOSVFKNOZVUAFZ-UHFFFAOYSA-N","3736078",NA,"PDBC42053","645848","Present"
-"N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)quinoline-2-carboxamide","","C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=C(NC(=S)NC3=O)O","DQLPQTPEHKWXIJ-UHFFFAOYSA-N","3274530",NA,"PDBC42054","645849","Present"
-"N-(6-Hydroxy-7-(2-hydroxyethyl)-7H-purin-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(6-Hydroxy-7-(2-hydroxyethyl)-7H-purin-2-yl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCO","IPXXHMZAKYXEIO-UHFFFAOYSA-N","135503472",NA,"PDBC42055","637514","Present"
-"N-(6-Hydroxy-7-(2-iodoethyl)-7H-purin-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(6-Hydroxy-7-(2-iodoethyl)-7H-purin-2-yl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCI","RLLIWRSGOAQQJP-UHFFFAOYSA-N","135447931",NA,"PDBC42056","637529","Present"
-"N-(6-Hydroxyhexyl)-4-acridinecarboxamide","","","","","","","","","","","","","","","","","","","","N-(6-Hydroxyhexyl)-4-acridinecarboxamide","","C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCCCCCO","WGWFFHQBAWNYOA-UHFFFAOYSA-N","393039",NA,"PDBC42057","694317","Present"
-"N-(6-Iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))(pheny lamino)formamide","","","","","","","","","","","","","","","","","","","","N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))(p...","","C1=CC=C(C=C1)NC(=O)NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4","RVBDCVSVRPTYRD-UHFFFAOYSA-N","404778",NA,"PDBC42058","721276","Present"
-"N-(6-Iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))-3-oxo butanamide","","","","","","","","","","","","","","","","","","","","N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))-3...","","CC(=O)CC(=O)NN1C(=NC2=C(C1=O)C=C(C=C2)I)C3=CC=CS3","JZKVQELXNJUCSY-UHFFFAOYSA-N","404795",NA,"PDBC42059","721313","Present"
-"N-(6-Iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))benzam ide","","","","","","","","","","","","","","","","","","","","N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))be...","","C1=CC=C(C=C1)C(=O)NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4","VEHUVWFSCJHDCY-UHFFFAOYSA-N","404716",NA,"PDBC42060","721187","Present"
-"N-(6-Methoxy-1,3-benzothiazol-2-yl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(6-Methoxy-1,3-benzothiazol-2-yl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide","","COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC","WUQJMVLOYYCXAM-UHFFFAOYSA-N","362274",NA,"PDBC42061","625885","Present"
-"N-(6-Methoxy-8-methyl-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(6-Methoxy-8-methyl-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide","","CC(=O)NC1(CC(OC2C1OC(OC2)C3=CC=CC=C3)OC)C","IIDBUHOVDWBGLE-UHFFFAOYSA-N","384394",NA,"PDBC42062","674117","Present"
-"N-(6-Methyl-1,3-benzothiazol-2-yl)-4-(1-naphthyl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-(6-Methyl-1,3-benzothiazol-2-yl)-4-(1-naphthyl)-2,4-dioxobutanamide","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)CC(=O)C3=CC=CC4=CC=CC=C43","YWSHWGMGQURNPB-UHFFFAOYSA-N","362275",NA,"PDBC42063","625886","Present"
-"N-(6-Methyl-1,3-benzothiazol-2-yl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(6-Methyl-1,3-benzothiazol-2-yl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC6=CC=CC=C6C=C5","GWGHYOBSEXVFNQ-UHFFFAOYSA-N","369455",NA,"PDBC42064","641225","Present"
-"N-(6-Methyl-5-(2-(3,4,5-trimethoxyphenyl)vinyl)-1,2,4-triazin-3-yl)-N'-phenylthiourea","","","","","","","","","","","","","","","","","","","","N-(6-Methyl-5-(2-(3,4,5-trimethoxyphenyl)vinyl)-1,2,4-triazin-3-yl)-N'-phenylthiourea","","CC1=C(N=C(N=N1)NC(=S)NC2=CC=CC=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC","YMKWPSGAGJIMKZ-ZHACJKMWSA-N","6418039",NA,"PDBC42065","698029","Present"
-"N-(6-Nitro-3a,7a-dihydro-1,3-benzothiazol-2-yl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-(6-Nitro-3a,7a-dihydro-1,3-benzothiazol-2-yl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=NC4C=CC(=CC4S3)[N+](=O)[O-]","KAQJRROPBLJEFR-UHFFFAOYSA-N","3000690",NA,"PDBC42066","648624","Present"
-"N-(6-Oxo-1,7-dihydropurin-2-yl)hexanamide","","","","","","","","","","","","","","","","","","","","N-(6-Oxo-1,7-dihydropurin-2-yl)hexanamide","","CCCCCC(=O)NC1=NC2=C(C(=O)N1)NC=N2","WBAJLPIFONTDMH-UHFFFAOYSA-N","135455589",NA,"PDBC42067","618273","Present"
-"N-(6-Phenyl-1H-indazol-3-yl)cyclopropanecarboxamide","","","","","","","","","","","","","","","","","","","","SB-732941","","C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC=CC=C4","XMBGRSAVBPRZAS-UHFFFAOYSA-N","6539593",NA,"PDBC42068","756471","Present"
-"N-(6-Quinolyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide","","","","","","","","","","","","","","","","","","","","8-Chloro-5,5-dioxo-N-quinolin-6-ylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","C1=CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O)N=C1","SSVPHTUBDZILCA-UHFFFAOYSA-N","403248",NA,"PDBC42069","717949","Present"
-"N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-(1-piperidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-(1-piperidinyl)acetamide","","C1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCC4C3OC5=CC=CC=C5C4","JLVARTZWOQVSMC-UHFFFAOYSA-N","387595",NA,"PDBC42070","681604","Present"
-"N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-morpholin-4-yl-acetamide","","","","","","","","","","","","","","","","","","","","N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-morpholin-4-yl-acetamide","","C1COCCN1CC(=O)NC2=CC3=C(C=C2)OCC4C3OC5=CC=CC=C5C4","LNSGFDQMAJJFNX-UHFFFAOYSA-N","387596",NA,"PDBC42071","681605","Present"
-"N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-pyrrolidin-1-yl-acetamide","","","","","","","","","","","","","","","","","","","","N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-pyrrolidin-1-yl-acetamide","","C1CCN(C1)CC(=O)NC2=CC3=C(C=C2)OCC4C3OC5=CC=CC=C5C4","JTFHWXZWEXRSIO-UHFFFAOYSA-N","387594",NA,"PDBC42072","681603","Present"
-"N-(7,10-Dimethylphenothiazin-2-YL)diazenyl-N-methyl-methanamine","","","","","","","","","","","","","","","","","","","","AG-H-17956","","CC1=CC2=C(C=C1)N(C3=C(S2)C=CC(=C3)N=NN(C)C)C","XBJFMQQGZHQXAZ-UHFFFAOYSA-N","331424",NA,"PDBC42073","323768","Present"
-"N-(7,8-Dimethyl-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide","","","","","","","","","","","","","","","","","","","","N-(7,8-Dimethyl-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide","","CC1=CC2=C(C=C1C)N=CC(C(=O)N2)NC(=O)C=CC3=CC=CC=C3","AVJOPEFEVYSOOB-CMDGGOBGSA-N","6080447",NA,"PDBC42074","636998","Present"
-"N-(7-(2-((2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl)amino)ethyl)-6-hydroxy-7H-purin-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-[7-[2-[2-(2-Benzamido-6-oxo-1H-purin-7-yl)ethylamino]ethyl]-6-oxo-1H-purin-2-yl]benzamide","","C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCNCCN4C=NC5=C4C(=O)NC(=N5)NC(=O)C6=CC=CC=C6","YNUXYTTVCZRFEC-UHFFFAOYSA-N","135500698",NA,"PDBC42075","639792","Present"
-"N-(7-(2-(Benzylamino)ethyl)-6-hydroxy-7H-purin-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(7-(2-(Benzylamino)ethyl)-6-hydroxy-7H-purin-2-yl)benzamide","","C1=CC=C(C=C1)CNCCN2C=NC3=C2C(=O)NC(=N3)NC(=O)C4=CC=CC=C4","IIQTZMKGSDJRQJ-UHFFFAOYSA-N","135503474",NA,"PDBC42076","637518","Present"
-"N-(7-(2-Hydroxyethyl)-6-mercapto-7H-purin-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(7-(2-Hydroxyethyl)-6-mercapto-7H-purin-2-yl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=NC(=S)C3=C(N2)N=CN3CCO","SAPDTSFXSIZLEC-UHFFFAOYSA-N","3004227",NA,"PDBC42077","637517","Present"
-"N-(7-Benzyl-6,8-dibromo-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(7-benzyl-6,8-dibromo-5,7-dihydro-4H-[1,3]thiazolo[4,5...","","C1CC2=C(C3=C(N(C(=C31)Br)CC4=CC=CC=C4)Br)N=C(S2)NC(=O)C5=CC=CC=C5","RHBIESXAZAZEFB-UHFFFAOYSA-N","155806801",NA,"PDBC42078","766953","Present"
-"N-(7-Chloro-2-oxochromen-6-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(7-Chloro-2-oxochromen-6-yl)acetamide","","CC(=O)NC1=C(C=C2C(=C1)C=CC(=O)O2)Cl","YFYXXFLVJSKLQH-UHFFFAOYSA-N","255626",NA,"PDBC42079","81308","Present"
-"N-(7-Chloro-3-methoxyphenazin-1-yl)-N',N'-diethylpropane-1,3-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(7-Chloro-3-methoxyphenazin-1-yl)-N',N'-diethylpropane-1,3-diamine;hydrochloride","","CCN(CC)CCCNC1=CC(=CC2=NC3=C(C=CC(=C3)Cl)N=C12)OC.Cl","BFLZFIKKOWKPCI-UHFFFAOYSA-N","24184086",NA,"PDBC42080","32930","Present"
-"N-(7-Chloro-3-methylquinolin-4-yl)-2-(4-chlorophenyl)-N',N'-diethylbutane-1,4-diamine","","","","","","","","","","","","","","","","","","","","N-(7-Chloro-3-methylquinolin-4-yl)-2-(4-chlorophenyl)-N',N'-diethylbutane-1,4-diamine","","CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1C)Cl)C3=CC=C(C=C3)Cl","BEHRYSUQMOVSKT-UHFFFAOYSA-N","224873",NA,"PDBC42081","13724","Present"
-"N-(7-Chloroquinolin-4-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine","","","","","","","","","","","","","","","","","","","","N-(7-Chloroquinolin-4-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine","","CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=CC=C3","MTCDAAIAIIMJHW-UHFFFAOYSA-N","222939",NA,"PDBC42082","10037","Present"
-"N-(7-Chloroquinolin-4-yl)-N'-(2-pyrrolidin-1-ylquinazolin-4-yl)ethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N1-(7-chloroquinolin-4-yl)-N2-(2-(pyrrolidin-1-yl)quinaz...","","C1CCN(C1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","JWSXGMYFPQISND-UHFFFAOYSA-N","71735316",NA,"PDBC42083","790651","Present"
-"N-(7-Chloroquinolin-4-yl)-N'-(4,6-diphenylpyrimidin-2-yl)ethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N1-(7-chloroquinolin-4-yl)-N2-(4,6-diphenylpyrimidin-2-y...","","C1=CC=C(C=C1)C2=CC(=NC(=N2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=CC=C5","MKVJZESQEASLIK-UHFFFAOYSA-N","155811925",NA,"PDBC42084","794149","Present"
-"N-(7-Chloroquinolin-4-yl)-N'-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N1-(7-chloroquinolin-4-yl)-N2-(2-(4-methylpiperazin-1-yl...","","CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","QPWBWUHVGPLLMY-UHFFFAOYSA-N","117827472",NA,"PDBC42085","790652","Present"
-"N-(7-Hydroxy-6-methyl[1,8]naphthyridin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(7-Hydroxy-6-methyl[1,8]naphthyridin-2-yl)acetamide","","CC1=CC2=C(NC1=O)N=C(C=C2)NC(=O)C","ZIWLKNUBRMVQGN-UHFFFAOYSA-N","5466190",NA,"PDBC42086","680475","Present"
-"N-(7-Hydroxy[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-(7-Hydroxy[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)N=CNC3=O","CBEIXCAXMNUYQC-UHFFFAOYSA-N","381117",NA,"PDBC42087","667379","Present"
-"N-(7-Methoxy-3-methyl-3-methylsulfanyl-4-nitro-2-oxo-1H-indol-5-yl)-N-prop-2-enylmethanesulfonamide","","","","","","","","","","","","","","","","","","","","N-(7-Methoxy-3-methyl-3-methylsulfanyl-4-nitro-2-oxo-1H-indol-5-yl)-N-prop-2-enylmethanesulfonamide","","CC1(C2=C(C(=CC(=C2NC1=O)OC)N(CC=C)S(=O)(=O)C)[N+](=O)[O-])SC","MKPOUINJSVZUHL-UHFFFAOYSA-N","393306",NA,"PDBC42088","694971","Present"
-"N-(7-Methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(7-Methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide","","CC(=O)NC1=C(C(=O)C2=C(C1=O)N=C3N2CCC3)OC","ZDIJAIYHGMGCFC-UHFFFAOYSA-N","374654",NA,"PDBC42089","652730","Present"
-"N-(7-Methoxy-5-quinoxalinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(7-Methoxy-5-quinoxalinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC3=NC=CN=C23)OC","VSLTWIBKZONEPS-UHFFFAOYSA-N","343866",NA,"PDBC42090","400399","Present"
-"N-(7-Propionyl-7H-purin-6-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-(7-Propionyl-7H-purin-6-yl)propanamide","","CCC(=O)NC1=NC=NC2=C1N(C=N2)C(=O)CC","NQDRLFVRKRJOEV-UHFFFAOYSA-N","240782",NA,"PDBC42091","47455","Present"
-"N-(8-(Hydroxy(oxido)amino)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide","","","","","","","","","","","","","","","","","","","","N-(8-(Hydroxy(oxido)amino)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide","","C1=CC=C(C=C1)C=CC(=O)NC2C=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O","GFRDFQRMERFAFB-RMKNXTFCSA-N","5388449",NA,"PDBC42092","636378","Present"
-"N-(8-Acetamido-6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(8-Acetamido-6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)acetamide","","CC1=CC(=C(C2=C1NC3=C2C=C(C=C3NC(=O)C)OC)C)NC(=O)C","OFMXWGJZUZJJPJ-UHFFFAOYSA-N","374129",NA,"PDBC42093","651556","Present"
-"N-(8-Chloro-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-2-(2-chlorophenyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(8-Chloro-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-2-(2-chlorophenyl)-2-phenylacetamide","","C1=CC=C(C=C1)C(C2=CC=CC=C2Cl)C(=O)NC3C=NC4=C(C=C(C=C4)Cl)NC3=O","MQLJQWXJBSGWQS-UHFFFAOYSA-N","367240",NA,"PDBC42094","636783","Present"
-"N-(8-Chloro-6-oxo-5H-phenanthridin-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(8-Chloro-6-oxo-5H-phenanthridin-3-yl)acetamide","","CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)Cl)C(=O)N2","TVYRCWHYMBTFNX-UHFFFAOYSA-N","274963",NA,"PDBC42095","121322","Present"
-"N-(9-Acetyl-6-benzylsulfanylpurin-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(9-Acetyl-6-benzylsulfanylpurin-2-yl)acetamide","","CC(=O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C(=O)C","NSMQOVIQCRKCFK-UHFFFAOYSA-N","243470",NA,"PDBC42096","53340","Present"
-"N-(9-Acridinyl)-3,4,5-trimethoxybenzamide","","","","","","","","","","","","","","","","","","","","NIOSH/CU8703300","","COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C3C=CC=CC3=NC4=CC=CC=C42","FXGZNGNURBHEEG-UHFFFAOYSA-N","383382",NA,"PDBC42097","671552","Present"
-"N-(9-Acridinyl)-N,N'-dimethylimidoformamide","","","","","","","","","","","","","","","","","","","","N-(9-Acridinyl)-N,N'-dimethylimidoformamide","","CN=CN(C)C1=C2C=CC=CC2=NC3=CC=CC=C31","KOPJRLPEECYILE-UHFFFAOYSA-N","379823",NA,"PDBC42098","664953","Present"
-"N-(9-Acridinyl)cysteine","","","","","","","","","","","","","","","","","","","","2-(acridin-9-ylamino)-3-sulfanylpropanoic acid","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CS)C(=O)O","DQGKFIHXOFMATO-UHFFFAOYSA-N","363149",NA,"PDBC42099","627733","Present"
-"N-(9-Acridinylmethyl)cysteine","","","","","","","","","","","","","","","","","","","","N-(9-Acridinylmethyl)cysteine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC(CS)C(=O)O","MLJHHZSNUIJOAR-UHFFFAOYSA-N","363153",NA,"PDBC42100","627739","Present"
-"N-(9-Acridinylmethyl)valine","","","","","","","","","","","","","","","","","","","","N-(9-Acridinylmethyl)valine","","CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=NC3=CC=CC=C31","AZNTXKHUUUAGRH-UHFFFAOYSA-N","363152",NA,"PDBC42101","627738","Present"
-"N-(9-Acridinylmethylene)-4-ethoxyaniline","","","","","","","","","","","","","","","","","","","","N-(9-Acridinylmethylene)-4-ethoxyaniline","","CCOC1=CC=C(C=C1)N=CC2=C3C=CC=CC3=NC4=CC=CC=C42","MGZADRFESIEWRI-UHFFFAOYSA-N","364426",NA,"PDBC42102","630686","Present"
-"N-(9-Anthracenylmethylene)-2-ethoxyaniline","","","","","","","","","","","","","","","","","","","","N-(9-Anthracenylmethylene)-2-ethoxyaniline","","CCOC1=CC=CC=C1N=CC2=C3C=CC=CC3=CC4=CC=CC=C42","ZSFUUFJQEOHQFO-UHFFFAOYSA-N","328738",NA,"PDBC42103","308811","Present"
-"N-(9-Anthrylmethyl)-N-methyl-4-[(5Z,10Z,14Z,19Z)-10,15,20-tris[4-[9-anthrylmethyl(methyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(Anthracen-9-ylmethyl)-N-methyl-4-[10,15,20-tris[4-[anthracen-9-ylmethyl(methyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide","","CN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)S(=O)(=O)C4=CC=C(C=C4)C5=C6C=CC(=C(C7=NC(=C(C8=CC=C(N8)C(=C9C=CC5=N9)C1=CC=C(C=C1)S(=O)(=O)N(C)CC1=C2C=CC=CC2=CC2=CC=CC=C21)C1=CC=C(C=C1)S(=O)(=O)N(C)CC1=C2C=CC=CC2=CC2=CC=CC=C21)C=C7)C1=CC=C(C=C1)S(=O)(=O)N(C)CC1=C2C=CC=CC2=CC2=CC=CC=C21)N6","DRQONGDUDDSJTD-UHFFFAOYSA-N","16129818",NA,"PDBC42104","681458","Present"
-"N-(9-Ethylcarbazol-3-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(9-Ethylcarbazol-3-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide","","CCN1C2=C(C=C(C=C2)NC(=O)C3=C(NC(=O)NC3=S)C)C4=CC=CC=C41","UXWLQXZBZXAXQF-UHFFFAOYSA-N","3726365",NA,"PDBC42105","671852","Present"
-"N-(9-Ethylpurin-6-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(9-Ethylpurin-6-yl)acetamide","","CCN1C=NC2=C(N=CN=C21)NC(=O)C","IFNRWVWGORSDDJ-UHFFFAOYSA-N","390720",NA,"PDBC42106","688362","Present"
-"N-(9-Oxo-2-fluorenyl)acetamide","","","","","","","","","","","","","","","","","","","","wln: l b656 hvj emv1","","CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O","PYGNVSDRIIPHQP-UHFFFAOYSA-N","18355",NA,"PDBC42107","12369","Present"
-"N-(9-Oxo-9H-thiochromeno[3,2-d][1,3]thiazol-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(9-Oxo-9H-thiochromeno[3,2-d][1,3]thiazol-2-yl)acetamide","","CC(=O)NC1=NC2=C(S1)SC3=CC=CC=C3C2=O","AIAHJCHUVPXPAD-UHFFFAOYSA-N","391250",NA,"PDBC42108","690147","Present"
-"N-(9H-Carbazol-3-yl)-2-chlorobenzamide","","","","","","","","","","","","","","","","","","","","N-(9H-Carbazol-3-yl)-2-chlorobenzamide","","C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=CC=C4Cl","SSHWWXLYKNRZGV-UHFFFAOYSA-N","332432",NA,"PDBC42109","329252","Present"
-"N-(9H-Carbazol-9-ylcarbonyl)serine","","","","","","","","","","","","","","","","","","","","N-(9H-Carbazol-9-ylcarbonyl)serine","","C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)NC(CO)C(=O)O","SLYKZTXVGHQPBU-UHFFFAOYSA-N","373099",NA,"PDBC42110","649030","Present"
-"N-(9H-Fluoren-2-yl)-1-pyridin-2-ylmethanimine","","","","","","","","","","","","","","","","","","","","N-(2-Pyridinylmethylene)-9H-fluoren-2-amine","","C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=CC=CC=N4","MWQRCJCBHFELLF-UHFFFAOYSA-N","225630",NA,"PDBC42111","15226","Present"
-"N-(Acetoacetyloxy)-N-methyl-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-(Acetoacetyloxy)-N-methyl-2-phenylacetamide","","CC(=O)CC(=O)ON(C)C(=O)CC1=CC=CC=C1","BSJUXEYFLLOZFO-UHFFFAOYSA-N","371722",NA,"PDBC42112","646171","Present"
-"N-(Acetoacetyloxy)-N-methylacetamide","","","","","","","","","","","","","","","","","","","","N-(Acetoacetyloxy)-N-methylacetamide","","CC(=O)CC(=O)ON(C)C(=O)C","PBKPHCRWJUKVKM-UHFFFAOYSA-N","371719",NA,"PDBC42113","646168","Present"
-"N-(Acetyl(trichloromethyl)sulfinimidoyl)-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[N-Acetyl-S-(trichloromethyl)sulfinimidoyl]-4-methyl-benzamide","","CC1=CC=C(C=C1)C(=O)NS(=NC(=O)C)C(Cl)(Cl)Cl","NGBCICVEPBKRJQ-UHFFFAOYSA-N","376814",NA,"PDBC42114","657931","Present"
-"N-(Allyloxy)-4-chlorobenzamide","","","","","","","","","","","","","","","","","","","","N-(Allyloxy)-4-chlorobenzamide","","C=CCONC(=O)C1=CC=C(C=C1)Cl","XTTNZKZAYWTOQF-UHFFFAOYSA-N","368367",NA,"PDBC42115","639227","Present"
-"N-(Anilino(chloro(difluoro)methyl)-lambda~4~-sulfanylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(Anilino(chloro(difluoro)methyl)-lambda~4~-sulfanylidene)benzenesulfonamide","","C1=CC=C(C=C1)NS(=NS(=O)(=O)C2=CC=CC=C2)C(F)(F)Cl","BQIDHSHTPANPEK-UHFFFAOYSA-N","6101993",NA,"PDBC42116","657929","Present"
-"N-(Anilino(dichloromethyl)-lambda~4~-sulfanylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(Anilino(dichloromethyl)-lambda~4~-sulfanylidene)benzenesulfonamide","","C1=CC=C(C=C1)NS(=NS(=O)(=O)C2=CC=CC=C2)C(Cl)Cl","UGOZXDJQLDZVAJ-UHFFFAOYSA-N","6069847",NA,"PDBC42117","657928","Present"
-"N-(Benzenesulfonyl)-2-methylpropanamide","","","","","","","","","","","","","","","","","","","","N-Isobutyrylbenzenesulfonamide","","CC(C)C(=O)NS(=O)(=O)C1=CC=CC=C1","YWYSZMYFYSMUOM-UHFFFAOYSA-N","357768",NA,"PDBC42118","617291","Present"
-"N-(Benzenesulfonyl)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","P-4225","","C1=CC=C(C=C1)CC(=O)NS(=O)(=O)C2=CC=CC=C2","QIDBVSWICYZCSP-UHFFFAOYSA-N","357766",NA,"PDBC42119","617289","Present"
-"N-(Benzenesulfonyl)-3-methylbutanamide","","","","","","","","","","","","","","","","","","","","N-(Benzenesulfonyl)-3-methylbutanamide","","CC(C)CC(=O)NS(=O)(=O)C1=CC=CC=C1","FAYBSXAGJKBJMN-UHFFFAOYSA-N","357769",NA,"PDBC42120","617292","Present"
-"N-(Benzenesulfonyl)-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","N-(Benzenesulfonyl)-3-phenylpropanamide","","C1=CC=C(C=C1)CCC(=O)NS(=O)(=O)C2=CC=CC=C2","OXDPYOBJCCTYAF-UHFFFAOYSA-N","357767",NA,"PDBC42121","617290","Present"
-"N-(Benzenesulfonyl)-4-phenyl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(Benzenesulfonyl)-4-phenyl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide","","C1CN(CCN1C2=CC=CC=C2)C(=O)N(C(=O)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4","BGCGRWUOUKEQKV-UHFFFAOYSA-N","401350",NA,"PDBC42122","714662","Present"
-"N-(Benzenesulfonyl)-N-(2-phenoxyacetyl)-4-phenylpiperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(Benzenesulfonyl)-N-(2-phenoxyacetyl)-4-phenylpiperazine-1-carboxamide","","C1CN(CCN1C2=CC=CC=C2)C(=O)N(C(=O)COC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","UGDYGBWAXDXZIP-UHFFFAOYSA-N","401342",NA,"PDBC42123","714654","Present"
-"N-(Benzenesulfonyl)-N-(3,4-dichlorobenzoyl)-4-phenylpiperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(Benzenesulfonyl)-N-(3,4-dichlorobenzoyl)-4-phenylpiperazine-1-carboxamide","","C1CN(CCN1C2=CC=CC=C2)C(=O)N(C(=O)C3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)C4=CC=CC=C4","GKSPPUFMADWUSN-UHFFFAOYSA-N","401347",NA,"PDBC42124","714659","Present"
-"N-(Benzenesulfonyl)-N-(4-methoxybenzoyl)-4-phenylpiperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(Benzenesulfonyl)-N-(4-methoxybenzoyl)-4-phenylpiperazine-1-carboxamide","","COC1=CC=C(C=C1)C(=O)N(C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","PURZCXLTSCCYBO-UHFFFAOYSA-N","401348",NA,"PDBC42125","714660","Present"
-"N-(Benzenesulfonyl)-N-(furan-2-carbonyl)-4-phenylpiperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(Benzenesulfonyl)-N-(furan-2-carbonyl)-4-phenylpiperazine-1-carboxamide","","C1CN(CCN1C2=CC=CC=C2)C(=O)N(C(=O)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4","YIUYIQVLJOFKOY-UHFFFAOYSA-N","401349",NA,"PDBC42126","714661","Present"
-"N-(Benzenesulfonyl)-N-[1-(4-chlorophenyl)cyclopentanecarbonyl]-4-phenylpiperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(Benzenesulfonyl)-N-[1-(4-chlorophenyl)cyclopentanecarbonyl]-4-phenylpiperazine-1-carboxamide","","C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)N(C(=O)N3CCN(CC3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","WWSMVECBAJPWFN-UHFFFAOYSA-N","401344",NA,"PDBC42127","714656","Present"
-"N-(Benzenesulfonyl)-N-[2-(4-chlorophenyl)-2-methylpropanoyl]-4-phenylpiperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(Benzenesulfonyl)-N-[2-(4-chlorophenyl)-2-methylpropanoyl]-4-phenylpiperazine-1-carboxamide","","CC(C)(C1=CC=C(C=C1)Cl)C(=O)N(C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","APRDUVBRBMRADN-UHFFFAOYSA-N","401343",NA,"PDBC42128","714655","Present"
-"N-(Benzenesulfonyl)undec-10-enamide","","","","","","","","","","","","","","","","","","","","N-(Benzenesulfonyl)undec-10-enamide","","C=CCCCCCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1","SPURRCOTHMJSKZ-UHFFFAOYSA-N","357765",NA,"PDBC42129","617288","Present"
-"N-(Benzimidazolo[2,1-a]isoquinolin-10-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(Benzimidazolo[2,1-a]isoquinolin-10-yl)acetamide","","CC(=O)NC1=CC2=C(C=C1)N3C=CC4=CC=CC=C4C3=N2","QWXPJFYLVPIYDS-UHFFFAOYSA-N","392526",NA,"PDBC42130","693042","Present"
-"N-(Benzo[b][1,6]naphthyridin-2(1H)-ylmethylene)-2-methyl-2-propanamine","","","","","","","","","","","","","","","","","","","","N-(Benzo[b][1,6]naphthyridin-2(1H)-ylmethylene)-2-methyl-2-propanamine","","CC(C)(C)N=CN1CC2=CC3=CC=CC=C3N=C2C=C1","GXZBPILOHKUPCE-UHFFFAOYSA-N","370799",NA,"PDBC42131","644321","Present"
-"N-(Benzo[d]thiazol-2-yl)-2-(4-((3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)acetamide","","","","","","","","","","","","","","","","","","","","N-(benzo[d]thiazol-2-yl)-2-(4-((3-oxobenzofuran-2(3H)-yl...","","C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NC4=NC5=CC=CC=C5S4)O2","LXNRSDAASSXVSM-MOSHPQCFSA-N","45028625",NA,"PDBC42132","743506","Present"
-"N-(Benzyl(4-methylphenyl)-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(Benzyl(4-methylphenyl)-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3","HZJNRIDKGGZROP-UHFFFAOYSA-N","6101991",NA,"PDBC42133","655044","Present"
-"N-(Benzylcarbamoylcarbamoyl)-2-iodoacetamide","","","","","","","","","","","","","","","","","","","","NSC781776","","C1=CC=C(C=C1)CNC(=O)NC(=O)NC(=O)CI","HEKCGYLJYUPHAH-UHFFFAOYSA-N","155813830",NA,"PDBC42134","781776","Present"
-"N-(Benzyloxy)-4-(hexyloxy)benzamide","","","","","","","","","","","","","","","","","","","","N-(Benzyloxy)-4-(hexyloxy)benzamide","","CCCCCCOC1=CC=C(C=C1)C(=O)NOCC2=CC=CC=C2","UHPVWQUTZDTIKG-UHFFFAOYSA-N","392405",NA,"PDBC42135","692769","Present"
-"N-(Bis(4-chlorophenyl)-lambda~4~-sulfanylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(Bis(4-chlorophenyl)-lambda~4~-sulfanylidene)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)N=S(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","NMIZMYYFBFFXGK-UHFFFAOYSA-N","375371",NA,"PDBC42136","655037","Present"
-"N-(Bis(4-methylphenyl)-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(Bis(4-methylphenyl)-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C","ALULNSRMFBKGSR-UHFFFAOYSA-N","375374",NA,"PDBC42137","655042","Present"
-"N-(Cyanomethyl)-2-diazo-3-oxo-butanamide","","","","","","","","","","","","","","","","","","","","1-[(Cyanomethyl)amino]-2-diazonio-3-oxobut-1-en-1-olate","","CC(=O)C(=[N+]=[N-])C(=O)NCC#N","DTGFTVZXEQQXNW-UHFFFAOYSA-N","379180",NA,"PDBC42138","663589","Present"
-"N-(Cyanomethyl)-N-methyl-2-(4-nitrophenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-(Cyanomethyl)-N-methyl-2-(4-nitrophenyl)acetamide","","CN(CC#N)C(=O)CC1=CC=C(C=C1)[N+](=O)[O-]","MMUJGBDMOKGPKT-UHFFFAOYSA-N","379171",NA,"PDBC42139","663583","Present"
-"N-(Di(1H-imidazol-1-yl)methylene)methanamine","","","","","","","","","","","","","","","","","","","","N-(Di(1H-imidazol-1-yl)methylene)methanamine","","CN=C(N1C=CN=C1)N2C=CN=C2","BQUMWQFEOFCARW-UHFFFAOYSA-N","391927",NA,"PDBC42140","691607","Present"
-"N-(Diaminomethylidene)-4-pyridin-4-ylpiperazine-1-carboximidamide","","","","","","","","","","","","","","","","","","","","NSC772466","","C1CN(CCN1C2=CC=NC=C2)C(=N)N=C(N)N","MDMYWZSQPXWSIP-UHFFFAOYSA-N","155814617",NA,"PDBC42141","772466","Present"
-"N-(Dichlorophosphino)-N-[3,5-bis(trifluoromethyl)phenyl]-5H-dibenzo[a,d]cycloheptene-5-amine","","","","","","","","","","","","","","","","","","","","N-[3,5-Bis(trifluoromethyl)phenyl]-N-dichlorophosphanyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine","","C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)N(C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)P(Cl)Cl","JYHKXFTUBINQOT-UHFFFAOYSA-N","402140",NA,"PDBC42142","716000","Present"
-"N-(Diphenyl-lambda~4~-sulfanylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(Diphenyl-lambda~4~-sulfanylidene)benzenesulfonamide","","C1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3","ZIXBXNGUYOHJKI-UHFFFAOYSA-N","375376",NA,"PDBC42143","655045","Present"
-"N-(Dipyridin-2-ylmethylideneamino)-1,3-benzoxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-(Dipyridin-2-ylmethylideneamino)-1,3-benzoxazol-2-amine","","C1=CC=C2C(=C1)N=C(O2)NN=C(C3=CC=CC=N3)C4=CC=CC=N4","KSUHGVVTBOMMPD-UHFFFAOYSA-N","404079",NA,"PDBC42144","720200","Present"
-"N-(Dipyridin-2-ylmethylideneamino)-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","2-[2-(Dipyridin-2-ylmethylidene)hydrazino]-1h-benzimidazole","","C1=CC=C2C(=C1)NC(=N2)NN=C(C3=CC=CC=N3)C4=CC=CC=N4","VBLGTIKLKDZKOZ-UHFFFAOYSA-N","404076",NA,"PDBC42145","720195","Present"
-"N-(Ethoxy(2-(hydroxy(oxido)amino)phenyl)-lambda~4~-sulfanylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(Ethoxy(2-(hydroxy(oxido)amino)phenyl)-lambda~4~-sulfanylidene)benzenesulfonamide","","CCOS(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2[N+](=O)[O-]","IDSJEWSVNHJGPN-UHFFFAOYSA-N","6101988",NA,"PDBC42146","648481","Present"
-"N-(Ethoxyacetyl)deacetylthiocolchicine","","","","","","","","","","","","","","","","","","","","17-ethoxy-10-thiocolchicine","","CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","FQTHLSCRBAIBIC-KRWDZBQOSA-N","84078",NA,"PDBC42147","372485","Present"
-"N-(Ethylphenylcarbamoyl)-L-Leu-Gly-OMe","","","","","","","","","","","","","","","","","","","","NSC688369","","CCN(C1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NCC(=O)OC","PSFAJABLRGZKFW-HNNXBMFYSA-N","390727",NA,"PDBC42148","688369","Present"
-"N-(Ethylphenylcarbamoyl)-L-Val-L-Ala-OMe","","","","","","","","","","","","","","","","","","","","NSC688367","","CCN(C1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)OC","MFBPWFJTYVWCOR-ZFWWWQNUSA-N","5469457",NA,"PDBC42149","688367","Present"
-"N-(Ethylphenylthiocarbamoyl)-L-Phe-L-Leu-OMe","","","","","","","","","","","","","","","","","","","","NSC688372","","CCN(C1=CC=CC=C1)C(=S)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)OC","LHMMGCIZYUBKOO-VXKWHMMOSA-N","5469459",NA,"PDBC42150","688372","Present"
-"N-(Fluoren-9-ylideneamino)-3,4,5-trimethoxybenzamide","","","","","","","","","","","","","","","","","","","","N-(Fluoren-9-ylideneamino)-3,4,5-trimethoxybenzamide","","COC1=CC(=CC(=C1OC)OC)C(=O)NN=C2C3=CC=CC=C3C4=CC=CC=C42","MXJCYBCMOGMSEC-UHFFFAOYSA-N","332453",NA,"PDBC42151","329273","Present"
-"N-(Formyldeacetyl)thiocolchicine","","","","","","","","","","","","","","","","","","","","n-formyldeacetylthiocolchicine","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC","QWMGUEXZTDFFTR-UHFFFAOYSA-N","341279",NA,"PDBC42152","373031","Present"
-"N-(Furan-2-carbonyl)-N-phenylpiperidine-1-carboxamide","","","","","","","","","","","","","","","","","","","","F2843-0138","","C1CCN(CC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=CC=CO3","FUOJVSYVIQYHJP-UHFFFAOYSA-N","391217",NA,"PDBC42153","690114","Present"
-"N-(Furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","4-[[(2-FURANYL)METHYL]AMINO]-1H-PYRAZOLO[3,4-D]PYRIMIDINE","","C1=COC(=C1)CNC2=NC=NC3=C2C=NN3","KWGOKOFSPBXMSX-UHFFFAOYSA-N","219840",NA,"PDBC42154","1620","Present"
-"N-(Imidazol-1-ylmethyl)-N-methyl-1-phenylmethanamine","","","","","","","","","","","","","","","","","","","","Benzyl-imidazol-1-ylmethyl-methyl-amine","","CN(CC1=CC=CC=C1)CN2C=CN=C2","FQKLSTBZMJQKIB-UHFFFAOYSA-N","272244",NA,"PDBC42155","116532","Present"
-"N-(Imino(1-piperidinyl)methyl)-1-piperidinecarbothioamide","","","","","","","","","","","","","","","","","","","","N-(piperidine-1-carboximidoyl)piperidine-1-carbothioamide","","C1CCN(CC1)C(=NC(=S)N2CCCCC2)N","DZWLSYYQJOCSEI-UHFFFAOYSA-N","9569882",NA,"PDBC42156","622676","Present"
-"N-(Indol-1-ylmethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(Indol-1-ylmethyl)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NCN2C=CC3=CC=CC=C32","AACLVKFPOICBRZ-UHFFFAOYSA-N","357876",NA,"PDBC42157","617410","Present"
-"N-(Isopropylideneamino)-6-nitro-cinnolin-4-amine","","","","","","","","","","","","","","","","","","","","6-Nitro-4-[2-(propan-2-ylidene)hydrazinyl]cinnoline","","CC(=NNC1=CN=NC2=C1C=C(C=C2)[N+](=O)[O-])C","KXGLYSCVSAHRQN-UHFFFAOYSA-N","387075",NA,"PDBC42158","680465","Present"
-"N-(Naphthalen-1-ylmethyl)-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine","","","","","","","","","","","","","","","","","","","","N-(Naphthalen-1-ylmethyl)-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine","","C1=CC=C(C=C1)N2C(=NCC3=CC=CC4=CC=CC=C43)NC5=C(S2(=O)=O)C=NC=C5","RWHMXTBQLHCYTM-UHFFFAOYSA-N","135426615",NA,"PDBC42159","704082","Present"
-"N-(Naphthalen-2-ylmethyl)-2-[2-[2-(naphthalen-2-ylmethylamino)ethoxy]ethoxy]ethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-(Naphthalen-2-ylmethyl)-2-[2-[2-(naphthalen-2-ylmethylamino)ethoxy]ethoxy]ethanamine;hydrochloride","","C1=CC=C2C=C(C=CC2=C1)CNCCOCCOCCNCC3=CC4=CC=CC=C4C=C3.Cl","HDANEPCJEQEDMO-UHFFFAOYSA-N","393606",NA,"PDBC42160","695800","Present"
-"N-(Oxido(diphenyl)-lambda~4~-selanylidene)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[?]benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)N=[Se](=O)(C2=CC=CC=C2)C3=CC=CC=C3","DJCICCDRKPPNOV-UHFFFAOYSA-N","392974",NA,"PDBC42161","694216","Present"
-"N-(Phenoxathiin-2-ylcarbamothioyl)benzamide","","","","","","","","","","","","","","","","","","","","N-(Phenoxathiin-2-ylcarbamothioyl)benzamide","","C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC4=CC=CC=C4S3","BCLZHHYOUKFIMG-UHFFFAOYSA-N","5472352",NA,"PDBC42162","718028","Present"
-"N-(Phenoxyacetyl)deacetylcolchicine","","","","","","","","","","","","","","","","","","","","Acetamide, 2-phenoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetr...","","COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)COC4=CC=CC=C4","GQILPBLGDOWLSP-UHFFFAOYSA-N","100175",NA,"PDBC42163","355450","Present"
-"N-(Phenylmethyl)-1H-benzotriazol-1-amine","","","","","","","","","","","","","","","","","","","","1H-Benzotriazole, 1-(phenylmethylamino)-","","C1=CC=C(C=C1)CNN2C3=CC=CC=C3N=N2","WTBFBDRLXNOOGE-UHFFFAOYSA-N","4309",NA,"PDBC42164","622729","Present"
-"N-(Phenylsulfonyl)-3beta-(phenylsulfonylcarbamoyloxy)lupa-20(29)-ene-28-oic amide","","","","","","","","","","","","","","","","","","","","[(1R,3As,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(benzenesulfonylcarbamoyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)NS(=O)(=O)C6=CC=CC=C6)C)C(=O)NS(=O)(=O)C7=CC=CC=C7","MUWOUAHJNXFFGU-CCSKKOMLSA-N","44479967",NA,"PDBC42165","750234","Present"
-"N-(Phenylsulfonyl)octanamide","","","","","","","","","","","","","","","","","","","","N-(Phenylsulfonyl)octanamide","","CCCCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1","YDNPYLGUUUUPSP-UHFFFAOYSA-N","357764",NA,"PDBC42166","617287","Present"
-"N-(Pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl(thiophene-2-carbonyl)carbamothioyl]thiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-(Pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl(thiophene-2-carbonyl)carbamothioyl]thiophene-2-carboxamide","","C1=CC(=CN=C1)CN(C(=O)C2=CC=CS2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=CS4","YGJAPNBDISSOHW-UHFFFAOYSA-N","401378",NA,"PDBC42167","714690","Present"
-"N-(Tert-Butoxycarbonyl)-3-(5-hydroxy-2-pyridinyl)alanine","","","","","","","","","","","","","","","","","","","","N-(Tert-Butoxycarbonyl)-3-(5-hydroxy-2-pyridinyl)alanine","","CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)O)C(=O)O","JIENRYNUZMLGNO-UHFFFAOYSA-N","385337",NA,"PDBC42168","676455","Present"
-"N-(Tert-Butyl)-4-(1-hydroxy-2,2-dimethylpropyl)-N-methyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(Tert-Butyl)-4-(1-hydroxy-2,2-dimethylpropyl)-N-methyl-1-cubanecarboxamide","","CC(C)(C)C(C12C3C4C1C5C2C3C45C(=O)N(C)C(C)(C)C)O","DAACFRDEXNIXCF-UHFFFAOYSA-N","369197",NA,"PDBC42169","640903","Present"
-"N-(Tert-Butyl)-4-(2,2-dimethylpropanoyl)-N-methyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(Tert-Butyl)-4-(2,2-dimethylpropanoyl)-N-methyl-1-cubanecarboxamide","","CC(C)(C)C(=O)C12C3C4C1C5C2C3C45C(=O)N(C)C(C)(C)C","SWRIWNPXRKMKFO-UHFFFAOYSA-N","369199",NA,"PDBC42170","640905","Present"
-"N-(Tert-Butyl)-4-cyano-2,6,8-tris(2,2-dimethylpropanoyl)-N-methyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(Tert-Butyl)-4-cyano-2,6,8-tris(2,2-dimethylpropanoyl)-N-methyl-1-cubanecarboxamide","","CC(C)(C)C(=O)C12C3C4(C1C5(C4C3(C25C(=O)N(C)C(C)(C)C)C(=O)C(C)(C)C)C(=O)C(C)(C)C)C#N","HQDKXNCUPHCQJA-UHFFFAOYSA-N","369194",NA,"PDBC42171","640900","Present"
-"N-(Tert-Butyl)-4-cyano-N-methyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(Tert-Butyl)-4-cyano-N-methyl-1-cubanecarboxamide","","CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C#N","XVBQEBITCDGQDN-UHFFFAOYSA-N","369195",NA,"PDBC42172","640901","Present"
-"N-(Tert-Butyl)-4-iodo-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(Tert-Butyl)-4-iodo-1-cubanecarboxamide","","CC(C)(C)NC(=O)C12C3C4C1C5C2C3C45I","HXOAWHZOFBLXAV-UHFFFAOYSA-N","373486",NA,"PDBC42173","649893","Present"
-"N-(Tert-Butyl)-4-iodo-N-methyl-1-cubanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(Tert-Butyl)-4-iodo-N-methyl-1-cubanecarboxamide","","CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45I","YJYUIOSXPDSMKG-UHFFFAOYSA-N","373485",NA,"PDBC42174","649892","Present"
-"N-(Trifluoromethyl)-N'-(4-(trifluoromethyl)phenyl)urea","","","","","","","","","","","","","","","","","","","","N-(Trifluoromethyl)-N'-(4-(trifluoromethyl)phenyl)urea","","C1=CC(=CC=C1C(F)(F)F)NC(=O)NC(F)(F)F","LHZPOSXEKNIMOL-UHFFFAOYSA-N","383651",NA,"PDBC42175","672069","Present"
-"N-(Vinyloxycarbonyl)deacetylthiocolchicine","","","","","","","","","","","","","","","","","","","","n-(vinyloxycarbonyl)deacetylthiocolchicine","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)OC=C)OC)OC","QNPQOSKMAOKAKA-INIZCTEOSA-N","341280",NA,"PDBC42176","373032","Present"
-"N-([1]Benzofuro[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N-([1]Benzofuro[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine","","CN(C)CCNC1=C2C3=CC=CC=C3OC2=NC4=CC=CC=C41","KIBLWBZMGMREBL-UHFFFAOYSA-N","24205997",NA,"PDBC42177","737618","Present"
-"N-(dimethyldispiro[[?]]yl)acetamide","","","","","","","","","","","","","","","","","","","","N-(dimethyldispiro[[?]]yl)acetamide","","CC(=O)NC1C2=CC=CC=C2C(C13CCC4(CC3)OCCO4)(C)C","GBBOSGWWVPSQFW-UHFFFAOYSA-N","380760",NA,"PDBC42178","666468","Present"
-"N-(hydroxy[?]yl)butanamide","","","","","","","","","","","","","","","","","","","","N-(hydroxy[?]yl)butanamide","","CCCC(=O)NC1=C2C3CCCCCC3C2=C(C=C1)O","LWCHKQVAKNOFOB-UHFFFAOYSA-N","375504",NA,"PDBC42179","655286","Present"
-"N-(n-Propyl)-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spiro cyclohexane","","","","","","","","","","","","","","","","","","","","N-(n-propyl)-7.alpha.,12.alpha.-Diacetoxy-5.beta.-cholan...","","CCCNC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","VYOJHIHCFZNRRM-GTPWXSJUSA-N","404153",NA,"PDBC42180","720293","Present"
-"N-(p-Fluorobenzoyl)-Paclitaxel","","","","","","","","","","","","","","","","","","","","n-(p-fluorobenzoyl)-paclitaxel","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)F)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)C(=O)OC","SCSPTBVSCIZTKC-LKRQEUHESA-N","45028539",NA,"PDBC42181","743102","Present"
-"N-1,3-Benzoxazol-2-ylguanidine","","","","","","","","","","","","","","","","","","","","Benzoxazolylguanidine","","C1=CC=C2C(=C1)N=C(O2)N=C(N)N","FNGZREDJXWXRBW-UHFFFAOYSA-N","222552",NA,"PDBC42182","8967","Present"
-"N-1-Adamantyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-1-Adamantyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Cl","SCSXLINWYJSKFC-UHFFFAOYSA-N","364463",NA,"PDBC42183","630724","Present"
-"N-1-Adamantyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-1-Adamantyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide","","C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)[N+](=O)[O-]","YPIARDJHELDZPP-UHFFFAOYSA-N","374150",NA,"PDBC42184","651607","Present"
-"N-1-Anthraquinonyl-2,3-dichloropropionamide","","","","","","","","","","","","","","","","","","","","Propanamide, 2,3-dichloro-N-(9,10-dihydro-9,10-dioxo-1-a...","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C(CCl)Cl","NMNHTHKXGSVAQT-UHFFFAOYSA-N","73490",NA,"PDBC42185","127763","Present"
-"N-1-Naphthylbenzamide","","","","","","","","","","","","","","","","","","","","N-(1-NAPHTHYL)-BENZAMIDE","","C1=CC=C(C=C1)C(=O)NC2=CC=CC3=CC=CC=C32","ALANUUFGKYEMNI-UHFFFAOYSA-N","69448",NA,"PDBC42186","8090","Present"
-"N-1H-Indazol-3-yl-3-methyl-1H-pyrazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-1H-indazol-3-yl-3-methyl-1H-pyrazole-5-carboxamide","","CC1=CC(=NN1)C(=O)NC2=NNC3=CC=CC=C32","QLUYXENXMSIVTM-UHFFFAOYSA-N","45028418",NA,"PDBC42187","742791","Present"
-"N-1H-Indazol-3-yl-3-methyl-4-nitro-1H-pyrazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-1H-indazol-3-yl-3-methyl-4-nitro-1H-pyrazole-5-carboxa...","","CC1=C(C(=NN1)C(=O)NC2=NNC3=CC=CC=C32)[N+](=O)[O-]","BJCZEMFQBDJFTB-UHFFFAOYSA-N","45028419",NA,"PDBC42188","742792","Present"
-"N-2-Adamantyl-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-2-Adamantyl-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3C4CC5CC(C4)CC3C5","RKTWPZXAJCZBAM-UHFFFAOYSA-N","364329",NA,"PDBC42189","630344","Present"
-"N-3-Fluorenyl maleamidic acid","","","","","","","","","","","","","","","","","","","","(Z)-4-(9H-Fluoren-3-ylamino)-4-oxobut-2-enoic acid","","C1C2=C(C=C(C=C2)NC(=O)C=CC(=O)O)C3=CC=CC=C31","DPUGLVUNPUIJBN-FPLPWBNLSA-N","5351815",NA,"PDBC42190","49692","Present"
-"N-Acetoxy-N-(2-naphthylmethyloxy)acetamide","","","","","","","","","","","","","","","","","","","","N-Acetoxy-N-(2-naphthylmethyloxy)acetamide","","CC(=O)N(OCC1=CC2=CC=CC=C2C=C1)OC(=O)C","MJGYXRVHLGFJAA-UHFFFAOYSA-N","45028399",NA,"PDBC42191","742465","Present"
-"N-Acetyl-1-(3-iodo-1-oxo-2-trans-propenyl)indoline-3-ethanamine","","","","","","","","","","","","","","","","","","","","N-Acetyl-1-(3-iodo-1-oxo-2-trans-propenyl)indoline-3-eth...","","CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)C=CI","MHGHKECOHLJWOC-SOFGYWHQSA-N","5468579",NA,"PDBC42192","671902","Present"
-"N-Acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-delta-butylamino-9'(1'-nitroacridine)","","","","","","","","","","","","","","","","","","","","N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-.delta...","","CC(C)C(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","ILJXPSQYBXCFCY-UHFFFAOYSA-N","489622",NA,"PDBC42193","697468","Present"
-"N-Acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-gamma-propylamino-N[4'-nitroacridone-9'(10H)]","","","","","","","","","","","","","","","","","","","","N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-.gamma...","","CC(C)C(C(=O)NC(CCC(=O)NCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","MNQGVAPXVNYBKQ-UHFFFAOYSA-N","3394029",NA,"PDBC42194","697470","Present"
-"N-Acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-[N-(2-aminoethyl)-2-aminoethyl]-4-nitro-9-aminoacridine","","","","","","","","","","","","","","","","","","","","N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-[N-(2-am...","","CC(C)C(C(=O)NC(CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","CYPPHZSQAAJLTI-LOHJYSQPSA-N","6712568",NA,"PDBC42195","697472","Present"
-"N-Acetyl-1-benzyl-nor-muramyl-L-alanyl-D-isoglutamyl-N-delta-butylamino-N[4'-nitroacridone-9'(10H)]","","","","","","","","","","","","","","","","","","","","N-acetyl-1-benzyl-nor-muramyl-L-alanyl-D-isoglutamyl-N- ...","","CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","YWIKBQNWKPHAKZ-UHFFFAOYSA-N","6712566",NA,"PDBC42196","697469","Present"
-"N-Acetyl-1-benzyl-nor-muramyl-L-prolyl-D-isoglutamyl-N-delta-butylamino-9'(1'-nitroacridine)","","","","","","","","","","","","","","","","","","","","N-acetyl-1-benzyl-nor-muramyl-L-prolyl-D-isoglutamyl-N-....","","CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-])C(=O)N","JXTKDWULFLGSMT-PYFRKUPESA-N","6712565",NA,"PDBC42197","697467","Present"
-"N-Acetyl-1-benzyl-nor-muramyl-L-prolyl-D-isoglutamyl-[N'-(2-aminoethyl)-2-aminoethyl]-4-nitro-9-aminoacridine","","","","","","","","","","","","","","","","","","","","N-acetyl-1-benzyl-nor-muramyl-L-prolyl-D-isoglutamyl-[N'...","","CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCNCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-])C(=O)N","CECXCHSMIMKYPQ-PYFRKUPESA-N","6712567",NA,"PDBC42198","697471","Present"
-"N-Acetyl-2,3-dihydro-1H-indole-3-ethanamine","","","","","","","","","","","","","","","","","","","","N-Acetyl-2,3-dihydro-1H-indole-3-ethanamine","","CC(=O)NCCC1CNC2=CC=CC=C12","LGWUGAXPKZWKCB-UHFFFAOYSA-N","393459",NA,"PDBC42199","695367","Present"
-"N-Acetyl-3-(2-(2-chlorobenzyl)hydrazino)-N-(4-chlorophenyl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-3-(2-(2-chlorobenzyl)hydrazino)-N-(4-chlorophenyl)-3-oxopropanamide","","CC(=O)N(C1=CC=C(C=C1)Cl)C(=O)CC(=O)NNCC2=CC=CC=C2Cl","DNJJVWCLXXGBAB-UHFFFAOYSA-N","378950",NA,"PDBC42200","662458","Present"
-"N-Acetyl-4-((3-(hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-4-((3-(hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)benzenesulfonamide","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC=C4OC)[N+](=O)[O-]","KLGGLDLGANYVDE-UHFFFAOYSA-N","391140",NA,"PDBC42201","689866","Present"
-"N-Acetyl-4-((6-(hydroxy(oxido)amino)-2-methoxy-9-acridinyl)amino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-4-((6-(hydroxy(oxido)amino)-2-methoxy-9-acridinyl)amino)benzenesulfonamide","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)[N+](=O)[O-])OC","FCDOZTMGFLZKEZ-UHFFFAOYSA-N","391145",NA,"PDBC42202","689871","Present"
-"N-Acetyl-4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]benzene-sulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[3-(4-Chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)O)O","LRCVMRQXAZXSMK-UHFFFAOYSA-N","135585511",NA,"PDBC42203","731814","Present"
-"N-Acetyl-4-[5-(1,4-benzoquinonyl)-3-phenylpyrazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-3-phenylpyrazol-1-yl]phenyl]sulfonylacetamide","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC(=O)C=CC4=O","DFQGRYRFFATZTI-UHFFFAOYSA-N","24204432",NA,"PDBC42204","731816","Present"
-"N-Acetyl-4-[5-(2,5-dihydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[5-(2,5-Dihydroxyphenyl)-3-phenylpyrazol-1-yl]phenyl]sulfonylacetamide","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)O)O","BIANFRTXZCABQY-UHFFFAOYSA-N","135585508",NA,"PDBC42205","731811","Present"
-"N-Acetyl-4-[5-(2,5-dimethoxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[5-(2,5-Dimethoxyphenyl)-3-phenylpyrazol-1-yl]phenyl]sulfonylacetamide","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC","CCVGHMCVJVQJQZ-UHFFFAOYSA-N","24204422",NA,"PDBC42206","731806","Present"
-"N-Acetyl-6-O/N[4'-nitroacridone-9'(10H)-yl]-1'-B-alanyl-carboxamidoundecanoyl/-MPD(L-Val)","","","","","","","","","","","","","","","","","","","","N-Acetyl-6-O/N[4'-nitroacridone-9'(10H)-yl]-1'-B-alanyl-...","","CC(C)C(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(C)OC1C(C(OC(C1O)COC(=O)CCCCCCCCCCNC(=O)CCNC2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=O)C=C(C=C4)O)OCC5=CC=CC=C5)NC(=O)C","RTPDRDSXCGTLEE-UESPFTEQSA-N","6711923",NA,"PDBC42207","646615","Present"
-"N-Acetyl-DL-cysteine","","","","","","","","","","","","","","","","","","","","Acetylcysteine","","CC(=O)NC(CS)C(=O)O","PWKSKIMOESPYIA-UHFFFAOYSA-N","581",NA,"PDBC42208","111180","Present"
-"N-Acetyl-DL-tryptophan","","","","","","","","","","","","","","","","","","","","Acetyltryptophan","","CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O","DZTHIGRZJZPRDV-UHFFFAOYSA-N","2002",NA,"PDBC42209","49124","Present"
-"N-Acetyl-N-(1-acetyl-3-(4-methylbenzyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-N-(1-acetyl-3-(4-methylbenzyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide","","CC1=CC=C(C=C1)CC2=NN(C(=O)N2N(C(=O)C)C(=O)C)C(=O)C","OOTIDNGGUVGHPE-UHFFFAOYSA-N","384495",NA,"PDBC42210","674328","Present"
-"N-Acetyl-N-(4-chlorophenyl)-3-(4-((2-(hydroxy(oxido)amino)phenyl)diazenyl)-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-N-(4-chlorophenyl)-3-[4-[(2-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanamide","","CC(=O)N(C1=CC=C(C=C1)Cl)C(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4[N+](=O)[O-]","NOCFURHLBZOEFG-UHFFFAOYSA-N","378948",NA,"PDBC42211","662456","Present"
-"N-Acetyl-N-(4-chlorophenyl)-3-(4-((3-(hydroxy(oxido)amino)phenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-N-(4-chlorophenyl)-3-[3-methyl-4-[(3-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide","","CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC(=O)N(C3=CC=C(C=C3)Cl)C(=O)C","BWYKHKMSRWKBEB-UHFFFAOYSA-N","378946",NA,"PDBC42212","662454","Present"
-"N-Acetyl-N-(5-(3,5-diphenyl-1H-pyrazol-1-yl)-4-phenyl-2-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-N-(5-(3,5-diphenyl-1H-pyrazol-1-yl)-4-phenyl-2-pyrimidinyl)acetamide","","CC(=O)N(C1=NC=C(C(=N1)C2=CC=CC=C2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C","UJHYBLHIFLMKDB-UHFFFAOYSA-N","378728",NA,"PDBC42213","661830","Present"
-"N-Acetyl-N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)acetamide","","CC(=O)N(C(=O)C)N1C(=NNC1=O)C2=CC=CC=C2","UKOIBKDSOVZTNU-UHFFFAOYSA-N","390139",NA,"PDBC42214","687207","Present"
-"N-Acetyl-N-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-N-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide","","CC(=O)N(C1=C(N(C(=O)NC1=O)C)N)C(=O)C","NWICHRKUDMJIDT-UHFFFAOYSA-N","371476",NA,"PDBC42215","645750","Present"
-"N-Acetyl-N-[1-acetyl-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-N-[1-acetyl-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]acetamide","","CC(=O)N1C(=O)N(C(=N1)CC2=CC=C(C=C2)Cl)N(C(=O)C)C(=O)C","TZDYUBYRCDBXOP-UHFFFAOYSA-N","381647",NA,"PDBC42216","668466","Present"
-"N-Acetyl-N-[16-(benzenesulfonyl)-3,5-dioxo-4-phenyl-2,4,6,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-8,10,12,14-tetraen-8-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-N-[16-(benzenesulfonyl)-3,5-dioxo-4-phenyl-2,4,6,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-8,10,12,14-tetraen-8-yl]acetamide","","CC(=O)N(C1=C2C(N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)N5C(=O)N(C(=O)N5C1)C6=CC=CC=C6)C(=O)C","BDZIWQMQWQPSKI-UHFFFAOYSA-N","374622",NA,"PDBC42217","652591","Present"
-"N-Acetyl-N-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-Acetyl-N-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]acetamide","","CC(=O)N(C(=O)C)N1C(=NNC1=O)CC2=CC=C(C=C2)Cl","IASNPSUGNQNKBN-UHFFFAOYSA-N","390054",NA,"PDBC42218","686968","Present"
-"N-Acetyl-N-formyl-5-methoxykynurenamine","","","","","","","","","","","","","","","","","","","","AFMK","","CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O","JYWNYMJKURVPFH-UHFFFAOYSA-N","171161",NA,"PDBC42219","688263","Present"
-"N-Acetyl-nor-muramyl-1-O-benyl-L-alanyl-D-(gama)-isoglutamyl-O-(beta)-ethyl-4-carboxyamidoacridine","","","","","","","","","","","","","","","","","","","","N-acetyl-nor-muramyl-1-O-benyl-L-alanyl-D-(gama)-isoglut...","","CC(C(=O)NC(CCC(=O)OCCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","WQJPABIPDBCBGW-UHFFFAOYSA-N","404710",NA,"PDBC42220","721179","Present"
-"N-Acetylcolchinol","","","","","","","","","","","","","","","","","","","","n-acetylcolchinol","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)O)OC)OC)OC","WJJZQSCOTJYYSP-INIZCTEOSA-N","242436",NA,"PDBC42221","51045","Present"
-"N-Acetylcolchinol, methyl ether","","","","","","","","","","","","","","","","","","","","n-acetylcolchinol, methyl ether","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)OC)OC)OC)OC","FEPNCXXZWLXIHV-KRWDZBQOSA-N","242437",NA,"PDBC42222","51046","Present"
-"N-Acetyliodocolchinol","","","","","","","","","","","","","","","","","","","","N-Acetyliodocolchinol","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC(=C(C=C13)O)I)OC)OC)OC","NTJNSPIBKNYJBX-HNNXBMFYSA-N","234103",NA,"PDBC42223","33408","Present"
-"N-Acetyltyrosine","","","","","","","","","","","","","","","","","","","","N-Acetyl-L-tyrosine","","CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O","CAHKINHBCWCHCF-UHFFFAOYSA-N","89216",NA,"PDBC42224","10853","Present"
-"N-Acridin-9-yl-2,3-dimethoxybenzamide","","","","","","","","","","","","","","","","","","","","N-Acridin-9-yl-2,3-dimethoxybenzamide","","COC1=CC=CC(=C1OC)C(=O)NC2=C3C=CC=CC3=NC4=CC=CC=C42","IWITURRCIJODSI-UHFFFAOYSA-N","383385",NA,"PDBC42225","671556","Present"
-"N-Acridin-9-yl-4-[2-(2-hydroxyethylamino)ethylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-Acridin-9-yl-4-[2-(2-hydroxyethylamino)ethylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CC1=C(C(=NC(=O)N1)NCCNCCO)C(=O)NC2=C3C=CC=CC3=NC4=CC=CC=C42","AJJVNWZXCBSIAH-UHFFFAOYSA-N","392193",NA,"PDBC42226","692320","Present"
-"N-Acridin-9-yl-4-[3-(diethylamino)propylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-Acridin-9-yl-4-[3-(diethylamino)propylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CCN(CC)CCCNC1=NC(=O)NC(=C1C(=O)NC2=C3C=CC=CC3=NC4=CC=CC=C42)C","UHSDKIQVKSSCAG-UHFFFAOYSA-N","392189",NA,"PDBC42227","692316","Present"
-"N-Acryloyl-N'-cyanoguanidine","","","","","","","","","","","","","","","","","","","","N-Acryloyl-N'-cyanoguanidine","","C=CC(=O)NC(=NC#N)N","CADVGKZQAHRVJF-UHFFFAOYSA-N","135429903",NA,"PDBC42228","372154","Present"
-"N-Adamantyl-4-(4-methyl-2-(phenylamino)thiazol-5-yl)-2,4-dioxobutanamide","","","","","","","","","","","","","","","","","","","","N-adamantyl-4-(4-methyl-2-(phenylamino)thiazol-5-yl)-2,4...","","CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)CC(=O)C(=O)NC34CC5CC(C3)CC(C5)C4","KRSGQRCLGUSYAX-UHFFFAOYSA-N","54604825",NA,"PDBC42229","637682","Present"
-"N-Allyl-2-[(E)-hydroxyimino]-3-(2-hydroxy-3,5-dibromo-4-methoxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-Allyl-2-[(E)-hydroxyimino]-3-(2-hydroxy-3,5-dibromo-4-methoxyphenyl)propanamide","","COC1=C(C=C(C(=C1Br)O)CC(=NO)C(=O)NCC=C)Br","ANPKNZZDEYWXSS-MFOYZWKCSA-N","9572344",NA,"PDBC42230","712304","Present"
-"N-Allyl-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","N-Allyl-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide","","CC1CC(=O)NC2=CC=CC=C2N1C(=S)NCC=C","ZVOYJKVGQCQKBD-UHFFFAOYSA-N","3004454",NA,"PDBC42231","656588","Present"
-"N-Allyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","N-Allyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide","","CC1CN(C2=CC=CC=C2NC1=O)C(=S)NCC=C","LVTMJCXGQRVXRR-UHFFFAOYSA-N","3004455",NA,"PDBC42232","656589","Present"
-"N-Allyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-Allyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide","","CC1CN(C2=CC=CC=C2NC1=O)C(=O)NCC=C","ZXIBKDQWFZDUMS-UHFFFAOYSA-N","377486",NA,"PDBC42233","658954","Present"
-"N-Allyl-4-methyl-N-(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Allyl-4-methyl-N-(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NCCN(CC=C)S(=O)(=O)C2=CC=C(C=C2)C","PAGGCYIMQFERAQ-UHFFFAOYSA-N","373716",NA,"PDBC42234","650617","Present"
-"N-Allyl-7-chloro-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","N-Allyl-7-chloro-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide","","CC1CN(C2=C(C=C(C=C2)Cl)NC1=O)C(=S)NCC=C","QBFISCXHYGJJAE-UHFFFAOYSA-N","3004456",NA,"PDBC42235","656590","Present"
-"N-Allyl-9H-purine-6-sulfonamide","","","","","","","","","","","","","","","","","","","","N-Prop-2-enyl-7H-purine-6-sulfonamide","","C=CCNS(=O)(=O)C1=NC=NC2=C1NC=N2","KKMFKEJIAQCIPO-UHFFFAOYSA-N","5351841",NA,"PDBC42236","61747","Present"
-"N-Allyl-N'-((2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl)thiourea","","","","","","","","","","","","","","","","","","","","N-Allyl-N'-((2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl)thiourea","","C=CCNC(=S)N=CC1=C(C2=CC=CC=C2OC1=O)O","OQQGLUYLRVFLID-LZYBPNLTSA-N","135409043",NA,"PDBC42237","655968","Present"
-"N-Allyl-N-(1-allyl-2-oxo-4-azetidinyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Allyl-N-(1-allyl-2-oxo-4-azetidinyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2CC(=O)N2CC=C","ZENIVTWRELYEBV-UHFFFAOYSA-N","396907",NA,"PDBC42238","704086","Present"
-"N-Allyl-N-(2-(allyl((4-methylphenyl)sulfonyl)amino)ethyl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Allyl-N-(2-(allyl((4-methylphenyl)sulfonyl)amino)ethyl)-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N(CCN(CC=C)S(=O)(=O)C2=CC=C(C=C2)C)CC=C","UDNSUTPXNIYEDB-UHFFFAOYSA-N","373717",NA,"PDBC42239","650618","Present"
-"N-Allyl-N-(4-(hydroxy(oxido)amino)-7-methoxy-3-methyl-1H-indol-5-yl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-Allyl-N-(4-(hydroxy(oxido)amino)-7-methoxy-3-methyl-1H-indol-5-yl)methanesulfonamide","","CC1=CNC2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OC","AMLCYZHBZIOVGO-UHFFFAOYSA-N","393316",NA,"PDBC42240","694981","Present"
-"N-Allyl-N-(4-pyridylmethyl)benzilamide","","","","","","","","","","","","","","","","","","","","LS-32437","","C=CCN(CC1=CC=NC=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O","IBOKMCYIBFHZKK-UHFFFAOYSA-N","380040",NA,"PDBC42241","665336","Present"
-"N-Amino-2-(6-iodo-2-(2-thienyl)quinazolin-4-yloxy)ethanamide","","","","","","","","","","","","","","","","","","","","N-amino-2-(6-iodo-2-(2-thienyl)quinazolin-4-yloxy)ethana...","","C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=N2)OCC(=O)NN","KNYUPZGXJIMZOQ-UHFFFAOYSA-N","404798",NA,"PDBC42242","721316","Present"
-"N-Amino-N-[(E)-(5-nitro-1H-imidazol-4-yl)diazenyl]methanamine","","","","","","","","","","","","","","","","","","","","N-Amino-N-[(E)-(5-nitro-1H-imidazol-4-yl)diazenyl]methanamine","","CN(N)N=NC1=C(NC=N1)[N+](=O)[O-]","BOUBJXIHHJMQCX-CMDGGOBGSA-N","135493927",NA,"PDBC42243","684036","Present"
-"N-Aminothioxomethyl-2,4-dichlorobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Aminothioxomethyl-2,4-dichlorobenzenesulfonamide","","C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC(=S)N","IJZCAQICEKZATF-UHFFFAOYSA-N","5470779",NA,"PDBC42244","704960","Present"
-"N-Aminothioxomethyl-2,4-difluorobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Aminothioxomethyl-2,4-difluorobenzenesulfonamide","","C1=CC(=C(C=C1F)F)S(=O)(=O)NC(=S)N","CPAKLDFKWFGJCB-UHFFFAOYSA-N","5470780",NA,"PDBC42245","704961","Present"
-"N-Aminothioxomethyl-4-chlorobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Aminothioxomethyl-4-chlorobenzenesulfonamide","","C1=CC(=CC=C1S(=O)(=O)NC(=S)N)Cl","ASQPMGTVLIPQMA-UHFFFAOYSA-N","5470777",NA,"PDBC42246","704958","Present"
-"N-Aminothioxomethyl-4-fluorobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Aminothioxomethyl-4-fluorobenzenesulfonamide","","C1=CC(=CC=C1F)S(=O)(=O)NC(=S)N","ZOAHLQNMCHEVIR-UHFFFAOYSA-N","5470778",NA,"PDBC42247","704959","Present"
-"N-Anthracen-1-yl-4-[3-(diethylamino)propylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-Anthracen-1-yl-4-[3-(diethylamino)propylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide","","CCN(CC)CCCNC1=NC(=O)NC(=C1C(=O)NC2=CC=CC3=CC4=CC=CC=C4C=C32)C","NRPYGTHRBIATLU-UHFFFAOYSA-N","392187",NA,"PDBC42248","692314","Present"
-"N-Anthracen-1-yl-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-Anthracen-1-yl-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide","","CC1=C(C(=S)NC(=O)N1)C(=O)NC2=CC=CC3=CC4=CC=CC=C4C=C32","BLWCGEVULLAZPO-UHFFFAOYSA-N","4304587",NA,"PDBC42249","671849","Present"
-"N-BOC-piperidine-4-carboxylic acid","","","","","","","","","","","","","","","","","","","","boc-inp-oh","","CC(C)(C)OC(=O)N1CCC(CC1)C(=O)O","JWOHBPPVVDQMKB-UHFFFAOYSA-N","392871",NA,"PDBC42250","693924","Present"
-"N-Benzhydryl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-Benzhydryl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine;hydrochloride","","CN1C2CCC1CC(C2)CCNC(C3=CC=CC=C3)C4=CC=CC=C4.Cl","PMFHTYZTLQBARP-UHFFFAOYSA-N","401889",NA,"PDBC42251","715580","Present"
-"N-Benzo[b]thiophen-7-ylmethyl-N'-(4-chloro-benzylidene)-N-methyl-hydrazine","","","","","","","","","","","","","","","","","","","","N-Benzo[b]thiophen-7-ylmethyl-N'-(4-chloro-benzylidene)-N-methyl-hydrazine","","CN(CC1=CC=CC2=C1SC=C2)N=CC3=CC=C(C=C3)Cl","BEPNDRKIBJSCCI-ODLFYWEKSA-N","9572293",NA,"PDBC42252","710407","Present"
-"N-Benzo[b]thiophen-7-ylmethyl-N'-(4-methoxy-benzylidene)-N-methyl-hydrazine","","","","","","","","","","","","","","","","","","","","N-Benzo[b]thiophen-7-ylmethyl-N'-(4-methoxy-benzylidene)-N-methyl-hydrazine","","CN(CC1=CC=CC2=C1SC=C2)N=CC3=CC=C(C=C3)OC","LMJOLNDLTSJYTE-UNOMPAQXSA-N","9572294",NA,"PDBC42253","710408","Present"
-"N-Benzoyl-3-phenyl-1H-pyrazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-Benzoyl-3-phenyl-1H-pyrazole-5-carboxamide","","C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC(=O)C3=CC=CC=C3","WCYXNUKQIBAFHP-UHFFFAOYSA-N","390367",NA,"PDBC42254","687706","Present"
-"N-Benzoyl-5-fluoro-(3-O-benzoyl-4,6-dideoxy-beta-L-glycero-hex-3-enopyranos-2-ulosyl) uracil","","","","","","","","","","","","","","","","","","","","N-Benzoyl-5-fluoro-(3-O-benzoyl-4,6-dideoxy-.beta.-L-gly...","","CC1C=C(C(=O)C(O1)N2C=C(C(=O)N(C2=O)C(=O)C3=CC=CC=C3)F)OC(=O)C4=CC=CC=C4","RMKMIRNINFNRJX-UHFFFAOYSA-N","365893",NA,"PDBC42255","633974","Present"
-"N-Benzoyl-N-(2-((cyano(phenyl)methylene)amino)phenyl)benzamide","","","","","","","","","","","","","","","","","","","","N-Benzoyl-N-(2-((cyano(phenyl)methylene)amino)phenyl)benzamide","","C1=CC=C(C=C1)C(=NC2=CC=CC=C2N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N","JVWDUURTIAJSPV-UHFFFAOYSA-N","369355",NA,"PDBC42256","641111","Present"
-"N-Benzoyl-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-Benzoyl-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide","","C1=CC=C(C=C1)CSC2=NSC(=N2)N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","HXMRZWYSDNKXBD-UHFFFAOYSA-N","399746",NA,"PDBC42257","710841","Present"
-"N-Benzoyl-N-(3-butylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-Benzoyl-N-(3-butylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide","","CCCCSC1=NSC(=N1)N(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","ZSHVVFGBNGXFTD-UHFFFAOYSA-N","399744",NA,"PDBC42258","710839","Present"
-"N-Benzoyl-N-(4-chlorophenyl)-3-(4-((4-(hydroxy(oxido)amino)phenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide","","","","","","","","","","","","","","","","","","","","N-(4-Chlorophenyl)-N-[3-[3-methyl-4-[(4-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanoyl]benzamide","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC(=O)N(C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4","JEIWAHCFJHMULD-UHFFFAOYSA-N","378947",NA,"PDBC42259","662455","Present"
-"N-Benzoyl-N-(4-chlorophenyl)-3-oxo-3-(2-(1-(2-oxo-2H-chromen-3-yl)ethyl)hydrazino)propanamide","","","","","","","","","","","","","","","","","","","","N-Benzoyl-N-(4-chlorophenyl)-3-oxo-3-(2-(1-(2-oxo-2H-chromen-3-yl)ethyl)hydrazino)propanamide","","CC(C1=CC2=CC=CC=C2OC1=O)NNC(=O)CC(=O)N(C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4","HXIBKJJEAZWEMY-UHFFFAOYSA-N","378949",NA,"PDBC42260","662457","Present"
-"N-Benzoyldeacetylthiocolchicine","","","","","","","","","","","","","","","","","","","","n-benzoyldeacetylthiocolchicine","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=CC=C4)OC)OC","AHNUEGAJJOXHHL-UHFFFAOYSA-N","339411",NA,"PDBC42261","366078","Present"
-"N-Benzoyldeoxycytidine","","","","","","","","","","","","","","","","","","","","NSC609074","","C1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O","MPSJHJFNKMUKCN-UHFFFAOYSA-N","355456",NA,"PDBC42262","609074","Present"
-"N-Benzoyloxy-2,3,3-trichloro-1-(3-ethoxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)prop-2-en-1-imine oxide","","","","","","","","","","","","","","","","","","","","N-Benzoyloxy-2,3,3-trichloro-1-(3-ethoxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)prop-2-en-1-imine oxide","","CCOC1=CC2=C(C=C1)N=C2C(=[N+]([O-])OC(=O)C3=CC=CC=C3)C(=C(Cl)Cl)Cl","UECAWGNWMDRTKD-ULJHMMPZSA-N","24202619",NA,"PDBC42263","714430","Present"
-"N-Benzoyloxy-N-butoxybenzamide","","","","","","","","","","","","","","","","","","","","N-Benzoyloxy-N-butoxybenzamide","","CCCCON(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2","PKUGGDDWRHPYQT-UHFFFAOYSA-N","10979910",NA,"PDBC42264","742462","Present"
-"N-Benzyl(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine","","","","","","","","","","","","","","","","","","","","N-Benzyl(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine","","CCCC[Sn]1(OCC(O1)CN(C)CC2=CC=CC=C2)CCCC","VZPKQBKTFYTNPJ-UHFFFAOYSA-N","16683177",NA,"PDBC42265","633512","Present"
-"N-Benzyl-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine","","","","","","","","","","","","","","","","","","","","N-Benzyl-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine","","C1=CC=C(C=C1)CN=C2NC3=C(C=NC=C3)S(=O)(=O)N2C4=CC=CC=C4","WGIIODSXZXZCPD-UHFFFAOYSA-N","135426714",NA,"PDBC42266","710892","Present"
-"N-Benzyl-1-[10-[4-(benzylamino)-2-methylquinolin-1-ium-1-yl]decyl]-2-methylquinolin-1-ium-4-amine;perchlorate","","","","","","","","","","","","","","","","","","","","Quinolinium, 1,1'-(1,10-decanediyl)bis[(2-methyl- 4-(phe...","","CC1=[N+](C2=CC=CC=C2C(=C1)NCC3=CC=CC=C3)CCCCCCCCCC[N+]4=C(C=C(C5=CC=CC=C54)NCC6=CC=CC=C6)C.[O-]Cl(=O)(=O)=O","NKVCRJQSZFQRES-UHFFFAOYSA-O","387881",NA,"PDBC42267","682094","Present"
-"N-Benzyl-1-[[1-[(2,3-dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-amine","","","","","","","","","","","","","","","","","","","","3-[[4-[[4-(Benzylamino)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]methoxy]propane-1,2-diol","","C1=CC=C(C=C1)CNC2=C3C=NN(C3=NC=N2)CC4=CN(N=N4)COCC(CO)O","DDONAQMBNQWHSZ-UHFFFAOYSA-N","398133",NA,"PDBC42268","707560","Present"
-"N-Benzyl-1-diphenylphosphoryl-1-(4-fluorophenyl)methanamine","","","","","","","","","","","","","","","","","","","","N-Benzyl-1-diphenylphosphoryl-1-(4-fluorophenyl)methanamine","","C1=CC=C(C=C1)CNC(C2=CC=C(C=C2)F)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","ALDGIMMWRISIHN-UHFFFAOYSA-N","385490",NA,"PDBC42269","676739","Present"
-"N-Benzyl-1-methyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-Benzyl-1-methyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-amine;hydrochloride","","CC(C)C1=CC2=C(C=C1)C3CCCC(C3CC2)(C)NCC4=CC=CC=C4.Cl","HEWPBVHYNWPTHT-UHFFFAOYSA-N","24181915",NA,"PDBC42270","12517","Present"
-"N-Benzyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide","","","","","","","","","","","","","","","","","","","","NSC646175","","CSC(=[N+](CC1=CC=CC=C1)[O-])C2=CC=CC=C2.I","WRKYOPCGXXNIFE-YFKNTREVSA-N","5466976",NA,"PDBC42271","646175","Present"
-"N-Benzyl-1H-imidazo[4,5-d]pyridazin-4-amine","","","","","","","","","","","","","","","","","","","","N-Benzyl-1H-imidazo[4,5-d]pyridazin-4-amine","","C1=CC=C(C=C1)CNC2=C3C(=CN=N2)NC=N3","OMCMGFHSYKSIQQ-UHFFFAOYSA-N","5469588",NA,"PDBC42272","690572","Present"
-"N-Benzyl-2,2,2-trifluoro-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(4-methylphenyl)sulfanylbutyl]acetamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-2,2,2-trifluoro-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(4-methylphenyl)sulfanylbutyl]acetamide","","CC1=CC=C(C=C1)SC(C)C(CN(CC2=CC=CC=C2)C(=O)C(F)(F)F)(CF)O","FEPXLINFDLCAMN-OXJNMPFZSA-N","399836",NA,"PDBC42273","710972","Present"
-"N-Benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine","","","","","","","","","","","","","","","","","","","","STL332113","","C1CC2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CC=C4","FSXVHPCDUBUHDH-UHFFFAOYSA-N","402667",NA,"PDBC42274","716853","Present"
-"N-Benzyl-2,4-dihydroxy-3-quinolinecarboxamide","","","","","","","","","","","","","","","","","","","","IFLab1_000545","","C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O","WKAZEVUZAKRWHB-UHFFFAOYSA-N","54680441",NA,"PDBC42275","675972","Present"
-"N-Benzyl-2-(1,1-dioxo-2,5-dihydrothiophen-2-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-2-(1,1-dioxo-2,5-dihydrothiophen-2-yl)acetamide","","C1C=CC(S1(=O)=O)CC(=O)NCC2=CC=CC=C2","GOURKYYFKQTJQJ-UHFFFAOYSA-N","337571",NA,"PDBC42276","356125","Present"
-"N-Benzyl-2-(2-fluorophenyl)iminochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-2-(2-fluorophenyl)iminochromene-3-carboxamide","","C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=NC4=CC=CC=C4F","XNULQNMAHNKRBJ-UHFFFAOYSA-N","397096",NA,"PDBC42277","704409","Present"
-"N-Benzyl-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide","","C1=CC=C(C=C1)CNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","VUAGFSYOPZXUCQ-UHFFFAOYSA-N","394887",NA,"PDBC42278","698978","Present"
-"N-Benzyl-2-(hydroxyimino)-3-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-2-(hydroxyimino)-3-oxobutanamide","","CC(=C(C(=O)NCC1=CC=CC=C1)N=O)O","SGPOGXPZVKBRGV-CSKARUKUSA-N","135462464",NA,"PDBC42279","636332","Present"
-"N-Benzyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide","","C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=NC4=CC=CC(=C4)C(F)(F)F","QDSBHGXWHAIFBK-UHFFFAOYSA-N","397100",NA,"PDBC42280","704413","Present"
-"N-Benzyl-2-imino-6-methoxy-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","STL513111","","COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NCC3=CC=CC=C3","OUEWFLQNABACDL-UHFFFAOYSA-N","389254",NA,"PDBC42281","685007","Present"
-"N-Benzyl-2-imino-6-nitrochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","STL321173","","C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=N","XOWPOGBKBUXEIQ-UHFFFAOYSA-N","389247",NA,"PDBC42282","685000","Present"
-"N-Benzyl-2-methyl-N'-[1-[(2-phenylacetyl)amino]ethyl]propanediamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-2-methyl-N'-[1-[(2-phenylacetyl)amino]ethyl]propanediamide","","CC(C(=O)NCC1=CC=CC=C1)C(=O)NC(C)NC(=O)CC2=CC=CC=C2","SHYYRCZBCBGHIY-UHFFFAOYSA-N","387032",NA,"PDBC42283","680352","Present"
-"N-Benzyl-2H-triazolo[4,5-d]pyrimidin-7-amine","","","","","","","","","","","","","","","","","","","","PUG-4","","C1=CC=C(C=C1)CNC2=NC=NC3=NNN=C32","WUNPRFMUHCNVCF-UHFFFAOYSA-N","6413260",NA,"PDBC42284","401055","Present"
-"N-Benzyl-3-(3,3-dimethyltriazeno)-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-153969","","CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)N=NN(C)C","KTMWOHRYHUGIKO-UHFFFAOYSA-N","374084",NA,"PDBC42285","651344","Present"
-"N-Benzyl-3-chloro-6-(1H-indol-3-yl)-4,5-dihydro-4-pyridazinamine","","","","","","","","","","","","","","","","","","","","N-Benzyl-3-chloro-6-(1H-indol-3-yl)-4,5-dihydro-4-pyridazinamine","","C1C(C(=NN=C1C2=CNC3=CC=CC=C32)Cl)NCC4=CC=CC=C4","DCZBRUFXIOGMBZ-UHFFFAOYSA-N","392042",NA,"PDBC42286","691841","Present"
-"N-Benzyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","N-Benzyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine","","C1=CC=C(C=C1)CNC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","XWHJJXIICIRMAC-UHFFFAOYSA-N","367581",NA,"PDBC42287","637414","Present"
-"N-Benzyl-3-tert-butyl-N-isopropyl-1H-1,2,4-triazole-5-sulfonamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-3-tert-butyl-N-isopropyl-1H-1,2,4-triazole-5-sulfonamide","","CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=NNC(=N2)C(C)(C)C","FNAIIMJOJHJXQH-UHFFFAOYSA-N","333274",NA,"PDBC42288","333544","Present"
-"N-Benzyl-4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzamide","","C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CSC(=N3)C4=CC=CC=C4","PCHFWHGGOBTFPI-FOCLMDBBSA-N","5470489",NA,"PDBC42289","702135","Present"
-"N-Benzyl-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide","","C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4","UQDUAVRREQDFHY-KNTRCKAVSA-N","5470470",NA,"PDBC42290","702116","Present"
-"N-Benzyl-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide","","C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4","JLFVZYHAHGSNDK-HMMYKYKNSA-N","5470468",NA,"PDBC42291","702114","Present"
-"N-Benzyl-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide","","C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)C4=CC=CC=C4","ZPOVAVPLWGMKOX-HMMYKYKNSA-N","5470465",NA,"PDBC42292","702111","Present"
-"N-Benzyl-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide","","C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC4=CC=CC=C4C=C3","OOVJNXMYROIWAK-GHRIWEEISA-N","5470482",NA,"PDBC42293","702128","Present"
-"N-Benzyl-5-chloropyrazine-2-carboxamide","","","","","","","","","","","","","","","","","","","","5-Chloro-pyrazine-2-carboxylic acid benzylamide","","C1=CC=C(C=C1)CNC(=O)C2=CN=C(C=N2)Cl","ACZUOVLQJHTYDK-UHFFFAOYSA-N","406085",NA,"PDBC42294","724003","Present"
-"N-Benzyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-Benzyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride","","CC1=C(NC(=C1C(=O)CCCCC(=O)NCC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC.Cl","CGOKCMRZNUGTNJ-KJEABERCSA-N","135958530",NA,"PDBC42295","746823","Present"
-"N-Benzyl-6-bromo-N-methylquinazolin-4-amine","","","","","","","","","","","","","","","","","","","","N4-benzyl-N4-methyl-6-bromo-4-quinazolinamine benzyl(6-b...","","CN(CC1=CC=CC=C1)C2=NC=NC3=C2C=C(C=C3)Br","XJZIQNNJZWPUOX-UHFFFAOYSA-N","660009",NA,"PDBC42296","727843","Present"
-"N-Benzyl-6-chloro-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","CBDivE_014574","","C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)Cl","XSDWOOUKAMFWTM-UHFFFAOYSA-N","389521",NA,"PDBC42297","685812","Present"
-"N-Benzyl-6-chloro-2-imino-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-6-chloro-2-imino-2H-chromene-3-carboxamide","","C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N","ILPJANFJJUOYLT-UHFFFAOYSA-N","389248",NA,"PDBC42298","685001","Present"
-"N-Benzyl-6-ethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine","","","","","","","","","","","","","","","","","","","","N-Benzyl-6-ethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine","","CCOC1=NC2=C(N=C1NCC3=CC=CC=C3)N=C(N=C2N4CCCC4)N5CCNCC5","ZCSMHNVGDNUTNN-UHFFFAOYSA-N","403208",NA,"PDBC42299","717863","Present"
-"N-Benzyl-7-hydroxy-2-imino-2H-chromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","NPD5680","","C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C(C=C3)O)OC2=N","WNMOXELIHBLDDF-UHFFFAOYSA-N","135489853",NA,"PDBC42300","685004","Present"
-"N-Benzyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","N-Benzyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","CC1C(C2=CC3=C(C=C2OC1NCC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","CUKBCVYSDUVKMO-UHFFFAOYSA-N","384845",NA,"PDBC42301","675363","Present"
-"N-Benzyl-9H-pyrido[3,4-b]indol-6-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC629813","","C1=CC=C(C=C1)CNC2=CC3=C(C=C2)NC4=C3C=CN=C4.Cl","NKEKVOWZMBRWEM-UHFFFAOYSA-N","364141",NA,"PDBC42302","629813","Present"
-"N-Benzyl-N''-cyano-N'-methylguanidine","","","","","","","","","","","","","","","","","","","","1-Benzyl-3-cyano-2-methylguanidine","","CN=C(NCC1=CC=CC=C1)NC#N","GYAPXLSAWAVQGC-UHFFFAOYSA-N","373919",NA,"PDBC42303","650949","Present"
-"N-Benzyl-N'-butyl-N''-cyanoguanidine","","","","","","","","","","","","","","","","","","","","2-Benzyl-1-butyl-3-cyanoguanidine","","CCCCNC(=NCC1=CC=CC=C1)NC#N","QRULYQAAXJJSTA-UHFFFAOYSA-N","373920",NA,"PDBC42304","650950","Present"
-"N-Benzyl-N'-cyano-N''-(2-(1H-indol-3-yl)ethyl)guanidine","","","","","","","","","","","","","","","","","","","","N-Benzyl-N'-cyano-N''-(2-(1H-indol-3-yl)ethyl)guanidine","","C1=CC=C(C=C1)CN=C(NCCC2=CNC3=CC=CC=C32)NC#N","GRVIIEDQQWILLQ-UHFFFAOYSA-N","375246",NA,"PDBC42305","654635","Present"
-"N-Benzyl-N,2,4,4-tetramethylpentyl)phenoxy)ethoxy)ethanaminium chloride","","","","","","","","","","","","","","","","","","","","N-benzyl-N,N-dimethyl-2-(2-(4-(2,2,4,4-tetramethylpentyl...","","CC(C)(C)CC(C)(C)CC1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]","PVHBPHNVNIBLFU-UHFFFAOYSA-M","24186107",NA,"PDBC42306","45831","Present"
-"N-Benzyl-N,N-dimethylhexadecan-1-aminium hexafluorophosphate","","","","","","","","","","","","","","","","","","","","N-Benzyl-N,N-dimethylhexadecan-1-aminium hexafluorophosphate","","CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.F[P-](F)(F)(F)(F)F","QLHDZCGJKUISDO-UHFFFAOYSA-N","24181101",NA,"PDBC42307","4844","Present"
-"N-Benzyl-N-((4-fluorophenyl)(4-morpholinyl)methylene)amine","","","","","","","","","","","","","","","","","","","","N-Benzyl-N-((4-fluorophenyl)(4-morpholinyl)methylene)amine","","C1COCCN1C(=NCC2=CC=CC=C2)C3=CC=C(C=C3)F","BAQASOCKSAZCAP-UHFFFAOYSA-N","391447",NA,"PDBC42308","690651","Present"
-"N-Benzyl-N-(2-hydroxyethyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-N-(2-hydroxyethyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide","","CC1=C(C(=O)NC(=O)N1)C(=O)N(CCO)CC2=CC=CC=C2","WVLUZPWPPRRJPS-UHFFFAOYSA-N","382102",NA,"PDBC42309","669466","Present"
-"N-Benzyl-N-(2-iodophenyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-N-(2-iodophenyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide","","C1CC2(CC=C1C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4I)OCCO2","FTKZJCRIVSSNFB-UHFFFAOYSA-N","393191",NA,"PDBC42310","694679","Present"
-"N-Benzyl-N-(2-iodylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-benzyl-N-(2-iodylphenyl)acetamide","","CC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2I(=O)=O","YNUZDUVGRGRKKA-UHFFFAOYSA-N","24205925",NA,"PDBC42311","737262","Present"
-"N-Benzyl-N-(methylsulfonyl)glycine","","","","","","","","","","","","","","","","","","","","CBKinase1_002373","","CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)O","ISJFVWJWYPWOKS-UHFFFAOYSA-N","300151",NA,"PDBC42312","174267","Present"
-"N-Benzyl-N-hydroxyacetamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-N-hydroxyacetamide","","CC(=O)N(CC1=CC=CC=C1)O","AXLWZCHBAVVXRU-UHFFFAOYSA-N","371716",NA,"PDBC42313","646165","Present"
-"N-Benzyl-N-phenyl-1-benzofuran-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Benzyl-N-phenyl-1-benzofuran-2-carboxamide","","C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3","MNNOTYOXUNXPPQ-UHFFFAOYSA-N","370571",NA,"PDBC42314","643816","Present"
-"N-Benzyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine","","","","","","","","","","","","","","","","","","","","N-Benzyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine","","C1=CC=C(C=C1)CN(C2=CC=CC=C2)C3=NC(=NC4=C3C=NN4)N","LWXSWMUODCMJDQ-UHFFFAOYSA-N","54613473",NA,"PDBC42315","749732","Present"
-"N-Benzylidene-2-(1,3-dithian-2-yl)aniline","","","","","","","","","","","","","","","","","","","","N-Benzylidene-2-(1,3-dithian-2-yl)aniline","","C1CSC(SC1)C2=CC=CC=C2N=CC3=CC=CC=C3","LSSSWSPCPSQWFT-UHFFFAOYSA-N","389273",NA,"PDBC42316","685026","Present"
-"N-Benzylidene-2-tert-butyl-3,3-dimethyl-1-butene-1-sulfinamide","","","","","","","","","","","","","","","","","","","","N-Benzylidene-2-tert-butyl-3,3-dimethyl-1-butene-1-sulfinamide","","CC(C)(C)C(=CS(=O)N=CC1=CC=CC=C1)C(C)(C)C","IFJIHDZDVFQSKL-LDADJPATSA-N","9571369",NA,"PDBC42317","649100","Present"
-"N-Benzylidene-4-(3-phenylbenzo[f]quinolin-1-yl)aniline","","","","","","","","","","","","","","","","","","","","N-Benzylidene-4-(3-phenylbenzo[f]quinolin-1-yl)aniline","","C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CC(=NC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6","NFKDYJICOHIJDQ-UHFFFAOYSA-N","379933",NA,"PDBC42318","665125","Present"
-"N-Benzyloxy-[3(e), 5(e)]-trihydroxypiperidine","","","","","","","","","","","","","","","","","","","","N-Benzyloxy-[3(e), 4(a), 5(e)]-trihydroxypiperidine","","C1C(C(C(CN1OCC2=CC=CC=C2)O)O)O","RZVUXZBOYSQAPJ-FOSCPWQOSA-N","384354",NA,"PDBC42319","674061","Present"
-"N-Boc-3,4-O-Isopropyliden-2-amino-2-deoxy-D-erythronsaure methyl ester","","","","","","","","","","","","","","","","","","","","N-Boc-3,4-O-Isopropyliden-2-amino-2-deoxy-D-erythronsaur...","","CC1(OCC(O1)C(C(=O)OC)NC(=O)OC(C)(C)C)C","ZPQKCEVGRNSFTD-RKDXNWHRSA-N","388427",NA,"PDBC42320","683335","Present"
-"N-Boc-piperidine-4-carboxylic acid methyl ester","","","","","","","","","","","","","","","","","","","","zlchem 373","","CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC","PTZNCCIULVXFIJ-UHFFFAOYSA-N","392870",NA,"PDBC42321","693923","Present"
-"N-Bromoacetyltryptamine","","","","","","","","","","","","","","","","","","","","N-Bromoacetyltryptamine","","C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CBr","TZRUZONGYSVOGE-UHFFFAOYSA-N","399698",NA,"PDBC42322","710616","Present"
-"N-Butanoyl-N-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide","","","","","","","","","","","","","","","","","","","","Butanamide, N-(3-chloro-1,4-dioxo-2-naphthalenyl)- N-(1-...","","CCCC(=O)N(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)CCC","KIHGVJLEFGJROI-UHFFFAOYSA-N","389899",NA,"PDBC42323","686550","Present"
-"N-Butoxy-N-(pyren-1-carboxoyloxy)acetamide","","","","","","","","","","","","","","","","","","","","N-butoxy-N-(pyren-1-carboxoyloxy)acetamide","","CCCCON(C(=O)C)OC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1","SLNHRPMJOVFFQB-UHFFFAOYSA-N","45028397",NA,"PDBC42324","742463","Present"
-"N-Butoxy-N-naphthoyloxybenzamide","","","","","","","","","","","","","","","","","","","","N-Butoxy-N-naphthoyloxybenzamide","","CCCCON(C(=O)C1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3C=C2","ZUUYZNRADLORAU-UHFFFAOYSA-N","45028398",NA,"PDBC42325","742464","Present"
-"N-Butyl-1-isobutyl-imidazo[4,5-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-Butyl-1-isobutyl-imidazo[4,5-c]quinolin-4-amine","","CCCCNC1=NC2=CC=CC=C2C3=C1N=CN3CC(C)C","QNEILFXRUKWDEH-UHFFFAOYSA-N","383964",NA,"PDBC42326","672968","Present"
-"N-Butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","4-(BUTYLAMINO)-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE","","CCCCNC1=C2C=NN(C2=NC=N1)C3=CC=CC=C3","GINHYDUSSMVIEH-UHFFFAOYSA-N","219760",NA,"PDBC42327","1433","Present"
-"N-Butyl-2-[(5Z)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]acetamide","","","","","","","","","","","","","","","","","","","","(Z)-Butyl 2-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)m...","","CCCCNC(=O)CC1=C(C(=CC2=C(C=C(N2)C3=CC=CN3)OC)N=C1C)C","AEWJIJQHCCNDCS-PDGQHHTCSA-N","155806938",NA,"PDBC42328","787812","Present"
-"N-Butyl-2-[4-[(butylamino)sulfonyl]phenyl]dibenzothiophene-7-sulfonamide 5,5-dioxide","","","","","","","","","","","","","","","","","","","","N-Butyl-8-[4-(butylsulfamoyl)phenyl]-5,5-dioxo-dibenzothiophene-3-sulfonamide","","CCCCNS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)C4=C3C=CC(=C4)S(=O)(=O)NCCCC","PZEJSFJLBCVRBG-UHFFFAOYSA-N","373257",NA,"PDBC42329","649351","Present"
-"N-Butyl-2-chloro-4-methylsulfanyl-5-[(2-oxo-1H-imidazol-3-yl)sulfonyl]benzamide","","","","","","","","","","","","","","","","","","","","N-Butyl-2-chloro-4-methylsulfanyl-5-[(2-oxo-1H-imidazol-3-yl)sulfonyl]benzamide","","CCCCNC(=O)C1=CC(=C(C=C1Cl)SC)S(=O)(=O)N2C=CNC2=O","TZZCKXLPTGGTRD-UHFFFAOYSA-N","387412",NA,"PDBC42330","681160","Present"
-"N-Butyl-3,5-dihydroxy-1,2,4-triazine-6-sulfonamide","","","","","","","","","","","","","","","","","","","","N-Butyl-3,5-dihydroxy-1,2,4-triazine-6-sulfonamide","","CCCCNS(=O)(=O)C1=NNC(=O)NC1=O","PTKRCUQNJRECDH-UHFFFAOYSA-N","267917",NA,"PDBC42331","107696","Present"
-"N-Butyl-8-chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","","","","","","","","","","","","","","","","","","","N-Butyl-8-chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide","","CCCCNC(=O)C1=CC2=C(C=C1Cl)SC3=NC=CN3S2(=O)=O","JTPAIUMWASQFCM-UHFFFAOYSA-N","387416",NA,"PDBC42332","681164","Present"
-"N-Butyl-N'-(6-methoxyquinolin-8-yl)pentane-1,5-diamine;hydrobromide","","","","","","","","","","","","","","","","","","","","N-Butyl-N'-(6-methoxyquinolin-8-yl)pentane-1,5-diamine;hydrobromide","","CCCCNCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.Br","YFOMUPCJZWGLCA-UHFFFAOYSA-N","54603801",NA,"PDBC42333","56646","Present"
-"N-Butyl-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide","","","","","","","","","","","","","","","","","","","","N-Butyl-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide","","CCCCN(C1CCC(=O)C2=C1C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4","GFESUKTUVVVHAM-UHFFFAOYSA-N","384059",NA,"PDBC42334","673183","Present"
-"N-Butyl-N-diphenoxyphosphorylbutan-1-amine","","","","","","","","","","","","","","","","","","","","N-Butyl-N-diphenoxyphosphorylbutan-1-amine","","CCCCN(CCCC)P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2","LXYHZOHBLJTVPY-UHFFFAOYSA-N","409181",NA,"PDBC42335","19192","Present"
-"N-Butyl-N-ethyl-10-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)decan-1-amine","","","","","","","","","","","","","","","","","","","","N-Butyl-N-ethyl-10-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)decan-1-amine","","CCCCN(CC)CCCCCCCCCCN1CCCC2=C1C=CC(=C2)OC","VFMRXYQTDRTCFR-UHFFFAOYSA-N","225137",NA,"PDBC42336","14241","Present"
-"N-Butyl-N-ethyl-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide","","","","","","","","","","","","","","","","","","","","N-Butyl-N-ethyl-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide","","CCCCN(CC)C(=O)C(=O)C1C(=O)NC2=CC=CC=C2S1=O","KEQJNJMTNXUPGE-UHFFFAOYSA-N","369545",NA,"PDBC42337","641406","Present"
-"N-Butyl-alpha-phenylmorpholine-4-methanimine","","","","","","","","","","","","","","","","","","","","N-Butyl-alpha-phenylmorpholine-4-methanimine","","CCCCN=C(C1=CC=CC=C1)N2CCOCC2","HFMYUBLNIKHIRW-UHFFFAOYSA-N","391446",NA,"PDBC42338","690650","Present"
-"N-Butylspiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine","","","","","","","","","","","","","","","","","","","","N-Butylspiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine","","CCCCNC1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2","NIXHDTOXNDROPU-UHFFFAOYSA-N","384058",NA,"PDBC42339","673182","Present"
-"N-Butyryldeacetylcolchicine","","","","","","","","","","","","","","","","","","","","n-butyryldeacetylcolchicine","","CCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","XWHJWSRKXWWZRN-UHFFFAOYSA-N","434137",NA,"PDBC42340","343493","Present"
-"N-Carbamoyl-1-(4-methoxyphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Carbamoyl-1-(4-methoxyphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide","","COC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC(=O)N","CEDWRRNGZKOUTM-UHFFFAOYSA-N","393741",NA,"PDBC42341","696266","Present"
-"N-Carbamoyl-3-[(2-chloroacetyl)amino]benzamide","","","","","","","","","","","","","","","","","","","","3-chloroacetamido-benzoylurea","","C1=CC(=CC(=C1)NC(=O)CCl)C(=O)NC(=O)N","LITSAODXEQICGH-UHFFFAOYSA-N","398524",NA,"PDBC42342","708439","Present"
-"N-Carbamoyl-3-[(2-fluoroacetyl)amino]benzamide","","","","","","","","","","","","","","","","","","","","3-Fluoroacetamido-benzoylurea","","C1=CC(=CC(=C1)NC(=O)CF)C(=O)NC(=O)N","CSMDLWPNYYCKAC-UHFFFAOYSA-N","398523",NA,"PDBC42343","708438","Present"
-"N-Carbamoylpyrazine-2-carboxamide","","","","","","","","","","","","","","","","","","","","1-(2-Pyrazinylcarbonyl)urea","","C1=CN=C(C=N1)C(=O)NC(=O)N","IIRLWRMUHCLRGV-UHFFFAOYSA-N","396440",NA,"PDBC42344","702413","Present"
-"N-Cinnamoyl loline","","","","","","","","","","","","","","","","","","","","N-Cinnamoyl loline","","CN(C1C2CN3C1C(O2)CC3)C(=O)C=CC4=CC=CC=C4","ALEFCBNVSYHVGL-BQYQJAHWSA-N","5387458",NA,"PDBC42345","623835","Present"
-"N-Cyano-N'-(2-methylphenyl)guanidine","","","","","","","","","","","","","","","","","","","","1-cyano-3-(o-tolyl)guanidine","","CC1=CC=CC=C1N=C(N)NC#N","YSDZQAQCSRAWSK-UHFFFAOYSA-N","382486",NA,"PDBC42346","670092","Present"
-"N-Cyano-N'-methacryloylguanidine","","","","","","","","","","","","","","","","","","","","2-Propenamide, N-[(cyanoamino)iminomethyl]-2-methyl-","","CC(=C)C(=O)NC(=NC#N)N","OTCJOQNMTFSYNR-UHFFFAOYSA-N","135429904",NA,"PDBC42347","372155","Present"
-"N-Cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","GW782912X","","CC1=C(C=C(C=C1)C(=O)NC2CCC2)C3=CC=C(C=C3)C(=O)NCC4CC4","RPNGVORGBYYVHT-UHFFFAOYSA-N","44578255",NA,"PDBC42348","756347","Present"
-"N-Cyclohexyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine","","C1CCC(CC1)N=C2CCNC3=CC=CC=C3N2","OOMPHYGXHIAPKV-UHFFFAOYSA-N","135426650",NA,"PDBC42349","705839","Present"
-"N-Cyclohexyl-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-sulfonamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-sulfonamide","","C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCOCCOCCOCCO3","IKTMHIVNKJEVFX-UHFFFAOYSA-N","376527",NA,"PDBC42350","657486","Present"
-"N-Cyclohexyl-2-((6-(2-(4-isopropylphenyl)vinyl)-2-mercapto-4-pyrimidinyl)carbonyl)hydrazinecarboxamide","","","","","","","","","","","","","","","","","","","","1-Cyclohexyl-3-[[6-[(E)-2-(4-isopropylphenyl)vinyl]-2-sulfanyl-pyrimidine-4-carbonyl]amino]urea","","CC(C)C1=CC=C(C=C1)C=CC2=CC(=NC(=S)N2)C(=O)NNC(=O)NC3CCCCC3","SSJPAPHDBGNZKD-JLHYYAGUSA-N","5388438",NA,"PDBC42351","636117","Present"
-"N-Cyclohexyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide","","C1CCC(CC1)NC(=O)CN2C3=C(CCCC3)C4=CC=CC=C42","KHOHHFHWVKMROD-UHFFFAOYSA-N","381585",NA,"PDBC42352","668376","Present"
-"N-Cyclohexyl-2-(4-phenyltriazol-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-2-(4-phenyltriazol-1-yl)acetamide","","C1CCC(CC1)NC(=O)CN2C=C(N=N2)C3=CC=CC=C3","IBVHUTYYHVNJLS-UHFFFAOYSA-N","386627",NA,"PDBC42353","679081","Present"
-"N-Cyclohexyl-2-[2-(2-hydroxy-3,5-dimethylcyclohexyl)-6-oxooxan-4-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-2-[2-(2-hydroxy-3,5-dimethylcyclohexyl)-6-oxooxan-4-yl]acetamide","","CC1CC(C(C(C1)C2CC(CC(=O)O2)CC(=O)NC3CCCCC3)O)C","GZWODCBDYVQTID-UHFFFAOYSA-N","386141",NA,"PDBC42354","677773","Present"
-"N-Cyclohexyl-2-imino-8-prop-2-enylchromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-2-imino-8-prop-2-enylchromene-3-carboxamide","","C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3CCCCC3","PVVQIQVGNMZIGK-UHFFFAOYSA-N","395965",NA,"PDBC42355","701089","Present"
-"N-Cyclohexyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine;hydrochloride","","C1CCC(CC1)N=C2CC(NC3=CC=CC=C3N2)C4=CC=CC=C4.Cl","ZJSFNLBWLQAUIH-UHFFFAOYSA-N","135505221",NA,"PDBC42356","705841","Present"
-"N-Cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide","","C1CCC(CC1)NC(=S)N2CCNC2=S","FIXPLCVZQAYSFH-UHFFFAOYSA-N","3005453",NA,"PDBC42357","704174","Present"
-"N-Cyclohexyl-2-thioxo-1-imidazolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-2-thioxo-1-imidazolidinecarboxamide","","C1CCC(CC1)NC(=O)N2CCNC2=S","SIUOWCMHLJSHCK-UHFFFAOYSA-N","3005455",NA,"PDBC42358","704176","Present"
-"N-Cyclohexyl-3-(3,3-dimethyltriazeno)-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-153982","","CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)N=NN(C)C","FXHSCNZIZTUXTM-UHFFFAOYSA-N","374083",NA,"PDBC42359","651343","Present"
-"N-Cyclohexyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide","","","","","","","","","","","","","","","","","","","","N-cyclohexyl-4-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-...","","C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC3=C4C=NN(C4=NC=N3)C5=CC=CC=C5","SKZWHZCMLRRTSH-UHFFFAOYSA-N","127036356",NA,"PDBC42360","775951","Present"
-"N-Cyclohexyl-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC4CCCCC4","RDDCVZAYDBQJBH-UHFFFAOYSA-N","393097",NA,"PDBC42361","694482","Present"
-"N-Cyclohexyl-4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidine-5-carboxamide","","CN1C(=C(C(=O)N(C1=S)C)C(=O)NC2CCCCC2)O","ONFLGGFFTXJQME-UHFFFAOYSA-N","371517",NA,"PDBC42362","645839","Present"
-"N-Cyclohexyl-4-methyl-3-oxo-6,6-diphenyl-2,8-diazatricyclo[5.2.2.01,5]undeca-4,8,10-triene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-4-methyl-3-oxo-6,6-diphenyl-2,8-diazatricyclo[5.2.2.01,5]undeca-4,8,10-triene-2-carboxamide","","CC1=C2C3(C=CC(C2(C4=CC=CC=C4)C5=CC=CC=C5)N=C3)N(C1=O)C(=O)NC6CCCCC6","XHFBCUUIJRMUDD-UHFFFAOYSA-N","365086",NA,"PDBC42363","632111","Present"
-"N-Cyclohexyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide","","C1CCC(CC1)NC(=O)C2=C(NC(=S)NC2=O)O","OPMCRBPRJLNCQJ-UHFFFAOYSA-N","3267866",NA,"PDBC42364","645837","Present"
-"N-Cyclohexyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine","","CC1C(C2=CC3=C(C=C2OC1NC4CCCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","PDVGRMYFRCDRDU-UHFFFAOYSA-N","384847",NA,"PDBC42365","675365","Present"
-"N-Cyclohexyl-N'-(3-fluoro-1-adamantyl)urea","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-N'-(3-fluoro-1-adamantyl)urea","","C1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)(C3)F","UEBGOLDCBLRMLD-UHFFFAOYSA-N","371832",NA,"PDBC42366","646348","Present"
-"N-Cyclohexyl-N,6-dimethylquinazolin-4-amine","","","","","","","","","","","","","","","","","","","","N4-cyclohexyl-N4,6-dimethyl-4-quinazolinamine cyclohexyl...","","CC1=CC2=C(C=C1)N=CN=C2N(C)C3CCCCC3","XATHVDRZOYLAQD-UHFFFAOYSA-N","720997",NA,"PDBC42367","727839","Present"
-"N-Cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-furamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-furamide","","C1CCC(CC1)N(C(=O)C2=CC=CO2)C(=S)N3CCN(CC3)C4=CC=CC=N4","SVBVCWPJHHDFOF-UHFFFAOYSA-N","376066",NA,"PDBC42368","656465","Present"
-"N-Cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide","","C1CCC(CC1)N(C(=O)C2=CC=CS2)C(=S)N3CCN(CC3)C4=CC=CC=N4","QQSVHOFXAVINFJ-UHFFFAOYSA-N","376065",NA,"PDBC42369","656464","Present"
-"N-Cyclohexyl-N-((4-methyl-1-piperazinyl)carbothioyl)-2-furamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-N-((4-methyl-1-piperazinyl)carbothioyl)-2-furamide","","CN1CCN(CC1)C(=S)N(C2CCCCC2)C(=O)C3=CC=CO3","YFXSBNPBCFCQNI-UHFFFAOYSA-N","376048",NA,"PDBC42370","656447","Present"
-"N-Cyclohexyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide","","CN1CCN(CC1)C(=S)N(C2CCCCC2)C(=O)C3=CC=CS3","LHDVCMIDWUDFGX-UHFFFAOYSA-N","376047",NA,"PDBC42371","656446","Present"
-"N-Cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)furan-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)furan-2-carboxamide","","C1CCC(CC1)N(C(=O)C2=CC=CO2)C(=S)N3CCN(CC3)C4=CC=CC=C4","TYCVNLNDDLHWIJ-UHFFFAOYSA-N","376057",NA,"PDBC42372","656456","Present"
-"N-Cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)thiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)thiophene-2-carboxamide","","C1CCC(CC1)N(C(=O)C2=CC=CS2)C(=S)N3CCN(CC3)C4=CC=CC=C4","LWCKKTCRDXGVHX-UHFFFAOYSA-N","376056",NA,"PDBC42373","656455","Present"
-"N-Cyclohexyl-N-hydroxybenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","N-cyclohexyl-N-hydroxy-benzamidine","","C1CCC(CC1)N(C(=N)C2=CC=CC=C2)O","PFSJPBGXWOXIDL-UHFFFAOYSA-N","361546",NA,"PDBC42374","624724","Present"
-"N-Cyclohexylcyclohexanamine;2-hydroxy-5,5-dimethyl-2-oxo-1,2lambda5-oxaphospholan-4-one","","","","","","","","","","","","","","","","","","","","N-Cyclohexylcyclohexanamine;2-hydroxy-5,5-dimethyl-2-oxo-1,2lambda5-oxaphospholan-4-one","","CC1(C(=O)CP(=O)(O1)O)C.C1CCC(CC1)NC2CCCCC2","MOBOHLRVJCARJD-UHFFFAOYSA-N","380895",NA,"PDBC42375","666678","Present"
-"N-Cyclohexylidene-3-methyl-2,3-dihydro-1,3-oxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-Cyclohexylidene-3-methyl-2,3-dihydro-1,3-oxazol-2-amine","","CN1C=COC1N=C2CCCCC2","SZZNRQNBINNIKB-UHFFFAOYSA-N","379525",NA,"PDBC42376","664185","Present"
-"N-Cyclopentyl 2-(boc-amino)propanamide","","","","","","","","","","","","","","","","","","","","KM3973","","CC(C(=O)NC1CCCC1)NC(=O)OC(C)(C)C","FPJDSGXSDUWPCQ-UHFFFAOYSA-N","383826",NA,"PDBC42377","672443","Present"
-"N-Cyclopentyl-2-(4-phenyltriazol-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Cyclopentyl-2-(4-phenyltriazol-1-yl)acetamide","","C1CCC(C1)NC(=O)CN2C=C(N=N2)C3=CC=CC=C3","RJFXVMMYVFGNQZ-UHFFFAOYSA-N","386626",NA,"PDBC42378","679080","Present"
-"N-Cyclopentyl-N',3,5]triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N-Cyclopentyl-N',N''-bis-(4-methoxy-benzyl)-[1,3,5]triaz...","","COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCC3)NCC4=CC=C(C=C4)OC","HCHLTQUEAZUMOA-UHFFFAOYSA-N","405306",NA,"PDBC42379","722499","Present"
-"N-Cyclopropanoyl loline","","","","","","","","","","","","","","","","","","","","N-Cyclopropanoyl loline","","CN(C1C2CN3C1C(O2)CC3)C(=O)C4CC4","FXYHMIWPEOUVQP-UHFFFAOYSA-N","361059",NA,"PDBC42380","623833","Present"
-"N-Cyclopropyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine","","","","","","","","","","","","","","","","","","","","N-Cyclopropyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine","","CSC1=NC=C2C(OC3=CC=CC=C3C2=N1)NC4CC4","ZUJJUKJZOIGEEM-UHFFFAOYSA-N","390602",NA,"PDBC42381","688122","Present"
-"N-Cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","GW820759X","","CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)NN=C4","HZKJOEBOIMSMJP-UHFFFAOYSA-N","10469531",NA,"PDBC42382","756382","Present"
-"N-Cyclopropyl-6-(methylthio)-1,2-[1,3]butadieno-3,5,7,10,10a-pentaaza-4-thiabenzo[f]azulene-8-amine","","","","","","","","","","","","","","","","","","","","N-Cyclopropyl-5-methylsulfanyl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine","","CSC1=NC(=C2C=NN3C4=CC=CC=C4N=C3SC2=N1)NC5CC5","SBCSGWXRKROGFQ-UHFFFAOYSA-N","399938",NA,"PDBC42383","711090","Present"
-"N-Cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-Cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide","","C1CC1NC(=O)C2=C(NC(=S)NC2=O)O","DHSICKBMNGDWFI-UHFFFAOYSA-N","3728354",NA,"PDBC42384","645842","Present"
-"N-Cys HIV (583-599)","","","","","","","","","","","","","","","","","","","","N-Cys HIV (583-599)","","","","",NA,"PDBC42385","633661","Present"
-"N-Deacetylthiocolchicine","","","","","","","","","","","","","","","","","","","","thiocolciran","","COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)OC","NUNCOHUMTCDISK-AWEZNQCLSA-N","17649",NA,"PDBC42386","9170","Present"
-"N-Decyl-2-iodoacetamide","","","","","","","","","","","","","","","","","","","","N-DECYL-2-IODOACETAMIDE","","CCCCCCCCCCNC(=O)CI","YSZAILKODPQVOU-UHFFFAOYSA-N","219690",NA,"PDBC42387","1338","Present"
-"N-Dibenzofuran-3-ylpyridine-3-carbothioamide","","","","","","","","","","","","","","","","","","","","N-Dibenzofuran-3-ylpyridine-3-carbothioamide","","C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)C4=CN=CC=C4","MQCJNPKFWQIEQK-UHFFFAOYSA-N","3005417",NA,"PDBC42388","698579","Present"
-"N-Dibenzofuran-3-ylthiophene-2-carbothioamide","","","","","","","","","","","","","","","","","","","","N-Dibenzofuran-3-ylthiophene-2-carbothioamide","","C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)C4=CC=CS4","GZQQAKFFXBGHQA-UHFFFAOYSA-N","3005257",NA,"PDBC42389","687315","Present"
-"N-Diethoxyphosphoryl-2-ethylaniline","","","","","","","","","","","","","","","","","","","","J3.505.595I","","CCC1=CC=CC=C1NP(=O)(OCC)OCC","RLTYRKUJFXHARM-UHFFFAOYSA-N","392286",NA,"PDBC42390","692420","Present"
-"N-Dimethylacroyl loline","","","","","","","","","","","","","","","","","","","","N-Dimethylacroyl loline","","CC(=CC(=O)N(C)C1C2CN3C1C(O2)CC3)C","WBDAQNRRLRMPDN-UHFFFAOYSA-N","361062",NA,"PDBC42391","623836","Present"
-"N-Dodecyl-10-methyl-1,4,8,12-tetrazacyclopentadecan-10-amine","","","","","","","","","","","","","","","","","","","","N-Dodecyl-10-methyl-1,4,8,12-tetrazacyclopentadecan-10-amine","","CCCCCCCCCCCCNC1(CNCCCNCCNCCCNC1)C","CULLETOHXDCJIM-UHFFFAOYSA-N","373079",NA,"PDBC42392","648999","Present"
-"N-Dodecyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]dodecanamide","","","","","","","","","","","","","","","","","","","","N-Dodecyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]dodecanamide","","CCCCCCCCCCCCN(CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C(=O)CCCCCCCCCCC","UZXDROKVWRIOSG-UHFFFAOYSA-N","389650",NA,"PDBC42393","685992","Present"
-"N-Dodecyl-N-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","G9SUZ33DVO","","CCCCCCCCCCCCN(C(=O)C1=CC=CC=C1)O","KQDMTFAQBVMWDP-UHFFFAOYSA-N","325612",NA,"PDBC42394","294608","Present"
-"N-Ethyl 7alpha,2',4',5'-tetraoxacyclohexane)-3'-spiro-1''-(4''-methyl)cyclohexane","","","","","","","","","","","","","","","","","","","","NSC720303///NSC720306","","CCNC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC(CC6)C)OO5)C)OC(=O)C)OC(=O)C)C","LFYVETSPEPPKAU-KMGDBKJZSA-N","404161",NA,"PDBC42395","720303///720306","Present"
-"N-Ethyl-2-(1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-Ethyl-2-(1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide","","CCNC(=O)C(C)C1CCC2(C=CC(=O)C(=C2C1O)C)C","VIVAYDMPIRHVDB-UHFFFAOYSA-N","360731",NA,"PDBC42396","623070","Present"
-"N-Ethyl-2-(3,4,5-trimethoxyphenyl)-3-(4-methoxyphenyl)acrylamide","","","","","","","","","","","","","","","","","","","","(E)N-Ethyl-[3-(4-methoxyphenyl)-2-(3,4,5-trimethoxypheny...","","CCNC(=O)C(=CC1=CC=C(C=C1)OC)C2=CC(=C(C(=C2)OC)OC)OC","OKJGGWPYSHLZSO-GZTJUZNOSA-N","5388754",NA,"PDBC42397","638409","Present"
-"N-Ethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-Ethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide","","CCNC(=O)C1=CC(=NC2=CC=CC=C21)C=CC3=CC=C(O3)[N+](=O)[O-]","HPHHUQLTSBTFCK-BQYQJAHWSA-N","5471900",NA,"PDBC42398","715224","Present"
-"N-Ethyl-2H-triazolo[4,5-d]pyrimidin-7-amine","","","","","","","","","","","","","","","","","","","","N-Ethyl-2H-triazolo[4,5-d]pyrimidin-7-amine","","CCNC1=NC=NC2=NNN=C21","PEVIHCHBEIZCAG-UHFFFAOYSA-N","6411289",NA,"PDBC42399","40439","Present"
-"N-Ethyl-4,4-dimethyl-2-(3-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-amine","","","","","","","","","","","","","","","","","","","","N-Ethyl-4,4-dimethyl-2-(3-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-amine","","CCNC1(C2=CC=CC3=C2C(=CC=C3)C(O1)(C)C)C4=CC=CC(=C4)C","RIDRBCLMWKJHJX-UHFFFAOYSA-N","403563",NA,"PDBC42400","718587","Present"
-"N-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide","","","","","","","","","","","","","","","","","","","","STK834482","","CCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O","UYDZAQUMTHQJCC-UHFFFAOYSA-N","54680440",NA,"PDBC42401","675971","Present"
-"N-Ethyl-4-methyl-N-[(E)-(2-oxo-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-ylidene)amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Ethyl-4-methyl-N-[(E)-(2-oxo-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-ylidene)amino]benzenesulfonamide","","CCN(N=C1CC2CN(CC=C2)C(=O)CC3=C1NC4=CC=CC=C34)S(=O)(=O)C5=CC=C(C=C5)C","SHXWWHSGFHUFOE-ZZIIXHQDSA-N","135483969",NA,"PDBC42402","646971","Present"
-"N-Ethyl-5-(1-(ethylamino)-1-methylethyl)-2-methyl-2-cyclohexen-1-amine","","","","","","","","","","","","","","","","","","","","N-Ethyl-5-[1-(ethylamino)-1-methyl-ethyl]-2-methyl-cyclohex-2-en-1-amine","","CCNC1CC(CC=C1C)C(C)(C)NCC","KGDIPINWNMVFFO-UHFFFAOYSA-N","375999",NA,"PDBC42403","656379","Present"
-"N-Ethyl-5-[2-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-Ethyl-5-[2-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine","","CCNC1=NN=C(S1)C2=CC=CC=C2NC3=CC=CC=C3C4=NN=C(S4)NCC","KJMMXUHDSKUPQW-UHFFFAOYSA-N","394756",NA,"PDBC42404","698459","Present"
-"N-Ethyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate","","","","","","","","","","","","","","","","","","","","N-Ethyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate","","","","",NA,"PDBC42405","650976","Present"
-"N-Ethyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-Ethyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride","","CCNC(=O)CCCCC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C.Cl","GPKDMHSWICGABC-MASIZSFYSA-N","135958532",NA,"PDBC42406","746824","Present"
-"N-Ethyl-9H-fluoren-2-amine","","","","","","","","","","","","","","","","","","","","N-Ethyl-9H-fluoren-2-amine","","CCNC1=CC2=C(C=C1)C3=CC=CC=C3C2","BGRBCWMKCOLIOE-UHFFFAOYSA-N","224046",NA,"PDBC42407","12288","Present"
-"N-Ethyl-N,N-dimethyl-2-[2-(4-octylphenoxy)ethoxy]ethan-1-aminium dodecane-1-sulfonate","","","","","","","","","","","","","","","","","","","","N-Ethyl-N,N-dimethyl-2-[2-(4-octylphenoxy)ethoxy]ethan-1-aminium dodecane-1-sulfonate","","CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCC1=CC=C(C=C1)OCCOCC[N+](C)(C)CC","RYWSGLQSGYKTBQ-UHFFFAOYSA-M","24181516",NA,"PDBC42408","9667","Present"
-"N-Ethyl-N-(13-oxo-12-azadispiro[4.1.4^{7}.2^{5}]tridecan-6-yl)nitrous amide","","","","","","","","","","","","","","","","","","","","N-Ethyl-N-(13-oxo-12-azadispiro[4.1.4^{7}.2^{5}]tridecan-6-yl)nitrous amide","","CCN(C1C2(CCCC2)C(=O)NC13CCCC3)N=O","SRIXUQUJKSKVQI-UHFFFAOYSA-N","363332",NA,"PDBC42409","628189","Present"
-"N-Ethyl-N-[[1-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]ethanamine","","","","","","","","","","","","","","","","","","","","N-Ethyl-N-[[1-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]ethanamine","","CCN(CC)CC1=C(N2C3=CC=CC=C3N=C2S1)C4=CC=C(C=C4)OC","LLCYMTBWUXUDBI-UHFFFAOYSA-N","397923",NA,"PDBC42410","706979","Present"
-"N-Ethyl-N-phenylethanimidamide","","","","","","","","","","","","","","","","","","","","N-ethyl-N-phenyl-acetamidine","","CCN(C1=CC=CC=C1)C(=N)C","LHHGNFDTLLPZPI-UHFFFAOYSA-N","367602",NA,"PDBC42411","637434","Present"
-"N-Fluoranthen-2-ylacetamide","","","","","","","","","","","","","","","","","","","","N-Fluoranthen-2-ylacetamide","","CC(=O)NC1=CC2=C3C(=C1)C=CC=C3C4=CC=CC=C42","DCGVCFDUNWGKEI-UHFFFAOYSA-N","255622",NA,"PDBC42412","81303","Present"
-"N-Formyl-3-oxobutanamide","","","","","","","","","","","","","","","","","","","","N-Formyl-3-oxobutanamide","","CC(=O)CC(=O)NC=O","AZKOSEJTNMVHTF-UHFFFAOYSA-N","365127",NA,"PDBC42413","632227","Present"
-"N-Formylcarbazole","","","","","","","","","","","","","","","","","","","","N-Formylcarbazole","","C1=CC=C2C(=C1)C3=CC=CC=C3N2C=O","WIJUWUXVANGIPQ-UHFFFAOYSA-N","148300",NA,"PDBC42414","655057","Present"
-"N-Formyldemecolcine","","","","","","","","","","","","","","","","","","","","n-deacetyl-n-formyl-n-methylcolchicine","","CN(C=O)C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","HTWMEJLBEVTMMZ-INIZCTEOSA-N","26819",NA,"PDBC42415","315260","Present"
-"N-Furo[3,2-c]quinolin-4-yl-N',N'-dimethylethane-1,2-diamine","","","","","","","","","","","","","","","","","","","","N-Furo[3,2-c]quinolin-4-yl-N',N'-dimethylethane-1,2-diamine","","CN(C)CCNC1=NC2=CC=CC=C2C3=C1C=CO3","DJWLRJIKGSTTKK-UHFFFAOYSA-N","24203909",NA,"PDBC42416","730139","Present"
-"N-Hexadecyl-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine","","","","","","","","","","","","","","","","","","","","N-Hexadecyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-17-amine","","CCCCCCCCCCCCCCCCNC1=CC2=C(C=C1)OCCOCCOCCOCCO2","CZAYIPBFNWGWGE-UHFFFAOYSA-N","376529",NA,"PDBC42417","657488","Present"
-"N-Hexadecyl-2-hydroxy-4-(4-methylphenyl)-4-oxo-2-butenamide","","","","","","","","","","","","","","","","","","","","(Z)-N-Hexadecyl-2-hydroxy-4-oxo-4-(p-tolyl)but-2-enamide","","CCCCCCCCCCCCCCCCNC(=O)C(=O)C=C(C1=CC=C(C=C1)C)O","STDBIHPAQHXYTN-LVWGJNHUSA-N","5465795",NA,"PDBC42418","662437","Present"
-"N-Hexadecylnaphthalen-1-amine","","","","","","","","","","","","","","","","","","","","Hexadecylamine, N-1-naphthyl-","","CCCCCCCCCCCCCCCCNC1=CC=CC2=CC=CC=C21","GFXJOXPGAICPDQ-UHFFFAOYSA-N","238007",NA,"PDBC42419","42125","Present"
-"N-Hexanoyl-N'-(1H-tetraazol-5-yl)thiourea","","","","","","","","","","","","","","","","","","","","N-Hexanoyl-N'-(1H-tetraazol-5-yl)thiourea","","CCCCCC(=O)NC(=S)NC1=NNN=N1","FDKQZWANWYSEPO-UHFFFAOYSA-N","3004523",NA,"PDBC42420","658263","Present"
-"N-Hexyl-2-(1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-Hexyl-2-(1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide","","CCCCCCNC(=O)C(C)C1CCC2(C=CC(=O)C(=C2C1O)C)C","QRFOFKQJMULZHJ-UHFFFAOYSA-N","360736",NA,"PDBC42421","623075","Present"
-"N-Hexyl-5-(2,5-dihydroxybenzylamino)-2-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","5-[(2,5-dihydroxyphenyl)methylamino]-{N}-hexyl-2-hydroxy...","","CCCCCCNC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)O)O)O","MFNPKZBKWKGSLK-UHFFFAOYSA-N","10406106",NA,"PDBC42422","798525","Present"
-"N-Hydroxy-2-((2-((2-(hydroxyamino)-2-iminoethyl)thio)ethyl)thio)ethanimidamide","","","","","","","","","","","","","","","","","","","","N-Hydroxy-2-((2-((2-(hydroxyamino)-2-iminoethyl)thio)ethyl)thio)ethanimidamide","","C(CSCC(=NO)N)SCC(=NO)N","ONJJEVFJJWXNPM-UHFFFAOYSA-N","9571433",NA,"PDBC42423","660418","Present"
-"N-Hydroxy-2-(1,3,4-thiadiazol-2-ylamino)acetamide","","","","","","","","","","","","","","","","","","","","N-(1,3,4-thiadiazol-2-yl)-glycinohydroxamic acid","","C1=NN=C(S1)NCC(=O)NO","KTBNMHODVFGJNL-UHFFFAOYSA-N","366891",NA,"PDBC42424","635951","Present"
-"N-Hydroxy-2-(4-methylphenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboximidamide","","","","","","","","","","","","","","","","","","","","N-Hydroxy-2-(4-methylphenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboximidamide","","CC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=NO)N","KYELMGOGLTXDJH-UHFFFAOYSA-N","9571410",NA,"PDBC42425","653511","Present"
-"N-Hydroxy-2-methoxybenzamide","","","","","","","","","","","","","","","","","","","","N-Hydroxy-2-methoxybenzamide","","COC1=CC=CC=C1C(=O)NO","DGUKREATIVIORF-UHFFFAOYSA-N","388178",NA,"PDBC42426","682743","Present"
-"N-Hydroxy-3-(isopropylthio)-1,2,4-triazine-5-carboximidamide","","","","","","","","","","","","","","","","","","","","N-Hydroxy-3-(isopropylthio)-1,2,4-triazine-5-carboximidamide","","CC(C)SC1=NC(=CN=N1)C(=NO)N","FVWYMKCBEAGGGB-UHFFFAOYSA-N","135484741",NA,"PDBC42427","701732","Present"
-"N-Hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-Hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide","","COCCN1C2=CC=CC=C2N=C1NC3=CC=C(C=C3)C(=O)NO","NETRZYYYLKYBFU-UHFFFAOYSA-N","49831244",NA,"PDBC42428","751166","Present"
-"N-Hydroxy-4-[[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-hydroxy-4-((3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydroq...","","COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C(=O)NO","FJQFVYUHPDSGEB-UHFFFAOYSA-N","150172046",NA,"PDBC42429","787282","Present"
-"N-Hydroxy-4-oxochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-Hydroxy-4-oxochromene-3-carboxamide","","C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)NO","GOMPBCAIKGIQAK-UHFFFAOYSA-N","357326",NA,"PDBC42430","615576","Present"
-"N-Hydroxy-7-(9-methoxy-6,11-dioxoindeno[1,2-c]quinolin-5-yl)heptanamide","","","","","","","","","","","","","","","","","","","","N-hydroxy-7-(9-methoxy-6,11-dioxo-6,11-dihydro-5H-indeno...","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N(C3=O)CCCCCCC(=O)NO","SZXGEFJTMRNBAN-UHFFFAOYSA-N","155816846",NA,"PDBC42431","781405","Present"
-"N-Hydroxy-L-Canavanine","","","","","","","","","","","","","","","","","","","","N-Hydroxy-L-Canavanine","","C(CONC(=NO)N)C(C(=O)O)N.C(=O)(C(F)(F)F)O","RGAMOWGGIYASRR-UHFFFAOYSA-N","24206031",NA,"PDBC42432","737741","Present"
-"N-Hydroxy-N,2-dimethylpropanethioamide","","","","","","","","","","","","","","","","","","","","N-Hydroxy-N,2-dimethylpropanethioamide","","CC(C)C(=S)N(C)O","XAVPCFLVHKSRGK-UHFFFAOYSA-N","371714",NA,"PDBC42433","646162","Present"
-"N-Hydroxy-N-[(1R)-3beta-(6-amino-9H-purine-9-yl)cyclopentane-1beta-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(1R,3S)-3-(6-Aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide","","CC(=O)N(C1CCC(C1)N2C=NC3=C(N=CN=C32)N)O","RFRSQFDNWNEJPX-DTWKUNHWSA-N","395998",NA,"PDBC42434","701170","Present"
-"N-Hydroxy-N-methyl-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-Mpaha","","CN(C(=O)CC1=CC=CC=C1)O","ZFOUTGXGIQLWIT-UHFFFAOYSA-N","194437",NA,"PDBC42435","646163","Present"
-"N-Hydroxy-N-methylbenzamide","","","","","","","","","","","","","","","","","","","","DDSSLJHUWRMSSP-UHFFFAOYSA-N","","CN(C(=O)C1=CC=CC=C1)O","DDSSLJHUWRMSSP-UHFFFAOYSA-N","371715",NA,"PDBC42436","646164","Present"
-"N-Hydroxy-N-methylbenzenecarbothioamide","","","","","","","","","","","","","","","","","","","","N-Hydroxy-N-methylbenzenecarbothioamide","","CN(C(=S)C1=CC=CC=C1)O","YUPPELVWCBEYPQ-UHFFFAOYSA-N","371711",NA,"PDBC42437","646159","Present"
-"N-Hydroxy-N-methylethanimidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC646177","","CC(=N)N(C)O.Cl","CZWAXHUOLIYZRG-UHFFFAOYSA-N","371731",NA,"PDBC42438","646177","Present"
-"N-Hydroxy-N-methylpropanethioamide","","","","","","","","","","","","","","","","","","","","Propanethioamide, N-hydroxy-N-methyl-","","CCC(=S)N(C)O","RUWZSNZMQDRXIR-UHFFFAOYSA-N","371713",NA,"PDBC42439","646161","Present"
-"N-Hydroxy-N-propan-2-ylbenzenecarboximidamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC624723","","CC(C)N(C(=N)C1=CC=CC=C1)O.Cl","COJWMMKVPZJJEC-UHFFFAOYSA-N","361544",NA,"PDBC42440","624723","Present"
-"N-Hydroxyethylaminomethylformamide","","","","","","","","","","","","","","","","","","","","N-Hydroxyethylaminomethylformamide","","C(CO)NCNC=O","PYAUJHYBRZTYIA-UHFFFAOYSA-N","384885",NA,"PDBC42441","675560","Present"
-"N-Hydroxyethylpiperazinoacetyl-partricin A dimethylaminoethylamide","","","","","","","","","","","","","","","","","","","","N-hydroxyethylpiperazinoacetyl-partricin A dimethylamino...","","CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN5CCN(CC5)CCO)O","LWUPNPHIYBKDFV-XJGHSNDRSA-N","5472915",NA,"PDBC42442","722658","Present"
-"N-Hydroxymethyl myristamide","","","","","","","","","","","","","","","","","","","","N-Hydroxymethyl myristamide","","CCCCCCCCCCCCCC(=O)NCO","DOYNOQOFAMHNEH-UHFFFAOYSA-N","362878",NA,"PDBC42443","627350","Present"
-"N-Hydroxynaphthalimide","","","","","","","","","","","","","","","","","","","","n-hydroxynaphthalimide","","C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)O","KTWCUGUUDHJVIH-UHFFFAOYSA-N","82263",NA,"PDBC42444","108691","Present"
-"N-Hydroxytetradecanamide","","","","","","","","","","","","","","","","","","","","Myristoyl hydroxamate","","CCCCCCCCCCCCCC(=O)NO","XHKBEIYZVFBVAM-UHFFFAOYSA-N","366134",NA,"PDBC42445","634458","Present"
-"N-Isobutyl-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Isobutyl-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)acetamide","","CC(C)CNC(=O)CN1C2=C(CCCC2)C3=CC=CC=C31","CPZQLIRXJJZHRV-UHFFFAOYSA-N","381583",NA,"PDBC42446","668374","Present"
-"N-Isobutyl-2-(2-phenyl-1H-indol-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","LS-82096","","CC(C)CNC(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3","UZAUBYOACBZTEI-UHFFFAOYSA-N","381973",NA,"PDBC42447","669283","Present"
-"N-Isobutyl-6-(4-methoxyphenyl)-2-hexen-4-ynamide","","","","","","","","","","","","","","","","","","","","N-Isobutyl-6-(4-methoxyphenyl)-2-hexen-4-ynamide","","CC(C)CNC(=O)C=CC#CCC1=CC=C(C=C1)OC","VZUQSPWNQZCGLI-SOFGYWHQSA-N","5467348",NA,"PDBC42448","650974","Present"
-"N-Isobutyrylguanosine","","","","","","","","","","","","","","","","","","","","NSC637541","","CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O","OXTYJSXVUGJSGM-UHFFFAOYSA-N","135468302",NA,"PDBC42449","637541","Present"
-"N-Isopentenyladenosine","","","","","","","","","","","","","","","","","","","","riboprine(usan)","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C","USVMJSALORZVDV-UHFFFAOYSA-N","266767",NA,"PDBC42450","105546","Present"
-"N-Isopropyl-2-(4-isopropyl-phenyl)-N-[3-(1-pyridin-2-yl-ethyl)-1H-inden-2-ylmethyl]-propionamide","","","","","","","","","","","","","","","","","","","","N-Isopropyl-2-(4-isopropyl-phenyl)-N-[3-(1-pyridin-2-yl-...","","CC(C)C1=CC=C(C=C1)C(C)C(=O)N(CC2=C(C3=CC=CC=C3C2)C(C)C4=CC=CC=N4)C(C)C","COQMASJCNVIULY-UHFFFAOYSA-N","60148330",NA,"PDBC42451","754147","Present"
-"N-Isopropyl-6-(methylthio)-1,2-[1,3]butadieno-3,5,7,10,10a-pentaaza-4-thiabenzo[f]azulene-8-amine","","","","","","","","","","","","","","","","","","","","5-Methylsulfanyl-N-propan-2-yl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine","","CC(C)NC1=C2C=NN3C4=CC=CC=C4N=C3SC2=NC(=N1)SC","SOEYDQZQKFYYRB-UHFFFAOYSA-N","399937",NA,"PDBC42452","711089","Present"
-"N-Isopropyl-N'-phenyl-p-phenylenediamine","","","","","","","","","","","","","","","","","","","","s-ip","","CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2","OUBMGJOQLXMSNT-UHFFFAOYSA-N","7573",NA,"PDBC42453","41029","Present"
-"N-Mesityl-3-(trifluoromethyl)benzenesulfinamide","","","","","","","","","","","","","","","","","","","","N-Mesityl-3-(trifluoromethyl)benzenesulfinamide","","CC1=CC(=C(C(=C1)C)NS(=O)C2=CC=CC(=C2)C(F)(F)F)C","BMPSLHMGSNNHRY-UHFFFAOYSA-N","375381",NA,"PDBC42454","655052","Present"
-"N-Methoxy-1-(3,4,5-trimethoxyphenyl)methanimine","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxybenzaldehyde O-methyloxime","","COC1=CC(=CC(=C1OC)OC)C=NOC","NUVWFJYZGTWHQS-KPKJPENVSA-N","9571350",NA,"PDBC42455","647360","Present"
-"N-Methoxy-N-methyloxolane-2-carboxamide","","","","","","","","","","","","","","","","","","","","DA-40665","","CN(C(=O)C1CCCO1)OC","GNVRFBMUQOGBRH-UHFFFAOYSA-N","393385",NA,"PDBC42456","695218","Present"
-"N-Methoxyacetamide","","","","","","","","","","","","","","","","","","","","N-Methoxyacetamide","","CC(=O)NOC","SOZXKDHEWJXRKV-UHFFFAOYSA-N","138591",NA,"PDBC42457","609817","Present"
-"N-Methyl laudanosinium iodide","","","","","","","","","","","","","","","","","","","","n-methyl laudanosinium iodide","","C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)C.[I-]","SANXPMGEBDLSJX-UHFFFAOYSA-M","11271970",NA,"PDBC42458","98541","Present"
-"N-Methyl(1-naphthyl)-N-(1-naphthylmethyl)methanamine","","","","","","","","","","","","","","","","","","","","ACN-034504","","CN(CC1=CC=CC2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43","ZDYZHECSPYIYSS-UHFFFAOYSA-N","223156",NA,"PDBC42459","10424","Present"
-"N-Methyl-1,5-bis(4-cyanophenoxy)-3-aza-pentane","","","","","","","","","","","","","","","","","","","","N-methyl-1,5-bis(4-cyanophenoxy)-3-aza-pentane","","CN(CCOC1=CC=C(C=C1)C#N)CCOC2=CC=C(C=C2)C#N","DECQHPXHXYDZIQ-UHFFFAOYSA-N","45028719",NA,"PDBC42460","743907","Present"
-"N-Methyl-1-[(acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Methyl-1-[(acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxamide","","CC(=O)N(CN1C(CCC1=O)C(=O)NC)C2=CC=CC=C2","FHXMPJHPBMAALP-UHFFFAOYSA-N","389185",NA,"PDBC42461","684869","Present"
-"N-Methyl-1-[[1-[(2,3-dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-amine","","","","","","","","","","","","","","","","","","","","3-[[4-[(4-Methylaminopyrazolo[5,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol","","CNC1=C2C=NN(C2=NC=N1)CC3=CN(N=N3)COCC(CO)O","JDCZHTDQHYAHFZ-UHFFFAOYSA-N","398132",NA,"PDBC42462","707559","Present"
-"N-Methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide","","","","","","","","","","","","","","","","","","","","NSC646174","","C[N+](=C(C1=CC=CC=C1)SC)[O-].I","FXGDTQFBQPKEKR-KVVVOXFISA-N","5466974",NA,"PDBC42463","646174","Present"
-"N-Methyl-1-methylsulfanylpropan-1-imine oxide;hydroiodide","","","","","","","","","","","","","","","","","","","","NSC646176","","CCC(=[N+](C)[O-])SC.I","LLFLZJTUXAVODM-YSMBQZINSA-N","13716574",NA,"PDBC42464","646176","Present"
-"N-Methyl-1H-imidazo[4,5-d]pyridazin-4-amine","","","","","","","","","","","","","","","","","","","","N-Methyl-1H-imidazo[4,5-d]pyridazin-4-amine","","CNC1=C2C(=CN=N1)NC=N2","BNGFPYLLQCQZQF-UHFFFAOYSA-N","5469586",NA,"PDBC42465","690570","Present"
-"N-Methyl-2,4-dinitro-N-[(E)-2-thienylmethyleneamino]aniline","","","","","","","","","","","","","","","","","","","","N-Methyl-2,4-dinitro-N-[(E)-2-thienylmethyleneamino]aniline","","CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=CS2","HWPIJNKSDKAVKJ-MDWZMJQESA-N","9555935",NA,"PDBC42466","658007","Present"
-"N-Methyl-2,4-dinitro-N-[(E)-4-quinolylmethyleneamino]aniline","","","","","","","","","","","","","","","","","","","","N-Methyl-2,4-dinitro-N-[(E)-4-quinolylmethyleneamino]aniline","","CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=NC3=CC=CC=C23","YYNFVWDJRITFOT-YBFXNURJSA-N","9555805",NA,"PDBC42467","630681","Present"
-"N-Methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine","","","","","","","","","","","","","","","","","","","","N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine","","CCCC(CC1CCCC(N1C)CC(CC)O)O","BXDMRIPPLXNONS-CBBWQLFWSA-N","398123",NA,"PDBC42468","707546","Present"
-"N-Methyl-2-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)benzamide;chloride","","","","","","","","","","","","","","","","","","","","2-Methyl-1-{2-[(methylamino)carbonyl]phenyl}-3-oxo-2,3-dihydrobenzo[d]isothiazol-1-ium chloride","","CNC(=O)C1=CC=CC=C1[S+]2C3=CC=CC=C3C(=O)N2C.[Cl-]","LZVQSIALUADTFU-UHFFFAOYSA-N","397816",NA,"PDBC42469","706392","Present"
-"N-Methyl-2-(3-methyl-4-oxo-2-thionia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)benzamide;chloride","","","","","","","","","","","","","","","","","","","","N-Methyl-2-(3-methyl-4-oxo-2-thionia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)benzamide;chloride","","CNC(=O)C1=CC=CC=C1[S+]2C3=CC=CC4=C3C(=CC=C4)C(=O)N2C.[Cl-]","ANOVRIBULLZDHV-UHFFFAOYSA-N","397819",NA,"PDBC42470","706394","Present"
-"N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide","","","","","","","","","","","","","","","","","","","","N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide","","CNC(=O)CN1CC(=O)N(C(=O)C1)C","KFDAHTSXWOSQHC-UHFFFAOYSA-N","373589",NA,"PDBC42471","650042","Present"
-"N-Methyl-2-(4-methylene-3-oxa-1-azaspiro[4.5]dec-1-en-2-yl)aniline","","","","","","","","","","","","","","","","","","","","N-Methyl-2-(4-methylene-3-oxa-1-azaspiro[4.5]dec-1-en-2-yl)aniline","","CNC1=CC=CC=C1C2=NC3(CCCCC3)C(=C)O2","HYFDNBRHYSSQGB-UHFFFAOYSA-N","377506",NA,"PDBC42472","658991","Present"
-"N-Methyl-2-[5-(3,4,5-trimethoxyphenyl)pyrido[3,4-c][1,9]phenanthrolin-12-yl]oxyethanamine","","","","","","","","","","","","","","","","","","","","6-(N-Methyl-2-aminoethoxy)-11-(3,4,5-trimethoxyphenyl)py...","","CNCCOC1=NC2=C3C=NC=CC3=CC(=C2C4=C1C=NC=C4)C5=CC(=C(C(=C5)OC)OC)OC","QOWMPMYLRAWRMR-UHFFFAOYSA-N","155806130",NA,"PDBC42473","798823","Present"
-"N-Methyl-2-nitro-5-hydroxymethylimidazolyl methylcarbonate","","","","","","","","","","","","","","","","","","","","N-methyl-2-nitro-5-hydroxymethylimidazolyl methylcarbonate","","CNC(=O)OCC1=CN=C(N1C)[N+](=O)[O-]","XRSCTFILGIZFCW-UHFFFAOYSA-N","384841",NA,"PDBC42474","675359","Present"
-"N-Methyl-2-nitro-N-p-tolyl-benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Methyl-2-nitro-N-p-tolyl-benzenesulfonamide","","CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","KOXMAUXVIHRQAH-UHFFFAOYSA-N","383161",NA,"PDBC42475","671274","Present"
-"N-Methyl-2-nitro-N-phenylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","STK099736","","CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","HMMKUMATMNDVHN-UHFFFAOYSA-N","383159",NA,"PDBC42476","671272","Present"
-"N-Methyl-3,4-diphenyl-N-(propylcarbamoyl)-3H-diazete-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Methyl-3,4-diphenyl-N-(propylcarbamoyl)-3H-diazete-2-carboxamide","","CCCNC(=O)N(C)C(=O)N1C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3","GONNRUTYCLLGEZ-UHFFFAOYSA-N","391629",NA,"PDBC42477","691115","Present"
-"N-Methyl-3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-Methyl-3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide","","CNC(=O)C1CCC2=NN=C(N12)C3=CC=CC=C3","ZYLKEMXXIHSPJZ-UHFFFAOYSA-N","366805",NA,"PDBC42478","635577","Present"
-"N-Methyl-3-piperidyl phenylcyclopentylglycolate hydrochloride","","","","","","","","","","","","","","","","","","","","benzeneacetic acid, .alpha.-cyclopentyl-.alpha.-hydroxy-...","","CN1CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl","YQOTZDDWSJUZCB-UHFFFAOYSA-N","24194749",NA,"PDBC42479","172247","Present"
-"N-Methyl-4-(5-methyl-1,3-benzoxazol-2-yl)aniline","","","","","","","","","","","","","","","","","","","","N-Methyl-4-(5-methyl-1,3-benzoxazol-2-yl)aniline","","CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC","HAPZOPZONJFLJA-UHFFFAOYSA-N","401585",NA,"PDBC42480","715280","Present"
-"N-Methyl-4-(quinolin-5-yldiazenyl)aniline","","","","","","","","","","","","","","","","","","","","N-Methyl-4-[(E)-quinolin-5-yldiazenyl]aniline","","CNC1=CC=C(C=C1)N=NC2=CC=CC3=C2C=CC=N3","LJGFJKWOMPUOBR-UHFFFAOYSA-N","261763",NA,"PDBC42481","94703","Present"
-"N-Methyl-4-[(4-methylphenyl)sulfanylmethyl]aniline","","","","","","","","","","","","","","","","","","","","N-Methyl-4-[(4-methylphenyl)sulfanylmethyl]aniline","","CC1=CC=C(C=C1)SCC2=CC=C(C=C2)NC","FNGCRYAMOUMXPF-UHFFFAOYSA-N","259517",NA,"PDBC42482","89488","Present"
-"N-Methyl-4-[[2-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-methyl-4-((2-(3-(4-(morpholinomethyl)-3-(trifluorometh...","","CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=C(C=C4)CN5CCOCC5)C(F)(F)F","FTEYGPYUYGUTHW-UHFFFAOYSA-N","142736776",NA,"PDBC42483","781170","Present"
-"N-Methyl-4-nitro-N-[(E)-8-quinolylmethyleneamino]aniline","","","","","","","","","","","","","","","","","","","","N-Methyl-4-nitro-N-[(E)-8-quinolylmethyleneamino]aniline","","CN(C1=CC=C(C=C1)[N+](=O)[O-])N=CC2=CC=CC3=C2N=CC=C3","FZIRYANKUWCWTD-XDHOZWIPSA-N","9555796",NA,"PDBC42484","629871","Present"
-"N-Methyl-4-nitro-N-phenylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","STK062466","","CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","RAECVXWPFBWHOJ-UHFFFAOYSA-N","383160",NA,"PDBC42485","671273","Present"
-"N-Methyl-4-nitrobenzanilide","","","","","","","","","","","","","","","","","","","","N-Methyl-4-nitrobenzanilide","","CN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]","MVDGHRIRJFXONZ-UHFFFAOYSA-N","265160",NA,"PDBC42486","100989","Present"
-"N-Methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-triazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-Methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-triazole-4-carboxamide","","CNC(=O)C1=NNN=C1SC2=C(N=CN2C)[N+](=O)[O-]","QWHWLFDTKTVITF-UHFFFAOYSA-N","389968",NA,"PDBC42487","686670","Present"
-"N-Methyl-5-(methylthio)-N-phenyl-2-thioxo-1,3-dithiole-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-Methyl-5-(methylthio)-N-phenyl-2-thioxo-1,3-dithiole-4-carboxamide","","CN(C1=CC=CC=C1)C(=O)C2=C(SC(=S)S2)SC","ZGIWUXOGFIXWFI-UHFFFAOYSA-N","376206",NA,"PDBC42488","656744","Present"
-"N-Methyl-5-[8-[5-(methylamino)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-Methyl-5-[8-[5-(methylamino)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-amine","","CNC1=NN=C(O1)CCCCCCCCC2=NN=C(O2)NC","OAJANXSNPYVORD-UHFFFAOYSA-N","394068",NA,"PDBC42489","697186","Present"
-"N-Methyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate","","","","","","","","","","","","","","","","","","","","N-Methyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate","","","","",NA,"PDBC42490","650975","Present"
-"N-Methyl-6-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","NSC799917///NSC801798///NSC803404","","CNC1=CC(=NC2=C1C=C(C=C2)N3CCCC3)C4=CC(=CC=C4)OC(F)(F)F","WPWUOJWDZBZUCT-UHFFFAOYSA-N","155809570",NA,"PDBC42491","799917///801798///803404","Present"
-"N-Methyl-N'-(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)-N,N'-diphenylurea","","","","","","","","","","","","","","","","","","","","N-Methyl-N'-(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)-N,N'-diphenylurea","","CC1CCSC(=N1)N(C2=CC=CC=C2)C(=O)N(C)C3=CC=CC=C3","SXXAUDGOZGWCAA-UHFFFAOYSA-N","371463",NA,"PDBC42492","645736","Present"
-"N-Methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-Methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide","","CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=CC=C1","CWSXNSRRXCMBID-UHFFFAOYSA-N","370399",NA,"PDBC42493","643498","Present"
-"N-Methyl-N'-(methylsulfamoyl)naphthalene-2-sulfonohydrazide","","","","","","","","","","","","","","","","","","","","N-Methyl-N'-(methylsulfamoyl)naphthalene-2-sulfonohydrazide","","CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1","PTHCNCINJBCZSO-UHFFFAOYSA-N","370400",NA,"PDBC42494","643499","Present"
-"N-Methyl-N,N-bis(2-(4-((4-methylphenyl)sulfonyl)-1-piperazinyl)ethyl)amine","","","","","","","","","","","","","","","","","","","","N-Methyl-N,N-bis(2-(4-((4-methylphenyl)sulfonyl)-1-piperazinyl)ethyl)amine","","CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN(C)CCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C","CJGDENRFUJLWPJ-UHFFFAOYSA-N","387901",NA,"PDBC42495","682132","Present"
-"N-Methyl-N-((3-oxo-3-phenylpropanoyl)oxy)-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-((3-oxo-3-phenylpropanoyl)oxy)-2-phenylacetamide","","CN(C(=O)CC1=CC=CC=C1)OC(=O)CC(=O)C2=CC=CC=C2","LDEAWIUWCSRBBX-UHFFFAOYSA-N","371721",NA,"PDBC42496","646170","Present"
-"N-Methyl-N-((3-oxo-3-phenylpropanoyl)oxy)acetamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-((3-oxo-3-phenylpropanoyl)oxy)acetamide","","CC(=O)N(C)OC(=O)CC(=O)C1=CC=CC=C1","AQWDGONVMIYPJF-UHFFFAOYSA-N","371718",NA,"PDBC42497","646167","Present"
-"N-Methyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide","","CN(C(=O)C1=CC=CS1)C(=S)N2CCN(CC2)C3=CC=CC=N3","NPWQYMIYZLJZDI-UHFFFAOYSA-N","376062",NA,"PDBC42498","656461","Present"
-"N-Methyl-N-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)-4-(2,6-trimethylcyclohex-1-enyl)butan-2-amine dioxalate","","","","","","","","","","","","","","","","","","","","N-methyl-N-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)-4-(2,6...","","CC1=C(C(CCC1)(C)C)CCC(C)N(C)CC2=CC=C(C=C2)OCCCN3CCCC3.C(=O)(C(=O)O)O","FPVIBLUXSGOIKG-UHFFFAOYSA-N","54609096",NA,"PDBC42499","17652","Present"
-"N-Methyl-N-(4-(4-(methyl(methylsulfonyl)amino)benzoyl)phenyl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-(4-(4-(methyl(methylsulfonyl)amino)benzoyl)phenyl)methanesulfonamide","","CN(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C)S(=O)(=O)C","FCKGZRVIHQYHGA-UHFFFAOYSA-N","366056",NA,"PDBC42500","634231","Present"
-"N-Methyl-N-(4-methylphenyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-(4-methylphenyl)benzenesulfonamide","","CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2","NACTVLATIFTYCO-UHFFFAOYSA-N","383176",NA,"PDBC42501","671289","Present"
-"N-Methyl-N-(4-methylpiperazine-1-carbothioyl)furan-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-(4-methylpiperazine-1-carbothioyl)furan-2-carboxamide","","CN1CCN(CC1)C(=S)N(C)C(=O)C2=CC=CO2","MEQPONJSLVFPEY-UHFFFAOYSA-N","376045",NA,"PDBC42502","656444","Present"
-"N-Methyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide","","CN1CCN(CC1)C(=S)N(C)C(=O)C2=CC=CS2","UFMOXFXWZUWZBD-UHFFFAOYSA-N","376044",NA,"PDBC42503","656443","Present"
-"N-Methyl-N-(4-oxocycloheptyl)benzamide","","","","","","","","","","","","","","","","","","","","N-Benzoyl physoperuvine","","CN(C1CCCC(=O)CC1)C(=O)C2=CC=CC=C2","YSVIQIOQISDMHJ-UHFFFAOYSA-N","433867",NA,"PDBC42504","339138","Present"
-"N-Methyl-N-(4-phenylpiperazine-1-carbothioyl)furan-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-(4-phenylpiperazine-1-carbothioyl)furan-2-carboxamide","","CN(C(=O)C1=CC=CO1)C(=S)N2CCN(CC2)C3=CC=CC=C3","COTRWEKTJLXBKS-UHFFFAOYSA-N","376054",NA,"PDBC42505","656453","Present"
-"N-Methyl-N-(4-phenylpiperazine-1-carbothioyl)thiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-(4-phenylpiperazine-1-carbothioyl)thiophene-2-carboxamide","","CN(C(=O)C1=CC=CS1)C(=S)N2CCN(CC2)C3=CC=CC=C3","JMBURIJFBJPPFF-UHFFFAOYSA-N","376053",NA,"PDBC42506","656452","Present"
-"N-Methyl-N-(5,6,7,8-tetrahydroquinazoline-2-yl)glycine","","","","","","","","","","","","","","","","","","","","2-(Methyl-(5,6,7,8-tetrahydroquinazolin-2-yl)amino)acetic acid","","CN(CC(=O)O)C1=NC=C2CCCCC2=N1","UONCHHPFDJPYQK-UHFFFAOYSA-N","390578",NA,"PDBC42507","688101","Present"
-"N-Methyl-N-(5,6-dihydrobenzo[h]quinazoline-2-yl)glycine","","","","","","","","","","","","","","","","","","","","2-(5,6-Dihydrobenzo[h]quinazolin-2-yl-methyl-amino)acetic acid","","CN(CC(=O)O)C1=NC=C2CCC3=CC=CC=C3C2=N1","OYMVIROINUYRPS-UHFFFAOYSA-N","390577",NA,"PDBC42508","688100","Present"
-"N-Methyl-N-(5,6-dihydroquinazoline-2-yl)glycine","","","","","","","","","","","","","","","","","","","","2-(5,6-Dihydroquinazolin-2-yl-methyl-amino)acetic acid","","CN(CC(=O)O)C1=NC=C2CCC=CC2=N1","VAJPRSDWCRWYEN-UHFFFAOYSA-N","390579",NA,"PDBC42509","688102","Present"
-"N-Methyl-N-(5-nitro-1-oxido-quinolin-1-ium-6-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-(5-nitro-1-oxido-quinolin-1-ium-6-yl)acetamide","","CC(=O)N(C)C1=C(C2=C(C=C1)[N+](=CC=C2)[O-])[N+](=O)[O-]","ZLACEXCSOPOXPP-UHFFFAOYSA-N","494961",NA,"PDBC42510","639642","Present"
-"N-Methyl-N-(5-phenyl-5H-[1]benzopyrano[4,3-d]pyrimidine-2-yl)glycine","","","","","","","","","","","","","","","","","","","","2-[Methyl-(5-phenyl-5H-chromeno[4,3-d]pyrimidin-2-yl)amino]acetic acid","","CN(CC(=O)O)C1=NC=C2C(OC3=CC=CC=C3C2=N1)C4=CC=CC=C4","LSORZFJWEWYKSW-UHFFFAOYSA-N","390585",NA,"PDBC42511","688108","Present"
-"N-Methyl-N-(5H-[1]benzothiopyrano[4,3-d]pyrimidine-2-yl)glycine","","","","","","","","","","","","","","","","","","","","2-(Methyl-(5h-thiochromeno[4,3-d]pyrimidin-2-yl)amino)acetic acid","","CN(CC(=O)O)C1=NC=C2CSC3=CC=CC=C3C2=N1","JTKPQFIJOSZJCA-UHFFFAOYSA-N","390576",NA,"PDBC42512","688099","Present"
-"N-Methyl-N-[(E)-quinolin-4-ylmethylideneamino]aniline","","","","","","","","","","","","","","","","","","","","NSC629869","","CN(C1=CC=CC=C1)N=CC2=CC=NC3=CC=CC=C23","LFUFYHZBAHFGSW-UYRXBGFRSA-N","6179003",NA,"PDBC42513","629869","Present"
-"N-Methyl-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl)-4-(2-nitroimidazol-1H-yl)butylamine N-oxide hydrochloride","","","","","","","","","","","","","","","","","","","","N-methyl-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl)-4-(...","","CC1=NC=C(N1CC[N+](C)(CCCCN2C=CN=C2[N+](=O)[O-])[O-])[N+](=O)[O-].[Cl-]","VWTJGBDJPBAQER-UHFFFAOYSA-M","54608581",NA,"PDBC42514","664151","Present"
-"N-Methyl-N-[4-[[2-methyl-2H-1,2,3-triazolo[4,5-f]quinolin-9-yl]amino]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-[4-[[2-methyl-2H-1,2,3-triazolo[4,5-f]quinolin-9-yl]amino]phenyl]acetamide","","CC(=O)N(C)C1=CC=C(C=C1)NC2=C3C(=NC=C2)C=CC4=NN(N=C43)C","BRYVWPYPQUQEBP-UHFFFAOYSA-N","380470",NA,"PDBC42515","666066","Present"
-"N-Methyl-N-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]methanamine","","","","","","","","","","","","","","","","","","","","N-Methyl-N-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]methanamine","","CC1=C(C(=NN1)C(F)(F)F)N=NN(C)C","KLDRDWKGWGISSV-UHFFFAOYSA-N","275985",NA,"PDBC42516","123147","Present"
-"N-Methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-amine","","","","","","","","","","","","","","","","","","","","N-Methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-amine","","CN(C1=CC=CC=C1)C2=C3C4=CC=CC=C4NC3=NC5=CC=CC=C52","NONZZZCPMXETAB-UHFFFAOYSA-N","24203280",NA,"PDBC42517","727482","Present"
-"N-Methyl-N-phenylbenzenecarboximidamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-phenylbenzenecarboximidamide","","CN(C1=CC=CC=C1)C(=N)C2=CC=CC=C2","BKJFKLRVGOPJDG-UHFFFAOYSA-N","361538",NA,"PDBC42518","624719","Present"
-"N-Methyl-N-phenylpyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","ARONIS010475","","CN(C1=CC=CC=C1)C(=O)C2=CC=NC=C2","IFYISVHCTQWKJB-UHFFFAOYSA-N","307181",NA,"PDBC42519","204976","Present"
-"N-Methyl-S,S-diphenylsulfoximine","","","","","","","","","","","","","","","","","","","","N-Methyl-S,S-diphenylsulfoximine","","CN=S(=O)(C1=CC=CC=C1)C2=CC=CC=C2","ICURXVAHBJXJLT-UHFFFAOYSA-N","374284",NA,"PDBC42520","651803","Present"
-"N-Methyl-bis,3'-(2-nitroimidazol-1H-yl)propylamine","","","","","","","","","","","","","","","","","","","","N-Methyl-bis,3,3'-(2-nitroimidazol-1H-yl)propylamine","","CN(CCCN1C=CN=C1[N+](=O)[O-])CCCN2C=CN=C2[N+](=O)[O-].OS(=O)(=O)O","LDAHQHKGMVXFPE-UHFFFAOYSA-N","379960",NA,"PDBC42521","665155","Present"
-"N-Methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(2-ben zylthio-4-chloro-5-methylbenzenesulfonyl)-guanidine","","","","","","","","","","","","","","","","","","","","N-methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(2...","","CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C(NNC)N=CC3=CC=C(S3)[N+](=O)[O-]","UGQREAFUSDFXAN-WYMPLXKRSA-N","9572730",NA,"PDBC42522","724904","Present"
-"N-Methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(4-chl oro-2-ethoxycarbonyl-methylthio-5-methylbenzenesulfonyl)guan idine","","","","","","","","","","","","","","","","","","","","N-Methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(4...","","CCOC(=O)CSC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)N=C(NNC)N=CC2=CC=C(S2)[N+](=O)[O-]","DBHLRJKBRWFPKN-ZVBGSRNCSA-N","11785930",NA,"PDBC42523","726723","Present"
-"N-Methylen-(methoxycarbonyl)-7alpha,2',4',5'-tetraoxacyclo hexane)-3'spirocyclohexane","","","","","","","","","","","","","","","","","","","","N-methylen-(methoxycarbonyl)-7.alpha.,12.alpha.-diacetox...","","CC(CCC(=O)NCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","LAZMWWKUMGPAOG-AEWJLTDLSA-N","404154",NA,"PDBC42524","720294","Present"
-"N-Methylformamide","","","","","","","","","","","","","","","","","","","","METHYLFORMAMIDE","","CNC=O","ATHHXGZTWNVVOU-UHFFFAOYSA-N","31254",NA,"PDBC42525","3051","Present"
-"N-Methyliminodiacetic acid","","","","","","","","","","","","","","","","","","","","mida","","CN(CC(=O)O)CC(=O)O","XWSGEVNYFYKXCP-UHFFFAOYSA-N","20441",NA,"PDBC42526","11773","Present"
-"N-Methylpiperazinoacetyl-partricin A dimethylaminoethylamide","","","","","","","","","","","","","","","","","","","","N-methylpiperazinoacetyl-partricin A dimethylaminoethyla...","","CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN5CCN(CC5)C)O","QLRLSJWJNUKXJI-HFMJYASESA-N","5472916",NA,"PDBC42527","722659","Present"
-"N-Methylpiperazinyl amide of 7-methyl-3-phenyl-1-[2-hydroxy-3-(4-(2-pyrimidinyl)-1-pipera zinyl)propyl]-2,2,3,4-terahydropyrido[2,3-d]pyrimi dine-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","N-methylpiperazinyl amide of 7-methyl-3-phenyl-1-[2-hydr...","","CC1=CC(=C2C(=N1)N(C(=O)N(C2=O)C3=CC=CC=C3)CC(CN4CCN(CC4)C5=NC=CC=N5)O)C(=O)N6CCN(CC6)C","LQCRPBBMKBRUFK-UHFFFAOYSA-N","24206049",NA,"PDBC42528","737788","Present"
-"N-Methylthioacridone","","","","","","","","","","","","","","","","","","","","CKLXEMOWJOCGGZ-UHFFFAOYSA-N","","CN1C2=CC=CC=C2C(=S)C3=CC=CC=C31","CKLXEMOWJOCGGZ-UHFFFAOYSA-N","327442",NA,"PDBC42529","302575","Present"
-"N-Myristoyl glycinal diethylacetal","","","","","","","","","","","","","","","","","","","","N-Myristoyl glycinal diethylacetyl","","CCCCCCCCCCCCCC(=O)NCC(OCC)OCC","ODPWRMSNGMQQAL-UHFFFAOYSA-N","122090",NA,"PDBC42530","623914","Present"
-"N-N'-Bis[(2S,4-epoxy-2-(3-methoxy-5-methyl-1-naphthoyloxy)-3-methylbutanoyl]propane-1,3-diamine","","","","","","","","","","","","","","","","","","","","N-N'-Bis[(2S,3S)-3,4-epoxy-2-(3-methoxy-5-methyl-1- naph...","","CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)NCCCNC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC)C6(CO6)C)OC","NPHMZOIQEXPIQN-MXENJXIJSA-N","24204576",NA,"PDBC42531","732223","Present"
-"N-Naphthalen-2-ylpiperidine-1-sulfonamide","","","","","","","","","","","","","","","","","","","","N-Naphthalen-2-ylpiperidine-1-sulfonamide","","C1CCN(CC1)S(=O)(=O)NC2=CC3=CC=CC=C3C=C2","VJAJDDADDQYMMK-UHFFFAOYSA-N","224605",NA,"PDBC42532","13241","Present"
-"N-Nitro-3-ethyl-3-(nitrooxy)azetidine","","","","","","","","","","","","","","","","","","","","N-Nitro-3-ethyl-3-(nitrooxy)azetidine","","CCC1(CN(C1)[N+](=O)[O-])O[N+](=O)[O-]","YBNAPOXGHFUUGH-UHFFFAOYSA-N","385837",NA,"PDBC42533","677234","Present"
-"N-Nonanoyl loline","","","","","","","","","","","","","","","","","","","","N-Nonanoyl loline","","CCCCCCCCC(=O)N(C)C1C2CN3C1C(O2)CC3","PMHCOLWLJNQPMD-UHFFFAOYSA-N","361060",NA,"PDBC42534","623834","Present"
-"N-Nonyl-3,4-dihydroxycinnamide","","","","","","","","","","","","","","","","","","","","N-nonyl-3,4-dihydroxycinnamide","","CCCCCCCCCNC(=O)C=CC1=CC(=C(C=C1)O)O","BAIKPLYLOVAEGO-ZRDIBKRKSA-N","11551263",NA,"PDBC42535","734303","Present"
-"N-Nonyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]dodecanamide","","","","","","","","","","","","","","","","","","","","N-Nonyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]dodecanamide","","CCCCCCCCCCCC(=O)N(CCCCCCCCC)CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O","UGDXXKVRBAUASK-UHFFFAOYSA-N","389648",NA,"PDBC42536","685990","Present"
-"N-Nonyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]tetradecanamide","","","","","","","","","","","","","","","","","","","","N-Nonyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]tetradecanamide","","CCCCCCCCCCCCCC(=O)N(CCCCCCCCC)CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O","ZIOMXJVMUJLTJP-UHFFFAOYSA-N","389649",NA,"PDBC42537","685991","Present"
-"N-Nonylnonan-1-amine--hydrogen bromide (1/1)","","","","","","","","","","","","","","","","","","","","N-Nonylnonan-1-amine;hydrobromide","","CCCCCCCCCNCCCCCCCCC.Br","KUMCQAWWBNEIRC-UHFFFAOYSA-N","24181211",NA,"PDBC42538","6813","Present"
-"N-Phenethyltriphenylacetamide","","","","","","","","","","","","","","","","","","","","N-Phenethyltriphenylacetamide","","C1=CC=C(C=C1)CCNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","SFKTYTKEYBNZLR-UHFFFAOYSA-N","11349856",NA,"PDBC42539","730690","Present"
-"N-Phenyl-2-(2-phenylvinyl)-1-naphthalenamine","","","","","","","","","","","","","","","","","","","","N-Phenyl-2-(2-phenylvinyl)-1-naphthalenamine","","C1=CC=C(C=C1)C=CC2=C(C3=CC=CC=C3C=C2)NC4=CC=CC=C4","IFRHMPNZNUXBHQ-FOCLMDBBSA-N","5387657",NA,"PDBC42540","625582","Present"
-"N-Phenyl-2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)ethanethioamide","","","","","","","","","","","","","","","","","","","","N-Phenyl-2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)ethanethioamide","","C1=CC=C(C=C1)NC(=S)C=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5","CSEXUSPPVBOWEZ-NCYFEJAWSA-N","5468533",NA,"PDBC42541","671368","Present"
-"N-Phenyl-2-(4-oxothiazolidine-2-ylidene)acetamide","","","","","","","","","","","","","","","","","","","","NSC637440","","C1C(=O)NC(=CC(=O)NC2=CC=CC=C2)S1","BBDQBDCUDIEPIZ-WDZFZDKYSA-N","6516716",NA,"PDBC42542","637440","Present"
-"N-Phenyl-2-(phenylimino)-2H-1,4-benzothiazin-3-amine","","","","","","","","","","","","","","","","","","","","N-Phenyl-2-(phenylimino)-2H-1,4-benzothiazin-3-amine","","C1=CC=C(C=C1)NC2=NC3=CC=CC=C3SC2=NC4=CC=CC=C4","ISCMDEIRBRBVTR-UHFFFAOYSA-N","383309",NA,"PDBC42543","671422","Present"
-"N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide","","C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=N2","JJHSYWHPMJELRP-UHFFFAOYSA-N","5380527",NA,"PDBC42544","98923","Present"
-"N-Phenyl-2-pyridinecarbothioamide","","","","","","","","","","","","","","","","","","","","thiopicolinanilide","","C1=CC=C(C=C1)NC(=S)C2=CC=CC=N2","HOMILEBHBIPJEZ-UHFFFAOYSA-N","759327",NA,"PDBC42545","45291","Present"
-"N-Phenyl-2-thioxo-1-imidazolidinecarbothioamide","","","","","","","","","","","","","","","","","","","","N-Phenyl-2-thioxo-1-imidazolidinecarbothioamide","","C1CN(C(=S)N1)C(=S)NC2=CC=CC=C2","NDCHBIWASCMKRO-UHFFFAOYSA-N","3005452",NA,"PDBC42546","704173","Present"
-"N-Phenyl-2-thioxo-1-imidazolidinecarboxamide","","","","","","","","","","","","","","","","","","","","N-Phenyl-2-thioxo-1-imidazolidinecarboxamide","","C1CN(C(=S)N1)C(=O)NC2=CC=CC=C2","WIACBJJIIPFHJK-UHFFFAOYSA-N","3005454",NA,"PDBC42547","704175","Present"
-"N-Phenyl-3,4-trichlorobut-3-enamide","","","","","","","","","","","","","","","","","","","","N-phenyl-3,4,4-trichlorobut-3-enamide","","C1=CC=C(C=C1)NC(=O)CC(=C(Cl)Cl)Cl","KWLWWHKGDSOEHJ-UHFFFAOYSA-N","405834",NA,"PDBC42548","723520","Present"
-"N-Phenyl-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-amine","","","","","","","","","","","","","","","","","","","","(Z)-N-phenyl-3-(3,4,5-trimethoxystyryl)pyridin-2-amine","","COC1=CC(=CC(=C1OC)OC)C=CC2=C(N=CC=C2)NC3=CC=CC=C3","CMNSTKGQSDKOAD-QXMHVHEDSA-N","155808312",NA,"PDBC42549","761393","Present"
-"N-Phenyl-4-[(1Z,4Z,9Z,15Z)-10,15,20-tris[4-(phenylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Phenyl-4-[10,15,20-tris[4-(phenylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide","","C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=C(C=C8)S(=O)(=O)NC9=CC=CC=C9)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1)C=C5)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1)N4","OYXDAAHXOLWHHI-UHFFFAOYSA-N","16129816",NA,"PDBC42550","681456","Present"
-"N-Phenyl-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide","","","","","","","","","","","","","","","","","","","","N-Phenyl-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide","","C1CCN(CC1)CC2=CC=C(S2)C(=S)NC3=CC=CC=C3","QQLZARPXTMEXSR-UHFFFAOYSA-N","5471263",NA,"PDBC42551","710020","Present"
-"N-Phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-furamide","","","","","","","","","","","","","","","","","","","","N-Phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-furamide","","C1CN(CCN1C2=CC=CC=N2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CO4","HMQRTXSLXIFJAB-UHFFFAOYSA-N","376069",NA,"PDBC42552","656468","Present"
-"N-Phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide","","","","","","","","","","","","","","","","","","","","N-Phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide","","C1CN(CCN1C2=CC=CC=N2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CS4","BSGNAACRENBMGR-UHFFFAOYSA-N","376068",NA,"PDBC42553","656467","Present"
-"N-Phenyl-N-((4-phenyl-1-piperazinyl)carbothioyl)-2-furamide","","","","","","","","","","","","","","","","","","","","N-Phenyl-N-((4-phenyl-1-piperazinyl)carbothioyl)-2-furamide","","C1CN(CCN1C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CO4","KQACBVYEFJNKBG-UHFFFAOYSA-N","376060",NA,"PDBC42554","656459","Present"
-"N-Phenyl-N-(3,4,5-trimethoxybenzoyl)piperidine-1-carboxamide","","","","","","","","","","","","","","","","","","","","VU0502245-1","","COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=O)N3CCCCC3","VLLDDPRJCDKLOP-UHFFFAOYSA-N","395681",NA,"PDBC42555","700465","Present"
-"N-Phenyl-N-(4-phenylpiperazine-1-carbothioyl)thiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","AO-476/43305923","","C1CN(CCN1C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CS4","GHOMTOKRYXRAQH-UHFFFAOYSA-N","376059",NA,"PDBC42556","656458","Present"
-"N-Phenyl-N-(thiophene-2-carbonyl)piperidine-1-carboxamide","","","","","","","","","","","","","","","","","","","","F2843-0140","","C1CCN(CC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=CC=CS3","UVOZQWBNNOMDKK-UHFFFAOYSA-N","391218",NA,"PDBC42557","690115","Present"
-"N-Phenyliminodiacetic acid","","","","","","","","","","","","","","","","","","","","Acetic acid,1-phenyliminodi-","","C1=CC=C(C=C1)N(CC(=O)O)CC(=O)O","GQBWTAGIANQVGB-UHFFFAOYSA-N","136915",NA,"PDBC42558","105534","Present"
-"N-Phthaloyl-Phe-OH","","","","","","","","","","","","","","","","","","","","N-Phthaloyl-Phe-OH","","C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O","VAYRSTHMTWUHGE-UHFFFAOYSA-N","227754",NA,"PDBC42559","19760","Present"
-"N-Prolylemetine","","","","","","","","","","","","","","","","","","","","n-prolylemetine","","CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)C6CCCN6)OC)OC)OC)OC","AWSZAKCFFVUULY-UHFFFAOYSA-N","266122",NA,"PDBC42560","103247","Present"
-"N-Propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","papp","","CCCNC1=NC=NC2=C1C=NN2","MWZWHCLVRKJORL-UHFFFAOYSA-N","221086",NA,"PDBC42561","4928","Present"
-"N-Propyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-Propyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide","","CCCNC(=O)CN1C2=C(CCCC2)C3=CC=CC=C31","VMDGPBIDBHYYIW-UHFFFAOYSA-N","381582",NA,"PDBC42562","668373","Present"
-"N-Pyren-1-ylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-Pyren-1-ylbenzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2","HYVGZKMKDJGPNL-UHFFFAOYSA-N","331581",NA,"PDBC42563","325268","Present"
-"N-Succinimidyl-6-(4'-azido-2'-nitrophenylamino)hexanoate","","","","","","","","","","","","","","","","","","","","SANPAH","","C1CC(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-]","NGXDNMNOQDVTRL-UHFFFAOYSA-N","3035550",NA,"PDBC42564","340005","Present"
-"N-Tert-Butyl-3-(3,3-dimethyltriazeno)-p-toluamide","","","","","","","","","","","","","","","","","","","","LS-153977","","CC1=C(C=C(C=C1)C(=O)NC(C)(C)C)N=NN(C)C","YKBQWHVGBNVUCO-UHFFFAOYSA-N","374082",NA,"PDBC42565","651342","Present"
-"N-Tert-butyl-1-(4-ethylsulfanyl-5-methyl-2,3-dihydropyrrol-1-yl)methanimine","","","","","","","","","","","","","","","","","","","","N-Tert-butyl-1-(4-ethylsulfanyl-5-methyl-2,3-dihydropyrrol-1-yl)methanimine","","CCSC1=C(N(CC1)C=NC(C)(C)C)C","SBWWBOQWXPHKEN-UHFFFAOYSA-N","370808",NA,"PDBC42566","644330","Present"
-"N-Tert-butyl-2-(cubane-1-carbonyl)-N-methyl-cubane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-Tert-butyl-2-(cubane-1-carbonyl)-N-methyl-cubane-1-carboxamide","","CC(C)(C)N(C)C(=O)C12C3C4C1C5C4C3C25C(=O)C67C8C9C6C1C9C8C71","KNSWQKCIZCNLFC-UHFFFAOYSA-N","369209",NA,"PDBC42567","640915","Present"
-"N-Tert-butyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine","","","","","","","","","","","","","","","","","","","","N-Tert-butyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine","","CC(C)(C)NC1C2=CN=C(N=C2C3=CC=CC=C3O1)SC","TVEWDVMIOOEXGH-UHFFFAOYSA-N","403280",NA,"PDBC42568","717975","Present"
-"N-Tert-butyl-3,4-diphenyl-3H-diazete-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-Tert-butyl-3,4-diphenyl-3H-diazete-2-carboxamide","","CC(C)(C)NC(=O)N1C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3","TYTIDWTYCZLJAJ-UHFFFAOYSA-N","391903",NA,"PDBC42569","691584","Present"
-"N-Tert-butyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-Tert-butyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride","","CC1=C(NC(=C1C(=O)CCCCC(=O)NC(C)(C)C)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","DPLHMZMFUDOTRJ-UXTSPRGOSA-N","135958528",NA,"PDBC42570","746821","Present"
-"N-Tert-butyl-N,2-dimethyl-4-(4-methylcubane-1-carbonyl)cubane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-Tert-butyl-N,2-dimethyl-4-(4-methylcubane-1-carbonyl)cubane-1-carboxamide","","CC12C3C4C1C5C2C3C45C(=O)C67C8C9C6C1(C7C8C91C(=O)N(C)C(C)(C)C)C","MVEPNNJIZFXFLP-UHFFFAOYSA-N","373489",NA,"PDBC42571","649896","Present"
-"N-Tert-butyl-N-hydroxypropanamide","","","","","","","","","","","","","","","","","","","","N-(Tert-Butyl)-N-hydroxypropanamide","","CCC(=O)N(C(C)(C)C)O","AVHOCNYIQRIQSN-UHFFFAOYSA-N","371717",NA,"PDBC42572","646166","Present"
-"N-Thioformylpiperidine","","","","","","","","","","","","","","","","","","","","N-Thioformylpiperidine","","C1CCN(CC1)C=S","HXYGTCQCDHEVBB-UHFFFAOYSA-N","355711",NA,"PDBC42573","609816","Present"
-"N-Tosyl-L-phenylalanyl chloromethyl ketone","","","","","","","","","","","","","","","","","","","","TPCK","","CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)CCl","MQUQNUAYKLCRME-INIZCTEOSA-N","439647",NA,"PDBC42574","727365","Present"
-"N-[(1,3-Dibromo-4-oxo-4,5,6,7-tetrahydrothieno[3,4-c]pyridin)-7-yl]-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-(1,3-Dibromo-4-oxo-6,7-dihydro-5H-thieno[3,4-c]pyridin-7-yl)-2,2,2-trifluoroacetamide","","C1C(C2=C(SC(=C2C(=O)N1)Br)Br)NC(=O)C(F)(F)F","HVJAGTNSWWOBPY-UHFFFAOYSA-N","396458",NA,"PDBC42575","702431","Present"
-"N-[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-N-methylacetamide","","","","","","","","","","","","","","","","","","","","N-[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-N-methylacetamide","","CC(=O)N(C)C=C1C(=O)N(C(=O)N(C1=O)C)C","VZHBQRQAWLXDDZ-UHFFFAOYSA-N","319882",NA,"PDBC42576","265533","Present"
-"N-[(17S)-12-Methoxy-21-methylsulfanyl-20-oxo-3,10-diazapentacyclo[12.10.0.02,11.04,9.018,24]tetracosa-1(14),2,4,6,8,10,12,18,21,23-decaen-17-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(17S)-12-Methoxy-21-methylsulfanyl-20-oxo-3,10-diazapentacyclo[12.10.0.02,11.04,9.018,24]tetracosa-1(14),2,4,6,8,10,12,18,21,23-decaen-17-yl]acetamide","","CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C4=NC5=CC=CC=C5N=C4C(=C2)OC","CADONKLZQMNOGF-SFHVURJKSA-N","395873",NA,"PDBC42577","700914","Present"
-"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine","","","","","","","","","","","","","","","","","","","","N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine","","CC1(C2CCC1(C(C2)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3)C)C","SWPVCZZNMDUWHQ-FBMGVBCBSA-N","5470198",NA,"PDBC42578","698377","Present"
-"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-3-methylaniline","","","","","","","","","","","","","","","","","","","","N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-3-methylaniline","","CC1=CC(=CC=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","KUCLKSBXUXTJAS-BMRADRMJSA-N","5470195",NA,"PDBC42579","698374","Present"
-"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-4-methylaniline","","","","","","","","","","","","","","","","","","","","N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-4-methylaniline","","CC1=CC=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","FYPAPDAUYCGJPT-BMRADRMJSA-N","5470194",NA,"PDBC42580","698373","Present"
-"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]aniline","","","","","","","","","","","","","","","","","","","","N-[(1E)-1-(1H-1,2,3-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]aniline","","C1=CC=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","OCLTUCSDONCSGO-JQIJEIRASA-N","5470192",NA,"PDBC42581","698371","Present"
-"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]naphthalen-1-amine","","","","","","","","","","","","","","","","","","","","N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]naphthalen-1-amine","","C1=CC=C2C(=C1)C=CC=C2NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3","VSPXEVNUVMEORI-CZIZESTLSA-N","5470197",NA,"PDBC42582","698376","Present"
-"N-[(1E)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-2-methoxyaniline","","","","","","","","","","","","","","","","","","","","N-[(1E)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-2-methoxyaniline","","COC1=CC=CC=C1NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SCC2=CC=CC=C2","TXIWUDYFJSVMMI-FBMGVBCBSA-N","5470190",NA,"PDBC42583","698365","Present"
-"N-[(1E)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine","","","","","","","","","","","","","","","","","","","","N-[(1E)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine","","C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC3=C2N=CC=C3","YUVCABHDOCOMAT-CZIZESTLSA-N","5470189",NA,"PDBC42584","698363","Present"
-"N-[(1E)-3,4,4-Trichloro-2-nitro-1-(phenylthio)buta-1,3-dien-1-yl]quinolin-8-amine","","","","","","","","","","","","","","","","","","","","N-[(1E)-3,4,4-Trichloro-2-nitro-1-(phenylthio)buta-1,3-dien-1-yl]quinolin-8-amine","","C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC3=C2N=CC=C3","GSKGGZVXUKWQGF-HTXNQAPBSA-N","5470188",NA,"PDBC42585","698362","Present"
-"N-[(1E)-3,4,4-Trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]naphthalen-1-amine","","","","","","","","","","","","","","","","","","","","N-[(1E)-3,4,4-Trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]naphthalen-1-amine","","C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC3=CC=CC=C32","PFSXYRGYGJPBMO-CZIZESTLSA-N","5470199",NA,"PDBC42586","698378","Present"
-"N-[(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-2-nitro-4-piperidin-1-ylbuta-1,3-dienyl]-4-ethoxyaniline","","","","","","","","","","","","","","","","","","","","N-[(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-2-nitro-4-piperidin-1-ylbuta-1,3-dienyl]-4-ethoxyaniline","","CCOC1=CC=C(C=C1)NC(=C(C(=C(N2CCCCC2)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3","SQFCVJBUWDTNMH-DQPVQCHKSA-N","5470203",NA,"PDBC42587","698382","Present"
-"N-[(1R,3S)-3-(6-Aminopurin-9-yl)cyclopentyl]hydroxylamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(1R,3S)-3-(6-Aminopurin-9-yl)cyclopentyl]hydroxylamine;hydrochloride","","C1CC(CC1NO)N2C=NC3=C(N=CN=C32)N.Cl","YEMRLXCHTVQQKA-HHQFNNIRSA-N","395992",NA,"PDBC42588","701167","Present"
-"N-[(1R,4R)-3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(1R,4R)-3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-yl]acetamide","","CC(=O)NC12CCC(C1)C(C2=O)(C)C","PZVLQNSIZXMJGA-LDYMZIIASA-N","393603",NA,"PDBC42589","695797","Present"
-"N-[(1S)-1-(4-Fluorophenyl)-2-(4-methylphenyl)sulfanylethyl]-4-methoxyaniline","","","","","","","","","","","","","","","","","","","","N-[(1S)-1-(4-Fluorophenyl)-2-(4-methylphenyl)sulfanylethyl]-4-methoxyaniline","","CC1=CC=C(C=C1)SCC(C2=CC=C(C=C2)F)NC3=CC=C(C=C3)OC","JLODQHZVECBJCT-JOCHJYFZSA-N","397138",NA,"PDBC42590","704537","Present"
-"N-[(1S)-1-(4-Fluorophenyl)-2-(4-methylphenyl)sulfinylethyl]-4-methoxyaniline","","","","","","","","","","","","","","","","","","","","N-[(1S)-1-(4-Fluorophenyl)-2-(4-methylphenyl)sulfinylethyl]-4-methoxyaniline","","CC1=CC=C(C=C1)S(=O)CC(C2=CC=C(C=C2)F)NC3=CC=C(C=C3)OC","GBHLBMDMLCXEIW-XVPAFAEQSA-N","397137",NA,"PDBC42591","704536","Present"
-"N-[(1S)-1-[[(4-Methylphenyl)sulfinyl]methyl]-2,2,3,3,3-pentafluoropropyl]-4-methoxyaniline","","","","","","","","","","","","","","","","","","","","N-[(1S)-1-[[(4-Methylphenyl)sulfinyl]methyl]-2,2,3,3,3-pentafluoropropyl]-4-methoxyaniline","","CC1=CC=C(C=C1)S(=O)CC(C(C(F)(F)F)(F)F)NC2=CC=C(C=C2)OC","BPPDYHUPUMBTGN-DKEDTHNGSA-N","397136",NA,"PDBC42592","704535","Present"
-"N-[(1S,4R)-4-(6-Aminopurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(1S,4R)-4-(6-Aminopurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine;hydrochloride","","C1C(C=CC1N2C=NC3=C(N=CN=C32)N)NO.Cl","KIVDSSMCZDVCGP-HHQFNNIRSA-N","395994",NA,"PDBC42593","701168","Present"
-"N-[(1S,4R)-4-[6-(Cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]hydroxylamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(1S,4R)-4-[6-(Cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]hydroxylamine;hydrochloride","","C1CC1NC2=C3C(=NC=N2)N(C=N3)C4CC(C=C4)NO.Cl","ZYIYEYWOENFRLD-UXQCFNEQSA-N","396000",NA,"PDBC42594","701172","Present"
-"N-[(1Z)-1,2-Dichloro-5-(3,5-dimethylpyrazol-1-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-nitropenta-1,3-dienyl]-4-nitroaniline","","","","","","","","","","","","","","","","","","","","N-[(1Z)-1,2-Dichloro-5-(3,5-dimethylpyrazol-1-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-nitropenta-1,3-dienyl]-4-nitroaniline","","CC1=CC(=NN1CC(=C(C(=C(NC2=CC=C(C=C2)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-])CN3C(=CC(=N3)C)C)C","ZCRIECJIDMIEKT-LSDHQDQOSA-N","5471291",NA,"PDBC42595","710282","Present"
-"N-[(1Z)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine","","","","","","","","","","","","","","","","","","","","N-[(1Z)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine","","C1=CC=C2C(=C1)N=NN2C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4","JAJVJYMIXNOWCB-ZPHPHTNESA-N","5470193",NA,"PDBC42596","698372","Present"
-"N-[(1Z)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-2,4-dimethylaniline","","","","","","","","","","","","","","","","","","","","N-[(1Z)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-2,4-dimethylaniline","","CC1=CC(=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SCC2=CC=CC=C2)C","ZWXCBAJPUCPGOR-ZPHPHTNESA-N","5470210",NA,"PDBC42597","698393","Present"
-"N-[(1Z)-2-(5-Chloro-2-hydroxyphenyl)-1-azavinyl]-N'-[(1Z)-2-(5-chloro-2-hydrox yphenyl)-1-azavinyl]decane-1,10-diamide","","","","","","","","","","","","","","","","","","","","N,N'-Bis[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]decanediamide","","C1=CC(=C(C=C1Cl)C=NNC(=O)CCCCCCCCC(=O)NN=CC2=C(C=CC(=C2)Cl)O)O","BHAPPEFYHBANSQ-USYBVIFISA-N","135408550",NA,"PDBC42598","49490","Present"
-"N-[(2,4,5-Trimethylphenyl)carbamothioyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(2,4,5-Trimethylphenyl)carbamothioyl]benzamide","","CC1=CC(=C(C=C1C)NC(=S)NC(=O)C2=CC=CC=C2)C","RSEZAOSCSYFAMW-UHFFFAOYSA-N","2731106",NA,"PDBC42599","201485","Present"
-"N-[(2-Acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(2-Acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide","","CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42","KNKOOUJHJGHGGO-UHFFFAOYSA-N","398807",NA,"PDBC42600","708946","Present"
-"N-[(2-Hydroxy-1H-indol-3-yl)imino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-[(2-Hydroxy-1H-indol-3-yl)imino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide","","CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N=NC4=C(NC5=CC=CC=C54)O","UGSYOYZUPLXXIK-UHFFFAOYSA-N","403591",NA,"PDBC42601","718644","Present"
-"N-[(2-Methoxyphenyl)methyl]-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine","","","","","","","","","","","","","","","","","","","","N-[(2-Methoxyphenyl)methyl]-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine","","COC1=CC=CC=C1CN=C2NC3=C(C=NC=C3)S(=O)(=O)N2C4=CC=CC=C4","IGXHNLOBPCUPAV-UHFFFAOYSA-N","135416672",NA,"PDBC42602","704083","Present"
-"N-[(22S)-13-Methoxy-18-methylsulfanyl-19-oxo-4,11-diazapentacyclo[12.10.0.03,12.05,10.015,21]tetracosa-1,3,5,7,9,11,13,15,17,20-decaen-22-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(22S)-13-Methoxy-18-methylsulfanyl-19-oxo-4,11-diazapentacyclo[12.10.0.03,12.05,10.015,21]tetracosa-1,3,5,7,9,11,13,15,17,20-decaen-22-yl]acetamide","","CC(=O)NC1CCC2=CC3=NC4=CC=CC=C4N=C3C(=C2C5=CC=C(C(=O)C=C15)SC)OC","ISDVTNLHLWJWPY-SFHVURJKSA-N","395872",NA,"PDBC42603","700913","Present"
-"N-[(2R)-1-(Cycloheptylamino)-1-oxo-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]-6-(4-methylpiperazin-1-yl)hexanamide","","","","","","","","","","","","","","","","","","","","N-(1-(cycloheptylamino)-1-oxo-3-(((2E,6E)-3,7,11-trimeth...","","CC(=CCCC(=CCCC(=CCSCC(C(=O)NC1CCCCCC1)NC(=O)CCCCCN2CCN(CC2)C)C)C)C","HWYGVMQKDCYELS-NSYJICCHSA-N","90677462",NA,"PDBC42604","777125","Present"
-"N-[(2R)-1-(Cyclohexylamino)-1-oxo-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpropan-2-yl]-6-(4-methylpiperazin-1-yl)hexanamide","","","","","","","","","","","","","","","","","","","","N-(1-(cyclohexylamino)-1-oxo-3-(((2E,6E,10E)-3,7,11,15-t...","","CC(=CCCC(=CCCC(=CCCC(=CCSCC(C(=O)NC1CCCCC1)NC(=O)CCCCCN2CCN(CC2)C)C)C)C)C","QZJWAAWWHSLLFM-SWVUVYCOSA-N","155805295",NA,"PDBC42605","777126","Present"
-"N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-Butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-Butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3C=CCN3)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O.Cl","ABBVMZAEIWHSRL-FJSFOJABSA-N","393049",NA,"PDBC42606","694330","Present"
-"N-[(2R)-Octan-2-yl]furo[3,2-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-[(2R)-Octan-2-yl]furo[3,2-c]quinolin-4-amine","","CCCCCCC(C)NC1=NC2=CC=CC=C2C3=C1C=CO3","WVPYOFPSJXVRPA-CQSZACIVSA-N","24204692",NA,"PDBC42607","732496","Present"
-"N-[(2S)-2-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-4-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(2S)-2-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-4-yl]acetamide","","CC(=O)NC1=CC(OC1=O)C2COC(O2)(C)C","NNIZOYNYZLGLGQ-DTWKUNHWSA-N","6711386",NA,"PDBC42608","625264","Present"
-"N-[(2S)-3-Methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanimine","","","","","","","","","","","","","","","","","","","","N-[(2S)-3-Methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanimine","","CC(C)C(COC(C)(C)C)N=CN1CCC2=C(C1)NC3=CC=CC=C23","PRTXKXGAMROBIZ-HXUWFJFHSA-N","6711336",NA,"PDBC42609","619863","Present"
-"N-[(2S)-Octan-2-yl]furo[3,2-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-[(2S)-Octan-2-yl]furo[3,2-c]quinolin-4-amine","","CCCCCCC(C)NC1=NC2=CC=CC=C2C3=C1C=CO3","WVPYOFPSJXVRPA-AWEZNQCLSA-N","24204691",NA,"PDBC42610","732495","Present"
-"N-[(2Z)-3-(1H-Benzimidazol-2-yl)-2H-chromen-2-ylidene]-2,4-dichloroaniline","","","","","","","","","","","","","","","","","","","","N-[(2Z)-3-(1H-Benzimidazol-2-yl)-2H-chromen-2-ylidene]-2,4-dichloroaniline","","C1=CC=C2C(=C1)C=C(C(=NC3=C(C=C(C=C3)Cl)Cl)O2)C4=NC5=CC=CC=C5N4","GQHIAHYUXZUZOG-UHFFFAOYSA-N","400029",NA,"PDBC42611","711215","Present"
-"N-[(3,4-Dichlorophenyl)methyl]-3-[(3,4-dichlorophenyl)methylamino]quinoxaline-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(3,4-Dichlorophenyl)methyl]-3-[(3,4-dichlorophenyl)methylamino]quinoxaline-2-carboxamide","","C1=CC=C2C(=C1)N=C(C(=N2)NCC3=CC(=C(C=C3)Cl)Cl)C(=O)NCC4=CC(=C(C=C4)Cl)Cl","OESMNRPGZFUVDG-UHFFFAOYSA-N","387371",NA,"PDBC42612","681123","Present"
-"N-[(3-Chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N-ethylethanamine--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","N-[(3-Chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N-ethylethanamine;hydrochloride","","CCN(CC)CC1=CC2=C(C=C1OC)C3=CN=C4C=C(C=CC4=C3N2)Cl.Cl","LROSCMNTAAYPCW-UHFFFAOYSA-N","54601557",NA,"PDBC42613","352737","Present"
-"N-[(3-Chlorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine","","","","","","","","","","","","","","","","","","","","N-(3-chlorobenzyl)-3-amine-6,7-dimethoxy-1-methylisoquin...","","CC1=NC(=CC2=CC(=C(C=C12)OC)OC)NCC3=CC(=CC=C3)Cl","WZWGENJWVMDQMU-UHFFFAOYSA-N","155814799",NA,"PDBC42614","789210","Present"
-"N-[(3-Cyano-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)carbamothioyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(3-Cyano-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)carbamothioyl]benzamide","","C1CCC2=C(C1)C(=C(C(=N2)NC(=S)NC(=O)C3=CC=CC=C3)C#N)C4=CC=CC=C4","OETDQHXWKYUVDR-UHFFFAOYSA-N","3004991",NA,"PDBC42615","667072","Present"
-"N-[(3-Cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)carbamothioyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(3-Cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)carbamothioyl]benzamide","","C1CC2=C(C1)N=C(C(=C2C3=CC=CC=C3)C#N)NC(=S)NC(=O)C4=CC=CC=C4","QNVKOOVZGKZHCG-UHFFFAOYSA-N","3004993",NA,"PDBC42616","667074","Present"
-"N-[(3S)-2,8-Dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-[(3S)-2,8-Dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-2,2,2-trifluoroacetamide","","C1C(C(=O)OC12C=CC(=O)C=C2)NC(=O)C(F)(F)F","NSIRBHFKCPLJTA-ZETCQYMHSA-N","371585",NA,"PDBC42617","645977","Present"
-"N-[(3Z)-5-Anilino-4-chloro-3H-1,2-dithiol-3-ylidene]-4-methy lbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[(3Z)-5-Anilino-4-chloro-3H-1,2-dithiol-3-ylidene]-4-m...","","CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(SS2)NC3=CC=CC=C3)Cl","HKCYAYAJQBWBOV-MNDPQUGUSA-N","24203709",NA,"PDBC42618","729181","Present"
-"N-[(4,12-Diphenyl-5,8,11,13-tetraoxa-3-azatricyclo[7.4.0.02,6]tridec-3-en-7-yl)methyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(4,12-Diphenyl-5,8,11,13-tetraoxa-3-azatricyclo[7.4.0.02,6]tridec-3-en-7-yl)methyl]acetamide","","CC(=O)NCC1C2C(C3C(O1)COC(O3)C4=CC=CC=C4)N=C(O2)C5=CC=CC=C5","IJALMPVDHVOPOK-UHFFFAOYSA-N","389365",NA,"PDBC42619","685411","Present"
-"N-[(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methyl]hydroxylamine","","","","","","","","","","","","","","","","","","","","N-[(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methyl]hydroxylamine","","CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CNO)C","NYZLPOJPONCKGW-UHFFFAOYSA-N","358302",NA,"PDBC42620","618263","Present"
-"N-[(4-Bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(4-Bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide","","C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)Br","VIGFHHIGLOQFEF-UHFFFAOYSA-N","5472174",NA,"PDBC42621","716796","Present"
-"N-[(4-Bromophenyl)carbamothioyl]thianthrene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(4-Bromophenyl)carbamothioyl]thianthrene-2-carboxamide","","C1=CC=C2C(=C1)SC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)Br","QNBPITMKGWXNRK-UHFFFAOYSA-N","5472178",NA,"PDBC42622","716800","Present"
-"N-[(4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)(pyridin-4-yl)methyl]-2-chlorobenzamide","","","","","","","","","","","","","","","","","","","","Benzamide, N-[(4-dutyl-3,5-dioxo-1,2-diphenyl-4-pyrazoli...","","CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=NC=C4)NC(=O)C5=CC=CC=C5Cl","GDHHNUFJLVMECU-UHFFFAOYSA-N","363424",NA,"PDBC42623","628335","Present"
-"N-[(4-Chlorophenyl)methyl]octadecan-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC42169","","CCCCCCCCCCCCCCCCCCNCC1=CC=C(C=C1)Cl.Cl","BFHHMAXVADRPOE-UHFFFAOYSA-N","24185707",NA,"PDBC42624","42169","Present"
-"N-[(4-Chlorophenyl)sulfonyl]-N-methylglycine","","","","","","","","","","","","","","","","","","","","STK795176","","CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)Cl","BTJPZWSENGXSGK-UHFFFAOYSA-N","362744",NA,"PDBC42625","626999","Present"
-"N-[(4-Chlorophenyl)sulfonyl]-N-phenylglycine","","","","","","","","","","","","","","","","","","","","CBKinase1_002358","","C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl","JVERQDFUUGRBBY-UHFFFAOYSA-N","362836",NA,"PDBC42626","627207","Present"
-"N-[(4-Methoxy-2-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(4-Methoxy-2-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide","","COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)[N+](=O)[O-]","WQOBBGURQULTDJ-UHFFFAOYSA-N","5472173",NA,"PDBC42627","716795","Present"
-"N-[(4-Methoxyphenyl)sulfonyl]-N-phenylglycine","","","","","","","","","","","","","","","","","","","","STK327332","","COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2","RZEAXDAPFVNKTH-UHFFFAOYSA-N","362726",NA,"PDBC42628","626981","Present"
-"N-[(4-Methyl-5-phenyldiazenyl-2-imidazolylidene)amino]aniline","","","","","","","","","","","","","","","","","","","","Q27200951","","CC1=C(N=C(N1)N=NC2=CC=CC=C2)N=NC3=CC=CC=C3","JLRWIRBFDUKCMN-UHFFFAOYSA-N","237338",NA,"PDBC42629","40749","Present"
-"N-[(4-Methylphenyl)sulfonyl]-N-phenylglycine","","","","","","","","","","","","","","","","","","","","ALBB-029357","","CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2","IKRNEOSZRFEACP-UHFFFAOYSA-N","362727",NA,"PDBC42630","626982","Present"
-"N-[(4-Methylphenyl)sulfonyl]valine","","","","","","","","","","","","","","","","","","","","NSC33495","","CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)O","ZYFUNXTYNIYYJI-UHFFFAOYSA-N","285655",NA,"PDBC42631","33495","Present"
-"N-[(4-Nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(4-Nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide","","C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]","FABLLKBJEZGNJS-UHFFFAOYSA-N","5472176",NA,"PDBC42632","716798","Present"
-"N-[(4-Propan-2-ylphenyl)thiocarbamoyl]benzamide","","","","","","","","","","","","","","","","","","","","Bio7G3","","CC(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2","IILRYVSUBKKLAS-UHFFFAOYSA-N","708514",NA,"PDBC42633","201487","Present"
-"N-[(4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}phenyl)sulfonyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}phenyl)sulfonyl]acetamide","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl","RRUMSEVNNYUEFL-UHFFFAOYSA-N","391386",NA,"PDBC42634","690559","Present"
-"N-[(4S,6R)-3-Methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylprop-2-enamide","","","","","","","","","","","","","","","","","","","","N-((5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-5,6,7,8,9,14,...","","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C=C)OC","HAFDWUTUTAKIMQ-IDLUQQOTSA-N","155805851",NA,"PDBC42635","790650","Present"
-"N-[(4Z)-1,3-Dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-[(4Z)-1,3-Dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide","","C1C(C2=C(SC(=C2C1=NO)Br)Br)NC(=O)C(F)(F)F","BBWWRPCRJYGQGF-XFQLMFQHSA-N","5880315",NA,"PDBC42636","662126","Present"
-"N-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O","ZJYHIQWOXPZVSJ-UHFFFAOYSA-N","332467",NA,"PDBC42637","329287","Present"
-"N-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]pyridine-4-carboxamide","","C1=CN=CC=C1C(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O","UVDLUDNETRZPGP-UHFFFAOYSA-N","252103",NA,"PDBC42638","73302","Present"
-"N-[(5-Fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-[(5-Fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N=NC4=C(NC5=C4C=C(C=C5)F)O","UMESATNFXFMVGH-UHFFFAOYSA-N","403590",NA,"PDBC42639","718643","Present"
-"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-aminobenzamide","","","","","","","","","","","","","","","","","","","","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-aminobenzamide","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC(=CC=C6)N","JMRUILHDLBCBSY-DNKJSPPKSA-N","369910",NA,"PDBC42640","642277","Present"
-"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-cyanobenzamide","","","","","","","","","","","","","","","","","","","","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-cyanobenzamide","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=CC(=C6)C#N","KKXFGTXVRAMCKK-HIQAHLLCSA-N","369926",NA,"PDBC42641","642293","Present"
-"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-fluorobenzamide","","","","","","","","","","","","","","","","","","","","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-fluorobenzamide","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC(=CC=C6)F","UTCZLJDJSLLUIO-DNKJSPPKSA-N","369922",NA,"PDBC42642","642289","Present"
-"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-nitrobenzamide","","","","","","","","","","","","","","","","","","","","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-nitrobenzamide","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC(=CC=C6)[N+](=O)[O-]","TXUFJZLSFLNLSU-DNKJSPPKSA-N","369911",NA,"PDBC42643","642278","Present"
-"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-aminobenzamide","","","","","","","","","","","","","","","","","","","","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-aminobenzamide","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)N","HZBOAMGQGQJJAA-DNKJSPPKSA-N","369919",NA,"PDBC42644","642286","Present"
-"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-cyanobenzamide","","","","","","","","","","","","","","","","","","","","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-cyanobenzamide","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)C#N","LZPJPJMBGOLYGX-HIQAHLLCSA-N","369925",NA,"PDBC42645","642292","Present"
-"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-nitrobenzamide","","","","","","","","","","","","","","","","","","","","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-nitrobenzamide","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)[N+](=O)[O-]","ONMYWKWYJMFRDS-DNKJSPPKSA-N","369918",NA,"PDBC42646","642285","Present"
-"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=CC=C6","WPOBOJKDLZJNIU-DNKJSPPKSA-N","369921",NA,"PDBC42647","642288","Present"
-"N-[(6,7-Dimethoxy-2-(2-thienyl)-4-quinazolinyl]anthranilic acid hydrazide","","","","","","","","","","","","","","","","","","","","N-[(6,7-dimethoxy-2-(2-thienyl)-4-quinazolinyl]anthranil...","","COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NC4=CC=CC=C4C(=O)NN)OC","KRYYHTJLEYBHGE-UHFFFAOYSA-N","405782",NA,"PDBC42648","723425","Present"
-"N-[(6-Azabicyclo[4.4.0]dec-2-yl)methyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[(6-Azabicyclo[4.4.0]dec-2-yl)methyl]propanamide","","CCC(=O)NCC1CCCN2C1CCCC2","LDCQPTDRQJWLOD-UHFFFAOYSA-N","3958572",NA,"PDBC42649","685532","Present"
-"N-[(6-Bromo-2-(2-thienyl)-4-quinazolinyl] anthranilic acid hydrazide","","","","","","","","","","","","","","","","","","","","N-[(6-bromo-2-(2-thienyl)-4-quinazolinyl] anthranilic ac...","","C1=CC=C(C(=C1)C(=O)NN)NC2=NC(=NC3=C2C=C(C=C3)Br)C4=CC=CS4","LOXZYULBBHJXCI-UHFFFAOYSA-N","405781",NA,"PDBC42650","723424","Present"
-"N-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-6-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-6-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxa","","CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)CN5CCN(CC5)C6=CC=CC=N6","OBDZXACOQQCYKY-UHFFFAOYSA-N","45028435",NA,"PDBC42651","742849","Present"
-"N-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-6-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-6-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-ca","","CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)CN5CCN(CC5)C6=CC=C(C=C6)OC","OICPKBLHQDADSI-UHFFFAOYSA-N","45028433",NA,"PDBC42652","742847","Present"
-"N-[(6-Methoxynaphthalen-2-yl)methyl]-2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]ethoxy]ethoxy]ethanamine;hydrochloride","","","","","","","","","","","","","","","","","","","","2,11-Diaza-5,8-dioxadodecane, 1,12-bis(6-methoxy- 2-naph...","","COC1=CC2=C(C=C1)C=C(C=C2)CNCCOCCOCCNCC3=CC4=C(C=C3)C=C(C=C4)OC.Cl","GZCBAGOWAQOFFP-UHFFFAOYSA-N","393608",NA,"PDBC42653","695801","Present"
-"N-[(6-Methoxynaphthalen-2-yl)methyl]-3-[4-[3-[(6-methoxynaphthalen-2-yl)methylamino]propyl]piperazin-1-yl]propan-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(6-Methoxynaphthalen-2-yl)methyl]-3-[4-[3-[(6-methoxynaphthalen-2-yl)methylamino]propyl]piperazin-1-yl]propan-1-amine;hydrochloride","","COC1=CC2=C(C=C1)C=C(C=C2)CNCCCN3CCN(CC3)CCCNCC4=CC5=C(C=C4)C=C(C=C5)OC.Cl","CGVYVHAEOBBIDS-UHFFFAOYSA-N","385314",NA,"PDBC42654","676429","Present"
-"N-[(7S)-1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(7S)-1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O","UQUOBYNEJAGXLI-ZDUSSCGKSA-N","391373",NA,"PDBC42655","690430","Present"
-"N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-benzamide","","","","","","","","","","","","","","","","","","","","N-[(8-hydroxy-7-quinolinyl)(4-methylphenyl)methyl]benzamide","","CC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC(=O)C4=CC=CC=C4","KISDJXZVLXBGQQ-UHFFFAOYSA-N","2871966",NA,"PDBC42656","756783","Present"
-"N-[(Anilinothiocarbamoylamino)thiocarbamoyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Anilinothiocarbamoylamino)thiocarbamoyl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=S)NNC(=S)NNC2=CC=CC=C2","ZTFNMEHZZJOPIV-UHFFFAOYSA-N","5033540",NA,"PDBC42657","176373","Present"
-"N-[(Carbamothioylamino)carbamothioyl]furan-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-((2-(Aminocarbothioyl)hydrazino)carbothioyl)-2-furamide","","C1=COC(=C1)C(=O)NC(=S)NNC(=S)N","ISORUOJUQJDLRG-UHFFFAOYSA-N","3004916",NA,"PDBC42658","661806","Present"
-"N-[(Dimethylamino)methylene]-5-fluoro-2',3'-dideoxycytidine","","","","","","","","","","","","","","","","","","","","N-[(Dimethylamino)methylene]- 5-fluoro-2',3'-dideoxycyti...","","CN(C)C=NC1=NC(=O)N(C=C1F)C2CCC(O2)CO","LKKYOIXMDARFKF-UHFFFAOYSA-N","362118",NA,"PDBC42659","625648","Present"
-"N-[(E)-(1-Oxoaceanthrylen-2-ylidene)amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(1-Oxoaceanthrylen-2-ylidene)amino]benzamide","","C1=CC=C(C=C1)C(=O)NN=C2C3=CC=CC4=CC5=CC=CC=C5C(=C43)C2=O","BALPFFAJNOVRKR-DARPEHSRSA-N","9572075",NA,"PDBC42660","701027","Present"
-"N-[(E)-(2,2-Dimethyl-1-pyridin-2-ylpropylidene)amino]-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-(2,2-Dimethyl-1-pyridin-2-ylpropylidene)amino]-1H-benzimidazol-2-amine","","CC(C)(C)C(=NNC1=NC2=CC=CC=C2N1)C3=CC=CC=N3","UUOYSNOFLSCDPC-QNGOZBTKSA-N","9572554",NA,"PDBC42661","720192","Present"
-"N-[(E)-(2,4,5-Trichlorophenyl)methylideneamino]-3-[8-(trifluoromethyl)quinolin-4-yl]sulfanylpropanamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2,4,5-Trichlorophenyl)methylideneamino]-3-[8-(trifluoromethyl)quinolin-4-yl]sulfanylpropanamide","","C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)SCCC(=O)NN=CC3=CC(=C(C=C3Cl)Cl)Cl","QOZRMJUYGFRSMS-ORBVJSQLSA-N","45027949",NA,"PDBC42662","740245","Present"
-"N-[(E)-(2,4-Dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2,4-Dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]benzamide","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C=C(C=C2)Cl)Cl)NC3=CC=CC(=C3)C(F)(F)F","QOGZXFGZIUYRGJ-KKMKTNMSSA-N","45028836",NA,"PDBC42663","744614","Present"
-"N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","C1=CC(=CC(=C1)NC2=CC(=NC=C2)C(F)(F)F)C(=O)NN=CC3=C(C=C(C=C3)O)O","QKXGFHVVMOJLKW-OPEKNORGSA-N","135968269",NA,"PDBC42664","748262","Present"
-"N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","C1=CC(=CC=C1C(=O)NN=CC2=C(C=C(C=C2)O)O)NC3=CC(=NC=C3)C(F)(F)F","IZPIBPHWGNEGEW-OPEKNORGSA-N","135968275",NA,"PDBC42665","747461","Present"
-"N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-methoxy-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-methoxy-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","COC1=C(C=C(C=C1)C(=O)NN=CC2=C(C=C(C=C2)O)O)NC3=CC(=NC=C3)C(F)(F)F","XEOTYKXIKLPAEO-KBKYJPHKSA-N","135968271",NA,"PDBC42666","748264","Present"
-"N-[(E)-(2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl]pyridine-4-carbothioamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl]pyridine-4-carbothioamide","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC(=S)C3=CC=NC=C3)O","QBTWCFLHOPPBPM-UHFFFAOYSA-N","135409073",NA,"PDBC42667","657584","Present"
-"N-[(E)-(2,6-Dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2,6-Dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)NN=CC3=C(C=CC=C3Cl)Cl)C(F)(F)F","YGMCVGSFACWOCM-LUOAPIJWSA-N","46227858",NA,"PDBC42668","747455","Present"
-"N-[(E)-(2,6-Dichlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2,6-Dichlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=C(C=CC=C3Cl)Cl)C(F)(F)F","WGQLIYPOKPCGPV-WXMAUWIXSA-N","45029301",NA,"PDBC42669","746061","Present"
-"N-[(E)-(2-Chlorophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Chlorophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F)Cl","SXHNFWVAXVCJIT-RPPGKUMJSA-N","45028733",NA,"PDBC42670","743921","Present"
-"N-[(E)-(2-Cyclohexylcyclohexylidene)amino]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Cyclohexylcyclohexylidene)amino]quinolin-2-amine","","C1CCC(CC1)C2CCCCC2=NNC3=NC4=CC=CC=C4C=C3","DRTRHLQGQRLALF-BSYVCWPDSA-N","9573256",NA,"PDBC42671","118724","Present"
-"N-[(E)-(2-Hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","COC1=CC=CC(=C1O)C=NNC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F","TWOGBXFKOOVUMV-RPPGKUMJSA-N","135968234",NA,"PDBC42672","748670","Present"
-"N-[(E)-(2-Hydroxynaphthalen-1-yl)methylideneamino]pentanamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Hydroxynaphthalen-1-yl)methylideneamino]pentanamide","","CCCCC(=O)NN=CC1=C(C=CC2=CC=CC=C21)O","XJEORCBNVGOXTQ-GZTJUZNOSA-N","135509648",NA,"PDBC42673","110630","Present"
-"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide","","CC1=C(N2C(=N1)SC(=N2)C)C(=O)NN=CC3=CC=CC=C3O","NKCHLYWKXIADIE-VIZOYTHASA-N","135436146",NA,"PDBC42674","710320","Present"
-"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide","","C1=CC=C(C(=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=CC=C2O)O","BJXHONRYWGYJOW-KFSYKRRRSA-N","135431368",NA,"PDBC42675","29865","Present"
-"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide","","C1=CC=C(C(=C1)C=NNC(=O)CC2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F)O","UUNVXQMRDHKZLC-LGJNPRDNSA-N","135968237",NA,"PDBC42676","748673","Present"
-"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F)O","HYYLWNCCFQMCHI-BRJLIKDPSA-N","135968233",NA,"PDBC42677","748669","Present"
-"N-[(E)-(2-Methoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Methoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine","","COC1=CC=CC=C1C=NNC2=NC3=C(C4=CC=CC=C4C5=C3C=CC=N5)N=N2","ZABCSDGWSVEAJI-ZMOGYAJESA-N","9556167",NA,"PDBC42678","669020","Present"
-"N-[(E)-(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylideneamino]morpholine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylideneamino]morpholine-4-carboxamide","","C1COCCN1C(=O)NN=CC2=[N+](ON=C2C3=CC=CC=C3)[O-]","MARXGGLFUMEGRL-XNTDXEJSSA-N","135493990",NA,"PDBC42679","688497","Present"
-"N-[(E)-(2-Phenyl-1-pyridin-2-ylethylidene)amino]-1,3-benzoxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Phenyl-1-pyridin-2-ylethylidene)amino]-1,3-benzoxazol-2-amine","","C1=CC=C(C=C1)CC(=NNC2=NC3=CC=CC=C3O2)C4=CC=CC=N4","PAYACXPKLIXROI-PTGBLXJZSA-N","9572558",NA,"PDBC42680","720199","Present"
-"N-[(E)-(2-Phenyl-1-pyridin-2-ylethylidene)amino]-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-(2-Phenyl-1-pyridin-2-ylethylidene)amino]-1H-benzimidazol-2-amine","","C1=CC=C(C=C1)CC(=NNC2=NC3=CC=CC=C3N2)C4=CC=CC=N4","SVPNJSFFVYPLIM-LYBHJNIJSA-N","9572556",NA,"PDBC42681","720194","Present"
-"N-[(E)-(3,4,5-Trimethoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-(3,4,5-Trimethoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine","","COC1=CC(=CC(=C1OC)OC)C=NNC2=NC3=C(C4=CC=CC=C4C5=C3C=CC=N5)N=N2","QPBDSPQARCBLHC-LGJNPRDNSA-N","9571822",NA,"PDBC42682","661215","Present"
-"N-[(E)-(3,4-Dimethoxyphenyl)methylideneamino]-2-[2-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(3,4-Dimethoxyphenyl)methylideneamino]-2-[2-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide","","COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=CC4=CC(=C(C=C4)OC)OC)OC","RCCJZPDQMAUVGM-ZXHXELASSA-N","9556369",NA,"PDBC42683","698449","Present"
-"N-[(E)-(3,4-Dimethylphenyl)methylideneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(3,4-Dimethylphenyl)methylideneamino]benzenesulfonamide","","CC1=C(C=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2)C","WWXVKGVVZKASGP-LFIBNONCSA-N","9569899",NA,"PDBC42684","623225","Present"
-"N-[(E)-(3,5-Dimethyl-6-methylsulfanyl-1,1-dioxo-2-phenylthiazin-4-yl)methylideneamino]-4-nitroaniline","","","","","","","","","","","","","","","","","","","","N-[(E)-(3,5-Dimethyl-6-methylsulfanyl-1,1-dioxo-2-phenylthiazin-4-yl)methylideneamino]-4-nitroaniline","","CC1=C(S(=O)(=O)N(C(=C1C=NNC2=CC=C(C=C2)[N+](=O)[O-])C)C3=CC=CC=C3)SC","GACRJEZHCPBXTP-FYJGNVAPSA-N","9572097",NA,"PDBC42685","703162","Present"
-"N-[(E)-(3-Chlorophenyl)methylideneamino]-2-[1-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(3-Chlorophenyl)methylideneamino]-2-[1-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide","","CC(C(=O)NN=CC1=CC(=CC=C1)Cl)SC(C)C(=O)NN=CC2=CC(=CC=C2)Cl","RDHHPZFEIPDNPL-QEUMEHMPSA-N","54599374",NA,"PDBC42686","56736","Present"
-"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide","","CCOC1=CC=CC(=C1O)C=NNC(=O)CC2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F","VKTCJEKRRYZLIO-CCVNUDIWSA-N","135968238",NA,"PDBC42687","748674","Present"
-"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","CCOC1=CC=CC(=C1O)C=NNC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F","UGVQUYRMKCCKIT-UVHMKAGCSA-N","135968235",NA,"PDBC42688","748671","Present"
-"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","CCOC1=CC=CC(=C1O)C=NNC(=O)C2=CC(=CC=C2)NC3=CC(=NC=C3)C(F)(F)F","XRBWFXBPHGRTHK-UVHMKAGCSA-N","135968270",NA,"PDBC42689","748263","Present"
-"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","CCOC1=CC=CC(=C1O)C=NNC(=O)C2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F","VNRNRMLXMOUHGD-UVHMKAGCSA-N","135968236",NA,"PDBC42690","748672","Present"
-"N-[(E)-(3-Hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(3-Hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide","","COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC3=C2NC=C3)O","HFIKRHZIORYZHL-VXLYETTFSA-N","6899201",NA,"PDBC42691","746498","Present"
-"N-[(E)-(3-Hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(3-Hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","C1=CC(=CC(=C1)O)C=NNC(=O)C2=C(N=C(C=C2)C(F)(F)F)NC3=CC=CC(=C3)C(F)(F)F","NBRMRTGSNIWCBF-IPBVOBEMSA-N","45028833",NA,"PDBC42692","744611","Present"
-"N-[(E)-(3-Methoxy-4-phenoxyphenyl)methylideneamino]-2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide","","","","","","","","","","","","","","","","","","","","N'-(3-methoxy-4-phenoxybenzylidene)-2-phenyl-2,3-dihydro...","","COC1=C(C=CC(=C1)C=NNC(=O)C2=C3NC(CN3N=C2)C4=CC=CC=C4)OC5=CC=CC=C5","CTYNVCVMNCFKPV-JFLMPSFJSA-N","155807237",NA,"PDBC42693","797649","Present"
-"N-[(E)-(3-Methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide","","","","","","","","","","","","","","","","","","","","N'-(4-(benzyloxy)-3-methoxybenzylidene)-2-phenyl-2,3-dih...","","COC1=C(C=CC(=C1)C=NNC(=O)C2=C3NC(CN3N=C2)C4=CC=CC=C4)OCC5=CC=CC=C5","LAPDWBTXMOQBRL-RWPZCVJISA-N","155813363",NA,"PDBC42694","797650","Present"
-"N-[(E)-(4,4-Dimethyl-2-bicyclo[3.2.1]octanylidene)amino]acetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4,4-Dimethyl-2-bicyclo[3.2.1]octanylidene)amino]acetamide","","CC(=O)NN=C1CC(C2CCC1C2)(C)C","WUEKNJXUHBWDRN-SDNWHVSQSA-N","5937183",NA,"PDBC42695","625793","Present"
-"N-[(E)-(4-Chloro-3-nitrophenyl)methylideneamino]formamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Chloro-3-nitrophenyl)methylideneamino]formamide","","C1=CC(=C(C=C1C=NNC=O)[N+](=O)[O-])Cl","ZKQOFWLDKTUXRE-ONNFQVAWSA-N","6861592",NA,"PDBC42696","121754","Present"
-"N-[(E)-(4-Chlorophenyl)methyleneamino]-5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Chlorophenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide","","CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)NN=CC4=CC=C(C=C4)Cl","GIHNTQKMGBKASZ-LUOAPIJWSA-N","11590674",NA,"PDBC42697","736149","Present"
-"N-[(E)-(4-Chlorophenyl)methylideneamino]-2-[2-[[(E)-(4-chlorophenyl)methylideneamino]carbamoyl]anilino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Chlorophenyl)methylideneamino]-2-[2-[[(E)-(4-chlorophenyl)methylideneamino]carbamoyl]anilino]benzamide","","C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)Cl)NC3=CC=CC=C3C(=O)NN=CC4=CC=C(C=C4)Cl","SOUMGTVQSYVYIM-LTTYKRRRSA-N","9556367",NA,"PDBC42698","698447","Present"
-"N-[(E)-(4-Chlorophenyl)methylideneamino]-2-hydroxy-3,5-diiodobenzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Chlorophenyl)methylideneamino]-2-hydroxy-3,5-diiodobenzamide","","C1=CC(=CC=C1C=NNC(=O)C2=C(C(=CC(=C2)I)I)O)Cl","ORCBYCQOTXIAKR-CNHKJKLMSA-N","9572430",NA,"PDBC42699","716155","Present"
-"N-[(E)-(4-Chlorophenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Chlorophenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine","","C1=CC=C2C(=C1)C3=C(C=CC=N3)C4=C2N=NC(=N4)NN=CC5=CC=C(C=C5)Cl","DVYDFEGMWUWDTF-WYMPLXKRSA-N","9571437",NA,"PDBC42700","661217","Present"
-"N-[(E)-(4-Chlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Chlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)Cl)C(F)(F)F","YZYOKRIVDBHSFB-VPUKRXIYSA-N","45029300",NA,"PDBC42701","746060","Present"
-"N-[(E)-(4-Fluorophenyl)methylideneamino]-5-iodo-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Fluorophenyl)methylideneamino]-5-iodo-3-phenyl-1H-indole-2-carboxamide","","C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)I)C(=O)NN=CC4=CC=C(C=C4)F","FCZQOYLNNRGIOM-DHRITJCHSA-N","54613729",NA,"PDBC42702","747378","Present"
-"N-[(E)-(4-Fluorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Fluorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)F)C(F)(F)F","GFNMQVGJHNRAKI-VPUKRXIYSA-N","45028736",NA,"PDBC42703","743924","Present"
-"N-[(E)-(4-Hydroxyphenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Hydroxyphenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide","","CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)NN=CC4=CC=C(C=C4)O","WWTQJQVHECEMCY-KBKYJPHKSA-N","135580415",NA,"PDBC42704","736150","Present"
-"N-[(E)-(4-Methoxyphenyl)methylideneamino]-2-[2-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Methoxyphenyl)methylideneamino]-2-[2-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide","","COC1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=CC4=CC=C(C=C4)OC","FKNDCGPKYZADEA-GKTLAHRSSA-N","9556368",NA,"PDBC42705","698448","Present"
-"N-[(E)-(4-Methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methylideneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Furazan-3-carboxyaldehyde, 4-methyl-, (phenylsulfonyl)hy...","","CC1=NO[N+](=C1C=NNS(=O)(=O)C2=CC=CC=C2)[O-]","QLXAKDDWVFQBBI-YRNVUSSQSA-N","135499284",NA,"PDBC42706","647715","Present"
-"N-[(E)-(4-Nitrophenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Nitrophenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide","","C1=CC=NC(=C1)C2=NN=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","FZVGBZMKMOTWTQ-GIJQJNRQSA-N","9572471",NA,"PDBC42707","716804","Present"
-"N-[(E)-(4-Nitrophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Nitrophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC(=NC=C3)C(F)(F)F","NQJJZKQYMJEDHF-BRJLIKDPSA-N","45028731",NA,"PDBC42708","743919","Present"
-"N-[(E)-(4-Nitrophenyl)methylideneamino]phenazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(4-Nitrophenyl)methylideneamino]phenazine-1-carboxamide","","C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-]","AMHFGXOHFJJBSJ-CIAFOILYSA-N","9572500",NA,"PDBC42709","718155","Present"
-"N-[(E)-(5-Bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(5-Bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide","","C1=CC(=CC=C1CCC(=O)NN=CC2=C(C=CC(=C2)Br)O)O","NFVDIJBWLQZOKN-VCHYOVAHSA-N","135545714",NA,"PDBC42710","142493","Present"
-"N-[(E)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C=CC(=C2)Cl)O)NC3=CC(=NC=C3)C(F)(F)F","UGTWNAOSQWGNEE-KBKYJPHKSA-N","135968273",NA,"PDBC42711","747459","Present"
-"N-[(E)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]pentanediamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]pentanediamide","","C1=CC(=C(C=C1Cl)C=NNC(=O)CCCC(=O)NN=CC2=C(C=CC(=C2)Cl)O)O","AOYUMLNWNHCSEF-BKNYSILLSA-N","135509602",NA,"PDBC42712","106139","Present"
-"N-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine","","C1=CC=C2C(=C1)C3=C(C=CC=N3)C4=C2N=NC(=N4)NN=CC5=CC=C(O5)[N+](=O)[O-]","VMHDBVVZBFTUPQ-UFFVCSGVSA-N","9571823",NA,"PDBC42713","661216","Present"
-"N-[(E)-(6-Chloro-4-oxo-chromen-3-yl)methyleneamino]-3,4,5-trihydroxy-benzamide","","","","","","","","","","","","","","","","","","","","3,4,5-trihydroxy-benzoic acid (6-chloro-4-oxo-4H-chromen...","","C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=NNC(=O)C3=CC(=C(C(=C3)O)O)O","YLWBSNUXICLLOH-KPSZGOFPSA-N","9579176",NA,"PDBC42714","732266","Present"
-"N-[(E)-(6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl]pyridine-4-carbothioamide","","","","","","","","","","","","","","","","","","","","N-[(E)-(6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl]pyridine-4-carbothioamide","","CC1=CC(=C(C(=O)O1)C=NC(=S)C2=CC=NC=C2)O","NCOUDUSOPUQAFT-UHFFFAOYSA-N","135409062",NA,"PDBC42715","657459","Present"
-"N-[(E)-(6-Methylchromen-4-ylidene)amino]aniline","","","","","","","","","","","","","","","","","","","","N-[(E)-(6-Methylchromen-4-ylidene)amino]aniline","","CC1=CC2=C(C=C1)OC=CC2=NNC3=CC=CC=C3","LGEVMCFFTMWWBP-OBGWFSINSA-N","5838964",NA,"PDBC42716","601994","Present"
-"N-[(E)-(9-Methoxy-6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]-2,4-dinitroaniline","","","","","","","","","","","","","","","","","","","","N-[(E)-(9-Methoxy-6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]-2,4-dinitroaniline","","CC12CCC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4C1CC(CC24)OC","IYCRBPKMMSFIQU-HMMYKYKNSA-N","9569912",NA,"PDBC42717","624357","Present"
-"N-[(E)-1-(1,3-Benzodioxol-5-yl)propan-2-ylideneamino]-2-[[5-[1-[(2E)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[(E)-1-(1,3-Benzodioxol-5-yl)propan-2-ylideneamino]-2-[[5-[1-[(2E)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide","","CC(C(=O)NN=C(C)CC1=CC2=C(C=C1)OCO2)SC3=NN=C(S3)SC(C)C(=O)NN=C(C)CC4=CC5=C(C=C4)OCO5","LOWVQWJFFKBQDQ-CMNXJCJSSA-N","9572156",NA,"PDBC42718","706006","Present"
-"N-[(E)-1-(2,3,4-Trihydroxyphenyl)decylideneamino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-1-(2,3,4-Trihydroxyphenyl)decylideneamino]pyridine-4-carboxamide","","CCCCCCCCCC(=NNC(=O)C1=CC=NC=C1)C2=C(C(=C(C=C2)O)O)O","LGDNABUDFVHCBN-HKOYGPOVSA-N","135408642",NA,"PDBC42719","54690","Present"
-"N-[(E)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)propylideneamino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)propylideneamino]pyridine-3-carboxamide","","CCC(=NNC(=O)C1=CN=CC=C1)C2=CC3=C(C=C2)OCCO3","CTBCYEGHYZPYLC-XMHGGMMESA-N","6919276",NA,"PDBC42720","720235","Present"
-"N-[(E)-1-(4-Hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[(E)-1-(4-Hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=C(C=C(OC2=O)C)O","GEMMRLPMIPRTSU-LFIBNONCSA-N","135455599",NA,"PDBC42721","618496","Present"
-"N-[(E)-1-(6-Methylpyrimidin-4-yl)ethylideneamino]-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-(6-Methylpyrimidin-4-yl)ethylideneamino]-1,3-benzothiazol-2-amine","","CC1=CC(=NC=N1)C(=NNC2=NC3=CC=CC=C3S2)C","SEJMSFFDFURLDL-VCHYOVAHSA-N","9572045",NA,"PDBC42722","693633","Present"
-"N-[(E)-1-(6-Methylpyrimidin-4-yl)ethylideneamino]-1,3-benzoxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-(6-Methylpyrimidin-4-yl)ethylideneamino]-1,3-benzoxazol-2-amine","","CC1=CC(=NC=N1)C(=NNC2=NC3=CC=CC=C3O2)C","ITNLPLBIHXHFPI-VCHYOVAHSA-N","9572049",NA,"PDBC42723","693637","Present"
-"N-[(E)-1-Dimethoxyphosphoryl-2-(1-tritylimidazol-4-yl)vinyl]formamide","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Dimethoxyphosphoryl-2-(1-tritylimidazol-4-yl)vinyl]formamide","","COP(=O)(C(=CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC=O)OC","ZLAPORNFYHVNOP-NLRVBDNBSA-N","5468398",NA,"PDBC42724","669592","Present"
-"N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1,3-benzothiazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2S1)C3=CC4=CC=CC=C4C=N3","YITHSFNNFSPBCY-CIAFOILYSA-N","9572098",NA,"PDBC42725","703165","Present"
-"N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1,3-benzoxazol-2-amine","","","","","","","","","","","","","","","","","","","","Ethanone, 1-(3-isoquinolinyl)-, (2-benzoxazolyl)hydrazone","","CC(=NNC1=NC2=CC=CC=C2O1)C3=CC4=CC=CC=C4C=N3","CQYWNLWTQUEJRG-CIAFOILYSA-N","9572050",NA,"PDBC42726","693638","Present"
-"N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1-methylbenzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1-methylbenzimidazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2N1C)C3=CC4=CC=CC=C4C=N3","UXHLNOYNGJUBBR-LPYMAVHISA-N","9572093",NA,"PDBC42727","703108","Present"
-"N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1H-benzimidazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2N1)C3=CC4=CC=CC=C4C=N3","RYXAIOOEHKWXEI-WSDLNYQXSA-N","9572092",NA,"PDBC42728","703107","Present"
-"N-[(E)-1-Pyrazin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Pyrazin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2S1)C3=NC=CN=C3","SKRYPHLFZNQIPE-RQZCQDPDSA-N","9572044",NA,"PDBC42729","693631","Present"
-"N-[(E)-1-Pyrazin-2-ylethylideneamino]-1,3-benzoxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Pyrazin-2-ylethylideneamino]-1,3-benzoxazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2O1)C3=NC=CN=C3","PKOHYWDPXJOSSM-RQZCQDPDSA-N","9572086",NA,"PDBC42730","703100","Present"
-"N-[(E)-1-Pyrazin-2-ylethylideneamino]-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Pyrazin-2-ylethylideneamino]-1H-benzimidazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2N1)C3=NC=CN=C3","NPJNZRCBNBIANC-GIJQJNRQSA-N","9572087",NA,"PDBC42731","703101","Present"
-"N-[(E)-1-Pyridazin-3-ylethylideneamino]-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Pyridazin-3-ylethylideneamino]-1,3-benzothiazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2S1)C3=NN=CC=C3","YWCYOZDRZBDPOA-CXUHLZMHSA-N","9572043",NA,"PDBC42732","693630","Present"
-"N-[(E)-1-Pyridin-2-ylethylideneamino]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Pyridin-2-ylethylideneamino]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine","","CC(=NNC1=NC2=C(S1)C=CC(=C2)C(F)(F)F)C3=CC=CC=N3","SVLOHIQKILEKEY-ZVBGSRNCSA-N","9572095",NA,"PDBC42733","703110","Present"
-"N-[(E)-1-Pyridin-2-ylethylideneamino]-[1,3]thiazolo[5,4-b]pyridin-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Pyridin-2-ylethylideneamino]-[1,3]thiazolo[5,4-b]pyridin-2-amine","","CC(=NNC1=NC2=C(S1)N=CC=C2)C3=CC=CC=N3","ANMRRQRSIVOLHB-RQZCQDPDSA-N","9572047",NA,"PDBC42734","693635","Present"
-"N-[(E)-1-Pyrimidin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Pyrimidin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2S1)C3=NC=CC=N3","UWEYFUAPWACRTE-RQZCQDPDSA-N","9572048",NA,"PDBC42735","693636","Present"
-"N-[(E)-1-Pyrimidin-2-ylethylideneamino]-1,3-benzoxazol-2-amine","","","","","","","","","","","","","","","","","","","","Ethanone, 1-(2-pyrimidinyl)-, (2-benzoxazolyl)hydrazone","","CC(=NNC1=NC2=CC=CC=C2O1)C3=NC=CC=N3","FTVKANYOVYWVHC-RQZCQDPDSA-N","9572051",NA,"PDBC42736","693639","Present"
-"N-[(E)-1-Pyrimidin-4-ylethylideneamino]-1,3-benzoxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Pyrimidin-4-ylethylideneamino]-1,3-benzoxazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2O1)C3=NC=NC=C3","OWAOUOQUKHITTA-RQZCQDPDSA-N","9572089",NA,"PDBC42737","703103","Present"
-"N-[(E)-1-Pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2N1)C3=NC=NC=C3","GSVZQYFWGJGZGV-GIJQJNRQSA-N","9572090",NA,"PDBC42738","703104","Present"
-"N-[(E)-1-Quinolin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Quinolin-2-ylethylideneamino]-1,3-benzothiazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2S1)C3=NC4=CC=CC=C4C=C3","YNGWHJOBGXTPJZ-CIAFOILYSA-N","9572609",NA,"PDBC42739","722318","Present"
-"N-[(E)-1-Quinolin-2-ylethylideneamino]-1,3-benzoxazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Quinolin-2-ylethylideneamino]-1,3-benzoxazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2O1)C3=NC4=CC=CC=C4C=C3","CBBXHKJWAJOIPF-CIAFOILYSA-N","9572608",NA,"PDBC42740","722317","Present"
-"N-[(E)-1-Quinolin-2-ylethylideneamino]-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Quinolin-2-ylethylideneamino]-1H-benzimidazol-2-amine","","CC(=NNC1=NC2=CC=CC=C2N1)C3=NC4=CC=CC=C4C=C3","WJYSFNUFWNKEOX-WSDLNYQXSA-N","9572606",NA,"PDBC42741","722315","Present"
-"N-[(E)-1-Quinolin-8-ylethylideneamino]azepane-1-carbothioamide","","","","","","","","","","","","","","","","","","","","N-[(E)-1-Quinolin-8-ylethylideneamino]azepane-1-carbothioamide","","CC(=NNC(=S)N1CCCCCC1)C2=CC=CC3=C2N=CC=C3","KKURDNASMPVGKT-XSFVSMFZSA-N","54601897",NA,"PDBC42742","363951","Present"
-"N-[(E)-1-[(2S,4S)-4-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-3-nitrobenzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","Benzoic acid, 3-nitro-, [[1-[4-[(3-amino-2,3,6-trideoxy-...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC(=CC=C6)[N+](=O)[O-])C)O)N)O.Cl","QEORIOWOGNHTED-YMYQXXOFSA-N","54607142",NA,"PDBC42743","221265","Present"
-"N-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]pyridine-4-carboxamide","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=O)C5=CC=NC=C5)C","WYQIIKFMEBSUDD-NDZAJKAJSA-N","9571772",NA,"PDBC42744","648582","Present"
-"N-[(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-C-methyl-N-[(2-pyridin-1-ium-1-ylacetyl)amino]carbonimidoyl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]ethylideneamino]-2-pyridin-1-ium-1-ylacetamide;chloride","","","","","","","","","","","","","","","","","","","","N-[(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-C-methyl-N-[(2-pyridin-1-ium-1-ylacetyl)amino]carbonimidoyl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]ethylideneamino]-2-pyridin-1-ium-1-ylacetamide;chloride","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=NNC(=O)C[N+]3=CC=CC=C3)C)C)C(=NNC(=O)C[N+]4=CC=CC=C4)C.[Cl-]","WBOFMMLDXXAVNC-UHFFFAOYSA-O","9571670",NA,"PDBC42745","642605","Present"
-"N-[(E)-1-[6-[(E)-C-Methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-1-[6-[(E)-C-Methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide","","CC(=NNC(=O)C1=CN=CC=C1)C2=NC(=CC=C2)C(=NNC(=O)C3=CN=CC=C3)C","KTIMZDVPCGKQRT-LVSXPEEVSA-N","5791411",NA,"PDBC42746","617565","Present"
-"N-[(E)-2,3-Dihydro-1H-inden-5-ylmethylideneamino]-2-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-2,3-Dihydro-1H-inden-5-ylmethylideneamino]-2-hydroxybenzamide","","C1CC2=C(C1)C=C(C=C2)C=NNC(=O)C3=CC=CC=C3O","WAHZSOZHLCYJJD-WOJGMQOQSA-N","5771620",NA,"PDBC42747","125044","Present"
-"N-[(E)-2-(1,3-Benzothiazol-2-yl)-2-cyanovinyl]pyridine-4-carbothioamide","","","","","","","","","","","","","","","","","","","","N-[(E)-2-(1,3-Benzothiazol-2-yl)-2-cyanovinyl]pyridine-4-carbothioamide","","C1=CC=C2C(=C1)N=C(S2)C(=CNC(=S)C3=CC=NC=C3)C#N","SAJLUEONNSGLNE-ZRDIBKRKSA-N","3004756",NA,"PDBC42748","659694","Present"
-"N-[(E)-2-Amino-1-(hydrazinocarbonyl)-2-(3-nitrophenyl)vinyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-2-Amino-1-(hydrazinocarbonyl)-2-(3-nitrophenyl)vinyl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=C(C2=CC(=CC=C2)[N+](=O)[O-])N)C(=O)NN","DMAKTCPTTKQRGI-BUHFOSPRSA-N","5388166",NA,"PDBC42749","632934","Present"
-"N-[(E)-2-Amino-2-(4-chlorophenyl)-1-(hydrazinocarbonyl)vinyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-2-Amino-2-(4-chlorophenyl)-1-(hydrazinocarbonyl)vinyl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=C(C2=CC=C(C=C2)Cl)N)C(=O)NN","GDROIRRDKDPMSV-BUHFOSPRSA-N","3000676",NA,"PDBC42750","632949","Present"
-"N-[(E)-2-Methoxyethenyl]tetradecanethioamide","","","","","","","","","","","","","","","","","","","","N-[(E)-2-Methoxyethenyl]tetradecanethioamide","","CCCCCCCCCCCCCC(=S)NC=COC","LGZAMZLZMBGJPB-FOCLMDBBSA-N","5933876",NA,"PDBC42751","639419","Present"
-"N-[(E)-4-Hydroxybut-2-enyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-4-Hydroxybut-2-enyl]benzamide","","C1=CC=C(C=C1)C(=O)NCC=CCO","RMVHXXQSKYWSDW-SNAWJCMRSA-N","5387027",NA,"PDBC42752","619915","Present"
-"N-[(E)-Benzylideneamino]-1-methyltetrazol-5-amine","","","","","","","","","","","","","","","","","","","","Benzaldehyde, (1-methyl-1H-tetrazol-5-yl)hydrazone","","CN1C(=NN=N1)NN=CC2=CC=CC=C2","CRYWPMSMTIFAGJ-JXMROGBWSA-N","9562675",NA,"PDBC42753","166648","Present"
-"N-[(E)-Benzylideneamino]-11-methyl-3,4,5,6,7,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-8-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-Benzylideneamino]-11-methyl-3,4,5,6,7,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-8-amine","","CN1C=C2C(=N1)C(=NN3C2=NN=N3)NN=CC4=CC=CC=C4","IOPACRHQQKHBFY-VGOFMYFVSA-N","9570023",NA,"PDBC42754","633095","Present"
-"N-[(E)-Benzylideneamino]-2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-Benzylideneamino]-2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NN=CC4=CC=CC=C4","COZVAAPKIUAPPE-VULFUBBASA-N","9572422",NA,"PDBC42755","715740","Present"
-"N-[(E)-Benzylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-Benzylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide","","C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(S2)C3=CC=CC=N3","OINNYWWMTYBGMS-VCHYOVAHSA-N","9572470",NA,"PDBC42756","716803","Present"
-"N-[(E)-Benzylideneamino]-3-pyridin-3-ylquinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-Benzylideneamino]-3-pyridin-3-ylquinoline-4-carboxamide","","C1=CC=C(C=C1)C=NNC(=O)C2=C(C=NC3=CC=CC=C32)C4=CN=CC=C4","QGTIKOVJEOUTFP-DHRITJCHSA-N","9571813",NA,"PDBC42757","659292","Present"
-"N-[(E)-Benzylideneamino]-5-[5-[(2E)-2-benzylidenehydrazinyl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-Benzylideneamino]-5-[5-[(2E)-2-benzylidenehydrazinyl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazol-2-amine","","C1=CC=C(C=C1)C=NNC2=NN=C(O2)C3=NN=C(O3)NN=CC4=CC=CC=C4","WPAZFWTYQLSNPT-AYKLPDECSA-N","9555949",NA,"PDBC42758","661584","Present"
-"N-[(E)-Furan-2-ylmethylideneamino]-2-hydroxy-3,5-diiodobenzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-Furan-2-ylmethylideneamino]-2-hydroxy-3,5-diiodobenzamide","","C1=COC(=C1)C=NNC(=O)C2=C(C(=CC(=C2)I)I)O","IJOVHVFASZRTMF-GIDUJCDVSA-N","9572431",NA,"PDBC42759","716156","Present"
-"N-[(E)-Pyridin-4-ylmethylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-Pyridin-4-ylmethylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide","","C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=NC=C3)C(F)(F)F","XQMMLHNXJMPKBX-IPBVOBEMSA-N","45028737",NA,"PDBC42760","743925","Present"
-"N-[(E)-[(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]acridine-4-carboxamide","","CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NNC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)CCC34","QFLMVJADQLUMMQ-PDHQMZKCSA-N","9572109",NA,"PDBC42761","703874","Present"
-"N-[(E)-[(8R,9S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-9-oxo-10H-acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(8R,9S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-9-oxo-10H-acridine-4-carboxamide","","CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NNC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34","PUKMXLXCIUIMFN-RSXVDOSISA-N","9572003",NA,"PDBC42762","684412","Present"
-"N-[(E)-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=O)C5=CC=NC=C5)C=CC6=CC=C(C=C6)[N+](=O)[O-]","BLTDODXXLCRXRD-BVVZBFNZSA-N","9574280",NA,"PDBC42763","642636","Present"
-"N-[(E)-[(E)-But-2-enylidene]amino]-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[(E)-But-2-enylidene]amino]-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-4-methylbenzenesulfonamide","","CC=CC=NN(C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C","HXOVZCHMWNKXFV-HOIMMBIJSA-N","9555834",NA,"PDBC42764","640642","Present"
-"N-[(E)-[1-(5-Chloro-2-hydroxyphenyl)-3-methylbutylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[1-(5-Chloro-2-hydroxyphenyl)-3-methylbutylidene]amino]pyridine-4-carboxamide","","CC(C)CC(=NNC(=O)C1=CC=NC=C1)C2=C(C=CC(=C2)Cl)O","RKYOOFYXWKNEDT-HMMYKYKNSA-N","135431336",NA,"PDBC42765","27604","Present"
-"N-[(E)-[2-(5-Methoxy-3-methylidenepentyl)cycloheptylidene]amino]-N-methylmethanamine","","","","","","","","","","","","","","","","","","","","N-[(E)-[2-(5-Methoxy-3-methylidenepentyl)cycloheptylidene]amino]-N-methylmethanamine","","CN(C)N=C1CCCCCC1CCC(=C)CCOC","URWVGJTWRDBHTH-WUKNDPDISA-N","9572054",NA,"PDBC42766","695230","Present"
-"N-[(E)-[2-Chloro-4-(dimethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[2-Chloro-4-(dimethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide","","CN(C)C1=CC(=C(C=C1)C=NNC(=O)C2=CC=CC3=CC=CC=C32)Cl","DRFOYVAYYXQSPB-LPYMAVHISA-N","9568495",NA,"PDBC42767","115980","Present"
-"N-[(E)-[2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide","","","","","","","","","","","","","","","","","","","","N-[(E)-[2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide","","COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)C=NNC4=NCCN4)OC)[N+](=O)[O-].Br","PGZUQYANSPRCFK-RTXBPYFBSA-N","24204559",NA,"PDBC42768","732183","Present"
-"N-[(E)-[2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(E)-[2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride","","COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)C=NNC4=CC=CC=N4)OC)[N+](=O)[O-].Cl","QTIRMKAJKIYJTK-PXSFLOMMSA-N","24204563",NA,"PDBC42769","732185","Present"
-"N-[(E)-[3-(Dimethylamino)-1-phenylpropylidene]amino]aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(E)-[3-(Dimethylamino)-1-phenylpropylidene]amino]aniline;hydrochloride","","CN(C)CCC(=NNC1=CC=CC=C1)C2=CC=CC=C2.Cl","WMNKLMSUHCZMDI-ZJSKVYKZSA-N","9569913",NA,"PDBC42770","625220","Present"
-"N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide","","CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)CC2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F)O","PBEZEHVFTUEBTH-OKCVXOCRSA-N","135968280",NA,"PDBC42771","748265","Present"
-"N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F)O","ZQDTXQOYYYIOBK-WKULSOCRSA-N","135968272",NA,"PDBC42772","747458","Present"
-"N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F)O","ROWXQQHVEFYQOE-WKULSOCRSA-N","135968274",NA,"PDBC42773","747460","Present"
-"N-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-2-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-2-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide","","CN(C)C1=CC=C(C=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=C(C=C2)N(C)C","YCVKGXMBVRPLKB-NQGGHMMCSA-N","54602438",NA,"PDBC42774","16878","Present"
-"N-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-3,4,5-trimethoxybenzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-3,4,5-trimethoxybenzamide","","CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC","FOIRZUYWMMVDEI-UDWIEESQSA-N","6158638",NA,"PDBC42775","143343","Present"
-"N-[(E)-[4-[(E)-(Benzenesulfonylhydrazinylidene)methyl]phenyl]methylideneamino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[4-[(E)-(Benzenesulfonylhydrazinylidene)methyl]phenyl]methylideneamino]benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3","RXDKVYZMLCDVMV-YHARCJFQSA-N","9569900",NA,"PDBC42776","623229","Present"
-"N-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide","","C1=CC(=CC=C1C=NNC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)N(CCCl)CCCl","RALUPMDCOQIOIS-AFUMVMLFSA-N","9615407",NA,"PDBC42777","79687","Present"
-"N-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]quinolin-4-amine","","C1=CC=C2C(=C1)C(=CC=N2)NN=CC3=CC=C(C=C3)N(CCCl)CCCl","BEIQUHPCCPRYMS-BUVRLJJBSA-N","9555375",NA,"PDBC42778","313935","Present"
-"N-[(E)-[5-Fluoro-2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]-4-methylsulfonylaniline","","","","","","","","","","","","","","","","","","","","5-fluoro-2-(4-(methylsulfonyl)phenyl)-3-((2-(4-(methylsu...","","CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)C=NNC4=CC=C(C=C4)S(=O)(=O)C","BSGVCDAAXBXLJE-AFUMVMLFSA-N","155808027",NA,"PDBC42779","801891","Present"
-"N-[(E)-[5-[4-Methoxy-3-(3-methoxy-4-methylphenyl)phenyl]-3-nitrofuran-2-yl]methylideneamino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[5-[4-Methoxy-3-(3-methoxy-4-methylphenyl)phenyl]-3-nitrofuran-2-yl]methylideneamino]pyridine-4-carboxamide","","CC1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC(=C(O3)C=NNC(=O)C4=CC=NC=C4)[N+](=O)[O-])OC)OC","AHMKICSBJKVXCO-RWPZCVJISA-N","9555887",NA,"PDBC42780","647252","Present"
-"N-[(E)-[6-(2,5-Dimethylanilino)-1-(4-hydroxyphenyl)-2-methyl-1,6-dioxohexan-3-ylidene]amino]-2-hydroxynaphthalene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[6-(2,5-Dimethylanilino)-1-(4-hydroxyphenyl)-2-methyl-1,6-dioxohexan-3-ylidene]amino]-2-hydroxynaphthalene-1-carboxamide","","CC1=CC(=C(C=C1)C)NC(=O)CCC(=NNC(=O)C2=C(C=CC3=CC=CC=C32)O)C(C)C(=O)C4=CC=C(C=C4)O","DARIHMOCHDYXKU-JJNGWGCYSA-N","9555801",NA,"PDBC42781","630357","Present"
-"N-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide","","","","","","","","","","","","","","","","","","","","N-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide","","CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NNC4=NCCN4.Br","NRPMDCPOMLBRHB-YYJLQXKGSA-N","24204008",NA,"PDBC42782","730327","Present"
-"N-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride","","CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NNC4=CC=CC=N4.Cl","OGZIGVKEDRSEPW-CSFJJMQLSA-N","24204010",NA,"PDBC42783","730328","Present"
-"N-[(E)-[Cyclohexyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-[Cyclohexyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine","","C1CCC(CC1)C(=NNC2=NC3=CC=CC=C3S2)C4=CC=CC=N4","WIILCPRVAPFCTN-RELWKKBWSA-N","9572557",NA,"PDBC42784","720197","Present"
-"N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]-1H-benzimidazol-2-amine","","C1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3N2)C4=CC=CC=N4","ANXLJXKOSUQTNO-PTGBLXJZSA-N","9572555",NA,"PDBC42785","720193","Present"
-"N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]quinolin-2-amine","","C1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3C=C2)C4=CC=CC=N4","OMPFOEQSNRLYEL-NJNXFGOHSA-N","6512080",NA,"PDBC42786","332996","Present"
-"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC=CC=C3OC","OOKACWYQPRJAKK-UEWXSIHKSA-N","135505233",NA,"PDBC42787","706153","Present"
-"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC=CC=C3C","CNYPBBCKYVQRBR-UEWXSIHKSA-N","135505231",NA,"PDBC42788","706151","Present"
-"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC(=CC=C3)OC","ARUAPOGJJSATMT-UEWXSIHKSA-N","135505235",NA,"PDBC42789","706155","Present"
-"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC=CC(=C3)C","SOJOBFGEBMGKFF-UEWXSIHKSA-N","135505232",NA,"PDBC42790","706152","Present"
-"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC(=CC=C3)[N+](=O)[O-]","RSRDJAVRDJIATJ-MTHGECESSA-N","135505236",NA,"PDBC42791","706156","Present"
-"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC=C(C=C3)OC","MNEFCAVMJFMBBU-UEWXSIHKSA-N","135505234",NA,"PDBC42792","706154","Present"
-"N-[(Hexahydro-1,3-dioxo-5beta,8beta-methano-1H-[1,2,4]triazolo[1,2-a]pyridazin)-2-yl]-S,S-dimethylsulfoximide","","","","","","","","","","","","","","","","","","","","(1R,7S)-4-[[Dimethyl(oxo)-lambda6-sulfanylidene]amino]-2,4,6-triazatricyclo[5.2.1.02,6]decane-3,5-dione","","CS(=NN1C(=O)N2C3CCC(C3)N2C1=O)(=O)C","IWVJNPRKJPDLKL-KNVOCYPGSA-N","396798",NA,"PDBC42793","703777","Present"
-"N-[(R)-1-(9-Anthryl)ethyl]-4-chloro-6-methoxy-1,3,5-triazine-2-amine","","","","","","","","","","","","","","","","","","","","N-[(R)-1-(9-Anthryl)ethyl]-4-chloro-6-methoxy-1,3,5-triazine-2-amine","","CC(C1=C2C=CC=CC2=CC3=CC=CC=C31)NC4=NC(=NC(=N4)Cl)OC","JGBQYJWIBDYWOM-GFCCVEGCSA-N","402908",NA,"PDBC42794","717230","Present"
-"N-[(R)-1-Phenylethyl]-4-[[[3-(3-phenoxyphenyl)acryloyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(R)-1-Phenylethyl]-4-[[[3-(3-phenoxyphenyl)acryloyl]amino]methyl]benzamide","","CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4","LAKIVZHZYOAQEW-VEYZUFFBSA-N","5470483",NA,"PDBC42795","702129","Present"
-"N-[(S)-1-(Methoxycarbonyl)ethyl]-6-[[[(S)-2-(tert-butyloxycarbonylamino)propionyl]amino]methyl]-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxamide","","","","","","","","","","","","","","","","","","","","Methyl (2S)-2-[[9-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-9-carbonyl]amino]propanoate","","CC(C(=O)NCC1(CC2=CC=CC=C2C3=CC=CC=C3C1)C(=O)NC(C)C(=O)OC)NC(=O)OC(C)(C)C","CXBVHIMUGYMAQL-OALUTQOASA-N","5471089",NA,"PDBC42796","708388","Present"
-"N-[(S)-1-Benzofuran-2-yl-(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)formamide","","","","","","","","","","","","","","","","","","","","N-[(S)-1-Benzofuran-2-yl-(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)formamide","","COC(CN(C=O)C(C1=CC=C(C=C1)Cl)C2=CC3=CC=CC=C3O2)OC","AZYRBWYTIVGKAD-FQEVSTJZSA-N","403352",NA,"PDBC42797","718144","Present"
-"N-[(Z)-(1'-Iodo-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-ylidene)amino]-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-(1'-Iodo-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-ylidene)amino]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(C=C2)C4=CC=CC=C4N(C3=O)I","ARABGRUWUDGFHK-PXLXIMEGSA-N","6081340",NA,"PDBC42798","694681","Present"
-"N-[(Z)-(11-Hydroxy-1,4,4,7-tetramethyl-3-tricyclo[5.3.1.02,6]undecanylidene)amino]-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-(11-Hydroxy-1,4,4,7-tetramethyl-3-tricyclo[5.3.1.02,6]undecanylidene)amino]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3C(CC2(C)C)C4(CCCC3(C4O)C)C","NMSDNZCGHSBWGX-NKFKGCMQSA-N","6063273",NA,"PDBC42799","670165","Present"
-"N-[(Z)-(2,4,7-Trinitrofluoren-9-ylidene)amino]-10H-anthracen-9-imine","","","","","","","","","","","","","","","","","","","","9H-Fluoren-9-one, 2,4,7-trinitro-, (9,10-dihydroanthrace...","","C1C2=CC=CC=C2C(=NN=C3C4=C(C=CC(=C4)[N+](=O)[O-])C5=C3C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])C6=CC=CC=C61","IUKHXDTZYAUMLP-OHYPFYFLSA-N","5778945",NA,"PDBC42800","658139","Present"
-"N-[(Z)-(2-Hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-(2-Hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide","","C1CC1C(=O)NN=CC2=C(C=CC3=CC=CC=C32)O","BJRRKRXUCGHUGX-SXGWCWSVSA-N","135460295",NA,"PDBC42801","72881","Present"
-"N-[(Z)-(3-Ethoxycyclohex-2-en-1-ylidene)amino]-4-nitroaniline","","","","","","","","","","","","","","","","","","","","N-[(Z)-(3-Ethoxycyclohex-2-en-1-ylidene)amino]-4-nitroaniline","","CCOC1=CC(=NNC2=CC=C(C=C2)[N+](=O)[O-])CCC1","OWHSVAANAHWCAK-VBKFSLOCSA-N","5978780",NA,"PDBC42802","400655","Present"
-"N-[(Z)-(4-Acetyl-5'-bromo-2'-oxospiro[1,3,4-thiadiazolidine-5,3'-1H-indole]-2-ylidene)amino]acetamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-(4-Acetyl-5'-bromo-2'-oxospiro[1,3,4-thiadiazolidine-5,3'-1H-indole]-2-ylidene)amino]acetamide","","CC(=O)NN=C1NN(C2(S1)C3=C(C=CC(=C3)Br)NC2=O)C(=O)C","PKKSXWANCRIZKT-UHFFFAOYSA-N","135489791",NA,"PDBC42803","674463","Present"
-"N-[(Z)-(4-Acetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazolidine-5,3'-1H-indole]-2-ylidene)amino]acetamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-(4-Acetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazolidine-5,3'-1H-indole]-2-ylidene)amino]acetamide","","CC1=CC2=C(C=C1)NC(=O)C23N(NC(=NNC(=O)C)S3)C(=O)C","YKIYARKYGCEEAG-UHFFFAOYSA-N","135489790",NA,"PDBC42804","674462","Present"
-"N-[(Z)-1-(1-Adamantyl)-3-(4-bromophenyl)iminoprop-1-enyl]-4-bromoaniline;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-(1-Adamantyl)-3-(4-bromophenyl)iminoprop-1-enyl]-4-bromoaniline;hydrochloride","","C1C2CC3CC1CC(C2)(C3)C(=CC=NC4=CC=C(C=C4)Br)NC5=CC=C(C=C5)Br.Cl","IDAQPYXNNGHEKM-DZQRZYCYSA-N","5471287",NA,"PDBC42805","710280","Present"
-"N-[(Z)-1-(1-Adamantyl)-3-phenyliminoprop-1-enyl]aniline;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-(1-Adamantyl)-3-phenyliminoprop-1-enyl]aniline;hydrochloride","","C1C2CC3CC1CC(C2)(C3)C(=CC=NC4=CC=CC=C4)NC5=CC=CC=C5.Cl","YQHJBQTWIQNKDT-UTXZMSSOSA-N","5471285",NA,"PDBC42806","710279","Present"
-"N-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3","USBSTTXNMOCCKC-ZHZULCJRSA-N","5386843",NA,"PDBC42807","618434","Present"
-"N-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-methoxyphenyl)ethenyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-methoxyphenyl)ethenyl]benzamide","","COC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4","SDSKUNAIXSLGMO-QNGOZBTKSA-N","5386844",NA,"PDBC42808","618436","Present"
-"N-[(Z)-1-(2-Pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; trichloroplatinum","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-(2-Pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; trichloroplatinum","","","","",NA,"PDBC42809","364433","Present"
-"N-[(Z)-1-(4-Methylphenyl)ethylideneamino]-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]anilino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-(4-Methylphenyl)ethylideneamino]-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]anilino]benzamide","","CC1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=C(C)C4=CC=C(C=C4)C)C","DLHOFGXRAAUKLY-MHCOGVSMSA-N","5493586",NA,"PDBC42810","698453","Present"
-"N-[(Z)-1-Dimethoxyphosphoryl-2-(3-trityl-1,2-dihydroimidazol-5-yl)ethenyl]formamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-Dimethoxyphosphoryl-2-(3-trityl-1,2-dihydroimidazol-5-yl)ethenyl]formamide","","COP(=O)(C(=CC1=CN(CN1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC=O)OC","WAEOKINVFKZWOU-ITYLOYPMSA-N","5468402",NA,"PDBC42811","669683","Present"
-"N-[(Z)-1-[(2-Tert-butylhydrazino)carbonyl]-2-(4-nitrophenyl)vinyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-[(2-Tert-butylhydrazino)carbonyl]-2-(4-nitrophenyl)vinyl]benzamide","","CC(C)(C)NNC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2","NYXYILHCWMNLJS-LGMDPLHJSA-N","6474139",NA,"PDBC42812","642630","Present"
-"N-[(Z)-1-[4-[(Z)-2-Benzamido-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-enyl]phenyl]-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-[4-[(Z)-2-Benzamido-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-enyl]phenyl]-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C(=O)NNC(=S)N)NC(=O)C3=CC=CC=C3)C(=O)NNC(=S)N","MVPRQODAEHJIRO-BMJUYKDLSA-N","6474143",NA,"PDBC42813","647248","Present"
-"N-[(Z)-1-{[2-(5-Chloro-6-hydroxypyridazin-4-yl)-2-methylhydrazino]carbonyl}-2-(4-chlorophenyl)vinyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-3-[2-(5-Chloro-6-oxo-1H-pyridazin-4-yl)-2-methylhydrazinyl]-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide","","CN(C1=C(C(=O)NN=C1)Cl)NC(=O)C(=CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3","DVEWTAYXRIPZNQ-WJDWOHSUSA-N","5467754",NA,"PDBC42814","658797","Present"
-"N-[(Z)-1-{[2-(7-Chloroquinolin-4-yl)-2-methylhydrazino]carbonyl}-2-(3,4-dimethoxyphenyl)vinyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-3-[2-(7-Chloroquinolin-4-yl)-2-methylhydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide","","CN(C1=C2C=CC(=CC2=NC=C1)Cl)NC(=O)C(=CC3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC=CC=C4","IVEJNJGPDVKCDI-HAHDFKILSA-N","5467810",NA,"PDBC42815","659397","Present"
-"N-[(Z)-1-{[2-(7-Chloroquinolin-4-yl)-2-methylhydrazino]carbonyl}-2-(4-hydroxyphenyl)vinyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-1-{[2-(7-Chloroquinolin-4-yl)-2-methylhydrazino]carbonyl}-2-(4-hydroxyphenyl)vinyl]benzamide","","CN(C1=C2C=CC(=CC2=NC=C1)Cl)NC(=O)C(=CC3=CC=C(C=C3)O)NC(=O)C4=CC=CC=C4","CSGFWVQUUMEHMU-HAHDFKILSA-N","6474146",NA,"PDBC42816","658345","Present"
-"N-[(Z)-1H-Indol-3-ylmethylideneamino]-2-nitroaniline","","","","","","","","","","","","","","","","","","","","N-[(Z)-1H-Indol-3-ylmethylideneamino]-2-nitroaniline","","C1=CC=C2C(=C1)C(=CN2)C=NNC3=CC=CC=C3[N+](=O)[O-]","JZUFKEQJFQIJPR-YVLHZVERSA-N","135545695",NA,"PDBC42817","135854","Present"
-"N-[(Z)-2-[2-[(Z)-2-Acetamido-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-2-[2-[(Z)-2-Acetamido-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]acetamide","","CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=CC=C3C=C(C4=NC5=C(N4)C=C(C(=C5)C)C)NC(=O)C)NC(=O)C","SPLJNJTWZWEWQS-VHUXLRGGSA-N","5386905",NA,"PDBC42818","618619","Present"
-"N-[(Z)-2-[4-(Acetylamino)phenyl]-1-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)vinyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-2-[4-(Acetylamino)phenyl]-1-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)vinyl]benzamide","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=CC2=CC=C(C=C2)NC(=O)C)NC(=O)C3=CC=CC=C3","XGWJBMBZOJGSOD-KQWNVCNZSA-N","5466764",NA,"PDBC42819","642623","Present"
-"N-[(Z)-2-[4-[(Z)-2-Benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-2-[4-[(Z)-2-Benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide","","CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)C=C(C4=NC5=C(N4)C=C(C=C5)C)NC(=O)C6=CC=CC=C6)C)NC(=O)C7=CC=CC=C7","HVLDVXZJLFFUDN-IEXCSMOPSA-N","5386833",NA,"PDBC42820","618403","Present"
-"N-[(Z)-3-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-4-phenylbut-2-en-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-3-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-4-phenylbut-2-en-2-yl]benzamide","","CC(=C(C1C(OC(O1)(C)C)C2COC(O2)(C)C)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4","RNQHJAUDECDLLW-DDVBNKGPSA-N","5471650",NA,"PDBC42821","712580","Present"
-"N-[(Z)-Anthracen-9-ylmethylideneamino]-N-ethylethanamine","","","","","","","","","","","","","","","","","","","","NSC680476","","CCN(CC)N=CC1=C2C=CC=CC2=CC3=CC=CC=C31","JBECARDKNUOKGS-ZHZULCJRSA-N","5918841",NA,"PDBC42822","680476","Present"
-"N-[(Z)-Pyrano[3,2-b]pyridin-4-ylideneamino]-4-pyrimidin-2-ylpiperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","(Z)-N'-(2H-pyrano[3,2-b]pyridin-4(3H)-ylidene)-4-(pyrimi...","","C1CN(CCN1C2=NC=CC=N2)C(=O)NN=C3C=COC4=C3N=CC=C4","CDIOIVMKMOUVRG-BKUYFWCQSA-N","155813572",NA,"PDBC42823","788437","Present"
-"N-[(Z)-[(E)-1-[4-Methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]-3-[4-[(E,3Z)-3-[4-methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]prop-1-enyl]phenyl]prop-2-enylidene]amino]-2-pyridin-1-ium-1-ylacetamide;chloride","","","","","","","","","","","","","","","","","","","","N-[(E)-[(E)-1-[4-Methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]-3-[4-[(E,3E)-3-[4-methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]prop-1-enyl]","","CC1=CC(=C(C=C1)NC2=NC(=C(S2)C(=NNC(=O)C[N+]3=CC=CC=C3)C=CC4=CC=C(C=C4)C=CC(=NNC(=O)C[N+]5=CC=CC=C5)C6=C(N=C(S6)NC7=C(C=C(C=C7)C)[N+](=O)[O-])C)C)[N+](=O)[O-].[Cl-]","CBIUPSAIZUTMSN-UHFFFAOYSA-O","54602069",NA,"PDBC42824","640342","Present"
-"N-[(Z)-[1-Amino-2-(4-chlorophenoxy)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[1-Amino-2-(4-chlorophenoxy)ethylidene]amino]pyridine-4-carboxamide","","C1=CC(=CC=C1OCC(=NNC(=O)C2=CC=NC=C2)N)Cl","AVFYIYMHWPKLIE-UHFFFAOYSA-N","5481626",NA,"PDBC42825","703880","Present"
-"N-[(Z)-[1-Amino-2-(4-methoxyphenoxy)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[1-Amino-2-(4-methoxyphenoxy)ethylidene]amino]pyridine-4-carboxamide","","COC1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N","CEUOXLGOEFVAJO-UHFFFAOYSA-N","5481623",NA,"PDBC42826","703879","Present"
-"N-[(Z)-[1-[4-Chloro-3-(trifluoromethyl)anilino]-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxobutan-2-ylidene]amino]-2-hydroxybenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[1-[4-Chloro-3-(trifluoromethyl)anilino]-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxobutan-2-ylidene]amino]-2-hydroxybenzamide","","CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)CC(=NNC(=O)C3=CC=CC=C3O)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","KLTYFQNERSSKLA-GXBUFBABSA-N","5839949",NA,"PDBC42827","635534","Present"
-"N-[(Z)-[2-(2-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(2-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","C1=CC=C(C(=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3)Cl","ACVSBESZIOOPFQ-RELUDPEDSA-N","9572116",NA,"PDBC42828","703891","Present"
-"N-[(Z)-[2-(2-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(2-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","C1=CC=C(C(=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3)Cl","JXDPXHLSNCLEIO-RELUDPEDSA-N","9572112",NA,"PDBC42829","703883","Present"
-"N-[(Z)-[2-(2-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(2-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","COC1=CC=CC=C1OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3","STSRMEPNXJONRQ-NBCNTDSCSA-N","9572118",NA,"PDBC42830","703894","Present"
-"N-[(Z)-[2-(2-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(2-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","COC1=CC=CC=C1OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","PMBZHMYWCRPFMV-NBCNTDSCSA-N","9572113",NA,"PDBC42831","703886","Present"
-"N-[(Z)-[2-(3-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(3-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","C1=CC(=CC(=C1)Cl)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3","YLYZKIDIQNIIFB-RELUDPEDSA-N","9572117",NA,"PDBC42832","703892","Present"
-"N-[(Z)-[2-(3-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(3-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","C1=CC(=CC(=C1)Cl)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","UNVKTRZHESONTG-RELUDPEDSA-N","5481634",NA,"PDBC42833","703884","Present"
-"N-[(Z)-[2-(3-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(3-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","COC1=CC(=CC=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3","NFTHDVCOGMUNIC-NBCNTDSCSA-N","9572119",NA,"PDBC42834","703895","Present"
-"N-[(Z)-[2-(3-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(3-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","COC1=CC(=CC=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","WQLIAEGRYIAAQM-NBCNTDSCSA-N","9572114",NA,"PDBC42835","703887","Present"
-"N-[(Z)-[2-(4-Acetamidophenoxy)-1-aminoethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(4-Acetamidophenoxy)-1-aminoethylidene]amino]pyridine-4-carboxamide","","CC(=O)NC1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N","FVGLANAIYYJKNU-UHFFFAOYSA-N","5481628",NA,"PDBC42836","703881","Present"
-"N-[(Z)-[2-(4-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(4-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","C1=CC(=CN=C1)C=NC(=NNC(=O)C2=CC=NC=C2)COC3=CC=C(C=C3)Cl","GQCQKHGHIULUAB-RELUDPEDSA-N","5481630",NA,"PDBC42837","703893","Present"
-"N-[(Z)-[2-(4-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(4-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","C1=CC(=CC=C1OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3)Cl","ASXGKTZMPMYHDS-RELUDPEDSA-N","5481635",NA,"PDBC42838","703885","Present"
-"N-[(Z)-[2-(4-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(4-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","COC1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3","PWVWHXBEWXVPTO-NBCNTDSCSA-N","9572120",NA,"PDBC42839","703896","Present"
-"N-[(Z)-[2-(4-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(4-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","COC1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","TXVAQYPAECVCPY-NBCNTDSCSA-N","5481633",NA,"PDBC42840","703888","Present"
-"N-[(Z)-[2-(4-Nitrophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-(4-Nitrophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","C1=CC(=CC=C1[N+](=O)[O-])OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","WDAMHJASFWQREE-LGPRKWHSSA-N","9572115",NA,"PDBC42841","703889","Present"
-"N-[(Z)-[2-Hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N'-(2-hydroxy-1-(6-nitro-3-oxo-3,4-dihydroquinoxalin-2-y...","","C1=CC(=CC=C1C(C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)O)[N+](=O)[O-]","NRXNHUUMJUALEI-ITYLOYPMSA-N","135499158",NA,"PDBC42842","641601","Present"
-"N-[(Z)-[2-Phenoxy-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-Phenoxy-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","C1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3","KNOYUSNIBWOQLM-TUTFOIQTSA-N","5481629",NA,"PDBC42843","703890","Present"
-"N-[(Z)-[2-Phenoxy-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[2-Phenoxy-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide","","C1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","GPXWFTSRQNAXKT-TUTFOIQTSA-N","9572111",NA,"PDBC42844","703882","Present"
-"N-[(Z)-[4-(4-Chlorophenyl)-3-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-2-[(4-oxo-3H-phthalazin-1-yl)oxy]acetamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-(4-Chlorophenyl)-3-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-2-[(4-oxo-3H-phthalazin-1-yl)oxy]acetamide","","CC1=CC=C(C=C1)N2C(=CSC2=NNC(=O)COC3=NNC(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl","SMICQSHPCSFKTM-ZXPTYKNPSA-N","9572699",NA,"PDBC42845","724513","Present"
-"N-[(Z)-[4-(4-Hydroxy-2-oxo-4a,8a-dihydrochromen-3-yl)-4-phenyl-3-(piperidin-1-ylmethyl)butan-2-ylidene]amino]-2-sulfamoylbenzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-(aminosulfonyl)-, 2-[[[1-methyl- 2-(2-ox...","","CC(=NNC(=O)C1=CC=CC=C1S(=O)(=O)N)C(CN2CCCCC2)C(C3=CC=CC=C3)C4=C(C5C=CC=CC5OC4=O)O.Cl","IDXQHBOWTQELJV-SWHIUVNFSA-N","54692924",NA,"PDBC42846","647408","Present"
-"N-[(Z)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide","","CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)NC3=CC(=NC=C3)C(F)(F)F)O","NQQWKMSKCBBMGF-FDVSRXAVSA-N","135968276",NA,"PDBC42847","747457","Present"
-"N-[(Z)-[4-Anilino-3-[(dibutylamino)methyl]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-Anilino-3-[(dibutylamino)methyl]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide","","CCCCN(CCCC)CC(C(=NNC(=O)C1=CC=NC=C1)C)C(=O)NC2=CC=CC=C2","JGTIVQGUKNVHLB-RRAHZORUSA-N","5868573",NA,"PDBC42848","641829","Present"
-"N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-chlorophenyl]methylideneamino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-chlorophenyl]methylideneamino]pyridine-3-carboxamide","","C1=CC(=CN=C1)C(=O)NN=CC2=C(C=C(C=C2)N(CCCl)CCCl)Cl","QSEQKPVQNFUNRE-UUYOSTAYSA-N","6252761",NA,"PDBC42849","101490","Present"
-"N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide","","CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=O)C2=CN=CC=C2","DASAJPZSXSWVBU-XKZIYDEJSA-N","5984534",NA,"PDBC42850","90903","Present"
-"N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-nitrophenyl]methylideneamino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-nitrophenyl]methylideneamino]pyridine-3-carboxamide","","C1=CC(=CN=C1)C(=O)NN=CC2=C(C=C(C=C2)N(CCCl)CCCl)[N+](=O)[O-]","QYXBSMWSAKGJML-MTJSOVHGSA-N","6154351",NA,"PDBC42851","103330","Present"
-"N-[(Z)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]...","","C1=CC(=CN=C1)C(=O)NN=CC2=CC=C(C=C2)N(CCCl)CCCl","COVXLRKMGDYPCL-MTJSOVHGSA-N","5867877",NA,"PDBC42852","90904","Present"
-"N-[(Z)-[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]methylideneamino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]methylideneamino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=CC2=C(C=C(C=C2)N(CCC#N)CCC#N)OC","VLCFCKBWQRVPES-XYGWBWBKSA-N","54612621",NA,"PDBC42853","706150","Present"
-"N-[(Z)-[Amino(pyridin-2-yl)methylidene]amino]-1,3-benzothiazole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[Amino(pyridin-2-yl)methylidene]amino]-1,3-benzothiazole-2-carboxamide","","C1=CC=C2C(=C1)N=C(S2)C(=O)NN=C(C3=CC=CC=N3)N","OXCNPSRJNIOXPR-UHFFFAOYSA-N","9572291",NA,"PDBC42854","710359","Present"
-"N-[(Z)-[Phenyl(pyridazin-3-yl)methylidene]amino]pyridin-2-amine","","","","","","","","","","","","","","","","","","","","N-[(Z)-[Phenyl(pyridazin-3-yl)methylidene]amino]pyridin-2-amine","","C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=NN=CC=C3","VPFCERLFGVKDAW-PGMHBOJBSA-N","6418605",NA,"PDBC42855","693623","Present"
-"N-[(Z)-[Phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","N-[(Z)-[Phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-4-amine","","C1=CC=C(C=C1)C(=NNC2=NC=NC=C2)C3=CC=CC=N3","GIWZVVFHOPDRFU-PGMHBOJBSA-N","5918602",NA,"PDBC42856","693619","Present"
-"N-[(Z)-[Phenyl(pyridin-2-yl)methylidene]amino]quinoxalin-2-amine","","","","","","","","","","","","","","","","","","","","N-[(Z)-[Phenyl(pyridin-2-yl)methylidene]amino]quinoxalin-2-amine","","C1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3N=C2)C4=CC=CC=N4","ABENIOILAHIGEQ-QQTULTPQSA-N","5869744",NA,"PDBC42857","693626","Present"
-"N-[(Z)-[Phenyl(pyrimidin-2-yl)methylidene]amino]pyrazin-2-amine","","","","","","","","","","","","","","","","","","","","N-[(Z)-[Phenyl(pyrimidin-2-yl)methylidene]amino]pyrazin-2-amine","","C1=CC=C(C=C1)C(=NNC2=NC=CN=C2)C3=NC=CC=N3","APLKMCNBLJUBDB-STZFKDTASA-N","5905062",NA,"PDBC42858","693621","Present"
-"N-[(Z)-[[(2-Chlorophenyl)diazenyl]-[4-(dimethylamino)phenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[(2-Chlorophenyl)diazenyl]-[4-(dimethylamino)phenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=CC=C3Cl","TZTVCXVGFZVWIZ-UVAYCXRGSA-N","135505191",NA,"PDBC42859","704098","Present"
-"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(2-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(2-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=CC=C3[N+](=O)[O-]","PBQCVPWSFJZYEV-WEHBVBAVSA-N","135505194",NA,"PDBC42860","704101","Present"
-"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC(=CC=C3)OC","FHXHOSMJBRZFCK-JZAMBYSNSA-N","135505192",NA,"PDBC42861","704099","Present"
-"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=CC(=C3)C","HYBJXCXREQRZMF-JZAMBYSNSA-N","135505189",NA,"PDBC42862","704096","Present"
-"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC(=CC=C3)[N+](=O)[O-]","IDTITUILFMAGOQ-WEHBVBAVSA-N","135505195",NA,"PDBC42863","704102","Present"
-"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=C(C=C3)OC","FAOHROBJSWOSPK-JZAMBYSNSA-N","135505193",NA,"PDBC42864","704100","Present"
-"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=C(C=C3)C","DKULMVZYSRSXNH-JZAMBYSNSA-N","135505190",NA,"PDBC42865","704097","Present"
-"N-[(Z)-[[4-(Dimethylamino)phenyl]-phenyldiazenylmethylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-(Dimethylamino)phenyl]-phenyldiazenylmethylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=CC=C3","AZBCJHFPGAWQEC-WEHBVBAVSA-N","135505188",NA,"PDBC42866","704095","Present"
-"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=CC=C3OC","QLQSGAWTYOFNDE-WVGCUDDDSA-N","135505183",NA,"PDBC42867","703552","Present"
-"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-chlorophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-chlorophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC(=CC=C3)Cl","MFWHYLWWGJORLW-BJPWPYEYSA-N","135505182",NA,"PDBC42868","703551","Present"
-"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC(=CC=C3)OC","MRLHGUOKJHYMTQ-WVGCUDDDSA-N","135505184",NA,"PDBC42869","703553","Present"
-"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=CC(=C3)C","NDPDYWVUYZSEAI-WVGCUDDDSA-N","135505180",NA,"PDBC42870","703549","Present"
-"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC(=CC=C3)[N+](=O)[O-]","TYNQHLZRBIDFPV-UTOKPOFNSA-N","135505185",NA,"PDBC42871","703554","Present"
-"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=C(C=C3)C","FSLXBXKPYUONSW-WVGCUDDDSA-N","135505181",NA,"PDBC42872","703550","Present"
-"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=C(C=C3)[N+](=O)[O-]","AINBTJJBNXYBOR-UTOKPOFNSA-N","135505186",NA,"PDBC42873","703555","Present"
-"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-phenyldiazenylmethylidene]amino]-4-methylbenzamide","","","","","","","","","","","","","","","","","","","","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-phenyldiazenylmethylidene]amino]-4-methylbenzamide","","CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=CC=C3","JWORRNRYVVPDNQ-UTOKPOFNSA-N","135505179",NA,"PDBC42874","703548","Present"
-"N-[(Z,3R)-5-Bromo-6-hydroxy-2-methylhex-4-en-3-yl]-2,4,6-trimethylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[(Z,3R)-5-Bromo-6-hydroxy-2-methylhex-4-en-3-yl]-2,4,6-trimethylbenzenesulfonamide","","CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(C=C(CO)Br)C(C)C)C","URTQCNHSZIOURW-OWTLUSIOSA-N","5471498",NA,"PDBC42875","711792","Present"
-"N-[1,1,4-Trioxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[1,1,4-trioxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazo...","","C1C(=O)N(C(S1(=O)=O)C2=CC=C(C=C2)C(F)(F)F)NC(=O)C3=CC=NC=C3","HVHMTMSZACZCNX-UHFFFAOYSA-N","361555",NA,"PDBC42876","624736","Present"
-"N-[1,3-Bis(1,10-phenanthrolin-3-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide","","","","","","","","","","","","","","","","","","","","N-[1,3-Bis(1,10-phenanthrolin-3-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCC(=O)NC(COC4=CN=C5C(=C4)C=CC6=C5N=CC=C6)COC7=CN=C8C(=C7)C=CC9=C8N=CC=C9","SSEIDWJZBCFIIL-UHFFFAOYSA-N","401239",NA,"PDBC42877","714446","Present"
-"N-[1,3-Bis(1,10-phenanthroline-2-yloxy)propane-2-yl]-6-(6-chloro-2-methoxyacridine-9-ylamino)hexanamide","","","","","","","","","","","","","","","","","","","","N-[1,3-Bis(1,10-phenanthrolin-2-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCC(=O)NC(COC4=NC5=C(C=CC6=C5N=CC=C6)C=C4)COC7=NC8=C(C=CC9=C8N=CC=C9)C=C7","IGUBIFVXZRAHFS-UHFFFAOYSA-N","401238",NA,"PDBC42878","714445","Present"
-"N-[1,3-e]-1,2,4-Thiadiazin-3-yl]-l-tryptophan methyl ester","","","","","","","","","","","","","","","","","","","","N-[1,1-Dioxo-2-(3-isopropoxyphenyl)-2H-pyrido[4,3-e]-1,2...","","CC(C)OC1=CC=CC(=C1)N2C(=NC(CC3=CNC4=CC=CC=C43)C(=O)OC)NC5=C(S2(=O)=O)C=NC=C5","XAWCDKPXEJBXGH-UHFFFAOYSA-N","135426717",NA,"PDBC42879","710902","Present"
-"N-[1,4-Dioxo-3-(pentan-2-ylamino)naphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[1,4-Dioxo-3-(pentan-2-ylamino)naphthalen-2-yl]acetamide","","CCCC(C)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","GSCFWULWWCZLND-UHFFFAOYSA-N","374266",NA,"PDBC42880","651767","Present"
-"N-[1,4-Dioxo-3-(pentan-3-ylamino)naphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[1,4-Dioxo-3-(pentan-3-ylamino)naphthalen-2-yl]acetamide","","CCC(CC)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","NLGZBVOCUVGDLH-UHFFFAOYSA-N","374267",NA,"PDBC42881","651768","Present"
-"N-[1,5-Bis(dimethylamino)pentan-3-ylidene]hydroxylamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC632836","","CN(C)CCC(=NO)CCN(C)C.Cl","IGCOKIBMCBNNGY-UHFFFAOYSA-N","365280",NA,"PDBC42882","632836","Present"
-"N-[1-(1-Benzothiophen-2-yl)cyclohexyl]cyclobutanecarboxamide","","","","","","","","","","","","","","","","","","","","N-[1-(1-Benzothiophen-2-yl)cyclohexyl]cyclobutanecarboxamide","","C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NC(=O)C4CCC4","KNTDRKOTMXQBBQ-UHFFFAOYSA-N","398380",NA,"PDBC42883","708093","Present"
-"N-[1-(1-Benzothiophen-2-yl)cyclohexyl]pentanamide","","","","","","","","","","","","","","","","","","","","N-[1-(1-Benzothiophen-2-yl)cyclohexyl]pentanamide","","CCCCC(=O)NC1(CCCCC1)C2=CC3=CC=CC=C3S2","ANMVVQHZFJQQJZ-UHFFFAOYSA-N","398381",NA,"PDBC42884","708094","Present"
-"N-[1-(1H-1,2,3-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1,3-butadien-1-yl]-2-methylaniline","","","","","","","","","","","","","","","","","","","","N-[1-(1H-1,2,3-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1,3-butadien-1-yl]-2-methylaniline","","CC1=CC=CC=C1NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","ACVLETOIFWZJNK-BMRADRMJSA-N","1618705",NA,"PDBC42885","698396","Present"
-"N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxyaniline","","","","","","","","","","","","","","","","","","","","N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxyaniline","","CC(C1=CC2=C(C=C1)OCCO2)NC3=CC(=C(C(=C3)OC)OC)OC","AEFITKCWECUSNC-UHFFFAOYSA-N","400585",NA,"PDBC42886","712708","Present"
-"N-[1-(2-Iodoethyl)-2-oxopyrimidin-4-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[1-(2-Iodoethyl)-2-oxopyrimidin-4-yl]benzamide","","C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CCI","MQQBFARDAOVEBU-UHFFFAOYSA-N","367645",NA,"PDBC42887","637523","Present"
-"N-[1-(4-Methoxyphenyl)-2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]ethyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[1-(4-Methoxyphenyl)-2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]ethyl]acetamide","","CC(=O)NC(CC1(SCCCS1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC","FWXAKPJMNPESII-UHFFFAOYSA-N","400148",NA,"PDBC42888","711642","Present"
-"N-[1-(6-Methylpyridin-2-yl)ethylideneamino]piperidine-1-carbothioamide","","","","","","","","","","","","","","","","","","","","1-Piperidinecarbothioic acid, 2-[1-(6-methyl- 2-pyridiny...","","CC1=NC(=CC=C1)C(=NNC(=S)N2CCCCC2)C","PVHGAKSBSCSRFX-FOWTUZBSSA-N","5494351",NA,"PDBC42889","673831","Present"
-"N-[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-5-nitro-1-benzothiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-5-nitro-1-benzothiophene-2-carboxamide","","CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-])S(=O)(=O)C6=CC=CC=C6","JBMHOLVQEZEKHB-UHFFFAOYSA-N","396964",NA,"PDBC42890","704201","Present"
-"N-[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylacetamide","","","","","","","","","","","","","","","","","","","","N-[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylacetamide","","CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)C(=O)C)S(=O)(=O)C4=CC=CC=C4","VDMDHQCHZWBPMT-UHFFFAOYSA-N","396962",NA,"PDBC42891","704199","Present"
-"N-[1-(Benzenesulfonyl)-7-hydroxy-3-methyl-4-nitroindol-5-yl]-N-prop-2-enylmethanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[1-(Benzenesulfonyl)-7-hydroxy-3-methyl-4-nitroindol-5-yl]-N-prop-2-enylmethanesulfonamide","","CC1=CN(C2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)O)S(=O)(=O)C3=CC=CC=C3","ZHCXIPBCTWDMAE-UHFFFAOYSA-N","396965",NA,"PDBC42892","704202","Present"
-"N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide","","","","","","","","","","","","","","","","","","","","N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide","","CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl","FBKXMUJLHIWBRY-UHFFFAOYSA-N","305114",NA,"PDBC42893","201863","Present"
-"N-[1-(Chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]-2-methyl-2-(2-nitrophenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-[1-(Chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]-2-methyl-2-(2-nitrophenyl)propanamide","","CC(C)(C1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C(CN3C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)C6=CC=CC=C62","NMYFNKLLVZCRID-UHFFFAOYSA-N","394231",NA,"PDBC42894","697535","Present"
-"N-[1-(Dimethylamino)propan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[1-(Dimethylamino)propan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide","","CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC(C)CN(C)C)C3=NC=CN3C","UFEFOKVSSLYKCY-UHFFFAOYSA-N","387305",NA,"PDBC42895","680998","Present"
-"N-[1-Di(propan-2-yloxy)phosphoryl-2-methylpropyl]-N-methyl-N'-(trifluoromethyl)carbamimidoyl fluoride","","","","","","","","","","","","","","","","","","","","N-[1-Di(propan-2-yloxy)phosphoryl-2-methylpropyl]-N-methyl-N'-(trifluoromethyl)carbamimidoyl fluoride","","CC(C)C(N(C)C(=NC(F)(F)F)F)P(=O)(OC(C)C)OC(C)C","JSCWFWFDRLWMFR-LDADJPATSA-N","9556221",NA,"PDBC42896","676749","Present"
-"N-[1-Methyl-3-[[[1-(chloromethyl)-5-amino-1,2-dihydro-3H-benzo[e]indole]-3-yl]carbonyl]-1H-pyrazole-5-yl]-1-methyl-5-(acetylamino)-1H-pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","5-Acetamido-N-[5-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methylpyrazol-3-yl]-1-methylpyrazole-3-carboxamide","","CC(=O)NC1=CC(=NN1C)C(=O)NC2=CC(=NN2C)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl","YVRXHFKLQALHEJ-UHFFFAOYSA-N","393071",NA,"PDBC42897","694456","Present"
-"N-[1-[(1S,3S,3Ar,6S,9aS,9bS)-6a-cyano-3,6-dimethyl-9-methylidene-2,3,3a,4,5,6,7,8,9a,9b-decahydro-1H-phenalen-1-yl]-2-methylpropan-2-yl]-2-(2-oxoazetidin-1-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-[1-[(1S,3S,3Ar,6S,9aS,9bS)-6a-cyano-3,6-dimethyl-9-methylidene-2,3,3a,4,5,6,7,8,9a,9b-decahydro-1H-phenalen-1-yl]-2-methylpropan-2-yl]-2-(2-oxoazetidin-1-yl)acetamide","","CC1CCC2C(CC(C3C2C1(CCC3=C)C#N)CC(C)(C)NC(=O)CN4CCC4=O)C","JOEBJSJEYONTJT-UDYRNDLXSA-N","54612874",NA,"PDBC42898","750224","Present"
-"N-[1-[2-(Methanesulfonamido)-1-naphthyl]-2-naphthyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[1-[2-(Methanesulfonamido)-1-naphthyl]-2-naphthyl]methanesulfonamide","","CS(=O)(=O)NC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)NS(=O)(=O)C","YOKOWCMGIZHOOH-UHFFFAOYSA-N","395339",NA,"PDBC42899","699821","Present"
-"N-[1-[3,4-Bis(phenylmethoxy)-5-prop-2-enylphenyl]-2-phenylethyl]propan-2-amine","","","","","","","","","","","","","","","","","","","","N-[1-[3,4-Bis(phenylmethoxy)-5-prop-2-enylphenyl]-2-phenylethyl]propan-2-amine","","CC(C)NC(CC1=CC=CC=C1)C2=CC(=C(C(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC=C","JWNPXNFTECCZRN-UHFFFAOYSA-N","381714",NA,"PDBC42900","668574","Present"
-"N-[1-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-(4-benzoylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[1-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-(4-benzoylphenyl)acetamide","","CSCCC(C(=O)N1CCN(CC1)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)NC(=O)CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6","BSQFXUZPQUWGGO-UHFFFAOYSA-N","386759",NA,"PDBC42901","679438","Present"
-"N-[1-[5-(Hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-(1-(5-(Hydroxymethyl)tetrahydro-2-furanyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide","","C1CC(OC1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3","YGZQYMMFALYKCO-UHFFFAOYSA-N","357106",NA,"PDBC42902","614939","Present"
-"N-[1-[[1-[(1,6-Diamino-1-oxohexan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-[[3-methyl-2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]butanoyl]amino]acetyl]amino]butanediamide","","","","","","","","","","","","","","","","","","","","N-[1-[[1-[(1,6-Diamino-1-oxohexan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-[[3-methyl-2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]butanoyl]amino]ac","","CCC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N)NC(=O)C1CCCN1","POVDHFNXSAMENB-UHFFFAOYSA-N","398172",NA,"PDBC42903","707764","Present"
-"N-[1-[[1-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-[[2-[[2-[[1-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]butanediamide","","","","","","","","","","","","","","","","","","","","N-[1-[[1-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-[[2-[[2-[[1-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-4-m","","CCC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)N","RYVZIURKWWTGGO-UHFFFAOYSA-N","398174",NA,"PDBC42904","707766","Present"
-"N-[1-[[2-[[1-[[1-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[1-[[2-[[1-[[1-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[(2-amino-3-phenylpropan","","CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)N","OXCIAAVXNZLRRL-UHFFFAOYSA-N","398171",NA,"PDBC42905","707763","Present"
-"N-[1-{1-[2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-(4-phosphonomethyl-phenyl)-ethyl]-oxalamic acid","","","","","","","","","","","","","","","","","","","","2-[[(2S)-1-[[1-[[(2S)-4-Amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-1-oxo-3-[4-(phosphonomethyl)phenyl]propan-2-yl]amino]-2-oxoacetic acid","","C1CCC(CC1)(C(=O)NC(CC(=O)N)C(=O)NCCCC2=CC=CC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)CP(=O)(O)O)NC(=O)C(=O)O","LBUZYNYSEBMSDQ-VMPREFPWSA-N","398462",NA,"PDBC42906","708238","Present"
-"N-[12-(Naphthalene-1-carbonylamino)dodecyl]naphthalene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[12-(Naphthalene-1-carbonylamino)dodecyl]naphthalene-1-carboxamide","","C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCCCCCCCNC(=O)C3=CC=CC4=CC=CC=C43","NLPMTOQOCINRLW-UHFFFAOYSA-N","364098",NA,"PDBC42907","629739","Present"
-"N-[12-(Quinoxaline-2-carbonylamino)dodecyl]quinoxaline-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[12-(Quinoxaline-2-carbonylamino)dodecyl]quinoxaline-2-carboxamide","","C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCCCCCCCCCCCCNC(=O)C3=NC4=CC=CC=C4N=C3","IKEVYAJEWGPHAY-UHFFFAOYSA-N","364903",NA,"PDBC42908","631731","Present"
-"N-[17-(Benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-6-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[17-(Benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-6-yl]acetamide","","CC(=O)NC1=NC2=NC3=C(C=C2C=C1)N(C4=C3C=CC=N4)S(=O)(=O)C5=CC=CC=C5","LKFOTCDUWPISCJ-UHFFFAOYSA-N","387557",NA,"PDBC42909","681480","Present"
-"N-[2'-(13'H-Dibenzo[a,4-dicarboximide hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2'-(13'H-Dibenzo[a,g]-fluorenyl)]-4-(4'N-methyl-piper...","","CN1CCN(CC1)C(=O)CCC(=O)NC2=CC3=C(C4=C(C3)C5=CC=CC=C5C=C4)C6=CC=CC=C62.Cl","DIMUALIBIUKIQI-UHFFFAOYSA-N","404334",NA,"PDBC42910","720532","Present"
-"N-[2'-13H-Dibenzo[a,4-diamine","","","","","","","","","","","","","","","","","","","","N-[2'-13H-Dibenzo[a,g]-fluorenyl]-4-(l'-piperidinyl)-but...","","C1CCN(CC1)CCCCNC2=CC=CC3=C2C=CC4=C3C5=C(C4)C6=CC=CC=C6C=C5","CTZBNOXRJCJOHE-UHFFFAOYSA-N","24203670",NA,"PDBC42911","729110","Present"
-"N-[2,2,2-Trichloro-1-[(3-oxo-1,4-benzoxazin-4-yl)oxy]ethyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2,2,2-Trichloro-1-[(3-oxo-1,4-benzoxazin-4-yl)oxy]ethyl]acetamide","","CC(=O)NC(C(Cl)(Cl)Cl)ON1C(=O)COC2=CC=CC=C21","ABRCGZKQANLGTM-UHFFFAOYSA-N","367948",NA,"PDBC42912","638152","Present"
-"N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[6-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,6-dioxohexyl]-1H-benzo[e]indole-7-yl]acetamide","","","","","","","","","","","","","","","","","","","","Tert-butyl 7-[[6-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate","","CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O","DEQTWOWKTWQYEE-UHFFFAOYSA-N","400181",NA,"PDBC42913","711694","Present"
-"N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[7-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,7-dioxoheptyl]-1H-benzo[e]indole-7-yl]acetamide","","","","","","","","","","","","","","","","","","","","Tert-butyl 7-[[7-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-7-oxoheptanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate","","CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O","HFBVJCULYWSBPU-UHFFFAOYSA-N","400182",NA,"PDBC42914","711695","Present"
-"N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[8-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,8-dioxooctyl]-1H-benzo[e]indole-7-yl]acetamide","","","","","","","","","","","","","","","","","","","","Tert-butyl 7-[[8-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-8-oxooctanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate","","CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O","OIJQNOUPXVOYPM-UHFFFAOYSA-N","400183",NA,"PDBC42915","711696","Present"
-"N-[2,3-Dimethoxy-5-(propylcarbamoyl)phenyl]-3,4-dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[2,3-Dimethoxy-5-(propylcarbamoyl)phenyl]-3,4-dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide","","CCCNC(=O)C1=CC(=C(C(=C1)OC)OC)NC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)C=CC3=CC=CC=C3","KCCMSQCLVJCVDU-OUKQBFOZSA-N","5472391",NA,"PDBC42916","718306","Present"
-"N-[2,5-Bis[(dimethylamino)methyl]cyclopentylidene]hydroxylamine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC640392","","CN(C)CC1CCC(C1=NO)CN(C)C.Cl","IVHBJNGJWYCCPA-UHFFFAOYSA-N","368965",NA,"PDBC42917","640392","Present"
-"N-[2,5-Dimethoxy-4-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]sulfamoyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2,5-Dimethoxy-4-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]sulfamoyl]phenyl]acetamide","","CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)NN=CC=CC2=CC=CC=C2)OC","ZXILGYZDVQAFMR-OZNFINNBSA-N","9572438",NA,"PDBC42918","716178","Present"
-"N-[2,6-Bis(1-methylethyl)phenyl]-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2,4-dioxo-6-phenylhexanamide","","","","","","","","","","","","","","","","","","","","N-[2,6-Bis(1-methylethyl)phenyl]-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2,4-dioxo-6-phenylhexanamide","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","DJDZPJCHQJIERW-UHFFFAOYSA-N","54677090",NA,"PDBC42919","647086","Present"
-"N-[2,6-Di(propan-2-yl)phenyl]-2,4-dioxo-4-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-[2,6-Di(propan-2-yl)phenyl]-2,4-dioxo-4-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)butanamide","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C","NOENCWFNUILGAM-UHFFFAOYSA-N","364330",NA,"PDBC42920","630345","Present"
-"N-[2,6-Dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","~{N}-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethyl-benzoyl)ph...","","CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)NC(=O)C)OC","XJYLHXHKUVWDGK-UHFFFAOYSA-N","155805829",NA,"PDBC42921","797555","Present"
-"N-[2,8-Naphthalimide","","","","","","","","","","","","","","","","","","","","N-[2,4-Dinitro-1-anilino]-3-nitro-1,8-naphthalimide","","C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","SUXVUHFSCDKTPS-UHFFFAOYSA-N","386722",NA,"PDBC42922","679265","Present"
-"N-[2-(1H-Imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-11,12,13,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaen-16-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-[2-(1H-Imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-11,12,13,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaen-16-yl)butanamide","","C1=CC=C(C=C1)C2=C3N(C4=C(C(=O)N3N=N2)SC5=CC=CC=C54)CCCC(=O)NCCC6=CN=CN6","HTOXOOTVEVUPLA-UHFFFAOYSA-N","45029440",NA,"PDBC42923","746807","Present"
-"N-[2-(1H-Imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-16-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-[2-(1H-Imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-16-yl)butanamide","","C1=CC=C(C=C1)C2=C3N(C4=C(C(=O)N3N=N2)SC5=C4C=CC=N5)CCCC(=O)NCCC6=CN=CN6","MAQOACLTLXOGNA-UHFFFAOYSA-N","60148353",NA,"PDBC42924","754175","Present"
-"N-[2-(1H-Imidazol-5-yl)ethyl]-4-(8-oxo-5-phenyl-10-thia-2,3,4,7-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11,13,15-hexaen-7-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-[2-(1H-Imidazol-5-yl)ethyl]-4-(8-oxo-5-phenyl-10-thia-2,3,4,7-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11,13,15-hexaen-7-yl)butanamide","","C1=CC=C(C=C1)C2=C3N(C(=O)C4=C(N3N=N2)C5=CC=CC=C5S4)CCCC(=O)NCCC6=CN=CN6","HNIQIFJOXBLFKR-UHFFFAOYSA-N","45029442",NA,"PDBC42925","746809","Present"
-"N-[2-(1H-Indol-3-yl)ethyl]-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[2-(1H-Indol-3-yl)ethyl]-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide","","CC(=CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=CNC4=CC=CC=C43","OMTAJWKVMRUJTG-LVZFUZTISA-N","5470474",NA,"PDBC42926","702120","Present"
-"N-[2-(1H-Indol-3-yl)ethyl]-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[2-(1H-Indol-3-yl)ethyl]-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide","","C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54","HPZVDVCNPNHIHM-XMHGGMMESA-N","5470491",NA,"PDBC42927","702137","Present"
-"N-[2-(1H-Indole-3-yl)ethyl]-4-[[[3-[4-(benzyloxy)phenyl]acryloyl]amino]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[2-(1H-Indole-3-yl)ethyl]-4-[[[3-[4-(benzyloxy)phenyl]acryloyl]amino]methyl]benzamide","","C1=CC=C(C=C1)COC2=CC=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54","ZSYCJKUTPWYRGG-XMHGGMMESA-N","5470479",NA,"PDBC42928","702125","Present"
-"N-[2-(2,3-Dihydro-1H-indol-3-yl)ethyl]-1,1-diphenylmethanimine","","","","","","","","","","","","","","","","","","","","N-[2-(2,3-Dihydro-1H-indol-3-yl)ethyl]-1,1-diphenylmethanimine","","C1C(C2=CC=CC=C2N1)CCN=C(C3=CC=CC=C3)C4=CC=CC=C4","KKCNSEKJQSXFBR-UHFFFAOYSA-N","394101",NA,"PDBC42929","697238","Present"
-"N-[2-(2,4-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(2,4-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","CC1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C(C3=CC=CC=C3)O","XHLJCLCTQMVOCX-UHFFFAOYSA-N","24205434",NA,"PDBC42930","735528","Present"
-"N-[2-(2,4-Dimethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl)phenyl]-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(2,4-Dimethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl)phenyl]-2,2,2-trifluoroacetamide","","CN1C(=O)C(=NN(C1=S)C)C2=CC=CC=C2NC(=O)C(F)(F)F","AWDXZEUFEXZYTQ-UHFFFAOYSA-N","360750",NA,"PDBC42931","623089","Present"
-"N-[2-(2,5-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(2,5-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","COC1=CC(=C(C=C1)OC)C2N(C(=O)CS2)NC(=O)C(C3=CC=CC=C3)O","CRRJVMATWNWHII-UHFFFAOYSA-N","24205431",NA,"PDBC42932","735525","Present"
-"N-[2-(2,6-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(2,6-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)NC(=O)C(C3=CC=CC=C3)O","PVNZXBCOVLUARR-UHFFFAOYSA-N","24205430",NA,"PDBC42933","735524","Present"
-"N-[2-(2,6-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(2,6-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","CC1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)NC(=O)C(C3=CC=CC=C3)O","BINCBCDOTCQHHB-UHFFFAOYSA-N","24205503",NA,"PDBC42934","736057","Present"
-"N-[2-(2,6-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(2,6-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide","","CC1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)NC(=O)C3=C(C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5","ZVLPUMJTGAXOLR-UHFFFAOYSA-N","60147755",NA,"PDBC42935","752361","Present"
-"N-[2-(2-Acetyl-6-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Acetyl-6-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide","","CC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)CCNS(=O)(=O)C3=CC=CC=C3","PLFZBJVALXJHEG-UHFFFAOYSA-N","396767",NA,"PDBC42936","703546","Present"
-"N-[2-(2-Acetyl-6-methoxy-7-nitro-1H-indol-3-yl)ethyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Acetyl-6-methoxy-7-nitro-1H-indol-3-yl)ethyl]benzenesulfonamide","","CC(=O)C1=C(C2=C(N1)C(=C(C=C2)OC)[N+](=O)[O-])CCNS(=O)(=O)C3=CC=CC=C3","XOPILLUOEYVAQW-UHFFFAOYSA-N","363627",NA,"PDBC42937","628656","Present"
-"N-[2-(2-Aminoethylcarbamoyl)phenyl]-3,5-ditert-butylbenzamide","","","","","","","","","","","","","","","","","","","","N-(2-((2-aminoethyl)carbamoyl)phenyl)-3,5-di-tert-butylb...","","CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCCN)C(C)(C)C","DXPZNYLWMZPESQ-UHFFFAOYSA-N","134132690",NA,"PDBC42938","783188","Present"
-"N-[2-(2-Chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","CC1C(=O)N(C(S1)C2=CC=CC=C2Cl)NC(=O)C(C3=CC=CC=C3)O","JEIJVSJUJFPISM-UHFFFAOYSA-N","24205498",NA,"PDBC42939","736052","Present"
-"N-[2-(2-Hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide","","C1=CC=C2C(=C1)C=C3N(C2=O)C4=C(O3)C=CC(=C4)C(=O)NCCNCCO","TWLTWIQZWZTITM-UHFFFAOYSA-N","24203804",NA,"PDBC42940","729609","Present"
-"N-[2-(2-Hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide","","C1=CC=C2C(=C1)C=C3N(C2=O)C4=C(O3)C=C(C=C4)C(=O)NCCNCCO","YOXPEXDWXAKPDW-UHFFFAOYSA-N","24203801",NA,"PDBC42941","729606","Present"
-"N-[2-(2-Hydroxyethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(2-Hydroxyethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride","","C1=CC=C(C=C1)C2=NC3=C(C=CC=C3C(=O)NCCNCCO)C=C2.Cl","YXCRIXMUUUTSDJ-UHFFFAOYSA-N","358093",NA,"PDBC42942","617940","Present"
-"N-[2-(2-Hydroxyethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Hydroxyethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide","","COC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)C(=O)NCCNCCO)C4=CC=CC=C4","UAGXHPABIXCVMP-UHFFFAOYSA-N","24205374",NA,"PDBC42943","735325","Present"
-"N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]-2-nitro-1H-imidazole-1-hexanamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]-6-(2-nitroimidazol-1-yl)hexanamide","","CC1=NC=C(N1CCNC(=O)CCCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","WRXSMKZZMUUQDT-UHFFFAOYSA-N","369982",NA,"PDBC42944","642500","Present"
-"N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]-2-nitro-1H-imidazole-1-pentanamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5-(2-nitro-1H-imidazol-1-yl)pentanamide","","CC1=NC=C(N1CCNC(=O)CCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","QRJAWFYCJLNBRT-UHFFFAOYSA-N","369983",NA,"PDBC42945","642501","Present"
-"N-[2-(2-Methyl-5-nitroimidazol-1H-yl)ethyl]-N-[4-(2-nitroimidazol-1H-yl)butylamine hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-N- [4-(2-nit...","","CC1=NC=C(N1CCNCCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-].Cl","RRRGNMOCYXWBBV-UHFFFAOYSA-N","378468",NA,"PDBC42946","661070","Present"
-"N-[2-(2-Nitro-1H-imidazol-1-yl)ethyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-[2-(2-Nitro-1H-imidazol-1-yl)ethyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide","","C1=CN(C(=N1)[N+](=O)[O-])CCNC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]","RZKBUFKYBPMEOX-UHFFFAOYSA-N","372715",NA,"PDBC42947","648275","Present"
-"N-[2-(3,4-Dichlorophenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dichlorophenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","C1C(=O)N(C(S1(=O)=O)C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3","MTQYVTJOHZRLPY-UHFFFAOYSA-N","361553",NA,"PDBC42948","624734","Present"
-"N-[2-(3,4-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","C1C(=O)N(C(S1)C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3","KGOBGORXEZGSQW-UHFFFAOYSA-N","361549",NA,"PDBC42949","624730","Present"
-"N-[2-(3,4-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","CC1C(=O)N(C(S1)C2=CC(=C(C=C2)Cl)Cl)NC(=O)C(C3=CC=CC=C3)O","JWOJCQDWXFWIFL-UHFFFAOYSA-N","24205435",NA,"PDBC42950","735529","Present"
-"N-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide","","CN(CCC1=CC(=C(C=C1)Cl)Cl)CCN(C)CCN2CCCC2.Br","GZOZYVORHNTUAR-UHFFFAOYSA-N","398585",NA,"PDBC42951","708550","Present"
-"N-[2-(3,4-Dihydroxy-phenyl)-ethyl]-2-phenyl-acetamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dihydroxy-phenyl)-ethyl]-2-phenyl-acetamide","","C1=CC=C(C=C1)CC(=O)NCCC2=CC(=C(C=C2)O)O","GGGICHWZMLXHLJ-UHFFFAOYSA-N","383147",NA,"PDBC42952","671188","Present"
-"N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-phenylpropanamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-phenylpropanamide","","C1=CC=C(C=C1)CCC(=O)NCCC2=CC(=C(C=C2)O)O","AQTKQQPTLASVMQ-UHFFFAOYSA-N","383148",NA,"PDBC42953","671189","Present"
-"N-[2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","COC1=C(C=C(C=C1)C2N(C(=O)CS2)NC(=O)C(C3=CC=CC=C3)O)OC","LSEJKZMVJAKZTF-UHFFFAOYSA-N","24205504",NA,"PDBC42954","736058","Present"
-"N-[2-(3,4-Dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","CC1C(=O)N(C(S1)C2=CC(=C(C=C2)OC)OC)NC(=O)C(C3=CC=CC=C3)O","GSCCOXDKJGQNGP-UHFFFAOYSA-N","24205502",NA,"PDBC42955","736056","Present"
-"N-[2-(3,4-Dimethoxyphenyl)ethyl]-11H-indolo[3,2-c]quinolin-6-amine","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dimethoxyphenyl)ethyl]-11H-indolo[3,2-c]quinolin-6-amine","","COC1=C(C=C(C=C1)CCNC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4)OC","QPLKYWUHABWZHD-UHFFFAOYSA-N","24205775",NA,"PDBC42956","736610","Present"
-"N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[2-(2-hydroxyethyl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[2-(2-hydroxyethyl)phenyl]acetamide","","COC1=C(C=C(C=C1)CCNC(=O)CC2=CC=CC=C2CCO)OC","IWCGFEIBRZDSGB-UHFFFAOYSA-N","390006",NA,"PDBC42957","686929","Present"
-"N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[2-(hydroxymethyl)phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[2-(hydroxymethyl)phenyl]propanamide","","COC1=C(C=C(C=C1)CCNC(=O)CCC2=CC=CC=C2CO)OC","LRQXTYHYVUYFHP-UHFFFAOYSA-N","390004",NA,"PDBC42958","686927","Present"
-"N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-[2-(3,4-dimethoxyphenyl)ethylimino]pyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-[2-(3,4-dimethoxyphenyl)ethylimino]pyrrolidine-2-carboxamide","","COC1=C(C=C(C=C1)CCNC(=O)C2CCC(=NCCC3=CC(=C(C=C3)OC)OC)N2)OC","QPPBYFSCNRAUAR-UHFFFAOYSA-N","135503470",NA,"PDBC42959","636831","Present"
-"N-[2-(3,5-Dioxo-1,2,4-triazin-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-(3,5-Dioxo-1,2,4-triazin-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide","","CC(=O)NC1C(C(C(OC1N2C(=O)NC(=O)C=N2)CO)O)O","CDXWGODPHKIAQE-UHFFFAOYSA-N","388570",NA,"PDBC42960","683581","Present"
-"N-[2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","C1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)NC(=O)C(C3=CC=CC=C3)O","ITYDRUMOLMRJIK-UHFFFAOYSA-N","24205429",NA,"PDBC42961","735523","Present"
-"N-[2-(3-Chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(3-Chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","CC1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)NC(=O)C(C3=CC=CC=C3)O","WWGFKIOHEPPWPI-UHFFFAOYSA-N","24205433",NA,"PDBC42962","735527","Present"
-"N-[2-(3-Fluoro-4-methoxyphenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(3-Fluoro-4-methoxyphenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","COC1=C(C=C(C=C1)C2N(C(=O)CS2(=O)=O)NC(=O)C3=CC=NC=C3)F","TUSBLEDSMUAGJR-UHFFFAOYSA-N","361556",NA,"PDBC42963","624737","Present"
-"N-[2-(3-Fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(3-Fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","COC1=C(C=C(C=C1)C2N(C(=O)CS2)NC(=O)C3=CC=NC=C3)F","SFAZIUVQLCLFEE-UHFFFAOYSA-N","361552",NA,"PDBC42964","624733","Present"
-"N-[2-(3-Fluorophenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(3-Fluorophenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)F)NC(=O)C3=CC=NC=C3","BVTDBDGOQWNDBA-UHFFFAOYSA-N","361554",NA,"PDBC42965","624735","Present"
-"N-[2-(3-Fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(3-Fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","C1C(=O)N(C(S1)C2=CC(=CC=C2)F)NC(=O)C3=CC=NC=C3","CBBPXKOLYJNDME-UHFFFAOYSA-N","361550",NA,"PDBC42966","624731","Present"
-"N-[2-(3-Methylquinoxalin-2-yl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-(3-Methylquinoxalin-2-yl)phenyl]acetamide","","CC1=NC2=CC=CC=C2N=C1C3=CC=CC=C3NC(=O)C","VGYLVFVRZJQRIO-UHFFFAOYSA-N","360052",NA,"PDBC42967","621850","Present"
-"N-[2-(3-Phenylquinoxalin-2-yl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-(3-Phenylquinoxalin-2-yl)phenyl]acetamide","","CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4","AQMMQQFJLXDLLR-UHFFFAOYSA-N","360053",NA,"PDBC42968","621851","Present"
-"N-[2-(4,6-Diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","Benzenesulfonamide, N-[2-(4,6-diamino-1,3,5-triazin-2-yl...","","C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]","PPXBIGZLUXRESK-UHFFFAOYSA-N","320647",NA,"PDBC42969","268907","Present"
-"N-[2-(4-Amino-1-benzoylpiperidin-4-yl)ethyl]benzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(4-Amino-1-benzoylpiperidin-4-yl)ethyl]benzamide;hydrochloride","","C1CN(CCC1(CCNC(=O)C2=CC=CC=C2)N)C(=O)C3=CC=CC=C3.Cl","LFUZSJNPOKNCHI-UHFFFAOYSA-N","387114",NA,"PDBC42970","680509","Present"
-"N-[2-(4-Benzyloxyphenyl)-5-methyl-4-oxo-1,2-diphenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-benzyloxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-...","","CC1C(=O)N(C(S1)C2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O","ICAMLSIMIJRSTJ-UHFFFAOYSA-N","44537872",NA,"PDBC42971","742821","Present"
-"N-[2-(4-Chlorophenoxy)-2-methylpropanoyl]-N,4-diphenylpiperazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-Chlorophenoxy)-2-methylpropanoyl]-N,4-diphenylpiperazine-1-carboxamide","","CC(C)(C(=O)N(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)OC4=CC=C(C=C4)Cl","MWWOKXDSGYQQLZ-UHFFFAOYSA-N","401351",NA,"PDBC42972","714663","Present"
-"N-[2-(4-Chlorophenyl)-1-diethoxyphosphorylethyl]-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-Chlorophenyl)-1-diethoxyphosphorylethyl]-4-methylbenzenesulfonamide","","CCOP(=O)(C(CC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)C)OCC","GJASHCSKGPMDQN-UHFFFAOYSA-N","397483",NA,"PDBC42973","705531","Present"
-"N-[2-(4-Chlorophenyl)-4-oxo-1,2-a]pyridin-3-yl)urea","","","","","","","","","","","","","","","","","","","","N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N'-(2-...","","CC1=C(N2C=CC=CC2=N1)NC(=O)NN3C(SCC3=O)C4=CC=C(C=C4)Cl","MDFHVYCNWPNOPI-UHFFFAOYSA-N","24205494",NA,"PDBC42974","736048","Present"
-"N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)propanamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)propanamide","","CC(C(=O)NN1C(SCC1=O)C2=CC=C(C=C2)Cl)OC3=C(C=C(C=C3)Cl)Cl","HZCQMBRMJMLBOO-UHFFFAOYSA-N","397262",NA,"PDBC42975","704790","Present"
-"N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)propanamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)propanamide","","CC1=CC=CC=C1OC(C)C(=O)NN2C(SCC2=O)C3=CC=C(C=C3)Cl","HGPVDLJIOFSPSP-UHFFFAOYSA-N","397265",NA,"PDBC42976","704793","Present"
-"N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide","","C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5","PZOIITMEEVXZSU-UHFFFAOYSA-N","45029379",NA,"PDBC42977","746588","Present"
-"N-[2-(4-Fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-Fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","C1C(=O)N(C(S1)C2=CC=C(C=C2)F)NC(=O)C(C3=CC=CC=C3)O","QFVUPBNMXQOHFT-UHFFFAOYSA-N","24205496",NA,"PDBC42978","736050","Present"
-"N-[2-(4-Fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-Fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide","","CC1C(=O)N(C(S1)C2=CC=C(C=C2)F)NC(=O)C(C3=CC=CC=C3)O","YZHBAQRAWIXGAQ-UHFFFAOYSA-N","24205499",NA,"PDBC42979","736053","Present"
-"N-[2-(4-Methoxyphenyl)-4-oxo-1,2-a]pyridin-3-yl)urea","","","","","","","","","","","","","","","","","","","","N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N'-(2...","","CC1=C(N2C=CC=CC2=N1)NC(=O)NN3C(SCC3=O)C4=CC=C(C=C4)OC","CSWCCLZIOBHOJN-UHFFFAOYSA-N","24205495",NA,"PDBC42980","736049","Present"
-"N-[2-(4-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)propanamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)propanamide","","CC1=CC=CC=C1OC(C)C(=O)NN2C(SCC2=O)C3=CC=C(C=C3)OC","HUCRQKDYSDEQSW-UHFFFAOYSA-N","397264",NA,"PDBC42981","704792","Present"
-"N-[2-(4-Methylmorpholin-4-ium-4-yl)ethyl]-2-(2-octadecoxyphenyl)acetamide","","","","","","","","","","","","","","","","","","","","~{N}-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-(2-octade...","","CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(=O)NCC[N+]2(CCOCC2)C","JCNZLEGQKBSCPN-UHFFFAOYSA-O","155813999",NA,"PDBC42982","802623","Present"
-"N-[2-(4-Nitrophenoxy)ethyl]naphthalen-1-amine;hydrobromide","","","","","","","","","","","","","","","","","","","","N-[2-(4-Nitrophenoxy)ethyl]naphthalen-1-amine;hydrobromide","","C1=CC=C2C(=C1)C=CC=C2NCCOC3=CC=C(C=C3)[N+](=O)[O-].Br","RYCKIDUFNPPZAF-UHFFFAOYSA-N","368364",NA,"PDBC42983","639221","Present"
-"N-[2-(5-Chloro-1H-indol-3-yl)ethyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide","","CC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl","WJIFPSFOSMKSAB-UHFFFAOYSA-N","384240",NA,"PDBC42984","673655","Present"
-"N-[2-(5-Methoxy-1H-indol-2-yl)ethyl]-3,5-dinitrobenzamide","","","","","","","","","","","","","","","","","","","","N-[2-(5-Methoxy-1H-indol-2-yl)ethyl]-3,5-dinitrobenzamide","","COC1=CC2=C(C=C1)NC(=C2)CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","HVMXMKUOWKBJKD-UHFFFAOYSA-N","403861",NA,"PDBC42985","719394","Present"
-"N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]decanamide","","","","","","","","","","","","","","","","","","","","N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]decanamide","","CCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)OC","ZQDNPMICNHANPT-UHFFFAOYSA-N","395811",NA,"PDBC42986","700699","Present"
-"N-[2-(6-Aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[2-(6-Aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC2N3C=NC4=C(N=CN=C43)N)CO)O","CBIKVSKUBAWMSA-UHFFFAOYSA-N","386217",NA,"PDBC42987","677933","Present"
-"N-[2-(6-Benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-(6-Benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide","","CC(=O)NC1C(C(C(OC1N2C(=O)NC(=O)C(=N2)SCC3=CC=CC=C3)CO)O)O","HQQVTSYFQOLPBF-UHFFFAOYSA-N","388569",NA,"PDBC42988","683580","Present"
-"N-[2-(9-Acridinylamino)ethyl]-3,5-bis(acetoxymethyl)-4-(tert-butyldimethylsiloxy)benzenepropionamide","","","","","","","","","","","","","","","","","","","","[3-(Acetyloxymethyl)-5-[3-[2-(acridin-9-ylamino)ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate","","CC(=O)OCC1=CC(=CC(=C1O[Si](C)(C)C(C)(C)C)COC(=O)C)CCC(=O)NCCNC2=C3C=CC=CC3=NC4=CC=CC=C42","RCXIMFDNOLTJQC-UHFFFAOYSA-N","403765",NA,"PDBC42989","719209","Present"
-"N-[2-(Acridin-9-ylamino)ethyl]-3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[2-(Acridin-9-ylamino)ethyl]-3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propanamide","","CC1=CC(=CC(=C1O[Si](C)(C)C(C)(C)C)C)CCC(=O)NCCNC2=C3C=CC=CC3=NC4=CC=CC=C42","GMNIUCYLNVVSJS-UHFFFAOYSA-N","403766",NA,"PDBC42990","719210","Present"
-"N-[2-(Benzenesulfonyl)phenyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[2-(Benzenesulfonyl)phenyl]benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3","JLXKFEGDJFIZRY-UHFFFAOYSA-N","399368",NA,"PDBC42991","710076","Present"
-"N-[2-(Cyclohexen-1-yl)ethyl]-1,1-dimethoxymethanimine","","","","","","","","","","","","","","","","","","","","N-[2-(Cyclohexen-1-yl)ethyl]-1,1-dimethoxymethanimine","","COC(=NCCC1=CCCCC1)OC","BLXNEGOEKQVTBH-UHFFFAOYSA-N","394080",NA,"PDBC42992","697218","Present"
-"N-[2-(Diethylamine)-ethyl]-9-oxo-9H-fluorene-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(diethylamine)-ethyl]-9-oxo-9H-fluorene-4-carboxamide","","CCN(CC)CCNC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O","LOGTTYUJHKZIRV-UHFFFAOYSA-N","24203552",NA,"PDBC42993","728519","Present"
-"N-[2-(Diethylamino)ethyl]-4-iodobenzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC665367","","CCN(CC)CCNC(=O)C1=CC=C(C=C1)I.Cl","ZJWPWTPSIBMWEB-UHFFFAOYSA-N","380065",NA,"PDBC42994","665367","Present"
-"N-[2-(Diethylamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Diethylamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide","","CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]","MUCCJOIIZBIVEE-UHFFFAOYSA-N","5110746",NA,"PDBC42995","699142","Present"
-"N-[2-(Diethylamino)ethyl]-5-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Diethylamino)ethyl]-5-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide","","CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=C(N5)C=CC(=C6)[N+](=O)[O-]","PRFQKPYVMNLKAM-UHFFFAOYSA-N","5184308",NA,"PDBC42996","699144","Present"
-"N-[2-(Diethylamino)ethyl]acridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Diethylamino)ethyl]acridine-4-carboxamide;hydrochloride","","CCN(CC)CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21.Cl","DMFKMJGMDHLUPO-UHFFFAOYSA-N","358140",NA,"PDBC42997","617970","Present"
-"N-[2-(Diethylamino)ethyl]phenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Diethylamino)ethyl]phenazine-1-carboxamide;hydrochloride","","CCN(CC)CCNC(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21.Cl","WFCQPTXJTOUFTE-UHFFFAOYSA-N","358170",NA,"PDBC42998","617986","Present"
-"N-[2-(Dimethylamino)ethyl]-1,10-phenanthroline-2-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-1,10-phenanthroline-2-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=NC2=C(C=CC3=C2N=CC=C3)C=C1.Cl","ACIURJQGNHNEQM-UHFFFAOYSA-N","358121",NA,"PDBC42999","617955","Present"
-"N-[2-(Dimethylamino)ethyl]-1-[3-[3-[[15-[2-(dimethylamino)ethyl]-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-9-oxo-10H-acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, 9,10-dihydro-N-[2-(dimethylamino)...","","CN(C)CCNC(=O)C1=C2C(=C(C=C1)NCCCN(C)CCCNC3=C4C5=C(C=C3)C(=O)N(C(=O)N5C6=CC=CC=C6C4=O)CCN(C)C)C(=O)C7=CC=CC=C7N2","FRXXLEVKKOPXAL-UHFFFAOYSA-N","399642",NA,"PDBC43000","710560","Present"
-"N-[2-(Dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]-9-oxo-10H-acridin-1-yl]amino]propyl-methylamino]propylamino]-9-oxo-10H-acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]-9-oxo-10H-acridin-1-yl]amino]propyl-methylamino]propylamino]-9-oxo-10H-acridine-4-carboxamide","","CN(C)CCNC(=O)C1=C2C(=C(C=C1)NCCCN(C)CCCNC3=C4C(=C(C=C3)C(=O)NCCN(C)C)NC5=CC=CC=C5C4=O)C(=O)C6=CC=CC=C6N2","QXCHSGGVBVDZLT-UHFFFAOYSA-N","399637",NA,"PDBC43001","710554","Present"
-"N-[2-(Dimethylamino)ethyl]-1-methylacridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-1-methylacridine-4-carboxamide;hydrochloride","","CC1=CC=C(C2=NC3=CC=CC=C3C=C12)C(=O)NCCN(C)C.Cl","ZFKVQXADBOJMPY-UHFFFAOYSA-N","358135",NA,"PDBC43002","617967","Present"
-"N-[2-(Dimethylamino)ethyl]-11-oxo-11H-indeno[1,2-b]quinoxaline-6-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-11-oxo-11H-indeno[1,2-b]quinoxaline-6-carboxamide","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C4=CC=CC=C4C3=O","QBFJJQWOTWRKPL-UHFFFAOYSA-N","377390",NA,"PDBC43003","658832","Present"
-"N-[2-(Dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide","","CN(C)CCNC(=O)C1=CC2=C(C=C1)OC3=CC4=CC=CC=C4C(=O)N32","HBDQAHHTOVIUBS-UHFFFAOYSA-N","24203802",NA,"PDBC43004","729607","Present"
-"N-[2-(Dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide","","CN(C)CCNC(=O)C1=CC2=C(C=C1)N3C(=CC4=CC=CC=C4C3=O)O2","FTAKZLTUYWFDOU-UHFFFAOYSA-N","24203799",NA,"PDBC43005","729604","Present"
-"N-[2-(Dimethylamino)ethyl]-11-oxoindeno[1,2-b]quinoxaline-8-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-11-oxoindeno[1,2-b]quinoxaline-8-carboxamide","","CN(C)CCNC(=O)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C3=N2","SCEMFCFPZFBBNB-UHFFFAOYSA-N","377391",NA,"PDBC43006","658833","Present"
-"N-[2-(Dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide","","CN(C)CCNC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=CC=CC=C4N3","GKWOMDIWAUKWNX-UHFFFAOYSA-N","44139298",NA,"PDBC43007","741236","Present"
-"N-[2-(Dimethylamino)ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide","","CN1C=CN=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN(C)C","YJPSXTLNMJINCR-UHFFFAOYSA-N","387303",NA,"PDBC43008","680996","Present"
-"N-[2-(Dimethylamino)ethyl]-2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride","","CC1=CC=CC=C1C2=NC3=C(C=CC=C3N2)C(=O)NCCN(C)C.Cl","WJHNVWKIBLCLPL-UHFFFAOYSA-N","358098",NA,"PDBC43009","617943","Present"
-"N-[2-(Dimethylamino)ethyl]-2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC(=CC=C3)OC.Cl","CJXNRDMCEPGJIL-UHFFFAOYSA-N","358102",NA,"PDBC43010","617945","Present"
-"N-[2-(Dimethylamino)ethyl]-2-(3-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-(3-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride","","CC1=CC(=CC=C1)C2=NC3=C(C=CC=C3N2)C(=O)NCCN(C)C.Cl","FUODBEJWZGRBSW-UHFFFAOYSA-N","358096",NA,"PDBC43011","617942","Present"
-"N-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-8-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-8-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=C(C=C3)F.Cl","FEULGLSHUPTMFG-UHFFFAOYSA-N","358082",NA,"PDBC43012","617934","Present"
-"N-[2-(Dimethylamino)ethyl]-2-(4-hydroxyphenyl)quinoline-8-carboxamide;hydrobromide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-(4-hydroxyphenyl)quinoline-8-carboxamide;hydrobromide","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=C(C=C3)O.Br","VMASGJLZHOYMOK-UHFFFAOYSA-N","358074",NA,"PDBC43013","617930","Present"
-"N-[2-(Dimethylamino)ethyl]-2-(4-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-(4-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride","","CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)C(=O)NCCN(C)C.Cl","MZDDLXCOYLWHLZ-UHFFFAOYSA-N","358100",NA,"PDBC43014","617944","Present"
-"N-[2-(Dimethylamino)ethyl]-2-hydroxy-5-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-hydroxy-5-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxamide","","CN(C)CCNC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4OC)C(=O)C5=CC=CC=C5C3=O)O","XEHSDXOSPQHXOZ-UHFFFAOYSA-N","404302",NA,"PDBC43015","720484","Present"
-"N-[2-(Dimethylamino)ethyl]-2-hydroxy-6,11-dioxo-5-(2-phenylethyl)benzo[b]carbazole-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-hydroxy-6,11-dioxo-5-(2-phenylethyl)benzo[b]carbazole-1-carboxamide","","CN(C)CCNC(=O)C1=C(C=CC2=C1C3=C(N2CCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)O","FGVQLZDPDNQNNR-UHFFFAOYSA-N","404304",NA,"PDBC43016","720486","Present"
-"N-[2-(Dimethylamino)ethyl]-2-methylacridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-methylacridine-4-carboxamide;hydrochloride","","CC1=CC2=CC3=CC=CC=C3N=C2C(=C1)C(=O)NCCN(C)C.Cl","XPSPKYHIAJNWGG-UHFFFAOYSA-N","358126",NA,"PDBC43017","617961","Present"
-"N-[2-(Dimethylamino)ethyl]-2-phenyl-1,3-benzoxazole-7-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-phenyl-1,3-benzoxazole-7-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C(O2)C3=CC=CC=C3.Cl","BBVNACFVVZBLBT-UHFFFAOYSA-N","358110",NA,"PDBC43018","617949","Present"
-"N-[2-(Dimethylamino)ethyl]-2-phenyl-1H-benzimidazole-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-phenyl-1H-benzimidazole-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3.Cl","YPBMKTWXDPANAJ-UHFFFAOYSA-N","358095",NA,"PDBC43019","617941","Present"
-"N-[2-(Dimethylamino)ethyl]-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=CC=N3.Cl","XBNPQVVOSBLUEG-UHFFFAOYSA-N","358106",NA,"PDBC43020","617947","Present"
-"N-[2-(Dimethylamino)ethyl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CN=CC=C3.Cl","VAYBGQVJKGGWEH-UHFFFAOYSA-N","358104",NA,"PDBC43021","617946","Present"
-"N-[2-(Dimethylamino)ethyl]-2-pyridin-3-ylquinoline-8-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-pyridin-3-ylquinoline-8-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CN=CC=C3.Cl","LNVOYIZLAJXNFG-UHFFFAOYSA-N","358089",NA,"PDBC43022","617938","Present"
-"N-[2-(Dimethylamino)ethyl]-2-pyridin-4-ylquinoline-8-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-2-pyridin-4-ylquinoline-8-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=NC=C3.Cl","ZNQNMJMJYGLWGS-UHFFFAOYSA-N","358076",NA,"PDBC43023","617931","Present"
-"N-[2-(Dimethylamino)ethyl]-3-methylphenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-3-methylphenazine-1-carboxamide;hydrochloride","","CC1=CC2=NC3=CC=CC=C3N=C2C(=C1)C(=O)NCCN(C)C.Cl","PMUSHYUMCSVBSY-UHFFFAOYSA-N","358162",NA,"PDBC43024","617982","Present"
-"N-[2-(Dimethylamino)ethyl]-4-(furo[3,2-c]quinolin-4-ylamino)benzamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-4-(furo[3,2-c]quinolin-4-ylamino)benzamide","","CN(C)CCNC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","XUQUZUKINCJCRA-UHFFFAOYSA-N","24204686",NA,"PDBC43025","732490","Present"
-"N-[2-(Dimethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide","","CN(C)CCNC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3OC)C4=CC=CC=C4","AASMCSSSISYXOJ-UHFFFAOYSA-N","24205373",NA,"PDBC43026","735324","Present"
-"N-[2-(Dimethylamino)ethyl]-4-amino-1,8-naphthalenedicarbimide","","","","","","","","","","","","","","","","","","","","6-Amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)N)C=CC=C3C1=O","BLFBKDJHXLHOFB-UHFFFAOYSA-N","14300261",NA,"PDBC43027","748433","Present"
-"N-[2-(Dimethylamino)ethyl]-4-methoxyphenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-4-methoxyphenazine-1-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=C(C2=NC3=CC=CC=C3N=C12)OC.Cl","QQRDVCVLZGLEDU-UHFFFAOYSA-N","358164",NA,"PDBC43028","617983","Present"
-"N-[2-(Dimethylamino)ethyl]-5-methylacridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, N-[2-(dimethylamino)ethyl]-5- met...","","CC1=C2C(=CC=C1)C=C3C=CC=C(C3=N2)C(=O)NCCN(C)C.Cl","QBGXRFUZJBIDMA-UHFFFAOYSA-N","358122",NA,"PDBC43029","617958","Present"
-"N-[2-(Dimethylamino)ethyl]-6-(4-fluorophenyl)phenanthridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-6-(4-fluorophenyl)phenanthridine-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=C(C=C4)F.Cl","YOBSELMNADAINB-UHFFFAOYSA-N","358115",NA,"PDBC43030","617952","Present"
-"N-[2-(Dimethylamino)ethyl]-6-methoxyphenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-6-methoxyphenazine-1-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3OC.Cl","QNFQHHJWMFGWGL-UHFFFAOYSA-N","358166",NA,"PDBC43031","617984","Present"
-"N-[2-(Dimethylamino)ethyl]-6-methylacridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-6-methylacridine-4-carboxamide;hydrochloride","","CC1=CC2=C(C=C1)C=C3C=CC=C(C3=N2)C(=O)NCCN(C)C.Cl","PBAIHJTVHYFBTE-UHFFFAOYSA-N","358127",NA,"PDBC43032","617962","Present"
-"N-[2-(Dimethylamino)ethyl]-6-nitro-2-phenylquinoline-8-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-6-nitro-2-phenylquinoline-8-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C=CC(=N2)C3=CC=CC=C3.Cl","QKVNGSKNCRQJQT-UHFFFAOYSA-N","358080",NA,"PDBC43033","617933","Present"
-"N-[2-(Dimethylamino)ethyl]-6-nitronaphthalene-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC615445///NSC615806","","CN(C)CCNC(=O)C1=CC=CC2=C1C=CC(=C2)[N+](=O)[O-].Cl","OHGOSYFAOBJNLU-UHFFFAOYSA-N","357259",NA,"PDBC43034","615445///615806","Present"
-"N-[2-(Dimethylamino)ethyl]-6-phenylphenanthridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-6-phenylphenanthridine-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=CC=C4.Cl","QGQHFZLKJLXZQL-UHFFFAOYSA-N","358111",NA,"PDBC43035","617950","Present"
-"N-[2-(Dimethylamino)ethyl]-6-pyridin-2-ylphenanthridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-6-pyridin-2-ylphenanthridine-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=CC=N4.Cl","FBNYAUGNOLFXPJ-UHFFFAOYSA-N","358119",NA,"PDBC43036","617954","Present"
-"N-[2-(Dimethylamino)ethyl]-6-pyridin-3-ylphenanthridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-6-pyridin-3-ylphenanthridine-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CN=CC=C4.Cl","BKZNDUCKIMPJRW-UHFFFAOYSA-N","358113",NA,"PDBC43037","617951","Present"
-"N-[2-(Dimethylamino)ethyl]-6-pyridin-4-ylphenanthridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-6-pyridin-4-ylphenanthridine-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=NC=C4.Cl","SQJCTTHZCSPERD-UHFFFAOYSA-N","358117",NA,"PDBC43038","617953","Present"
-"N-[2-(Dimethylamino)ethyl]-7-hydroxyacridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-7-hydroxyacridine-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC(=C3)O)N=C21.Cl","QKMJKHXMFKDKTD-UHFFFAOYSA-N","358124",NA,"PDBC43039","617960","Present"
-"N-[2-(Dimethylamino)ethyl]-7-methoxyacridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-7-methoxyacridine-4-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC(=C3)OC)N=C21.Cl","MCSSTBANMDWUNB-UHFFFAOYSA-N","358123",NA,"PDBC43040","617959","Present"
-"N-[2-(Dimethylamino)ethyl]-7-methoxyphenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-7-methoxyphenazine-1-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=C(C=CC3=N2)OC.Cl","FVVODELBJPNCEC-UHFFFAOYSA-N","358144",NA,"PDBC43041","617973","Present"
-"N-[2-(Dimethylamino)ethyl]-7-methylacridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-7-methylacridine-4-carboxamide;hydrochloride","","CC1=CC2=C(C=C1)N=C3C(=C2)C=CC=C3C(=O)NCCN(C)C.Cl","VAXDJRGINUIRSX-UHFFFAOYSA-N","358128",NA,"PDBC43042","617963","Present"
-"N-[2-(Dimethylamino)ethyl]-7-methylphenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-7-methylphenazine-1-carboxamide;hydrochloride","","CC1=CC2=NC3=CC=CC(=C3N=C2C=C1)C(=O)NCCN(C)C.Cl","OLHRGRCGILWZNX-UHFFFAOYSA-N","358154",NA,"PDBC43043","617978","Present"
-"N-[2-(Dimethylamino)ethyl]-8-methoxyphenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-8-methoxyphenazine-1-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC(=CC3=N2)OC.Cl","FDOHGISWANNBPQ-UHFFFAOYSA-N","358160",NA,"PDBC43044","617981","Present"
-"N-[2-(Dimethylamino)ethyl]-8-methylacridine-4-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-8-methylacridine-4-carboxamide;hydrochloride","","CC1=C2C=C3C=CC=C(C3=NC2=CC=C1)C(=O)NCCN(C)C.Cl","TWIMSDTXKAKKKR-UHFFFAOYSA-N","358130",NA,"PDBC43045","617964","Present"
-"N-[2-(Dimethylamino)ethyl]-9-ethoxyphenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-9-ethoxyphenazine-1-carboxamide;hydrochloride","","CCOC1=CC=CC2=NC3=CC=CC(=C3N=C21)C(=O)NCCN(C)C.Cl","GNXDYWVVCGSBNI-UHFFFAOYSA-N","358146",NA,"PDBC43046","617974","Present"
-"N-[2-(Dimethylamino)ethyl]-9-methylphenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]-9-methylphenazine-1-carboxamide;hydrochloride","","CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCN(C)C.Cl","JKKJVLBQDBCKIJ-UHFFFAOYSA-N","358142",NA,"PDBC43047","617972","Present"
-"N-[2-(Dimethylamino)ethyl]anthracene-9-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]anthracene-9-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31.Cl","FCRNFZYYTWWSDB-UHFFFAOYSA-N","357356",NA,"PDBC43048","615791","Present"
-"N-[2-(Dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC4=CC=CC=C4C3=N2.Cl","HMSOVUNJPQGGQI-UHFFFAOYSA-N","358152",NA,"PDBC43049","617977","Present"
-"N-[2-(Dimethylamino)ethyl]benzo[a]phenazine-6-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]benzo[a]phenazine-6-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC2=CC=CC=C2C3=NC4=CC=CC=C4N=C13.Cl","CCUBZQUDJICEFB-UHFFFAOYSA-N","358148",NA,"PDBC43050","617975","Present"
-"N-[2-(Dimethylamino)ethyl]benzo[c]acridine-11-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]benzo[c]acridine-11-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C4=CC=CC=C4C=C3)N=C21.Cl","KEZIABMGAHTUOI-UHFFFAOYSA-N","358132",NA,"PDBC43051","617965","Present"
-"N-[2-(Dimethylamino)ethyl]pyrido[2,3-a]phenazine-11-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-(Dimethylamino)ethyl]pyrido[2,3-a]phenazine-11-carboxamide;hydrochloride","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC4=C(C3=N2)N=CC=C4.Cl","KKTTZNUBMMPJME-UHFFFAOYSA-N","358172",NA,"PDBC43052","617987","Present"
-"N-[2-(Ethylamino)ethyl]-4-iodobenzamide;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC665373","","CCNCCNC(=O)C1=CC=C(C=C1)I.Cl","SWQHSSLBMXDILF-UHFFFAOYSA-N","380075",NA,"PDBC43053","665373","Present"
-"N-[2-(Hydrazinecarbonyl)-4-nitrophenyl]adamantane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-(Hydrazinecarbonyl)-4-nitrophenyl]adamantane-1-carboxamide","","C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)NN","ONIYDIDSWVECCT-UHFFFAOYSA-N","5472393",NA,"PDBC43054","718359","Present"
-"N-[2-(Piperidinylamino)ethyl]-4-iodobenzamide","","","","","","","","","","","","","","","","","","","","4-IPAB","","C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)I","WCMWVYQHPUQKHW-UHFFFAOYSA-N","127898",NA,"PDBC43055","665366","Present"
-"N-[2-Acetamido-6-[[(2R,3S)-2-(dibenzylamino)-3-hydroxyhexyl]amino]pyrimidin-4-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-Acetamido-6-[[(2R,3S)-2-(dibenzylamino)-3-hydroxyhexyl]amino]pyrimidin-4-yl]acetamide","","CCCC(C(CNC1=CC(=NC(=N1)NC(=O)C)NC(=O)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O","NGFMYTICAGJPHK-RPBOFIJWSA-N","396448",NA,"PDBC43056","702421","Present"
-"N-[2-Benzyl-3-(5-hydroxypyridin-2-yl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[2-Benzyl-3-(5-hydroxypyridin-2-yl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide","","CC(C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)(CC3=NC=C(C=C3)O)NC(=O)C4=CC=CC=C4","UMEPVGVOLFLLID-VUUJKMBOSA-N","5470926",NA,"PDBC43057","706391","Present"
-"N-[2-Chloro-5-(4-chlorophenyl)sulfonylphenyl]-2-hydroxy-3,5-diiodobenzamide","","","","","","","","","","","","","","","","","","","","N-{2-chloro-5-[(4-chlorophenyl)sulfonyl]phenyl}-2-hydrox...","","C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=C(C(=CC(=C3)I)I)O)Cl","FYEYHDOOAYIROF-UHFFFAOYSA-N","2832028",NA,"PDBC43058","741096","Present"
-"N-[2-Chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","NSC787583///MTX-211","","CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)Cl","GUYKCXXNIKKSBC-UHFFFAOYSA-N","121416213",NA,"PDBC43059","787583///803248","Present"
-"N-[2-Diethylaminoethyloxy(diphenyl)methyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-Diethylaminoethyloxy(diphenyl)methyl]acetamide","","CCN(CC)CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)C","XOPUGCLJVBNFOG-UHFFFAOYSA-N","379856",NA,"PDBC43060","664992","Present"
-"N-[2-Dimethylarsanylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide","","","","","","","","","","","","","","","","","","","",".beta.-D-Glucopyranose, 2-(acetylamino)-2-deoxy-1-thio-,...","","CC(=O)NC1C(C(C(OC1S[As](C)C)CO)O)O","KLFSMWAVZVWSJT-UHFFFAOYSA-N","324686",NA,"PDBC43061","290806","Present"
-"N-[2-Fluoro-5-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-{2-Fluoro-5-[3-(9H-purin-6-yl)-pyridin-2-ylamino]-phen...","","C1=CC(=C(N=C1)NC2=CC(=C(C=C2)F)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C5C(=NC=N4)N=CN5","XFEORFKJWFWIIA-UHFFFAOYSA-N","130321895",NA,"PDBC43062","791136","Present"
-"N-[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-(4-sulfamoylanilino)acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC(CO)(CO)CO)NC4=CC=C(C=C4)S(=O)(=O)N","WQEPGRUINPRKNF-UHFFFAOYSA-N","384533",NA,"PDBC43063","674504","Present"
-"N-[2-Methoxy-4-[3-methoxy-4-[(4-pentoxyphenyl)methylideneamino]phenyl]phenyl]-1-(4-pentoxyphenyl)methanimine","","","","","","","","","","","","","","","","","","","","N-[2-Methoxy-4-[3-methoxy-4-[(4-pentoxyphenyl)methylideneamino]phenyl]phenyl]-1-(4-pentoxyphenyl)methanimine","","CCCCCOC1=CC=C(C=C1)C=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=CC4=CC=C(C=C4)OCCCCC)OC)OC","RAOGQXIMGQUEKD-UHFFFAOYSA-N","357336",NA,"PDBC43064","615603","Present"
-"N-[2-Methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-Methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetamide","","CC1=NN=C(S1)C2=C(NN(C2=O)C)NC(=O)C","MEMMGZUHYZCBFE-UHFFFAOYSA-N","373160",NA,"PDBC43065","649103","Present"
-"N-[2-Methyl-4-[[3-methyl-4-[[2-oxo-2-(4-oxo-1,2,3,5a,9a,10-hexahydrophenothiazin-3-yl)acetyl]amino]-5-propan-2-ylphenyl]methyl]-6-propan-2-ylphenyl]-2-oxo-2-(4-oxo-1,2,3,5a,9a,10-hexahydrophenothiazin-3-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-[2-Methyl-4-[[3-methyl-4-[[2-oxo-2-(4-oxo-1,2,3,5a,9a,10-hexahydrophenothiazin-3-yl)acetyl]amino]-5-propan-2-ylphenyl]methyl]-6-propan-2-ylphenyl]-2-oxo-2-(4-oxo-1,2,3,5a,9a,10-hexahydrophenothiazin","","CC1=CC(=CC(=C1NC(=O)C(=O)C2CCC3=C(C2=O)SC4C=CC=CC4N3)C(C)C)CC5=CC(=C(C(=C5)C)NC(=O)C(=O)C6CCC7=C(C6=O)SC8C=CC=CC8N7)C(C)C","XWKSBKRCAICLRX-UHFFFAOYSA-N","373464",NA,"PDBC43066","649821","Present"
-"N-[2-Nitro-4-(trifluoromethyl)phenyl]-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-[2-Nitro-4-(trifluoromethyl)phenyl]-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide","","C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=O)C(=O)C2C(=O)NC(=S)N2","PUUCYBHJCJWIQX-UHFFFAOYSA-N","3004248",NA,"PDBC43067","640351","Present"
-"N-[2-Nitro-4-(trifluoromethyl)phenyl]-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N-[2-Nitro-4-(trifluoromethyl)phenyl]-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]","KLUYAGICHNCCFC-UHFFFAOYSA-N","3000681",NA,"PDBC43068","644768","Present"
-"N-[2-Nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-Nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide","","C1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]","DULNYMNWPPXKON-UHFFFAOYSA-N","279886",NA,"PDBC43069","131184","Present"
-"N-[2-Oxo-2-(2-phenylhydrazinyl)ethyl]-1-phenylmethanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[2-Oxo-2-(2-phenylhydrazinyl)ethyl]-1-phenylmethanesulfonamide","","C1=CC=C(C=C1)CS(=O)(=O)NCC(=O)NNC2=CC=CC=C2","DXCUNBGVJKJJGW-UHFFFAOYSA-N","344245",NA,"PDBC43070","401044","Present"
-"N-[2-Oxo-3-[(3,5-dimethyl-1H-pyrrole-2-yl)methylene]indoline-5-yl]-N'-hydroxyoctanediamide","","","","","","","","","","","","","","","","","","","","(Z)-N1-(3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxo...","","CC1=CC(=C(N1)C=C2C3=C(C=CC(=C3)NC(=O)CCCCCCC(=O)NO)NC2=O)C","YMQGJWXACDXDFY-AQTBWJFISA-N","56932478",NA,"PDBC43071","774913","Present"
-"N-[2-Oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-Oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide","","C1COCCN1C(=O)NC2=C(C=C(NC2=O)C3=CC=CC=C3)C(F)(F)F","RNIBLZYTCVSWHN-UHFFFAOYSA-N","397742",NA,"PDBC43072","706165","Present"
-"N-[2-[(2,3,5-Trimethyl-2,3-dihydro-1H-1-benzazepin)-1-yl]ethyl]-p-toluenesulfonamide","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethyl]benzenesulfonamide","","CC1C=C(C2=CC=CC=C2N(C1C)CCNS(=O)(=O)C3=CC=C(C=C3)C)C","GNQPOUDSQAHPQM-UHFFFAOYSA-N","379687",NA,"PDBC43073","664562","Present"
-"N-[2-[(2E)-2-[[4-(Dimethylamino)phenyl]methylidene]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-[2-[(2E)-2-[[4-(Dimethylamino)phenyl]methylidene]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4NC(=O)C(F)(F)F)S2","GITPGUPSPRSBTR-LFIBNONCSA-N","5351356",NA,"PDBC43074","623095","Present"
-"N-[2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-(6-Methoxybenzo[d]thiazol-2-yl)-3-(4-methoxyphenyl)-4-...","","COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=NC5=C(S4)C=CC(=C5)OC","IEJHSMZALMVEED-UHFFFAOYSA-N","60148090",NA,"PDBC43075","753603","Present"
-"N-[2-[(6S)-6-[Dimethyl(phenyl)silyl]cyclohexen-1-yl]ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine","","","","","","","","","","","","","","","","","","","","N-[2-[(6S)-6-[Dimethyl(phenyl)silyl]cyclohexen-1-yl]ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine","","C[Si](C)(C1CCCC=C1CCNC2C3=CC=CC=C3CCC4=CC=CC=C24)C5=CC=CC=C5","NYHAHOCEINZAFC-PMERELPUSA-N","401718",NA,"PDBC43076","715448","Present"
-"N-[2-[(E)-[(2-Diethoxyphosphorylbutan-2-ylamino)-[[4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-yl]amino]methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-[(E)-[(2-Diethoxyphosphorylbutan-2-ylamino)-[[4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-yl]amino]methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide","","CCC(C)(NC(=NC(C(F)(F)F)(C(F)(F)F)NC(=O)C)NC1=NC(N=C(O1)C(F)(F)F)(C(F)(F)F)C(F)(F)F)P(=O)(OCC)OCC","SJDKFYPJAFTDHU-UHFFFAOYSA-N","5898147",NA,"PDBC43077","670110","Present"
-"N-[2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]propanamide","","CCC(=O)NC1=CC=CC=C1C#CC=CC#CC2=CC=CC=C2SC","FADSVDANHJEFJG-PLNGDYQASA-N","45028778",NA,"PDBC43078","744166","Present"
-"N-[2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]propanamide","","CCC(=O)NC1=CC=CC=C1C#CC=CC#CC2=CC=CC=C2C(F)(F)F","JLDMNZOCZABNMV-ARJAWSKDSA-N","45028777",NA,"PDBC43079","744165","Present"
-"N-[2-[1-(Chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[1-(Chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide","","C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C7=CC=CC=C72)[N+](=O)[O-])CCl","DVVBTBQPDKMSFZ-UHFFFAOYSA-N","5470090",NA,"PDBC43080","697536","Present"
-"N-[2-[2,2-Bis(1H-indol-3-yl)ethyl]phenyl]but-2-ynamide","","","","","","","","","","","","","","","","","","","","N-[2-[2,2-Bis(1H-indol-3-yl)ethyl]phenyl]but-2-ynamide","","CC#CC(=O)NC1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","GYZQEZMLGAYNIU-UHFFFAOYSA-N","370359",NA,"PDBC43081","643422","Present"
-"N-[2-[2,2-Bis(1H-indol-3-yl)ethyl]phenyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","N-[2-[2,2-Bis(1H-indol-3-yl)ethyl]phenyl]prop-2-enamide","","C=CC(=O)NC1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","XVWJGTLUIRCHGF-UHFFFAOYSA-N","370357",NA,"PDBC43082","643420","Present"
-"N-[2-[2-(1,4-Dihydroindeno[1,2-b]pyrrole-3-carbonylamino)ethyl-methylamino]ethyl]-1,4-dihydroindeno[1,2-b]pyrrole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[2-(1,4-Dihydroindeno[1,2-b]pyrrole-3-carbonylamino)ethyl-methylamino]ethyl]-1,4-dihydroindeno[1,2-b]pyrrole-3-carboxamide","","CN(CCNC(=O)C1=CNC2=C1CC3=CC=CC=C32)CCNC(=O)C4=CNC5=C4CC6=CC=CC=C65","VQCDJAMDHXQIEV-UHFFFAOYSA-N","400627",NA,"PDBC43083","712785","Present"
-"N-[2-[2-(2,4-Dihydroindeno[1,2-c]pyrazole-3-carbonylamino)ethyl-methylamino]ethyl]-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[2-(2,4-Dihydroindeno[1,2-c]pyrazole-3-carbonylamino)ethyl-methylamino]ethyl]-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide","","CN(CCNC(=O)C1=C2CC3=CC=CC=C3C2=NN1)CCNC(=O)C4=C5CC6=CC=CC=C6C5=NN4","VZXHQTVBIVBYAV-UHFFFAOYSA-N","399545",NA,"PDBC43084","710409","Present"
-"N-[2-[2-(2-Formamidophenoxy)ethoxy]phenyl]formamide","","","","","","","","","","","","","","","","","","","","N-[2-[2-(2-Formamidophenoxy)ethoxy]phenyl]formamide","","C1=CC=C(C(=C1)NC=O)OCCOC2=CC=CC=C2NC=O","WIBSPCCUZNDTKQ-UHFFFAOYSA-N","394576",NA,"PDBC43085","698145","Present"
-"N-[2-[2-(2H-Benzo[g]indazole-3-carbonylamino)ethyl-methylamino]ethyl]-2H-benzo[g]indazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[2-(2H-Benzo[g]indazole-3-carbonylamino)ethyl-methylamino]ethyl]-2H-benzo[g]indazole-3-carboxamide","","CN(CCNC(=O)C1=C2C=CC3=CC=CC=C3C2=NN1)CCNC(=O)C4=C5C=CC6=CC=CC=C6C5=NN4","VINRVJKYGRYUIL-UHFFFAOYSA-N","403554",NA,"PDBC43086","718578","Present"
-"N-[2-[2-(Aminocarbonyl)hydrazino]-4-oxoquinazolin-3(4H)-yl]-N'-(2,4-dichlorophenyl)ethanediamide","","","","","","","","","","","","","","","","","","","","N1-(2-(2-Carbamoylhydrazinyl)-4-oxoquinazolin-3(4H)-yl)-...","","C1=CC=C2C(=C1)C(=O)N(C(=N2)NNC(=O)N)NC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","CTPRQYIUJGHBCA-UHFFFAOYSA-N","372950",NA,"PDBC43087","648662","Present"
-"N-[2-[2-Aminoethyl(nonanoyl)amino]ethyl]nonanamide","","","","","","","","","","","","","","","","","","","","Nonanamide, N-(2-aminoethyl)- N-[2-[(1-oxononyl)amino]et...","","CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC","VEWSIAVHSPXXPI-UHFFFAOYSA-N","372547",NA,"PDBC43088","647758","Present"
-"N-[2-[2-[2-(2-Acetamidophenyl)sulfanylethyldisulfanyl]ethylsulfanyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-[2-[2-(2-Acetamidophenyl)sulfanylethyldisulfanyl]ethylsulfanyl]phenyl]acetamide","","CC(=O)NC1=CC=CC=C1SCCSSCCSC2=CC=CC=C2NC(=O)C","MJRSTTUCTPSJDM-UHFFFAOYSA-N","403665",NA,"PDBC43089","718740","Present"
-"N-[2-[2-[2-[Benzoyl-[cyano(phenyl)methyl]amino]ethoxy]ethoxy]ethyl]-N-[cyano(phenyl)methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[2-[2-[2-[Benzoyl-[cyano(phenyl)methyl]amino]ethoxy]ethoxy]ethyl]-N-[cyano(phenyl)methyl]benzamide","","C1=CC=C(C=C1)C(C#N)N(CCOCCOCCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","DIEUOYCDCQFUSH-UHFFFAOYSA-N","387716",NA,"PDBC43090","681745","Present"
-"N-[2-[2-[3-(2-Acetamidoethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-[2-[3-(2-Acetamidoethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethyl]acetamide","","CC(=O)NCCC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CCNC(=O)C","AKOQBBHTVMWPFK-UHFFFAOYSA-N","392229",NA,"PDBC43091","692361","Present"
-"N-[2-[3,5-Bis(phenylmethoxy)phenyl]ethyl]-3-(3,4-dihydroxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-[2-[3,5-Bis(phenylmethoxy)phenyl]ethyl]-3-(3,4-dihydroxyphenyl)propanamide","","C1=CC=C(C=C1)COC2=CC(=CC(=C2)CCNC(=O)CCC3=CC(=C(C=C3)O)O)OCC4=CC=CC=C4","QKKASNALDDWHGW-UHFFFAOYSA-N","389930",NA,"PDBC43092","686583","Present"
-"N-[2-[3-[2-(Ethenylcarbamoylamino)-2-oxoethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-[2-[3-[2-(Ethenylcarbamoylamino)-2-oxoethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide","","C=CNC(=O)NC(=O)CSC1=NN=C(C(=O)N1)C2=CC=CC=C2NC(=O)C(F)(F)F","CYQLPVMZNVODLN-UHFFFAOYSA-N","135416967",NA,"PDBC43093","623087","Present"
-"N-[2-[3-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-1,2,4-triazol-1-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[2-[3-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-1,2,4-triazol-1-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide","","CC(=O)NC1C(C(C(OC1N2C=NC(=N2)SC3C(C(C(C(O3)CO)O)O)NC(=O)C)CO)O)O","BSUKBJNJKVMBDU-UHFFFAOYSA-N","397602",NA,"PDBC43094","705943","Present"
-"N-[2-[5-Acetamido-6-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide","","","","","","","","","","","","","","","","","","","","O-[2-(Acetylamino)-2-deoxy-.beta.-D-glucopyranosyl-(1->4...","","CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)CO)CO)O)O","AAXBYWCGVCDLAE-UHFFFAOYSA-N","390567",NA,"PDBC43095","688076","Present"
-"N-[2-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide","","","","","","","","","","","","","","","","","","","","Acetamide, N-[2-[[5-amino-1-(chloromethyl)-1,2-dihydro- ...","","CC(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl","FZNXAZLPNZVWBS-UHFFFAOYSA-N","392734",NA,"PDBC43096","693540","Present"
-"N-[2-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylethyl]-3-(4-hydroxy-3-iodophenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-[2-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylethyl]-3-(4-hydroxy-3-iodophenyl)propanamide","","C1=CC(=C(C=C1CCC(=O)NCCSC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N)I)O","HMDUDYOOQWFSCQ-UHFFFAOYSA-N","374639",NA,"PDBC43097","652618","Present"
-"N-[2-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylethyl]-3-(4-hydroxyphenyl)propanamide","","","","","","","","","","","","","","","","","","","","N-[2-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylethyl]-3-(4-hydroxyphenyl)propanamide","","C1=CC(=CC=C1CCC(=O)NCCSC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N)O","UJTXAJGESSLYKI-UHFFFAOYSA-N","374638",NA,"PDBC43098","652617","Present"
-"N-[2-[Bis(3-oxo-5-chloro-3H-1,2-dithiol-4-yl)amino]ethyl]-3,4,5,6-tetrachlorophthalimide","","","","","","","","","","","","","","","","","","","","N-[2-[Bis(3-oxo-5-chloro-3H-1,2-dithiol-4-yl)amino]ethyl]-3,4,5,6-tetrachlorophthalimide","","C(CN(C1=C(SSC1=O)Cl)C2=C(SSC2=O)Cl)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl","DPJOIFQITJHXDJ-UHFFFAOYSA-N","402776",NA,"PDBC43099","716983","Present"
-"N-[2-[Bis[2-[(1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl)amino]ethyl]amino]ethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[Bis[2-[(1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl)amino]ethyl]amino]ethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide","","CC12CC(CC(C1)(C)C(=O)NCCN(CCNC(=O)C3(CC4(CC(C3)(C(=O)NC4=O)C)C)C)CCNC(=O)C5(CC6(CC(C5)(C(=O)NC6=O)C)C)C)(C(=O)NC2=O)C","SZSFVGUMWJLNIQ-UHFFFAOYSA-N","362759",NA,"PDBC43100","627019","Present"
-"N-[2-[Bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[Bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide","","C1=CC(=O)N(C(=C1)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O)O","MOHWRCPRCZDYRX-UHFFFAOYSA-N","391972",NA,"PDBC43101","691694","Present"
-"N-[2-[Bis[2-[[3-[3-(dimethylcarbamoyl)-2-methoxyphenyl]-2-methoxybenzoyl]amino]ethyl]amino]ethyl]-3-[3-(dimethylcarbamoyl)-2-methoxyphenyl]-2-methoxybenzamide","","","","","","","","","","","","","","","","","","","","N-[2-[Bis[2-[[3-[3-(dimethylcarbamoyl)-2-methoxyphenyl]-2-methoxybenzoyl]amino]ethyl]amino]ethyl]-3-[3-(dimethylcarbamoyl)-2-methoxyphenyl]-2-methoxybenzamide","","CN(C)C(=O)C1=CC=CC(=C1OC)C2=C(C(=CC=C2)C(=O)NCCN(CCNC(=O)C3=CC=CC(=C3OC)C4=C(C(=CC=C4)C(=O)N(C)C)OC)CCNC(=O)C5=CC=CC(=C5OC)C6=C(C(=CC=C6)C(=O)N(C)C)OC)OC","JWGGTBAIDBNVSU-UHFFFAOYSA-N","385043",NA,"PDBC43102","675964","Present"
-"N-[2-[Methyl-[2-[(1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[Methyl-[2-[(1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carboxamide","","CN(CCNC(=O)C1=NN(C2=C1CC3=CC=CC=C32)C4=CC=CC=C4)CCNC(=O)C5=NN(C6=C5CC7=CC=CC=C76)C8=CC=CC=C8","HDUFPFHIONJNJK-UHFFFAOYSA-N","399547",NA,"PDBC43103","710411","Present"
-"N-[2-[Methyl-[2-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[2-[Methyl-[2-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride","","CN(CCNC(=O)C1=NN(C2=C1C=CC3=CC=CC=C32)C4=CC=CC=C4)CCNC(=O)C5=NN(C6=C5C=CC7=CC=CC=C76)C8=CC=CC=C8.Cl","MKWFNTIBENSCEI-UHFFFAOYSA-N","402066",NA,"PDBC43104","715764","Present"
-"N-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-oxo-5,8-dioxaspiro[3.4]oct-1-ene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-oxo-5,8-dioxaspiro[3.4]oct-1-ene-1-carboxamide","","CC1(OCCO1)CC2=C(C3(C2=O)OCCO3)C(=O)NCCO[Si](C)(C)C(C)(C)C","LJKLXIXQCNSINZ-UHFFFAOYSA-N","394541",NA,"PDBC43105","698086","Present"
-"N-[2-[[(4-Bromophenyl)sulfonylamino]carbamoyl]-5-chlorophenyl]adamantane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[[(4-Bromophenyl)sulfonylamino]carbamoyl]-5-chlorophenyl]adamantane-1-carboxamide","","C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NNS(=O)(=O)C5=CC=C(C=C5)Br","KAOICPRWZNOEPN-UHFFFAOYSA-N","403459",NA,"PDBC43106","718356","Present"
-"N-[2-[[(4-Chlorobenzoyl)amino]carbamoyl]-4-methylphenyl]adamantane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[[(4-Chlorobenzoyl)amino]carbamoyl]-4-methylphenyl]adamantane-1-carboxamide","","CC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NNC(=O)C5=CC=C(C=C5)Cl","FARNQVMISDXBHT-UHFFFAOYSA-N","403458",NA,"PDBC43107","718355","Present"
-"N-[2-[[(E)-(3,5-Ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","(E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)-2-(thiop...","","CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3","KQEDZSKGRQCSEG-LQKURTRISA-N","155810765",NA,"PDBC43108","797764","Present"
-"N-[2-[[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-prop-2-enylamino]-2-oxoethyl]-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-[2-[[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-prop-2-enylamino]-2-oxoethyl]-2,2,2-trifluoroacetamide","","CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)C(=O)CNC(=O)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4","PHNZAHBPMCTNQK-UHFFFAOYSA-N","396979",NA,"PDBC43109","704216","Present"
-"N-[2-[[1-[2-[[1-[[1-[[6-Amino-1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-hexadecanoylpyrrolidine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[[1-[2-[[1-[[1-[[6-Amino-1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3","","CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N5CCCC5C(=O)NCC(=O)N","QREASIAFPQXMBI-UHFFFAOYSA-N","24205858",NA,"PDBC43110","737024","Present"
-"N-[2-[[2-(2,2-Dimethylpropanoylamino)-6-methoxyphenyl]disulfanyl]-3-methoxyphenyl]-2,2-dimethylpropanamide","","","","","","","","","","","","","","","","","","","","N-[2-[[2-(2,2-Dimethylpropanoylamino)-6-methoxyphenyl]disulfanyl]-3-methoxyphenyl]-2,2-dimethylpropanamide","","CC(C)(C)C(=O)NC1=C(C(=CC=C1)OC)SSC2=C(C=CC=C2OC)NC(=O)C(C)(C)C","FBUCGLIXSPIFJN-UHFFFAOYSA-N","360049",NA,"PDBC43111","621847","Present"
-"N-[2-[[3-Benzoyl-4-(4-tolylacetylamino)phenyl]amino]-2-oxoet hyl]-4-phenylcinnamic acid amide","","","","","","","","","","","","","","","","","","","","N-[2-[[3-benzoyl-4-(4-tolylacetylamino)phenyl]amino]-2-o...","","CC1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C=CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","PGGJKBZUDITKPA-PTGBLXJZSA-N","5472583",NA,"PDBC43112","720289","Present"
-"N-[2-[[4,5-Dihydroxy-2-methyl-6-[(9-methylpurin-6-yl)amino]oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide","","","","","","","","","","","","","","","","","","","","N-[2-[[4,5-Dihydroxy-2-methyl-6-[(9-methylpurin-6-yl)amino]oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide","","CC1C(C(C(C(O1)NC2=C3C(=NC=N2)N(C=N3)C)O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C","BYVJEJAJTFHTPY-UHFFFAOYSA-N","324540",NA,"PDBC43113","290511","Present"
-"N-[2-[[4-[3-(3-Hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazol-4-yl)p...","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F","FOPMQBUPEKOPAK-UHFFFAOYSA-N","155811777",NA,"PDBC43114","783565","Present"
-"N-[2-[[4-[3-(3-Methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-((4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)p...","","COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCNS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5","RDPBWONLHIKQFR-UHFFFAOYSA-N","155810179",NA,"PDBC43115","783552","Present"
-"N-[2-[[4-[6-(4-Methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(2-((4-(6-(4-methoxyphenyl)imidazo[2,1-b]thiazol-5-yl)...","","COC1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F","VSIGVIHPXWGQDB-UHFFFAOYSA-N","155816263",NA,"PDBC43116","780035","Present"
-"N-[2-[[[1-(Chloromethyl)-5-amino-1,2-dihydro-3H-benzo[e]indole]-3-yl]carbonyl]-1H-indole-5-yl]-2-benzofurancarboxamide","","","","","","","","","","","","","","","","","","","","N-[2-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide","","C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C7=CC=CC=C72)N)CCl","ARHBFRMLLOEANX-UHFFFAOYSA-N","394233",NA,"PDBC43117","697537","Present"
-"N-[3,5-Bis(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","4-Quinolinecarboxamide, N-[3,5-bis(trifluoromethyl)pheny...","","COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","YTMWYACTRNTCIE-UHFFFAOYSA-N","335174",NA,"PDBC43118","343556","Present"
-"N-[3,5-Dicyano-6-hydroxy-4-(4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3,5-Dicyano-6-hydroxy-4-(4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-4-methylbenzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)O","JVFSFNVFNFLTKC-UHFFFAOYSA-N","390280",NA,"PDBC43119","687572","Present"
-"N-[3-(1,3-Benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c...","","CC(=O)NC1=C(C2=C(S1)CNC2)C3=NC4=CC=CC=C4S3","MODNMLYGANOZDZ-UHFFFAOYSA-N","46925884",NA,"PDBC43120","782148","Present"
-"N-[3-(2,1,3-Benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","NSC754351///NSC755806","","CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4","MQMKRQLTIWPEDM-UHFFFAOYSA-N","1893730",NA,"PDBC43121","754351///755806","Present"
-"N-[3-(2,2-Dimethylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(2,2-Dimethylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC(C)(C)C","OVRSQENETCIQEV-UHFFFAOYSA-N","374261",NA,"PDBC43122","651762","Present"
-"N-[3-(2-Acetamido-5-methoxyphenyl)-3-hydroxypropyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-Acetamido-5-methoxyphenyl)-3-hydroxypropyl]acetamide","","CC(=O)NCCC(C1=C(C=CC(=C1)OC)NC(=O)C)O","FACAUFDMVUCAPB-UHFFFAOYSA-N","390660",NA,"PDBC43123","688267","Present"
-"N-[3-(2-Acetamido-5-methoxyphenyl)-3-oxopropyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-Acetamido-5-methoxyphenyl)-3-oxopropyl]acetamide","","CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC(=O)C","NOMXCLBYFQKRDU-UHFFFAOYSA-N","390659",NA,"PDBC43124","688266","Present"
-"N-[3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl]acetamide","","CC(=O)NCCC(C1=C(C=CC(=C1)OC)N)O","FSLGWVXOYYWJRH-UHFFFAOYSA-N","390661",NA,"PDBC43125","688268","Present"
-"N-[3-(2-Chloroethylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-Chloroethylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCCCl","SAIKXMSNJWTKGA-UHFFFAOYSA-N","377401",NA,"PDBC43126","658844","Present"
-"N-[3-(2-Formamido-5-methoxyphenyl)-3-hydroxypropyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-Formamido-5-methoxyphenyl)-3-hydroxypropyl]acetamide","","CC(=O)NCCC(C1=C(C=CC(=C1)OC)NC=O)O","BDTYSQOGILJTPK-UHFFFAOYSA-N","390657",NA,"PDBC43127","688264","Present"
-"N-[3-(2-Hydroxyethylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-Hydroxyethylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCCO","VRNKFDRJFQCSIK-UHFFFAOYSA-N","374263",NA,"PDBC43128","651764","Present"
-"N-[3-(2-Methylanilino)quinoxalin-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Z54633825","","CC1=CC=CC=C1NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4","KMRIBBFVESYISD-UHFFFAOYSA-N","389566",NA,"PDBC43129","685873","Present"
-"N-[3-(2-Methylbutan-2-ylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-Methylbutan-2-ylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","CCC(C)(C)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","XZYFVEOUCGADCL-UHFFFAOYSA-N","374269",NA,"PDBC43130","651770","Present"
-"N-[3-(2-Methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-Methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","CCC(C)CNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","NNJDASHKHNFVIN-UHFFFAOYSA-N","374270",NA,"PDBC43131","651771","Present"
-"N-[3-(2-Methylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-Methylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","CC(C)CNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","DIARTZFBGMDPCR-UHFFFAOYSA-N","374279",NA,"PDBC43132","651780","Present"
-"N-[3-(2-Nitroimidazol-1-yl)propyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide","","","","","","","","","","","","","","","","","","","","N-[3-(2-Nitroimidazol-1-yl)propyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide","","C1=CN(C(=N1)[N+](=O)[O-])CCCNC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]","HKKNUYUDWXULEK-UHFFFAOYSA-N","372716",NA,"PDBC43133","648276","Present"
-"N-[3-(3,4-Dimethoxyphenyl)propyl]-2-[2-(hydroxymethyl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(3,4-Dimethoxyphenyl)propyl]-2-[2-(hydroxymethyl)phenyl]acetamide","","COC1=C(C=C(C=C1)CCCNC(=O)CC2=CC=CC=C2CO)OC","GRFMFHVAJWEDBA-UHFFFAOYSA-N","390037",NA,"PDBC43134","686951","Present"
-"N-[3-(3-Aminoanilino)quinoxalin-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-(3-Aminoanilino)quinoxalin-2-yl]benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)N","HHVNLSYOJFDIGD-UHFFFAOYSA-N","389583",NA,"PDBC43135","685888","Present"
-"N-[3-(3-Methylanilino)quinoxalin-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-(3-Methylanilino)quinoxalin-2-yl]benzenesulfonamide","","CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4","ZKTJOYBXTFYINO-UHFFFAOYSA-N","389567",NA,"PDBC43136","685874","Present"
-"N-[3-(3-Methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(3-Methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","CC(C)CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","FYPXXCIMZZLZSR-UHFFFAOYSA-N","374268",NA,"PDBC43137","651769","Present"
-"N-[3-(3-Oxo-2H-1,2,4-triazin-5-yl)propyl]phenazine-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(3-Oxo-2H-1,2,4-triazin-5-yl)propyl]phenazine-1-carboxamide","","C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)NCCCC4=NC(=O)NN=C4","KYURERXHIHHKBG-UHFFFAOYSA-N","403976",NA,"PDBC43138","719924","Present"
-"N-[3-(4-Chloro-phenyl)-3-hydroxy-3-phenyl-propanoyl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-(4-Chloro-phenyl)-3-hydroxy-3-phenyl-propanoyl]-2-hydroxy-benzamide","","C1=CC=C(C=C1)C(CC(=O)NC(=O)C2=CC=CC=C2O)(C3=CC=C(C=C3)Cl)O","DDEPSTRGUUWAKZ-UHFFFAOYSA-N","365313",NA,"PDBC43139","632901","Present"
-"N-[3-(4-Chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-(2-methylphenoxy)propanamide","","","","","","","","","","","","","","","","","","","","N-[3-(4-Chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-(2-methylphenoxy)propanamide","","CC1=CC=CC=C1OC(C)C(=O)NN2C(=O)CC(=O)N(C2=S)C3=CC=C(C=C3)Cl","QBBNBCRPKDJUFD-UHFFFAOYSA-N","397270",NA,"PDBC43140","704798","Present"
-"N-[3-(4-Chlorophenyl)sulfanyl-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(4-Chlorophenyl)sulfanyl-1,4-dioxonaphthalen-2-yl]acetamide","","CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)SC3=CC=C(C=C3)Cl","BNMBDUXYBKOILC-UHFFFAOYSA-N","279002",NA,"PDBC43141","128981","Present"
-"N-[3-(4-Chlorophenyl)sulfonyl-5-nitro-2-thienyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(4-Chlorophenyl)sulfonyl-5-nitro-2-thienyl]acetamide","","CC(=O)NC1=C(C=C(S1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl","MXDQHZXKGXZCMO-UHFFFAOYSA-N","393676",NA,"PDBC43142","696052","Present"
-"N-[3-(4-Chlorophenyl)sulfonylthiophen-2-yl]-2,4-difluorobenzamide","","","","","","","","","","","","","","","","","","","","N-[3-(4-Chlorophenyl)sulfonylthiophen-2-yl]-2,4-difluorobenzamide","","C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)NC(=O)C3=C(C=C(C=C3)F)F)Cl","CDCLFKQUHDVWBY-UHFFFAOYSA-N","399369",NA,"PDBC43143","710077","Present"
-"N-[3-(4-Chlorophenyl)sulfonylthiophen-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[3-(4-Chlorophenyl)sulfonylthiophen-2-yl]benzamide","","C1=CC=C(C=C1)C(=O)NC2=C(C=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl","PABIFNKULJCOMR-UHFFFAOYSA-N","399371",NA,"PDBC43144","710079","Present"
-"N-[3-(4-Methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-(2-methylphenoxy)propanamide","","","","","","","","","","","","","","","","","","","","N-[3-(4-Methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-(2-methylphenoxy)propanamide","","CC1=CC=CC=C1OC(C)C(=O)NN2C(=O)CC(=O)N(C2=S)C3=CC=C(C=C3)OC","YPGWWWYPDQBJQY-UHFFFAOYSA-N","397272",NA,"PDBC43145","704800","Present"
-"N-[3-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3-isothiocyanato-N-methylpropan-1-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3-isothiocyanato-N-methylpropan-1-amine;hydrochloride","","CN(CCCN=C=S)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl","CCPYUTDSRNOGFR-UHFFFAOYSA-N","401800",NA,"PDBC43146","715529","Present"
-"N-[3-(5-Hydroxypyridin-2-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[3-(5-Hydroxypyridin-2-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide","","CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=NC=C(C=C2)O)NC(=O)C3=CC=CC=C3","JDTAPMBODQRAOV-KEJDIYNNSA-N","5470925",NA,"PDBC43147","706390","Present"
-"N-[3-(6-Aminopurin-9-yl)propyl]hydroxylamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-(6-Aminopurin-9-yl)propyl]hydroxylamine;hydrochloride","","C1=NC(=C2C(=N1)N(C=N2)CCCNO)N.Cl","FXMNWKSXTXLRSD-UHFFFAOYSA-N","396009",NA,"PDBC43148","701178","Present"
-"N-[3-(Azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","AB01298041-01","","C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4","NLYBSDNKLFTAMV-UHFFFAOYSA-N","389573",NA,"PDBC43149","685880","Present"
-"N-[3-(Butan-2-ylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(Butan-2-ylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","CCC(C)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","HUGGBSGYJDWUGZ-UHFFFAOYSA-N","374278",NA,"PDBC43150","651779","Present"
-"N-[3-(Diethylamino)propyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Diethylamino)propyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide","","CCN(CC)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC=CN3C","GDYXIOUCSCHROO-UHFFFAOYSA-N","387304",NA,"PDBC43151","680997","Present"
-"N-[3-(Diethylamino)propyl]-2-hydroxy-4-nitrobenzamide;chloride","","","","","","","","","","","","","","","","","","","","N-[3-(Diethylamino)propyl]-2-hydroxy-4-nitrobenzamide;chloride","","CCN(CC)CCCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])O.[Cl-]","ROPZHPRTBBQGFL-UHFFFAOYSA-M","24182380",NA,"PDBC43152","16096","Present"
-"N-[3-(Diethylamino)propyl]-N-(7-methoxyquinoxalin-5-yl)-4-methylbenzene-1-sulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-(Diethylamino)propyl]-N-(7-methoxyquinoxalin-5-yl)-4-methylbenzene-1-sulfonamide","","CCN(CC)CCCN(C1=CC(=CC2=NC=CN=C12)OC)S(=O)(=O)C3=CC=C(C=C3)C","ZTPYPAVVDJXCNJ-UHFFFAOYSA-N","343869",NA,"PDBC43153","400402","Present"
-"N-[3-(Diethylaminomethyl)-4-methoxy-phenyl]-N-(4-dimethylaminocyclohexyl)quinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","2-N-[3-(Diethylaminomethyl)-4-methoxyphenyl]-4-N-[4-(dimethylamino)cyclohexyl]quinazoline-2,4-diamine;hydrochloride","","CCN(CC)CC1=C(C=CC(=C1)NC2=NC3=CC=CC=C3C(=N2)NC4CCC(CC4)N(C)C)OC.Cl","IEVSPUOIQJBRLZ-UHFFFAOYSA-N","54610390",NA,"PDBC43154","174030","Present"
-"N-[3-(Dimethylamino)propyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide","","CN(C)CCCNC(=O)C1=CC2=C(C=C1)OC3=CC4=CC=CC=C4C(=O)N32","DLEMTURLDABFPQ-UHFFFAOYSA-N","24203803",NA,"PDBC43155","729608","Present"
-"N-[3-(Dimethylamino)propyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide","","CN(C)CCCNC(=O)C1=CC2=C(C=C1)N3C(=CC4=CC=CC=C4C3=O)O2","MNMLXYVRAICYQF-UHFFFAOYSA-N","24203800",NA,"PDBC43156","729605","Present"
-"N-[3-(Dimethylamino)propyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide;hydrochloride","","CN(C)CCCNC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=CC=CC=C4N3.Cl","JTDHNKPTMFOUIM-UHFFFAOYSA-N","45027935",NA,"PDBC43157","740207","Present"
-"N-[3-(Dimethylamino)propyl]-13-methyl-4-nitro-11-oxo-8,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1,3,5,7,9,12(16),14-heptaene-14-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-13-methyl-4-nitro-11-oxo-8,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1,3,5,7,9,12(16),14-heptaene-14-carboxamide","","CN1C(=CC2=C1C(=O)C3=CN=C4C=CC(=CC4=C3N2)[N+](=O)[O-])C(=O)NCCCN(C)C","ICHBPAFVIXUXIS-UHFFFAOYSA-N","10320046",NA,"PDBC43158","737064","Present"
-"N-[3-(Dimethylamino)propyl]-3-(pyridin-3-yl)quinoline-4-carboxamideG","","","","","","","","","","","","","","","","","","","","N-[3-(dimethylamino)propyl]-3-(pyridin-3-yl)quinoline-4-...","","CN(C)CCCNC(=O)C1=C(C=NC2=CC=CC=C21)C3=CN=CC=C3","KTYQGPZATNEGHW-UHFFFAOYSA-N","377699",NA,"PDBC43159","659290","Present"
-"N-[3-(Dimethylamino)propyl]-4-({N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbonyl]-beta-alanyl}amino)-1-methyl-1H-pyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-4-[3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoylamino]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","ATBCVVOBTYBRGF-UHFFFAOYSA-N","641665",NA,"PDBC43160","732056","Present"
-"N-[3-(Dimethylamino)propyl]-4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NCCCN(C)C)NS(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","ANCRTFGULDCQCO-UHFFFAOYSA-N","405340",NA,"PDBC43161","722563","Present"
-"N-[3-(Dimethylamino)propyl]-4-[3-[(9,10-dioxoanthracen-2-yl)sulfonylamino]propanoylamino]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-4-[3-[(9,10-dioxoanthracen-2-yl)sulfonylamino]propanoylamino]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","BMCQKVOPTVOMNJ-UHFFFAOYSA-N","16736425",NA,"PDBC43162","732046","Present"
-"N-[3-(Dimethylamino)propyl]-4-[[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-4-[[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)C2=CC(=CN2C)NS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O","ODMGGZOFYMGTCV-UHFFFAOYSA-N","405335",NA,"PDBC43163","722558","Present"
-"N-[3-(Dimethylamino)propyl]-4-[[4-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-5-methylthiophene-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-4-[[4-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-5-methylthiophene-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide","","CC1=C(C=C(S1)C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O","RCHKDTCBHQVFJU-UHFFFAOYSA-N","45027932",NA,"PDBC43164","740201","Present"
-"N-[3-(Dimethylamino)propyl]-4-oxo-4-(4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-10-yl)butanamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-4-oxo-4-(4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-10-yl)butanamide;hydrochloride","","CN(C)CCCNC(=O)CCC(=O)N1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC.Cl","PPYDBXAUKKBYRR-UHFFFAOYSA-N","374455",NA,"PDBC43165","652167","Present"
-"N-[3-(Dimethylamino)propyl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide","","CN1C(=CC(=N1)NC(=O)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C(=O)NCCCN(C)C","KTJXZJPOJGFDAY-UHFFFAOYSA-N","405407",NA,"PDBC43166","722649","Present"
-"N-[3-(Dimethylamino)propyl]-5-[[4-[[4-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-2-methylpyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]-5-[[4-[[4-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]ami","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=NN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","HHCOSHCWMAVZGH-UHFFFAOYSA-N","405411",NA,"PDBC43167","722653","Present"
-"N-[3-(Dimethylamino)propyl]naphthalene-1-carboxamide","","","","","","","","","","","","","","","","","","","","ZLXYCAQGOXUPPI-UHFFFAOYSA-N","","CN(C)CCCNC(=O)C1=CC=CC2=CC=CC=C21","ZLXYCAQGOXUPPI-UHFFFAOYSA-N","375877",NA,"PDBC43168","656191","Present"
-"N-[3-(Dimethylamino)propyl]phenazine-1-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-(Dimethylamino)propyl]phenazine-1-carboxamide;hydrochloride","","CN(C)CCCNC(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21.Cl","FZSGELCSYYTNBS-UHFFFAOYSA-N","358168",NA,"PDBC43169","617985","Present"
-"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]-4-fluorobenzamide","","","","","","","","","","","","","","","","","","","","N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]-4-fluorobenzamide","","CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=C(C=C3)F","ZFGAEDYHZYWSJN-UHFFFAOYSA-N","377405",NA,"PDBC43170","658848","Present"
-"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]-4-methoxybenzamide","","","","","","","","","","","","","","","","","","","","N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]-4-methoxybenzamide","","CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=C(C=C3)OC","RYUNJNABVVIRGA-UHFFFAOYSA-N","377417",NA,"PDBC43171","658860","Present"
-"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]benzamide","","CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=CC=C3","DQZTZWKPXFODJF-UHFFFAOYSA-N","377412",NA,"PDBC43172","658855","Present"
-"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]butanamide","","","","","","","","","","","","","","","","","","","","N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]butanamide","","CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC","FCPAGJIWAOGAMI-UHFFFAOYSA-N","377414",NA,"PDBC43173","658857","Present"
-"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]propanamide","","","","","","","","","","","","","","","","","","","","N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]propanamide","","CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC","DQAVXMSCTHLEHQ-UHFFFAOYSA-N","377419",NA,"PDBC43174","658862","Present"
-"N-[3-(Hydrazinecarbonyl)-2,4,5-triphenyl-4H-pyrazol-3-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[3-(Hydrazinecarbonyl)-2,4,5-triphenyl-4H-pyrazol-3-yl]benzamide","","C1=CC=C(C=C1)C2C(=NN(C2(C(=O)NN)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","XGTAMSXGRUCMLO-UHFFFAOYSA-N","396296",NA,"PDBC43175","702000","Present"
-"N-[3-(Methylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanethioamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-(Methylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanethioamide;hydrochloride","","CC1=CN(C(=O)NC1=O)CC(=S)NCCCNC.Cl","OYCFQCKVSBPEMX-UHFFFAOYSA-N","5470518",NA,"PDBC43176","702408","Present"
-"N-[3-(Methylthio)propyl]-2-oxo-3-[(3,5-dimethyl-1H-pyrrole-2-yl)methylene]indoline-5-carboxamide","","","","","","","","","","","","","","","","","","","","(Z)-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-N-(3-(met...","","CC1=CC(=C(N1)C=C2C3=C(C=CC(=C3)C(=O)NCCCSC)NC2=O)C","ABLAJTWOWSSMFU-WJDWOHSUSA-N","56932525",NA,"PDBC43177","774914","Present"
-"N-[3-(Naphthalen-1-ylamino)quinoxalin-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-(1-Naphthylamino)-2-quinoxalinyl)benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC5=CC=CC=C54","QZVRBOHELCXCOK-UHFFFAOYSA-N","389581",NA,"PDBC43178","685886","Present"
-"N-[3-(Naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-(Naphthalen-2-ylamino)quinoxalin-2-yl) benzenesulfo...","","C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=CC=CC=C5C=C4","SKLSHCWBXLGPEZ-UHFFFAOYSA-N","389582",NA,"PDBC43179","685887","Present"
-"N-[3-(Tert-butylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-(Tert-butylamino)-1,4-dioxonaphthalen-2-yl]acetamide","","CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(C)(C)C","CNRIMGNFZDCTGL-UHFFFAOYSA-N","374280",NA,"PDBC43180","651781","Present"
-"N-[3-Amino-2,3-e]pyri midin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-Amino-2,3-dihydro-6-(thien-3-yl)-4-oxothieno[2,3-e]...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2N)SC(=C3)C4=CSC=C4","YQBFDUGRRBOJSW-UHFFFAOYSA-N","24202748",NA,"PDBC43181","725847","Present"
-"N-[3-Benzyl-3,3-e]pyrimidin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-Benzyl-3,4-dihydro-4-oxothieno[2,3-e]pyrimidin-2-yl...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3","FGWFYZYCRFCCFS-UHFFFAOYSA-N","24202746",NA,"PDBC43182","725845","Present"
-"N-[3-Benzyl-3,4-e]pyrimidin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-Benzyl-3,4-dihydro-4-oxothieno[3,4-e]pyrimidin-2-yl...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CSC=C3C(=O)N2CC4=CC=CC=C4","KXBLDOASQRKYMG-UHFFFAOYSA-N","24202747",NA,"PDBC43183","725846","Present"
-"N-[3-Chloro-2-(2-chloro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(2-chloro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)Cl","ZOODFJBHTYHNCK-UHFFFAOYSA-N","374788",NA,"PDBC43184","653033","Present"
-"N-[3-Chloro-2-(2-hydroxy-naphthalen-1-yl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(2-hydroxy-naphthalen-1-yl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","C1=CC=C2C(=C1)C=CC(=C2C3C(C(=O)N3NC(=O)C4=CC=CC=C4O)Cl)O","DRQSPJXYANHMHN-UHFFFAOYSA-N","374795",NA,"PDBC43185","653040","Present"
-"N-[3-Chloro-2-(2-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(2-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)O","HSFPEPKEBLETNN-UHFFFAOYSA-N","374784",NA,"PDBC43186","653029","Present"
-"N-[3-Chloro-2-(3,4-dimethoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(3,4-dimethoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","COC1=C(C=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)OC","XPDCZPRYRUEWFS-UHFFFAOYSA-N","374793",NA,"PDBC43187","653038","Present"
-"N-[3-Chloro-2-(3-chloro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(3-chloro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)Cl)O","GVALIQHSELKKKI-UHFFFAOYSA-N","374789",NA,"PDBC43188","653034","Present"
-"N-[3-Chloro-2-(3-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(3-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)O)O","WOBGAHDETZNABX-UHFFFAOYSA-N","374791",NA,"PDBC43189","653036","Present"
-"N-[3-Chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","COC1=C(C=CC(=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)O","DNIZVVGRQYNGJF-UHFFFAOYSA-N","374792",NA,"PDBC43190","653037","Present"
-"N-[3-Chloro-2-(4-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(4-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O)O","UOGKILIVBHEGSL-UHFFFAOYSA-N","374790",NA,"PDBC43191","653035","Present"
-"N-[3-Chloro-2-(4-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(4-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl","FGVCQTXATMPVLT-UHFFFAOYSA-N","374785",NA,"PDBC43192","653030","Present"
-"N-[3-Chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide","","COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl","SHZUIMLRNWAUEX-UHFFFAOYSA-N","373551",NA,"PDBC43193","650004","Present"
-"N-[3-Chloro-2-(4-nitro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-(4-nitro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide","","C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-])O","WTESRMWBOCISMY-UHFFFAOYSA-N","374786",NA,"PDBC43194","653031","Present"
-"N-[3-Chloro-2-oxo-4-(3,4,5-trimethoxy-phenyl)-azetidin-1-yl]-2-hydroxy-benzamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-2-oxo-4-(3,4,5-trimethoxy-phenyl)-azetidin-1-yl]-2-hydroxy-benzamide","","COC1=CC(=CC(=C1OC)OC)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl","CWANEKNGPVYVPP-UHFFFAOYSA-N","374794",NA,"PDBC43195","653039","Present"
-"N-[3-Chloro-4-(4-chlorophenoxy)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-4-(4-chlorophenoxy)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine","","COC1=CC(=CC(=C1OC)OC)C=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl","YFGJHIKEQGVIMJ-UHFFFAOYSA-N","392949",NA,"PDBC43196","694163","Present"
-"N-[3-Chloro-4-(4-chlorophenoxy)phenyl]-1-(4-chlorophenyl)methanimine","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-4-(4-chlorophenoxy)phenyl]-1-(4-chlorophenyl)methanimine","","C1=CC(=CC=C1C=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl)Cl","GEPSSSHQLATEQF-UHFFFAOYSA-N","392945",NA,"PDBC43197","694159","Present"
-"N-[3-Chloro-4-(trifluoromethyl)phenyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(3-chloro-4-(trifluoromethyl)phenyl)-6-(3-(4-methylpip...","","CN1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=C(C=C4)C(F)(F)F)Cl","SKXPTSHDNSHRST-UHFFFAOYSA-N","155806913",NA,"PDBC43198","787082","Present"
-"N-[3-Chloro-4-[[2-chloro-3,5-diethyl-4-[[2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyran-6-carbonyl]amino]phenyl]methyl]-2,6-diethylphenyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyran-6-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-Chloro-4-[[2-chloro-3,5-diethyl-4-[[2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyran-6-carbonyl]amino]phenyl]methyl]-2,6-diethylphenyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyran-6-carboxamide","","CCC1=CC(=C(C(=C1NC(=O)C2=CC(=O)CC(O2)C3=CC=C(C=C3)OC)CC)Cl)CC4=C(C(=C(C(=C4)CC)NC(=O)C5=CC(=O)CC(O5)C6=CC=C(C=C6)OC)CC)Cl","NTUPMHSCROQOME-UHFFFAOYSA-N","371570",NA,"PDBC43199","645899","Present"
-"N-[3-Fluoro-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide","","","","","","","","","","","","","","","","","","","","N-(3-fluoro-5-(4-methyl-1H-imidazol-1-yl)phenyl)-4-methy...","","CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5","SDYGMEWQBSWSIW-UHFFFAOYSA-N","71521083",NA,"PDBC43200","762950","Present"
-"N-[3-Formamido-1,3-bis(p-tolylsulfonyl)propyl]formamide","","","","","","","","","","","","","","","","","","","","N-[3-Formamido-1,3-bis(p-tolylsulfonyl)propyl]formamide","","CC1=CC=C(C=C1)S(=O)(=O)C(CC(NC=O)S(=O)(=O)C2=CC=C(C=C2)C)NC=O","DDTMEZWPGDNZMA-UHFFFAOYSA-N","361859",NA,"PDBC43201","625180","Present"
-"N-[3-Furfuryl-3,3-e]pyrimidin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-Furfuryl-3,4-dihydro-4-oxothieno[2,3-e]pyrimidin-2-...","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2CC4=CC=CO4)SC=C3","QWFYSEWCNFXZPT-UHFFFAOYSA-N","24202745",NA,"PDBC43202","725844","Present"
-"N-[3-Methoxy-4-(10H-indolo[3,2-b]quinolin-11-ylamino)phenyl]amidophosphoric acid diphenyl ester","","","","","","","","","","","","","","","","","","","","4-N-Diphenoxyphosphoryl-1-N-(10H-indolo[3,2-b]quinolin-11-yl)-2-methoxybenzene-1,4-diamine","","COC1=C(C=CC(=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)NC4=C5C(=NC6=CC=CC=C64)C7=CC=CC=C7N5","KOUXEZNGSRQALN-UHFFFAOYSA-N","396276",NA,"PDBC43203","701973","Present"
-"N-[3-Methoxy-4-(3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-Methoxy-4-(3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride","","COC1=C(C=CC(=C1)NS(=O)(=O)C)N2CC3=C4C(=CC=C5C4=C2C=CN5)N=C3.Cl","KVFYOEACJXUVRO-UHFFFAOYSA-N","397567",NA,"PDBC43204","705890","Present"
-"N-[3-Methoxy-4-(6-methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-Methoxy-4-(6-methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride","","CC1=CC2=C3C(=CC=C4C3=C(CN2C5=C(C=C(C=C5)NS(=O)(=O)C)OC)C=N4)N1.Cl","NQCVWCAEHHOHCT-UHFFFAOYSA-N","397571",NA,"PDBC43205","705892","Present"
-"N-[3-Methoxy-4-(6H-pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-Methoxy-4-(6H-pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide","","COC1=C(C=CC(=C1)NS(=O)(=O)C)NCC2=C3C4=CC=CNC4=CC=C3N=C2","XNYXMCWREARWCR-UHFFFAOYSA-N","398515",NA,"PDBC43206","708426","Present"
-"N-[3-Methoxy-4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-Methoxy-4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride","","COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C4=CC=NC4=CC=C3NC=C2.Cl","PLPZACPDWATGMX-UHFFFAOYSA-N","397559",NA,"PDBC43207","705886","Present"
-"N-[3-Methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-Methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide","","CC1=CC=C2C(=CC=C3C2=C(C=N3)CNC4=C(C=C(C=C4)NS(=O)(=O)C)OC)N1","MPAUJBBBVBOTLS-UHFFFAOYSA-N","398517",NA,"PDBC43208","708428","Present"
-"N-[3-Methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-Methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride","","CC1=CC(=C2C3=CC=NC3=CC=C2N1)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.Cl","MTOLUPWFLJPOND-UHFFFAOYSA-N","397563",NA,"PDBC43209","705888","Present"
-"N-[3-Methoxy-4-[[7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-10H-indolo[3,2-b]quinolin-11-yl]amino]phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-Methoxy-4-[[7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-10H-indolo[3,2-b]quinolin-11-yl]amino]phenyl]methanesulfonamide","","COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C(=NC4=CC=CC=C42)C5=C(N3)C=CC(=C5)NC6C(C(C(C(O6)CO)O)O)O","CLJYZHCDEHGXHG-UHFFFAOYSA-N","5465490",NA,"PDBC43210","649677","Present"
-"N-[3-Methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylmethanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-Methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylmethanesulfonamide","","CC1=CN(C2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]","DORAZGZDLINUQM-UHFFFAOYSA-N","396978",NA,"PDBC43211","704215","Present"
-"N-[3-[(4-Chloro-3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[3-[(4-Chloro-3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide","","CC1=C(C=CC(=C1)OCC2=NN=C3N2N=C(S3)NC(=O)C4=CC=CC=C4)Cl","RRUXEZBNVXLODK-UHFFFAOYSA-N","400835",NA,"PDBC43212","713341","Present"
-"N-[3-[(4-Chlorophenyl)methyl]-1-methyl-5-oxo-1,2,4-triazol-4-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-[(4-Chlorophenyl)methyl]-1-methyl-5-oxo-1,2,4-triazol-4-yl]acetamide","","CC(=O)NN1C(=NN(C1=O)C)CC2=CC=C(C=C2)Cl","RXFKIDXZPCDRHM-UHFFFAOYSA-N","384490",NA,"PDBC43213","674323","Present"
-"N-[3-[(4-Chlorophenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-[(4-Chlorophenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide","","CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=C(C=C3)Cl","NCKFSHOUHFVUOL-UHFFFAOYSA-N","374264",NA,"PDBC43214","651765","Present"
-"N-[3-[(4-Methoxyphenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-[(4-Methoxyphenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide","","CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=C(C=C3)OC","PGONJRZDVLPWET-UHFFFAOYSA-N","374265",NA,"PDBC43215","651766","Present"
-"N-[3-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]-4-methoxyphenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]-4-methoxyphenyl]acetamide","","CC(=O)NC1=CC(=C(C=C1)OC)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","ZPHNNBIOKWFMSO-DHRITJCHSA-N","5470512",NA,"PDBC43216","702361","Present"
-"N-[3-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide","","CC(=O)NC1=CC(=CC=C1)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","FQZGVUZAIWTZKW-ZMOGYAJESA-N","5470508",NA,"PDBC43217","702357","Present"
-"N-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine","","CC(=NOC)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","CIXWBIQSPWKJFF-YDZHTSKRSA-N","9572575",NA,"PDBC43218","720566","Present"
-"N-[3-[(Z)-N-Methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine","","","","","","","","","","","","","","","","","","","","N-[3-[(Z)-N-Methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine","","CC(=NOC)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4","QHCLTICCHDALMM-MBTHVWNTSA-N","9572585",NA,"PDBC43219","721041","Present"
-"N-[3-[2-(Dimethylamino)ethylamino]-1,4-dioxonaphthalen-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[3-[2-(Dimethylamino)ethylamino]-1,4-dioxonaphthalen-2-yl]acetamide","","CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCCN(C)C","HFKQOPNYWJJXKP-UHFFFAOYSA-N","374262",NA,"PDBC43220","651763","Present"
-"N-[3-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-1-phenylmethanimine oxide","","","","","","","","","","","","","","","","","","","","N-[3-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-1-phenylmethanimine oxide","","CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=CC3=CC=CC=C3)[O-])C(=O)OC","PYVQNUJFPJYNPU-WGARJPEWSA-N","5467962",NA,"PDBC43221","661053","Present"
-"N-[3-[3-(2H-Benzo[g]indazole-3-carbonylamino)propyl-methylamino]propyl]-2H-benzo[g]indazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-[3-(2H-Benzo[g]indazole-3-carbonylamino)propyl-methylamino]propyl]-2H-benzo[g]indazole-3-carboxamide","","CN(CCCNC(=O)C1=C2C=CC3=CC=CC=C3C2=NN1)CCCNC(=O)C4=C5C=CC6=CC=CC=C6C5=NN4","DFNQOTXQSPUHRZ-UHFFFAOYSA-N","402072",NA,"PDBC43222","715767","Present"
-"N-[3-[3-(Nonanoylamino)propylamino]propyl]nonanamide","","","","","","","","","","","","","","","","","","","","N-[3-[3-(Nonanoylamino)propylamino]propyl]nonanamide","","CCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCC","KYFZBAKGUDDFHT-UHFFFAOYSA-N","372549",NA,"PDBC43223","647760","Present"
-"N-[3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxopropyl]-3,5-dichlorobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxopropyl]-3,5-dichlorobenzenesulfonamide","","CCCCCCCCCCCCOC1C2C(OC1C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NS(=O)(=O)C6=CC(=CC(=C6)Cl)Cl)OC(O2)(C)C","WJMKNBWTBXKSRL-UHFFFAOYSA-N","45028446",NA,"PDBC43224","742860","Present"
-"N-[3-[4-(3-Aminopropyl)piperazin-1-yl]propyl]-11H-indolo[3,2-c]quinolin-6-amine","","","","","","","","","","","","","","","","","","","","N-[3-[4-(3-Aminopropyl)piperazin-1-yl]propyl]-11H-indolo[3,2-c]quinolin-6-amine","","C1CN(CCN1CCCN)CCCNC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4","XJCAAZGZKVKEMB-UHFFFAOYSA-N","24205778",NA,"PDBC43225","736613","Present"
-"N-[3-[4-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-[4-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide","","C1=CC=C2C(=C1)C=C(N2)C(=O)NCCCOC3=CC=C(C=C3)C#CC=CC#CC4=CC=CC=C4N","YHSIXAXEEMBGII-UPHRSURJSA-N","24203495",NA,"PDBC43226","728271","Present"
-"N-[3-[4-[(Z)-6-(2-Cyanophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-[4-[(Z)-6-(2-Cyanophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide","","C1=CC=C2C(=C1)C=C(N2)C(=O)NCCCOC3=CC=C(C=C3)C#CC=CC#CC4=CC=CC=C4C#N","DIRBKHRIJUCUFK-UPHRSURJSA-N","24203205",NA,"PDBC43227","727185","Present"
-"N-[3-[4-[3-(Naphthalene-1-carbonylamino)propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-[4-[3-(Naphthalene-1-carbonylamino)propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide","","C1CN(CCN1CCCNC(=O)C2=CC=CC3=CC=CC=C32)CCCNC(=O)C4=CC=CC5=CC=CC=C54","UHAKJHCEGCIVSA-UHFFFAOYSA-N","364099",NA,"PDBC43228","629740","Present"
-"N-[3-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-oxopropyl]-2-(4-benzoylphenyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[3-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-oxopropyl]-2-(4-benzoylphenyl)acetamide","","C1CN(CCN1CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)C(=O)CCNC(=O)CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6","IKKWZVWKXUWXRA-UHFFFAOYSA-N","386360",NA,"PDBC43229","678156","Present"
-"N-[3-[6-(Cyclopropylamino)purin-9-yl]propyl]hydroxylamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-[6-(Cyclopropylamino)purin-9-yl]propyl]hydroxylamine;hydrochloride","","C1CC1NC2=C3C(=NC=N2)N(C=N3)CCCNO.Cl","FHCGMRFDGFNYPL-UHFFFAOYSA-N","396002",NA,"PDBC43230","701173","Present"
-"N-[3-[6-Amino-4-(2-chlorophenyl)-5-cyanopyridin-2-yl]phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-[6-Amino-4-(2-chlorophenyl)-5-cyanopyridin-2-yl]phenyl]methanesulfonamide","","CS(=O)(=O)NC1=CC=CC(=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3Cl)C#N)N","WFFQHAWEAKUCQQ-UHFFFAOYSA-N","60147748",NA,"PDBC43231","752343","Present"
-"N-[3-[6-Amino-5-cyano-4-(2-hydroxy-3-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-[6-Amino-5-cyano-4-(2-hydroxy-3-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide","","COC1=CC=CC(=C1O)C2=CC(=NC(=C2C#N)N)C3=CC(=CC=C3)NS(=O)(=O)C","JXCVWNMMMPFAFY-UHFFFAOYSA-N","136040123",NA,"PDBC43232","752346","Present"
-"N-[3-[6-Amino-5-cyano-4-(4-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-[6-Amino-5-cyano-4-(4-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide","","COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC(=CC=C3)NS(=O)(=O)C","QOMQBMRBVJIEGL-UHFFFAOYSA-N","60147749",NA,"PDBC43233","752344","Present"
-"N-[3-[6-Amino-5-cyano-4-[4-(dimethylamino)phenyl]pyridin-2-yl]phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[3-[6-Amino-5-cyano-4-[4-(dimethylamino)phenyl]pyridin-2-yl]phenyl]methanesulfonamide","","CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC(=CC=C3)NS(=O)(=O)C","UKLRGEOCJOIZCS-UHFFFAOYSA-N","60147750",NA,"PDBC43234","752345","Present"
-"N-[3-[Bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-[Bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCCN(CCO)CCO)NC4=CC=C(C=C4)S(=O)(=O)N","ZXXSWUJLRCEGRM-UHFFFAOYSA-N","384536",NA,"PDBC43235","674507","Present"
-"N-[3-[Bis(2-hydroxyethyl)amino]propyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-[Bis(2-hydroxyethyl)amino]propyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCCN(CCO)CCO)C","NQXBFZFDTRTQHF-UHFFFAOYSA-N","384535",NA,"PDBC43236","674506","Present"
-"N-[3-[Methyl-[3-[(1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[3-[Methyl-[3-[(1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carboxamide","","CN(CCCNC(=O)C1=NN(C2=C1CC3=CC=CC=C32)C4=CC=CC=C4)CCCNC(=O)C5=NN(C6=C5CC7=CC=CC=C76)C8=CC=CC=C8","LPGLEYFWQGGWEJ-UHFFFAOYSA-N","399550",NA,"PDBC43237","710414","Present"
-"N-[3-[Methyl-[3-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[3-[Methyl-[3-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride","","CN(CCCNC(=O)C1=NN(C2=C1C=CC3=CC=CC=C32)C4=CC=CC=C4)CCCNC(=O)C5=NN(C6=C5C=CC7=CC=CC=C76)C8=CC=CC=C8.Cl","MUKTULSCHXIHKE-UHFFFAOYSA-N","402064",NA,"PDBC43238","715763","Present"
-"N-[3-[[(5,6-Diphenyl-1,2,4-triazin-3-yl)amino]carbamoyl]-2,4,5-triphenyl-4H-pyrazol-3-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[3-[[(5,6-Diphenyl-1,2,4-triazin-3-yl)amino]carbamoyl]-2,4,5-triphenyl-4H-pyrazol-3-yl]benzamide","","C1=CC=C(C=C1)C2C(=NN(C2(C(=O)NNC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","SDPCVQJBHCOAHU-UHFFFAOYSA-N","396297",NA,"PDBC43239","702001","Present"
-"N-[3-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propyl]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","1H-Indole-2-carboxamide, N-[3-[[2,3,5,11a-tetrahydro-7-m...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCNC(=O)C4=CC5=CC=CC=C5N4","BKVDSHOSVMYYSK-KRWDZBQOSA-N","396779",NA,"PDBC43240","703558","Present"
-"N-[3-[[2-[4-[2-(Difluoromethoxy)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","N-[3-[[2-[4-[2-(difluoromethoxy)ethoxy]anilino]-5-fluoro...","","C=CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)OCCOC(F)F","XMQWXTXYQDCJRW-UHFFFAOYSA-N","155813727",NA,"PDBC43241","782919","Present"
-"N-[3-[[3-Benzoyl-4-(4-tolylacetylamino)phenyl]amino]-3-oxopr opyl]-4-phenylcinnamic acid amide","","","","","","","","","","","","","","","","","","","","N-[3-[[3-benzoyl-4-(4-tolylacetylamino)phenyl]amino]-3-o...","","CC1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)NC(=O)C=CNC(=O)C=CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","LFHSUJWYRQPOAS-HLCHKBGQSA-N","5472582",NA,"PDBC43242","720288","Present"
-"N-[3-[[4-[3-(3-Methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-(3-((4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)p...","","COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCCNS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5","TVSNECGFTYBNFM-UHFFFAOYSA-N","155816778",NA,"PDBC43243","783554","Present"
-"N-[4,5-Dimethoxy-2-(propylcarbamoyl)phenyl]adamantane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4,5-Dimethoxy-2-(propylcarbamoyl)phenyl]adamantane-1-carboxamide","","CCCNC(=O)C1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)C3)OC)OC","BYCYKFZHTFPAPA-UHFFFAOYSA-N","401145",NA,"PDBC43244","714091","Present"
-"N-[4-(1,3-Benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-Benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide","","COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=C(C=C4)Cl","YAIBRAHRRPSSJE-UHFFFAOYSA-N","54613630",NA,"PDBC43245","750802","Present"
-"N-[4-(1,3-Benzothiazol-2-yl)-3-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-Benzothiazol-2-yl)-3-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide","","C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl)Cl","AXCAOCRLJVKZRE-UHFFFAOYSA-N","22781840",NA,"PDBC43246","750838","Present"
-"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CC4=CC=CN4","KUIHLTNGULKXLU-UHFFFAOYSA-N","402462",NA,"PDBC43247","716433","Present"
-"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-(furan-2-yl)methanimine","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-(furan-2-yl)methanimine","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CC4=CC=CO4","HWQBJUBROZSFFQ-UHFFFAOYSA-N","402447",NA,"PDBC43248","716417","Present"
-"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CC4=CC=CS4","LSVWSSMVUGMPMU-UHFFFAOYSA-N","402448",NA,"PDBC43249","716418","Present"
-"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide","","C1=CC=C(C=C1)C2=CN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5","FRAJCJVTYFAHQQ-UHFFFAOYSA-N","60147874",NA,"PDBC43250","752761","Present"
-"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-(2,6-dichloroanilino)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(2,6-dichlorophen...","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CNC4=C(C=CC=C4Cl)Cl","YJTFOJXCVUKZQM-UHFFFAOYSA-N","155811604",NA,"PDBC43251","780168","Present"
-"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-(4-chloroanilino)acetamide","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)a...","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CNC4=CC=C(C=C4)Cl","GEOIPJJPOXRWSN-UHFFFAOYSA-N","155808484",NA,"PDBC43252","780167","Present"
-"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-N-hydroxyacetamide","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-N-hydroxyacetamide","","CC(=O)N(C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)O","PCSKRYKXMOEAFH-UHFFFAOYSA-N","395432",NA,"PDBC43253","699970","Present"
-"N-[4-(1,3-Benzothiazol-2-yl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","NCIMech_000040","","CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2","SMYRLHVRGXBMTQ-UHFFFAOYSA-N","233871",NA,"PDBC43254","33006","Present"
-"N-[4-(1,3-Benzoxazol-2-yl)phenyl]-1-(furan-2-yl)methanimine","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-Benzoxazol-2-yl)phenyl]-1-(furan-2-yl)methanimine","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N=CC4=CC=CO4","OWLSUYDSTXAEEJ-UHFFFAOYSA-N","402459",NA,"PDBC43255","716430","Present"
-"N-[4-(1,3-Benzoxazol-2-yl)phenyl]-N'-(4-chlorophenyl)imidofo rmamide","","","","","","","","","","","","","","","","","","","","N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(4-chlorophenyl)imi...","","C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC=NC4=CC=C(C=C4)Cl","ADLRCJKUDSIDCU-UHFFFAOYSA-N","24203813",NA,"PDBC43256","729672","Present"
-"N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine","","","","","","","","","","","","","","","","","","","","N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=CC4=CC=CN4","DSHQQZZOLPORBA-UHFFFAOYSA-N","402461",NA,"PDBC43257","716432","Present"
-"N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine","","","","","","","","","","","","","","","","","","","","N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine","","COC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)OC","KAXYLEJZLZXRAM-UHFFFAOYSA-N","402060",NA,"PDBC43258","715756","Present"
-"N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(furan-2-yl)methanimine","","","","","","","","","","","","","","","","","","","","N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(furan-2-yl)methanimine","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=CC4=CC=CO4","JTMONLSDLSTJGG-UHFFFAOYSA-N","402460",NA,"PDBC43259","716431","Present"
-"N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine","","","","","","","","","","","","","","","","","","","","N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=CC4=CC=CS4","AQFKJNNGIKHJDZ-UHFFFAOYSA-N","402058",NA,"PDBC43260","715754","Present"
-"N-[4-(1H-Benzimidazol-2-yl)phenyl]-4-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","[4-(1H-Benzoimidazol-2-yl)-phenyl]-[4-(4-fluoro-phenyl)-...","","C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)F","PJQUZTXDFLIJNA-UHFFFAOYSA-N","127044246",NA,"PDBC43261","787250","Present"
-"N-[4-(1H-Benzimidazol-2-yl)phenyl]-4-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine","","","","","","","","","","","","","","","","","","","","[4-(1H-Benzoimidazol-2-yl)-phenyl]-[4-(4-methoxy-phenyl)...","","COC1=CC=C(C=C1)C2=NC(=NC(=N2)N3CCOCC3)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","KNJLQVAZXLSHMT-UHFFFAOYSA-N","155807562",NA,"PDBC43262","787249","Present"
-"N-[4-(1H-Benzimidazol-2-yl)phenyl]-6-pyrrolidin-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","[4-(1H-Benzoimidazol-2-yl)-phenyl]-(6-pyrrolidin-1-yl-1H...","","C1CCN(C1)C2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","YLMHQPLSGVCFCO-UHFFFAOYSA-N","155810990",NA,"PDBC43263","788161","Present"
-"N-[4-(1H-Benzo[d]imidazol-2-yl)phenyl]-N'-(4-chlorophenyl)im idoformamide","","","","","","","","","","","","","","","","","","","","N-[4-(1H-benzo[d]imidazol-2-yl)phenyl]-N'-(4-chloropheny...","","C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC=NC4=CC=C(C=C4)Cl","DGZSCFNGLCMPPI-UHFFFAOYSA-N","24203851",NA,"PDBC43264","729792","Present"
-"N-[4-(2,4-Dinitrophenoxy)phenyl]-2,4-dinitroaniline","","","","","","","","","","","","","","","","","","","","Benzenamine, N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitro-","","C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","CMNWVSMJEYBPCQ-UHFFFAOYSA-N","294848",NA,"PDBC43265","163910","Present"
-"N-[4-(2-Amino-1,3-thiazol-4-yl)phenyl]-4-chloro-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-(2-Amino-1,3-thiazol-4-yl)phenyl]-4-chloro-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)Cl","NZAIUHBCINHWME-UHFFFAOYSA-N","402380",NA,"PDBC43266","716292","Present"
-"N-[4-(2-Aminoethylcarbamoyl)phenyl]-3,5-ditert-butylbenzamide","","","","","","","","","","","","","","","","","","","","N-(4-((2-aminoethyl)carbamoyl)phenyl)-3,5-di-tert-butylb...","","CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCCN)C(C)(C)C","IKCHUFPAFZFUST-UHFFFAOYSA-N","134153657",NA,"PDBC43267","783187","Present"
-"N-[4-(2-Benzoyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-(2-Benzoyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","CHEUPGZLJYVLCW-UHFFFAOYSA-N","402370",NA,"PDBC43268","716282","Present"
-"N-[4-(2-Benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-(2-Benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CS4)C(=O)C5=CC=CC=C5","VIKOCWSZFQYGNC-UHFFFAOYSA-N","402372",NA,"PDBC43269","716284","Present"
-"N-[4-(2-Chloro-benzylidene)-1-(2,4-dioxo-chroman-3-ylidenemethyl)-3-methyl-5-oxo-imidazolidin-2-ylidene]-acetamide","","","","","","","","","","","","","","","","","","","","N-[(4Z)-4-[(2-Chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide","","CC(=O)N=C1N(C(=CC2=CC=CC=C2Cl)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O)C","JPGQVJYUUXYLIE-DSSLYWTHSA-N","9574811",NA,"PDBC43270","658494","Present"
-"N-[4-(2-Piperidinoethoxy)phenyl]-3-amino-1,8-naphthalimide","","","","","","","","","","","","","","","","","","","","N-[4-(2-Piperidinoethoxy)phenyl]-3-amino-1,8-naphthalimide","","C1CCN(CC1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)N","HKDJHWLQLZKDKT-UHFFFAOYSA-N","388037",NA,"PDBC43271","682468","Present"
-"N-[4-(2-Pyrrolidinoethoxy)phenyl]-3-amino-1,8-naphthalimide","","","","","","","","","","","","","","","","","","","","N-[4-(2-Pyrrolidinoethoxy)phenyl]-3-amino-1,8- naphthali...","","C1CCN(C1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)N","AHMXYSXWUPEGAH-UHFFFAOYSA-N","388036",NA,"PDBC43272","682467","Present"
-"N-[4-(3,7,12-Triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[4-(3,7,12-Triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride","","CS(=O)(=O)NC1=CC=C(C=C1)N2CC3=C4C(=CC=C5C4=C2C=CN5)N=C3.Cl","HKXWSIHMHSJPFV-UHFFFAOYSA-N","397565",NA,"PDBC43273","705889","Present"
-"N-[4-(3-Benzamidopropylamino)butyl]benzamide","","","","","","","","","","","","","","","","","","","","Not Available","","C1=CC=C(C=C1)C(=O)NCCCCNCCCNC(=O)C2=CC=CC=C2","LMCPFFPDMJWFKE-UHFFFAOYSA-N","389617",NA,"PDBC43274","685963","Present"
-"N-[4-(4-Aminophenyl)-1,3-thiazol-2-yl]-4-chloro-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-(4-Aminophenyl)-1,3-thiazol-2-yl]-4-chloro-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N)Cl","LZRDVOLZHYSDQR-UHFFFAOYSA-N","402729",NA,"PDBC43275","716923","Present"
-"N-[4-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]-4-(4-morpholin-4-yl)-3-trifluoromethylbenzamide","","","","","","","","","","","","","","","","","","","","N-[4-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]...","","C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6)C(F)(F)F","PGEQQHFHAQPHLF-UHFFFAOYSA-N","53361478",NA,"PDBC43276","752892","Present"
-"N-[4-(4-Bromophenyl)-3-(2,5-dimethylphenyl)-1,3-thiazol-2-ylidene]-2-fluorobenzamide","","","","","","","","","","","","","","","","","","","","N-[4-(4-Bromophenyl)-3-(2,5-dimethylphenyl)-1,3-thiazol-2-ylidene]-2-fluorobenzamide","","CC1=CC(=C(C=C1)C)N2C(=CSC2=NC(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)Br","GVWMBCLHJIYYIV-UHFFFAOYSA-N","287145",NA,"PDBC43277","146557","Present"
-"N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide","","","","","","","","","","","","","","","","","","","","N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide","","CC1=C(N(C(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)OC)C","XYAISKQFVIDQGK-UHFFFAOYSA-N","54613443",NA,"PDBC43278","751271","Present"
-"N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3,4,5-trihydroxybenzamide","","","","","","","","","","","","","","","","","","","","N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-3,4,5-trihydroxy-be...","","C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)O)O)O)Cl","OXRFMHYWNDKUGV-UHFFFAOYSA-N","155806570",NA,"PDBC43279","773206","Present"
-"N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide","","","","","","","","","","","","","","","","","","","","N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-3,4-dihydroxy-benza...","","C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)O)O)Cl","BKNXROVBAOOXIG-UHFFFAOYSA-N","155809711",NA,"PDBC43280","773203","Present"
-"N-[4-(4-Ethylpiperazin-1-yl)phenyl]-3-methyltriazolo[4,5-f]quinolin-9-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[4-(4-Ethylpiperazin-1-yl)phenyl]-3-methyltriazolo[4,5-f]quinolin-9-amine;hydrochloride","","CCN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=NC=C3)C=CC5=C4N=NN5C.Cl","MEDOVLWSMQPQQJ-UHFFFAOYSA-N","387991",NA,"PDBC43281","682356","Present"
-"N-[4-(4-Fluorophenoxy)-3-pyridylsulfonyl]-N'-(3,4-dichlorophenyl)urea monoethanolate","","","","","","","","","","","","","","","","","","","","N-[4-(4-Fluorophenoxy)-3-pyridylsulfonyl]-N'-(3,4-dichlo...","","C1=CC(=CC=C1OC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)F","ZYARUYWKWCMFDG-UHFFFAOYSA-N","45028897",NA,"PDBC43282","744703","Present"
-"N-[4-(5-Amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]-2-(dimethylamino)acetamide","","","","","","","","","","","","","","","","","","","","4H-1-Benzopyran-4-one, 5-amino-6,8-difluoro-7-methyl-2-[...","","CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)CN(C)C)F)N)F","IJPDXUWFXMQOGZ-UHFFFAOYSA-N","397281",NA,"PDBC43283","704823","Present"
-"N-[4-(6-Methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[4-(6-Methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride","","CC1=CC2=C3C(=CC=C4C3=C(CN2C5=CC=C(C=C5)NS(=O)(=O)C)C=N4)N1.Cl","WPUKINWYCJBAAJ-UHFFFAOYSA-N","397569",NA,"PDBC43284","705891","Present"
-"N-[4-(6H-Pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-(6H-Pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide","","CS(=O)(=O)NC1=CC=C(C=C1)NCC2=C3C4=CC=CNC4=CC=C3N=C2","UYTWCIBLQSNTFR-UHFFFAOYSA-N","398514",NA,"PDBC43285","708425","Present"
-"N-[4-(6H-Pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[4-(6H-Pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride","","CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C4=CC=NC4=CC=C3NC=C2.Cl","XYZSIZKUYHPFFV-UHFFFAOYSA-N","397557",NA,"PDBC43286","705885","Present"
-"N-[4-(9-Acridinylmethyl)-3-methoxyphenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","NSC758423","","COC1=C(C=CC(=C1)NS(=O)(=O)C)CC2=C3C=CC=CC3=NC4=CC=CC=C42","JRNUZHHDXNSOMO-UHFFFAOYSA-N","3926765",NA,"PDBC43287","758423","Present"
-"N-[4-(Acetylsulfamoyl)phenyl]acridine-9-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Acetylsulfamoyl)phenyl]acridine-9-carboxamide","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42","GUVNXFAPTYIDAJ-UHFFFAOYSA-N","392367",NA,"PDBC43288","692651","Present"
-"N-[4-(Cycloheptylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfonyl-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","2-[(4-fluorophenyl)sulfonyl]-N-[4-(cycloheptylsulfamoyl)...","","C1CCCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F","FTXVHRXCHNRRMP-UHFFFAOYSA-N","155813253",NA,"PDBC43289","791540","Present"
-"N-[4-(Diaminomethylideneamino)sulfonylphenyl]-10-methylacridin-10-ium-9-carboxamide;methyl sulfate","","","","","","","","","","","","","","","","","","","","N-[4-(Diaminomethylideneamino)sulfonylphenyl]-10-methylacridin-10-ium-9-carboxamide;methyl sulfate","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N.COS(=O)(=O)[O-]","ABHYVPGDNQBBSK-UHFFFAOYSA-N","393810",NA,"PDBC43290","696573","Present"
-"N-[4-(Diaminomethylideneamino)sulfonylphenyl]acridine-9-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Diaminomethylideneamino)sulfonylphenyl]acridine-9-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","XVUBFZUVJSLVNH-UHFFFAOYSA-N","392365",NA,"PDBC43291","692649","Present"
-"N-[4-(Diethylaminomethyl)phenyl]acridin-9-amine","","","","","","","","","","","","","","","","","","","","N-[4-(Diethylaminomethyl)phenyl]acridin-9-amine","","CCN(CC)CC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42","GCMNLVJDDKCWEX-UHFFFAOYSA-N","387995",NA,"PDBC43292","682358","Present"
-"N-[4-(Dimethylaminodiazenyl)phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-(4-Dimethylaminodiazenylphenyl)propanamide","","CCC(=O)NC1=CC=C(C=C1)N=NN(C)C","SFVATGHXWOFZOT-UHFFFAOYSA-N","314336",NA,"PDBC43293","231660","Present"
-"N-[4-(Hydroxymethyl)phenyl]-4-oxochromene-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Hydroxymethyl)phenyl]-4-oxochromene-3-carboxamide","","C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)NC3=CC=C(C=C3)CO","CIBJZNSYCWUGCL-UHFFFAOYSA-N","45028031",NA,"PDBC43294","740801","Present"
-"N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]acridine-9-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]acridine-9-carboxamide","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5","AWCZSYCCPWIDID-UHFFFAOYSA-N","392363",NA,"PDBC43295","692647","Present"
-"N-[4-(Quinoxalin-2-ylsulfamoyl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","7ECX3219Y7","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2","HQOJTUJGZNGEJL-UHFFFAOYSA-N","95887",NA,"PDBC43296","41806","Present"
-"N-[4-({[Amino(imino)methyl]amino}sulfonyl)phenyl]-9-[(4-{[(5-methylisoxazol-3-yl)amino]sulfonyl}phenyl)amino]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","4-Acridinecarboxamide, N-[4-[[(aminoiminomethyl)amino] s...","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","JDVMRHDXAJDVGX-UHFFFAOYSA-N","365411",NA,"PDBC43297","633031","Present"
-"N-[4-Amino-1-(2-chloroethyl)-2-naphthyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","1H-Indole-2-carboxamide, N-[4-amino-1-(2-chloroethyl)-2-...","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NC3=C(C4=CC=CC=C4C(=C3)N)CCCl)OC)OC","MNFPZBOQEWMBOK-UHFFFAOYSA-N","9825161",NA,"PDBC43298","716970","Present"
-"N-[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S)N","HVBITWNOVZCXAS-UHFFFAOYSA-N","378489",NA,"PDBC43299","661089","Present"
-"N-[4-Amino-6-(5-methyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-Amino-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","CC1CC=NN1C2=NC(=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S)N","TVHNFOKNVLGAGO-UHFFFAOYSA-N","378490",NA,"PDBC43300","661090","Present"
-"N-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(=NC(=N2)N)N(C)C","IKFJHRYQVHARDM-UHFFFAOYSA-N","378485",NA,"PDBC43301","661085","Present"
-"N-[4-Bromo-2-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-Bromo-2-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide","","COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CS3","ZORGSTDLFSPCIU-UHFFFAOYSA-N","403461",NA,"PDBC43302","718358","Present"
-"N-[4-Chloro-2-(4-chlorobenzoylthio)-5-methylphenylsulfonyl]-N,N-dimethylformamidine","","","","","","","","","","","","","","","","","","","","N-[4-chloro-2-(4-chlorobenzoylthio)-5-methylphenylsulfon...","","CC1=CC(=C(C=C1Cl)SC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N=CN(C)C","DMFLSPVNJARBAQ-KEBDBYFISA-N","24204342",NA,"PDBC43303","731403","Present"
-"N-[4-Chloro-2-(ethylcarbamoyl)phenyl]adamantane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-Chloro-2-(ethylcarbamoyl)phenyl]adamantane-1-carboxamide","","CCNC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3","ORRDAFUMEGFPHE-UHFFFAOYSA-N","401146",NA,"PDBC43304","714092","Present"
-"N-[4-Chloro-2-(hydrazinecarbonyl)phenyl]adamantane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-Chloro-2-(hydrazinecarbonyl)phenyl]adamantane-1-carboxamide","","C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NN","RYRSWANLNKLGDO-UHFFFAOYSA-N","401164",NA,"PDBC43305","714328","Present"
-"N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-(4-hydroxy-2-oxo-chromen-3-yl)-2-oxo-acetamide","","","","","","","","","","","","","","","","","","","","N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-(4-hydroxy-2-oxo-chromen-3-yl)-2-oxo-acetamide","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=O)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)O","HRKSAUQKRCHYCA-UHFFFAOYSA-N","54676285",NA,"PDBC43306","649550","Present"
-"N-[4-Chloro-3-(trifluoromethyl)phenyl]-5-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-chloro-3-(trifluoromethyl)phenyl)-5-(3-(4-methylpip...","","CN1CCN(CC1)CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=C(C=C4)Cl)C(F)(F)F","KWEHZNNQKZTKJN-UHFFFAOYSA-N","155805723",NA,"PDBC43307","780452","Present"
-"N-[4-Chloro-3-(trifluoromethyl)phenyl]-6-(3-morpholin-4-ylpropoxy)quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-chloro-3-(trifluoromethyl)phenyl)-6-(3-morpholinopr...","","C1COCCN1CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=C(C=C4)Cl)C(F)(F)F","YYGAQMQOQYDGBQ-UHFFFAOYSA-N","155805912",NA,"PDBC43308","784157","Present"
-"N-[4-Chloro-3-(trifluoromethyl)phenyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine","","","","","","","","","","","","","","","","","","","","N-(4-chloro-3-(trifluoromethyl)phenyl)-6-(3-(4-methylpip...","","CN1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=C(C=C4)Cl)C(F)(F)F","OOJUTJKINUIJLP-UHFFFAOYSA-N","155810431",NA,"PDBC43309","783452","Present"
-"N-[4-Chloro-5-(2-chloroethyl)-6-methylpyrimidin-2-yl]-1H-benzimidazol-2-amine","","","","","","","","","","","","","","","","","","","","1H-Benzimidazol-2-amine, N-[4-chloro-5-(2-chloroethyl)-6-methyl-2-pyrimidinyl]-","","CC1=C(C(=NC(=N1)NC2=NC3=CC=CC=C3N2)Cl)CCCl","QXLKYOMBVBDREG-UHFFFAOYSA-N","387152",NA,"PDBC43310","680666","Present"
-"N-[4-Chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidin-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-Chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidin-2-yl]acetamide","","CC(=O)NC1=NC(=CC(=N1)Cl)NCC2(CCC2)CO","CQCQQYVCMCLSOO-UHFFFAOYSA-N","385265",NA,"PDBC43311","676376","Present"
-"N-[4-Cloro-3-(T-butyloxome)phenyl-2-methyl-3-furan-carbothiamide","","","","","","","","","","","","","","","","","","","","3-Furancarbothioamide, N-[4-chloro-3-[[(1,1-dimethyletho...","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)(C)C","PLGIIOKXCKDKEU-VXLYETTFSA-N","9554696",NA,"PDBC43312","645129","Present"
-"N-[4-Hydroxy-3-(8-quinolinylthio)-1-naphthyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]benzenesulf...","","C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=CC=CC5=C4N=CC=C5","PQIKPRFFZWZBIW-UHFFFAOYSA-N","1296368",NA,"PDBC43313","780573","Present"
-"N-[4-Methoxy-3-(5-oxopyrrolidin-2-yl)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-Methoxy-3-(5-oxopyrrolidin-2-yl)phenyl]acetamide","","CC(=O)NC1=CC(=C(C=C1)OC)C2CCC(=O)N2","BXTUHIAWFVSARY-UHFFFAOYSA-N","389195",NA,"PDBC43314","684879","Present"
-"N-[4-Methyl-2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]adamantane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-Methyl-2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]adamantane-1-carboxamide","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(C=CC(=C2)C)NC(=O)C34CC5CC(C3)CC(C5)C4","INSNIWQLIFYISU-UHFFFAOYSA-N","403460",NA,"PDBC43315","718357","Present"
-"N-[4-Oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-Oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]pyridine-4-carboxamide","","C1C(=O)N(C(S1)C2=CC=C(C=C2)C(F)(F)F)NC(=O)C3=CC=NC=C3","HHXDVMGZRNLKRJ-UHFFFAOYSA-N","361551",NA,"PDBC43316","624732","Present"
-"N-[4-Pyrrolizino-6-chloro-7-(benzylamino)pteridine-2-yl]-1,2-ethanediamine","","","","","","","","","","","","","","","","","","","","2-N-(2-Aminoethyl)-7-N-benzyl-6-chloro-4-pyrrolidin-1-ylpteridine-2,7-diamine","","C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)NCCN","GSQNRAJKXMJSAD-UHFFFAOYSA-N","403193",NA,"PDBC43317","717847","Present"
-"N-[4-Tert-butyl-1-[(1E,3Z)-hepta-1,3-dienyl]cyclohexyl]-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-Tert-butyl-1-[(1E,3Z)-hepta-1,3-dienyl]cyclohexyl]-4-methylbenzenesulfonamide","","CCCC=CC=CC1(CCC(CC1)C(C)(C)C)NS(=O)(=O)C2=CC=C(C=C2)C","VUDALRJANQXYOU-ABHVWSBLSA-N","5386821",NA,"PDBC43318","618220","Present"
-"N-[4-Tert-butyl-1-[(E)-prop-1-enyl]cyclohexyl]-4-methylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-Tert-butyl-1-[(E)-prop-1-enyl]cyclohexyl]-4-methylbenzenesulfonamide","","CC=CC1(CCC(CC1)C(C)(C)C)NS(=O)(=O)C2=CC=C(C=C2)C","KLSAQKVKVFVPTH-AWNIVKPZSA-N","5386820",NA,"PDBC43319","618219","Present"
-"N-[4-[(1-Methyl-3,6-dihydro-2H-pyridin-4-yl)oxy]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(1-Methyl-3,6-dihydro-2H-pyridin-4-yl)oxy]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)OC2=CCN(CC2)C","RIPDDGOQWVEJPO-UHFFFAOYSA-N","388479",NA,"PDBC43320","683434","Present"
-"N-[4-[(2,2,2-Trifluoroacetyl)amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[4-[(2,2,2-Trifluoroacetyl)amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide","","C1=CC=C(C=C1)C(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","RYICIJADPQFEPF-UHFFFAOYSA-N","389624",NA,"PDBC43321","685970","Present"
-"N-[4-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butyl]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butyl]-1H-indole-2-carboxamide","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCNC(=O)C4=CC5=CC=CC=C5N4","BQFHQEUKXWUMSR-UHFFFAOYSA-N","20826874",NA,"PDBC43322","726365","Present"
-"N-[4-[(2-Phenylpyrazol-3-yl)sulfamoyl]phenyl]acridine-9-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[(2-Phenylpyrazol-3-yl)sulfamoyl]phenyl]acridine-9-carboxamide","","C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=C5C=CC=CC5=NC6=CC=CC=C64","FCPSWSQUMZFULI-UHFFFAOYSA-N","392364",NA,"PDBC43323","692648","Present"
-"N-[4-[(3-Aminoacridin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","Methanesulfonamide, N-[4-[(3-amino-9-acridinyl)amino]phe...","","CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)N.Cl","OWGULQJEIFFGLM-UHFFFAOYSA-N","12999264",NA,"PDBC43324","128579","Present"
-"N-[4-[(3-Chloroacridin-9-yl)amino]phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","Methanesulfonamide, N-[4-[(3-chloro-9-acridinyl)amino]ph...","","CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl.Cl","NXUYLJNWCVNYLN-UHFFFAOYSA-N","12999171",NA,"PDBC43325","143102","Present"
-"N-[4-[(3-Methoxyacridin-9-yl)amino]phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","Methanesulfonamide, N-[4-[(3-methoxy-9-acridinyl)amino]p...","","COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)NS(=O)(=O)C.Cl","IHPUDZSNMQRJEV-UHFFFAOYSA-N","12999166",NA,"PDBC43326","143103","Present"
-"N-[4-[(3-Methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(3-Methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)NC2=CC(=O)N(C(=O)N2)C","USFLFISPBVPQTI-UHFFFAOYSA-N","388641",NA,"PDBC43327","683653","Present"
-"N-[4-[(3-Phenoxyphenyl)methylideneamino]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[4-[(3-Phenoxyphenyl)methylideneamino]phenyl]propanamide","","CCC(=O)NC1=CC=C(C=C1)N=CC2=CC(=CC=C2)OC3=CC=CC=C3","CELNRXFEMHBIBI-UHFFFAOYSA-N","402214",NA,"PDBC43328","716105","Present"
-"N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C5=CC=CC=C5N=C4C=C3)NC6=CC=C(C=C6)S(=O)(=O)N)C","MAPBZANUHODCPE-UHFFFAOYSA-N","385758",NA,"PDBC43329","677152","Present"
-"N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)N)C","WLWWWHBOFNEXAG-UHFFFAOYSA-N","365412",NA,"PDBC43330","633032","Present"
-"N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=CC5=CC=CC=C5N=C43)C","BFCCRFUBHHOGDU-UHFFFAOYSA-N","370669",NA,"PDBC43331","644045","Present"
-"N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-9-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-9-carboxamide","","CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C4C=CC=CC4=NC5=CC=CC=C53)C","KSRNAWGBIYPGAS-UHFFFAOYSA-N","392366",NA,"PDBC43332","692650","Present"
-"N-[4-[(4-Chlorophenyl)sulfonylamino]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4-Chlorophenyl)sulfonylamino]phenyl]propanamide","","CCC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl","HUZGZQTUTCUPSO-UHFFFAOYSA-N","402222",NA,"PDBC43333","716113","Present"
-"N-[4-[(4-Fluorophenyl)amino]-6-morpholino-1,3,5-triazine-2-yl]-1-benzyl-2-methyl-1H-benzoimidazole-5-amine","","","","","","","","","","","","","","","","","","","","N-(1-benzyl-2-methyl-iH-benzimidazol-5-yl)-N'-(4-fluorop...","","CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)N6CCOCC6","ZHMACUZQGCCXKJ-UHFFFAOYSA-N","122219960",NA,"PDBC43334","771656","Present"
-"N-[4-[(4-Methylpiperazin-1-yl)methyl]phenyl]-4-(quinazolin-4-ylamino)-1H-pyrazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(quinazol...","","CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=CC=CC=C54","WSRSUSKJBOADHJ-UHFFFAOYSA-N","137638801",NA,"PDBC43335","781147","Present"
-"N-[4-[(4-Methylpiperazin-1-yl)methyl]phenyl]-4-(thieno[3,2-b]pyridin-7-ylamino)-1H-pyrazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(thieno[3...","","CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C(=NC=C4)C=CS5","KGPALMZNPQDLHX-UHFFFAOYSA-N","155810317",NA,"PDBC43336","781144","Present"
-"N-[4-[(4Z)-4-[(4-Hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4Z)-4-[(4-Hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide","","CCC(=O)NC1=CC=C(C=C1)N2C(=NC(=CC3=CC(=C(C=C3)O)OC)C2=O)C4=CC=CC=C4","MNLQWDMBDYUKBZ-QNGOZBTKSA-N","5472036",NA,"PDBC43337","716117","Present"
-"N-[4-[(4Z)-4-[(4-Methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[4-[(4Z)-4-[(4-Methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide","","CCC(=O)NC1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)OC)C2=O)C4=CC=CC=C4","JPISZJHQSORFKF-QJOMJCCJSA-N","24204102",NA,"PDBC43338","730601","Present"
-"N-[4-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)SC2=NN=C(S2)NC(=O)C","VIKCQGOAXWMTLB-UHFFFAOYSA-N","375373",NA,"PDBC43339","655041","Present"
-"N-[4-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C","YSSVVLOGRXTDDC-UHFFFAOYSA-N","375369",NA,"PDBC43340","655035","Present"
-"N-[4-[(5-Methyl-3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","Methanesulfonamide, N-[4-[(5-methyl-3-nitro-9-acridinyl)...","","CC1=C2C(=CC=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NS(=O)(=O)C.Cl","JBYWNNRDPKNTBT-UHFFFAOYSA-N","12323850",NA,"PDBC43341","135757","Present"
-"N-[4-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","RLLSJXPGZOZYFN-ZVHZXABRSA-N","5470504",NA,"PDBC43342","702353","Present"
-"N-[4-[(7-Methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[(7-Methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide","","CC1=CC=C2C(=CC=C3C2=C(C=N3)CNC4=CC=C(C=C4)NS(=O)(=O)C)N1","KRBZPZFZXHPCKK-UHFFFAOYSA-N","398516",NA,"PDBC43343","708427","Present"
-"N-[4-[(7-Methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[4-[(7-Methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride","","CC1=CC(=C2C3=CC=NC3=CC=C2N1)NC4=CC=C(C=C4)NS(=O)(=O)C.Cl","SSMFDFPFVQHYMB-UHFFFAOYSA-N","397561",NA,"PDBC43344","705887","Present"
-"N-[4-[(E)-(3-Methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(E)-(3-Methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C2N(N=C(S2)S(=O)(=O)N)C","COYOSRWVLQSZNN-XNTDXEJSSA-N","5965597",NA,"PDBC43345","700713","Present"
-"N-[4-[(E)-2-Nitroethenyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","Bio7C8","","CC(=O)NC1=CC=C(C=C1)C=C[N+](=O)[O-]","BWLIIZFNXSJVLW-VOTSOKGWSA-N","5381768",NA,"PDBC43346","122822","Present"
-"N-[4-[(E)-3-[2-[5-[(E)-3-(4-Acetamidophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(E)-3-[2-[5-[(E)-3-(4-Acetamidophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]acetamide","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)C=CC3=CC=C(C=C3)NC(=O)C)C)C(=O)C=CC4=CC=C(C=C4)NC(=O)C","CQHQMBXELPQCLB-KAVGSWPWSA-N","5923475",NA,"PDBC43347","640568","Present"
-"N-[4-[(E)-3-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[(E)-3-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)C=CC(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl","XJQGAAFLJAOXBC-DHZHZOJOSA-N","5470358",NA,"PDBC43348","700013","Present"
-"N-[4-[(E)-Dimethylaminomethylideneamino]sulfonylphenyl]-2-(2-methoxyphenyl)imino-1,3-thiazolidine-3-carbothioamide","","","","","","","","","","","","","","","","","","","","N-[4-[(E)-Dimethylaminomethylideneamino]sulfonylphenyl]-2-(2-methoxyphenyl)imino-1,3-thiazolidine-3-carbothioamide","","CN(C)C=NS(=O)(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2=NC3=CC=CC=C3OC","WBPUJMYTGVYMMV-HVTQBAKBSA-N","9572084",NA,"PDBC43349","702423","Present"
-"N-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine","","CC(=NOC)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","QDOYEFUCJZNINM-YDZHTSKRSA-N","9572573",NA,"PDBC43350","720562","Present"
-"N-[4-[(Z)-N-(Diaminomethylideneamino)-C-propylcarbonimidoyl]phenyl]-5-methoxy-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-{4-[(1e)-N-Carbamimidoylbutanehydrazonoyl]phenyl}-5-Me...","","CCCC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)OC","IFLKHYHIUCIDRM-ITYLOYPMSA-N","57547783",NA,"PDBC43351","776928","Present"
-"N-[4-[(Z)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine","","CC(=NOC)C1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42","PCUKNVFZQNHBBM-YDZHTSKRSA-N","9572569",NA,"PDBC43352","720554","Present"
-"N-[4-[(Z)-[2-(2-Chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]-N-(2-cyanoethyl)methanesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[(Z)-[2-(2-Chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]-N-(2-cyanoethyl)methanesulfonamide","","CS(=O)(=O)N(CCC#N)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3Cl","CEBBGRDDIPFNDL-AQTBWJFISA-N","6477335",NA,"PDBC43353","645661","Present"
-"N-[4-[1,1,4-Trioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[1,1,4-Trioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","ZUZXVWQPDGGKLL-UHFFFAOYSA-N","401417",NA,"PDBC43354","715069","Present"
-"N-[4-[15-(4-Acetamidophenyl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,23-dihydroporphyrin-5-yl]phenyl]acetamide;chloride","","","","","","","","","","","","","","","","","","","","N-[4-[15-(4-Acetamidophenyl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,23-dihydroporphyrin-5-yl]phenyl]acetamide;chloride","","CC(=O)NC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC8=CC=CC=C8[N+](=C7)C)C9=CC=C(C=C9)NC(=O)C)C=C4)C1=CC2=CC=CC=C2[N+](=C1)C)N3.[Cl-]","SIBGZPRINGCUMK-UHFFFAOYSA-O","16129941",NA,"PDBC43355","712202","Present"
-"N-[4-[2-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","BZOPBYDIPQRQIE-UHFFFAOYSA-N","402367",NA,"PDBC43356","716279","Present"
-"N-[4-[2-(2,4-Dinitrophenyl)-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-(2,4-Dinitrophenyl)-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CCOC1=C(C=CC(=C1)C2CC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O","BAAKYBARSNVSLK-UHFFFAOYSA-N","402369",NA,"PDBC43357","716281","Present"
-"N-[4-[2-(2,4-Dinitrophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-(2,4-Dinitrophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","GJOJIEJJEVLOQP-UHFFFAOYSA-N","402366",NA,"PDBC43358","716278","Present"
-"N-[4-[2-(2,4-Dinitrophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-(2,4-Dinitrophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CS4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","KJNSKKVIMVOSRG-UHFFFAOYSA-N","402368",NA,"PDBC43359","716280","Present"
-"N-[4-[2-Benzoyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-Benzoyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4O)C(=O)C5=CC=CC=C5","YUMXNKHKSMTXJU-UHFFFAOYSA-N","402371",NA,"PDBC43360","716283","Present"
-"N-[4-[2-Benzoyl-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-Benzoyl-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CCOC1=C(C=CC(=C1)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O","CBUVBCRJHVTISE-UHFFFAOYSA-N","402373",NA,"PDBC43361","716285","Present"
-"N-[4-[2-[(4Z)-4-Benzylidene-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]-3-chloro-4-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-[(4Z)-4-Benzylidene-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]-3-chloro-4-methoxybenzenesulfonamide","","COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(=NC(=CC5=CC=CC=C5)C4=O)C6=CC=CC=C6)Cl","RKTIYAZGPIMWGE-IMRQLAEWSA-N","5472208",NA,"PDBC43362","716942","Present"
-"N-[4-[2-[(Z)-Benzylideneamino]-1,3-thiazol-4-yl]phenyl]-4-chloro-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-[(Z)-Benzylideneamino]-1,3-thiazol-4-yl]phenyl]-4-chloro-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=CC4=CC=CC=C4)Cl","LSIKWRWKBBATLB-QFEZKATASA-N","9572445",NA,"PDBC43363","716293","Present"
-"N-[4-[2-[2-[[4,6-Bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl-propylamino]-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine","","","","","","","","","","","","","","","","","","","","N-[4-[2-[2-[[4,6-Bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl-propylamino]-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine","","CCCN(CCSSCCNC1=NC(=NC(=N1)N(C)O)N(C)O)C2=NC(=NC(=N2)N(C)O)N(C)O","GNZMMBRUORJHAZ-UHFFFAOYSA-N","45029485",NA,"PDBC43364","746931","Present"
-"N-[4-[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide","","CC1=NC(=CS1)C2=CC(=CC=C2)NC3=NC(=CS3)C4=CC=C(C=C4)NC(=O)C","QRZJFRJYHXPANB-UHFFFAOYSA-N","24203949",NA,"PDBC43365","730248","Present"
-"N-[4-[2-[3-(2-Phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-[3-(2-Phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC(=C3)C4=CSC(=N4)C5=CC=CC=C5","DAFUHYRPTAHURH-UHFFFAOYSA-N","24203954",NA,"PDBC43366","730257","Present"
-"N-[4-[2-[3-[(E)-(1-Oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-[3-[(E)-(1-Oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)C=C3CCC4=CC=CC=C4C3=O","TUVVSFFOGSCTKJ-PXLXIMEGSA-N","45028854",NA,"PDBC43367","744635","Present"
-"N-[4-[2-[4-(2-Phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[2-[4-(2-Phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C4=CSC(=N4)C5=CC=CC=C5","AVOKQAKNAQDCEZ-UHFFFAOYSA-N","24203951",NA,"PDBC43368","730254","Present"
-"N-[4-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-1-phenylmethanimine oxide","","","","","","","","","","","","","","","","","","","","N-[4-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-1-phenylmethanimine oxide","","CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=CC3=CC=CC=C3)[O-])C(=O)OC","BEJXLKBZHRZZGQ-WGARJPEWSA-N","5467963",NA,"PDBC43369","661054","Present"
-"N-[4-[3-(2-Hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[3-(2-Hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4O)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C","IJNQOTWXYWEIOI-UHFFFAOYSA-N","402375",NA,"PDBC43370","716287","Present"
-"N-[4-[3-(3-Ethoxy-4-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[3-(3-Ethoxy-4-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CCOC1=C(C=CC(=C1)C2CC(=NN2S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O","ONSAOTSFIQXERJ-UHFFFAOYSA-N","402378",NA,"PDBC43371","716290","Present"
-"N-[4-[3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide","","","","","","","","","","","","","","","","","","","","N-[4-[3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)OC)OC","YNWHICWLXCJMSU-UHFFFAOYSA-N","24204423",NA,"PDBC43372","731807","Present"
-"N-[4-[3-(4-Methoxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[3-(4-Methoxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=C(C=C4)OC)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C","HEUQOYKOPJDDCA-UHFFFAOYSA-N","402376",NA,"PDBC43373","716288","Present"
-"N-[4-[3-(Furan-2-yl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[3-(Furan-2-yl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CO4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C","KITQOAPFDISHBJ-UHFFFAOYSA-N","402379",NA,"PDBC43374","716291","Present"
-"N-[4-[3-Chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[4-[3-Chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]phenyl]propanamide","","CCC(=O)NC1=CC=C(C=C1)N2C(C(C2=O)Cl)C3=CC=C(C=C3)SC","IMSWXABTJYOLJD-UHFFFAOYSA-N","402229",NA,"PDBC43375","716120","Present"
-"N-[4-[3-[2-[3-(Benzenesulfonyl)prop-1-ynyl]phenyl]prop-2-ynoxy]butyl]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[3-[2-[3-(Benzenesulfonyl)prop-1-ynyl]phenyl]prop-2-ynoxy]butyl]-1H-indole-2-carboxamide","","C1=CC=C(C=C1)S(=O)(=O)CC#CC2=CC=CC=C2C#CCOCCCCNC(=O)C3=CC4=CC=CC=C4N3","JDEHUGJBNGDFDF-UHFFFAOYSA-N","24205308",NA,"PDBC43376","734996","Present"
-"N-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-5-nitrofuran-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-5-nitrofuran-2-carboxamide","","COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-]","YFSRBYPZGUIXRO-UHFFFAOYSA-N","398713",NA,"PDBC43377","708857","Present"
-"N-[4-[4-(4-Nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[4-(4-Nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]","LDXXZAXLAYTZOS-UHFFFAOYSA-N","359745",NA,"PDBC43378","621192","Present"
-"N-[4-[4-(Acridin-9-ylamino)phenoxy]phenyl]acridin-9-amine","","","","","","","","","","","","","","","","","","","","N-[4-[4-(Acridin-9-ylamino)phenoxy]phenyl]acridin-9-amine","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)OC5=CC=C(C=C5)NC6=C7C=CC=CC7=NC8=CC=CC=C86","OGIFSVRLZMZUQH-UHFFFAOYSA-N","356733",NA,"PDBC43379","613662","Present"
-"N-[4-[4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","KZBCBNFTTMGPGI-UHFFFAOYSA-N","396383",NA,"PDBC43380","702336","Present"
-"N-[4-[4-[(4Z)-4-Benzylidene-5-oxo-2-phenylimidazol-1-yl]phenyl]-1,3-thiazol-2-yl]-4-chloro-3-methoxybenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[4-[(4Z)-4-Benzylidene-5-oxo-2-phenylimidazol-1-yl]phenyl]-1,3-thiazol-2-yl]-4-chloro-3-methoxybenzenesulfonamide","","COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(=NC(=CC5=CC=CC=C5)C4=O)C6=CC=CC=C6)Cl","SFBIAYFRYJKGOP-IMRQLAEWSA-N","5472212",NA,"PDBC43381","716946","Present"
-"N-[4-[5-(2-Hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[5-(2-Hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(C3)C4=CC=CC=C4O","RMAHUHMWPKNUTI-UHFFFAOYSA-N","402359",NA,"PDBC43382","716271","Present"
-"N-[4-[5-(2-Hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[5-(2-Hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CC=C4O","JIXJWDBBFBNYDM-UHFFFAOYSA-N","402363",NA,"PDBC43383","716275","Present"
-"N-[4-[5-(3-Ethoxy-4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[5-(3-Ethoxy-4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CCOC1=C(C=CC(=C1)C2CC(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C)O","AYTYZPXNHKCAOG-UHFFFAOYSA-N","402365",NA,"PDBC43384","716277","Present"
-"N-[4-[5-(Furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[4-[5-(Furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide","","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(C3)C4=CC=CO4","XMKNEKNCBQOPCV-UHFFFAOYSA-N","402361",NA,"PDBC43385","716273","Present"
-"N-[4-[Acetyl(nitroso)amino]phenyl]-N-nitrosoacetamide","","","","","","","","","","","","","","","","","","","","n,n'-Benzene-1,4-diylbis(n-nitrosoacetamide)","","CC(=O)N(C1=CC=C(C=C1)N(C(=O)C)N=O)N=O","QXDUVTBORLYBPL-UHFFFAOYSA-N","266725",NA,"PDBC43386","105473","Present"
-"N-[4-[Bis(2-chloroethyl)aminomethyl]phenyl]-7-chloroquinolin-4-amine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[4-[Bis(2-chloroethyl)aminomethyl]phenyl]-7-chloroquinolin-4-amine;hydrochloride","","C1=CC(=CC=C1CN(CCCl)CCCl)NC2=C3C=CC(=CC3=NC=C2)Cl.Cl","HTPWPDVJAYULHO-UHFFFAOYSA-N","24187837",NA,"PDBC43387","69354","Present"
-"N-[4-[Methylsulfonyl(prop-2-enyl)amino]-5-nitro-2-phenylmethoxyphenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[Methylsulfonyl(prop-2-enyl)amino]-5-nitro-2-phenylmethoxyphenyl]acetamide","","CC(=O)NC1=CC(=C(C=C1OCC2=CC=CC=C2)N(CC=C)S(=O)(=O)C)[N+](=O)[O-]","BRGYKWUJYPNEIU-UHFFFAOYSA-N","396975",NA,"PDBC43388","704212","Present"
-"N-[4-[[(2,4-Dichlorophenyl)sulfonylamino]carbamoyl]-3-ethoxyphenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[[(2,4-Dichlorophenyl)sulfonylamino]carbamoyl]-3-ethoxyphenyl]acetamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NNS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl","HKERNQMRUINGBB-UHFFFAOYSA-N","402302",NA,"PDBC43389","716193","Present"
-"N-[4-[[(3-Methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]methyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[[(3-Methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]methyl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)CNC2=CC(=O)N(C(=O)N2)C","WKDKPBPINCXUEY-UHFFFAOYSA-N","385868",NA,"PDBC43390","677267","Present"
-"N-[4-[[(4-Acetamido-2-ethoxybenzoyl)amino]sulfamoyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[[(4-Acetamido-2-ethoxybenzoyl)amino]sulfamoyl]phenyl]acetamide","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C","YHNCGIWTIXFFKZ-UHFFFAOYSA-N","402299",NA,"PDBC43391","716190","Present"
-"N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-2-carboxamide, N-[2-[[[4-[[5,5a,6,8,8a,9-hexa...","","CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)NC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)NC(=O)C8=CC(=CN8C)[N+](=O)[O-]","DLZMTAUCCZKICH-RAROJLCTSA-N","5469122",NA,"PDBC43392","683416","Present"
-"N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)NC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)[N+](=O)[O-]","JKDAETVNFABJQD-GEYQZXRLSA-N","5469120",NA,"PDBC43393","683414","Present"
-"N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide;hydrochloride","","CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)NC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)[N+](=O)[O-].Cl","WEDSSFYVXYLQLK-DVMCIEKCSA-N","5469121",NA,"PDBC43394","683415","Present"
-"N-[4-[[(E)-(3-Bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]sulfamoyl]-2,5-dimethoxyphenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[[(E)-(3-Bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]sulfamoyl]-2,5-dimethoxyphenyl]acetamide","","CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)NN=CC2=CC(=C(C(=C2)Br)O)OC)OC","JTGLLZLWWMLONF-AWQFTUOYSA-N","135436253",NA,"PDBC43395","716179","Present"
-"N-[4-[[2-(4-Chloroanilino)-2-oxoethyl]amino]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[4-[[2-(4-Chloroanilino)-2-oxoethyl]amino]phenyl]propanamide","","CCC(=O)NC1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)Cl","FAWHVKAACAZATO-UHFFFAOYSA-N","402219",NA,"PDBC43396","716110","Present"
-"N-[4-[[2-(4-Methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[4-[[2-(4-Methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide","","CCC(=O)NC1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)OC","MQTOYJSUEYMYMS-UHFFFAOYSA-N","402220",NA,"PDBC43397","716111","Present"
-"N-[4-[[4-[5-(4-Bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-(4-chlorophenyl)pyrimidin-2-yl]sulfamoyl]phenyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[4-[[4-[5-(4-Bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-(4-chlorophenyl)pyrimidin-2-yl]sulfamoyl]phenyl]acetamide","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5)C6=CC=C(C=C6)Cl","LECXGIZIWYJDJT-UHFFFAOYSA-N","403759",NA,"PDBC43398","719178","Present"
-"N-[4-[[Cyano-(3-phenoxyphenyl)methyl]amino]phenyl]propanamide","","","","","","","","","","","","","","","","","","","","N-[4-[[Cyano-(3-phenoxyphenyl)methyl]amino]phenyl]propanamide","","CCC(=O)NC1=CC=C(C=C1)NC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3","BIMFOHNJASKBNW-UHFFFAOYSA-N","402218",NA,"PDBC43399","716109","Present"
-"N-[5,6-Bis[[4-[(3-iodophenyl)methyl]piperazin-1-yl]methyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]octanamide","","","","","","","","","","","","","","","","","","","","N-(5,6-bis((4-(3-iodobenzyl)piperazin-1-yl)methyl)-4-oxo...","","CCCCCCCC(=O)NC1=NC2=C(C(=C(N2)CN3CCN(CC3)CC4=CC(=CC=C4)I)CN5CCN(CC5)CC6=CC(=CC=C6)I)C(=O)N1","UVMQSBRISLPFBC-UHFFFAOYSA-N","155805404",NA,"PDBC43400","795215","Present"
-"N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[morpholino(thiocarbonyl)]thio]-2-phenylacetamide","","","","","","","","","","","","","","","","","","","","[2-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] morpholine-4-carbodithioate","","C1COCCN1C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Cl","QEAPVEWSPLFSKX-UHFFFAOYSA-N","399290",NA,"PDBC43401","709979","Present"
-"N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[morpholino(thiocarbonyl)]thio]propanamide","","","","","","","","","","","","","","","","","","","","[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] morpholine-4-carbodithioate","","CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N3CCOCC3","LOPMRWGKYIFGGP-UHFFFAOYSA-N","399293",NA,"PDBC43402","709982","Present"
-"N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[piperidino(thiocarbonyl)]thio]propanamide","","","","","","","","","","","","","","","","","","","","[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] piperidine-1-carbodithioate","","CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N3CCCCC3","PBEKGYULFSLLNO-UHFFFAOYSA-N","399294",NA,"PDBC43403","709983","Present"
-"N-[5-(4-Chlorophenyl)-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-[5-(4-chlorophenyl)-3-phenyl-2-thioxo-2,3-dihydro[1,3]...","","C1=CC=C(C=C1)N2C3=NC(=NC(=C3SC2=S)NC(=O)C(F)(F)F)C4=CC=C(C=C4)Cl","SUXMEWZMZNVCOC-UHFFFAOYSA-N","155810449",NA,"PDBC43404","789684","Present"
-"N-[5-(Benzylamino)-2-phenylmethoxyphenyl]-3-(1,3-dioxolan-2-yl)propanamide","","","","","","","","","","","","","","","","","","","","N-[5-(Benzylamino)-2-phenylmethoxyphenyl]-3-(1,3-dioxolan-2-yl)propanamide","","C1COC(O1)CCC(=O)NC2=C(C=CC(=C2)NCC3=CC=CC=C3)OCC4=CC=CC=C4","PLGVJBLMLVMTPF-UHFFFAOYSA-N","272166",NA,"PDBC43405","116415","Present"
-"N-[5-(Benzylamino)-2-phenylmethoxyphenyl]-N-methylacetamide","","","","","","","","","","","","","","","","","","","","N-[5-(Benzylamino)-2-phenylmethoxyphenyl]-N-methylacetamide","","CC(=O)N(C)C1=C(C=CC(=C1)NCC2=CC=CC=C2)OCC3=CC=CC=C3","QEEUDQXHVMKMTO-UHFFFAOYSA-N","272164",NA,"PDBC43406","116413","Present"
-"N-[5-(Diethylamino)pentan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide","","","","","","","","","","","","","","","","","","","","N-[5-(Diethylamino)pentan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide","","CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC=CN3C","YFLQOQBVEIBODJ-UHFFFAOYSA-N","387306",NA,"PDBC43407","680999","Present"
-"N-[5-Amino-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[5-Amino-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=NC(=CC(=C3)C(F)(F)F)C","PKUWAADOJBXUKE-UHFFFAOYSA-N","384319",NA,"PDBC43408","674003","Present"
-"N-[5-Chloro-2-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]adamantane-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[5-Chloro-2-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]adamantane-1-carboxamide","","C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NNC(=O)C5=CC=C(C=C5)Cl","XVBRZWGEDPNWFW-UHFFFAOYSA-N","403463",NA,"PDBC43409","718360","Present"
-"N-[5-Methyl-7-[4-[6-[4-[4-methyl-7-(pentanoylamino)-1,8-naphthyridin-2-yl]phenyl]-4-(4-methylphenyl)pyridin-2-yl]phenyl]-1,8-naphthyridin-2-yl]pentanamide","","","","","","","","","","","","","","","","","","","","N-[5-Methyl-7-[4-[6-[4-[4-methyl-7-(pentanoylamino)-1,8-naphthyridin-2-yl]phenyl]-4-(4-methylphenyl)pyridin-2-yl]phenyl]-1,8-naphthyridin-2-yl]pentanamide","","CCCCC(=O)NC1=NC2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)C4=CC(=CC(=N4)C5=CC=C(C=C5)C6=NC7=C(C=CC(=N7)NC(=O)CCCC)C(=C6)C)C8=CC=C(C=C8)C)C","UKZKEQIJPUMTSF-UHFFFAOYSA-N","395741",NA,"PDBC43410","700541","Present"
-"N-[5-[(2,5-Dioxoimidazolidin-4-yl)carbamoylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[5-[(2,5-Dioxoimidazolidin-4-yl)carbamoylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide","","CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC(=O)NC2C(=O)NC(=O)N2","RANVZQMBNCSASQ-UHFFFAOYSA-N","398808",NA,"PDBC43411","708947","Present"
-"N-[5-[(4-Chlorophenyl)carbamothioylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[5-[(4-Chlorophenyl)carbamothioylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide","","CC(=O)NC1=NN=C(S1)S(=O)(=O)NC(=S)NC2=CC=C(C=C2)Cl","VLLVEEDNMWSBLP-UHFFFAOYSA-N","5471132",NA,"PDBC43412","708948","Present"
-"N-[5-[(E)-3-[6-Amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide","","","","","","","","","","","","","","","","","","","","Butanamide, N-[5-[3-[7-amino-3-(chloromethyl)-2,3-dihydr...","","CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C2C=C(C=C3)N)CCl)C","ZEHUETDVFMNOCM-SOFGYWHQSA-N","5933245",NA,"PDBC43413","691655","Present"
-"N-[5-[(E)-3-[8-(Chloromethyl)-1-methyl-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide","","","","","","","","","","","","","","","","","","","","N-[5-[(E)-3-[8-(Chloromethyl)-1-methyl-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide","","CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C4C(=CNC4=C(C=C32)OCC5=CC=CC=C5)C)CCl)C","XVTRMGSERVBUFQ-VAWYXSNFSA-N","5469857",NA,"PDBC43414","693563","Present"
-"N-[5-[(E)-3-[8-(Chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide","","","","","","","","","","","","","","","","","","","","N-[5-[(E)-3-[8-(Chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide","","CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C4C(=CNC4=C(C=C32)O)C)CCl)C","PXXCJJGMHOTWOR-VOTSOKGWSA-N","6181210",NA,"PDBC43415","693564","Present"
-"N-[5-[(Z)-3-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-1-methylpyrazol-3-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[5-[(Z)-3-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-1-methylpyrazol-3-yl]acetamide","","CC(=O)NC1=NN(C(=C1)C=CC(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl)C","CWQIJVNYJRUBQW-FPLPWBNLSA-N","5470439",NA,"PDBC43416","701747","Present"
-"N-[5-[2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide","","","","","","","","","","","","","","","","","","","","N-[5-[2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NN=C(O5)NC(=O)C6=CC=C(C=C6)Cl","XRPABIKIBSKAGP-UHFFFAOYSA-N","135426753",NA,"PDBC43417","716137","Present"
-"N-[5-[2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[5-[2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]benzamide","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NN=C(O5)NC(=O)C6=CC=CC=C6","WAWAAGJZDPASRQ-UHFFFAOYSA-N","135426752",NA,"PDBC43418","716135","Present"
-"N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide","","CN1C(=CC(=N1)NC(=O)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C(=O)NC5=NN(C(=C5)C(=O)NCCCN(C)C)C","HYKJXARONSRIMT-UHFFFAOYSA-N","405408",NA,"PDBC43419","722650","Present"
-"N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxamide","","","","","","","","","","","","","","","","","","","","N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxamide","","CC1=C(SC(=N1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)NC5=CN(C(=C5)C(=O)NCCCN(C)C)C","RENQCZHBFFWCDX-UHFFFAOYSA-N","45027933",NA,"PDBC43420","740202","Present"
-"N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCC3=CNC4=CC=CC=C43","CCOFWWHPPVOAPW-UHFFFAOYSA-N","405333",NA,"PDBC43421","722556","Present"
-"N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[3-[(9,10-dioxoanthracen-2-yl)sulfonylamino]propanoylamino]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[3-[(9,10-dioxoanthracen-2-yl)sulfonylamino]propanoylamino]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O","NNRTVTLMTRVYJR-UHFFFAOYSA-N","16736082",NA,"PDBC43422","732045","Present"
-"N-[5-[[4,5-Dideuterio-6-[1-(trideuteriomethyl)indol-3-yl]-1H-pyrimidin-2-ylidene]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5...","","CN1C=C(C2=CC=CC=C21)C3=CC=NC(=NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC)N3","DUYJMQONPNNFPI-YQNNQXDBSA-N","155811998",NA,"PDBC43423","795440","Present"
-"N-[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-","","CN1C(=CC(=N1)NC(=O)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C(=O)NC5=NN(C(=C5)C(=O)NC6=NN(C(=C6)C(=O)NCCCN(C)C)C)C","NZWFISHYJFCBOO-UHFFFAOYSA-N","405409",NA,"PDBC43424","722651","Present"
-"N-[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCC4=CNC5=CC=CC=C54","JFBDRRFDFLUQOW-UHFFFAOYSA-N","406618",NA,"PDBC43425","724858","Present"
-"N-[5-[[5-[[3-[[5-[[5-[[5-[[2-[3-(Dimethylamino)propylamino]-2-oxoethyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","N-[5-[[5-[[3-[[5-[[5-[[5-[[2-[3-(Dimethylamino)propylamino]-2-oxoethyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-oxopropyl]carbamoyl]-1-meth","","CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NCC(=O)NCCCN(C)C)C)C)C)C)C.C(=O)(C(F)(F)F)O","MCBLQZPIDQATDP-UHFFFAOYSA-N","389084",NA,"PDBC43426","684746","Present"
-"N-[5-[[5-[[4-[[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","N-[5-[[5-[[4-[[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-meth","","CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCC(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NCCC(=O)NCCCN(C)C)C)C)C)C)C.C(=O)(C(F)(F)F)O","UTNXEVYNWSPFET-UHFFFAOYSA-N","389086",NA,"PDBC43427","684748","Present"
-"N-[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]butanoylamino]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","N-[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-me","","CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCCC(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CN(C(=C7)C(=O)NC8=CN(C(=C8)C(=O)NCCC(=O)NCCCN(C)C)C)C)C)C)C)C)C.C(=O)(C(F)(F)F)O","ZLRXZVIBQDXBMU-UHFFFAOYSA-N","16129919",NA,"PDBC43428","684747","Present"
-"N-[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","N-[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluor","","CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=O)NCCCN(C)C)C)C)C.C(=O)(C(F)(F)F)O","HMYDNNNZWPJNBM-UHFFFAOYSA-N","389088",NA,"PDBC43429","684749","Present"
-"N-[6,7-Dibromo-20-(hydroxyamino)-2,11-dioxa-18,21-diazatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),4,6,8,12,14,16,18,20,22,24-undecaen-19-yl]hydroxylamine","","","","","","","","","","","","","","","","","","","","N-[6,7-Dibromo-20-(hydroxyamino)-2,11-dioxa-18,21-diazatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),4,6,8,12,14,16,18,20,22,24-undecaen-19-yl]hydroxylamine","","C1C2=CC(=C(C=C2COC3=CC=CC=C3N=C(C(=NC4=CC=CC=C4O1)NO)NO)Br)Br","HEKCLUAZHSBFCB-UHFFFAOYSA-N","135406861",NA,"PDBC43430","683326","Present"
-"N-[6-(Naphthalen-1-ylcarbamoylamino)hexyl]naphthalene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[6-(Naphthalen-1-ylcarbamoylamino)hexyl]naphthalene-1-carboxamide","","C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43","DLJIPJRYRJVLNH-UHFFFAOYSA-N","387930",NA,"PDBC43431","682235","Present"
-"N-[6-(Naphthalene-1-carbonylamino)hexyl]naphthalene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N,N'-(1,6-Hexanediyl)bis(1-naphthamide)","","C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCNC(=O)C3=CC=CC4=CC=CC=C43","CXUPFLUEODCCSZ-UHFFFAOYSA-N","364096",NA,"PDBC43432","629737","Present"
-"N-[6-({[3,5-Bis(trifluoromethyl)phenyl]sulfonyl}amino)-2-oxo-2H-chromen-3-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[6-(3,5-Bis-trifluoromethyl-benzenesulfonylamino)-2-oxo-2H-chromen-3-yl]-acetamide","","CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC1=O","UHCCOXMYSYMFIY-UHFFFAOYSA-N","338566",NA,"PDBC43433","361668","Present"
-"N-[6-Amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-2-[2-[5-[[2-[[3-hydroxy-2-[[3-(1H-imidazol-4-yl)-2-[[3-(1H-indol-3-yl)-2-[2-[2-(3-sulfanylpropanoylamino)propanoylamino]propanoylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoylamino]propanoylamino]pentanediamide","","","","","","","","","","","","","","","","","","","","N-[6-Amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-2-[2-[5-[[2-[[3-hydroxy-2-[[3-(1H-imidazol-4-yl)-2-[[3-(1H-","","CC(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC=N3)C(=O)NC(CO)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NCCCCC(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N)NC(=O)CCS","SXVBLCQJSSGGFJ-UHFFFAOYSA-N","16129813",NA,"PDBC43434","676934","Present"
-"N-[6-[(2-Aminoethyl)amino]hexyl]-4-acridinecarboxamide trihydrochloride","","","","","","","","","","","","","","","","","","","","N-[6-[(2-Aminoethyl)amino]hexyl]-4-acridinecarboxamide t...","","C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCCCCCNCCN.Cl","XOYGXYLTMYJYIJ-UHFFFAOYSA-N","386515",NA,"PDBC43435","678915","Present"
-"N-[6-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]hexyl]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[6-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]hexyl]-1H-indole-2-carboxamide","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCNC(=O)C4=CC5=CC=CC=C5N4","UWGVFEIQEGDMFX-UHFFFAOYSA-N","20826872",NA,"PDBC43436","726367","Present"
-"N-[6-[3-(Diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide","","","","","","","","","","","","","","","","","","","","N-(6-(3-((N,N-diethylsulfamoyl)amino)phenyl)-1H-indazol-...","","CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)C4CC4","JPWTZNZIWQIJSJ-UHFFFAOYSA-N","155807685",NA,"PDBC43437","800717","Present"
-"N-[6-[Benzoyl-[cyano(phenyl)methyl]amino]hexyl]-N-[cyano(phenyl)methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[6-[Benzoyl-[cyano(phenyl)methyl]amino]hexyl]-N-[cyano(phenyl)methyl]benzamide","","C1=CC=C(C=C1)C(C#N)N(CCCCCCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","LXCTYVCGDCDFMI-UHFFFAOYSA-N","387715",NA,"PDBC43438","681744","Present"
-"N-[7-(2,5-Dioxopyrrol-1-yl)-9H-fluoren-2-yl]-2,2,2-trifluoroacetamide","","","","","","","","","","","","","","","","","","","","N-[7-(2,5-Dioxopyrrol-1-yl)-9H-fluoren-2-yl]-2,2,2-trifluoroacetamide","","C1C2=C(C=CC(=C2)NC(=O)C(F)(F)F)C3=C1C=C(C=C3)N4C(=O)C=CC4=O","SELHQQIYNGYUCH-UHFFFAOYSA-N","348883",NA,"PDBC43439","408383","Present"
-"N-[7-(2-Aminoethyl)-6-oxo-3H-purin-2-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-(7-(2-Aminoethyl)-6-hydroxy-7H-purin-2-yl)benzamide","","C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCN","KUWJGUZLWKIVAY-UHFFFAOYSA-N","135503479",NA,"PDBC43440","639791","Present"
-"N-[7-Chloro-2-(trichloromethyl)quinazolin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[7-Chloro-2-(trichloromethyl)quinazolin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride","","CC(C)N(CCNC1=NC(=NC2=C1C=CC(=C2)Cl)C(Cl)(Cl)Cl)C(C)C.Cl","WRBMXVZYAFTWPB-UHFFFAOYSA-N","24193414",NA,"PDBC43441","152089","Present"
-"N-[8-(Quinoxaline-2-carbonylamino)octyl]quinoxaline-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[8-(Quinoxaline-2-carbonylamino)octyl]quinoxaline-2-carboxamide","","C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCCCCCCCCNC(=O)C3=NC4=CC=CC=C4N=C3","CXQFTXGHRGUMMS-UHFFFAOYSA-N","364904",NA,"PDBC43442","631732","Present"
-"N-[8-Benzamido-4-[(9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[8-Benzamido-5-[(9,10-dioxo-1-anthryl)amino]-9,10-dioxo-1-anthryl]benzamide","","C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)C(=O)C7=C(C3=O)C(=CC=C7)NC(=O)C8=CC=CC=C8","YIKPDAGMKPPHJO-UHFFFAOYSA-N","5356548",NA,"PDBC43443","60678","Present"
-"N-[8-Bromo-7-[(4-methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-yl]acetamide","","","","","","","","","","","","","","","","","","","","N-[8-bromo-7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl...","","CC(=O)NC1=NC2=C(S1)CCC3=C(N(C(=C32)Br)CC4=CC=C(C=C4)OC)C5=CC(=C(C(=C5)OC)OC)OC","CQZXBNHRKGWRTG-UHFFFAOYSA-N","155806805",NA,"PDBC43444","766962","Present"
-"N-[9,10-Dioxo-4-(prop-2-enoylamino)anthracen-1-yl]prop-2-enamide","","","","","","","","","","","","","","","","","","","","N-[9,10-Dioxo-4-(prop-2-enoylamino)anthracen-1-yl]prop-2-enamide","","C=CC(=O)NC1=C2C(=C(C=C1)NC(=O)C=C)C(=O)C3=CC=CC=C3C2=O","OILWKNBHXAQZGW-UHFFFAOYSA-N","384115",NA,"PDBC43445","673344","Present"
-"N-[9,10-Dioxo-6-(3-piperidin-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-2-ylpropanamide;iodomethane","","","","","","","","","","","","","","","","","","","","N-[9,10-Dioxo-6-(3-piperidin-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-2-ylpropanamide;iodomethane","","CI.C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCC5CCCCN5","WPLONUNETDEXSD-UHFFFAOYSA-N","374319",NA,"PDBC43446","651844","Present"
-"N-[9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide","","","","","","","","","","","","","","","","","","","","N-[9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide","","CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O","BJZZQJFYKQPUGO-UHFFFAOYSA-N","356578",NA,"PDBC43447","613001","Present"
-"N-[Amino-[(4-methylsulfinylphenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine","","","","","","","","","","","","","","","","","","","","N-[Amino-[(4-methylsulfinylphenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine","","CS(=O)C1=CC=C(C=C1)COP(=O)(N)N(CCCl)CCCl","YXGJUDKWFMTARJ-UHFFFAOYSA-N","368014",NA,"PDBC43448","638243","Present"
-"N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-chloroaniline","","","","","","","","","","","","","","","","","","","","N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-chloroaniline","","C1=CC=C(C=C1)OP(=O)(NC2=CC(=CC=C2)Cl)N(CCCl)CCCl","XPVYUVBDAQWVOI-UHFFFAOYSA-N","370334",NA,"PDBC43449","643193","Present"
-"N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-chloroaniline","","","","","","","","","","","","","","","","","","","","N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-chloroaniline","","C1=CC=C(C=C1)OP(=O)(NC2=CC=C(C=C2)Cl)N(CCCl)CCCl","CDPPRYBJBWLFLD-UHFFFAOYSA-N","370333",NA,"PDBC43450","643192","Present"
-"N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-methylaniline","","","","","","","","","","","","","","","","","","","","N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-methylaniline","","CC1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=CC=CC=C2","CZZICUIIFOMZFN-UHFFFAOYSA-N","370335",NA,"PDBC43451","643194","Present"
-"N-[Bis(2-methylhydrazino)methylene]-5-cyano-2-mercapto-4-(2-methylhydrazino)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","N-[Bis(2-methylhydrazino)methylene]-5-cyano-2-mercapto-4-(2-methylhydrazino)benzenesulfonamide","","CNNC1=CC(=C(C=C1C#N)S(=O)(=O)N=C(NNC)NNC)S","YUHHOIVGOZTQSR-UHFFFAOYSA-N","378505",NA,"PDBC43452","661105","Present"
-"N-[Bis(4-fluorophenyl)methyl]-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride","","","","","","","","","","","","","","","","","","","","N-[Bis(4-fluorophenyl)methyl]-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride","","CN1C2CCC1CC(C2)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl","BLOTUBLIWKABJF-UHFFFAOYSA-N","401891",NA,"PDBC43453","715581","Present"
-"N-[Bis(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]acetamide","","","","","","","","","","","","","","","","","","","","N-[Bis(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]acetamide","","CC1=CC2=C(C=C1C)N=C(N2)C(C3=NC4=C(N3)C=C(C(=C4)C)C)NC(=O)C","PBKSRLRVYSIOHO-UHFFFAOYSA-N","260983",NA,"PDBC43454","92835","Present"
-"N-[Bis(aziridin-1-yl)phosphoryl]pyridin-2-amine","","","","","","","","","","","","","","","","","","","","phosphinic amide, p,p-bis(1-aziridinyl)-n-2-pyridyl- (8ci)","","C1CN1P(=O)(NC2=CC=CC=N2)N3CC3","VNKQXJJJVFNSIV-UHFFFAOYSA-N","265076",NA,"PDBC43455","100868","Present"
-"N-[Bis(dimethoxyphosphoryl)methyl]formamide","","","","","","","","","","","","","","","","","","","","N-[Bis(dimethoxyphosphoryl)methyl]formamide","","COP(=O)(C(NC=O)P(=O)(OC)OC)OC","SNRSCDLUCQHRNF-UHFFFAOYSA-N","382149",NA,"PDBC43456","669594","Present"
-"N-[Bis[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[Bis[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide","","CN(C)C1=CC=C(C=C1)C(=NNC(=O)C2=CC3=CC=CC=C3N2)C4=CC=C(C=C4)N(C)C","FVRMHXWKKOQTBZ-UHFFFAOYSA-N","399297",NA,"PDBC43457","709986","Present"
-"N-[Cyano(phenyl)methyl]-N-[2-[2-[2-[[cyano(phenyl)methyl]-(naphthalene-1-carbonyl)amino]ethoxy]ethoxy]ethyl]naphthalene-1-carboxamide","","","","","","","","","","","","","","","","","","","","N-[Cyano(phenyl)methyl]-N-[2-[2-[2-[[cyano(phenyl)methyl]-(naphthalene-1-carbonyl)amino]ethoxy]ethoxy]ethyl]naphthalene-1-carboxamide","","C1=CC=C(C=C1)C(C#N)N(CCOCCOCCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CC6=CC=CC=C65","NMCVCQNBALQCFY-UHFFFAOYSA-N","387717",NA,"PDBC43458","681746","Present"
-"N-[Diethoxyphosphoryl(phenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide","","","","","","","","","","","","","","","","","","","","N-[Diethoxyphosphoryl(phenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide","","CCOP(=O)(C(C1=CC=CC=C1)NC(=O)C(C(F)(F)F)C(F)(F)F)OCC","YULVLLMJUKAERH-UHFFFAOYSA-N","382503",NA,"PDBC43459","670109","Present"
-"N-[Diethoxyphosphoryl(phenyl)methyl]-3-nitroaniline","","","","","","","","","","","","","","","","","","","","N-[Diethoxyphosphoryl(phenyl)methyl]-3-nitroaniline","","CCOP(=O)(C(C1=CC=CC=C1)NC2=CC(=CC=C2)[N+](=O)[O-])OCC","PPUIQPHUSHPJKF-UHFFFAOYSA-N","385493",NA,"PDBC43460","676742","Present"
-"N-[Diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-fluoro-aniline","","","","","","","","","","","","","","","","","","","","N-[Diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-fluoro-aniline","","CCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)F)OCC","RZTGUESPNWQMKU-UHFFFAOYSA-N","385495",NA,"PDBC43461","676744","Present"
-"N-[Diethoxyphosphoryl-[4-(1-hydroxybutyl)triazol-1-yl]methyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[Diethoxyphosphoryl-[4-(1-hydroxybutyl)triazol-1-yl]methyl]benzamide","","CCCC(C1=CN(N=N1)C(NC(=O)C2=CC=CC=C2)P(=O)(OCC)OCC)O","FVYCPABUPWTYEN-UHFFFAOYSA-N","385633",NA,"PDBC43462","676979","Present"
-"N-[Diphenylphosphanyl-(4-nitrophenyl)methyl]aniline","","","","","","","","","","","","","","","","","","","","N-[Diphenylphosphanyl-(4-nitrophenyl)methyl]aniline","","C1=CC=C(C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])P(C3=CC=CC=C3)C4=CC=CC=C4","CILRABUVKRASLQ-UHFFFAOYSA-N","392524",NA,"PDBC43463","693040","Present"
-"N-[Furan-2-carbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[Furan-2-carbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide","","C1=CC(=CN=C1)CN(C(=O)C2=CC=CO2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=CO4","GMOGAOHWCSSMDD-UHFFFAOYSA-N","401377",NA,"PDBC43464","714689","Present"
-"N-[N-(4-Chlorophenyl)sulfonyl-S-(trichloromethyl)sulfinimidoyl]butanamide","","","","","","","","","","","","","","","","","","","","N-[N-(4-Chlorophenyl)sulfonyl-S-(trichloromethyl)sulfinimidoyl]butanamide","","CCCC(=O)NS(=NS(=O)(=O)C1=CC=C(C=C1)Cl)C(Cl)(Cl)Cl","JPMNPILHPSZMQU-UHFFFAOYSA-N","6101992",NA,"PDBC43465","657925","Present"
-"N-[N-Benzoyl-S-(trichloromethyl)sulfinimidoyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[N-Benzoyl-S-(trichloromethyl)sulfinimidoyl]benzamide","","C1=CC=C(C=C1)C(=O)NS(=NC(=O)C2=CC=CC=C2)C(Cl)(Cl)Cl","PRXZNQAZBSDMHG-UHFFFAOYSA-N","376807",NA,"PDBC43466","657924","Present"
-"N-[N-[(4-Methylphenylsulfonyl)carbamoyl]glycyl]glycine","","","","","","","","","","","","","","","","","","","","2-[[2-(p-Tolylsulfonylcarbamoylamino)acetyl]amino]acetic acid","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC(=O)NCC(=O)O","HJIMURZMWUDSJM-UHFFFAOYSA-N","395830",NA,"PDBC43467","700722","Present"
-"N-[Naphthalene-2-carbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[Naphthalene-2-carbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide","","C1=CC=C2C=C(C=CC2=C1)C(=O)N(CC3=CN=CC=C3)C(=S)N(CC4=CN=CC=C4)C(=O)C5=CC6=CC=CC=C6C=C5","FKQDZWXWIFDFOD-UHFFFAOYSA-N","401376",NA,"PDBC43468","714688","Present"
-"N-[Phenoxy-(4-phenylpiperazin-1-yl)phosphoryl]aniline","","","","","","","","","","","","","","","","","","","","N-[Phenoxy-(4-phenylpiperazin-1-yl)phosphoryl]aniline","","C1CN(CCN1C2=CC=CC=C2)P(=O)(NC3=CC=CC=C3)OC4=CC=CC=C4","GJNCOCUVBWFFTR-UHFFFAOYSA-N","382333",NA,"PDBC43469","669802","Present"
-"N-[Tert-butyl(diphenyl)silyl]-3-methylbut-3-en-1-amine","","","","","","","","","","","","","","","","","","","","N-[Tert-butyl(diphenyl)silyl]-3-methylbut-3-en-1-amine","","CC(=C)CCN[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C","LPYDSTRNMMVAGH-UHFFFAOYSA-N","357662",NA,"PDBC43470","617179","Present"
-"N-[Tert-butyl(diphenyl)silyl]aniline","","","","","","","","","","","","","","","","","","","","N-[Tert-butyl(diphenyl)silyl]aniline","","CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)NC3=CC=CC=C3","AIKSMMLNGGYBNN-UHFFFAOYSA-N","357661",NA,"PDBC43471","617178","Present"
-"N-[[(1R,2S,10R,12R,13S)-12-Cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoline-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[[(1R,2S,10R,12R,13S)-12-Cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoline-2-c","","CC1=C(C2=C(C(N3C(C2)C4C5=C(CC(C3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)C6=NC7=CC=CC=C7C=C6)C(=C1OC)O)OC","MJTJFOMHOQENRK-RIOXTBHYSA-N","405320",NA,"PDBC43472","722517","Present"
-"N-[[(1R,2S,10R,12R,13S)-12-Cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoxaline-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-[[(1R,2S,10R,12R,13S)-12-Cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoxaline-2","","CC1=C(C2=C(C(N3C(C2)C4C5=C(CC(C3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)C6=NC7=CC=CC=C7N=C6)C(=C1OC)O)OC","HCPZOHBMACPTFR-DJNSEWAMSA-N","405321",NA,"PDBC43473","722518","Present"
-"N-[[(1S,2S,4R,7E,11S)-4-Methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide","","","","","","","","","","","","","","","","","","","","2-(4-isobutylphenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl...","","CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCC2=CCCC3(C(O3)C4C(CC2)C(=C)C(=O)O4)C","MHWDIEYCBPYGLO-WGXNNALFSA-N","155810677",NA,"PDBC43474","797586","Present"
-"N-[[(3As,5R,6aS)-6a-methoxy-2-oxo-3,3a,5,6-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]methyl]-1H-pyrrole-2-carboxamide","","","","","","","","","","","","","","","","","","","","(9R,11S,15S)-1H-Pyrrole-2-carboxylic acid (6a-methoxy-2-...","","COC12CC(OC1NC(=O)N2)CNC(=O)C3=CC=CN3","IZKNAUHOOGPZGV-VHRDEZTHSA-N","405755",NA,"PDBC43475","723331","Present"
-"N-[[1-[[(1S,2S,4R,7E,11S)-4-Methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-((1-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-ox...","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CNC(=O)C5=CC6=CC=CC=C6N5","DOWKNGNQCMTJEP-PLXOQMDXSA-N","155812377",NA,"PDBC43476","800508","Present"
-"N-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]formamide","","","","","","","","","","","","","","","","","","","","N-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]formamide","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC=O","JQSGMHOAVWZCKE-UHFFFAOYSA-N","402031",NA,"PDBC43477","715726","Present"
-"N-[[3-(Diethylaminomethyl)-2-methyl-1,3-dihydroisoindol-1-yl]methyl]aniline","","","","","","","","","","","","","","","","","","","","N-[[3-(Diethylaminomethyl)-2-methyl-1,3-dihydroisoindol-1-yl]methyl]aniline","","CCN(CC)CC1C2=CC=CC=C2C(N1C)CNC3=CC=CC=C3","BFTKLTXWDUKHIE-UHFFFAOYSA-N","360767",NA,"PDBC43478","623107","Present"
-"N-[[3-Cyano-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]carbamothioyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[[3-Cyano-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]carbamothioyl]benzamide","","COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCC3)NC(=S)NC(=O)C4=CC=CC=C4)C#N)OC","SIGKLNVIHCJFFP-UHFFFAOYSA-N","3004992",NA,"PDBC43479","667073","Present"
-"N-[[3-[[Acetyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)acetamide","","","","","","","","","","","","","","","","","","","","N-[[3-[[Acetyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)acetamide","","CCC(C#N)N(CC1=CC(=CC=C1)CN(C(CC)C#N)C(=O)C)C(=O)C","UOONXSFQZJSYHA-UHFFFAOYSA-N","387719",NA,"PDBC43480","681748","Present"
-"N-[[4,6-Bis(trifluoromethyl)-5H-pyrimidin-2-ylidene]amino]-5,6-diphenyl-1,2,4-triazin-3-amine","","","","","","","","","","","","","","","","","","","","3-{2-[4,6-Bis(trifluoromethyl)pyrimidin-2(5h)-ylidene]hydrazinyl}-5,6-diphenyl-1,2,4-triazine","","C1C(=NC(=NNC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)N=C1C(F)(F)F)C(F)(F)F","UCEULQJGJGKBPQ-UHFFFAOYSA-N","360651",NA,"PDBC43481","622958","Present"
-"N-[[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl]-3-chloroaniline","","","","","","","","","","","","","","","","","","","","N-[[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl]-3-chloroaniline","","C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=NNC4=CC(=CC=C4)Cl","HBYYXZVMFQWKQB-UHFFFAOYSA-N","402455",NA,"PDBC43482","716426","Present"
-"N-[[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide","","CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC(=O)C5=CC=CC=C5","SJRXKSWWHYZWHC-UHFFFAOYSA-N","24203723",NA,"PDBC43483","729202","Present"
-"N-[[4-(3-Thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide","","","","","","","","","","","","","","","","","","","","N-[[4-(3-Thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide","","C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC(=O)C5=CC=CC=C5)C6=CC=CS6","FDWBXUKGRJIEII-UHFFFAOYSA-N","24204642",NA,"PDBC43484","732394","Present"
-"N-[[4-(5-Chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-nitrobenzamide","","","","","","","","","","","","","","","","","","","","Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- methy...","","CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=NC=C(C=N3)Cl","SRCYRSNCOKJWQQ-UHFFFAOYSA-N","361501",NA,"PDBC43485","624545","Present"
-"N-[[4-(Diethylamino)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine","","","","","","","","","","","","","","","","","","","","N-[[4-(Diethylamino)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine","","CCN(CC)C1=CC=C(C=C1)CNC2=C3C=C(C=CC3=NC(=C2)C)OC","DSLRVLCJIZGDPH-UHFFFAOYSA-N","224872",NA,"PDBC43486","13720","Present"
-"N-[[4-(Dimethylamino)benzylidene]amino]quinoline-3-carboxamide","","","","","","","","","","","","","","","","","","","","N-[[4-(Dimethylamino)benzylidene]amino]quinoline-3-carboxamide","","CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC3=CC=CC=C3N=C2","GCGOWNLWEBLUMU-CIAFOILYSA-N","5771657",NA,"PDBC43487","201868","Present"
-"N-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide","","","","","","","","","","","","","","","","","","","","N-[(E)-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide","","CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O","WCRKUBGTWMEDDH-VULFUBBASA-N","5351196",NA,"PDBC43488","79688","Present"
-"N-[[4-[[Benzoyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)benzamide","","","","","","","","","","","","","","","","","","","","N-[[4-[[Benzoyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)benzamide","","CCC(C#N)N(CC1=CC=C(C=C1)CN(C(CC)C#N)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","TYYWABLLBGNNPH-UHFFFAOYSA-N","387718",NA,"PDBC43489","681747","Present"
-"N-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline","","","","","","","","","","","","","","","","","","","","N-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline","","C1=CC=C(C=C1)NCC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)F","XGHBFUDGNDUSIQ-UHFFFAOYSA-N","11198142",NA,"PDBC43490","726270","Present"
-"N-[[6-[5-(2,4-Dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline","","","","","","","","","","","","","","","","","","","","N-[[6-[5-(2,4-Dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline","","C1=CC=C(C=C1)NCC2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl","ZPGMAVAIDYPCFG-UHFFFAOYSA-N","402008",NA,"PDBC43491","715697","Present"
-"N-[p-[N-(2,7-Triamino-6-pteriddinylmethyl)-N-methylamino]benzoyl]glutamic acid","","","","","","","","","","","","","","","","","","","","N-[p-[N-(2,4,7-triamino-6-pteriddinylmethyl)-N-methylami...","","CN(CC1=C(N=C2C(=N1)C(=NC(=N2)N)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","JXBQVTXBIDNTBV-UHFFFAOYSA-N","387951",NA,"PDBC43492","682306","Present"
-"N-acetonyl-N'-(2,4-dinitroanilino)acetamidine","","","","","","","","","","","","","","","","","","","","N-acetonyl-N'-(2,4-dinitroanilino)acetamidine","","CC(=O)CN=C(C)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","YZVTYCCWJNFIFV-UHFFFAOYSA-N","3840075",NA,"PDBC43493","664550","Present"
-"N-beta-Alanyl-5-S-glutathionyl-D-DOPA","","","","","","","","","","","","","","","","","","","","N-.beta.-alanyl-5-S-glutathionyl-D-DOPA","","C1=C(C=C(C(=C1O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC(C(=O)O)NC(=O)CCN","YMBAJJVBBYVETD-LAGVYOHYSA-N","395373",NA,"PDBC43494","699854","Present"
-"N-beta-Alanyl-5-S-glutathionyl-L-DOPA","","","","","","","","","","","","","","","","","","","","N-.beta.-alanyl-5-S-glutathionyl-L-DOPA","","C1=C(C=C(C(=C1O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC(C(=O)O)NC(=O)CCN","YMBAJJVBBYVETD-VYAYZGMFSA-N","395372",NA,"PDBC43495","699853","Present"
-"N-diethyl[?]amine","","","","","","","","","","","","","","","","","","","","N-diethyl[?]amine","","CCN=C1NC2=CC=CC=C2N3C4=C5C=CC=CC5=NN4N=C3N1CC","OUKNXUMCYXXGJK-UHFFFAOYSA-N","135409034",NA,"PDBC43496","655070","Present"
-"N-furfurylsalicylaldimine","","","","","","","","","","","","","","","","","","","","N-furfurylsalicylaldimine","","C1=CC=C(C(=C1)C=NCC2=CC=CO2)O","INBUCGHEKJIOHS-UHFFFAOYSA-N","362907",NA,"PDBC43497","627382","Present"
-"N-p-menth-1-en-8-ylacetamide","","","","","","","","","","","","","","","","","","","","N-p-menth-1-en-8-ylacetamide","","CC1=CCC(CC1)C(C)(C)NC(=O)C","VEJCRBUNIYKDTJ-UHFFFAOYSA-N","379926",NA,"PDBC43498","665118","Present"
-"N-{(1E)-[4,5-Bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methylene}aniline","","","","","","","","","","","","","","","","","","","","N-{(1E)-[4,5-Bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methylene}aniline","","C1OC2=C(O1)C=C(C=C2)C3=C(OC(=C3[N+](=O)[O-])C=NC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6","ORUOUIJHFYPWFD-UHFFFAOYSA-N","369731",NA,"PDBC43499","641826","Present"
-"N-{(1E)-[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methylene}aniline","","","","","","","","","","","","","","","","","","","","N-{(1E)-[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methylene}aniline","","COC1=C(C=C(C=C1)C2=C(OC(=C2[N+](=O)[O-])C=NC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)OC","HNAYZJPMQRYDPB-UHFFFAOYSA-N","369732",NA,"PDBC43500","641827","Present"
-"N-{(7S)-10-[2,2-Bis(phenylcarbonyl)hydrazinyl]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide x 0.4 (Sodium monothiocarbamate monohydrate) x 0.2 Acetone","","","","","","","","","","","","","","","","","","","","N-{(7S)-10-[2,2-Bis(phenylcarbonyl)hydrazinyl]-1,2,3-tri...","","CC(=O)C.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NN(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC)OC)OC.C(=O)(N)S.O.[Na+]","SUVVKDBCRXUXKR-RQDDLXGZSA-N","60147571",NA,"PDBC43501","751652","Present"
-"N-{(7S)-10-[[(E)-2-s-trans]-2-Carbamothioyldiazenyl]-5,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl}acetamide hemihydrate . 0.333 (acetic acid) . 0.333 (sodium acetate)","","","","","","","","","","","","","","","","","","","","N-{(7S)-10-[[(E)-2-s-trans]-2-Carbamothioyldiazenyl]-5,6...","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N=NC(=S)N)OC)OC)OC.CC(=O)O.CC(=O)[O-].[Na+]","UDFWXBZMTOVYKW-CFZZCFLMSA-M","54613368",NA,"PDBC43502","751151","Present"
-"N-{(Z)-2-(1,3-Benzodioxol-5-yl)-1-[(2-phenylhydrazino)carbonyl]vinyl}benzamide","","","","","","","","","","","","","","","","","","","","N-{(Z)-2-(1,3-Benzodioxol-5-yl)-1-[(2-phenylhydrazino)carbonyl]vinyl}benzamide","","C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NNC3=CC=CC=C3)NC(=O)C4=CC=CC=C4","OSEPBJOMVJGXKO-UYRXBGFRSA-N","5466767",NA,"PDBC43503","642631","Present"
-"N-{3-[(4-Chlorophenyl)sulfonyl]-4,5-dimethyl-2-furyl}acetamide","","","","","","","","","","","","","","","","","","","","N-{3-[(4-Chlorophenyl)sulfonyl]-4,5-dimethyl-2-furyl}acetamide","","CC1=C(OC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C)C","XDFYONPRVNMXGI-UHFFFAOYSA-N","393683",NA,"PDBC43504","696059","Present"
-"N-{3-[(E)-(Tert-Butoxyimino)methyl]-4-chlorophenyl}-2-methylthiophene-3-carbothioamide","","","","","","","","","","","","","","","","","","","","N-{3-[(E)-(Tert-Butoxyimino)methyl]-4-chlorophenyl}-2-methylthiophene-3-carbothioamide","","CC1=C(C=CS1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)(C)C","CUAFAPWAOHPDIJ-VXLYETTFSA-N","9554698",NA,"PDBC43505","668859","Present"
-"N-{4-[(1r,3s,5s)-3-Amino-5-Methylcyclohexyl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide","","","","","","","","","","","","","","","","","","","","LGH-447///PIM447","","CC1CC(CC(C1)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=CC=C4F)F","VRQXRVAKPDCRCI-ZNMIVQPWSA-N","44814409",NA,"PDBC43506","794109///801006","Present"
-"N-{4-[(4Z)-4-(3,4-Dichlorobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide","","","","","","","","","","","","","","","","","","","","N-{4-[(4Z)-4-(3,4-Dichlorobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide","","CC(=O)NC1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)O2","BGIQFOXWISVDGS-SXGWCWSVSA-N","5388407",NA,"PDBC43507","635825","Present"
-"N-{4-[(4Z)-4-(4-Chlorobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide","","","","","","","","","","","","","","","","","","","","N-{4-[(4Z)-4-(4-Chlorobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide","","CC(=O)NC1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)O2","ZXQMCHVVIDNZEW-YBEGLDIGSA-N","5388578",NA,"PDBC43508","637007","Present"
-"N-{4-[(Z)-(5-Oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl}acetamide","","","","","","","","","","","","","","","","","","","","N-{4-[(Z)-(5-Oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl}acetamide","","CC(=O)NC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3","FAGABTXSCPNPKD-WJDWOHSUSA-N","5388013",NA,"PDBC43509","630882","Present"
-"N-{4-[3-(4-Chloro-phenyl)-acryloyl]-phenyl}-2-nitrooxy-acetamide","","","","","","","","","","","","","","","","","","","","N-{4-[3-(4-Chloro-phenyl)-acryloyl]-phenyl}-2-nitrooxy-a...","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)NC(=O)CO[N+](=O)[O-])Cl","SFSTUVDSNPSDTA-XCVCLJGOSA-N","57392326",NA,"PDBC43510","752178","Present"
-"N-{4-ferrocenyl-5,5-bis-(4-hydroxyphenyl)-pent-4-enyl}su...","","","","","","","","","","","","","","","","","","","","N-{4-ferrocenyl-5,5-bis-(4-hydroxyphenyl)-pent-4-enyl}su...","","","","",NA,"PDBC43511","791461","Present"
-"N-{N-[Hydroxy(imino)methyl]carbamimidoyl}benzenecarboximidic acid","","","","","","","","","","","","","","","","","","","","N-[(E)-N'-Carbamoylcarbamimidoyl]benzamide","","C1=CC=C(C=C1)C(=O)NC(=NC(=O)N)N","MOQFXIWOXJAZRA-UHFFFAOYSA-N","9561213",NA,"PDBC43512","32656","Present"
-"N-{[(1R,5R,8S,12R,13R)-1,5-Dimethyl-10(trifluoromethyl)-1 1,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-e n-9-yl}-N-{[1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-trifluorome thyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexa dec-9-en-9-yl]methyl}-N-methylamine","","","","","","","","","","","","","","","","","","","","N-{[(1R,4S,5R,8S,12R,13R)-1,5-dimethyl-10(trifluoromethy...","","CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)CN(C)CC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F","UYOIXYZWHWFANV-OQVDRBNASA-N","54612638",NA,"PDBC43513","724777","Present"
-"N-{[(3-Fluoroanilino)carbonyl]oxy}butanimidoyl chloride","","","","","","","","","","","","","","","","","","","","Butanimidoyl chloride, N-[[[(3-fluorophenyl)amino] carbo...","","CCCC(=NOC(=O)NC1=CC(=CC=C1)F)Cl","VHYKGGYZKOXRQT-GDNBJRDFSA-N","9556253",NA,"PDBC43514","682831","Present"
-"6-Chloro-7-{[4-(chloromethyl)phenyl]methyl}-7H-purine","","","","","","","","","","","","","","","","","","","","N/A.","","C1=CC(=CC=C1CN2C=NC3=C2C(=NC=N3)Cl)CCl","ZWJCVKMMYBZQLN-UHFFFAOYSA-N","24204506",NA,"PDBC43515","732087","Present"
-"N1'',N2''-Bis(4-aminophenyl)ethanediimidamide","","","","","","","","","","","","","","","","","","","","N1'',N2''-bis(4-aminophenyl)oxalamidine","","C1=CC(=CC=C1N)N=C(C(=NC2=CC=C(C=C2)N)N)N","INGGFJSDOBBHRR-UHFFFAOYSA-N","300631",NA,"PDBC43516","175743","Present"
-"N1,1-Benzenediamine hydrochloride","","","","","","","","","","","","","","","","","","","","N1,N1-dimethyl-N4-(4-quinazolinyl)-4,1-benzenediamine hy...","","CN(C)C1=CC=C(C=C1)NC2=NC=NC3=CC=CC=C32.Cl","NSEDPDAOSUJXCH-UHFFFAOYSA-N","18590528",NA,"PDBC43517","728121","Present"
-"N1,N12-Bis(trifluoroacetyl)-N4,N8-bis(t-butoxycarbonyl)spermine","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamate","","CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F","HOCFWFDAYHFZPF-UHFFFAOYSA-N","389641",NA,"PDBC43518","685983","Present"
-"N1,N2-Bis[(2-ethyl-6-methyl-phenyl)carbamothioyl]phthalamide","","","","","","","","","","","","","","","","","","","","N1,N2-Bis[(2-ethyl-6-methyl-phenyl)carbamothioyl]phthalamide","","CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC=CC=C2C(=O)NC(=S)NC3=C(C=CC=C3CC)C)C","FXFKHEWTGSRENO-UHFFFAOYSA-N","3004259",NA,"PDBC43519","640958","Present"
-"N1,N2-Dimethyl-1,2-di(4-pyridinyl)-1,2-ethanediamine","","","","","","","","","","","","","","","","","","","","N1,N2-Dimethyl-1,2-di(4-pyridinyl)-1,2-ethanediamine","","CNC(C1=CC=NC=C1)C(C2=CC=NC=C2)NC","PQABABVPLVDKKK-UHFFFAOYSA-N","246671",NA,"PDBC43520","60036","Present"
-"N1,N4-Di(9H-fluoren-9-ylidene)-1,4-benzenediamine","","","","","","","","","","","","","","","","","","","","N1,N4-Di(9H-fluoren-9-ylidene)-1,4-benzenediamine","","C1=CC=C2C(=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)N=C5C6=CC=CC=C6C7=CC=CC=C75","GCKQVENQMOTMOW-UHFFFAOYSA-N","408275",NA,"PDBC43521","12339","Present"
-"N1,N8-Diacetylspermidine (hydrochloride)","","","","","","","","","","","","","","","","","","","","NSC685959","","CC(=O)NCCCCNCCCNC(=O)C.Cl","RWKXLCKGDFFGNU-UHFFFAOYSA-N","389612",NA,"PDBC43522","685959","Present"
-"N1-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-N3-((6-hydroxy-2-methyl-4-pyrimidinyl)methyl)isophthalamide","","","","","","","","","","","","","","","","","","","","1-N-[(2-Methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]benzene-1,3-dicarboxamide","","CC1=CC(=O)NC(=N1)CNC(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=O)NC(=N3)C","WBXPQDZEMBHSEX-UHFFFAOYSA-N","135494840",NA,"PDBC43523","636380","Present"
-"N1-(1,3-Benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide","","","","","","","","","","","","","","","","","","","","N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(...","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=CC=CC=C4S3","NAEVBAVXKKZMAT-PKNBQFBNSA-N","60148068",NA,"PDBC43524","753575","Present"
-"N1-(1,3-Benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxy}acetamide","","","","","","","","","","","","","","","","","","","","N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-...","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=CC=CC=C4S3","CAMQCEMRQLZRGR-KTKRTIGZSA-N","60143342",NA,"PDBC43525","753574","Present"
-"N1-(2,9,12-Trioxa-3,16-diazanonadecan-19-yl)-N1-methyl-N3-(2-(naphthalen-2-yl)quinolin-4-yl)propane-1,3-diaminium bromide","","","","","","","","","","","","","","","","","","","","N1-(2,15-dioxo-1-(pyren-1-yl)-6,9,12-trioxa-3,16-diazano...","","CN(CCCNC1=CC(=NC2=CC=CC=C21)C3=CC4=CC=CC=C4C=C3)CCCNC(=O)CCOCCOCCOCCNC(=O)CC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5.Br","ZCBYCWITATWYRM-UHFFFAOYSA-N","54613693",NA,"PDBC43526","749673","Present"
-"N1-(2-Methyl-1,3-benzothiazol-6-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide","","","","","","","","","","","","","","","","","","","","N1-(2-methyl-1,3-benzothiazol-6-yl)-2-2-methoxy-5-[(Z)-2...","","CC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=C(C=CC(=C3)C=CC4=CC(=C(C(=C4)OC)OC)OC)OC","NBXGDDJJVCFXFJ-SREVYHEPSA-N","60148080",NA,"PDBC43527","753587","Present"
-"N1-(2-Methyl-2-propenyl)-1,2-ethanediamine","","","","","","","","","","","","","","","","","","","","N1-(2-Methyl-2-propenyl)-1,2-ethanediamine","","CC(=C)CNCCN","DDOHLBXQNUTMBP-UHFFFAOYSA-N","224772",NA,"PDBC43528","13545","Present"
-"N1-(3,4,5-Trimethoxybenzylidene)-3-methoxyaniline","","","","","","","","","","","","","","","","","","","","Maybridge1_006080","","COC1=CC=CC(=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","OWNSQEXUMSVPCP-UHFFFAOYSA-N","396380",NA,"PDBC43529","702333","Present"
-"N1-(3-Chloro-4-methoxyphenyl)-2-[1-benzyl-4-(3-bromoanilino)-2,5-dihydro-1H-3-pyrrolylsulfanyl]acetamide","","","","","","","","","","","","","","","","","","","","N1-(3-chloro-4-methoxyphenyl)-2-[1-benzyl-4-(3-bromoanil...","","COC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=CC=C4)Br)Cl","NDBPJEPXBPJCJK-UHFFFAOYSA-N","1179944",NA,"PDBC43530","732974","Present"
-"N1-(3-Chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dihyd ro-1H-3-pyrrolylamino)benzamide","","","","","","","","","","","","","","","","","","","","N1-(3-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,5-d...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl","VVEZBISVCZRHRF-UHFFFAOYSA-N","1194861",NA,"PDBC43531","732820","Present"
-"N1-(3-Phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide","","","","","","","","","","","","","","","","","","","","Maybridge1_004665","","C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)C3=CC=C(C=C3)Cl","MCEUEMILDHFTQG-UHFFFAOYSA-N","339736",NA,"PDBC43532","367480","Present"
-"N1-(3-Trifluoromethylphenyl)-3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolylamino)benzamide","","","","","","","","","","","","","","","","","","","","N1-(3-trifluoromethylphenyl)-3-(1-benzyl-4-chloro-2,5-di...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F","PPPNGPXWHKFCOP-UHFFFAOYSA-N","1194866",NA,"PDBC43533","732822","Present"
-"N1-(4-Piperidinylmethyl)-1,2-ethanediamine","","","","","","","","","","","","","","","","","","","","N1-(4-Piperidinylmethyl)-1,2-ethanediamine","","C1CNCCC1CNCCN","VOOQJHYXJMACQI-UHFFFAOYSA-N","252485",NA,"PDBC43534","74472","Present"
-"N1-(4-Sulfamoylphenyl)-3-(1-benzyl-4-chloro-2,5-di hydro-1H-3-pyrrolylamino)benzamide","","","","","","","","","","","","","","","","","","","","N1-(4-sulfamoylphenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,...","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N","XVTAYNAPIJFSHK-UHFFFAOYSA-N","1194898",NA,"PDBC43535","732849","Present"
-"N1-(6-Chloro-4-quinazolinyl)-1,2-ethanediamine","","","","","","","","","","","","","","","","","","","","N1-(6-Chloro-4-quinazolinyl)-1,2-ethanediamine","","C1=CC2=C(C=C1Cl)C(=NC=N2)NCCN","HYMRIWWOGDIJHF-UHFFFAOYSA-N","242955",NA,"PDBC43536","52075","Present"
-"N1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide","","","","","","","","","","","","","","","","","","","","N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3...","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)F","VLEFCFBASOATKN-WEVVVXLNSA-N","60148070",NA,"PDBC43537","753577","Present"
-"N1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide","","","","","","","","","","","","","","","","","","","","N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2...","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)F","NVCOJLRZIWTYDP-WAYWQWQTSA-N","60148069",NA,"PDBC43538","753576","Present"
-"N1-(6-Methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide","","","","","","","","","","","","","","","","","","","","N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-...","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=CC(=C3)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","QYNSMTLYYMKJEP-UXBLZVDNSA-N","60148072",NA,"PDBC43539","753579","Present"
-"N1-(6-Methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide","","","","","","","","","","","","","","","","","","","","N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-...","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=CC(=C3)C=CC4=CC(=C(C(=C4)OC)OC)OC)OC","VSXBADKKRGHCLJ-SREVYHEPSA-N","60148071",NA,"PDBC43540","753578","Present"
-"N1-(6-Methoxy-1,5-dioxo-10-phenyl-5,10-dihydro-5-benzo[e][1,2,4]triazolo[4,3-b][1,2,4]thiadiazin-3-yl)sulfanyl]acetamide","","","","","","","","","","","","","","","","","","","","N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5,5-dioxo-10-ph...","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C4N3S(=O)(=O)C5=CC=CC=C5N4C6=CC=CC=C6","SBVXHZZEZANPCO-UHFFFAOYSA-N","42643013",NA,"PDBC43541","743435","Present"
-"N1-(7-Chloro-1,2,3,4-tetrahydro-9-acridinyl)-N3,N3-dimethyl-1,3-propanediamine","","","","","","","","","","","","","","","","","","","","N1-(7-Chloro-1,2,3,4-tetrahydro-9-acridinyl)-N3,N3-dimethyl-1,3-propanediamine","","CN(C)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl","SGFKZQRIWFBYKO-UHFFFAOYSA-N","239932",NA,"PDBC43542","45730","Present"
-"N1-(7-Chloro-4-quinolinyl)-N2-cyclohexyl-1,2-ethanediamine","","","","","","","","","","","","","","","","","","","","N1-(7-Chloro-4-quinolinyl)-N2-cyclohexyl-1,2-ethanediamine","","C1CCC(CC1)NCCNC2=C3C=CC(=CC3=NC=C2)Cl","IUBMTYVIPGXROV-UHFFFAOYSA-N","224506",NA,"PDBC43543","13028","Present"
-"N1-Benzylidene-N4-(7-chloroquinolin-4-yl) butane-1,4-diamine","","","","","","","","","","","","","","","","","","","","N1-benzylidene-N4-(7-chloroquinolin-4-yl) butane-1,4-dia...","","C1=CC=C(C=C1)C=NCCCCNC2=C3C=CC(=CC3=NC=C2)Cl","RIZOFCFQSDJSSP-UHFFFAOYSA-N","380062",NA,"PDBC43544","665363","Present"
-"N1-[4-(1,3,5,11a-Tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypentanamide","","","","","","","","","","","","","","","","","","","","N1-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(11aS)-7-methoxy...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5","OSFALCKEXXJRRF-QFIPXVFZSA-N","45028395",NA,"PDBC43545","742412","Present"
-"N1-[4-Chloro-2-(2-chlorObenzoyl)phenyl]-2-[4-(2-pyrimidinyl)piperazino]acetamide","","","","","","","","","","","","","","","","","","","","1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pyrimidi...","","C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C4=NC=CC=N4","GYSNKHLVKQRUNC-UHFFFAOYSA-N","24206026",NA,"PDBC43546","737734","Present"
-"N1-[4-Chloro-2-(2-chloro benzyol)phenyl]-2-[4-(4-quinazolinyl)piperazino)acetamide","","","","","","","","","","","","","","","","","","","","N1-[ 4-chloro-2-(2-chloro benzyol)phenyl]-2-[4-(4-quinaz...","","C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C4=NC=NC5=CC=CC=C54","AOUYGWBNVDGMES-UHFFFAOYSA-N","25030791",NA,"PDBC43547","742258","Present"
-"N1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-furylcarbonyl)piperazino]acetamide","","","","","","","","","","","","","","","","","","","","N1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-  furylc...","","C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C(=O)C4=CC=CO4","NVLNOHDEOSDLHX-UHFFFAOYSA-N","45028671",NA,"PDBC43548","743640","Present"
-"N1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide","","","","","","","","","","","","","","","","","","","","1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pheridyl...","","C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C4=CC=CC=N4","UFXUUMCOBAZHNF-UHFFFAOYSA-N","24206025",NA,"PDBC43549","737733","Present"
-"N1-[4-Chloro-2-(2-chlorobenzyl)phenyl]-2-[4-(5-[-(11aS)-7-methoxy-5-oxo-2,5,11a,-tetrahydro-1H-benzo[e]pyrrolo[1,2-a] [1,4]diazepin-8-yl]oxybutyl)piperazino]acetamide","","","","","","","","","","","","","","","","","","","","N1-[4-chloro-2-(2-chlorobenzyl)phenyl]-2-[4-(5-[-(11aS)-...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6Cl","ZLTJRBWBVYPAME-UHFFFAOYSA-N","45028541",NA,"PDBC43550","743122","Present"
-"N1-[4-Chloro-2-(2-cholrobenzoyl)phenyl]-2-[4-(6-[(11aS)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxyhexyl)piperazino]acetamide","","","","","","","","","","","","","","","","","","","","N1-[4-chloro-2-(2-cholrobenzoyl)phenyl]-2-[4-(6-[(11aS)-...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCN4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6Cl","OVOQKQFNIMCAPH-UHFFFAOYSA-N","45028547",NA,"PDBC43551","743134","Present"
-"N1-[6-(Trifluoromethyl)-1,3-benzothiazol-2-yl]-2-5-[1-acetyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-5-pyrazolyl]-2-methoxyphenoxyacetamide","","","","","","","","","","","","","","","","","","","","N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-5-[1-ac...","","CC(=O)N1C(CC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C=C3)OC)OCC(=O)NC4=NC5=C(S4)C=C(C=C5)C(F)(F)F","CTDNMZSCKGWXBZ-UHFFFAOYSA-N","60148079",NA,"PDBC43552","753586","Present"
-"N1-hydrazino-(imino)-methyl-1,6-hexanediamine and N1-ami...","","","","","","","","","","","","","","","","","","","","N1-hydrazino-(imino)-methyl-1,6-hexanediamine and N1-ami...","","","","",NA,"PDBC43553","798016","Present"
-"N1=C2C=CC=CN2C2=C1C1=CC=C(N)C=C1C(=O)C2=O","","","","","","","","","","","","","","","","","","","","3-amino-naphtho[1',2':4,5]-imidazo[1,2-a]pyridine-5,6-dione","","C1=CC2=NC3=C(N2C=C1)C(=O)C(=O)C4=C3C=CC(=C4)N","BRUWZCBQFFTVMD-UHFFFAOYSA-N","70287067",NA,"PDBC43554","795137","Present"
-"N1=CN=C2NC=NC2=C1C=1C(=NC=CC=1)NC=1C=CC(=C(C=1)NC(C1=CC(=CC(=C1)F)C(C)(C)C#N)=O)F","","","","","","","","","","","","","","","","","","","","3-(Cyano-dimethyl-methyl)-5-fluoro-N-{2-fluoro-5-[3-(9H-...","","CC(C)(C#N)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)NC3=C(C=CC=N3)C4=C5C(=NC=N4)N=CN5)F)F","NHEUWKUXYSBVSF-UHFFFAOYSA-N","130321838",NA,"PDBC43555","791135","Present"
-"N2,3]Thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide","","","","","","","","","","","","","","","","","","","","N2,N3-di(4-fluorophenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo...","","CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)F","BGSYOYUBPHBJFH-UHFFFAOYSA-N","1426143",NA,"PDBC43556","743219","Present"
-"N2,N4,N6-Tribenzoyloxy-methyl-N2,N4,N6-trimethylmelamine","","","","","","","","","","","","","","","","","","","","N2,N4,N6-Tribenzoyloxy-methyl-N2,N4,N6-trimethylmelamine","","CN(COC(=O)C1=CC=CC=C1)C2=NC(=NC(=N2)N(C)COC(=O)C3=CC=CC=C3)N(C)COC(=O)C4=CC=CC=C4","WEBQKVQHTMTCHV-UHFFFAOYSA-N","362185",NA,"PDBC43557","625774","Present"
-"N2,N4,N6-Triisobutyryloxymthyl-N2,N4,N6-trimethylmelamine","","","","","","","","","","","","","","","","","","","","N2,N4,N6-Triisobutyryloxymthyl-N2,N4,N6-trimethylmelamine","","CC(C)C(=O)OCN(C)C1=NC(=NC(=N1)N(C)COC(=O)C(C)C)N(C)COC(=O)C(C)C","ZSXOANIPCHTAHO-UHFFFAOYSA-N","362524",NA,"PDBC43558","626551","Present"
-"N2,N4,N6-Tripivaloyloxymethyl-N2,N4,N6-trimethylmelamine","","","","","","","","","","","","","","","","","","","","N2,N4,N6-Tripivaloyloxymethyl-N2,N4,N6-trimethylmelamine","","CC(C)(C)C(=O)OCN(C)C1=NC(=NC(=N1)N(C)COC(=O)C(C)(C)C)N(C)COC(=O)C(C)(C)C","MIHXHXSBWFLLEV-UHFFFAOYSA-N","362525",NA,"PDBC43559","626552","Present"
-"N2,N4,N6-Tripropionyloxy-methyl-N2,N4,N6-trimethylmelamine","","","","","","","","","","","","","","","","","","","","N2,N4,N6-Tripropionyloxy-methyl-N2,N4,N6-trimethylmelamine","","CCC(=O)OCN(C)C1=NC(=NC(=N1)N(C)COC(=O)CC)N(C)COC(=O)CC","JXPJDCWDHZVTRP-UHFFFAOYSA-N","362184",NA,"PDBC43560","625773","Present"
-"N2-(3,5,7-Triamine","","","","","","","","","","","","","","","","","","","","N2-(3,4-Dichloro-benzyl)-3-phenyl-quinoxaline-2,5,7-tria...","","C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NCCC4=CC(=C(C=C4)Cl)Cl)N)N","MRJUELJRHRZODX-UHFFFAOYSA-N","45028195",NA,"PDBC43561","741584","Present"
-"N2-(3,6,8-Triamin e","","","","","","","","","","","","","","","","","","","","N2-(3,4-Dichloro-phenyl)-N2-methyl-quinoxaline-2,6,8-tri...","","CN(C1=CC(=C(C=C1)Cl)Cl)C2=NC3=C(C=C(C=C3N=C2)N)N","CAOTUSNTLOUUQX-UHFFFAOYSA-N","24205960",NA,"PDBC43562","737516","Present"
-"N2-(4 Methoxybenzyl)quinoxaline-2,7-diamine","","","","","","","","","","","","","","","","","","","","N2-(4 methoxybenzyl)quinoxaline-2,7-diamine","","COC1=CC=C(C=C1)CNC2=CN=C3C=CC(=CC3=N2)N","HGNIQGQDVVWNGE-UHFFFAOYSA-N","374665",NA,"PDBC43563","652765","Present"
-"N2-(4-Fluorophenyl)-N3-(2-methoxyphenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide","","","","","","","","","","","","","","","","","","","","N2-(4-fluorophenyl)-N3-(2-methoxyphenyl)-5-oxo-7-propyl-...","","CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4OC","FLDJSHYBVUQNBH-UHFFFAOYSA-N","1426145",NA,"PDBC43564","743220","Present"
-"N2-Benzoyl-2',3'-dideoxyguanosine","","","","","","","","","","","","","","","","","","","","N2-Benzoyl-2',3'-dideoxyguanosine","","C1CC(OC1CO)N2C=NC3=C2N=C(N(C3=O)C(=O)C4=CC=CC=C4)N","YOXFWAONAZHRBJ-UHFFFAOYSA-N","369275",NA,"PDBC43565","641006","Present"
-"N2-Isobutyrylguanine","","","","","","","","","","","","","","","","","","","","N2-Isobutyrylguanine","","CC(C)C(=O)NC1=NC2=C(C(=O)N1)NC=N2","CFIBTBBTJWHPQV-UHFFFAOYSA-N","135437285",NA,"PDBC43566","637538","Present"
-"N3,N5-Dibenzyl-4-(2-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N3,N5-Dibenzyl-4-(2-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4=CC=CC=C4","CFFDFSVZANORFE-UHFFFAOYSA-N","366927",NA,"PDBC43567","636091","Present"
-"N3,N5-Dibenzyl-4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N3,N5-Dibenzyl-4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=CO3)C(=O)NCC4=CC=CC=C4","XYIGLVQYHIYYNZ-UHFFFAOYSA-N","366859",NA,"PDBC43568","635838","Present"
-"N3-(4-Chloro-3-methylphenyl)-N2-(4-fluorophenyl)-5-oxo-7-pro pyl-5H-[1,2-a]pyrimidine-2,3-dicarboxamide","","","","","","","","","","","","","","","","","","","","N3-(4-chloro-3-methylphenyl)-N2-(4-fluorophenyl)-5-oxo-7...","","CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=C(C=C(C=C4)Cl)C","XRBGBMZQHJUDGO-UHFFFAOYSA-N","1426152",NA,"PDBC43569","743221","Present"
-"N3-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(2,4-dichloroanilino)nicotinamide","","","","","","","","","","","","","","","","","","","","N3-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2,4-dichloroanili...","","C1=CC(=C(N=C1)NC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)F","MUTWCPNKQZWAJS-UHFFFAOYSA-N","54612772",NA,"PDBC43570","748856","Present"
-"N3-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyanilino)nicotinamide","","","","","","","","","","","","","","","","","","","","N3-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxya...","","COC1=CC(=CC(=C1OC)OC)NC2=C(C=CC=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F","UDEZJHFKYPHLQR-UHFFFAOYSA-N","54613686",NA,"PDBC43571","748854","Present"
-"N3-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(4-chloroanilino)nicotinamide","","","","","","","","","","","","","","","","","","","","N3-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-chloroanilino)n...","","C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)F","SZMPIKKCAUKFAD-UHFFFAOYSA-N","54612773",NA,"PDBC43572","748857","Present"
-"N3-(6-Methoxy-1,4,5-trimethoxyanilino)nicotinamide","","","","","","","","","","","","","","","","","","","","N3-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxy...","","COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)NC4=CC(=C(C(=C4)OC)OC)OC","QMVQZOPOAYGRAJ-UHFFFAOYSA-N","54612978",NA,"PDBC43573","748084","Present"
-"N4,N4-Diisobutyl-6-methyl-4-quinazolinamine diisobutyl(6-methyl-4-quinazolinyl)amine hydrochloride","","","","","","","","","","","","","","","","","","","","N4,N4-diisobutyl-6-methyl-4-quinazolinamine diisobutyl(6...","","CC1=CC2=C(C=C1)N=CN=C2N(CC(C)C)CC(C)C.Cl","HCIQMRMHTMEDMQ-UHFFFAOYSA-N","18558695",NA,"PDBC43574","727846","Present"
-"N4,N8-Diphenylthieno[2,3-f]benzothiophene-4,8-diimine","","","","","","","","","","","","","","","","","","","","Neuro_000404","","C1=CC=C(C=C1)N=C2C3=C(C(=NC4=CC=CC=C4)C5=C2SC=C5)SC=C3","SWVMSZWCAUYRDW-UHFFFAOYSA-N","381596",NA,"PDBC43575","668405","Present"
-"N4-(3-Methoxyphenyl)-2-(1-ethylpropyl)-4-quinazolinamine 2-(1-ethylpropyl)-4-quinazolinyl(3-methoxyphenyl)amine","","","","","","","","","","","","","","","","","","","","N4-(3-methoxyphenyl)-2-(1-ethylpropyl)-4-quinazolinamine...","","CCC(CC)C1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC=C3)OC","GWYMWLBAIOQNDQ-UHFFFAOYSA-N","729549",NA,"PDBC43576","730026","Present"
-"N4-(4-Chlorophenyl)-4-quinazolinamine 4-chlorophenyl(4-quinazolinyl)amine hydrochloride","","","","","","","","","","","","","","","","","","","","N4-(4-chlorophenyl)-4-quinazolinamine 4-chlorophenyl(4-q...","","C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)Cl.Cl","PWDJVJUBLDNKLF-UHFFFAOYSA-N","2789325",NA,"PDBC43577","728115","Present"
-"N4-(6-Methoxy-8-quinolinyl)-1,phosphate salt","","","","","","","","","","","","","","","","","","","","N4-(6-Methoxy-8-quinolinyl)-1,4-hexanediamine,phosphate ...","","CCC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O","NJLGTKFFCDBOGZ-UHFFFAOYSA-N","380141",NA,"PDBC43578","665545","Present"
-"N4-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine phosphate","","","","","","","","","","","","","","","","","","","","primaquine phosphate///Primaquine diphosphate","","CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O","RKFFPTPBADAVDU-UHFFFAOYSA-N","359247",NA,"PDBC43579","149765///619961","Present"
-"N4-Octadecylcytarabine","","","","","","","","","","","","","","","","","","","","noac","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","HQHQCEKUGWOYPS-UHFFFAOYSA-N","389286",NA,"PDBC43580","685096","Present"
-"N4-Octadeyl-arabinocytidylyl-(5'.fwdarw.5')-5-fluoro-2'-deoxy uridine","","","","","","","","","","","","","","","","","","","","N4-octadeyl-arabinocytidylyl-(5'.fwdarw.5')-5-fluoro-2'-...","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O)O)O","ABPZZJZNSURGGM-UHFFFAOYSA-N","405222",NA,"PDBC43581","722308","Present"
-"N5-(Phosphonomethyl)-d-glutamine","","","","","","","","","","","","","","","","","","","","NSC672918","","C(CC(=O)NCP(=O)(O)O)C(C(=O)O)N","GWOPGJQZELPHHS-SCSAIBSYSA-N","383954",NA,"PDBC43582","672918","Present"
-"N6,N6,N8,N8-Tetraethylthieno[3,4-f]pentathiepine-6,8-diamine","","","","","","","","","","","","","","","","","","","","N,N,N?,N?-Tetraethyl-thieno[3,4-f][1,2,3,4,5]pentathiepi...","","CCN(CC)C1=C2C(=C(S1)N(CC)CC)SSSSS2","USFSNINESMUBSY-UHFFFAOYSA-N","406615",NA,"PDBC43583","724855","Present"
-"N6-(2-Methoxyphenyl)-5-methyl-4-oxo-3-(2-phenoxyethyl)-3,3-d]pyrimidine-6-carboxamide","","","","","","","","","","","","","","","","","","","","N6-(2-methoxyphenyl)-5-methyl-4-oxo-3-(2-phenoxyethyl)-3...","","CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC","XYCHMKDCYAZVRU-UHFFFAOYSA-N","1178182",NA,"PDBC43584","730214","Present"
-"N6-(4-Methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine","","","","","","","","","","","","","","","","","","","","N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitro...","","CC1=CC(=NC=C1)NC2=NC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3","OAEWOLLUOVFYIT-UHFFFAOYSA-N","155804527",NA,"PDBC43585","780958","Present"
-"N6-Benzyladenosine-5'-phosphate","","","","","","","","","","","","","","","","","","","","N6-Benzyladenosine-5'-phosphate","","C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O","DWVANBHPEPSMOV-UHFFFAOYSA-N","318601",NA,"PDBC43586","255523","Present"
-"N6-Isopentenyladenosine-5'-monophosphate sodium salt","","","","","","","","","","","","","","","","","","","","NSC268226","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)C","DUISZFLWBAPRBR-UHFFFAOYSA-N","320410",NA,"PDBC43587","268226","Present"
-"N6-Phenyl-3-(3-chlorobenzyl)-5-methyl-4-oxo-3,3-d]pyrimidine-6-carboxamide","","","","","","","","","","","","","","","","","","","","N6-phenyl-3-(3-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrot...","","CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4","KLTUIJIOSGTWOY-UHFFFAOYSA-N","1191776",NA,"PDBC43588","732903","Present"
-"N8-Actinomycin D","","","","","","","","","","","","","","","","","","","","N8-Actinomycin D","","CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(O4)C(=CN=C5C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)C)N","DVAQENANCBGZCP-UHFFFAOYSA-N","383040",NA,"PDBC43589","671030","Present"
-"N9,N10-Diphenylthiazolo[3,2-a]perimidine-9,10-diimine","","","","","","","","","","","","","","","","","","","","N9,N10-Diphenylthiazolo[3,2-a]perimidine-9,10-diimine","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC4=NC5=CC=CC6=C5C(=CC=C6)N24","DXLHLMAHDYNHRB-UHFFFAOYSA-N","383250",NA,"PDBC43590","671364","Present"
-"N9-[(m-Chloromethyl phenyl)methyladenine","","","","","","","","","","","","","","","","","","","","N9-[(m-Chloromethyl phenyl)methyladenine","","C1=CC(=CC(=C1)CCl)CN2C=NC3=C(N=CN=C32)N","ZRAYBADLESKDNN-UHFFFAOYSA-N","405653",NA,"PDBC43591","723072","Present"
-"N9-[(p-Chloromethyl phenyl)methyl]adenine","","","","","","","","","","","","","","","","","","","","N9-[(p-Chloromethyl phenyl)methyl]adenine","","C1=CC(=CC=C1CN2C=NC3=C(N=CN=C32)N)CCl","BZHRIQDHGAHLFP-UHFFFAOYSA-N","405652",NA,"PDBC43592","723071","Present"
-"NAPHTHO(2,1-b)FURAN, 1-METHYL-2-NITRO-","","","","","","","","","","","","","","","","","","","","R 7371","","CC1=C(OC2=C1C3=CC=CC=C3C=C2)[N+](=O)[O-]","CVUUOLKFENQCEZ-UHFFFAOYSA-N","55508",NA,"PDBC43593","373980","Present"
-"NAPHTHO(2,1-b)FURAN-1-ETHANOL, 2-NITRO-","","","","","","","","","","","","","","","","","","","","R 7516","","C1=CC=C2C(=C1)C=CC3=C2C(=C(O3)[N+](=O)[O-])CCO","DMTZMRKTFPMXSU-UHFFFAOYSA-N","56909",NA,"PDBC43594","373981","Present"
-"NBIVAZIYSPCOIW-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","NBIVAZIYSPCOIW-UHFFFAOYSA-N","","CC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2)F)N4CCN(CC4)C","NBIVAZIYSPCOIW-UHFFFAOYSA-N","394299",NA,"PDBC43595","697666","Present"
-"NC1=C(C=CC=C1)NC(C1=CC=C(C=C1)Cccc(=O)NC1=CC=C(C=C1)ccnn)=O","","","","","","","","","","","","","","","","","","","","N-(2-aminophenyl)-4-(4-{[4-(2-hydrazinyle thyl)phenyl]am...","","C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)CCNN","VNSRIYJQKXIAJK-UHFFFAOYSA-N","118362845",NA,"PDBC43596","782118","Present"
-"NCGC00350716-01","","","","","","","","","","","","","","","","","","","","NCGC00350716-01","","COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)C#N","UKITXDLNCSNFGI-UHFFFAOYSA-N","155811593",NA,"PDBC43597","778871","Present"
-"NCI-320000","","","","","","","","","","","","","","","","","","","","NCI-320000","","C1=CC=C2C(=C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)O)CCN","KJJNDJAXTRLOOD-UHFFFAOYSA-N","330747",NA,"PDBC43598","320000","Present"
-"NCI-372939","","","","","","","","","","","","","","","","","","","","NCI-372939","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCN)[N+](=O)[O-]","XYSUDZRZSXTBRQ-UHFFFAOYSA-N","3449946",NA,"PDBC43599","372939","Present"
-"NCIChal_000043","","","","","","","","","","","","","","","","","","","","NCIChal_000043","","CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2N3C1=C4C(=NN=C4N)C5=CC=CC=C53","POQYYJWQHIPBMV-UHFFFAOYSA-N","393018",NA,"PDBC43600","694266","Present"
-"NCIChal_000048","","","","","","","","","","","","","","","","","","","","NCIChal_000048","","C1=CC=C2C(=C1)C=CC(=C2C3=NN=C(O3)CCCCCCCCC4=NN=C(O4)C5=C(C=CC6=CC=CC=C65)O)O","LMUIUBHMIJCJHX-UHFFFAOYSA-N","394071",NA,"PDBC43601","697189","Present"
-"NCIChal_000050","","","","","","","","","","","","","","","","","","","","NCIChal_000050","","C1=CC=C(C=C1)N2C(=C(C(=C2SSC3=C(C(=C(N3C4=CC=CC=C4)N)C#N)C#N)C#N)C#N)N","ATAUTMWGYTVCOA-UHFFFAOYSA-N","394239",NA,"PDBC43602","697568","Present"
-"NCIMech_000015","","","","","","","","","","","","","","","","","","","","NCIMech_000015","","C1COS(=O)(=O)C(S(=O)(=O)O1)CC2=CC=CC=C2","HXWUVBHUWIDOSM-UHFFFAOYSA-N","366454",NA,"PDBC43603","634863","Present"
-"NCIMech_000043","","","","","","","","","","","","","","","","","","","","NCIMech_000043","","C1C(NC2=C(C=C(C=C2)Cl)NC1C3=CC=CC=C3)C#N","JUEAFDHIWLJVJJ-UHFFFAOYSA-N","291072",NA,"PDBC43604","155595","Present"
-"NCIMech_000057","","","","","","","","","","","","","","","","","","","","NCIMech_000057","","CCOC(=O)C1=CC=C(N1)C2=CC(=NO2)C","SVDRCCNWQAEOFZ-UHFFFAOYSA-N","392537",NA,"PDBC43605","693053","Present"
-"NCIMech_000066","","","","","","","","","","","","","","","","","","","","NCIMech_000066","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl","ZLIKMIMZJKADTK-UHFFFAOYSA-N","369480",NA,"PDBC43606","641250","Present"
-"NCIMech_000084","","","","","","","","","","","","","","","","","","","","NCIMech_000084","","C1=CC=C2C(=C1)C3=C(C=C(C=C3)NC(=O)C(Cl)Cl)OC2=O","RZYWKLGZNISKEM-UHFFFAOYSA-N","248620",NA,"PDBC43607","65937","Present"
-"NCIMech_000091","","","","","","","","","","","","","","","","","","","","NCIMech_000091","","CCOC(=O)CCC1=C(C2=C(C=C(C=C2OC1=O)O)O)C","WHVZMGHWQWXEAU-UHFFFAOYSA-N","5351353",NA,"PDBC43608","622616","Present"
-"NCIMech_000095","","","","","","","","","","","","","","","","","","","","NCIMech_000095","","C1=CC(=C(C=C1C2=NC(=S)NN2)[N+](=O)[O-])O","LMAMJUUHEQCDSQ-UHFFFAOYSA-N","4359419",NA,"PDBC43609","635563","Present"
-"NCIMech_000122","","","","","","","","","","","","","","","","","","","","NCIMech_000122","","CC1=C2C(=C(C=C1)Cl)C(=C(N2)O)N=NC3=CC=CC=C3[N+](=O)[O-]","GVHBBBXEGNJGME-UHFFFAOYSA-N","3407061",NA,"PDBC43610","118735","Present"
-"NCIMech_000126","","","","","","","","","","","","","","","","","","","","NCIMech_000126","","CC1=C2C(=C(C=C1)C)NC(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O","HWIOSUDFKMWKTI-UHFFFAOYSA-N","3403987",NA,"PDBC43611","118732","Present"
-"NCIMech_000128","","","","","","","","","","","","","","","","","","","","NCIMech_000128","","CC1=C(C=CC(=C1)N(C)C)N=NC2=CC3=C(C=C2)N=CC=C3","PYUGLZIVWJGWCX-UHFFFAOYSA-N","387118",NA,"PDBC43612","680516","Present"
-"NCIMech_000140","","","","","","","","","","","","","","","","","","","","NCIMech_000140","","C1=CC(=CC(=C1)C(F)(F)F)CC2=C(C(=NC(=N2)N)N)C3=CC(=CC=C3)C(F)(F)F","CQCYWCWYOWSXIW-UHFFFAOYSA-N","415629",NA,"PDBC43613","71669","Present"
-"NCIMech_000164","","","","","","","","","","","","","","","","","","","","NCIMech_000164","","COC(=O)C1=C(C(=O)NC(=S)N1)C2=CC=C(C=C2)Cl","VBTOUFRMJPKHIX-UHFFFAOYSA-N","3004178",NA,"PDBC43614","635140","Present"
-"NCIMech_000199","","","","","","","","","","","","","","","","","","","","NCIMech_000199","","C1=CC=C(C=C1)NC(=S)N2C(=O)C(=NN(C2=S)C(=S)NC3=CC=CC=C3)C4=CC=CC=C4NC(=O)C(F)(F)F","XUXMPNJLGQRKNN-UHFFFAOYSA-N","3001564",NA,"PDBC43615","623093","Present"
-"NCIMech_000211","","","","","","","","","","","","","","","","","","","","NCIMech_000211","","CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=C(C(=CC=C2)Cl)C","XQLQHCFPOVDLAK-UHFFFAOYSA-N","362112",NA,"PDBC43616","625641","Present"
-"NCIMech_000212","","","","","","","","","","","","","","","","","","","","NCIMech_000212","","CC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC(=C2)C(C)(C)C)O)C3CCCCC3","KLGRWWNBLUHQPB-UHFFFAOYSA-N","241052",NA,"PDBC43617","48151","Present"
-"NCIMech_000213","","","","","","","","","","","","","","","","","","","","NCIMech_000213","","C1=CC=C(C=C1)CCC(=O)ON2C(=O)C3=CC=CC=C3N=N2","VZELLNGPUYTDMW-UHFFFAOYSA-N","364363",NA,"PDBC43618","630374","Present"
-"NCIMech_000253","","","","","","","","","","","","","","","","","","","","NCIMech_000253","","CCOC(=O)CCN1C(=O)C(=C(C=N1)Cl)Cl","GIWZNWWYUPSNOQ-UHFFFAOYSA-N","366144",NA,"PDBC43619","634471","Present"
-"NCIMech_000255","","","","","","","","","","","","","","","","","","","","NCIMech_000255","","CCOC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)O","ROOCNULMRLQKSC-UHFFFAOYSA-N","5351424",NA,"PDBC43620","667235","Present"
-"NCIMech_000257","","","","","","","","","","","","","","","","","","","","NCIMech_000257","","C1=CNC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=CN4","OZZFDRYXQMGCQY-UHFFFAOYSA-N","394788",NA,"PDBC43621","698573","Present"
-"NCIMech_000258","","","","","","","","","","","","","","","","","","","","NCIMech_000258","","CCOC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)O)C(=O)C3=CC=CC=C3)C","OEPMMCBMWRVWJL-UHFFFAOYSA-N","5351226",NA,"PDBC43622","115538","Present"
-"NCIMech_000292","","","","","","","","","","","","","","","","","","","","NCIMech_000292","","C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O","QHFDSZUYDHUQHL-UHFFFAOYSA-N","249398",NA,"PDBC43623","67690","Present"
-"NCIMech_000330","","","","","","","","","","","","","","","","","","","","NCIMech_000330","","CN1C2=NC3=C(C=C2C=N1)C(=CC=C3)NC4=CC=C(C=C4)Cl","FVIKROWDZIGBFN-UHFFFAOYSA-N","360580",NA,"PDBC43624","622732","Present"
-"NCIMech_000338","","","","","","","","","","","","","","","","","","","","NCIMech_000338","","C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OP(=O)(N)N(CCCl)CCCl","VTACKYDNMSOGFM-UHFFFAOYSA-N","335450",NA,"PDBC43625","345081","Present"
-"NCIMech_000349","","","","","","","","","","","","","","","","","","","","NCIMech_000349","","CC1=CC(N=C2N1N=C(S2)C3=CC=C(C=C3)N)(C)C","NTIMRUPYHLCCOG-UHFFFAOYSA-N","369067",NA,"PDBC43626","640624","Present"
-"NCIMech_000353","","","","","","","","","","","","","","","","","","","","NCIMech_000353","","CC1=CC(=O)C2=C1C(=CC=C2)NC3=NCCO3","MRPJJNHJZMWMNV-UHFFFAOYSA-N","379622",NA,"PDBC43627","664331","Present"
-"NCIMech_000362","","","","","","","","","","","","","","","","","","","","NCIMech_000362","","C1=CC=C(C=C1)CN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53","CVVPLIBSSHGDNT-UHFFFAOYSA-N","333739",NA,"PDBC43628","337612","Present"
-"NCIMech_000364","","","","","","","","","","","","","","","","","","","","NCIMech_000364","","CC1=C(C=CC(=C1)Cl)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","BJZVDVOAEGMENU-UHFFFAOYSA-N","360715",NA,"PDBC43629","623051","Present"
-"NCIMech_000391","","","","","","","","","","","","","","","","","","","","NCIMech_000391","","CN(C1=CC2=CC=CC=C2C=C1)NC3=NCCO3","BTLKZYPIZDAICY-UHFFFAOYSA-N","379593",NA,"PDBC43630","664286","Present"
-"NCIMech_000398","","","","","","","","","","","","","","","","","","","","NCIMech_000398","","CC1=CC(=C(C(=O)O1)C=NC(=S)N)O","SIQTYMPMYUEENP-XCVCLJGOSA-N","135409057",NA,"PDBC43631","657449","Present"
-"NCIMech_000414","","","","","","","","","","","","","","","","","","","","NCIMech_000414","","CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)CCC#N","CDXOCXGRPWTQKC-UHFFFAOYSA-N","359416",NA,"PDBC43632","620279","Present"
-"NCIMech_000418","","","","","","","","","","","","","","","","","","","","NCIMech_000418","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(N(C(=N2)N)C3=CC(=C(C=C3)Cl)Cl)(C)C","JKBAKQRRBSSBIQ-UHFFFAOYSA-N","353973",NA,"PDBC43633","603624","Present"
-"NCIMech_000430","","","","","","","","","","","","","","","","","","","","NCIMech_000430","","CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=CC=C3O)C(=O)NCC4=CC=CC=C4","PRKINNFKLDCIEL-UHFFFAOYSA-N","366469",NA,"PDBC43634","634928","Present"
-"NCIMech_000471","","","","","","","","","","","","","","","","","","","","NCIMech_000471","","COC1=C2CCCCC2=C(C=C1)NC3=NCCO3","SFQNHUGBLWODEZ-UHFFFAOYSA-N","38508",NA,"PDBC43635","663996","Present"
-"NCIMech_000488","","","","","","","","","","","","","","","","","","","","NCIMech_000488","","CCOC(=O)C1=C(CSC1=NC2=CC=C(C=C2)N=C3C(=C(CS3)O)C(=O)OCC)O","WZZMWLXWQIAQJF-UHFFFAOYSA-N","135426844",NA,"PDBC43636","623746","Present"
-"NCIMech_000490","","","","","","","","","","","","","","","","","","","","NCIMech_000490","","COC(=O)NC(=NC1=C(C=C(C=C1)OC2=CC=CC=C2)NC=O)NC(=O)OC","UGPNCGUBNMKORD-UHFFFAOYSA-N","135426845",NA,"PDBC43637","630032","Present"
-"NCIMech_000492","","","","","","","","","","","","","","","","","","","","NCIMech_000492","","CN1C=NC(=C1SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]","QUODPUMWDDZXDG-UHFFFAOYSA-N","364620",NA,"PDBC43638","631152","Present"
-"NCIMech_000510","","","","","","","","","","","","","","","","","","","","NCIMech_000510","","CC(=C1C=NC2=CC=CC=C2S1)NNC(=O)C3=CC=CC=C3O","XBONPGBHPAUWOL-WJDWOHSUSA-N","5388346",NA,"PDBC43639","635121","Present"
-"NCIMech_000532","","","","","","","","","","","","","","","","","","","","NCIMech_000532","","CC1=C2CCCC2=C(C=C1)C(=N)C3=CC=CC4=C3C=C(C=C4)OC","IVNBNEPYOUIZOL-UHFFFAOYSA-N","362067",NA,"PDBC43640","625590","Present"
-"NCIMech_000562","","","","","","","","","","","","","","","","","","","","NCIMech_000562","","COC1=CC2=C(C=C1)C3=NNC(=C3CC2)C4=C5CCC6=C(C5=NN4)C=CC(=C6)OC","SYDAHIUDHIKUAF-UHFFFAOYSA-N","340765",NA,"PDBC43641","371846","Present"
-"NCIMech_000618","","","","","","","","","","","","","","","","","","","","NCIMech_000618","","CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)NCCN(C)C","ISICVGZVKNWGIG-UHFFFAOYSA-N","353136",NA,"PDBC43642","600305","Present"
-"NCIMech_000619","","","","","","","","","","","","","","","","","","","","NCIMech_000619","","C1=CC=C(C(=C1)C(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O)O","UKONEOUGLCGSMG-UHFFFAOYSA-N","330958",NA,"PDBC43643","320864","Present"
-"NCIMech_000620","","","","","","","","","","","","","","","","","","","","NCIMech_000620","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)F)C(=O)C3=CC=NC=C3","GKQWVBRPLBCQTM-UHFFFAOYSA-N","359680",NA,"PDBC43644","621094","Present"
-"NCIMech_000665","","","","","","","","","","","","","","","","","","","","NCIMech_000665","","CN(C)CCCN1C2=CC=CC=C2SC3=C1C4=CC=CC=C4C=C3","VGMOECBHITYGPM-UHFFFAOYSA-N","227345",NA,"PDBC43645","18891","Present"
-"NCIMech_000673","","","","","","","","","","","","","","","","","","","","NCIMech_000673","","COC1=CC(=CC(=C1OC)OC)CC(=O)C2=CC3=C(C=C2C4=CC=CC=C4)OCO3","JSDRRPNJIFUHDD-UHFFFAOYSA-N","372796",NA,"PDBC43646","648419","Present"
-"NCIMech_000699","","","","","","","","","","","","","","","","","","","","NCIMech_000699","","C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]","SWTNGUJPNWBOQC-UHFFFAOYSA-N","391439",NA,"PDBC43647","690634","Present"
-"NCIMech_000701","","","","","","","","","","","","","","","","","","","","NCIMech_000701","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=C(C=C4)Cl","REOQQQOHISDZHG-UHFFFAOYSA-N","364770",NA,"PDBC43648","631529","Present"
-"NCIMech_000725","","","","","","","","","","","","","","","","","","","","NCIMech_000725","","CCCCOCC1=C2C=CC=NC2=C(C(=C1)CN3CCN(CC3)C)O","SOALJBSEAGNYKO-UHFFFAOYSA-N","227994",NA,"PDBC43649","20514","Present"
-"NCIMech_000745","","","","","","","","","","","","","","","","","","","","NCIMech_000745","","CN(C)CCCN1C2=C(C3=CC=CC=C3C=C2)SC4=C1C(=CC=C4)Cl","YQQOWRFAYJNTDF-UHFFFAOYSA-N","229969",NA,"PDBC43650","24113","Present"
-"NCIMech_000748","","","","","","","","","","","","","","","","","","","","NCIMech_000748","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC=C(C=C4)Br","LWRSTFFKJJJWLI-UHFFFAOYSA-N","376515",NA,"PDBC43651","657456","Present"
-"NCIMech_000766","","","","","","","","","","","","","","","","","","","","NCIMech_000766","","COC(=O)C1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43","JFFOWURHYJMMST-UHFFFAOYSA-N","369470",NA,"PDBC43652","641240","Present"
-"NCIMech_000783","","","","","","","","","","","","","","","","","","","","NCIMech_000783","","CC(C)(C(=O)N(C1=CC=CC=C1)C(=O)N2CCC(CC2)C3=CC=CC=C3)OC4=CC=C(C=C4)Cl","KFGOANCXXKAFRH-UHFFFAOYSA-N","391219",NA,"PDBC43653","690116","Present"
-"NCIMech_000792","","","","","","","","","","","","","","","","","","","","NCIMech_000792","","CC1=C(SC(=N1)C(=S)N)C(=O)CC(=O)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C","BRXAGMFXJUMMRM-UHFFFAOYSA-N","3004282",NA,"PDBC43654","642048","Present"
-"NCIMech_000794","","","","","","","","","","","","","","","","","","","","NCIMech_000794","","C(C(=O)CC(C(F)(F)F)(C(F)(F)Cl)O)C(C(F)(F)F)(C(F)(F)Cl)O","HYRVFUYATWPFFE-UHFFFAOYSA-N","59095",NA,"PDBC43655","659174","Present"
-"NCIMech_000796","","","","","","","","","","","","","","","","","","","","NCIMech_000796","","C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC=C(C=C4)Cl","CITLSTZRNQPUSX-UHFFFAOYSA-N","369483",NA,"PDBC43656","641253","Present"
-"NCIMech_000850","","","","","","","","","","","","","","","","","","","","NCIMech_000850","","C1CS(=O)(=O)CCN1C2=CC=CC=C2CC(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65","GGRMGYJJBCRHKM-UHFFFAOYSA-N","235012",NA,"PDBC43657","35949","Present"
-"NCIMech_000856","","","","","","","","","","","","","","","","","","","","NCIMech_000856","","C1=CC=C2C(=C1)C(=O)C(C2=O)C(C3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-]","IMSFIAWRQCLBNS-UHFFFAOYSA-N","370293",NA,"PDBC43658","643148","Present"
-"NCIMech_000872","","","","","","","","","","","","","","","","","","","","NCIMech_000872","","CN(CCC1=CC=CC=N1)C2=CC3=C(C=C2)C4=CC=CC=C4C3=O.I","CADPUVKBTUPMHN-UHFFFAOYSA-N","5351149",NA,"PDBC43659","24048","Present"
-"NCS-665564","","","","","","","","","","","","","","","","","","","","NCS-665564","","CC(=O)N1CCC2=C(C1C3=CC=CC=C3)NC4=C2C=C(C=C4)Br","CBMFCUHTQKAALP-UHFFFAOYSA-N","380161",NA,"PDBC43660","665564","Present"
-"ND-9807","","","","","","","","","","","","","","","","","","","","ND-9807","","CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","IXCOKHNAXJKOAZ-UHFFFAOYSA-N","363243",NA,"PDBC43661","627989","Present"
-"NDTKZJMWHPUVQG-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","NDTKZJMWHPUVQG-UHFFFAOYSA-N","","C1=CC(=CC=C1C2=NNC(=O)N2)[N+](=O)[O-]","NDTKZJMWHPUVQG-UHFFFAOYSA-N","135484992",NA,"PDBC43662","678394","Present"
-"NE11620","","","","","","","","","","","","","","","","","","","","NE11620","","CC1=CC(=O)N2C(=N1)SC(=N2)CCl","NZAXHQJYIYHPFL-UHFFFAOYSA-N","385795",NA,"PDBC43663","677189","Present"
-"NE12264","","","","","","","","","","","","","","","","","","","","NE12264","","CC1=C(C=C(C=C1)NC2=NNC(=S)S2)C","RNCSODFVQZANEB-UHFFFAOYSA-N","2380517",NA,"PDBC43664","157322","Present"
-"NE20656","","","","","","","","","","","","","","","","","","","","NE20656","","CCOC(=O)C(=O)C1C2=CC=CC=C2NC1=O","UXGCSFRJKPEYBN-UHFFFAOYSA-N","372101",NA,"PDBC43665","646976","Present"
-"NE26007","","","","","","","","","","","","","","","","","","","","NE26007","","C1CC2CNC3=CC=CC=C3CN2C1","QZLFCLRNSOXWFA-UHFFFAOYSA-N","386459",NA,"PDBC43666","678488","Present"
-"NE30261","","","","","","","","","","","","","","","","","","","","NE30261","","C1=CC(=CC=C1OCC2=NC(=S)NN2)Cl","OIAHIKHIYQWBHQ-UHFFFAOYSA-N","1550076",NA,"PDBC43667","625837","Present"
-"NE34394","","","","","","","","","","","","","","","","","","","","NE34394","","CN1C2=C(C(=O)C=C(N2)N)C(=O)N(C1=O)C","QYKJAKMJYFUJKK-UHFFFAOYSA-N","389793",NA,"PDBC43668","686397","Present"
-"NE34510","","","","","","","","","","","","","","","","","","","","NE34510","","CC(=O)C(CN1C(=O)C2=CC=CC=C2C1=O)C(=O)C","XIMLYUAJDIUXCV-UHFFFAOYSA-N","373268",NA,"PDBC43669","649421","Present"
-"NE54743","","","","","","","","","","","","","","","","","","","","NE54743","","CC1=C(SC2=C1C(=O)OC(=O)N2)C","GZENPAIGBVRRTH-UHFFFAOYSA-N","384429",NA,"PDBC43670","674206","Present"
-"NE55072","","","","","","","","","","","","","","","","","","","","NE55072","","C1CC2=C(NC1)N=CNC2=O","YJIRCOHLVHBXAK-UHFFFAOYSA-N","135408955",NA,"PDBC43671","649162","Present"
-"NEBYRAXMNWNRMO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","NEBYRAXMNWNRMO-UHFFFAOYSA-N","","CC(C)(C)OC(=O)NC(CC1=C(C=C(C=C1)OC)O)C(=O)OC","NEBYRAXMNWNRMO-UHFFFAOYSA-N","397418",NA,"PDBC43672","705164","Present"
-"NI-72","","","","","","","","","","","","","","","","","","","","NI-72","","CC1=C(C(=C(C(=N1)C)N=O)C2=CC=CC=C2C(F)(F)F)C(=O)OC","VRENOHNRRMYDOZ-UHFFFAOYSA-N","382125",NA,"PDBC43673","669518","Present"
-"NIMBOLIDE","","","","","","","","","","","","","","","","","","","","NIMBOLIDE","","CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(C=CC5=O)C)C)CC(=O)OC)C","JZIQWNPPBKFOPT-UHFFFAOYSA-N","100017",NA,"PDBC43674","309909","Present"
-"NIOSH/DH2521700","","","","","","","","","","","","","","","","","","","","NIOSH/DH2521700","","CN(CO)N=NC1=CC=C(C=C1)C(=O)OC","BLAFWWCVPZFQTO-UHFFFAOYSA-N","101208",NA,"PDBC43675","382779","Present"
-"NIOSH/GD7214800","","","","","","","","","","","","","","","","","","","","NIOSH/GD7214800","","C1=CC=C(C(=C1)C=C(C#N)C(=O)N)O","ASUZMZDJWZMTJV-VMPITWQZSA-N","736630",NA,"PDBC43676","638072","Present"
-"NIOSH/GY7277500","","","","","","","","","","","","","","","","","","","","NIOSH/GY7277500","","CC1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C","VAAQGIJITBVELH-UHFFFAOYSA-N","223673",NA,"PDBC43677","11511","Present"
-"NIOSH/MI7030000","","","","","","","","","","","","","","","","","","","","NIOSH/MI7030000","","CCCCCC(C=NNC(=S)N)C(C(F)(F)F)(C(F)(F)F)O","GKGNUCJQSXGTOC-KPSZGOFPSA-N","9571419",NA,"PDBC43678","659214","Present"
-"NIOSH/VD1581000","","","","","","","","","","","","","","","","","","","","NIOSH/VD1581000","","CN(C)CCNC(=O)C1=C2C(=CC=C1)N=CC(=N2)C3=CC=CC=C3.Cl","PDYUAERORXUVHK-UHFFFAOYSA-N","358088",NA,"PDBC43679","617937","Present"
-"NITP","","","","","","","","","","","","","","","","","","","","NITP","","CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3C=CN=C3[N+](=O)[O-]","WMZHJZFCFREAFU-UHFFFAOYSA-N","132022",NA,"PDBC43680","656834","Present"
-"NIVEUSIN A","","","","","","","","","","","","","","","","","","","","NIVEUSIN A","","CC=C(C)C(=O)OC1CC2(C(CC(O2)(C(=CC3C1C(=C)C(=O)O3)CO)O)O)C","LJFIVFJQZWRSAJ-LGPPMJGUSA-N","5477575",NA,"PDBC43681","331121","Present"
-"NIl","","","","","","","","","","","","","","","","","","","","NIl","","COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","YJIBEUNUCJFWST-VABKMULXSA-N","155805079",NA,"PDBC43682","761448","Present"
-"NJMWXCOSLAUOGE-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","NJMWXCOSLAUOGE-UHFFFAOYSA-N","","CN1CCCN2CCN(CCCN(CC1)CC2)C","NJMWXCOSLAUOGE-UHFFFAOYSA-N","372702",NA,"PDBC43683","648262","Present"
-"NKLB","","","","","","","","","","","","","","","","","","","","NKLB","","","","",NA,"PDBC43684","645205","Present"
-"NLCQ-1 HCl","","","","","","","","","","","","","","","","","","","","Quinoline, 7-chloro-4-[3-(2-nitroimidazolyl)propylamino]...","","C1=CC2=C(C=CN=C2C=C1Cl)NCCCN3C=CN=C3[N+](=O)[O-].Cl","LWTUZIMLIKOKDI-UHFFFAOYSA-N","398939",NA,"PDBC43685","709257","Present"
-"NO Data IN this field","","","","","","","","","","","","","","","","","","","","NO DATA IN THIS FIELD","","CC1CCC(C(C1)OC2C(CC(=O)O2)SC3=CC=CC=C3)C(C)C","XGLWGCATXFVQIR-NUUCADPSSA-N","6711510",NA,"PDBC43686","629500","Present"
-"NO2A(tBu)","","","","","","","","","","","","","","","","","","","","NO2A(tBu)","","CC(C)(C)OC(=O)CN1CCNCCN(CC1)CC(=O)OC(C)(C)C","KAGBCHRKKXTZOY-UHFFFAOYSA-N","393902",NA,"PDBC43687","696863","Present"
-"NOCAS_874808","","","","","","","","","","","","","","","","","","","","NOCAS_874808","","C1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3CC(CSCCO)O","ACCBGMZOEFJHJZ-UHFFFAOYSA-N","135489860",NA,"PDBC43688","685820","Present"
-"NOCAS_875064","","","","","","","","","","","","","","","","","","","","NOCAS_875064","","CC(=O)NC(CCCNC(=O)N(CC#C)N=O)C(=O)NCC1=CC=CC=C1","IEQNIIIWMFKPLR-UHFFFAOYSA-N","371363",NA,"PDBC43689","645583","Present"
-"NOCAS_875167","","","","","","","","","","","","","","","","","","","","NOCAS_875167","","CC(=O)NC(CCCCNC(=O)N(CC#C)N=O)C(=O)NCC1=CC=CC=C1","WKIQCAOTGDUJJJ-UHFFFAOYSA-N","371365",NA,"PDBC43690","645585","Present"
-"NOCAS_875344","","","","","","","","","","","","","","","","","","","","NOCAS_875344","","CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCC=C","AYHZQBPVKXLWAZ-UHFFFAOYSA-N","370684",NA,"PDBC43691","644071","Present"
-"NOCAS_875531","","","","","","","","","","","","","","","","","","","","NOCAS_875531","","CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)NCC=C)C(=O)NCC2=CC=CC=C2","JXNKMYSKOOGGAH-UHFFFAOYSA-N","370685",NA,"PDBC43692","644072","Present"
-"NOCAS_876291","","","","","","","","","","","","","","","","","","","","NOCAS_876291","","CC1=NC2=CC=CC=C2C(=O)N1CC(=O)O","NIRPYXSTQBPOLJ-UHFFFAOYSA-N","361912",NA,"PDBC43693","625330","Present"
-"NOCAS_877054","","","","","","","","","","","","","","","","","","","","NOCAS_877054","","CC1=CC2=C(C3=CC=CC=C3C2=O)N=N1","STADVKHJCBJICA-UHFFFAOYSA-N","379341",NA,"PDBC43694","663887","Present"
-"NOCAS_879244","","","","","","","","","","","","","","","","","","","","NOCAS_879244","","C1COCCN1CC2CN=C(O2)N","YCRRUOJUYLAPSS-UHFFFAOYSA-N","387533",NA,"PDBC43695","681443","Present"
-"NOCAS_879728","","","","","","","","","","","","","","","","","","","","NOCAS_879728","","CS(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)N","BNULMKWKKIYHKP-UHFFFAOYSA-N","364533",NA,"PDBC43696","630955","Present"
-"NOHFHPIPRSKJQF-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","NOHFHPIPRSKJQF-UHFFFAOYSA-N","","CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)CN(C)C","NOHFHPIPRSKJQF-UHFFFAOYSA-N","334509",NA,"PDBC43697","339908","Present"
-"NOR 1E11","","","","","","","","","","","","","","","","","","","","NOR 1E11","","","","",NA,"PDBC43698","636195","Present"
-"NOR 1G9","","","","","","","","","","","","","","","","","","","","NOR 1G9","","","","",NA,"PDBC43699","636196","Present"
-"NOR 5H10","","","","","","","","","","","","","","","","","","","","NOR 5H10","","","","",NA,"PDBC43700","636194","Present"
-"NPD700","","","","","","","","","","","","","","","","","","","","NPD700","","COC1=CC=C(C=C1)NC2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)NC2=O","YTIARIJWCIYGIC-UHFFFAOYSA-N","1973944",NA,"PDBC43701","744093","Present"
-"NSC 364573 (formerly)","","","","","","","","","","","","","","","","","","","","NSC363979","","CC1C2CC=C3C2(COC14C(CC(O4)(C)C)O)C(=O)CC5C3CCC6C5(CC7=NC8=C(CC9(C(C8)CCC1C9CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)C)N=C7C6)C","HHBSFXFIMWLBAI-JOQJRFOHSA-N","6711239",NA,"PDBC43702","363979","Present"
-"NSC 701656 incorporated in micelles, 0.73% (w/w) of drug.","","","","","","","","","","","","","","","","","","","","NSC 701656 incorporated in micelles, 0.73% (w/w) of drug.","","","","",NA,"PDBC43703","727982","Present"
-"NSC 701657 incorporated in micelles, 0.25% (w/w) of drug","","","","","","","","","","","","","","","","","","","","NSC 701657 incorporated in micelles, 0.25% (w/w) of drug","","","","",NA,"PDBC43704","727983","Present"
-"NSC 701659 incorporated in micelles, 0.28% (w/w) of drug","","","","","","","","","","","","","","","","","","","","NSC 701659 incorporated in micelles, 0.28% (w/w) of drug","","","","",NA,"PDBC43705","727984","Present"
-"NSC 708781 incorporated in micelles, 0.55% (w/w) of drug","","","","","","","","","","","","","","","","","","","","NSC 708781 incorporated in micelles, 0.55% (w/w) of drug","","","","",NA,"PDBC43706","727985","Present"
-"NSC 708782 incorporated in micelles, 0.45% (w/w) of drug","","","","","","","","","","","","","","","","","","","","NSC 708782 incorporated in micelles, 0.45% (w/w) of drug","","","","",NA,"PDBC43707","727986","Present"
-"NSC 708783 incorporated in micelles, 0.20% (w/w) of drug","","","","","","","","","","","","","","","","","","","","NSC 708783 incorporated in micelles, 0.20% (w/w) of drug","","","","",NA,"PDBC43708","727987","Present"
-"NSC 708788 incorporated in micelles, 0.20% (w/w) of drug","","","","","","","","","","","","","","","","","","","","NSC 708788 incorporated in micelles, 0.20% (w/w) of drug","","","","",NA,"PDBC43709","727988","Present"
-"NSC100215","","","","","","","","","","","","","","","","","","","","NSC100215","","CN1CCCCCC(=NO)C(=NO)CCCCC1","FRTSXIXTWLTUNW-QUMQEAAQSA-N","135509535",NA,"PDBC43710","100215","Present"
-"NSC100856","","","","","","","","","","","","","","","","","","","","NSC100856","","C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)CCCOC3=CC=C(C=C3)N.Cl","NJMALKNJKHHOEX-UHFFFAOYSA-N","135534544",NA,"PDBC43711","100856","Present"
-"NSC100857","","","","","","","","","","","","","","","","","","","","NSC100857","","C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)CCCN.Cl","BOGRQNNJHMKIIM-UHFFFAOYSA-N","135534545",NA,"PDBC43712","100857","Present"
-"NSC101331","","","","","","","","","","","","","","","","","","","","NSC101331","","C[N+](C)(C)N=CC1=C(C(=CC=C1)OC)O.[I-]","PHMMIRBOYRGFMD-UHFFFAOYSA-N","135534546",NA,"PDBC43713","101331","Present"
-"NSC101751","","","","","","","","","","","","","","","","","","","","NSC101751","","C1=CC=C2C(=C1)C(=O)N(C2=O)OCCSC(=N)N.Br","WCCASMCHYKEXQM-UHFFFAOYSA-N","45046856",NA,"PDBC43714","101751","Present"
-"NSC103704","","","","","","","","","","","","","","","","","","","","NSC103704","","C1C(C(OC1N2C=C(C(=O)NC2=O)F)C(=O)O)O","OHKLEIJCOJXRTB-UHFFFAOYSA-N","266285",NA,"PDBC43715","103704","Present"
-"NSC103755","","","","","","","","","","","","","","","","","","","","NSC103755","","C[N+]1=CC2=C(C(C=CC2=C3C1C4=CC5=C(C=C4C3)OCO5)OC)OC.[N+](=O)(O)O","PNFCEMYHZPQPKJ-UHFFFAOYSA-N","6332495",NA,"PDBC43716","103755","Present"
-"NSC105017","","","","","","","","","","","","","","","","","","","","NSC105017","","C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CN)O","WUGWUQVMPOHXKQ-UHFFFAOYSA-N","266548",NA,"PDBC43717","105017","Present"
-"NSC10535","","","","","","","","","","","","","","","","","","","","NSC10535","","CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C)C.[I-]","YKPDGXDEWCJITP-UHFFFAOYSA-M","10159899",NA,"PDBC43718","10535","Present"
-"NSC109156","","","","","","","","","","","","","","","","","","","","NSC109156","","CC(C)(C)NCC(=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2","PYGLETLOMHWMRC-NBVRZTHBSA-N","5475881",NA,"PDBC43719","109156","Present"
-"NSC109834","","","","","","","","","","","","","","","","","","","","NSC109834","","CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC(=CC=C3)N)N)N)C.Cl","BIWSHDRDLZSARM-UHFFFAOYSA-N","54609913",NA,"PDBC43720","109834","Present"
-"NSC109836","","","","","","","","","","","","","","","","","","","","NSC109836","","CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])N)N)C.[Cl-]","UFVBNMPWZZKLTJ-UHFFFAOYSA-M","5351956",NA,"PDBC43721","109836","Present"
-"NSC11051","","","","","","","","","","","","","","","","","","","","NSC11051","","CCCCN(CCCC)CCCCNC1=C2C=CC(=CC2=NC=C1C)Cl.OP(=O)(O)O","VPACWEWGZOFIKG-UHFFFAOYSA-N","22210396",NA,"PDBC43722","11051","Present"
-"NSC111062","","","","","","","","","","","","","","","","","","","","NSC111062","","CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCOC3=CC=CC(=C3)[N+](=O)[O-])N)N)C.[Cl-]","FMDFBSWOJHAVCI-UHFFFAOYSA-M","24190581",NA,"PDBC43723","111062","Present"
-"NSC112671","","","","","","","","","","","","","","","","","","","","NSC112671","","CC(=O)OC12CC[N+]3(CCCCC3C1=NC4=CC=CC=C24)C.[I-]","FFDFTXGLWKTRSO-UHFFFAOYSA-M","5351962",NA,"PDBC43724","112671","Present"
-"NSC113237","","","","","","","","","","","","","","","","","","","","NSC113237","","CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)C(CC6=CC=CC=C6)N)OC)OC)OC)OC.OCl(=O)(=O)=O","FNYGLGMODKPRAW-UHFFFAOYSA-N","54606151",NA,"PDBC43725","113237","Present"
-"NSC114696","","","","","","","","","","","","","","","","","","","","NSC114696","","","","",NA,"PDBC43726","114696","Present"
-"NSC115527","","","","","","","","","","","","","","","","","","","","NSC115527","","CCOC(=O)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C","JFRVIXNRVMZXFB-UHFFFAOYSA-N","5351036",NA,"PDBC43727","115527","Present"
-"NSC116661","","","","","","","","","","","","","","","","","","","","NSC116661","","","","",NA,"PDBC43728","116661","Present"
-"NSC117274","","","","","","","","","","","","","","","","","","","","NSC117274","","C1=CC=C(C=C1)CCC(C2=C(C3=CC=CC=C3C(=O)C2=O)O)C4=C(C5=CC=CC=C5C(=O)C4=O)O","KEKWBWHWPBTIKC-UHFFFAOYSA-N","272651",NA,"PDBC43729","117274","Present"
-"NSC117470","","","","","","","","","","","","","","","","","","","","NSC117470","","C1CSC(N1)C(C(=O)O)N2CC3=CC=CC=C3C2.Cl","ZDUOLBGFAWWUTM-UHFFFAOYSA-N","24190977",NA,"PDBC43730","117470","Present"
-"NSC117672","","","","","","","","","","","","","","","","","","","","NSC117672","","C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)N","VENIPBHVOLIRGW-UHFFFAOYSA-N","419743",NA,"PDBC43731","117672","Present"
-"NSC118087","","","","","","","","","","","","","","","","","","","","NSC118087","","","","",NA,"PDBC43732","118087","Present"
-"NSC11863","","","","","","","","","","","","","","","","","","","","NSC11863","","C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=CC=C3","ATKADZVINWFQOE-SOFGYWHQSA-N","5354492",NA,"PDBC43733","11863","Present"
-"NSC120015","","","","","","","","","","","","","","","","","","","","NSC120015","","C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl","RFSUKZRGDWYDSW-UHFFFAOYSA-N","274167",NA,"PDBC43734","120015","Present"
-"NSC120686","","","","","","","","","","","","","","","","","","","","NSC120686","","C1=CC=C2C(=C1)C3=CC=CC=C3C2=NN=CC4=C(C=CC=C4Cl)F","GDDPFPHCLQALSU-FMCGGJTJSA-N","5458227",NA,"PDBC43735","120686","Present"
-"NSC121849","","","","","","","","","","","","","","","","","","","","NSC121849","","C[N+]12CCC34C1(CC5C6C3N(C(=O)CC6OCC=C5C2)C7=CC(=C(C=C47)OC)OC)[O-]","NYFQSWAZVNEMIH-UHFFFAOYSA-N","5351990",NA,"PDBC43736","121849","Present"
-"NSC122400","","","","","","","","","","","","","","","","","","","","NSC122400","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=NC=C1","CTCVSQWKASZIQY-QFHYWFJHSA-N","54600128",NA,"PDBC43737","122400","Present"
-"NSC122621","","","","","","","","","","","","","","","","","","","","NSC122621","","C(CSCCN)C(=O)O.Cl","XJOTYSUHUBTDQM-UHFFFAOYSA-N","24191487",NA,"PDBC43738","122621","Present"
-"NSC123303","","","","","","","","","","","","","","","","","","","","NSC123303","","CC1CCCC(C1=O)C(=O)CC2CC(=O)NC(=O)C2","WPKVQFQGIZDUHC-UHFFFAOYSA-N","241176",NA,"PDBC43739","123303","Present"
-"NSC123420","","","","","","","","","","","","","","","","","","","","NSC123420","","C1CN2CC3=CCOC4CC(=O)NC5C4C3CC2C51C(=CC(=O)O)C(=O)O.Br","IHJBBXWIZOQKEJ-AVHZNCSWSA-N","54600135",NA,"PDBC43740","123420","Present"
-"NSC12492","","","","","","","","","","","","","","","","","","","","NSC12492","","C1=CC(=C(C=C1NC2=C3C=CC(=CC3=NC=C2)Cl)O)C(=O)O.Cl","FZDGKIVSGFLEJV-UHFFFAOYSA-N","24181904",NA,"PDBC43741","12492","Present"
-"NSC126728","","","","","","","","","","","","","","","","","","","","NSC126728","","C.CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)COC(=O)C1O)C)CO4","UYMAFCXKKGDQQU-VBRYSZMJSA-N","54612340",NA,"PDBC43742","126728","Present"
-"NSC127494","","","","","","","","","","","","","","","","","","","","NSC127494","","CC1=C(C(=CC=C1)C(=O)O)CC2C3C(CCN2)C4=CC=CC=C4N3.Cl","ZXLRESFPKQVMJI-UHFFFAOYSA-N","24191772",NA,"PDBC43743","127494","Present"
-"NSC127710","","","","","","","","","","","","","","","","","","","","NSC127710","","CC1CCC(=O)C(C1)C(=O)CC2CC(=O)NC(=O)C2","SAYOWBIQEVZZDW-UHFFFAOYSA-N","234330",NA,"PDBC43744","127710","Present"
-"NSC127917","","","","","","","","","","","","","","","","","","","","NSC127917","","C1=CC(=CC=C1C(=O)O)NCC2=NC3=NC(=NC(=C3N2)N)N","WEAIDDOLGAIXED-UHFFFAOYSA-N","3246450",NA,"PDBC43745","127917","Present"
-"NSC129748","","","","","","","","","","","","","","","","","","","","NSC129748","","","","",NA,"PDBC43746","129748","Present"
-"NSC129790","","","","","","","","","","","","","","","","","","","","NSC129790","","CC(CN1CCN(CC1)CC(C)NC2=C3C=CC(=CC3=NC=C2)Cl)NC4=C5C=CC(=CC5=NC=C4)Cl","FIERVDLXKNFTPK-UHFFFAOYSA-N","31776",NA,"PDBC43747","129790","Present"
-"NSC130843","","","","","","","","","","","","","","","","","","","","NSC130843","","CN1C2=C(N=C1NCCN(C)C)N(C(=O)N(C2=O)C)C.Cl","WPSBGTILXSYPSF-UHFFFAOYSA-N","24191973",NA,"PDBC43748","130843","Present"
-"NSC130876","","","","","","","","","","","","","","","","","","","","NSC130876","","CC(=O)NC1=C2C=CC=NC2=C(C(=C1)CN3CCCCC3)O","KCCMIWWVDARKLM-UHFFFAOYSA-N","279612",NA,"PDBC43749","130876","Present"
-"NSC130915","","","","","","","","","","","","","","","","","","","","NSC130915","","CN(C)CC(CN(C)C)C1=CC=CC=N1.Cl","BBEVTWIDSQFUAA-UHFFFAOYSA-N","5351754",NA,"PDBC43750","130915","Present"
-"NSC132483","","","","","","","","","","","","","","","","","","","","NSC132483","","CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C=C3)Cl)C(=O)NC(CC(=O)O)C(=O)O","SGUMXALIXOMJSH-UHFFFAOYSA-N","421299",NA,"PDBC43751","132483","Present"
-"NSC13305","","","","","","","","","","","","","","","","","","","","NSC13305","","CN(C)C1=CC=C(C=C1)C(CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4","GLMXUQDALJFHPN-UHFFFAOYSA-N","224640",NA,"PDBC43752","13305","Present"
-"NSC133497","","","","","","","","","","","","","","","","","","","","NSC133497","","CC1=CC(=C(C(=C1)C)C(=O)OC(C2=CC=CC=C2)C(C3=CC=CC=C3)N4CCOCC4)C","LZSRHPZGZOQOMC-UHFFFAOYSA-N","281022",NA,"PDBC43753","133497","Present"
-"NSC13378","","","","","","","","","","","","","","","","","","","","NSC13378","","COC1=CC(=C2C(=C1)C=CC=N2)NCCC3CCCCN3.Cl","HLBANNCDFAOYKN-UHFFFAOYSA-N","54611715",NA,"PDBC43754","13378","Present"
-"NSC134033","","","","","","","","","","","","","","","","","","","","NSC134033","","C1=CC2=C(C=C1CNC3=CC(=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O)Cl)C(=NC(=N2)N)N","CEUFDEOPWBBLCY-UHFFFAOYSA-N","421455",NA,"PDBC43755","134033","Present"
-"NSC134755","","","","","","","","","","","","","","","","","","","","NSC134755","","CCC1=C(CC2C3=CC=CC=C3CCN2C1)CC4C5=CC(=C(C=C5CCN4)OC)OC.Br","ZAPKYOAWZGRSFK-UHFFFAOYSA-N","54606480",NA,"PDBC43756","134755","Present"
-"NSC134759","","","","","","","","","","","","","","","","","","","","NSC134759","","COC1=C(C=C2C(NCCC2=C1)CC3=C(CN4CCC5=CC(=C(C=C5C4C3)OC)OC)C6=CC=CC=C6)OC.Cl","UOPCMLMEDAMFQE-UHFFFAOYSA-N","54606481",NA,"PDBC43757","134759","Present"
-"NSC13480","","","","","","","","","","","","","","","","","","","","NSC13480","","C1CCNC(C1)C(C2=CC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)O.Cl","ZAWPIWUEZXQBGS-UHFFFAOYSA-N","54598468",NA,"PDBC43758","13480","Present"
-"NSC135983","","","","","","","","","","","","","","","","","","","","NSC135983","","C1CN(CC2=CC=CC=C21)C3=NCCO3.Br","QOXKLTLEEPHTGF-UHFFFAOYSA-N","24192268",NA,"PDBC43759","135983","Present"
-"NSC13611","","","","","","","","","","","","","","","","","","","","NSC13611","","CN(C)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)OC.Cl","MNXIETTXPWTUPP-UHFFFAOYSA-N","54605075",NA,"PDBC43760","13611","Present"
-"NSC136475","","","","","","","","","","","","","","","","","","","","NSC136475","","COC1=CC=C(C=C1)C(=CC2=CC(=C(C=C2)OC)OC)C#N","XUPZQTOIODRVQV-XNTDXEJSSA-N","5388793",NA,"PDBC43761","136475","Present"
-"NSC13713","","","","","","","","","","","","","","","","","","","","NSC13713","","CCN(CC)CCCNC1=CC(=C(C2=C1N=CC=C2)OC)OC.I","NKZHTQBFHWHERX-UHFFFAOYSA-N","24182106",NA,"PDBC43762","13713","Present"
-"NSC13728","","","","","","","","","","","","","","","","","","","","NSC13728","","CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)N5CCCCC5)N6CCCCC6.Cl","YHTRXCZTLUBYMC-UHFFFAOYSA-N","54599920",NA,"PDBC43763","13728","Present"
-"NSC138617","","","","","","","","","","","","","","","","","","","","NSC138617","","CC(C)C(=N[N+](C)(C)C)C1=CC=CC=C1.[I-]","JTILJZCFRLRRBT-IERUDJENSA-M","5458286",NA,"PDBC43764","138617","Present"
-"NSC14078","","","","","","","","","","","","","","","","","","","","NSC14078","","CCN(CC)CCSCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl","AKDHXQZNQGPYFE-UHFFFAOYSA-N","24182054",NA,"PDBC43765","14078","Present"
-"NSC141566","","","","","","","","","","","","","","","","","","","","NSC141566","","C1C2=CC3=CC=CC=C3N=C2C(N1)CC(=O)O.Br","IFAULRFUXYWQKT-UHFFFAOYSA-N","24192636",NA,"PDBC43766","141566","Present"
-"NSC143125","","","","","","","","","","","","","","","","","","","","NSC143125","","C1=C(N=C(S1)CCN)C2=NC(=CS2)C(=O)O.Cl","YDNCNQIUICMEIG-UHFFFAOYSA-N","24192750",NA,"PDBC43767","143125","Present"
-"NSC143677","","","","","","","","","","","","","","","","","","","","NSC143677","","C1=CC=C2C(=C1)C=CC=C2C(=CC3=CC=NC=C3)C(=O)O","ZKEHLZUJSOVCAW-ATVHPVEESA-N","5771631",NA,"PDBC43768","143677","Present"
-"NSC144126","","","","","","","","","","","","","","","","","","","","NSC144126","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NNC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C","LMOXLBKHYDMUGS-XIGVHWRISA-N","135534701",NA,"PDBC43769","144126","Present"
-"NSC144128","","","","","","","","","","","","","","","","","","","","NSC144128","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN(C5=CC=CC=C5)C6=CC=CC=C6)C","DHCPFFIUSWILHF-DMIMNQOMSA-N","135534703",NA,"PDBC43770","144128","Present"
-"NSC144694","","","","","","","","","","","","","","","","","","","","NSC144694","","C1=CC=C2C(=C1)C=CC=C2C(=CC3=CC=NC=C3)C(=O)N","OZICVIHHJDBMNI-ATVHPVEESA-N","5771632",NA,"PDBC43771","144694","Present"
-"NSC144698","","","","","","","","","","","","","","","","","","","","NSC144698","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(F)(F)F","ZHVNNTSMRZRPNO-UHFFFAOYSA-N","286483",NA,"PDBC43772","144698","Present"
-"NSC14500","","","","","","","","","","","","","","","","","","","","NSC14500","","C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N=C(N)N=C(N)NC4=CC=C(C=C4)Br.Cl","PXYFCARFLUTPBR-UHFFFAOYSA-N","54599927",NA,"PDBC43773","14500","Present"
-"NSC14555","","","","","","","","","","","","","","","","","","","","NSC14555","","CN(C)CSC(=NC(C(Cl)(Cl)Cl)O)N","IUBAAKNJVPIKBE-UHFFFAOYSA-N","5458310",NA,"PDBC43774","14555","Present"
-"NSC145612","","","","","","","","","","","","","","","","","","","","NSC145612","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN(C)C)C","MLCFJDJPAIZRMR-NLRJTBANSA-N","24192962",NA,"PDBC43775","145612","Present"
-"NSC146865","","","","","","","","","","","","","","","","","","","","NSC146865","","CC(=NOC(=O)C)C1=CC2=CC(=C(C=C2C=C1)OC)OC","RSSSRJQHWMETGQ-LICLKQGHSA-N","5382602",NA,"PDBC43776","146865","Present"
-"NSC14711","","","","","","","","","","","","","","","","","","","","NSC14711","","COC1=CC(=CC2=C1OC(=O)C(=C2)C(=O)O)CN3CCCCC3.Cl","WLTCCKHFNUGUTQ-UHFFFAOYSA-N","54605111",NA,"PDBC43777","14711","Present"
-"NSC148077","","","","","","","","","","","","","","","","","","","","NSC148077","","","","",NA,"PDBC43778","148077","Present"
-"NSC150117","","","","","","","","","","","","","","","","","","","","NSC150117","","C1CCC(CC1)NC2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C4.Cl","JPATUDRDKCLPTI-CRDKNBMZSA-N","20831631",NA,"PDBC43779","150117","Present"
-"NSC150290","","","","","","","","","","","","","","","","","","","","NSC150290","","C1=CC=C2C(=C1)C(=CC=N2)C=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","MDPNIEWCQQIJPW-YFHOEESVSA-N","54604059",NA,"PDBC43780","150290","Present"
-"NSC151176","","","","","","","","","","","","","","","","","","","","NSC151176","","C1=CC(=C(C=C1NC(=O)NC2=C(C=CC(=C2S(=O)(=O)O)Cl)OC3=CC(=C(C=C3)Cl)Cl)Cl)Cl.[Na+]","ZRHXHEDVQGPEIO-UHFFFAOYSA-N","24193358",NA,"PDBC43781","151176","Present"
-"NSC15181","","","","","","","","","","","","","","","","","","","","NSC15181","","CC1=C(C(=C(C=C1)C2(CCN(CC2)C)C3=C(C(=C(C=C3)C)O)C)C)O.Cl","GZVBBVCHVDDQJW-UHFFFAOYSA-N","54605123",NA,"PDBC43782","15181","Present"
-"NSC152686","","","","","","","","","","","","","","","","","","","","NSC152686","","CC(C1=CC2=CC(=C(C=C2C=C1)OC)OC)NCC#N.Cl","LUPWJGISTRDYDE-UHFFFAOYSA-N","24193501",NA,"PDBC43783","152686","Present"
-"NSC153582","","","","","","","","","","","","","","","","","","","","NSC153582","","","","",NA,"PDBC43784","153582","Present"
-"NSC15520","","","","","","","","","","","","","","","","","","","","NSC15520","","CC(C)C1=CC23CCC4C(C2CC1C(C3C(=O)O)C(=O)O)(CCCC4(C)C(=O)O)C.[Na+]","FIOIJEBPJMBSOJ-UHFFFAOYSA-N","24182312",NA,"PDBC43785","15520","Present"
-"NSC156130","","","","","","","","","","","","","","","","","","","","NSC156130","","CC1=CCCC2=CC(CC(=CC3C(CC1)C(=C)C(=O)O3)C)OC2=O","KTYZKXFERQUCPX-SXPDDEAFSA-N","5358704",NA,"PDBC43786","156130","Present"
-"NSC15623","","","","","","","","","","","","","","","","","","","","NSC15623","","CC1=CC=C(C=C1)[Sb]2OC(C(O2)C(C(C(=O)O)O)O)CO.O.O.[Na+]","SSACIEQDIYHSGW-UHFFFAOYSA-N","24182342",NA,"PDBC43787","15623","Present"
-"NSC156265","","","","","","","","","","","","","","","","","","","","NSC156265","","CN1CCC2(CC1)SC3(CCN(CC3)C)SS2.Cl","PSBXRQGQJAWDEQ-UHFFFAOYSA-N","54610473",NA,"PDBC43788","156265","Present"
-"NSC159954","","","","","","","","","","","","","","","","","","","","NSC159954","","CN=C(NC1=CC=C(C2=CC=CC=C21)OC)SC.I","UCFZSWAOEYTZKP-UHFFFAOYSA-N","24193898",NA,"PDBC43789","159954","Present"
-"NSC160054","","","","","","","","","","","","","","","","","","","","NSC160054","","C1=CSC(=C1)C(=NO)CC(C(F)(F)F)(C(F)(F)F)O","ITGUSLGHWMHJRN-FZSIALSZSA-N","5362284",NA,"PDBC43790","160054","Present"
-"NSC16087","","","","","","","","","","","","","","","","","","","","NSC16087","","CC1=C(C=CC(=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)O.[Ca+2]","XWYMTZGVMHZAGI-UHFFFAOYSA-N","135421844",NA,"PDBC43791","16087","Present"
-"NSC162404","","","","","","","","","","","","","","","","","","","","NSC162404","","CC1=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N)OC1=O.Cl","YFDJJMGKEZXWRV-UHFFFAOYSA-N","24193971",NA,"PDBC43792","162404","Present"
-"NSC163865","","","","","","","","","","","","","","","","","","","","NSC163865","","C1CC(CN(C1)CC2=CC=CC=C2C(=O)O)C(=O)O.[Ba+2]","ILJZNPFPASCGBL-UHFFFAOYSA-N","54606768",NA,"PDBC43793","163865","Present"
-"NSC16685","","","","","","","","","","","","","","","","","","","","NSC16685","","CC(=CC1=CC2=C(C=C1)OCO2)[N+](=O)[O-]","CCEVJKZHAJJQJR-QPJJXVBHSA-N","5375839",NA,"PDBC43794","16685","Present"
-"NSC167452","","","","","","","","","","","","","","","","","","","","NSC167452","","C1C2C3C(C1C(C2OC3=O)Br)C(=O)O","YAUZWMLHLWHCLG-UHFFFAOYSA-N","221498",NA,"PDBC43795","167452","Present"
-"NSC16876","","","","","","","","","","","","","","","","","","","","NSC16876","","C1=CC=C(C=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=CC=C2","KXBZBEIHDZTADD-UHWBUFEVSA-N","54599171",NA,"PDBC43796","16876","Present"
-"NSC169925","","","","","","","","","","","","","","","","","","","","NSC169925","","C[CH-]C(C)O.CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.C1CC[N-]CC1.[Co+2]","CCPVMHAZWLOTJX-DVTASQICSA-N","135539521",NA,"PDBC43797","169925","Present"
-"NSC169930","","","","","","","","","","","","","","","","","","","","NSC169930","","CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.[CH2-]CCN1CCOCC1.C1CC[N-]CC1.[Co+2]","UAFQMDRBAFZPJE-NMBSQECASA-N","135539525",NA,"PDBC43798","169930","Present"
-"NSC169931","","","","","","","","","","","","","","","","","","","","NSC169931","","CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.C1CC[N-]CC1.C1CCC([CH-]C1)O.[Co+2]","MNWKMTYIBUHANQ-NMBSQECASA-N","135539526",NA,"PDBC43799","169931","Present"
-"NSC169936","","","","","","","","","","","","","","","","","","","","NSC169936","","CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.C1=CN=CN1.[NH2-].[Fe]","YVHMNOGDBKPNFF-KMGPWXGDSA-N","135539528",NA,"PDBC43800","169936","Present"
-"NSC169942","","","","","","","","","","","","","","","","","","","","NSC169942","","CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.[Cu].[Cu]","HKDPHCBNSVWYSH-JRDGTKAFSA-N","135539530",NA,"PDBC43801","169942","Present"
-"NSC169959","","","","","","","","","","","","","","","","","","","","NSC169959","","[CH3-].[CH3-].CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.[Co].[Co]","QVJJIHZZQJXOES-HOVKTDFUSA-N","135539542",NA,"PDBC43802","169959","Present"
-"NSC170423","","","","","","","","","","","","","","","","","","","","NSC170423","","C1C[NH+]2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-].[Br-]","CPAODXQKEHIFEM-UHFFFAOYSA-M","11986117",NA,"PDBC43803","170423","Present"
-"NSC17270","","","","","","","","","","","","","","","","","","","","NSC17270","","CCC(C1=CC=C(C=C1)OC)C(CC)C2=CC(=C(C=C2)O)CN3CCCC3.Cl","SCXBDGNMVBAKMH-UHFFFAOYSA-N","54602439",NA,"PDBC43804","17270","Present"
-"NSC17271","","","","","","","","","","","","","","","","","","","","NSC17271","","CCC(C1=CC=C(C=C1)OC)C(CC)C2=CC(=C(C=C2)O)CN3CCN(CC3)C.Cl","LGZSOLIKKYJEOE-UHFFFAOYSA-N","54602508",NA,"PDBC43805","17271","Present"
-"NSC17600","","","","","","","","","","","","","","","","","","","","NSC17600","","C1CN=C(N1)C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=CC=C4.Cl","AWOBGJMPQCWIQX-UHFFFAOYSA-N","54598475",NA,"PDBC43806","17600","Present"
-"NSC17611","","","","","","","","","","","","","","","","","","","","NSC17611","","CC1CN=C(N1)C2=CC=CC(=C2)C3=CC=C(O3)C4=CC=CC=C4.Cl","WKHQPSNTKCLSEU-UHFFFAOYSA-N","54604999",NA,"PDBC43807","17611","Present"
-"NSC17612","","","","","","","","","","","","","","","","","","","","NSC17612","","CCN(CC)CCOC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O","SKRYSJYQMQHSEE-JCTPKUEWSA-N","54599983",NA,"PDBC43808","17612","Present"
-"NSC17647","","","","","","","","","","","","","","","","","","","","NSC17647","","CC1=C(C(CCC1)(C)C)CCC(C)NCC2=CC=C(C=C2)OCCCN3CCCCC3.C(=O)(C(=O)O)O","AQENUPFRIPQVSG-UHFFFAOYSA-N","54609095",NA,"PDBC43809","17647","Present"
-"NSC17758","","","","","","","","","","","","","","","","","","","","NSC17758","","CCCCCCCCCCCCCCCCCC1=NC(CN1CC(C)O)(C)C","BTAJSNVXTOHSCD-UHFFFAOYSA-N","226866",NA,"PDBC43810","17758","Present"
-"NSC17770","","","","","","","","","","","","","","","","","","","","NSC17770","","C[N+]1(CCCCC1)NCC[N+]2(CCC3=CC=CC=C3C2)C.[I-]","UDDBILIPNJPUJO-UHFFFAOYSA-M","5351678",NA,"PDBC43811","17770","Present"
-"NSC178847","","","","","","","","","","","","","","","","","","","","NSC178847","","CN(C)CCC(=O)C=CC1=CC=CC=C1.Cl","QFIBMGHTKGVQFG-UOQXYWCXSA-N","54608594",NA,"PDBC43812","178847","Present"
-"NSC181099","","","","","","","","","","","","","","","","","","","","NSC181099","","C1=CC=C2C(=C1)C=CC(=N2)NN=CC3=CC=CC=C3O","DWLVYMCSQRJOBF-GZTJUZNOSA-N","135443608",NA,"PDBC43813","181099","Present"
-"NSC18298","","","","","","","","","","","","","","","","","","","","NSC18298","","CC1=CC2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=CC(=N5)C=C1[N-]2)C)C)CCC(=O)O)C(=C3C)CCC(=O)O.[Cu+2]","YKUQTAQXUFCAJG-UHFFFAOYSA-L","3844272",NA,"PDBC43814","18298","Present"
-"NSC18300","","","","","","","","","","","","","","","","","","","","NSC18300","","CC1=CC2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)CCC(=O)O)C)C=C3C.[Pd+2]","JXQHSNVNYWLQJT-UHFFFAOYSA-L","3821089",NA,"PDBC43815","18300","Present"
-"NSC18312","","","","","","","","","","","","","","","","","","","","NSC18312","","CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)O.[Na+]","HBJSAFQHCIUHDQ-CMZLOHJFSA-N","54599988",NA,"PDBC43816","18312","Present"
-"NSC18320","","","","","","","","","","","","","","","","","","","","NSC18320","","CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OP(=O)(O)O.[Na+]","ZJQIXXKCWKCTCE-ZFINNJDLSA-N","54611709",NA,"PDBC43817","18320","Present"
-"NSC18430","","","","","","","","","","","","","","","","","","","","NSC18430","","CC1=CC(=C(C(=C1)C(C)(C)C)OCCCN2CCOCC2)C(C)(C)C.Cl","UUORUFIOAVZTBX-UHFFFAOYSA-N","54603939",NA,"PDBC43818","18430","Present"
-"NSC184692","","","","","","","","","","","","","","","","","","","","NSC184692","","CCC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O","MALRUKQRDHTJPO-UHFFFAOYSA-N","426244",NA,"PDBC43819","184692","Present"
-"NSC185060","","","","","","","","","","","","","","","","","","","","NSC185060","","C1=CC=C(C=C1)NC(=S)NN=CC2=NC=C(C=C2)O","GFLMEFXWINCBTI-OVCLIPMQSA-N","135443615",NA,"PDBC43820","185060","Present"
-"NSC185065","","","","","","","","","","","","","","","","","","","","NSC185065","","C1=CC(=CN=C1)NC(=S)NN=CC2=NC=C(C=C2)O","AIOMOJQIZSJNIB-VIZOYTHASA-N","135443616",NA,"PDBC43821","185065","Present"
-"NSC187494","","","","","","","","","","","","","","","","","","","","NSC187494","","C1CC2CC1CC2N=C(CSS(=O)(=O)O)N.Cl","QDOADBFDUMNPMV-UHFFFAOYSA-N","24195516",NA,"PDBC43822","187494","Present"
-"NSC187510","","","","","","","","","","","","","","","","","","","","NSC187510","","C1CN2CCC1C(C2)N=C(CCl)N.Cl","TYYNDQIHRXGANA-UHFFFAOYSA-N","24195521",NA,"PDBC43823","187510","Present"
-"NSC18773","","","","","","","","","","","","","","","","","","","","NSC18773","","CC1(C(NC(S1)C(C(=O)OC(C)(C)C)N2C(=O)C3=CC=CC=C3C2=O)C(=O)O)C","QGIHHNDVUYFYBK-UHFFFAOYSA-N","227293",NA,"PDBC43824","18773","Present"
-"NSC192734","","","","","","","","","","","","","","","","","","","","NSC192734","","CC1CCC2(C(C3C(O2)CC4C3(OC(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1","SIDPZFOCVWRMEX-UHFFFAOYSA-N","303607",NA,"PDBC43825","192734","Present"
-"NSC194271","","","","","","","","","","","","","","","","","","","","NSC194271","","C1C2CC3CC1CC(C2)(C3)CN=C(CSSCC(=NCC45CC6CC(C4)CC(C6)C5)N)N.Cl","KNPLWHWWQYIUBY-UHFFFAOYSA-N","54610572",NA,"PDBC43826","194271","Present"
-"NSC19995","","","","","","","","","","","","","","","","","","","","NSC19995","","C1=NC2=C(N1)C(=NC=N2)N(CCO)CCO","HDFTZBLKBXGFGD-UHFFFAOYSA-N","522083",NA,"PDBC43827","19995","Present"
-"NSC200736","","","","","","","","","","","","","","","","","","","","NSC200736","","C.CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)COC(=O)C1O)C)CO4","UYMAFCXKKGDQQU-CAOZSPNBSA-N","54599389",NA,"PDBC43828","200736","Present"
-"NSC202789","","","","","","","","","","","","","","","","","","","","NSC202789","","CC1=C(C(CCC1)(C)C)C=CC(=O)O","RCVGWZAQWMJQHG-VOTSOKGWSA-N","5383969",NA,"PDBC43829","202789","Present"
-"NSC20532","","","","","","","","","","","","","","","","","","","","NSC20532","","CCN(CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)CCO.Cl","ZMACPTXQCHCWIK-UHFFFAOYSA-N","24182794",NA,"PDBC43830","20532","Present"
-"NSC20535","","","","","","","","","","","","","","","","","","","","NSC20535","","CCN(CC)CCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl","PGVVDHZYVYDHHI-UHFFFAOYSA-N","54611703",NA,"PDBC43831","20535","Present"
-"NSC206601","","","","","","","","","","","","","","","","","","","","NSC206601","","C1=CC2=C(C=C1Cl)C(=CS2(=O)=O)CC(C(=O)O)N.Cl","IEGOMEPZISUTIT-UHFFFAOYSA-N","24195975",NA,"PDBC43832","206601","Present"
-"NSC207896","","","","","","","","","","","","","","","","","","","","NSC207896","","CNC(=S)NN=CCSCC=NNC(=S)NC","MIKGWDUMKVRKAY-HMMKTVFPSA-N","9554794",NA,"PDBC43833","207896","Present"
-"NSC208823","","","","","","","","","","","","","","","","","","","","NSC208823","","","","",NA,"PDBC43834","208823","Present"
-"NSC208885","","","","","","","","","","","","","","","","","","","","NSC208885","","","","",NA,"PDBC43835","208885","Present"
-"NSC20911","","","","","","","","","","","","","","","","","","","","NSC20911","","","","",NA,"PDBC43836","20911","Present"
-"NSC210595","","","","","","","","","","","","","","","","","","","","NSC210595","","CCCC1=CC=NC=C1.CC(=NO)C(=N[O-])C.CC(=NO)C(=N[O-])C.[Cl-].[Cl-].[Rh+3]","CHADGYGITBZNCS-LORNORSTSA-J","135539671",NA,"PDBC43837","210595","Present"
-"NSC211736","","","","","","","","","","","","","","","","","","","","NSC211736","","C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C3=NC4=NC=NC(=C4N3)N)(C5=CC=CC=C5)C6=CC=CC=C6.Br.[Br-]","CVFYTHIXHJPVQX-UHFFFAOYSA-M","5458435",NA,"PDBC43838","211736","Present"
-"NSC21435","","","","","","","","","","","","","","","","","","","","NSC21435","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C(=O)C=CC(=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","NQTYRTCISNIAEE-UHFFFAOYSA-N","228481",NA,"PDBC43839","21435","Present"
-"NSC21531","","","","","","","","","","","","","","","","","","","","NSC21531","","COC1=CC=C(C=C1)C2(C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC=CC=C5)Cl","JFGXQMZJWOMCOV-UHFFFAOYSA-N","228542",NA,"PDBC43840","21531","Present"
-"NSC21702","","","","","","","","","","","","","","","","","","","","NSC21702","","CC(C)CNC1=NC2=NC=NC(=C2N1)N.Br","IMKIESPFYBOWMT-UHFFFAOYSA-N","54609326",NA,"PDBC43841","21702","Present"
-"NSC21706","","","","","","","","","","","","","","","","","","","","NSC21706","","C1CN(CCN1CCO)C2=NC3=NC=NC(=C3N2)N.Cl","XHKPAWGSLUECNG-UHFFFAOYSA-N","54603570",NA,"PDBC43842","21706","Present"
-"NSC218440","","","","","","","","","","","","","","","","","","","","NSC218440","","C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)[N+](=O)[O-])[N+](=O)[O-].CS(=O)(=O)[O-]","FAIGLEXIJYWQJJ-UHFFFAOYSA-O","54610585",NA,"PDBC43843","218440","Present"
-"NSC221662","","","","","","","","","","","","","","","","","","","","NSC221662","","CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","RRCKMQLZGKWNPR-HNNXBMFYSA-N","312287",NA,"PDBC43844","221662","Present"
-"NSC22205","","","","","","","","","","","","","","","","","","","","NSC22205","","C1=CC(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","NLQWHIOPRSWUAS-UHFFFAOYSA-N","228947",NA,"PDBC43845","22205","Present"
-"NSC22227","","","","","","","","","","","","","","","","","","","","NSC22227","","C1=CSC(=C1)[Hg]N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl","DASRGHSNPRITOL-UHFFFAOYSA-M","409568",NA,"PDBC43846","22227","Present"
-"NSC23193","","","","","","","","","","","","","","","","","","","","NSC23193","","C1=C(C=C(C(=C1C(C2=C(C(=CC(=C2)Cl)Cl)O)C(Cl)(Cl)Cl)O)Cl)Cl","IHHXFGBJTXWXHB-UHFFFAOYSA-N","229471",NA,"PDBC43847","23193","Present"
-"NSC233872","","","","","","","","","","","","","","","","","","","","NSC233872","","CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CSC","OEDKPFMHPGEJKW-ONEGZZNKSA-N","5351269",NA,"PDBC43848","233872","Present"
-"NSC234766","","","","","","","","","","","","","","","","","","","","NSC234766","","C1CCN2C(C1)C3C4C(C2C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)OCC7=CC=CC=C7","WQDOIHGLAYPEJV-UHFFFAOYSA-N","54604506",NA,"PDBC43849","234766","Present"
-"NSC23676","","","","","","","","","","","","","","","","","","","","NSC23676","","CC(C)N(CC1=CC=C(C=C1)CN(C(C)C)C(=O)CCl)C(=O)CCl","LARPVVIIIJLGEH-UHFFFAOYSA-N","229748",NA,"PDBC43850","23676","Present"
-"NSC23904","","","","","","","","","","","","","","","","","","","","NSC23904","","CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)C5CCCN(C5)C)O)C)O.Cl","QQWMXXDGDWPAEG-UHFFFAOYSA-N","54598822",NA,"PDBC43851","23904","Present"
-"NSC23922","","","","","","","","","","","","","","","","","","","","NSC23922","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N)C)C.Cl","SQCCBMPNGQRZMK-CUTGYCSOSA-N","54601761",NA,"PDBC43852","23922","Present"
-"NSC23925","","","","","","","","","","","","","","","","","","","","NSC23925","","COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(C4CCCCN4)O.Cl","XDCQPCFYXQGEGY-UHFFFAOYSA-N","54601129",NA,"PDBC43853","23925","Present"
-"NSC24047","","","","","","","","","","","","","","","","","","","","NSC24047","","CN(CCC1=CC=CC=N1)C2=CC3=C(C=C2)C4=CC=CC=C4C3.I","RVLCNSHYBJALIJ-UHFFFAOYSA-N","24183114",NA,"PDBC43854","24047","Present"
-"NSC244402","","","","","","","","","","","","","","","","","","","","NSC244402","","CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2C5SCCS5)O)O)C","GCEUDIONNAAMRI-NISGPDFNSA-N","5358295",NA,"PDBC43855","244402","Present"
-"NSC247535","","","","","","","","","","","","","","","","","","","","NSC247535","","C1=C(NC=N1)C(C(C(=O)O)N)O.Cl","LQDUIZNPJZDBTI-UHFFFAOYSA-N","24197065",NA,"PDBC43856","247535","Present"
-"NSC248568","","","","","","","","","","","","","","","","","","","","NSC248568","","","","",NA,"PDBC43857","248568","Present"
-"NSC255980","","","","","","","","","","","","","","","","","","","","NSC255980","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC4C(C(C(C(O4)CO)O)O)O.[K+]","PCUPBZRSKVXLQJ-UHFFFAOYSA-N","54600548",NA,"PDBC43858","255980","Present"
-"NSC256440","","","","","","","","","","","","","","","","","","","","NSC256440","","COC1=CC(=C(C=C1C=CC2=NC=CC3=CC=CC=C32)OC)OC","IRRXVUZUTRHHKJ-HJWRWDBZSA-N","54598380",NA,"PDBC43859","256440","Present"
-"NSC256442","","","","","","","","","","","","","","","","","","","","NSC256442","","COC1=CC(=C(C(=C1)OC)C=CC2=CC=NC3=CC=CC=C23)OC","TZZOUOFCPOEBHI-HJWRWDBZSA-N","54601750",NA,"PDBC43860","256442","Present"
-"NSC256890","","","","","","","","","","","","","","","","","","","","NSC256890","","","","",NA,"PDBC43861","256890","Present"
-"NSC26081","","","","","","","","","","","","","","","","","","","","NSC26081","","CN(C)CCC(=O)C1=CC=C(C2=CC=CC=C21)OC.Cl","LDLYKYCTJMXHRV-UHFFFAOYSA-N","54604954",NA,"PDBC43862","26081","Present"
-"NSC26111","","","","","","","","","","","","","","","","","","","","NSC26111","","C1=CC(=C(C=C1Cl)Cl)C=C2C(=C(C(=C2Cl)Cl)Cl)Cl","HDNRJBPQWIJEIW-UHFFFAOYSA-N","230811",NA,"PDBC43863","26111","Present"
-"NSC261579","","","","","","","","","","","","","","","","","","","","NSC261579","","","","",NA,"PDBC43864","261579","Present"
-"NSC26349","","","","","","","","","","","","","","","","","","","","NSC26349","","CC1(C2CCC(C2)(C1OC(=O)C3=CC=CC=C3C(=O)O)C)C","JQPMUVLMMAFMKZ-UHFFFAOYSA-N","230919",NA,"PDBC43865","26349","Present"
-"NSC268708","","","","","","","","","","","","","","","","","","","","NSC268708","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)O)N)O.Cl","OFTDQPCDVVYOSS-MGDVTPSISA-N","24197650",NA,"PDBC43866","268708","Present"
-"NSC269207","","","","","","","","","","","","","","","","","","","","NSC269207","","","","",NA,"PDBC43867","269207","Present"
-"NSC272694","","","","","","","","","","","","","","","","","","","","NSC272694","","COC1=C(C=C2C3CC(CC4N3CCCC4)OC(=O)C=CC5=CC(=C(C=C5)O)C2=C1)O","CDTGNBVPXHNHGE-VURMDHGXSA-N","5358708",NA,"PDBC43868","272694","Present"
-"NSC273808","","","","","","","","","","","","","","","","","","","","NSC273808","","CC1CC[P+](C2=C1C=CC3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]","FYECJQYICJMTDE-UHFFFAOYSA-M","24197799",NA,"PDBC43869","273808","Present"
-"NSC273907","","","","","","","","","","","","","","","","","","","","NSC273907","","CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSS(=O)(=O)O.[Na+]","IRJHGCDAAIENGE-UHFFFAOYSA-N","54610759",NA,"PDBC43870","273907","Present"
-"NSC27417","","","","","","","","","","","","","","","","","","","","NSC27417","","CCCCC(CCCCCC(CCCC)C1C2=CC(=C(C=C2CC(N1)C)OC)OC)C3C4=CC(=C(C=C4CC(N3)C)OC)OC.Cl","RQWUPZXAJVJLSP-UHFFFAOYSA-N","24183467",NA,"PDBC43871","27417","Present"
-"NSC280471","","","","","","","","","","","","","","","","","","","","NSC280471","","","","",NA,"PDBC43872","280471","Present"
-"NSC281300","","","","","","","","","","","","","","","","","","","","NSC281300","","CC1CC2=CC3=C(C=C2N(CCC4=CC(=C(C=C14)O)OC)C)OCO3.Cl","JWVVSQTWTCEXEJ-UHFFFAOYSA-N","24197985",NA,"PDBC43873","281300","Present"
-"NSC28560","","","","","","","","","","","","","","","","","","","","NSC28560","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCN","BBHBBFNAIGRZEZ-UHFFFAOYSA-N","231822",NA,"PDBC43874","28560","Present"
-"NSC28566","","","","","","","","","","","","","","","","","","","","NSC28566","","CC(CCNCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)O.Cl","DKFBZYCLVJIMOT-UHFFFAOYSA-N","24183616",NA,"PDBC43875","28566","Present"
-"NSC28567","","","","","","","","","","","","","","","","","","","","NSC28567","","CC(CNCCNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O.[Cl-]","ZCMCNRORUBONDN-UHFFFAOYSA-M","24183617",NA,"PDBC43876","28567","Present"
-"NSC28568","","","","","","","","","","","","","","","","","","","","NSC28568","","CC(C)(CNCCNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O.[Cl-]","REKPAFCONBBRTC-UHFFFAOYSA-M","24183618",NA,"PDBC43877","28568","Present"
-"NSC28569","","","","","","","","","","","","","","","","","","","","NSC28569","","COC1=C(C=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NCCCNCCO)OC.[Cl-]","BRGPTRWGORGSOA-UHFFFAOYSA-M","24183619",NA,"PDBC43878","28569","Present"
-"NSC287499","","","","","","","","","","","","","","","","","","","","NSC287499","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)P(=O)(O)O","YNZCDMKQVUVWQC-CSKARUKUSA-N","5458577",NA,"PDBC43879","287499","Present"
-"NSC288003","","","","","","","","","","","","","","","","","","","","NSC288003","","CC12CCC3C4CCC(=O)NC4(CCC3C1(CCC(C2)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C","NVRRKGOJPMOAEG-YDVZVXLRSA-N","324078",NA,"PDBC43880","288003","Present"
-"NSC29016","","","","","","","","","","","","","","","","","","","","NSC29016","","CC1=CC(=C(C(=C1C2=C(C(=C(C(=C2Br)O)C3=C(C(=C(C=C3C)C)Br)C)Br)O)C)Br)C","HXLAFKYCDZWECC-UHFFFAOYSA-N","232014",NA,"PDBC43881","29016","Present"
-"NSC290205","","","","","","","","","","","","","","","","","","","","NSC290205","","CC12CCC(CC1CCC3C2CCC4(C3CCC(=O)N4)C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl","JMZJBCNHUJOLER-UHFFFAOYSA-N","431186",NA,"PDBC43882","290205","Present"
-"NSC294526","","","","","","","","","","","","","","","","","","","","NSC294526","","","","",NA,"PDBC43883","294526","Present"
-"NSC294814","","","","","","","","","","","","","","","","","","","","NSC294814","","CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3","MMEBJLATRATDOX-LDADJPATSA-N","5361900",NA,"PDBC43884","294814","Present"
-"NSC295391","","","","","","","","","","","","","","","","","","","","NSC295391","","C1C(C(OC1N2C=C(C3=C(N=CN=C32)N)C(=O)N)CO)O","SSAXPGYDNCGRHY-UHFFFAOYSA-N","325842",NA,"PDBC43885","295391","Present"
-"NSC295499","","","","","","","","","","","","","","","","","","","","NSC295499","","COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC(=O)N5CCOCC5)O)C2=NC6=CC=CC=C61","YVNNIWKSNZPQOZ-UHFFFAOYSA-N","325910",NA,"PDBC43886","295499","Present"
-"NSC295500","","","","","","","","","","","","","","","","","","","","NSC295500","","COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC(=O)OC)O)C2=NC5=CC=CC=C51","JKMYAMJUZUUXBQ-UHFFFAOYSA-N","325911",NA,"PDBC43887","295500","Present"
-"NSC295501","","","","","","","","","","","","","","","","","","","","NSC295501","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)OC)O","WJNQIJDZEGIYCZ-UHFFFAOYSA-N","325912",NA,"PDBC43888","295501","Present"
-"NSC295642","","","","","","","","","","","","","","","","","","","","NSC295642","","","","",NA,"PDBC43889","295642","Present"
-"NSC296301","","","","","","","","","","","","","","","","","","","","NSC296301","","CC(=NNC(=S)NC1CCCCC1)C2=CC=CC=N2","NHLSZYPMCMMCMK-GZTJUZNOSA-N","5371198",NA,"PDBC43890","296301","Present"
-"NSC299190","","","","","","","","","","","","","","","","","","","","NSC299190","","COC1=CC2=C[N+]3=C(C=C2C=C1O)C4=CC(=C(C=C4C=C3)OC)OC.[Cl-]","GZGVRTLIXLSQFP-UHFFFAOYSA-N","24198554",NA,"PDBC43891","299190","Present"
-"NSC30019","","","","","","","","","","","","","","","","","","","","NSC30019","","CCN(CC)CCCC(C1=CC=C(C=C1)Cl)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC.Cl","SIFSGTWPFLQCJS-UHFFFAOYSA-N","24182300",NA,"PDBC43892","30019","Present"
-"NSC30198","","","","","","","","","","","","","","","","","","","","NSC30198","","CC1=CC(=C2C=C(C=CC2=N1)Cl)NCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)Cl.Cl","PLTRTFAQAZIJBR-UHFFFAOYSA-N","24183788",NA,"PDBC43893","30198","Present"
-"NSC305787 (hydrochloride)","","","","","","","","","","","","","","","","","","","","(6,8-dichloro-2-adamantylquinolin-4-yl)-(piperidin-2-yl)...","","C1CCNC(C1)C(C2=CC(=NC3=C2C=C(C=C3Cl)Cl)C45CC6CC(C4)CC(C6)C5)O.Cl","JQALIVSYOXLOBE-UHFFFAOYSA-N","54607543",NA,"PDBC43894","305787","Present"
-"NSC305805","","","","","","","","","","","","","","","","","","","","NSC305805","","CC1=C2C=C(C=C(C2=NC=C1)NC(C)CCCN)OC.OP(=O)(O)O","FANCDCGGVHVCDB-UHFFFAOYSA-N","54601617",NA,"PDBC43895","305805","Present"
-"NSC306698","","","","","","","","","","","","","","","","","","","","NSC306698","","CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O)C.CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2[O-])C.[Ni+2]","VTKTXPZDLMLASC-UHFFFAOYSA-M","6711223",NA,"PDBC43896","306698","Present"
-"NSC3081","","","","","","","","","","","","","","","","","","","","NSC3081","","CCCCCCC1N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N.Cl","YGAWNXDAVZMWCS-UHFFFAOYSA-N","24180954",NA,"PDBC43897","3081","Present"
-"NSC309962","","","","","","","","","","","","","","","","","","","","NSC309962","","","","",NA,"PDBC43898","309962","Present"
-"NSC310547","","","","","","","","","","","","","","","","","","","","NSC310547","","","","",NA,"PDBC43899","310547","Present"
-"NSC310551","","","","","","","","","","","","","","","","","","","","NSC310551","","","","",NA,"PDBC43900","310551","Present"
-"NSC310669","","","","","","","","","","","","","","","","","","","","NSC310669","","COC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N","VKSRAKNPXOTFAX-UHFFFAOYSA-N","100022",NA,"PDBC43901","310669","Present"
-"NSC314622","","","","","","","","","","","","","","","","","","","","NSC314622","","CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5","LWLNFIXOPOZENE-UHFFFAOYSA-N","329826",NA,"PDBC43902","314622","Present"
-"NSC31692","","","","","","","","","","","","","","","","","","","","NSC31692","","CC(=O)C(=CC1=CC=C(C=C1)Cl)C2=CC=CC=C2","OHUPHNWMLWIYGY-LFIBNONCSA-N","5898667",NA,"PDBC43903","31692","Present"
-"NSC31778","","","","","","","","","","","","","","","","","","","","NSC31778","","CCN(CC)C1=CC(=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C)C.Cl.[Cl-]","ZHADVXQBQNXURV-UHFFFAOYSA-M","54603354",NA,"PDBC43904","31778","Present"
-"NSC31779","","","","","","","","","","","","","","","","","","","","NSC31779","","CC1(C2=CC=CC=C2N(C1=CC(C(C3=[N+](C4=CC=CC=C4C3(C)C)C)I)I)C)C.[Cl-]","IPSCFKKYZIVWAL-XGRJIHFXSA-M","54603015",NA,"PDBC43905","31779","Present"
-"NSC319095","","","","","","","","","","","","","","","","","","","","NSC319095","","C1CC2(CN(C1)CC3=CC=CC=C3)NC(CS2)C(=O)O.Cl","IYCRPYKKEADDNT-UHFFFAOYSA-N","54612218",NA,"PDBC43906","319095","Present"
-"NSC321206","","","","","","","","","","","","","","","","","","","","NSC321206","","","","",NA,"PDBC43907","321206","Present"
-"NSC321240","","","","","","","","","","","","","","","","","","","","NSC321240","","","","",NA,"PDBC43908","321240","Present"
-"NSC32178","","","","","","","","","","","","","","","","","","","","NSC32178","","CCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC2=CC=CC=C2.[Cl-]","NNHOXJOMRDSFOB-UHFFFAOYSA-M","24183968",NA,"PDBC43909","32178","Present"
-"NSC32196","","","","","","","","","","","","","","","","","","","","NSC32196","","C1=CC=C(C=C1)CC(C2=CC=CC=C2)NCCNC(CC3=CC=CC=C3)C4=CC=CC=C4.Cl","ORKVNKJCROSHTI-UHFFFAOYSA-N","54609080",NA,"PDBC43910","32196","Present"
-"NSC32198","","","","","","","","","","","","","","","","","","","","NSC32198","","CC(CNC(CC1=CC=CC=C1)C2=CC=CC=C2)NC(CC3=CC=CC=C3)C4=CC=CC=C4.Cl","ZDHAECDLKAYAQG-UHFFFAOYSA-N","54603355",NA,"PDBC43911","32198","Present"
-"NSC328201","","","","","","","","","","","","","","","","","","","","NSC328201","","","","",NA,"PDBC43912","328201","Present"
-"NSC3283","","","","","","","","","","","","","","","","","","","","NSC3283","","C[N+]1(CCCC1C2CCCN(C2)CC3=CC(=C(C=C3)Cl)Cl)CC4=CC(=C(C=C4)Cl)Cl","VCNWWPPKTLBCIZ-UHFFFAOYSA-N","54599875",NA,"PDBC43913","3283","Present"
-"NSC329277","","","","","","","","","","","","","","","","","","","","NSC329277","","CCOC1=CC=CC(=C1O)C=NN=C2C3=C(C(=CC(=C3)Cl)Cl)NC2=O","XCMWBFVQBQQOBO-DNTJNYDQSA-N","135452599",NA,"PDBC43914","329277","Present"
-"NSC329279","","","","","","","","","","","","","","","","","","","","NSC329279","","C1=COC(=C1)C=NN=C2C3=C(C(=CC(=C3)Cl)Cl)NC2=O","QKVSXVIETMDKAJ-OMCISZLKSA-N","135452601",NA,"PDBC43915","329279","Present"
-"NSC330463","","","","","","","","","","","","","","","","","","","","NSC330463","","","","",NA,"PDBC43916","330463","Present"
-"NSC333003","","","","","","","","","","","","","","","","","","","","NSC333003","","C1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3S2)C4=CC=CC=N4","YAMFSZLGGBDHDG-RELWKKBWSA-N","5458748",NA,"PDBC43917","333003","Present"
-"NSC33410","","","","","","","","","","","","","","","","","","","","NSC33410","","COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=CC=C4","XTSSXTWGEJTWBM-FQEVSTJZSA-N","46151",NA,"PDBC43918","33410","Present"
-"NSC33413","","","","","","","","","","","","","","","","","","","","NSC33413","","CCCCC(CC)COC(=O)C[N+](C)(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]","QCXRSMCYSDEVPI-UHFFFAOYSA-M","24184161",NA,"PDBC43919","33413","Present"
-"NSC334352","","","","","","","","","","","","","","","","","","","","NSC334352","","CN(C)CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)O","YDQFGJFCLNZQJY-UHFFFAOYSA-N","333459",NA,"PDBC43920","334352","Present"
-"NSC33467","","","","","","","","","","","","","","","","","","","","NSC33467","","CC[N+]1=C(C=CC2=C1C=CC(=C2)C)C=CC3=CC=C(C=C3)N(CC)CC.[Cl-]","QKPVNWPUSANAKZ-UHFFFAOYSA-M","54605652",NA,"PDBC43921","33467","Present"
-"NSC33553","","","","","","","","","","","","","","","","","","","","NSC33553","","CC1=CC=C(C=C1)C(CN(C)C)C(=O)C2=CC=CC=C2.Cl","UGGKTUKSIOVZNK-UHFFFAOYSA-N","54605655",NA,"PDBC43922","33553","Present"
-"NSC335791","","","","","","","","","","","","","","","","","","","","NSC335791","","CCCC(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3","SXEPBWUAUNIYCG-LVZFUZTISA-N","5921457",NA,"PDBC43923","335791","Present"
-"NSC335794","","","","","","","","","","","","","","","","","","","","NSC335794","","CCCC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=N3","TYTDQQOGLGLLNX-OQKWZONESA-N","5930549",NA,"PDBC43924","335794","Present"
-"NSC33719","","","","","","","","","","","","","","","","","","","","NSC33719","","C1CN=C(N1)SCC(=O)NC2=CC=CC=C2.Cl","YPGQWXYRKMTUBE-UHFFFAOYSA-N","16249473",NA,"PDBC43925","33719","Present"
-"NSC337817","","","","","","","","","","","","","","","","","","","","NSC337817","","C1CC(=NNC(=O)N)C(CC1O)CC(=O)O","GFUGHMNSMAXSJC-XFFZJAGNSA-N","5458760",NA,"PDBC43926","337817","Present"
-"NSC337857","","","","","","","","","","","","","","","","","","","","NSC337857","","","","",NA,"PDBC43927","337857","Present"
-"NSC339316","","","","","","","","","","","","","","","","","","","","NSC339316","","CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=NC=CN=C3","HCNCHPUSRLRNJS-WQRHYEAKSA-N","5481306",NA,"PDBC43928","339316","Present"
-"NSC339480","","","","","","","","","","","","","","","","","","","","NSC339480","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Br)C(=O)O2","FKVLAHXEKNXHCF-UVTDQMKNSA-N","1549540",NA,"PDBC43929","339480","Present"
-"NSC339600","","","","","","","","","","","","","","","","","","","","NSC339600","","CC1=CC(=NC(=C1C#N)SCC(=O)C2=C([N+]3=C(C=C(C(=C3S2)C#N)C)C)[O-])C","YHKREOVCHMFQOL-UHFFFAOYSA-N","24199701",NA,"PDBC43930","339600","Present"
-"NSC339614","","","","","","","","","","","","","","","","","","","","NSC339614","","C1=CC2=C(C=C1[N+](=O)[O-])C(=CC3=NON=C23)S(=O)(=O)O.[K+]","USKSVJAMFHMGIJ-UHFFFAOYSA-N","54601921",NA,"PDBC43931","339614","Present"
-"NSC34008","","","","","","","","","","","","","","","","","","","","NSC34008","","CC1=C(C(=CC=C1)Cl)NCC(CN2CCN(CC2)C)O.Cl","SCOFUWSVODOKIL-UHFFFAOYSA-N","24184288",NA,"PDBC43932","34008","Present"
-"NSC34046","","","","","","","","","","","","","","","","","","","","NSC34046","","CCC(=CC1=CC=C(C=C1)N(C)C)C2=CC=NC=C2","ONNMQUCZUHOJPE-FYWRMAATSA-N","6080793",NA,"PDBC43933","34046","Present"
-"NSC346243","","","","","","","","","","","","","","","","","","","","NSC346243","","CC(CCC1=CC2=C(C=C1)N(C3=C(C2=N)C=CC(=C3)N)O)CC(C)(C)C.Cl","BSQPXRGEZCYROU-UHFFFAOYSA-N","24199848",NA,"PDBC43934","346243","Present"
-"NSC34749","","","","","","","","","","","","","","","","","","","","NSC34749","","CNC(CC1=CC=CC=C1)C2=C(C(=CC=C2)OC)O.Cl","HGTSCAHEZBBUHW-UHFFFAOYSA-N","54605247",NA,"PDBC43935","34749","Present"
-"NSC34908","","","","","","","","","","","","","","","","","","","","NSC34908","","C1=CC=C2C(=C1)C=CC=C2C(=CC3=CC=C(C=C3)O)C(=O)O","WCWSHQWULMKEEQ-PDGQHHTCSA-N","5771547",NA,"PDBC43936","34908","Present"
-"NSC35049","","","","","","","","","","","","","","","","","","","","NSC35049","","CC(C)C1=CC=C(C=C1)C=C2C=C(OC2=O)C3=CC4=CC=CC=C4C=C3","NTKKXMINIPBLPE-XKZIYDEJSA-N","16677988",NA,"PDBC43937","35049","Present"
-"NSC350545","","","","","","","","","","","","","","","","","","","","NSC350545","","CC1=CC(=O)OC2=C3C(=COC3=C(C=C12)OCC(=O)OCCN4CCCCC4)C.Cl","DWIKWVPUASYFPD-UHFFFAOYSA-N","12793966",NA,"PDBC43938","350545","Present"
-"NSC351075","","","","","","","","","","","","","","","","","","","","NSC351075","","CC(=C1C=CC=CN1O)N=NC(=S)N2CCCCCC2","GFJNMNNUJLCZEE-ASPATJOSSA-N","44383484",NA,"PDBC43939","351075","Present"
-"NSC352670","","","","","","","","","","","","","","","","","","","","NSC352670","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OCC5=CC=CC=C5)OC)OC)OC)OC.CS(=O)(=O)O","KKSKTPUCMSLMRQ-UHFFFAOYSA-N","434589",NA,"PDBC43940","352670","Present"
-"NSC353647","","","","","","","","","","","","","","","","","","","","NSC353647","","CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2O)OCO3","QMDPKFZRXHOXTD-UHFFFAOYSA-N","337029",NA,"PDBC43941","353647","Present"
-"NSC356128","","","","","","","","","","","","","","","","","","","","NSC356128","","CC(=NNC(=S)NC1=CC=C(C=C1)C(=O)O)C2=CC=CC=N2","GXSXJJYJTWZVGQ-VCHYOVAHSA-N","5464852",NA,"PDBC43942","356128","Present"
-"NSC357777","","","","","","","","","","","","","","","","","","","","NSC357777","","C1=CC=C2C(=C1)C3=C(N2)C(=C(C=C3)O)N=NC4=CC=C(C=C4)C(=N)N.Cl","LTXHVKMADPBZBC-UHFFFAOYSA-N","135443452",NA,"PDBC43943","357777","Present"
-"NSC358285","","","","","","","","","","","","","","","","","","","","NSC358285","","C1=C(N=C(S1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N","INQLNSVYIFCUML-UHFFFAOYSA-N","337960",NA,"PDBC43944","358285","Present"
-"NSC35855","","","","","","","","","","","","","","","","","","","","NSC35855","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)NC4=C(C(=O)C5=CC=CC=C5C4=O)Cl)NC6=C(C(=O)C7=CC=CC=C7C6=O)Cl","NIAYYCCRADTAIY-UHFFFAOYSA-N","5355426",NA,"PDBC43945","35855","Present"
-"NSC359454","","","","","","","","","","","","","","","","","","","","NSC359454","","C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CS(=O)(=O)CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C1","KODOIJDVBKKEEB-VOKWCDJLSA-N","6148974",NA,"PDBC43946","359454","Present"
-"NSC360209","","","","","","","","","","","","","","","","","","","","NSC360209","","CN1C2CCC1C=C(C2)C3=CC=CC=C3","UXLXGUFVIVPRHL-UHFFFAOYSA-N","338925",NA,"PDBC43947","360209","Present"
-"NSC360218","","","","","","","","","","","","","","","","","","","","NSC360218","","CC1CN(CCN1CC2=CC=C(O2)C)CC3=CC=C(O3)C.Cl","YWUAKDQIGAHZMD-UHFFFAOYSA-N","54601895",NA,"PDBC43948","360218","Present"
-"NSC361429","","","","","","","","","","","","","","","","","","","","NSC361429","","C1=CC2C3C(C1C4C2C(=O)N(C4=O)CO)C5C3C(=O)N(C5=O)CO","PCKOSQUZBKKIPS-UHFFFAOYSA-N","338502",NA,"PDBC43949","361429","Present"
-"NSC361792","","","","","","","","","","","","","","","","","","","","NSC361792","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O","PKYOHQGXPPVIGD-UHFFFAOYSA-N","434973",NA,"PDBC43950","361792","Present"
-"NSC361813","","","","","","","","","","","","","","","","","","","","NSC361813","","CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCN(CC7)C","AHOKCVUTHKNVPX-UHFFFAOYSA-N","338632",NA,"PDBC43951","361813","Present"
-"NSC361814","","","","","","","","","","","","","","","","","","","","NSC361814","","C1CSCCN1CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCSCC7","ZHGBLCZCVRDEAK-UHFFFAOYSA-N","338633",NA,"PDBC43952","361814","Present"
-"NSC361815","","","","","","","","","","","","","","","","","","","","NSC361815","","C1COCCN1CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCOCC7","JRKLWXCGSHKFMW-UHFFFAOYSA-N","338634",NA,"PDBC43953","361815","Present"
-"NSC36359","","","","","","","","","","","","","","","","","","","","NSC36359","","C1CCC2=C(C1)C=CC(=C2)C(=O)C[N+]3=CC=CC4=C3C=CC(=C4)Cl.[Br-]","HSTMGQSKPCTALP-UHFFFAOYSA-M","24184856",NA,"PDBC43954","36359","Present"
-"NSC363997","","","","","","","","","","","","","","","","","","","","NSC363997","","C1=CC2=C(C(=C1)NCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCNCCO.Cl","LKRGAEYZCIYMPB-UHFFFAOYSA-N","54612250",NA,"PDBC43955","363997","Present"
-"NSC364188","","","","","","","","","","","","","","","","","","","","NSC364188","","CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCN(CC7)C.Cl","IBNRBPVYVIHUCM-UHFFFAOYSA-N","49861682",NA,"PDBC43956","364188","Present"
-"NSC366163","","","","","","","","","","","","","","","","","","","","NSC366163","","CN1C(=CN=C1CN2CCN(CC2)CCO)[N+](=O)[O-]","HFDSCTCNNRNJIE-UHFFFAOYSA-N","338717",NA,"PDBC43957","366163","Present"
-"NSC366370","","","","","","","","","","","","","","","","","","","","NSC366370","","C1=CC2C3C(C1C4C2C(=O)N(C4=O)CO)C(=O)N(C3=O)CO","QSVYAVFXEIKNMM-IRLGLTFLSA-N","339505",NA,"PDBC43958","366370","Present"
-"NSC368671","","","","","","","","","","","","","","","","","","","","NSC368671","","CCCCCCCCC=CCC(=O)OC1C2C(=C)C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O","RULBXOABLNFKRW-OUKQBFOZSA-N","5477924",NA,"PDBC43959","368671","Present"
-"NSC368672","","","","","","","","","","","","","","","","","","","","NSC368672","","CCCCCC(=CCC(=O)OC1C2C(=C)C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C","JNBOCJQZCHEASA-XNTDXEJSSA-N","5477925",NA,"PDBC43960","368672","Present"
-"NSC369310","","","","","","","","","","","","","","","","","","","","NSC369310","","CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC.C1=CC=CC=C1","BCRANABGBDJPMM-QBYKQQEBSA-N","340032",NA,"PDBC43961","369310","Present"
-"NSC370791","","","","","","","","","","","","","","","","","","","","NSC370791","","C1C(C(C2C1O2)S(=O)(=O)C3=CC=CC=C3)O","ZXFSRTFQBKAVGK-LNFKQOIKSA-N","340332",NA,"PDBC43962","370791","Present"
-"NSC371010","","","","","","","","","","","","","","","","","","","","NSC371010","","CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","SMDGYUXIZWCCHF-UHFFFAOYSA-N","146609",NA,"PDBC43963","371010","Present"
-"NSC372209","","","","","","","","","","","","","","","","","","","","NSC372209","","C1=CC2C3C(C1C4C2C(=O)N(C4=O)COC(=O)CN)C5C3C(=O)N(C5=O)COC(=O)CN.C(=O)(C(F)(F)F)O","WJGCBJYBDMLJDB-UHFFFAOYSA-N","54611183",NA,"PDBC43964","372209","Present"
-"NSC372474","","","","","","","","","","","","","","","","","","","","NSC372474","","","","",NA,"PDBC43965","372474","Present"
-"NSC37248","","","","","","","","","","","","","","","","","","","","NSC37248","","CC(C)CCN(CCC(C)C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN(CCC(C)C)CCC(C)C","KGVLTUVMOVHKDD-UHFFFAOYSA-N","235636",NA,"PDBC43966","37248","Present"
-"NSC37249","","","","","","","","","","","","","","","","","","","","NSC37249","","C1CCC(CC1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CN(C4CCCCC4)C5CCCCC5)C6CCCCC6","JQYJJPSTWWRURQ-UHFFFAOYSA-N","235637",NA,"PDBC43967","37249","Present"
-"NSC372546","","","","","","","","","","","","","","","","","","","","NSC372546","","","","",NA,"PDBC43968","372546","Present"
-"NSC372547","","","","","","","","","","","","","","","","","","","","NSC372547","","","","",NA,"PDBC43969","372547","Present"
-"NSC37261","","","","","","","","","","","","","","","","","","","","NSC37261","","C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)CCl)NC(=O)CCl","SVQWRVUVTZFTFO-UHFFFAOYSA-N","235647",NA,"PDBC43970","37261","Present"
-"NSC373529","","","","","","","","","","","","","","","","","","","","NSC373529","","CC(=O)O.CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCN(CC7)C","XDUQDAZUBUSQSK-UHFFFAOYSA-N","3246685",NA,"PDBC43971","373529","Present"
-"NSC37372","","","","","","","","","","","","","","","","","","","","NSC37372","","C1CCN(CC1)CCN2N=C(N=N2)C3=CC=CC=C3.Cl","GAHPZEORDWQEHD-UHFFFAOYSA-N","3030625",NA,"PDBC43972","37372","Present"
-"NSC373961","","","","","","","","","","","","","","","","","","","","NSC373961","","CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8.CC(=O)O","LYCYLGFSIXIXAB-UHFFFAOYSA-N","25074998",NA,"PDBC43973","373961","Present"
-"NSC373962","","","","","","","","","","","","","","","","","","","","NSC373962","","CC(C)CC(C(=NC(CCCN=C(N)N)C(=O)N1CCCC1C(=NC(C)C(=N)O)O)O)N=C(C(CCCN=C(N)N)N=C(C(CC2=CC=C(C=C2)O)N=C(C(CO)N=C(C(CC3=CNC4=CC=CC=C43)N=C(C(CC5=CC=C(C=C5)Cl)N=C(C(CC6=CC7=CC=CC=C7C=C6)N=C(C)O)O)O)O)O)O)O","JXMOHODZIZFJSB-UHFFFAOYSA-N","54604662",NA,"PDBC43974","373962","Present"
-"NSC374028","","","","","","","","","","","","","","","","","","","","NSC374028","","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN6CCN(CC6)CCO","JVRWLYWKAJTQFS-UHFFFAOYSA-N","435681",NA,"PDBC43975","374028","Present"
-"NSC374998","","","","","","","","","","","","","","","","","","","","NSC374998","","CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=NC=CC=N3","JLEOLHIYYWXFTJ-DEDYPNTBSA-N","9574395",NA,"PDBC43976","374998","Present"
-"NSC375161","","","","","","","","","","","","","","","","","","","","NSC375161","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)C(=O)NN=CC5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C","GZDVTXZHQNWUEQ-VEOFBDBBSA-O","54601189",NA,"PDBC43977","375161","Present"
-"NSC3752","","","","","","","","","","","","","","","","","","","","NSC3752","","CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)NC3=C2CCC3","FLXLKAGXWDEWAL-UHFFFAOYSA-N","220688",NA,"PDBC43978","3752","Present"
-"NSC375389","","","","","","","","","","","","","","","","","","","","NSC375389","","CN(C)CCNC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)O","LIXQKVJTQBUEPZ-UHFFFAOYSA-N","341818",NA,"PDBC43979","375389","Present"
-"NSC375504","","","","","","","","","","","","","","","","","","","","NSC375504","","CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)O","LDJUMRJNYFZQRI-UHFFFAOYSA-N","341833",NA,"PDBC43980","375504","Present"
-"NSC376354","","","","","","","","","","","","","","","","","","","","NSC376354","","CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl.C(=CC(=O)O)C(=O)O","GFGQMEZSKAQPQP-BTJKTKAUSA-N","5385035",NA,"PDBC43981","376354","Present"
-"NSC376597","","","","","","","","","","","","","","","","","","","","NSC376597","","CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)CN6CCN(CC6)C.Cl","SEOQTWFWSQOBRS-UHFFFAOYSA-N","54611271",NA,"PDBC43982","376597","Present"
-"NSC378477","","","","","","","","","","","","","","","","","","","","NSC378477","","C1=CC2C3C(C1C4C2C(=O)N(C4=O)COC(=O)CN)C5C3C(=O)N(C5=O)COC(=O)CN.Cl","LBKUKUCPMFHNNP-UHFFFAOYSA-N","54601190",NA,"PDBC43983","378477","Present"
-"NSC378735","","","","","","","","","","","","","","","","","","","","NSC378735","","CC1C2CC=C3C2(COC1(C(CC(C)(C)O)O)O)C(=O)CC4C3CCC5C4(CC6=NC7=C(CC8(C(C7)CCC9C8CC(C1(C9=CC2C1(C(C1(O2)C(CC(O1)(C)CO)O)C)O)C)O)C)N=C6C5)C","XLBCKHQLKVRGAX-VZTJZOSUSA-N","6711247",NA,"PDBC43984","378735","Present"
-"NSC37876","","","","","","","","","","","","","","","","","","","","NSC37876","","CN(C)CCCOC1=C2C(=C(C=C1)OCCCN(C)C)C(=O)C3=CC=CC=C3C2=O.Br","JRIAZSIHMQLVCF-UHFFFAOYSA-N","54599458",NA,"PDBC43985","37876","Present"
-"NSC378842","","","","","","","","","","","","","","","","","","","","NSC378842","","","","",NA,"PDBC43986","378842","Present"
-"NSC378843","","","","","","","","","","","","","","","","","","","","NSC378843","","","","",NA,"PDBC43987","378843","Present"
-"NSC378876","","","","","","","","","","","","","","","","","","","","NSC378876","","CC(C)(CN(C)C)C(=O)C=CC1=CC=CC=C1.Cl","OKJBLELSMHKFFK-ASTDGNLGSA-N","6366949",NA,"PDBC43988","378876","Present"
-"NSC37888","","","","","","","","","","","","","","","","","","","","NSC37888","","CN(C)CCCOC1=CC=C(C=C1)NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)OCCCN(C)C)Cl.Cl","UTSWYDVSMNDGNN-UHFFFAOYSA-N","24185141",NA,"PDBC43989","37888","Present"
-"NSC37889","","","","","","","","","","","","","","","","","","","","NSC37889","","CN(C)CCCOC1=CC=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3OCCCN(C)C)Cl","WBUCDXDUHFALAO-UHFFFAOYSA-N","235958",NA,"PDBC43990","37889","Present"
-"NSC378895","","","","","","","","","","","","","","","","","","","","NSC378895","","","","",NA,"PDBC43991","378895","Present"
-"NSC378896","","","","","","","","","","","","","","","","","","","","NSC378896","","","","",NA,"PDBC43992","378896","Present"
-"NSC37895","","","","","","","","","","","","","","","","","","","","NSC37895","","CN(C)CCOC1=CC=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3OCCN(C)C)Cl","MLWBJUVGWZVXCF-UHFFFAOYSA-N","235960",NA,"PDBC43993","37895","Present"
-"NSC37896","","","","","","","","","","","","","","","","","","","","NSC37896","","CC(CN(C)C)OC1=CC=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3OC(C)CN(C)C)Cl.Cl","USFAHBCJIKVFCT-UHFFFAOYSA-N","24185143",NA,"PDBC43994","37896","Present"
-"NSC37898","","","","","","","","","","","","","","","","","","","","NSC37898","","CN(C)CCOC1=CC=CC(=C1)NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)OCCN(C)C)Cl","BGGJJODVQUHRLH-UHFFFAOYSA-N","235961",NA,"PDBC43995","37898","Present"
-"NSC37900","","","","","","","","","","","","","","","","","","","","NSC37900","","CN(C)CCCSC1=CC=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3SCCCN(C)C)Cl","APNBWCRIWGVOGO-UHFFFAOYSA-N","235963",NA,"PDBC43996","37900","Present"
-"NSC37901","","","","","","","","","","","","","","","","","","","","NSC37901","","CN(C)CCCOC1=CC=CC(=C1)NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)OCCCN(C)C)Cl.Cl","YEWOICVUOOUZFG-UHFFFAOYSA-N","24185144",NA,"PDBC43997","37901","Present"
-"NSC379507","","","","","","","","","","","","","","","","","","","","NSC379507","","CN(CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Cl","CJJLZHBWVSEZNG-UHFFFAOYSA-N","24200525",NA,"PDBC43998","379507","Present"
-"NSC379552","","","","","","","","","","","","","","","","","","","","NSC379552","","C1=CC=NC(=C1)NC=C(C#N)C(=O)C2=CC=CO2","OQXJVIYHJGTXCN-MDZDMXLPSA-N","2819118",NA,"PDBC43999","379552","Present"
-"NSC379553","","","","","","","","","","","","","","","","","","","","NSC379553","","C1CC1C(=O)C(=CNC2=CC=CC=N2)C#N","GUJHVNHITJUTSX-CSKARUKUSA-N","2819119",NA,"PDBC44000","379553","Present"
-"NSC379877","","","","","","","","","","","","","","","","","","","","NSC379877","","C1CC1CN2CNC(=NC2)SCC3=CC(=CC4=C3OCOC4)Cl.Cl","BWGCNVRTSHZLEA-UHFFFAOYSA-N","2799438",NA,"PDBC44001","379877","Present"
-"NSC380482","","","","","","","","","","","","","","","","","","","","NSC380482","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2N(C=CS2)C=C1C3=CC=C(C=C3)C=NNC4=NC(=NC=C4)NN=CC5=CC=C(C=C5)C6=CN7C=CSC7=[N+]6C","OWQVLDALODQCRR-LQDKXMSRSA-M","54604722",NA,"PDBC44002","380482","Present"
-"NSC381101","","","","","","","","","","","","","","","","","","","","NSC381101","","CC1C=CC=CC=CC(=O)NC2=C(C3=C(C(=C(C(=C3)C)O)C(=O)C(=CC(C(C(C=CC(CC=C(C(=O)CC1O)C)O)C)O)C)C)C(=O)C2=O)O","VMGZUMXAOXKLLT-QTUXANFPSA-N","54601697",NA,"PDBC44003","381101","Present"
-"NSC381102","","","","","","","","","","","","","","","","","","","","NSC381102","","CC1C=CC=CC=CC(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)C(=CC(C(C(C=CC(CC=C(C(=O)CC1O)C)O)C)O)C)C)O)C)SCC(C(=O)O)NC(=O)C","VEDOKYSBCNXSGP-XXMPAYMKSA-N","54602179",NA,"PDBC44004","381102","Present"
-"NSC38112","","","","","","","","","","","","","","","","","","","","NSC38112","","CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl.Cl","DXODNHNJCAYZNP-UHFFFAOYSA-N","24185158",NA,"PDBC44005","38112","Present"
-"NSC38114","","","","","","","","","","","","","","","","","","","","NSC38114","","CC1=C2C(=C(C=C1)NCCN(C)CC(C)O)C(=O)C3=C(S2)C=C(C=C3)Cl.Cl","XFGAACLHEONUAK-UHFFFAOYSA-N","24185160",NA,"PDBC44006","38114","Present"
-"NSC382006","","","","","","","","","","","","","","","","","","","","NSC382006","","CN(C)CC(=C)C(=O)C1=CC2=C(C=C1)OCO2.Cl","APNJOAQCZXSLDR-UHFFFAOYSA-N","13958701",NA,"PDBC44007","382006","Present"
-"NSC383468","","","","","","","","","","","","","","","","","","","","NSC383468","","CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O","BOJKULTULYSRAS-ACAGNQJTSA-N","5351335",NA,"PDBC44008","383468","Present"
-"NSC38347","","","","","","","","","","","","","","","","","","","","NSC38347","","CN1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C.Cl","VPNGEOUVHXZQCM-UHFFFAOYSA-N","54609485",NA,"PDBC44009","38347","Present"
-"NSC38850","","","","","","","","","","","","","","","","","","","","NSC38850","","CN(C)CCCN1C=NC2=CC(=C(C=C21)Cl)Cl.Cl","WQYCSKKKXXBHTJ-UHFFFAOYSA-N","24185225",NA,"PDBC44010","38850","Present"
-"NSC38852","","","","","","","","","","","","","","","","","","","","NSC38852","","CC1=NC2=C(N1CCCN(C)C)C(=CC=C2)[N+](=O)[O-].[Cl-]","YQAVMYKFLZBWPN-UHFFFAOYSA-M","24185226",NA,"PDBC44011","38852","Present"
-"NSC39215","","","","","","","","","","","","","","","","","","","","NSC39215","","CNCC(C1=CC(=C(C=C1)O)O)SC.Cl","JEEODWQNJMOSAF-UHFFFAOYSA-N","54605586",NA,"PDBC44012","39215","Present"
-"NSC39356","","","","","","","","","","","","","","","","","","","","NSC39356","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCCCN(CCCNC3=C(C(=O)C4=CC=CC=C4C3=O)Cl)C5=C(C(=O)C6=CC=CC=C6C5=O)Cl","WPEZOOKOOQUGNC-UHFFFAOYSA-N","236659",NA,"PDBC44013","39356","Present"
-"NSC39621","","","","","","","","","","","","","","","","","","","","NSC39621","","C1=CC(=CC=C1SS(=O)(=O)C2=CC=C(C=C2)Cl)Cl","HKRKZYSYVNYGRL-UHFFFAOYSA-N","95850",NA,"PDBC44014","39621","Present"
-"NSC39779","","","","","","","","","","","","","","","","","","","","NSC39779","","C1=CC(=CC=C1C(=CC(=O)C(=O)O)O)Br","IONNFJJWSQNFPW-YVMONPNESA-N","5351763",NA,"PDBC44015","39779","Present"
-"NSC400078","","","","","","","","","","","","","","","","","","","","NSC400078","","","","",NA,"PDBC44016","400078","Present"
-"NSC400313","","","","","","","","","","","","","","","","","","","","NSC400313","","C1=CSC(=C1)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl","QCHFKTJHJVDSFF-XQRVVYSFSA-N","54611125",NA,"PDBC44017","400313","Present"
-"NSC403170","","","","","","","","","","","","","","","","","","","","NSC403170","","","","",NA,"PDBC44018","403170","Present"
-"NSC40333","","","","","","","","","","","","","","","","","","","","NSC40333","","CCCCCCCCN(CCCCCCCC)CC(C1=CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3)O.Cl","SMOMRONRIQUODS-UHFFFAOYSA-N","53423347",NA,"PDBC44019","40333","Present"
-"NSC403822","","","","","","","","","","","","","","","","","","","","NSC403822","","CC(=NO)C1=CC=CC=[N+]1CC2=CC=CC=C2.[Br-]","PFYWDZGHYNVUHZ-UHFFFAOYSA-N","135502436",NA,"PDBC44020","403822","Present"
-"NSC404141","","","","","","","","","","","","","","","","","","","","NSC404141","","C1(C(C(=C(C(=O)C1(Cl)Cl)Cl)Cl)(Cl)Cl)Cl","RYTIMFVQZPTFSL-UHFFFAOYSA-N","243411",NA,"PDBC44021","404141","Present"
-"NSC405646","","","","","","","","","","","","","","","","","","","","NSC405646","","","","",NA,"PDBC44022","405646","Present"
-"NSC405944","","","","","","","","","","","","","","","","","","","","NSC405944","","C1=CC=C(C=C1)NN=CC(=NNC2=CC=CC=C2)C(C(C(COC3C(C(C(C(O3)CO)O)O)O)O)O)O","WLANDTMKELMBJW-DMYHQRBDSA-N","9614326",NA,"PDBC44023","405944","Present"
-"NSC405955","","","","","","","","","","","","","","","","","","","","NSC405955","","C1=CC=C(C=C1)C(=O)OCC(C(C(C2=NN(N=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","BAKVUGKREKGLDW-UHFFFAOYSA-N","244850",NA,"PDBC44024","405955","Present"
-"NSC407008","","","","","","","","","","","","","","","","","","","","NSC407008","","CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)Cl","JGYFBXILBKWGBN-UHFFFAOYSA-N","239113",NA,"PDBC44025","407008","Present"
-"NSC407396","","","","","","","","","","","","","","","","","","","","NSC407396","","","","",NA,"PDBC44026","407396","Present"
-"NSC408090","","","","","","","","","","","","","","","","","","","","NSC408090","","C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=S)N","BPZXYEUJBFHASJ-UHFFFAOYSA-N","4269332",NA,"PDBC44027","408090","Present"
-"NSC408169","","","","","","","","","","","","","","","","","","","","NSC408169","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC.[Co]","ZGLMEXMQWMFOJI-UHFFFAOYSA-N","54607967",NA,"PDBC44028","408169","Present"
-"NSC408400","","","","","","","","","","","","","","","","","","","","NSC408400","","CN(C)C1=C(C=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N","ZPIGNYBULUNTNI-VQHVLOKHSA-N","5953157",NA,"PDBC44029","408400","Present"
-"NSC409953","","","","","","","","","","","","","","","","","","","","NSC409953","","CN(C)CCN(C1=CC=CC=N1)C2=CC=CC=N2.Cl","WWQJNMJLWZNVLS-UHFFFAOYSA-N","24201378",NA,"PDBC44030","409953","Present"
-"NSC41140","","","","","","","","","","","","","","","","","","","","NSC41140","","CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=CC(=C3)Cl.Cl","DJJJZEDUUGTMFZ-UHFFFAOYSA-N","24185579",NA,"PDBC44031","41140","Present"
-"NSC41499","","","","","","","","","","","","","","","","","","","","NSC41499","","COC1=CC=C(C=C1)CC(CN2CCOCC2)O.Cl","AYSYERIDNFDWAY-UHFFFAOYSA-N","53422164",NA,"PDBC44032","41499","Present"
-"NSC42255","","","","","","","","","","","","","","","","","","","","NSC42255","","CN(C)C(=O)C1CCN(CC1)CC2=CNC3=CC=CC=C32.Cl","TXJVCDKCYRZPQC-UHFFFAOYSA-N","3030442",NA,"PDBC44033","42255","Present"
-"NSC42258","","","","","","","","","","","","","","","","","","","","NSC42258","","C1CN(CCN1CC2=CNC3=CC=CC=C32)CC4=CNC5=CC=CC=C54.Cl","PHCCXUXQDSVVRI-UHFFFAOYSA-N","54603442",NA,"PDBC44034","42258","Present"
-"NSC42371","","","","","","","","","","","","","","","","","","","","NSC42371","","C1=CC(=C(C=C1O)O)C=NNC2=NC=C(C=C2)[N+](=O)[O-]","VMBSMRLYXJOQEZ-NSIKDUERSA-N","135538373",NA,"PDBC44035","42371","Present"
-"NSC42856","","","","","","","","","","","","","","","","","","","","NSC42856","","COC1=CC=CC(=C1O)C=NNC2=NC=C(C=C2)[N+](=O)[O-]","XPQRYAAEEVHBLQ-CHHVJCJISA-N","135538375",NA,"PDBC44036","42856","Present"
-"NSC43176","","","","","","","","","","","","","","","","","","","","NSC43176","","CN(C)CCCSC1=NC2=CC=CC=C2N1.Cl","BRQARLKMRIAZOU-UHFFFAOYSA-N","54609154",NA,"PDBC44037","43176","Present"
-"NSC44181","","","","","","","","","","","","","","","","","","","","NSC44181","","CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl[Sb](Cl)Cl","FNEYKZLJRJNCTH-UHFFFAOYSA-K","54703986",NA,"PDBC44038","44181","Present"
-"NSC45741","","","","","","","","","","","","","","","","","","","","NSC45741","","C1=CC=C2C(=C1)N=C(S2)C(C(C(C(C(=O)O)O)O)O)O.[Na+]","SYCHXWYJEUOGTJ-UHFFFAOYSA-N","54605399",NA,"PDBC44039","45741","Present"
-"NSC46080","","","","","","","","","","","","","","","","","","","","NSC46080","","CN(CCC(=O)O)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3.[Na+]","DKTAJGBZUYAEQZ-UHFFFAOYSA-N","54599787",NA,"PDBC44040","46080","Present"
-"NSC46691","","","","","","","","","","","","","","","","","","","","NSC46691","","C1=CC(=C(C=C1Cl)Cl)C=NN=C(C(=NN=CC2=C(C=C(C=C2)Cl)Cl)N)N","LHLILJDDFIBWMO-YLSUZJBISA-N","54609615",NA,"PDBC44041","46691","Present"
-"NSC4722","","","","","","","","","","","","","","","","","","","","NSC4722","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)CO)OCC(C(C(C=O)O)O)O","UYKVHRDZCLQKBM-UHFFFAOYSA-N","221037",NA,"PDBC44042","4722","Present"
-"NSC47326","","","","","","","","","","","","","","","","","","","","NSC47326","","CCC(CN(C)C)C(=O)C1=CC=CO1.Cl","LTWMSUNONQPKOH-UHFFFAOYSA-N","54609644",NA,"PDBC44043","47326","Present"
-"NSC47915","","","","","","","","","","","","","","","","","","","","NSC47915","","CC1=CC(=C(C(=C1)CN(C)CC2=C(C(=CC(=C2)Cl)Cl)O)O)C","ZYFVGABFAJUTDB-UHFFFAOYSA-N","240936",NA,"PDBC44044","47915","Present"
-"NSC47935","","","","","","","","","","","","","","","","","","","","NSC47935","","CC(C)(C)C1=CC(=C(C(=C1)CN(C)C)O)CNC2CCCCC2.Cl","MGOSYWNMYFNHQD-UHFFFAOYSA-N","54609732",NA,"PDBC44045","47935","Present"
-"NSC47949","","","","","","","","","","","","","","","","","","","","NSC47949","","C1CCC(CC1)N(CC2=C(C=CC3=CC=CC=C32)O)CC4=C(C=CC5=CC=CC=C54)O.Cl","QNGPZHKMLNQXSN-UHFFFAOYSA-N","54605403",NA,"PDBC44046","47949","Present"
-"NSC48235","","","","","","","","","","","","","","","","","","","","NSC48235","","C1=CC=C(C(=C1)C=NNC(=O)NN=CC2=CC=CC=C2O)O","MRETZGWZOKFPDX-CZCYGEDCSA-N","135408529",NA,"PDBC44047","48235","Present"
-"NSC48444","","","","","","","","","","","","","","","","","","","","NSC48444","","C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)CCl)O)O)CC3=C(C(=CC(=C3)Cl)CCl)O)Cl","PGSQWZBMZFWBJU-UHFFFAOYSA-N","241218",NA,"PDBC44048","48444","Present"
-"NSC48521","","","","","","","","","","","","","","","","","","","","NSC48521","","C1CN=C(N1)SCC(=O)O.Cl","IBXKMJZFVHYXRS-UHFFFAOYSA-N","54605425",NA,"PDBC44049","48521","Present"
-"NSC48630","","","","","","","","","","","","","","","","","","","","NSC48630","","CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C(=O)CCN(C)C)O)C)O.Cl","ITJYICNOKTXDAO-FGOHFILZSA-N","54611667",NA,"PDBC44050","48630","Present"
-"NSC49689","","","","","","","","","","","","","","","","","","","","NSC49689","","C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3NC(=O)C=CC(=O)O","MTJNOPNRCBONSQ-CMDGGOBGSA-N","5356053",NA,"PDBC44051","49689","Present"
-"NSC50974","","","","","","","","","","","","","","","","","","","","NSC50974","","","","",NA,"PDBC44052","50974","Present"
-"NSC51023","","","","","","","","","","","","","","","","","","","","NSC51023","","C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)O","BGWUJSKRJRJTAR-UHFFFAOYSA-N","242416",NA,"PDBC44053","51023","Present"
-"NSC51357","","","","","","","","","","","","","","","","","","","","NSC51357","","C1CN=C(N1)SCCC(=O)O.Cl","PVMYWLRMWNDTSM-UHFFFAOYSA-N","54609807",NA,"PDBC44054","51357","Present"
-"NSC52389","","","","","","","","","","","","","","","","","","","","NSC52389","","C1CCN(CC1)CC2=C(NC(=O)NC2=O)C(=O)O.Cl","PMOHGEADWBPVNM-UHFFFAOYSA-N","54609893",NA,"PDBC44055","52389","Present"
-"NSC56544","","","","","","","","","","","","","","","","","","","","NSC56544","","C1=CC=C2C(=C1)C(=O)C(=CC3=CC=CS3)O2","ISQISRDFDBUCKK-XYOKQWHBSA-N","54609678",NA,"PDBC44056","56544","Present"
-"NSC56998","","","","","","","","","","","","","","","","","","","","NSC56998","","CC1=CC(=NC(=N1)SC)NC2=CC(=C(C=C2)O)CN3CCOCC3.Cl","GWKZCIFQTBGPGJ-UHFFFAOYSA-N","54609708",NA,"PDBC44057","56998","Present"
-"NSC57715","","","","","","","","","","","","","","","","","","","","NSC57715","","C1=C(C=C(C(=C1C(C2=C(C(=CC(=C2)Cl)Br)O)C(Cl)(Cl)Cl)O)Br)Cl","FCWMYJCEDIULDO-UHFFFAOYSA-N","245607",NA,"PDBC44058","57715","Present"
-"NSC59276","","","","","","","","","","","","","","","","","","","","NSC59276","","CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)N5CC6=C(C=CC(=C6)OC)OC5","JVEDHWWWBFCUKI-SPEGKSIMSA-N","246334",NA,"PDBC44059","59276","Present"
-"NSC600019","","","","","","","","","","","","","","","","","","","","NSC600019","","C1=CC(=NC=C1NN=O)SC2=NC=C(C=C2)NN=O.[Na+]","DICDGRUMPFMJDQ-UHFFFAOYSA-N","54608016",NA,"PDBC44060","600019","Present"
-"NSC600220","","","","","","","","","","","","","","","","","","","","NSC600220","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","RBNOJYDPFALIQZ-VXXAQSFKSA-N","6711254",NA,"PDBC44061","600220","Present"
-"NSC600223","","","","","","","","","","","","","","","","","","","","NSC600223","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)CCC(=O)O)C)OC(=O)C.[Na+]","UWKKVCPFVCFRML-OKXCIUBDSA-N","54608020",NA,"PDBC44062","600223","Present"
-"NSC600267","","","","","","","","","","","","","","","","","","","","NSC600267","","C1=CC2C3C(C1C4C2C(=O)N(C4=O)COP(=O)(O)O)C5C3C(=O)N(C5=O)COP(=O)(O)O.[Na+]","KMYLYKRPWLNOGW-UHFFFAOYSA-N","54608831",NA,"PDBC44063","600267","Present"
-"NSC600300","","","","","","","","","","","","","","","","","","","","NSC600300","","","","",NA,"PDBC44064","600300","Present"
-"NSC600301","","","","","","","","","","","","","","","","","","","","NSC600301","","","","",NA,"PDBC44065","600301","Present"
-"NSC600881","","","","","","","","","","","","","","","","","","","","NSC600881","","CCOC(=O)C(=C(C)NC1=NC2=C(S1)C=CC3=CC=CC=C32)Cl","ORANXPAQAAJTLA-UVTDQMKNSA-N","5927129",NA,"PDBC44066","600881","Present"
-"NSC602077","","","","","","","","","","","","","","","","","","","","NSC602077","","C1CCC(CC1)N.C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CP(=O)(O)O","QLQOUZZUMLLLFR-UHFFFAOYSA-N","353538",NA,"PDBC44067","602077","Present"
-"NSC602341","","","","","","","","","","","","","","","","","","","","NSC602341","","CC1C(C2=CC3=C(C=C2OC1(C)O)OCO3)C4=C(C(=CC=C4)OC)O","XVACPSXAAOKKMX-UHFFFAOYSA-N","146662",NA,"PDBC44068","602341","Present"
-"NSC602347","","","","","","","","","","","","","","","","","","","","NSC602347","","","","",NA,"PDBC44069","602347","Present"
-"NSC602949","","","","","","","","","","","","","","","","","","","","NSC602949","","","","",NA,"PDBC44070","602949","Present"
-"NSC603084","","","","","","","","","","","","","","","","","","","","NSC603084","","C(C(=C(COC1C(=C(C(=O)O1)Cl)Cl)Br)Br)OC2C(=C(C(=O)O2)Cl)Cl","XYLUKYYLCTWKPE-ONEGZZNKSA-N","3005840",NA,"PDBC44071","603084","Present"
-"NSC603086","","","","","","","","","","","","","","","","","","","","NSC603086","","C(C(=C(COC1C(=C(C(=O)O1)Cl)Cl)Br)Br)OC2C(=C(C(=O)O2)Cl)Cl","XYLUKYYLCTWKPE-ARJAWSKDSA-N","21141102",NA,"PDBC44072","603086","Present"
-"NSC603169","","","","","","","","","","","","","","","","","","","","NSC603169","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C=CC=NNC(=O)C4=CC=C(C=C4)C(=O)NN=CC=CC5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C","RPKVXSPVISGXRF-FDJNRJMHSA-O","6326622",NA,"PDBC44073","603169","Present"
-"NSC603539","","","","","","","","","","","","","","","","","","","","NSC603539","","","","",NA,"PDBC44074","603539","Present"
-"NSC604294","","","","","","","","","","","","","","","","","","","","NSC604294","","CCN(CC)CCN(C)CC(C)(C)C(=O)C=CC1=CC=CC=C1.Br","NPIWDNQSNBNJKI-IERUDJENSA-N","6514962",NA,"PDBC44075","604294","Present"
-"NSC604536","","","","","","","","","","","","","","","","","","","","NSC604536","","CC(CS)C(=O)N1C(CC2=CC=CC=C21)C(=O)O","XYVFGQVIZOKXTN-KCJUWKMLSA-N","132919",NA,"PDBC44076","604536","Present"
-"NSC605608","","","","","","","","","","","","","","","","","","","","NSC605608","","C1=CC=C(C=C1)C2=CN=C(N2)CCN3C(=O)C4=CC=CC=C4C3=O.Cl","FUXBDQJNYDNWOJ-UHFFFAOYSA-N","354323",NA,"PDBC44077","605608","Present"
-"NSC606172","","","","","","","","","","","","","","","","","","","","NSC606172","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C=CC5=C4)C=O)O","AMDHQGZVCWWZCS-UHFFFAOYSA-N","184077",NA,"PDBC44078","606172","Present"
-"NSC606295","","","","","","","","","","","","","","","","","","","","NSC606295","","CC1=CC=C(C=C1)S(=O)(=O)O.C1CN=C(N1)NNC2=CC=CC=C2","RBUPXUCLAXBZFH-UHFFFAOYSA-N","354407",NA,"PDBC44079","606295","Present"
-"NSC606499","","","","","","","","","","","","","","","","","","","","NSC606499","","CCCCNCC(=O)OC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)CC.Cl","POYSNWNGOJKQBS-SNYZSRNZSA-N","11969639",NA,"PDBC44080","606499","Present"
-"NSC606534","","","","","","","","","","","","","","","","","","","","NSC606534","","CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)O.[Na+]","PCDDMPBOIIIVPA-UHFFFAOYSA-N","54608724",NA,"PDBC44081","606534","Present"
-"NSC606536","","","","","","","","","","","","","","","","","","","","NSC606536","","COC1=C(C=C(C=C1)S(=O)(=O)O)N2N=C(N=[N+]2C3=C(C=CC(=C3)S(=O)(=O)[O-])OC)C(=O)NC4=CC=CC=C4.[Na+]","WLEJFOQSZUIVCS-UHFFFAOYSA-N","54600712",NA,"PDBC44082","606536","Present"
-"NSC606538","","","","","","","","","","","","","","","","","","","","NSC606538","","CN(C)CCN(C)CCC(=O)C=CC1=CC=CC=C1.Cl","UIUCSYWTUCPQNJ-RRABGKBLSA-N","6515042",NA,"PDBC44083","606538","Present"
-"NSC607088","","","","","","","","","","","","","","","","","","","","NSC607088","","","","",NA,"PDBC44084","607088","Present"
-"NSC607281","","","","","","","","","","","","","","","","","","","","NSC607281","","","","",NA,"PDBC44085","607281","Present"
-"NSC607633","","","","","","","","","","","","","","","","","","","","NSC607633","","CN(C)C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO","CNRXXRJDMFDIEY-UHFFFAOYSA-N","354915",NA,"PDBC44086","607633","Present"
-"NSC607740","","","","","","","","","","","","","","","","","","","","NSC607740","","C1=CC=C2C(=C1)C=CC3=C2NC(=C3)C=C[N+](=O)[O-]","MCLUSZHHINDIQS-BQYQJAHWSA-N","5927535",NA,"PDBC44087","607740","Present"
-"NSC607957","","","","","","","","","","","","","","","","","","","","NSC607957","","CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)N=C2C=C(C(=O)C(=C2)Br)Br.[Na+]","CWYYETRODOOCRC-UHFFFAOYSA-N","54608794",NA,"PDBC44088","607957","Present"
-"NSC608465","","","","","","","","","","","","","","","","","","","","NSC608465","","","","",NA,"PDBC44089","608465","Present"
-"NSC608623","","","","","","","","","","","","","","","","","","","","NSC608623","","CCCN1C(=C(N=C1SC)COC(=O)NC)COC(=O)NC.Cl","KAJUBBSBZCSJFM-UHFFFAOYSA-N","355281",NA,"PDBC44090","608623","Present"
-"NSC608624","","","","","","","","","","","","","","","","","","","","NSC608624","","CCCSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC.Cl","FQLJLLXWBOAETM-UHFFFAOYSA-N","355283",NA,"PDBC44091","608624","Present"
-"NSC608625","","","","","","","","","","","","","","","","","","","","NSC608625","","CCCCCCN1C(=C(N=C1SC)COC(=O)NC)COC(=O)NC.Cl","NTQSKZLGSFCANV-UHFFFAOYSA-N","355285",NA,"PDBC44092","608625","Present"
-"NSC608626","","","","","","","","","","","","","","","","","","","","NSC608626","","CCCCCCSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC.Cl","LZWBLRLFWPMOSM-UHFFFAOYSA-N","355287",NA,"PDBC44093","608626","Present"
-"NSC608970","","","","","","","","","","","","","","","","","","","","NSC608970","","","","",NA,"PDBC44094","608970","Present"
-"NSC608971","","","","","","","","","","","","","","","","","","","","NSC608971","","","","",NA,"PDBC44095","608971","Present"
-"NSC608975","","","","","","","","","","","","","","","","","","","","NSC608975","","","","",NA,"PDBC44096","608975","Present"
-"NSC608979","","","","","","","","","","","","","","","","","","","","NSC608979","","","","",NA,"PDBC44097","608979","Present"
-"NSC609075","","","","","","","","","","","","","","","","","","","","NSC609075","","CS(=O)(=O)OCC1C(CC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C","HFBCERYJWAHIRX-UHFFFAOYSA-N","355457",NA,"PDBC44098","609075","Present"
-"NSC609077","","","","","","","","","","","","","","","","","","","","NSC609077","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)O)O","QYIWBMZXHWIGQY-UHFFFAOYSA-N","355459",NA,"PDBC44099","609077","Present"
-"NSC609965","","","","","","","","","","","","","","","","","","","","NSC609965","","CCN1CCC(C(C1)C(=O)C=CC2=CC=CC=C2)(C=CC3=CC=CC=C3)O.Cl","AFYHEZIYIWGBKO-CKUBSENYSA-N","5386429",NA,"PDBC44100","609965","Present"
-"NSC610898","","","","","","","","","","","","","","","","","","","","NSC610898","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CN2C=C1C=CC3=CC=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)C(=O)NN=CC5=CC=C(C=C5)C=CC6=CN7C=CC=CC7=[N+]6C","NBAKVSRWXPWKMT-VKPFQMHQSA-O","54602220",NA,"PDBC44101","610898","Present"
-"NSC611400","","","","","","","","","","","","","","","","","","","","NSC611400","","COC1=CC2=C(CCC3C2OCCN3)C=C1.Cl","WICOLYXLUGQKHB-UHFFFAOYSA-N","356245",NA,"PDBC44102","611400","Present"
-"NSC612115","","","","","","","","","","","","","","","","","","","","NSC612115","","CCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)OC)NC(=O)C)OC)OC","YLBOJVNAUCVADO-UHFFFAOYSA-N","356433",NA,"PDBC44103","612115","Present"
-"NSC612116","","","","","","","","","","","","","","","","","","","","NSC612116","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC(=O)C)OC(=O)C","JOXUTUJJDZMYKT-UHFFFAOYSA-N","356434",NA,"PDBC44104","612116","Present"
-"NSC613004","","","","","","","","","","","","","","","","","","","","NSC613004","","CC(C)(C)[Si](C)(C)OCC1CCC(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4","VAIZBQSGURYFDL-UHFFFAOYSA-N","356581",NA,"PDBC44105","613004","Present"
-"NSC613239","","","","","","","","","","","","","","","","","","","","NSC613239","","C(C1C(C(C(N1)CO)O)O)O.Cl","ASOISZHLRDHELT-MYWCFQFNSA-N","11969712",NA,"PDBC44106","613239","Present"
-"NSC613257","","","","","","","","","","","","","","","","","","","","NSC613257","","C1=CC=C(C=C1)NC(=O)C2=NN([N+](=N2)C3=CC(=C(C=C3Cl)[N+](=O)[O-])S(=O)(=O)[O-])C4=CC(=C(C=C4Cl)[N+](=O)[O-])S(=O)(=O)O.[Na+]","SLFUPJGIDHSTLY-UHFFFAOYSA-N","54608037",NA,"PDBC44107","613257","Present"
-"NSC613258","","","","","","","","","","","","","","","","","","","","NSC613258","","COC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C4=CC=CC=C4)S(=O)(=O)O)[N+](=O)[O-].[Na+]","ITBYFWLXDJCILX-UHFFFAOYSA-N","54604819",NA,"PDBC44108","613258","Present"
-"NSC613259","","","","","","","","","","","","","","","","","","","","NSC613259","","COC1=CC(=C(C=C1[N+]2=NC(=NN2C3=CC(=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC4=CC=CC=C4)S(=O)(=O)O)[N+](=O)[O-].[Na+]","OVDIYQZDDZYZAR-UHFFFAOYSA-N","54602075",NA,"PDBC44109","613259","Present"
-"NSC613528","","","","","","","","","","","","","","","","","","","","NSC613528","","CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CN(C3=CC=CC=C32)C=O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N","BVUSRTSLMJGFEQ-VMQMXEQASA-N","6711286",NA,"PDBC44110","613528","Present"
-"NSC613529","","","","","","","","","","","","","","","","","","","","NSC613529","","CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N","XXFIWKDBCZWORZ-KNELAETQSA-N","6711287",NA,"PDBC44111","613529","Present"
-"NSC613666","","","","","","","","","","","","","","","","","","","","NSC613666","","","","",NA,"PDBC44112","613666","Present"
-"NSC613668","","","","","","","","","","","","","","","","","","","","NSC613668","","","","",NA,"PDBC44113","613668","Present"
-"NSC613669","","","","","","","","","","","","","","","","","","","","NSC613669","","","","",NA,"PDBC44114","613669","Present"
-"NSC613678","","","","","","","","","","","","","","","","","","","","NSC613678","","","","",NA,"PDBC44115","613678","Present"
-"NSC614339","","","","","","","","","","","","","","","","","","","","NSC614339","","","","",NA,"PDBC44116","614339","Present"
-"NSC614496","","","","","","","","","","","","","","","","","","","","NSC614496","","COC1=CC(=CC(=C1O)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O","RFDMNXDDRXVJTM-SDLZTHIVSA-N","356942",NA,"PDBC44117","614496","Present"
-"NSC614641","","","","","","","","","","","","","","","","","","","","NSC614641","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N","OLCWZBFDIYXLAA-UHFFFAOYSA-N","4798",NA,"PDBC44118","614641","Present"
-"NSC614643","","","","","","","","","","","","","","","","","","","","NSC614643","","CCC(C1=CC=C(C=C1)Cl)(C(=O)OCC2=CC[N+]3(C2C(CC3)OC(=O)NCC)[O-])O","SEONMYOZACKEOS-HNWIOCRDSA-N","357033",NA,"PDBC44119","614643","Present"
-"NSC614644","","","","","","","","","","","","","","","","","","","","NSC614644","","CCC(C1=CC=C(C=C1)Cl)(C(=O)OCC2=CC[N+]3(C2C(CC3)OC(=O)NC4=CC=CC=C4)[O-])O","CGYCEJGQMYDKDT-AYPIWINMSA-N","357034",NA,"PDBC44120","614644","Present"
-"NSC614936","","","","","","","","","","","","","","","","","","","","NSC614936","","C1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O","KRWWFHKPTRHVMD-UHFFFAOYSA-N","357103",NA,"PDBC44121","614936","Present"
-"NSC614937","","","","","","","","","","","","","","","","","","","","NSC614937","","C1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)I","OLTSJGCPXISYSI-UHFFFAOYSA-N","357104",NA,"PDBC44122","614937","Present"
-"NSC614997","","","","","","","","","","","","","","","","","","","","NSC614997","","C1C2CC3C4C1C5CC(C4)C(C3C5C2)N=[N+]=[N-]","CVWSCSWWTNHQQQ-OFNAHGGTSA-N","6711293",NA,"PDBC44123","614997","Present"
-"NSC615008","","","","","","","","","","","","","","","","","","","","NSC615008","","","","",NA,"PDBC44124","615008","Present"
-"NSC615537","","","","","","","","","","","","","","","","","","","","NSC615537","","","","",NA,"PDBC44125","615537","Present"
-"NSC615539","","","","","","","","","","","","","","","","","","","","NSC615539","","","","",NA,"PDBC44126","615539","Present"
-"NSC616254","","","","","","","","","","","","","","","","","","","","NSC616254","","CC1=C[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]","GCHXTXANQXAXMS-UHFFFAOYSA-M","357424",NA,"PDBC44127","616254","Present"
-"NSC616255","","","","","","","","","","","","","","","","","","","","NSC616255","","CC1=C[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[I-]","BMIDKCKALVWUBC-UHFFFAOYSA-M","357426",NA,"PDBC44128","616255","Present"
-"NSC616267","","","","","","","","","","","","","","","","","","","","NSC616267","","CC1CC[P+](C1)(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]","RAPVLTXLHVNJRO-IFWFERPOSA-M","357438",NA,"PDBC44129","616267","Present"
-"NSC616950","","","","","","","","","","","","","","","","","","","","NSC616950","","C1COCCN1C2=CC3=C(C=C2)N=C4NC(=O)CN4C3.Cl","QCBCWLWQINDFMD-UHFFFAOYSA-N","135455576",NA,"PDBC44130","616950","Present"
-"NSC616951","","","","","","","","","","","","","","","","","","","","NSC616951","","CN(C)CCSC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3.Cl","PHQDQTPMRIVVCQ-UHFFFAOYSA-N","357522",NA,"PDBC44131","616951","Present"
-"NSC617269","","","","","","","","","","","","","","","","","","","","NSC617269","","CC1=CC2(CCC1C(C2C(=O)OC)OCC3=CC=CC=C3)OC","ULJICKZWPMDBRR-UHFFFAOYSA-N","357747",NA,"PDBC44132","617269","Present"
-"NSC617362","","","","","","","","","","","","","","","","","","","","NSC617362","","C[Si](C)(C)C(=CCCN1C(=O)CCC1=O)Br","YOAKEIQJACQIAU-UITAMQMPSA-N","5386725",NA,"PDBC44133","617362","Present"
-"NSC617367","","","","","","","","","","","","","","","","","","","","NSC617367","","C[Si](C)(C)C(=CCCN1C(CCC1=O)O)Br","BNVUDOZPFQOEMF-UITAMQMPSA-N","5386728",NA,"PDBC44134","617367","Present"
-"NSC617394","","","","","","","","","","","","","","","","","","","","NSC617394","","CC(=O)OCCC(C(C)(C)OCOCCOC)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C","FHDHCJJXYVBNNE-SANMLTNESA-N","357861",NA,"PDBC44135","617394","Present"
-"NSC617407","","","","","","","","","","","","","","","","","","","","NSC617407","","CC1C2C(=C3SCCCS3)CCCN2C(=O)O1","RWGQNALFPBAKMF-PEHGTWAWSA-N","6711309",NA,"PDBC44136","617407","Present"
-"NSC617408","","","","","","","","","","","","","","","","","","","","NSC617408","","CC1C(=O)N(C(=O)O1)CCCC=C2SCCCS2","IDUAPOIXAPYQRC-UHFFFAOYSA-N","357874",NA,"PDBC44137","617408","Present"
-"NSC617422","","","","","","","","","","","","","","","","","","","","NSC617422","","CCCCC(C#C)OC(=O)NC(C)C1=CC=CC=C1","MDBQWBJLGLIFOH-HIFRSBDPSA-N","6711310",NA,"PDBC44138","617422","Present"
-"NSC617423","","","","","","","","","","","","","","","","","","","","NSC617423","","CCCCC(C#C)OC(=O)NC(C)C1=CC=CC=C1","MDBQWBJLGLIFOH-UKRRQHHQSA-N","6711311",NA,"PDBC44139","617423","Present"
-"NSC617541","","","","","","","","","","","","","","","","","","","","NSC617541","","CCCCCCC=CCCCCCCCCC(=O)C1=C(C(=CC=C1)OC)OC","WKMIZTKNDGODPV-KTKRTIGZSA-N","5386744",NA,"PDBC44140","617541","Present"
-"NSC617562","","","","","","","","","","","","","","","","","","","","NSC617562","","","","",NA,"PDBC44141","617562","Present"
-"NSC617563","","","","","","","","","","","","","","","","","","","","NSC617563","","","","",NA,"PDBC44142","617563","Present"
-"NSC617569","","","","","","","","","","","","","","","","","","","","NSC617569","","","","",NA,"PDBC44143","617569","Present"
-"NSC617571","","","","","","","","","","","","","","","","","","","","NSC617571","","","","",NA,"PDBC44144","617571","Present"
-"NSC617572","","","","","","","","","","","","","","","","","","","","NSC617572","","","","",NA,"PDBC44145","617572","Present"
-"NSC617600","","","","","","","","","","","","","","","","","","","","NSC617600","","COC(=O)C1=CC(C(CC1SC2=CC=CC=C2)C(=O)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","HFQYUNDUMPKYGX-HEIUKZKOSA-N","357932",NA,"PDBC44146","617600","Present"
-"NSC617643","","","","","","","","","","","","","","","","","","","","NSC617643","","COC(C1=CC2=C(C=C1C(=O)C34CCCC3NC(=O)O4)OCO2)OC","LLZYNNDGOUMXJY-SUMWQHHRSA-N","6711317",NA,"PDBC44147","617643","Present"
-"NSC617669","","","","","","","","","","","","","","","","","","","","NSC617669","","CCOC(=O)C(C)(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(N=C3NC(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5","UFOWYYXCWHKPMB-UHFFFAOYSA-N","357990",NA,"PDBC44148","617669","Present"
-"NSC617841","","","","","","","","","","","","","","","","","","","","NSC617841","","","","",NA,"PDBC44149","617841","Present"
-"NSC617998","","","","","","","","","","","","","","","","","","","","NSC617998","","C1=C(N=C(S1)C2C(C(C(O2)COP(=O)(CP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)O)C(=O)N","CRWWKLKZKYLFQV-UHFFFAOYSA-N","356935",NA,"PDBC44150","617998","Present"
-"NSC618101","","","","","","","","","","","","","","","","","","","","NSC618101","","COC1=C(C=CC(=C1)C2C3C(C(OC3=O)C4=CC(=C(C=C4)O)OC)C(=O)O2)O","DNJFYRXUTBVKIJ-FOIPXRHGSA-N","358210",NA,"PDBC44151","618101","Present"
-"NSC618142","","","","","","","","","","","","","","","","","","","","NSC618142","","","","",NA,"PDBC44152","618142","Present"
-"NSC618143","","","","","","","","","","","","","","","","","","","","NSC618143","","","","",NA,"PDBC44153","618143","Present"
-"NSC618823","","","","","","","","","","","","","","","","","","","","NSC618823","","","","",NA,"PDBC44154","618823","Present"
-"NSC618824","","","","","","","","","","","","","","","","","","","","NSC618824","","","","",NA,"PDBC44155","618824","Present"
-"NSC618825","","","","","","","","","","","","","","","","","","","","NSC618825","","","","",NA,"PDBC44156","618825","Present"
-"NSC618826","","","","","","","","","","","","","","","","","","","","NSC618826","","","","",NA,"PDBC44157","618826","Present"
-"NSC61900","","","","","","","","","","","","","","","","","","","","NSC61900","","C1=CC=C(C=C1)C2(C3=C(C4=C(C=CC(=C4)F)C=C3)C(=O)O2)C5=CC=CC=C5","PSZLGKPDSWMVQI-UHFFFAOYSA-N","247416",NA,"PDBC44158","61900","Present"
-"NSC619058","","","","","","","","","","","","","","","","","","","","NSC619058","","","","",NA,"PDBC44159","619058","Present"
-"NSC619173","","","","","","","","","","","","","","","","","","","","NSC619173","","CC(C)(C)OC(=O)N1C2CCCC23C(=O)C4=CC5=C(C=C4C1O3)OCO5","ZWQNJNZGIAJSHJ-NLGTXKQRSA-N","6711328",NA,"PDBC44160","619173","Present"
-"NSC619184","","","","","","","","","","","","","","","","","","","","NSC619184","","","","",NA,"PDBC44161","619184","Present"
-"NSC619187","","","","","","","","","","","","","","","","","","","","NSC619187","","","","",NA,"PDBC44162","619187","Present"
-"NSC619188","","","","","","","","","","","","","","","","","","","","NSC619188","","","","",NA,"PDBC44163","619188","Present"
-"NSC619215","","","","","","","","","","","","","","","","","","","","NSC619215","","COC1=C(C=C(C=C1)C2C(C(=CC3=CC(=C(C=C23)OC)OC)C(=O)OC)C(=O)OC)OC","GACCWDXUFWMHRD-HMTLIYDFSA-N","359003",NA,"PDBC44164","619215","Present"
-"NSC619296","","","","","","","","","","","","","","","","","","","","NSC619296","","","","",NA,"PDBC44165","619296","Present"
-"NSC619298","","","","","","","","","","","","","","","","","","","","NSC619298","","","","",NA,"PDBC44166","619298","Present"
-"NSC619299","","","","","","","","","","","","","","","","","","","","NSC619299","","","","",NA,"PDBC44167","619299","Present"
-"NSC619300","","","","","","","","","","","","","","","","","","","","NSC619300","","","","",NA,"PDBC44168","619300","Present"
-"NSC619301","","","","","","","","","","","","","","","","","","","","NSC619301","","","","",NA,"PDBC44169","619301","Present"
-"NSC619308","","","","","","","","","","","","","","","","","","","","NSC619308","","","","",NA,"PDBC44170","619308","Present"
-"NSC619309","","","","","","","","","","","","","","","","","","","","NSC619309","","","","",NA,"PDBC44171","619309","Present"
-"NSC619310","","","","","","","","","","","","","","","","","","","","NSC619310","","","","",NA,"PDBC44172","619310","Present"
-"NSC619311","","","","","","","","","","","","","","","","","","","","NSC619311","","","","",NA,"PDBC44173","619311","Present"
-"NSC619321","","","","","","","","","","","","","","","","","","","","NSC619321","","","","",NA,"PDBC44174","619321","Present"
-"NSC619322","","","","","","","","","","","","","","","","","","","","NSC619322","","","","",NA,"PDBC44175","619322","Present"
-"NSC619323","","","","","","","","","","","","","","","","","","","","NSC619323","","","","",NA,"PDBC44176","619323","Present"
-"NSC619324","","","","","","","","","","","","","","","","","","","","NSC619324","","","","",NA,"PDBC44177","619324","Present"
-"NSC619377","","","","","","","","","","","","","","","","","","","","NSC619377","","[Li+].C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OCC1CCC(O1)N2C=CC(=NC2=O)N","RAHXCUNKMKXIFH-UHFFFAOYSA-N","54608050",NA,"PDBC44178","619377","Present"
-"NSC619390","","","","","","","","","","","","","","","","","","","","NSC619390","","C1C(=CC2=CC(=CC=C2)O)C(=O)C3=CC=CC=C3O1","RNUZWDUHDRSFIM-XYOKQWHBSA-N","5386998",NA,"PDBC44179","619390","Present"
-"NSC619443","","","","","","","","","","","","","","","","","","","","NSC619443","","","","",NA,"PDBC44180","619443","Present"
-"NSC619690","","","","","","","","","","","","","","","","","","","","NSC619690","","COC1=CC(=C(C=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O)OC.COC1=CC(=C(C=C1)C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O)OC","MSLONMNIYNPHKB-DRXWHKFFSA-N","6711333",NA,"PDBC44181","619690","Present"
-"NSC620108","","","","","","","","","","","","","","","","","","","","NSC620108","","C1=CC=C(C=C1)C2=NNC(=O)C2=[N+]=[N-]","VFABPXVWPLQVJX-UHFFFAOYSA-N","135455632",NA,"PDBC44182","620108","Present"
-"NSC620300","","","","","","","","","","","","","","","","","","","","NSC620300","","C1=CC(=CC=C1S(=O)(=O)NN=CC2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)Cl","JKIYDWZHCWQBOP-CHHVJCJISA-N","135455637",NA,"PDBC44183","620300","Present"
-"NSC620301","","","","","","","","","","","","","","","","","","","","NSC620301","","C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=NNS(=O)(=O)C2=CC=C(C=C2)Cl","VBVMOMGAPOAISS-NVNXTCNLSA-N","135455638",NA,"PDBC44184","620301","Present"
-"NSC620302","","","","","","","","","","","","","","","","","","","","NSC620302","","COC1=C(C(=C(C=C1)S(=O)(=O)NN=CC2=C(C(=CC(=C2)[N+](=O)[O-])I)O)OC)OC","TTZBSGVMEPMXJY-LSCVHKIXSA-N","135455639",NA,"PDBC44185","620302","Present"
-"NSC620377","","","","","","","","","","","","","","","","","","","","NSC620377","","","","",NA,"PDBC44186","620377","Present"
-"NSC620378","","","","","","","","","","","","","","","","","","","","NSC620378","","","","",NA,"PDBC44187","620378","Present"
-"NSC620379","","","","","","","","","","","","","","","","","","","","NSC620379","","","","",NA,"PDBC44188","620379","Present"
-"NSC620380","","","","","","","","","","","","","","","","","","","","NSC620380","","","","",NA,"PDBC44189","620380","Present"
-"NSC620381","","","","","","","","","","","","","","","","","","","","NSC620381","","","","",NA,"PDBC44190","620381","Present"
-"NSC620382","","","","","","","","","","","","","","","","","","","","NSC620382","","","","",NA,"PDBC44191","620382","Present"
-"NSC620478","","","","","","","","","","","","","","","","","","","","NSC620478","","CN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)NCCN)[N+](=O)[O-].Cl","VBSDMMSNYXPGIB-UHFFFAOYSA-N","359496",NA,"PDBC44192","620478","Present"
-"NSC620482","","","","","","","","","","","","","","","","","","","","NSC620482","","CC12CCC(CC1CCC3C2CCC4(C3CCC(=O)N4)C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl","JMZJBCNHUJOLER-VNCUCJBFSA-N","359501",NA,"PDBC44193","620482","Present"
-"NSC621109","","","","","","","","","","","","","","","","","","","","NSC621109","","CC(=NNC(=O)CC(=O)NC1=CC=C(C=C1)OC)C2=CC3=CC=CC=C3OC2=O","ZSWUIGQZLKHTIT-YDZHTSKRSA-N","9569828",NA,"PDBC44194","621109","Present"
-"NSC621187","","","","","","","","","","","","","","","","","","","","NSC621187","","C1=CC(=C(C=C1Cl)Cl)C2C(=O)C(=C(C#N)C3=C(C=C(C=C3)Cl)Cl)OC2=N","GNVSTEHBPDMGME-VAUATAMWSA-N","5387153",NA,"PDBC44195","621187","Present"
-"NSC621321","","","","","","","","","","","","","","","","","","","","NSC621321","","","","",NA,"PDBC44196","621321","Present"
-"NSC621322","","","","","","","","","","","","","","","","","","","","NSC621322","","","","",NA,"PDBC44197","621322","Present"
-"NSC621323","","","","","","","","","","","","","","","","","","","","NSC621323","","","","",NA,"PDBC44198","621323","Present"
-"NSC621324","","","","","","","","","","","","","","","","","","","","NSC621324","","","","",NA,"PDBC44199","621324","Present"
-"NSC621325","","","","","","","","","","","","","","","","","","","","NSC621325","","","","",NA,"PDBC44200","621325","Present"
-"NSC621326","","","","","","","","","","","","","","","","","","","","NSC621326","","","","",NA,"PDBC44201","621326","Present"
-"NSC621329","","","","","","","","","","","","","","","","","","","","NSC621329","","","","",NA,"PDBC44202","621329","Present"
-"NSC621331","","","","","","","","","","","","","","","","","","","","NSC621331","","","","",NA,"PDBC44203","621331","Present"
-"NSC621332","","","","","","","","","","","","","","","","","","","","NSC621332","","","","",NA,"PDBC44204","621332","Present"
-"NSC621334","","","","","","","","","","","","","","","","","","","","NSC621334","","","","",NA,"PDBC44205","621334","Present"
-"NSC621335","","","","","","","","","","","","","","","","","","","","NSC621335","","","","",NA,"PDBC44206","621335","Present"
-"NSC621336","","","","","","","","","","","","","","","","","","","","NSC621336","","","","",NA,"PDBC44207","621336","Present"
-"NSC621337","","","","","","","","","","","","","","","","","","","","NSC621337","","","","",NA,"PDBC44208","621337","Present"
-"NSC621339","","","","","","","","","","","","","","","","","","","","NSC621339","","","","",NA,"PDBC44209","621339","Present"
-"NSC621392","","","","","","","","","","","","","","","","","","","","NSC621392","","C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)CC3=CC=CC=C3)O)O","UBXPBIRQRWKPMB-ABHNRTSZSA-N","359825",NA,"PDBC44210","621392","Present"
-"NSC621393","","","","","","","","","","","","","","","","","","","","NSC621393","","CC1CC(C(C(C1)C(CC2CC(=O)N(C(=O)C2)CC3=CC=CC=C3)O)O)C","QGEQAZFXCIABEB-HAZVCWPCSA-N","359826",NA,"PDBC44211","621393","Present"
-"NSC621808","","","","","","","","","","","","","","","","","","","","NSC621808","","","","",NA,"PDBC44212","621808","Present"
-"NSC622079","","","","","","","","","","","","","","","","","","","","NSC622079","","CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)NC(=O)C(C2)N3C)C(=C1OC)OC)OC","AIYZHTPXACEKKY-YVLHZVERSA-N","5387237",NA,"PDBC44213","622079","Present"
-"NSC622081","","","","","","","","","","","","","","","","","","","","NSC622081","","CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3C(=O)OC)CC5=CC=CC=C5)C(=C1OC)OC)OC","XXJWHFSPDNBONF-WTEZCBSFSA-N","6330791",NA,"PDBC44214","622081","Present"
-"NSC622096","","","","","","","","","","","","","","","","","","","","NSC622096","","COC1=C(C(=C2C(C(C(=C(C2=C1)O)C(=O)OC)C(=O)OC)C3=CC4=C(C=C3)OCO4)OC)OC","XUDUCPVWELPHLK-DAFXYXGESA-N","54676224",NA,"PDBC44215","622096","Present"
-"NSC622100","","","","","","","","","","","","","","","","","","","","NSC622100","","CC1=NC(=C(C=C1)O)N=NC2=CC=C(C=C2)S(=O)(=O)O.[Na+]","YIFDNXJWOMKYRL-UHFFFAOYSA-N","135510057",NA,"PDBC44216","622100","Present"
-"NSC622104","","","","","","","","","","","","","","","","","","","","NSC622104","","","","",NA,"PDBC44217","622104","Present"
-"NSC622106","","","","","","","","","","","","","","","","","","","","NSC622106","","","","",NA,"PDBC44218","622106","Present"
-"NSC622109","","","","","","","","","","","","","","","","","","","","NSC622109","","","","",NA,"PDBC44219","622109","Present"
-"NSC622113","","","","","","","","","","","","","","","","","","","","NSC622113","","","","",NA,"PDBC44220","622113","Present"
-"NSC622114","","","","","","","","","","","","","","","","","","","","NSC622114","","","","",NA,"PDBC44221","622114","Present"
-"NSC622115","","","","","","","","","","","","","","","","","","","","NSC622115","","","","",NA,"PDBC44222","622115","Present"
-"NSC622117","","","","","","","","","","","","","","","","","","","","NSC622117","","","","",NA,"PDBC44223","622117","Present"
-"NSC622119","","","","","","","","","","","","","","","","","","","","NSC622119","","","","",NA,"PDBC44224","622119","Present"
-"NSC622120","","","","","","","","","","","","","","","","","","","","NSC622120","","","","",NA,"PDBC44225","622120","Present"
-"NSC622125","","","","","","","","","","","","","","","","","","","","NSC622125","","","","",NA,"PDBC44226","622125","Present"
-"NSC622297","","","","","","","","","","","","","","","","","","","","NSC622297","","CN(C)CCSC1=NC=CC(=N1)C2=CC=C(S2)C3=NC(=NC=C3)SCCN(C)C.Br","FWHAULPIQKYXOD-UHFFFAOYSA-N","360272",NA,"PDBC44227","622297","Present"
-"NSC622379","","","","","","","","","","","","","","","","","","","","NSC622379","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=C(C(=O)O)Cl)Cl","HDNSTGGEYNJTTN-HJWRWDBZSA-N","54607984",NA,"PDBC44228","622379","Present"
-"NSC622380","","","","","","","","","","","","","","","","","","","","NSC622380","","CC1=C(C(=CC=C1)C)NC(=O)C(=C(C(=O)O)Cl)Cl","PIHSZWBVWSOXAC-HJWRWDBZSA-N","15592486",NA,"PDBC44229","622380","Present"
-"NSC622381","","","","","","","","","","","","","","","","","","","","NSC622381","","C1=CC(=CC(=C1)Cl)NC(=O)C(=C(C(=O)O)Cl)Cl","PRJKMPRAFRAFTD-FPLPWBNLSA-N","54608833",NA,"PDBC44230","622381","Present"
-"NSC622390","","","","","","","","","","","","","","","","","","","","NSC622390","","CCCC(=O)C(CC)C(=NNC(=O)C[N+](C)(C)C)CCC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2.[Cl-]","HYSJTRUIVZBDCG-OVXWMHFQSA-N","5479881",NA,"PDBC44231","622390","Present"
-"NSC622391","","","","","","","","","","","","","","","","","","","","NSC622391","","C1=CC=C2C(=C1)C=CC(=C2C(=O)NN=C(CCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(C#N)C4=NC5=CC=CC=C5S4)O","RHUVOUDVROSABB-BGDIREAQSA-N","5464901",NA,"PDBC44232","622391","Present"
-"NSC622395","","","","","","","","","","","","","","","","","","","","NSC622395","","CCC(=NNC(=O)C(=O)N)CC(=O)CCC(=O)NC1=CC(=C(C=C1)C)C","ICSGRZSNPMMJEL-FYJGNVAPSA-N","5464902",NA,"PDBC44233","622395","Present"
-"NSC622439","","","","","","","","","","","","","","","","","","","","NSC622439","","COC1=CC=C(C=C1)NC(=O)CCC(=NNC(=S)N)CC(=O)C2=CC=CO2","VPCDQTRJZWDPPF-BKUYFWCQSA-N","5464905",NA,"PDBC44234","622439","Present"
-"NSC622443","","","","","","","","","","","","","","","","","","","","NSC622443","","C[N+](C)(C)CC(=O)NN=C(CCC(=O)NCCC1=CC=CC=C1)CC(=O)C2=CC=CC=C2.[Cl-]","FCTNMFJNRVCJAJ-NYUAYZFWSA-N","9555781",NA,"PDBC44235","622443","Present"
-"NSC622468","","","","","","","","","","","","","","","","","","","","NSC622468","","CC(C)N1CCOC(C1)C2=CC(=C(C=C2)O)O.Cl","GZYSFHADEFPLMC-UHFFFAOYSA-N","360399",NA,"PDBC44236","622468","Present"
-"NSC622480","","","","","","","","","","","","","","","","","","","","NSC622480","","CCCCCCCCCCCC(=NO)C1=C2C=CC=NC2=C(C=C1)O","HGVLSCJIZJAIFB-NMWGTECJSA-N","135510059",NA,"PDBC44237","622480","Present"
-"NSC622599","","","","","","","","","","","","","","","","","","","","NSC622599","","CN(C)C1=NC(=NC2=CC3=CC=CC=C3C=C2)SS1.Cl","YXDGEUCTXPQFOI-UHFFFAOYSA-N","360466",NA,"PDBC44238","622599","Present"
-"NSC622607","","","","","","","","","","","","","","","","","","","","NSC622607","","CN(C1=CC=CC=C1)C2=NC(=[N+]3CCCC3)SS2.[O-]Cl(=O)(=O)=O","LMEKHKROYCGTAR-UHFFFAOYSA-M","24202072",NA,"PDBC44239","622607","Present"
-"NSC622642","","","","","","","","","","","","","","","","","","","","NSC622642","","CN=C1N(C(=NC(=NC)N(C)C)SS1)C.OCl(=O)(=O)=O","HFEHPORSWGCJRW-XKAKQRFMSA-N","6474389",NA,"PDBC44240","622642","Present"
-"NSC622643","","","","","","","","","","","","","","","","","","","","NSC622643","","CNC(=NC)N(C)C1=NC(=[N+](C)C)SS1.[O-]Cl(=O)(=O)=O","RIONXYZPUQEACO-UHFFFAOYSA-M","24202074",NA,"PDBC44241","622643","Present"
-"NSC622645","","","","","","","","","","","","","","","","","","","","NSC622645","","CN=C(N(C)C1=NC(=[N+](C)C)SS1)SC.[O-]Cl(=O)(=O)=O","RDTWCNQJBCXJAE-UHFFFAOYSA-M","24202075",NA,"PDBC44242","622645","Present"
-"NSC622646","","","","","","","","","","","","","","","","","","","","NSC622646","","CN=C1[N+](=C(SS1)N=C(N(C)C)SC)C.[O-]Cl(=O)(=O)=O","YEPAQNJZWNWKER-UHFFFAOYSA-M","135439980",NA,"PDBC44243","622646","Present"
-"NSC622648","","","","","","","","","","","","","","","","","","","","NSC622648","","CCSC1=NC(=[N+]2CCCC2)SS1.[O-]Cl(=O)(=O)=O","CNTZGUFLSGHOQV-UHFFFAOYSA-M","24202077",NA,"PDBC44244","622648","Present"
-"NSC622665","","","","","","","","","","","","","","","","","","","","NSC622665","","C1C(OC(C1N=[N+]=[N-])N2C=NC3=C(N=CN=C32)N)CO","JVPFDOXMGPHRJG-UHFFFAOYSA-N","360530",NA,"PDBC44245","622665","Present"
-"NSC622672","","","","","","","","","","","","","","","","","","","","NSC622672","","CN(CC1=CC=CC=C1)C2=NC(=[N+](C)C)SS2.[Cl-]","VRTAOGAZVACJSL-UHFFFAOYSA-M","360539",NA,"PDBC44246","622672","Present"
-"NSC622677","","","","","","","","","","","","","","","","","","","","NSC622677","","C1COCCN1C2=NC(=NC3=CC=CC=C3)SS2.OCl(=O)(=O)=O","KRWOAAOUYOGKCN-UHFFFAOYSA-N","21144948",NA,"PDBC44247","622677","Present"
-"NSC622678","","","","","","","","","","","","","","","","","","","","NSC622678","","C1COCCN1C2=CC(=[N+]3CCOCC3)SS2.[N+](=O)([O-])[O-]","IDHMNJQYOYWXOY-UHFFFAOYSA-N","24202078",NA,"PDBC44248","622678","Present"
-"NSC622685","","","","","","","","","","","","","","","","","","","","NSC622685","","CN(C)C1=NC(=NC2=CC3=C(C=C2)OCO3)SS1.Br","ATSXWUNZJHFZRR-UHFFFAOYSA-N","360554",NA,"PDBC44249","622685","Present"
-"NSC622689","","","","","","","","","","","","","","","","","","","","NSC622689","","CN(C)C1=NC(=NC2=CC(=CC=C2)Cl)SS1.Br","GYHPIJXFPKXVPT-UHFFFAOYSA-N","360560",NA,"PDBC44250","622689","Present"
-"NSC622690","","","","","","","","","","","","","","","","","","","","NSC622690","","CC1=CC(=C2N=C(SS2)N(C)C)C(=N1)C.OCl(=O)(=O)=O","UTDYDUXYVLEXEC-HRNDJLQDSA-N","24202079",NA,"PDBC44251","622690","Present"
-"NSC622692","","","","","","","","","","","","","","","","","","","","NSC622692","","CN1C(=NC(=S)N(C)C)N(SC1=NC(=S)N(C)C)C","XQFOEAJTMXMOMM-QVOAAWBYSA-N","5913165",NA,"PDBC44252","622692","Present"
-"NSC622758","","","","","","","","","","","","","","","","","","","","NSC622758","","CC(=NC1=C(N=C(N(C1=O)C)OC)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","KIZDWDRRDWOXCD-UHFFFAOYSA-N","360583",NA,"PDBC44253","622758","Present"
-"NSC622760","","","","","","","","","","","","","","","","","","","","NSC622760","","CC(=NC1=C(N=C(NC1=O)SC)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","UDNQFLXWXYNSSF-UHFFFAOYSA-N","135429974",NA,"PDBC44254","622760","Present"
-"NSC622762","","","","","","","","","","","","","","","","","","","","NSC622762","","CC(=NC1=C(N=C(N(C1=O)C)SC)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","SRZIGGDTXYROBB-UHFFFAOYSA-N","360587",NA,"PDBC44255","622762","Present"
-"NSC622764","","","","","","","","","","","","","","","","","","","","NSC622764","","CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)NC(=N2)OC)N=CC=NC3=C(N=C(NC3=O)OC)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","ULJFVAQOQWQZRB-UHFFFAOYSA-N","135429975",NA,"PDBC44256","622764","Present"
-"NSC622765","","","","","","","","","","","","","","","","","","","","NSC622765","","CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=N2)OC)C)N=CC=NC3=C(N=C(N(C3=O)C)OC)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","VHDYOFMDIMZALU-UHFFFAOYSA-N","360590",NA,"PDBC44257","622765","Present"
-"NSC622767","","","","","","","","","","","","","","","","","","","","NSC622767","","CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)NC(=N2)SC)N=CC=NC3=C(N=C(NC3=O)SC)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","UIHVYUCMCYYTLC-UHFFFAOYSA-N","135429976",NA,"PDBC44258","622767","Present"
-"NSC623050","","","","","","","","","","","","","","","","","","","","NSC623050","","C1=CC=C2C(=C1)N=C(O2)C3C(=NC4=CC=CC5=C4C(=O)NNC5=O)C(=O)N(C(=O)C3=O)C6=CC=C(C=C6)Cl","HUQMAAHBZYHQEZ-UHFFFAOYSA-N","360714",NA,"PDBC44259","623050","Present"
-"NSC623228","","","","","","","","","","","","","","","","","","","","NSC623228","","CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC(=C(C=C2)Cl)Cl","MGQVHXXQYZRYGV-LICLKQGHSA-N","5464910",NA,"PDBC44260","623228","Present"
-"NSC623274","","","","","","","","","","","","","","","","","","","","NSC623274","","","","",NA,"PDBC44261","623274","Present"
-"NSC623275","","","","","","","","","","","","","","","","","","","","NSC623275","","","","",NA,"PDBC44262","623275","Present"
-"NSC623276","","","","","","","","","","","","","","","","","","","","NSC623276","","","","",NA,"PDBC44263","623276","Present"
-"NSC623277","","","","","","","","","","","","","","","","","","","","NSC623277","","","","",NA,"PDBC44264","623277","Present"
-"NSC623278","","","","","","","","","","","","","","","","","","","","NSC623278","","","","",NA,"PDBC44265","623278","Present"
-"NSC623279","","","","","","","","","","","","","","","","","","","","NSC623279","","","","",NA,"PDBC44266","623279","Present"
-"NSC623280","","","","","","","","","","","","","","","","","","","","NSC623280","","","","",NA,"PDBC44267","623280","Present"
-"NSC623281","","","","","","","","","","","","","","","","","","","","NSC623281","","","","",NA,"PDBC44268","623281","Present"
-"NSC623282","","","","","","","","","","","","","","","","","","","","NSC623282","","","","",NA,"PDBC44269","623282","Present"
-"NSC623283","","","","","","","","","","","","","","","","","","","","NSC623283","","","","",NA,"PDBC44270","623283","Present"
-"NSC623314","","","","","","","","","","","","","","","","","","","","NSC623314","","","","",NA,"PDBC44271","623314","Present"
-"NSC623315","","","","","","","","","","","","","","","","","","","","NSC623315","","","","",NA,"PDBC44272","623315","Present"
-"NSC623316","","","","","","","","","","","","","","","","","","","","NSC623316","","","","",NA,"PDBC44273","623316","Present"
-"NSC623317","","","","","","","","","","","","","","","","","","","","NSC623317","","","","",NA,"PDBC44274","623317","Present"
-"NSC623318","","","","","","","","","","","","","","","","","","","","NSC623318","","","","",NA,"PDBC44275","623318","Present"
-"NSC623319","","","","","","","","","","","","","","","","","","","","NSC623319","","","","",NA,"PDBC44276","623319","Present"
-"NSC623320","","","","","","","","","","","","","","","","","","","","NSC623320","","","","",NA,"PDBC44277","623320","Present"
-"NSC623321","","","","","","","","","","","","","","","","","","","","NSC623321","","","","",NA,"PDBC44278","623321","Present"
-"NSC623622","","","","","","","","","","","","","","","","","","","","NSC623622","","CNC(=S)NN=C1CC(OC2=CC=CC=C12)C3=CC=CC=C3","DFCSYAVULDGMRQ-XMHGGMMESA-N","5464915",NA,"PDBC44279","623622","Present"
-"NSC623623","","","","","","","","","","","","","","","","","","","","NSC623623","","CC(=O)OCC1C(C(C(C(O1)NC(=S)NN=C2CC(OC3=CC=CC=C23)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","SKZCKWJZQGAIOP-WEMUVCOSSA-N","5464916",NA,"PDBC44280","623623","Present"
-"NSC623660","","","","","","","","","","","","","","","","","","","","NSC623660","","COC1C(C(C2C3C(CC=C2O1)C(=O)NC3=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5","CWAWZNHFJPDBBH-DILDLNRMSA-N","360946",NA,"PDBC44281","623660","Present"
-"NSC623730","","","","","","","","","","","","","","","","","","","","NSC623730","","CCOC1=CC=CC=C1N2C(=O)C(=NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","ZLOAMEJSBQWINK-XQNSMLJCSA-N","5464917",NA,"PDBC44282","623730","Present"
-"NSC623731","","","","","","","","","","","","","","","","","","","","NSC623731","","C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=O)CC#N)C(=O)N(C(=O)C3=O)C4=C(C=CC(=C4)Cl)Cl","ANNQCDWSZQAHJE-WPWMEQJKSA-N","5479883",NA,"PDBC44283","623731","Present"
-"NSC623735","","","","","","","","","","","","","","","","","","","","NSC623735","","CC1=C(C(=CC=C1)C)N2C(=O)C(=NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","ZAQWKRIDRLFICA-HZHRSRAPSA-N","5464918",NA,"PDBC44284","623735","Present"
-"NSC623755","","","","","","","","","","","","","","","","","","","","NSC623755","","C1=CC=C(C(=C1)C(=O)NN=C2C(C(=O)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)C4=NC5=CC=CC=C5O4)O","STKDZBKKTJLTOL-ZTKZIYFRSA-N","5479884",NA,"PDBC44285","623755","Present"
-"NSC623762","","","","","","","","","","","","","","","","","","","","NSC623762","","C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=O)CC#N)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl","DCQHHUKCWYFYNU-YZSQISJMSA-N","5479885",NA,"PDBC44286","623762","Present"
-"NSC623766","","","","","","","","","","","","","","","","","","","","NSC623766","","C1C(=NNC(=S)N)C(C(=O)CN1C2=CC(=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3","RLTDGXKUQSPXLB-OYKKKHCWSA-N","5464920",NA,"PDBC44287","623766","Present"
-"NSC623767","","","","","","","","","","","","","","","","","","","","NSC623767","","C1=CC=C2C(=C1)N=C(O2)C3C(=NNC(=O)NN)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl","ONBAUDJTSFOGPV-AFUMVMLFSA-N","5464921",NA,"PDBC44288","623767","Present"
-"NSC623768","","","","","","","","","","","","","","","","","","","","NSC623768","","CC1=CC(=C(C=C1)C)N2C(=O)C(=NNC(=O)C3=CC=CC=C3O)C(C(=O)C2=O)C4=NC5=CC=CC=C5O4","QMLXIABJHHORSX-QUPMIFSKSA-N","5479887",NA,"PDBC44289","623768","Present"
-"NSC623774","","","","","","","","","","","","","","","","","","","","NSC623774","","C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=O)CC#N)C(=O)NC(=O)C3=O","RQLZOGZUNJPJSN-RGVLZGJSSA-N","5479888",NA,"PDBC44290","623774","Present"
-"NSC623787","","","","","","","","","","","","","","","","","","","","NSC623787","","CC1CCC2(CC1)NN=C3N(N2)C(=O)C(=CC4=CC=C(C=C4)OC)S3","ZLZSIRKOTVRQLP-RVDMUPIBSA-N","5387455",NA,"PDBC44291","623787","Present"
-"NSC623788","","","","","","","","","","","","","","","","","","","","NSC623788","","CCC1(NN=C2N(N1)C(=O)C(=CC3=CC=C(C=C3)OC)S2)C","HDTHTJIUIXVILS-FMIVXFBMSA-N","5387456",NA,"PDBC44292","623788","Present"
-"NSC623791","","","","","","","","","","","","","","","","","","","","NSC623791","","COC1=CC=C(C=C1)C=C2C(=O)N3C(=NNC4(N3)CCCCC4)S2","DXPZBOPAFYCFPU-SDNWHVSQSA-N","962833",NA,"PDBC44293","623791","Present"
-"NSC623795","","","","","","","","","","","","","","","","","","","","NSC623795","","CN(C)CCNC(=O)C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3.Cl","AFUCXGWVEIXQBR-UHFFFAOYSA-N","361052",NA,"PDBC44294","623795","Present"
-"NSC623796","","","","","","","","","","","","","","","","","","","","NSC623796","","CCN(CC)CCCNC(=O)C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3.Cl","FUOXNJMEPHKPAL-UHFFFAOYSA-N","361054",NA,"PDBC44295","623796","Present"
-"NSC623878","","","","","","","","","","","","","","","","","","","","NSC623878","","CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C)C(=O)C","JCHHDJNRJYEQRR-UYRXBGFRSA-N","5386881",NA,"PDBC44296","623878","Present"
-"NSC623884","","","","","","","","","","","","","","","","","","","","NSC623884","","CCOC(=O)C(=C(C(=NNC1=CC=CC(=C1)C(F)(F)F)C(=O)OCC)N)C#N","CVDDQGLJBWQSBL-UWXFXBEJSA-N","5464922",NA,"PDBC44297","623884","Present"
-"NSC623902","","","","","","","","","","","","","","","","","","","","NSC623902","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C(N3)C=C(C=C4)Cl","UIUFPVZMPHUHCY-UDWIEESQSA-N","5387466",NA,"PDBC44298","623902","Present"
-"NSC623903","","","","","","","","","","","","","","","","","","","","NSC623903","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=C(N3)C(=O)C5=CC=CC=C5C4=O)N)C6=NC7=C(N6)C(=O)C8=CC=CC=C8C7=O","JYQVMWJDOAEQJQ-XROAYDFBSA-N","5387467",NA,"PDBC44299","623903","Present"
-"NSC623904","","","","","","","","","","","","","","","","","","","","NSC623904","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=CC=CC=C4N3)NC(=O)C5=CC=CC=C5)C6=NC7=CC=CC=C7N6","AFVNBVDFNWYIBJ-DQWRGTGXSA-N","5387468",NA,"PDBC44300","623904","Present"
-"NSC623905","","","","","","","","","","","","","","","","","","","","NSC623905","","CN(C)C1=CC=C(C=C1)C=C(C2=NC3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)NC(=O)C6=CC=CC=C6","AWGCIRNDWWXCLV-ITYLOYPMSA-N","135510066",NA,"PDBC44301","623905","Present"
-"NSC623911","","","","","","","","","","","","","","","","","","","","NSC623911","","CC(=O)NC(=CC1=CC=C(C=C1)C=C(C2=NC3=C(N2)C=C(C=C3)Cl)NC(=O)C)C4=NC5=CC=CC=C5N4","LIQGHQIADVHFLU-WFBNZKAHSA-N","5387473",NA,"PDBC44302","623911","Present"
-"NSC623912","","","","","","","","","","","","","","","","","","","","NSC623912","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2Cl)C3=NC4=CC=CC=C4N3","VSOLNQCYYIFZJO-ZHZULCJRSA-N","5387474",NA,"PDBC44303","623912","Present"
-"NSC623913","","","","","","","","","","","","","","","","","","","","NSC623913","","C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C2=NC3=C(N2)C=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)N","LJKRWQUQDCHKMO-JAIQZWGSSA-N","5387475",NA,"PDBC44304","623913","Present"
-"NSC623955","","","","","","","","","","","","","","","","","","","","NSC623955","","C1C(N=CC2=C1C3=CC=CC=C3N2)C(=O)O.Cl","KLOFENHROGHQRN-UHFFFAOYSA-N","361128",NA,"PDBC44305","623955","Present"
-"NSC623956","","","","","","","","","","","","","","","","","","","","NSC623956","","COC(=O)C1CC2=C(C=N1)NC3=CC=CC=C23.Cl","YZHRVTOWCOAODU-UHFFFAOYSA-N","361130",NA,"PDBC44306","623956","Present"
-"NSC623960","","","","","","","","","","","","","","","","","","","","NSC623960","","CC1C(OP(=S)(N1)OCC2C(C=CC3=C2C=CC=C3OC)C=C)C4=CC=CC=C4","WRXZTPZJAJOLSM-QRLFYKARSA-N","6711369",NA,"PDBC44307","623960","Present"
-"NSC623999","","","","","","","","","","","","","","","","","","","","NSC623999","","C1C(NC2=CC=CC=C2C1=NNC(=S)N)C3=CC=CC=C3","YDXUUFRVDDEWAP-XDJHFCHBSA-N","135510067",NA,"PDBC44308","623999","Present"
-"NSC624018","","","","","","","","","","","","","","","","","","","","NSC624018","","CCNC(=O)C(C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O)O","AMVOSMMWUPSGNN-NXXASIDBSA-N","361176",NA,"PDBC44309","624018","Present"
-"NSC624044","","","","","","","","","","","","","","","","","","","","NSC624044","","COC(=O)C1CSC(=S)N1C(=O)CC2CC=CCC2CC(=O)SC3=CC=CC=C3","LXEGAFANKHTMTD-VYDXJSESSA-N","361178",NA,"PDBC44310","624044","Present"
-"NSC624165","","","","","","","","","","","","","","","","","","","","NSC624165","","C1=CC=C(C(=C1)CSSCCCCS(=O)O)CSSCCCCS(=O)O.[Na+]","VTAGTCCODJQQNH-UHFFFAOYSA-N","54608663",NA,"PDBC44311","624165","Present"
-"NSC624166","","","","","","","","","","","","","","","","","","","","NSC624166","","C(CCS(=O)O)CSSCCNCCCN.Cl","FWWWVTXHUGPYRG-UHFFFAOYSA-N","361203",NA,"PDBC44312","624166","Present"
-"NSC624172","","","","","","","","","","","","","","","","","","","","NSC624172","","C1=CC=C(C(=C1)CSSCCNCCCN)CSSCCNCCCN.Cl","KAAVMYQPXLBCAU-UHFFFAOYSA-N","361211",NA,"PDBC44313","624172","Present"
-"NSC624197","","","","","","","","","","","","","","","","","","","","NSC624197","","C(CCSSCCCS(=O)O)CSSCCCS(=O)O.[Na+]","IXBSTHLKSUEMRA-UHFFFAOYSA-N","54607991",NA,"PDBC44314","624197","Present"
-"NSC624198","","","","","","","","","","","","","","","","","","","","NSC624198","","C(CCSSCCCCSSCCCCCS(=O)O)CCS(=O)O.[Na+]","QCDQJFJMDHFPFS-UHFFFAOYSA-N","54604861",NA,"PDBC44315","624198","Present"
-"NSC624200","","","","","","","","","","","","","","","","","","","","NSC624200","","COC1=CC(=C(C(=C1)OC)SSCCCCS(=O)O)OC.[Na+]","NPHZFAZPDBGVSL-UHFFFAOYSA-N","54600761",NA,"PDBC44316","624200","Present"
-"NSC624204","","","","","","","","","","","","","","","","","","","","NSC624204","","C(CCS(=O)O)CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.[Na+]","MZPCCGXWEDDDMK-UHFFFAOYSA-N","54598743",NA,"PDBC44317","624204","Present"
-"NSC624205","","","","","","","","","","","","","","","","","","","","NSC624205","","C(CCSSCCCCS(=O)O)CSSCCCCS(=O)O.[Na+]","ZVGUXGAHRNBYJC-UHFFFAOYSA-N","54608649",NA,"PDBC44318","624205","Present"
-"NSC624248","","","","","","","","","","","","","","","","","","","","NSC624248","","C1C#CCS(=O)(=O)CC#CCC(C1CO)CO","HCYUXMIJQUSDOX-TXEJJXNPSA-N","361301",NA,"PDBC44319","624248","Present"
-"NSC624346","","","","","","","","","","","","","","","","","","","","NSC624346","","COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=CC(=C4)O)N=N3)OC.[Cl-]","UCOVKJDWIIVFEQ-UHFFFAOYSA-N","135510068",NA,"PDBC44320","624346","Present"
-"NSC624350","","","","","","","","","","","","","","","","","","","","NSC624350","","CC1CCC(C(C1)(CC(=O)N)O)C(C)C","DTTWYUOTCFBTHI-UPCOPKIUSA-N","6711370",NA,"PDBC44321","624350","Present"
-"NSC624353","","","","","","","","","","","","","","","","","","","","NSC624353","","CC(=O)OC1(CC2C3COC(OC3CCC2(CC1=O)C)(C)C)SC4=CC=CC=C4","ZNIZFWKJSBADSP-DMHPXOALSA-N","361327",NA,"PDBC44322","624353","Present"
-"NSC624359","","","","","","","","","","","","","","","","","","","","NSC624359","","CC12CCC(=NNC(=O)N)C3C1CCCC23","WMRCJJSQPCMZJI-ZROIWOOFSA-N","5464923",NA,"PDBC44323","624359","Present"
-"NSC624360","","","","","","","","","","","","","","","","","","","","NSC624360","","CC12CCC(=O)CC1CCC(C2Br)O","PRBNEHNGQDWVRV-FFFOGLNVSA-N","361334",NA,"PDBC44324","624360","Present"
-"NSC624361","","","","","","","","","","","","","","","","","","","","NSC624361","","CC12CCC(=O)CC1CCC(C2Br)OC=O","UJTJDOHSJHHHNU-HBCVRQPNSA-N","361335",NA,"PDBC44325","624361","Present"
-"NSC624363","","","","","","","","","","","","","","","","","","","","NSC624363","","CC12CCCC(C1CC(CC2)C(C)(C)O)O","PYDYAPFBFDTVMM-NRWUCQMLSA-N","361337",NA,"PDBC44326","624363","Present"
-"NSC624364","","","","","","","","","","","","","","","","","","","","NSC624364","","CC12CCCC(C1CC(CC2)CO)O","BEKIKKBAEGCYLM-WISYIIOYSA-N","361338",NA,"PDBC44327","624364","Present"
-"NSC624365","","","","","","","","","","","","","","","","","","","","NSC624365","","CC12CCCC(=O)C1CC(CC2)C(=O)O","KYEYIIDIACQPML-YKXYSFTHSA-N","361339",NA,"PDBC44328","624365","Present"
-"NSC624367","","","","","","","","","","","","","","","","","","","","NSC624367","","CC12CCCC(=O)C1(CC(CC2)C(=O)O)O","GCIPYRBKVDJHNW-LYFNNULSSA-N","361341",NA,"PDBC44329","624367","Present"
-"NSC624368","","","","","","","","","","","","","","","","","","","","NSC624368","","CC12CCCC(C1(CC(CC2)C(C)(C)O)O)O","AHYIVEOLTLPACY-MLWDRFBSSA-N","361342",NA,"PDBC44330","624368","Present"
-"NSC624370","","","","","","","","","","","","","","","","","","","","NSC624370","","CC1CCC(C2(C1CC(CC2)C(=C)C)C)O","SZJYIPBMAVTAPS-FVQCCKEXSA-N","361344",NA,"PDBC44331","624370","Present"
-"NSC624371","","","","","","","","","","","","","","","","","","","","NSC624371","","CC12CCC(C1C3C2CCC3)(C)O","FQXBWZZZRBCNIJ-JEDMMJBGSA-N","6711372",NA,"PDBC44332","624371","Present"
-"NSC624372","","","","","","","","","","","","","","","","","","","","NSC624372","","CC12CCCC(C1(CC(CC2)C(=O)O)O)OC=O","MBTGPHSLXJJXMP-IRZOWQPXSA-N","361346",NA,"PDBC44333","624372","Present"
-"NSC624373","","","","","","","","","","","","","","","","","","","","NSC624373","","CC12CCCC(C1(CC(CC2)C(=O)O)O)Cl","GHQBJDKDNJSWFB-RVJXMIQCSA-N","361347",NA,"PDBC44334","624373","Present"
-"NSC624374","","","","","","","","","","","","","","","","","","","","NSC624374","","CC1=CC(=O)CC2(C13CC(CC2)C(O3)(C)C)C","GOGQVLFORQZAOZ-QTWGFKIWSA-N","361348",NA,"PDBC44335","624374","Present"
-"NSC624375","","","","","","","","","","","","","","","","","","","","NSC624375","","CC1C(=O)CCC2(C1(CC(CC2)C(C)(C)O)O)C","RPYUWFZMGJFEJZ-UZBKSZPOSA-N","361349",NA,"PDBC44336","624375","Present"
-"NSC624376","","","","","","","","","","","","","","","","","","","","NSC624376","","CC1=C2CCCC2=CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CC1","ZGRNQAHLXYOJOQ-QGOAFFKASA-N","5494327",NA,"PDBC44337","624376","Present"
-"NSC624378","","","","","","","","","","","","","","","","","","","","NSC624378","","C1CCC2(CCOC2=O)C(C1)CC(=O)O","WKQSBPRCBUZEKV-RZZZFEHKSA-N","361352",NA,"PDBC44338","624378","Present"
-"NSC624379","","","","","","","","","","","","","","","","","","","","NSC624379","","CC1(C(CCC2(C1=CCCC2=O)C)O)C","VPZIXECAMMBHLM-GWCFXTLKSA-N","361353",NA,"PDBC44339","624379","Present"
-"NSC624383","","","","","","","","","","","","","","","","","","","","NSC624383","","CC(C(C1=CC=CC=C1)O)C(=O)C23CC4CC(C2)CC(C4)C3","UTMGSMUZUXLPQE-VIHWIYBNSA-N","361357",NA,"PDBC44340","624383","Present"
-"NSC624385","","","","","","","","","","","","","","","","","","","","NSC624385","","CC1=CC(=O)CCC2(C1CCC2OC=O)C","GNWMWSKEAPGFAI-CPCZMJQVSA-N","361359",NA,"PDBC44341","624385","Present"
-"NSC624387","","","","","","","","","","","","","","","","","","","","NSC624387","","CC1(OC(=O)C(O1)(C)C(C2=CC=CC=C2)O)C","BNWRDPGLBYUNCQ-ZWNOBZJWSA-N","361361",NA,"PDBC44342","624387","Present"
-"NSC624388","","","","","","","","","","","","","","","","","","","","NSC624388","","CC1C=CC(C2(C1CCC3(C2)OCCO3)CO)O","GPAQGPDCNKWUAK-SKQCGHHBSA-N","361362",NA,"PDBC44343","624388","Present"
-"NSC624390","","","","","","","","","","","","","","","","","","","","NSC624390","","CC12CCC(=O)CC1(CC=CC2=O)C","ABOUIVMTJHDKRH-VXGBXAGGSA-N","361364",NA,"PDBC44344","624390","Present"
-"NSC624391","","","","","","","","","","","","","","","","","","","","NSC624391","","CC1C2CC=CC(=O)C2(CCC13OCCO3)C","ZFKCZDPYSCMLMP-XIVSLSHWSA-N","361365",NA,"PDBC44345","624391","Present"
-"NSC624404","","","","","","","","","","","","","","","","","","","","NSC624404","","CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OCC(=O)O)C3=C(C(=O)C=C(C=C3)C(C)C)O)O.[Na+]","GPSYCFXOPHZSER-UHFFFAOYSA-N","54608904",NA,"PDBC44346","624404","Present"
-"NSC624416","","","","","","","","","","","","","","","","","","","","NSC624416","","C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=C(N3)C(=O)NC(=S)N4)NC(=O)C5=CC=C(C=C5)N","GUUQPBLJSNNXBS-QPEQYQDCSA-N","5387514",NA,"PDBC44347","624416","Present"
-"NSC624419","","","","","","","","","","","","","","","","","","","","NSC624419","","C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=CC(=C2)Cl)Cl)C3=NC4=C(N3)C(=O)NC(=S)N4","DLDRQYXWWLRNGZ-ZROIWOOFSA-N","5387517",NA,"PDBC44348","624419","Present"
-"NSC624422","","","","","","","","","","","","","","","","","","","","NSC624422","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=C(N3)N=C(N=C4O)S)NC(=O)C5=CC=CC=C5)C6=NC7=C(N6)N=C(N=C7O)S","OGTPDIUYMWLKRH-BMJUYKDLSA-N","135510069",NA,"PDBC44349","624422","Present"
-"NSC624423","","","","","","","","","","","","","","","","","","","","NSC624423","","COC1=CC(=CC(=C1OC)OC)C=C(C2=NC3=C(N2)C(=O)NC(=S)N3)NC(=O)C4=CC=CC=C4","MLZCQCBZBHPDFW-ZROIWOOFSA-N","5387520",NA,"PDBC44350","624423","Present"
-"NSC624433","","","","","","","","","","","","","","","","","","","","NSC624433","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=C(N3)C=CC(=C4)Cl)NC(=O)C5=CC=CC=C5)C6=NC7=C(N6)C=CC(=C7)Cl","LFNDAGSBDJYDPC-NBDJWBGESA-N","135510071",NA,"PDBC44351","624433","Present"
-"NSC624434","","","","","","","","","","","","","","","","","","","","NSC624434","","CC(=O)NC(=CC1=CC=C(C=C1)C=C(C2=NC3C(N2)C(=O)C4=CC=CC=C4C3=O)NC(=O)C)C5=NC6C(N5)C(=O)C7=CC=CC=C7C6=O","JCIXNTQVQXGQAS-YXHOTNNGSA-N","5387530",NA,"PDBC44352","624434","Present"
-"NSC624441","","","","","","","","","","","","","","","","","","","","NSC624441","","CC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C","DRSAXSPSSHVKSE-XFFZJAGNSA-N","1550070",NA,"PDBC44353","624441","Present"
-"NSC624446","","","","","","","","","","","","","","","","","","","","NSC624446","","CC1=NC(=CC2=CC=C(C=C2)C=C3C(=O)OC(=N3)C)C(=O)O1","WCIRCRMUTTYYLP-MFUUIURDSA-N","2185315",NA,"PDBC44354","624446","Present"
-"NSC624454","","","","","","","","","","","","","","","","","","","","NSC624454","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3","RQMTUTZPMIGREJ-RGEXLXHISA-N","5387548",NA,"PDBC44355","624454","Present"
-"NSC624507","","","","","","","","","","","","","","","","","","","","NSC624507","","CC1=C(C(CCC1)(C)C)C=CC(=CC2CC(=CC(=O)O2)OC)C","KWMXSAMVKSULMY-HUKVCQRGSA-N","5387554",NA,"PDBC44356","624507","Present"
-"NSC624508","","","","","","","","","","","","","","","","","","","","NSC624508","","CC1=C(C(CCC1)(C)C)C=CC(=CC2CC(=CC(=O)O2)N(C)C)C","JXHYZARGBJTQGE-MKQCFFQWSA-N","5387555",NA,"PDBC44357","624508","Present"
-"NSC624513","","","","","","","","","","","","","","","","","","","","NSC624513","","CC1C(OC(OC1C(C)(C(C(C)C(OC)OC)O)O)(C)C)C(C)C=C(C)C","MSTQJGOAMRAIES-VDOSHANBSA-N","6711375",NA,"PDBC44358","624513","Present"
-"NSC624517","","","","","","","","","","","","","","","","","","","","NSC624517","","CC1CC2CC(=C)C(C2(C(C1)O)CCCN)O","PHZPENDKWOXXAB-RVVFDFDBSA-N","361480",NA,"PDBC44359","624517","Present"
-"NSC624520","","","","","","","","","","","","","","","","","","","","NSC624520","","CCOC(=O)C(CCC=CC1=CC=CC=C1)N2CCCC2C(=O)OC","HKAAPZSXCIICKQ-LFRBKKLFSA-N","5387559",NA,"PDBC44360","624520","Present"
-"NSC624522","","","","","","","","","","","","","","","","","","","","NSC624522","","CC1CC(=O)C2=CCCC3(C2C1CO)SCCCS3","VGIPSDFQKHCMNK-JKOKRWQUSA-N","361485",NA,"PDBC44361","624522","Present"
-"NSC624662","","","","","","","","","","","","","","","","","","","","NSC624662","","CN1C(=C(C2=CC=CC=C2S1(=O)=O)[O-])C(=O)NC3=CC=CC=N3.CN1C(=C(C2=CC=CC=C2S1(=O)=O)[O-])C(=O)NC3=CC=CC=N3.CN(C)C=O.CN(C)C=O.[Cu+2]","PXLLOIQWFSZWKR-UHFFFAOYSA-L","24202084",NA,"PDBC44362","624662","Present"
-"NSC624852","","","","","","","","","","","","","","","","","","","","NSC624852","","C1=CC=C(C=C1)P(=NN=C2C=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","HJAJSXPYCWUMII-UHFFFAOYSA-N","329848",NA,"PDBC44363","624852","Present"
-"NSC624866","","","","","","","","","","","","","","","","","","","","NSC624866","","CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C=C2CCC(=CC3=C(C(=C(N3)C(=O)OC(C)(C)C)C)C)C2=O","FMHUDYTXFMKFFN-IWGRKNQJSA-N","5387572",NA,"PDBC44364","624866","Present"
-"NSC624902","","","","","","","","","","","","","","","","","","","","NSC624902","","","","",NA,"PDBC44365","624902","Present"
-"NSC624943","","","","","","","","","","","","","","","","","","","","NSC624943","","CC1=NC(=O)N2CCCNC2=C1C(=O)NC3=CC=C(C=C3)Cl.Cl","FFMIXBKONITCJY-UHFFFAOYSA-N","361700",NA,"PDBC44366","624943","Present"
-"NSC624946","","","","","","","","","","","","","","","","","","","","NSC624946","","C1CN2C(=CC(=NC2=O)C=CC3=CC=CC=C3Cl)N1CCO.Cl","PGJZQMMAICZYLE-IPZCTEOASA-N","5387583",NA,"PDBC44367","624946","Present"
-"NSC624965","","","","","","","","","","","","","","","","","","","","NSC624965","","C[S+](C)CCOC(=O)C(=[N+]=[N-])C1=CC=C(C=C1)[N+](=O)[O-].[I-]","RVWYUCAAPBQHQU-UHFFFAOYSA-M","361722",NA,"PDBC44368","624965","Present"
-"NSC624978","","","","","","","","","","","","","","","","","","","","NSC624978","","C1=CC=C(C=C1)C=C2C3C(C(=CC4=CC=CC=C4)C2=O)C(=CC5=CC=CC=C5)C(=O)C3=CC6=CC=CC=C6","DHQCQYHJPBFOQY-BKOROICWSA-N","5387594",NA,"PDBC44369","624978","Present"
-"NSC625063","","","","","","","","","","","","","","","","","","","","NSC625063","","C1CCC2(CCCC2C1)O","KMGJVGCSNRGWHH-IUCAKERBSA-N","361791",NA,"PDBC44370","625063","Present"
-"NSC625125","","","","","","","","","","","","","","","","","","","","NSC625125","","CCOC(=O)C(=C1C(=C(C(=C1O)C(=O)OC)C(=O)OC)C(=O)OC)C#N.C1=CC=NC=C1","IMLLSFKGBRZUJU-USRGLUTNSA-N","54679362",NA,"PDBC44371","625125","Present"
-"NSC625127","","","","","","","","","","","","","","","","","","","","NSC625127","","C1=CC=C2C(=C1)C3C(C2=NN)C4=CC=CC=C4C3=NN","RXYVGJAAYBZNML-VBGLAJCLSA-N","5387603",NA,"PDBC44372","625127","Present"
-"NSC625129","","","","","","","","","","","","","","","","","","","","NSC625129","","CCC1=C(C(=CC2=C(C(=C(N2)CBr)CC)C)N=C1CBr)C.Br","SVCNDUYVOVYZOO-DFPPEFKWSA-N","5387604",NA,"PDBC44373","625129","Present"
-"NSC625130","","","","","","","","","","","","","","","","","","","","NSC625130","","CCC1=C(C(=CC2=C(C(=C(N2)C(Br)Br)CC)C)N=C1C(Br)Br)C.Br","FOUCWSJDLWQKOT-QCCGTXRUSA-N","5387606",NA,"PDBC44374","625130","Present"
-"NSC625138","","","","","","","","","","","","","","","","","","","","NSC625138","","","","",NA,"PDBC44375","625138","Present"
-"NSC625182","","","","","","","","","","","","","","","","","","","","NSC625182","","C(#N)C(C#N)C(=C(C#N)C#N)C(C#N)C#N.[Na+]","WPPPJNJOBILAPF-UHFFFAOYSA-N","54608842",NA,"PDBC44376","625182","Present"
-"NSC625224","","","","","","","","","","","","","","","","","","","","NSC625224","","CCOC(=O)C1=CC=C(C=C1)C(=NNC(=S)N)C","NYOVFIKVLXMCRW-RIYZIHGNSA-N","5464931",NA,"PDBC44377","625224","Present"
-"NSC625384","","","","","","","","","","","","","","","","","","","","NSC625384","","","","",NA,"PDBC44378","625384","Present"
-"NSC625401","","","","","","","","","","","","","","","","","","","","NSC625401","","CC=CCC(C)C(C(C(=O)O)NC)O","AHQFCPOIMVMDEZ-UCBGGLTGSA-N","5387627",NA,"PDBC44379","625401","Present"
-"NSC625459","","","","","","","","","","","","","","","","","","","","NSC625459","","CCCCCCCCCCCCCCCCOP(=O)(O)OC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OP(=O)(O)OCCCCCCCCCCCCCCCC.[Na+]","MVOYZAAYVXEYKK-VLSXRWFESA-N","54607997",NA,"PDBC44380","625459","Present"
-"NSC625493","","","","","","","","","","","","","","","","","","","","NSC625493","","","","",NA,"PDBC44381","625493","Present"
-"NSC625494","","","","","","","","","","","","","","","","","","","","NSC625494","","","","",NA,"PDBC44382","625494","Present"
-"NSC625496","","","","","","","","","","","","","","","","","","","","NSC625496","","","","",NA,"PDBC44383","625496","Present"
-"NSC625500","","","","","","","","","","","","","","","","","","","","NSC625500","","","","",NA,"PDBC44384","625500","Present"
-"NSC625503","","","","","","","","","","","","","","","","","","","","NSC625503","","","","",NA,"PDBC44385","625503","Present"
-"NSC625504","","","","","","","","","","","","","","","","","","","","NSC625504","","","","",NA,"PDBC44386","625504","Present"
-"NSC625505","","","","","","","","","","","","","","","","","","","","NSC625505","","","","",NA,"PDBC44387","625505","Present"
-"NSC625507","","","","","","","","","","","","","","","","","","","","NSC625507","","","","",NA,"PDBC44388","625507","Present"
-"NSC625508","","","","","","","","","","","","","","","","","","","","NSC625508","","","","",NA,"PDBC44389","625508","Present"
-"NSC625509","","","","","","","","","","","","","","","","","","","","NSC625509","","","","",NA,"PDBC44390","625509","Present"
-"NSC625510","","","","","","","","","","","","","","","","","","","","NSC625510","","","","",NA,"PDBC44391","625510","Present"
-"NSC625511","","","","","","","","","","","","","","","","","","","","NSC625511","","","","",NA,"PDBC44392","625511","Present"
-"NSC625521","","","","","","","","","","","","","","","","","","","","NSC625521","","CCC=CC1=CC2=C(C(CC2C)C)C3=C1C=CN3.CCC=CC1=C2C(CC(C2=C3C(=C1)C=CN3)C)C.CCC1=CC2=C(C(CC2C)C)C3=C1C=CN3","CHXHHDQGDDVOMU-LCHCATCMSA-N","5387641",NA,"PDBC44393","625521","Present"
-"NSC625528","","","","","","","","","","","","","","","","","","","","NSC625528","","CC1(OC2C(O1)OC3C2(CC(=O)CC3)O)C","CIZJVNWLOIYUJC-UVCIYIGYSA-N","362030",NA,"PDBC44394","625528","Present"
-"NSC625540","","","","","","","","","","","","","","","","","","","","NSC625540","","C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3.[O-]S(=O)(=O)[O-].[Fe+2]","UDYDSHGHSODGIX-PJPLBZAPSA-L","24202086",NA,"PDBC44395","625540","Present"
-"NSC625544","","","","","","","","","","","","","","","","","","","","NSC625544","","CC(=O)[O-].C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3.[Zn]","LKQQGBLWMYDLBX-PJPLBZAPSA-M","24202088",NA,"PDBC44396","625544","Present"
-"NSC625558","","","","","","","","","","","","","","","","","","","","NSC625558","","C(CCCC1C(S1)CCCCCCO)CCCC(=O)O","ARJGPBKDKJIWBE-CABCVRRESA-N","362049",NA,"PDBC44397","625558","Present"
-"NSC625559","","","","","","","","","","","","","","","","","","","","NSC625559","","C(CCCC1C(S1)CCCCCCO)CCCC(=O)O","ARJGPBKDKJIWBE-GJZGRUSLSA-N","6711399",NA,"PDBC44398","625559","Present"
-"NSC625563","","","","","","","","","","","","","","","","","","","","NSC625563","","COC(=O)C=CC1C(C2(CCC1(N2)C(=O)OC)C(=O)OC)C(=O)OC","JZWLDPATPYTKFV-WAYWQWQTSA-N","5387654",NA,"PDBC44399","625563","Present"
-"NSC625565","","","","","","","","","","","","","","","","","","","","NSC625565","","C1C#CC=CC#CCC(C1CO)CO","RWXGVZMSGXCBST-ZLLARURESA-N","11969810",NA,"PDBC44400","625565","Present"
-"NSC625567","","","","","","","","","","","","","","","","","","","","NSC625567","","CC1C(=O)N(C2(C1(C(OC2=O)C)O)C(=O)OC)C","GXDBIVNVLFHXQZ-OYKMWWTNSA-N","362055",NA,"PDBC44401","625567","Present"
-"NSC625568","","","","","","","","","","","","","","","","","","","","NSC625568","","CC1C(=O)N(C2(C1(C(OC2=O)C)O)CO)C","TXSDNAKHRKBAPX-KHFVAWQXSA-N","362056",NA,"PDBC44402","625568","Present"
-"NSC625572","","","","","","","","","","","","","","","","","","","","NSC625572","","","","",NA,"PDBC44403","625572","Present"
-"NSC625575","","","","","","","","","","","","","","","","","","","","NSC625575","","","","",NA,"PDBC44404","625575","Present"
-"NSC625591","","","","","","","","","","","","","","","","","","","","NSC625591","","CC1=C2CCC(=C3CC4=C(C=CC=C4C3=O)C)C2=CC=C1","LTKWZEVBSMVSLA-MNDPQUGUSA-N","5387658",NA,"PDBC44405","625591","Present"
-"NSC625595","","","","","","","","","","","","","","","","","","","","NSC625595","","CC(=CC1=CC=CC=C1)C(O)S(=O)(=O)O.[Na+]","KIXNVWGEPUYGCZ-USRGLUTNSA-N","54608640",NA,"PDBC44406","625595","Present"
-"NSC625628","","","","","","","","","","","","","","","","","","","","NSC625628","","CCN(CC)CCCC(C)NC1=C2C=C(C=C(C2=NC3=C1C=CC(=C3C)Cl)C)OC.Cl","CISDVUAOIFQLIR-UHFFFAOYSA-N","362099",NA,"PDBC44407","625628","Present"
-"NSC625640","","","","","","","","","","","","","","","","","","","","NSC625640","","C1=CC=C(C=C1)C=CC(O)S(=O)(=O)O.[Na+]","HSCJSSZVOWPJTG-UHDJGPCESA-N","54600779",NA,"PDBC44408","625640","Present"
-"NSC625650","","","","","","","","","","","","","","","","","","","","NSC625650","","COC1=CC=C(C=C1)C(=NNC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC","CGAHFXXGUKHVGG-DARPEHSRSA-N","5908734",NA,"PDBC44409","625650","Present"
-"NSC625712","","","","","","","","","","","","","","","","","","","","NSC625712","","CCOC(=O)CC12CCCNC1(CCC3=CC=CC=C23)C.Cl","MYIVIVDHANPGKM-JAXOOIEVSA-N","362136",NA,"PDBC44410","625712","Present"
-"NSC625713","","","","","","","","","","","","","","","","","","","","NSC625713","","CCOC(=O)CC12CCCNC1(CCC3=CC=CC=C23)C.Br","PSIPHODYRUQRPN-MVFUPKDGSA-N","362138",NA,"PDBC44411","625713","Present"
-"NSC625734","","","","","","","","","","","","","","","","","","","","NSC625734","","CC1=CC=C(C=C1)S(=O)(=O)O.C=CCC1=C(C(=CC=C1)C=NN=C(N)NO)O","RXMGSUKNJGBTRL-QCCGTXRUSA-N","135510073",NA,"PDBC44412","625734","Present"
-"NSC625735","","","","","","","","","","","","","","","","","","","","NSC625735","","CC1=CC=C(C=C1)S(=O)(=O)O.C1OC2=C(O1)C=C(C(=C2)C=NN=C(N)NO)Cl","AKQYTBADLAGCDB-QXKVDVGOSA-N","9569921",NA,"PDBC44413","625735","Present"
-"NSC625738","","","","","","","","","","","","","","","","","","","","NSC625738","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1C=NN=C(N)NO)O)Cl)Cl","YRBHFSQIQPAZII-RZDFXPFOSA-N","135510077",NA,"PDBC44414","625738","Present"
-"NSC625740","","","","","","","","","","","","","","","","","","","","NSC625740","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1O)C=NN=C(N)NO)O)O","JGMSYMJWILQERY-HVHUWTQGSA-N","135510081",NA,"PDBC44415","625740","Present"
-"NSC625749","","","","","","","","","","","","","","","","","","","","NSC625749","","CN(C)C1=CC(=C(C=C1)C2(CC3CCCN(C3)CCC4=C2NC5=CC=CC=C45)C(=O)OC)OC","PIFNLEHBGRNRKU-VKGTZQKMSA-N","6711412",NA,"PDBC44416","625749","Present"
-"NSC625782","","","","","","","","","","","","","","","","","","","","NSC625782","","C=C1C(=O)CC23C1(CCC2)CC(C3)O","IZGISEADGNHGAL-CLGJWYQZSA-N","362191",NA,"PDBC44417","625782","Present"
-"NSC625783","","","","","","","","","","","","","","","","","","","","NSC625783","","COCOC1CC23CCCC2(C1)C(=C)C(=O)C3","DRJBQSFFNCKLBA-SBKAZOPESA-N","362192",NA,"PDBC44418","625783","Present"
-"NSC625804","","","","","","","","","","","","","","","","","","","","NSC625804","","CC1C(OP(=O)(N1C)CC=C)C2=CC=CC=C2","MYGKXPFVVGVJJU-BNLOLNQZSA-N","11969812",NA,"PDBC44419","625804","Present"
-"NSC625805","","","","","","","","","","","","","","","","","","","","NSC625805","","CC1C(OP(=O)(N1C(C)C)CC=C)C2=CC=CC=C2","GJFLEVRQAHBHOM-GSTZGWFYSA-N","11969813",NA,"PDBC44420","625805","Present"
-"NSC625806","","","","","","","","","","","","","","","","","","","","NSC625806","","CC1C(OP(=O)(N1C(C)C)CC=C)C2=CC=CC=C2","GJFLEVRQAHBHOM-GDSKCEIESA-N","11969814",NA,"PDBC44421","625806","Present"
-"NSC625807","","","","","","","","","","","","","","","","","","","","NSC625807","","CC1C(OP(=O)(N1C(C)C)CC2=CCCCC2)C3=CC=CC=C3","WVSPGKLSTNAFMP-RUMUXARQSA-N","11969815",NA,"PDBC44422","625807","Present"
-"NSC625808","","","","","","","","","","","","","","","","","","","","NSC625808","","CC1C(OP(=O)(N1C(C)C)CC2=CCCCC2)C3=CC=CC=C3","WVSPGKLSTNAFMP-GAKOPZHISA-N","11969816",NA,"PDBC44423","625808","Present"
-"NSC625857","","","","","","","","","","","","","","","","","","","","NSC625857","","","","",NA,"PDBC44424","625857","Present"
-"NSC625859","","","","","","","","","","","","","","","","","","","","NSC625859","","C1=CC=NC(=C1)NN=CC2=C(C(=CC(=C2)Cl)Cl)[OH2+].[O-]S(=O)(=O)[O-].[Fe+2]","FXYPBFWYQVMKOZ-WHYKZYOGSA-M","54607998",NA,"PDBC44425","625859","Present"
-"NSC625860","","","","","","","","","","","","","","","","","","","","NSC625860","","","","",NA,"PDBC44426","625860","Present"
-"NSC625863","","","","","","","","","","","","","","","","","","","","NSC625863","","CC(=O)[O-].C1=CC=NC(=C1)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-].[Zn+2]","KYQMNEWRYXBBAO-WHYKZYOGSA-L","54608793",NA,"PDBC44427","625863","Present"
-"NSC625864","","","","","","","","","","","","","","","","","","","","NSC625864","","CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[OH2+].[Mn+2]","ACIWNANWKFCRJV-SLWJBZKLSA-M","54600780",NA,"PDBC44428","625864","Present"
-"NSC625865","","","","","","","","","","","","","","","","","","","","NSC625865","","CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)O.[Cu+2]","KXWDNAUDPDDXEV-SLWJBZKLSA-L","135510087",NA,"PDBC44429","625865","Present"
-"NSC625866","","","","","","","","","","","","","","","","","","","","NSC625866","","C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[OH2+].[O-]S(=O)(=O)[O-].[Fe+2]","MNVZPWAECZBQAS-YDJBHICRSA-M","54608919",NA,"PDBC44430","625866","Present"
-"NSC625867","","","","","","","","","","","","","","","","","","","","NSC625867","","CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[OH2+].[Co+2]","YLOKOJBZBSLYQW-SLWJBZKLSA-M","54602254",NA,"PDBC44431","625867","Present"
-"NSC625868","","","","","","","","","","","","","","","","","","","","NSC625868","","CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[OH2+].[Zn+2]","XKRUJPZOAHSGSK-SLWJBZKLSA-M","54598752",NA,"PDBC44432","625868","Present"
-"NSC625876","","","","","","","","","","","","","","","","","","","","NSC625876","","CC(=O)C(=CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC","ODAXUXKBZGTDPI-SFQUDFHCSA-N","5387708",NA,"PDBC44433","625876","Present"
-"NSC625896","","","","","","","","","","","","","","","","","","","","NSC625896","","CC1=C(C(=CC=C1)C)NC(=O)C(=NNC(=S)N)C(C)C(=O)C2=CC=C(C=C2)Cl","IYDVSJHFCIYTOY-JJIBRWJFSA-N","5464933",NA,"PDBC44434","625896","Present"
-"NSC625902","","","","","","","","","","","","","","","","","","","","NSC625902","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C(=O)NC5=NC(=CS5)[N+](=O)[O-]","RKCBZBDWGNJAKG-ZTKZIYFRSA-N","5482449",NA,"PDBC44435","625902","Present"
-"NSC625903","","","","","","","","","","","","","","","","","","","","NSC625903","","CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)C2CC(=NO)CCC2=NO","BNIJLZFNDIVPNP-CZHHEZJISA-N","9569939",NA,"PDBC44436","625903","Present"
-"NSC625907","","","","","","","","","","","","","","","","","","","","NSC625907","","C1CC(C(=NO)C1)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl","RAOXRHLIHPVNKW-AQTBWJFISA-N","5464937",NA,"PDBC44437","625907","Present"
-"NSC625911","","","","","","","","","","","","","","","","","","","","NSC625911","","C1=CC(=CC=C1C(=O)CC(=NO)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl","AXDXLJQAAHHNJA-UCQKPKSFSA-N","5464939",NA,"PDBC44438","625911","Present"
-"NSC625912","","","","","","","","","","","","","","","","","","","","NSC625912","","C1C(C(=NNC(=O)C(=O)N)C2=CC=CC=C21)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","AMYBEIWLALUSRY-OYKKKHCWSA-N","5479890",NA,"PDBC44439","625912","Present"
-"NSC625915","","","","","","","","","","","","","","","","","","","","NSC625915","","CC1=CC=CC=C1NC(=O)C(=NNC(=O)CC#N)C2C(=NN(C2=O)C3=CC=CC=C3)N","YLUYSEGYTYPHBT-NLRVBDNBSA-N","5464940",NA,"PDBC44440","625915","Present"
-"NSC625916","","","","","","","","","","","","","","","","","","","","NSC625916","","C1C2CC3CC1CC(C2)C3NC(=O)C(=NNC(=S)N)C(C#N)C4=CC=C(C=C4)Cl","AFYWNGRXUNAXHE-LGUFXXKBSA-N","5464941",NA,"PDBC44441","625916","Present"
-"NSC625917","","","","","","","","","","","","","","","","","","","","NSC625917","","CC1=C(C=C(C=C1)NC(=O)C(=NNC(=O)CC#N)C2C(=NN(C2=O)C3=CC=CC=C3)N)C","HSQMSZRNNFXZJZ-ZXVVBBHZSA-N","5464942",NA,"PDBC44442","625917","Present"
-"NSC625918","","","","","","","","","","","","","","","","","","","","NSC625918","","C1=CC=C(C=C1)NC(=O)C(=NNC(=O)CC#N)C2C(=NN(C2=O)C3=CC=CC=C3)N","YIGZJIFLHVGTLS-KOEQRZSOSA-N","5464943",NA,"PDBC44443","625918","Present"
-"NSC625996","","","","","","","","","","","","","","","","","","","","NSC625996","","CC1=CC2=C(C=C1)OC3CC(C(C2(O3)C)O)N.Cl","UXUGCUANIGOZAN-UHFFFAOYSA-N","362337",NA,"PDBC44444","625996","Present"
-"NSC626015","","","","","","","","","","","","","","","","","","","","NSC626015","","C1=CC(=O)C=CC1=CC=C2C=CN(C=C2)CCCCCCCCCCC(=O)NCCCCCCCCCCCC(=O)O.[K+]","PYZPAAKJTKYRIY-UHFFFAOYSA-N","54608925",NA,"PDBC44445","626015","Present"
-"NSC626093","","","","","","","","","","","","","","","","","","","","NSC626093","","C1=CC=C(C=C1)C2=NN(C3C2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","SQGCRBFITJUIPX-PZJWPPBQSA-N","362349",NA,"PDBC44446","626093","Present"
-"NSC626103","","","","","","","","","","","","","","","","","","","","NSC626103","","CC1=C2C(=CC=C1)C(=C(N2)C)C3CC4=CC=CC=C4N3.Cl","RHOBDYIETGUJAR-UHFFFAOYSA-N","362358",NA,"PDBC44447","626103","Present"
-"NSC626114","","","","","","","","","","","","","","","","","","","","NSC626114","","CC1=C2C(=CC=C1)CC(N2)C3=C(NC4=CC=CC=C43)C.Cl","GZUUFWCYADKVGX-UHFFFAOYSA-N","362369",NA,"PDBC44448","626114","Present"
-"NSC626115","","","","","","","","","","","","","","","","","","","","NSC626115","","CC1=NC2=CC=CC=C2C1C(CC3=CC=CC=C3N)C4=C(NC5=CC=CC=C54)C.Cl","IHKILYGEXKKNSB-UHFFFAOYSA-N","362371",NA,"PDBC44449","626115","Present"
-"NSC626147","","","","","","","","","","","","","","","","","","","","NSC626147","","COC1=C(C=C(C=C1)C2C(CC3=C(O2)C4=C(C=C3O)OC(C(C4C5=C(C=C(C=C5)O)O)O)C6=CC(=C(C=C6)O)O)O)O","SZFJUXKCFZRGQY-GKWSRHLOSA-N","362380",NA,"PDBC44450","626147","Present"
-"NSC626154","","","","","","","","","","","","","","","","","","","","NSC626154","","CC1=CC(=C(C(=C1)C)[Se]C(=C(C(=O)OC)[Se]C2=C(C=C(C=C2C)C)C)C(=O)OC)C","CTXRTQSZWDHWMW-DQRAZIAOSA-N","5387720",NA,"PDBC44451","626154","Present"
-"NSC626178","","","","","","","","","","","","","","","","","","","","NSC626178","","COC12CCC(=O)N1C=CC3=C2NC4=CC=CC=C34","RTFHEMDXAFYHIT-HNNXBMFYSA-N","362413",NA,"PDBC44452","626178","Present"
-"NSC626314","","","","","","","","","","","","","","","","","","","","NSC626314","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=CS6","OVWFAWRMPNWMEF-CAFPXWFDSA-N","362422",NA,"PDBC44453","626314","Present"
-"NSC626315","","","","","","","","","","","","","","","","","","","","NSC626315","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NS(=O)(=O)C","MWFXNFJHEFQNFL-HHMQWJBCSA-N","362423",NA,"PDBC44454","626315","Present"
-"NSC626316","","","","","","","","","","","","","","","","","","","","NSC626316","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC(CO)O","LEKYLXNCQMVSSQ-MROLYBRHSA-N","362424",NA,"PDBC44455","626316","Present"
-"NSC626317","","","","","","","","","","","","","","","","","","","","NSC626317","","COC1=CC(=CC(=C1OC)OC)CNC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)OC)OC","XHZSKDSLWRZSAI-CXEDQTEGSA-N","6711426",NA,"PDBC44456","626317","Present"
-"NSC626364","","","","","","","","","","","","","","","","","","","","NSC626364","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)N","WZTRSUUEQXXWCN-JITSLDRASA-N","362428",NA,"PDBC44457","626364","Present"
-"NSC626369","","","","","","","","","","","","","","","","","","","","NSC626369","","CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)O","DDLLIYKVDWPHJI-UHFFFAOYSA-N","101109",NA,"PDBC44458","626369","Present"
-"NSC626387","","","","","","","","","","","","","","","","","","","","NSC626387","","C1CCCCCC2C(CCCC1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","ZZOZTSABWCMERV-SGSKBCOPSA-N","362438",NA,"PDBC44459","626387","Present"
-"NSC626392","","","","","","","","","","","","","","","","","","","","NSC626392","","CCCCN1C(=O)C2C3CCCCC3C4=C(C2C1=O)NC5=CC=CC=C54.CCCCN1C(=O)C2C3CCCCC3C4=C(C2C1=O)NC5=CC=CC=C54","KUJNOWPKGHADQW-SQGPRNPQSA-N","362443",NA,"PDBC44460","626392","Present"
-"NSC626394","","","","","","","","","","","","","","","","","","","","NSC626394","","C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","YQDIZAHKTNEAGG-ZPZXEDMMSA-N","362447",NA,"PDBC44461","626394","Present"
-"NSC626438","","","","","","","","","","","","","","","","","","","","NSC626438","","CC12C(C(=C(C1(C(C(=C2C(=O)OC(C)(C)C)OC)C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C)OC)C(=O)OC(C)(C)C","BBWYSQXFSAQHLP-UBCSFUFESA-N","362482",NA,"PDBC44462","626438","Present"
-"NSC626499","","","","","","","","","","","","","","","","","","","","NSC626499","","CC(C)(C)OC(=O)NC1C(N(C1=O)CC2=CC=CC=C2)OC","LKHXUOQOKJBDHW-PUODRLBUSA-N","362489",NA,"PDBC44463","626499","Present"
-"NSC626531","","","","","","","","","","","","","","","","","","","","NSC626531","","C1=CC(=C(C=C1C2=NC3=C(C=C(C=C3)Cl)C(=N2)C(=O)O)Cl)Cl.[Na+]","KHVBUAIDOBYJDS-UHFFFAOYSA-N","54608081",NA,"PDBC44464","626531","Present"
-"NSC626534","","","","","","","","","","","","","","","","","","","","NSC626534","","COC1=C(C=C(C=C1)CC23CCC(=O)N2CCC4=CC(=C(C=C34)O)OC)O","GWKQLHJGOTWSOD-NRFANRHFSA-N","362512",NA,"PDBC44465","626534","Present"
-"NSC626535","","","","","","","","","","","","","","","","","","","","NSC626535","","COC1=C(C=C(C=C1)CC23CCC(=O)N2CCC4=CC(=C(C=C34)O)OC)OC","AJTRTRRZURYJBQ-QFIPXVFZSA-N","362513",NA,"PDBC44466","626535","Present"
-"NSC626541","","","","","","","","","","","","","","","","","","","","NSC626541","","CCN(CCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","PJFAIZDZIBOSRU-UHFFFAOYSA-N","362519",NA,"PDBC44467","626541","Present"
-"NSC626544","","","","","","","","","","","","","","","","","","","","NSC626544","","C1CO[SiH]2OCCN1CCO2","PZRZYNDNPQRQRN-UHFFFAOYSA-N","67509",NA,"PDBC44468","626544","Present"
-"NSC626623","","","","","","","","","","","","","","","","","","","","NSC626623","","CC(=O)N1C(CSC1C2=CC=C(C=C2)F)C(=O)O","QRPAQKCEQIGTSY-QWRGUYRKSA-N","670838",NA,"PDBC44469","626623","Present"
-"NSC626624","","","","","","","","","","","","","","","","","","","","NSC626624","","CC(=O)N1C(CSC1C2=CC=NC=C2)C(=O)O","PGNNUDBPLCZCCO-UWVGGRQHSA-N","6711432",NA,"PDBC44470","626624","Present"
-"NSC626659","","","","","","","","","","","","","","","","","","","","NSC626659","","COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)OC)Cl","MAKSLGJOEWEGAR-AAFJCEBUSA-N","362576",NA,"PDBC44471","626659","Present"
-"NSC626660","","","","","","","","","","","","","","","","","","","","NSC626660","","CCN(C1C(N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=CC=C4","GCFVHYZHIZAETE-XZOQPEGZSA-N","362577",NA,"PDBC44472","626660","Present"
-"NSC626662","","","","","","","","","","","","","","","","","","","","NSC626662","","CCOC(=O)N1CCC(=O)CC1CC=CP2(=O)N(C(C(O2)C3=CC=CC=C3)C)C(C)C","WRHCAISPSIPKAB-FEBVZIRBSA-N","11969826",NA,"PDBC44473","626662","Present"
-"NSC626674","","","","","","","","","","","","","","","","","","","","NSC626674","","CCCC(C)OC1C2C(C(C3(C(O3)C(C(C1O)C)O)C)O)OC(=O)C2=C","GNBRHOPRGGHGSK-UGMSZZGASA-N","362585",NA,"PDBC44474","626674","Present"
-"NSC626675","","","","","","","","","","","","","","","","","","","","NSC626675","","CC1CCC2C(C3(C1(C(CC3=O)O)O)C)OC(=O)C2=C","YAPWFHYBVVSYKK-YLQFPQMBSA-N","362586",NA,"PDBC44475","626675","Present"
-"NSC626676","","","","","","","","","","","","","","","","","","","","NSC626676","","CC1CCC2C(C(=O)OC2C3(C1(C=CC3=O)O)C)CN(C)C","YMRQZAAIPRJGON-QUWBOTNGSA-N","362587",NA,"PDBC44476","626676","Present"
-"NSC626677","","","","","","","","","","","","","","","","","","","","NSC626677","","CC1CCC2C(C(=O)OC2C3(C1(C(CC3=O)N4CCCCC4)O)C)CN5CCCCC5","OHHTTZSMJOEEAZ-QHSLKNLFSA-N","362588",NA,"PDBC44477","626677","Present"
-"NSC626678","","","","","","","","","","","","","","","","","","","","NSC626678","","CC1=C2C=CC(=O)C2(C3C(CC1)C(=C)C(=O)O3)C","XSWAZIGOOCZRGU-KHXKVGHRSA-N","362589",NA,"PDBC44478","626678","Present"
-"NSC626679","","","","","","","","","","","","","","","","","","","","NSC626679","","CC1CCC2C(C3(C14C3CC(=O)O4)C)OC(=O)C2=C","XCWJSHURQAZVSN-UAFZAHEYSA-N","362590",NA,"PDBC44479","626679","Present"
-"NSC626775","","","","","","","","","","","","","","","","","","","","NSC626775","","CC1CCC2C3(CCC(C(C3CCC2(C14CC5=C(O4)C(=CC(=C5OC(=O)C)OC(=O)C)C)C)(C)C)OC(=O)C)C","QYWYPTRFMCEXQU-ZHMYYJQCSA-N","362629",NA,"PDBC44480","626775","Present"
-"NSC626776","","","","","","","","","","","","","","","","","","","","NSC626776","","CC1=CC(=CC2=C1OC3(CCC4C5(CCC(C(C5CCC4(C3C2)C)(C)C)OC(=O)C)C)C)O","XKVBAMSBWAVUFF-DWQKFTCOSA-N","362630",NA,"PDBC44481","626776","Present"
-"NSC626810","","","","","","","","","","","","","","","","","","","","NSC626810","","","","",NA,"PDBC44482","626810","Present"
-"NSC626812","","","","","","","","","","","","","","","","","","","","NSC626812","","","","",NA,"PDBC44483","626812","Present"
-"NSC626813","","","","","","","","","","","","","","","","","","","","NSC626813","","","","",NA,"PDBC44484","626813","Present"
-"NSC626814","","","","","","","","","","","","","","","","","","","","NSC626814","","","","",NA,"PDBC44485","626814","Present"
-"NSC626815","","","","","","","","","","","","","","","","","","","","NSC626815","","","","",NA,"PDBC44486","626815","Present"
-"NSC626816","","","","","","","","","","","","","","","","","","","","NSC626816","","","","",NA,"PDBC44487","626816","Present"
-"NSC626818","","","","","","","","","","","","","","","","","","","","NSC626818","","","","",NA,"PDBC44488","626818","Present"
-"NSC626819","","","","","","","","","","","","","","","","","","","","NSC626819","","","","",NA,"PDBC44489","626819","Present"
-"NSC626820","","","","","","","","","","","","","","","","","","","","NSC626820","","","","",NA,"PDBC44490","626820","Present"
-"NSC626825","","","","","","","","","","","","","","","","","","","","NSC626825","","COC1=C(C(=C(C=C1)C=NN=C(N)N)C(=O)O)OC.[N+](=O)(O)[O-]","SHRYGACGVRTIIX-OCSIRBNJSA-N","54608662",NA,"PDBC44491","626825","Present"
-"NSC626851","","","","","","","","","","","","","","","","","","","","NSC626851","","C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.[Zn+2]","XNDQREBZSAJDOR-UHFFFAOYSA-L","362642",NA,"PDBC44492","626851","Present"
-"NSC626856","","","","","","","","","","","","","","","","","","","","NSC626856","","C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.[Cu+2]","CPGVCMZMQMQPGT-UHFFFAOYSA-L","362644",NA,"PDBC44493","626856","Present"
-"NSC626857","","","","","","","","","","","","","","","","","","","","NSC626857","","C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.[Ni+2]","NFWHRFZGSQZQFL-UHFFFAOYSA-L","362645",NA,"PDBC44494","626857","Present"
-"NSC626858","","","","","","","","","","","","","","","","","","","","NSC626858","","C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.[Co+2]","FHRXOVGYWUBUAN-UHFFFAOYSA-L","362646",NA,"PDBC44495","626858","Present"
-"NSC626874","","","","","","","","","","","","","","","","","","","","NSC626874","","CN(C)CC1CCC(=CC2=CC=CC=C2OC)C1=O.Cl","FARKULNBEWZYTE-RSGUCCNWSA-N","5387758",NA,"PDBC44496","626874","Present"
-"NSC626933","","","","","","","","","","","","","","","","","","","","NSC626933","","C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F","RDYJUVZFLCNBPH-CYBMUJFWSA-N","362694",NA,"PDBC44497","626933","Present"
-"NSC626935","","","","","","","","","","","","","","","","","","","","NSC626935","","C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","VMUUBYKWPNNGRO-CYBMUJFWSA-N","362696",NA,"PDBC44498","626935","Present"
-"NSC626936","","","","","","","","","","","","","","","","","","","","NSC626936","","C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","VMUUBYKWPNNGRO-ZDUSSCGKSA-N","362697",NA,"PDBC44499","626936","Present"
-"NSC626937","","","","","","","","","","","","","","","","","","","","NSC626937","","C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2","UDTRIHNSADWKRA-QGZVFWFLSA-N","362698",NA,"PDBC44500","626937","Present"
-"NSC626938","","","","","","","","","","","","","","","","","","","","NSC626938","","C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2","UDTRIHNSADWKRA-KRWDZBQOSA-N","362699",NA,"PDBC44501","626938","Present"
-"NSC626953","","","","","","","","","","","","","","","","","","","","NSC626953","","CC=CC(=O)C(C(C)C)O","PISGFDGTPRVQLD-ZJELKQJVSA-N","11969830",NA,"PDBC44502","626953","Present"
-"NSC627018","","","","","","","","","","","","","","","","","","","","NSC627018","","C1=CC=C(C=C1)C2C(N(C(=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5","PRBTUOYSWHEHNE-UIOOFZCWSA-N","6711437",NA,"PDBC44503","627018","Present"
-"NSC627021","","","","","","","","","","","","","","","","","","","","NSC627021","","C1C=CC2C1CN3CC4CC=CC4C5=C3C2=CC(=C5)C(=O)O","IMJRVLOUNFCYRI-CNFGXJBXSA-N","362761",NA,"PDBC44504","627021","Present"
-"NSC627122","","","","","","","","","","","","","","","","","","","","NSC627122","","CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N2C.[I-]","CVOLFIZKQKDSQF-UHFFFAOYSA-M","362807",NA,"PDBC44505","627122","Present"
-"NSC627170","","","","","","","","","","","","","","","","","","","","NSC627170","","CC(C(C1=CC=CC=C1)N)NC.Cl","QDUCHQBWHJUASG-KXNXZCPBSA-N","11969835",NA,"PDBC44506","627170","Present"
-"NSC627171","","","","","","","","","","","","","","","","","","","","NSC627171","","CC(C(C1=CC=CC=C1)N)NC.C(C(C(=O)O)O)(C(=O)O)O","ONJYEUGVOBVYGD-GNAZCLTHSA-N","6711443",NA,"PDBC44507","627171","Present"
-"NSC627172","","","","","","","","","","","","","","","","","","","","NSC627172","","CC(C(C1=CC=CC=C1)NC)NC.Cl","CCEJDCZZAVKMMA-QLSWKGBWSA-N","11969836",NA,"PDBC44508","627172","Present"
-"NSC627173","","","","","","","","","","","","","","","","","","","","NSC627173","","CC(C(C1=CC=CC=C1)NC)NC.Cl","CCEJDCZZAVKMMA-ROLPUNSJSA-N","11969837",NA,"PDBC44509","627173","Present"
-"NSC627181","","","","","","","","","","","","","","","","","","","","NSC627181","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(C3=CC4=CC=CC=C4)N=NC5=C(C=CC=C5O)O","ROXLNVPCACNANI-SMGUQIAASA-N","135510089",NA,"PDBC44510","627181","Present"
-"NSC627212","","","","","","","","","","","","","","","","","","","","NSC627212","","CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O","LIZVXGBYTGTTTI-AWEZNQCLSA-N","362840",NA,"PDBC44511","627212","Present"
-"NSC627213","","","","","","","","","","","","","","","","","","","","NSC627213","","C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F","IOEALHKIPHQKEL-LJQANCHMSA-N","362841",NA,"PDBC44512","627213","Present"
-"NSC627218","","","","","","","","","","","","","","","","","","","","NSC627218","","CC(=NNC(=S)N)C1=CC=C(C=C1)C(=NNC(=S)N)C","IFFLYNGBOLZAGJ-BGPOSVGRSA-N","5464947",NA,"PDBC44513","627218","Present"
-"NSC627257","","","","","","","","","","","","","","","","","","","","NSC627257","","C1COCCN1C2=C(N=NN2C3=CC=C(C=C3)[N+](=O)[O-])CC4(C(C(=C(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","UFQMKVBMEPWSDP-PYLAIEKPSA-N","362853",NA,"PDBC44514","627257","Present"
-"NSC627318","","","","","","","","","","","","","","","","","","","","NSC627318","","CCOC(=O)C1=C(OC=N1)C2COC(O2)(C)C","LWAPQPQCQMNUHB-SSDOTTSWSA-N","6711450",NA,"PDBC44515","627318","Present"
-"NSC627319","","","","","","","","","","","","","","","","","","","","NSC627319","","CCC12CCCC13C=CC(O3)C(C2=O)(C)C","NRZCFVLKRLYNNH-WOPFXOFLSA-N","362874",NA,"PDBC44516","627319","Present"
-"NSC627322","","","","","","","","","","","","","","","","","","","","NSC627322","","","","",NA,"PDBC44517","627322","Present"
-"NSC627375","","","","","","","","","","","","","","","","","","","","NSC627375","","CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=C(C=C2)[N+](C)(C)C.COS(=O)(=O)[O-]","IAXVPRPONOUKGV-UHFFFAOYSA-N","10766607",NA,"PDBC44518","627375","Present"
-"NSC627397","","","","","","","","","","","","","","","","","","","","NSC627397","","CN1C=C(C2=CC=CC=C21)C(=O)C(=C(C(=O)O)Cl)Cl","DWFOLCNMMIPOQT-ZHACJKMWSA-N","3001919",NA,"PDBC44519","627397","Present"
-"NSC627398","","","","","","","","","","","","","","","","","","","","NSC627398","","CC1=C(C2=CC=CC=C2N1)CCC(=NNC3=CC=CC=C3)C4=CC=CC=C4","FDTIXVAECFPTGE-SLEBQGDGSA-N","5464952",NA,"PDBC44520","627398","Present"
-"NSC627409","","","","","","","","","","","","","","","","","","","","NSC627409","","CCNC1C2(CCCCC2)C(=O)NC13CCCCC3","FIVJYMCKWGPQTN-UHFFFAOYSA-N","362933",NA,"PDBC44521","627409","Present"
-"NSC627447","","","","","","","","","","","","","","","","","","","","NSC627447","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C(=O)CCCCCCCCCCNC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)CO)O)O","SRFMWVMOIXLPID-UHFFFAOYSA-N","362956",NA,"PDBC44522","627447","Present"
-"NSC627461","","","","","","","","","","","","","","","","","","","","NSC627461","","","","",NA,"PDBC44523","627461","Present"
-"NSC627462","","","","","","","","","","","","","","","","","","","","NSC627462","","","","",NA,"PDBC44524","627462","Present"
-"NSC627474","","","","","","","","","","","","","","","","","","","","NSC627474","","","","",NA,"PDBC44525","627474","Present"
-"NSC627506","","","","","","","","","","","","","","","","","","","","NSC627506","","CC1=CC2C(CC1)C(C3=C2C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65","JJBFCBBFYLXEGZ-OATREDKOSA-N","362974",NA,"PDBC44526","627506","Present"
-"NSC627510","","","","","","","","","","","","","","","","","","","","NSC627510","","COC1CC2C(CC1O)CC3=C4C2=NC=CC4=CC(=C3OC)OC.Cl","KBHDZLKVEGKQBL-UHFFFAOYSA-N","362978",NA,"PDBC44527","627510","Present"
-"NSC627514","","","","","","","","","","","","","","","","","","","","NSC627514","","CC1=CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)C4=CC(=C(C=C14)OC)OC.[Cl-]","PQCILJDFQXWZSP-UHFFFAOYSA-M","362984",NA,"PDBC44528","627514","Present"
-"NSC627515","","","","","","","","","","","","","","","","","","","","NSC627515","","CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2CN3CCC4=CC=CC=C43)Br)OC.Cl","VGKMNQCGQFTKAD-UHFFFAOYSA-N","362986",NA,"PDBC44529","627515","Present"
-"NSC627526","","","","","","","","","","","","","","","","","","","","NSC627526","","CCOC1=C(C=C(C=C1)C=C2C(=NC(=NC2=O)N)N)OCC","KLFYCKLRTAKFOE-JXMROGBWSA-N","5387799",NA,"PDBC44530","627526","Present"
-"NSC627547","","","","","","","","","","","","","","","","","","","","NSC627547","","C1CC(N(C1)C(=O)C2=CC=C(C=C2)C(C#N)C#N)CO","YFVRTGMZQAZDTA-AWEZNQCLSA-N","363008",NA,"PDBC44531","627547","Present"
-"NSC627549","","","","","","","","","","","","","","","","","","","","NSC627549","","COC1=C(C=C2C(=C1)COC(=O)C2=CC3=CC=CC=C3N)OC","NFKJEGSFERZUAD-VGOFMYFVSA-N","5387801",NA,"PDBC44532","627549","Present"
-"NSC627553","","","","","","","","","","","","","","","","","","","","NSC627553","","C1=CC=C(C=C1)C2C3=C(SC(=C3C(S2(=O)=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","LYCCTLPTCSTPFD-RNPORBBMSA-N","6711453",NA,"PDBC44533","627553","Present"
-"NSC627554","","","","","","","","","","","","","","","","","","","","NSC627554","","C1=CC=C(C=C1)C2C3=C(SC(=C3C(S2=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","ILQBEKAZAUJVSO-XYKNMAAKSA-N","6711454",NA,"PDBC44534","627554","Present"
-"NSC627636","","","","","","","","","","","","","","","","","","","","NSC627636","","CC(=O)OC1C=CCC(=C2C1(C(=O)CC2)C)C(=O)OC","GNCMERYPUNFKLK-WUJWULDRSA-N","363075",NA,"PDBC44535","627636","Present"
-"NSC627642","","","","","","","","","","","","","","","","","","","","NSC627642","","","","",NA,"PDBC44536","627642","Present"
-"NSC627649","","","","","","","","","","","","","","","","","","","","NSC627649","","COC1=C(C(=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)OC(=O)C4=CC=CC=C4)OC)OC","XEEHTFAGYISFAM-VWLOTQADSA-N","6711455",NA,"PDBC44537","627649","Present"
-"NSC627673","","","","","","","","","","","","","","","","","","","","NSC627673","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C4=C3C2CC4=NOS(=O)(=O)C5=CC=C(C=C5)C)OC)OC","RBNCQGFMMWCRDI-XAYXJRQQSA-N","5464954",NA,"PDBC44538","627673","Present"
-"NSC627683","","","","","","","","","","","","","","","","","","","","NSC627683","","COC1=CC(=C(C=C1)Br)NN=C2CCCNC2=O","IKADOQVFXLZHOR-XNTDXEJSSA-N","5464955",NA,"PDBC44539","627683","Present"
-"NSC627689","","","","","","","","","","","","","","","","","","","","NSC627689","","C1CC2=C(C(=NO)C1)C(=CC(=O)N2)CC(=O)O","RLZWQMRWZTZRHF-MDWZMJQESA-N","135510091",NA,"PDBC44540","627689","Present"
-"NSC627697","","","","","","","","","","","","","","","","","","","","NSC627697","","CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCN)OC(=O)CCCN.C(=O)(C(F)(F)F)O","HFBRTHBMFOYPDL-UHFFFAOYSA-N","363131",NA,"PDBC44541","627697","Present"
-"NSC627741","","","","","","","","","","","","","","","","","","","","NSC627741","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C=NNS(=O)(=O)C4=CC=C(C=C4)Cl.COS(=O)(=O)[O-]","QGXXGVHPPOPAFQ-UHFFFAOYSA-N","24202097",NA,"PDBC44542","627741","Present"
-"NSC627742","","","","","","","","","","","","","","","","","","","","NSC627742","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C=NNS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O.COS(=O)(=O)[O-]","NVGRPHMLWIAWNB-UHFFFAOYSA-N","24202098",NA,"PDBC44543","627742","Present"
-"NSC627743","","","","","","","","","","","","","","","","","","","","NSC627743","","CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.COS(=O)(=O)[O-]","XOTGQFIVRAPDER-UHFFFAOYSA-N","24202099",NA,"PDBC44544","627743","Present"
-"NSC627744","","","","","","","","","","","","","","","","","","","","NSC627744","","C[N+]1=C2C=CC=C(C2=CC3=CC=CC=C31)CNC(CCCN=C(N)N)C(=O)O.COS(=O)(=O)[O-]","BFTUICNMAOUWLQ-UHFFFAOYSA-N","24202100",NA,"PDBC44545","627744","Present"
-"NSC627745","","","","","","","","","","","","","","","","","","","","NSC627745","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC(CCC(=O)N)C(=O)O.COS(=O)(=O)[O-]","AAACELIWZNGDOY-UHFFFAOYSA-N","24202101",NA,"PDBC44546","627745","Present"
-"NSC627746","","","","","","","","","","","","","","","","","","","","NSC627746","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC(CS)C(=O)O.COS(=O)(=O)[O-]","BQNUDAFZHCJMBF-UHFFFAOYSA-N","24202102",NA,"PDBC44547","627746","Present"
-"NSC627747","","","","","","","","","","","","","","","","","","","","NSC627747","","CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.COS(=O)(=O)[O-]","VDUJWAWYHLSCBW-UHFFFAOYSA-N","24202103",NA,"PDBC44548","627747","Present"
-"NSC627748","","","","","","","","","","","","","","","","","","","","NSC627748","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNCC(=O)O.COS(=O)(=O)[O-]","VPWPLWSGRHQIPK-UHFFFAOYSA-N","24202104",NA,"PDBC44549","627748","Present"
-"NSC627749","","","","","","","","","","","","","","","","","","","","NSC627749","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N.COS(=O)(=O)[O-]","YLBLQRVXOLBFCU-UHFFFAOYSA-M","24202105",NA,"PDBC44550","627749","Present"
-"NSC627783","","","","","","","","","","","","","","","","","","","","NSC627783","","CC1(C2C3CCCC3C2C(=O)C=C1OC)C(=O)OC","SHZJQHXFQWSACD-QSEDKNRKSA-N","6711461",NA,"PDBC44551","627783","Present"
-"NSC627785","","","","","","","","","","","","","","","","","","","","NSC627785","","CC1(CCCC(C1)(C)C2=C(C3=C(COC3=O)C=C2)CC(=O)OC)C","STOHZNYQWIBESP-FQEVSTJZSA-N","363181",NA,"PDBC44552","627785","Present"
-"NSC627786","","","","","","","","","","","","","","","","","","","","NSC627786","","CC1=CC(=CC2=C1OC3(CCC4C5(CCC(C(C5CCC4(C3C2)C)(C)C)O)C)C)O","LRMHPGVONLYGQD-GKKJDNLLSA-N","363182",NA,"PDBC44553","627786","Present"
-"NSC627877","","","","","","","","","","","","","","","","","","","","NSC627877","","CCOC(=O)C1C2(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C(N(C4=CC=CC=C24)C(=O)C)C(=CC(=O)OC)C=CC(=O)OC","WBODFZWALHWKTH-IJBSNVCRSA-N","5387834",NA,"PDBC44554","627877","Present"
-"NSC627878","","","","","","","","","","","","","","","","","","","","NSC627878","","COC1=C(C2=C3C(CCN2)NCCC3=C1)OCC4=CC=CC=C4.Cl","GLAQTUWLCGOIOO-UHFFFAOYSA-N","363203",NA,"PDBC44555","627878","Present"
-"NSC627884","","","","","","","","","","","","","","","","","","","","NSC627884","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NC(CCCN=C(N)N)C(=O)O.COS(=O)(=O)[O-]","UDFUACSJYPHQNZ-UHFFFAOYSA-N","24202109",NA,"PDBC44556","627884","Present"
-"NSC627885","","","","","","","","","","","","","","","","","","","","NSC627885","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NC(CCC(=O)N)C(=O)O.COS(=O)(=O)[O-]","ZAKUWDVKTNODEI-UHFFFAOYSA-N","24202110",NA,"PDBC44557","627885","Present"
-"NSC627886","","","","","","","","","","","","","","","","","","","","NSC627886","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NC(CS)C(=O)O.COS(=O)(=O)[O-]","LHZIMORRXVNRKB-UHFFFAOYSA-N","24202111",NA,"PDBC44558","627886","Present"
-"NSC627887","","","","","","","","","","","","","","","","","","","","NSC627887","","CC(C)C(C(=O)O)NC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.COS(=O)(=O)[O-]","DWDOFYBJWVMFBY-UHFFFAOYSA-N","24202112",NA,"PDBC44559","627887","Present"
-"NSC627888","","","","","","","","","","","","","","","","","","","","NSC627888","","C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NCC(=O)O.COS(=O)(=O)[O-]","LDRAGONGEXOUCW-UHFFFAOYSA-N","24202113",NA,"PDBC44560","627888","Present"
-"NSC627952","","","","","","","","","","","","","","","","","","","","NSC627952","","COC(=O)CCC12CCC(=O)C1C(CC2C(=O)OC)C(=O)OC","FXLJMFHFCHQBOQ-PZXOYROASA-N","363217",NA,"PDBC44561","627952","Present"
-"NSC628002","","","","","","","","","","","","","","","","","","","","NSC628002","","C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3S4(=O)=O","UPTXECXZLCKHIL-PJPHBNEVSA-N","363254",NA,"PDBC44562","628002","Present"
-"NSC628004","","","","","","","","","","","","","","","","","","","","NSC628004","","C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3S4","WXWVOJOULGDMST-PJPHBNEVSA-N","363255",NA,"PDBC44563","628004","Present"
-"NSC628081","","","","","","","","","","","","","","","","","","","","NSC628081","","C1=C(C(=O)NC(=O)N1C(=O)NCCCCCCNC(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C(C(C(C(CO)O)O)O)O)F","UVJLYUIXFSHKCE-UHFFFAOYSA-N","363286",NA,"PDBC44564","628081","Present"
-"NSC628082","","","","","","","","","","","","","","","","","","","","NSC628082","","C1=C(C(=O)NC(=O)N1C(=O)NCCCCCCNC(=O)NCCCOCCOCCCNC(=O)C(C(C(C(CO)O)O)O)O)F","OQWLQKUFWVLBAZ-UHFFFAOYSA-N","438243",NA,"PDBC44565","628082","Present"
-"NSC628119","","","","","","","","","","","","","","","","","","","","NSC628119","","CN1CCC2=CC(=C(C3=C2C1C(C4=CC=CC=C43)C(C5=CC=CC=C5)O)OC)OC.Cl","RSHHAIFLGRELGN-UHFFFAOYSA-N","363299",NA,"PDBC44566","628119","Present"
-"NSC628120","","","","","","","","","","","","","","","","","","","","NSC628120","","CCC1CC(=O)C2=C(C1(C#N)C(=O)OC(C)(C)C)C=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O","ZSVSUEBJHBHELI-NRRJATNASA-N","6711462",NA,"PDBC44567","628120","Present"
-"NSC628188","","","","","","","","","","","","","","","","","","","","NSC628188","","CC1=C(C2=CC=CC=C2N1C)CCC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4","SLLUMHGCNASMKN-XTCLZLMSSA-N","5464970",NA,"PDBC44568","628188","Present"
-"NSC628193","","","","","","","","","","","","","","","","","","","","NSC628193","","CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)C#CC5=CC=C(C=C5)[N+](=O)[O-].Cl","GMWWTWAFKCEFHX-UHFFFAOYSA-N","363336",NA,"PDBC44569","628193","Present"
-"NSC628194","","","","","","","","","","","","","","","","","","","","NSC628194","","C1CCC2(CC1)C3CCCCC3NC2=O","BCCUWGUVYFRVJW-WDEREUQCSA-N","363338",NA,"PDBC44570","628194","Present"
-"NSC628195","","","","","","","","","","","","","","","","","","","","NSC628195","","C1CCC2(CC1)C3=C(C(=NO)CCCC3)NC2=O","BAMMPARCPLJOMP-LFIBNONCSA-N","5494328",NA,"PDBC44571","628195","Present"
-"NSC628205","","","","","","","","","","","","","","","","","","","","NSC628205","","C1CCCC2(CC1)C3=C(C(=NO)CCCCC3)NC2=O","VEGAYTZDWYFZMQ-QGOAFFKASA-N","5494329",NA,"PDBC44572","628205","Present"
-"NSC628235","","","","","","","","","","","","","","","","","","","","NSC628235","","C1CN(CCN1CCC2=CC=C(C=C2)N)C3=CC=CC(=C3)C(F)(F)F.Cl","CZJLKOAHUHLONK-UHFFFAOYSA-N","363352",NA,"PDBC44573","628235","Present"
-"NSC628240","","","","","","","","","","","","","","","","","","","","NSC628240","","CN(C)CC[N+](=C(C1=CC=CC=C1)C23CC4CC(C2)CC(C4)C3)[O-]","QRGIEPPIPNRNHB-BSYVCWPDSA-N","5387843",NA,"PDBC44574","628240","Present"
-"NSC628243","","","","","","","","","","","","","","","","","","","","NSC628243","","CC1(C2=C(C(=C(C(=C2)C(=O)OC)C(=O)OC)N)C(=N)N1C3=CC=CC=C3)C(=CC(=O)OC)C(=O)OC","GKDZAAVJGVVKFV-IHPQIPKLSA-N","5387844",NA,"PDBC44575","628243","Present"
-"NSC628245","","","","","","","","","","","","","","","","","","","","NSC628245","","CC12CCN(C3C1(C(CCC3)CC4=C2C=CC(=C4)O)C)C","JOMWFIDLECFQFC-UQQIVXHISA-N","363362",NA,"PDBC44576","628245","Present"
-"NSC628246","","","","","","","","","","","","","","","","","","","","NSC628246","","CC12CCN(C3C1(C(CCC3)CC4=C2C(=CC=C4)O)C)C","MSJWJAZPACSQKQ-IZZFFNQQSA-N","363363",NA,"PDBC44577","628246","Present"
-"NSC628247","","","","","","","","","","","","","","","","","","","","NSC628247","","CC12CCN(C3C1(C(CCC3)CC4=C2C=C(C=C4)O)C)C","WNQXOYACRBTJQJ-UQQIVXHISA-N","363364",NA,"PDBC44578","628247","Present"
-"NSC628250","","","","","","","","","","","","","","","","","","","","NSC628250","","CC1CCC2(C3(C1=CC(=O)C(C3)O)C)OCCO2","DWUNNTIVEWUSSB-UTVJUBTNSA-N","363368",NA,"PDBC44579","628250","Present"
-"NSC628254","","","","","","","","","","","","","","","","","","","","NSC628254","","CCOC(=O)C1=C2CCCC(C2(CC1)C)(C=C)O","ROQXCBMRMDDVQT-HUUCEWRRSA-N","6711463",NA,"PDBC44580","628254","Present"
-"NSC628258","","","","","","","","","","","","","","","","","","","","NSC628258","","CC12CC(=O)C=C1CCCC2(C#C)O","YMNCCOPMPMENQR-VXGBXAGGSA-N","6711464",NA,"PDBC44581","628258","Present"
-"NSC628259","","","","","","","","","","","","","","","","","","","","NSC628259","","CC12CCC(=O)C=C1CCCC2(C#C)O","OZFDSMFYURTKRO-STQMWFEESA-N","6711465",NA,"PDBC44582","628259","Present"
-"NSC628263","","","","","","","","","","","","","","","","","","","","NSC628263","","CC12CCC3C(C1CCC2=O)CC4C5=CC(=O)CCC35C(=O)O4","DTEPGDXMBNRPHO-PGKOTXMBSA-N","363381",NA,"PDBC44583","628263","Present"
-"NSC628264","","","","","","","","","","","","","","","","","","","","NSC628264","","CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C4CC45C3(CCC=C5)C)O)C","AMWKOQHWMJUWOA-NBJPPITASA-N","363382",NA,"PDBC44584","628264","Present"
-"NSC628266","","","","","","","","","","","","","","","","","","","","NSC628266","","CC12CCC(=O)C(=C1CCC2=O)O","FTGPWWMNIMWCRA-JTQLQIEISA-N","363384",NA,"PDBC44585","628266","Present"
-"NSC628267","","","","","","","","","","","","","","","","","","","","NSC628267","","CC12CCC(=O)C(=C1CCC2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","SAYQQKWFZREFGC-KRWDZBQOSA-N","363385",NA,"PDBC44586","628267","Present"
-"NSC628268","","","","","","","","","","","","","","","","","","","","NSC628268","","CC1=C2CCC3(C(CC=C3C2(CCC1=O)C)O)C","CECRYSXEWPEPGN-GPANFISMSA-N","363386",NA,"PDBC44587","628268","Present"
-"NSC628302","","","","","","","","","","","","","","","","","","","","NSC628302","","CCOC(=O)N1CCC2=CC(=C(C=C2C1=CC3=CC(=C(C=C3)OC)OC)OC)OC","HQORGKLZZSXVIA-WQRHYEAKSA-N","5387847",NA,"PDBC44588","628302","Present"
-"NSC628304","","","","","","","","","","","","","","","","","","","","NSC628304","","C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC34CC5CCC3CC(C5)C4","ACXLLVZRHDPMEY-QSVDNLTKSA-N","6711466",NA,"PDBC44589","628304","Present"
-"NSC628412","","","","","","","","","","","","","","","","","","","","NSC628412","","C1C(C(C(C(O1)(CNN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)O)O)O)O.C(=O)(C(=O)O)O","FNKRRRJUENGGAS-UHFFFAOYSA-N","363488",NA,"PDBC44590","628412","Present"
-"NSC628413","","","","","","","","","","","","","","","","","","","","NSC628413","","C1C(C(C(C(O1)(CNN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4Cl)O)O)O)O.C(=O)(C(=O)O)O","XYOIMXCMDPFZOL-UHFFFAOYSA-N","363490",NA,"PDBC44591","628413","Present"
-"NSC628414","","","","","","","","","","","","","","","","","","","","NSC628414","","C1C(C(C(C(O1)(CNN2C(=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl)O)O)O)O.C(=O)(C(=O)O)O","VSZAQWONRYGJSB-UHFFFAOYSA-N","363492",NA,"PDBC44592","628414","Present"
-"NSC628415","","","","","","","","","","","","","","","","","","","","NSC628415","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4(C(C(C(CO4)O)O)O)O.C(=O)(C(=O)O)O","BDCNBHYLOMRVQT-UHFFFAOYSA-N","363494",NA,"PDBC44593","628415","Present"
-"NSC628416","","","","","","","","","","","","","","","","","","","","NSC628416","","C1C(C(C(C(O1)(CNN2C(=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4)O)O)O)O.C(=O)(C(=O)O)O","BOJKTEHHWFZTIS-UHFFFAOYSA-N","363496",NA,"PDBC44594","628416","Present"
-"NSC628417","","","","","","","","","","","","","","","","","","","","NSC628417","","C1C(C(C(C(O1)(CNN2C(=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4Cl)O)O)O)O.C(=O)(C(=O)O)O","PWSMEVDPLHFAMY-UHFFFAOYSA-N","363498",NA,"PDBC44595","628417","Present"
-"NSC628437","","","","","","","","","","","","","","","","","","","","NSC628437","","CC(=O)OC1C=CC23C4CCC5(CC4(CC5=O)C(C2C1(C(=O)O3)C)C(=O)O)CO","UUTJMLLFYZLDSW-FLVARPFASA-N","6711467",NA,"PDBC44596","628437","Present"
-"NSC628438","","","","","","","","","","","","","","","","","","","","NSC628438","","CCOC(=O)NC1C2CC(=O)C(C1OC)O2","IRWGJTXPSLHVCV-SRKTWWLUSA-N","363505",NA,"PDBC44597","628438","Present"
-"NSC628440","","","","","","","","","","","","","","","","","","","","NSC628440","","C1=CC=C(C=C1)CN2C(=O)C3=C4C5=CC=CC=C5NC4=C6C(=C3C2=O)C7=CC=CC=C7N6","BOWKECNQMUSQGN-UHFFFAOYSA-N","5387854",NA,"PDBC44598","628440","Present"
-"NSC628441","","","","","","","","","","","","","","","","","","","","NSC628441","","CCN(CC)CCCNC1=NC=CC2=C(C3=C(C=C21)C4=C(N3C)C=CN=C4)C.C(=CC(=O)O)C(=O)O","YOCJURSAXXSETH-BTJKTKAUSA-N","5387855",NA,"PDBC44599","628441","Present"
-"NSC628444","","","","","","","","","","","","","","","","","","","","NSC628444","","C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C(=CC3=CC=C(C=C3)F)NC2=O","XFRSTFFUQQIQMO-GDNBJRDFSA-N","5387856",NA,"PDBC44600","628444","Present"
-"NSC628528","","","","","","","","","","","","","","","","","","","","NSC628528","","C1=CC=C(C=C1)C2=CC(=C(C(=O)O)O)C3=CC=CC=C32","BBZJCILULATKFU-FOCLMDBBSA-N","5387858",NA,"PDBC44601","628528","Present"
-"NSC628630","","","","","","","","","","","","","","","","","","","","NSC628630","","CSC(=C(C1=CC=CC=C1)S)C2=CC=CC=C2","XMPSARMVOPXBCD-PFONDFGASA-N","5387862",NA,"PDBC44602","628630","Present"
-"NSC628659","","","","","","","","","","","","","","","","","","","","NSC628659","","CC1CCC23CCC4(C5(CCC6C(C(=O)CCC6(C5C=CC4(C2C1C)OC3=O)C)(C)C)C)C","SHDSXTLKCOGMKJ-OTAHORTLSA-N","363630",NA,"PDBC44603","628659","Present"
-"NSC628672","","","","","","","","","","","","","","","","","","","","NSC628672","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-]","DLROLUIVVKTFPW-PUEOPUMLSA-N","363643",NA,"PDBC44604","628672","Present"
-"NSC628674","","","","","","","","","","","","","","","","","","","","NSC628674","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=C6)OCCO7","UJDWLKBEKWSXBS-SCWZWCFPSA-N","363645",NA,"PDBC44605","628674","Present"
-"NSC628678","","","","","","","","","","","","","","","","","","","","NSC628678","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC(=CC=C6)O","YBIPRFWIJQFYKB-PUEOPUMLSA-N","363650",NA,"PDBC44606","628678","Present"
-"NSC628723","","","","","","","","","","","","","","","","","","","","NSC628723","","COC1=NC2=C(C(=O)N1)N=C(N2C3C(C(C(C(O3)CO)O)O)O)N","XEVQFEHJYUJYFP-UHFFFAOYSA-N","135498453",NA,"PDBC44607","628723","Present"
-"NSC628726","","","","","","","","","","","","","","","","","","","","NSC628726","","CSC1=NC2=C(C(=O)N1)N=C(N2C3C(C(C(C(O3)CO)O)O)O)N","ZQRNZCAZNTVNPW-UHFFFAOYSA-N","135500419",NA,"PDBC44608","628726","Present"
-"NSC628805","","","","","","","","","","","","","","","","","","","","NSC628805","","CCN(CC)CC.C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C4=CC=CC=C4C5=CC=CC=C53)S(=O)(=O)O)Cl","CJPQMLPESGHNSE-UHFFFAOYSA-N","363688",NA,"PDBC44609","628805","Present"
-"NSC628864","","","","","","","","","","","","","","","","","","","","NSC628864","","C1CC(=O)OC(C1S(=O)(=O)C2=CC=CC=C2)C=CC3=CC=CC=C3","NNEURMOBBDOWNZ-AAIOHFERSA-N","50990860",NA,"PDBC44610","628864","Present"
-"NSC628906","","","","","","","","","","","","","","","","","","","","NSC628906","","CCN(CC)CCNC1=[N+](C2=CC=CC=C2[N+](=N1)[O-])[O-].C(=O)(C(F)(F)F)O","VXFSBORNSIGNLO-UHFFFAOYSA-N","135510092",NA,"PDBC44611","628906","Present"
-"NSC628911","","","","","","","","","","","","","","","","","","","","NSC628911","","CCN(CC)CCNC1=[N+](C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-])[O-].C(=O)(C(F)(F)F)O","CPLOGJDIXDDAJV-UHFFFAOYSA-N","135510093",NA,"PDBC44612","628911","Present"
-"NSC628915","","","","","","","","","","","","","","","","","","","","NSC628915","","CCN(CC)CCNC1=[N+](C2=CC=CC=C2[N+](=N1)[O-])[O-]","SABMRSZLBCPTEB-UHFFFAOYSA-N","135503433",NA,"PDBC44613","628915","Present"
-"NSC628918","","","","","","","","","","","","","","","","","","","","NSC628918","","CCN(CC)CCNC1=[N+](C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-])[O-].Cl","XESIUBQYNOEKJA-UHFFFAOYSA-N","135488943",NA,"PDBC44614","628918","Present"
-"NSC628929","","","","","","","","","","","","","","","","","","","","NSC628929","","C1CC(=O)OC(C1S(=O)(=O)C2=CC=CC=C2)C=CC3=CC=CC=C3","NNEURMOBBDOWNZ-LLSOJIOMSA-N","50990859",NA,"PDBC44615","628929","Present"
-"NSC628973","","","","","","","","","","","","","","","","","","","","NSC628973","","CC(=O)C1=CC=C2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C","QLMXZKMIBONXSF-SRTDZIGRSA-N","363766",NA,"PDBC44616","628973","Present"
-"NSC628974","","","","","","","","","","","","","","","","","","","","NSC628974","","CC1C2C(CC3(C(=O)CCC(=C3C2OC1=O)C)C)O","BRHPJALTKULBGH-MCCMGZSASA-N","363767",NA,"PDBC44617","628974","Present"
-"NSC628980","","","","","","","","","","","","","","","","","","","","NSC628980","","CC12CCC(C1CC=C(C(=C(C2)O)C(=O)OC)C(=O)OC)C(=O)OC","DUFOOXBFUWJHHD-HIQHKGCKSA-N","54679370",NA,"PDBC44618","628980","Present"
-"NSC628996","","","","","","","","","","","","","","","","","","","","NSC628996","","CC1CC(=O)C2CCCC1C2=O","HQDGBVACMJUNOJ-JECWYVHBSA-N","363783",NA,"PDBC44619","628996","Present"
-"NSC629003","","","","","","","","","","","","","","","","","","","","NSC629003","","CC12CC=C(C(=O)C1(CCC2=O)CC=C)O","UAVGNMLSIHMHLQ-PZORYLMUSA-N","363789",NA,"PDBC44620","629003","Present"
-"NSC629005","","","","","","","","","","","","","","","","","","","","NSC629005","","CC12CCC(=O)C(=C1CCC2O)OCC=C","ZRKHWASNCRZRPX-AAEUAGOBSA-N","363791",NA,"PDBC44621","629005","Present"
-"NSC629009","","","","","","","","","","","","","","","","","","","","NSC629009","","C1=CC2C(C(C1O2)CO)CO","MOBDXLOZNRUIIF-MBNAKOSBSA-N","363795",NA,"PDBC44622","629009","Present"
-"NSC629031","","","","","","","","","","","","","","","","","","","","NSC629031","","CC1=NC(=CC2=C(C(=C(C=C2)OC(=O)C)OC)[N+](=O)[O-])C(=O)O1","OXXRXOCLIYERKC-POHAHGRESA-N","5387872",NA,"PDBC44623","629031","Present"
-"NSC629157","","","","","","","","","","","","","","","","","","","","NSC629157","","CCCC(C(C1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=CC=C3)OC)O)O)O","RGMLURGTVBEYSI-UWBLVGDVSA-N","363867",NA,"PDBC44624","629157","Present"
-"NSC629375","","","","","","","","","","","","","","","","","","","","NSC629375","","C1CN2CCN3[P+]24N1CCN4CC3","WGGFVARKIMKOAC-UHFFFAOYSA-N","498424",NA,"PDBC44625","629375","Present"
-"NSC629378","","","","","","","","","","","","","","","","","","","","NSC629378","","CC1C(=O)OC(N1[N+](=O)[O-])(C)OC(=O)C","SVZACBVZCVTTJR-CLZZGJSISA-N","6711505",NA,"PDBC44626","629378","Present"
-"NSC629379","","","","","","","","","","","","","","","","","","","","NSC629379","","CC(C)CC1C(=O)OC(N1[N+](=O)[O-])(C)OC(=O)C","YRLRGYRAMRQBDB-PSASIEDQSA-N","6711506",NA,"PDBC44627","629379","Present"
-"NSC629412","","","","","","","","","","","","","","","","","","","","NSC629412","","CCOC(=O)C(C1=C(OC(=O)C=C1OC)C=[N+](C2=CC=C(C=C2)N(C)C)[O-])SC3=CC=CC=C3","WNFOARRUVJYNQY-JVWAILMASA-N","6393655",NA,"PDBC44628","629412","Present"
-"NSC629416","","","","","","","","","","","","","","","","","","","","NSC629416","","COC(=O)C1CC2=C(C(N1)C3=CC=CC=C3)NC4=CC=CC=C24","PKHHJECXXHOADW-IRXDYDNUSA-N","363928",NA,"PDBC44629","629416","Present"
-"NSC629419","","","","","","","","","","","","","","","","","","","","NSC629419","","CCC1C2=C(CC(N1)C(=O)OC)C3=CC=CC=C3N2","ADIHMVQHJFGVMN-AMGKYWFPSA-N","363931",NA,"PDBC44630","629419","Present"
-"NSC629479","","","","","","","","","","","","","","","","","","","","NSC629479","","CC1=NNC(=NCCN(C)C)CC1=CC2=CC=CC=C2Cl","PWKXWVGATQBBOH-UVTDQMKNSA-N","135510095",NA,"PDBC44631","629479","Present"
-"NSC629489","","","","","","","","","","","","","","","","","","","","NSC629489","","CCC12CCC(N3C1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2)C#N","WBBLPNXLHOEVPV-JYMLRBTQSA-N","6711509",NA,"PDBC44632","629489","Present"
-"NSC629565","","","","","","","","","","","","","","","","","","","","NSC629565","","CN(C)C=CC(=CC=[N+](C)C)C=CN(C)C.[O-]Cl(=O)(=O)=O","SMGIFFXIOBXMOT-UHFFFAOYSA-M","24202117",NA,"PDBC44633","629565","Present"
-"NSC629567","","","","","","","","","","","","","","","","","","","","NSC629567","","CC1=NN(C(=O)CC1=CC2=CC=CC=C2)CCNC(=O)NC","ZBIWPQRARHHMME-UVTDQMKNSA-N","20835624",NA,"PDBC44634","629567","Present"
-"NSC629590","","","","","","","","","","","","","","","","","","","","NSC629590","","CC(C)(C1CC2CC34C1(C=C2)C(CC5=C3C(=C(C=C5)OC)OC6=CC=CC=C6)N(CC4)C)O","LTMOELTXRZRCBF-PUAUNUHMSA-N","363970",NA,"PDBC44635","629590","Present"
-"NSC629604","","","","","","","","","","","","","","","","","","","","NSC629604","","CCC(C)N(CCN)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl.Cl","MBUHQMIQNIYWOI-RSAXXLAASA-N","363985",NA,"PDBC44636","629604","Present"
-"NSC629605","","","","","","","","","","","","","","","","","","","","NSC629605","","CC1=CCCC2(C(CCC2C(C)C=CC(C)C)C3=C(C=C(CC(CC1)O)C=C3)C(=O)O)C","BYSDVQRGPLYEPF-JDLUIFQNSA-N","54608116",NA,"PDBC44637","629605","Present"
-"NSC629606","","","","","","","","","","","","","","","","","","","","NSC629606","","CC1=CCCC2(C(CCC2C(C)C=CC(C)C)C3=C(C=C(CC(CC1)OC(=O)C)C=C3)C(=O)O)C","ICJKVLYHBMCCNR-KIPXGGMVSA-N","11969860",NA,"PDBC44638","629606","Present"
-"NSC629622","","","","","","","","","","","","","","","","","","","","NSC629622","","CCN1C2=CC=CC=C2C3=[N+](C4=CC=CC=C4C5=C3C1=CC(=C5)C)CC.[I-]","OMKXWSOWHPKTJX-UHFFFAOYSA-M","364000",NA,"PDBC44639","629622","Present"
-"NSC629628","","","","","","","","","","","","","","","","","","","","NSC629628","","CC1=CC=C(C=C1)S(=O)(=O)ON=C2CCCC2=CC3=CC=CC=C3","VHBRMOOAPJMGDU-QQHRXTFHSA-N","5928551",NA,"PDBC44640","629628","Present"
-"NSC629629","","","","","","","","","","","","","","","","","","","","NSC629629","","COC1=CC=C(C=C1)C(=O)ON=C2CCCCC2=CC3=CC=CC=C3","JXSWTOIIWVRIMY-GIUFQOGJSA-N","6383072",NA,"PDBC44641","629629","Present"
-"NSC629636","","","","","","","","","","","","","","","","","","","","NSC629636","","C1CCC(=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=CC3=CC=CC=C3)C1","WHVXLPGNFUALFI-QUYMBBJYSA-N","5935962",NA,"PDBC44642","629636","Present"
-"NSC629637","","","","","","","","","","","","","","","","","","","","NSC629637","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(=NC(=CC2=CC=CC=C2)C1)[N+]3=CC=CC=C3","QPHPWGJFNWPVQT-INTLEYBYSA-M","5387904",NA,"PDBC44643","629637","Present"
-"NSC629638","","","","","","","","","","","","","","","","","","","","NSC629638","","CN(C)CC1CCCCC1=NOC(=O)C2=CC=CC=C2.Cl","PXWVAAPELMDJTM-INTLEYBYSA-N","9569962",NA,"PDBC44644","629638","Present"
-"NSC629643","","","","","","","","","","","","","","","","","","","","NSC629643","","CN(C)CC1CCCCC1=NOC(=O)C2=CC=C(C=C2)Cl.Cl","FZTDHJAJDTZQBH-MWIGPOFTSA-N","9569963",NA,"PDBC44645","629643","Present"
-"NSC629651","","","","","","","","","","","","","","","","","","","","NSC629651","","CN(C)CC1CCCCC1=NOC(=O)C2=CC(=C(C=C2)Cl)Cl.Cl","FTPVGQHSQQQFIX-HVENRQQKSA-N","9569965",NA,"PDBC44646","629651","Present"
-"NSC629653","","","","","","","","","","","","","","","","","","","","NSC629653","","CC1=CC=C(C=C1)C(=O)ON=C2CCCCC2CN(C)C.Cl","WRRDIYWMDIFKBG-FTUZMNKQSA-N","9569966",NA,"PDBC44647","629653","Present"
-"NSC629654","","","","","","","","","","","","","","","","","","","","NSC629654","","CN(C)CC1CCCCC1=NOC(=O)C2=CC=C(C=C2)OC.Cl","JOOVXSRBWHKQDL-FTUZMNKQSA-N","9569967",NA,"PDBC44648","629654","Present"
-"NSC629712","","","","","","","","","","","","","","","","","","","","NSC629712","","C1=CC=C(C=C1)C2C(N=C3C(=C4C=CC=CC4=C(C3=N2)O)O)C5=CC=CC=C5","GOKGZGXFVOBTDZ-PMACEKPBSA-N","135503435",NA,"PDBC44649","629712","Present"
-"NSC629722","","","","","","","","","","","","","","","","","","","","NSC629722","","C1CN2C(=N1)C3=CC=CC4=C3C(=CC=C4)C2=O","STDWUOBRBVGWCK-UHFFFAOYSA-N","364082",NA,"PDBC44650","629722","Present"
-"NSC629724","","","","","","","","","","","","","","","","","","","","NSC629724","","","","",NA,"PDBC44651","629724","Present"
-"NSC629725","","","","","","","","","","","","","","","","","","","","NSC629725","","C1CN=C2C3=CC=CC4=C3C(=CC=C4)C(=O)N2C1","BYZPJKNTZZEQMX-UHFFFAOYSA-N","364085",NA,"PDBC44652","629725","Present"
-"NSC629727","","","","","","","","","","","","","","","","","","","","NSC629727","","","","",NA,"PDBC44653","629727","Present"
-"NSC629728","","","","","","","","","","","","","","","","","","","","NSC629728","","","","",NA,"PDBC44654","629728","Present"
-"NSC629814","","","","","","","","","","","","","","","","","","","","NSC629814","","C1=CC=C(C=C1)CNC2=CC3=C(C=C2)NC4=C3C=C(N=C4)CO.Cl","NAKVSEBDMHQYMA-UHFFFAOYSA-N","5387928",NA,"PDBC44655","629814","Present"
-"NSC629864","","","","","","","","","","","","","","","","","","","","NSC629864","","CCOP(=O)(C1C2CCCCC2OC1=O)OCC","LEBYUNYOSXULBK-JKIOLJMWSA-N","364164",NA,"PDBC44656","629864","Present"
-"NSC629870","","","","","","","","","","","","","","","","","","","","NSC629870","","CN(C1=CC=C(C=C1)[N+](=O)[O-])N=CC2=CC=NC3=CC=CC=C23","LFMAVESKFXYGNB-UNOMPAQXSA-N","5936679",NA,"PDBC44657","629870","Present"
-"NSC629910","","","","","","","","","","","","","","","","","","","","NSC629910","","CC(CN(C)C)C(=NNC1=CC=CC=C1)C2=CC=CC=C2.Br","OZUUFLMCMWSKRM-KPJFUTMLSA-N","9569968",NA,"PDBC44658","629910","Present"
-"NSC629911","","","","","","","","","","","","","","","","","","","","NSC629911","","CC(C)(CN(C)C)C(=NNC1=CC=CC=C1)C2=CC=CC=C2.Cl","WJKNETGNQDHWRP-WIPIHYDQSA-N","6516295",NA,"PDBC44659","629911","Present"
-"NSC629912","","","","","","","","","","","","","","","","","","","","NSC629912","","CN(C)CCC(=NNC1=CC=CC=C1)C=CC2=CC=CC=C2.Cl","BYXFXENMICQWMZ-UWSSUAKGSA-N","9569969",NA,"PDBC44660","629912","Present"
-"NSC629914","","","","","","","","","","","","","","","","","","","","NSC629914","","CN(C)CCC(=NNC1=CC=C(C=C1)Cl)C2=CC=CC=C2.Cl","HNSLKOIXRBHTFQ-SJEOTZHBSA-N","9569970",NA,"PDBC44661","629914","Present"
-"NSC629915","","","","","","","","","","","","","","","","","","","","NSC629915","","CN(C)CCC(=NNC1=CC(=C(C=C1)Cl)Cl)C2=CC=CC=C2.Cl","LJEUPXOXRATXCD-DIRYEVLESA-N","9569971",NA,"PDBC44662","629915","Present"
-"NSC629916","","","","","","","","","","","","","","","","","","","","NSC629916","","CN(C)CCC(=NNC1=C(C=C(C=C1)Cl)Cl)C2=CC=CC=C2.Cl","GEDJSOUPJWMTJS-QTNJPTFUSA-N","9569972",NA,"PDBC44663","629916","Present"
-"NSC629917","","","","","","","","","","","","","","","","","","","","NSC629917","","CN(C)CCC(=NNC1=C(C=CC=C1Cl)Cl)C2=CC=CC=C2.Cl","MPXCVRSCQILCNP-QTNJPTFUSA-N","9569973",NA,"PDBC44664","629917","Present"
-"NSC629918","","","","","","","","","","","","","","","","","","","","NSC629918","","CN(C)CCC(=NNC1=CC=C(C=C1)OC)C2=CC=CC=C2.Cl","FRJNQCSFVQPOEO-KPJFUTMLSA-N","9569974",NA,"PDBC44665","629918","Present"
-"NSC629919","","","","","","","","","","","","","","","","","","","","NSC629919","","CN(C)CCC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2.Cl","BHXDTZBFLBVQAT-ZJSKVYKZSA-N","9569975",NA,"PDBC44666","629919","Present"
-"NSC629920","","","","","","","","","","","","","","","","","","","","NSC629920","","CN(C)CCC(=NNC1=C(C(=C(C(=C1F)F)F)F)F)C2=CC=CC=C2.Cl","CYOLWIVOFDRLBB-YDLOHEMZSA-N","9569976",NA,"PDBC44667","629920","Present"
-"NSC629921","","","","","","","","","","","","","","","","","","","","NSC629921","","CN(C)CCC(=NNC1=CC(=C(C=C1)Cl)Cl)C=CC2=CC=CC=C2.Cl","URYVMWKMFNNGFM-HNEDGAETSA-N","9569977",NA,"PDBC44668","629921","Present"
-"NSC629922","","","","","","","","","","","","","","","","","","","","NSC629922","","CN(C)CCC(=NNC1=C(C=C(C=C1)Cl)Cl)C=CC2=CC=CC=C2.Cl","VYGJIMYDYRRVLB-FPJYWBQGSA-N","9569978",NA,"PDBC44669","629922","Present"
-"NSC629923","","","","","","","","","","","","","","","","","","","","NSC629923","","CN(C)CCC(=NNC1=C(C(=C(C(=C1F)F)F)F)F)C=CC2=CC=CC=C2.Cl","BUKDVQYVDZVGSS-VSQCGFONSA-N","9569979",NA,"PDBC44670","629923","Present"
-"NSC629924","","","","","","","","","","","","","","","","","","","","NSC629924","","CC(C)(CN(C)C)C(=NNC1=CC=CC=C1)C=CC2=CC=CC=C2.Cl","AYPITQDGNPBTDA-FAWVHZDSSA-N","6516297",NA,"PDBC44671","629924","Present"
-"NSC630052","","","","","","","","","","","","","","","","","","","","NSC630052","","","","",NA,"PDBC44672","630052","Present"
-"NSC630146","","","","","","","","","","","","","","","","","","","","NSC630146","","CN1CC(C(=O)C(=O)C(C1)C(=O)C2C(=O)C3=CC=CC=C3C2=O)C(=O)C4C(=O)C5=CC=CC=C5C4=O.Cl","QCYYGEZZZLPJAU-UHFFFAOYSA-N","364241",NA,"PDBC44673","630146","Present"
-"NSC630148","","","","","","","","","","","","","","","","","","","","NSC630148","","CC(C)C(=O)NC(C)C(=O)N(CC1=CC2=CC=CC=C2C=C1)N=O","WOXRKTZDFXLUEU-ZDUSSCGKSA-N","5387963",NA,"PDBC44674","630148","Present"
-"NSC630149","","","","","","","","","","","","","","","","","","","","NSC630149","","CC(C(=O)NC(=O)N(CC1=CC=CC=C1)N=O)C(=O)O","XKRLXAUGVMNRSC-QMMMGPOBSA-N","364244",NA,"PDBC44675","630149","Present"
-"NSC630249","","","","","","","","","","","","","","","","","","","","NSC630249","","CC1C(C(C(C(O1)OC2C(C(OC2OC3CCC4(C5CCC6C7C(CCC7(CCC6(C5(CCC4C3(C)CO)C)C)C(=O)O)C(=C)C)C)CO)O)O)O)O","IPSGEHUHDIJOIT-IALPGCDTSA-N","6711518",NA,"PDBC44676","630249","Present"
-"NSC630256","","","","","","","","","","","","","","","","","","","","NSC630256","","C1C2C=CC1C(C2C3=CC=CC=C3Cl)[N+](=O)[O-]","GNXJLTPKYBBZTK-JVWKWXTGSA-N","364257",NA,"PDBC44677","630256","Present"
-"NSC630257","","","","","","","","","","","","","","","","","","","","NSC630257","","C1C2C=CC1C(C2C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]","DAIZNWRWPDYRFJ-QZAPFHQKSA-N","364258",NA,"PDBC44678","630257","Present"
-"NSC630259","","","","","","","","","","","","","","","","","","","","NSC630259","","C1C2C=CC1C(C2C3=CC=CO3)[N+](=O)[O-]","GJUPVGNLPWPQKP-JRASRSEESA-N","364260",NA,"PDBC44679","630259","Present"
-"NSC630262","","","","","","","","","","","","","","","","","","","","NSC630262","","COC1C2CC(C1[N+](=O)[O-])C=C2","PIEQFJYGBFQBBX-DJAIAVIWSA-N","364263",NA,"PDBC44680","630262","Present"
-"NSC630299","","","","","","","","","","","","","","","","","","","","NSC630299","","CC(C)CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)CC(=O)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]","VKNRUNFMKDDCJL-ZTKZIYFRSA-N","5465001",NA,"PDBC44681","630299","Present"
-"NSC630301","","","","","","","","","","","","","","","","","","","","NSC630301","","C1=CC(=C(C=C1Cl)Cl)NC(=O)C2C(=NNC(=O)C(=O)N)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl","GCBCSGOJKKSVNH-WGARJPEWSA-N","5479891",NA,"PDBC44682","630301","Present"
-"NSC630321","","","","","","","","","","","","","","","","","","","","NSC630321","","CC(=NNC(=O)NN)CC(=O)CCC(=O)NC1=CC=CC(=C1)C(F)(F)F","DJDRBVCVWHZNKN-LSFURLLWSA-N","5465002",NA,"PDBC44683","630321","Present"
-"NSC630322","","","","","","","","","","","","","","","","","","","","NSC630322","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C(=O)NC5=CC=C(C=C5)Cl","ZWPQJGTYAVQFLV-FEZSWGLMSA-N","5465003",NA,"PDBC44684","630322","Present"
-"NSC630324","","","","","","","","","","","","","","","","","","","","NSC630324","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C(=O)NC5=CC(=C(C=C5)Cl)Cl","ZBIWOJPWBGWDGV-IWBSIUBASA-N","5465004",NA,"PDBC44685","630324","Present"
-"NSC630334","","","","","","","","","","","","","","","","","","","","NSC630334","","CC1=CC2=C(C=C1OC)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)NC3=C(C(=CC=C3)Cl)C.[Cl-]","HDFUDYFZZZIRFZ-UHFFFAOYSA-N","5479819",NA,"PDBC44686","630334","Present"
-"NSC630335","","","","","","","","","","","","","","","","","","","","NSC630335","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)NC3=CC=C(C=C3)Cl.[Cl-]","YVJOVFLGVFYXLB-UHFFFAOYSA-N","54608553",NA,"PDBC44687","630335","Present"
-"NSC630356","","","","","","","","","","","","","","","","","","","","NSC630356","","CCC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-].[Cl-]","XMQTVAVOBZBRNI-YGCQTIHHSA-N","54608816",NA,"PDBC44688","630356","Present"
-"NSC630360","","","","","","","","","","","","","","","","","","","","NSC630360","","COC1=CC=C(C=C1)NC(=O)CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C3=CC=CO3","VBTCEGMIRORDEZ-XYGWBWBKSA-N","5465006",NA,"PDBC44689","630360","Present"
-"NSC630361","","","","","","","","","","","","","","","","","","","","NSC630361","","COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)N)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])O","OXWHQTRBCYRVOJ-QRVIBDJDSA-N","5465007",NA,"PDBC44690","630361","Present"
-"NSC630363","","","","","","","","","","","","","","","","","","","","NSC630363","","CC1=C(C=C(C=C1)NC(=O)CCC(=NNC2=NN=C(N2N)C)CC(=O)C(C)(C)C)C","OHIJINJKXFEDAD-UQQQWYQISA-N","5465008",NA,"PDBC44691","630363","Present"
-"NSC630367","","","","","","","","","","","","","","","","","","","","NSC630367","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=NNC(=O)C[N+]3=CC=CC=C3)CC(=O)C4=CC=CC=C4.[Cl-]","MTFJCMJUKWCACL-NKSCCWAASA-N","5479924",NA,"PDBC44692","630367","Present"
-"NSC630368","","","","","","","","","","","","","","","","","","","","NSC630368","","CCCC(=NNC(=O)C(=O)N)C(CC)C(=O)CCC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2","TXLBRGLHDVCRNH-FAJYDZGRSA-N","5479926",NA,"PDBC44693","630368","Present"
-"NSC630427","","","","","","","","","","","","","","","","","","","","NSC630427","","C1CC2CC2C3(C1)OC(C(O3)C4=CC=CC=C4)C5=CC=CC=C5","UHRYNRULIGUQPN-XEMPOMFESA-N","364368",NA,"PDBC44694","630427","Present"
-"NSC630443","","","","","","","","","","","","","","","","","","","","NSC630443","","COC(=O)C1C(OC2(O1)CCCC3C2C3)C(=O)OC","METJBMPNTMUSBT-GQGXYNSTSA-N","364384",NA,"PDBC44695","630443","Present"
-"NSC630451","","","","","","","","","","","","","","","","","","","","NSC630451","","COC1=C(C=C2C(NCCC2=C1)C(C3=CC=CC=C3)O)OC","VJCADSFAKULTBF-ZWKOTPCHSA-N","364391",NA,"PDBC44696","630451","Present"
-"NSC630452","","","","","","","","","","","","","","","","","","","","NSC630452","","COC1=C(C=C2C3C(OCN3CCC2=C1)C4=CC=CC=C4)OC","RUOVSPASTBGUAB-MUMRKEEXSA-N","364392",NA,"PDBC44697","630452","Present"
-"NSC630453","","","","","","","","","","","","","","","","","","","","NSC630453","","COC1=C(C=C2C(NCCC2=C1)C(C3=CC=CC=C3)O)OC","VJCADSFAKULTBF-ZENAZSQFSA-N","364393",NA,"PDBC44698","630453","Present"
-"NSC630507","","","","","","","","","","","","","","","","","","","","NSC630507","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C(=O)NCCN(C)C)C)C","PCGYYIHRQWNZFL-HRXLJPBISA-N","6711523",NA,"PDBC44699","630507","Present"
-"NSC630508","","","","","","","","","","","","","","","","","","","","NSC630508","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)NCC[N+](C)(C)CCCS(=O)(=O)[O-])C)C","ZDWOBDFRKWTVOJ-HSHKFECOSA-N","11969867",NA,"PDBC44700","630508","Present"
-"NSC630509","","","","","","","","","","","","","","","","","","","","NSC630509","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C(=O)NCC[N+](C)(C)CCCS(=O)(=O)[O-])C)C","JCHKLFCNHHFXFB-YUVFZCOFSA-N","24202123",NA,"PDBC44701","630509","Present"
-"NSC630597","","","","","","","","","","","","","","","","","","","","NSC630597","","CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)C(C5(CC3)C)C6=COC=C6)C)C)(C)C","NEYCGDYQBQONFC-LUKGJYRVSA-N","364400",NA,"PDBC44702","630597","Present"
-"NSC630600","","","","","","","","","","","","","","","","","","","","NSC630600","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C(Cl)(Cl)Cl","WGLNDYWITCIUGN-JYFOCSDGSA-N","5387999",NA,"PDBC44703","630600","Present"
-"NSC630602","","","","","","","","","","","","","","","","","","","","NSC630602","","CCOC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","DJIOYGAIBLADNB-IWGRKNQJSA-N","5388001",NA,"PDBC44704","630602","Present"
-"NSC630603","","","","","","","","","","","","","","","","","","","","NSC630603","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)OCC(Cl)(Cl)Cl","YWMVFXODXHGDTH-GDAWTGGTSA-N","5388002",NA,"PDBC44705","630603","Present"
-"NSC630604","","","","","","","","","","","","","","","","","","","","NSC630604","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)OC4=CC=CC=C4","XLDMFJRQWIVEPX-LKNRODPVSA-N","5388003",NA,"PDBC44706","630604","Present"
-"NSC630605","","","","","","","","","","","","","","","","","","","","NSC630605","","COC1=CC=C(C=C1)OC(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2","RTUXBVLRCHGASV-LKNRODPVSA-N","5388004",NA,"PDBC44707","630605","Present"
-"NSC630606","","","","","","","","","","","","","","","","","","","","NSC630606","","CC1=CC=C(C=C1)OC(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2","MLBBGBDJVSZUBN-WPHIWBHXSA-N","5388005",NA,"PDBC44708","630606","Present"
-"NSC630607","","","","","","","","","","","","","","","","","","","","NSC630607","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)OC4=CC=C(C=C4)Cl","FNXCWBHQNWTCOR-YHARCJFQSA-N","5388006",NA,"PDBC44709","630607","Present"
-"NSC630608","","","","","","","","","","","","","","","","","","","","NSC630608","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]","HSHAHNNUYWQYPZ-YHARCJFQSA-N","5388007",NA,"PDBC44710","630608","Present"
-"NSC630609","","","","","","","","","","","","","","","","","","","","NSC630609","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)OCC4=CC=CC=C4","CSPUMCDDBFCPRT-MUPYBJATSA-N","5388008",NA,"PDBC44711","630609","Present"
-"NSC630670","","","","","","","","","","","","","","","","","","","","NSC630670","","CC[S+](C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[S+](C)CC)C8=CC=C(C=C8)[S+](C)CC)C=C4)C9=CC=C(C=C9)[S+](C)CC)N3.[O-]Cl(=O)(=O)=O","CRRSMEFUJAEWEI-UHFFFAOYSA-M","135439983",NA,"PDBC44712","630670","Present"
-"NSC630673","","","","","","","","","","","","","","","","","","","","NSC630673","","CC(C)C1CC2(C=CC(=O)C3C2(C1C3)OC)C(=O)OC","ICECGOWDKVFHTF-RWHLMYBWSA-N","364419",NA,"PDBC44713","630673","Present"
-"NSC630674","","","","","","","","","","","","","","","","","","","","NSC630674","","CC(C)C1CC2(C3C1CC3C(=O)C=C2OC)C(=O)OC","VRWBCJISCDXOSA-GFDLVESYSA-N","364420",NA,"PDBC44714","630674","Present"
-"NSC630733","","","","","","","","","","","","","","","","","","","","NSC630733","","","","",NA,"PDBC44715","630733","Present"
-"NSC630765","","","","","","","","","","","","","","","","","","","","NSC630765","","","","",NA,"PDBC44716","630765","Present"
-"NSC630812","","","","","","","","","","","","","","","","","","","","NSC630812","","CC1=C(C2=C(N=C(N(C2=O)C)OC)N(C1=O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O","SBTADRDIBZMSBO-UHFFFAOYSA-N","54676248",NA,"PDBC44717","630812","Present"
-"NSC630884","","","","","","","","","","","","","","","","","","","","NSC630884","","CC1=NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O1","ODNSPFZFMYOBLW-POHAHGRESA-N","5388015",NA,"PDBC44718","630884","Present"
-"NSC630959","","","","","","","","","","","","","","","","","","","","NSC630959","","CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NC(=CC=C1)C=NN=C(N)NO","WDXNREAXBNPFIT-OAZHBLANSA-N","135435104",NA,"PDBC44719","630959","Present"
-"NSC630960","","","","","","","","","","","","","","","","","","","","NSC630960","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C1F)C(=C(N2)O)C=NN=C(N)N=O","LBNVTCYYAXBJAX-UHFFFAOYSA-N","135503438",NA,"PDBC44720","630960","Present"
-"NSC630961","","","","","","","","","","","","","","","","","","","","NSC630961","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CSC(=C1)C=NN=C(N)NO","FTQVELQTZFAWIV-OVLVCPKESA-N","9570002",NA,"PDBC44721","630961","Present"
-"NSC630962","","","","","","","","","","","","","","","","","","","","NSC630962","","CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)OC1=CC=CC(=C1)C=NN=C(N)NO","QUZYRBDJRZOVLT-ICSBZGNSSA-N","9570004",NA,"PDBC44722","630962","Present"
-"NSC630963","","","","","","","","","","","","","","","","","","","","NSC630963","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC(=C1)C#N)C=NN=C(N)NO","FANYPQVAMPLLMR-WXIWBVQFSA-N","9570006",NA,"PDBC44723","630963","Present"
-"NSC630965","","","","","","","","","","","","","","","","","","","","NSC630965","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C=NN=C(N)NO)C(F)(F)F","TYMOFVJGEWIRHQ-OCSIRBNJSA-N","9570010",NA,"PDBC44724","630965","Present"
-"NSC630971","","","","","","","","","","","","","","","","","","","","NSC630971","","C1C(C(OC1N2C=C3C=COC3=NC2=O)CO)O","NPBLHAAOWBLIFR-UHFFFAOYSA-N","364551",NA,"PDBC44725","630971","Present"
-"NSC631075","","","","","","","","","","","","","","","","","","","","NSC631075","","CN(C)C1=CC=C(C=C1)C=CC=CC2=CC(=CC=CC=C3C=CC(=[N+](C)C)C=C3)SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O","NKOHJHPRBIHTCB-UHFFFAOYSA-M","54611312",NA,"PDBC44726","631075","Present"
-"NSC631128","","","","","","","","","","","","","","","","","","","","NSC631128","","C1CC2CC(=O)C(C2C1)CC=O","CXUWTFVRSNMVAF-XHNCKOQMSA-N","6711561",NA,"PDBC44727","631128","Present"
-"NSC631229","","","","","","","","","","","","","","","","","","","","NSC631229","","COC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=CSC=C2","YJZSWEJOLLBGCL-LCYFTJDESA-N","2766402",NA,"PDBC44728","631229","Present"
-"NSC631251","","","","","","","","","","","","","","","","","","","","NSC631251","","CC1(OC2C3CC(C(C2O1)O3)(CS(=NC)(=O)C4=CC=CC=C4)O)C","MBJRLTHWFYSDTN-KGMPURLDSA-N","6711562",NA,"PDBC44729","631251","Present"
-"NSC631253","","","","","","","","","","","","","","","","","","","","NSC631253","","CC(=O)OC1CSCC(C1[N+](=O)[O-])OC(=O)C","MMCWSWXGKHYGGE-JVHMLUBASA-N","364662",NA,"PDBC44730","631253","Present"
-"NSC631254","","","","","","","","","","","","","","","","","","","","NSC631254","","CC(C)(C)C(=O)N1C(CC2=CC=CC=C2C1CC3=CC=CC=C3)C(=O)O","CMKGUUIBQJOJPS-OYKVQYDMSA-N","364663",NA,"PDBC44731","631254","Present"
-"NSC631297","","","","","","","","","","","","","","","","","","","","NSC631297","","C1CC2CC(=O)CC(N2C1)C3=CC=CC=C3","DGWLWWJWBGJWPY-TZMCWYRMSA-N","6711563",NA,"PDBC44732","631297","Present"
-"NSC631300","","","","","","","","","","","","","","","","","","","","NSC631300","","COC1=C(C=C2C(=C1)C(=NC(=N2)NCCCCCNC(=O)C3=CC=CO3)N)OC.Cl","YPQQXDKWFCOLID-UHFFFAOYSA-N","364670",NA,"PDBC44733","631300","Present"
-"NSC631308","","","","","","","","","","","","","","","","","","","","NSC631308","","CC1=C(C2=CC=CC=C2N1C)C(CC3=CC=CC=C3N(C)C(=O)C=CC(=O)O)C4=CNC5=CC=CC=C54","SFGICHGJLNBELA-MSUUIHNZSA-N","5388052",NA,"PDBC44734","631308","Present"
-"NSC631309","","","","","","","","","","","","","","","","","","","","NSC631309","","CC1=C(C2=CC=CC=C2N1C)C3CC4=CC=CC=C4N3.Cl","XBTFEEBDSZUPDR-UHFFFAOYSA-N","364676",NA,"PDBC44735","631309","Present"
-"NSC631311","","","","","","","","","","","","","","","","","","","","NSC631311","","CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)C=CC(=O)O","BLCOALNKHFNYCK-KHPPLWFESA-N","5388054",NA,"PDBC44736","631311","Present"
-"NSC631312","","","","","","","","","","","","","","","","","","","","NSC631312","","CC1=C(C2=CC=CC=C2N1C)C3CC4=CC=CC=C4N3C(=O)C=CC(=O)O","KORJBGWASHRBCG-QXMHVHEDSA-N","5388055",NA,"PDBC44737","631312","Present"
-"NSC631316","","","","","","","","","","","","","","","","","","","","NSC631316","","CCOC1C2CC(C1[N+](=O)[O-])C=C2","XUTFFPJMZPBEOI-GEPGNKONSA-N","6711564",NA,"PDBC44738","631316","Present"
-"NSC631320","","","","","","","","","","","","","","","","","","","","NSC631320","","COC1=CC=C(C=C1)C23C4C(C(=O)N(C4=O)C5=CC=CC=C5)ON2C6=CC=CC=C6C3=O","XTUDEHARSIPFDI-SXNCYPNXSA-N","364686",NA,"PDBC44739","631320","Present"
-"NSC631377","","","","","","","","","","","","","","","","","","","","NSC631377","","CCC1C(C=CC(N1S(=O)(=O)C2=CC=C(C=C2)C)C)C","PIYQVSCNHUOKRX-LZWOXQAQSA-N","364719",NA,"PDBC44740","631377","Present"
-"NSC631441","","","","","","","","","","","","","","","","","","","","NSC631441","","CC1=NN=N[N-]1.N.N.N.N.N.[Cl-].[Co+3]","NHCGPDZAHAAHDY-UHFFFAOYSA-M","24202165",NA,"PDBC44741","631441","Present"
-"NSC631442","","","","","","","","","","","","","","","","","","","","NSC631442","","CC1=N[N-]N=N1.N.N.N.N.N.[Cl-].[Co+3]","NHCGPDZAHAAHDY-UHFFFAOYSA-M","24202166",NA,"PDBC44742","631442","Present"
-"NSC631443","","","","","","","","","","","","","","","","","","","","NSC631443","","C1=CC=C(C=C1)C2=N[N-]N=N2.N.N.N.N.N.[Cl-].[Co+3]","QDKJDKGQKLWSJL-UHFFFAOYSA-M","24202167",NA,"PDBC44743","631443","Present"
-"NSC631444","","","","","","","","","","","","","","","","","","","","NSC631444","","C(#N)C1=N[N-]N=N1.N.N.N.N.N.[Cl-].[Co+3]","SBRHUOPVXLCEQE-UHFFFAOYSA-M","24202168",NA,"PDBC44744","631444","Present"
-"NSC631445","","","","","","","","","","","","","","","","","","","","NSC631445","","C1(=N[N-]N=N1)C(=O)N.N.N.N.N.N.[Cl-].[Co+3]","YBGBAJHDQROQSM-UHFFFAOYSA-L","24202169",NA,"PDBC44745","631445","Present"
-"NSC631446","","","","","","","","","","","","","","","","","","","","NSC631446","","C1(=N[N-]N=N1)C(=O)[O-].N.N.N.N.N.[Cl-].[Co+3]","CTQNHNCNVZEQKS-UHFFFAOYSA-K","24202170",NA,"PDBC44746","631446","Present"
-"NSC631447","","","","","","","","","","","","","","","","","","","","NSC631447","","C1(=NN=N[N-]1)C2=N[N-]N=N2.N.N.N.N.N.[Cl-].[Co+3]","RFMHCOWOLVCKLM-UHFFFAOYSA-M","24202171",NA,"PDBC44747","631447","Present"
-"NSC631449","","","","","","","","","","","","","","","","","","","","NSC631449","","CC1CC(C(=C1)C=O)(C(=O)OC)O","MTEWNCYUXNWGDW-IOJJLOCKSA-N","6711566",NA,"PDBC44748","631449","Present"
-"NSC631450","","","","","","","","","","","","","","","","","","","","NSC631450","","COC1=CC(=CC(=C1[O-])C=N[N-]C(=S)N)N=NC2=CC=CC=C2.COC1=CC(=CC(=C1[O-])C=N[N-]C(=S)N)N=NC2=CC=CC=C2.[Fe+4]","SOWNVDZJLGTWPH-UHFFFAOYSA-J","11963585",NA,"PDBC44749","631450","Present"
-"NSC631451","","","","","","","","","","","","","","","","","","","","NSC631451","","","","",NA,"PDBC44750","631451","Present"
-"NSC631479","","","","","","","","","","","","","","","","","","","","NSC631479","","","","",NA,"PDBC44751","631479","Present"
-"NSC631519","","","","","","","","","","","","","","","","","","","","NSC631519","","C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=S)N)C(=O)N(C(=O)C3=O)C4=C(C=C(C=C4)Cl)Cl","MIHIQMDEYPMKMM-ZVHZXABRSA-N","5465038",NA,"PDBC44752","631519","Present"
-"NSC631582","","","","","","","","","","","","","","","","","","","","NSC631582","","CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NC3=CC(=C(C(=C3)OC)OC)OC.Cl","AHSPWRWZLMYALP-UHFFFAOYSA-N","364822",NA,"PDBC44753","631582","Present"
-"NSC631596","","","","","","","","","","","","","","","","","","","","NSC631596","","","","",NA,"PDBC44754","631596","Present"
-"NSC631664","","","","","","","","","","","","","","","","","","","","NSC631664","","CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)OC)CC(=O)C(C)(C)C)C","KZDNYIFJOZPINR-JWGURIENSA-N","5465039",NA,"PDBC44755","631664","Present"
-"NSC631665","","","","","","","","","","","","","","","","","","","","NSC631665","","COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)CC#N)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])O","LPQYHRROBQEDGO-MYYYXRDXSA-N","5465040",NA,"PDBC44756","631665","Present"
-"NSC631672","","","","","","","","","","","","","","","","","","","","NSC631672","","CCC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)CC(=O)CCC(=O)NC3=CC(=C(C=C3)C)C","WVZDLPNODPFGSL-XHLNEMQHSA-N","5465042",NA,"PDBC44757","631672","Present"
-"NSC631676","","","","","","","","","","","","","","","","","","","","NSC631676","","CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CC(=O)C(C)(C)C)C","JEBAKYHJTPHXFK-SXBRIOAWSA-N","5479897",NA,"PDBC44758","631676","Present"
-"NSC631677","","","","","","","","","","","","","","","","","","","","NSC631677","","CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C[N+](C)(C)C)CC(=O)C(C)(C)C)C.[Cl-]","KYAHRUFBCFHAJW-VQFXXQHUSA-N","50986643",NA,"PDBC44759","631677","Present"
-"NSC631679","","","","","","","","","","","","","","","","","","","","NSC631679","","CC1=CC(=C(C=C1)C)NC(=O)CCC(=NNC(=O)C(=O)N)C(C)C(=O)C2=CC=C(C=C2)O","WGZJQCZFPLUKNZ-NLRVBDNBSA-N","5465046",NA,"PDBC44760","631679","Present"
-"NSC631681","","","","","","","","","","","","","","","","","","","","NSC631681","","COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)C(=O)N)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])O","BUKFDNXANIDJEY-CFRMEGHHSA-N","5465047",NA,"PDBC44761","631681","Present"
-"NSC631684","","","","","","","","","","","","","","","","","","","","NSC631684","","CCCCCCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(=O)CCC(=O)NCCC2=CC=CC=C2","LVEYLPKWEKMZMC-SGWCAAJKSA-N","5465049",NA,"PDBC44762","631684","Present"
-"NSC631687","","","","","","","","","","","","","","","","","","","","NSC631687","","C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=NO)CC(=NO)C3=CC=C(C=C3)F","NWEHDIQJVKGIOJ-OYUJONNZSA-N","6368667",NA,"PDBC44763","631687","Present"
-"NSC631737","","","","","","","","","","","","","","","","","","","","NSC631737","","","","",NA,"PDBC44764","631737","Present"
-"NSC631738","","","","","","","","","","","","","","","","","","","","NSC631738","","","","",NA,"PDBC44765","631738","Present"
-"NSC631739","","","","","","","","","","","","","","","","","","","","NSC631739","","","","",NA,"PDBC44766","631739","Present"
-"NSC631740","","","","","","","","","","","","","","","","","","","","NSC631740","","","","",NA,"PDBC44767","631740","Present"
-"NSC631741","","","","","","","","","","","","","","","","","","","","NSC631741","","","","",NA,"PDBC44768","631741","Present"
-"NSC631808","","","","","","","","","","","","","","","","","","","","NSC631808","","C1CCC2C(C1)OC(=S)O2","ZSSRBNNSYVEHJT-LWOQYNTDSA-N","364921",NA,"PDBC44769","631808","Present"
-"NSC631916","","","","","","","","","","","","","","","","","","","","NSC631916","","CC1=NC(C2CCC(C1C2)(C)NC(=O)C)(C)C","AKRBICRIVVVNDO-VBVNFKHJSA-N","365005",NA,"PDBC44770","631916","Present"
-"NSC631917","","","","","","","","","","","","","","","","","","","","NSC631917","","CC1=NC(C2CCC(C1C2)(C)NC(=O)C)(C)C","AKRBICRIVVVNDO-DCBWTQNWSA-N","365006",NA,"PDBC44771","631917","Present"
-"NSC631938","","","","","","","","","","","","","","","","","","","","NSC631938","","","","",NA,"PDBC44772","631938","Present"
-"NSC632016","","","","","","","","","","","","","","","","","","","","NSC632016","","CC1=CC=C(C=C1)NC(=O)CCCC(=NNC(=O)CC#N)CC(=O)C2=CC=C(C=C2)Br","UFNKZEKYGDRGSG-OOAXWGSJSA-N","5465055",NA,"PDBC44773","632016","Present"
-"NSC632017","","","","","","","","","","","","","","","","","","","","NSC632017","","C1=CC(=CC=C1C(=O)CC(=NNC(=S)N)C(=O)NC2=NC=C(S2)[N+](=O)[O-])[N+](=O)[O-]","PCMUBDCHCBHFNF-NVMNQCDNSA-N","5480005",NA,"PDBC44774","632017","Present"
-"NSC632024","","","","","","","","","","","","","","","","","","","","NSC632024","","CC(=CC(=O)CC(=NNC(=S)N)C(=O)NC1=CC=C(C=C1)Cl)C","XHPYWPHYGFGTGJ-CPNJWEJPSA-N","5465056",NA,"PDBC44775","632024","Present"
-"NSC632026","","","","","","","","","","","","","","","","","","","","NSC632026","","CCCCN(CCCC)C(=O)C(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)CC(=O)C3=CC=CC4=CC=CC=C43","FDLFVZXEYNUZQG-BNIPGBBVSA-N","5465057",NA,"PDBC44776","632026","Present"
-"NSC632029","","","","","","","","","","","","","","","","","","","","NSC632029","","C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C(=O)NC5=CC=CC(=C5)C(F)(F)F","BBBAEHWCONSLKW-JWHWKPFMSA-N","5465058",NA,"PDBC44777","632029","Present"
-"NSC632030","","","","","","","","","","","","","","","","","","","","NSC632030","","CC(=NNC(=O)CC#N)CC(=O)CCCC(=O)NC1=C(C=C(C=C1)Cl)Cl","GWDWEJWVGHQIPQ-JJFYIABZSA-N","5465059",NA,"PDBC44778","632030","Present"
-"NSC632032","","","","","","","","","","","","","","","","","","","","NSC632032","","CCC(=NO)C(C)C(=O)CCC(=O)NC1=CC=C(C=C1)Cl","USUGUQLVJTZTIF-AQTBWJFISA-N","5465060",NA,"PDBC44779","632032","Present"
-"NSC632038","","","","","","","","","","","","","","","","","","","","NSC632038","","C1CC(C(=NNC(=O)C(=O)NN)C1)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl","ORPVAENJEJFUAI-XKZIYDEJSA-N","5479928",NA,"PDBC44780","632038","Present"
-"NSC632108","","","","","","","","","","","","","","","","","","","","NSC632108","","CC1=C2C(C3C=CC2(C=C3OC)N(C1=O)C(=O)NC4CCCCC4)C5=CC=CC=C5","IPVTXSSBFHSCEP-FMQWRWPZSA-N","6711596",NA,"PDBC44781","632108","Present"
-"NSC632109","","","","","","","","","","","","","","","","","","","","NSC632109","","CC1=C2C(C3C=CC2(C4=CC=CC=C34)N(C1=O)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7","OCJTUCBXBWMLNU-YJCAWSRRSA-N","6711597",NA,"PDBC44782","632109","Present"
-"NSC632110","","","","","","","","","","","","","","","","","","","","NSC632110","","CC1=C2C(C3C=CC2(C=C3C(F)(F)F)N(C1=O)C(=O)NC4CCCCC4)C5=CC=CC=C5","JEGVHWSFRMXRDN-WLBKGHODSA-N","6711598",NA,"PDBC44783","632110","Present"
-"NSC632112","","","","","","","","","","","","","","","","","","","","NSC632112","","CC1=C2C(C3C=CC2(C4=CC=CC=C34)N(C1=O)C(=O)NC5=CC=CC6=CC=CC=C65)C7=CC=CC=C7","FYGHGIIJDSWKGL-YCQMHXFUSA-N","6711599",NA,"PDBC44784","632112","Present"
-"NSC632131","","","","","","","","","","","","","","","","","","","","NSC632131","","CC(CNCCCNCCNCCCNCO)[N+](=O)[O-].Cl","OBLLXINEQIUSDD-UHFFFAOYSA-N","365103",NA,"PDBC44785","632131","Present"
-"NSC632182","","","","","","","","","","","","","","","","","","","","NSC632182","","CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CSCC=C)NC(=O)COC2=CC=CC=C2)C","KAANATBIQMHISF-QFIPXVFZSA-N","365119",NA,"PDBC44786","632182","Present"
-"NSC632184","","","","","","","","","","","","","","","","","","","","NSC632184","","CCCSSC1C(C(=O)N1)NC(=O)COC2=CC=CC=C2","STQPPDVIRNKFTL-TZMCWYRMSA-N","365121",NA,"PDBC44787","632184","Present"
-"NSC632237","","","","","","","","","","","","","","","","","","","","NSC632237","","CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C(=O)N)CC(=O)C(C)(C)C)C","YOGIWKZIZBVCAT-HAHDFKILSA-N","5465061",NA,"PDBC44788","632237","Present"
-"NSC632238","","","","","","","","","","","","","","","","","","","","NSC632238","","CCCCCCC(=NNC(=O)C1=C(C2=CC=CC=C2C=C1)O)CC(=O)CCC(=O)NCCC3=CC=CC=C3","QHFXLZUKKOVVET-INKHBPHZSA-N","5479898",NA,"PDBC44789","632238","Present"
-"NSC632240","","","","","","","","","","","","","","","","","","","","NSC632240","","C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=NNC(=O)NN)C(C#N)C2=CC=C(C=C2)CC#N","KRHDZGAUECMQEQ-RRAHZORUSA-N","5465062",NA,"PDBC44790","632240","Present"
-"NSC632481","","","","","","","","","","","","","","","","","","","","NSC632481","","CC(C)C1C=C(C2=CC=CC=C2C1C(C#N)(C#N)C(C)C)C3=CC=CC=C3","WQTAIWKVOYFEAW-OWJIYDKWSA-N","365188",NA,"PDBC44791","632481","Present"
-"NSC632542","","","","","","","","","","","","","","","","","","","","NSC632542","","C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC3=CC=CO3.Cl","WNDMMSAYWQVCAY-HRNDJLQDSA-N","6516421",NA,"PDBC44792","632542","Present"
-"NSC632543","","","","","","","","","","","","","","","","","","","","NSC632543","","C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-].Cl","STQNPYJQXXYGQR-WVLIHFOGSA-N","6516422",NA,"PDBC44793","632543","Present"
-"NSC632544","","","","","","","","","","","","","","","","","","","","NSC632544","","CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl","ICPRVIGVVYXGFE-UHFFFAOYSA-N","365218",NA,"PDBC44794","632544","Present"
-"NSC632819","","","","","","","","","","","","","","","","","","","","NSC632819","","","","",NA,"PDBC44795","632819","Present"
-"NSC632820","","","","","","","","","","","","","","","","","","","","NSC632820","","","","",NA,"PDBC44796","632820","Present"
-"NSC632822","","","","","","","","","","","","","","","","","","","","NSC632822","","C1CC(C(=NO)C(=CC2=CC=C(C=C2)F)C1)C(C3=CC=C(C=C3)F)NO","UXDMUBQZCGHXNL-VTWWSLAJSA-N","5879403",NA,"PDBC44797","632822","Present"
-"NSC632823","","","","","","","","","","","","","","","","","","","","NSC632823","","C1CC(C(=NO)C(=CC2=CC3=C(C=C2)OCO3)C1)C(C4=CC5=C(C=C4)OCO5)NO","QKIJRORHADNFJM-OUFNXEEISA-N","6475312",NA,"PDBC44798","632823","Present"
-"NSC632824","","","","","","","","","","","","","","","","","","","","NSC632824","","C1CC(C(=NO)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C1)C(C4=CC=C(C=C4)OCC5=CC=CC=C5)NO","BOAQPWHPPGAOBM-YBJGGTIYSA-N","5928828",NA,"PDBC44799","632824","Present"
-"NSC632825","","","","","","","","","","","","","","","","","","","","NSC632825","","C1CC(C(=NO)C(=CC2=CC=C(C=C2)OC3=CC=CC=C3)C1)C(C4=CC=C(C=C4)OC5=CC=CC=C5)NO","PWRSGJIYSDCUGZ-LBYIIPKESA-N","5911014",NA,"PDBC44800","632825","Present"
-"NSC632826","","","","","","","","","","","","","","","","","","","","NSC632826","","CC1=CC=C(C=C1)C=C2CCCC(C2=NO)C(C3=CC=C(C=C3)C)NO","HWQOPKDWYTZYLY-GDBHHJMHSA-N","5798147",NA,"PDBC44801","632826","Present"
-"NSC632827","","","","","","","","","","","","","","","","","","","","NSC632827","","COC1=CC=C(C=C1)C=C2CCCC(C2=NO)C(C3=CC=C(C=C3)OC)NO","LSPQAPMSPVMUIX-AMHACFBHSA-N","6477176",NA,"PDBC44802","632827","Present"
-"NSC632828","","","","","","","","","","","","","","","","","","","","NSC632828","","C1CC(C(=NO)C(=CC2=CC=C(C=C2)Cl)C1)C(C3=CC=C(C=C3)Cl)NO","UBTZIGTZUQCBSM-VTWWSLAJSA-N","5796650",NA,"PDBC44803","632828","Present"
-"NSC632829","","","","","","","","","","","","","","","","","","","","NSC632829","","C1CC(C(=NO)C(=CC2=CC(=C(C=C2)Cl)Cl)C1)C(C3=CC(=C(C=C3)Cl)Cl)NO","WJLNMDAGYMKYBT-CKRBYCFASA-N","6477069",NA,"PDBC44804","632829","Present"
-"NSC632838","","","","","","","","","","","","","","","","","","","","NSC632838","","C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1.Cl","ATKSBCRDKVUKSY-XETSTSIRSA-N","44567341",NA,"PDBC44805","632838","Present"
-"NSC632840","","","","","","","","","","","","","","","","","","","","NSC632840","","COC1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)OC)C2=O.Cl","LVEUVLZOULPGGO-OYJDLGDISA-N","12721859",NA,"PDBC44806","632840","Present"
-"NSC632929","","","","","","","","","","","","","","","","","","","","NSC632929","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)NN","MSMMNDOAZXDPFT-ZROIWOOFSA-N","5388163",NA,"PDBC44807","632929","Present"
-"NSC632932","","","","","","","","","","","","","","","","","","","","NSC632932","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NN","GCUKFUYVUWDOQJ-UVTDQMKNSA-N","5388164",NA,"PDBC44808","632932","Present"
-"NSC632933","","","","","","","","","","","","","","","","","","","","NSC632933","","C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)NN","FCBDTZXFBKBSGP-ZSOIEALJSA-N","5388165",NA,"PDBC44809","632933","Present"
-"NSC632939","","","","","","","","","","","","","","","","","","","","NSC632939","","CCCCCCCCCCCCCCCCC(=C(C(=O)OCC)O)C(=O)OC.[Na+]","JFGLSKDSBYKTDR-CFRCJOIHSA-N","54723282",NA,"PDBC44810","632939","Present"
-"NSC632940","","","","","","","","","","","","","","","","","","","","NSC632940","","CCCCCCCCCCCCCCC(=C(C(=O)OCC)O)C(=O)OC.[Na+]","DSFKKBZGTGJHRO-TVWXOORISA-N","54723283",NA,"PDBC44811","632940","Present"
-"NSC632941","","","","","","","","","","","","","","","","","","","","NSC632941","","CCOC(=O)C(=C(C1=CC=C(C=C1)Cl)C(=O)OC)O.[Na+]","GWPLREWAPNDPKI-GMFCBQQYSA-N","54723284",NA,"PDBC44812","632941","Present"
-"NSC632944","","","","","","","","","","","","","","","","","","","","NSC632944","","CCCCCCC(CC=CCCCCCCC(=C(C(=O)OCC)O)C(=O)OC)O.[Na+]","ONIXBCCBBPAIEZ-RFDCZNHNSA-N","54723287",NA,"PDBC44813","632944","Present"
-"NSC632951","","","","","","","","","","","","","","","","","","","","NSC632951","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CC4=CC=CC=C43)C(=O)O2","YYCXXTRMDFPLAF-AQTBWJFISA-N","1945690",NA,"PDBC44814","632951","Present"
-"NSC633004","","","","","","","","","","","","","","","","","","","","NSC633004","","C1=CC=C(C=C1)C(=NO)CS(=O)(=O)C2=CC=CC=C2","WVUQXZSJMSIFGV-CCEZHUSRSA-N","5465070",NA,"PDBC44815","633004","Present"
-"NSC633020","","","","","","","","","","","","","","","","","","","","NSC633020","","C1=CC=C2C(=C1)C(=C3C(=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)Cl)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","NPEREOQVQJOLML-UHFFFAOYSA-N","365400",NA,"PDBC44816","633020","Present"
-"NSC633023","","","","","","","","","","","","","","","","","","","","NSC633023","","C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)N=C4C=C(C=CC4=C2NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N)Cl","QJLINRUCTSFSIX-UHFFFAOYSA-N","365403",NA,"PDBC44817","633023","Present"
-"NSC633059","","","","","","","","","","","","","","","","","","","","NSC633059","","CCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)O)O","XQNOCHPTUCJHOX-UHFFFAOYSA-N","365434",NA,"PDBC44818","633059","Present"
-"NSC633061","","","","","","","","","","","","","","","","","","","","NSC633061","","CCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)O)O","HPRBJMGPAUWANO-UHFFFAOYSA-N","365436",NA,"PDBC44819","633061","Present"
-"NSC633062","","","","","","","","","","","","","","","","","","","","NSC633062","","CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)O)O","SJKAVGGGPSSCSN-UHFFFAOYSA-N","365437",NA,"PDBC44820","633062","Present"
-"NSC633064","","","","","","","","","","","","","","","","","","","","NSC633064","","CCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)CCCCCCCCC)O","SQTNOIZAKDWXKI-UHFFFAOYSA-N","365439",NA,"PDBC44821","633064","Present"
-"NSC633067","","","","","","","","","","","","","","","","","","","","NSC633067","","CCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)CCCCCCC)O","JLDODMIVSVWZAQ-UHFFFAOYSA-N","365442",NA,"PDBC44822","633067","Present"
-"NSC633098","","","","","","","","","","","","","","","","","","","","NSC633098","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3)N4CCOCC4","QGHKQIFGVNSCTL-OUKQBFOZSA-N","15075880",NA,"PDBC44823","633098","Present"
-"NSC633099","","","","","","","","","","","","","","","","","","","","NSC633099","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC)N4CCOCC4","GXHCTVXAPYLBOY-JLHYYAGUSA-N","6516466",NA,"PDBC44824","633099","Present"
-"NSC633100","","","","","","","","","","","","","","","","","","","","NSC633100","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl)N4CCOCC4","UHGATTVYMNGGBF-FMIVXFBMSA-N","15075881",NA,"PDBC44825","633100","Present"
-"NSC633101","","","","","","","","","","","","","","","","","","","","NSC633101","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)F)N4CCOCC4","SLHNSIOGYSYLIO-FMIVXFBMSA-N","15075882",NA,"PDBC44826","633101","Present"
-"NSC633106","","","","","","","","","","","","","","","","","","","","NSC633106","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3)N4CCCCC4","ODISEHHLLDQKIP-FOCLMDBBSA-N","6516467",NA,"PDBC44827","633106","Present"
-"NSC633107","","","","","","","","","","","","","","","","","","","","NSC633107","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC)N4CCCCC4","PUPYSRAGDHGXRF-DTQAZKPQSA-N","15075883",NA,"PDBC44828","633107","Present"
-"NSC633108","","","","","","","","","","","","","","","","","","","","NSC633108","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl)N4CCCCC4","PIGNUWDYJJDECV-NTCAYCPXSA-N","15075884",NA,"PDBC44829","633108","Present"
-"NSC633109","","","","","","","","","","","","","","","","","","","","NSC633109","","CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)F)N4CCCCC4","HCPNGPVLUDAUFL-NTCAYCPXSA-N","15075885",NA,"PDBC44830","633109","Present"
-"NSC633233","","","","","","","","","","","","","","","","","","","","NSC633233","","","","",NA,"PDBC44831","633233","Present"
-"NSC633243","","","","","","","","","","","","","","","","","","","","NSC633243","","","","",NA,"PDBC44832","633243","Present"
-"NSC633260","","","","","","","","","","","","","","","","","","","","NSC633260","","CC(=C1C=CC=CN1O)N=NS(=O)(=O)C2=CC=CC=C2","ZPUKOOVSPACMGW-YASHDYHLSA-N","24202215",NA,"PDBC44833","633260","Present"
-"NSC633261","","","","","","","","","","","","","","","","","","","","NSC633261","","CC1=CC=C(C=C1)S(=O)(=O)N=NC(=C2C=CC=CN2O)C","IFUAFYHLCRSMHE-AUBNMFOQSA-N","24202216",NA,"PDBC44834","633261","Present"
-"NSC633262","","","","","","","","","","","","","","","","","","","","NSC633262","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N=NC(=C2C=CC=CN2O)C)C","DOMJZXWEJYABIX-KUEFFENUSA-N","24202217",NA,"PDBC44835","633262","Present"
-"NSC633263","","","","","","","","","","","","","","","","","","","","NSC633263","","CC(=C1C=CC=CN1O)N=NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","CSVODTRHJOWRTG-PDFXNIHZSA-N","24202218",NA,"PDBC44836","633263","Present"
-"NSC633264","","","","","","","","","","","","","","","","","","","","NSC633264","","CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=N[N+](=CC=C2)[O-]","IQDCMHOWMOVXQT-JLHYYAGUSA-N","6399313",NA,"PDBC44837","633264","Present"
-"NSC633265","","","","","","","","","","","","","","","","","","","","NSC633265","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=N[N+](=CC=C2)[O-]","NIYVXGKMCFCMBB-SDNWHVSQSA-N","6399314",NA,"PDBC44838","633265","Present"
-"NSC633266","","","","","","","","","","","","","","","","","","","","NSC633266","","CC1=CC(=C(C(=C1)C)S(=O)(=O)NN=C(C)C2=N[N+](=CC=C2)[O-])C","AUWDZKJNJNBFAD-DTQAZKPQSA-N","6399315",NA,"PDBC44839","633266","Present"
-"NSC633267","","","","","","","","","","","","","","","","","","","","NSC633267","","CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=N[N+](=CC=C2)[O-]","YYCPWJDTMANMDX-UKTHLTGXSA-N","6399316",NA,"PDBC44840","633267","Present"
-"NSC633392","","","","","","","","","","","","","","","","","","","","NSC633392","","C1=CC=C2C(=C1)C(=CC=N2)C=C(C#N)C(=C(C#N)C#N)N","WUHQDOPBKHBJIG-GHXNOFRVSA-N","5388193",NA,"PDBC44841","633392","Present"
-"NSC633478","","","","","","","","","","","","","","","","","","","","NSC633478","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=C(C=C8)F)C(=O)N(C6=O)C9=CC=C(C=C9)F","CFZUZBDILNXKNI-ICMUNRSGSA-N","365624",NA,"PDBC44842","633478","Present"
-"NSC633479","","","","","","","","","","","","","","","","","","","","NSC633479","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5(C6C(C42C7C5C(=O)N(C7=O)C8=CC=C(C=C8)Br)C(=O)N(C6=O)C9=CC=C(C=C9)Br)[N+](=O)[O-]","ZTLOLDGPZRPSSH-ULZJPGSCSA-N","365625",NA,"PDBC44843","633479","Present"
-"NSC633481","","","","","","","","","","","","","","","","","","","","NSC633481","","CCCC1(C(=NO)C(N(C1=O)O)(C)C=CC)C","DJKXSIULBUPHMY-POGDJVRHSA-N","6477071",NA,"PDBC44844","633481","Present"
-"NSC633482","","","","","","","","","","","","","","","","","","","","NSC633482","","CC(C)CC1(C(=NO)C(N(C1=O)O)(C)C=C(C)C)C","RHQKMXIYPDCIJI-PTNGSMBKSA-N","5481309",NA,"PDBC44845","633482","Present"
-"NSC633487","","","","","","","","","","","","","","","","","","","","NSC633487","","CC1=CC2=C(C=C1)C(=C(N2)C)C3CC4=CC=CC=C4N3C(=O)C=CC(=O)O","ICPQBEJQAPCPHR-KTKRTIGZSA-N","5388206",NA,"PDBC44846","633487","Present"
-"NSC633526","","","","","","","","","","","","","","","","","","","","NSC633526","","CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=CC=CC=C5.Cl","CPXLOTJOCRUWQY-UHFFFAOYSA-N","365673",NA,"PDBC44847","633526","Present"
-"NSC633528","","","","","","","","","","","","","","","","","","","","NSC633528","","CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN(C)C","DXQJZBCFXAFMAA-UHFFFAOYSA-N","365675",NA,"PDBC44848","633528","Present"
-"NSC633533","","","","","","","","","","","","","","","","","","","","NSC633533","","C1CCN2CN3CCC4=C(C3C2C1)NC5=CC=CC=C45","JZUJEEJLBUKNDP-OMOCHNIRSA-N","365680",NA,"PDBC44849","633533","Present"
-"NSC633534","","","","","","","","","","","","","","","","","","","","NSC633534","","CCC1N2CCCCC2C3N1CCC4=C3NC5=CC=CC=C45","WETNQTVELGGQDM-FAFZWHIHSA-N","365681",NA,"PDBC44850","633534","Present"
-"NSC633535","","","","","","","","","","","","","","","","","","","","NSC633535","","CCCC1N2CCCCC2C3N1CCC4=C3NC5=CC=CC=C45","VZHGEXFEHRBJJW-AFMYVXGZSA-N","365682",NA,"PDBC44851","633535","Present"
-"NSC633536","","","","","","","","","","","","","","","","","","","","NSC633536","","CC(C)C1N2CCCCC2C3N1CCC4=C3NC5=CC=CC=C45","KAPLWYIKWWQMQW-SKINQDTJSA-N","365683",NA,"PDBC44852","633536","Present"
-"NSC633537","","","","","","","","","","","","","","","","","","","","NSC633537","","C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=C5)C6=CC=CC=C6N4","IVCBTXQYHREPNE-GTMAMOSYSA-N","365684",NA,"PDBC44853","633537","Present"
-"NSC633538","","","","","","","","","","","","","","","","","","","","NSC633538","","C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=C5Cl)C6=CC=CC=C6N4","DEZWKIQYIZDMDY-GTMAMOSYSA-N","365685",NA,"PDBC44854","633538","Present"
-"NSC633539","","","","","","","","","","","","","","","","","","","","NSC633539","","C1CCN2C(C1)C3C4=C(CCN3C2C5=CC(=CC=C5)Cl)C6=CC=CC=C6N4","KFFHAHIXCYVGIC-GTMAMOSYSA-N","365686",NA,"PDBC44855","633539","Present"
-"NSC633540","","","","","","","","","","","","","","","","","","","","NSC633540","","C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=C(C=C5)Cl)C6=CC=CC=C6N4","LVRGUQOBRYEEEZ-GTMAMOSYSA-N","365687",NA,"PDBC44856","633540","Present"
-"NSC633542","","","","","","","","","","","","","","","","","","","","NSC633542","","C1CCN2C(C1)C3C4=C(CCN3C2C5=CC(=CC=C5)[N+](=O)[O-])C6=CC=CC=C6N4","IFTOJBGVZHGMAL-GTMAMOSYSA-N","365689",NA,"PDBC44857","633542","Present"
-"NSC633543","","","","","","","","","","","","","","","","","","","","NSC633543","","C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6N4","ZQHNQGAJGJRLCF-GTMAMOSYSA-N","365690",NA,"PDBC44858","633543","Present"
-"NSC633544","","","","","","","","","","","","","","","","","","","","NSC633544","","CCN(CC)C1=CC=C(C=C1)C2N3CCCCC3C4N2CCC5=C4NC6=CC=CC=C56","HGNUXCZTXYRJAG-HHZPJPPKSA-N","365691",NA,"PDBC44859","633544","Present"
-"NSC633545","","","","","","","","","","","","","","","","","","","","NSC633545","","COC1=CC=CC(=C1OC)C2N3CCCCC3C4N2CCC5=C4NC6=CC=CC=C56","UGEUDCCVECRBFX-JKJRPBHFSA-N","365692",NA,"PDBC44860","633545","Present"
-"NSC633546","","","","","","","","","","","","","","","","","","","","NSC633546","","COC1=CC(=C(C=C1)C2N3CCCCC3C4N2CCC5=C4NC6=CC=CC=C56)OC","OPAURFWSUNCBPO-OOAAYMRMSA-N","365693",NA,"PDBC44861","633546","Present"
-"NSC633547","","","","","","","","","","","","","","","","","","","","NSC633547","","C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=N5)C6=CC=CC=C6N4","VZXICYSIGYOTKX-NJEKYYFSSA-N","365694",NA,"PDBC44862","633547","Present"
-"NSC633548","","","","","","","","","","","","","","","","","","","","NSC633548","","C1CCN2C(C1)C3C4=C(CCN3C2C5=CN=CC=C5)C6=CC=CC=C6N4","UNYHVNRWJOVJSI-NJEKYYFSSA-N","365695",NA,"PDBC44863","633548","Present"
-"NSC633549","","","","","","","","","","","","","","","","","","","","NSC633549","","CC1=CC=C(C=C1)[N-]C=NC2=CC=C(C=C2)C.CC1=CC=C(C=C1)[N-]C=NC2=CC=C(C=C2)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[OH3+].[OH3+].[Rh+2].[Rh+2]","MEAYMXOPHWUSCH-UHFFFAOYSA-N","24202228",NA,"PDBC44864","633549","Present"
-"NSC633641","","","","","","","","","","","","","","","","","","","","NSC633641","","","","",NA,"PDBC44865","633641","Present"
-"NSC633842","","","","","","","","","","","","","","","","","","","","NSC633842","","CNCC1=C(C=CC(=C1)OC)C2=C(C(=C(C=C2)OC)OC)OC.Cl","VJAWMVYVXHQERY-UHFFFAOYSA-N","365769",NA,"PDBC44866","633842","Present"
-"NSC633917","","","","","","","","","","","","","","","","","","","","NSC633917","","CC(=NO)CCN1C(=O)C=CC(=O)N1.Cl","XLDITBJZVCYPET-AAGWESIMSA-N","9570026",NA,"PDBC44867","633917","Present"
-"NSC633932","","","","","","","","","","","","","","","","","","","","NSC633932","","CCOC(=O)C1C(=NC(=NC(=N)N[N+](=O)[O-])S1)C","BQIQGRUZQOXCRZ-FLIBITNWSA-N","135439990",NA,"PDBC44868","633932","Present"
-"NSC633942","","","","","","","","","","","","","","","","","","","","NSC633942","","C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])S3","XBMKPBKZDSJTCY-ZROIWOOFSA-N","5388227",NA,"PDBC44869","633942","Present"
-"NSC633946","","","","","","","","","","","","","","","","","","","","NSC633946","","CCOC(=O)CC1=NC(=NC(=N)N[N+](=O)[O-])SC1","WUCPQBUAPFLDQO-FLIBITNWSA-N","135439991",NA,"PDBC44870","633946","Present"
-"NSC633963","","","","","","","","","","","","","","","","","","","","NSC633963","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","UBVPVXFJUBGCCL-UHFFFAOYSA-N","365885",NA,"PDBC44871","633963","Present"
-"NSC633964","","","","","","","","","","","","","","","","","","","","NSC633964","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","JUGYBOCTRNVFSG-UHFFFAOYSA-N","365887",NA,"PDBC44872","633964","Present"
-"NSC633985","","","","","","","","","","","","","","","","","","","","NSC633985","","CC1(OCC(O1)C2C(C(=O)N2C3=CC=C(C=C3)OC)N=[N+]=[N-])C","VDKDFDANZWORNP-AGIUHOORSA-N","6711643",NA,"PDBC44873","633985","Present"
-"NSC634036","","","","","","","","","","","","","","","","","","","","NSC634036","","C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)C(=O)NN=C2N)Br","ATWFHNRKSLRLLA-UHFFFAOYSA-N","365914",NA,"PDBC44874","634036","Present"
-"NSC634037","","","","","","","","","","","","","","","","","","","","NSC634037","","C1=C2C(=C(N=N1)N)C(=CN2C3C(C(C(O3)CO)O)O)Br","AFOWYBXSFOGRKR-UHFFFAOYSA-N","365915",NA,"PDBC44875","634037","Present"
-"NSC634040","","","","","","","","","","","","","","","","","","","","NSC634040","","CC1CCC2C(COC3C24C1CCC(O3)(OO4)C)C","BOQMASYCUFVXCR-PNFXGDSFSA-N","365918",NA,"PDBC44876","634040","Present"
-"NSC634161","","","","","","","","","","","","","","","","","","","","NSC634161","","C1C(=CC2=CC=C(C=C2)C=C3CC(=O)N(C3=O)C4=CC(=CC=C4)Br)C(=O)N(C1=O)C5=CC(=CC=C5)Br","DNEWVCBAGDZJJM-YZLQMOBTSA-N","5388257",NA,"PDBC44877","634161","Present"
-"NSC634163","","","","","","","","","","","","","","","","","","","","NSC634163","","C=CCNC(=O)C=CC(=O)O","SZYZSIWKJQRNIE-ARJAWSKDSA-N","1551409",NA,"PDBC44878","634163","Present"
-"NSC634167","","","","","","","","","","","","","","","","","","","","NSC634167","","CC(C)(C)C1=CC2=C(C=CC(=C2)OC)S(=O)(=O)N1","AHZHQTOOJVAMJU-UHFFFAOYSA-N","6711649",NA,"PDBC44879","634167","Present"
-"NSC634169","","","","","","","","","","","","","","","","","","","","NSC634169","","","","",NA,"PDBC44880","634169","Present"
-"NSC634170","","","","","","","","","","","","","","","","","","","","NSC634170","","","","",NA,"PDBC44881","634170","Present"
-"NSC634173","","","","","","","","","","","","","","","","","","","","NSC634173","","","","",NA,"PDBC44882","634173","Present"
-"NSC634190","","","","","","","","","","","","","","","","","","","","NSC634190","","C1COC(=O)C1=C(C2=CC=CC=C2N)O","DPYSYUVOUGVWBV-CSKARUKUSA-N","54695451",NA,"PDBC44883","634190","Present"
-"NSC634191","","","","","","","","","","","","","","","","","","","","NSC634191","","CC(C)(C)C1=CC2=CC3=C(C=C2C(=O)N1)S(=O)(=O)NC(=C3)C(C)(C)C","YSDKPERPANVMJB-UHFFFAOYSA-N","6711652",NA,"PDBC44884","634191","Present"
-"NSC634192","","","","","","","","","","","","","","","","","","","","NSC634192","","CC(C)(C)C1=CC2=CC(=C(C=C2S(=O)(=O)N1)C(=O)O)CC(=O)C(C)(C)C","CBLGMKJWLSLWJF-UHFFFAOYSA-N","6711653",NA,"PDBC44885","634192","Present"
-"NSC634227","","","","","","","","","","","","","","","","","","","","NSC634227","","C#CC1=CC(=CC=C1)NC(=O)C=CC(=O)O","KYXCLGDXZKCWBH-SREVYHEPSA-N","5388260",NA,"PDBC44886","634227","Present"
-"NSC634233","","","","","","","","","","","","","","","","","","","","NSC634233","","C1=CC=C(C=C1)C(CC=CC(=O)NC2=CC=CC=C2Cl)(C3=CC=CC=C3)O","GVPXIZOZMQZOGX-CXUHLZMHSA-N","5388261",NA,"PDBC44887","634233","Present"
-"NSC634602","","","","","","","","","","","","","","","","","","","","NSC634602","","CC(C)C1=CC(=C(C=C1)O)CC2=CC(=CC(=C2O)CC3=C(C=CC(=C3)C(C)C)O)C(C)C","YQERQEMYOWRTEC-UHFFFAOYSA-N","366254",NA,"PDBC44888","634602","Present"
-"NSC634621","","","","","","","","","","","","","","","","","","","","NSC634621","","CCN(CC)C1=C(C(=NN(C1=O)C)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3","FVVVAESUPUISCI-WUKNDPDISA-N","5911335",NA,"PDBC44889","634621","Present"
-"NSC634622","","","","","","","","","","","","","","","","","","","","NSC634622","","CCN(CC)C1=C(C(=NN(C1=O)C)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC","NRCHFRUUJIMWCJ-SAPNQHFASA-N","5930607",NA,"PDBC44890","634622","Present"
-"NSC634623","","","","","","","","","","","","","","","","","","","","NSC634623","","CCN(CC)C1=C(C(=NN(C1=O)C)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl","CKNAMVAAAUPELN-DTQAZKPQSA-N","6052983",NA,"PDBC44891","634623","Present"
-"NSC634624","","","","","","","","","","","","","","","","","","","","NSC634624","","CCN(CC)C1=C(C(=NN(C1=O)C)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)F","IRIIFCWHPQYNNV-DTQAZKPQSA-N","6270288",NA,"PDBC44892","634624","Present"
-"NSC634659","","","","","","","","","","","","","","","","","","","","NSC634659","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NNC(=O)C[N+]3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Cl-]","KZNCLGJZNSEEDG-UHFFFAOYSA-N","5479821",NA,"PDBC44893","634659","Present"
-"NSC634664","","","","","","","","","","","","","","","","","","","","NSC634664","","CC1=CC=C(C=C1)NC(=O)C(=NNC(=O)C[N+]2=CC=CC=C2)CC(=O)C3=C[N+](=O)C4=CC=CC=C4N3[O-].[Cl-]","CSYDTUCHFQEIHU-UHFFFAOYSA-N","5479824",NA,"PDBC44894","634664","Present"
-"NSC634668","","","","","","","","","","","","","","","","","","","","NSC634668","","CCC1=CC=CC=C1NC(=O)C(=NNS(=O)(=O)C2=CC=C(C=C2)C)CC(=O)C3=C(N(C4=CC=CC=C4[N+]3=O)[O-])C","KEUYJKKLYMVQHO-WMMMYUQOSA-N","5479826",NA,"PDBC44895","634668","Present"
-"NSC634669","","","","","","","","","","","","","","","","","","","","NSC634669","","CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)CC(=NOCCCC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5","URFXYOWSZSPHDX-LSWMGQQCSA-N","5479827",NA,"PDBC44896","634669","Present"
-"NSC634670","","","","","","","","","","","","","","","","","","","","NSC634670","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NNC(=O)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl","NBAIAFKNZRMVIZ-BRPDVVIDSA-N","5479828",NA,"PDBC44897","634670","Present"
-"NSC634673","","","","","","","","","","","","","","","","","","","","NSC634673","","CCOC1=CC=C(C=C1)NC(=O)C(=NOCCCC2=CC=CC=C2)CC(=O)C3=C[N+](=O)C4=CC=CC=C4N3[O-]","AZLCZVMWAAIKJA-QLTSDVKISA-N","5479829",NA,"PDBC44898","634673","Present"
-"NSC634674","","","","","","","","","","","","","","","","","","","","NSC634674","","CC1=C(C(=CC=C1)NC(=O)C(=NNC(=O)C[N+](C)(C)C)CC(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)OC)[O-])C)C.[Cl-]","RSVOWFJSBRRLDC-UHFFFAOYSA-N","5479830",NA,"PDBC44899","634674","Present"
-"NSC634675","","","","","","","","","","","","","","","","","","","","NSC634675","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C)C(=O)NC4=CC=CC=C4C","JVDDEAXRLACPPK-IADYIPOJSA-N","5479832",NA,"PDBC44900","634675","Present"
-"NSC634677","","","","","","","","","","","","","","","","","","","","NSC634677","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C)C(=O)NC4=CC(=C(C=C4)C)C","UVNNTGSWYKTIGN-WMMMYUQOSA-N","5479833",NA,"PDBC44901","634677","Present"
-"NSC634736","","","","","","","","","","","","","","","","","","","","NSC634736","","C1=CC=C2C(=C1)C3=CC4=C(C=C3C2=NN)C(=NN)C5=CC=CC=C54","VCWMEMPTAIXINL-BLVCXSLXSA-N","9570030",NA,"PDBC44902","634736","Present"
-"NSC634738","","","","","","","","","","","","","","","","","","","","NSC634738","","CC12CC(CC(O1)(OC2)C)S(=O)(=O)C3=CC=CC=C3","GOIBHWFIEDHFHI-JXQTWKCFSA-N","366362",NA,"PDBC44903","634738","Present"
-"NSC634763","","","","","","","","","","","","","","","","","","","","NSC634763","","CN(C(=O)N(CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)N)N=O","KDJWSPQEDIGCNB-UHFFFAOYSA-N","366394",NA,"PDBC44904","634763","Present"
-"NSC634767","","","","","","","","","","","","","","","","","","","","NSC634767","","C#CCN(C(=O)NCCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)N=O","GGYJNTBHBHANPL-UHFFFAOYSA-N","366398",NA,"PDBC44905","634767","Present"
-"NSC634769","","","","","","","","","","","","","","","","","","","","NSC634769","","C#CCN(C(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=O","FGVGFAJZGIGPRM-UHFFFAOYSA-N","366400",NA,"PDBC44906","634769","Present"
-"NSC634780","","","","","","","","","","","","","","","","","","","","NSC634780","","C1CC(C(=NO)C(=CC2=CC=C(C=C2)Br)C1)C(C3=CC=C(C=C3)Br)NO","PKRYAXQEHSGSEJ-VTWWSLAJSA-N","6051723",NA,"PDBC44907","634780","Present"
-"NSC634782","","","","","","","","","","","","","","","","","","","","NSC634782","","COC1=CC=C(C=C1)C=C2CCCCC2=NO","YKKUXOGVLHUDNF-CWXQJLEJSA-N","6477085",NA,"PDBC44908","634782","Present"
-"NSC634783","","","","","","","","","","","","","","","","","","","","NSC634783","","C1CCC(=NNC(=S)N)C(=CC2=CC=CC=C2)C1","FPXMOZPLGOOXJA-XBKMVRDJSA-N","9554720",NA,"PDBC44909","634783","Present"
-"NSC634787","","","","","","","","","","","","","","","","","","","","NSC634787","","CN(C)CCC(=NNC1=CC=C(C=C1)Cl)C=CC2=CC=CC=C2.Cl","CTDADHMWUJWJCJ-DOKGIRCESA-N","9570037",NA,"PDBC44910","634787","Present"
-"NSC634790","","","","","","","","","","","","","","","","","","","","NSC634790","","C1CC(=CC2=CC=CC=C2)C(=NNC3=CC=CC=C3)C(=CC4=CC=CC=C4)C1","QQRAQEBHQRSEGT-SRPFLQSCSA-N","54601835",NA,"PDBC44911","634790","Present"
-"NSC634800","","","","","","","","","","","","","","","","","","","","NSC634800","","CN(C)CCCOC1=CC=C(C=C1)C=C2CCCC(=CC3=CC=C(C=C3)OCCCN(C)C)C2=O","GLNLAJVNRGWNEM-VDUNRZOZSA-N","6374645",NA,"PDBC44912","634800","Present"
-"NSC634997","","","","","","","","","","","","","","","","","","","","NSC634997","","","","",NA,"PDBC44913","634997","Present"
-"NSC634998","","","","","","","","","","","","","","","","","","","","NSC634998","","","","",NA,"PDBC44914","634998","Present"
-"NSC634999","","","","","","","","","","","","","","","","","","","","NSC634999","","","","",NA,"PDBC44915","634999","Present"
-"NSC635000","","","","","","","","","","","","","","","","","","","","NSC635000","","","","",NA,"PDBC44916","635000","Present"
-"NSC635001","","","","","","","","","","","","","","","","","","","","NSC635001","","","","",NA,"PDBC44917","635001","Present"
-"NSC635002","","","","","","","","","","","","","","","","","","","","NSC635002","","","","",NA,"PDBC44918","635002","Present"
-"NSC635076","","","","","","","","","","","","","","","","","","","","NSC635076","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(N)N)C)NC(=O)CCCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","XKTHFKFKDMNGEL-UHFFFAOYSA-N","366499",NA,"PDBC44919","635076","Present"
-"NSC635119","","","","","","","","","","","","","","","","","","","","NSC635119","","CC1=C(C=CC(=C1)Cl)N2C(=O)C(=NNC(=O)C3=CC=CC=C3O)C(C(=O)C2=O)C4=NC5=CC=CC=C5S4","ZDASDVIFAVOURF-XHLNEMQHSA-N","5479899",NA,"PDBC44920","635119","Present"
-"NSC635128","","","","","","","","","","","","","","","","","","","","NSC635128","","C1=CC=C2C(=C1)N=C(S2)C3C(=NN)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl","ZEWKEPCUNIRPFL-HYARGMPZSA-N","5465096",NA,"PDBC44921","635128","Present"
-"NSC635318","","","","","","","","","","","","","","","","","","","","NSC635318","","CC1=NN=C(N1N)NN=C(C(C#N)C2=CC=C(C=C2)Cl)C(=O)C(C#N)C3=CC=C(C=C3)Cl","UMISVUAVIQYMBX-TURZUDJPSA-N","5465097",NA,"PDBC44922","635318","Present"
-"NSC635332","","","","","","","","","","","","","","","","","","","","NSC635332","","C1=CC=C(C=C1)C(C#N)C(=NNC(=O)C2=CC=CC=C2O)C(=O)C(C#N)C3=CC=CC=C3","RHYLKAKIUJIVPI-WEMUOSSPSA-N","5465098",NA,"PDBC44923","635332","Present"
-"NSC635333","","","","","","","","","","","","","","","","","","","","NSC635333","","CC1=CC2=NC3=C(C=CC(=C3N=C2C=C1C)C(=NNC(=O)C4=CC=CC=C4O)C)C(=NNC(=O)C5=CC=CC=C5O)C","MTNKZUCOJMPPED-ZIVFCYQMSA-N","5479901",NA,"PDBC44924","635333","Present"
-"NSC635335","","","","","","","","","","","","","","","","","","","","NSC635335","","C1=CC(=CC=C1C(C#N)C(=NO)C(=NO)C(C#N)C2=CC=C(C=C2)Cl)Cl","SAYXXJMIMHHQDN-QFFDILLMSA-N","135510120",NA,"PDBC44925","635335","Present"
-"NSC635341","","","","","","","","","","","","","","","","","","","","NSC635341","","C1=CC(=CC=C1C(C#N)C(=NN)C(=O)C(C#N)C2=CC=C(C=C2)Cl)Cl","WZZDCVFKWCYXCM-JJIBRWJFSA-N","5870095",NA,"PDBC44926","635341","Present"
-"NSC635402","","","","","","","","","","","","","","","","","","","","NSC635402","","C1=CC=C(C(=C1)C(=O)NN=C(C(C#N)C2=CC=C(C=C2)Cl)C(=O)C(C#N)C3=CC=C(C=C3)Cl)O","NSESCDYZPCIYJX-JJKYIXSRSA-N","5465099",NA,"PDBC44927","635402","Present"
-"NSC635414","","","","","","","","","","","","","","","","","","","","NSC635414","","CC1=NN=C(N1N)NN=C(C(C#N)C2=CC=CC=C2)C(=O)C(C#N)C3=CC=CC=C3","OROQZDLZGXKLEF-LGUFXXKBSA-N","5465100",NA,"PDBC44928","635414","Present"
-"NSC635420","","","","","","","","","","","","","","","","","","","","NSC635420","","CC1C(=C(N=C(C1=C(C)NNC(=O)C2=CC=CC=C2O)C)C)C(=NNC(=O)C3=CC=CC=C3O)C","MTVLBEWRQNKOLU-NEYZOSMHSA-N","9570047",NA,"PDBC44929","635420","Present"
-"NSC635439","","","","","","","","","","","","","","","","","","","","NSC635439","","C1=CC(=CC=C1C(C#N)C(=NNC(=S)N)C(=NNC(=S)N)C(C#N)C2=CC=C(C=C2)Cl)Cl","UXUWNIAETPUALY-HJVIKEODSA-N","6399927",NA,"PDBC44930","635439","Present"
-"NSC635445","","","","","","","","","","","","","","","","","","","","NSC635445","","C1=CC=C(C=C1)C(C#N)C(=NNC2=NC(=S)NN2N)C(=O)C(C#N)C3=CC=CC=C3","GQWCRHUVCJUWCU-KOEQRZSOSA-N","5465101",NA,"PDBC44931","635445","Present"
-"NSC635447","","","","","","","","","","","","","","","","","","","","NSC635447","","","","",NA,"PDBC44932","635447","Present"
-"NSC635456","","","","","","","","","","","","","","","","","","","","NSC635456","","C1C(C(C(C1N2C=CC(=NC2=O)N)O)O)CO","UAZJPMMKWBPACD-UHFFFAOYSA-N","366734",NA,"PDBC44933","635456","Present"
-"NSC635529","","","","","","","","","","","","","","","","","","","","NSC635529","","C1=CC=C2C(=C1)NC(=O)C(=C(C(=O)NC3=C(C=C(C=C3)Cl)Cl)Cl)S2","GVEAUJUYJNAZHM-YPKPFQOOSA-N","5388383",NA,"PDBC44934","635529","Present"
-"NSC635531","","","","","","","","","","","","","","","","","","","","NSC635531","","CC(C)C1=CC=CC=C1NC(=O)C(=C2C(=O)NC3=CC=CC=C3S2)Cl","UJCGRLYBRZEXSH-MSUUIHNZSA-N","5388384",NA,"PDBC44935","635531","Present"
-"NSC635537","","","","","","","","","","","","","","","","","","","","NSC635537","","CC1=CC2=C(C=C1C)[N+](=O)C=C(N2[O-])C(=O)CC(=NNC(=S)NN)C(=O)NC3=CC=CC(=C3)C(F)(F)F","RKELGPLRKXZWSF-FDVSRXAVSA-N","5479834",NA,"PDBC44936","635537","Present"
-"NSC635546","","","","","","","","","","","","","","","","","","","","NSC635546","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=NNC(=O)C3=CC=CC=C3O)C(=O)NC4=CC=CC=C4C(C)C","QKDASCNIGLWEOY-GIBOGKFOSA-N","5479835",NA,"PDBC44937","635546","Present"
-"NSC635552","","","","","","","","","","","","","","","","","","","","NSC635552","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=NOCCCC3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)Cl)Cl","YFRWWXADKVLGFE-NQUVTRGKSA-N","5479929",NA,"PDBC44938","635552","Present"
-"NSC635554","","","","","","","","","","","","","","","","","","","","NSC635554","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=NNC(=O)CC#N)C(=O)NC3=CC=CC=C3C(F)(F)F","MRFLFIXNYCTIQR-MNBJERMJSA-N","5479785",NA,"PDBC44939","635554","Present"
-"NSC635689","","","","","","","","","","","","","","","","","","","","NSC635689","","CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C","MQZIGYBFDRPAKN-QISQUURKSA-N","5368397",NA,"PDBC44940","635689","Present"
-"NSC635691","","","","","","","","","","","","","","","","","","","","NSC635691","","CCC1=C(C(=NC1=O)C=C2C(=C(C(=CC3=C(C(=C(N3)C=C4C(=CC)C(C(=O)N4)C)C)CCC(=O)O)N2)CCC(=O)O)C)C","NNMALANKTSRILL-UZUAPGSDSA-N","11606751",NA,"PDBC44941","635691","Present"
-"NSC635922","","","","","","","","","","","","","","","","","","","","NSC635922","","CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=CC=CN(C4=N3)C.I","ZGBKFUFOIBDFHZ-UHFFFAOYSA-N","366879",NA,"PDBC44942","635922","Present"
-"NSC635924","","","","","","","","","","","","","","","","","","","","NSC635924","","CCOC(=O)C=C1C(C2=CC=CC=C2O1)(C)O","SBRZYYWEKHKJJN-DHZHZOJOSA-N","5388415",NA,"PDBC44943","635924","Present"
-"NSC635926","","","","","","","","","","","","","","","","","","","","NSC635926","","CN(C)CC1=C(C=CC(=C1)C(=C(C#N)C2=CC=CC=C2)C3=CC=C(C=C3)O)O","KQGLCODZMVWSNL-ZNTNEXAZSA-N","5388416",NA,"PDBC44944","635926","Present"
-"NSC635927","","","","","","","","","","","","","","","","","","","","NSC635927","","COC1C2=C(C1(C3=C(C=C(C=C3)OC)OC)O)C(=C(C=C2)O)OC","LDKDGBBDRXCETJ-QZTJIDSGSA-N","6711672",NA,"PDBC44945","635927","Present"
-"NSC635928","","","","","","","","","","","","","","","","","","","","NSC635928","","COC1C2=C(C1(C3=C(C(=CC=C3)OC)OC)O)C(=C(C=C2)O)OC","PHUOAQQAHCHIFN-QZTJIDSGSA-N","6711673",NA,"PDBC44946","635928","Present"
-"NSC635932","","","","","","","","","","","","","","","","","","","","NSC635932","","C1=CSC(=C1)C(=O)C2=C(C(=C3C(=C2)C(=O)C=C(O3)C(=O)O)Cl)Cl.[Na+]","SPHTWMBMGSLUIX-UHFFFAOYSA-N","54598724",NA,"PDBC44947","635932","Present"
-"NSC635954","","","","","","","","","","","","","","","","","","","","NSC635954","","C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=C(C=C(C=C3)Cl)Cl","DFKKJKLEGKUZNZ-FLIBITNWSA-N","5388419",NA,"PDBC44948","635954","Present"
-"NSC635955","","","","","","","","","","","","","","","","","","","","NSC635955","","C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC=C(C=C3)Br","SMKOZOJSIIZLHV-RAXLEYEMSA-N","5388420",NA,"PDBC44949","635955","Present"
-"NSC635956","","","","","","","","","","","","","","","","","","","","NSC635956","","C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC=C(C=C3)F","VSYDYSJJUIIIPF-RAXLEYEMSA-N","5388421",NA,"PDBC44950","635956","Present"
-"NSC635966","","","","","","","","","","","","","","","","","","","","NSC635966","","C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC=CS3","VEBMVKFCWFEXEK-KHPPLWFESA-N","5388431",NA,"PDBC44951","635966","Present"
-"NSC635970","","","","","","","","","","","","","","","","","","","","NSC635970","","C1=NC(=C2C(=N1)N(C=N2)C(C=NNC(=S)N)OC(CO)C=NNC(=S)N)N","QAUMNRBFIINKFS-LHTUAUGQSA-N","11969918",NA,"PDBC44952","635970","Present"
-"NSC636094","","","","","","","","","","","","","","","","","","","","NSC636094","","CCOC(=O)C(=C(C(=CC1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2)O)C#N","CACCUOTYGLYOLP-VZZSTEPBSA-N","54679379",NA,"PDBC44953","636094","Present"
-"NSC636096","","","","","","","","","","","","","","","","","","","","NSC636096","","CCOC(=O)C(=C(C(=CC1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2)O)C#N","SNAJJOCSGOXFJZ-LFQOXGNUSA-N","54679380",NA,"PDBC44954","636096","Present"
-"NSC636099","","","","","","","","","","","","","","","","","","","","NSC636099","","C1C2CC3CC1CC(C2)C3NC(=O)C(=C4C(=O)NC5=CC=CC=C5S4)Cl","VSRUGCAIVWHLGG-VLGSPTGOSA-N","5388437",NA,"PDBC44955","636099","Present"
-"NSC636124","","","","","","","","","","","","","","","","","","","","NSC636124","","COC1=CC=CC(=C1O)C=C2C(=O)OC(=N2)Cl","DXKPCTNYZIXTET-ALCCZGGFSA-N","5388442",NA,"PDBC44956","636124","Present"
-"NSC636140","","","","","","","","","","","","","","","","","","","","NSC636140","","CC1=C(C=C(C=C1)NC(=O)C2C(=NO)C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)C","LKAMYLCSGPMDKS-PTGBLXJZSA-N","6399320",NA,"PDBC44957","636140","Present"
-"NSC636153","","","","","","","","","","","","","","","","","","","","NSC636153","","C#CCN(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=O","HYLVZGGUGPQKBU-UHFFFAOYSA-N","366983",NA,"PDBC44958","636153","Present"
-"NSC636333","","","","","","","","","","","","","","","","","","","","NSC636333","","C1=CC(=C(C(=C1)Cl)OC2=C(C(=O)OC2O)Cl)Cl.Cl","GYLRZQLFOKNSEB-UHFFFAOYSA-N","367005",NA,"PDBC44959","636333","Present"
-"NSC636336","","","","","","","","","","","","","","","","","","","","NSC636336","","C1=CC(=CC=C1NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","POHYPWCIOBZDHW-UHFFFAOYSA-N","367009",NA,"PDBC44960","636336","Present"
-"NSC636358","","","","","","","","","","","","","","","","","","","","NSC636358","","COC(=O)C(=C1CCC2=CC=CC=C21)C#N","ODQZYGFFVQHIMJ-VAWYXSNFSA-N","5388446",NA,"PDBC44961","636358","Present"
-"NSC636373","","","","","","","","","","","","","","","","","","","","NSC636373","","C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C=C2C(NC3=C(N2)C=CC(=C3)[N+](=O)[O-])O","KMUNZQOCLSFPQQ-RIYZIHGNSA-N","5388448",NA,"PDBC44962","636373","Present"
-"NSC636433","","","","","","","","","","","","","","","","","","","","NSC636433","","C1=CC=C(C=C1)C(=CC2=CC(=CC=C2)C#N)C(=O)C3=CC=CC=C3","MXHROFBPTBYFLW-RCCKNPSSSA-N","5388482",NA,"PDBC44963","636433","Present"
-"NSC636434","","","","","","","","","","","","","","","","","","","","NSC636434","","C1=CC=C(C=C1)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3","OBOJHUWHVNHVFZ-HMMYKYKNSA-N","5388483",NA,"PDBC44964","636434","Present"
-"NSC636435","","","","","","","","","","","","","","","","","","","","NSC636435","","CCOC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2","UUMNFCINEMNNGB-FOWTUZBSSA-N","5388484",NA,"PDBC44965","636435","Present"
-"NSC636436","","","","","","","","","","","","","","","","","","","","NSC636436","","C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3","JTRQEDPFEOMATD-HMMYKYKNSA-N","5388485",NA,"PDBC44966","636436","Present"
-"NSC636502","","","","","","","","","","","","","","","","","","","","NSC636502","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=C(C=C8)Cl)C(=O)N(C6=O)C9=CC=C(C=C9)Cl","FMCKIWAHGNISGE-LKJQOOIXSA-N","367115",NA,"PDBC44967","636502","Present"
-"NSC636503","","","","","","","","","","","","","","","","","","","","NSC636503","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=C(C=C8)Br)C(=O)N(C6=O)C9=CC=C(C=C9)Br","NWXKQGFDMYLZCU-LKJQOOIXSA-N","367116",NA,"PDBC44968","636503","Present"
-"NSC636504","","","","","","","","","","","","","","","","","","","","NSC636504","","COC1=CC=CC(=C1)N2C(=O)C3C4C=C5C6=CC=CC=C6N(C5(C3C2=O)C7C4C(=O)N(C7=O)C8=CC(=CC=C8)OC)C9=CC=CC=C9","RJGUIYSBPXYDKL-XTIUPARGSA-N","367117",NA,"PDBC44969","636504","Present"
-"NSC636505","","","","","","","","","","","","","","","","","","","","NSC636505","","CN1C(=O)C2C3C=C4C5=CC=CC=C5N(C4(C2C1=O)C6C3C(=O)N(C6=O)C)C7=CC=CC=C7","ZCADSLFEKHCKLE-XLXKIOCZSA-N","367118",NA,"PDBC44970","636505","Present"
-"NSC636507","","","","","","","","","","","","","","","","","","","","NSC636507","","CC1=C2C(=CC=C1)CC(N2C(=O)C=CC(=O)O)C3=C(NC4=CC=CC=C43)C","DTNZRPUSXRQORW-KHPPLWFESA-N","5388494",NA,"PDBC44971","636507","Present"
-"NSC636598","","","","","","","","","","","","","","","","","","","","NSC636598","","","","",NA,"PDBC44972","636598","Present"
-"NSC636677","","","","","","","","","","","","","","","","","","","","NSC636677","","C[N+]1(CC(=CC2=CC=C(C=C2)O)C(=O)C(=CC3=CC=C(C=C3)O)C1)C.[I-]","DDKVAMNBVMNGKI-UHFFFAOYSA-N","24202291",NA,"PDBC44973","636677","Present"
-"NSC636679","","","","","","","","","","","","","","","","","","","","NSC636679","","C[N+]1(CC(=CC=CC2=CC=CC=C2)C(=O)C(=CC=CC3=CC=CC=C3)C1)C.[I-]","NYHMWZQHLDWHCC-LRAPVWKRSA-M","24202292",NA,"PDBC44974","636679","Present"
-"NSC636682","","","","","","","","","","","","","","","","","","","","NSC636682","","C1CC(=CC2=CC3=C(C=C2)OCCO3)C(=O)C(=CC4=CC5=C(C=C4)OCCO5)C1","ULFBIHLWIVBRDI-KLCVKJMQSA-N","5911015",NA,"PDBC44975","636682","Present"
-"NSC636718","","","","","","","","","","","","","","","","","","","","NSC636718","","COC1=CC=CC(=C1)C=C2CCC3=CC=CC=C3C2=O","BFLYDBJQMZPJGI-RVDMUPIBSA-N","1549210",NA,"PDBC44976","636718","Present"
-"NSC636792","","","","","","","","","","","","","","","","","","","","NSC636792","","CN(C)C1=CC=C(C=C1)C=C(C2=NC3=C(N2)C=C(C=C3)Cl)NC(=O)C4=CC=CC=C4","QIURFMPQSWEFHB-HYARGMPZSA-N","6139722",NA,"PDBC44977","636792","Present"
-"NSC636798","","","","","","","","","","","","","","","","","","","","NSC636798","","CCOC=C1COC(N1)(C=C)C2=CC=CC=C2Cl","ZASZRIRZCRMUMT-PKNBQFBNSA-N","5937100",NA,"PDBC44978","636798","Present"
-"NSC636801","","","","","","","","","","","","","","","","","","","","NSC636801","","C1=CC(=CC=C1C(=O)C=CC(=O)O)Cl","VQVQEUFKSRHRCT-WAYWQWQTSA-N","5388534",NA,"PDBC44979","636801","Present"
-"NSC636853","","","","","","","","","","","","","","","","","","","","NSC636853","","","","",NA,"PDBC44980","636853","Present"
-"NSC636861","","","","","","","","","","","","","","","","","","","","NSC636861","","C1=CC=C2C(=C1)C3=C(N2)N4C=CSC4=N3.Cl","SUWQCHXAOICOPE-UHFFFAOYSA-N","367302",NA,"PDBC44981","636861","Present"
-"NSC636982","","","","","","","","","","","","","","","","","","","","NSC636982","","C1=CC(=CC=C1OC2=C(C(=O)OC2O)Cl)Cl.Cl","QWFFPSKXYSEJTA-UHFFFAOYSA-N","367347",NA,"PDBC44982","636982","Present"
-"NSC636983","","","","","","","","","","","","","","","","","","","","NSC636983","","C1=CC(=CC=C1C(=O)O)NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O","DEEHAUJTGQGDTL-UHFFFAOYSA-N","367349",NA,"PDBC44983","636983","Present"
-"NSC636994","","","","","","","","","","","","","","","","","","","","NSC636994","","C1=CC=C(C=C1)C=CC(=O)NC2C=NC3=C(C=C(C=C3)Cl)NC2=O","LICPWLGCNWVBNL-RMKNXTFCSA-N","5917021",NA,"PDBC44984","636994","Present"
-"NSC637033","","","","","","","","","","","","","","","","","","","","NSC637033","","C1=CC=C2C(=C1)C(C(C(N2)C#N)O)O","OBJPMGDLUHXDBS-MGRQHWMJSA-N","367372",NA,"PDBC44985","637033","Present"
-"NSC637034","","","","","","","","","","","","","","","","","","","","NSC637034","","C1=CC=C2C(=C1)C(C(C(N2)C#N)O)O","OBJPMGDLUHXDBS-HWOCKDDLSA-N","367373",NA,"PDBC44986","637034","Present"
-"NSC637035","","","","","","","","","","","","","","","","","","","","NSC637035","","C1=CC=C2C(=C1)C(C(C(N2)CN)O)O","MAHRZOLSQHXKSH-HWOCKDDLSA-N","367374",NA,"PDBC44987","637035","Present"
-"NSC637036","","","","","","","","","","","","","","","","","","","","NSC637036","","C1=CC=C2C(=C1)C(C(C(N2)CN)O)O","MAHRZOLSQHXKSH-MGRQHWMJSA-N","367375",NA,"PDBC44988","637036","Present"
-"NSC637124","","","","","","","","","","","","","","","","","","","","NSC637124","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","UHRVFRNRRYAFOQ-UHFFFAOYSA-N","367397",NA,"PDBC44989","637124","Present"
-"NSC637185","","","","","","","","","","","","","","","","","","","","NSC637185","","C1=CC(=CC=C1C=CC(=O)C(=O)O)Cl","RVSPZCGKZYTJOA-UTCJRWHESA-N","5388589",NA,"PDBC44990","637185","Present"
-"NSC637187","","","","","","","","","","","","","","","","","","","","NSC637187","","CC1=NOC(=O)C1=CC2=CC=C(C=C2)[N+](=O)[O-]","BLHMUVYAYXTPCU-UXBLZVDNSA-N","5388591",NA,"PDBC44991","637187","Present"
-"NSC637188","","","","","","","","","","","","","","","","","","","","NSC637188","","CC1=NOC(=O)C1=CC2=CC=CC=C2O","WAOBRDOLWISCRM-RMKNXTFCSA-N","135510127",NA,"PDBC44992","637188","Present"
-"NSC637201","","","","","","","","","","","","","","","","","","","","NSC637201","","CC(=O)NC(=CC1=CC=C(C=C1)CC2=NC3=C(N2)C(=O)C4=CC=CC=C4C3=O)C5=NC6=C(N5)C(=O)C7=CC=CC=C7C6=O","NJKTYQPOGPZXFS-UCQKPKSFSA-N","5388595",NA,"PDBC44993","637201","Present"
-"NSC637289","","","","","","","","","","","","","","","","","","","","NSC637289","","CCOC(=O)C(=CC1=CC=CC(=C1)C)C(=O)C","ZUQVRBVENDAGKD-LCYFTJDESA-N","5388609",NA,"PDBC44994","637289","Present"
-"NSC637291","","","","","","","","","","","","","","","","","","","","NSC637291","","CCOC(=O)C(=CC1=CC=C(C=C1)F)C(=O)C","OKJCUOXQWLRDKY-WQLSENKSSA-N","5388610",NA,"PDBC44995","637291","Present"
-"NSC637309","","","","","","","","","","","","","","","","","","","","NSC637309","","CCOC(=O)C(=CC1=CC=C(C=C1)C#N)C(=O)C","QBLGRAAPADHBOW-JYRVWZFOSA-N","5388617",NA,"PDBC44996","637309","Present"
-"NSC637405","","","","","","","","","","","","","","","","","","","","NSC637405","","CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NC3=CC(=C(C=C3)Cl)Cl.Cl","IIFHGMUTYJTXMU-UHFFFAOYSA-N","367571",NA,"PDBC44997","637405","Present"
-"NSC637437","","","","","","","","","","","","","","","","","","","","NSC637437","","CCOC(=O)C1=C(OCC1=NNS(=O)(=O)C2=CC=C(C=C2)C)NC3=CC(=C(C=C3)Cl)Cl","OGDQJXNXYWTZNC-JJIBRWJFSA-N","135510128",NA,"PDBC44998","637437","Present"
-"NSC637439","","","","","","","","","","","","","","","","","","","","NSC637439","","CCOC1=CC=CC=C1NC(=O)C=C2NC(=O)CS2","LRIDALASTMKSFZ-NTUHNPAUSA-N","5388655",NA,"PDBC44999","637439","Present"
-"NSC637443","","","","","","","","","","","","","","","","","","","","NSC637443","","CCOC(=O)C1=C(OCC1=NNC(=O)C2=CC=CC=C2O)NC","AEOCSCCUYYINLU-LICLKQGHSA-N","135510129",NA,"PDBC45000","637443","Present"
-"NSC637444","","","","","","","","","","","","","","","","","","","","NSC637444","","CCOC(=O)C1=C(OCC1=NNC(=O)CC2=CC=CC=C2)NC3=CC=CC=C3","KIGJRDRBHQFHRV-HAVVHWLPSA-N","135510130",NA,"PDBC45001","637444","Present"
-"NSC637527","","","","","","","","","","","","","","","","","","","","NSC637527","","CN(C)C=NC1=CC=NC(=O)N1.[Na+]","PDCUMRCEZLVPBY-UYTGOYFPSA-N","54608736",NA,"PDBC45002","637527","Present"
-"NSC637528","","","","","","","","","","","","","","","","","","","","NSC637528","","C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N=CN3C4C(C(C(O4)CO)O)O","WZKJANWNNBJHRS-UHFFFAOYSA-N","135399363",NA,"PDBC45003","637528","Present"
-"NSC637531","","","","","","","","","","","","","","","","","","","","NSC637531","","C1=[N+](C2=C(N1CCO)C(=NC(=N2)N)[O-])C3C(C(C(O3)CO)O)O","YPMRJQYICZGMGV-UHFFFAOYSA-N","24202294",NA,"PDBC45004","637531","Present"
-"NSC637540","","","","","","","","","","","","","","","","","","","","NSC637540","","CCC(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COC(=O)CC)OC(=O)CC)OC(=O)CC","SQABWJHXQJNZQR-UHFFFAOYSA-N","135503475",NA,"PDBC45005","637540","Present"
-"NSC637597","","","","","","","","","","","","","","","","","","","","NSC637597","","CC1=CC=CC=C1NC(=O)C(CC(C(=NNC(=O)C(=O)N)C)C(=O)NC2=CC=CC=C2C)C(=NNC(=O)C(=O)N)C","IINKYIHLRMWCIR-LLYQNFBTSA-N","5479930",NA,"PDBC45006","637597","Present"
-"NSC637611","","","","","","","","","","","","","","","","","","","","NSC637611","","CC1=CC=CC=C1NC(=O)C(CC(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)NC3=CC=CC=C3C)C(=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C","PQEXMAVAXNHBGZ-RFSISCEKSA-N","5917500",NA,"PDBC45007","637611","Present"
-"NSC637629","","","","","","","","","","","","","","","","","","","","NSC637629","","CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(CC(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)NCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4","XELMHOCIZLVHIW-RFSISCEKSA-N","6277410",NA,"PDBC45008","637629","Present"
-"NSC637649","","","","","","","","","","","","","","","","","","","","NSC637649","","C1C2C(CN(C2COC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OC1=O","ZKFVANLSBTUPBA-KGNCLDLBSA-N","6711691",NA,"PDBC45009","637649","Present"
-"NSC637660","","","","","","","","","","","","","","","","","","","","NSC637660","","CSC1=NC(=NC(=[N+]2CCOCC2)S1)C3=CC=CC=C3.[I-]","UYXBDMLNPZJQML-UHFFFAOYSA-M","24202295",NA,"PDBC45010","637660","Present"
-"NSC637689","","","","","","","","","","","","","","","","","","","","NSC637689","","CCOC(=O)C1=C(OCC1=NNC(=O)CC2=CC=CC=C2)NC(C)(C)C","NMNOLMVTRYIUAO-KGENOOAVSA-N","135510133",NA,"PDBC45011","637689","Present"
-"NSC637690","","","","","","","","","","","","","","","","","","","","NSC637690","","CCOC(=O)C1=C(OCC1=NNS(=O)(=O)C2=CC=C(C=C2)C)NC3=C(C=C(C=C3)Cl)Cl","KSRKEKMARNDCMG-JJIBRWJFSA-N","135510134",NA,"PDBC45012","637690","Present"
-"NSC637800","","","","","","","","","","","","","","","","","","","","NSC637800","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Zr+4]","MHYHDGKGCVXGKM-UHFFFAOYSA-J","54611336",NA,"PDBC45013","637800","Present"
-"NSC637803","","","","","","","","","","","","","","","","","","","","NSC637803","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Ti+4]","QPWATJPPNRXQHA-UHFFFAOYSA-J","54608551",NA,"PDBC45014","637803","Present"
-"NSC637818","","","","","","","","","","","","","","","","","","","","NSC637818","","CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1SC3=CN=C4C=C(C=CC4=C3NC(C)CCCN(CC)CC)Cl)Cl.Cl","RSBSRNSPXDICNM-UHFFFAOYSA-N","367799",NA,"PDBC45015","637818","Present"
-"NSC637823","","","","","","","","","","","","","","","","","","","","NSC637823","","","","",NA,"PDBC45016","637823","Present"
-"NSC637824","","","","","","","","","","","","","","","","","","","","NSC637824","","","","",NA,"PDBC45017","637824","Present"
-"NSC637825","","","","","","","","","","","","","","","","","","","","NSC637825","","","","",NA,"PDBC45018","637825","Present"
-"NSC637829","","","","","","","","","","","","","","","","","","","","NSC637829","","C1COCCN1CC2CC(OC2=O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl","WTWJTYIBGUOMFD-UHFFFAOYSA-N","367803",NA,"PDBC45019","637829","Present"
-"NSC637894","","","","","","","","","","","","","","","","","","","","NSC637894","","CCN(CC)C(=NC1=NOC(=C1)C)CC(=O)OCC.OCl(=O)(=O)=O","BHHHLQQVJDAAQZ-UHFFFAOYSA-N","21144954",NA,"PDBC45020","637894","Present"
-"NSC637896","","","","","","","","","","","","","","","","","","","","NSC637896","","CCN(CC)C1=C(C(=O)N=C2N1C=CC=C2)NC(=O)C(=O)OCC.Cl","RMDOPHLOWIUTTG-UHFFFAOYSA-N","367820",NA,"PDBC45021","637896","Present"
-"NSC637917","","","","","","","","","","","","","","","","","","","","NSC637917","","C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=CC4=CC=C(C=C4)N(CCC#N)CCC#N)C(=O)O3","ZUGCHGMIXIPYQE-QNGOZBTKSA-N","6277001",NA,"PDBC45022","637917","Present"
-"NSC638024","","","","","","","","","","","","","","","","","","","","NSC638024","","CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","RXVANWAGBRZRSN-UHFFFAOYSA-N","367859",NA,"PDBC45023","638024","Present"
-"NSC638051","","","","","","","","","","","","","","","","","","","","NSC638051","","C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)C4=CC=C(C=C4)Cl","KMHBRMILGHYRBX-MTJSOVHGSA-N","5434464",NA,"PDBC45024","638051","Present"
-"NSC638130","","","","","","","","","","","","","","","","","","","","NSC638130","","COC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","UXSFHFOZLWFQEN-UHFFFAOYSA-N","367931",NA,"PDBC45025","638130","Present"
-"NSC638224","","","","","","","","","","","","","","","","","","","","NSC638224","","C1=CC(=CC=C1C=C(C(=O)NN)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N(CCC#N)CCC#N","SJMPXWFROLDCEV-DEDYPNTBSA-N","5930432",NA,"PDBC45026","638224","Present"
-"NSC638265","","","","","","","","","","","","","","","","","","","","NSC638265","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.[OH3+].[Ni+2]","ROPGKFYPGBRTIM-UHFFFAOYSA-M","24202301",NA,"PDBC45027","638265","Present"
-"NSC638268","","","","","","","","","","","","","","","","","","","","NSC638268","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.[OH3+].[Pd+2]","QVZYVRNNYJMIBN-UHFFFAOYSA-M","24202304",NA,"PDBC45028","638268","Present"
-"NSC638269","","","","","","","","","","","","","","","","","","","","NSC638269","","","","",NA,"PDBC45029","638269","Present"
-"NSC638282","","","","","","","","","","","","","","","","","","","","NSC638282","","","","",NA,"PDBC45030","638282","Present"
-"NSC638289","","","","","","","","","","","","","","","","","","","","NSC638289","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC=NC=C1.[OH3+].[Co+2]","LYAQUJKVWWMUTQ-UHFFFAOYSA-M","24202306",NA,"PDBC45031","638289","Present"
-"NSC638297","","","","","","","","","","","","","","","","","","","","NSC638297","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC=NC(=C1)C2=CC=CC=N2.[OH3+].[Ni+2]","AXAVNXFQZJYYIA-UHFFFAOYSA-M","24202307",NA,"PDBC45032","638297","Present"
-"NSC638299","","","","","","","","","","","","","","","","","","","","NSC638299","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[OH3+].[Ni+2]","MEJRFJFGQWUFQF-UHFFFAOYSA-M","24202308",NA,"PDBC45033","638299","Present"
-"NSC638301","","","","","","","","","","","","","","","","","","","","NSC638301","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC=NC(=C1)C2=CC=CC=N2.[OH3+].[Cu+2]","OEOLQPJSSTUCPD-UHFFFAOYSA-M","24202309",NA,"PDBC45034","638301","Present"
-"NSC638303","","","","","","","","","","","","","","","","","","","","NSC638303","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[OH3+].[Cu+2]","GHMNFZSOIYHZNI-UHFFFAOYSA-M","24202310",NA,"PDBC45035","638303","Present"
-"NSC638308","","","","","","","","","","","","","","","","","","","","NSC638308","","","","",NA,"PDBC45036","638308","Present"
-"NSC638309","","","","","","","","","","","","","","","","","","","","NSC638309","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)C2=CC=NC=C2.[OH3+].[Mn+2]","RBHGIOGQLJWOPT-UHFFFAOYSA-M","24202311",NA,"PDBC45037","638309","Present"
-"NSC638311","","","","","","","","","","","","","","","","","","","","NSC638311","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)C2=CC=NC=C2.[OH3+].[Ni+2]","ITKBIIYMLVONBJ-UHFFFAOYSA-M","24202313",NA,"PDBC45038","638311","Present"
-"NSC638312","","","","","","","","","","","","","","","","","","","","NSC638312","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)C2=CC=NC=C2.[OH3+].[Cu+2]","LBYHDSXWFFBAQK-UHFFFAOYSA-M","24202314",NA,"PDBC45039","638312","Present"
-"NSC638315","","","","","","","","","","","","","","","","","","","","NSC638315","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)C2=CC=NC=C2.COC1=CC=CC(=C1[O-])C=N[N-]C(=O)C2=CC=NC=C2.[OH2+][U](=O)(=O)[OH2+]","AHBFVWNISPGOAG-UHFFFAOYSA-J","24202317",NA,"PDBC45040","638315","Present"
-"NSC638389","","","","","","","","","","","","","","","","","","","","NSC638389","","","","",NA,"PDBC45041","638389","Present"
-"NSC638395","","","","","","","","","","","","","","","","","","","","NSC638395","","COC1=CC(=CC(=C1OC)OC)C=CC2=CC=NC=C2","NGJDPYNEVBRZTO-SNAWJCMRSA-N","5388744",NA,"PDBC45042","638395","Present"
-"NSC638396","","","","","","","","","","","","","","","","","","","","NSC638396","","COC1=CC(=CC(=C1OC)OC)C=CC2=CN=CC=C2","XTJNJMOYKKLUOV-VOTSOKGWSA-N","5388745",NA,"PDBC45043","638396","Present"
-"NSC638433","","","","","","","","","","","","","","","","","","","","NSC638433","","CN(C)CCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4.Cl","HPAWLQZFFPENFO-UHFFFAOYSA-N","368092",NA,"PDBC45044","638433","Present"
-"NSC638434","","","","","","","","","","","","","","","","","","","","NSC638434","","C1CCN(CC1)CCN2C3=C(C=CC4=CC=CC=C43)C5=C2C6=CC=CC=C6C(=O)O5.Cl","SAAFHIWBLQSEIH-UHFFFAOYSA-N","368094",NA,"PDBC45045","638434","Present"
-"NSC638435","","","","","","","","","","","","","","","","","","","","NSC638435","","C1CCN(CC1)CCCN2C3=C(C=CC4=CC=CC=C43)C5=C2C6=CC=CC=C6C(=O)O5.Cl","RUNWCPZBZSDWEG-UHFFFAOYSA-N","368096",NA,"PDBC45046","638435","Present"
-"NSC638436","","","","","","","","","","","","","","","","","","","","NSC638436","","C1COCCN1CCN2C3=C(C=CC4=CC=CC=C43)C5=C2C6=CC=CC=C6C(=O)O5.Cl","IGJPSZACNWZHID-UHFFFAOYSA-N","368098",NA,"PDBC45047","638436","Present"
-"NSC638437","","","","","","","","","","","","","","","","","","","","NSC638437","","CCN(CC)CCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4.Cl","WNJMQYXNEAPOTM-UHFFFAOYSA-N","368100",NA,"PDBC45048","638437","Present"
-"NSC638438","","","","","","","","","","","","","","","","","","","","NSC638438","","CC(C)N(CCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4)C(C)C.Cl","YHDLVJLUTOPOIF-UHFFFAOYSA-N","368102",NA,"PDBC45049","638438","Present"
-"NSC638441","","","","","","","","","","","","","","","","","","","","NSC638441","","C1=CC=C2C(=C1)C=CC3=C2N(C4=C3OC(=O)C5=CC=CC=C54)CC6=NC7=CC=CC=C7N6.Cl","AKAWASDCKIOXPQ-UHFFFAOYSA-N","368107",NA,"PDBC45050","638441","Present"
-"NSC638465","","","","","","","","","","","","","","","","","","","","NSC638465","","CCOC(=O)C1=C(OC(=C1)C=CC(=CC(=O)OC)C)C2=CC=CC=C2","KZYPTCODBKPILP-CYZWUHAYSA-N","5388760",NA,"PDBC45051","638465","Present"
-"NSC638466","","","","","","","","","","","","","","","","","","","","NSC638466","","CC1=C(N(C(=C1C#C)C)C)C=CC(=CC(=O)OC)C","YGVJESTZPPQQAN-BNFZFUHLSA-N","5388761",NA,"PDBC45052","638466","Present"
-"NSC638467","","","","","","","","","","","","","","","","","","","","NSC638467","","CC1=C(N(C(=C1C(=O)C)C)C)C=CC(=CC(=O)OC)C","HVMLDYJZKASNRO-XBLVEGMJSA-N","5388762",NA,"PDBC45053","638467","Present"
-"NSC638532","","","","","","","","","","","","","","","","","","","","NSC638532","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC(C)C","RAVQXTOXTZWMKS-UHFFFAOYSA-N","3000903",NA,"PDBC45054","638532","Present"
-"NSC638534","","","","","","","","","","","","","","","","","","","","NSC638534","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC3CC3","JFOJNMXPPYADJW-UHFFFAOYSA-N","3000930",NA,"PDBC45055","638534","Present"
-"NSC638637","","","","","","","","","","","","","","","","","","","","NSC638637","","CN(C)CC1CCCC1=NOC(=O)C2=CC=CC=C2.Cl","RFQKRDNBKOBKGG-ULQCMBKMSA-N","9570068",NA,"PDBC45056","638637","Present"
-"NSC638638","","","","","","","","","","","","","","","","","","","","NSC638638","","C1CCC(=NOC(=O)NC2=CC=CC=C2)C(=CC3=CC=CC=C3)C1","LKOSOOKZYUARPW-WIGISAIBSA-N","6375376",NA,"PDBC45057","638638","Present"
-"NSC638645","","","","","","","","","","","","","","","","","","","","NSC638645","","CN(C)CCC(=O)N1CC(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)C1.Cl","VPXSVNBQDBEVRT-MQMNHWTGSA-N","5388808",NA,"PDBC45058","638645","Present"
-"NSC638646","","","","","","","","","","","","","","","","","","","","NSC638646","","C1COCCN1CCC(=O)N2CC(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)C(=CC4=CC(=C(C=C4)Cl)Cl)C2.Cl","CYXNWGGLZBUIJH-BYCVLTJGSA-N","5388810",NA,"PDBC45059","638646","Present"
-"NSC638792","","","","","","","","","","","","","","","","","","","","NSC638792","","","","",NA,"PDBC45060","638792","Present"
-"NSC638856","","","","","","","","","","","","","","","","","","","","NSC638856","","CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)N(CCCl)N=O)O)O","LZOYLDLXSNCBFB-UHFFFAOYSA-N","368308",NA,"PDBC45061","638856","Present"
-"NSC639015","","","","","","","","","","","","","","","","","","","","NSC639015","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCCN(CCCN)CCCN)CNCCCN(CCCN)CCCN.Cl","JJZTZMJNJRXRAP-UHFFFAOYSA-N","368316",NA,"PDBC45062","639015","Present"
-"NSC639016","","","","","","","","","","","","","","","","","","","","NSC639016","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCN)CNCCN.Cl","DWJZWJHOTGKCLR-UHFFFAOYSA-N","368318",NA,"PDBC45063","639016","Present"
-"NSC639017","","","","","","","","","","","","","","","","","","","","NSC639017","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCCN)CNCCCN.Cl","GRXAHUDNQJJPNE-UHFFFAOYSA-N","368320",NA,"PDBC45064","639017","Present"
-"NSC639018","","","","","","","","","","","","","","","","","","","","NSC639018","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCNCCN)CNCCNCCN.Cl","MUZFUVBMILSCMK-UHFFFAOYSA-N","368322",NA,"PDBC45065","639018","Present"
-"NSC639092","","","","","","","","","","","","","","","","","","","","NSC639092","","C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.[Co+2]","PPPNIARVRINBAR-UHFFFAOYSA-L","24202330",NA,"PDBC45066","639092","Present"
-"NSC639093","","","","","","","","","","","","","","","","","","","","NSC639093","","C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.[Cu+2]","PEBHLBDEYSOGSX-UHFFFAOYSA-L","24202331",NA,"PDBC45067","639093","Present"
-"NSC639207","","","","","","","","","","","","","","","","","","","","NSC639207","","CN(C)CCCNC1=CC=NC2=C(C=CC(=C12)[N+](=O)[O-])OC.Cl","FBAVKCRCBQJJGY-UHFFFAOYSA-N","368346",NA,"PDBC45068","639207","Present"
-"NSC639209","","","","","","","","","","","","","","","","","","","","NSC639209","","CN1C=C(N=C1C(=O)NCCN(C)C)[N+](=O)[O-].Cl","YZROCHJXKOJLHS-UHFFFAOYSA-N","368350",NA,"PDBC45069","639209","Present"
-"NSC639211","","","","","","","","","","","","","","","","","","","","NSC639211","","CC1=C(C2=C(C=CC(=C2N=C1C)OC)[N+](=O)[O-])NCCCN(C)C.Cl","MQLAMHFAFPFGPS-UHFFFAOYSA-N","368352",NA,"PDBC45070","639211","Present"
-"NSC639212","","","","","","","","","","","","","","","","","","","","NSC639212","","CN(C)CCCNC1=C2C(=C(C=C(C2=NC=C1)OC)OC)[N+](=O)[O-].Cl","PMBYZWJSGXECLY-UHFFFAOYSA-N","368354",NA,"PDBC45071","639212","Present"
-"NSC639222","","","","","","","","","","","","","","","","","","","","NSC639222","","","","",NA,"PDBC45072","639222","Present"
-"NSC639223","","","","","","","","","","","","","","","","","","","","NSC639223","","","","",NA,"PDBC45073","639223","Present"
-"NSC639349","","","","","","","","","","","","","","","","","","","","NSC639349","","COC1=C(C=C(C(=C1)C[S+]2CCCC2)SC)C[S+]3CCCC3.[Cl-]","QAMWIGNFSLHJEH-UHFFFAOYSA-M","24202335",NA,"PDBC45074","639349","Present"
-"NSC639381","","","","","","","","","","","","","","","","","","","","NSC639381","","C1=CC=C2C(=C1)C3=C(N2)N4C=CC=CC4=N3.Cl","HFGXTYWEKVRITD-UHFFFAOYSA-N","368391",NA,"PDBC45075","639381","Present"
-"NSC639511","","","","","","","","","","","","","","","","","","","","NSC639511","","CN(C)CC1CCC(=CC2=CC=C(C=C2)OC)C1=O.Cl","ITZMZWGTPDFLEN-RSGUCCNWSA-N","21141935",NA,"PDBC45076","639511","Present"
-"NSC639521","","","","","","","","","","","","","","","","","","","","NSC639521","","CN(C)CC1(CCC(=CC2=CC=CC=C2OC)C1=O)CC3=CC=CC=C3.Cl","OCMFWRVISPZPQB-QMGGKDRNSA-N","6516829",NA,"PDBC45077","639521","Present"
-"NSC639523","","","","","","","","","","","","","","","","","","","","NSC639523","","CN(C)CC1(CCC(=CC2=CC=C(C=C2)OC)C1=O)CC3=CC=CC=C3.Cl","ABIQSCZWUVVKQE-QMGGKDRNSA-N","6516833",NA,"PDBC45078","639523","Present"
-"NSC639645","","","","","","","","","","","","","","","","","","","","NSC639645","","CC1C(C(CC(O1)CC2C=CCC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)NC(=O)C(F)(F)F)O","ACGSOVGSCAVABR-UHFFFAOYSA-N","368566",NA,"PDBC45079","639645","Present"
-"NSC639667","","","","","","","","","","","","","","","","","","","","NSC639667","","C1=CC=C2C(=C1)C(=O)N(C2=O)N=CC3=CC=C(C=C3)C#N","REDPFJVLTSDICA-ZDLGFXPLSA-N","5406211",NA,"PDBC45080","639667","Present"
-"NSC639669","","","","","","","","","","","","","","","","","","","","NSC639669","","C1=CC=C2C(=C1)C(=O)N(C2=O)N=CC3=CC=C(C=C3)Br","DQFSZGUXLGKJAO-MFOYZWKCSA-N","5539125",NA,"PDBC45081","639669","Present"
-"NSC639670","","","","","","","","","","","","","","","","","","","","NSC639670","","CN(C)C1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3C2=O","RVPQHWSMWINUKC-WQRHYEAKSA-N","5399061",NA,"PDBC45082","639670","Present"
-"NSC639671","","","","","","","","","","","","","","","","","","","","NSC639671","","CC(=O)NC1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3C2=O","ILCRETRYCYBSOE-ZDLGFXPLSA-N","5539126",NA,"PDBC45083","639671","Present"
-"NSC639672","","","","","","","","","","","","","","","","","","","","NSC639672","","CCOC1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3C2=O","YWFALNDSTQGAOF-WQRHYEAKSA-N","5407530",NA,"PDBC45084","639672","Present"
-"NSC639674","","","","","","","","","","","","","","","","","","","","NSC639674","","COC1=C(C(=CC=C1)OC)C=NN2C(=O)C3=CC=CC=C3C2=O","BWCUFLBFNPNEBB-ZDLGFXPLSA-N","5914726",NA,"PDBC45085","639674","Present"
-"NSC639687","","","","","","","","","","","","","","","","","","","","NSC639687","","COC1=CC=C(C=C1)C=NN2C(=O)CC3=CC=CC=C32","UITQBCVHKGGRFX-BOPFTXTBSA-N","5779291",NA,"PDBC45086","639687","Present"
-"NSC639688","","","","","","","","","","","","","","","","","","","","NSC639688","","C1C2=CC=CC=C2N(C1=O)N=CC3=CC=C(C=C3)[N+](=O)[O-]","GIGSBAQYGUSLBJ-YBEGLDIGSA-N","5815137",NA,"PDBC45087","639688","Present"
-"NSC639689","","","","","","","","","","","","","","","","","","","","NSC639689","","C1C2=CC=CC=C2N(C1=O)N=CC3=CC=C(C=C3)O","GGJSXXYKMFGFME-YBEGLDIGSA-N","135510151",NA,"PDBC45088","639689","Present"
-"NSC639692","","","","","","","","","","","","","","","","","","","","NSC639692","","C1=CC=C(C=C1)C=C2C3=CC=CC=C3N(C2=O)N=CC4=CC=CC=C4","GZDYWCRQLGLISK-SMCBROAFSA-N","6477146",NA,"PDBC45089","639692","Present"
-"NSC639693","","","","","","","","","","","","","","","","","","","","NSC639693","","CC(=O)N(C1=CC=CC=C1)N=CC2=CC=C(C=C2)[N+](=O)[O-]","BBWSBUROEQHSAP-WJDWOHSUSA-N","5929675",NA,"PDBC45090","639693","Present"
-"NSC639716","","","","","","","","","","","","","","","","","","","","NSC639716","","CCOC(=O)NC1C(OC2C1OC(O2)(C)C)CC(=O)OC","SCGFFFTVOLVLRJ-UTZLWWRBSA-N","368607",NA,"PDBC45091","639716","Present"
-"NSC639717","","","","","","","","","","","","","","","","","","","","NSC639717","","CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)OC1(CC2C3C(C1O2)N3)C#N","MUWASGSOOFULPN-UHFFFAOYSA-N","368608",NA,"PDBC45092","639717","Present"
-"NSC639724","","","","","","","","","","","","","","","","","","","","NSC639724","","CC(=O)OC1CCN2C1C(C=CC2=O)OCC3=CC=CC=C3","UDKKAMHHDCVXRP-CKDBGZEDSA-N","368616",NA,"PDBC45093","639724","Present"
-"NSC639725","","","","","","","","","","","","","","","","","","","","NSC639725","","COC1C(C2C(O1)CCN2C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4","CKBNYTXRUSOIJZ-HVZPKCFKSA-N","368617",NA,"PDBC45094","639725","Present"
-"NSC639747","","","","","","","","","","","","","","","","","","","","NSC639747","","C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N(C2=S)C4C(C(C(C(O4)CO)O)O)O","VEEXGKNZCQXJBX-UHFFFAOYSA-N","368634",NA,"PDBC45095","639747","Present"
-"NSC639749","","","","","","","","","","","","","","","","","","","","NSC639749","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(C=C(C=C3Br)Br)C(=O)N(C2=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","RDTCOQAOMGCRCZ-UHFFFAOYSA-N","368636",NA,"PDBC45096","639749","Present"
-"NSC639802","","","","","","","","","","","","","","","","","","","","NSC639802","","CC1(C2CCC13CS(=O)(=O)N4C3(O4)C(=O)O2)C","IBWARBOFSUICEE-CXAOWAQFSA-N","368683",NA,"PDBC45097","639802","Present"
-"NSC639837","","","","","","","","","","","","","","","","","","","","NSC639837","","C1COCCN1CC2CC(OC2=O)(CCCl)C3=CC=CC=C3.Cl","PFWDPHWGIAAVJK-UHFFFAOYSA-N","368700",NA,"PDBC45098","639837","Present"
-"NSC639838","","","","","","","","","","","","","","","","","","","","NSC639838","","C1COCCN1CC2CC(OC2=O)C3=CC=CC=C3.Cl","CNJZINYOTQMUHK-DTPOWOMPSA-N","11969932",NA,"PDBC45099","639838","Present"
-"NSC639839","","","","","","","","","","","","","","","","","","","","NSC639839","","C1COCCN1CC2CC(OC2=O)C3=CC=CC=C3.Cl","CNJZINYOTQMUHK-LMRHVHIWSA-N","11969933",NA,"PDBC45100","639839","Present"
-"NSC639857","","","","","","","","","","","","","","","","","","","","NSC639857","","C1=CC(=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)[N+](=O)[O-])CC(=O)O.[Na+]","SXTHVDDFIBKGBD-UHFFFAOYSA-N","54608100",NA,"PDBC45101","639857","Present"
-"NSC639859","","","","","","","","","","","","","","","","","","","","NSC639859","","CC1=CC(=C(C2=C(C=CN=C12)NCCCN(C)C)[N+](=O)[O-])C.Cl","LIBSICMJQSAVJC-UHFFFAOYSA-N","368724",NA,"PDBC45102","639859","Present"
-"NSC639860","","","","","","","","","","","","","","","","","","","","NSC639860","","C1=CC2=NC=CC(=C2C(=C1)[N+](=O)[O-])NCCCO.Cl","AFHIDHSBCLHTLS-UHFFFAOYSA-N","368726",NA,"PDBC45103","639860","Present"
-"NSC639861","","","","","","","","","","","","","","","","","","","","NSC639861","","COC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCC(CO)O.Cl","UXDHOIQCWSRLLF-UHFFFAOYSA-N","368728",NA,"PDBC45104","639861","Present"
-"NSC639940","","","","","","","","","","","","","","","","","","","","NSC639940","","CCCN(CCC)CCC1=CN(C(=C1)C(=O)C)S(=O)(=O)C2=CC=C(C=C2)C.Cl","XFWMTDGSWHZESJ-UHFFFAOYSA-N","368762",NA,"PDBC45105","639940","Present"
-"NSC639941","","","","","","","","","","","","","","","","","","","","NSC639941","","CC(=O)C(C(=O)C(=O)OC)C(C)(C)C1C(N(C(O1)C(C)(C)C)C(=O)OC)CC=C","XXACLLRSPGGQLD-KZFQUHQDSA-N","368764",NA,"PDBC45106","639941","Present"
-"NSC639943","","","","","","","","","","","","","","","","","","","","NSC639943","","C1=CC=C(C=C1)C=NN2C=C(C(=NC2=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","OURIQXLTVSJUJT-XYGWBWBKSA-N","6036979",NA,"PDBC45107","639943","Present"
-"NSC639945","","","","","","","","","","","","","","","","","","","","NSC639945","","CC(C)NCC(CON=C(C)C1=CC2=C(C=C1)SCC(=O)N2)O","KTAMFJYOMWGDSL-YBFXNURJSA-N","5465121",NA,"PDBC45108","639945","Present"
-"NSC639974","","","","","","","","","","","","","","","","","","","","NSC639974","","C1CCC2C(C1)C3CC45CCCCC4C(C3C(=O)O2)C(=O)O5","VJVQBNQLZLZAHA-QWPLONTLSA-N","368770",NA,"PDBC45109","639974","Present"
-"NSC640117","","","","","","","","","","","","","","","","","","","","NSC640117","","CN(C)CCNC(=O)C1=NC=CC(=C1)[N+](=O)[O-].Cl","VMOSMVZPDOOTRE-UHFFFAOYSA-N","368825",NA,"PDBC45110","640117","Present"
-"NSC640118","","","","","","","","","","","","","","","","","","","","NSC640118","","CN1C=C(C=C1C(=O)NCCN(C)C)[N+](=O)[O-].Cl","DSKAAEGJGGHGGZ-UHFFFAOYSA-N","368827",NA,"PDBC45111","640118","Present"
-"NSC640119","","","","","","","","","","","","","","","","","","","","NSC640119","","CN1C(=C(C=N1)C(=O)NCCN(C)C)[N+](=O)[O-].Cl","SSGHAMPCGQOHSX-UHFFFAOYSA-N","368829",NA,"PDBC45112","640119","Present"
-"NSC640159","","","","","","","","","","","","","","","","","","","","NSC640159","","","","",NA,"PDBC45113","640159","Present"
-"NSC640160","","","","","","","","","","","","","","","","","","","","NSC640160","","","","",NA,"PDBC45114","640160","Present"
-"NSC640161","","","","","","","","","","","","","","","","","","","","NSC640161","","","","",NA,"PDBC45115","640161","Present"
-"NSC640209","","","","","","","","","","","","","","","","","","","","NSC640209","","CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=CC=C4","JIHQBLLUOYESQC-UHFFFAOYSA-N","368870",NA,"PDBC45116","640209","Present"
-"NSC640211","","","","","","","","","","","","","","","","","","","","NSC640211","","CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)COC(=O)N)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=CC=C4","DDAJXHIJVQHLDD-UHFFFAOYSA-N","368872",NA,"PDBC45117","640211","Present"
-"NSC640215","","","","","","","","","","","","","","","","","","","","NSC640215","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=O)C#N)C3=CC=CO3)C4=CC=C(C=C4)N)OC(=O)C)OC(=O)C)OC(=O)C","NWISAVDUENVINN-UHFFFAOYSA-N","368876",NA,"PDBC45118","640215","Present"
-"NSC640223","","","","","","","","","","","","","","","","","","","","NSC640223","","CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CC=C4","SLOREAVKHBCWAX-UHFFFAOYSA-N","368878",NA,"PDBC45119","640223","Present"
-"NSC640224","","","","","","","","","","","","","","","","","","","","NSC640224","","COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CC=C4","GXKMWJJALPVOEK-UHFFFAOYSA-N","368879",NA,"PDBC45120","640224","Present"
-"NSC640225","","","","","","","","","","","","","","","","","","","","NSC640225","","CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CO4","XJNBFEOSRVOEOE-UHFFFAOYSA-N","368880",NA,"PDBC45121","640225","Present"
-"NSC640234","","","","","","","","","","","","","","","","","","","","NSC640234","","C1=CC=C(C(=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=CC=C8[N+](=O)[O-])[N+](=O)[O-]","LNNAURLMTULNKG-AKAXLSRLSA-N","368889",NA,"PDBC45122","640234","Present"
-"NSC640235","","","","","","","","","","","","","","","","","","","","NSC640235","","C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4C(C3=O)ON=C4C5=CC=C(C=C5)Br)N6C(=O)C7C(C6=O)ON=C7C8=CC=C(C=C8)Br","BAJUXBFQHZDYEQ-AKAXLSRLSA-N","368890",NA,"PDBC45123","640235","Present"
-"NSC640237","","","","","","","","","","","","","","","","","","","","NSC640237","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC(=CC=C8)[N+](=O)[O-]","YTZJGIKAFJBQHL-AKAXLSRLSA-N","368892",NA,"PDBC45124","640237","Present"
-"NSC640238","","","","","","","","","","","","","","","","","","","","NSC640238","","CC1=CC=C(C=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=C(C=C8)C","MVHZOPBZCOWWBN-CUEKVZMMSA-N","368893",NA,"PDBC45125","640238","Present"
-"NSC640239","","","","","","","","","","","","","","","","","","","","NSC640239","","C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4C(C3=O)ON=C4C5=C(C=C(C=C5)Cl)Cl)N6C(=O)C7C(C6=O)ON=C7C8=C(C=C(C=C8)Cl)Cl","UCPGBHKMEXUHFR-AKAXLSRLSA-N","368894",NA,"PDBC45126","640239","Present"
-"NSC640240","","","","","","","","","","","","","","","","","","","","NSC640240","","CC1=CC(=C(C(=C1)C)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=C(C=C(C=C8C)C)C)C","IVEPZRSQVKYTIY-HNBWCEFUSA-N","368895",NA,"PDBC45127","640240","Present"
-"NSC640242","","","","","","","","","","","","","","","","","","","","NSC640242","","C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4C(C3=O)ON=C4C5=CC=NC=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=NC=C8","QPIOGTOOKNCOSO-APAYWLHNSA-N","368897",NA,"PDBC45128","640242","Present"
-"NSC640244","","","","","","","","","","","","","","","","","","","","NSC640244","","C1=CC=C(C(=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=CC=C8Br)Br","UCCZLGLOVKMMNA-AKAXLSRLSA-N","368899",NA,"PDBC45129","640244","Present"
-"NSC640245","","","","","","","","","","","","","","","","","","","","NSC640245","","C1=CC=C(C(=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=CC=C8F)F","LLZTYJVPCBWBAV-AKAXLSRLSA-N","368900",NA,"PDBC45130","640245","Present"
-"NSC640246","","","","","","","","","","","","","","","","","","","","NSC640246","","C1=CC(=C(C(=C1)Cl)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=C(C=CC=C8Cl)Cl)Cl","HSJGKVYGNWOUBK-AKAXLSRLSA-N","368901",NA,"PDBC45131","640246","Present"
-"NSC640247","","","","","","","","","","","","","","","","","","","","NSC640247","","C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON(C7C(=O)C8=C(C=C(C=C8)Cl)Cl)C9=CC=CC=C9)C(=O)C1=C(C=C(C=C1)Cl)Cl","RTFVWKCBGFFGOR-ZDNYHMLXSA-N","368902",NA,"PDBC45132","640247","Present"
-"NSC640248","","","","","","","","","","","","","","","","","","","","NSC640248","","C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=CC=C9)ON2C1=CC=CC=C1","LFJQKDCUYBDNAK-YDEHMNANSA-N","368903",NA,"PDBC45133","640248","Present"
-"NSC640249","","","","","","","","","","","","","","","","","","","","NSC640249","","CC1=CC(=C(C(=C1)C)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=C(C=C(C=C9C)C)C)ON2C1=CC=CC=C1)C","CUWBOWMMLWOMMM-NFSLIGEQSA-N","368904",NA,"PDBC45134","640249","Present"
-"NSC640250","","","","","","","","","","","","","","","","","","","","NSC640250","","COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=C(C=C9)OC)ON2C1=CC=CC=C1","FUFGEKDLLKFZOY-MVTMXDCVSA-N","368905",NA,"PDBC45135","640250","Present"
-"NSC640251","","","","","","","","","","","","","","","","","","","","NSC640251","","C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC(=CC=C9)[N+](=O)[O-])C1=CC(=CC=C1)[N+](=O)[O-]","UUIGNRLGAJEAOJ-YDEHMNANSA-N","368906",NA,"PDBC45136","640251","Present"
-"NSC640252","","","","","","","","","","","","","","","","","","","","NSC640252","","C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=C(C=C9)[N+](=O)[O-])C1=CC=C(C=C1)[N+](=O)[O-]","DDPOQCPGGSSIPN-YDEHMNANSA-N","368907",NA,"PDBC45137","640252","Present"
-"NSC640253","","","","","","","","","","","","","","","","","","","","NSC640253","","C1=CC=C(C=C1)[N+]2=C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)O[N+](=C7C8=CC=CC=C8[N+](=O)[O-])C9=CC=CC=C9)C1=CC=CC=C1[N+](=O)[O-]","NMWVJDTUFGFLLU-TXJVJZIDSA-N","6331028",NA,"PDBC45138","640253","Present"
-"NSC640254","","","","","","","","","","","","","","","","","","","","NSC640254","","C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=C(C=C(C=C9)Cl)Cl)C1=C(C=C(C=C1)Cl)Cl","LUOKKYLELKGSTK-YDEHMNANSA-N","368908",NA,"PDBC45139","640254","Present"
-"NSC640255","","","","","","","","","","","","","","","","","","","","NSC640255","","CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=C(C=C9)C)ON2C1=CC=CC=C1","IBLYQHQDLTUPEE-MVTMXDCVSA-N","368909",NA,"PDBC45140","640255","Present"
-"NSC640256","","","","","","","","","","","","","","","","","","","","NSC640256","","C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=CC=C9Cl)C1=CC=CC=C1Cl","YSPLVPPVPWXZPP-YDEHMNANSA-N","368910",NA,"PDBC45141","640256","Present"
-"NSC640257","","","","","","","","","","","","","","","","","","","","NSC640257","","C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=C(C=C9)Cl)C1=CC=C(C=C1)Cl","YIAANDZUUCSHES-YDEHMNANSA-N","368911",NA,"PDBC45142","640257","Present"
-"NSC640258","","","","","","","","","","","","","","","","","","","","NSC640258","","CC(=O)NC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=C(C=C9)NC(=O)C)ON2C1=CC=CC=C1","BZZGZCIBKRKBRU-LSTBTSRYSA-N","368912",NA,"PDBC45143","640258","Present"
-"NSC640259","","","","","","","","","","","","","","","","","","","","NSC640259","","COC1=CC(=CC(=C1OC)OC)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC(=C(C(=C9)OC)OC)OC)ON2C1=CC=CC=C1","VXXKDLLHMQCVAB-RGCFGXRGSA-N","368913",NA,"PDBC45144","640259","Present"
-"NSC640260","","","","","","","","","","","","","","","","","","","","NSC640260","","C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=CC=C9F)C1=CC=CC=C1F","RVXOHUNESPRLPX-YDEHMNANSA-N","368914",NA,"PDBC45145","640260","Present"
-"NSC640261","","","","","","","","","","","","","","","","","","","","NSC640261","","C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=CO9)C1=CC=CO1","JZYDQIIXFQOQGO-WNJWIZAMSA-N","368915",NA,"PDBC45146","640261","Present"
-"NSC640340","","","","","","","","","","","","","","","","","","","","NSC640340","","CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=NNC(=O)C3=CC=CC=C3)C=CC4=CC(=C(C=C4)O)OC","ZATAOEBGRWUVMS-RXOVHVMJSA-N","135499151",NA,"PDBC45147","640340","Present"
-"NSC640343","","","","","","","","","","","","","","","","","","","","NSC640343","","CCC1=C(C(=CC=C1)C(C)CC)N=C(NC(=O)C2=CC=CC=C2C(=O)NC(=NC3=C(C=CC=C3C(C)CC)CC)SC)SC.I","RCRJVKAKXFKTTL-UHFFFAOYSA-N","135423139",NA,"PDBC45148","640343","Present"
-"NSC640345","","","","","","","","","","","","","","","","","","","","NSC640345","","CSC(=NC1=NC=CS1)NC(=O)C2=CC(=CC=C2)Cl.I","NPZLTPZZQAZDJK-UHFFFAOYSA-N","9571655",NA,"PDBC45149","640345","Present"
-"NSC640347","","","","","","","","","","","","","","","","","","","","NSC640347","","CSC(=NC1=CC=CC=C1Cl)NC(=O)C2=CC=C(C=C2)Br.I","BWEKZLFJPPTPPZ-UHFFFAOYSA-N","135423143",NA,"PDBC45150","640347","Present"
-"NSC640352","","","","","","","","","","","","","","","","","","","","NSC640352","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C=CC(=O)C","OPBWKLXVROIGOJ-YVMONPNESA-N","5466652",NA,"PDBC45151","640352","Present"
-"NSC640357","","","","","","","","","","","","","","","","","","","","NSC640357","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NN(C)C)C","ZERSWHDPHXVNTN-KOEQRZSOSA-N","5465132",NA,"PDBC45152","640357","Present"
-"NSC640358","","","","","","","","","","","","","","","","","","","","NSC640358","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NO)C","CCYPCFLUAOOJCH-BUVRLJJBSA-N","5465133",NA,"PDBC45153","640358","Present"
-"NSC640526","","","","","","","","","","","","","","","","","","","","NSC640526","","C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC=CC4=CC=CC=C43","WXTUPKOMTOZRJM-NXVVXOECSA-N","54611339",NA,"PDBC45154","640526","Present"
-"NSC640531","","","","","","","","","","","","","","","","","","","","NSC640531","","C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl)Cl","HDRUDSYPDBRZHT-KXFIGUGUSA-N","54602071",NA,"PDBC45155","640531","Present"
-"NSC640546","","","","","","","","","","","","","","","","","","","","NSC640546","","CC1=C(SC(=N1)N)C(=O)C=CC2=CC3=C(C=C2)OCO3","OKEZPFXHWCRHRE-RQOWECAXSA-N","54608635",NA,"PDBC45156","640546","Present"
-"NSC640547","","","","","","","","","","","","","","","","","","","","NSC640547","","CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]","FZXDABMURYKHCJ-VQHVLOKHSA-N","5876630",NA,"PDBC45157","640547","Present"
-"NSC640549","","","","","","","","","","","","","","","","","","","","NSC640549","","CC1=C(SC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CC=C(C=C3)N(C)C","LRJMLKFKRPSWMW-AWNIVKPZSA-N","5875812",NA,"PDBC45158","640549","Present"
-"NSC640550","","","","","","","","","","","","","","","","","","","","NSC640550","","CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)C=CC3=CC(=C(C=C3)O)OC","OFVZCBQTOWOILR-PKNBQFBNSA-N","5917078",NA,"PDBC45159","640550","Present"
-"NSC640553","","","","","","","","","","","","","","","","","","","","NSC640553","","CC1=C(SC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CC=C(C=C3)OC","OHGLCSVSLZEULT-LFYBBSHMSA-N","5867443",NA,"PDBC45160","640553","Present"
-"NSC640560","","","","","","","","","","","","","","","","","","","","NSC640560","","CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl","HWFJSRNQHJTPKQ-GQCTYLIASA-N","6054684",NA,"PDBC45161","640560","Present"
-"NSC640562","","","","","","","","","","","","","","","","","","","","NSC640562","","CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=C(C=C2)NC(=O)C","KYHRNORUBPIMGG-RMKNXTFCSA-N","6109655",NA,"PDBC45162","640562","Present"
-"NSC640565","","","","","","","","","","","","","","","","","","","","NSC640565","","CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=C(C=C2)Cl","OAUVXOFAFALBGK-VMPITWQZSA-N","6149175",NA,"PDBC45163","640565","Present"
-"NSC640567","","","","","","","","","","","","","","","","","","","","NSC640567","","CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=C(C=C2)N(C)C","LZELGBDDRIRJMW-JXMROGBWSA-N","5935152",NA,"PDBC45164","640567","Present"
-"NSC640570","","","","","","","","","","","","","","","","","","","","NSC640570","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)C=CC3=CC=C(C=C3)C=CC(=O)C4=C(N=C(S4)C5=NC(=C(S5)C(=O)C)C)C)C)C(=O)C","IEEVPIWIFVPYRU-XSYHWHKQSA-N","54608771",NA,"PDBC45165","640570","Present"
-"NSC640585","","","","","","","","","","","","","","","","","","","","NSC640585","","CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC(=C(C=C2)O)OC","MKNQSOYFHIMOAT-FNORWQNLSA-N","5901079",NA,"PDBC45166","640585","Present"
-"NSC640586","","","","","","","","","","","","","","","","","","","","NSC640586","","CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=CC=C2Cl","SPDCZZMATIQLGL-BQYQJAHWSA-N","5939270",NA,"PDBC45167","640586","Present"
-"NSC640646","","","","","","","","","","","","","","","","","","","","NSC640646","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSC(F)F)O)O)N","OEDUNIMOWCCRBV-UHFFFAOYSA-N","369089",NA,"PDBC45168","640646","Present"
-"NSC640647","","","","","","","","","","","","","","","","","","","","NSC640647","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSC(F)(F)F)O)O)N","SVAPYGHZOUZUSS-UHFFFAOYSA-N","369090",NA,"PDBC45169","640647","Present"
-"NSC640659","","","","","","","","","","","","","","","","","","","","NSC640659","","C[N+](C)(CCCNC1=C2C(=NC=C1)C=CC=C2[N+](=O)[O-])[O-].Cl.[Cl-]","QVCHPUXZYKVCQG-UHFFFAOYSA-M","54608931",NA,"PDBC45170","640659","Present"
-"NSC640661","","","","","","","","","","","","","","","","","","","","NSC640661","","CN(C)CCNC(=O)CN1C=CC(=O)C2=C1C=CC=C2[N+](=O)[O-].Cl","AYNCKDSWRPOASC-UHFFFAOYSA-N","369106",NA,"PDBC45171","640661","Present"
-"NSC640662","","","","","","","","","","","","","","","","","","","","NSC640662","","CN(C)CCNC(=O)CN1C=CC(=O)C2=C1C=CC(=C2)[N+](=O)[O-].Cl","XLQJWJLSWRTAIO-UHFFFAOYSA-N","369108",NA,"PDBC45172","640662","Present"
-"NSC640663","","","","","","","","","","","","","","","","","","","","NSC640663","","CN(C)CCNC(=O)CN1C=CC(=O)C2=C1C=C(C=C2)[N+](=O)[O-].Cl","IEQRJVMOCWDCFF-UHFFFAOYSA-N","369110",NA,"PDBC45173","640663","Present"
-"NSC640664","","","","","","","","","","","","","","","","","","","","NSC640664","","CN(C)CCNC(=O)CN1C=NC2=C(C1=O)C(=CC=C2)[N+](=O)[O-].Cl","IGEBXVQINCAVEO-UHFFFAOYSA-N","369112",NA,"PDBC45174","640664","Present"
-"NSC640681","","","","","","","","","","","","","","","","","","","","NSC640681","","CC(C)(CN1CCCCC1)C(=O)C=CC2=CC=C(C=C2)Cl.Cl","LLQNJAYGGWTKIL-YGCVIUNWSA-N","6516948",NA,"PDBC45175","640681","Present"
-"NSC640684","","","","","","","","","","","","","","","","","","","","NSC640684","","C1=CC=C(C=C1)C(=NN=C(CCSCCO)C2=CC=CC=C2)CCSCCO","ZLNPVJFWPXYFSD-MBALSZOMSA-N","5465139",NA,"PDBC45176","640684","Present"
-"NSC640745","","","","","","","","","","","","","","","","","","","","NSC640745","","","","",NA,"PDBC45177","640745","Present"
-"NSC640927","","","","","","","","","","","","","","","","","","","","NSC640927","","C1=CC2(C3C(C1C2=O)C=C(C3=O)Br)Br","PTZPVBFJESVZAU-KEQCRXGISA-N","369221",NA,"PDBC45178","640927","Present"
-"NSC641027","","","","","","","","","","","","","","","","","","","","NSC641027","","C1C(CSCC1N2C=CC(=O)NC2=O)CO","DFCMYYNNUSIPQC-HTQZYQBOSA-N","369276",NA,"PDBC45179","641027","Present"
-"NSC641028","","","","","","","","","","","","","","","","","","","","NSC641028","","C1C(CS(=O)CC1N2C=CC(=O)NC2=O)CO","NFCKJEVFTIIMMJ-KLBCQMGOSA-N","369277",NA,"PDBC45180","641028","Present"
-"NSC641030","","","","","","","","","","","","","","","","","","","","NSC641030","","C1C(CC(C1CO)O)N2C=C(C(=O)NC2=O)I","NEWOWXPKUVLDTM-HAFWLYHUSA-N","369279",NA,"PDBC45181","641030","Present"
-"NSC641031","","","","","","","","","","","","","","","","","","","","NSC641031","","C1C(CC(C1CO)O)N2C=C(C(=O)NC2=O)C=CBr","KAVDAMFOTJIBCK-YLTSPFDWSA-N","5466678",NA,"PDBC45182","641031","Present"
-"NSC641053","","","","","","","","","","","","","","","","","","","","NSC641053","","","","",NA,"PDBC45183","641053","Present"
-"NSC641054","","","","","","","","","","","","","","","","","","","","NSC641054","","","","",NA,"PDBC45184","641054","Present"
-"NSC641055","","","","","","","","","","","","","","","","","","","","NSC641055","","","","",NA,"PDBC45185","641055","Present"
-"NSC641056","","","","","","","","","","","","","","","","","","","","NSC641056","","","","",NA,"PDBC45186","641056","Present"
-"NSC641057","","","","","","","","","","","","","","","","","","","","NSC641057","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(P(=O)(O)O)P(=O)(O)O.[Na+]","ICLGRFBKXBSNSE-UHFFFAOYSA-N","54611273",NA,"PDBC45187","641057","Present"
-"NSC641058","","","","","","","","","","","","","","","","","","","","NSC641058","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O.[Na+]","HQAJMKCGKJVVQK-UHFFFAOYSA-N","54605020",NA,"PDBC45188","641058","Present"
-"NSC641059","","","","","","","","","","","","","","","","","","","","NSC641059","","CC(C)(C)C1=CC(=C(P(=O)(O)O)P(=O)(O)O)C=C(C1=O)C(C)(C)C.[Na+]","MLHPFKPKTJVXID-UHFFFAOYSA-N","54608827",NA,"PDBC45189","641059","Present"
-"NSC641091","","","","","","","","","","","","","","","","","","","","NSC641091","","CCN(CC)C(=CCl)NC1=CC=CC=N1.OCl(=O)(=O)=O","WEPGSVRUVDDEGA-KSIDEHCFSA-N","24202345",NA,"PDBC45190","641091","Present"
-"NSC641094","","","","","","","","","","","","","","","","","","","","NSC641094","","CC1=CC=C(C=C1)N(C(=O)CC(=O)NN=C(C)C2=CC3=CC=CC=C3OC2=O)C(=O)C4=CC=CC=C4Cl","XZOHEFOAGUZRBF-YKQZZPSBSA-N","5465149",NA,"PDBC45191","641094","Present"
-"NSC641097","","","","","","","","","","","","","","","","","","","","NSC641097","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=CC(=O)NC2=CC=CC=C2","DMYHLWRWMVTAIA-BENRWUELSA-N","54608117",NA,"PDBC45192","641097","Present"
-"NSC641102","","","","","","","","","","","","","","","","","","","","NSC641102","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N","ZRVUJGRCXDPKOE-LTGZKZEYSA-N","5466691",NA,"PDBC45193","641102","Present"
-"NSC641103","","","","","","","","","","","","","","","","","","","","NSC641103","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2CN(C(=N2)C3=CC=CC=C3)N4C(=NC(=CC5=C(C=C(C=C5)N(CCC#N)CCC#N)C)C4=O)C6=CC=CC=C6","SVUHJIJJFGXRME-OJERWFOPSA-N","6063668",NA,"PDBC45194","641103","Present"
-"NSC641110","","","","","","","","","","","","","","","","","","","","NSC641110","","CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)O1)C(C)C)C)C(C)C)C)C(C)C","VNLUJQXOEXNPSH-UYUGIJINSA-N","369354",NA,"PDBC45195","641110","Present"
-"NSC641171","","","","","","","","","","","","","","","","","","","","NSC641171","","CC=CC=CC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C","DTKWQCFDNRPDGR-LHOHZTISSA-N","54608118",NA,"PDBC45196","641171","Present"
-"NSC641210","","","","","","","","","","","","","","","","","","","","NSC641210","","C1OC2=C(O1)C=C(C=C2)C3C(=NNC(=O)CCC(=O)NC4=CC=CC=C4C(F)(F)F)C(=NNC(=O)CCC(=O)NC5=CC=CC=C5C(F)(F)F)C6=CC=CC=C6O3","BAZWYQPBNWINRE-JHWGDFDMSA-N","6399328",NA,"PDBC45197","641210","Present"
-"NSC641275","","","","","","","","","","","","","","","","","","","","NSC641275","","CN(C)CCN1C2=CC=CC3=C2C(=CC=C3)N=N1.Cl","VIVVUMSGBJIYBN-UHFFFAOYSA-N","369493",NA,"PDBC45198","641275","Present"
-"NSC641276","","","","","","","","","","","","","","","","","","","","NSC641276","","CN(C)CC[N+]1=NC2=CC=CC3=C2C(=CC=C3)N1.[Cl-]","ASMBQDZVMDBTDP-UHFFFAOYSA-M","369495",NA,"PDBC45199","641276","Present"
-"NSC641277","","","","","","","","","","","","","","","","","","","","NSC641277","","CN(C)CCC[N+]1=NC2=CC=CC3=C2C(=CC=C3)N1.[Cl-]","HRYGGDWVLVIEDG-UHFFFAOYSA-M","369497",NA,"PDBC45200","641277","Present"
-"NSC641278","","","","","","","","","","","","","","","","","","","","NSC641278","","CN(C)CCCN1C2=CC=CC3=C2C(=CC=C3)N=N1.Cl","HSHWOCCEMCMIBT-UHFFFAOYSA-N","369499",NA,"PDBC45201","641278","Present"
-"NSC641280","","","","","","","","","","","","","","","","","","","","NSC641280","","C1=CC(=CC=C1C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=C(C=C5)Cl)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2)Cl","OGLOLQNWUAEDFC-RIGUPBQNSA-N","3000386",NA,"PDBC45202","641280","Present"
-"NSC641284","","","","","","","","","","","","","","","","","","","","NSC641284","","C1=CC=C(C(=C1)C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=CC=C5Cl)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2)Cl","RAODMWMZJGUUKI-RIGUPBQNSA-N","3000385",NA,"PDBC45203","641284","Present"
-"NSC641383","","","","","","","","","","","","","","","","","","","","NSC641383","","CCOC(C1C=CC(N(O1)C2=CC=C(C=C2)[N+](=O)[O-])C)OC(=O)C","IJHIEEIWVFVNRK-QUJPKXGGSA-N","369526",NA,"PDBC45204","641383","Present"
-"NSC641391","","","","","","","","","","","","","","","","","","","","NSC641391","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=C(C=C8)[N+](=O)[O-])C(=O)N(C6=O)C9=CC=C(C=C9)[N+](=O)[O-]","GPIYEBISFFJPLG-LKJQOOIXSA-N","369534",NA,"PDBC45205","641391","Present"
-"NSC641392","","","","","","","","","","","","","","","","","","","","NSC641392","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)NC7=O)C(=O)NC6=O","ZYSAVSIKQFUIOT-MKOCQCBBSA-N","369535",NA,"PDBC45206","641392","Present"
-"NSC641408","","","","","","","","","","","","","","","","","","","","NSC641408","","CC1=CC(=CC(=C1NC(=O)C(=NNC(C)(C)C)C(CC2=NC3=CC=CC=C3NC2=O)C(=O)OC)C)Br","UKMJGUMIWOWLKH-DFKUXCBWSA-N","5465154",NA,"PDBC45207","641408","Present"
-"NSC641413","","","","","","","","","","","","","","","","","","","","NSC641413","","CC(=CC(=O)C(C(=NO)C(=O)OC)C(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C","QHBVVISEHPGMQR-KGENOOAVSA-N","6399329",NA,"PDBC45208","641413","Present"
-"NSC641414","","","","","","","","","","","","","","","","","","","","NSC641414","","CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)CC(=NNC(=O)N)C(=O)NC3=CC=C(C=C3)C(=O)C","PBLIVSBLUZVEIL-WPWMEQJKSA-N","5480955",NA,"PDBC45209","641414","Present"
-"NSC641415","","","","","","","","","","","","","","","","","","","","NSC641415","","CC(C)(C)NN=C(C(C(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)OC)C(=O)OC","YTDYLNMYZQNHQM-LPYMAVHISA-N","5465156",NA,"PDBC45210","641415","Present"
-"NSC641416","","","","","","","","","","","","","","","","","","","","NSC641416","","CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C(=O)C=C(C)C)C(=NNC(C)(C)C)C(=O)OC","VHXVWBKGQZDMRE-XIEYBQDHSA-N","5465157",NA,"PDBC45211","641416","Present"
-"NSC641437","","","","","","","","","","","","","","","","","","","","NSC641437","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=NN)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N","TXFAIOIFGNULNY-NJZRLIGZSA-N","5465164",NA,"PDBC45212","641437","Present"
-"NSC641440","","","","","","","","","","","","","","","","","","","","NSC641440","","C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=C(C=C(C=C3)O)O)C(=NN)C(=O)NC4=CC(=CC=C4)Cl","KMBSUMWQGOTQHW-VFCFBJKWSA-N","5465167",NA,"PDBC45213","641440","Present"
-"NSC641456","","","","","","","","","","","","","","","","","","","","NSC641456","","","","",NA,"PDBC45214","641456","Present"
-"NSC641467","","","","","","","","","","","","","","","","","","","","NSC641467","","","","",NA,"PDBC45215","641467","Present"
-"NSC641473","","","","","","","","","","","","","","","","","","","","NSC641473","","CC(C)N(C(C)C)[PH+]1O[PH+](O[PH+](O[PH+](O1)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].[Mo]","XWKWASWZEGLFML-UHFFFAOYSA-R","6711793",NA,"PDBC45216","641473","Present"
-"NSC641474","","","","","","","","","","","","","","","","","","","","NSC641474","","CC(C)N(C(C)C)[PH+]1O[PH+](O[PH+](O[PH+](O[PH+](O1)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Cr]","RPNKLRKTJRSGNM-UHFFFAOYSA-S","6711794",NA,"PDBC45217","641474","Present"
-"NSC641482","","","","","","","","","","","","","","","","","","","","NSC641482","","CC(C)CN(CC(C)C)C(=O)C1CCCCC1C(=O)O","JVPOLLYQYUEDLO-KZUDCZAMSA-N","369601",NA,"PDBC45218","641482","Present"
-"NSC641485","","","","","","","","","","","","","","","","","","","","NSC641485","","CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.[Na+]","QUWZLQZEXHMCJR-UHFFFAOYSA-N","54608773",NA,"PDBC45219","641485","Present"
-"NSC641486","","","","","","","","","","","","","","","","","","","","NSC641486","","CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=S)NC4=C(C=CC(=C4)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.[Na+]","WQGXUNJDJJOVMA-UHFFFAOYSA-N","54608774",NA,"PDBC45220","641486","Present"
-"NSC641535","","","","","","","","","","","","","","","","","","","","NSC641535","","CN1CCCC2(C1)CCCC3=CC=CC=C23.Cl","NAFNMBCCNUGSGC-UHFFFAOYSA-N","369622",NA,"PDBC45221","641535","Present"
-"NSC641538","","","","","","","","","","","","","","","","","","","","NSC641538","","C1=CC(=C(C=C1Cl)Cl)CCN2C=NC=N2.Cl","FNOOCYZUORAGSM-UHFFFAOYSA-N","369625",NA,"PDBC45222","641538","Present"
-"NSC641540","","","","","","","","","","","","","","","","","","","","NSC641540","","COC1=CC=C(C=C1)CCN2C=NC=N2.Cl","LPZVWEIZIHXTIV-UHFFFAOYSA-N","369629",NA,"PDBC45223","641540","Present"
-"NSC641545","","","","","","","","","","","","","","","","","","","","NSC641545","","C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)C(=O)N","IBDDFHSAYJSBMH-UHFFFAOYSA-N","369634",NA,"PDBC45224","641545","Present"
-"NSC641600","","","","","","","","","","","","","","","","","","","","NSC641600","","C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O","IMKOUDIHGFRKIW-DIBXZPPDSA-N","135499157",NA,"PDBC45225","641600","Present"
-"NSC641602","","","","","","","","","","","","","","","","","","","","NSC641602","","C1=CC=C(C=C1)CC(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CO4)O","CHTOQGYSOSVQCR-XHPQRKPJSA-N","135499159",NA,"PDBC45226","641602","Present"
-"NSC641603","","","","","","","","","","","","","","","","","","","","NSC641603","","C1=CC=C(C=C1)CC(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CC=C4Cl)O","BZPAJRJMTBCQFV-ANYBSYGZSA-N","135499160",NA,"PDBC45227","641603","Present"
-"NSC641605","","","","","","","","","","","","","","","","","","","","NSC641605","","C1=CC(=CC=C1NC(=O)C(=NNC(=S)NN)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)[N+](=O)[O-]","PXVGUYQJPBPWHI-OEAKJJBVSA-N","135499162",NA,"PDBC45228","641605","Present"
-"NSC641608","","","","","","","","","","","","","","","","","","","","NSC641608","","CCC(C1C2=CC=CC=C2C(=O)O1)C(=NNC(=O)C[N+](C)(C)C)C3=CC=CC=C3.[Cl-]","LHJYAUFNWIGQCR-JMFMGIQESA-N","5480956",NA,"PDBC45229","641608","Present"
-"NSC641609","","","","","","","","","","","","","","","","","","","","NSC641609","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=C(C=C4)C(C(=NNS(=O)(=O)C5=CC=C(C=C5)C)C6=NC7=C(C=C(C=C7)[N+](=O)[O-])NC6=O)O)O","UKCSJHCKSPCKAU-WDIHSTDGSA-N","135499163",NA,"PDBC45230","641609","Present"
-"NSC641610","","","","","","","","","","","","","","","","","","","","NSC641610","","CC1=C(SC(=N1)NNC(=O)C)C(=NN=C(N)N)C=CC2=CC=C(C=C2)Cl","FCVGFSZCXYXBBM-IPVGOPCVSA-N","135499164",NA,"PDBC45231","641610","Present"
-"NSC641612","","","","","","","","","","","","","","","","","","","","NSC641612","","C1=COC(=C1)C(C(=NNC(=O)N)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O","YDIMTPKQHUYZDL-ODLFYWEKSA-N","135499165",NA,"PDBC45232","641612","Present"
-"NSC641617","","","","","","","","","","","","","","","","","","","","NSC641617","","CN(C)N=C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(C3=CC=CO3)O","YOVJYQOWSYMMOA-UYRXBGFRSA-N","135499168",NA,"PDBC45233","641617","Present"
-"NSC641618","","","","","","","","","","","","","","","","","","","","NSC641618","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C=CC2=CC=C(C=C2)Cl)C3=C(N=C(S3)NNC(=O)C)C","CNTTXOIHNNYMTK-QUTRIXMNSA-N","135499169",NA,"PDBC45234","641618","Present"
-"NSC641703","","","","","","","","","","","","","","","","","","","","NSC641703","","CN(C)CCNC(=O)C1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2)[N+](=O)[O-].Cl","DVOKMYYZDBJLEK-UHFFFAOYSA-N","369679",NA,"PDBC45235","641703","Present"
-"NSC641704","","","","","","","","","","","","","","","","","","","","NSC641704","","CN(C)CCNC(=O)C1=C(C(=CC=C1)N(C)C(=O)C2=CC=CC=C2)[N+](=O)[O-].Cl","HUFWVSIEFOGOCR-UHFFFAOYSA-N","369681",NA,"PDBC45236","641704","Present"
-"NSC641705","","","","","","","","","","","","","","","","","","","","NSC641705","","CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCC[N+](C)(C)[O-].Cl.[Cl-]","BICVLRACZNOPJR-UHFFFAOYSA-M","54612515",NA,"PDBC45237","641705","Present"
-"NSC641706","","","","","","","","","","","","","","","","","","","","NSC641706","","CCC1=C(C2=C(C=CN=C2C=C1)NCCCN(C)C)[N+](=O)[O-].Cl","RKQRBGWRJRHEDT-UHFFFAOYSA-N","369685",NA,"PDBC45238","641706","Present"
-"NSC641709","","","","","","","","","","","","","","","","","","","","NSC641709","","CC(C)C1=C(C(=CC=C1)C(=O)NCCN(C)C)[N+](=O)[O-].Cl","GUCUHKVEUMNDRQ-UHFFFAOYSA-N","369691",NA,"PDBC45239","641709","Present"
-"NSC641754","","","","","","","","","","","","","","","","","","","","NSC641754","","C1=CC(=CC=C1C=C2C(=O)OC(=N2)COC3=C(C=C(C=C3)Cl)Cl)N(CCC#N)CCC#N","HEJYTEMZKXARCP-MOSHPQCFSA-N","15163401",NA,"PDBC45240","641754","Present"
-"NSC641817","","","","","","","","","","","","","","","","","","","","NSC641817","","C1=CC=C2C(=C1)C(OC2=O)CC(=NNC(=S)N)C3=CC=C(C=C3)Cl","KQKQPRIUCLJKSG-XSFVSMFZSA-N","5465185",NA,"PDBC45241","641817","Present"
-"NSC641832","","","","","","","","","","","","","","","","","","","","NSC641832","","CCN(CC)CC(C(=NNC(=O)C[N+](C)(C)C)C)C(=O)NC1=C(C=CC=C1C)C.[Cl-]","VDHDWRRJSCBMBO-XWASNXTISA-N","6517012",NA,"PDBC45242","641832","Present"
-"NSC641836","","","","","","","","","","","","","","","","","","","","NSC641836","","CN(C)CC(C1=CC=CC=C1)C(=NNC(=O)C[N+]2=CC=CC=C2)CC3=CC=CC=C3.[Cl-]","INTHIFGCWAWFNO-FSKGQQLBSA-N","5479931",NA,"PDBC45243","641836","Present"
-"NSC641837","","","","","","","","","","","","","","","","","","","","NSC641837","","CCCCN(CCCC)CC(C(=NNC(=O)C[N+](C)(C)C)C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].[Cl-]","KWZBATXTMOEGDN-ZVOSEVRTSA-N","5479933",NA,"PDBC45244","641837","Present"
-"NSC641841","","","","","","","","","","","","","","","","","","","","NSC641841","","CCN(CC)CC(C(=NNC(=S)NN)C)C(=O)NC1=C(C=CC=C1C)C","HLYSETYBGLFICF-HMAPJEAMSA-N","5465187",NA,"PDBC45245","641841","Present"
-"NSC641842","","","","","","","","","","","","","","","","","","","","NSC641842","","CCCCN(CCCC)CC(C(=NNC(=S)NN)C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","FTGRUBGTMGYPGB-OYKKKHCWSA-N","5465188",NA,"PDBC45246","641842","Present"
-"NSC641844","","","","","","","","","","","","","","","","","","","","NSC641844","","CN(C)CC(=NNC(=O)OC)CC1=CC=CC=C1","RHTJBYIJNAKLDY-WYMLVPIESA-N","5465190",NA,"PDBC45247","641844","Present"
-"NSC641851","","","","","","","","","","","","","","","","","","","","NSC641851","","CC1=CC(=C(C=C1)NC(=O)CC(=NN=C(N)N)C)C","GEVFDYOKUQZCAJ-YVLHZVERSA-N","5465195",NA,"PDBC45248","641851","Present"
-"NSC641852","","","","","","","","","","","","","","","","","","","","NSC641852","","CC1=CC(=C(C=C1)C)NC(=O)CC(=NN=C(N)N)C","CNQQZBKDZPRCDL-YVLHZVERSA-N","5465196",NA,"PDBC45249","641852","Present"
-"NSC641854","","","","","","","","","","","","","","","","","","","","NSC641854","","CC(=NN=C(N)N)CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]","NBYWHLCSDACJHM-CHHVJCJISA-N","5465198",NA,"PDBC45250","641854","Present"
-"NSC641857","","","","","","","","","","","","","","","","","","","","NSC641857","","CC(=NNC(=S)N)CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]","NDXYKGSNOJSODA-AUWJEWJLSA-N","5465200",NA,"PDBC45251","641857","Present"
-"NSC641870","","","","","","","","","","","","","","","","","","","","NSC641870","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl","MGWVZTGJGGIEGJ-SSDVNMTOSA-N","5465209",NA,"PDBC45252","641870","Present"
-"NSC641876","","","","","","","","","","","","","","","","","","","","NSC641876","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=NNC(=O)N)C3=CC(=CC(=N3)C)C","HOSHRYQTNMVWQA-HZHRSRAPSA-N","5480958",NA,"PDBC45253","641876","Present"
-"NSC641882","","","","","","","","","","","","","","","","","","","","NSC641882","","CC(C)C(C1=CC=CC=C1)N=C2CC3CCC2(C3(C)C)C(=O)NC4=CC=CC=C4O","BKNBCHQJHMGYDF-UHFFFAOYSA-N","369794",NA,"PDBC45254","641882","Present"
-"NSC641988","","","","","","","","","","","","","","","","","","","","NSC641988","","COC(=O)C(C1=NC2=CC=CC=C2NC1=O)C(=NO)C(=O)NC3=CC=C(C=C3)Br","ALKWUQDQXSIKRU-LFVJCYFKSA-N","6399330",NA,"PDBC45255","641988","Present"
-"NSC641994","","","","","","","","","","","","","","","","","","","","NSC641994","","COC(=O)C(C(=NNC(=O)N)C(=O)OC)C(=O)C(=O)NC1=CC=C(C=C1)Cl","KUAQIOGYHHOVDZ-VXLYETTFSA-N","5465217",NA,"PDBC45256","641994","Present"
-"NSC641996","","","","","","","","","","","","","","","","","","","","NSC641996","","CC1=CC(=C(C(=C1)Cl)NC(=O)C(=O)C(C(=NO)C(=O)OC)C(=O)OC)S(=O)(=O)O","KMFZEIBLKQAYCS-WOJGMQOQSA-N","6399331",NA,"PDBC45257","641996","Present"
-"NSC642001","","","","","","","","","","","","","","","","","","","","NSC642001","","CC1=NC2=CC=CC=C2N=C1CC(C(=NNC(=O)N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC","BEBKLCLJNBWQGB-ZXVVBBHZSA-N","5465218",NA,"PDBC45258","642001","Present"
-"NSC642038","","","","","","","","","","","","","","","","","","","","NSC642038","","C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)C(=NNC(=O)C2=CC=NC=C2)C(C3=CN=C4C=CC(=CC4=N3)[N+](=O)[O-])[N+](=O)[O-]","NCPJUBWNIPTJNR-OFWBYEQRSA-N","5479726",NA,"PDBC45259","642038","Present"
-"NSC642053","","","","","","","","","","","","","","","","","","","","NSC642053","","C1=CC=C2C(=C1)NC(=O)C(S2=O)C(=NNC(=S)NN)C(=O)NC3=C(C=CC(=C3)Cl)Cl","UMJMVZCEQUOLQV-ZMOGYAJESA-N","5465231",NA,"PDBC45260","642053","Present"
-"NSC642057","","","","","","","","","","","","","","","","","","","","NSC642057","","COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C4=NS(=O)(=O)C5=CC(=C(C=C5N4)Cl)S(=O)(=O)N","NETWKIUCFMAAAF-UHFFFAOYSA-N","6711801",NA,"PDBC45261","642057","Present"
-"NSC642062","","","","","","","","","","","","","","","","","","","","NSC642062","","CC1=C(C2=CC=CC=C2C(=C1NC(=O)C(=NNC(=S)N=N)C3C(=O)CC(CC3=O)(C)C)O)O","YEQAEYXAAMBNPW-WBWSGADESA-N","135499172",NA,"PDBC45262","642062","Present"
-"NSC642066","","","","","","","","","","","","","","","","","","","","NSC642066","","C[N+](C)(C)CC(=O)NN=C(C1C(=O)NC(=O)NC1=O)C(=O)NC2=CC=C(C=C2)Br","LLMGQATWDSMFAQ-UHFFFAOYSA-O","5479948",NA,"PDBC45263","642066","Present"
-"NSC642067","","","","","","","","","","","","","","","","","","","","NSC642067","","C[N+](C)(C)CC(=O)NN=C(C(C(=O)C(=O)NC1=CC=C(C=C1)F)C(=O)OC)C(=O)OC.[Cl-]","QUZNBHLQGGWQGZ-UHFFFAOYSA-N","5479949",NA,"PDBC45264","642067","Present"
-"NSC642392","","","","","","","","","","","","","","","","","","","","NSC642392","","","","",NA,"PDBC45265","642392","Present"
-"NSC642393","","","","","","","","","","","","","","","","","","","","NSC642393","","","","",NA,"PDBC45266","642393","Present"
-"NSC642394","","","","","","","","","","","","","","","","","","","","NSC642394","","","","",NA,"PDBC45267","642394","Present"
-"NSC642395","","","","","","","","","","","","","","","","","","","","NSC642395","","","","",NA,"PDBC45268","642395","Present"
-"NSC642396","","","","","","","","","","","","","","","","","","","","NSC642396","","","","",NA,"PDBC45269","642396","Present"
-"NSC642397","","","","","","","","","","","","","","","","","","","","NSC642397","","","","",NA,"PDBC45270","642397","Present"
-"NSC642398","","","","","","","","","","","","","","","","","","","","NSC642398","","","","",NA,"PDBC45271","642398","Present"
-"NSC642399","","","","","","","","","","","","","","","","","","","","NSC642399","","","","",NA,"PDBC45272","642399","Present"
-"NSC642400","","","","","","","","","","","","","","","","","","","","NSC642400","","","","",NA,"PDBC45273","642400","Present"
-"NSC642401","","","","","","","","","","","","","","","","","","","","NSC642401","","","","",NA,"PDBC45274","642401","Present"
-"NSC642402","","","","","","","","","","","","","","","","","","","","NSC642402","","","","",NA,"PDBC45275","642402","Present"
-"NSC642403","","","","","","","","","","","","","","","","","","","","NSC642403","","","","",NA,"PDBC45276","642403","Present"
-"NSC642404","","","","","","","","","","","","","","","","","","","","NSC642404","","","","",NA,"PDBC45277","642404","Present"
-"NSC642405","","","","","","","","","","","","","","","","","","","","NSC642405","","","","",NA,"PDBC45278","642405","Present"
-"NSC642406","","","","","","","","","","","","","","","","","","","","NSC642406","","","","",NA,"PDBC45279","642406","Present"
-"NSC642407","","","","","","","","","","","","","","","","","","","","NSC642407","","","","",NA,"PDBC45280","642407","Present"
-"NSC642408","","","","","","","","","","","","","","","","","","","","NSC642408","","","","",NA,"PDBC45281","642408","Present"
-"NSC642409","","","","","","","","","","","","","","","","","","","","NSC642409","","","","",NA,"PDBC45282","642409","Present"
-"NSC642410","","","","","","","","","","","","","","","","","","","","NSC642410","","","","",NA,"PDBC45283","642410","Present"
-"NSC642411","","","","","","","","","","","","","","","","","","","","NSC642411","","","","",NA,"PDBC45284","642411","Present"
-"NSC642412","","","","","","","","","","","","","","","","","","","","NSC642412","","","","",NA,"PDBC45285","642412","Present"
-"NSC642413","","","","","","","","","","","","","","","","","","","","NSC642413","","","","",NA,"PDBC45286","642413","Present"
-"NSC642414","","","","","","","","","","","","","","","","","","","","NSC642414","","","","",NA,"PDBC45287","642414","Present"
-"NSC642415","","","","","","","","","","","","","","","","","","","","NSC642415","","","","",NA,"PDBC45288","642415","Present"
-"NSC642416","","","","","","","","","","","","","","","","","","","","NSC642416","","","","",NA,"PDBC45289","642416","Present"
-"NSC642417","","","","","","","","","","","","","","","","","","","","NSC642417","","","","",NA,"PDBC45290","642417","Present"
-"NSC642418","","","","","","","","","","","","","","","","","","","","NSC642418","","","","",NA,"PDBC45291","642418","Present"
-"NSC642419","","","","","","","","","","","","","","","","","","","","NSC642419","","","","",NA,"PDBC45292","642419","Present"
-"NSC642420","","","","","","","","","","","","","","","","","","","","NSC642420","","","","",NA,"PDBC45293","642420","Present"
-"NSC642481","","","","","","","","","","","","","","","","","","","","NSC642481","","C1CN(CCC1C2=CC=CC=C2)CC(CC3=CC=CC4=CC=CC=C43)O.Cl","AKJHTTJYKQJKGG-UHFFFAOYSA-N","369968",NA,"PDBC45294","642481","Present"
-"NSC642485","","","","","","","","","","","","","","","","","","","","NSC642485","","CC(=NO)C1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)C(=NO)C","OELMDWGMIDHSBC-KXXAZWSYSA-N","135499175",NA,"PDBC45295","642485","Present"
-"NSC642497","","","","","","","","","","","","","","","","","","","","NSC642497","","CN(C)CCNC(=O)C1=CC=CC(=C1[N+](=O)[O-])CO.Cl","DBPVDCSEISMPBH-UHFFFAOYSA-N","369977",NA,"PDBC45296","642497","Present"
-"NSC642498","","","","","","","","","","","","","","","","","","","","NSC642498","","CN(C)CCNC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2)[N+](=O)[O-].Cl","BGUUEMYJTLFKQC-UHFFFAOYSA-N","369979",NA,"PDBC45297","642498","Present"
-"NSC642570","","","","","","","","","","","","","","","","","","","","NSC642570","","CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=NNC(=O)CC(=O)NC4=CC=C(C=C4)Cl)C","XDIFPRCWMHKNKS-UVYKDYBGSA-N","5479991",NA,"PDBC45298","642570","Present"
-"NSC642571","","","","","","","","","","","","","","","","","","","","NSC642571","","CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=NNC(=O)CC(=O)NC4=CC(=CC=C4)OC)C","ZKILCDDOIQBBKU-GNUYQPRCSA-N","5465238",NA,"PDBC45299","642571","Present"
-"NSC642572","","","","","","","","","","","","","","","","","","","","NSC642572","","COC1=CC=CC(=C1)NC(=O)CC(=O)NN2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","LAWVUTPUQRGQFK-QRQIAZFYSA-N","6066518",NA,"PDBC45300","642572","Present"
-"NSC642573","","","","","","","","","","","","","","","","","","","","NSC642573","","C1=CC=C(C(=C1)NC(=O)CC(=O)NN2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)Cl","WNGMNKXDGMCLKZ-PKAZHMFMSA-N","5899730",NA,"PDBC45301","642573","Present"
-"NSC642576","","","","","","","","","","","","","","","","","","","","NSC642576","","C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)N(CCC#N)CCC#N)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","AMQKNYQSRWSDCH-ITYLOYPMSA-N","54608878",NA,"PDBC45302","642576","Present"
-"NSC642578","","","","","","","","","","","","","","","","","","","","NSC642578","","COC(=O)C1=CC(=NNC(=O)CC(=O)NC2=CC=CC=C2Cl)C3=CC=CC=C3O1","NDSWYZKHRJWUAF-HZHRSRAPSA-N","5465240",NA,"PDBC45303","642578","Present"
-"NSC642587","","","","","","","","","","","","","","","","","","","","NSC642587","","C1=CC=C(C(=C1)C=C(C2=CC=CS2)C(=O)O)[N+](=O)[O-]","WLRAZXHITXEZCQ-CSKARUKUSA-N","5466751",NA,"PDBC45304","642587","Present"
-"NSC642593","","","","","","","","","","","","","","","","","","","","NSC642593","","CCN1CCC(C(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)(C3=CC(=C(C=C3)Cl)Cl)O.Br","MHYJYKSJRHDMGW-UHFFFAOYSA-N","370025",NA,"PDBC45305","642593","Present"
-"NSC642594","","","","","","","","","","","","","","","","","","","","NSC642594","","CCN1CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O.Br","DRVGRRBPSGWZAQ-UHFFFAOYSA-N","370027",NA,"PDBC45306","642594","Present"
-"NSC642595","","","","","","","","","","","","","","","","","","","","NSC642595","","CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)O.Br","ZQOLRYVNSGJZLU-UHFFFAOYSA-N","370029",NA,"PDBC45307","642595","Present"
-"NSC642606","","","","","","","","","","","","","","","","","","","","NSC642606","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CC(=O)NC2=CC=C(C=C2)NC(=O)C(=NNS(=O)(=O)C3=CC=C(C=C3)C)C","BDZXUBWQVBLGJZ-OQIGUVFWSA-N","5933761",NA,"PDBC45308","642606","Present"
-"NSC642607","","","","","","","","","","","","","","","","","","","","NSC642607","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=NNC(C)(C)C)C)C)C(=NNC(C)(C)C)C","MFAQJIFLGBBOEF-RNIAWFEPSA-N","54608127",NA,"PDBC45309","642607","Present"
-"NSC642608","","","","","","","","","","","","","","","","","","","","NSC642608","","CC(C)(C)NNC(=O)C(=CC1=CC=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=CC=C3","VEVTZLKZIRAXMS-HAHDFKILSA-N","20835240",NA,"PDBC45310","642608","Present"
-"NSC642610","","","","","","","","","","","","","","","","","","","","NSC642610","","CC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl.[Cl-]","NIVYZGVSWDMSIZ-SDKPGJOKSA-N","5479951",NA,"PDBC45311","642610","Present"
-"NSC642614","","","","","","","","","","","","","","","","","","","","NSC642614","","CC(=NNC(=O)C[N+](C)(C)C)CC(=O)NC1=CC(=C(C=C1)Cl)Cl.[Cl-]","JTYAWBZHXDFRSM-PEZBNFGJSA-N","5479953",NA,"PDBC45312","642614","Present"
-"NSC642616","","","","","","","","","","","","","","","","","","","","NSC642616","","CC(=NNC(=O)N)CC(=O)NC1=CC=C(C=C1)NC(=O)CC(=NNC(=O)N)C","FLJOTYONAANWLC-KGIZCEIGSA-N","5494331",NA,"PDBC45313","642616","Present"
-"NSC642619","","","","","","","","","","","","","","","","","","","","NSC642619","","CC(=NNC1=CC=CC=C1)CC(=O)NC2=CC=C(CC2)NC(=O)CC(=NNC3=CC=CC=C3)C","UCKBTAFGWWDQLK-NAZWXXJZSA-N","5465244",NA,"PDBC45314","642619","Present"
-"NSC642621","","","","","","","","","","","","","","","","","","","","NSC642621","","CN(C)C1=CC=C(C=C1)C=C(C2=CSC(=N2)C3=NC(=CS3)C(=CC4=CC=C(C=C4)N(C)C)C(=O)O)C(=O)O","DFPLOGZSKWHWDQ-JFMUQQRKSA-N","5466762",NA,"PDBC45315","642621","Present"
-"NSC642622","","","","","","","","","","","","","","","","","","","","NSC642622","","CN(C)NC(=O)C(=CC1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2","QAKXRYSWNQMJTD-VBKFSLOCSA-N","5466763",NA,"PDBC45316","642622","Present"
-"NSC642624","","","","","","","","","","","","","","","","","","","","NSC642624","","C1=CC=C(C=C1)C=CC=C(C2=CSC(=N2)C3=NC(=CS3)C(=CC=CC4=CC=CC=C4)C(=O)O)C(=O)O","UJBUSAZATHWVAW-AWKIKHLOSA-N","20842346",NA,"PDBC45317","642624","Present"
-"NSC642626","","","","","","","","","","","","","","","","","","","","NSC642626","","C1=CC=C2C(=C1)C=CC(=C2C=C(C3=CSC(=N3)C4=NC(=CS4)C(=CC5=C(C=CC6=CC=CC=C65)O)C(=O)O)C(=O)O)O","ZELYVHCGBCDGKF-RNIAWFEPSA-N","5466765",NA,"PDBC45318","642626","Present"
-"NSC642629","","","","","","","","","","","","","","","","","","","","NSC642629","","CC(=NN=C(N)N)CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]","JEPVFSULDWLVIM-APSNUPSMSA-N","5482018",NA,"PDBC45319","642629","Present"
-"NSC642633","","","","","","","","","","","","","","","","","","","","NSC642633","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=NN)C)C)C(=NN)C","JOWMEHSZVVZBJG-MZAUSLISSA-N","5465245",NA,"PDBC45320","642633","Present"
-"NSC642639","","","","","","","","","","","","","","","","","","","","NSC642639","","C1=CC=C(C=C1)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=C(C=C(C=C4)Cl)Cl)O","HITDSWDYKXJLFC-USHMODERSA-N","135499177",NA,"PDBC45321","642639","Present"
-"NSC642641","","","","","","","","","","","","","","","","","","","","NSC642641","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=S)NN)C=CC5=CC=C(C=C5)[N+](=O)[O-]","UCTQJUSXJJOHGL-UMXGGMDNSA-N","9571674",NA,"PDBC45322","642641","Present"
-"NSC642645","","","","","","","","","","","","","","","","","","","","NSC642645","","C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(=NNC(=S)N)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O","YVWYGUXNTNDZED-HMAPJEAMSA-N","135499179",NA,"PDBC45323","642645","Present"
-"NSC642647","","","","","","","","","","","","","","","","","","","","NSC642647","","COC1=C(C=C(C=C1)C(C(=NNC(=S)N)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)OC","VHKDCKMENDWRGL-HAHDFKILSA-N","135499180",NA,"PDBC45324","642647","Present"
-"NSC642648","","","","","","","","","","","","","","","","","","","","NSC642648","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=O)C2=CC=NC=C2)C=CC3=CC=C(C=C3)C=CC(=NNC(=O)C4=CC=NC=C4)C5=C(N=C(S5)NNC(=O)C)C","BWNGGFBCYGIXIZ-CYRDEODISA-N","135499181",NA,"PDBC45325","642648","Present"
-"NSC642651","","","","","","","","","","","","","","","","","","","","NSC642651","","CNN=C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(C3=CC=C(C=C3)C(C(=NNC)C4=NC5=C(C=C(C=C5)[N+](=O)[O-])NC4=O)O)O","JNUXSNRWICAODT-XEMPJQOTSA-N","135499182",NA,"PDBC45326","642651","Present"
-"NSC642653","","","","","","","","","","","","","","","","","","","","NSC642653","","C1=CC=C(C(=C1)C(C(=NC(=S)N)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O)Cl","XOPCLDNNUHWGRY-QRVIBDJDSA-N","135499183",NA,"PDBC45327","642653","Present"
-"NSC642708","","","","","","","","","","","","","","","","","","","","NSC642708","","CC(C)OC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1)O","KCSORUCCHDBUFQ-UHFFFAOYSA-N","54687027",NA,"PDBC45328","642708","Present"
-"NSC642738","","","","","","","","","","","","","","","","","","","","NSC642738","","CCOC(=O)C12C3CC(C1C(=O)C4C2O4)C=C3","QUZKKHIVDFVQBQ-PJJZCNKLSA-N","370140",NA,"PDBC45329","642738","Present"
-"NSC642901","","","","","","","","","","","","","","","","","","","","NSC642901","","C1C(C(OC1N2C=C(C(=O)NC2=O)OS(=O)(=O)C(F)(F)F)CO)O","VQYONSKKHOQOSV-UHFFFAOYSA-N","370161",NA,"PDBC45330","642901","Present"
-"NSC642924","","","","","","","","","","","","","","","","","","","","NSC642924","","C(CN(CCC(=O)O)CCC(=O)O)CN(CCC(=O)O)CCC(=O)O.Cl","ZCLNCQSSBLTACM-UHFFFAOYSA-N","370181",NA,"PDBC45331","642924","Present"
-"NSC642925","","","","","","","","","","","","","","","","","","","","NSC642925","","C(CCN(CCC(=O)O)CCC(=O)O)CN(CCC(=O)O)CCC(=O)O.Cl","BJKBEJBBAQBECG-UHFFFAOYSA-N","370183",NA,"PDBC45332","642925","Present"
-"NSC642930","","","","","","","","","","","","","","","","","","","","NSC642930","","CCOC(=O)C1C2CCOC2C3=C(N1)C=CC(=C3)Cl","GHKJKXIMOFTAGT-XDTLVQLUSA-N","370189",NA,"PDBC45333","642930","Present"
-"NSC642931","","","","","","","","","","","","","","","","","","","","NSC642931","","CCOC(=O)C1C2CCOC2C3=C(N1)C=CC(=C3)[N+](=O)[O-]","LMLJICUYWXELEL-SKGBEAKQSA-N","370190",NA,"PDBC45334","642931","Present"
-"NSC642932","","","","","","","","","","","","","","","","","","","","NSC642932","","CCOC(=O)C1C2CCOC2C3=CC=CC=C3N1","YDUVBBPJXPHEIM-RDWQBYKPSA-N","370191",NA,"PDBC45335","642932","Present"
-"NSC642935","","","","","","","","","","","","","","","","","","","","NSC642935","","CCOC(=O)C1C2CCOC2C3=C(N1)C(=CC=C3)[N+](=O)[O-]","LSBZGHKWZHJEQW-TVYUQYBPSA-N","370194",NA,"PDBC45336","642935","Present"
-"NSC642936","","","","","","","","","","","","","","","","","","","","NSC642936","","CCOC(=O)C1C2CC3=CC=CC=C3C2C4=C(N1)C=CC(=C4)C","ZOAXSKNXGODNLZ-KVZIAJEVSA-N","370195",NA,"PDBC45337","642936","Present"
-"NSC642937","","","","","","","","","","","","","","","","","","","","NSC642937","","CCOC(=O)C1C2CC3=CC=CC=C3C2C4=C(N1)C=CC(=C4)O","VKIFYMRBLHCVQC-VJFUWPCTSA-N","370196",NA,"PDBC45338","642937","Present"
-"NSC642938","","","","","","","","","","","","","","","","","","","","NSC642938","","CCOC(=O)C1C2CC3=CC=CC=C3C2C4=CC=CC=C4N1","AMIRNFOXZZCGBG-VJFUWPCTSA-N","370197",NA,"PDBC45339","642938","Present"
-"NSC642939","","","","","","","","","","","","","","","","","","","","NSC642939","","CCOC(=O)C1C2CC3=CC=CC=C3C2C4=C(N1)C=CC(=C4)OC","AAHKFWHWVBZUCP-KVZIAJEVSA-N","370198",NA,"PDBC45340","642939","Present"
-"NSC642940","","","","","","","","","","","","","","","","","","","","NSC642940","","CCOC(=O)C1C2CC3=CC=CC=C3C2C4=C(N1)C=CC(=C4)[N+](=O)[O-]","CXZFJVXIIXNXKO-VJFUWPCTSA-N","370199",NA,"PDBC45341","642940","Present"
-"NSC642941","","","","","","","","","","","","","","","","","","","","NSC642941","","C1C2C(C3=CC=CC=C31)C4=C(C=CC(=C4)Cl)NC2C(=O)C5=CC=CC=C5","XUTQDVBWBVTKPY-VTLFHKLASA-N","370200",NA,"PDBC45342","642941","Present"
-"NSC642942","","","","","","","","","","","","","","","","","","","","NSC642942","","CCOC(=O)C1C2CC3=CC=CC=C3C2C4=C(N1)C(=CC=C4)[N+](=O)[O-]","IRTZTCMYCUEHMN-PVARCSIZSA-N","370201",NA,"PDBC45343","642942","Present"
-"NSC642943","","","","","","","","","","","","","","","","","","","","NSC642943","","CCOC(=O)C1=[NH+]C2=C(C=C(C=C2)OC)C3=C1CC4=CC=CC=C43","QVGVPRHPKGQJCM-UHFFFAOYSA-O","24202360",NA,"PDBC45344","642943","Present"
-"NSC642944","","","","","","","","","","","","","","","","","","","","NSC642944","","CCOC(=O)C1=[NH+]C2=C(C=C(C=C2)Cl)C3=C1CC4=CC=CC=C43","RNWPZTFMLYNAEU-UHFFFAOYSA-O","24202361",NA,"PDBC45345","642944","Present"
-"NSC642945","","","","","","","","","","","","","","","","","","","","NSC642945","","C1C2=CC=CC=C2C3=C1C(=[NH+]C4=C3C=C(C=C4)Cl)C(=O)C5=CC=CC=C5","XSOHPQNWZGFDPR-UHFFFAOYSA-O","24202362",NA,"PDBC45346","642945","Present"
-"NSC642956","","","","","","","","","","","","","","","","","","","","NSC642956","","C1C2C(C3=C(C=NC=C3)NC2C(=O)C4=CC=CC=C4)C5=CC=CC=C51","MABJQSJTJDPFNQ-MNLRITNHSA-N","370212",NA,"PDBC45347","642956","Present"
-"NSC642957","","","","","","","","","","","","","","","","","","","","NSC642957","","C1CC2C(C1)C3=C(C=CC(=C3)Cl)NC2C(=O)C4=CC=CC=C4","POUGHTRFAOSGNI-DAYGRLMNSA-N","370213",NA,"PDBC45348","642957","Present"
-"NSC642958","","","","","","","","","","","","","","","","","","","","NSC642958","","CCOC(=O)C1C2CCCC2C3=C(N1)C=CC(=C3)Cl","XDXFRRBUKGOJKG-WDMOLILDSA-N","370214",NA,"PDBC45349","642958","Present"
-"NSC642959","","","","","","","","","","","","","","","","","","","","NSC642959","","CCOC(=O)C1C2C(C3=CC=CC=C3O2)C4=C(N1)C=CC(=C4)Cl","WEXSPHCAMRHHNV-IXDOHACOSA-N","370215",NA,"PDBC45350","642959","Present"
-"NSC642960","","","","","","","","","","","","","","","","","","","","NSC642960","","C1CC2C(C3=C(C=CC(=C3)Cl)NC2C(=O)C4=CC=CC=C4)OC1","BDGAMEFZKMBGBT-FNHZYXHNSA-N","370216",NA,"PDBC45351","642960","Present"
-"NSC642962","","","","","","","","","","","","","","","","","","","","NSC642962","","COC1(C(C2CCOC2O1)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","UCARDUKNNKSRCJ-MSRNWOCLSA-N","6711813",NA,"PDBC45352","642962","Present"
-"NSC642963","","","","","","","","","","","","","","","","","","","","NSC642963","","C1C(C2=C(C=CC(=C2)Cl)NC1C(=O)C3=CC=CC=C3)SC4=CC=CC=C4","LJXFQIJOTMTCOP-SFTDATJTSA-N","370219",NA,"PDBC45353","642963","Present"
-"NSC642965","","","","","","","","","","","","","","","","","","","","NSC642965","","C1=CC=C(C=C1)C(=O)C2C3C(C4=CC=CC=C4O3)C5=C(N2)C=CC(=C5)Cl","YJCAMRNHQWFCNL-KCZVDYSFSA-N","370221",NA,"PDBC45354","642965","Present"
-"NSC643004","","","","","","","","","","","","","","","","","","","","NSC643004","","CC12C3=CC=CC=C3[Se]C1(C4=CC=CC=C4[Se]2)C","PUEJUYUFIJNYRH-HOTGVXAUSA-N","370235",NA,"PDBC45355","643004","Present"
-"NSC643120","","","","","","","","","","","","","","","","","","","","NSC643120","","","","",NA,"PDBC45356","643120","Present"
-"NSC643121","","","","","","","","","","","","","","","","","","","","NSC643121","","","","",NA,"PDBC45357","643121","Present"
-"NSC643122","","","","","","","","","","","","","","","","","","","","NSC643122","","","","",NA,"PDBC45358","643122","Present"
-"NSC643133","","","","","","","","","","","","","","","","","","","","NSC643133","","C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3","CFOUQRQVAWHVTI-HKWRFOASSA-N","5466801",NA,"PDBC45359","643133","Present"
-"NSC643412","","","","","","","","","","","","","","","","","","","","NSC643412","","","","",NA,"PDBC45360","643412","Present"
-"NSC643414","","","","","","","","","","","","","","","","","","","","NSC643414","","CC1CC2C(C3=C1C4=CC=CC=C4N3C)C(=O)NC2=O","MYMVOVGXMLVFPL-HLGRJFAPSA-N","370351",NA,"PDBC45361","643414","Present"
-"NSC643415","","","","","","","","","","","","","","","","","","","","NSC643415","","CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC(=CC=C5)OC","CZRACNQNAQNBFL-MEUUCOCJSA-N","370352",NA,"PDBC45362","643415","Present"
-"NSC643416","","","","","","","","","","","","","","","","","","","","NSC643416","","CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=C(C=C5)OC","WCKFQFJHMVYTQQ-MEUUCOCJSA-N","370353",NA,"PDBC45363","643416","Present"
-"NSC643419","","","","","","","","","","","","","","","","","","","","NSC643419","","COC(=O)C1C2C(CC3=C1NC4=CC=CC=C34)C5=CC=CC=C5NC2=O","JSHAFXTUJJAOGX-BVGQSLNGSA-N","370356",NA,"PDBC45364","643419","Present"
-"NSC643423","","","","","","","","","","","","","","","","","","","","NSC643423","","CC1(C2=CC=CC=C2N3C1(C4C(O3)C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C","MCCHWVUZEMUSLZ-SGNGHUOJSA-N","370360",NA,"PDBC45365","643423","Present"
-"NSC643424","","","","","","","","","","","","","","","","","","","","NSC643424","","C1C=CC2C1C(C(=O)N2O)C3=CC=C(C=C3)Cl","OTCWQBFEIBDCTF-TUAOUCFPSA-N","6711815",NA,"PDBC45366","643424","Present"
-"NSC643425","","","","","","","","","","","","","","","","","","","","NSC643425","","C1C=CC2C1C(C(=O)N2O)C3=CC=C(C=C3)C(=O)O","IBJUNFZFIQHTSG-TUAOUCFPSA-N","6711816",NA,"PDBC45367","643425","Present"
-"NSC643426","","","","","","","","","","","","","","","","","","","","NSC643426","","C1CC2C(C1)NC(=O)C2C3=CC=C(C=C3)Cl","PBXPNMCDHLHTPN-TUAOUCFPSA-N","6711817",NA,"PDBC45368","643426","Present"
-"NSC643427","","","","","","","","","","","","","","","","","","","","NSC643427","","C1CC2C(C1)NC(=O)C2C3=CC=C(C=C3)N","WQJFEZCFBOSBHC-GRYCIOLGSA-N","6711818",NA,"PDBC45369","643427","Present"
-"NSC643516","","","","","","","","","","","","","","","","","","","","NSC643516","","COC1=CC2=C(C=C1)NC(=O)C2CCN.Cl","KOGOLQYANYFEAH-UHFFFAOYSA-N","370417",NA,"PDBC45370","643516","Present"
-"NSC643518","","","","","","","","","","","","","","","","","","","","NSC643518","","C1CNC(C12C3=CC=CC=C3NC2=O)CC4=CC=CC=C4.Cl","GZTYVJZUJXBFHN-UHFFFAOYSA-N","370420",NA,"PDBC45371","643518","Present"
-"NSC643519","","","","","","","","","","","","","","","","","","","","NSC643519","","CN1CCC2=C(CC1)NC3=C2C=C(C=C3)OC.I","JVPHJJFMBSPZQH-UHFFFAOYSA-N","370422",NA,"PDBC45372","643519","Present"
-"NSC643731","","","","","","","","","","","","","","","","","","","","NSC643731","","CCCC1CC2CCCCN2C3N1CCC3","LYCOMYYBFDXJFS-ILMHWDKJSA-N","370510",NA,"PDBC45373","643731","Present"
-"NSC643773","","","","","","","","","","","","","","","","","","","","NSC643773","","CCN(CC)C(=CC1=CC=C(C=C1)C(=O)OC)C(=O)OCC","OYJBPOYZDVQSCS-QINSGFPZSA-N","5466823",NA,"PDBC45374","643773","Present"
-"NSC643775","","","","","","","","","","","","","","","","","","","","NSC643775","","CCN(CC)C(=CC1=CC=CC=C1)C(=O)OCC","OGXGGCUNOIPZKY-OWBHPGMISA-N","5466824",NA,"PDBC45375","643775","Present"
-"NSC643776","","","","","","","","","","","","","","","","","","","","NSC643776","","CCN(CC)C(=CC1=CC=C(C=C1)OC)C(=O)OCC","PAYJFZVHXZZMEN-QINSGFPZSA-N","5466825",NA,"PDBC45376","643776","Present"
-"NSC643777","","","","","","","","","","","","","","","","","","","","NSC643777","","CCN(CC)C(=CC1=CC(=CC=C1)OC)C(=O)OCC","QMWCGAYAQAFDDW-QINSGFPZSA-N","5466826",NA,"PDBC45377","643777","Present"
-"NSC643779","","","","","","","","","","","","","","","","","","","","NSC643779","","CCN(CC)C(=CC1=CC=C(C=C1)C#N)C(=O)OCC","VRZXPTVDPMRBJL-PTNGSMBKSA-N","5466828",NA,"PDBC45378","643779","Present"
-"NSC643780","","","","","","","","","","","","","","","","","","","","NSC643780","","CCN(CC)C(=CC1=CC(=CC=C1)C#N)C(=O)OCC","PQJFAHXZEQGRDI-PTNGSMBKSA-N","5466829",NA,"PDBC45379","643780","Present"
-"NSC643781","","","","","","","","","","","","","","","","","","","","NSC643781","","CCN(CC)C(=CC1=CC=C(C=C1)Cl)C(=O)OCC","SDUDDSUANBGCCP-KAMYIIQDSA-N","5466830",NA,"PDBC45380","643781","Present"
-"NSC643782","","","","","","","","","","","","","","","","","","","","NSC643782","","CCN(CC)C(=CC1=CC(=CC=C1)Cl)C(=O)OCC","QJQWJWBCJJHSDE-KAMYIIQDSA-N","5466831",NA,"PDBC45381","643782","Present"
-"NSC643783","","","","","","","","","","","","","","","","","","","","NSC643783","","CCN(CC)C(=CC1=CC=C(C=C1)C(F)(F)F)C(=O)OCC","KNECNOBGLUBBDQ-KAMYIIQDSA-N","5466832",NA,"PDBC45382","643783","Present"
-"NSC643786","","","","","","","","","","","","","","","","","","","","NSC643786","","COC1C(=[N+]=[N-])C(=O)NC(=O)N1C2C(C(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)O","WCAMXIYMDLPOGZ-UHFFFAOYSA-N","370559",NA,"PDBC45383","643786","Present"
-"NSC643788","","","","","","","","","","","","","","","","","","","","NSC643788","","CCOC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","ZQTYBMPVJXKDAO-UHFFFAOYSA-N","370562",NA,"PDBC45384","643788","Present"
-"NSC643790","","","","","","","","","","","","","","","","","","","","NSC643790","","CC(C)(C)N=NNC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","AFMJAEUQGBFPRD-UHFFFAOYSA-N","370564",NA,"PDBC45385","643790","Present"
-"NSC643806","","","","","","","","","","","","","","","","","","","","NSC643806","","","","",NA,"PDBC45386","643806","Present"
-"NSC643807","","","","","","","","","","","","","","","","","","","","NSC643807","","","","",NA,"PDBC45387","643807","Present"
-"NSC643808","","","","","","","","","","","","","","","","","","","","NSC643808","","","","",NA,"PDBC45388","643808","Present"
-"NSC643809","","","","","","","","","","","","","","","","","","","","NSC643809","","","","",NA,"PDBC45389","643809","Present"
-"NSC643810","","","","","","","","","","","","","","","","","","","","NSC643810","","","","",NA,"PDBC45390","643810","Present"
-"NSC643811","","","","","","","","","","","","","","","","","","","","NSC643811","","","","",NA,"PDBC45391","643811","Present"
-"NSC643826","","","","","","","","","","","","","","","","","","","","NSC643826","","CCCCCCCCCCCCCCCCCCN(C)C(COC)COP(=O)([O-])OCC[N+](C)(C)C","QISJQFBOXNKZNQ-UHFFFAOYSA-N","131966",NA,"PDBC45392","643826","Present"
-"NSC643827","","","","","","","","","","","","","","","","","","","","NSC643827","","CCCCCCCCCCCCCCCCCCN(C)CC(COC)OP(=O)([O-])OCC[N+](C)(C)C","MAWNMMWIOFZBOQ-UHFFFAOYSA-N","131972",NA,"PDBC45393","643827","Present"
-"NSC643926","","","","","","","","","","","","","","","","","","","","NSC643926","","C1COC(C(OCCOCCOC(C(OCCO1)C(=O)O)C(=O)O)C(=O)O)C(=O)O","FZERLKNAJSFDSQ-HBIQZDMRSA-N","370633",NA,"PDBC45394","643926","Present"
-"NSC643980","","","","","","","","","","","","","","","","","","","","NSC643980","","CCN(CC)CCC1(CCC(=O)NC1=O)C2CCCCC2.Cl","JYGBBABSCNERDS-UHFFFAOYSA-N","370637",NA,"PDBC45395","643980","Present"
-"NSC643994","","","","","","","","","","","","","","","","","","","","NSC643994","","CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)Cl)SCCN.Cl","IGQZISVALMQTQZ-UHFFFAOYSA-N","370645",NA,"PDBC45396","643994","Present"
-"NSC643995","","","","","","","","","","","","","","","","","","","","NSC643995","","CN1CC(=CC=CC2=CC=CC=C2)C(=O)C(=CC=CC3=CC=CC=C3)C1.Cl","SHXWTFRPCPCFJE-IYHCZGHNSA-N","54608087",NA,"PDBC45397","643995","Present"
-"NSC644068","","","","","","","","","","","","","","","","","","","","NSC644068","","C1CC2N(C1)C(C(O2)C3=CC=NC=C3)C4=CC=NC=C4","YMIAQOQJRCPDAS-QMRHZFGWSA-N","370681",NA,"PDBC45398","644068","Present"
-"NSC644069","","","","","","","","","","","","","","","","","","","","NSC644069","","C1CC2C(=O)OC(N2C1)C(Cl)(Cl)Cl","GWQBXRYSVSZLSL-BAFYGKSASA-N","6711823",NA,"PDBC45399","644069","Present"
-"NSC64408","","","","","","","","","","","","","","","","","","","","NSC64408","","C[N+](C)(C)CC(=O)NN=CC1=C(C=CC2=CC=CC=C21)O.[Cl-]","LRMFJULEJLMCAY-UHFFFAOYSA-N","135422187",NA,"PDBC45400","64408","Present"
-"NSC644188","","","","","","","","","","","","","","","","","","","","NSC644188","","","","",NA,"PDBC45401","644188","Present"
-"NSC644189","","","","","","","","","","","","","","","","","","","","NSC644189","","","","",NA,"PDBC45402","644189","Present"
-"NSC644190","","","","","","","","","","","","","","","","","","","","NSC644190","","","","",NA,"PDBC45403","644190","Present"
-"NSC644191","","","","","","","","","","","","","","","","","","","","NSC644191","","","","",NA,"PDBC45404","644191","Present"
-"NSC644210","","","","","","","","","","","","","","","","","","","","NSC644210","","CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC=C)C)C)C(C)C)C","XIYSEKITPHTMJT-WYTZBOCLSA-N","370709",NA,"PDBC45405","644210","Present"
-"NSC644218","","","","","","","","","","","","","","","","","","","","NSC644218","","CN(C)CCNC(=O)CN1C=C(C(=O)C2=CC=CC=C21)[N+](=O)[O-].Cl","QYSGHGPKVHHBJO-UHFFFAOYSA-N","370716",NA,"PDBC45406","644218","Present"
-"NSC644220","","","","","","","","","","","","","","","","","","","","NSC644220","","CN(C)CCNC(=O)C1=C2C(=CC=C1)OC3=C(C=CC=C3O2)[N+](=O)[O-].Cl","ZFHOALCHKWZLGC-UHFFFAOYSA-N","370719",NA,"PDBC45407","644220","Present"
-"NSC644221","","","","","","","","","","","","","","","","","","","","NSC644221","","CN(C)CCNC(=O)C1=C2C(=CC=C1)OC3=CC=CC(=C3O2)[N+](=O)[O-].Cl","XUIFJAMZXWXRLO-UHFFFAOYSA-N","370721",NA,"PDBC45408","644221","Present"
-"NSC644226","","","","","","","","","","","","","","","","","","","","NSC644226","","CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)N2CC3CC2C=C3","JCBOOAVKBRDYMB-GUMHCPJTSA-N","6711826",NA,"PDBC45409","644226","Present"
-"NSC644275","","","","","","","","","","","","","","","","","","","","NSC644275","","COC(=O)C(=C1CC1COCC2=CC=CC=C2)Cl","JVIKDNHESWBKRY-OUKQBFOZSA-N","5867163",NA,"PDBC45410","644275","Present"
-"NSC644276","","","","","","","","","","","","","","","","","","","","NSC644276","","CC12CCC(=O)N1C(C(O2)C3=CC=CC=C3)C4=CC=CC=C4","ZLBSOYZDIUTUEO-PAMZHZACSA-N","370753",NA,"PDBC45411","644276","Present"
-"NSC644277","","","","","","","","","","","","","","","","","","","","NSC644277","","CC12C3CC3(C(=O)N1C(C(O2)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6","COQHVGKKFNVPQW-SHVOXXEISA-N","370754",NA,"PDBC45412","644277","Present"
-"NSC644278","","","","","","","","","","","","","","","","","","","","NSC644278","","COC1=C(C=C(C=C1)C2=NC(C(O2)C3=CC=CC=C3)CO)OC","VVQQEIOHGUNKLA-JRZJBTRGSA-N","370755",NA,"PDBC45413","644278","Present"
-"NSC644279","","","","","","","","","","","","","","","","","","","","NSC644279","","C1CC2=CC=CC=C2C3(C1CC=O)CCC(=O)CC3","AUNNUNDBVJGLSU-CQSZACIVSA-N","370756",NA,"PDBC45414","644279","Present"
-"NSC644283","","","","","","","","","","","","","","","","","","","","NSC644283","","C1C2C=CC3=CC=CC=C3C24CC(C1O)C(=O)C=C4","SKLAXNYRVQGISN-PSPNYPNSSA-N","6711827",NA,"PDBC45415","644283","Present"
-"NSC644292","","","","","","","","","","","","","","","","","","","","NSC644292","","CC(C)(C)C(COC)N=CN1CCC2=CC(=C(C=C2C1)OC)OC","PCRRABGRVUXJCO-GOSISDBHSA-N","370769",NA,"PDBC45416","644292","Present"
-"NSC644294","","","","","","","","","","","","","","","","","","","","NSC644294","","CC1C2=CC(=C(C=C2CCN1C=NC(COC)C(C)(C)C)OC)OC","CUMIWCFBUYWGMR-IFXJQAMLSA-N","370771",NA,"PDBC45417","644294","Present"
-"NSC644296","","","","","","","","","","","","","","","","","","","","NSC644296","","CC(COC)N=CN1CCC2=CC=CC=C2C1(CC3=CC=CC=C3)CC4=CC=CC=C4","SMCUCTRIHYCKIK-QHCPKHFHSA-N","5466843",NA,"PDBC45418","644296","Present"
-"NSC644299","","","","","","","","","","","","","","","","","","","","NSC644299","","CC(C)C1COC2(N1C(=O)CC2)C","NUUDVADIQSLTCN-LHIURRSHSA-N","370776",NA,"PDBC45419","644299","Present"
-"NSC644300","","","","","","","","","","","","","","","","","","","","NSC644300","","CC1CC(=O)N2C(COC2O1)C(C)C","JVVDCSIOVVWLMN-NQMVMOMDSA-N","6711828",NA,"PDBC45420","644300","Present"
-"NSC644304","","","","","","","","","","","","","","","","","","","","NSC644304","","CC(C(C1=CC=CC=C1)OC)N(C)C2=C(C3=CC=CC=C3C=C2)C4=NC(CO4)(C)C","CDHFWSOYAGMZTI-UUOWRZLLSA-N","5466844",NA,"PDBC45421","644304","Present"
-"NSC644312","","","","","","","","","","","","","","","","","","","","NSC644312","","CC(C)C1COC2(N1C(=O)C3C2CN(C3)CC4=CC=CC=C4)C","UEVPYIDZJWMMTF-DODZYUBVSA-N","370789",NA,"PDBC45422","644312","Present"
-"NSC644313","","","","","","","","","","","","","","","","","","","","NSC644313","","C1=C(NNC(=N1)C(=O)O)C(=O)O.[Na+]","PPCMOAHRXQTLTF-UHFFFAOYSA-N","54608861",NA,"PDBC45423","644313","Present"
-"NSC644316","","","","","","","","","","","","","","","","","","","","NSC644316","","CC1=CC(=O)N2C(COC2O1)C(C)C","NMWNOZRZCVJUBI-PSASIEDQSA-N","370794",NA,"PDBC45424","644316","Present"
-"NSC644317","","","","","","","","","","","","","","","","","","","","NSC644317","","CC1=CC(=O)N2C(COC2O1)C3=CC=CC=C3","FDKKMTOWLKNJKX-JTDNENJMSA-N","370795",NA,"PDBC45425","644317","Present"
-"NSC644320","","","","","","","","","","","","","","","","","","","","NSC644320","","COC1=CC2=C(C=C1)C3CC(=O)C4=C(N3CC2)CCC4","KBRJFNHWAHLRLW-INIZCTEOSA-N","370798",NA,"PDBC45426","644320","Present"
-"NSC644323","","","","","","","","","","","","","","","","","","","","NSC644323","","CC1=CC=C(C=C1)S(=O)(=O)ONN=C2C3CCCCC3C4C2O4","AVTXTHBQNZOKPF-CCQISHGCSA-N","50990881",NA,"PDBC45427","644323","Present"
-"NSC644335","","","","","","","","","","","","","","","","","","","","NSC644335","","CN1CC2CC(=O)CCC2CC1C#N","NHACCUQFWWCSRQ-UTLUCORTSA-N","370814",NA,"PDBC45428","644335","Present"
-"NSC644458","","","","","","","","","","","","","","","","","","","","NSC644458","","","","",NA,"PDBC45429","644458","Present"
-"NSC644576","","","","","","","","","","","","","","","","","","","","NSC644576","","CC12C3CCCC1C(C(=O)N2CC3)OC(=O)C(C4=CC=CC=C4)OC","WZYASLSZPJTLDO-SSIICEJASA-N","370854",NA,"PDBC45430","644576","Present"
-"NSC644577","","","","","","","","","","","","","","","","","","","","NSC644577","","CC12C3CCC1C(C(=O)N2CC3)OC(=O)C(C4=CC=CC=C4)OC","XTAGYWVBMDSJKJ-FJGTUQKNSA-N","370855",NA,"PDBC45431","644577","Present"
-"NSC644581","","","","","","","","","","","","","","","","","","","","NSC644581","","C1=CC=C2C(=C1)C(=CN2)C=NN=C(N)N.[N+](=O)(O)[O-]","JVXJIWHVLOMLFD-JSSTZBRYSA-N","135400444",NA,"PDBC45432","644581","Present"
-"NSC644583","","","","","","","","","","","","","","","","","","","","NSC644583","","COC1=CC=CC=C1N=C(N)NN=CC2=CNC3=CC=CC=C32.I","XZOWANRPJRGFLH-DOELHFPHSA-N","135499199",NA,"PDBC45433","644583","Present"
-"NSC644620","","","","","","","","","","","","","","","","","","","","NSC644620","","CC1C(OC(O1)C2=C3CC(OC3=C4C(=C2OC)C(=O)C5=CC=CC=C5C4=O)(C)C)C","DEYWFKTUCIHOIW-CSJRNEBKSA-N","370885",NA,"PDBC45434","644620","Present"
-"NSC644621","","","","","","","","","","","","","","","","","","","","NSC644621","","CCOC(=O)NC1=NC(=C2C(=C1)N=NC(=N2)C3=CC=CC=C3)N.Cl","UVLPMTXQNNNGMF-UHFFFAOYSA-N","370886",NA,"PDBC45435","644621","Present"
-"NSC644623","","","","","","","","","","","","","","","","","","","","NSC644623","","CC12C3CC3C(=O)N1C(CO2)C(C)(C)C","VHHFGAMGEDDOHE-FNOROQBZSA-N","370889",NA,"PDBC45436","644623","Present"
-"NSC644624","","","","","","","","","","","","","","","","","","","","NSC644624","","CC(C)(C)C1COC2(N1C(=O)C3C2C3)C4=CC=CC=C4","KJJCIIDTTZABRV-ZOMKSWQUSA-N","370890",NA,"PDBC45437","644624","Present"
-"NSC644638","","","","","","","","","","","","","","","","","","","","NSC644638","","CC1=CC(=C(C(=C1)C)C(=O)C=CC2=CC=CC=C2)C","FLJAEHNSTVEODG-MDZDMXLPSA-N","5355477",NA,"PDBC45438","644638","Present"
-"NSC644700","","","","","","","","","","","","","","","","","","","","NSC644700","","CC1(C2=CC=CC=C2C3(N(C1=O)C(C(O3)C4=CC=CC=C4)CO)C)CC5=CC=CC=C5","CQKFCMLVEDQLFU-DYSSBXOZSA-N","6711832",NA,"PDBC45439","644700","Present"
-"NSC644729","","","","","","","","","","","","","","","","","","","","NSC644729","","COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)C(=NNC(=S)NN)C4=CC=C(C=C4)OC","FAEGECRBIMIFGK-WEMUOSSPSA-N","5465292",NA,"PDBC45440","644729","Present"
-"NSC644731","","","","","","","","","","","","","","","","","","","","NSC644731","","C1=COC(=C1)C(C(=NN=C(N)N)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O","GOKLMCLPXMCDON-JAIQZWGSSA-N","135499202",NA,"PDBC45441","644731","Present"
-"NSC644733","","","","","","","","","","","","","","","","","","","","NSC644733","","C[N+](C)(C)CC(=O)NN=C(CC1C2=CC=CC=C2C(=O)O1)C=CC3=CC=CC=C3.[Cl-]","FLJFVKXQRCIOIQ-OAMSFDQWSA-N","6474140",NA,"PDBC45442","644733","Present"
-"NSC644736","","","","","","","","","","","","","","","","","","","","NSC644736","","CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=NNC(=S)NN)C2C(=O)NC(=S)S2","DIFVXQFVTKOSRM-QGMBQPNBSA-N","9571677",NA,"PDBC45443","644736","Present"
-"NSC644749","","","","","","","","","","","","","","","","","","","","NSC644749","","CC(C)(C)NN=C(CC1=C(C(=O)C=CO1)O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","XVOMJAHJARLQPW-UDWIEESQSA-N","5465297",NA,"PDBC45444","644749","Present"
-"NSC644763","","","","","","","","","","","","","","","","","","","","NSC644763","","COC(=O)C(C1=NC2=CC=CC=C2N=C1)C(=NNC(=S)N)C(=O)NC3=CC=CC=C3[N+](=O)[O-]","GJKKDQNOEGHAPX-KOEQRZSOSA-N","5465298",NA,"PDBC45445","644763","Present"
-"NSC644777","","","","","","","","","","","","","","","","","","","","NSC644777","","CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C=CC4=CC=CC=C4)C","YHYNNFTUUWTGOF-FYWRMAATSA-N","5805325",NA,"PDBC45446","644777","Present"
-"NSC644789","","","","","","","","","","","","","","","","","","","","NSC644789","","C1=CC=C(C=C1)C=CC(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N","NADTWEFFTYQYFR-JLHYYAGUSA-N","6014280",NA,"PDBC45447","644789","Present"
-"NSC644796","","","","","","","","","","","","","","","","","","","","NSC644796","","C1=CC=C(C=C1)C=CC(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","OELAZIOOJNXHDH-JLHYYAGUSA-N","6148734",NA,"PDBC45448","644796","Present"
-"NSC644813","","","","","","","","","","","","","","","","","","","","NSC644813","","C1=CC2=C(C=CN=C2C=C1Cl)NCCCO.Cl","HDXWQPXSGNPLBG-UHFFFAOYSA-N","370994",NA,"PDBC45449","644813","Present"
-"NSC644861","","","","","","","","","","","","","","","","","","","","NSC644861","","C(CO)C1C(=O)N(C(=NN=C2N(C(=O)C(S2)CCO)N)S1)N","IXGCXOQYZIQOOT-UTLPMFLDSA-N","5465300",NA,"PDBC45450","644861","Present"
-"NSC644930","","","","","","","","","","","","","","","","","","","","NSC644930","","","","",NA,"PDBC45451","644930","Present"
-"NSC645016","","","","","","","","","","","","","","","","","","","","NSC645016","","COC1=C(C=C2C3C(CSC(=NC4=CC=CC=C4)N3CCC2=C1)COC(=O)C5=CC=CC=C5)OC","BINHNFLHRHWFOO-ZTDHTWSHSA-N","371073",NA,"PDBC45452","645016","Present"
-"NSC645154","","","","","","","","","","","","","","","","","","","","NSC645154","","CN(C)CCCSC1=C2C=CC(=CC2=NC3=CC=CC=C31)NCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CNC6=CC7=NC8=CC=CC=C8C(=C7C=C6)SCCCN(C)C.Br","HHFPKSRHJZTLHW-UHFFFAOYSA-N","371150",NA,"PDBC45453","645154","Present"
-"NSC645155","","","","","","","","","","","","","","","","","","","","NSC645155","","CCN(CC)CCSC1=C2C=CC(=CC2=NC3=CC=CC=C31)NCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CNC6=CC7=NC8=CC=CC=C8C(=C7C=C6)SCCN(CC)CC.Br","QOXHZSRGDSMVJI-UHFFFAOYSA-N","371152",NA,"PDBC45454","645155","Present"
-"NSC645156","","","","","","","","","","","","","","","","","","","","NSC645156","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CSC6=C7C=CC=CC7=NC8=CC=CC=C86.Cl","CAJUNKBDAWRKDF-UHFFFAOYSA-N","371154",NA,"PDBC45455","645156","Present"
-"NSC645243","","","","","","","","","","","","","","","","","","","","NSC645243","","CN1CCC2=CC(=C(C(=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)OC.Cl","IVDVBQQKZLQNDY-UHFFFAOYSA-N","371189",NA,"PDBC45456","645243","Present"
-"NSC645245","","","","","","","","","","","","","","","","","","","","NSC645245","","CN1CC2=CC(=C(C=C2CC1CC3=CC=C(C=C3)OC)OC)OC.Cl","JOVXOZPQBIESJA-UNTBIKODSA-N","371193",NA,"PDBC45457","645245","Present"
-"NSC645247","","","","","","","","","","","","","","","","","","","","NSC645247","","COC1=C(C=C2C3CC4=CC(=C(C=C4C(N3CC=C)CC2=C1)OC)OC)OC.Cl","PYQWOIMVLKFLCH-UHFFFAOYSA-N","371195",NA,"PDBC45458","645247","Present"
-"NSC645248","","","","","","","","","","","","","","","","","","","","NSC645248","","COC1=CC2=C(C=C1)C=CN=C2CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC.Cl","VJCGQTAIMQSXNH-UHFFFAOYSA-N","371197",NA,"PDBC45459","645248","Present"
-"NSC645249","","","","","","","","","","","","","","","","","","","","NSC645249","","COC1=CC=C(C=C1)CCC2C3=CC(=C(C=C3CCN2)OC)OC.Cl","LNEYNPJFOFIOSE-UHFFFAOYSA-N","371199",NA,"PDBC45460","645249","Present"
-"NSC645291","","","","","","","","","","","","","","","","","","","","NSC645291","","CCOC1=C(C=C2C=[N+](C3=C(C2=C1)C=CC4=CC(=C(C=C43)OC)OC)C)OC.[Cl-]","ROTFEXIKVVGHKI-UHFFFAOYSA-M","12237802",NA,"PDBC45461","645291","Present"
-"NSC645294","","","","","","","","","","","","","","","","","","","","NSC645294","","CC(C)OC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)[N+](=CC2=C1)C)OC.[Cl-]","KGWPPAWSVMBJNY-UHFFFAOYSA-M","371235",NA,"PDBC45462","645294","Present"
-"NSC645301","","","","","","","","","","","","","","","","","","","","NSC645301","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC=CC=C4C=C3)OC)OC.COC1=C(C=C2C3=C(C4=CC=CC=C4C=C3)N=CC2=C1)OC.CS(=O)(=O)[O-]","CEQNRGGKMAGHRS-UHFFFAOYSA-M","24202370",NA,"PDBC45463","645301","Present"
-"NSC645309","","","","","","","","","","","","","","","","","","","","NSC645309","","COC[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.[Cl-]","KCSLOPQAUBWCFA-UHFFFAOYSA-M","371250",NA,"PDBC45464","645309","Present"
-"NSC645311","","","","","","","","","","","","","","","","","","","","NSC645311","","CCOC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)[N+](=CC2=C1)C)OC.[Cl-]","XOPYVSLLERHMMU-UHFFFAOYSA-M","371253",NA,"PDBC45465","645311","Present"
-"NSC645322","","","","","","","","","","","","","","","","","","","","NSC645322","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)F","QCFYOWPDDDFAIZ-GOZJIAEGSA-N","371263",NA,"PDBC45466","645322","Present"
-"NSC645323","","","","","","","","","","","","","","","","","","","","NSC645323","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OC)C(=O)N(C3=O)C6=CC=CC=C6","GYDRQKXJGYPHAU-XQNJCCOYSA-N","371264",NA,"PDBC45467","645323","Present"
-"NSC645324","","","","","","","","","","","","","","","","","","","","NSC645324","","CC1CC2C(C3=C1C4=C(N3)C=CC(=C4)Br)C(=O)N(C2=O)C5=CC=CC=C5","YFXXSWVTLMFPCC-PSZVPEGOSA-N","6711862",NA,"PDBC45468","645324","Present"
-"NSC645325","","","","","","","","","","","","","","","","","","","","NSC645325","","CC1CC2C(C3=C1C4=C(N3)C=CC(=C4)OC)C(=O)N(C2=O)C5=CC=CC=C5","SFCLGEAVEWJOBM-GFJSAUFNSA-N","6711863",NA,"PDBC45469","645325","Present"
-"NSC645326","","","","","","","","","","","","","","","","","","","","NSC645326","","COC1=CC2=C(C=C1)NC3=C2C(CC4C3C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6","LNZROKSDUKWNAW-PTLVVNQVSA-N","6711864",NA,"PDBC45470","645326","Present"
-"NSC645332","","","","","","","","","","","","","","","","","","","","NSC645332","","C1CCC2(C1)C=CC3C2CC(=O)N3O","DYLMJNDPXVGSEE-RKDXNWHRSA-N","371273",NA,"PDBC45471","645332","Present"
-"NSC645333","","","","","","","","","","","","","","","","","","","","NSC645333","","C1CCC2(C1)CCC3C2CC(=O)N3","VAANWNTXWFGRRO-RKDXNWHRSA-N","371274",NA,"PDBC45472","645333","Present"
-"NSC645334","","","","","","","","","","","","","","","","","","","","NSC645334","","C1CC2(CC2)C3C1NC(=O)C3","UWUUUVYYOGWZAC-RNFRBKRXSA-N","371275",NA,"PDBC45473","645334","Present"
-"NSC645335","","","","","","","","","","","","","","","","","","","","NSC645335","","C1CC12C=CC3C2CC(=O)N3O","VJRHPGBNZIBWPQ-RNFRBKRXSA-N","371276",NA,"PDBC45474","645335","Present"
-"NSC645336","","","","","","","","","","","","","","","","","","","","NSC645336","","C1CC2C(C1)NC(=O)C2C3=CC=C(C=C3)C(=O)O","VEFQPHDAWAJLHX-WIKAKEFZSA-N","371277",NA,"PDBC45475","645336","Present"
-"NSC645343","","","","","","","","","","","","","","","","","","","","NSC645343","","CC1(C2(C3C(C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5O1)C6=CC=CC=C6)C","JEWILVCSPHLTRP-SGNGHUOJSA-N","371279",NA,"PDBC45476","645343","Present"
-"NSC645364","","","","","","","","","","","","","","","","","","","","NSC645364","","CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCNC(=O)C3=CC(=NN3C)C(=O)NCCNC4=CC=NC5=C(C=CC(=C45)[N+](=O)[O-])C.Cl","PPLRHWDYNPSVIE-UHFFFAOYSA-N","371286",NA,"PDBC45477","645364","Present"
-"NSC645365","","","","","","","","","","","","","","","","","","","","NSC645365","","CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCNC(=O)CN3C=CN=C3[N+](=O)[O-].Cl","NAQBRAJBBBOIBF-UHFFFAOYSA-N","371288",NA,"PDBC45478","645365","Present"
-"NSC645456","","","","","","","","","","","","","","","","","","","","NSC645456","","","","",NA,"PDBC45479","645456","Present"
-"NSC645457","","","","","","","","","","","","","","","","","","","","NSC645457","","","","",NA,"PDBC45480","645457","Present"
-"NSC645458","","","","","","","","","","","","","","","","","","","","NSC645458","","","","",NA,"PDBC45481","645458","Present"
-"NSC645459","","","","","","","","","","","","","","","","","","","","NSC645459","","","","",NA,"PDBC45482","645459","Present"
-"NSC645529","","","","","","","","","","","","","","","","","","","","NSC645529","","CC(=CC(=O)NC1=CC2=NNN=C2C=C1)NC3=CC4=NNN=C4C=C3","KBBODZMZDZWOMY-RMKNXTFCSA-N","6400237",NA,"PDBC45483","645529","Present"
-"NSC645548","","","","","","","","","","","","","","","","","","","","NSC645548","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C(C)C)C(C)C","WAKNHAAZJSALOV-UHFFFAOYSA-N","3000901",NA,"PDBC45484","645548","Present"
-"NSC645586","","","","","","","","","","","","","","","","","","","","NSC645586","","CC(=NOC(=O)NCCCCNC1=CC=C(C=C1)N=[N+]=[N-])SC","SBDWRKGQNVIDSW-YBFXNURJSA-N","5465325",NA,"PDBC45485","645586","Present"
-"NSC645592","","","","","","","","","","","","","","","","","","","","NSC645592","","CC(C(=O)N1CCS(=O)(=O)N2CCCC2C1=O)OCC3=CC=CC=C3","ZCYWSHFVUILJAE-ZFWWWQNUSA-N","6711871",NA,"PDBC45486","645592","Present"
-"NSC645593","","","","","","","","","","","","","","","","","","","","NSC645593","","CC(C(=O)N1CCS(=O)(=O)N2CCCC2C1=O)OCC3=CC=CC=C3","ZCYWSHFVUILJAE-DZGCQCFKSA-N","6711872",NA,"PDBC45487","645593","Present"
-"NSC645595","","","","","","","","","","","","","","","","","","","","NSC645595","","CC1C(=O)N2CCS(=O)(=O)N3CCCC3C2(O1)O","QOSWFGIZVQRPNU-VLCSVPMDSA-N","6711873",NA,"PDBC45488","645595","Present"
-"NSC645596","","","","","","","","","","","","","","","","","","","","NSC645596","","C1CC2C(=O)NCCS(=O)(=O)N2C1","OUQFUZFIBGFNNU-LURJTMIESA-N","371377",NA,"PDBC45489","645596","Present"
-"NSC645598","","","","","","","","","","","","","","","","","","","","NSC645598","","C1CC2C(=O)NCCS(=O)(=O)NC(C(=O)N2C1)CC3=CC=CCC3","DHKPLPGNTJLOOO-LSLKUGRBSA-N","6711874",NA,"PDBC45490","645598","Present"
-"NSC645599","","","","","","","","","","","","","","","","","","","","NSC645599","","CN(CCS(=O)(=O)N1C(C(=O)N2CCCC2C1=O)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","DIESXWLCOFVPSD-KEKNWZKVSA-N","6711875",NA,"PDBC45491","645599","Present"
-"NSC645600","","","","","","","","","","","","","","","","","","","","NSC645600","","CC1C2CC(=CC=NN2C1=O)C","ZYPOEMSYIBJTHU-GVHYBUMESA-N","6711876",NA,"PDBC45492","645600","Present"
-"NSC645608","","","","","","","","","","","","","","","","","","","","NSC645608","","C.C1CC(=CC2=CC=CC=C2)C3=C(C1)C(N4C(=N)CSC4=N3)C5=CC=CC=C5","UNXUYGHIJBOGKQ-UHMUBJTASA-N","5466908",NA,"PDBC45493","645608","Present"
-"NSC645611","","","","","","","","","","","","","","","","","","","","NSC645611","","CN1CC(=CC2=CC=C(C=C2)OC)C3=NC(=NC(=C3C1)C4=CC=C(C=C4)OC)N","WAORJFJYVMGYFJ-SFQUDFHCSA-N","5466910",NA,"PDBC45494","645611","Present"
-"NSC645613","","","","","","","","","","","","","","","","","","","","NSC645613","","C1CCCC2=NN(C(C2CC1)C3=CC=CC=C3)C(=S)N","LZUFXUCJBCSOMY-DZGCQCFKSA-N","5466912",NA,"PDBC45495","645613","Present"
-"NSC645614","","","","","","","","","","","","","","","","","","","","NSC645614","","C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CC=C4)C(=O)N","KAWVQCBEAFKMSA-MYJWUSKBSA-N","371396",NA,"PDBC45496","645614","Present"
-"NSC645615","","","","","","","","","","","","","","","","","","","","NSC645615","","C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CC=C4)C(=S)N","XYIXNDFQNMYLLB-RDJZCZTQSA-N","6711877",NA,"PDBC45497","645615","Present"
-"NSC645664","","","","","","","","","","","","","","","","","","","","NSC645664","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)NC2=CC=CC=C2Cl)NC(=O)C=CC3=CC=CC=C3","UCXOEEHGCNTFOT-VOEWBWLYSA-N","20835247",NA,"PDBC45498","645664","Present"
-"NSC645665","","","","","","","","","","","","","","","","","","","","NSC645665","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C=CC3=CC=CC=C3","YLYVLZVDFJTHKK-FTMGPJKFSA-N","20835251",NA,"PDBC45499","645665","Present"
-"NSC645666","","","","","","","","","","","","","","","","","","","","NSC645666","","CC1=CC=CC=C1NC(=O)NC(=CC2=C(C=C(C=C2)N(CCC#N)CCC#N)C)NC(=O)C=CC3=CC=CC=C3","QHWJIWNSRFWMHL-HIRHKNAPSA-N","5924982",NA,"PDBC45500","645666","Present"
-"NSC645667","","","","","","","","","","","","","","","","","","","","NSC645667","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(NC(=O)C=CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl","XMUIUYFREDNCMA-CHBBBDKJSA-N","5916788",NA,"PDBC45501","645667","Present"
-"NSC645668","","","","","","","","","","","","","","","","","","","","NSC645668","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)Cl","ZQAPNHCQDCNCNE-YKLJQQLISA-N","54600732",NA,"PDBC45502","645668","Present"
-"NSC645669","","","","","","","","","","","","","","","","","","","","NSC645669","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)OC","ANYLEUHRQYHCBG-YDNLAWQDSA-N","54608105",NA,"PDBC45503","645669","Present"
-"NSC645670","","","","","","","","","","","","","","","","","","","","NSC645670","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O","IKJYVGRMRXPKKI-YKLJQQLISA-N","54604817",NA,"PDBC45504","645670","Present"
-"NSC645671","","","","","","","","","","","","","","","","","","","","NSC645671","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)NC(=O)CC(=O)NC4=CC=CC=C4Cl","OYHYCFMEOHGKAO-FGCLTXMVSA-N","54608543",NA,"PDBC45505","645671","Present"
-"NSC645672","","","","","","","","","","","","","","","","","","","","NSC645672","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)NC(=O)CC(=O)NC4=CC=C(C=C4)OC","RZGXRQVOAHWPDM-YSPMFMDMSA-N","54608882",NA,"PDBC45506","645672","Present"
-"NSC645679","","","","","","","","","","","","","","","","","","","","NSC645679","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)NC(=O)C4=CC=C(C=C4)N=CC5=C(C=C(C=C5)N(CCC#N)S(=O)(=O)C)C","KQAJCNGYNOBAEW-OZNPBYHMSA-N","6517209",NA,"PDBC45507","645679","Present"
-"NSC645680","","","","","","","","","","","","","","","","","","","","NSC645680","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=NC2=CC=C(C=C2)C(=O)NN3C(=NC(=CC4=CC=C(C=C4)N(CCC#N)CCC#N)C3=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl","HJKNVQLTUYRFRO-FXBCGMJISA-N","5774088",NA,"PDBC45508","645680","Present"
-"NSC645744","","","","","","","","","","","","","","","","","","","","NSC645744","","CC1=C(C2=C(N=C(N(C2=O)C)SC)N(C1=O)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O","HYDFXZKWNJBCRQ-UHFFFAOYSA-N","54688598",NA,"PDBC45509","645744","Present"
-"NSC645745","","","","","","","","","","","","","","","","","","","","NSC645745","","CC1=C(C2=C(N=C(N(C2=O)C)SC)N(C1=O)C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)O","JJZKTUIJKAGXHH-UHFFFAOYSA-N","54688599",NA,"PDBC45510","645745","Present"
-"NSC645749","","","","","","","","","","","","","","","","","","","","NSC645749","","COC1=NC(=O)C=C(N1C2C(C(C(O2)CO)O)O)N","KVEUMDZWQCDKJU-UHFFFAOYSA-N","371475",NA,"PDBC45511","645749","Present"
-"NSC645786","","","","","","","","","","","","","","","","","","","","NSC645786","","C1=CC=C2C(=C1)C(=NCC3=CC=C(C=C3)Cl)NNS2(=O)=O","CVOBPHROGWOMCX-UHFFFAOYSA-N","135408922",NA,"PDBC45512","645786","Present"
-"NSC645788","","","","","","","","","","","","","","","","","","","","NSC645788","","C1=CC=C2C(=C1)C(=NCC3=CC(=C(C=C3)Cl)Cl)NNS2(=O)=O","BMKVFSSOTVSQBE-UHFFFAOYSA-N","135408924",NA,"PDBC45513","645788","Present"
-"NSC645793","","","","","","","","","","","","","","","","","","","","NSC645793","","CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CC8=C(C=C(C=C8C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C.[K+]","GJLQHYJBNOYDBQ-UHFFFAOYSA-N","54608111",NA,"PDBC45514","645793","Present"
-"NSC645874","","","","","","","","","","","","","","","","","","","","NSC645874","","CCOC(=O)C(C1=NC2=CC=CC=C2N=C1)C(=NNC(=O)OC)C(=O)NC3=CC=C(C=C3)C(=O)C","BCAHOTGMCBRJOA-HFTWOUSFSA-N","9555872",NA,"PDBC45515","645874","Present"
-"NSC645882","","","","","","","","","","","","","","","","","","","","NSC645882","","CCOC(=O)C(C1=NC2=CC=CC=C2N=C1)C(=NNC(=O)OC)C(=O)NC3=C(C=CC(=C3)OC)OC","IJILKABADWPPPF-SGWCAAJKSA-N","5465330",NA,"PDBC45516","645882","Present"
-"NSC645887","","","","","","","","","","","","","","","","","","","","NSC645887","","CC1CC(=O)C(C1C(C(=O)C(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])CC(=O)O","ZCSJDMLHTYMQPU-MXIJQUQJSA-N","371558",NA,"PDBC45517","645887","Present"
-"NSC645901","","","","","","","","","","","","","","","","","","","","NSC645901","","CSC(=NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)NC(=O)C2=CC=CC=C2.I","CDNYDZMPEUWEDE-UHFFFAOYSA-N","135423150",NA,"PDBC45518","645901","Present"
-"NSC645986","","","","","","","","","","","","","","","","","","","","NSC645986","","C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CO)O","UQRINVXVCLEHJN-UHFFFAOYSA-N","371592",NA,"PDBC45519","645986","Present"
-"NSC645991","","","","","","","","","","","","","","","","","","","","NSC645991","","CC1(CC(C2C(C1C(=C)C=O)OC(=O)C2=C)O)C=C","ZTRSVJILTKDCGR-XHLKKRLISA-N","6711888",NA,"PDBC45520","645991","Present"
-"NSC645994","","","","","","","","","","","","","","","","","","","","NSC645994","","CC(C)C1=CC23CCC4C(C2CC1OO3)(CCCC4(C)C(=O)OC)C","NAAKMWGAXDJMGM-BVZWOAMPSA-N","6711890",NA,"PDBC45521","645994","Present"
-"NSC645995","","","","","","","","","","","","","","","","","","","","NSC645995","","CC(C)C12CCC3(C(=C1)CCC4C3(CCCC4(C)C(=O)OC)C)OO2","DGDPHTZXZIFFEV-QQFYDIPVSA-N","6711891",NA,"PDBC45522","645995","Present"
-"NSC645996","","","","","","","","","","","","","","","","","","","","NSC645996","","CC(C)C12CCC3(C(=C1)CCC4C3(CCCC4(C)C(=O)OC)C)OO2","DGDPHTZXZIFFEV-XZHCPJEPSA-N","6711892",NA,"PDBC45523","645996","Present"
-"NSC645997","","","","","","","","","","","","","","","","","","","","NSC645997","","CCC1(C(CC2C(C1C(=C)C=O)OC(=O)C2=C)O)C","FPQQHDBVYOLHPB-MAPPIREJSA-N","6711893",NA,"PDBC45524","645997","Present"
-"NSC645998","","","","","","","","","","","","","","","","","","","","NSC645998","","CC1=CCCC(=CC2C(CC1O)C(=C)C(=O)O2)C=O","XEUPTPWROFFVFO-NAKNACKTSA-N","50990206",NA,"PDBC45525","645998","Present"
-"NSC645999","","","","","","","","","","","","","","","","","","","","NSC645999","","CC12CCCC(C1CCC34C2CC(C(=C3)C(C)(C)O)OO4)(C)C(=O)OC","IOWHRFKVRZOMCP-SJHVTTCNSA-N","6711894",NA,"PDBC45526","645999","Present"
-"NSC646019","","","","","","","","","","","","","","","","","","","","NSC646019","","CC1(CCCC2(C1CCC3C24CCC(C4)(C(C3)OC(=O)CC(=O)OC)C)C)C","AHZFYNZHSPWMAG-GHPIDHAASA-N","6711895",NA,"PDBC45527","646019","Present"
-"NSC646030","","","","","","","","","","","","","","","","","","","","NSC646030","","CCN(CC)CCCC(C)NC1=C2C(=NC=C1)C=CC3=NN(N=C32)C.OP(=O)(O)O","HDDYSXXGYRIMAS-UHFFFAOYSA-N","371626",NA,"PDBC45528","646030","Present"
-"NSC646031","","","","","","","","","","","","","","","","","","","","NSC646031","","CC(C)NCCCC(C)NC1=C2C(=NC=C1)C=CC3=NN(N=C32)C.OP(=O)(O)O","LOCKFFIBDZXWQF-UHFFFAOYSA-N","371628",NA,"PDBC45529","646031","Present"
-"NSC646032","","","","","","","","","","","","","","","","","","","","NSC646032","","CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=NC=C2)C=CC4=NN(N=C43)C)O.Cl","FHCSRLZWLZJEAZ-UHFFFAOYSA-N","371630",NA,"PDBC45530","646032","Present"
-"NSC646084","","","","","","","","","","","","","","","","","","","","NSC646084","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(OCC(F)(F)F)OCC(F)(F)F)CO)O","QUGIKFHGIQQZFD-UHFFFAOYSA-N","371634",NA,"PDBC45531","646084","Present"
-"NSC646085","","","","","","","","","","","","","","","","","","","","NSC646085","","C1C(C(OC1N2C=C(C(=O)NC2=O)COCC(F)(F)F)CO)O","ZDSMEJQUASEOOJ-UHFFFAOYSA-N","371635",NA,"PDBC45532","646085","Present"
-"NSC646112","","","","","","","","","","","","","","","","","","","","NSC646112","","","","",NA,"PDBC45533","646112","Present"
-"NSC646114","","","","","","","","","","","","","","","","","","","","NSC646114","","C1C2C3CC4C2C5C1C3C4(C5N)C6=CC=CC=C6.Cl","ICYJIEMRLMJGLU-IMTDNEFGSA-N","371674",NA,"PDBC45534","646114","Present"
-"NSC646115","","","","","","","","","","","","","","","","","","","","NSC646115","","CCCCNC1C2C3CC4C2C5C1(C3C4C5)C.Cl","OXWAXUNOUSSYKX-XYYROTSCSA-N","371676",NA,"PDBC45535","646115","Present"
-"NSC646116","","","","","","","","","","","","","","","","","","","","NSC646116","","CCCC(=O)NC1C2C3CC4C2C5C1(C3C4C5)C","PBKXDKBOHVPXKQ-SWXZNSMISA-N","371678",NA,"PDBC45536","646116","Present"
-"NSC646117","","","","","","","","","","","","","","","","","","","","NSC646117","","CC12C3CC4C1C5CC4C3C5C2NCC6=CC=CC=C6.Cl","DTPLSUHYSPJGHR-SEZMIEIZSA-N","371679",NA,"PDBC45537","646117","Present"
-"NSC646119","","","","","","","","","","","","","","","","","","","","NSC646119","","C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3","QZBUWPVZSXDWSB-UHFFFAOYSA-N","99895",NA,"PDBC45538","646119","Present"
-"NSC646138","","","","","","","","","","","","","","","","","","","","NSC646138","","","","",NA,"PDBC45539","646138","Present"
-"NSC646139","","","","","","","","","","","","","","","","","","","","NSC646139","","","","",NA,"PDBC45540","646139","Present"
-"NSC646140","","","","","","","","","","","","","","","","","","","","NSC646140","","","","",NA,"PDBC45541","646140","Present"
-"NSC646141","","","","","","","","","","","","","","","","","","","","NSC646141","","","","",NA,"PDBC45542","646141","Present"
-"NSC646142","","","","","","","","","","","","","","","","","","","","NSC646142","","","","",NA,"PDBC45543","646142","Present"
-"NSC646143","","","","","","","","","","","","","","","","","","","","NSC646143","","CC(C)(C)C1=NOC2C1CCC2NC(=O)C3=CC=CC=C3","BWYCDNGJLWGFMK-HZSPNIEDSA-N","371693",NA,"PDBC45544","646143","Present"
-"NSC646157","","","","","","","","","","","","","","","","","","","","NSC646157","","CC1(CCCC2(C1CCC34C2CCC(C3)(C4CO)C)C)C","NKSQOTCNKPLOFT-LFHGNTFNSA-N","6711912",NA,"PDBC45545","646157","Present"
-"NSC646181","","","","","","","","","","","","","","","","","","","","NSC646181","","CC(=CCCC(=CCCC(=CC(C1=CC=CC=C1)O)C)C)C","ZNAHOZYZXOHJLX-WBLKYFKXSA-N","5466978",NA,"PDBC45546","646181","Present"
-"NSC646183","","","","","","","","","","","","","","","","","","","","NSC646183","","CC1(C(CCC1=O)C=O)C(=O)OC","XIOJLPUXXPQRTM-HZGVNTEJSA-N","6711913",NA,"PDBC45547","646183","Present"
-"NSC646186","","","","","","","","","","","","","","","","","","","","NSC646186","","CC1CCCC(=NNS(=O)(=O)C2=CC=C(C=C2)C)C1(C)C(=O)OC","LWLNBYRIVLIODI-CBEXDCQMSA-N","54611642",NA,"PDBC45548","646186","Present"
-"NSC646215","","","","","","","","","","","","","","","","","","","","NSC646215","","CC(C1=CC=CC=C1)NC(=O)OC2C3CCC2C(C=C3)O","NYTSBEZBDJWGFP-DSGUZJNWSA-N","5466981",NA,"PDBC45549","646215","Present"
-"NSC646216","","","","","","","","","","","","","","","","","","","","NSC646216","","CCOC(=O)CC(C)C1(CCCC1=O)C(=O)OC","LZNJQOARYCXUGU-NOZJJQNGSA-N","371772",NA,"PDBC45550","646216","Present"
-"NSC646225","","","","","","","","","","","","","","","","","","","","NSC646225","","CC(C=C)C1(CCCC12OCCO2)C(=O)OC","GFZKFNFGPLZZFR-PWSUYJOCSA-N","371781",NA,"PDBC45551","646225","Present"
-"NSC646230","","","","","","","","","","","","","","","","","","","","NSC646230","","COC1=CC=C(C=C1)C=[N+](C(COCC2=CC=CC=C2)C3=CC=CC=C3)[O-]","RTIMMUBXTYXCMG-KDYMBEQYSA-N","5466984",NA,"PDBC45552","646230","Present"
-"NSC646233","","","","","","","","","","","","","","","","","","","","NSC646233","","C1=CC=C(C=C1)COCC(C2=CC=CC=C2)[N+](=CC3=CC=CC=C3)[O-]","RCVJLZCROUDKMD-LEYFIJQKSA-N","5466985",NA,"PDBC45553","646233","Present"
-"NSC646234","","","","","","","","","","","","","","","","","","","","NSC646234","","CC1(OCC(O1)C(C2C(OC(O2)(C)C)C=NO)O)C","GCYSHDWLKNPSBV-ACAGNQJTSA-N","5369303",NA,"PDBC45554","646234","Present"
-"NSC646251","","","","","","","","","","","","","","","","","","","","NSC646251","","CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC4=C(C=C3)C5=NC6=NC(=NC7=C8C=C(C=CC8=C(N7)N=C9C1=C(C=CC(=C1)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)C(=N9)N=C4N5)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)C1=C6C=CC(=C1)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1","ROYGEXATUOCFQR-UHFFFAOYSA-N","16134272",NA,"PDBC45555","646251","Present"
-"NSC646273","","","","","","","","","","","","","","","","","","","","NSC646273","","C1C=CC(C2C1C=CC=CC2=O)O","HXVXIYMUKZSRIV-LDGBHUKOSA-N","371808",NA,"PDBC45556","646273","Present"
-"NSC646286","","","","","","","","","","","","","","","","","","","","NSC646286","","","","",NA,"PDBC45557","646286","Present"
-"NSC646292","","","","","","","","","","","","","","","","","","","","NSC646292","","","","",NA,"PDBC45558","646292","Present"
-"NSC646295","","","","","","","","","","","","","","","","","","","","NSC646295","","","","",NA,"PDBC45559","646295","Present"
-"NSC646369","","","","","","","","","","","","","","","","","","","","NSC646369","","C1=CC(=CC=C1C2=CSC(=N2)C(C#N)C(=NNC(=O)C3=CC=NC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])Br","WKLIHDFQVOWFGO-DFKUXCBWSA-N","5847159",NA,"PDBC45560","646369","Present"
-"NSC646370","","","","","","","","","","","","","","","","","","","","NSC646370","","C1=CN=CC=C1C(=O)NN=C(C2C(=O)NC(=O)NC2=O)C3=NS(=O)(=O)C4=CC(=C(C=C4N3)Cl)S(=O)(=O)N","CGIFIFRHVCDHOB-DHRITJCHSA-N","5479611",NA,"PDBC45561","646370","Present"
-"NSC646386","","","","","","","","","","","","","","","","","","","","NSC646386","","C[N+](C)(C)CC(=O)NN=C(C1C(=NN(C1=O)C2=CC=CC=C2)N)C(=O)NC3=CC=C(C=C3)Cl.[Cl-]","WDBYOTUIBKNBOG-UHFFFAOYSA-N","54604818",NA,"PDBC45562","646386","Present"
-"NSC646387","","","","","","","","","","","","","","","","","","","","NSC646387","","CC1=CC(=C(C=C1)C)NC(=O)C(=NNC(=O)C[N+]2=CC=CC=C2)CC3=CC(=O)C4=C(O3)C(=C5C(=C4OC)OCO5)OC.[Cl-]","QTSKXLDVUZGITR-UHFFFAOYSA-N","54602089",NA,"PDBC45563","646387","Present"
-"NSC646441","","","","","","","","","","","","","","","","","","","","NSC646441","","CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-])N=[N+]=[N-])Br","IMNYUQITPPIELN-UHFFFAOYSA-N","371877",NA,"PDBC45564","646441","Present"
-"NSC646443","","","","","","","","","","","","","","","","","","","","NSC646443","","CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-])N=[N+]=[N-])Cl","WXLBTVDTGAHQTI-UHFFFAOYSA-N","371878",NA,"PDBC45565","646443","Present"
-"NSC646466","","","","","","","","","","","","","","","","","","","","NSC646466","","","","",NA,"PDBC45566","646466","Present"
-"NSC646467","","","","","","","","","","","","","","","","","","","","NSC646467","","CC(=O)NC1C(CN2C1C(OC(=O)C2=O)C(CO)O)O","UTLKHNPVNBVXIO-CDBVJKSLSA-N","371884",NA,"PDBC45567","646467","Present"
-"NSC646498","","","","","","","","","","","","","","","","","","","","NSC646498","","C1C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3O1","NBQPUTOGVZAGGJ-XYOKQWHBSA-N","2396158",NA,"PDBC45568","646498","Present"
-"NSC646499","","","","","","","","","","","","","","","","","","","","NSC646499","","C1C(=CC2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3O1","HYXCHJLRQNCZCW-FMIVXFBMSA-N","1550198",NA,"PDBC45569","646499","Present"
-"NSC646500","","","","","","","","","","","","","","","","","","","","NSC646500","","C1C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(O1)C=CC(=C3)Br","FQOPOLRDBWVWAB-IZZDOVSWSA-N","5466990",NA,"PDBC45570","646500","Present"
-"NSC646501","","","","","","","","","","","","","","","","","","","","NSC646501","","C1C(=CC2=CC=C(C=C2)Cl)C(=O)C3=C(O1)C=CC(=C3)Br","NXWBHUVELVLDDT-YRNVUSSQSA-N","5466991",NA,"PDBC45571","646501","Present"
-"NSC646502","","","","","","","","","","","","","","","","","","","","NSC646502","","C1C(=CC2=CC=CC=C2Cl)C(=O)C3=C(O1)C=CC(=C3)Br","ZLINSEGMPZIPTQ-YRNVUSSQSA-N","5466992",NA,"PDBC45572","646502","Present"
-"NSC646576","","","","","","","","","","","","","","","","","","","","NSC646576","","CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-])Br","QRPDFPMWHYGCCS-UHFFFAOYSA-N","371925",NA,"PDBC45573","646576","Present"
-"NSC646603","","","","","","","","","","","","","","","","","","","","NSC646603","","","","",NA,"PDBC45574","646603","Present"
-"NSC646604","","","","","","","","","","","","","","","","","","","","NSC646604","","","","",NA,"PDBC45575","646604","Present"
-"NSC646605","","","","","","","","","","","","","","","","","","","","NSC646605","","","","",NA,"PDBC45576","646605","Present"
-"NSC646606","","","","","","","","","","","","","","","","","","","","NSC646606","","","","",NA,"PDBC45577","646606","Present"
-"NSC646607","","","","","","","","","","","","","","","","","","","","NSC646607","","","","",NA,"PDBC45578","646607","Present"
-"NSC646608","","","","","","","","","","","","","","","","","","","","NSC646608","","","","",NA,"PDBC45579","646608","Present"
-"NSC646609","","","","","","","","","","","","","","","","","","","","NSC646609","","","","",NA,"PDBC45580","646609","Present"
-"NSC646610","","","","","","","","","","","","","","","","","","","","NSC646610","","","","",NA,"PDBC45581","646610","Present"
-"NSC646611","","","","","","","","","","","","","","","","","","","","NSC646611","","","","",NA,"PDBC45582","646611","Present"
-"NSC646701","","","","","","","","","","","","","","","","","","","","NSC646701","","","","",NA,"PDBC45583","646701","Present"
-"NSC646787","","","","","","","","","","","","","","","","","","","","NSC646787","","CC1=CC=C(C=C1)NC(=O)C(=NNC(=O)C[N+](C)(C)C)C2=NC3=CC=CC=C3NC2=O.[Cl-]","SMSCXRXOQDLAKR-UHFFFAOYSA-N","135499241",NA,"PDBC45584","646787","Present"
-"NSC646798","","","","","","","","","","","","","","","","","","","","NSC646798","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=NNC(=O)N)C(=O)NC4=CC=C(C=C4)Br","MLJKJCLHRKFIQH-NJZRLIGZSA-N","5465345",NA,"PDBC45585","646798","Present"
-"NSC646826","","","","","","","","","","","","","","","","","","","","NSC646826","","C1=CC=C2C(=C1)C(OC2=O)CC(=NN)C3=CC=CO3","LIOOSEALZVCYQJ-LFIBNONCSA-N","5465355",NA,"PDBC45586","646826","Present"
-"NSC646827","","","","","","","","","","","","","","","","","","","","NSC646827","","C1=CC=C2C(=C1)C(OC2=O)CC(=NNC(=O)N)C3=CC=CO3","GQDWRGMCFBRNHV-GZTJUZNOSA-N","5465356",NA,"PDBC45587","646827","Present"
-"NSC646831","","","","","","","","","","","","","","","","","","","","NSC646831","","C1=CC=C2C(=C1)C(OC2=O)CC(=NNC(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]","DAEVJUKONCBJKM-XMHGGMMESA-N","5465358",NA,"PDBC45588","646831","Present"
-"NSC646832","","","","","","","","","","","","","","","","","","","","NSC646832","","CC(C1C2=CC=CC=C2OC1=O)C(=NNC3=CC=CC=C3)C4=CC=C(C=C4)O","QFIOQZMUCYTKEW-YYDJUVGSSA-N","135499246",NA,"PDBC45589","646832","Present"
-"NSC646834","","","","","","","","","","","","","","","","","","","","NSC646834","","C1=CC=C(C=C1)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CO4)O","HTIXPTBDACLMKL-ULJHMMPZSA-N","135499248",NA,"PDBC45590","646834","Present"
-"NSC646835","","","","","","","","","","","","","","","","","","","","NSC646835","","C1=CC=C(C=C1)C=CC(=NC(=N)N)CC2C3=CC=CC=C3C(=O)O2","CWMNXFLZLZLNMY-LAUHTZEZSA-N","6477355",NA,"PDBC45591","646835","Present"
-"NSC646836","","","","","","","","","","","","","","","","","","","","NSC646836","","COC1=CC=C(C=C1)C(C2C3=CC=CC=C3C(=O)O2)C(=NNC4=CC=CC=C4)C5=CC=C(C=C5)OC","GHICATZYFRPCNE-BLCKFSMSSA-N","5465362",NA,"PDBC45592","646836","Present"
-"NSC646844","","","","","","","","","","","","","","","","","","","","NSC646844","","COC1=C(C(=C2C3CCCCCC3CCC(=O)C2=C1)OC)OC","CQNXHMBYHAPIAD-CHWSQXEVSA-N","372028",NA,"PDBC45593","646844","Present"
-"NSC646853","","","","","","","","","","","","","","","","","","","","NSC646853","","CC1=C(C=CC2=C1OC3=C(C=CC=C3C2=O)CC(=O)O)N(C)C.[Na+]","SXHPFTGNCMCYJO-UHFFFAOYSA-N","54608862",NA,"PDBC45594","646853","Present"
-"NSC646857","","","","","","","","","","","","","","","","","","","","NSC646857","","CC1=NC=C(N1CCNCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-].Cl","YLYTUCHRFQQJCF-UHFFFAOYSA-N","372038",NA,"PDBC45595","646857","Present"
-"NSC646858","","","","","","","","","","","","","","","","","","","","NSC646858","","C1=CC2=NC=CC(=C2C(=C1)[N+](=O)[O-])NCC(CO)O.Cl","FVKPERHIXYAFTM-UHFFFAOYSA-N","372040",NA,"PDBC45596","646858","Present"
-"NSC646859","","","","","","","","","","","","","","","","","","","","NSC646859","","C1COCCN1CCNC2=C3C(=NC=C2)C=CC=C3[N+](=O)[O-].Cl","HJTYTAKBQVCYDJ-UHFFFAOYSA-N","372042",NA,"PDBC45597","646859","Present"
-"NSC646860","","","","","","","","","","","","","","","","","","","","NSC646860","","CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=C(C(=N2)C)C)NCCCN(C)C.Cl","SRGDCAOPLJBGHI-UHFFFAOYSA-N","372044",NA,"PDBC45598","646860","Present"
-"NSC646861","","","","","","","","","","","","","","","","","","","","NSC646861","","CC1=C(N=C2C=CC=C(C2=C1NCCCN(C)C)[N+](=O)[O-])C.Cl","DRLNSTXGLKQPFM-UHFFFAOYSA-N","372046",NA,"PDBC45599","646861","Present"
-"NSC64692","","","","","","","","","","","","","","","","","","","","NSC64692","","CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C","IINRGTWFETXCNC-UHFFFAOYSA-N","248131",NA,"PDBC45600","64692","Present"
-"NSC646929","","","","","","","","","","","","","","","","","","","","NSC646929","","C1CSC(SC1)C2C(CCC2=C3SCCCS3)OC(=O)C4=CC=CC=C4","IKAVUAHDVXBPDC-ZYMOGRSISA-N","372063",NA,"PDBC45601","646929","Present"
-"NSC646932","","","","","","","","","","","","","","","","","","","","NSC646932","","CCOC(=O)C12C3C(C1(OC(=O)C=C2C)C)C(=O)NC3=O","HJIXHSQKUYZNRT-YJBSTTGXSA-N","372066",NA,"PDBC45602","646932","Present"
-"NSC646933","","","","","","","","","","","","","","","","","","","","NSC646933","","CCOC(=O)C12C(CC1(OC(=O)C=C2C)C)C#N","BJORTTXSSGJWKL-BIMULSAOSA-N","372067",NA,"PDBC45603","646933","Present"
-"NSC646961","","","","","","","","","","","","","","","","","","","","NSC646961","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC3=CC=CC=C3N2C","HQWMFBYFDMCEDT-XMHGGMMESA-N","5465367",NA,"PDBC45604","646961","Present"
-"NSC646973","","","","","","","","","","","","","","","","","","","","NSC646973","","CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC","FNGGIPWAZSFKCN-QNGMFEMESA-N","372098",NA,"PDBC45605","646973","Present"
-"NSC647069","","","","","","","","","","","","","","","","","","","","NSC647069","","CC1C=CC(CCC1(C)O)SC2=CC=CC=C2","VQXHVWVYZZSMHI-JQXSQYPDSA-N","6711930",NA,"PDBC45606","647069","Present"
-"NSC647092","","","","","","","","","","","","","","","","","","","","NSC647092","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=NNC3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4[N+](=O)[O-])O","AJXXZZXPNBEBDZ-NHFJDJAPSA-N","135499254",NA,"PDBC45607","647092","Present"
-"NSC647093","","","","","","","","","","","","","","","","","","","","NSC647093","","CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=NNC(=O)CC#N)CC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]","GDWHXJGDZLZPMH-KOEQRZSOSA-N","5465372",NA,"PDBC45608","647093","Present"
-"NSC647099","","","","","","","","","","","","","","","","","","","","NSC647099","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=NNC(=O)C[N+](C)(C)C)CC2=NC3=C(C=C(C=C3)Cl)NC2=O.[Cl-]","RYMLRLKVQWGBMU-UHFFFAOYSA-N","5479959",NA,"PDBC45609","647099","Present"
-"NSC647101","","","","","","","","","","","","","","","","","","","","NSC647101","","C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=C(C=C2)Cl)NC1=O)C3=NS(=O)(=O)C4=CC(=C(C=C4N3)Cl)S(=O)(=O)N.[Cl-]","RZYBRYBMTYPJLP-UHFFFAOYSA-N","54608789",NA,"PDBC45610","647101","Present"
-"NSC647104","","","","","","","","","","","","","","","","","","","","NSC647104","","CC1=C(C=CC=C1Cl)NC(=O)C(=O)C(C2=NC3=CC=CC=C3N=C2C)C(=NNC4=CC(=CC=C4)Cl)C(=O)OC","QILPTRWMVFYPIM-KVQDIILNSA-N","5465375",NA,"PDBC45611","647104","Present"
-"NSC647110","","","","","","","","","","","","","","","","","","","","NSC647110","","C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC1=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl.[Cl-]","HZPBYGNMPXPQLV-UHFFFAOYSA-N","5479963",NA,"PDBC45612","647110","Present"
-"NSC647112","","","","","","","","","","","","","","","","","","","","NSC647112","","C[N+](C)(C)CC(=O)NN=C(CC1=CC(=O)OC2=C1C=CC(=C2)O)C(=O)NC3=CC=C(C=C3)Cl.[Cl-]","DRXKBGBTHADSMY-UHFFFAOYSA-N","5479965",NA,"PDBC45613","647112","Present"
-"NSC647114","","","","","","","","","","","","","","","","","","","","NSC647114","","C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl.[Cl-]","FBPTVAXKUPDHIT-UHFFFAOYSA-N","5479967",NA,"PDBC45614","647114","Present"
-"NSC647116","","","","","","","","","","","","","","","","","","","","NSC647116","","CN(C)N=C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(C3=CC=C(C=C3)C(C(=NN(C)C)C4=NC5=C(C=C(C=C5)Cl)NC4=O)O)O","ODDGDVRRPZHEGY-PXDBBHOGSA-N","135499257",NA,"PDBC45615","647116","Present"
-"NSC647117","","","","","","","","","","","","","","","","","","","","NSC647117","","C1=CC=C(C=C1)NN=C(C2=CN=C3C=C(C=CC3=N2)[N+](=O)[O-])C(C4=CC=C(C=C4)C(C(=NNC5=CC=CC=C5)C6=NC7=C(C=C(C=C7)[N+](=O)[O-])NC6=O)O)O","OKJUCDRNHHHKOT-WDIHSTDGSA-N","135499258",NA,"PDBC45616","647117","Present"
-"NSC647119","","","","","","","","","","","","","","","","","","","","NSC647119","","CC(=NNC(=O)C[N+](C)(C)C)C(CN(C)C)C(=O)NC1=CC=CC=C1.[Cl-]","FWOBSLJQSJNHKN-VSOKSMTPSA-N","5479969",NA,"PDBC45617","647119","Present"
-"NSC647124","","","","","","","","","","","","","","","","","","","","NSC647124","","CC1=CC(=C(C=C1)NC(=O)C(CN(CC(C)C)CC(C)C)C(=NN(C[N+]2=CC=CC=C2)C=O)C)C.[Cl-]","JQMYFUJMKBLMPY-NNLGMZJTSA-N","6517292",NA,"PDBC45618","647124","Present"
-"NSC647127","","","","","","","","","","","","","","","","","","","","NSC647127","","CC1=CC(=C(C=C1)NC(=O)C(CN(CC(C)C)CC(C)C)C(=NNC(=O)C[N+]2=CC=CC=C2)C)C.[Cl-]","SQRJTLCKYUSBQP-BXMGYBSLSA-N","5479971",NA,"PDBC45619","647127","Present"
-"NSC647129","","","","","","","","","","","","","","","","","","","","NSC647129","","C[N+](C)(C)CC(=O)NC(=O)NN=CC(CC#N)CN(CC1=CC=CC=C1)CC2=CC=CC=C2.[Cl-]","HEICJUIMJDLEAZ-FYAJYVDZSA-N","6474626",NA,"PDBC45620","647129","Present"
-"NSC647132","","","","","","","","","","","","","","","","","","","","NSC647132","","","","",NA,"PDBC45621","647132","Present"
-"NSC647134","","","","","","","","","","","","","","","","","","","","NSC647134","","","","",NA,"PDBC45622","647134","Present"
-"NSC647250","","","","","","","","","","","","","","","","","","","","NSC647250","","COC(=O)NNC=C(C=NC1=CC=CC=C1)[N+](=O)[O-]","AZOMELJASKADJT-KGLMZBLSSA-N","5923976",NA,"PDBC45623","647250","Present"
-"NSC647255","","","","","","","","","","","","","","","","","","","","NSC647255","","C1=CC=C(C=C1)N=CC(=CNNC(=S)NN)[N+](=O)[O-]","LYVJQJQYNDTXPP-MRMUNOPPSA-N","54608124",NA,"PDBC45624","647255","Present"
-"NSC647258","","","","","","","","","","","","","","","","","","","","NSC647258","","C1=CC=C(C=C1)N=CC(=CNNC(=S)N)[N+](=O)[O-]","JWHSAFZOBMJWOW-MRMUNOPPSA-N","54604764",NA,"PDBC45625","647258","Present"
-"NSC647264","","","","","","","","","","","","","","","","","","","","NSC647264","","CC(=NNC(=S)N)C(CN1CCOCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4.Cl","AWQPIMDYWDITPH-OWQUTOFXSA-N","9571708",NA,"PDBC45626","647264","Present"
-"NSC647265","","","","","","","","","","","","","","","","","","","","NSC647265","","CC(=NN=C(N)N)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","UBKGSQRXKUKPAL-WDCVSKPTSA-N","54692436",NA,"PDBC45627","647265","Present"
-"NSC647267","","","","","","","","","","","","","","","","","","","","NSC647267","","CC(=NN)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","BWYLGNXBYDLQHN-SXMBIPSUSA-N","54712270",NA,"PDBC45628","647267","Present"
-"NSC647268","","","","","","","","","","","","","","","","","","","","NSC647268","","CC(=O)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","UQBNWYHMJKFBOY-UHFFFAOYSA-N","54695453",NA,"PDBC45629","647268","Present"
-"NSC647271","","","","","","","","","","","","","","","","","","","","NSC647271","","CC(=NN=C(N)N)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","KVBPRLJUEKZWNE-HRRMWDOSSA-N","54692440",NA,"PDBC45630","647271","Present"
-"NSC647272","","","","","","","","","","","","","","","","","","","","NSC647272","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C(CN2CCOCC2)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","MUOCHQDRHGZWCU-BMFJENFKSA-N","54712272",NA,"PDBC45631","647272","Present"
-"NSC647273","","","","","","","","","","","","","","","","","","","","NSC647273","","C1CCN(C1)CCC(=NN)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","RRQWZKBPLHKQFP-DEGQLRSHSA-N","54712274",NA,"PDBC45632","647273","Present"
-"NSC647274","","","","","","","","","","","","","","","","","","","","NSC647274","","CC(=NO)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","HZHZAERMGHIHBB-MHVDTSALSA-N","54712276",NA,"PDBC45633","647274","Present"
-"NSC647275","","","","","","","","","","","","","","","","","","","","NSC647275","","CC(=O)C(CN(CC=C)CC=C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","LODIBXGDEFYQHY-UHFFFAOYSA-N","54695455",NA,"PDBC45634","647275","Present"
-"NSC647276","","","","","","","","","","","","","","","","","","","","NSC647276","","C1=CC=C(C=C1)CC(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=C(C=C4)C(C(=NNC(=O)CC5=CC=CC=C5)C6=NC7=C(C=C(C=C7)[N+](=O)[O-])NC6=O)O)O","USXGBQANPKPCPR-OAOLHABNSA-N","135499261",NA,"PDBC45635","647276","Present"
-"NSC647313","","","","","","","","","","","","","","","","","","","","NSC647313","","CCCCN1C(=CSC1=NNC(=O)CN2C(=NC3=CC=CC=C32)C)C4=CC=CC=C4","XSKJBIRMCMRJLJ-RWEWTDSWSA-N","5465388",NA,"PDBC45636","647313","Present"
-"NSC647330","","","","","","","","","","","","","","","","","","","","NSC647330","","CC1(OCCO1)C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]","GUDPKIJRSHYOBE-UHFFFAOYSA-M","24202411",NA,"PDBC45637","647330","Present"
-"NSC647331","","","","","","","","","","","","","","","","","","","","NSC647331","","CC(C1=CC(=C[N+](=C1)CC2=CC=CC=C2)OC)O.[Cl-]","MKLRPWCOSZSZKD-UHFFFAOYSA-M","24202412",NA,"PDBC45638","647331","Present"
-"NSC647371","","","","","","","","","","","","","","","","","","","","NSC647371","","COC(=O)C1(CCCC(=NO)C1)CC=C","YLWNKHDFCZWLNK-FMIVXFBMSA-N","5465389",NA,"PDBC45639","647371","Present"
-"NSC647379","","","","","","","","","","","","","","","","","","","","NSC647379","","CC12CCCC(C1CCC3=C2CCC4(C3)SCCS4)(C)C(=O)OC","NJJRJTCHDTYRKU-NKELODKYSA-N","6711935",NA,"PDBC45640","647379","Present"
-"NSC647383","","","","","","","","","","","","","","","","","","","","NSC647383","","CCOC(=O)C1C2=C(CCN1)C3=CC=CC=C3N2.Cl","VZYMSIAMRRXCDL-UHFFFAOYSA-N","372324",NA,"PDBC45641","647383","Present"
-"NSC647396","","","","","","","","","","","","","","","","","","","","NSC647396","","COC12C(C(C1C(=O)O)C(=O)O)C3=CC=CC=C3C4=CC=CC=C24","ASGRTYKWASRDOG-HITAIPBASA-N","6711936",NA,"PDBC45642","647396","Present"
-"NSC647402","","","","","","","","","","","","","","","","","","","","NSC647402","","COC12C(C3C1C(=O)OC3=O)C4=CC=CC=C4C5=CC=CC=C25","JVUYITYOPQCFKX-HITAIPBASA-N","372343",NA,"PDBC45643","647402","Present"
-"NSC647405","","","","","","","","","","","","","","","","","","","","NSC647405","","CCC12CCCN(C1C3=C(C(C2)C(=O)OC)NC4=CC=CC=C43)CC5=CC=CC=C5.Cl","DYLWPLONJWZXFK-UHFFFAOYSA-N","372346",NA,"PDBC45644","647405","Present"
-"NSC647407","","","","","","","","","","","","","","","","","","","","NSC647407","","CC(C)CN(CC(C)C)CC(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)C.Cl","CDYGZSLCGZDKCC-UHFFFAOYSA-N","54695456",NA,"PDBC45645","647407","Present"
-"NSC647409","","","","","","","","","","","","","","","","","","","","NSC647409","","C1CCN(C1)CCC(=NO)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","KWERZQZECMSZSE-LHSXHHQOSA-N","54712278",NA,"PDBC45646","647409","Present"
-"NSC647410","","","","","","","","","","","","","","","","","","","","NSC647410","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(CCN2CCCC2)CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","HSTOYJLXRSAKBW-TWJGMXQDSA-N","54712279",NA,"PDBC45647","647410","Present"
-"NSC647411","","","","","","","","","","","","","","","","","","","","NSC647411","","CC(=NNC1=CC=CC=C1)C(CN(C)C)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","PNGYQYIDTNZCFL-ZHHZSZKJSA-N","54712280",NA,"PDBC45648","647411","Present"
-"NSC647412","","","","","","","","","","","","","","","","","","","","NSC647412","","CC(=NO)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","VTPQAWLTNQEETL-VOGLITBBSA-N","54712282",NA,"PDBC45649","647412","Present"
-"NSC647413","","","","","","","","","","","","","","","","","","","","NSC647413","","CN(C)N=C(CCN1CCCC1)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","HXJCKYWTBCHUNS-PQAWYCKWSA-N","54712284",NA,"PDBC45650","647413","Present"
-"NSC647414","","","","","","","","","","","","","","","","","","","","NSC647414","","C1CCN(C1)CCC(=NN=C(N)N)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","UIPQWKSPCBNJCW-OCEUWNEJSA-N","54712286",NA,"PDBC45651","647414","Present"
-"NSC647415","","","","","","","","","","","","","","","","","","","","NSC647415","","CC(=NNC(=O)OC)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","XMLAQKZAEUKUQS-BUWMAIPZSA-N","54692452",NA,"PDBC45652","647415","Present"
-"NSC647416","","","","","","","","","","","","","","","","","","","","NSC647416","","CC(=O)C(CN(C)CC1=CC=CC=C1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","QPMYIMZRLTYYOF-UHFFFAOYSA-N","54695458",NA,"PDBC45653","647416","Present"
-"NSC647417","","","","","","","","","","","","","","","","","","","","NSC647417","","CC(=O)C(CN(CC1=CC=CC=C1)CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","AUTVJFUHUHLOEA-UHFFFAOYSA-N","54695460",NA,"PDBC45654","647417","Present"
-"NSC647419","","","","","","","","","","","","","","","","","","","","NSC647419","","CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C(CN2CCCCC2)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","SDUXWRBOPIBRSA-QVXZZZNXSA-N","54712287",NA,"PDBC45655","647419","Present"
-"NSC647420","","","","","","","","","","","","","","","","","","","","NSC647420","","C1CCN(C1)CCC(=NNC(=S)N)CC(C2=CC=CC=C2)C3=C(C4=CCCCC4OC3=O)O.Cl","DPTWZRDIDBGGAU-WOWWZAAFSA-N","54712288",NA,"PDBC45656","647420","Present"
-"NSC647421","","","","","","","","","","","","","","","","","","","","NSC647421","","CC(=NN=C(N)N)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","IKLBGDUYWZIBHP-BCUBJXSGSA-N","54692454",NA,"PDBC45657","647421","Present"
-"NSC647422","","","","","","","","","","","","","","","","","","","","NSC647422","","CCCCN(CC)CC(C1=C(C2=CC=CC=C2OC1=O)O)C(=O)C.Cl","JQLZAGFZTLUCES-UHFFFAOYSA-N","54695461",NA,"PDBC45658","647422","Present"
-"NSC647423","","","","","","","","","","","","","","","","","","","","NSC647423","","CCN(CC)CC(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)C.Cl","YKATXZSSSVOKCY-UHFFFAOYSA-N","54695462",NA,"PDBC45659","647423","Present"
-"NSC647424","","","","","","","","","","","","","","","","","","","","NSC647424","","C1CCN(C1)CCC(=NNC(=O)C2=CC=NC=C2)CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","UVJWCACNVPPXLA-PDLFCWRNSA-N","54712289",NA,"PDBC45660","647424","Present"
-"NSC647425","","","","","","","","","","","","","","","","","","","","NSC647425","","CC(=NNC(=O)N)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","GGWHHTNXAUBLKZ-HYEBSWNJSA-N","54712291",NA,"PDBC45661","647425","Present"
-"NSC647426","","","","","","","","","","","","","","","","","","","","NSC647426","","C1CCN(C1)CCC(=NNC2=CC=CC=C2)CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","ZMPCOVIXZRQOJI-SNTKTRKPSA-N","54712292",NA,"PDBC45662","647426","Present"
-"NSC647427","","","","","","","","","","","","","","","","","","","","NSC647427","","CNN=C(CCN1CCCC1)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","RXUNKVSSMXQFNA-MORRFHCESA-N","54712293",NA,"PDBC45663","647427","Present"
-"NSC647429","","","","","","","","","","","","","","","","","","","","NSC647429","","CC1CCN(CC1)CCC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","BKBZBJASTZFDAP-UHFFFAOYSA-N","54695463",NA,"PDBC45664","647429","Present"
-"NSC647430","","","","","","","","","","","","","","","","","","","","NSC647430","","CCCCN(C)CC(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)C.Cl","OSBFYFVECZAILV-UHFFFAOYSA-N","54695464",NA,"PDBC45665","647430","Present"
-"NSC647431","","","","","","","","","","","","","","","","","","","","NSC647431","","CC(C)N(CC(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)C)C(C)C.Cl","HGILKQNOCGHPKO-UHFFFAOYSA-N","54695466",NA,"PDBC45666","647431","Present"
-"NSC647432","","","","","","","","","","","","","","","","","","","","NSC647432","","CC(=NN(C)C)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","FPGJGCSDRYMAGL-SOQZJLQASA-N","54712294",NA,"PDBC45667","647432","Present"
-"NSC647433","","","","","","","","","","","","","","","","","","","","NSC647433","","CC(=NNC(=O)OC)C(CN1CCCCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4.Cl","KRTQULXZNWPJDH-SOQZJLQASA-N","9571741",NA,"PDBC45668","647433","Present"
-"NSC647434","","","","","","","","","","","","","","","","","","","","NSC647434","","COC(=O)NN=C(CCN1CCCC1)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","PIHKBIXQMQHSPE-MORRFHCESA-N","54712296",NA,"PDBC45669","647434","Present"
-"NSC647435","","","","","","","","","","","","","","","","","","","","NSC647435","","CC(=NNC(=S)N)C(CN(C)C)C(C1=C(C2=CC=CC=C2OC1)O)C3=CC=CC=C3.Cl","FBJKRRXSLVZYBA-WMJMVBMNSA-N","9571744",NA,"PDBC45670","647435","Present"
-"NSC647436","","","","","","","","","","","","","","","","","","","","NSC647436","","CCC1CCCCN1CC(C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O)C(=O)C.Cl","KFXISEWLJZOOAD-UHFFFAOYSA-N","54695468",NA,"PDBC45671","647436","Present"
-"NSC647465","","","","","","","","","","","","","","","","","","","","NSC647465","","C1CNCCNCC(CNCCN1)(CCCCCCCCCCC(=O)O)N.Cl","BIRNMBBLSALTDR-UHFFFAOYSA-N","372415",NA,"PDBC45672","647465","Present"
-"NSC647466","","","","","","","","","","","","","","","","","","","","NSC647466","","CC(=C(C(=CC1=CC=C(C=C1)OC)C(=O)OC)C(=O)O)C","ZDLULXYLAQRTKK-UKTHLTGXSA-N","5467126",NA,"PDBC45673","647466","Present"
-"NSC647467","","","","","","","","","","","","","","","","","","","","NSC647467","","COC1=CC=C(C=C1)C=C(C(=C2CCCCC2)C(=O)O)C(=O)OC","GJIQSELGZINIJH-FOWTUZBSSA-N","5467127",NA,"PDBC45674","647467","Present"
-"NSC647468","","","","","","","","","","","","","","","","","","","","NSC647468","","COC1=CC=C(C=C1)C=C(C(=C2CCCC2)C(=O)O)C(=O)OC","WZTUSEPFDZRPIT-RVDMUPIBSA-N","5467128",NA,"PDBC45675","647468","Present"
-"NSC647469","","","","","","","","","","","","","","","","","","","","NSC647469","","CC(=C(C(=CC1=CC=C(C=C1)OC)C(=O)OC)C(=O)O)C2=CC=CC=C2","ZDZQBUYPFIHYOD-JIBZRZDWSA-N","5467129",NA,"PDBC45676","647469","Present"
-"NSC647562","","","","","","","","","","","","","","","","","","","","NSC647562","","CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC","VAYNONGSXQBKMT-YACUFSJGSA-N","91868438",NA,"PDBC45677","647562","Present"
-"NSC647574","","","","","","","","","","","","","","","","","","","","NSC647574","","C1=CC=C(C=C1)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CC=C4Cl)O","WQJPEYCJKWZZBF-DIBXZPPDSA-N","135499262",NA,"PDBC45678","647574","Present"
-"NSC647577","","","","","","","","","","","","","","","","","","","","NSC647577","","CC(=NN)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","YBLRAXZUUNTNHW-SAVLHYOGSA-N","54712297",NA,"PDBC45679","647577","Present"
-"NSC647578","","","","","","","","","","","","","","","","","","","","NSC647578","","CC(=NN)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","WZNUJBFNDGORML-ZKDABKAQSA-N","54712298",NA,"PDBC45680","647578","Present"
-"NSC647579","","","","","","","","","","","","","","","","","","","","NSC647579","","C1CCN(C1)CCC(=NNC(=O)CC#N)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","YDIBTBVHCUGGFG-PXNGTKLSSA-N","54692460",NA,"PDBC45681","647579","Present"
-"NSC647580","","","","","","","","","","","","","","","","","","","","NSC647580","","CC(=NN(C)C)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","GRYVSVLWVKZGGS-SRTPWMEPSA-N","54712300",NA,"PDBC45682","647580","Present"
-"NSC647584","","","","","","","","","","","","","","","","","","","","NSC647584","","C1CCN(C1)CCC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","YQZRPJJHKYZKMY-UHFFFAOYSA-N","54695470",NA,"PDBC45683","647584","Present"
-"NSC647585","","","","","","","","","","","","","","","","","","","","NSC647585","","C1=CC=C(C=C1)NN=C(C2=NC3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CO4)O","OJVZCQBOPJQJNB-ULJHMMPZSA-N","135499266",NA,"PDBC45684","647585","Present"
-"NSC647587","","","","","","","","","","","","","","","","","","","","NSC647587","","CC(=NNC(=O)N)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","CLPGTISWVVRYLU-JTCQIRNMSA-N","54712302",NA,"PDBC45685","647587","Present"
-"NSC647588","","","","","","","","","","","","","","","","","","","","NSC647588","","CC(=NNC(=S)N)C(CN1CCCCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4.Cl","GZVJBDXIAHMNKL-JBQVUESZSA-N","9571754",NA,"PDBC45686","647588","Present"
-"NSC647593","","","","","","","","","","","","","","","","","","","","NSC647593","","CC(=O)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","JDRBLKFLTYKIKW-UHFFFAOYSA-N","54695472",NA,"PDBC45687","647593","Present"
-"NSC647594","","","","","","","","","","","","","","","","","","","","NSC647594","","C1=CC=C(C=C1)NN=C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(C4=CC=CO4)O","WILMRFYKJJAKSX-UQQQWYQISA-N","135499271",NA,"PDBC45688","647594","Present"
-"NSC647595","","","","","","","","","","","","","","","","","","","","NSC647595","","CC(=O)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","KSKSHWSWTWEGIL-UHFFFAOYSA-N","54695474",NA,"PDBC45689","647595","Present"
-"NSC647596","","","","","","","","","","","","","","","","","","","","NSC647596","","CC(=NNC(=O)OC)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=CC4=CC=CC=C4OC3=O.Cl","FRHUYJBXFCTVJN-ZEJCXCISSA-N","9571756",NA,"PDBC45690","647596","Present"
-"NSC647597","","","","","","","","","","","","","","","","","","","","NSC647597","","CC(=NNC(=O)CC#N)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","ADQINORBXWEFKD-QUIZVCAPSA-N","54692466",NA,"PDBC45691","647597","Present"
-"NSC647598","","","","","","","","","","","","","","","","","","","","NSC647598","","C1CCN(C1)CCC(=NNC(=O)CC2=CC=CC=C2)CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","FQXQVKCUPVKQSI-VLMSGUPNSA-N","54692926",NA,"PDBC45692","647598","Present"
-"NSC647599","","","","","","","","","","","","","","","","","","","","NSC647599","","CC(=NNC(=O)N)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","DXYPZCZZINLMJS-WJKHLOCDSA-N","54712304",NA,"PDBC45693","647599","Present"
-"NSC647601","","","","","","","","","","","","","","","","","","","","NSC647601","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=O)C2=CC=NC=C2)C=CC3=CC4=C(C=C3)OCO4","INOSELZNEZTTEU-GBFKYMAASA-N","135499273",NA,"PDBC45694","647601","Present"
-"NSC647602","","","","","","","","","","","","","","","","","","","","NSC647602","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=S)N)C=CC2=CC(=C(C=C2)O)OC","DCMCAOFPWDHPEW-DIULEBGUSA-N","135499274",NA,"PDBC45695","647602","Present"
-"NSC647605","","","","","","","","","","","","","","","","","","","","NSC647605","","C[N+](C)(C)CC(=O)NN=C(CC1C2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)OC.[Cl-]","JLEOZDGLCLKOOC-PDEWKSAASA-N","5479973",NA,"PDBC45696","647605","Present"
-"NSC647610","","","","","","","","","","","","","","","","","","","","NSC647610","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=O)C2=CC=NC=C2)C=CC3=CC=CC=C3O","HVRQPULLOZMIFZ-CJWOJCOVSA-N","135499279",NA,"PDBC45697","647610","Present"
-"NSC647614","","","","","","","","","","","","","","","","","","","","NSC647614","","C[N+](C)(C)CC(=O)NN=C(CC1C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3O.[Cl-]","BROHARPVEZVYNW-UHFFFAOYSA-N","135499282",NA,"PDBC45698","647614","Present"
-"NSC647624","","","","","","","","","","","","","","","","","","","","NSC647624","","CC1(C(C(C2=CC(=C(C=C2O1)OC)OC)O)Br)C","MWVOYXZKZURRNC-KIYNQFGBSA-N","372508",NA,"PDBC45699","647624","Present"
-"NSC647660","","","","","","","","","","","","","","","","","","","","NSC647660","","CCOC(=O)C1=C(C2=CC=CC=C2N=C1C=NNC3=CC=CC=C3)C4=CC=CC=C4","YYUDNZKYFWUNOB-ONUIUJJFSA-N","5887449",NA,"PDBC45700","647660","Present"
-"NSC647711","","","","","","","","","","","","","","","","","","","","NSC647711","","C1=NN2C(=C1C(=O)O)NNC3=C2SC(=N)N=NC3=O.Cl","OMGVNZRYIILLIO-UHFFFAOYSA-N","372532",NA,"PDBC45701","647711","Present"
-"NSC647712","","","","","","","","","","","","","","","","","","","","NSC647712","","CC1=NN2C(=C1C#N)NNC3=C2SC(=N)N=NC3=O.Cl","BUASDEYEQDEUQG-UHFFFAOYSA-N","372534",NA,"PDBC45702","647712","Present"
-"NSC647716","","","","","","","","","","","","","","","","","","","","NSC647716","","C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)NCC3=NC4=C(C=CC5=C4N=CC=C5)C=C3.[Br-]","YYYZBWINBSAHEP-UHFFFAOYSA-N","372539",NA,"PDBC45703","647716","Present"
-"NSC647719","","","","","","","","","","","","","","","","","","","","NSC647719","","CC1(C2CCC1(C(=NOCCN3CCCC3)C2N4CCOCC4)C)C","HMVWBWXLENYHSD-ILNFXTPASA-N","9571763",NA,"PDBC45704","647719","Present"
-"NSC647759","","","","","","","","","","","","","","","","","","","","NSC647759","","CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC=CCCCCCCCC","CWTWBRORAOXVRW-CLFAGFIQSA-N","5467178",NA,"PDBC45705","647759","Present"
-"NSC647936","","","","","","","","","","","","","","","","","","","","NSC647936","","CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC(CC2)(C#N)C3=CC(=C(C=C3)OC)OC.Cl","NDHFLWOPJYFZDF-UHFFFAOYSA-N","372574",NA,"PDBC45706","647936","Present"
-"NSC647937","","","","","","","","","","","","","","","","","","","","NSC647937","","COC1=C(C=C(C=C1)CCN2CCC(CC2)(C#N)C3=CC(=C(C=C3)OC)OC)OC.Cl","CFFMZGMQYLNWIP-UHFFFAOYSA-N","372576",NA,"PDBC45707","647937","Present"
-"NSC647945","","","","","","","","","","","","","","","","","","","","NSC647945","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)OC(=N2)C=CC3=CC=CC=C3","XQHPEBMPKYNMKS-PEXWYOMYSA-N","54601701",NA,"PDBC45708","647945","Present"
-"NSC648048","","","","","","","","","","","","","","","","","","","","NSC648048","","C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC3=CC=C(C=C3)C(F)(F)F)CO)O","RPGHQCNKOXWXAX-UHFFFAOYSA-N","372620",NA,"PDBC45709","648048","Present"
-"NSC648089","","","","","","","","","","","","","","","","","","","","NSC648089","","CC(=O)OC(C1COC(=O)C1CC2=CC(=C(C(=C2Br)OC)OC)OC)C3=CC4=C(C=C3)OCO4","CBTVCGYSYFVYRN-BUNACBEFSA-N","372638",NA,"PDBC45710","648089","Present"
-"NSC648153","","","","","","","","","","","","","","","","","","","","NSC648153","","CN1C2=CC=CC=C2C3=C1C4C(CC3C5=CC=C(C=C5)OC)C(=O)OC4=O","VMTIXTOKJATDHF-BXWFABGCSA-N","372656",NA,"PDBC45711","648153","Present"
-"NSC648154","","","","","","","","","","","","","","","","","","","","NSC648154","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)Br)C(=O)N(C3=O)C6=CC=CC=C6","OMZQFQIRSYFTRW-TZOUSQANSA-N","372657",NA,"PDBC45712","648154","Present"
-"NSC64821","","","","","","","","","","","","","","","","","","","","NSC64821","","CN(C)C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C.I","YDDKQQBVOTVXOH-UHFFFAOYSA-N","24187030",NA,"PDBC45713","64821","Present"
-"NSC648219","","","","","","","","","","","","","","","","","","","","NSC648219","","CCC12CCCN(C1C3=C(CC2)N(C4=CC=CC=C43)C)CC5=CC=CC=C5.Cl","DVVBKQYYCGZRPI-UHFFFAOYSA-N","372686",NA,"PDBC45714","648219","Present"
-"NSC648223","","","","","","","","","","","","","","","","","","","","NSC648223","","CCC12CCCNC1C3=C(C(C2)C(=O)OC)N(C4=CC=CC=C43)C.Cl","DSEKZAWEGIWESY-UHFFFAOYSA-N","372692",NA,"PDBC45715","648223","Present"
-"NSC648225","","","","","","","","","","","","","","","","","","","","NSC648225","","CCC12CCCN(C1C3=C(C(C2)C(=O)OC)N(C4=CC=CC=C43)C)CC5=CC=CC=C5","YFCBXMUGKAVGTO-KYDWWNIQSA-N","372695",NA,"PDBC45716","648225","Present"
-"NSC648228","","","","","","","","","","","","","","","","","","","","NSC648228","","CC=C1CN2CCC3=C(C2C=C1)NC4=CC=CC=C34","YTLKUODXBRCFIU-OIXVIMQBSA-N","5383332",NA,"PDBC45717","648228","Present"
-"NSC648270","","","","","","","","","","","","","","","","","","","","NSC648270","","CN(C)CCCNC1=C2C=CC(=CC2=NC=C1)[N+](=O)[O-].Cl","ZFRMDZIILAWJBU-UHFFFAOYSA-N","372706",NA,"PDBC45718","648270","Present"
-"NSC648271","","","","","","","","","","","","","","","","","","","","NSC648271","","CN1C=C(N=C1C(=O)NC2=CC=C(C=C2)C(=O)NCCN(C)C)[N+](=O)[O-].Cl","ZRZFFMKELCWLKA-UHFFFAOYSA-N","372708",NA,"PDBC45719","648271","Present"
-"NSC648272","","","","","","","","","","","","","","","","","","","","NSC648272","","CC1=C(C=CC2=C(C=CN=C12)NCCCN(C)C)[N+](=O)[O-].Cl","QVNKBMVGSPOQGJ-UHFFFAOYSA-N","372710",NA,"PDBC45720","648272","Present"
-"NSC648273","","","","","","","","","","","","","","","","","","","","NSC648273","","CC1=C(N=C2C=C(C=CC2=C1NCCCN(C)C)[N+](=O)[O-])C.Cl","MRTHWDAMTZZTLE-UHFFFAOYSA-N","372712",NA,"PDBC45721","648273","Present"
-"NSC648316","","","","","","","","","","","","","","","","","","","","NSC648316","","CC1=C(C2=C(C=C1)N=C(NC2=O)N)SC3=CC=NC=C3.Cl","JSVRVYCCSLQAON-UHFFFAOYSA-N","135475884",NA,"PDBC45722","648316","Present"
-"NSC648319","","","","","","","","","","","","","","","","","","","","NSC648319","","CC(=O)C1=CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CC5=CC=CC=C5","BOPMAQPJUSUDFE-PLKPZTHQSA-N","372728",NA,"PDBC45723","648319","Present"
-"NSC648339","","","","","","","","","","","","","","","","","","","","NSC648339","","CC1=CC(=O)C2=C(N1)NS(=O)(=O)NC2=O","PFXJZIXSPAEQRD-UHFFFAOYSA-N","6711950",NA,"PDBC45724","648339","Present"
-"NSC648361","","","","","","","","","","","","","","","","","","","","NSC648361","","CC(C)(C)OC(=O)NC1CC(=O)C2=CC=CC=C2N(C1=O)CC(=O)O","UGKLHGPMJBFLFF-NSHDSACASA-N","6711951",NA,"PDBC45725","648361","Present"
-"NSC648374","","","","","","","","","","","","","","","","","","","","NSC648374","","CC1(CC(=C(C(=O)O1)C#N)C=C2C3=CC=CC=C3C(=O)O2)C","LATPGGDHRBXODC-VGOFMYFVSA-N","5467205",NA,"PDBC45726","648374","Present"
-"NSC648375","","","","","","","","","","","","","","","","","","","","NSC648375","","CC1(CC(=C(C(=O)O1)C(=O)N)C=C2C3=CC=CC=C3C(=O)O2)C","NUTMTSHKIFMGHA-KPKJPENVSA-N","5467206",NA,"PDBC45727","648375","Present"
-"NSC648415","","","","","","","","","","","","","","","","","","","","NSC648415","","CCC1CN2CCC3=C(C2CC1CC(=O)N(C)C)NC4=CC=CC=C34","JBHSXTSTBKHWGT-XAUUPUKJSA-N","372792",NA,"PDBC45728","648415","Present"
-"NSC648468","","","","","","","","","","","","","","","","","","","","NSC648468","","CC(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)C","XFZUPCITFHSROM-JHJMLUEUSA-N","372805",NA,"PDBC45729","648468","Present"
-"NSC648469","","","","","","","","","","","","","","","","","","","","NSC648469","","CC(C)(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)(C)C","DPMGLJUMNRDNMX-JHJMLUEUSA-N","372806",NA,"PDBC45730","648469","Present"
-"NSC648470","","","","","","","","","","","","","","","","","","","","NSC648470","","CCCCCCC1CCC2C(C1)CCC(C2CO)O","SXJVCPDTRXROHU-AKNDPVLGSA-N","372807",NA,"PDBC45731","648470","Present"
-"NSC648473","","","","","","","","","","","","","","","","","","","","NSC648473","","COCOC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3","GFVSKQIIHDRGOK-CVEARBPZSA-N","372810",NA,"PDBC45732","648473","Present"
-"NSC648474","","","","","","","","","","","","","","","","","","","","NSC648474","","COCOC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3","GFVSKQIIHDRGOK-AAFJCEBUSA-N","372811",NA,"PDBC45733","648474","Present"
-"NSC648476","","","","","","","","","","","","","","","","","","","","NSC648476","","C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC3=CC(=CC(=C3)F)F)CO)O","VJXVXULNRNTVSP-UHFFFAOYSA-N","372813",NA,"PDBC45734","648476","Present"
-"NSC648477","","","","","","","","","","","","","","","","","","","","NSC648477","","C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC3=CC=C(C=C3)F)CO)O","FNGINWUFVMAGTI-UHFFFAOYSA-N","372814",NA,"PDBC45735","648477","Present"
-"NSC648478","","","","","","","","","","","","","","","","","","","","NSC648478","","C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC3=C(C(=C(C(=C3F)F)F)F)F)CO)O","SAMABCWQYTYQMG-UHFFFAOYSA-N","372815",NA,"PDBC45736","648478","Present"
-"NSC648482","","","","","","","","","","","","","","","","","","","","NSC648482","","CCCOS(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2[N+](=O)[O-]","ZZULVVPCGFDUOQ-UHFFFAOYSA-N","6477364",NA,"PDBC45737","648482","Present"
-"NSC648538","","","","","","","","","","","","","","","","","","","","NSC648538","","CCOC(=O)C(=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O1)Br.CCOC(=O)C(=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O1)Br","MNWKLFGEPKJTHA-LWOGMLARSA-N","5467210",NA,"PDBC45738","648538","Present"
-"NSC648550","","","","","","","","","","","","","","","","","","","","NSC648550","","C1C(C(OC1N2C=CC(=O)NC2=O)C(CO)O)N","HDLCWWILKKWNET-UHFFFAOYSA-N","372860",NA,"PDBC45739","648550","Present"
-"NSC648556","","","","","","","","","","","","","","","","","","","","NSC648556","","CC1=CC=C(C=C1)S(=O)(=O)N2C3C=CCCC3C4=CC=CC=C42","BAZCTAUTVPNAQT-IEBWSBKVSA-N","372866",NA,"PDBC45740","648556","Present"
-"NSC648585","","","","","","","","","","","","","","","","","","","","NSC648585","","C1=CC=C2C(=C1)C(C(=O)O2)CC(=NNC(=O)N)C3=CC=CC=C3O","LPFOIVNYAIWPNX-UYRXBGFRSA-N","135499292",NA,"PDBC45741","648585","Present"
-"NSC648590","","","","","","","","","","","","","","","","","","","","NSC648590","","CC1=C(C=CC=C1Cl)NC(=O)C(=NO)C(C2=NC3=CC=CC=C3N=C2)C(=O)OC","HEBNVPAJTFXXOK-XIEYBQDHSA-N","6399340",NA,"PDBC45742","648590","Present"
-"NSC648591","","","","","","","","","","","","","","","","","","","","NSC648591","","CCOC1=CC=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=NN)C(=O)OC","UOHPOMHZHPCOMQ-IMRQLAEWSA-N","5465424",NA,"PDBC45743","648591","Present"
-"NSC648597","","","","","","","","","","","","","","","","","","","","NSC648597","","CC(=O)C1=CC=C(C=C1)NC(=O)C(=NNC(=S)N)CC(=O)C=CC2=CC=CC=C2","VAXAVVZQELEXOO-WNLZPUCHSA-N","6373592",NA,"PDBC45744","648597","Present"
-"NSC648619","","","","","","","","","","","","","","","","","","","","NSC648619","","CC1=CC=C(C=C1)NC(=O)C(=NN(C)C)C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]","BDTWIWNBXPDRRC-CJLVFECKSA-N","5465428",NA,"PDBC45745","648619","Present"
-"NSC648620","","","","","","","","","","","","","","","","","","","","NSC648620","","C1=CC=C2C(=C1)C(OC2=O)C(C(=NNC(=S)NN)C(=O)NC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]","HBURQZBWTNGUJE-ZMOGYAJESA-N","5465429",NA,"PDBC45746","648620","Present"
-"NSC648637","","","","","","","","","","","","","","","","","","","","NSC648637","","CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)NC(=O)C(=O)NN3C(=O)C4=CC=CC=C4NC3=S","HBGAIBVCUIZKKD-MUXKCCDJSA-N","5479613",NA,"PDBC45747","648637","Present"
-"NSC648651","","","","","","","","","","","","","","","","","","","","NSC648651","","C1=CC=C(C(=C1)C#N)NC(=O)C(=NNC(=O)C2=CC=NC=C2)C(C3=CN=C4C=CC(=CC4=N3)[N+](=O)[O-])[N+](=O)[O-]","WXYCTCTYUJIRLK-OFWBYEQRSA-N","5479722",NA,"PDBC45748","648651","Present"
-"NSC648657","","","","","","","","","","","","","","","","","","","","NSC648657","","C1=CC=C2C(=C1)N=CC(=N2)C(C(=NN)C(=O)NC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]","YOQHIYIFYQFBMO-IWIPYMOSSA-N","5480332",NA,"PDBC45749","648657","Present"
-"NSC648665","","","","","","","","","","","","","","","","","","","","NSC648665","","COC1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=NNC(=O)N)C(=O)OC","VWKGLTNZCPYRFM-PKAZHMFMSA-N","5481600",NA,"PDBC45750","648665","Present"
-"NSC648691","","","","","","","","","","","","","","","","","","","","NSC648691","","CCN1C(=O)C(=CC2=COC3=CC=CC=C3C2=O)SC1=S","VAUGFLQWBHLWAJ-KPKJPENVSA-N","5850093",NA,"PDBC45751","648691","Present"
-"NSC648803","","","","","","","","","","","","","","","","","","","","NSC648803","","CC1(CCC2C(C(=O)CCC1C2=C)C(=O)OC)C","KVUPVDZJHGBEDJ-GMXVVIOVSA-N","373012",NA,"PDBC45752","648803","Present"
-"NSC648847","","","","","","","","","","","","","","","","","","","","NSC648847","","CC(C1C(NC1=O)CC(=O)OC)O","HWGNGWLCPQJQBO-KGMSYRRLSA-N","373020",NA,"PDBC45753","648847","Present"
-"NSC648905","","","","","","","","","","","","","","","","","","","","NSC648905","","CC(C)(C)C1=CC(=NN=C2N(C(=CS2)C3=CC=CC=C3)C4=CC=CC=C4)C=C(C1=O)C(C)(C)C","NOEIXCINDCNTBS-QVTSOHHYSA-N","5465449",NA,"PDBC45754","648905","Present"
-"NSC648906","","","","","","","","","","","","","","","","","","","","NSC648906","","CC(C)(C)C1=CC(=NN=C2N(C(=CS2)C3=CC=CC=C3)CC4=CC=CC=C4)C=C(C1=O)C(C)(C)C","PUIKMOAPSPWPER-BLCKFSMSSA-N","5465450",NA,"PDBC45755","648906","Present"
-"NSC648907","","","","","","","","","","","","","","","","","","","","NSC648907","","CCCCN1C(=CSC1=NN=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=CC=CC=C3","OCHXXBHRGSCTPO-GNVQSUKOSA-N","5465451",NA,"PDBC45756","648907","Present"
-"NSC649002","","","","","","","","","","","","","","","","","","","","NSC649002","","C1CCN2C(C1)C3CCCCN3C2C4=CC=C(C=C4)[N+](=O)[O-]","LRKQAQJZDSNPOL-KLAILNCOSA-N","373084",NA,"PDBC45757","649002","Present"
-"NSC649005","","","","","","","","","","","","","","","","","","","","NSC649005","","CCOC(=O)C1=C(N(C(=NNC2=NC3=CC=CC=C3C=C2C4OCCO4)S1)CC5=CC=CC=C5)C","VFUOVDJREUNKDO-WCTVFOPTSA-N","5465454",NA,"PDBC45758","649005","Present"
-"NSC649012","","","","","","","","","","","","","","","","","","","","NSC649012","","CC(C)N1C2C(C(=C1C(=O)OC)C(=O)OC)N(C(=C2C(=O)OC)C(=O)OC)C(C)C","GTDXBPSKASJMBT-KBPBESRZSA-N","373092",NA,"PDBC45759","649012","Present"
-"NSC649033","","","","","","","","","","","","","","","","","","","","NSC649033","","C1=CC2=C(N=C1)N3C=CNNC3=NC2=NN","QFUWHSHBNNLUBF-UHFFFAOYSA-N","135499297",NA,"PDBC45760","649033","Present"
-"NSC649050","","","","","","","","","","","","","","","","","","","","NSC649050","","CC1=C(N2C=CSC2=N1)C(=O)NN=C3N(C(=O)CS3)C","HNKRQBARRWSIPV-KAMYIIQDSA-N","5480533",NA,"PDBC45761","649050","Present"
-"NSC649051","","","","","","","","","","","","","","","","","","","","NSC649051","","CC1=C(N2C=CSC2=N1)C(=O)NN=C3N(C(=O)CS3)CC=C","YSMVOWTZKQKSHF-SSZFMOIBSA-N","5494332",NA,"PDBC45762","649051","Present"
-"NSC649078","","","","","","","","","","","","","","","","","","","","NSC649078","","CC1C=CC(N2N1C(=O)C3=CC4=CC=CC=C4C=C3C2=O)C(=O)OC","HJBFDSYSLGUEND-BDJLRTHQSA-N","373136",NA,"PDBC45763","649078","Present"
-"NSC649093","","","","","","","","","","","","","","","","","","","","NSC649093","","COC(=O)C1C2CC3C1C(=O)OC3C2OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC","KKLDIHDNZXKKQK-ZYSCFLPZSA-N","373152",NA,"PDBC45764","649093","Present"
-"NSC649098","","","","","","","","","","","","","","","","","","","","NSC649098","","CC1(C(OC(O1)C2=CC=CC=C2)C3C4C(OC(=O)O4)ON3C)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7","OLMOTKVMGVXVCC-SZIDVJLUSA-N","6711955",NA,"PDBC45765","649098","Present"
-"NSC649114","","","","","","","","","","","","","","","","","","","","NSC649114","","CC(C)C(CCl)NC(=O)C1=NC(=CC=C1)C(=O)NC(CCl)C(C)C","VKKAHAQVNLGYOR-GICMACPYSA-N","373166",NA,"PDBC45766","649114","Present"
-"NSC649241","","","","","","","","","","","","","","","","","","","","NSC649241","","CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F","CCFUYNDERQOITP-FZVHSUQESA-N","373234",NA,"PDBC45767","649241","Present"
-"NSC649243","","","","","","","","","","","","","","","","","","","","NSC649243","","CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F","YDSBSDBHGZWKKQ-GSPCTGGFSA-N","373236",NA,"PDBC45768","649243","Present"
-"NSC649244","","","","","","","","","","","","","","","","","","","","NSC649244","","CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F","YDSBSDBHGZWKKQ-NOSHKWCISA-N","373237",NA,"PDBC45769","649244","Present"
-"NSC649245","","","","","","","","","","","","","","","","","","","","NSC649245","","CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F","CEUHXNDXXOQXQO-UUUWLHLGSA-N","373238",NA,"PDBC45770","649245","Present"
-"NSC649246","","","","","","","","","","","","","","","","","","","","NSC649246","","CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)COC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F)C)O","ISPJLWGJSVJEEH-LEJORYFXSA-N","373239",NA,"PDBC45771","649246","Present"
-"NSC649247","","","","","","","","","","","","","","","","","","","","NSC649247","","CCCN1C(=C2C=CC=CC2=C1SCC)C3=NC(=NC(=N3)F)OC4=CC5=C(C=C4)C6CCC7(C(C6CC5)CCC7(C#C)O)C","RPXOKTYWKJDGDD-LJZPUUPOSA-N","373240",NA,"PDBC45772","649247","Present"
-"NSC649310","","","","","","","","","","","","","","","","","","","","NSC649310","","[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CC2C(C1C3OCCO3)C=CC=CC2=O.[Fe]","PJIAKUCNKASXQK-RABSZCKESA-N","54608741",NA,"PDBC45773","649310","Present"
-"NSC649314","","","","","","","","","","","","","","","","","","","","NSC649314","","CNC=C(C1=CC=C(C=C1)OC)C(C2=CC(=C(C=C2)OC)OC)O","UGLPTDGOQCOHRD-VBKFSLOCSA-N","54604775",NA,"PDBC45774","649314","Present"
-"NSC649318","","","","","","","","","","","","","","","","","","","","NSC649318","","CNC=C(C1=CC=C(C=C1)OC)C(=O)C2=CC(=C(C=C2)OC)OC","HNSDIMXSKNMTRC-VBKFSLOCSA-N","54608610",NA,"PDBC45775","649318","Present"
-"NSC649319","","","","","","","","","","","","","","","","","","","","NSC649319","","","","",NA,"PDBC45776","649319","Present"
-"NSC649484","","","","","","","","","","","","","","","","","","","","NSC649484","","CCCCCCCOC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCCCCCCC[N+]3=CC=C(C=C3)C=CC4=CC=C(C=C4)OCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]","DJVROJRPKGTJPK-JDVCJPALSA-M","5467267",NA,"PDBC45777","649484","Present"
-"NSC649486","","","","","","","","","","","","","","","","","","","","NSC649486","","C1CCC(C(C1)C2CCCC(C2O)C3CCCCC3O)O","DJLVCJBIEXGIIJ-DMIRVXIJSA-N","6711972",NA,"PDBC45778","649486","Present"
-"NSC649487","","","","","","","","","","","","","","","","","","","","NSC649487","","C1CCC(=O)C(C1)C2CCCC(C2=O)C3CCCCC3=O","AYMCCGWUHXVXEX-PYHGIMPFSA-N","6711973",NA,"PDBC45779","649487","Present"
-"NSC649553","","","","","","","","","","","","","","","","","","","","NSC649553","","C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)C(=NNC(=S)N)C3C(=O)NC(=S)NC3=O","WDCKOPNOGRZXGI-DNTJNYDQSA-N","54608069",NA,"PDBC45780","649553","Present"
-"NSC649559","","","","","","","","","","","","","","","","","","","","NSC649559","","CC1=CC=C(C=C1)NC(=O)C(=NNC(=O)N)C2=C(C3=CC=CC=C3NC2=O)O","UUYXPKKUOPYIBX-HAHDFKILSA-N","135499298",NA,"PDBC45781","649559","Present"
-"NSC649571","","","","","","","","","","","","","","","","","","","","NSC649571","","COC1=CC(=C(C=C1)NC(=O)C(=NNC(=O)C[N+]2=CC=CC=C2)C3=C(C4=C(C=C(C=C4)O)OC3=O)O)[N+](=O)[O-].[Cl-]","DGNZAMLINPYIBN-UHFFFAOYSA-N","135499300",NA,"PDBC45782","649571","Present"
-"NSC649572","","","","","","","","","","","","","","","","","","","","NSC649572","","COC1=CC(=C(C=C1)NC(=O)C(=NNC(=S)N)C2C(=O)NC(=S)NC2=O)OC","ILEMGDWALLLLTE-KEBDBYFISA-N","5465487",NA,"PDBC45783","649572","Present"
-"NSC649574","","","","","","","","","","","","","","","","","","","","NSC649574","","CC(C)(C)NN=C(CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC1=O)C(=O)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","DUUGELMTIMPRDU-BIKKEBSBSA-N","5479912",NA,"PDBC45784","649574","Present"
-"NSC649581","","","","","","","","","","","","","","","","","","","","NSC649581","","C1=CC2=C(C=C1Cl)NC(=O)C(=N2)CC(=NNC(=O)N)C(=O)NC3=C(C=C(C=C3)Cl)Cl","QYSOUBGSALGQIK-CVKSISIWSA-N","5465489",NA,"PDBC45785","649581","Present"
-"NSC649758","","","","","","","","","","","","","","","","","","","","NSC649758","","CCCCCC(C=CC1C(CC2C1CC(=O)O2)N3CCOCC3)OC4CCCO4","UXFCNTGAUZGEMK-KTTNECAZSA-N","5467279",NA,"PDBC45786","649758","Present"
-"NSC649770","","","","","","","","","","","","","","","","","","","","NSC649770","","CCCN1CN(CSC1=S)C(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)C)C(=O)O","SIJFNKDGKLZGAX-LSOHHRALSA-N","135499302",NA,"PDBC45787","649770","Present"
-"NSC649771","","","","","","","","","","","","","","","","","","","","NSC649771","","CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N4CN(C(=S)SC4)C(C)C)SC1)C(=O)O","RLLDJYRKFNTHPT-LSOHHRALSA-N","6711978",NA,"PDBC45788","649771","Present"
-"NSC649772","","","","","","","","","","","","","","","","","","","","NSC649772","","CCCN1CN(CSC1=S)C(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(=C(CS4)C)C(=O)O","VXYWHKHEAVFWAM-MNQXGVLQSA-N","6711979",NA,"PDBC45789","649772","Present"
-"NSC649773","","","","","","","","","","","","","","","","","","","","NSC649773","","CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N4CN(C(=S)SC4)C(C)C)SC1)C(=O)O","AXUHBKPZJHTHPF-MNQXGVLQSA-N","6711980",NA,"PDBC45790","649773","Present"
-"NSC649774","","","","","","","","","","","","","","","","","","","","NSC649774","","CCCN1CN(CSC1=S)C(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O","DXSWMQGENGTFMW-YZWVMBDNSA-N","135499303",NA,"PDBC45791","649774","Present"
-"NSC649775","","","","","","","","","","","","","","","","","","","","NSC649775","","CC(C)N1CN(CSC1=S)C(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O","MDXYRYAVESSDPS-YZWVMBDNSA-N","6711982",NA,"PDBC45792","649775","Present"
-"NSC649776","","","","","","","","","","","","","","","","","","","","NSC649776","","CCCN1CN(CSC1=S)C(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O","IRUWZZNOSLXSML-YZWVMBDNSA-N","135499304",NA,"PDBC45793","649776","Present"
-"NSC649777","","","","","","","","","","","","","","","","","","","","NSC649777","","CC(C)N1CN(CSC1=S)C(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O","HLOVLXOMEHUUPK-YZWVMBDNSA-N","6711984",NA,"PDBC45794","649777","Present"
-"NSC649801","","","","","","","","","","","","","","","","","","","","NSC649801","","C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)NC3=CC=CC=C3OC.[Cl-]","ZJDUCTPQAXKWLD-UHFFFAOYSA-N","5479979",NA,"PDBC45795","649801","Present"
-"NSC649802","","","","","","","","","","","","","","","","","","","","NSC649802","","CC1=C(C=C(C=C1)NC(=O)C(=NNC(=O)C[N+](C)(C)C)CC2=CC(=O)OC3=C2C=CC(=C3)O)C.[Cl-]","BVQLLIZDPVGQOA-UHFFFAOYSA-N","5479981",NA,"PDBC45796","649802","Present"
-"NSC649806","","","","","","","","","","","","","","","","","","","","NSC649806","","C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1O)C(=O)NC3=C(C=C(C=C3)OC)OC.[Cl-]","ZAPUOHXEPXJQMB-UHFFFAOYSA-N","5479983",NA,"PDBC45797","649806","Present"
-"NSC649807","","","","","","","","","","","","","","","","","","","","NSC649807","","C1=CC(=CC=C1NC(=O)C(=NNC(=S)N)CC2=NC3=C(C=C(C=C3)Cl)NC2=O)Cl","DIHUEANORPOBQD-MFKUBSTISA-N","5465493",NA,"PDBC45798","649807","Present"
-"NSC649808","","","","","","","","","","","","","","","","","","","","NSC649808","","CC1=CC(=C(C=C1)NC(=O)C(=NNC(=O)C[N+]2=CC=CC=C2)CC3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)C.[Cl-]","YTQQJGOVAVAUBQ-UHFFFAOYSA-N","54600886",NA,"PDBC45799","649808","Present"
-"NSC649810","","","","","","","","","","","","","","","","","","","","NSC649810","","C[N+](C)(C)CC(=O)NN=C(CC(=O)CC(C1=C(C2=CC=CC=C2OC1)O)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Cl.[Cl-]","BYNXJJRZUKKFOW-UHFFFAOYSA-N","9555901",NA,"PDBC45800","649810","Present"
-"NSC649812","","","","","","","","","","","","","","","","","","","","NSC649812","","CC1=C(C(=CC=C1)C)NC(=O)C(=NO)CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","MMLFXOGJGBIQEQ-UQRQXUALSA-N","54692433",NA,"PDBC45801","649812","Present"
-"NSC649816","","","","","","","","","","","","","","","","","","","","NSC649816","","CC1=CC=C(C=C1)NC(=O)C(=NNC(C)(C)C)CC2C(N=C3C=CC4=C(C5=CC=CC=C5C(=C4C3=N2)O)O)O","DZBVZBDQTBGYJF-PPFNPFNJSA-N","135499305",NA,"PDBC45802","649816","Present"
-"NSC649824","","","","","","","","","","","","","","","","","","","","NSC649824","","C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=NNC(=O)N)CC2=CC(=O)OC3=C2C=CC(=C3)O","YRSWRKLYEFMCGQ-BUVRLJJBSA-N","5465495",NA,"PDBC45803","649824","Present"
-"NSC649830","","","","","","","","","","","","","","","","","","","","NSC649830","","CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=NO)CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","YTKUIBWWTCQQCX-ROMHNNFLSA-N","54692435",NA,"PDBC45804","649830","Present"
-"NSC649836","","","","","","","","","","","","","","","","","","","","NSC649836","","CC1=CC=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=NNC(=O)N)C(=O)OC","VPAHOSCJAXNCHK-PPFNPFNJSA-N","5465497",NA,"PDBC45805","649836","Present"
-"NSC649838","","","","","","","","","","","","","","","","","","","","NSC649838","","CC1=C(SC(=N1)C(=S)N)C(=NNC(=O)C2=CC=NC=C2)CC(=O)C(=O)NC3=CC=CC4=C3C=C(C=C4)O","PINIBNOVSFLMEK-FSGOGVSDSA-N","9554689",NA,"PDBC45806","649838","Present"
-"NSC649901","","","","","","","","","","","","","","","","","","","","NSC649901","","CN1C(=O)C(C2=NC3=CC=CC=C3N2C1=O)(N=[N+]=[N-])N=[N+]=[N-]","JRCTYJWPPKXNIG-UHFFFAOYSA-N","355879",NA,"PDBC45807","649901","Present"
-"NSC649970","","","","","","","","","","","","","","","","","","","","NSC649970","","CC1=C2C3COC4=CC=CC=C4C3OC2=CC(=C1O)OC","MOTRDZXGAHLQSQ-PIGZYNQJSA-N","373517",NA,"PDBC45808","649970","Present"
-"NSC649972","","","","","","","","","","","","","","","","","","","","NSC649972","","COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5","YLZYAUCOYZKLMA-SJKOYZFVSA-N","373519",NA,"PDBC45809","649972","Present"
-"NSC649973","","","","","","","","","","","","","","","","","","","","NSC649973","","COC1=CC(=O)C2C3COC4=CC=CC=C4C3C2C1=O","YTIXKXBJSQXELS-VXWAXNFESA-N","373520",NA,"PDBC45810","649973","Present"
-"NSC649974","","","","","","","","","","","","","","","","","","","","NSC649974","","CC1(C2C(C3C2C(=O)C=C(C3=O)OC)C4=CC=CC=C4O1)C","UJWOEWQVFNLPNY-LBDPXKHJSA-N","373521",NA,"PDBC45811","649974","Present"
-"NSC649975","","","","","","","","","","","","","","","","","","","","NSC649975","","CC1C(OC2=C1C=C(C=C2)O)C3=CC(=C(C=C3)OC)OC","OJYXMOVKHAFYBH-YOZOHBORSA-N","373522",NA,"PDBC45812","649975","Present"
-"NSC649976","","","","","","","","","","","","","","","","","","","","NSC649976","","CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC=C(C=C3)OC","GNKJCSKSYGABME-YOZOHBORSA-N","373523",NA,"PDBC45813","649976","Present"
-"NSC649977","","","","","","","","","","","","","","","","","","","","NSC649977","","CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC=CC=C3OC","QHWWCAFEEBCBHX-YOZOHBORSA-N","373524",NA,"PDBC45814","649977","Present"
-"NSC649978","","","","","","","","","","","","","","","","","","","","NSC649978","","CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC(=C(C=C3)OC)OC","YELZOBATXOVYIK-APDXDRDNSA-N","373525",NA,"PDBC45815","649978","Present"
-"NSC649979","","","","","","","","","","","","","","","","","","","","NSC649979","","CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC=C(C=C3)Cl","ZPISPGQVKRSJNK-XUOZKRPMSA-N","373526",NA,"PDBC45816","649979","Present"
-"NSC649980","","","","","","","","","","","","","","","","","","","","NSC649980","","CC1C(OC2=CC(=C(C(=C12)C)O)OC)C3=CC=C(C=C3)OC","OZXLMLXPYBYMSL-SSJGJQFISA-N","373527",NA,"PDBC45817","649980","Present"
-"NSC649981","","","","","","","","","","","","","","","","","","","","NSC649981","","CC1C(OC2=C(C(=C(C=C12)O)OC)C)C3=CC(=C(C=C3)OC)OC","MVMPXFIUJRKPNQ-YOZOHBORSA-N","373528",NA,"PDBC45818","649981","Present"
-"NSC649982","","","","","","","","","","","","","","","","","","","","NSC649982","","CC1C(C2C1C(=O)C=CC2=O)C3=CC(=C(C=C3)OC)OC","CRTMZELYUJTTGD-QRELXHCTSA-N","373529",NA,"PDBC45819","649982","Present"
-"NSC649983","","","","","","","","","","","","","","","","","","","","NSC649983","","CC1C(C2C1C(=O)C=C(C2=O)OC)C3=CC(=C(C=C3)OC)OC","RWEAKXVIDIGXGD-QRELXHCTSA-N","373530",NA,"PDBC45820","649983","Present"
-"NSC649984","","","","","","","","","","","","","","","","","","","","NSC649984","","CC1C(C2C1C(=O)C=C(C2=O)OC)C3=CC=C(C=C3)Cl","VEBNWWHDKABEOT-UZHNVFPFSA-N","373531",NA,"PDBC45821","649984","Present"
-"NSC649985","","","","","","","","","","","","","","","","","","","","NSC649985","","CC1C(C2C1C(=O)C=C(C2=O)OC)C3=CC=CC=C3","FXGRHVYORAQGKF-YKQYAQRKSA-N","373532",NA,"PDBC45822","649985","Present"
-"NSC649986","","","","","","","","","","","","","","","","","","","","NSC649986","","CC1C(C2C1C(=O)C(=C(C2=O)OC)C)C3=CC(=C(C=C3)OC)OC","MWPBTBVKSUTUTJ-WNFKFWPQSA-N","373533",NA,"PDBC45823","649986","Present"
-"NSC649987","","","","","","","","","","","","","","","","","","","","NSC649987","","CC1C(C2(C1C(=O)C=C(C2=O)OC)C)C3=CC=CC=C3","HYVNVJZTOJCXSS-NPQOPSBLSA-N","373534",NA,"PDBC45824","649987","Present"
-"NSC649988","","","","","","","","","","","","","","","","","","","","NSC649988","","CC1C(C2C1(C(=O)C=C(C2=O)OC)C)C3=CC=CC=C3","YZNPDKLMRJVDJS-KJFQIRSCSA-N","373535",NA,"PDBC45825","649988","Present"
-"NSC649989","","","","","","","","","","","","","","","","","","","","NSC649989","","CC1C(C2(C1C(=O)C(=CC2=O)OC)C)C3=CC=CC=C3","FDAAKNZTLXVOAY-ZSQADZGTSA-N","373536",NA,"PDBC45826","649989","Present"
-"NSC649990","","","","","","","","","","","","","","","","","","","","NSC649990","","CC1C(C2(C1C(=O)C(=CC2=O)OC)C)C3=CC=C(C=C3)OC","OJLYVQNVJQRDST-DHDSUBDKSA-N","373537",NA,"PDBC45827","649990","Present"
-"NSC649991","","","","","","","","","","","","","","","","","","","","NSC649991","","COC1=CC(=O)C2C3CC4=CC=CC=C4C3C2C1=O","QKAJQOCEXLULNU-IVWOWJMFSA-N","373538",NA,"PDBC45828","649991","Present"
-"NSC649992","","","","","","","","","","","","","","","","","","","","NSC649992","","CC12C3C(C1C(=O)C=C(C2=O)OC)CC4=CC=CC=C34","SXNJKKHAGOOUMD-PNIKOYRFSA-N","373539",NA,"PDBC45829","649992","Present"
-"NSC650076","","","","","","","","","","","","","","","","","","","","NSC650076","","C1=C(C2=C(N1)C(=O)NC=N2)C3C(C(C(O3)CO)O)O.Cl","GDAGAPMUKSNUMR-UHFFFAOYSA-N","135499306",NA,"PDBC45830","650076","Present"
-"NSC650296","","","","","","","","","","","","","","","","","","","","NSC650296","","COCOC1CCCCC1(C2=CC=CC=C2)OCCOCCOC3(CCCCC3OCOC)C4=CC=CC=C4","OKOFNYZUBZALER-VZMZSXMMSA-N","6711989",NA,"PDBC45831","650296","Present"
-"NSC650356","","","","","","","","","","","","","","","","","","","","NSC650356","","CCN1C2=CC=CC=C2C3=C1C4C(CC3C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC=C6","ZFQMXFQCOWJIPP-PQXIJOGNSA-N","373636",NA,"PDBC45832","650356","Present"
-"NSC650361","","","","","","","","","","","","","","","","","","","","NSC650361","","CC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","VKTZBDQRVLTQFN-PEZGLPSVSA-N","373641",NA,"PDBC45833","650361","Present"
-"NSC650364","","","","","","","","","","","","","","","","","","","","NSC650364","","COC1=CC=C(C=C1)C2CC3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","ALSNHYHZSIFBLT-PQXIJOGNSA-N","373644",NA,"PDBC45834","650364","Present"
-"NSC650463","","","","","","","","","","","","","","","","","","","","NSC650463","","CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)O.Br","UFTUNAKMYFOIEJ-UHFFFAOYSA-N","373667",NA,"PDBC45835","650463","Present"
-"NSC650469","","","","","","","","","","","","","","","","","","","","NSC650469","","CCC12C=CCN3C1C4(CC3)C5=CC=CC=C5NC4=C(C2NC6=C7C(=NC=N6)N(C=N7)C8C(C(C(O8)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC","MQDLQYBMCGHXCR-GGSFUFBMSA-N","373674",NA,"PDBC45836","650469","Present"
-"NSC650470","","","","","","","","","","","","","","","","","","","","NSC650470","","CCC12C=CCN3C1C4(CC3)C5=CC=CC=C5NC4=C(C2NC6=NC(=O)N(C=C6)C7C(C(C(O7)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC","SHIHTQHXHZXWJD-RDOIOSGHSA-N","373675",NA,"PDBC45837","650470","Present"
-"NSC650576","","","","","","","","","","","","","","","","","","","","NSC650576","","C1C(=O)N=C(S1)C(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3","NNMKULLTADOZFY-JLHYYAGUSA-N","6111170",NA,"PDBC45838","650576","Present"
-"NSC650577","","","","","","","","","","","","","","","","","","","","NSC650577","","C1C(=O)N=C(S1)C(=NNC2=CC=CC=C2)C3=NC4=CC=CC=C4N3","WFPIZQNOOFJDCX-PXLXIMEGSA-N","135408960",NA,"PDBC45839","650577","Present"
-"NSC650595","","","","","","","","","","","","","","","","","","","","NSC650595","","COC1=C(C=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C=NO)OC","NHKNWQYJZGAGRG-RDEUSQHUSA-N","5896935",NA,"PDBC45840","650595","Present"
-"NSC650630","","","","","","","","","","","","","","","","","","","","NSC650630","","C1=CC=C(C=C1)[P+](CCSCCSCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]","BVEMKGPAWFQUMO-UHFFFAOYSA-M","373728",NA,"PDBC45841","650630","Present"
-"NSC650631","","","","","","","","","","","","","","","","","","","","NSC650631","","C1=CC=C(C=C1)[P+](CCNCCNCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]","QJVZHTSWFLUDHP-UHFFFAOYSA-M","373730",NA,"PDBC45842","650631","Present"
-"NSC650642","","","","","","","","","","","","","","","","","","","","NSC650642","","C1C(SC(CO1)CS)CS","QHRIBVBFVXWWIM-OLQVQODUSA-N","373743",NA,"PDBC45843","650642","Present"
-"NSC650707","","","","","","","","","","","","","","","","","","","","NSC650707","","CC1=C2C3(CCC1N4N3C(=O)N(C4=O)C)C5CN2N6N5C(=O)N(C6=O)C","ATGJSFVWLWGINF-OSPBMLLASA-N","373753",NA,"PDBC45844","650707","Present"
-"NSC650710","","","","","","","","","","","","","","","","","","","","NSC650710","","CC1C(CC2C1C3C(CCC2(C)OC(=O)C)C(C(=O)O3)C)O","ZTBZCOXVNCZCFN-SWIYFCQOSA-N","6711992",NA,"PDBC45845","650710","Present"
-"NSC650743","","","","","","","","","","","","","","","","","","","","NSC650743","","CC1(CC(C(C(C1)(C)C)O)C2CC(CC(C2O)(C)C)(C)C)C","GVBJCHUGNWBOHA-STONLHKKSA-N","373779",NA,"PDBC45846","650743","Present"
-"NSC650751","","","","","","","","","","","","","","","","","","","","NSC650751","","CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCC5=CC6=C(C7=C(CC6)C(=C8CCCC(=CC9=CC=CC=C9)C8=N7)CCCC)N=C54","GNYAZJNXOJRBEE-YHNORJNTSA-N","5467332",NA,"PDBC45847","650751","Present"
-"NSC650752","","","","","","","","","","","","","","","","","","","","NSC650752","","CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCC5=CC(=C(N=C54)N)C=O.Cl","CJJWJOBAXXFEIT-QTCZRQAZSA-N","5467333",NA,"PDBC45848","650752","Present"
-"NSC650755","","","","","","","","","","","","","","","","","","","","NSC650755","","CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCC5=CC6=CC7=C(C8=C(CC7)C(=C9CCCC(=CC1=CC=CC=C1)C9=N8)CCCC)N=C6N=C54","AFMAFNKUKLUWAO-ZRBLUKEISA-N","5467337",NA,"PDBC45849","650755","Present"
-"NSC650757","","","","","","","","","","","","","","","","","","","","NSC650757","","CCCCC1=C2CCC(=CC3=CC=CC=C3)C(=O)C2=NC4=C1CCCC4","MKYYMYHNGVVXFN-FBMGVBCBSA-N","5467338",NA,"PDBC45850","650757","Present"
-"NSC650758","","","","","","","","","","","","","","","","","","","","NSC650758","","CCCCC1=C2CCC(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C2=NC4=C1CCCC4","SAMIHZDNFZDXBU-BMRADRMJSA-N","5467339",NA,"PDBC45851","650758","Present"
-"NSC650785","","","","","","","","","","","","","","","","","","","","NSC650785","","C1CCC2C(C1)SCCCSCCSCCCS2","FXFGLYRNCVPDND-KWCCSABGSA-N","373822",NA,"PDBC45852","650785","Present"
-"NSC650787","","","","","","","","","","","","","","","","","","","","NSC650787","","C1CCC2C(C1)SCCCSCCSS2","JEFHIEBTVCZJLN-RRKGBCIJSA-N","373824",NA,"PDBC45853","650787","Present"
-"NSC650789","","","","","","","","","","","","","","","","","","","","NSC650789","","C1CCC2C(C1)SSC3CCCCC3SS2","VPXVMQIMFNESNB-HBIQZDMRSA-N","373826",NA,"PDBC45854","650789","Present"
-"NSC650797","","","","","","","","","","","","","","","","","","","","NSC650797","","C1CSCC2COCC(S2)CSCCS1","NQJITJAXBXYDDR-AOOOYVTPSA-N","373834",NA,"PDBC45855","650797","Present"
-"NSC650825","","","","","","","","","","","","","","","","","","","","NSC650825","","CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C","XBPAWLOIOIZXJC-UHFFFAOYSA-N","373862",NA,"PDBC45856","650825","Present"
-"NSC650873","","","","","","","","","","","","","","","","","","","","NSC650873","","CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(=O)NCCCCCCNC(=O)OC(C)(C)C2=CC=C(C=C2)C3=CC=CC=C3)N4C=NC5=C4N=CNC5=O","XNZNOMAAPCEKGO-UHFFFAOYSA-N","135408965",NA,"PDBC45857","650873","Present"
-"NSC650876","","","","","","","","","","","","","","","","","","","","NSC650876","","CCCCCC#COC1CC(CCC1C(C)C)C","WNHSZEDZLLRHMD-AQFXKWCLSA-N","373884",NA,"PDBC45858","650876","Present"
-"NSC650905","","","","","","","","","","","","","","","","","","","","NSC650905","","C1=CN(C(=N1)[N+](=O)[O-])CC2C(C(C(C(O2)N3C=CN=C3[N+](=O)[O-])O)O)O","WEJXWSFQNJZJHV-UHFFFAOYSA-N","373897",NA,"PDBC45859","650905","Present"
-"NSC650944","","","","","","","","","","","","","","","","","","","","NSC650944","","CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C","QMNWISYXSJWHRY-PTWRMAPTSA-N","373916",NA,"PDBC45860","650944","Present"
-"NSC650971","","","","","","","","","","","","","","","","","","","","NSC650971","","C1=CC=C(C=C1)C2=NC3=C(N2)C(=NS(=O)(=O)N3)N","HWOAHFPUNSYORN-UHFFFAOYSA-N","135408967",NA,"PDBC45861","650971","Present"
-"NSC650972","","","","","","","","","","","","","","","","","","","","NSC650972","","[Li+].CCCCCCCCC(C1=CC=C(S1)C=CC(CCCC(=O)O)O)O","MHNKENMBTWEXKJ-USGGBSEESA-N","54600901",NA,"PDBC45862","650972","Present"
-"NSC650979","","","","","","","","","","","","","","","","","","","","NSC650979","","CCOC(=O)C1CSCC(N1)C(=O)OC","BCTZIPOTCYFCKC-NKWVEPMBSA-N","6712000",NA,"PDBC45863","650979","Present"
-"NSC650980","","","","","","","","","","","","","","","","","","","","NSC650980","","C1=CC=C2C(=C1)C=C3C4C(C(=O)N4C5=CC=CC=C5OC3=N2)Cl","QBJODZROSBYVHG-HZPDHXFCSA-N","6712001",NA,"PDBC45864","650980","Present"
-"NSC650993","","","","","","","","","","","","","","","","","","","","NSC650993","","CC(=O)OCC1C(C(C(C(O1)N2C3=NNN=C3C(=O)NC2=O)OC(=O)C)OC(=O)C)OC(=O)C","RVNWIFWWWPAOCB-UHFFFAOYSA-N","373962",NA,"PDBC45865","650993","Present"
-"NSC651007","","","","","","","","","","","","","","","","","","","","NSC651007","","CC(CCC1C(S1)(C)C)C2CCC3(C2(CCC4=C3CCC5C4(CCC(C5(C)C)O)C)C)C","GVPPAVINGHXLKM-FIIWSTMCSA-N","6712002",NA,"PDBC45866","651007","Present"
-"NSC651031","","","","","","","","","","","","","","","","","","","","NSC651031","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(C)O)N3C=NC=N3","UUKCXTBOFZZPRV-UHFFFAOYSA-N","373994",NA,"PDBC45867","651031","Present"
-"NSC651081","","","","","","","","","","","","","","","","","","","","NSC651081","","CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)O)NC(=O)C","WRAMKCTUNQLRAM-UHFFFAOYSA-N","374007",NA,"PDBC45868","651081","Present"
-"NSC651083","","","","","","","","","","","","","","","","","","","","NSC651083","","CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)CCl)NC(=O)C","QRMDOHVWPHIYAC-UHFFFAOYSA-N","374009",NA,"PDBC45869","651083","Present"
-"NSC651084","","","","","","","","","","","","","","","","","","","","NSC651084","","CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)COC)NC(=O)C","IEGPEJKOKNPIHK-UHFFFAOYSA-N","374010",NA,"PDBC45870","651084","Present"
-"NSC651085","","","","","","","","","","","","","","","","","","","","NSC651085","","CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C4=CC=CC=C4)NC(=O)C","WEGRWWZXLSYSBE-UHFFFAOYSA-N","374011",NA,"PDBC45871","651085","Present"
-"NSC651316","","","","","","","","","","","","","","","","","","","","NSC651316","","CC1CCC2C1C(OC(=O)C2)C3C4CCC(C4C(OC3=O)C5=CCCC5)C","PNQRQHZSONLAAC-YNQVTCMJSA-N","374060",NA,"PDBC45872","651316","Present"
-"NSC651317","","","","","","","","","","","","","","","","","","","","NSC651317","","CCOC(=O)C(=CC=C1C=CNC2=NCCN12)C#N","KYCCQEPHQYGGBL-ABRIWZISSA-N","5467360",NA,"PDBC45873","651317","Present"
-"NSC651319","","","","","","","","","","","","","","","","","","","","NSC651319","","CC1(OC(C(O1)CCC=CCO)CCC=CCO)C","CEKVLJSMOOEKNE-UPFFOMSQSA-N","5467361",NA,"PDBC45874","651319","Present"
-"NSC651320","","","","","","","","","","","","","","","","","","","","NSC651320","","CC1C=C(C(=O)O1)CCCCCCCCCCCCC(C2CCC(O2)C3CCC(O3)C(CCCCCCCCCCCCC4=CC(OC4=O)C)O)O","NDAWFQZVUILIMC-OWPIMANPSA-N","374064",NA,"PDBC45875","651320","Present"
-"NSC651324","","","","","","","","","","","","","","","","","","","","NSC651324","","CC1(OC(CC(O1)C#N)CCl)C","GGUJVQFTHIKTRP-RNFRBKRXSA-N","6712006",NA,"PDBC45876","651324","Present"
-"NSC651325","","","","","","","","","","","","","","","","","","","","NSC651325","","CC1(OC(CC(O1)C#N)CC2(CC(OC(O2)(C)C)CCl)C#N)C","QOWDBEAYGOCECS-OQMKEHIESA-N","6712007",NA,"PDBC45877","651325","Present"
-"NSC651326","","","","","","","","","","","","","","","","","","","","NSC651326","","CC1(OC(CC(O1)(CC=C)C#N)CC2(CC(OC(O2)(C)C)CCl)C#N)C","JLPYLHCZOCLFRU-VVWQDTPRSA-N","54604784",NA,"PDBC45878","651326","Present"
-"NSC651327","","","","","","","","","","","","","","","","","","","","NSC651327","","CCCCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC=C)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC","OXGGBELMJKZUBN-KFLVAVFTSA-N","374068",NA,"PDBC45879","651327","Present"
-"NSC651329","","","","","","","","","","","","","","","","","","","","NSC651329","","CC(C)[Si](C(C)C)(C(C)C)OCC1CC(OC(O1)(C)C)CC2CC(OC(O2)(C)C)CC3CC(OC(O3)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C","OEFQNGCHHAIRRS-JEZMJEHPSA-N","374070",NA,"PDBC45880","651329","Present"
-"NSC651330","","","","","","","","","","","","","","","","","","","","NSC651330","","CC1(OC(CC(O1)C#N)CCl)C","GGUJVQFTHIKTRP-RQJHMYQMSA-N","6712009",NA,"PDBC45881","651330","Present"
-"NSC651331","","","","","","","","","","","","","","","","","","","","NSC651331","","CC1(OC(CC(O1)CC2(CC(OC(O2)(C)C)CCl)C#N)CC3(CC(OC(O3)(C)C)CCl)C#N)C","QRQJMYPKSQCRNW-OKJKAMIVSA-N","54608539",NA,"PDBC45882","651331","Present"
-"NSC651359","","","","","","","","","","","","","","","","","","","","NSC651359","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(N=CN1)N=NN(C)C","UWULJLFDMFZOLZ-MEFNJXNFSA-N","135499318",NA,"PDBC45883","651359","Present"
-"NSC651361","","","","","","","","","","","","","","","","","","","","NSC651361","","CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)[N+](=O)[O-]","QQXNWGBZNQLWBB-NSHDSACASA-N","135408974",NA,"PDBC45884","651361","Present"
-"NSC651363","","","","","","","","","","","","","","","","","","","","NSC651363","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(NC=N1)[N+](=O)[O-]","LQPKBADOUWEJPO-QMMMGPOBSA-N","135408976",NA,"PDBC45885","651363","Present"
-"NSC651421","","","","","","","","","","","","","","","","","","","","NSC651421","","CC(=O)OCC1C(C(C(C(O1)N2C(C(C2=O)OC3=CC=CC=C3)C=CC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","MZAVUYIKPOMIAJ-OPIRCSDXSA-N","11970000",NA,"PDBC45886","651421","Present"
-"NSC651491","","","","","","","","","","","","","","","","","","","","NSC651491","","CC(C1C(C(=O)N1C(C2=CC=C(C=C2)OC)C(=O)OC)NC(=O)C3=CC=CC=C3)O","DIXGZIXIDMCOKM-NEUCPAETSA-N","6712012",NA,"PDBC45887","651491","Present"
-"NSC651560","","","","","","","","","","","","","","","","","","","","NSC651560","","CCC12C(=NOC1(CC(=N2)N(C)C)O)C","HFTAUSUTRQOYJK-UWVGGRQHSA-N","374134",NA,"PDBC45888","651560","Present"
-"NSC651591","","","","","","","","","","","","","","","","","","","","NSC651591","","CC(=NOC(=O)C1=CC=CC=C1)CCN(C)C.Cl","MHVPLROOFJWISR-JHGYPSGKSA-N","20836486",NA,"PDBC45889","651591","Present"
-"NSC651592","","","","","","","","","","","","","","","","","","","","NSC651592","","CN(C)CC1CCCC(C1=NOC(=O)C2=CC=CC=C2)CN(C)C.Cl","DZSNUHPPSXSHLU-UHFFFAOYSA-N","374140",NA,"PDBC45890","651592","Present"
-"NSC651641","","","","","","","","","","","","","","","","","","","","NSC651641","","C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)O","NADFAJBDQOIGEK-UHFFFAOYSA-N","374166",NA,"PDBC45891","651641","Present"
-"NSC651646","","","","","","","","","","","","","","","","","","","","NSC651646","","C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)NC(=O)CCl)Cl","MHJKTYAIXNKDHU-VXLYETTFSA-N","9574065",NA,"PDBC45892","651646","Present"
-"NSC651657","","","","","","","","","","","","","","","","","","","","NSC651657","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)OC","CFUGHBUMEYSBNF-UHFFFAOYSA-N","374181",NA,"PDBC45893","651657","Present"
-"NSC651663","","","","","","","","","","","","","","","","","","","","NSC651663","","CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C=CC3=CC=CC=C3","VJBMUESHSPZPMA-KPKJPENVSA-N","5803363",NA,"PDBC45894","651663","Present"
-"NSC651748","","","","","","","","","","","","","","","","","","","","NSC651748","","CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O.Br","MPDLWUNLEDXHFA-UHFFFAOYSA-N","374248",NA,"PDBC45895","651748","Present"
-"NSC651813","","","","","","","","","","","","","","","","","","","","NSC651813","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCCCN(CCCSC5C(C(C(C(O5)CO)O)O)O)O)C)C","DPGMQUFANJGANG-CZBQLAETSA-N","374294",NA,"PDBC45896","651813","Present"
-"NSC651814","","","","","","","","","","","","","","","","","","","","NSC651814","","CC1=CN(C(=O)NC1=O)C2CC3C(O2)COCN3O","XPWHXCAXOARGSM-UHFFFAOYSA-N","374295",NA,"PDBC45897","651814","Present"
-"NSC651815","","","","","","","","","","","","","","","","","","","","NSC651815","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N(CC3=CC=CC=C3)O","IGGPQIKMNQRCLB-UHFFFAOYSA-N","374296",NA,"PDBC45898","651815","Present"
-"NSC651816","","","","","","","","","","","","","","","","","","","","NSC651816","","CC1(OC2C3C(COP(=O)(O3)N(CCCl)CCCl)OC2O1)C","YSYRTTLOJUVIIT-UHFFFAOYSA-N","374297",NA,"PDBC45899","651816","Present"
-"NSC651836","","","","","","","","","","","","","","","","","","","","NSC651836","","CC(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","VDYDCVUWILIYQF-RNJXMRFFSA-N","6712017",NA,"PDBC45900","651836","Present"
-"NSC651837","","","","","","","","","","","","","","","","","","","","NSC651837","","CCN(CC)CC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CN(CC)CC.CC(=O)O","TWOQBHPXCAMKDD-UHFFFAOYSA-N","374308",NA,"PDBC45901","651837","Present"
-"NSC651838","","","","","","","","","","","","","","","","","","","","NSC651838","","CC(=O)O.C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCCCC5","RRFJPQUUXAAHCG-UHFFFAOYSA-N","374309",NA,"PDBC45902","651838","Present"
-"NSC651839","","","","","","","","","","","","","","","","","","","","NSC651839","","CCN(CC)CCC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CCN(CC)CC.CC(=O)O","PJENTVJMSAUIFJ-UHFFFAOYSA-N","374310",NA,"PDBC45903","651839","Present"
-"NSC651840","","","","","","","","","","","","","","","","","","","","NSC651840","","CC(=O)O.C1CCN(C(C1)CCO)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCCCC5CCO","BZEXHRDIPIHBHM-UHFFFAOYSA-N","374312",NA,"PDBC45904","651840","Present"
-"NSC651841","","","","","","","","","","","","","","","","","","","","NSC651841","","CC(=O)O.C1CN(CCC1CCO)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCC(CC5)CCO","AEXOUXVFWGZCHL-UHFFFAOYSA-N","374314",NA,"PDBC45905","651841","Present"
-"NSC651842","","","","","","","","","","","","","","","","","","","","NSC651842","","CC(=O)O.C1CCN(C(C1)CO)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCCCC5CO","YTXITPGMVJQOBX-UHFFFAOYSA-N","374316",NA,"PDBC45906","651842","Present"
-"NSC651847","","","","","","","","","","","","","","","","","","","","NSC651847","","CCC(COC(=O)CCC(C(=O)N)NC(=O)C(C)NC(=O)C(C)OC1C(C(OC(C1O)CO)OCC2=CC=CC=C2)NC(=O)C)NC3C4=CC=CC=C4NC5=C3C(=CC=C5)[N+](=O)[O-]","ALBKXXNDZXDQOD-UKQHGPRESA-N","374323",NA,"PDBC45907","651847","Present"
-"NSC651848","","","","","","","","","","","","","","","","","","","","NSC651848","","CC(C(=O)NC(CCC(=O)OC)C(=O)N)NC(=O)COC1C(C(OC(C1O)COC(=O)CCCCCCCCCCNC(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=O)C=CC(=C4)Br)OCC5=CC=CC=C5)NC(=O)C","SVLIDTGRQCJMDJ-JUNGTQMHSA-N","374324",NA,"PDBC45908","651848","Present"
-"NSC651915","","","","","","","","","","","","","","","","","","","","NSC651915","","CN1C=NC(=N1)CCC2=CC=CC=C2.Cl","AUVPSAUOGMXHFT-UHFFFAOYSA-N","374340",NA,"PDBC45909","651915","Present"
-"NSC651916","","","","","","","","","","","","","","","","","","","","NSC651916","","CN1C(=NC=N1)CCC2=CC=CC=C2.Cl","HDKIMPKBUKYQNU-UHFFFAOYSA-N","374342",NA,"PDBC45910","651916","Present"
-"NSC651918","","","","","","","","","","","","","","","","","","","","NSC651918","","C1=CC(=CC=C1CCN2C=NC=N2)Cl.Cl","OHMFGXYSQRYZSZ-UHFFFAOYSA-N","374345",NA,"PDBC45911","651918","Present"
-"NSC651920","","","","","","","","","","","","","","","","","","","","NSC651920","","CN1C=CN=C1CCC2=CC(=C(C=C2)Cl)Cl.Cl","KBQBGXBYGGFZNZ-UHFFFAOYSA-N","374347",NA,"PDBC45912","651920","Present"
-"NSC651921","","","","","","","","","","","","","","","","","","","","NSC651921","","CN1C=CN=C1CCC2=C(C=CC=C2Cl)Cl.Cl","NNUGCQCPVCGXQB-UHFFFAOYSA-N","374349",NA,"PDBC45913","651921","Present"
-"NSC652027","","","","","","","","","","","","","","","","","","","","NSC652027","","COC1=CC=C(C=C1)C=NNC(=C2C(=N)N(C(=C(C#N)C#N)S2)C3=CC=CC=C3)O","NSIVGMRMZBNHRP-BVUBMYBLSA-N","135434064",NA,"PDBC45914","652027","Present"
-"NSC652028","","","","","","","","","","","","","","","","","","","","NSC652028","","CCOC(=O)C(=C1N(C(=N)C(=C(NN=CC2=CC=C(C=C2)OC)O)S1)C3=CC=CC=C3)C#N","KPMGYHRSPUYDFJ-SYHWIDHXSA-N","135499326",NA,"PDBC45915","652028","Present"
-"NSC652030","","","","","","","","","","","","","","","","","","","","NSC652030","","CCOC(=O)C(=C1N(C2=C(S1)C(=O)N(C=N2)N=CC3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N","WSZRJYQCZHMVAK-TZZLTZKDSA-N","9571785",NA,"PDBC45916","652030","Present"
-"NSC652033","","","","","","","","","","","","","","","","","","","","NSC652033","","CC1=CC=C(C=C1)N2C(=O)C(=C3N(C(=N)C(=C(N)O)S3)C4=CC=CC=C4)SC2=S","GSJLJGXKURXMFY-GENXKXRTSA-N","135499327",NA,"PDBC45917","652033","Present"
-"NSC652034","","","","","","","","","","","","","","","","","","","","NSC652034","","CCOC(=C1C(=N)N(C(=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C)S1)C4=CC=CC=C4)O","VZRGMJRWDACLBW-JXRFPEDISA-N","135499328",NA,"PDBC45918","652034","Present"
-"NSC652035","","","","","","","","","","","","","","","","","","","","NSC652035","","CC1=CC=C(C=C1)N2C(=O)C(=C3N(C(=N)C(=C(N)O)S3)CC=C)SC2=S","MVXYHERBYQGCBS-NLWYJYPRSA-N","135499329",NA,"PDBC45919","652035","Present"
-"NSC652038","","","","","","","","","","","","","","","","","","","","NSC652038","","C1=CC=C(C=C1)N2C(=N)C(=C(N)O)SC2=C(C#N)C3=NC4=CC=CC=C4N3","BHHSFZJMHLEAQH-GKBIYHSDSA-N","135430602",NA,"PDBC45920","652038","Present"
-"NSC652039","","","","","","","","","","","","","","","","","","","","NSC652039","","CCOC(=C1C(=N)N(C(=C(C#N)C2=NC3=CC=CC=C3N2)S1)C4=CC=CC=C4)O","BPPVBRIKLQAZHT-YYATUQFHSA-N","135497317",NA,"PDBC45921","652039","Present"
-"NSC652040","","","","","","","","","","","","","","","","","","","","NSC652040","","C1C(=O)N(C(=C(C#N)C2=NC3=CC=CC=C3N2)S1)C4=CC=CC=C4","MVAFUUKNQCWZLZ-QGOAFFKASA-N","5467400",NA,"PDBC45922","652040","Present"
-"NSC652041","","","","","","","","","","","","","","","","","","","","NSC652041","","C1=CC=C(C=C1)N=NC2C(=O)N(C(=C(C#N)C3=NC4=CC=CC=C4N3)S2)C5=CC=CC=C5","IXZLDDJQVVKYJU-HMCNCKIHSA-N","5467401",NA,"PDBC45923","652041","Present"
-"NSC652042","","","","","","","","","","","","","","","","","","","","NSC652042","","CC1=CC=C(C=C1)N=NC2C(=O)N(C(=C(C#N)C3=NC4=CC=CC=C4N3)S2)C5=CC=CC=C5","NJOLMMXUKOZVGE-CIKSRDOSSA-N","5467402",NA,"PDBC45924","652042","Present"
-"NSC652043","","","","","","","","","","","","","","","","","","","","NSC652043","","C1=CC=C(C=C1)N2C(=O)C(SC2=C(C#N)C3=NC4=CC=CC=C4N3)N=NC5=CC=C(C=C5)Cl","YJVNPNMWADWFFI-GVYKFJLISA-N","5467403",NA,"PDBC45925","652043","Present"
-"NSC652044","","","","","","","","","","","","","","","","","","","","NSC652044","","C1=CC=C(C=C1)N2C3=C(C(=O)NC=N3)SC2=C(C#N)C4=NC5=CC=CC=C5N4","BFWKWJQXYDTOLH-MOSHPQCFSA-N","135499332",NA,"PDBC45926","652044","Present"
-"NSC652092","","","","","","","","","","","","","","","","","","","","NSC652092","","CC(CCCC(C)C1C(C(C2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C)O)O)CO","CLNZRUHMYVMUAU-PAXAJSPRSA-N","374387",NA,"PDBC45927","652092","Present"
-"NSC652093","","","","","","","","","","","","","","","","","","","","NSC652093","","CC(C)C(CCC(C)C1C(C(C2C1(CCC3C2(CC(C4(C3(CCC(C4)O)C)O)O)O)C)O)O)CCOS(=O)(=O)O.[Na+]","BWGOGOQOVXRNGK-OHGDEJIRSA-N","54608080",NA,"PDBC45928","652093","Present"
-"NSC652143","","","","","","","","","","","","","","","","","","","","NSC652143","","CC(C)OP(=O)(C(=NN)NNC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C","CSDKZEIMPMZSBZ-UHFFFAOYSA-N","5465534",NA,"PDBC45929","652143","Present"
-"NSC652159","","","","","","","","","","","","","","","","","","","","NSC652159","","COC1=C(C=C2C3C(CN3CCC2=C1)COC(=O)NC4=CC=CC=C4)OC","KXDJOUNIDKLAMT-YQYDADCPSA-N","374448",NA,"PDBC45930","652159","Present"
-"NSC652170","","","","","","","","","","","","","","","","","","","","NSC652170","","COC1=CC=C(C=C1)CN2CCCC=CCC(C2=O)(Cl)Cl","ADBRZPZCJJOCNX-DUXPYHPUSA-N","5467412",NA,"PDBC45931","652170","Present"
-"NSC652181","","","","","","","","","","","","","","","","","","","","NSC652181","","CC1=NN(C(=O)C1=CC2=CC=CO2)C(=O)C3=CC=CC=C3O","IYHBAPMFSNXVAJ-UKTHLTGXSA-N","5467420",NA,"PDBC45932","652181","Present"
-"NSC652187","","","","","","","","","","","","","","","","","","","","NSC652187","","CC1=NN(C(=O)C1=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl","PHGBHGYNMWDPPU-MHWRWJLKSA-N","5467425",NA,"PDBC45933","652187","Present"
-"NSC652190","","","","","","","","","","","","","","","","","","","","NSC652190","","CC1=NN(C(=O)C1=CC2=CC=CO2)C(=O)C3=CC=C(C=C3)Cl","KCGQXFWBLOSCRZ-NTEUORMPSA-N","5467428",NA,"PDBC45934","652190","Present"
-"NSC652280","","","","","","","","","","","","","","","","","","","","NSC652280","","CC1(CC2=C(C(=NC)CC3N2CCC4=CC(=C(C=C34)OC)OC)C(=O)C1)C.Cl","KYGHKTCKIVRBEG-UHFFFAOYSA-N","374529",NA,"PDBC45935","652280","Present"
-"NSC652537","","","","","","","","","","","","","","","","","","","","NSC652537","","CCC1(C(=O)[N-]C(=O)[N-]C1=O)CC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+].[Au+]","OONBKPYFHWRWIX-UHFFFAOYSA-N","6331141",NA,"PDBC45936","652537","Present"
-"NSC652539","","","","","","","","","","","","","","","","","","","","NSC652539","","CC1=NN(C(=O)[CH-]1)C2=CC=CC=C2.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au].[Au+]","SXANDKBEKQKJQA-UHFFFAOYSA-P","6331142",NA,"PDBC45937","652539","Present"
-"NSC652550","","","","","","","","","","","","","","","","","","","","NSC652550","","CC(C1=CC=CC=C1)N2C3CC(C2C(=O)OC)C=C3","PWUWUKQPSOGOPL-WXPVAWKNSA-N","6712026",NA,"PDBC45938","652550","Present"
-"NSC652566","","","","","","","","","","","","","","","","","","","","NSC652566","","CC(C)N1CCC2(CC1)C3=CC=CN3C4=C(NN2)N=CC=C4.Cl","DDMPGMZZUZBVTB-UHFFFAOYSA-N","374597",NA,"PDBC45939","652566","Present"
-"NSC652567","","","","","","","","","","","","","","","","","","","","NSC652567","","C1CSCCC12C3=CC=CN3C4=C(NN2)N=CC=C4.Br","LHERYRVRKAUSHU-UHFFFAOYSA-N","374599",NA,"PDBC45940","652567","Present"
-"NSC652568","","","","","","","","","","","","","","","","","","","","NSC652568","","C1CCC2(CC1)C3=CC=CN3C4=C(NN2)N=CC=C4.Br","BSWPDAJQRKEFFP-UHFFFAOYSA-N","374601",NA,"PDBC45941","652568","Present"
-"NSC652581","","","","","","","","","","","","","","","","","","","","NSC652581","","C1CN=C(N1)NN=CC2=C(C=CC=N2)OCCCCCC(=O)O.Br","GUHQMCFGKBEVBH-YLFUTEQJSA-N","9555909",NA,"PDBC45942","652581","Present"
-"NSC652582","","","","","","","","","","","","","","","","","","","","NSC652582","","C1CN=C(N1)NN=CCOC2=CN=CC=C2.Br","LWBAEDVCHPOGEA-JSSTZBRYSA-N","9555911",NA,"PDBC45943","652582","Present"
-"NSC652583","","","","","","","","","","","","","","","","","","","","NSC652583","","CC(=NNC1=NCCN1)C=CC2=C(C=CC=N2)OCCCCCC(=O)O.Br","NZUYFBGVIAQLOP-FKFQJIQHSA-N","9571786",NA,"PDBC45944","652583","Present"
-"NSC652584","","","","","","","","","","","","","","","","","","","","NSC652584","","CCCCCC(=NNC1=NCCN1)C=CC2=C(C=CC=N2)OCCCCCC(=O)O.Br","JPZRCDINAIEIKX-GOYNKABISA-N","9571787",NA,"PDBC45945","652584","Present"
-"NSC652586","","","","","","","","","","","","","","","","","","","","NSC652586","","C1=CSC(=C1)C2=NC3=C(N2)C(=NS(=O)(=O)N3)N","OAXGSGHFDQNZQI-UHFFFAOYSA-N","135408996",NA,"PDBC45946","652586","Present"
-"NSC652587","","","","","","","","","","","","","","","","","","","","NSC652587","","C1=CC(=CC=C1C2=NC3=C(N2)C(=NS(=O)(=O)N3)N)Cl","MJEOKSJNWRQKDK-UHFFFAOYSA-N","135408997",NA,"PDBC45947","652587","Present"
-"NSC652588","","","","","","","","","","","","","","","","","","","","NSC652588","","C1=CC(=CC=C1C2=NC3=C(N2)C(=NS(=O)(=O)N3)N)[N+](=O)[O-]","RTWANQMMWSAULE-UHFFFAOYSA-N","135408998",NA,"PDBC45948","652588","Present"
-"NSC652593","","","","","","","","","","","","","","","","","","","","NSC652593","","C1CCC=C2CCC(C2C3(CC1)OCCO3)SC4=CC=CC=C4","IFZRGLLWHBHOTE-WNPVJCIISA-N","11970007",NA,"PDBC45949","652593","Present"
-"NSC652596","","","","","","","","","","","","","","","","","","","","NSC652596","","CC(C)(C)C1=CC(=C2C(=O)C3=CC=CC=C3C(=O)C2=O)C=C(C1=O)C(C)(C)C","QDWPQDNQZPSIDU-UHFFFAOYSA-N","72499",NA,"PDBC45950","652596","Present"
-"NSC652604","","","","","","","","","","","","","","","","","","","","NSC652604","","C1=CC(=CC=C1CC2=CC=C(C=C2)N=C(C=NO)NO)N=C(C=NO)NO","YJWAMMSLAHYIDQ-BJPQZVBLSA-N","135499345",NA,"PDBC45951","652604","Present"
-"NSC652605","","","","","","","","","","","","","","","","","","","","NSC652605","","C1=CC=C(C=C1)C(=NO)C(=NO)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=NO)C(=NO)C4=CC=CC=C4","UQUJZHCFKUKAEY-WVMMTVHUSA-N","135499346",NA,"PDBC45952","652605","Present"
-"NSC652607","","","","","","","","","","","","","","","","","","","","NSC652607","","CON=C(C1=CSC(=N1)N)C(=O)NC2=C[N+](=CS2)CC(=O)[O-]","GHMJEVHRLWYNFS-OQLLNIDSSA-N","5465554",NA,"PDBC45953","652607","Present"
-"NSC652732","","","","","","","","","","","","","","","","","","","","NSC652732","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC3=CC=CC=C3)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6=CC=CC=C6)O)O)C(C)C)O)O","KTLRJQOAHAQTEQ-UHFFFAOYSA-N","247363",NA,"PDBC45954","652732","Present"
-"NSC652884","","","","","","","","","","","","","","","","","","","","NSC652884","","CC1=CC=C(C2=C(C3=CC=CC=C3N=C12)NCCC[N+](C)(C)[O-])[N+](=O)[O-].Cl","GOTMWZXOKMBXFE-UHFFFAOYSA-N","374699",NA,"PDBC45955","652884","Present"
-"NSC652886","","","","","","","","","","","","","","","","","","","","NSC652886","","CN(C)CCCNC1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)[N+](=O)[O-].Cl","MEVZJLUKTABENS-UHFFFAOYSA-N","374702",NA,"PDBC45956","652886","Present"
-"NSC652888","","","","","","","","","","","","","","","","","","","","NSC652888","","CC1=C2C(=CC=C1)C(=C3C(=CC=C(C3=N2)C)[N+](=O)[O-])NCCCN(C)C.Cl","MJMCRKZYGYOTHI-UHFFFAOYSA-N","374705",NA,"PDBC45957","652888","Present"
-"NSC652896","","","","","","","","","","","","","","","","","","","","NSC652896","","CCC1C[N+]23CCC1CC2C4=C(CC3)C5=CC=CC=C5N4.CC1=CC=C(C=C1)S(=O)(=O)[O-]","HLXYMXITPCQJHQ-UHFFFAOYSA-M","24202422",NA,"PDBC45958","652896","Present"
-"NSC652901","","","","","","","","","","","","","","","","","","","","NSC652901","","CCOC(=O)C12CCC(=O)C=C1C(C(=O)CC2)C","OQOBRHHHMIBADZ-UCWRFOARSA-N","374714",NA,"PDBC45959","652901","Present"
-"NSC652902","","","","","","","","","","","","","","","","","","","","NSC652902","","CN1C2CCC1C(=CC3=C4C(=CC=C3)OCO4)C(=O)C2=CC5=C6C(=CC=C5)OCO6","VVLVAECBUVDNRV-APGQMXJTSA-N","5467478",NA,"PDBC45960","652902","Present"
-"NSC652930","","","","","","","","","","","","","","","","","","","","NSC652930","","C1=CC=C(C=C1)C(=NNC2=NSC3=CC=CC=C32)CCC(=O)O","XNMFRWLTXTZHEY-NBVRZTHBSA-N","5465556",NA,"PDBC45961","652930","Present"
-"NSC652931","","","","","","","","","","","","","","","","","","","","NSC652931","","C1=CC=C2C(=C1)C(=NS2)NN=C(CCC(=O)O)C3=CC=C(C=C3)Cl","KMUUIGMQADWYKE-XMHGGMMESA-N","5465557",NA,"PDBC45962","652931","Present"
-"NSC652936","","","","","","","","","","","","","","","","","","","","NSC652936","","C1CCOC(C1)OC2CC(OC2CO)N3C=NC4=C(N=CN=C43)N","HZNPDLXMJUAZHB-UHFFFAOYSA-N","374744",NA,"PDBC45963","652936","Present"
-"NSC652938","","","","","","","","","","","","","","","","","","","","NSC652938","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OC3CCCCO3","OXJNHJLFDYNDBW-UHFFFAOYSA-N","374746",NA,"PDBC45964","652938","Present"
-"NSC652939","","","","","","","","","","","","","","","","","","","","NSC652939","","CCOC(C)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)C","YIACVQYMUNRFIY-UHFFFAOYSA-N","374747",NA,"PDBC45965","652939","Present"
-"NSC652940","","","","","","","","","","","","","","","","","","","","NSC652940","","CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CC(OC3CO)N4C=NC5=C(N=CN=C54)N","VCSVHBXJLMRITK-UHFFFAOYSA-N","374748",NA,"PDBC45966","652940","Present"
-"NSC652997","","","","","","","","","","","","","","","","","","","","NSC652997","","C1=CC=C2C(=C1)C=CC=C2C(=C3C4=CC=CC=C4C(=O)O3)Br","KESOYHRLGZYZEA-ZCXUNETKSA-N","5467481",NA,"PDBC45967","652997","Present"
-"NSC653383","","","","","","","","","","","","","","","","","","","","NSC653383","","CCC=CCC=CCC(C(CCCCCC=C)O)O","PFODYVTXEFDXQP-DPTWWRMPSA-N","5467489",NA,"PDBC45968","653383","Present"
-"NSC653420","","","","","","","","","","","","","","","","","","","","NSC653420","","CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=C8N6CCS8)F","VMUMMBTZBYJYLP-UPPALDQPSA-N","374884",NA,"PDBC45969","653420","Present"
-"NSC653421","","","","","","","","","","","","","","","","","","","","NSC653421","","CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=C8N6C9=CC=CC=C9S8)F","GREXHPPYDDSVDS-XNJUCIMSSA-N","374885",NA,"PDBC45970","653421","Present"
-"NSC653453","","","","","","","","","","","","","","","","","","","","NSC653453","","CC(C)C(=NNC(=O)N)C=CC1=CC=C(C=C1)Br","DGUKFSCIZOPNRJ-ZXURELPXSA-N","5906828",NA,"PDBC45971","653453","Present"
-"NSC653454","","","","","","","","","","","","","","","","","","","","NSC653454","","CC(C)C(=NNC(=O)NN=C(C=CC1=CC=CC=C1)C(C)C)C=CC2=CC=CC=C2","JXISIGLCWYMVKD-LNTNDECRSA-N","6477378",NA,"PDBC45972","653454","Present"
-"NSC653479","","","","","","","","","","","","","","","","","","","","NSC653479","","COC1CC(OC1CO)N2C=NC3=C(N=CN=C32)N","FFTJWXISNILIOL-UHFFFAOYSA-N","374904",NA,"PDBC45973","653479","Present"
-"NSC653616","","","","","","","","","","","","","","","","","","","","NSC653616","","","","",NA,"PDBC45974","653616","Present"
-"NSC653618","","","","","","","","","","","","","","","","","","","","NSC653618","","","","",NA,"PDBC45975","653618","Present"
-"NSC653620","","","","","","","","","","","","","","","","","","","","NSC653620","","CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)N(C)C(CC(=O)NC(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C(=O)N(C)C(C)C(=O)O)NC(=O)OC(C)(C)C","BRJUVVRSMHREFC-NFWYQQCQSA-N","6712039",NA,"PDBC45976","653620","Present"
-"NSC653621","","","","","","","","","","","","","","","","","","","","NSC653621","","CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)N(C)C(CC(=O)N)C(=O)N(C)C(C)C(=O)OC)NC(=O)OC(C)(C)C","NJNRYSQRFWLLIL-DXDWKNALSA-N","6712040",NA,"PDBC45977","653621","Present"
-"NSC653622","","","","","","","","","","","","","","","","","","","","NSC653622","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N(C)C(CC(=O)N)C(=O)N(C)C(C)C(=O)OC)NC(=O)OC(C)(C)C","GZAFXDLXRFRASN-BVCSWVHPSA-N","6712041",NA,"PDBC45978","653622","Present"
-"NSC653623","","","","","","","","","","","","","","","","","","","","NSC653623","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(CC(=O)N)C(=O)N(C)C(C)C(=O)OC)NC(=O)OC(C)(C)C","FKLOGTRCMYNILU-NQRLMHEGSA-N","6712042",NA,"PDBC45979","653623","Present"
-"NSC653625","","","","","","","","","","","","","","","","","","","","NSC653625","","CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C","YPGFSHLFWFQPBF-GJOOVXBSSA-N","6712044",NA,"PDBC45980","653625","Present"
-"NSC653811","","","","","","","","","","","","","","","","","","","","NSC653811","","C1=CC=C(C=C1)C(OCCN2C=NC3=C(N=C(N=C32)N)N)P(=O)(O)O.[Na+]","LKPWTUANPPRKRZ-UHFFFAOYSA-N","54602009",NA,"PDBC45981","653811","Present"
-"NSC653866","","","","","","","","","","","","","","","","","","","","NSC653866","","C1=CC=C(C=C1)C2=CC(=[O+]C3=C2C4=CC=CC=C4C3=CC=CC5=C6C(=C(C=C(O6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C95)C1=CC=CC=C1.[O-]Cl(=O)(=O)=O","DMEKJRHCKPHALM-UHFFFAOYSA-M","24202423",NA,"PDBC45982","653866","Present"
-"NSC653921","","","","","","","","","","","","","","","","","","","","NSC653921","","COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC=CC=C3)S2)NC(=O)CC4=CC=CC=C4","ORVYVHFVRCCFLN-JWGURIENSA-N","5467493",NA,"PDBC45983","653921","Present"
-"NSC653942","","","","","","","","","","","","","","","","","","","","NSC653942","","CC(=C)C12CC3CC(C1(C)O)C(=NO)C(C2)C3=NO","DUQBBGYIGPVWES-HSUCWVSCSA-N","11970013",NA,"PDBC45984","653942","Present"
-"NSC653949","","","","","","","","","","","","","","","","","","","","NSC653949","","","","",NA,"PDBC45985","653949","Present"
-"NSC654101","","","","","","","","","","","","","","","","","","","","NSC654101","","CCOC1C2C3C(CCCC3(C4=C(C(=C(C=C14)C(C)C)O)O)C(=O)O2)(C)C","HEUIVINVBVPWCU-MUJSTJFPSA-N","375088",NA,"PDBC45986","654101","Present"
-"NSC654205","","","","","","","","","","","","","","","","","","","","NSC654205","","CC1(OC2C(N(C(=O)C2O1)C(=O)C3=CC=C(C=C3)OC)COC)C","XGGBKJQXPPFKJW-MGPQQGTHSA-N","6712054",NA,"PDBC45987","654205","Present"
-"NSC654296","","","","","","","","","","","","","","","","","","","","NSC654296","","COC1=CC=C(C=C1)CC(C(=O)N2CC(CC(C2)N3C=CC(=O)NC3=O)CO)N","ZOSWGDZTYCGMNK-VYDXJSESSA-N","6712056",NA,"PDBC45988","654296","Present"
-"NSC654297","","","","","","","","","","","","","","","","","","","","NSC654297","","COC1=CC=C(C=C1)CC(C(=O)N2CC(CC(C2)N3C=CC(=O)NC3=O)CO)N","ZOSWGDZTYCGMNK-UXLLHSPISA-N","6712057",NA,"PDBC45989","654297","Present"
-"NSC654298","","","","","","","","","","","","","","","","","","","","NSC654298","","CN(C)C1=NC=NC2=C1N=CN2C3CC(CN(C3)C(=O)C(CC4=CC=C(C=C4)OC)N)CO","PYQCJOXAAHXMRG-AOIWGVFYSA-N","6712058",NA,"PDBC45990","654298","Present"
-"NSC654299","","","","","","","","","","","","","","","","","","","","NSC654299","","CN(C)C1=NC=NC2=C1N=CN2C3CC(CN(C3)C(=O)C(CC4=CC=C(C=C4)OC)N)CO","PYQCJOXAAHXMRG-SCTDSRPQSA-N","6712059",NA,"PDBC45991","654299","Present"
-"NSC654375","","","","","","","","","","","","","","","","","","","","NSC654375","","","","",NA,"PDBC45992","654375","Present"
-"NSC654377","","","","","","","","","","","","","","","","","","","","NSC654377","","","","",NA,"PDBC45993","654377","Present"
-"NSC654378","","","","","","","","","","","","","","","","","","","","NSC654378","","","","",NA,"PDBC45994","654378","Present"
-"NSC654639","","","","","","","","","","","","","","","","","","","","NSC654639","","CC1(OC2C(OC(C2O1)N=C(NC#N)OC3=CC=CC=C3)CO)C","WXJWRTWRVUDVQQ-UHFFFAOYSA-N","6477379",NA,"PDBC45995","654639","Present"
-"NSC654734","","","","","","","","","","","","","","","","","","","","NSC654734","","CC(C)NCCNC(=O)C1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl.Cl","ICSVNWDADVFTBP-UHFFFAOYSA-N","375260",NA,"PDBC45996","654734","Present"
-"NSC654735","","","","","","","","","","","","","","","","","","","","NSC654735","","CN(C)CCNC(=O)C1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl.Cl","JRUGPRJSJSEALG-UHFFFAOYSA-N","375262",NA,"PDBC45997","654735","Present"
-"NSC654737","","","","","","","","","","","","","","","","","","","","NSC654737","","CCN(CC)CCCNC(=O)C1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl.Cl","IZUKZNFFODGEJL-UHFFFAOYSA-N","375265",NA,"PDBC45998","654737","Present"
-"NSC654893","","","","","","","","","","","","","","","","","","","","NSC654893","","CC12CCC3C(C1CCC2OC(=O)C45C(O4)CC(=C)C5=O)CCC6=CC(=O)CCC36C","KEHKYFDJRGIKNE-HHSZLIGZSA-N","6712072",NA,"PDBC45999","654893","Present"
-"NSC654895","","","","","","","","","","","","","","","","","","","","NSC654895","","CC1=NC(=CC2=CC=C(C=C2)N)C(=O)N1NC3=NN=C(C4=CC=CC=C43)NN5C(=NC(=CC6=CC=C(C=C6)N)C5=O)C","MXPZVIGWSXXLJL-YXHOTNNGSA-N","6412823",NA,"PDBC46000","654895","Present"
-"NSC654896","","","","","","","","","","","","","","","","","","","","NSC654896","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)NC4=NN=C(C5=CC=CC=C54)NN6C(=NC(=CC7=CC=C(C=C7)OC)C6=O)C8=CC=CC=C8","VMHVVCDZFMOAQS-SDURLSCFSA-N","6412768",NA,"PDBC46001","654896","Present"
-"NSC654897","","","","","","","","","","","","","","","","","","","","NSC654897","","CC1=NC(=CC2=C(C=C(C=C2OC)OC)OC)C(=O)N1NC3=NN=C(C4=CC=CC=C43)NN5C(=NC(=CC6=C(C=C(C=C6OC)OC)OC)C5=O)C","BVAHCKSTLIRVSP-HJTNQMAYSA-N","6416023",NA,"PDBC46002","654897","Present"
-"NSC654948","","","","","","","","","","","","","","","","","","","","NSC654948","","CC1=CC(=C(C(=C1)C)C2=NOC(C2C3(OC(=NO3)C4=C(C=C(C=C4C)C)C)C5=CC=CC=C5)OC)C","ZEGNMCBSSKCCIS-QOXPCENISA-N","6712075",NA,"PDBC46003","654948","Present"
-"NSC654950","","","","","","","","","","","","","","","","","","","","NSC654950","","COC(=O)C1C(C12C=CC3=CC=CC=C3C=C2)C(=O)OC","HNWLULKUEBQDRJ-LSLKUGRBSA-N","375336",NA,"PDBC46004","654950","Present"
-"NSC654951","","","","","","","","","","","","","","","","","","","","NSC654951","","CC1(OC2C(C(C3C(C2O1)OC(=N3)C(Cl)(Cl)Cl)I)N4C(=O)C5=CC=CC=C5C4=O)C","XNCOFAJKNDHSCI-LRFIKVMTSA-N","375337",NA,"PDBC46005","654951","Present"
-"NSC654952","","","","","","","","","","","","","","","","","","","","NSC654952","","CC(=O)OC1C(C(C(C(C1OC)OC)N2C(=O)C3=CC=CC=C3C2=O)I)NC(=O)C(Cl)(Cl)Cl","PZDADDTWGGIXHA-ZIXXKZBOSA-N","375338",NA,"PDBC46006","654952","Present"
-"NSC655063","","","","","","","","","","","","","","","","","","","","NSC655063","","C1CC2C(SC3=CC=CC=C3C(=O)N2C1)O","DGYJLILSSACKKO-JOYOIKCWSA-N","375391",NA,"PDBC46007","655063","Present"
-"NSC655078","","","","","","","","","","","","","","","","","","","","NSC655078","","CCOC(CC(C1COC(=S)S1)O[Si](C)(C)C(C)(C)C)OCC","OSQXNCWSEMYIRN-QWHCGFSZSA-N","375404",NA,"PDBC46008","655078","Present"
-"NSC655100","","","","","","","","","","","","","","","","","","","","NSC655100","","CC1(C(NC(S1)C2=CC=CC=C2C(=O)O)CC(=O)O)C","KNQNIFRMJRSVTK-ZYHUDNBSSA-N","375411",NA,"PDBC46009","655100","Present"
-"NSC655101","","","","","","","","","","","","","","","","","","","","NSC655101","","CCCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCN=C(N)N)N.C(=O)(C(F)(F)F)O","PWSKSGBEPGLTFA-UKOKCHKQSA-N","375412",NA,"PDBC46010","655101","Present"
-"NSC655102","","","","","","","","","","","","","","","","","","","","NSC655102","","CCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCN=C(N)N)N.C(=O)(C(F)(F)F)O","SSOBMZWYNDAKPM-UEMAAXKQSA-N","375414",NA,"PDBC46011","655102","Present"
-"NSC655103","","","","","","","","","","","","","","","","","","","","NSC655103","","CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=C8C=CC=CC8=CC7=C9N6CCS9)F","MUXHCLFGGTXKHV-JSPNTKRJSA-N","6712077",NA,"PDBC46012","655103","Present"
-"NSC655104","","","","","","","","","","","","","","","","","","","","NSC655104","","CC1=NC2=CC3=CC=CC=C3C=C2N1C4=NC(=NC(=N4)F)OC5=CC6=C(C=C5)C7CCC8(C(C7CC6)CCC8(C#C)O)C","WIRGWEFZSGNXMT-FFXZDGJDSA-N","6712078",NA,"PDBC46013","655104","Present"
-"NSC655144","","","","","","","","","","","","","","","","","","","","NSC655144","","CC1=CC=C(C=C1)C=NNC2C3=C(C=CC(=C3)Cl)NC4=NC(=O)NC(=C24)C","SUFCOEMULBSBMY-YVNNLAQVSA-N","6089926",NA,"PDBC46014","655144","Present"
-"NSC655267","","","","","","","","","","","","","","","","","","","","NSC655267","","CC(=O)OC12CCCCC1C3(C2CCCCC3O)O","CUOHVBLGAPDKIE-PJQWEWFWSA-N","375485",NA,"PDBC46015","655267","Present"
-"NSC655268","","","","","","","","","","","","","","","","","","","","NSC655268","","CC(=O)OC12CCCCC1C3(C2CCCCC3O)O","CUOHVBLGAPDKIE-IHXHZNKUSA-N","375486",NA,"PDBC46016","655268","Present"
-"NSC655269","","","","","","","","","","","","","","","","","","","","NSC655269","","CC(=O)OC12CCCCCC1C3(C2CCCCC3O)O","KLSOYLIJHFMGMW-HTASQGPOSA-N","375487",NA,"PDBC46017","655269","Present"
-"NSC655270","","","","","","","","","","","","","","","","","","","","NSC655270","","CC(=O)OC12CCCCCC1C3(C2CCCCC3O)O","KLSOYLIJHFMGMW-IBHBGHMQSA-N","375488",NA,"PDBC46018","655270","Present"
-"NSC655273","","","","","","","","","","","","","","","","","","","","NSC655273","","CC(=O)OC12CCCCCCC1C3(C2CCCC3O)O","YDWDAOOPPQNRKY-HTASQGPOSA-N","375491",NA,"PDBC46019","655273","Present"
-"NSC655274","","","","","","","","","","","","","","","","","","","","NSC655274","","CC(=O)OC12CCCCCC1C3(C2CCCC3O)O","PBYPDYNTWRSEBJ-VNECMYLUSA-N","375492",NA,"PDBC46020","655274","Present"
-"NSC655275","","","","","","","","","","","","","","","","","","","","NSC655275","","C1CCC=C2CCC(C2C3(CC1)OCCO3)SC4=CC=CC=C4","IFZRGLLWHBHOTE-DCRDRLAGSA-N","5467538",NA,"PDBC46021","655275","Present"
-"NSC655276","","","","","","","","","","","","","","","","","","","","NSC655276","","C1CCC=C2CCC(C2C(=O)CC1)SC3=CC=CC=C3","KWXGJKUBWQUIKN-VECLJIIPSA-N","5467539",NA,"PDBC46022","655276","Present"
-"NSC655278","","","","","","","","","","","","","","","","","","","","NSC655278","","CC(=O)OC12CCCC1C3(C2CCCC3O)O","GKYOQJWWFQBXEP-SZQBSXBZSA-N","375496",NA,"PDBC46023","655278","Present"
-"NSC655279","","","","","","","","","","","","","","","","","","","","NSC655279","","CC(=O)OC12CCCC1C3(C2CCCC3O)O","GKYOQJWWFQBXEP-RFMXUXEOSA-N","375497",NA,"PDBC46024","655279","Present"
-"NSC655284","","","","","","","","","","","","","","","","","","","","NSC655284","","C1CCC(C2(C(C1)C3=CC=CC=C32)O)N4CCOCC4","XNHVAOFTRMYYNB-OFLPRAFFSA-N","375502",NA,"PDBC46025","655284","Present"
-"NSC655287","","","","","","","","","","","","","","","","","","","","NSC655287","","C1CC2C3=CC=CC=C3C2(C(C1)N4CCOCC4)O","DRXFQSHRXGDRHM-UYSNPLJNSA-N","375505",NA,"PDBC46026","655287","Present"
-"NSC655291","","","","","","","","","","","","","","","","","","","","NSC655291","","C1CCC2(C3=CC=CC=C3C2(CC1)O)N4CCOCC4.Cl","FDVPZKWCQANJIM-UHFFFAOYSA-N","375509",NA,"PDBC46027","655291","Present"
-"NSC655294","","","","","","","","","","","","","","","","","","","","NSC655294","","COC1=CC=CC2=C1C3C(CCCCC2)NC(=O)O3","OLCJMJFXTZJASG-IAXJKZSUSA-N","375513",NA,"PDBC46028","655294","Present"
-"NSC655295","","","","","","","","","","","","","","","","","","","","NSC655295","","COC1=CC(=CC(=C1)CCCC(COC2=CC=CC3=C2C4(C3CCCCC4)O)O)OC.C(=O)(C(=O)O)O","NTLYDIQHAKFDBT-UHFFFAOYSA-N","375514",NA,"PDBC46029","655295","Present"
-"NSC655296","","","","","","","","","","","","","","","","","","","","NSC655296","","CC(C)NC1CCCCC2C1(C3=C2C=C(C=C3)F)O.Cl","BUDHKGBOEFDDIF-RLDFLAGFSA-N","375516",NA,"PDBC46030","655296","Present"
-"NSC655313","","","","","","","","","","","","","","","","","","","","NSC655313","","COC1=CC=CC2=C1C3(C2CCCC3O)O","ZTZRASRNJZCADA-QEIKUCIBSA-N","375534",NA,"PDBC46031","655313","Present"
-"NSC655331","","","","","","","","","","","","","","","","","","","","NSC655331","","CC1C=CC=CC=CC(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)C(=CC(C(C(C=CC(CC=C(C(=O)CC1O)C)O)C)O)C)C)O)C)N","KHHDHRZMICFOLO-LABPKOIQSA-N","54608946",NA,"PDBC46032","655331","Present"
-"NSC655338","","","","","","","","","","","","","","","","","","","","NSC655338","","C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC=CC=C3)SC2=NC4=CC=CC=C4","RYNTVPPOIBSTDL-CHLWQFSPSA-N","6375308",NA,"PDBC46033","655338","Present"
-"NSC655339","","","","","","","","","","","","","","","","","","","","NSC655339","","C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC=CC=C3O)SC2=NC4=CC=CC=C4","MAWBTFDBXRIMEC-CHLWQFSPSA-N","6062284",NA,"PDBC46034","655339","Present"
-"NSC655340","","","","","","","","","","","","","","","","","","","","NSC655340","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)NC(=O)CC4=CC=CC=C4","SVJPULAUVKWIBG-SBECIKHMSA-N","20835362",NA,"PDBC46035","655340","Present"
-"NSC655341","","","","","","","","","","","","","","","","","","","","NSC655341","","C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC=C(C=C3)O)SC2=NC4=CC=CC=C4","YVTMKYJETDMEKV-QGJBXVFPSA-N","6370958",NA,"PDBC46036","655341","Present"
-"NSC655342","","","","","","","","","","","","","","","","","","","","NSC655342","","C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])SC2=NC4=CC=CC=C4","KBMDSGSRUDPRRF-QGJBXVFPSA-N","6376042",NA,"PDBC46037","655342","Present"
-"NSC655343","","","","","","","","","","","","","","","","","","","","NSC655343","","C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])SC2=NC4=CC=CC=C4","USTUFFQDAOTXOH-QGJBXVFPSA-N","5923505",NA,"PDBC46038","655343","Present"
-"NSC655344","","","","","","","","","","","","","","","","","","","","NSC655344","","C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC(=CC=C3)O)SC2=NC4=CC=CC=C4","RAVWGTMMHGUMOM-QGJBXVFPSA-N","6106185",NA,"PDBC46039","655344","Present"
-"NSC655345","","","","","","","","","","","","","","","","","","","","NSC655345","","COC1=CC(=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)NC(=O)CC4=CC=CC=C4)OC","LZQPOEGCTOUTLR-GQUXDKRHSA-N","20835340",NA,"PDBC46040","655345","Present"
-"NSC655362","","","","","","","","","","","","","","","","","","","","NSC655362","","CC1=C2N(C3C(O2)C(C(O3)CO)N=[N+]=[N-])C(=O)NC1=O","YJPCPIDLXRUUCM-UHFFFAOYSA-N","495450",NA,"PDBC46041","655362","Present"
-"NSC655364","","","","","","","","","","","","","","","","","","","","NSC655364","","CC12C(CC(=CC1=C(C(=N)N2C3=CC(=C(C=C3)Cl)Cl)C#N)O)SCCS(=O)(=O)O.[Na+]","KLRLBABIONUNEE-UHFFFAOYSA-N","135499363",NA,"PDBC46042","655364","Present"
-"NSC655365","","","","","","","","","","","","","","","","","","","","NSC655365","","CN(C(CC=C)P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","JPYACDVCLRDPPA-CYZZXXEPSA-N","375577",NA,"PDBC46043","655365","Present"
-"NSC655366","","","","","","","","","","","","","","","","","","","","NSC655366","","CC(C)C=C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CCSC)NC=O","BBZRVOZGTAYAPS-ZSCLYBAYSA-N","5467542",NA,"PDBC46044","655366","Present"
-"NSC655393","","","","","","","","","","","","","","","","","","","","NSC655393","","C1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C3=NC4=CC=CC=C4N3)S2)C5=CC=CC=C5","YJHAVIVOWQSUDA-MCIRJRDLSA-N","5467543",NA,"PDBC46045","655393","Present"
-"NSC655394","","","","","","","","","","","","","","","","","","","","NSC655394","","COC1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C3=NC4=CC=CC=C4N3)S2)C5=CC=CC=C5","VGPJRTKXRYICFW-UTTVZAIASA-N","5467544",NA,"PDBC46046","655394","Present"
-"NSC655395","","","","","","","","","","","","","","","","","","","","NSC655395","","C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)Cl)SC2=C(C#N)C4=NC5=CC=CC=C5N4","WOXMRFOWNINQDV-WAFZPUJNSA-N","5467545",NA,"PDBC46047","655395","Present"
-"NSC655397","","","","","","","","","","","","","","","","","","","","NSC655397","","CC1=CC=C(C=C1)N2C(=O)CSC2=C(C#N)C3=NC4=CC=CC=C4N3","WVCBLKSMRVLLPZ-XMHGGMMESA-N","5467546",NA,"PDBC46048","655397","Present"
-"NSC655403","","","","","","","","","","","","","","","","","","","","NSC655403","","COC1=C(C=C(C=C1)C=C(C2=CC(=C(C=C2)OC)OC)Cl)OC","KLMLYOQAMSHIKT-ZROIWOOFSA-N","5467548",NA,"PDBC46049","655403","Present"
-"NSC655413","","","","","","","","","","","","","","","","","","","","NSC655413","","COC1=CC=C(C=C1)C(=CN2C=CN=C2)C(=O)C3=CC(=C(C=C3)OC)OC","IDDQEDVSBUUGDY-AQTBWJFISA-N","6156841",NA,"PDBC46050","655413","Present"
-"NSC655425","","","","","","","","","","","","","","","","","","","","NSC655425","","C1=C(N=C(S1)CCN)C2=NC(=C(S2)Cl)C(=O)NCCCNCCCCN.Cl","YJOWNSPPQCMJOP-UHFFFAOYSA-N","375601",NA,"PDBC46051","655425","Present"
-"NSC655426","","","","","","","","","","","","","","","","","","","","NSC655426","","C(CCNCCCNC(=O)C1=C(SC(=N1)C2=C(SC(=N2)CCN)Cl)Cl)CN.Cl","CWKOVBFCPNCJMP-UHFFFAOYSA-N","375603",NA,"PDBC46052","655426","Present"
-"NSC655439","","","","","","","","","","","","","","","","","","","","NSC655439","","CCCCCCCCCC1CC(C(N1C(=O)OC(C)(C)C)CC2=CC=CC=C2)O","KULFLGJMCYQKLC-VJBWXMMDSA-N","375617",NA,"PDBC46053","655439","Present"
-"NSC655442","","","","","","","","","","","","","","","","","","","","NSC655442","","C1C=CC2C1CNC3=C2C=CC4=C3C=CN=C4","UGOQHQVZCSABRN-JQWIXIFHSA-N","375619",NA,"PDBC46054","655442","Present"
-"NSC655447","","","","","","","","","","","","","","","","","","","","NSC655447","","CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC","FNJAUMNMJVSACJ-INIZCTEOSA-N","375625",NA,"PDBC46055","655447","Present"
-"NSC655450","","","","","","","","","","","","","","","","","","","","NSC655450","","CC(C)(C)C(C(=O)O)NC(=O)OCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC","HSZYIVOKRMBMJY-CYBMUJFWSA-N","375628",NA,"PDBC46056","655450","Present"
-"NSC655453","","","","","","","","","","","","","","","","","","","","NSC655453","","CC(C)(C)OC(=O)NNC(CC1=CC=CC=C1)C(=O)OC","DFAQAHOCXZREQN-GFCCVEGCSA-N","375631",NA,"PDBC46057","655453","Present"
-"NSC655460","","","","","","","","","","","","","","","","","","","","NSC655460","","CC1C(=NO)C2C(C(O1)OC)OC(O2)(C)C","PJOWXLWKPHORPK-WDZFZDKYSA-N","5465581",NA,"PDBC46058","655460","Present"
-"NSC655463","","","","","","","","","","","","","","","","","","","","NSC655463","","CC1(OCC(O1)C(=N)OCC2=CC=CC=C2)C","PNTSZXLIQXVRDY-LLVKDONJSA-N","375641",NA,"PDBC46059","655463","Present"
-"NSC655464","","","","","","","","","","","","","","","","","","","","NSC655464","","CC(C(C(=O)O)NC(=O)OC)O[Si](C)(C)C(C)(C)C","KSJUPLOJLHKQFD-GKAPJAKFSA-N","375642",NA,"PDBC46060","655464","Present"
-"NSC655465","","","","","","","","","","","","","","","","","","","","NSC655465","","CC(C(C(=O)O)NC(=O)OCC(Cl)(Cl)Cl)O[Si](C)(C)C(C)(C)C","HNSXUVGIMHTKHC-GKAPJAKFSA-N","375643",NA,"PDBC46061","655465","Present"
-"NSC655466","","","","","","","","","","","","","","","","","","","","NSC655466","","CC(C(C(=O)O)NC(=O)OCC(Cl)(Cl)Cl)OC(C)(C)C","DSNGQFFZCBJQKE-MLWJPKLSSA-N","375644",NA,"PDBC46062","655466","Present"
-"NSC655467","","","","","","","","","","","","","","","","","","","","NSC655467","","CC(C(C(=O)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)NC(=O)OC(C)(C)C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C","JJNHXXXGXRHCFL-TVQXPHSOSA-N","375645",NA,"PDBC46063","655467","Present"
-"NSC655468","","","","","","","","","","","","","","","","","","","","NSC655468","","CC(C(C(=O)O)NC(=O)OC(C)(C)C)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C.C1CCC(CC1)NC2CCCCC2","KNBMLDQTPPKPAZ-ATZNIPBWSA-N","375646",NA,"PDBC46064","655468","Present"
-"NSC655469","","","","","","","","","","","","","","","","","","","","NSC655469","","CC(C(C(=O)O)NC(=O)OC(C)(C)C)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2","IYEPGQHEZOQREY-MTFPJWTKSA-N","375648",NA,"PDBC46065","655469","Present"
-"NSC655470","","","","","","","","","","","","","","","","","","","","NSC655470","","CC(C(C(=O)NC(C1COC(O1)(C)C)OCC2=CC=CC=C2)NC(=O)OC)O[Si](C)(C)C(C)(C)C","YGHQKTHXGQLSFA-OTEZBWDNSA-N","375650",NA,"PDBC46066","655470","Present"
-"NSC655473","","","","","","","","","","","","","","","","","","","","NSC655473","","CC(C(C(=O)NCCC1=NC(=CS1)C(=O)NC(CSC)C(=O)NCCCSC)NSC2=CC=CC=C2[N+](=O)[O-])O","ITBIVAJGZQLULJ-XPOCZOTCSA-N","375653",NA,"PDBC46067","655473","Present"
-"NSC655474","","","","","","","","","","","","","","","","","","","","NSC655474","","CC(C(C(=O)NCCC(=O)NC(CSC)C1=NC(=CS1)C(=O)NCCCSC)NC(=O)OCC(Br)(Br)Br)O","JIWONZPOVYAQKW-TUJLOAKASA-N","375654",NA,"PDBC46068","655474","Present"
-"NSC655479","","","","","","","","","","","","","","","","","","","","NSC655479","","CSCCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)CCN.Cl","DTGRMAUXFAOMOW-UHFFFAOYSA-N","54608552",NA,"PDBC46069","655479","Present"
-"NSC655748","","","","","","","","","","","","","","","","","","","","NSC655748","","","","",NA,"PDBC46070","655748","Present"
-"NSC655749","","","","","","","","","","","","","","","","","","","","NSC655749","","","","",NA,"PDBC46071","655749","Present"
-"NSC655750","","","","","","","","","","","","","","","","","","","","NSC655750","","","","",NA,"PDBC46072","655750","Present"
-"NSC655751","","","","","","","","","","","","","","","","","","","","NSC655751","","","","",NA,"PDBC46073","655751","Present"
-"NSC655752","","","","","","","","","","","","","","","","","","","","NSC655752","","","","",NA,"PDBC46074","655752","Present"
-"NSC655753","","","","","","","","","","","","","","","","","","","","NSC655753","","","","",NA,"PDBC46075","655753","Present"
-"NSC655754","","","","","","","","","","","","","","","","","","","","NSC655754","","","","",NA,"PDBC46076","655754","Present"
-"NSC655755","","","","","","","","","","","","","","","","","","","","NSC655755","","","","",NA,"PDBC46077","655755","Present"
-"NSC655757","","","","","","","","","","","","","","","","","","","","NSC655757","","","","",NA,"PDBC46078","655757","Present"
-"NSC655758","","","","","","","","","","","","","","","","","","","","NSC655758","","","","",NA,"PDBC46079","655758","Present"
-"NSC655759","","","","","","","","","","","","","","","","","","","","NSC655759","","","","",NA,"PDBC46080","655759","Present"
-"NSC655894","","","","","","","","","","","","","","","","","","","","NSC655894","","CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4C)C(=O)N(C3=O)C6=CC=C(C=C6)OC","XHZLKRDFULDXAK-RYEUDINFSA-N","375747",NA,"PDBC46081","655894","Present"
-"NSC655907","","","","","","","","","","","","","","","","","","","","NSC655907","","","","",NA,"PDBC46082","655907","Present"
-"NSC655938","","","","","","","","","","","","","","","","","","","","NSC655938","","COC1=CCC=C(C1)CC2C3=CC(=C(C=C3CCN2)OC)OC","HULDQPCWZJKPAY-KRWDZBQOSA-N","375781",NA,"PDBC46083","655938","Present"
-"NSC655983","","","","","","","","","","","","","","","","","","","","NSC655983","","CC(C)(C)OC(=O)NCCC1=C2C(=CC=C1)C3=CC=CC(=C3O2)CCC(=O)O.[Na+]","CSUNXYIZJPLXLN-UHFFFAOYSA-N","54608188",NA,"PDBC46084","655983","Present"
-"NSC656074","","","","","","","","","","","","","","","","","","","","NSC656074","","CC1(OC(C(O1)COP2OCCO2)COP3OCCO3)C","GRZCTUNSZLHSDO-RGURZIINSA-N","375826",NA,"PDBC46085","656074","Present"
-"NSC656104","","","","","","","","","","","","","","","","","","","","NSC656104","","CC(=O)[O-].C1=CC(=C(C=C1Cl)C=NCCN=CC2=C(C=CC(=C2)Cl)[O-])[O-].[Mn+3]","ZGRRRTZCCSDLDM-UHFFFAOYSA-K","375850",NA,"PDBC46086","656104","Present"
-"NSC656105","","","","","","","","","","","","","","","","","","","","NSC656105","","CC(=O)[O-].C1=CC(=C(C=C1[N+](=O)[O-])C=NCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-].[Mn+3]","XHZHPUWNTLXASL-UHFFFAOYSA-K","375852",NA,"PDBC46087","656105","Present"
-"NSC656106","","","","","","","","","","","","","","","","","","","","NSC656106","","CC(=O)[O-].C1=CC=C(C(=C1)C=NCCNCCN=CC2=CC=CC=C2[O-])[O-].[Mn+3]","NLQHZKVUCVBQJG-UHFFFAOYSA-K","375853",NA,"PDBC46088","656106","Present"
-"NSC656159","","","","","","","","","","","","","","","","","","","","NSC656159","","C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)F","DWLFPUBOAWVQJC-UHFFFAOYSA-N","375861",NA,"PDBC46089","656159","Present"
-"NSC656252","","","","","","","","","","","","","","","","","","","","NSC656252","","C1=CC=C(C=C1)CC(CSSCC(CC2=CC=CC=C2)N)N.Cl","HCQNDWNOJPRYEJ-UHFFFAOYSA-N","375916",NA,"PDBC46090","656252","Present"
-"NSC656278","","","","","","","","","","","","","","","","","","","","NSC656278","","CCN1CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)Cl)(C=CC3=CC=C(C=C3)Cl)O.Cl","BSQQFXGSCGDFKK-RMAGTAFCSA-N","5467606",NA,"PDBC46091","656278","Present"
-"NSC656281","","","","","","","","","","","","","","","","","","","","NSC656281","","CCC(=NN=C(CC)C=CC1=CC=CC=C1)C=CC2=CC=CC=C2","IVCNYXRCPLLZKP-NIBORNSQSA-N","6477384",NA,"PDBC46092","656281","Present"
-"NSC656282","","","","","","","","","","","","","","","","","","","","NSC656282","","CC(=NN=C(C)C=CC1=CC=CC=C1)C=CC2=CC=CC=C2","XMYDWVYVIJCLIW-PPJSMFRSSA-N","6477385",NA,"PDBC46093","656282","Present"
-"NSC656283","","","","","","","","","","","","","","","","","","","","NSC656283","","CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)Br)SCCS(=O)(=O)O.[Na+].Cl","OYIYQEDQBGFDBB-UHFFFAOYSA-N","54608189",NA,"PDBC46094","656283","Present"
-"NSC656344","","","","","","","","","","","","","","","","","","","","NSC656344","","COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC=CC4=CC=CC=C4","FQNBOHULQMVQLY-VMPITWQZSA-N","5872408",NA,"PDBC46095","656344","Present"
-"NSC656346","","","","","","","","","","","","","","","","","","","","NSC656346","","C1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(C(O4)CO)O)O)O","XYYXEBVIDYBXFI-UHFFFAOYSA-N","375980",NA,"PDBC46096","656346","Present"
-"NSC656355","","","","","","","","","","","","","","","","","","","","NSC656355","","CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CCN4CCOCC4.Cl","JQUHWBKOINGHPM-UHFFFAOYSA-N","375989",NA,"PDBC46097","656355","Present"
-"NSC656390","","","","","","","","","","","","","","","","","","","","NSC656390","","CC1C2CC(C1(C)C)CC2=NO","HHZVCCHVDIVHOG-LUAWRHEFSA-N","5465597",NA,"PDBC46098","656390","Present"
-"NSC656398","","","","","","","","","","","","","","","","","","","","NSC656398","","CC1C2CC(C1(C)C)C(C2=O)S(=O)(=O)O.N","XFBDBOGGQOOOCG-UHFFFAOYSA-N","376018",NA,"PDBC46099","656398","Present"
-"NSC656401","","","","","","","","","","","","","","","","","","","","NSC656401","","CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)O)(CCCC4(C)C(=O)O)C.[Na+]","NRBVELKNCWVTQL-UHFFFAOYSA-N","54601654",NA,"PDBC46100","656401","Present"
-"NSC656402","","","","","","","","","","","","","","","","","","","","NSC656402","","CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=C(C=C6)CC7=CC=C(C=C7)N8C(=O)C9C1CC2C3(CCCC(C3CCC2(C9C8=O)C=C1C(C)C)(C)C(=O)O)C)(CCCC4(C)C(=O)O)C.[Na+]","GWZHTBAAYSMLCH-UHFFFAOYSA-N","54604805",NA,"PDBC46101","656402","Present"
-"NSC656403","","","","","","","","","","","","","","","","","","","","NSC656403","","CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=C(C=C6)N7C(=O)C8C9CC1C2(CCCC(C2CCC1(C8C7=O)C=C9C(C)C)(C)C(=O)O)C)(CCCC4(C)C(=O)O)C.[Na+]","ONNADTRGMLJVJT-UHFFFAOYSA-N","54608192",NA,"PDBC46102","656403","Present"
-"NSC656404","","","","","","","","","","","","","","","","","","","","NSC656404","","CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=CC=C6N7C(=O)C8C9CC1C2(CCCC(C2CCC1(C8C7=O)C=C9C(C)C)(C)C(=O)O)C)(CCCC4(C)C(=O)O)C.[Na+]","LYCQCIRTTVEYEL-UHFFFAOYSA-N","54600932",NA,"PDBC46103","656404","Present"
-"NSC656405","","","","","","","","","","","","","","","","","","","","NSC656405","","CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC(=CC=C6)N7C(=O)C8C9CC1C2(CCCC(C2CCC1(C8C7=O)C=C9C(C)C)(C)C(=O)O)C)(CCCC4(C)C(=O)O)C.[Na+]","IHCGVUCICZFTBY-UHFFFAOYSA-N","54608193",NA,"PDBC46104","656405","Present"
-"NSC656406","","","","","","","","","","","","","","","","","","","","NSC656406","","CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)CCCCCCN6C(=O)C7C8CC9C1(CCCC(C1CCC9(C7C6=O)C=C8C(C)C)(C)C(=O)O)C)(CCCC4(C)C(=O)O)C.[Na+]","CKMCRMZYSNDBHC-UHFFFAOYSA-N","54608731",NA,"PDBC46105","656406","Present"
-"NSC656575","","","","","","","","","","","","","","","","","","","","NSC656575","","CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=CC=C6)(CCCC4(C)C(=O)O)C.[Na+]","FNJXLEYPTSOFQL-UHFFFAOYSA-N","54608194",NA,"PDBC46106","656575","Present"
-"NSC656595","","","","","","","","","","","","","","","","","","","","NSC656595","","CC1(OCC(O1)C2CC23SCCCS3)C","GNRXWUHNGSCKQW-VEDVMXKPSA-N","376111",NA,"PDBC46107","656595","Present"
-"NSC656597","","","","","","","","","","","","","","","","","","","","NSC656597","","C1CCCCC2CC(CCCC1)CC3(C2)CC(=O)N3","PXJIONNUHXKHRR-FKEKPDDDSA-N","376113",NA,"PDBC46108","656597","Present"
-"NSC656705","","","","","","","","","","","","","","","","","","","","NSC656705","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)NCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O","IDOUQYDGAZINCU-UHFFFAOYSA-N","376171",NA,"PDBC46109","656705","Present"
-"NSC656707","","","","","","","","","","","","","","","","","","","","NSC656707","","COC1=CC=C(C=C1)C2CC(=O)NCCCCN2","ZTAZAPGMMRFRKU-CYBMUJFWSA-N","376173",NA,"PDBC46110","656707","Present"
-"NSC656708","","","","","","","","","","","","","","","","","","","","NSC656708","","COC1=CC=C(C=C1)C2CC(=O)N3CCCC3N2","PJVUQNZVWPWOBP-PZORYLMUSA-N","376174",NA,"PDBC46111","656708","Present"
-"NSC656709","","","","","","","","","","","","","","","","","","","","NSC656709","","COC1=CC=C(C=C1)C2CC(=O)NCCCCNCCCN2","LARKNSCWLKPSFH-INIZCTEOSA-N","376175",NA,"PDBC46112","656709","Present"
-"NSC656711","","","","","","","","","","","","","","","","","","","","NSC656711","","CCN(CC)CC1=CC(=CC(=C1O)CN(CC)CC)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3.Cl","DDEKNUXJOSZEPU-UHFFFAOYSA-N","376177",NA,"PDBC46113","656711","Present"
-"NSC656725","","","","","","","","","","","","","","","","","","","","NSC656725","","CC1=C(C2CCCCCC(C2C1=O)C(=O)OC)CO","RDIWGZIGEVJSHX-VUDPYIQVSA-N","376190",NA,"PDBC46114","656725","Present"
-"NSC656726","","","","","","","","","","","","","","","","","","","","NSC656726","","CC1=C(C2CCCCC(C2C1=O)C(=O)OC)C(=O)OC","PKCLVAQEGIHWKZ-VXFCFVAISA-N","376191",NA,"PDBC46115","656726","Present"
-"NSC656727","","","","","","","","","","","","","","","","","","","","NSC656727","","CCC1=C(C2CCCCCC(C2C1=O)C(=O)OC)C(=O)C","RXEOEUAEXSBWND-IKCIUXDWSA-N","376192",NA,"PDBC46116","656727","Present"
-"NSC656728","","","","","","","","","","","","","","","","","","","","NSC656728","","CC1=C(C2CCCC(C2C1=O)C(=O)OC)CO","PRBDOAIFHXDNOT-PGIIIRCOSA-N","376193",NA,"PDBC46117","656728","Present"
-"NSC656729","","","","","","","","","","","","","","","","","","","","NSC656729","","CCC1=C(C2CCCCC(C2C1=O)C(=O)OC)C(=O)C","YWXVYOWSAKMTHO-HFUMIRBISA-N","376194",NA,"PDBC46118","656729","Present"
-"NSC656731","","","","","","","","","","","","","","","","","","","","NSC656731","","CC(C(C1=CC=CC=C1)O)C(=O)N2C(C(N(C2=O)C(=O)C(C)C(C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5","VPYJTJAWJILYBY-CAILYHCBSA-N","376196",NA,"PDBC46119","656731","Present"
-"NSC656742","","","","","","","","","","","","","","","","","","","","NSC656742","","C1C=C(C2CC34C1(CC=C(C(C3)O2)Br)COC4)Br","SWXRIKQGWWGZFX-VTXSZYRJSA-N","376205",NA,"PDBC46120","656742","Present"
-"NSC656776","","","","","","","","","","","","","","","","","","","","NSC656776","","CC(=O)C1=NN(C2(CSCN2C1=O)C(=O)OC)C(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC","SFZRZGLNYDVTSD-QZTJIDSGSA-N","6712102",NA,"PDBC46121","656776","Present"
-"NSC656777","","","","","","","","","","","","","","","","","","","","NSC656777","","CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=C(C=C1)N(C)C)OCC","IGNUDNBHYTWKPL-UHFFFAOYSA-N","3086593",NA,"PDBC46122","656777","Present"
-"NSC656781","","","","","","","","","","","","","","","","","","","","NSC656781","","COC1=CC=CC=C1CNCCCCCNCCCCCCCCCCNCCCCCNCC2=CC=CC=C2OC.Cl","FKLBBTRSYWUCLH-UHFFFAOYSA-N","376213",NA,"PDBC46123","656781","Present"
-"NSC656905","","","","","","","","","","","","","","","","","","","","NSC656905","","CC1=CN(C(=O)NC1=O)C2CN(CC(O2)CO)O","NPYQCKCULLEPAV-JGVFFNPUSA-N","376225",NA,"PDBC46124","656905","Present"
-"NSC656906","","","","","","","","","","","","","","","","","","","","NSC656906","","CC1=CN(C(=O)NC1=O)C2CN(CC(O2)COC(=O)C)OC(=O)C","ZSTVKXLULUZOAT-NEPJUHHUSA-N","376226",NA,"PDBC46125","656906","Present"
-"NSC656915","","","","","","","","","","","","","","","","","","","","NSC656915","","CC1=NC(COC1=O)(C)C2CC3C=CC2C3=O","WSIRDTJPPCMRBD-HWMWNZGHSA-N","6712107",NA,"PDBC46126","656915","Present"
-"NSC656916","","","","","","","","","","","","","","","","","","","","NSC656916","","CC1=NC(COC1=O)(C)C2CC3C=CC2C3=O","WSIRDTJPPCMRBD-HEJPYPEKSA-N","6712108",NA,"PDBC46127","656916","Present"
-"NSC656917","","","","","","","","","","","","","","","","","","","","NSC656917","","CC(CO)(C1CC2C=CC1C2(OC)OC)N","JYSJAEKVNNAEAN-AHELAYONSA-N","6712109",NA,"PDBC46128","656917","Present"
-"NSC656969","","","","","","","","","","","","","","","","","","","","NSC656969","","CC(C)(C)C1N(CC2(N1C(=O)OC2C3=CC=CC=C3)C(=O)OC)C","HRYXDZVWGIMPPC-HJFZTSBYSA-N","376263",NA,"PDBC46129","656969","Present"
-"NSC656989","","","","","","","","","","","","","","","","","","","","NSC656989","","CCCCCCCCCCCCCC(=O)OCC(CCS(=O)(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C)OC(=O)CCCCCCCCCCCCC","JBPJZCIZQUIAPP-ONLSQAIHSA-N","376276",NA,"PDBC46130","656989","Present"
-"NSC657025","","","","","","","","","","","","","","","","","","","","NSC657025","","COC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=CNC4=C3C=CC=N4.Cl","NSOJXVRGPOOUBB-UHFFFAOYSA-N","5467630",NA,"PDBC46131","657025","Present"
-"NSC657131","","","","","","","","","","","","","","","","","","","","NSC657131","","CC1(OCC(O1)C2C3C(C(O2)N4C(CC(O4)CI)C5=CC=CC=C5)OC(O3)(C)C)C","DNMZRVPVAJJKCP-IACCGRTASA-N","376318",NA,"PDBC46132","657131","Present"
-"NSC657132","","","","","","","","","","","","","","","","","","","","NSC657132","","CCCCCCCC1C2=NC(=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C=C(C(=C2)N5)C)C)CCC(=O)O)CCC(=O)O)C)C1(C)CC(=O)N(C)C","RDFTUVJAQXQAKR-RQOKWHBQSA-N","6712120",NA,"PDBC46133","657132","Present"
-"NSC657171","","","","","","","","","","","","","","","","","","","","NSC657171","","CC1C(C2(C(C(=CC1(C2OC(=O)C)CC=C)OC)O)OC)C3=CC4=C(C(=C3)OC)OCO4","JOVUASOEFFIFHT-VAZHCZAXSA-N","376339",NA,"PDBC46134","657171","Present"
-"NSC657281","","","","","","","","","","","","","","","","","","","","NSC657281","","CC(C)CCCC(C)C1CCC2(C1(CC(=O)C3=C4CCC(C(C4=CC(=C32)N)(C)C)OC(=O)C)C)C","UVEONZSTDWUGCL-FQPKYVBKSA-N","6712123",NA,"PDBC46135","657281","Present"
-"NSC657282","","","","","","","","","","","","","","","","","","","","NSC657282","","CC(CC=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)C3CCC4C3(C(CC5C4C(CC6C5(CCC(C6)OC(=O)C)C)OC(=O)C)OC(=O)C)C","IBIFLTCGOWPDDM-YSPYFAEQSA-N","376380",NA,"PDBC46136","657282","Present"
-"NSC657283","","","","","","","","","","","","","","","","","","","","NSC657283","","CC(CC=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3CCC4C3(C(CC5C4C(CC6C5(CCC(C6)OC(=O)C)C)OC(=O)C)OC(=O)C)C","SIMBIMVQGUIBOO-AGAGJJGYSA-N","376381",NA,"PDBC46137","657283","Present"
-"NSC657300","","","","","","","","","","","","","","","","","","","","NSC657300","","C1CC2=CC=CC=C2CC1=NNC(=S)N","PRPQTKXPDREXDT-JLHYYAGUSA-N","5465605",NA,"PDBC46138","657300","Present"
-"NSC657301","","","","","","","","","","","","","","","","","","","","NSC657301","","CCN1CCC(C(C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)(C=CC3=CC(=C(C=C3)Cl)Cl)O.Cl","RMNJSFMUENDUHU-PFNZFPJOSA-N","5467640",NA,"PDBC46139","657301","Present"
-"NSC657302","","","","","","","","","","","","","","","","","","","","NSC657302","","CCN1CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)OC)(C=CC3=CC=C(C=C3)OC)O.Cl","GHAYCVLLDHWCPM-LXGWYQKSSA-N","5467642",NA,"PDBC46140","657302","Present"
-"NSC657311","","","","","","","","","","","","","","","","","","","","NSC657311","","CC1=CC(=C(C2=C1C(=O)C=C(O2)C(=C(C)O)C(=O)C)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","FYXYNYDJHNUTPL-DHRITJCHSA-N","135499367",NA,"PDBC46141","657311","Present"
-"NSC657353","","","","","","","","","","","","","","","","","","","","NSC657353","","C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","WQYGOSLBZQYJFR-QOMWVZHYSA-N","6081149",NA,"PDBC46142","657353","Present"
-"NSC657354","","","","","","","","","","","","","","","","","","","","NSC657354","","CC1=NC(=CC2=CC=CC=C2O)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","LCHLZKBAEBXXNK-QNGOZBTKSA-N","5924006",NA,"PDBC46143","657354","Present"
-"NSC657355","","","","","","","","","","","","","","","","","","","","NSC657355","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=NC(=CC5=CC=CC=C5O)C4=O)C6=CC=CC=C6","AXZKDFXRZWPJKB-PLRJNAJWSA-N","5922140",NA,"PDBC46144","657355","Present"
-"NSC657358","","","","","","","","","","","","","","","","","","","","NSC657358","","CC1=NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","RJBINDGPUXDXQT-JCMHNJIXSA-N","5919914",NA,"PDBC46145","657358","Present"
-"NSC657359","","","","","","","","","","","","","","","","","","","","NSC657359","","CC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","JXCUGZQWESOSDR-JCMHNJIXSA-N","6110524",NA,"PDBC46146","657359","Present"
-"NSC657360","","","","","","","","","","","","","","","","","","","","NSC657360","","CC1=NC(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","HOQCCCTWTQVFAP-HMAPJEAMSA-N","5937027",NA,"PDBC46147","657360","Present"
-"NSC657371","","","","","","","","","","","","","","","","","","","","NSC657371","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)OC)C(=O)CC4=CC=CC=C4","BMKFXNMFVDIFAA-UHFFFAOYSA-N","376457",NA,"PDBC46148","657371","Present"
-"NSC657377","","","","","","","","","","","","","","","","","","","","NSC657377","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC4=CC=CC=C4","SHCZDIIKPIUSND-UHFFFAOYSA-N","376463",NA,"PDBC46149","657377","Present"
-"NSC657422","","","","","","","","","","","","","","","","","","","","NSC657422","","CC(=O)NC1=NC(=O)C(=CC2=CC=CC=C2Cl)N1C","QFCCHNZINWRSPJ-XFFZJAGNSA-N","20835057",NA,"PDBC46150","657422","Present"
-"NSC657424","","","","","","","","","","","","","","","","","","","","NSC657424","","CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-].[Na+]","SGBPNRPBCKINDL-UHFFFAOYSA-N","54600958",NA,"PDBC46151","657424","Present"
-"NSC657425","","","","","","","","","","","","","","","","","","","","NSC657425","","CC(=O)NC1=NC(=O)C(=CC2=C(C=CC(=C2)OC)OC)N1C","QCAJKOPACIJVJA-WQLSENKSSA-N","20834994",NA,"PDBC46152","657425","Present"
-"NSC657426","","","","","","","","","","","","","","","","","","","","NSC657426","","CC(=O)C1C(=O)C(=O)N(C1=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Na+]","YLRLVJCVKAHGCN-UHFFFAOYSA-N","54604809",NA,"PDBC46153","657426","Present"
-"NSC657427","","","","","","","","","","","","","","","","","","","","NSC657427","","CC(=O)C1C(=O)C(=O)N(C1=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Na+]","UIDBVGUYMYCJES-UHFFFAOYSA-N","54608199",NA,"PDBC46154","657427","Present"
-"NSC657429","","","","","","","","","","","","","","","","","","","","NSC657429","","CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-].[Na+]","QMOMYKGCNYLGDJ-UHFFFAOYSA-N","54608864",NA,"PDBC46155","657429","Present"
-"NSC657430","","","","","","","","","","","","","","","","","","","","NSC657430","","CC(=O)NC1=NC(=O)C(=CC2=C(C=C(C=C2)Cl)Cl)N1C","IAIBEIFGSUEZLB-WZUFQYTHSA-N","20835176",NA,"PDBC46156","657430","Present"
-"NSC657433","","","","","","","","","","","","","","","","","","","","NSC657433","","CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC=C(C=C2)Br.[Na+]","YKAWMCRKDMQVFS-UHFFFAOYSA-N","54608585",NA,"PDBC46157","657433","Present"
-"NSC657435","","","","","","","","","","","","","","","","","","","","NSC657435","","COC1=CC=CC(=C1O)C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC=CC=C4.[Cl-]","GILHFQNVPRUITG-UHFFFAOYSA-N","50986647",NA,"PDBC46158","657435","Present"
-"NSC657436","","","","","","","","","","","","","","","","","","","","NSC657436","","C1=CC(=C(C=C1C2=CSC3=[N+]2C(=O)C(=CC4=C(C=C(C=C4)Cl)Cl)S3)O)O.[Cl-]","JNFFGXBZSUUKHV-FPUQOWELSA-N","50986637",NA,"PDBC46159","657436","Present"
-"NSC657437","","","","","","","","","","","","","","","","","","","","NSC657437","","CC(=O)NNC(=S)N=CC1=C(C2=CC=CC=C2OC1=O)O","FVPQBTZMRPXWDW-NSIKDUERSA-N","135499368",NA,"PDBC46160","657437","Present"
-"NSC657440","","","","","","","","","","","","","","","","","","","","NSC657440","","COC1=CC=CC=C1C=C2C(=O)[N+]3=C(S2)SC=C3CC(=O)NC4=CC=CC=C4.[Br-]","LJJKZMGKCLZVHT-NWBUNABESA-N","54598688",NA,"PDBC46161","657440","Present"
-"NSC657443","","","","","","","","","","","","","","","","","","","","NSC657443","","CCOC(=O)CC1=CSC2=[N+]1C(=O)C(=CC3=C(C(=CC=C3)Cl)Cl)S2.[Cl-]","YUSDNKKIWUBPQK-WXIWBVQFSA-M","54611298",NA,"PDBC46162","657443","Present"
-"NSC657444","","","","","","","","","","","","","","","","","","","","NSC657444","","CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","WOXYIOOGPNCFDA-MFVDZPRVSA-N","5467647",NA,"PDBC46163","657444","Present"
-"NSC657453","","","","","","","","","","","","","","","","","","","","NSC657453","","COC1=C(C=C(C=C1)C=C2C(=O)NC(=NNC3=NC(=CS3)C4=CC=CC=C4)S2)OC","UTQSUAZAWYRLIC-WQRHYEAKSA-N","135451678",NA,"PDBC46164","657453","Present"
-"NSC657454","","","","","","","","","","","","","","","","","","","","NSC657454","","COC1=CC=CC=C1C=C2C(=O)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","UXRHZFZZJMBGMU-BOSGCFSHSA-N","5467648",NA,"PDBC46165","657454","Present"
-"NSC657460","","","","","","","","","","","","","","","","","","","","NSC657460","","CCCNC(=S)N=CC1=C(C2=CC=CC=C2OC1=O)O","STDCSQSRHMZUFT-PXNMLYILSA-N","135499370",NA,"PDBC46166","657460","Present"
-"NSC657491","","","","","","","","","","","","","","","","","","","","NSC657491","","","","",NA,"PDBC46167","657491","Present"
-"NSC657492","","","","","","","","","","","","","","","","","","","","NSC657492","","","","",NA,"PDBC46168","657492","Present"
-"NSC657493","","","","","","","","","","","","","","","","","","","","NSC657493","","","","",NA,"PDBC46169","657493","Present"
-"NSC657494","","","","","","","","","","","","","","","","","","","","NSC657494","","","","",NA,"PDBC46170","657494","Present"
-"NSC657495","","","","","","","","","","","","","","","","","","","","NSC657495","","","","",NA,"PDBC46171","657495","Present"
-"NSC657496","","","","","","","","","","","","","","","","","","","","NSC657496","","","","",NA,"PDBC46172","657496","Present"
-"NSC657497","","","","","","","","","","","","","","","","","","","","NSC657497","","","","",NA,"PDBC46173","657497","Present"
-"NSC657505","","","","","","","","","","","","","","","","","","","","NSC657505","","C=C1CC(C2C1CC3C2CCC3)(C#N)C#N.C=C1CC(C2C1C3CCCC3C2)(C#N)C#N","KKVLJNAIHNYGTJ-JDVCXJQQSA-N","376539",NA,"PDBC46174","657505","Present"
-"NSC657558","","","","","","","","","","","","","","","","","","","","NSC657558","","C1=CC=C(C(=C1)C=NC(C2=CC=CC=C2O)N=CC3=CC=CC=C3[O-])[O-].C1=CC=C(C(=C1)C=NC(C2=CC=CC=C2O)N=CC3=CC=CC=C3[O-])[O-].[Zr+4]","GCCCONQAXVGKKZ-UQAYRYHPSA-J","9571799",NA,"PDBC46175","657558","Present"
-"NSC657564","","","","","","","","","","","","","","","","","","","","NSC657564","","COC(=O)C1(CCCCCCN1C(=O)C2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3","BHBPEOMTJUUWBV-HHHXNRCGSA-N","6712148",NA,"PDBC46176","657564","Present"
-"NSC657569","","","","","","","","","","","","","","","","","","","","NSC657569","","CCOC(=O)C1=C(N=C(S1)NN=C2NC(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S2)C","QTTBBTAPWAAFNE-WQLSENKSSA-N","135481374",NA,"PDBC46177","657569","Present"
-"NSC657571","","","","","","","","","","","","","","","","","","","","NSC657571","","CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl.[Na+]","MMKTVWILXARYAW-UHFFFAOYSA-N","54608599",NA,"PDBC46178","657571","Present"
-"NSC657572","","","","","","","","","","","","","","","","","","","","NSC657572","","CC1=CC=CC=C1NC(=O)CC2=CSC3=[N+]2C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])S3.[Br-]","LBQRJKODMVELNH-LFYAFSDUSA-N","24202437",NA,"PDBC46179","657572","Present"
-"NSC657574","","","","","","","","","","","","","","","","","","","","NSC657574","","C1=CC=C2C(=C1)C(=O)C(=CN3C(=O)C(=CC4=CC(=CC=C4)O)NC3=O)C(=O)O2","PVNOTJNNKRECQD-CEUHLDMKSA-N","6270268",NA,"PDBC46180","657574","Present"
-"NSC657577","","","","","","","","","","","","","","","","","","","","NSC657577","","CC1(CC(=C(C(=O)C1)C=NC2=NC(=CS2)C3=CC=C(C=C3)Br)O)C.Br","CLZDGWDVQGEFQJ-NFLPFLSFSA-N","135450436",NA,"PDBC46181","657577","Present"
-"NSC657578","","","","","","","","","","","","","","","","","","","","NSC657578","","CC1=CC(=O)C(=CN2C(=O)C(=CC3=CN=CC=C3)NC2=S)C(=O)O1","UPRZQJFCWDOXRQ-KPEOIQKJSA-N","54611299",NA,"PDBC46182","657578","Present"
-"NSC657581","","","","","","","","","","","","","","","","","","","","NSC657581","","CC1(CC(=C(C(=O)C1)C=NC2=NC(=CS2)C3=CC=CC=C3)O)C.Br","NYCNWPPSYLTTQL-ZIOFAICLSA-N","135450437",NA,"PDBC46183","657581","Present"
-"NSC657585","","","","","","","","","","","","","","","","","","","","NSC657585","","CCOC(=O)CC1=CSC2=[N+]1C(=O)C(=CC3=C(C(=CC=C3)OC)O)S2.[Cl-]","KLOVRDAEAPKSDZ-UHFFFAOYSA-N","6517806",NA,"PDBC46184","657585","Present"
-"NSC657608","","","","","","","","","","","","","","","","","","","","NSC657608","","CC1(CC(=C(C(=O)C1)C=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])O)C.[Cl-]","RVXCKDDAWQYTHT-MYHMWQFYSA-M","135450438",NA,"PDBC46185","657608","Present"
-"NSC657674","","","","","","","","","","","","","","","","","","","","NSC657674","","CC1=C(C=C(C(=N1)C)C(=O)NNC(=O)C[N+](C)(C)C)C(=O)NNC(=O)C[N+](C)(C)C.[Cl-]","QJKHXLKPUYWOLU-UHFFFAOYSA-O","376643",NA,"PDBC46186","657674","Present"
-"NSC657699","","","","","","","","","","","","","","","","","","","","NSC657699","","CC1=C(SC(=N1)NN=C2NC(=O)C(=CC3=C(C(=CC=C3)OC)O)S2)C","HTRXFQOHRYUQQD-GHXNOFRVSA-N","135499373",NA,"PDBC46187","657699","Present"
-"NSC657704","","","","","","","","","","","","","","","","","","","","NSC657704","","C1=CC=C(C(=C1)C=C2C(=O)N(C(=O)N2)C=C3C(=O)C4=CC=CC=C4OC3=O)O","OXOLJTSYTWUJTR-DVICISQYSA-N","5459242",NA,"PDBC46188","657704","Present"
-"NSC657709","","","","","","","","","","","","","","","","","","","","NSC657709","","CC(=O)NC1=NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C)OC)N1C","SZPUPKORCAXFCG-GHXNOFRVSA-N","54601658",NA,"PDBC46189","657709","Present"
-"NSC657712","","","","","","","","","","","","","","","","","","","","NSC657712","","CC1=C(C(=CC=C1)N2C(=O)C(C(=O)C2=O)C(=O)C)C.[Na+]","NCPPXTGGUUNAFI-UHFFFAOYSA-N","54612596",NA,"PDBC46190","657712","Present"
-"NSC657717","","","","","","","","","","","","","","","","","","","","NSC657717","","C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC=C(C=C4)[N+](=O)[O-].[Br-]","METPXYIWOIXFJA-LFMIJCLESA-M","6517813",NA,"PDBC46191","657717","Present"
-"NSC657729","","","","","","","","","","","","","","","","","","","","NSC657729","","C1OC2=C(O1)C=C(C=C2)C=C3C(=O)OC(N3)C4=CC=CC=C4","WWNBTZIIKMYAOS-JYRVWZFOSA-N","5467675",NA,"PDBC46192","657729","Present"
-"NSC657737","","","","","","","","","","","","","","","","","","","","NSC657737","","C1=CSC(=C1)C(=O)C=C(C2=CSC=C2)C(=O)C3=CC=C(C=C3)Br","FZRHLFKXCZPBNU-GDNBJRDFSA-N","5467677",NA,"PDBC46193","657737","Present"
-"NSC657742","","","","","","","","","","","","","","","","","","","","NSC657742","","COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Br","FTECEXAWFUIWJG-NYYWCZLTSA-N","5357659",NA,"PDBC46194","657742","Present"
-"NSC657745","","","","","","","","","","","","","","","","","","","","NSC657745","","C1=CSC(=C1)C=CC(=O)C2=CC=C(S2)Cl","MGBNVHNNELLVTE-ONEGZZNKSA-N","5356328",NA,"PDBC46195","657745","Present"
-"NSC657774","","","","","","","","","","","","","","","","","","","","NSC657774","","CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)C=NN=CC4=CC=C(C=C4)C5=C[N+]6=CC=CC=C6N5C.[Br-]","IBQBBVTYWBMCCX-IZXMOPRRSA-M","54611300",NA,"PDBC46196","657774","Present"
-"NSC657775","","","","","","","","","","","","","","","","","","","","NSC657775","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C=NNC(=O)C(=O)NN=CC4=CC=C(C=C4)C5=CN6C=CC=CC6=[N+]5C","HBLDPRRLQKBPOH-IBHFGPSZSA-O","54608210",NA,"PDBC46197","657775","Present"
-"NSC657776","","","","","","","","","","","","","","","","","","","","NSC657776","","C[N+]1=C2C=CC(=CN2C=C1C3=CC=C(C=C3)C=NNC(=N)NN=CC4=CC=C(C=C4)C5=CN6C=C(C=CC6=[N+]5C)Cl)Cl.Cl.[Cl-]","HSAFEZIQXPXYAE-VZEHSPQPSA-M","135499375",NA,"PDBC46198","657776","Present"
-"NSC657777","","","","","","","","","","","","","","","","","","","","NSC657777","","C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C=NNC4=NNC(=S)N4NN=CC5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C.[Br-]","DZJAUNQDEGEVLY-IBHFGPSZSA-N","54601659",NA,"PDBC46199","657777","Present"
-"NSC657778","","","","","","","","","","","","","","","","","","","","NSC657778","","CC1=CN2C=C([N+](=C2C=C1)C)C3=CC=C(C=C3)C=NNC(=N)NN=CC4=CC=C(C=C4)C5=CN6C=C(C=CC6=[N+]5C)C.Cl.[Cl-]","QMSHGLAMALWRBV-UZECXPEISA-M","135499376",NA,"PDBC46200","657778","Present"
-"NSC657780","","","","","","","","","","","","","","","","","","","","NSC657780","","C[N+]1=C2N(C=CS2)C=C1C3=CC=C(C=C3)C=NNC(=O)C(=O)NN=CC4=CC=C(C=C4)C5=CN6C=CSC6=[N+]5C.[Br-]","VNNRKZQLRDMHNO-UBKHYGEISA-O","54608744",NA,"PDBC46201","657780","Present"
-"NSC657781","","","","","","","","","","","","","","","","","","","","NSC657781","","CN1C(=C[N+]2=C1SC=C2)C3=CC=C(C=C3)C=NNC(=S)NN=CC4=CC=C(C=C4)C5=C[N+]6=C(N5C)SC=C6.[Br-]","FIMWENYXGPHTLO-LKRVBQNUSA-N","54608583",NA,"PDBC46202","657781","Present"
-"NSC657782","","","","","","","","","","","","","","","","","","","","NSC657782","","C[N+]1=C2N(C=CS2)C=C1C3=CC=C(C=C3)C=NNC4=NC(=NC=C4)NN=CC5=CC=C(C=C5)C6=CN7C=CSC7=[N+]6C.Br.[Br-]","PPFFQTZPHLWHMS-YBJKMDOLSA-M","54602163",NA,"PDBC46203","657782","Present"
-"NSC657788","","","","","","","","","","","","","","","","","","","","NSC657788","","C1=CC=C2C(=C1)C(=C(C3=CC=C(C=C3)[N+](=O)[O-])Br)OC2=O","XNLIZJPSVSOMQT-YPKPFQOOSA-N","5914000",NA,"PDBC46204","657788","Present"
-"NSC657789","","","","","","","","","","","","","","","","","","","","NSC657789","","CC1=CC(=CC=C1)C(=C2C3=CC=CC=C3C(=O)O2)Br","QCHLISHCNOKVIA-PFONDFGASA-N","50987366",NA,"PDBC46205","657789","Present"
-"NSC657875","","","","","","","","","","","","","","","","","","","","NSC657875","","CCCC(=O)N1CCN(CC1)C2=CC3=C(C=C2)OC(O3)C.Cl","AKOLKLZJQJLHMT-UHFFFAOYSA-N","376798",NA,"PDBC46206","657875","Present"
-"NSC657880","","","","","","","","","","","","","","","","","","","","NSC657880","","COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC(=N)N.Cl","NHTUQBOVDLNQIW-SODSUQDMSA-N","5467697",NA,"PDBC46207","657880","Present"
-"NSC657930","","","","","","","","","","","","","","","","","","","","NSC657930","","CCOC(=O)C(S(=NS(=O)(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)(Cl)Cl","QYUQMGIVAWCGQK-UHFFFAOYSA-N","6101994",NA,"PDBC46208","657930","Present"
-"NSC657959","","","","","","","","","","","","","","","","","","","","NSC657959","","CC(=O)C1C(C=CC2=C(C=CC(=C12)OC)OC)C3(SCCS3)C","YRAWULGEUZEPKB-KNVGNIICSA-N","376841",NA,"PDBC46209","657959","Present"
-"NSC657966","","","","","","","","","","","","","","","","","","","","NSC657966","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)C4=CC=C(C=C4)Cl","QMUKUOKRJOJRAA-UHFFFAOYSA-N","376847",NA,"PDBC46210","657966","Present"
-"NSC657967","","","","","","","","","","","","","","","","","","","","NSC657967","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl","BIKVKSCSIMJKAW-UHFFFAOYSA-N","376848",NA,"PDBC46211","657967","Present"
-"NSC657968","","","","","","","","","","","","","","","","","","","","NSC657968","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl","USKWMDLUGKCETH-UHFFFAOYSA-N","376849",NA,"PDBC46212","657968","Present"
-"NSC657969","","","","","","","","","","","","","","","","","","","","NSC657969","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl","DMGXLKKZVBSGHX-UHFFFAOYSA-N","376850",NA,"PDBC46213","657969","Present"
-"NSC657970","","","","","","","","","","","","","","","","","","","","NSC657970","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)Cl","YAJGBQDBXNIWAB-UHFFFAOYSA-N","376851",NA,"PDBC46214","657970","Present"
-"NSC657971","","","","","","","","","","","","","","","","","","","","NSC657971","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl","QBZPGNXXOLBQBP-UHFFFAOYSA-N","376852",NA,"PDBC46215","657971","Present"
-"NSC657972","","","","","","","","","","","","","","","","","","","","NSC657972","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl","OLAJRZGJYUWZEJ-UHFFFAOYSA-N","376853",NA,"PDBC46216","657972","Present"
-"NSC657973","","","","","","","","","","","","","","","","","","","","NSC657973","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)O)OC)C(=O)C4=CC=C(C=C4)Cl","YQCPMTMMHBHNSH-UHFFFAOYSA-N","376854",NA,"PDBC46217","657973","Present"
-"NSC657974","","","","","","","","","","","","","","","","","","","","NSC657974","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=C(C=C4)Cl","OCCVKIPVCAFJRA-UHFFFAOYSA-N","376855",NA,"PDBC46218","657974","Present"
-"NSC657976","","","","","","","","","","","","","","","","","","","","NSC657976","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C4=CC=C(C=C4)Cl","VEHDNVUNMNHFLO-UHFFFAOYSA-N","376857",NA,"PDBC46219","657976","Present"
-"NSC657977","","","","","","","","","","","","","","","","","","","","NSC657977","","CC1=NN(C2=C1C(SC(=N2)N)C=CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","XGOQGZPZPBFDEW-KPKJPENVSA-N","5805193",NA,"PDBC46220","657977","Present"
-"NSC657978","","","","","","","","","","","","","","","","","","","","NSC657978","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CO3)C(=O)C4=CC=C(C=C4)Cl","BRZOIVJIGIWCRE-UHFFFAOYSA-N","376859",NA,"PDBC46221","657978","Present"
-"NSC657981","","","","","","","","","","","","","","","","","","","","NSC657981","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)OC)C(=O)C4=CC=NC=C4","CAEXPSIRBPHCSI-UHFFFAOYSA-N","376862",NA,"PDBC46222","657981","Present"
-"NSC657984","","","","","","","","","","","","","","","","","","","","NSC657984","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=NC=C4","XPPNIJVCIHKXLU-UHFFFAOYSA-N","376865",NA,"PDBC46223","657984","Present"
-"NSC657989","","","","","","","","","","","","","","","","","","","","NSC657989","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)C4=CC=CC=C4O","BVSPERARIJIAHO-UHFFFAOYSA-N","376869",NA,"PDBC46224","657989","Present"
-"NSC657990","","","","","","","","","","","","","","","","","","","","NSC657990","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)C4=CC=CC=C4O","UNSFDNVPARPKIO-UHFFFAOYSA-N","376870",NA,"PDBC46225","657990","Present"
-"NSC657991","","","","","","","","","","","","","","","","","","","","NSC657991","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4O","QBIUUJPBCDSNOS-UHFFFAOYSA-N","376871",NA,"PDBC46226","657991","Present"
-"NSC657992","","","","","","","","","","","","","","","","","","","","NSC657992","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4O","RVAHGYUSMDBODJ-UHFFFAOYSA-N","376872",NA,"PDBC46227","657992","Present"
-"NSC657993","","","","","","","","","","","","","","","","","","","","NSC657993","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)O)C(=O)C4=CC=CC=C4O","BBTFCDQMNLYHNV-UHFFFAOYSA-N","376873",NA,"PDBC46228","657993","Present"
-"NSC657995","","","","","","","","","","","","","","","","","","","","NSC657995","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)O)OC)C(=O)C4=CC=CC=C4O","UVLQPYUTFKQYTA-UHFFFAOYSA-N","376875",NA,"PDBC46229","657995","Present"
-"NSC657998","","","","","","","","","","","","","","","","","","","","NSC657998","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CO3)C(=O)C4=CC=CC=C4O","LUVYBEJIZQWAIG-UHFFFAOYSA-N","376878",NA,"PDBC46230","657998","Present"
-"NSC657999","","","","","","","","","","","","","","","","","","","","NSC657999","","CC1=CC=C(C=C1)C2C3=C(N=C(S2)N)N(N=C3C)C(=O)C4=CC=CC=C4O","QSQVZOUDJRPDFI-UHFFFAOYSA-N","376879",NA,"PDBC46231","657999","Present"
-"NSC658000","","","","","","","","","","","","","","","","","","","","NSC658000","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C4=CC=CC=C4O","QDLCGZDOMXNXPY-UHFFFAOYSA-N","376880",NA,"PDBC46232","658000","Present"
-"NSC658001","","","","","","","","","","","","","","","","","","","","NSC658001","","CC1=NN(C2=C1C(SC(=N2)N)C3=C(C4=CC=CC=C4C=C3)O)C(=O)C5=CC=CC=C5O","HUMLAPTUTYGIRN-UHFFFAOYSA-N","376881",NA,"PDBC46233","658001","Present"
-"NSC658114","","","","","","","","","","","","","","","","","","","","NSC658114","","CC1C#CCC(C=CCCCCC1=O)OCOC","MZBINVXLODRUGH-WEVVVXLNSA-N","5467712",NA,"PDBC46234","658114","Present"
-"NSC658161","","","","","","","","","","","","","","","","","","","","NSC658161","","C1C(C2COC3=NC(=O)C(=CN3C1O2)C=CBr)O","KQCPLTZMVKCRIV-UPHRSURJSA-N","5827504",NA,"PDBC46235","658161","Present"
-"NSC658178","","","","","","","","","","","","","","","","","","","","NSC658178","","COC1=CC=C(C=C1)C2=[S+]C(C3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O","JOCFVIUYAICQFM-UHFFFAOYSA-M","24202445",NA,"PDBC46236","658178","Present"
-"NSC658267","","","","","","","","","","","","","","","","","","","","NSC658267","","CCC1=C(C(=CC=C1)CC)NC2=NC(=CS2)C3=CC=CC=C3C4=CC=CC=C4.Br","NGXUCRKXEWYABF-UHFFFAOYSA-N","377050",NA,"PDBC46237","658267","Present"
-"NSC658280","","","","","","","","","","","","","","","","","","","","NSC658280","","CC1=C(SC(=N1)NC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC=C3.Br","SCICGALPPLYVMG-UHFFFAOYSA-N","377066",NA,"PDBC46238","658280","Present"
-"NSC658284","","","","","","","","","","","","","","","","","","","","NSC658284","","C1=CC(=CC=C1C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC(=C(C=C4)O)O)[N+](=O)[O-].[Cl-]","GZMMNCZZIHCMJG-OYXUYBEVSA-N","54612520",NA,"PDBC46239","658284","Present"
-"NSC658287","","","","","","","","","","","","","","","","","","","","NSC658287","","C=CCN1C(=O)C2=CC=CC=C2[N+]3=C1SC=C3C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]","RJIBEJVHYCQTNV-UHFFFAOYSA-M","377075",NA,"PDBC46240","658287","Present"
-"NSC658288","","","","","","","","","","","","","","","","","","","","NSC658288","","CN1C(=O)C2=CC=CC=C2[N+]3=C1SC=C3C4=CC(=CC=C4)[N+](=O)[O-].[Br-]","BNKLNXGSYXYWGC-UHFFFAOYSA-M","377077",NA,"PDBC46241","658288","Present"
-"NSC658289","","","","","","","","","","","","","","","","","","","","NSC658289","","CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","ODHKGBNZWOWHQJ-NTFMMRTFSA-N","54608213",NA,"PDBC46242","658289","Present"
-"NSC658292","","","","","","","","","","","","","","","","","","","","NSC658292","","CC1=C(SC(=N1)NN=C2NC(=O)C(=CC3=CC=CC=C3OC)S2)C(=O)C","COKVYQHBAPVMTI-JYRVWZFOSA-N","135472679",NA,"PDBC46243","658292","Present"
-"NSC658294","","","","","","","","","","","","","","","","","","","","NSC658294","","CC1=CSC2=[N+]1C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S2.[Cl-]","ZWZLTMVNZSBOCE-ICSBZGNSSA-M","50986628",NA,"PDBC46244","658294","Present"
-"NSC658296","","","","","","","","","","","","","","","","","","","","NSC658296","","COC1=CC=CC=C1C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC(=C(C=C4)O)O.[Cl-]","VYEYYWJNKWLBSR-WPTDRQDKSA-N","6517873",NA,"PDBC46245","658296","Present"
-"NSC658297","","","","","","","","","","","","","","","","","","","","NSC658297","","CC1=C(SC2=[N+]1C3=CC=CC=C3C(=O)N2C)C(=O)C.[Cl-]","WVEGGSRXAUFCQG-UHFFFAOYSA-M","377090",NA,"PDBC46246","658297","Present"
-"NSC658298","","","","","","","","","","","","","","","","","","","","NSC658298","","CCOC(=O)C1=C([N+]2=C(S1)N(C(=O)C3=CC=CC=C32)CC=C)C.[Cl-]","YDAJLLMVHLPISI-UHFFFAOYSA-M","377092",NA,"PDBC46247","658298","Present"
-"NSC658299","","","","","","","","","","","","","","","","","","","","NSC658299","","CC1=CSC2=[N+]1C3=CC=CC=C3C(=O)N2C.[Cl-]","LEHYSBBMLZFGRD-UHFFFAOYSA-M","377094",NA,"PDBC46248","658299","Present"
-"NSC658306","","","","","","","","","","","","","","","","","","","","NSC658306","","CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)N=NC2=C(NC3=CC=CC=C32)O","WFCJXKRYLJVWFQ-NGOQBXJDSA-N","135499379",NA,"PDBC46249","658306","Present"
-"NSC658307","","","","","","","","","","","","","","","","","","","","NSC658307","","CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)NC2=CC(=C(C=C2)Cl)Cl","GKDDOSKNOJHEFE-WBDKJCPFSA-N","135499380",NA,"PDBC46250","658307","Present"
-"NSC658311","","","","","","","","","","","","","","","","","","","","NSC658311","","CCOC1=CC=C(C=C1)C=C2C(=O)N=C(N2C)NC(=O)C","JXLAZZVWHTZSKO-LCYFTJDESA-N","6375025",NA,"PDBC46251","658311","Present"
-"NSC658312","","","","","","","","","","","","","","","","","","","","NSC658312","","CC(=O)NC1=NC(=O)C(=CC2=CC=C(C=C2)C=C3C(=O)N=C(N3C)NC(=O)C)N1C","TXNIBZOTXQRZDN-VULZFCBJSA-N","54608796",NA,"PDBC46252","658312","Present"
-"NSC658314","","","","","","","","","","","","","","","","","","","","NSC658314","","C1=CN=CC=C1C(=S)NC=C(C#N)C(=O)N","ZARCIHYRTWXGFV-VURMDHGXSA-N","51059369",NA,"PDBC46253","658314","Present"
-"NSC658315","","","","","","","","","","","","","","","","","","","","NSC658315","","CCOP(=O)(C(=CN1C(=O)CC(=O)NC1=S)C(=O)OC)OCC","QBRDMNLBBRNUEY-FPLPWBNLSA-N","54608215",NA,"PDBC46254","658315","Present"
-"NSC658321","","","","","","","","","","","","","","","","","","","","NSC658321","","CCOP(=O)(C(=CN1C2=C(C=C(C=C2)C)NC1=S)C(=O)OC)OCC","OGHXQXOXSWUVDD-UVTDQMKNSA-N","54601660",NA,"PDBC46255","658321","Present"
-"NSC658333","","","","","","","","","","","","","","","","","","","","NSC658333","","CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)NC2=CC=CC=C2","WJTASNVMIXMJIH-RFPHZZGESA-N","135409112",NA,"PDBC46256","658333","Present"
-"NSC658337","","","","","","","","","","","","","","","","","","","","NSC658337","","C1=CC(=CC=C1NC(=S)NC=C(C#N)C(=O)N)S(=O)(=O)N","KZDNJZDVBCTUOL-SREVYHEPSA-N","54611306",NA,"PDBC46257","658337","Present"
-"NSC658343","","","","","","","","","","","","","","","","","","","","NSC658343","","C1=CC=C(C=C1)C2=CSC(=N2)N=CC3=C(C4=CC=CC=C4OC3=O)O.Cl","SRQDMOGWMQHQFX-NVMQZCJTSA-N","135499385",NA,"PDBC46258","658343","Present"
-"NSC658351","","","","","","","","","","","","","","","","","","","","NSC658351","","CCC1=C(C(=CC=C1)C(C)(C)C)NC(=S)NC=C(C#N)C(=O)N","KYFOIAWKPSURFK-BENRWUELSA-N","54608602",NA,"PDBC46259","658351","Present"
-"NSC658388","","","","","","","","","","","","","","","","","","","","NSC658388","","CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN(C)C.Cl","RSKOBACAHCQHSX-UHFFFAOYSA-N","377173",NA,"PDBC46260","658388","Present"
-"NSC658393","","","","","","","","","","","","","","","","","","","","NSC658393","","CC1=C2C3C(C4(CCC(C(=C)C4C5C(C2(C)C)(CC1=O)OC(O5)(C)C)O)C)OC(O3)(C)C","XJGPBSYSHGUSPT-QYSSHOGISA-N","377176",NA,"PDBC46261","658393","Present"
-"NSC658400","","","","","","","","","","","","","","","","","","","","NSC658400","","COC1=C(C=C(C=C1)C(=C(CCl)C2=CC=CC=C2)NC3=CC=CC=C3)OC.Cl","MSOGMGVLQQZHDM-QTXBERLJSA-N","5467728",NA,"PDBC46262","658400","Present"
-"NSC658401","","","","","","","","","","","","","","","","","","","","NSC658401","","COC1=C(C=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)NC3=CC=CC=C3)CCl)OC.Cl","ILCUSNSOCMMMLZ-RKVLWQGQSA-N","5467730",NA,"PDBC46263","658401","Present"
-"NSC658483","","","","","","","","","","","","","","","","","","","","NSC658483","","COC1=CC=CC(=C1O)C=C2C(=O)N(C(=S)S2)C=C3C(=O)C4=CC=CC=C4OC3=O","CLNIRWFKRUWELS-UXTDIZNLSA-N","54602164",NA,"PDBC46264","658483","Present"
-"NSC658488","","","","","","","","","","","","","","","","","","","","NSC658488","","CC1=CSC(=N1)N=CC2=C(C3=CC=CC=C3OC2=O)O.Cl","BHTOTDRZGHWNPG-PSUINESXSA-N","135499386",NA,"PDBC46265","658488","Present"
-"NSC658489","","","","","","","","","","","","","","","","","","","","NSC658489","","COC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)C=C3C(=O)C4=CC=CC=C4OC3=O","WWERVYUIRXOTIA-VGKBPNIWSA-N","54608139",NA,"PDBC46266","658489","Present"
-"NSC658493","","","","","","","","","","","","","","","","","","","","NSC658493","","CC(=O)NC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O","ZZOIDNCOXBGNNJ-ZTLHOUMVSA-N","54601661",NA,"PDBC46267","658493","Present"
-"NSC658496","","","","","","","","","","","","","","","","","","","","NSC658496","","C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)C=C4C(=O)C5=CC=CC=C5OC4=O","SMWXVSXJSFPHNB-CXENGOTMSA-N","54608897",NA,"PDBC46268","658496","Present"
-"NSC658497","","","","","","","","","","","","","","","","","","","","NSC658497","","C1=CC=C2C(=C1)C(=O)C(=CN3C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])SC3=S)C(=O)O2","DJFUFNNDOAUACG-FUVGAYRCSA-N","54608884",NA,"PDBC46269","658497","Present"
-"NSC658499","","","","","","","","","","","","","","","","","","","","NSC658499","","CCOC1=CC=C(C=C1)NC(=S)N=CC(=C(C2=CC=CC=C2)O)C(=O)OCC","YIODMSGBRVFHJX-UIFYJBIOSA-N","135499387",NA,"PDBC46270","658499","Present"
-"NSC658503","","","","","","","","","","","","","","","","","","","","NSC658503","","CCOC(=O)C(=C(C(=O)OCC)O)C=NC(=S)NCC=C","NJGNCVGNFALPIN-VIHGFWTDSA-N","135499388",NA,"PDBC46271","658503","Present"
-"NSC658505","","","","","","","","","","","","","","","","","","","","NSC658505","","C1=CC=C2C(=C1)NC(=S)N2C=C(C#N)C(=O)N","COAHLGJAPVYRQB-SREVYHEPSA-N","21148650",NA,"PDBC46272","658505","Present"
-"NSC658507","","","","","","","","","","","","","","","","","","","","NSC658507","","CCOC(=O)C(=CN1C2=CC=CC=C2SC1=O)C(=O)C3=CC=CC=C3","HOKODFITTJUAMH-OWBHPGMISA-N","5912247",NA,"PDBC46273","658507","Present"
-"NSC658508","","","","","","","","","","","","","","","","","","","","NSC658508","","CCC1=C(C(=CC=C1)C(C)(C)C)NC(=S)N=CC(=C(C2=CC=CC=C2)O)C(=O)OCC","URISGAGCFZMNDV-OGEHTOLHSA-N","135499389",NA,"PDBC46274","658508","Present"
-"NSC658510","","","","","","","","","","","","","","","","","","","","NSC658510","","CCOC(=O)C(=C(C1=CC=CC=C1)O)C=NC(=S)NC2=CC(=C(C=C2)Cl)Cl","FGYDRYWSRQNBNL-YJPFOAFUSA-N","135499390",NA,"PDBC46275","658510","Present"
-"NSC658511","","","","","","","","","","","","","","","","","","","","NSC658511","","CCOC(=O)C(=C(C(=O)OCC)O)C=NC(=S)NC1=CC=CC=C1Cl","JAAOGEYDYYULDH-UGXMITNPSA-N","135499391",NA,"PDBC46276","658511","Present"
-"NSC658576","","","","","","","","","","","","","","","","","","","","NSC658576","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O","JPMRHWLJLNKRTJ-ZMFCMNQTSA-N","377288",NA,"PDBC46277","658576","Present"
-"NSC658582","","","","","","","","","","","","","","","","","","","","NSC658582","","","","",NA,"PDBC46278","658582","Present"
-"NSC658699","","","","","","","","","","","","","","","","","","","","NSC658699","","CC1CCC(C(=O)C1)(C(C)(C)OC)O","BHLUHWXCQDNTHP-RZZZFEHKSA-N","377297",NA,"PDBC46279","658699","Present"
-"NSC658708","","","","","","","","","","","","","","","","","","","","NSC658708","","C1=CC=C(C=C1)NC(=CC(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=N3","XQCRSOLOBJGKML-NBVRZTHBSA-N","5920663",NA,"PDBC46280","658708","Present"
-"NSC658713","","","","","","","","","","","","","","","","","","","","NSC658713","","COC1=C(C(=C(C(=C1F)F)C(=CC2=NC3=CC=CC=C3NC2=O)O)F)F","GRUHNXDANRZHFE-UXBLZVDNSA-N","135499392",NA,"PDBC46281","658713","Present"
-"NSC658714","","","","","","","","","","","","","","","","","","","","NSC658714","","C1=CC=C(C=C1)C(=NN=C2C=CC(=O)O2)C3=CC=CC=C3","QYPGCGPUCBQSKZ-OBGWFSINSA-N","5465664",NA,"PDBC46282","658714","Present"
-"NSC658725","","","","","","","","","","","","","","","","","","","","NSC658725","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)N=C(NN4)SC(=C(SC5=NC(=O)C6(C7=CC=CC=C7C8=CC=CC=C86)NN5)SC9=NC(=O)C1(C2=CC=CC=C2C2=CC=CC=C21)NN9)SC1=NC(=O)C2(C3=CC=CC=C3C3=CC=CC=C32)NN1","VTBQQSLCZGGTPR-UHFFFAOYSA-N","16129880",NA,"PDBC46283","658725","Present"
-"NSC658788","","","","","","","","","","","","","","","","","","","","NSC658788","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(=O)O)N","RZJBKFGYCWCCIL-UHFFFAOYSA-N","377347",NA,"PDBC46284","658788","Present"
-"NSC658791","","","","","","","","","","","","","","","","","","","","NSC658791","","COC1=C(C=C(C=C1)CCNC(=S)N=CC2=C(C3=CC=CC=C3C2=O)O)OC","RSFQVHAHTBDLFY-FMCGGJTJSA-N","135499393",NA,"PDBC46285","658791","Present"
-"NSC658794","","","","","","","","","","","","","","","","","","","","NSC658794","","CN(C1=C(C(=O)NN=C1)Cl)NC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3","XBIKLVKXOSGMNL-GXDHUFHOSA-N","6106186",NA,"PDBC46286","658794","Present"
-"NSC658795","","","","","","","","","","","","","","","","","","","","NSC658795","","C1=CC2=C(C=C1[N+](=O)[O-])N(C(=S)N2)C=C(C#N)C(=O)N","JSMXIKIHTMCPFU-WAYWQWQTSA-N","54608797",NA,"PDBC46287","658795","Present"
-"NSC658796","","","","","","","","","","","","","","","","","","","","NSC658796","","CCOC(=O)C(=C(C(=O)OCC)O)C=NC(=S)NC1=CC(=C(C=C1)Cl)Cl","KDRPZMOQADGTIB-RZEFXRLESA-N","135499394",NA,"PDBC46288","658796","Present"
-"NSC658798","","","","","","","","","","","","","","","","","","","","NSC658798","","CCN1C(=C(SC1=NNC2=NC(=CS2)C3=CC(=C(C=C3)O)O)C=NC4=CC=CC=C4)O","FDKSDGFEJYKBIT-DPDMXSAESA-N","135499395",NA,"PDBC46289","658798","Present"
-"NSC658799","","","","","","","","","","","","","","","","","","","","NSC658799","","CCOC(=O)CC1=CSC(=N1)N=CC2=C(C3=CC=CC=C3OC2=O)O.Cl","IVUOVBMQRDPJLY-NOILCQHBSA-N","135499396",NA,"PDBC46290","658799","Present"
-"NSC658830","","","","","","","","","","","","","","","","","","","","NSC658830","","CN1C(=C(N=C1N)C2=CC=C(C=C2)Cl)SSC3=C(N=C(N3C)N)C4=CC=C(C=C4)Cl.Cl","IDTXQACJXCSHRM-UHFFFAOYSA-N","377387",NA,"PDBC46291","658830","Present"
-"NSC658881","","","","","","","","","","","","","","","","","","","","NSC658881","","CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(NC2=S)C3=CC=CC=C3)C#N)OC(=O)C)OC(=O)C)OC(=O)C","INYOIXCVZMSMGW-UHFFFAOYSA-N","3473552",NA,"PDBC46292","658881","Present"
-"NSC658883","","","","","","","","","","","","","","","","","","","","NSC658883","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=C(C(=O)N=C2SC)C#N)C3=CC=C(C=C3)OC","XZRBCPIIQDEPMQ-UHFFFAOYSA-N","377434",NA,"PDBC46293","658883","Present"
-"NSC658885","","","","","","","","","","","","","","","","","","","","NSC658885","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)ON3C(=O)C4=CC=CC=C4C3=O","YJFHXGIPDMWAJW-UHFFFAOYSA-N","377435",NA,"PDBC46294","658885","Present"
-"NSC658886","","","","","","","","","","","","","","","","","","","","NSC658886","","CC1C#CCCCC=CC(CCC1=O)OCOC","BWLLOUVOLSIEOO-UWAWJKTMSA-N","11970056",NA,"PDBC46295","658886","Present"
-"NSC658887","","","","","","","","","","","","","","","","","","","","NSC658887","","CC1=C2CCCCC=CC(CC(=C1)O2)OCOC","SDRSFTOWEYDHAW-FNORWQNLSA-N","5467770",NA,"PDBC46296","658887","Present"
-"NSC658900","","","","","","","","","","","","","","","","","","","","NSC658900","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2Cl)C(=O)NNC3=C4C=CC(=CC4=NC=C3)Cl","ZPAXASWMGIZMAR-OEAKJJBVSA-N","5924657",NA,"PDBC46297","658900","Present"
-"NSC658913","","","","","","","","","","","","","","","","","","","","NSC658913","","CCCCCCCCCCCCCCCCCCNC(=S)N=CC1=C(C2=CC=CC=C2C1=O)O","MTQVWCVIIRJXFV-SXBRIOAWSA-N","135499401",NA,"PDBC46298","658913","Present"
-"NSC658927","","","","","","","","","","","","","","","","","","","","NSC658927","","C1=CC=C2C(=C1)C(=NCCCN3C=CN=C3[N+](=O)[O-])C4=CC=CC=C4N2O.[Cl-]","XCXBTRHZGMBTCY-UHFFFAOYSA-M","54608133",NA,"PDBC46299","658927","Present"
-"NSC658962","","","","","","","","","","","","","","","","","","","","NSC658962","","CC12CC(NC3=CC=CC=C3N1C(=NO2)C4=CC=CC=C4)C5=CC=CC=C5","MZCPLTSWSRVBOM-OFNKIYASSA-N","377494",NA,"PDBC46300","658962","Present"
-"NSC658963","","","","","","","","","","","","","","","","","","","","NSC658963","","CC12CC(NC3=CC=CC=C3N1C(=NO2)C4=CC=CC=C4)C5=CC=CC=C5","MZCPLTSWSRVBOM-REWPJTCUSA-N","6712199",NA,"PDBC46301","658963","Present"
-"NSC658993","","","","","","","","","","","","","","","","","","","","NSC658993","","C1CCN(C1)C2CCC3C(C2CC(=O)N3CC4=CC=CC=C4)(O)O","SINUNCSWWDINOL-CGZBRXJRSA-N","6712200",NA,"PDBC46302","658993","Present"
-"NSC658998","","","","","","","","","","","","","","","","","","","","NSC658998","","C1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON4C3(C5C(O4)C(=O)N(C5=O)C6=CC=CC=C6)CCCCC#N","UPTACKWVJNZJIM-BFDHWFPYSA-N","377512",NA,"PDBC46303","658998","Present"
-"NSC659001","","","","","","","","","","","","","","","","","","","","NSC659001","","CC1C(C(=O)C2C13C(CCCC2)C(=C(C3=O)C)C(=O)OC)C(=O)OC","JNPXDBAOOLXSEB-JOUDZAEASA-N","6712202",NA,"PDBC46304","659001","Present"
-"NSC659102","","","","","","","","","","","","","","","","","","","","NSC659102","","C1=CC=C(C=C1)NC(=O)CC2=CSC3=[N+]2C(=O)C(=CC4=CC=C(C=C4)Cl)S3.[Br-]","IPQRYZYNMQOMEU-HVHKRRFMSA-N","5467780",NA,"PDBC46305","659102","Present"
-"NSC659127","","","","","","","","","","","","","","","","","","","","NSC659127","","C[NH+](C)CC(=O)NN=CC1=C(C(=CC=C1)OC)O.[Cl-]","UWKMKZQRWDSQKP-FTPOTTDRSA-N","135499404",NA,"PDBC46306","659127","Present"
-"NSC659128","","","","","","","","","","","","","","","","","","","","NSC659128","","CN(C)C(CN)C1=CC(=C(C(=C1)OC)OC)OC.Cl","FRUKHSCUHARLAD-UHFFFAOYSA-N","377563",NA,"PDBC46307","659128","Present"
-"NSC659151","","","","","","","","","","","","","","","","","","","","NSC659151","","COC1=CC(=CC(=C1OC)OC)CNC2=NCCC2.Br","UDSBPLVETIDKKR-UHFFFAOYSA-N","377583",NA,"PDBC46308","659151","Present"
-"NSC659186","","","","","","","","","","","","","","","","","","","","NSC659186","","C(C=NNC(=S)N)C(C(F)(F)F)(C(F)(F)F)O","VIQYDOCFAGVYKQ-VVHNFQOZSA-N","6374403",NA,"PDBC46309","659186","Present"
-"NSC659189","","","","","","","","","","","","","","","","","","","","NSC659189","","C(C=NNC(=O)N)C(C(F)(F)Cl)(C(F)(F)Cl)O","LPAVFYYLYJWPGT-VVHNFQOZSA-N","6367599",NA,"PDBC46310","659189","Present"
-"NSC659196","","","","","","","","","","","","","","","","","","","","NSC659196","","CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(C(F)(F)F)(C(F)(F)F)O","ROFRLYREHGHRDM-SWNXQHNESA-N","5465675",NA,"PDBC46311","659196","Present"
-"NSC659197","","","","","","","","","","","","","","","","","","","","NSC659197","","CC(C)(CCCCC(C)(C)NCC1COC2=CC=CC=C2O1)NCC3COC4=CC=CC=C4O3.Cl","JZCFMJQVNXUQEY-UHFFFAOYSA-N","377618",NA,"PDBC46312","659197","Present"
-"NSC659199","","","","","","","","","","","","","","","","","","","","NSC659199","","CC1=CC2=C3C(=C1)CCCN3CCC2.Cl","OWSAKNVQSRMIHP-UHFFFAOYSA-N","377621",NA,"PDBC46313","659199","Present"
-"NSC659215","","","","","","","","","","","","","","","","","","","","NSC659215","","C1CCC(=NNC(=S)N)C(C1)C(C(F)(F)Cl)(C(F)(F)Cl)O","AWCNYHYGKNOLOT-NGYBGAFCSA-N","5465676",NA,"PDBC46314","659215","Present"
-"NSC659217","","","","","","","","","","","","","","","","","","","","NSC659217","","C1CC(C(=NN=C2CCCC2C(C(F)(F)Cl)(C(F)(F)Cl)O)C1)C(C(F)(F)Cl)(C(F)(F)Cl)O","FAYSHFCADZNKIX-ZKODPVERSA-N","54608798",NA,"PDBC46315","659217","Present"
-"NSC659223","","","","","","","","","","","","","","","","","","","","NSC659223","","C1CC2=CC(=CC3=C2N(C1)CCC3)O.Br","WNMYRKCOPIEARJ-UHFFFAOYSA-N","377644",NA,"PDBC46316","659223","Present"
-"NSC659225","","","","","","","","","","","","","","","","","","","","NSC659225","","C1=CC=C(C=C1)C(=NN=C(CC(C(F)(F)F)(C(F)(F)F)O)C2=CC=CC=C2)CC(C(F)(F)F)(C(F)(F)F)O","OCYOZXHRTYHUGG-KTGRAOHMSA-N","5362292",NA,"PDBC46317","659225","Present"
-"NSC659239","","","","","","","","","","","","","","","","","","","","NSC659239","","CCOC1CN(C(=NC2=CC=CC3=CC=CC=C32)S1)C.Br","OBZSHEFUHCQPNJ-UHFFFAOYSA-N","377657",NA,"PDBC46318","659239","Present"
-"NSC659247","","","","","","","","","","","","","","","","","","","","NSC659247","","CCN(CC)C1=CC2=C3C(=C1)CCCN3CCC2.Cl","UNPTWNVIBKZOFN-UHFFFAOYSA-N","377666",NA,"PDBC46319","659247","Present"
-"NSC659250","","","","","","","","","","","","","","","","","","","","NSC659250","","C1CCN(CC1)N=C(CC(C(F)(F)F)(C(F)(F)F)O)C2=CC=CS2","UKDFNEMVOUVNKY-UFFVCSGVSA-N","5465683",NA,"PDBC46320","659250","Present"
-"NSC659251","","","","","","","","","","","","","","","","","","","","NSC659251","","CCNC1=CC2=C3C(=C1)CCN3CCC2.Cl","CEXQTUZPOIQXSI-UHFFFAOYSA-N","377670",NA,"PDBC46321","659251","Present"
-"NSC659259","","","","","","","","","","","","","","","","","","","","NSC659259","","CC(=O)O.C1CCC2=CC=CC=C2N(CC1)CCN","HQGBJQUVQHPPIQ-UHFFFAOYSA-N","377678",NA,"PDBC46322","659259","Present"
-"NSC659262","","","","","","","","","","","","","","","","","","","","NSC659262","","CC(=O)O.C1CC2CCC1CN(C2)CCN","CEXAHKCEWNLRRL-UHFFFAOYSA-N","377681",NA,"PDBC46323","659262","Present"
-"NSC659267","","","","","","","","","","","","","","","","","","","","NSC659267","","CC=CC(=NNC(=S)N)CC(C(F)(F)F)(C(F)(F)F)O","OTWWVVZYHILMOL-JTYLTTRESA-N","6374003",NA,"PDBC46324","659267","Present"
-"NSC659271","","","","","","","","","","","","","","","","","","","","NSC659271","","C1CCC2=CC=CC=C2N(CC1)CCN=C(N)N.I","ATBZMTNHEFAAIS-UHFFFAOYSA-N","377688",NA,"PDBC46325","659271","Present"
-"NSC659291","","","","","","","","","","","","","","","","","","","","NSC659291","","CN1C=CN=C1C(C2=C(C=C(C=C2)OC)OC)O","KQGQLLKWJUATFY-UHFFFAOYSA-N","377700",NA,"PDBC46326","659291","Present"
-"NSC659340","","","","","","","","","","","","","","","","","","","","NSC659340","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(NC(=C(C2=O)C#N)C3=CC=CC=C3)SC","DWQCQIFZMNXHBK-UHFFFAOYSA-N","377749",NA,"PDBC46327","659340","Present"
-"NSC659390","","","","","","","","","","","","","","","","","","","","NSC659390","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC3=NC(=CS3)C4=CC(=C(C=C4)O)O)O.Cl","MEEQXDOJNJFNON-BDBVDMKRSA-N","135499410",NA,"PDBC46328","659390","Present"
-"NSC659424","","","","","","","","","","","","","","","","","","","","NSC659424","","CC1=C(SC(=N1)NN=C2NC(=O)C(=CC3=C(C(=CC=C3)OC)O)S2)C(=O)C.Cl","QGQYDNSMOBVCHK-RRAJOLSVSA-N","135499411",NA,"PDBC46329","659424","Present"
-"NSC659466","","","","","","","","","","","","","","","","","","","","NSC659466","","C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=CC=C4C(=O)C5=CC=CC=C5C4=O)S2)C6=CC=CC=C6","KISXNKOWALNSTH-VFCFBJKWSA-N","5467831",NA,"PDBC46330","659466","Present"
-"NSC659509","","","","","","","","","","","","","","","","","","","","NSC659509","","C1=CC(=C(C=C1C2=CSC(=N2)NC=C(C(=O)N)C(=O)N)Cl)Cl.Cl","HBELABUNJFDDRU-UHFFFAOYSA-N","377886",NA,"PDBC46331","659509","Present"
-"NSC659531","","","","","","","","","","","","","","","","","","","","NSC659531","","COC1=CC=CC(=C1O)C=C2C(=O)NC(=NNC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])S2","ZMHFZXWJFYPVTJ-SXGWCWSVSA-N","135498095",NA,"PDBC46332","659531","Present"
-"NSC659547","","","","","","","","","","","","","","","","","","","","NSC659547","","COC1=CC(=CC(=C1O)OC)C2C3=C(CC4N2C(=O)OC4)C5=C(N3)C=CC(=C5)F","VHFRHIVDBVWKMA-HSLMYDHPSA-N","6712206",NA,"PDBC46333","659547","Present"
-"NSC659613","","","","","","","","","","","","","","","","","","","","NSC659613","","CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)C=C(C(=O)O3)C(=NNC(=O)C(=CC4=CC=C(C=C4)N(CCC#N)CCC#N)C#N)C","TYEUFUBVEZDKAN-YBPSMSGASA-N","9571816",NA,"PDBC46334","659613","Present"
-"NSC659615","","","","","","","","","","","","","","","","","","","","NSC659615","","CC(=NNC(=O)C(=CC1=CC=C(C=C1)N(CCC#N)CCC#N)C#N)C2=CC=CC=C2","HVGZOUQBMXBZMW-LRIPKGCSSA-N","54608607",NA,"PDBC46335","659615","Present"
-"NSC659649","","","","","","","","","","","","","","","","","","","","NSC659649","","CCOC(=O)C1=C(OC(=O)C2(C1(C(=C2)Cl)C)OC)C","JCAXUOBZNYMMRW-STQMWFEESA-N","377973",NA,"PDBC46336","659649","Present"
-"NSC659650","","","","","","","","","","","","","","","","","","","","NSC659650","","CC1=CC(=O)OC2(C1C3(C2(CC3)C(=O)OC)C(=O)OC)C","KAXXEBSDTBYFRI-MOBHLTHFSA-N","377974",NA,"PDBC46337","659650","Present"
-"NSC659732","","","","","","","","","","","","","","","","","","","","NSC659732","","C1CN(C(=S)N1)C=C(C#N)C(=O)C2=CC3=CC=CC=C3C=C2","DOIZNVFBSUQVLL-RVDMUPIBSA-N","3004792",NA,"PDBC46338","659732","Present"
-"NSC659754","","","","","","","","","","","","","","","","","","","","NSC659754","","CC(C)C(=NNC(=O)NN=C(C=CC1=CC=C(C=C1)Cl)C(C)C)C=CC2=CC=C(C=C2)Cl","OGFXKULYNBRQQS-VOCBRJDESA-N","6477427",NA,"PDBC46339","659754","Present"
-"NSC659755","","","","","","","","","","","","","","","","","","","","NSC659755","","CC(C)C(=NNC(=O)NN=C(C=CC1=CC(=C(C=C1)Cl)Cl)C(C)C)C=CC2=CC(=C(C=C2)Cl)Cl","HPEDTLWUJMVBLM-KQXHLETHSA-N","6477428",NA,"PDBC46340","659755","Present"
-"NSC659756","","","","","","","","","","","","","","","","","","","","NSC659756","","CC(C)C(=NNC(=O)NN=C(C=CC1=CC=C(C=C1)OC)C(C)C)C=CC2=CC=C(C=C2)OC","XWIYUBIKBZDADU-QDEGCUTNSA-N","6477429",NA,"PDBC46341","659756","Present"
-"NSC659804","","","","","","","","","","","","","","","","","","","","NSC659804","","CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)S(=O)(=O)O","IWCWQNVIUXZOMJ-IPNZSQQUSA-N","6712212",NA,"PDBC46342","659804","Present"
-"NSC659812","","","","","","","","","","","","","","","","","","","","NSC659812","","CC1=C2CCC(C=CCCCC(=C1)O2)OCOC","LFFNVBCSKXQBKU-GQCTYLIASA-N","5467892",NA,"PDBC46343","659812","Present"
-"NSC659935","","","","","","","","","","","","","","","","","","","","NSC659935","","CCCCCCCCCCCCCCC(=COCC[N+](C)(C)C)OC(=O)C.CCCCCCCCCCCCCC=C(COCC[N+](C)(C)C)OC(=O)C.[I-].[I-]","BIKBGTXRQVTLPX-IQDFFWEYSA-L","5467899",NA,"PDBC46344","659935","Present"
-"NSC659936","","","","","","","","","","","","","","","","","","","","NSC659936","","CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCO)CO)C(=C)C(=O)O2","VWJYWGYJIDQUEG-VDUQZFMSSA-N","50990207",NA,"PDBC46345","659936","Present"
-"NSC659951","","","","","","","","","","","","","","","","","","","","NSC659951","","COC(=O)C1CC2=C(CN1)C(=C(C=C2)O)O.Cl","JIJLIFHNCDKCAY-UHFFFAOYSA-N","378147",NA,"PDBC46346","659951","Present"
-"NSC660019","","","","","","","","","","","","","","","","","","","","NSC660019","","C1=CC=C2C(=C1)N=C(S2)C(=CN3C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])SC3=S)C#N","TWGMZRJSYHTIJB-ZCYUMKDRSA-N","54611321",NA,"PDBC46347","660019","Present"
-"NSC660230","","","","","","","","","","","","","","","","","","","","NSC660230","","COC(=O)C1=CC=C(C=C1)C=C2CCC3=CC=CC=C3C2=O","FHICXGSYUQUFCN-FOWTUZBSSA-N","1550272",NA,"PDBC46348","660230","Present"
-"NSC660234","","","","","","","","","","","","","","","","","","","","NSC660234","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(=O)NCC(=O)O)N","LYQGRZZILQKUDK-UHFFFAOYSA-N","378278",NA,"PDBC46349","660234","Present"
-"NSC660329","","","","","","","","","","","","","","","","","","","","NSC660329","","C1=CC=C(C=C1)[P+](CC2=CC=C(S2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-]","SVSBOLLSYJFHAO-UHFFFAOYSA-M","378318",NA,"PDBC46350","660329","Present"
-"NSC660419","","","","","","","","","","","","","","","","","","","","NSC660419","","C(CSCCSCCC(=NO)N)C(=NO)N","HRNOMMNPXNLFLA-UHFFFAOYSA-N","5467946",NA,"PDBC46351","660419","Present"
-"NSC660428","","","","","","","","","","","","","","","","","","","","NSC660428","","CCOC(=O)CN=C1C2=CC=CC=C2S(=O)(=O)NN1","HBPVFKPPLBPYFF-UHFFFAOYSA-N","135409153",NA,"PDBC46352","660428","Present"
-"NSC660646","","","","","","","","","","","","","","","","","","","","NSC660646","","CCOC(=O)C1=C(C(=C2N1C=CC=C2)C3=NC(=NC(=N3)F)OC4=CC5=C(C=C4)C6CCC7(C(C6CC5)CCC7(C#C)O)C)C","PHILXGCQEOAJPP-QLAMDKNKSA-N","378364",NA,"PDBC46353","660646","Present"
-"NSC660647","","","","","","","","","","","","","","","","","","","","NSC660647","","CN(C)C1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=O)O2)Br.Br","DXGFDBASGAECGO-GEEYTBSJSA-N","6518044",NA,"PDBC46354","660647","Present"
-"NSC660678","","","","","","","","","","","","","","","","","","","","NSC660678","","CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-RGWLBATNSA-N","378379",NA,"PDBC46355","660678","Present"
-"NSC660679","","","","","","","","","","","","","","","","","","","","NSC660679","","CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-LNHMHFCSSA-N","378380",NA,"PDBC46356","660679","Present"
-"NSC660680","","","","","","","","","","","","","","","","","","","","NSC660680","","CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-VRKREXBASA-N","378381",NA,"PDBC46357","660680","Present"
-"NSC660681","","","","","","","","","","","","","","","","","","","","NSC660681","","CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-JNPCOIHVSA-N","378382",NA,"PDBC46358","660681","Present"
-"NSC660682","","","","","","","","","","","","","","","","","","","","NSC660682","","CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-FQSHHYAASA-N","378383",NA,"PDBC46359","660682","Present"
-"NSC660683","","","","","","","","","","","","","","","","","","","","NSC660683","","CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-BCZYQMQZSA-N","378384",NA,"PDBC46360","660683","Present"
-"NSC660684","","","","","","","","","","","","","","","","","","","","NSC660684","","CC(=O)C12CC(C1C=CC3=CC=CC=C23)(C#N)N4CCCCCC4","WBPSNDAFOQNRDN-NYLDSWQDSA-N","6712221",NA,"PDBC46361","660684","Present"
-"NSC660819","","","","","","","","","","","","","","","","","","","","NSC660819","","CC(C)C1=CC23CCC4C(C2CC1CC3=O)(CCCC4(C)C(=O)OC)C","UHJVGDFZCWFEKB-QWLCNCAFSA-N","6712222",NA,"PDBC46362","660819","Present"
-"NSC660821","","","","","","","","","","","","","","","","","","","","NSC660821","","CC(C)C1=CC23CCC4C(C2CC1CC3(C#N)Cl)(CCCC4(C)C(=O)OC)C","XIKQGVFXBDQCPL-VFRPFMERSA-N","6712223",NA,"PDBC46363","660821","Present"
-"NSC660833","","","","","","","","","","","","","","","","","","","","NSC660833","","CC1(C(C1C2=C(C3(C(C2)CCC3OC(=O)C4=CC=CC=C4)C)N5CCOCC5)C#N)C","DYKSYXPSOORRKF-DKGPXOCYSA-N","378414",NA,"PDBC46364","660833","Present"
-"NSC660842","","","","","","","","","","","","","","","","","","","","NSC660842","","C1=CC=C(C=C1)CC(=O)N[N+]2=CN(N=C2)CC(=O)O.[Br-]","NPMGWKVPHCSERX-UHFFFAOYSA-N","24202448",NA,"PDBC46365","660842","Present"
-"NSC660853","","","","","","","","","","","","","","","","","","","","NSC660853","","CN(C(=O)C(=NOC)C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=NN=C5","ZKOUAHFQPFLHFW-IVQJCJPDSA-N","5465772",NA,"PDBC46366","660853","Present"
-"NSC660969","","","","","","","","","","","","","","","","","","","","NSC660969","","CC=CC(C(=O)OC)N1C(C2=CC=CC=C2C1=O)O","MGNGPOJVSYDLDW-CXILLOQGSA-N","5467959",NA,"PDBC46367","660969","Present"
-"NSC660970","","","","","","","","","","","","","","","","","","","","NSC660970","","CC(=C)C(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O","HFRCGCXKKFUADN-NSHDSACASA-N","378438",NA,"PDBC46368","660970","Present"
-"NSC661005","","","","","","","","","","","","","","","","","","","","NSC661005","","","","",NA,"PDBC46369","661005","Present"
-"NSC661067","","","","","","","","","","","","","","","","","","","","NSC661067","","CN(C)CCCN=C1C2=CC=CC=C2N(C3=CC=CC=C31)O.Cl.[Cl-]","VFXXZBPIQWYLOE-UHFFFAOYSA-M","54608177",NA,"PDBC46370","661067","Present"
-"NSC661071","","","","","","","","","","","","","","","","","","","","NSC661071","","CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=NNC(=N2)N.[Na+]","UJCYREMGJRISCD-UHFFFAOYSA-N","54602048",NA,"PDBC46371","661071","Present"
-"NSC661107","","","","","","","","","","","","","","","","","","","","NSC661107","","CC(C)CN1C=NN=C1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NN)Cl)S","TVZFXCPCPLNCHC-UHFFFAOYSA-N","378507",NA,"PDBC46372","661107","Present"
-"NSC661108","","","","","","","","","","","","","","","","","","","","NSC661108","","CN(C)C1=NC(=NCC2=CC=CC=C2)SS1.Br","STOZLSZOPMMDAY-UHFFFAOYSA-N","378508",NA,"PDBC46373","661108","Present"
-"NSC661109","","","","","","","","","","","","","","","","","","","","NSC661109","","CN(C)C1=NC(=NCC2=CC=CC=N2)SS1.Br","DNQFYZSQYXDJRW-UHFFFAOYSA-N","378510",NA,"PDBC46374","661109","Present"
-"NSC661110","","","","","","","","","","","","","","","","","","","","NSC661110","","CN(C)C1=NC(=NCC2=CC=CS2)SS1.Br","BQUMDURJWIQSOG-UHFFFAOYSA-N","378512",NA,"PDBC46375","661110","Present"
-"NSC661111","","","","","","","","","","","","","","","","","","","","NSC661111","","CN(C)C1=NC(=NCC2=CN=CC=C2)SS1.Br","BLTRZIQSYMBMDH-UHFFFAOYSA-N","378514",NA,"PDBC46376","661111","Present"
-"NSC661112","","","","","","","","","","","","","","","","","","","","NSC661112","","CN(C)C1=NC(=NCC2=CC=NC=C2)SS1.Br","PJZIIIJLXURFNF-UHFFFAOYSA-N","378516",NA,"PDBC46377","661112","Present"
-"NSC661113","","","","","","","","","","","","","","","","","","","","NSC661113","","CN(C)C1=NC(=NCC2=CC(=C(C(=C2)OC)OC)OC)SS1.Br","CDSJWQZOOCJRPA-UHFFFAOYSA-N","378518",NA,"PDBC46378","661113","Present"
-"NSC661192","","","","","","","","","","","","","","","","","","","","NSC661192","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC(=N)N)OC.Cl","ZNJUMMAQFGZTNY-SZKNIZGXSA-N","5467967",NA,"PDBC46379","661192","Present"
-"NSC661210","","","","","","","","","","","","","","","","","","","","NSC661210","","C1C(C(C(OC1C2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","PWGCIYZSXZNVPZ-YOIJXYMPSA-N","378570",NA,"PDBC46380","661210","Present"
-"NSC661211","","","","","","","","","","","","","","","","","","","","NSC661211","","CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=CC=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6","PZJBNNYOUSAXQC-XJUCERLSSA-N","378571",NA,"PDBC46381","661211","Present"
-"NSC661212","","","","","","","","","","","","","","","","","","","","NSC661212","","CC1C(C(C=C(O1)C2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","ZMOQRVMCRJKIHI-GMLZKYASSA-N","378572",NA,"PDBC46382","661212","Present"
-"NSC661213","","","","","","","","","","","","","","","","","","","","NSC661213","","C1=CC=C(C=C1)COCC2C(C(C=C(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","HIGGIZGZNWCSID-NWBPNMJXSA-N","378573",NA,"PDBC46383","661213","Present"
-"NSC661254","","","","","","","","","","","","","","","","","","","","NSC661254","","","","",NA,"PDBC46384","661254","Present"
-"NSC661428","","","","","","","","","","","","","","","","","","","","NSC661428","","CC(=O)OCC12CCC3C4(CCCC(C4CCC3(C1CC(O2)C5=CC(=O)OC5O)C)(C)C)C","VSNRQJCSNGQROZ-APZDHCIUSA-N","378635",NA,"PDBC46385","661428","Present"
-"NSC661438","","","","","","","","","","","","","","","","","","","","NSC661438","","C1CC2=CC=CC=C2CC1=NNC(=O)NN=C3CCC4=CC=CC=C4C3","PQJQIEQYWXYVAC-WDAKLKSISA-N","9571824",NA,"PDBC46386","661438","Present"
-"NSC661445","","","","","","","","","","","","","","","","","","","","NSC661445","","CC1=CC=C(C=C1)C=CC(=NNC(=O)NN=C(C=CC2=CC=C(C=C2)C)C(C)C)C(C)C","KNNOUVKDRPRHOJ-CEIQDMHBSA-N","6477436",NA,"PDBC46387","661445","Present"
-"NSC661446","","","","","","","","","","","","","","","","","","","","NSC661446","","CC(C)(CN1CCCCC1)C(=NNC(=O)NN=C(C=CC2=CC(=C(C=C2)Cl)Cl)C(C)(C)CN3CCCCC3)C=CC4=CC(=C(C=C4)Cl)Cl.Cl","WERMCEMHENTLKG-HIXVOCSMSA-N","9571825",NA,"PDBC46388","661446","Present"
-"NSC661447","","","","","","","","","","","","","","","","","","","","NSC661447","","CC1=CC=C(C=C1)C=CC(=NNC(=O)NN=C(C=CC2=CC=C(C=C2)C)C(C)(C)CN3CCCCC3)C(C)(C)CN4CCCCC4.Cl","PWCRDRXQBDSFNB-XCZADHCKSA-N","9571826",NA,"PDBC46389","661447","Present"
-"NSC661448","","","","","","","","","","","","","","","","","","","","NSC661448","","CC(C)(CN1CCCCC1)C(=NNC(=O)NN=C(C=CC2=CC=C(C=C2)OC)C(C)(C)CN3CCCCC3)C=CC4=CC=C(C=C4)OC.Cl","MZMXDBGVORYNBI-MUGMOYCWSA-N","9571827",NA,"PDBC46390","661448","Present"
-"NSC661464","","","","","","","","","","","","","","","","","","","","NSC661464","","CC(C(=NO)C1=CC=CO1)NO.CC(=O)O","NKUBGOTYOXUHOI-VILQZVERSA-N","9571828",NA,"PDBC46391","661464","Present"
-"NSC661580","","","","","","","","","","","","","","","","","","","","NSC661580","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)OC(=O)CN)OC.Cl","UFSJDEXOGNZPSC-MOUWKAAGSA-N","5467999",NA,"PDBC46392","661580","Present"
-"NSC661820","","","","","","","","","","","","","","","","","","","","NSC661820","","CCN(CC)CCN1C2=C(C3=C(C=C2)C=NN3CCN(CC)CC)C(=O)C4=C1N=CC=C4.Cl","LZPUNZDLUTWNML-UHFFFAOYSA-N","378715",NA,"PDBC46393","661820","Present"
-"NSC661821","","","","","","","","","","","","","","","","","","","","NSC661821","","CCN(CC)CCN1C2=CC3=C(C=C2C(=O)C4=C1N=CC=C4)OCO3.Cl","XUOMSPBUMLEWRJ-UHFFFAOYSA-N","378717",NA,"PDBC46394","661821","Present"
-"NSC661822","","","","","","","","","","","","","","","","","","","","NSC661822","","CCN(CC)CCN1C2=CC3=C(C=C2C(=O)C4=C1N=CC=C4)OCCO3.Cl","ABNGYDJLTJGQLK-UHFFFAOYSA-N","378719",NA,"PDBC46395","661822","Present"
-"NSC661829","","","","","","","","","","","","","","","","","","","","NSC661829","","CN(C)C=C(C(=O)C1=CC=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4","AUNHDDKRLIDOBH-NCELDCMTSA-N","15155823",NA,"PDBC46396","661829","Present"
-"NSC661831","","","","","","","","","","","","","","","","","","","","NSC661831","","CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC2(CC1)C3=CC(=C(C=C3CC(O2)C(=O)OC)O)O","AVYAXVISHKWSGM-UQKRIMTDSA-N","378729",NA,"PDBC46397","661831","Present"
-"NSC661834","","","","","","","","","","","","","","","","","","","","NSC661834","","CC(C1=CC=CC=C1)N2CN(C(C2=O)CO)C(=O)OCC3=CC=CC=C3","FPBXZYZWVPTLNA-BUSXIPJBSA-N","378734",NA,"PDBC46398","661834","Present"
-"NSC661835","","","","","","","","","","","","","","","","","","","","NSC661835","","CC(C1=CC=CC=C1)N2CN(C(CC2=O)(C)C)C(=O)OCC3=CC=CC=C3","DSSTVSKHEDQUCZ-KRWDZBQOSA-N","378735",NA,"PDBC46399","661835","Present"
-"NSC661958","","","","","","","","","","","","","","","","","","","","NSC661958","","C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=CC4=CC5=C(C=C4)OCO5)C(=O)N3","CDEAAFXXXDBRBZ-ACFHMISVSA-N","5340006",NA,"PDBC46400","661958","Present"
-"NSC661965","","","","","","","","","","","","","","","","","","","","NSC661965","","CCOC(=O)C12CC(C13C4=CC(=C(C=C4CCN3C(=O)C2O)OC)OC)(C=C)O[Si](C)(C)C","SRUOJTLHSHQXHT-RXUSZAQGSA-N","6712236",NA,"PDBC46401","661965","Present"
-"NSC661966","","","","","","","","","","","","","","","","","","","","NSC661966","","CCOC(=O)C12CC(C13C4=CC(=C(C=C4CCN3C(=O)C2=O)OC)OC)(C=COC)O[Si](C)(C)C","GRRFWAVLOBBWBM-BQFPIMMCSA-N","11970069",NA,"PDBC46402","661966","Present"
-"NSC661967","","","","","","","","","","","","","","","","","","","","NSC661967","","CCOC(=O)C12CC(C13C4=CC(=C(C=C4CCN3C(=O)C2O)OC)OC)(C=COC)O[Si](C)(C)C","PHUOHFFITWDRJU-ZZLBPTMPSA-N","11970070",NA,"PDBC46403","661967","Present"
-"NSC661968","","","","","","","","","","","","","","","","","","","","NSC661968","","C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCC(=O)NC(CSC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)NCC(=O)O)C(=O)O.[Na+]","KZKYCSAPBXCBCI-UHFFFAOYSA-N","54611737",NA,"PDBC46404","661968","Present"
-"NSC662121","","","","","","","","","","","","","","","","","","","","NSC662121","","C1(C(C(=O)C2=C(SC(=C21)Cl)Cl)O)N.Cl","UAEVWKZFGMXUFE-UHFFFAOYSA-N","378801",NA,"PDBC46405","662121","Present"
-"NSC662125","","","","","","","","","","","","","","","","","","","","NSC662125","","C1CCN(C1)C2=C3C(=C(S2)Br)C(C(C3=O)O)N.Cl","IKWBHSPXGHHCAH-UHFFFAOYSA-N","378806",NA,"PDBC46406","662125","Present"
-"NSC662151","","","","","","","","","","","","","","","","","","","","NSC662151","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)N)C)N=O","ZNAJKVUCFKJSMJ-UHFFFAOYSA-N","378833",NA,"PDBC46407","662151","Present"
-"NSC662154","","","","","","","","","","","","","","","","","","","","NSC662154","","CC(C(=O)O)NC1=NC(=C(C(=O)N1C)N=O)N.[K+]","XYEVYFGGMPCSTC-DFWYDOINSA-N","54602106",NA,"PDBC46408","662154","Present"
-"NSC662254","","","","","","","","","","","","","","","","","","","","NSC662254","","","","",NA,"PDBC46409","662254","Present"
-"NSC662255","","","","","","","","","","","","","","","","","","","","NSC662255","","","","",NA,"PDBC46410","662255","Present"
-"NSC662256","","","","","","","","","","","","","","","","","","","","NSC662256","","","","",NA,"PDBC46411","662256","Present"
-"NSC662257","","","","","","","","","","","","","","","","","","","","NSC662257","","","","",NA,"PDBC46412","662257","Present"
-"NSC662258","","","","","","","","","","","","","","","","","","","","NSC662258","","","","",NA,"PDBC46413","662258","Present"
-"NSC662259","","","","","","","","","","","","","","","","","","","","NSC662259","","","","",NA,"PDBC46414","662259","Present"
-"NSC662431","","","","","","","","","","","","","","","","","","","","NSC662431","","CC(=CC1=CC=CC=C1)C=C(C#N)C(=O)N","OWRPWVGVNQKDTI-SMTGYRLFSA-N","5468017",NA,"PDBC46415","662431","Present"
-"NSC662432","","","","","","","","","","","","","","","","","","","","NSC662432","","C1=COC(=C1)C=CC=C(C#N)C(=O)N","WGDXRTUQAVLUTM-CBZARTANSA-N","6374857",NA,"PDBC46416","662432","Present"
-"NSC662435","","","","","","","","","","","","","","","","","","","","NSC662435","","CC1=CC=C(C=C1)C(=CC(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)SC5=CC=CC=C5","RNUBPBPAMLOMDU-AFUMVMLFSA-N","50990122",NA,"PDBC46417","662435","Present"
-"NSC662447","","","","","","","","","","","","","","","","","","","","NSC662447","","CC1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3SC2=NCS(=O)(=O)C4=CC=C(C=C4)C)O","SJQCUJKDLRVGRU-GTZNUUOLSA-N","135509148",NA,"PDBC46418","662447","Present"
-"NSC662826","","","","","","","","","","","","","","","","","","","","NSC662826","","CC(C)CC(=O)CC(C)C1(C2CCCC23CC4(CCN3C1=O)OCCO4)CCCOCC5=CC=CC=C5","VSBKPDQDVBOUFO-HQLRRCMFSA-N","6712249",NA,"PDBC46419","662826","Present"
-"NSC663245","","","","","","","","","","","","","","","","","","","","NSC663245","","COC(=O)C=C(C(=O)OC)SC=C(C1=CC=CC=C1)N2CCN3C2=C(C(=C3C(=O)C4=CC=CC=C4)C(=O)OC)C(=O)OC","WQYHLUMMWFVIAJ-XGBWRMQCSA-N","5468047",NA,"PDBC46420","663245","Present"
-"NSC663246","","","","","","","","","","","","","","","","","","","","NSC663246","","C1CN(C2=C(C(=C(N21)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=CSC(=CC(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)C8=CC=CC=C8","QMKVBAZPHZSXQV-GMROEKFNSA-N","5468048",NA,"PDBC46421","663246","Present"
-"NSC663247","","","","","","","","","","","","","","","","","","","","NSC663247","","CC1C2C(=O)NC(C3=NC(C(O3)C)C(=O)NC(C4=NC(C(O4)C)C(=O)NC(C5=NC(C(O5)C)C(=O)NC(C(=N2)O1)C(C)C)C(C)C)C(C)C)C(C)C","ZMDHMHAXKZMQOZ-JCLGROOQSA-N","379072",NA,"PDBC46422","663247","Present"
-"NSC663312","","","","","","","","","","","","","","","","","","","","NSC663312","","C1=CC=C2C(=C1)C(OC2=O)C(C3=CN=CC=C3)O","BRJQGOZCCGYHKL-PZORYLMUSA-N","379099",NA,"PDBC46423","663312","Present"
-"NSC663404","","","","","","","","","","","","","","","","","","","","NSC663404","","","","",NA,"PDBC46424","663404","Present"
-"NSC663405","","","","","","","","","","","","","","","","","","","","NSC663405","","","","",NA,"PDBC46425","663405","Present"
-"NSC663406","","","","","","","","","","","","","","","","","","","","NSC663406","","","","",NA,"PDBC46426","663406","Present"
-"NSC663409","","","","","","","","","","","","","","","","","","","","NSC663409","","COC1=C(C=C2C(=C1)CCC(=CC3=CC=C(C=C3)Cl)C2=O)OC","ROWSXJQYCFVLOY-NTEUORMPSA-N","5468058",NA,"PDBC46427","663409","Present"
-"NSC663410","","","","","","","","","","","","","","","","","","","","NSC663410","","COC1=C(C=C2C(=C1)CCC(=CC3=CC=C(C=C3)O)C2=O)OC","WYIOQJSFVUARED-NTEUORMPSA-N","5468059",NA,"PDBC46428","663410","Present"
-"NSC663411","","","","","","","","","","","","","","","","","","","","NSC663411","","COC1=CC=C(C=C1)C=C2CCC3=CC(=C(C=C3C2=O)OC)OC","DTZFIRFWUCAVSH-XNTDXEJSSA-N","5468060",NA,"PDBC46429","663411","Present"
-"NSC663412","","","","","","","","","","","","","","","","","","","","NSC663412","","COC1=C(C=C2C(=C1)CCC(=CC3=CC=C(C=C3)[N+](=O)[O-])C2=O)OC","MUOGNEATFIWRKB-NTEUORMPSA-N","5468061",NA,"PDBC46430","663412","Present"
-"NSC663413","","","","","","","","","","","","","","","","","","","","NSC663413","","CN(C)C1=CC=C(C=C1)C=C2CCC3=CC(=C(C=C3C2=O)OC)OC","QMCSVXFJCZVAJB-LFIBNONCSA-N","5468062",NA,"PDBC46431","663413","Present"
-"NSC663547","","","","","","","","","","","","","","","","","","","","NSC663547","","CC(=C1CCOC1=O)NC2=CC(=CC=C2)OC","YDJSYIKTEDQCHR-XFXZXTDPSA-N","5468063",NA,"PDBC46432","663547","Present"
-"NSC663615","","","","","","","","","","","","","","","","","","","","NSC663615","","C[N+](C)(C1=C(C(=C(C(=N1)N)C#N)C#N)C#N)N.[Cl-]","CZKKVAFFOJXZHD-UHFFFAOYSA-M","379203",NA,"PDBC46433","663615","Present"
-"NSC663634","","","","","","","","","","","","","","","","","","","","NSC663634","","C1COC(=N1)NCCC2=CC=CC3=CC=CC=C32.Br","YQAOMIODAQUJDD-UHFFFAOYSA-N","379217",NA,"PDBC46434","663634","Present"
-"NSC663636","","","","","","","","","","","","","","","","","","","","NSC663636","","CC(C)(CCCCC(C)(C)NC1=NCCO1)NC2=NCCO2.Br","ODHIEBFMIPMWHN-UHFFFAOYSA-N","379220",NA,"PDBC46435","663636","Present"
-"NSC663642","","","","","","","","","","","","","","","","","","","","NSC663642","","CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC(=C(C=C3)OC)OC.Cl","RXZNAJADEIPVSV-UHFFFAOYSA-N","379227",NA,"PDBC46436","663642","Present"
-"NSC663662","","","","","","","","","","","","","","","","","","","","NSC663662","","CC1=C2C(C3C(C1)C(=O)OC3=O)N(C4=CC=CC=C42)C(=O)C=CC(=O)O","FJSQBCXGDFKBPB-HNYGSPFISA-N","54604779",NA,"PDBC46437","663662","Present"
-"NSC663669","","","","","","","","","","","","","","","","","","","","NSC663669","","COC1=CC2=C(C=C1)OC(C(C2=O)(NC3=CC=C(C=C3)C=O)OC)(C4=CC=C(C=C4)[N+](=O)[O-])OC","JODSMLPBXCWQCF-JWQCQUIFSA-N","6712256",NA,"PDBC46438","663669","Present"
-"NSC663670","","","","","","","","","","","","","","","","","","","","NSC663670","","COC1(C(C(=O)C2=CC=CC=C2O1)(NC3=CC=C(C=C3)C=O)OC)C4=CC=C(C=C4)[N+](=O)[O-]","IVWSZDFBKRCIFR-DNQXCXABSA-N","6712257",NA,"PDBC46439","663670","Present"
-"NSC663793","","","","","","","","","","","","","","","","","","","","NSC663793","","CCN1C(=O)CSC1=NNC(=O)C(C2CC=CC=C2)(C3=CC=CC=C3)O","AFIORSMYUUEYRN-DYTRJAOYSA-N","5465830",NA,"PDBC46440","663793","Present"
-"NSC663794","","","","","","","","","","","","","","","","","","","","NSC663794","","C=CCN1C(=O)CSC1=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O","QEIRGPFASQRMME-ZBJSNUHESA-N","5465831",NA,"PDBC46441","663794","Present"
-"NSC663855","","","","","","","","","","","","","","","","","","","","NSC663855","","C1CCC(CC1)C(C2CCCCC2)C(=O)NCCCCCN3CCC4(CCCCC4)CC3.Cl","SZLXLBDYPSWFSO-UHFFFAOYSA-N","379298",NA,"PDBC46442","663855","Present"
-"NSC663882","","","","","","","","","","","","","","","","","","","","NSC663882","","C1=CC=C(C=C1)CP(=O)(O)OCC(C(C(C(C=O)O)O)O)O.N","ASCGVYIMJZKOIT-UHFFFAOYSA-N","379336",NA,"PDBC46443","663882","Present"
-"NSC663918","","","","","","","","","","","","","","","","","","","","NSC663918","","CC1(C(=NC(N1O)(C)C)C(=[N+](C(=O)C2=CC=C(C=C2)F)[O-])Cl)C","YYYYOPNGIQTWFK-UNOMPAQXSA-N","54611334",NA,"PDBC46444","663918","Present"
-"NSC663923","","","","","","","","","","","","","","","","","","","","NSC663923","","CC(C)(C(=NO)C1=CC=CO1)NO","IEDNMVLLYRUTFY-CLFYSBASSA-N","5465833",NA,"PDBC46445","663923","Present"
-"NSC663924","","","","","","","","","","","","","","","","","","","","NSC663924","","CC(=O)O.C1CCC(C(=NO)CC1)NO","NLYYRIWAFIMBPT-VILQZVERSA-N","5480837",NA,"PDBC46446","663924","Present"
-"NSC663927","","","","","","","","","","","","","","","","","","","","NSC663927","","CCC(=NNC(=S)N)C(=NO)C","NBERQTINSJRNGR-TVXUUACXSA-N","135509156",NA,"PDBC46447","663927","Present"
-"NSC663938","","","","","","","","","","","","","","","","","","","","NSC663938","","CC1(C(=NC(N1O)(C)C)C(=[N+](C(=O)C2=CC=CC=C2)[O-])C#N)C","PWMCYOFPYIWFFO-XDHOZWIPSA-N","5468090",NA,"PDBC46448","663938","Present"
-"NSC663939","","","","","","","","","","","","","","","","","","","","NSC663939","","CC1(C(=NC(N1O)(C)C)C(=[N+](C(=O)C2=CC=C(C=C2)Cl)[O-])Cl)C","TWGZYKHEQAMYIM-UNOMPAQXSA-N","5468091",NA,"PDBC46449","663939","Present"
-"NSC663948","","","","","","","","","","","","","","","","","","","","NSC663948","","C1CC(=NO)C(=NNC2=CC=CC=C2)C3=NON=C31","GFLIUWMYRGYJFD-UFRGALIOSA-N","135400549",NA,"PDBC46450","663948","Present"
-"NSC663949","","","","","","","","","","","","","","","","","","","","NSC663949","","C1CC(=NO)C(=NN)C2=NON=C21","DDOGFELTDZPGFS-NITIKTIDSA-N","135509158",NA,"PDBC46451","663949","Present"
-"NSC663959","","","","","","","","","","","","","","","","","","","","NSC663959","","C1CC(=NN)C2=NO[N+](=C2C1)[O-]","ABMNJJVCQWLTHR-XBXARRHUSA-N","5409526",NA,"PDBC46452","663959","Present"
-"NSC663962","","","","","","","","","","","","","","","","","","","","NSC663962","","C1CC2=NO[N+](=C2C(=NO)C1)[O-]","UKOVCVQBLSFKFX-QPJJXVBHSA-N","135509159",NA,"PDBC46453","663962","Present"
-"NSC663964","","","","","","","","","","","","","","","","","","","","NSC663964","","C1CC2=[N+](ON=C2C(=NNC3=CC=CC=C3)C1=NO)[O-]","YFXLAGXFGCCWIV-UFRGALIOSA-N","135509160",NA,"PDBC46454","663964","Present"
-"NSC663968","","","","","","","","","","","","","","","","","","","","NSC663968","","CC(=O)ON=C1C=CC2=[N+](ON=C2C1=O)[O-]","NFZSJXTYTCVSEP-WEVVVXLNSA-N","5465834",NA,"PDBC46455","663968","Present"
-"NSC664011","","","","","","","","","","","","","","","","","","","","NSC664011","","CC(=O)N1C(=O)N(C(=O)C12CCN3CCC4=CC(=C(C=C4C3C2)OC)OC)C5=CC=CC=C5","JAYCKXDLLPVWKA-GBAXHLBXSA-N","6712258",NA,"PDBC46456","664011","Present"
-"NSC664016","","","","","","","","","","","","","","","","","","","","NSC664016","","CCOC(=O)C1=C(C(C(=CC2=CC=CC3=C2N=CC=C3)C1=O)C(=O)OC)C","ZTPYJOXNVLBGPP-PTNGSMBKSA-N","6143849",NA,"PDBC46457","664016","Present"
-"NSC664159","","","","","","","","","","","","","","","","","","","","NSC664159","","CC=C(C)C(=O)OC1CC(CC2C1(CCC3(C2=CCC4C3(CCC5C46CCC(C5(C)C)(OC6)O)C)C)C(=O)O)(C)C","RSKOPEQHBSFOLQ-QGLZAHMOSA-N","11970077",NA,"PDBC46458","664159","Present"
-"NSC664160","","","","","","","","","","","","","","","","","","","","NSC664160","","CC(=CC(=O)OC1CC(CC2C1(CCC3(C2=CCC4C3(CCC5C46CCC(C5(C)C)(OC6)O)C)C)C(=O)O)(C)C)C","HGMVESCHSMFWDD-XKTKIDCUSA-N","6712261",NA,"PDBC46459","664160","Present"
-"NSC664162","","","","","","","","","","","","","","","","","","","","NSC664162","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C=C1)C=NN=C(N)NO)O","DTFIKDFEHWKRPZ-HMXKFKBXSA-N","135509161",NA,"PDBC46460","664162","Present"
-"NSC664163","","","","","","","","","","","","","","","","","","","","NSC664163","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C(=C1)OC)C=NN=C(N)NO)O","RDUDGZXGDVGELN-NKPNRJPBSA-N","135435106",NA,"PDBC46461","664163","Present"
-"NSC664164","","","","","","","","","","","","","","","","","","","","NSC664164","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1C=NN=C(N)NO)O)I)I","GQWSHSQTFHPRAK-QXKVDVGOSA-N","135509162",NA,"PDBC46462","664164","Present"
-"NSC664165","","","","","","","","","","","","","","","","","","","","NSC664165","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C1C(F)(F)F)NC=C(C2=O)C=NN=C(N)NO","RZMMPYNVGUKMJA-RZFZGDDESA-N","135509163",NA,"PDBC46463","664165","Present"
-"NSC664178","","","","","","","","","","","","","","","","","","","","NSC664178","","C1CC2CCC1CN(C2)CCN=C(N)N.OS(=O)(=O)O","CEJODLMONKNFGF-UHFFFAOYSA-N","379520",NA,"PDBC46464","664178","Present"
-"NSC664180","","","","","","","","","","","","","","","","","","","","NSC664180","","CCNC1=CC2=C3C(=C1)CCCN3CCC2.Cl","LCQCJMXOSFUHAR-UHFFFAOYSA-N","379522",NA,"PDBC46465","664180","Present"
-"NSC664194","","","","","","","","","","","","","","","","","","","","NSC664194","","CC(=O)C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC.Cl","RKDBZYYAOAKHRH-GJGIAIRRSA-N","11970078",NA,"PDBC46466","664194","Present"
-"NSC664289","","","","","","","","","","","","","","","","","","","","NSC664289","","CC(=O)C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC","DGSADVAMZWFCMP-VDGPIWNASA-N","379595",NA,"PDBC46467","664289","Present"
-"NSC664294","","","","","","","","","","","","","","","","","","","","NSC664294","","CC(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC)O","MKWFKXIKUBABHP-BREPIIRTSA-N","379599",NA,"PDBC46468","664294","Present"
-"NSC664298","","","","","","","","","","","","","","","","","","","","NSC664298","","CC(CC1=CC=CC=C1)NC2=NCCO2","NCVYXOYOFVEKCJ-UHFFFAOYSA-N","294280",NA,"PDBC46469","664298","Present"
-"NSC664329","","","","","","","","","","","","","","","","","","","","NSC664329","","C1=CC(=CC(=C1)Cl)C(=NO)CC(C(F)(F)F)(C(F)(F)F)O","GVPYPKOPSXHWPD-UFWORHAWSA-N","5351423",NA,"PDBC46470","664329","Present"
-"NSC664405","","","","","","","","","","","","","","","","","","","","NSC664405","","C1CN2C(C(C(O2)(F)F)C3=CC=CC=C3)C4=CC=CC=C41","PKNIFHJWRPTHIT-AAFJCEBUSA-N","6712272",NA,"PDBC46471","664405","Present"
-"NSC664406","","","","","","","","","","","","","","","","","","","","NSC664406","","C1CN2C(C(C2=O)C3=CC=CC=C3)C4=CC=CC=C41","YVSATFZLGPYTDN-AAFJCEBUSA-N","6712273",NA,"PDBC46472","664406","Present"
-"NSC664535","","","","","","","","","","","","","","","","","","","","NSC664535","","C1CCC2=C(C1)C=CC(=C2)N=C3N(CCO3)CCCl.Cl","ILACPISGZQVGBJ-UHFFFAOYSA-N","379656",NA,"PDBC46473","664535","Present"
-"NSC664542","","","","","","","","","","","","","","","","","","","","NSC664542","","C(C(=CCl)Cl)SC#N.C(C(=CCl)Cl)SC#N","URUYSWJJQBZLBY-RBKZGRRVSA-N","5468114",NA,"PDBC46474","664542","Present"
-"NSC664552","","","","","","","","","","","","","","","","","","","","NSC664552","","CN(C)C=C1CCC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]","KNKORHOLTZAGFJ-CSKARUKUSA-N","3033794",NA,"PDBC46475","664552","Present"
-"NSC664556","","","","","","","","","","","","","","","","","","","","NSC664556","","CC1=CC=C(C=C1)S(=O)(=O)O.C1OC2=C(O1)C=C(C=C2)C=NN=C(N)NO","PJZAZUXDFXNADM-SODSUQDMSA-N","9571849",NA,"PDBC46476","664556","Present"
-"NSC664557","","","","","","","","","","","","","","","","","","","","NSC664557","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=CC(=C1OC)OC)C=NN=C(N)NO","BXLZZGISWXMRLG-AWFSDRIXSA-N","9571851",NA,"PDBC46477","664557","Present"
-"NSC664558","","","","","","","","","","","","","","","","","","","","NSC664558","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)C=NN=C(N)NO)OC)OC","DIQNFHFNEDFOKS-AWFSDRIXSA-N","9571853",NA,"PDBC46478","664558","Present"
-"NSC664559","","","","","","","","","","","","","","","","","","","","NSC664559","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C(=C1)OC)C=NN=C(N)NO)OC","XKCYXAAFDWLLLF-AWFSDRIXSA-N","9571855",NA,"PDBC46479","664559","Present"
-"NSC664560","","","","","","","","","","","","","","","","","","","","NSC664560","","CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C=C1C=NN=C(N)NO)OC)OC","BAPVECGMHOPHDR-AWFSDRIXSA-N","9571857",NA,"PDBC46480","664560","Present"
-"NSC664576","","","","","","","","","","","","","","","","","","","","NSC664576","","CC1(CC2C(N1C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C(=O)OC","LHLBHWPRGUKPKV-IAYYMHMVSA-N","6712279",NA,"PDBC46481","664576","Present"
-"NSC664688","","","","","","","","","","","","","","","","","","","","NSC664688","","C1=CC=C(C=C1)C(=C2C=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C=O","XSQHXGFTMYMKMT-BMRADRMJSA-N","5468129",NA,"PDBC46482","664688","Present"
-"NSC664691","","","","","","","","","","","","","","","","","","","","NSC664691","","CN(C)C1COC2CC3=CC=CC=C3C1O2.Cl","ZFRRJGBAOASYCD-UHFFFAOYSA-N","379716",NA,"PDBC46483","664691","Present"
-"NSC664697","","","","","","","","","","","","","","","","","","","","NSC664697","","C1CN=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC(=O)N.Br","AOFWHQZSPNPRGZ-UHFFFAOYSA-N","379721",NA,"PDBC46484","664697","Present"
-"NSC664699","","","","","","","","","","","","","","","","","","","","NSC664699","","C1CNC(N(C1=O)CCC2=CNC3=CC=CC=C32)N.Br","HSWDVCKYMAJVRS-UHFFFAOYSA-N","379724",NA,"PDBC46485","664699","Present"
-"NSC664703","","","","","","","","","","","","","","","","","","","","NSC664703","","CC1OCC(C(O1)C2C(N=C(O2)C3=CC=CC=C3)CO)O","LSNBAJZNCWDXGF-DHEYHYBUSA-N","379729",NA,"PDBC46486","664703","Present"
-"NSC664867","","","","","","","","","","","","","","","","","","","","NSC664867","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC(=O)NC(=O)C=CC3=CC=CC=C3","MAOPWWYONTVTMB-SYHFPXANSA-N","54602107",NA,"PDBC46487","664867","Present"
-"NSC664868","","","","","","","","","","","","","","","","","","","","NSC664868","","CC(=O)N(C1=CC=C(C=C1)Cl)C(=O)CC(=O)NN=CC2=CC(=C(C=C2)Br)N(CCC#N)CCC#N","VVIKFCFRJNSTNP-MWLSYYOVSA-N","6156870",NA,"PDBC46488","664868","Present"
-"NSC664869","","","","","","","","","","","","","","","","","","","","NSC664869","","C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=O)CC(=O)NN=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4Cl)O","FLWSLQDKSRAEOV-JFRXMMCJSA-N","135509166",NA,"PDBC46489","664869","Present"
-"NSC664870","","","","","","","","","","","","","","","","","","","","NSC664870","","C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=O)CC(=O)NN=CC3=CC=CC=C3O","MPNKGKIPPKYMHS-MYYYXRDXSA-N","135509167",NA,"PDBC46490","664870","Present"
-"NSC664874","","","","","","","","","","","","","","","","","","","","NSC664874","","C1=CC=C(C=C1)C=CC(=O)N(C2=CC=C(C=C2)Cl)C(=O)CC(=O)N3C(=O)C(C(=N3)C4=CC=CC=C4)N=NC5=CC(=CC=C5)[N+](=O)[O-]","IBFXPWCSHKJVQR-QXWMKUIQSA-N","54608762",NA,"PDBC46491","664874","Present"
-"NSC664878","","","","","","","","","","","","","","","","","","","","NSC664878","","COC1=C(C=C2C(=C1)CCC(=CC3=CC=CC=C3)C2=O)OC","NRYSCBHMHARBCL-XNTDXEJSSA-N","5468133",NA,"PDBC46492","664878","Present"
-"NSC664885","","","","","","","","","","","","","","","","","","","","NSC664885","","C1C(C=CC1N2C=NC3=C(N=CN=C32)N)COS(=O)(=O)N","XFKWYFKSQWBXQJ-UHFFFAOYSA-N","379793",NA,"PDBC46493","664885","Present"
-"NSC664890","","","","","","","","","","","","","","","","","","","","NSC664890","","C1C(C=CC1N2C3=NC=NC(=C3N=N2)N)COS(=O)(=O)N","LLTFYYUWFUKENP-UHFFFAOYSA-N","379798",NA,"PDBC46494","664890","Present"
-"NSC664985","","","","","","","","","","","","","","","","","","","","NSC664985","","CN1C2CCC1C(CC2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC","RCYQXSCEIUPTHM-RUXDESIVSA-N","379851",NA,"PDBC46495","664985","Present"
-"NSC664999","","","","","","","","","","","","","","","","","","","","NSC664999","","C1CCC(CC1)N2C(=NN=N2)C3(CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5.Cl","NSOAQSAJPVFRKK-UHFFFAOYSA-N","379860",NA,"PDBC46496","664999","Present"
-"NSC665001","","","","","","","","","","","","","","","","","","","","NSC665001","","COC1=CC(=CC(=C1OC)OC)C2NCCC(N2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl","WTAKZDOUASCSIP-UHFFFAOYSA-N","379863",NA,"PDBC46497","665001","Present"
-"NSC665078","","","","","","","","","","","","","","","","","","","","NSC665078","","C(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)[N+](=O)[O-]","FLKXTZSOAHMIPV-IWQZZHSRSA-N","54608934",NA,"PDBC46498","665078","Present"
-"NSC665080","","","","","","","","","","","","","","","","","","","","NSC665080","","C(#N)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])Cl","GVCUXNOKYQGIHH-HYXAFXHYSA-N","6172755",NA,"PDBC46499","665080","Present"
-"NSC665090","","","","","","","","","","","","","","","","","","","","NSC665090","","C(CNC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl)NC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","DEEQFYOKPSNONG-OZDSWYPASA-N","5468141",NA,"PDBC46500","665090","Present"
-"NSC665092","","","","","","","","","","","","","","","","","","","","NSC665092","","CC(C)(C)NC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])NC(C)(C)C","DZDGZBNSRLGWHL-CLFYSBASSA-N","45024025",NA,"PDBC46501","665092","Present"
-"NSC665101","","","","","","","","","","","","","","","","","","","","NSC665101","","C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])Cl","BDZVOXQORILTKA-LUAWRHEFSA-N","12556281",NA,"PDBC46502","665101","Present"
-"NSC665115","","","","","","","","","","","","","","","","","","","","NSC665115","","C(C(=NO)C(=C(Cl)Cl)Cl)(Cl)Cl","VNCUOSHBYVGDSR-SGAXSIHGSA-N","5465851",NA,"PDBC46503","665115","Present"
-"NSC665126","","","","","","","","","","","","","","","","","","","","NSC665126","","C1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C=CC5=CC=C(C=C5)[N+](=O)[O-]","TXOPJXIIAAMQKX-JLHYYAGUSA-N","6305573",NA,"PDBC46504","665126","Present"
-"NSC665287","","","","","","","","","","","","","","","","","","","","NSC665287","","CN1CCC2=C(C1)C3=C(C=CC=C3N2)CCCN(C)C.Cl","QPYDPCVJPLOJBK-UHFFFAOYSA-N","379980",NA,"PDBC46505","665287","Present"
-"NSC665288","","","","","","","","","","","","","","","","","","","","NSC665288","","C1CN(CC2=C1NC3=CC=CC(=C23)CCCC(=O)C4=CC=C(C=C4)F)CC5=CC=CC=C5.Cl","FBNMOJGLLWGOOK-UHFFFAOYSA-N","379982",NA,"PDBC46506","665288","Present"
-"NSC665292","","","","","","","","","","","","","","","","","","","","NSC665292","","CN1C2=CC=CC=C2C(=O)NC13CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F.Cl","YEKLQWDABDBJEI-UHFFFAOYSA-N","379987",NA,"PDBC46507","665292","Present"
-"NSC665293","","","","","","","","","","","","","","","","","","","","NSC665293","","C1CN(CCC12NC(=O)C3=CC=CC=C3O2)CCCC(=O)C4=CC=C(C=C4)F.Cl","RSIUTLCYCDQAIU-UHFFFAOYSA-N","379989",NA,"PDBC46508","665293","Present"
-"NSC665301","","","","","","","","","","","","","","","","","","","","NSC665301","","COC1=CC2=C(C=C1)C3=C(N2)CCN(C3)CC4=CC=CC=C4.Cl","FTCUSTNDBIQYMG-UHFFFAOYSA-N","379999",NA,"PDBC46509","665301","Present"
-"NSC665302","","","","","","","","","","","","","","","","","","","","NSC665302","","C1CNCC2=C1NC3=C2C=CC(=C3)F.Cl","SVTBBWMIZAXQQI-UHFFFAOYSA-N","380001",NA,"PDBC46510","665302","Present"
-"NSC665303","","","","","","","","","","","","","","","","","","","","NSC665303","","C1CN(CC2=C1NC3=C2C=CC(=C3)F)CC4=CC=CC=C4.Cl","PRWWYTALRJNEON-UHFFFAOYSA-N","380003",NA,"PDBC46511","665303","Present"
-"NSC665304","","","","","","","","","","","","","","","","","","","","NSC665304","","C1CN(CC2=C1NC3=C2C=CC(=C3)F)CCCC4(OCCO4)C5=CC=C(C=C5)F.Cl","AJBAFCHCPFFEHM-UHFFFAOYSA-N","380005",NA,"PDBC46512","665304","Present"
-"NSC665305","","","","","","","","","","","","","","","","","","","","NSC665305","","CN1CCC2(CC1)C(=NC3CCCCC3)NC(=O)N2C4=CC=CC=C4.Cl","JLQNLLLZVABDJM-UHFFFAOYSA-N","135450439",NA,"PDBC46513","665305","Present"
-"NSC665306","","","","","","","","","","","","","","","","","","","","NSC665306","","C1CN(CC2=C1NC3=C2C=CC(=C3)F)CCCC(=O)C4=CC=C(C=C4)F.Cl","FHYYYXAXQGNNKZ-UHFFFAOYSA-N","380009",NA,"PDBC46514","665306","Present"
-"NSC665309","","","","","","","","","","","","","","","","","","","","NSC665309","","COC1=C(C(=C2C(=C1)C3=C(N2)CCN(C3)CC4=CC=CC=C4)OC)OC.Cl","UTCMWTULFOTAQH-UHFFFAOYSA-N","380013",NA,"PDBC46515","665309","Present"
-"NSC665312","","","","","","","","","","","","","","","","","","","","NSC665312","","C1CN(CCC12C(=O)NC(=O)N2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F.Cl","DVRUZOULJXDHCV-UHFFFAOYSA-N","380017",NA,"PDBC46516","665312","Present"
-"NSC665319","","","","","","","","","","","","","","","","","","","","NSC665319","","C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(CC3)CCCC(=O)C4=CC=CC=C4)O.Cl","WNCSPSCKMKGMMN-UHFFFAOYSA-N","380024",NA,"PDBC46517","665319","Present"
-"NSC665323","","","","","","","","","","","","","","","","","","","","NSC665323","","CCC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)N3CCOCC3.Cl","SCJXGBZOJSESOL-UHFFFAOYSA-N","380027",NA,"PDBC46518","665323","Present"
-"NSC665324","","","","","","","","","","","","","","","","","","","","NSC665324","","CCC(=O)C(CCN1CCC2(CCCC3=CC=CC=C32)CC1)(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O","DRZCBAHULALFNW-UHFFFAOYSA-N","380028",NA,"PDBC46519","665324","Present"
-"NSC665327","","","","","","","","","","","","","","","","","","","","NSC665327","","C1CN(CCC12CC(OC2=O)C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F.Cl","BMIYJZCVEJEDQZ-UHFFFAOYSA-N","380032",NA,"PDBC46520","665327","Present"
-"NSC665333","","","","","","","","","","","","","","","","","","","","NSC665333","","CC(C)CN1CN(C2(C1=O)CCN(CC2)CC(C)(C3OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl","LYAHIHRNVIZSCF-UHFFFAOYSA-N","380036",NA,"PDBC46521","665333","Present"
-"NSC665337","","","","","","","","","","","","","","","","","","","","NSC665337","","CN1C2CCC1C(C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)Cl)C(=O)OC.Cl","PVQRSUUDFSSQJS-UHFFFAOYSA-N","380041",NA,"PDBC46522","665337","Present"
-"NSC665338","","","","","","","","","","","","","","","","","","","","NSC665338","","CC(C)C=CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O","LFEGCLWKAFYJIE-FLIBITNWSA-N","5468144",NA,"PDBC46523","665338","Present"
-"NSC665342","","","","","","","","","","","","","","","","","","","","NSC665342","","CN1CCC=C(C1)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl","FDZJDLPDBOUGJL-UHFFFAOYSA-N","380045",NA,"PDBC46524","665342","Present"
-"NSC665349","","","","","","","","","","","","","","","","","","","","NSC665349","","C1CC(=CC2=CC=CC=C2)C(=O)C3=C1C=CC(=C3)[N+](=O)[O-]","GBZUAPFUZMEKIT-GXDHUFHOSA-N","5468148",NA,"PDBC46525","665349","Present"
-"NSC665350","","","","","","","","","","","","","","","","","","","","NSC665350","","C1CC(=CC2=CC=C(C=C2)O)C(=O)C3=C1C=CC(=C3)[N+](=O)[O-]","HQPCYRNRNQFHJH-UKTHLTGXSA-N","1223185",NA,"PDBC46526","665350","Present"
-"NSC665352","","","","","","","","","","","","","","","","","","","","NSC665352","","C1CC(=CC2=CC=CC3=CC=CC=C32)C(=O)C4=C1C=CC(=C4)[N+](=O)[O-]","GXKBZJFUAYNHNQ-SFQUDFHCSA-N","5468149",NA,"PDBC46527","665352","Present"
-"NSC665369","","","","","","","","","","","","","","","","","","","","NSC665369","","C1CCN(CC1)CCNCCC2=CC=C(C=C2)Br.Cl","NCSSCZYVENPVJY-UHFFFAOYSA-N","380067",NA,"PDBC46528","665369","Present"
-"NSC665370","","","","","","","","","","","","","","","","","","","","NSC665370","","CCN(CC)CCN(C)CCC1=CC=C(C=C1)Br.Br","ZVHUXXMTLVTKCN-UHFFFAOYSA-N","380069",NA,"PDBC46529","665370","Present"
-"NSC665371","","","","","","","","","","","","","","","","","","","","NSC665371","","CN(CCC1=CC=C(C=C1)Br)CCN2CCCCC2.Br","IRLIXMKZWHLEAI-UHFFFAOYSA-N","380071",NA,"PDBC46530","665371","Present"
-"NSC665379","","","","","","","","","","","","","","","","","","","","NSC665379","","COC1=C(C=CC(=C1)C=C2CCC3=CC=CC=C3C2=O)O","GHRBLBVVQILNGN-GXDHUFHOSA-N","5468152",NA,"PDBC46531","665379","Present"
-"NSC665481","","","","","","","","","","","","","","","","","","","","NSC665481","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","AHGSBULIKYTJJP-UHFFFAOYSA-N","380083",NA,"PDBC46532","665481","Present"
-"NSC665482","","","","","","","","","","","","","","","","","","","","NSC665482","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OC","ZGBKEOLAPVBJFC-UHFFFAOYSA-N","380084",NA,"PDBC46533","665482","Present"
-"NSC665528","","","","","","","","","","","","","","","","","","","","NSC665528","","C1CC2=C(C(=CC(=C2)Cl)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])NC1","HTRWQGQGXMEVTO-UHFFFAOYSA-N","380126",NA,"PDBC46534","665528","Present"
-"NSC665542","","","","","","","","","","","","","","","","","","","","NSC665542","","CC12C(N(C(=O)N1C(COC2=O)C3=CC=CC=C3)CC4=CC=CC=C4)CO","YUDCZMRBZQLQPY-OPYAIIAOSA-N","380140",NA,"PDBC46535","665542","Present"
-"NSC665624","","","","","","","","","","","","","","","","","","","","NSC665624","","C1CC(=NNC(=O)NN=C2CCC3=CC=CC=C32)C4=CC=CC=C41","XJCBKFUZKIYYKV-PHEFWILJSA-N","9571859",NA,"PDBC46536","665624","Present"
-"NSC665629","","","","","","","","","","","","","","","","","","","","NSC665629","","CC(C)C(=NNC(=S)NN)C=CC1=CC=CC=C1","XVUQSJBHVRFVJF-YCBPJFTGSA-N","6037014",NA,"PDBC46537","665629","Present"
-"NSC665630","","","","","","","","","","","","","","","","","","","","NSC665630","","CC(C)C(=NNC(=S)NN)C=CC1=CC=C(C=C1)Cl","VTLQMLSUPNJTPZ-PCECAMATSA-N","6302573",NA,"PDBC46538","665630","Present"
-"NSC665631","","","","","","","","","","","","","","","","","","","","NSC665631","","CC(C)C(=O)CC(C1=CC=CC=C1)SC2=CC=C(C=C2)N.Cl","TYEKIYIOMFQTQX-UHFFFAOYSA-N","380188",NA,"PDBC46539","665631","Present"
-"NSC665699","","","","","","","","","","","","","","","","","","","","NSC665699","","CC1(CCCCCCCCCC(C1=O)(C)CC=C)CC=C","SDWQRGAGGRZOHA-BGYRXZFFSA-N","6712284",NA,"PDBC46540","665699","Present"
-"NSC665706","","","","","","","","","","","","","","","","","","","","NSC665706","","CC1(C2=CC(=C(C=C2CCN1)OC)OC)C(C(C(C)(C)O)O)O","OZIMZSMSNSUPFN-DQPZFDDXSA-N","380230",NA,"PDBC46541","665706","Present"
-"NSC665708","","","","","","","","","","","","","","","","","","","","NSC665708","","CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCC(CC2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O","OPKVOJLJVUYGEN-UHFFFAOYSA-N","120614",NA,"PDBC46542","665708","Present"
-"NSC665709","","","","","","","","","","","","","","","","","","","","NSC665709","","CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O.Cl","YVQHEGJCQAWRJE-UHFFFAOYSA-N","380231",NA,"PDBC46543","665709","Present"
-"NSC665717","","","","","","","","","","","","","","","","","","","","NSC665717","","C1CC(=O)NC(=O)C1C(=O)OC2CN3CCC2CC3.Cl","GXKDJZKYSUZMLC-UHFFFAOYSA-N","380237",NA,"PDBC46544","665717","Present"
-"NSC665727","","","","","","","","","","","","","","","","","","","","NSC665727","","C1CN(CCC12C(=O)N(C(=O)O2)C3=CC=CC=C3)CCCC(=O)C4=CC=CC=C4.Cl","QQFIOHBGHQZLAZ-UHFFFAOYSA-N","380246",NA,"PDBC46545","665727","Present"
-"NSC665729","","","","","","","","","","","","","","","","","","","","NSC665729","","C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3(CCSCC3)O.Cl","CPZMRLXDYVRZGC-UHFFFAOYSA-N","380249",NA,"PDBC46546","665729","Present"
-"NSC665736","","","","","","","","","","","","","","","","","","","","NSC665736","","CCOC(=O)N(C)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.Cl","WEOZFWIHKXUUCI-UHFFFAOYSA-N","380256",NA,"PDBC46547","665736","Present"
-"NSC665737","","","","","","","","","","","","","","","","","","","","NSC665737","","CC=CC(C1CCCCC1)(C(=O)OC2CCN(CC2)C)O","MGXDQTQGWGFXKM-JYOAFUTRSA-N","5468171",NA,"PDBC46548","665737","Present"
-"NSC665738","","","","","","","","","","","","","","","","","","","","NSC665738","","CC=CC(C1CCCCC1)(C(=O)OC2CN3CCC2CC3)O","AAGWGNWTWBWIPB-SGAXSIHGSA-N","5468172",NA,"PDBC46549","665738","Present"
-"NSC665740","","","","","","","","","","","","","","","","","","","","NSC665740","","CC(C)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","HRNOKYRZXFRVGD-UHFFFAOYSA-N","380261",NA,"PDBC46550","665740","Present"
-"NSC665742","","","","","","","","","","","","","","","","","","","","NSC665742","","CCCN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","AYLCBZJLNBPUDH-UHFFFAOYSA-N","380264",NA,"PDBC46551","665742","Present"
-"NSC665744","","","","","","","","","","","","","","","","","","","","NSC665744","","CCC=CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O","HCWJBVIFDNMRAA-KMKOMSMNSA-N","5468173",NA,"PDBC46552","665744","Present"
-"NSC665746","","","","","","","","","","","","","","","","","","","","NSC665746","","CC=CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O","KFIKGORTYFCONO-MBXJOHMKSA-N","5468175",NA,"PDBC46553","665746","Present"
-"NSC665763","","","","","","","","","","","","","","","","","","","","NSC665763","","CC=CC(C1CCCC1)(C(=O)OC2C(N3CCC2CC3)C)O","LIECQYLYFBNBJE-IBRPLKNJSA-N","5468177",NA,"PDBC46554","665763","Present"
-"NSC665765","","","","","","","","","","","","","","","","","","","","NSC665765","","CCCCC=CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O","JKPUZMZDECKYBD-JYRVWZFOSA-N","5468178",NA,"PDBC46555","665765","Present"
-"NSC665771","","","","","","","","","","","","","","","","","","","","NSC665771","","CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","YWLLNDLWZAXFHQ-UHFFFAOYSA-N","380289",NA,"PDBC46556","665771","Present"
-"NSC665778","","","","","","","","","","","","","","","","","","","","NSC665778","","C1CCCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CC4COC5=CC=CC=C5O4.Cl","WYAQPYBCAYDWTH-UHFFFAOYSA-N","380297",NA,"PDBC46557","665778","Present"
-"NSC665787","","","","","","","","","","","","","","","","","","","","NSC665787","","CC1C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)OC(=O)N1C.Cl","XILOGGVQEWBPKP-UHFFFAOYSA-N","380305",NA,"PDBC46558","665787","Present"
-"NSC665789","","","","","","","","","","","","","","","","","","","","NSC665789","","CCN1CN(C2(C1=O)CCN(CC2)CC(CC3OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl","UQUZLEJSVIQZIN-UHFFFAOYSA-N","380308",NA,"PDBC46559","665789","Present"
-"NSC665791","","","","","","","","","","","","","","","","","","","","NSC665791","","CN1CN(C2(C1=O)CCN(CC2)CCCN(C)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","SFMCJBPTBFNTNE-UHFFFAOYSA-N","380311",NA,"PDBC46560","665791","Present"
-"NSC665804","","","","","","","","","","","","","","","","","","","","NSC665804","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3C=CCN3C(=O)C(C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","SDFIROAOIOUHKX-BRNRUIPFSA-N","380320",NA,"PDBC46561","665804","Present"
-"NSC665805","","","","","","","","","","","","","","","","","","","","NSC665805","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CC(CN3C(=O)C(C)O)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","RHKBSXYAXHKXEG-BBAJFZNZSA-N","380321",NA,"PDBC46562","665805","Present"
-"NSC665806","","","","","","","","","","","","","","","","","","","","NSC665806","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CC(CN3)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","DCKHYMCBBYLYHE-ZMRKGEOASA-N","380322",NA,"PDBC46563","665806","Present"
-"NSC665819","","","","","","","","","","","","","","","","","","","","NSC665819","","COC1=C(C=C2C3C4=CC=CC=C4CCN3CCCC2=C1)OC.OCl(=O)(=O)=O","KKQZJPLWOUOAPG-UHFFFAOYSA-N","13804926",NA,"PDBC46564","665819","Present"
-"NSC665862","","","","","","","","","","","","","","","","","","","","NSC665862","","CCN1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","MDZFKPNXDLGZKN-UHFFFAOYSA-N","380334",NA,"PDBC46565","665862","Present"
-"NSC665863","","","","","","","","","","","","","","","","","","","","NSC665863","","CN1CN(C2(C1=O)CCN(CC2)CCCCCCF)C3=CC=CC=C3.Cl","XUUMQRAAASPPCD-UHFFFAOYSA-N","380336",NA,"PDBC46566","665863","Present"
-"NSC665868","","","","","","","","","","","","","","","","","","","","NSC665868","","CCC(C)N1CN(C2(C1=O)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5.Cl","YWOAJRUIISYBGT-UHFFFAOYSA-N","380340",NA,"PDBC46567","665868","Present"
-"NSC665869","","","","","","","","","","","","","","","","","","","","NSC665869","","CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","WZBOIJSQUUPANG-UHFFFAOYSA-N","380342",NA,"PDBC46568","665869","Present"
-"NSC665870","","","","","","","","","","","","","","","","","","","","NSC665870","","CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl","DGIHAGDZGFDIBK-UHFFFAOYSA-N","380344",NA,"PDBC46569","665870","Present"
-"NSC665876","","","","","","","","","","","","","","","","","","","","NSC665876","","CN1C(CCCC1CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(C4=CC=CC=C4)O.Cl","BVJXCTHMBWFSME-UHFFFAOYSA-N","380350",NA,"PDBC46570","665876","Present"
-"NSC665877","","","","","","","","","","","","","","","","","","","","NSC665877","","C1CC1C(C2=CC=CC=C2)(C(=O)OCC3=CCC(CC3)N)O.Cl","STDVTOJSGNPGJU-UHFFFAOYSA-N","380352",NA,"PDBC46571","665877","Present"
-"NSC665879","","","","","","","","","","","","","","","","","","","","NSC665879","","CCN(CC)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl","PISFASLLWCKOGS-UHFFFAOYSA-N","380356",NA,"PDBC46572","665879","Present"
-"NSC665881","","","","","","","","","","","","","","","","","","","","NSC665881","","CCN(CC)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","BBYDWWVEULYVDU-UHFFFAOYSA-N","380359",NA,"PDBC46573","665881","Present"
-"NSC665887","","","","","","","","","","","","","","","","","","","","NSC665887","","CNC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","IQBBWFFCFSPVNO-UHFFFAOYSA-N","380364",NA,"PDBC46574","665887","Present"
-"NSC665892","","","","","","","","","","","","","","","","","","","","NSC665892","","CC(C)C(C1=CC=CC=C1)(C(=O)OC=C2CC3CCN2CC3)O.Cl","DXDRPTBRICYLJP-IWSIBTJSSA-N","5468186",NA,"PDBC46575","665892","Present"
-"NSC665893","","","","","","","","","","","","","","","","","","","","NSC665893","","CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CC3CCN2CC3)O.Cl","HHJXPMQZAIFHGJ-UHFFFAOYSA-N","380375",NA,"PDBC46576","665893","Present"
-"NSC665895","","","","","","","","","","","","","","","","","","","","NSC665895","","C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCCC3=C4CCN(C3)CC4)O.Cl","BPLVRQNFBPFXPM-UHFFFAOYSA-N","380378",NA,"PDBC46577","665895","Present"
-"NSC665897","","","","","","","","","","","","","","","","","","","","NSC665897","","CNC(=O)ON=C1C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)N(CN1C)C4=CC=CC=C4.Cl","ZXWSUCJNHCWVRY-PSVMXRHTSA-N","9571860",NA,"PDBC46578","665897","Present"
-"NSC665904","","","","","","","","","","","","","","","","","","","","NSC665904","","C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N3CC(CC3C(=O)NCC(=O)N)O","DYGFLFRSHCZWFN-UHFFFAOYSA-N","380387",NA,"PDBC46579","665904","Present"
-"NSC665905","","","","","","","","","","","","","","","","","","","","NSC665905","","C1C(CN(C1C(=O)NCC(=O)N)C(=O)OCC2=CC=CC=C2)OCCC(=O)O","CGMFOUZDKNWLIZ-KGLIPLIRSA-N","380388",NA,"PDBC46580","665905","Present"
-"NSC665906","","","","","","","","","","","","","","","","","","","","NSC665906","","C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N3CC(CC3C(=O)NCC(=O)N)OCCC(=O)O","VUUVQKJLHXDCFV-ABHNRTSZSA-N","380389",NA,"PDBC46581","665906","Present"
-"NSC665915","","","","","","","","","","","","","","","","","","","","NSC665915","","CC1(C2CC1C3=CN=C(C=C3C2CCCCCC4C5CC(C5(C)C)C6=CN=C(C=C46)C7=CC=CC=N7)C8=CC=CC=N8)C","UMTNNIPQMSWQED-CPMKJYBBSA-N","6712285",NA,"PDBC46582","665915","Present"
-"NSC665916","","","","","","","","","","","","","","","","","","","","NSC665916","","CC(=NNC(=S)N(C)C)C1=NN=CC=C1","KPEKCTFBTWLDON-YRNVUSSQSA-N","5465856",NA,"PDBC46583","665916","Present"
-"NSC666036","","","","","","","","","","","","","","","","","","","","NSC666036","","CN1CC(=CC2=CC=C(C=C2)OC)C(=O)C(=CC3=CC=C(C=C3)OC)C1.Cl","WSEGIQFRIZFEMT-VIWUVAGBSA-N","5468194",NA,"PDBC46584","666036","Present"
-"NSC666037","","","","","","","","","","","","","","","","","","","","NSC666037","","CN1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1.Cl","CLCJQXBEHIRFGW-UUHMWQSOSA-N","5468195",NA,"PDBC46585","666037","Present"
-"NSC666039","","","","","","","","","","","","","","","","","","","","NSC666039","","CN1CC(=CC2=CC=CC=C2)C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4.Cl","CHMAUIANXKBHFR-KCUXUEJTSA-N","5468198",NA,"PDBC46586","666039","Present"
-"NSC666078","","","","","","","","","","","","","","","","","","","","NSC666078","","C1=CC(=NC(=C1)NC2=NC(=NC3=CC=CC(=N3)N)C4=C2C=C(C(=C4)C#N)C#N)N","GGJYSNLKJPPLHB-UHFFFAOYSA-N","6475176",NA,"PDBC46587","666078","Present"
-"NSC666098","","","","","","","","","","","","","","","","","","","","NSC666098","","CC1(CCC2(C(C1)CCC3(C2CC(C(C3(C)O)O)O)C)C)C=C","WGQXFKYPNJSSNV-RSFLROBPSA-N","6712288",NA,"PDBC46588","666098","Present"
-"NSC666099","","","","","","","","","","","","","","","","","","","","NSC666099","","CC=C(C)C(=O)OC(CC(C)C1CC(OC1=O)C2=COC=C2)C3(C(=O)CCC4C3(O4)C)C","BIFKZMRQMUVZIN-URDIXDQLSA-N","54608173",NA,"PDBC46589","666099","Present"
-"NSC666100","","","","","","","","","","","","","","","","","","","","NSC666100","","CC1CC(=O)C2(C3(C(O3)CCC2(C14CC(OC4=O)C5=COC=C5)O)C)C","DCWMPDIKJVJVTN-OETSQEMGSA-N","6712290",NA,"PDBC46590","666100","Present"
-"NSC666107","","","","","","","","","","","","","","","","","","","","NSC666107","","CC1C(C2=C(O1)C3=C(C=CC=C3OC2=O)C)(C)CC4C=C(C(=O)O4)C","FUFWOZXBFXQBAK-GRFSXMBSSA-N","6712291",NA,"PDBC46591","666107","Present"
-"NSC666108","","","","","","","","","","","","","","","","","","","","NSC666108","","CC1C2(CC3C4C25C(=O)OC6=CC=CC(=C6C5(C4(C(=O)O3)C)O1)C)C","LQWKCEWXDVNHSN-GTPKTLKUSA-N","6712292",NA,"PDBC46592","666108","Present"
-"NSC666109","","","","","","","","","","","","","","","","","","","","NSC666109","","CC1CC(OC1=O)CC2(C(OC3=C2C(=O)OC4=CC=CC=C43)C)C","ZMKRODNVESYSPD-WUVPNGRZSA-N","6712293",NA,"PDBC46593","666109","Present"
-"NSC666110","","","","","","","","","","","","","","","","","","","","NSC666110","","CC1=C2C(=CC=C1)OC(=O)C3=C2OC4(CC3(C)C=C)C=C(C(O4)O)CO","PBJOCNBYKSMQMJ-SYYJFZTOSA-N","6712294",NA,"PDBC46594","666110","Present"
-"NSC666111","","","","","","","","","","","","","","","","","","","","NSC666111","","CC(=C)C(=O)OC1CC(C2CC=C(C2C3C1C(=C)C(=O)O3)CO)COC(=O)C","ZQPFGMDYYNTUEJ-GIEYKRTMSA-N","380496",NA,"PDBC46595","666111","Present"
-"NSC666112","","","","","","","","","","","","","","","","","","","","NSC666112","","CC1=CCC2C1C3C(C(CC2COC(=O)C)OC(=O)C(=C)C)C(=C)C(=O)O3","UNGPWPFVTZJHKP-UXJMZZSFSA-N","380497",NA,"PDBC46596","666112","Present"
-"NSC666113","","","","","","","","","","","","","","","","","","","","NSC666113","","CC(=C)C(=O)OC1CC2(C(O2)CCC(=CC3C1C(=C)C(=O)O3)COC(=O)C)CO","GFLCDEMBDDXLFO-IKXOXGKJSA-N","5468206",NA,"PDBC46597","666113","Present"
-"NSC666114","","","","","","","","","","","","","","","","","","","","NSC666114","","CC(=C)C(=O)OC1CC(=CCCC(=C)C(C2C1C(=C)C(=O)O2)OC(=O)C)CO","OVXNZQBVUMIAGK-ZXFPPPRQSA-N","5468207",NA,"PDBC46598","666114","Present"
-"NSC666123","","","","","","","","","","","","","","","","","","","","NSC666123","","CC1=CC(=C2C=C(C(=C2C(=C1)C)C(=CC(=O)OC)C(=O)OC)C)C","NQQXWUGNDZLMOY-MHWRWJLKSA-N","5468210",NA,"PDBC46599","666123","Present"
-"NSC666157","","","","","","","","","","","","","","","","","","","","NSC666157","","CC1C(C2CCCN2O1)C(=O)N3C4CC5CCC4(C5(C)C)CS3(=O)=O","FDPRDAHOVZKQDN-DXQMLTRVSA-N","380551",NA,"PDBC46600","666157","Present"
-"NSC666170","","","","","","","","","","","","","","","","","","","","NSC666170","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)NN2C4=NNC5(C6=CC=CC=C6C7=CC=CC=C75)C(=O)N4","QETSMULIVAOTPT-NLRVBDNBSA-N","135509168",NA,"PDBC46601","666170","Present"
-"NSC666171","","","","","","","","","","","","","","","","","","","","NSC666171","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)O)C(=O)NN2C4=NNC5(C6=CC=CC=C6C7=CC=CC=C75)C(=O)N4","YBFNCFNHNUCSIP-NLRVBDNBSA-N","135485803",NA,"PDBC46602","666171","Present"
-"NSC666172","","","","","","","","","","","","","","","","","","","","NSC666172","","COC1=C(C=CC(=C1)C=C2C(=O)NN(C(=N2)C3=CC=CC=C3)C4=NNC5(C6=CC=CC=C6C7=CC=CC=C75)C(=O)N4)O","VYWHZZHEZRDFNN-KOEQRZSOSA-N","135509169",NA,"PDBC46603","666172","Present"
-"NSC666174","","","","","","","","","","","","","","","","","","","","NSC666174","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC5=NN6C(N5N4)NN=C(C6=O)C=CC7=CC=C(C=C7)Cl","QQWWLDJIZOKBBU-SDNWHVSQSA-N","135509170",NA,"PDBC46604","666174","Present"
-"NSC666175","","","","","","","","","","","","","","","","","","","","NSC666175","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC5=NNC(=S)N5N4","CNUSVQAACORKOK-UHFFFAOYSA-N","3549094",NA,"PDBC46605","666175","Present"
-"NSC666297","","","","","","","","","","","","","","","","","","","","NSC666297","","COC1=CC=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)OC","JFOLIEXFFOBCSM-LQIBPGRFSA-N","5469423",NA,"PDBC46606","666297","Present"
-"NSC666363","","","","","","","","","","","","","","","","","","","","NSC666363","","COC1=CC(=C(C(=C1)OC)C=NNC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC","RFILMEWFEGRKGZ-MYYYXRDXSA-N","6474329",NA,"PDBC46607","666363","Present"
-"NSC666388","","","","","","","","","","","","","","","","","","","","NSC666388","","C1C=CC(=O)OC1CC(CC(=O)C=CC2=CC=CC=C2)O","BAJICORABIZDNM-MTQIJDFFSA-N","5468230",NA,"PDBC46608","666388","Present"
-"NSC666389","","","","","","","","","","","","","","","","","","","","NSC666389","","CC1CC(C(C(C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6","SMHKNMFYOFQODR-DGXXZDOQSA-N","380687",NA,"PDBC46609","666389","Present"
-"NSC666402","","","","","","","","","","","","","","","","","","","","NSC666402","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(CC2(CCC4C3CC4(C)C)C)O","BSQVUDMFVHHRDL-FCDQGJHFSA-N","9556165",NA,"PDBC46610","666402","Present"
-"NSC666404","","","","","","","","","","","","","","","","","","","","NSC666404","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCCCCCCCC2CN(C)C","NVUSBBZSCHERAZ-GHVJWSGMSA-N","5465869",NA,"PDBC46611","666404","Present"
-"NSC666449","","","","","","","","","","","","","","","","","","","","NSC666449","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3CC4CC(C3)C2C4","DJQRNONZIDNZMM-WUKNDPDISA-N","5465873",NA,"PDBC46612","666449","Present"
-"NSC666521","","","","","","","","","","","","","","","","","","","","NSC666521","","C1CC2C(CCCC2=O)C(C1)O","MZGZZGABVHCNSV-UEJVZZJDSA-N","380802",NA,"PDBC46613","666521","Present"
-"NSC666522","","","","","","","","","","","","","","","","","","","","NSC666522","","CC12CCCC(=O)C1(CCC2=O)C","VUDORAKYVLDCOV-NFJWQWPMSA-N","380803",NA,"PDBC46614","666522","Present"
-"NSC666523","","","","","","","","","","","","","","","","","","","","NSC666523","","CC12CCC(=O)C1(CCCC2O)C","NMKDLFHRWGOBSA-LDGBHUKOSA-N","380804",NA,"PDBC46615","666523","Present"
-"NSC666525","","","","","","","","","","","","","","","","","","","","NSC666525","","CC=CC1(CC2C1CCCC2)OC(=O)C3=CC=CC=C3","STSGVNZJFQQJBS-XQZZVBEXSA-N","11970087",NA,"PDBC46616","666525","Present"
-"NSC666527","","","","","","","","","","","","","","","","","","","","NSC666527","","CC(=C)C1(CC2C1CCCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","YIKFTRCBMFOFHB-IWEFOYFVSA-N","6712300",NA,"PDBC46617","666527","Present"
-"NSC666528","","","","","","","","","","","","","","","","","","","","NSC666528","","CC1(CC2C1CCCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","RNBHHMHAYSEBMU-JMPLFQLZSA-N","6712301",NA,"PDBC46618","666528","Present"
-"NSC666543","","","","","","","","","","","","","","","","","","","","NSC666543","","C1CC2CC(=O)CCC23CC(=O)OC3C1","QOPGYXFUNBRGFI-FVIPRIBZSA-N","380821",NA,"PDBC46619","666543","Present"
-"NSC666544","","","","","","","","","","","","","","","","","","","","NSC666544","","C1CC2CC3(CCC24CC(=O)OC4C1)OCCO3","WMALBTVORGWWAC-ZNVNOEFISA-N","380822",NA,"PDBC46620","666544","Present"
-"NSC666545","","","","","","","","","","","","","","","","","","","","NSC666545","","C1CC2C3(CCC(=O)C=C3C1)CC(=O)O2","SPBCLBYDKFLSBW-PWSUYJOCSA-N","380823",NA,"PDBC46621","666545","Present"
-"NSC666546","","","","","","","","","","","","","","","","","","","","NSC666546","","C1CC2C3(CCC4(CC3=C1)OCCO4)CC(=O)O2","ZQXHCTYZNCAYNJ-YPMHNXCESA-N","380824",NA,"PDBC46622","666546","Present"
-"NSC666547","","","","","","","","","","","","","","","","","","","","NSC666547","","C=CCC12CCC(=O)C=C1CCCC2=O","HBBRHQLTEFRJFN-CYBMUJFWSA-N","380825",NA,"PDBC46623","666547","Present"
-"NSC666548","","","","","","","","","","","","","","","","","","","","NSC666548","","CC1C(=O)CCC2(C1(CCCC2=O)O)C","JXLHXCLQVODFAG-HBWJCNCUSA-N","380826",NA,"PDBC46624","666548","Present"
-"NSC666549","","","","","","","","","","","","","","","","","","","","NSC666549","","CC12CCCC(C1(CCC2=O)C)(C=C)O","JBJFXAFSWSKQET-YPHAAILGSA-N","6712302",NA,"PDBC46625","666549","Present"
-"NSC666550","","","","","","","","","","","","","","","","","","","","NSC666550","","CC12CCC3(C=C1CCCC2(C#C)O)SCCS3","FKQNKVYSCWYQNO-ZIAGYGMSSA-N","380828",NA,"PDBC46626","666550","Present"
-"NSC666551","","","","","","","","","","","","","","","","","","","","NSC666551","","CC1CCC(C(C12CC=CC2=O)C)O","QMJLIZMVHVEKOK-SKMKEBHYSA-N","380829",NA,"PDBC46627","666551","Present"
-"NSC666552","","","","","","","","","","","","","","","","","","","","NSC666552","","C1CC2C(CCC3C1C(=O)C3(Cl)Cl)C(C2=O)(Cl)Cl","OJSQVYQBBPSAHU-AEMDVCDZSA-N","380830",NA,"PDBC46628","666552","Present"
-"NSC666676","","","","","","","","","","","","","","","","","","","","NSC666676","","CC(C)(C=CP(=O)(C)C1=CC=CC=C1)O","NIPXRPWOSZSPPP-KTKRTIGZSA-N","5468244",NA,"PDBC46629","666676","Present"
-"NSC666677","","","","","","","","","","","","","","","","","","","","NSC666677","","CC(C)(C=CP(=O)(O)O)O.[K+]","XGZFMHRJQBJEPL-LNKPDPKZSA-N","54608763",NA,"PDBC46630","666677","Present"
-"NSC666688","","","","","","","","","","","","","","","","","","","","NSC666688","","CC1(CSCC(C(=NN)C1=NN)(C)C)C","IYJYMSFBCJIDPX-FNCQTZNRSA-N","6869869",NA,"PDBC46631","666688","Present"
-"NSC666689","","","","","","","","","","","","","","","","","","","","NSC666689","","CC1(CS(=O)(=O)CC(C(=NN)C1=NN)(C)C)C","RIOOGMHAJUMYKG-FNCQTZNRSA-N","9571861",NA,"PDBC46632","666689","Present"
-"NSC666723","","","","","","","","","","","","","","","","","","","","NSC666723","","COC(=O)C1=CC(=C(C=C1)S)S(=O)(=O)NC2=NNC(=N2)N","YDTWPQPIUFAGTC-UHFFFAOYSA-N","380937",NA,"PDBC46633","666723","Present"
-"NSC666726","","","","","","","","","","","","","","","","","","","","NSC666726","","CC1(OCC(C(CO1)O)C#N)C","XEUJWYSNNKRFIW-RNFRBKRXSA-N","380940",NA,"PDBC46634","666726","Present"
-"NSC666727","","","","","","","","","","","","","","","","","","","","NSC666727","","CC(=C)C1CCC(C(C1)C#N)(C)O","XMSSLEJRRCPSEN-QXXIUIOUSA-N","380941",NA,"PDBC46635","666727","Present"
-"NSC666728","","","","","","","","","","","","","","","","","","","","NSC666728","","CC(C)(C)OCC(CC#N)O","QMZBRCSTFKEQPV-SSDOTTSWSA-N","380942",NA,"PDBC46636","666728","Present"
-"NSC666730","","","","","","","","","","","","","","","","","","","","NSC666730","","CC1(OCC(C(CO1)Br)O)C","XRMJIYPEOLDAGW-PHDIDXHHSA-N","380944",NA,"PDBC46637","666730","Present"
-"NSC666739","","","","","","","","","","","","","","","","","","","","NSC666739","","CC(C(CCCCCCC=CCC=CCC=CCC=CC=CC(CC=CCC(C(C)N)O)O)O)N","SRMFEHHBFSEVCX-CJDZMNEYSA-N","5468254",NA,"PDBC46638","666739","Present"
-"NSC666758","","","","","","","","","","","","","","","","","","","","NSC666758","","C1C(OC2=CC=CC=C2C1=NNC3=CC=CC=C3)C4=CC=CC=C4","LYCGIKKLCIAWGJ-FCDQGJHFSA-N","5465884",NA,"PDBC46639","666758","Present"
-"NSC666768","","","","","","","","","","","","","","","","","","","","NSC666768","","CC1CC(=CC2=CC(=C(C=C2)O)O)C(=O)C(=CC3=CC(=C(C=C3)O)O)C1","BCVQJUKSDDVUFY-BVXMOGEKSA-N","5468264",NA,"PDBC46640","666768","Present"
-"NSC666769","","","","","","","","","","","","","","","","","","","","NSC666769","","CC1CC(=CC2=CC=C(C=C2)OC(=O)C(C)(C)C)C(=O)C(=CC3=CC=C(C=C3)OC(=O)C(C)(C)C)C1","ZOSUNYJIKNVMNW-KBQFLUNPSA-N","5468265",NA,"PDBC46641","666769","Present"
-"NSC666848","","","","","","","","","","","","","","","","","","","","NSC666848","","CC1(C2CCC3C(C2(CCC1=O)C)CC=C(C3C=C)CO)C","VINLDSTZNWURGA-BCUUAKKCSA-N","380972",NA,"PDBC46642","666848","Present"
-"NSC666849","","","","","","","","","","","","","","","","","","","","NSC666849","","CC1=CC(=O)CC2C1(CCC3C2(CC(C(C3)(C)C=C)O)C)C","VAINSGCEOCFOIZ-ZYQXUESXSA-N","6712305",NA,"PDBC46643","666849","Present"
-"NSC666850","","","","","","","","","","","","","","","","","","","","NSC666850","","CC(CCC1(C(=O)CCC2C1(O2)C)C)C3CC(OC3=O)C4=COC=C4","HDASQUSMIJRXPV-DYTNSZLISA-N","6712306",NA,"PDBC46644","666850","Present"
-"NSC666851","","","","","","","","","","","","","","","","","","","","NSC666851","","CC1CCC2(C3(CCC2(C14CC(OC4=O)C5=COC=C5)OC3=O)C)C","LJUJJGHPDOTAAY-IEMNOSGOSA-N","6712307",NA,"PDBC46645","666851","Present"
-"NSC666855","","","","","","","","","","","","","","","","","","","","NSC666855","","CC(C)C(=O)OCC(=C)C1C(C2=C(O1)C=CC(=C2)C(=O)C)OC(=O)C(C)C","BWXQEPRVCJIAKP-MOPGFXCFSA-N","380979",NA,"PDBC46646","666855","Present"
-"NSC666856","","","","","","","","","","","","","","","","","","","","NSC666856","","CC(=O)C1=CC2=C(C=C1)OC(C2O)C(=C)CO","YGRKPHJHMPSHAJ-QWHCGFSZSA-N","380980",NA,"PDBC46647","666856","Present"
-"NSC666858","","","","","","","","","","","","","","","","","","","","NSC666858","","CC1=CC(C2C(C3C1CC(C3=C)OC(=O)C)OC(=O)C2=C)OC(=O)C(C)(C(C)OC(=O)C)O","FWEPMSODJFIBBA-FDFJVUNOSA-N","380982",NA,"PDBC46648","666858","Present"
-"NSC666859","","","","","","","","","","","","","","","","","","","","NSC666859","","CC1=CC(C2C(C3C1CC(C3=C)OC(=O)C)OC(=O)C2=C)OC(=O)C(C)(C(C)OC(=O)C)OC(=O)C","YGJFGTATQFSXLS-GQCDJAAISA-N","380983",NA,"PDBC46649","666859","Present"
-"NSC666861","","","","","","","","","","","","","","","","","","","","NSC666861","","CC1=C2C(=CC=C1)OC(=O)C3(C2=O)C(C(=O)CC3(C)C=C)C(C)C=O","QGEMZVKBNYBKQR-AECDRRKISA-N","6712308",NA,"PDBC46650","666861","Present"
-"NSC666973","","","","","","","","","","","","","","","","","","","","NSC666973","","C1C2CC3=CC=CC=C3N2NC1CO","MMMVWOIPUJDIKF-ZJUUUORDSA-N","380996",NA,"PDBC46651","666973","Present"
-"NSC666993","","","","","","","","","","","","","","","","","","","","NSC666993","","COC1=CC2=C(C=C1)C3C4=CC=CC=C4CCN3CCC2.Cl","IRHWNUHIEMOUDZ-UHFFFAOYSA-N","381008",NA,"PDBC46652","666993","Present"
-"NSC666997","","","","","","","","","","","","","","","","","","","","NSC666997","","COC1=C(C=C2C3C4CCCCC4CCN3CCC2=C1)OC.Cl","QGWXPTCEKFJCGA-UHFFFAOYSA-N","381013",NA,"PDBC46653","666997","Present"
-"NSC667003","","","","","","","","","","","","","","","","","","","","NSC667003","","CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)O","ZJYIVHWYSNWCSX-LBPRGKRZSA-N","6712312",NA,"PDBC46654","667003","Present"
-"NSC667004","","","","","","","","","","","","","","","","","","","","NSC667004","","CCOP(=O)(C1(CC(OC1CO)N2C=C(C(=O)NC2=O)C)O)OCC","CBBQEZRNJNAFQF-UHFFFAOYSA-N","381021",NA,"PDBC46655","667004","Present"
-"NSC667059","","","","","","","","","","","","","","","","","","","","NSC667059","","CC1=CC=NN1CCC2=C(C=C(C=C2)Cl)Cl.Cl","AUIBPCDFOKOKQU-UHFFFAOYSA-N","381038",NA,"PDBC46656","667059","Present"
-"NSC667061","","","","","","","","","","","","","","","","","","","","NSC667061","","CC1=NN(C=C1)CCC2=C(C=C(C=C2)OC)OC.Cl","BHGCOSZCEOTCSS-UHFFFAOYSA-N","381042",NA,"PDBC46657","667061","Present"
-"NSC667067","","","","","","","","","","","","","","","","","","","","NSC667067","","C1CN(CCN1CCC(=O)C=CC2=CC=CC=C2)CCC(=O)C=CC3=CC=CC=C3.Cl","AGWNQYLHHGCYRF-JZOPPWQGSA-N","6518597",NA,"PDBC46658","667067","Present"
-"NSC667228","","","","","","","","","","","","","","","","","","","","NSC667228","","CC1CC(=CC2=CC(=C(C=C2)O)OC)C(=O)C(=CC3=CC(=C(C=C3)O)OC)C1","KJKKTQIBPSRXAG-ODPUSEOTSA-N","1550358",NA,"PDBC46659","667228","Present"
-"NSC667250","","","","","","","","","","","","","","","","","","","","NSC667250","","CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)NC3=C(N2)NC4=C(N3)NC5=CC=CC=C5N4","NNWSOLSNMVNREH-UHFFFAOYSA-N","381092",NA,"PDBC46660","667250","Present"
-"NSC667278","","","","","","","","","","","","","","","","","","","","NSC667278","","CC1C(C(CC(O1)C2=C(C=CC3=CC=CC=C32)O)N(C)C)O","INFUOQUHVYEXTA-DLPPNQNASA-N","381114",NA,"PDBC46661","667278","Present"
-"NSC667383","","","","","","","","","","","","","","","","","","","","NSC667383","","CCOC=NC1=C(C(=CN1C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl)C#N","DORQLBNDVSFHRP-OYKKKHCWSA-N","6393227",NA,"PDBC46662","667383","Present"
-"NSC667444","","","","","","","","","","","","","","","","","","","","NSC667444","","","","",NA,"PDBC46663","667444","Present"
-"NSC667474","","","","","","","","","","","","","","","","","","","","NSC667474","","C1C(C(OC1N2C=C(C(=O)NC2=O)OC3=CC=CC=C3)CO)O","KVVHKGWRRCMZOE-UHFFFAOYSA-N","381156",NA,"PDBC46664","667474","Present"
-"NSC667475","","","","","","","","","","","","","","","","","","","","NSC667475","","C1C(C(OC1N2C=C(C(=O)NC2=O)OCC3=CC=CC=C3)CO)O","DTSODSYNNLANCF-UHFFFAOYSA-N","381157",NA,"PDBC46665","667475","Present"
-"NSC667476","","","","","","","","","","","","","","","","","","","","NSC667476","","C1C(C(OC1N2C=C(C(=O)NC2=O)OCCC3=CC=CC=C3)CO)O","ZJJFIMAIGKXEKX-UHFFFAOYSA-N","381158",NA,"PDBC46666","667476","Present"
-"NSC667477","","","","","","","","","","","","","","","","","","","","NSC667477","","C1C(C(OC1N2C=C(C(=O)NC2=O)OCCCC3=CC=CC=C3)CO)O","PKAUUFQQSOSZIW-UHFFFAOYSA-N","381159",NA,"PDBC46667","667477","Present"
-"NSC667478","","","","","","","","","","","","","","","","","","","","NSC667478","","C1C(C(OC1N2C=C(C(=O)NC2=O)OCC=CCC3=CC=CC=C3)CO)O","PXOKGKRKJRGYOJ-SNAWJCMRSA-N","5468280",NA,"PDBC46668","667478","Present"
-"NSC667479","","","","","","","","","","","","","","","","","","","","NSC667479","","C1CCC(CC1)COC2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O","VKYFOMLGBXMJCM-UHFFFAOYSA-N","381161",NA,"PDBC46669","667479","Present"
-"NSC667480","","","","","","","","","","","","","","","","","","","","NSC667480","","C1C(C(OC1N2C=C(C(=O)NC2=O)NN=NCC3=CC=CC=C3)CO)O","JRUQEYGKZKYIMP-UHFFFAOYSA-N","381162",NA,"PDBC46670","667480","Present"
-"NSC667481","","","","","","","","","","","","","","","","","","","","NSC667481","","C1C(C(OC1N2C=C(C(=O)NC2=O)NN=NCCC3=CC=CC=C3)CO)O","POWSBOPPGNZVHL-UHFFFAOYSA-N","381163",NA,"PDBC46671","667481","Present"
-"NSC667482","","","","","","","","","","","","","","","","","","","","NSC667482","","C1C(C(OC1N2C=C(C(=O)NC2=O)NN=NCCCC3=CC=CC=C3)CO)O","OJAUZFHLIDATKU-UHFFFAOYSA-N","381164",NA,"PDBC46672","667482","Present"
-"NSC667483","","","","","","","","","","","","","","","","","","","","NSC667483","","CCCCN=NNC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","HNJJSJWMDYAZOI-UHFFFAOYSA-N","381165",NA,"PDBC46673","667483","Present"
-"NSC667484","","","","","","","","","","","","","","","","","","","","NSC667484","","C1=CC=C(C=C1)OC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","JIDPXILNKWTMNY-UHFFFAOYSA-N","381166",NA,"PDBC46674","667484","Present"
-"NSC667485","","","","","","","","","","","","","","","","","","","","NSC667485","","C1=CC=C(C=C1)CCOC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","WPGOBQPMYGCVCM-UHFFFAOYSA-N","381167",NA,"PDBC46675","667485","Present"
-"NSC667486","","","","","","","","","","","","","","","","","","","","NSC667486","","C1=CC=C(C=C1)CCCOC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","AHKIVSIKOFWZQO-UHFFFAOYSA-N","381168",NA,"PDBC46676","667486","Present"
-"NSC667487","","","","","","","","","","","","","","","","","","","","NSC667487","","C1CCC(CC1)COC2C3C(C4C(C(C(O4)CO3)O)O)C(=O)NC2=O","SGIYEXIHUPTEBG-QWGCCUHESA-N","381169",NA,"PDBC46677","667487","Present"
-"NSC667505","","","","","","","","","","","","","","","","","","","","NSC667505","","COC(=O)C(C(C(=O)OC)OC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2)NC3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6","WNYBYCBZGXRPHS-RTOKGZNSSA-N","381175",NA,"PDBC46678","667505","Present"
-"NSC667516","","","","","","","","","","","","","","","","","","","","NSC667516","","CC(C)C(C(=O)NC(CO)C=CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1","WBDOQUGOLKEWFS-CYYVBXFOSA-N","5468283",NA,"PDBC46679","667516","Present"
-"NSC667519","","","","","","","","","","","","","","","","","","","","NSC667519","","C1CC2C(=O)OCC(C(=O)N3CCCC3C(=O)N2C1)NC(=O)CC4=CC=CC=C4","SNASQQZXAQOOIZ-GARXDOFDSA-N","381188",NA,"PDBC46680","667519","Present"
-"NSC667521","","","","","","","","","","","","","","","","","","","","NSC667521","","CC1C(=O)N2C(O1)(C3CCCN3C(=O)N2CC4=CC=CC=C4)O","RMNLLIJYSYVSMQ-BWGCTNMISA-N","6712314",NA,"PDBC46681","667521","Present"
-"NSC667522","","","","","","","","","","","","","","","","","","","","NSC667522","","C1CC2C(=O)NN(C(=O)N2C1)CC3=CC=CC=C3","XFQRZMGCAKEALC-NSHDSACASA-N","381191",NA,"PDBC46682","667522","Present"
-"NSC667523","","","","","","","","","","","","","","","","","","","","NSC667523","","CC1C(=O)OC(C(=O)N2CCCC2C(=O)N1)C(C)C","IVNUYEBMXBKLEN-UTLUCORTSA-N","6712315",NA,"PDBC46683","667523","Present"
-"NSC667524","","","","","","","","","","","","","","","","","","","","NSC667524","","C1CS(=O)(=O)NC1C(=O)O","CKMPIUWDWKULKJ-VKHMYHEASA-N","381193",NA,"PDBC46684","667524","Present"
-"NSC667526","","","","","","","","","","","","","","","","","","","","NSC667526","","CC1=CC(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=CC4=CC=CC=C43","KCKSNTWIIVFYIL-UHFFFAOYSA-N","381195",NA,"PDBC46685","667526","Present"
-"NSC667528","","","","","","","","","","","","","","","","","","","","NSC667528","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C(=C(C2=S)C#N)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","AFIDDLTZVBGWEE-UHFFFAOYSA-N","381197",NA,"PDBC46686","667528","Present"
-"NSC667529","","","","","","","","","","","","","","","","","","","","NSC667529","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C(=C(C2=S)C#N)C4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C)OC(=O)C","LKXWCEZCJGQEEH-UHFFFAOYSA-N","381198",NA,"PDBC46687","667529","Present"
-"NSC667532","","","","","","","","","","","","","","","","","","","","NSC667532","","C1CCC2=C(C1)C(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CO4","RXCLXNSXZYZMNY-UHFFFAOYSA-N","381201",NA,"PDBC46688","667532","Present"
-"NSC667534","","","","","","","","","","","","","","","","","","","","NSC667534","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","VLAKUWKCSQBCLQ-UHFFFAOYSA-N","380653",NA,"PDBC46689","667534","Present"
-"NSC667536","","","","","","","","","","","","","","","","","","","","NSC667536","","CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)CO)O)O)O)C","ORZAQZARWAHFMH-UHFFFAOYSA-N","381204",NA,"PDBC46690","667536","Present"
-"NSC667541","","","","","","","","","","","","","","","","","","","","NSC667541","","CC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","BRAOXIPLUVPZOV-UHFFFAOYSA-N","381208",NA,"PDBC46691","667541","Present"
-"NSC667544","","","","","","","","","","","","","","","","","","","","NSC667544","","CC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)CO)O)O)O)C","YPBDQSZHKUKVPU-UHFFFAOYSA-N","381210",NA,"PDBC46692","667544","Present"
-"NSC667550","","","","","","","","","","","","","","","","","","","","NSC667550","","CC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","QVTGJGCRDSYEJT-UHFFFAOYSA-N","381215",NA,"PDBC46693","667550","Present"
-"NSC667555","","","","","","","","","","","","","","","","","","","","NSC667555","","CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)Cl)C(=O)C","WFULAAMKZCMBHY-UHFFFAOYSA-N","381218",NA,"PDBC46694","667555","Present"
-"NSC667558","","","","","","","","","","","","","","","","","","","","NSC667558","","CC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","ZDMGDIIPXKOGTF-UHFFFAOYSA-N","381221",NA,"PDBC46695","667558","Present"
-"NSC667561","","","","","","","","","","","","","","","","","","","","NSC667561","","CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=CC4=CC=CC=C43)C(=O)C","KABGLUQHCDXHJE-UHFFFAOYSA-N","381224",NA,"PDBC46696","667561","Present"
-"NSC667644","","","","","","","","","","","","","","","","","","","","NSC667644","","C1CCN(CC1)CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-].Cl","RVMHSXWPLGSZOH-UHFFFAOYSA-N","381238",NA,"PDBC46697","667644","Present"
-"NSC667645","","","","","","","","","","","","","","","","","","","","NSC667645","","C1CC[N+](CC1)(CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])[O-].Cl","FUESXAKVEGFKGL-UHFFFAOYSA-N","381240",NA,"PDBC46698","667645","Present"
-"NSC667654","","","","","","","","","","","","","","","","","","","","NSC667654","","CCOC(=O)C=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","LLDHDLRDYXDJIH-PYCFMQQDSA-N","6300403",NA,"PDBC46699","667654","Present"
-"NSC667655","","","","","","","","","","","","","","","","","","","","NSC667655","","C1=CC=C(C=C1)C(=O)C=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","AIEKKBVEIGGSNX-MEFGMAGPSA-N","6296247",NA,"PDBC46700","667655","Present"
-"NSC667709","","","","","","","","","","","","","","","","","","","","NSC667709","","CN(C)C1=CC=[N+](C=C1)C2=NC(=NC3=C2N=CN3C4CC(C(O4)CO)O)N=C(C(F)(F)F)[O-]","LGGVWPOOAPXSTI-UHFFFAOYSA-N","9571869",NA,"PDBC46701","667709","Present"
-"NSC667722","","","","","","","","","","","","","","","","","","","","NSC667722","","CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","YBULWSINJFBFMG-UHFFFAOYSA-N","381286",NA,"PDBC46702","667722","Present"
-"NSC667727","","","","","","","","","","","","","","","","","","","","NSC667727","","CC1=CC=C(C=C1)N=NC2=C(N(C(=S)C(=C2C)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","IDZMRUFLQUNCKW-UHFFFAOYSA-N","381291",NA,"PDBC46703","667727","Present"
-"NSC667733","","","","","","","","","","","","","","","","","","","","NSC667733","","CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)OC)C)C3C(C(C(C(O3)CO)O)O)O)C#N","SLEOZLDFZRWZEA-UHFFFAOYSA-N","381296",NA,"PDBC46704","667733","Present"
-"NSC667734","","","","","","","","","","","","","","","","","","","","NSC667734","","CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)Cl)C)C3C(C(C(C(O3)CO)O)O)O)C#N","YPPXRESMIKWDBD-UHFFFAOYSA-N","381297",NA,"PDBC46705","667734","Present"
-"NSC667865","","","","","","","","","","","","","","","","","","","","NSC667865","","","","",NA,"PDBC46706","667865","Present"
-"NSC667866","","","","","","","","","","","","","","","","","","","","NSC667866","","CC(C(C1=CC=CC=C1)O)NC2=CC(=O)C(=CC2=O)NC(C)C(C3=CC=CC=C3)O","FUKRUPBHVFHBLV-TWJSWXTQSA-N","5468298",NA,"PDBC46707","667866","Present"
-"NSC667875","","","","","","","","","","","","","","","","","","","","NSC667875","","CC1=NC(=CC=C1)C=NNC(=S)N2CCCCC2","YFCZEYSSYGJTIZ-UVTDQMKNSA-N","5819197",NA,"PDBC46708","667875","Present"
-"NSC667878","","","","","","","","","","","","","","","","","","","","NSC667878","","CC(=NNC(=S)NCCCNC(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2","QUYFHTANMDPHOI-KOJZRSEWSA-N","54602082",NA,"PDBC46709","667878","Present"
-"NSC667879","","","","","","","","","","","","","","","","","","","","NSC667879","","CC(=NNC(=S)NCCCCNC(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=C2","RRCVTTIFYFLLQR-ZZZAPRPPSA-N","54608190",NA,"PDBC46710","667879","Present"
-"NSC667943","","","","","","","","","","","","","","","","","","","","NSC667943","","CN1C(=C(N=C1SC)C#N)N=CN(C)C","XZEBHUIRVGEOTE-WDZFZDKYSA-N","5914308",NA,"PDBC46711","667943","Present"
-"NSC667947","","","","","","","","","","","","","","","","","","","","NSC667947","","C1CC2=C(C(=CC(=C2)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NC1","COTJPEYQVLIPAK-UHFFFAOYSA-N","381402",NA,"PDBC46712","667947","Present"
-"NSC667949","","","","","","","","","","","","","","","","","","","","NSC667949","","CC1=CC2=C(C(=C1)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])NCCC2","JYEHSMOFQIEQPL-UHFFFAOYSA-N","381404",NA,"PDBC46713","667949","Present"
-"NSC667955","","","","","","","","","","","","","","","","","","","","NSC667955","","C1C(C(OC2=C1C(=CC(=C2)OS(=O)(=O)O)OS(=O)(=O)O)C3=CC(=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O.[K+]","LRZINWYCGFMRNI-LDXVYITESA-N","54608191",NA,"PDBC46714","667955","Present"
-"NSC668004","","","","","","","","","","","","","","","","","","","","NSC668004","","CC(C)C(C(=O)NC(C)C(=O)N1CCCC1C(=O)O)NC(=O)OC(C)(C)C","VCSAPTKLLRGQDY-UHFFFAOYSA-N","381416",NA,"PDBC46715","668004","Present"
-"NSC668013","","","","","","","","","","","","","","","","","","","","NSC668013","","CC(C)C(C(=O)NC(C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(=O)NC)NC(=O)C","WOLOJMUUEAXJOT-UHFFFAOYSA-N","381425",NA,"PDBC46716","668013","Present"
-"NSC668014","","","","","","","","","","","","","","","","","","","","NSC668014","","CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)C2CCCN2C(=O)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C","SKZOFFRZXFEXIO-UHFFFAOYSA-N","381426",NA,"PDBC46717","668014","Present"
-"NSC668294","","","","","","","","","","","","","","","","","","","","NSC668294","","CCCN(CCC)C(=S)NN=C(C)C1=CC=CC=C1O","SAVUTTHDKFCZOT-VBKFSLOCSA-N","135509178",NA,"PDBC46718","668294","Present"
-"NSC668299","","","","","","","","","","","","","","","","","","","","NSC668299","","CCN(CC)C(=S)NN=C(C1=CC=CC=C1)C2=CC=CC=N2","NGDTWGMNFOZDDX-MNDPQUGUSA-N","5494169",NA,"PDBC46719","668299","Present"
-"NSC668300","","","","","","","","","","","","","","","","","","","","NSC668300","","C1CCN(CC1)C(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","WNCDDLCNZKQXCV-JZJYNLBNSA-N","5494336",NA,"PDBC46720","668300","Present"
-"NSC668301","","","","","","","","","","","","","","","","","","","","NSC668301","","C1CCCN(CC1)C(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","RMVYAGRPWKVQOQ-UZYVYHOESA-N","5494337",NA,"PDBC46721","668301","Present"
-"NSC668323","","","","","","","","","","","","","","","","","","","","NSC668323","","C1=CC=C(C=C1)C(=NNC(=S)NC2=CC=CC=C2Cl)C3=CC=CC=N3","NUGHTOYKAXQEHF-NKFKGCMQSA-N","5465914",NA,"PDBC46722","668323","Present"
-"NSC668324","","","","","","","","","","","","","","","","","","","","NSC668324","","C1=CC=C(C=C1)C(=NNC(=S)NC2=CC(=CC=C2)Cl)C3=CC=CC=N3","DDMBEZBBDVOBMQ-NKFKGCMQSA-N","5465915",NA,"PDBC46723","668324","Present"
-"NSC668325","","","","","","","","","","","","","","","","","","","","NSC668325","","C1=CC=C(C=C1)C(=NNC(=S)NC2=CC=C(C=C2)Cl)C3=CC=CC=N3","ZCNFOECEQFCKQH-NKFKGCMQSA-N","5465916",NA,"PDBC46724","668325","Present"
-"NSC668328","","","","","","","","","","","","","","","","","","","","NSC668328","","CC1=CC=C(C=C1)NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","WWIYTSQTFSBURQ-NMWGTECJSA-N","5465919",NA,"PDBC46725","668328","Present"
-"NSC668329","","","","","","","","","","","","","","","","","","","","NSC668329","","COC1=CC=C(C=C1)NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","RLZRXWZKBWZLGC-FCDQGJHFSA-N","5465920",NA,"PDBC46726","668329","Present"
-"NSC668330","","","","","","","","","","","","","","","","","","","","NSC668330","","C1=CC=C(C=C1)C(=NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3","VSSBEXAOUHFQCZ-RELWKKBWSA-N","5465921",NA,"PDBC46727","668330","Present"
-"NSC668338","","","","","","","","","","","","","","","","","","","","NSC668338","","CC(=NNC(=S)N1CCCC1)C2=NC(=CC=C2)C(=NNC(=S)N3CCCC3)C","ZVFCVMQPIVKWNW-HHQODBOJSA-N","5904112",NA,"PDBC46728","668338","Present"
-"NSC668339","","","","","","","","","","","","","","","","","","","","NSC668339","","CC(=NNC(=S)N1CCCCC1)C2=NC(=CC=C2)C(=NNC(=S)N3CCCCC3)C","LWTRMNOCLPQUEK-KHFFFTKUSA-N","6141183",NA,"PDBC46729","668339","Present"
-"NSC668341","","","","","","","","","","","","","","","","","","","","NSC668341","","CCN(CC)C(=S)NN=C(C)C1=NC(=CC=C1)C(=NNC(=S)N(CC)CC)C","RMEASDWHURFFJN-HHQODBOJSA-N","6054794",NA,"PDBC46730","668341","Present"
-"NSC668356","","","","","","","","","","","","","","","","","","","","NSC668356","","CC(=NOC(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C","CUIQJIJPIXUCDY-QQNFCMCUSA-N","381567",NA,"PDBC46731","668356","Present"
-"NSC668357","","","","","","","","","","","","","","","","","","","","NSC668357","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)OC)OC(=O)OC","JPRPTQMTTDGMJZ-VXRWAFEHSA-N","381568",NA,"PDBC46732","668357","Present"
-"NSC668361","","","","","","","","","","","","","","","","","","","","NSC668361","","COC1=CC(=CC(=C1O)CN2CCOCC2)CNC3=NC4=CC=CC=C4N3CC5=CC=CC=C5.Cl","DPKROTCQWIWTLT-UHFFFAOYSA-N","381572",NA,"PDBC46733","668361","Present"
-"NSC668419","","","","","","","","","","","","","","","","","","","","NSC668419","","CC1=CC(=C2C(=C(C(=C2C(=C1)C)C(=CC(=O)OC)C(=O)OC)C)C)C","OIXVGVJMLRRSIB-MHWRWJLKSA-N","5468315",NA,"PDBC46734","668419","Present"
-"NSC668425","","","","","","","","","","","","","","","","","","","","NSC668425","","CCOC(=O)CCC(C(=O)NNC(=O)OC(C)(C)C)NC(=O)C(CCC(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C","SRTAWXPRNULWKA-UHFFFAOYSA-N","381612",NA,"PDBC46735","668425","Present"
-"NSC668429","","","","","","","","","","","","","","","","","","","","NSC668429","","CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)OC","JCYZBDUZROFVAE-UHFFFAOYSA-N","381616",NA,"PDBC46736","668429","Present"
-"NSC668461","","","","","","","","","","","","","","","","","","","","NSC668461","","CCOC(=O)CCC(C(=O)NN)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1.Cl","XTXNQOQICBUXJW-UHFFFAOYSA-N","381639",NA,"PDBC46737","668461","Present"
-"NSC668462","","","","","","","","","","","","","","","","","","","","NSC668462","","CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N.Cl","XOSJDAKYMMGWLY-UHFFFAOYSA-N","381641",NA,"PDBC46738","668462","Present"
-"NSC668525","","","","","","","","","","","","","","","","","","","","NSC668525","","C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCC4=CC=CC=[N+]4[O-].Cl","LVWOOJMWUJOGTB-UHFFFAOYSA-N","24202484",NA,"PDBC46739","668525","Present"
-"NSC668558","","","","","","","","","","","","","","","","","","","","NSC668558","","CCOC(=O)C(C=CC(=O)OC)(C(=O)OCC)N(CC#C)C(=O)C(F)(F)F","UWXIYFBJOOQHED-HJWRWDBZSA-N","5468321",NA,"PDBC46740","668558","Present"
-"NSC668578","","","","","","","","","","","","","","","","","","","","NSC668578","","CC(C)NCC(C1=CC(=C(C=C1NC(=O)CCC(=O)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O.Cl","XPHSFJFILKOFGR-UHFFFAOYSA-N","381717",NA,"PDBC46741","668578","Present"
-"NSC668582","","","","","","","","","","","","","","","","","","","","NSC668582","","CC(C)(C)OC(=O)NC(CS(=O)(=O)O)C(=O)O.[Na+]","KQWNFUFJUUQOIU-UHFFFAOYSA-N","54608578",NA,"PDBC46742","668582","Present"
-"NSC668822","","","","","","","","","","","","","","","","","","","","NSC668822","","CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C2N=C(NC3=O)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","AMSWKXJXTYPJKN-UHFFFAOYSA-N","135409217",NA,"PDBC46743","668822","Present"
-"NSC668823","","","","","","","","","","","","","","","","","","","","NSC668823","","CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","YZHKRXBIMOGRMG-UHFFFAOYSA-N","381751",NA,"PDBC46744","668823","Present"
-"NSC668824","","","","","","","","","","","","","","","","","","","","NSC668824","","CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=C(C(=NC2=O)N)I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","HJZKIBHFMSMROG-UHFFFAOYSA-N","381752",NA,"PDBC46745","668824","Present"
-"NSC668825","","","","","","","","","","","","","","","","","","","","NSC668825","","CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","STPFNZPGQPDBNI-UHFFFAOYSA-N","381753",NA,"PDBC46746","668825","Present"
-"NSC668827","","","","","","","","","","","","","","","","","","","","NSC668827","","CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","JEVRXFJEOXKKDH-UHFFFAOYSA-N","381755",NA,"PDBC46747","668827","Present"
-"NSC668828","","","","","","","","","","","","","","","","","","","","NSC668828","","CC(C)C(COC)N=CC(C)(C)C","FTSFWTGYRKIVBK-SNVBAGLBSA-N","381756",NA,"PDBC46748","668828","Present"
-"NSC668880","","","","","","","","","","","","","","","","","","","","NSC668880","","C1CC(=O)N(C1=O)OC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=C(C=C3)O)N.Cl","DOFFRNJBFCMRST-UHFFFAOYSA-N","381803",NA,"PDBC46749","668880","Present"
-"NSC668881","","","","","","","","","","","","","","","","","","","","NSC668881","","CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O)NC(=O)C(CCC(=O)OCC4=CC=CC=C4)N.Cl","ZMRUKDMVBCZMGI-UHFFFAOYSA-N","381805",NA,"PDBC46750","668881","Present"
-"NSC668885","","","","","","","","","","","","","","","","","","","","NSC668885","","C1=CC=C(C=C1)CC(C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)NC(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)N.Cl","UNHROQHYJHQJFR-UHFFFAOYSA-N","381811",NA,"PDBC46751","668885","Present"
-"NSC668894","","","","","","","","","","","","","","","","","","","","NSC668894","","CC(C)(C)OC(=O)[N+](=N)C(=O)C1CCC(=O)N1C(=O)OCC2=CC=CC=C2","MYRIMUXWWHWXLU-UHFFFAOYSA-N","381821",NA,"PDBC46752","668894","Present"
-"NSC669022","","","","","","","","","","","","","","","","","","","","NSC669022","","COC1=C(C=CC(=C1)C=CC=C2CCCC(=CC=CC3=CC(=C(C=C3)O)OC)C2=O)O","QTCFGIPIXZIJHC-NSKZZCLVSA-N","5431653",NA,"PDBC46753","669022","Present"
-"NSC669023","","","","","","","","","","","","","","","","","","","","NSC669023","","CC1CC(=CC=CC2=CC(=C(C=C2)O)OC)C(=O)C(=CC=CC3=CC(=C(C=C3)O)OC)C1","DMTSUNZUAPGJSW-IIVLXIMASA-N","5468330",NA,"PDBC46754","669023","Present"
-"NSC669033","","","","","","","","","","","","","","","","","","","","NSC669033","","CCCC[P+](CCCC)(CCCC)C(C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC.[Cl-]","CZZCHQXNPQJCOG-UHFFFAOYSA-M","381863",NA,"PDBC46755","669033","Present"
-"NSC669034","","","","","","","","","","","","","","","","","","","","NSC669034","","CC1=CN(C(=O)NC1=O)C(C(C(C(COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC","RXVDFCFZTKNZRJ-LAJSZSQTSA-N","381865",NA,"PDBC46756","669034","Present"
-"NSC669040","","","","","","","","","","","","","","","","","","","","NSC669040","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OP7(=S)SCCS7","PGTHKQMMKIJLAU-UHFFFAOYSA-N","381871",NA,"PDBC46757","669040","Present"
-"NSC669148","","","","","","","","","","","","","","","","","","","","NSC669148","","CC1CCC(C(C1)OC(=O)C(C(C2C(OC(O2)(C)C)C3COC(O3)(C)C)O)C(=O)OC4CC(CCC4C(C)C)C)C(C)C","JZTLVLJXRJOJGY-ZFBMNSHYSA-N","381885",NA,"PDBC46758","669148","Present"
-"NSC669173","","","","","","","","","","","","","","","","","","","","NSC669173","","C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O.Br","XWTHDGZYBCZPCW-UHFFFAOYSA-N","381921",NA,"PDBC46759","669173","Present"
-"NSC669254","","","","","","","","","","","","","","","","","","","","NSC669254","","CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]","ZHDLJKAHYWBZQM-UHFFFAOYSA-N","54604801",NA,"PDBC46760","669254","Present"
-"NSC669255","","","","","","","","","","","","","","","","","","","","NSC669255","","CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)O.[Na+]","STHXTMYTADGMCU-UHFFFAOYSA-N","54608208",NA,"PDBC46761","669255","Present"
-"NSC669256","","","","","","","","","","","","","","","","","","","","NSC669256","","CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)O)Cl.[Na+]","TYDWYGPYEPDAFZ-UHFFFAOYSA-N","54611275",NA,"PDBC46762","669256","Present"
-"NSC669258","","","","","","","","","","","","","","","","","","","","NSC669258","","CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)O.[Na+]","MOLRHVZHVLCWIT-UHFFFAOYSA-N","54604802",NA,"PDBC46763","669258","Present"
-"NSC669259","","","","","","","","","","","","","","","","","","","","NSC669259","","CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)O.[Na+]","QMSYIGDHZRFLOC-UHFFFAOYSA-N","54608686",NA,"PDBC46764","669259","Present"
-"NSC669261","","","","","","","","","","","","","","","","","","","","NSC669261","","CCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]","KUCHPHFXJVUGCX-UHFFFAOYSA-N","54608209",NA,"PDBC46765","669261","Present"
-"NSC669262","","","","","","","","","","","","","","","","","","","","NSC669262","","CCCCCCCCP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]","IFNMNXGRLZKRRG-UHFFFAOYSA-N","54608687",NA,"PDBC46766","669262","Present"
-"NSC669264","","","","","","","","","","","","","","","","","","","","NSC669264","","CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)Cl.[Na+]","WXFIZDHRFASUSQ-UHFFFAOYSA-N","54600922",NA,"PDBC46767","669264","Present"
-"NSC669269","","","","","","","","","","","","","","","","","","","","NSC669269","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CC(P(=O)(O)O)P(=O)(O)O)C(=O)O)C(=O)O.[Na+]","FFEFTHVRNFILFP-UHFFFAOYSA-N","54601668",NA,"PDBC46768","669269","Present"
-"NSC669270","","","","","","","","","","","","","","","","","","","","NSC669270","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O.[Na+]","SYDBXYYYNNGNOH-UHFFFAOYSA-N","54608688",NA,"PDBC46769","669270","Present"
-"NSC669274","","","","","","","","","","","","","","","","","","","","NSC669274","","CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCC(CO)O.Cl","UAYYCDNAPHQIQZ-UHFFFAOYSA-N","381962",NA,"PDBC46770","669274","Present"
-"NSC669313","","","","","","","","","","","","","","","","","","","","NSC669313","","","","",NA,"PDBC46771","669313","Present"
-"NSC669314","","","","","","","","","","","","","","","","","","","","NSC669314","","","","",NA,"PDBC46772","669314","Present"
-"NSC669317","","","","","","","","","","","","","","","","","","","","NSC669317","","C1CCN=C(NC1)NN=CC2=CC=CC=C2C(=O)O.I","WYFCMRZXZKQRMC-LFMIJCLESA-N","5468377",NA,"PDBC46773","669317","Present"
-"NSC669318","","","","","","","","","","","","","","","","","","","","NSC669318","","C1CN=C(N1)NN=CC2=CC=CC=C2C(=O)O.I","DBANFJLGCKMKTO-KIUKIJHYSA-N","5468379",NA,"PDBC46774","669318","Present"
-"NSC669319","","","","","","","","","","","","","","","","","","","","NSC669319","","C1CCN=C(NC1)N=NC2=C(NC3=CC=CC=C32)O.I","QAXHFCZLABQRCV-UHFFFAOYSA-N","381992",NA,"PDBC46775","669319","Present"
-"NSC669320","","","","","","","","","","","","","","","","","","","","NSC669320","","CN(C1=NCCCCN1)N=CC2=CC=CC=C2C(=O)O.I","POOMRFIEGWVMPH-LZMXEPDESA-N","9571870",NA,"PDBC46776","669320","Present"
-"NSC669321","","","","","","","","","","","","","","","","","","","","NSC669321","","CN(C1=NCCCCN1)N=CC2=CC=C(C=C2)Cl.I","JTKRSCZGVDWRQI-LZMXEPDESA-N","9571872",NA,"PDBC46777","669321","Present"
-"NSC669322","","","","","","","","","","","","","","","","","","","","NSC669322","","CN(C1=NCCCCN1)N=CC2=CC(=C(C=C2)Cl)Cl.I","LUHJUGGALQNEEN-WUBZALIBSA-N","9571874",NA,"PDBC46778","669322","Present"
-"NSC669323","","","","","","","","","","","","","","","","","","","","NSC669323","","CN(C1=NCCN1)N=CC2=CC(=C(C=C2)Cl)Cl.I","OILZURRPDJFYAZ-OYXUYBEVSA-N","9571876",NA,"PDBC46779","669323","Present"
-"NSC669324","","","","","","","","","","","","","","","","","","","","NSC669324","","CN(C1=NCCCCN1)N=CC2=CC=CC=N2.I","PIOBKRFCQFNEAT-QFHYWFJHSA-N","9571878",NA,"PDBC46780","669324","Present"
-"NSC669325","","","","","","","","","","","","","","","","","","","","NSC669325","","CN(C1=NCCCN1)N=CC2=CC=CC=N2.I","BYWMCQMPOYYBBV-NSPIFIKESA-N","9571880",NA,"PDBC46781","669325","Present"
-"NSC669326","","","","","","","","","","","","","","","","","","","","NSC669326","","CN(C1=NCCN1)N=CC2=CC=CC=N2.I","IPVYOOTZPKCUBH-XHIXCECLSA-N","9571882",NA,"PDBC46782","669326","Present"
-"NSC669327","","","","","","","","","","","","","","","","","","","","NSC669327","","C1CCN=C(NC1)NN=CC=NNC2=NCCCCN2.I","HCTPABUFTIKVQS-MQMNHWTGSA-N","9571884",NA,"PDBC46783","669327","Present"
-"NSC669328","","","","","","","","","","","","","","","","","","","","NSC669328","","C1CNC(=NC1)NN=CC=NNC2=NCCCN2.I","KTMSBSZDEPSUOK-OBQHEISASA-N","9571886",NA,"PDBC46784","669328","Present"
-"NSC669329","","","","","","","","","","","","","","","","","","","","NSC669329","","C1CN=C(N1)NN=CC=NNC2=NCCN2.I","POVGPSWSGWGHBB-HGYMEXNASA-N","9571888",NA,"PDBC46785","669329","Present"
-"NSC669330","","","","","","","","","","","","","","","","","","","","NSC669330","","CC(=NNC1=NCCCCN1)C=NNC2=NCCCCN2.I","JSXGYBJDZZZJES-XGMIBILOSA-N","9571890",NA,"PDBC46786","669330","Present"
-"NSC669331","","","","","","","","","","","","","","","","","","","","NSC669331","","CC(=NNC1=NCCCN1)C=NNC2=NCCCN2.I","YRMGCARSBPNRRJ-VZBBRVKZSA-N","9571892",NA,"PDBC46787","669331","Present"
-"NSC669332","","","","","","","","","","","","","","","","","","","","NSC669332","","CN(C1=NCCCCN1)N=CC=NN(C)C2=NCCCCN2.I","YYRJPOJSUCVIJH-BYCVLTJGSA-N","9571894",NA,"PDBC46788","669332","Present"
-"NSC669333","","","","","","","","","","","","","","","","","","","","NSC669333","","CN(C1=NCCCN1)N=CC=NN(C)C2=NCCCN2.I","UURMPXMDMOOBRI-MQMNHWTGSA-N","9571896",NA,"PDBC46789","669333","Present"
-"NSC669334","","","","","","","","","","","","","","","","","","","","NSC669334","","CN(C1=NCCN1)N=CC=NN(C)C2=NCCN2.I","RMUQQPGJWOIEDT-OBQHEISASA-N","9571898",NA,"PDBC46790","669334","Present"
-"NSC669336","","","","","","","","","","","","","","","","","","","","NSC669336","","C1CCN=C(NC1)NNC(=O)NC2=CC=C(C=C2)Cl.I","QOJQSGDKTIZRCY-UHFFFAOYSA-N","382026",NA,"PDBC46791","669336","Present"
-"NSC669337","","","","","","","","","","","","","","","","","","","","NSC669337","","C1CNC(=NC1)NNC(=S)NC2=CC=CC=C2.I","LFRAMNHARFKDOP-UHFFFAOYSA-N","5468372",NA,"PDBC46792","669337","Present"
-"NSC669339","","","","","","","","","","","","","","","","","","","","NSC669339","","CNC(=S)NNC1=NCCCCN1.I","DEBMOJMTQZALRV-UHFFFAOYSA-N","5468374",NA,"PDBC46793","669339","Present"
-"NSC669340","","","","","","","","","","","","","","","","","","","","NSC669340","","CNC(=S)NNC1=NCCCN1.I","ACHUILJIJOOOAT-UHFFFAOYSA-N","5468375",NA,"PDBC46794","669340","Present"
-"NSC669341","","","","","","","","","","","","","","","","","","","","NSC669341","","C1CCN=C(NC1)NNC(=S)NC2=CC=C(C=C2)Cl.I","LPJYPUCBFLJGCM-UHFFFAOYSA-N","5468376",NA,"PDBC46795","669341","Present"
-"NSC669342","","","","","","","","","","","","","","","","","","","","NSC669342","","CN(C1=NCCCCN1)NC(=O)C2=CC=C(C=C2)Cl.I","JJUNITCRUAPDIP-UHFFFAOYSA-N","382038",NA,"PDBC46796","669342","Present"
-"NSC669343","","","","","","","","","","","","","","","","","","","","NSC669343","","CN(C1=NCCCCN1)NC(=O)C2=CC=CS2.I","ZQDOPLUEJQGJQG-UHFFFAOYSA-N","382040",NA,"PDBC46797","669343","Present"
-"NSC669344","","","","","","","","","","","","","","","","","","","","NSC669344","","CN(C1=NCCCN1)NC(=O)C2=CC=CS2.I","MBAYNBYFBZADTO-UHFFFAOYSA-N","382042",NA,"PDBC46798","669344","Present"
-"NSC669345","","","","","","","","","","","","","","","","","","","","NSC669345","","CN(C1=NCCN1)NC(=O)C2=CC=CS2.I","DFFZRNCHZBWBMZ-UHFFFAOYSA-N","382044",NA,"PDBC46799","669345","Present"
-"NSC669346","","","","","","","","","","","","","","","","","","","","NSC669346","","C1CCN=C(NC1)NN=CC2=CC=CC=C2C(=O)O.I","WYFCMRZXZKQRMC-QOVZSLTQSA-N","5468336",NA,"PDBC46800","669346","Present"
-"NSC669347","","","","","","","","","","","","","","","","","","","","NSC669347","","C1CN=C(N1)NN=CC2=CC=CC=C2C(=O)O.I","DBANFJLGCKMKTO-FJUODKGNSA-N","5468338",NA,"PDBC46801","669347","Present"
-"NSC669348","","","","","","","","","","","","","","","","","","","","NSC669348","","CC(C)C(=NNC)C=CC1=CC=CC=C1","LTKVSEMUZWWVNX-OFPSORBISA-N","5934497",NA,"PDBC46802","669348","Present"
-"NSC669376","","","","","","","","","","","","","","","","","","","","NSC669376","","CCN(CC)C1=NC=NC2=C1N=CN2C3CC(C(O3)CO[Si](C)(C)C(C)(C)C)OP(=O)(OCC)OCC","ABAHDYXYXVVXMY-UHFFFAOYSA-N","382062",NA,"PDBC46803","669376","Present"
-"NSC669377","","","","","","","","","","","","","","","","","","","","NSC669377","","CCOP(=O)(OCC)OC1CC(OC1CO[Si](C)(C)C(C)(C)C)N2C=C(C(=O)N(C2=O)C)C","RDJGKXVVKCSTOD-UHFFFAOYSA-N","382063",NA,"PDBC46804","669377","Present"
-"NSC669442","","","","","","","","","","","","","","","","","","","","NSC669442","","CC1=CC=C(C=C1)C=C2CN(CC3=C2NC(=S)NC3C4=CC=C(C=C4)C)C.Cl","ZBENHTAIYIZBTA-NNTHFVATSA-N","5468387",NA,"PDBC46805","669442","Present"
-"NSC669443","","","","","","","","","","","","","","","","","","","","NSC669443","","CN1CC(=CC2=CC=CC=C2Cl)C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4Cl.Cl","USZHGDCXYCZTFP-KMZJGFRYSA-N","5468389",NA,"PDBC46806","669443","Present"
-"NSC669444","","","","","","","","","","","","","","","","","","","","NSC669444","","CN1CC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C(C1)C(NC(=S)N3)C4=CC(=C(C(=C4)OC)OC)OC.Cl","LFVOLHDOIKTUJG-XIDBHWPPSA-N","5468391",NA,"PDBC46807","669444","Present"
-"NSC669458","","","","","","","","","","","","","","","","","","","","NSC669458","","CC(=C(C)CC1SCCCS1)CC2SCCCS2","CRVSHIMXJLJXGI-VAWYXSNFSA-N","5468393",NA,"PDBC46808","669458","Present"
-"NSC669582","","","","","","","","","","","","","","","","","","","","NSC669582","","CCOP(=O)(C)C(CC1=CC(=C(C=C1)OC)OC)N.C(=O)(C(=O)O)O","CLOWKHNCBQQHMH-UHFFFAOYSA-N","382137",NA,"PDBC46809","669582","Present"
-"NSC669583","","","","","","","","","","","","","","","","","","","","NSC669583","","CC(=O)N1C=C(C2=CC=CC=C21)C=C(C(=O)OC)P(=O)(OC)OC","NJLUWSFNNODHOF-OQLLNIDSSA-N","5468396",NA,"PDBC46810","669583","Present"
-"NSC669585","","","","","","","","","","","","","","","","","","","","NSC669585","","COP(=O)(C(=CC1=CNC2=CC=CC=C21)C(=O)O)OC","RSZCOKNQGBVIPH-KPKJPENVSA-N","5468397",NA,"PDBC46811","669585","Present"
-"NSC669603","","","","","","","","","","","","","","","","","","","","NSC669603","","CN(C)CCNC1=NC2=[N+](ON=C2C3=CC=CC=C31)[O-].OCl(=O)(=O)=O","RNWOWBCLCXCVPH-UHFFFAOYSA-N","135440005",NA,"PDBC46812","669603","Present"
-"NSC669610","","","","","","","","","","","","","","","","","","","","NSC669610","","CC(C)(C)C(COC)N=CN1CCCC2=CC=CC=C2C1CCCCl","NFEDMTNADVWLPN-XJDOXCRVSA-N","382162",NA,"PDBC46813","669610","Present"
-"NSC669615","","","","","","","","","","","","","","","","","","","","NSC669615","","CC1=C2C(=NC(=NC2=NC=C1CN(C)C3=CC(=CC(=C3)OC)OC)N)N.Cl","GIXJMIDIKQXNIS-UHFFFAOYSA-N","382164",NA,"PDBC46814","669615","Present"
-"NSC669627","","","","","","","","","","","","","","","","","","","","NSC669627","","CCOC(=O)C(=CC1=CN(C2=CC=CC=C21)C(=O)C)P(=O)(C)OCC","XNEKNLQBLPJNNT-GZTJUZNOSA-N","5468400",NA,"PDBC46815","669627","Present"
-"NSC669637","","","","","","","","","","","","","","","","","","","","NSC669637","","CCOC(=O)C(=CC1=CN(C2=CC=CC=C21)C(=O)C)P(=O)(OC)OC","GMSYMTOIHWKHQD-YBEGLDIGSA-N","20835102",NA,"PDBC46816","669637","Present"
-"NSC669654","","","","","","","","","","","","","","","","","","","","NSC669654","","CCC(C(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)NC(C)C4=CC=CC=C4.Cl","PJKOLSDRKXPNKA-UHFFFAOYSA-N","382194",NA,"PDBC46817","669654","Present"
-"NSC669655","","","","","","","","","","","","","","","","","","","","NSC669655","","C1CC(C(C1)NC(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F","FNHDDRPVUJEQQQ-MSOLQXFVSA-N","382196",NA,"PDBC46818","669655","Present"
-"NSC669657","","","","","","","","","","","","","","","","","","","","NSC669657","","C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)N.C(=O)(C(F)(F)F)O","VAVHAFJBUXTBIT-UHFFFAOYSA-N","382198",NA,"PDBC46819","669657","Present"
-"NSC669658","","","","","","","","","","","","","","","","","","","","NSC669658","","CCC(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O)NC(C)C4=CC=CC=C4.Cl","VMQJGQPXAOKPTE-UHFFFAOYSA-N","22210515",NA,"PDBC46820","669658","Present"
-"NSC669659","","","","","","","","","","","","","","","","","","","","NSC669659","","CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)NC2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)N)NC(=O)OC(C)(C)C","RIIFZWGEKKTRPK-ZWSWPSKSSA-N","6712327",NA,"PDBC46821","669659","Present"
-"NSC669667","","","","","","","","","","","","","","","","","","","","NSC669667","","C1=CC=C2C(=C1)C(=O)N(C2=O)C(COC3=CC=C(C=C3)N)O.Cl","QAUOXZDMVUDSHQ-UHFFFAOYSA-N","382208",NA,"PDBC46822","669667","Present"
-"NSC669686","","","","","","","","","","","","","","","","","","","","NSC669686","","CC(=O)NC(=CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)P(=O)(OC)OC","MFFGHMILHKQHPR-DIBXZPPDSA-N","5468403",NA,"PDBC46823","669686","Present"
-"NSC669714","","","","","","","","","","","","","","","","","","","","NSC669714","","CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)NN)NC(=O)OCC2=CC=CC=C2.Cl","KIBSZXSHLOUGFL-UHFFFAOYSA-N","382259",NA,"PDBC46824","669714","Present"
-"NSC669715","","","","","","","","","","","","","","","","","","","","NSC669715","","CCCCCCNCCC1=CN=CN1.Cl","MITAKEMJLYPOGL-UHFFFAOYSA-N","382261",NA,"PDBC46825","669715","Present"
-"NSC669720","","","","","","","","","","","","","","","","","","","","NSC669720","","C1CC(C2C(C(C(CN2C1)O)O)O)O.Cl","CQKIPUSVCYSFPK-DOHLFCCESA-N","382266",NA,"PDBC46826","669720","Present"
-"NSC669721","","","","","","","","","","","","","","","","","","","","NSC669721","","C1CC(C2C(C(C(CN2C1)O)O)O)O.Cl","CQKIPUSVCYSFPK-RGVWZYHPSA-N","382268",NA,"PDBC46827","669721","Present"
-"NSC669722","","","","","","","","","","","","","","","","","","","","NSC669722","","C1CCN2CC(C(C(C2C1)O)O)O","MBSUOCBPGKTHFN-SRKTWWLUSA-N","382269",NA,"PDBC46828","669722","Present"
-"NSC669732","","","","","","","","","","","","","","","","","","","","NSC669732","","CN(C)CC1CCCC(=CC2=CC=CC=C2)C1=O.Cl","VDNANGLMBUJDHM-JHGYPSGKSA-N","5468410",NA,"PDBC46829","669732","Present"
-"NSC669733","","","","","","","","","","","","","","","","","","","","NSC669733","","CC1=CC=C(C=C1)C=C2CCCC(C2=O)CN(C)C.Cl","SDDCNDPETIOTRM-KRWCAOSLSA-N","5468412",NA,"PDBC46830","669733","Present"
-"NSC669734","","","","","","","","","","","","","","","","","","","","NSC669734","","CN(C)CC1CCCC(=CC2=CC=C(C=C2)N(C)C)C1=O.Cl","ABRFFZMRWOCFPK-JRUHLWALSA-N","5468414",NA,"PDBC46831","669734","Present"
-"NSC669735","","","","","","","","","","","","","","","","","","","","NSC669735","","C1CCN(CC1)CC2CCCC(=CC3=CC=CC=C3)C2=O.Cl","LDTQHCRIFCOEKX-KLSJZZFUSA-N","5468416",NA,"PDBC46832","669735","Present"
-"NSC669736","","","","","","","","","","","","","","","","","","","","NSC669736","","CC1=CC=C(C=C1)C=C2CCCC(C2=O)CN3CCCCC3.Cl","GIPVTEBCQWGQBA-LSJACRKWSA-N","5468418",NA,"PDBC46833","669736","Present"
-"NSC669737","","","","","","","","","","","","","","","","","","","","NSC669737","","CC(C)(CN1CCCCC1)C(=O)C=CC2=C(C=CC=C2Cl)Cl.Cl","JRCMDJGCDUFDDE-RRABGKBLSA-N","6518732",NA,"PDBC46834","669737","Present"
-"NSC669770","","","","","","","","","","","","","","","","","","","","NSC669770","","CC(C)(C)OC(=O)NCCCCC(N)NC(=O)C1=CC=CC=C1.C(=O)(C(F)(F)F)O","XETAFYVVZMBZFK-UHFFFAOYSA-N","382309",NA,"PDBC46835","669770","Present"
-"NSC669774","","","","","","","","","","","","","","","","","","","","NSC669774","","CC(C)CC(C(=O)NC(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N)NC=O.C(=O)(C(F)(F)F)O","JSIBIVJXBDUTDM-UHFFFAOYSA-N","382314",NA,"PDBC46836","669774","Present"
-"NSC669775","","","","","","","","","","","","","","","","","","","","NSC669775","","CC(C)CC(C(=O)N)C(=O)NC(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N.C(=O)(C(F)(F)F)O","OZACVIGVKBZLFJ-UHFFFAOYSA-N","382316",NA,"PDBC46837","669775","Present"
-"NSC669781","","","","","","","","","","","","","","","","","","","","NSC669781","","COC(=O)C1(CCCCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","SLFPQJQHAFCSDP-UHFFFAOYSA-N","382322",NA,"PDBC46838","669781","Present"
-"NSC669818","","","","","","","","","","","","","","","","","","","","NSC669818","","CC1CC1(C(=O)OC)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C","QASULDDAZPYKDO-SSDBIDGISA-N","382349",NA,"PDBC46839","669818","Present"
-"NSC669937","","","","","","","","","","","","","","","","","","","","NSC669937","","C1=CC=C(C=C1)C#CSC2=C(SC(=C(C3=CC=CC=C3)SC#CC4=CC=CC=C4)S2)C5=CC=CC=C5","VNCHISOQQPHCLQ-UUDCSCGESA-N","5468420",NA,"PDBC46840","669937","Present"
-"NSC669964","","","","","","","","","","","","","","","","","","","","NSC669964","","CC1C(C(=O)OC(O1)C(C)(C)C)C(C2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4","ARKDPYIAHWYBRB-AECVFZFPSA-N","382406",NA,"PDBC46841","669964","Present"
-"NSC669978","","","","","","","","","","","","","","","","","","","","NSC669978","","CC(=O)C=C(C=NO)C1=CC=CC=C1","FZHNVHXFXNYZMP-NTLHZVPKSA-N","17387198",NA,"PDBC46842","669978","Present"
-"NSC669979","","","","","","","","","","","","","","","","","","","","NSC669979","","CC(=NO)CC(C=NO)(C1=CC=CC=C1)O","YPDDLKPWPQSEFM-UQXQTEIVSA-N","54608137",NA,"PDBC46843","669979","Present"
-"NSC669981","","","","","","","","","","","","","","","","","","","","NSC669981","","CC1(CC2C(=NO)CCCC2=[N+]1[O-])N3CCOCC3","TWKPIJREXZINBS-KAMYIIQDSA-N","5465962",NA,"PDBC46844","669981","Present"
-"NSC669982","","","","","","","","","","","","","","","","","","","","NSC669982","","C1CCC2(C(C1)C3(C(=NO)CCCC3=[N+]2[O-])O)N4CCOCC4","RVDDMZVJRQNLED-LGMDPLHJSA-N","5465963",NA,"PDBC46845","669982","Present"
-"NSC669983","","","","","","","","","","","","","","","","","","","","NSC669983","","CC1=NOC2(C1)C(=NO)CCCC2=NO","WKDUYVGCDCDJJN-AMMQDNIMSA-N","9571901",NA,"PDBC46846","669983","Present"
-"NSC669995","","","","","","","","","","","","","","","","","","","","NSC669995","","C1CN(CCC1C2CCN(CC2)CC3=CC=CC4=CC=CC=C43)CC5=CC=CC6=CC=CC=C65.Cl","QYVDTIYZIDAHFT-UHFFFAOYSA-N","382428",NA,"PDBC46847","669995","Present"
-"NSC670004","","","","","","","","","","","","","","","","","","","","NSC670004","","CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC3CCC4C3C=CC4","VWXKZFFUVFUIOE-WYGFYTFQSA-N","382438",NA,"PDBC46848","670004","Present"
-"NSC670005","","","","","","","","","","","","","","","","","","","","NSC670005","","CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC3CCC4C3C=CC4","VWXKZFFUVFUIOE-JDGDGYACSA-N","382439",NA,"PDBC46849","670005","Present"
-"NSC670007","","","","","","","","","","","","","","","","","","","","NSC670007","","CC(=O)OCC1C2C(C(C(O1)OC3C(C=COC3COC(=O)C)OC(=O)C)OC(=O)C)OC(O2)(C)C","DJEXDNPNURAIBY-VQIIVBDDSA-N","382441",NA,"PDBC46850","670007","Present"
-"NSC670009","","","","","","","","","","","","","","","","","","","","NSC670009","","C1C2C(C(CO2)O)OC1NC3=CC=CC=N3","BOLBUQFPGMKCEV-UHFFFAOYSA-N","382443",NA,"PDBC46851","670009","Present"
-"NSC670010","","","","","","","","","","","","","","","","","","","","NSC670010","","COC1C2CCCCCCC(C(C2(C(C(=O)OC)O)C(=O)OC)O1)O","QRAXLURWTQDKIH-FBPPNQMBSA-N","6712330",NA,"PDBC46852","670010","Present"
-"NSC670049","","","","","","","","","","","","","","","","","","","","NSC670049","","C1C(=CC2=CC(=CC=C2)Br)C(=O)C(=CC3=CC(=CC=C3)Br)CS1","HGFNERWBYXJBFK-BGPOSVGRSA-N","5917916",NA,"PDBC46853","670049","Present"
-"NSC670052","","","","","","","","","","","","","","","","","","","","NSC670052","","COC1=C(C(=C(C=C1)C=C2CSCC(=CC3=C(C(=C(C=C3)OC)OC)OC)C2=O)OC)OC","ZMHGZRIEKXTPDW-JYFOCSDGSA-N","6143850",NA,"PDBC46854","670052","Present"
-"NSC670053","","","","","","","","","","","","","","","","","","","","NSC670053","","C1C(=CC2=CC=CC=C2)C3=C(CS1)C(NC(=S)N3)C4=CC=CC=C4","CSBPYIQKOFCNHJ-LFIBNONCSA-N","5913878",NA,"PDBC46855","670053","Present"
-"NSC670054","","","","","","","","","","","","","","","","","","","","NSC670054","","C1C(=CC2=CC(=CC=C2)Br)C3=C(CS1)C(NC(=S)N3)C4=CC(=CC=C4)Br","NTJIFUIDTXOVKI-VGOFMYFVSA-N","6509763",NA,"PDBC46856","670054","Present"
-"NSC670055","","","","","","","","","","","","","","","","","","","","NSC670055","","CC(C)C1=CC=C(C=C1)C=C2CSCC3=C2NC(=S)NC3C4=CC=C(C=C4)C(C)C","VWMQARYYHFGNNJ-LPYMAVHISA-N","5785265",NA,"PDBC46857","670055","Present"
-"NSC670056","","","","","","","","","","","","","","","","","","","","NSC670056","","C1C(=CC2=CC=C(C=C2)Cl)C3=C(CS1)C(NC(=S)N3)C4=CC=C(C=C4)Cl","CQMQYXXDMVGBTN-NTEUORMPSA-N","5892196",NA,"PDBC46858","670056","Present"
-"NSC670059","","","","","","","","","","","","","","","","","","","","NSC670059","","CC(C)C1=CC=C(C=C1)C=C2CSCC3=C2N=C4N(C3C5=CC=C(C=C5)C(C)C)C(=O)CS4","JZMSJEKJBWAENY-YDZHTSKRSA-N","5912174",NA,"PDBC46859","670059","Present"
-"NSC670060","","","","","","","","","","","","","","","","","","","","NSC670060","","C1C(=CC2=CC=C(C=C2)Cl)C3=C(CS1)C(N4C(=O)CSC4=N3)C5=CC=C(C=C5)Cl","HSKGUULHAMLQAG-OQLLNIDSSA-N","6271252",NA,"PDBC46860","670060","Present"
-"NSC670090","","","","","","","","","","","","","","","","","","","","NSC670090","","CC1(N(C(=NC(=NC)NC)N(P1(=O)O)C)C)C","LSAAPMGVZGYEFA-XYOKQWHBSA-N","6477475",NA,"PDBC46861","670090","Present"
-"NSC670115","","","","","","","","","","","","","","","","","","","","NSC670115","","C1=CN(C(=NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C(F)(F)F)C(F)(F)F)N=C1)C(=O)C(C(F)(F)F)C(F)(F)F","FZPJBAGCZIRYTI-ZHSUKTGHSA-N","6477476",NA,"PDBC46862","670115","Present"
-"NSC670117","","","","","","","","","","","","","","","","","","","","NSC670117","","CC(C)N(C(C)C)C(=NC(=O)NC1=CC=CC=C1C(F)(F)F)F","VQOGMEDMOKWWAL-BKUYFWCQSA-N","5888697",NA,"PDBC46863","670117","Present"
-"NSC670143","","","","","","","","","","","","","","","","","","","","NSC670143","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4(C3(CCC(C4)OC(=O)C)C)Br)C","MISWYRSVANIBQJ-AGDTZQEUSA-N","6712331",NA,"PDBC46864","670143","Present"
-"NSC670154","","","","","","","","","","","","","","","","","","","","NSC670154","","CC1(C(CC23C1C(CC(C2)(CCC3)C)O)OC(=O)C4=CC=CC=C4)C","OXQJARXRUUEAIC-JJJIQTISSA-N","382544",NA,"PDBC46865","670154","Present"
-"NSC670155","","","","","","","","","","","","","","","","","","","","NSC670155","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=NNC(=O)C)C4(C)C)C)C","RCFQMFZAFWOVMT-FSRJNIBPSA-N","54611747",NA,"PDBC46866","670155","Present"
-"NSC670156","","","","","","","","","","","","","","","","","","","","NSC670156","","CC1(CC2C(C1=NO)C3(CCCC2(C3O)C)C)C","JZXXWJSJLIKBEU-WJDWOHSUSA-N","5465967",NA,"PDBC46867","670156","Present"
-"NSC670159","","","","","","","","","","","","","","","","","","","","NSC670159","","CC1(CC2C1CCC(C(CCC2=C)[N+](=O)[O-])(C)N=O)C","IXMGPRFXGAEAOT-HNQLUHSGSA-N","382549",NA,"PDBC46868","670159","Present"
-"NSC670160","","","","","","","","","","","","","","","","","","","","NSC670160","","C1CC2CC1CC2=NNS(=O)(=O)C3=CC=CC=C3","VGQTXZFAKZVDOD-BUHFOSPRSA-N","5465968",NA,"PDBC46869","670160","Present"
-"NSC670166","","","","","","","","","","","","","","","","","","","","NSC670166","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(CC2(CCC4C3CC4(C)C)C)O","BSQVUDMFVHHRDL-XHCVORMPSA-N","9571902",NA,"PDBC46870","670166","Present"
-"NSC670168","","","","","","","","","","","","","","","","","","","","NSC670168","","CC1(C(C(=O)C(C(N1C)(C)C)Br)Br)C.Br","XCFLNKYYFXDSFD-UHFFFAOYSA-N","382559",NA,"PDBC46871","670168","Present"
-"NSC670170","","","","","","","","","","","","","","","","","","","","NSC670170","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3CCC(C3)C2C4=CC=CC=C4","KMLJCDIFQNRJOC-MRCUWXFGSA-N","5465970",NA,"PDBC46872","670170","Present"
-"NSC670173","","","","","","","","","","","","","","","","","","","","NSC670173","","CC1(C2CCC(C2)C1=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C","OVJRVSJSFZMTEJ-VKAVYKQESA-N","5465971",NA,"PDBC46873","670173","Present"
-"NSC670184","","","","","","","","","","","","","","","","","","","","NSC670184","","CN1C2CC(=O)CC1C(C2O)O","BBZXQEXUIOSPAN-HYNHDVCUSA-N","6712333",NA,"PDBC46874","670184","Present"
-"NSC670185","","","","","","","","","","","","","","","","","","","","NSC670185","","CN1C2CC(=O)CC1C3C2OC(O3)C4=CC=CC=C4","SZAVMMHZUZXKAY-QRFUTXMCSA-N","382574",NA,"PDBC46875","670185","Present"
-"NSC670186","","","","","","","","","","","","","","","","","","","","NSC670186","","CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CC(=C)CC2N3C","AVOJQKKMOHRDQQ-BCLQGDPASA-N","382575",NA,"PDBC46876","670186","Present"
-"NSC670187","","","","","","","","","","","","","","","","","","","","NSC670187","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NS(=O)(=O)C)C)C","QEFHCQUPFDFRLN-PNGUHQLESA-N","382576",NA,"PDBC46877","670187","Present"
-"NSC670194","","","","","","","","","","","","","","","","","","","","NSC670194","","","","",NA,"PDBC46878","670194","Present"
-"NSC670238","","","","","","","","","","","","","","","","","","","","NSC670238","","C1=CC=C(C=C1)CN=CNC(=C(C#N)N)C#N","UQZZHPMRAWQUAV-QXMHVHEDSA-N","5468432",NA,"PDBC46879","670238","Present"
-"NSC670240","","","","","","","","","","","","","","","","","","","","NSC670240","","C(CO)N=CNC(=C(C#N)N)C#N","BSQITYQYNFVRMN-SREVYHEPSA-N","5468434",NA,"PDBC46880","670240","Present"
-"NSC670241","","","","","","","","","","","","","","","","","","","","NSC670241","","CC(=O)NNC=NC(=C(C#N)N)C#N","QCEVBPISDUCPGZ-SREVYHEPSA-N","5468435",NA,"PDBC46881","670241","Present"
-"NSC670242","","","","","","","","","","","","","","","","","","","","NSC670242","","C1=CC=C(C(=C1)N)NC=NC(=C(C#N)N)C#N","HSCBFLVDMFBWQE-LUAWRHEFSA-N","5468436",NA,"PDBC46882","670242","Present"
-"NSC670243","","","","","","","","","","","","","","","","","","","","NSC670243","","C1=CC(=CC=C1N)NC=NC(=C(C#N)N)C#N","KPKLCXPLFDJFTK-KHPPLWFESA-N","5468437",NA,"PDBC46883","670243","Present"
-"NSC670319","","","","","","","","","","","","","","","","","","","","NSC670319","","C1CC2=CC3=C(CCC3)C(=C2C1)C=NO","QIUDNTNVDYAZPN-ZSOIEALJSA-N","5919917",NA,"PDBC46884","670319","Present"
-"NSC670345","","","","","","","","","","","","","","","","","","","","NSC670345","","COC(=O)C1=CC=CC=C1C=C2CC3=C(C2=O)C=C4CCCC4=C3","BTPLNWCEBSXYRP-LICLKQGHSA-N","5919283",NA,"PDBC46885","670345","Present"
-"NSC670346","","","","","","","","","","","","","","","","","","","","NSC670346","","COC(=O)C1=CC(=CC2=C1CCC2)C=C3CC4=C(C3=O)C=C5CCCC5=C4","SLVZSMHBJJVTAJ-DJKKODMXSA-N","5924428",NA,"PDBC46886","670346","Present"
-"NSC670347","","","","","","","","","","","","","","","","","","","","NSC670347","","COC(=O)C1=CC=CC=C1C=C2CC3=C(C2=O)C4=C(CCCC4)C=C3","BAQAPUWGGVBWDQ-SFQUDFHCSA-N","5932988",NA,"PDBC46887","670347","Present"
-"NSC670362","","","","","","","","","","","","","","","","","","","","NSC670362","","C1CCC(CC1)SC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N","PDBXBADUAMLWQV-UHFFFAOYSA-N","382713",NA,"PDBC46888","670362","Present"
-"NSC670388","","","","","","","","","","","","","","","","","","","","NSC670388","","CCC(C(=O)NCP(=O)(OCC1=CC=C(C=C1)[N+](=O)[O-])OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C","HWNVVVWWPODNPW-NRFANRHFSA-N","382717",NA,"PDBC46889","670388","Present"
-"NSC670390","","","","","","","","","","","","","","","","","","","","NSC670390","","CCCCCC[N+]1=NOC(=C1C2=CC=C(C=C2)C3=C(ON=[N+]3CCCCCC)N)N.[Cl-]","PUZYARUAKVOIMB-UHFFFAOYSA-N","382719",NA,"PDBC46890","670390","Present"
-"NSC670391","","","","","","","","","","","","","","","","","","","","NSC670391","","C1CC(C2C(C1O)C3C4=CC=CC=C4C2S3)O","VXHGMVXYYKYEAD-XBJBOSPKSA-N","382721",NA,"PDBC46891","670391","Present"
-"NSC670392","","","","","","","","","","","","","","","","","","","","NSC670392","","CC(=O)OC1C=CC(C2C1C3C4C=CC=CC4C2S3=O)OC(=O)C","JBDPVPSAXYWOAD-NQRKNDLSSA-N","382722",NA,"PDBC46892","670392","Present"
-"NSC670393","","","","","","","","","","","","","","","","","","","","NSC670393","","CC(=O)OC1CCC(C2C1C3C4=CC=CC=C4C2S3)OC(=O)C","IWQJIJAJNUZRDV-ZBONBFHTSA-N","382723",NA,"PDBC46893","670393","Present"
-"NSC670422","","","","","","","","","","","","","","","","","","","","NSC670422","","COC(=O)C=CC1=CC2=C(CC3(C2)CC4=C(C3)C=C(C=C4)C=CC(=O)OC)C=C1","UFAVLSDSJVPSIE-VTBWALSUSA-N","54611283",NA,"PDBC46894","670422","Present"
-"NSC670532","","","","","","","","","","","","","","","","","","","","NSC670532","","CC1=CC=C(C=C1)SCC(C(C)F)OCN2C=NC3=C2N=C(N=C3Cl)N","UHXLNVMBZUCBEM-AMGKYWFPSA-N","382804",NA,"PDBC46895","670532","Present"
-"NSC670535","","","","","","","","","","","","","","","","","","","","NSC670535","","CC1=CC=C(C=C1)SCC(C(C)F)OCN2C=NC3=C(N=CN=C32)N","RKNPTNALCDEBCL-NBFOIZRFSA-N","382807",NA,"PDBC46896","670535","Present"
-"NSC670550","","","","","","","","","","","","","","","","","","","","NSC670550","","CC1=C(N(C2=C1C(=NC(=N2)S(=O)(=O)C)S(=O)(=O)C)C3=CC=CC=C3)C","XBWWRSWVCDDZLR-UHFFFAOYSA-N","382814",NA,"PDBC46897","670550","Present"
-"NSC670552","","","","","","","","","","","","","","","","","","","","NSC670552","","CC1(C(=CC(=CC(=O)OC)C(=O)OC)C(=C(N1C2=CC=C(C=C2)Cl)N)C#N)C(=CC(=O)OC)C(=O)OC","LBTCIJAMDZQOQH-LRANRJAFSA-N","5468447",NA,"PDBC46898","670552","Present"
-"NSC670555","","","","","","","","","","","","","","","","","","","","NSC670555","","C1CN(CCN1CCCCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4.C(=O)(C(=O)O)O","CZWMNIJDJNGSLC-UHFFFAOYSA-N","382818",NA,"PDBC46899","670555","Present"
-"NSC670564","","","","","","","","","","","","","","","","","","","","NSC670564","","CC(C)(C)C(=O)OC1C=CC(C2C1C3CC2C=C3)O","LLYGSSQSUJPRLF-OKDXSUHISA-N","382828",NA,"PDBC46900","670564","Present"
-"NSC670655","","","","","","","","","","","","","","","","","","","","NSC670655","","CC1CC(C2(C#CC=CC#CC3C14C2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)O)(OC)OC","QFEWFWSZRWJSHW-HPCMTVGLSA-N","54608144",NA,"PDBC46901","670655","Present"
-"NSC670656","","","","","","","","","","","","","","","","","","","","NSC670656","","CC1CC(=O)C2(C#CC=CC#CC3C14C2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)O","IQYRZKUVJRVIFN-HYGYKECYSA-N","54608726",NA,"PDBC46902","670656","Present"
-"NSC670675","","","","","","","","","","","","","","","","","","","","NSC670675","","CC1(OC2CN3C4=CC=CC=C4C(=C3C2O1)C#N)C","XGSSXRLHOPZAIF-JSGCOSHPSA-N","382845",NA,"PDBC46903","670675","Present"
-"NSC670686","","","","","","","","","","","","","","","","","","","","NSC670686","","CN(C)CC1CCCC(=CC2=CC=C(C=C2)Cl)C1=O.Cl","CNECTBMAEYPSKH-RSGUCCNWSA-N","6518800",NA,"PDBC46904","670686","Present"
-"NSC670687","","","","","","","","","","","","","","","","","","","","NSC670687","","CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC)C1=O.Cl","TUQSDJUBHONAPY-JHGYPSGKSA-N","5468453",NA,"PDBC46905","670687","Present"
-"NSC670688","","","","","","","","","","","","","","","","","","","","NSC670688","","CN(C)CC1CCCC(=CC2=CC(=C(C=C2)Cl)Cl)C1=O.Cl","QOZHKIMARDAGGV-MXZHIVQLSA-N","5468455",NA,"PDBC46906","670688","Present"
-"NSC670774","","","","","","","","","","","","","","","","","","","","NSC670774","","COC1=C(C=CC(=C1)C=CC=C2CCC(=CC=CC3=CC(=C(C=C3)O)OC)C2=O)O","GYYPECSETJYYJN-SHDPOBJKSA-N","5468459",NA,"PDBC46907","670774","Present"
-"NSC670784","","","","","","","","","","","","","","","","","","","","NSC670784","","CCC(C)NC(=S)NN=C(C)C1=CC=CC=N1","VVADGNWOIMEZIO-XNTDXEJSSA-N","5494342",NA,"PDBC46908","670784","Present"
-"NSC670785","","","","","","","","","","","","","","","","","","","","NSC670785","","CCCCCCNC(=S)NN=C(C)C1=CC=CC=N1","SELXMLOQVKKJFK-SFQUDFHCSA-N","5465988",NA,"PDBC46909","670785","Present"
-"NSC670788","","","","","","","","","","","","","","","","","","","","NSC670788","","CC(=NNC(=S)NC(C)(C)C)C1=CC=CC=N1","LUHMLCJMYUCKTQ-OQLLNIDSSA-N","5494343",NA,"PDBC46910","670788","Present"
-"NSC670825","","","","","","","","","","","","","","","","","","","","NSC670825","","C1=CC(=CC=C1C=CC(=O)O)OS(=O)(=O)O.[K+]","LAJNBQXWEBCITO-ZIKNSQGESA-N","54608658",NA,"PDBC46911","670825","Present"
-"NSC670826","","","","","","","","","","","","","","","","","","","","NSC670826","","COC1=C(C=CC(=C1)C=CC(=O)O)OS(=O)(=O)O.[K+]","KNKHUQAHFAWKIJ-WGCWOXMQSA-N","54602109",NA,"PDBC46912","670826","Present"
-"NSC670862","","","","","","","","","","","","","","","","","","","","NSC670862","","C[N+](C)(C)CCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCC[N+](C)(C)C)CCCCC[N+](C)(C)C)CCCCC[N+](C)(C)C)N2.[Cl-]","NVOSGFCDBWWGBH-UHFFFAOYSA-M","382957",NA,"PDBC46913","670862","Present"
-"NSC670863","","","","","","","","","","","","","","","","","","","","NSC670863","","CCOC(=O)C(=C(N)N1CCCC1)SC#N","OTIGOGPEDKRGGU-CMDGGOBGSA-N","5468482",NA,"PDBC46914","670863","Present"
-"NSC670871","","","","","","","","","","","","","","","","","","","","NSC670871","","CCC(C)OC(=O)C(=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O1)Br","OIQVXJKBGVCCMO-ZCXUNETKSA-N","5468483",NA,"PDBC46915","670871","Present"
-"NSC670877","","","","","","","","","","","","","","","","","","","","NSC670877","","C1CSC2=NC(=C(N21)C=NN=C(N)N)Cl.Cl","BOPTXZBKWKAEAD-KODGKZAJSA-N","9571914",NA,"PDBC46916","670877","Present"
-"NSC670878","","","","","","","","","","","","","","","","","","","","NSC670878","","C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC=C(C=C3)Cl.Cl","KLZSWBNXFJENNC-VYYXIRCESA-N","9571916",NA,"PDBC46917","670878","Present"
-"NSC670973","","","","","","","","","","","","","","","","","","","","NSC670973","","C1OC(C(C(C(O1)CN=[N+]=[N-])OCCOCCCl)OCCOCCCl)CN=[N+]=[N-]","HOSKGKHXKBOJOX-KBUPBQIOSA-N","383004",NA,"PDBC46918","670973","Present"
-"NSC670974","","","","","","","","","","","","","","","","","","","","NSC670974","","C1COC2C(OCOC(C2OCCOCCOC3=CC=CC=C3OCCO1)CN=[N+]=[N-])CN=[N+]=[N-]","OVQXDKGGXYRTEB-XRXFAXGQSA-N","383005",NA,"PDBC46919","670974","Present"
-"NSC671010","","","","","","","","","","","","","","","","","","","","NSC671010","","C1(C(C2=C(SC(=C2C1O)Br)Br)N)O.Cl","PEPOIAKGOKHUEO-YMDUGQBDSA-N","383028",NA,"PDBC46920","671010","Present"
-"NSC671017","","","","","","","","","","","","","","","","","","","","NSC671017","","","","",NA,"PDBC46921","671017","Present"
-"NSC671018","","","","","","","","","","","","","","","","","","","","NSC671018","","CCC1C2C(CN(C2=O)C)N(O1)C","WPMZCAKQMLGJBG-BIIVOSGPSA-N","6712342",NA,"PDBC46922","671018","Present"
-"NSC671019","","","","","","","","","","","","","","","","","","","","NSC671019","","CN1CC2C(C1=O)C(ON2C)C3=CC=CC=C3","XSOYHCDJOSZNBP-TUAOUCFPSA-N","6712343",NA,"PDBC46923","671019","Present"
-"NSC671020","","","","","","","","","","","","","","","","","","","","NSC671020","","CN1CC2C(C1=O)C(ON2C)C3=CC=C(C=C3)[N+](=O)[O-]","MHADFMPWEVDBQT-TUAOUCFPSA-N","383038",NA,"PDBC46924","671020","Present"
-"NSC671021","","","","","","","","","","","","","","","","","","","","NSC671021","","CN1CC2C(C1=O)C(ON2C)C3=CC=C(C=C3)OC","WOBXJFCJABJRPP-XQQFMLRXSA-N","383039",NA,"PDBC46925","671021","Present"
-"NSC671146","","","","","","","","","","","","","","","","","","","","NSC671146","","COC(=O)C(=C(NC1=CC=CC=C1)N2CCCC2)C#N","FFKAZYWAFCMPMU-BUHFOSPRSA-N","5468513",NA,"PDBC46926","671146","Present"
-"NSC671147","","","","","","","","","","","","","","","","","","","","NSC671147","","COC(=O)C(=C(NC1=CC=CC=C1)N2CCCCC2)C#N","XDXQRIITSBUTGK-CCEZHUSRSA-N","5468514",NA,"PDBC46927","671147","Present"
-"NSC671148","","","","","","","","","","","","","","","","","","","","NSC671148","","COC(=O)C(=C(NC1=CC=CC=C1)N2CCOCC2)C#N","KGWUPQZAVNOYRS-BUHFOSPRSA-N","5468515",NA,"PDBC46928","671148","Present"
-"NSC671149","","","","","","","","","","","","","","","","","","","","NSC671149","","COC(=O)C(=C(NCCN)NC1=CC=CC=C1)C#N","HWVAPXOGXZCKGQ-QXMHVHEDSA-N","5468516",NA,"PDBC46929","671149","Present"
-"NSC671150","","","","","","","","","","","","","","","","","","","","NSC671150","","COC(=O)C(=C(NCC1=CC=CC=C1)NC2=CC=CC=C2)C#N","IDCYILUNFFYACQ-MSUUIHNZSA-N","5468517",NA,"PDBC46930","671150","Present"
-"NSC671311","","","","","","","","","","","","","","","","","","","","NSC671311","","C1=CC=C2C(=C1)N=C3N2C(=NC4=CC=CC=C4S3)N.Cl","NVNSRFKULHAGDD-UHFFFAOYSA-N","383190",NA,"PDBC46931","671311","Present"
-"NSC671312","","","","","","","","","","","","","","","","","","","","NSC671312","","COC1=CC2=C(C=C1)SC3=NC4=CC=CC=C4N3C(=N2)N.Cl","CPGUJRRDYFISLF-UHFFFAOYSA-N","383192",NA,"PDBC46932","671312","Present"
-"NSC671316","","","","","","","","","","","","","","","","","","","","NSC671316","","CC1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4SC3=N2)N.Cl","CSUUTXSHVYWRSI-UHFFFAOYSA-N","383197",NA,"PDBC46933","671316","Present"
-"NSC671329","","","","","","","","","","","","","","","","","","","","NSC671329","","COC1=CC=C(C=C1)C=C2C(=O)N3C(C4(CCCCC4N=C3S2)O)C5=CC=CC=C5","KJURZTSSAWUYTD-XDJHFCHBSA-N","5468527",NA,"PDBC46934","671329","Present"
-"NSC671355","","","","","","","","","","","","","","","","","","","","NSC671355","","CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)SC(=S)N2CCC[N+](C)(C)C.[I-]","MFCYDFZIGYLOAA-UHFFFAOYSA-M","383240",NA,"PDBC46935","671355","Present"
-"NSC671356","","","","","","","","","","","","","","","","","","","","NSC671356","","C1=CC=C(C=C1)N=C2N(C(=NS(=O)(=O)C3=CC=CC=C3)C(=NS(=O)(=O)C4=CC=CC=C4)S2)C5=CC=CC=C5","NKZAZPGXFWALFI-MLNBRWFLSA-N","9571922",NA,"PDBC46936","671356","Present"
-"NSC671357","","","","","","","","","","","","","","","","","","","","NSC671357","","COC1=CC=C(C=C1)N2C(=NS(=O)(=O)C3=CC=CC=C3)C(=NS(=O)(=O)C4=CC=CC=C4)SC2=NC5=CC=CC=C5","SXDRTXJTLFQRSA-HRQDDTSMSA-N","9571923",NA,"PDBC46937","671357","Present"
-"NSC671359","","","","","","","","","","","","","","","","","","","","NSC671359","","C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=NN4C(=O)C5=CC=CC=C5C4=O)N2C6=CC=CC=C6","BRUQABNEFUROOG-YYHQVPDTSA-N","5465993",NA,"PDBC46938","671359","Present"
-"NSC671373","","","","","","","","","","","","","","","","","","","","NSC671373","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2N(C3=CC=CC=C3S2)C","DBPQNNBERNJYOS-FOCLMDBBSA-N","5465994",NA,"PDBC46939","671373","Present"
-"NSC671401","","","","","","","","","","","","","","","","","","","","NSC671401","","C1=CC=C(C=C1)N=C2C(=S)N(C(=NC3=CC=CC=N3)N2C4=CC=CC=C4)C5=CC=CC=C5","NTFQVQVCZMCMMY-OZCYLJCFSA-N","5902624",NA,"PDBC46940","671401","Present"
-"NSC671403","","","","","","","","","","","","","","","","","","","","NSC671403","","COC1=CC=C(C=C1)N=C2C(=S)N(C(=NS(=O)(=O)C3=CC=CC=C3)N2C4=CC=CC=C4)C5=CC=C(C=C5)OC","PYNABEMCRVERKY-QJTANCKDSA-N","6273971",NA,"PDBC46941","671403","Present"
-"NSC671407","","","","","","","","","","","","","","","","","","","","NSC671407","","C1=CC=C(C=C1)C=CC(=O)C=NN2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=S)C5=CC=CC=C5","QZKRERPNEFQPPH-XJOPLITBSA-N","9556176",NA,"PDBC46942","671407","Present"
-"NSC671411","","","","","","","","","","","","","","","","","","","","NSC671411","","C1C2CC3CC1CC(C2)(C3)N4C(=NC5=CC=CC=C5)C(=NC6=CC=CC=C6)N(C4=S)N=CC7=CC=CC=C7O","SNMCAPVOYKGNHG-AQUDJDDUSA-N","135509183",NA,"PDBC46943","671411","Present"
-"NSC671416","","","","","","","","","","","","","","","","","","","","NSC671416","","CN1C2=CC=CC=C2SC1=NN=C3SC(=NC4=CC=C(C=C4)OC)C(=NC5=CC=C(C=C5)OC)S3","CTIGUEAQJCHFJE-BREXMFFZSA-N","5465995",NA,"PDBC46944","671416","Present"
-"NSC671432","","","","","","","","","","","","","","","","","","","","NSC671432","","CN=C(NC1=CC=CC(=C1)C(F)(F)F)SCC2=CC=C(C=C2)N=C=S.Br","FCTSYDODZONFIK-UHFFFAOYSA-N","383321",NA,"PDBC46945","671432","Present"
-"NSC671449","","","","","","","","","","","","","","","","","","","","NSC671449","","C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","AGTFLDZRCVPHOQ-SQIOZQJDSA-N","6474488",NA,"PDBC46946","671449","Present"
-"NSC671450","","","","","","","","","","","","","","","","","","","","NSC671450","","CC1=CC=C(C=C1)C2=C(N3CCSC3=N2)C=NN=C(N)N.Cl","IHKLCLRFBWPXDE-LIUCOPNQSA-N","6474489",NA,"PDBC46947","671450","Present"
-"NSC671451","","","","","","","","","","","","","","","","","","","","NSC671451","","CC1=NC2=CC=CC=C2C(=C1)CC3C4C(C5C(O3)OC(O5)(C)C)OC(O4)(C)C","HDWJGUZZEXALAJ-LCWAXJCOSA-N","383337",NA,"PDBC46948","671451","Present"
-"NSC671455","","","","","","","","","","","","","","","","","","","","NSC671455","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(C(OC2=O)C(C)(C)C(=O)OC)C(C)C)C","GXCCAPYMBMUOOK-DOTOQJQBSA-N","383341",NA,"PDBC46949","671455","Present"
-"NSC671545","","","","","","","","","","","","","","","","","","","","NSC671545","","C1=CC=C(C=C1)C(=NNC(=O)C2=CC=NC=C2)C(F)(F)F","HSLNJPGFVWIQSL-UNOMPAQXSA-N","5347051",NA,"PDBC46950","671545","Present"
-"NSC671546","","","","","","","","","","","","","","","","","","","","NSC671546","","CC(=NNC(=O)C1=CC=NC=C1)C(F)(F)F","KKECQLSDZHKDEC-NSIKDUERSA-N","5480617",NA,"PDBC46951","671546","Present"
-"NSC671547","","","","","","","","","","","","","","","","","","","","NSC671547","","COC(=NN1CC1C(F)(F)F)C2=CC=NC=C2","RKHQBHDYEQXEQS-OQLLNIDSSA-N","5481667",NA,"PDBC46952","671547","Present"
-"NSC671548","","","","","","","","","","","","","","","","","","","","NSC671548","","COC(=NN=C(C1=CC=CC=C1)C(F)(F)F)C2=CC=NC=C2","WUVNJAKUTJBNHW-NAWSQEDCSA-N","9571926",NA,"PDBC46953","671548","Present"
-"NSC671549","","","","","","","","","","","","","","","","","","","","NSC671549","","CC(=NN=C(C1=CC=NC=C1)OC)C(F)(F)F","XJKVSDKVUUZIOZ-YKYPLBCCSA-N","9571927",NA,"PDBC46954","671549","Present"
-"NSC671551","","","","","","","","","","","","","","","","","","","","NSC671551","","CC1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3","OUFBVXRHAXPBPF-MGFKIWBESA-N","383381",NA,"PDBC46955","671551","Present"
-"NSC671638","","","","","","","","","","","","","","","","","","","","NSC671638","","C1C(C2(C(CC1=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=CC=CC=C5","JCRKSTFTQQLWFT-ZRZAMGCNSA-N","383408",NA,"PDBC46956","671638","Present"
-"NSC671639","","","","","","","","","","","","","","","","","","","","NSC671639","","CC(=O)OC1=CC=CC=C1C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5OC(=O)C","OJGJWDFMQZPOPU-JWQCQUIFSA-N","383409",NA,"PDBC46957","671639","Present"
-"NSC671640","","","","","","","","","","","","","","","","","","","","NSC671640","","COC1=CC(=CC(=C1OC)OC)C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=CC(=C(C(=C5)OC)OC)OC","NLOULXNEGAPOCR-DHIUTWEWSA-N","383410",NA,"PDBC46958","671640","Present"
-"NSC671664","","","","","","","","","","","","","","","","","","","","NSC671664","","COC1=C(C=C(C=C1)C(=C(CNC2=CC=CC=N2)C3=CC=CC=C3)Cl)OC","NRLLCNUTLMMOLE-PYCFMQQDSA-N","5468559",NA,"PDBC46959","671664","Present"
-"NSC671807","","","","","","","","","","","","","","","","","","","","NSC671807","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","CTPGLRSMEZXAFK-UHFFFAOYSA-N","383440",NA,"PDBC46960","671807","Present"
-"NSC671810","","","","","","","","","","","","","","","","","","","","NSC671810","","CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=CC=C4","FNTOYVOLRKEOFP-UHFFFAOYSA-N","383443",NA,"PDBC46961","671810","Present"
-"NSC671855","","","","","","","","","","","","","","","","","","","","NSC671855","","CC(C)C(COC)N=CC1=CC=C(C=C1)[N+](=O)[O-]","MKCCUPZRBMJIRO-CYBMUJFWSA-N","383469",NA,"PDBC46962","671855","Present"
-"NSC671856","","","","","","","","","","","","","","","","","","","","NSC671856","","CC(C)C(COC)N=CC1=CC=C(C=C1)OC","MONVNSWGRGLHCL-CQSZACIVSA-N","383470",NA,"PDBC46963","671856","Present"
-"NSC671872","","","","","","","","","","","","","","","","","","","","NSC671872","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC(=CC=C7)[N+](=O)[O-])(CO4)OC(=O)C)O)C)OC(=O)C","RTXSMQCFFXZLPU-MZXODVADSA-N","383481",NA,"PDBC46964","671872","Present"
-"NSC671876","","","","","","","","","","","","","","","","","","","","NSC671876","","C1=CC=C(C=C1)C2=N[N+]3=C(N(N=C3S2)CC(=O)C4=CC=CC=C4)N.[Br-]","IEEPRWIYWDXNSX-UHFFFAOYSA-N","383488",NA,"PDBC46965","671876","Present"
-"NSC671923","","","","","","","","","","","","","","","","","","","","NSC671923","","","","",NA,"PDBC46966","671923","Present"
-"NSC671926","","","","","","","","","","","","","","","","","","","","NSC671926","","","","",NA,"PDBC46967","671926","Present"
-"NSC671958","","","","","","","","","","","","","","","","","","","","NSC671958","","CC1(N(C(=NP1(=O)O)NC#N)C)C.N","LFVOTZYHKIJDEJ-UHFFFAOYSA-N","383539",NA,"PDBC46968","671958","Present"
-"NSC671967","","","","","","","","","","","","","","","","","","","","NSC671967","","CC(C)C(=NOC(C(F)(F)F)(C(F)(F)F)NC(=O)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)Cl","NATGWUKLXSZRBK-MUFRIFMGSA-N","5466012",NA,"PDBC46969","671967","Present"
-"NSC672041","","","","","","","","","","","","","","","","","","","","NSC672041","","CCCC(=NOC(=O)NC1=CC=C(C=C1)Br)Cl","VXRQUUTTYZYBRH-XNTDXEJSSA-N","5466017",NA,"PDBC46970","672041","Present"
-"NSC672042","","","","","","","","","","","","","","","","","","","","NSC672042","","CCOC(=O)C1=CC=C(C=C1)NC(=O)ON=C(C(C)C)Cl","NNNCJXIWPYCBCO-SFQUDFHCSA-N","5494344",NA,"PDBC46971","672042","Present"
-"NSC672046","","","","","","","","","","","","","","","","","","","","NSC672046","","CC(C)C(=NOC(=O)NC1=CC=CC=C1OC)Cl","KALBTDIAXBSMNQ-RVDMUPIBSA-N","5466020",NA,"PDBC46972","672046","Present"
-"NSC672047","","","","","","","","","","","","","","","","","","","","NSC672047","","C1=CC(=CC(=C1)NC(=O)ON=C(CCl)Cl)C(F)(F)F","AJNYXOOVOWLZEW-CAOOACKPSA-N","5466021",NA,"PDBC46973","672047","Present"
-"NSC672048","","","","","","","","","","","","","","","","","","","","NSC672048","","CCOC(=O)C1=CC=C(C=C1)NC(=O)ON=C(CCl)Cl","BNOOTPRVWGIWIX-MHWRWJLKSA-N","5466022",NA,"PDBC46974","672048","Present"
-"NSC672049","","","","","","","","","","","","","","","","","","","","NSC672049","","CCCC(=NOC(=O)NC1=CC=CC(=C1)C(F)(F)F)Cl","ZZIIPDINXTXPCU-VCHYOVAHSA-N","5466023",NA,"PDBC46975","672049","Present"
-"NSC672050","","","","","","","","","","","","","","","","","","","","NSC672050","","CC(C)C(=NOC(=O)NC1=CC(=CC=C1)Cl)Cl","BJNQHWUEXHGPJR-XNTDXEJSSA-N","5466024",NA,"PDBC46976","672050","Present"
-"NSC672052","","","","","","","","","","","","","","","","","","","","NSC672052","","CC(C)C(=NOC(=O)NC1=CC(=CC=C1)F)Cl","GHOSAJILDFXTRJ-XNTDXEJSSA-N","5480940",NA,"PDBC46977","672052","Present"
-"NSC672053","","","","","","","","","","","","","","","","","","","","NSC672053","","CC(C)C(=NOC(=O)NC1=CC=CC=C1F)Cl","YCDALHLZEUKJJQ-XNTDXEJSSA-N","5466026",NA,"PDBC46978","672053","Present"
-"NSC672055","","","","","","","","","","","","","","","","","","","","NSC672055","","CC(C)C(=NOC(=O)NC1=C(C=C(C=C1)F)F)Cl","JYWOQKWVHCERNF-MHWRWJLKSA-N","5466028",NA,"PDBC46979","672055","Present"
-"NSC672057","","","","","","","","","","","","","","","","","","","","NSC672057","","CCC(=NOC(=O)NC1=CC=C(C=C1)C#N)Cl","ILPQFUUYYJDRHN-XNTDXEJSSA-N","5466029",NA,"PDBC46980","672057","Present"
-"NSC672058","","","","","","","","","","","","","","","","","","","","NSC672058","","CC(C)C(=NOC(=O)NC1=CC=C(C=C1)C#N)Cl","WTQKGQICDHSYST-LFIBNONCSA-N","5466030",NA,"PDBC46981","672058","Present"
-"NSC672117","","","","","","","","","","","","","","","","","","","","NSC672117","","CC12CCC3C(O3)(C(CC4C(C1O2)OC(=O)C4=C)O)C","LWONQONPHFIJAL-TXUGDFMYSA-N","383697",NA,"PDBC46982","672117","Present"
-"NSC672118","","","","","","","","","","","","","","","","","","","","NSC672118","","CC12CCC3C(O3)(C(CC4C(C1O2)OC(=O)C4=C)O)C","LWONQONPHFIJAL-ATCSSJTRSA-N","383698",NA,"PDBC46983","672118","Present"
-"NSC672119","","","","","","","","","","","","","","","","","","","","NSC672119","","CC1C2CC(C(=CCCC3(C(C2OC1=O)O3)C)C)O","ZEZFRBHOAWDOET-PGZSKKBPSA-N","54608852",NA,"PDBC46984","672119","Present"
-"NSC672124","","","","","","","","","","","","","","","","","","","","NSC672124","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=CC=C3","YEGXVLDEOIDHGW-SMJBBXKVSA-N","54681655",NA,"PDBC46985","672124","Present"
-"NSC672125","","","","","","","","","","","","","","","","","","","","NSC672125","","COC(=O)C1CCC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC","FTIXWUBFTAXERU-XQTSONMXSA-N","54681656",NA,"PDBC46986","672125","Present"
-"NSC672126","","","","","","","","","","","","","","","","","","","","NSC672126","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC","MRGZUAQTUKEBIR-XIVCSLGUSA-N","54681657",NA,"PDBC46987","672126","Present"
-"NSC672127","","","","","","","","","","","","","","","","","","","","NSC672127","","CC1C(C(C2(C(C1C(=C(C2C(=O)OC)O)C(=O)OC)C(=O)OC)O)C(=O)OC)C","WTARNIIZXJFCAC-PDAUWYDZSA-N","54681658",NA,"PDBC46988","672127","Present"
-"NSC672134","","","","","","","","","","","","","","","","","","","","NSC672134","","C1C2C3C(C(C(O2)O)OC(=O)C4=CC(=C(C(=C4OC5=C(C(=C6C(=C5)C(=O)OCC7C(C(C(C(O7)O)OC(=O)C8=CC(=C(C(=C8OC9=C(C(=C(C(=C9)C(=O)O3)C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C16)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O","YSLFLCIPPPJEHH-UHFFFAOYSA-N","16129800",NA,"PDBC46989","672134","Present"
-"NSC672137","","","","","","","","","","","","","","","","","","","","NSC672137","","CCOC(=O)C(=NO)CC1C(OC(O1)(C)C)C2COC(O2)(C)C","RNPOUQFDDFZHFE-IIJMIFMCSA-N","9571930",NA,"PDBC46990","672137","Present"
-"NSC672140","","","","","","","","","","","","","","","","","","","","NSC672140","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C(=O)O.[Na+]","KIDIMQGKCHBQGL-UHFFFAOYSA-N","54598846",NA,"PDBC46991","672140","Present"
-"NSC672141","","","","","","","","","","","","","","","","","","","","NSC672141","","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)C(=O)O.[Na+]","ORPRNQRJVHUFKT-UHFFFAOYSA-N","54608805",NA,"PDBC46992","672141","Present"
-"NSC672153","","","","","","","","","","","","","","","","","","","","NSC672153","","CCCCCC(=NC1=C(NC=N1)C(=O)N)OCC","OPSNQZWNAQEQDJ-CXUHLZMHSA-N","6392792",NA,"PDBC46993","672153","Present"
-"NSC672156","","","","","","","","","","","","","","","","","","","","NSC672156","","CN(C1CCCCC1)C2=CN(C(=O)NC2=O)C3CCC(O3)CO","DMTNMFQFGOJLAG-NBFOIZRFSA-N","383727",NA,"PDBC46994","672156","Present"
-"NSC672159","","","","","","","","","","","","","","","","","","","","NSC672159","","CSC(=S)CC(C1CC2C3=CC=CC=C3C1C4=CC=CC=C24)O","HBXQKYHUVCXNNU-POAOYLCXSA-N","383730",NA,"PDBC46995","672159","Present"
-"NSC672160","","","","","","","","","","","","","","","","","","","","NSC672160","","CC1(OC2C(CC(C2O1)C#N)COC(=O)C3=CC=CC=C3)C","DLAODCJWLJDQEV-LJISPDSOSA-N","383731",NA,"PDBC46996","672160","Present"
-"NSC672161","","","","","","","","","","","","","","","","","","","","NSC672161","","C1C(C(C(C1C2=NNN=N2)O)O)CO","SUMFTKMKVUFIPH-CNKSGKBASA-N","383732",NA,"PDBC46997","672161","Present"
-"NSC672195","","","","","","","","","","","","","","","","","","","","NSC672195","","COC1=CC2=C(C=C1)N=C(C=C2)C(=CC#N)N","KHALSODSJYZRDR-IZZDOVSWSA-N","5468595",NA,"PDBC46998","672195","Present"
-"NSC672202","","","","","","","","","","","","","","","","","","","","NSC672202","","CCOC(=O)C(C)(C(=CCl)Cl)C(=O)OCC","OMZIJNQLYDINET-VOTSOKGWSA-N","5468596",NA,"PDBC46999","672202","Present"
-"NSC672204","","","","","","","","","","","","","","","","","","","","NSC672204","","CCOC(=O)C(C)(C)C=CC(=C(Cl)Cl)Cl","PYBKXASKAJGAFT-WAYWQWQTSA-N","5468597",NA,"PDBC47000","672204","Present"
-"NSC672221","","","","","","","","","","","","","","","","","","","","NSC672221","","CC(C(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC=C","RDURSHAKAIHFIZ-AZQKHBBHSA-N","6712349",NA,"PDBC47001","672221","Present"
-"NSC672223","","","","","","","","","","","","","","","","","","","","NSC672223","","CC1CCC2C(=C(C(=O)C2(CC=C(CCC=C(CCC1OC(=O)C)C)C)C)OC(=O)C)C(C)COC(=O)C","IPTSNIQDTMWNTA-DXMXTUCYSA-N","5468604",NA,"PDBC47002","672223","Present"
-"NSC672229","","","","","","","","","","","","","","","","","","","","NSC672229","","C1C2C(C3C(C2(C4=CC=CC=C4NC1=O)O)C(=O)NC5=CC=CC=C5C3=O)C6=CC=C(C=C6)Br","BEYPYNZXQJGYRN-CWDIBNIISA-N","6712350",NA,"PDBC47003","672229","Present"
-"NSC672261","","","","","","","","","","","","","","","","","","","","NSC672261","","CC1CCC(C(C1)OC(=O)C=C2C3C=CC(C2C(=O)OC4CC(CCC4C(C)C)C)O3)C(C)C","LFRMIUNYOKFGNU-JUFQSBHDSA-N","5468605",NA,"PDBC47004","672261","Present"
-"NSC672262","","","","","","","","","","","","","","","","","","","","NSC672262","","CC1CCC(C(C1)OC(=O)C=C2C3C=CC(C2C(=O)OC4CC(CCC4C(C)C)C)O3)C(C)C","LFRMIUNYOKFGNU-FQXXHRIDSA-N","5468606",NA,"PDBC47005","672262","Present"
-"NSC672293","","","","","","","","","","","","","","","","","","","","NSC672293","","CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)N2C(=S)C=C(NN(C2=S)C)C","RPSRVXXWKLWNBA-RGEXLXHISA-N","5466036",NA,"PDBC47006","672293","Present"
-"NSC672294","","","","","","","","","","","","","","","","","","","","NSC672294","","CCOC(=O)C(=NNC1=CC=C(C=C1)C)N2C(=S)C=C(NN(C2=S)C)C","KOWHQYVLLHOCFT-CYVLTUHYSA-N","5466037",NA,"PDBC47007","672294","Present"
-"NSC672295","","","","","","","","","","","","","","","","","","","","NSC672295","","CCOC(=O)C(=NNC1=CC=CC=C1)N2C(=S)C=C(NN(C2=S)C)C","OGOWHUPDVZNISS-JXAWBTAJSA-N","5466038",NA,"PDBC47008","672295","Present"
-"NSC672370","","","","","","","","","","","","","","","","","","","","NSC672370","","CCCC1(C2=C(C=CC(=C2)C=NO)C3=C1C=C(C=C3)C4=CC=C(C=C4)C(C)(C)C)CCC","KSKXJUNBPNCSEW-GTWSWNCMSA-N","5929832",NA,"PDBC47009","672370","Present"
-"NSC672438","","","","","","","","","","","","","","","","","","","","NSC672438","","C1CCNOC(=O)CCC(C(=O)NC(C(=O)NC(C1)C(=O)N2CCCC2C(=O)NCC(=O)N)CC3=CNC4=CC=CC=C43)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57","SILIGTWWNBSTBB-UHFFFAOYSA-N","383821",NA,"PDBC47010","672438","Present"
-"NSC672440","","","","","","","","","","","","","","","","","","","","NSC672440","","CC(C)(C)OC(=O)NC1CCN(C1=O)C2CCCCC2","VUZXCHZKFMFGBO-LBPRGKRZSA-N","383823",NA,"PDBC47011","672440","Present"
-"NSC672462","","","","","","","","","","","","","","","","","","","","NSC672462","","CC(C(C(=O)N)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(C(C)OCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)OCC8=CC=CC=C8","JIYFPQBWNJZYOY-UHFFFAOYSA-N","16130239",NA,"PDBC47012","672462","Present"
-"NSC672463","","","","","","","","","","","","","","","","","","","","NSC672463","","CC(C(C(=O)N)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(C(C)OCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CN(C4=CC=CC=C43)C=O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)OCC8=CC=CC=C8","YEHRJZGXYYZHST-UHFFFAOYSA-N","16129803",NA,"PDBC47013","672463","Present"
-"NSC672465","","","","","","","","","","","","","","","","","","","","NSC672465","","CC(C(C(=O)NC(CSN(C)C(=O)C)C(=NO)O)NC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CN(C3=CC=CC=C32)C=O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)OCC7=CC=CC=C7","QVMBYGQHCSVKLX-UHFFFAOYSA-N","54608576",NA,"PDBC47014","672465","Present"
-"NSC672554","","","","","","","","","","","","","","","","","","","","NSC672554","","CC(=O)OCC(C(C1C(C2CC(CO1)ON2CC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C","BXGWNFHRXZGCEG-RFZFRQTISA-N","383843",NA,"PDBC47015","672554","Present"
-"NSC672646","","","","","","","","","","","","","","","","","","","","NSC672646","","CC(C)NCC(C1=C(C(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)O.Cl","DGHWCPIOEAXBPM-UHFFFAOYSA-N","383864",NA,"PDBC47016","672646","Present"
-"NSC672654","","","","","","","","","","","","","","","","","","","","NSC672654","","CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCC2C(=O)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)N)OC(C)(C)C","XXEPAYVOJKAAPV-QDYBJVGGSA-N","6712351",NA,"PDBC47017","672654","Present"
-"NSC672655","","","","","","","","","","","","","","","","","","","","NSC672655","","CC(C1C(=O)NC(C(=O)NC2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCNC(=O)OC(C)(C)C)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)OC(C)(C)C","WOCKAIWAPUEIJF-FOUOKURNSA-N","383873",NA,"PDBC47018","672655","Present"
-"NSC672657","","","","","","","","","","","","","","","","","","","","NSC672657","","CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCC2C(=O)OCC3=CC=CC=C3)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79)OC(C)(C)C","NMCVWBPAOASJSU-PNQYNCJASA-N","16134275",NA,"PDBC47019","672657","Present"
-"NSC672658","","","","","","","","","","","","","","","","","","","","NSC672658","","CC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCC2NC(=O)C(CC3=CC=C(C=C3)OC(C)(C)C)NC(=O)OC(C)(C)C","BINIDQPUTDYBJU-RCPANXSKSA-N","383876",NA,"PDBC47020","672658","Present"
-"NSC672659","","","","","","","","","","","","","","","","","","","","NSC672659","","CC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCC2NC(=O)C(CC3=CC=C(C=C3)O)N.C(=O)(C(F)(F)F)O","PIHPGUUMVULIIS-CAYXXSQSSA-N","383877",NA,"PDBC47021","672659","Present"
-"NSC672660","","","","","","","","","","","","","","","","","","","","NSC672660","","CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)NC2CCC(C2)C(=O)O)NC(=O)OC(C)(C)C","CSXXRAMOLIGYIL-YGYNJSFOSA-N","383879",NA,"PDBC47022","672660","Present"
-"NSC672661","","","","","","","","","","","","","","","","","","","","NSC672661","","CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCC(C2)NC(=O)C(CC3=CC=C(C=C3)OC(C)(C)C)NC(=O)OC(C)(C)C","DIUSNMDIOAAOJJ-CYFSGAMXSA-N","383880",NA,"PDBC47023","672661","Present"
-"NSC672666","","","","","","","","","","","","","","","","","","","","NSC672666","","C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)C(=O)O)N.C(=O)(C(F)(F)F)O","IQFWTZDCQUYZJC-UHFFFAOYSA-N","383884",NA,"PDBC47024","672666","Present"
-"NSC672671","","","","","","","","","","","","","","","","","","","","NSC672671","","CC(C)CC1C(=O)NCCC(C(=O)NC(C(=O)NC(NC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)N.C(=O)(C(F)(F)F)O","NRNTUDQGXVPJPR-UHFFFAOYSA-N","22210525",NA,"PDBC47025","672671","Present"
-"NSC672673","","","","","","","","","","","","","","","","","","","","NSC672673","","COC(=O)C1CC1NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","MMNWPZHESHCHSV-ABZYKWASSA-N","383888",NA,"PDBC47026","672673","Present"
-"NSC672674","","","","","","","","","","","","","","","","","","","","NSC672674","","CC(C)(C)OC(=O)CC(C(=O)NC1CCCCC1C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","VEBZGYRYKZBNKG-OSBQEZSISA-N","383889",NA,"PDBC47027","672674","Present"
-"NSC672864","","","","","","","","","","","","","","","","","","","","NSC672864","","CCOP(=O)(C(=CC1=CC=CN1N(C)C)C#N)OCC","VHILLNLPYVSLHJ-JLHYYAGUSA-N","5468611",NA,"PDBC47028","672864","Present"
-"NSC672868","","","","","","","","","","","","","","","","","","","","NSC672868","","C1=C(OC(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C=CC#N","QOOXKGVZACWCAL-UPHRSURJSA-N","5468615",NA,"PDBC47029","672868","Present"
-"NSC672908","","","","","","","","","","","","","","","","","","","","NSC672908","","C1=CC=C(C=C1)C2C(C3=CC4=C5C(=C3OC2C6=CC=CC=C6)C=CC=C5C(=O)O4)C7=CC=C(C=C7)Cl","UFMHGPGZKDVUEK-OYKXOOMRSA-N","383944",NA,"PDBC47030","672908","Present"
-"NSC672916","","","","","","","","","","","","","","","","","","","","NSC672916","","C1=CC=C(C=C1)CC(C(=O)NCP(=O)(O)O)NC(=O)CCC(C(=O)O)N","WWJKGAUJDBLIOQ-PXYINDEMSA-N","383952",NA,"PDBC47031","672916","Present"
-"NSC672917","","","","","","","","","","","","","","","","","","","","NSC672917","","C(CC(=O)NCP(=O)(O)O)C(C(=O)O)N","GWOPGJQZELPHHS-BYPYZUCNSA-N","383953",NA,"PDBC47032","672917","Present"
-"NSC672969","","","","","","","","","","","","","","","","","","","","NSC672969","","C1C(C1N2C=NC3=C(N=CN=C32)N)CO","FIGKUPLEYZSJGF-PHDIDXHHSA-N","383965",NA,"PDBC47033","672969","Present"
-"NSC672970","","","","","","","","","","","","","","","","","","","","NSC672970","","C1C(C1N2C=NC3=C(N=CN=C32)N)CO","FIGKUPLEYZSJGF-NTSWFWBYSA-N","383966",NA,"PDBC47034","672970","Present"
-"NSC672971","","","","","","","","","","","","","","","","","","","","NSC672971","","CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Na+]","GIDKNZMCLUANDS-UHFFFAOYSA-N","54608779",NA,"PDBC47035","672971","Present"
-"NSC672972","","","","","","","","","","","","","","","","","","","","NSC672972","","CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Na+]","XIMDISOSNIJATM-UHFFFAOYSA-N","54608853",NA,"PDBC47036","672972","Present"
-"NSC672973","","","","","","","","","","","","","","","","","","","","NSC672973","","CCCCCCCCCCCCCCCCOCC(CP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)Cl.[Na+]","HAWWRMHBJNDINK-UHFFFAOYSA-N","54608186",NA,"PDBC47037","672973","Present"
-"NSC672986","","","","","","","","","","","","","","","","","","","","NSC672986","","CC1CCCC2C1(C(C3=C(C2)OC=C3C)O)C","ANKFPIBCTISOBX-RBDSIQFVSA-N","383983",NA,"PDBC47038","672986","Present"
-"NSC672990","","","","","","","","","","","","","","","","","","","","NSC672990","","CC1CC(CC2C1(CC3=C(C2O)OC=C3C)C)OC(=O)C=CSC","PCGQGFYOHXONPG-LBOITUOKSA-N","5468625",NA,"PDBC47039","672990","Present"
-"NSC673095","","","","","","","","","","","","","","","","","","","","NSC673095","","CCC(=NNC(=S)NN=C(CC)C=CC1=CC=CC=C1)C=CC2=CC=CC=C2","SJZONJBEAGQWKJ-WEKKEFSZSA-N","6477486",NA,"PDBC47040","673095","Present"
-"NSC673139","","","","","","","","","","","","","","","","","","","","NSC673139","","C1COCCN1C(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])N2CCOCC2","QYGRCTZLAAEGJX-PKNBQFBNSA-N","6268884",NA,"PDBC47041","673139","Present"
-"NSC673140","","","","","","","","","","","","","","","","","","","","NSC673140","","C1=CC=C(C=C1)NC(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])NC2=CC=CC=C2","IPSXGPJPKLLOEA-FYWRMAATSA-N","5853283",NA,"PDBC47042","673140","Present"
-"NSC673143","","","","","","","","","","","","","","","","","","","","NSC673143","","CC1C2CC(C1(C)C)C(C2=NO)S(=O)(=O)N3CCOCC3","JTMDMGQYQGJKGV-QINSGFPZSA-N","5466043",NA,"PDBC47043","673143","Present"
-"NSC673152","","","","","","","","","","","","","","","","","","","","NSC673152","","C1=CC=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","MCSDFYQDURKRBW-PEZBUJJGSA-N","5468634",NA,"PDBC47044","673152","Present"
-"NSC673181","","","","","","","","","","","","","","","","","","","","NSC673181","","C1CN=C(N1)NN=CC2=CC=CC3=CC4=C(C=NC=C4)N=C32.Br","OOVWIFISAVBZLK-NFLPFLSFSA-N","9571931",NA,"PDBC47045","673181","Present"
-"NSC673186","","","","","","","","","","","","","","","","","","","","NSC673186","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=COC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","WMVHMLVSAGPALS-MHHARFCSSA-N","384061",NA,"PDBC47046","673186","Present"
-"NSC673187","","","","","","","","","","","","","","","","","","","","NSC673187","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CO7)(CO4)OC(=O)C)O)C)OC(=O)C","UCLXBYBARUOWKB-MHHARFCSSA-N","384062",NA,"PDBC47047","673187","Present"
-"NSC673189","","","","","","","","","","","","","","","","","","","","NSC673189","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=C(C=C7)[N+](=O)[O-])(CO4)OC(=O)C)O)C)OC(=O)C","FWAUXOCKXJSGAC-MZXODVADSA-N","384064",NA,"PDBC47048","673189","Present"
-"NSC673190","","","","","","","","","","","","","","","","","","","","NSC673190","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=NC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","BUWWMTKSACQRJA-JKZNWJFHSA-N","384065",NA,"PDBC47049","673190","Present"
-"NSC673191","","","","","","","","","","","","","","","","","","","","NSC673191","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC(=CC=C7)C(F)(F)F)(CO4)OC(=O)C)O)C)OC(=O)C","IGKGYZOULPMYBA-MZXODVADSA-N","384066",NA,"PDBC47050","673191","Present"
-"NSC67323","","","","","","","","","","","","","","","","","","","","NSC67323","","CC(=O)C(=NN=C(N)N)C1=CC=CC=C1.OS(=O)(=O)O","QTKAKQVUXCBJFU-KJEVSKRMSA-N","5459265",NA,"PDBC47051","67323","Present"
-"NSC673281","","","","","","","","","","","","","","","","","","","","NSC673281","","CC1=C(COC1=O)N2CCCC2C(C)(C)OC","INYUTCMLVMUKDF-NSHDSACASA-N","384069",NA,"PDBC47052","673281","Present"
-"NSC673295","","","","","","","","","","","","","","","","","","","","NSC673295","","COC1=CC2=C(CC3(C2=O)C(C4C(C3C5=CC=CC=C5)C(=O)C6=C4C=CC(=C6)OC)C7=CC=CC=C7)C=C1","XQHKPBYSCXLPBK-ZJSYICAYSA-N","384073",NA,"PDBC47053","673295","Present"
-"NSC673296","","","","","","","","","","","","","","","","","","","","NSC673296","","CC1=CC2=C(C=C1)C(=O)C3(C2)C(C4C(C3C5=CC=CC=C5)C(=O)C6=C4C=C(C=C6)C)C7=CC=CC=C7","AGLAXAZTMHLVNX-ZJSYICAYSA-N","384074",NA,"PDBC47054","673296","Present"
-"NSC673297","","","","","","","","","","","","","","","","","","","","NSC673297","","COC1=C(C=C2C(=C1)CC3(C2=O)C(C4C(C3C5=CC=CC=C5)C(=O)C6=CC(=C(C=C46)OC)OC)C7=CC=CC=C7)OC","DLMZXDOOAMQIFO-OPSWJLOMSA-N","384075",NA,"PDBC47055","673297","Present"
-"NSC673298","","","","","","","","","","","","","","","","","","","","NSC673298","","COC1=CC(=CC(=C1OC)OC)C2C3C(C(C24CC5=CC=CC=C5C4=O)C6=CC(=C(C(=C6)OC)OC)OC)C(=O)C7=CC=CC=C37","KYECQCYEEYSMRL-SIBIUCSDSA-N","384076",NA,"PDBC47056","673298","Present"
-"NSC673308","","","","","","","","","","","","","","","","","","","","NSC673308","","CC1=C(C=CC(=C1)C(=NO)C2=CC=CC=C2C3=NC4=CC=CC=C4C(O3)NCC5=CC=CC=C5)OC","QNPWBEVUXCCDMS-MDVFONAFSA-N","135509190",NA,"PDBC47057","673308","Present"
-"NSC673309","","","","","","","","","","","","","","","","","","","","NSC673309","","CC1=C(C=CC(=C1)C(=NO)C2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6)OC","XGWFSFRCXHAZOB-ONQIKCEGSA-N","135509191",NA,"PDBC47058","673309","Present"
-"NSC673416","","","","","","","","","","","","","","","","","","","","NSC673416","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCN.Cl","PMIVAIZUHSVBPZ-UHFFFAOYSA-N","384128",NA,"PDBC47059","673416","Present"
-"NSC673506","","","","","","","","","","","","","","","","","","","","NSC673506","","CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C3C(C(C(O3)CO)O)O","ALWLOQKKOSDASU-UHFFFAOYSA-N","384176",NA,"PDBC47060","673506","Present"
-"NSC673509","","","","","","","","","","","","","","","","","","","","NSC673509","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N=NN3C=CC4=CC=CC=C43","RSBINIDCPAMMCB-HNENSFHCSA-N","135509194",NA,"PDBC47061","673509","Present"
-"NSC673512","","","","","","","","","","","","","","","","","","","","NSC673512","","CC(C)C1N(O1)C(C)C2=CC=CC=C2","ANHGNQVTXYRZKT-YDGIUTOCSA-N","384180",NA,"PDBC47062","673512","Present"
-"NSC673513","","","","","","","","","","","","","","","","","","","","NSC673513","","CC(C)C1C(C(OC(O1)C(C)C)C(F)(F)F)C(=O)OC","LRHVPWQZWWKJHO-BTQIBKBOSA-N","384181",NA,"PDBC47063","673513","Present"
-"NSC673514","","","","","","","","","","","","","","","","","","","","NSC673514","","C1CCC(CC1)C2C(C(OC(O2)C3CCCCC3)C(F)(F)F)C(=O)O","OSUJCLBTJXTGCB-KLZNWCGWSA-N","384182",NA,"PDBC47064","673514","Present"
-"NSC673517","","","","","","","","","","","","","","","","","","","","NSC673517","","C1=CC=C(C=C1)NC=CC2=NN=NN2C3=CC=CC=C3","WLFAAIDOPWMSMR-QXMHVHEDSA-N","5367163",NA,"PDBC47065","673517","Present"
-"NSC673603","","","","","","","","","","","","","","","","","","","","NSC673603","","C1CN2CCC3=CC=CC=C3C2CC4=CC=CC=C41.Cl","LERINUCWELPOHA-UHFFFAOYSA-N","384197",NA,"PDBC47066","673603","Present"
-"NSC673612","","","","","","","","","","","","","","","","","","","","NSC673612","","COC1=C(C(=C2C(=C1)C(N3C(C2=O)CCC3=O)C4=CC=CC=C4)O)OC","XQJJLJLOUMYMST-CWQZNGJJSA-N","384207",NA,"PDBC47067","673612","Present"
-"NSC673613","","","","","","","","","","","","","","","","","","","","NSC673613","","COC1=C(C(=C2C(=C1)CN3C(C2=O)CCC3=O)O)OC","VMTGWQDILJULSC-QMMMGPOBSA-N","384208",NA,"PDBC47068","673613","Present"
-"NSC673616","","","","","","","","","","","","","","","","","","","","NSC673616","","COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)N3C(CCC3=O)C(=O)O","XJWFXGJFQNKXHY-FUKCDUGKSA-N","384211",NA,"PDBC47069","673616","Present"
-"NSC673838","","","","","","","","","","","","","","","","","","","","NSC673838","","CC(=NNC(=S)NN=C(C)C=CC1=CC=CC=C1)C=CC2=CC=CC=C2","HUYRYEFQLRCGGD-QZEWYEHCSA-N","6477487",NA,"PDBC47070","673838","Present"
-"NSC673843","","","","","","","","","","","","","","","","","","","","NSC673843","","CSC1=C(C(=NC2=C(C(=NN21)N)N=NC3=CC=C(C=C3)Br)N)C#N","ZZECBWFDLDJKKZ-UHFFFAOYSA-N","384285",NA,"PDBC47071","673843","Present"
-"NSC673907","","","","","","","","","","","","","","","","","","","","NSC673907","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC3CC4CCC2C4C3","PGJMKEPVTRHIJD-ISLYRVAYSA-N","9571938",NA,"PDBC47072","673907","Present"
-"NSC673917","","","","","","","","","","","","","","","","","","","","NSC673917","","COC(=O)C1C2CCC(N2C(=O)N)CC1OC(=O)C3=CC=CC=C3.OS(=O)(=O)O","QLEQDZADLHOXLK-UHFFFAOYSA-N","384300",NA,"PDBC47073","673917","Present"
-"NSC673918","","","","","","","","","","","","","","","","","","","","NSC673918","","CC(=N)OC1CC2CCC1(C2(C)C)C.Cl","ZRQSXZHXVGEDKU-UHFFFAOYSA-N","384302",NA,"PDBC47074","673918","Present"
-"NSC674030","","","","","","","","","","","","","","","","","","","","NSC674030","","CN1C2=CC=CC=C2C3=C1C4C(C=CCON4CC3)C(=O)O","DBJZOAREOSCFFY-CJNGLKHVSA-N","384342",NA,"PDBC47075","674030","Present"
-"NSC674034","","","","","","","","","","","","","","","","","","","","NSC674034","","C1CC2C3C1C4C2C(=O)OC4C3I","AXJLIBVTGUIXGP-SUMKSWLKSA-N","384343",NA,"PDBC47076","674034","Present"
-"NSC674063","","","","","","","","","","","","","","","","","","","","NSC674063","","CC(=O)OC1CN(CC(C1OC(=O)C)OC(=O)C)OCC2=CC=CC=C2","UCDGVVPWANHGAU-JWTNVVGKSA-N","384356",NA,"PDBC47077","674063","Present"
-"NSC674064","","","","","","","","","","","","","","","","","","","","NSC674064","","CCCCON1CC(C(C(C1)OC(=O)C)OC(=O)C)OC(=O)C","BXVHWILWXPDAIT-YIONKMFJSA-N","384357",NA,"PDBC47078","674064","Present"
-"NSC674065","","","","","","","","","","","","","","","","","","","","NSC674065","","COC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4)OC)OC)OC","GMKYVBRSWLJBBE-HYARGMPZSA-N","5468670",NA,"PDBC47079","674065","Present"
-"NSC674083","","","","","","","","","","","","","","","","","","","","NSC674083","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)N=NC2=CC=C(C=C2)Cl.Cl","MECQNZBYMLFIOS-UHFFFAOYSA-N","384374",NA,"PDBC47080","674083","Present"
-"NSC674090","","","","","","","","","","","","","","","","","","","","NSC674090","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6.Cl","YSFHVCROKDTCQH-UHFFFAOYSA-N","384382",NA,"PDBC47081","674090","Present"
-"NSC674176","","","","","","","","","","","","","","","","","","","","NSC674176","","CC(=O)OC1C(OCOC(C1OC(=O)C)CN=[N+]=[N-])CN=[N+]=[N-]","RZYLMGQKXGXGJZ-GWOFURMSSA-N","384404",NA,"PDBC47082","674176","Present"
-"NSC674177","","","","","","","","","","","","","","","","","","","","NSC674177","","C1COC(C(OCC2=CC(=CC(=C2[O-])COC(C(OCCO1)C3=CC=CC=C3)C4=CC=CC=C4)[N+]5=C(C=C(C=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","ZFPSLDIJFWVSOW-RLANMGNTSA-N","384405",NA,"PDBC47083","674177","Present"
-"NSC674178","","","","","","","","","","","","","","","","","","","","NSC674178","","C1C2=NC(=CC=C2)COC(C(OCC3=CC(=CC(=C3[O-])COC(C(O1)C4=CC=CC=C4)C5=CC=CC=C5)[N+]6=C(C=C(C=C6C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1","YBZSGXAKLFOYBT-BFNAIIQASA-N","16129909",NA,"PDBC47084","674178","Present"
-"NSC674182","","","","","","","","","","","","","","","","","","","","NSC674182","","COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)O","HFEXLDAKJKRVGR-UHFFFAOYSA-N","384407",NA,"PDBC47085","674182","Present"
-"NSC674183","","","","","","","","","","","","","","","","","","","","NSC674183","","COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)Br)O","URPKEYXONVTBBA-UHFFFAOYSA-N","384408",NA,"PDBC47086","674183","Present"
-"NSC674184","","","","","","","","","","","","","","","","","","","","NSC674184","","COC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O","DPSXXNUNWHUVDI-UHFFFAOYSA-N","384409",NA,"PDBC47087","674184","Present"
-"NSC674185","","","","","","","","","","","","","","","","","","","","NSC674185","","COC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)Br)O","WYDFMTIICROOBI-UHFFFAOYSA-N","384410",NA,"PDBC47088","674185","Present"
-"NSC674187","","","","","","","","","","","","","","","","","","","","NSC674187","","COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)I)O","GVBRVIKSOFNBJJ-UHFFFAOYSA-N","384412",NA,"PDBC47089","674187","Present"
-"NSC674189","","","","","","","","","","","","","","","","","","","","NSC674189","","COC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)I)O","NZQNXOYKXRFYCG-UHFFFAOYSA-N","384414",NA,"PDBC47090","674189","Present"
-"NSC674212","","","","","","","","","","","","","","","","","","","","NSC674212","","C1=CC=C(C=C1)C=C(CN2C=CN=C2)C3=CC=C(C=C3)Cl","QSZMMFOIEFHWQT-ATVHPVEESA-N","5468677",NA,"PDBC47091","674212","Present"
-"NSC674213","","","","","","","","","","","","","","","","","","","","NSC674213","","C1=CC=C(C=C1)C=C(CN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-]","OWJLTHRXWUXFEI-ATVHPVEESA-N","5468678",NA,"PDBC47092","674213","Present"
-"NSC674214","","","","","","","","","","","","","","","","","","","","NSC674214","","C1=CC=C(C=C1)C=C(CN2C=CN=C2)C3=CC=C(C=C3)Cl","QSZMMFOIEFHWQT-SFQUDFHCSA-N","5468679",NA,"PDBC47093","674214","Present"
-"NSC674219","","","","","","","","","","","","","","","","","","","","NSC674219","","CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C4CCC(=C5C4N(C6=CC=CC=C65)C)C7=CC=CC=C7)C","WINTVAVZIUTRHU-DGFZWTNDSA-N","384438",NA,"PDBC47094","674219","Present"
-"NSC674220","","","","","","","","","","","","","","","","","","","","NSC674220","","CC1=C2C(C(CC1)C(=O)N3C4CC5CCC4(C5(C)C)CS3(=O)=O)N(C6=CC=CC=C62)S(=O)(=O)C7=CC=CC=C7","IATUUEDPDYQBBT-DGFZWTNDSA-N","384439",NA,"PDBC47095","674220","Present"
-"NSC674230","","","","","","","","","","","","","","","","","","","","NSC674230","","C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC5=CC=CC=C5.Cl","UKYIVMXVJKKGBP-UHFFFAOYSA-N","384449",NA,"PDBC47096","674230","Present"
-"NSC674594","","","","","","","","","","","","","","","","","","","","NSC674594","","C1CC(C(CC1N)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.Cl","PAJOSINUMLBLCW-UHFFFAOYSA-N","384580",NA,"PDBC47097","674594","Present"
-"NSC674603","","","","","","","","","","","","","","","","","","","","NSC674603","","C1CCC(C(C1)N)NCCNC2CCCCC2N.Cl","QQAMYBOFACDMSU-UHFFFAOYSA-N","384590",NA,"PDBC47098","674603","Present"
-"NSC674707","","","","","","","","","","","","","","","","","","","","NSC674707","","C1CC2=C(C1)C(=O)C3C4C(C2O3)COC4=O","QZDQZPABZVFIRS-SCVMZPAESA-N","384662",NA,"PDBC47099","674707","Present"
-"NSC674713","","","","","","","","","","","","","","","","","","","","NSC674713","","CC1=CC2=C(C=C1)OCCC(=NNC3=CC=C(C=C3)Cl)C2=O","MCFYEZLDJMSGHM-HMMYKYKNSA-N","5466098",NA,"PDBC47100","674713","Present"
-"NSC674714","","","","","","","","","","","","","","","","","","","","NSC674714","","CC1=CC2=C(C=C1)OCCC(=NNC3=CC=C(C=C3)OC)C2=O","DEPNCMKAEOZOOB-CAPFRKAQSA-N","5466099",NA,"PDBC47101","674714","Present"
-"NSC674715","","","","","","","","","","","","","","","","","","","","NSC674715","","CC1=CC2=C(C=C1C)OCCC(=NNC3=CC=C(C=C3)F)C2=O","DEZGTXPIOVWETH-LTGZKZEYSA-N","5466100",NA,"PDBC47102","674715","Present"
-"NSC674967","","","","","","","","","","","","","","","","","","","","NSC674967","","C1CC2=C(C1)C=C(C=C2)CC3(CC4=CC=CC=C4C3=O)C(=O)O.[K+]","IOEZUTNDRQAJHS-UHFFFAOYSA-N","54608212",NA,"PDBC47103","674967","Present"
-"NSC674991","","","","","","","","","","","","","","","","","","","","NSC674991","","C[Si](C)(C1S(=O)(=O)OCCOS1(=O)=O)OCCS(=O)(=O)O.[Na+]","PJXMEFXMDWJPDY-UHFFFAOYSA-N","54599675",NA,"PDBC47104","674991","Present"
-"NSC674992","","","","","","","","","","","","","","","","","","","","NSC674992","","C[Si](C)(C1(S(=O)(=O)OCCOS1(=O)=O)CC2=CC=CC3=CC=CC=C32)OCCS(=O)(=O)O.[Na+]","VHXQSZSMXBPPBL-UHFFFAOYSA-N","54608905",NA,"PDBC47105","674992","Present"
-"NSC675220","","","","","","","","","","","","","","","","","","","","NSC675220","","CC1=NNC(=O)N1N=CC2=CC=CC=C2","JIBFXUZSLIJYJY-XFFZJAGNSA-N","5910554",NA,"PDBC47106","675220","Present"
-"NSC675222","","","","","","","","","","","","","","","","","","","","NSC675222","","C1=CC=C(C=C1)C=NN2C(=NNC2=O)C3=CC=CC=C3","PUZXUSOTUOCXFG-WJDWOHSUSA-N","5935553",NA,"PDBC47107","675222","Present"
-"NSC675224","","","","","","","","","","","","","","","","","","","","NSC675224","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=CC=C3","NRDSBBVQVGMRRD-ATVHPVEESA-N","5913384",NA,"PDBC47108","675224","Present"
-"NSC675263","","","","","","","","","","","","","","","","","","","","NSC675263","","C1C2CC3=C(C2C4C1CC5=C4C(=NN=C5C6=CC=CC=N6)C7=CC=CC=N7)C(=NN=C3C8=CC=CC=N8)C9=CC=CC=N9","WCPYKJXLZBLBMW-OERYEWLJSA-N","384813",NA,"PDBC47109","675263","Present"
-"NSC675264","","","","","","","","","","","","","","","","","","","","NSC675264","","CC(=O)OC(C1C(OC(O1)(C)C)C2COC(O2)(C)C)C3=NC=CN3CC4=CC=CC=C4","UUJOFFOYPMMDCI-YSTOQKLRSA-N","384814",NA,"PDBC47110","675264","Present"
-"NSC675360","","","","","","","","","","","","","","","","","","","","NSC675360","","CC1=CN(C(=O)NC1=O)C2CC(C2O)CO","CECZZMQFNWBMPG-PRJMDXOYSA-N","384842",NA,"PDBC47111","675360","Present"
-"NSC675361","","","","","","","","","","","","","","","","","","","","NSC675361","","CC1=CN(C(=O)NC1=O)C2C(CC2O)CO","LPPJTBCAQADZDM-PRJMDXOYSA-N","384843",NA,"PDBC47112","675361","Present"
-"NSC675470","","","","","","","","","","","","","","","","","","","","NSC675470","","COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=CC(=C3)OC)OC)OC","IOSKCEFQVANUTJ-QFBILLFUSA-N","384874",NA,"PDBC47113","675470","Present"
-"NSC675475","","","","","","","","","","","","","","","","","","","","NSC675475","","COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC=C(C=C3)Br)OC","JXGLEVMVAOLYNY-DOTOQJQBSA-N","384879",NA,"PDBC47114","675475","Present"
-"NSC675476","","","","","","","","","","","","","","","","","","","","NSC675476","","COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=CC=C3)Br)OC","UOYVNYXGIOTHLU-DOTOQJQBSA-N","384880",NA,"PDBC47115","675476","Present"
-"NSC675564","","","","","","","","","","","","","","","","","","","","NSC675564","","CC1CC(C23COC(=O)C1(C2CCC(C34CO4)O)CC(C5=COC=C5)O)OC(=O)C","XUTVYBGHJNBZLU-ZTZCTCQOSA-N","384889",NA,"PDBC47116","675564","Present"
-"NSC675573","","","","","","","","","","","","","","","","","","","","NSC675573","","C1CC2C(=O)NC3=NC=CN=C3C(=O)N2C1","YIFRONCHFKOSBC-LURJTMIESA-N","384891",NA,"PDBC47117","675573","Present"
-"NSC675583","","","","","","","","","","","","","","","","","","","","NSC675583","","CN(C)CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)Cl)OC(=O)C3=CC=CC=C3.Cl","ZOKMSTQVSHJLCS-UHFFFAOYSA-N","384896",NA,"PDBC47118","675583","Present"
-"NSC675812","","","","","","","","","","","","","","","","","","","","NSC675812","","CN(C)CCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O.Cl","XRINZHYXVBMARE-UHFFFAOYSA-N","54680434",NA,"PDBC47119","675812","Present"
-"NSC675813","","","","","","","","","","","","","","","","","","","","NSC675813","","CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCCCN(C)C)O.Cl","YLYBXNINKSVFLV-UHFFFAOYSA-N","54680436",NA,"PDBC47120","675813","Present"
-"NSC675814","","","","","","","","","","","","","","","","","","","","NSC675814","","CCC[N+](C)(C)CCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O.[Br-]","QYDPQVDVKLCLAC-UHFFFAOYSA-N","54680438",NA,"PDBC47121","675814","Present"
-"NSC675855","","","","","","","","","","","","","","","","","","","","NSC675855","","CC1C=CC(CC(CC(CC(CC(CC(CC(CC(CC=CC=CC=CC=CC=CC(=O)OC1C(C)C)O)O)O)O)O)O)O)O","ZYHODWCHANZFES-SFXPQRLSSA-N","5468748",NA,"PDBC47122","675855","Present"
-"NSC675862","","","","","","","","","","","","","","","","","","","","NSC675862","","CC(=O)OCC1C(C(C(C2=NN=NN2O1)OC(=O)C)OC(=O)C)OC(=O)C","PFRTWZMTMWCXRK-FVCCEPFGSA-N","385009",NA,"PDBC47123","675862","Present"
-"NSC675870","","","","","","","","","","","","","","","","","","","","NSC675870","","CCOC(=O)C1=C(SN=C1N2CCCC2)NC3=CC=CC=C3.Br","GHENMIFZSSFCOB-UHFFFAOYSA-N","385016",NA,"PDBC47124","675870","Present"
-"NSC675985","","","","","","","","","","","","","","","","","","","","NSC675985","","C1CCN(C1)CCNC(=O)C2=CN3C(=N2)C=CC4=C3C(=O)C5=CC=CC=C5S4","ALVQMLUYWKLULI-UHFFFAOYSA-N","385056",NA,"PDBC47125","675985","Present"
-"NSC675988","","","","","","","","","","","","","","","","","","","","NSC675988","","CN(C)CCCNC(=O)C1=CN2C(=N1)C=CC3=C2C(=O)C4=CC=CC=C4S3","VPBDEASCVVRRKT-UHFFFAOYSA-N","385059",NA,"PDBC47126","675988","Present"
-"NSC676001","","","","","","","","","","","","","","","","","","","","NSC676001","","C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(S3)CO)O)O","HJYJLNGDBFAKPJ-UHFFFAOYSA-N","135420436",NA,"PDBC47127","676001","Present"
-"NSC676011","","","","","","","","","","","","","","","","","","","","NSC676011","","CCC1(CN(C2CC1C(=O)C3=C2C4=CC=CC=C4N3)CCOC)O","GKHVLFFRJVIFRR-DEYXKNCISA-N","385082",NA,"PDBC47128","676011","Present"
-"NSC676027","","","","","","","","","","","","","","","","","","","","NSC676027","","COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC","YSDMESBIEUSJBT-QVYQDBIISA-N","385092",NA,"PDBC47129","676027","Present"
-"NSC676140","","","","","","","","","","","","","","","","","","","","NSC676140","","CN(C1=NCCN1)N=C(C2=CC=CC=C2)C(=O)O.I","PKMVCPWXJOJBBK-AZJSCORLSA-N","9571943",NA,"PDBC47130","676140","Present"
-"NSC676141","","","","","","","","","","","","","","","","","","","","NSC676141","","CN(C1=NCCCN1)N=C(C2=CC=CC=C2)C(=O)O.I","ZKWFSEASZVCIDE-MWVRIADDSA-N","9571944",NA,"PDBC47131","676141","Present"
-"NSC676142","","","","","","","","","","","","","","","","","","","","NSC676142","","CN(C1=NCCCCN1)N=C(C2=CC=CC=C2)C(=O)O.I","DEHQCWWHZWHQIT-HBPAQXCTSA-N","9571945",NA,"PDBC47132","676142","Present"
-"NSC676143","","","","","","","","","","","","","","","","","","","","NSC676143","","CN(C1=NCCN1)N=CC2=CC3=CC=CC=C3C=C2.I","PGZSJIPFCIYABV-VVTVMFAVSA-N","6519025",NA,"PDBC47133","676143","Present"
-"NSC676144","","","","","","","","","","","","","","","","","","","","NSC676144","","CN(C1=NCCCN1)N=CC2=CC3=CC=CC=C3C=C2.I","RVEPBSYHJFNHGP-JHMJKTBASA-N","6519026",NA,"PDBC47134","676144","Present"
-"NSC676145","","","","","","","","","","","","","","","","","","","","NSC676145","","CN(C1=NCCCCN1)N=CC2=CC3=CC=CC=C3C=C2.I","VTJWUIBPUXWVIW-MASIZSFYSA-N","6519027",NA,"PDBC47135","676145","Present"
-"NSC676146","","","","","","","","","","","","","","","","","","","","NSC676146","","C1CN=C(N1)NN=CC2=CC3=CC=CC=C3C=C2.I","OEGRMAHYRVIFMH-LZMXEPDESA-N","9556208",NA,"PDBC47136","676146","Present"
-"NSC676147","","","","","","","","","","","","","","","","","","","","NSC676147","","C1CNC(=NC1)NN=CC2=CC3=CC=CC=C3C=C2.I","COTFKWGNLPJOEM-NWBUNABESA-N","9556210",NA,"PDBC47137","676147","Present"
-"NSC676148","","","","","","","","","","","","","","","","","","","","NSC676148","","C1CCN=C(NC1)NN=CC2=CC3=CC=CC=C3C=C2.I","KPUKCGZHBRAMBY-NNTHFVATSA-N","9556212",NA,"PDBC47138","676148","Present"
-"NSC676149","","","","","","","","","","","","","","","","","","","","NSC676149","","COC1=C(C=CC(=C1)C=NNC2=NCCN2)O.I","MTIOFBJWRAAWKU-FJUODKGNSA-N","135509198",NA,"PDBC47139","676149","Present"
-"NSC676150","","","","","","","","","","","","","","","","","","","","NSC676150","","COC1=C(C=CC(=C1)C=NNC2=NCCCN2)O.I","IRRSAZDNPAOYHJ-TWNLEINFSA-N","135509199",NA,"PDBC47140","676150","Present"
-"NSC676151","","","","","","","","","","","","","","","","","","","","NSC676151","","COC1=C(C=CC(=C1)C=NNC2=NCCCCN2)O.I","WTNNBASNNGKLOZ-QOVZSLTQSA-N","135509200",NA,"PDBC47141","676151","Present"
-"NSC676152","","","","","","","","","","","","","","","","","","","","NSC676152","","C1CN=C(N1)NN=CCC2=CC3=C(C=C2)OCO3.I","YFABCIKSKWOUGE-HDNKIUSMSA-N","9556214",NA,"PDBC47142","676152","Present"
-"NSC676153","","","","","","","","","","","","","","","","","","","","NSC676153","","C1CNC(=NC1)NN=CCC2=CC3=C(C=C2)OCO3.I","NYBIULBJOFUPNX-OYXUYBEVSA-N","9556216",NA,"PDBC47143","676153","Present"
-"NSC676154","","","","","","","","","","","","","","","","","","","","NSC676154","","C1CCN=C(NC1)NN=CCC2=CC3=C(C=C2)OCO3.I","BCOGTTPQYLVRDK-XIDBHWPPSA-N","9556218",NA,"PDBC47144","676154","Present"
-"NSC676155","","","","","","","","","","","","","","","","","","","","NSC676155","","CN(C1=NCCN1)NC(=O)CCCl.I","NHZPSRHVDSTOBG-UHFFFAOYSA-N","385131",NA,"PDBC47145","676155","Present"
-"NSC676156","","","","","","","","","","","","","","","","","","","","NSC676156","","CN(C1=NCCCCN1)NC(=O)CCCl.I","ZINXYRLLTDENOR-UHFFFAOYSA-N","385133",NA,"PDBC47146","676156","Present"
-"NSC676157","","","","","","","","","","","","","","","","","","","","NSC676157","","CN(C1=NCCN1)NC(=O)C2=CC=CO2.I","UQCWAUZTIJODSQ-UHFFFAOYSA-N","385135",NA,"PDBC47147","676157","Present"
-"NSC676158","","","","","","","","","","","","","","","","","","","","NSC676158","","CN(C1=NCCCCN1)NC(=O)C2=CC=CO2.I","LHEYNRNPHHXSBY-UHFFFAOYSA-N","385137",NA,"PDBC47148","676158","Present"
-"NSC676159","","","","","","","","","","","","","","","","","","","","NSC676159","","CCOC(=O)C(=O)C(=O)NN(C)C1=NCCN1.I","UQYWGEKCZLZLIS-UHFFFAOYSA-N","385139",NA,"PDBC47149","676159","Present"
-"NSC676160","","","","","","","","","","","","","","","","","","","","NSC676160","","C1CN=C(N1)NNC(=O)CCCl.I","OAFOFDRQABEOSP-UHFFFAOYSA-N","385141",NA,"PDBC47150","676160","Present"
-"NSC676161","","","","","","","","","","","","","","","","","","","","NSC676161","","C1CNC(=NC1)NNC(=O)CCCl.I","PCUMYMZHSZBEEV-UHFFFAOYSA-N","385143",NA,"PDBC47151","676161","Present"
-"NSC676162","","","","","","","","","","","","","","","","","","","","NSC676162","","C1CCN=C(NC1)NNC(=O)CCCl.I","APWYYYVDRJHSGH-UHFFFAOYSA-N","385145",NA,"PDBC47152","676162","Present"
-"NSC676163","","","","","","","","","","","","","","","","","","","","NSC676163","","C1CN=C(N1)NNC(=O)C2=CC=CO2.I","VXSBRIUASUPLCS-UHFFFAOYSA-N","385147",NA,"PDBC47153","676163","Present"
-"NSC676164","","","","","","","","","","","","","","","","","","","","NSC676164","","C1CNC(=NC1)NNC(=O)C2=CC=CO2.I","DVUACCROQCCUEB-UHFFFAOYSA-N","385149",NA,"PDBC47154","676164","Present"
-"NSC676165","","","","","","","","","","","","","","","","","","","","NSC676165","","CCOC(=O)CC(=O)C(=O)NNC1=NCCN1.I","ZKJXBDALQDDTNV-UHFFFAOYSA-N","385151",NA,"PDBC47155","676165","Present"
-"NSC676166","","","","","","","","","","","","","","","","","","","","NSC676166","","CCOC(=O)CC(=O)C(=O)NNC1=NCCCN1.I","GBPPITVAYIIQTN-UHFFFAOYSA-N","385153",NA,"PDBC47156","676166","Present"
-"NSC676167","","","","","","","","","","","","","","","","","","","","NSC676167","","C1CN=C(N1)N(CCO)N=CC2=CC=CC=C2C(=O)O.I","SEUDNKGQPBRGHR-LFMIJCLESA-N","6519040",NA,"PDBC47157","676167","Present"
-"NSC676168","","","","","","","","","","","","","","","","","","","","NSC676168","","C1CN=C(N1)N(CCO)N=CC2=CC=C(C=C2)C(=O)O.I","CAJBDIYWNYZYFO-LFMIJCLESA-N","6519041",NA,"PDBC47158","676168","Present"
-"NSC676169","","","","","","","","","","","","","","","","","","","","NSC676169","","C1CN=C(N1)N(CCO)N=CC2=CC3=CC=CC=C3C=C2.I","PZICQXQKGOKQBO-JHMJKTBASA-N","6519042",NA,"PDBC47159","676169","Present"
-"NSC676170","","","","","","","","","","","","","","","","","","","","NSC676170","","CC1=NN=C2N(CCN2C1=O)C.I","NWQQBFSSLNVBBQ-UHFFFAOYSA-N","385161",NA,"PDBC47160","676170","Present"
-"NSC676171","","","","","","","","","","","","","","","","","","","","NSC676171","","CC1=NN=C2N(CCCN2C1=O)C.I","YNSXDPLHCPDBAT-UHFFFAOYSA-N","385163",NA,"PDBC47161","676171","Present"
-"NSC676174","","","","","","","","","","","","","","","","","","","","NSC676174","","CC(=NN(C)C1=NCCCN1)C=NN(C)C2=NCCCN2.I","UZKSZYRJFZJCHI-NCDXRVSQSA-N","54604776",NA,"PDBC47162","676174","Present"
-"NSC676175","","","","","","","","","","","","","","","","","","","","NSC676175","","CC(=NN(C)C1=NCCCCN1)C=NN(C)C2=NCCCCN2.I","WFIBVPZBDFSGHV-VXWLLWAYSA-N","54608145",NA,"PDBC47163","676175","Present"
-"NSC676177","","","","","","","","","","","","","","","","","","","","NSC676177","","CN(C1=NCCCCN1)N=CC2=CC=C(C=C2)C(=O)O.I","FJXYTDLHXMLFPD-LZMXEPDESA-N","9571946",NA,"PDBC47164","676177","Present"
-"NSC676178","","","","","","","","","","","","","","","","","","","","NSC676178","","C1CCN=C(NC1)NNC(=S)NC2=CC=CC=C2.I","CEDAVORHTGFCAG-UHFFFAOYSA-N","5468779",NA,"PDBC47165","676178","Present"
-"NSC676311","","","","","","","","","","","","","","","","","","","","NSC676311","","C1C(CC1(CNC2=NC(=NC=C2)N)CO)CCC3=CC=CC=C3.Cl","HTTSMQUPMLQLOI-UHFFFAOYSA-N","385196",NA,"PDBC47166","676311","Present"
-"NSC676369","","","","","","","","","","","","","","","","","","","","NSC676369","","C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO)CCC3=CC=CC=C3","KHYIYHSQSYBJBJ-UHFFFAOYSA-N","385258",NA,"PDBC47167","676369","Present"
-"NSC676372","","","","","","","","","","","","","","","","","","","","NSC676372","","C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=NO)CO","UXBBHBPPLDBNCB-TVPGTPATSA-N","6070198",NA,"PDBC47168","676372","Present"
-"NSC676373","","","","","","","","","","","","","","","","","","","","NSC676373","","C1C(=O)CC1(CNC2=C(C(=NC(=N2)N)Cl)C=NO)CO","HOMHDAPRZDAWKF-CQPUUCJISA-N","6079137",NA,"PDBC47169","676373","Present"
-"NSC676374","","","","","","","","","","","","","","","","","","","","NSC676374","","COC1(CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=NO)CO)OC","TTZRPJZHSKGHHC-YPEHOIGNSA-N","5937646",NA,"PDBC47170","676374","Present"
-"NSC676403","","","","","","","","","","","","","","","","","","","","NSC676403","","CCOP(=O)(CC=CCN1C=NC(=C1N)C(=O)N)OCC","ULKDOTKXFMLRPE-WAYWQWQTSA-N","54608574",NA,"PDBC47171","676403","Present"
-"NSC676413","","","","","","","","","","","","","","","","","","","","NSC676413","","C1C(CC1(CNC2=C(C=CC=N2)[N+](=O)[O-])CO)CC3=CC=CC=C3","LIUGIFABLZLLRW-UHFFFAOYSA-N","385301",NA,"PDBC47172","676413","Present"
-"NSC676446","","","","","","","","","","","","","","","","","","","","NSC676446","","CCOC(=O)C1=C(C2=CC=CC=C2N1)C(=O)CC(C(=O)OC)NC(=O)C(F)(F)F","KBKCITLFWGMLKS-NSHDSACASA-N","385328",NA,"PDBC47173","676446","Present"
-"NSC676447","","","","","","","","","","","","","","","","","","","","NSC676447","","CCOC(=O)C1=C2CCC(C(=O)C3=C2C(=CC=C3)N1)NC(=O)C(F)(F)F","JMGZHRPBQWBPDI-NSHDSACASA-N","385329",NA,"PDBC47174","676447","Present"
-"NSC676495","","","","","","","","","","","","","","","","","","","","NSC676495","","","","",NA,"PDBC47175","676495","Present"
-"NSC676523","","","","","","","","","","","","","","","","","","","","NSC676523","","CCOC(=O)C(C(C(=O)NCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O)O","KMIFGTJBQUYBBJ-QZTJIDSGSA-N","385373",NA,"PDBC47176","676523","Present"
-"NSC676537","","","","","","","","","","","","","","","","","","","","NSC676537","","COC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O","UABVIHGPHXDZKO-UHFFFAOYSA-N","385375",NA,"PDBC47177","676537","Present"
-"NSC676578","","","","","","","","","","","","","","","","","","","","NSC676578","","COC(=O)C1CC2(C(N1C(=O)OC)N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)Br","ZTPCZSYBHQHGBJ-QRFRQXIXSA-N","385403",NA,"PDBC47178","676578","Present"
-"NSC676579","","","","","","","","","","","","","","","","","","","","NSC676579","","COC(=O)C1CC2(C(N1C(=O)OC)N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)CC=C","CEXFEIWQCNJDFJ-IEIRFRATSA-N","385404",NA,"PDBC47179","676579","Present"
-"NSC676581","","","","","","","","","","","","","","","","","","","","NSC676581","","CC(=CCC12CC(N(C1N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C(=O)OC)C(=O)OC)C","LCWWUVQBBNRMRX-UMXIMWEHSA-N","385406",NA,"PDBC47180","676581","Present"
-"NSC676583","","","","","","","","","","","","","","","","","","","","NSC676583","","CC(=CCC12CCNC1N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C","PPCCDDMYZCTWHI-LEWJYISDSA-N","385408",NA,"PDBC47181","676583","Present"
-"NSC676584","","","","","","","","","","","","","","","","","","","","NSC676584","","CC(=CCC12CCN(C1N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C)C","HODDMWCQFNLOHF-FCHUYYIVSA-N","385409",NA,"PDBC47182","676584","Present"
-"NSC676586","","","","","","","","","","","","","","","","","","","","NSC676586","","","","",NA,"PDBC47183","676586","Present"
-"NSC676587","","","","","","","","","","","","","","","","","","","","NSC676587","","","","",NA,"PDBC47184","676587","Present"
-"NSC676588","","","","","","","","","","","","","","","","","","","","NSC676588","","","","",NA,"PDBC47185","676588","Present"
-"NSC676589","","","","","","","","","","","","","","","","","","","","NSC676589","","","","",NA,"PDBC47186","676589","Present"
-"NSC676681","","","","","","","","","","","","","","","","","","","","NSC676681","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCN(C)C)C)NC(=O)CCC=C3C4CCC3N=N4","YJGRWHYWBQBBSY-BGYRXZFFSA-N","385445",NA,"PDBC47187","676681","Present"
-"NSC676689","","","","","","","","","","","","","","","","","","","","NSC676689","","C1=CSC2=C1N(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","BXHVEARKNSUHAO-UHFFFAOYSA-N","385451",NA,"PDBC47188","676689","Present"
-"NSC676706","","","","","","","","","","","","","","","","","","","","NSC676706","","COC(=O)C1CN(C(=O)N1)C(=O)C2=CC=CC=C2","CFMJVOSEWRJGEP-VIFPVBQESA-N","385469",NA,"PDBC47189","676706","Present"
-"NSC676708","","","","","","","","","","","","","","","","","","","","NSC676708","","COC(=O)C1CN(C(=O)N1)C(=O)CCC2=CC=CC=C2","ZJVZAJZTMLOELN-NSHDSACASA-N","385473",NA,"PDBC47190","676708","Present"
-"NSC676710","","","","","","","","","","","","","","","","","","","","NSC676710","","COC(=O)C1CN(C(=O)N1C(=O)OCC2=CC=CC=C2)C(=O)C3=CC=CC=C3","CQFXQUCDNZKJIX-INIZCTEOSA-N","385476",NA,"PDBC47191","676710","Present"
-"NSC676722","","","","","","","","","","","","","","","","","","","","NSC676722","","CC(C)CCC1=NNC(=O)N1N=CC2=CC=CC=C2","WBFPWFFAZYWBPJ-GDNBJRDFSA-N","5919577",NA,"PDBC47192","676722","Present"
-"NSC676751","","","","","","","","","","","","","","","","","","","","NSC676751","","CC(C)OP(=O)(CN(C)C(=NC(F)(F)F)F)OC(C)C","RLEPUBDMORFTMY-DHDCSXOGSA-N","5772798",NA,"PDBC47193","676751","Present"
-"NSC676759","","","","","","","","","","","","","","","","","","","","NSC676759","","CCC1(N(C(=NP1(=O)O)NC#N)C)C.N","ONFULSSCMSAXAF-UHFFFAOYSA-N","385510",NA,"PDBC47194","676759","Present"
-"NSC676760","","","","","","","","","","","","","","","","","","","","NSC676760","","CCC1=NC(N=C(O1)N=C(N)N(C)C(C(C)C)P(=O)(OC(C)C)OC(C)C)(C(F)(F)F)C(F)(F)F","BRRBBMGKRWVXNP-UHFFFAOYSA-N","5466124",NA,"PDBC47195","676760","Present"
-"NSC676761","","","","","","","","","","","","","","","","","","","","NSC676761","","CC(C)C(N(C)C(=NC1=NC(N=C(O1)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)N)P(=O)(OC(C)C)OC(C)C","IZJWLHBRJGIBGU-UHFFFAOYSA-N","5466125",NA,"PDBC47196","676761","Present"
-"NSC676762","","","","","","","","","","","","","","","","","","","","NSC676762","","CCOC1=NC(N=C(O1)N=C(N)N(C)C(C(C)C)P(=O)(OC(C)C)OC(C)C)(C(F)(F)F)C(F)(F)F","BMGKUMOJIJODJU-UHFFFAOYSA-N","5466126",NA,"PDBC47197","676762","Present"
-"NSC676772","","","","","","","","","","","","","","","","","","","","NSC676772","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O","SNUYYOZIHXZPOM-WYDBGDADSA-N","385521",NA,"PDBC47198","676772","Present"
-"NSC676775","","","","","","","","","","","","","","","","","","","","NSC676775","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O","QWABEDSRNSIDQD-DZZWWZRLSA-N","385523",NA,"PDBC47199","676775","Present"
-"NSC676790","","","","","","","","","","","","","","","","","","","","NSC676790","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)OC1C(C(C(CO1)O)O)O)O)O","DXDGYHVNDYHARV-MXCJHSMASA-N","385534",NA,"PDBC47200","676790","Present"
-"NSC676794","","","","","","","","","","","","","","","","","","","","NSC676794","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)OC9C(C(CO9)(CO)O)O)OC1C(C(C(CO1)O)O)O","OOAPEJATVYBYAK-HNVHDFDLSA-N","385536",NA,"PDBC47201","676794","Present"
-"NSC676813","","","","","","","","","","","","","","","","","","","","NSC676813","","CC1CC(CC23C1CC=C2C4(C(CC3)C5(CCC(C(C5CC4OC6C(C(C(C(O6)COC(=O)C)O)O)O)(C)C)OC(=O)C)C)C)O","LPACKYGZTBCRNX-BIVVTSMRSA-N","385545",NA,"PDBC47202","676813","Present"
-"NSC676814","","","","","","","","","","","","","","","","","","","","NSC676814","","CC1C2CC=C3C2(CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C)CC(C1=C)O","URGDJCBVOFJTIO-GANRYBLHSA-N","385546",NA,"PDBC47203","676814","Present"
-"NSC676831","","","","","","","","","","","","","","","","","","","","NSC676831","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C6C5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)CO)O)C)C)C2C1C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O","GEPCFINLGINXJO-VAZFKZGESA-N","5468819",NA,"PDBC47204","676831","Present"
-"NSC676832","","","","","","","","","","","","","","","","","","","","NSC676832","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC6C(C5(CO)CO)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)C)C)C2C1C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O","BKHAOLZXLIFTQI-HLAOACMRSA-N","5468820",NA,"PDBC47205","676832","Present"
-"NSC676835","","","","","","","","","","","","","","","","","","","","NSC676835","","CC(C)C(=O)OCC1=CCC2C(CC(=CC3C1O3)C=O)OC(=O)C2=C","DKEPXXSPYUPBQB-ASAKZQPNSA-N","5468821",NA,"PDBC47206","676835","Present"
-"NSC676855","","","","","","","","","","","","","","","","","","","","NSC676855","","COC(=O)C1CC2(C(N1C(=O)OC)N(C3=CC=CC=C32)C(=O)C(F)(F)F)C4C=CN(C=C4)C(=O)C(F)(F)F","FDNFNTGYACOUTP-HZUJVAHNSA-N","385566",NA,"PDBC47207","676855","Present"
-"NSC676856","","","","","","","","","","","","","","","","","","","","NSC676856","","C1=CC=C(C=C1)C=C(C=NNC(=O)CSC2=NC(=CC3=NC=NN32)N)Br","CLOXJEWROPOQMG-KETOFPQSSA-N","6911815",NA,"PDBC47208","676856","Present"
-"NSC676857","","","","","","","","","","","","","","","","","","","","NSC676857","","CC(=O)OCC1C(C(C(C(O1)OC2C=CC(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C","GFIMWEJQHUYXDX-WABFHLJMSA-N","385568",NA,"PDBC47209","676857","Present"
-"NSC676858","","","","","","","","","","","","","","","","","","","","NSC676858","","CC(=O)OCC1C(C(C(C(O1)OC2C=CC(N3N2C(=O)C4=CC=CC=C4C3=O)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C","ZQNZHOZMDMJYRN-PJQUKWJVSA-N","385569",NA,"PDBC47210","676858","Present"
-"NSC676860","","","","","","","","","","","","","","","","","","","","NSC676860","","C1CCN2CCCC(C2C1)CC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl","XEJPICPNWDTWAV-FUHWJXTLSA-N","385570",NA,"PDBC47211","676860","Present"
-"NSC676866","","","","","","","","","","","","","","","","","","","","NSC676866","","CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC=CC4=CC=CC=C4)CC5=CC(=CC(=C5OCC=CC6=CC=CC=C6)CC7=C(C(=CC(=C7)C(C#N)(OCC=CC8=CC=CC=C8)OCC=CC9=CC=CC=C9)C2)OCC=CC1=CC=CC=C1)C(C)(C)C)C(C#N)(OCC=CC1=CC=CC=C1)OCC=CC1=CC=CC=C1)OCC=CC1=CC=CC=C1","RSXFHPFCLIEVMQ-VIWXVDKGSA-N","54604780",NA,"PDBC47212","676866","Present"
-"NSC676867","","","","","","","","","","","","","","","","","","","","NSC676867","","CC1(CC2(CC(=C1OC)C(C#CC=CC#C2)O)OC)C","ZDFMSNVIJGOOMH-SMKJSZSYSA-N","5468823",NA,"PDBC47213","676867","Present"
-"NSC676868","","","","","","","","","","","","","","","","","","","","NSC676868","","C1=CC=C(C=C1)CN2C(=O)C=CN(C2=O)C3C(C(C(O3)CO)O)F","BQPMAFKIDWZUQO-UHFFFAOYSA-N","385575",NA,"PDBC47214","676868","Present"
-"NSC676869","","","","","","","","","","","","","","","","","","","","NSC676869","","C1=CC(=CC=C1C(=O)CN2C(=O)C=CN(C2=O)C3C(C(C(O3)CO)O)F)F","ASVJWYTWDFDNEV-UHFFFAOYSA-N","385576",NA,"PDBC47215","676869","Present"
-"NSC676880","","","","","","","","","","","","","","","","","","","","NSC676880","","CC(=O)N1CC[N+](CC1)(C)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42.[I-]","JTDGBUUONMUJTC-UHFFFAOYSA-M","385582",NA,"PDBC47216","676880","Present"
-"NSC676890","","","","","","","","","","","","","","","","","","","","NSC676890","","COC1=C(C(=C2C(=C1)C3C(C2=O)N3C(=O)NCCCl)OC)OC","BJKXYZSWAISYIK-QMZNTLOPSA-N","385593",NA,"PDBC47217","676890","Present"
-"NSC676891","","","","","","","","","","","","","","","","","","","","NSC676891","","COC1=C(C(=C2C(=C1)C(C(C2=O)Br)NC(=O)NCCCl)OC)OC","WIEHQZCTAYGORB-MNOVXSKESA-N","385594",NA,"PDBC47218","676891","Present"
-"NSC676892","","","","","","","","","","","","","","","","","","","","NSC676892","","COC1=C(C(=C2C(=C1)C3C(C2=O)N3C(=O)N)OC)OC","PWXLEGRSQJYLBX-KZGJKODISA-N","385595",NA,"PDBC47219","676892","Present"
-"NSC676893","","","","","","","","","","","","","","","","","","","","NSC676893","","COC1=C(C(=C2C(=C1)C(C(C2=O)O)NC(=O)N)OC)OC","YQVXXCUXZYHSTI-WPRPVWTQSA-N","385596",NA,"PDBC47220","676893","Present"
-"NSC676894","","","","","","","","","","","","","","","","","","","","NSC676894","","COC1=C(C(=C2C(=C1)C(C(C2=O)O)NC(=O)N)OC)OC","YQVXXCUXZYHSTI-WCBMZHEXSA-N","385597",NA,"PDBC47221","676894","Present"
-"NSC676909","","","","","","","","","","","","","","","","","","","","NSC676909","","CCN(CC)CC.C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O","ZFLBPRIWFOOYAT-UHFFFAOYSA-N","385603",NA,"PDBC47222","676909","Present"
-"NSC676910","","","","","","","","","","","","","","","","","","","","NSC676910","","CCN(CC)CC.C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O","VHKGZTFLSZRKOS-UHFFFAOYSA-N","385604",NA,"PDBC47223","676910","Present"
-"NSC676912","","","","","","","","","","","","","","","","","","","","NSC676912","","CCN(CC)CC.C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O","LGKGYIWMBYIDRT-UHFFFAOYSA-N","385607",NA,"PDBC47224","676912","Present"
-"NSC676961","","","","","","","","","","","","","","","","","","","","NSC676961","","CN1CCN(CC1)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O","QQKXCNKYYAANAL-BTJKTKAUSA-N","54608154",NA,"PDBC47225","676961","Present"
-"NSC677011","","","","","","","","","","","","","","","","","","","","NSC677011","","C1CC2=CC3=C(C=C2C1)C(=NO)CC3","WWSUHMFQLNZTPL-OUKQBFOZSA-N","5466131",NA,"PDBC47226","677011","Present"
-"NSC677057","","","","","","","","","","","","","","","","","","","","NSC677057","","COC(=O)C1=CC=CC=C1C=C2CC3=C(C2=O)C4=C(CCC4)C=C3","OSAABWVGUIABMU-LFIBNONCSA-N","20835360",NA,"PDBC47227","677057","Present"
-"NSC677203","","","","","","","","","","","","","","","","","","","","NSC677203","","C1=CC=C(C=C1)C=C2C(=N)N3C(=NC2=O)SC=N3","KXGPXJAPFWOCRR-NBBFJZPZSA-N","888856",NA,"PDBC47228","677203","Present"
-"NSC677204","","","","","","","","","","","","","","","","","","","","NSC677204","","C1=CC(=CC=C1C=C2C(=N)N3C(=NC2=O)SC=N3)F","VTCRDKQPEIGYJU-KQIWNXFLSA-N","5468827",NA,"PDBC47229","677204","Present"
-"NSC677206","","","","","","","","","","","","","","","","","","","","NSC677206","","CC1=NN2C(=N)C(=CC3=CC=CC=C3)C(=O)N=C2S1","PFWSKOHBUDBTGS-OFXSHPRPSA-N","5455137",NA,"PDBC47230","677206","Present"
-"NSC677207","","","","","","","","","","","","","","","","","","","","NSC677207","","CC1=NN2C(=N)C(=CC3=CC=C(C=C3)F)C(=O)N=C2S1","VLNUSCYXNGQMNY-JZSRCMMISA-N","5468828",NA,"PDBC47231","677207","Present"
-"NSC677231","","","","","","","","","","","","","","","","","","","","NSC677231","","C1=CC=C(C=C1)COC2C3C4C5C6C(C3C5OCC7=CC=CC=C7)C2C4C6=O","QFZSTWQCQZIKSY-SISHKOCUSA-N","385834",NA,"PDBC47232","677231","Present"
-"NSC677232","","","","","","","","","","","","","","","","","","","","NSC677232","","CCOC12CCC3C1C4C(C3)CCC4(O2)OCC","SORQIKMJIKCAHH-ADPPZMDZSA-N","385835",NA,"PDBC47233","677232","Present"
-"NSC677235","","","","","","","","","","","","","","","","","","","","NSC677235","","C1C2C3C4C1C5C2C6(C3C4C5(O6)O)C[N+](=O)[O-]","LOEIDFUDZVQDTE-USSSNPAQSA-N","385838",NA,"PDBC47234","677235","Present"
-"NSC677237","","","","","","","","","","","","","","","","","","","","NSC677237","","C1=CC2C3C(C1C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)C=CC3=O","YZEQPNUGMMMGSM-VVSRXUSISA-N","385840",NA,"PDBC47235","677237","Present"
-"NSC677244","","","","","","","","","","","","","","","","","","","","NSC677244","","CC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C","QKTLYJCNTAJCQI-JWQCQUIFSA-N","385845",NA,"PDBC47236","677244","Present"
-"NSC677245","","","","","","","","","","","","","","","","","","","","NSC677245","","COC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC","WWLCJZULYFCYTI-JWQCQUIFSA-N","385846",NA,"PDBC47237","677245","Present"
-"NSC677246","","","","","","","","","","","","","","","","","","","","NSC677246","","COC1=CC(=C(C=C1)C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=C(C=C(C=C5)OC)OC)OC","OSQUDRJWOQKPJK-JWQCQUIFSA-N","385847",NA,"PDBC47238","677246","Present"
-"NSC677247","","","","","","","","","","","","","","","","","","","","NSC677247","","COC1=CC(=CC(=C1OC)OC)C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=CC(=C(C(=C5)OC)OC)OC","NLOULXNEGAPOCR-ZRZAMGCNSA-N","385848",NA,"PDBC47239","677247","Present"
-"NSC677248","","","","","","","","","","","","","","","","","","","","NSC677248","","C1C(CC(C2(C1C3=CC=CC=C3)C(C4=CC=CC=C4C2O)O)C5=CC=CC=C5)O","PBMDMYZUOMKWHI-UWAWKPALSA-N","385849",NA,"PDBC47240","677248","Present"
-"NSC677249","","","","","","","","","","","","","","","","","","","","NSC677249","","C1C2=CC=CC=C2C(C13C(C4C(C3C5=CC=CC=C5)C6=CC=CC=C6C4O)C7=CC=CC=C7)O","JDFQXJSUIRPIFZ-SWABRBFSSA-N","385850",NA,"PDBC47241","677249","Present"
-"NSC677393","","","","","","","","","","","","","","","","","","","","NSC677393","","COC(=C(C#N)N=CC1=CC=CC=C1)N","IWTPAHMQALWGHK-TTZMRQBOSA-N","5468840",NA,"PDBC47242","677393","Present"
-"NSC677394","","","","","","","","","","","","","","","","","","","","NSC677394","","CN(C)CCCCN1C2=C(C=C(C=C2)N=[N+]=[N-])SC3=CC=CC=C31.C(=O)(C(=O)O)O","CJGAUXSYAZOAOE-UHFFFAOYSA-N","385931",NA,"PDBC47243","677394","Present"
-"NSC677396","","","","","","","","","","","","","","","","","","","","NSC677396","","CN(C)CCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O","DDCMRCOTBKDUFV-UHFFFAOYSA-N","22210530",NA,"PDBC47244","677396","Present"
-"NSC677397","","","","","","","","","","","","","","","","","","","","NSC677397","","CN1CCN(CC1)CCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)C5=CC=CC=C5.C(=O)(C(=O)O)O","NSUUXHYUZFTQOA-UHFFFAOYSA-N","22210531",NA,"PDBC47245","677397","Present"
-"NSC677401","","","","","","","","","","","","","","","","","","","","NSC677401","","C[N+]1(CCN(CC1)C(=O)CCNC(=O)CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)CCCCN4C5=C(C=C(C=C5)N=[N+]=[N-])SC6=CC=CC=C64.[I-]","HUAPQSIBCOGPSA-UHFFFAOYSA-N","385938",NA,"PDBC47246","677401","Present"
-"NSC677582","","","","","","","","","","","","","","","","","","","","NSC677582","","COC1=C(C=CC(=C1)C2C(C(=CC3=CC(=C(C=C23)O)OC)C(=O)N)C(=O)N)O","VOCPARDFMHCSPY-QZTJIDSGSA-N","6712367",NA,"PDBC47247","677582","Present"
-"NSC677583","","","","","","","","","","","","","","","","","","","","NSC677583","","COC1=C(C=CC(=C1)C2C(C(=CC3=CC(=C(C=C23)O)OC)C(=O)OC)C(=O)OC)O","ISHDPVONGBEOKE-WOJBJXKFSA-N","6712368",NA,"PDBC47248","677583","Present"
-"NSC677598","","","","","","","","","","","","","","","","","","","","NSC677598","","CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-])C(=O)N","XJIFATPTLBPJCK-UHFFFAOYSA-N","386035",NA,"PDBC47249","677598","Present"
-"NSC677599","","","","","","","","","","","","","","","","","","","","NSC677599","","CC(C(=O)NC(CCC(=O)NCCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","FCLWHDIQAVOPMW-UHFFFAOYSA-N","386036",NA,"PDBC47250","677599","Present"
-"NSC677606","","","","","","","","","","","","","","","","","","","","NSC677606","","C1=NC(=C2C(=N1)N(C(=N2)CC(=O)N)C3C(C(C(O3)CO)O)O)N","QAFWZXHDJZQDCC-UHFFFAOYSA-N","386040",NA,"PDBC47251","677606","Present"
-"NSC677607","","","","","","","","","","","","","","","","","","","","NSC677607","","CCNC(=O)CC1=NC2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N","AUKMLEBKRXPQHP-UHFFFAOYSA-N","386041",NA,"PDBC47252","677607","Present"
-"NSC677618","","","","","","","","","","","","","","","","","","","","NSC677618","","CC(=O)OC1(C(OC(=O)C1=O)C2COC(O2)(C)C)CC=C","ZPMODXCLZDPQAT-PFMWSLTASA-N","386051",NA,"PDBC47253","677618","Present"
-"NSC677624","","","","","","","","","","","","","","","","","","","","NSC677624","","CC1=CC=C(C=C1)S(=O)(=O)NN=CC(=CC2=CC=C(C=C2)Cl)CC(=CC3=CC=C(C=C3)Cl)C=NNS(=O)(=O)C4=CC=C(C=C4)C","NZJFNEWJAONADX-BXWWFWODSA-N","9571949",NA,"PDBC47254","677624","Present"
-"NSC677625","","","","","","","","","","","","","","","","","","","","NSC677625","","COC(=O)C1N2C(CS1)C(=O)N(C2=O)C3=CC=CC=C3","SHMJQWQCGIZYDT-FTNKSUMCSA-N","386056",NA,"PDBC47255","677625","Present"
-"NSC677626","","","","","","","","","","","","","","","","","","","","NSC677626","","CN1CCC2(CC1)N3C(CS2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl","LMLJVXPBYSCBEB-ZDUSSCGKSA-N","386057",NA,"PDBC47256","677626","Present"
-"NSC677628","","","","","","","","","","","","","","","","","","","","NSC677628","","C1C(C(C(C(O1)N2C=NC(=C2C(=O)N)NC=O)O)O)O","CSJBIIRRBWXZMB-UHFFFAOYSA-N","386059",NA,"PDBC47257","677628","Present"
-"NSC677632","","","","","","","","","","","","","","","","","","","","NSC677632","","CCOP(=O)(C(C1=CC=C(C=C1)C(NC2=CC=C(C=C2)N=NC3=CC=CC=C3)P(=O)(O)OCC)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)O.[Na+]","VCDAHWIFFRBHAQ-UHFFFAOYSA-N","54600889",NA,"PDBC47258","677632","Present"
-"NSC677633","","","","","","","","","","","","","","","","","","","","NSC677633","","CCOP(=O)(C(C1=CC(=CC=C1)C(NC2=CC=C(C=C2)N=NC3=CC=CC=C3)P(=O)(O)OCC)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)O.[Na+]","TUYCISCQNPZJKL-UHFFFAOYSA-N","54608156",NA,"PDBC47259","677633","Present"
-"NSC677697","","","","","","","","","","","","","","","","","","","","NSC677697","","CC1=C(N(C2=C1C(=NC(=N2)S(=O)C)S(=O)C)C3=CC=CC=C3)C","HDXTYLORMCSYSS-UHFFFAOYSA-N","386095",NA,"PDBC47260","677697","Present"
-"NSC677747","","","","","","","","","","","","","","","","","","","","NSC677747","","CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C(=O)C=CC4(C)OC(=O)C)C","QLHJAOAODMJTCK-ITYCPXQKSA-N","386115",NA,"PDBC47261","677747","Present"
-"NSC677752","","","","","","","","","","","","","","","","","","","","NSC677752","","C1CCC(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O","MYKWGWFKZSAUSU-LDCVWXEPSA-N","386120",NA,"PDBC47262","677752","Present"
-"NSC677753","","","","","","","","","","","","","","","","","","","","NSC677753","","C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)O","MMFRIPIYQJMEFA-GARXDOFDSA-N","386121",NA,"PDBC47263","677753","Present"
-"NSC677754","","","","","","","","","","","","","","","","","","","","NSC677754","","CC(C)(C)C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)O","MAYJEKMDSIJSLX-ZNBHLAFESA-N","386122",NA,"PDBC47264","677754","Present"
-"NSC677759","","","","","","","","","","","","","","","","","","","","NSC677759","","CCC1CCC2C(C1C(=O)OC)CCC3(C2CCC3OC(=O)C)C","GZKGGUXVTSTLPN-VPLQWAOFSA-N","386127",NA,"PDBC47265","677759","Present"
-"NSC677760","","","","","","","","","","","","","","","","","","","","NSC677760","","CC(=O)C1CCC2C(C1C(=O)OC)CCC3(C2CCC3OC(=O)C)C","XUQBFQQFSMRJOK-OGQIGFOHSA-N","386128",NA,"PDBC47266","677760","Present"
-"NSC677761","","","","","","","","","","","","","","","","","","","","NSC677761","","CC(=O)OC1CCC2C1(CCC3C2CCC(C3C(=O)OC)C4(SCCS4)C)C","HOBXRPCLLDMPJC-VEDUKKBTSA-N","386129",NA,"PDBC47267","677761","Present"
-"NSC677762","","","","","","","","","","","","","","","","","","","","NSC677762","","CC1=NNC(=O)C2C1CCC3C2CCC4(C3CCC4O)C","FAZUSOGHZUUPDW-IOQZLDROSA-N","386130",NA,"PDBC47268","677762","Present"
-"NSC677768","","","","","","","","","","","","","","","","","","","","NSC677768","","CC(CO)C1CCC2C1(CCC3C2CC(C45C3(CCC4C5)C)OC)C","FHAMDNXTPYSJGZ-IQKSEEQLSA-N","386136",NA,"PDBC47269","677768","Present"
-"NSC677769","","","","","","","","","","","","","","","","","","","","NSC677769","","CC(CO)C1CCC2C1(CCC3C2CC(C45C3(CCC4C5)C)OC)C","FHAMDNXTPYSJGZ-YDAIDQRWSA-N","386137",NA,"PDBC47270","677769","Present"
-"NSC677770","","","","","","","","","","","","","","","","","","","","NSC677770","","CC(COC(=O)C)C1CCC2C1(CCC3C2CC(C45C3(CCC4C5)C)OC)C","OBXKFYVWKKLUHN-KERWABPRSA-N","386138",NA,"PDBC47271","677770","Present"
-"NSC677776","","","","","","","","","","","","","","","","","","","","NSC677776","","CC1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CC=C3","BXGQQBNWMMLBRN-BOPFTXTBSA-N","5901826",NA,"PDBC47272","677776","Present"
-"NSC677784","","","","","","","","","","","","","","","","","","","","NSC677784","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=CC=C2.Cl","LOPVGWQRFVVASL-ASTDGNLGSA-N","6519101",NA,"PDBC47273","677784","Present"
-"NSC677786","","","","","","","","","","","","","","","","","","","","NSC677786","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)OC.Cl","FBQCTQBPNRFTEU-YGCVIUNWSA-N","6519103",NA,"PDBC47274","677786","Present"
-"NSC677787","","","","","","","","","","","","","","","","","","","","NSC677787","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=CC=C2Cl.Cl","QJMUEVUKTFSXDO-RRABGKBLSA-N","6519104",NA,"PDBC47275","677787","Present"
-"NSC677788","","","","","","","","","","","","","","","","","","","","NSC677788","","CC1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)CN(C)C)O)CN(C)C.Cl","IONJWOMVBALLMB-ASTDGNLGSA-N","6519105",NA,"PDBC47276","677788","Present"
-"NSC677789","","","","","","","","","","","","","","","","","","","","NSC677789","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl.Cl","HHTQUJLABWCPFU-WVLIHFOGSA-N","6519106",NA,"PDBC47277","677789","Present"
-"NSC677790","","","","","","","","","","","","","","","","","","","","NSC677790","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl.Cl","VFFOHGULDSRCQU-WVLIHFOGSA-N","6519107",NA,"PDBC47278","677790","Present"
-"NSC677791","","","","","","","","","","","","","","","","","","","","NSC677791","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=C(C=CC=C2Cl)Cl.Cl","LZAQNSVEDXSINX-HRNDJLQDSA-N","6519108",NA,"PDBC47279","677791","Present"
-"NSC677792","","","","","","","","","","","","","","","","","","","","NSC677792","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)Br.Cl","JRIDCFCYYBNDLN-HCUGZAAXSA-N","6519109",NA,"PDBC47280","677792","Present"
-"NSC677919","","","","","","","","","","","","","","","","","","","","NSC677919","","C1CC1(C(=O)[O-])[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","FCDCUSDGQAIYBQ-UHFFFAOYSA-N","24202517",NA,"PDBC47281","677919","Present"
-"NSC677934","","","","","","","","","","","","","","","","","","","","NSC677934","","COC1=CC=CC(=C1)C(=O)NC2C(C(OC2N3C=NC4=C(N=CN=C43)N)CO)O","ZUKVLQWGVRRKFN-UHFFFAOYSA-N","386218",NA,"PDBC47282","677934","Present"
-"NSC677987","","","","","","","","","","","","","","","","","","","","NSC677987","","CCOP(=O)(C1C(OC(C1O)N2C=CC(=O)NC2=O)CO)OCC","WCMMDKKZQAAREO-UHFFFAOYSA-N","386246",NA,"PDBC47283","677987","Present"
-"NSC677994","","","","","","","","","","","","","","","","","","","","NSC677994","","CCOC(=O)CC1=NC2=C(N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)N=CNC2=O","OSPRMIGYTHGMMX-UHFFFAOYSA-N","135465313",NA,"PDBC47284","677994","Present"
-"NSC677995","","","","","","","","","","","","","","","","","","","","NSC677995","","C1=NC2=C(C(=O)N1)N=C(N2C3C(C(C(O3)CO)O)O)CC(=O)N","YOZAEVKDSFPSJE-UHFFFAOYSA-N","135489802",NA,"PDBC47285","677995","Present"
-"NSC677996","","","","","","","","","","","","","","","","","","","","NSC677996","","CCNC(=O)CC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CNC2=O","GAWJJKIBMRKPLG-UHFFFAOYSA-N","135489803",NA,"PDBC47286","677996","Present"
-"NSC678004","","","","","","","","","","","","","","","","","","","","NSC678004","","CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)OC","AIMHFRFPWGKKTJ-YFKTTZPYSA-N","386261",NA,"PDBC47287","678004","Present"
-"NSC678005","","","","","","","","","","","","","","","","","","","","NSC678005","","CC1=CN(C(=O)N=C1OC)C2CC(C(O2)CO)F","KBCYHHVUEZPJIB-UHFFFAOYSA-N","386262",NA,"PDBC47288","678005","Present"
-"NSC678008","","","","","","","","","","","","","","","","","","","","NSC678008","","C1C=C(C2N1CC=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl.C(=CC(=O)O)C(=O)O","DECWYOUYHVDPIO-WLHGVMLRSA-N","5468864",NA,"PDBC47289","678008","Present"
-"NSC678031","","","","","","","","","","","","","","","","","","","","NSC678031","","C1=CC=C(C=C1)CSC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])Cl","CASNIUDSEUARQC-ZUYWJZQFSA-N","54608158",NA,"PDBC47290","678031","Present"
-"NSC678033","","","","","","","","","","","","","","","","","","","","NSC678033","","C1CNC(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])N1","SGLNZQAVYTWLGA-HWKANZROSA-N","6112195",NA,"PDBC47291","678033","Present"
-"NSC678037","","","","","","","","","","","","","","","","","","","","NSC678037","","CC1=CC(=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2)C","HOJYNBHWHMCWFL-FBMGVBCBSA-N","5919578",NA,"PDBC47292","678037","Present"
-"NSC678084","","","","","","","","","","","","","","","","","","","","NSC678084","","CC(=O)OCC1C(C(C(C(O1)SC2=NC(=O)C(=CC3=CC=CC=C3)S2)OC(=O)C)OC(=O)C)OC(=O)C","KTZQLOLSIQEJGZ-ZDLGFXPLSA-N","5468866",NA,"PDBC47293","678084","Present"
-"NSC678085","","","","","","","","","","","","","","","","","","","","NSC678085","","C1=CC=C(C=C1)C=C2C(=O)N=C(S2)SC3C(C(C(C(O3)CO)O)O)O","UBZUBLONEXFAER-POHAHGRESA-N","5468867",NA,"PDBC47294","678085","Present"
-"NSC678086","","","","","","","","","","","","","","","","","","","","NSC678086","","C(C#N)C(=O)NN=CC(C(C(C(CO)O)O)O)O","QFDYSWLUIKTWIM-JYOAFUTRSA-N","6081367",NA,"PDBC47295","678086","Present"
-"NSC678153","","","","","","","","","","","","","","","","","","","","NSC678153","","COC(=C(C#N)N=CC1=CC=CS1)N","VBRVHHPCSYPPGE-XHZBUCITSA-N","5468871",NA,"PDBC47296","678153","Present"
-"NSC678154","","","","","","","","","","","","","","","","","","","","NSC678154","","COC(=C(C#N)N=CC1=CSC=C1)N","AFRPBDOGLVNFAQ-XZJIWZLYSA-N","5468872",NA,"PDBC47297","678154","Present"
-"NSC67830","","","","","","","","","","","","","","","","","","","","NSC67830","","COC1=C(C(=C(C(=C1OC)OC)OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC","ZFGYUNMCDABKIT-UHFFFAOYSA-N","249473",NA,"PDBC47298","67830","Present"
-"NSC678360","","","","","","","","","","","","","","","","","","","","NSC678360","","CCN1C2=C(C=C(C=C2)NC(=O)C3=C(NC(=O)N=C3NCCNCCO)C)C4=CC=CC=C41.Cl","PPCGXSIRJFQQEF-UHFFFAOYSA-N","386389",NA,"PDBC47299","678360","Present"
-"NSC678385","","","","","","","","","","","","","","","","","","","","NSC678385","","C1CC2=C(C1)C3=C(CC(=CC4=CC=CC=C4C(=O)O)C3=O)C=C2","NUDFHUWVGKUFAQ-GDNBJRDFSA-N","5900862",NA,"PDBC47300","678385","Present"
-"NSC678398","","","","","","","","","","","","","","","","","","","","NSC678398","","CC=NN1C(=NNC1=O)C","WQMQTCYNLRUNLP-UTCJRWHESA-N","6287638",NA,"PDBC47301","678398","Present"
-"NSC678473","","","","","","","","","","","","","","","","","","","","NSC678473","","CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OCC(F)(F)F)O","SEJLRFOCUWYOPK-SSTWWWIQSA-N","386444",NA,"PDBC47302","678473","Present"
-"NSC678480","","","","","","","","","","","","","","","","","","","","NSC678480","","CCOC(=O)CCC(=NN1C(=NNC1=O)CC2=CC=C(C=C2)Cl)C","HTTFSRNPYUUVCF-JAIQZWGSSA-N","5466142",NA,"PDBC47303","678480","Present"
-"NSC678481","","","","","","","","","","","","","","","","","","","","NSC678481","","C1=CC=C(C=C1)C2=NNC(=O)N2N=CCCC=NN3C(=NNC3=O)C4=CC=CC=C4","JIZNRIXKUBOICV-JZTLMNBPSA-N","5925486",NA,"PDBC47304","678481","Present"
-"NSC678493","","","","","","","","","","","","","","","","","","","","NSC678493","","CC[P+]1(C(CCC1C)C)C2=CC=CC=C2.[I-]","XRWUBMSZTHJPHO-QNTKWALQSA-M","386465",NA,"PDBC47305","678493","Present"
-"NSC678496","","","","","","","","","","","","","","","","","","","","NSC678496","","CCCN(CCC)C(=C(CC=C)C(=O)OC)C(=O)OC","WOWVMORDTNAQDD-OUKQBFOZSA-N","5468881",NA,"PDBC47306","678496","Present"
-"NSC67856","","","","","","","","","","","","","","","","","","","","NSC67856","","CC1(C2CCC1(CN(C2)CCC[N+](C)(C)C)C)C.[I-]","PQMKTUYBYYEEBW-XMZRARIVSA-M","5351866",NA,"PDBC47307","67856","Present"
-"NSC678635","","","","","","","","","","","","","","","","","","","","NSC678635","","CC(C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O","LHSMIYCGGUOJJK-UHFFFAOYSA-N","386491",NA,"PDBC47308","678635","Present"
-"NSC678636","","","","","","","","","","","","","","","","","","","","NSC678636","","C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NCC3=CC(=O)C=CC3=O","PNLOECMIUPAFEZ-UHFFFAOYSA-N","386492",NA,"PDBC47309","678636","Present"
-"NSC678637","","","","","","","","","","","","","","","","","","","","NSC678637","","CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O","VUGKHKLRFNGSCU-UHFFFAOYSA-N","386493",NA,"PDBC47310","678637","Present"
-"NSC678862","","","","","","","","","","","","","","","","","","","","NSC678862","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)C3CC3C(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NCCCN(C)C)C)C.Cl","OFEWVTKAVUWASP-PQQSRXGVSA-N","54608782",NA,"PDBC47311","678862","Present"
-"NSC678863","","","","","","","","","","","","","","","","","","","","NSC678863","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)C3CC3C(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NCCCN(C)C)C)C.Cl","OFEWVTKAVUWASP-OCPPCWRMSA-N","54608783",NA,"PDBC47312","678863","Present"
-"NSC678870","","","","","","","","","","","","","","","","","","","","NSC678870","","CC1=CN(C(=O)N=C1OC)C2CC(C(O2)CO)N=[N+]=[N-]","INEFBFVRASRYAP-UHFFFAOYSA-N","386500",NA,"PDBC47313","678870","Present"
-"NSC679001","","","","","","","","","","","","","","","","","","","","NSC679001","","CCOC(=O)CN1C(=O)C=CN(C1=O)C(=CC(=O)OCC)C(=O)OCC","RPACIQPWGRDKMR-PKNBQFBNSA-N","5468904",NA,"PDBC47314","679001","Present"
-"NSC679002","","","","","","","","","","","","","","","","","","","","NSC679002","","CCOC(=O)CN1C(=O)C=CN(C1=O)C(=CC(=O)OCC)C(=O)OCC","RPACIQPWGRDKMR-LUAWRHEFSA-N","5468905",NA,"PDBC47315","679002","Present"
-"NSC679063","","","","","","","","","","","","","","","","","","","","NSC679063","","C(C(=O)O)N1C2=C(C(=O)NNC2=O)N=N1","ZUOKLOCDYXYKER-UHFFFAOYSA-N","135444030",NA,"PDBC47316","679063","Present"
-"NSC679095","","","","","","","","","","","","","","","","","","","","NSC679095","","C1CCN(C1)C(=CC#N)NC(=O)NC2=CC=CC=C2","HFCWWHPYVVGKNN-JYRVWZFOSA-N","5468918",NA,"PDBC47317","679095","Present"
-"NSC679101","","","","","","","","","","","","","","","","","","","","NSC679101","","C1CC2=C(C1N)N=C3C(CCC3=C2C4=CC=CC=C4)N","UFYFSHZVERDTKN-KBPBESRZSA-N","386644",NA,"PDBC47318","679101","Present"
-"NSC679102","","","","","","","","","","","","","","","","","","","","NSC679102","","C1CC2=C(C1NC3=NCCN3)N=C4C(CCC4=C2C5=CC=CC=C5)NC6=NCCN6","HNUOOSZHOXTPMS-HDICACEKSA-N","386645",NA,"PDBC47319","679102","Present"
-"NSC679104","","","","","","","","","","","","","","","","","","","","NSC679104","","CC1=C(C(=C(C(=C1CN)C)CN)C)CN.Cl","YOQCWANKVXTUGQ-UHFFFAOYSA-N","386647",NA,"PDBC47320","679104","Present"
-"NSC679105","","","","","","","","","","","","","","","","","","","","NSC679105","","CC(=NNC1=CC=CC=C1Br)C2=NC(=CC=C2)C(=NNC3=CC=CC=C3Br)C","AXPWTAQJOGLPEK-LVSXPEEVSA-N","5466143",NA,"PDBC47321","679105","Present"
-"NSC679109","","","","","","","","","","","","","","","","","","","","NSC679109","","CC(C)(C)C1CCC(=O)C(=CCC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)C1","DMQRPBIUAZTERT-LICLKQGHSA-N","5468920",NA,"PDBC47322","679109","Present"
-"NSC679181","","","","","","","","","","","","","","","","","","","","NSC679181","","C=CCCC1(C(C(OC(C1O)OC2(C(C(C(O2)CO)O)O)CO)CO)O)O","ZTCFWFSSFJXJPS-OTKHCULNSA-N","386655",NA,"PDBC47323","679181","Present"
-"NSC679189","","","","","","","","","","","","","","","","","","","","NSC679189","","CCOC1CCC(=CO1)S(=O)C2=CC=C(C=C2)C","ZFYJQMBNZJKTKN-PIVQAISJSA-N","386663",NA,"PDBC47324","679189","Present"
-"NSC679209","","","","","","","","","","","","","","","","","","","","NSC679209","","CC1=NC2=C(C=C(C=C2)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)N1C4=CC=CC=C4","MIAIRZLABFGYEL-UHFFFAOYSA-N","386681",NA,"PDBC47325","679209","Present"
-"NSC679214","","","","","","","","","","","","","","","","","","","","NSC679214","","CC1=NC2=C(C=C(C=C2)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)N1C4=CC=C(C=C4)OC","RQKBJGKYFGKYMS-UHFFFAOYSA-N","386685",NA,"PDBC47326","679214","Present"
-"NSC679240","","","","","","","","","","","","","","","","","","","","NSC679240","","C1=CC=C2C(=C1)C(=O)C3=C(S2)SC(=C3)C=C4C(=O)NC(=S)N4","FMKNPXKFOWSHER-POHAHGRESA-N","5468927",NA,"PDBC47327","679240","Present"
-"NSC679241","","","","","","","","","","","","","","","","","","","","NSC679241","","C1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(S3)SC5=CC=CC=C5C4=O)NC2=S","STVGZEPRWJQVLV-WJDWOHSUSA-N","5468928",NA,"PDBC47328","679241","Present"
-"NSC679242","","","","","","","","","","","","","","","","","","","","NSC679242","","C1COCCN1CN2C(=O)C(=CC3=CC=C(S3)Br)NC2=S","NLPCGWGVNAPOKC-YFHOEESVSA-N","5468929",NA,"PDBC47329","679242","Present"
-"NSC679243","","","","","","","","","","","","","","","","","","","","NSC679243","","C1CCN(CC1)CN2C(=O)C(=CC3=CC=C(S3)Br)NC2=S","HDMXDTZBZUFELG-FLIBITNWSA-N","5468930",NA,"PDBC47330","679243","Present"
-"NSC679246","","","","","","","","","","","","","","","","","","","","NSC679246","","CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=C(S3)Br)C(=O)N2CN4CCOCC4)OC(=O)C)OC(=O)C)OC(=O)C","QDNWMDTXVCMUTR-ODLFYWEKSA-N","5468932",NA,"PDBC47331","679246","Present"
-"NSC679247","","","","","","","","","","","","","","","","","","","","NSC679247","","CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC4=C(S3)SC5=CC=CC=C5C4=O)C(=O)N2C6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C","FGAPTRDRAHEHJH-MYYYXRDXSA-N","5468933",NA,"PDBC47332","679247","Present"
-"NSC679260","","","","","","","","","","","","","","","","","","","","NSC679260","","CCOC(=O)CCCC1=CC(=O)C2=C(N1)C(=C3C4=C(C=CC(=C4)Cl)NC3=C2C)C.CS(=O)(=O)O","GQWJTHWWFBFRON-UHFFFAOYSA-N","499467",NA,"PDBC47333","679260","Present"
-"NSC679271","","","","","","","","","","","","","","","","","","","","NSC679271","","C1(C(C(=O)C2=C(SC(=C21)Br)Br)Br)N.Cl","IZFGDGXIMLBGLI-RFKZQXLXSA-N","383025",NA,"PDBC47334","679271","Present"
-"NSC679433","","","","","","","","","","","","","","","","","","","","NSC679433","","CC(=O)C1CCC2(C(C1)CCC3C2CCC4(C3CC(=COC(=O)C)C4=O)C)C","BMCQMJJFWPNLKQ-PUZOLFISSA-N","5468939",NA,"PDBC47335","679433","Present"
-"NSC679489","","","","","","","","","","","","","","","","","","","","NSC679489","","CCOC(=O)NN=C(CC1=CC=CC=C1)N","HPHKSRUYJZEUIK-UHFFFAOYSA-N","5466173",NA,"PDBC47336","679489","Present"
-"NSC679490","","","","","","","","","","","","","","","","","","","","NSC679490","","CCOC(=O)NN=C(C1=CC(=CC=C1)Br)N","MTIXACQCJXUBII-UHFFFAOYSA-N","5466174",NA,"PDBC47337","679490","Present"
-"NSC679491","","","","","","","","","","","","","","","","","","","","NSC679491","","CCOC(=O)NN=C(C1=CC(=CC=C1)[N+](=O)[O-])N","SBCTVAYRVINUER-UHFFFAOYSA-N","5466175",NA,"PDBC47338","679491","Present"
-"NSC679514","","","","","","","","","","","","","","","","","","","","NSC679514","","CCC1(COC2(O1)CCCCC2)CC3CC4(C5=C(CCN4C3=O)C6=CC=CC=C6N5)C(=O)OC","FFJBQYHVEXRFKH-IPEONRORSA-N","386806",NA,"PDBC47339","679514","Present"
-"NSC679515","","","","","","","","","","","","","","","","","","","","NSC679515","","CCC(=C)CC1CC2(C3=C(CCN2C1=O)C4=CC=CC=C4N3)C(=O)OC","DDETXFVRKGDIDT-SPLOXXLWSA-N","386807",NA,"PDBC47340","679515","Present"
-"NSC679516","","","","","","","","","","","","","","","","","","","","NSC679516","","CCC1(COC2(O1)CCCCC2)CC3CC4(C5=C(CCN4C3=S)C6=CC=CC=C6N5)C(=O)OC","RVSIVWOTBGDMFE-IPEONRORSA-N","386808",NA,"PDBC47341","679516","Present"
-"NSC679519","","","","","","","","","","","","","","","","","","","","NSC679519","","CCC12CCC3=C(C1N(C(=S)C=C2)CCSC4=CC=CC=C4)C5=CC=CC=C5N3S(=O)(=O)C6=CC=C(C=C6)OC","ZRWZBBVRYPGGEX-ROJLCIKYSA-N","386811",NA,"PDBC47342","679519","Present"
-"NSC679520","","","","","","","","","","","","","","","","","","","","NSC679520","","CCC12CCC3=C(C1N(C(=S)CC2)CCSC4=CC=CC=C4)C5=CC=CC=C5N3S(=O)(=O)C6=CC=C(C=C6)OC","NGTLDIWZZFLCHR-ROJLCIKYSA-N","386812",NA,"PDBC47343","679520","Present"
-"NSC679521","","","","","","","","","","","","","","","","","","","","NSC679521","","COC(=O)C12CCC(=O)N1C(CC3=C2NC4=CC=CC=C34)C(=O)O","TXHFQIUBBZKGAF-YVEFUNNKSA-N","386813",NA,"PDBC47344","679521","Present"
-"NSC679538","","","","","","","","","","","","","","","","","","","","NSC679538","","CC(C)[Si](C(C)C)(C(C)C)OC1=CCCC2C1(C(C(=O)N2)CC3=CC=C(C=C3)[N+](=O)[O-])C","YDMXKIHCINZRAJ-TZBSWOFLSA-N","386830",NA,"PDBC47345","679538","Present"
-"NSC679539","","","","","","","","","","","","","","","","","","","","NSC679539","","CC(C)[Si](C(C)C)(C(C)C)OC1=CCCC2C1(C(C(=O)N2)CC3=CC=CC=C3)C","MAEFGDXAOKXWIQ-TZBSWOFLSA-N","386831",NA,"PDBC47346","679539","Present"
-"NSC679541","","","","","","","","","","","","","","","","","","","","NSC679541","","C1CC(CC2(C1)CCCC(=O)N2)O","KQJYNGLVJSFIJZ-SCZZXKLOSA-N","386833",NA,"PDBC47347","679541","Present"
-"NSC679569","","","","","","","","","","","","","","","","","","","","NSC679569","","","","",NA,"PDBC47348","679569","Present"
-"NSC679570","","","","","","","","","","","","","","","","","","","","NSC679570","","","","",NA,"PDBC47349","679570","Present"
-"NSC679571","","","","","","","","","","","","","","","","","","","","NSC679571","","","","",NA,"PDBC47350","679571","Present"
-"NSC679572","","","","","","","","","","","","","","","","","","","","NSC679572","","","","",NA,"PDBC47351","679572","Present"
-"NSC679573","","","","","","","","","","","","","","","","","","","","NSC679573","","","","",NA,"PDBC47352","679573","Present"
-"NSC679575","","","","","","","","","","","","","","","","","","","","NSC679575","","C1CN2CC3CN1CC(C2)(C3=NN)C4=CC=C(C=C4)[N+](=O)[O-]","ONFJPDDOPCLAIT-VKAVYKQESA-N","5466180",NA,"PDBC47353","679575","Present"
-"NSC679588","","","","","","","","","","","","","","","","","","","","NSC679588","","CCCC(=O)OC1CC(C2(C(C1(C)O)C(C3(C(C(=O)OC3C(C(=C)C4C(C2OC(=O)C)O4)Cl)C)O)OC(=O)C)C)OC(=O)C","LFUNBQRXILHCGL-WWDSBTMUSA-N","11972625",NA,"PDBC47354","679588","Present"
-"NSC679597","","","","","","","","","","","","","","","","","","","","NSC679597","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Br","QMELSZUTQFHGEW-UHFFFAOYSA-N","386855",NA,"PDBC47355","679597","Present"
-"NSC679799","","","","","","","","","","","","","","","","","","","","NSC679799","","C[N+](C)(C)C(CSSCC(C(=O)[O-])[N+](C)(C)C)C(=O)[O-]","FOGHQTAZDSIRGR-UHFFFAOYSA-N","24202524",NA,"PDBC47356","679799","Present"
-"NSC680090","","","","","","","","","","","","","","","","","","","","NSC680090","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C2=CC4=C(NC(=S)N4)O","STSUTNPXPCSUDU-JLHYYAGUSA-N","135493375",NA,"PDBC47357","680090","Present"
-"NSC680096","","","","","","","","","","","","","","","","","","","","NSC680096","","CCCC1C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N","SGDLNVXRMQKCGB-NSHDSACASA-N","386934",NA,"PDBC47358","680096","Present"
-"NSC680097","","","","","","","","","","","","","","","","","","","","NSC680097","","CCCC1C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N","SGDLNVXRMQKCGB-LLVKDONJSA-N","386935",NA,"PDBC47359","680097","Present"
-"NSC680098","","","","","","","","","","","","","","","","","","","","NSC680098","","CCC(C)C1C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N","XBSZIGWKUWBKQU-KFJBMODSSA-N","386936",NA,"PDBC47360","680098","Present"
-"NSC680099","","","","","","","","","","","","","","","","","","","","NSC680099","","C1=CC=C(C=C1)COC(=O)N2C(C(=O)N=C2N)CCC(=O)N","FEAHAQRLGWPFHJ-JTQLQIEISA-N","386937",NA,"PDBC47361","680099","Present"
-"NSC680100","","","","","","","","","","","","","","","","","","","","NSC680100","","CSCCC1C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N","CAIGUFPOGWHYQQ-NSHDSACASA-N","386938",NA,"PDBC47362","680100","Present"
-"NSC680101","","","","","","","","","","","","","","","","","","","","NSC680101","","C1=CC=C(C=C1)COC(=O)N2C(C(=O)N=C2N)CSCC3=CC=CC=C3","QXCZUWLGIASAKN-INIZCTEOSA-N","386939",NA,"PDBC47363","680101","Present"
-"NSC680102","","","","","","","","","","","","","","","","","","","","NSC680102","","C1=CC=C(C=C1)COC(=O)N2C(C(=O)N=C2N)CC3=CNC4=CC=CC=C43","IJCVNIZXCWRNKZ-KRWDZBQOSA-N","386940",NA,"PDBC47364","680102","Present"
-"NSC680207","","","","","","","","","","","","","","","","","","","","NSC680207","","C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OCC2C(C(C(O2)CP(=O)(O)O)O)O.N","WSIAVFLDCOBEJY-UHFFFAOYSA-N","386970",NA,"PDBC47365","680207","Present"
-"NSC680295","","","","","","","","","","","","","","","","","","","","NSC680295","","C1C(C1NC2=C(C(=NC=N2)Cl)N)CO","LZUXPHAFDIFTAQ-CRCLSJGQSA-N","386984",NA,"PDBC47366","680295","Present"
-"NSC680298","","","","","","","","","","","","","","","","","","","","NSC680298","","CC1(C2C3CC4C2C5(C1C3C4C5Br)O)O","QPWVLPJYSXVTHC-DMZAFEKPSA-N","386987",NA,"PDBC47367","680298","Present"
-"NSC680299","","","","","","","","","","","","","","","","","","","","NSC680299","","C1C2C3C4C1C5C2C(C3C5(C4Br)O)(C6=C(C(=C(C(=C6F)F)F)F)F)O","IODPQNWDBGXUDE-XDHMONCWSA-N","54602841",NA,"PDBC47368","680299","Present"
-"NSC680300","","","","","","","","","","","","","","","","","","","","NSC680300","","CC1=CC(=C(C(=C1)CN(CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4)O)CN(CC6=CC=CC=C6)CC7=NC8=CC=CC=C8N7.Cl","HIZJDILVTNIETI-UHFFFAOYSA-N","386989",NA,"PDBC47369","680300","Present"
-"NSC680306","","","","","","","","","","","","","","","","","","","","NSC680306","","C1C(C(OC1N2C=NC3=C(C=CN=C32)N)CO)O","NFSMISQRIPNDDE-UHFFFAOYSA-N","386996",NA,"PDBC47370","680306","Present"
-"NSC680311","","","","","","","","","","","","","","","","","","","","NSC680311","","","","",NA,"PDBC47371","680311","Present"
-"NSC680326","","","","","","","","","","","","","","","","","","","","NSC680326","","C1C(C1N2C=CC(=O)NC2=O)CO","UMIBAQGXMVUTBS-PHDIDXHHSA-N","6712400",NA,"PDBC47372","680326","Present"
-"NSC680327","","","","","","","","","","","","","","","","","","","","NSC680327","","C1C(C1N2C=CC(=O)NC2=O)CO","UMIBAQGXMVUTBS-NTSWFWBYSA-N","6712401",NA,"PDBC47373","680327","Present"
-"NSC680328","","","","","","","","","","","","","","","","","","","","NSC680328","","C1C(C1N2C=NC3=C2N=CNC3=O)CO","BTKLUITVYUQMTF-PHDIDXHHSA-N","135485962",NA,"PDBC47374","680328","Present"
-"NSC680329","","","","","","","","","","","","","","","","","","","","NSC680329","","C1C(C1N2C=NC3=C2N=CNC3=O)CO","BTKLUITVYUQMTF-NTSWFWBYSA-N","135489815",NA,"PDBC47375","680329","Present"
-"NSC680330","","","","","","","","","","","","","","","","","","","","NSC680330","","CC1=CN(C(=O)NC1=O)C2CC2CO","CKCWEDIWMYALPQ-RNFRBKRXSA-N","6712404",NA,"PDBC47376","680330","Present"
-"NSC680331","","","","","","","","","","","","","","","","","","","","NSC680331","","CC1=CN(C(=O)NC1=O)C2CC2CO","CKCWEDIWMYALPQ-NKWVEPMBSA-N","6712405",NA,"PDBC47377","680331","Present"
-"NSC680332","","","","","","","","","","","","","","","","","","","","NSC680332","","C1CC2C(CCN2C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","RJNCWURFJNHQGX-ZJLYAJKPSA-N","387010",NA,"PDBC47378","680332","Present"
-"NSC680337","","","","","","","","","","","","","","","","","","","","NSC680337","","C1C(=CO)C(=O)C2=CC=CC=C2NC1=O","VKHQEKWKODCSOB-VOTSOKGWSA-N","5468963",NA,"PDBC47379","680337","Present"
-"NSC680343","","","","","","","","","","","","","","","","","","","","NSC680343","","CN(C)CC1=C(C=CC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC)O.Cl","ZWZLRFNXQRMZBX-YLFUTEQJSA-N","9556225",NA,"PDBC47380","680343","Present"
-"NSC680474","","","","","","","","","","","","","","","","","","","","NSC680474","","CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=NC3=CC=CC=C3C=C2","KRQKEYRONIRJKE-YBFXNURJSA-N","5466189",NA,"PDBC47381","680474","Present"
-"NSC680520","","","","","","","","","","","","","","","","","","","","NSC680520","","CCOP(=O)(C(=CC1=CC=CN1C(C)C)C#N)OCC","GBPJAYHBHIOMPT-GXDHUFHOSA-N","5468972",NA,"PDBC47382","680520","Present"
-"NSC680532","","","","","","","","","","","","","","","","","","","","NSC680532","","COC(=O)N1CCC2C1C(=CCC2)C3=C4C(=CC=C3)OCO4","ANAQTFAXWHULDC-XHDPSFHLSA-N","387128",NA,"PDBC47383","680532","Present"
-"NSC680680","","","","","","","","","","","","","","","","","","","","NSC680680","","C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=O)C2=CO)C#N","MGUCSMQREHCPNT-SDNWHVSQSA-N","135496360",NA,"PDBC47384","680680","Present"
-"NSC680761","","","","","","","","","","","","","","","","","","","","NSC680761","","CCOC(=O)C=CC(C(C)(C)C)O[Si](CC)(CC)CC","CRNOYZWUXYOPSW-FNDVETGQSA-N","5468978",NA,"PDBC47385","680761","Present"
-"NSC680762","","","","","","","","","","","","","","","","","","","","NSC680762","","CCC(C=CC(=O)OCC)O[Si](C(C)C)(C(C)C)C(C)C","YRYUITSZIIQWIE-LPQFERQCSA-N","5468979",NA,"PDBC47386","680762","Present"
-"NSC680763","","","","","","","","","","","","","","","","","","","","NSC680763","","CCOC(=O)C=CC(C(C)(C)C)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","XKHONUBXOPIYFT-RFJJORBGSA-N","5468980",NA,"PDBC47387","680763","Present"
-"NSC680765","","","","","","","","","","","","","","","","","","","","NSC680765","","CCCC[Si](CCCC)(CCCC)OC(CC1=CC=CC=C1)C(C=CC(=O)OCC)O[Si](CCCC)(CCCC)CCCC","XCDKCRPWOWJDPF-HZRZSJFRSA-N","5468982",NA,"PDBC47388","680765","Present"
-"NSC680769","","","","","","","","","","","","","","","","","","","","NSC680769","","CC(C)(C)[Si](C)(C)OC(C=CC(=O)NCC(=O)OC)C(C=CC(=O)NCC(=O)OC)O[Si](C)(C)C(C)(C)C","JUSVWKHPAMHOFX-SZJNQVCBSA-N","5468984",NA,"PDBC47389","680769","Present"
-"NSC680776","","","","","","","","","","","","","","","","","","","","NSC680776","","CC(C)(C)[Si](C)(C)OC(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)OC3CCCC=C3","PXCNNYUYKNYPFN-NCPLZGKYSA-N","387214",NA,"PDBC47390","680776","Present"
-"NSC680777","","","","","","","","","","","","","","","","","","","","NSC680777","","CC(C)(C)[Si](C)(C)OC(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)OC(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","QJCWYBLPVLZEAA-UZNNEEJFSA-N","387215",NA,"PDBC47391","680777","Present"
-"NSC680778","","","","","","","","","","","","","","","","","","","","NSC680778","","C1=CC=C(C=C1)C(C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C3=CC=CC=C3","PVLXPSMDRGNBGA-LEWJYISDSA-N","387216",NA,"PDBC47392","680778","Present"
-"NSC680822","","","","","","","","","","","","","","","","","","","","NSC680822","","CC(=O)OCC1C(C(C(O1)N2C=NC3=C2C(=O)NC(=N3)Br)OC(=O)C)OC(=O)C","DYSUQXLQPPCSST-UHFFFAOYSA-N","135489818",NA,"PDBC47393","680822","Present"
-"NSC680823","","","","","","","","","","","","","","","","","","","","NSC680823","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3C4C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C","NNPBZEQXDPRIPV-UHFFFAOYSA-N","135408136",NA,"PDBC47394","680823","Present"
-"NSC680824","","","","","","","","","","","","","","","","","","","","NSC680824","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3C4CC(C(O4)COC5=CC=C(C=C5)C)OC6=CC=C(C=C6)C","KZTFKZDDHAPENG-UHFFFAOYSA-N","387248",NA,"PDBC47395","680824","Present"
-"NSC680825","","","","","","","","","","","","","","","","","","","","NSC680825","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N(C=N3)C4CC(C(O4)COC5=CC=C(C=C5)C)OC6=CC=C(C=C6)C","TYSIWNAISBCVHF-UHFFFAOYSA-N","387249",NA,"PDBC47396","680825","Present"
-"NSC680832","","","","","","","","","","","","","","","","","","","","NSC680832","","CC(=O)OCC1C(CC(O1)N2C(=CC(=O)NC2=O)C#N)OC(=O)C","ZBTRHDRHWZYQKV-UHFFFAOYSA-N","387251",NA,"PDBC47397","680832","Present"
-"NSC680834","","","","","","","","","","","","","","","","","","","","NSC680834","","CC(C)[Si]1(OCC2C(CC(O2)N3C(CC(=O)NC3=O)C(C4=CC=CC=C4)O)O[Si](O1)(C(C)C)C(C)C)C(C)C","LCVKRPARHSQQEA-GXITUNGBSA-N","387253",NA,"PDBC47398","680834","Present"
-"NSC680993","","","","","","","","","","","","","","","","","","","","NSC680993","","CNC1=NC(=O)C2=NC(=C(N(C2=N1)CCO)C3=CC=CC=C3)C4=CC=CC=C4.Cl","ISSLFDVERIUGGF-UHFFFAOYSA-N","387299",NA,"PDBC47399","680993","Present"
-"NSC681073","","","","","","","","","","","","","","","","","","","","NSC681073","","CC(C)(C)C1N(C(CO1)C(=O)OC)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3","NZXCHVDBYTZBPG-HXBUSHRASA-N","387328",NA,"PDBC47400","681073","Present"
-"NSC681074","","","","","","","","","","","","","","","","","","","","NSC681074","","CC1(C(N2C(S1(=O)=O)C(C2=O)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C.[Na+]","BKQSFSAHMPITAX-QQQUOLKDSA-N","54608446",NA,"PDBC47401","681074","Present"
-"NSC681078","","","","","","","","","","","","","","","","","","","","NSC681078","","CC12CCCCC1=CC(=NN=C3N(C4=CC=CC=C4S3)C)CC2","IUZHEHZKBGVLLY-XMUCCTBASA-N","5466196",NA,"PDBC47402","681078","Present"
-"NSC681079","","","","","","","","","","","","","","","","","","","","NSC681079","","CC1(C2CCC1(CC2)CS(=O)(=O)NC(C(=O)OC)C(C)(C)C)C","QWNFDZKCCZDQPB-UIORMTCPSA-N","387335",NA,"PDBC47403","681079","Present"
-"NSC681085","","","","","","","","","","","","","","","","","","","","NSC681085","","B(OC(=NN=C(C)C1=CC=CC=N1)N)(F)F","XWFZEGCCPDCIGD-MKMNVTDBSA-N","9571970",NA,"PDBC47404","681085","Present"
-"NSC681086","","","","","","","","","","","","","","","","","","","","NSC681086","","B(F)(F)SC(=NN=C(C)C1=CC2=CC=CC=C2C=C1)N","IRLLNVJBPLZFNI-GIJQJNRQSA-N","9571971",NA,"PDBC47405","681086","Present"
-"NSC681110","","","","","","","","","","","","","","","","","","","","NSC681110","","CC(C)COC(=O)C(=CC1=CC(=C(C=C1)OC)OC)C2=CC(=C(C=C2)OC)OC","KMAUYUJXBGTMIJ-WQRHYEAKSA-N","5468999",NA,"PDBC47406","681110","Present"
-"NSC681111","","","","","","","","","","","","","","","","","","","","NSC681111","","COC1=CC=CC=C1CNCC2=NC3=CC=CC=C3N2.Cl","OQGQNWXREKIOEA-UHFFFAOYSA-N","387357",NA,"PDBC47407","681111","Present"
-"NSC681129","","","","","","","","","","","","","","","","","","","","NSC681129","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-].Cl","OEQCIJWTIMYKPM-HCUGZAAXSA-N","6519169",NA,"PDBC47408","681129","Present"
-"NSC681130","","","","","","","","","","","","","","","","","","","","NSC681130","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)O.Cl","BSYSZMWLNKAIFM-HCUGZAAXSA-N","6519172",NA,"PDBC47409","681130","Present"
-"NSC681131","","","","","","","","","","","","","","","","","","","","NSC681131","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC(=CC=C2)Cl.Cl","PDMSUGVVKLXXIG-HRNDJLQDSA-N","6519174",NA,"PDBC47410","681131","Present"
-"NSC681132","","","","","","","","","","","","","","","","","","","","NSC681132","","C1COCCN1CC2=CC(=CC(=C2O)CN3CCOCC3)C(=O)C=CC4=CC=CC=C4.Cl","LDMFYZJUNMMKFU-UHDJGPCESA-N","6519175",NA,"PDBC47411","681132","Present"
-"NSC681151","","","","","","","","","","","","","","","","","","","","NSC681151","","C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=CC(=O)C=CC5=O","TXXUWUFMSLQMBL-UHFFFAOYSA-N","387401",NA,"PDBC47412","681151","Present"
-"NSC681231","","","","","","","","","","","","","","","","","","","","NSC681231","","B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)N3CCOCC3)(O)O","MQMHIOPMTAJOHV-RTWAWAEBSA-N","387442",NA,"PDBC47413","681231","Present"
-"NSC681310","","","","","","","","","","","","","","","","","","","","NSC681310","","CN(C1=NC(=CC(=O)OC)C(=O)N1)N=CC2=CC=CC=C2","GBPRBSSPNZHULF-UMPOCWKLSA-N","135449124",NA,"PDBC47414","681310","Present"
-"NSC681311","","","","","","","","","","","","","","","","","","","","NSC681311","","CC=CC1C2C1(C(=O)C3C(C3(C2=O)Cl)C=CC)Cl","YOKDVLMTTYBDEZ-GEWNZKQTSA-N","5469010",NA,"PDBC47415","681311","Present"
-"NSC681312","","","","","","","","","","","","","","","","","","","","NSC681312","","C1=CC=C(C=C1)C2C3C2(C(=O)C4C(C4(C3=O)Cl)C5=CC=CC=C5)Cl","UNEGTQFQRVOMCV-LWDKGXHOSA-N","387501",NA,"PDBC47416","681312","Present"
-"NSC681314","","","","","","","","","","","","","","","","","","","","NSC681314","","C1=CC=C(C=C1)COC(=O)N2C(C(=O)OC(C2C3=CC=CC=C3)C4=CC=CC=C4)CCCC(C(=O)O)NC(C5=CC=CC=C5)C(C6=CC=CC=C6)O.Cl","QYVYTXFMNVDJPG-TUICDNFPSA-N","387503",NA,"PDBC47417","681314","Present"
-"NSC681320","","","","","","","","","","","","","","","","","","","","NSC681320","","CC1=C(SC(=CC2=CC=C(C=C2)C=C3SC(=C(S3)SC)C)S1)SC","UDCKCYBSAULLKI-KAVGSWPWSA-N","5469011",NA,"PDBC47418","681320","Present"
-"NSC681321","","","","","","","","","","","","","","","","","","","","NSC681321","","COC(=O)C(C(C(=O)OC)N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)NC3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6.COC(=O)C(C(C(=O)OC)N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)NC3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6","FZTLXEXFGHEDCX-GXILNGQSSA-N","11980930",NA,"PDBC47419","681321","Present"
-"NSC681322","","","","","","","","","","","","","","","","","","","","NSC681322","","C1=CC=C(C=C1)CC2C(C(C(=N)N2S(=O)(=O)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","ZXNONRDVIBBQRE-LQJZCPKCSA-N","387511",NA,"PDBC47420","681322","Present"
-"NSC681323","","","","","","","","","","","","","","","","","","","","NSC681323","","C1=CC=C(C=C1)CC(C(C2=CC=CC=C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5","QZCPZALVARZXKU-HEVIKAOCSA-N","387512",NA,"PDBC47421","681323","Present"
-"NSC681461","","","","","","","","","","","","","","","","","","","","NSC681461","","CC1(C2CC1C3=CN=C(C=C3C2CC4=CC=C(C=C4)CC5C6CC(C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C","GUJWHYZRSGAFLS-UDCMKDCESA-N","6712408",NA,"PDBC47422","681461","Present"
-"NSC681465","","","","","","","","","","","","","","","","","","","","NSC681465","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)C(=O)C=CC6=CC=C(C=C6)O)C)C(=O)O","REILSQVUDFCUDB-IBYHEPMPSA-N","5469012",NA,"PDBC47423","681465","Present"
-"NSC681632","","","","","","","","","","","","","","","","","","","","NSC681632","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CC6=CC=C(C=C6)O)N)O.Cl","HOOGAPKFLLRCDE-HAVXLIFDSA-N","54608935",NA,"PDBC47424","681632","Present"
-"NSC681633","","","","","","","","","","","","","","","","","","","","NSC681633","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CO)N)O.Cl","WEOSKUBEFLTKBY-RQRDWYMYSA-N","54608425",NA,"PDBC47425","681633","Present"
-"NSC681634","","","","","","","","","","","","","","","","","","","","NSC681634","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CC(C)C)N)O.Cl","UMMXWRQDMFFTIQ-SMRVMXDDSA-N","54608402",NA,"PDBC47426","681634","Present"
-"NSC681635","","","","","","","","","","","","","","","","","","","","NSC681635","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CCSC)N)O.Cl","DIPRQQLOCWIKGQ-VHJCEVHXSA-N","54608835",NA,"PDBC47427","681635","Present"
-"NSC681636","","","","","","","","","","","","","","","","","","","","NSC681636","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(C)N)O.Cl","STZLIGFSTBEMSS-NEEDQATFSA-N","54608427",NA,"PDBC47428","681636","Present"
-"NSC681637","","","","","","","","","","","","","","","","","","","","NSC681637","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)CN)O.Cl","HCSYBVXKMRSFGO-BBZRIIBOSA-N","54608404",NA,"PDBC47429","681637","Present"
-"NSC681638","","","","","","","","","","","","","","","","","","","","NSC681638","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C6CCCN6)O.Cl","FZXLCMOYPYDKLS-YJWRHCKUSA-N","54608406",NA,"PDBC47430","681638","Present"
-"NSC681639","","","","","","","","","","","","","","","","","","","","NSC681639","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CC6=CN=CN6)N)O.Cl","BNTKVCTZDVDUDI-ZEPXXKTOSA-N","54608937",NA,"PDBC47431","681639","Present"
-"NSC681640","","","","","","","","","","","","","","","","","","","","NSC681640","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CC6=CNC7=CC=CC=C76)N)O.Cl","BWQAZXRQACFATN-BFXWLBEMSA-N","54608408",NA,"PDBC47432","681640","Present"
-"NSC681641","","","","","","","","","","","","","","","","","","","","NSC681641","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C6=CC=C(C=C6)N)O.Cl","AJGVFWAVHIKETD-DAIHKNLPSA-N","54601571",NA,"PDBC47433","681641","Present"
-"NSC681642","","","","","","","","","","","","","","","","","","","","NSC681642","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CS)N)O.Cl","XCSINKBBQFDVDN-RQRDWYMYSA-N","54608410",NA,"PDBC47434","681642","Present"
-"NSC681643","","","","","","","","","","","","","","","","","","","","NSC681643","","CCC(C)C(C(=O)NN=CC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC=CC=C51)N.Cl","YEZRUBTZTSTSJL-GLWLTATESA-N","54608412",NA,"PDBC47435","681643","Present"
-"NSC681644","","","","","","","","","","","","","","","","","","","","NSC681644","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C[N+](C)(C)C)O.[Cl-]","PNLAJXJZJOSGHB-SNYZSRNZSA-N","54608939",NA,"PDBC47436","681644","Present"
-"NSC681645","","","","","","","","","","","","","","","","","","","","NSC681645","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(=O)N)O.Cl","YRPILRAHWQXYSW-PTICAZPPSA-N","54608414",NA,"PDBC47437","681645","Present"
-"NSC681646","","","","","","","","","","","","","","","","","","","","NSC681646","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C[N+]6=CC=CC=C6)O.[Cl-]","DKPXKFFZOGUNNM-JCOPYZAKSA-N","54608429",NA,"PDBC47438","681646","Present"
-"NSC681660","","","","","","","","","","","","","","","","","","","","NSC681660","","CC(C)(C)OC(=O)C1CCC(=O)N1C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5","ZMNQSAJGWRXSPA-DEOSSOPVSA-N","387653",NA,"PDBC47439","681660","Present"
-"NSC681694","","","","","","","","","","","","","","","","","","","","NSC681694","","CC1=CC=C(C=C1)NC2=CC(=O)NC(=S)N2.[Na+]","MSELXDWRUFXGIN-UHFFFAOYSA-N","54608436",NA,"PDBC47440","681694","Present"
-"NSC681719","","","","","","","","","","","","","","","","","","","","NSC681719","","CC(C)C(C(C)C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O","INTVTEMVYKAJMJ-UHFFFAOYSA-N","387690",NA,"PDBC47441","681719","Present"
-"NSC681759","","","","","","","","","","","","","","","","","","","","NSC681759","","CCC=NN1C(C(C(=C1N)C#N)(C#N)C#N)CC","HGZUROCVIZWLIG-ZWSORDCHSA-N","5870077",NA,"PDBC47442","681759","Present"
-"NSC681760","","","","","","","","","","","","","","","","","","","","NSC681760","","CC(C)C=NN1C(C(C(=C1N)C#N)(C#N)C#N)C(C)C","YXZRGFPAXFFSPR-SWNXQHNESA-N","5993523",NA,"PDBC47443","681760","Present"
-"NSC681762","","","","","","","","","","","","","","","","","","","","NSC681762","","C1=COC(=C1)C=NN2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CO3","MCFGKNDMYIOZSR-ODCIPOBUSA-N","9556240",NA,"PDBC47444","681762","Present"
-"NSC681773","","","","","","","","","","","","","","","","","","","","NSC681773","","CC=NN1C(=C(C(=C1N)C#N)C#N)C","FEOYBSSTYGNKKU-DXNYSGJVSA-N","5892735",NA,"PDBC47445","681773","Present"
-"NSC681774","","","","","","","","","","","","","","","","","","","","NSC681774","","CC(C)C=NN1C(=C(C(=C1N)C#N)C#N)C(C)C","QMZKZYMJDVADHC-IDUWFGFVSA-N","5938021",NA,"PDBC47446","681774","Present"
-"NSC681775","","","","","","","","","","","","","","","","","","","","NSC681775","","C1=CC=C(C=C1)C=NN2C(=C(C(=C2N)C#N)C#N)C3=CC=CC=C3","XNHOQZIJDHITDO-QRVIBDJDSA-N","5851965",NA,"PDBC47447","681775","Present"
-"NSC681856","","","","","","","","","","","","","","","","","","","","NSC681856","","CC1=C(C(C(C1)NN(C)C)(C#N)C#N)C#N.Cl","CLIHGCXLYBZOGL-UHFFFAOYSA-N","387783",NA,"PDBC47448","681856","Present"
-"NSC681946","","","","","","","","","","","","","","","","","","","","NSC681946","","C1=CSC2=C1C(C(C2=NO)O)NC(=O)C(F)(F)F","XXPSPOTXMUYWET-UJAKGBBPSA-N","9571976",NA,"PDBC47449","681946","Present"
-"NSC681948","","","","","","","","","","","","","","","","","","","","NSC681948","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2C(C(=NO)C3=C2C=CS3)O","JPWKRBICFQIOPE-BXTHTJASSA-N","9571978",NA,"PDBC47450","681948","Present"
-"NSC681949","","","","","","","","","","","","","","","","","","","","NSC681949","","C1=CSC2=C1C(C(C2=NO)O)NC(=O)CN.C(=O)(C(F)(F)F)O","MQSZLMBRRPSPGK-RXRBVPJVSA-N","9571979",NA,"PDBC47451","681949","Present"
-"NSC681950","","","","","","","","","","","","","","","","","","","","NSC681950","","C1=CC=C(C=C1)CC(C(=O)NC2C(C(=NO)C3=C2C=CS3)O)N.C(=O)(C(F)(F)F)O","REEOCXSHIWEZPM-XTUICOIMSA-N","9571980",NA,"PDBC47452","681950","Present"
-"NSC681952","","","","","","","","","","","","","","","","","","","","NSC681952","","CC(C)(C)OC(=O)NCC(=O)NC1CC(=NO)C2=C1C=CS2","QPJOCIVAEUBKKN-LICLKQGHSA-N","5466215",NA,"PDBC47453","681952","Present"
-"NSC681953","","","","","","","","","","","","","","","","","","","","NSC681953","","CC(C)(C)OC(=O)NCC(=O)NC1CC(=NOC)C2=C1C=CS2","CNAYTPAPGSFYRW-WOJGMQOQSA-N","5466216",NA,"PDBC47454","681953","Present"
-"NSC681954","","","","","","","","","","","","","","","","","","","","NSC681954","","CON=C1CC(C2=C1SC=C2)NC(=O)C(F)(F)F","CUWNZTWJLCDXCB-VIZOYTHASA-N","5466217",NA,"PDBC47455","681954","Present"
-"NSC681955","","","","","","","","","","","","","","","","","","","","NSC681955","","CON=C1C(C(C2=C1SC=C2)NC(=O)C(F)(F)F)O","AIOAAHDGQGMRHM-VYOZRIFASA-N","9571981",NA,"PDBC47456","681955","Present"
-"NSC681956","","","","","","","","","","","","","","","","","","","","NSC681956","","CC(C)(C)OC(=O)NCC(=O)NC1C(C(=NOC)C2=C1C=CS2)O","PIKJXCUVKRYVNV-KVMIPUSJSA-N","9571982",NA,"PDBC47457","681956","Present"
-"NSC681957","","","","","","","","","","","","","","","","","","","","NSC681957","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2C(C(=NOC)C3=C2C=CS3)O","JDHFUGJVMSDXFK-VVPUFOCPSA-N","9571983",NA,"PDBC47458","681957","Present"
-"NSC681959","","","","","","","","","","","","","","","","","","","","NSC681959","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC=CC=C3","WIZKOACVGYZSPQ-YKDNHGNVSA-N","135509214",NA,"PDBC47459","681959","Present"
-"NSC681960","","","","","","","","","","","","","","","","","","","","NSC681960","","CC1=CC=C(C=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Cl)O)C3=C(C=C(C=C3)N(CCC#N)CCC#N)C","ONCUOZNYVVTBQD-VEAHTEBKSA-N","135509215",NA,"PDBC47460","681960","Present"
-"NSC681961","","","","","","","","","","","","","","","","","","","","NSC681961","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC=C(C=C3)Cl","HVQNQLQFOVNERJ-AUOHKUMDSA-N","135509216",NA,"PDBC47461","681961","Present"
-"NSC681962","","","","","","","","","","","","","","","","","","","","NSC681962","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC(=CC=C3)OC","GCBJAYRRJVMFFP-VEAHTEBKSA-N","135509217",NA,"PDBC47462","681962","Present"
-"NSC681963","","","","","","","","","","","","","","","","","","","","NSC681963","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]","JEJHIQISUMSFHM-YKDNHGNVSA-N","135509218",NA,"PDBC47463","681963","Present"
-"NSC681964","","","","","","","","","","","","","","","","","","","","NSC681964","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC=C(C=C3)C(=O)O","GKSLQSVMJAZWKM-AUOHKUMDSA-N","135509219",NA,"PDBC47464","681964","Present"
-"NSC681965","","","","","","","","","","","","","","","","","","","","NSC681965","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)C(=O)C3=CC=CC=C3)N=NC4=CC=C(C=C4)OC","MBNUTXGMSMHVRY-PTUMNBPTSA-N","135509220",NA,"PDBC47465","681965","Present"
-"NSC681966","","","","","","","","","","","","","","","","","","","","NSC681966","","CC1=CC=C(C=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Cl)C(=O)C3=CC=CC=C3)C4=C(C=C(C=C4)N(CCC#N)CCC#N)C","ZLQPWYDRPWCDQZ-PTUMNBPTSA-N","135509221",NA,"PDBC47466","681966","Present"
-"NSC681967","","","","","","","","","","","","","","","","","","","","NSC681967","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)C(=O)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-]","SCQMCFDGEKDVMK-KOZWOUDQSA-N","135509222",NA,"PDBC47467","681967","Present"
-"NSC681969","","","","","","","","","","","","","","","","","","","","NSC681969","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=CC=C3","YXSCJIQLOCNIKL-UDRFFECNSA-N","135509223",NA,"PDBC47468","681969","Present"
-"NSC681970","","","","","","","","","","","","","","","","","","","","NSC681970","","CC1=CC=C(C=C1)N=NC(=NNC(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)N(CCC#N)CCC#N)C","HMZARWJBXATASW-MTHGECESSA-N","135509224",NA,"PDBC47469","681970","Present"
-"NSC681971","","","","","","","","","","","","","","","","","","","","NSC681971","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)Cl","DQIXTIBFCNYOEP-YKDNHGNVSA-N","135509225",NA,"PDBC47470","681971","Present"
-"NSC681972","","","","","","","","","","","","","","","","","","","","NSC681972","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)OC","YCACDEIXRLGQNS-MTHGECESSA-N","135509226",NA,"PDBC47471","681972","Present"
-"NSC681973","","","","","","","","","","","","","","","","","","","","NSC681973","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]","GQHXMIUCYRPUHP-UDRFFECNSA-N","135509227",NA,"PDBC47472","681973","Present"
-"NSC681974","","","","","","","","","","","","","","","","","","","","NSC681974","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)C(=O)O","CXRMBSIXGHDRIL-YKDNHGNVSA-N","135509228",NA,"PDBC47473","681974","Present"
-"NSC682075","","","","","","","","","","","","","","","","","","","","NSC682075","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C3=CC(=C(C(=C3)CN(C)C)O)CN(C)C.Cl","WJJTYPGEASQIBS-ACJWTMPUSA-N","6519220",NA,"PDBC47474","682075","Present"
-"NSC682076","","","","","","","","","","","","","","","","","","","","NSC682076","","CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)(C4=CC=C(C=C4)OC5=CC=CC=C5)O.Cl","SSAYTWTXIXYMTA-UHFFFAOYSA-N","387866",NA,"PDBC47475","682076","Present"
-"NSC682078","","","","","","","","","","","","","","","","","","","","NSC682078","","COC1=CC2=C(CCCN3C2C4=CC(=C(C=C4CC3)OC)OC)C=C1","FUPOWEJAAOWXNE-OAQYLSRUSA-N","6712416",NA,"PDBC47476","682078","Present"
-"NSC682135","","","","","","","","","","","","","","","","","","","","NSC682135","","C1=CC=C(C=C1)COC2C(C(=O)C(=C2CS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5","HJHXMWPVNVUTLG-FIRIVFDPSA-N","387903",NA,"PDBC47477","682135","Present"
-"NSC682139","","","","","","","","","","","","","","","","","","","","NSC682139","","CCOC(=O)C=CC1C(OC(O1)(C)C)C(C2COC(O2)(C)C)O","IRSBSJCQLYNPLV-GTGHIIJUSA-N","5469056",NA,"PDBC47478","682139","Present"
-"NSC682140","","","","","","","","","","","","","","","","","","","","NSC682140","","C1CC(OC1CO)N2C=CC(=NC2=S)N","AYYMJCVMDRSWJP-UHFFFAOYSA-N","3802334",NA,"PDBC47479","682140","Present"
-"NSC682220","","","","","","","","","","","","","","","","","","","","NSC682220","","CC1C2C(CC3C2(CCC4C3CCC5C4(C=CC(=O)C5)C)C)OC1(CCC(C)C)O","JMXOLUGCTHVZRO-KIWMTRGLSA-N","387915",NA,"PDBC47480","682220","Present"
-"NSC682224","","","","","","","","","","","","","","","","","","","","NSC682224","","CC12CCC(=O)OC1CCCCO2","LTPSISACYVXGGL-WPRPVWTQSA-N","387919",NA,"PDBC47481","682224","Present"
-"NSC682439","","","","","","","","","","","","","","","","","","","","NSC682439","","","","",NA,"PDBC47482","682439","Present"
-"NSC682440","","","","","","","","","","","","","","","","","","","","NSC682440","","","","",NA,"PDBC47483","682440","Present"
-"NSC682500","","","","","","","","","","","","","","","","","","","","NSC682500","","CC(=O)C1CCC2C(C1C(=O)O)CCC3(C2CCC3O)C","YSPFIJZUVVPAKP-FTXHPODISA-N","388039",NA,"PDBC47484","682500","Present"
-"NSC682501","","","","","","","","","","","","","","","","","","","","NSC682501","","CC(=O)C1CCC2C(C1C(=O)O)CCC3(C2CCC3OC(=O)C)C","UZLYHSDCDKJVNO-VMCVRGOBSA-N","388040",NA,"PDBC47485","682501","Present"
-"NSC682504","","","","","","","","","","","","","","","","","","","","NSC682504","","CC1=NNC(=O)C2C1CCC3C2CCC4(C3CCC4OC(=O)C)C","KYIYGIWIDMPMQH-SMBDEGBRSA-N","388043",NA,"PDBC47486","682504","Present"
-"NSC682511","","","","","","","","","","","","","","","","","","","","NSC682511","","CCN1C(=O)C(=CC=CC=C2C(C3=CC=CC=C3N2C)(C)C)C(=O)N(C1=S)CC","WUJCGRBBISIKPR-URDYEQAASA-N","5469070",NA,"PDBC47487","682511","Present"
-"NSC682512","","","","","","","","","","","","","","","","","","","","NSC682512","","CC1(C2=CC=CC=C2N(C1=CC=CC=CC=C3C(=O)C4=CC=CC=C4C3=O)C)C","MGZOKNHCACVLNG-RHMYBJFYSA-N","5469071",NA,"PDBC47488","682512","Present"
-"NSC682518","","","","","","","","","","","","","","","","","","","","NSC682518","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3C(=NC(=N4)NC5=CC(=C(C=C5)Cl)Cl)Cl)OC6=CC=C(C=C6)C","RVSLFSNGHXMUIF-UHFFFAOYSA-N","388057",NA,"PDBC47489","682518","Present"
-"NSC682519","","","","","","","","","","","","","","","","","","","","NSC682519","","CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)OC)N=CN3C4CC(C(O4)CO)O","OTROSNUIYVJQDG-UHFFFAOYSA-N","388058",NA,"PDBC47490","682519","Present"
-"NSC682532","","","","","","","","","","","","","","","","","","","","NSC682532","","C1CC(OC1)C2=NC3=CC(=C(C=C3N2)Cl)Cl.Cl","WQRRJDDDAMNQNE-UHFFFAOYSA-N","388067",NA,"PDBC47491","682532","Present"
-"NSC682692","","","","","","","","","","","","","","","","","","","","NSC682692","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC(CC3=CC=CC=C3)C(=O)OC)OCCC#N)N=[N+]=[N-]","GQOOHDGGHYGHFS-UWTAPUMBSA-N","5469083",NA,"PDBC47492","682692","Present"
-"NSC682694","","","","","","","","","","","","","","","","","","","","NSC682694","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC(CC3=CNC4=CC=CC=C43)C(=O)OC)OCCC#N)N=[N+]=[N-]","LAUPZWJCAHDSFU-NQYSYDBVSA-N","388139",NA,"PDBC47493","682694","Present"
-"NSC682696","","","","","","","","","","","","","","","","","","","","NSC682696","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC(CC3=CNC4=CC=CC=C43)C(=O)OC)O)N=[N+]=[N-]","XIUIJLHMXJPJKE-JRVPFXOQSA-N","388141",NA,"PDBC47494","682696","Present"
-"NSC682697","","","","","","","","","","","","","","","","","","","","NSC682697","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)NC(CC3=CC=CC=C3)C(=O)OC)N=[N+]=[N-]","HTPPGALRIFVVCQ-YSURMTKTSA-N","388142",NA,"PDBC47495","682697","Present"
-"NSC682698","","","","","","","","","","","","","","","","","","","","NSC682698","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)N=[N+]=[N-]","YXWIOQXTHBGCGS-JRVPFXOQSA-N","388143",NA,"PDBC47496","682698","Present"
-"NSC682699","","","","","","","","","","","","","","","","","","","","NSC682699","","CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(NC(CC3=CC=CC=C3)C(=O)OC)O.N","WKCUBTMOKGUQAC-NFYGTXRPSA-N","388144",NA,"PDBC47497","682699","Present"
-"NSC682700","","","","","","","","","","","","","","","","","","","","NSC682700","","CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(NC(CC3=CNC4=CC=CC=C43)C(=O)OC)O.N","JFAHHUIVDNXFKP-SZSNQCDMSA-N","388146",NA,"PDBC47498","682700","Present"
-"NSC682727","","","","","","","","","","","","","","","","","","","","NSC682727","","C1=CC(=CC=C1CC2=NNC(=O)N2NC(=O)C=CC(=O)O)Cl","AKAQPUPIWXZUEM-WAYWQWQTSA-N","5469086",NA,"PDBC47499","682727","Present"
-"NSC682756","","","","","","","","","","","","","","","","","","","","NSC682756","","C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)O","VGJJUMQUBMBUNH-UHFFFAOYSA-N","388188",NA,"PDBC47500","682756","Present"
-"NSC682761","","","","","","","","","","","","","","","","","","","","NSC682761","","CC1=CC=C(C=C1)C(=O)C2CC3(CCC2(C4=CC=C(C=C4)C)O)CC(=O)NC5=CC=CC=C5C3=O","JRGKQMNVZWSJDM-UHFFFAOYSA-N","388193",NA,"PDBC47501","682761","Present"
-"NSC682800","","","","","","","","","","","","","","","","","","","","NSC682800","","CC1=CC=C(C=C1)C2=NOC(=O)C3C2CCCC3","QNBVEHSARSTNSS-CHWSQXEVSA-N","388206",NA,"PDBC47502","682800","Present"
-"NSC682801","","","","","","","","","","","","","","","","","","","","NSC682801","","CC1=C2C3=C(C(=O)C(CCC3(C2(CCC(C1=O)(C)C)C)C)(C)C)C","TYOPVGKOCFDHBV-FGZHOGPDSA-N","388207",NA,"PDBC47503","682801","Present"
-"NSC682806","","","","","","","","","","","","","","","","","","","","NSC682806","","CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","KGHPPTLBPKJSIG-UHFFFAOYSA-N","388212",NA,"PDBC47504","682806","Present"
-"NSC682814","","","","","","","","","","","","","","","","","","","","NSC682814","","CC1=CN2C=C(N=C2S1)C3=CC=CS3.Br","NQHHMWYBKLLHDC-UHFFFAOYSA-N","388220",NA,"PDBC47505","682814","Present"
-"NSC682841","","","","","","","","","","","","","","","","","","","","NSC682841","","CC(C)C(=NOC(=O)NNC1=CC=CC=C1)Cl","BBDIJQDNZWDQJC-XNTDXEJSSA-N","5494354",NA,"PDBC47506","682841","Present"
-"NSC682860","","","","","","","","","","","","","","","","","","","","NSC682860","","C1C2C(NN=C2C3=CC=CC=C3O1)C4=CC=C(C=C4)Cl","DCRMYJXEUHIEHL-UHFFFAOYSA-N","388249",NA,"PDBC47507","682860","Present"
-"NSC682861","","","","","","","","","","","","","","","","","","","","NSC682861","","C1C2C(N(N=C2C3=CC=CC=C3O1)C4=CC=CC=C4)C5=CC=C(C=C5)Cl","FMMCIVXQBOSDGP-UHFFFAOYSA-N","388250",NA,"PDBC47508","682861","Present"
-"NSC682865","","","","","","","","","","","","","","","","","","","","NSC682865","","COC1=CC(=CC(=C1OC)OC)C2=NC(=NC3=C2CCC4=CC=CC=C43)SC","IYROEKOXFVOEOL-UHFFFAOYSA-N","388254",NA,"PDBC47509","682865","Present"
-"NSC682884","","","","","","","","","","","","","","","","","","","","NSC682884","","CCOC(=O)CC1C2(CO2)C=CC13OCC(CO3)(C)C","PHZFFRZLZZWSFO-SMDDNHRTSA-N","388270",NA,"PDBC47510","682884","Present"
-"NSC682922","","","","","","","","","","","","","","","","","","","","NSC682922","","C1CN(CCN1C2=CC=CC=N2)C(=O)C=CC3=CC4=CC=CC=C4O3.Cl","FFGMVWDKEZQJQX-HRNDJLQDSA-N","5469091",NA,"PDBC47511","682922","Present"
-"NSC683045","","","","","","","","","","","","","","","","","","","","NSC683045","","COC(=C(C#N)N=CC1=CN=CC=C1)N","HABHUFSXUAWZCH-ZFOSTORSSA-N","5469095",NA,"PDBC47512","683045","Present"
-"NSC683138","","","","","","","","","","","","","","","","","","","","NSC683138","","CC1CC(=O)C=CN1C(=O)N2C(COC2C(C)(C)C)C(=O)OC","AXNJPJZVPXQIML-SUHUHFCYSA-N","388344",NA,"PDBC47513","683138","Present"
-"NSC683139","","","","","","","","","","","","","","","","","","","","NSC683139","","CC1CC(=O)C=CN1C(=O)N2C(COC2C(C)(C)C)C(=O)OC","AXNJPJZVPXQIML-SCDSUCTJSA-N","388345",NA,"PDBC47514","683139","Present"
-"NSC683140","","","","","","","","","","","","","","","","","","","","NSC683140","","C1=CC(=C2C(=C1NCCNC(=O)C(C(C(C(CO)O)O)O)O)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNC(=O)C(C(C(C(CO)O)O)O)O","KAXJXWCDNNTGRB-UHFFFAOYSA-N","438894",NA,"PDBC47515","683140","Present"
-"NSC683248","","","","","","","","","","","","","","","","","","","","NSC683248","","C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4C2=O)CC5=CC=C(C=C5)[N+](=O)[O-].[Cl-]","CUEMSBGZUXAPTR-UHFFFAOYSA-O","438895",NA,"PDBC47516","683248","Present"
-"NSC683261","","","","","","","","","","","","","","","","","","","","NSC683261","","C1=CC(=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)O)C(=O)NC4=CC(=CC=C4)S(=O)(=O)O)C(=O)NC5=CC(=CC(=C5)C(=O)NC6=CC(=CC=C6)S(=O)(=O)O)C(=O)NC7=CC(=CC=C7)S(=O)(=O)O.[Na+]","CUXAZGUGJRTHOS-UHFFFAOYSA-N","54608486",NA,"PDBC47517","683261","Present"
-"NSC683265","","","","","","","","","","","","","","","","","","","","NSC683265","","C1=CC=C2C(=C1)C(=CC=N2)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","OGGMHRFNXWREOT-UHFFFAOYSA-N","54608756",NA,"PDBC47518","683265","Present"
-"NSC683266","","","","","","","","","","","","","","","","","","","","NSC683266","","CC1=NC2=CC=CC=C2C(=C1)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","IAMZDFFJVDDKIO-UHFFFAOYSA-N","54608487",NA,"PDBC47519","683266","Present"
-"NSC683270","","","","","","","","","","","","","","","","","","","","NSC683270","","C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O)N)S(=O)(=O)O.[Na+]","BCURRQHFRPOIQP-UHFFFAOYSA-N","54612578",NA,"PDBC47520","683270","Present"
-"NSC683271","","","","","","","","","","","","","","","","","","","","NSC683271","","C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)NC(CC3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)N)S(=O)(=O)O.[Na+]","AEFDHQNDUVIOAI-UHFFFAOYSA-N","54608488",NA,"PDBC47521","683271","Present"
-"NSC683272","","","","","","","","","","","","","","","","","","","","NSC683272","","C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)NC(CC3=CC=C(C=C3)S(=O)(=O)O)C(=O)NC(CC4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)N)S(=O)(=O)O.[Na+]","XNROUCBSYLCFGD-UHFFFAOYSA-N","54608492",NA,"PDBC47522","683272","Present"
-"NSC683273","","","","","","","","","","","","","","","","","","","","NSC683273","","C1=CC(=C2C=C(C=C(C2=C1NC(=O)CN)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","YWFBOJDSGYPLML-UHFFFAOYSA-N","54608856",NA,"PDBC47523","683273","Present"
-"NSC683274","","","","","","","","","","","","","","","","","","","","NSC683274","","C1=CC=C2C(=C1)C(=CC=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O.[Na+]","PHOHBTKYAZVNFV-UHFFFAOYSA-N","54608493",NA,"PDBC47524","683274","Present"
-"NSC683276","","","","","","","","","","","","","","","","","","","","NSC683276","","CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)NC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)CP(=O)(O)O)C.[Na+]","XGQKLAHNBVNQFY-UHFFFAOYSA-N","54608494",NA,"PDBC47525","683276","Present"
-"NSC683278","","","","","","","","","","","","","","","","","","","","NSC683278","","CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=C(C=C6)CP(=O)(O)O)C.[Na+]","RGEAVKCUAZINTD-UHFFFAOYSA-N","54608490",NA,"PDBC47526","683278","Present"
-"NSC683282","","","","","","","","","","","","","","","","","","","","NSC683282","","CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)O)CP(=O)(O)O)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)CP(=O)(O)O)CP(=O)(O)O)C.[Na+]","CGGCGOYPNXHKRT-UHFFFAOYSA-N","54608495",NA,"PDBC47527","683282","Present"
-"NSC683283","","","","","","","","","","","","","","","","","","","","NSC683283","","C1=CC(=CC=C1CC(C(=O)NC(CCCCNC(=O)NCCCCC(C(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)S(=O)(=O)O)N)C(=O)NC(CC4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)N)S(=O)(=O)O.[Na+]","HLJUGILXVTWSEF-UHFFFAOYSA-N","54608696",NA,"PDBC47528","683283","Present"
-"NSC683284","","","","","","","","","","","","","","","","","","","","NSC683284","","CC1=NC2=C(C=CC(=C2C(=C1)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OC)OC.[Na+]","MGQLUKHCAPJWAK-UHFFFAOYSA-N","54608496",NA,"PDBC47529","683284","Present"
-"NSC683285","","","","","","","","","","","","","","","","","","","","NSC683285","","CC1=CC(=C2C(=C(C=C(C2=N1)OC)[N+](=O)[O-])OC)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","AOZZQBPKLMWCRR-UHFFFAOYSA-N","54608491",NA,"PDBC47530","683285","Present"
-"NSC683286","","","","","","","","","","","","","","","","","","","","NSC683286","","CC1=NNC(=O)N1N=CCCC=NN2C(=NNC2=O)C","DHEPEEHQCNITBU-CBIKUMSCSA-N","5787014",NA,"PDBC47531","683286","Present"
-"NSC683287","","","","","","","","","","","","","","","","","","","","NSC683287","","C1=CC=C(C=C1)CC2=NNC(=O)N2N=CCCC=NN3C(=NNC3=O)CC4=CC=CC=C4","RJYXGXIBBTUJFI-GACBQCINSA-N","6077747",NA,"PDBC47532","683287","Present"
-"NSC683288","","","","","","","","","","","","","","","","","","","","NSC683288","","CC1=CC=C(C=C1)CC2=NNC(=O)N2N=CCCC=NN3C(=NNC3=O)CC4=CC=C(C=C4)C","BGKNUNBIVVPPQA-WFBNZKAHSA-N","5906992",NA,"PDBC47533","683288","Present"
-"NSC683289","","","","","","","","","","","","","","","","","","","","NSC683289","","C1=CC(=CC=C1CC2=NNC(=O)N2N=CCCC=NN3C(=NNC3=O)CC4=CC=C(C=C4)Cl)Cl","LYDYHYVCXLUSEP-RSKRUZOQSA-N","5920651",NA,"PDBC47534","683289","Present"
-"NSC683291","","","","","","","","","","","","","","","","","","","","NSC683291","","CC(C)(C)OC(=O)NN=C(CC1=CC=CC=C1)N","OFHSGIRZKLLPRM-UHFFFAOYSA-N","5466273",NA,"PDBC47535","683291","Present"
-"NSC683292","","","","","","","","","","","","","","","","","","","","NSC683292","","CC(C)(C)OC(=O)NN=C(C1=CC=CC=C1)N","UUWHNGLXDSXTLN-UHFFFAOYSA-N","5466274",NA,"PDBC47536","683292","Present"
-"NSC683322","","","","","","","","","","","","","","","","","","","","NSC683322","","CCC(C(C)C=C1SCCCS1)O","IHGNLDJEGQWIOK-BDAKNGLRSA-N","388414",NA,"PDBC47537","683322","Present"
-"NSC683323","","","","","","","","","","","","","","","","","","","","NSC683323","","CCCCCC(C(C)C=C1SCCCS1)O","DUKKPKIZMOMICQ-NEPJUHHUSA-N","388415",NA,"PDBC47538","683323","Present"
-"NSC683329","","","","","","","","","","","","","","","","","","","","NSC683329","","CSC1=NC(=O)N(C=C1)C2CC(C(O2)CO)F","QZUVUIPORGHWFO-UHFFFAOYSA-N","388421",NA,"PDBC47539","683329","Present"
-"NSC683338","","","","","","","","","","","","","","","","","","","","NSC683338","","CC1(C(NC(S1)CN)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)C","VJDBJGIOWKYECA-AEFFLSMTSA-N","388429",NA,"PDBC47540","683338","Present"
-"NSC683367","","","","","","","","","","","","","","","","","","","","NSC683367","","C1OC(C(C(C(O1)CN2C(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)O)O)CN5C(=C(N=N5)C6=CC=CC=C6)C7=CC=CC=C7","MSIKSINGMASXGM-RVOFTLIFSA-N","388441",NA,"PDBC47541","683367","Present"
-"NSC683426","","","","","","","","","","","","","","","","","","","","NSC683426","","","","",NA,"PDBC47542","683426","Present"
-"NSC683427","","","","","","","","","","","","","","","","","","","","NSC683427","","","","",NA,"PDBC47543","683427","Present"
-"NSC683433","","","","","","","","","","","","","","","","","","","","NSC683433","","CC(C)(C#CC1=CCN(CC1)C)O.C(=O)(C(=O)O)O","KPDXSLWWIZQVKB-UHFFFAOYSA-N","388477",NA,"PDBC47544","683433","Present"
-"NSC683437","","","","","","","","","","","","","","","","","","","","NSC683437","","CCCN(CCC)CCC1=CC=C(C=C1)OC2=CCN(CC2)C.C(=O)(C(=O)O)O","QSFMVXSCEVXTAJ-UHFFFAOYSA-N","388481",NA,"PDBC47545","683437","Present"
-"NSC683438","","","","","","","","","","","","","","","","","","","","NSC683438","","CN1CCC(=CC1)C2=CC=CN2C.C(=O)(C(=O)O)O","KZKSZWIUJGFVHW-UHFFFAOYSA-N","388483",NA,"PDBC47546","683438","Present"
-"NSC683496","","","","","","","","","","","","","","","","","","","","NSC683496","","CCOC(=O)CN=C1C2CSCN2C(=O)C3=CC=CC=C3N1.Cl","RNLCDKNSWPSCPX-UHFFFAOYSA-N","135450446",NA,"PDBC47547","683496","Present"
-"NSC683513","","","","","","","","","","","","","","","","","","","","NSC683513","","CC1=C(SC2=C1C(=NO)C3=CC=CN32)C","YYUGVXBVYQBTQG-BENRWUELSA-N","5466278",NA,"PDBC47548","683513","Present"
-"NSC683514","","","","","","","","","","","","","","","","","","","","NSC683514","","C[N+]12C=CC=C1C(C3=C2C=C(S3)C4=CC=C(C=C4)Cl)N5CCCC5.[I-]","ZVBSUVUVNPTQIR-UHFFFAOYSA-M","388530",NA,"PDBC47549","683514","Present"
-"NSC683515","","","","","","","","","","","","","","","","","","","","NSC683515","","C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=CC=C4)N5CCCC5.[I-]","RMMLSJGASAMVTE-UHFFFAOYSA-M","388532",NA,"PDBC47550","683515","Present"
-"NSC683516","","","","","","","","","","","","","","","","","","","","NSC683516","","C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=C(C=C4)F)N5CCCC5.[I-]","NPBGGQGNKSCMTE-UHFFFAOYSA-M","388534",NA,"PDBC47551","683516","Present"
-"NSC683518","","","","","","","","","","","","","","","","","","","","NSC683518","","C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=C(C=C4)OC)N5CCCC5.[I-]","LABISLJYDABEKZ-UHFFFAOYSA-M","388538",NA,"PDBC47552","683518","Present"
-"NSC683555","","","","","","","","","","","","","","","","","","","","NSC683555","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=C(C=C6)NC7C8COC(=O)C8C(C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O","QPEJOQWVBDJCKB-NNFSRNKVSA-N","388554",NA,"PDBC47553","683555","Present"
-"NSC683556","","","","","","","","","","","","","","","","","","","","NSC683556","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=C(C=C6)NC7C8COC(=O)C8C(C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O.Cl","HGDZRHFBGBJBPK-NLSYGQMZSA-N","388555",NA,"PDBC47554","683556","Present"
-"NSC683557","","","","","","","","","","","","","","","","","","","","NSC683557","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=CC=C6NC7C8COC(=O)C8C(C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O","MUPKVSTUEPDRJK-UINMZKSFSA-N","388556",NA,"PDBC47555","683557","Present"
-"NSC683558","","","","","","","","","","","","","","","","","","","","NSC683558","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=CC=C6NC7C8COC(=O)C8C(C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O.Cl","IGQDFHASVXHFOP-ULLBRXORSA-N","388557",NA,"PDBC47556","683558","Present"
-"NSC683561","","","","","","","","","","","","","","","","","","","","NSC683561","","COC(=C(C#N)N=CC1=CC=CO1)N","LYHOYWOJZSKHEO-XHZBUCITSA-N","5469129",NA,"PDBC47557","683561","Present"
-"NSC683564","","","","","","","","","","","","","","","","","","","","NSC683564","","COC(=O)C=CC(C#N)(C#N)N=CC1=CSC=C1","WYTYPKMIHOQZKL-HOGGMAPHSA-N","5469130",NA,"PDBC47558","683564","Present"
-"NSC683565","","","","","","","","","","","","","","","","","","","","NSC683565","","C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CSC=C4)(C#N)C#N","HKMRFGILPPETFM-KKUMJFAQSA-N","388562",NA,"PDBC47559","683565","Present"
-"NSC683566","","","","","","","","","","","","","","","","","","","","NSC683566","","COC(=C(C#N)N=CC1=CC2=CC=CC=C2C=C1)N","JYYWFKHHKHRYDY-YTTHWRMNSA-N","5469131",NA,"PDBC47560","683566","Present"
-"NSC683585","","","","","","","","","","","","","","","","","","","","NSC683585","","CC(C(=O)NC(C)(CC1=CC=CC=C1)C(=O)OC)N2C(COC2(C)C)C3=CC=CC=C3","ZZTJJTIIGLOMRH-JYMRHQFYSA-N","388574",NA,"PDBC47561","683585","Present"
-"NSC683586","","","","","","","","","","","","","","","","","","","","NSC683586","","CC(C(=O)N(C)C(C)C(=O)OC)N1C(COC1(C)C)C2=CC=CC=C2","PNGBHCLSZOONKR-OFQRWUPVSA-N","388575",NA,"PDBC47562","683586","Present"
-"NSC683587","","","","","","","","","","","","","","","","","","","","NSC683587","","CCCCCCCCCCCCCC=CC1C(N1S(=O)C2=CC=C(C=C2)C)C(=O)OC","AZKUUQNZEQUQCQ-QAIYWERISA-N","5469132",NA,"PDBC47563","683587","Present"
-"NSC683595","","","","","","","","","","","","","","","","","","","","NSC683595","","CC1=CC=C(C=C1)N2C(=O)C(=NN2)C(=O)N.[Na+]","UCHQMEFCVZYJIM-UHFFFAOYSA-N","54608700",NA,"PDBC47564","683595","Present"
-"NSC683601","","","","","","","","","","","","","","","","","","","","NSC683601","","CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=NN2)C(=O)N.[Na+]","RTEBHHIWDCRMDK-UHFFFAOYSA-N","54608949",NA,"PDBC47565","683601","Present"
-"NSC683602","","","","","","","","","","","","","","","","","","","","NSC683602","","CCOC(=O)C1=C(SN=N1)NN=CC2=CC=C(C=C2)[N+](=O)[O-]","HPUIJTIVXCAMAW-QPEQYQDCSA-N","5931749",NA,"PDBC47566","683602","Present"
-"NSC683605","","","","","","","","","","","","","","","","","","","","NSC683605","","C1=CC=C(C=C1)NC(=O)C(=NNC2=C(NC=N2)C(=O)N)C#N","CUILYSNMBGFHOC-OCKHKDLRSA-N","5466279",NA,"PDBC47567","683605","Present"
-"NSC683608","","","","","","","","","","","","","","","","","","","","NSC683608","","CC1=CC=CC=C1NC(=O)C(=NNC2=C(NC=N2)C(=O)N)C#N","VQVAMGLVGZTTQM-JMIUGGIZSA-N","5466280",NA,"PDBC47568","683608","Present"
-"NSC683610","","","","","","","","","","","","","","","","","","","","NSC683610","","C1COCCN1C2=NN(C(=N)S2)CC(=O)C3=CC=CC=C3.Br","BUBNKUDQKPJRNV-UHFFFAOYSA-N","388601",NA,"PDBC47569","683610","Present"
-"NSC683620","","","","","","","","","","","","","","","","","","","","NSC683620","","CC(C1=CC(=C(C=C1N=NN(C)C)OC)OC)C2=[N+](C=CC3=CC(=C(C=C32)OC)OC)C.I.[I-]","WJSAAKJSMVXGAI-UHFFFAOYSA-M","388612",NA,"PDBC47570","683620","Present"
-"NSC683630","","","","","","","","","","","","","","","","","","","","NSC683630","","CN(C)CCC1=CC=NC2=NC(=CN12)C3=CC4=CC=CC=C4C=C3.I","BHDUIBHHIRNWEK-UHFFFAOYSA-N","388619",NA,"PDBC47571","683630","Present"
-"NSC683631","","","","","","","","","","","","","","","","","","","","NSC683631","","CN(C)CCNC1=NC=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4.Br","RDMIUXRTFVATGS-UHFFFAOYSA-N","388621",NA,"PDBC47572","683631","Present"
-"NSC683632","","","","","","","","","","","","","","","","","","","","NSC683632","","CN(C)CCNC1=NC=NC2=C1NC(=N2)C3=CC4=CC=CC=C4C=C3.Cl","DVMURPDGGRWDGD-UHFFFAOYSA-N","22210545",NA,"PDBC47573","683632","Present"
-"NSC683633","","","","","","","","","","","","","","","","","","","","NSC683633","","CN(C)CCNC1=NC(=NC2=C1NC=N2)C3=CC4=CC=CC=C4C=C3.Br","LDMRKDLVRADKSF-UHFFFAOYSA-N","22210546",NA,"PDBC47574","683633","Present"
-"NSC683661","","","","","","","","","","","","","","","","","","","","NSC683661","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CN)OC.Cl","ACZTVMPOXSEJFR-OKQVZOFKSA-N","5469145",NA,"PDBC47575","683661","Present"
-"NSC683662","","","","","","","","","","","","","","","","","","","","NSC683662","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CN(C)C)OC.Cl","VEUZXALJQPZYNZ-VWIAEACDSA-N","5469147",NA,"PDBC47576","683662","Present"
-"NSC683664","","","","","","","","","","","","","","","","","","","","NSC683664","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCN(C)C)OC.Cl","UTAHCXVRTQCBGT-YTDVBHLFSA-N","5469151",NA,"PDBC47577","683664","Present"
-"NSC683683","","","","","","","","","","","","","","","","","","","","NSC683683","","CN(C)CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C2=O)O)O.[Cl-]","ZYRNKXCLGJPZJH-UHFFFAOYSA-N","388666",NA,"PDBC47578","683683","Present"
-"NSC683699","","","","","","","","","","","","","","","","","","","","NSC683699","","CC1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4F)F","BMTBMJVTNBYPOB-JDNHERCYSA-N","469798",NA,"PDBC47579","683699","Present"
-"NSC683758","","","","","","","","","","","","","","","","","","","","NSC683758","","CN1C(=O)C(=CC2=CC=C(C=C2)S(=O)(=O)NN=CC(C(C(CO)O)O)O)NC1=O","HTTHJURVFGZQDY-OIPSUNMISA-N","5914329",NA,"PDBC47580","683758","Present"
-"NSC683763","","","","","","","","","","","","","","","","","","","","NSC683763","","CC(=O)N(N=CC(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N2","PTKZKUXFGJMTHX-MVQBFVJLSA-N","6054374",NA,"PDBC47581","683763","Present"
-"NSC683826","","","","","","","","","","","","","","","","","","","","NSC683826","","CCN(CC)CCC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C.Cl","FJAMGHVXJZAIEC-UHFFFAOYSA-N","388741",NA,"PDBC47582","683826","Present"
-"NSC683827","","","","","","","","","","","","","","","","","","","","NSC683827","","CCN(CC)CCC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2.Cl","BGUZTROWQHMNPK-UHFFFAOYSA-N","388743",NA,"PDBC47583","683827","Present"
-"NSC683828","","","","","","","","","","","","","","","","","","","","NSC683828","","CCN(CC)CCC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)F.Cl","JLTNKJMJXSUOQT-UHFFFAOYSA-N","388745",NA,"PDBC47584","683828","Present"
-"NSC683829","","","","","","","","","","","","","","","","","","","","NSC683829","","CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)(C4=CC=C(C=C4)OC5=CC=C(C=C5)F)O.Cl","HUOQGQMONKVLEF-UHFFFAOYSA-N","388747",NA,"PDBC47585","683829","Present"
-"NSC683830","","","","","","","","","","","","","","","","","","","","NSC683830","","CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)OC5=CC=C(C=C5)Cl)O.Cl","MFQMBCSCUXFMEU-UHFFFAOYSA-N","388749",NA,"PDBC47586","683830","Present"
-"NSC683831","","","","","","","","","","","","","","","","","","","","NSC683831","","CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C)(C4=CC=C(C=C4)OC5=CC=C(C=C5)C)O.Cl","AXYVGEITWULTOE-UHFFFAOYSA-N","388751",NA,"PDBC47587","683831","Present"
-"NSC683832","","","","","","","","","","","","","","","","","","","","NSC683832","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=C(C=CC=C2Cl)F.Cl","GEAUBJCTZQJYAV-HRNDJLQDSA-N","6519308",NA,"PDBC47588","683832","Present"
-"NSC683834","","","","","","","","","","","","","","","","","","","","NSC683834","","CN(C)CC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)CN(C)C)C2=O)O","UJECSONHGKGSEE-FDYZEBBJSA-N","6067712",NA,"PDBC47589","683834","Present"
-"NSC683844","","","","","","","","","","","","","","","","","","","","NSC683844","","C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(NC(=O)O3)C(=O)O","OZQKCVAKLCDLFD-LSDHHAIUSA-N","388766",NA,"PDBC47590","683844","Present"
-"NSC683849","","","","","","","","","","","","","","","","","","","","NSC683849","","CCOC(=O)NCC(=O)NCC(=O)NCC(=O)N.Cl","ICANIKNVMOAEJO-UHFFFAOYSA-N","388771",NA,"PDBC47591","683849","Present"
-"NSC683852","","","","","","","","","","","","","","","","","","","","NSC683852","","C(CCNCCCNC(=O)C(F)(F)F)CNCCCNC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O","ACEVALSGCBCVGI-UHFFFAOYSA-N","388775",NA,"PDBC47592","683852","Present"
-"NSC683855","","","","","","","","","","","","","","","","","","","","NSC683855","","COC1=C2C=C(CC(NC(=O)CCO2)C(=O)OC)C=C1","NBJNOZIJVXJDDN-JTQLQIEISA-N","388780",NA,"PDBC47593","683855","Present"
-"NSC683859","","","","","","","","","","","","","","","","","","","","NSC683859","","CC1(OC2CN3C4=CC=CC=C4C(=C3C2O1)C(=O)OC)C","WZRKQZFGNDPESZ-BXUZGUMPSA-N","388782",NA,"PDBC47594","683859","Present"
-"NSC683860","","","","","","","","","","","","","","","","","","","","NSC683860","","CC1CCC(C(C1)OC(=O)C2=C3C4C(CN3C5=CC=CC=C52)OC(O4)(C)C)C(C)C","GUQHSHGDGQDAHV-NCRVWVENSA-N","388783",NA,"PDBC47595","683860","Present"
-"NSC683878","","","","","","","","","","","","","","","","","","","","NSC683878","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C.C1CCN(C1)CCO","WCSPJNGLPRUHOY-BZPPLKHNSA-N","6712426",NA,"PDBC47596","683878","Present"
-"NSC683883","","","","","","","","","","","","","","","","","","","","NSC683883","","CC1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4Cl)F","ANWLALHSVVQOAU-XXFAHNHDSA-N","5469179",NA,"PDBC47597","683883","Present"
-"NSC683887","","","","","","","","","","","","","","","","","","","","NSC683887","","CC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3NC(C2)C4=CC=CC=C4)N)N.CC(=O)O","NZPSADXHWJIOAK-UHFFFAOYSA-N","388800",NA,"PDBC47598","683887","Present"
-"NSC683896","","","","","","","","","","","","","","","","","","","","NSC683896","","CC(C(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)CCCCCC(=O)NCC(=O)NC(C)C(=O)OCC2=CC=CC=C2","QNAWWPGUQFSBNO-GOTSBHOMSA-N","5469181",NA,"PDBC47599","683896","Present"
-"NSC683897","","","","","","","","","","","","","","","","","","","","NSC683897","","CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3O2)C(=O)NCC(=O)NC(C)C(=O)OCC4=CC=CC=C4)C)C(=O)NCC(=O)NC(C)C(=O)OCC5=CC=CC=C5","LJEAPZNWZANDGV-UIOOFZCWSA-N","5469182",NA,"PDBC47600","683897","Present"
-"NSC683898","","","","","","","","","","","","","","","","","","","","NSC683898","","CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3O2)C(=O)NCCC(=O)NC(C)C(=O)OCC4=CC=CC=C4)C)C(=O)NCCC(=O)NC(C)C(=O)OCC5=CC=CC=C5","KCXYTUFGMQVUNL-NSOVKSMOSA-N","5469183",NA,"PDBC47601","683898","Present"
-"NSC684068","","","","","","","","","","","","","","","","","","","","NSC684068","","CC(C)(C)OC(=O)NN=C(CC1=CC=C(C=C1)Cl)N","LNCQFLSZOPKRQA-UHFFFAOYSA-N","5466299",NA,"PDBC47602","684068","Present"
-"NSC684107","","","","","","","","","","","","","","","","","","","","NSC684107","","CN1CCN(CC1)CC2=NC3=C(S2)CCC4=C3C=CS4.Cl","PLZMGPICSOOGTF-UHFFFAOYSA-N","388879",NA,"PDBC47603","684107","Present"
-"NSC684108","","","","","","","","","","","","","","","","","","","","NSC684108","","CN1CCN(CC1)CC2=NC3=C(S2)CCC4=C3C=CC=C4OC.Cl","JEOKEFWRVGJNSS-UHFFFAOYSA-N","388881",NA,"PDBC47604","684108","Present"
-"NSC684109","","","","","","","","","","","","","","","","","","","","NSC684109","","C1CSC2=NC(=C(N21)C=CC3=CC=CS3)Cl.Br","ACMNEXKXBAAKIK-BJILWQEISA-N","5469191",NA,"PDBC47605","684109","Present"
-"NSC684115","","","","","","","","","","","","","","","","","","","","NSC684115","","CC1(CC(=NO1)Cl)C(C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O","GYDATEDCZIIRPF-ZRKZCGFPSA-N","388890",NA,"PDBC47606","684115","Present"
-"NSC684132","","","","","","","","","","","","","","","","","","","","NSC684132","","CCOC(=O)C(C)OC(=O)C(C)(C1NC=C(CS1)C(=O)OC)NC(=O)C2=CC=CC=C2C(=O)OC","AFCIIWFPMLTTET-DFTDMARZSA-N","6712427",NA,"PDBC47607","684132","Present"
-"NSC684370","","","","","","","","","","","","","","","","","","","","NSC684370","","","","",NA,"PDBC47608","684370","Present"
-"NSC684371","","","","","","","","","","","","","","","","","","","","NSC684371","","","","",NA,"PDBC47609","684371","Present"
-"NSC684377","","","","","","","","","","","","","","","","","","","","NSC684377","","COC1=CC=C(C=C1)C=C2C(=NC(=S)N2)Cl","PRIAZYIIVNBCSB-RMKNXTFCSA-N","6367575",NA,"PDBC47610","684377","Present"
-"NSC684380","","","","","","","","","","","","","","","","","","","","NSC684380","","CC1=CC=C(C=C1)NC2=NC(=CC3=CC=CO3)C(=N2)Cl","BIEOHWXHMPKPMX-UKTHLTGXSA-N","20835540",NA,"PDBC47611","684380","Present"
-"NSC684392","","","","","","","","","","","","","","","","","","","","NSC684392","","C1COCCN1C2=C(N3C(=O)C(=CC4=CC=CC=C4O)NC3=NC2=O)N","WCUNVPFYZXHEFG-LUAWRHEFSA-N","5922892",NA,"PDBC47612","684392","Present"
-"NSC684395","","","","","","","","","","","","","","","","","","","","NSC684395","","C1CCN(CC1)C2=C(N3C(=O)C(=CC4=CC=CO4)NC3=NC2=O)N","WOJSGOACTWCHSJ-LUAWRHEFSA-N","5935694",NA,"PDBC47613","684395","Present"
-"NSC684396","","","","","","","","","","","","","","","","","","","","NSC684396","","C1=CC=C(C=C1)C=C2C(=NC(=NCCCO)N2)Cl","AYKHIEWSUOZKHS-PKNBQFBNSA-N","135505116",NA,"PDBC47614","684396","Present"
-"NSC684398","","","","","","","","","","","","","","","","","","","","NSC684398","","CCOC=NC1=C(SC2=NC(=CC3=CC=C(C=C3)OC)C(=O)N12)C#N","QWXSUNLIDKDWMQ-QDRMOUQYSA-N","6286946",NA,"PDBC47615","684398","Present"
-"NSC684402","","","","","","","","","","","","","","","","","","","","NSC684402","","C1=COC(=C1)C=C2C(=O)N3C4=C(C(=O)NC=N4)SC3=N2","NJCSCEGXDHAARQ-DAXSKMNVSA-N","135505117",NA,"PDBC47616","684402","Present"
-"NSC684403","","","","","","","","","","","","","","","","","","","","NSC684403","","C1=COC(=C1)C=C2C(=NC(=N2)NN)Cl","ODTQWDDTNYYUGU-XQRVVYSFSA-N","6519325",NA,"PDBC47617","684403","Present"
-"NSC684445","","","","","","","","","","","","","","","","","","","","NSC684445","","C1CCN(C(C1)CO)CC2=NC3=C(N2)C=C(C=C3)Cl.Cl","KTXGRSJZLIKOBO-UHFFFAOYSA-N","389006",NA,"PDBC47618","684445","Present"
-"NSC684448","","","","","","","","","","","","","","","","","","","","NSC684448","","CC12C3CC4(C3C(=O)N1C(CO2)C5=CC=CC=C5)SCCS4","HRUYNPWKJWIJIR-GKDOYEIJSA-N","389010",NA,"PDBC47619","684448","Present"
-"NSC684587","","","","","","","","","","","","","","","","","","","","NSC684587","","CC(=NO)C1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","WNXDHQOVUHWKNN-YSURURNPSA-N","5466307",NA,"PDBC47620","684587","Present"
-"NSC684694","","","","","","","","","","","","","","","","","","","","NSC684694","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC(CC3=CC=CC=C3)C(=O)OC)O)N=[N+]=[N-].N","WXKMGLSRTKSAID-KHPDZDGVSA-N","389054",NA,"PDBC47621","684694","Present"
-"NSC684699","","","","","","","","","","","","","","","","","","","","NSC684699","","CC1=CC=C(C=C1)C=CC(=O)C2=C(ON=[N+]2C3=CC=CC=C3)[O-]","FDOOEFSONRUFMB-VAWYXSNFSA-N","5469236",NA,"PDBC47622","684699","Present"
-"NSC684700","","","","","","","","","","","","","","","","","","","","NSC684700","","C1=CC=C(C=C1)[N+]2=NOC(=C2C(=O)C=CC3=CC=C(C=C3)C(F)(F)F)[O-]","DDNPZBPYIXQWJA-DHZHZOJOSA-N","5469238",NA,"PDBC47623","684700","Present"
-"NSC684708","","","","","","","","","","","","","","","","","","","","NSC684708","","CC1=CC(=CC(=C1C=CC(=O)N2C(COC2=O)C3=CC=CC=C3)C)OC","QZKOTPLNHNGSPW-JBVUFVISSA-N","5469244",NA,"PDBC47624","684708","Present"
-"NSC684709","","","","","","","","","","","","","","","","","","","","NSC684709","","CC=CC(=O)N1C(COC1=O)C2=CC=CC=C2","DCVIMWRFFDRWJM-SZHMKSFOSA-N","5469245",NA,"PDBC47625","684709","Present"
-"NSC684714","","","","","","","","","","","","","","","","","","","","NSC684714","","CCN1C2=C(C=CC(=C2)Cl)SC1=CC#CC(=CC3=[N+](C4=C(S3)C=CC(=C4)Cl)CC)C.[I-]","DURWKAOGNKODAC-UHFFFAOYSA-M","5469246",NA,"PDBC47626","684714","Present"
-"NSC684751","","","","","","","","","","","","","","","","","","","","NSC684751","","CCOC(=O)C1(CC(C(=O)N1C)O)C","AZBHNAFMWGXTMQ-IOJJLOCKSA-N","389092",NA,"PDBC47627","684751","Present"
-"NSC684753","","","","","","","","","","","","","","","","","","","","NSC684753","","CN1C(CC(C1=O)O)C2=CC=C(C=C2)F","BBVGEIFNTZBCIB-YHMJZVADSA-N","389094",NA,"PDBC47628","684753","Present"
-"NSC684829","","","","","","","","","","","","","","","","","","","","NSC684829","","C1C2CC3CC1CC(C2)(C3)[P+](CO)(CO)CO.[Cl-]","NKBZBQPQAFPKJW-UHFFFAOYSA-M","389144",NA,"PDBC47629","684829","Present"
-"NSC684969","","","","","","","","","","","","","","","","","","","","NSC684969","","COC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3C(=O)N2","SRNGRTQASASQIG-JLHYYAGUSA-N","135454458",NA,"PDBC47630","684969","Present"
-"NSC685110","","","","","","","","","","","","","","","","","","","","NSC685110","","CC1=CC=C(C=C1)S(=O)(=O)NC(=CC=CC2=CC=CC=C2)C(=O)C(C)(C)C","FHBNMFSRMYLHFF-HGZPKWKRSA-N","5469264",NA,"PDBC47631","685110","Present"
-"NSC685115","","","","","","","","","","","","","","","","","","","","NSC685115","","CCOC(=O)C1(CCCN1C(=O)C(CNC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)C(=O)OCC","GIRJVKVQEKAXEQ-IBGZPJMESA-N","389295",NA,"PDBC47632","685115","Present"
-"NSC685122","","","","","","","","","","","","","","","","","","","","NSC685122","","","","",NA,"PDBC47633","685122","Present"
-"NSC685123","","","","","","","","","","","","","","","","","","","","NSC685123","","","","",NA,"PDBC47634","685123","Present"
-"NSC685185","","","","","","","","","","","","","","","","","","","","NSC685185","","CC1=CN(C(=O)N(C1=O)C)C2C(C(=CC(=O)OC)C(O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","SJIASRYBWDNGHN-NBVRZTHBSA-N","5469270",NA,"PDBC47635","685185","Present"
-"NSC685189","","","","","","","","","","","","","","","","","","","","NSC685189","","CC1=CN(C(=O)NC1=O)C2C(C(=CC#N)C(O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","SQJCSVASMHMSKO-SFQUDFHCSA-N","5469272",NA,"PDBC47636","685189","Present"
-"NSC685232","","","","","","","","","","","","","","","","","","","","NSC685232","","CC1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CC=C3O","XUQJUCVDMIHNCH-YVLHZVERSA-N","135505118",NA,"PDBC47637","685232","Present"
-"NSC685233","","","","","","","","","","","","","","","","","","","","NSC685233","","CC1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=C(C=C3)[N+](=O)[O-]","VWEUESNEPMAXPJ-YVLHZVERSA-N","5916746",NA,"PDBC47638","685233","Present"
-"NSC685262","","","","","","","","","","","","","","","","","","","","NSC685262","","C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=CC=C3","NSMAKNFNLHJIIE-YGPCBGHTSA-N","135505119",NA,"PDBC47639","685262","Present"
-"NSC685263","","","","","","","","","","","","","","","","","","","","NSC685263","","CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=CC=C3","KEHWABRYEMPSBL-DPYYQBSUSA-N","135505120",NA,"PDBC47640","685263","Present"
-"NSC685264","","","","","","","","","","","","","","","","","","","","NSC685264","","C1=CC=C(C=C1)C=NNC2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2","IZZSDRJFMVPELL-LGDLHNLVSA-N","135505121",NA,"PDBC47641","685264","Present"
-"NSC685271","","","","","","","","","","","","","","","","","","","","NSC685271","","COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","SOIJVVDWZTZYGW-WLCSGIKUSA-N","135505126",NA,"PDBC47642","685271","Present"
-"NSC685287","","","","","","","","","","","","","","","","","","","","NSC685287","","CC(=NN=CC1=CC=CC=N1)C(=NN=CC2=CC=CC=N2)C","XRSBWJAPULDRFC-ACVQJTFVSA-N","9572005",NA,"PDBC47643","685287","Present"
-"NSC685288","","","","","","","","","","","","","","","","","","","","NSC685288","","CC(=NN=CC1=CC=CC=N1)C(=NN=C(C)C(=NN=CC2=CC=CC=N2)C)C","WMDWVILUYYTFPS-MACSXGQBSA-N","9572006",NA,"PDBC47644","685288","Present"
-"NSC685289","","","","","","","","","","","","","","","","","","","","NSC685289","","CC(=NN=CC1=CC=CC=N1)C(=NN=C(C)C(=NN=C(C)C(=NN=CC2=CC=CC=N2)C)C)C","DBXFSIOIXQXIQP-DFLDNLKISA-N","9572007",NA,"PDBC47645","685289","Present"
-"NSC685290","","","","","","","","","","","","","","","","","","","","NSC685290","","CC(=NN=CC1=CC=CC=N1)C(=NN=C(C)C(=NN=C(C)C(=NN=C(C)C(=NN=CC2=CC=CC=N2)C)C)C)C","SYJMRYKKVYTRPI-GQLIGBBESA-N","9572008",NA,"PDBC47646","685290","Present"
-"NSC685291","","","","","","","","","","","","","","","","","","","","NSC685291","","CC(=NN)C(=NN=C(C)C(=NN)C)C","HHYHTXIRMGYIGZ-JRXATRHQSA-N","5466320",NA,"PDBC47647","685291","Present"
-"NSC685292","","","","","","","","","","","","","","","","","","","","NSC685292","","CC(=NN)C(=NN=C(C)C(=NN=C(C)C(=NN)C)C)C","PXLFHHWLMMHRSA-OBCBRKHSSA-N","5466321",NA,"PDBC47648","685292","Present"
-"NSC685293","","","","","","","","","","","","","","","","","","","","NSC685293","","CC(=NN)C(=NN=C(C)C(=NN=C(C)C(=NN=C(C)C(=NN)C)C)C)C","GHPCVUWIQLXMNZ-NVIGLPKJSA-N","5466322",NA,"PDBC47649","685293","Present"
-"NSC685302","","","","","","","","","","","","","","","","","","","","NSC685302","","CC(CCC1=NC(=C(O1)N)C#N)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)O)C)O)O)C","OHPBWXLHDZTONA-REGAAARSSA-N","389349",NA,"PDBC47650","685302","Present"
-"NSC685414","","","","","","","","","","","","","","","","","","","","NSC685414","","COC1=CC=CC=C1C(=NOCCC(=O)O)C2=CC=CS2","WFFUZDZJDDPFBI-FOCLMDBBSA-N","5466324",NA,"PDBC47651","685414","Present"
-"NSC685420","","","","","","","","","","","","","","","","","","","","NSC685420","","CC1CCC(C(C1)OC2=NN=C(O2)C3C(C(C(O3)CO)O)O)C(C)C","ZPCDVVXMXQKNCY-PXBTURIHSA-N","389374",NA,"PDBC47652","685420","Present"
-"NSC685421","","","","","","","","","","","","","","","","","","","","NSC685421","","CC(=O)OC1CCC2(C3CCC4(C(C3C(C=C2C1)C5=CC=C(C=C5)O)CCC4OC(=O)C)C)C","BUZUXICQRJRITM-IPQAMJNRSA-N","389375",NA,"PDBC47653","685421","Present"
-"NSC685422","","","","","","","","","","","","","","","","","","","","NSC685422","","CC1(OCC(O1)C(C2C=CC(=O)S2)O)C","PIBIEMXUMLFSFB-LXZQMHNESA-N","6712432",NA,"PDBC47654","685422","Present"
-"NSC685423","","","","","","","","","","","","","","","","","","","","NSC685423","","COC1=CC=C(C=C1)CC(CO)NC2=C(CCC2)C#N","BMPIJGYSYBXBMU-AWEZNQCLSA-N","389376",NA,"PDBC47655","685423","Present"
-"NSC685430","","","","","","","","","","","","","","","","","","","","NSC685430","","C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4","PLIQWXNVJOPJOT-ZEQRLZLVSA-N","5469298",NA,"PDBC47656","685430","Present"
-"NSC685473","","","","","","","","","","","","","","","","","","","","NSC685473","","C1=CC=C(C(=C1)C2=NC(=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4O2)O","GZZLUWFPOJQTPH-DYTRJAOYSA-N","135505132",NA,"PDBC47657","685473","Present"
-"NSC685475","","","","","","","","","","","","","","","","","","","","NSC685475","","C1=CC=C(C=C1)C(=O)COC2=CC=CC=C2C3=NC(=C4C=CC=CC4=O)SS3","KGTSUOHVDSEKTR-PGMHBOJBSA-N","5469301",NA,"PDBC47658","685475","Present"
-"NSC685476","","","","","","","","","","","","","","","","","","","","NSC685476","","C1=CC=C(C(=C1)C2=NC(=C3C=CC=CC3=O)SS2)OCC(=O)C4=CC=C(C=C4)Br","VDUYPDGBSKTJHB-PGMHBOJBSA-N","5469302",NA,"PDBC47659","685476","Present"
-"NSC685479","","","","","","","","","","","","","","","","","","","","NSC685479","","CCOC(=O)C1=C(N=C(SC1=N)C2=CC=C(C=C2)Cl)SC.OCl(=O)(=O)=O","DMMAJQWRNHGPEC-UHFFFAOYSA-N","21144986",NA,"PDBC47660","685479","Present"
-"NSC685480","","","","","","","","","","","","","","","","","","","","NSC685480","","CCOC(=O)C1=CN=C2NC3CCCCC3N2C1=O","FZXRCBMDQQRVRV-UWVGGRQHSA-N","389408",NA,"PDBC47661","685480","Present"
-"NSC685481","","","","","","","","","","","","","","","","","","","","NSC685481","","CCOC(=O)C1=CN2C3CCCCC3NC2=NC1=O","ZKGBYHFBCUEAFR-UWVGGRQHSA-N","389409",NA,"PDBC47662","685481","Present"
-"NSC685486","","","","","","","","","","","","","","","","","","","","NSC685486","","CC1=CC(N2C3=CC4=CC=CC=C4C=C3N=C2N1)C5=CC=CC=C5","PWLWTAFHXYKIKP-UHFFFAOYSA-N","389414",NA,"PDBC47663","685486","Present"
-"NSC685487","","","","","","","","","","","","","","","","","","","","NSC685487","","C1CCC2=C(C1)C(N3C4=CC5=CC=CC=C5C=C4N=C3N2)C6=CC=CC=C6","UNMUPBFNERJVKC-UHFFFAOYSA-N","389415",NA,"PDBC47664","685487","Present"
-"NSC685518","","","","","","","","","","","","","","","","","","","","NSC685518","","CCOC(=O)C=C1C(=O)NC2=CC(=C(C=C2N1)F)F","KWCBMVSAQBYXOG-BJMVGYQFSA-N","5469307",NA,"PDBC47665","685518","Present"
-"NSC685533","","","","","","","","","","","","","","","","","","","","NSC685533","","CCN(CC)CCOCC1CCCN2C1CCCC2","NVHIJVKEEILZGK-UHFFFAOYSA-N","5459287",NA,"PDBC47666","685533","Present"
-"NSC685676","","","","","","","","","","","","","","","","","","","","NSC685676","","CC(=O)C1=NC=CN=C1C(=C(C#N)C#N)OC(=O)C.CC(=O)O","FCRIRPBXGKPUFL-UHFFFAOYSA-N","389466",NA,"PDBC47667","685676","Present"
-"NSC685678","","","","","","","","","","","","","","","","","","","","NSC685678","","CCOC(=O)C(=C(C1=NC=CN=C1)O)C(=O)N.CC(=O)O","AXXRORAEURFYGH-USRGLUTNSA-N","54725321",NA,"PDBC47668","685678","Present"
-"NSC685708","","","","","","","","","","","","","","","","","","","","NSC685708","","CCCCCCSCC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","QWAPZLBVSLSCGX-CLAROIROSA-N","389486",NA,"PDBC47669","685708","Present"
-"NSC685817","","","","","","","","","","","","","","","","","","","","NSC685817","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3C(=NC(=N4)N)Cl)OC5=CC=C(C=C5)C","QZDRFNLXNUYBKC-UHFFFAOYSA-N","389526",NA,"PDBC47670","685817","Present"
-"NSC685830","","","","","","","","","","","","","","","","","","","","NSC685830","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=CN=C4SC)OC5=CC=C(C=C5)C","QHMGUPLFEKMFEK-UHFFFAOYSA-N","389532",NA,"PDBC47671","685830","Present"
-"NSC685835","","","","","","","","","","","","","","","","","","","","NSC685835","","CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3C(=NC(=N4)Br)SC)OC5=CC=C(C=C5)C","PCMLOLZCOLJCKD-UHFFFAOYSA-N","389537",NA,"PDBC47672","685835","Present"
-"NSC685837","","","","","","","","","","","","","","","","","","","","NSC685837","","CCNC1=NC2=C(C(=O)N1)N=CN2C3CC(C(O3)COP(=O)(O)O)O.N","XXQSKKNDAKKPFX-UHFFFAOYSA-N","135505135",NA,"PDBC47673","685837","Present"
-"NSC685844","","","","","","","","","","","","","","","","","","","","NSC685844","","C1C(N=C(N=C1C2=C(C=CC(=C2)Cl)O)N=CC3=CC=CC=C3)C4=CC=CC=C4","AFNHRZJHRPNQMW-MYYYXRDXSA-N","135505136",NA,"PDBC47674","685844","Present"
-"NSC685867","","","","","","","","","","","","","","","","","","","","NSC685867","","CC1(C2CCC1(C(C2)OC(=O)NNC(=O)OC3CC4CCC3(C4(C)C)C)C)C","SOPRACJRDQEDIX-BRFQXZCDSA-N","389561",NA,"PDBC47675","685867","Present"
-"NSC685956","","","","","","","","","","","","","","","","","","","","NSC685956","","C(CCNC(=O)C(F)(F)F)CNCCCNC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O","QWYVTEFNXZZDQI-UHFFFAOYSA-N","389608",NA,"PDBC47676","685956","Present"
-"NSC685973","","","","","","","","","","","","","","","","","","","","NSC685973","","C1=CC=C2C=C(C=CC2=C1)CN(CCCCN)CCCN.C(=O)(C(F)(F)F)O","LXXWVDKDKCKPHP-UHFFFAOYSA-N","389627",NA,"PDBC47677","685973","Present"
-"NSC685976","","","","","","","","","","","","","","","","","","","","NSC685976","","C1=CC=C(C=C1)CN(CCCCN(CCCN)CC2=CC=CC=C2)CCCN.C(=O)(C(F)(F)F)O","YDLMTXOKBYKTOJ-UHFFFAOYSA-N","389631",NA,"PDBC47678","685976","Present"
-"NSC686135","","","","","","","","","","","","","","","","","","","","NSC686135","","CN1CCC(=CC1)OP(=O)(NCC2=CC=CC=C2)N(CCCl)CCCl.C(=O)(C(=O)O)O","BDNFMCAGEHKCTM-UHFFFAOYSA-N","389679",NA,"PDBC47679","686135","Present"
-"NSC686318","","","","","","","","","","","","","","","","","","","","NSC686318","","COC1=C(C(=C2C(=C1)C3C(C2=O)OC(=O)N3)OC)OC","OLAIFAPQHDDQQI-UFBFGSQYSA-N","389726",NA,"PDBC47680","686318","Present"
-"NSC686322","","","","","","","","","","","","","","","","","","","","NSC686322","","COC1=C(C(=C2C(=O)CC(C2=C1)N)OC)OC.Cl","GGBRTELOGBIPEL-UHFFFAOYSA-N","389730",NA,"PDBC47681","686322","Present"
-"NSC686337","","","","","","","","","","","","","","","","","","","","NSC686337","","CC1=CC2=C(C=C1)N=C(N2)CCC(C)C3CCC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C)C)C","JRIXXSPBRNQPKM-SUFINHCTSA-N","389741",NA,"PDBC47682","686337","Present"
-"NSC686345","","","","","","","","","","","","","","","","","","","","NSC686345","","C1CN(CCN1CCO)C(=O)CN2C(=O)CC(C2=O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl","WBKHUTARMYDPQA-UHFFFAOYSA-N","389748",NA,"PDBC47683","686345","Present"
-"NSC686352","","","","","","","","","","","","","","","","","","","","NSC686352","","C1=CN(C(=O)N=C1OC2=C(C(=C(C(=C2F)F)F)F)F)C3C(C(C(O3)CO)O)O","SJYHJXZPLFBDGQ-UHFFFAOYSA-N","389757",NA,"PDBC47684","686352","Present"
-"NSC686357","","","","","","","","","","","","","","","","","","","","NSC686357","","CC1=CC(=NC2=C1C=C(C=C2)OC)NN=CC(=NNC3=NC4=C(C=C(C=C4)OC)C(=C3)C)C","VPNZSDZFAAISSE-ASCTXYMMSA-N","9614509",NA,"PDBC47685","686357","Present"
-"NSC686358","","","","","","","","","","","","","","","","","","","","NSC686358","","CC1=CC(=NC2=C1C=CC(=C2)OC)NN=C(C)C=O","ZSFUCHGLLRJEIP-MHWRWJLKSA-N","5466356",NA,"PDBC47686","686358","Present"
-"NSC686366","","","","","","","","","","","","","","","","","","","","NSC686366","","CC1=CC2=C(CCCOC2C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O)C=C1.[Na+]","JXUOCOAQFMPXFC-WWDQNGNJSA-N","54601460",NA,"PDBC47687","686366","Present"
-"NSC686399","","","","","","","","","","","","","","","","","","","","NSC686399","","CCOC(=O)C=CC1=C(N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)Cl","XANJUKUWOGYJHG-YPKPFQOOSA-N","54608498",NA,"PDBC47688","686399","Present"
-"NSC686423","","","","","","","","","","","","","","","","","","","","NSC686423","","C1=CC=C(C=C1)C=C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C2=CC=CC=C2","PCZOGAZDIREAKS-PTNGSMBKSA-N","5917749",NA,"PDBC47689","686423","Present"
-"NSC686424","","","","","","","","","","","","","","","","","","","","NSC686424","","C1=CC=C(C=C1)C=C(C2NC3=CC=CC=C3C(=O)O2)NC(=O)C4=CC=CC=C4","FARCUHZSYPQOOV-HKWRFOASSA-N","5917761",NA,"PDBC47690","686424","Present"
-"NSC686427","","","","","","","","","","","","","","","","","","","","NSC686427","","C1=CC=C(C=C1)C=C(C2NC(C(=O)O2)CC(=O)O)NC(=O)C3=CC=CC=C3","JSJKWEALTZCBIE-PTNGSMBKSA-N","54608475",NA,"PDBC47691","686427","Present"
-"NSC686428","","","","","","","","","","","","","","","","","","","","NSC686428","","C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3C(=O)O2)NC(=O)C4=CC=CC=C4","JIXGQNSCELFPAM-HKWRFOASSA-N","5917766",NA,"PDBC47692","686428","Present"
-"NSC686429","","","","","","","","","","","","","","","","","","","","NSC686429","","C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C3NC(C(=O)O3)CCC(=O)O","SZUSGTAVUCUOSO-VBKFSLOCSA-N","6519396",NA,"PDBC47693","686429","Present"
-"NSC686430","","","","","","","","","","","","","","","","","","","","NSC686430","","C1=CC=C(C=C1)CN2C=C(N3C2=NC(=C3O)C=C4C=CC=CC4=O)N","PKZQOERXEXKQDK-UVTDQMKNSA-N","135505137",NA,"PDBC47694","686430","Present"
-"NSC686465","","","","","","","","","","","","","","","","","","","","NSC686465","","CC1=NN=C(SC1=NO)N.Cl","JEYORTDKWAHSDL-DCDCITSCSA-N","135505138",NA,"PDBC47695","686465","Present"
-"NSC686470","","","","","","","","","","","","","","","","","","","","NSC686470","","C1=CC=C2C(=C1)C3=NC4=CC=C(C=C4)C5=NC6=C(O5)C=C(C=C6)N=C7C8=CC=CC=C8C(=NC9=CC1=C(C=C9)N=C(O1)C1=CC=C(C=C1)N=C2N3)N7","CFSSBEPQKFNLBU-UHFFFAOYSA-N","135489871",NA,"PDBC47696","686470","Present"
-"NSC686491","","","","","","","","","","","","","","","","","","","","NSC686491","","C1CC(C(=O)C1)CC(CN2CCOCC2)SC3=NN=NN3C4=CC=CC=C4.Cl","QPIORBIQPHPUHX-UHFFFAOYSA-N","389860",NA,"PDBC47697","686491","Present"
-"NSC686495","","","","","","","","","","","","","","","","","","","","NSC686495","","CC1=CC(=NNC(=O)C2=CC=NC=C2)N3C(=N1)SC(=N3)N","LXAYKHDSCCRMFN-SXGWCWSVSA-N","5481670",NA,"PDBC47698","686495","Present"
-"NSC686501","","","","","","","","","","","","","","","","","","","","NSC686501","","CC(CCOCC1=CC=C(C=C1)OC)OC2C(C(C(C(O2)CO[Si](C)(C)C(C)(C)C)OC(=O)CCCN=[N+]=[N-])OC(=O)CCCN=[N+]=[N-])OC(=O)CCCN=[N+]=[N-]","KEMFXFONLNFIMG-YWGGAOTQSA-N","5469341",NA,"PDBC47699","686501","Present"
-"NSC686520","","","","","","","","","","","","","","","","","","","","NSC686520","","CC(C)[Si](C(C)C)(C(C)C)OC1=C(C(=C2C=CC3=C(C2=C1)CCCC3(C)C)O)C(C)CO[Si](C)(C)C(C)(C)C","FGEODQNFRVPTEH-VWLOTQADSA-N","389889",NA,"PDBC47700","686520","Present"
-"NSC686521","","","","","","","","","","","","","","","","","","","","NSC686521","","CC(C)C1=C(C=C2C(=C1O)CCC3C2(CCCC3(C)C)C)O[Si](C(C)C)(C(C)C)C(C)C","OFVONZGMHQSJRV-ABYGYWHVSA-N","389890",NA,"PDBC47701","686521","Present"
-"NSC686548","","","","","","","","","","","","","","","","","","","","NSC686548","","","","",NA,"PDBC47702","686548","Present"
-"NSC686559","","","","","","","","","","","","","","","","","","","","NSC686559","","C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=C(C=C4)C(=O)NCCC5=CC=CC=N5)C=C(C=C2)[N+](=O)[O-])CCl.Cl","GTWZMNBKJZVHCQ-UHFFFAOYSA-N","389905",NA,"PDBC47703","686559","Present"
-"NSC686563","","","","","","","","","","","","","","","","","","","","NSC686563","","C1COS(=O)(=O)C(S(=O)(=O)O1)CCOS(=O)(=O)C(CC2=NC3=CC=CC=C3N2)S(=O)(=O)O.[Na+]","SOBSTLBIDNVEHR-UHFFFAOYSA-N","54608455",NA,"PDBC47704","686563","Present"
-"NSC686570","","","","","","","","","","","","","","","","","","","","NSC686570","","CS(=O)(=O)OC1C(C2=CC=CC=C2C1O)N=[N+]=[N-]","GEXLBEFSQRHXGC-IVZWLZJFSA-N","389918",NA,"PDBC47705","686570","Present"
-"NSC686573","","","","","","","","","","","","","","","","","","","","NSC686573","","C1CSC2(S1)C3CC(C4=CC=CC=C34)C(=C2Br)Br","RHKMQBSXYARXQX-MNOVXSKESA-N","389921",NA,"PDBC47706","686573","Present"
-"NSC686612","","","","","","","","","","","","","","","","","","","","NSC686612","","CN1C(=O)C2=C(NC(C(C(=N2)C3=CC=CC=C3)C(CC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)N=C1OC","QRRSMCPVXLEZGY-KHHFXIDFSA-N","6331525",NA,"PDBC47707","686612","Present"
-"NSC686613","","","","","","","","","","","","","","","","","","","","NSC686613","","CN1C(=O)C2=C(NC(C(C(=N2)C3=CC=CC=C3)C(CC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)N=C1SC","LFPQQDRLZUFZET-KHHFXIDFSA-N","6331526",NA,"PDBC47708","686613","Present"
-"NSC686614","","","","","","","","","","","","","","","","","","","","NSC686614","","CN1C(=O)C2=C(NC(C(C(=N2)C3=CC=C(C=C3)OC)C(CC(=O)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C6=CC=CC=C6)N=C1SC","KECRSOSOCIOLJU-IYBDJRMXSA-N","6331527",NA,"PDBC47709","686614","Present"
-"NSC686653","","","","","","","","","","","","","","","","","","","","NSC686653","","COC1=CC=C(C=C1)N2C(=O)C(=NN2)C(=O)N.[Na+]","FGUSARCCXKNQOL-UHFFFAOYSA-N","54608689",NA,"PDBC47710","686653","Present"
-"NSC686656","","","","","","","","","","","","","","","","","","","","NSC686656","","C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NNN(C2=O)C3=CC(=CC=C3)[N+](=O)[O-].[Na+]","VGUOKFYDIWFLTE-UHFFFAOYSA-N","54608532",NA,"PDBC47711","686656","Present"
-"NSC686922","","","","","","","","","","","","","","","","","","","","NSC686922","","COC1=CC2=C(C=C1)C3C4=CC=CC=C4CCCN3CC2.Cl","QRYNMABWKQKKLM-UHFFFAOYSA-N","389998",NA,"PDBC47712","686922","Present"
-"NSC686932","","","","","","","","","","","","","","","","","","","","NSC686932","","COC1=C(C=C2C(=C1)CCN=C2CC3=CC=CC=C3CCCl)OC.Cl","SYEWOAPGKJNNHR-UHFFFAOYSA-N","390009",NA,"PDBC47713","686932","Present"
-"NSC686933","","","","","","","","","","","","","","","","","","","","NSC686933","","COC1=CC2=C(C=C1)C(=NCC2)CC3=CC=CC=C3CCCl.Cl","QBXRAZRCIRVAOY-UHFFFAOYSA-N","390011",NA,"PDBC47714","686933","Present"
-"NSC686934","","","","","","","","","","","","","","","","","","","","NSC686934","","C1CN=C(C2=CC=CC=C21)CC3=CC=CC=C3CCCl.Cl","QNJQUHFKHWWQDN-UHFFFAOYSA-N","390013",NA,"PDBC47715","686934","Present"
-"NSC686936","","","","","","","","","","","","","","","","","","","","NSC686936","","COC1=CC(=C(C=C1)CCCCl)C2=NCCC3=CC(=C(C=C32)OC)OC.Cl","JQIQYAYSIPETLM-UHFFFAOYSA-N","390016",NA,"PDBC47716","686936","Present"
-"NSC686937","","","","","","","","","","","","","","","","","","","","NSC686937","","COC1=CC(=C(C=C1)CCCCl)C2=NCCC3=CC=CC=C32.Cl","CHSORSIPRZDZLC-UHFFFAOYSA-N","390018",NA,"PDBC47717","686937","Present"
-"NSC686938","","","","","","","","","","","","","","","","","","","","NSC686938","","COC1=C(C=C2C(=C1)CCN=C2C3=CC=CC=C3CCCCl)OC.Cl","MCDZGCMANABZES-UHFFFAOYSA-N","390020",NA,"PDBC47718","686938","Present"
-"NSC686939","","","","","","","","","","","","","","","","","","","","NSC686939","","COC1=CC2=C(C=C1)C(=NCC2)C3=CC=CC=C3CCCCl.Cl","IFNRZTFHDAHUDC-UHFFFAOYSA-N","390022",NA,"PDBC47719","686939","Present"
-"NSC686940","","","","","","","","","","","","","","","","","","","","NSC686940","","C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3CCCCl.Cl","PFGOVZLHIAVTIF-UHFFFAOYSA-N","390024",NA,"PDBC47720","686940","Present"
-"NSC686943","","","","","","","","","","","","","","","","","","","","NSC686943","","COC1=C(C=C(C=C1)CCNC(=O)C2CCCCC2CCO)OC","BEEOWOKEWGEIJO-CVEARBPZSA-N","390028",NA,"PDBC47721","686943","Present"
-"NSC686944","","","","","","","","","","","","","","","","","","","","NSC686944","","C1CCC(C(C1)CCO)C(=O)NCCC2=CC=CC=C2","SNNRJVVVYCOTCE-CVEARBPZSA-N","390029",NA,"PDBC47722","686944","Present"
-"NSC686947","","","","","","","","","","","","","","","","","","","","NSC686947","","COC1=C(C=C(C=C1)CCN=C2C3=CC=CC=C3CO2)OC.Cl","GVAKFRHJKMWCNB-UHFFFAOYSA-N","390032",NA,"PDBC47723","686947","Present"
-"NSC686961","","","","","","","","","","","","","","","","","","","","NSC686961","","C1C(NCC(N1)CC2=CC(=C(C=C2)O)Br)CC3=CC=C(C=C3)O.Br","OQXHEJCHECQPGU-CTHHTMFSSA-N","390046",NA,"PDBC47724","686961","Present"
-"NSC687002","","","","","","","","","","","","","","","","","","","","NSC687002","","C1CCN(CC1)CC2CCCC(=CC3=CC=C(C=C3)O)C2=O.Cl","PJPOWFBKQQNGKD-ZUQRMPMESA-N","5469353",NA,"PDBC47725","687002","Present"
-"NSC687003","","","","","","","","","","","","","","","","","","","","NSC687003","","C1CCN(CC1)CC2=C(C=CC(=C2)C=C3CCCC(=CC4=CC=C(C=C4)Cl)C3=O)O","VGGDXIXJVYYRAS-YHARCJFQSA-N","5469355",NA,"PDBC47726","687003","Present"
-"NSC687004","","","","","","","","","","","","","","","","","","","","NSC687004","","C1CCN(CC1)CC2=C(C=CC(=C2)C=C3CCCC(=CC4=CC=CC=C4)C3=O)O","KQXDRRPPRVKAFE-LKNRODPVSA-N","5469356",NA,"PDBC47727","687004","Present"
-"NSC687005","","","","","","","","","","","","","","","","","","","","NSC687005","","CC1=CC=C(C=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)CN4CCCCC4)C2=O","OLMOKVKLMNWDCR-WPHIWBHXSA-N","5469357",NA,"PDBC47728","687005","Present"
-"NSC687006","","","","","","","","","","","","","","","","","","","","NSC687006","","COC1=CC=C(C=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)CN4CCCCC4)C2=O","ODVBNZXSNJGYDV-LKNRODPVSA-N","5469358",NA,"PDBC47729","687006","Present"
-"NSC687022","","","","","","","","","","","","","","","","","","","","NSC687022","","CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)C)CC(=O)OC)OC(=O)C","PCQHTOFBKOOUGO-UHFFFAOYSA-N","390079",NA,"PDBC47730","687022","Present"
-"NSC687027","","","","","","","","","","","","","","","","","","","","NSC687027","","B(O)(O)O.CNC(=O)N1C(C(N1)C2=CC=CC=C2)C3=CC=CC=C3","QFGRXAXCTFEVQA-LIOBNPLQSA-N","390083",NA,"PDBC47731","687027","Present"
-"NSC687029","","","","","","","","","","","","","","","","","","","","NSC687029","","C1=CC=C(C=C1)C2C([N+](=O)N2[O-])C3=CC=CC=C3","LDRQOYYTPNOGKX-OKILXGFUSA-N","390086",NA,"PDBC47732","687029","Present"
-"NSC687033","","","","","","","","","","","","","","","","","","","","NSC687033","","CN1C(=O)N2C(C(N2C1=O)C3=CC=CC=C3)C4=CC=CC=C4","WMWNQDILOCGLON-GASCZTMLSA-N","390090",NA,"PDBC47733","687033","Present"
-"NSC687218","","","","","","","","","","","","","","","","","","","","NSC687218","","CCOC(=O)NN=C(CC1=CC=C(C=C1)Cl)N","UITRHEIFIHKHMM-UHFFFAOYSA-N","5466377",NA,"PDBC47734","687218","Present"
-"NSC687318","","","","","","","","","","","","","","","","","","","","NSC687318","","C1CS(=O)(=O)C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)N1CC3=CC=CC=C3","CYKAECQSHRIKEK-FBMGVBCBSA-N","5915853",NA,"PDBC47735","687318","Present"
-"NSC687319","","","","","","","","","","","","","","","","","","","","NSC687319","","CC1=CC=C(C=C1)S(=O)(=O)N=C2N(CCCS2(=O)=O)C","SZZUIAKVELVFKO-SEYXRHQNSA-N","5874337",NA,"PDBC47736","687319","Present"
-"NSC687321","","","","","","","","","","","","","","","","","","","","NSC687321","","CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=NO)C1)C5=CC=C(C=C5)Cl)C","DJZIQNCBCYLQKY-HFTWOUSFSA-N","5480886",NA,"PDBC47737","687321","Present"
-"NSC687327","","","","","","","","","","","","","","","","","","","","NSC687327","","CC1=CC(=C(C(=C1)C)P2C(=C(C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)C2(C3=CC=CC=C3)C4=CC=CC=C4)C","JKIZFOYAYZIYPM-KNWKATPGSA-N","5469384",NA,"PDBC47738","687327","Present"
-"NSC687354","","","","","","","","","","","","","","","","","","","","NSC687354","","CC(=O)OCC1C(C(C(C(O1)OC2C=CC(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C","GFIMWEJQHUYXDX-OJCNOXOOSA-N","390193",NA,"PDBC47739","687354","Present"
-"NSC687355","","","","","","","","","","","","","","","","","","","","NSC687355","","CC(=O)OCC1C(C(C(C(O1)OC2C=CC(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C","SNWNYYPRIJMZIH-XAIJXGJMSA-N","390194",NA,"PDBC47740","687355","Present"
-"NSC687543","","","","","","","","","","","","","","","","","","","","NSC687543","","C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CO","BJSRJSIBEOXZBR-ATIYNZHBSA-N","390251",NA,"PDBC47741","687543","Present"
-"NSC687544","","","","","","","","","","","","","","","","","","","","NSC687544","","C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C=O","LIRKLXABCCGOPK-ATIYNZHBSA-N","390252",NA,"PDBC47742","687544","Present"
-"NSC687545","","","","","","","","","","","","","","","","","","","","NSC687545","","CC(C)(C)OC(=O)C1CCC(N1)CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]","RCQUUXVBNIQQBU-ZSOXZCCMSA-N","390253",NA,"PDBC47743","687545","Present"
-"NSC687549","","","","","","","","","","","","","","","","","","","","NSC687549","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC(=C(C)O)C(=O)C","IEEAJKLNEMBALV-ZSXGPIJXSA-N","135505142",NA,"PDBC47744","687549","Present"
-"NSC687551","","","","","","","","","","","","","","","","","","","","NSC687551","","CCOC(=O)C(=C(C)O)C=NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C","GURXLZPOYIDYPM-MZUKECFHSA-N","135505143",NA,"PDBC47745","687551","Present"
-"NSC687609","","","","","","","","","","","","","","","","","","","","NSC687609","","CC1=C(C(=O)N(N1C)C)N=CC(=C(C2=CC=CC=C2)O)C(=O)C","QTOHVCJHLZCBKA-ZKKICTKCSA-N","135442874",NA,"PDBC47746","687609","Present"
-"NSC687612","","","","","","","","","","","","","","","","","","","","NSC687612","","CCOC(=O)C(=C(C1=CC=CC=C1)O)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C","YWARQKQWMMTPMB-SXCYSVFYSA-N","135442875",NA,"PDBC47747","687612","Present"
-"NSC687665","","","","","","","","","","","","","","","","","","","","NSC687665","","C1CC(=CC2=CC(=CC=C2)Br)C(=O)C3=CC=CC=C31","RXQZJBJGVUPGNK-GXDHUFHOSA-N","1811469",NA,"PDBC47748","687665","Present"
-"NSC687830","","","","","","","","","","","","","","","","","","","","NSC687830","","CCOP(=O)(C(=CC1=CC=CS1)CC(=O)C)OCC","RQQLCFCIIBYIMJ-ZRDIBKRKSA-N","5469421",NA,"PDBC47749","687830","Present"
-"NSC687853","","","","","","","","","","","","","","","","","","","","NSC687853","","CN(C)C1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)N(C)C)C2=O)C(=O)C=C","KIJSWTZBZRWQNK-YHARCJFQSA-N","5469429",NA,"PDBC47750","687853","Present"
-"NSC687854","","","","","","","","","","","","","","","","","","","","NSC687854","","COC1=CC=C(C=C1)C=CC(=O)CCN2CCN(CC2)CCC(=O)C=CC3=CC=C(C=C3)OC.Cl","IHEKOYIOKVJRSX-RUACYTINSA-N","6519463",NA,"PDBC47751","687854","Present"
-"NSC687855","","","","","","","","","","","","","","","","","","","","NSC687855","","C1CN(CCN1CCC(=O)C=CC2=CC(=C(C=C2)Cl)Cl)CCC(=O)C=CC3=CC(=C(C=C3)Cl)Cl.Cl","LPOGEEAJBOBUEH-BFDFJXGRSA-N","6519464",NA,"PDBC47752","687855","Present"
-"NSC688021","","","","","","","","","","","","","","","","","","","","NSC688021","","C1=C(SC(=C1)[N+](=O)[O-])COP(=O)(N)N(CCBr)CCBr","LZKGFJPERKWSAN-UHFFFAOYSA-N","390534",NA,"PDBC47753","688021","Present"
-"NSC688026","","","","","","","","","","","","","","","","","","","","NSC688026","","CCN1CCC(C(C1)C(=O)C=CC2=CC=CC(=C2)C)(C=CC3=CC=CC(=C3)C)O.Cl","FLIZHTFPWAKFSF-YMSVKFOGSA-N","5469434",NA,"PDBC47754","688026","Present"
-"NSC688304","","","","","","","","","","","","","","","","","","","","NSC688304","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NCCN)CCl)OC)OC.Cl","GPJJMBYWWDVUOK-UHFFFAOYSA-N","390672",NA,"PDBC47755","688304","Present"
-"NSC688307","","","","","","","","","","","","","","","","","","","","NSC688307","","CCC1(C2=C(COC1=O)C(=O)N(C(=C2)I)CC#C)O","BMUJHRFJDYDWFP-ZDUSSCGKSA-N","390675",NA,"PDBC47756","688307","Present"
-"NSC688308","","","","","","","","","","","","","","","","","","","","NSC688308","","CC1=C(N=C(O1)C2CCCN2C(=O)C(C(C)C)NC(C)(C)C=C)C3=NC(=C(O3)C)C(=O)OCC=C(C)C","PFXJYHPNSWNJBP-LEWJYISDSA-N","390676",NA,"PDBC47757","688308","Present"
-"NSC688316","","","","","","","","","","","","","","","","","","","","NSC688316","","C[N+]12CCCCC1C(CCC2)CN3C(=O)CC4=C5C=CC=CC5=C(CC3=O)C6=CC=CC=C46.[I-]","JZAFGGNJIUPTCL-UHFFFAOYSA-M","390680",NA,"PDBC47758","688316","Present"
-"NSC688318","","","","","","","","","","","","","","","","","","","","NSC688318","","CC(C)(C)C(=O)OCC1CCC[N+]2(C1CCCC2)C.[I-]","SYIHNXHGBRRHII-UHFFFAOYSA-M","390683",NA,"PDBC47759","688318","Present"
-"NSC688325","","","","","","","","","","","","","","","","","","","","NSC688325","","CC1=CC(=NC(=N1)Cl)C(C#N)C2=NC3=CC=CC=C3S2","VZMUTBNJGOPPJS-VIFPVBQESA-N","390693",NA,"PDBC47760","688325","Present"
-"NSC688326","","","","","","","","","","","","","","","","","","","","NSC688326","","CC1=CC(=NC(=N1)Cl)C(C#N)C2=NC3=CC=CC=C3N2","RLKCOYYZVSIAOW-VIFPVBQESA-N","390694",NA,"PDBC47761","688326","Present"
-"NSC688327","","","","","","","","","","","","","","","","","","","","NSC688327","","C1=CC=C2C(=C1)N=C(C(=N2)Cl)C(C#N)C3=CC=CC=N3","RZAWNTXNYFPVOW-SNVBAGLBSA-N","390695",NA,"PDBC47762","688327","Present"
-"NSC688328","","","","","","","","","","","","","","","","","","","","NSC688328","","C1=CC=C2C(=C1)N=C(C(=N2)Cl)C(C#N)C3=NC4=CC=CC=C4S3","GXLORHXTBUWYQG-JTQLQIEISA-N","5469453",NA,"PDBC47763","688328","Present"
-"NSC688329","","","","","","","","","","","","","","","","","","","","NSC688329","","C1=CC=C2C(=C1)NC(=N2)C(C#N)C3=NC4=CC=CC=C4N=C3Cl","CONGDXLVGSDCKY-JTQLQIEISA-N","5469454",NA,"PDBC47764","688329","Present"
-"NSC688339","","","","","","","","","","","","","","","","","","","","NSC688339","","CC1(C(=CC2=CC=CC=C2)C(=O)C(C1(C)C)(C)C)C","ZBVPFWWTNCRLCP-OWBHPGMISA-N","5469455",NA,"PDBC47765","688339","Present"
-"NSC688347","","","","","","","","","","","","","","","","","","","","NSC688347","","CC(C)C(C(=O)OC)NC(=O)N(CCCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)CCC#N","HPZIGWYQZPOXFB-FTJBHMTQSA-N","54608524",NA,"PDBC47766","688347","Present"
-"NSC688350","","","","","","","","","","","","","","","","","","","","NSC688350","","CC(C)C(C(=O)OC)NC(=O)N(CCC#N)CCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC","RUVUGLDZJLSRCP-DQEYMECFSA-N","54612620",NA,"PDBC47767","688350","Present"
-"NSC688351","","","","","","","","","","","","","","","","","","","","NSC688351","","COC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC","QJOYQYIYCHPHIA-VMPREFPWSA-N","54608523",NA,"PDBC47768","688351","Present"
-"NSC688356","","","","","","","","","","","","","","","","","","","","NSC688356","","C1CCC(C(C1)N(CCC#N)C(=O)NC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4","FDPYBDJKRUOUBG-SVBPBHIXSA-N","390714",NA,"PDBC47769","688356","Present"
-"NSC688357","","","","","","","","","","","","","","","","","","","","NSC688357","","CNC(=O)N(CCC#N)C1CCCCC1N(C2=CC=CC=C2)C(=O)NC","XVMIAEAEJBPPNQ-IRXDYDNUSA-N","390715",NA,"PDBC47770","688357","Present"
-"NSC688360","","","","","","","","","","","","","","","","","","","","NSC688360","","CCC(C)C(C(=O)OC)NC(=O)N(CCC#N)CCN(CCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)C(=O)NC(C(C)C)C(=O)OC","HUWGDLMTXXXORX-XGKFQTDJSA-N","390718",NA,"PDBC47771","688360","Present"
-"NSC688363","","","","","","","","","","","","","","","","","","","","NSC688363","","CC(C)CC(C(=O)NC)NC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCN(CCC#N)C(=O)NC2=CC(=C(C=C2)OC)C(=O)NC)C3=CC=CC=C3","OQUMRBRDOVMCKD-ACHIHNKUSA-N","390721",NA,"PDBC47772","688363","Present"
-"NSC688364","","","","","","","","","","","","","","","","","","","","NSC688364","","CCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC","KDYPQVKSSPYDSD-VXKWHMMOSA-N","390722",NA,"PDBC47773","688364","Present"
-"NSC688365","","","","","","","","","","","","","","","","","","","","NSC688365","","CCOC(=O)C1=C(C=CC(=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)NC)OC","BPYBIGICYNZRBK-LQJZCPKCSA-N","390723",NA,"PDBC47774","688365","Present"
-"NSC688366","","","","","","","","","","","","","","","","","","","","NSC688366","","CCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)OC","VAAUOUWBAOPGLI-VXKWHMMOSA-N","390724",NA,"PDBC47775","688366","Present"
-"NSC688368","","","","","","","","","","","","","","","","","","","","NSC688368","","CCN(C1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)OC","WTKXRLDGHLPYPQ-LPHOPBHVSA-N","390726",NA,"PDBC47776","688368","Present"
-"NSC688370","","","","","","","","","","","","","","","","","","","","NSC688370","","CCC(C)C(C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)N(CC)C2=CC=CC=C2","SRTQNKITDWCMKM-ZYDVDNKGSA-N","390728",NA,"PDBC47777","688370","Present"
-"NSC688371","","","","","","","","","","","","","","","","","","","","NSC688371","","CCN(C1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(CSC)C(=O)NC(C)C(=O)OC","MYMIINJKDWHNDA-SZMVWBNQSA-N","5469458",NA,"PDBC47778","688371","Present"
-"NSC688373","","","","","","","","","","","","","","","","","","","","NSC688373","","CCN(C1=CC=CC=C1)C(=S)NC(C(C)C)C(=O)NC(C)C(=O)OC","UOYNUNNNFCFQAW-ZFWWWQNUSA-N","5469460",NA,"PDBC47779","688373","Present"
-"NSC688374","","","","","","","","","","","","","","","","","","","","NSC688374","","CC(C)C1C(=O)N(C(=O)N1)C(C)C(=O)OC","XKVJNEUKUAITRK-BQBZGAKWSA-N","390732",NA,"PDBC47780","688374","Present"
-"NSC688375","","","","","","","","","","","","","","","","","","","","NSC688375","","CC(C)C1C(=O)N(C(=O)N1)C(CSC)C(=O)NC(C)C(=O)OC","IRBVWHJSEQXIGZ-GUBZILKMSA-N","5469461",NA,"PDBC47781","688375","Present"
-"NSC688484","","","","","","","","","","","","","","","","","","","","NSC688484","","","","",NA,"PDBC47782","688484","Present"
-"NSC688540","","","","","","","","","","","","","","","","","","","","NSC688540","","CC1=CC(=C(C=C1C)SC2=CC(=O)NC(=O)N2)NCC(C(C(CO)O)O)O","MIPPJSHWDMIZCA-OZVIIMIRSA-N","390775",NA,"PDBC47783","688540","Present"
-"NSC688713","","","","","","","","","","","","","","","","","","","","NSC688713","","CC1CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4OC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C)C","OVYKLSABRZTPLV-SDPUNOITSA-N","390779",NA,"PDBC47784","688713","Present"
-"NSC688714","","","","","","","","","","","","","","","","","","","","NSC688714","","CC12CCC3C(C1CCC2OC(=O)C4=CC=CC5=C4NC6=CC=CC=C6C5=O)CCC7=C3C=CC(=C7)OC(=O)C8=CC=CC=C8","AABFBZYCIQMNMX-WLHASUIJSA-N","390780",NA,"PDBC47785","688714","Present"
-"NSC688715","","","","","","","","","","","","","","","","","","","","NSC688715","","CC1C=C2C3CC(CCC3(CCC2(C4(C1C5(CCC(C(C5CC4)(C)C)OC(=O)C6=CC=CC7=C6NC8=CC=CC=C8C7=O)C)C)C)C)(C)C(=O)O","MECZBSNJMGVBQV-BDLODYOHSA-N","390781",NA,"PDBC47786","688715","Present"
-"NSC688718","","","","","","","","","","","","","","","","","","","","NSC688718","","CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34","JBTTXLNSLWIBNW-QMJDLBCDSA-N","9572014",NA,"PDBC47787","688718","Present"
-"NSC688812","","","","","","","","","","","","","","","","","","","","NSC688812","","CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)OCC","KHNIBIUBGXNNDL-NRFANRHFSA-N","10507857",NA,"PDBC47788","688812","Present"
-"NSC688879","","","","","","","","","","","","","","","","","","","","NSC688879","","C1CCC2(CC1)OCC(O2)C=NO","RRCPKWVNQQFNGR-QMEHYBMDSA-N","9572015",NA,"PDBC47789","688879","Present"
-"NSC688880","","","","","","","","","","","","","","","","","","","","NSC688880","","CC1(OCC(O1)C(C(CC=C)NCC2=CC=CC=C2)OCC3=CC=CC=C3)C","AJYUOGLVQOWCNI-KXNJDZORSA-N","390822",NA,"PDBC47790","688880","Present"
-"NSC688881","","","","","","","","","","","","","","","","","","","","NSC688881","","C1=CC=C(C=C1)CNC(C2=CC=CS2)C(C(CO)O)OCC3=CC=CC=C3","PTFOSRABPFBHNK-KSEOMHKRSA-N","390823",NA,"PDBC47791","688881","Present"
-"NSC688882","","","","","","","","","","","","","","","","","","","","NSC688882","","CC(=O)OCC(=O)OCC(C1C(C(=O)N1CC2=CC=CC=C2)OC(=O)C)OCC3=CC=CC=C3","FLZKJHCVSOKFGO-QTJGBDASSA-N","390824",NA,"PDBC47792","688882","Present"
-"NSC688883","","","","","","","","","","","","","","","","","","","","NSC688883","","CC(C1=CC=CC=C1)N2C(C(C2=O)OCC3=CC=CC=C3)C(COC(=O)COCC4=CC=CC=C4)OCC5=CC=CC=C5","SSTJFGXHGQXFOL-DDWFXKBOSA-N","390825",NA,"PDBC47793","688883","Present"
-"NSC688884","","","","","","","","","","","","","","","","","","","","NSC688884","","CC(C1=CC=CC=C1)N2C(C(C2=O)O)C(CO)OCC3=CC=CC=C3","OKJBLVRSSTUJEE-FDPIWHGQSA-N","390826",NA,"PDBC47794","688884","Present"
-"NSC688887","","","","","","","","","","","","","","","","","","","","NSC688887","","C=CC1C(OC(=O)O1)CO","YAGSRLHRUHYMRM-WHFBIAKZSA-N","390829",NA,"PDBC47795","688887","Present"
-"NSC688889","","","","","","","","","","","","","","","","","","","","NSC688889","","CCOC(=O)C1C(OC(O1)C2=CC=CC=C2)C(=O)OCC","BAMBLLDJYZVARV-VXGBXAGGSA-N","390831",NA,"PDBC47796","688889","Present"
-"NSC688891","","","","","","","","","","","","","","","","","","","","NSC688891","","CCC(C)C(C(C1COC(O1)(C)C)OCC2=CC=CC=C2)NCC3=CC=CC=C3","LEQOOENKVQOAPZ-CDHIZQGESA-N","390833",NA,"PDBC47797","688891","Present"
-"NSC688892","","","","","","","","","","","","","","","","","","","","NSC688892","","CC1C(COC(=O)N1CC2=CC=CC=C2)OCC3=CC=CC=C3","OHLOLCSBCYGKMN-PKHIMPSTSA-N","390834",NA,"PDBC47798","688892","Present"
-"NSC688893","","","","","","","","","","","","","","","","","","","","NSC688893","","CC(C)CC1C(COS(=O)N1CC2=CC=CC=C2)OCC3=CC=CC=C3","UPNNHCINTOBUBN-WRDKKKNXSA-N","390835",NA,"PDBC47799","688893","Present"
-"NSC688894","","","","","","","","","","","","","","","","","","","","NSC688894","","CC(C)CC1C(COS(=O)(=O)N1CC2=CC=CC=C2)OCC3=CC=CC=C3","ZAXRNHPEEGDYQG-LBAQZLPGSA-N","390836",NA,"PDBC47800","688894","Present"
-"NSC688895","","","","","","","","","","","","","","","","","","","","NSC688895","","CC(C)CC1C(COS(=O)(=O)N1C(C)C2=CC=CC=C2)OCC3=CC=CC=C3","MTQJMWTYIRKCLO-COPCDDAFSA-N","390837",NA,"PDBC47801","688895","Present"
-"NSC688896","","","","","","","","","","","","","","","","","","","","NSC688896","","CCOC(C(C(C(C1COC(O1)(C)C)O)O)N)OCC","ZWVGYNRKLYPVBU-CHWFTXMASA-N","390838",NA,"PDBC47802","688896","Present"
-"NSC688995","","","","","","","","","","","","","","","","","","","","NSC688995","","CCCCCCCCCCCCCCCCOCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O[P+](=S)OC","PVSDMORFTDRLRS-LHEWISCISA-N","6331540",NA,"PDBC47803","688995","Present"
-"NSC688996","","","","","","","","","","","","","","","","","","","","NSC688996","","CCCCCCCCCCCCCCCCOCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O[P+](=S)OC","PVSDMORFTDRLRS-KXQOOQHDSA-N","6331541",NA,"PDBC47804","688996","Present"
-"NSC688999","","","","","","","","","","","","","","","","","","","","NSC688999","","COC(=O)C1=CC2=C(O1)SC3=CC=CC=C3C2=NO","SZEUKOICNNQFMF-SDNWHVSQSA-N","5466408",NA,"PDBC47805","688999","Present"
-"NSC689132","","","","","","","","","","","","","","","","","","","","NSC689132","","COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)OC)C7=CC=CC=C7","DEXLCGGYIACTEW-UHFFFAOYSA-N","390911",NA,"PDBC47806","689132","Present"
-"NSC689133","","","","","","","","","","","","","","","","","","","","NSC689133","","COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)OCC7=CC=CC=C7)C8=CC=CC=C8","CSQGVWKJGSRMAL-UHFFFAOYSA-N","390912",NA,"PDBC47807","689133","Present"
-"NSC689138","","","","","","","","","","","","","","","","","","","","NSC689138","","CC(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OCC6=CC=CC=C6)C(=O)N(C3=O)C7=CC=C(C=C7)OC","IJWCSICEPZKPQX-UHFFFAOYSA-N","390917",NA,"PDBC47808","689138","Present"
-"NSC689140","","","","","","","","","","","","","","","","","","","","NSC689140","","CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C7=CC=CC=C7","OGDCFWZASLYBBX-UHFFFAOYSA-N","390919",NA,"PDBC47809","689140","Present"
-"NSC689184","","","","","","","","","","","","","","","","","","","","NSC689184","","C1=CC=C(C=C1)C(=O)OCC2C(C=C(C(=O)O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4","NNTHQODOUBDQCG-JTHBVZDNSA-N","390931",NA,"PDBC47810","689184","Present"
-"NSC689186","","","","","","","","","","","","","","","","","","","","NSC689186","","CC1(OC2C(O1)C(OC2C(=O)C3=CC=CC=C3)OC)C","OELMXJMZROUTBR-AAVRWANBSA-N","390933",NA,"PDBC47811","689186","Present"
-"NSC689190","","","","","","","","","","","","","","","","","","","","NSC689190","","CC1(OC2C(C3CC(=O)OC3C2O1)COCC4=CC=CC=C4)C","FLLOKKMBYPSPDB-LYHPXFHOSA-N","390937",NA,"PDBC47812","689190","Present"
-"NSC689191","","","","","","","","","","","","","","","","","","","","NSC689191","","CC1(OCC(O1)CC(COCC2=CC=CC=C2)O)C","XVNMLTFHQJRHLY-UONOGXRCSA-N","390938",NA,"PDBC47813","689191","Present"
-"NSC689192","","","","","","","","","","","","","","","","","","","","NSC689192","","CC1(C2CCC1(C(=O)C2C(C3CCCCC3)O)C)C","RJRVGVXDEQQSDR-OFNHWJQESA-N","390939",NA,"PDBC47814","689192","Present"
-"NSC689196","","","","","","","","","","","","","","","","","","","","NSC689196","","CC1(OCC(O1)CC(COCC2=CC=CC=C2)OC3=CC=C(C=C3)OC)C","RCNXPBMLVWXRKW-LEWJYISDSA-N","390943",NA,"PDBC47815","689196","Present"
-"NSC689199","","","","","","","","","","","","","","","","","","","","NSC689199","","CC1(OCC(O1)CC(CO)OC2=CC=C(C=C2)OC)C","YNUIFTRHQBPRSN-UONOGXRCSA-N","390946",NA,"PDBC47816","689199","Present"
-"NSC689200","","","","","","","","","","","","","","","","","","","","NSC689200","","CC1CCC(CC1(C2CC(OC2=O)C(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)C(=C)C","GJFVKAODBIZAMN-VVQPPZLUSA-N","390947",NA,"PDBC47817","689200","Present"
-"NSC689201","","","","","","","","","","","","","","","","","","","","NSC689201","","CC(CCC1=CC=CC=C1)(C(C2CCC(C2(COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)C(=O)OC)O","HKNMRDSBCNXGGR-ZVUIRENXSA-N","390948",NA,"PDBC47818","689201","Present"
-"NSC689213","","","","","","","","","","","","","","","","","","","","NSC689213","","COC(=O)C=CCOCC1C2C1C(=O)CC2","VLNKEZYMKJSLPJ-IHWYPQMZSA-N","5469498",NA,"PDBC47819","689213","Present"
-"NSC689215","","","","","","","","","","","","","","","","","","","","NSC689215","","COC(=O)C12CCCC(=O)C1C3C2CCCC3","HMHHOJUUTHCEJI-HEQLZXTPSA-N","390962",NA,"PDBC47820","689215","Present"
-"NSC689216","","","","","","","","","","","","","","","","","","","","NSC689216","","C1CC2C(C1)C3(C2C(=O)CCC3)C#N","ODLMURDULMFUSB-BSJXLVFVSA-N","390963",NA,"PDBC47821","689216","Present"
-"NSC689217","","","","","","","","","","","","","","","","","","","","NSC689217","","COC(=O)C12CCCC(=O)C1C3C2CCC3","SXJXNFNWTNHFFG-IZWKTGJZSA-N","390964",NA,"PDBC47822","689217","Present"
-"NSC689220","","","","","","","","","","","","","","","","","","","","NSC689220","","CCCCC(C)(CC=CC1C(CC(=O)C1C(CCCCCC(=O)OC)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C","CDLLQQUCUNYKKE-BEWXUERZSA-N","5469501",NA,"PDBC47823","689220","Present"
-"NSC689224","","","","","","","","","","","","","","","","","","","","NSC689224","","CCCCCC(C=CC1C(CC(=O)C1C(CCCCCC(=O)OC)O)O[Si](C)(C)C(C)(C)C)OCOCCOC","TXNZEFWXAGSEPE-OAHITEERSA-N","5469505",NA,"PDBC47824","689224","Present"
-"NSC689225","","","","","","","","","","","","","","","","","","","","NSC689225","","CCCCCC(C1C(C(CC1=O)O[Si](C)(C)C(C)(C)C)C=CCCOCC2=CC=CC=C2)O","IWQUVUIDHNEBRL-DCLLBNFDSA-N","5469506",NA,"PDBC47825","689225","Present"
-"NSC689276","","","","","","","","","","","","","","","","","","","","NSC689276","","C1C(=CC2=CC=C(C=C2)F)C3=C(CO1)C(NC(=S)N3)C4=CC=C(C=C4)F","WVZGCXLOPNABJQ-NTEUORMPSA-N","5469508",NA,"PDBC47826","689276","Present"
-"NSC689278","","","","","","","","","","","","","","","","","","","","NSC689278","","C1C(=CC2=CC=CC=C2Cl)C3=C(CO1)C(NC(=S)N3)C4=CC=CC=C4Cl","UCAMLCAAUWNCMK-UKTHLTGXSA-N","5469510",NA,"PDBC47827","689278","Present"
-"NSC689279","","","","","","","","","","","","","","","","","","","","NSC689279","","C1C(=CC2=CC=C(C=C2)F)C3=C(CO1)C(N4C(=O)CSC4=N3)C5=CC=C(C=C5)F","VJVPBUBRMDUAHH-OQLLNIDSSA-N","5469511",NA,"PDBC47828","689279","Present"
-"NSC689280","","","","","","","","","","","","","","","","","","","","NSC689280","","C1C(=CC2=CC=C(C=C2)Br)C3=C(CO1)C(N4C(=O)CSC4=N3)C5=CC=C(C=C5)Br","IXSBTZITRUKILT-OQLLNIDSSA-N","5469512",NA,"PDBC47829","689280","Present"
-"NSC689283","","","","","","","","","","","","","","","","","","","","NSC689283","","C1C(=CC2=CC=CC=C2Cl)C3=NC(=NC(=C3CO1)C4=CC=CC=C4Cl)N","OCYLMYFNCRTHHP-UKTHLTGXSA-N","5469515",NA,"PDBC47830","689283","Present"
-"NSC689284","","","","","","","","","","","","","","","","","","","","NSC689284","","C1C(=CC2=CC=C(C=C2)F)C3=NC(=O)NC(=C3CO1)C4=CC=C(C=C4)F","QVGUSMUTTOGADR-NTEUORMPSA-N","5469516",NA,"PDBC47831","689284","Present"
-"NSC689286","","","","","","","","","","","","","","","","","","","","NSC689286","","C1C(=CC2=CC(=CC=C2)Cl)C3=NC(=O)NC(=C3CO1)C4=CC(=CC=C4)Cl","SPQVKXWSNDGWKA-VGOFMYFVSA-N","5469518",NA,"PDBC47832","689286","Present"
-"NSC689531","","","","","","","","","","","","","","","","","","","","NSC689531","","C1=CC=C(C=C1)C(=NNC(=S)NCCC2=CC=CC=N2)C3=CC=CC=N3","HCWGGXUHVCIBHX-LYBHJNIJSA-N","9571616",NA,"PDBC47833","689531","Present"
-"NSC689535","","","","","","","","","","","","","","","","","","","","NSC689535","","CC(=NNC(=S)N(C)CCC1=CC=CC=N1)C2=NC=CN=C2","XOBZUWSLRXMZNN-UNOMPAQXSA-N","5481307",NA,"PDBC47834","689535","Present"
-"NSC689538","","","","","","","","","","","","","","","","","","","","NSC689538","","CC(=O)NC1=CC=C(C=C1)C=NNC(=S)NC2=CC=C(C=C2)OC","GLFXYPNFSKVAJD-WQRHYEAKSA-N","5843026",NA,"PDBC47835","689538","Present"
-"NSC689594","","","","","","","","","","","","","","","","","","","","NSC689594","","C1C(C2=C(C1=O)C(=C(S2)Cl)Cl)N.Cl","CWRYOLSQFATAEA-UHFFFAOYSA-N","391053",NA,"PDBC47836","689594","Present"
-"NSC689595","","","","","","","","","","","","","","","","","","","","NSC689595","","C1C(C2=C(C1=O)C(=CS2)Br)N.Cl","VHKANUAGQXRHJP-UHFFFAOYSA-N","391055",NA,"PDBC47837","689595","Present"
-"NSC689596","","","","","","","","","","","","","","","","","","","","NSC689596","","C1C(C2=C(C1=O)C=C(S2)Br)N.Cl","GAWOYLNSAUGNNC-UHFFFAOYSA-N","391057",NA,"PDBC47838","689596","Present"
-"NSC689597","","","","","","","","","","","","","","","","","","","","NSC689597","","C12C(C(=NO)C3=C(SC(=C31)Cl)Cl)OC(=O)N2","JOJCHZLYMZDBFD-QXVXGZDQSA-N","9572016",NA,"PDBC47839","689597","Present"
-"NSC689598","","","","","","","","","","","","","","","","","","","","NSC689598","","CC1=CC2=C(S1)C(CC2=O)N.Cl","QJFYLYMCPPQDPG-UHFFFAOYSA-N","391060",NA,"PDBC47840","689598","Present"
-"NSC689599","","","","","","","","","","","","","","","","","","","","NSC689599","","C1C(C2=C(C1=O)SC(=C2)I)N.Cl","DHAHDFKYQHEISZ-UHFFFAOYSA-N","391062",NA,"PDBC47841","689599","Present"
-"NSC689600","","","","","","","","","","","","","","","","","","","","NSC689600","","C1C(C2=C(SC(=C2C1=O)I)I)N.Cl","CSZDHARYNRQHFA-UHFFFAOYSA-N","391064",NA,"PDBC47842","689600","Present"
-"NSC689601","","","","","","","","","","","","","","","","","","","","NSC689601","","C1C(C2=C(SC=C2C1=O)Br)N.Cl","RWXAUAOLYWHNCJ-UHFFFAOYSA-N","391066",NA,"PDBC47843","689601","Present"
-"NSC689603","","","","","","","","","","","","","","","","","","","","NSC689603","","C12C(C3=C(SC(=C3C1O)Cl)Cl)NC(=O)O2","SGJYEIIBAFYVAY-LMVFSUKVSA-N","5469537",NA,"PDBC47844","689603","Present"
-"NSC689609","","","","","","","","","","","","","","","","","","","","NSC689609","","CCOC(=O)C1C2C3=CC=CC=C3OC1(NC(=O)N2)C","PRBINTYBUYEJNZ-WDMOLILDSA-N","391075",NA,"PDBC47845","689609","Present"
-"NSC689610","","","","","","","","","","","","","","","","","","","","NSC689610","","CC12C(C(C3=CC=CC=C3O1)NC(=S)N2)C(=O)OC","IORKJGJPARDVOZ-CWSCBRNRSA-N","748488",NA,"PDBC47846","689610","Present"
-"NSC689611","","","","","","","","","","","","","","","","","","","","NSC689611","","CC12CC(C3=CC=CC=C3O1)N4CC5=CC=CC=C5CSC4=N2.Br","ZVCIDZHFEPLOIZ-QSVLQNJRSA-N","391077",NA,"PDBC47847","689611","Present"
-"NSC689612","","","","","","","","","","","","","","","","","","","","NSC689612","","CC12CC(C3=CC=CC=C3O1)N4CCSC4=N2.Br","FCHVPBUGFMSOEW-VVBGOIRUSA-N","391079",NA,"PDBC47848","689612","Present"
-"NSC689613","","","","","","","","","","","","","","","","","","","","NSC689613","","CC12CC(C3=CC=CC=C3O1)N4CCCSC4=N2.Br","UDTLWFNJPMMKAP-XCBLFTOQSA-N","391081",NA,"PDBC47849","689613","Present"
-"NSC689614","","","","","","","","","","","","","","","","","","","","NSC689614","","CC12CC(C3=CC=CC=C3O1)N4CCCCSC4=N2.Br","DVESPMBZKVLKMD-NXCSSKFKSA-N","391083",NA,"PDBC47850","689614","Present"
-"NSC689619","","","","","","","","","","","","","","","","","","","","NSC689619","","CCC1C(C(=O)N1C(C)C2=CC=CC=C2)NC(=O)OC","DCKCSFPCQOLPRX-PKSQDBQZSA-N","6712466",NA,"PDBC47851","689619","Present"
-"NSC689620","","","","","","","","","","","","","","","","","","","","NSC689620","","CC(CCC1=NCCN1)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C","OIWWZBNLXIPEMI-GBURMNQMSA-N","391085",NA,"PDBC47852","689620","Present"
-"NSC689621","","","","","","","","","","","","","","","","","","","","NSC689621","","CC(CCC1=NCCN1)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C","DAXBTXDFKFXYMB-BJLOMENOSA-N","391086",NA,"PDBC47853","689621","Present"
-"NSC689622","","","","","","","","","","","","","","","","","","","","NSC689622","","CC(CCC1=NCCN1)C2CCC3C2(C(CC4C3CCC5C4(CCC(C5)O)C)O)C","MDLXDLFCBWIBEG-VAYUFCLWSA-N","391087",NA,"PDBC47854","689622","Present"
-"NSC689715","","","","","","","","","","","","","","","","","","","","NSC689715","","CC1=C(C(C(C2(N1C(CS2)C(=O)O)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC","OUEDJYLVGKMFFG-PEMDQYIBSA-N","391097",NA,"PDBC47855","689715","Present"
-"NSC689716","","","","","","","","","","","","","","","","","","","","NSC689716","","CC1=C(C(C(C2(N1C(CO2)C(=O)O)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC","XAYUVMLLMIQBLD-PEMDQYIBSA-N","391098",NA,"PDBC47856","689716","Present"
-"NSC689731","","","","","","","","","","","","","","","","","","","","NSC689731","","C(#N)C1=C(C(=NC1=C(C#N)C(C#N)C#N)N)C#N.[Na+]","CEUIJBSHWBLMHV-VEZAGKLZSA-N","54608725",NA,"PDBC47857","689731","Present"
-"NSC689736","","","","","","","","","","","","","","","","","","","","NSC689736","","CC1C2=CC(=C3C(=C2O)CN(CO3)C(C)C4CCCCC4)C(C5=CC(=C6C(=C5O)CN(CO6)C(C)C7CCCCC7)C(C8=CC(=C9C(=C8O)CN(CO9)C(C)C2CCCCC2)C(C2=CC1=C1C(=C2O)CN(CO1)C(C)C1CCCCC1)C)C)C","GCZLWHULBKTYAR-JGSZSMOZSA-N","391118",NA,"PDBC47858","689736","Present"
-"NSC689737","","","","","","","","","","","","","","","","","","","","NSC689737","","COC(=O)C12CC(NC1(CSC2)C(=O)OC)C3=CC=CC=C3O","NRVMNSATJPNWOR-HFBAOOFYSA-N","391119",NA,"PDBC47859","689737","Present"
-"NSC689966","","","","","","","","","","","","","","","","","","","","NSC689966","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C=CC(=O)C2=CC(=C(C=C2)Cl)Cl.Cl","AHTQSZVPBSKCAO-HAAWTFQLSA-N","6519525",NA,"PDBC47860","689966","Present"
-"NSC689967","","","","","","","","","","","","","","","","","","","","NSC689967","","CN(C)CC1=CC(=CC(=C1O)CN(C)C)C=CC(=O)C2=CC=C(C=C2)Br.Cl","YHBBZRJKWYBMEW-OAZHBLANSA-N","6519527",NA,"PDBC47861","689967","Present"
-"NSC690013","","","","","","","","","","","","","","","","","","","","NSC690013","","CCC1=C(C(=C(C(=C1CNC2=NCCN2)CC)CNC3=NCCN3)CC)CNC4=NCCN4.Cl","PDRWZQGNJBLLKV-UHFFFAOYSA-N","391170",NA,"PDBC47862","690013","Present"
-"NSC690014","","","","","","","","","","","","","","","","","","","","NSC690014","","CCC1=C(C(=C(C(=C1CNC2=NCCN2)CC)CNC3=NCCN3)CC)CN.Cl","RFFTXSAVKZDCDJ-UHFFFAOYSA-N","391172",NA,"PDBC47863","690014","Present"
-"NSC690015","","","","","","","","","","","","","","","","","","","","NSC690015","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN)N","MNQDARLYRXOMEL-UHFFFAOYSA-N","391174",NA,"PDBC47864","690015","Present"
-"NSC690017","","","","","","","","","","","","","","","","","","","","NSC690017","","CN(C)C1=[N+]2C=CC=CC2=C3N1C4=C(C=C(C=C4)[N+](=O)[O-])N5C3=C6C=CC=C[N+]6=C5N(C)C.[O-]Cl(=O)(=O)=O","RWQPTYCLKWOIEF-UHFFFAOYSA-M","5469554",NA,"PDBC47865","690017","Present"
-"NSC690022","","","","","","","","","","","","","","","","","","","","NSC690022","","C1=CC=C(C=C1)CNCCCCNCCCNCC2=CC=CC=C2.C(=O)(C(F)(F)F)O","JHLBZLSTCZKIRK-UHFFFAOYSA-N","391187",NA,"PDBC47866","690022","Present"
-"NSC690129","","","","","","","","","","","","","","","","","","","","NSC690129","","CCOC(=O)CON=CC1=CC(=O)C2CC1C2(C)C","KLTWOVVNRHJQKX-CHHVJCJISA-N","5897298",NA,"PDBC47867","690129","Present"
-"NSC690130","","","","","","","","","","","","","","","","","","","","NSC690130","","CC1(C2CC1C(=O)C=C2C=NOCC(=O)O)C","SBBOGLWDNWHTEZ-ACAGNQJTSA-N","6285115",NA,"PDBC47868","690130","Present"
-"NSC690239","","","","","","","","","","","","","","","","","","","","NSC690239","","CC(C)(C)C(=CC1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O)O","ZKRIKXLWKPJNLG-KPKJPENVSA-N","135505144",NA,"PDBC47869","690239","Present"
-"NSC690240","","","","","","","","","","","","","","","","","","","","NSC690240","","CC(C)(C)C(=CC1=NC2=C(C=CC(=C2)C(F)(F)F)NC1=O)O","ZSLWPXWMYZMLPX-KPKJPENVSA-N","135419214",NA,"PDBC47870","690240","Present"
-"NSC690241","","","","","","","","","","","","","","","","","","","","NSC690241","","C1CNC(=NC1)NN=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=NNC5=NCCCN5.Br","GMYUMVKMNWOZJL-UREBWWIWSA-N","9556303",NA,"PDBC47871","690241","Present"
-"NSC690242","","","","","","","","","","","","","","","","","","","","NSC690242","","C1CN=C(N1)NN=CC=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=CC=NNC5=NCCN5.Br","FEUVWDUYZKJBEG-TXBIEYPQSA-N","9615094",NA,"PDBC47872","690242","Present"
-"NSC690243","","","","","","","","","","","","","","","","","","","","NSC690243","","C1CNC(=NC1)NN=CC=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=CC=NNC5=NCCCN5.Br","IMHYYRDPXALQSB-HOGJAAFJSA-N","54608530",NA,"PDBC47873","690243","Present"
-"NSC690244","","","","","","","","","","","","","","","","","","","","NSC690244","","C1CCN(C1)C(=N)C2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C(=N)N5CCCC5.Cl","SOLKGJIVPSTNTO-UHFFFAOYSA-N","391288",NA,"PDBC47874","690244","Present"
-"NSC690245","","","","","","","","","","","","","","","","","","","","NSC690245","","C1CCN(C1)C(=N)C=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=CC(=N)N5CCCC5.Cl","BGBCYKAGSVZTIX-MAJATJPUSA-N","6519548",NA,"PDBC47875","690245","Present"
-"NSC690246","","","","","","","","","","","","","","","","","","","","NSC690246","","C1COCCN1C(=N)C=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=CC(=N)N5CCOCC5.Cl","WBZXXFWSIZBNKB-YOJCZTQYSA-N","6519549",NA,"PDBC47876","690246","Present"
-"NSC690248","","","","","","","","","","","","","","","","","","","","NSC690248","","C1=CN=CC=C1C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]","DMFJZTYHTIMPQK-QPEQYQDCSA-N","5424902",NA,"PDBC47877","690248","Present"
-"NSC690249","","","","","","","","","","","","","","","","","","","","NSC690249","","CC1=CC=C(S1)C=NNC(=O)C2=CC=NC=C2","PWAZOSYCMVBHKQ-ZSOIEALJSA-N","5539246",NA,"PDBC47878","690249","Present"
-"NSC690387","","","","","","","","","","","","","","","","","","","","NSC690387","","C[N+](C)(CC1=CC=CC=C1[N+](=O)[O-])C2=CC3=C(C=C2)C(CN3C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl.[Cl-]","BNAXYQNASDSGRN-UHFFFAOYSA-N","391358",NA,"PDBC47879","690387","Present"
-"NSC690388","","","","","","","","","","","","","","","","","","","","NSC690388","","C[N+](C)(CC1=CC=C(C=C1)[N+](=O)[O-])C2=CC3=C(C=C2)C(CN3C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl.[Cl-]","BIDUIBVHECYPDS-UHFFFAOYSA-N","391360",NA,"PDBC47880","690388","Present"
-"NSC690392","","","","","","","","","","","","","","","","","","","","NSC690392","","CC(=O)OC(C1=CC2=C(C=C1)OCO2)C(COC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)Br","WFDBRRZWCTWBOE-WGSRRJMCSA-N","5469582",NA,"PDBC47881","690392","Present"
-"NSC690393","","","","","","","","","","","","","","","","","","","","NSC690393","","CC1(C(CC(O1)N2C=NC3=CN=CN=C32)O)CO","QKZPASHLIBOARS-UHFFFAOYSA-N","391363",NA,"PDBC47882","690393","Present"
-"NSC690398","","","","","","","","","","","","","","","","","","","","NSC690398","","CC1=C(CN2CC=C(C1C2)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4S(=O)(=O)O)OC)OC","AJRJLOQSWBKZCW-IBGZPJMESA-N","6712469",NA,"PDBC47883","690398","Present"
-"NSC690402","","","","","","","","","","","","","","","","","","","","NSC690402","","CCOC(=O)C1C(N(OC1(C2=CC=CC=C2)C(F)(F)F)C)C3=CC=CC=C3","GBGLXQDOGHCYJD-YQVWRLOYSA-N","391367",NA,"PDBC47884","690402","Present"
-"NSC690442","","","","","","","","","","","","","","","","","","","","NSC690442","","","","",NA,"PDBC47885","690442","Present"
-"NSC690573","","","","","","","","","","","","","","","","","","","","NSC690573","","CN(C)C=NC1=C2C(=CN=N1)NC=N2","TZEWFVURVAKWCP-WZUFQYTHSA-N","6412960",NA,"PDBC47886","690573","Present"
-"NSC690734","","","","","","","","","","","","","","","","","","","","NSC690734","","CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)C1=CC3=CC(=C(C(=C3)OC)OC)OC","NISOQKGHYYAZDL-ROUMAOROSA-N","5469601",NA,"PDBC47887","690734","Present"
-"NSC690735","","","","","","","","","","","","","","","","","","","","NSC690735","","CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C1C(NC(=S)N3)C4=CC(=C(C(=C4)OC)OC)OC","KPSPVCBGPILKFW-LICLKQGHSA-N","5469602",NA,"PDBC47888","690735","Present"
-"NSC690736","","","","","","","","","","","","","","","","","","","","NSC690736","","CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C1C(N4C(=O)C(=CC5=CC=C(C=C5)Cl)SC4=N3)C6=CC(=C(C(=C6)OC)OC)OC","BDXKDFAGTHNJAG-ASTBYMRTSA-N","6381852",NA,"PDBC47889","690736","Present"
-"NSC690737","","","","","","","","","","","","","","","","","","","","NSC690737","","CC1CCC(=CC2=CC=C(C=C2)Cl)C(=O)C1=CC3=CC=C(C=C3)Cl","OMLHTHDNMOEJMF-CKDUKDRZSA-N","6186635",NA,"PDBC47890","690737","Present"
-"NSC690739","","","","","","","","","","","","","","","","","","","","NSC690739","","CC1CCCC2=C1C(N3C(=O)C(=CC4=CC=C(C=C4)Cl)SC3=N2)C5=CC=C(C=C5)Cl","GABSYHKVFPHDHM-MOSHPQCFSA-N","6310187",NA,"PDBC47891","690739","Present"
-"NSC690740","","","","","","","","","","","","","","","","","","","","NSC690740","","CC1CCCC2=C1C(N3C(=O)C(=CC4=CC(=C(C(=C4)OC)OC)OC)SC3=N2)C5=CC=C(C=C5)Cl","JZODYZUZBYELQH-HMAPJEAMSA-N","6164872",NA,"PDBC47892","690740","Present"
-"NSC690741","","","","","","","","","","","","","","","","","","","","NSC690741","","CC1CCC(=CC2=CC=C(C=C2)F)C(=O)C1=CC3=CC=C(C=C3)F","UEYYHMGQSHKMPJ-BHYNAFRYSA-N","54611915",NA,"PDBC47893","690741","Present"
-"NSC690742","","","","","","","","","","","","","","","","","","","","NSC690742","","CC1CCC(=CC2=CC=C(C=C2)F)C3=C1C(NC(=S)N3)C4=CC=C(C=C4)F","PMEASLWSSKNFEF-FOWTUZBSSA-N","5469605",NA,"PDBC47894","690742","Present"
-"NSC690743","","","","","","","","","","","","","","","","","","","","NSC690743","","CC1CCC(=CC2=CC=C(C=C2)F)C3=C1C(N4C(=O)CSC4=N3)C5=CC=C(C=C5)F","XXQCGJLVUBZNPV-SFQUDFHCSA-N","5469606",NA,"PDBC47895","690743","Present"
-"NSC690744","","","","","","","","","","","","","","","","","","","","NSC690744","","CC1CCC(=CC2=CC=C(C=C2)F)C3=C1C(N4C(=O)C(=CC5=CC=C(C=C5)Cl)SC4=N3)C6=CC=C(C=C6)F","ORPGLXPHWAVYTL-YEIPUROZSA-N","5863616",NA,"PDBC47896","690744","Present"
-"NSC690745","","","","","","","","","","","","","","","","","","","","NSC690745","","CC1CCC(=CC2=CC=C(C=C2)F)C3=C1C(N4C(=O)C(=CC5=CC(=CC=C5)Br)SC4=N3)C6=CC=C(C=C6)F","GTDOXZJBYJYBKL-CGUSJSPHSA-N","54608517",NA,"PDBC47897","690745","Present"
-"NSC690746","","","","","","","","","","","","","","","","","","","","NSC690746","","CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C(=O)C1=CC3=CC(=C(C=C3)OC)OC","FNEHNMVDEJMKOR-KVOOEGMKSA-N","5469609",NA,"PDBC47898","690746","Present"
-"NSC690747","","","","","","","","","","","","","","","","","","","","NSC690747","","CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C3=C1C(NC(=S)N3)C4=CC(=C(C=C4)OC)OC","GURFECTXWZXOPD-SFQUDFHCSA-N","5469610",NA,"PDBC47899","690747","Present"
-"NSC690748","","","","","","","","","","","","","","","","","","","","NSC690748","","CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C3=C1C(N4C(=O)C(=CC5=CC(=CC=C5)Br)SC4=N3)C6=CC(=C(C=C6)OC)OC","ZZFKHBIAJUPBAB-XSDSYVGVSA-N","5852319",NA,"PDBC47900","690748","Present"
-"NSC690749","","","","","","","","","","","","","","","","","","","","NSC690749","","CC1CCC(=CC2=CC=C(C=C2)N(C)C)C(=O)C1=CC3=CC=C(C=C3)N(C)C","YMXPRDWDPVCOMZ-HCNAOXRDSA-N","5469612",NA,"PDBC47901","690749","Present"
-"NSC690753","","","","","","","","","","","","","","","","","","","","NSC690753","","CC1CCC(=CC2=CC=C(C=C2)Cl)C3=C1C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)Cl","CZCCOGFLWHSCNZ-SFQUDFHCSA-N","5469614",NA,"PDBC47902","690753","Present"
-"NSC690755","","","","","","","","","","","","","","","","","","","","NSC690755","","CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C1C(=C(C(=N3)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC","HRDIXVDXJQRULA-VCHYOVAHSA-N","5469615",NA,"PDBC47903","690755","Present"
-"NSC690756","","","","","","","","","","","","","","","","","","","","NSC690756","","CC1CCC(=CC2=CC=C(C=C2)Cl)C3C1=C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl","FHIISUZUVFBAAZ-SFQUDFHCSA-N","5469616",NA,"PDBC47904","690756","Present"
-"NSC690761","","","","","","","","","","","","","","","","","","","","NSC690761","","CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C3C1=C(C(=C(O3)N)C#N)C4=CC(=C(C=C4)OC)OC","NHTZNOQMXDOAAM-XDHOZWIPSA-N","5469618",NA,"PDBC47905","690761","Present"
-"NSC690765","","","","","","","","","","","","","","","","","","","","NSC690765","","C1C(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)O","WWVCWLBEARZMAH-MNOVXSKESA-N","391517",NA,"PDBC47906","690765","Present"
-"NSC690766","","","","","","","","","","","","","","","","","","","","NSC690766","","COC(=O)C1CC(CN1C(=O)OCC2=CC=CC=C2)[Se]C3=CC=CC=C3","HCJAVQAGTRJKMS-ROUUACIJSA-N","391518",NA,"PDBC47907","690766","Present"
-"NSC690767","","","","","","","","","","","","","","","","","","","","NSC690767","","CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)[Se]C3=CC=CC=C3","XRXKFSPYNUHJGU-ROUUACIJSA-N","391519",NA,"PDBC47908","690767","Present"
-"NSC690768","","","","","","","","","","","","","","","","","","","","NSC690768","","CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC2C(=O)OC","NREMJEDMQAZGGX-LBPRGKRZSA-N","391520",NA,"PDBC47909","690768","Present"
-"NSC690769","","","","","","","","","","","","","","","","","","","","NSC690769","","CC1(OC2CN(C(C2O1)C(=O)OC)C(=O)OCC3=CC=CC=C3)C","FNQXFHRFMVDNGW-MOKVOYLWSA-N","391521",NA,"PDBC47910","690769","Present"
-"NSC690786","","","","","","","","","","","","","","","","","","","","NSC690786","","CCOC(=O)CN1C(=CC(=O)OCC)C2=CC=CC=C2C1=O","IIFSRHMPVVEEKZ-UKTHLTGXSA-N","10425054",NA,"PDBC47911","690786","Present"
-"NSC690788","","","","","","","","","","","","","","","","","","","","NSC690788","","CC(C)(C)C1CCC2(C(C1)(CCCO)O)OCCO2","ZZZOXMYXWISZIK-JSGCOSHPSA-N","391538",NA,"PDBC47912","690788","Present"
-"NSC690790","","","","","","","","","","","","","","","","","","","","NSC690790","","CCOC(=O)N1N=C(C(S1=O)C)C(=NOC)C","OGKIMYMBKADXIC-IZZDOVSWSA-N","5466433",NA,"PDBC47913","690790","Present"
-"NSC690945","","","","","","","","","","","","","","","","","","","","NSC690945","","CN(C)C1=CC=C(C=C1)C=C(C(=O)NCC(=O)O)NC(=O)C2=CC=CC=C2","XOCOOJZYVKKURB-ATVHPVEESA-N","20834552",NA,"PDBC47914","690945","Present"
-"NSC690958","","","","","","","","","","","","","","","","","","","","NSC690958","","CCSC1=NC(=CC2=CC=CC=C2O)C(=O)N1","RLDBYMQMPJIPSX-VQHVLOKHSA-N","135505146",NA,"PDBC47915","690958","Present"
-"NSC691020","","","","","","","","","","","","","","","","","","","","NSC691020","","CC1C([Si](OC1N2CCCC2)(C(C)(C)C)C(C)(C)C)C","AXDDVSSEDQRZFC-RBSFLKMASA-N","6712473",NA,"PDBC47916","691020","Present"
-"NSC691021","","","","","","","","","","","","","","","","","","","","NSC691021","","CC1C([Si](OC1OC(=O)C)(C(C)(C)C)C(C)(C)C)C","VJMCHCTZFDFTKS-NQBHXWOUSA-N","6712474",NA,"PDBC47917","691021","Present"
-"NSC691022","","","","","","","","","","","","","","","","","","","","NSC691022","","CC1C([Si](OC1CC=C)(C(C)(C)C)C(C)(C)C)C","JGTYRFHNCRSKEH-MGPQQGTHSA-N","391575",NA,"PDBC47918","691022","Present"
-"NSC691023","","","","","","","","","","","","","","","","","","","","NSC691023","","CC1C([Si](OC1C2=CC=CC=C2)(C(C)(C)C)C(C)(C)C)C","CEOGHEIKHRDGIT-BLBXNVQISA-N","391576",NA,"PDBC47919","691023","Present"
-"NSC691076","","","","","","","","","","","","","","","","","","","","NSC691076","","C1=CC=C(C(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)O","KAFIDOQQCAYOMG-SXGWCWSVSA-N","135505148",NA,"PDBC47920","691076","Present"
-"NSC691086","","","","","","","","","","","","","","","","","","","","NSC691086","","CCOC(=O)C(=NNC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C)C#N","GPNWXXILFDZSAE-MOHJPFBDSA-N","5466438",NA,"PDBC47921","691086","Present"
-"NSC691087","","","","","","","","","","","","","","","","","","","","NSC691087","","CCOC(=O)C(=NNC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C)C#N","DSCSLGSXQXLVSS-BWAHOGKJSA-N","5466439",NA,"PDBC47922","691087","Present"
-"NSC691089","","","","","","","","","","","","","","","","","","","","NSC691089","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NN2C(=O)C3=CC=CC=C3NC2=O","DDQWEZWFBDRJBL-UHFFFAOYSA-N","391605",NA,"PDBC47923","691089","Present"
-"NSC691091","","","","","","","","","","","","","","","","","","","","NSC691091","","CC(=O)OCC1C(C(C(C(O1)NC(=S)NN2C(=O)C3=CC=CC=C3NC2=O)OC(=O)C)OC(=O)C)OC(=O)C","JPVGMGIERKZJJG-UHFFFAOYSA-N","3596514",NA,"PDBC47924","691091","Present"
-"NSC691095","","","","","","","","","","","","","","","","","","","","NSC691095","","C1=CC=C2C(=C1)C(=O)NC(=N2)NN=CC(=NNC3=NC4=CC=CC=C4C(=O)N3)C(C(C(CO)O)O)O","PCCSGRWGPDJRMM-VMXCISLASA-N","135505151",NA,"PDBC47925","691095","Present"
-"NSC691096","","","","","","","","","","","","","","","","","","","","NSC691096","","C1=CC=C2C(=C1)C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","ABFPWGAYLOTXPD-WCSRMQSCSA-N","135505152",NA,"PDBC47926","691096","Present"
-"NSC691097","","","","","","","","","","","","","","","","","","","","NSC691097","","CC(=O)OCC(C(C(=NNC1=NC2=CC=CC=C2C(=O)N1)C=NNC3=NC4=CC=CC=C4C(=O)N3)OC(=O)C)OC(=O)C","YRJMEBHJYJVXBJ-WDGJNDLCSA-N","135505153",NA,"PDBC47927","691097","Present"
-"NSC691098","","","","","","","","","","","","","","","","","","","","NSC691098","","CC(=O)OCC(C(C(C(=NNC1=NC2=CC=CC=C2C(=O)N1)C=NNC3=NC4=CC=CC=C4C(=O)N3)OC(=O)C)OC(=O)C)OC(=O)C","SLRYXMMYHBACJG-JOBPGMOCSA-N","135505154",NA,"PDBC47928","691098","Present"
-"NSC691101","","","","","","","","","","","","","","","","","","","","NSC691101","","CC(=O)OCC(C(C(C(C=NNC1=NC2=CC=CC=C2C(=O)N1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","NXQAIXRQWKUENK-MRUKODCESA-N","135505155",NA,"PDBC47929","691101","Present"
-"NSC691116","","","","","","","","","","","","","","","","","","","","NSC691116","","CN(C)C(=O)N1C(C(N1)C2=CC=CC=C2)C3=CC=CC=C3","DRFWDUPHRIKCAZ-CVEARBPZSA-N","391630",NA,"PDBC47930","691116","Present"
-"NSC691120","","","","","","","","","","","","","","","","","","","","NSC691120","","COC1=CC=C(C=C1)C=NN2CC(=O)N3C4CCC(N3C2=O)C=C4","NXVLKHNSUMCWHB-ZDLGFXPLSA-N","6079065",NA,"PDBC47931","691120","Present"
-"NSC691194","","","","","","","","","","","","","","","","","","","","NSC691194","","COC(C1=CC=CC=C1)(C2=NC(=C(O2)N)C#N)C(F)(F)F","HDMNANRJXCXDGG-LBPRGKRZSA-N","391650",NA,"PDBC47932","691194","Present"
-"NSC691196","","","","","","","","","","","","","","","","","","","","NSC691196","","CC12CCC3C(C1CCC2O)CCC4=CC(=NOCCN(C)C)CCC34C","DINRPIYOQFAGEB-DNBCDTIGSA-N","9572024",NA,"PDBC47933","691196","Present"
-"NSC691197","","","","","","","","","","","","","","","","","","","","NSC691197","","CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NOCCN(C)C)CCC34C)C.C(=O)(C(=O)O)O","DPMINXZZCHAIMZ-SOBCQDPTSA-N","9572025",NA,"PDBC47934","691197","Present"
-"NSC691198","","","","","","","","","","","","","","","","","","","","NSC691198","","CC12CCC3C(C1CCC2O)CCC4=CC(=NOCCN5CCCCC5)CCC34C.C(=O)(C(=O)O)O","LOKUCZITSQVEOE-TZNZGDNVSA-N","9572026",NA,"PDBC47935","691198","Present"
-"NSC691201","","","","","","","","","","","","","","","","","","","","NSC691201","","CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N","XMXNSZMAJLCIBW-CQSZACIVSA-N","6712476",NA,"PDBC47936","691201","Present"
-"NSC691204","","","","","","","","","","","","","","","","","","","","NSC691204","","CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4)N","FSLZYYGUKOWGJO-AWEZNQCLSA-N","6712477",NA,"PDBC47937","691204","Present"
-"NSC691208","","","","","","","","","","","","","","","","","","","","NSC691208","","CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N","WUZZAONJWVSAAW-NSHDSACASA-N","6712478",NA,"PDBC47938","691208","Present"
-"NSC691217","","","","","","","","","","","","","","","","","","","","NSC691217","","C1=CC=C(C(=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3N2)F","GLWKLILVKWEEEZ-LLVKDONJSA-N","6712479",NA,"PDBC47939","691217","Present"
-"NSC691224","","","","","","","","","","","","","","","","","","","","NSC691224","","C1=CN(C(=O)N=C1N)CCCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","QPAGTASKPGGWBJ-UHFFFAOYSA-N","391682",NA,"PDBC47940","691224","Present"
-"NSC691225","","","","","","","","","","","","","","","","","","","","NSC691225","","CC1=CN(C(=O)NC1=O)CCOCCOC(=O)NC(CCCN=C(N)N)C(=O)O","FAKZIUCYEWOIKQ-UHFFFAOYSA-N","391683",NA,"PDBC47941","691225","Present"
-"NSC691240","","","","","","","","","","","","","","","","","","","","NSC691240","","CN(C)CCNC(=O)C1=CC=CC2=C(C3=C(C(=CC=C3)OC)N=C21)N.Cl","YJTCCBBHOHNIBN-UHFFFAOYSA-N","391694",NA,"PDBC47942","691240","Present"
-"NSC691241","","","","","","","","","","","","","","","","","","","","NSC691241","","CN(C)CCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)C(=O)NCCN(C)C.Cl","KCCWTVAHZZQQED-UHFFFAOYSA-N","391695",NA,"PDBC47943","691241","Present"
-"NSC691246","","","","","","","","","","","","","","","","","","","","NSC691246","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=CC=CC=C4[N+](=O)[O-])N.[Cl-]","GOEHAMMIGNTNOV-UHFFFAOYSA-N","391701",NA,"PDBC47944","691246","Present"
-"NSC691247","","","","","","","","","","","","","","","","","","","","NSC691247","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=CC=C(S4)[N+](=O)[O-])N.[Cl-]","VUXQKSQNJJPNNO-UHFFFAOYSA-N","391703",NA,"PDBC47945","691247","Present"
-"NSC691272","","","","","","","","","","","","","","","","","","","","NSC691272","","CCN1CCC(C(C1)C(=O)C=CC2=C(C=C(C=C2)C)C)(C=CC3=C(C=C(C=C3)C)C)O.Cl","PWNJBUFCYPIPPA-YMSVKFOGSA-N","5469645",NA,"PDBC47946","691272","Present"
-"NSC691274","","","","","","","","","","","","","","","","","","","","NSC691274","","CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)[N+](=O)[O-])O.Cl","GVECWRORPOSGBJ-UHFFFAOYSA-N","391727",NA,"PDBC47947","691274","Present"
-"NSC691275","","","","","","","","","","","","","","","","","","","","NSC691275","","CCN(CC)CCC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)F.Cl","YPVIYFXSGNSAAS-UHFFFAOYSA-N","391729",NA,"PDBC47948","691275","Present"
-"NSC691276","","","","","","","","","","","","","","","","","","","","NSC691276","","CC[N+]1(CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)Cl)(C=CC3=CC=C(C=C3)Cl)O)C.[I-]","GNPUJVJJEKBFCS-WTAGRPKCSA-M","5469649",NA,"PDBC47949","691276","Present"
-"NSC691277","","","","","","","","","","","","","","","","","","","","NSC691277","","CC[N+]1(CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)OC)(C=CC3=CC=C(C=C3)OC)O)C.[I-]","NTTXETGDWMNLQL-NUJWFWAESA-M","5469651",NA,"PDBC47950","691277","Present"
-"NSC691413","","","","","","","","","","","","","","","","","","","","NSC691413","","CC(=NN=C(SC)SC)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2","XKGWMOQBYMNPBB-XMHGGMMESA-N","5466444",NA,"PDBC47951","691413","Present"
-"NSC691415","","","","","","","","","","","","","","","","","","","","NSC691415","","CCCNC(=S)NN=C(C)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2","AFALIXPOCRDOPL-RCCKNPSSSA-N","5466445",NA,"PDBC47952","691415","Present"
-"NSC691531","","","","","","","","","","","","","","","","","","","","NSC691531","","C1C2C(C(C(O1)C(N2CC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6","GRLYHEYCUUPLKX-SCPKLDPKSA-N","391868",NA,"PDBC47953","691531","Present"
-"NSC691563","","","","","","","","","","","","","","","","","","","","NSC691563","","C1CC2=CC=CC=C2C(=O)C(=CC3=CC=C(C=C3)Br)C1","MKLUVKHXILPJIR-QINSGFPZSA-N","5469697",NA,"PDBC47954","691563","Present"
-"NSC691565","","","","","","","","","","","","","","","","","","","","NSC691565","","CC1=CC2=C(C=C1)S(=O)(=O)CCC(=CC3=CC(=C(C=C3)OC)OC)C2=O","LMGMCXMLKLAHNB-PTNGSMBKSA-N","5469699",NA,"PDBC47955","691565","Present"
-"NSC691566","","","","","","","","","","","","","","","","","","","","NSC691566","","CC1=CC2=C(C=C1)S(=O)(=O)CCC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O","HIEHREYXEWSKOT-GDNBJRDFSA-N","5469700",NA,"PDBC47956","691566","Present"
-"NSC691568","","","","","","","","","","","","","","","","","","","","NSC691568","","CC1=CC2=C(C=C1)S(=O)(=O)CCC(=CC3=CC=C(C=C3)Cl)C2=O","YHQBQKDGJRRVNM-KAMYIIQDSA-N","5469702",NA,"PDBC47957","691568","Present"
-"NSC691605","","","","","","","","","","","","","","","","","","","","NSC691605","","CC(C)(C)N1C(=O)NN(C1=O)C2C(C3=CC=CC4=C3C2=CC=C4)OC","HGZOSQJTSVAWIO-HOTGVXAUSA-N","391925",NA,"PDBC47958","691605","Present"
-"NSC691784","","","","","","","","","","","","","","","","","","","","NSC691784","","CC1=CC=C(C=C1)S(=O)CC(C(F)(F)F)NC2=CC=C(C=C2)OC","BUUFBGKRIPFAJH-YAOANENCSA-N","391995",NA,"PDBC47959","691784","Present"
-"NSC691785","","","","","","","","","","","","","","","","","","","","NSC691785","","CC1=CC=C(C=C1)S(=O)C(C2=CC=CC=C2)C(C(F)(F)F)NC3=CC=C(C=C3)OC","UIEZMMLBIUZMMX-MDVYPYFFSA-N","391996",NA,"PDBC47960","691785","Present"
-"NSC691786","","","","","","","","","","","","","","","","","","","","NSC691786","","CC1=CC=C(C=C1)S(=O)C=C(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","FVARZJLAYAUXBL-VBKFSLOCSA-N","5469712",NA,"PDBC47961","691786","Present"
-"NSC691802","","","","","","","","","","","","","","","","","","","","NSC691802","","C1=C(SC(=C1)C2=CC=C(S2)CN)CN.Cl","ARFIOJVWCBONCF-UHFFFAOYSA-N","392004",NA,"PDBC47962","691802","Present"
-"NSC691842","","","","","","","","","","","","","","","","","","","","NSC691842","","CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=NC1=O)C=C(C=C4)OC.Cl","BQBNPPDZHUDNRM-UHFFFAOYSA-N","392043",NA,"PDBC47963","691842","Present"
-"NSC691843","","","","","","","","","","","","","","","","","","","","NSC691843","","CN(C)CCN1C=NC2=C3C=C(C=CC3=NC4=C(C=CC1=C42)[N+](=O)[O-])OC.Cl","YARNIAZNWYKFPP-UHFFFAOYSA-N","392045",NA,"PDBC47964","691843","Present"
-"NSC691844","","","","","","","","","","","","","","","","","","","","NSC691844","","CN(C)CCCN1C=NC2=C3C=C(C=CC3=NC4=C(C=CC1=C42)[N+](=O)[O-])OC.Cl","RHFQUTBHIRIJCD-UHFFFAOYSA-N","392047",NA,"PDBC47965","691844","Present"
-"NSC691845","","","","","","","","","","","","","","","","","","","","NSC691845","","CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])N=C4C=CC(=CC4=C3N(C1=S)CCCN(C)C)OC.Cl","GBUGJHVXQHIVRC-UHFFFAOYSA-N","392049",NA,"PDBC47966","691845","Present"
-"NSC691846","","","","","","","","","","","","","","","","","","","","NSC691846","","CN(C)CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])N=C4C=CC(=CC4=C3N(C1=O)CCN(C)C)O.Cl","KVNKUXCPIPXVAD-UHFFFAOYSA-N","392051",NA,"PDBC47967","691846","Present"
-"NSC691847","","","","","","","","","","","","","","","","","","","","NSC691847","","CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])N=C4C=CC(=CC4=C3N(C1=O)CCCN(C)C)O.Cl","QWUIQUIMDFRVRS-UHFFFAOYSA-N","392053",NA,"PDBC47968","691847","Present"
-"NSC691848","","","","","","","","","","","","","","","","","","","","NSC691848","","CN(C)CCCN1C2=CC=C(C3=NC4=CC=CC=C4C(=C23)N(C1=S)CCCN(C)C)[N+](=O)[O-].Cl","SSKOPPVRIPUKBT-UHFFFAOYSA-N","392055",NA,"PDBC47969","691848","Present"
-"NSC691850","","","","","","","","","","","","","","","","","","","","NSC691850","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCN4CCNCC4)C(=O)C5=CC=CC=C5N3C1=O.Cl","VPLTWSXBFGMYHB-UHFFFAOYSA-N","392059",NA,"PDBC47970","691850","Present"
-"NSC691851","","","","","","","","","","","","","","","","","","","","NSC691851","","CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)OC)CCN(C)C.Cl","YTWLGAJXVNNWBZ-UHFFFAOYSA-N","392061",NA,"PDBC47971","691851","Present"
-"NSC691877","","","","","","","","","","","","","","","","","","","","NSC691877","","CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)NC4=O","KHNZAHCUOWJNCL-UHFFFAOYSA-N","392065",NA,"PDBC47972","691877","Present"
-"NSC691891","","","","","","","","","","","","","","","","","","","","NSC691891","","CC1CCCCN1CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3.Br","AXPSXZRKLBBPCH-UHFFFAOYSA-N","392075",NA,"PDBC47973","691891","Present"
-"NSC691898","","","","","","","","","","","","","","","","","","","","NSC691898","","C1C(C2=C(SC(=C2C(=O)N1)Cl)Cl)N.Cl","QAYCNPQYUFKEFO-UHFFFAOYSA-N","392084",NA,"PDBC47974","691898","Present"
-"NSC691899","","","","","","","","","","","","","","","","","","","","NSC691899","","CSC(=[N+]1CCOCC1)CC2=CC3=C(C=C2)OC4=CC=CC=C4S3.[I-]","PFWONBOGRJPPKJ-UHFFFAOYSA-M","392086",NA,"PDBC47975","691899","Present"
-"NSC691909","","","","","","","","","","","","","","","","","","","","NSC691909","","COC1=C(C=C(C=C1)C=NN=C(C2=CC=NC=C2)[O-])F.COC1=C(C=C(C=C1)C=NN=C(C2=CC=NC=C2)[O-])F.[Cu+2]","LXHHQNMFMWUSCV-KSWNBSBOSA-L","9572039",NA,"PDBC47976","691909","Present"
-"NSC691911","","","","","","","","","","","","","","","","","","","","NSC691911","","CC(=NN=C(C1=CC=NC=C1)[O-])C(F)(F)F.CC(=NN=C(C1=CC=NC=C1)[O-])C(F)(F)F.[Ni+2]","AHHBFHAYGPHUGD-SWVZMQQWSA-L","9572041",NA,"PDBC47977","691911","Present"
-"NSC691977","","","","","","","","","","","","","","","","","","","","NSC691977","","CC1C=CC(C(=O)CC(C(=C)C(C2C(C(CC2(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)(C)C","DHHVTLZJOAQUPG-HTVYHMIHSA-N","5469741",NA,"PDBC47978","691977","Present"
-"NSC691982","","","","","","","","","","","","","","","","","","","","NSC691982","","CCSC1=NC(=CC2=CC=CO2)C(=O)N1","XDYAMQJWCFUJOP-VURMDHGXSA-N","135505157",NA,"PDBC47979","691982","Present"
-"NSC691983","","","","","","","","","","","","","","","","","","","","NSC691983","","CCSC1=NC(=CC2=CC=CO2)C(=N1)NC3=CC=C(C=C3)C","VBZMMBVCBYPUOD-PTNGSMBKSA-N","5469746",NA,"PDBC47980","691983","Present"
-"NSC691995","","","","","","","","","","","","","","","","","","","","NSC691995","","","","",NA,"PDBC47981","691995","Present"
-"NSC692221","","","","","","","","","","","","","","","","","","","","NSC692221","","CC12C3C(C(=O)N(C3=O)C)C(N(C1=O)C)(N(C2=O)C4=CC=CC=C4)SC","RIJCISFWCJRXTE-FVEFGIFQSA-N","392172",NA,"PDBC47982","692221","Present"
-"NSC692349","","","","","","","","","","","","","","","","","","","","NSC692349","","COC(=O)CC1C(N(C2=CC=CC=C12)C(=O)C(F)(F)F)C3=C(C4=CC=CC=C4N3)CC(=O)OC","QDYXNOGDYCOUPU-OPAMFIHVSA-N","392216",NA,"PDBC47983","692349","Present"
-"NSC692350","","","","","","","","","","","","","","","","","","","","NSC692350","","CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C3=CC=CC=C32)CC(=O)OC)C4=C(C5=CC=CC=C5N4)CC(=O)OC","MDIKALLRRUYWKL-RNWIMVQKSA-N","392217",NA,"PDBC47984","692350","Present"
-"NSC692351","","","","","","","","","","","","","","","","","","","","NSC692351","","CN1C(=O)C(C(C1=O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","KQAHOPCCKHMHRW-KDURUIRLSA-N","392218",NA,"PDBC47985","692351","Present"
-"NSC692352","","","","","","","","","","","","","","","","","","","","NSC692352","","COC1=CC=C(C=C1)C2OCC3C(O2)C(C(C(O3)OCC4=CC=CC=C4)O)O","BQQPPEZILXNLRW-UPGRXVQDSA-N","392219",NA,"PDBC47986","692352","Present"
-"NSC692355","","","","","","","","","","","","","","","","","","","","NSC692355","","CN1C(=O)C2C3C(C4=C(C2C1=O)C5=CC=CC=C5N4)NC6=CC=CC=C36","XSGLDYZSUVFEEQ-RANZSIQMSA-N","392222",NA,"PDBC47987","692355","Present"
-"NSC692358","","","","","","","","","","","","","","","","","","","","NSC692358","","CN1C(=O)C2C3C(C4=C(C2C1=O)C5=CC=CC=C5N4)N(C6=CC=CC=C36)S(=O)(=O)C(F)(F)F","DQIOJUWUHMMTGC-BMFAXAFESA-N","392225",NA,"PDBC47988","692358","Present"
-"NSC692359","","","","","","","","","","","","","","","","","","","","NSC692359","","COC(=O)CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CC(=O)OC.Cl","CTLOWLUYUODUQL-CQWFHMBZSA-N","392226",NA,"PDBC47989","692359","Present"
-"NSC692360","","","","","","","","","","","","","","","","","","","","NSC692360","","CC(=O)N1C(C(C2=CC=CC=C21)CC(=O)OC)C3=C(C4=CC=CC=C4N3)CC(=O)OC","SKVAQSDBBWNENV-HOYKHHGWSA-N","392228",NA,"PDBC47990","692360","Present"
-"NSC692362","","","","","","","","","","","","","","","","","","","","NSC692362","","C1CC2=C(C3C1C4=CC=CC=C4N3)NC5=CC=CC=C25","XHACXRLDOIXWAW-DYVFJYSZSA-N","392230",NA,"PDBC47991","692362","Present"
-"NSC692363","","","","","","","","","","","","","","","","","","","","NSC692363","","CC(=O)N1C2C(CCC3=C2NC4=CC=CC=C34)C5=CC=CC=C51","OFAZMWSETIHISN-UZLBHIALSA-N","392231",NA,"PDBC47992","692363","Present"
-"NSC692367","","","","","","","","","","","","","","","","","","","","NSC692367","","C1CC2=C(C3C1C4=C(N3)C=CC(=C4)Br)NC5=CC=CC=C25","WYIMSVWJWNMLEY-ACJLOTCBSA-N","392235",NA,"PDBC47993","692367","Present"
-"NSC692368","","","","","","","","","","","","","","","","","","","","NSC692368","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3C(CCC4=C3NC5=CC=CC=C45)C6=CC=CC=C62.CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3C(CCC4=C3NC5=CC=CC=C45)C6=CC=CC=C62","AOFNXWGYCDSPND-PXXYRWOUSA-N","6712485",NA,"PDBC47994","692368","Present"
-"NSC692384","","","","","","","","","","","","","","","","","","","","NSC692384","","C1C2C(C(=C3N(C2C4=CC=CC=C4)C5=CC=CC=C5S3)C#N)C(=O)O1","MNCQFQOCEWTPCF-JCGIZDLHSA-N","392248",NA,"PDBC47995","692384","Present"
-"NSC692385","","","","","","","","","","","","","","","","","","","","NSC692385","","COC1=CC=C(C=C1)C2C3COC(=O)C3C(=C4N2C5=CC=CC=C5S4)C#N","GNSGVAYFCWBUMG-SNRMKQJTSA-N","392249",NA,"PDBC47996","692385","Present"
-"NSC692413","","","","","","","","","","","","","","","","","","","","NSC692413","","C1=CC=C(C=C1)C(=O)C2=C3C=CC=CN3C4=CC=CC=[N+]42.[Br-]","REKDNKCWYAGDJS-UHFFFAOYSA-M","392273",NA,"PDBC47997","692413","Present"
-"NSC692414","","","","","","","","","","","","","","","","","","","","NSC692414","","C[N+]1=CN(C2=CC=CC=C21)C3=NC=C(C=C3)[N+](=O)[O-].[I-]","GJDIRQPEZCCGRR-UHFFFAOYSA-M","392275",NA,"PDBC47998","692414","Present"
-"NSC692417","","","","","","","","","","","","","","","","","","","","NSC692417","","C1=CC=C2C(=C1)N3C=C(C=CC3N2CC(=O)O)N.Br","PYZQWOXGUVNLLH-UHFFFAOYSA-N","392281",NA,"PDBC47999","692417","Present"
-"NSC692418","","","","","","","","","","","","","","","","","","","","NSC692418","","CCN(CC)C(=O)C[N+]1=C2C=CC(=CN2C3=CC=CC=C31)N.[Br-]","HCTBAMASLBKJQC-UHFFFAOYSA-M","392283",NA,"PDBC48000","692418","Present"
-"NSC692610","","","","","","","","","","","","","","","","","","","","NSC692610","","CON=C1C2C=CC(C1N3C(=O)N(C(=O)N3)C4=CC=CC=C4)N5N2C(=O)N(C5=O)C6=CC=CC=C6","XEYIHVBIHFRITF-XIEYBQDHSA-N","5466471",NA,"PDBC48001","692610","Present"
-"NSC692656","","","","","","","","","","","","","","","","","","","","NSC692656","","CC12CCC(=NOCCN(C)C)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C","UPLPEMPGTZEHCN-IHIRQGBCSA-N","9572042",NA,"PDBC48002","692656","Present"
-"NSC692658","","","","","","","","","","","","","","","","","","","","NSC692658","","COC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)NC(CC4=CC=CC=C4)C(=O)O","MYLIUJIJXACQLQ-UHFFFAOYSA-N","392374",NA,"PDBC48003","692658","Present"
-"NSC692660","","","","","","","","","","","","","","","","","","","","NSC692660","","COC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)NC(CCSC)C(=O)O","AUSRVTQSFYFCIT-UHFFFAOYSA-N","392376",NA,"PDBC48004","692660","Present"
-"NSC692738","","","","","","","","","","","","","","","","","","","","NSC692738","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)NCCN(C)C.Cl","IMDGOWFSIBTXGN-UHFFFAOYSA-N","392381",NA,"PDBC48005","692738","Present"
-"NSC692770","","","","","","","","","","","","","","","","","","","","NSC692770","","CNC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC2CO","SJHOXKCNDRAEJK-JTQLQIEISA-N","392406",NA,"PDBC48006","692770","Present"
-"NSC692772","","","","","","","","","","","","","","","","","","","","NSC692772","","COC(=O)C1CC(CN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O","OZONEKRLBNENJU-KCJUWKMLSA-N","392408",NA,"PDBC48007","692772","Present"
-"NSC692773","","","","","","","","","","","","","","","","","","","","NSC692773","","CNC1=C(C=CC(=C1)N)C(=O)N2CCCC2CO","GOSGFLYGYVXSOZ-JTQLQIEISA-N","392409",NA,"PDBC48008","692773","Present"
-"NSC692774","","","","","","","","","","","","","","","","","","","","NSC692774","","C1CC(N(C1)C(=O)C2=C(C=C(C=C2)N)N)CO","CKAZSWJIUOUVOM-VIFPVBQESA-N","392410",NA,"PDBC48009","692774","Present"
-"NSC692775","","","","","","","","","","","","","","","","","","","","NSC692775","","C1CC2C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2C1","QLRLVUVGAUQSGD-JTQLQIEISA-N","392411",NA,"PDBC48010","692775","Present"
-"NSC692776","","","","","","","","","","","","","","","","","","","","NSC692776","","COCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N3CCCC3C1=O","DDWXJQSDRWQZNR-NSHDSACASA-N","392412",NA,"PDBC48011","692776","Present"
-"NSC692777","","","","","","","","","","","","","","","","","","","","NSC692777","","C1CC2C(N(C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2C1)C(=O)OCC4=CC=CC=C4)O","NGVOOCVAZCEYHR-UCFFOFKASA-N","392413",NA,"PDBC48012","692777","Present"
-"NSC692778","","","","","","","","","","","","","","","","","","","","NSC692778","","C1CC2C(=O)NC3=C(C=CC(=C3)N)C(=O)N2C1","RAXSZUBJYAGQTM-JTQLQIEISA-N","392414",NA,"PDBC48013","692778","Present"
-"NSC692779","","","","","","","","","","","","","","","","","","","","NSC692779","","COCN1C2=C(C=CC(=C2)N)C(=O)N3CCCC3C1=O","FRGSRLLZHREUOT-NSHDSACASA-N","392415",NA,"PDBC48014","692779","Present"
-"NSC692780","","","","","","","","","","","","","","","","","","","","NSC692780","","C1C(CN2C1C(=O)N(C3=CC=CC=C3C2=O)CCCO)O","SUIUMRKCWLHNEG-MFKMUULPSA-N","392416",NA,"PDBC48015","692780","Present"
-"NSC693021","","","","","","","","","","","","","","","","","","","","NSC693021","","CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=C(C=CC(=C3)O)[N+](=O)[O-]","UYPHAMKUENKBMJ-GFCCVEGCSA-N","6712488",NA,"PDBC48016","693021","Present"
-"NSC693022","","","","","","","","","","","","","","","","","","","","NSC693022","","C1=CC=C(C(=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2)F","CKUAREVUADKYDU-LLVKDONJSA-N","6712489",NA,"PDBC48017","693022","Present"
-"NSC693086","","","","","","","","","","","","","","","","","","","","NSC693086","","CC(C)(C)[Si](C)(C)OCC1C(=CC#N)C(C(O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C","BKTNMVOFLGEWND-LFIBNONCSA-N","5469825",NA,"PDBC48018","693086","Present"
-"NSC693089","","","","","","","","","","","","","","","","","","","","NSC693089","","CC(C)(C)[Si](C)(C)OC1C(OC(C1=CC#N)N2C=CC(=O)NC2=O)CO","SVYVVRNFTSBWJQ-WDZFZDKYSA-N","5469826",NA,"PDBC48019","693089","Present"
-"NSC693090","","","","","","","","","","","","","","","","","","","","NSC693090","","CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)C(O2)C(=O)OC","DIOPLPHLHKNLDY-BIIXVAJISA-N","6712492",NA,"PDBC48020","693090","Present"
-"NSC693092","","","","","","","","","","","","","","","","","","","","NSC693092","","CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)C(O2)C(=O)N","ORAHAOMNMKUNSC-VFOLLXJASA-N","6712493",NA,"PDBC48021","693092","Present"
-"NSC693093","","","","","","","","","","","","","","","","","","","","NSC693093","","CC(C)(C)[Si](C)(C)OCC1C2(C(O2)CO)C(C(O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C","RKINMRQIHQOKAQ-WCZGNFLWSA-N","392549",NA,"PDBC48022","693093","Present"
-"NSC693129","","","","","","","","","","","","","","","","","","","","NSC693129","","C1=CC=C(C=C1)C=C(C(=CC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]","CDIAVOLAJKVLGQ-JOBJLJCHSA-N","5469831",NA,"PDBC48023","693129","Present"
-"NSC693131","","","","","","","","","","","","","","","","","","","","NSC693131","","C1=CSC(=C1)C=C(C(=CC2=CC=CS2)[N+](=O)[O-])[N+](=O)[O-]","HXXRASKNKHZSAG-MKICQXMISA-N","5469833",NA,"PDBC48024","693131","Present"
-"NSC693133","","","","","","","","","","","","","","","","","","","","NSC693133","","CC1=CC(=C(C(=C1)C)C=C(C(=CC2=C(C=C(C=C2C)C)C)[N+](=O)[O-])[N+](=O)[O-])C","OAGDVHFDYSPLNX-XHQRYOPUSA-N","5469835",NA,"PDBC48025","693133","Present"
-"NSC693135","","","","","","","","","","","","","","","","","","","","NSC693135","","C1CCC(CC1)C=C(C(=CC2CCCCC2)[N+](=O)[O-])[N+](=O)[O-]","USMQPPGXUNIKHS-JOBJLJCHSA-N","5469837",NA,"PDBC48026","693135","Present"
-"NSC693136","","","","","","","","","","","","","","","","","","","","NSC693136","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCN)OCCCN)C.Cl","NYYYRVJWZTZFPH-UHFFFAOYSA-N","392589",NA,"PDBC48027","693136","Present"
-"NSC693137","","","","","","","","","","","","","","","","","","","","NSC693137","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCCCN)OCCCN)C.Cl","RYQMBFZQXUJRDF-UHFFFAOYSA-N","392591",NA,"PDBC48028","693137","Present"
-"NSC693139","","","","","","","","","","","","","","","","","","","","NSC693139","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCCN)OCCCN)C.Cl","WTVPZVKVBKGWFB-UHFFFAOYSA-N","392595",NA,"PDBC48029","693139","Present"
-"NSC693141","","","","","","","","","","","","","","","","","","","","NSC693141","","COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3CCCl)OC)OC)OC.Cl","SENFFVDNFQWNOA-UHFFFAOYSA-N","392598",NA,"PDBC48030","693141","Present"
-"NSC693142","","","","","","","","","","","","","","","","","","","","NSC693142","","COC1=CC2=C(C=C1)C(=NCC2)CC3=CC(=C(C=C3CCCl)OC)OC.Cl","ISCFRZQGVSCTFW-UHFFFAOYSA-N","392600",NA,"PDBC48031","693142","Present"
-"NSC693143","","","","","","","","","","","","","","","","","","","","NSC693143","","COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC=CC=C4C=C23)OC.[Cl-]","ZVVODOOPMLULIJ-UHFFFAOYSA-M","392602",NA,"PDBC48032","693143","Present"
-"NSC693207","","","","","","","","","","","","","","","","","","","","NSC693207","","CCOC(=CC(=O)OCC)C1C(C1C(=O)C2=CC=C(C=C2)Cl)C(=CC(=O)OCC)OCC","ACUAXXWAUOZMQY-JXDHQTSCSA-N","5469838",NA,"PDBC48033","693207","Present"
-"NSC693208","","","","","","","","","","","","","","","","","","","","NSC693208","","CCOC(=CC(=O)OCC)C1C(C1C(=O)C2=CC=C(C=C2)Cl)C(=CC(=O)OCC)OCC","ACUAXXWAUOZMQY-MDBDYUHZSA-N","5469839",NA,"PDBC48034","693208","Present"
-"NSC693209","","","","","","","","","","","","","","","","","","","","NSC693209","","COC(=O)C1CCCN1CCN2CCCC2C(=O)OC.Cl","CJVZDDMJAFMZEM-FXMYHANSSA-N","392627",NA,"PDBC48035","693209","Present"
-"NSC693210","","","","","","","","","","","","","","","","","","","","NSC693210","","C1CC(N(C1)CCNC(CC2=CC=CC=C2)C(=O)O)C(=O)O","AIQRRBZICYVCTC-KBPBESRZSA-N","392629",NA,"PDBC48036","693210","Present"
-"NSC693211","","","","","","","","","","","","","","","","","","","","NSC693211","","C1=CC=C2C(=C1)SC3[S+]2C4=CC=CC=C4S3.[Cl-]","WMOWPNGUADUBSW-UHFFFAOYSA-M","392630",NA,"PDBC48037","693211","Present"
-"NSC693213","","","","","","","","","","","","","","","","","","","","NSC693213","","CCOC(=O)C12C3CCC=CC3OC(=C1C(=O)C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5","YFMCCSJZZASRKC-BVFVYWQFSA-N","392633",NA,"PDBC48038","693213","Present"
-"NSC693214","","","","","","","","","","","","","","","","","","","","NSC693214","","CCOC(=O)C12C3CCC(C1(C(=O)C(=O)N2C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C=C3","JUMRKJSOTYPWAU-QFJJDKIVSA-N","392634",NA,"PDBC48039","693214","Present"
-"NSC693219","","","","","","","","","","","","","","","","","","","","NSC693219","","CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)N3C(C(NC3=S)C(C(C(CO)O)O)O)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","ABCCVUMPKHDYBB-GYCTVFPHSA-N","5469841",NA,"PDBC48040","693219","Present"
-"NSC693220","","","","","","","","","","","","","","","","","","","","NSC693220","","CC(=O)OCC1C(C(C(C(O1)N2C(C(NC2=S)C(C(C(CO)O)O)O)O)OC(=O)C)OC(=O)C)OC(=O)C","HRJUDVOZMBSFLQ-ARGZLTICSA-N","5469842",NA,"PDBC48041","693220","Present"
-"NSC693223","","","","","","","","","","","","","","","","","","","","NSC693223","","CC1C2C(C(=O)O1)N=NN2CC3=CC=CC=C3","UTECEQBALVAXFP-FBIMIBRVSA-N","392644",NA,"PDBC48042","693223","Present"
-"NSC693224","","","","","","","","","","","","","","","","","","","","NSC693224","","C1COC2(O1)C(CC(=O)CC2SC3=CC=CC=C3)SC4=CC=CC=C4","DBRUMVVSNWOTCR-OALUTQOASA-N","392645",NA,"PDBC48043","693224","Present"
-"NSC693225","","","","","","","","","","","","","","","","","","","","NSC693225","","C1CCN2C(C1)C3C(O2)C4(C(CC3=O)SC5=CC=CC=C5)OCCO4","NEGRAHAFWROCCX-PKWDIUTOSA-N","392646",NA,"PDBC48044","693225","Present"
-"NSC693229","","","","","","","","","","","","","","","","","","","","NSC693229","","CN=C1C2CSCN2C(=S)C3=CC=CC=C3N1","WVGZDWBCJJKRBW-JTQLQIEISA-N","135489897",NA,"PDBC48045","693229","Present"
-"NSC693230","","","","","","","","","","","","","","","","","","","","NSC693230","","C1C2C(=NCCO)NC3=C(C=C(C=C3)Cl)C(=S)N2CS1","WSAUEXHFRVKMTF-NSHDSACASA-N","135489898",NA,"PDBC48046","693230","Present"
-"NSC693231","","","","","","","","","","","","","","","","","","","","NSC693231","","CC1(OCC2C(C(O1)C3SCCCS3)OC(O2)(C)C)C","BDBXXMKICMYLRH-GMTAPVOTSA-N","392652",NA,"PDBC48047","693231","Present"
-"NSC693235","","","","","","","","","","","","","","","","","","","","NSC693235","","CNC1=C2C(=NC=N1)N(C(=N2)NC3CCCC3)C4C(C(C(O4)CO)O)O","BBQDTZUQOLAMMU-UHFFFAOYSA-N","392656",NA,"PDBC48048","693235","Present"
-"NSC693246","","","","","","","","","","","","","","","","","","","","NSC693246","","CC(=NNC1=NC=NC2=CC=CC=C21)C3=CC=CC=N3","GRDMGYDEJSDGIQ-YBFXNURJSA-N","5466480",NA,"PDBC48049","693246","Present"
-"NSC693247","","","","","","","","","","","","","","","","","","","","NSC693247","","CC(=NOC1=CC(=NC=N1)Cl)C2=CC=CC=N2","CYIDKMRQCBBIDR-LZYBPNLTSA-N","5466481",NA,"PDBC48050","693247","Present"
-"NSC693326","","","","","","","","","","","","","","","","","","","","NSC693326","","CC(=NNC(=S)N1CCCCC1)C=NNC(=S)N2CCCCC2","UNSNRXLRFNYEKO-MCOFMCJXSA-N","6412422",NA,"PDBC48051","693326","Present"
-"NSC693327","","","","","","","","","","","","","","","","","","","","NSC693327","","CN(C)C(=S)NN=CC(=NNC(=S)N(C)C)C1=CC=CC=C1","LKFNJXLIFHTTQD-RWIOWDNPSA-N","6477574",NA,"PDBC48052","693327","Present"
-"NSC693332","","","","","","","","","","","","","","","","","","","","NSC693332","","CNC(=S)NN=C(C1=CC=CC=N1)C(=NNC(=S)NC)C2=CC=CC=N2","ZKWAXXIOGSZGMU-JZTLMNBPSA-N","6399375",NA,"PDBC48053","693332","Present"
-"NSC693333","","","","","","","","","","","","","","","","","","","","NSC693333","","CN(C)C(=S)NN=C(C1=CC=CC=N1)C(=NNC(=S)N(C)C)C2=CC=CC=N2","XXGSUIGACAMZIQ-BMJUYKDLSA-N","6399376",NA,"PDBC48054","693333","Present"
-"NSC693334","","","","","","","","","","","","","","","","","","","","NSC693334","","C1CCN(CC1)C(=S)NN=C(C2=CC=CC=N2)C(=NNC(=S)N3CCCCC3)C4=CC=CC=N4","LEEHMUDQGYHRBO-ZDSKVHJSSA-N","6399377",NA,"PDBC48055","693334","Present"
-"NSC693335","","","","","","","","","","","","","","","","","","","","NSC693335","","CC(=NNC(=S)N1CCN(CC1)C(=S)NN=C(C)C2=CC=CC=N2)C3=CC=CC=N3","GIBOHTBSFVMWLF-MPKYGIEOSA-N","5481308",NA,"PDBC48056","693335","Present"
-"NSC693405","","","","","","","","","","","","","","","","","","","","NSC693405","","CC(C)(C)[Si](C)(C)OCC1C23C(C(C(O2)(C4C3O4)OC)C(=O)OC5=CC=CC=C5)C(=O)O1","UEJGAGUXDUNUSH-RAFUZCKPSA-N","392687",NA,"PDBC48057","693405","Present"
-"NSC693406","","","","","","","","","","","","","","","","","","","","NSC693406","","CC12C(C(C3(O1)C(OC(=O)C3C2S(=O)(=O)C4=CC=CC=C4)CO[Si](C)(C)C(C)(C)C)O)O","MFQXTVUTECDXKP-VXAOCQNFSA-N","392688",NA,"PDBC48058","693406","Present"
-"NSC693407","","","","","","","","","","","","","","","","","","","","NSC693407","","CC(C)(C)[Si](C)(C)OCC1C23C(C(C(O2)(C4C3O4)OC)S(=O)(=O)C5=CC=CC=C5)C(=O)O1","IJCUBXVUQYXEQF-VXAOCQNFSA-N","392689",NA,"PDBC48059","693407","Present"
-"NSC693410","","","","","","","","","","","","","","","","","","","","NSC693410","","CC12C3C(O3)C4(O1)C(C2Cl)C(=O)N5C4(OCC5)C","VOVSWGBFCDXZAX-WMCQRFFKSA-N","392692",NA,"PDBC48060","693410","Present"
-"NSC693420","","","","","","","","","","","","","","","","","","","","NSC693420","","C1CCC2CC(=NNC(=O)N)CC2C1","CADKCLMGFVEKGL-OCAPTIKFSA-N","392703",NA,"PDBC48061","693420","Present"
-"NSC693421","","","","","","","","","","","","","","","","","","","","NSC693421","","COC1(CCC2C1CC(C3C2C4=CC=CC=C4O3)(C(=C)[Si](C)(C)C)O)OC","DPDZZWZMFZQENG-VPOJOSCRSA-N","392704",NA,"PDBC48062","693421","Present"
-"NSC693429","","","","","","","","","","","","","","","","","","","","NSC693429","","CC1(OCC(CO1)C=CC(CC2(OCCO2)C)O)C","TYVJEJZYENCTEN-PLNGDYQASA-N","5469853",NA,"PDBC48063","693429","Present"
-"NSC693432","","","","","","","","","","","","","","","","","","","","NSC693432","","C1C(C(CS1(=O)=O)NCC2=CC=CC=C2)NCC3=CC=CC=C3","VBWQFJPGNFMRGR-HDICACEKSA-N","392714",NA,"PDBC48064","693432","Present"
-"NSC693438","","","","","","","","","","","","","","","","","","","","NSC693438","","C1CCC(=O)C(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3)C1","FZZDKGCMZNPEGV-HBKDFCBLSA-N","54608981",NA,"PDBC48065","693438","Present"
-"NSC693442","","","","","","","","","","","","","","","","","","","","NSC693442","","CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)Cl)C1=O.Cl","GBAIAMIEDUPDRW-KEUSTAIFSA-N","6519684",NA,"PDBC48066","693442","Present"
-"NSC693445","","","","","","","","","","","","","","","","","","","","NSC693445","","CC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C=C3CCCC(=CC4=CC=C(C=C4)OC(=O)C=CC5=CC=C(C=C5)C)C3=O","DKTQCGKBPLGSGL-DLJMWIJBSA-N","6296028",NA,"PDBC48067","693445","Present"
-"NSC693446","","","","","","","","","","","","","","","","","","","","NSC693446","","C1CC(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)C1","KJHPWXGKVASIHB-UFSUQUSASA-N","6179449",NA,"PDBC48068","693446","Present"
-"NSC693447","","","","","","","","","","","","","","","","","","","","NSC693447","","C1CC(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl)C1","JAUKSUFXEQDLON-CRYYDKFDSA-N","5871899",NA,"PDBC48069","693447","Present"
-"NSC693448","","","","","","","","","","","","","","","","","","","","NSC693448","","CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3CCCC(=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C)C3=O","MVHGRYHVRSESNA-WECXDZCISA-N","5877775",NA,"PDBC48070","693448","Present"
-"NSC693578","","","","","","","","","","","","","","","","","","","","NSC693578","","C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O)O.C(=O)(C(F)(F)F)[O-]","XQKPAHBXNHXFOS-UHFFFAOYSA-N","392766",NA,"PDBC48071","693578","Present"
-"NSC693592","","","","","","","","","","","","","","","","","","","","NSC693592","","CC(=O)OCC1C(C2C3=CC4=C(C=C3C1O2)OCO4)COC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC","JISMWPQXAJBHGA-ZTMKUHGQSA-N","392768",NA,"PDBC48072","693592","Present"
-"NSC693627","","","","","","","","","","","","","","","","","","","","NSC693627","","C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3","YHHFKWKMXWRVTJ-OQKWZONESA-N","6519698",NA,"PDBC48073","693627","Present"
-"NSC693700","","","","","","","","","","","","","","","","","","","","NSC693700","","CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2OC(=O)C)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C","REDMIYQFNIRTDF-LARDOQITSA-N","5469880",NA,"PDBC48074","693700","Present"
-"NSC693721","","","","","","","","","","","","","","","","","","","","NSC693721","","C[N+](=CC1=C(N(C(C1)C(=O)OC)C(=O)OCC2=CC=CC=C2)SC)C.[I-]","HUMWXQPVSJZYJY-UHFFFAOYSA-M","392800",NA,"PDBC48075","693721","Present"
-"NSC693722","","","","","","","","","","","","","","","","","","","","NSC693722","","C[N+](=CC1=C(NC(C1)C(=O)OC)SC)C.[I-]","AMFGAYQIQCGKNS-UHFFFAOYSA-N","392802",NA,"PDBC48076","693722","Present"
-"NSC693866","","","","","","","","","","","","","","","","","","","","NSC693866","","CC1=CC2=C(C=C1C)[N+](=C(C(=[N+]2[O-])C#N)NCCCN(C)C)[O-].Cl","PKRURCLIQCOUDN-UHFFFAOYSA-N","135505161",NA,"PDBC48077","693866","Present"
-"NSC693884","","","","","","","","","","","","","","","","","","","","NSC693884","","CCCC(=NOC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])Cl","RYHGPWXDGZZLOM-XNTDXEJSSA-N","5494378",NA,"PDBC48078","693884","Present"
-"NSC693888","","","","","","","","","","","","","","","","","","","","NSC693888","","CCOC(=O)C1(CC23C(C4C2(C1)OC(OC4=O)(C)C)C(=O)CCO3)C(=O)OCC","LLBFYSCXKPMJSH-USEHDAJUSA-N","392868",NA,"PDBC48079","693888","Present"
-"NSC693889","","","","","","","","","","","","","","","","","","","","NSC693889","","CCOC(=O)C1(CC(=O)C2(C1)C3CC(=O)OC3CCO2)C(=O)OCC","WBBOOPQPBSNOKB-AGKHESDQSA-N","392869",NA,"PDBC48080","693889","Present"
-"NSC693926","","","","","","","","","","","","","","","","","","","","NSC693926","","CC(=O)NC1C(OC2C1OC(O2)(C)C)CO","NGDMCQAAEDAQDO-GEPGNKONSA-N","392873",NA,"PDBC48081","693926","Present"
-"NSC693927","","","","","","","","","","","","","","","","","","","","NSC693927","","CC1(OC2C(C(OC2O1)CO)OS(=O)(=O)C)C","BTKLXAREQZLDIF-DWYQZRHDSA-N","392874",NA,"PDBC48082","693927","Present"
-"NSC693928","","","","","","","","","","","","","","","","","","","","NSC693928","","CC1(OC2C(C(OC2O1)CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])C","OHTQKTNZQFLKIP-KIDURHIOSA-N","392875",NA,"PDBC48083","693928","Present"
-"NSC693929","","","","","","","","","","","","","","","","","","","","NSC693929","","CC1(OC2C(C(OC2O1)CO)N=[N+]=[N-])C","FHISEYHHNZGAOG-TVVDDFTJSA-N","392876",NA,"PDBC48084","693929","Present"
-"NSC693930","","","","","","","","","","","","","","","","","","","","NSC693930","","CC(=O)NC1C(OC2C1OC(O2)(C)C)CN(CC(=O)OC)C(=O)OCC3=CC=CC=C3","ITFALOWSTZXWBE-JDGDGYACSA-N","392877",NA,"PDBC48085","693930","Present"
-"NSC693933","","","","","","","","","","","","","","","","","","","","NSC693933","","CC1(OC2C(C(OC2O1)CN(CC(=O)OC)C(=O)OCC3=CC=CC=C3)N=[N+]=[N-])C","DDVHEZOWOSXMFL-OKEQZYBDSA-N","6712508",NA,"PDBC48086","693933","Present"
-"NSC694082","","","","","","","","","","","","","","","","","","","","NSC694082","","C1C(NC(=O)O1)C(CCCCCO)OC(=O)C2=CC=CC=C2","KPIUEMUZINKMNB-KGLIPLIRSA-N","392902",NA,"PDBC48087","694082","Present"
-"NSC694083","","","","","","","","","","","","","","","","","","","","NSC694083","","C1CCC(C2COC(=O)N2CC1)O","BXZGLUWKDUEGBO-SFYZADRCSA-N","392903",NA,"PDBC48088","694083","Present"
-"NSC694093","","","","","","","","","","","","","","","","","","","","NSC694093","","CC(=CC1=CC=CC=N1)C2=CC=CC=N2","NRFVWCSJDVRCTD-ZHACJKMWSA-N","5469909",NA,"PDBC48089","694093","Present"
-"NSC694110","","","","","","","","","","","","","","","","","","","","NSC694110","","CC(=CC(=O)C1=C(C=C(N1)C(=O)O)C2CCN(C2=O)CC3=CC=CC=C3)N","RFVVFVODGDUCRC-XFXZXTDPSA-N","5469918",NA,"PDBC48090","694110","Present"
-"NSC694113","","","","","","","","","","","","","","","","","","","","NSC694113","","CCOC(=O)C1=CC(=C(N1)C(=O)C=C(C)N)C2CCN(C2=O)CC3=CC=CC=C3","YASCIIQGCSWYFM-KAMYIIQDSA-N","5469919",NA,"PDBC48091","694113","Present"
-"NSC694171","","","","","","","","","","","","","","","","","","","","NSC694171","","CC1=CC=C(C=C1)S(=O)(=O)N2C3CC(C2C(Cl)(Cl)Cl)C=C3","KOPDSVZGKUSECV-GCZXYKMCSA-N","392957",NA,"PDBC48092","694171","Present"
-"NSC694214","","","","","","","","","","","","","","","","","","","","NSC694214","","C1=CC=C(C=C1)C(=O)ON=C2C=CC(=O)C(=NOC(=O)C3=CC=CC=C3)C2=O","CWJQZXAZDYVZSW-CTZCZRIESA-N","9572052",NA,"PDBC48093","694214","Present"
-"NSC694221","","","","","","","","","","","","","","","","","","","","NSC694221","","C1=CC=C(C=C1)C2=CN=C(N=C2)N=[N+](C3=NC=C(C=N3)C4=CC=CC=C4)[O-]","CPYUHZWAXRNZNN-OCEACIFDSA-N","5897299",NA,"PDBC48094","694221","Present"
-"NSC694231","","","","","","","","","","","","","","","","","","","","NSC694231","","CC(=O)OCSC(=S)NC1=NN=C(N1C(=S)SCC(=O)OC)NC(=S)SCC(=O)OC","UVFBJHQYFXCMHA-UHFFFAOYSA-N","3370703",NA,"PDBC48095","694231","Present"
-"NSC694237","","","","","","","","","","","","","","","","","","","","NSC694237","","C1=CC=C2C(=C1)C3=NC4=CC=C(C=C4)C5=NC6=C(O5)C=C(C=C6)N=C7C8=CC=CC=C8C(=NC9=CC1=C(C=C9)OC(=N1)C1=CC=C(C=C1)N=C2N3)N7","YGMHXENNAOMQMY-UHFFFAOYSA-N","135489900",NA,"PDBC48096","694237","Present"
-"NSC694256","","","","","","","","","","","","","","","","","","","","NSC694256","","CN1C2=CC=CC=C2N=C1C(C#N)C3=C(C=CC=N3)[N+](=O)[O-]","KTJOWQZBNLVKRR-SNVBAGLBSA-N","6712513",NA,"PDBC48097","694256","Present"
-"NSC694258","","","","","","","","","","","","","","","","","","","","NSC694258","","CC(C1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2Cl","YIMHKHSVZDUGDK-GFCCVEGCSA-N","6712514",NA,"PDBC48098","694258","Present"
-"NSC694264","","","","","","","","","","","","","","","","","","","","NSC694264","","C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=C(C=CC=N3)[N+](=O)[O-]","GSVVNAZQOZTAKL-SECBINFHSA-N","6712519",NA,"PDBC48099","694264","Present"
-"NSC694273","","","","","","","","","","","","","","","","","","","","NSC694273","","C1=CC=C2C(=C1)C(=NC3=C(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N23)C(=O)O)N","AOURIGIYGBHRPR-UHFFFAOYSA-N","393029",NA,"PDBC48100","694273","Present"
-"NSC694277","","","","","","","","","","","","","","","","","","","","NSC694277","","C1=CC=NC(=C1)C(C#N)C2=C(C=CC=N2)[N+](=O)[O-]","QIJWZKVYVHEKPL-VIFPVBQESA-N","5539264",NA,"PDBC48101","694277","Present"
-"NSC694281","","","","","","","","","","","","","","","","","","","","NSC694281","","CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)NCCC(C)C","SRVFFFJZQVENJC-TTZKSVMKSA-N","393035",NA,"PDBC48102","694281","Present"
-"NSC694452","","","","","","","","","","","","","","","","","","","","NSC694452","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(CCOC)CCOC)N.Cl","PQQMLIZJYVMQBF-UHFFFAOYSA-N","393064",NA,"PDBC48103","694452","Present"
-"NSC694522","","","","","","","","","","","","","","","","","","","","NSC694522","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCCCCN)OCCCN)C.Cl","VYLKOWYCOYIVME-UHFFFAOYSA-N","393122",NA,"PDBC48104","694522","Present"
-"NSC694529","","","","","","","","","","","","","","","","","","","","NSC694529","","CC1(C2CC1C3=CC4=C(C=C3C2)N=C5N4C=CC=C5)C","LKOQMXPWPPBWMA-JSGCOSHPSA-N","6712525",NA,"PDBC48105","694529","Present"
-"NSC694562","","","","","","","","","","","","","","","","","","","","NSC694562","","CN(C)CCCNC1=NN=C(C2=C1C(=O)C3=C(N2)C=CS3)NCCCN(C)C.Cl","UAVQAAICQXBGRY-UHFFFAOYSA-N","5469943",NA,"PDBC48106","694562","Present"
-"NSC694568","","","","","","","","","","","","","","","","","","","","NSC694568","","COC(=O)C=C1C(=NC2=CC=CC=C2)OC3(S1)C4CC5CC(C4)CC3C5","DFIFNAVCWFDBBT-OUCYFQBSSA-N","5469945",NA,"PDBC48107","694568","Present"
-"NSC694667","","","","","","","","","","","","","","","","","","","","NSC694667","","CN1C2=CC=CC=C2C3(C1=O)CCC4(C=C3)OCCO4","UHYPBRJQOHSTQE-OAHLLOKOSA-N","393179",NA,"PDBC48108","694667","Present"
-"NSC694669","","","","","","","","","","","","","","","","","","","","NSC694669","","C1CC2(C=CC13COC4=CC=CC=C34)OCCO2","IGESBSOOOYPSQZ-AWEZNQCLSA-N","393181",NA,"PDBC48109","694669","Present"
-"NSC694676","","","","","","","","","","","","","","","","","","","","NSC694676","","CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(C=C2)C4=CC=CC=C4N(C3=O)C","KRXZDPWUKGSUHU-BCIXFCFJSA-N","9572053",NA,"PDBC48110","694676","Present"
-"NSC694689","","","","","","","","","","","","","","","","","","","","NSC694689","","CC(C)[Si](C(C)C)(C(C)C)OCC=C(CC(OC)OC)C(=O)N(C1=CC=CC=C1I)C(=O)OC(C)(C)C","JLYABRYFXHLECO-JWGURIENSA-N","5469955",NA,"PDBC48111","694689","Present"
-"NSC694691","","","","","","","","","","","","","","","","","","","","NSC694691","","CC(C)[Si](C(C)C)(C(C)C)OCC=C(CC(OC)OC)C(=O)N(COCC[Si](C)(C)C)C1=CC=CC=C1I","FVISWLOLSZJOSN-XYGWBWBKSA-N","5469956",NA,"PDBC48112","694691","Present"
-"NSC694768","","","","","","","","","","","","","","","","","","","","NSC694768","","CN1C(=O)C2=C(NC3C(N2)C(C(CO3)O)O)N=C1OC","LAAIYQXSCIDRBU-CCZCSHHHSA-N","393221",NA,"PDBC48113","694768","Present"
-"NSC694769","","","","","","","","","","","","","","","","","","","","NSC694769","","CC(=O)OC1COC2C(C1OC(=O)C)NC3=C(N2)N=C(N(C3=O)C)OC","MEFUMEXYXLGWPT-FIQUKUQUSA-N","393222",NA,"PDBC48114","694769","Present"
-"NSC694770","","","","","","","","","","","","","","","","","","","","NSC694770","","CN1C(=O)C2=NC(=CN=C2N=C1OC)C(C(CO)O)O","OFKAQGDYWVQRHP-HTRCEHHLSA-N","6712526",NA,"PDBC48115","694770","Present"
-"NSC694771","","","","","","","","","","","","","","","","","","","","NSC694771","","CC(=O)OCC(C(C1=CN=C2C(=N1)C(=O)N(C(=N2)OC)C)OC(=O)C)OC(=O)C","CASQFHYYRFEOEQ-TZMCWYRMSA-N","10938418",NA,"PDBC48116","694771","Present"
-"NSC694851","","","","","","","","","","","","","","","","","","","","NSC694851","","CC(C)CC(CN(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C","PDCFDTANXPAHPY-SDHOMARFSA-N","393224",NA,"PDBC48117","694851","Present"
-"NSC694852","","","","","","","","","","","","","","","","","","","","NSC694852","","CC(C)CC(C(=O)N1CCCC1CN(C(C)C)C(=O)NCC(=O)NC)NC(=O)OC(C)(C)C","VRRQDYDAUUDDSH-ROUUACIJSA-N","393225",NA,"PDBC48118","694852","Present"
-"NSC694855","","","","","","","","","","","","","","","","","","","","NSC694855","","CNC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC","SICDEQZNPPKOGP-VMPREFPWSA-N","393228",NA,"PDBC48119","694855","Present"
-"NSC694857","","","","","","","","","","","","","","","","","","","","NSC694857","","CC(C)(C)OC(=O)NCCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC","OGPHIORATDELJV-FQEVSTJZSA-N","393230",NA,"PDBC48120","694857","Present"
-"NSC694862","","","","","","","","","","","","","","","","","","","","NSC694862","","COC(=O)C(CC1=CC=CC=C1)NC(=O)NCCN(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)OC)C(=O)NC(CC3=CC=CC=C3)C(=O)OC","SJAXSALEORHOEN-CHQNGUEUSA-N","393235",NA,"PDBC48121","694862","Present"
-"NSC694866","","","","","","","","","","","","","","","","","","","","NSC694866","","COC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCCCN(CCC#N)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)CCC#N","WWZFCEIILATGFI-NSOVKSMOSA-N","393239",NA,"PDBC48122","694866","Present"
-"NSC694868","","","","","","","","","","","","","","","","","","","","NSC694868","","CCN(CCCN(CC)C(=O)NC(CC1=CC=CC=C1)C(=O)NC)C(=O)NC(CC2=CC=CC=C2)C(=O)NC","VAZQOWUWGHSGEI-DQEYMECFSA-N","393241",NA,"PDBC48123","694868","Present"
-"NSC694869","","","","","","","","","","","","","","","","","","","","NSC694869","","CC(C1=CC=CC=C1)NC(=O)NC(CCSC)C(=O)OC","HTPMWHOCBCQXOD-YPMHNXCESA-N","393242",NA,"PDBC48124","694869","Present"
-"NSC694870","","","","","","","","","","","","","","","","","","","","NSC694870","","CC(C1=CC=CC=C1)NC(=O)NC(COC(C)(C)C)C(=O)OC","QWKUMJVEXZYAAL-OCCSQVGLSA-N","393243",NA,"PDBC48125","694870","Present"
-"NSC694871","","","","","","","","","","","","","","","","","","","","NSC694871","","CCOC(=O)CCC(C(=O)OCC)NC(=O)NC(C)C1=CC=CC=C1","HXLPDUGQOKOPOS-HIFRSBDPSA-N","393244",NA,"PDBC48126","694871","Present"
-"NSC694872","","","","","","","","","","","","","","","","","","","","NSC694872","","CCC(C)C(C(=O)OC)NC(=O)NC(C)C1=CC=CC=C1","VJCUPKUYQOYEMO-AOUZGSJDSA-N","393245",NA,"PDBC48127","694872","Present"
-"NSC694877","","","","","","","","","","","","","","","","","","","","NSC694877","","COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CCN(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C(=O)NC(CC4=CC=CC=C4)C(=O)OC","RJTUJTKPRWVDSE-ZDCRTTOTSA-N","393250",NA,"PDBC48128","694877","Present"
-"NSC694878","","","","","","","","","","","","","","","","","","","","NSC694878","","COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCCN(CCCN(CCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C(=O)NC(CC4=CC=CC=C4)C(=O)OC","NIWBXDMHXFUIER-KVBYWJEESA-N","393251",NA,"PDBC48129","694878","Present"
-"NSC694915","","","","","","","","","","","","","","","","","","","","NSC694915","","CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C)CC=C","PDZQQWOKWNFHNM-VURPSTOHSA-N","393265",NA,"PDBC48130","694915","Present"
-"NSC694956","","","","","","","","","","","","","","","","","","","","NSC694956","","CCOC(=O)C1=CC=C(N1C)C(=O)C(=C2CCCN2C)C(=O)C","MRENBQFSAWGXOY-NTCAYCPXSA-N","5469964",NA,"PDBC48131","694956","Present"
-"NSC694958","","","","","","","","","","","","","","","","","","","","NSC694958","","CC(=CC(=O)OC)C=CCOC1CCCCO1","PAVIZGYIHARLFQ-GWZUCBFCSA-N","5469965",NA,"PDBC48132","694958","Present"
-"NSC694962","","","","","","","","","","","","","","","","","","","","NSC694962","","CCOC(=O)C1=CC(=C(N1)C(=O)C=C(C)N)C2CCN(C2=O)C3=CC=CC=C3","HTWUULMENCKCIQ-QBFSEMIESA-N","5469967",NA,"PDBC48133","694962","Present"
-"NSC694963","","","","","","","","","","","","","","","","","","","","NSC694963","","CCOC(=O)C=C(C=CCOC1CCCCO1)C2=CC=CC=C2","CLHXUNDTUBFBEY-GEJPQOJYSA-N","5469968",NA,"PDBC48134","694963","Present"
-"NSC694964","","","","","","","","","","","","","","","","","","","","NSC694964","","CCCCC(=CC(=O)OCC)C=CCOC1CCCCO1","AFCHUCZBASXBHE-VRFDNOBASA-N","5469969",NA,"PDBC48135","694964","Present"
-"NSC694968","","","","","","","","","","","","","","","","","","","","NSC694968","","CCOC(=O)C1=CC=C(N1C)C(=O)C(=C2CCCN2C)C(=O)OC(C)(C)C","ANMZQINYEMTIBV-SSZFMOIBSA-N","5469970",NA,"PDBC48136","694968","Present"
-"NSC694969","","","","","","","","","","","","","","","","","","","","NSC694969","","CCOC(=O)C(=C1CCCN1C)C(=O)C2=CC=CN2","SKQUHBTXWAZGHB-QXMHVHEDSA-N","5469971",NA,"PDBC48137","694969","Present"
-"NSC694989","","","","","","","","","","","","","","","","","","","","NSC694989","","COC1=CC2=C(C=C1)NC3=C2CC(=O)N4CCCC(C4)CC35OCCCO5","JTDFYZSMHGWPAH-AWEZNQCLSA-N","393324",NA,"PDBC48138","694989","Present"
-"NSC695180","","","","","","","","","","","","","","","","","","","","NSC695180","","CC12C3C4C=C(C=C3OC5=CC(=CC(=C51)OC6=C2C(=CC(=C6)NC(=O)C(=O)NCC7=CN=C(C=C7)C8=CC=CC=N8)O4)NC(=O)C(=O)NCC9=CN=C(C=C9)C1=CC=CC=N1)NC(=O)C(=O)NCC1=CN=C(C=C1)C1=CC=CC=N1","PUTLPIFJHKJPBF-MSRNMEDVSA-N","16129926",NA,"PDBC48139","695180","Present"
-"NSC695204","","","","","","","","","","","","","","","","","","","","NSC695204","","CC1(CC1C(=O)N(C)OC)CO","BIDYYUFGTFYOGK-SVRRBLITSA-N","6712533",NA,"PDBC48140","695204","Present"
-"NSC695205","","","","","","","","","","","","","","","","","","","","NSC695205","","CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3CC3(C)CO","CAXHOVNOQBNYSW-PZPSRYQVSA-N","393373",NA,"PDBC48141","695205","Present"
-"NSC695206","","","","","","","","","","","","","","","","","","","","NSC695206","","CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3CC3(C)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","QRKRSUULSMVREG-NBCYMOSYSA-N","393374",NA,"PDBC48142","695206","Present"
-"NSC695207","","","","","","","","","","","","","","","","","","","","NSC695207","","CC1=CCC(C(=O)CC1)CC(C#CCCCC2OCCO2)O[Si](C(C)C)(C(C)C)C(C)C","RYYKMHUDIBFBDK-RPBOFIJWSA-N","393375",NA,"PDBC48143","695207","Present"
-"NSC695208","","","","","","","","","","","","","","","","","","","","NSC695208","","CCOC(=O)C(C(C(=O)OCC)O)NC(=O)OC(C)(C)C","VZTHIICJZUVGAH-DTWKUNHWSA-N","393376",NA,"PDBC48144","695208","Present"
-"NSC695210","","","","","","","","","","","","","","","","","","","","NSC695210","","CCC1C(OC(O1)CCCOC(=O)C(C)(C)C)C=C","BZIPUBNPIGTPFF-OTTFEQOBSA-N","393377",NA,"PDBC48145","695210","Present"
-"NSC695211","","","","","","","","","","","","","","","","","","","","NSC695211","","CCC(C(C=C)OCOCC[Si](C)(C)C)OC(CCCOC(=O)C(C)(C)C)OC","UYGOGFNAGUHIQD-LEAGNCFPSA-N","393378",NA,"PDBC48146","695211","Present"
-"NSC695217","","","","","","","","","","","","","","","","","","","","NSC695217","","C1CC2C(CC(O2)COC(=O)C3=CC=CC=C3)C(=O)C1","MWKFDNJGHWIIIQ-VNHYZAJKSA-N","393384",NA,"PDBC48147","695217","Present"
-"NSC695220","","","","","","","","","","","","","","","","","","","","NSC695220","","C1CC2C(CC(O2)COC(=O)C3=CC=CC=C3)OC(=O)C1","KASFDCSIVMCIEW-MGPQQGTHSA-N","393387",NA,"PDBC48148","695220","Present"
-"NSC695221","","","","","","","","","","","","","","","","","","","","NSC695221","","C1C=CC(=O)OC2C1OC(C2)COC(=O)CC3=CC=CC=C3","FRZQHJPRRUOPGN-RBSFLKMASA-N","393388",NA,"PDBC48149","695221","Present"
-"NSC695223","","","","","","","","","","","","","","","","","","","","NSC695223","","COCOCC1CCCN1CN2CCCC2COCOC","KCAAXPAGXUXNTG-MLCCFXAWSA-N","393390",NA,"PDBC48150","695223","Present"
-"NSC695224","","","","","","","","","","","","","","","","","","","","NSC695224","","C1CC2C(CC(O2)COC(=O)C3=CC=CC=C3)C(=O)OC1","MKVBFEUUYHGDGI-MGPQQGTHSA-N","393391",NA,"PDBC48151","695224","Present"
-"NSC695225","","","","","","","","","","","","","","","","","","","","NSC695225","","C1CC2C(CC(O2)COCC3=CC=CC=C3)C(=O)C1","FQJMYRXJHSNLLJ-IJEWVQPXSA-N","393392",NA,"PDBC48152","695225","Present"
-"NSC695226","","","","","","","","","","","","","","","","","","","","NSC695226","","C1CC2C(CC(O2)COCC3=CC=CC=C3)C(=O)OC1","SXANXRWSWMIPDT-RBSFLKMASA-N","393393",NA,"PDBC48153","695226","Present"
-"NSC695228","","","","","","","","","","","","","","","","","","","","NSC695228","","CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1NC(=O)OCC(Cl)(Cl)Cl)C(C2=O)CC=C","XIGYJVAPBLQYPP-VQQMMKBISA-N","6712535",NA,"PDBC48154","695228","Present"
-"NSC695229","","","","","","","","","","","","","","","","","","","","NSC695229","","CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1NC(=O)OC)CC2=O","CVYVBLPISFBMMT-GPMSIDNRSA-N","6712536",NA,"PDBC48155","695229","Present"
-"NSC695233","","","","","","","","","","","","","","","","","","","","NSC695233","","COCCC(=C)CCC1CCCCC(=C)C1O","MNXKOOGIOKCMAM-YSSOQSIOSA-N","393400",NA,"PDBC48156","695233","Present"
-"NSC695234","","","","","","","","","","","","","","","","","","","","NSC695234","","CC(=O)OC1C(CCCCC1=C)CCC(=C)CCOC","UIUDSRAYOXSVMK-ZYMOGRSISA-N","393401",NA,"PDBC48157","695234","Present"
-"NSC695362","","","","","","","","","","","","","","","","","","","","NSC695362","","C[Si](C)(C)C1=C2C(=C(C3C1CCCC3)[Si](C)(C)C)C(=O)C4=CC=CC=C4C2=O","FTVYVUNRZJVDLC-HDICACEKSA-N","393454",NA,"PDBC48158","695362","Present"
-"NSC695364","","","","","","","","","","","","","","","","","","","","NSC695364","","COCC1C(C(C(O1)N2C3C=C4CCCCC4=CC3C(=O)NC2=O)OC)OC","NCOAINMYTSTAHN-IWTAEOLZSA-N","393456",NA,"PDBC48159","695364","Present"
-"NSC695368","","","","","","","","","","","","","","","","","","","","NSC695368","","CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)C=CI","MHGHKECOHLJWOC-VURMDHGXSA-N","5470003",NA,"PDBC48160","695368","Present"
-"NSC695369","","","","","","","","","","","","","","","","","","","","NSC695369","","CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)C=CC#C[Si](C)(C)C","QXGMHAJPTMEBIH-XFFZJAGNSA-N","5470004",NA,"PDBC48161","695369","Present"
-"NSC695571","","","","","","","","","","","","","","","","","","","","NSC695571","","CC1=C2C(CC(=O)C2=C(S1)C)N.Cl","QMBMRVQIBAHFCJ-UHFFFAOYSA-N","393510",NA,"PDBC48162","695571","Present"
-"NSC695572","","","","","","","","","","","","","","","","","","","","NSC695572","","C1C(C2=C(C1=O)C=C(S2)Cl)N.Cl","QVACLWUJRHGUDQ-UHFFFAOYSA-N","393512",NA,"PDBC48163","695572","Present"
-"NSC695586","","","","","","","","","","","","","","","","","","","","NSC695586","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+]4(CCOCC4)CC5=CC=C(C=C5)[N+](=O)[O-])N.Cl.[Cl-]","RSFXRSJCMSAOBN-UHFFFAOYSA-N","393528",NA,"PDBC48164","695586","Present"
-"NSC695587","","","","","","","","","","","","","","","","","","","","NSC695587","","CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](CCOC)(CCOC)CC4=CC=C(C=C4)[N+](=O)[O-])N.Cl.[Cl-]","XWRDBHMRLMAZRJ-UHFFFAOYSA-N","393530",NA,"PDBC48165","695587","Present"
-"NSC695590","","","","","","","","","","","","","","","","","","","","NSC695590","","CC(C(=O)NC1=CC2=C(C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl)C5=CC=CC=C51)NC6=C(C=C(C=C6[N+](=O)[O-])C(=O)NCCN(C)C)[N+](=O)[O-].Cl","PZMGZKZFKZXZAO-UHFFFAOYSA-N","393534",NA,"PDBC48166","695590","Present"
-"NSC695601","","","","","","","","","","","","","","","","","","","","NSC695601","","COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCOCC4)CN5CCCC5=O.Cl","DHUHYOTYMOKHCC-UHFFFAOYSA-N","63987",NA,"PDBC48167","695601","Present"
-"NSC695648","","","","","","","","","","","","","","","","","","","","NSC695648","","C1C(OS(=O)O1)CCCl","JQXQMWFXAIUQON-HBSVBABPSA-N","6712539",NA,"PDBC48168","695648","Present"
-"NSC695649","","","","","","","","","","","","","","","","","","","","NSC695649","","C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3CC(OC3CO)N4C=CC(=NC4=O)N)O","GMUHMSYUIHADOJ-UHFFFAOYSA-N","6858086",NA,"PDBC48169","695649","Present"
-"NSC69577","","","","","","","","","","","","","","","","","","","","NSC69577","","CC1=CC(=O)N(C1=O)C2=CC=CC3=C2C=CC=C3N4C(=O)C=C(C4=O)C","YNOTYYAAHAIEIG-UHFFFAOYSA-N","250323",NA,"PDBC48170","69577","Present"
-"NSC695927","","","","","","","","","","","","","","","","","","","","NSC695927","","CC(=O)O.C1CNCC=C1C2=C(N=C(NC2=O)N)N","CWUHEUSWGHJTCI-UHFFFAOYSA-N","135505163",NA,"PDBC48171","695927","Present"
-"NSC695928","","","","","","","","","","","","","","","","","","","","NSC695928","","CC(=O)O.CN1CCC(=CC1)C2=C(N=C(NC2=O)N)N","QXTWOAPKWGAEEP-UHFFFAOYSA-N","135505164",NA,"PDBC48172","695928","Present"
-"NSC695929","","","","","","","","","","","","","","","","","","","","NSC695929","","CC(=O)O.C1CN(CC=C1C2=C(N=C(NC2=O)N)N)CC3=CC=CC=C3","MSHXRPIBXJQRHG-UHFFFAOYSA-N","135505165",NA,"PDBC48173","695929","Present"
-"NSC695935","","","","","","","","","","","","","","","","","","","","NSC695935","","CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC(=O)NCCCN(C)CCCNC5=NC=CC6=C(C7=C(C(=C65)C)C8=C(N7)C=CC(=C8)OC)C.C(=O)(C(F)(F)F)O","FNSNTHSFKIOTFN-UHFFFAOYSA-N","393667",NA,"PDBC48174","695935","Present"
-"NSC695939","","","","","","","","","","","","","","","","","","","","NSC695939","","CN(CCCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O)CCCNC5=C6C=C(C=CC6=NC7=C5C=CC(=C7)Cl)OC.Cl","HGVVNYVXBUQGHS-UHFFFAOYSA-N","438998",NA,"PDBC48175","695939","Present"
-"NSC695940","","","","","","","","","","","","","","","","","","","","NSC695940","","C1CN(CCN1CCCN)CCCNC2=C3C4=C(C=C2)N=CN4C5=CC=CC=C5C3=O.Cl","ZRMSKSPHYHJIRW-UHFFFAOYSA-N","439000",NA,"PDBC48176","695940","Present"
-"NSC695944","","","","","","","","","","","","","","","","","","","","NSC695944","","C1CN(CCN1CCCN)CCCNC2=C3C4=C(C=C2)N=NN4C5=CC=CC=C5C3=O.Cl","CTALVHTYFRMXKH-UHFFFAOYSA-N","439008",NA,"PDBC48177","695944","Present"
-"NSC696129","","","","","","","","","","","","","","","","","","","","NSC696129","","CN1C(=CC=C1[N+](=O)[O-])C[N+](C)(C)C2=CC3=C(C(CN3C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)C6=CC=CC=C62.C(F)(F)(F)S(=O)(=O)[O-]","VIPVPBDCYIGZBF-UHFFFAOYSA-N","393694",NA,"PDBC48178","696129","Present"
-"NSC696130","","","","","","","","","","","","","","","","","","","","NSC696130","","CC(CCC(=O)C(=C)C)C1C(CC2(C1(CCC34C2CC(C5C3(C4)CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)OC7C(C(C(C(O7)CO)O)O)O","KSQMUXSCAWKGQO-XEYQZJDCSA-N","393696",NA,"PDBC48179","696130","Present"
-"NSC696237","","","","","","","","","","","","","","","","","","","","NSC696237","","COC(C1C(C(CO1)N2C=NC3=C(N=CN=C32)N)O)OC","XYDALHCGTHICBK-NBEYISGCSA-N","393719",NA,"PDBC48180","696237","Present"
-"NSC696238","","","","","","","","","","","","","","","","","","","","NSC696238","","COC(C1C(C(CO1)N2C=CC(=O)NC2=O)O)OC","HTHBYSBMHGTQIY-NBEYISGCSA-N","393720",NA,"PDBC48181","696238","Present"
-"NSC696239","","","","","","","","","","","","","","","","","","","","NSC696239","","COC(C1C(C(CO1)O)N2C=NC3=C(N=CN=C32)N)OC","JPIVYOQPBJQSSH-BWVDBABLSA-N","393721",NA,"PDBC48182","696239","Present"
-"NSC696240","","","","","","","","","","","","","","","","","","","","NSC696240","","C1C(C(C(O1)CO)O)N2C=NC3=C2N=CNC3=O","VUDZUOKPXFETKY-VMHSAVOQSA-N","135489906",NA,"PDBC48183","696240","Present"
-"NSC696241","","","","","","","","","","","","","","","","","","","","NSC696241","","C1C(C(C(O1)CO)O)N2C=CC(=NC2=O)N","YQZIOPLVSOBQKZ-VMHSAVOQSA-N","393723",NA,"PDBC48184","696241","Present"
-"NSC696255","","","","","","","","","","","","","","","","","","","","NSC696255","","CC1(CC(C(CC1C=CCl)Br)(C)Cl)Br","FMMSUHFXIOENCO-GWRMMKRJSA-N","5470013",NA,"PDBC48185","696255","Present"
-"NSC696256","","","","","","","","","","","","","","","","","","","","NSC696256","","CN(C)C(=NC(=NC1=CC(=CC=C1)Cl)N)N.Cl","HCXMNPLIHUUHHU-UHFFFAOYSA-N","9572055",NA,"PDBC48186","696256","Present"
-"NSC696357","","","","","","","","","","","","","","","","","","","","NSC696357","","CC1(OC(C(O1)C(CO)O)C2NCCS2)C","COLGRBAFKIMOOR-KHONBHQKSA-N","393743",NA,"PDBC48187","696357","Present"
-"NSC696358","","","","","","","","","","","","","","","","","","","","NSC696358","","C1CSC2N1CC(C(C2O)O)O","OLUXKDYGHOSACZ-XSNFGBRTSA-N","393744",NA,"PDBC48188","696358","Present"
-"NSC696359","","","","","","","","","","","","","","","","","","","","NSC696359","","C1CSC2N1C(C(C2O)O)CO","DOSZPBXAKGQANN-XSNFGBRTSA-N","393745",NA,"PDBC48189","696359","Present"
-"NSC696360","","","","","","","","","","","","","","","","","","","","NSC696360","","CC1(OC2C(CN3CCSC3C2O1)O)C","YMPIJENZXNREPV-BCZLUZIISA-N","393746",NA,"PDBC48190","696360","Present"
-"NSC696362","","","","","","","","","","","","","","","","","","","","NSC696362","","COC1=C(C=C(C=C1)CC2CC3=CC=CC=C3CCN2)OC.Cl","VFKBKNMMXALYLE-UHFFFAOYSA-N","393748",NA,"PDBC48191","696362","Present"
-"NSC696363","","","","","","","","","","","","","","","","","","","","NSC696363","","CC1=CC=C(C=C1)S(=O)C(C)C(C(=O)OC)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","NSEIZLQQOYDXGX-JXPLTHGPSA-N","393750",NA,"PDBC48192","696363","Present"
-"NSC696364","","","","","","","","","","","","","","","","","","","","NSC696364","","CC1=CC=C(C=C1)S(=O)CC(C(F)F)(NC(=O)OCC2=CC=CC=C2)SC3=CC=CC=C3","SKYMMKOSWOBGQS-RUBXLXHKSA-N","393751",NA,"PDBC48193","696364","Present"
-"NSC696365","","","","","","","","","","","","","","","","","","","","NSC696365","","CC1=CC=C(C=C1)S(=O)CC2(C(=O)NC(=O)N2)C(F)F","WJPJYWIFOIGGJE-SVZXGPMESA-N","393752",NA,"PDBC48194","696365","Present"
-"NSC696366","","","","","","","","","","","","","","","","","","","","NSC696366","","CC1=CC=C(C=C1)SCC2(C(=O)NC(=O)N2)C(F)F","ZQUZFOUODQPKTN-LBPRGKRZSA-N","393753",NA,"PDBC48195","696366","Present"
-"NSC696367","","","","","","","","","","","","","","","","","","","","NSC696367","","C1=CC=C(C=C1)COC(=O)NC(CO)(C#N)C(F)F","SNIKHGSVKHKNRT-GFCCVEGCSA-N","393754",NA,"PDBC48196","696367","Present"
-"NSC696368","","","","","","","","","","","","","","","","","","","","NSC696368","","CC(C(C(=O)OC)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)O","MKZPUKDVJBEPSR-ZANVPECISA-N","393755",NA,"PDBC48197","696368","Present"
-"NSC696369","","","","","","","","","","","","","","","","","","","","NSC696369","","CC1=CC=C(C=C1)SC(C=O)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","AQESYUSLGHYKHF-QGZVFWFLSA-N","393756",NA,"PDBC48198","696369","Present"
-"NSC696395","","","","","","","","","","","","","","","","","","","","NSC696395","","C1=CN(C(=O)N=C1NCCCCC(C(=O)O)N)C2C(C(C(O2)CO)O)O.[Na+]","BWTPMWJQVBACBY-UHFFFAOYSA-N","54599678",NA,"PDBC48199","696395","Present"
-"NSC696459","","","","","","","","","","","","","","","","","","","","NSC696459","","C1CNCCN(CCNCCN1)CC2=CC(=CC=C2)CN3CCNCCNCCNCC3.C(=O)(C(F)(F)F)O","LNRZHQLHNCBPMU-UHFFFAOYSA-N","393774",NA,"PDBC48200","696459","Present"
-"NSC696468","","","","","","","","","","","","","","","","","","","","NSC696468","","CSC1=C2C(=CS1)CCCC2=NNC(=O)N","DNJOOGLXDIPGJJ-KPKJPENVSA-N","5493568",NA,"PDBC48201","696468","Present"
-"NSC696675","","","","","","","","","","","","","","","","","","","","NSC696675","","CC(C(=O)OC)NC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=NC3=CC=CC=C3S2","NPKQWUZEAKGBJI-BLLLJJGKSA-N","393841",NA,"PDBC48202","696675","Present"
-"NSC696845","","","","","","","","","","","","","","","","","","","","NSC696845","","CCOP(=O)(CN1CCNCCN(CCNCC1)CP(=O)(O)OCC)O.[Na+]","WVVNNJUZENAMMT-UHFFFAOYSA-N","54608966",NA,"PDBC48203","696845","Present"
-"NSC696890","","","","","","","","","","","","","","","","","","","","NSC696890","","C1CC2C(C2(C#N)C#N)C(=C1)SC3=CC=CC=C3","ZQXLMGBGEAQSSR-TZMCWYRMSA-N","393917",NA,"PDBC48204","696890","Present"
-"NSC696893","","","","","","","","","","","","","","","","","","","","NSC696893","","CC1=CC(=C(C(=C1)CN2CCN(CCN(CC2)C(C)C)C(C)C)O)C.[Na+]","JSTPVRNQLWAXEQ-UHFFFAOYSA-N","54608967",NA,"PDBC48205","696893","Present"
-"NSC697065","","","","","","","","","","","","","","","","","","","","NSC697065","","C1COCCN1C2=[N+]3C=CC=CC3=C4N2C5=CC=CC=C5N6C4=C7C=CC=C[N+]7=C6N8CCOCC8.[O-]Cl(=O)(=O)=O","CPVPGSNOADQNKN-UHFFFAOYSA-M","393978",NA,"PDBC48206","697065","Present"
-"NSC697066","","","","","","","","","","","","","","","","","","","","NSC697066","","C1CCN(C1)C2=[N+]3C=CC=CC3=C4N2C5=CC=CC=C5N6C4=C7C=CC=C[N+]7=C6N8CCCC8.[O-]Cl(=O)(=O)=O","PMMBJSPTYSQCLA-UHFFFAOYSA-M","393980",NA,"PDBC48207","697066","Present"
-"NSC697067","","","","","","","","","","","","","","","","","","","","NSC697067","","C1CCN(C1)C2=[N+]3C=CC=CC3=C4N2C5=C(C=C(C=C5)[N+](=O)[O-])N6C4=C7C=CC=C[N+]7=C6N8CCCC8.[O-]Cl(=O)(=O)=O","MDSFQLCLUWKKRO-UHFFFAOYSA-M","5470039",NA,"PDBC48208","697067","Present"
-"NSC697120","","","","","","","","","","","","","","","","","","","","NSC697120","","CC1=C(C(=C(C2=NC3=CC=CC=C3N=C12)C(C)CCC=C(C)C)O)O","DLURXLKBFFIUFB-CYBMUJFWSA-N","135489908",NA,"PDBC48209","697120","Present"
-"NSC697121","","","","","","","","","","","","","","","","","","","","NSC697121","","CC1=C2C(=C(C(=C1O)O)C(C)CCC=C(C)C)OC(=N2)C(=O)OC","AKNYPXDXJCERQG-SNVBAGLBSA-N","394004",NA,"PDBC48210","697121","Present"
-"NSC697122","","","","","","","","","","","","","","","","","","","","NSC697122","","CC1=C2C(C(=C(C1O)O)C(C)CCC=C(C)C)OC(=O)C(=N2)C3=CC=CC=C3","HQOVFKOOADNLBT-FEEUCNAYSA-N","394005",NA,"PDBC48211","697122","Present"
-"NSC697123","","","","","","","","","","","","","","","","","","","","NSC697123","","CC1=C2C(=C(C(=C1O)OC3=C(C(=C(C(=C3C)O)O)C(C)CCC=C(C)C)O)C(C)CCC=C(C)C)OC(=N2)C(=O)OC","BAUIBCUWGCLPMH-RTBURBONSA-N","394006",NA,"PDBC48212","697123","Present"
-"NSC697126","","","","","","","","","","","","","","","","","","","","NSC697126","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2I","NAKPWZZJTWINPK-CYBMUJFWSA-N","394009",NA,"PDBC48213","697126","Present"
-"NSC697127","","","","","","","","","","","","","","","","","","","","NSC697127","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2F","CXKMYZWMYFJLGU-CYBMUJFWSA-N","394010",NA,"PDBC48214","697127","Present"
-"NSC697128","","","","","","","","","","","","","","","","","","","","NSC697128","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC","NFWQFZQRNDHFKZ-SNVBAGLBSA-N","394011",NA,"PDBC48215","697128","Present"
-"NSC697129","","","","","","","","","","","","","","","","","","","","NSC697129","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2","OFKGQZQLTIBGNK-CQSZACIVSA-N","394012",NA,"PDBC48216","697129","Present"
-"NSC697130","","","","","","","","","","","","","","","","","","","","NSC697130","","CC1=C2C(=C(C(=O)C1=O)C(C)CCC=C(C)C)NC3=CC=CC=C3S2","XZFMWPWVRSVBLU-CYBMUJFWSA-N","394013",NA,"PDBC48217","697130","Present"
-"NSC697131","","","","","","","","","","","","","","","","","","","","NSC697131","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)NC2=CC=CC=C2F)O","HLKGQWXKHPBOKQ-CYBMUJFWSA-N","394014",NA,"PDBC48218","697131","Present"
-"NSC697132","","","","","","","","","","","","","","","","","","","","NSC697132","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2Cl","JZMVNTXXOFHHNM-CYBMUJFWSA-N","394015",NA,"PDBC48219","697132","Present"
-"NSC697133","","","","","","","","","","","","","","","","","","","","NSC697133","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)NC2=CC=CC=C2)O","UKXWQTLURAIENC-CQSZACIVSA-N","394016",NA,"PDBC48220","697133","Present"
-"NSC697135","","","","","","","","","","","","","","","","","","","","NSC697135","","CC1=C(C(=C(C2=NC=CN=C12)C(C)CCC=C(C)C)O)O","YWIQJJHHRBCJNU-LLVKDONJSA-N","135489909",NA,"PDBC48221","697135","Present"
-"NSC697136","","","","","","","","","","","","","","","","","","","","NSC697136","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2Br","GXLYXTXAAVZOPJ-CYBMUJFWSA-N","394018",NA,"PDBC48222","697136","Present"
-"NSC697137","","","","","","","","","","","","","","","","","","","","NSC697137","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC(C)C2=CC=CC=C2","LLAGYTNITMKWNL-NVXWUHKLSA-N","5470049",NA,"PDBC48223","697137","Present"
-"NSC697138","","","","","","","","","","","","","","","","","","","","NSC697138","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)NC2=CC=CC=C2Cl)O","ALSWNXRUMWTVEJ-CYBMUJFWSA-N","394020",NA,"PDBC48224","697138","Present"
-"NSC697139","","","","","","","","","","","","","","","","","","","","NSC697139","","CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)C2=C(C(=O)N(C(=O)N2C)C)I","MBPOPELBPLZGTG-LLVKDONJSA-N","394021",NA,"PDBC48225","697139","Present"
-"NSC697192","","","","","","","","","","","","","","","","","","","","NSC697192","","C1=CC=C2C(=C1)C=CC(=C2C3N(C(=O)C(=CC4=CC(=C(C=C4)O)O)S3)NC(=O)CCCCCCCCC(=O)NN5C(SC(=CC6=CC(=C(C=C6)O)O)C5=O)C7=C(C=CC8=CC=CC=C87)O)O","GZXGZBUETAFRIH-CTQPMARESA-N","5470052",NA,"PDBC48226","697192","Present"
-"NSC697193","","","","","","","","","","","","","","","","","","","","NSC697193","","C1=CC(=CC=C1C2N(C(=O)C(=CC3=CC(=C(C=C3)O)O)S2)NC(=O)CCCCCCCCC(=O)NN4C(SC(=CC5=CC(=C(C=C5)O)O)C4=O)C6=CC=C(C=C6)Cl)Cl","KCUOUOUGPDOMNL-VJTPSNAYSA-N","5470053",NA,"PDBC48227","697193","Present"
-"NSC697194","","","","","","","","","","","","","","","","","","","","NSC697194","","COC1=C(C=C(C=C1)C=C2C(=O)N(C(S2)C3=C(C=CC4=CC=CC=C43)O)NC(=O)CCCCCCCCC(=O)NN5C(SC(=CC6=CC(=C(C=C6)OC)OC)C5=O)C7=C(C=CC8=CC=CC=C87)O)OC","FMSYHHMHOOPZRR-RQAFMBFTSA-N","5470054",NA,"PDBC48228","697194","Present"
-"NSC697195","","","","","","","","","","","","","","","","","","","","NSC697195","","COC1=C(C=C(C=C1)C=C2C(=O)N(C(S2)C3=CC=C(C=C3)Cl)NC(=O)CCCCCCCCC(=O)NN4C(SC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C6=CC=C(C=C6)Cl)OC","XCQQBOCAJBMGPS-SDOZPZOWSA-N","5470055",NA,"PDBC48229","697195","Present"
-"NSC697196","","","","","","","","","","","","","","","","","","","","NSC697196","","COC1=C(C=C(C=C1)C=C2C(=O)N(C(S2)C3=CC=CC=C3)NC(=O)CCCCCCCCC(=O)NN4C(SC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C6=CC=CC=C6)OC","AZSJLZZMBOENIG-NXRKLTDKSA-N","5470056",NA,"PDBC48230","697196","Present"
-"NSC697274","","","","","","","","","","","","","","","","","","","","NSC697274","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1","AULWDENWMBJIIQ-KDRSRITOSA-N","394134",NA,"PDBC48231","697274","Present"
-"NSC697276","","","","","","","","","","","","","","","","","","","","NSC697276","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)O)C)C)C)OC1","JAZQCVQBFDSLCR-PYZJYDEDSA-N","394136",NA,"PDBC48232","697276","Present"
-"NSC697278","","","","","","","","","","","","","","","","","","","","NSC697278","","CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)NC(CC(C)C)C(=O)O","ZLJYBKRBVGRTQA-STALNFTGSA-N","394137",NA,"PDBC48233","697278","Present"
-"NSC697279","","","","","","","","","","","","","","","","","","","","NSC697279","","CC1=C(N2C(C(C2=O)NC(=O)C(CC(C)C)N)SC1)C(=O)NC(CC3=CC=CC=C3)C(=O)O","FSEVLYDDRBWASD-NRVIRDBHSA-N","394138",NA,"PDBC48234","697279","Present"
-"NSC697280","","","","","","","","","","","","","","","","","","","","NSC697280","","CC1=C(N2C(C(C2=O)NC(=O)C(CC3=CC=CC=C3)N)SC1)C(=O)NC(CC(C)C)C(=O)O","WNXSMKUMECQHRB-NRVIRDBHSA-N","394139",NA,"PDBC48235","697280","Present"
-"NSC697372","","","","","","","","","","","","","","","","","","","","NSC697372","","CC(C)(C)C(=CC1=NC2=CC(=C(C=C2NC1=O)F)F)O","XFQDXJGLOBPTSN-WUXMJOGZSA-N","135433822",NA,"PDBC48236","697372","Present"
-"NSC697387","","","","","","","","","","","","","","","","","","","","NSC697387","","C1CCC(CC1)C2CCN(C2)C(=O)OCC(Cl)(Cl)Cl","GZKGPCKVFMKVNB-LLVKDONJSA-N","394153",NA,"PDBC48237","697387","Present"
-"NSC697389","","","","","","","","","","","","","","","","","","","","NSC697389","","C1CC(C(C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)OCC(Cl)(Cl)Cl","POJZEPVMECUQSP-QGZVFWFLSA-N","394155",NA,"PDBC48238","697389","Present"
-"NSC697392","","","","","","","","","","","","","","","","","","","","NSC697392","","CC1(COC(OC1)(CCC(=C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC)C=C)C","RQRIVXZDPYTQCP-FOWTUZBSSA-N","5470073",NA,"PDBC48239","697392","Present"
-"NSC697393","","","","","","","","","","","","","","","","","","","","NSC697393","","CC1(COC2(CCC3(CC(ON4C3C2CO4)OC5CCCCC5C(C)(C)C6=CC=CC=C6)C7=CC(=C(C=C7)OC)OC)OC1)C","JJDSNBNUKDHUNN-SIVMODHNSA-N","394159",NA,"PDBC48240","697393","Present"
-"NSC697394","","","","","","","","","","","","","","","","","","","","NSC697394","","CC1(COC(OC1)(CCC2(CC(O[N+](=C2)[O-])OC3CCCCC3C(C)(C)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C=C)C","AVYKUGCLRFEJAV-DWSSOIHDSA-N","6712559",NA,"PDBC48241","697394","Present"
-"NSC697395","","","","","","","","","","","","","","","","","","","","NSC697395","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(C2C(C4(CC3)OCC(CO4)(C)C)CO)C5=CC(=C(C=C5)OC)OC","YLJDFGHGCQPNON-WSHBGFIESA-N","394160",NA,"PDBC48242","697395","Present"
-"NSC697397","","","","","","","","","","","","","","","","","","","","NSC697397","","CN1CCC2(C1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC.Cl","AWTUIVVWCZGIAQ-QJHJCNPRSA-N","394161",NA,"PDBC48243","697397","Present"
-"NSC697398","","","","","","","","","","","","","","","","","","","","NSC697398","","CCOC(C)OC1C(=O)OCC1(C)C","XCKWOXNXPRBXHF-MQWKRIRWSA-N","6712561",NA,"PDBC48244","697398","Present"
-"NSC697400","","","","","","","","","","","","","","","","","","","","NSC697400","","CC12C3CCC1C(C(=O)N2CC3)O","LXULSPLKUUHRCA-PYHGXSLLSA-N","394164",NA,"PDBC48245","697400","Present"
-"NSC697405","","","","","","","","","","","","","","","","","","","","NSC697405","","CC1=[N+](OC(C(C1C2=CC=CC=C2)C(=O)C)OCC3=CC=CC=C3)[O-]","CVLMCNOPNZZGKF-AQNXPRMDSA-N","394168",NA,"PDBC48246","697405","Present"
-"NSC697409","","","","","","","","","","","","","","","","","","","","NSC697409","","CCC1(C=[N+](OC(C1OC(=O)C)OCC2=CC=CC=C2)[O-])CC3=CC(=C(C=C3)OC)OC","FMTZDJVSDIVRHF-HJOGWXRNSA-N","394172",NA,"PDBC48247","697409","Present"
-"NSC697410","","","","","","","","","","","","","","","","","","","","NSC697410","","CCC1(C=[N+](OC(C1OC(=O)C)OC2CCCCC2C3=CC=CC=C3)[O-])CC4=CC(=C(C=C4)OC)OC","UPXQKZKLSGNVHJ-LLUARVELSA-N","6712562",NA,"PDBC48248","697410","Present"
-"NSC697411","","","","","","","","","","","","","","","","","","","","NSC697411","","CCC1(C2CC(ON2OC(C1OC(=O)C)OCC3=CC=CC=C3)C(=O)OC)CC4=CC(=C(C=C4)OC)OC","QCUKGPWUUCBUJU-GVDCIDSWSA-N","394173",NA,"PDBC48249","697411","Present"
-"NSC697412","","","","","","","","","","","","","","","","","","","","NSC697412","","CCC1(CN(CC1OC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC(=C(C=C3)OC)OC","YNJXMDFUQGZTBG-ZEQRLZLVSA-N","6712563",NA,"PDBC48250","697412","Present"
-"NSC697473","","","","","","","","","","","","","","","","","","","","NSC697473","","C1C(=CC2C3(CC(=O)C=C3)C=CSS2)C=CC1=O","RDQDUUPMCHHTSD-CWCIKPCXSA-N","5470080",NA,"PDBC48251","697473","Present"
-"NSC697490","","","","","","","","","","","","","","","","","","","","NSC697490","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC(=C(C=C2)O)Br)C(=O)OC","LLPRWYROJYMXJJ-OALUTQOASA-N","394208",NA,"PDBC48252","697490","Present"
-"NSC697495","","","","","","","","","","","","","","","","","","","","NSC697495","","COC1=C(C=C(C=C1)CC2CN(C(CN2C(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)C5=CC=CC=C5)Br","AOZGKXYNMUOSQQ-VSGBNLITSA-N","394213",NA,"PDBC48253","697495","Present"
-"NSC697575","","","","","","","","","","","","","","","","","","","","NSC697575","","C(CN=C(N)N)C(O)(P(=O)(O)O)P(=O)(O)O.[Na+]","ICQNAVOJPMMIRR-UHFFFAOYSA-N","54608957",NA,"PDBC48254","697575","Present"
-"NSC697578","","","","","","","","","","","","","","","","","","","","NSC697578","","CC1=CC(=NC(=N1)NC(P(=O)(O)O)P(=O)(O)O)C.[Na+]","SLEGTJDEHCSZJJ-UHFFFAOYSA-N","54608955",NA,"PDBC48255","697578","Present"
-"NSC697579","","","","","","","","","","","","","","","","","","","","NSC697579","","CC1=CC(=NC(=N1)NCCC(O)(P(=O)(O)O)P(=O)(O)O)C.[Na+]","UUDTVLQFYKNUSJ-UHFFFAOYSA-N","54612524",NA,"PDBC48256","697579","Present"
-"NSC697585","","","","","","","","","","","","","","","","","","","","NSC697585","","CC1=CSC(=NC(P(=O)(O)O)P(=O)(O)O)N1C.[Na+]","XGNLSAMEAFIRRW-YJOCEBFMSA-N","54608956",NA,"PDBC48257","697585","Present"
-"NSC697586","","","","","","","","","","","","","","","","","","","","NSC697586","","CC1=CSC(=[N+]1C(P(=O)(O)O)P(=O)(O)[O-])NC23CC4CC(C2)CC(C4)C3","OCPXJNNOIZJEAZ-UHFFFAOYSA-N","394262",NA,"PDBC48258","697586","Present"
-"NSC697592","","","","","","","","","","","","","","","","","","","","NSC697592","","C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)CCN(CC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O","KXRRPOGLGYCFGO-UHFFFAOYSA-N","394267",NA,"PDBC48259","697592","Present"
-"NSC697593","","","","","","","","","","","","","","","","","","","","NSC697593","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)[N+](=NNC3=CC=C(C=C3)[N+](=O)[O-])[O-]","MLQAHGBDMCTHFY-XUTLUUPISA-N","135446393",NA,"PDBC48260","697593","Present"
-"NSC697645","","","","","","","","","","","","","","","","","","","","NSC697645","","CCOC(=O)C1CCN2C1(C(=NN(C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5","BHLDZAUGPCTKTD-LBNVMWSVSA-N","394279",NA,"PDBC48261","697645","Present"
-"NSC697646","","","","","","","","","","","","","","","","","","","","NSC697646","","C1C2C(C(=O)N(C2=O)C3=CC=CC=C3)C4(N1CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7","CNWWGBODRFEGRG-BJUSWJRTSA-N","394280",NA,"PDBC48262","697646","Present"
-"NSC697653","","","","","","","","","","","","","","","","","","","","NSC697653","","CC1(C2CC1C3=CN=C(C=C3C2C(C4C5CC(C5(C)C)C6=CN=C(C=C46)C7=CC=CC=N7)O)C8=CC=CC=N8)C","KPMHKDGOAPJAOY-CTKILJIMSA-N","394286",NA,"PDBC48263","697653","Present"
-"NSC697657","","","","","","","","","","","","","","","","","","","","NSC697657","","C1COCCN1CC2CN(C(=NC(=O)NC3=CC=CC=C3)O2)C(=O)NC4=CC=CC=C4","JEIGRPZHZAVGHD-YYDJUVGSSA-N","5897434",NA,"PDBC48264","697657","Present"
-"NSC697659","","","","","","","","","","","","","","","","","","","","NSC697659","","CC1=CN(C(=O)NC1=O)C2CC(N(O2)C)(C)CO","BFNPPVRRUGXFBD-LDYMZIIASA-N","394292",NA,"PDBC48265","697659","Present"
-"NSC697660","","","","","","","","","","","","","","","","","","","","NSC697660","","CC1=CN(C(=O)NC1=O)C2CC(N(O2)C)(C)CO","BFNPPVRRUGXFBD-GZMMTYOYSA-N","394293",NA,"PDBC48266","697660","Present"
-"NSC697677","","","","","","","","","","","","","","","","","","","","NSC697677","","CN(C)C1=CC=C(C=C1)C=C(C2NC(C(=O)O2)CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=C5","IFOLTTSPRPHBHQ-XYGWBWBKSA-N","54608961",NA,"PDBC48267","697677","Present"
-"NSC697680","","","","","","","","","","","","","","","","","","","","NSC697680","","CCC1=NC(=NC1=CC2=CC=CO2)NN=CC3=CC=CO3","OHCTVVNNYJXASH-IDMWQADZSA-N","9556339",NA,"PDBC48268","697680","Present"
-"NSC697685","","","","","","","","","","","","","","","","","","","","NSC697685","","CC(=O)OC1C#CC=CC#CCC2C1NC2=O","MCVBDEAAMOFQNB-NEQVBQRVSA-N","5470109",NA,"PDBC48269","697685","Present"
-"NSC697686","","","","","","","","","","","","","","","","","","","","NSC697686","","CC(=O)OC1C#CC=CC#CCC2C1N(C2=O)C(=O)OC(C)(C)C","ISRXILAUXSHNIP-TUNKGPMQSA-N","5470110",NA,"PDBC48270","697686","Present"
-"NSC697698","","","","","","","","","","","","","","","","","","","","NSC697698","","CCOC(=O)C=C(C)NC1=NC2=C(CCCC2)C(=C1C#N)C(=O)OC","XWIFDPIQTOKPPN-LUAWRHEFSA-N","5470111",NA,"PDBC48271","697698","Present"
-"NSC697759","","","","","","","","","","","","","","","","","","","","NSC697759","","CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC2CO","LJVNZQXPQMHXMR-JTQLQIEISA-N","394359",NA,"PDBC48272","697759","Present"
-"NSC697760","","","","","","","","","","","","","","","","","","","","NSC697760","","CNC1=C(C=C(C=C1)N)C(=O)N2CCCC2CO","LPDGLYDQXBTKFD-JTQLQIEISA-N","394360",NA,"PDBC48273","697760","Present"
-"NSC697761","","","","","","","","","","","","","","","","","","","","NSC697761","","CNC1=C(C=CC(=C1)Cl)C(=O)N2CCCC2CO","UHTDELAXZJKXFG-JTQLQIEISA-N","394361",NA,"PDBC48274","697761","Present"
-"NSC697762","","","","","","","","","","","","","","","","","","","","NSC697762","","CNC1=C(C=C(C=C1)Cl)C(=O)N2CCCC2CO","KPTCHPNPNAUERD-JTQLQIEISA-N","394362",NA,"PDBC48275","697762","Present"
-"NSC697763","","","","","","","","","","","","","","","","","","","","NSC697763","","CNC1=CC(=C(C=C1C(=O)N2CCCC2CO)OC)OCC3=CC=CC=C3","HTFJJCROWHRSOL-INIZCTEOSA-N","394363",NA,"PDBC48276","697763","Present"
-"NSC697764","","","","","","","","","","","","","","","","","","","","NSC697764","","C1CC2C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N2C1","PUERSVHFINIUMP-JTQLQIEISA-N","394364",NA,"PDBC48277","697764","Present"
-"NSC697765","","","","","","","","","","","","","","","","","","","","NSC697765","","C1CC2C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N2C1","AUNHJVGFQWTEOA-JTQLQIEISA-N","394365",NA,"PDBC48278","697765","Present"
-"NSC697766","","","","","","","","","","","","","","","","","","","","NSC697766","","C1CC2C(=O)NC3=C(C=C(C=C3)N)C(=O)N2C1","WDHUXFHNWXKSAU-JTQLQIEISA-N","394366",NA,"PDBC48279","697766","Present"
-"NSC697767","","","","","","","","","","","","","","","","","","","","NSC697767","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)OCC4=CC=CC=C4","XMSFBYAKGKJGAQ-INIZCTEOSA-N","394367",NA,"PDBC48280","697767","Present"
-"NSC697768","","","","","","","","","","","","","","","","","","","","NSC697768","","COCOC1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1","INDFXRQEEDEGQN-SKDRFNHKSA-N","394368",NA,"PDBC48281","697768","Present"
-"NSC697769","","","","","","","","","","","","","","","","","","","","NSC697769","","COCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCC3C1=O","OPIUKQSVLAXBOJ-LBPRGKRZSA-N","394369",NA,"PDBC48282","697769","Present"
-"NSC697770","","","","","","","","","","","","","","","","","","","","NSC697770","","COCN1C2=C(C=C(C=C2)N)C(=O)N3CCCC3C1=O","VMDAUOKDZWEDAL-LBPRGKRZSA-N","394370",NA,"PDBC48283","697770","Present"
-"NSC697771","","","","","","","","","","","","","","","","","","","","NSC697771","","COCN1C2=C(C=CC(=C2)Cl)C(=O)N3CCCC3C1=O","HRYFXBWLZHOJHZ-NSHDSACASA-N","394371",NA,"PDBC48284","697771","Present"
-"NSC697772","","","","","","","","","","","","","","","","","","","","NSC697772","","COCN1C2=C(C=C(C=C2)Cl)C(=O)N3CCCC3C1=O","WBMYESRHCGKVIX-LBPRGKRZSA-N","394372",NA,"PDBC48285","697772","Present"
-"NSC697773","","","","","","","","","","","","","","","","","","","","NSC697773","","COCN1C2=C(C=C(C(=C2)CC3=CC=CC=C3)OC)C(=O)N4CCCC4C1=O","ZROCCBGWOHSRHT-SFHVURJKSA-N","394373",NA,"PDBC48286","697773","Present"
-"NSC697774","","","","","","","","","","","","","","","","","","","","NSC697774","","COCN1C2=CC=CC=C2C(=O)N3CC(CC3C1=O)OCOC","RSFBCVFKGLKMPV-RISCZKNCSA-N","394374",NA,"PDBC48287","697774","Present"
-"NSC697775","","","","","","","","","","","","","","","","","","","","NSC697775","","COCN1C2=CC=CC=C2C(=O)N3CC(CC3C1=O)O","CWLCTVUHLREKMM-SKDRFNHKSA-N","394375",NA,"PDBC48288","697775","Present"
-"NSC697776","","","","","","","","","","","","","","","","","","","","NSC697776","","COCN1C2=CC=CC=C2C(=O)N3CC(CC3C1=O)OCC=CCBr","AONVJJPGXXAGRG-GNVQUDOXSA-N","5470120",NA,"PDBC48289","697776","Present"
-"NSC697863","","","","","","","","","","","","","","","","","","","","NSC697863","","CC1=CN(C(=O)NC1=O)CC2=NCCN2.Cl","MMANNOMAZWHRMQ-UHFFFAOYSA-N","394404",NA,"PDBC48290","697863","Present"
-"NSC697864","","","","","","","","","","","","","","","","","","","","NSC697864","","CC1CN=C(N1)CN2C=C(C(=O)NC2=O)C.Cl","NGQITVJJFJJDND-UHFFFAOYSA-N","394406",NA,"PDBC48291","697864","Present"
-"NSC697865","","","","","","","","","","","","","","","","","","","","NSC697865","","CC1=CN(C(=O)NC1=O)CC2=NCC(N2)(C)C.Cl","MTNBMBLQSDYVAD-UHFFFAOYSA-N","394408",NA,"PDBC48292","697865","Present"
-"NSC697866","","","","","","","","","","","","","","","","","","","","NSC697866","","CC1=CN(C(=O)NC1=O)CC2=NC3CCCCC3N2.Cl","KWKQASLWNBMICC-UHFFFAOYSA-N","394410",NA,"PDBC48293","697866","Present"
-"NSC697867","","","","","","","","","","","","","","","","","","","","NSC697867","","CC1=CN(C(=O)NC1=O)CC2=NCCCN2.Cl","BMQIGUKTKSANJP-UHFFFAOYSA-N","394412",NA,"PDBC48294","697867","Present"
-"NSC697868","","","","","","","","","","","","","","","","","","","","NSC697868","","CC1=CN(C(=O)NC1=O)CC2=NCC(CN2)(C)C.Cl","JSWAZQWLWSTXSN-UHFFFAOYSA-N","394414",NA,"PDBC48295","697868","Present"
-"NSC697869","","","","","","","","","","","","","","","","","","","","NSC697869","","CCC1CCN=C(N1)CN2C=C(C(=O)NC2=O)C.Cl","RVLCJIFKHQJIKE-UHFFFAOYSA-N","394416",NA,"PDBC48296","697869","Present"
-"NSC697870","","","","","","","","","","","","","","","","","","","","NSC697870","","CCOC(=O)C1(CCCC1=O)CC=CCBr","YWSQFPBTYASBPB-ARJAWSKDSA-N","5470122",NA,"PDBC48297","697870","Present"
-"NSC697871","","","","","","","","","","","","","","","","","","","","NSC697871","","CCOC(=O)C1(CCCCCCC1=O)CC=CCBr","HTDXCWUTKRJFDK-FPLPWBNLSA-N","5470123",NA,"PDBC48298","697871","Present"
-"NSC697872","","","","","","","","","","","","","","","","","","","","NSC697872","","CCOC(=O)C1(CCCCCCCCCCC1=O)CC=CCBr","GGRMIZURVYJEGX-QXMHVHEDSA-N","5470124",NA,"PDBC48299","697872","Present"
-"NSC697883","","","","","","","","","","","","","","","","","","","","NSC697883","","CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NN=C3CCCNC3=O)C","PEOHINVCIYQQEL-BGYNROPQSA-N","5493578",NA,"PDBC48300","697883","Present"
-"NSC697892","","","","","","","","","","","","","","","","","","","","NSC697892","","CC(CCC(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O)CC=C","GUDJFVSIVSVROS-XSWJXKHESA-N","394436",NA,"PDBC48301","697892","Present"
-"NSC697944","","","","","","","","","","","","","","","","","","","","NSC697944","","CC1C(CN1S(=O)(=O)C2=CC=C(C=C2)C)(C3=CC=CC=C3)O","AQBILCYZCIMWEM-RHSMWYFYSA-N","394471",NA,"PDBC48302","697944","Present"
-"NSC697945","","","","","","","","","","","","","","","","","","","","NSC697945","","COC(=O)C1(CC2C(CC(=C2C1)S(=O)(=O)C3=CC=CC=C3)C#N)C(=O)OC","RLFSSQDBNXBGCU-TZMCWYRMSA-N","394472",NA,"PDBC48303","697945","Present"
-"NSC697947","","","","","","","","","","","","","","","","","","","","NSC697947","","COC(=O)C1(CC2C(CC(=C2C1)S(=O)(=O)C3=CC=CC=C3)C#N)C(=O)OC","RLFSSQDBNXBGCU-GXTWGEPZSA-N","394474",NA,"PDBC48304","697947","Present"
-"NSC697948","","","","","","","","","","","","","","","","","","","","NSC697948","","COC(=O)C1(CC2C(CC(=C2C1)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC","NPVGPFUNYZWENR-ICSRJNTNSA-N","394475",NA,"PDBC48305","697948","Present"
-"NSC698025","","","","","","","","","","","","","","","","","","","","NSC698025","","CC1=C(N=C(N=N1)N2C(=NC(=CC3=CC=C(C=C3)Cl)C2=O)C4=CC=C(C=C4)Cl)C=CC5=CC=C(C=C5)N(C)C","IYYNQYWWZTWUAR-BRUZEMJVSA-N","54608483",NA,"PDBC48306","698025","Present"
-"NSC698028","","","","","","","","","","","","","","","","","","","","NSC698028","","CC1=NNC(=NC1=CC(C2=CC=CS2)SC3=CC=C(C=C3)Cl)N","RUHVYEWVBWKGEC-UKTHLTGXSA-N","6475382",NA,"PDBC48307","698028","Present"
-"NSC698032","","","","","","","","","","","","","","","","","","","","NSC698032","","CC1=C(N=C(N=N1)N)C=CC2=C(C=C(C=C2)Cl)Cl","LLDGBIJHYFKKBZ-HYXAFXHYSA-N","54608481",NA,"PDBC48308","698032","Present"
-"NSC698033","","","","","","","","","","","","","","","","","","","","NSC698033","","CC1=C(N=C(N=N1)N)C=CC2=CC=C(C=C2)N(C)C","TWTCODGXDACPQI-TWGQIWQCSA-N","54608482",NA,"PDBC48309","698033","Present"
-"NSC698034","","","","","","","","","","","","","","","","","","","","NSC698034","","CC1=C(N=C(N=N1)N)C=CC2=CC=CS2","GCQXPUXZVKWDHD-PLNGDYQASA-N","54608501",NA,"PDBC48310","698034","Present"
-"NSC698083","","","","","","","","","","","","","","","","","","","","NSC698083","","CC(C)CC1=C(C(=O)C1=CC(=O)C)CC(C)C","RPRYXGWQVFNNHA-RIYZIHGNSA-N","5470143",NA,"PDBC48311","698083","Present"
-"NSC698164","","","","","","","","","","","","","","","","","","","","NSC698164","","CC(=C1CCCN(C1)CC2=CC=CC=C2)C3=CC=C(C=C3)OC","GOXMOSKPFUTGCF-LVZFUZTISA-N","5470148",NA,"PDBC48312","698164","Present"
-"NSC698165","","","","","","","","","","","","","","","","","","","","NSC698165","","C1CCC2C(C1)CCCC2=NNC(=S)N","PUEIVNWGKGUUTI-SNBICARYSA-N","9572066",NA,"PDBC48313","698165","Present"
-"NSC698167","","","","","","","","","","","","","","","","","","","","NSC698167","","CC(=C)C1(CCCCC1CC(SC2=CC=CC=C2)SC3=CC=CC=C3)O[Si](C)(C)C","DVEYEJRYKJXPKH-GJZUVCINSA-N","394587",NA,"PDBC48314","698167","Present"
-"NSC698170","","","","","","","","","","","","","","","","","","","","NSC698170","","CC(C)[Si](C(C)C)(C(C)C)OCC=C(C1(CCCCC1CC(OC)OC)O)SC2=CC=CC=C2","VXIWLKZHZSVSDC-GQNSSFMESA-N","5470150",NA,"PDBC48315","698170","Present"
-"NSC698171","","","","","","","","","","","","","","","","","","","","NSC698171","","CC(=C)C1(CCCCC1CC(SC2=CC=CC=C2)SC3=CC=CC=C3)O","NHRSCCCYKYQGQC-XXBNENTESA-N","394591",NA,"PDBC48316","698171","Present"
-"NSC698172","","","","","","","","","","","","","","","","","","","","NSC698172","","C=CC1(CCCCC1CC(SC2=CC=CC=C2)SC3=CC=CC=C3)O","JNVLBQIVAGOGES-XMSQKQJNSA-N","394592",NA,"PDBC48317","698172","Present"
-"NSC698174","","","","","","","","","","","","","","","","","","","","NSC698174","","COCC=CC1(CCCCC1CC(OC)OC)O","YKDKHHAHSCIGIF-GOCPQTJRSA-N","5470151",NA,"PDBC48318","698174","Present"
-"NSC698175","","","","","","","","","","","","","","","","","","","","NSC698175","","CC(C)(C)[Si](C)(C)OCC#CC1(CCCCC1CC(SC2=CC=CC=C2)SC3=CC=CC=C3)O","IXWHTVRXCNXBDR-PEFOLFAWSA-N","394595",NA,"PDBC48319","698175","Present"
-"NSC698177","","","","","","","","","","","","","","","","","","","","NSC698177","","COCC=CC1(CCCCC1CC(OC)OC)O","YKDKHHAHSCIGIF-LQGBBJIQSA-N","5470152",NA,"PDBC48320","698177","Present"
-"NSC698178","","","","","","","","","","","","","","","","","","","","NSC698178","","COCC#CC1(CCCCC1CC(OC)OC)O","VYDZTCXVHTYSLR-PYMCNQPYSA-N","394598",NA,"PDBC48321","698178","Present"
-"NSC698182","","","","","","","","","","","","","","","","","","","","NSC698182","","CC12CCC(=NN(C)C)C=C1CCC2O[Si](C)(C)C(C)(C)C","QSNJRBJDHJHIHU-ALIAXSDISA-N","9572067",NA,"PDBC48322","698182","Present"
-"NSC698184","","","","","","","","","","","","","","","","","","","","NSC698184","","CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C5CC(CCN5CC4)Br","GZQZQXYQSMMYQJ-MRNPHLECSA-N","394604",NA,"PDBC48323","698184","Present"
-"NSC698185","","","","","","","","","","","","","","","","","","","","NSC698185","","CC(C1CCC2C3=C(CCN2C1)C4=CC=CC=C4N3)Br","YISWCYRTICNEHH-HSMVNMDESA-N","394605",NA,"PDBC48324","698185","Present"
-"NSC698187","","","","","","","","","","","","","","","","","","","","NSC698187","","CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C5CCC(CN5CC4)C(C)Br","YKPCSYZUBGHCIJ-IXFSTUDKSA-N","394607",NA,"PDBC48325","698187","Present"
-"NSC698190","","","","","","","","","","","","","","","","","","","","NSC698190","","CC(=C1CCCN(C1)CC2=CC=CC=C2)SC3=CC=CC=C3.C(=O)(C(=O)O)O","AJJOBLZYWGUOQU-ZJSKVYKZSA-N","5470154",NA,"PDBC48326","698190","Present"
-"NSC698192","","","","","","","","","","","","","","","","","","","","NSC698192","","CC(C1=CC=CC=C1)NC2CCCC2(C#CC3=CC4=C(C=C3)OCO4)O","AFOLPEJVKYBYSX-SSKFGXFMSA-N","394614",NA,"PDBC48327","698192","Present"
-"NSC698193","","","","","","","","","","","","","","","","","","","","NSC698193","","C1CC(C(C1)(C#CC2=CC3=C(C=C2)OCO3)O)NCC4=CC=CC=C4","OLWMOSNKCBCNMA-NHCUHLMSSA-N","394615",NA,"PDBC48328","698193","Present"
-"NSC698194","","","","","","","","","","","","","","","","","","","","NSC698194","","CC(C1=CC=CC=C1)N(CC#N)C2CCCC2(C=CC3=CC4=C(C=C3)OCO4)O","GVQFQTXGAMOOME-DBEHEBMESA-N","5470155",NA,"PDBC48329","698194","Present"
-"NSC698195","","","","","","","","","","","","","","","","","","","","NSC698195","","C1CC2C(C(CN2)C3=CC4=C(C=C3)OCO4)C(=O)C1.Cl","CFKAECGVZMYYRA-JEXFAWMMSA-N","394617",NA,"PDBC48330","698195","Present"
-"NSC698196","","","","","","","","","","","","","","","","","","","","NSC698196","","C1CC2C(C(C1)O)C(CN2)C3=CC4=C(C=C3)OCO4.Cl","IPPDIWYFKSCOPA-MRGCYQTNSA-N","394619",NA,"PDBC48331","698196","Present"
-"NSC698197","","","","","","","","","","","","","","","","","","","","NSC698197","","C1CC2C(C1)(OCN2)C#CC3=CC4=C(C=C3)OCO4","YTXLJLFTXGXJNR-GJZGRUSLSA-N","394621",NA,"PDBC48332","698197","Present"
-"NSC698198","","","","","","","","","","","","","","","","","","","","NSC698198","","C1CC(C(C1)(C=CC2=CC3=C(C=C2)OCO3)O)N(CC#N)CC4=CC=CC=C4","KGTXNTXLSUGFGP-XPHCTPJTSA-N","5470158",NA,"PDBC48333","698198","Present"
-"NSC698199","","","","","","","","","","","","","","","","","","","","NSC698199","","CC(C1=CC=CC=C1)N2COC3(C2CCC3)C#CC4=CC5=C(C=C4)OCO5","NAIKJPWYUUENBU-JJEOQYAHSA-N","394623",NA,"PDBC48334","698199","Present"
-"NSC698200","","","","","","","","","","","","","","","","","","","","NSC698200","","CC(C1=CC=CC=C1)C(CC#N)C2CCCC2(C#CC3=CC4=C(C=C3)OCO4)O","XPEYZNLDVVAOPM-BWGVHRMVSA-N","394624",NA,"PDBC48335","698200","Present"
-"NSC698201","","","","","","","","","","","","","","","","","","","","NSC698201","","CC(C1=CC=CC=C1)N2CC(C3C2CCCC3=O)C4=CC5=C(C=C4)OCO5","UEVURCQRNLWTCZ-RJZVVRIISA-N","394625",NA,"PDBC48336","698201","Present"
-"NSC698203","","","","","","","","","","","","","","","","","","","","NSC698203","","C1CC(C(C1)(C#CC2=CC3=C(C=C2)OCO3)O)N(CC#N)CC4=CC=CC=C4","JJNDPYFTNGMDEA-PKTZIBPZSA-N","394627",NA,"PDBC48337","698203","Present"
-"NSC698210","","","","","","","","","","","","","","","","","","","","NSC698210","","CC(C)(C)OCC=C1C2CC(CC2OC1=O)O[Si](C)(C)C(C)(C)C","GICILCBPXYSVHO-XGIGGAPPSA-N","5470162",NA,"PDBC48338","698210","Present"
-"NSC698211","","","","","","","","","","","","","","","","","","","","NSC698211","","CC(C)(C)OC=C1C2CC(CC2OC1=O)O[Si](C)(C)C(C)(C)C","NZOSXMAUPPFBKC-BCMANIICSA-N","5470163",NA,"PDBC48339","698211","Present"
-"NSC698212","","","","","","","","","","","","","","","","","","","","NSC698212","","CC(=C)C1(CCCC1NC(=O)OC(C)(C)C)O","ZACXCDRPKUSLNU-MFKMUULPSA-N","394636",NA,"PDBC48340","698212","Present"
-"NSC698273","","","","","","","","","","","","","","","","","","","","NSC698273","","C1=CC(=C(C(=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)Cl)Cl)Cl.Cl","TWAYIWQXVYBYLL-JKEJZTEDSA-N","9572068",NA,"PDBC48341","698273","Present"
-"NSC698278","","","","","","","","","","","","","","","","","","","","NSC698278","","COC1=CC=CC(=C1)C=NC(C=CC(=O)OC)(C#N)C#N","VIUKGTSJKRUXDK-RAJBIAOKSA-N","5470182",NA,"PDBC48342","698278","Present"
-"NSC698279","","","","","","","","","","","","","","","","","","","","NSC698279","","COC(=O)C=CC(C#N)(C#N)N=CC1=CC=C(C=C1)Br","JXZLSCJGRCXWFF-PMUQAUNRSA-N","5470183",NA,"PDBC48343","698279","Present"
-"NSC698280","","","","","","","","","","","","","","","","","","","","NSC698280","","COC(=O)C=CC(C#N)(C#N)N=CC1=CC=CS1","RYSJCJPSPUEFAQ-UMICDYAOSA-N","5470184",NA,"PDBC48344","698280","Present"
-"NSC698281","","","","","","","","","","","","","","","","","","","","NSC698281","","CC1=C(SC=C1)C=NC(C=CC(=O)OC)(C#N)C#N","LZDHDPBBIAXJBI-LEGCWVATSA-N","5470185",NA,"PDBC48345","698281","Present"
-"NSC698282","","","","","","","","","","","","","","","","","","","","NSC698282","","COC(=O)C=CC(C#N)(C#N)N=CC1=CC=C(S1)Br","AHWONDOEVCTSBF-ZVJWWATOSA-N","5470186",NA,"PDBC48346","698282","Present"
-"NSC698446","","","","","","","","","","","","","","","","","","","","NSC698446","","CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=CC4=CC=C(C=C4)N(C)C","HWGHWJMKOZPYOA-NRYMNODQSA-N","54608785",NA,"PDBC48347","698446","Present"
-"NSC698450","","","","","","","","","","","","","","","","","","","","NSC698450","","C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3C(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-]","DEWDWPMLQOVDAK-QCOHSWCKSA-N","54609000",NA,"PDBC48348","698450","Present"
-"NSC698462","","","","","","","","","","","","","","","","","","","","NSC698462","","C1=CC=C(C=C1)N2C(=NN=C2S)C3=CC=CC=C3NC4=CC=CC=C4C5=NN=C(N5C6=CC=CC=C6)S","HNESGFUTTPCSLW-UHFFFAOYSA-N","394759",NA,"PDBC48349","698462","Present"
-"NSC698567","","","","","","","","","","","","","","","","","","","","NSC698567","","CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)COC(=O)C=CC5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O","JQRDKJPPZWVTOO-VPKYGTQOSA-N","54609038",NA,"PDBC48350","698567","Present"
-"NSC698568","","","","","","","","","","","","","","","","","","","","NSC698568","","CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)COC(=O)C=CC5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O","RLSWHCDMMMGSAZ-ISFOIPJBSA-N","54609036",NA,"PDBC48351","698568","Present"
-"NSC698569","","","","","","","","","","","","","","","","","","","","NSC698569","","CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)COC(=O)C=CC5=CC(=C(C=C5)O)OC)OC6C(C(C(C(O6)CO)O)O)O)O)O)O","GNLJJTGKWLYCEK-VVTRYMSHSA-N","54609037",NA,"PDBC48352","698569","Present"
-"NSC698606","","","","","","","","","","","","","","","","","","","","NSC698606","","CC1(OC2COC3(C(C2O1)OC(O3)(C)C)C4C(OC(O4)(C)C)CO)C","TYRFSVLXABMDCR-XERVOQTNSA-N","394804",NA,"PDBC48353","698606","Present"
-"NSC698607","","","","","","","","","","","","","","","","","","","","NSC698607","","CC1(OC2COC3(C(C2O1)OC(O3)(C)C)C4C(OC(O4)(C)C)CO)C","TYRFSVLXABMDCR-AUERKNIXSA-N","394805",NA,"PDBC48354","698607","Present"
-"NSC698608","","","","","","","","","","","","","","","","","","","","NSC698608","","CC1(OC2COC3(C(C2O1)OC(O3)(C)C)C(CCO)O)C","NQRQVLKEFOWEFJ-FDYKUADKSA-N","394806",NA,"PDBC48355","698608","Present"
-"NSC698611","","","","","","","","","","","","","","","","","","","","NSC698611","","CC(C(C1=CC=CC=C1)O)N(C)C(=O)C(CC=C)N","RNCFTTJKJVMSSC-IACUBPJLSA-N","394809",NA,"PDBC48356","698611","Present"
-"NSC698964","","","","","","","","","","","","","","","","","","","","NSC698964","","C1C(C2=CSC=C2C(=O)N1)N.Cl","DGRUKBUPVFKQEP-UHFFFAOYSA-N","394872",NA,"PDBC48357","698964","Present"
-"NSC699001","","","","","","","","","","","","","","","","","","","","NSC699001","","CN1C(=NC(=S)N)SC(=N1)S(=O)(=O)N","BEPNVTXPGBKLPD-XVNBXDOJSA-N","6284890",NA,"PDBC48358","699001","Present"
-"NSC699019","","","","","","","","","","","","","","","","","","","","NSC699019","","COC1=CC=CC2=C1CCC3=CC4=C(N=C(N=C4N=C32)N)N","KJWGBIZKXPYHDB-UHFFFAOYSA-N","394919",NA,"PDBC48359","699019","Present"
-"NSC699026","","","","","","","","","","","","","","","","","","","","NSC699026","","CC(=O)OCC(C(C1C(OC(O1)(C)C)C2SCCCS2)OC(=O)C)OC(=O)C","XKVQVNVAMQVQKW-UGUYLWEFSA-N","394925",NA,"PDBC48360","699026","Present"
-"NSC699027","","","","","","","","","","","","","","","","","","","","NSC699027","","CC1(C(N2C(S1)C(=O)N(C2=S)C3=CC=CC=C3)C(=O)OC)C","PEQGUVGKGOUDGE-CMPLNLGQSA-N","394926",NA,"PDBC48361","699027","Present"
-"NSC699028","","","","","","","","","","","","","","","","","","","","NSC699028","","CC1(C2C(=O)N(C(=S)N2CS1)C)C","FATKEBKHHDWHKI-YFKPBYRVSA-N","394927",NA,"PDBC48362","699028","Present"
-"NSC699029","","","","","","","","","","","","","","","","","","","","NSC699029","","CC1=NC=C(C(=C1O)C=C2C(=O)NC(=S)S2)COP(=O)(O)O.[Na+]","POTWPDJKXBTELN-WENINEFDSA-N","22619769",NA,"PDBC48363","699029","Present"
-"NSC699030","","","","","","","","","","","","","","","","","","","","NSC699030","","CCOP(=O)(C12CC(C=CC1COC2=O)C)OCC","YRFYAMXIDJQUQT-GMXVVIOVSA-N","394930",NA,"PDBC48364","699030","Present"
-"NSC699031","","","","","","","","","","","","","","","","","","","","NSC699031","","C=C1CN(C2C1C(CCCCC2)C#N)CC3=CC=CC=C3","BDGADMOEKXGKHU-QRVBRYPASA-N","394931",NA,"PDBC48365","699031","Present"
-"NSC699067","","","","","","","","","","","","","","","","","","","","NSC699067","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=CC=CC=C4","ZARBUJQWNVFVNC-CJLVFECKSA-N","5470239",NA,"PDBC48366","699067","Present"
-"NSC699068","","","","","","","","","","","","","","","","","","","","NSC699068","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=CC=CC=C4Cl","MUBCFLPRXBAQPN-PXLXIMEGSA-N","5470240",NA,"PDBC48367","699068","Present"
-"NSC699069","","","","","","","","","","","","","","","","","","","","NSC699069","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","GVNDPDISJHLSQV-PXLXIMEGSA-N","5470241",NA,"PDBC48368","699069","Present"
-"NSC699070","","","","","","","","","","","","","","","","","","","","NSC699070","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]","NZVKIFPBOUWGEQ-HYARGMPZSA-N","5470242",NA,"PDBC48369","699070","Present"
-"NSC699071","","","","","","","","","","","","","","","","","","","","NSC699071","","COC1=CC=CC=C1N2C(SC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","HKGZMVIFZKIPIF-XQNSMLJCSA-N","5470243",NA,"PDBC48370","699071","Present"
-"NSC699072","","","","","","","","","","","","","","","","","","","","NSC699072","","COC1=CC=C(C=C1)N2C(SC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","KDXGVPFUYXOBBH-XQNSMLJCSA-N","5470244",NA,"PDBC48371","699072","Present"
-"NSC699073","","","","","","","","","","","","","","","","","","","","NSC699073","","CC(=O)NC1=CC=C(C=C1)N2C(SC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","QQRSWORTWHUOOA-LFVJCYFKSA-N","5470245",NA,"PDBC48372","699073","Present"
-"NSC699074","","","","","","","","","","","","","","","","","","","","NSC699074","","CC(=O)NC1=CC(=CC=C1)N2C(SC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","ZLWMIFFGZJVJNJ-BUVRLJJBSA-N","5470246",NA,"PDBC48373","699074","Present"
-"NSC699075","","","","","","","","","","","","","","","","","","","","NSC699075","","CC(=O)NC1=CC(=C(C=C1)OC)N2C(SC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","NSYCIYJIRBAFIA-MFKUBSTISA-N","5470247",NA,"PDBC48374","699075","Present"
-"NSC699076","","","","","","","","","","","","","","","","","","","","NSC699076","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=C(C=CC(=C4)Cl)Cl","GHFUQQWWCVGEDN-LPYMAVHISA-N","5470248",NA,"PDBC48375","699076","Present"
-"NSC699077","","","","","","","","","","","","","","","","","","","","NSC699077","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)CC4=CC=CC=C4","DCDDPESPKOOVBA-XQNSMLJCSA-N","5470249",NA,"PDBC48376","699077","Present"
-"NSC699078","","","","","","","","","","","","","","","","","","","","NSC699078","","C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=CC(=CC=C5)Cl","MCYLENOOYBCIRL-NLRVBDNBSA-N","5470250",NA,"PDBC48377","699078","Present"
-"NSC699079","","","","","","","","","","","","","","","","","","","","NSC699079","","C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=CC=CC=C5","TVGLHFVJTMEEHH-LHLOQNFPSA-N","5470251",NA,"PDBC48378","699079","Present"
-"NSC699080","","","","","","","","","","","","","","","","","","","","NSC699080","","C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=CC=CC=C5Cl","ZEAPLOFTXZKOMI-LGUFXXKBSA-N","5470252",NA,"PDBC48379","699080","Present"
-"NSC699081","","","","","","","","","","","","","","","","","","","","NSC699081","","C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=CC=C(C=C5)Cl","FNCQMTQAJVNPLQ-LGUFXXKBSA-N","5470253",NA,"PDBC48380","699081","Present"
-"NSC699082","","","","","","","","","","","","","","","","","","","","NSC699082","","C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=CC(=CC=C5)[N+](=O)[O-]","HASDQCQFFUQSSC-NLRVBDNBSA-N","5470254",NA,"PDBC48381","699082","Present"
-"NSC699083","","","","","","","","","","","","","","","","","","","","NSC699083","","COC1=CC=C(C=C1)N2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","ADBRLPVUQJOKQC-NHFJDJAPSA-N","5470255",NA,"PDBC48382","699083","Present"
-"NSC699084","","","","","","","","","","","","","","","","","","","","NSC699084","","CC(=O)NC1=CC=C(C=C1)N2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","IZCHWBDIAIYRLL-VFCFBJKWSA-N","5470256",NA,"PDBC48383","699084","Present"
-"NSC699085","","","","","","","","","","","","","","","","","","","","NSC699085","","CC(=O)NC1=CC(=CC=C1)N2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","DQVCAUSFJHVSOO-TURZUDJPSA-N","5470257",NA,"PDBC48384","699085","Present"
-"NSC699086","","","","","","","","","","","","","","","","","","","","NSC699086","","CC(=O)NC1=CC(=C(C=C1)OC)N2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","CWXIYGNBKMHHRD-VUTHCHCSSA-N","5470258",NA,"PDBC48385","699086","Present"
-"NSC699087","","","","","","","","","","","","","","","","","","","","NSC699087","","C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=C(C=CC(=C5)Cl)Cl","MYOYYSQXFBLIPQ-YZSQISJMSA-N","5470259",NA,"PDBC48386","699087","Present"
-"NSC699089","","","","","","","","","","","","","","","","","","","","NSC699089","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl","JJHALLYQHDDHOG-HYARGMPZSA-N","5470261",NA,"PDBC48387","699089","Present"
-"NSC699090","","","","","","","","","","","","","","","","","","","","NSC699090","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC=CC=C4","OTFPEHVRTOOCSH-CJLVFECKSA-N","5470262",NA,"PDBC48388","699090","Present"
-"NSC699091","","","","","","","","","","","","","","","","","","","","NSC699091","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC=CC=C4Cl","DEOBMPMMJDKEFH-PXLXIMEGSA-N","5470263",NA,"PDBC48389","699091","Present"
-"NSC699092","","","","","","","","","","","","","","","","","","","","NSC699092","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","CYJGHRCSPZFAGJ-PXLXIMEGSA-N","5470264",NA,"PDBC48390","699092","Present"
-"NSC699093","","","","","","","","","","","","","","","","","","","","NSC699093","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]","UZIJCQQPNFGRQR-HYARGMPZSA-N","5470265",NA,"PDBC48391","699093","Present"
-"NSC699094","","","","","","","","","","","","","","","","","","","","NSC699094","","COC1=CC=CC=C1N2C(S(=O)(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","PIGOPBRMNBVLTN-XQNSMLJCSA-N","5470266",NA,"PDBC48392","699094","Present"
-"NSC699095","","","","","","","","","","","","","","","","","","","","NSC699095","","COC1=CC=C(C=C1)N2C(S(=O)(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","JRHJTPWWTQGTOM-XQNSMLJCSA-N","5470267",NA,"PDBC48393","699095","Present"
-"NSC699096","","","","","","","","","","","","","","","","","","","","NSC699096","","CC(=O)NC1=CC=C(C=C1)N2C(S(=O)(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","MORFLPYMTHRFCA-LFVJCYFKSA-N","5470268",NA,"PDBC48394","699096","Present"
-"NSC699097","","","","","","","","","","","","","","","","","","","","NSC699097","","CC(=O)NC1=CC(=CC=C1)N2C(S(=O)(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","DGJMTABFUBICPV-BUVRLJJBSA-N","5470269",NA,"PDBC48395","699097","Present"
-"NSC699098","","","","","","","","","","","","","","","","","","","","NSC699098","","CC(=O)NC1=CC(=C(C=C1)OC)N2C(S(=O)(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","KYCRVFBVSOXRBJ-MFKUBSTISA-N","5470270",NA,"PDBC48396","699098","Present"
-"NSC699099","","","","","","","","","","","","","","","","","","","","NSC699099","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=C(C=CC(=C4)Cl)Cl","KDRURQJQFMLQKS-LPYMAVHISA-N","5470271",NA,"PDBC48397","699099","Present"
-"NSC699100","","","","","","","","","","","","","","","","","","","","NSC699100","","COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)CC4=CC=CC=C4","YJUGOKGUUJYWBA-XQNSMLJCSA-N","5470272",NA,"PDBC48398","699100","Present"
-"NSC699101","","","","","","","","","","","","","","","","","","","","NSC699101","","C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2(=O)=O)C5=CC(=CC=C5)Cl","ZJQDOCYIHFPWRR-NLRVBDNBSA-N","5470273",NA,"PDBC48399","699101","Present"
-"NSC699103","","","","","","","","","","","","","","","","","","","","NSC699103","","C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2(=O)=O)C5=CC=C(C=C5)Cl","HXXDXUCFIHZHHQ-LGUFXXKBSA-N","5470275",NA,"PDBC48400","699103","Present"
-"NSC699105","","","","","","","","","","","","","","","","","","","","NSC699105","","COC1=CC=CC=C1N2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","ILHVWGGZRITUMF-NHFJDJAPSA-N","5470277",NA,"PDBC48401","699105","Present"
-"NSC699106","","","","","","","","","","","","","","","","","","","","NSC699106","","COC1=CC=C(C=C1)N2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","TVYLDKXLJBDBIR-NHFJDJAPSA-N","5470278",NA,"PDBC48402","699106","Present"
-"NSC699107","","","","","","","","","","","","","","","","","","","","NSC699107","","CC(=O)NC1=CC=C(C=C1)N2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","JTSKYERGQOBFRA-VFCFBJKWSA-N","5470279",NA,"PDBC48403","699107","Present"
-"NSC699108","","","","","","","","","","","","","","","","","","","","NSC699108","","CC(=O)NC1=CC(=CC=C1)N2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","BHTGTXHUTBHSEK-TURZUDJPSA-N","5470280",NA,"PDBC48404","699108","Present"
-"NSC699109","","","","","","","","","","","","","","","","","","","","NSC699109","","CC(=O)NC1=CC(=C(C=C1)OC)N2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","VLCGIHYZABMKTN-VUTHCHCSSA-N","5470281",NA,"PDBC48405","699109","Present"
-"NSC699110","","","","","","","","","","","","","","","","","","","","NSC699110","","C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2(=O)=O)C5=C(C=CC(=C5)Cl)Cl","AHLVBUIDEKZIMK-YZSQISJMSA-N","5470282",NA,"PDBC48406","699110","Present"
-"NSC699111","","","","","","","","","","","","","","","","","","","","NSC699111","","C1=CC=C(C=C1)CN2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","NUHCEHCEZPDVGK-NHFJDJAPSA-N","5470283",NA,"PDBC48407","699111","Present"
-"NSC699112","","","","","","","","","","","","","","","","","","","","NSC699112","","COC1=CC=CC=C1N2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","CRNJZIUNIFTLML-NHFJDJAPSA-N","5470284",NA,"PDBC48408","699112","Present"
-"NSC699166","","","","","","","","","","","","","","","","","","","","NSC699166","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC2CCCCC2OC(=O)C=CC3=CC(=C(C=C3)OC(=O)C)OC(=O)C)OC(=O)C","QXRAYWZLWRHXNY-WUZKTWFTSA-N","5470291",NA,"PDBC48409","699166","Present"
-"NSC699168","","","","","","","","","","","","","","","","","","","","NSC699168","","CC(C(C)OC(=O)C=CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C)OC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C","QMHVZMRBDMACJL-XOSPFMELSA-N","5470293",NA,"PDBC48410","699168","Present"
-"NSC699169","","","","","","","","","","","","","","","","","","","","NSC699169","","C1CCC(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O","ABRIKWKVYABQBU-IATRBJTHSA-N","5470294",NA,"PDBC48411","699169","Present"
-"NSC699171","","","","","","","","","","","","","","","","","","","","NSC699171","","CC(C(C)OC(=O)C=CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O","GHGGDZTYWCJNIP-FLWVTIDTSA-N","5470296",NA,"PDBC48412","699171","Present"
-"NSC699226","","","","","","","","","","","","","","","","","","","","NSC699226","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","ZYVHAFVXOSOXOK-KRWDZBQOSA-N","395042",NA,"PDBC48413","699226","Present"
-"NSC699227","","","","","","","","","","","","","","","","","","","","NSC699227","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","SPXCLYIKWNQLOO-SFHVURJKSA-N","395043",NA,"PDBC48414","699227","Present"
-"NSC699228","","","","","","","","","","","","","","","","","","","","NSC699228","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","WKVYSVHKRDKKEU-IBGZPJMESA-N","395044",NA,"PDBC48415","699228","Present"
-"NSC699229","","","","","","","","","","","","","","","","","","","","NSC699229","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","NDRMIZMITULHHV-FQEVSTJZSA-N","395045",NA,"PDBC48416","699229","Present"
-"NSC699230","","","","","","","","","","","","","","","","","","","","NSC699230","","CC1=CC2=C(C=C1)N=CC3CCCN3C2=O","XXWUGEBWTUAJHS-JTQLQIEISA-N","395046",NA,"PDBC48417","699230","Present"
-"NSC699235","","","","","","","","","","","","","","","","","","","","NSC699235","","CCCCCCCCC#CCCCCCCCCCCC1C(C(OC1=O)C)O.CC1C(C(C(=O)O1)CCCCCCCCCCC#CCCCCCCC=C)O","DNVVWEWPTHBTDD-GJGXDWQFSA-N","6712595",NA,"PDBC48418","699235","Present"
-"NSC699331","","","","","","","","","","","","","","","","","","","","NSC699331","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)N3C(=O)C4=CC=CC=C4C3=O","QYHXNTRPDUICKI-GUDVDZBRSA-N","395069",NA,"PDBC48419","699331","Present"
-"NSC699332","","","","","","","","","","","","","","","","","","","","NSC699332","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)CC=C","AJZMFWIZHTZCOB-UHFFFAOYSA-N","395070",NA,"PDBC48420","699332","Present"
-"NSC699336","","","","","","","","","","","","","","","","","","","","NSC699336","","C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)CCN(CC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O","IPDPZDOHCBLNPF-UHFFFAOYSA-N","395074",NA,"PDBC48421","699336","Present"
-"NSC699391","","","","","","","","","","","","","","","","","","","","NSC699391","","CC1C(CC2(O1)CCN(CC2)C)(C3=CC=CC=C3)C(C)O.Br","JVJAMXPPLFKRPA-ZTBBUHMRSA-N","395099",NA,"PDBC48422","699391","Present"
-"NSC699394","","","","","","","","","","","","","","","","","","","","NSC699394","","CCOC(=O)N1CCC2(CC1)CC(C(O2)C)(C(=O)C)SC3=CC=CC=C3","ZCCYPQBEQCASBG-JXFKEZNVSA-N","395103",NA,"PDBC48423","699394","Present"
-"NSC699396","","","","","","","","","","","","","","","","","","","","NSC699396","","CCOC(=O)N1CCC2(CC1)CC(C(O2)C)(C3=CC=CC=C3)C(=O)C","JFJUUXOJEHWYQH-FZCLLLDFSA-N","395106",NA,"PDBC48424","699396","Present"
-"NSC699397","","","","","","","","","","","","","","","","","","","","NSC699397","","CCOC(=O)N1CCC2(CC1)CC(C(O2)C)(C)C(=O)C","KQRSCIFDTHXBRN-TYZXPVIJSA-N","395107",NA,"PDBC48425","699397","Present"
-"NSC699408","","","","","","","","","","","","","","","","","","","","NSC699408","","CC1(OC(C(O1)CP(C2=CC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5C=C4)CP(C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8)C","XTRZUIVXMQUJLL-ZYBCLOSLSA-N","395118",NA,"PDBC48426","699408","Present"
-"NSC699409","","","","","","","","","","","","","","","","","","","","NSC699409","","CC1(OC(C(O1)CP(C2=CC=CC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54)CP(C6=CC=CC7=CC=CC=C76)C8=CC=CC9=CC=CC=C98)C","RVUUGKUBKDAGSX-COCZKOEFSA-N","395119",NA,"PDBC48427","699409","Present"
-"NSC699411","","","","","","","","","","","","","","","","","","","","NSC699411","","CC1(OC(C(O1)C(=O)OC)C(=O)OC)C2=CC=CC=C2","XFSCUQFGXSPZCK-GHMZBOCLSA-N","395121",NA,"PDBC48428","699411","Present"
-"NSC699429","","","","","","","","","","","","","","","","","","","","NSC699429","","CCOC(=O)C1(CC(=C(CS1=O)C)C)C(=O)C","HQNQXYYNUBIVCP-YVEFUNNKSA-N","9572073",NA,"PDBC48429","699429","Present"
-"NSC699430","","","","","","","","","","","","","","","","","","","","NSC699430","","COC1=CC=C(C=C1)N2C3C(C2=O)CC4=CC(=O)CC34","RHAFEQMMAZZUSG-GIJJTGMTSA-N","395139",NA,"PDBC48430","699430","Present"
-"NSC699433","","","","","","","","","","","","","","","","","","","","NSC699433","","CN(CCN)C(CSSCC(C1=CC=CC=C1O)N(C)CCN)C2=CC=CC=C2O","CFDRXOJXQAYOGK-BGYRXZFFSA-N","395142",NA,"PDBC48431","699433","Present"
-"NSC699443","","","","","","","","","","","","","","","","","","","","NSC699443","","CCOC(=O)C1CC(N2C1C=CC(=N2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4","YXTCEGKBNSQSMJ-TYPHKJRUSA-N","395144",NA,"PDBC48432","699443","Present"
-"NSC699458","","","","","","","","","","","","","","","","","","","","NSC699458","","CCOC(=O)C1CC2COC(N2C1=O)C3=CC=CC=C3","VOCWBPFZTXBBAT-HFUMIRBISA-N","395158",NA,"PDBC48433","699458","Present"
-"NSC699459","","","","","","","","","","","","","","","","","","","","NSC699459","","C1C2COC(N2C(=O)C1C(=O)C3=CC=CC=C3)C4=CC=CC=C4","AMPMVHBZCCVDCX-SCVGIUIWSA-N","395159",NA,"PDBC48434","699459","Present"
-"NSC699717","","","","","","","","","","","","","","","","","","","","NSC699717","","C1=CN(C2=NC=NC(=C21)N)CC=CCO","VBIAGLNRNULIDS-UPHRSURJSA-N","5470326",NA,"PDBC48435","699717","Present"
-"NSC699724","","","","","","","","","","","","","","","","","","","","NSC699724","","CN(C)CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=NC1=O)C=C(C=C4)O.Cl","GOHNNLSQWLBJJC-UHFFFAOYSA-N","135505169",NA,"PDBC48436","699724","Present"
-"NSC699725","","","","","","","","","","","","","","","","","","","","NSC699725","","CN(C)CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=NC1=S)C=C(C=C4)OC.Cl","RIOWLVAQWHFAQP-UHFFFAOYSA-N","395250",NA,"PDBC48437","699725","Present"
-"NSC699726","","","","","","","","","","","","","","","","","","","","NSC699726","","CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=NC1=S)C=C(C=C4)OC.Cl","NJFIVDMYGZIRTL-UHFFFAOYSA-N","395252",NA,"PDBC48438","699726","Present"
-"NSC699727","","","","","","","","","","","","","","","","","","","","NSC699727","","CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])N=C4C=CC(=CC4=C3N(C1=S)CCCN(C)C)O.Cl","DTJBCNLMHNTDMX-UHFFFAOYSA-N","395254",NA,"PDBC48439","699727","Present"
-"NSC699753","","","","","","","","","","","","","","","","","","","","NSC699753","","CC(=O)OC=COC1CCCC1(C2=CC=CC=C2)C3=CC=CC=C3","LKGTZGZTTIMXGR-NXVVXOECSA-N","5470334",NA,"PDBC48440","699753","Present"
-"NSC699755","","","","","","","","","","","","","","","","","","","","NSC699755","","CC(=O)OC1C(C=[N+](OC1OC2CCCC2)[O-])C3=CC(=C(C=C3)OC)OC","NGRNZGVMHYJOQM-LZQZEXGQSA-N","395277",NA,"PDBC48441","699755","Present"
-"NSC699756","","","","","","","","","","","","","","","","","","","","NSC699756","","CC(=O)OC1C(C=[N+](OC1OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5CCCCC5","NCRVIABJZOZIQS-YMDQVJCDSA-N","395278",NA,"PDBC48442","699756","Present"
-"NSC699757","","","","","","","","","","","","","","","","","","","","NSC699757","","CC(=O)OC1C(C=[N+](OC1OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5=CC=CC=C5","ZJFNRGLKBZBXOR-UBOLQYRXSA-N","395279",NA,"PDBC48443","699757","Present"
-"NSC699758","","","","","","","","","","","","","","","","","","","","NSC699758","","CCC1(C=[N+](OC(C1OC(=O)C)OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])CC5=CC(=C(C=C5)OC)OC","UOUVUOCDDCWLPU-UCJDAUIDSA-N","395280",NA,"PDBC48444","699758","Present"
-"NSC699759","","","","","","","","","","","","","","","","","","","","NSC699759","","CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2)OC(=O)C)C3CCCCC3","RCFQFICHXFOPDU-RTBURBONSA-N","395281",NA,"PDBC48445","699759","Present"
-"NSC699760","","","","","","","","","","","","","","","","","","","","NSC699760","","CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2)OC(=O)C)C3CCCCC3","RCFQFICHXFOPDU-MOPGFXCFSA-N","395282",NA,"PDBC48446","699760","Present"
-"NSC699761","","","","","","","","","","","","","","","","","","","","NSC699761","","CCC1(C2CC(ON2OC(C1OC(=O)C)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)CC6=CC(=C(C=C6)OC)OC","CWNGBWDHKOFJDV-WGLRSOQMSA-N","395283",NA,"PDBC48447","699761","Present"
-"NSC699763","","","","","","","","","","","","","","","","","","","","NSC699763","","CCC1(C=[N+](OC(C1OC(=O)C(C)(C)C)OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])CC5=CC(=C(C=C5)OC)OC","LHEGLWYTLDRTJX-DLZBCRBASA-N","395284",NA,"PDBC48448","699763","Present"
-"NSC699764","","","","","","","","","","","","","","","","","","","","NSC699764","","CC(=O)OC1C(C2CC(ON2OC1OCC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4Br","QXCDQPXPJHGBJJ-XANJAXJYSA-N","395285",NA,"PDBC48449","699764","Present"
-"NSC699767","","","","","","","","","","","","","","","","","","","","NSC699767","","CCC1(C=[N+](OC(C1OC(=O)C2=CC=CC=C2)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5)[O-])CC6=CC(=C(C=C6)OC)OC","YZARHHJVMXTBDM-MYLAWAGJSA-N","395287",NA,"PDBC48450","699767","Present"
-"NSC699771","","","","","","","","","","","","","","","","","","","","NSC699771","","CC(=O)OC1C(O[N+](=CC12COCC3=CC4=C(C=C23)OCO4)[O-])OC5CCCC5(C6=CC=CC=C6)C7=CC=CC=C7","VKMXGGOAOVREOR-BQFSGGQZSA-N","6712598",NA,"PDBC48451","699771","Present"
-"NSC699772","","","","","","","","","","","","","","","","","","","","NSC699772","","CCC1(C2CC(ON2OC(C1OC(=O)C)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5)C(OCC)OCC)CC6=CC(=C(C=C6)OC)OC","VBDIRCPYWWUANW-HRBJLKCDSA-N","395291",NA,"PDBC48452","699772","Present"
-"NSC699774","","","","","","","","","","","","","","","","","","","","NSC699774","","CCC1(C=[N+](OC(C1OC(=O)C)OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5=CC6=C(C=C5)OCO6","PZBDNPXRMUGYMJ-NZLCMKNMSA-N","395293",NA,"PDBC48453","699774","Present"
-"NSC699775","","","","","","","","","","","","","","","","","","","","NSC699775","","CC(=O)OC1C(O[N+](=CC12CCCCC2)[O-])OC3CCCCC3(C4=CC=CC=C4)C5=CC=CC=C5","LMFHUGSYVSOARR-NODVFIEMSA-N","395294",NA,"PDBC48454","699775","Present"
-"NSC699776","","","","","","","","","","","","","","","","","","","","NSC699776","","C1OC2=C(O1)C=C(C=C2)C(=C[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3","GQODURQXCRUTAV-UKTHLTGXSA-N","5470337",NA,"PDBC48455","699776","Present"
-"NSC699781","","","","","","","","","","","","","","","","","","","","NSC699781","","COC(C1=CC=CC=C1)C(=O)OC2C(C3C(CCN3O2)OC(=O)C4=CC=CC=C4)C(=O)OC","OQFYYDNHLYZLOL-BORCDFBASA-N","395300",NA,"PDBC48456","699781","Present"
-"NSC699782","","","","","","","","","","","","","","","","","","","","NSC699782","","CCOC(=O)C1C2C3C(CC(ON3O1)OC4CCCCC4C5=CC=CC=C5)OC2=O","RWVCVKODZYXWHH-XJMRDUPHSA-N","395301",NA,"PDBC48457","699782","Present"
-"NSC699783","","","","","","","","","","","","","","","","","","","","NSC699783","","CCOC(=O)C1C2C3C(CC(ON3O1)OC4CCCCC4C5=CC=CC=C5)OC2=O","RWVCVKODZYXWHH-NBQNZARNSA-N","395302",NA,"PDBC48458","699783","Present"
-"NSC699784","","","","","","","","","","","","","","","","","","","","NSC699784","","CCOC(=O)C1C2C3C(CC(ON3O1)OC4CCCC4(C5=CC=CC=C5)C6=CC=CC=C6)OC2=O","HLZJVFBGLRFUNF-XWOCQQSKSA-N","395303",NA,"PDBC48459","699784","Present"
-"NSC699786","","","","","","","","","","","","","","","","","","","","NSC699786","","CCOC(=O)C1C2C3C(CC(ON3O1)OC4CCCC4(C5=CC=CC=C5)C6=CC=CC=C6)OC2=O","HLZJVFBGLRFUNF-CCGZYNPNSA-N","395305",NA,"PDBC48460","699786","Present"
-"NSC699789","","","","","","","","","","","","","","","","","","","","NSC699789","","CC(C)(C)OC(=O)C1C2C3C(CC(ON3O1)OC4CCCC4(C5=CC=CC=C5)C6=CC=CC=C6)OC2=O","SVPMUUDDWIKRTA-FCBUWFEXSA-N","395308",NA,"PDBC48461","699789","Present"
-"NSC699790","","","","","","","","","","","","","","","","","","","","NSC699790","","COC1C2C3C(O1)CCN3C(=O)C2OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","SUBQCFNTFGFEFN-ZQXRSDGYSA-N","395309",NA,"PDBC48462","699790","Present"
-"NSC699791","","","","","","","","","","","","","","","","","","","","NSC699791","","CC12C3CCC1C(ON2OC(C3)OC4CCCCC4C(C)(C)C5=CC=CC=C5)C(=O)OC","FZEZICHAKKZJHI-CZSMGWNOSA-N","395310",NA,"PDBC48463","699791","Present"
-"NSC699793","","","","","","","","","","","","","","","","","","","","NSC699793","","CS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2C3C4C(CCN4C2=O)OC3O","RMVPYUWQRUYMJQ-JPTLGQBTSA-N","395312",NA,"PDBC48464","699793","Present"
-"NSC699794","","","","","","","","","","","","","","","","","","","","NSC699794","","C1C(C2C3N1C(=O)C(C3C(O2)O)O)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","GGPSDYYEMJFGAM-VRZKMXGTSA-N","6712599",NA,"PDBC48465","699794","Present"
-"NSC699796","","","","","","","","","","","","","","","","","","","","NSC699796","","CC1=CC=C(C=C1)S(=O)(=O)OC2C3C4C(C(CN4C2=O)O)OC3OC","UHAYWCIBDZTMSA-XIQPXJICSA-N","395314",NA,"PDBC48466","699796","Present"
-"NSC699797","","","","","","","","","","","","","","","","","","","","NSC699797","","CCOC(=O)C1C2C3C(C(C(ON3O1)OC4CCCC4(C5=CC=CC=C5)C6=CC=CC=C6)OC(=O)C)OC2=O","CVEFFPKOIOBXQS-BMUFJFTRSA-N","6712600",NA,"PDBC48467","699797","Present"
-"NSC699799","","","","","","","","","","","","","","","","","","","","NSC699799","","CC(C)OC(=O)C1C2C3C(C(C(ON3O1)OC4CCCCC4C5=CC=CC=C5)[Si](C)(C)C6=CC=CC=C6)OC2=O","KCGKQMXAEDBFEJ-GJZXXNLKSA-N","395316",NA,"PDBC48468","699799","Present"
-"NSC699804","","","","","","","","","","","","","","","","","","","","NSC699804","","CC1(C2CCC1(C(=O)C2NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C)C","QDAWCNQBXDDCPC-UYJPIKCFSA-N","395322",NA,"PDBC48469","699804","Present"
-"NSC699807","","","","","","","","","","","","","","","","","","","","NSC699807","","CC1(C2CCC1(C(C2NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O)C)C","LUMSGJBXGPZDQX-IOSBVQAASA-N","395325",NA,"PDBC48470","699807","Present"
-"NSC699812","","","","","","","","","","","","","","","","","","","","NSC699812","","CCC(=COC)P1(=O)N(CC(O1)(C)C)C(C)(C)C","OFXVJBOEFWIBKG-LUAWRHEFSA-N","5470344",NA,"PDBC48471","699812","Present"
-"NSC699820","","","","","","","","","","","","","","","","","","","","NSC699820","","C1CCC(C(C1)NS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])NS(=O)(=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]","SYLBEXNEKUBWKT-ZIAGYGMSSA-N","395338",NA,"PDBC48472","699820","Present"
-"NSC699822","","","","","","","","","","","","","","","","","","","","NSC699822","","C1CCC23CCCN2C(=O)C(C3C1)OC(=S)C=NC=N","YYPRZTMOWBWZIK-VHRBIJSZSA-N","395340",NA,"PDBC48473","699822","Present"
-"NSC699823","","","","","","","","","","","","","","","","","","","","NSC699823","","C1CCC23CCCN2C(=O)C(C3C1)O","NUSRHDNAFJUQLF-ATZCPNFKSA-N","395341",NA,"PDBC48474","699823","Present"
-"NSC699824","","","","","","","","","","","","","","","","","","","","NSC699824","","C1CC2C(C(=O)N3C2(C1)CCC3)O","FBWXWTXDJFZJGE-QXFUBDJGSA-N","395342",NA,"PDBC48475","699824","Present"
-"NSC699828","","","","","","","","","","","","","","","","","","","","NSC699828","","CC(C)N1C2CCCCC2N([P+]1=O)C(C)C","AZZWVFOPRQJZRS-VXGBXAGGSA-N","6331596",NA,"PDBC48476","699828","Present"
-"NSC699834","","","","","","","","","","","","","","","","","","","","NSC699834","","CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1(C(=O)CO)O)C)C","ZYTXTXAMMDTYDQ-AKXKBWEISA-N","395352",NA,"PDBC48477","699834","Present"
-"NSC699842","","","","","","","","","","","","","","","","","","","","NSC699842","","CCCCCCCCCCCCN1C2CCCC2C(C3C1CCC3)O","CRTCJIUVJGSNJR-CZYKHXBRSA-N","395360",NA,"PDBC48478","699842","Present"
-"NSC699843","","","","","","","","","","","","","","","","","","","","NSC699843","","CCOC(=O)N1C2CCCC2C(=O)C3C1CCC3","ZCVIPGRYPWCRPU-IWDIQUIJSA-N","395361",NA,"PDBC48479","699843","Present"
-"NSC699981","","","","","","","","","","","","","","","","","","","","NSC699981","","CC(C)(C)OC(=O)NC1CCCCC12N(O2)C(CC3=CC=CC=C3)C(=O)OC","FHGQYJRGXRTTCZ-QNADOQGOSA-N","5470356",NA,"PDBC48480","699981","Present"
-"NSC700120","","","","","","","","","","","","","","","","","","","","NSC700120","","COC(=O)C1C(C1(CBr)Br)C(=O)OC","DOUBHCUUZBHXSK-YLTAPMQJSA-N","395479",NA,"PDBC48481","700120","Present"
-"NSC700121","","","","","","","","","","","","","","","","","","","","NSC700121","","C(C1(C(C1C(=O)O)C(=O)O)Br)Br","YWURKUHKITZMCF-LYEKHPTQSA-N","395480",NA,"PDBC48482","700121","Present"
-"NSC700125","","","","","","","","","","","","","","","","","","","","NSC700125","","C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)C3=CC=CS3","PUBVTYYUBAGESR-RAXLEYEMSA-N","54611349",NA,"PDBC48483","700125","Present"
-"NSC700205","","","","","","","","","","","","","","","","","","","","NSC700205","","C1=CC=C(C=C1)C(=O)C=CC2=CSC=C2","UREUCWDGXKLIIY-SREVYHEPSA-N","54608846",NA,"PDBC48484","700205","Present"
-"NSC700206","","","","","","","","","","","","","","","","","","","","NSC700206","","C1=CC=C(C=C1)C2=CC=CC=C2C=CC(=O)C3=CC=CC=C3","QNCVIMGJHDEDAS-NXVVXOECSA-N","54611352",NA,"PDBC48485","700206","Present"
-"NSC700207","","","","","","","","","","","","","","","","","","","","NSC700207","","C1COC(O1)(C=CC2=CC=CC=C2Br)C3=CC=CC=C3","FJZFNDZAOAMIOQ-KHPPLWFESA-N","54611351",NA,"PDBC48486","700207","Present"
-"NSC700208","","","","","","","","","","","","","","","","","","","","NSC700208","","C1COC(O1)(C=CC2=CC=CC=C2Cl)C3=CC=CC=C3","GWTDYTWDOROIAI-KHPPLWFESA-N","54611353",NA,"PDBC48487","700208","Present"
-"NSC700267","","","","","","","","","","","","","","","","","","","","NSC700267","","C1C(NC2=CC3=C(C=C2C1=O)OCO3)C4=CC(=CC=C4)F","IJYJIPDFDHBJTD-UHFFFAOYSA-N","395561",NA,"PDBC48488","700267","Present"
-"NSC700360","","","","","","","","","","","","","","","","","","","","NSC700360","","C1=CC(=C(C2=C1C(=O)C(=C3C(=O)C4=C(S3)C(=C(C=C4)Cl)Cl)S2)Cl)Cl","LQBJALMMLCOKRD-FOCLMDBBSA-N","5470369",NA,"PDBC48489","700360","Present"
-"NSC700362","","","","","","","","","","","","","","","","","","","","NSC700362","","C(#N)C(=C(C#N)NC(=O)C(=O)NC(=C(C#N)N)C#N)N","CZVFLHJYNNNIAJ-SFECMWDFSA-N","5470370",NA,"PDBC48490","700362","Present"
-"NSC700421","","","","","","","","","","","","","","","","","","","","NSC700421","","C1CCC2C(C1)NC(=N2)C3=C(C4=CC=CC=C4C=C3)O","QALFKDRUYAMBAW-GJZGRUSLSA-N","395639",NA,"PDBC48491","700421","Present"
-"NSC700428","","","","","","","","","","","","","","","","","","","","NSC700428","","C1CCC2C(C1)NC3(N2C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl","MXXCXERMDNXHFJ-ZOVQDZKKSA-N","395646",NA,"PDBC48492","700428","Present"
-"NSC700429","","","","","","","","","","","","","","","","","","","","NSC700429","","C1CCC2C(C1)NC3(N2C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl","MXXCXERMDNXHFJ-IJXZTRCJSA-N","395647",NA,"PDBC48493","700429","Present"
-"NSC700462","","","","","","","","","","","","","","","","","","","","NSC700462","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)SCCO","NZEUEGWIRIHOQF-UHFFFAOYSA-N","395678",NA,"PDBC48494","700462","Present"
-"NSC700464","","","","","","","","","","","","","","","","","","","","NSC700464","","COC(=O)C12CSCC1CC(N2)C3=CC=CC4=CC=CC=C43","VXKODLAINABPIV-QBIMZIAESA-N","395680",NA,"PDBC48495","700464","Present"
-"NSC700582","","","","","","","","","","","","","","","","","","","","NSC700582","","CCCCN1C2=C(N(C1=S)CCCC)SSSSC3=C2N(C(=S)N3CCCC)CCCC","VHDXPGUSRCEYPD-UHFFFAOYSA-N","395763",NA,"PDBC48496","700582","Present"
-"NSC700583","","","","","","","","","","","","","","","","","","","","NSC700583","","CCCCN1C2=C(N(C1=S)CCCC)S[Se][Se]SC3=C2N(C(=S)N3CCCC)CCCC","RHAPOTFDYQZEFQ-UHFFFAOYSA-N","395764",NA,"PDBC48497","700583","Present"
-"NSC700584","","","","","","","","","","","","","","","","","","","","NSC700584","","CCCCN1C2=C(N(C1=[Se])CCCC)S[Se][Se]SC3=C2N(C(=[Se])N3CCCC)CCCC","DNFLZCXMDHRDQI-UHFFFAOYSA-N","395765",NA,"PDBC48498","700584","Present"
-"NSC700834","","","","","","","","","","","","","","","","","","","","NSC700834","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)(CC=C)O","UBGWTWUGHWCZRU-UHFFFAOYSA-N","395831",NA,"PDBC48499","700834","Present"
-"NSC700835","","","","","","","","","","","","","","","","","","","","NSC700835","","CC(C)(C)[Si](C)(C)OCC1C(=NO)C(C(O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C","HRGRFZLKWPCHPI-XQNSMLJCSA-N","6049082",NA,"PDBC48500","700835","Present"
-"NSC700836","","","","","","","","","","","","","","","","","","","","NSC700836","","CC(C)(C)[Si](C)(C)OCC1C(=CC(=O)OC)C(C(O1)N2C=CC(=O)NC2=O)O","PTJIYYNOAIUMBK-PKNBQFBNSA-N","5470397",NA,"PDBC48501","700836","Present"
-"NSC700838","","","","","","","","","","","","","","","","","","","","NSC700838","","CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)CC=C)O[Si](C)(C)C(C)(C)C","ZUYKHQFLMLDXJZ-UHFFFAOYSA-N","395835",NA,"PDBC48502","700838","Present"
-"NSC700839","","","","","","","","","","","","","","","","","","","","NSC700839","","CC1=CN(C(=O)NC1=O)C2CCC(O2)C=NO","XORFVXOEVUYCGG-WCIBSUBMSA-N","5925915",NA,"PDBC48503","700839","Present"
-"NSC700860","","","","","","","","","","","","","","","","","","","","NSC700860","","C1C(C2=C(SC(=C2C1N)Cl)Cl)N.Cl","BLDRQISQYVPXEO-JZXMGJPMSA-N","395857",NA,"PDBC48504","700860","Present"
-"NSC700974","","","","","","","","","","","","","","","","","","","","NSC700974","","CC1=NC(C(O1)C=CC2=CC=CC=C2)(C(=O)OC)C(=O)OC","YYPSNIAHFHRRQM-MDZDMXLPSA-N","5470401",NA,"PDBC48505","700974","Present"
-"NSC701373","","","","","","","","","","","","","","","","","","","","NSC701373","","COC1=CC=C(C2=CC=CC=C21)C3=C(C(=O)NC(=C3)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)Cl)C#N","JFDBHILMMOEWCY-UHFFFAOYSA-N","396046",NA,"PDBC48506","701373","Present"
-"NSC701375","","","","","","","","","","","","","","","","","","","","NSC701375","","C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)NC4=C5C=CC(=CC5=NC=C4)Cl","BWJPZFXOFSDRLV-UHFFFAOYSA-N","396048",NA,"PDBC48507","701375","Present"
-"NSC701651","","","","","","","","","","","","","","","","","","","","NSC701651","","CC1C(C(OC1=O)CC(=C)CCCC#C)O","VJPQHRQHUZSTKG-WOPDTQHZSA-N","396103",NA,"PDBC48508","701651","Present"
-"NSC701652","","","","","","","","","","","","","","","","","","","","NSC701652","","CC1C(OC1=O)C(CO)O","SKLYVWVURSIBBW-VPENINKCSA-N","396104",NA,"PDBC48509","701652","Present"
-"NSC701654","","","","","","","","","","","","","","","","","","","","NSC701654","","CC1C(OC1=O)C2COC(O2)(C)C","WYDQMXPRLKNDOT-QYNIQEEDSA-N","396106",NA,"PDBC48510","701654","Present"
-"NSC701655","","","","","","","","","","","","","","","","","","","","NSC701655","","CN(C)C1=CC=C(C=C1)C2CC3CSCC3(N2)C(=O)OC","WTSUOXOXGJZUOL-XPKDYRNWSA-N","396107",NA,"PDBC48511","701655","Present"
-"NSC701663","","","","","","","","","","","","","","","","","","","","NSC701663","","C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)Br)CCCCCCN.Cl","LLCAGEIEKQMTHS-UHFFFAOYSA-N","396115",NA,"PDBC48512","701663","Present"
-"NSC701667","","","","","","","","","","","","","","","","","","","","NSC701667","","COC1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2CC(C4=CC=C(C=C4)[N+](=O)[O-])O.Br","KHDAVVWQNWURHQ-UHFFFAOYSA-N","396121",NA,"PDBC48513","701667","Present"
-"NSC701669","","","","","","","","","","","","","","","","","","","","NSC701669","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=C(C=C(C=C4)Cl)Cl)CC=C.Cl","SNAYKGPUHVQHKV-UHFFFAOYSA-N","396124",NA,"PDBC48514","701669","Present"
-"NSC701671","","","","","","","","","","","","","","","","","","","","NSC701671","","CC1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2NC(=O)C4=CC=NC=C4.Br","XAMKGTHSHZWQOP-UHFFFAOYSA-N","396127",NA,"PDBC48515","701671","Present"
-"NSC701673","","","","","","","","","","","","","","","","","","","","NSC701673","","CC1(C2CCC(C2)(C1=NO)OS(=O)(=O)C(F)(F)F)C","BNBHUGMYSUJSBV-VGOFMYFVSA-N","5493593",NA,"PDBC48516","701673","Present"
-"NSC701675","","","","","","","","","","","","","","","","","","","","NSC701675","","CC1(C2CCC(C2)(C1N)O)C.Cl","JUNNQPOESOTURL-UHFFFAOYSA-N","396131",NA,"PDBC48517","701675","Present"
-"NSC701676","","","","","","","","","","","","","","","","","","","","NSC701676","","CC1(C2CCC(C2)(C1=NO)C#N)C","NUXOVZRBOZONAS-XYOKQWHBSA-N","5493594",NA,"PDBC48518","701676","Present"
-"NSC701678","","","","","","","","","","","","","","","","","","","","NSC701678","","CC1(C2CCC(C2)(C1O)CN)C.Cl","QGKBZBJZBZKNKG-UHFFFAOYSA-N","396134",NA,"PDBC48519","701678","Present"
-"NSC701679","","","","","","","","","","","","","","","","","","","","NSC701679","","CC1(C2CCC(C2)(C1N)CN)C.Cl","LIXPGOXVZFFJNT-UHFFFAOYSA-N","396136",NA,"PDBC48520","701679","Present"
-"NSC701680","","","","","","","","","","","","","","","","","","","","NSC701680","","CC1(C2CCC(C2)(C1=O)N)C.Cl","LUPDNPNKLGXMEW-UHFFFAOYSA-N","396138",NA,"PDBC48521","701680","Present"
-"NSC701681","","","","","","","","","","","","","","","","","","","","NSC701681","","CC1(C2CCC(C2)(C1O)N)C.Cl","BMGQITKCULFLGP-UHFFFAOYSA-N","396140",NA,"PDBC48522","701681","Present"
-"NSC701683","","","","","","","","","","","","","","","","","","","","NSC701683","","CCNC12CCC(C1)C(C2=O)(C)C.Cl","RVUPGLTZCNZOAZ-UHFFFAOYSA-N","396144",NA,"PDBC48523","701683","Present"
-"NSC701731","","","","","","","","","","","","","","","","","","","","NSC701731","","CC1=CC=C(C=C1)S(=O)(=O)C(C2C(=NNC(=N2)Cl)C3=CC=CC=C3)Cl","AAIPRLLMKGLEMW-JKSUJKDBSA-N","396183",NA,"PDBC48524","701731","Present"
-"NSC701821","","","","","","","","","","","","","","","","","","","","NSC701821","","CC12CCC3C(C1CC(=CC4=CC=C(C=C4)N(C)C)C2=O)CCC5=C3C=CC(=C5)OCCN6CCCC6","FERACRKRUZXFEH-PXCKSRRXSA-N","5470449",NA,"PDBC48525","701821","Present"
-"NSC701822","","","","","","","","","","","","","","","","","","","","NSC701822","","CC12CCC3C(C1CC(=CC4=CC=C(C=C4)N(C)C)C2O)CCC5=C3C=CC(=C5)OCCN6CCCC6","QDFSIARIDWFWDY-ACNHUZAFSA-N","5470450",NA,"PDBC48526","701822","Present"
-"NSC701982","","","","","","","","","","","","","","","","","","","","NSC701982","","C1C(C(C(C2N1C(=O)C3=CC=CC=C23)CC(=O)O)O)O","YHXBPVSAPMNQKR-YRRQLQLVSA-N","396284",NA,"PDBC48527","701982","Present"
-"NSC701983","","","","","","","","","","","","","","","","","","","","NSC701983","","C1C2C(C(CN3C2C4=CC=CC=C4C3=O)O)OC1=O","JGUUJQHFPZOMFV-LYIQGSDWSA-N","396285",NA,"PDBC48528","701983","Present"
-"NSC702027","","","","","","","","","","","","","","","","","","","","NSC702027","","C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=NN3C(=O)C4=CC=CC=C4NC3=S)N","DXZALFIVDJFYQB-UHFFFAOYSA-N","5494384",NA,"PDBC48529","702027","Present"
-"NSC703220","","","","","","","","","","","","","","","","","","","","NSC703220","","CCCCC1C(COC(=O)N1C(C)C2=CC=CC=C2)OCOC3=CC=CC=C3","XITOSKZITWWJNN-COPCDDAFSA-N","396691",NA,"PDBC48530","703220","Present"
-"NSC703981","","","","","","","","","","","","","","","","","","","","NSC703981","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NC(COC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C","DYNBPLCSQQIQFD-IWFCCWKRSA-N","6475307",NA,"PDBC48531","703981","Present"
-"NSC703982","","","","","","","","","","","","","","","","","","","","NSC703982","","CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NC(COC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C","DYNBPLCSQQIQFD-GNLSCFOOSA-N","6475305",NA,"PDBC48532","703982","Present"
-"NSC704381","","","","","","","","","","","","","","","","","","","","NSC704381","","CC1CCC2C(CC3C2(C1=O)C(=O)C4(C3C(OC4=O)(C)C)C)C","LUSIDMIZRMEVBC-CLKWZOJHSA-N","397071",NA,"PDBC48533","704381","Present"
-"NSC704887","","","","","","","","","","","","","","","","","","","","NSC704887","","CCOC(=O)CN1C(=O)C(=CN(C1=O)C(=CC(=O)OCC)C(=O)OCC)Cl","BOMIWOJHWUDZFZ-XFFZJAGNSA-N","5470767",NA,"PDBC48534","704887","Present"
-"NSC704888","","","","","","","","","","","","","","","","","","","","NSC704888","","CCOC(=O)CN1C(=O)C(=CN(C1=O)C(=CC(=O)OCC)C(=O)OCC)Cl","BOMIWOJHWUDZFZ-YRNVUSSQSA-N","5470768",NA,"PDBC48535","704888","Present"
-"NSC705151","","","","","","","","","","","","","","","","","","","","NSC705151","","","","",NA,"PDBC48536","705151","Present"
-"NSC705435","","","","","","","","","","","","","","","","","","","","NSC705435","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)C7=CC=C(C=C7)C=NC8C9COC(=O)C9C(C1=CC2=C(C=C81)OCO2)C1=CC(=C(C(=C1)OC)O)OC)O)OC(=O)C1=CC=CC=C1)(CO4)OC(=O)C)O)C)OC(=O)C","NVWULXHPCFPAAV-VKGQPIDTSA-N","16129931",NA,"PDBC48537","705435","Present"
-"NSC705437","","","","","","","","","","","","","","","","","","","","NSC705437","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)C7=CC=C(C=C7)C=NC8=CC=C(C=C8)NC9C1COC(=O)C1C(C1=CC2=C(C=C91)OCO2)C1=CC(=C(C(=C1)OC)O)OC)O)OC(=O)C1=CC=CC=C1)(CO4)OC(=O)C)O)C)OC(=O)C","SSPVPDMBKRINOE-DNZTZBJBSA-N","16129933",NA,"PDBC48538","705437","Present"
-"NSC705585","","","","","","","","","","","","","","","","","","","","NSC705585","","COC1=CC(=CC(=C1O)OC)C=C2CCCC(=CC3=CC(=C(C(=C3)OC)O)OC)C2=O","QMHMTEMGAVZCQH-GONBZBRSSA-N","5470821",NA,"PDBC48539","705585","Present"
-"NSC705588","","","","","","","","","","","","","","","","","","","","NSC705588","","C1CC(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C1","FOIOQZCMZJVONY-VOMDNODZSA-N","5470824",NA,"PDBC48540","705588","Present"
-"NSC705591","","","","","","","","","","","","","","","","","","","","NSC705591","","COC1=CC(=CC(=C1O)OC)C=C2CCC(=CC3=CC(=C(C(=C3)OC)O)OC)C2=O","RZFRGTCAMDRPMQ-BGPOSVGRSA-N","2407524",NA,"PDBC48541","705591","Present"
-"NSC705593","","","","","","","","","","","","","","","","","","","","NSC705593","","COC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)OC(=O)CCCCC4CCSS4)OC)C2=O)OC(=O)CCCCC5CCSS5","MXHCYEXTUGNNNW-UFSUQUSASA-N","5470827",NA,"PDBC48542","705593","Present"
-"NSC706007","","","","","","","","","","","","","","","","","","","","NSC706007","","","","",NA,"PDBC48543","706007","Present"
-"NSC706008","","","","","","","","","","","","","","","","","","","","NSC706008","","","","",NA,"PDBC48544","706008","Present"
-"NSC706018","","","","","","","","","","","","","","","","","","","","NSC706018","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4O)C)N6CCCC6","SREDURSYPQFHFS-QWXPEDGLSA-N","5470873",NA,"PDBC48545","706018","Present"
-"NSC706020","","","","","","","","","","","","","","","","","","","","NSC706020","","CC(=O)OC1C(=CC2=CC(=C(C(=C2)OC)OC)OC)CC3C1(CCC4C3CC=C5C4(CCC(C5)N6CCCC6)C)C","QFROOHUZVMEHOF-IVASFTFCSA-N","5470875",NA,"PDBC48546","706020","Present"
-"NSC706089","","","","","","","","","","","","","","","","","","","","NSC706089","","CC1=CN(C(=O)NC1=O)C2C(C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(O3)C(=O)OC)O[Si](C)(C)C(C)(C)C","CEHRWWGFCKISDJ-XVAUCBHCSA-N","397689",NA,"PDBC48547","706089","Present"
-"NSC706090","","","","","","","","","","","","","","","","","","","","NSC706090","","CC1=CN(C(=O)NC1=O)C2C(C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(O3)C(=O)NO)O[Si](C)(C)C(C)(C)C","JHZRGFANOMJGNP-CDKUKRTFSA-N","397690",NA,"PDBC48548","706090","Present"
-"NSC706091","","","","","","","","","","","","","","","","","","","","NSC706091","","CC1=CN(C(=O)NC1=O)C2C(C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(O3)C(=O)NN)O[Si](C)(C)C(C)(C)C","VCJKQDMIZKSJHQ-CDKUKRTFSA-N","397691",NA,"PDBC48549","706091","Present"
-"NSC706214","","","","","","","","","","","","","","","","","","","","NSC706214","","CN1CC(=CC2=CC=C(C=C2)OC)C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=C(C=C4)OC","SJNWCMXOUUWCKT-LDADJPATSA-N","5470917",NA,"PDBC48550","706214","Present"
-"NSC707410","","","","","","","","","","","","","","","","","","","","NSC707410","","CC1C(C(C(C(O1)NCCNCCNC2C(C(C(C(O2)C)O)O)O)O)O)O.Cl","SJGLVSJACVFEBZ-UHFFFAOYSA-N","398070",NA,"PDBC48551","707410","Present"
-"NSC708048","","","","","","","","","","","","","","","","","","","","NSC708048","","CCOC(=O)C=CC(C#N)(C#N)N=CC1=CSC=C1","VLICLSDQVFWEPK-LEGCWVATSA-N","5471063",NA,"PDBC48552","708048","Present"
-"NSC708069","","","","","","","","","","","","","","","","","","","","NSC708069","","","","",NA,"PDBC48553","708069","Present"
-"NSC710499","","","","","","","","","","","","","","","","","","","","NSC710499","","C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN(N=N4)COCCO","SFGCUMYIORUHLM-UHFFFAOYSA-N","399602",NA,"PDBC48554","710499","Present"
-"NSC710510","","","","","","","","","","","","","","","","","","","","NSC710510","","C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN=NN4COCCO","UOJLLMJLQIYHCM-UHFFFAOYSA-N","399613",NA,"PDBC48555","710510","Present"
-"NSC71071","","","","","","","","","","","","","","","","","","","","NSC71071","","CC1=NC=C(C2=C1OC(OC2)(C)C)CCl.Cl","MBHPZUUGVMVQMH-UHFFFAOYSA-N","9549383",NA,"PDBC48556","71071","Present"
-"NSC71284","","","","","","","","","","","","","","","","","","","","NSC71284","","CC1=CC(=NC(=N1)SC)NC2=CC(=C(C=C2)O)CN3CCCCC3.Cl","JYKCIWOIKFNXQI-UHFFFAOYSA-N","54599472",NA,"PDBC48557","71284","Present"
-"NSC714616","","","","","","","","","","","","","","","","","","","","NSC714616","","C1CCC2C(C1)NC(=N2)C3=CC=C(C=C3)C4=CC=C(O4)C5=CC=C(C=C5)C6=NC7CCCCC7N6.Cl","BOVXUVYXOWEMOL-UHFFFAOYSA-N","401311",NA,"PDBC48558","714616","Present"
-"NSC714620","","","","","","","","","","","","","","","","","","","","NSC714620","","C1CNC(=NC1)C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C5=NCCCN5.Cl","XBRMRYUCTDAXDS-UHFFFAOYSA-N","401319",NA,"PDBC48559","714620","Present"
-"NSC716337","","","","","","","","","","","","","","","","","","","","NSC716337","","C1=CC=C2C(=C1)NC(=N2)C3=NC(=C(C(=C3)C4=CC=C(C=C4)Cl)C#N)N","XMEACCGGSORKKT-UHFFFAOYSA-N","402406",NA,"PDBC48560","716337","Present"
-"NSC716728","","","","","","","","","","","","","","","","","","","","NSC716728","","C1C(C(C=C2C1N3CC2C4=CC5=C(C=C4C3)OCO5)O)O","JKZMYBLUKAMPKM-YIOUJQMASA-N","402598",NA,"PDBC48561","716728","Present"
-"NSC719177","","","","","","","","","","","","","","","","","","","","NSC719177","","C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O","PRCFXVMFLBVZKE-UHFFFAOYSA-N","403758",NA,"PDBC48562","719177","Present"
-"NSC719660","","","","","","","","","","","","","","","","","","","","NSC719660","","CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O","QKQPGPKZAJNBSC-UHFFFAOYSA-N","403924",NA,"PDBC48563","719660","Present"
-"NSC720297","","","","","","","","","","","","","","","","","","","","NSC720297","","CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC(CC6)C(C)(C)C)OO5)C)OC(=O)C)OC(=O)C)C","ZSWHWOUNGHFRGZ-ICZCLJNZSA-N","404156",NA,"PDBC48564","720297","Present"
-"NSC720299","","","","","","","","","","","","","","","","","","","","NSC720299","","CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCC6)OO5)C)OC(=O)C)OC(=O)C)C","UBDMUQYNTPAHHZ-BEJKWQIXSA-N","404157",NA,"PDBC48565","720299","Present"
-"NSC720300","","","","","","","","","","","","","","","","","","","","NSC720300","","CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","DKMPSZABQRXVTG-GTPWXSJUSA-N","404158",NA,"PDBC48566","720300","Present"
-"NSC720385","","","","","","","","","","","","","","","","","","","","NSC720385","","CCCNC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC(CC6)C)OO5)C)OC(=O)C)OC(=O)C)C","ABAPNRUCCZDZNU-NVFKIIEZSA-N","404218",NA,"PDBC48567","720385","Present"
-"NSC720860","","","","","","","","","","","","","","","","","","","","NSC720860","","CC1=CC(=NN1CN(CN2C(=CC(=N2)C(=O)OC)C)C3=CC=CC=C3)C(=O)OC","HTMVSPCHLDSQIG-UHFFFAOYSA-N","404564",NA,"PDBC48568","720860","Present"
-"NSC720861","","","","","","","","","","","","","","","","","","","","NSC720861","","CC1=CC(=NN1CN(CC2=CC=CC=C2)CN3C(=CC(=N3)C(=O)OC)C)C(=O)OC","AWYKLKAWXLDPRL-UHFFFAOYSA-N","404565",NA,"PDBC48569","720861","Present"
-"NSC721390","","","","","","","","","","","","","","","","","","","","NSC721390","","CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(N(C)CCCCCl)OCC3=CC=C(O3)[N+](=O)[O-]","DYYRKAGSONLDMO-UHFFFAOYSA-N","404846",NA,"PDBC48570","721390","Present"
-"NSC722858","","","","","","","","","","","","","","","","","","","","NSC722858","","C1CC2=C(CCC1=O)C3=C(C4=CC=CC=C4N3)C5=C2C(=O)NC5=O","CVTAAFYDYQVXMP-UHFFFAOYSA-N","405501",NA,"PDBC48571","722858","Present"
-"NSC722859","","","","","","","","","","","","","","","","","","","","NSC722859","","C1CC2=C(CCC1O)C3=C(C4=CC=CC=C4N3CCCN)C5=C2C(=O)NC5=O.C(=O)(C(F)(F)F)O","OIWSZEJNQCRDSJ-UHFFFAOYSA-N","405502",NA,"PDBC48572","722859","Present"
-"NSC723154","","","","","","","","","","","","","","","","","","","","NSC723154","","CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)S(=O)(=O)NC#N.[K+]","PISLCJUKPBCFFU-DJILMAANSA-N","54612558",NA,"PDBC48573","723154","Present"
-"NSC723155","","","","","","","","","","","","","","","","","","","","NSC723155","","CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)S(=O)(=O)N","AAJYRZAVXMUIKB-QQTULTPQSA-N","9572648",NA,"PDBC48574","723155","Present"
-"NSC723326","","","","","","","","","","","","","","","","","","","","NSC723326","","COC12CC(OC1NC(=O)N2)CNC(=O)C3=CC(=CN3)Br","WRJYHSZMHSXLMX-JWYUURKGSA-N","405751",NA,"PDBC48575","723326","Present"
-"NSC723327","","","","","","","","","","","","","","","","","","","","NSC723327","","COC12CC(OC1NC(=O)N2)CNC(=O)C3=CC(=CN3)Br","WRJYHSZMHSXLMX-HNBZJPLGSA-N","405752",NA,"PDBC48576","723327","Present"
-"NSC723387","","","","","","","","","","","","","","","","","","","","NSC723387","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC=CC=C5C(=O)N4CCCN.Cl","GXCGKOMCESZDHE-UHFFFAOYSA-N","11176599",NA,"PDBC48577","723387","Present"
-"NSC723828","","","","","","","","","","","","","","","","","","","","NSC723828","","C1N2C3=C(C=C(C=C3)F)SC2=NC4=[N+]1C5=C(S4)C=C(C=C5)F.[I-]","HHTXITIKGUSMPZ-UHFFFAOYSA-M","405974",NA,"PDBC48578","723828","Present"
-"NSC723829","","","","","","","","","","","","","","","","","","","","NSC723829","","CC1=CC2=C(C=C1)N3C[N+]4=C(N=C3S2)SC5=C4C=CC(=C5)C.[I-]","LVWFFGWGFUQATF-UHFFFAOYSA-M","405976",NA,"PDBC48579","723829","Present"
-"NSC724235","","","","","","","","","","","","","","","","","","","","NSC724235","","CC1=CN(C(=O)NC1=O)CC2=CC=CC=C2CCl","LROKUAILKNNSOC-UHFFFAOYSA-N","406205",NA,"PDBC48580","724235","Present"
-"NSC724237","","","","","","","","","","","","","","","","","","","","NSC724237","","C1=CC=C(C(=C1)CN2C=CC(=O)NC2=O)CCl","FVJWPQKWQKXGGC-UHFFFAOYSA-N","406207",NA,"PDBC48581","724237","Present"
-"NSC724242","","","","","","","","","","","","","","","","","","","","NSC724242","","C1=CC=C(C=C1)SC2=CN(C(=O)NC2=O)CC3=CC=CC=C3CO","WXWLUVBPCAKXFZ-UHFFFAOYSA-N","406212",NA,"PDBC48582","724242","Present"
-"NSC724319","","","","","","","","","","","","","","","","","","","","NSC724319","","C1COC2=C(C=CC3=CC=CC=C32)C(=O)C1=CC4=CC=C(C=C4)F","KHRCDZMUZADODR-SSZFMOIBSA-N","5473168",NA,"PDBC48583","724319","Present"
-"NSC724612","","","","","","","","","","","","","","","","","","","","NSC724612","","C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(N5C(=O)C(=CC6=CC=C(C=C6)F)SC5=N4)C7=CC=C(C=C7)F","FCKNHCNZAPLMMG-YZSQISJMSA-N","5473236",NA,"PDBC48584","724612","Present"
-"NSC724635","","","","","","","","","","","","","","","","","","","","NSC724635","","C1=CC=C2C(=C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CN4CCCCNC(CO)(CO)CO)O","BASKDUHPCSDCJY-UHFFFAOYSA-N","406508",NA,"PDBC48585","724635","Present"
-"NSC724653","","","","","","","","","","","","","","","","","","","","NSC724653","","CC1=C(C=CC(=C1)OCC2=NN(C(=S)N2N=CC3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])CN5CCOCC5)Cl","FZQQDBUEGMHOON-WKULSOCRSA-N","9572715",NA,"PDBC48586","724653","Present"
-"NSC724654","","","","","","","","","","","","","","","","","","","","NSC724654","","CN1CCN(CC1)CN2C(=S)N(C=N2)N=CC3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-]","IAMSLMIVOFODIQ-CIAFOILYSA-N","9572716",NA,"PDBC48587","724654","Present"
-"NSC724655","","","","","","","","","","","","","","","","","","","","NSC724655","","CC1=NN(C(=S)N1N=CC2=CC=C(O2)C3=C(C=C(C=C3)OC)[N+](=O)[O-])CN4CCN(CC4)C","MOWTUBMCMNYICU-LPYMAVHISA-N","9572717",NA,"PDBC48588","724655","Present"
-"NSC724656","","","","","","","","","","","","","","","","","","","","NSC724656","","CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)N=CC4=CC=C(O4)C5=C(C=C(C=C5)OC)[N+](=O)[O-]","LHZRGDQYNKQTFK-MUFRIFMGSA-N","9572718",NA,"PDBC48589","724656","Present"
-"NSC724657","","","","","","","","","","","","","","","","","","","","NSC724657","","CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=C(C=C(C=C3)Cl)Cl)N=CC4=CC=C(O4)C5=C(C=C(C=C5)OC)[N+](=O)[O-]","WJCBXHNAPCZDLE-FJEPWZHXSA-N","9572719",NA,"PDBC48590","724657","Present"
-"NSC724658","","","","","","","","","","","","","","","","","","","","NSC724658","","COC1=CC(=C(C=C1)C2=CC=C(O2)C3CC(=NN3)C4=CC=CC=C4)[N+](=O)[O-]","SSWSRHPPTXNZPM-UHFFFAOYSA-N","406528",NA,"PDBC48591","724658","Present"
-"NSC724659","","","","","","","","","","","","","","","","","","","","NSC724659","","COC1=CC(=C(C=C1)C2=CC=C(O2)C3CC(=NN3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]","VRRWJDGGZAHBNA-UHFFFAOYSA-N","406529",NA,"PDBC48592","724659","Present"
-"NSC724662","","","","","","","","","","","","","","","","","","","","NSC724662","","COC1=CC=C(C=C1)C2=NNC(C2)C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-]","AAOPEWFYDGSQMN-UHFFFAOYSA-N","406532",NA,"PDBC48593","724662","Present"
-"NSC724663","","","","","","","","","","","","","","","","","","","","NSC724663","","COC1=CC(=C(C=C1)C2=CC=C(O2)C3CC(=NN3)C4=CC=C(C=C4)O)[N+](=O)[O-]","TYQKHBHWNXWQGY-UHFFFAOYSA-N","406533",NA,"PDBC48594","724663","Present"
-"NSC725053","","","","","","","","","","","","","","","","","","","","NSC725053","","CCOC(=O)C(=CC=C(C1=CC=C(C=C1)Cl)Cl)C#N","TYWWSJQBRVLWBB-XVHQLPPBSA-N","5473317",NA,"PDBC48595","725053","Present"
-"NSC725063","","","","","","","","","","","","","","","","","","","","NSC725063","","C1=CC(=CC=C1C(=CC=C(C#N)C(=O)N)Cl)Cl","QOQMSTNLZICRRC-MVCJUDCXSA-N","5473326",NA,"PDBC48596","725063","Present"
-"NSC725091","","","","","","","","","","","","","","","","","","","","NSC725091","","CC(=O)OCC1C(C(C(C(O1)OC2CCCC[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","CUNDPQXGKXJOQN-UHFFFAOYSA-N","406795",NA,"PDBC48597","725091","Present"
-"NSC725259","","","","","","","","","","","","","","","","","","","","NSC725259","","CC(C(=O)OC)NP(=O)(OCC1=CC=CC(=C1)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4","AFSQWNSEFKKSMR-UHFFFAOYSA-N","406929",NA,"PDBC48598","725259","Present"
-"NSC725260","","","","","","","","","","","","","","","","","","","","NSC725260","","CC(C(=O)OC)NP(=O)(OCC1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4","XTINJMMWLJQYDK-UHFFFAOYSA-N","406930",NA,"PDBC48599","725260","Present"
-"NSC725262","","","","","","","","","","","","","","","","","","","","NSC725262","","CC(C(=O)OC)NP(=O)(OCC1=CC=C(C=C1)CN2C=NC3=C2N=C(NC3=O)N)OC4=CC=CC=C4","WVCINWVUBNUYFL-UHFFFAOYSA-N","135436468",NA,"PDBC48600","725262","Present"
-"NSC72528","","","","","","","","","","","","","","","","","","","","NSC72528","","C1CNCCC1C2=CC=C(C=C2)C=NN=C(N)N.Cl","FEAOYHFRZLQHKU-WPTDRQDKSA-N","54609727",NA,"PDBC48601","72528","Present"
-"NSC72533","","","","","","","","","","","","","","","","","","","","NSC72533","","C1=CC(=C(C=C1C=NN=C(N)N)C(=O)O)O.Cl","CZEOONMETLQXOK-AQCBZIOHSA-N","135534304",NA,"PDBC48602","72533","Present"
-"NSC725734","","","","","","","","","","","","","","","","","","","","NSC725734","","CN(C)C1=CC=C(C=C1)C=NN2C(=NNC2=S)CCCCC3=NNC(=S)N3N=CC4=CC=C(C=C4)N(C)C","AXKUKUQECKEOHZ-XUIWWLCJSA-N","10918644",NA,"PDBC48603","725734","Present"
-"NSC725739","","","","","","","","","","","","","","","","","","","","NSC725739","","CC1=C(C=CC(=C1)Cl)OCC2=NN3C(=NN=C3S2)CCCCC4=NN=C5N4N=C(S5)COC6=C(C=C(C=C6)Cl)C","YLKBJAKCBJONGJ-UHFFFAOYSA-N","11814135",NA,"PDBC48604","725739","Present"
-"NSC726240","","","","","","","","","","","","","","","","","","","","NSC726240","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86","NIJNWSBGPIBSBS-UHFFFAOYSA-N","11849560",NA,"PDBC48605","726240","Present"
-"NSC726241","","","","","","","","","","","","","","","","","","","","NSC726241","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86","HYDKSXWAAFBPJF-UHFFFAOYSA-N","11849558",NA,"PDBC48606","726241","Present"
-"NSC726425","","","","","","","","","","","","","","","","","","","","NSC726425","","C1CC2=C(C=C(C=C2)F)C3=C(C1)C(NC(=S)N3)C4=CC=C(C=C4)Cl","VLRPDIWHKDZFCC-UHFFFAOYSA-N","24202979",NA,"PDBC48607","726425","Present"
-"NSC726438","","","","","","","","","","","","","","","","","","","","NSC726438","","C1=CC=C2C(=C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CN4CCCNC(CO)(CO)CO)O","DSTGVKVZXJMTCW-UHFFFAOYSA-N","135585397",NA,"PDBC48608","726438","Present"
-"NSC726616","","","","","","","","","","","","","","","","","","","","NSC726616","","CN1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=C(C=C3Cl)Cl)F","AKPHPWMTQQJADP-UHFFFAOYSA-N","11383327",NA,"PDBC48609","726616","Present"
-"NSC726624","","","","","","","","","","","","","","","","","","","","NSC726624","","C1=CC(=C(C=C1C2=CC=C(O2)C3=NN=C(O3)C4=CC(=C(C=C4Cl)Cl)F)Cl)F","DSUDOJRBVCEKJV-UHFFFAOYSA-N","11154567",NA,"PDBC48610","726624","Present"
-"NSC726625","","","","","","","","","","","","","","","","","","","","NSC726625","","C1C(=NN2C(=NN=C2S1)C3=CC(=C(C=C3Cl)Cl)F)C4=CC(=C(C=C4Cl)Cl)F","DYGWFOIIUPEKNB-UHFFFAOYSA-N","24203066",NA,"PDBC48611","726625","Present"
-"NSC726627","","","","","","","","","","","","","","","","","","","","NSC726627","","C1C(=NN2C(=NN=C2S1)C3=CC(=C(C=C3Cl)Cl)F)C4=CC=C(C=C4)Cl","SWVUTDGNXSDLAF-UHFFFAOYSA-N","24203068",NA,"PDBC48612","726627","Present"
-"NSC726766","","","","","","","","","","","","","","","","","","","","NSC726766","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","XBECTQFCAPXDFU-UHFFFAOYSA-N","11849641",NA,"PDBC48613","726766","Present"
-"NSC726767","","","","","","","","","","","","","","","","","","","","NSC726767","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","QIECWIJZHJJQCZ-UHFFFAOYSA-N","45027830",NA,"PDBC48614","726767","Present"
-"NSC726771","","","","","","","","","","","","","","","","","","","","NSC726771","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.Cl","ZHAFWTGLWCXJCM-UHFFFAOYSA-N","11849642",NA,"PDBC48615","726771","Present"
-"NSC726973","","","","","","","","","","","","","","","","","","","","NSC726973","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","ICBNKOHIZTWJDK-UHFFFAOYSA-N","45027833",NA,"PDBC48616","726973","Present"
-"NSC727083","","","","","","","","","","","","","","","","","","","","NSC727083","","CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)O)OC","LSLVTFKEWKEZAB-PMGFJFFOSA-N","24203177",NA,"PDBC48617","727083","Present"
-"NSC727085","","","","","","","","","","","","","","","","","","","","NSC727085","","CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2O)C)C)N6CCCC6)OC","VRCMVTKKGHAOED-QHMFERCNSA-N","24203179",NA,"PDBC48618","727085","Present"
-"NSC727086","","","","","","","","","","","","","","","","","","","","NSC727086","","CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2OC(=O)C)C)C)N6CCCC6)OC","ICANLWFUVCJEEH-PRGHMZJASA-N","24203180",NA,"PDBC48619","727086","Present"
-"NSC727087","","","","","","","","","","","","","","","","","","","","NSC727087","","CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)OC(=O)C)OC","GNICQVHYZVEBMX-QOZOMQMKSA-N","24203181",NA,"PDBC48620","727087","Present"
-"NSC727357","","","","","","","","","","","","","","","","","","","","NSC727357","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","LFBROBFDCPLXOA-UHFFFAOYSA-N","11520587",NA,"PDBC48621","727357","Present"
-"NSC727958","","","","","","","","","","","","","","","","","","","","NSC727958","","COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","PMTJRWRVPUDTJC-UHFFFAOYSA-N","1194860",NA,"PDBC48622","727958","Present"
-"NSC727959","","","","","","","","","","","","","","","","","","","","NSC727959","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl","UOAUSALLDVLDEH-UHFFFAOYSA-N","1574650",NA,"PDBC48623","727959","Present"
-"NSC727962","","","","","","","","","","","","","","","","","","","","NSC727962","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4O","DQYZDGHFAMFPDU-UHFFFAOYSA-N","7897244",NA,"PDBC48624","727962","Present"
-"NSC728087","","","","","","","","","","","","","","","","","","","","NSC728087","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","OZZDFYZMWFYOEK-UHFFFAOYSA-N","45027847",NA,"PDBC48625","728087","Present"
-"NSC728088","","","","","","","","","","","","","","","","","","","","NSC728088","","CC(C)(C)OC(=O)N(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)CCN(CCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86)C(=O)OC(C)(C)C","JDGDNRKZDISVHG-UHFFFAOYSA-N","11849595",NA,"PDBC48626","728088","Present"
-"NSC728127","","","","","","","","","","","","","","","","","","","","NSC728127","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl","OTEVZOVWZMYMKY-UHFFFAOYSA-N","1574646",NA,"PDBC48627","728127","Present"
-"NSC728128","","","","","","","","","","","","","","","","","","","","NSC728128","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=C(C(=CC=C4)Cl)Cl","YXDDSPYNLNAMFK-UHFFFAOYSA-N","1574647",NA,"PDBC48628","728128","Present"
-"NSC728129","","","","","","","","","","","","","","","","","","","","NSC728129","","COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","HWHVJBQXKHQXPH-UHFFFAOYSA-N","1194948",NA,"PDBC48629","728129","Present"
-"NSC728130","","","","","","","","","","","","","","","","","","","","NSC728130","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl","YBYSBVXYNRCLBH-UHFFFAOYSA-N","1194953",NA,"PDBC48630","728130","Present"
-"NSC728131","","","","","","","","","","","","","","","","","","","","NSC728131","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl","XRDPTIIFLVZYGR-UHFFFAOYSA-N","1194954",NA,"PDBC48631","728131","Present"
-"NSC728132","","","","","","","","","","","","","","","","","","","","NSC728132","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl","XBZHFHVINBOCFQ-UHFFFAOYSA-N","1574702",NA,"PDBC48632","728132","Present"
-"NSC728133","","","","","","","","","","","","","","","","","","","","NSC728133","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl","SQSSBTOBLHLPPP-UHFFFAOYSA-N","1574706",NA,"PDBC48633","728133","Present"
-"NSC728134","","","","","","","","","","","","","","","","","","","","NSC728134","","COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","COSIOPKLYDGTAW-UHFFFAOYSA-N","1194969",NA,"PDBC48634","728134","Present"
-"NSC728135","","","","","","","","","","","","","","","","","","","","NSC728135","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N","CNHVPOYANZFEGM-UHFFFAOYSA-N","1194988",NA,"PDBC48635","728135","Present"
-"NSC728137","","","","","","","","","","","","","","","","","","","","NSC728137","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4C(F)(F)F","CMJKINVBKWCSHI-UHFFFAOYSA-N","1676286",NA,"PDBC48636","728137","Present"
-"NSC728143","","","","","","","","","","","","","","","","","","","","NSC728143","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)Cl)O","BVTOAIPSEFENDS-UHFFFAOYSA-N","1676297",NA,"PDBC48637","728143","Present"
-"NSC728317","","","","","","","","","","","","","","","","","","","","NSC728317","","C1=CC=C2C(=C1)C3C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","GPDKBMBXTHQEES-UHFFFAOYSA-N","45027853",NA,"PDBC48638","728317","Present"
-"NSC728320","","","","","","","","","","","","","","","","","","","","NSC728320","","CN(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)CCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86","MOVWBVLCQRSBCB-UHFFFAOYSA-N","11849561",NA,"PDBC48639","728320","Present"
-"NSC728321","","","","","","","","","","","","","","","","","","","","NSC728321","","CC(C)(C)OC(=O)N(CCCN(CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)C(=O)OC(C)(C)C)CCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86","CBGYYNGEVSSMKV-UHFFFAOYSA-N","11849594",NA,"PDBC48640","728321","Present"
-"NSC728322","","","","","","","","","","","","","","","","","","","","NSC728322","","CC(=O)OC1C(=CC2=CC(=C(C=C2)OCCN3CCCC3)OC)CC4C1(CCC5C4CC=C6C5(CCC(C6)N7CCCC7)C)C","SCIMMAWSTPIOIP-GYGLUOJWSA-N","24203498",NA,"PDBC48641","728322","Present"
-"NSC728323","","","","","","","","","","","","","","","","","","","","NSC728323","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCN6CCCC6)OC)C4=O)C)C","HNASGHCUVZFGAO-BJLNDYMUSA-N","24203499",NA,"PDBC48642","728323","Present"
-"NSC728325","","","","","","","","","","","","","","","","","","","","NSC728325","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4=O)C)O","URDRTXKGQFKHDU-CCZVNGOBSA-N","24203500",NA,"PDBC48643","728325","Present"
-"NSC728497","","","","","","","","","","","","","","","","","","","","NSC728497","","CC1=CC(=C(C=C1Cl)SC(=NNS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)N","GECOIZDPELGRQS-GFMRDNFCSA-N","23625288",NA,"PDBC48644","728497","Present"
-"NSC728855","","","","","","","","","","","","","","","","","","","","NSC728855","","C1CN(CCN1CCCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53)CCCN6C7=C(C8=CC=CC=C8C6=O)C(=O)C9=CC=CC=C97.C(=O)(C(F)(F)F)O","CZGURYVGBASXQS-UHFFFAOYSA-N","45027856",NA,"PDBC48645","728855","Present"
-"NSC729303","","","","","","","","","","","","","","","","","","","","NSC729303","","C1C2=C(C3=C(O1)C=CC(=C3)F)NC(=S)NC2C4=CC=C(C=C4)Cl","RHNVIDMQZBFFTN-UHFFFAOYSA-N","11674634",NA,"PDBC48646","729303","Present"
-"NSC729358","","","","","","","","","","","","","","","","","","","","NSC729358","","CC(C)(C)OC(=O)N(CCCCN(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)C(=O)OC(C)(C)C)CCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86","XPLNCSQFUSGJPJ-UHFFFAOYSA-N","11849640",NA,"PDBC48647","729358","Present"
-"NSC72938","","","","","","","","","","","","","","","","","","","","NSC72938","","CN1CCCC1C2=CN=CC=C2.C1=CC=C(C(=C1)C(=O)[O-])[OH2+].C1=CC=C(C(=C1)C(=O)[O-])[OH2+].C1=CC=C(C(=C1)C(=O)[O-])[OH2+].C1=CC=C(C(=C1)C(=O)O)O.[Cu+2]","YLBWSBIVKAPAHA-UHFFFAOYSA-N","54609758",NA,"PDBC48648","72938","Present"
-"NSC729496","","","","","","","","","","","","","","","","","","","","NSC729496","","C1=CC2=C(N3C4=CC(=C(C=C4N=NC3=C2C=C1)Cl)Cl)C#N","RCHWPSHKLRLRAC-UHFFFAOYSA-N","24203781",NA,"PDBC48649","729496","Present"
-"NSC729499","","","","","","","","","","","","","","","","","","","","NSC729499","","C1=CC2=C(N3C4=C(C=C(C=C4)C(F)(F)F)N=NC3=C2C=C1)C#N","XQFIEEGBOKVIMC-UHFFFAOYSA-N","24203784",NA,"PDBC48650","729499","Present"
-"NSC729500","","","","","","","","","","","","","","","","","","","","NSC729500","","C1=CC2=C(N3C4=C(C=CC(=C4)C(F)(F)F)N=NC3=C2C=C1)C#N","ONLXHUFVMVWKDS-UHFFFAOYSA-N","16066791",NA,"PDBC48651","729500","Present"
-"NSC729813","","","","","","","","","","","","","","","","","","","","NSC729813","","C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN.Cl","YZLFXFGDWULIAW-UHFFFAOYSA-N","44418792",NA,"PDBC48652","729813","Present"
-"NSC730183","","","","","","","","","","","","","","","","","","","","NSC730183","","CC(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)C3CC4C(C(C3C(=O)OC)(C(C(=C4C(=O)OC)O)C(=O)OC)O)C(=O)OC","YMCHQFFMKFMJDS-CPIWBUCJSA-N","54717812",NA,"PDBC48653","730183","Present"
-"NSC730461","","","","","","","","","","","","","","","","","","","","NSC730461","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4=O)C)C","KQUBHKVGWVYYJA-IPSKMFDYSA-N","24204020",NA,"PDBC48654","730461","Present"
-"NSC730472","","","","","","","","","","","","","","","","","","","","NSC730472","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCN6CCCCC6)OC)C4O)C)O","LCQFSDRFYJEBTB-GFNGPVSPSA-N","24204031",NA,"PDBC48655","730472","Present"
-"NSC730473","","","","","","","","","","","","","","","","","","","","NSC730473","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCN6CCCCC6)OC)C4OC(=O)C)C)C","HKRGOGAJVBWURS-YWVWQYHSSA-N","24204032",NA,"PDBC48656","730473","Present"
-"NSC730474","","","","","","","","","","","","","","","","","","","","NSC730474","","CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2O)C)C)O)OC","XZZYPRJIOYWVHG-HBGNFOAYSA-N","24204033",NA,"PDBC48657","730474","Present"
-"NSC730475","","","","","","","","","","","","","","","","","","","","NSC730475","","CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2OC(=O)C)C)C)OC(=O)C)OC","RWOVVSIYUZJNGX-QAUQPLIHSA-N","24204034",NA,"PDBC48658","730475","Present"
-"NSC730476","","","","","","","","","","","","","","","","","","","","NSC730476","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCN6CCCC6)OC)C4O)C)O","VCLDMHVVXPBUSD-JLTJRFMRSA-N","24204035",NA,"PDBC48659","730476","Present"
-"NSC730477","","","","","","","","","","","","","","","","","","","","NSC730477","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCN6CCCC6)OC)C4OC(=O)C)C)C","FBOZIATXMZJQOG-QAUQPLIHSA-N","24204036",NA,"PDBC48660","730477","Present"
-"NSC730478","","","","","","","","","","","","","","","","","","","","NSC730478","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4O)C)O","IFCWLEZORUYIOR-FURYIAKLSA-N","24204037",NA,"PDBC48661","730478","Present"
-"NSC730479","","","","","","","","","","","","","","","","","","","","NSC730479","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4OC(=O)C)C)C","MBGKEGQCXUEIST-ZNSNMJBFSA-N","24204038",NA,"PDBC48662","730479","Present"
-"NSC73048","","","","","","","","","","","","","","","","","","","","NSC73048","","C1C2=CC=CC=C2C3=CC=CC=C3C(C1=N)C#N","UGFOMFGCDBVENN-UHFFFAOYSA-N","251963",NA,"PDBC48663","73048","Present"
-"NSC730870","","","","","","","","","","","","","","","","","","","","NSC730870","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCNCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","SMDPKVRBWKREFD-UHFFFAOYSA-N","45027880",NA,"PDBC48664","730870","Present"
-"NSC73109","","","","","","","","","","","","","","","","","","","","NSC73109","","CC(CCC(=O)NN)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","BXSPCFWJSALCFW-HVATVPOCSA-N","252016",NA,"PDBC48665","73109","Present"
-"NSC731092","","","","","","","","","","","","","","","","","","","","NSC731092","","CC1CN(CCN1CN2C3=CC=CC=C3C(=O)C2=O)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F","DCNLPVGMLCWWAZ-UHFFFAOYSA-N","24204245",NA,"PDBC48666","731092","Present"
-"NSC731093","","","","","","","","","","","","","","","","","","","","NSC731093","","CC1CN(CCN1CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F","JSFSIFAKBYNKLA-UHFFFAOYSA-N","24204246",NA,"PDBC48667","731093","Present"
-"NSC731094","","","","","","","","","","","","","","","","","","","","NSC731094","","CC1CN(CCN1CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F","FIZGTEBBXYXZCS-UHFFFAOYSA-N","15954458",NA,"PDBC48668","731094","Present"
-"NSC731095","","","","","","","","","","","","","","","","","","","","NSC731095","","CC1CN(CCN1CN2C3=C(C=C(C=C3)Cl)C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F","UVGXUJBRINEWKU-UHFFFAOYSA-N","15954459",NA,"PDBC48669","731095","Present"
-"NSC731096","","","","","","","","","","","","","","","","","","","","NSC731096","","CC1CN(CCN1CN2C3=C(C=C(C=C3)Cl)C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=NC=N5)OC)OC)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F","FQRCDXIYEGOGSR-UHFFFAOYSA-N","24204247",NA,"PDBC48670","731096","Present"
-"NSC731098","","","","","","","","","","","","","","","","","","","","NSC731098","","CC1CN(CCN1CN2C3=C(C=C(C=C3)Br)C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=NC=N5)OC)OC)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F","VWSBGYNTZOPTSR-UHFFFAOYSA-N","11643654",NA,"PDBC48671","731098","Present"
-"NSC731099","","","","","","","","","","","","","","","","","","","","NSC731099","","CC1CN(CCN1CN2C3=C(C=C(C=C3)F)C(=C2O)N=NC(=O)C4=CC=NC=C4)C5=C(C=C6C(=C5OC)N(C=C(C6=O)C(=O)O)C7CC7)F","LTKAGECHZUFWJB-UHFFFAOYSA-N","135465400",NA,"PDBC48672","731099","Present"
-"NSC731162","","","","","","","","","","","","","","","","","","","","NSC731162","","CCOC1C(=CNC2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=C(O1)C=CC(=C3)C","HSMKUZHMLVJRRM-LFIBNONCSA-N","24204276",NA,"PDBC48673","731162","Present"
-"NSC731391","","","","","","","","","","","","","","","","","","","","NSC731391","","CC1=CC(=C(C=C1Cl)SC(=NNS(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)N","IFWOFOYDTMXATL-QQTULTPQSA-N","23625138",NA,"PDBC48674","731391","Present"
-"NSC731406","","","","","","","","","","","","","","","","","","","","NSC731406","","C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)N)C4=CC=C(C=C4)CCl","ALDGERMNKOCLST-UHFFFAOYSA-N","24204344",NA,"PDBC48675","731406","Present"
-"NSC731435","","","","","","","","","","","","","","","","","","","","NSC731435","","C1C2CN3CC(C2=CC(C1O)O)C4=CC5=C(C=C43)OCO5","JBWRMXUUXFXFTA-BLJJELEKSA-N","24204350",NA,"PDBC48676","731435","Present"
-"NSC731654","","","","","","","","","","","","","","","","","","","","NSC731654","","CC1CN(CCN1CN2C3=C(C=C(C=C3)F)C(=NC4=NC=C(C(=N4)N)CC5=CC(=C(C(=C5)OC)OC)OC)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F","VBDSJLHZQMUOLC-GYHSTGKTSA-N","9567684",NA,"PDBC48677","731654","Present"
-"NSC731863","","","","","","","","","","","","","","","","","","","","NSC731863","","CC(C)CC(C(=O)OC1=CC=C(C=C1)C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC)NC(=O)C","FVKGCKHOTSLFKY-UFMOUSPNSA-N","54717816",NA,"PDBC48678","731863","Present"
-"NSC731864","","","","","","","","","","","","","","","","","","","","NSC731864","","CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)C3CC4C(C(C3C(=O)OC)(C(C(=C4C(=O)OC)O)C(=O)OC)O)C(=O)OC","QXXGDSVCLNMPRK-RJBMIFHISA-N","54717817",NA,"PDBC48679","731864","Present"
-"NSC732252","","","","","","","","","","","","","","","","","","","","NSC732252","","CCOC1C(=CNC2=CC=C(C=C2)C(=O)N)C(=O)C3=C(O1)C=CC(=C3)C","GXIDETNWEHHODM-LFIBNONCSA-N","24204580",NA,"PDBC48680","732252","Present"
-"NSC732327","","","","","","","","","","","","","","","","","","","","NSC732327","","C1=CC=C(C=C1)C=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br","PEPHAWLOSMXGJT-SSDVNMTOSA-N","16126511",NA,"PDBC48681","732327","Present"
-"NSC732329","","","","","","","","","","","","","","","","","","","","NSC732329","","C1=CC(=CC=C1C=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br)O","NNOBEUCTYGOAMJ-LSHDLFTRSA-N","135540940",NA,"PDBC48682","732329","Present"
-"NSC732332","","","","","","","","","","","","","","","","","","","","NSC732332","","C1=CC(=CC=C1C2=CN3C(=CSC3=N2)CC(=O)NN=CC4=C(C=C(C=C4)Cl)Cl)Br","OZXYGHZNGFJKNT-PGGKNCGUSA-N","16126471",NA,"PDBC48683","732332","Present"
-"NSC732335","","","","","","","","","","","","","","","","","","","","NSC732335","","C1=CC=C(C(=C1)C=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br)O","PPYOMIZROUIMHR-LSHDLFTRSA-N","135540939",NA,"PDBC48684","732335","Present"
-"NSC732336","","","","","","","","","","","","","","","","","","","","NSC732336","","C1=CC(=CC=C1C2=CN3C(=CSC3=N2)CC(=O)NN=CC4=C(C=CC(=C4)Br)O)Br","QFQBZKJVOUGOLP-NUGSKGIGSA-N","135585540",NA,"PDBC48685","732336","Present"
-"NSC732698","","","","","","","","","","","","","","","","","","","","NSC732698","","C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)Cl)C(F)(F)F","IPSJKPRNFFLPLF-UHFFFAOYSA-N","1640172",NA,"PDBC48686","732698","Present"
-"NSC732699","","","","","","","","","","","","","","","","","","","","NSC732699","","C1=CC(=CC(=C1)O)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)Cl","HGIDHZWXTQTOFI-UHFFFAOYSA-N","1179913",NA,"PDBC48687","732699","Present"
-"NSC732821","","","","","","","","","","","","","","","","","","","","NSC732821","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4Cl","GFYALUMHDMBHSC-UHFFFAOYSA-N","1194862",NA,"PDBC48688","732821","Present"
-"NSC732826","","","","","","","","","","","","","","","","","","","","NSC732826","","COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","VFTPOBHHYQYYHZ-UHFFFAOYSA-N","1194947",NA,"PDBC48689","732826","Present"
-"NSC732827","","","","","","","","","","","","","","","","","","","","NSC732827","","COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl)OC","IQUFOLAVJGRBRF-UHFFFAOYSA-N","1194951",NA,"PDBC48690","732827","Present"
-"NSC732829","","","","","","","","","","","","","","","","","","","","NSC732829","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Cl)Cl","DMASKWVZMCHKTL-UHFFFAOYSA-N","1574705",NA,"PDBC48691","732829","Present"
-"NSC732833","","","","","","","","","","","","","","","","","","","","NSC732833","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl","UAMJMYGQNJFEGY-UHFFFAOYSA-N","1574715",NA,"PDBC48692","732833","Present"
-"NSC732836","","","","","","","","","","","","","","","","","","","","NSC732836","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(F)(F)F","HFSLEZKMBPGXCB-UHFFFAOYSA-N","1574727",NA,"PDBC48693","732836","Present"
-"NSC732837","","","","","","","","","","","","","","","","","","","","NSC732837","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","NMFCWXSFOXVZFK-UHFFFAOYSA-N","1574730",NA,"PDBC48694","732837","Present"
-"NSC732838","","","","","","","","","","","","","","","","","","","","NSC732838","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NCC4=C(C=C(C=C4)Cl)Cl","QDMFSRNQTUPLPD-UHFFFAOYSA-N","1574733",NA,"PDBC48695","732838","Present"
-"NSC732839","","","","","","","","","","","","","","","","","","","","NSC732839","","CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl)Cl","LXCPDUKVLSFTGI-UHFFFAOYSA-N","1194942",NA,"PDBC48696","732839","Present"
-"NSC732841","","","","","","","","","","","","","","","","","","","","NSC732841","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F","NBVPRZYAEFPQDZ-UHFFFAOYSA-N","1194958",NA,"PDBC48697","732841","Present"
-"NSC732844","","","","","","","","","","","","","","","","","","","","NSC732844","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4F","MFLOSFQZRUKIHP-UHFFFAOYSA-N","1194968",NA,"PDBC48698","732844","Present"
-"NSC732845","","","","","","","","","","","","","","","","","","","","NSC732845","","C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","GMMUNBOTDCYHHF-UHFFFAOYSA-N","3317510",NA,"PDBC48699","732845","Present"
-"NSC732850","","","","","","","","","","","","","","","","","","","","NSC732850","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)O","JDWCNIKACSXAOM-UHFFFAOYSA-N","1194899",NA,"PDBC48700","732850","Present"
-"NSC732851","","","","","","","","","","","","","","","","","","","","NSC732851","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl","UMRBOETVQYMYHN-UHFFFAOYSA-N","1574661",NA,"PDBC48701","732851","Present"
-"NSC732853","","","","","","","","","","","","","","","","","","","","NSC732853","","C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NCC4=CC=CO4","AYSUVZDADWJSIT-UHFFFAOYSA-N","7897249",NA,"PDBC48702","732853","Present"
-"NSC733396","","","","","","","","","","","","","","","","","","","","NSC733396","","CN1CCC2=C(C1C3C4=C(CO3)C(=C(C=C4)OC)OC)C(=C5C(=C2Br)OCO5)OC","VVSDXCUYQGHQTE-MJGOQNOKSA-N","10050740",NA,"PDBC48703","733396","Present"
-"NSC733401","","","","","","","","","","","","","","","","","","","","NSC733401","","CCOC(=O)CC1=CSC(=N1)NC2=NC(=C(S2)C3=C4C=CC=CC4=NC3=O)O","DDUQAFPVVCBLJI-UHFFFAOYSA-N","135489535",NA,"PDBC48704","733401","Present"
-"NSC733402","","","","","","","","","","","","","","","","","","","","NSC733402","","CCOC(=O)CC1=CSC(=N1)N=C2NC(=O)C(=C3C4=CC=CC=C4N(C3=O)C)S2","UCAAQKCBAHTBOW-CCEZHUSRSA-N","135491940",NA,"PDBC48705","733402","Present"
-"NSC733409","","","","","","","","","","","","","","","","","","","","NSC733409","","COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)Br)O","PZWWEOFYZQNYLT-UHFFFAOYSA-N","135438376",NA,"PDBC48706","733409","Present"
-"NSC733410","","","","","","","","","","","","","","","","","","","","NSC733410","","COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)F)O","NVTJAEHAVUBQQE-UHFFFAOYSA-N","135438537",NA,"PDBC48707","733410","Present"
-"NSC733411","","","","","","","","","","","","","","","","","","","","NSC733411","","COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)OC(F)(F)F)O","UHIKWLHXWZOLQE-UHFFFAOYSA-N","135414497",NA,"PDBC48708","733411","Present"
-"NSC733886","","","","","","","","","","","","","","","","","","","","NSC733886","","C1=CC(=CC(=C1)CCl)CN2C=NC3=C2C(=NC=N3)Cl","PNSXRFFIYAVJKO-UHFFFAOYSA-N","24204974",NA,"PDBC48709","733886","Present"
-"NSC733889","","","","","","","","","","","","","","","","","","","","NSC733889","","C1=CC=C(C(=C1)CN2C=NC3=C2C(=NC=N3)Cl)CCl","PSRRAHZAHLKVIF-UHFFFAOYSA-N","24204976",NA,"PDBC48710","733889","Present"
-"NSC733892","","","","","","","","","","","","","","","","","","","","NSC733892","","C1=CC=C(C(=C1)CN2C=NC3=C2C(=NC(=N3)Cl)Cl)CCl","SDFSFCHSLBWZKS-UHFFFAOYSA-N","24204977",NA,"PDBC48711","733892","Present"
-"NSC733894","","","","","","","","","","","","","","","","","","","","NSC733894","","C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)Cl)CCl","USHSCIQUGJAAGH-UHFFFAOYSA-N","24204978",NA,"PDBC48712","733894","Present"
-"NSC733895","","","","","","","","","","","","","","","","","","","","NSC733895","","C1=CC(=CC=C1CN2C=NC3=C2C(=NC(=N3)Cl)Cl)CCl","BSKYPUUFGNPHLM-UHFFFAOYSA-N","24204979",NA,"PDBC48713","733895","Present"
-"NSC734078","","","","","","","","","","","","","","","","","","","","NSC734078","","C1=CC(=CC(=C1)CN2C=NC3=C2N=C(N=C3Cl)Cl)CN4C=NC5=C4N=C(N=C5Cl)Cl","FLOGFSCNYWSXQZ-UHFFFAOYSA-N","16126566",NA,"PDBC48714","734078","Present"
-"NSC734079","","","","","","","","","","","","","","","","","","","","NSC734079","","C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)Cl)CN4C=NC5=C4N=C(N=C5Cl)Cl","SQPVTVWGWVWPCK-UHFFFAOYSA-N","16126563",NA,"PDBC48715","734079","Present"
-"NSC734083","","","","","","","","","","","","","","","","","","","","NSC734083","","C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3N(CCO)CCO)CCl","FLUAZYKJNKTLQQ-UHFFFAOYSA-N","24205048",NA,"PDBC48716","734083","Present"
-"NSC734294","","","","","","","","","","","","","","","","","","","","NSC734294","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Br)CCCCl","IPMGWDXKIJNYRU-UHFFFAOYSA-N","17756600",NA,"PDBC48717","734294","Present"
-"NSC734796","","","","","","","","","","","","","","","","","","","","NSC734796","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C#N)N(C2=O)CCCN)OC.Cl","XGCVXWLVDCSARU-UHFFFAOYSA-N","17755628",NA,"PDBC48718","734796","Present"
-"NSC734798","","","","","","","","","","","","","","","","","","","","NSC734798","","C1=CC=C2C(=C1)C3=C(C4=C(C3=O)C=CC(=C4)[N+](=O)[O-])N(C2=O)CCCNCCCNCCCN5C6=C(C7=C(C5=O)C=C(C=C7)[N+](=O)[O-])C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","NIHQDICMLRQAKN-UHFFFAOYSA-N","45027890",NA,"PDBC48719","734798","Present"
-"NSC735010","","","","","","","","","","","","","","","","","","","","NSC735010","","COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C(=O)OC)N(C2=O)CCCN)OC.Cl","XTXIDQVCPFCENN-UHFFFAOYSA-N","17755626",NA,"PDBC48720","735010","Present"
-"NSC735012","","","","","","","","","","","","","","","","","","","","NSC735012","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCNCCCNCCN5C6=C(C7=C(C5=O)C=C(C=C7)[N+](=O)[O-])C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","YQMUESYYLSUQBK-UHFFFAOYSA-N","45027892",NA,"PDBC48721","735012","Present"
-"NSC735037","","","","","","","","","","","","","","","","","","","","NSC735037","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=CC=N6)OC","DMPDXMNLPKWCHZ-UHFFFAOYSA-N","16090528",NA,"PDBC48722","735037","Present"
-"NSC735372","","","","","","","","","","","","","","","","","","","","NSC735372","","COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCCNCCN5C6=C(C7=CC(=C(C=C7C5=O)OC)OC)C(=O)C8=CC=CC=C86)OC.C(=O)(C(F)(F)F)O","WUPOZEJYQITXRK-UHFFFAOYSA-N","45027895",NA,"PDBC48723","735372","Present"
-"NSC735373","","","","","","","","","","","","","","","","","","","","NSC735373","","COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCNCCCN5C6=C(C7=CC(=C(C=C7C5=O)OC)OC)C(=O)C8=CC=CC=C86)OC.C(=O)(C(F)(F)F)O","ZWIRHUWDWAKRHU-UHFFFAOYSA-N","45027896",NA,"PDBC48724","735373","Present"
-"NSC736139","","","","","","","","","","","","","","","","","","","","NSC736139","","C1=CC(=CC=C1C=NN2C(=NNC2=S)C3=CC(=C(C=C3)F)Cl)F","YJJLTLUDMWYURH-UFWORHAWSA-N","24205540",NA,"PDBC48725","736139","Present"
-"NSC736140","","","","","","","","","","","","","","","","","","","","NSC736140","","CC1=C(C=CC(=C1)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)F)Cl","VYYLTVSDUOHXDY-AWQFTUOYSA-N","24205541",NA,"PDBC48726","736140","Present"
-"NSC736145","","","","","","","","","","","","","","","","","","","","NSC736145","","CC1=C(C=CC(=C1)OCC2=NN(C(=S)N2N=CC3=CC=C(C=C3)F)CN4CCN(CC4)C)Cl","GAFVGCAXWHCGLK-VULFUBBASA-N","24205546",NA,"PDBC48727","736145","Present"
-"NSC736146","","","","","","","","","","","","","","","","","","","","NSC736146","","CC1=NN(C(=S)N1N=CC2=CC=CC3=C2N=CC=C3)CNC4=CC=CC=C4C(F)(F)F","UGUYUYYJCPVPAP-KKMKTNMSSA-N","24205547",NA,"PDBC48728","736146","Present"
-"NSC736163","","","","","","","","","","","","","","","","","","","","NSC736163","","CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F","DSZLMLJWMRYRJX-UHFFFAOYSA-N","24205561",NA,"PDBC48729","736163","Present"
-"NSC736164","","","","","","","","","","","","","","","","","","","","NSC736164","","CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)N","JCXOZSOZLXGMAB-UHFFFAOYSA-N","24205562",NA,"PDBC48730","736164","Present"
-"NSC736165","","","","","","","","","","","","","","","","","","","","NSC736165","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(O3)C4=CC=C(C=C4)Cl","HKJLXVRERVMXLF-UHFFFAOYSA-N","11690083",NA,"PDBC48731","736165","Present"
-"NSC736198","","","","","","","","","","","","","","","","","","","","NSC736198","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Cl)CCCBr","SBUGLDCVZLGRMA-UHFFFAOYSA-N","17755849",NA,"PDBC48732","736198","Present"
-"NSC736201","","","","","","","","","","","","","","","","","","","","NSC736201","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)F)CCCN=[N+]=[N-]","LQGLOUDGFFIQNH-UHFFFAOYSA-N","17755972",NA,"PDBC48733","736201","Present"
-"NSC736202","","","","","","","","","","","","","","","","","","","","NSC736202","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)I)CCCN=[N+]=[N-]","IFQGELMUHIDTGV-UHFFFAOYSA-N","17755023",NA,"PDBC48734","736202","Present"
-"NSC736493","","","","","","","","","","","","","","","","","","","","NSC736493","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)I)CCCN.Cl","SWGXNDOHGNTPPR-UHFFFAOYSA-N","17755126",NA,"PDBC48735","736493","Present"
-"NSC736624","","","","","","","","","","","","","","","","","","","","NSC736624","","CSC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","AMTSSVBONDVENH-UHFFFAOYSA-N","17755020",NA,"PDBC48736","736624","Present"
-"NSC736756","","","","","","","","","","","","","","","","","","","","NSC736756","","CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=CC=C5)OCCN6CCOCC6)C4O)C)O","DEHJSBCAOOHJDC-MELWFMDBSA-N","24205796",NA,"PDBC48737","736756","Present"
-"NSC736761","","","","","","","","","","","","","","","","","","","","NSC736761","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=CC=C5)OCCN6CCOCC6)C4OC(=O)C)C)C","JJZLEINGFDTWEF-DCUZUEFZSA-N","24205801",NA,"PDBC48738","736761","Present"
-"NSC737427","","","","","","","","","","","","","","","","","","","","NSC737427","","C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C(N=CN=C65)N)O","BELHNPQWAVSJSM-UHFFFAOYSA-N","24205952",NA,"PDBC48739","737427","Present"
-"NSC737428","","","","","","","","","","","","","","","","","","","","NSC737428","","C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)Cl)O","FNEOPRKANJXZTD-UHFFFAOYSA-N","24205953",NA,"PDBC48740","737428","Present"
-"NSC737429","","","","","","","","","","","","","","","","","","","","NSC737429","","C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)N)O","AQEZBOZQPHPBCY-UHFFFAOYSA-N","24205954",NA,"PDBC48741","737429","Present"
-"NSC737430","","","","","","","","","","","","","","","","","","","","NSC737430","","C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C(N=CN=C65)N)OCC7=CC(=C(C=C7F)F)F","CBUZKZFTQWSBHQ-UHFFFAOYSA-N","24205955",NA,"PDBC48742","737430","Present"
-"NSC737431","","","","","","","","","","","","","","","","","","","","NSC737431","","C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)Cl)OCC7=CC(=C(C=C7F)F)F","KBZYXJUOZPHNEG-UHFFFAOYSA-N","24205956",NA,"PDBC48743","737431","Present"
-"NSC737432","","","","","","","","","","","","","","","","","","","","NSC737432","","C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)N)OCC7=CC(=C(C=C7F)F)F","YBUGYCGOPKMAQS-UHFFFAOYSA-N","24205957",NA,"PDBC48744","737432","Present"
-"NSC737433","","","","","","","","","","","","","","","","","","","","NSC737433","","C1=CC(=CC=C1OCC(CN2C=NC3=C2N=CN=C3Cl)O)F","XWPNZGVQYWHNRU-UHFFFAOYSA-N","24205958",NA,"PDBC48745","737433","Present"
-"NSC737518","","","","","","","","","","","","","","","","","","","","NSC737518","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=NC=N6)OC.Cl","PSSHRQLUYSNEPT-UHFFFAOYSA-N","16090529",NA,"PDBC48746","737518","Present"
-"NSC740268","","","","","","","","","","","","","","","","","","","","NSC740268","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCI","UUJPBZJHYIEZMS-UHFFFAOYSA-N","17755638",NA,"PDBC48747","740268","Present"
-"NSC740277","","","","","","","","","","","","","","","","","","","","NSC740277","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCNCCO.Cl","HTVOCSHHHZRNSZ-UHFFFAOYSA-N","17755974",NA,"PDBC48748","740277","Present"
-"NSC740488","","","","","","","","","","","","","","","","","","","","NSC740488","","CC1=CN2CC3=CC=CC=C3CN(C1=O)C2=O","SABDGXJFORMDKR-UHFFFAOYSA-N","45027984",NA,"PDBC48749","740488","Present"
-"NSC740490","","","","","","","","","","","","","","","","","","","","NSC740490","","CC1=CN=C2N(C1=O)CC3=CC=CC=C3CO2","VXINSLIREPOEJY-UHFFFAOYSA-N","45027986",NA,"PDBC48750","740490","Present"
-"NSC740521","","","","","","","","","","","","","","","","","","","","NSC740521","","CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C2C=CC(=C4)OC.Cl","CRAFOOBIZFOZPT-UHFFFAOYSA-N","17755743",NA,"PDBC48751","740521","Present"
-"NSC740614","","","","","","","","","","","","","","","","","","","","NSC740614","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=CC=C4OCC(=O)OC)C3=O)C5=CC=CC=C5","PANOYLIHNGVBNI-HKOYGPOVSA-N","45028015",NA,"PDBC48752","740614","Present"
-"NSC740615","","","","","","","","","","","","","","","","","","","","NSC740615","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=C(C=C4)OCC(=O)OC)C3=O)C5=CC=CC=C5","RLCWZHFKYCLYME-XIEYBQDHSA-N","45028016",NA,"PDBC48753","740615","Present"
-"NSC740617","","","","","","","","","","","","","","","","","","","","NSC740617","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=C(C=C4)N(C)C)C3=O)C5=CC=CC=C5","IDCQCSGMPQOWSQ-NCELDCMTSA-N","26476961",NA,"PDBC48754","740617","Present"
-"NSC740645","","","","","","","","","","","","","","","","","","","","NSC740645","","CCOC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","NAZXLFMWXGIWEZ-UHFFFAOYSA-N","17755025",NA,"PDBC48755","740645","Present"
-"NSC740650","","","","","","","","","","","","","","","","","","","","NSC740650","","COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCNCCO.Cl","KCBBYYCZXUKTBM-UHFFFAOYSA-N","17755741",NA,"PDBC48756","740650","Present"
-"NSC741402","","","","","","","","","","","","","","","","","","","","NSC741402","","CCCCCCCCC(=CC1=C(C(=O)C(=C(C1=O)OC)OC)C)C(=O)O","PHYCYYJXLLWDLJ-WYMLVPIESA-N","45028184",NA,"PDBC48757","741402","Present"
-"NSC741403","","","","","","","","","","","","","","","","","","","","NSC741403","","CCCCC(=CC1=C(C(=O)C(=C(C1=O)OC)OC)C)C(=O)O","GBNXKHQESXVNDQ-CSKARUKUSA-N","25235421",NA,"PDBC48758","741403","Present"
-"NSC741604","","","","","","","","","","","","","","","","","","","","NSC741604","","C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)Cl)C4=CC=C(C=C4)CCl","LEZQXBODLBMOIT-UHFFFAOYSA-N","45028198",NA,"PDBC48759","741604","Present"
-"NSC741605","","","","","","","","","","","","","","","","","","","","NSC741605","","C1=CC(=CC=C1CN2C=NC3=C2C(=NC(=N3)Cl)Cl)C4=CC=C(C=C4)CCl","NNIAKSOEGBBXLS-UHFFFAOYSA-N","45028199",NA,"PDBC48760","741605","Present"
-"NSC741852","","","","","","","","","","","","","","","","","","","","NSC741852","","C1=NC2=C(N1CC=CCN3C=NC4=C3C(=NC(=N4)Cl)Cl)N=C(N=C2Cl)Cl","INKZPEHGVFMESZ-UPHRSURJSA-N","45028239",NA,"PDBC48761","741852","Present"
-"NSC741913","","","","","","","","","","","","","","","","","","","","NSC741913","","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)O)OCCCCCOC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)O","JGXCJNXVYFVPMR-UHFFFAOYSA-N","25255580",NA,"PDBC48762","741913","Present"
-"NSC742146","","","","","","","","","","","","","","","","","","","","NSC742146","","C1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3C=NC4=C3N=C(N=C4Cl)Cl)OCC5=CC=C(C=C5)CN6C=NC7=C6N=C(N=C7Cl)Cl","CPORTUUHLXZVRG-UHFFFAOYSA-N","45028308",NA,"PDBC48763","742146","Present"
-"NSC742147","","","","","","","","","","","","","","","","","","","","NSC742147","","C1=CC(=CC(=C1)OCC=CCN2C=NC3=C2N=C(N=C3Cl)Cl)OCC=CCN4C=NC5=C4N=C(N=C5Cl)Cl","PSXNZCJQHIXSGA-CCAGOZQPSA-N","45028309",NA,"PDBC48764","742147","Present"
-"NSC742148","","","","","","","","","","","","","","","","","","","","NSC742148","","C1=CC(=CC(=C1)OCC=CCN2C=NC3=C2N=C(N=C3Cl)Cl)OCC=CCN4C=NC5=C4N=C(N=C5Cl)Cl","PSXNZCJQHIXSGA-ZPUQHVIOSA-N","45028310",NA,"PDBC48765","742148","Present"
-"NSC742149","","","","","","","","","","","","","","","","","","","","NSC742149","","C1=CC(=CC(=C1)COC2=CC(=CC=C2)OCC3=CC=CC(=C3)CN4C=NC5=C4N=C(N=C5Cl)Cl)CN6C=NC7=C6N=C(N=C7Cl)Cl","BHLVVFVPOJWVFJ-UHFFFAOYSA-N","45028311",NA,"PDBC48766","742149","Present"
-"NSC743434","","","","","","","","","","","","","","","","","","","","NSC743434","","COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)F)OCCCCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC","ARZGLWFRVNUVDX-RIYZIHGNSA-N","45028590",NA,"PDBC48767","743434","Present"
-"NSC743438","","","","","","","","","","","","","","","","","","","","NSC743438","","COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)F)OCCCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC","GKOFYRHRQUAZQM-NTUHNPAUSA-N","45028591",NA,"PDBC48768","743438","Present"
-"NSC74420","","","","","","","","","","","","","","","","","","","","NSC74420","","C1CC1C(=NN=C(N)N)C2=CC=C(C=C2)Cl.Cl","OIIDIBKXLALRIC-AZJSCORLSA-N","54609828",NA,"PDBC48769","74420","Present"
-"NSC744327","","","","","","","","","","","","","","","","","","","","NSC744327","","CC1=C(C(=NC2=CC=CC=C12)C)C(=O)C=CC3=CC(=C(C=C3)OCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","VRFNOEICKIYEAD-FIUWIIBXSA-N","44227294",NA,"PDBC48770","744327","Present"
-"NSC744989","","","","","","","","","","","","","","","","","","","","NSC744989","","CC1=C(C(=NC2=CC=CC=C12)C)C(=O)C=CC3=CC(=C(C=C3)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","VXLMCALNWIFZOP-RFYAYMHSSA-N","44227495",NA,"PDBC48771","744989","Present"
-"NSC745357","","","","","","","","","","","","","","","","","","","","NSC745357","","C1=NC2=C(N1CCOCCN3C=NC4=C3N=C(N=C4Cl)Cl)N=C(N=C2Cl)Cl","LYZSZSXPVJPCGO-UHFFFAOYSA-N","45029074",NA,"PDBC48772","745357","Present"
-"NSC745358","","","","","","","","","","","","","","","","","","","","NSC745358","","C1C(CO1)(CN2C=NC3=C2N=C(N=C3Cl)Cl)CN4C=NC5=C4N=C(N=C5Cl)Cl","MZTJKJHTFMPWQX-UHFFFAOYSA-N","45029075",NA,"PDBC48773","745358","Present"
-"NSC745632","","","","","","","","","","","","","","","","","","","","NSC745632","","C1=CC(=CC=C1C(=O)COC(=O)C(C[Se][Se]CC(C(=O)OCC(=O)C2=CC=C(C=C2)F)NC(=O)C3=C(C=C(C=C3)Br)F)NC(=O)C4=C(C=C(C=C4)Br)F)F","VOICQWAETDJKNM-KYJUHHDHSA-N","45029228",NA,"PDBC48774","745632","Present"
-"NSC746149","","","","","","","","","","","","","","","","","","","","NSC746149","","COC1=CC=C(C=C1)C(=O)COC(=O)C(C[Se][Se]CC(C(=O)OCC(=O)C2=CC=C(C=C2)OC)NC(=O)C3=C(C=C(C=C3)Br)F)NC(=O)C4=C(C=C(C=C4)Br)F","XMWMSWMZCQBTET-ACHIHNKUSA-N","45029327",NA,"PDBC48775","746149","Present"
-"NSC748560","","","","","","","","","","","","","","","","","","","","NSC748560","","COC1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC=CC(=C3)C(=O)C=CC4=CC(=C(C=C4)O)OC","XDUAIQUMHPFQPB-WUXMJOGZSA-N","46919706",NA,"PDBC48776","748560","Present"
-"NSC748561","","","","","","","","","","","","","","","","","","","","NSC748561","","COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=CC=C4)O","UPEXFYNBXNPNLB-ZRDIBKRKSA-N","46919705",NA,"PDBC48777","748561","Present"
-"NSC748902","","","","","","","","","","","","","","","","","","","","NSC748902","","CC(C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)NC(=O)C=C(C)C)O)C)C)N(C)C","NNCXWVUZKIDBPI-BGNYLADVSA-N","54612850",NA,"PDBC48778","748902","Present"
-"NSC753181","","","","","","","","","","","","","","","","","","","","NSC753181","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","AANYQULBAIMKHZ-UHFFFAOYSA-N","56935208",NA,"PDBC48779","753181","Present"
-"NSC753182","","","","","","","","","","","","","","","","","","","","NSC753182","","C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","LYBMXFWAIVMRTJ-UHFFFAOYSA-N","56935329",NA,"PDBC48780","753182","Present"
-"NSC753201","","","","","","","","","","","","","","","","","","","","NSC753201","","C1=CC=C(C=C1)C(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F","GCHUTMNGRCAEMY-UHFFFAOYSA-N","60147934",NA,"PDBC48781","753201","Present"
-"NSC753203","","","","","","","","","","","","","","","","","","","","NSC753203","","COC1=CC=C(C=C1)C(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F","QQOKKUKRNXQMQG-UHFFFAOYSA-N","60147936",NA,"PDBC48782","753203","Present"
-"NSC753378","","","","","","","","","","","","","","","","","","","","NSC753378","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=CC=CC=C54","ZQQZYLUGLLIIFA-UHFFFAOYSA-N","136040144",NA,"PDBC48783","753378","Present"
-"NSC753385","","","","","","","","","","","","","","","","","","","","NSC753385","","C1=CC2=C(NC=C2C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br)N=C1","LRHLCYQDYOMJAN-UHFFFAOYSA-N","136040145",NA,"PDBC48784","753385","Present"
-"NSC753391","","","","","","","","","","","","","","","","","","","","NSC753391","","C1=CC2=C(NC=C2C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)F)N=C1","GRVSHKKIMSLTGS-UHFFFAOYSA-N","136040149",NA,"PDBC48785","753391","Present"
-"NSC753392","","","","","","","","","","","","","","","","","","","","NSC753392","","CN1C=C(C2=C1C=CC(=C2)F)C3=NC(=CS3)C4=CNC5=C4C=CC=N5","WUJJTRQJWCRHDQ-UHFFFAOYSA-N","60147995",NA,"PDBC48786","753392","Present"
-"NSC753393","","","","","","","","","","","","","","","","","","","","NSC753393","","CN1C=C(C2=C1C=CC(=C2)F)C3=NC(=CS3)C4=CN(C5=C4C=CC=N5)C","RVXMCEYDYNUQQE-UHFFFAOYSA-N","60147996",NA,"PDBC48787","753393","Present"
-"NSC753394","","","","","","","","","","","","","","","","","","","","NSC753394","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)F","XNWCQOHZTRFUBF-UHFFFAOYSA-N","136040150",NA,"PDBC48788","753394","Present"
-"NSC753581","","","","","","","","","","","","","","","","","","","","NSC753581","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F","JLFIHODMVRGFQI-WAYWQWQTSA-N","60148074",NA,"PDBC48789","753581","Present"
-"NSC753582","","","","","","","","","","","","","","","","","","","","NSC753582","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F","CLUYVDQHCBMSAW-WEVVVXLNSA-N","60148075",NA,"PDBC48790","753582","Present"
-"NSC753584","","","","","","","","","","","","","","","","","","","","NSC753584","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)C(F)(F)F","CTFGBEMLJGKAGX-WAYWQWQTSA-N","60148077",NA,"PDBC48791","753584","Present"
-"NSC753585","","","","","","","","","","","","","","","","","","","","NSC753585","","COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)C(F)(F)F","IUCFDVWQWRXEJN-WEVVVXLNSA-N","60148078",NA,"PDBC48792","753585","Present"
-"NSC754241","","","","","","","","","","","","","","","","","","","","NSC754241","","CN(C)CCOC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC","LPBYYUACWRTBHO-UHFFFAOYSA-N","54672976",NA,"PDBC48793","754241","Present"
-"NSC754242","","","","","","","","","","","","","","","","","","","","NSC754242","","CCN(CC)CCOC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC","PPTOYZALYRLDKS-UHFFFAOYSA-N","54672977",NA,"PDBC48794","754242","Present"
-"NSC754318","","","","","","","","","","","","","","","","","","","","NSC754318","","C1=CC(=CC=C1C#N)NC(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F","QKZGSNHKPVNABF-UHFFFAOYSA-N","76326074",NA,"PDBC48795","754318","Present"
-"NSC754328","","","","","","","","","","","","","","","","","","","","NSC754328","","CCN(CCCNC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)N(C)C)CCNC3=C4C=CC(=CC4=NC=C3)Cl","XPAXPAKCTSQAGH-UHFFFAOYSA-N","49856402",NA,"PDBC48796","754328","Present"
-"NSC754329","","","","","","","","","","","","","","","","","","","","NSC754329","","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)NCCNC(=O)CC5=CC(=O)OC6=C5C=CC(=C6)N(C)C)C","ZIMVSMLQZHXRHU-WLNIMOHXSA-N","155812944",NA,"PDBC48797","754329","Present"
-"NSC754483","","","","","","","","","","","","","","","","","","","","NSC754483","","CC1=C(SC2=C1C(=O)N(C3=NN=C(N23)C4=CC=C(C=C4)Br)CC5=CC=CC=C5)C(=O)N","AOVFJWNZTYQDTL-UHFFFAOYSA-N","70682374",NA,"PDBC48798","754483","Present"
-"NSC754490","","","","","","","","","","","","","","","","","","","","NSC754490","","CC1=C(SC2=C1C(=O)N(C3=NN=C(CN23)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5)C(=O)N","PCMMOFLSELELJC-UHFFFAOYSA-N","70688710",NA,"PDBC48799","754490","Present"
-"NSC754516","","","","","","","","","","","","","","","","","","","","NSC754516","","CC1=CC(=CC=C1)CN2C=C(C3=C2C=CN=C3)CO","JEWNOSMAPHOMLG-UHFFFAOYSA-N","155808124",NA,"PDBC48800","754516","Present"
-"NSC754735","","","","","","","","","","","","","","","","","","","","NSC754735","","C1=CC=C(C(=C1)C2C3=C(NN=C3NC(=N2)N)N)Cl","CFNQWGYSWAVPHU-UHFFFAOYSA-N","155808146",NA,"PDBC48801","754735","Present"
-"NSC754778","","","","","","","","","","","","","","","","","","","","NSC754778","","C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C3=C(SC=C3)NC4=CC(=NC=C4)C(F)(F)F)O","VXLATMLPGWXXDO-UHFFFAOYSA-N","155812994",NA,"PDBC48802","754778","Present"
-"NSC754779","","","","","","","","","","","","","","","","","","","","NSC754779","","C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C3=C(C=CS3)NC4=CC(=NC=C4)C(F)(F)F)O","BVUUJGAATXKFOK-UHFFFAOYSA-N","155812990",NA,"PDBC48803","754779","Present"
-"NSC755118","","","","","","","","","","","","","","","","","","","","NSC755118","","CC1=C(C(=NC1=CC2=C(C=C(N2)C3=CC=CN3)OC)C)C(=O)NC(C)C","VWLDVSVHEAGNIF-DHDCSXOGSA-N","155813059",NA,"PDBC48804","755118","Present"
-"NSC755119","","","","","","","","","","","","","","","","","","","","NSC755119","","CC1=C(C(=NC1=CC2=C(C=C(N2)C3=CC=CN3)OC)C)CCC(=O)OC","LBZZOJVHNBSLES-YBEGLDIGSA-N","155811421",NA,"PDBC48805","755119","Present"
-"NSC755120","","","","","","","","","","","","","","","","","","","","NSC755120","","CC1=C(C(=NC1=CC2=C(C=C(N2)C3=CC=CN3)OC)C)CC(=O)OC","FVZUAZCRTDVOQP-DHDCSXOGSA-N","155810001",NA,"PDBC48806","755120","Present"
-"NSC755121","","","","","","","","","","","","","","","","","","","","NSC755121","","CC1=C(C(=CC2=C(C=C(N2)C3=CC=CN3)OC)N=C1C)CCC(=O)OC","BEEXRPZVQLKSMN-YBEGLDIGSA-N","155808252",NA,"PDBC48807","755121","Present"
-"NSC755122","","","","","","","","","","","","","","","","","","","","NSC755122","","CC1=NC(=CC2=C(C=C(N2)C3=CC=CN3)OC)C(=C1CC(=O)OC)CCC(=O)OC","JOUDOQVKCBOSLW-BOPFTXTBSA-N","155810000",NA,"PDBC48808","755122","Present"
-"NSC75513","","","","","","","","","","","","","","","","","","","","NSC75513","","CC1=CC(=C(C=C1)C)C(=NN=C(N)N)C2CC2.Cl","MDURGFUJSYJFSD-PXJKFVASSA-N","54605796",NA,"PDBC48809","75513","Present"
-"NSC755264","","","","","","","","","","","","","","","","","","","","NSC755264","","C1=CC=C(C=C1)CN2C(=C(C3=C2N=CN(C3=N)CCCO)C4=CC=CC=C4)C5=CC=CC=C5","FTONQWOSFUNKSC-UHFFFAOYSA-N","5152963",NA,"PDBC48810","755264","Present"
-"NSC755265","","","","","","","","","","","","","","","","","","","","NSC755265","","CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC","BEOZAXAVDAIVNH-UHFFFAOYSA-N","1222720",NA,"PDBC48811","755265","Present"
-"NSC755266","","","","","","","","","","","","","","","","","","","","NSC755266","","CC1(C2=CC=CC=C2N(C13CC(=NO3)C4=CC(=C(C=C4)Cl)S(=O)(=O)N5CCCC5)C)C","YNSOGEPOLZAJPY-UHFFFAOYSA-N","3575040",NA,"PDBC48812","755266","Present"
-"NSC755267","","","","","","","","","","","","","","","","","","","","NSC755267","","CCOC(=O)CN1C2=CC=CC=C2N=C1C3=NON=C3NC(=O)C4=CC=CC=C4F","IEPWZZCIRVBASB-UHFFFAOYSA-N","1043575",NA,"PDBC48813","755267","Present"
-"NSC755288","","","","","","","","","","","","","","","","","","","","NSC755288","","COC1=CC(=CC(=C1OC)OC)C2=CC(=NC3=CC(=NN23)C4=CC=CC=C4)C(=O)N5CCN(CC5)C(=O)C6=CC=CC=C6NCC7=CC=CS7","KFUIJMKWWLYYFD-UHFFFAOYSA-N","71466690",NA,"PDBC48814","755288","Present"
-"NSC755290","","","","","","","","","","","","","","","","","","","","NSC755290","","COC1=CC(=CC(=C1OC)OC)CNC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)C4=NC5=CC(=NN5C(=C4)C6=CC(=C(C(=C6)OC)OC)OC)C7=CC=CC=C7","OUHCGIVODQEAOU-UHFFFAOYSA-N","71466691",NA,"PDBC48815","755290","Present"
-"NSC755406","","","","","","","","","","","","","","","","","","","","NSC755406","","C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","IQHFHUFGXYEEPK-UHFFFAOYSA-N","72947247",NA,"PDBC48816","755406","Present"
-"NSC755407","","","","","","","","","","","","","","","","","","","","NSC755407","","C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","VUVJELCNUGCDDR-UHFFFAOYSA-N","45483732",NA,"PDBC48817","755407","Present"
-"NSC755408","","","","","","","","","","","","","","","","","","","","NSC755408","","C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=C(C=C4)NC(=O)NC5=C(C(=CC=C5)Cl)Cl","TYVQEWUSZNRCMS-UHFFFAOYSA-N","45483711",NA,"PDBC48818","755408","Present"
-"NSC755412","","","","","","","","","","","","","","","","","","","","NSC755412","","C1COCCN1C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6","NOHJUDQLISYZGE-UHFFFAOYSA-N","70686146",NA,"PDBC48819","755412","Present"
-"NSC755413","","","","","","","","","","","","","","","","","","","","NSC755413","","C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F","KZWRWHZUHNDVDQ-UHFFFAOYSA-N","53377313",NA,"PDBC48820","755413","Present"
-"NSC755415","","","","","","","","","","","","","","","","","","","","NSC755415","","C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","CIQDEZLBJXRMBA-UHFFFAOYSA-N","70688287",NA,"PDBC48821","755415","Present"
-"NSC755417","","","","","","","","","","","","","","","","","","","","NSC755417","","C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F","BTXTXXHRBDBSMD-UHFFFAOYSA-N","45483705",NA,"PDBC48822","755417","Present"
-"NSC755419","","","","","","","","","","","","","","","","","","","","NSC755419","","C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl","RNYVJNGBZMPIAT-UHFFFAOYSA-N","45483714",NA,"PDBC48823","755419","Present"
-"NSC755420","","","","","","","","","","","","","","","","","","","","NSC755420","","C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F","JKBITSANLFFHBI-UHFFFAOYSA-N","45483795",NA,"PDBC48824","755420","Present"
-"NSC755422","","","","","","","","","","","","","","","","","","","","NSC755422","","C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F","GAWSDOMFNFILEC-UHFFFAOYSA-N","70694505",NA,"PDBC48825","755422","Present"
-"NSC755423","","","","","","","","","","","","","","","","","","","","NSC755423","","C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F","FDTVZGCGBOKBGT-UHFFFAOYSA-N","53361480",NA,"PDBC48826","755423","Present"
-"NSC755424","","","","","","","","","","","","","","","","","","","","NSC755424","","C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl","RDRHRIYSWMLPJS-UHFFFAOYSA-N","70692460",NA,"PDBC48827","755424","Present"
-"NSC755425","","","","","","","","","","","","","","","","","","","","NSC755425","","C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl","ZBYNMTDIPGVXCI-UHFFFAOYSA-N","53361479",NA,"PDBC48828","755425","Present"
-"NSC755426","","","","","","","","","","","","","","","","","","","","NSC755426","","CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6","YEOGKHZRTFBASG-UHFFFAOYSA-N","70692461",NA,"PDBC48829","755426","Present"
-"NSC755427","","","","","","","","","","","","","","","","","","","","NSC755427","","C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F","XIHVAPDBFVMZIG-UHFFFAOYSA-N","53361481",NA,"PDBC48830","755427","Present"
-"NSC755428","","","","","","","","","","","","","","","","","","","","NSC755428","","C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=CC(=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","PADCNAACUVFRJZ-UHFFFAOYSA-N","70694504",NA,"PDBC48831","755428","Present"
-"NSC755429","","","","","","","","","","","","","","","","","","","","NSC755429","","C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F","PZEXTWWIKNZVMJ-UHFFFAOYSA-N","56931001",NA,"PDBC48832","755429","Present"
-"NSC755431","","","","","","","","","","","","","","","","","","","","NSC755431","","C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=CC5=C4C=CN=C5N)C(F)(F)F","NMVUWBUQOMNYQR-UHFFFAOYSA-N","142711385",NA,"PDBC48833","755431","Present"
-"NSC755433","","","","","","","","","","","","","","","","","","","","NSC755433","","C1=CC(=CC(=C1)O)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNC(=O)NC5=CC=CC(=C5)C(F)(F)F","VCDZPEUTOVBEPL-UHFFFAOYSA-N","56649567",NA,"PDBC48834","755433","Present"
-"NSC755435","","","","","","","","","","","","","","","","","","","","NSC755435","","C1=CC=C(C(=C1)C(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O)O","PPHVDJJPJBPBIE-UHFFFAOYSA-N","56649602",NA,"PDBC48835","755435","Present"
-"NSC755439","","","","","","","","","","","","","","","","","","","","NSC755439","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl","PRISFNURXALNSF-UHFFFAOYSA-N","142712077",NA,"PDBC48836","755439","Present"
-"NSC755440","","","","","","","","","","","","","","","","","","","","NSC755440","","C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","CBZIANYZQFTNHM-UHFFFAOYSA-N","142712062",NA,"PDBC48837","755440","Present"
-"NSC755441","","","","","","","","","","","","","","","","","","","","NSC755441","","C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","YOIOZXIXKBQLKX-UHFFFAOYSA-N","142712074",NA,"PDBC48838","755441","Present"
-"NSC755442","","","","","","","","","","","","","","","","","","","","NSC755442","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl)Cl","UCJCCJHRDNKBRN-UHFFFAOYSA-N","142712087",NA,"PDBC48839","755442","Present"
-"NSC755443","","","","","","","","","","","","","","","","","","","","NSC755443","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","UIDJMKWBKOFAQP-UHFFFAOYSA-N","142712072",NA,"PDBC48840","755443","Present"
-"NSC755444","","","","","","","","","","","","","","","","","","","","NSC755444","","C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)Cl)Cl)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","ILOFHXYKSAVOKZ-UHFFFAOYSA-N","142712078",NA,"PDBC48841","755444","Present"
-"NSC755446","","","","","","","","","","","","","","","","","","","","NSC755446","","COC1=CC=CC(=C1)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNC(=O)NC5=CC=CC(=C5)C(F)(F)F","YVHIIJAEZHQWKT-UHFFFAOYSA-N","56649566",NA,"PDBC48842","755446","Present"
-"NSC755454","","","","","","","","","","","","","","","","","","","","NSC755454","","C1=CC(=CC=C1NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","LZGOMVRROFWMFF-UHFFFAOYSA-N","142712079",NA,"PDBC48843","755454","Present"
-"NSC755455","","","","","","","","","","","","","","","","","","","","NSC755455","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)Cl","NOJBWGPTVYKDDR-UHFFFAOYSA-N","142712067",NA,"PDBC48844","755455","Present"
-"NSC755456","","","","","","","","","","","","","","","","","","","","NSC755456","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","WEZFNSPNDOQJNG-UHFFFAOYSA-N","142712080",NA,"PDBC48845","755456","Present"
-"NSC755458","","","","","","","","","","","","","","","","","","","","NSC755458","","C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)Cl)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","MZZMYLWGOTYNHE-UHFFFAOYSA-N","142712073",NA,"PDBC48846","755458","Present"
-"NSC755459","","","","","","","","","","","","","","","","","","","","NSC755459","","C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","OUOROFPIFJWKOS-UHFFFAOYSA-N","142712090",NA,"PDBC48847","755459","Present"
-"NSC755461","","","","","","","","","","","","","","","","","","","","NSC755461","","C1=CC=C(C=C1)C(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O","LFYPPNJBUXJRMO-UHFFFAOYSA-N","56649601",NA,"PDBC48848","755461","Present"
-"NSC755464","","","","","","","","","","","","","","","","","","","","NSC755464","","C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=CC=C(C=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","ADYKPYDSRQWRIM-UHFFFAOYSA-N","142712070",NA,"PDBC48849","755464","Present"
-"NSC755465","","","","","","","","","","","","","","","","","","","","NSC755465","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)Cl)Cl)Cl","SDRFHEZPBMIZQX-UHFFFAOYSA-N","142712058",NA,"PDBC48850","755465","Present"
-"NSC755466","","","","","","","","","","","","","","","","","","","","NSC755466","","C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=CC5=C(N=CN=C54)N)C(F)(F)F","PSELCVRPIYANFU-UHFFFAOYSA-N","155811285",NA,"PDBC48851","755466","Present"
-"NSC755469","","","","","","","","","","","","","","","","","","","","NSC755469","","C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4C=CC5=C4C=CN=C5N)C(F)(F)F","ZQXLHYZPQCKQLL-UHFFFAOYSA-N","53375899",NA,"PDBC48852","755469","Present"
-"NSC755523","","","","","","","","","","","","","","","","","","","","NSC755523","","","","",NA,"PDBC48853","755523","Present"
-"NSC755790","","","","","","","","","","","","","","","","","","","","NSC755790","","C1=CC=C2C(=C1)C=C(C(=O)N2)C=CC(=O)C3=CC=C(C=C3)O","BGYVIOLLJVLLIC-JXMROGBWSA-N","34903503",NA,"PDBC48854","755790","Present"
-"NSC755801","","","","","","","","","","","","","","","","","","","","NSC755801","","COC1=CC2=C(C=C1)C(CCN2CC3=CC=C(C=C3)Cl)N4CCCC4=O","MDAVZJPHPZROKU-UHFFFAOYSA-N","155815933",NA,"PDBC48855","755801","Present"
-"NSC755803","","","","","","","","","","","","","","","","","","","","NSC755803","","C1=NC2=C(N1)C(=NC=N2)SCC=CCCl","CXWZYGCTGMBFJK-OWOJBTEDSA-N","64683160",NA,"PDBC48856","755803","Present"
-"NSC755804","","","","","","","","","","","","","","","","","","","","NSC755804","","C1=CC=C(C(=C1)CSC2=NC(=NC3=C2NC=N3)N)CCl","TYRROHSIUWCESN-UHFFFAOYSA-N","155811224",NA,"PDBC48857","755804","Present"
-"NSC755841","","","","","","","","","","","","","","","","","","","","NSC755841","","CC1=C2C(=C(C=C1)C(=O)OC(C)C3C(=O)NC(C(=O)N4CCCC4C(=O)N(CC(=O)N(C(C(=O)N3)C(C)C)C)C)C(C)C)N=C5C(=C(C(=O)C(=C5O2)C)N)C(=O)OC(C)C6C(=O)NC(C(=O)N7CCCC7C(=O)N(CC(=O)N(C(C(=O)N6)C(C)C)C)C)C(C)C","QKRYGAZNLBVXHK-UHFFFAOYSA-N","45006140",NA,"PDBC48858","755841","Present"
-"NSC756053","","","","","","","","","","","","","","","","","","","","NSC756053","","CNC(=O)NC1=CC=C(C=C1)C2=C3C=NN(C3=NC(=N2)N4CCOCC4)C5CCOCC5","MXPRZJWKEJGHJF-UHFFFAOYSA-N","46206016",NA,"PDBC48859","756053","Present"
-"NSC756086","","","","","","","","","","","","","","","","","","","","NSC756086","","C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=C(C=C5)Cl)Cl)C(=O)OC4)CCO","PEAKVZRAGYGWHS-UHFFFAOYSA-N","118715237",NA,"PDBC48860","756086","Present"
-"NSC756087","","","","","","","","","","","","","","","","","","","","NSC756087","","C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC(=CC=C5)Br","PPSSNNXVCWTZKK-UHFFFAOYSA-N","118715238",NA,"PDBC48861","756087","Present"
-"NSC756089","","","","","","","","","","","","","","","","","","","","NSC756089","","C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC(=C(C=C5)Cl)Cl","FKUFBPVAAUHKSI-UHFFFAOYSA-N","118715240",NA,"PDBC48862","756089","Present"
-"NSC756090","","","","","","","","","","","","","","","","","","","","NSC756090","","COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=C(C(=C4)OC)OC)OC","TZIPAQBRULNFOF-UHFFFAOYSA-N","118715241",NA,"PDBC48863","756090","Present"
-"NSC756091","","","","","","","","","","","","","","","","","","","","NSC756091","","COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=C(C=C4)OC)OC","JDOVLOHNVQKABN-UHFFFAOYSA-N","118715242",NA,"PDBC48864","756091","Present"
-"NSC756106","","","","","","","","","","","","","","","","","","","","NSC756106","","CCC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=C(C(=C4)OC)OC)OC","NPCPXUXJDZDTON-UHFFFAOYSA-N","118715254",NA,"PDBC48865","756106","Present"
-"NSC756619","","","","","","","","","","","","","","","","","","","","NSC756619","","C1=CC(=CC=C1C2=NN3C(=NN=C3S2)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)F","DATPAUQNEGXRPQ-UHFFFAOYSA-N","155809975",NA,"PDBC48866","756619","Present"
-"NSC756620","","","","","","","","","","","","","","","","","","","","NSC756620","","C1CCC(C1)C(=O)NC2=NN3C(=NN=C3S2)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","RVCNZBLOFQQNTG-UHFFFAOYSA-N","155815987",NA,"PDBC48867","756620","Present"
-"NSC756628","","","","","","","","","","","","","","","","","","","","NSC756628","","C1CCN(C1)C2=NN3C(=NN=C3SC2)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","IWJMHXFYLFCRBO-UHFFFAOYSA-N","155808235",NA,"PDBC48868","756628","Present"
-"NSC756635","","","","","","","","","","","","","","","","","","","","NSC756635","","CCOC(=O)N1CCC(CC1)N=C2CSC3=NN=C(N3N2)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","CKCPDEHEQVTTHS-UHFFFAOYSA-N","155811398",NA,"PDBC48869","756635","Present"
-"NSC756833","","","","","","","","","","","","","","","","","","","","NSC756833","","CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2N4C(SCC4=O)C5=CC=CC=C5Cl","CNZZNTYMBVKGEM-UHFFFAOYSA-N","155808087",NA,"PDBC48870","756833","Present"
-"NSC756971","","","","","","","","","","","","","","","","","","","","NSC756971","","COC1=C(C=C(C=C1)CN=C(N)N=C(N)N)OC","SKZRMFFZOJHVNU-UHFFFAOYSA-N","83036736",NA,"PDBC48871","756971","Present"
-"NSC757027","","","","","","","","","","","","","","","","","","","","NSC757027","","CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O","BFPYWIDHMRZLRN-OQPPHWFISA-N","24707",NA,"PDBC48872","757027","Present"
-"NSC757129","","","","","","","","","","","","","","","","","","","","NSC757129","","C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=CN=C3SCC4=CC(=CC=C4)CCl","IAYYPBFCGIIMSG-UHFFFAOYSA-N","155808303",NA,"PDBC48873","757129","Present"
-"NSC757135","","","","","","","","","","","","","","","","","","","","NSC757135","","CC1=CC(=C(C(=C1)CN(C)CCN(C)CC2=CC(=CC(=C2[O-])C)C)[O-])C.C1=CC(=NC(=C1)C(=O)[O-])C(=O)[O-].[Ti+4]","SQEAIUSCCKSXMR-UHFFFAOYSA-J","155806789",NA,"PDBC48874","757135","Present"
-"NSC757145","","","","","","","","","","","","","","","","","","","","NSC757145","","CCCCCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)CC)C","BCLOHFYDGKVJBU-STZFKDTASA-N","155816003",NA,"PDBC48875","757145","Present"
-"NSC757569","","","","","","","","","","","","","","","","","","","","NSC757569","","COC1=CC(=CC(=C1)C(F)(F)F)C2=NN(C=N2)C=CC3=NN=CO3","INEKMXPDNAXCDW-IHWYPQMZSA-N","57524026",NA,"PDBC48876","757569","Present"
-"NSC757911","","","","","","","","","","","","","","","","","","","","NSC757911","","CCCN(CCC)C1=CC(=C(C=C1)C=NNC(=O)C2=CN=CC=C2)C","RYTFENZNBMVESD-PXLXIMEGSA-N","155812952",NA,"PDBC48877","757911","Present"
-"NSC757912","","","","","","","","","","","","","","","","","","","","NSC757912","","CCCN(CCC)C1=CC(=C(C=C1)C=NNC(=O)C2=CN=CC=C2)OC","XFGVCSLWXIDXJZ-PXLXIMEGSA-N","155812951",NA,"PDBC48878","757912","Present"
-"NSC757913","","","","","","","","","","","","","","","","","","","","NSC757913","","CCCN(CCC)C1=CC(=C(C=C1)C=NNC(=O)C2=CN=CC=C2)Cl","AZPPTAUQRACYRJ-HYARGMPZSA-N","155808125",NA,"PDBC48879","757913","Present"
-"NSC757914","","","","","","","","","","","","","","","","","","","","NSC757914","","CCCN(CCC)C1=CC=C(C=C1)C=NNC(=O)C2=CN=CC=C2","MMZVVRORJGIACS-KGENOOAVSA-N","6887203",NA,"PDBC48880","757914","Present"
-"NSC757968","","","","","","","","","","","","","","","","","","","","NSC757968","","COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","XSUBNQQKENMWAB-JWDFLIAJSA-N","155813062",NA,"PDBC48881","757968","Present"
-"NSC757981","","","","","","","","","","","","","","","","","","","","NSC757981","","COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCCNCCCN)C2=O","JBWPEZUVPGPKOS-UHFFFAOYSA-N","137655794",NA,"PDBC48882","757981","Present"
-"NSC757982","","","","","","","","","","","","","","","","","","","","NSC757982","","CN(C)CCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCN=C=S)C1=O","DFLLESXVHVLXDP-UHFFFAOYSA-N","57327694",NA,"PDBC48883","757982","Present"
-"NSC757983","","","","","","","","","","","","","","","","","","","","NSC757983","","COC1=C(C(=C(C=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCCNCCCN)C2=O)OC)OC","KIKWEYHUAQBQKY-UHFFFAOYSA-N","137660355",NA,"PDBC48884","757983","Present"
-"NSC758024","","","","","","","","","","","","","","","","","","","","NSC758024","","COC1=CC(=CC2=C1OCO2)C3C4=CC5=C(C=C4NC6=C3C(=O)OC6)OCO5","YJNRXXHBRODLRR-UHFFFAOYSA-N","42648316",NA,"PDBC48885","758024","Present"
-"NSC758025","","","","","","","","","","","","","","","","","","","","NSC758025","","COC1=CC2=C(C=C1)C(C3=C(N2)COC3=O)C4=CC5=C(C(=C4)OC)OCO5","OWLSEJAZLQGGME-UHFFFAOYSA-N","46949030",NA,"PDBC48886","758025","Present"
-"NSC758026","","","","","","","","","","","","","","","","","","","","NSC758026","","COC1=CC2=C(C=C1)NC3=C(C2C4=CC5=C(C(=C4)OC)OCO5)C(=O)OC3","VGRQJDNRNLNMKL-UHFFFAOYSA-N","46949029",NA,"PDBC48887","758026","Present"
-"NSC758027","","","","","","","","","","","","","","","","","","","","NSC758027","","COC1=C(C=C(C=C1)C(=O)C2=CC3=C(C(=C2)OC)OCO3)O","MIRIDVREUSBSAM-UHFFFAOYSA-N","46949031",NA,"PDBC48888","758027","Present"
-"NSC758028","","","","","","","","","","","","","","","","","","","","NSC758028","","COC1=CC(=CC2=C1OCO2)C3C4=C(C=C5CCCC5=C4)NC6=C3C(=O)OC6","HTJYIHIQSZPFGZ-UHFFFAOYSA-N","46949594",NA,"PDBC48889","758028","Present"
-"NSC758029","","","","","","","","","","","","","","","","","","","","NSC758029","","COC1=CC=C(C=C1)C2=C(ON=C2C3=CC(=C(C(=C3)OC)OC)OC)N","VUFWURPHGAUZMX-UHFFFAOYSA-N","46227182",NA,"PDBC48890","758029","Present"
-"NSC758030","","","","","","","","","","","","","","","","","","","","NSC758030","","COC1=CC=C(C=C1)C2=C(ON=C2C3=CC4=C(C(=C3OC)OC)OCO4)N","JFPMMWDHYKMTKQ-UHFFFAOYSA-N","76310392",NA,"PDBC48891","758030","Present"
-"NSC758031","","","","","","","","","","","","","","","","","","","","NSC758031","","COC1=CC=C(C=C1)C2=C(ON=C2C3=CC4=C(C(=C3)OC)OCO4)N","VPMZPOXBAFWLGR-UHFFFAOYSA-N","46949815",NA,"PDBC48892","758031","Present"
-"NSC758032","","","","","","","","","","","","","","","","","","","","NSC758032","","COC1=CC2=C(C=C1)C(C3=C(O2)COC3=O)C4=CC5=C(C(=C4)OC)OCO5","WABKWFNCJFJSQT-UHFFFAOYSA-N","57404230",NA,"PDBC48893","758032","Present"
-"NSC758033","","","","","","","","","","","","","","","","","","","","NSC758033","","COC1=CC=C(C=C1)C=C(C#N)C2=CC3=C(C(=C2)OC)OCO3","FWOIUSGFCCEQFD-VGOFMYFVSA-N","51138378",NA,"PDBC48894","758033","Present"
-"NSC758516","","","","","","","","","","","","","","","","","","","","NSC758516","","CC1=CC(=CC(=C1N)C)C2=NNC(=O)CC3=CC4=C(C=C32)OCCO4","DZHZMUQHYGYDSE-UHFFFAOYSA-N","44452462",NA,"PDBC48895","758516","Present"
-"NSC758531","","","","","","","","","","","","","","","","","","","","NSC758531","","CC1CCCC(=CCCC2(C(CC3C(C1OC(=O)C3=C)O2)O)C)C","HTFJCLBNRQBUKL-XCBYQVHCSA-N","155811375",NA,"PDBC48896","758531","Present"
-"NSC758534","","","","","","","","","","","","","","","","","","","","NSC758534","","CCN(CC)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC4=C(C(=C3)OC)OCO4","JFLPFZZKAULZBF-UHFFFAOYSA-N","10293974",NA,"PDBC48897","758534","Present"
-"NSC758535","","","","","","","","","","","","","","","","","","","","NSC758535","","COC1=CC(=CC2=C1OCO2)C(=CC3=C(C4=C(C=C3)OCO4)OC)C#N","CVLQCUBQUFIQDF-WLRTZDKTSA-N","155811231",NA,"PDBC48898","758535","Present"
-"NSC758539","","","","","","","","","","","","","","","","","","","","NSC758539","","COC1=CC(=CC2=C1OCO2)C=CC(=O)C=CC3=CC4=C(C(=C3)OC)OCO4","ANMSMNWTKOXGBL-GGWOSOGESA-N","91973099",NA,"PDBC48899","758539","Present"
-"NSC758540","","","","","","","","","","","","","","","","","","","","NSC758540","","COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2OC)OC)OC)OC)O","MKHNJSNSCKYEJF-UHFFFAOYSA-N","53319891",NA,"PDBC48900","758540","Present"
-"NSC758542","","","","","","","","","","","","","","","","","","","","NSC758542","","C1=CC(=CC=C1C2=NNC(=C2)C3=C(C=CC(=C3)Cl)O)F","SRMJCIBGUOPXNP-UHFFFAOYSA-N","685418",NA,"PDBC48901","758542","Present"
-"NSC758545","","","","","","","","","","","","","","","","","","","","NSC758545","","COC1=CC=C(C=C1)C2=C(ON=C2)C3=C(C=C(C=C3)OC)O","PEVNUEUZMKARKC-UHFFFAOYSA-N","135577618",NA,"PDBC48902","758545","Present"
-"NSC758548","","","","","","","","","","","","","","","","","","","","NSC758548","","COC1=CC=C(C=C1)C2=C(C(=O)CC2)C3=CC(=C(C(=C3)OC)OC)OC","OSYVSONSKGGOKU-UHFFFAOYSA-N","44301775",NA,"PDBC48903","758548","Present"
-"NSC758551","","","","","","","","","","","","","","","","","","","","NSC758551","","COC1=CC=C(C=C1)C2=C(NN=C2N)C3=CC(=C(C(=C3)OC)OC)OC","SITNEARYBVAYKV-UHFFFAOYSA-N","46183322",NA,"PDBC48904","758551","Present"
-"NSC758553","","","","","","","","","","","","","","","","","","","","NSC758553","","COC1=CC=C(C=C1)C2=C(C(=NN2)N)C3=CC4=C(C(=C3)OC)OCO4","GIOSRJQJUKBUHY-UHFFFAOYSA-N","51138521",NA,"PDBC48905","758553","Present"
-"NSC758554","","","","","","","","","","","","","","","","","","","","NSC758554","","C1COC2=C(O1)C=CC(=C2)NC(=O)C(=O)C3=CNC4=CC=CC=C43","DJNRVNKKGUZCQU-UHFFFAOYSA-N","5304336",NA,"PDBC48906","758554","Present"
-"NSC758556","","","","","","","","","","","","","","","","","","","","NSC758556","","C1OC2=C(O1)C=C(C=C2)NC(=O)C(=O)C3=CNC4=C3C=CC(=C4)F","STBUUOGXPODQQP-UHFFFAOYSA-N","16762259",NA,"PDBC48907","758556","Present"
-"NSC758845","","","","","","","","","","","","","","","","","","","","NSC758845","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NCC(=O)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O","FJXVSAFLKIYPLD-UHFFFAOYSA-N","155813050",NA,"PDBC48908","758845","Present"
-"NSC758977","","","","","","","","","","","","","","","","","","","","NSC758977","","CC1=CC=C(S1)C=CC(=O)C2=CC=C(C=C2)F","RESDEUOXTVNZGW-CMDGGOBGSA-N","5902756",NA,"PDBC48909","758977","Present"
-"NSC758983","","","","","","","","","","","","","","","","","","","","NSC758983","","CN1CC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C(C1)C(C4=C(N3)N=C(NC4=O)SC)C5=CC(=C(C(=C5)OC)OC)OC","NTWNFVKIPIOAEO-GIJQJNRQSA-N","136226177",NA,"PDBC48910","758983","Present"
-"NSC759004","","","","","","","","","","","","","","","","","","","","NSC759004","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=C(C=C5)Cl","NUPVJQAQMDZZRV-UHFFFAOYSA-N","72374604",NA,"PDBC48911","759004","Present"
-"NSC759006","","","","","","","","","","","","","","","","","","","","NSC759006","","C1C(N(N=C1C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C=O)C5=CC=C(C=C5)Cl","NHDCLIHKQFTGPS-UHFFFAOYSA-N","72374705",NA,"PDBC48912","759006","Present"
-"NSC759013","","","","","","","","","","","","","","","","","","","","NSC759013","","COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CCCCC3)OCCCCCCOC4=C(C=C(C=C4)C=C5C(=O)N=C(S5)N6CCCCC6)OC","PFCMVRAOCLQEJV-LYWFMZLMSA-N","155816025",NA,"PDBC48913","759013","Present"
-"NSC759015","","","","","","","","","","","","","","","","","","","","NSC759015","","C1C(N(N=C1C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C=O)C5=CC=CC=C5","ARIXGTWCQSIQTC-UHFFFAOYSA-N","72374706",NA,"PDBC48914","759015","Present"
-"NSC759016","","","","","","","","","","","","","","","","","","","","NSC759016","","COC1=CC=C(C=C1)C2CC(=NN2C=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","UPRBSZYGEYEIFB-UHFFFAOYSA-N","72374707",NA,"PDBC48915","759016","Present"
-"NSC759017","","","","","","","","","","","","","","","","","","","","NSC759017","","COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","ASTWHZQZVAVCHA-UHFFFAOYSA-N","72374708",NA,"PDBC48916","759017","Present"
-"NSC759018","","","","","","","","","","","","","","","","","","","","NSC759018","","CC1=CC=C(C=C1)C2CC(=NN2C=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","NPFXESKRDWSUQH-UHFFFAOYSA-N","72374709",NA,"PDBC48917","759018","Present"
-"NSC759025","","","","","","","","","","","","","","","","","","","","NSC759025","","CC1(CC(C2=C(O1)C=CC(=C2)NC(=O)OC(C)(C)C)NC(=O)NC3=CC=CC(=C3)C#N)C","CJYMCBSCMOLHIE-UHFFFAOYSA-N","60141294",NA,"PDBC48918","759025","Present"
-"NSC759205","","","","","","","","","","","","","","","","","","","","NSC759205","","C1=CC=C2C(=C1)NC(=N2)C(=O)CCC3=NN=C(O3)C4=C(C=CC=C4Cl)Cl","QJYMHHLFMIEYOQ-UHFFFAOYSA-N","155805147",NA,"PDBC48919","759205","Present"
-"NSC759762","","","","","","","","","","","","","","","","","","","","NSC759762","","COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4","YYZIKUYNPMRVIX-UHFFFAOYSA-N","71680778",NA,"PDBC48920","759762","Present"
-"NSC759911","","","","","","","","","","","","","","","","","","","","NSC759911","","CN1CCCNC2=C(C(=O)C2=O)NCCCN(CCCNC3=C(C(=O)C3=O)NCCCN(CCCNC4=C(C(=O)C4=O)NCCCN(CCCNC5=C(C(=O)C5=O)NCCCN(CCCNC6=C(C(=O)C6=O)NCCCN(CCCNC7=C(C(=O)C7=O)NCCCN(CCCNC8=C(C(=O)C8=O)NCCC1)C)C)C)C)C)C","HVNZFNCEIHVGBN-UHFFFAOYSA-N","71467249",NA,"PDBC48921","759911","Present"
-"NSC760200","","","","","","","","","","","","","","","","","","","","NSC760200","","C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)NC4=C(O3)C=CC(=C4)Cl","PGAAGKZEOCRNKU-UHFFFAOYSA-N","5301223",NA,"PDBC48922","760200","Present"
-"NSC760216","","","","","","","","","","","","","","","","","","","","NSC760216","","C1COC2=C(O1)C=CC(=C2)NC3=NN=C(O3)C4=CC=CC=C4NCC5=CN=CC=C5","GCHJYWWYEAACSD-UHFFFAOYSA-N","5147158",NA,"PDBC48923","760216","Present"
-"NSC760217","","","","","","","","","","","","","","","","","","","","NSC760217","","C1COC2=C(O1)C=CC(=C2)NC3=NN=C(O3)C4=CC=CC=C4NCC5=CC=NC=C5","IQVQCEHRAJVTIU-UHFFFAOYSA-N","5147157",NA,"PDBC48924","760217","Present"
-"NSC760220","","","","","","","","","","","","","","","","","","","","NSC760220","","COC1=CC2=C(C=C1)C(C3=C(N2)COC3=O)C4=CC(=CC(=C4)OC)OC","LGJCFMXXNMRJEO-UHFFFAOYSA-N","44593137",NA,"PDBC48925","760220","Present"
-"NSC760222","","","","","","","","","","","","","","","","","","","","NSC760222","","COC1=CC2=C(C=C1)C(C3=C(O2)COC3=O)C4=CC(=C(C(=C4)OC)OC)OC","HATZBFXMURZONN-UHFFFAOYSA-N","51138513",NA,"PDBC48926","760222","Present"
-"NSC760223","","","","","","","","","","","","","","","","","","","","NSC760223","","C1C2=C(C(C3=CC4=C(C=C3N2)OCO4)C5=CC=CC=C5)C(=O)O1","BDMYAZQPJOCOKN-UHFFFAOYSA-N","3489043",NA,"PDBC48927","760223","Present"
-"NSC760224","","","","","","","","","","","","","","","","","","","","NSC760224","","COC1=CC(=CC2=C1OCO2)C3C4=C(C5=C(CCCC5)C=C4)NC6=C3C(=O)OC6","TYHUBYKXPIXYJV-UHFFFAOYSA-N","46949592",NA,"PDBC48928","760224","Present"
-"NSC760452","","","","","","","","","","","","","","","","","","","","NSC760452","","C1=CC=C2C(=C1)NC(=N2)C(=O)CCC3=NN=C4N3N=C(S4)C5=C(C=C(C=C5)Cl)Cl","IMAJELXTMVLUHE-UHFFFAOYSA-N","71655035",NA,"PDBC48929","760452","Present"
-"NSC760950","","","","","","","","","","","","","","","","","","","","NSC760950","","C1OC2=C(O1)C=C(C=C2)NC3=NN=C(O3)C4=CC=CC=C4NCC5=CN=CC=C5","YGEIJPASRUSQQD-UHFFFAOYSA-N","5147156",NA,"PDBC48930","760950","Present"
-"NSC760951","","","","","","","","","","","","","","","","","","","","NSC760951","","COC1=CC(=CC2=C1OCO2)C3C4=CC5=C(C=C4OC(=C3C#N)N)OCO5","QEVYVYPSEWQDPA-UHFFFAOYSA-N","9947300",NA,"PDBC48931","760951","Present"
-"NSC760952","","","","","","","","","","","","","","","","","","","","NSC760952","","COC1=CC=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4","HLTIWUUAMXMQRC-UHFFFAOYSA-N","56951977",NA,"PDBC48932","760952","Present"
-"NSC760953","","","","","","","","","","","","","","","","","","","","NSC760953","","C1OC2=C(O1)C=C3C(=C2)C(C(=C(O3)N)C#N)C4=CC=CS4","CPUQBCLTABRYQF-UHFFFAOYSA-N","56951978",NA,"PDBC48933","760953","Present"
-"NSC760954","","","","","","","","","","","","","","","","","","","","NSC760954","","COC1=CC=C(C=C1)C=C(C#N)C2=CC(=C(C(=C2)OC)OC)OC","IHKBGXGPWWAEPU-OQLLNIDSSA-N","10568070",NA,"PDBC48934","760954","Present"
-"NSC760955","","","","","","","","","","","","","","","","","","","","NSC760955","","COC1=CC=C(C=C1)C2=C(ON=C2N)C3=CC4=C(C(=C3)OC)OCCO4","XSKZNHPFLZNNHA-UHFFFAOYSA-N","76328509",NA,"PDBC48935","760955","Present"
-"NSC760956","","","","","","","","","","","","","","","","","","","","NSC760956","","COC1=CC2=C(C=C1)C(C3=C(O2)COC3=O)C4=CC5=C(C(=C4)OC)OCCO5","SJGGWYVNZAEBPH-UHFFFAOYSA-N","57404231",NA,"PDBC48936","760956","Present"
-"NSC760958","","","","","","","","","","","","","","","","","","","","NSC760958","","COC1=CC=C(C=C1)C2NC3=CC4=C(C=C3C(=O)N2)OCO4","RWEMFXBIKZUUPQ-UHFFFAOYSA-N","155805124",NA,"PDBC48937","760958","Present"
-"NSC760968","","","","","","","","","","","","","","","","","","","","NSC760968","","COC1=CC=C(C=C1)C2=CN=NN2C3=NON=C3N4C=CC=C4","MXDBFQMQEBFVMR-UHFFFAOYSA-N","5297068",NA,"PDBC48938","760968","Present"
-"NSC760978","","","","","","","","","","","","","","","","","","","","NSC760978","","COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCCNCCCN)C2=O","ZLWLAMPQBDNTRX-UHFFFAOYSA-N","137637897",NA,"PDBC48939","760978","Present"
-"NSC760979","","","","","","","","","","","","","","","","","","","","NSC760979","","COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCN)C2=O","HXHVPSWNELPNPY-UHFFFAOYSA-N","137645384",NA,"PDBC48940","760979","Present"
-"NSC760980","","","","","","","","","","","","","","","","","","","","NSC760980","","COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCOCCCCOCCCN)C2=O","HZCWFXMCNAKZMP-UHFFFAOYSA-N","137647086",NA,"PDBC48941","760980","Present"
-"NSC761039","","","","","","","","","","","","","","","","","","","","NSC761039","","C1COC2=C(O1)C=C3CC(=O)NN=C(C3=C2)C4=CC(=C(C=C4)N)Cl","DEWIZYUNPVSWTP-UHFFFAOYSA-N","44406352",NA,"PDBC48942","761039","Present"
-"NSC761065","","","","","","","","","","","","","","","","","","","","NSC761065","","CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4OC(=O)CC[Se][Se]CCC(=O)OC5CCC6C5(CCC7C6CCC8C7(CCC(=O)C8)C)C)C","DJXVHJNNEGAJNB-HMZYYOGWSA-N","155812979",NA,"PDBC48943","761065","Present"
-"NSC761083","","","","","","","","","","","","","","","","","","","","NSC761083","","CSC1=CC=C(C=C1)C=C2C=C(C3=C2C=CC(=C3)F)CC(=O)NCC4=CC=C(C=C4)C(=O)C5=CC=CC=C5","JSNJYQNQNJMSSR-YZSQISJMSA-N","57563359",NA,"PDBC48944","761083","Present"
-"NSC761137","","","","","","","","","","","","","","","","","","","","NSC761137","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C=CC3=CC(=C(C=C3)OC)OC","FZCRNLJLGZSQNG-LMEHAKNHSA-N","155808288",NA,"PDBC48945","761137","Present"
-"NSC761138","","","","","","","","","","","","","","","","","","","","NSC761138","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","AOWDBZAJEJLEJU-CWXHDNBGSA-N","155816075",NA,"PDBC48946","761138","Present"
-"NSC761139","","","","","","","","","","","","","","","","","","","","NSC761139","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C=CC3=CC=C(C=C3)F","XZPPUJHSLYKZJF-FNYRDHLYSA-N","134197472",NA,"PDBC48947","761139","Present"
-"NSC761141","","","","","","","","","","","","","","","","","","","","NSC761141","","COC1=CC(=CC(=C1OC)NC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC","QOUCIYXDOMKIRQ-XAZJVICWSA-N","155816071",NA,"PDBC48948","761141","Present"
-"NSC761142","","","","","","","","","","","","","","","","","","","","NSC761142","","COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CC(=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC","CTBCBCVVQKCVJR-CWXHDNBGSA-N","155806886",NA,"PDBC48949","761142","Present"
-"NSC761156","","","","","","","","","","","","","","","","","","","","NSC761156","","CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC(=O)CCl","OFKKIEPXDRKLBZ-PXIZRQDGSA-N","155806822",NA,"PDBC48950","761156","Present"
-"NSC761184","","","","","","","","","","","","","","","","","","","","NSC761184","","CN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)C=CC2=CC(=CC=C2)Cl","AJCDZIDKYKCOMZ-AATRIKPKSA-N","51003603",NA,"PDBC48951","761184","Present"
-"NSC761191","","","","","","","","","","","","","","","","","","","","NSC761191","","COC1=C(C=CC(=C1)OCCCN2CCCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl","RQDNRYSBNFWQCV-UHFFFAOYSA-N","68165315",NA,"PDBC48952","761191","Present"
-"NSC761233","","","","","","","","","","","","","","","","","","","","NSC761233","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)OC)C4=CC=NC=C4","YULXNOGHTBMJEX-UHFFFAOYSA-N","155804967",NA,"PDBC48953","761233","Present"
-"NSC761335","","","","","","","","","","","","","","","","","","","","NSC761335","","CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC)C)C","VFGZXFZKAMCGOG-UHFFFAOYSA-N","981662",NA,"PDBC48954","761335","Present"
-"NSC761340","","","","","","","","","","","","","","","","","","","","NSC761340","","CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C=C3C=NC4=C3C=C(C=C4)Br","ZMKNHZHVBNOXPI-KPKJPENVSA-N","60196151",NA,"PDBC48955","761340","Present"
-"NSC76150","","","","","","","","","","","","","","","","","","","","NSC76150","","C1CCN(CC1)C2C(CCO2)OC3C(OC4C(O3)COC4N5CCCCC5)N6CCCCC6","GEIVMATTYGLBGB-SQIYIBJGSA-N","253322",NA,"PDBC48956","76150","Present"
-"NSC761517","","","","","","","","","","","","","","","","","","","","NSC761517","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCCOC3=CC4=CC=CC=C4C=C3C(=O)NC5=C(C=C(C=C5)Cl)O)OCCCN","BPZOGWXXIUMIML-UHFFFAOYSA-N","71566310",NA,"PDBC48957","761517","Present"
-"NSC761526","","","","","","","","","","","","","","","","","","","","NSC761526","","CCCCCCCCCCCCNC(=O)NC(C(C)C)C(=O)NC1C=CCCNC(=O)C=CC(NC1=O)C","TXNDCVCDINQHIX-OEXOOWIWSA-N","90055426",NA,"PDBC48958","761526","Present"
-"NSC761527","","","","","","","","","","","","","","","","","","","","NSC761527","","CCCCCCCCCCCCNC(=O)NC(C(C)C)C(=O)NC1C=COCCNC(=O)C=CC(NC1=O)C(C)C","VDBRWIOBAIOGDE-SZHANPEISA-N","56946443",NA,"PDBC48959","761527","Present"
-"NSC761545","","","","","","","","","","","","","","","","","","","","NSC761545","","CC(C)(C)C1=NN(C2=C1C(=O)CSC(N2)C3=CC=CC=C3Cl)C4=CC=CC=C4","AHJVEKSYYLFJQE-UHFFFAOYSA-N","155808160",NA,"PDBC48960","761545","Present"
-"NSC761549","","","","","","","","","","","","","","","","","","","","NSC761549","","CC1=CC=C(C=C1)N(CC2=CC(=C(C(=C2)OC)OC)OC)C3C4=CC=CC=C4C(=O)O3","UURYIUHASSAWFL-UHFFFAOYSA-N","155808158",NA,"PDBC48961","761549","Present"
-"NSC761550","","","","","","","","","","","","","","","","","","","","NSC761550","","CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)Cl)C4=NNC(=C4)C(C)(C)C","AQSOAQAITSEUIN-UHFFFAOYSA-N","155812982",NA,"PDBC48962","761550","Present"
-"NSC761552","","","","","","","","","","","","","","","","","","","","NSC761552","","CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)Cl)C4=NNC(=C4)C(C)(C)C","SICJDRRTPVTRFH-UHFFFAOYSA-N","155805012",NA,"PDBC48963","761552","Present"
-"NSC761618","","","","","","","","","","","","","","","","","","","","NSC761618","","","","",NA,"PDBC48964","761618","Present"
-"NSC761676","","","","","","","","","","","","","","","","","","","","NSC761676","","C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5Cl","OPZSDYBOKMUIHZ-UHFFFAOYSA-N","46945878",NA,"PDBC48965","761676","Present"
-"NSC761768","","","","","","","","","","","","","","","","","","","","NSC761768","","COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCNCCCN)C2=O","HVKGTKVSZFUWPL-UHFFFAOYSA-N","137662137",NA,"PDBC48966","761768","Present"
-"NSC761769","","","","","","","","","","","","","","","","","","","","NSC761769","","COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCCN)C2=O","OHFXFRJMJUJUJA-UHFFFAOYSA-N","137653213",NA,"PDBC48967","761769","Present"
-"NSC761821","","","","","","","","","","","","","","","","","","","","NSC761821","","C1=CC=C2C(=C1)C(=C(N2)O)C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC=C(C=C6)F","ISANIGPYQXFDRH-VKAVYKQESA-N","155806857",NA,"PDBC48968","761821","Present"
-"NSC761825","","","","","","","","","","","","","","","","","","","","NSC761825","","COC1=CC2=C(C=C1)NC(=C2C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC(=C(C=C6)F)OC)O","ZFTXKZGYQFBIRI-SSZFMOIBSA-N","155810071",NA,"PDBC48969","761825","Present"
-"NSC761826","","","","","","","","","","","","","","","","","","","","NSC761826","","COC1=C(C=CC(=C1)C2=NC(=CC3=C(NC4=CC=CC=C43)O)C=C5C2=NC6=CC=CC=C65)F","NXLNHUMALKTDMG-PEZBUJJGSA-N","155811210",NA,"PDBC48970","761826","Present"
-"NSC761980","","","","","","","","","","","","","","","","","","","","NSC761980","","C1=CC=C2C(=C1)NC(=N2)C(=O)CCC3=NN=C(O3)C4=C(C=C(C=C4Br)N)Br","LVJHIEZABVWAKP-UHFFFAOYSA-N","71451481",NA,"PDBC48971","761980","Present"
-"NSC761982","","","","","","","","","","","","","","","","","","","","NSC761982","","CC1=CNC(=O)N(C1=O)CC2=NN=C(O2)CCC(=O)C3=NC4=CC=CC=C4N3","JDVKRCDPWMTCTR-UHFFFAOYSA-N","155810082",NA,"PDBC48972","761982","Present"
-"NSC761997","","","","","","","","","","","","","","","","","","","","NSC761997","","COC1=CC(=CC(=C1O)CN2CCCCC2)C3=NC4=CC=CC=C4O3","UODWOUQZJKYLJT-UHFFFAOYSA-N","155815922",NA,"PDBC48973","761997","Present"
-"NSC762073","","","","","","","","","","","","","","","","","","","","NSC762073","","CCOC1=CC=C(C=C1)C2=CN=NN2C3=NON=C3N4C=CC=C4","LSLRZBNJQYUOPW-UHFFFAOYSA-N","5300558",NA,"PDBC48974","762073","Present"
-"NSC762105","","","","","","","","","","","","","","","","","","","","NSC762105","","CCN(CC)C1=CC=C(C=C1)C=C2C(=O)C(C(=O)S2)NC3=NN=C(O3)C4=C(N=CC=C4)SCC5=CC=CC=C5","BQNQACJIHUPEKE-QJOMJCCJSA-N","155811172",NA,"PDBC48975","762105","Present"
-"NSC762148","","","","","","","","","","","","","","","","","","","","NSC762148","","C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC=C(C=C3)NC(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)O)O","PTDLLGYYFYDCMI-GBBQBRMQSA-N","155808188",NA,"PDBC48976","762148","Present"
-"NSC762149","","","","","","","","","","","","","","","","","","","","NSC762149","","CC(=O)NC1=CC=C(C=C1)CCC2CCCC=CC3CC(CC3C(C=CC(=O)O2)O)O","QYMLLLAINXDCQI-XBYDYZNLSA-N","71763425",NA,"PDBC48977","762149","Present"
-"NSC762213","","","","","","","","","","","","","","","","","","","","NSC762213","","CC(C)C(C(=O)OC)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","QTQOUDGQKLMTFG-OMQKAAQBSA-N","155805078",NA,"PDBC48978","762213","Present"
-"NSC762348","","","","","","","","","","","","","","","","","","","","NSC762348","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)CC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC","SDNAMNDIWKXJAS-FIFLTTCUSA-N","10813672",NA,"PDBC48979","762348","Present"
-"NSC762458","","","","","","","","","","","","","","","","","","","","NSC762458","","C1=CC=C(C=C1)CN2C=C3C4=CC=CC=C4C(=O)C(C5=C3C2=CC=C5)C6=CN=CC=C6","WILWIMKIEAORLB-UHFFFAOYSA-N","57409953",NA,"PDBC48980","762458","Present"
-"NSC762463","","","","","","","","","","","","","","","","","","","","NSC762463","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C4C2CC5=CC=CC=C5C4=C(C(=C3O)OC)OC","KEISFBXUEZKXLS-UHFFFAOYSA-N","76511174",NA,"PDBC48981","762463","Present"
-"NSC762464","","","","","","","","","","","","","","","","","","","","NSC762464","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C4C2CC5=C(C4=C(C=C3)O)C6=C(C=C5)OCO6","VMJRNQHEWKCHHN-UHFFFAOYSA-N","155809944",NA,"PDBC48982","762464","Present"
-"NSC762465","","","","","","","","","","","","","","","","","","","","NSC762465","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C4C2CC5=C(C4=C(C=C3)O)C=CC(=C5)Cl","JAGIUAMHMUYNSG-UHFFFAOYSA-N","155809945",NA,"PDBC48983","762465","Present"
-"NSC762539","","","","","","","","","","","","","","","","","","","","NSC762539","","C1C(N(N=C1C2=CC(=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C=O)C5=CC=C(C=C5)Cl","IHBIYHNMPZRNJE-UHFFFAOYSA-N","72374827",NA,"PDBC48984","762539","Present"
-"NSC762540","","","","","","","","","","","","","","","","","","","","NSC762540","","C1C(N(N=C1C2=CC(=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C=O)C5=CC=CC=C5","LPOFQDCYICNZSO-UHFFFAOYSA-N","72374828",NA,"PDBC48985","762540","Present"
-"NSC762541","","","","","","","","","","","","","","","","","","","","NSC762541","","COC1=CC=C(C=C1)C2CC(=NN2C=O)C3=CC(=CC=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","DLMCHZCMYHLUCE-UHFFFAOYSA-N","72374829",NA,"PDBC48986","762541","Present"
-"NSC762542","","","","","","","","","","","","","","","","","","","","NSC762542","","COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C=O)C3=CC(=CC=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","PTTVMRANHIBXPY-UHFFFAOYSA-N","72374830",NA,"PDBC48987","762542","Present"
-"NSC762545","","","","","","","","","","","","","","","","","","","","NSC762545","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)Cl)OC","WECUEHYZAYOVMD-UHFFFAOYSA-N","155813083",NA,"PDBC48988","762545","Present"
-"NSC762555","","","","","","","","","","","","","","","","","","","","NSC762555","","CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)Cl)OC","CFZCFVPDVPAFDM-UHFFFAOYSA-N","155810023",NA,"PDBC48989","762555","Present"
-"NSC762557","","","","","","","","","","","","","","","","","","","","NSC762557","","CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)Cl)OC)C(=O)C","KKOLVCVXEFOETR-UHFFFAOYSA-N","155808269",NA,"PDBC48990","762557","Present"
-"NSC762559","","","","","","","","","","","","","","","","","","","","NSC762559","","COC1=C(C=CC(=C1)C2CC(=NN2C=O)C3=CC=CC=C3)OC4=C5C=CC(=CC5=NC=C4)Cl","GXRYJCFMPLUZIR-UHFFFAOYSA-N","155810020",NA,"PDBC48991","762559","Present"
-"NSC762564","","","","","","","","","","","","","","","","","","","","NSC762564","","CN1C2=C(N=C1OC3=C(C=C(C=C3)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC)N(C(=O)N(C2=O)C)C","XNVCNRYXMKBQNL-CSKARUKUSA-N","118731448",NA,"PDBC48992","762564","Present"
-"NSC762566","","","","","","","","","","","","","","","","","","","","NSC762566","","CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)Cl)OC)C=O","LFKFJQHGOCVMJZ-UHFFFAOYSA-N","155810024",NA,"PDBC48993","762566","Present"
-"NSC762583","","","","","","","","","","","","","","","","","","","","NSC762583","","CN(C)C1=NC2=CC(=NN2C(=N1)C3=CC=CS3)C4=CC=C(C=C4)Cl","BEJYOMNNIPAVNU-UHFFFAOYSA-N","155810019",NA,"PDBC48994","762583","Present"
-"NSC762610","","","","","","","","","","","","","","","","","","","","NSC762610","","CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC(=O)NC(=O)CCl","IKNMBXMBOZHCSB-PXIZRQDGSA-N","155811405",NA,"PDBC48995","762610","Present"
-"NSC762611","","","","","","","","","","","","","","","","","","","","NSC762611","","CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC(=O)NC(=O)CI","GYPXDJXHZHZMBP-PXIZRQDGSA-N","155813040",NA,"PDBC48996","762611","Present"
-"NSC762612","","","","","","","","","","","","","","","","","","","","NSC762612","","CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)N","LPIBIWBAKPODGP-WVBWZXASSA-N","155811407",NA,"PDBC48997","762612","Present"
-"NSC762696","","","","","","","","","","","","","","","","","","","","NSC762696","","CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)NCCCO","PWYWLCMHYGNVNI-UHFFFAOYSA-N","51138617",NA,"PDBC48998","762696","Present"
-"NSC762756","","","","","","","","","","","","","","","","","","","","NSC762756","","CC1=NN(C2=NC=C3C(=C12)C(=O)N(C3=O)CC4=CC=CC=C4)C5=CC=CC=C5","MCLPSOQKWSCSES-UHFFFAOYSA-N","66506251",NA,"PDBC48999","762756","Present"
-"NSC762763","","","","","","","","","","","","","","","","","","","","NSC762763","","CC1=NN(C2=C1N=C3C(=N2)C4=CC=CC=C4C(=O)C3=O)C5=CC=C(C=C5)Cl","HMIYKHHTESHGBU-UHFFFAOYSA-N","155816017",NA,"PDBC49000","762763","Present"
-"NSC762765","","","","","","","","","","","","","","","","","","","","NSC762765","","CC1=NN(C2=C1N=C3C(=N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl","GUTXFLUCKQBUPQ-UHFFFAOYSA-N","101584019",NA,"PDBC49001","762765","Present"
-"NSC762782","","","","","","","","","","","","","","","","","","","","NSC762782","","CN1CCC(CC1)C2=C(C=C(C(=C2OC)C(=O)C=CC3=C(C=C(C=C3OC)OC)OC)O)OC","DXOJEHVIHWEKEQ-BQYQJAHWSA-N","134266828",NA,"PDBC49002","762782","Present"
-"NSC762795","","","","","","","","","","","","","","","","","","","","NSC762795","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCOC3=CC4=CC=CC=C4C=C3C(=O)NC5=C(C=C(C=C5)Cl)O)OCCCN","AZHZVCGYOUJGQE-UHFFFAOYSA-N","71566397",NA,"PDBC49003","762795","Present"
-"NSC762805","","","","","","","","","","","","","","","","","","","","NSC762805","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C4=NC5=CC=CC=C5O4","LOTPSCLVDAQHBO-UHFFFAOYSA-N","155808139",NA,"PDBC49004","762805","Present"
-"NSC762858","","","","","","","","","","","","","","","","","","","","NSC762858","","CC1=C(SC2=C1C(=O)N(C3=NN=C(N23)SCC(=O)NC4=CC=C(C=C4)Cl)CC5=CC=CC=C5)C(=O)N","DTFQQHBBAOFPGJ-UHFFFAOYSA-N","155805059",NA,"PDBC49005","762858","Present"
-"NSC762864","","","","","","","","","","","","","","","","","","","","NSC762864","","CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=C(C(=C(S4)C(=O)N)C)C(=O)N3CC5=CC=CC=C5","SYPOBBPRBVALMZ-UHFFFAOYSA-N","155814470",NA,"PDBC49006","762864","Present"
-"NSC762870","","","","","","","","","","","","","","","","","","","","NSC762870","","CC1=C(SC2=C1C(=O)N(C3=NN=C(N23)S(=O)(=O)CC(=O)NC4=CC=C(C=C4)Cl)CC5=CC=CC=C5)C(=O)N","YLHZNDYRTDVLBB-UHFFFAOYSA-N","155806814",NA,"PDBC49007","762870","Present"
-"NSC762916","","","","","","","","","","","","","","","","","","","","NSC762916","","COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)C3=CC(=CC=C3)Cl","JWIQPEQCEQEAJS-UHFFFAOYSA-N","135276809",NA,"PDBC49008","762916","Present"
-"NSC762920","","","","","","","","","","","","","","","","","","","","NSC762920","","CC1=CC=C(O1)C2=NC3=C(C(=C(C(=O)N3N2)C#N)C4=CN(N=C4C5=CC=C(C=C5)OC)C6=CC(=CC=C6)Cl)C#N","PUDDBBKSWGAVNQ-UHFFFAOYSA-N","155815906",NA,"PDBC49009","762920","Present"
-"NSC762921","","","","","","","","","","","","","","","","","","","","NSC762921","","CC1=CC=C(C=C1)C2=NC3=C(C(=C(C(=O)N3N2)C#N)C4=CN(N=C4C5=CC=C(C=C5)OC)C6=CC(=CC=C6)Cl)C#N","ZRPMQBDKPHXLAJ-UHFFFAOYSA-N","155804986",NA,"PDBC49010","762921","Present"
-"NSC762927","","","","","","","","","","","","","","","","","","","","NSC762927","","COC1=CC=C(C=C1)C2=NN(C=C2C3=CC(=NO3)C4=CC=CS4)C5=CC(=CC=C5)Cl","ZAOOVZWLWLZFHR-UHFFFAOYSA-N","155809890",NA,"PDBC49011","762927","Present"
-"NSC762929","","","","","","","","","","","","","","","","","","","","NSC762929","","COC1=CC=C(C=C1)C2=NN(C=C2C3=NC(=S)NC(=C3)C4=CC=CS4)C5=CC(=CC=C5)Cl","PTMONEISCRBEBT-UHFFFAOYSA-N","132578591",NA,"PDBC49012","762929","Present"
-"NSC762930","","","","","","","","","","","","","","","","","","","","NSC762930","","COC1=CC=C(C=C1)C2=NN(C=C2C3=C(C(=O)NC(=N3)N)C#N)C4=CC(=CC=C4)Cl","JQONODMPMHHUBM-UHFFFAOYSA-N","137246628",NA,"PDBC49013","762930","Present"
-"NSC762932","","","","","","","","","","","","","","","","","","","","NSC762932","","COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)N3)C4=CC=C(C=C4)Cl)C5=CC(=CC=C5)Cl","WPSHKFWTVZEESB-QRVIBDJDSA-N","155806736",NA,"PDBC49014","762932","Present"
-"NSC762934","","","","","","","","","","","","","","","","","","","","NSC762934","","COC1=CC=C(C=C1)C2=NN(C=C2C3=C(C(=O)NC(=C3)C4=CC=CC=C4)C#N)C5=CC(=CC=C5)Cl","CICDTOAQDMCRCN-UHFFFAOYSA-N","155809889",NA,"PDBC49015","762934","Present"
-"NSC762936","","","","","","","","","","","","","","","","","","","","NSC762936","","COC1=CC=C(C=C1)C2=NN(C=C2C3=NC(=NC(=C3)C4=CC=CC=C4)N)C5=CC(=CC=C5)Cl","ZGPFRYVWHSYORM-UHFFFAOYSA-N","155806739",NA,"PDBC49016","762936","Present"
-"NSC762963","","","","","","","","","","","","","","","","","","","","NSC762963","","CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C","KDCSSVADTHDYGI-KWFVXTLTSA-N","71490871",NA,"PDBC49017","762963","Present"
-"NSC762986","","","","","","","","","","","","","","","","","","","","NSC762986","","COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=CC=C4)OC)OC","ZJMICCKLQXXPBO-UHFFFAOYSA-N","155806717",NA,"PDBC49018","762986","Present"
-"NSC762988","","","","","","","","","","","","","","","","","","","","NSC762988","","CC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3)SCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC","GIQRTMMDUQLNGE-UHFFFAOYSA-N","155809865",NA,"PDBC49019","762988","Present"
-"NSC763017","","","","","","","","","","","","","","","","","","","","NSC763017","","CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)F)C(=O)O","LLGYTLXTKQDECH-UHFFFAOYSA-N","1935732",NA,"PDBC49020","763017","Present"
-"NSC763019","","","","","","","","","","","","","","","","","","","","NSC763019","","COC1=CC=C(C=C1)N=NC(=C(C2=CC=C(C=C2)Cl)O)C(=O)C(F)(F)F","WNOFQIYYIZCNAX-HYBMSBHASA-N","155808088",NA,"PDBC49021","763019","Present"
-"NSC763118","","","","","","","","","","","","","","","","","","","","NSC763118","","CC1=CC(=CC=C1)CN(C)C2=CC(=C(C=C2)CO)Cl","UFFPEYTVZAVITG-UHFFFAOYSA-N","108293732",NA,"PDBC49022","763118","Present"
-"NSC763120","","","","","","","","","","","","","","","","","","","","NSC763120","","CCN(CC1=CC(=CC=C1)OC)C2=CC(=C(C=C2)CO)Cl","VQROWKDZHJIHOE-UHFFFAOYSA-N","155806744",NA,"PDBC49023","763120","Present"
-"NSC763121","","","","","","","","","","","","","","","","","","","","NSC763121","","CN(CC1=CC(=CC=C1)OC)C2=CC(=C(C=C2)CO)Cl","FOUQHLMDUOLQNJ-UHFFFAOYSA-N","108293743",NA,"PDBC49024","763121","Present"
-"NSC763122","","","","","","","","","","","","","","","","","","","","NSC763122","","CN(CC1=CC=C(C=C1)OC)C2=CC(=C(C=C2)CO)Cl","YKCLGWDMPYZFPW-UHFFFAOYSA-N","108293742",NA,"PDBC49025","763122","Present"
-"NSC763123","","","","","","","","","","","","","","","","","","","","NSC763123","","CCN(CC1=CC=C(C=C1)OC)C2=CC(=C(C=C2)CO)Cl","MJDUVNSLLCEHQW-UHFFFAOYSA-N","155814404",NA,"PDBC49026","763123","Present"
-"NSC763124","","","","","","","","","","","","","","","","","","","","NSC763124","","CC1=CC=C(C=C1)CN(C)C2=CC(=C(C=C2)CO)Cl","JBDKMUPCTRCTNN-UHFFFAOYSA-N","108293674",NA,"PDBC49027","763124","Present"
-"NSC763125","","","","","","","","","","","","","","","","","","","","NSC763125","","CCN(CC1=CC=C(C=C1)C)C2=CC(=C(C=C2)CO)Cl","TXCLFYOZAAOTDJ-UHFFFAOYSA-N","155815911",NA,"PDBC49028","763125","Present"
-"NSC763126","","","","","","","","","","","","","","","","","","","","NSC763126","","CN(CC1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)CO)Cl","HTILDAKBQPVGFE-UHFFFAOYSA-N","108293738",NA,"PDBC49029","763126","Present"
-"NSC763127","","","","","","","","","","","","","","","","","","","","NSC763127","","CCN(CC1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)CO)Cl","RQRMBLMJDQMNSA-UHFFFAOYSA-N","155815910",NA,"PDBC49030","763127","Present"
-"NSC763128","","","","","","","","","","","","","","","","","","","","NSC763128","","CN(CC1=CC(=CC=C1)F)C2=CC(=C(C=C2)CO)Cl","JOWIZHOHWLGUQP-UHFFFAOYSA-N","108293675",NA,"PDBC49031","763128","Present"
-"NSC763129","","","","","","","","","","","","","","","","","","","","NSC763129","","CCN(CC1=CC(=CC=C1)F)C2=CC(=C(C=C2)CO)Cl","UPYSUDKREHISHG-UHFFFAOYSA-N","155811300",NA,"PDBC49032","763129","Present"
-"NSC763130","","","","","","","","","","","","","","","","","","","","NSC763130","","CN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","ZUMYDPLMEADMSN-UHFFFAOYSA-N","108293735",NA,"PDBC49033","763130","Present"
-"NSC763132","","","","","","","","","","","","","","","","","","","","NSC763132","","CN(CC1=CC(=CC=C1)Cl)C2=CC(=C(C=C2)CO)Cl","GOAJSCITCYLUBX-UHFFFAOYSA-N","108293736",NA,"PDBC49034","763132","Present"
-"NSC763135","","","","","","","","","","","","","","","","","","","","NSC763135","","CCN(CC1=CC(=CC=C1)Cl)C2=CC(=C(C=C2)CO)Cl","VASOTQNLLMEUOK-UHFFFAOYSA-N","155806743",NA,"PDBC49035","763135","Present"
-"NSC763136","","","","","","","","","","","","","","","","","","","","NSC763136","","CCN(CC1=CC=CC(=C1)C)C2=CC(=C(C=C2)CO)Cl","KOYRYVNTHFMPFW-UHFFFAOYSA-N","155808122",NA,"PDBC49036","763136","Present"
-"NSC763186","","","","","","","","","","","","","","","","","","","","NSC763186","","COC1=CC=C(C=C1)C2=C(C(=NO2)N)C3=CC4=C(C(=C3)OC)OCO4","IKRQSCFDNOOBER-UHFFFAOYSA-N","51138522",NA,"PDBC49037","763186","Present"
-"NSC763187","","","","","","","","","","","","","","","","","","","","NSC763187","","COC1=CC2=C(C=C1)C(C3=C(N2)COC3=O)C4=CC(=C(C(=C4)OC)OC)OC","HJYWTNKSSXJHQY-UHFFFAOYSA-N","9821374",NA,"PDBC49038","763187","Present"
-"NSC763188","","","","","","","","","","","","","","","","","","","","NSC763188","","COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N","TWSVURCWPHWPRC-UHFFFAOYSA-N","3381736",NA,"PDBC49039","763188","Present"
-"NSC763193","","","","","","","","","","","","","","","","","","","","NSC763193","","COC1=CC=CC(=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N","IRKNJDSAWPLYSG-UHFFFAOYSA-N","2838911",NA,"PDBC49040","763193","Present"
-"NSC763196","","","","","","","","","","","","","","","","","","","","NSC763196","","COC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC","MZLUGYPKQSBGDQ-UHFFFAOYSA-N","10109587",NA,"PDBC49041","763196","Present"
-"NSC763197","","","","","","","","","","","","","","","","","","","","NSC763197","","COC1=CC=C(C=C1)C2=NNN=C2C3=CC(=C(C(=C3)OC)OC)OC","JHZMSGCUGQSNOA-UHFFFAOYSA-N","59430402",NA,"PDBC49042","763197","Present"
-"NSC763198","","","","","","","","","","","","","","","","","","","","NSC763198","","COC1=CC=C(C=C1)C2=NNN=C2C3=CC(=C4C(=C3OC)OCO4)OC","DGTARDXIKVVWRO-UHFFFAOYSA-N","73334660",NA,"PDBC49043","763198","Present"
-"NSC763231","","","","","","","","","","","","","","","","","","","","NSC763231","","CS(=O)(=O)C1=NC=CC(=N1)C2=C(N=C3N2C=CS3)C4=CC(=CC=C4)OCC5=CC=CC=C5","DQOWVAQFOQHAFL-UHFFFAOYSA-N","155804973",NA,"PDBC49044","763231","Present"
-"NSC763232","","","","","","","","","","","","","","","","","","","","NSC763232","","CS(=O)(=O)C1=NC=CC(=N1)C2=C(N=C3N2C=CS3)C4=CC(=CC=C4)OCC5=CC=C(C=C5)F","AWCIKMLGHHTGHO-UHFFFAOYSA-N","155811287",NA,"PDBC49045","763232","Present"
-"NSC763234","","","","","","","","","","","","","","","","","","","","NSC763234","","CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F","HEDABOPSTQINEM-UHFFFAOYSA-N","155811282",NA,"PDBC49046","763234","Present"
-"NSC763235","","","","","","","","","","","","","","","","","","","","NSC763235","","CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F","NDMIEBFJKNJNMK-UHFFFAOYSA-N","155812920",NA,"PDBC49047","763235","Present"
-"NSC763236","","","","","","","","","","","","","","","","","","","","NSC763236","","CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","JHLFWBZMEWIVII-UHFFFAOYSA-N","155812925",NA,"PDBC49048","763236","Present"
-"NSC763238","","","","","","","","","","","","","","","","","","","","NSC763238","","CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl","LFMQQHYOUYBLML-UHFFFAOYSA-N","155804969",NA,"PDBC49049","763238","Present"
-"NSC763241","","","","","","","","","","","","","","","","","","","","NSC763241","","CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)C4=C5C(=CC=C4)OCCO5","NSHKCPQNISOTNS-UHFFFAOYSA-N","155809873",NA,"PDBC49050","763241","Present"
-"NSC763252","","","","","","","","","","","","","","","","","","","","NSC763252","","CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl","PFIYEJKRYRGLHC-UHFFFAOYSA-N","137640849",NA,"PDBC49051","763252","Present"
-"NSC763253","","","","","","","","","","","","","","","","","","","","NSC763253","","CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F","KJVVJNXHKRXUIN-UHFFFAOYSA-N","137632207",NA,"PDBC49052","763253","Present"
-"NSC763255","","","","","","","","","","","","","","","","","","","","NSC763255","","CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","LTSSPZVYVIFFFL-UHFFFAOYSA-N","137661906",NA,"PDBC49053","763255","Present"
-"NSC763266","","","","","","","","","","","","","","","","","","","","NSC763266","","COC1=C(C(=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)C4=CC=C(C=C4)N)OC)OC","ICLWZACWSGXGSA-UHFFFAOYSA-N","86298116",NA,"PDBC49054","763266","Present"
-"NSC763277","","","","","","","","","","","","","","","","","","","","NSC763277","","COC1=C(C=C(C=C1)C=C2CCCC3=C2NC(=NC3C4=CC(=C(C=C4)OC)OC)N)OC","FVHHMVKWHZUZRD-FOWTUZBSSA-N","13170781",NA,"PDBC49055","763277","Present"
-"NSC763504","","","","","","","","","","","","","","","","","","","","NSC763504","","B(C1=CC(=CC=C1)C=CC(=O)C2=CC=CC(=C2)B(O)O)(O)O","WVNCAPQCXJYTCH-BQYQJAHWSA-N","155811301",NA,"PDBC49056","763504","Present"
-"NSC763544","","","","","","","","","","","","","","","","","","","","NSC763544","","CC1=CN2C(C3=C(C(=CC4=CC(=C(C(=C4)OC)OC)OC)CCC3)N=C2S1)C5=CC(=C(C(=C5)OC)OC)OC","LHKPFMURGBYLIS-YBFXNURJSA-N","76853563",NA,"PDBC49057","763544","Present"
-"NSC763582","","","","","","","","","","","","","","","","","","","","NSC763582","","CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC(=CC=C5)Cl","ZTQLYKASXIBMPR-UHFFFAOYSA-N","155815904",NA,"PDBC49058","763582","Present"
-"NSC763587","","","","","","","","","","","","","","","","","","","","NSC763587","","COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=N)C4=CC=CC=C4)N)C5=CC(=CC=C5)Cl","JWMHRHPOQBVLDD-YLOHPIGASA-N","135276800",NA,"PDBC49059","763587","Present"
-"NSC763728","","","","","","","","","","","","","","","","","","","","NSC763728","","CC1=NC2=CC(=C(C=C2C=C1OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl)O)O","AMBFCSUKZPQVKI-UHFFFAOYSA-N","137642370",NA,"PDBC49060","763728","Present"
-"NSC763729","","","","","","","","","","","","","","","","","","","","NSC763729","","CCCCCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C","PKKMUEANKWVMET-UNOMPAQXSA-N","136226140",NA,"PDBC49061","763729","Present"
-"NSC763730","","","","","","","","","","","","","","","","","","","","NSC763730","","CCCCCCCCCCCCCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C","QETUEBRDMOAQEI-OOAXWGSJSA-N","136226144",NA,"PDBC49062","763730","Present"
-"NSC763731","","","","","","","","","","","","","","","","","","","","NSC763731","","CCCCCCCCCCCCCCCCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C","ZJLYZHRDNXRHJR-WMMMYUQOSA-N","136226150",NA,"PDBC49063","763731","Present"
-"NSC763743","","","","","","","","","","","","","","","","","","","","NSC763743","","CC(C)CCNC(=O)C(CC(C)C)N1C=CC=C(C1=O)NC(=O)OCC=C","OCBADAHMNBDGEJ-QGZVFWFLSA-N","155811352",NA,"PDBC49064","763743","Present"
-"NSC763832","","","","","","","","","","","","","","","","","","","","NSC763832","","CC1=C(C2=C(N1)C=C(C=C2)F)C3=NC4=C5C=CC=NC5=C6C(=C4N3)C=CC=N6","ZBMZAZLIAFTXRO-UHFFFAOYSA-N","71263684",NA,"PDBC49065","763832","Present"
-"NSC763856","","","","","","","","","","","","","","","","","","","","NSC763856","","COC1=C(C(=CC(=C1)C2CC(=O)NC3=C2C=CC4=CC=CC=C43)Br)OC","WAWDHBJYONLCMT-UHFFFAOYSA-N","2891998",NA,"PDBC49066","763856","Present"
-"NSC763857","","","","","","","","","","","","","","","","","","","","NSC763857","","COC1=C(C(=CC(=C1)C2CC(=O)NC3=C2C=C(C4=CC=CC=C43)Br)Br)OC","VKFHFHGJICJWII-UHFFFAOYSA-N","3275692",NA,"PDBC49067","763857","Present"
-"NSC763863","","","","","","","","","","","","","","","","","","","","NSC763863","","COC1=CC=CC(=C1OC)C2CC(=O)NC3=C2C=C4CCCC4=C3","IUNDWRDFGZDBSG-UHFFFAOYSA-N","2939315",NA,"PDBC49068","763863","Present"
-"NSC764014","","","","","","","","","","","","","","","","","","","","NSC764014","","C1=COC(=C1)CCCN=C(N)N=C(N)N","UQKSPQKMDIKOHA-UHFFFAOYSA-N","155812955",NA,"PDBC49069","764014","Present"
-"NSC764110","","","","","","","","","","","","","","","","","","","","NSC764110","","CC1=C(NC(=C1C(=O)CCC(=O)OC2=CC3=C(C=C2)C4CCC5(C(C4CC3)CCC5=O)C)C)C=C6C(=CC(=N6)C7=CC=CN7)OC","JWHXHWRWDADAHV-FNTFXNTJSA-N","155813060",NA,"PDBC49070","764110","Present"
-"NSC764154","","","","","","","","","","","","","","","","","","","","NSC764154","","CC(C)(C)C1=C2C(NC3=C(C=CC(=C3)C(=O)OCC4=CC=CC=C4)NC2=NN1)C5=CC6=CC=CC=C6NC5=O","XOIHBSGAJIGHGT-UHFFFAOYSA-N","155808157",NA,"PDBC49071","764154","Present"
-"NSC764156","","","","","","","","","","","","","","","","","","","","NSC764156","","CC(C)(C)C1=C2C(NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)Cl)NC2=NN1)C5=CC6=CC=CC=C6NC5=O","TYJBFGBPBYNBTP-UHFFFAOYSA-N","155805011",NA,"PDBC49072","764156","Present"
-"NSC764162","","","","","","","","","","","","","","","","","","","","NSC764162","","CC(C)(C)C1=CC(=NN1)N2C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)Cl)N=C2C5=CC=C(C=C5)Cl","KOLHGIJBUWJVJF-UHFFFAOYSA-N","155806768",NA,"PDBC49073","764162","Present"
-"NSC764264","","","","","","","","","","","","","","","","","","","","NSC764264","","CC[Si](CC)(CC)OC1C(OC(C1O[Si](CC)(CC)CC)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC","MGUXLIWVZUSVQF-ZNEGPSOXSA-N","155805064",NA,"PDBC49074","764264","Present"
-"NSC764265","","","","","","","","","","","","","","","","","","","","NSC764265","","CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)N)COC(=O)NC(=O)CCl","WJBMTPVASDDXEX-KBAATXCXSA-N","155814481",NA,"PDBC49075","764265","Present"
-"NSC764266","","","","","","","","","","","","","","","","","","","","NSC764266","","CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)N)CNC(=O)NC(=O)CCl","YVNKQNSZXISWRN-KBAATXCXSA-N","155811408",NA,"PDBC49076","764266","Present"
-"NSC764269","","","","","","","","","","","","","","","","","","","","NSC764269","","CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC(=O)C(F)(F)F","ZWDADEGJJBWEME-KIPFHVTESA-N","155808236",NA,"PDBC49077","764269","Present"
-"NSC764270","","","","","","","","","","","","","","","","","","","","NSC764270","","CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC(=O)CF","OKWVDGGMHPOPRA-PXIZRQDGSA-N","155813042",NA,"PDBC49078","764270","Present"
-"NSC764391","","","","","","","","","","","","","","","","","","","","NSC764391","","C1CN(CCN1C2=CC=CC=N2)C3=NC(=NC(=N3)NCCOCCOCCN)C4=CC=C(C=C4)Cl","NBXOWQUIHLKSPC-UHFFFAOYSA-N","23984299",NA,"PDBC49079","764391","Present"
-"NSC764392","","","","","","","","","","","","","","","","","","","","NSC764392","","C1CN(CCN1C2=CC=CC=N2)C3=NC(=NC(=N3)NCCOCCOCCN)C4=CC=CC=C4","OXZXRWNWTBKQAO-UHFFFAOYSA-N","23844778",NA,"PDBC49080","764392","Present"
-"NSC764393","","","","","","","","","","","","","","","","","","","","NSC764393","","C1CC(=O)N(C1)CCCNC2=NC(=NC(=N2)CC3=CC=CC=C3)NCCOCCOCCN","SWNOTVHBCZTPON-UHFFFAOYSA-N","24175841",NA,"PDBC49081","764393","Present"
-"NSC764405","","","","","","","","","","","","","","","","","","","","NSC764405","","COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)C=CC=O)C4=CC=CC=C4","UKIUVCAVTNHSMQ-VMPITWQZSA-N","90682754",NA,"PDBC49082","764405","Present"
-"NSC764407","","","","","","","","","","","","","","","","","","","","NSC764407","","COC1=CC=C(C=C1)C2=CC(=O)C3=C(C4=C(C(=C3O2)C=CC=O)OC=C4)OC","NWWCCNDERPDVLQ-ONEGZZNKSA-N","90682755",NA,"PDBC49083","764407","Present"
-"NSC764457","","","","","","","","","","","","","","","","","","","","NSC764457","","C1C(C2=C(C(=NS2)C3=CC=C(C=C3)Cl)NC1=O)C4=CSC=C4","GMNXZKPKGUCKDF-UHFFFAOYSA-N","42647934",NA,"PDBC49084","764457","Present"
-"NSC764458","","","","","","","","","","","","","","","","","","","","NSC764458","","COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC(=CC=C4)OC","UQSDAQCVCOBHKA-UHFFFAOYSA-N","42648102",NA,"PDBC49085","764458","Present"
-"NSC764459","","","","","","","","","","","","","","","","","","","","NSC764459","","COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CSC=C4","XLOUBGPMIJYYDY-UHFFFAOYSA-N","42648106",NA,"PDBC49086","764459","Present"
-"NSC764463","","","","","","","","","","","","","","","","","","","","NSC764463","","COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC5=C(C=C4)OCCO5","GJRVMCMIGJHXDQ-UHFFFAOYSA-N","46949259",NA,"PDBC49087","764463","Present"
-"NSC764530","","","","","","","","","","","","","","","","","","","","NSC764530","","CC1C(=O)C2=C(NC(=N1)C3=CC=C(C=C3)Br)N=C4N2C=CC=C4","ANUMJYAWAGPICH-JTQLQIEISA-N","57381844",NA,"PDBC49088","764530","Present"
-"NSC764548","","","","","","","","","","","","","","","","","","","","NSC764548","","COC1=CC=C(C=C1)C2=NC(C(=O)NC3=C2SC=C3)CC4=CC=CC=C4","MIZQYZYGYAPIHP-SFHVURJKSA-N","44204066",NA,"PDBC49089","764548","Present"
-"NSC764763","","","","","","","","","","","","","","","","","","","","NSC764763","","","","",NA,"PDBC49090","764763","Present"
-"NSC764825","","","","","","","","","","","","","","","","","","","","NSC764825","","CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)C","FVVRAXOVEOAPPK-UHFFFAOYSA-N","155806740",NA,"PDBC49091","764825","Present"
-"NSC764826","","","","","","","","","","","","","","","","","","","","NSC764826","","CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)F","AHPOYWJTQPTVLM-UHFFFAOYSA-N","155808119",NA,"PDBC49092","764826","Present"
-"NSC764827","","","","","","","","","","","","","","","","","","","","NSC764827","","CCCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","AFFZPZDRKPVQEQ-UHFFFAOYSA-N","155808118",NA,"PDBC49093","764827","Present"
-"NSC764828","","","","","","","","","","","","","","","","","","","","NSC764828","","CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)OC","FPWFIIIWULUMPL-UHFFFAOYSA-N","155811295",NA,"PDBC49094","764828","Present"
-"NSC764869","","","","","","","","","","","","","","","","","","","","NSC764869","","CC1=C(N2C=CSC2=N1)C3=CSC(=N3)NC4=CC=CC=C4Cl","CJYVGQRPZMLYHX-UHFFFAOYSA-N","1255043",NA,"PDBC49095","764869","Present"
-"NSC764879","","","","","","","","","","","","","","","","","","","","NSC764879","","COC1=C(C=CC(=C1)C=CC2=NC(=O)NC(=C2)C(F)(F)F)OCC3=CC=CC=C3F","RUPJKAAUKLCARO-SOFGYWHQSA-N","5730437",NA,"PDBC49096","764879","Present"
-"NSC765317","","","","","","","","","","","","","","","","","","","","NSC765317","","CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Cl)Cl)F)C(=O)O","MIZPLCXIQXTAKP-UHFFFAOYSA-N","56931708",NA,"PDBC49097","765317","Present"
-"NSC765319","","","","","","","","","","","","","","","","","","","","NSC765319","","C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl)F)C(=O)O","SQSADNHDVFGNNH-UHFFFAOYSA-N","56931849",NA,"PDBC49098","765319","Present"
-"NSC765320","","","","","","","","","","","","","","","","","","","","NSC765320","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F)C","CNAXZGASHRRRTD-UHFFFAOYSA-N","22277647",NA,"PDBC49099","765320","Present"
-"NSC765322","","","","","","","","","","","","","","","","","","","","NSC765322","","CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54)F)C(=O)O","AMQFSJVGZQZFKI-UHFFFAOYSA-N","56931572",NA,"PDBC49100","765322","Present"
-"NSC765339","","","","","","","","","","","","","","","","","","","","NSC765339","","C1=NC2=C(C(=O)N1)N=NN2C3C(C(C(O3)CO)O)O","NNCMCLOTZNUFJG-UUOKFMHZSA-N","135492361",NA,"PDBC49101","765339","Present"
-"NSC765371","","","","","","","","","","","","","","","","","","","","NSC765371","","CC1=CC(=C(C=C1)C)C2=NN(C(C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)S(=O)(=O)NC(=O)NCC5=CC=CC=C5","KIWPEHGELAJDFS-UHFFFAOYSA-N","86276269",NA,"PDBC49102","765371","Present"
-"NSC765374","","","","","","","","","","","","","","","","","","","","NSC765374","","CC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)S(=O)(=O)NC(=O)NCC5=CC=CC=C5)C","ZECOBHJVXYFHKU-UHFFFAOYSA-N","86276277",NA,"PDBC49103","765374","Present"
-"NSC765376","","","","","","","","","","","","","","","","","","","","NSC765376","","CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(CC(=N2)C3=C(C=CC(=C3)C)C)C4=CC(=C(C(=C4)OC)OC)OC","WVCKLXCKSZPYDM-UHFFFAOYSA-N","86276268",NA,"PDBC49104","765376","Present"
-"NSC765378","","","","","","","","","","","","","","","","","","","","NSC765378","","CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(CC(=N2)C3=C(C=C(C=C3)C)C)C4=CC=C(C=C4)N(C)C","FKPZJZHWSVZGPH-UHFFFAOYSA-N","86276267",NA,"PDBC49105","765378","Present"
-"NSC765405","","","","","","","","","","","","","","","","","","","","NSC765405","","CC1(CCC2C(=O)C1(C3=C4C(C2(C)C)C(=O)N(C4=CC=C3)C)[N+]#[C-])C","FTSYTCIXYSIFQL-CQURBHOASA-N","155809937",NA,"PDBC49106","765405","Present"
-"NSC765406","","","","","","","","","","","","","","","","","","","","NSC765406","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(C)(C(CC(C)C)N)O)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O","VBLTYVJENWMRPE-XXVWQQKBSA-N","155813026",NA,"PDBC49107","765406","Present"
-"NSC765428","","","","","","","","","","","","","","","","","","","","NSC765428","","CC1=NC(C2=C(N1)C(=CC3=CC(=C(C=C3)OC)OC)CCC2)C4=CC(=C(C=C4)OC)OC","WUGNQYFVNYBVMG-QGOAFFKASA-N","155806911",NA,"PDBC49108","765428","Present"
-"NSC765610","","","","","","","","","","","","","","","","","","","","NSC765610","","CCN(CC1=CC=C(S1)Cl)C2=CC(=C(C=C2)CO)Cl","AUPLXZOLWGDBOW-UHFFFAOYSA-N","155804989",NA,"PDBC49109","765610","Present"
-"NSC765611","","","","","","","","","","","","","","","","","","","","NSC765611","","CCN(CC1=C(C=C(C=C1)F)F)C2=CC(=C(C=C2)CO)Cl","PZXOAONAGWQQMV-UHFFFAOYSA-N","155811299",NA,"PDBC49110","765611","Present"
-"NSC765612","","","","","","","","","","","","","","","","","","","","NSC765612","","CCN(CC1=CC(=C(C=C1)F)F)C2=CC(=C(C=C2)CO)Cl","KIMHOTDPINOQSY-UHFFFAOYSA-N","155809896",NA,"PDBC49111","765612","Present"
-"NSC765613","","","","","","","","","","","","","","","","","","","","NSC765613","","CCN(CC1=CC=CC=N1)C2=CC(=C(C=C2)CO)Cl","NFWZACKJNXTRIV-UHFFFAOYSA-N","108293962",NA,"PDBC49112","765613","Present"
-"NSC765614","","","","","","","","","","","","","","","","","","","","NSC765614","","CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)C(F)(F)F","QVQHNPGQRSHZIL-UHFFFAOYSA-N","155808121",NA,"PDBC49113","765614","Present"
-"NSC765615","","","","","","","","","","","","","","","","","","","","NSC765615","","CCN(CC1=CN=CC=C1)C2=CC(=C(C=C2)CO)Cl","ADSVWIDBVMLPLE-UHFFFAOYSA-N","155811296",NA,"PDBC49114","765615","Present"
-"NSC765616","","","","","","","","","","","","","","","","","","","","NSC765616","","CCN(CC1=CC=NC=C1)C2=CC(=C(C=C2)CO)Cl","UHKMTUSGNSCLPD-UHFFFAOYSA-N","108293770",NA,"PDBC49115","765616","Present"
-"NSC765617","","","","","","","","","","","","","","","","","","","","NSC765617","","CCCCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","SWDLIKPUOBEGKU-UHFFFAOYSA-N","155811298",NA,"PDBC49116","765617","Present"
-"NSC765618","","","","","","","","","","","","","","","","","","","","NSC765618","","C1CC1CN(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","MYXQUZQVUSLLDK-UHFFFAOYSA-N","155811297",NA,"PDBC49117","765618","Present"
-"NSC765619","","","","","","","","","","","","","","","","","","","","NSC765619","","COCCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","KFRUSFCNPGBUCB-UHFFFAOYSA-N","155808120",NA,"PDBC49118","765619","Present"
-"NSC765662","","","","","","","","","","","","","","","","","","","","NSC765662","","CCN(CC1=C(C(=CC=C1)F)F)C2=CC(=C(C=C2)CO)Cl","QBSLTVBXAQTGAH-UHFFFAOYSA-N","155809895",NA,"PDBC49119","765662","Present"
-"NSC765663","","","","","","","","","","","","","","","","","","","","NSC765663","","CCN(CC1=C(C=CC(=C1)F)F)C2=CC(=C(C=C2)CO)Cl","PMGJIRVEXVITHE-UHFFFAOYSA-N","155804988",NA,"PDBC49120","765663","Present"
-"NSC765664","","","","","","","","","","","","","","","","","","","","NSC765664","","CCN(CC)CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","VCDFUHOXLHPLRV-UHFFFAOYSA-N","155806741",NA,"PDBC49121","765664","Present"
-"NSC765665","","","","","","","","","","","","","","","","","","","","NSC765665","","C1CCN(C1)CCN(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","GFGYQMPZTCDBMD-UHFFFAOYSA-N","155814403",NA,"PDBC49122","765665","Present"
-"NSC765666","","","","","","","","","","","","","","","","","","","","NSC765666","","CCN(CC1=C(C=CC=C1F)F)C2=CC(=C(C=C2)CO)Cl","RBFNSLPAYFWGEZ-UHFFFAOYSA-N","155812947",NA,"PDBC49123","765666","Present"
-"NSC765667","","","","","","","","","","","","","","","","","","","","NSC765667","","CCN(CC1=CC(=CC(=C1)F)F)C2=CC(=C(C=C2)CO)Cl","NFVFQYXTSVUKDH-UHFFFAOYSA-N","155815909",NA,"PDBC49124","765667","Present"
-"NSC765668","","","","","","","","","","","","","","","","","","","","NSC765668","","C1CC(C1)CN(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","YXKDUQGGIYYKFV-UHFFFAOYSA-N","155812946",NA,"PDBC49125","765668","Present"
-"NSC765669","","","","","","","","","","","","","","","","","","","","NSC765669","","C1=CC(=CC=C1CN(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl)F","GDFKTGXODPXDMS-UHFFFAOYSA-N","155814402",NA,"PDBC49126","765669","Present"
-"NSC765670","","","","","","","","","","","","","","","","","","","","NSC765670","","C1CC(C1)N(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","ARZUJXSEWMMRIU-UHFFFAOYSA-N","155804990",NA,"PDBC49127","765670","Present"
-"NSC765671","","","","","","","","","","","","","","","","","","","","NSC765671","","CC(C)N(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","DNYTXNWSYLOTJU-UHFFFAOYSA-N","155812945",NA,"PDBC49128","765671","Present"
-"NSC765673","","","","","","","","","","","","","","","","","","","","NSC765673","","CCCCCCNC(=O)C1=C(OC(=N1)C2=CC=CC=C2)CC3=CC=C(C=C3)OP(=O)(O)O","RPJSTALJIXXUJK-UHFFFAOYSA-N","67387307",NA,"PDBC49129","765673","Present"
-"NSC765677","","","","","","","","","","","","","","","","","","","","NSC765677","","","","",NA,"PDBC49130","765677","Present"
-"NSC765699","","","","","","","","","","","","","","","","","","","","NSC765699","","C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)C(F)(F)F)C4=NON=C4N","JDOHQJAEXBDMOS-UHFFFAOYSA-N","1149503",NA,"PDBC49131","765699","Present"
-"NSC765700","","","","","","","","","","","","","","","","","","","","NSC765700","","C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=CC=C3Cl)C4=NON=C4N","WFXICEVOMNRSBI-UHFFFAOYSA-N","1006981",NA,"PDBC49132","765700","Present"
-"NSC765712","","","","","","","","","","","","","","","","","","","","NSC765712","","C1=CC=C(C=C1)C2=CN3C=C(SC3=N2)CC4=C(C(=CC=C4)Cl)Cl","GMQKXARUMWQCPE-UHFFFAOYSA-N","1515323",NA,"PDBC49133","765712","Present"
-"NSC765715","","","","","","","","","","","","","","","","","","","","NSC765715","","C1=CC=C(C=C1)C2=CN3C=C(SC3=N2)CC4=CC(=CC=C4)Cl","WAJLRZOYVZSWAO-UHFFFAOYSA-N","752059",NA,"PDBC49134","765715","Present"
-"NSC765718","","","","","","","","","","","","","","","","","","","","NSC765718","","CC1=NN(C(=C1C2=CC=C(C=C2)Cl)N)C3=NC4=CC=CC=C4N3","UPKMMWQBGWXLHN-UHFFFAOYSA-N","718013",NA,"PDBC49135","765718","Present"
-"NSC765722","","","","","","","","","","","","","","","","","","","","NSC765722","","C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N)F","KKRITRGZHRKHJY-UHFFFAOYSA-N","753157",NA,"PDBC49136","765722","Present"
-"NSC765733","","","","","","","","","","","","","","","","","","","","NSC765733","","CC(=O)C1=NC2=CC=CC=C2N1CCN3CCN(CC3)C","SPTUSWZTCZMESC-UHFFFAOYSA-N","155810080",NA,"PDBC49137","765733","Present"
-"NSC765735","","","","","","","","","","","","","","","","","","","","NSC765735","","C1=CC=C(C(=C1)C2=CC(=NC(=N2)N)C3=C(C=C(C=C3)Cl)Cl)Cl","ZMWJJRKYMQJYCG-UHFFFAOYSA-N","75359558",NA,"PDBC49138","765735","Present"
-"NSC765764","","","","","","","","","","","","","","","","","","","","NSC765764","","CC1=NN(C2=C1C(=C)C3CC4(N2C)CC5(CC4C3(C6=C(N5C)N(N=C6C)C7=CC=C(C=C7)C#CCOC8C(C(C(C(O8)CO)O)O)O)C)C)C9=CC=C(C=C9)C#CCOC1C(C(C(C(O1)CO)O)O)O","WYBNKNOCIIMLOM-NLDXQGRPSA-N","155811360",NA,"PDBC49139","765764","Present"
-"NSC765828","","","","","","","","","","","","","","","","","","","","NSC765828","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=NN2)C3=CC4=C(C=C3)OCO4)OC","NDQVYEKFEYSRCT-AATRIKPKSA-N","117928401",NA,"PDBC49140","765828","Present"
-"NSC765884","","","","","","","","","","","","","","","","","","","","NSC765884","","CN1[CH-]N(C=C1)CC2=CN=C(C=C2)C3=CC=CC=N3.CN1[CH-]N(C=C1)CC2=CN=C(C=C2)C3=CC=CC=N3.[Au+3]","CTGRSNRLENPMHX-UHFFFAOYSA-N","155809999",NA,"PDBC49141","765884","Present"
-"NSC765885","","","","","","","","","","","","","","","","","","","","NSC765885","","","","",NA,"PDBC49142","765885","Present"
-"NSC766053","","","","","","","","","","","","","","","","","","","","NSC766053","","COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl)N5CCOCC5","JELWGCYPUDLHJQ-UHFFFAOYSA-N","71598367",NA,"PDBC49143","766053","Present"
-"NSC766054","","","","","","","","","","","","","","","","","","","","NSC766054","","CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC(=CC(=C3)F)F)C(=O)C(=CC4=CC(=CC(=C4)F)F)C2","VEOCDYGHNCQFKS-UPICDLATSA-N","71721526",NA,"PDBC49144","766054","Present"
-"NSC766055","","","","","","","","","","","","","","","","","","","","NSC766055","","C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","SPLGVTDHXBINID-UHFFFAOYSA-N","71598364",NA,"PDBC49145","766055","Present"
-"NSC766073","","","","","","","","","","","","","","","","","","","","NSC766073","","CCSC1=NN=C(N1C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)O","OTWVUOMBIOUDPX-UHFFFAOYSA-N","155815983",NA,"PDBC49146","766073","Present"
-"NSC766074","","","","","","","","","","","","","","","","","","","","NSC766074","","CCSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C=C3)O","YEVPZYZJQIOHIF-UHFFFAOYSA-N","135981339",NA,"PDBC49147","766074","Present"
-"NSC766076","","","","","","","","","","","","","","","","","","","","NSC766076","","CC(=O)N1C(OC(=N1)C2=C(C3=CC=CC=C3C=C2)OC(=O)C)C4=C(C=C(C=C4)OC(=O)C)OC(=O)C","LBSUTGBILYEEBF-UHFFFAOYSA-N","155806817",NA,"PDBC49148","766076","Present"
-"NSC766121","","","","","","","","","","","","","","","","","","","","NSC766121","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)Cl","SPFUMQIYKBQJSC-UHFFFAOYSA-N","71739569",NA,"PDBC49149","766121","Present"
-"NSC766122","","","","","","","","","","","","","","","","","","","","NSC766122","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","PBHHNPADCVUAJW-UHFFFAOYSA-N","71739571",NA,"PDBC49150","766122","Present"
-"NSC766124","","","","","","","","","","","","","","","","","","","","NSC766124","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)Cl","KJJFHHZWHXEKEA-UHFFFAOYSA-N","71739707",NA,"PDBC49151","766124","Present"
-"NSC766125","","","","","","","","","","","","","","","","","","","","NSC766125","","C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)O)C4=CC=NC=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","NCAOISCQJZUYIU-UHFFFAOYSA-N","71739839",NA,"PDBC49152","766125","Present"
-"NSC766126","","","","","","","","","","","","","","","","","","","","NSC766126","","C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5)C(F)(F)F","HMZVXEPIWCERKW-UHFFFAOYSA-N","71739837",NA,"PDBC49153","766126","Present"
-"NSC766129","","","","","","","","","","","","","","","","","","","","NSC766129","","C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=C(C(=N4)C5=CC(=C(C=C5)Cl)O)C6=CC=NC=C6)C(F)(F)F","XGEXNJLMBQAOEX-UHFFFAOYSA-N","71739967",NA,"PDBC49154","766129","Present"
-"NSC766130","","","","","","","","","","","","","","","","","","","","NSC766130","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)Cl","YGSBVQPQFQEYSR-UHFFFAOYSA-N","71739570",NA,"PDBC49155","766130","Present"
-"NSC766131","","","","","","","","","","","","","","","","","","","","NSC766131","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl","BMOBWMUJOHKEJL-UHFFFAOYSA-N","71739572",NA,"PDBC49156","766131","Present"
-"NSC766132","","","","","","","","","","","","","","","","","","","","NSC766132","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC=CC=C5)Cl","NHSFILSFIDLRNH-UHFFFAOYSA-N","71739573",NA,"PDBC49157","766132","Present"
-"NSC766133","","","","","","","","","","","","","","","","","","","","NSC766133","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)N6CCOCC6)C(F)(F)F)Cl","KDESCVAKXJMELW-UHFFFAOYSA-N","71739709",NA,"PDBC49158","766133","Present"
-"NSC766134","","","","","","","","","","","","","","","","","","","","NSC766134","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","RAYZPAZGZSNIPK-UHFFFAOYSA-N","71739708",NA,"PDBC49159","766134","Present"
-"NSC766135","","","","","","","","","","","","","","","","","","","","NSC766135","","C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)O)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","ZOOITGLKRZNSBM-UHFFFAOYSA-N","71739838",NA,"PDBC49160","766135","Present"
-"NSC766136","","","","","","","","","","","","","","","","","","","","NSC766136","","C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)O)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl","QUTMLLZVTGYXRA-UHFFFAOYSA-N","71739836",NA,"PDBC49161","766136","Present"
-"NSC766216","","","","","","","","","","","","","","","","","","","","NSC766216","","C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1C(=S)NC4=CC=CC=C4","GDDMAHMUOIYBJS-TVGQLCNQSA-N","155806825",NA,"PDBC49162","766216","Present"
-"NSC766217","","","","","","","","","","","","","","","","","","","","NSC766217","","C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1CCC#N","HQHZOUOLZGFIHK-MGYAYREDSA-N","155811411",NA,"PDBC49163","766217","Present"
-"NSC766218","","","","","","","","","","","","","","","","","","","","NSC766218","","C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1C(=O)C4=CC=CC=C4","HPWIUPDBNAWJNU-BILXGNRESA-N","155813047",NA,"PDBC49164","766218","Present"
-"NSC766219","","","","","","","","","","","","","","","","","","","","NSC766219","","CC(=O)N1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","ZJHQDQWSXZNXES-ICFDZUSXSA-N","86582879",NA,"PDBC49165","766219","Present"
-"NSC766220","","","","","","","","","","","","","","","","","","","","NSC766220","","C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1C(=O)C4=CC=CC=C4","YUEJRKCBKXLZQM-BILXGNRESA-N","155808244",NA,"PDBC49166","766220","Present"
-"NSC766221","","","","","","","","","","","","","","","","","","","","NSC766221","","C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1C(=O)C4=CC=CC=C4F","FRJYPPIYRCIWOW-LRVMPXQBSA-N","155809981",NA,"PDBC49167","766221","Present"
-"NSC766223","","","","","","","","","","","","","","","","","","","","NSC766223","","C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1C(=O)C4=CC=C(C=C4)[N+](=O)[O-]","YYOODNUCWXMAIP-IWXNDQKYSA-N","155815992",NA,"PDBC49168","766223","Present"
-"NSC766226","","","","","","","","","","","","","","","","","","","","NSC766226","","COC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)OC)C2=O)C(=O)C4=CC=CC=C4F","SZMMGLXYAJPNFV-KBNZVFGVSA-N","155811413",NA,"PDBC49169","766226","Present"
-"NSC766227","","","","","","","","","","","","","","","","","","","","NSC766227","","C1C(=CC2=CC=C(C=C2)Br)C(=O)C(=CC3=CC=C(C=C3)Br)CN1C(=O)C4=CC=CC=C4F","MGIPBRSYDUORSY-LRVMPXQBSA-N","155814488",NA,"PDBC49170","766227","Present"
-"NSC766228","","","","","","","","","","","","","","","","","","","","NSC766228","","C1C(=CC2=CC=C(C=C2)Br)C(=O)C(=CC3=CC=C(C=C3)Br)CN1CCC#N","ILNGZMZOCQKUCW-MGYAYREDSA-N","155811414",NA,"PDBC49171","766228","Present"
-"NSC766229","","","","","","","","","","","","","","","","","","","","NSC766229","","COC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)OC)C2=O)CCC#N","RCJZBHXOCVBCHG-TVGQLCNQSA-N","155809984",NA,"PDBC49172","766229","Present"
-"NSC766230","","","","","","","","","","","","","","","","","","","","NSC766230","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C4=CC=CC=C4F","BXRRWFJXZBOBNU-KBNZVFGVSA-N","155806827",NA,"PDBC49173","766230","Present"
-"NSC766231","","","","","","","","","","","","","","","","","","","","NSC766231","","CC1=CC=C(C=C1)C(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2","GTQBPOZSVILDMN-DRPBVWSQSA-N","155809983",NA,"PDBC49174","766231","Present"
-"NSC766239","","","","","","","","","","","","","","","","","","","","NSC766239","","CCOC(=O)N1CC(=CC2=CC=C(C=C2)OC)C(=O)C(=CC3=CC=C(C=C3)OC)C1","LVBGFKBJTWSYKK-LRVMPXQBSA-N","7947368",NA,"PDBC49175","766239","Present"
-"NSC766240","","","","","","","","","","","","","","","","","","","","NSC766240","","CCOC(=O)N1CC(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)C1","JWGWIUNXIDRJCD-MJZABRMRSA-N","155814485",NA,"PDBC49176","766240","Present"
-"NSC766241","","","","","","","","","","","","","","","","","","","","NSC766241","","CCOC(=O)N1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","UWMZCLXPMAEBMW-MJZABRMRSA-N","2374853",NA,"PDBC49177","766241","Present"
-"NSC766243","","","","","","","","","","","","","","","","","","","","NSC766243","","CCC(=O)N1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","LWTLJVORPZXCFI-MJZABRMRSA-N","155808243",NA,"PDBC49178","766243","Present"
-"NSC766244","","","","","","","","","","","","","","","","","","","","NSC766244","","CCC(=O)N1CC(=CC2=CC=C(C=C2)Br)C(=O)C(=CC3=CC=C(C=C3)Br)C1","DFBZUNQYQDFHPA-MJZABRMRSA-N","155811412",NA,"PDBC49179","766244","Present"
-"NSC766245","","","","","","","","","","","","","","","","","","","","NSC766245","","CCC(=O)N1CC(=CC2=CC=C(C=C2)OC)C(=O)C(=CC3=CC=C(C=C3)OC)C1","ACXAATZQMKBLOK-LRVMPXQBSA-N","49148243",NA,"PDBC49180","766245","Present"
-"NSC766247","","","","","","","","","","","","","","","","","","","","NSC766247","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1CCC#N","RGACXCWHBHTBRS-TVGQLCNQSA-N","155813046",NA,"PDBC49181","766247","Present"
-"NSC766257","","","","","","","","","","","","","","","","","","","","NSC766257","","CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC=C(C=C2)OC(=O)CCC(=O)C3=C(NC(=C3C)C=C4C(=CC(=N4)C5=CC=CN5)OC)C)C6=CC=CC=C6","UXGLISHWPXWZMO-SQPLXQRVSA-N","136252681",NA,"PDBC49182","766257","Present"
-"NSC766258","","","","","","","","","","","","","","","","","","","","NSC766258","","CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC=C(C=C2)OC(=O)CCCCC(=O)C3=C(NC(=C3C)C=C4C(=CC(=N4)C5=CC=CN5)OC)C)C6=CC=CC=C6","WTPOMXGOMUGZLF-ICGMOWFVSA-N","136252682",NA,"PDBC49183","766258","Present"
-"NSC766259","","","","","","","","","","","","","","","","","","","","NSC766259","","CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC=C(C=C2)OC(=O)CCCCCCCCC(=O)C3=C(NC(=C3C)C=C4C(=CC(=N4)C5=CC=CN5)OC)C)C6=CC=CC=C6","NVHRGSIHAHFMNO-KCUXVLPESA-N","136252685",NA,"PDBC49184","766259","Present"
-"NSC766272","","","","","","","","","","","","","","","","","","","","NSC766272","","CC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3)SCCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC","RPLDKGCGKKOXAN-UHFFFAOYSA-N","155809866",NA,"PDBC49185","766272","Present"
-"NSC766289","","","","","","","","","","","","","","","","","","","","NSC766289","","CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=N3)NC4=CC(=C(C(=C4)OC)OC)OC)C","WAZRETDRHCBWER-UHFFFAOYSA-N","117984493",NA,"PDBC49186","766289","Present"
-"NSC766292","","","","","","","","","","","","","","","","","","","","NSC766292","","CCC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)F","XZUZJWQEXZVERE-UHFFFAOYSA-N","1505214",NA,"PDBC49187","766292","Present"
-"NSC766294","","","","","","","","","","","","","","","","","","","","NSC766294","","COC1=CC=CC(=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N","ZTQIQQGRCNJUPF-UHFFFAOYSA-N","1506381",NA,"PDBC49188","766294","Present"
-"NSC766298","","","","","","","","","","","","","","","","","","","","NSC766298","","CC1=CC(=NC2=C1C(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N)C","YJFQYBYHLJHANF-UHFFFAOYSA-N","1508792",NA,"PDBC49189","766298","Present"
-"NSC766350","","","","","","","","","","","","","","","","","","","","NSC766350","","COC1=CC=C(C=C1)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N","AUEPDOJGXYFNKM-UHFFFAOYSA-N","155815988",NA,"PDBC49190","766350","Present"
-"NSC766397","","","","","","","","","","","","","","","","","","","","NSC766397","","CCN(CCC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","HAZVZBHPOPJKCC-UHFFFAOYSA-N","155812950",NA,"PDBC49191","766397","Present"
-"NSC766402","","","","","","","","","","","","","","","","","","","","NSC766402","","C1CN(CC2=C1C=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","BIRNZLVBKNNATC-UHFFFAOYSA-N","155809894",NA,"PDBC49192","766402","Present"
-"NSC766403","","","","","","","","","","","","","","","","","","","","NSC766403","","CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C(=C2)Cl)CO)Cl","NFLVXOJIRFQTJJ-UHFFFAOYSA-N","155809893",NA,"PDBC49193","766403","Present"
-"NSC766404","","","","","","","","","","","","","","","","","","","","NSC766404","","CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Br","SSTIWWIFORTPAO-UHFFFAOYSA-N","155812949",NA,"PDBC49194","766404","Present"
-"NSC766407","","","","","","","","","","","","","","","","","","","","NSC766407","","C1CN(CC2=C1C=CC(=C2)F)C3=CC(=C(C=C3)CO)Cl","WVWNUWHOQHSGQL-UHFFFAOYSA-N","155812948",NA,"PDBC49195","766407","Present"
-"NSC766408","","","","","","","","","","","","","","","","","","","","NSC766408","","CC(C)N(CC1=C(C=CC=C1F)F)C2=CC(=C(C=C2)CO)Cl","BMXJTDGSEHGPSW-UHFFFAOYSA-N","155806742",NA,"PDBC49196","766408","Present"
-"NSC766411","","","","","","","","","","","","","","","","","","","","NSC766411","","CC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl","HKNNPGWJKJDXCN-UHFFFAOYSA-N","27509345",NA,"PDBC49197","766411","Present"
-"NSC766414","","","","","","","","","","","","","","","","","","","","NSC766414","","CC1=CC(=CC(=C1)NC2=CC(=NC3=NC(=NN23)C(F)(F)F)C)C","OINUBRUVZASSAQ-UHFFFAOYSA-N","24219693",NA,"PDBC49198","766414","Present"
-"NSC766417","","","","","","","","","","","","","","","","","","","","NSC766417","","CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C3C(=O)N(C(=NC4=CC=CC=C4)S3)C5CCCC5","DHRLFEJASBKCIX-YMTQWUKOSA-N","24214228",NA,"PDBC49199","766417","Present"
-"NSC766423","","","","","","","","","","","","","","","","","","","","NSC766423","","CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)N=C1CN4CCN(CC4)CC5=CC=CC=C5","YWTIYHOQOGEVON-UHFFFAOYSA-N","17236226",NA,"PDBC49200","766423","Present"
-"NSC766425","","","","","","","","","","","","","","","","","","","","NSC766425","","C1COCCN1CCCNC2=NC=NC3=C2NC4=C3C=C(C=C4)F","YUNBRHOGRKHXNG-UHFFFAOYSA-N","1945930",NA,"PDBC49201","766425","Present"
-"NSC766426","","","","","","","","","","","","","","","","","","","","NSC766426","","CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)C(F)(F)F","RSEZBMBZLDGGCL-UHFFFAOYSA-N","4329630",NA,"PDBC49202","766426","Present"
-"NSC766428","","","","","","","","","","","","","","","","","","","","NSC766428","","CC1=C(C=C(C=C1)NC2=CC(=NC3=NC(=NN23)C(F)(F)F)C)Cl","VLUCXPDTWDLJRX-UHFFFAOYSA-N","8741335",NA,"PDBC49203","766428","Present"
-"NSC766431","","","","","","","","","","","","","","","","","","","","NSC766431","","CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(N3)C5=C(C=CC=N5)C=C4","ILMGWMKPCOEJRH-UHFFFAOYSA-N","20925640",NA,"PDBC49204","766431","Present"
-"NSC766434","","","","","","","","","","","","","","","","","","","","NSC766434","","CC1=C(N=C(S1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)OC","IZBVFEBRVULVNU-UHFFFAOYSA-N","16799558",NA,"PDBC49205","766434","Present"
-"NSC766435","","","","","","","","","","","","","","","","","","","","NSC766435","","CC1=CC=C(C=C1)C2=C(C3(C4C(C2(C3=O)C5=CC=CC=C5)C(=O)N(C4=O)C6=C(C=CC(=C6)C(=O)C)OC)C7=CC=CC=C7)C8=CC=C(C=C8)C","VMGRDSCIXPOFON-UHFFFAOYSA-N","3269624",NA,"PDBC49206","766435","Present"
-"NSC766437","","","","","","","","","","","","","","","","","","","","NSC766437","","CNCCCNC1=C2C=CC(=CC2=NC=C1)Cl","DSQFFQFYQVGMPS-UHFFFAOYSA-N","6472985",NA,"PDBC49207","766437","Present"
-"NSC766440","","","","","","","","","","","","","","","","","","","","NSC766440","","CC1=C(C(=CC=C1)C)N=C2C3(CCC(CC3)C(C)(C)C)N(C(=N2)SC)C4=CC=C(C=C4)Cl","VCVMLWDTGJJHIX-UHFFFAOYSA-N","3499680",NA,"PDBC49208","766440","Present"
-"NSC766457","","","","","","","","","","","","","","","","","","","","NSC766457","","COC1=CC2=C(C=CN=C2C=C1)C(C3CC4(CCN3CC4)C=C)O","FNBBFRCDCVFRON-UHFFFAOYSA-N","8548",NA,"PDBC49209","766457","Present"
-"NSC766463","","","","","","","","","","","","","","","","","","","","NSC766463","","CC1=CC(=NO1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)CC(C)C)C4=CC=CS4","YCGDUUJJIKNHJN-UHFFFAOYSA-N","22549211",NA,"PDBC49210","766463","Present"
-"NSC766468","","","","","","","","","","","","","","","","","","","","NSC766468","","CCCC1=CC(=C2C3=C(CN(CC3)C)C(=O)OC2=C1)O","JYZGRMRMVUUYHG-UHFFFAOYSA-N","5440108",NA,"PDBC49211","766468","Present"
-"NSC766470","","","","","","","","","","","","","","","","","","","","NSC766470","","COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)CC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)OC","UAHNYHPLYYIAEP-UHFFFAOYSA-N","17325420",NA,"PDBC49212","766470","Present"
-"NSC766478","","","","","","","","","","","","","","","","","","","","NSC766478","","CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCCO)C","RHZLKBRFIAZMTN-UHFFFAOYSA-N","2226126",NA,"PDBC49213","766478","Present"
-"NSC766487","","","","","","","","","","","","","","","","","","","","NSC766487","","CCOC1=C(C=C(C=C1)C2=NON=C2NC(=O)C3=CC=CC(=C3)C)OCC","OAAGWQPTMMCQCB-UHFFFAOYSA-N","16437129",NA,"PDBC49214","766487","Present"
-"NSC766491","","","","","","","","","","","","","","","","","","","","NSC766491","","CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl","CCICOXSOKKGTBB-UHFFFAOYSA-N","1132057",NA,"PDBC49215","766491","Present"
-"NSC766494","","","","","","","","","","","","","","","","","","","","NSC766494","","CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3","GDEYSCBSQAECPV-UHFFFAOYSA-N","7161317",NA,"PDBC49216","766494","Present"
-"NSC766495","","","","","","","","","","","","","","","","","","","","NSC766495","","C1CN(CCN1C2=NN3C=NN=C3C=C2)C(=O)NC4=CC=C(C=C4)Cl","ZDXWENNHTOBFEW-UHFFFAOYSA-N","40504628",NA,"PDBC49217","766495","Present"
-"NSC766499","","","","","","","","","","","","","","","","","","","","NSC766499","","C1CN(CCC1NCC2=CC(=CC=C2)C(F)(F)F)CCC3=CC=CC=C3","DFOQWCGMBXUJKJ-UHFFFAOYSA-N","26458299",NA,"PDBC49218","766499","Present"
-"NSC766511","","","","","","","","","","","","","","","","","","","","NSC766511","","C1CC(C1)(CN2CCC(CC2)NC(=O)CCC3=CC=CO3)C4=CC=C(C=C4)Cl","SQSMBCLFXHSESJ-UHFFFAOYSA-N","44522210",NA,"PDBC49219","766511","Present"
-"NSC766513","","","","","","","","","","","","","","","","","","","","NSC766513","","C1CN(CCC1C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Cl","LETUQHBGUBCUTE-UHFFFAOYSA-N","1042562",NA,"PDBC49220","766513","Present"
-"NSC766523","","","","","","","","","","","","","","","","","","","","NSC766523","","CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC)C(=C2)C","YGHVMEYBSUHIGF-UHFFFAOYSA-N","9550693",NA,"PDBC49221","766523","Present"
-"NSC766525","","","","","","","","","","","","","","","","","","","","NSC766525","","C1=CC=C(C=C1)C2=NC3=C(C=CC=N3)C(=N2)NC4=CC=CC(=C4)C(F)(F)F","UYDBKTHSWIROFS-UHFFFAOYSA-N","1214451",NA,"PDBC49222","766525","Present"
-"NSC766527","","","","","","","","","","","","","","","","","","","","NSC766527","","C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)OC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4O)O","ARMUMDQSBHKWPS-UHFFFAOYSA-N","1230978",NA,"PDBC49223","766527","Present"
-"NSC766532","","","","","","","","","","","","","","","","","","","","NSC766532","","CC(CCC(=C)C)N1CCC(CC1)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3","YOPKSOBTIYZVAH-UHFFFAOYSA-N","45210433",NA,"PDBC49224","766532","Present"
-"NSC766538","","","","","","","","","","","","","","","","","","","","NSC766538","","CN(CC1CCN(CC1)CCC2=CC=C(C=C2)OC)CC3=CN(N=C3)C4=CC=CC=C4","JKRALBAWWDRRPL-UHFFFAOYSA-N","26325235",NA,"PDBC49225","766538","Present"
-"NSC766544","","","","","","","","","","","","","","","","","","","","NSC766544","","CN1C2=C(C=C(S2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4F)C(=N1)C5=CC(=CC=C5)OC","LCUDPYILJFKBKX-UHFFFAOYSA-N","20856297",NA,"PDBC49226","766544","Present"
-"NSC766546","","","","","","","","","","","","","","","","","","","","NSC766546","","CCOC1=C(C=C(C(=C1)C(C)NC(=O)C2=CC(=CC=C2)OC)Cl)OCC","ZWACZQHGJUMQPG-UHFFFAOYSA-N","4139926",NA,"PDBC49227","766546","Present"
-"NSC766547","","","","","","","","","","","","","","","","","","","","NSC766547","","CCOC1=C(C=C(C=C1Cl)CNC(C)C(C2=CC=CC=C2)O)OC","XSOXWLLLSNOJGJ-UHFFFAOYSA-N","2979608",NA,"PDBC49228","766547","Present"
-"NSC766548","","","","","","","","","","","","","","","","","","","","NSC766548","","CC1=CC=C(O1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5N4","OBJNNBMWUAKVOJ-UHFFFAOYSA-N","25459838",NA,"PDBC49229","766548","Present"
-"NSC766550","","","","","","","","","","","","","","","","","","","","NSC766550","","CCCC(C1=NN=NN1C2CCCCC2)N3CCN(CC3)C(=O)C4=CC=CO4","CMDUPELKYFELQB-UHFFFAOYSA-N","3208538",NA,"PDBC49230","766550","Present"
-"NSC766552","","","","","","","","","","","","","","","","","","","","NSC766552","","CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=CC=C3OC)C4=CC=CS4","DRTXUXSSVIINLL-UHFFFAOYSA-N","22549224",NA,"PDBC49231","766552","Present"
-"NSC766556","","","","","","","","","","","","","","","","","","","","NSC766556","","CCOC1=C(C=C(C(=C1)C(C)NC(=O)C2=CC(=CC=C2)OC)Br)OCC","IPXGOPWZGKLOMJ-UHFFFAOYSA-N","3491998",NA,"PDBC49232","766556","Present"
-"NSC766557","","","","","","","","","","","","","","","","","","","","NSC766557","","CC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)O","GIQLSYUQGQPQSU-UHFFFAOYSA-N","1954158",NA,"PDBC49233","766557","Present"
-"NSC766563","","","","","","","","","","","","","","","","","","","","NSC766563","","CC(C)OCC1=C2C=CC=NC2=C(C(=C1)CN3CCN(CC3)C4=CC(=CC=C4)Cl)O","IENYQAIEIIEHTE-UHFFFAOYSA-N","23604751",NA,"PDBC49234","766563","Present"
-"NSC766564","","","","","","","","","","","","","","","","","","","","NSC766564","","CCCN(CCC)CCCNC(=O)C1=CC2=C(S1)N(N=C2C3=CC(=C(C=C3)OC)OC)C","LEJZVWKPAYYUCZ-UHFFFAOYSA-N","16020383",NA,"PDBC49235","766564","Present"
-"NSC766565","","","","","","","","","","","","","","","","","","","","NSC766565","","CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC(=C(C=C3)Cl)Cl)O","YTILIDHNOSRDBJ-UHFFFAOYSA-N","3130812",NA,"PDBC49236","766565","Present"
-"NSC766580","","","","","","","","","","","","","","","","","","","","NSC766580","","COCCNCC(CN1C2=C(C=C(C=C2)Cl)C3=C1C=CC(=C3)Cl)O","DSIQFIHYYDCOLI-UHFFFAOYSA-N","2920941",NA,"PDBC49237","766580","Present"
-"NSC766584","","","","","","","","","","","","","","","","","","","","NSC766584","","C1CCC(C1)NCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O","UIWHEXAVANZGHK-UHFFFAOYSA-N","2942140",NA,"PDBC49238","766584","Present"
-"NSC766585","","","","","","","","","","","","","","","","","","","","NSC766585","","C1CN(CCC1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4)CC5=CC=CC=C5","HGNKPMCVRMVSIK-UHFFFAOYSA-N","17375211",NA,"PDBC49239","766585","Present"
-"NSC766586","","","","","","","","","","","","","","","","","","","","NSC766586","","C1CNCCC1CNCC2=CC=C(O2)C3=C(C=C(C=C3)Br)Cl","VFFXYVJKHGENTG-UHFFFAOYSA-N","16004286",NA,"PDBC49240","766586","Present"
-"NSC766590","","","","","","","","","","","","","","","","","","","","NSC766590","","CCC1=CC=C(C=C1)NC2=CC(=NC3=NC(=NN23)C)C","WAUKSVKCFIGKGN-UHFFFAOYSA-N","5308471",NA,"PDBC49241","766590","Present"
-"NSC766600","","","","","","","","","","","","","","","","","","","","NSC766600","","C1CC(OC1)CNCC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O","VWROENVTHCVTHF-UHFFFAOYSA-N","3129553",NA,"PDBC49242","766600","Present"
-"NSC766601","","","","","","","","","","","","","","","","","","","","NSC766601","","CCN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(=O)OC)C","MFSAGTMHCKNNCQ-UHFFFAOYSA-N","3164076",NA,"PDBC49243","766601","Present"
-"NSC766608","","","","","","","","","","","","","","","","","","","","NSC766608","","CCC(C1=C(C=C(C=C1)Br)NC(=O)C2=CC(=CC=C2)Cl)O","CUWSCNYUVZAUCL-UHFFFAOYSA-N","5304895",NA,"PDBC49244","766608","Present"
-"NSC766609","","","","","","","","","","","","","","","","","","","","NSC766609","","C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CO5","WFJMXMMPYVXLFE-UHFFFAOYSA-N","2192323",NA,"PDBC49245","766609","Present"
-"NSC766612","","","","","","","","","","","","","","","","","","","","NSC766612","","COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4","GFDLOQVUVBBATG-UHFFFAOYSA-N","1330474",NA,"PDBC49246","766612","Present"
-"NSC766613","","","","","","","","","","","","","","","","","","","","NSC766613","","CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC(=CC=C3)F","CTOCGJNJJGMVFB-UHFFFAOYSA-N","697239",NA,"PDBC49247","766613","Present"
-"NSC766615","","","","","","","","","","","","","","","","","","","","NSC766615","","C1CN(CCC1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)CC5=CC=CC=C5","UVUCEFFMTRFLDP-UHFFFAOYSA-N","17373844",NA,"PDBC49248","766615","Present"
-"NSC766624","","","","","","","","","","","","","","","","","","","","NSC766624","","C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl","XWBCKKPYRUUVQU-UHFFFAOYSA-N","2043476",NA,"PDBC49249","766624","Present"
-"NSC766626","","","","","","","","","","","","","","","","","","","","NSC766626","","CC1=C(SC2=C1C(=NC=N2)SC3=NC4=CC=CC=C4N3)C","NWDJYAXDXGNJBH-UHFFFAOYSA-N","934186",NA,"PDBC49250","766626","Present"
-"NSC766628","","","","","","","","","","","","","","","","","","","","NSC766628","","CC1CCCCC1NCC(CN2C(=C(C3=CC=CC=C32)C)C)O","GDDCYANZONIPGV-UHFFFAOYSA-N","4109525",NA,"PDBC49251","766628","Present"
-"NSC766633","","","","","","","","","","","","","","","","","","","","NSC766633","","CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3","QWAVSGXBYFASKZ-UHFFFAOYSA-N","453048",NA,"PDBC49252","766633","Present"
-"NSC766634","","","","","","","","","","","","","","","","","","","","NSC766634","","C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Br)C4=CC=CC=C4F","VNMWKWVDDVPSBF-UHFFFAOYSA-N","1507416",NA,"PDBC49253","766634","Present"
-"NSC766643","","","","","","","","","","","","","","","","","","","","NSC766643","","CN(C)CCCNCC1=CC=C(O1)C2=CC(=C(C=C2)F)Cl","YIQFCULBVMFGTR-UHFFFAOYSA-N","4724577",NA,"PDBC49254","766643","Present"
-"NSC766644","","","","","","","","","","","","","","","","","","","","NSC766644","","CCC(=O)NC1=NN=C(S1)CC2=CC(=C(C=C2)OC)OC","QIFXARBSCYEPAY-UHFFFAOYSA-N","1091318",NA,"PDBC49255","766644","Present"
-"NSC766655","","","","","","","","","","","","","","","","","","","","NSC766655","","CCCCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC(=C3)C)O","WJZWXNNJEAGCKQ-UHFFFAOYSA-N","22332109",NA,"PDBC49256","766655","Present"
-"NSC766656","","","","","","","","","","","","","","","","","","","","NSC766656","","CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCCN(C)C)Cl","KMUSVINZSCTMHQ-UHFFFAOYSA-N","1643514",NA,"PDBC49257","766656","Present"
-"NSC766660","","","","","","","","","","","","","","","","","","","","NSC766660","","C1=CC=C2C(=C1)C3=NN=C(C=C3C2=O)C4=CC=C(C=C4)Br","QHYRELLXJDJBHO-UHFFFAOYSA-N","2767328",NA,"PDBC49258","766660","Present"
-"NSC766661","","","","","","","","","","","","","","","","","","","","NSC766661","","CC1=C(C(=O)C2=CC=CC=C2N1)CC=C(Cl)Cl","JNLBPEFJUBUZMX-UHFFFAOYSA-N","826140",NA,"PDBC49259","766661","Present"
-"NSC766664","","","","","","","","","","","","","","","","","","","","NSC766664","","C1CCN(CC1)C2CCN(CC2)CCCNC(=O)C3=CC4=C(C=CC(=C4)Br)OC3","SNLLGJBMDQWSKR-UHFFFAOYSA-N","22578577",NA,"PDBC49260","766664","Present"
-"NSC766668","","","","","","","","","","","","","","","","","","","","NSC766668","","CCCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC(=C3)C)O","FZFXKVXUQPPZJU-UHFFFAOYSA-N","3774203",NA,"PDBC49261","766668","Present"
-"NSC766671","","","","","","","","","","","","","","","","","","","","NSC766671","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC=CC(=C4)C","RGXXAMTXVCJIHY-UHFFFAOYSA-N","3814649",NA,"PDBC49262","766671","Present"
-"NSC766674","","","","","","","","","","","","","","","","","","","","NSC766674","","CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C#N","SSIMQXGQNYOUGF-UHFFFAOYSA-N","40481904",NA,"PDBC49263","766674","Present"
-"NSC766676","","","","","","","","","","","","","","","","","","","","NSC766676","","CCCCC(C1=CC=C(C=C1)Cl)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O","BDFXCUHFXTXXJL-UHFFFAOYSA-N","23606867",NA,"PDBC49264","766676","Present"
-"NSC766678","","","","","","","","","","","","","","","","","","","","NSC766678","","CC(C)CCNCC(CN1C2=CC=CC=C2C3=CC=CC=C31)O","RILRKUIAPLEMSF-UHFFFAOYSA-N","3753557",NA,"PDBC49265","766678","Present"
-"NSC766679","","","","","","","","","","","","","","","","","","","","NSC766679","","C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC(=C4)C(F)(F)F","FOQJAGNDQYWIRF-UHFFFAOYSA-N","468692",NA,"PDBC49266","766679","Present"
-"NSC766681","","","","","","","","","","","","","","","","","","","","NSC766681","","CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]","TZGKWYPKVUZODV-UHFFFAOYSA-N","1486593",NA,"PDBC49267","766681","Present"
-"NSC766685","","","","","","","","","","","","","","","","","","","","NSC766685","","COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC4=C3CN(CO4)CC5=CC=C(C=C5)F","PXYOGWFHUSGTGE-UHFFFAOYSA-N","1777249",NA,"PDBC49268","766685","Present"
-"NSC766689","","","","","","","","","","","","","","","","","","","","NSC766689","","C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CCCC4=CC=CC=C4","DBVHRKVRLJTZND-UHFFFAOYSA-N","11837127",NA,"PDBC49269","766689","Present"
-"NSC766690","","","","","","","","","","","","","","","","","","","","NSC766690","","CCOC(=O)C1=C(C2=CC=CC(=C2N=C1)C)NC3=CC=C(C=C3)C(=O)C","INBPMTNLYMLYAC-UHFFFAOYSA-N","705510",NA,"PDBC49270","766690","Present"
-"NSC766692","","","","","","","","","","","","","","","","","","","","NSC766692","","CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC(=O)C4=CC(=CC=C4)OC","DYRXAXDGAQMJDP-UHFFFAOYSA-N","2897031",NA,"PDBC49271","766692","Present"
-"NSC766693","","","","","","","","","","","","","","","","","","","","NSC766693","","CCOC1=CC2=C(C=C1)OCN(C2)CC3=CC=C(C=C3)Cl","RRQWNGSEMNJXDW-UHFFFAOYSA-N","945743",NA,"PDBC49272","766693","Present"
-"NSC766694","","","","","","","","","","","","","","","","","","","","NSC766694","","CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C4=CC=CC=C34)OC)C(=O)C(=CC5=CC=CC=C5O)S2)C","HURFFFRCSHQNDT-HAHDFKILSA-N","5975764",NA,"PDBC49273","766694","Present"
-"NSC766704","","","","","","","","","","","","","","","","","","","","NSC766704","","COC1=C(C=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=C(C=C6)F","SUVBDWQXLWTGRI-UHFFFAOYSA-N","2900551",NA,"PDBC49274","766704","Present"
-"NSC766705","","","","","","","","","","","","","","","","","","","","NSC766705","","CCCCCCC(C1=CC=C(C=C1)F)(C(CN2CCOCC2)C3=CC=CC=C3)O","USSCYZYKABYKAR-UHFFFAOYSA-N","23606963",NA,"PDBC49275","766705","Present"
-"NSC766707","","","","","","","","","","","","","","","","","","","","NSC766707","","C1=CC=C2C=C3C(=CC2=C1)NC(=N3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Br","DALJFINQIRVMMQ-UHFFFAOYSA-N","1331204",NA,"PDBC49276","766707","Present"
-"NSC766716","","","","","","","","","","","","","","","","","","","","NSC766716","","CCOC1=C(C=C(C=C1Br)C2C(=CN(C=C2C(=O)OC)C)C(=O)OC)OC","GHWXGIMICMXCPZ-UHFFFAOYSA-N","1531863",NA,"PDBC49277","766716","Present"
-"NSC766722","","","","","","","","","","","","","","","","","","","","NSC766722","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=NC3=CC=CC=C3C)O2)C4=NC5=CC=CC=C5N4)O","DGBJSVJYBSICRH-UHFFFAOYSA-N","135543311",NA,"PDBC49278","766722","Present"
-"NSC766732","","","","","","","","","","","","","","","","","","","","NSC766732","","COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CCCN6C=CN=C6)OC","CRBJTYVJVJERPH-UHFFFAOYSA-N","3559623",NA,"PDBC49279","766732","Present"
-"NSC766734","","","","","","","","","","","","","","","","","","","","NSC766734","","C1CN(CCC1NC(=O)C2=CC(=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)NC5CCN(CC5)CC6=CC=CC=C6)CC7=CC=CC=C7","WJUOPSPFQSXVSK-UHFFFAOYSA-N","5051873",NA,"PDBC49280","766734","Present"
-"NSC766744","","","","","","","","","","","","","","","","","","","","NSC766744","","CC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC4=C3OC(=O)C=C4C)C","AMDACVCCXDZOTC-UHFFFAOYSA-N","933766",NA,"PDBC49281","766744","Present"
-"NSC766746","","","","","","","","","","","","","","","","","","","","NSC766746","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C=CC4=CC=CC=C4)O","HGBMOUZLBAYJRN-OUKQBFOZSA-N","5886892",NA,"PDBC49282","766746","Present"
-"NSC766749","","","","","","","","","","","","","","","","","","","","NSC766749","","CN1C2=C(C=C(C=C2)CNCCNC3=C4C=CC(=CC4=NC=C3)Cl)N(C1=O)C","NPWXHTXMBIOHKI-UHFFFAOYSA-N","6501965",NA,"PDBC49283","766749","Present"
-"NSC766751","","","","","","","","","","","","","","","","","","","","NSC766751","","CCOC1=C(C=C(C=C1Br)C2C(=CN(C=C2C(=O)OCC)C)C(=O)OCC)OC","FBKIPJLWVIZHGV-UHFFFAOYSA-N","5158191",NA,"PDBC49284","766751","Present"
-"NSC766755","","","","","","","","","","","","","","","","","","","","NSC766755","","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)NC(=O)C5=CC=C(C=C5)Cl","WLBJJWICAOVTHR-UHFFFAOYSA-N","493035",NA,"PDBC49285","766755","Present"
-"NSC766761","","","","","","","","","","","","","","","","","","","","NSC766761","","C1CN(CCC1NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(S4)Cl)C(F)(F)F)CC5=CC=CC=C5","BOJAXOHWYZMMKZ-UHFFFAOYSA-N","1000261",NA,"PDBC49286","766761","Present"
-"NSC766764","","","","","","","","","","","","","","","","","","","","NSC766764","","C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)O)C4=CC5=C(C=C4)OC6=C5C=C(C=C6)C7=C(N=C(N7)C8=CC=C(C=C8)O)C9=CC=CC=C9","LFPPEIQRWSPQQB-UHFFFAOYSA-N","135403990",NA,"PDBC49287","766764","Present"
-"NSC766765","","","","","","","","","","","","","","","","","","","","NSC766765","","CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5Cl)C6=CC=C(C=C6)F)C(=O)C2","HIDBFCAYHFMHLE-UHFFFAOYSA-N","3454585",NA,"PDBC49288","766765","Present"
-"NSC766767","","","","","","","","","","","","","","","","","","","","NSC766767","","C1CN(CCN1CC2=CC=C(C=C2)Cl)CC3=C(C=CC(=C3)Br)O","UDBUKNAECQQGSK-UHFFFAOYSA-N","2887065",NA,"PDBC49289","766767","Present"
-"NSC766772","","","","","","","","","","","","","","","","","","","","NSC766772","","COC1=CC=C(C=C1)C2=NC(=C3C4=C(CCCC4)SC3=N2)N5CCN(CC5)C(=O)C6CCCCC6","CLJWLZOKIOKORQ-UHFFFAOYSA-N","1434951",NA,"PDBC49290","766772","Present"
-"NSC766775","","","","","","","","","","","","","","","","","","","","NSC766775","","CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC3=CC(=C(C=C3)C)C","APCPGRSHWZYJEA-UHFFFAOYSA-N","691643",NA,"PDBC49291","766775","Present"
-"NSC766777","","","","","","","","","","","","","","","","","","","","NSC766777","","COC1=CC(=CC(=C1O)OC)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","GWQSXPMDIQADHQ-UHFFFAOYSA-N","1355348",NA,"PDBC49292","766777","Present"
-"NSC766779","","","","","","","","","","","","","","","","","","","","NSC766779","","COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","AIDJWZIOMBFHID-UHFFFAOYSA-N","1104079",NA,"PDBC49293","766779","Present"
-"NSC766780","","","","","","","","","","","","","","","","","","","","NSC766780","","CCCCNC1=NC(=NC(=N1)NC(C)(C)C)NC(C)(C)C","MNGKSEZZXHVVJO-UHFFFAOYSA-N","4400747",NA,"PDBC49294","766780","Present"
-"NSC766781","","","","","","","","","","","","","","","","","","","","NSC766781","","C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C3=C(C4=C(C=CC=N4)C=C3)O)NC5=CC=CC=N5","WJNJQDQWGRQWCD-UHFFFAOYSA-N","2923731",NA,"PDBC49295","766781","Present"
-"NSC766785","","","","","","","","","","","","","","","","","","","","NSC766785","","CCOC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N","VLQRTOJDGFJEIE-UHFFFAOYSA-N","409219",NA,"PDBC49296","766785","Present"
-"NSC766787","","","","","","","","","","","","","","","","","","","","NSC766787","","CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC=C(C=C3)OC","SSTCHTLFFVJUGP-UHFFFAOYSA-N","807557",NA,"PDBC49297","766787","Present"
-"NSC766788","","","","","","","","","","","","","","","","","","","","NSC766788","","C1=CC2=C3C(=CC=C4C3=C1C(=O)N(C4=O)CCCCO)C(=O)N(C2=O)CCCCO","XZBVMYTVRGGDKI-UHFFFAOYSA-N","3130863",NA,"PDBC49298","766788","Present"
-"NSC766794","","","","","","","","","","","","","","","","","","","","NSC766794","","COC1=CC(=CC(=C1OC)OC)C(=O)ON=C(CC2=CC=CC3=CC=CC=C32)N","ADZFTCMTEDATTQ-UHFFFAOYSA-N","9587029",NA,"PDBC49299","766794","Present"
-"NSC766807","","","","","","","","","","","","","","","","","","","","NSC766807","","CN1C2=CC=CC=C2N=C1C(=O)C3=CC=CC4=CC=CC=C43","IRYFDSQLAQPRJR-UHFFFAOYSA-N","4411107",NA,"PDBC49300","766807","Present"
-"NSC766809","","","","","","","","","","","","","","","","","","","","NSC766809","","C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=C(C=C3)Cl)Cl)NCCO","ZGMMVVYGDFQTBB-UHFFFAOYSA-N","2229100",NA,"PDBC49301","766809","Present"
-"NSC766871","","","","","","","","","","","","","","","","","","","","NSC766871","","C1=CC=C(C(=C1)C(=O)O)NC2=NN3C(=NN=C3C4=CC=NC=C4)C=C2","UQMVANVETJQCDL-UHFFFAOYSA-N","155811419",NA,"PDBC49302","766871","Present"
-"NSC766875","","","","","","","","","","","","","","","","","","","","NSC766875","","C1=CC=C(C(=C1)C(=O)N)NC2=NN3C(=NN=C3C4=CC=NC=C4)C=C2","DJVFNGMLLDMCFG-UHFFFAOYSA-N","155806829",NA,"PDBC49303","766875","Present"
-"NSC767157","","","","","","","","","","","","","","","","","","","","NSC767157","","COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","XSUBNQQKENMWAB-UBFVSLLYSA-N","155810003",NA,"PDBC49304","767157","Present"
-"NSC767158","","","","","","","","","","","","","","","","","","","","NSC767158","","COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","XSUBNQQKENMWAB-SDHSZQHLSA-N","155806838",NA,"PDBC49305","767158","Present"
-"NSC767160","","","","","","","","","","","","","","","","","","","","NSC767160","","COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","XSUBNQQKENMWAB-DSITVLBTSA-N","155816004",NA,"PDBC49306","767160","Present"
-"NSC767161","","","","","","","","","","","","","","","","","","","","NSC767161","","COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","XSUBNQQKENMWAB-ISJGIBHGSA-N","155814499",NA,"PDBC49307","767161","Present"
-"NSC767171","","","","","","","","","","","","","","","","","","","","NSC767171","","C1=CC=NC(=C1)C=CC(=O)C2=CC=C(C=C2)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl","BQIFDOUVUPGRNN-JLHYYAGUSA-N","155805083",NA,"PDBC49308","767171","Present"
-"NSC767174","","","","","","","","","","","","","","","","","","","","NSC767174","","COC1=CC=C(C=C1)C2=NN=C(O2)COC3=CC=C(C=C3)C(=O)C=CC4=CC=CO4","SZPVPTKYRDYTBR-OUKQBFOZSA-N","155806841",NA,"PDBC49309","767174","Present"
-"NSC767178","","","","","","","","","","","","","","","","","","","","NSC767178","","CCCOC(=O)C1=CC2=C(C=C1)[N+](=O)C(=C([N+]2=O)C(=O)C3=CC=CC=C3)C(F)(F)F","ULTKOGPWZAAGBP-UHFFFAOYSA-N","155813068",NA,"PDBC49310","767178","Present"
-"NSC767190","","","","","","","","","","","","","","","","","","","","NSC767190","","C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3O)C4=CNC5=CC=CC=C54","MTKKHFBXXUZIDC-UHFFFAOYSA-N","5327651",NA,"PDBC49311","767190","Present"
-"NSC767191","","","","","","","","","","","","","","","","","","","","NSC767191","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","DWLMLPCWSGBXMZ-UHFFFAOYSA-N","5327655",NA,"PDBC49312","767191","Present"
-"NSC767192","","","","","","","","","","","","","","","","","","","","NSC767192","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=CC5=CC=CC=C54","STTILKKNKXMNIF-UHFFFAOYSA-N","5327661",NA,"PDBC49313","767192","Present"
-"NSC767193","","","","","","","","","","","","","","","","","","","","NSC767193","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC5=CC=CC=C5C=C4","URVKCDCCZPNJLS-UHFFFAOYSA-N","5327662",NA,"PDBC49314","767193","Present"
-"NSC767194","","","","","","","","","","","","","","","","","","","","NSC767194","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=C(C=C4)OC","DQHWNUCJVPQFGP-UHFFFAOYSA-N","5327702",NA,"PDBC49315","767194","Present"
-"NSC767195","","","","","","","","","","","","","","","","","","","","NSC767195","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)OC)C","JSVMZIMMLIKDPH-UHFFFAOYSA-N","5327685",NA,"PDBC49316","767195","Present"
-"NSC767196","","","","","","","","","","","","","","","","","","","","NSC767196","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CSC=C4","QSWVIVJBWVSRRV-UHFFFAOYSA-N","5327667",NA,"PDBC49317","767196","Present"
-"NSC767197","","","","","","","","","","","","","","","","","","","","NSC767197","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(N(C5=CC=CC=C54)C)SC","BPYHLGZHYHZOOK-UHFFFAOYSA-N","5327699",NA,"PDBC49318","767197","Present"
-"NSC767198","","","","","","","","","","","","","","","","","","","","NSC767198","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCO","DIBQJDJFXJGVJC-UHFFFAOYSA-N","5327930",NA,"PDBC49319","767198","Present"
-"NSC767199","","","","","","","","","","","","","","","","","","","","NSC767199","","CN1C=C(C2=C1C=CC(=C2)N)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","LSAVPOITAZCHEO-UHFFFAOYSA-N","5327672",NA,"PDBC49320","767199","Present"
-"NSC767200","","","","","","","","","","","","","","","","","","","","NSC767200","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=C(C=C4)N","QYDVONWRHPRJQY-UHFFFAOYSA-N","5327705",NA,"PDBC49321","767200","Present"
-"NSC767201","","","","","","","","","","","","","","","","","","","","NSC767201","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCO","FUVJGBQDHCCGCD-UHFFFAOYSA-N","5327929",NA,"PDBC49322","767201","Present"
-"NSC767202","","","","","","","","","","","","","","","","","","","","NSC767202","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(N(C5=CC=CC=C54)C)S(=O)C","BEWICDRUAXGGBV-UHFFFAOYSA-N","5327700",NA,"PDBC49323","767202","Present"
-"NSC767203","","","","","","","","","","","","","","","","","","","","NSC767203","","CC(=O)NC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C)C","IODCGJGLMDWAMV-UHFFFAOYSA-N","5327682",NA,"PDBC49324","767203","Present"
-"NSC767204","","","","","","","","","","","","","","","","","","","","NSC767204","","CN1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C4=C(C(=O)NC4=O)C5=CN(C6=CC=CC=C65)C","VVOIKNNKVBSZJQ-UHFFFAOYSA-N","5327675",NA,"PDBC49325","767204","Present"
-"NSC767205","","","","","","","","","","","","","","","","","","","","NSC767205","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC=C5[N+](=O)[O-])C","SAIYYNBLXZAZSN-UHFFFAOYSA-N","5327693",NA,"PDBC49326","767205","Present"
-"NSC767206","","","","","","","","","","","","","","","","","","","","NSC767206","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)N","RGTAEYDIDMGJLX-UHFFFAOYSA-N","5327711",NA,"PDBC49327","767206","Present"
-"NSC767207","","","","","","","","","","","","","","","","","","","","NSC767207","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)[N+](=O)[O-]","LQYAEVHUTDICIN-UHFFFAOYSA-N","5327712",NA,"PDBC49328","767207","Present"
-"NSC767209","","","","","","","","","","","","","","","","","","","","NSC767209","","C1=CC=C2C(=C1)C(=CN2)C3C(C(=O)NC3=O)C4=CNC5=CC=CC=C54","QBMMMCZNMCDPBJ-ROUUACIJSA-N","5327649",NA,"PDBC49329","767209","Present"
-"NSC767210","","","","","","","","","","","","","","","","","","","","NSC767210","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)Cl","WDKNOTYYBBUUEH-UHFFFAOYSA-N","5327707",NA,"PDBC49330","767210","Present"
-"NSC767211","","","","","","","","","","","","","","","","","","","","NSC767211","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC=C5N)C","NCELDRHKRGURPC-UHFFFAOYSA-N","5327691",NA,"PDBC49331","767211","Present"
-"NSC767212","","","","","","","","","","","","","","","","","","","","NSC767212","","CN1C=C(C2=C1C=CC=C2OC)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","GZZFTWKZCLFRBO-UHFFFAOYSA-N","5327696",NA,"PDBC49332","767212","Present"
-"NSC767213","","","","","","","","","","","","","","","","","","","","NSC767213","","CC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C)C","VEDDMJVAGLMJHD-UHFFFAOYSA-N","5327671",NA,"PDBC49333","767213","Present"
-"NSC767214","","","","","","","","","","","","","","","","","","","","NSC767214","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)N)C","KTAUCQCZXBJXPD-UHFFFAOYSA-N","5327684",NA,"PDBC49334","767214","Present"
-"NSC767215","","","","","","","","","","","","","","","","","","","","NSC767215","","CC1=C2C(=CC=C1)C(=CN2C)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","NQZMHNYMTKLVTO-UHFFFAOYSA-N","5327690",NA,"PDBC49335","767215","Present"
-"NSC767216","","","","","","","","","","","","","","","","","","","","NSC767216","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN","UQHKJRCFSLMWIA-UHFFFAOYSA-N","2403",NA,"PDBC49336","767216","Present"
-"NSC767217","","","","","","","","","","","","","","","","","","","","NSC767217","","CC(=O)NC1=CC2=C(C=C1)C(=CN2C)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","QZTLMPWKXJARBA-UHFFFAOYSA-N","5327689",NA,"PDBC49337","767217","Present"
-"NSC767218","","","","","","","","","","","","","","","","","","","","NSC767218","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)Cl)C","OYGJJFNXPCGVTE-UHFFFAOYSA-N","5327683",NA,"PDBC49338","767218","Present"
-"NSC767219","","","","","","","","","","","","","","","","","","","","NSC767219","","CC1=CC=CC=C1C2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)C","CIXYARKGFUUHHW-UHFFFAOYSA-N","5327714",NA,"PDBC49339","767219","Present"
-"NSC767220","","","","","","","","","","","","","","","","","","","","NSC767220","","CN1C=C(C2=C1C=CC(=C2)Cl)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","VVLJRAHYERPXFH-UHFFFAOYSA-N","5327670",NA,"PDBC49340","767220","Present"
-"NSC767221","","","","","","","","","","","","","","","","","","","","NSC767221","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)Br","KDOTZTCOVSLYKO-UHFFFAOYSA-N","5327708",NA,"PDBC49341","767221","Present"
-"NSC767222","","","","","","","","","","","","","","","","","","","","NSC767222","","CC1=CC(=C(C=C1)C)C2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)C","AJAGWKXGNBDGDQ-UHFFFAOYSA-N","5327719",NA,"PDBC49342","767222","Present"
-"NSC767223","","","","","","","","","","","","","","","","","","","","NSC767223","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=CC=C4C(F)(F)F","REXQMUUMBIEMKR-UHFFFAOYSA-N","5327717",NA,"PDBC49343","767223","Present"
-"NSC767224","","","","","","","","","","","","","","","","","","","","NSC767224","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=CC=C4[N+](=O)[O-]","HJXOAWWNHWZRHO-UHFFFAOYSA-N","5327716",NA,"PDBC49344","767224","Present"
-"NSC767225","","","","","","","","","","","","","","","","","","","","NSC767225","","CC1=C(C2=CC=CC=C2N1C)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","YJRJNBLRNPBJDL-UHFFFAOYSA-N","5327698",NA,"PDBC49345","767225","Present"
-"NSC767226","","","","","","","","","","","","","","","","","","","","NSC767226","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCCN","MNDVTEUMTAQQKL-UHFFFAOYSA-N","5327934",NA,"PDBC49346","767226","Present"
-"NSC767227","","","","","","","","","","","","","","","","","","","","NSC767227","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54","SEAKDKTVXBDRHV-UHFFFAOYSA-N","5327654",NA,"PDBC49347","767227","Present"
-"NSC767228","","","","","","","","","","","","","","","","","","","","NSC767228","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN=CC=C4","VFTQJAGTZBWUJS-UHFFFAOYSA-N","18780230",NA,"PDBC49348","767228","Present"
-"NSC767230","","","","","","","","","","","","","","","","","","","","NSC767230","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCO","SCANCBOXHLJFBT-UHFFFAOYSA-N","5327928",NA,"PDBC49349","767230","Present"
-"NSC767231","","","","","","","","","","","","","","","","","","","","NSC767231","","CNCCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","AOUNSDICPNJTQM-UHFFFAOYSA-N","5327935",NA,"PDBC49350","767231","Present"
-"NSC767232","","","","","","","","","","","","","","","","","","","","NSC767232","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCN","OZVIXSLTRMYODX-UHFFFAOYSA-N","5327932",NA,"PDBC49351","767232","Present"
-"NSC767233","","","","","","","","","","","","","","","","","","","","NSC767233","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCCO","BSBODCATJMRXPP-UHFFFAOYSA-N","5327931",NA,"PDBC49352","767233","Present"
-"NSC767234","","","","","","","","","","","","","","","","","","","","NSC767234","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC=C4","MFGMCPNDXYDUME-UHFFFAOYSA-N","5327666",NA,"PDBC49353","767234","Present"
-"NSC767235","","","","","","","","","","","","","","","","","","","","NSC767235","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)N4C=CC5=CC=CC=C54","WERUZASLJJAWCD-UHFFFAOYSA-N","5327660",NA,"PDBC49354","767235","Present"
-"NSC767236","","","","","","","","","","","","","","","","","","","","NSC767236","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCNC(=N[N+](=O)[O-])N","QWOYFIJNWGMAQA-UHFFFAOYSA-N","136461980",NA,"PDBC49355","767236","Present"
-"NSC767238","","","","","","","","","","","","","","","","","","","","NSC767238","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CCCCN5C6=CC=CC=C64","VPTSHTDSHSZINV-UHFFFAOYSA-N","5327736",NA,"PDBC49356","767238","Present"
-"NSC767239","","","","","","","","","","","","","","","","","","","","NSC767239","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN=C(N)N","MFBWLCFHQHKTBP-UHFFFAOYSA-N","5327941",NA,"PDBC49357","767239","Present"
-"NSC767241","","","","","","","","","","","","","","","","","","","","NSC767241","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCCSC(=N)N","HPYZDMGHSZUKPM-UHFFFAOYSA-N","5327939",NA,"PDBC49358","767241","Present"
-"NSC767242","","","","","","","","","","","","","","","","","","","","NSC767242","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN","QQKKPWJFHBFCTH-UHFFFAOYSA-N","2404",NA,"PDBC49359","767242","Present"
-"NSC767244","","","","","","","","","","","","","","","","","","","","NSC767244","","CCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","NMPSBQCWPUSRMH-UHFFFAOYSA-N","5327657",NA,"PDBC49360","767244","Present"
-"NSC767245","","","","","","","","","","","","","","","","","","","","NSC767245","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6=CC=CC=C6","LZSMYZZPCOFKOY-UHFFFAOYSA-N","5327658",NA,"PDBC49361","767245","Present"
-"NSC767249","","","","","","","","","","","","","","","","","","","","NSC767249","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCC(=N)N","XIFBOSNPWOEMFB-UHFFFAOYSA-N","5327942",NA,"PDBC49362","767249","Present"
-"NSC767250","","","","","","","","","","","","","","","","","","","","NSC767250","","C1=CC=C(C(=C1)C2=NC3=C(NC4=C2C=C(C=C4)[N+](=O)[O-])NN=C3)Cl","JOBYRTMUHJKCCU-UHFFFAOYSA-N","136002663",NA,"PDBC49363","767250","Present"
-"NSC767251","","","","","","","","","","","","","","","","","","","","NSC767251","","C1=CSC(=C1)C2=NC3=NNC(=C3C(=C2)C(F)(F)F)N","YUHMIICGWLXAAD-UHFFFAOYSA-N","52948700",NA,"PDBC49364","767251","Present"
-"NSC767252","","","","","","","","","","","","","","","","","","","","NSC767252","","C1=CNC(=C1)C=C2C3=C(C=CC(=C3)F)NC2=O","WZZGJBRIPIUDCR-XFFZJAGNSA-N","49834792",NA,"PDBC49365","767252","Present"
-"NSC767253","","","","","","","","","","","","","","","","","","","","NSC767253","","COC1=C(NC=C1)C=C2C3=CC=CC=C3NC2=O","VFRYWNKBMCTSEA-NTMALXAHSA-N","23645052",NA,"PDBC49366","767253","Present"
-"NSC767255","","","","","","","","","","","","","","","","","","","","NSC767255","","CC(C)C1=C2C(=NN1)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4Cl","LTBGJBWIVOIOBU-UHFFFAOYSA-N","135484603",NA,"PDBC49367","767255","Present"
-"NSC767256","","","","","","","","","","","","","","","","","","","","NSC767256","","CC1=C2C(=NN1)NC3=C(C=C(C=C3)C#N)C(=N2)C4=CC=CC=C4F","CJLJMEJZOSKKDY-UHFFFAOYSA-N","135422951",NA,"PDBC49368","767256","Present"
-"NSC767257","","","","","","","","","","","","","","","","","","","","NSC767257","","CC1=C2C(=NN1)NC3=C(C=C(C=C3)OC)C(=N2)C4=CC=CC=C4Cl","DPNXJZDCWBJDSX-UHFFFAOYSA-N","136152790",NA,"PDBC49369","767257","Present"
-"NSC767258","","","","","","","","","","","","","","","","","","","","NSC767258","","COC1=C(NC=C1)C=C2C3=C(C=CC(=C3I)F)NC2=O","JTWFHXHESYOBSQ-SREVYHEPSA-N","18363902",NA,"PDBC49370","767258","Present"
-"NSC767259","","","","","","","","","","","","","","","","","","","","NSC767259","","CNCC#CC1=C(C=CC2=C1C(=CC3=C(C=CN3)OC)C(=O)N2)F","QMIDZOGAPGBZSC-BENRWUELSA-N","23645070",NA,"PDBC49371","767259","Present"
-"NSC767260","","","","","","","","","","","","","","","","","","","","NSC767260","","CC1=C2C(=NN1)NC3=C(C=C(C=C3)NC(=O)C)C(=N2)C4=CC=CC=C4Cl","QZKMTTRUIZQGBA-UHFFFAOYSA-N","135515472",NA,"PDBC49372","767260","Present"
-"NSC767261","","","","","","","","","","","","","","","","","","","","NSC767261","","COC1=C(NC=C1)C=C2C3=C(C=CC(=C3C#CC4(CCOCC4)O)F)NC2=O","VVEJXZWNRXJDBL-OWBHPGMISA-N","18366119",NA,"PDBC49373","767261","Present"
-"NSC767262","","","","","","","","","","","","","","","","","","","","NSC767262","","CC1=C2C(=NN1)NC3=C(C=C(C=C3)C(=O)N)C(=N2)C4=CC=CC=C4F","VVNLDCXTONSUOB-UHFFFAOYSA-N","136152807",NA,"PDBC49374","767262","Present"
-"NSC767263","","","","","","","","","","","","","","","","","","","","NSC767263","","COC1=C(NC=C1)C=C2C3=C(C=CC(=C3C#CC4(CCNCC4)O)F)NC2=O","OIINJADYHQPDPP-OWBHPGMISA-N","9823288",NA,"PDBC49375","767263","Present"
-"NSC767264","","","","","","","","","","","","","","","","","","","","NSC767264","","CNC(CO)C#CC1=C(C=CC2=C1C(=CC3=C(C=CN3)OC)C(=O)N2)F","ZSPQUICTVOBVJJ-NASPGAHYSA-N","23645076",NA,"PDBC49376","767264","Present"
-"NSC767265","","","","","","","","","","","","","","","","","","","","NSC767265","","CC(C(C(C#CC1=C(C=CC2=C1C(=CC3=C(C=CN3)OC)C(=O)N2)F)O)N)O","RAKYKJWUUUKCCW-MPLBGYFPSA-N","5288222",NA,"PDBC49377","767265","Present"
-"NSC767266","","","","","","","","","","","","","","","","","","","","NSC767266","","C1=CC=C(C(=C1)C2=NC3=C(NN=C3NC4=C2C=C(C=C4)[N+](=O)[O-])C5=CN=CC=C5)Cl","DOLVPPZXPDLQMW-UHFFFAOYSA-N","136002526",NA,"PDBC49378","767266","Present"
-"NSC767270","","","","","","","","","","","","","","","","","","","","NSC767270","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN(C)C","FXGHOAZJQNLNFD-UHFFFAOYSA-N","5084",NA,"PDBC49379","767270","Present"
-"NSC767272","","","","","","","","","","","","","","","","","","","","NSC767272","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)C(=O)N)C","JDFHTCHKNZWWME-UHFFFAOYSA-N","5327688",NA,"PDBC49380","767272","Present"
-"NSC767273","","","","","","","","","","","","","","","","","","","","NSC767273","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)C(=O)O)C","BQVYRVFEBOGTBZ-UHFFFAOYSA-N","5327687",NA,"PDBC49381","767273","Present"
-"NSC767275","","","","","","","","","","","","","","","","","","","","NSC767275","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CN(CCN5C6=CC=CC=C64)C(=S)N","BTWNSUFXMWNHMU-UHFFFAOYSA-N","19696390",NA,"PDBC49382","767275","Present"
-"NSC767277","","","","","","","","","","","","","","","","","","","","NSC767277","","C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)OC3=O)C4=CNC5=CC=CC=C54","BEDSOEWYLAPDOL-UHFFFAOYSA-N","5327652",NA,"PDBC49383","767277","Present"
-"NSC767278","","","","","","","","","","","","","","","","","","","","NSC767278","","C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)N(C3=O)O)C4=CNC5=CC=CC=C54","STOYHVQKKWVYFE-UHFFFAOYSA-N","5327653",NA,"PDBC49384","767278","Present"
-"NSC767279","","","","","","","","","","","","","","","","","","","","NSC767279","","CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NCC4=CC=CC=C4","DLHWUMMMNDLTMS-HJOGWXRNSA-N","44277900",NA,"PDBC49385","767279","Present"
-"NSC767280","","","","","","","","","","","","","","","","","","","","NSC767280","","CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NCC4=CC=C(C=C4)O","YJUOBZFCQOGLRV-HJOGWXRNSA-N","44277503",NA,"PDBC49386","767280","Present"
-"NSC767281","","","","","","","","","","","","","","","","","","","","NSC767281","","CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NC4CCC5=CC=CC=C45","SAZHZYWFOUCQJC-MSMMDESQSA-N","44277575",NA,"PDBC49387","767281","Present"
-"NSC767282","","","","","","","","","","","","","","","","","","","","NSC767282","","CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NCC4=CC=CC5=CC=CC=C54","YLYKZZYZVCSJSA-KCHLEUMXSA-N","44277479",NA,"PDBC49388","767282","Present"
-"NSC767283","","","","","","","","","","","","","","","","","","","","NSC767283","","CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NC4=CC=CC5=CC=CC=C54","NNTWLSYHHZVTFH-QKDODKLFSA-N","44277576",NA,"PDBC49389","767283","Present"
-"NSC767284","","","","","","","","","","","","","","","","","","","","NSC767284","","CCCCCNC(=O)C1CCCN2N1C(=O)C(CCC2=O)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C","TZRGIFZYVSBSHA-FKBYEOEOSA-N","44277621",NA,"PDBC49390","767284","Present"
-"NSC767285","","","","","","","","","","","","","","","","","","","","NSC767285","","CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NCC4=CC=C(C=C4)Cl","DVKKBIFVWBEZOS-HJOGWXRNSA-N","44277458",NA,"PDBC49391","767285","Present"
-"NSC767286","","","","","","","","","","","","","","","","","","","","NSC767286","","CCNC(=O)C1CCCN2N1C(=O)C(CCC2=O)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C","XTEQBWJFOMITGP-FHWLQOOXSA-N","44277554",NA,"PDBC49392","767286","Present"
-"NSC767287","","","","","","","","","","","","","","","","","","","","NSC767287","","COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)OC3CCCNCC3NC(=O)C4=CC=NC=C4)F","VYPRIFLEMOQRJK-TZIWHRDSSA-N","657001",NA,"PDBC49393","767287","Present"
-"NSC767288","","","","","","","","","","","","","","","","","","","","NSC767288","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN(C)C","FXGHOAZJQNLNFD-KRWDZBQOSA-N","127757",NA,"PDBC49394","767288","Present"
-"NSC767290","","","","","","","","","","","","","","","","","","","","NSC767290","","C1=CNC(=C1)C2=C3C4=C(C=CC(=C4C(=C2)OCCO)F)NC3=O","UPPMBTMATLNYOX-UHFFFAOYSA-N","10267663",NA,"PDBC49395","767290","Present"
-"NSC767291","","","","","","","","","","","","","","","","","","","","NSC767291","","COC1=C(NC=C1)C=C2C3=C(C=CC(=C3N4CCC(C4)O)[N+](=O)[O-])NC2=O","AIDMUEJGKCTNDD-UBYNWHESSA-N","23645060",NA,"PDBC49396","767291","Present"
-"NSC767292","","","","","","","","","","","","","","","","","","","","NSC767292","","CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC5=C(C=C4)OCCO5)N","YGEYFDLYGXSZCP-UHFFFAOYSA-N","9911652",NA,"PDBC49397","767292","Present"
-"NSC767293","","","","","","","","","","","","","","","","","","","","NSC767293","","CC(C)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC(=CC=C4)OC)N","ULASOGJPQQFWKK-UHFFFAOYSA-N","9933545",NA,"PDBC49398","767293","Present"
-"NSC767295","","","","","","","","","","","","","","","","","","","","NSC767295","","C1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","DVLXTGOCPDWTOP-UHFFFAOYSA-N","11565393",NA,"PDBC49399","767295","Present"
-"NSC767297","","","","","","","","","","","","","","","","","","","","NSC767297","","C1COCCN1CC#CC2=CC=C(C=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","YKQSZSWWKSGNGQ-UHFFFAOYSA-N","11545890",NA,"PDBC49400","767297","Present"
-"NSC767298","","","","","","","","","","","","","","","","","","","","NSC767298","","C1=CC(=CC=C1C#N)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","WIONSZYEDDEDKQ-UHFFFAOYSA-N","11716469",NA,"PDBC49401","767298","Present"
-"NSC767299","","","","","","","","","","","","","","","","","","","","NSC767299","","C1COCCN1CC#CC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","ZLWMWZFWHRGJNK-UHFFFAOYSA-N","9953051",NA,"PDBC49402","767299","Present"
-"NSC767300","","","","","","","","","","","","","","","","","","","","NSC767300","","C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)C#N","MFQSMNKWWIQGSS-UHFFFAOYSA-N","11529613",NA,"PDBC49403","767300","Present"
-"NSC767301","","","","","","","","","","","","","","","","","","","","NSC767301","","C1COCCN1CCCC2=CC=C(C=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","IPBMAILATSMSGW-UHFFFAOYSA-N","11596656",NA,"PDBC49404","767301","Present"
-"NSC767302","","","","","","","","","","","","","","","","","","","","NSC767302","","C1COCCN1CCCC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","UGLOHEBRMNZKKE-UHFFFAOYSA-N","11640131",NA,"PDBC49405","767302","Present"
-"NSC767303","","","","","","","","","","","","","","","","","","","","NSC767303","","C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)C#CCO","ABLHKLIEDOTYMC-UHFFFAOYSA-N","11508284",NA,"PDBC49406","767303","Present"
-"NSC767304","","","","","","","","","","","","","","","","","","","","NSC767304","","C1=CC2=C(C(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)N=C1","DPGNJQAIOXNWEY-UHFFFAOYSA-N","11833097",NA,"PDBC49407","767304","Present"
-"NSC767305","","","","","","","","","","","","","","","","","","","","NSC767305","","CN1CCN(CC1)CC#CC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","YYVKSHPLTWCLMQ-UHFFFAOYSA-N","11647378",NA,"PDBC49408","767305","Present"
-"NSC767306","","","","","","","","","","","","","","","","","","","","NSC767306","","C1CCN(CC1)CC#CC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","IKBMSEBMUSHLHW-UHFFFAOYSA-N","11675748",NA,"PDBC49409","767306","Present"
-"NSC767307","","","","","","","","","","","","","","","","","","","","NSC767307","","C1COCCN1CCN2C3=C(C(=C2C4=CC=NC=C4)C5=CC=C(C=C5)F)N=CC=C3","POSGPOILCJXRFO-UHFFFAOYSA-N","11825589",NA,"PDBC49410","767307","Present"
-"NSC767308","","","","","","","","","","","","","","","","","","","","NSC767308","","CN(C)CC#CC1=CC(=CC=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","VGELWLMQVSZFKX-UHFFFAOYSA-N","22262790",NA,"PDBC49411","767308","Present"
-"NSC767309","","","","","","","","","","","","","","","","","","","","NSC767309","","CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","KJTRXVXWSSPHRV-UHFFFAOYSA-N","354929",NA,"PDBC49412","767309","Present"
-"NSC767310","","","","","","","","","","","","","","","","","","","","NSC767310","","CN1C2=C(C(=C1C3=CC=NC=C3)C4=CC=C(C=C4)F)N=CC=C2","SVHIOPOOPNXCLH-UHFFFAOYSA-N","11822822",NA,"PDBC49413","767310","Present"
-"NSC767311","","","","","","","","","","","","","","","","","","","","NSC767311","","C1=CC(=CC=C1C2=C(NC3=NC=CN=C23)C4=CC=NC=C4)F","LXTFKKVJJMDQNR-UHFFFAOYSA-N","11011717",NA,"PDBC49414","767311","Present"
-"NSC767312","","","","","","","","","","","","","","","","","","","","NSC767312","","C1=CC2=C(C(=C(N2CCO)C3=CC=NC=C3)C4=CC=C(C=C4)F)N=C1","XSXJOLWAPKFGRV-UHFFFAOYSA-N","10980521",NA,"PDBC49415","767312","Present"
-"NSC767313","","","","","","","","","","","","","","","","","","","","NSC767313","","CN1CCN(CC1)CCC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","NQXXPKVWKHCLEW-UHFFFAOYSA-N","11531595",NA,"PDBC49416","767313","Present"
-"NSC767314","","","","","","","","","","","","","","","","","","","","NSC767314","","C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)CCS(=O)(=O)N","PUBQBMIAESKDQT-UHFFFAOYSA-N","9908316",NA,"PDBC49417","767314","Present"
-"NSC767315","","","","","","","","","","","","","","","","","","","","NSC767315","","C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)C4=CN=CC=C4","MDPZNDLAGKIDFD-UHFFFAOYSA-N","9950664",NA,"PDBC49418","767315","Present"
-"NSC767316","","","","","","","","","","","","","","","","","","","","NSC767316","","CON=C(C1=CC=CC=C1)C2=C(N(N=C2)C3=CC=CC=C3)N","NQLYVDJYPPFYEQ-CAPFRKAQSA-N","11652236",NA,"PDBC49419","767316","Present"
-"NSC767317","","","","","","","","","","","","","","","","","","","","NSC767317","","C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)F)F)N)C4=CN=CC=C4","DGTYVNDZYOVKCN-UHFFFAOYSA-N","11689340",NA,"PDBC49420","767317","Present"
-"NSC767318","","","","","","","","","","","","","","","","","","","","NSC767318","","C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)C4=CC=NC=C4","FZARWELZTDACPC-UHFFFAOYSA-N","11624640",NA,"PDBC49421","767318","Present"
-"NSC767319","","","","","","","","","","","","","","","","","","","","NSC767319","","C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)F)F)N)C4=C[N+](=CC=C4)[O-]","DQRDCTDOZGNBTG-UHFFFAOYSA-N","11618088",NA,"PDBC49422","767319","Present"
-"NSC767320","","","","","","","","","","","","","","","","","","","","NSC767320","","C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)F)F)N)C4=CC=NC=C4","NZWFFENQMLVUIB-UHFFFAOYSA-N","9864447",NA,"PDBC49423","767320","Present"
-"NSC767321","","","","","","","","","","","","","","","","","","","","NSC767321","","C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)C(CO)O","NETMPCVQLSKQCS-UHFFFAOYSA-N","9949860",NA,"PDBC49424","767321","Present"
-"NSC767322","","","","","","","","","","","","","","","","","","","","NSC767322","","C1CCC(C1)(CCC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N)O","BSNOOUBZAZNTTC-UHFFFAOYSA-N","11718141",NA,"PDBC49425","767322","Present"
-"NSC767323","","","","","","","","","","","","","","","","","","","","NSC767323","","CC(C)(CCC1=CC(=CC=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)O","VYZNEDVUQBPGQA-UHFFFAOYSA-N","11660643",NA,"PDBC49426","767323","Present"
-"NSC767324","","","","","","","","","","","","","","","","","","","","NSC767324","","C1=CC(=CC(=C1)OCC(CO)O)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","IJDQETGUEUJVTB-HNNXBMFYSA-N","5327067",NA,"PDBC49427","767324","Present"
-"NSC767325","","","","","","","","","","","","","","","","","","","","NSC767325","","CS(=O)(=O)CCC1=CC(=CC=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","FAOCNBXKNCERRY-UHFFFAOYSA-N","11552798",NA,"PDBC49428","767325","Present"
-"NSC767326","","","","","","","","","","","","","","","","","","","","NSC767326","","C1=CC(=CC(=C1)C(CO)(CO)O)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","KQHTUTITZRQSRT-UHFFFAOYSA-N","11530816",NA,"PDBC49429","767326","Present"
-"NSC767327","","","","","","","","","","","","","","","","","","","","NSC767327","","C1=CC(=CN=C1)C2=CC=C(C=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","KSUBRNWNBRUYKF-UHFFFAOYSA-N","11602903",NA,"PDBC49430","767327","Present"
-"NSC767328","","","","","","","","","","","","","","","","","","","","NSC767328","","CC(CO)NC1=NC=CC(=C1)C2=C(C3=C(N2)C=CC=N3)C4=CC=C(C=C4)F","NPHRPHMHAOPRTH-UHFFFAOYSA-N","11068448",NA,"PDBC49431","767328","Present"
-"NSC767329","","","","","","","","","","","","","","","","","","","","NSC767329","","CC(CNC1=NC=CC(=C1)C2=C(C3=C(N2)C=CC=N3)C4=CC=C(C=C4)F)O","KCXCFBQZWGUDQC-ZDUSSCGKSA-N","9863786",NA,"PDBC49432","767329","Present"
-"NSC767330","","","","","","","","","","","","","","","","","","","","NSC767330","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OCC(CO)O","PERSXWGSHFVFIB-AWEZNQCLSA-N","70119441",NA,"PDBC49433","767330","Present"
-"NSC767331","","","","","","","","","","","","","","","","","","","","NSC767331","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=C(C=C4)OC)OC","BUSSOWPXBXFBJR-UHFFFAOYSA-N","46880909",NA,"PDBC49434","767331","Present"
-"NSC767332","","","","","","","","","","","","","","","","","","","","NSC767332","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=C(C=C4)OCC(CO)O","PHNFWGLVOFLFPI-AWEZNQCLSA-N","127054512",NA,"PDBC49435","767332","Present"
-"NSC767333","","","","","","","","","","","","","","","","","","","","NSC767333","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=CC(=C4)OC)OC","ZGVVZGASZMNLFQ-UHFFFAOYSA-N","46880910",NA,"PDBC49436","767333","Present"
-"NSC767334","","","","","","","","","","","","","","","","","","","","NSC767334","","CC1=C(C2=CC=CC=C2N1C)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","XRPAAPKYUKNKSM-UHFFFAOYSA-N","46880257",NA,"PDBC49437","767334","Present"
-"NSC767335","","","","","","","","","","","","","","","","","","","","NSC767335","","CN1C=C(C2=C1C=CC(=C2)Cl)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","AKGYFGPTGCPJOY-UHFFFAOYSA-N","46880300",NA,"PDBC49438","767335","Present"
-"NSC767336","","","","","","","","","","","","","","","","","","","","NSC767336","","CN1C=C(C2=C1C=C(C=C2)F)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","ARSCWVMYFYXWGC-UHFFFAOYSA-N","46880299",NA,"PDBC49439","767336","Present"
-"NSC767337","","","","","","","","","","","","","","","","","","","","NSC767337","","CN1C=C(C2=C1C=CC=C2OC)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","IKKUZIHEYPKQFA-UHFFFAOYSA-N","46880302",NA,"PDBC49440","767337","Present"
-"NSC767338","","","","","","","","","","","","","","","","","","","","NSC767338","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)SC4=CC=CC=C4","BLXHUSFCTBUDQK-UHFFFAOYSA-N","46880948",NA,"PDBC49441","767338","Present"
-"NSC767339","","","","","","","","","","","","","","","","","","","","NSC767339","","CC1=C2C(=CC=C1)C(=CN2C)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","DWOJDNNVYUAOMW-UHFFFAOYSA-N","127054513",NA,"PDBC49442","767339","Present"
-"NSC767340","","","","","","","","","","","","","","","","","","","","NSC767340","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)OC4=CC=CC=C4","LCCWTRVDSLFZQZ-UHFFFAOYSA-N","46880254",NA,"PDBC49443","767340","Present"
-"NSC767341","","","","","","","","","","","","","","","","","","","","NSC767341","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)NC4=CC=CC=C4","JJNQVVXLJXQVLY-UHFFFAOYSA-N","46880949",NA,"PDBC49444","767341","Present"
-"NSC767342","","","","","","","","","","","","","","","","","","","","NSC767342","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)N4CCOCC4","OOVOLEKZFUHXFK-UHFFFAOYSA-N","46880256",NA,"PDBC49445","767342","Present"
-"NSC767343","","","","","","","","","","","","","","","","","","","","NSC767343","","CN1C2=NC(=NC=C2C=C(C1=O)C3=CC=CC=C3Cl)NC4CCOCC4","QJTIXJPBVMBZGE-UHFFFAOYSA-N","23551786",NA,"PDBC49446","767343","Present"
-"NSC767344","","","","","","","","","","","","","","","","","","","","NSC767344","","CN1C=C(C2=C1C=CC(=C2)Cl)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)NCC(CO)O","ZFJJSMUJXGVEEW-UHFFFAOYSA-N","12018155",NA,"PDBC49447","767344","Present"
-"NSC767345","","","","","","","","","","","","","","","","","","","","NSC767345","","CN1C2=NC(=NC=C2C=C(C1=O)OC3=CC=CC=C3)NC4CCOCC4","MQCPQHIQHJWGCZ-UHFFFAOYSA-N","23434577",NA,"PDBC49448","767345","Present"
-"NSC767346","","","","","","","","","","","","","","","","","","","","NSC767346","","CN1C2=NC(=NC=C2C=C(C1=O)OC3=CC(=CC=C3)F)NC4CCOCC4","DTFPTUUNNFBXGC-UHFFFAOYSA-N","23434573",NA,"PDBC49449","767346","Present"
-"NSC767347","","","","","","","","","","","","","","","","","","","","NSC767347","","CN1C2=NC(=NC=C2C=C(C1=O)OC3=CC=CC=C3F)NC4CCOCC4","VJXNYZFUSWOVCO-UHFFFAOYSA-N","20626953",NA,"PDBC49450","767347","Present"
-"NSC767348","","","","","","","","","","","","","","","","","","","","NSC767348","","CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4","KKKRKRMVJRHDMG-UHFFFAOYSA-N","11406590",NA,"PDBC49451","767348","Present"
-"NSC767349","","","","","","","","","","","","","","","","","","","","NSC767349","","CN1C2=NC(=NC=C2C=C(C1=O)OC3=CC=C(C=C3)F)NC4CCOCC4","QRRNCBGQEYKNJL-UHFFFAOYSA-N","20626977",NA,"PDBC49452","767349","Present"
-"NSC767350","","","","","","","","","","","","","","","","","","","","NSC767350","","CN1C2=NC(=NC=C2C=C(C1=O)CC3=CC=CC=C3F)NC4CCOCC4","MEQQGUQIYFTMKE-UHFFFAOYSA-N","23434654",NA,"PDBC49453","767350","Present"
-"NSC767351","","","","","","","","","","","","","","","","","","","","NSC767351","","CC(C)(CO)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F","JKNVMEDXAYWIMH-UHFFFAOYSA-N","20626846",NA,"PDBC49454","767351","Present"
-"NSC767352","","","","","","","","","","","","","","","","","","","","NSC767352","","CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCC(CC4)O","QXBFECQVSFWIBC-UHFFFAOYSA-N","20626915",NA,"PDBC49455","767352","Present"
-"NSC767353","","","","","","","","","","","","","","","","","","","","NSC767353","","CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCS(=O)(=O)CC4","GJXDFKISKKIETP-UHFFFAOYSA-N","23434580",NA,"PDBC49456","767353","Present"
-"NSC767354","","","","","","","","","","","","","","","","","","","","NSC767354","","CN1C2=NC(=NC=C2C=C(C1=O)CC3=C(C=C(C=C3)F)F)NC4CCOCC4","CXVKBXOZBZAXOY-UHFFFAOYSA-N","20626917",NA,"PDBC49457","767354","Present"
-"NSC767355","","","","","","","","","","","","","","","","","","","","NSC767355","","CC(C)(CNC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F)O","GEXRMYURKXTGJO-UHFFFAOYSA-N","20626848",NA,"PDBC49458","767355","Present"
-"NSC767356","","","","","","","","","","","","","","","","","","","","NSC767356","","CC(C)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F","HAVJVJFXQRMACG-UHFFFAOYSA-N","44517631",NA,"PDBC49459","767356","Present"
-"NSC767357","","","","","","","","","","","","","","","","","","","","NSC767357","","CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NCCS(=O)(=O)C","IEXCFWHFWVDOIE-UHFFFAOYSA-N","52936612",NA,"PDBC49460","767357","Present"
-"NSC767358","","","","","","","","","","","","","","","","","","","","NSC767358","","CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC(CO)CO","RUQQUIWSECIWQA-UHFFFAOYSA-N","52936523",NA,"PDBC49461","767358","Present"
-"NSC767359","","","","","","","","","","","","","","","","","","","","NSC767359","","C1COCCC1NC2=NC=C3C=C(C(=O)NC3=N2)OC4=C(C=C(C=C4)F)F","GJWGTSBLEHCCCO-UHFFFAOYSA-N","52937134",NA,"PDBC49462","767359","Present"
-"NSC767360","","","","","","","","","","","","","","","","","","","","NSC767360","","CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOC4","OLSXDVFWIMYFGF-GFCCVEGCSA-N","155813183",NA,"PDBC49463","767360","Present"
-"NSC767361","","","","","","","","","","","","","","","","","","","","NSC767361","","CC1=CC(=NC2=C1C3=C(S2)C(=NC=N3)N)C","JZSWBZHJDCDLHK-UHFFFAOYSA-N","695484",NA,"PDBC49464","767361","Present"
-"NSC767362","","","","","","","","","","","","","","","","","","","","NSC767362","","CC1=C(C2=C(N=C1C)SC3=C2N=CN=C3N)C","ZHOGWCBNPGYLOR-UHFFFAOYSA-N","702319",NA,"PDBC49465","767362","Present"
-"NSC767363","","","","","","","","","","","","","","","","","","","","NSC767363","","CCN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4","XAMCPYSMGWIPDA-UHFFFAOYSA-N","23434538",NA,"PDBC49466","767363","Present"
-"NSC767364","","","","","","","","","","","","","","","","","","","","NSC767364","","COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4)F","KGSQEYHTCBVKAX-PMACEKPBSA-N","155814755",NA,"PDBC49467","767364","Present"
-"NSC767365","","","","","","","","","","","","","","","","","","","","NSC767365","","COC1=CC=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCC(C4)O)NC5=CC=CC=C5","NDEFXZOKPREYOV-WOJBJXKFSA-N","9910609",NA,"PDBC49468","767365","Present"
-"NSC767366","","","","","","","","","","","","","","","","","","","","NSC767366","","C1CC1N2C3=NC(=NC=C3C=C(C2=O)OC4=C(C=C(C=C4)F)F)NC5CCOCC5","BJYSBGCEJCKTCI-UHFFFAOYSA-N","20626900",NA,"PDBC49469","767366","Present"
-"NSC767367","","","","","","","","","","","","","","","","","","","","NSC767367","","C1=CC=C(C=C1)CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","AIMKWBLBSPOZKY-PDGQHHTCSA-N","135495115",NA,"PDBC49470","767367","Present"
-"NSC767368","","","","","","","","","","","","","","","","","","","","NSC767368","","C1COCCC1NC2=NC=C3C=C(C(=O)N(C3=N2)CCCO)OC4=C(C=C(C=C4)F)F","QGGZWYGKNAFHCN-UHFFFAOYSA-N","11259005",NA,"PDBC49471","767368","Present"
-"NSC767369","","","","","","","","","","","","","","","","","","","","NSC767369","","C1=CC=C(C=C1)N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","QNGJYVOEOMSOMB-ATVHPVEESA-N","135950073",NA,"PDBC49472","767369","Present"
-"NSC767370","","","","","","","","","","","","","","","","","","","","NSC767370","","C1=CC=C(C=C1)CCCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","XXTBGCDIWGVPDV-HKWRFOASSA-N","135950075",NA,"PDBC49473","767370","Present"
-"NSC767371","","","","","","","","","","","","","","","","","","","","NSC767371","","CCC1=C(C2=C(N=C1C)SC3=C2N=CN=C3N)C","YBUNMPDOPJOUFZ-UHFFFAOYSA-N","25190900",NA,"PDBC49474","767371","Present"
-"NSC767372","","","","","","","","","","","","","","","","","","","","NSC767372","","COC1=CC=C(C=C1)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","VNOYIPYTNHSABI-ZHZULCJRSA-N","135424857",NA,"PDBC49475","767372","Present"
-"NSC767373","","","","","","","","","","","","","","","","","","","","NSC767373","","C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCCC4=CC=C(C=C4)Cl)S3)N=C1","NIVFASQWEKUFIZ-UYRXBGFRSA-N","135950080",NA,"PDBC49476","767373","Present"
-"NSC767375","","","","","","","","","","","","","","","","","","","","NSC767375","","C1=CC=C(C(=C1)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)Cl","LPEVMUNFDQCTIL-UYRXBGFRSA-N","135950083",NA,"PDBC49477","767375","Present"
-"NSC767376","","","","","","","","","","","","","","","","","","","","NSC767376","","CCOC1=CC=CC=C1CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","CICPDYLQPUYZLT-QNGOZBTKSA-N","135428197",NA,"PDBC49478","767376","Present"
-"NSC767377","","","","","","","","","","","","","","","","","","","","NSC767377","","COC1=CC=CC=C1CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","AFDVSCYTWJLQJA-UNOMPAQXSA-N","135467112",NA,"PDBC49479","767377","Present"
-"NSC767378","","","","","","","","","","","","","","","","","","","","NSC767378","","COC1=CC=CC=C1CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","VRZOESAUIOIKQL-ZHZULCJRSA-N","135487537",NA,"PDBC49480","767378","Present"
-"NSC767380","","","","","","","","","","","","","","","","","","","","NSC767380","","C1=CC=C(C(=C1)CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)Cl","JTORONFPLIPVEU-WQRHYEAKSA-N","135950084",NA,"PDBC49481","767380","Present"
-"NSC767381","","","","","","","","","","","","","","","","","","","","NSC767381","","C1=CC=C(C(=C1)CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)Br","XSFKFRVDUVPUNW-WQRHYEAKSA-N","135950085",NA,"PDBC49482","767381","Present"
-"NSC767382","","","","","","","","","","","","","","","","","","","","NSC767382","","C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCCC4=CC=C(C=C4)Br)S3)N=C1","AZRZKTBHXBHQRK-UYRXBGFRSA-N","135950081",NA,"PDBC49483","767382","Present"
-"NSC767384","","","","","","","","","","","","","","","","","","","","NSC767384","","C1=CC(=CC(=C1)F)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","BIXMIBMPGWMDNN-UYRXBGFRSA-N","135950078",NA,"PDBC49484","767384","Present"
-"NSC767385","","","","","","","","","","","","","","","","","","","","NSC767385","","C1=CC=NC(=C1)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","CVMMOMQBQMKTKV-AQTBWJFISA-N","135950076",NA,"PDBC49485","767385","Present"
-"NSC767386","","","","","","","","","","","","","","","","","","","","NSC767386","","C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCCC4=CC=CS4)S3)N=C1","CCDRMKVPDCRBEF-ATVHPVEESA-N","135428190",NA,"PDBC49486","767386","Present"
-"NSC767388","","","","","","","","","","","","","","","","","","","","NSC767388","","C1=CC2=C(C=CC(=C2)C=C3C(=N)N=C(S3)N)N=C1","GWQSGAGQMMZJPB-XFFZJAGNSA-N","155808495",NA,"PDBC49487","767388","Present"
-"NSC767390","","","","","","","","","","","","","","","","","","","","NSC767390","","COC1=CC=CC=C1C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C","VIIIAPSCTBJJNE-UHFFFAOYSA-N","10319097",NA,"PDBC49488","767390","Present"
-"NSC767391","","","","","","","","","","","","","","","","","","","","NSC767391","","COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C","CXGFHBJFQBWPBO-UHFFFAOYSA-N","9979700",NA,"PDBC49489","767391","Present"
-"NSC767392","","","","","","","","","","","","","","","","","","","","NSC767392","","C1=CC=C(C=C1)C(CO)N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","CYEVBLXFLGQSPY-IZILLXMLSA-N","136018621",NA,"PDBC49490","767392","Present"
-"NSC767393","","","","","","","","","","","","","","","","","","","","NSC767393","","C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)N)N=C1","GWSGFSPSQGXVFI-XFFZJAGNSA-N","2337532",NA,"PDBC49491","767393","Present"
-"NSC767394","","","","","","","","","","","","","","","","","","","","NSC767394","","C1=CC=C(C=C1)C(CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)CO","QEKBEGHSZUAPOY-NDENLUEZSA-N","135400835",NA,"PDBC49492","767394","Present"
-"NSC767395","","","","","","","","","","","","","","","","","","","","NSC767395","","COC1=CC(=C(C=C1C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C)F)F","VPHNNRKBCWFFKK-UHFFFAOYSA-N","11975206",NA,"PDBC49493","767395","Present"
-"NSC767396","","","","","","","","","","","","","","","","","","","","NSC767396","","COCC(C1=CC=CC=C1)N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","BDJNDWUIRNBXQL-PQDCBLBRSA-N","155806686",NA,"PDBC49494","767396","Present"
-"NSC767398","","","","","","","","","","","","","","","","","","","","NSC767398","","C1=CC(=C(C(=C1)Cl)CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)Cl","XBHJBHUDONLGFW-ZDLGFXPLSA-N","135950086",NA,"PDBC49495","767398","Present"
-"NSC767399","","","","","","","","","","","","","","","","","","","","NSC767399","","COC1=CC(=C(C(=C1C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C)F)F)F","AAOLDQJTTACKSD-UHFFFAOYSA-N","10479319",NA,"PDBC49496","767399","Present"
-"NSC767400","","","","","","","","","","","","","","","","","","","","NSC767400","","COC1=C(C(=CC=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C","NWIPTENCWQPQTO-UHFFFAOYSA-N","11743030",NA,"PDBC49497","767400","Present"
-"NSC767401","","","","","","","","","","","","","","","","","","","","NSC767401","","C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=O)S3)N=C1","CBNBVOIOQAFDLQ-XFFZJAGNSA-N","11608563",NA,"PDBC49498","767401","Present"
-"NSC767402","","","","","","","","","","","","","","","","","","","","NSC767402","","CC(=C1C(=O)NC(=NCC2=CC=CS2)S1)C3=CC4=C(C=C3)N=CC=C4","WFZSEALEOVOIOQ-SFQUDFHCSA-N","155811615",NA,"PDBC49499","767402","Present"
-"NSC767403","","","","","","","","","","","","","","","","","","","","NSC767403","","CON=C1NC(=O)C(=CC2=CC3=C(C=C2)N=CC=C3)S1","HUBFHDCOBSCSRE-WQLSENKSSA-N","155805351",NA,"PDBC49500","767403","Present"
-"NSC767405","","","","","","","","","","","","","","","","","","","","NSC767405","","C1=CC2=C(C=CC(=C2)CC3C(=O)NC(=NCC4=CC=CS4)S3)N=C1","BUUQBHNRGXTWON-UHFFFAOYSA-N","136152806",NA,"PDBC49501","767405","Present"
-"NSC767406","","","","","","","","","","","","","","","","","","","","NSC767406","","C1=CC=NC(=C1)CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","VUMVELURNGOAFL-BOPFTXTBSA-N","135407456",NA,"PDBC49502","767406","Present"
-"NSC767407","","","","","","","","","","","","","","","","","","","","NSC767407","","C1C(C1N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)C5=CC=CC=C5","FITGAYHGSUWBQP-VBNMPBEYSA-N","135611170",NA,"PDBC49503","767407","Present"
-"NSC767408","","","","","","","","","","","","","","","","","","","","NSC767408","","CS(=O)(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=C(C=CC=C3F)F","SZDPBHAPNGSXHF-UHFFFAOYSA-N","11975075",NA,"PDBC49504","767408","Present"
-"NSC767409","","","","","","","","","","","","","","","","","","","","NSC767409","","C1=CC=C(C=C1)C(CO)N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","CYEVBLXFLGQSPY-GEBKJHSDSA-N","136018610",NA,"PDBC49505","767409","Present"
-"NSC767410","","","","","","","","","","","","","","","","","","","","NSC767410","","CN1C2=NC(=NC=C2C=C(C1=O)SC3=CC=CC=C3F)NC4CCOCC4","SXTGUPPCGSPCRE-UHFFFAOYSA-N","52937032",NA,"PDBC49506","767410","Present"
-"NSC767411","","","","","","","","","","","","","","","","","","","","NSC767411","","CS(=O)(=O)CCN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4","GQLMLWYYGKIBSM-UHFFFAOYSA-N","52937135",NA,"PDBC49507","767411","Present"
-"NSC767412","","","","","","","","","","","","","","","","","","","","NSC767412","","CS(=O)(=O)CCCN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4","JJBGSJULKAXNLC-UHFFFAOYSA-N","52937136",NA,"PDBC49508","767412","Present"
-"NSC767413","","","","","","","","","","","","","","","","","","","","NSC767413","","C1COCCC1NC2=NC=C3C=C(C(=O)N(C3=N2)C4CCS(=O)(=O)CC4)OC5=C(C=C(C=C5)F)F","NTUGSSWCMOUDCK-UHFFFAOYSA-N","52937239",NA,"PDBC49509","767413","Present"
-"NSC767414","","","","","","","","","","","","","","","","","","","","NSC767414","","CC(C)(CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4)O","OEDPZABCSWCOMJ-UHFFFAOYSA-N","52937240",NA,"PDBC49510","767414","Present"
-"NSC767415","","","","","","","","","","","","","","","","","","","","NSC767415","","C1COCCC1NC2=NC=C3C=C(C(=O)N(C3=N2)CC#N)OC4=C(C=C(C=C4)F)F","VMRGPSZYAXRWQY-UHFFFAOYSA-N","52937242",NA,"PDBC49511","767415","Present"
-"NSC767416","","","","","","","","","","","","","","","","","","","","NSC767416","","CC(=O)N1CCC(CC1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)OC4=C(C=C(C=C4)F)F","QKDFZWOIJPKRGR-UHFFFAOYSA-N","52936613",NA,"PDBC49512","767416","Present"
-"NSC767417","","","","","","","","","","","","","","","","","","","","NSC767417","","CC(CS(=O)(=O)C)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F","DVEYHFXOGUYFBU-JTQLQIEISA-N","44517629",NA,"PDBC49513","767417","Present"
-"NSC767418","","","","","","","","","","","","","","","","","","","","NSC767418","","CS(=O)(=O)N1CCC(CC1)N2C3=NC(=NC=C3C=C(C2=O)OC4=C(C=C(C=C4)F)F)NC5CCOCC5","ASOVUAMIHHQHJF-UHFFFAOYSA-N","52937243",NA,"PDBC49514","767418","Present"
-"NSC767419","","","","","","","","","","","","","","","","","","","","NSC767419","","CC(CN1N=CN=N1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)OC4=C(C=C(C=C4)F)F","WIGNNIARPGHXFO-SNVBAGLBSA-N","44517632",NA,"PDBC49515","767419","Present"
-"NSC767420","","","","","","","","","","","","","","","","","","","","NSC767420","","CC(C1=CC=CC=C1)C(C(=O)NC2=C(C=C(C=C2)I)F)N3C(=O)C(NC3=O)C4=CC=C(C=C4)OCC(CO)O","MEPDJWRMAAUPBM-CFWMINRKSA-N","155808496",NA,"PDBC49516","767420","Present"
-"NSC767421","","","","","","","","","","","","","","","","","","","","NSC767421","","CNC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F","OZULYIIGBMRTMW-UHFFFAOYSA-N","52937244",NA,"PDBC49517","767421","Present"
-"NSC767422","","","","","","","","","","","","","","","","","","","","NSC767422","","C1COCCN1CCOC2=CC=CC(=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","AZPXSGWGNRAGOU-UHFFFAOYSA-N","9931377",NA,"PDBC49518","767422","Present"
-"NSC767423","","","","","","","","","","","","","","","","","","","","NSC767423","","CC(CS(=O)(=O)C)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F","DVEYHFXOGUYFBU-SNVBAGLBSA-N","44517630",NA,"PDBC49519","767423","Present"
-"NSC767424","","","","","","","","","","","","","","","","","","","","NSC767424","","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OCC(CO)O","PERSXWGSHFVFIB-UHFFFAOYSA-N","18403565",NA,"PDBC49520","767424","Present"
-"NSC767478","","","","","","","","","","","","","","","","","","","","NSC767478","","","","",NA,"PDBC49521","767478","Present"
-"NSC767479","","","","","","","","","","","","","","","","","","","","NSC767479","","","","",NA,"PDBC49522","767479","Present"
-"NSC767481","","","","","","","","","","","","","","","","","","","","NSC767481","","CCCCCCCCOC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)CCN)C)OC(=O)CCN)OC(=O)CCN)C","HIJPMFMEERGVMN-OAVQDTFMSA-N","10723663",NA,"PDBC49523","767481","Present"
-"NSC767483","","","","","","","","","","","","","","","","","","","","NSC767483","","CCCCCN(CCCCC)CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCCN)C)OCCCN)OCCCN)C","WJTLOVQDZWPCSK-KFQGXTKGSA-N","71504623",NA,"PDBC49524","767483","Present"
-"NSC767484","","","","","","","","","","","","","","","","","","","","NSC767484","","CCCCCCCCCCCCCCCCNCCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCCN)C)OCCCN)OCCCN)C","LVXOMFMVNUAJBN-BETVSVEESA-N","76900455",NA,"PDBC49525","767484","Present"
-"NSC767513","","","","","","","","","","","","","","","","","","","","NSC767513","","COC1=CC=C(C=C1)C=C2C(=O)N3C(=CSC3=N2)N","FHGBYFRVRIHWPR-POHAHGRESA-N","155808499",NA,"PDBC49526","767513","Present"
-"NSC767570","","","","","","","","","","","","","","","","","","","","NSC767570","","C1C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)CN1S(=O)(=O)C4=CC=CC=C4","XGWDDGYOTHOLBM-XOBNHNQQSA-N","90667669",NA,"PDBC49527","767570","Present"
-"NSC767574","","","","","","","","","","","","","","","","","","","","NSC767574","","CCN(CC)CCCC(C)NC(=C1C(=C(C2=CC(=CC=C2)OC)NC(C)CCCN(CC)CC)C(=O)[N-]C1=O)C3=CC(=CC=C3)OC.[Na+]","XKABGTFRWJUBRV-UHFFFAOYSA-M","155809828",NA,"PDBC49528","767574","Present"
-"NSC767641","","","","","","","","","","","","","","","","","","","","NSC767641","","CC1=NN(C2=C1N=C3C(=N2)NC(N4C3=NCC4)C5=CC=C(C=C5)Cl)C6=CC=CC=C6","HXCVSZXKBGRVAT-UHFFFAOYSA-N","155805356",NA,"PDBC49529","767641","Present"
-"NSC767642","","","","","","","","","","","","","","","","","","","","NSC767642","","CC1=NN(C2=NC3=NC(=NC(=C3C(=C12)C4=CC=C(C=C4)OC)N)C5=CC=NC=C5)C6=CC=CC=C6","KLTVWHDTYTYXNR-UHFFFAOYSA-N","155808500",NA,"PDBC49530","767642","Present"
-"NSC767647","","","","","","","","","","","","","","","","","","","","NSC767647","","CC1=CC=C(C=C1)C2=C3C(=NN(C3=NC4=NC(=NC(=C24)N)C5=CC=NC=C5)C6=CC=CC=C6)C","VCSOPYRAMLLXBD-UHFFFAOYSA-N","155805360",NA,"PDBC49531","767647","Present"
-"NSC767650","","","","","","","","","","","","","","","","","","","","NSC767650","","CN1C(=O)C2=C(N=C3C(=N2)C(=O)C4=CC=CC=C4C3=O)N=C1SC","LFWGMTQWABHFPN-UHFFFAOYSA-N","155814760",NA,"PDBC49532","767650","Present"
-"NSC767658","","","","","","","","","","","","","","","","","","","","NSC767658","","CC1=CC=C(C=C1)C2=C3C(=NN(C3=NC4=NC5=C(CCC5)C(=C24)N)C6=CC=CC=C6)C","HVHHMLUWRJLVHA-UHFFFAOYSA-N","122377737",NA,"PDBC49533","767658","Present"
-"NSC767767","","","","","","","","","","","","","","","","","","","","NSC767767","","C1=CC(=CC=C1C2=NN(C(=O)C=C2)C3=CC=C(C=C3)S(=O)(=O)N)Br","WNJFYNRNBYCFGQ-UHFFFAOYSA-N","127025177",NA,"PDBC49534","767767","Present"
-"NSC767772","","","","","","","","","","","","","","","","","","","","NSC767772","","CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC4(CCCCC4)O)OC)OC","HMZPRWGJBZDAHN-UHFFFAOYSA-N","155816282",NA,"PDBC49535","767772","Present"
-"NSC767774","","","","","","","","","","","","","","","","","","","","NSC767774","","CN(C)CC1CC2=CC(=C(C=C2C3=CC(=C(C=C13)OC)OC)OC)OC","AZLLNRQTMBVAIY-UHFFFAOYSA-N","155811628",NA,"PDBC49536","767774","Present"
-"NSC767776","","","","","","","","","","","","","","","","","","","","NSC767776","","CC#CC1=NC2=CC=CC=C2C(=N1)NC3=NNC(=C3)C","SRGKXNYHOPTIJT-UHFFFAOYSA-N","155809839",NA,"PDBC49537","767776","Present"
-"NSC767781","","","","","","","","","","","","","","","","","","","","NSC767781","","CCCCCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC4=CC=C(C=C4)Cl)C","GFMAGLUIIRRGQY-MYYYXRDXSA-N","155814764",NA,"PDBC49538","767781","Present"
-"NSC767782","","","","","","","","","","","","","","","","","","","","NSC767782","","CCCCCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC4=CC=CC=C4)C","AUBANKFMHKEWTH-XYGWBWBKSA-N","155816283",NA,"PDBC49539","767782","Present"
-"NSC767783","","","","","","","","","","","","","","","","","","","","NSC767783","","CCCCCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC4=CC=C(C=C4)OC)C","PYDNXNARGKEQDC-QQXSKIMKSA-N","155809840",NA,"PDBC49540","767783","Present"
-"NSC767784","","","","","","","","","","","","","","","","","","","","NSC767784","","CCCCCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OCC4=CC=CC=C4)C","BQOIEDOSLXOHSO-QQXSKIMKSA-N","155813201",NA,"PDBC49541","767784","Present"
-"NSC767796","","","","","","","","","","","","","","","","","","","","NSC767796","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C=O","JUWFVCNTLKQYST-UHFFFAOYSA-N","155808509",NA,"PDBC49542","767796","Present"
-"NSC767797","","","","","","","","","","","","","","","","","","","","NSC767797","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)CF","BFUVRCCQBREIKJ-UHFFFAOYSA-N","155816284",NA,"PDBC49543","767797","Present"
-"NSC767798","","","","","","","","","","","","","","","","","","","","NSC767798","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C(F)F","UGGXXZGNPKEQIG-UHFFFAOYSA-N","155806693",NA,"PDBC49544","767798","Present"
-"NSC767799","","","","","","","","","","","","","","","","","","","","NSC767799","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C(=NO)N","FLBDYPSCVKCYSY-UHFFFAOYSA-N","155816285",NA,"PDBC49545","767799","Present"
-"NSC767800","","","","","","","","","","","","","","","","","","","","NSC767800","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C4=NNN=N4","FTQVUFDGNWNXAL-UHFFFAOYSA-N","155816286",NA,"PDBC49546","767800","Present"
-"NSC767801","","","","","","","","","","","","","","","","","","","","NSC767801","","CSCC1=NC=C(C(=N1)NC2CCCCCC2)C3=CC=C(C=C3)C(F)(F)F","FDFKVPXDBVJGLF-UHFFFAOYSA-N","155805365",NA,"PDBC49547","767801","Present"
-"NSC767802","","","","","","","","","","","","","","","","","","","","NSC767802","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)N=[N+]=[N-]","SDYSLQBFJHSAFJ-UHFFFAOYSA-N","155811629",NA,"PDBC49548","767802","Present"
-"NSC767803","","","","","","","","","","","","","","","","","","","","NSC767803","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)CC#N","PQGNLGKCJUGCGO-UHFFFAOYSA-N","155816287",NA,"PDBC49549","767803","Present"
-"NSC767805","","","","","","","","","","","","","","","","","","","","NSC767805","","CC(C)OP(=O)(C1=NC=C(C(=N1)NC2CCCCCC2)C3=CC=C(C=C3)C(F)(F)F)OC(C)C","ATKYYXVCLIPHEZ-UHFFFAOYSA-N","155809841",NA,"PDBC49550","767805","Present"
-"NSC767806","","","","","","","","","","","","","","","","","","","","NSC767806","","CC(C)CNC1=NC(=NC(=N1)N=[N+]=[N-])NCC(C)C","MNAWKPPTQJZNQI-UHFFFAOYSA-N","155811630",NA,"PDBC49551","767806","Present"
-"NSC767807","","","","","","","","","","","","","","","","","","","","NSC767807","","C1CCC(C1)NC2=NC(=NC(=N2)Cl)SC3=CC=C(C=C3)[N+](=O)[O-]","IJGQPDIBVFFHOD-UHFFFAOYSA-N","155809842",NA,"PDBC49552","767807","Present"
-"NSC767808","","","","","","","","","","","","","","","","","","","","NSC767808","","CNC1=NC(=NC(=N1)SC2=CC=C(C=C2)OC)NC3CCCC3","BFMBYDIEWXMZPE-UHFFFAOYSA-N","155806694",NA,"PDBC49553","767808","Present"
-"NSC767824","","","","","","","","","","","","","","","","","","","","NSC767824","","CC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","YZPUIASTUNJSST-HOTGVXAUSA-N","118727526",NA,"PDBC49554","767824","Present"
-"NSC767825","","","","","","","","","","","","","","","","","","","","NSC767825","","CN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","IXDYLFIBMWUYFK-VXKWHMMOSA-N","118727522",NA,"PDBC49555","767825","Present"
-"NSC767826","","","","","","","","","","","","","","","","","","","","NSC767826","","CCC(C)C(C(=O)NC(CC1=CN(C=N1)C)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","SPQUORMVUISNHB-MIIWOSQWSA-N","155811631",NA,"PDBC49556","767826","Present"
-"NSC767827","","","","","","","","","","","","","","","","","","","","NSC767827","","CCN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(C(C)C)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","WSTUTEWHQBRCEZ-ROUUACIJSA-N","118727524",NA,"PDBC49557","767827","Present"
-"NSC767828","","","","","","","","","","","","","","","","","","","","NSC767828","","CCN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(CCCCNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","JWBCKODSJMCGNX-DQEYMECFSA-N","155809843",NA,"PDBC49558","767828","Present"
-"NSC767830","","","","","","","","","","","","","","","","","","","","NSC767830","","CC(C)C(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","QLPMRGSIUZZVLO-GOTSBHOMSA-N","155805367",NA,"PDBC49559","767830","Present"
-"NSC767831","","","","","","","","","","","","","","","","","","","","NSC767831","","CC(C)CC(C(=O)NC(CC1=CN(C=N1)C)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","DNYWWGYLFIXFGK-ROUUACIJSA-N","118727516",NA,"PDBC49560","767831","Present"
-"NSC767832","","","","","","","","","","","","","","","","","","","","NSC767832","","CN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","POEMMMZOVHRYQQ-SFTDATJTSA-N","118727520",NA,"PDBC49561","767832","Present"
-"NSC767833","","","","","","","","","","","","","","","","","","","","NSC767833","","CC(C)(C)C(C(=O)NC(CC1=CN(C=N1)C)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","DCYGSPZDKFBZBJ-DLBZAZTESA-N","118727525",NA,"PDBC49562","767833","Present"
-"NSC767834","","","","","","","","","","","","","","","","","","","","NSC767834","","CCN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(C(C)(C)C)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","GRMDGQWRRGQPLS-ZWKOTPCHSA-N","155806695",NA,"PDBC49563","767834","Present"
-"NSC767835","","","","","","","","","","","","","","","","","","","","NSC767835","","CN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","ZOSYDPHFPHTSPY-GOTSBHOMSA-N","118727521",NA,"PDBC49564","767835","Present"
-"NSC767836","","","","","","","","","","","","","","","","","","","","NSC767836","","CC(C(=O)NC(CC1=CN(C=N1)C)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","PSFXJEKDTRVFEG-BONVTDFDSA-N","118727515",NA,"PDBC49565","767836","Present"
-"NSC767972","","","","","","","","","","","","","","","","","","","","NSC767972","","C1CCN2C(=C(C(=C2C(=O)C3=CC4=C(C=C3)OCCO4)N)C#N)C1","JBGCKBVRUNNTEJ-UHFFFAOYSA-N","16766605",NA,"PDBC49566","767972","Present"
-"NSC767978","","","","","","","","","","","","","","","","","","","","NSC767978","","COC1=CC=C(C=C1)C2=NOC(=C2C3=CC4=C(C(=C3)OC)OCO4)N","HBFRIUNIQXROBF-UHFFFAOYSA-N","76321341",NA,"PDBC49567","767978","Present"
-"NSC767979","","","","","","","","","","","","","","","","","","","","NSC767979","","COC1=CC=C(C=C1)C2=C(C(=NN2)N)C3=CC(=C(C(=C3)OC)OC)OC","KJOZDTMYYINTJW-UHFFFAOYSA-N","53329390",NA,"PDBC49568","767979","Present"
-"NSC767980","","","","","","","","","","","","","","","","","","","","NSC767980","","COC1=CC=C(C=C1)C2=NNN=C2C3=CC4=C(C(=C3)OC)OCO4","DOZOVRQLBANESF-UHFFFAOYSA-N","73334659",NA,"PDBC49569","767980","Present"
-"NSC767985","","","","","","","","","","","","","","","","","","","","NSC767985","","COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC5=C(C=C4)OCO5","NFKDIDCABMBNIW-UHFFFAOYSA-N","46949820",NA,"PDBC49570","767985","Present"
-"NSC767986","","","","","","","","","","","","","","","","","","","","NSC767986","","COC1=CC=C(C=C1)C2=CN=NN2C3=CC4=C(C(=C3)OC)OCO4","FXJWTEDHYUZWTB-UHFFFAOYSA-N","73334561",NA,"PDBC49571","767986","Present"
-"NSC767991","","","","","","","","","","","","","","","","","","","","NSC767991","","COC1=C(C=C(C=C1)C2=CN=NN2C3=NON=C3N4C=CC=C4)OC","MDCIKQBTBZWJTO-UHFFFAOYSA-N","91973270",NA,"PDBC49572","767991","Present"
-"NSC768002","","","","","","","","","","","","","","","","","","","","NSC768002","","COC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OC","WKLKYONGSSJYLW-UHFFFAOYSA-N","9879649",NA,"PDBC49573","768002","Present"
-"NSC768003","","","","","","","","","","","","","","","","","","","","NSC768003","","COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC(=CC(=C3)OC)OC)C4=CC=C(C=C4)OC","ANKJNRBZIBHBNL-UHFFFAOYSA-N","1102524",NA,"PDBC49574","768003","Present"
-"NSC768012","","","","","","","","","","","","","","","","","","","","NSC768012","","CCN(CC1=C(C=CC=C1Cl)F)C2=CC(=C(C=C2)CO)Cl","OTRKGXFDLCVIET-UHFFFAOYSA-N","155805371",NA,"PDBC49575","768012","Present"
-"NSC768013","","","","","","","","","","","","","","","","","","","","NSC768013","","CCN(CC1=C(C=CC=C1Cl)Cl)C2=CC(=C(C=C2)CO)Cl","JKNBMPUTEDFSGG-UHFFFAOYSA-N","155806701",NA,"PDBC49576","768013","Present"
-"NSC768014","","","","","","","","","","","","","","","","","","","","NSC768014","","CCN(CC1=C(C=CC=C1F)C(F)(F)F)C2=CC(=C(C=C2)CO)Cl","OTOLHLZSLNPRFS-UHFFFAOYSA-N","155809848",NA,"PDBC49577","768014","Present"
-"NSC768015","","","","","","","","","","","","","","","","","","","","NSC768015","","CCN(CC1=C(C=CC=C1F)OC)C2=CC(=C(C=C2)CO)Cl","PJIWTMUQWWZPTG-UHFFFAOYSA-N","155811633",NA,"PDBC49578","768015","Present"
-"NSC768016","","","","","","","","","","","","","","","","","","","","NSC768016","","C1CN(C1C2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","UMZBHFRHDOIESH-UHFFFAOYSA-N","155816292",NA,"PDBC49579","768016","Present"
-"NSC768018","","","","","","","","","","","","","","","","","","","","NSC768018","","CCN(CC1=CC=CC=C1C)C2=CC(=C(C=C2)CO)Cl","GTGUVJNKZSYKDP-UHFFFAOYSA-N","155813206",NA,"PDBC49580","768018","Present"
-"NSC768019","","","","","","","","","","","","","","","","","","","","NSC768019","","CCN(CC1=CC=CC=C1Cl)C2=CC(=C(C=C2)CO)Cl","JHIXPIOJPCXKTL-UHFFFAOYSA-N","155809849",NA,"PDBC49581","768019","Present"
-"NSC768020","","","","","","","","","","","","","","","","","","","","NSC768020","","CCN(CC1=CC=CC=C1F)C2=CC(=C(C=C2)CO)Cl","JAFFKIIASXPEAV-UHFFFAOYSA-N","155811634",NA,"PDBC49582","768020","Present"
-"NSC768021","","","","","","","","","","","","","","","","","","","","NSC768021","","CCN(CC1=CC=CC=C1OC)C2=CC(=C(C=C2)CO)Cl","SLICGLQFXPFIRH-UHFFFAOYSA-N","155813207",NA,"PDBC49583","768021","Present"
-"NSC768022","","","","","","","","","","","","","","","","","","","","NSC768022","","CCN(C1=CC(=C(C=C1)CO)Cl)C(C)C2=CC=C(C=C2)F","JWJPJQOWOOFNMJ-UHFFFAOYSA-N","155811635",NA,"PDBC49584","768022","Present"
-"NSC768023","","","","","","","","","","","","","","","","","","","","NSC768023","","C1CN(CC2=CC=CC=C21)C3=CC(=C(C=C3)CO)Cl","IKNMLFOSTDOTMO-UHFFFAOYSA-N","108293658",NA,"PDBC49585","768023","Present"
-"NSC768025","","","","","","","","","","","","","","","","","","","","NSC768025","","C1CN(CC2=C1C=CC=C2F)C3=CC(=C(C=C3)CO)Cl","JIEPRXXJEWVKGW-UHFFFAOYSA-N","155809850",NA,"PDBC49586","768025","Present"
-"NSC768051","","","","","","","","","","","","","","","","","","","","NSC768051","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C#N","ZYYUPVLZRDBTOI-UHFFFAOYSA-N","155806702",NA,"PDBC49587","768051","Present"
-"NSC768052","","","","","","","","","","","","","","","","","","","","NSC768052","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)Cl","UOKVOKXRNOXSFI-UHFFFAOYSA-N","155811638",NA,"PDBC49588","768052","Present"
-"NSC768053","","","","","","","","","","","","","","","","","","","","NSC768053","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C4=NOC=N4","CJKYCYZWZYZWMU-UHFFFAOYSA-N","155809851",NA,"PDBC49589","768053","Present"
-"NSC768054","","","","","","","","","","","","","","","","","","","","NSC768054","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)N","PHSZGBMYDVWFBI-UHFFFAOYSA-N","155808512",NA,"PDBC49590","768054","Present"
-"NSC768055","","","","","","","","","","","","","","","","","","","","NSC768055","","CC(C)OP(=O)(C1=NC=C(C(=N1)NC2CCCCCC2)C3=CC=C(C=C3)C(F)(F)F)O","JJGLWCSAXHCFBE-UHFFFAOYSA-N","155808513",NA,"PDBC49591","768055","Present"
-"NSC768057","","","","","","","","","","","","","","","","","","","","NSC768057","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)Br","XXMFOTSGACLHRG-UHFFFAOYSA-N","155805373",NA,"PDBC49592","768057","Present"
-"NSC768058","","","","","","","","","","","","","","","","","","","","NSC768058","","CN(C)C1=NC=C(C(=N1)NC2CCCCCC2)C3=CC=C(C=C3)C(F)(F)F","XZSDRJHUAKRICJ-UHFFFAOYSA-N","155808514",NA,"PDBC49593","768058","Present"
-"NSC768059","","","","","","","","","","","","","","","","","","","","NSC768059","","C1CCCC(CC1)NC2=C(C=NC(=O)N2)C3=CC=C(C=C3)C(F)(F)F","FRWJLBHCRXXXQW-UHFFFAOYSA-N","155805374",NA,"PDBC49594","768059","Present"
-"NSC768060","","","","","","","","","","","","","","","","","","","","NSC768060","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)COC(=O)C4=C(C(=C(C(=C4F)F)F)F)F","PMWVNMIXQBCHAO-UHFFFAOYSA-N","155806703",NA,"PDBC49595","768060","Present"
-"NSC768124","","","","","","","","","","","","","","","","","","","","NSC768124","","CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)OC)CCN5CCOCC5","RQFUKBAHMUVXDA-UHFFFAOYSA-N","121237855",NA,"PDBC49596","768124","Present"
-"NSC768415","","","","","","","","","","","","","","","","","","","","NSC768415","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CC(=NN2)C3=CC4=C(C=C3)OCO4","YRKQYEPMFQHXHJ-AATRIKPKSA-N","117928185",NA,"PDBC49597","768415","Present"
-"NSC768465","","","","","","","","","","","","","","","","","","","","NSC768465","","CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C=CC3=CC=C(C=C3)Cl)C4=NNC(=C4)C(C)(C)C","MNHHKIIESCLZAL-MDWZMJQESA-N","155811429",NA,"PDBC49598","768465","Present"
-"NSC768473","","","","","","","","","","","","","","","","","","","","NSC768473","","C1=CC=C2C(=C1)C=C(C(=O)N2)C=CC(=O)C=CC3=CC=C(C=C3)Cl","UHDVDJNAVDZYFV-MKICQXMISA-N","155805170",NA,"PDBC49599","768473","Present"
-"NSC768474","","","","","","","","","","","","","","","","","","","","NSC768474","","COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC3=CC=CC=C3NC2=O","HVLYHNHRRFCXHF-BBYAVRKXSA-N","155809648",NA,"PDBC49600","768474","Present"
-"NSC768488","","","","","","","","","","","","","","","","","","","","NSC768488","","COC1=CC=C(C=C1)N(CC2=CC(=C(C(=C2)OC)OC)OC)C3C4=CC=CC=C4C(=O)O3","HBJLTUMCTDPDPH-UHFFFAOYSA-N","155808339",NA,"PDBC49601","768488","Present"
-"NSC768526","","","","","","","","","","","","","","","","","","","","NSC768526","","CCCCCCCNC1=NC(=NC=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC","RXAUHHMCRFDGNA-UHFFFAOYSA-N","155816110",NA,"PDBC49602","768526","Present"
-"NSC768527","","","","","","","","","","","","","","","","","","","","NSC768527","","CCCCCCCCCCCCCCNC1=NC(=NC=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC","UFLBAFZLZLKILL-UHFFFAOYSA-N","155809652",NA,"PDBC49603","768527","Present"
-"NSC768557","","","","","","","","","","","","","","","","","","","","NSC768557","","CC1=CC2=NC(=C(N2C=C1)C3=CSC(=N3)NC4=CC(=CC=C4)O)C","BSRKOYHAJSBCCE-UHFFFAOYSA-N","768033",NA,"PDBC49604","768557","Present"
-"NSC768562","","","","","","","","","","","","","","","","","","","","NSC768562","","C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC=CS4)C#N)N","RLDHRFZYYHWZQU-UHFFFAOYSA-N","2807476",NA,"PDBC49605","768562","Present"
-"NSC768565","","","","","","","","","","","","","","","","","","","","NSC768565","","COC1=CC=C(C=C1)C2=C(ON=C2)C3=CC(=C(C(=C3)OC)OC)OC","XUGSPERSQBCGJK-UHFFFAOYSA-N","44439004",NA,"PDBC49606","768565","Present"
-"NSC768567","","","","","","","","","","","","","","","","","","","","NSC768567","","COC1=C(C2=C(C=C1C3CC(=O)NC4=C3C=NN4CC5=CC=CO5)OCO2)OC","YJONAWBPVJVIOK-UHFFFAOYSA-N","135636792",NA,"PDBC49607","768567","Present"
-"NSC768570","","","","","","","","","","","","","","","","","","","","NSC768570","","CC1=NN(C2=C1C(=O)CC(C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=NC5=CC=CC=C5N4","ZAKFFLXCRUDRHL-UHFFFAOYSA-N","16766629",NA,"PDBC49608","768570","Present"
-"NSC768571","","","","","","","","","","","","","","","","","","","","NSC768571","","CC1=NN(C2=C1C(CC(=O)N2)C3=CC=C(C=C3)OC)C4=NC5=CC=CC=C5N4","QJPJPTLBSMOCTD-UHFFFAOYSA-N","135656007",NA,"PDBC49609","768571","Present"
-"NSC768572","","","","","","","","","","","","","","","","","","","","NSC768572","","CC1=NN(C2=C1C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C5=NC6=CC=CC=C6N5","XLBHQWNWXNHLTG-UHFFFAOYSA-N","135656018",NA,"PDBC49610","768572","Present"
-"NSC768573","","","","","","","","","","","","","","","","","","","","NSC768573","","COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CC=C4OC)N)OC","HAMSRRJHMKWRPI-UHFFFAOYSA-N","42647803",NA,"PDBC49611","768573","Present"
-"NSC768574","","","","","","","","","","","","","","","","","","","","NSC768574","","COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N)OC","DYZYHBUOJVRYAS-UHFFFAOYSA-N","24109216",NA,"PDBC49612","768574","Present"
-"NSC768584","","","","","","","","","","","","","","","","","","","","NSC768584","","CC1=NN(C2=C1C(CC(=O)N2)C3=C(C(=CC=C3)OC)OC)C4=NC5=CC=CC=C5N4","JGWYDPVMOYYGHS-UHFFFAOYSA-N","135656006",NA,"PDBC49613","768584","Present"
-"NSC768585","","","","","","","","","","","","","","","","","","","","NSC768585","","CC1=NN(C2=C1C(CC(=O)N2)C3=CC(=C(C=C3)OC)OC)C4=NC5=CC=CC=C5N4","HSSRGUFRSXFKDM-UHFFFAOYSA-N","135656010",NA,"PDBC49614","768585","Present"
-"NSC768586","","","","","","","","","","","","","","","","","","","","NSC768586","","CC1=CC(=C(C=C1)C(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N)C","SHRVYLWBTZPOGS-UHFFFAOYSA-N","1238041",NA,"PDBC49615","768586","Present"
-"NSC768587","","","","","","","","","","","","","","","","","","","","NSC768587","","COC1=CC(=C(C=C1)OC)C(=O)C2=C(C3=C(O2)C=CC(=C3)Br)N","LRSYDNSQEHGTQG-UHFFFAOYSA-N","631332",NA,"PDBC49616","768587","Present"
-"NSC768591","","","","","","","","","","","","","","","","","","","","NSC768591","","COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC4=C(C(=C3)OC)OCO4","NSDDVUKEERLUQI-UHFFFAOYSA-N","91973275",NA,"PDBC49617","768591","Present"
-"NSC768592","","","","","","","","","","","","","","","","","","","","NSC768592","","COC1=CC=C(C=C1)C2=C(C=NO2)C3=CC(=C(C(=C3)OC)OC)OC","SDEVLRKDBBUKIA-UHFFFAOYSA-N","44439006",NA,"PDBC49618","768592","Present"
-"NSC771442","","","","","","","","","","","","","","","","","","","","NSC771442","","COC1=CC=C(C=C1)C2=CC(C3=C(N2)N=C(NC3=O)OC)C4=CC(=C(C=C4)OC5=C6C=CC(=CC6=NC=C5)Cl)OC","VTGDVACSXAKMLL-UHFFFAOYSA-N","155805184",NA,"PDBC49619","771442","Present"
-"NSC771445","","","","","","","","","","","","","","","","","","","","NSC771445","","CSC1=NC2=C(C(C3=C(N2)C(=CC4=CC=C(C=C4)Cl)CNC3)C5=CC=C(C=C5)Cl)C(=O)N1","HZLOOTNYTDABNE-XNTDXEJSSA-N","155809659",NA,"PDBC49620","771445","Present"
-"NSC771458","","","","","","","","","","","","","","","","","","","","NSC771458","","COC1=CC=C(C=C1)C2=NNC(C2)C3=C(N=C(S3)Cl)Cl","HJFYRKMEENPMNS-UHFFFAOYSA-N","129833798",NA,"PDBC49621","771458","Present"
-"NSC771473","","","","","","","","","","","","","","","","","","","","NSC771473","","CC1=NN(C2=C1C3C4=CC=CC=C4NC(=O)C3=C(N2)C5=CC=C(C=C5)Cl)C6=CC=CC=C6","LHPGFVXFCITGMW-UHFFFAOYSA-N","155806514",NA,"PDBC49622","771473","Present"
-"NSC771480","","","","","","","","","","","","","","","","","","","","NSC771480","","CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)Cl)OC","OEPRNGHGHBEDEY-WLRTZDKTSA-N","155811440",NA,"PDBC49623","771480","Present"
-"NSC771483","","","","","","","","","","","","","","","","","","","","NSC771483","","COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C(=C2)C4=CC(=C(C=C4)OC5=C6C=CC(=CC6=NC=C5)Cl)OC)C(=O)NC(=N3)N","ISIWZBPMMAXOBG-UHFFFAOYSA-N","155806518",NA,"PDBC49624","771483","Present"
-"NSC771562","","","","","","","","","","","","","","","","","","","","NSC771562","","CC1C2=CC=CC=C2CCN1C3=CC(=C(C=C3)CO)Cl","LVUOFUZBUUYKEH-UHFFFAOYSA-N","155808356",NA,"PDBC49625","771562","Present"
-"NSC771598","","","","","","","","","","","","","","","","","","","","NSC771598","","C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCOC3=NC4=CC=CC=C4C=C3C(=O)NC5=C(C=C(C=C5)Cl)O)OCCCN","VNMYAHAXAXUUHL-UHFFFAOYSA-N","71566401",NA,"PDBC49626","771598","Present"
-"NSC771664","","","","","","","","","","","","","","","","","","","","NSC771664","","CC1=NN(C2=NC3=NC4=C(CCCC4)C(=C3C(=C12)C5=CC=C(C=C5)OC)N)C6=CC=CC=C6","UWGOWNZLSNTARA-UHFFFAOYSA-N","122377740",NA,"PDBC49627","771664","Present"
-"NSC771762","","","","","","","","","","","","","","","","","","","","NSC771762","","COC1=CC(=CC(=C1)NC2=NC(=NC=C2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl)OC","CKOFWLSFRSAWJU-UHFFFAOYSA-N","117827351",NA,"PDBC49628","771762","Present"
-"NSC771763","","","","","","","","","","","","","","","","","","","","NSC771763","","C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C4=NC=CC(=N4)NC5=CC=C(C=C5)F","CUUFTINJIQVXSJ-UHFFFAOYSA-N","117827329",NA,"PDBC49629","771763","Present"
-"NSC771787","","","","","","","","","","","","","","","","","","","","NSC771787","","COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CS4)N)OC","MJSZSEYOYMYKPN-UHFFFAOYSA-N","5088934",NA,"PDBC49630","771787","Present"
-"NSC771791","","","","","","","","","","","","","","","","","","","","NSC771791","","COC1=CC=C(C=C1)C2=C(C=NO2)C3=CC4=C(C(=C3)OC)OCO4","MPFOSQIXUBFKPC-UHFFFAOYSA-N","91973277",NA,"PDBC49631","771791","Present"
-"NSC771795","","","","","","","","","","","","","","","","","","","","NSC771795","","CC1=C(C=CC=C1Cl)NC2=NC(=CS2)C3=C(N=C4N3C=CS4)C","SRDFJNLSICCYDU-UHFFFAOYSA-N","991115",NA,"PDBC49632","771795","Present"
-"NSC771796","","","","","","","","","","","","","","","","","","","","NSC771796","","COC1=C(C(=CC(=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C#N)N)C#N)Br)OC","JWHZGNKTABLZGC-UHFFFAOYSA-N","1042384",NA,"PDBC49633","771796","Present"
-"NSC771803","","","","","","","","","","","","","","","","","","","","NSC771803","","CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=C(N3)C(F)(F)F","LYFAHPBMGPHVFA-UHFFFAOYSA-N","5296936",NA,"PDBC49634","771803","Present"
-"NSC771807","","","","","","","","","","","","","","","","","","","","NSC771807","","COC1=C(C=C(C=C1)C2=CC(=O)N(N2)C3=NC4=CC=CC=C4N3)OC","PRKYWBSIICMQDQ-UHFFFAOYSA-N","16476434",NA,"PDBC49635","771807","Present"
-"NSC771820","","","","","","","","","","","","","","","","","","","","NSC771820","","CC1=NN(C2=C1C(CC(=O)N2)C3=CC(=C(C(=C3)OC)O)OC)C4=NC5=CC=CC=C5N4","ACWBFENTBWWKBK-UHFFFAOYSA-N","135656015",NA,"PDBC49636","771820","Present"
-"NSC771827","","","","","","","","","","","","","","","","","","","","NSC771827","","COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC(=CC=C4)Cl","XNQRITQFCMZCIB-UHFFFAOYSA-N","42648101",NA,"PDBC49637","771827","Present"
-"NSC771829","","","","","","","","","","","","","","","","","","","","NSC771829","","COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC=C(C=C4)F","CTZXMBQSLRUNDU-UHFFFAOYSA-N","42648104",NA,"PDBC49638","771829","Present"
-"NSC772205","","","","","","","","","","","","","","","","","","","","NSC772205","","B(C(CC(C)C)NC(=O)CN1C=CC(=CC1=O)NC2=CC=CC=C2)(O)O","LXDQJQYUHNTYAY-INIZCTEOSA-N","71697361",NA,"PDBC49639","772205","Present"
-"NSC772209","","","","","","","","","","","","","","","","","","","","NSC772209","","B(C(CC(C)C)NC(=O)CCN1C=CC2=C(C1=O)C=CC=N2)(O)O","QVWSMLJHGXOLAN-AWEZNQCLSA-N","90645047",NA,"PDBC49640","772209","Present"
-"NSC772237","","","","","","","","","","","","","","","","","","","","NSC772237","","C1=CC(=CC=C1C2=CN=C(N=C2NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F)C(F)(F)F","LELVIKXUVSQDNS-UHFFFAOYSA-N","155805208",NA,"PDBC49641","772237","Present"
-"NSC772238","","","","","","","","","","","","","","","","","","","","NSC772238","","C1=CC(=CC=C1C2=CN=C(N=C2NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl)C(F)(F)F","YNEFZDMLTYNEKE-UHFFFAOYSA-N","155806537",NA,"PDBC49642","772238","Present"
-"NSC772239","","","","","","","","","","","","","","","","","","","","NSC772239","","C1=CC(=CC=C1C2=CN=C(N=C2NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C#N)C(F)(F)F","IJMDQDDJSBDLAX-UHFFFAOYSA-N","155805209",NA,"PDBC49643","772239","Present"
-"NSC772317","","","","","","","","","","","","","","","","","","","","NSC772317","","CC1=CC(=O)N2N1C3=C(C4=CC=CC=C4C=C3)N=N2","BHMJAHFUVWPXLG-UHFFFAOYSA-N","155812782",NA,"PDBC49644","772317","Present"
-"NSC772330","","","","","","","","","","","","","","","","","","","","NSC772330","","C1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC=C2C#N)NCC4=CN=CN4)Cl)F","HFOOHVUKODGHBP-UHFFFAOYSA-N","16066845",NA,"PDBC49645","772330","Present"
-"NSC772341","","","","","","","","","","","","","","","","","","","","NSC772341","","","","",NA,"PDBC49646","772341","Present"
-"NSC772344","","","","","","","","","","","","","","","","","","","","NSC772344","","C1=CC=C2C(=C1)C3=C(S2)C(=O)N(N=N3)C4=CC(=C(C=C4)F)Cl","AZWKVNKDMMPSDB-UHFFFAOYSA-N","118706322",NA,"PDBC49647","772344","Present"
-"NSC772345","","","","","","","","","","","","","","","","","","","","NSC772345","","CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=N2","SGYUPNQAEWWRJY-UHFFFAOYSA-N","118706323",NA,"PDBC49648","772345","Present"
-"NSC772346","","","","","","","","","","","","","","","","","","","","NSC772346","","COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=N2","TXJRUBBWHOHORI-UHFFFAOYSA-N","118706324",NA,"PDBC49649","772346","Present"
-"NSC772437","","","","","","","","","","","","","","","","","","","","NSC772437","","C1=COC(=C1)C2=CC=C(O2)C3=CC(=C(C=C3)C(=N)N)F","CDHPQZAGPUZFQP-UHFFFAOYSA-N","155816143",NA,"PDBC49650","772437","Present"
-"NSC772439","","","","","","","","","","","","","","","","","","","","NSC772439","","COC1=CC(=CC(=C1)C2=CC=C(S2)C3=CC=C(S3)C(=N)N)OC","QBWGTMWTMGHCAC-UHFFFAOYSA-N","155811463",NA,"PDBC49651","772439","Present"
-"NSC772533","","","","","","","","","","","","","","","","","","","","NSC772533","","CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CN(N=N4)C5=CC(=CC=C5)OC","ZWILTTBPGJBJGM-UHFFFAOYSA-N","155806549",NA,"PDBC49652","772533","Present"
-"NSC772537","","","","","","","","","","","","","","","","","","","","NSC772537","","CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C#C","LBMRCYHUGLYLPR-UHFFFAOYSA-N","155812789",NA,"PDBC49653","772537","Present"
-"NSC772541","","","","","","","","","","","","","","","","","","","","NSC772541","","CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4","FJMIMDSAEQAMEG-UHFFFAOYSA-N","9922444",NA,"PDBC49654","772541","Present"
-"NSC772542","","","","","","","","","","","","","","","","","","","","NSC772542","","CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4","LGWDGIALCCNBQU-UHFFFAOYSA-N","9901007",NA,"PDBC49655","772542","Present"
-"NSC772543","","","","","","","","","","","","","","","","","","","","NSC772543","","CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F","CPRAZTHDRGGAFK-UHFFFAOYSA-N","70687546",NA,"PDBC49656","772543","Present"
-"NSC772544","","","","","","","","","","","","","","","","","","","","NSC772544","","CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC","SOPMSUWIPJLODE-UHFFFAOYSA-N","155806552",NA,"PDBC49657","772544","Present"
-"NSC772545","","","","","","","","","","","","","","","","","","","","NSC772545","","CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C","VWFPEGABLBTWGY-UHFFFAOYSA-N","155808372",NA,"PDBC49658","772545","Present"
-"NSC772548","","","","","","","","","","","","","","","","","","","","NSC772548","","CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C(=O)NC4=CC=CC=C4","CJQWGFQDUZQMJY-UHFFFAOYSA-N","155811467",NA,"PDBC49659","772548","Present"
-"NSC772555","","","","","","","","","","","","","","","","","","","","NSC772555","","CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)N4CCOCC4","FVKWCHIUAUPBEH-UHFFFAOYSA-N","11990504",NA,"PDBC49660","772555","Present"
-"NSC772557","","","","","","","","","","","","","","","","","","","","NSC772557","","CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CN(N=N4)C5=CC=C(C=C5)Cl","AZZMHLQWOCJRBZ-UHFFFAOYSA-N","155816149",NA,"PDBC49661","772557","Present"
-"NSC772637","","","","","","","","","","","","","","","","","","","","NSC772637","","COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC(=CC=C4)F","UAHIDJBAXQSQDO-UHFFFAOYSA-N","46949819",NA,"PDBC49662","772637","Present"
-"NSC772643","","","","","","","","","","","","","","","","","","","","NSC772643","","C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N)Cl","FHVYFQDZXQLDDO-UHFFFAOYSA-N","684386",NA,"PDBC49663","772643","Present"
-"NSC772654","","","","","","","","","","","","","","","","","","","","NSC772654","","C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=C(C=C(C=C3)F)F)C4=NON=C4N","JMSNVUTXNCLSSL-UHFFFAOYSA-N","1130343",NA,"PDBC49664","772654","Present"
-"NSC772664","","","","","","","","","","","","","","","","","","","","NSC772664","","C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)C4=NON=C4N","VZSANIPPAPURMC-UHFFFAOYSA-N","573353",NA,"PDBC49665","772664","Present"
-"NSC772665","","","","","","","","","","","","","","","","","","","","NSC772665","","COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N","ILVNNMOVPPCHLU-UHFFFAOYSA-N","1259819",NA,"PDBC49666","772665","Present"
-"NSC772666","","","","","","","","","","","","","","","","","","","","NSC772666","","CC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)OC","OWOBXUZZDLQWRD-UHFFFAOYSA-N","4919603",NA,"PDBC49667","772666","Present"
-"NSC772751","","","","","","","","","","","","","","","","","","","","NSC772751","","C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)N4C=C(N=N4)COCCN5CCCCC5","CDEUEFGFAHTEBQ-UHFFFAOYSA-N","155811480",NA,"PDBC49668","772751","Present"
-"NSC772767","","","","","","","","","","","","","","","","","","","","NSC772767","","C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C=NNC(=O)C4=CC(=C(C(=C4)O)O)O","HMLXNAUZAGRSPI-FSJBWODESA-N","155814628",NA,"PDBC49669","772767","Present"
-"NSC772797","","","","","","","","","","","","","","","","","","","","NSC772797","","COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3CCC4=C3C=C5C=C(C(=CC5=N4)OC)OC","RDSYUGKBIWCGPQ-UHFFFAOYSA-N","155814630",NA,"PDBC49670","772797","Present"
-"NSC772801","","","","","","","","","","","","","","","","","","","","NSC772801","","CC(=NOCC(=O)NC1=CC=C(C=C1)Cl)C=CC2=CC=C(C=C2)OC","WXWCKDUJKIDQBP-DQGRHAAVSA-N","46192177",NA,"PDBC49671","772801","Present"
-"NSC772810","","","","","","","","","","","","","","","","","","","","NSC772810","","COC1=CC=C(C=C1)S(=O)(=O)NCCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F","RFAPVDMHPOONKL-UHFFFAOYSA-N","155812797",NA,"PDBC49672","772810","Present"
-"NSC772811","","","","","","","","","","","","","","","","","","","","NSC772811","","CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F","YQSXZOVZLRZMEL-UHFFFAOYSA-N","155816161",NA,"PDBC49673","772811","Present"
-"NSC772812","","","","","","","","","","","","","","","","","","","","NSC772812","","C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCNC3=NC=CC(=N3)C4=C(N=C5N4C=CS5)C6=CC=C(C=C6)F","QDDNDXGGVBYUIC-UHFFFAOYSA-N","155811484",NA,"PDBC49674","772812","Present"
-"NSC772816","","","","","","","","","","","","","","","","","","","","NSC772816","","C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)F)F","ZJJVLTJPLFITCC-UHFFFAOYSA-N","155814632",NA,"PDBC49675","772816","Present"
-"NSC772823","","","","","","","","","","","","","","","","","","","","NSC772823","","COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC6=C(C=C5)OCCO6)Cl","GXKVNCYJWLGREE-UHFFFAOYSA-N","155805223",NA,"PDBC49676","772823","Present"
-"NSC772840","","","","","","","","","","","","","","","","","","","","NSC772840","","C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC(=CC=C3)N4C=C(C(=N4)C5=CC(=C(C=C5)O)Cl)C6=CC=NC=C6","UOMNLBWLQNFDJH-UHFFFAOYSA-N","155806560",NA,"PDBC49677","772840","Present"
-"NSC772847","","","","","","","","","","","","","","","","","","","","NSC772847","","C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)C4=CC=CC=C4","LWRQNXSTZONBSC-UHFFFAOYSA-N","73213109",NA,"PDBC49678","772847","Present"
-"NSC772850","","","","","","","","","","","","","","","","","","","","NSC772850","","CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C4=C(CCCCC4)C(=O)O3","BKGNSHSNDFIPBN-UHFFFAOYSA-N","73213110",NA,"PDBC49679","772850","Present"
-"NSC772873","","","","","","","","","","","","","","","","","","","","NSC772873","","C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C=CC3=CC(=C(C=C3)O)O","WMWPWPKZDCAISN-KRXBUXKQSA-N","155809701",NA,"PDBC49680","772873","Present"
-"NSC772948","","","","","","","","","","","","","","","","","","","","NSC772948","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC(=CC=C4)Br)CCC5=C3C=CC(=C5)O","PZOZZJJKMXVPQP-DJCPXJLLSA-N","57394319",NA,"PDBC49681","772948","Present"
-"NSC772949","","","","","","","","","","","","","","","","","","","","NSC772949","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC(=CC=C4)Cl)CCC5=C3C=CC(=C5)O","MNPGVUQHWWFPGC-DJCPXJLLSA-N","57392601",NA,"PDBC49682","772949","Present"
-"NSC772950","","","","","","","","","","","","","","","","","","","","NSC772950","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=CC(=C4)F)CCC5=C3C=CC(=C5)O","OWUBXNYDZAARSK-DJCPXJLLSA-N","57393356",NA,"PDBC49683","772950","Present"
-"NSC772951","","","","","","","","","","","","","","","","","","","","NSC772951","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=CC(=C4)OC(F)(F)F)CCC5=C3C=CC(=C5)O","CEIITISIORYLFU-DJCPXJLLSA-N","57398652",NA,"PDBC49684","772951","Present"
-"NSC772952","","","","","","","","","","","","","","","","","","","","NSC772952","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)CCC5=C3C=CC(=C5)O","YEHQSCJHJOMNQE-DJCPXJLLSA-N","57403822",NA,"PDBC49685","772952","Present"
-"NSC772953","","","","","","","","","","","","","","","","","","","","NSC772953","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)Br)CCC5=C3C=CC(=C5)O","ZTASWFRVGNWCHJ-DJCPXJLLSA-N","57394320",NA,"PDBC49686","772953","Present"
-"NSC772954","","","","","","","","","","","","","","","","","","","","NSC772954","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)Cl)CCC5=C3C=CC(=C5)O","WACHLGDEQHDDHQ-DJCPXJLLSA-N","57399536",NA,"PDBC49687","772954","Present"
-"NSC772956","","","","","","","","","","","","","","","","","","","","NSC772956","","CCCC1=CC=C(C=C1)S(=O)(=O)NC2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C","XSRGMVHEMLNSGL-VKINHPFQSA-N","57397829",NA,"PDBC49688","772956","Present"
-"NSC772957","","","","","","","","","","","","","","","","","","","","NSC772957","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)CCC5=C3C=CC(=C5)O","HQZPJWKELOBFPP-DJCPXJLLSA-N","57391605",NA,"PDBC49689","772957","Present"
-"NSC772958","","","","","","","","","","","","","","","","","","","","NSC772958","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)CCC5=C3C=CC(=C5)O","PRMOTXDSPZGYAI-VMBLQBCYSA-N","57390788",NA,"PDBC49690","772958","Present"
-"NSC772959","","","","","","","","","","","","","","","","","","","","NSC772959","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5)CCC6=C3C=CC(=C6)O","IRYGUSTYEUUNJW-ZNOUKXQUSA-N","57390789",NA,"PDBC49691","772959","Present"
-"NSC772960","","","","","","","","","","","","","","","","","","","","NSC772960","","CC12CCC3C(C1CCC2NS(=O)(=O)CC4=CC=C(C=C4)Cl)CCC5=C3C=CC(=C5)O","JBFUSIJSXAEMBJ-VAFBSOEGSA-N","155805225",NA,"PDBC49692","772960","Present"
-"NSC772961","","","","","","","","","","","","","","","","","","","","NSC772961","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)CCC6=C3C=CC(=C6)O","HSBNAZHPEGSABY-MASCHLQQSA-N","57397893",NA,"PDBC49693","772961","Present"
-"NSC772962","","","","","","","","","","","","","","","","","","","","NSC772962","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)CCC6=C3C=CC(=C6)O","GJVDVRNXKYVGMJ-XDLBVFQSSA-N","155811492",NA,"PDBC49694","772962","Present"
-"NSC772965","","","","","","","","","","","","","","","","","","","","NSC772965","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)CCC5=C3C=CC(=C5)OS(=O)(=O)O","YVOUUPQGUNFLOM-VMBLQBCYSA-N","155806564",NA,"PDBC49695","772965","Present"
-"NSC772970","","","","","","","","","","","","","","","","","","","","NSC772970","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC(=CC=C4)Br)CCC5=C3C=CC(=C5[N+](=O)[O-])O","SKWLDRSDISNIQR-STDWZSPESA-N","122184378",NA,"PDBC49696","772970","Present"
-"NSC772971","","","","","","","","","","","","","","","","","","","","NSC772971","","CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)CCC5=C3C=CC(=C5[N+](=O)[O-])O","QDJRSHDTZHTXPL-STDWZSPESA-N","155812800",NA,"PDBC49697","772971","Present"
-"NSC772974","","","","","","","","","","","","","","","","","","","","NSC772974","","CSC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=C(C=C3)NC(=O)CCCN4CCCC4)C5=CC=C(C=C5)NC(=O)CCCN6CCCC6","MUSYRHUOELWCGJ-UHFFFAOYSA-N","54757580",NA,"PDBC49698","772974","Present"
-"NSC773071","","","","","","","","","","","","","","","","","","","","NSC773071","","CC1=CC(=NC(=N1)N2CCN(CC2)C)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl","VIABYINYYZWVRL-UHFFFAOYSA-N","70684940",NA,"PDBC49699","773071","Present"
-"NSC773076","","","","","","","","","","","","","","","","","","","","NSC773076","","COC1=CC=C(C=C1)NC2=NC=CC(=N2)N3CCN(CC3)C4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC","LMZJVFZLRONUFY-UHFFFAOYSA-N","155816171",NA,"PDBC49700","773076","Present"
-"NSC773201","","","","","","","","","","","","","","","","","","","","NSC773201","","CC(=O)N1C(OC(=N1)C2=C(C3=CC=CC=C3C(=C2)OC)OC(=O)C)C4=C(C=C(C=C4)OC(=O)C)OC(=O)C","HARFDKRQUSYJFJ-UHFFFAOYSA-N","155812811",NA,"PDBC49701","773201","Present"
-"NSC773228","","","","","","","","","","","","","","","","","","","","NSC773228","","CC1=NC2=C(C(=NN2C(=C1)NCC3=CC=CC=N3)C)C4=CC=CC=C4OC","IYXAVWSFOFWKCN-UHFFFAOYSA-N","3355849",NA,"PDBC49702","773228","Present"
-"NSC773241","","","","","","","","","","","","","","","","","","","","NSC773241","","CC1=C2C(=CC(=C1OC)OC)C(=CC(=O)O2)C3=NC4=CC(=C(C=C4S3)F)Cl","AOEDCXCIURAASG-UHFFFAOYSA-N","155816179",NA,"PDBC49703","773241","Present"
-"NSC773242","","","","","","","","","","","","","","","","","","","","NSC773242","","COC1=C(C=CC2=C1OC(=O)C=C2C3=NC4=CC(=C(C=C4S3)F)Cl)Cl","MFQNEVYQIVXTFH-UHFFFAOYSA-N","155808400",NA,"PDBC49704","773242","Present"
-"NSC773381","","","","","","","","","","","","","","","","","","","","NSC773381","","CN1CCC2=C(C3=CC=CC=C3N2C1)SC4=CC=C(C=C4)C(=O)NO","OTCAYORIAOVCNJ-UHFFFAOYSA-N","71565457",NA,"PDBC49705","773381","Present"
-"NSC773382","","","","","","","","","","","","","","","","","","","","NSC773382","","CC1=CC2=C(C=C1)N3CN(CCC3=C2SC4=CC=C(C=C4)C(=O)NO)C","FDPQIRJFFJJTOA-UHFFFAOYSA-N","71586621",NA,"PDBC49706","773382","Present"
-"NSC773383","","","","","","","","","","","","","","","","","","","","NSC773383","","CN1CCN2C3=CC=CC=C3C(=C2C1=O)SC4=CC=C(C=C4)C(=O)NO","AENCPHFVDUWAGO-UHFFFAOYSA-N","71585443",NA,"PDBC49707","773383","Present"
-"NSC773385","","","","","","","","","","","","","","","","","","","","NSC773385","","CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CC5(C4)CNC5)N","QYCCMZVRTHGSBB-GFCCVEGCSA-N","71239608",NA,"PDBC49708","773385","Present"
-"NSC773386","","","","","","","","","","","","","","","","","","","","NSC773386","","CC(C1=C(C=CC(=C1Cl)Cl)F)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CC5(C4)CCNCC5)N","SLWPAOADXVOJPY-CQSZACIVSA-N","155814650",NA,"PDBC49709","773386","Present"
-"NSC773387","","","","","","","","","","","","","","","","","","","","NSC773387","","C=CC(=O)N1CC2(C1)CC(C2)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N","MDOOZFHNLMQRHG-UHFFFAOYSA-N","71660509",NA,"PDBC49710","773387","Present"
-"NSC773388","","","","","","","","","","","","","","","","","","","","NSC773388","","C=CC(=O)N1CC2(C1)CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N","ISDIBDPXVWNENH-UHFFFAOYSA-N","71668077",NA,"PDBC49711","773388","Present"
-"NSC773389","","","","","","","","","","","","","","","","","","","","NSC773389","","CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CC5(C4)CCCNC5)N","WUIOBNGTWSVFMF-FLORGGSBSA-N","71239833",NA,"PDBC49712","773389","Present"
-"NSC774662","","","","","","","","","","","","","","","","","","","","NSC774662","","COC1=CC=C(C=C1)C2=CC=C(S2)C3=CC(=C(C=C3)C(=N)N)F","XEQZCHURPCKGAW-UHFFFAOYSA-N","137638782",NA,"PDBC49713","774662","Present"
-"NSC774664","","","","","","","","","","","","","","","","","","","","NSC774664","","COC1=CC(=CC(=C1)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N)OC","QMGLAYYRKPJRIH-UHFFFAOYSA-N","155809719",NA,"PDBC49714","774664","Present"
-"NSC774666","","","","","","","","","","","","","","","","","","","","NSC774666","","CN(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N","JHROPHJJWBACCP-UHFFFAOYSA-N","155805242",NA,"PDBC49715","774666","Present"
-"NSC774667","","","","","","","","","","","","","","","","","","","","NSC774667","","C1=CC(=CC=C1C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N)Cl","XLFBGHGJGRSSPY-UHFFFAOYSA-N","155811507",NA,"PDBC49716","774667","Present"
-"NSC774668","","","","","","","","","","","","","","","","","","","","NSC774668","","C1=CC(=NC=C1C(=N)N)C2=CC=C(O2)C3=CC(=CC(=C3)Cl)Cl","GMKQTGNEJKLCET-UHFFFAOYSA-N","155805243",NA,"PDBC49717","774668","Present"
-"NSC774686","","","","","","","","","","","","","","","","","","","","NSC774686","","","","",NA,"PDBC49718","774686","Present"
-"NSC774702","","","","","","","","","","","","","","","","","","","","NSC774702","","COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC4=C(C(=C3)OC)OCCO4","DVOUCXIFICMZGC-UHFFFAOYSA-N","91973331",NA,"PDBC49719","774702","Present"
-"NSC774714","","","","","","","","","","","","","","","","","","","","NSC774714","","C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)Br)C4=NON=C4N","NSIJURZMDSCFBL-UHFFFAOYSA-N","1239239",NA,"PDBC49720","774714","Present"
-"NSC774717","","","","","","","","","","","","","","","","","","","","NSC774717","","C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC(=C(C=C3)F)F)C4=NON=C4N","RKDKILJBYDCMPH-UHFFFAOYSA-N","628691",NA,"PDBC49721","774717","Present"
-"NSC774719","","","","","","","","","","","","","","","","","","","","NSC774719","","CC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N)OC","SNAHHWCKTZHBIF-UHFFFAOYSA-N","715538",NA,"PDBC49722","774719","Present"
-"NSC774730","","","","","","","","","","","","","","","","","","","","NSC774730","","CC1=C(N2C=CSC2=N1)C3=CSC(=N3)NC4=C(C=CC(=C4)OC)OC","UFXBHBODJVWXAU-UHFFFAOYSA-N","1144692",NA,"PDBC49723","774730","Present"
-"NSC774736","","","","","","","","","","","","","","","","","","","","NSC774736","","COC1=CC=C(C=C1)C2=C(N3C(=CC=N3)N=C2)C4=CC(=C(C(=C4)OC)OC)OC","DBNDVUHQTNPNKO-UHFFFAOYSA-N","91973365",NA,"PDBC49724","774736","Present"
-"NSC774775","","","","","","","","","","","","","","","","","","","","NSC774775","","CC1=C(C(=NC(=N1)NC2=NC3=CC=CC=C3O2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC5=CC(=C(C=C5)F)Cl","TUECRSIFQUKGJF-UHFFFAOYSA-N","155811510",NA,"PDBC49725","774775","Present"
-"NSC774788","","","","","","","","","","","","","","","","","","","","NSC774788","","CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C4=C(CCCCCC4)C(=O)O3","JCZPJUZPYAFEPZ-UHFFFAOYSA-N","73213193",NA,"PDBC49726","774788","Present"
-"NSC774793","","","","","","","","","","","","","","","","","","","","NSC774793","","COC1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)F","YSCXRPACUPGLEB-UHFFFAOYSA-N","155811511",NA,"PDBC49727","774793","Present"
-"NSC774802","","","","","","","","","","","","","","","","","","","","NSC774802","","C1=CC(=CC=C1C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F)F)Cl","CZIJPNJGTAZLHW-UHFFFAOYSA-N","155812823",NA,"PDBC49728","774802","Present"
-"NSC774809","","","","","","","","","","","","","","","","","","","","NSC774809","","C1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)F","LRZMEMMYVACYMI-UHFFFAOYSA-N","155806581",NA,"PDBC49729","774809","Present"
-"NSC774838","","","","","","","","","","","","","","","","","","","","NSC774838","","CC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)C)C2=O)CC4=CN(N=N4)CCNC5=C6C=CC(=CC6=NC=C5)Cl","LPFZIHMVUJIGJF-POAOKBCDSA-N","73050938",NA,"PDBC49730","774838","Present"
-"NSC774839","","","","","","","","","","","","","","","","","","","","NSC774839","","C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1CC4=CN(N=N4)CCNC5=C6C=CC(=CC6=NC=C5)Cl","COZVRRFUECBDMB-FEZYOMQXSA-N","73051239",NA,"PDBC49731","774839","Present"
-"NSC774840","","","","","","","","","","","","","","","","","","","","NSC774840","","C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1CC4=CN(N=N4)CCCNC5=C6C=CC(=CC6=NC=C5)Cl","PUKFSPOXBOPJFM-ZZZAPRPPSA-N","73051544",NA,"PDBC49732","774840","Present"
-"NSC774841","","","","","","","","","","","","","","","","","","","","NSC774841","","COC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)OC)C2=O)CC4=CN(N=N4)CCCNC5=C6C=CC(=CC6=NC=C5)Cl","NELXSVCJSBSDAH-UKOHILRMSA-N","73051390",NA,"PDBC49733","774841","Present"
-"NSC774842","","","","","","","","","","","","","","","","","","","","NSC774842","","COC1=C(C=C(C=C1)C=C2CN(CC(=CC3=CC(=C(C=C3)OC)OC)C2=O)CC4=CN(N=N4)CCCNC5=C6C=CC(=CC6=NC=C5)Cl)OC","XOEAQANKRUMQEK-ODBZBXGJSA-N","73051391",NA,"PDBC49734","774842","Present"
-"NSC774846","","","","","","","","","","","","","","","","","","","","NSC774846","","COC1=CC(=CC(=C1OC)OC)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N","DSBPHRGKYCJAIW-UHFFFAOYSA-N","155812825",NA,"PDBC49735","774846","Present"
-"NSC774857","","","","","","","","","","","","","","","","","","","","NSC774857","","CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)N6CCCC6","PLHXQVWQFFPPCT-UHFFFAOYSA-N","127041312",NA,"PDBC49736","774857","Present"
-"NSC774862","","","","","","","","","","","","","","","","","","","","NSC774862","","CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)OC","VVLWMJLHVYCQTB-UHFFFAOYSA-N","127041912",NA,"PDBC49737","774862","Present"
-"NSC774912","","","","","","","","","","","","","","","","","","","","NSC774912","","C1=CNC(=C1)C=C2C3=C(C=CC(=C3)NC(=O)CCCCCCC(=O)NO)NC2=O","BYONQPGKUFXDPQ-ATVHPVEESA-N","56932477",NA,"PDBC49738","774912","Present"
-"NSC774918","","","","","","","","","","","","","","","","","","","","NSC774918","","C1=CC=C(C(=C1)N)NC(=O)CCCCCCC(=O)NC2=CC3=C(C=C2)NC(=O)C3=CC4=CC=CN4","YBIREACTYDYGTB-PGMHBOJBSA-N","101882857",NA,"PDBC49739","774918","Present"
-"NSC775014","","","","","","","","","","","","","","","","","","","","NSC775014","","COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC","LJJUNMWDURTMQG-SREVYHEPSA-N","121304383",NA,"PDBC49740","775014","Present"
-"NSC775291","","","","","","","","","","","","","","","","","","","","NSC775291","","CC1=CC(=NC(=N1)NCCCNC2=C3C=CC(=CC3=NC=C2)Cl)NC4=CC=C(C=C4)OC","UOCKWYAEOPMTLA-UHFFFAOYSA-N","117826060",NA,"PDBC49741","775291","Present"
-"NSC775293","","","","","","","","","","","","","","","","","","","","NSC775293","","COC1=CC=C(C=C1)NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl","KHTSZJJMTVHZDV-UHFFFAOYSA-N","117826054",NA,"PDBC49742","775293","Present"
-"NSC775297","","","","","","","","","","","","","","","","","","","","NSC775297","","C1=CC(=CC=C1NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl)Cl","DTIQPDAPXYMPGT-UHFFFAOYSA-N","117826051",NA,"PDBC49743","775297","Present"
-"NSC775299","","","","","","","","","","","","","","","","","","","","NSC775299","","CC1=CC(=NC(=N1)NCCCNC2=C3C=CC(=CC3=NC=C2)Cl)NC4=CC=C(C=C4)Cl","ZVAHZSDSQDHLGK-UHFFFAOYSA-N","117826056",NA,"PDBC49744","775299","Present"
-"NSC775460","","","","","","","","","","","","","","","","","","","","NSC775460","","CCN(CC)C1=C2C=C(C(=CC2=NC(=C1)C=CC3=CC(=C(C=C3)OC)OC)F)F","BVPPRFMVCNXNEO-VQHVLOKHSA-N","155805262",NA,"PDBC49745","775460","Present"
-"NSC775463","","","","","","","","","","","","","","","","","","","","NSC775463","","C1COCCN1C2=C3C=C(C(=CC3=NC(=C2)C=CC4=CC=C(C=C4)Cl)Cl)Cl","NCLSBRIUEPQVHW-ZZXKWVIFSA-N","155809740",NA,"PDBC49746","775463","Present"
-"NSC775464","","","","","","","","","","","","","","","","","","","","NSC775464","","COC1=C(C=C(C=C1)C=CC2=CC(=C3C=C(C(=CC3=N2)F)F)N4CCOCC4)OC","MPXHWECGLGPMFL-HWKANZROSA-N","155812846",NA,"PDBC49747","775464","Present"
-"NSC775467","","","","","","","","","","","","","","","","","","","","NSC775467","","COC1=C(C=C(C=C1)C=CC2=NC3=CC(=C(C=C3C(=N2)N4CCOCC4)F)F)OC","XOAQDSYZDKCBQK-GQCTYLIASA-N","155805264",NA,"PDBC49748","775467","Present"
-"NSC775733","","","","","","","","","","","","","","","","","","","","NSC775733","","COC1=CC(=CC(=C1OC)OC)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Cl","DOCZLPTYIMZMNK-UHFFFAOYSA-N","155811536",NA,"PDBC49749","775733","Present"
-"NSC775739","","","","","","","","","","","","","","","","","","","","NSC775739","","COC1=CC(=CC(=C1OC)OC)CNC(=O)CCSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C(=C4)OC)OC)OC","UMGLNKOMPSKNBG-UHFFFAOYSA-N","155808427",NA,"PDBC49750","775739","Present"
-"NSC775760","","","","","","","","","","","","","","","","","","","","NSC775760","","CC1=C(NC(=C1C(=O)CCCCC(=O)OC2=CC3=C(C=C2)C4CCC5(C(C4CC3)CCC5O)C)C)C=C6C(=CC(=N6)C7=CC=CN7)OC","ZNLNKMVLYYHWDU-JUITVDJYSA-N","155809748",NA,"PDBC49751","775760","Present"
-"NSC775761","","","","","","","","","","","","","","","","","","","","NSC775761","","CC1=C(NC(=C1C(=O)CCC(=O)OC2=CC3=C(C=C2)C4CCC5(C(C4CC3)CCC5O)C)C)C=C6C(=CC(=N6)C7=CC=CN7)OC","YMKPOHWXVJSWFE-GTGKIEQBSA-N","155812857",NA,"PDBC49752","775761","Present"
-"NSC775762","","","","","","","","","","","","","","","","","","","","NSC775762","","","","",NA,"PDBC49753","775762","Present"
-"NSC775763","","","","","","","","","","","","","","","","","","","","NSC775763","","CCCCCC1=C(NC(=C1C)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C","UJWLAEMYBNPDMI-VAJFZCPGSA-N","155816202",NA,"PDBC49754","775763","Present"
-"NSC775905","","","","","","","","","","","","","","","","","","","","NSC775905","","B(C(CC(C)C)NC(=O)C=CCN1C=CC2=CC=CC=C2C1=O)(O)O","YDIGIFKDEAQQQC-WHWKNOJMSA-N","155805272",NA,"PDBC49755","775905","Present"
-"NSC775919","","","","","","","","","","","","","","","","","","","","NSC775919","","CC(=CCCC(=CCCC1=COC=C1)C)CCCN2CCOCC2","JIIGNEHBPAVUNX-XVWUSZKISA-N","155805274",NA,"PDBC49756","775919","Present"
-"NSC775978","","","","","","","","","","","","","","","","","","","","NSC775978","","COC1=CC=C(C=C1)C2=C(ON=C2)C3=CC4=C(C(=C3)OC)OCCO4","CXPSBTZKZXYZNU-UHFFFAOYSA-N","91973336",NA,"PDBC49757","775978","Present"
-"NSC775993","","","","","","","","","","","","","","","","","","","","NSC775993","","COC1=CC=CC=C1C2=NC3=C(C=C2)C(=C(S3)C(=O)C4=CC5=C(C=C4)OCO5)N","BMWJAYTXXQBSGO-UHFFFAOYSA-N","45490335",NA,"PDBC49758","775993","Present"
-"NSC776002","","","","","","","","","","","","","","","","","","","","NSC776002","","C1=CC2=C(C(=C1)NC(=O)C3=C(C=C(C=C3)Br)F)N=C(N2)C(F)(F)F","WSIXYCTZKAVNFC-UHFFFAOYSA-N","1511769",NA,"PDBC49759","776002","Present"
-"NSC776008","","","","","","","","","","","","","","","","","","","","NSC776008","","CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C4N3C=CC=N4)C","ZDZIMAFZTGCFOH-UHFFFAOYSA-N","1117188",NA,"PDBC49760","776008","Present"
-"NSC776015","","","","","","","","","","","","","","","","","","","","NSC776015","","C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=NC4=CC=CC=C4N3","ZQVWBWDSXXBVDK-UHFFFAOYSA-N","664409",NA,"PDBC49761","776015","Present"
-"NSC776445","","","","","","","","","","","","","","","","","","","","NSC776445","","CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3CC(=NN3C=O)C4=CC=C(C=C4)OC)OC","OTECXOKQYAOQOI-UHFFFAOYSA-N","155806609",NA,"PDBC49762","776445","Present"
-"NSC776452","","","","","","","","","","","","","","","","","","","","NSC776452","","COC1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","ROSNJQLTTBEFFX-UHFFFAOYSA-N","155806611",NA,"PDBC49763","776452","Present"
-"NSC776453","","","","","","","","","","","","","","","","","","","","NSC776453","","COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C3=CC=CC=C3)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","DHTWJAHHBCNMDN-UHFFFAOYSA-N","155816208",NA,"PDBC49764","776453","Present"
-"NSC776455","","","","","","","","","","","","","","","","","","","","NSC776455","","COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","BDHURAVMYGMWPM-UHFFFAOYSA-N","155805278",NA,"PDBC49765","776455","Present"
-"NSC776456","","","","","","","","","","","","","","","","","","","","NSC776456","","COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","JEJLKEDWPYMTHA-UHFFFAOYSA-N","155811545",NA,"PDBC49766","776456","Present"
-"NSC776467","","","","","","","","","","","","","","","","","","","","NSC776467","","C1C(NC2=NC(=NC(=C2N=C1C3=CC=CC=C3)N)N)C4=C(N=C(S4)Cl)Cl","WYUKCGZVMOYEDC-UHFFFAOYSA-N","118732447",NA,"PDBC49767","776467","Present"
-"NSC776469","","","","","","","","","","","","","","","","","","","","NSC776469","","C1C(NC2=NC(=NC(=C2N=C1C3=CC4=C(C=C3)OCO4)N)N)C5=C(N=C(S5)Cl)Cl","DEHIDZSSYWOFAM-UHFFFAOYSA-N","118732453",NA,"PDBC49768","776469","Present"
-"NSC776477","","","","","","","","","","","","","","","","","","","","NSC776477","","CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)Cl)C7=CC=CC=C7)C(=O)C","GKUFESRACBUDPS-UHFFFAOYSA-N","155816213",NA,"PDBC49769","776477","Present"
-"NSC776480","","","","","","","","","","","","","","","","","","","","NSC776480","","COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","QHGLZMFCGNUTSF-UHFFFAOYSA-N","155811547",NA,"PDBC49770","776480","Present"
-"NSC776678","","","","","","","","","","","","","","","","","","","","NSC776678","","CC1=CC(=NC2=C1C3=C(S2)C(=NC=N3)NC4=CC=C(C=C4)Cl)C","WYMHRCSVXKPCRS-UHFFFAOYSA-N","132524182",NA,"PDBC49771","776678","Present"
-"NSC776733","","","","","","","","","","","","","","","","","","","","NSC776733","","CC1=NN2C(C3=C(C(=CC4=CC(=C(C=C4)OC)OC)CCC3)N=C2S1)C5=CC(=C(C=C5)OC)OC","MEWOMPXVIDZRSU-QGOAFFKASA-N","155808432",NA,"PDBC49772","776733","Present"
-"NSC776744","","","","","","","","","","","","","","","","","","","","NSC776744","","COC1=C(C=C(C=C1)C=C2CCCC3=C2N=C4N(C3C5=CC(=C(C=C5)OC)OC)N=CS4)OC","APZROMZOLPUZAC-SFQUDFHCSA-N","155816219",NA,"PDBC49773","776744","Present"
-"NSC776788","","","","","","","","","","","","","","","","","","","","NSC776788","","CC1=NN2C(C3=C(C(=CC4=CC(=C(C(=C4)OC)OC)OC)CCC3)N=C2S1)C5=CC(=C(C(=C5)OC)OC)OC","HBMVSMPVKORFSO-WOJGMQOQSA-N","155814688",NA,"PDBC49774","776788","Present"
-"NSC776818","","","","","","","","","","","","","","","","","","","","NSC776818","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC=C(C=C3)Br","LTBBVAWWKFFRQH-UHFFFAOYSA-N","155809761",NA,"PDBC49775","776818","Present"
-"NSC776874","","","","","","","","","","","","","","","","","","","","NSC776874","","C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C4=NC=CC(=N4)NC5=CC=C(C=C5)Cl","KCJPBVRKFJGIRC-UHFFFAOYSA-N","117827343",NA,"PDBC49776","776874","Present"
-"NSC776875","","","","","","","","","","","","","","","","","","","","NSC776875","","C1CCC(CC1)NC2=NC=CC(=N2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl","RHIKTNLBIFVJHV-UHFFFAOYSA-N","117827344",NA,"PDBC49777","776875","Present"
-"NSC776877","","","","","","","","","","","","","","","","","","","","NSC776877","","CC1=CC(=NC(=N1)NC2CCCCC2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl","GOFRMCLRQCRQTI-UHFFFAOYSA-N","117827352",NA,"PDBC49778","776877","Present"
-"NSC776878","","","","","","","","","","","","","","","","","","","","NSC776878","","CC1=CC(=NC(=N1)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)NC5=CC(=CC(=C5)OC)OC","URRHSCSKLMBQLO-UHFFFAOYSA-N","117827307",NA,"PDBC49779","776878","Present"
-"NSC776879","","","","","","","","","","","","","","","","","","","","NSC776879","","CC1=CC(=NC(=N1)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)NC5=CC=C(C=C5)OC","KRUHDRMYMCZUMX-UHFFFAOYSA-N","117827519",NA,"PDBC49780","776879","Present"
-"NSC776990","","","","","","","","","","","","","","","","","","","","NSC776990","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)C3(CCN(CC3)CC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5","IKBYBHBSZPXPIL-BHVANESWSA-N","90681620",NA,"PDBC49781","776990","Present"
-"NSC776999","","","","","","","","","","","","","","","","","","","","NSC776999","","B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N2C=CC(=CC2=O)NC3=CC=CC=C3)(O)O","RPGWLEZIJQWSOZ-PKTZIBPZSA-N","155805291",NA,"PDBC49782","776999","Present"
-"NSC777000","","","","","","","","","","","","","","","","","","","","NSC777000","","B(C(CC(C)C)NC(=O)CN1C=CC=C(C1=O)CNC(=O)C2=CC=CC=C2)(O)O","PZGXLHPXJUCDHZ-KRWDZBQOSA-N","155816224",NA,"PDBC49783","777000","Present"
-"NSC777001","","","","","","","","","","","","","","","","","","","","NSC777001","","B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N2C=CC(=CC2=O)N3CCCCC3)(O)O","ZTNKUCDISQRJAN-VXKWHMMOSA-N","155806625",NA,"PDBC49784","777001","Present"
-"NSC777002","","","","","","","","","","","","","","","","","","","","NSC777002","","B(C(CC(C)C)NC(=O)CN1C=CC(=CC1=O)NCC2=CC=CC=C2)(O)O","NQCGUMKWRSTBKL-KRWDZBQOSA-N","155816225",NA,"PDBC49785","777002","Present"
-"NSC777123","","","","","","","","","","","","","","","","","","","","NSC777123","","CC1=CC(=NC(=N1)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)NC5=CC=C(C=C5)F","WBCSZYABXFZBIK-UHFFFAOYSA-N","117827520",NA,"PDBC49786","777123","Present"
-"NSC777191","","","","","","","","","","","","","","","","","","","","NSC777191","","CC(C)CNC(=O)C1=CC(=C(C=C1)NC(=O)N(CC(C)C)C(=O)C2=CC(=C(C=C2)N)OCCCN)OCCCN=C(N)N","RJYVBWMPGBRODD-UHFFFAOYSA-N","155808440",NA,"PDBC49787","777191","Present"
-"NSC777192","","","","","","","","","","","","","","","","","","","","NSC777192","","CC(C)OC1=CC(=CC(=C1)OCC(=O)O)C(=O)N(CCC(=O)N)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC(C)C","SAZQYLWRYPVAGO-UHFFFAOYSA-N","155805297",NA,"PDBC49788","777192","Present"
-"NSC777304","","","","","","","","","","","","","","","","","","","","NSC777304","","C1=CC(=CC=C1C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl)F)Cl","JPSJJUHQASLOBN-UHFFFAOYSA-N","155814706",NA,"PDBC49789","777304","Present"
-"NSC777306","","","","","","","","","","","","","","","","","","","","NSC777306","","CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C4=C(CCCCC4)C(=O)O3","CASREVCQIRCPJB-UHFFFAOYSA-N","155808441",NA,"PDBC49790","777306","Present"
-"NSC777312","","","","","","","","","","","","","","","","","","","","NSC777312","","C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)F","BGFQQUWPIHKHKK-UHFFFAOYSA-N","155816231",NA,"PDBC49791","777312","Present"
-"NSC777323","","","","","","","","","","","","","","","","","","","","NSC777323","","C1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F)F","MZOQEWBNFMWZMD-UHFFFAOYSA-N","155812882",NA,"PDBC49792","777323","Present"
-"NSC777332","","","","","","","","","","","","","","","","","","","","NSC777332","","COC1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)F","BMPNTUNHNVJUNF-UHFFFAOYSA-N","155805300",NA,"PDBC49793","777332","Present"
-"NSC777333","","","","","","","","","","","","","","","","","","","","NSC777333","","C1=CC(=CC=C1C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)F)Cl","JYKWJMYHMSGBPM-UHFFFAOYSA-N","155816233",NA,"PDBC49794","777333","Present"
-"NSC777464","","","","","","","","","","","","","","","","","","","","NSC777464","","C1=CC2=C(C(=C1)NC(=O)C3=C(C=CC(=C3)Cl)Cl)N=C(N2)C(F)(F)F","ZMLKUQHUEKYICV-UHFFFAOYSA-N","5298790",NA,"PDBC49795","777464","Present"
-"NSC777484","","","","","","","","","","","","","","","","","","","","NSC777484","","C1=CC(=CC=C1NC2=NC3=NON=C3N=C2NC4=CC=C(C=C4)F)F","YZIQCRJJYTYRFD-UHFFFAOYSA-N","698543",NA,"PDBC49796","777484","Present"
-"NSC777486","","","","","","","","","","","","","","","","","","","","NSC777486","","COC1=CC=C(C2=CC=CC=C21)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3","XPMLDKVBJLRJJO-UHFFFAOYSA-N","1037819",NA,"PDBC49797","777486","Present"
-"NSC777495","","","","","","","","","","","","","","","","","","","","NSC777495","","COC1=CC(=C(C=C1)OC)NC2=NC3=NON=C3N=C2NC4=CC(=CC=C4)Br","WRYICVOGEPNDKU-UHFFFAOYSA-N","1252867",NA,"PDBC49798","777495","Present"
-"NSC777506","","","","","","","","","","","","","","","","","","","","NSC777506","","COC1=CC=C(C=C1)C(=O)C=CC2=CC3=C(C(=C2)OC)OCC(=O)N3","LERZILDGTGAMIX-FPYGCLRLSA-N","91973514",NA,"PDBC49799","777506","Present"
-"NSC777534","","","","","","","","","","","","","","","","","","","","NSC777534","","CC1=CC=CC=C1S(=O)(=O)N2C(C=C(C2C3=CC=C(C=C3)Cl)C(=O)NC(CC4=CC=CC=C4)C(=O)N)C(C)(C)C","CUNKAJLTIPWYJR-KJYTXNCISA-N","124425167",NA,"PDBC49800","777534","Present"
-"NSC777737","","","","","","","","","","","","","","","","","","","","NSC777737","","C1=CC(=CC(=C1)F)COC2=C(C=C3C(=C2)C=NC=N3)NC(=O)NC4=CC(=CC=C4)Cl","JSFRGVABCDURED-UHFFFAOYSA-N","142729121",NA,"PDBC49801","777737","Present"
-"NSC777886","","","","","","","","","","","","","","","","","","","","NSC777886","","B(C(CC(C)C)NC(=O)CCN1C=CC2=CC=CC=C2C1=O)(O)O","QCKLWTRAVKQTPI-HNNXBMFYSA-N","90645049",NA,"PDBC49802","777886","Present"
-"NSC777944","","","","","","","","","","","","","","","","","","","","NSC777944","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)C3=CC=C(C=C3)Cl)C=CC4=CC(=C(C=C4)O)OC)O","LWZFYJYBKALKSD-HMMKTVFPSA-N","155805311",NA,"PDBC49803","777944","Present"
-"NSC777945","","","","","","","","","","","","","","","","","","","","NSC777945","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)CC3=CC=CC=C3)C=CC4=CC(=C(C=C4)O)OC)O","XDJACOZCPZTTPJ-QHKWOANTSA-N","155816241",NA,"PDBC49804","777945","Present"
-"NSC777946","","","","","","","","","","","","","","","","","","","","NSC777946","","COC1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC","XYXBVASAGYMYPQ-ZVSIBQGLSA-N","155811574",NA,"PDBC49805","777946","Present"
-"NSC777947","","","","","","","","","","","","","","","","","","","","NSC777947","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)N)C=CC3=CC(=C(C=C3)O)OC)O","HVTSVGLLJGNWME-FCXRPNKRSA-N","135857202",NA,"PDBC49806","777947","Present"
-"NSC778301","","","","","","","","","","","","","","","","","","","","NSC778301","","CC1=C(C(=C(S1)C)C2=CC=C(O2)CO)C3=CC=C(O3)CO","YIYYZJJTYZQLSG-UHFFFAOYSA-N","155809789",NA,"PDBC49807","778301","Present"
-"NSC778351","","","","","","","","","","","","","","","","","","","","NSC778351","","CCCCCCCC(CC(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)N4CCCC4C(=O)NC(CCCCN)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC(C)C)C(=O)NC(CC6=CNC=N6)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC7=CC=CC=C7)C(=O)O)O","LWWBKIQUGZBWNR-WOZCRJSDSA-N","155812899",NA,"PDBC49808","778351","Present"
-"NSC778436","","","","","","","","","","","","","","","","","","","","NSC778436","","CN(C)CC(=O)NC1=CC=C(C=C1)CN2C3=C(C(=O)C4=C(C3=O)N=NN4CC5=CC=C(C=C5)NC(=O)CN(C)C)N=N2","ZXBJORKVVITKOZ-UHFFFAOYSA-N","155808462",NA,"PDBC49809","778436","Present"
-"NSC778437","","","","","","","","","","","","","","","","","","","","NSC778437","","C1COCCN1CCC(=O)NC2=CC=C(C=C2)CN3C4=C(C(=O)C5=C(C4=O)N=NN5CC6=CC=C(C=C6)NC(=O)CCN7CCOCC7)N=N3","IUWAGERQLWLXRX-UHFFFAOYSA-N","155809793",NA,"PDBC49810","778437","Present"
-"NSC778438","","","","","","","","","","","","","","","","","","","","NSC778438","","CCN(CC)CCC(=O)NC1=CC=C(C=C1)CN2C3=C(C(=O)C4=C(C3=O)N=NN4CC5=CC=C(C=C5)NC(=O)CCN(CC)CC)N=N2","TXZCVDVMSSUSFX-UHFFFAOYSA-N","155814732",NA,"PDBC49811","778438","Present"
-"NSC778439","","","","","","","","","","","","","","","","","","","","NSC778439","","C1COCCN1CC(=O)NC2=CC=C(C=C2)CN3C4=C(C(=O)C5=C(C4=O)N=NN5CC6=CC=C(C=C6)NC(=O)CN7CCOCC7)N=N3","RBVPOITYPIPPMO-UHFFFAOYSA-N","155812901",NA,"PDBC49812","778439","Present"
-"NSC778440","","","","","","","","","","","","","","","","","","","","NSC778440","","C1COCCN1CCCC(=O)NC2=CC=C(C=C2)CN3C4=C(C(=O)C5=C(C4=O)N=NN5CC6=CC=C(C=C6)NC(=O)CCCN7CCOCC7)N=N3","CHEJEXFPLZYKQC-UHFFFAOYSA-N","155809794",NA,"PDBC49813","778440","Present"
-"NSC778441","","","","","","","","","","","","","","","","","","","","NSC778441","","C1COCCN1CCCCC(=O)NC2=CC=C(C=C2)CN3C4=C(C(=O)C5=C(C4=O)N=NN5CC6=CC=C(C=C6)NC(=O)CCCCN7CCOCC7)N=N3","YVEFYWRMXOWVOA-UHFFFAOYSA-N","155812902",NA,"PDBC49814","778441","Present"
-"NSC778442","","","","","","","","","","","","","","","","","","","","NSC778442","","CN(C)CCCC(=O)NC1=CC=C(C=C1)CN2C3=C(C(=O)C4=C(C3=O)N=NN4CC5=CC=C(C=C5)NC(=O)CCCN(C)C)N=N2","JFXLWAKPLGPIMV-UHFFFAOYSA-N","155809795",NA,"PDBC49815","778442","Present"
-"NSC778538","","","","","","","","","","","","","","","","","","","","NSC778538","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)N4CCN(CC4)C5=NC(=NC=C5)N6CCOCC6","VIFXJRIMBXRUQP-UHFFFAOYSA-N","155814735",NA,"PDBC49816","778538","Present"
-"NSC778540","","","","","","","","","","","","","","","","","","","","NSC778540","","CN1CCN(CC1)C2=NC=CC(=N2)N3CCN(CC3)C4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC","XJGNHTOSMDVKIT-UHFFFAOYSA-N","155816247",NA,"PDBC49817","778540","Present"
-"NSC778556","","","","","","","","","","","","","","","","","","","","NSC778556","","COC1=CC=C(C=C1)C(=O)C=CC2=C(C3=C(C(=C2Cl)OC)OCC(=O)N3)Cl","MXBKBEXWQUUBAE-BQYQJAHWSA-N","91973339",NA,"PDBC49818","778556","Present"
-"NSC778566","","","","","","","","","","","","","","","","","","","","NSC778566","","CC(=O)N1CC(=CC1=O)NC2=CC=C(C=C2)OC(F)(F)F","OCINPTWXAIUVQY-UHFFFAOYSA-N","91973231",NA,"PDBC49819","778566","Present"
-"NSC778665","","","","","","","","","","","","","","","","","","","","NSC778665","","CC1=C(NC(=C1C(=O)CCCCCCCCC(=O)OC2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C)C)C=C6C(=CC(=N6)C7=CC=CN7)OC","BNEUDTMOUTXWLP-XJTFCQMLSA-N","155811585",NA,"PDBC49820","778665","Present"
-"NSC778770","","","","","","","","","","","","","","","","","","","","NSC778770","","C1=CC2=C(N=C1)SC3=C2N=CN=C3NC4=C(C=C(C=C4)Cl)Cl","HMTYGWWFWIGTBL-UHFFFAOYSA-N","155809797",NA,"PDBC49821","778770","Present"
-"NSC778776","","","","","","","","","","","","","","","","","","","","NSC778776","","C1=CC2=C(N=C1)SC3=C2N=CN=C3NC4=CC=C(C=C4)O","YHOKCCHNYKMRGK-UHFFFAOYSA-N","110435127",NA,"PDBC49822","778776","Present"
-"NSC779185","","","","","","","","","","","","","","","","","","","","NSC779185","","","","",NA,"PDBC49823","779185","Present"
-"NSC779306","","","","","","","","","","","","","","","","","","","","NSC779306","","CC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC","OSNQHJORPIKFIV-UHFFFAOYSA-N","142727304",NA,"PDBC49824","779306","Present"
-"NSC779388","","","","","","","","","","","","","","","","","","","","NSC779388","","C1=CC(=CC=C1C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)F)Cl","KTVJHINLHHYGIU-UHFFFAOYSA-N","155813167",NA,"PDBC49825","779388","Present"
-"NSC779393","","","","","","","","","","","","","","","","","","","","NSC779393","","C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","OBPJYXHIFUJYPS-UHFFFAOYSA-N","155805335",NA,"PDBC49826","779393","Present"
-"NSC779401","","","","","","","","","","","","","","","","","","","","NSC779401","","CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","VGVPFRCBGFKDGZ-UHFFFAOYSA-N","155805336",NA,"PDBC49827","779401","Present"
-"NSC780182","","","","","","","","","","","","","","","","","","","","NSC780182","","COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC","UZKKILPKTGXAIO-FPLPWBNLSA-N","132114229",NA,"PDBC49828","780182","Present"
-"NSC780184","","","","","","","","","","","","","","","","","","","","NSC780184","","CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC","ZBVAZQZIWKBQSC-HJWRWDBZSA-N","132113940",NA,"PDBC49829","780184","Present"
-"NSC780423","","","","","","","","","","","","","","","","","","","","NSC780423","","CC(C)C1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C(C)C)OC(=O)C=CC4=CC=CC=C4","DBUNANQJITZEGC-OEQSYINVSA-N","155813728",NA,"PDBC49830","780423","Present"
-"NSC780576","","","","","","","","","","","","","","","","","","","","NSC780576","","CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O","NLZLIUCRXRXNOP-UHFFFAOYSA-N","2211741",NA,"PDBC49831","780576","Present"
-"NSC780876","","","","","","","","","","","","","","","","","","","","NSC780876","","CN(C1CCCCC1)C2=C(C=C3C(=C2)N=CC(=O)N3)NC(=NCC4=CC=C(C=C4)Cl)N","TXWASLYBJIVVNP-UHFFFAOYSA-N","53465543",NA,"PDBC49832","780876","Present"
-"NSC780931","","","","","","","","","","","","","","","","","","","","NSC780931","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCCCNC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","LYTQQLYWFOFSTN-IPZJNBEYSA-N","121390856",NA,"PDBC49833","780931","Present"
-"NSC780985","","","","","","","","","","","","","","","","","","","","NSC780985","","CC1=C2C3=CC(=C(N=C3)OC)NS(=O)(=O)C4=CC=CC(=C4)C(=O)NCC5=CC=C(S5)C6=NC=NC1=C6S2","LPJAKJUVEMSSSX-UHFFFAOYSA-N","71041613",NA,"PDBC49834","780985","Present"
-"NSC781076","","","","","","","","","","","","","","","","","","","","NSC781076","","CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=CC=CC=C4N)C)C","CKJOMRSASMGWLL-BTYYGVTHSA-N","129047088",NA,"PDBC49835","781076","Present"
-"NSC781077","","","","","","","","","","","","","","","","","","","","NSC781077","","CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=CC=C(C=C4)N)C)C","GEICLPFKYPNBGR-BTYYGVTHSA-N","129047076",NA,"PDBC49836","781077","Present"
-"NSC781078","","","","","","","","","","","","","","","","","","","","NSC781078","","CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=C(C=C(C=C4)N)F)C)C","DEJNWHMCGXZMCR-IIWZZNCKSA-N","129047151",NA,"PDBC49837","781078","Present"
-"NSC781079","","","","","","","","","","","","","","","","","","","","NSC781079","","CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=CC(=C(C=C4)N)C(F)(F)F)C)C","CVSUJONFLKPZRI-IIWZZNCKSA-N","129047156",NA,"PDBC49838","781079","Present"
-"NSC781080","","","","","","","","","","","","","","","","","","","","NSC781080","","CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=CC(=C(C=C4)N)F)C)C","GHEACUPMEITBCD-IIWZZNCKSA-N","129047163",NA,"PDBC49839","781080","Present"
-"NSC781082","","","","","","","","","","","","","","","","","","","","NSC781082","","CC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)Cl)NCC3=CC(=C(C=C3)C)O)O","WNTAQMQIZGJASL-UHFFFAOYSA-N","154824629",NA,"PDBC49840","781082","Present"
-"NSC781084","","","","","","","","","","","","","","","","","","","","NSC781084","","C1C(C(SS1)CN2C=NC3=C(N=CN=C32)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)O","GFZWZMPXHOGCGO-UHFFFAOYSA-N","155810155",NA,"PDBC49841","781084","Present"
-"NSC781091","","","","","","","","","","","","","","","","","","","","NSC781091","","","","",NA,"PDBC49842","781091","Present"
-"NSC781094","","","","","","","","","","","","","","","","","","","","NSC781094","","COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CC=CC=N4)OC)C(=O)OCC5=CC=CC=N5","KHCSBCXYWDALIA-YKSAKOAQSA-N","155806298",NA,"PDBC49843","781094","Present"
-"NSC781095","","","","","","","","","","","","","","","","","","","","NSC781095","","COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CN=CC=C4)OC)C(=O)OCC5=CN=CC=C5","KGIHLAIKYCDWBW-VLVTZEHGSA-N","155814986",NA,"PDBC49844","781095","Present"
-"NSC781096","","","","","","","","","","","","","","","","","","","","NSC781096","","COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CN=CC=C4)OC)C(=O)OCC5=CN=CC=C5","KGIHLAIKYCDWBW-PWUBOQMHSA-N","155808692",NA,"PDBC49845","781096","Present"
-"NSC781097","","","","","","","","","","","","","","","","","","","","NSC781097","","COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CC=NC=C4)OC)C(=O)OCC5=CC=NC=C5","WPGMOQSEFMSICF-YKSAKOAQSA-N","155809436",NA,"PDBC49846","781097","Present"
-"NSC781098","","","","","","","","","","","","","","","","","","","","NSC781098","","COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=NC=NC=C4)OC)C(=O)OCC5=NC=NC=C5","XMEFVYAGPCUDCB-JXPYRENWSA-N","155810782",NA,"PDBC49847","781098","Present"
-"NSC781099","","","","","","","","","","","","","","","","","","","","NSC781099","","COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CN=CN=C4)OC)C(=O)OCC5=CN=CN=C5","UDVTWMRUJQNOOC-JXPYRENWSA-N","155808659",NA,"PDBC49848","781099","Present"
-"NSC781101","","","","","","","","","","","","","","","","","","","","NSC781101","","CN1C(=CC=N1)SCCOC(=O)C2=C3C=CC(O3)(CCCCCCCCC(=O)C(=C4C=CC(O4)(CCCCCCCCC2=O)OC)C(=O)OCCSC5=CC=NN5C)OC","RNBNLVQYLVYJDS-OVTCTGMWSA-N","155806260",NA,"PDBC49849","781101","Present"
-"NSC781102","","","","","","","","","","","","","","","","","","","","NSC781102","","COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CN=C(S4)SC)OC)C(=O)OCC5=CSC(=N5)SC","JTBKZBMREPSCBF-SGRXOXICSA-N","155808782",NA,"PDBC49850","781102","Present"
-"NSC781129","","","","","","","","","","","","","","","","","","","","NSC781129","","CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F","VFPYGNNOSJWBHF-UHFFFAOYSA-N","72188643",NA,"PDBC49851","781129","Present"
-"NSC781136","","","","","","","","","","","","","","","","","","","","NSC781136","","COC1=CC=C(C=C1)CCN2CCCN3C2=NC4=CC=CC=C4C3=O","QQHKTLHOSWQWPU-UHFFFAOYSA-N","155806269",NA,"PDBC49852","781136","Present"
-"NSC781137","","","","","","","","","","","","","","","","","","","","NSC781137","","COC1=CC=C(C=C1)CCN2CCCN3C2=NC4=CC=CC=C4S3(=O)=O","DSTPKZCAHSCJPM-UHFFFAOYSA-N","102366105",NA,"PDBC49853","781137","Present"
-"NSC781140","","","","","","","","","","","","","","","","","","","","NSC781140","","COC1=CC=C(C=C1)CCN2CC=CN3C2=NC4=CC=CC=C4C3=O","HQCFHCFLGSDNNE-UHFFFAOYSA-N","132520978",NA,"PDBC49854","781140","Present"
-"NSC781173","","","","","","","","","","","","","","","","","","","","NSC781173","","","","",NA,"PDBC49855","781173","Present"
-"NSC781303","","","","","","","","","","","","","","","","","","","","NSC781303","","C1=CC=C2C(=C1)C=NN=C2OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl","JDNSTJTXHGHGDS-UHFFFAOYSA-N","155816402",NA,"PDBC49856","781303","Present"
-"NSC781304","","","","","","","","","","","","","","","","","","","","NSC781304","","C1=CC=C2C(=C1)C=NN=C2NC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl","DQDNQNFUVLUVOU-UHFFFAOYSA-N","155810542",NA,"PDBC49857","781304","Present"
-"NSC781309","","","","","","","","","","","","","","","","","","","","NSC781309","","CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl","DXNVLQABDSQJPY-UHFFFAOYSA-N","155812215",NA,"PDBC49858","781309","Present"
-"NSC781433","","","","","","","","","","","","","","","","","","","","NSC781433","","C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=CC=CC=C6N(C5=O)CC7=CC=CC=C7)O)OO2","SOPQDALOHMWZCZ-UHFFFAOYSA-N","155806930",NA,"PDBC49859","781433","Present"
-"NSC781434","","","","","","","","","","","","","","","","","","","","NSC781434","","C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)F)N(C5=O)CC7=CC=CC=C7)O)OO2","ONLANXSSYRPCDT-UHFFFAOYSA-N","155808575",NA,"PDBC49860","781434","Present"
-"NSC781435","","","","","","","","","","","","","","","","","","","","NSC781435","","C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)Cl)N(C5=O)CC7=CC=CC=C7)O)OO2","DFEIUYXRXYRPAN-UHFFFAOYSA-N","155810581",NA,"PDBC49861","781435","Present"
-"NSC781436","","","","","","","","","","","","","","","","","","","","NSC781436","","C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)Br)NC5=O)O)OO2","MMSCMCMBECIODB-UHFFFAOYSA-N","155816786",NA,"PDBC49862","781436","Present"
-"NSC781437","","","","","","","","","","","","","","","","","","","","NSC781437","","C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)Br)N(C5=O)CC7=CC=CC=C7)O)OO2","VISSILYMOFKRGN-UHFFFAOYSA-N","155816380",NA,"PDBC49863","781437","Present"
-"NSC781439","","","","","","","","","","","","","","","","","","","","NSC781439","","C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)F)NC5=O)O)OO2","NQZPYAAFYFPBGJ-UHFFFAOYSA-N","155807170",NA,"PDBC49864","781439","Present"
-"NSC781440","","","","","","","","","","","","","","","","","","","","NSC781440","","C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)Cl)NC5=O)O)OO2","JUPRKFJJLWKKIQ-UHFFFAOYSA-N","155811687",NA,"PDBC49865","781440","Present"
-"NSC781445","","","","","","","","","","","","","","","","","","","","NSC781445","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(CC3C(=C)CCC4C3(CCC(C4(C)COC(=O)C)OC(=O)C)C)C5=CCOC5=O","HIJGEBDYAVHRCK-OZYDSSMCSA-N","155816659",NA,"PDBC49866","781445","Present"
-"NSC781466","","","","","","","","","","","","","","","","","","","","NSC781466","","B1(OC2CCC(CC2O1)CC(C(=O)NC(CC3=CC4=C(C=C3)OB(O4)C(CC(C)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6=NC=CN=C6)C(=O)NC(CC7=CC8=C(C=C7)OB(O8)C(CC(C)C)NC(=O)C(CC9=CC=CC=C9)NC(=O)C1=NC=CN=C1)C(=O)NCCCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CC1=CC=CC=C1)CC(=O)O)CCCNC(=N)N)N)C(CC(C)C)NC(=O)C(CC1CCCCC1)NC(=O)C1CNCCN1","VVBIPKURTKHKCV-HCQXNYSJSA-N","155805980",NA,"PDBC49867","781466","Present"
-"NSC781471","","","","","","","","","","","","","","","","","","","","NSC781471","","B1(OC2C(OC(C(C2O1)O)C(=O)NCCCCC3C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N3)CC4=CC=CC=C4)CC(=O)O)CCCN=C(N)N)CN)C(CC(C)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6=NC=CN=C6","ZQGOZVXWQFXQFT-SUVQGPRRSA-N","155805658",NA,"PDBC49868","781471","Present"
-"NSC781491","","","","","","","","","","","","","","","","","","","","NSC781491","","CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C(=C3)C(F)(F)F)C4=CC=C(C=C4)N)C)C","FZYSVVRVZAMZSG-UZJCWIEUSA-N","129047078",NA,"PDBC49869","781491","Present"
-"NSC781492","","","","","","","","","","","","","","","","","","","","NSC781492","","CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=C(C=C(C=C4)N)C(F)(F)F)C)C","QFOAELMIIBDFQY-IIWZZNCKSA-N","129047149",NA,"PDBC49870","781492","Present"
-"NSC781494","","","","","","","","","","","","","","","","","","","","NSC781494","","CC(=O)C1=CC=C(C=C1)C2CC3(C(CCC3(C(C#C)(F)F)O)C4C2=C5CCC(=O)C=C5CC4)C","NMSKVLHBNDTYTF-WKWWZUSTSA-N","155815130",NA,"PDBC49871","781494","Present"
-"NSC781551","","","","","","","","","","","","","","","","","","","","NSC781551","","CCCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C=CC(=O)C3=CC=NC=C3","UYIUMIAGZFCLKR-FNORWQNLSA-N","118118795",NA,"PDBC49872","781551","Present"
-"NSC781595","","","","","","","","","","","","","","","","","","","","NSC781595","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=C(N4)C=CC(=C5)OC","CKACGFRPHWJYPP-LYIDXHOBSA-N","155808626",NA,"PDBC49873","781595","Present"
-"NSC781596","","","","","","","","","","","","","","","","","","","","NSC781596","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=C(N4)C=CC(=C5)Cl","JKROFEPRZWSJPJ-QGEJRNGNSA-N","155810362",NA,"PDBC49874","781596","Present"
-"NSC781615","","","","","","","","","","","","","","","","","","","","NSC781615","","CCCOC1=CC2=CC=CC=C2C=C1C(=O)NC3=NC(=C4C5=CC=NC5=CC=C4N3)N","MAXHHERSVIWPEB-UHFFFAOYSA-N","155808916",NA,"PDBC49875","781615","Present"
-"NSC781616","","","","","","","","","","","","","","","","","","","","NSC781616","","CCCOC1=CC2=CC=CC=C2C=C1C(=O)NC3=NC(=C4C5=CC=NC5=CC=C4N3)NC","OMZFTTFKAYXMCW-UHFFFAOYSA-N","155814904",NA,"PDBC49876","781616","Present"
-"NSC781640","","","","","","","","","","","","","","","","","","","","NSC781640","","COC1=C(C=CC(=C1)C=CC2=CC(=NC(=O)N2C3=C(C=CC=C3Cl)Cl)C=CC4=CC(=C(C=C4)O)OC)O","JRENUUFXCBXHNP-JMQWPVDRSA-N","155808806",NA,"PDBC49877","781640","Present"
-"NSC781769","","","","","","","","","","","","","","","","","","","","NSC781769","","C=CCNC1=NC(=C(S1)C=C2C=NC3=C2C=CC=N3)O","FGQMZRYKIMITLZ-VQHVLOKHSA-N","155813794",NA,"PDBC49878","781769","Present"
-"NSC781772","","","","","","","","","","","","","","","","","","","","NSC781772","","CCNC1=NC(=C(S1)C=C2C=NC3=C2C=CC=N3)O","JNLWLSMMWWDTRD-SOFGYWHQSA-N","155812558",NA,"PDBC49879","781772","Present"
-"NSC781860","","","","","","","","","","","","","","","","","","","","NSC781860","","CC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)C)C)CC(C3=CCOC3=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5)C","FXOOOBWGDNSJQJ-ZPORCILFSA-N","155812556",NA,"PDBC49880","781860","Present"
-"NSC781861","","","","","","","","","","","","","","","","","","","","NSC781861","","CC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)C)C)CC(C3=CCOC3=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)C","ZUTBSFXWIUVBBQ-OZYDSSMCSA-N","155805925",NA,"PDBC49881","781861","Present"
-"NSC781862","","","","","","","","","","","","","","","","","","","","NSC781862","","CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(CC3C(=C)CCC4C3(CCC(C4(C)COC(=O)C)OC(=O)C)C)C5=CCOC5=O","IJNBMIQURQJNEO-IEUFPAPRSA-N","155815403",NA,"PDBC49882","781862","Present"
-"NSC781863","","","","","","","","","","","","","","","","","","","","NSC781863","","CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(CC2C(=C)CCC3C2(CCC(C3(C)COC(=O)C)OC(=O)C)C)C4=CCOC4=O","BPHHHXVBHLRGAE-VUIXFHSUSA-N","127034746",NA,"PDBC49883","781863","Present"
-"NSC781954","","","","","","","","","","","","","","","","","","","","NSC781954","","COC1=C(C=C2C(=C1)C(=NC=N2)N3C4=C(C=C(C=C4)NC(=O)NC5=CC=CC=C5)C=N3)OC","VYRGQOGLPPLFLW-UHFFFAOYSA-N","155807504",NA,"PDBC49884","781954","Present"
-"NSC781956","","","","","","","","","","","","","","","","","","","","NSC781956","","COC1=C(C=C2C(=C1)C(=NC=N2)N3C4=C(C=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)C=N3)OC","KMJUERPIXSHMII-UHFFFAOYSA-N","155812270",NA,"PDBC49885","781956","Present"
-"NSC781960","","","","","","","","","","","","","","","","","","","","NSC781960","","C1=CC=C2C(=C1)C(=CC3=CN(C4=CC=CC=C43)CC(CN5C=C(C6=CC=CC=C65)C=C7C8=CC=CC=C8NC7=O)O)C(=O)N2","BNNUSMGZUFNNHO-VYTBREFCSA-N","127033390",NA,"PDBC49886","781960","Present"
-"NSC782123","","","","","","","","","","","","","","","","","","","","NSC782123","","C1=CC(=CC=C1NC2=NC3=NON=C3N=C2NC4=CC=C(C=C4)I)F","QRTCBAURJCNMAD-UHFFFAOYSA-N","1105659",NA,"PDBC49887","782123","Present"
-"NSC782128","","","","","","","","","","","","","","","","","","","","NSC782128","","COC1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)NN=C4","XALNIGJUFJYYNI-UHFFFAOYSA-N","127051274",NA,"PDBC49888","782128","Present"
-"NSC782133","","","","","","","","","","","","","","","","","","","","NSC782133","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)O","QCNUNYMTCGCHDR-XMGMMNJSSA-N","117990614",NA,"PDBC49889","782133","Present"
-"NSC782134","","","","","","","","","","","","","","","","","","","","NSC782134","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCCO)O","MJMACXMBNNEKPP-ISIBKBNISA-N","117990539",NA,"PDBC49890","782134","Present"
-"NSC782135","","","","","","","","","","","","","","","","","","","","NSC782135","","CCC=CCC1CC=C2C(CC=CCCCC(=O)O1)C=CC2=O","GHFBWRGTHVTGIQ-OLBAJUCDSA-N","117990622",NA,"PDBC49891","782135","Present"
-"NSC782137","","","","","","","","","","","","","","","","","","","","NSC782137","","COC(=O)CCCC=CCC1C=CC(=O)C1=CCC(CC=CCC(F)(F)F)O","LIIOLTDIZNIBAS-ILQPDHFCSA-N","117990541",NA,"PDBC49892","782137","Present"
-"NSC782138","","","","","","","","","","","","","","","","","","","","NSC782138","","CCC=CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)O)O","AAUOKIRJZADQLD-HRGSCTCBSA-N","117990570",NA,"PDBC49893","782138","Present"
-"NSC782139","","","","","","","","","","","","","","","","","","","","NSC782139","","CCC=CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)O","TYJPKPMZCMKESK-UNFZTIMDSA-N","117990588",NA,"PDBC49894","782139","Present"
-"NSC782142","","","","","","","","","","","","","","","","","","","","NSC782142","","COC1=CC=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)NN=C4","UVBAFGUYHDPGPO-UHFFFAOYSA-N","127051005",NA,"PDBC49895","782142","Present"
-"NSC782183","","","","","","","","","","","","","","","","","","","","NSC782183","","C1COCCN1CC2=CC(=C3C=CC=NC3=C2O)COCC4=CC=CC=C4","ZPJRWICTQQZYDM-UHFFFAOYSA-N","3242810",NA,"PDBC49896","782183","Present"
-"NSC782184","","","","","","","","","","","","","","","","","","","","NSC782184","","C1CCN(C1)CC2=CC(=C3C=CC=NC3=C2O)CSCC4=CC=CC=C4","MBXVWQNIQCXTIO-UHFFFAOYSA-N","155809151",NA,"PDBC49897","782184","Present"
-"NSC782185","","","","","","","","","","","","","","","","","","","","NSC782185","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CNC5=CC=CC=C54","YDVFUZPJDBGPJZ-ICPKPPSNSA-N","155815332",NA,"PDBC49898","782185","Present"
-"NSC782186","","","","","","","","","","","","","","","","","","","","NSC782186","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CNC5=C4C=C(C=C5)OC","CXYFATPFHKDZOY-KKLWQCETSA-N","155805903",NA,"PDBC49899","782186","Present"
-"NSC782187","","","","","","","","","","","","","","","","","","","","NSC782187","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6","WUJUFWRWSYYQGF-BPECKKQISA-N","155808618",NA,"PDBC49900","782187","Present"
-"NSC782188","","","","","","","","","","","","","","","","","","","","NSC782188","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Cl","GKBBVKXWBMQSQT-XRXLMMCCSA-N","155808773",NA,"PDBC49901","782188","Present"
-"NSC782189","","","","","","","","","","","","","","","","","","","","NSC782189","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CN(C5=C4C=C(C=C5)Cl)C","KXVDXRHYVTZOCH-KKLWQCETSA-N","155816824",NA,"PDBC49902","782189","Present"
-"NSC782190","","","","","","","","","","","","","","","","","","","","NSC782190","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CN(C5=C4C=C(C=C5)OC)C","QNVLGWKZBOALFD-RNWZCEFLSA-N","155806962",NA,"PDBC49903","782190","Present"
-"NSC782191","","","","","","","","","","","","","","","","","","","","NSC782191","","CN1CCN(CC1)CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=C(C=C4)F)F","ZWOKPDXIDIAZGX-UHFFFAOYSA-N","155807551",NA,"PDBC49904","782191","Present"
-"NSC782192","","","","","","","","","","","","","","","","","","","","NSC782192","","C1COCCN1CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=C(C=C4)Cl)F","SYOLPCCAPFKPPH-UHFFFAOYSA-N","155807646",NA,"PDBC49905","782192","Present"
-"NSC782193","","","","","","","","","","","","","","","","","","","","NSC782193","","C1COCCN1CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=C(C=C4)Cl)C(F)(F)F","KYUWJTZJFRHORX-UHFFFAOYSA-N","155811728",NA,"PDBC49906","782193","Present"
-"NSC782195","","","","","","","","","","","","","","","","","","","","NSC782195","","CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","OEUFEFKBLXBIRS-UHFFFAOYSA-N","127047922",NA,"PDBC49907","782195","Present"
-"NSC782198","","","","","","","","","","","","","","","","","","","","NSC782198","","CC(C)C1=CC=C(C=C1)NC2=NC3=C(C=C2)C(=CC=C3)OCCCN4CCN(CC4)C","MBSFQLCGUWCBHV-UHFFFAOYSA-N","155812538",NA,"PDBC49908","782198","Present"
-"NSC782199","","","","","","","","","","","","","","","","","","","","NSC782199","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)COC3=CC=CC=C3)C=CC4=CC(=C(C=C4)O)OC)O","XBCNYRJMHMHHOB-JMVBYTIWSA-N","155813430",NA,"PDBC49909","782199","Present"
-"NSC782200","","","","","","","","","","","","","","","","","","","","NSC782200","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)COC3=C(C=C(C=C3)Cl)Cl)C=CC4=CC(=C(C=C4)O)OC)O","PJOWGNVATVGOEL-ZATFKQDHSA-N","155807271",NA,"PDBC49910","782200","Present"
-"NSC782201","","","","","","","","","","","","","","","","","","","","NSC782201","","COC1=CC=C(C=C1)NC(=O)N2C(=CC(=N2)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC","DOIKHGVMARNJMR-JLYKOKMVSA-N","155808996",NA,"PDBC49911","782201","Present"
-"NSC782239","","","","","","","","","","","","","","","","","","","","NSC782239","","CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=CC(=C3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","LWIOLJCQIAEPNK-UHFFFAOYSA-N","155810255",NA,"PDBC49912","782239","Present"
-"NSC782285","","","","","","","","","","","","","","","","","","","","NSC782285","","CCC=CCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)OC","AKWDIFKYJSCQOS-NOGXYDRUSA-N","117990590",NA,"PDBC49913","782285","Present"
-"NSC782286","","","","","","","","","","","","","","","","","","","","NSC782286","","CCC=CCCCC=C1C(C=CC1=O)CC=CCCCC(=O)O","JWCVRKUMYRODPU-INLNERNISA-N","117990563",NA,"PDBC49914","782286","Present"
-"NSC782287","","","","","","","","","","","","","","","","","","","","NSC782287","","CCC=CCCCC=C1C(C=CC1=O)CC=CCCCC(=O)OC","BCDHSBZJUPJSAA-HWYPZBQUSA-N","117990565",NA,"PDBC49915","782287","Present"
-"NSC782289","","","","","","","","","","","","","","","","","","","","NSC782289","","CCC=C1C(C=CC1=O)CC=CCCCC(=O)OC","PJJASMDXDAIJDC-URPQCRRZSA-N","117990567",NA,"PDBC49916","782289","Present"
-"NSC782290","","","","","","","","","","","","","","","","","","","","NSC782290","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)N(C)C)O","OJMMPZFHPZQURD-JTDHWRLRSA-N","117990574",NA,"PDBC49917","782290","Present"
-"NSC782291","","","","","","","","","","","","","","","","","","","","NSC782291","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OCCS(=O)(=O)C2=CC=CC=C2)O","NQVIRFLPYIPXDI-SYKBTUBPSA-N","117990564",NA,"PDBC49918","782291","Present"
-"NSC782311","","","","","","","","","","","","","","","","","","","","NSC782311","","C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C4=CN=CC=C4","AJVWXNDUKGCJJZ-HOFJZWJUSA-N","155816677",NA,"PDBC49919","782311","Present"
-"NSC782330","","","","","","","","","","","","","","","","","","","","NSC782330","","CC(C1=CC=CC=C1)NC(=O)C2CSSCC(C(=O)NCC(=O)N2C)NC(=O)C3=NC4=CC=CC=C4C=C3O","SWGDSLCFECIUGM-DQLDELGASA-N","122195890",NA,"PDBC49920","782330","Present"
-"NSC782342","","","","","","","","","","","","","","","","","","","","NSC782342","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=CC=CC=C5S4","HSWNNUPUZBWTIY-SSZMZQGMSA-N","155813367",NA,"PDBC49921","782342","Present"
-"NSC782343","","","","","","","","","","","","","","","","","","","","NSC782343","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=C(N4)C=CC(=C5)F","VUUJRJMEOPBGEU-QGEJRNGNSA-N","155815216",NA,"PDBC49922","782343","Present"
-"NSC782360","","","","","","","","","","","","","","","","","","","","NSC782360","","C1C(OC(OC12C=CC(=O)O2)C3=CC(=CC=C3)C(F)(F)F)C4=CC(=CC=C4)C(F)(F)F","IGYFAKODNZBODR-UHOSZYNNSA-N","102347581",NA,"PDBC49923","782360","Present"
-"NSC782361","","","","","","","","","","","","","","","","","","","","NSC782361","","CC1=NC2=C(CCC2)C(=N1)N(C)C3=CC4=C(C=C3)C(=CC=C4)OC","DZBBSCITDWHHOR-UHFFFAOYSA-N","91972007",NA,"PDBC49924","782361","Present"
-"NSC782371","","","","","","","","","","","","","","","","","","","","NSC782371","","CCOC(=O)C1=C2C=CC=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4","OQYRVZDWHQOCGR-UHFFFAOYSA-N","14900032",NA,"PDBC49925","782371","Present"
-"NSC782372","","","","","","","","","","","","","","","","","","","","NSC782372","","CCOC(=O)C1=C2C(=CC=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4)F","DPWMKZXYJUTMAM-UHFFFAOYSA-N","44567519",NA,"PDBC49926","782372","Present"
-"NSC782378","","","","","","","","","","","","","","","","","","","","NSC782378","","CCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4)NC(=O)OC(C)(C)C","LGVDMCVXHGKAMQ-UHFFFAOYSA-N","155806091",NA,"PDBC49927","782378","Present"
-"NSC782394","","","","","","","","","","","","","","","","","","","","NSC782394","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O","NKGFIFLSQXHQOK-MDZWDICZSA-N","155810469",NA,"PDBC49928","782394","Present"
-"NSC782482","","","","","","","","","","","","","","","","","","","","NSC782482","","CC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)C)C)CC(C3=CCOC3=O)SC4=CC=CC=C4)C","VXBFPGMMVNWWCC-PLUWSZGGSA-N","127035548",NA,"PDBC49929","782482","Present"
-"NSC782483","","","","","","","","","","","","","","","","","","","","NSC782483","","CC1=C2C(CC1)C3(C(CC(C2OC(=O)C=CC4=CC=CC=C4)(O3)C(C)C)OC(=O)C(C)O)C","HINISUGDICBSBT-VXYUVXGPSA-N","155815657",NA,"PDBC49930","782483","Present"
-"NSC782486","","","","","","","","","","","","","","","","","","","","NSC782486","","CC1=C2C(CC1)C3(C(CC(C2OC(=O)CCCC4=CC=CC=C4)(O3)C(C)C)OC(=O)CO)C","CYUBUDDXFBYBRL-RDQZFCRKSA-N","122635045",NA,"PDBC49931","782486","Present"
-"NSC782487","","","","","","","","","","","","","","","","","","","","NSC782487","","CC1=C2C(CC1)C3(C(CC(C2OC(=O)C4CC4C5=CC=CC=C5)(O3)C(C)C)OC(=O)CO)C","YSMTVGBHOQJRTF-YBVGUANTSA-N","122635048",NA,"PDBC49932","782487","Present"
-"NSC782488","","","","","","","","","","","","","","","","","","","","NSC782488","","CC1=C2C(CC1)C3(C(CC(C2OC(=O)C=CC4=CC=CC=C4)(O3)C5CCCCC5)OC(=O)CO)C","SXVCCXUGYMSPTP-YDIXTDQRSA-N","122635049",NA,"PDBC49933","782488","Present"
-"NSC782489","","","","","","","","","","","","","","","","","","","","NSC782489","","CC1=C2C(CC1)C3(C(CC(C2OC(=O)C=CC4=CC=CC=C4)(O3)C5CC5)OC(=O)CO)C","FBOGGNRYXBDUBT-CTNOBAPDSA-N","122635060",NA,"PDBC49934","782489","Present"
-"NSC782490","","","","","","","","","","","","","","","","","","","","NSC782490","","CC1=C2C(CC1)C3(C(CC(C2OC(=O)C=CC4=CC=CC=C4)(O3)C5=CC=CC=C5)OC(=O)CO)C","HMIZTNJYJQQHJM-YDIXTDQRSA-N","122635057",NA,"PDBC49935","782490","Present"
-"NSC782512","","","","","","","","","","","","","","","","","","","","NSC782512","","C1=CC2=C(C(=C1)Br)SC3=C2OC(=C(C3C4=CC=C(C=C4)F)C#N)N","RYZZBAINZXDRBB-UHFFFAOYSA-N","155805665",NA,"PDBC49936","782512","Present"
-"NSC782513","","","","","","","","","","","","","","","","","","","","NSC782513","","COC1=CC=C(C=C1)C2C(=C(OC3=C2SC4=C3C=CC=C4Br)N)C#N","WOYCAMRHAMFHAU-UHFFFAOYSA-N","155814183",NA,"PDBC49937","782513","Present"
-"NSC782514","","","","","","","","","","","","","","","","","","","","NSC782514","","C1=CC2=C(C(=C1)Br)SC3=C2OC(=C(C3C4=CC=C(C=C4)Cl)C#N)N","BDVVITYPUUGYJO-UHFFFAOYSA-N","155813563",NA,"PDBC49938","782514","Present"
-"NSC782522","","","","","","","","","","","","","","","","","","","","NSC782522","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)CNC3=CC=C(C=C3)Cl)C=CC4=CC(=C(C=C4)O)OC)O","PIXQBAZMIZVLSO-FBBLOSFGSA-N","155807263",NA,"PDBC49939","782522","Present"
-"NSC782573","","","","","","","","","","","","","","","","","","","","NSC782573","","C1COCCN1CCCNC2=NC(=CC(=N2)NC(=O)C3=CC(=CC(=C3)Br)C(F)(F)F)C4=CN=CC=C4","SWGHSHOUMNMZNI-UHFFFAOYSA-N","127031783",NA,"PDBC49940","782573","Present"
-"NSC782636","","","","","","","","","","","","","","","","","","","","NSC782636","","CC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)CC4=CC=CC=C4","CBDCNHPEKJZUHT-UHFFFAOYSA-N","131704417",NA,"PDBC49941","782636","Present"
-"NSC782638","","","","","","","","","","","","","","","","","","","","NSC782638","","C1OC2=C(O1)C=C(C(=C2)CN3C=NC4=C(N=C(N=C43)N)NC5=CC=CC=C5)Br","MPXWFZINXMCPSU-UHFFFAOYSA-N","142743831",NA,"PDBC49942","782638","Present"
-"NSC782647","","","","","","","","","","","","","","","","","","","","NSC782647","","CC(C)C(C(=O)OC)NC(=O)NC(=O)NC(=O)CI","NCZHSMBZIGWJLT-ZETCQYMHSA-N","155814864",NA,"PDBC49943","782647","Present"
-"NSC782648","","","","","","","","","","","","","","","","","","","","NSC782648","","CCC(C)C(C(=O)OC)NC(=O)NC(=O)NC(=O)CI","CHRLDHIKXGSALP-XDKWHASVSA-N","155805738",NA,"PDBC49944","782648","Present"
-"NSC782649","","","","","","","","","","","","","","","","","","","","NSC782649","","CC(C)CC(C(=O)OC)NC(=O)NC(=O)NC(=O)CI","NLWFDGAWMDKTPW-ZETCQYMHSA-N","155806266",NA,"PDBC49945","782649","Present"
-"NSC782650","","","","","","","","","","","","","","","","","","","","NSC782650","","CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)NC(=O)NC5=CC=CC=C5)CNC(=O)NC(=O)NC(=O)CI)C","BBKXJADFIUEQAK-SYFIOPGFSA-N","155810094",NA,"PDBC49946","782650","Present"
-"NSC782653","","","","","","","","","","","","","","","","","","","","NSC782653","","C1CN(CCC1CO)C2=C(C=CC(=C2)C3=CN=CC=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","MEWKXRSNPXSCRV-UHFFFAOYSA-N","155810716",NA,"PDBC49947","782653","Present"
-"NSC782674","","","","","","","","","","","","","","","","","","","","NSC782674","","CC1=C2C(CC1)C3(C(CC(C2OC(=O)C=CC4=CC=CC=C4)(O3)C(C)C)OC(=O)C)C","BZFPESHMGZBHSR-PEMJOCNMSA-N","122635059",NA,"PDBC49948","782674","Present"
-"NSC782709","","","","","","","","","","","","","","","","","","","","NSC782709","","CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N","DNFFBSMQAJSTQQ-UHFFFAOYSA-N","127025502",NA,"PDBC49949","782709","Present"
-"NSC782751","","","","","","","","","","","","","","","","","","","","NSC782751","","CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)N3CCCCC3)NCCCNC4=C5C=CC(=CC5=NC=C4)Cl","LFRLJCQPZQAFJY-UHFFFAOYSA-N","155810348",NA,"PDBC49950","782751","Present"
-"NSC782784","","","","","","","","","","","","","","","","","","","","NSC782784","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)O)F","GJJFEQVQERKJIG-OLBAJUCDSA-N","117990582",NA,"PDBC49951","782784","Present"
-"NSC782785","","","","","","","","","","","","","","","","","","","","NSC782785","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)F","HCZBILKLGBKORT-XMGMMNJSSA-N","117990562",NA,"PDBC49952","782785","Present"
-"NSC782786","","","","","","","","","","","","","","","","","","","","NSC782786","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)NC)O","RAKHPDYXCVLIPO-XMGMMNJSSA-N","130467348",NA,"PDBC49953","782786","Present"
-"NSC782787","","","","","","","","","","","","","","","","","","","","NSC782787","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)NC(C)C)O","JQWNQBYBCGTOEK-NGIWCQTKSA-N","155811726",NA,"PDBC49954","782787","Present"
-"NSC782788","","","","","","","","","","","","","","","","","","","","NSC782788","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC(C)C)O","COPXKMZORFWXCC-NGIWCQTKSA-N","130467735",NA,"PDBC49955","782788","Present"
-"NSC782789","","","","","","","","","","","","","","","","","","","","NSC782789","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)N)O","HAWILLDBMQDCST-OLBAJUCDSA-N","130467346",NA,"PDBC49956","782789","Present"
-"NSC782880","","","","","","","","","","","","","","","","","","","","NSC782880","","CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N","GAIOPWBQKZMUNO-UHFFFAOYSA-N","71561915",NA,"PDBC49957","782880","Present"
-"NSC782881","","","","","","","","","","","","","","","","","","","","NSC782881","","COC1=CC(=C(C(=C1)OC)C=CS(=O)(=O)CC2=CC(=C(N=C2)OC)N)OC","SJUIAQGLXFJIBB-AATRIKPKSA-N","56598517",NA,"PDBC49958","782881","Present"
-"NSC782882","","","","","","","","","","","","","","","","","","","","NSC782882","","COC1=C(N=C(C=C1)CS(=O)(=O)C=CC2=C(C=C(C=C2OC)OC)OC)N","SUVXJIREQOOYGN-BQYQJAHWSA-N","86276168",NA,"PDBC49959","782882","Present"
-"NSC782892","","","","","","","","","","","","","","","","","","","","NSC782892","","C1CCN(CC1)CCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","OATANYSNZPXVHP-UHFFFAOYSA-N","122188472",NA,"PDBC49960","782892","Present"
-"NSC782893","","","","","","","","","","","","","","","","","","","","NSC782893","","C1COCCN1CCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","WLAKLXCQDUPBRG-UHFFFAOYSA-N","122188473",NA,"PDBC49961","782893","Present"
-"NSC782942","","","","","","","","","","","","","","","","","","","","NSC782942","","CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4CCCCC4","UWSZIGZUTJKFFQ-UHFFFAOYSA-N","137640400",NA,"PDBC49962","782942","Present"
-"NSC782947","","","","","","","","","","","","","","","","","","","","NSC782947","","CCOC(=O)C#CC1=C(N=NN1C2C3C(C(O2)CO)OC4(O3)CCCCC4)C(=O)OCC","QKLPIYSTKALPSK-UTRMSSBJSA-N","155813647",NA,"PDBC49963","782947","Present"
-"NSC782948","","","","","","","","","","","","","","","","","","","","NSC782948","","CCOC(=O)C#CC1=C(N=NN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC","UBPBSVGTOAKDQC-UHFFFAOYSA-N","155805771",NA,"PDBC49964","782948","Present"
-"NSC782949","","","","","","","","","","","","","","","","","","","","NSC782949","","CCOC(=O)C#CC1=C(N=NN1CC2=CC=C(C=C2)C(F)(F)F)C(=O)OCC","SZEAKSPQLQQSAN-UHFFFAOYSA-N","155812125",NA,"PDBC49965","782949","Present"
-"NSC782950","","","","","","","","","","","","","","","","","","","","NSC782950","","CCOC(=O)CC1=C(N(N=N1)C2C3C(C(O2)CO)OC(O3)(C)C)C#CC(=O)OCC","JNJGXKNTCJWVJE-MGHWNKPDSA-N","155811770",NA,"PDBC49966","782950","Present"
-"NSC782951","","","","","","","","","","","","","","","","","","","","NSC782951","","CCOC(=O)C#CC1=C(N=NN1C2C(C(C(O2)COC)OC)OC)C(=O)OCC","AHLYKYXVEAFPKI-BASLNEPJSA-N","137643606",NA,"PDBC49967","782951","Present"
-"NSC782976","","","","","","","","","","","","","","","","","","","","NSC782976","","C1=CC=C(C(=C1)CN2C3=CC=CC=C3C4(C2=O)NN=C(S4)C5=CC(=CC=C5)Cl)Cl","NZXCHMBHJIGSAZ-UHFFFAOYSA-N","71284106",NA,"PDBC49968","782976","Present"
-"NSC783039","","","","","","","","","","","","","","","","","","","","NSC783039","","C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(=O)NC5=NC(=CS5)C6=CC=C(C=C6)Cl)F)C(=O)O","SQPOQTJSFGQVPG-UHFFFAOYSA-N","155815195",NA,"PDBC49969","783039","Present"
-"NSC783040","","","","","","","","","","","","","","","","","","","","NSC783040","","COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","ADEDEQNGEXGRTA-UHFFFAOYSA-N","155806958",NA,"PDBC49970","783040","Present"
-"NSC783041","","","","","","","","","","","","","","","","","","","","NSC783041","","CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=O)N(CC)C4=NC(=CS4)C5=CC=CC=C5)F)C(=O)O","WMCWJEWQJMPKCE-UHFFFAOYSA-N","155815126",NA,"PDBC49971","783041","Present"
-"NSC783076","","","","","","","","","","","","","","","","","","","","NSC783076","","CNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C2N=CC(=C4)OC","PWLYAHAXYULARD-UHFFFAOYSA-N","137640123",NA,"PDBC49972","783076","Present"
-"NSC783086","","","","","","","","","","","","","","","","","","","","NSC783086","","CC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)C)C)CC(C3=CCOC3=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NN=C(C=C5)Cl)C","OTWRTEIFIOHZTL-MOLSIHIDSA-N","155815427",NA,"PDBC49973","783086","Present"
-"NSC783093","","","","","","","","","","","","","","","","","","","","NSC783093","","CC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN3CCCC3)C4=CC=CC=C4","DFHBLNUDXVTIIS-SZXQPVLSSA-N","127030254",NA,"PDBC49974","783093","Present"
-"NSC783094","","","","","","","","","","","","","","","","","","","","NSC783094","","CCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=CC=C2)C3=CC=C(C=C3)OCCN4CCCC4","APRXGOORLSVCDR-ONQIKCEGSA-N","127033896",NA,"PDBC49975","783094","Present"
-"NSC783099","","","","","","","","","","","","","","","","","","","","NSC783099","","CC[N+]1=CC2=C(C=C1)C3=NC4=CC=CC=C4C5=C3C(=NC=C5)C2=O","QZCOBLBAPMCVJF-UHFFFAOYSA-N","155816732",NA,"PDBC49976","783099","Present"
-"NSC783100","","","","","","","","","","","","","","","","","","","","NSC783100","","C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C4=NC5=CC=CC=C5C6=C4C(=NC=C6)C3=O","GZLXMMICBCUFDB-UHFFFAOYSA-N","155808922",NA,"PDBC49977","783100","Present"
-"NSC783178","","","","","","","","","","","","","","","","","","","","NSC783178","","C1C(NC2=CC3=C(C=C2C1=O)OCO3)C4=CC5=C(C=C4)OCO5","IOWVMOVOGIWLFY-UHFFFAOYSA-N","71754003",NA,"PDBC49978","783178","Present"
-"NSC783206","","","","","","","","","","","","","","","","","","","","NSC783206","","CC1=CN2C(=C(N=C2S1)C(F)(F)F)C=C3C4=C(C5=CC=CC=C5C=C4)NC3=O","GQEIEDZEILBJFV-RIYZIHGNSA-N","155813795",NA,"PDBC49979","783206","Present"
-"NSC783209","","","","","","","","","","","","","","","","","","","","NSC783209","","CNC(=O)C1=NC=CC(=C1)OC2=CC=CC3=C2C=CC(=N3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","KMUPNAZWSMSFEK-UHFFFAOYSA-N","142739446",NA,"PDBC49980","783209","Present"
-"NSC783241","","","","","","","","","","","","","","","","","","","","NSC783241","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C4=CC5=CC=CC=C5N4","SZLXOKSHVKHXLG-SSZMZQGMSA-N","118245696",NA,"PDBC49981","783241","Present"
-"NSC783303","","","","","","","","","","","","","","","","","","","","NSC783303","","CN1C(=O)C2=CC=CC=C2N3C1=NN=C3C4=CC(=C(C=C4)OC)O","NCBIGGVEVRXKOH-UHFFFAOYSA-N","127031821",NA,"PDBC49982","783303","Present"
-"NSC783304","","","","","","","","","","","","","","","","","","","","NSC783304","","CN1C(=O)C2=CC=CC=C2N3C1=NN=C3C4=CC(=C(C=C4)OC)N","HRJFKYULANSZOV-UHFFFAOYSA-N","127027230",NA,"PDBC49983","783304","Present"
-"NSC783353","","","","","","","","","","","","","","","","","","","","NSC783353","","CC1CCC2(CCC3(C(=CCC4C3(CCC5=C(C(=O)C(=CC45C)O)C)C)C2C1C)C)C(=O)OC","WFGCKQVBWOQCII-ZNXBDCFSSA-N","155806914",NA,"PDBC49984","783353","Present"
-"NSC783356","","","","","","","","","","","","","","","","","","","","NSC783356","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(C(=CC5(C)COC(=O)C6=CC=CO6)C=O)C)O)C)C2C1C)C)C(=O)OC","SYBAYJHNDOMKBR-STSVOOJSSA-N","155812063",NA,"PDBC49985","783356","Present"
-"NSC783358","","","","","","","","","","","","","","","","","","","","NSC783358","","CC1CCC2(CCC3(C(=CCC4C3(CC=C5C4(C(=CC5(C)CO)C6=NOC=N6)C)C)C2C1C)C)C(=O)OC","AHMOJBPGSMVIHQ-KYDZHLCTSA-N","155808702",NA,"PDBC49986","783358","Present"
-"NSC783407","","","","","","","","","","","","","","","","","","","","NSC783407","","CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CC=C2)CN(CC(=O)NC(C(=O)O1)C(C)C)CC3=CC=C(C=C3)Cl","LSSMOJPKOYHEAP-WQUZSJQVSA-N","92135973",NA,"PDBC49987","783407","Present"
-"NSC783408","","","","","","","","","","","","","","","","","","","","NSC783408","","CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CC=C2)CN(CC(=O)NC(C(=O)O1)C(C)C)CC3=CC4=CC=CC=C4C=C3","PXFOLQIPJPDJJD-NEVXFRCDSA-N","155813726",NA,"PDBC49988","783408","Present"
-"NSC783523","","","","","","","","","","","","","","","","","","","","NSC783523","","C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC5=CC=CC=C54)N","PSKKXCZXXQDQBG-UHFFFAOYSA-N","24028415",NA,"PDBC49989","783523","Present"
-"NSC783617","","","","","","","","","","","","","","","","","","","","NSC783617","","CN1C(CSSCC(C(=O)NCC1=O)NC(=O)C2=NC3=CC=CC=C3C=C2O)C(=O)NCCC4=NC5=CC=CC=C5C=C4O","WLVKZPTWXBPHGG-PKTZIBPZSA-N","155812548",NA,"PDBC49990","783617","Present"
-"NSC783624","","","","","","","","","","","","","","","","","","","","NSC783624","","COC1=C(C=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl)OC","OVOAKFWJQBMJPQ-UHFFFAOYSA-N","110655940",NA,"PDBC49991","783624","Present"
-"NSC783628","","","","","","","","","","","","","","","","","","","","NSC783628","","C1=CC2=C(C(=C1)Br)SC3=C2OC(=C(C3C4=CC=C(C=C4)[N+](=O)[O-])C#N)N","CTZVILBIWMAEAO-UHFFFAOYSA-N","155805482",NA,"PDBC49992","783628","Present"
-"NSC783630","","","","","","","","","","","","","","","","","","","","NSC783630","","C1=CC2=C(C(=C1)Br)SC3=C2OC(=C(C3C4=CC=C(C=C4)Br)C#N)N","YBWIKLNQXWPOIA-UHFFFAOYSA-N","155813711",NA,"PDBC49993","783630","Present"
-"NSC783634","","","","","","","","","","","","","","","","","","","","NSC783634","","CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)O","QCNUNYMTCGCHDR-JWFJKBGYSA-N","155815414",NA,"PDBC49994","783634","Present"
-"NSC783635","","","","","","","","","","","","","","","","","","","","NSC783635","","CCC=CCC1CC=C2C(CC=CCCCC(=O)O1)C=CC2=O","GHFBWRGTHVTGIQ-AJNOBVHBSA-N","130467644",NA,"PDBC49995","783635","Present"
-"NSC783636","","","","","","","","","","","","","","","","","","","","NSC783636","","C1=CC(=CC(=C1)C(F)(F)F)CCC(CC=C2C(C=CC2=O)CC=CCCCC(=O)O)O","MAVNWELDVMMXGG-ZTWQSWPVSA-N","130467653",NA,"PDBC49996","783636","Present"
-"NSC783637","","","","","","","","","","","","","","","","","","","","NSC783637","","COC(=O)CCCC=CCC1C=CC(=O)C1=CCC(CCC2=CC(=CC=C2)C(F)(F)F)O","CVLQHUXDFHDRED-ZYOQQEODSA-N","130467659",NA,"PDBC49997","783637","Present"
-"NSC783638","","","","","","","","","","","","","","","","","","","","NSC783638","","C1CC=CCC2C=CC(=O)C2=CCC(OC(=O)C1)CCC3=CC(=CC=C3)C(F)(F)F","ZRZKJQNCBAKHNE-ZTWQSWPVSA-N","130467336",NA,"PDBC49998","783638","Present"
-"NSC783640","","","","","","","","","","","","","","","","","","","","NSC783640","","CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=C2CCCl)O)OC","XMPVSJJNICFOPA-UHFFFAOYSA-N","85470596",NA,"PDBC49999","783640","Present"
-"NSC783641","","","","","","","","","","","","","","","","","","","","NSC783641","","CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=C2CCCl)OC(=O)C)OC","VRTPJMAJOZKENJ-UHFFFAOYSA-N","155806990",NA,"PDBC50000","783641","Present"
-"NSC783696","","","","","","","","","","","","","","","","","","","","NSC783696","","COC1=C(C=C(C=C1)C=C2C=C(N(C2=O)CCC3=CC=CC=C3)C4=CC=CC=C4)OC","PRPQIPURQSRYNZ-HAVVHWLPSA-N","155811814",NA,"PDBC50001","783696","Present"
-"NSC783699","","","","","","","","","","","","","","","","","","","","NSC783699","","CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4CCCO4)Cl","MMJSYUQCKWEFRW-KRWDZBQOSA-N","117859438",NA,"PDBC50002","783699","Present"
-"NSC783700","","","","","","","","","","","","","","","","","","","","NSC783700","","CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)NS(=O)(=O)C(C)(C)C)NC3=CC=C(C=C3)N4CCN(CC4)C","OKUXIUAKYDKHDY-UHFFFAOYSA-N","124081169",NA,"PDBC50003","783700","Present"
-"NSC783716","","","","","","","","","","","","","","","","","","","","NSC783716","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C(=O)C(=O)NCCCC(=O)OC)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C(=O)C(=O)NCCCC(=O)OC)O)O)C(C)C)O)O","KONXICNCFUBWTR-UHFFFAOYSA-N","155809013",NA,"PDBC50004","783716","Present"
-"NSC783718","","","","","","","","","","","","","","","","","","","","NSC783718","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C(=O)C(=O)NCC(=O)OC)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C(=O)C(=O)NCC(=O)OC)O)O)C(C)C)O)O","MXAUITCASANNMM-UHFFFAOYSA-N","155805573",NA,"PDBC50005","783718","Present"
-"NSC783771","","","","","","","","","","","","","","","","","","","","NSC783771","","CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4CCCC4","NRIZOBCKUZLADQ-UHFFFAOYSA-N","137661784",NA,"PDBC50006","783771","Present"
-"NSC783772","","","","","","","","","","","","","","","","","","","","NSC783772","","CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)C#N","CLFCJSDPCNMWDB-UHFFFAOYSA-N","137655591",NA,"PDBC50007","783772","Present"
-"NSC783773","","","","","","","","","","","","","","","","","","","","NSC783773","","CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC(=CC=C4)C(F)(F)F","YEXQMIJZWWVQTI-UHFFFAOYSA-N","137659358",NA,"PDBC50008","783773","Present"
-"NSC783774","","","","","","","","","","","","","","","","","","","","NSC783774","","CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)C(=O)OC","LPGYJXQORMUCEF-UHFFFAOYSA-N","137638237",NA,"PDBC50009","783774","Present"
-"NSC783777","","","","","","","","","","","","","","","","","","","","NSC783777","","CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)Cl","LNMFYNLCUQKGOQ-UHFFFAOYSA-N","137641091",NA,"PDBC50010","783777","Present"
-"NSC783778","","","","","","","","","","","","","","","","","","","","NSC783778","","CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)F","BRQCCXNBJRDTAJ-UHFFFAOYSA-N","137658723",NA,"PDBC50011","783778","Present"
-"NSC783780","","","","","","","","","","","","","","","","","","","","NSC783780","","CCNCCNC1=CC(=C(C2=NC3=CC(=C(C=C3N12)Cl)Cl)C#N)C4=CC=C(C=C4)C(F)(F)F","HKPBHLMDSRZZLF-UHFFFAOYSA-N","132606865",NA,"PDBC50012","783780","Present"
-"NSC783799","","","","","","","","","","","","","","","","","","","","NSC783799","","CN1CCN(CC1)CCCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","JICWBGYOXWDBPV-UHFFFAOYSA-N","155812150",NA,"PDBC50013","783799","Present"
-"NSC783800","","","","","","","","","","","","","","","","","","","","NSC783800","","C1COCCN1CCCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","CMEJZBGTPMODEK-UHFFFAOYSA-N","122188475",NA,"PDBC50014","783800","Present"
-"NSC783801","","","","","","","","","","","","","","","","","","","","NSC783801","","C1CCN(CC1)CCCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","DVZCMBJSRRXMRW-UHFFFAOYSA-N","122188474",NA,"PDBC50015","783801","Present"
-"NSC783803","","","","","","","","","","","","","","","","","","","","NSC783803","","C1CCN(CC1)CCCNC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","VUJDUJLCJILSBH-UHFFFAOYSA-N","122188467",NA,"PDBC50016","783803","Present"
-"NSC783804","","","","","","","","","","","","","","","","","","","","NSC783804","","CN1CCN(CC1)CCCNC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","BMBPEQKHTRZKEW-UHFFFAOYSA-N","122188469",NA,"PDBC50017","783804","Present"
-"NSC783805","","","","","","","","","","","","","","","","","","","","NSC783805","","C1=CC=NC(=C1)CCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","XHSLXZCUAQQCEJ-UHFFFAOYSA-N","122188471",NA,"PDBC50018","783805","Present"
-"NSC783806","","","","","","","","","","","","","","","","","","","","NSC783806","","C1=CC2=C(C3=C(N2C=C1)C(=O)C4=C(C3=O)C=CC=N4)C(=O)NCCN5C=CN=C5","DAJRVIANYVMFCI-UHFFFAOYSA-N","122188463",NA,"PDBC50019","783806","Present"
-"NSC783807","","","","","","","","","","","","","","","","","","","","NSC783807","","CCN(CC)CCCNC(=O)C1=C2C=CC=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4","OQZKRMWOMVBGNO-UHFFFAOYSA-N","122188465",NA,"PDBC50020","783807","Present"
-"NSC783833","","","","","","","","","","","","","","","","","","","","NSC783833","","COC1=CC2=C(C=C1)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C(CC2)O","ZMFSGTZTXVKBCT-GONKEYIRSA-N","118732755",NA,"PDBC50021","783833","Present"
-"NSC783835","","","","","","","","","","","","","","","","","","","","NSC783835","","COC1=C(C=C(C=C1)C=C2C(CCC3=C(C(=C(C=C32)OC)OC)OC)O)F","ZMNZXQNJLFXABB-FVLHSZHDSA-N","118732759",NA,"PDBC50022","783835","Present"
-"NSC783837","","","","","","","","","","","","","","","","","","","","NSC783837","","","","",NA,"PDBC50023","783837","Present"
-"NSC783839","","","","","","","","","","","","","","","","","","","","NSC783839","","","","",NA,"PDBC50024","783839","Present"
-"NSC783893","","","","","","","","","","","","","","","","","","","","NSC783893","","CC(C1CCCCC1)N(CC(=O)N(CCC2=CC=C(C=C2)Cl)CC(=O)N(CC(=O)N(CCC3=CC(=C(C=C3)OC)OC)CC(=O)N(CC(=O)N)C4CCCC4OCC5=CC=CC=C5)C(C)C6CCCCC6)C(=O)CN(C)CC7=CC=CC=C7F","NUGPKPHWKJRQQV-IQNUZUQNSA-N","155810752",NA,"PDBC50025","783893","Present"
-"NSC783894","","","","","","","","","","","","","","","","","","","","NSC783894","","COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N","JHCXFOPIQONMOE-UHFFFAOYSA-N","1225122",NA,"PDBC50026","783894","Present"
-"NSC783903","","","","","","","","","","","","","","","","","","","","NSC783903","","CC(=C(C1=CC=C(C=C1)OCCN2CCCCC2)C3=CC=C(C=C3)OC(=O)C)C4=CC=C(C=C4)Cl","BDNQLXPFMHTMBW-JBASAIQMSA-N","155805420",NA,"PDBC50027","783903","Present"
-"NSC783904","","","","","","","","","","","","","","","","","","","","NSC783904","","COC1=C(C=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC(=CN=C4)NS(=O)(=O)C)Cl","GGUMHBMBKGAAMD-UHFFFAOYSA-N","121416181",NA,"PDBC50028","783904","Present"
-"NSC783905","","","","","","","","","","","","","","","","","","","","NSC783905","","CS(=O)(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl","BHXWNHYWUZHNMW-UHFFFAOYSA-N","121416191",NA,"PDBC50029","783905","Present"
-"NSC783906","","","","","","","","","","","","","","","","","","","","NSC783906","","CS(=O)(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C","MBQMBAVGQJUSIA-UHFFFAOYSA-N","121416198",NA,"PDBC50030","783906","Present"
-"NSC783908","","","","","","","","","","","","","","","","","","","","NSC783908","","C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C=C(C=C3)C4=CN=C(N=C4)N","AXWLOWQUORKMHS-UHFFFAOYSA-N","121427547",NA,"PDBC50031","783908","Present"
-"NSC783914","","","","","","","","","","","","","","","","","","","","NSC783914","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4","IZHXIGLMSGTKPT-FPISHOKTSA-N","118245701",NA,"PDBC50032","783914","Present"
-"NSC783921","","","","","","","","","","","","","","","","","","","","NSC783921","","COC1=CC=CC(=C1)NCC2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Cl","FHZORDFIYMGQMX-UHFFFAOYSA-N","155808837",NA,"PDBC50033","783921","Present"
-"NSC783923","","","","","","","","","","","","","","","","","","","","NSC783923","","C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)OC3=NN=C(C4=CC=CC=C43)Cl","SUSKYXAQVDNOHA-UHFFFAOYSA-N","155816682",NA,"PDBC50034","783923","Present"
-"NSC783925","","","","","","","","","","","","","","","","","","","","NSC783925","","C1=CC=C2C(=C1)C(=NN=C2Cl)OC3=CC=CC(=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","ZPCDGMGJFZRIKK-UHFFFAOYSA-N","155810717",NA,"PDBC50035","783925","Present"
-"NSC784014","","","","","","","","","","","","","","","","","","","","NSC784014","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","LPOCXXICQMIVLE-ITPPLTJNSA-N","122521777",NA,"PDBC50036","784014","Present"
-"NSC784015","","","","","","","","","","","","","","","","","","","","NSC784015","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C34CC(C3)(C4)NC","PAEIXLVRBOMRRI-IDJYHRBWSA-N","122521779",NA,"PDBC50037","784015","Present"
-"NSC784016","","","","","","","","","","","","","","","","","","","","NSC784016","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC23C4C5C2C6C3C4C56C(=O)OC)OC(=O)C)C(C)C)NC(=O)C7CCCCN7C","HSJHYWHTQQRDKI-LLCNSABDSA-N","122521603",NA,"PDBC50038","784016","Present"
-"NSC784017","","","","","","","","","","","","","","","","","","","","NSC784017","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC23CC(C2)(C3)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C4CCCCN4C","IRGDWFMYGQSWSP-PGYVEPDASA-N","122521724",NA,"PDBC50039","784017","Present"
-"NSC784020","","","","","","","","","","","","","","","","","","","","NSC784020","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCCN4C","SROPLVGCYGSDSO-OPHYPICJSA-N","122521723",NA,"PDBC50040","784020","Present"
-"NSC784021","","","","","","","","","","","","","","","","","","","","NSC784021","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)CN(C)C","DTCUXXFPLSTAHY-IQIPMHNZSA-N","122521726",NA,"PDBC50041","784021","Present"
-"NSC784022","","","","","","","","","","","","","","","","","","","","NSC784022","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C45C6C7C4C8C5C6C78NC","ABSMMVAAYXAORZ-VLOFUIBTSA-N","122521836",NA,"PDBC50042","784022","Present"
-"NSC784145","","","","","","","","","","","","","","","","","","","","NSC784145","","CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)N3CCCCC3)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","OUINGXKQDLOWOC-UHFFFAOYSA-N","155809093",NA,"PDBC50043","784145","Present"
-"NSC784146","","","","","","","","","","","","","","","","","","","","NSC784146","","CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)N3CCCC3)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","NIAMIHQASASGSJ-UHFFFAOYSA-N","155807424",NA,"PDBC50044","784146","Present"
-"NSC784147","","","","","","","","","","","","","","","","","","","","NSC784147","","C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","HBUDAWBXHOAJQX-UHFFFAOYSA-N","155811673",NA,"PDBC50045","784147","Present"
-"NSC784174","","","","","","","","","","","","","","","","","","","","NSC784174","","C1=CC=C(C=C1)CCN2C(=CC(=CC3=CC=C(C=C3)Br)C2=O)C4=CC=CC=C4","HCBKZEHNSKLIKF-OQKWZONESA-N","155816408",NA,"PDBC50046","784174","Present"
-"NSC784215","","","","","","","","","","","","","","","","","","","","NSC784215","","CC12CCC=C(CCC3C(C(=O)OC3C1O2)CN(C)C)COC(=O)C4=CC5=CC=CC=C5N4","DXISKWDWUPTSEB-PLHMHXTRSA-N","155816560",NA,"PDBC50047","784215","Present"
-"NSC784222","","","","","","","","","","","","","","","","","","","","NSC784222","","C1CC(CCC1O)OC2=CC=CC3=CN=C(N=C32)NC4=CC5=C(C=C4)N=CN5","FYWRWBSYRGSWIQ-UHFFFAOYSA-N","91801204",NA,"PDBC50048","784222","Present"
-"NSC784230","","","","","","","","","","","","","","","","","","","","NSC784230","","CC1=NC2=C(CCC2)C(=N1)N3CCCC4=CC=CC=C43","HVOMWIHGTVBZEM-UHFFFAOYSA-N","155809227",NA,"PDBC50049","784230","Present"
-"NSC784233","","","","","","","","","","","","","","","","","","","","NSC784233","","COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCNC(=O)NC4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5","UZSDQVIZMYDEEC-UHFFFAOYSA-N","155810531",NA,"PDBC50050","784233","Present"
-"NSC784239","","","","","","","","","","","","","","","","","","","","NSC784239","","COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCCNC(=O)NC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5","NLBSIZDYPZEHPY-UHFFFAOYSA-N","155805454",NA,"PDBC50051","784239","Present"
-"NSC784243","","","","","","","","","","","","","","","","","","","","NSC784243","","COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCNC(=O)NC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5","WVDKFCADSDXQEK-UHFFFAOYSA-N","155807917",NA,"PDBC50052","784243","Present"
-"NSC784244","","","","","","","","","","","","","","","","","","","","NSC784244","","COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCCNC(=O)C4=CC(=CC=C4)C(F)(F)F)C5=CC=CC=C5","GPRPJYNBCGKLJX-UHFFFAOYSA-N","155805959",NA,"PDBC50053","784244","Present"
-"NSC784250","","","","","","","","","","","","","","","","","","","","NSC784250","","C1=CC=C(C=C1)C(=O)NCCCNC2=NC=CC(=C2)C3=CN(N=C3C4=CC(=CC=C4)O)C5=CC=CC=C5","UIEKTDJXYGAMEM-UHFFFAOYSA-N","155809239",NA,"PDBC50054","784250","Present"
-"NSC784251","","","","","","","","","","","","","","","","","","","","NSC784251","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNC(=O)C5=CC=C(C=C5)F","GJKYUPNRUDJESS-UHFFFAOYSA-N","155805768",NA,"PDBC50055","784251","Present"
-"NSC784255","","","","","","","","","","","","","","","","","","","","NSC784255","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(C(=CC5(C)CO)C=O)C)O)C)C2C1C)C)C(=O)OC","GXKJSNWLHWWHMV-KXROOCPLSA-N","155810512",NA,"PDBC50056","784255","Present"
-"NSC784256","","","","","","","","","","","","","","","","","","","","NSC784256","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(C(=CC5(C)COS(=O)(=O)C)C=O)C)O)C)C2C1C)C)C(=O)OC","SAPFIWJPENBMPH-LXWRKWFHSA-N","155811011",NA,"PDBC50057","784256","Present"
-"NSC784257","","","","","","","","","","","","","","","","","","","","NSC784257","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(C(=CC5(C)COC(=O)C=CC6=CC=CC=C6)C=O)C)O)C)C2C1C)C)C(=O)OC","UCUCFXIMDXIQQR-GREGKPRASA-N","155814184",NA,"PDBC50058","784257","Present"
-"NSC784258","","","","","","","","","","","","","","","","","","","","NSC784258","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(C(=CC5(C)COC(=O)C)C=O)C)O)C)C2C1C)C)C(=O)OC","BCNULLQVXRSQHR-BBHNXVIKSA-N","155813448",NA,"PDBC50059","784258","Present"
-"NSC784260","","","","","","","","","","","","","","","","","","","","NSC784260","","CC1CCC2(CCC3(C(=CCC4C3(CC(=O)C5C4(C(=CC5(C)COC(=O)C6=CC=CO6)C=O)C)C)C2C1C)C)C(=O)OC","ACQFJJAVGKEXMX-FDIHOXKPSA-N","155807862",NA,"PDBC50060","784260","Present"
-"NSC784263","","","","","","","","","","","","","","","","","","","","NSC784263","","CC1CCC2(CCC3(C(=CCC4C3(CC=C5C4(C(=CC5(C)COC(=O)C6=CC=CO6)C=O)C)C)C2C1C)C)C(=O)OC","HGDCTBLTMIYQOO-TWQPZTKYSA-N","155809106",NA,"PDBC50061","784263","Present"
-"NSC784264","","","","","","","","","","","","","","","","","","","","NSC784264","","CC1CCC2(CCC3(C(=CCC4C3(CC=C5C4(C(=CC5(C)COC(=O)C)C=O)C)C)C2C1C)C)C(=O)OC","ZOVDJWXACZAUSS-FPROFKTLSA-N","155805630",NA,"PDBC50062","784264","Present"
-"NSC784288","","","","","","","","","","","","","","","","","","","","NSC784288","","CC(=O)N1C(=NC2=C(C1=O)C(C3=C(O2)C4=C(S3)C(=CC=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","WOKJYCSOXKXAIU-UHFFFAOYSA-N","155810257",NA,"PDBC50063","784288","Present"
-"NSC784289","","","","","","","","","","","","","","","","","","","","NSC784289","","CC(=O)N1C(=NC2=C(C1=O)C(C3=C(O2)C4=C(S3)C(=CC=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC","SQMZYGAERPETAS-UHFFFAOYSA-N","155805461",NA,"PDBC50064","784289","Present"
-"NSC784310","","","","","","","","","","","","","","","","","","","","NSC784310","","CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C(C4=CC=CC=C43)C5=CC=CC=C5)CN(C2)S(=O)(=O)C6=CC=C(C=C6)C","LQEBEWORDYCBNG-UHFFFAOYSA-N","132509232",NA,"PDBC50065","784310","Present"
-"NSC784318","","","","","","","","","","","","","","","","","","","","NSC784318","","CC(C)C1C(=O)OC(CC(=O)NCC2=NC(=CS2)C3=NC(CS3)(C(=O)N1)C)C=CCCS","VEDPEVJAYWVUSJ-BNVDZZMOSA-N","24938735",NA,"PDBC50066","784318","Present"
-"NSC784319","","","","","","","","","","","","","","","","","","","","NSC784319","","CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CS2)C3=NC(CS3)(C(=O)NC(C(=O)N1)C(C)C)C","FZBLZWMNFPJGGN-SZPBEECKSA-N","42612744",NA,"PDBC50067","784319","Present"
-"NSC784320","","","","","","","","","","","","","","","","","","","","NSC784320","","CC(C)C1C(=O)OC(CC(=O)NCC2=NC=CC(=C2)C3=NC(CS3)(C(=O)N1)C)C=CCCS","YSQNJKVHVWRCPW-FXHDEUNJSA-N","122181882",NA,"PDBC50068","784320","Present"
-"NSC784400","","","","","","","","","","","","","","","","","","","","NSC784400","","CCCC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OCCN(CC)CC","DDFKIEYIJRDTKT-UQRQXUALSA-N","155808930",NA,"PDBC50069","784400","Present"
-"NSC784403","","","","","","","","","","","","","","","","","","","","NSC784403","","C1=CC2=C(C=C1C3=CN=C(N=C3)N)C(=NC=N2)NC4=CC(=C(C=C4)F)Cl","IGFXMEIGZKZOLV-UHFFFAOYSA-N","121427581",NA,"PDBC50070","784403","Present"
-"NSC784404","","","","","","","","","","","","","","","","","","","","NSC784404","","C1=CC2=C(C=C1C3=CN=C4C(=C3)C=CN4)C(=NC=N2)NC5=CC(=C(C=C5)F)Cl","NPMXMNCKTNCNPK-UHFFFAOYSA-N","121427631",NA,"PDBC50071","784404","Present"
-"NSC784405","","","","","","","","","","","","","","","","","","","","NSC784405","","CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl","PXCDJDIXWZPVQX-UHFFFAOYSA-N","132232429",NA,"PDBC50072","784405","Present"
-"NSC784409","","","","","","","","","","","","","","","","","","","","NSC784409","","CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CN=C4)Cl","JFOXNGQNRHWVAK-UHFFFAOYSA-N","121416176",NA,"PDBC50073","784409","Present"
-"NSC784447","","","","","","","","","","","","","","","","","","","","NSC784447","","CN(C)CCNC1=NC2=CC=CC=C2C3=C1SC4=CC=CC=C4C3=O","AUSYHGMPLVPTPZ-UHFFFAOYSA-N","155813380",NA,"PDBC50074","784447","Present"
-"NSC784449","","","","","","","","","","","","","","","","","","","","NSC784449","","C1=CC=C2C(=C1)C3=C(C(=N2)NCCCNCCO)SC4=CC=CC=C4C3=O","USCOMUJGWUGLLB-UHFFFAOYSA-N","155816590",NA,"PDBC50075","784449","Present"
-"NSC784527","","","","","","","","","","","","","","","","","","","","NSC784527","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3=CC=CC=N3","VOGLNHSDJVKLTJ-KXCRJABJSA-N","122521608",NA,"PDBC50076","784527","Present"
-"NSC784528","","","","","","","","","","","","","","","","","","","","NSC784528","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)NC(C)C3=CC=CC=C3","HIUUKWQDRLLADL-CGISDMCMSA-N","122521605",NA,"PDBC50077","784528","Present"
-"NSC784529","","","","","","","","","","","","","","","","","","","","NSC784529","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)NC3=CC=CC=C3","PHWCRZNIYHZORX-UYAJARDASA-N","122521602",NA,"PDBC50078","784529","Present"
-"NSC784530","","","","","","","","","","","","","","","","","","","","NSC784530","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)NC(C)(C)C","OQXJPJWMGIDRBI-CLCYSURZSA-N","122521614",NA,"PDBC50079","784530","Present"
-"NSC784531","","","","","","","","","","","","","","","","","","","","NSC784531","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C34CC(C3)(C4)NC(=O)C","JJGIOQHWRCFAIN-WJTUSEQQSA-N","122521609",NA,"PDBC50080","784531","Present"
-"NSC784532","","","","","","","","","","","","","","","","","","","","NSC784532","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C34C5C6C3C7C4C5C67NC(=O)C","ALRZUPMQNPLKAE-BMYLJOQESA-N","122521610",NA,"PDBC50081","784532","Present"
-"NSC784533","","","","","","","","","","","","","","","","","","","","NSC784533","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C34C5C6C3C7C4C5C67NC","JOKHHIKXYOPPTA-MMOKHSCFSA-N","122521600",NA,"PDBC50082","784533","Present"
-"NSC784601","","","","","","","","","","","","","","","","","","","","NSC784601","","COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=CC=N3)C4=C2C5=C(C=CC=N5)C(=O)N4","WMVSZKJHXSEMPJ-UHFFFAOYSA-N","155813439",NA,"PDBC50083","784601","Present"
-"NSC784602","","","","","","","","","","","","","","","","","","","","NSC784602","","COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=CC=N3)C4=C2C5=C(C=CC=N5)C(=N4)N","GJXWBOPRQMRZPG-UHFFFAOYSA-N","155811996",NA,"PDBC50084","784602","Present"
-"NSC784694","","","","","","","","","","","","","","","","","","","","NSC784694","","CCOC(=O)C1=C2C=CC=NN2C(=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","GXZOOSRJAKPXAU-UHFFFAOYSA-N","155808727",NA,"PDBC50085","784694","Present"
-"NSC784698","","","","","","","","","","","","","","","","","","","","NSC784698","","CCOC(=O)C1=C2C=CC=NN2C(=C1)C(=O)C3=CC(=CC(=C3)OC)OC","OCNALBFMIHYASO-UHFFFAOYSA-N","155814955",NA,"PDBC50086","784698","Present"
-"NSC784700","","","","","","","","","","","","","","","","","","","","NSC784700","","CC1=C2C(=CC=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","FABLAHMQSQFDHR-UHFFFAOYSA-N","3860640",NA,"PDBC50087","784700","Present"
-"NSC784812","","","","","","","","","","","","","","","","","","","","NSC784812","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC23C4C5C2C6C3C4C56C(=O)OC)OC(=O)C)C(C)C)NC(=O)CN(C)C","QHUMZPALYCQKJC-CGASUPMMSA-N","122521780",NA,"PDBC50088","784812","Present"
-"NSC784814","","","","","","","","","","","","","","","","","","","","NSC784814","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC23CC(C2)(C3)C(=O)OC)OC(=O)C)C(C)C)NC(=O)CN(C)C","MMBISEZEXJXBAW-SSLXDNKESA-N","122521721",NA,"PDBC50089","784814","Present"
-"NSC784818","","","","","","","","","","","","","","","","","","","","NSC784818","","CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)Cl","VXDOHCKTCSQQRQ-UHFFFAOYSA-N","121416169",NA,"PDBC50090","784818","Present"
-"NSC784928","","","","","","","","","","","","","","","","","","","","NSC784928","","COC1=CC(=CC(=C1OC)OC)C2=NC=CC3=C2N=C(N3)C4=C5C=CNC5=CC=C4","GZJHBGSBVSNHCJ-UHFFFAOYSA-N","122195227",NA,"PDBC50091","784928","Present"
-"NSC784929","","","","","","","","","","","","","","","","","","","","NSC784929","","COC1=CC(=CC(=C1OC)OC)C2=NC=CC3=C2N=C(N3)C4=CC5=C(C=C4)C=CN5","SQSZRGOISCZCTQ-UHFFFAOYSA-N","122195228",NA,"PDBC50092","784929","Present"
-"NSC784961","","","","","","","","","","","","","","","","","","","","NSC784961","","CCOC(=O)C1=C(N=C2C(=C1N)CC(=O)N2CC3=CC=C(C=C3)OC)C","OUMSNCMPBFKFJP-UHFFFAOYSA-N","155815161",NA,"PDBC50093","784961","Present"
-"NSC785026","","","","","","","","","","","","","","","","","","","","NSC785026","","C#CC(=O)NC1=CC=CC(=C1)NC2=NC3=C(CCCC3)C(=N2)NCC4=CC=CC=C4","RGBMUBAQFAVBSQ-UHFFFAOYSA-N","155805472",NA,"PDBC50094","785026","Present"
-"NSC785220","","","","","","","","","","","","","","","","","","","","NSC785220","","CC1=C(SC=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC(=O)C4=CC=CC=C4","YNQCLJVWTGPRRD-UHFFFAOYSA-N","122383780",NA,"PDBC50095","785220","Present"
-"NSC785294","","","","","","","","","","","","","","","","","","","","NSC785294","","CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC=CC(=C2)C3=NC(CS3)(C(=O)NC(C(=O)O1)C(C)C)C","GENMLQRMGWMMBT-FXLQIIFISA-N","122181881",NA,"PDBC50096","785294","Present"
-"NSC785295","","","","","","","","","","","","","","","","","","","","NSC785295","","CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CC=C2)C3=NC(CS3)(C(=O)NC(C(=O)O1)C(C)C)C","MYIDUKTYJBIPIN-RKLUHIBISA-N","122181880",NA,"PDBC50097","785295","Present"
-"NSC785296","","","","","","","","","","","","","","","","","","","","NSC785296","","CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CC=C2)C3=NC(CS3)(C(=O)NC(C(=O)N1)C(C)C)C","LQKNDWFOFDZZAH-MOFPVRERSA-N","122181883",NA,"PDBC50098","785296","Present"
-"NSC785297","","","","","","","","","","","","","","","","","","","","NSC785297","","CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CO2)C3=NC(CS3)(C(=O)NC(C(=O)O1)C(C)C)C","OOTLBIRBZZTHQA-SZPBEECKSA-N","72375670",NA,"PDBC50099","785297","Present"
-"NSC785364","","","","","","","","","","","","","","","","","","","","NSC785364","","C1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CS4)N","VLMPYPADLAKYNQ-UHFFFAOYSA-N","15312306",NA,"PDBC50100","785364","Present"
-"NSC785367","","","","","","","","","","","","","","","","","","","","NSC785367","","COC1=C(C=C(C=C1)C2=C(NN=C2)C3=CC(=C(C(=C3)OC)OC)OC)N","FZSKMZZJIONNJA-UHFFFAOYSA-N","44337542",NA,"PDBC50101","785367","Present"
-"NSC785386","","","","","","","","","","","","","","","","","","","","NSC785386","","COC1=CC=C(C=C1)C2=NOC=C2C3=CC(=C(C(=C3)OC)OC)OC","LFUNITCJJRHWGR-UHFFFAOYSA-N","91973763",NA,"PDBC50102","785386","Present"
-"NSC785389","","","","","","","","","","","","","","","","","","","","NSC785389","","CC1(C2CC3=C(C=CC(=C3)C(=O)NC4=CC5=C(C=C4)C6(CCN(CC6)CCCCC#N)C(=O)N5)OC2(CC(C1O)F)C)C","XOIMXGXGGAWIAO-ABACMYBCSA-N","155812230",NA,"PDBC50103","785389","Present"
-"NSC785395","","","","","","","","","","","","","","","","","","","","NSC785395","","CC1CCC2(CCC3(C(=CCC4C3(CC=C5C4(C(=CC5(C)COS(=O)(=O)C)C=O)C)C)C2C1C)C)C(=O)OC","VEIDTAJLPNVATH-WWYUTXSFSA-N","155807394",NA,"PDBC50104","785395","Present"
-"NSC785396","","","","","","","","","","","","","","","","","","","","NSC785396","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)OC(=O)C=CC6=CC=CC=C6)C)O)C)C2C1C)C)C(=O)OC","QYIGUWAZQFTBMO-FCKNVIBOSA-N","155815326",NA,"PDBC50105","785396","Present"
-"NSC785400","","","","","","","","","","","","","","","","","","","","NSC785400","","CCCNCC1=C2C(=CC(=C1)C)N(C(=N2)N3CCNCC3)CC4=CC(=C(C(=C4)C)F)C","BXCRJSVWJMTAEM-UHFFFAOYSA-N","155805655",NA,"PDBC50106","785400","Present"
-"NSC785403","","","","","","","","","","","","","","","","","","","","NSC785403","","C1CN(CCC1NC(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)C4=CNC5=CC=CC=C54","DFIOTESQXGBXBW-NRFANRHFSA-N","155813642",NA,"PDBC50107","785403","Present"
-"NSC785438","","","","","","","","","","","","","","","","","","","","NSC785438","","CC(CC(CCO)C1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2","TZNGEDNMUCFVKX-JTSKRJEESA-N","155815330",NA,"PDBC50108","785438","Present"
-"NSC785441","","","","","","","","","","","","","","","","","","","","NSC785441","","CN(C)CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C3=CC4=CC=CC=C4C5=CC=CC=C53","OYNUVNXFQQDBMD-UHFFFAOYSA-N","3011964",NA,"PDBC50109","785441","Present"
-"NSC785448","","","","","","","","","","","","","","","","","","","","NSC785448","","CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=NN(C(=C3C)C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl","HRRJOMLPDKDEKL-UHFFFAOYSA-N","155805883",NA,"PDBC50110","785448","Present"
-"NSC785453","","","","","","","","","","","","","","","","","","","","NSC785453","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CNC3=CC=CC=C32","QJHGHTUUBIGVAG-CMDGGOBGSA-N","9927763",NA,"PDBC50111","785453","Present"
-"NSC785454","","","","","","","","","","","","","","","","","","","","NSC785454","","CC(=CC1=CC(=CC=C1)N=[N+]=[N-])C(=O)C2=CC(=C(C(=C2)OC)OCC#C)OC","QKFRBKNFHJFEDC-GXDHUFHOSA-N","155809431",NA,"PDBC50112","785454","Present"
-"NSC785455","","","","","","","","","","","","","","","","","","","","NSC785455","","CC(=CC1=CNC2=CC=CC=C21)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","MPPKERSKNOSLQM-UKTHLTGXSA-N","21850172",NA,"PDBC50113","785455","Present"
-"NSC785502","","","","","","","","","","","","","","","","","","","","NSC785502","","CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CCCC=CCCCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C)(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)N)CCC(=O)N)CC(C)C","CKUVXHAMRZESPD-ZTDOKYTMSA-N","155815471",NA,"PDBC50114","785502","Present"
-"NSC785503","","","","","","","","","","","","","","","","","","","","NSC785503","","CC(C)CC1C(=O)NC(C(=O)NC(CCCC=CCCCC(C(=O)NC(C(=O)N1)CC(C)C)(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C)(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)N)CCC(=O)N","PPWVUSQJRPFRHM-DAENTFNZSA-N","155806058",NA,"PDBC50115","785503","Present"
-"NSC785541","","","","","","","","","","","","","","","","","","","","NSC785541","","COC1=C(C=C(C=C1)C=CC(=O)C(=O)C=CC2=CC(=C(C=C2)OC)OC)OC","OPKMLNNPNCDNGP-NXZHAISVSA-N","155816457",NA,"PDBC50116","785541","Present"
-"NSC785543","","","","","","","","","","","","","","","","","","","","NSC785543","","COC1=C(C=C(C=C1)C=CC2=NN=C(O2)C=CC3=CC(=C(C=C3)OC)OC)OC","KRDNWMZXLPEMEN-MKICQXMISA-N","155813655",NA,"PDBC50117","785543","Present"
-"NSC785589","","","","","","","","","","","","","","","","","","","","NSC785589","","C1C(C1N)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","TYTLARZOLKJSJU-UHFFFAOYSA-N","118362864",NA,"PDBC50118","785589","Present"
-"NSC785590","","","","","","","","","","","","","","","","","","","","NSC785590","","C1C(C1N)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N","QOTNCTHIBHOJBC-UHFFFAOYSA-N","155808936",NA,"PDBC50119","785590","Present"
-"NSC785615","","","","","","","","","","","","","","","","","","","","NSC785615","","C1=CC(=CC=C1C2=CC(=NC(=C2C#N)N)C3=C(C=CC(=C3)O)O)Cl","FZHOAAJNKXNPJL-UHFFFAOYSA-N","155813235",NA,"PDBC50120","785615","Present"
-"NSC785965","","","","","","","","","","","","","","","","","","","","NSC785965","","CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=C(C=C3)F)Cl)F)OCCOC(F)F","NALRSGNHETVHKC-ONEGZZNKSA-N","130205677",NA,"PDBC50121","785965","Present"
-"NSC785967","","","","","","","","","","","","","","","","","","","","NSC785967","","C1CCN(CC1)CC=CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=C(C=C4)F)Cl)F)OCCOC(F)F","NKGAXPSQXNLIET-SNAWJCMRSA-N","130205802",NA,"PDBC50122","785967","Present"
-"NSC786054","","","","","","","","","","","","","","","","","","","","NSC786054","","CCC=CCC(CC=C1C(C=C(C1=O)Cl)CC=CCCCC(=O)OC)O","BSTVUHBNWPTCHK-BZKNOHLFSA-N","130467642",NA,"PDBC50123","786054","Present"
-"NSC786055","","","","","","","","","","","","","","","","","","","","NSC786055","","CCC=CCC1CC=C2C(CC=CCCCC(=O)O1)C=C(C2=O)Cl","QPJSTJCZNXRKLA-FFEKFOGKSA-N","130467363",NA,"PDBC50124","786055","Present"
-"NSC786056","","","","","","","","","","","","","","","","","","","","NSC786056","","C1CC=CCC2C=CC(=O)C2=CCC(OC(=O)C1)CC=CCC(F)(F)F","AUKWSZDLKDIYOC-UIRHWMMOSA-N","130467334",NA,"PDBC50125","786056","Present"
-"NSC786057","","","","","","","","","","","","","","","","","","","","NSC786057","","CCC#CCC1CC=C2C(CC=CCCCC(=O)O1)C=CC2=O","SBMBYEIWOAWFPD-GJGHEGAFSA-N","130467603",NA,"PDBC50126","786057","Present"
-"NSC786058","","","","","","","","","","","","","","","","","","","","NSC786058","","CCC=CCC=CCC1CC=C2C(CC=CCCC(=O)O1)C=CC2=O","IBNQWLQHKGCPPD-JNQZYWRGSA-N","155814830",NA,"PDBC50127","786058","Present"
-"NSC786062","","","","","","","","","","","","","","","","","","","","NSC786062","","CCCCCCCCCCCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)O","ICRACVKVKFKWEA-RNBDXKMKSA-N","155807434",NA,"PDBC50128","786062","Present"
-"NSC786064","","","","","","","","","","","","","","","","","","","","NSC786064","","CCC=CCC=CCC(CC=C1C(C=CC1=O)CC=CCCC(=O)OC)O","VAEBIJWZHXCAIK-DVNYHINMSA-N","155809003",NA,"PDBC50129","786064","Present"
-"NSC786106","","","","","","","","","","","","","","","","","","","","NSC786106","","COC1=C(C(=C(C=C1)C(=NO)C2=CC(=C(C(=C2)OC)OC)OC)OC)N","FAYLOSYKJBTIHH-SILNSSARSA-N","155812056",NA,"PDBC50130","786106","Present"
-"NSC786108","","","","","","","","","","","","","","","","","","","","NSC786108","","CCOC(=O)C1=C2C(=CC(=CN2C(=C1)C(=NO)C3=CC(=C(C(=C3)OC)OC)OC)C)C","VDDSEGLBILZEGA-GFMRDNFCSA-N","155805726",NA,"PDBC50131","786108","Present"
-"NSC786110","","","","","","","","","","","","","","","","","","","","NSC786110","","COC1=C(C=C(C=C1)C(=NO)C2=CC(=C(C(=C2F)OC)F)F)O","QFXCPMIZMCNNHC-RGEXLXHISA-N","155811976",NA,"PDBC50132","786110","Present"
-"NSC786111","","","","","","","","","","","","","","","","","","","","NSC786111","","COC1=C(C(=C(C=C1)C(=NO)C2=CC(=C(C(=C2)OC)OC)OC)OC)N","FAYLOSYKJBTIHH-CAPFRKAQSA-N","155810458",NA,"PDBC50133","786111","Present"
-"NSC786113","","","","","","","","","","","","","","","","","","","","NSC786113","","CC1=CC2=C(C=C(N2C=C1)C(=O)C)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5S4","MKMCRTPUQIWOSO-UHFFFAOYSA-N","155816570",NA,"PDBC50134","786113","Present"
-"NSC786148","","","","","","","","","","","","","","","","","","","","NSC786148","","CCN1C(=O)NC2C1(CC3C2NC(=O)C4=CC=C(N34)Cl)O","NOHKQCXDGOUSDA-PZWLIILKSA-N","73672535",NA,"PDBC50135","786148","Present"
-"NSC78674","","","","","","","","","","","","","","","","","","","","NSC78674","","C1=CC=C(C=C1)C=CCN2C=NC(=N)C3=C2N=CN3.Cl","RXYRMPALBSMBNH-GZHPDFFISA-N","135534362",NA,"PDBC50136","78674","Present"
-"NSC786942","","","","","","","","","","","","","","","","","","","","NSC786942","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCCCCCC(=O)OC)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCCCCC(=O)OC)O)O)C(C)C)O)O","KMMRTGSXFORUFY-UHFFFAOYSA-N","137300716",NA,"PDBC50137","786942","Present"
-"NSC786945","","","","","","","","","","","","","","","","","","","","NSC786945","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCCCCC(=O)OC)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCCCC(=O)OC)O)O)C(C)C)O)O","GZSJFIAESZNUFR-UHFFFAOYSA-N","137289939",NA,"PDBC50138","786945","Present"
-"NSC787092","","","","","","","","","","","","","","","","","","","","NSC787092","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=CC6=CC=CC=C65","ZKNYJAGKARWECT-UHFFFAOYSA-N","155816496",NA,"PDBC50139","787092","Present"
-"NSC787104","","","","","","","","","","","","","","","","","","","","NSC787104","","CS(=O)(=O)N(C1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)Cl)S(=O)(=O)C","CXACXYMDUUHHNU-UHFFFAOYSA-N","121416165",NA,"PDBC50140","787104","Present"
-"NSC787105","","","","","","","","","","","","","","","","","","","","NSC787105","","COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)NS(=O)(=O)C","VLEBQGOKWCZWBO-UHFFFAOYSA-N","121416194",NA,"PDBC50141","787105","Present"
-"NSC787107","","","","","","","","","","","","","","","","","","","","NSC787107","","COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)NS(=O)(=O)C5CC5","IGJYJJQERGFEIJ-UHFFFAOYSA-N","121416389",NA,"PDBC50142","787107","Present"
-"NSC787108","","","","","","","","","","","","","","","","","","","","NSC787108","","COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)NS(=O)(=O)CCN5CCOCC5","VBZFQSNOHIFSPS-UHFFFAOYSA-N","121416190",NA,"PDBC50143","787108","Present"
-"NSC787110","","","","","","","","","","","","","","","","","","","","NSC787110","","C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F","FEHAXKMXQVOOBZ-UHFFFAOYSA-N","155809261",NA,"PDBC50144","787110","Present"
-"NSC787213","","","","","","","","","","","","","","","","","","","","NSC787213","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)OC(=O)C)C)O)C)C2C1C)C)C(=O)OC","WHGNLHWLDWSICD-JPKHLJCFSA-N","155810403",NA,"PDBC50145","787213","Present"
-"NSC787214","","","","","","","","","","","","","","","","","","","","NSC787214","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)OC(=O)C6=CC=CO6)C)O)C)C2C1C)C)C(=O)OC","YTXRATPQGAQLKG-HCQLCDECSA-N","155815399",NA,"PDBC50146","787214","Present"
-"NSC787215","","","","","","","","","","","","","","","","","","","","NSC787215","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)COC(=O)C)O)OC(=O)C)C)O)C)C2C1C)C)C(=O)OC","TXCYTPTWOGYWPG-HNKYICNUSA-N","155810572",NA,"PDBC50147","787215","Present"
-"NSC787216","","","","","","","","","","","","","","","","","","","","NSC787216","","CC1CCC2(CCC3(C(=CCC4C3(CC=C5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC","GHFYDEUDBHDQFZ-LHLIDYPQSA-N","155813409",NA,"PDBC50148","787216","Present"
-"NSC787217","","","","","","","","","","","","","","","","","","","","NSC787217","","CC1CCC2(CCC3(C(=CCC4C3(CC5=C6C4(CC(=O)C(C6(CO5)C)OC(=O)C7=CC=CO7)C)C)C2C1C)C)C(=O)OC","BTQUIJQVKAGGNE-JTEHKOILSA-N","155817188",NA,"PDBC50149","787217","Present"
-"NSC787219","","","","","","","","","","","","","","","","","","","","NSC787219","","CC1CCC2(CCC3(C(=CCC4C3(CC5=C6C4(C=C(C(=O)C6(CO5)C)O)C)C)C2C1C)C)C(=O)OC","ZFTRKPSBQWYTSA-YGAWVFOLSA-N","155810387",NA,"PDBC50150","787219","Present"
-"NSC787220","","","","","","","","","","","","","","","","","","","","NSC787220","","CC1CCC2(CCC3(C(=CCC4C3(CC5=C(C4(C)CC#N)C(CO5)(C)C=O)C)C2C1C)C)C(=O)OC","XGUAKUQYJFHGIC-NWUYUCBFSA-N","155815087",NA,"PDBC50151","787220","Present"
-"NSC787221","","","","","","","","","","","","","","","","","","","","NSC787221","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)COC(=O)C)OC(=O)C)OC(=O)C)C)O)C)C2C1C)C)C(=O)OC","VCDXMESICKUVJY-NLZCESCASA-N","155807101",NA,"PDBC50152","787221","Present"
-"NSC787230","","","","","","","","","","","","","","","","","","","","NSC787230","","CCOC1=CC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCN(CC5)C","KONPIFGGWNMOKY-UHFFFAOYSA-N","56963908",NA,"PDBC50153","787230","Present"
-"NSC787231","","","","","","","","","","","","","","","","","","","","NSC787231","","CC(C)OC1=CC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCNCC5","KDDHBEBXEUYFNL-UHFFFAOYSA-N","53344791",NA,"PDBC50154","787231","Present"
-"NSC787232","","","","","","","","","","","","","","","","","","","","NSC787232","","CCOC1=CC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCNCC5","DLMBMHOJKBPKLK-UHFFFAOYSA-N","53346432",NA,"PDBC50155","787232","Present"
-"NSC787236","","","","","","","","","","","","","","","","","","","","NSC787236","","CC1=C(C=CC(=C1)NC2=NC=NC3=CC(=C(C=C32)NC(=O)CC4CCSS4)OC)OC5=CC(=NC=C5)C","CFDDGMFDFZFEHS-UHFFFAOYSA-N","155814804",NA,"PDBC50156","787236","Present"
-"NSC787239","","","","","","","","","","","","","","","","","","","","NSC787239","","C1CCC(C1)C(=O)NC2=C(C=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)OCC(CO)O","HSPBGHVMTVNTCH-DEOSSOPVSA-N","155811810",NA,"PDBC50157","787239","Present"
-"NSC787248","","","","","","","","","","","","","","","","","","","","NSC787248","","C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6","PWMMZOGAWPJKEC-UHFFFAOYSA-N","127044425",NA,"PDBC50158","787248","Present"
-"NSC787255","","","","","","","","","","","","","","","","","","","","NSC787255","","C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)N6CCOCC6","NWYYWKGFCWMPHV-UHFFFAOYSA-N","127044426",NA,"PDBC50159","787255","Present"
-"NSC787274","","","","","","","","","","","","","","","","","","","","NSC787274","","CC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3CCN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)Cl","MEAKTCVTXQYNNH-UHFFFAOYSA-N","155810740",NA,"PDBC50160","787274","Present"
-"NSC787275","","","","","","","","","","","","","","","","","","","","NSC787275","","CC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)N4CCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl","WXYYNIWJJBFLPL-UHFFFAOYSA-N","155811778",NA,"PDBC50161","787275","Present"
-"NSC787449","","","","","","","","","","","","","","","","","","","","NSC787449","","CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC(=C(C=C4)Cl)Cl","XCJHKWYLFQCVNU-UHFFFAOYSA-N","137636208",NA,"PDBC50162","787449","Present"
-"NSC787450","","","","","","","","","","","","","","","","","","","","NSC787450","","CCN(CC)CC1=C(C=CC(=C1)NC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C(F)(F)F)O","URBISQMLCDMUSD-UHFFFAOYSA-N","155816534",NA,"PDBC50163","787450","Present"
-"NSC787451","","","","","","","","","","","","","","","","","","","","NSC787451","","CCN(CC)CCCC(C)NC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)C(F)(F)F","MIKVKBIUWPKWIW-UHFFFAOYSA-N","137638358",NA,"PDBC50164","787451","Present"
-"NSC787471","","","","","","","","","","","","","","","","","","","","NSC787471","","CC(=O)OC1=CC=CC=C1C(=O)N=C2N(CC[Se]2)C(=O)C3=CC=CC=C3OC(=O)C","OXTPKBSPIXFIEE-UHFFFAOYSA-N","140809575",NA,"PDBC50165","787471","Present"
-"NSC787533","","","","","","","","","","","","","","","","","","","","NSC787533","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC(=CC(=C4)OC)OC","ZGYCZXNCYJQEEC-OCIWOEGMSA-N","155810394",NA,"PDBC50166","787533","Present"
-"NSC787534","","","","","","","","","","","","","","","","","","","","NSC787534","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CC(=CC=C4)OC","CSFQVWSTOKDWEL-MAUZZTGXSA-N","155815631",NA,"PDBC50167","787534","Present"
-"NSC787535","","","","","","","","","","","","","","","","","","","","NSC787535","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CC=C(C=C4)Br","POTXPVWHHORELA-NPQYOQTKSA-N","155811732",NA,"PDBC50168","787535","Present"
-"NSC787536","","","","","","","","","","","","","","","","","","","","NSC787536","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=C(C=C4)OC","KGHKGTKTGHKCJZ-YDCNECLWSA-N","155810133",NA,"PDBC50169","787536","Present"
-"NSC787537","","","","","","","","","","","","","","","","","","","","NSC787537","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=CC=C4OC","KNQIVQWDDWGRMZ-ZZDLNPCISA-N","155807293",NA,"PDBC50170","787537","Present"
-"NSC787539","","","","","","","","","","","","","","","","","","","","NSC787539","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CC=C(C=C4)OC","UAAMKYMULOJANO-JBAPYULWSA-N","155807861",NA,"PDBC50171","787539","Present"
-"NSC787549","","","","","","","","","","","","","","","","","","","","NSC787549","","CC1=C2C(=CC=C1)C=C(C(=O)N2)C=CC(=O)C=CC3=CC=C(C=C3)Cl","HZZBXQZXMYCZIM-MKICQXMISA-N","155805416",NA,"PDBC50172","787549","Present"
-"NSC787554","","","","","","","","","","","","","","","","","","","","NSC787554","","C1C2=CC=CC=C2OC3=C(N1C4=CN=CC=C4)C(=O)C5=C(C=CC(=C5C3=O)O)O","XJUMGECKQMPEPJ-UHFFFAOYSA-N","155805989",NA,"PDBC50173","787554","Present"
-"NSC787555","","","","","","","","","","","","","","","","","","","","NSC787555","","C1C2=CC=CC=C2OC3=C(N1C4=CC=CC(=C4)C(=O)N)C(=O)C5=C(C=CC(=C5C3=O)O)O","MYKLWNHUJQJTLG-UHFFFAOYSA-N","155813283",NA,"PDBC50174","787555","Present"
-"NSC787772","","","","","","","","","","","","","","","","","","","","NSC787772","","COC1=C(C2=C(C=C1)C(=C(O2)C=C3C4=C(N=CC=C4)N=N3)O)CC5CCNCC5F","DLVBJFSGRMMFDS-HFHAMQQBSA-N","155815220",NA,"PDBC50175","787772","Present"
-"NSC787774","","","","","","","","","","","","","","","","","","","","NSC787774","","COC1=C(C2=C(C=C1)C(=C(O2)C=C3C4=C(N=CC=C4)N=N3)O)CC5CCNCC5F","DLVBJFSGRMMFDS-MVKJJVDBSA-N","155809091",NA,"PDBC50176","787774","Present"
-"NSC787804","","","","","","","","","","","","","","","","","","","","NSC787804","","CC1CCC2(CCC3(C(=CCC4C3(CC5=C6C4(CC(=NO)C(C6(CO5)C)O)C)C)C2C1C)C)C(=O)OC","RSOQJAIYDWCWHR-ZOLZPAMHSA-N","155807437",NA,"PDBC50177","787804","Present"
-"NSC787805","","","","","","","","","","","","","","","","","","","","NSC787805","","CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)OC","JJBIGHMCXFFZPR-JFGCDVJDSA-N","155816756",NA,"PDBC50178","787805","Present"
-"NSC787806","","","","","","","","","","","","","","","","","","","","NSC787806","","CC1CCC2(CCC3(C(=CCC4C3(CC5=C6C4(CC(=O)C(C6(CO5)C)O)C)C)C2C1C)C)C(=O)OC","XANFAFLMJBEKQO-ISBVRJKGSA-N","155809128",NA,"PDBC50179","787806","Present"
-"NSC787807","","","","","","","","","","","","","","","","","","","","NSC787807","","CC1CCC2(CCC3(C(=CCC4C3(CC(=O)C5C4(CC(=O)C(C5(C)CO)O)C)C)C2C1C)C)C(=O)OC","BYCUCUOSDHNNRQ-OUKYHGNZSA-N","155811874",NA,"PDBC50180","787807","Present"
-"NSC787808","","","","","","","","","","","","","","","","","","","","NSC787808","","CC1=C(NC(=C1CC(=O)OCC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC","VKXOOLULFNYFNL-QRVIBDJDSA-N","155812122",NA,"PDBC50181","787808","Present"
-"NSC787811","","","","","","","","","","","","","","","","","","","","NSC787811","","CC1=C(NC(=C1CC(=O)NCC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC","SXAOUBIPQDJKSQ-QRVIBDJDSA-N","155807267",NA,"PDBC50182","787811","Present"
-"NSC787834","","","","","","","","","","","","","","","","","","","","NSC787834","","C1=CC2=CC(=CN=C2C(=C1)S)C(=O)NCCC3=NC=CS3","MYNGHZGMRXNEEH-UHFFFAOYSA-N","124081114",NA,"PDBC50183","787834","Present"
-"NSC787835","","","","","","","","","","","","","","","","","","","","NSC787835","","CCOC1=CC=C(C=C1)N2C=C([N+]3=C2CCCCC3)C4=CC=C(C=C4)N(C)C","MMBIPPKUPZGHNL-UHFFFAOYSA-N","155816731",NA,"PDBC50184","787835","Present"
-"NSC787867","","","","","","","","","","","","","","","","","","","","NSC787867","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)OCCCCCOC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","BVPUTZCUALPGIM-YQZUZBKMSA-N","121390727",NA,"PDBC50185","787867","Present"
-"NSC787956","","","","","","","","","","","","","","","","","","","","NSC787956","","CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)OCC","RLHBXNGNLUURTN-UHFFFAOYSA-N","40947291",NA,"PDBC50186","787956","Present"
-"NSC787957","","","","","","","","","","","","","","","","","","","","NSC787957","","COCCOC(=O)NC(=O)NC1=CC=C(C=C1)C(=NO)C2=CC=C(C=C2)Cl","IQPDEJBOMPMIEQ-CJLVFECKSA-N","155815407",NA,"PDBC50187","787957","Present"
-"NSC787982","","","","","","","","","","","","","","","","","","","","NSC787982","","CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC(=CC=C6)O","GZYOWXDJOGQSKU-UHFFFAOYSA-N","155807193",NA,"PDBC50188","787982","Present"
-"NSC788069","","","","","","","","","","","","","","","","","","","","NSC788069","","CC(=O)C1=C2C=CC=CN2C(=C1)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5S4","QAPYTONUTFHVJS-UHFFFAOYSA-N","155814996",NA,"PDBC50189","788069","Present"
-"NSC788104","","","","","","","","","","","","","","","","","","","","NSC788104","","CS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC2=CN=C(N=C2)OC3=CC=C(C=C3)C4=C(N=CC(=C4)Cl)N","GYPOVJZOMXEUDO-UHFFFAOYSA-N","78322573",NA,"PDBC50190","788104","Present"
-"NSC788106","","","","","","","","","","","","","","","","","","","","NSC788106","","CCC=CCC=CCC1CC=C2C(CC=CCCC(=O)O1)C=CC2=O","IBNQWLQHKGCPPD-CGRUHJGQSA-N","130467621",NA,"PDBC50191","788106","Present"
-"NSC788108","","","","","","","","","","","","","","","","","","","","NSC788108","","CCC=CCC1CC=C2C(CC=CCCCC(=O)O1)C=CC2=O","GHFBWRGTHVTGIQ-CFBGYFAYSA-N","155810731",NA,"PDBC50192","788108","Present"
-"NSC788110","","","","","","","","","","","","","","","","","","","","NSC788110","","CCC#CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)O","MGBRYJMXAFIQCV-RLNSQZNOSA-N","117990580",NA,"PDBC50193","788110","Present"
-"NSC788111","","","","","","","","","","","","","","","","","","","","NSC788111","","CCCCCC1CC=C2C(CC=CCCCC(=O)O1)C=CC2=O","VGVVHQXKYSPTSU-GJGHEGAFSA-N","130467368",NA,"PDBC50194","788111","Present"
-"NSC788123","","","","","","","","","","","","","","","","","","","","NSC788123","","C1CCC(C1)(CCCN=C(N)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3","MOBWIWCMRFKHMJ-UHFFFAOYSA-N","155812112",NA,"PDBC50195","788123","Present"
-"NSC788125","","","","","","","","","","","","","","","","","","","","NSC788125","","C1=CC(=CC=C1NC(=NCCCOC2=CC=C(C=C2)Cl)N)Cl","KIADWGUPUNVJCJ-UHFFFAOYSA-N","155811919",NA,"PDBC50196","788125","Present"
-"NSC788126","","","","","","","","","","","","","","","","","","","","NSC788126","","C1=CC(=CC=C1C(F)(F)F)NC(=NCCCOC2=CC=C(C=C2)Cl)N","KLMZKCDQJXHCTK-UHFFFAOYSA-N","155808957",NA,"PDBC50197","788126","Present"
-"NSC788170","","","","","","","","","","","","","","","","","","","","NSC788170","","CC1=C(SC(=N1)NC2=CC(=C(C=C2)F)Cl)C(=O)O","WVFABLYFMLDSGF-UHFFFAOYSA-N","28690611",NA,"PDBC50198","788170","Present"
-"NSC788176","","","","","","","","","","","","","","","","","","","","NSC788176","","CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)Cl)C","QFQVBSSONVIBFL-UHFFFAOYSA-N","4766537",NA,"PDBC50199","788176","Present"
-"NSC788200","","","","","","","","","","","","","","","","","","","","NSC788200","","C1=CC2=C(C(=C1)C(F)(F)F)OC(=O)C(=C2)C3=CSC(=N3)NC4=CC=C(C=C4)OCCF","GOECNPWEAHFRPL-UHFFFAOYSA-N","155805584",NA,"PDBC50200","788200","Present"
-"NSC788201","","","","","","","","","","","","","","","","","","","","NSC788201","","COC1=CC=CC=C1NC2=NC(=CS2)C3=CC4=C(C(=CC=C4)C(F)(F)F)OC3=O","PVZJHXTVGNZLIN-UHFFFAOYSA-N","117608417",NA,"PDBC50201","788201","Present"
-"NSC788324","","","","","","","","","","","","","","","","","","","","NSC788324","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)OC7CCC(CC7)SN=C(N)N=C(N)N(C)C)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)OC(=O)C","UZZROUAVLJZWBL-LNGRUGTISA-N","155805810",NA,"PDBC50202","788324","Present"
-"NSC788364","","","","","","","","","","","","","","","","","","","","NSC788364","","CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)OC(F)(F)F)F","LPOSNDRTSSCAQB-UHFFFAOYSA-N","155813764",NA,"PDBC50203","788364","Present"
-"NSC788430","","","","","","","","","","","","","","","","","","","","NSC788430","","C1CN(CC1C(=O)NC2=NC=C(S2)C3=CC=CC=C3)C#N","DPOQOSJMDTZFOR-LBPRGKRZSA-N","118980596",NA,"PDBC50204","788430","Present"
-"NSC788432","","","","","","","","","","","","","","","","","","","","NSC788432","","C1CN(CC1C(=O)NC2=CN(C=N2)C3=CC=C(C=C3)C#N)C#N","GTJHSKGLDZMWQA-ZDUSSCGKSA-N","118980215",NA,"PDBC50205","788432","Present"
-"NSC788433","","","","","","","","","","","","","","","","","","","","NSC788433","","C1CN(CC1C(=O)NC2=NC=C(S2)C3=CC=NC=C3)C#N","PWOVGFSZWNUABM-NSHDSACASA-N","118980605",NA,"PDBC50206","788433","Present"
-"NSC788434","","","","","","","","","","","","","","","","","","","","NSC788434","","C1CN(CC1C(=O)NC2=NC=C3C=CC(=CC3=C2)C(=O)N)C#N","OPMHXWMODHWNRI-LBPRGKRZSA-N","118980660",NA,"PDBC50207","788434","Present"
-"NSC788604","","","","","","","","","","","","","","","","","","","","NSC788604","","CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)C4CO4)C(C)C)OC(=O)C=CC5=CC=CC=C5","MMWITVMCPREGKY-OUGHCWOGSA-N","155809044",NA,"PDBC50208","788604","Present"
-"NSC788605","","","","","","","","","","","","","","","","","","","","NSC788605","","CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)C4CO4)C(C)C)OC(=O)C=CC5=CC=CC=C5","MMWITVMCPREGKY-PMCMQEFQSA-N","155815100",NA,"PDBC50209","788605","Present"
-"NSC788648","","","","","","","","","","","","","","","","","","","","NSC788648","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C(=C3)I)O)CN(CC4=CC=CC=N4)CC5=CC=CC=N5","IOAJMSYATCXPDH-UHFFFAOYSA-N","155813449",NA,"PDBC50210","788648","Present"
-"NSC788649","","","","","","","","","","","","","","","","","","","","NSC788649","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)O)CN(CC4=CC=CC=N4)CC5=CC=CC=N5","NWHNNYSLAYXMJE-UHFFFAOYSA-N","155811983",NA,"PDBC50211","788649","Present"
-"NSC788650","","","","","","","","","","","","","","","","","","","","NSC788650","","COC1=CC=CC=C1[N+]2=C3CCCCCN3C(=C2)C4=CC=C(C=C4)C5=CC=CC=C5","ZXQNQLPFZBEUMQ-UHFFFAOYSA-N","123514549",NA,"PDBC50212","788650","Present"
-"NSC788706","","","","","","","","","","","","","","","","","","","","NSC788706","","","","",NA,"PDBC50213","788706","Present"
-"NSC788725","","","","","","","","","","","","","","","","","","","","NSC788725","","CC1(C2CC=C3C(C2(C=CC1OC(=O)N)CO)CCC4(C3(CC(C4C5=COC(=O)C=C5)Cl)O)C)C","ZWVKSWXYGXZVSL-ZDQYYBRASA-N","155813368",NA,"PDBC50214","788725","Present"
-"NSC788727","","","","","","","","","","","","","","","","","","","","NSC788727","","CC1(C2CC=C3C(C2(C4C(C1OC(=O)N)O4)CO)CCC5(C3(CC(C5C6=COC(=O)C=C6)Cl)O)C)C","KMYIVKVGTYJHCV-OYFNOYEBSA-N","155815162",NA,"PDBC50215","788727","Present"
-"NSC788897","","","","","","","","","","","","","","","","","","","","NSC788897","","CC1=CC=C(C=C1)N2C(=NN=C2SC)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC(=CC=C6)O","QGJCQEGKQISZIX-UHFFFAOYSA-N","155816491",NA,"PDBC50216","788897","Present"
-"NSC788899","","","","","","","","","","","","","","","","","","","","NSC788899","","CCN1C(=NNC1=S)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC(=CC=C5)O","OEBFXOFNAWRBGX-UHFFFAOYSA-N","155816438",NA,"PDBC50217","788899","Present"
-"NSC788966","","","","","","","","","","","","","","","","","","","","NSC788966","","CC(=NOC)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4","DUSGWCLVFPMRBQ-RHANQZHGSA-N","155807295",NA,"PDBC50218","788966","Present"
-"NSC788999","","","","","","","","","","","","","","","","","","","","NSC788999","","COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C(CC(=N4)C5=CC=C(C=C5)N)C6=CC=C(C=C6)Cl","YVYXRTWRIBVDKE-UHFFFAOYSA-N","155813221",NA,"PDBC50219","788999","Present"
-"NSC789000","","","","","","","","","","","","","","","","","","","","NSC789000","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C(CC(=N4)C5=CC=C(C=C5)N)C6=CC=C(C=C6)Cl","NHWXRKILCYXMMH-UHFFFAOYSA-N","155807078",NA,"PDBC50220","789000","Present"
-"NSC789001","","","","","","","","","","","","","","","","","","","","NSC789001","","CC(=O)NC1=NC(=C(S1)C2=NC(=NC=C2)NCCNS(=O)(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)OC","NBJLDHYKGSQNDS-UHFFFAOYSA-N","155810547",NA,"PDBC50221","789001","Present"
-"NSC789007","","","","","","","","","","","","","","","","","","","","NSC789007","","CCNC1=NC(=C(S1)C2=NC(=NC=C2)NCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)OC","ZYYRWQBSELMARJ-UHFFFAOYSA-N","155816861",NA,"PDBC50222","789007","Present"
-"NSC789012","","","","","","","","","","","","","","","","","","","","NSC789012","","C1COCCN1CCC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","IDEZETQWHATSCL-UHFFFAOYSA-N","155812269",NA,"PDBC50223","789012","Present"
-"NSC789013","","","","","","","","","","","","","","","","","","","","NSC789013","","CN1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)OC)C5=CC=NC=C5","UPJXYFRPDYBKCV-UHFFFAOYSA-N","155815316",NA,"PDBC50224","789013","Present"
-"NSC789042","","","","","","","","","","","","","","","","","","","","NSC789042","","CC1=C(C2=C(N1)C=CC(=C2)F)C3=NC4=C5C=CC=NC5=C6C(=C4N3)C=CC=N6","NIRXBXIPHUTNNI-UHFFFAOYSA-N","11960271",NA,"PDBC50225","789042","Present"
-"NSC789115","","","","","","","","","","","","","","","","","","","","NSC789115","","CCCCN1C(=O)C(=C(NC1=O)N)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=O)N(C(=O)N5)CCCC","XWFHECOIJPTMNB-LJQANCHMSA-N","155816514",NA,"PDBC50226","789115","Present"
-"NSC789120","","","","","","","","","","","","","","","","","","","","NSC789120","","CC1=CC(=CC(=C1)OC2=C(C=C3C(=C2)C(=O)N(C(C(=O)N3)CC(=O)N(C)O)C)NC(=O)C4=CC(=C(C(=C4Br)OC)OC)OC)C","JXWNGQYVYDAIKJ-QFIPXVFZSA-N","155807549",NA,"PDBC50227","789120","Present"
-"NSC789127","","","","","","","","","","","","","","","","","","","","NSC789127","","C1=CC=C(C=C1)N2C(=NNC2=S)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC(=CC=C6)O","HTIHMOOUTZXDBA-UHFFFAOYSA-N","155807386",NA,"PDBC50228","789127","Present"
-"NSC789149","","","","","","","","","","","","","","","","","","","","NSC789149","","CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=N5)Cl)Cl","RXMMAYQOSOFMRN-UHFFFAOYSA-N","121416206",NA,"PDBC50229","789149","Present"
-"NSC789150","","","","","","","","","","","","","","","","","","","","NSC789150","","CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=C(C=C4)F)Cl)Cl","WEVXFHBMHZDTAQ-UHFFFAOYSA-N","121416263",NA,"PDBC50230","789150","Present"
-"NSC789194","","","","","","","","","","","","","","","","","","","","NSC789194","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)OC)CCCCN6CCOCC6","BYULZJSQEJWSBP-UHFFFAOYSA-N","155812167",NA,"PDBC50231","789194","Present"
-"NSC789195","","","","","","","","","","","","","","","","","","","","NSC789195","","COC1=CC2=C(C=C1)N(C=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5)CCCCN6CCOCC6","YMVMKSJHKSHGNH-UHFFFAOYSA-N","155812561",NA,"PDBC50232","789195","Present"
-"NSC789237","","","","","","","","","","","","","","","","","","","","NSC789237","","CCCCCSC1C2C(=O)C(=CC13CCNC4=C3C5=[N+]2CCC6=C5C(=C4O)N=C6)Br","WGXGTHOZTZZBGG-UHFFFAOYSA-O","155811986",NA,"PDBC50233","789237","Present"
-"NSC789274","","","","","","","","","","","","","","","","","","","","NSC789274","","C1CC2=C(C(C3=C(O2)C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C#N)C(=O)C1","GNRDJKFFIYBYIO-UHFFFAOYSA-N","72725385",NA,"PDBC50234","789274","Present"
-"NSC789276","","","","","","","","","","","","","","","","","","","","NSC789276","","C1CC2=C(C(C3=C(O2)C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(=O)N)C(=O)C1","OEATVMQBESSMSU-UHFFFAOYSA-N","155807499",NA,"PDBC50235","789276","Present"
-"NSC789277","","","","","","","","","","","","","","","","","","","","NSC789277","","C1CC2=C(C(C3=C(O2)C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)S(=O)(=O)N)C(=O)C1","YXJQXCGICBEGBL-UHFFFAOYSA-N","155815327",NA,"PDBC50236","789277","Present"
-"NSC789518","","","","","","","","","","","","","","","","","","","","NSC789518","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)NC(=O)CCl","FVBACBMWEZTDOY-UHFFFAOYSA-N","56839171",NA,"PDBC50237","789518","Present"
-"NSC789521","","","","","","","","","","","","","","","","","","","","NSC789521","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCl","PISCNZOQCXLEAX-UHFFFAOYSA-N","3100887",NA,"PDBC50238","789521","Present"
-"NSC789575","","","","","","","","","","","","","","","","","","","","NSC789575","","C1=CC(=CC=C1C2=CC(=NC3=C2SC(=O)N3)C(=O)NC4=CC=C(C=C4)Cl)Cl","DYOGTZIHGVZHDA-UHFFFAOYSA-N","155805589",NA,"PDBC50239","789575","Present"
-"NSC789606","","","","","","","","","","","","","","","","","","","","NSC789606","","CCOC(=O)C(CC1=CC=CC=C1)N2C(=C(SC2=S)C=NC3=NC=C(S3)CC4=C(C=C(C=C4)Cl)Cl)O","LEUFJLGABNOREL-IPPBACCNSA-N","155810430",NA,"PDBC50240","789606","Present"
-"NSC789694","","","","","","","","","","","","","","","","","","","","NSC789694","","C1C(OC(=N1)C2=C(C=CC(=C2)C#N)O)C3=CC=C(C=C3)C4=CC=CC=C4","JIHOFSADISTTBZ-UHFFFAOYSA-N","155806935",NA,"PDBC50241","789694","Present"
-"NSC789696","","","","","","","","","","","","","","","","","","","","NSC789696","","C1C(OC(=N1)C2=C(C=CC(=C2)C#N)O)C3=CC(=CC=C3)OC4=CC=CC=C4","BIZLWSAYDDEREM-UHFFFAOYSA-N","155812213",NA,"PDBC50242","789696","Present"
-"NSC789717","","","","","","","","","","","","","","","","","","","","NSC789717","","CCC1=CC=C(C=C1)OC2=C(N(N=C2C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Cl)O)C)C(F)(F)F","HLJMXSUEYRYBGG-UHFFFAOYSA-N","137183249",NA,"PDBC50243","789717","Present"
-"NSC789719","","","","","","","","","","","","","","","","","","","","NSC789719","","CCC1=CC=C(C=C1)OC2=C(NN=C2C3=C(C=C(C=C3)OCCC4=CC(=CC=C4)C(F)(F)F)O)C(F)(F)F","SYDHFRVATBESBL-UHFFFAOYSA-N","137183486",NA,"PDBC50244","789719","Present"
-"NSC789721","","","","","","","","","","","","","","","","","","","","NSC789721","","CCC1=CC=C(C=C1)OC2=C(NN=C2C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Cl)O)C(F)(F)F","JTTDNXQDEAASFM-UHFFFAOYSA-N","137183252",NA,"PDBC50245","789721","Present"
-"NSC789741","","","","","","","","","","","","","","","","","","","","NSC789741","","CC1=CC(=CN2C1=C(C=C2C(=O)C)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5S4)C","GCAXQSODENRPNX-UHFFFAOYSA-N","155808669",NA,"PDBC50246","789741","Present"
-"NSC789742","","","","","","","","","","","","","","","","","","","","NSC789742","","CC(=O)C1=CC(=C2N1C=CC(=C2)OC)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5S4","BCMHNIFQYIRJNQ-UHFFFAOYSA-N","155813641",NA,"PDBC50247","789742","Present"
-"NSC789744","","","","","","","","","","","","","","","","","","","","NSC789744","","COC1=C(C=C(C=C1)CN2C3=CC=CC=C3CCC4=CC=CC=C42)F","ZZFSHTTUYZUNFE-UHFFFAOYSA-N","134156514",NA,"PDBC50248","789744","Present"
-"NSC789796","","","","","","","","","","","","","","","","","","","","NSC789796","","COC1=CC(=CC=C1)OC2=CC=CC=C2NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43","HDMONPHKMIZXDH-UHFFFAOYSA-N","126718388",NA,"PDBC50249","789796","Present"
-"NSC789800","","","","","","","","","","","","","","","","","","","","NSC789800","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCCN4C","KUQCTZDBHFNEGO-JYADXHFPSA-N","122521731",NA,"PDBC50250","789800","Present"
-"NSC789801","","","","","","","","","","","","","","","","","","","","NSC789801","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCN4C","BQHIFQJFKOQJKH-YKOJTFIZSA-N","122521420",NA,"PDBC50251","789801","Present"
-"NSC789802","","","","","","","","","","","","","","","","","","","","NSC789802","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCN4C","LILJYURXDAFOMS-XWPXHHJHSA-N","122521419",NA,"PDBC50252","789802","Present"
-"NSC789803","","","","","","","","","","","","","","","","","","","","NSC789803","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C3(CC3)NC(=O)C4CCCCN4C","ZARDNQDTUPANLY-NWYFSMRYSA-N","122521601",NA,"PDBC50253","789803","Present"
-"NSC789804","","","","","","","","","","","","","","","","","","","","NSC789804","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C3(CCC3)NC(=O)C4CCCCN4C","LNYFUFRCOQNPPN-AVJPYTMQSA-N","122521613",NA,"PDBC50254","789804","Present"
-"NSC789805","","","","","","","","","","","","","","","","","","","","NSC789805","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3=CC=C(C=C3)F)NC(=O)C4CCCCN4C","LOIGMHAJYDLWIT-OFTWBVLWSA-N","122521768",NA,"PDBC50255","789805","Present"
-"NSC789806","","","","","","","","","","","","","","","","","","","","NSC789806","","CC(C)C(CC(C1=NC(=CS1)C(=O)NNC(CC2=CC=CC=C2)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCCN4C","AOUVGNQKNIBYFZ-JYADXHFPSA-N","122521769",NA,"PDBC50256","789806","Present"
-"NSC789807","","","","","","","","","","","","","","","","","","","","NSC789807","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","CDCLEXKRVZGCDZ-MRHPGVARSA-N","122521587",NA,"PDBC50257","789807","Present"
-"NSC789808","","","","","","","","","","","","","","","","","","","","NSC789808","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CCCCC3)NC(=O)C4CCCCN4C","IUEMMLIYYOTWJV-UIOOHTPSSA-N","122521586",NA,"PDBC50258","789808","Present"
-"NSC789814","","","","","","","","","","","","","","","","","","","","NSC789814","","CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C#N)C3=CC(=C(C(=C3)OC)OC)OC","SCQUJKAKGSPOKF-UHFFFAOYSA-N","155813574",NA,"PDBC50259","789814","Present"
-"NSC789833","","","","","","","","","","","","","","","","","","","","NSC789833","","","","",NA,"PDBC50260","789833","Present"
-"NSC789834","","","","","","","","","","","","","","","","","","","","NSC789834","","","","",NA,"PDBC50261","789834","Present"
-"NSC789880","","","","","","","","","","","","","","","","","","","","NSC789880","","CN(C)CCS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)Cl","UNTCRECTCLAQRP-UHFFFAOYSA-N","121427548",NA,"PDBC50262","789880","Present"
-"NSC789881","","","","","","","","","","","","","","","","","","","","NSC789881","","C1COCCN1CCS(=O)(=O)NC2=C(N=CC(=C2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)Cl","KZEKKALQVPDFBJ-UHFFFAOYSA-N","121427549",NA,"PDBC50263","789881","Present"
-"NSC789941","","","","","","","","","","","","","","","","","","","","NSC789941","","COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC","QQZSZORATYMFRL-FRKPEAEDSA-N","155807927",NA,"PDBC50264","789941","Present"
-"NSC790009","","","","","","","","","","","","","","","","","","","","NSC790009","","CCN1C(=NN=C1SC)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC(=CC=C5)O","QRYVLVAYMFFRMX-UHFFFAOYSA-N","155807640",NA,"PDBC50265","790009","Present"
-"NSC790031","","","","","","","","","","","","","","","","","","","","NSC790031","","C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C4=NC5=CC=CC=C5S4","SSELQQWLXCWZBY-UHFFFAOYSA-N","155816907",NA,"PDBC50266","790031","Present"
-"NSC790067","","","","","","","","","","","","","","","","","","","","NSC790067","","CC(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=C(C=C3)OC)C(=O)NCC4=CC5=C(C=C4)OCO5","HFXUNRBGOXGILH-MRXNPFEDSA-N","92503693",NA,"PDBC50267","790067","Present"
-"NSC790130","","","","","","","","","","","","","","","","","","","","NSC790130","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3=NC=CC=N3","LMBGRDVWBMYFAJ-CLCYSURZSA-N","122521416",NA,"PDBC50268","790130","Present"
-"NSC790131","","","","","","","","","","","","","","","","","","","","NSC790131","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3=NC=CN=C3","VHXNYDWHTHHFHC-PAYNUJHGSA-N","122521572",NA,"PDBC50269","790131","Present"
-"NSC790132","","","","","","","","","","","","","","","","","","","","NSC790132","","CC(C)C(CC(C1=NC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCCN4C","HBASMHUJPQYJFY-HTJBAMOESA-N","122521772",NA,"PDBC50270","790132","Present"
-"NSC790133","","","","","","","","","","","","","","","","","","","","NSC790133","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","YWIMQDWEVLCLKX-KKAKTOJHSA-N","122521693",NA,"PDBC50271","790133","Present"
-"NSC790134","","","","","","","","","","","","","","","","","","","","NSC790134","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","DEMBWENYOAYGSY-XEXNZUFDSA-N","122521451",NA,"PDBC50272","790134","Present"
-"NSC790135","","","","","","","","","","","","","","","","","","","","NSC790135","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3=CC=CN3C","LOFFYJHTSWKCCC-KXCRJABJSA-N","122521807",NA,"PDBC50273","790135","Present"
-"NSC790136","","","","","","","","","","","","","","","","","","","","NSC790136","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3=NC=CN3C","UNOAYYWYQKLCQG-CLCYSURZSA-N","122521801",NA,"PDBC50274","790136","Present"
-"NSC790137","","","","","","","","","","","","","","","","","","","","NSC790137","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC23C4C5C2C6C3C4C56C(=O)OC)OC(=O)C)N(C)C(=O)C(C7CC7)NC(=O)C8CCCCN8C","JUYOQLHUDZERPL-CLQIKQQLSA-N","122521802",NA,"PDBC50275","790137","Present"
-"NSC790138","","","","","","","","","","","","","","","","","","","","NSC790138","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC23CC(C2)(C3)C(=O)OC)OC(=O)C)N(C)C(=O)C(C4CC4)NC(=O)C5CCCCN5C","QMMMFDSIDJHQIT-RUJGCPEASA-N","134494134",NA,"PDBC50276","790138","Present"
-"NSC790144","","","","","","","","","","","","","","","","","","","","NSC790144","","CCC(=C(C1=CC=C(C=C1)OCCN2CCCCC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O","RKIQXAIFUALRFP-ZIADKAODSA-N","155808623",NA,"PDBC50277","790144","Present"
-"NSC790148","","","","","","","","","","","","","","","","","","","","NSC790148","","CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN3CCCCC3)C4=CC=C(C=C4)OC","LTYPTAAQURFING-QVIHXGFCSA-N","155813693",NA,"PDBC50278","790148","Present"
-"NSC790429","","","","","","","","","","","","","","","","","","","","NSC790429","","COC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43","MWVUTJGWWQAYHV-UHFFFAOYSA-N","126718386",NA,"PDBC50279","790429","Present"
-"NSC790430","","","","","","","","","","","","","","","","","","","","NSC790430","","C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)NC3=CC=CC=C3OC4=CC=C(C=C4)O","LVRTUQMDTQKUDM-UHFFFAOYSA-N","126718434",NA,"PDBC50280","790430","Present"
-"NSC790431","","","","","","","","","","","","","","","","","","","","NSC790431","","C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)NC3=CC=CC=C3OC4=CC=CC(=C4)O","GXFNPHHZWRAOEU-UHFFFAOYSA-N","126718387",NA,"PDBC50281","790431","Present"
-"NSC790434","","","","","","","","","","","","","","","","","","","","NSC790434","","C1C(N(N=C1C2=CC=C(C=C2)Cl)C=O)C3=CC(=CC=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","MARTWVLNZCOXQK-UHFFFAOYSA-N","137645128",NA,"PDBC50282","790434","Present"
-"NSC790435","","","","","","","","","","","","","","","","","","","","NSC790435","","COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)C=O","ZLLDSJJEXNKQDK-UHFFFAOYSA-N","137659653",NA,"PDBC50283","790435","Present"
-"NSC790447","","","","","","","","","","","","","","","","","","","","NSC790447","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NCCO)NCCO)C(F)(F)F","JSYZOTJTLGLUOA-XCVCLJGOSA-N","155810992",NA,"PDBC50284","790447","Present"
-"NSC790455","","","","","","","","","","","","","","","","","","","","NSC790455","","COC1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl","USJXOUQFTMXFGK-LFYBBSHMSA-N","25114161",NA,"PDBC50285","790455","Present"
-"NSC790456","","","","","","","","","","","","","","","","","","","","NSC790456","","COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CC(=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl","CTFKVYPZJQECAE-JXMROGBWSA-N","137632733",NA,"PDBC50286","790456","Present"
-"NSC790485","","","","","","","","","","","","","","","","","","","","NSC790485","","CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)NC5CC(NC(C5)(C)C)(C)C","RHFDLFMYKLNDTP-CYFIQEHSSA-N","58506728",NA,"PDBC50287","790485","Present"
-"NSC790487","","","","","","","","","","","","","","","","","","","","NSC790487","","CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)NC5CC(N(C(C5)(C)C)C)(C)C","ZGDPAFLZPCFVEI-WMELESEDSA-N","155817203",NA,"PDBC50288","790487","Present"
-"NSC790562","","","","","","","","","","","","","","","","","","","","NSC790562","","CC1=CC=C(C=C1)C=C(C#N)N2C3=C(N=CC=C3)N=N2","OHBFMIWIKCRKJV-LCYFTJDESA-N","155811853",NA,"PDBC50289","790562","Present"
-"NSC790632","","","","","","","","","","","","","","","","","","","","NSC790632","","CN1CCC(CC1)CNC2=NC=NC(=C2)C3(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)F","JAPFWPKKYCBJSP-UHFFFAOYSA-N","155812553",NA,"PDBC50290","790632","Present"
-"NSC790633","","","","","","","","","","","","","","","","","","","","NSC790633","","CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C6=C(CCC6C(=O)OC)SC5=NC=N4","AGNBPIWNGUVZTR-UHFFFAOYSA-N","155810099",NA,"PDBC50291","790633","Present"
-"NSC790634","","","","","","","","","","","","","","","","","","","","NSC790634","","CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C6=C(CCCC6)SC5=NC=N4","VPOIJBBUEJYXGJ-UHFFFAOYSA-N","155816617",NA,"PDBC50292","790634","Present"
-"NSC790654","","","","","","","","","","","","","","","","","","","","NSC790654","","CCN1CCN(CC1)C2=NC(=NC(=C2)C)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","HKENZGUOKPDDLE-UHFFFAOYSA-N","137636936",NA,"PDBC50293","790654","Present"
-"NSC790655","","","","","","","","","","","","","","","","","","","","NSC790655","","CC1=CC(=NC(=N1)N2CCCCC2)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","CTDXGYPPSNNUGO-UHFFFAOYSA-N","137641165",NA,"PDBC50294","790655","Present"
-"NSC790656","","","","","","","","","","","","","","","","","","","","NSC790656","","CC1=CC(=NC(=N1)N2CCOCC2)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","PCZJIHSJYQPDPQ-UHFFFAOYSA-N","137659187",NA,"PDBC50295","790656","Present"
-"NSC790657","","","","","","","","","","","","","","","","","","","","NSC790657","","CCN1CCN(CC1)C2=NC(=CC(=N2)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6)C","AYCDSVAQRAKGOM-UHFFFAOYSA-N","137650578",NA,"PDBC50296","790657","Present"
-"NSC790658","","","","","","","","","","","","","","","","","","","","NSC790658","","CC1=CC(=NC(=N1)N2CCCC2)N(CCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","FSMOSEAOAQGVNR-UHFFFAOYSA-N","137636969",NA,"PDBC50297","790658","Present"
-"NSC790659","","","","","","","","","","","","","","","","","","","","NSC790659","","CCN1CCN(CC1)C2=NC(=CC(=N2)N(CCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6)C","NESNILOFQMUITI-UHFFFAOYSA-N","137659399",NA,"PDBC50298","790659","Present"
-"NSC790660","","","","","","","","","","","","","","","","","","","","NSC790660","","C1OC2=C(O1)C=C(C=C2)CNCCCNC3=C4C=CC(=CC4=NC=C3)Cl","KMDPUNCRTTTYLF-UHFFFAOYSA-N","137635078",NA,"PDBC50299","790660","Present"
-"NSC790661","","","","","","","","","","","","","","","","","","","","NSC790661","","CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC5=C(C=C4)OCO5)N6CCCC6","JOYZHSMYCGSCEN-UHFFFAOYSA-N","137661964",NA,"PDBC50300","790661","Present"
-"NSC790662","","","","","","","","","","","","","","","","","","","","NSC790662","","CC1=CC(=NC(=N1)N2CCN(CC2)C)N(CCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","JONWOHQYMYUSPU-UHFFFAOYSA-N","155813521",NA,"PDBC50301","790662","Present"
-"NSC790667","","","","","","","","","","","","","","","","","","","","NSC790667","","CC1=CC(=NC(=N1)Cl)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CS4","FJZBFNDBAKKTDT-UHFFFAOYSA-N","155812173",NA,"PDBC50302","790667","Present"
-"NSC790668","","","","","","","","","","","","","","","","","","","","NSC790668","","CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CS4)N5CCOCC5","WWZDTXUJIPSUKV-UHFFFAOYSA-N","155812256",NA,"PDBC50303","790668","Present"
-"NSC790669","","","","","","","","","","","","","","","","","","","","NSC790669","","CC(=CCC1=CC2=C(C=C1O)C3=C(C(O2)C=C(C)C)C(=O)C4=C(C3=O)S(=O)(=O)CCN4)C","ZDYMWSHWACROJT-UHFFFAOYSA-N","132607308",NA,"PDBC50304","790669","Present"
-"NSC790670","","","","","","","","","","","","","","","","","","","","NSC790670","","CC(=CCC1=CC2=C(C=C1O)C3=C(C(O2)C=C(C)C)C(=O)C4=C(C3=O)NCCS4(=O)=O)C","AYOCSJHXIVDRKX-UHFFFAOYSA-N","137651377",NA,"PDBC50305","790670","Present"
-"NSC790671","","","","","","","","","","","","","","","","","","","","NSC790671","","CC(=CCC1=C2C(=CC(=C1)O)C3=C(C(O2)C=C(C)C)C(=O)C4=C(C3=O)S(=O)(=O)CCN4)C","BEBROZBOEIGACW-UHFFFAOYSA-N","137651802",NA,"PDBC50306","790671","Present"
-"NSC790672","","","","","","","","","","","","","","","","","","","","NSC790672","","CC(=CCC1=C2C(=CC(=C1)O)C3=C(C(O2)C=C(C)C)C(=O)C4=C(C3=O)NCCS4(=O)=O)C","QZMAZKCZBNCGQN-UHFFFAOYSA-N","137652899",NA,"PDBC50307","790672","Present"
-"NSC790900","","","","","","","","","","","","","","","","","","","","NSC790900","","CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C5=C(N6C=CC=CC6=N5)NC78CC9CC(C7)CC(C9)C8)O)O)O)O)O)O)C1=C(N2C=CC=CC2=N1)NC12CC3CC(C1)CC(C3)C2","MWEQAUXONKDOFE-UHFFFAOYSA-N","155805820",NA,"PDBC50308","790900","Present"
-"NSC790901","","","","","","","","","","","","","","","","","","","","NSC790901","","CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C5=C(N6C=CC=CC6=N5)N)O)O)O)O)O)O)C7=C(N8C=CC=CC8=N7)N","YORNBNBNXPFSBV-UHFFFAOYSA-N","155816972",NA,"PDBC50309","790901","Present"
-"NSC790909","","","","","","","","","","","","","","","","","","","","NSC790909","","CC1=CC23C(=C(C4(CC4)C(C2=O)(C)O)C)C1C(=C3C(=O)OC)C(=O)OC","KRUKLNWJDVMOKH-HSECVZGPSA-N","150859968",NA,"PDBC50310","790909","Present"
-"NSC790910","","","","","","","","","","","","","","","","","","","","NSC790910","","CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CCCNS(=O)(=O)C","KQZMLURLEPTJGX-KRWDZBQOSA-N","45487201",NA,"PDBC50311","790910","Present"
-"NSC790974","","","","","","","","","","","","","","","","","","","","NSC790974","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)F)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","NOHZAMCDAHZSLN-OPHYPICJSA-N","122521423",NA,"PDBC50312","790974","Present"
-"NSC790975","","","","","","","","","","","","","","","","","","","","NSC790975","","CCC(C)C(C(=O)N(C)C(CCC1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)C(C)C)NC(=O)C3CCCCN3C","AUPVOCFRBVOTHG-RIQXQDLUSA-N","90304707",NA,"PDBC50313","790975","Present"
-"NSC790976","","","","","","","","","","","","","","","","","","","","NSC790976","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CN(C3=CC=CC=C32)C)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","OIJRTDSHYYRZIA-PRHUCGOSSA-N","122521770",NA,"PDBC50314","790976","Present"
-"NSC790978","","","","","","","","","","","","","","","","","","","","NSC790978","","CC(C)C(CCC1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","RWIHPZQNJVUHIP-CQTULYKTSA-N","122521380",NA,"PDBC50315","790978","Present"
-"NSC790981","","","","","","","","","","","","","","","","","","","","NSC790981","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC23CC(C2)(C3)CC(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","WQNXUUZSYVGKJY-NRGLMKKFSA-N","155811002",NA,"PDBC50316","790981","Present"
-"NSC790982","","","","","","","","","","","","","","","","","","","","NSC790982","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)F)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCCN4C","NWCMQYUOJQTOPK-BMAWYFLISA-N","122521854",NA,"PDBC50317","790982","Present"
-"NSC790983","","","","","","","","","","","","","","","","","","","","NSC790983","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC2CCC(CC2)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","RHQPUEZFTAFJBR-WZMKLFQESA-N","122521849",NA,"PDBC50318","790983","Present"
-"NSC790986","","","","","","","","","","","","","","","","","","","","NSC790986","","CC[N+]1=C(SC2=CC=CC=C21)C=CC=C3C(C4=CC=CC=C4N3C)(C)C","NIAOXEKTWMHVEO-UHFFFAOYSA-N","2255547",NA,"PDBC50319","790986","Present"
-"NSC790988","","","","","","","","","","","","","","","","","","","","NSC790988","","CCN1C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)N(C1=CC=CC5=[N+](C6=C(N5C7=CC=CC=C7)C=CC(=C6)C8=NC9=CC=CC=C9S8)CC)C1=CC=CC=C1","XSBFPUVILZTRSY-UHFFFAOYSA-N","5759702",NA,"PDBC50320","790988","Present"
-"NSC790989","","","","","","","","","","","","","","","","","","","","NSC790989","","CN1C2=CC=CC=C2SC1=CC3=[N+](C(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)CC=C","DCFHNESNKIDDCH-UHFFFAOYSA-N","6140198",NA,"PDBC50321","790989","Present"
-"NSC790990","","","","","","","","","","","","","","","","","","","","NSC790990","","CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=C(S3)C=CC(=C4)OC)CC=C)C)C","ZPOHXFYSBZVFAD-UHFFFAOYSA-N","46500813",NA,"PDBC50322","790990","Present"
-"NSC791001","","","","","","","","","","","","","","","","","","","","NSC791001","","CCCCCC(CC=C)OC1C(C(C(C(O1)C)OC(=O)C)O)OC2C(C(C(C(O2)COC(=O)CCC(=O)CCCC=C)OC(=O)C=CC3=CC=CC=C3)OC(=O)C(=CC)C)O","YXMBOADAZLFTER-VPYMFUEISA-N","155816820",NA,"PDBC50323","791001","Present"
-"NSC791024","","","","","","","","","","","","","","","","","","","","NSC791024","","C1COCCN1C2=CC(=O)C3=C(O2)C(=CS3)C4=CC5=C(C=C4)OCCO5","BYTKNUOMWLJVNQ-UHFFFAOYSA-N","44180156",NA,"PDBC50324","791024","Present"
-"NSC791068","","","","","","","","","","","","","","","","","","","","NSC791068","","CC1=CC(=CC(=C1OC)C)C(=O)C2=CC(=C(C=C2)OC)OC(=O)CCl","MZYUPCJGYBIGNH-UHFFFAOYSA-N","155811783",NA,"PDBC50325","791068","Present"
-"NSC791077","","","","","","","","","","","","","","","","","","","","NSC791077","","CC1=CC=CN2C1=C(C=C2C(=O)C)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5S4","IGRCLHMCFGOGPV-UHFFFAOYSA-N","155814945",NA,"PDBC50326","791077","Present"
-"NSC791093","","","","","","","","","","","","","","","","","","","","NSC791093","","CC1=C(C=C(C=C1)NC(=O)C2=C(OC(=N2)S(=O)C)C3=CC=C(C=C3)F)NC4=NC=CC(=N4)C5=CN=CC=C5","SMLJLOXSMYOLPO-UHFFFAOYSA-N","71609264",NA,"PDBC50327","791093","Present"
-"NSC791095","","","","","","","","","","","","","","","","","","","","NSC791095","","CC1=C(C=C(C=C1)NC(=O)C2=C(OC(=N2)S(=O)(=O)C)C3=CC=C(C=C3)F)NC4=CC5=C(C=C4)N=CN(C5=O)C","UMYAUMONRDEOEA-UHFFFAOYSA-N","86729701",NA,"PDBC50328","791095","Present"
-"NSC791097","","","","","","","","","","","","","","","","","","","","NSC791097","","CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(N2)SCCN(C)C)C3=CC=C(C=C3)F)C#CC4=CN=C5N4N=CC=C5","MAVBCBMIMAQIPF-UHFFFAOYSA-N","86729708",NA,"PDBC50329","791097","Present"
-"NSC791114","","","","","","","","","","","","","","","","","","","","NSC791114","","CCOC(=O)C1=C(N=C2C(=C1N)CC(=O)N2CCC3=CC=CC=C3)C","WNZIVFASJUFZEO-UHFFFAOYSA-N","155812043",NA,"PDBC50330","791114","Present"
-"NSC791116","","","","","","","","","","","","","","","","","","","","NSC791116","","CCOC(=O)C1=C(N=C2C(=C1N)C(=CC3=CC=CC=N3)C(=O)N2CC4=CC=CC=C4)C","JSILFCDDAWSWSV-AQTBWJFISA-N","155810409",NA,"PDBC50331","791116","Present"
-"NSC791128","","","","","","","","","","","","","","","","","","","","NSC791128","","COC1=CC2=C(C=C1)C=C3CCCC4=CC5=C(C=C(C=C5)OC)OC34O2","REKLPESMBFFKPZ-UHFFFAOYSA-N","155813232",NA,"PDBC50332","791128","Present"
-"NSC791131","","","","","","","","","","","","","","","","","","","","NSC791131","","CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CCCOC(=O)C(CC(C)C)N","VCTJKDJOJQNNTN-GCJKJVERSA-N","155805720",NA,"PDBC50333","791131","Present"
-"NSC791134","","","","","","","","","","","","","","","","","","","","NSC791134","","CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CCCOC(=O)NCCCl","BHRXBJFIBZONES-IBGZPJMESA-N","45487226",NA,"PDBC50334","791134","Present"
-"NSC791143","","","","","","","","","","","","","","","","","","","","NSC791143","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CNC5=CC=CC=C54","XEIMKDVBGIGNDT-XUVHLHGVSA-N","155816424",NA,"PDBC50335","791143","Present"
-"NSC791144","","","","","","","","","","","","","","","","","","","","NSC791144","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CN(C5=CC=CC=C54)C","YXUCGRIKEPQUEQ-AXLZOJPWSA-N","155807124",NA,"PDBC50336","791144","Present"
-"NSC791145","","","","","","","","","","","","","","","","","","","","NSC791145","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C=CC4=CNC5=CC=CC=C54","SWCKSLZJWHNNPE-INJOPXNBSA-N","155805748",NA,"PDBC50337","791145","Present"
-"NSC791146","","","","","","","","","","","","","","","","","","","","NSC791146","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=C(N=CC=C4)N","AWYWGXYMNUPXMT-FHQLBTTNSA-N","155815367",NA,"PDBC50338","791146","Present"
-"NSC791147","","","","","","","","","","","","","","","","","","","","NSC791147","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=CC=CC=C5O4","XQDTZAGSRSDDKR-SSZMZQGMSA-N","155807364",NA,"PDBC50339","791147","Present"
-"NSC791151","","","","","","","","","","","","","","","","","","","","NSC791151","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(O4)SCC(=O)NC5=CC=C(C=C5)C(=O)C","FBROHXDBJWDRFA-UHFFFAOYSA-N","155805524",NA,"PDBC50340","791151","Present"
-"NSC791152","","","","","","","","","","","","","","","","","","","","NSC791152","","CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC","VSANCYJRRXYRRQ-UHFFFAOYSA-N","155813359",NA,"PDBC50341","791152","Present"
-"NSC791155","","","","","","","","","","","","","","","","","","","","NSC791155","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC","DQOUUUJSRWVIAX-SFQUDFHCSA-N","155816669",NA,"PDBC50342","791155","Present"
-"NSC791156","","","","","","","","","","","","","","","","","","","","NSC791156","","COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC","MURFAKSGEGPQJS-YBFXNURJSA-N","155807531",NA,"PDBC50343","791156","Present"
-"NSC791204","","","","","","","","","","","","","","","","","","","","NSC791204","","B(OC(=CC(=O)C=CC1=CC(=C(C=C1)OC)OC)C=CC2=CC(=C(C=C2)OC)OC)(F)F","UZTIGZPRNGJKDS-LYINWTKYSA-N","155813614",NA,"PDBC50344","791204","Present"
-"NSC791210","","","","","","","","","","","","","","","","","","","","NSC791210","","CC(=CCCC(=CCC1=C(C=C(C=C1O)C(=O)NC2=CC3=C(C(=C2)OC)OC4(CCC(C(C4C3)(C)C)O)C)O)C)C","ZRKYKLKOZFSVSI-XNMGKTSESA-N","137640528",NA,"PDBC50345","791210","Present"
-"NSC791211","","","","","","","","","","","","","","","","","","","","NSC791211","","CC(=CCCC(=CCC1=C(C=C(C=C1O)NC(=O)C2=CC3=C(C(=C2)OC)OC4(CCC(C(C4C3)(C)C)O)C)O)C)C","FXJXSSSNEZYQFB-XNMGKTSESA-N","137656579",NA,"PDBC50346","791211","Present"
-"NSC791228","","","","","","","","","","","","","","","","","","","","NSC791228","","CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCCC(=O)SCCCN(CCCOC6=C(C=C(C=C6)Cl)Cl)CC#C)(C)C)CCC3)Cl)CCCCCC(=O)[O-])C","MXCWAVCQBATDBM-UHFFFAOYSA-N","155805563",NA,"PDBC50347","791228","Present"
-"NSC791267","","","","","","","","","","","","","","","","","","","","NSC791267","","CC1C=CC(=CC2C=CC(CC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)NC(=O)C)C","JXYBYMYHURFRKT-LBJPWWINSA-N","155817200",NA,"PDBC50348","791267","Present"
-"NSC791268","","","","","","","","","","","","","","","","","","","","NSC791268","","CC1C=CC(=CC2C=CC(CC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)NC(=O)CCCCCC#C)C","AFXUTVVLWGGSAT-HRYBKVMZSA-N","155808641",NA,"PDBC50349","791268","Present"
-"NSC791345","","","","","","","","","","","","","","","","","","","","NSC791345","","C1=CC(=C(C=C1Cl)C(=O)NC2=NC=C(N=C2)C(F)(F)F)O","GOSNEJFMQOZLHX-UHFFFAOYSA-N","121352729",NA,"PDBC50350","791345","Present"
-"NSC791452","","","","","","","","","","","","","","","","","","","","NSC791452","","CCCCN1CCCCC1C(=O)NC(C(C)C)C(=O)N(C)C(CC(C2=NC(=CS2)C(=O)NC3CCC(CC3)C(=O)OC)OC(=O)C)C(C)C","REHSRFGOLPEDNZ-RYQGSQLTSA-N","122521433",NA,"PDBC50351","791452","Present"
-"NSC791456","","","","","","","","","","","","","","","","","","","","NSC791456","","CC1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)OC","BAUNRFNHUXJPJD-ZFABGWHFSA-N","142601564",NA,"PDBC50352","791456","Present"
-"NSC791458","","","","","","","","","","","","","","","","","","","","NSC791458","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","WSZKKDJOBOVUMR-KIJOVSPPSA-N","155814192",NA,"PDBC50353","791458","Present"
-"NSC791459","","","","","","","","","","","","","","","","","","","","NSC791459","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CCC(=O)OC)CC2=CC=CC=C2)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","BQBLFJCGWLKFSX-PTXWAVMNSA-N","142601543",NA,"PDBC50354","791459","Present"
-"NSC791460","","","","","","","","","","","","","","","","","","","","NSC791460","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C(F)(F)F)C(F)(F)F)NC(=O)C3CCCCN3C","UVQLQSAWLGBINX-MYGWUIGISA-N","122521717",NA,"PDBC50355","791460","Present"
-"NSC791465","","","","","","","","","","","","","","","","","","","","NSC791465","","CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)N=C4CCCCCC4=C3)N","QXEGKIKGMNSJTO-UHFFFAOYSA-N","127028334",NA,"PDBC50356","791465","Present"
-"NSC791468","","","","","","","","","","","","","","","","","","","","NSC791468","","C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC5=CC=CC=C54","VYZQOPXMNOVICT-UHFFFAOYSA-N","1025256",NA,"PDBC50357","791468","Present"
-"NSC791469","","","","","","","","","","","","","","","","","","","","NSC791469","","CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)N=C4CCCCCCC4=C3)N","YNBSESFXKAMSDW-UHFFFAOYSA-N","155808989",NA,"PDBC50358","791469","Present"
-"NSC791470","","","","","","","","","","","","","","","","","","","","NSC791470","","C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC5=CC=CC=C54)N","FEZUVSWFIDFZBX-UHFFFAOYSA-N","23888893",NA,"PDBC50359","791470","Present"
-"NSC791511","","","","","","","","","","","","","","","","","","","","NSC791511","","CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N)C","MEQDNVDLPCVXFN-UHFFFAOYSA-N","49965881",NA,"PDBC50360","791511","Present"
-"NSC791513","","","","","","","","","","","","","","","","","","","","NSC791513","","CC1=C(C=CC=C1Br)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N","QLPJEBSCSKRBMP-UHFFFAOYSA-N","155807213",NA,"PDBC50361","791513","Present"
-"NSC791528","","","","","","","","","","","","","","","","","","","","NSC791528","","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)CCC(=O)OC5CCC6C5(CCC7C6CCC8C7(CCC(=O)C8)C)C)(C(=O)OC)O)N(C9=C4C=CC(=C9)OC)C","KWEHKHGHJCPQFT-SIAREXLISA-N","155808697",NA,"PDBC50362","791528","Present"
-"NSC791529","","","","","","","","","","","","","","","","","","","","NSC791529","","CN1CCC(=CC1)C2=CC(=CC(=C2)NC(=O)NC3=CC(=C(C=C3)OC4=CC(=NC=C4)NC(=O)C5CC5)F)C(F)(F)F","PYEMJSXCJKFZTH-UHFFFAOYSA-N","155815170",NA,"PDBC50363","791529","Present"
-"NSC791538","","","","","","","","","","","","","","","","","","","","NSC791538","","CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CN=C(C=C4)OCCCC5CCCCN5)F","BWEANHJCCGDBHD-UHFFFAOYSA-N","155805938",NA,"PDBC50364","791538","Present"
-"NSC791561","","","","","","","","","","","","","","","","","","","","NSC791561","","CC1=CC(=CC(=C1OC)C)C(=NO)C2=CC(=C(C=C2)OC)O","USBUWLOXLIOPSG-FBMGVBCBSA-N","155805836",NA,"PDBC50365","791561","Present"
-"NSC791577","","","","","","","","","","","","","","","","","","","","NSC791577","","C1CC(=CC2=CC(=CC=C2)Cl)C(=O)N(C1)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","AAQDSSIDTDOWPD-RCCKNPSSSA-N","141437014",NA,"PDBC50366","791577","Present"
-"NSC791579","","","","","","","","","","","","","","","","","","","","NSC791579","","CC1=CC(=NN1)NC2=NC(=NN3C2=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)N","FWJQLBLNLGDLIU-UHFFFAOYSA-N","153528580",NA,"PDBC50367","791579","Present"
-"NSC791580","","","","","","","","","","","","","","","","","","","","NSC791580","","C1COCCN1C2=NC(=NN3C2=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","GOTVHOSEVBCCCT-UHFFFAOYSA-N","153528601",NA,"PDBC50368","791580","Present"
-"NSC791616","","","","","","","","","","","","","","","","","","","","NSC791616","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=C(C=C4)Cl","CNEGWIHBHFFSMP-GIDUJCDVSA-N","155809053",NA,"PDBC50369","791616","Present"
-"NSC791618","","","","","","","","","","","","","","","","","","","","NSC791618","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC(=C(C(=C4)OC)OC)OC","MOEOJMIXDVMXSR-NTEUORMPSA-N","155808898",NA,"PDBC50370","791618","Present"
-"NSC791638","","","","","","","","","","","","","","","","","","","","NSC791638","","CN1C2=C(C3=C(C1=O)C=C(C=C3)C4=CC=NN4)C(=O)C5=CC=CC=C52","RVODSTMZVPRWCI-UHFFFAOYSA-N","155813626",NA,"PDBC50371","791638","Present"
-"NSC791639","","","","","","","","","","","","","","","","","","","","NSC791639","","CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)C4=CC=NN4)C(=O)C5=CC=CC=C52","VVFAQSRAGKVGKI-UHFFFAOYSA-N","155810315",NA,"PDBC50372","791639","Present"
-"NSC791765","","","","","","","","","","","","","","","","","","","","NSC791765","","C1=CC2=C(C=C1F)N=C([Se]2)C3=CC(=C(C(=C3)Br)N)F","WVVFLWSSDIEBLB-UHFFFAOYSA-N","140870782",NA,"PDBC50373","791765","Present"
-"NSC791771","","","","","","","","","","","","","","","","","","","","NSC791771","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","MXKJGVXUGDTAAP-ISXGSWJYSA-N","155806014",NA,"PDBC50374","791771","Present"
-"NSC791772","","","","","","","","","","","","","","","","","","","","NSC791772","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCCCCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","SRFFYBJFKYINMQ-OQYRRNKCSA-N","146878718",NA,"PDBC50375","791772","Present"
-"NSC791773","","","","","","","","","","","","","","","","","","","","NSC791773","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCCCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","ZUPGOFHWJNBDGO-DNJXBIPXSA-N","155807470",NA,"PDBC50376","791773","Present"
-"NSC791774","","","","","","","","","","","","","","","","","","","","NSC791774","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","URGGRNDFKNKASV-XCGZZUKFSA-N","155816530",NA,"PDBC50377","791774","Present"
-"NSC791775","","","","","","","","","","","","","","","","","","","","NSC791775","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCCCCCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","FSLKEEHAEWTEQE-MSRIHQKWSA-N","155814968",NA,"PDBC50378","791775","Present"
-"NSC791776","","","","","","","","","","","","","","","","","","","","NSC791776","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","ZEIYMNAKPIZFOB-MYZIRJGNSA-N","155813811",NA,"PDBC50379","791776","Present"
-"NSC791789","","","","","","","","","","","","","","","","","","","","NSC791789","","CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(CC4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCS)C)C)OC)(NC(=O)O2)O","CPWQWGDOHLEHPO-HVGPQAHESA-N","155805777",NA,"PDBC50380","791789","Present"
-"NSC791790","","","","","","","","","","","","","","","","","","","","NSC791790","","COC1=C(C(=C2C(=C1)CC(N2)C(=O)N3CC(C4=C5C=C(NC5=C(C=C43)O)C(=O)OC)CCl)OC)OC","VGTZCVRFUUIIEA-UHFFFAOYSA-N","155812050",NA,"PDBC50381","791790","Present"
-"NSC791791","","","","","","","","","","","","","","","","","","","","NSC791791","","CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CN=C(S3)C)C","WOSADTSUTMXILI-KKQRBIROSA-N","92043097",NA,"PDBC50382","791791","Present"
-"NSC791840","","","","","","","","","","","","","","","","","","","","NSC791840","","CC(=NO)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC(=NC4=C3C=C(C=C4)OC)C5=CC=C(C=C5)Cl","WEUKJMMPWCRREA-MJXLXAJKSA-N","155807188",NA,"PDBC50383","791840","Present"
-"NSC791945","","","","","","","","","","","","","","","","","","","","NSC791945","","CC(C1=CC2=CC=CC=C2C=C1)C3=CC(=C(C(=C3)OC)OC)OC","WYEAFSSATJAOSD-CQSZACIVSA-N","51349915",NA,"PDBC50384","791945","Present"
-"NSC791947","","","","","","","","","","","","","","","","","","","","NSC791947","","CC(C1=CC2=C(C=C1)N(C=C2)C)C3=CC(=C(C(=C3)OC)OC)OC","KSMCRSWQQZCSAS-UHFFFAOYSA-N","52914800",NA,"PDBC50385","791947","Present"
-"NSC792769","","","","","","","","","","","","","","","","","","","","NSC792769","","CCOC(=O)C1=C2C=CC(=NN2C(=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C","AMANOTBPFCKQNK-UHFFFAOYSA-N","155807435",NA,"PDBC50386","792769","Present"
-"NSC792770","","","","","","","","","","","","","","","","","","","","NSC792770","","CCOC(=O)C1=C2C=CC(=NN2C(=C1)C(=O)C3=CC(=CC(=C3)OC)OC)C","RIJOZLXGPGFVOT-UHFFFAOYSA-N","155813297",NA,"PDBC50387","792770","Present"
-"NSC792773","","","","","","","","","","","","","","","","","","","","NSC792773","","CCOC(=O)C1=C2C3=CC=CC=C3C=NN2C(=C1)C(=O)C4=CC(=CC(=C4)OC)OC","SJDDSPJOSVKEJK-UHFFFAOYSA-N","155811909",NA,"PDBC50388","792773","Present"
-"NSC792783","","","","","","","","","","","","","","","","","","","","NSC792783","","CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC=C(C=C3)Cl)C4=CC=[N+](C=C4)CC(=O)C5=CC=C(C=C5)OC","PCNTUYGDZJHGCL-UHFFFAOYSA-N","155809421",NA,"PDBC50389","792783","Present"
-"NSC792784","","","","","","","","","","","","","","","","","","","","NSC792784","","CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=[N+](C=C4)CC(=O)C5=CC(=C(C(=C5)OC)OC)OC","NNQDPOHEQPEOJV-UHFFFAOYSA-N","155814127",NA,"PDBC50390","792784","Present"
-"NSC792786","","","","","","","","","","","","","","","","","","","","NSC792786","","CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC(=C(C=C4)OC)OC)C5=C(C=CC=N5)C=C3","LSIPHIFJYRVOCD-UHFFFAOYSA-N","155816663",NA,"PDBC50391","792786","Present"
-"NSC792790","","","","","","","","","","","","","","","","","","","","NSC792790","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NCCNS(=O)(=O)C5=CC=C(C=C5)F)Cl","PNLWCVUNBPKMIA-UHFFFAOYSA-N","155806309",NA,"PDBC50392","792790","Present"
-"NSC792792","","","","","","","","","","","","","","","","","","","","NSC792792","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NCCCNC(=O)C5=CC=CC=C5)Cl","RRHVWDSZITWFRL-UHFFFAOYSA-N","155816572",NA,"PDBC50393","792792","Present"
-"NSC792793","","","","","","","","","","","","","","","","","","","","NSC792793","","C1=CC(=CC=C1C(=O)NCCNC(=O)NC2=CC=C(C=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5)F","NBFOJVFMNHFLTE-UHFFFAOYSA-N","155810198",NA,"PDBC50394","792793","Present"
-"NSC792794","","","","","","","","","","","","","","","","","","","","NSC792794","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)CCN5CCN(CC5)C6=CC=CC=C6)Cl","AHMXOBUGVQCJHF-UHFFFAOYSA-N","155812012",NA,"PDBC50395","792794","Present"
-"NSC792796","","","","","","","","","","","","","","","","","","","","NSC792796","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NCCNS(=O)(=O)C5=CC=C(C=C5)Cl)Cl","CKWWFQKFBMGFTC-UHFFFAOYSA-N","155805717",NA,"PDBC50396","792796","Present"
-"NSC792797","","","","","","","","","","","","","","","","","","","","NSC792797","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NCCNC(=O)C5=CC=CC=C5)Cl","LVWJERHKDPIAII-UHFFFAOYSA-N","155807381",NA,"PDBC50397","792797","Present"
-"NSC792798","","","","","","","","","","","","","","","","","","","","NSC792798","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)CCN5CCN(CC5)CC6=CC=CC=C6)Cl","MIJSANCLMSBLAB-UHFFFAOYSA-N","155807449",NA,"PDBC50398","792798","Present"
-"NSC792799","","","","","","","","","","","","","","","","","","","","NSC792799","","COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)CCNC5=CC=C(C=C5)N6CCOCC6)Cl","UXNRFSBMPPNIMD-UHFFFAOYSA-N","155816513",NA,"PDBC50399","792799","Present"
-"NSC792802","","","","","","","","","","","","","","","","","","","","NSC792802","","CCN1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)OC)C5=CC=NC=C5","KYADEHTYBROPGP-UHFFFAOYSA-N","155816333",NA,"PDBC50400","792802","Present"
-"NSC792813","","","","","","","","","","","","","","","","","","","","NSC792813","","C1CC1C2=NC3=CC=CC=C3C(=C2C=CC=CC(=O)C4=CC=CS4)C5=CC=C(C=C5)F","AKANEUGIJVHIRJ-TUXQVTDXSA-N","155811795",NA,"PDBC50401","792813","Present"
-"NSC792850","","","","","","","","","","","","","","","","","","","","NSC792850","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)OC","ZQPBSOJDEZEMCA-NTUHNPAUSA-N","5755161",NA,"PDBC50402","792850","Present"
-"NSC792851","","","","","","","","","","","","","","","","","","","","NSC792851","","CC(=O)C=CC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl","GDPAWDHQMVETLE-NSCUHMNNSA-N","82184714",NA,"PDBC50403","792851","Present"
-"NSC792852","","","","","","","","","","","","","","","","","","","","NSC792852","","COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(F)(F)F)OC)OC","UOWANSQGNMIVOY-JXMROGBWSA-N","25685798",NA,"PDBC50404","792852","Present"
-"NSC792853","","","","","","","","","","","","","","","","","","","","NSC792853","","CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=C3COC4=CC=CC=C4C3=O","WXSWGVIMSNCMHB-LTGZKZEYSA-N","92970773",NA,"PDBC50405","792853","Present"
-"NSC792854","","","","","","","","","","","","","","","","","","","","NSC792854","","CC(=O)C=CC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(C)(C)C","YEFAICMCPIANIW-AATRIKPKSA-N","155816923",NA,"PDBC50406","792854","Present"
-"NSC792856","","","","","","","","","","","","","","","","","","","","NSC792856","","CC(=O)C=CC1=CC=C(C=C1)N(CCO)CC2=CC=C(C=C2)C(C)(C)C","ZCNNYMWNUPPVEO-AATRIKPKSA-N","155805940",NA,"PDBC50407","792856","Present"
-"NSC792857","","","","","","","","","","","","","","","","","","","","NSC792857","","CC(=O)C=CC1=CC=C(C=C1)N(C)CC2=CC=C(C=C2)C(C)(C)C","VWHHNWJKEUZHDV-VOTSOKGWSA-N","155811871",NA,"PDBC50408","792857","Present"
-"NSC792858","","","","","","","","","","","","","","","","","","","","NSC792858","","C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl","SANQMGJQDWWTDE-NTEUORMPSA-N","8829221",NA,"PDBC50409","792858","Present"
-"NSC792974","","","","","","","","","","","","","","","","","","","","NSC792974","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCC4=CNC5=CC=CC=C54","JYHYVLBXGLGGEN-QKFLWJKASA-N","155808551",NA,"PDBC50410","792974","Present"
-"NSC793106","","","","","","","","","","","","","","","","","","","","NSC793106","","CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC","IEWDHJUPDJSHBO-UHFFFAOYSA-N","27505776",NA,"PDBC50411","793106","Present"
-"NSC793122","","","","","","","","","","","","","","","","","","","","NSC793122","","COC1=CC(=C(C=C1)OC)NCC(=O)N2C(=CC(=N2)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC","SZNQLIWBERUBRJ-OZDSWYPASA-N","155813392",NA,"PDBC50412","793122","Present"
-"NSC793129","","","","","","","","","","","","","","","","","","","","NSC793129","","CC1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)O","UNVBOEDTQWMUAB-AHPWQHIXSA-N","142601606",NA,"PDBC50413","793129","Present"
-"NSC793130","","","","","","","","","","","","","","","","","","","","NSC793130","","CC1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)OC","KKZKYNONYRVHKX-AHPWQHIXSA-N","142601549",NA,"PDBC50414","793130","Present"
-"NSC793131","","","","","","","","","","","","","","","","","","","","NSC793131","","CC1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)O","WANZWKBJSGDOGK-SPJBSYPASA-N","155808736",NA,"PDBC50415","793131","Present"
-"NSC793132","","","","","","","","","","","","","","","","","","","","NSC793132","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C)NC(=O)C3CCCCN3C","SFXZKDJFYWHWTC-PLACZKGKSA-N","155805659",NA,"PDBC50416","793132","Present"
-"NSC793136","","","","","","","","","","","","","","","","","","","","NSC793136","","CCCCC(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OCC)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","CQQHTMKQGHOCOH-GZZYFNPRSA-N","155808561",NA,"PDBC50417","793136","Present"
-"NSC793137","","","","","","","","","","","","","","","","","","","","NSC793137","","CCCCC(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OCC)OC(=O)C)C(C)C)NC(=O)C3CCCN3C","KPIARVYSTCFNSP-VCZAABBESA-N","155805538",NA,"PDBC50418","793137","Present"
-"NSC793138","","","","","","","","","","","","","","","","","","","","NSC793138","","CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC(C(C)C)N(C)C(=O)C(CCC(C)C)NC(=O)C3CCCCN3C)OC(=O)C","FJPDKSRWESDPSA-YBMWWVFYSA-N","155810160",NA,"PDBC50419","793138","Present"
-"NSC793144","","","","","","","","","","","","","","","","","","","","NSC793144","","CC1C=CC(=CC2C=CC(CC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)NS(=O)(=O)C)C","XMPMIRDIIGGBON-HIKVSJAYSA-N","155812024",NA,"PDBC50420","793144","Present"
-"NSC793145","","","","","","","","","","","","","","","","","","","","NSC793145","","CC1C=CC(=CC2C=CC(CC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)NC)C","ZNQCEWTVWZGCCE-HIKVSJAYSA-N","155813772",NA,"PDBC50421","793145","Present"
-"NSC793146","","","","","","","","","","","","","","","","","","","","NSC793146","","CC1C=CC(=CC2C=CC(CC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)NC(=O)OC)C","IQTCJBYCRUBFPU-WIUKDWKASA-N","155808560",NA,"PDBC50422","793146","Present"
-"NSC793147","","","","","","","","","","","","","","","","","","","","NSC793147","","CC1C=CC(=CC2C=CCCC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C(C)C)O)C)C)C","OFWXCFKIJFWMNG-ORRDCMSYSA-N","155805825",NA,"PDBC50423","793147","Present"
-"NSC793176","","","","","","","","","","","","","","","","","","","","NSC793176","","B(OC(=CC(=O)C=CC1=C(C(=C(C=C1)OC)OC)OC)C=CC2=C(C(=C(C=C2)OC)OC)OC)(F)F","WWFUXSZQCBBMNC-WBOAZNIYSA-N","155808964",NA,"PDBC50424","793176","Present"
-"NSC793309","","","","","","","","","","","","","","","","","","","","NSC793309","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","YFRGZGAVCBRCAL-LXBVKJRYSA-N","121390679",NA,"PDBC50425","793309","Present"
-"NSC793311","","","","","","","","","","","","","","","","","","","","NSC793311","","CC12CCC=C(CCC3C(C(=O)OC3C1O2)CN(C)C)COC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","BFTVDRNABPGGAZ-GJDGRRQYSA-N","155814964",NA,"PDBC50426","793311","Present"
-"NSC793316","","","","","","","","","","","","","","","","","","","","NSC793316","","CC12CCC=C(CCC3C(C(=O)OC3C1O2)CNCCOCCOCC(=O)NC4=C(C(=C(C=C4)OC)C(=O)N)O)COC(=O)OCC5=CCCC6(C(O6)C7C(CC5)C(C(=O)O7)CN(C)C)C","ZQSCXXCTWIZMDN-GMRRARFTSA-N","155811786",NA,"PDBC50427","793316","Present"
-"NSC793325","","","","","","","","","","","","","","","","","","","","NSC793325","","COC1=CC=C(C=C1)N2C(=NN=C2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)NC(=O)CCCl","IYSLAGWPLFDPMY-UHFFFAOYSA-N","155812057",NA,"PDBC50428","793325","Present"
-"NSC793589","","","","","","","","","","","","","","","","","","","","NSC793589","","CCOC(=O)C1=C(N=C2C(=C1N)C(=CC3=CC=C(C=C3)OC)C(=O)N2CC4=CC=C(C=C4)F)C","KODDBDYGKNPKQX-MOSHPQCFSA-N","155816712",NA,"PDBC50429","793589","Present"
-"NSC793593","","","","","","","","","","","","","","","","","","","","NSC793593","","CC1=CC(=NC(=N1)N)N2CCCC(C2)CCC3=CC(=CC=C3)OC","GYJXZDRHVLPNDT-UHFFFAOYSA-N","56883153",NA,"PDBC50430","793593","Present"
-"NSC793595","","","","","","","","","","","","","","","","","","","","NSC793595","","CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)CCC3=CC=C(O3)C","FLCSWZFQFSWVLK-UHFFFAOYSA-N","1095929",NA,"PDBC50431","793595","Present"
-"NSC793639","","","","","","","","","","","","","","","","","","","","NSC793639","","COC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)F","OISRGGAGDCVQQV-UHFFFAOYSA-N","78738025",NA,"PDBC50432","793639","Present"
-"NSC793640","","","","","","","","","","","","","","","","","","","","NSC793640","","COC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)F)F","HWVPIGBUNBADTM-UHFFFAOYSA-N","155813536",NA,"PDBC50433","793640","Present"
-"NSC793641","","","","","","","","","","","","","","","","","","","","NSC793641","","CC(=O)N(C1=C(C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)F)C#N)C(=O)C","VBPCNBIEGCLCLL-UHFFFAOYSA-N","155814999",NA,"PDBC50434","793641","Present"
-"NSC793642","","","","","","","","","","","","","","","","","","","","NSC793642","","CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)F)F)C=CC(=C2)OC)N","UXFYYIUGQNYPFN-UHFFFAOYSA-N","155815337",NA,"PDBC50435","793642","Present"
-"NSC793647","","","","","","","","","","","","","","","","","","","","NSC793647","","CC1=NC=CC2=C1N(C3=C2C=CC(=C3)OCC4=CN(N=N4)C5=CC=C(C=C5)Br)CCCC6=CC=CC=C6","YKYGAWPFXLCCLJ-UHFFFAOYSA-N","155811882",NA,"PDBC50436","793647","Present"
-"NSC793694","","","","","","","","","","","","","","","","","","","","NSC793694","","C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(F)(F)F","RSOXZOFDCJMRMK-IOSLPCCCSA-N","118636125",NA,"PDBC50437","793694","Present"
-"NSC793707","","","","","","","","","","","","","","","","","","","","NSC793707","","CCC1=CC=CC(=C1NC(=O)C2=C(C3=C(S2)N=C4CCCCCC4=C3)N)C","TUPRCUIUHAFHJG-UHFFFAOYSA-N","155816668",NA,"PDBC50438","793707","Present"
-"NSC793787","","","","","","","","","","","","","","","","","","","","NSC793787","","CC(C)(CN=C(N)NC1=NC=C(C=C1)C(=O)OC)COC2=CC=C(C=C2)C(F)(F)F","VEAYXOXCGRXRHN-UHFFFAOYSA-N","155813361",NA,"PDBC50439","793787","Present"
-"NSC793789","","","","","","","","","","","","","","","","","","","","NSC793789","","CC(C)(CCN=C(N)NC1=CC=CC=N1)C2=CC=C(C=C2)C(F)(F)F","VDMCKISEBKIKBO-UHFFFAOYSA-N","155813688",NA,"PDBC50440","793789","Present"
-"NSC793836","","","","","","","","","","","","","","","","","","","","NSC793836","","COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CC(=C(C(=C4)OC)OC)OC","FWDRRWVJWODFIZ-VGOFMYFVSA-N","155815238",NA,"PDBC50441","793836","Present"
-"NSC793903","","","","","","","","","","","","","","","","","","","","NSC793903","","","","",NA,"PDBC50442","793903","Present"
-"NSC793990","","","","","","","","","","","","","","","","","","","","NSC793990","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)OC)CCCN6CCCCC6","CEADUIRXXQCUMP-UHFFFAOYSA-N","155817214",NA,"PDBC50443","793990","Present"
-"NSC793991","","","","","","","","","","","","","","","","","","","","NSC793991","","COC1=CC2=C(C=C1)N(C=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5)CCCN6CCCCC6","RKMDAEACAHIJFZ-UHFFFAOYSA-N","155807326",NA,"PDBC50444","793991","Present"
-"NSC793992","","","","","","","","","","","","","","","","","","","","NSC793992","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)Br)CCCN6CCCCC6","MRDVAUHOQINPGB-UHFFFAOYSA-N","155805565",NA,"PDBC50445","793992","Present"
-"NSC793993","","","","","","","","","","","","","","","","","","","","NSC793993","","C1CCN(CC1)CCCN2C=C(C3=C2C=CC(=C3)Br)C4=NC(=CS4)C5=CNC6=C5C=CC=N6","DMPLCIPNUDMNJW-UHFFFAOYSA-N","155812551",NA,"PDBC50446","793993","Present"
-"NSC794012","","","","","","","","","","","","","","","","","","","","NSC794012","","C1CCN(CC1)CCCCN2C=C(C3=C2C=CC(=C3)F)C4=NC(=CS4)C5=CNC6=C5C=CC=N6","WWRYRDCQESULDG-UHFFFAOYSA-N","155813262",NA,"PDBC50447","794012","Present"
-"NSC794013","","","","","","","","","","","","","","","","","","","","NSC794013","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)F)CCCCN6CCCCC6","LORPOIQDDOTIJR-UHFFFAOYSA-N","155815191",NA,"PDBC50448","794013","Present"
-"NSC794014","","","","","","","","","","","","","","","","","","","","NSC794014","","COC1=CC2=C(C=C1)N(C=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5)CCCCN6CCCCC6","BKRKIEYBPZGVGT-UHFFFAOYSA-N","155813802",NA,"PDBC50449","794014","Present"
-"NSC794015","","","","","","","","","","","","","","","","","","","","NSC794015","","CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)OC)CCCCN6CCCCC6","BWFQLBKGNLAGBU-UHFFFAOYSA-N","155816453",NA,"PDBC50450","794015","Present"
-"NSC794093","","","","","","","","","","","","","","","","","","","","NSC794093","","CCCCCC1CC=C2C(CC=CCCCC(=O)O1)C=C(C2=O)Cl","ZOWNCUQNSPIHFR-OXBNUMMXSA-N","130467655",NA,"PDBC50451","794093","Present"
-"NSC794094","","","","","","","","","","","","","","","","","","","","NSC794094","","CCCCCC1CC=C2C(CC=CCCCC(=O)OC(CC=C3C(CC=CCCCC(=O)O1)C=CC3=O)CCCCC)C=CC2=O","PYXBWFFJLLDSNW-KHGVLYBHSA-N","130467373",NA,"PDBC50452","794094","Present"
-"NSC794095","","","","","","","","","","","","","","","","","","","","NSC794095","","CCCCCC1CC=C2C(CC=CCCCC(=O)OC(CC=C3C(CC=CCCCC(=O)O1)C=C(C3=O)Cl)CCCCC)C=C(C2=O)Cl","MGJBSCJJTZLOAQ-NZGBFQAGSA-N","130467314",NA,"PDBC50453","794095","Present"
-"NSC794096","","","","","","","","","","","","","","","","","","","","NSC794096","","C1CC=CCC2C=C(C(=O)C2=CCC(OC(=O)CCCC=CCC3C=C(C(=O)C3=CCC(OC(=O)C1)CCCCC(F)(F)F)Cl)CCCCC(F)(F)F)Cl","OTUYFBBOIIBLOJ-GRWMVQBQSA-N","130467730",NA,"PDBC50454","794096","Present"
-"NSC794097","","","","","","","","","","","","","","","","","","","","NSC794097","","CCCCCC1CC=C2C(CC=CCCCC(=O)OC(CC=C3C(CC=CCCCC(=O)OC(CC=C4C(CC=CCCCC(=O)O1)C=CC4=O)CCCCC)C=CC3=O)CCCCC)C=CC2=O","ULDYQZNYZMFHLA-QXYUJABFSA-N","155810493",NA,"PDBC50455","794097","Present"
-"NSC794100","","","","","","","","","","","","","","","","","","","","NSC794100","","CCCCCC1CC=C2C(CC=CCCCC(=O)OC(CC=C3C(CC=CCCCC(=O)OC(CC=C4C(CC=CCCCC(=O)OC(CC=C5C(CC=CCCCC(=O)O1)C=CC5=O)CCCCC)C=CC4=O)CC=CCC)C=CC3=O)CCCCC)C=CC2=O","ZAFVERZSRAMUSK-OKNDVWSWSA-N","155808543",NA,"PDBC50456","794100","Present"
-"NSC794112","","","","","","","","","","","","","","","","","","","","NSC794112","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CNC5=CC=CC=C54","VOSYYVVFRFJSNC-CFMNMBJRSA-N","155811000",NA,"PDBC50457","794112","Present"
-"NSC794113","","","","","","","","","","","","","","","","","","","","NSC794113","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CNC5=CC=CC=C54","LDVGEZQCQJMNTN-GNFZPIPTSA-N","155810104",NA,"PDBC50458","794113","Present"
-"NSC794114","","","","","","","","","","","","","","","","","","","","NSC794114","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC5=CC=CC=C5N4","FUICCADLWFHAGH-KEOQQOJISA-N","155808719",NA,"PDBC50459","794114","Present"
-"NSC794118","","","","","","","","","","","","","","","","","","","","NSC794118","","COC1=CC=C(C=C1)C2C(=C(OC3=C2SC4=C3C=CC=C4F)N)C#N","PPHPCQYTLGXZET-UHFFFAOYSA-N","155816387",NA,"PDBC50460","794118","Present"
-"NSC794120","","","","","","","","","","","","","","","","","","","","NSC794120","","C1=CC2=C(C(=C1)F)SC3=C2OC(=C(C3C4=CC=C(C=C4)Cl)C#N)N","BSZJIJSJYWJYFA-UHFFFAOYSA-N","155807343",NA,"PDBC50461","794120","Present"
-"NSC794151","","","","","","","","","","","","","","","","","","","","NSC794151","","CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)Cl","LOJKANYEWLGKIL-UHFFFAOYSA-N","137650622",NA,"PDBC50462","794151","Present"
-"NSC794152","","","","","","","","","","","","","","","","","","","","NSC794152","","CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCCCC5","YWCAYXKIZFFNLZ-UHFFFAOYSA-N","137657004",NA,"PDBC50463","794152","Present"
-"NSC794153","","","","","","","","","","","","","","","","","","","","NSC794153","","CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCOCC5","XFVUUWREWILVJQ-UHFFFAOYSA-N","137648565",NA,"PDBC50464","794153","Present"
-"NSC794154","","","","","","","","","","","","","","","","","","","","NSC794154","","CC1=CC(=NC(=N1)N2CCN(CC2)C)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CO5","WTQAYKWNODGGNP-UHFFFAOYSA-N","137638976",NA,"PDBC50465","794154","Present"
-"NSC794156","","","","","","","","","","","","","","","","","","","","NSC794156","","CCN1CCN(CC1)C2=NC(=CC(=N2)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CO5)C","TUYJQSQONAOENX-UHFFFAOYSA-N","137634613",NA,"PDBC50466","794156","Present"
-"NSC794157","","","","","","","","","","","","","","","","","","","","NSC794157","","CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)Cl","WVWNYZJSJHYWJG-UHFFFAOYSA-N","137657482",NA,"PDBC50467","794157","Present"
-"NSC794158","","","","","","","","","","","","","","","","","","","","NSC794158","","CC1=CC(=NC(=N1)Cl)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4","FSMYAKRWUSVIBM-UHFFFAOYSA-N","137655273",NA,"PDBC50468","794158","Present"
-"NSC794159","","","","","","","","","","","","","","","","","","","","NSC794159","","CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCN(CC5)C","YYSIVWOZIFYAHL-UHFFFAOYSA-N","137651581",NA,"PDBC50469","794159","Present"
-"NSC794160","","","","","","","","","","","","","","","","","","","","NSC794160","","CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCCC5","XJYKNFMSBUSDNQ-UHFFFAOYSA-N","137633177",NA,"PDBC50470","794160","Present"
-"NSC794161","","","","","","","","","","","","","","","","","","","","NSC794161","","CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCCCC5","DXVKTEICJNZTBW-UHFFFAOYSA-N","137654720",NA,"PDBC50471","794161","Present"
-"NSC794162","","","","","","","","","","","","","","","","","","","","NSC794162","","CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCOCC5","XOCWMPVKCKFKCN-UHFFFAOYSA-N","137646666",NA,"PDBC50472","794162","Present"
-"NSC794163","","","","","","","","","","","","","","","","","","","","NSC794163","","CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCCC5","NTCIUUUDLVGOBA-UHFFFAOYSA-N","155807261",NA,"PDBC50473","794163","Present"
-"NSC794164","","","","","","","","","","","","","","","","","","","","NSC794164","","CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCCCC5","AMFYJVASDYNJFY-UHFFFAOYSA-N","155808844",NA,"PDBC50474","794164","Present"
-"NSC794165","","","","","","","","","","","","","","","","","","","","NSC794165","","CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCSCC5","QHLUAOBDWCHLJN-UHFFFAOYSA-N","155809039",NA,"PDBC50475","794165","Present"
-"NSC794166","","","","","","","","","","","","","","","","","","","","NSC794166","","CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCN(CC5)C","IGKNQRVMPIMWLK-UHFFFAOYSA-N","155806293",NA,"PDBC50476","794166","Present"
-"NSC794167","","","","","","","","","","","","","","","","","","","","NSC794167","","CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCCCCC5","DRIQWGFGTFLPTO-UHFFFAOYSA-N","155816525",NA,"PDBC50477","794167","Present"
-"NSC794168","","","","","","","","","","","","","","","","","","","","NSC794168","","CC1=CC(=NC(=N1)N2CCCCCC2)NC3CCCC(C3)NC4=C5C=CC(=CC5=NC=C4)Cl","FCKCSOOSMSISPD-LEWJYISDSA-N","155811964",NA,"PDBC50478","794168","Present"
-"NSC794169","","","","","","","","","","","","","","","","","","","","NSC794169","","CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCOCC5","IQMVZPLDYCDUPW-RBUKOAKNSA-N","155812046",NA,"PDBC50479","794169","Present"
-"NSC794170","","","","","","","","","","","","","","","","","","","","NSC794170","","C1=CC=C2C(=C1)C(=NC(=N2)Cl)NCCNC3=C4C=CC(=CC4=NC=C3)Cl","STIRKWHXVOLJEK-UHFFFAOYSA-N","117827368",NA,"PDBC50480","794170","Present"
-"NSC794171","","","","","","","","","","","","","","","","","","","","NSC794171","","C1COCCN1C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","RFCOLSOQVPPWHV-UHFFFAOYSA-N","71735311",NA,"PDBC50481","794171","Present"
-"NSC794172","","","","","","","","","","","","","","","","","","","","NSC794172","","C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","NKZVOSLCRCKRIS-UHFFFAOYSA-N","117827473",NA,"PDBC50482","794172","Present"
-"NSC794173","","","","","","","","","","","","","","","","","","","","NSC794173","","CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","YJEILLVSXKAXRW-UHFFFAOYSA-N","71735315",NA,"PDBC50483","794173","Present"
-"NSC794176","","","","","","","","","","","","","","","","","","","","NSC794176","","CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCCNC4=C5C=CC(=CC5=NC=C4)Cl","OLYPWMLJYFAAEW-UHFFFAOYSA-N","155815036",NA,"PDBC50484","794176","Present"
-"NSC794177","","","","","","","","","","","","","","","","","","","","NSC794177","","CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCCNC4=C5C=CC(=CC5=NC=C4)Cl","ZVNZQYZUHNDMDC-UHFFFAOYSA-N","155813675",NA,"PDBC50485","794177","Present"
-"NSC794179","","","","","","","","","","","","","","","","","","","","NSC794179","","CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","FEBQBWXXMHMWST-UHFFFAOYSA-N","155809023",NA,"PDBC50486","794179","Present"
-"NSC794182","","","","","","","","","","","","","","","","","","","","NSC794182","","C1COCCN1C2=NC3=CC=CC=C3C(=N2)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","XRMDQIGHPSTSRL-UHFFFAOYSA-N","155815305",NA,"PDBC50487","794182","Present"
-"NSC794183","","","","","","","","","","","","","","","","","","","","NSC794183","","C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","MNLGTJJHDHJCQP-UHFFFAOYSA-N","155810471",NA,"PDBC50488","794183","Present"
-"NSC794184","","","","","","","","","","","","","","","","","","","","NSC794184","","COC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)N6CCOCC6","QUEYFJLMRVRVOI-UHFFFAOYSA-N","155805758",NA,"PDBC50489","794184","Present"
-"NSC794212","","","","","","","","","","","","","","","","","","","","NSC794212","","CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)SC","SGOXZLUDBWBVSP-UHFFFAOYSA-N","137641701",NA,"PDBC50490","794212","Present"
-"NSC794213","","","","","","","","","","","","","","","","","","","","NSC794213","","COC1=CC=C(C=C1)SC2C3=CC(=C(C=C3OC4=C2C(=C(C(=N4)N)C#N)N)OC)OC","RTQJTIWTZGISCW-UHFFFAOYSA-N","155805750",NA,"PDBC50491","794213","Present"
-"NSC794214","","","","","","","","","","","","","","","","","","","","NSC794214","","COC1=C(C=C2C(=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)SC)OC","XBGZWXSBPKZYMO-UHFFFAOYSA-N","155810793",NA,"PDBC50492","794214","Present"
-"NSC794218","","","","","","","","","","","","","","","","","","","","NSC794218","","CC1=CC2=C(C=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)OC","TYZIJXAWSKLBKE-UHFFFAOYSA-N","155808710",NA,"PDBC50493","794218","Present"
-"NSC794219","","","","","","","","","","","","","","","","","","","","NSC794219","","CC1=CC2=C(C=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)SC","WWTXRYLUUJYXSH-UHFFFAOYSA-N","155809178",NA,"PDBC50494","794219","Present"
-"NSC794481","","","","","","","","","","","","","","","","","","","","NSC794481","","CCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OCCN4CCCCC4","NCTRVVUXEHRJST-JJKYIXSRSA-N","155810373",NA,"PDBC50495","794481","Present"
-"NSC794482","","","","","","","","","","","","","","","","","","","","NSC794482","","CCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OCCN(CC)CC","OOLNTJUVVYXLNQ-QUPMIFSKSA-N","155810799",NA,"PDBC50496","794482","Present"
-"NSC794483","","","","","","","","","","","","","","","","","","","","NSC794483","","CCCCCC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCCC4","XKXAVCCPVPJGEF-ROMHNNFLSA-N","155807445",NA,"PDBC50497","794483","Present"
-"NSC794499","","","","","","","","","","","","","","","","","","","","NSC794499","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC(=C(C(=C4)OC)OC)OC","VHJORWJMXQMECE-SVEUIFQESA-N","118245680",NA,"PDBC50498","794499","Present"
-"NSC794500","","","","","","","","","","","","","","","","","","","","NSC794500","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC=C(C=C4)Br","MVSMKTWHTFYUJB-ICYKCNJTSA-N","118245681",NA,"PDBC50499","794500","Present"
-"NSC794502","","","","","","","","","","","","","","","","","","","","NSC794502","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC=CC=C4","OMOILUMFLNJVEY-MKPGHTHTSA-N","137651028",NA,"PDBC50500","794502","Present"
-"NSC794504","","","","","","","","","","","","","","","","","","","","NSC794504","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC=CC5=CC=CC=C54","OYWRSLSZAHNCAY-AKYDVEDYSA-N","118245685",NA,"PDBC50501","794504","Present"
-"NSC794505","","","","","","","","","","","","","","","","","","","","NSC794505","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=CC=CC=C5C=C4","GFILISQKSYOVOX-RRXAXXNZSA-N","118237375",NA,"PDBC50502","794505","Present"
-"NSC794506","","","","","","","","","","","","","","","","","","","","NSC794506","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC=C(C=C4)C#N","SSHPQCSKLJWWJH-RAZIKTDJSA-N","118245683",NA,"PDBC50503","794506","Present"
-"NSC794507","","","","","","","","","","","","","","","","","","","","NSC794507","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CN=C(C=C4)Cl","BNYKEZCBAUBBRH-DMGCQCMDSA-N","118245682",NA,"PDBC50504","794507","Present"
-"NSC794557","","","","","","","","","","","","","","","","","","","","NSC794557","","CCCCCN1N=CC(=N1)C2=C3C=C(C(=C(C3=CC(=C2O)O)O)C4=C(C5=CC(=C(C(=C5C=C4C)C6=NN(N=C6)CCCCC)O)O)O)C","CJTRVTYNJQVOAK-UHFFFAOYSA-N","155809112",NA,"PDBC50505","794557","Present"
-"NSC794568","","","","","","","","","","","","","","","","","","","","NSC794568","","C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)NC3=NC(=NC4=C3C5=C(N4)C=CC(=C5)O)N","CXDZYLLTVKDNIC-UHFFFAOYSA-N","155810757",NA,"PDBC50506","794568","Present"
-"NSC794584","","","","","","","","","","","","","","","","","","","","NSC794584","","CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)OC(=O)N(C)CCN(C)C(=O)OC(C)(C)C","IFSGKCQPKQDARU-YGOYIFOWSA-N","150540233",NA,"PDBC50507","794584","Present"
-"NSC794588","","","","","","","","","","","","","","","","","","","","NSC794588","","C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-])Cl","GALIWDLXCDWGRV-UHFFFAOYSA-N","1291043",NA,"PDBC50508","794588","Present"
-"NSC794596","","","","","","","","","","","","","","","","","","","","NSC794596","","COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C4=CC=CC=C43)NC(=O)NC5=CC(=C(C=C5)CN6CCOCC6)C(F)(F)F)OC","VUIQMETZHJGDMY-UHFFFAOYSA-N","137650407",NA,"PDBC50509","794596","Present"
-"NSC794620","","","","","","","","","","","","","","","","","","","","NSC794620","","C1=CC=C2C=C(C=CC2=C1)C=NNC(=O)CN3C4=CC=CC=C4C5=C3C=NC=C5","JNIXTYCBOKPQIN-WGARJPEWSA-N","155807459",NA,"PDBC50510","794620","Present"
-"NSC794630","","","","","","","","","","","","","","","","","","","","NSC794630","","CC(C)(C)OC(=O)N1CCN(CC1)CCN2C=C(C3=C2N=CN=C3Cl)C(F)(F)F","PCONGZKDECGIIM-UHFFFAOYSA-N","155813391",NA,"PDBC50511","794630","Present"
-"NSC794634","","","","","","","","","","","","","","","","","","","","NSC794634","","CC(C)(C)OC(=O)N1CC(C1)CN2C=C(C3=C2N=CN=C3Cl)C(F)(F)F","WSEFSBXMGHPSJE-UHFFFAOYSA-N","155815074",NA,"PDBC50512","794634","Present"
-"NSC794636","","","","","","","","","","","","","","","","","","","","NSC794636","","C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4CO)O","OYSBAJOPGAMMRR-UHFFFAOYSA-N","155807485",NA,"PDBC50513","794636","Present"
-"NSC794639","","","","","","","","","","","","","","","","","","","","NSC794639","","CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C=C(C=C4)OCC#N","XSGXXILLIVRHAH-FBHDLOMBSA-N","35494269",NA,"PDBC50514","794639","Present"
-"NSC794717","","","","","","","","","","","","","","","","","","","","NSC794717","","COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)CCl","VLJJXANATXDRIO-UHFFFAOYSA-N","11303989",NA,"PDBC50515","794717","Present"
-"NSC794718","","","","","","","","","","","","","","","","","","","","NSC794718","","COC1=C(C=C(C=C1)C(=S)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)CCl","NXRMORRCKSMDOD-UHFFFAOYSA-N","155805966",NA,"PDBC50516","794718","Present"
-"NSC794719","","","","","","","","","","","","","","","","","","","","NSC794719","","COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C(Cl)(Cl)Cl","LKAMZZTWTFALOT-UHFFFAOYSA-N","155806074",NA,"PDBC50517","794719","Present"
-"NSC794720","","","","","","","","","","","","","","","","","","","","NSC794720","","CC1=C(C=C(C=C1OC)C(=O)C2=CC(=C(C=C2)OC)OC(=O)CCl)OC","CTNGKMPMQOTMRL-UHFFFAOYSA-N","155815621",NA,"PDBC50518","794720","Present"
-"NSC794838","","","","","","","","","","","","","","","","","","","","NSC794838","","C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F","MWXAARMRUYEZBH-UHFFFAOYSA-N","155815096",NA,"PDBC50519","794838","Present"
-"NSC794842","","","","","","","","","","","","","","","","","","","","NSC794842","","C1C(N(N=C1C2=CC=C(C=C2)NC3=NC(=NC(=N3)NCCO)NCCO)C4=CC(=CC(=C4)Cl)Cl)C5=CC=C(C=C5)C(F)(F)F","RLKMOZLJZZJDRR-UHFFFAOYSA-N","155810238",NA,"PDBC50520","794842","Present"
-"NSC794843","","","","","","","","","","","","","","","","","","","","NSC794843","","COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C3=CC(=CC(=C3)Cl)Cl)C4=CC=C(C=C4)NC5=NC(=NC(=N5)NCCO)NCCO","CBOHZTPHECTESR-UHFFFAOYSA-N","155808716",NA,"PDBC50521","794843","Present"
-"NSC794844","","","","","","","","","","","","","","","","","","","","NSC794844","","C1C(N(N=C1C2=CC=C(C=C2)NC3=NC(=NC(=N3)NCCO)NCCO)C4=CC(=CC(=C4)Cl)Cl)C5=CC=C(C=C5)Cl","MQXKBTKNVHMXFH-UHFFFAOYSA-N","155807469",NA,"PDBC50522","794844","Present"
-"NSC794920","","","","","","","","","","","","","","","","","","","","NSC794920","","C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)C=C3C(=O)NC(=N3)SCC4=CC=C(C=C4)F","KFYBSMYKWRRXHF-LPYMAVHISA-N","155812149",NA,"PDBC50523","794920","Present"
-"NSC794937","","","","","","","","","","","","","","","","","","","","NSC794937","","CC1CCN(CC1)CCCCCOC2=CC3=C(C=C2)OC4=C(C3=O)C=CC(=C4)Cl","KIAUCSPOPNRBJQ-UHFFFAOYSA-N","155813470",NA,"PDBC50524","794937","Present"
-"NSC795014","","","","","","","","","","","","","","","","","","","","NSC795014","","CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl)OC","DXTOAHOPWFBCRV-UHFFFAOYSA-N","155811886",NA,"PDBC50525","795014","Present"
-"NSC795015","","","","","","","","","","","","","","","","","","","","NSC795015","","CN1C2=C(C(=C(C3=C2C(=CC(=N3)Cl)C1=O)NC(=O)C4=CC(=CC=C4)Cl)Cl)NC(=O)C5=CC(=CC=C5)Cl","FCOLUPBVCHXNIG-UHFFFAOYSA-N","155813573",NA,"PDBC50526","795015","Present"
-"NSC795124","","","","","","","","","","","","","","","","","","","","NSC795124","","CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=CC(=C(N=C3S2)C)C(C)O)N","BJHMMGQMZGFLTE-UHFFFAOYSA-N","155810157",NA,"PDBC50527","795124","Present"
-"NSC795134","","","","","","","","","","","","","","","","","","","","NSC795134","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC4=C3C(=O)C5=C(C4=O)C=CC(=C5)OCC(=O)O","XOFHYDHJULMIRK-UHFFFAOYSA-N","155809195",NA,"PDBC50528","795134","Present"
-"NSC795174","","","","","","","","","","","","","","","","","","","","NSC795174","","CC1=NC=CC2=C1N(C3=C2C=CC(=C3)OCC4=CN(N=N4)C5=CC=C(C=C5)Cl)CCCC6=CC=CC=C6","HSSHVSIUGZRBCO-UHFFFAOYSA-N","155809176",NA,"PDBC50529","795174","Present"
-"NSC795178","","","","","","","","","","","","","","","","","","","","NSC795178","","CCCCN1C2=C(C=CC(=C2)OCC3=CN(N=N3)C4=CC=C(C=C4)Cl)C5=C1C(=NC=C5)C","OAAOSGFDFMFZCA-UHFFFAOYSA-N","155808804",NA,"PDBC50530","795178","Present"
-"NSC795179","","","","","","","","","","","","","","","","","","","","NSC795179","","CC1=NC=CC2=C1N(C3=C2C=CC(=C3)OCC4=CN(N=N4)C5=CC=C(C=C5)Cl)CC(C)C","GPCJVVGWWCUKGF-UHFFFAOYSA-N","155815619",NA,"PDBC50531","795179","Present"
-"NSC795241","","","","","","","","","","","","","","","","","","","","NSC795241","","CCOC(=O)C1CCN(CC1)S(=O)(=O)N=C2C(=C(Cl)Cl)NC(=O)N2","IYABHJYUQAFSDR-UHFFFAOYSA-N","155811774",NA,"PDBC50532","795241","Present"
-"NSC795287","","","","","","","","","","","","","","","","","","","","NSC795287","","CC1=NN(C(=C1)N)S(=O)(=O)C2=C(N=C(O2)C3=CC=CC=C3)C(=O)OC","NVNFQPGMNNLOAR-UHFFFAOYSA-N","137950762",NA,"PDBC50533","795287","Present"
-"NSC795292","","","","","","","","","","","","","","","","","","","","NSC795292","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)N4CCCC4C(=O)NC5=C(C(=C(C=C5)OC)C(=O)N)O","HNVFHTSFXMPWCO-RQADWJAHSA-N","155811933",NA,"PDBC50534","795292","Present"
-"NSC795311","","","","","","","","","","","","","","","","","","","","NSC795311","","CCCN1C=C(C2=CC=CC=C21)C=NN=C3C4=C(C=CC(=C4)C)NC3=O","KSNJAABLKBXTJG-UUYOSTAYSA-N","155805628",NA,"PDBC50535","795311","Present"
-"NSC795315","","","","","","","","","","","","","","","","","","","","NSC795315","","CC1(C(CCC2(C1OC3=C(C2)C(=CC(=C3)C(=O)NC4=CC5=C(C=CN5C)C(=C4)OC)OC)C)O)C","KLVFKNPLDMEUKY-INOCPDNRSA-N","155807530",NA,"PDBC50536","795315","Present"
-"NSC795316","","","","","","","","","","","","","","","","","","","","NSC795316","","CC1(C(CCC2(C1OC3=C(C2)C(=CC(=C3)NC(=O)C4=CC5=C(C=CN5C)C(=C4)OC)OC)C)O)C","FTUOFKMEJJCOLV-INOCPDNRSA-N","155811991",NA,"PDBC50537","795316","Present"
-"NSC795337","","","","","","","","","","","","","","","","","","","","NSC795337","","COC1=CC2=C(C=C1)NC(=O)C23C(=C(NC4=C3C(=NN4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C#N","SZAMGADMOOZSKD-UHFFFAOYSA-N","155809018",NA,"PDBC50538","795337","Present"
-"NSC795464","","","","","","","","","","","","","","","","","","","","NSC795464","","CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C5=NC6=CC=CC=C6N5)O)O)O)O)O)O)C7=NC8=CC=CC=C8N7","GAIUVLLBLNSBDL-UHFFFAOYSA-N","155808632",NA,"PDBC50539","795464","Present"
-"NSC795648","","","","","","","","","","","","","","","","","","","","NSC795648","","CCCCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCN(C)C","ZSEANWHWUFPPNC-MKFPQRGTSA-N","155808714",NA,"PDBC50540","795648","Present"
-"NSC795777","","","","","","","","","","","","","","","","","","","","NSC795777","","CC(=NNC1=NC2=CC=CC=C2N1C)C3=CC=CC=N3","JNNXERNBPXXNLK-WQRHYEAKSA-N","9860098",NA,"PDBC50541","795777","Present"
-"NSC795778","","","","","","","","","","","","","","","","","","","","NSC795778","","CC(C)(CCN=C(N)NC1=NC=C(C=C1)C(=O)OC)C2=CC=C(C=C2)C(F)(F)F","QDSHUUVGBLMTPV-UHFFFAOYSA-N","155816686",NA,"PDBC50542","795778","Present"
-"NSC795898","","","","","","","","","","","","","","","","","","","","NSC795898","","C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)F)CC4=CC=CC5=C4N=CC=C5","BXCBLOYOHSTDKR-UHFFFAOYSA-N","25455158",NA,"PDBC50543","795898","Present"
-"NSC795899","","","","","","","","","","","","","","","","","","","","NSC795899","","CN1C(=C(C(=N1)C(F)(F)F)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Cl)O","FMVOHVZCNUCZPI-UHFFFAOYSA-N","137196381",NA,"PDBC50544","795899","Present"
-"NSC795957","","","","","","","","","","","","","","","","","","","","NSC795957","","CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC(C(C)C)N(C)C(=O)C(C(C)(C)C)NC(=O)C3CCCCN3C)OC(=O)C","TUQGAGMNYHKQIG-OVPNZHTRSA-N","155810618",NA,"PDBC50545","795957","Present"
-"NSC795958","","","","","","","","","","","","","","","","","","","","NSC795958","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)N(C)C(=O)C(C(C)(C)C)NC(=O)C3CCCCN3C","MVCSBMBMEVRKBJ-WVTPOXNGSA-N","155813844",NA,"PDBC50546","795958","Present"
-"NSC795959","","","","","","","","","","","","","","","","","","","","NSC795959","","CCC(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OCC)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","BMMIPWCWFJSIIC-YZSBZJFESA-N","155815103",NA,"PDBC50547","795959","Present"
-"NSC795960","","","","","","","","","","","","","","","","","","","","NSC795960","","CCC(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","SWJVFENQKSIPAW-WFEPKFSVSA-N","155808679",NA,"PDBC50548","795960","Present"
-"NSC795961","","","","","","","","","","","","","","","","","","","","NSC795961","","CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC(C(C)C)N(C)C(=O)CNC(=O)C3CCCCN3C)OC(=O)C","XNOPBUIVPLOUOX-NWYFSMRYSA-N","155813438",NA,"PDBC50549","795961","Present"
-"NSC795962","","","","","","","","","","","","","","","","","","","","NSC795962","","CC(C)C(CC(C1=NC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","GYTJKYKKCKXQAM-RWQNPXKYSA-N","155813553",NA,"PDBC50550","795962","Present"
-"NSC795963","","","","","","","","","","","","","","","","","","","","NSC795963","","CC(C)C(CC(C1=NC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","ZBCWRXPKERICEK-QBBJDXIQSA-N","155807055",NA,"PDBC50551","795963","Present"
-"NSC795964","","","","","","","","","","","","","","","","","","","","NSC795964","","CC(C)C1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)OC","LXYTYIZKDUZUQR-XRZDBFDYSA-N","142601592",NA,"PDBC50552","795964","Present"
-"NSC795965","","","","","","","","","","","","","","","","","","","","NSC795965","","CC(C)C1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)O","TZKRCEUZERTZRG-MFFBRLDPSA-N","155810520",NA,"PDBC50553","795965","Present"
-"NSC796111","","","","","","","","","","","","","","","","","","","","NSC796111","","CCCCN1C2=C(C=CC(=C2)Cl)C=C(C1=O)C=CC(=O)C=CC3=CC(=C(C=C3)O)OC","VONDYAIJKMKXRJ-TVNUJMIRSA-N","155805850",NA,"PDBC50554","796111","Present"
-"NSC796112","","","","","","","","","","","","","","","","","","","","NSC796112","","COC1=C(C=CC(=C1)C=CC(=O)C=CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC4=CC=CC=C4)O","KZNVFMDHUUFEQT-IZENVRNYSA-N","155807197",NA,"PDBC50555","796112","Present"
-"NSC796113","","","","","","","","","","","","","","","","","","","","NSC796113","","CCCCN1C2=CC=CC=C2C=C(C1=O)C=CC(=O)C=CC3=CC4=CC=CC=C4N(C3=O)CCCC","XNUQJZDSDWMFJT-YTEMWHBBSA-N","155815685",NA,"PDBC50556","796113","Present"
-"NSC796114","","","","","","","","","","","","","","","","","","","","NSC796114","","COC1=CC2=C(C=C1)NC(=O)C(=C2)C=CC(=O)C=CC3=CC(=C(C=C3)O)OC","BHADZIUSRLQPKC-SNCPXTGUSA-N","155805975",NA,"PDBC50557","796114","Present"
-"NSC796173","","","","","","","","","","","","","","","","","","","","NSC796173","","CCC(=C(C1=CC=C(C=C1)OCCN2CCCC2)C3=CC=C(C=C3)OC(=O)NCC4=CC=CC=C4)CC5=CC=CC=C5","ASVMPCYAIQFEDW-WWIWEHRJSA-N","155808696",NA,"PDBC50558","796173","Present"
-"NSC796177","","","","","","","","","","","","","","","","","","","","NSC796177","","CCCCNC(=O)OC1=CC=C(C=C1)C(=C(CC)CC2=CC=CC=C2)C3=CC=C(C=C3)OCCN4CCCCCC4","VNOWODHDRRRFPJ-GXVXDJONSA-N","155810613",NA,"PDBC50559","796177","Present"
-"NSC796178","","","","","","","","","","","","","","","","","","","","NSC796178","","CCC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OC(=O)NCC4=CC=CC=C4)CC5=CC=CC=C5","BLMUSXYOAWHHMX-GUPKEBGXSA-N","155811747",NA,"PDBC50560","796178","Present"
-"NSC796238","","","","","","","","","","","","","","","","","","","","NSC796238","","C1=CC2=C(C(=C1)F)SC3=C2OC(=C(C3C4=CC=C(C=C4)F)C#N)N","YRJJWRJURGFILJ-UHFFFAOYSA-N","155805853",NA,"PDBC50561","796238","Present"
-"NSC796317","","","","","","","","","","","","","","","","","","","","NSC796317","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CSCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","BYOHTFOIFKNLFT-MYZIRJGNSA-N","155810288",NA,"PDBC50562","796317","Present"
-"NSC796318","","","","","","","","","","","","","","","","","","","","NSC796318","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCSSCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","QYPHOUWMOPGBNB-GMINLOHTSA-N","155816723",NA,"PDBC50563","796318","Present"
-"NSC796319","","","","","","","","","","","","","","","","","","","","NSC796319","","CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2=CCCC3(C(O3)C4C(CC2)C(=C)C(=O)O4)C","SUKRULKGPBZTBI-WGXNNALFSA-N","155813820",NA,"PDBC50564","796319","Present"
-"NSC796430","","","","","","","","","","","","","","","","","","","","NSC796430","","","","",NA,"PDBC50565","796430","Present"
-"NSC796472","","","","","","","","","","","","","","","","","","","","NSC796472","","CCCCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OCCN4CCCCC4","HXYRUHKXMNSDQX-DNGXXSEMSA-N","155807563",NA,"PDBC50566","796472","Present"
-"NSC796476","","","","","","","","","","","","","","","","","","","","NSC796476","","CCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCCC4","RFQRUCGAYRQRNX-MHTZHOPKSA-N","155806305",NA,"PDBC50567","796476","Present"
-"NSC797143","","","","","","","","","","","","","","","","","","","","NSC797143","","COC1=CC(=C(C=C1)C=C2CCC3=C2[O+]=C4C=C(C=CC4=C3)OC)O","ZPKNPIQZTUAUDI-DHDCSXOGSA-O","155816500",NA,"PDBC50568","797143","Present"
-"NSC797191","","","","","","","","","","","","","","","","","","","","NSC797191","","CC1=CC2=CC(=C(N=C2C=C1)SC)C=C3C=C(NC3=O)C4=CC=CC=C4","KSGAFUUUDQWXLI-ATVHPVEESA-N","155808738",NA,"PDBC50569","797191","Present"
-"NSC797251","","","","","","","","","","","","","","","","","","","","NSC797251","","CC12CCC3C(C1CCC2=O)CC4C5(C3(CCC(=O)C5)C)N=C(S4)NC6=CC=CC=C6","CHHABRFGWMWPOH-CXCVPGNWSA-N","155811844",NA,"PDBC50570","797251","Present"
-"NSC797348","","","","","","","","","","","","","","","","","","","","NSC797348","","C1CN(C2=C1C=CC(=C2)Cl)C3=NC=NC4=C3C=C(C=C4)C5=CN=C(N=C5)N","ASJNPNGWQHOPTM-UHFFFAOYSA-N","155816420",NA,"PDBC50571","797348","Present"
-"NSC797349","","","","","","","","","","","","","","","","","","","","NSC797349","","C1CN(C2=C1C=CC(=C2)Cl)C3=NC=NC4=C3C=C(C=C4)C5=CN=C6C(=C5)C=CN6","SAFLQSGYYCHBMN-UHFFFAOYSA-N","155816469",NA,"PDBC50572","797349","Present"
-"NSC797360","","","","","","","","","","","","","","","","","","","","NSC797360","","C1=CC=NC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)Cl","JEKWOUQUJJQXDM-YDZHTSKRSA-N","155810590",NA,"PDBC50573","797360","Present"
-"NSC797394","","","","","","","","","","","","","","","","","","","","NSC797394","","C1CC2=CC=CC=C2C1NC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)COS(=O)(=O)N)O)O","PGAMXUGSHMQFKD-BPAMBQHCSA-N","11655576",NA,"PDBC50574","797394","Present"
-"NSC797417","","","","","","","","","","","","","","","","","","","","NSC797417","","C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=NC=C3)NCCNC(=O)CCl","BMYUAYSYGYCSGQ-UHFFFAOYSA-N","155816349",NA,"PDBC50575","797417","Present"
-"NSC797420","","","","","","","","","","","","","","","","","","","","NSC797420","","COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])OC","ITRAGDODVWDDEE-RMKNXTFCSA-N","5719419",NA,"PDBC50576","797420","Present"
-"NSC797421","","","","","","","","","","","","","","","","","","","","NSC797421","","COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=C(C=C2)C#N)OC","OSRRXJMZZHTZJT-CMDGGOBGSA-N","71474078",NA,"PDBC50577","797421","Present"
-"NSC797422","","","","","","","","","","","","","","","","","","","","NSC797422","","COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC(=CC=C2)C#N)OC","CVNFUORAQBPTKH-BQYQJAHWSA-N","89300085",NA,"PDBC50578","797422","Present"
-"NSC797423","","","","","","","","","","","","","","","","","","","","NSC797423","","COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])OC","VJNBRWWDKJRZIL-RMKNXTFCSA-N","9974713",NA,"PDBC50579","797423","Present"
-"NSC797424","","","","","","","","","","","","","","","","","","","","NSC797424","","COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2[N+](=O)[O-])OC","UOEZGUXMWHYVJQ-CMDGGOBGSA-N","44457048",NA,"PDBC50580","797424","Present"
-"NSC797426","","","","","","","","","","","","","","","","","","","","NSC797426","","COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC(=CC=C2)C(F)(F)F)OC","ZHTZOYRJFMLYEG-BQYQJAHWSA-N","53310696",NA,"PDBC50581","797426","Present"
-"NSC797462","","","","","","","","","","","","","","","","","","","","NSC797462","","C1=CC(=CC=C1C2=CC(=NC3=C2SC(=O)N3)C(=O)NC4=CC=C(C=C4)Cl)F","GSQAFNQOHHVTCN-UHFFFAOYSA-N","155812107",NA,"PDBC50582","797462","Present"
-"NSC797482","","","","","","","","","","","","","","","","","","","","NSC797482","","C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C(=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])Cl)SC2=S","FEPPJLIFJBHBND-NMBDOBDKSA-N","5347087",NA,"PDBC50583","797482","Present"
-"NSC797517","","","","","","","","","","","","","","","","","","","","NSC797517","","CC1=C(SC(=N1)NC2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)F","RFNFDCWOQNGFMI-RMKNXTFCSA-N","155805891",NA,"PDBC50584","797517","Present"
-"NSC797519","","","","","","","","","","","","","","","","","","","","NSC797519","","CC1=C(SC(=N1)NC2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl","HPZLRPBVRVDHGB-RMKNXTFCSA-N","155816452",NA,"PDBC50585","797519","Present"
-"NSC797587","","","","","","","","","","","","","","","","","","","","NSC797587","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=CC=CC=C4","XKSKLCTXUXAJBA-FNCJUPDBSA-N","155812565",NA,"PDBC50586","797587","Present"
-"NSC797659","","","","","","","","","","","","","","","","","","","","NSC797659","","COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)Cl)OC)OC","BUDJAKORKCNWPC-UHFFFAOYSA-N","142727334",NA,"PDBC50587","797659","Present"
-"NSC797729","","","","","","","","","","","","","","","","","","","","NSC797729","","C1=CC=C2C(=C1)C=C3C(=C2C4=CNC5=C4C=C(C=C5)[N+](=O)[O-])C6=C(N3)C=CC(=C6)[N+](=O)[O-]","LBRKIQKTCYPGCO-UHFFFAOYSA-N","155808578",NA,"PDBC50588","797729","Present"
-"NSC797734","","","","","","","","","","","","","","","","","","","","NSC797734","","C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C3=C4C(=CC5=C3C=CS5)NC6=C4C=C(C=C6)[N+](=O)[O-]","UYMCDNLNOUWGHZ-UHFFFAOYSA-N","155806021",NA,"PDBC50589","797734","Present"
-"NSC797768","","","","","","","","","","","","","","","","","","","","NSC797768","","CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4)C5=CSC6=C5OC(=CC6=O)N7CCOCC7","XJKTXWSMMWPNTP-UHFFFAOYSA-N","153289441",NA,"PDBC50590","797768","Present"
-"NSC797878","","","","","","","","","","","","","","","","","","","","NSC797878","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CNC5=C4C=C(C=C5)F","YTTVMFZWOFDYNQ-LPCPJUPKSA-N","155809131",NA,"PDBC50591","797878","Present"
-"NSC797879","","","","","","","","","","","","","","","","","","","","NSC797879","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CNC5=C4C=C(C=C5)Br","NQZJGUARZSIMKN-LPCPJUPKSA-N","155812023",NA,"PDBC50592","797879","Present"
-"NSC797880","","","","","","","","","","","","","","","","","","","","NSC797880","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CNC5=C4C=C(C=C5)Cl","NPQHHHPDUSSZFB-LPCPJUPKSA-N","155805880",NA,"PDBC50593","797880","Present"
-"NSC797881","","","","","","","","","","","","","","","","","","","","NSC797881","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CNC5=C4C=C(C=C5)Cl","RMYMJPCAKIETMC-ACFFBWOGSA-N","155805684",NA,"PDBC50594","797881","Present"
-"NSC797882","","","","","","","","","","","","","","","","","","","","NSC797882","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CNC5=C4C=C(C=C5)OC","QBJFIYKXBCTYOL-AOJANBIMSA-N","155813269",NA,"PDBC50595","797882","Present"
-"NSC797883","","","","","","","","","","","","","","","","","","","","NSC797883","","CC(C)CC1=CC=C(C=C1)C(C)CNC(=O)OCC2=CCCC3(C(O3)C4C(CC2)C(=C)C(=O)O4)C","SJNSXKQOQDZKBF-RRZHTKTESA-N","155816771",NA,"PDBC50596","797883","Present"
-"NSC797891","","","","","","","","","","","","","","","","","","","","NSC797891","","B(OC(=CC(=O)C=CC1=CSC2=CC=CC=C21)C=CC3=CSC4=CC=CC=C43)(F)F","SYHFYONLROKVSP-WGCDZPPWSA-N","155807182",NA,"PDBC50597","797891","Present"
-"NSC797905","","","","","","","","","","","","","","","","","","","","NSC797905","","CCC(C)(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OCC)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","CFXXJUQVXWCZLZ-CRLCUMOYSA-N","155815224",NA,"PDBC50598","797905","Present"
-"NSC797906","","","","","","","","","","","","","","","","","","","","NSC797906","","CCC(C)(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","LGICQGXAECCYRD-JXEFJUJFSA-N","142601599",NA,"PDBC50599","797906","Present"
-"NSC797907","","","","","","","","","","","","","","","","","","","","NSC797907","","CC(C)C1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CC(CCN2C)O)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)OC","COTPSIOVTKIEAC-YGFGYCEHSA-N","155812225",NA,"PDBC50600","797907","Present"
-"NSC797909","","","","","","","","","","","","","","","","","","","","NSC797909","","CC(C)C1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CC(=O)CCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)OC","OPXYZRKDLQXKBY-PUNIVKTQSA-N","155807083",NA,"PDBC50601","797909","Present"
-"NSC797910","","","","","","","","","","","","","","","","","","","","NSC797910","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","XCPFAUNYESDMDK-PHRCFWATSA-N","155812282",NA,"PDBC50602","797910","Present"
-"NSC797911","","","","","","","","","","","","","","","","","","","","NSC797911","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","XCPFAUNYESDMDK-BNYJDTCASA-N","155809077",NA,"PDBC50603","797911","Present"
-"NSC797912","","","","","","","","","","","","","","","","","","","","NSC797912","","CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C3CC(CCN3C)O[Si](C)(C)C(C)(C)C)OC(=O)C","QUIIRXKMXFNZAC-LHOSQHSLSA-N","155815107",NA,"PDBC50604","797912","Present"
-"NSC797913","","","","","","","","","","","","","","","","","","","","NSC797913","","CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=C(SC(=N2)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C)OC(=O)C)CCOCC4=CC=CC=C4","JKIBXIQVJVECJX-QVHRZWFPSA-N","142601616",NA,"PDBC50605","797913","Present"
-"NSC797914","","","","","","","","","","","","","","","","","","","","NSC797914","","CC(C)C(CC(C1=NC(=C(S1)CCOCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)O)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","WNGBPULEAZNVGN-OZPUQXOSSA-N","155813767",NA,"PDBC50606","797914","Present"
-"NSC797927","","","","","","","","","","","","","","","","","","","","NSC797927","","CCN(CC)CC[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC","XPIJVBXWVGDBOV-UHFFFAOYSA-N","155811744",NA,"PDBC50607","797927","Present"
-"NSC797944","","","","","","","","","","","","","","","","","","","","NSC797944","","","","",NA,"PDBC50608","797944","Present"
-"NSC797945","","","","","","","","","","","","","","","","","","","","NSC797945","","","","",NA,"PDBC50609","797945","Present"
-"NSC797971","","","","","","","","","","","","","","","","","","","","NSC797971","","CC12CCC3C(C1CCC2O)CC4C5(C3(CCC(C5)O)C)N=C(S4)NC6=CC=CC=C6","NDSCFVJFUWDFNJ-DVLCJUKDSA-N","155810663",NA,"PDBC50610","797971","Present"
-"NSC798013","","","","","","","","","","","","","","","","","","","","NSC798013","","COC(=O)C1=C(C2C=CC1(O2)C(CC3=CC=CC=C3)NC4=CC=CC=C4)C(=O)ON","FIGBEJJMYPCUPP-UHFFFAOYSA-N","155816486",NA,"PDBC50611","798013","Present"
-"NSC798014","","","","","","","","","","","","","","","","","","","","NSC798014","","COC(=O)C1=C(C2C=CC1(O2)C(CC3=CC=CC=C3)NC4=CC=CC=C4)C(=O)ON","FIGBEJJMYPCUPP-IXFSTUDKSA-N","155816957",NA,"PDBC50612","798014","Present"
-"NSC798260","","","","","","","","","","","","","","","","","","","","NSC798260","","B(OC(=CC(=O)C=CC1=CC2=C(C=C1)NC=C2SC#N)C=CC3=CC4=C(C=C3)NC=C4SC#N)(F)F","TXVJFKQTSFPHTB-KYCQJBCBSA-N","155807703",NA,"PDBC50613","798260","Present"
-"NSC798261","","","","","","","","","","","","","","","","","","","","NSC798261","","C1=CC2=C(C=C1C=CC(=CC(=O)C=CC3=CC4=C(C=C3)NC=C4SC#N)O)C(=CN2)SC#N","WLXHJUBQMKDZTB-FLEMXCKYSA-N","155817001",NA,"PDBC50614","798261","Present"
-"NSC798262","","","","","","","","","","","","","","","","","","","","NSC798262","","B(OC(=CC(=O)C=CC1=C2C(=CC=C1)NC=C2SC#N)C=CC3=C4C(=CC=C3)NC=C4SC#N)(F)F","WQHYQXROJHBGHC-YUVMCWJMSA-N","155813948",NA,"PDBC50615","798262","Present"
-"NSC798263","","","","","","","","","","","","","","","","","","","","NSC798263","","C1=CC(=C2C(=C1)NC=C2SC#N)C=CC(=CC(=O)C=CC3=C4C(=CC=C3)NC=C4SC#N)O","JLAJVVQMCWAWNT-JTLKFFIHSA-N","155812371",NA,"PDBC50616","798263","Present"
-"NSC798267","","","","","","","","","","","","","","","","","","","","NSC798267","","B(OC(=CC(=O)C=CC1=C2C=CNC2=CC=C1)C=CC3=C4C=CNC4=CC=C3)(F)F","TYFHASDEMSGKJQ-GGQOPWMESA-N","155810826",NA,"PDBC50617","798267","Present"
-"NSC798269","","","","","","","","","","","","","","","","","","","","NSC798269","","B(OC(=CC(=O)C=CC1=CC2=C(C=C1)NC=C2)C=CC3=CC4=C(C=C3)NC=C4)(F)F","XAIHMCJANYQGPI-IZZWUQLKSA-N","155812366",NA,"PDBC50618","798269","Present"
-"NSC798637","","","","","","","","","","","","","","","","","","","","NSC798637","","CC(=CCC1=C(C=C(C=C1O)NC(=O)C2=CC3=C(C(=C2)OC)OC4(CCC(C(C4C3)(C)C)O)C)O)C","XXJHCIQTPYWFFZ-ITLAICGJSA-N","155817070",NA,"PDBC50619","798637","Present"
-"NSC798638","","","","","","","","","","","","","","","","","","","","NSC798638","","CC(=CCC1=C(C=C(C=C1O)C(=O)NC2=CC3=C(C(=C2)OC)OC4(CCC(C(C4C3)(C)C)O)C)O)C","GPVXMWFDDWBWNJ-ITLAICGJSA-N","155812451",NA,"PDBC50620","798638","Present"
-"NSC798640","","","","","","","","","","","","","","","","","","","","NSC798640","","CC1CCC2C1C(C3(CC(C2(O3)C)NC(=O)CO)C4CCCCC4)OC(=O)C=CC5=CC=CC=C5","JATHZHDQYHORSZ-OXBSAGKHSA-N","155807769",NA,"PDBC50621","798640","Present"
-"NSC798698","","","","","","","","","","","","","","","","","","","","NSC798698","","CC(C(C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=C(C=C5)F)NC(=O)C(C)N","MWJLADUCVQWMIW-XJCBTKLQSA-N","155806176",NA,"PDBC50622","798698","Present"
-"NSC798705","","","","","","","","","","","","","","","","","","","","NSC798705","","CC12CCC3C(C1CCC2O)CC4C5(C3(CCC(C5)O)C)SC(=N4)C6=CC=C(C=C6)O","ZVMSFGKHXARIAQ-UMENMJNPSA-N","155817073",NA,"PDBC50623","798705","Present"
-"NSC798753","","","","","","","","","","","","","","","","","","","","NSC798753","","CCSC(=C(C#N)C(=O)NN=CC1=C(C=C(C=C1)Cl)Cl)NC2=CC=CC=C2","FJDYQEMGLNJPOQ-WURWGQHYSA-N","155815598",NA,"PDBC50624","798753","Present"
-"NSC798779","","","","","","","","","","","","","","","","","","","","NSC798779","","CCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4","HDWDTLULJKYBFL-MKFPQRGTSA-N","155806235",NA,"PDBC50625","798779","Present"
-"NSC798780","","","","","","","","","","","","","","","","","","","","NSC798780","","CC(=C(C1=CC=C(C=C1)OCCN2CCCCC2)C3=CC=C(C=C3)OC(=O)NCC4=CC=CC=C4)CC5=CC=C(C=C5)OC","ZHOXESCAODGLFK-GPFIVKHLSA-N","155815605",NA,"PDBC50626","798780","Present"
-"NSC798785","","","","","","","","","","","","","","","","","","","","NSC798785","","CCNC(=O)OC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCN(CC)CC","ADMKNWTYNSPQED-QLTSDVKISA-N","155814103",NA,"PDBC50627","798785","Present"
-"NSC798795","","","","","","","","","","","","","","","","","","","","NSC798795","","CC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OC(=O)CC4=CC=CC=C4)C5=CC=C(C=C5)Cl","NABIVTWGQMNHHX-FSUXQIQLSA-N","155810950",NA,"PDBC50628","798795","Present"
-"NSC798862","","","","","","","","","","","","","","","","","","","","NSC798862","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C4=CC=CC5=CC=CC=C54","DVQJWMPJVFJGND-AKYDVEDYSA-N","155812613",NA,"PDBC50629","798862","Present"
-"NSC798863","","","","","","","","","","","","","","","","","","","","NSC798863","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54","ADVVXEYQOADEMK-YBRXZWIGSA-N","155806361",NA,"PDBC50630","798863","Present"
-"NSC799011","","","","","","","","","","","","","","","","","","","","NSC799011","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)NC3=CC=C(C=C3)C(F)(F)F)C=CC4=CC(=C(C=C4)O)OC)O","XKCHWZGOQQOIME-FBBLOSFGSA-N","155809506",NA,"PDBC50631","799011","Present"
-"NSC799156","","","","","","","","","","","","","","","","","","","","NSC799156","","CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)S(=O)(=O)C)O","LYMNUZPLGHCBEG-DEDYPNTBSA-N","155812617",NA,"PDBC50632","799156","Present"
-"NSC799191","","","","","","","","","","","","","","","","","","","","NSC799191","","CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N)C4=CC(=CC=C4)OC","BKRAIBMTRIJQBF-UXHLAJHPSA-N","155817249",NA,"PDBC50633","799191","Present"
-"NSC799192","","","","","","","","","","","","","","","","","","","","NSC799192","","CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)OC","FDAQXEJDFSTUHH-UXHLAJHPSA-N","155806379",NA,"PDBC50634","799192","Present"
-"NSC799248","","","","","","","","","","","","","","","","","","","","NSC799248","","CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)C","LAQZOUNYGVOUIZ-PIQRGQFYSA-N","59980142",NA,"PDBC50635","799248","Present"
-"NSC799249","","","","","","","","","","","","","","","","","","","","NSC799249","","CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)O)NC(=O)C","WRZCODSGTIMFRV-WKJWWUBZSA-N","155812501",NA,"PDBC50636","799249","Present"
-"NSC799250","","","","","","","","","","","","","","","","","","","","NSC799250","","CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)O)NS(=O)(=O)C","GSMRCCJIPPGMRL-DMLCWAEOSA-N","155812503",NA,"PDBC50637","799250","Present"
-"NSC799251","","","","","","","","","","","","","","","","","","","","NSC799251","","CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)C(C)C","CGBJGSAEHDSALD-MWDRSEEBSA-N","155810959",NA,"PDBC50638","799251","Present"
-"NSC799252","","","","","","","","","","","","","","","","","","","","NSC799252","","CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)OC","DNNIYTHOENIHJD-IJWWBIQNSA-N","155810962",NA,"PDBC50639","799252","Present"
-"NSC799253","","","","","","","","","","","","","","","","","","","","NSC799253","","CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)N","AWYFOSGPUUXKOH-FTHBNIPZSA-N","155812500",NA,"PDBC50640","799253","Present"
-"NSC799254","","","","","","","","","","","","","","","","","","","","NSC799254","","CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)NC","HOQWGMYKYIQGGS-IJWWBIQNSA-N","155807848",NA,"PDBC50641","799254","Present"
-"NSC799255","","","","","","","","","","","","","","","","","","","","NSC799255","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CNC5=C4C=C(C=C5)OC","POOMAQQECONUGF-RJSAQQEJSA-N","155807849",NA,"PDBC50642","799255","Present"
-"NSC799256","","","","","","","","","","","","","","","","","","","","NSC799256","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CN(C5=CC=CC=C54)C","RCVKCLFKMCACPM-AKYDVEDYSA-N","155817150",NA,"PDBC50643","799256","Present"
-"NSC799257","","","","","","","","","","","","","","","","","","","","NSC799257","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC(=CC=C4)OC","DRPFHOMQMAZDFR-NGPBQMIVSA-N","155806245",NA,"PDBC50644","799257","Present"
-"NSC799258","","","","","","","","","","","","","","","","","","","","NSC799258","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=C5C=CC=CC5=NN4","PWQDASWLOCUQMK-XUVHLHGVSA-N","155806242",NA,"PDBC50645","799258","Present"
-"NSC799260","","","","","","","","","","","","","","","","","","","","NSC799260","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCCl","KZOVLJJXKYZWBI-FTKJOGDLSA-N","155810963",NA,"PDBC50646","799260","Present"
-"NSC799649","","","","","","","","","","","","","","","","","","","","NSC799649","","C1CC2=C(C1)SC3=NC=NC(=C23)NC4=C(NN=C4)C(=O)NC5=NC=C(C=C5)N6CCNCC6","CPHKRUXSSWWABO-UHFFFAOYSA-N","155807811",NA,"PDBC50647","799649","Present"
-"NSC799650","","","","","","","","","","","","","","","","","","","","NSC799650","","C1CC2=C(C1)SC3=NC=NC(=C23)NC4=C(NN=C4)C(=O)NC5=CC=C(C=C5)N6CCNCC6","AOUKPCAVTZURHO-UHFFFAOYSA-N","155810917",NA,"PDBC50648","799650","Present"
-"NSC799658","","","","","","","","","","","","","","","","","","","","NSC799658","","","","",NA,"PDBC50649","799658","Present"
-"NSC799660","","","","","","","","","","","","","","","","","","","","NSC799660","","COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC4=C3N=CC=C4)NC5CCN(CC5)CC6=CC=CC=C6)OC","QFVHSOYWIOMHOO-UHFFFAOYSA-N","155817075",NA,"PDBC50650","799660","Present"
-"NSC799661","","","","","","","","","","","","","","","","","","","","NSC799661","","CN(C)C1=NC=C(C=N1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)OC)OC","GLZISIDXHSISKJ-UHFFFAOYSA-N","155807766",NA,"PDBC50651","799661","Present"
-"NSC799691","","","","","","","","","","","","","","","","","","","","NSC799691","","C1=CC=C2C(=C1)C3=C(C2=O)N=NC(=N3)C4=[N+](ON=C4N)[O-]","OXBYJNVXZPKMRV-UHFFFAOYSA-N","155809574",NA,"PDBC50652","799691","Present"
-"NSC799696","","","","","","","","","","","","","","","","","","","","NSC799696","","CCOC(=O)C1=C(N(N=N1)C2=NO[N+](=C2C3=CC=C(C=C3)OC)[O-])COC4=CC=CC5=C4N=CC=C5","BKWBEAIFSGHPGK-UHFFFAOYSA-N","155815796",NA,"PDBC50653","799696","Present"
-"NSC799728","","","","","","","","","","","","","","","","","","","","NSC799728","","CC(=CCCC(=CCC1=C(C=C(C=C1O)C2=CN(N=N2)C3=CC4=C(C(=C3)OC)OC5(CCC(C(C5C4)(C)C)O)C)O)C)C","VOXDMVZGEDBMIW-XKBAZTDFSA-N","155817292",NA,"PDBC50654","799728","Present"
-"NSC799752","","","","","","","","","","","","","","","","","","","","NSC799752","","C1=CC(=CC=C1NC2=NC3=NON=C3N=C2NC4=CC=C(C=C4)I)I","KXBGCIMRYZMVCD-UHFFFAOYSA-N","3114176",NA,"PDBC50655","799752","Present"
-"NSC799756","","","","","","","","","","","","","","","","","","","","NSC799756","","COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=NON=C4N=C3","IZECIRGLRZIXBY-UHFFFAOYSA-N","51138551",NA,"PDBC50656","799756","Present"
-"NSC799829","","","","","","","","","","","","","","","","","","","","NSC799829","","CC1=CC=C(C=C1)C2=NC3=C(N=CN=C3NC(C2)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F)N","IFWCLWCILBVBEE-UHFFFAOYSA-N","155815794",NA,"PDBC50657","799829","Present"
-"NSC799837","","","","","","","","","","","","","","","","","","","","NSC799837","","CC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3NC(C2)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F)N)N","ASSYKQSQZCJHGG-UHFFFAOYSA-N","155812663",NA,"PDBC50658","799837","Present"
-"NSC799919","","","","","","","","","","","","","","","","","","","","NSC799919","","CC1=C2C3=C(C=CC(=C3)OCCN(C)C)NC2=NC4=C1N=CC=C4","FECLGWOBYRAFTB-UHFFFAOYSA-N","155817296",NA,"PDBC50659","799919","Present"
-"NSC799966","","","","","","","","","","","","","","","","","","","","NSC799966","","CC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl","ICVUEAKIRCUKAA-LSWMGQQCSA-N","155811110",NA,"PDBC50660","799966","Present"
-"NSC799971","","","","","","","","","","","","","","","","","","","","NSC799971","","CC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl","WJFWFUPRLZNUAY-DKJXEYTPSA-N","155812662",NA,"PDBC50661","799971","Present"
-"NSC799980","","","","","","","","","","","","","","","","","","","","NSC799980","","CC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OC(=O)C4CCCCC4)C5=CC=C(C=C5)OC","AHXJFNFVWKIVTF-FDEZRRJOSA-N","155809568",NA,"PDBC50662","799980","Present"
-"NSC800038","","","","","","","","","","","","","","","","","","","","NSC800038","","","","",NA,"PDBC50663","800038","Present"
-"NSC800046","","","","","","","","","","","","","","","","","","","","NSC800046","","C#CCOC1=CC=CC(=C1)NC2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","IVMBXIDMDDCRLI-UHFFFAOYSA-N","155814264",NA,"PDBC50664","800046","Present"
-"NSC800047","","","","","","","","","","","","","","","","","","","","NSC800047","","C=CC(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)OCC#C","ZQOUYVXQYMZXSB-UHFFFAOYSA-N","155812635",NA,"PDBC50665","800047","Present"
-"NSC800050","","","","","","","","","","","","","","","","","","","","NSC800050","","C#CCOC1=CC=CC(=C1)NC2=NC=NC3=C2C=CC=C3NC(=O)CCl","WGQIHHLUSMZGEM-UHFFFAOYSA-N","155807981",NA,"PDBC50666","800050","Present"
-"NSC800051","","","","","","","","","","","","","","","","","","","","NSC800051","","C=CC(=O)NC1=CC=CC2=C1N=CN=C2NC3=CC(=CC=C3)OCC#C","APDOCPVYCFEDPL-UHFFFAOYSA-N","155811084",NA,"PDBC50667","800051","Present"
-"NSC800054","","","","","","","","","","","","","","","","","","","","NSC800054","","C#CCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)NC(=O)CCl","NPGHZBAODDIQKV-UHFFFAOYSA-N","155812631",NA,"PDBC50668","800054","Present"
-"NSC800055","","","","","","","","","","","","","","","","","","","","NSC800055","","C=CC(=O)NC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)OCC#C","FGLKUQUJLPDTFR-UHFFFAOYSA-N","155812630",NA,"PDBC50669","800055","Present"
-"NSC800056","","","","","","","","","","","","","","","","","","","","NSC800056","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)NCCC6=CC=C(C=C6)O)C)CO","NWTSKFFYRKGTAR-OGTXVEBCSA-N","49865965",NA,"PDBC50670","800056","Present"
-"NSC800057","","","","","","","","","","","","","","","","","","","","NSC800057","","CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C=C(C(=O)C5(C)C)C=O)C)C)COC6CCCCO6","QKWURVPUWCAXKY-XIYJGOOFSA-N","57605977",NA,"PDBC50671","800057","Present"
-"NSC800058","","","","","","","","","","","","","","","","","","","","NSC800058","","CC1(C2CCC3(C(C2(C=C(C1=O)C=O)C)CCC4C3(CCC5(C4C(CC5)C(=C)CO)COC6CCCCO6)C)C)C","BWJJTTMRISWTCO-XIYJGOOFSA-N","57605939",NA,"PDBC50672","800058","Present"
-"NSC800059","","","","","","","","","","","","","","","","","","","","NSC800059","","CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCC6=CC=C(C=C6)O)CO)C)C)C","PANRNQMMBRCNTO-UJTBAKDQSA-N","49866019",NA,"PDBC50673","800059","Present"
-"NSC800060","","","","","","","","","","","","","","","","","","","","NSC800060","","CC1(C2CCC3(C(C2(CCC1NCCC4=CC=C(C=C4)O)C)CCC5C3(CCC6(C5C(CC6)C(=C)CNCCC7=CC=C(C=C7)O)CO)C)C)C","CRDYVFQCTUUNBQ-JAALZTQJSA-N","155812629",NA,"PDBC50674","800060","Present"
-"NSC800316","","","","","","","","","","","","","","","","","","","","NSC800316","","CC(=C(C1=CC=C(C=C1)OCCN2CCCCC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC","FGEQLQPOBBMEJQ-QUPMIFSKSA-N","155817029",NA,"PDBC50675","800316","Present"
-"NSC800317","","","","","","","","","","","","","","","","","","","","NSC800317","","CC(=C(C1=CC=C(C=C1)OCCN2CCCC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC","LPMJEQJZKSTSFV-SGWCAAJKSA-N","155810851",NA,"PDBC50676","800317","Present"
-"NSC800349","","","","","","","","","","","","","","","","","","","","NSC800349","","C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC4)CCO","RJNWVGRGXKDNDY-UHFFFAOYSA-N","155812411",NA,"PDBC50677","800349","Present"
-"NSC800354","","","","","","","","","","","","","","","","","","","","NSC800354","","CC12CCC3C(C1CCC2=O)CC4C5(C3(CCC(=NNC(=O)N)C5)C)N=C(S4)N","BPESDROEQFBBHW-YVYBLLAWSA-N","155813989",NA,"PDBC50678","800354","Present"
-"NSC800378","","","","","","","","","","","","","","","","","","","","NSC800378","","CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4CCCCC4)OC(=O)C=CC5=CC=CC=C5","JXFQQIYBAMHDFG-OXBSAGKHSA-N","155815533",NA,"PDBC50679","800378","Present"
-"NSC800379","","","","","","","","","","","","","","","","","","","","NSC800379","","CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4=CC=CC=C4)OC(=O)C=CC5=CC=CC=C5","BPAJKVSHFKELEO-OXBSAGKHSA-N","155813990",NA,"PDBC50680","800379","Present"
-"NSC800380","","","","","","","","","","","","","","","","","","","","NSC800380","","CN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)OC3=CC(=CC=C3)OC(F)(F)F)CC4=CC=C(C=C4)Cl","PRJHEJGMSOBHTO-UHFFFAOYSA-N","85473438",NA,"PDBC50681","800380","Present"
-"NSC800381","","","","","","","","","","","","","","","","","","","","NSC800381","","CC(C)CC(CC1=CCC2CC1C2(C)C)C3=C(C(C(=O)C(C3=O)(C)C)(C)C)O","RATBIMAQZWTQOG-UHFFFAOYSA-N","155810847",NA,"PDBC50682","800381","Present"
-"NSC800434","","","","","","","","","","","","","","","","","","","","NSC800434","","CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4)C5=CSC6=C5OC(=CC6=O)N7CCNCC7","CESQZFGDVWSMEB-UHFFFAOYSA-N","135263711",NA,"PDBC50683","800434","Present"
-"NSC800436","","","","","","","","","","","","","","","","","","","","NSC800436","","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)OCCOC","JYQMKYWWIBWGOF-UHFFFAOYSA-N","155809292",NA,"PDBC50684","800436","Present"
-"NSC800437","","","","","","","","","","","","","","","","","","","","NSC800437","","CC(C)(C)CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C","DENRYIOMPHFKAE-UHFFFAOYSA-N","155813957",NA,"PDBC50685","800437","Present"
-"NSC800658","","","","","","","","","","","","","","","","","","","","NSC800658","","C1=CC=C2C(=C1)C3=C4C(=C5C(=C3N2)NC(=N5)N)C6=CC=CC=C6N4","PHEHEURBBGJBEG-UHFFFAOYSA-N","155807693",NA,"PDBC50686","800658","Present"
-"NSC800746","","","","","","","","","","","","","","","","","","","","NSC800746","","C1=CC=C(C=C1)C2=NNC3(N2C4=CC=CC=C4)C=CC(=O)C5=C3C=CC=C5O","HVMYWMGLNBKBNG-UHFFFAOYSA-N","155811137",NA,"PDBC50687","800746","Present"
-"NSC800814","","","","","","","","","","","","","","","","","","","","NSC800814","","C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2","HWXVIOGONBBTBY-ARJAWSKDSA-N","73014199",NA,"PDBC50688","800814","Present"
-"NSC800817","","","","","","","","","","","","","","","","","","","","NSC800817","","CN1C=C(C2=CC=CC=C21)C3=NC=NC4=C3C=C(C=C4)C5=CC(=C(N=C5)Cl)NS(=O)(=O)C","KKFZMVGEKGMOMK-UHFFFAOYSA-N","155807708",NA,"PDBC50689","800817","Present"
-"NSC800818","","","","","","","","","","","","","","","","","","","","NSC800818","","CC1=C(C=CC(=C1)OC2=CC=CC=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC(=C(N=C5)Cl)NS(=O)(=O)C","MJIMHXGERISKNP-UHFFFAOYSA-N","155817012",NA,"PDBC50690","800818","Present"
-"NSC800879","","","","","","","","","","","","","","","","","","","","NSC800879","","CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1","VXBAJLGYBMTJCY-IHWYPQMZSA-N","73014218",NA,"PDBC50691","800879","Present"
-"NSC800928","","","","","","","","","","","","","","","","","","","","NSC800928","","C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)Br)C=CC(=O)C3=NC=CN3","TZMQBCAKSDDEDW-BJMVGYQFSA-N","155807747",NA,"PDBC50692","800928","Present"
-"NSC800931","","","","","","","","","","","","","","","","","","","","NSC800931","","CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)S(F)(F)(F)(F)F","DNXHWSLJYVURKC-IZZDOVSWSA-N","155817055",NA,"PDBC50693","800931","Present"
-"NSC800932","","","","","","","","","","","","","","","","","","","","NSC800932","","CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)Br","QCSNPNYRALDIDP-IZZDOVSWSA-N","155806161",NA,"PDBC50694","800932","Present"
-"NSC801078","","","","","","","","","","","","","","","","","","","","NSC801078","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C=CC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","HDGMFSSBENOIFR-KNIHMLGBSA-N","155807748",NA,"PDBC50695","801078","Present"
-"NSC801079","","","","","","","","","","","","","","","","","","","","NSC801079","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OCC6=CCCC7(C(O7)C8C(CC6)C(=C)C(=O)O8)C)O","SDFSXUIPEQRXKS-JPSXRNAPSA-N","155812443",NA,"PDBC50696","801079","Present"
-"NSC801121","","","","","","","","","","","","","","","","","","","","NSC801121","","CC1(C2CCC3(C(C2(CCC1N)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCO)CO)C)C)C","NUMDCZFKPVPXKE-SJOMWMNGSA-N","49866067",NA,"PDBC50697","801121","Present"
-"NSC801122","","","","","","","","","","","","","","","","","","","","NSC801122","","CC1(C2CCC3(C(C2(CCC1NCCC4=CC=C(C=C4)O)C)CCC5C3(CCC6(C5C(CC6)C(=C)CNCCO)CO)C)C)C","OPFARVHLHCUEBK-JEMCJYJNSA-N","49866069",NA,"PDBC50698","801122","Present"
-"NSC801124","","","","","","","","","","","","","","","","","","","","NSC801124","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)NC(=O)C6=C(C(=CC=C6)OC(=O)C)OC(=O)C)C)C(=O)O","NBRLKSSAOPFDJE-XTDBLSLCSA-N","155811153",NA,"PDBC50699","801124","Present"
-"NSC801125","","","","","","","","","","","","","","","","","","","","NSC801125","","CC1(C2CCC3(C(C2(CCC1N)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCC6=CC=C(C=C6)O)CO)C)C)C","KODVCBFFYKXPLO-OGTXVEBCSA-N","25207701",NA,"PDBC50700","801125","Present"
-"NSC801126","","","","","","","","","","","","","","","","","","","","NSC801126","","CC1(C2CCC3(C(C2(CCC1NCCO)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCC6=CC=C(C=C6)O)CO)C)C)C","MGTNLRRVXNVYSH-JEMCJYJNSA-N","49866073",NA,"PDBC50701","801126","Present"
-"NSC801127","","","","","","","","","","","","","","","","","","","","NSC801127","","CC(CN)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)NCCO)C)CO","YYKMHGDAGCVIGJ-WTVAUPGMSA-N","155817359",NA,"PDBC50702","801127","Present"
-"NSC801128","","","","","","","","","","","","","","","","","","","","NSC801128","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)N)C)C(=O)O","ZZWDPHKXZJTXKA-WXCAYEECSA-N","49865912",NA,"PDBC50703","801128","Present"
-"NSC801129","","","","","","","","","","","","","","","","","","","","NSC801129","","CC(CN)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)N)C)CO","ACAQDLZICDQIRG-CVPVQWPCSA-N","155815844",NA,"PDBC50704","801129","Present"
-"NSC801365","","","","","","","","","","","","","","","","","","","","NSC801365","","C1=CC2=C(C=C1NC(=O)CCl)N=CN=C2NC3=C(C=CC(=C3)O)Cl","GVQPPCNXPVHIRJ-UHFFFAOYSA-N","126963311",NA,"PDBC50705","801365","Present"
-"NSC801366","","","","","","","","","","","","","","","","","","","","NSC801366","","CCCS(=O)(=O)NC1=CC=CC(=C1Cl)NC2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","RKAPFXLZYCWYTO-UHFFFAOYSA-N","155815845",NA,"PDBC50706","801366","Present"
-"NSC801367","","","","","","","","","","","","","","","","","","","","NSC801367","","C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","RHKQJFAYOKSMPQ-UHFFFAOYSA-N","155817357",NA,"PDBC50707","801367","Present"
-"NSC801369","","","","","","","","","","","","","","","","","","","","NSC801369","","CCN(C)S(=O)(=O)NC1=CC=CC(=C1Cl)NC2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","ACULJYNVSZTPHA-UHFFFAOYSA-N","155817358",NA,"PDBC50708","801369","Present"
-"NSC801370","","","","","","","","","","","","","","","","","","","","NSC801370","","CC1=NC2=C(C=CC(=C2)NC(=O)CCl)C(=N1)NC3=CC=CC(=C3)C#C","QVHWMODWQFADCP-UHFFFAOYSA-N","155814347",NA,"PDBC50709","801370","Present"
-"NSC801372","","","","","","","","","","","","","","","","","","","","NSC801372","","C#CC1=CC(=CC=C1)NC2=NC(=NC3=C2C=CC(=C3)NC(=O)CCl)Cl","DYZZXRZWGXXMHF-UHFFFAOYSA-N","155812705",NA,"PDBC50710","801372","Present"
-"NSC801407","","","","","","","","","","","","","","","","","","","","NSC801407","","CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)CCOC)C4=C(C=CC=C4Cl)Cl","WUEJFDOJIBRVBJ-UHFFFAOYSA-N","135381349",NA,"PDBC50711","801407","Present"
-"NSC801409","","","","","","","","","","","","","","","","","","","","NSC801409","","CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=CC=C(C=C4)O","CWORZSMRYNSMCN-UHFFFAOYSA-N","135382292",NA,"PDBC50712","801409","Present"
-"NSC801410","","","","","","","","","","","","","","","","","","","","NSC801410","","CS(=O)(=O)C1=CC=CC(=C1)NC2=NC=C3C=C(C=CC3=N2)C4=CC=CC=C4Cl","HMHLUVLAKOYBNP-UHFFFAOYSA-N","135382276",NA,"PDBC50713","801410","Present"
-"NSC801421","","","","","","","","","","","","","","","","","","","","NSC801421","","CC1=CC2=C(C(=NC=C2C=C1)N)C#CC3=C(N=CC(=C3)C(=O)NC4=CC(=C(C=C4)CN5CCN(CC5)C)C(F)(F)F)C","AQADANGGZPJMDZ-UHFFFAOYSA-N","155812471",NA,"PDBC50714","801421","Present"
-"NSC801422","","","","","","","","","","","","","","","","","","","","NSC801422","","CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C=C4C#N)N","JVPCKCAKYWKMEG-UHFFFAOYSA-N","134264336",NA,"PDBC50715","801422","Present"
-"NSC801428","","","","","","","","","","","","","","","","","","","","NSC801428","","COC(=O)C1=C(C2C3C(C1(O2)C(CC4=CC=CC=C4)OC5=CC=CC=C5)O3)C(=O)NC6=CN=CC=C6","FVBNNCPUBSEPOM-UHFFFAOYSA-N","155815578",NA,"PDBC50716","801428","Present"
-"NSC801444","","","","","","","","","","","","","","","","","","","","NSC801444","","CC1=CC(=C(C=C1)NC2=NC34CC(=O)CCC3(C5CCC6(C(C5CC4S2)CCC6=O)C)C)C","GSJGBDUEQIFKJX-PSTCUZNPSA-N","155817101",NA,"PDBC50717","801444","Present"
-"NSC801446","","","","","","","","","","","","","","","","","","","","NSC801446","","CC12CCC3C(C1CCC2=O)CC4C5(C3(CCC(=O)C5)C)N=C(S4)NC6=CC(=CC=C6)F","RWPLISKIJZLARM-GPDNPWSOSA-N","155814073",NA,"PDBC50718","801446","Present"
-"NSC801461","","","","","","","","","","","","","","","","","","","","NSC801461","","C#CCOC1=CC=CC(=C1)C2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","CCACMGGPUJQIOQ-UHFFFAOYSA-N","155812480",NA,"PDBC50719","801461","Present"
-"NSC801463","","","","","","","","","","","","","","","","","","","","NSC801463","","C#CCOC1=CC=CC(=C1)C2=NC=C3C=C(C=CC3=N2)NC(=O)CCl","CVUCEVPWDHLFMQ-UHFFFAOYSA-N","155806230",NA,"PDBC50720","801463","Present"
-"NSC801465","","","","","","","","","","","","","","","","","","","","NSC801465","","C#CCOC1=CC=CC(=C1)NC2=C3C(=NC=N2)N(C=N3)C4CCN(C4)C(=O)CCl","RFJRBHUZVQQNNE-UHFFFAOYSA-N","155810934",NA,"PDBC50721","801465","Present"
-"NSC801585","","","","","","","","","","","","","","","","","","","","NSC801585","","CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CNC5=CC=CC=C54","AAOGEHKCUJIANS-UHFFFAOYSA-N","155807828",NA,"PDBC50722","801585","Present"
-"NSC801590","","","","","","","","","","","","","","","","","","","","NSC801590","","CN1C=C(C2=C1C=CC(=C2)OC)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","LELLTUBLAAGQIK-UHFFFAOYSA-N","155812478",NA,"PDBC50723","801590","Present"
-"NSC801591","","","","","","","","","","","","","","","","","","","","NSC801591","","CN1C=C(C2=C1C=CC(=C2)OC)C3=NC(=CS3)C4=CN(C5=C4C=NC=C5)C","YNMQEWDANNHUQL-UHFFFAOYSA-N","155807836",NA,"PDBC50724","801591","Present"
-"NSC801592","","","","","","","","","","","","","","","","","","","","NSC801592","","C1=CC2=C(C=C1Br)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","LRHHPAKOCRBUAO-UHFFFAOYSA-N","155809392",NA,"PDBC50725","801592","Present"
-"NSC801594","","","","","","","","","","","","","","","","","","","","NSC801594","","CN1C=C(C2=C1C=CC(=C2)Br)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","GGIGHXOHLRBLTM-UHFFFAOYSA-N","155815597",NA,"PDBC50726","801594","Present"
-"NSC801595","","","","","","","","","","","","","","","","","","","","NSC801595","","CN1C=C(C2=C1C=CC(=C2)Br)C3=NC(=CS3)C4=CN(C5=C4C=NC=C5)C","AFANRVDWSJTULV-UHFFFAOYSA-N","155815596",NA,"PDBC50727","801595","Present"
-"NSC801596","","","","","","","","","","","","","","","","","","","","NSC801596","","C1=CC2=C(C=C1F)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","NOWFYKNWHZWMOO-UHFFFAOYSA-N","155817128",NA,"PDBC50728","801596","Present"
-"NSC801597","","","","","","","","","","","","","","","","","","","","NSC801597","","CN1C=C(C2=C1C=CC(=C2)F)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","NTDAGDRBWRSNCD-UHFFFAOYSA-N","155817124",NA,"PDBC50729","801597","Present"
-"NSC801598","","","","","","","","","","","","","","","","","","","","NSC801598","","CN1C=C(C2=C1C=CC(=C2)F)C3=NC(=CS3)C4=CN(C5=C4C=NC=C5)C","QLTRWLNVKSPADX-UHFFFAOYSA-N","155817133",NA,"PDBC50730","801598","Present"
-"NSC801599","","","","","","","","","","","","","","","","","","","","NSC801599","","CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)F","UINSJPBKKDTENP-UHFFFAOYSA-N","155810935",NA,"PDBC50731","801599","Present"
-"NSC801805","","","","","","","","","","","","","","","","","","","","NSC801805","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCSCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","NWCKUXXUYDZNHW-GMINLOHTSA-N","155808012",NA,"PDBC50732","801805","Present"
-"NSC801806","","","","","","","","","","","","","","","","","","","","NSC801806","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CSCSCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","WHEAJXDDDKWLJX-QDZZEHDISA-N","155817315",NA,"PDBC50733","801806","Present"
-"NSC801807","","","","","","","","","","","","","","","","","","","","NSC801807","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CSCCSCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","KMDFCOGDJUKMBH-GMINLOHTSA-N","155808024",NA,"PDBC50734","801807","Present"
-"NSC801832","","","","","","","","","","","","","","","","","","","","NSC801832","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCI","JQEGIOJNESOCIR-FTKJOGDLSA-N","155814253",NA,"PDBC50735","801832","Present"
-"NSC801833","","","","","","","","","","","","","","","","","","","","NSC801833","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)C6=CC=CC=C6","ABYKPBDVHQCKSQ-ZJAGGPIYSA-N","155812624",NA,"PDBC50736","801833","Present"
-"NSC801836","","","","","","","","","","","","","","","","","","","","NSC801836","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C=CC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCI","XGMUHKJDVUWLCR-UBXKAFLBSA-N","155812622",NA,"PDBC50737","801836","Present"
-"NSC801838","","","","","","","","","","","","","","","","","","","","NSC801838","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C=CC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)C6=CC=CC=C6","JXUZLUGWIJYUSL-ITKYZODHSA-N","155814255",NA,"PDBC50738","801838","Present"
-"NSC801839","","","","","","","","","","","","","","","","","","","","NSC801839","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCCCl","XTSBTJZOVUZVTP-LKBGUSNKSA-N","155815745",NA,"PDBC50739","801839","Present"
-"NSC802113","","","","","","","","","","","","","","","","","","","","NSC802113","","CC(C)N1C2=NC=NC(=C2C(=N1)C#CC3=CC(=CC=C3)O)N","HFGDXJQGICLTIE-UHFFFAOYSA-N","44475985",NA,"PDBC50740","802113","Present"
-"NSC802114","","","","","","","","","","","","","","","","","","","","NSC802114","","CC(C)N1C2=NC=NC(=C2C(=N1)C#CC3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)N","NYUZAHPHSBKPPK-UHFFFAOYSA-N","127034964",NA,"PDBC50741","802114","Present"
-"NSC802120","","","","","","","","","","","","","","","","","","","","NSC802120","","CC1=C(C(=CC=C1)NC(=O)C=C)NC2=NC=NC(=C2)C3=C(N=CC=C3)CC4=C(C(=CC(=C4C)OC)OC)C","YUIGFJLJDAZVFL-UHFFFAOYSA-N","155807977",NA,"PDBC50742","802120","Present"
-"NSC802122","","","","","","","","","","","","","","","","","","","","NSC802122","","COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCCCNC(=O)C3CCC3)Br","LSWULXMSBKNGOV-UHFFFAOYSA-N","155812621",NA,"PDBC50743","802122","Present"
-"NSC802181","","","","","","","","","","","","","","","","","","","","NSC802181","","CC(C)OC(=O)OCOP(=O)(C1CCCN(C1=O)O)OCOC(=O)OC(C)C","LOBWXUKHPJNCIT-UHFFFAOYSA-N","155808076",NA,"PDBC50744","802181","Present"
-"NSC802251","","","","","","","","","","","","","","","","","","","","NSC802251","","CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4CCCCC4)OC(=O)C=CC5CCCCC5","NODKBRTWYFBEJQ-OXBSAGKHSA-N","155807855",NA,"PDBC50745","802251","Present"
-"NSC802252","","","","","","","","","","","","","","","","","","","","NSC802252","","CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4CCCCC4)OC(=O)C=C(C)C5=CC=CC=C5","FAUHIVXNXVBMBX-AGWUXBGVSA-N","155809412",NA,"PDBC50746","802252","Present"
-"NSC802253","","","","","","","","","","","","","","","","","","","","NSC802253","","CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4CCCCC4)OC(=O)C5=CC6=CC=CC=C6C=C5","IDLVJHYEYXKECJ-CVLVEMSBSA-N","155815612",NA,"PDBC50747","802253","Present"
-"NSC802254","","","","","","","","","","","","","","","","","","","","NSC802254","","CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4CCCCC4)OC(=O)C5=C(C6=CC=CC=C6C=C5)C","XYBKQGFZZNEMHV-YYIXDMOWSA-N","155806258",NA,"PDBC50748","802254","Present"
-"NSC802356","","","","","","","","","","","","","","","","","","","","NSC802356","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)N)C)CNCCO","XMSXUWDUOAVFOI-CXLFGHKYSA-N","46207708",NA,"PDBC50749","802356","Present"
-"NSC802357","","","","","","","","","","","","","","","","","","","","NSC802357","","CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)N)C)CN","BAXSUWWZWOAEOY-QWAZACGGSA-N","46234092",NA,"PDBC50750","802357","Present"
-"NSC802358","","","","","","","","","","","","","","","","","","","","NSC802358","","CC1(C2CCC3(C(C2(CCC1N)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCC6=CC=C(C=C6)O)COC7CCCCO7)C)C)C","NAGVYUZFWQADHM-PRJIGYKZSA-N","57605941",NA,"PDBC50751","802358","Present"
-"NSC802359","","","","","","","","","","","","","","","","","","","","NSC802359","","CC1(C2CCC3(C(C2(CCC1NCCO)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCC6=CC=C(C=C6)O)COC7CCCCO7)C)C)C","GXEMKHRCUFYTFY-VBVJYJAFSA-N","57605942",NA,"PDBC50752","802359","Present"
-"NSC802360","","","","","","","","","","","","","","","","","","","","NSC802360","","CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)CO","QOBGUGDUMKZVRC-ZLYZMSFYSA-N","11561743",NA,"PDBC50753","802360","Present"
-"NSC802366","","","","","","","","","","","","","","","","","","","","NSC802366","","C1CN(CCN1CCCNC2=C3C=CC(=CC3=NC=C2)Cl)C4=NC(=NC5=CC=CC=C54)N6CCOCC6","BNTJJIRTOQTIGQ-UHFFFAOYSA-N","155806254",NA,"PDBC50754","802366","Present"
-"NSC802367","","","","","","","","","","","","","","","","","","","","NSC802367","","C1CN(CCN1CCCNC2=C3C=CC(=CC3=NC=C2)Cl)C4=NC(=NC5=CC=CC=C54)N6C=CN=C6","QNWLHVAGFZTRPZ-UHFFFAOYSA-N","155809415",NA,"PDBC50755","802367","Present"
-"NSC802535","","","","","","","","","","","","","","","","","","","","NSC802535","","CC=C(C)C(=O)OC1C=C(C(=O)C(C1C(C)C)OC(=O)C2(C(O2)C)C)CO","ABWZXWZSTAKDDW-XFFZJAGNSA-N","155817014",NA,"PDBC50756","802535","Present"
-"NSC802536","","","","","","","","","","","","","","","","","","","","NSC802536","","CC=C(C)C(=O)OC1C=C(C(=O)C(C1C(C)C)OC(=O)C(=CC)C)CO","RSAFYLIOGXTBSD-AJDRMPRJSA-N","155812388",NA,"PDBC50757","802536","Present"
-"NSC802537","","","","","","","","","","","","","","","","","","","","NSC802537","","CC=C(C)C(=O)OC1C=C(C(=O)C(C1C(C)C)OC(=O)C(C)(C(C)Cl)O)CO","HDOKCWOUTBGKGC-XFFZJAGNSA-N","155812394",NA,"PDBC50758","802537","Present"
-"NSC802539","","","","","","","","","","","","","","","","","","","","NSC802539","","CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=C(C=C5)C#N)N","RODXUXKKQSCHHG-UHFFFAOYSA-N","155817019",NA,"PDBC50759","802539","Present"
-"NSC802540","","","","","","","","","","","","","","","","","","","","NSC802540","","CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CN=CC(=C3)C#CC4=C5C=C(C=CC5=CN=C4N)F)C(F)(F)F","AEGYXIUOXYFIMK-UHFFFAOYSA-N","134276774",NA,"PDBC50760","802540","Present"
-"NSC802541","","","","","","","","","","","","","","","","","","","","NSC802541","","CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=C(N=CC5=CC=CC=C54)N","WRMCNIXLWYMNMK-UHFFFAOYSA-N","155813962",NA,"PDBC50761","802541","Present"
-"NSC802542","","","","","","","","","","","","","","","","","","","","NSC802542","","CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=CC5=C4C=CC=N5","UHZAKLGSRFIJQL-UHFFFAOYSA-N","155817016",NA,"PDBC50762","802542","Present"
-"NSC802543","","","","","","","","","","","","","","","","","","","","NSC802543","","CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#CC4=C5C=C(C=CC5=CN=C4N)F)C(F)(F)F","SLJCXPOXCVXGBN-UHFFFAOYSA-N","155807712",NA,"PDBC50763","802543","Present"
-"NSC802544","","","","","","","","","","","","","","","","","","","","NSC802544","","CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=C(C=C5)OC)N","YMWDRTPUVFJGCQ-UHFFFAOYSA-N","155815519",NA,"PDBC50764","802544","Present"
-"NSC802545","","","","","","","","","","","","","","","","","","","","NSC802545","","CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=C(C=C5)F)N","ATUNJVMZHZUMLV-UHFFFAOYSA-N","155813971",NA,"PDBC50765","802545","Present"
-"NSC802546","","","","","","","","","","","","","","","","","","","","NSC802546","","CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=C5C=C(C=CC5=CN=C4N)OC","WOGPXVCJGYCODC-UHFFFAOYSA-N","155817020",NA,"PDBC50766","802546","Present"
-"NSC802547","","","","","","","","","","","","","","","","","","","","NSC802547","","CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=CC=N5)NC6CC6","MAGBYSGWXIGQKT-UHFFFAOYSA-N","155813970",NA,"PDBC50767","802547","Present"
-"NSC802733","","","","","","","","","","","","","","","","","","","","NSC802733","","C(C(=O)NC(=C(Cl)Cl)C#N)Cl","XLBHIDXDGGJQJZ-UHFFFAOYSA-N","1375579",NA,"PDBC50768","802733","Present"
-"NSC802743","","","","","","","","","","","","","","","","","","","","NSC802743","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3)S(=O)C","JNUJXGVBCJMQHA-UHFFFAOYSA-N","121597067",NA,"PDBC50769","802743","Present"
-"NSC802752","","","","","","","","","","","","","","","","","","","","NSC802752","","C1CCN(CC1)S(=O)(=O)N=C2C(=C(Cl)Cl)NC(=O)N2","GZLHUXYYZNJPNC-UHFFFAOYSA-N","155807714",NA,"PDBC50770","802752","Present"
-"NSC802769","","","","","","","","","","","","","","","","","","","","NSC802769","","CC1=CC=C(C=C1)C2=NC3=C(O2)C(=NC(=N3)C4=CC=CC=C4)N5CCNCC5","FOFVPNMYBLVSPD-UHFFFAOYSA-N","132353497",NA,"PDBC50771","802769","Present"
-"NSC802770","","","","","","","","","","","","","","","","","","","","NSC802770","","CC1=CC=C(C=C1)C2=NC3=C(C(=N2)N4CCNCC4)OC(=N3)C5=CC=CC=C5","CDQUXEABLMOZCB-UHFFFAOYSA-N","132353366",NA,"PDBC50772","802770","Present"
-"NSC802771","","","","","","","","","","","","","","","","","","","","NSC802771","","CC1=CC=C(C=C1)C2=NC3=C(C(=N2)N4CCCNCC4)OC(=N3)C5=CC=CC=C5","HOHALZKVJMJAOJ-UHFFFAOYSA-N","132353367",NA,"PDBC50773","802771","Present"
-"NSC802772","","","","","","","","","","","","","","","","","","","","NSC802772","","CC1=CC=C(C=C1)C2=NC3=C(C(=N2)N4CCNCC4)OC(=N3)C5=CC=C(C=C5)C","XPSOODMGZHWOBY-UHFFFAOYSA-N","132353491",NA,"PDBC50774","802772","Present"
-"NSC802773","","","","","","","","","","","","","","","","","","","","NSC802773","","CC1=CC=C(C=C1)C2=NC3=C(C(=N2)N4CCCNCC4)OC(=N3)C5=CC=C(C=C5)C","SSAVOSKJHLZSRV-UHFFFAOYSA-N","132353492",NA,"PDBC50775","802773","Present"
-"NSC802774","","","","","","","","","","","","","","","","","","","","NSC802774","","CC1=CC=C(C=C1)C2=NC3=C(O2)C(=NC(=N3)C4=CC=CC=C4)N5CCCNCC5","HTAXTTRMSSGGNS-UHFFFAOYSA-N","132353498",NA,"PDBC50776","802774","Present"
-"NSC802778","","","","","","","","","","","","","","","","","","","","NSC802778","","COC(=O)C1=C(OC(=N1)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3","NWQOGGVXLYERNN-UHFFFAOYSA-N","60174067",NA,"PDBC50777","802778","Present"
-"NSC802787","","","","","","","","","","","","","","","","","","","","NSC802787","","CC1=CC=C(C=C1)C2=NC(=C(O2)S(=O)(=O)N3C(=CC(=N3)C)N)C#N","CLAYTGBKOGLLMT-UHFFFAOYSA-N","73254066",NA,"PDBC50778","802787","Present"
-"NSC802803","","","","","","","","","","","","","","","","","","","","NSC802803","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3)S(=O)(=O)C","GXCIBHJSAMHGFX-UHFFFAOYSA-N","1188398",NA,"PDBC50779","802803","Present"
-"NSC802943","","","","","","","","","","","","","","","","","","","","NSC802943","","CC1=NC2=C(C(=N1)Cl)SC(=S)N2C3=C(C=C(C=C3)OC)OC","NNKYAHQQRCIKAG-UHFFFAOYSA-N","155807782",NA,"PDBC50780","802943","Present"
-"NSC803051","","","","","","","","","","","","","","","","","","","","NSC803051","","CC1CCN(CC1)C(=O)CS(=O)C2=C(N=C(O2)C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4","FMOHRSUVSYPPRN-UHFFFAOYSA-N","91928007",NA,"PDBC50781","803051","Present"
-"NSC803226","","","","","","","","","","","","","","","","","","","","NSC803226","","C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=NON=C4N=C3","WCHQLPPTQDPOCQ-UHFFFAOYSA-N","145916535",NA,"PDBC50782","803226","Present"
-"NSC803243","","","","","","","","","","","","","","","","","","","","NSC803243","","CC1=NN(C2=C1C(CC(=O)N2)C3=CC(=CC(=C3)OC)OC)C4=NC5=CC=CC=C5N4","ZPRTXSDMQRLNLP-UHFFFAOYSA-N","155807934",NA,"PDBC50783","803243","Present"
-"NSC803281","","","","","","","","","","","","","","","","","","","","NSC803281","","COC1=NC2=CC=CC=C2C=C1C3=NC4=C(C=NN4C5=CC=C(C=C5)Br)C(=O)N3","VEWWTIYTUWYUOJ-UHFFFAOYSA-N","155806352",NA,"PDBC50784","803281","Present"
-"NSC803330","","","","","","","","","","","","","","","","","","","","NSC803330","","C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC=CC=N4)N)O","KEVIXOCDKAKJNS-UHFFFAOYSA-N","155811045",NA,"PDBC50785","803330","Present"
-"NSC803334","","","","","","","","","","","","","","","","","","","","NSC803334","","C1CCCCC2=NC3=C(C=C2CCC1)C(=C(S3)C(=O)NC4=CC=NC=C4)N","NRKAAKJIVBXZDP-UHFFFAOYSA-N","155812579",NA,"PDBC50786","803334","Present"
-"NSC803347","","","","","","","","","","","","","","","","","","","","NSC803347","","CC1=C(C=C2C(=C(SC2=N1)C(=O)NC3=CC=CC=C3)N)C(=O)C4=CC=CC=C4","LHZREZXXLYNSMC-UHFFFAOYSA-N","155807933",NA,"PDBC50787","803347","Present"
-"NSC803349","","","","","","","","","","","","","","","","","","","","NSC803349","","CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=CC(=C(N=C3S2)C)C(=O)C4=CC=CC=C4)N","GJROGSMMNLIADD-UHFFFAOYSA-N","155806353",NA,"PDBC50788","803349","Present"
-"NSC803399","","","","","","","","","","","","","","","","","","","","NSC803399","","CC(C)C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SC)SC4=C3CCC(=O)C4","OLRNAWBEUZPMAO-UHFFFAOYSA-N","155811039",NA,"PDBC50789","803399","Present"
-"NSC803400","","","","","","","","","","","","","","","","","","","","NSC803400","","C1CC2=C(CC1=O)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4","ADNUIPHEVWSZCR-UHFFFAOYSA-N","155809496",NA,"PDBC50790","803400","Present"
-"NSC803415","","","","","","","","","","","","","","","","","","","","NSC803415","","CCCCCCCCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC(=C(C=C2)F)OC","YCJZTTBKSVQCOV-QZWVJJBASA-N","155812445",NA,"PDBC50791","803415","Present"
-"NSC803416","","","","","","","","","","","","","","","","","","","","NSC803416","","CCCCCCCCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC(=C(C=C2)OC)F","FBVGABYLLCDBAS-QZWVJJBASA-N","155809337",NA,"PDBC50792","803416","Present"
-"NSC803417","","","","","","","","","","","","","","","","","","","","NSC803417","","CCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC(=C(C=C2)OC)F","ZVUZFRNDWCIFLX-PPUHSXQSSA-N","155812446",NA,"PDBC50793","803417","Present"
-"NSC803419","","","","","","","","","","","","","","","","","","","","NSC803419","","CCCCCCCCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC=CS2","RJHCCNKAVMJKND-GEPVFLLWSA-N","155812447",NA,"PDBC50794","803419","Present"
-"NSC803420","","","","","","","","","","","","","","","","","","","","NSC803420","","CCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC(=CS2)Br","AUPVFGAHQNAYTG-DIAVIDTQSA-N","155814031",NA,"PDBC50795","803420","Present"
-"NSC803422","","","","","","","","","","","","","","","","","","","","NSC803422","","CCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CSC=C2","XKKLFGGYWORIAV-QSVWIEALSA-N","155809333",NA,"PDBC50796","803422","Present"
-"NSC803423","","","","","","","","","","","","","","","","","","","","NSC803423","","CCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC3=CC=CC=C3S2","XBTSZRDQPPAQLZ-CGHJUBPDSA-N","155809331",NA,"PDBC50797","803423","Present"
-"NSC803428","","","","","","","","","","","","","","","","","","","","NSC803428","","CC(=C(C1=CC=C(C=C1)OCCN2CCOCC2)C3=CC=C(C=C3)OC(=O)CC4=CC=CC=C4)CC5=CC=C(C=C5)OC","BSFWPRAHSKXEJN-PNFNHJRFSA-N","155809334",NA,"PDBC50798","803428","Present"
-"NSC803434","","","","","","","","","","","","","","","","","","","","NSC803434","","CCCCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=CC=C2)C3=CC=C(C=C3)OCCN(CC)CC","YSBKNCDNTTYJOL-MUGXBBEHSA-N","155807760",NA,"PDBC50799","803434","Present"
-"NSC803462","","","","","","","","","","","","","","","","","","","","NSC803462","","CC(C)(CCN=C(N)NC1=NC=C(C(=C1)OC)C#N)OC2=CC=C(C=C2)C(F)(F)F","TUTJYQWLSMKYBY-UHFFFAOYSA-N","155809363",NA,"PDBC50800","803462","Present"
-"NSC803463","","","","","","","","","","","","","","","","","","","","NSC803463","","CC(C)(CCN=C(N)NC1=NC=C(C(=C1)OC)C#N)C2=CC=C(C=C2)C(F)(F)F","TZYFFYLWWVUYDK-UHFFFAOYSA-N","155810912",NA,"PDBC50801","803463","Present"
-"NSC803573","","","","","","","","","","","","","","","","","","","","NSC803573","","C#CCOC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C=N3)C4CCN(C4)C(=O)CCl","CJXQXZFTLPZYON-UHFFFAOYSA-N","155811078",NA,"PDBC50802","803573","Present"
-"NSC803574","","","","","","","","","","","","","","","","","","","","NSC803574","","C#CCN1C=NC2=CN=C(N=C21)NC3=CC(=CC=C3)NC(=O)CCl","KTERZCYXZJSTFL-UHFFFAOYSA-N","155809546",NA,"PDBC50803","803574","Present"
-"NSC803577","","","","","","","","","","","","","","","","","","","","NSC803577","","CC(C(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)OC#C)Cl","QMICQAHUVVTLMY-LBPRGKRZSA-N","155812627",NA,"PDBC50804","803577","Present"
-"NSC803578","","","","","","","","","","","","","","","","","","","","NSC803578","","C#COC1=CC=CC(=C1)NC2=C3C=C(C=NC3=NC=C2C#N)NC(=O)CCl","GNVRCAPNJKWNIZ-UHFFFAOYSA-N","155806400",NA,"PDBC50805","803578","Present"
-"NSC803580","","","","","","","","","","","","","","","","","","","","NSC803580","","C#COC1=CC=CC(=C1)NC2=NC=NC3=C2C=C(C=N3)NC(=O)CCl","IGCHCNRJHJPBDV-UHFFFAOYSA-N","155809547",NA,"PDBC50806","803580","Present"
-"NSC803582","","","","","","","","","","","","","","","","","","","","NSC803582","","CC(C(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)OC#C)Cl","QMICQAHUVVTLMY-GFCCVEGCSA-N","155814261",NA,"PDBC50807","803582","Present"
-"NSC803713","","","","","","","","","","","","","","","","","","","","NSC803713","","COC1=CC2=C3C(CN(C3=CC(=C2C=C1)O)C(=O)C4=CC5=C([Se]4)C=CC(=C5)NC(=O)CCN6CCOCC6)CCl","PXIFGRYDHZKICB-LJQANCHMSA-N","155807738",NA,"PDBC50808","803713","Present"
-"NSC808507","","","","","","","","","","","","","","","","","","","","NSC808507","","C1C(C(C(C1N2C=CC3=C(N=CN=C32)N)O)O)CCC4=CC5=NC(=C(C=C5C=C4)Br)N","DBSMLQTUDJVICQ-CJODITQLSA-N","126637809",NA,"PDBC50809","808507","Present"
-"NSC810341","","","","","","","","","","","","","","","","","","","","NSC810341","","CN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)OCC4CN(CC4OC)C(=O)C=C","ODMXWZROLKITMS-RISCZKNCSA-N","71535003",NA,"PDBC50810","810341","Present"
-"NSC8179","","","","","","","","","","","","","","","","","","","","NSC8179","","C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N","RUQGXFJIPMDCFD-UHFFFAOYSA-N","222304",NA,"PDBC50811","8179","Present"
-"NSC83391","","","","","","","","","","","","","","","","","","","","NSC83391","","C1CN2CCC1C(C2)OC(=O)CC(=O)C3=CC=CC=C3.Cl","UXQAKRIBMKLWLQ-UHFFFAOYSA-N","54605750",NA,"PDBC50812","83391","Present"
-"NSC85431","","","","","","","","","","","","","","","","","","","","NSC85431","","CC(C)NCCC(C1=CC2=CC=CC=C2O1)O.Cl","PFDDMHZCNBWNGC-UHFFFAOYSA-N","54605766",NA,"PDBC50813","85431","Present"
-"NSC87119","","","","","","","","","","","","","","","","","","","","NSC87119","","CC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)O.Cl","COCDSXRZORLFFI-UHFFFAOYSA-N","24189274",NA,"PDBC50814","87119","Present"
-"NSC89133","","","","","","","","","","","","","","","","","","","","NSC89133","","","","",NA,"PDBC50815","89133","Present"
-"NSC89166","","","","","","","","","","","","","","","","","","","","NSC89166","","C1=CC=C(C(=C1)N)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O.[Na+].[Na+]","XWUFGUKTDBHIOL-UHFFFAOYSA-N","135534492",NA,"PDBC50816","89166","Present"
-"NSC90328","","","","","","","","","","","","","","","","","","","","NSC90328","","C[N+](C)(C)C1=NC=NC2=C1N=CN2C3CC(C(O3)CO)O.[Cl-]","UEJPGAZZGKUBFY-UHFFFAOYSA-M","5351913",NA,"PDBC50817","90328","Present"
-"NSC90567","","","","","","","","","","","","","","","","","","","","NSC90567","","C1=CN=C(N=C1)CC(C(=O)O)N.Cl","AXHDFXXSOYSLBA-UHFFFAOYSA-N","54606282",NA,"PDBC50818","90567","Present"
-"NSC90615","","","","","","","","","","","","","","","","","","","","NSC90615","","CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)Cl)Cl)C.[Na+]","MUYULFOSMQESAZ-WKSAPEMMSA-N","54606297",NA,"PDBC50819","90615","Present"
-"NSC90798","","","","","","","","","","","","","","","","","","","","NSC90798","","CC(=NC(C(=O)O)C(C)(C)S)C.Cl","DFUCULZNQNWMLJ-UHFFFAOYSA-N","54603994",NA,"PDBC50820","90798","Present"
-"NSC90829","","","","","","","","","","","","","","","","","","","","NSC90829","","CC(C)(C)C1CCC2(CC1)CCN(CC2)CCCN3CCOCC3.Cl","IBNZTMMORJMASS-UHFFFAOYSA-N","54606301",NA,"PDBC50821","90829","Present"
-"NSC92412","","","","","","","","","","","","","","","","","","","","NSC92412","","C1=CC=C2C(=C1)C(=CC2=CC3=CC=NC=C3)C(C4=CC=NC=C4)O","JTMFJLXJCCVSIM-GHRIWEEISA-N","5380355",NA,"PDBC50822","92412","Present"
-"NSC95011","","","","","","","","","","","","","","","","","","","","NSC95011","","C1=C(C(=O)NC(=O)N1)CS(=O)(=O)CC2=CNC(=O)NC2=O","URMHILYYFZOYSQ-UHFFFAOYSA-N","261929",NA,"PDBC50823","95011","Present"
-"NSC95503","","","","","","","","","","","","","","","","","","","","NSC95503","","C[N+]1(CCC2CCC(C2)C1)CCC(=O)C3=CC=CC=C3.[Cl-]","NHLZUZPDCOAJCP-UHFFFAOYSA-M","24189720",NA,"PDBC50824","95503","Present"
-"NSC95570","","","","","","","","","","","","","","","","","","","","NSC95570","","C1CC2CCC1CN(C2)CCC(=O)C3=CC=CS3.Cl","JNUUKXSQHOLJMP-UHFFFAOYSA-N","24189767",NA,"PDBC50825","95570","Present"
-"NSC96491","","","","","","","","","","","","","","","","","","","","NSC96491","","CCN1CCCCC(=NO)C(=NO)CCCC1","RAKNVXNDFBGSEL-PHEQNACWSA-N","135488975",NA,"PDBC50826","96491","Present"
-"NSC97879","","","","","","","","","","","","","","","","","","","","NSC97879","","CC[N+](CC)(CCNCC(=O)N)CC(=O)N.[Cl-]","NCBKQEXLUKFYIL-UHFFFAOYSA-N","24189885",NA,"PDBC50827","97879","Present"
-"NSC97885","","","","","","","","","","","","","","","","","","","","NSC97885","","CC1=C(C=C(C=C1)C(=N[N+](C)(C)C)C)C.[I-]","LQJUEFUDAGGIOP-UNGNXWFZSA-M","5459342",NA,"PDBC50828","97885","Present"
-"NSC97886","","","","","","","","","","","","","","","","","","","","NSC97886","","CCOC1=C(C=C(C=C1)C=N[N+](C)(C)C)OCC.[I-]","JDARWYYMJDXADG-KRWCAOSLSA-M","9570977",NA,"PDBC50829","97886","Present"
-"NSC97888","","","","","","","","","","","","","","","","","","","","NSC97888","","C[N+](C)(C)CC(=O)NN=CC1=CC(=C(C(=C1)OC)OC)OC.[Cl-]","ALCHWRXKFZPVCI-LFMIJCLESA-N","6435675",NA,"PDBC50830","97888","Present"
-"NSC98946","","","","","","","","","","","","","","","","","","","","NSC98946","","CC(=O)NC1=NC=C(C=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O","UUBFNFFHSLNZAI-UHIISALHSA-N","264087",NA,"PDBC50831","98946","Present"
-"NSC99526","","","","","","","","","","","","","","","","","","","","NSC99526","","CC1=CC=CC=C1C(=N)C2=CC=CC=C2CC3=CC=CC4=CC=CC=C43.Cl","YVQMKABBTDQTBC-UHFFFAOYSA-N","24190000",NA,"PDBC50832","99526","Present"
-"NTRC-0066-0","","","","","","","","","","","","","","","","","","","","NTRC-0066-0","","CCC1=C(C(=CC=C1)CC)NC(=O)C2=C3CCC4=CN=C(N=C4N3C=C2)NC5=C(C=C(C=C5)N6CCN(CC6)C)OC","HGEIUFJVGHMGRR-UHFFFAOYSA-N","122632882",NA,"PDBC50833","794589","Present"
-"NU 9611-29","","","","","","","","","","","","","","","","","","","","NU 9611-29","","CC1C2=CC(=C(C=C2CC(N1)C(=O)O)O)O","DMJYNLHZLIZUQE-UHFFFAOYSA-N","162692",NA,"PDBC50834","157943","Present"
-"NUCVRSVMWQIEPX-MDZDMXLPSA-N","","","","","","","","","","","","","","","","","","","","NUCVRSVMWQIEPX-MDZDMXLPSA-N","","CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)[N+](=O)[O-])CCl)C","NUCVRSVMWQIEPX-MDZDMXLPSA-N","5469644",NA,"PDBC50835","691243","Present"
-"NUGXXGLKPAJMEO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","NUGXXGLKPAJMEO-UHFFFAOYSA-N","","CCN1C(=O)C(C(=O)NC1=O)(C)N2C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F","NUGXXGLKPAJMEO-UHFFFAOYSA-N","24765668",NA,"PDBC50836","748722","Present"
-"NWSIKXMQUQTYMS-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","NWSIKXMQUQTYMS-UHFFFAOYSA-N","","CC(C)C1C(C(=C(O1)N)C#N)(C#N)C#N","NWSIKXMQUQTYMS-UHFFFAOYSA-N","387792",NA,"PDBC50837","681864","Present"
-"NYGUYYAVMUERTC-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","NYGUYYAVMUERTC-UHFFFAOYSA-N","","C1COS(=O)(=O)C(S(=O)(=O)O1)C(=O)C2=CC3=CC=CC=C3C=C2","NYGUYYAVMUERTC-UHFFFAOYSA-N","386595",NA,"PDBC50838","679045","Present"
-"NZGYKRZCFKSQDV-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","NZGYKRZCFKSQDV-UHFFFAOYSA-N","","CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C#N","NZGYKRZCFKSQDV-UHFFFAOYSA-N","375633",NA,"PDBC50839","655455","Present"
-"Nagilactone","","","","","","","","","","","","","","","","","","","","Nagilactone C","","CC(C)C1=C2C(C3C4C(C(C5C(C4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O","DGNOPGIIPQKNHD-UHFFFAOYSA-N","319648",NA,"PDBC50840","211500","Present"
-"Nakafuran-8","","","","","","","","","","","","","","","","","","","","Nakafuran-8","","CC1CC2C=C(C1(CCC3=C2OC=C3)C)C","ONWLIEGVFPRFSF-UHFFFAOYSA-N","360241",NA,"PDBC50841","622261","Present"
-"Naltrexonazine","","","","","","","","","","","","","","","","","","","","Naltrexonazine","","C1CC1CN2CCC34C5C(=NN=C6CCC7(C8CC9=C1C7(C6OC1=C(C=C9)O)CCN8CC1CC1)O)CCC3(C2CC1=C4C(=C(C=C1)O)O5)O","GSYDZKZBXPTRGD-UHFFFAOYSA-N","356432",NA,"PDBC50842","612112","Present"
-"Nampt-IN-1","","","","","","","","","","","","","","","","","","","","LY-3154567","","CC(C)(CS(=O)(=O)NC1=CC2=C(CN(CC2)C(=O)COC3=CN=CC=C3)C=C1)O","QHHSCLARESIWBH-UHFFFAOYSA-N","92044379",NA,"PDBC50843","789099","Present"
-"Nanaomycin A","","","","","","","","","","","","","","","","","","","","Nanaomycin","","CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O","ZCJHPTKRISJQTN-UHFFFAOYSA-N","40586",NA,"PDBC50844","267461","Present"
-"Nandrolone phenpropionate","","","","","","","","","","","","","","","","","","","","Nandrolone phenpropionate","","CC12CCC3C(C1CCC2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CCC35","UBWXUGDQUBIEIZ-QNTYDACNSA-N","229455",NA,"PDBC50845","23162","Present"
-"Naphth[2, 2-methyl-4-[4-(4-morpholinyl)phenylimino]-","","","","","","","","","","","","","","","","","","","","Naphth[2,3-d]oxazol-9(4H)-one, 2-methyl- 4-[4-(4-morphol...","","CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4=CC=C(C=C4)N5CCOCC5","HLXGNWJHGGFISJ-UHFFFAOYSA-N","386916",NA,"PDBC50846","679822","Present"
-"Naphth[2, 4-[(2-aminocyclohexyl) imino]-2-methyl-, acetate","","","","","","","","","","","","","","","","","","","","Naphth[2,3-d]oxazol-9(4H)-one, 4-[(2-aminocyclohexyl) im...","","CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4CCCCC4N.CC(=O)O","YUGLXSHZXGQZAX-UHFFFAOYSA-N","388014",NA,"PDBC50847","682436","Present"
-"Naphth[2,3-c]isoxazole, 1,4,4a,5,6,7,8,8a,9,9a-decahydro-4-(4-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","Naphth[2,3-c]isoxazole, 1,4,4a,5,6,7,8,8a,9,9a-decahydro-4-(4-methoxyphenyl)-","","COC1=CC=C(C=C1)C2C3CCCCC3CC4C2=CON4","LVPHVOFUBSPBDK-UHFFFAOYSA-N","383214",NA,"PDBC50848","671330","Present"
-"Naphth[2,3-d]oxazol-4-one, 2-(1,1-dimethylethyl)-9-[(4-fluorophenyl)imino]-","","","","","","","","","","","","","","","","","","","","Naphth[2,3-d]oxazol-4-one, 2-(1,1-dimethylethyl)-9-[(4- ...","","CC(C)(C)C1=NC2=C(O1)C(=NC3=CC=C(C=C3)F)C4=CC=CC=C4C2=O","JHMXSOFFBBXSEB-UHFFFAOYSA-N","362345",NA,"PDBC50849","626030","Present"
-"Naphth[2,3-f]isoquinoline-3(2H)-carboxylic acid, 1,4,6,7,12,12b-hexahydro-5,6-dimethyl-7,12-dioxo-, 2-methylpropyl ester","","","","","","","","","","","","","","","","","","","","Isobutyl 5,6-dimethyl-7,12-dioxo-2,4,6,12b-tetrahydro-1H-naphtho[2,3-f]isoquinoline-3-carboxylate","","CC1C(=C2CN(CCC2C3=C1C(=O)C4=CC=CC=C4C3=O)C(=O)OCC(C)C)C","QFENZYCUJSYIED-UHFFFAOYSA-N","378544",NA,"PDBC50850","661178","Present"
-"Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate","","","","","","","","","","","","","","","","","","","","Z1603789400","","CN1C=NC(=C1S(=O)(=O)OC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]","SFAMFMRSBAURBQ-UHFFFAOYSA-N","236065",NA,"PDBC50851","38090","Present"
-"Naphthalen-1-yl-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)methanone","","","","","","","","","","","","","","","","","","","","Naphthalen-1-yl(2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methanone","","C1COS(=O)(=O)C(S(=O)(=O)O1)C(=O)C2=CC=CC3=CC=CC=C32","GVBOTAJHEWWOEP-UHFFFAOYSA-N","386597",NA,"PDBC50852","679047","Present"
-"Naphthalen-1-ylmethyl N,N'-dioctylcarbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","Naphthalen-1-ylmethyl N,N'-dioctylcarbamimidothioate;hydrochloride","","CCCCCCCCNC(=NCCCCCCCC)SCC1=CC=CC2=CC=CC=C21.Cl","WRTZVQIEXDVSPZ-UHFFFAOYSA-N","54603590",NA,"PDBC50853","65466","Present"
-"Naphthalene, 1,4-bis(oxiranylmethoxy)-","","","","","","","","","","","","","","","","","","","","Naphthalene, 1,4-bis(oxiranylmethoxy)-","","C1C(O1)COC2=CC=C(C3=CC=CC=C32)OCC4CO4","RHYLFJIYMVTKQO-UHFFFAOYSA-N","384118",NA,"PDBC50854","673347","Present"
-"Naphthalene,3-dimethoxy-6-(2-nitroethenyl)-","","","","","","","","","","","","","","","","","","","","Naphthalene, 2,3-dimethoxy-6-(2-nitroethenyl)-","","COC1=C(C=C2C=C(C=CC2=C1)C=C[N+](=O)[O-])OC","YBDAKNRCMRSZFU-WAYWQWQTSA-N","5358372",NA,"PDBC50855","245456","Present"
-"Naphthalene-1, 2-chloro-5,8-dihydroxy-3-(2-methoxyethoxy)-","","","","","","","","","","","","","","","","","","","","Naphthalene-1,4-dione, 2-chloro-5,8-dihydroxy- 3-(2-meth...","","COCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl","QJOZREARNBJXFO-UHFFFAOYSA-N","135409147",NA,"PDBC50856","659997","Present"
-"Naphthalene-2-methanamine,N'-(1,6-hexanediyl)bis[6-methoxy-, hydrochloride","","","","","","","","","","","","","","","","","","","","Naphthalene-2-methanamine, N,N'-(1,6-hexanediyl)bis[6-me...","","COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCNCC3=CC4=C(C=C3)C=C(C=C4)OC.Cl","DZSSFRNBJPPXSJ-UHFFFAOYSA-N","385310",NA,"PDBC50857","676426","Present"
-"Naphtho(1,2-b)quinolizinium, 13-methyl-, chloride","","","","","","","","","","","","","","","","","","","","Naphtho[1,2-b]quinolizinium, 13-methyl-, chloride","","CC1=C2C(=C[N+]3=CC=CC=C13)C=CC4=CC=CC=C42.[Cl-]","KZMZPJUNOIINPX-UHFFFAOYSA-M","21144197",NA,"PDBC50858","39310","Present"
-"Naphtho(2,1-b)furan, 4-methoxy-2-nitro-","","","","","","","","","","","","","","","","","","","","4-Methoxy-2-nitronaphtho[2,1-b]furan","","COC1=CC2=CC=CC=C2C3=C1OC(=C3)[N+](=O)[O-]","FJXJAAFKONAPKR-UHFFFAOYSA-N","100603",NA,"PDBC50859","329226","Present"
-"Naphtho(2,3-c)(1,2,5)selenadiazole","","","","","","","","","","","","","","","","","","","","4,5-Benzopiazselenol","","C1=CC2=CC3=N[Se]N=C3C=C2C=C1","NGFDKIDHNOEGFK-UHFFFAOYSA-N","357321",NA,"PDBC50860","615555","Present"
-"Naphtho[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione","","","","","","","","","","","","","","","","","","","","Naphtho[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione","","C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=CC=NC4=N3","GKTWMKZOHJRQNH-UHFFFAOYSA-N","15760733",NA,"PDBC50861","795135","Present"
-"Naphtho[1, 10,13-dimethyl-chloride","","","","","","","","","","","","","","","","","","","","naphtho[1,2-b]quinolizinium, 10,13-dimethyl- chloride","","CC1=C[N+]2=C(C=C1)C(=C3C(=C2)C=CC4=CC=CC=C43)C.[Cl-]","MAIGGFGOVPYCPM-UHFFFAOYSA-M","20245316",NA,"PDBC50862","78629","Present"
-"Naphtho[1, 3,13-dimethyl-perchlorate","","","","","","","","","","","","","","","","","","","","Naphtho[1,2-b]quinolizinium, 3,13-dimethyl- perchlorate","","CC1=CC2=C(C=C1)C3=C(C4=CC=CC=[N+]4C=C3C=C2)C.[O-]Cl(=O)(=O)=O","AXTOSAHNNDYMRB-UHFFFAOYSA-M","21144373",NA,"PDBC50863","93868","Present"
-"Naphtho[1, 9-methyl-, bromide","","","","","","","","","","","","","","","","","","","","Naphtho[1,2-b]quinolizinium, 9-methyl-, bromide","","CC1=[N+]2C=C3C=CC4=CC=CC=C4C3=CC2=CC=C1.[Br-]","MNRUFPOWYUXULY-UHFFFAOYSA-M","21144314",NA,"PDBC50864","77810","Present"
-"Naphtho[1,2-c]furan-3(1H)-one, 1-(2-methylphenyl)-","","","","","","","","","","","","","","","","","","","","Naphtho[1,2-c]furan-3(1H)-one, 1-(2-methylphenyl)-","","CC1=CC=CC=C1C2C3=C(C=CC4=CC=CC=C43)C(=O)O2","XXPUUWFQVADCRG-UHFFFAOYSA-N","362113",NA,"PDBC50865","625642","Present"
-"Naphtho[1,2-c]isochromene-6,11,12-trione","","","","","","","","","","","","","","","","","","","","Naphtho[1,2-c]isochromene-6,11,12-trione","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C(=O)C3=O)OC2=O","HADYLAXKAMXPFV-UHFFFAOYSA-N","401275",NA,"PDBC50866","714530","Present"
-"Naphtho[1,2-d]thiazol-2-amine","","","","","","","","","","","","","","","","","","","","2-aminonaphthiazole","","C1=CC=C2C(=C1)C=CC3=C2N=C(S3)N","FECQXVPRUCCUIL-UHFFFAOYSA-N","94880",NA,"PDBC50867","6278","Present"
-"Naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone, 1,3-dimethyl-","","","","","","","","","","","","","","","","","","","","Naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone...","","CN1C2=C(C(=O)N(C1=O)C)N=C3N2C4=C(S3)C(=O)C5=CC=CC=C5C4=O","UKEMTDWFWSMKLU-UHFFFAOYSA-N","366232",NA,"PDBC50868","634568","Present"
-"Naphtho[2, 3,3a,4,9-tetrahydro-4-(4-fluorophenyl)-6,7-dimethoxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-c]furan-1(9a)-one, 3,3a,4,9-tetrahydro-4- (4...","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC(=C(C=C24)OC)OC)NC5=CC=C(C=C5)F","CSADSJIFHRWKJO-LYJLOTJCSA-N","369962",NA,"PDBC50869","642329","Present"
-"Naphtho[2, 5-chloro-7-methyl-perchlorate","","","","","","","","","","","","","","","","","","","","Naphtho[2,1-b]quinolizinium, 5-chloro-7-methyl- perchlorate","","CC1=C2C=C(C3=CC=CC=C3C2=C[N+]4=CC=CC=C14)Cl.[O-]Cl(=O)(=O)=O","QRRUVNQIBKBGBN-UHFFFAOYSA-M","21144372",NA,"PDBC50870","93866","Present"
-"Naphtho[2, 7,10-dimethyl-perchlorate","","","","","","","","","","","","","","","","","","","","Naphtho[2,1-b]quinolizinium, 7,10-dimethyl- perchlorate","","CC1=C[N+]2=C(C=C1)C(=C3C=CC4=CC=CC=C4C3=C2)C.[O-]Cl(=O)(=O)=O","HATVKTFKFQUYGO-UHFFFAOYSA-M","21144325",NA,"PDBC50871","78627","Present"
-"Naphtho[2, 7-methyl-chloride","","","","","","","","","","","","","","","","","","","","Naphtho[2,1-b]quinolizinium, 7-methyl- chloride","","CC1=C2C=CC3=CC=CC=C3C2=C[N+]4=CC=CC=C14.[Cl-]","OAEOGZIDLGRMNN-UHFFFAOYSA-M","5351151",NA,"PDBC50872","28002","Present"
-"Naphtho[2,1-g][1,3]benzodioxol-6-ylmethanol","","","","","","","","","","","","","","","","","","","","Phenanthro[3,4-d][1,3]dioxol-6-ylmethanol","","C1OC2=C(O1)C3=C(C=C2)C(=CC4=CC=CC=C43)CO","XZQBYAHIOGJMSW-UHFFFAOYSA-N","278269",NA,"PDBC50873","127682","Present"
-"Naphtho[2,3-b][1]benzofuran-2,6-diol","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-b][1]benzofuran-2,6-diol","","C1=CC=C2C(=C1)C=C3C4=C(C=CC(=C4)O)OC3=C2O","UFWRXRXIYVWMBV-UHFFFAOYSA-N","404488",NA,"PDBC50874","720724","Present"
-"Naphtho[2,3-d][1,3]dioxole-6-carbonitrile","","","","","","","","","","","","","","","","","","","","4252AE","","C1OC2=C(O1)C=C3C=C(C=CC3=C2)C#N","IKDFUPGVIMSEPZ-UHFFFAOYSA-N","359184",NA,"PDBC50875","619866","Present"
-"Naphtho[2,3-d]thiazole-2-acetonitrile, 4,9-dihydro-4,9-dioxo-","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-d]thiazole-2-acetonitrile, 4,9-dihydro-4,9-dioxo-","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)CC#N","CSOZZEDPKBFLCX-UHFFFAOYSA-N","364766",NA,"PDBC50876","631525","Present"
-"Naphtho[2,3-f]quinoxaline-2-propanamide, 7,12-dihydro-3-hydroxy-N-(2-nitrophenyl)-alpha,7,12-trioxo-","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-f]quinoxaline-2-propanamide, 7,12-dihydro-3-hydroxy-N-(2-nitrophenyl)-alpha,7,12-trioxo-","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=O)C(=N4)CC(=O)C(=O)NC5=CC=CC=C5[N+](=O)[O-]","JLBSZAPOFLSMGO-UHFFFAOYSA-N","369560",NA,"PDBC50877","641424","Present"
-"Naphtho[2,3-f]quinoxaline-7,12-dione, 3-hydroxy-2-methyl-","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-f]quinoxaline-7,12-dione, 3-hydroxy-2-methyl-","","CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC1=O","CHJRTDIKLLMQPI-UHFFFAOYSA-N","371563",NA,"PDBC50878","645892","Present"
-"Naphtho[2,9-dione, 7-chloro-1,2-dihydro-5-hydroxy-2-methoxy-2,4-dimethyl-","","","","","","","","","","","","","","","","","","","","Naphtho[2,1-b]furan-6,9-dione, 7-chloro-1,2-dihydro- 5-h...","","CC1=C(C2=C(C3=C1OC(C3)(C)OC)C(=O)C=C(C2=O)Cl)O","HJXSUKIKUHSBNY-UHFFFAOYSA-N","359534",NA,"PDBC50879","620517","Present"
-"Naphtho[3,2-c]isochromene-5,7,12-trione","","","","","","","","","","","","","","","","","","","","Naphtho[3,2-c]isochromene-5,7,12-trione","","C1=CC=C2C(=C1)C3=C(C(=O)C4=CC=CC=C4C3=O)OC2=O","NMRZDDJVDUKASA-UHFFFAOYSA-N","401276",NA,"PDBC50880","714531","Present"
-"Naphthochrome green","","","","","","","","","","","","","","","","","","","","naphthochrome green///NSC610938","","C1=CC=C(C=C1)C(=C2C=C(C(=O)C3=CC=CC=C32)C(=O)O)C4=CC(=C(C5=CC=CC=C54)O)C(=O)O.[Na+]","MHDPEMTVXWNYAP-OSMRDGEFSA-N","54602068",NA,"PDBC50881","326211///610938","Present"
-"Naphthol AS-BI","","","","","","","","","","","","","","","","","","","","Naphthol AS-BI","","COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)O","JIEINYQEXWLMCU-UHFFFAOYSA-N","71060",NA,"PDBC50882","367089","Present"
-"Naphthopurpurin","","","","","","","","","","","","","","","","","","","","Naphthopurpurin","","C1=CC(=C2C(=C1O)C(=CC(=O)C2=O)O)O","FNABIKRLYLYSGJ-UHFFFAOYSA-N","376951",NA,"PDBC50883","658146","Present"
-"Naphthylazoxine","","","","","","","","","","","","","","","","","","","","Naphthylazoxine","","C1=CC=C2C(=C1)C=CC=C2N=NC3=CC(=C4C=CC=NC4=C3O)S(=O)(=O)O","GTBQEEPPEWJTGD-UHFFFAOYSA-N","98565",NA,"PDBC50884","148354","Present"
-"Naphtoindol","","","","","","","","","","","","","","","","","","","","Naphtoindol","","CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1CC5=CC=CC=C5)O)C#N","SIKRMAJJHIOIJU-UHFFFAOYSA-N","45027979",NA,"PDBC50885","740469","Present"
-"Naquotinib","","","","","","","","","","","","","","","","","","","","naquotinib","","CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC5CCN(C5)C(=O)C=C","QKDCLUARMDUUKN-XMMPIXPASA-N","71667668",NA,"PDBC50886","793322","Present"
-"Narceine imide","","","","","","","","","","","","","","","","","","","","Narceine imide","","CN(C)CCC1=CC2=C(C(=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OC)OCO2","FNVOXTXQQPJYRS-WJDWOHSUSA-N","5459241",NA,"PDBC50887","657324","Present"
-"Narciprimine","","","","","","","","","","","","","","","","","","","","Narciprimine","","C1OC2=C(O1)C(=C3C(=C2)C4=C(C(=CC=C4)O)NC3=O)O","PEOASDPEDCJOME-UHFFFAOYSA-N","5387508",NA,"PDBC50888","624394","Present"
-"Nargenicin A","","","","","","","","","","","","","","","","","","","","NARGENICIN A","","CC1C=C(C23C(CC(C(=O)OC1C(C)O)OC)C=CC4C2C(C(C(C4O3)OC(=O)C5=CC=CN5)C)O)C","YEUSSARNQQYBKH-KAMYIIQDSA-N","5458814",NA,"PDBC50889","355066","Present"
-"Naringenin trimethyl ether","","","","","","","","","","","","","","","","","","","","5, 7, 4' Trimethoxy Flavanone","","COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC","MQFSCAHSIUPLSB-UHFFFAOYSA-N","5003667",NA,"PDBC50890","735006","Present"
-"Naviculyl Caffeate","","","","","","","","","","","","","","","","","","","","Naviculyl Caffeate","","CC1CCC2(C1(CCC(=CCOC(=O)C=CC3=CC(=C(C=C3)O)O)C2C)C)C","AFTXHVWTXMMGNO-KWMWQKORSA-N","5471279",NA,"PDBC50891","710204","Present"
-"Nazartinib","","","","","","","","","","","","","","","","","","","","EGF-816","","CC1=NC=CC(=C1)C(=O)NC2=NC3=C(N2C4CCCCN(C4)C(=O)C=CCN(C)C)C(=CC=C3)Cl","IOMMMLWIABWRKL-WUTDNEBXSA-N","72703790",NA,"PDBC50892","787027","Present"
-"Nedisertib","","","","","","","","","","","","","","","","","","","","nedisertib","","COC1=NN=C(C=C1)C(C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)Cl)O","MOWXJLUYGFNTAL-DEOSSOPVSA-N","86292849",NA,"PDBC50893","802822","Present"
-"Neem AN AB (Leaf extract)","","","","","","","","","","","","","","","","","","","","Neem AN AB (Leaf extract)","","","","",NA,"PDBC50894","638505","Present"
-"Neem SL AB (Leaf extract)","","","","","","","","","","","","","","","","","","","","Neem SL AB (Leaf extract)","","","","",NA,"PDBC50895","638506","Present"
-"Neem SL C (Leaf extract)","","","","","","","","","","","","","","","","","","","","Neem SL C (Leaf extract)","","","","",NA,"PDBC50896","638507","Present"
-"Neferine","","","","","","","","","","","","","","","","","","","","Neferine","","CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC","MIBATSHDJRIUJK-UHFFFAOYSA-N","398793",NA,"PDBC50897","708929","Present"
-"Neflamapimod","","","","","","","","","","","","","","","","","VX-745","","","","","","","3038525",NA,"PDBC50898","","Absent"
-"Neo-Oxyberberine","","","","","","","","","","","","","","","","","","","","Neo-Oxyberberine","","COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)O)OC","WPQJUYMGQNBENF-UHFFFAOYSA-O","3620787",NA,"PDBC50899","123390","Present"
-"Neo-tanshinlactone","","","","","","","","","","","","","","","","","","","","Neo-tanshinlactone","","CC1=C2C=CC3=C(C2=CC=C1)OC(=O)C4=C3OC=C4C","LGZUUBFLEYOEEX-UHFFFAOYSA-N","10264769",NA,"PDBC50900","734927","Present"
-"Neoamphimedine","","","","","","","","","","","","","","","","","","","","Neoamphimedine","","CN1C=CC2=C(C1=O)C(=O)C3=NC=CC4=C3C2=NC5=CC=CC=C45","HHTUKGISODJJKH-UHFFFAOYSA-N","10041259",NA,"PDBC50901","759023","Present"
-"Neoarq","","","","","","","","","","","","","","","","","","","","neoARQ","","CC(=CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)O)C4=C(NC5=CC=CC=C54)CC=C(C)C)O)C","UVEJUMDZGOFSGL-UHFFFAOYSA-N","385443",NA,"PDBC50902","676678","Present"
-"Neobrucine","","","","","","","","","","","","","","","","","","","","Neobrucine","","COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCCC6=C5)OC","BUQWXEFUPCTDBF-UHFFFAOYSA-N","276140",NA,"PDBC50903","123394","Present"
-"Neocaesalpin G","","","","","","","","","","","","","","","","","","","","Neocaesalpin G","","CC1C2C(CC3(C1=CC(=O)O3)OC)C4(CCCC(C4(C(C2O)OC(=O)C=CC5=CC=CC=C5)O)(C)C)C","LJLXYFXCWJXAPZ-ZPZROSRQSA-N","11295185",NA,"PDBC50904","730815","Present"
-"Neocrotocembraneic acid","","","","","","","","","","","","","","","","","","","","Neocrotocembraneic acid","","CC1=CCCC(=CC=C(CCC(=CCC1)C(=O)O)C(C)C)C","PJVZQWKLUCVIQA-UTPOLXMRSA-N","5471236",NA,"PDBC50905","709860","Present"
-"Neocryptolepine HCl","","","","","","","","","","","","","","","","","","","","Neocryptolepine HCl","","CN1C2=CC=CC=C2C=C3C1=NC4=CC=CC=C43.Cl","GGJLFCSSMZYADC-UHFFFAOYSA-N","390527",NA,"PDBC50906","687968","Present"
-"Neocryptotanshinone","","","","","","","","","","","","","","","","","","","","(+)-Neocryptotanshinone","","CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O","LGZFJHSOBYVDLA-JTQLQIEISA-N","389888",NA,"PDBC50907","686517","Present"
-"Neocuproine","","","","","","","","","","","","","","","","","","","","neocuproin","","CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C","IYRGXJIJGHOCFS-UHFFFAOYSA-N","65237",NA,"PDBC50908","4280","Present"
-"Neolan Yellow BE","","","","","","","","","","","","","","","","","","","","neolan yellow be","","CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)[C-](C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])C(=O)[O-].[OH-].[Na+].[Cr+3]","KJLLETQJIVVDRA-UHFFFAOYSA-J","54607658",NA,"PDBC50909","326203","Present"
-"Neolignan from clerodendron inerme","","","","","","","","","","","","","","","","","","","","NEOLIGNAN FROM CLERODENDRON INERME","","CC1C(C2C3=CC4=C(C(=C3C5=C(C6=C(C=C5C1O2)OCO6)OC)OC)OCO4)C.CC1C(C2C3=CC(=C(C(=C3C4=C(C5=C(C=C4C1O2)OCO5)OC)OC)OC)OC)C","OHZXHIMADGOUQT-UHFFFAOYSA-N","338280",NA,"PDBC50910","360036","Present"
-"Neooxypate","","","","","","","","","","","","","","","","","","","","pyrvinium pamoate (usan)","","CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])[O-])C(=O)O","ZFWFZMYQXOKWIY-UHFFFAOYSA-L","54720821",NA,"PDBC50911","757296","Present"
-"Neopentyl sulfite","","","","","","","","","","","","","","","","","","","","Neopentyl sulfite","","CC(C)(C)COS(=O)OCC(C)(C)C","MGOYUTRDTAWHOZ-UHFFFAOYSA-N","221006",NA,"PDBC50912","4622","Present"
-"Neopluramycin","","","","","","","","","","","","","","","","","","","","neopluramycin","","CC=C(C)C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4C5CC(C(C(O5)C)O)N(C)C)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)O","FGTVZROOHPSJNZ-LDADJPATSA-N","5359061",NA,"PDBC50913","295566","Present"
-"Neoquassin","","","","","","","","","","","","","","","","","","","","Neoquassin","","CC1C=C(C(=O)C2(C1CC3C4(C2C(C(=O)C(C4CC(O3)O)C)O)C)C)OC","ZXEXAUWPQPJYJZ-CRPYTBJPSA-N","6711452",NA,"PDBC50914","627442","Present"
-"Neorautane","","","","","","","","","","","","","","","","","","","","Neorautane","","CC1(CCC2=CC3=C(C=C2O1)OCC4C3OC5=CC6=C(C=C45)OCO6)C","BGWFJLDAZBGWOL-UHFFFAOYSA-N","362033",NA,"PDBC50915","625532","Present"
-"Neosarracine","","","","","","","","","","","","","","","","","","","","Neosarrine","","CC=C(C)C(=O)OC1CCN2C1C(CC2)COC(=O)C(=CC)CO","YMUQRQKYYOWGPN-ZQGGWIFCSA-N","5468383",NA,"PDBC50916","669379","Present"
-"Neotenone","","","","","","","","","","","","","","","","","","","","NEOTENONE","","COC1=CC2=C(C=C1C3COC4=C(C3=O)C=C5C=COC5=C4)OCO2","JZNIBAUSQWDFGE-UHFFFAOYSA-N","73603",NA,"PDBC50917","361413","Present"
-"Neothramycin A and neothramycin B","","","","","","","","","","","","","","","","","","","","Neothramycin","","COC1=C(C=C2C(=C1)C(=O)N3C(CCC3O)C=N2)O.COC1=C(C=C2C(=C1)C(=O)N3C(CCC3O)C=N2)O","DOZXCNCPKXGGBC-VKKUPAEUSA-N","323607",NA,"PDBC50918","285223","Present"
-"Neplanocin A","","","","","","","","","","","","","","","","","","","","Neplanocin A","","C1=C(C(C(C1N2C=NC3=C(N=CN=C32)N)O)O)CO","XUGWUUDOWNZAGW-UHFFFAOYSA-N","330164",NA,"PDBC50919","316458","Present"
-"Netropsin (Thia-Nt)","","","","","","","","","","","","","","","","","","","","Netropsin (Thia-Nt)","","C1=C(N=C(S1)NC(=O)CCCN)C(=O)NC2=NC(=CS2)C(=O)NCCCN.Br","IWRVZUVONAOJHD-UHFFFAOYSA-N","368886",NA,"PDBC50920","640231","Present"
-"Neuro1_000400","","","","","","","","","","","","","","","","","","","","Neuro1_000400","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN=CC4=CC=C(C=C4)O","GWPLWEFRYKBBIT-OEAKJJBVSA-N","135436246",NA,"PDBC50921","716044","Present"
-"Neuro_000063","","","","","","","","","","","","","","","","","","","","Neuro_000063","","CC1=C2C(=CC3=C1CCN=C3C4=CC=C(C=C4)F)C5=CC=CC=C5N2","CXYGJCRYQFSCFA-UHFFFAOYSA-N","278937",NA,"PDBC50922","128895","Present"
-"Neuro_000095","","","","","","","","","","","","","","","","","","","","Neuro_000095","","CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCCCNCC5=CC=CC=C5)C","ZPNJDNPXOOBYAA-UHFFFAOYSA-N","4303691",NA,"PDBC50923","164017","Present"
-"Neuro_000222","","","","","","","","","","","","","","","","","","","","Neuro_000222","","CC(=O)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)F","PRIOYEZNDKYFSU-UHFFFAOYSA-N","348175",NA,"PDBC50924","407335","Present"
-"Neuro_000286","","","","","","","","","","","","","","","","","","","","Neuro_000286","","CC1=NC2=C(NC(C1)C3=C(C=CC=C3Cl)Cl)NC(=S)NC2=O","NGRSGVITJHAZFF-UHFFFAOYSA-N","3004220",NA,"PDBC50925","636984","Present"
-"Neuro_000310","","","","","","","","","","","","","","","","","","","","Neuro_000310","","C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)OCCCCCCO","VWHWBZIOTDAZAF-UHFFFAOYSA-N","368991",NA,"PDBC50926","640500","Present"
-"Neuro_000312","","","","","","","","","","","","","","","","","","","","Neuro_000312","","C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)CCCC(=O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=CC=C6O)C=CC=C3O","PLQHDBBLDKDDNY-UHFFFAOYSA-N","369404",NA,"PDBC50927","641174","Present"
-"Neuro_000320","","","","","","","","","","","","","","","","","","","","Neuro_000320","","CCCCCCCCCCCCCCCC(=O)OCC1C2C(C(C(O1)OC)NP(=O)(O2)N(CCCl)CCCl)O","JALYFSGCWRLNPP-UHFFFAOYSA-N","370171",NA,"PDBC50928","642915","Present"
-"Neuro_000324","","","","","","","","","","","","","","","","","","","","Neuro_000324","","CCCC[Sn](CCCC)(OC(=O)C1=C(C(=C(C=C1)OC)OC)OC)O[Sn](CCCC)(CCCC)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC","GPLUHLHQOLIMEW-UHFFFAOYSA-L","16683191",NA,"PDBC50929","643847","Present"
-"Neuro_000325","","","","","","","","","","","","","","","","","","","","Neuro_000325","","CCCC[Sn](CCCC)(OC(=O)C1=C(C(=CC=C1)F)F)O[Sn](CCCC)(CCCC)OC(=O)C2=C(C(=CC=C2)F)F","FCPQKTGLJQPTDZ-UHFFFAOYSA-L","16683197",NA,"PDBC50930","643853","Present"
-"Neuro_000326","","","","","","","","","","","","","","","","","","","","Neuro_000326","","CCCC[Sn](CCCC)(OC(=O)C1=C(C=CC(=C1)F)F)O[Sn](CCCC)(CCCC)OC(=O)C2=C(C=CC(=C2)F)F","ARWUQPBNVOMPFK-UHFFFAOYSA-L","16683199",NA,"PDBC50931","643855","Present"
-"Neuro_000327","","","","","","","","","","","","","","","","","","","","Neuro_000327","","CCC[Sn](CCC)(OC(=O)CC1=CC=C(C=C1)F)O[Sn](CCC)(CCC)OC(=O)CC2=CC=C(C=C2)F","RFPWTNXAJAFLFR-UHFFFAOYSA-L","16683203",NA,"PDBC50932","643859","Present"
-"Neuro_000328","","","","","","","","","","","","","","","","","","","","Neuro_000328","","CCC[Sn](CCC)(OC(=O)C1=C(N=CC=C1)SC)O[Sn](CCC)(CCC)OC(=O)C2=C(N=CC=C2)SC","RRTNLYJNODYCSX-UHFFFAOYSA-L","16683206",NA,"PDBC50933","643862","Present"
-"Neuro_000344","","","","","","","","","","","","","","","","","","","","Neuro_000344","","CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)[N+](=O)[O-]","SLMMMKSIZVYGER-UHFFFAOYSA-N","438557",NA,"PDBC50934","645817","Present"
-"Neuro_000345","","","","","","","","","","","","","","","","","","","","Neuro_000345","","C1=CC2=C(C=C1Cl)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO","YLYRJTVBWDALAV-UHFFFAOYSA-N","438559",NA,"PDBC50935","645819","Present"
-"Neuro_000346","","","","","","","","","","","","","","","","","","","","Neuro_000346","","C1=CC=C2C(=C1)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO","ZPTZQTRXGWKCLC-UHFFFAOYSA-N","438562",NA,"PDBC50936","645822","Present"
-"Neuro_000347","","","","","","","","","","","","","","","","","","","","Neuro_000347","","CCC1=NC2=C3N1C4=CC=CC=C4C(=O)C3=C(C=C2)NCCN(C)C","YUTJBINDHFWKND-UHFFFAOYSA-N","438571",NA,"PDBC50937","645835","Present"
-"Neuro_000352","","","","","","","","","","","","","","","","","","","","Neuro_000352","","COC1=CC2=C(C=C1)NC(=CC2=O)C3=CC=C(C=C3)O","MZFBDYXSPMCMSX-UHFFFAOYSA-N","372266",NA,"PDBC50938","647322","Present"
-"Neuro_000367","","","","","","","","","","","","","","","","","","","","Neuro_000367","","COC1=CC(=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4)OC","DNLQKUBRTBSWQY-UHFFFAOYSA-N","374402",NA,"PDBC50939","652112","Present"
-"Neuro_000389","","","","","","","","","","","","","","","","","","","","Neuro_000389","","COC1=CC(=CC(=C1OC)OC)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC","YHXBZXBIGHSHTP-UHFFFAOYSA-N","380090",NA,"PDBC50940","665488","Present"
-"Neuro_000390","","","","","","","","","","","","","","","","","","","","Neuro_000390","","C1C2=C(C(C3=CC4=C(C=C3O2)OCO4)C5=CC6=C(C=C5)OCO6)C(=O)O1","KWSRNFODVVETLY-UHFFFAOYSA-N","380094",NA,"PDBC50941","665492","Present"
-"Neuro_000391","","","","","","","","","","","","","","","","","","","","Neuro_000391","","COC1=CC=CC(=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4","AIQJGIGDRIXKNJ-UHFFFAOYSA-N","380095",NA,"PDBC50942","665493","Present"
-"Neuro_000393","","","","","","","","","","","","","","","","","","","","Neuro_000393","","CC(=O)OC1=C(C=C(C=C1OC)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC)OC","NCPWTKPCODRISL-UHFFFAOYSA-N","380102",NA,"PDBC50943","665500","Present"
-"Neuro_000396","","","","","","","","","","","","","","","","","","","","Neuro_000396","","CCC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","ICBSBTSRZHYVGZ-UHFFFAOYSA-N","380577",NA,"PDBC50944","666227","Present"
-"Neuro_000400","","","","","","","","","","","","","","","","","","","","Neuro_000400","","COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)N=CC(=C3)Cl","TUQJHHCDZRJOFM-UHFFFAOYSA-N","381135",NA,"PDBC50945","667452","Present"
-"Neuro_000405","","","","","","","","","","","","","","","","","","","","Neuro_000405","","CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)NC5=CC=CC=C5","VIOSAMYWANJHLU-UHFFFAOYSA-N","382368",NA,"PDBC50946","669887","Present"
-"Neuro_000410","","","","","","","","","","","","","","","","","","","","Neuro_000410","","CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC(=C(C(=C4)OC)O)OC","YVEINCOWHHHOCK-UHFFFAOYSA-N","383131",NA,"PDBC50947","671172","Present"
-"Neuro_000419","","","","","","","","","","","","","","","","","","","","Neuro_000419","","C(C([N+](=O)[O-])([N+](=O)[O-])F)N(CC([N+](=O)[O-])([N+](=O)[O-])F)COCN(CC([N+](=O)[O-])([N+](=O)[O-])F)CC([N+](=O)[O-])([N+](=O)[O-])F","QGDGMWWETZZZOC-UHFFFAOYSA-N","388362",NA,"PDBC50948","683257","Present"
-"Neuro_000425","","","","","","","","","","","","","","","","","","","","Neuro_000425","","COC1=CC(=CC(=C1OC)OC)C2C=C(OC3=CC4=C(C=C23)OCO4)C5=CC=CC=C5","KFDCXQCCGHOTLJ-UHFFFAOYSA-N","390049",NA,"PDBC50949","686963","Present"
-"Neuro_000427","","","","","","","","","","","","","","","","","","","","Neuro_000427","","CC1(OC2C(OC(C2O1)N3C=NC4=C(N=C(N=C43)C#C[Si](C)(C)C)N)CO[Si](C)(C)C(C)(C)C)C","VKTBGZYQCIYCGE-UHFFFAOYSA-N","390224",NA,"PDBC50950","687496","Present"
-"Neuro_000437","","","","","","","","","","","","","","","","","","","","Neuro_000437","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NO)CCl)OC)OC","OYOOJEQADIYXPP-UHFFFAOYSA-N","390671",NA,"PDBC50951","688303","Present"
-"Neuro_000442","","","","","","","","","","","","","","","","","","","","Neuro_000442","","CC(C)(C)C1=CC2=C(C=C1)OCC3(COC4=C(CNCCNC2)C=C(C=C4)C(C)(C)C)COC5=C(CNCCNCC6=C(C=CC(=C6)C(C)(C)C)OC3)C=C(C=C5)C(C)(C)C","WEKYOFLAYYZZJF-UHFFFAOYSA-N","391026",NA,"PDBC50952","689449","Present"
-"Neuro_000445","","","","","","","","","","","","","","","","","","","","Neuro_000445","","CN(C)CCSC1=NC2=CC=CC=C2C3=C1C=C(C4=CC=CC=C43)OC","ABIVZBOIWVZRAA-UHFFFAOYSA-N","391107",NA,"PDBC50953","689725","Present"
-"Neuro_000454","","","","","","","","","","","","","","","","","","","","Neuro_000454","","C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]","NNOSNVDRJWZODO-UHFFFAOYSA-N","391440",NA,"PDBC50954","690635","Present"
-"Neuro_000456","","","","","","","","","","","","","","","","","","","","Neuro_000456","","COC1=CC=CC(=C1)CCNC2=C(C3=NC4=CC=CC=C4N3C5=CC=CC=C52)C#N","NRZNDDWCPDWYAN-UHFFFAOYSA-N","391677",NA,"PDBC50955","691219","Present"
-"Neuro_000459","","","","","","","","","","","","","","","","","","","","Neuro_000459","","C1C(C2=C(N1C(=O)CCCC(=O)N3CC(C4=C3C=C(C=C4)N)CCl)C=C(C=C2)N)CCl","YSHVFLMRNJXNHK-UHFFFAOYSA-N","392378",NA,"PDBC50956","692736","Present"
-"Neuro_000462","","","","","","","","","","","","","","","","","","","","Neuro_000462","","CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCNCCO)C(=O)C4=C(N3C1=O)C=CC(=C4)O","XEVGUVJEJMWICA-UHFFFAOYSA-N","392573",NA,"PDBC50957","693120","Present"
-"Neuro_000491","","","","","","","","","","","","","","","","","","","","Neuro_000491","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1","YYCFEJVBMMGRLX-XNEGELNPSA-N","394135",NA,"PDBC50958","697275","Present"
-"Neuro_000494","","","","","","","","","","","","","","","","","","","","Neuro_000494","","CSC1=NC2=C(C(N3C4=CC5=C(C=C4N=C3S2)OCCO5)O)C(=N1)Cl","MXLUJTLTXGBJCS-UHFFFAOYSA-N","394384",NA,"PDBC50959","697784","Present"
-"Nevirapine","","","","","","","","","","","","","","","","","","","","NEVIRAPINE","","CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4","NQDJXKOVJZTUJA-UHFFFAOYSA-N","4463",NA,"PDBC50960","641530","Present"
-"New methylene blue","","","","","","","","","","","","","","","","","","","","methylene blue nn","","CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3S2)C.[Cl-]","SQHOAFZGYFNDQX-UHFFFAOYSA-N","73518",NA,"PDBC50961","9605","Present"
-"NiCl2(PPh3)2","","","","","","","","","","","","","","","","","","","","NiCl2(PPh3)2","","","","",NA,"PDBC50962","625181","Present"
-"Nickel meso formyl etioporphyrin","","","","","","","","","","","","","","","","","","","","Nickel meso formyl etioporphyrin","","CCC1=C(C2=CC3=NC(=C(C4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CC)C=O)C(=C3CC)C)C.[Ni+2]","FHZDKESAVYRBDN-UHFFFAOYSA-M","367720",NA,"PDBC50963","637652","Present"
-"Nickel(1+), chloro[[2-hydroxybenzoic acid(2,6-pyridinedi...","","","","","","","","","","","","","","","","","","","","Nickel(1+), chloro[[2-hydroxybenzoic acid(2,6-pyridinedi...","","","","",NA,"PDBC50964","617570","Present"
-"Nickel(2+);2-(pyridin-2-ylamino)benzoate","","","","","","","","","","","","","","","","","","","","Nickel(2+);2-(pyridin-2-ylamino)benzoate","","C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=N2.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=N2.[Ni+2]","SVHQFTCXZCSQCH-UHFFFAOYSA-L","24202388",NA,"PDBC50965","646293","Present"
-"Nickel, [3-azabicyclo[3.2.2]nonane-3-carbothioic acid [1...","","","","","","","","","","","","","","","","","","","","Nickel, [3-azabicyclo[3.2.2]nonane-3-carbothioic acid [1...","","","","",NA,"PDBC50966","338307","Present"
-"Nickel, bis[2-(2,2,6,6-tetramethyl-4-piperidinylidene)hy...","","","","","","","","","","","","","","","","","","","","Nickel, bis[2-(2,2,6,6-tetramethyl-4-piperidinylidene)hy...","","","","",NA,"PDBC50967","227147","Present"
-"Nicotinamide","","","","","","","","","","","","","","","","","","","","nicota","","C1=CC(=CN=C1)C(=O)N","DFPAKSUCGFBDDF-UHFFFAOYSA-N","936",NA,"PDBC50968","13128","Present"
-"Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzylidene]hydrazide","","","","","","","","","","","","","","","","","","","","Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybe...","","COC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=O)C2=CN=CC=C2","BCDGHWXBKFEHFN-XKZIYDEJSA-N","5977454",NA,"PDBC50969","101489","Present"
-"Nifurmerone","","","","","","","","","","","","","","","","","","","","metofurone","","C1=C(OC(=C1)[N+](=O)[O-])C(=O)CCl","DQJAAEADFORVGZ-UHFFFAOYSA-N","21753",NA,"PDBC50970","84429","Present"
-"Nifurquinazol","","","","","","","","","","","","","","","","","","","","Nifurquinazole","","C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(O3)[N+](=O)[O-])N(CCO)CCO","AUEOHSUMWXAPBX-UHFFFAOYSA-N","21139",NA,"PDBC50971","220589","Present"
-"Nigericin, sodium salt (1:1)","","","","","","","","","","","","","","","","","","","","nigericin","","CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC","DANUORFCFTYTSZ-UHFFFAOYSA-N","4490",NA,"PDBC50972","292567","Present"
-"Niguldipine hydrochloride, (+/-)-","","","","","","","","","","","","","","","","","","","","Dexniquldipine HCl","","CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl","MHOSUIMBPQVOEU-UHFFFAOYSA-N","357904",NA,"PDBC50973","617553","Present"
-"Niguldipino","","","","","","","","","","","","","","","","","","","Niguldipine","","","CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC","SVJMLYUFVDMUHP-UHFFFAOYSA-N","1236",NA,"PDBC50974","","Absent"
-"Nikkomycin","","","","","","","","","","","","","","","","","","","","Nikkomycin Z","","CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N","WWJFFVUVFNBJTN-UHFFFAOYSA-N","353481",NA,"PDBC50975","601906","Present"
-"Nilacrone","","","","","","","","","","","","","","","","","","","","Nilacrone","","C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N","YRSBZVVBNPSBBM-UHFFFAOYSA-N","364456",NA,"PDBC50976","630717","Present"
-"Nile Blue 2B","","","","","","","","","","","","","","","","","","","","nile blue bb","","CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NCC5=CC=CC=C5)OC2=C1)CC.[Cl-]","FAJDWNKDRFAWLS-UHFFFAOYSA-N","20520",NA,"PDBC50977","9612","Present"
-"Nile Blue chloride","","","","","","","","","","","","","","","","","","","","nile blue","","CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1)CC.[Cl-]","SHXOKQKTZJXHHR-UHFFFAOYSA-N","16938",NA,"PDBC50978","146184","Present"
-"Nimbinic acid","","","","","","","","","","","","","","","","","","","","NIMBINIC ACID","","CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(C4O)C(C=CC5=O)(C)C(=O)OC)C)CC(=O)O)C.[Na+]","GLAUEFPTUIGUTE-UHFFFAOYSA-N","54606111",NA,"PDBC50979","92191","Present"
-"Ningetinib","","","","","","","","","","","","","","","","","","","","ningetinib","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OCC(C)(C)O)F","VQYYQSZNRVQLIS-UHFFFAOYSA-N","60165029",NA,"PDBC50980","781652","Present"
-"Nipecotamide","","","","","","","","","","","","","","","","","","","","Nipecotamide","","C1CC(CNC1)C(=O)N","BVOCPVIXARZNQN-UHFFFAOYSA-N","92980",NA,"PDBC50981","523303","Present"
-"Nisin","","","","","","","","","","","","","","","","","","","","Nisin","","CCC(C)C1C(=O)NC(=C)C(=O)NC(C(=O)NC(CSCC(C(=O)N1)NC(=O)C(=CC)NC(=O)C(C(C)CC)N)C(=O)NC2C(SCC(NC(=O)CNC(=O)C3CCCN3C2=O)C(=O)NC(CCCCN)C(=O)NC4C(SCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC4=O)C)CC(C)C)CCSC)C(=O)NC(CC(=O)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC5C(SCC6C(=O)NC(C(=O)NC(CSC(C(C(=O)N6)NC(=O)C(NC5=O)C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC7=CNC=N7)C(=O)NC(C(C)C)C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O)CC8=CNC=N8)C)C)C)CC(C)C","NVNLLIYOARQCIX-JADBQDFBSA-N","16130001",NA,"PDBC50982","112903","Present"
-"Nisoldipine","","","","","","","","","","","","","","","","","","","","nisoldipine (usan)","","CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC","VKQFCGNPDRICFG-UHFFFAOYSA-N","4499",NA,"PDBC50983","759106","Present"
-"Nitidine chloride","","","","","","","","","","","","","","","","","","","","nitidine, chloride (8ci)","","C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-]","QLDAACVSUMUMOR-UHFFFAOYSA-M","25659",NA,"PDBC50984","146397","Present"
-"Nitracrine dihydrochloride","","","","","","","","","","","","","","","","","","","","ledacrine","","CN(C)CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","BKBNOPIWNDASON-UHFFFAOYSA-N","54607240",NA,"PDBC50985","247561","Present"
-"Nitralamine hydrochloride","","","","","","","","","","","","","","","","","","","","nitralamine hydrochloride(usan)","","C1=CC=C(C(=C1)C(C[N+](=O)[O-])SCCN)Cl.Cl","GDTAMXIEGHVJQA-UHFFFAOYSA-N","23724975",NA,"PDBC50986","357114","Present"
-"Nitratobis(pyridinethiosemicarbazone-S,N1)bismuth(III)","","","","","","","","","","","","","","","","","","","","Nitratobis(pyridinethiosemicarbazone-S,N1)bismuth(III)","","","","",NA,"PDBC50987","638834","Present"
-"Nitric acid","","","","","","","","","","","","","","","","","","","","praseodymium nitrate","","[N+](=O)(O)[O-]","GRYLNZFGIOXLOG-UHFFFAOYSA-N","944",NA,"PDBC50988","177677","Present"
-"Nitric acid;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine","","","","","","","","","","","","","","","","","","","","Nitric acid;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine","","C1C(CC(CC1NCC2=CC=CC=N2)NCC3=CC=CC=N3)NCC4=CC=CC=N4.[N+](=O)(O)[O-]","UYIBSTMMBLWWPG-UHFFFAOYSA-N","399431",NA,"PDBC50989","710269","Present"
-"Nitro MBF-SO2-Cl","","","","","","","","","","","","","","","","","","","","nitro mbf-so2-cl","","COC1=CC2=C(C=C1)OC(=C2)S(=O)(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl","FYERFCKDMKWREM-UHFFFAOYSA-N","393956",NA,"PDBC50990","696992","Present"
-"Nitro MMI-Cl","","","","","","","","","","","","","","","","","","","","nitro mmi-cl","","COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl","ZHGAQKHGMIEBNJ-UHFFFAOYSA-N","393957",NA,"PDBC50991","696993","Present"
-"Nitrobenzooxepenearylmethylene (F)","","","","","","","","","","","","","","","","","","","","nitrobenzooxepenearylmethylene (F)","","C1COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=CC3=CC=C(C=C3)F","UFVWQOMBDNGMOT-FMIVXFBMSA-N","24205148",NA,"PDBC50992","734468","Present"
-"Nitrodan","","","","","","","","","","","","","","","","","","","","NSC44646///NSC67817","","CN1C(=O)C(SC1=S)N=NC2=CC=C(C=C2)[N+](=O)[O-]","HHLAJTWCKSBJFA-UHFFFAOYSA-N","13752",NA,"PDBC50993","44646///67817","Present"
-"Nitromifene citrate","","","","","","","","","","","","","","","","","","","","Nitromifene citrate","","COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OCCN4CCCC4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","LHAPNDAERSFWSC-JTHROIFXSA-N","5381092",NA,"PDBC50994","110407","Present"
-"Nitron","","","","","","","","","","","","","","","","","","","","Nitron","","C1=CC=C(C=C1)N2C3N(C2=NN3C4=CC=CC=C4)C5=CC=CC=C5","RBLFMNNBMUXHHR-UHFFFAOYSA-N","221197",NA,"PDBC50995","5038","Present"
-"Nitrophenyl-azatoxin","","","","","","","","","","","","","","","","","","","","nitrophenyl-azatoxin","","COC1=CC(=CC(=C1O)OC)C2C3=C(C(C4N2C(=O)OC4)NC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6N3","MZISFSFXJZIGGY-AXTURWKHSA-N","381589",NA,"PDBC50996","668380","Present"
-"Nitroso toluenesulphonylguanidine","","","","","","","","","","","","","","","","","","","","Nitroso toluenesulphonylguanidine","","CC1=CC=C(C=C1)S(=O)(=O)N=C(N)N(C)N=O","DZZBAEAONUJMBD-UHFFFAOYSA-N","9571511",NA,"PDBC50997","674293","Present"
-"Nitrotolazoline","","","","","","","","","","","","","","","","","","","","Nitrotolazoline","","C1CN(C(N1)CC2=CC=CC=C2)N=O","LESHZKDIUQJHEO-UHFFFAOYSA-N","378076",NA,"PDBC50998","659803","Present"
-"Nitroxoline","","","","","","","","","","","","","","","","","","","","noxin///NITROXOLINE","","C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]","RJIWZDNTCBHXAL-UHFFFAOYSA-N","19910",NA,"PDBC50999","74947///760393","Present"
-"Nogalamycin N-oxide","","","","","","","","","","","","","","","","","","","","Nogalamycin-N-oxide","","CC1C(C(C(C(O1)OC2CC(C(C3=CC4=C(C=C23)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)[N+](C)(C)[O-])O)O)C(=O)OC)(C)O)OC)(C)OC)OC","JTRPMLGIWQJPIB-UHFFFAOYSA-N","272259",NA,"PDBC51000","116555","Present"
-"Nogalarol","","","","","","","","","","","","","","","","","","","","nogalarol","","CC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)O)O","UEAXJNKEWITCAW-UHFFFAOYSA-N","122727",NA,"PDBC51001","86005","Present"
-"Nogalomycin C","","","","","","","","","","","","","","","","","","","","nogamycin","","CC1C(C(C(C(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)N(C)C)O)O)(C)O)OC)(C)OC)OC","NNEGMXMRXKXKMQ-UHFFFAOYSA-N","319846",NA,"PDBC51002","265450","Present"
-"Nogarene","","","","","","","","","","","","","","","","","","","","Nogarene","","CC1=CC2=CC3=C(C(=C2C=C1)O)C(=O)C4=C(C=C5C(=C4C3=O)OC6C(C(C(C5(O6)C)O)N(C)C)O)O","HQNMNCHWQYMBPJ-UHFFFAOYSA-N","3751252",NA,"PDBC51003","269149","Present"
-"Nonactin","","","","","","","","","","","","","","","","","","","","nonactin","","CC1CC2CCC(O2)C(C(=O)OC(CC3CCC(O3)C(C(=O)OC(CC4CCC(O4)C(C(=O)OC(CC5CCC(O5)C(C(=O)O1)C)C)C)C)C)C)C","RMIXHJPMNBXMBU-QIIXEHPYSA-N","72519",NA,"PDBC51004","52141","Present"
-"Nonacyclo[13.6.1.14,11.16,9.117,20.02,14.03,12.05,10.016,21]pentacosa-7,18-dien-13-one","","","","","","","","","","","","","","","","","","","","Nonacyclo[13.6.1.14,11.16,9.117,20.02,14.03,12.05,10.016,21]pentacosa-7,18-dien-13-one","","C1C2C=CC1C3C2C4CC3C5C4C6C7CC(C6C5=O)C8C7C9CC8C=C9","NCVGHTNYYDKVAM-UHFFFAOYSA-N","370802",NA,"PDBC51005","644324","Present"
-"Nonafluoro-1-butanesulfonic acid 2-methoxy-5-formylphenyl ester","","","","","","","","","","","","","","","","","","","","Nonafluoro-1-butanesulfonic acid 2-methoxy-5-formylphenyl ester","","COC1=C(C=C(C=C1)C=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","VJBUQKJYJNVDGG-UHFFFAOYSA-N","403537",NA,"PDBC51006","718553","Present"
-"Nonyl 5-chloropyrazine-2-carboxylate","","","","","","","","","","","","","","","","","","","","5-Chloro-pyrazine-2-carboxylic acid nonyl ester","","CCCCCCCCCOC(=O)C1=CN=C(C=N1)Cl","FWCNZZHMKBQNLO-UHFFFAOYSA-N","406082",NA,"PDBC51007","724000","Present"
-"Nootkatin","","","","","","","","","","","","","","","","","","","","Nootkatin","","CC(C)C1=CC(=O)C(=CC=C1CC=C(C)C)O","MNMNTZYOZZLKSV-UHFFFAOYSA-N","238797",NA,"PDBC51008","43339","Present"
-"Nor-Coralyne","","","","","","","","","","","","","","","","","","","","CORALYNE, NOR","","COC1=CC2=CC3=[N+](C=CC4=CC(=C(C=C43)OC)OC)C=C2C=C1OC.[Cl-]","DYFJAIXBMHQFNN-UHFFFAOYSA-M","5458376",NA,"PDBC51009","169688","Present"
-"Noracronycine","","","","","","","","","","","","","","","","","","","","noracronine","","CC1(C=CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)C","CBXBWBNEFPNSDO-UHFFFAOYSA-N","5320199",NA,"PDBC51010","103005","Present"
-"Norcantharidin","","","","","","","","","","","","","","","","","","","","NSC148536","","C1CC2C3C(C1O2)C(=O)OC3=O","JAABVEXCGCXWRR-UHFFFAOYSA-N","93004",NA,"PDBC51011","148536","Present"
-"Norcassamide, hydrochloride","","","","","","","","","","","","","","","","","","","","Norcassamide, hydrochloride","","CC1C2C(CCC1=CC(=O)OCCNC)C3(CCCC(C3CC2O)(C)C(=O)OC)C","COAPCKUZMKOWBC-SSZFMOIBSA-N","6385691",NA,"PDBC51012","179180","Present"
-"Nordracorubin","","","","","","","","","","","","","","","","","","","","Nordracorubin","","COC1=C2CCC(OC2=C3C(=C1)OC4=CC(=O)C=C5C4=C3C=C(O5)C6=CC=CC=C6)C7=CC=CC=C7","ZKOTWKIEVACBFM-UHFFFAOYSA-N","341882",NA,"PDBC51013","376248","Present"
-"Norfenfluramine","","","","","","","","","","","","","","","","","","","","norfenfloramine","","CC(CC1=CC(=CC=C1)C(F)(F)F)N","MLBHFBKZUPLWBD-UHFFFAOYSA-N","15897",NA,"PDBC51014","43036","Present"
-"Norhomohalichondrin B","","","","","","","","","","","","","","","","","","","","norhomohalichondrin B","","CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)CO)C)C)OC9CC(C1=C)O2)C","DNAWQFLEGPKCPB-RJJJCZGFSA-N","395619",NA,"PDBC51015","700368","Present"
-"Noribogaine hydrochloride","","","","","","","","","","","","","","","","","","","","Noribogaine hydrochloride","","CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)O.Cl","BFLJLOKFWZLUTR-STGWVFMRSA-N","321672",NA,"PDBC51016","274275","Present"
-"Northalibrine","","","","","","","","","","","","","","","","","","","","Northalibrine","","CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)CC5C6=CC(=C(C=C6CCN5)OC)O)OC)OC","RNPHQDBXJJRLDE-CONSDPRKSA-N","319848",NA,"PDBC51017","265454","Present"
-"Nortriptyline hydrochloride","","","","","","","","","","","","","","","","","","","","pamelor","","CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl","SHAYBENGXDALFF-UHFFFAOYSA-N","441358",NA,"PDBC51018","169453","Present"
-"Norviburtinal","","","","","","","","","","","","","","","","","","","","Norviburtinal","","C1=COC=C2C1=CC=C2C=O","VRMFZTBAWYVGGB-UHFFFAOYSA-N","390664",NA,"PDBC51019","688276","Present"
-"Nostoclide I","","","","","","","","","","","","","","","","","","","","Nostoclide I","","CC(C)C1=C(C(=O)OC1=CC2=CC(=C(C(=C2)Cl)O)Cl)CC3=CC=CC=C3","OLAZDNWZIHSQMW-WQRHYEAKSA-N","5468142",NA,"PDBC51020","665168","Present"
-"Nostoclide II","","","","","","","","","","","","","","","","","","","","Nostoclide II","","CC(C)C1=C(C(=O)OC1=CC2=CC(=C(C=C2)O)Cl)CC3=CC=CC=C3","FJCMKDBQNWQPBT-UNOMPAQXSA-N","5468143",NA,"PDBC51021","665169","Present"
-"Nostocyclamide","","","","","","","","","","","","","","","","","","","","Nostocyclamide","","CC1C2=NC(=C(O2)C)C(=O)NCC3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C(=O)N1)C(C)C","CRISVSOALHAQCE-LKFCYVNXSA-N","393060",NA,"PDBC51022","694347","Present"
-"Nuapapuanoic acid methyl ester","","","","","","","","","","","","","","","","","","","","Nuapapuanoic acid methyl ester","","CC1=C(C(CCC1)(C)C)CCC2(CCC(OO2)C(C)C(=O)OC)C","MRBQQESZUMBYBU-SYNHAJSKSA-N","11969601",NA,"PDBC51023","602305","Present"
-"Nucleocidin","","","","","","","","","","","","","","","","","","","","Nucleocidin","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)(COS(=O)(=O)N)F)O)O)N","LTBCQBSAWAZBDF-UHFFFAOYSA-N","351320",NA,"PDBC51024","521007","Present"
-"Nucleoprotamine compound","","","","","","","","","","","","","","","","","","","","Nucleoprotamine compound","","","","",NA,"PDBC51025","644023","Present"
-"Numidargistat","","","","","","","","","","","","","","","","","","","","CB-1158","","B(CCCC1CN(CC1(C(=O)O)N)C(=O)C(C)N)(O)O","ZZJLMZYUGLJBSO-LAEOZQHASA-N","131801114",NA,"PDBC51026","803247","Present"
-"Nutlin-3A","","","","","","","","","","","","","","","","","","","","(+)-Nutlin-3","","CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","BDUHCSBCVGXTJM-WUFINQPMSA-N","11433190",NA,"PDBC51027","763443","Present"
-"Nvs-cecr2-1","","","","","","","","","","","","","","","","","","","","N-cyclopropyl-2-(propylsulfonyl)-6-(1-(2,2,6,6-tetrameth...","","CCCS(=O)(=O)C1=NC(=CC(=N1)NC2CC2)C3=CC4=C(C=C3)N(C=C4)C5CC(NC(C5)(C)C)(C)C","XVECNLUKQDKOST-UHFFFAOYSA-N","117072550",NA,"PDBC51028","786082","Present"
-"Nybomycin","","","","","","","","","","","","","","","","","","","","Nybomycin acetate///Nybomycin","","CC1=CC(=O)N2COC3=C2C1=CC4=C3N(C(=O)C=C4CO)C","HKMUGCUFXWTNSP-UHFFFAOYSA-N","169159",NA,"PDBC51029","157004///613948","Present"
-"Nybomycin deriv","","","","","","","","","","","","","","","","","","","","nybomycin deriv","","CC1=CC(=O)N2COC3=C2C1=CC4=C3N(C(=O)C=C4CN(C)C)C.Cl","FALWMIAEJSRSFM-UHFFFAOYSA-N","24197834",NA,"PDBC51030","275428","Present"
-"N~1~,N~1~,N~2~,N~2~-Tetraisopropyl-1,2-cubanedicarboxamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~,N~2~,N~2~-Tetraisopropyl-1,2-cubanedicarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4C3C25C(=O)N(C(C)C)C(C)C","GJEVPNNDIBPZIY-UHFFFAOYSA-N","369213",NA,"PDBC51031","640919","Present"
-"N~1~,N~1~,N~3~,N~3~-Tetraisopropylisophthalamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~,N~3~,N~3~-Tetraisopropylisophthalamide","","CC(C)N(C(C)C)C(=O)C1=CC(=CC=C1)C(=O)N(C(C)C)C(C)C","PPRZNVLHHRKCMV-UHFFFAOYSA-N","369218",NA,"PDBC51032","640924","Present"
-"N~1~,N~1~,N~3~,N~3~-Tetrakis(2-(1H-pyrazol-1-yl)ethyl)-1,3-benzenediamine","","","","","","","","","","","","","","","","","","","","N~1~,N~1~,N~3~,N~3~-Tetrakis(2-(1H-pyrazol-1-yl)ethyl)-1,3-benzenediamine","","C1=CC(=CC(=C1)N(CCN2C=CC=N2)CCN3C=CC=N3)N(CCN4C=CC=N4)CCN5C=CC=N5","QOTFNRNDKQTOQT-UHFFFAOYSA-N","361756",NA,"PDBC51033","625022","Present"
-"N~1~,N~1~,N~3~,N~3~-Tetrakis(2-cyanoethyl)isophthalamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~,N~3~,N~3~-Tetrakis(2-cyanoethyl)isophthalamide","","C1=CC(=CC(=C1)C(=O)N(CCC#N)CCC#N)C(=O)N(CCC#N)CCC#N","FCHYWKNRWUALHQ-UHFFFAOYSA-N","361752",NA,"PDBC51034","625018","Present"
-"N~1~,N~1~,N~4~-Trimethyl-N~4~-(2-(methylamino)-2-oxoethyl)succinamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~,N~4~-Trimethyl-N~4~-(2-(methylamino)-2-oxoethyl)succinamide","","CNC(=O)CN(C)C(=O)CCC(=O)N(C)C","OESABNWIXLAAPF-UHFFFAOYSA-N","391824",NA,"PDBC51035","691411","Present"
-"N~1~,N~1~,N~6~-Trimethyl-N~6~-(4-(methylamino)-4-oxobutyl)hexanediamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~,N~6~-Trimethyl-N~6~-(4-(methylamino)-4-oxobutyl)hexanediamide","","CNC(=O)CCCN(C)C(=O)CCCCC(=O)N(C)C","JVEPEEDYFAEVTF-UHFFFAOYSA-N","391825",NA,"PDBC51036","691412","Present"
-"N~1~,N~1~-Dibenzyl-N~1~,N~1~-dimethyl-1,1-cyclopropanediamine","","","","","","","","","","","","","","","","","","","","N~1~,N~1~-Dibenzyl-N~1~,N~1~-dimethyl-1,1-cyclopropanediamine","","CN(CC1=CC=CC=C1)C2(CC2)N(C)CC3=CC=CC=C3","SSNFBXJKNDHNCY-UHFFFAOYSA-N","362788",NA,"PDBC51037","627065","Present"
-"N~1~,N~1~-Diisopropyl-1,4-cubanedicarboxamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~-Diisopropyl-1,4-cubanedicarboxamide","","CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)N","UGUUKHGGWPLXIO-UHFFFAOYSA-N","369202",NA,"PDBC51038","640908","Present"
-"N~1~,N~1~-Dimethyl-N~4~-(2-(methylamino)-2-oxoethyl)succinamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~-Dimethyl-N~4~-(2-(methylamino)-2-oxoethyl)succinamide","","CNC(=O)CNC(=O)CCC(=O)N(C)C","AUMNXVYYRPTIGD-UHFFFAOYSA-N","391816",NA,"PDBC51039","691403","Present"
-"N~1~,N~1~-Dimethyl-N~4~-(3-(methylamino)-3-oxopropyl)succinamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~-Dimethyl-N~4~-(3-(methylamino)-3-oxopropyl)succinamide","","CNC(=O)CCNC(=O)CCC(=O)N(C)C","ORSCCBXANBRZNV-UHFFFAOYSA-N","391817",NA,"PDBC51040","691404","Present"
-"N~1~,N~1~-Dimethyl-N~5~-(4-(methylamino)-4-oxobutyl)pentanediamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~-Dimethyl-N~5~-(4-(methylamino)-4-oxobutyl)pentanediamide","","CNC(=O)CCCNC(=O)CCCC(=O)N(C)C","HHAGPWINQIMXSX-UHFFFAOYSA-N","391818",NA,"PDBC51041","691405","Present"
-"N~1~,N~1~-Dimethyl-N~6~-(4-(methylamino)-4-oxobutyl)hexanediamide","","","","","","","","","","","","","","","","","","","","N~1~,N~1~-Dimethyl-N~6~-(4-(methylamino)-4-oxobutyl)hexanediamide","","CNC(=O)CCCNC(=O)CCCCC(=O)N(C)C","DSTOYDNHOQQYPZ-UHFFFAOYSA-N","391819",NA,"PDBC51042","691406","Present"
-"N~1~,N~2~-Bis(acetyloxy)ethanediimidoyl dichloride","","","","","","","","","","","","","","","","","","","","STK367082","","CC(=O)ON=C(C(=NOC(=O)C)Cl)Cl","KIGDWMWQZPZZOW-OZDSWYPASA-N","5363739",NA,"PDBC51043","622662","Present"
-"N~1~,N~3~,N~5~-Tris(cyano(4-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)phenyl)methyl)-N~1~,N~3~,N~5~-tris(2-phenylethyl)-1,3,5-benzenetricarboxamide","","","","","","","","","","","","","","","","","","","","1-N,3-N,5-N-Tris[cyano-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]-1-N,3-N,5-N-tris(2-phenylethyl)benzene-1,3,5-tricarboxamide","","COCCOCCOCCOC1=CC=C(C=C1)C(C#N)N(CCC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)C(=O)N(CCC4=CC=CC=C4)C(C#N)C5=CC=C(C=C5)OCCOCCOCCOC)C(=O)N(CCC6=CC=CC=C6)C(C#N)C7=CC=C(C=C7)OCCOCCOCCOC","FIPLTVYDTMEZEG-UHFFFAOYSA-N","384288",NA,"PDBC51044","673905","Present"
-"N~1~,N~3~-Diphenyl-2-thioxo-1,3-imidazolidinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~1~,N~3~-Diphenyl-2-thioxo-1,3-imidazolidinedicarboxamide","","C1CN(C(=S)N1C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3","JBLAPKBPRXDCIF-UHFFFAOYSA-N","396957",NA,"PDBC51045","704177","Present"
-"N~1~,N~4~,N~7~-Trimethyl-1,4,7-triazonane-1,4,7-tricarboxamide","","","","","","","","","","","","","","","","","","","","N~1~,N~4~,N~7~-Trimethyl-1,4,7-triazonane-1,4,7-tricarboxamide","","CNC(=O)N1CCN(CCN(CC1)C(=O)NC)C(=O)NC","HLGHYUOELXTGQD-UHFFFAOYSA-N","393249",NA,"PDBC51046","694876","Present"
-"N~1~,N~4~-Bis(2-bromo-2-propenyl)succinamide","","","","","","","","","","","","","","","","","","","","N~1~,N~4~-Bis(2-bromo-2-propenyl)succinamide","","C=C(CNC(=O)CCC(=O)NCC(=C)Br)Br","FDJHVJCHHQELFM-UHFFFAOYSA-N","379674",NA,"PDBC51047","664554","Present"
-"N~1~,N~4~-Bis(3-((hydroxy(dimethyl)-lambda~5~-azanyl)methyl)phenyl)terephthalamide","","","","","","","","","","","","","","","","","","","","N~1~,N~4~-Bis(3-((hydroxy(dimethyl)-lambda~5~-azanyl)methyl)phenyl)terephthalamide","","C[N+](C)(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C[N+](C)(C)[O-])[O-]","AFAQCCNXQQKUEK-UHFFFAOYSA-N","382450",NA,"PDBC51048","670015","Present"
-"N~1~,N~4~-Bis(cyano(phenyl)methyl)-N~1~,N~4~-bis(2-phenylethyl)terephthalamide","","","","","","","","","","","","","","","","","","","","N~1~,N~4~-Bis(cyano(phenyl)methyl)-N~1~,N~4~-bis(2-phenylethyl)terephthalamide","","C1=CC=C(C=C1)CCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)N(CCC4=CC=CC=C4)C(C#N)C5=CC=CC=C5","LVTPFCJIMJDLGB-UHFFFAOYSA-N","387722",NA,"PDBC51049","681751","Present"
-"N~1~,N~4~-Di(tert-butyl)-1,4-cubanedicarboxamide","","","","","","","","","","","","","","","","","","","","N~1~,N~4~-Di(tert-butyl)-1,4-cubanedicarboxamide","","CC(C)(C)NC(=O)C12C3C4C1C5C2C3C45C(=O)NC(C)(C)C","JRVSQBQQVQMPMO-UHFFFAOYSA-N","386907",NA,"PDBC51050","679807","Present"
-"N~1~,N~4~-Di(tert-butyl)-N~1~,N~4~-dimethyl-1,4-cubanedicarboxamide","","","","","","","","","","","","","","","","","","","","N~1~,N~4~-Di(tert-butyl)-N~1~,N~4~-dimethyl-1,4-cubanedicarboxamide","","CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C(=O)N(C)C(C)(C)C","GWXNNJDKFDIEOX-UHFFFAOYSA-N","369193",NA,"PDBC51051","640899","Present"
-"N~1~,N~5~-Bis(((4-methylphenyl)sulfonyl)methyl)pentanedithioamide","","","","","","","","","","","","","","","","","","","","N~1~,N~5~-Bis(((4-methylphenyl)sulfonyl)methyl)pentanedithioamide","","CC1=CC=C(C=C1)S(=O)(=O)CNC(=S)CCCC(=S)NCS(=O)(=O)C2=CC=C(C=C2)C","VIZWVIWQRDGWCR-UHFFFAOYSA-N","3004065",NA,"PDBC51052","625227","Present"
-"N~1~-((2,2-Dimethyl-1,3-dioxolan-4-yl)methyl)-N~1~,N~2~,N~2~-trimethyl-1,2-ethanediamine","","","","","","","","","","","","","","","","","","","","N~1~-((2,2-Dimethyl-1,3-dioxolan-4-yl)methyl)-N~1~,N~2~,N~2~-trimethyl-1,2-ethanediamine","","CC1(OCC(O1)CN(C)CCN(C)C)C","WYBKLKUHXGIVQE-UHFFFAOYSA-N","361938",NA,"PDBC51053","625422","Present"
-"N~1~-((Benzoylamino)methyl)-2-methyl-N~3~-phenylmalonamide","","","","","","","","","","","","","","","","","","","","N~1~-((Benzoylamino)methyl)-2-methyl-N~3~-phenylmalonamide","","CC(C(=O)NCNC(=O)C1=CC=CC=C1)C(=O)NC2=CC=CC=C2","OWHKWSDQTKMLLS-UHFFFAOYSA-N","387038",NA,"PDBC51054","680358","Present"
-"N~1~-((Benzoylamino)methyl)-N~3~-benzyl-2-methylmalonamide","","","","","","","","","","","","","","","","","","","","N~1~-((Benzoylamino)methyl)-N~3~-benzyl-2-methylmalonamide","","CC(C(=O)NCC1=CC=CC=C1)C(=O)NCNC(=O)C2=CC=CC=C2","FRBAOHZRIIPSGW-UHFFFAOYSA-N","387039",NA,"PDBC51055","680359","Present"
-"N~1~-(1-(Benzoylamino)ethyl)-2-methyl-N~3~-phenylmalonamide","","","","","","","","","","","","","","","","","","","","N~1~-(1-(Benzoylamino)ethyl)-2-methyl-N~3~-phenylmalonamide","","CC(C(=O)NC1=CC=CC=C1)C(=O)NC(C)NC(=O)C2=CC=CC=C2","XYKCQPPBYPGXBC-UHFFFAOYSA-N","387031",NA,"PDBC51056","680351","Present"
-"N~1~-(2,3-Bis(hexadecyloxy)propyl)-N~1~,N~2~,N~2~-trimethyl-1,2-ethanediamine","","","","","","","","","","","","","","","","","","","","N~1~-(2,3-Bis(hexadecyloxy)propyl)-N~1~,N~2~,N~2~-trimethyl-1,2-ethanediamine","","CCCCCCCCCCCCCCCCOCC(CN(C)CCN(C)C)OCCCCCCCCCCCCCCCC","AVNACAYMPJTAAR-UHFFFAOYSA-N","361954",NA,"PDBC51057","625437","Present"
-"N~1~-(2,4-Dimethoxyphenyl)-N~2~-hydroxyethanediamide","","","","","","","","","","","","","","","","","","","","N~1~-(2,4-Dimethoxyphenyl)-N~2~-hydroxyethanediamide","","COC1=CC(=C(C=C1)NC(=O)C(=O)NO)OC","BGLNFZFSWSKTGA-UHFFFAOYSA-N","369235",NA,"PDBC51058","640963","Present"
-"N~1~-(2,5-Dichlorophenyl)-N~2~-hydroxyethanediamide","","","","","","","","","","","","","","","","","","","","N~1~-(2,5-Dichlorophenyl)-N~2~-hydroxyethanediamide","","C1=CC(=C(C=C1Cl)NC(=O)C(=O)NO)Cl","IWUWLVFWWFTOAC-UHFFFAOYSA-N","369232",NA,"PDBC51059","640960","Present"
-"N~1~-(2-(Aminocarbonyl)phenyl)-N~2~-(5-imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N1-(5-amino-1H-1,2,4-triazol-3-yl)-N2-(2-carbamoylphenyl...","","C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=O)NC2=NNC(=N2)N","GJECZWIUEFUNOS-UHFFFAOYSA-N","369821",NA,"PDBC51060","642016","Present"
-"N~1~-(2-Amino-1-methyl-2-oxoethyl)-2-methyl-N~3~-(4-(trifluoromethyl)benzyl)malonamide","","","","","","","","","","","","","","","","","","","","N~1~-(2-Amino-1-methyl-2-oxoethyl)-2-methyl-N~3~-(4-(trifluoromethyl)benzyl)malonamide","","CC(C(=O)NCC1=CC=C(C=C1)C(F)(F)F)C(=O)NC(C)C(=O)N","PWQDVQQFBWUDTL-UHFFFAOYSA-N","387035",NA,"PDBC51061","680355","Present"
-"N~1~-(2-Amino-1-methyl-2-oxoethyl)-2-methyl-N~3~-(4-(trifluoromethyl)phenyl)malonamide","","","","","","","","","","","","","","","","","","","","N~1~-(2-Amino-1-methyl-2-oxoethyl)-2-methyl-N~3~-(4-(trifluoromethyl)phenyl)malonamide","","CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)C(=O)NC(C)C(=O)N","SKDIJEZBZPZEFI-UHFFFAOYSA-N","387034",NA,"PDBC51062","680354","Present"
-"N~1~-(2-Cyano-4-(hydroxy(oxido)amino)phenyl)-N~2~-(5-imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)ethanediamide","","","","","","","","","","","","","","","","","","","","N1-(5-amino-1H-1,2,4-triazol-3-yl)-N2-(2-cyano-4-nitroph...","","C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)C(=O)NC2=NNC(=N2)N","GWESTDOSUVAOFA-UHFFFAOYSA-N","3768579",NA,"PDBC51063","641244","Present"
-"N~1~-(3-(2-(Hydroxy(oxido)amino)-1H-imidazol-1-yl)propyl)-N~4~-(2-(5-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)ethyl)succinamide","","","","","","","","","","","","","","","","","","","","N-[3(2-Nitroimidazolyl)-propyl]-N'-[2-(2-methyl-5-nitroi...","","CC1=NC=C(N1CCNC(=O)CCC(=O)NCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","AXRHRVXODICVJX-UHFFFAOYSA-N","376097",NA,"PDBC51064","656580","Present"
-"N~1~-(4-(2,3-Dihydro[1,3]thiazolo[2,3-a]isoindol-5-yl)-6-fluoro-1,3,5-triazin-2-yl)-1,4-benzenediamine","","","","","","","","","","","","","","","","","","","","4-N-[4-(2,3-Dihydro-[1,3]thiazolo[2,3-a]isoindol-5-yl)-6-fluoro-1,3,5-triazin-2-yl]benzene-1,4-diamine","","C1CSC2=C3C=CC=CC3=C(N21)C4=NC(=NC(=N4)F)NC5=CC=C(C=C5)N","XVJJTHWRHWWTBX-UHFFFAOYSA-N","373232",NA,"PDBC51065","649239","Present"
-"N~1~-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-N~2~-hydroxyethanediamide","","","","","","","","","","","","","","","","","","","","N~1~-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-N~2~-hydroxyethanediamide","","C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)C(=O)NO","NXVWNFGCZPKSAC-UHFFFAOYSA-N","5196535",NA,"PDBC51066","640962","Present"
-"N~1~-(4-Ethoxyphenyl)-N~2~-hydroxyethanediamide","","","","","","","","","","","","","","","","","","","","N~1~-(4-Ethoxyphenyl)-N~2~-hydroxyethanediamide","","CCOC1=CC=C(C=C1)NC(=O)C(=O)NO","GOLQFRYFMONRQE-UHFFFAOYSA-N","369231",NA,"PDBC51067","640959","Present"
-"N~1~-(4-Fluoro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)-1,4-benzenediamine","","","","","","","","","","","","","","","","","","","","N~1~-(4-Fluoro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)-1,4-benzenediamine","","CN1C=C2C=CC=CC2=C1C3=NC(=NC(=N3)F)NC4=CC=C(C=C4)N","PLEMHYBSIBNSNB-UHFFFAOYSA-N","373231",NA,"PDBC51068","649238","Present"
-"N~1~-(6-Chloro-2-methoxy-9-acridinyl)-N~3~,N~3~-bis(3,4,5-trimethoxybenzyl)-1,3-propanediamine","","","","","","","","","","","","","","","","","","","","N~1~-(6-Chloro-2-methoxy-9-acridinyl)-N~3~,N~3~-bis(3,4,5-trimethoxybenzyl)-1,3-propanediamine","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CC4=CC(=C(C(=C4)OC)OC)OC)CC5=CC(=C(C(=C5)OC)OC)OC","QWYQSFYCOBJJAM-UHFFFAOYSA-N","383383",NA,"PDBC51069","671554","Present"
-"N~1~-(6-Chloro-2-methoxyacridin-9-yl)-N~4~,N~4~-diethyl-2-phenylbutane-1,4-diamine--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;hydrochloride","","CCN(CC)CCC(CNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)C4=CC=CC=C4.Cl","MBBPMQFSFGKJIV-UHFFFAOYSA-N","24181528",NA,"PDBC51070","9688","Present"
-"N~1~-(Tert-Butyl)-N~1~-methyl-1,4-cubanedicarboxamide","","","","","","","","","","","","","","","","","","","","N~1~-(Tert-Butyl)-N~1~-methyl-1,4-cubanedicarboxamide","","CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C(=O)N","GUJRJBHITGZTLU-UHFFFAOYSA-N","369190",NA,"PDBC51071","640896","Present"
-"N~1~-Hydroxy-N~5~-(3-((5-(hydroxy(methyl)amino)-5-oxopentanoyl)amino)-2,2-dimethylpropyl)-N~1~-methylpentanediamide","","","","","","","","","","","","","","","","","","","","N'-Hydroxy-N-[3-[[5-[hydroxy(methyl)amino]-5-oxopentanoyl]amino]-2,2-dimethylpropyl]-N'-methylpentanediamide","","CC(C)(CNC(=O)CCCC(=O)N(C)O)CNC(=O)CCCC(=O)N(C)O","XRWCFBQDOYNLHT-UHFFFAOYSA-N","396680",NA,"PDBC51072","703194","Present"
-"N~1~-Trityl-N~2~-(2-((2-(tritylamino)cyclohexyl)amino)ethyl)-1,2-cyclohexanediamine","","","","","","","","","","","","","","","","","","","","N~1~-Trityl-N~2~-(2-((2-(tritylamino)cyclohexyl)amino)ethyl)-1,2-cyclohexanediamine","","C1CCC(C(C1)NCCNC2CCCCC2NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","INMAEUFTSXWEFD-UHFFFAOYSA-N","384594",NA,"PDBC51073","674606","Present"
-"N~2~,N~2~,N~4~,N~4~,N~6~-Pentamethyl-N~6~-((methylanilino)methyl)-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N~2~,N~2~,N~4~,N~4~,N~6~-Pentamethyl-N~6~-((methylanilino)methyl)-1,3,5-triazine-2,4,6-triamine","","CN(C)C1=NC(=NC(=N1)N(C)CN(C)C2=CC=CC=C2)N(C)C","CAMJDWRWEQRBIG-UHFFFAOYSA-N","375873",NA,"PDBC51074","656188","Present"
-"N~2~,N~4~-Di(1-adamantyl)-6-chloro-1,3,5-triazine-2,4-diamine","","","","","","","","","","","","","","","","","","","","N~2~,N~4~-Di(1-adamantyl)-6-chloro-1,3,5-triazine-2,4-diamine","","C1C2CC3CC1CC(C2)(C3)NC4=NC(=NC(=N4)Cl)NC56CC7CC(C5)CC(C7)C6","REODSSILSGZFFM-UHFFFAOYSA-N","394865",NA,"PDBC51075","698954","Present"
-"N~2~,N~6~-Bis(2-chloro-1,1-dimethylethyl)-2,6-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~2~,N~6~-Bis(2-chloro-1,1-dimethylethyl)-2,6-pyridinedicarboxamide","","CC(C)(CCl)NC(=O)C1=NC(=CC=C1)C(=O)NC(C)(C)CCl","JLXUILFMLOLRDG-UHFFFAOYSA-N","373167",NA,"PDBC51076","649115","Present"
-"N~2~-(((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)(methyl)amino)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","2-N-[[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine","","CN(C)C1=NC(=NC(=N1)N(C)CN(C)C2=NC(=NC(=N2)N(C)C)N(C)C)N(C)C","AHKJUNMOZSOJRG-UHFFFAOYSA-N","375171",NA,"PDBC51077","654387","Present"
-"N~2~-((4-Chloro(methyl)anilino)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","2-N-[(4-Chloro-N-methylanilino)methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine","","CN(C)C1=NC(=NC(=N1)N(C)CN(C)C2=CC=C(C=C2)Cl)N(C)C","BDVIETWBFAUONM-UHFFFAOYSA-N","375874",NA,"PDBC51078","656189","Present"
-"N~2~-((4-Methoxy(methyl)anilino)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","2-N-[(4-Methoxy-N-methylanilino)methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine","","CN(C)C1=NC(=NC(=N1)N(C)CN(C)C2=CC=C(C=C2)OC)N(C)C","VULBBAJWZXPTCF-UHFFFAOYSA-N","375170",NA,"PDBC51079","654386","Present"
-"N~2~-((Ethylthio)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N~2~-((Ethylthio)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine","","CCSCN(C)C1=NC(=NC(=N1)N(C)C)N(C)C","MMUPXXUPQDXGMM-UHFFFAOYSA-N","375167",NA,"PDBC51080","654382","Present"
-"N~2~-(1-Adamantyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N~2~-(1-Adamantyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine","","CN(C)C1=NC(=NC(=N1)N(C)C23CC4CC(C2)CC(C4)C3)N(C)C","ASDANTDVNGNOKK-UHFFFAOYSA-N","394868",NA,"PDBC51081","698957","Present"
-"N~2~-(1-Adamantyl)-N~4~,N~4~,N~6~,N~6~-tetramethyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N~2~-(1-Adamantyl)-N~4~,N~4~,N~6~,N~6~-tetramethyl-1,3,5-triazine-2,4,6-triamine","","CN(C)C1=NC(=NC(=N1)NC23CC4CC(C2)CC(C4)C3)N(C)C","BLXKGLQDXNUWQR-UHFFFAOYSA-N","394867",NA,"PDBC51082","698956","Present"
-"N~2~-(3,4,5-Trimethoxybenzyl)-2,6-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4,5-Trimethoxybenzyl)-2,6-quinoxalinediamine","","COC1=CC(=CC(=C1OC)OC)CNC2=CN=C3C=C(C=CC3=N2)N","AQYDIFGIIZQGJZ-UHFFFAOYSA-N","374163",NA,"PDBC51083","651632","Present"
-"N~2~-(3,4,5-Trimethoxybenzyl)-2,7-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4,5-Trimethoxybenzyl)-2,7-quinoxalinediamine","","COC1=CC(=CC(=C1OC)OC)CNC2=CN=C3C=CC(=CC3=N2)N","RLETWVFONXZSNK-UHFFFAOYSA-N","373185",NA,"PDBC51084","649149","Present"
-"N~2~-(3,4,5-Trimethoxyphenyl)-2,6-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4,5-Trimethoxyphenyl)-2,6-quinoxalinediamine","","COC1=CC(=CC(=C1OC)OC)NC2=CN=C3C=C(C=CC3=N2)N","ZYOQLMBPXLMNAI-UHFFFAOYSA-N","374162",NA,"PDBC51085","651631","Present"
-"N~2~-(3,4,5-Trimethoxyphenyl)-2,7-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4,5-Trimethoxyphenyl)-2,7-quinoxalinediamine","","COC1=CC(=CC(=C1OC)OC)NC2=CN=C3C=CC(=CC3=N2)N","JSFRSCBRMCMEJJ-UHFFFAOYSA-N","373184",NA,"PDBC51086","649148","Present"
-"N~2~-(3,4-Dichlorophenyl)-2,6-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4-Dichlorophenyl)-2,6-quinoxalinediamine","","C1=CC2=NC(=CN=C2C=C1N)NC3=CC(=C(C=C3)Cl)Cl","GQHNCWKTUIXZAC-UHFFFAOYSA-N","374662",NA,"PDBC51087","652762","Present"
-"N~2~-(3,4-Dichlorophenyl)-2,7-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4-Dichlorophenyl)-2,7-quinoxalinediamine","","C1=CC2=NC=C(N=C2C=C1N)NC3=CC(=C(C=C3)Cl)Cl","AWPZFSHVVHMYJP-UHFFFAOYSA-N","374826",NA,"PDBC51088","653249","Present"
-"N~2~-(3,4-Dichlorophenyl)-9H-purine-2,6-diamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4-Dichlorophenyl)-9H-purine-2,6-diamine","","C1=CC(=C(C=C1NC2=NC(=C3C(=N2)N=CN3)N)Cl)Cl","QUQWBNJQTLWIEB-UHFFFAOYSA-N","496192",NA,"PDBC51089","681687","Present"
-"N~2~-(3,4-Dimethoxybenzyl)-2,6-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4-Dimethoxybenzyl)-2,6-quinoxalinediamine","","COC1=C(C=C(C=C1)CNC2=CN=C3C=C(C=CC3=N2)N)OC","JTTUHPAUYMZFGM-UHFFFAOYSA-N","374661",NA,"PDBC51090","652761","Present"
-"N~2~-(3,4-Dimethoxybenzyl)-2,7-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4-Dimethoxybenzyl)-2,7-quinoxalinediamine","","COC1=C(C=C(C=C1)CNC2=CN=C3C=CC(=CC3=N2)N)OC","NVIZAGZBXWEOTC-UHFFFAOYSA-N","374664",NA,"PDBC51091","652764","Present"
-"N~2~-(3,4-Dimethoxyphenyl)-2,6-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4-Dimethoxyphenyl)-2,6-quinoxalinediamine","","COC1=C(C=C(C=C1)NC2=CN=C3C=C(C=CC3=N2)N)OC","UJPOBDQUXIYGCC-UHFFFAOYSA-N","374824",NA,"PDBC51092","653247","Present"
-"N~2~-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine","","COC1=C(C=C(C=C1)NC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N)OC","RKSHAXFGZMSRKU-UHFFFAOYSA-N","371167",NA,"PDBC51093","645168","Present"
-"N~2~-(3-Fluorophenyl)quinazoline-2,4-diamine","","","","","","","","","","","","","","","","","","","","NSC766757","","C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)F)N","GMSVPBCCVMQLIL-UHFFFAOYSA-N","653020",NA,"PDBC51094","766757","Present"
-"N~2~-(4-Fluorobenzyl)-2,6-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(4-Fluorobenzyl)-2,6-quinoxalinediamine","","C1=CC(=CC=C1CNC2=CN=C3C=C(C=CC3=N2)N)F","POCYLRPQBQIBBF-UHFFFAOYSA-N","376135",NA,"PDBC51095","656628","Present"
-"N~2~-(4-Fluorobenzyl)-2,7-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(4-Fluorobenzyl)-2,7-quinoxalinediamine","","C1=CC(=CC=C1CNC2=CN=C3C=CC(=CC3=N2)N)F","OTUFGIPDVXHSIZ-UHFFFAOYSA-N","374828",NA,"PDBC51096","653251","Present"
-"N~2~-(4-Fluorophenyl)-2,7-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(4-Fluorophenyl)-2,7-quinoxalinediamine","","C1=CC(=CC=C1NC2=CN=C3C=CC(=CC3=N2)N)F","HTIZKAZUXZHJRN-UHFFFAOYSA-N","374663",NA,"PDBC51097","652763","Present"
-"N~2~-(4-Methoxybenzyl)-2,6-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(4-Methoxybenzyl)-2,6-quinoxalinediamine","","COC1=CC=C(C=C1)CNC2=CN=C3C=C(C=CC3=N2)N","ZQVFJCORAHGQKA-UHFFFAOYSA-N","376134",NA,"PDBC51098","656627","Present"
-"N~2~-(4-Methoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine","","","","","","","","","","","","","","","","","","","","N~2~-(4-Methoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine","","COC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","CQKCOXZIDJJZCO-UHFFFAOYSA-N","371168",NA,"PDBC51099","645169","Present"
-"N~2~-(Methoxymethyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","N~2~-(Methoxymethyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine","","CN(C)C1=NC(=NC(=N1)N(C)COC)N(C)C","KEFZGWRGFATDGW-UHFFFAOYSA-N","375166",NA,"PDBC51100","654381","Present"
-"N~2~-(Trifluoroacetyl)glutamine","","","","","","","","","","","","","","","","","","","","N~2~-(Trifluoroacetyl)glutamine","","C(CC(=O)N)C(C(=O)O)NC(=O)C(F)(F)F","DZSRTQQASVFEBN-UHFFFAOYSA-N","362803",NA,"PDBC51101","627081","Present"
-"N~2~-Allyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine","","","","","","","","","","","","","","","","","","","","N~2~-Allyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine","","C=CCNC1=NC2=C(N=CN=C2S1)N","KWZGFNXRPUIMRL-UHFFFAOYSA-N","379273",NA,"PDBC51102","663779","Present"
-"N~2~-Phenyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine","","","","","","","","","","","","","","","","","","","","N~2~-Phenyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine","","C1=CC=C(C=C1)NC2=NC3=C(N=CN=C3S2)N","LXSHSMPIZAEETA-UHFFFAOYSA-N","367984",NA,"PDBC51103","638202","Present"
-"N~3~,N~3~,N~5~,N~5~-Tetraethyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~3~,N~5~,N~5~-Tetraethyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CCN(CC)C(=O)C1=C(NC(=C(C1)C(=O)N(CC)CC)C)C","ZTJPMPSEGYARKS-UHFFFAOYSA-N","377048",NA,"PDBC51104","658265","Present"
-"N~3~,N~3~,N~5~,N~5~-Tetraisopropyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~3~,N~5~,N~5~-Tetraisopropyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(CC(=C(N1)C)C(=O)N(C(C)C)C(C)C)C(=O)N(C(C)C)C(C)C","IMATVYPGZFFBLR-UHFFFAOYSA-N","376620",NA,"PDBC51105","657650","Present"
-"N~3~,N~5~-Bis(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=O)N(C(=O)N2C)C)C3=CC=CO3)C(=O)NC4=CC(=O)N(C(=O)N4C)C","RQSOLELHEAJKPH-UHFFFAOYSA-N","367759",NA,"PDBC51106","637698","Present"
-"N~3~,N~5~-Bis(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=O)N(C(=O)N2C)C)C3=C(C(=CC=C3)OC)O)C(=O)NC4=CC(=O)N(C(=O)N4C)C","PNNBJCYNRQUFFU-UHFFFAOYSA-N","367770",NA,"PDBC51107","637709","Present"
-"N~3~,N~5~-Bis(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC(=O)N(C(=O)N4C)C","MVEUAEJCMOZTJY-UHFFFAOYSA-N","367760",NA,"PDBC51108","637699","Present"
-"N~3~,N~5~-Bis(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=O)N(C(=O)N4C)C","LXVZFFQVPVCZLD-UHFFFAOYSA-N","367761",NA,"PDBC51109","637700","Present"
-"N~3~,N~5~-Bis(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(1,3-dioxoisoindol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(CC(=C(N1)C)C(=O)NC2=CC=CC3=C2C(=O)NC3=O)C(=O)NC4=CC=CC5=C4C(=O)NC5=O","ROTPTPMNOFUSHM-UHFFFAOYSA-N","377044",NA,"PDBC51110","658260","Present"
-"N~3~,N~5~-Bis(2,5-dimethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Bis(2,5-dimethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)OC)OC","XIZHRCBYZGAVAI-UHFFFAOYSA-N","361092",NA,"PDBC51111","623897","Present"
-"N~3~,N~5~-Bis(2,6-diethylphenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(2,6-diethylphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=C(C=CC=C4CC)CC)C)C","FBUGLGNPTQPWBY-UHFFFAOYSA-N","367687",NA,"PDBC51112","637618","Present"
-"N~3~,N~5~-Bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide","","CCC1=C(C(=CC=C1)CC)NC(=O)C2=CNC(=C(C2C3=CC(=C(C=C3)O)OC)C(=O)NC4=C(C=CC=C4CC)CC)C","OHHQMADANZMYNJ-UHFFFAOYSA-N","367692",NA,"PDBC51113","637623","Present"
-"N~3~,N~5~-Bis(2-ethoxyphenyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(2-ethoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CCOC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4OCC)C)C","ZNAXNOLCHXPUNU-UHFFFAOYSA-N","367702",NA,"PDBC51114","637633","Present"
-"N~3~,N~5~-Bis(2-ethoxyphenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(2-ethoxyphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CCOC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4OCC)C)C","DZZXHBJIEDKMAS-UHFFFAOYSA-N","367694",NA,"PDBC51115","637625","Present"
-"N~3~,N~5~-Bis(2-ethyl-6-methylphenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(2-ethyl-6-methylphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CCC1=CC=CC(=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=C(C=CC=C4CC)C)C)C)C","OUPPURRNWKTNLT-UHFFFAOYSA-N","367701",NA,"PDBC51116","637632","Present"
-"N~3~,N~5~-Bis(2-ethylphenyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(2-ethylphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CCC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4CC)C)C","SJGVDMBAYALBRI-UHFFFAOYSA-N","367771",NA,"PDBC51117","637710","Present"
-"N~3~,N~5~-Bis(2-hydroxypropyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Bis(2-hydroxypropyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(CC(=C(N1)C)C(=O)NCC(C)O)C(=O)NCC(C)O","GDFOJMSJUTWGHD-UHFFFAOYSA-N","377032",NA,"PDBC51118","658249","Present"
-"N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(1-naphthyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(1-naphthyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5OC","PIICTFYSKMHNAZ-UHFFFAOYSA-N","364526",NA,"PDBC51119","630912","Present"
-"N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C=CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC","IKARRKPPMMEGRD-VHEBQXMUSA-N","5932521",NA,"PDBC51120","623875","Present"
-"N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3OC)C)C)C(=O)NC4=CC=CC=C4OC","QXEQSJKXTSRLAI-UHFFFAOYSA-N","364522",NA,"PDBC51121","630908","Present"
-"N~3~,N~5~-Bis(3,4-dichlorophenyl)-4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Bis(3,4-dichlorophenyl)-4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=CO3)C(=O)NC4=CC(=C(C=C4)Cl)Cl","NKHVECLYGHEFCN-UHFFFAOYSA-N","367689",NA,"PDBC51122","637620","Present"
-"N~3~,N~5~-Bis(3,4-dichlorophenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N3,N5-Bis(3,4-dichlorophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=C(C=C4)Cl)Cl","CNRLMLZDFSCNFE-UHFFFAOYSA-N","367696",NA,"PDBC51123","637627","Present"
-"N~3~,N~5~-Bis(3,4-dichlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(3,4-dichlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC(=C(C=C4)Cl)Cl","YFTKTIWURXTAMJ-UHFFFAOYSA-N","367773",NA,"PDBC51124","637712","Present"
-"N~3~,N~5~-Bis(3-(bis(2-hydroxyethyl)amino)propyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Bis(3-(bis(2-hydroxyethyl)amino)propyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(CC(=C(N1)C)C(=O)NCCCN(CCO)CCO)C(=O)NCCCN(CCO)CCO","RUARZNSFJTXDKW-UHFFFAOYSA-N","376618",NA,"PDBC51125","657648","Present"
-"N~3~,N~5~-Bis(3-chlorophenyl)-4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Bis(3-chlorophenyl)-4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3F)C(=O)NC4=CC(=CC=C4)Cl","XOLLDCSYYGTANO-UHFFFAOYSA-N","367697",NA,"PDBC51126","637628","Present"
-"N~3~,N~5~-Bis(3-chlorophenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N3,N5-Bis(3-chlorophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=CC=C4)Cl","STDWFMOCUZSBSZ-UHFFFAOYSA-N","367740",NA,"PDBC51127","637679","Present"
-"N~3~,N~5~-Bis(3-methoxypropyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Bis(3-methoxypropyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(CC(=C(N1)C)C(=O)NCCCOC)C(=O)NCCCOC","IVWSURCQRNZQKH-UHFFFAOYSA-N","377040",NA,"PDBC51128","658256","Present"
-"N~3~,N~5~-Bis(4-(hydroxy(oxido)amino)phenyl)-4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","4-(2-Hydroxyphenyl)-2,6-dimethyl-N3,N5-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3O)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","GAEAEBKMNAJNMJ-UHFFFAOYSA-N","367704",NA,"PDBC51129","637635","Present"
-"N~3~,N~5~-Bis(4-ethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Bis(4-ethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)OCC)C)C","WGJZFLKYIYUYSP-UHFFFAOYSA-N","367695",NA,"PDBC51130","637626","Present"
-"N~3~,N~5~-Bis(4-ethoxyphenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(4-ethoxyphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)OCC)C)C","CTJHYLBAWNFFTC-UHFFFAOYSA-N","367768",NA,"PDBC51131","637707","Present"
-"N~3~,N~5~-Bis(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","3-N,5-N-Bis(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide","","CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=C(C=C4)OCC)C)C","QVJFTCJKUZPSNQ-UHFFFAOYSA-N","367742",NA,"PDBC51132","637681","Present"
-"N~3~,N~5~-Di(tert-butyl)-2,6-dimethyl-1,2,3,4-tetrahydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Di(tert-butyl)-2,6-dimethyl-1,2,3,4-tetrahydro-3,5-pyridinedicarboxamide","","CC1C(CC(=C(N1)C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C","FJYFISLNIKEFCS-UHFFFAOYSA-N","376619",NA,"PDBC51133","657649","Present"
-"N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=CC=CC=C1C2C(=C(NC(=C2C(=O)NCC3=CC=CC=C3)C)C)C(=O)NCC4=CC=CC=C4","JKUTXIHRZGUNIP-UHFFFAOYSA-N","365836",NA,"PDBC51134","633911","Present"
-"N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C=CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4","ZMSMNDIHLYDJDH-VHEBQXMUSA-N","5388220",NA,"PDBC51135","633913","Present"
-"N~3~,N~5~-Dibenzyl-4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Dibenzyl-4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)NCC4=CC=CC=C4","GXLKODREDDTNBO-UHFFFAOYSA-N","365866",NA,"PDBC51136","633941","Present"
-"N~3~,N~5~-Dibenzyl-4-(4-(dimethylamino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Dibenzyl-4-(4-(dimethylamino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)C(=O)NCC4=CC=CC=C4","MYVMJWUVBZXNBM-UHFFFAOYSA-N","366159",NA,"PDBC51137","634486","Present"
-"N~3~,N~5~-Dibenzyl-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N3,N5-Dibenzyl-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4","CMTOKSOROIDCMJ-UHFFFAOYSA-N","365877",NA,"PDBC51138","633954","Present"
-"N~3~,N~5~-Dibenzyl-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Dibenzyl-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC(=C(C=C3)O)OC)C(=O)NCC4=CC=CC=C4","UGNGKMLYERJFDD-UHFFFAOYSA-N","366161",NA,"PDBC51139","634488","Present"
-"N~3~,N~5~-Dibutyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Dibutyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CCCCNC(=O)C1=C(NC(=C(C1)C(=O)NCCCC)C)C","MNBAXUIFXWDQPI-UHFFFAOYSA-N","376647",NA,"PDBC51140","657677","Present"
-"N~3~,N~5~-Dibutyl-N~3~,N~5~,2,6-tetramethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Dibutyl-N~3~,N~5~,2,6-tetramethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CCCCN(C)C(=O)C1=C(NC(=C(C1)C(=O)N(C)CCCC)C)C","GKOUDCQHQZUOGS-UHFFFAOYSA-N","377029",NA,"PDBC51141","658246","Present"
-"N~3~,N~5~-Dibutyl-N~3~,N~5~-diethyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Dibutyl-N~3~,N~5~-diethyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CCCCN(CC)C(=O)C1=C(NC(=C(C1)C(=O)N(CC)CCCC)C)C","GEAAAXSFIVKZPF-UHFFFAOYSA-N","376645",NA,"PDBC51142","657675","Present"
-"N~3~,N~5~-Dicyclohexyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Dicyclohexyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CC1=C(CC(=C(N1)C)C(=O)NC2CCCCC2)C(=O)NC3CCCCC3","ZKHOZOKPBQCOQD-UHFFFAOYSA-N","377052",NA,"PDBC51143","658268","Present"
-"N~3~,N~5~-Dihexyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","","","","","","","","","","","","","","","","","","","N~3~,N~5~-Dihexyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide","","CCCCCCNC(=O)C1=C(NC(=C(C1)C(=O)NCCCCCC)C)C","DJISDVUIKNOKMJ-UHFFFAOYSA-N","377031",NA,"PDBC51144","658248","Present"
-"N~4~,N~5~-Bis(2-(2-pyridinyl)ethyl)-1H-imidazole-4,5-dicarbothioamide","","","","","","","","","","","","","","","","","","","","N~4~,N~5~-Bis(2-(2-pyridinyl)ethyl)-1H-imidazole-4,5-dicarbothioamide","","C1=CC=NC(=C1)CCNC(=S)C2=C(N=CN2)C(=S)NCCC3=CC=CC=N3","SLWIACRTJATKCU-UHFFFAOYSA-N","3005365",NA,"PDBC51145","694993","Present"
-"N~4~,N~6~-Dibenzyl-2,4,6-pyrimidinetriamine","","","","","","","","","","","","","","","","","","","","N~4~,N~6~-Dibenzyl-2,4,6-pyrimidinetriamine","","C1=CC=C(C=C1)CNC2=CC(=NC(=N2)N)NCC3=CC=CC=C3","QLGPIDFUQBUOEF-UHFFFAOYSA-N","388644",NA,"PDBC51146","683656","Present"
-"N~4~-(1-Adamantyl)-6-chloro-2,4-pyrimidinediamine","","","","","","","","","","","","","","","","","","","","N~4~-(1-Adamantyl)-6-chloro-2,4-pyrimidinediamine","","C1C2CC3CC1CC(C2)(C3)NC4=CC(=NC(=N4)N)Cl","CVXSFZWDGRUOFJ-UHFFFAOYSA-N","394862",NA,"PDBC51147","698951","Present"
-"N~4~-(2-Methoxyphenyl)-2,4,5,6-pyrimidinetetramine","","","","","","","","","","","","","","","","","","","","N~4~-(2-Methoxyphenyl)-2,4,5,6-pyrimidinetetramine","","COC1=CC=CC=C1NC2=NC(=NC(=C2N)N)N","GYPPUNPCXFGRNB-UHFFFAOYSA-N","390788",NA,"PDBC51148","688722","Present"
-"N~4~-(2-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine","","","","","","","","","","","","","","","","","","","","N~4~-(2-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine","","COC1=CC=CC=C1NC2=NC(=NC(=C2N=O)N)N","BHYJVVONQVFGIR-UHFFFAOYSA-N","390785",NA,"PDBC51149","688719","Present"
-"N~4~-(3,5-Dichlorophenyl)-6-methoxy-2,4-pyrimidinediamine","","","","","","","","","","","","","","","","","","","","N~4~-(3,5-Dichlorophenyl)-6-methoxy-2,4-pyrimidinediamine","","COC1=NC(=NC(=C1)NC2=CC(=CC(=C2)Cl)Cl)N","UQWPQHQZWLSFHE-UHFFFAOYSA-N","388055",NA,"PDBC51150","682515","Present"
-"N~4~-(3-Methoxyphenyl)-2,4,5,6-pyrimidinetetramine","","","","","","","","","","","","","","","","","","","","N~4~-(3-Methoxyphenyl)-2,4,5,6-pyrimidinetetramine","","COC1=CC=CC(=C1)NC2=NC(=NC(=C2N)N)N","OUBICDONMHNYPR-UHFFFAOYSA-N","390789",NA,"PDBC51151","688723","Present"
-"N~4~-(3-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine","","","","","","","","","","","","","","","","","","","","N~4~-(3-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine","","COC1=CC=CC(=C1)NC2=NC(=NC(=C2N=O)N)N","IYRNUFPZVBVIKU-UHFFFAOYSA-N","390786",NA,"PDBC51152","688720","Present"
-"N~4~-(4-Ethoxyphenyl)-2,4,5,6-pyrimidinetetramine","","","","","","","","","","","","","","","","","","","","N~4~-(4-Ethoxyphenyl)-2,4,5,6-pyrimidinetetramine","","CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2N)N)N","NBPUMJMPVWDNJC-UHFFFAOYSA-N","390790",NA,"PDBC51153","688724","Present"
-"N~4~-(4-Ethoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine","","","","","","","","","","","","","","","","","","","","N~4~-(4-Ethoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine","","CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2N=O)N)N","MBBRQEWKJBRPEO-UHFFFAOYSA-N","390787",NA,"PDBC51154","688721","Present"
-"N~4~-(6-((2-Amino-6-chloro-4-pyrimidinyl)amino)hexyl)-6-chloro-2,4-pyrimidinediamine","","","","","","","","","","","","","","","","","","","","N~4~-(6-((2-Amino-6-chloro-4-pyrimidinyl)amino)hexyl)-6-chloro-2,4-pyrimidinediamine","","C1=C(N=C(N=C1Cl)N)NCCCCCCNC2=CC(=NC(=N2)N)Cl","ADULCMDEVILOLH-UHFFFAOYSA-N","363997",NA,"PDBC51155","629619","Present"
-"N~4~-(6-Chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethyl-5-phenylpentane-1,4-diamine--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","4-N-(6-Chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethyl-5-phenylpentane-1,4-diamine;hydrochloride","","CCN(CC)CCCC(CC1=CC=CC=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC.Cl","ISBUXIXJLSJLAO-UHFFFAOYSA-N","24181640",NA,"PDBC51156","10593","Present"
-"N~4~-(7-Chloro-3-phenylquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine--hydrogen iodide (1/1)","","","","","","","","","","","","","","","","","","","","4-N-(7-Chloro-3-phenylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydroiodide","","CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1C3=CC=CC=C3)Cl.I","OTZHYAWSJGUWHI-UHFFFAOYSA-N","24182056",NA,"PDBC51157","13477","Present"
-"N~4~-(8-((2-Amino-6-chloro-4-pyrimidinyl)amino)octyl)-6-chloro-2,4-pyrimidinediamine","","","","","","","","","","","","","","","","","","","","N~4~-(8-((2-Amino-6-chloro-4-pyrimidinyl)amino)octyl)-6-chloro-2,4-pyrimidinediamine","","C1=C(N=C(N=C1Cl)N)NCCCCCCCCNC2=CC(=NC(=N2)N)Cl","GBSDXZVWFGECBR-UHFFFAOYSA-N","363998",NA,"PDBC51158","629620","Present"
-"N~5~-(4-Hydroxyphenyl)ornithine--hydrogen chloride (1/1)","","","","","","","","","","","","","","","","","","","","N~5~-(4-Hydroxyphenyl)ornithine--hydrogen chloride (1/1)","","C1=CC(=CC=C1NCCCC(C(=O)O)N)O.Cl","GSNSJGHJZVRHFW-UHFFFAOYSA-N","24199599",NA,"PDBC51159","337780","Present"
-"O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate","","","","","","","","","","","","","","","","","","","","O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate","","C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=S)OCC([N+](=O)[O-])([N+](=O)[O-])F","WMUNXAZWYPTWDQ-UHFFFAOYSA-N","329459",NA,"PDBC51160","312439","Present"
-"O-(1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl) dimethylthiocarbamate","","","","","","","","","","","","","","","","","","","","O-(1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl) dimethylthiocarbamate","","CN(C)C(=S)OC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl","IOCCOLQSVOYIJF-UHFFFAOYSA-N","368169",NA,"PDBC51161","638587","Present"
-"O-(1-Adamantyl) N-(3,4-dichlorobenzoyl)-N-phenylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-(1-Adamantyl) N-(3,4-dichlorobenzoyl)-N-phenylcarbamothioate","","C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC(=C(C=C5)Cl)Cl","UEDNLZFRVASMEF-UHFFFAOYSA-N","401360",NA,"PDBC51162","714672","Present"
-"O-(1-Adamantyl) N-(3,5-dichlorobenzoyl)-N-phenylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-(1-Adamantyl) N-(3,5-dichlorobenzoyl)-N-phenylcarbamothioate","","C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC(=CC(=C5)Cl)Cl","BMUGRENZVMZOCM-UHFFFAOYSA-N","401361",NA,"PDBC51163","714673","Present"
-"O-(1-Adamantyl) N-(4-chlorobenzoyl)-N-phenylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-(1-Adamantyl) N-(4-chlorobenzoyl)-N-phenylcarbamothioate","","C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl","LYESAFBGSIEUPG-UHFFFAOYSA-N","401359",NA,"PDBC51164","714671","Present"
-"O-(1-Adamantyl) N-(furan-2-carbonyl)-N-phenylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-(1-Adamantyl) N-(furan-2-carbonyl)-N-phenylcarbamothioate","","C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC=CO5","HOUZKBDTKJIVGP-UHFFFAOYSA-N","401363",NA,"PDBC51165","714675","Present"
-"O-(1-Adamantyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate","","","","","","","","","","","","","","","","","","","","O-(1-Adamantyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate","","COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)OC34CC5CC(C3)CC(C5)C4","OVULJPBLXYAXLU-UHFFFAOYSA-N","401362",NA,"PDBC51166","714674","Present"
-"O-(1-Adamantyl) N-phenyl-N-(thiophene-2-carbonyl)carbamothioate","","","","","","","","","","","","","","","","","","","","O-(1-Adamantyl) N-phenyl-N-(thiophene-2-carbonyl)carbamothioate","","C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC=CS5","IYSSWRXQUYKWHL-UHFFFAOYSA-N","401364",NA,"PDBC51167","714676","Present"
-"O-(2-Cyclohexen-1-yl) S-methyl butylimidothiocarbonate","","","","","","","","","","","","","","","","","","","","Cyclohex-2-en-1-yl (1E)-N-butyl-1-methylsulfanyl-methanimidate","","CCCCN=C(OC1CCCC=C1)SC","PNUUUXUAKXGWCV-UHFFFAOYSA-N","376267",NA,"PDBC51168","656974","Present"
-"O-(2-Oxochromen-7-yl) N,N-dimethylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-(2-Oxochromen-7-yl) N,N-dimethylcarbamothioate","","CN(C)C(=S)OC1=CC2=C(C=C1)C=CC(=O)O2","HKHBSEXPMPKERZ-UHFFFAOYSA-N","395496",NA,"PDBC51169","700138","Present"
-"O-(2-Phenoxyethyl) 2-furoyl(phenyl)thiocarbamate","","","","","","","","","","","","","","","","","","","","O-(2-Phenoxyethyl) 2-furoyl(phenyl)thiocarbamate","","C1=CC=C(C=C1)N(C(=O)C2=CC=CO2)C(=S)OCCOC3=CC=CC=C3","MUASZSXJGBBMCG-UHFFFAOYSA-N","396761",NA,"PDBC51170","703471","Present"
-"O-(2-Phenoxyethyl) N-(4-methoxybenzoyl)-N-phenylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-(2-Phenoxyethyl) N-(4-methoxybenzoyl)-N-phenylcarbamothioate","","COC1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C(=S)OCCOC3=CC=CC=C3","AWIMFMHQNLHSQO-UHFFFAOYSA-N","396759",NA,"PDBC51171","703469","Present"
-"O-(2-Phenoxyethyl) N-phenyl-N-(thiophene-2-carbonyl)carbamothioate","","","","","","","","","","","","","","","","","","","","O-(2-Phenoxyethyl) N-phenyl-N-(thiophene-2-carbonyl)carbamothioate","","C1=CC=C(C=C1)N(C(=O)C2=CC=CS2)C(=S)OCCOC3=CC=CC=C3","BDBFBFJSXFQEGB-UHFFFAOYSA-N","396762",NA,"PDBC51172","703472","Present"
-"O-(2-Pyridinylmethyl) 2,2-dimethylpropanoyl(phenyl)thiocarbamate","","","","","","","","","","","","","","","","","","","","O-(2-Pyridinylmethyl) 2,2-dimethylpropanoyl(phenyl)thiocarbamate","","CC(C)(C)C(=O)N(C1=CC=CC=C1)C(=S)OCC2=CC=CC=N2","BTBIPHRZQNWHFA-UHFFFAOYSA-N","391225",NA,"PDBC51173","690122","Present"
-"O-(2-Pyridinylmethyl) 2-furoyl(phenyl)thiocarbamate","","","","","","","","","","","","","","","","","","","","O-(2-Pyridinylmethyl) 2-furoyl(phenyl)thiocarbamate","","C1=CC=C(C=C1)N(C(=O)C2=CC=CO2)C(=S)OCC3=CC=CC=N3","JOSTYFOIRAELIK-UHFFFAOYSA-N","391227",NA,"PDBC51174","690124","Present"
-"O-(2-Pyridinylmethyl) 4-chlorobenzoyl(phenyl)thiocarbamate","","","","","","","","","","","","","","","","","","","","O-(2-Pyridinylmethyl) 4-chlorobenzoyl(phenyl)thiocarbamate","","C1=CC=C(C=C1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)OCC3=CC=CC=N3","JYMQQJOGFZIRNT-UHFFFAOYSA-N","391226",NA,"PDBC51175","690123","Present"
-"O-(2-Pyridinylmethyl) phenyl(2-thienylcarbonyl)thiocarbamate","","","","","","","","","","","","","","","","","","","","O-(2-Pyridinylmethyl) phenyl(2-thienylcarbonyl)thiocarbamate","","C1=CC=C(C=C1)N(C(=O)C2=CC=CS2)C(=S)OCC3=CC=CC=N3","STBJCOMJZRCVNI-UHFFFAOYSA-N","391228",NA,"PDBC51176","690125","Present"
-"O-(2-Pyridinylmethyl) phenyl(3,4,5-trimethoxybenzoyl)thiocarbamate","","","","","","","","","","","","","","","","","","","","O-(2-Pyridinylmethyl) phenyl(3,4,5-trimethoxybenzoyl)thiocarbamate","","COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)OCC3=CC=CC=N3","NAKZPLTVEMNQHD-UHFFFAOYSA-N","391229",NA,"PDBC51177","690126","Present"
-"O-(3,7-Dimethyloctyl) N-butylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-(3,7-Dimethyloctyl) N-butylcarbamothioate","","CCCCNC(=S)OCCC(C)CCCC(C)C","YYRAFGLCWHOADA-UHFFFAOYSA-N","3004101",NA,"PDBC51178","627365","Present"
-"O-(3,7-Dimethyloctyl) N-methylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-(3,7-Dimethyloctyl) N-methylcarbamothioate","","CC(C)CCCC(C)CCOC(=S)NC","ROFSWVDUYGCIAG-UHFFFAOYSA-N","3004100",NA,"PDBC51179","627364","Present"
-"O-(6-Chloro-4-methyl-2-oxochromen-7-yl) N,N-diethylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-(6-Chloro-4-methyl-2-oxochromen-7-yl) N,N-diethylcarbamothioate","","CCN(CC)C(=S)OC1=C(C=C2C(=CC(=O)OC2=C1)C)Cl","VHSJQWIXSZQWEF-UHFFFAOYSA-N","330532",NA,"PDBC51180","319468","Present"
-"O-(7-Hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzenecarbothioate","","","","","","","","","","","","","","","","","","","","O-(7-Hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzenecarbothioate","","COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=S)C4=CC=CC=C4)O","LSOPCVDIXDXVAS-UHFFFAOYSA-N","402866",NA,"PDBC51181","717155","Present"
-"O-(8-Hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzenecarbothioate","","","","","","","","","","","","","","","","","","","","O-(8-Hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzenecarbothioate","","COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)OC(=S)C4=CC=CC=C4","IKZDKHCUTFBVAG-UHFFFAOYSA-N","402865",NA,"PDBC51182","717154","Present"
-"O-(Chloroacetylcarbamoyl)fumagillol","","","","","","","","","","","","","","","","","","","","O-Chloroacetylcarbamoylfumagillol","","CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NC(=O)CCl)OC)C","MSHZHSPISPJWHW-PVDLLORBSA-N","369976",NA,"PDBC51183","642492","Present"
-"O-Benzyl-4-oxo-N-(trifluoroacetyl)homoserine","","","","","","","","","","","","","","","","","","","","4-(benzyloxy)-4-oxo-2-(2,2,2-trifluoroacetamido)-butanoi...","","C1=CC=C(C=C1)COC(=O)CC(C(=O)O)NC(=O)C(F)(F)F","VGWUKEAKQLJWTF-UHFFFAOYSA-N","381633",NA,"PDBC51184","668455","Present"
-"O-Benzylfluorescein benzyl ester","","","","","","","","","","","","","","","","","","","","O-Benzylfluorescein benzyl ester","","C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C4C=CC(=O)C=C4O3)C5=CC=CC=C5C(=O)OCC6=CC=CC=C6","YZJGKSLPSGPFEV-UHFFFAOYSA-N","371436",NA,"PDBC51185","645658","Present"
-"O-Butyl N-decylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-Butyl N-decylcarbamothioate","","CCCCCCCCCCNC(=S)OCCCC","OTFYKPQHFKHXPG-UHFFFAOYSA-N","3004096",NA,"PDBC51186","627360","Present"
-"O-Butyl N-dodecylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-Butyl N-dodecylcarbamothioate","","CCCCCCCCCCCCNC(=S)OCCCC","HYKHJVBLFVLXDD-UHFFFAOYSA-N","3004098",NA,"PDBC51187","627362","Present"
-"O-Carboxymethylhydroxylamine hemihydrochloride","","","","","","","","","","","","","","","","","","","","aminooxyacetic acid hemichloride","","C(C(=O)O)ON.Cl","IXMIEQPWCAPGKV-UHFFFAOYSA-N","10129958",NA,"PDBC51188","56446","Present"
-"O-Desmethylbouvardin","","","","","","","","","","","","","","","","","","","","desmethylbouvardin","","CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)O)C)C","YOCWDXULSGQNRW-UHFFFAOYSA-N","160296",NA,"PDBC51189","324579","Present"
-"O-Dodecyl N-butylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-Dodecyl N-butylcarbamothioate","","CCCCCCCCCCCCOC(=S)NCCCC","LWIBVTBZOBGYMD-UHFFFAOYSA-N","3004093",NA,"PDBC51190","627357","Present"
-"O-Dodecyl N-methylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-Dodecyl N-methylcarbamothioate","","CCCCCCCCCCCCOC(=S)NC","KGKDCSVLCYYRKX-UHFFFAOYSA-N","3004092",NA,"PDBC51191","627356","Present"
-"O-Ethyl [(2Z)-2-(2-methoxypropan-2-yloxyimino)-2-phenylethyl]sulfanylmethanethioate","","","","","","","","","","","","","","","","","","","","O-Ethyl [(2Z)-2-(2-methoxypropan-2-yloxyimino)-2-phenylethyl]sulfanylmethanethioate","","CCOC(=S)SCC(=NOC(C)(C)OC)C1=CC=CC=C1","OESIXMXWSGUZRI-DTQAZKPQSA-N","5907878",NA,"PDBC51192","680537","Present"
-"O-Ethylcolchifoline","","","","","","","","","","","","","","","","","","","","NSC353494","","CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","RSTAAABJXUCDEQ-KRWDZBQOSA-N","337012",NA,"PDBC51193","353494","Present"
-"O-Flutamide","","","","","","","","","","","","","","","","","","","","O-Flutamide","","CC(C)C(=O)NC1=C(C=CC(=C1)C(F)(F)F)[N+](=O)[O-]","ZMFQELZYFBRXFJ-UHFFFAOYSA-N","384646",NA,"PDBC51194","674689","Present"
-"O-MRA-CN-ol","","","","","","","","","","","","","","","","","","","","O-MRA-CN-ol","","CC1C2C(CC(O1)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(CO)O)O)N7C(COCC7O2)C#N","GRSNPZMOUCDOAG-UHFFFAOYSA-N","438486",NA,"PDBC51195","639649","Present"
-"O-Methyl (decylamino)methanethioate","","","","","","","","","","","","","","","","","","","","O-Methyl (decylamino)methanethioate","","CCCCCCCCCCNC(=S)OC","YLYFDVNILXLQQD-UHFFFAOYSA-N","3004095",NA,"PDBC51196","627359","Present"
-"O-Methyl N-dodecylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-Methyl N-dodecylcarbamothioate","","CCCCCCCCCCCCNC(=S)OC","MDPAXPPACDSBPT-UHFFFAOYSA-N","3004097",NA,"PDBC51197","627361","Present"
-"O-Methyl antimycin A1","","","","","","","","","","","","","","","","","","","","O-Methyl antimycin A1","","CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)CC(C)C.CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)C(C)CC","XEQUXGIRPDFUEY-SMBJCLKESA-N","404835",NA,"PDBC51198","721381","Present"
-"O-Methyl antimycin A2","","","","","","","","","","","","","","","","","","","","O-Methyl antimycin A2","","CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)CCC.CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)C(C)C","ILSQSGCRVLLXPY-PQDSNQCZSA-N","54611625",NA,"PDBC51199","721441","Present"
-"O-Methyl-concanamycin B","","","","","","","","","","","","","","","","","","","","O-methyl-concanamycin B","","CC=CC1C(C(CC(O1)(C(C)C(C(C)C2C(C=CC=C(CC(C(C(C(C(C=C(C=C(C(=O)O2)OC)C)C)O)C)O)C)C)OC)O)OC)OC3CC(C(C(O3)C)OC(=O)N)O)C","RKCMTKXTIVZCTQ-JYMVZCBESA-N","5468689",NA,"PDBC51200","674622","Present"
-"O-Methylhydroxylamine hydrochloride","","","","","","","","","","","","","","","","","","","","methoxyammonium chloride","","CON.Cl","XNXVOSBNFZWHBV-UHFFFAOYSA-N","521874",NA,"PDBC51201","3801","Present"
-"O-Methylpunjabine dihydrochloride","","","","","","","","","","","","","","","","","","","","O-methylpunjabine dihydrochloride","","CN1CCC2=CC(=C3C(=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C=O)OC)OC6=C(O3)C=C7CCN(C(=O)C7=C6)C)OC.Cl","XADFPCHITAMELY-YCBFMBTMSA-N","389056",NA,"PDBC51202","684698","Present"
-"O-Nonyl Methylaminomethanethioate","","","","","","","","","","","","","","","","","","","","O-nonyl N-methylcarbamothioate","","CCCCCCCCCOC(=S)NC","HNPYEGXKNYOIHI-UHFFFAOYSA-N","3004091",NA,"PDBC51203","627355","Present"
-"O-Nonyl N-pentylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-Nonyl N-pentylcarbamothioate","","CCCCCCCCCOC(=S)NCCCCC","FHUHRWZMHLYVEJ-UHFFFAOYSA-N","3004094",NA,"PDBC51204","627358","Present"
-"O-Phenethylnicotinaldoxime","","","","","","","","","","","","","","","","","","","","o-phenethylnicotinaldoxime","","C1=CC=C(C=C1)CCON=CC2=CN=CC=C2","JCVYFJONAJNXEU-FOWTUZBSSA-N","9561248",NA,"PDBC51205","37943","Present"
-"O-Phenylenediamine","","","","","","","","","","","","","","","","","","","","opda","","C1=CC=C(C(=C1)N)N","GEYOCULIXLDCMW-UHFFFAOYSA-N","7243",NA,"PDBC51206","5354","Present"
-"O-Phospho-DL-threonine","","","","","","","","","","","","","","","","","","","","dl-O-Phosphothreonine","","CC(C(C(=O)O)N)OP(=O)(O)O","USRGIUJOYOXOQJ-UHFFFAOYSA-N","1016",NA,"PDBC51207","89296","Present"
-"O-Undecyl isopropylthiocarbamate","","","","","","","","","","","","","","","","","","","","O-undecyl N-isopropylcarbamothioate","","CCCCCCCCCCCOC(=S)NC(C)C","HTLVEGKETFVLHM-UHFFFAOYSA-N","3004099",NA,"PDBC51208","627363","Present"
-"O-[(1-Acetyl-2-methoxy-2,3-dihydroindol-3-yl)] N-phenylcarbamothioate","","","","","","","","","","","","","","","","","","","","O-[(1-Acetyl-2-methoxy-2,3-dihydroindol-3-yl)] N-phenylcarbamothioate","","CC(=O)N1C(C(C2=CC=CC=C21)OC(=S)NC3=CC=CC=C3)OC","GJBWUJGCYBNASB-UHFFFAOYSA-N","3834352",NA,"PDBC51209","621856","Present"
-"O-[5-(6-Benzamidopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methylsulfanylmethanethioate","","","","","","","","","","","","","","","","","","","","O-[5-(6-Benzamidopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methylsulfanylmethanethioate","","CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)OC(=S)SC","KRWSBTMVAZGCMH-UHFFFAOYSA-N","356579",NA,"PDBC51210","613002","Present"
-"O-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methylsulfanylmethanethioate","","","","","","","","","","","","","","","","","","","","O-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methylsulfanylmethanethioate","","CC1(OC2C(C(OC2O1)CO[Si](C)(C)C(C)(C)C)OC(=S)SC)C","FPMWPZCUVFMELL-UHFFFAOYSA-N","390942",NA,"PDBC51211","689195","Present"
-"O1-Benzyl O5-methyl (5S)-3-acetyl-2-oxo-imidazolidine-1,5-dicarboxylate","","","","","","","","","","","","","","","","","","","","O1-Benzyl O5-methyl (5S)-3-acetyl-2-oxo-imidazolidine-1,5-dicarboxylate","","CC(=O)N1CC(N(C1=O)C(=O)OCC2=CC=CC=C2)C(=O)OC","ZLDGXHIWQQZTNU-LBPRGKRZSA-N","385475",NA,"PDBC51212","676709","Present"
-"O4,17-Didemethylhasubanonine","","","","","","","","","","","","","","","","","","","","hasubanonine,nor,4-demethyl","","COC1=C(C2=C(CCC34C2(CCN3)CC(=O)C(=C4OC)OC)C=C1)O","KTRLYLXLXTXHPM-UHFFFAOYSA-N","281987",NA,"PDBC51213","135031","Present"
-"OAM5T44TSB","","","","","","","","","","","","","","","","","","","","OAM5T44TSB","","CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3N2C5=CC=CC=C5","RRPZIPGTVAQGNK-UHFFFAOYSA-N","226107",NA,"PDBC51214","16219","Present"
-"OCCN1C2=C(C(c3cccc(Br)c3)c4cc5CCCc5cc14)C(=O)OC2","","","","","","","","","","","","","","","","","","","","NSC756084","","C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=CC=C5)Br)C(=O)OC4)CCO","OMVBTQBLPPMCEI-UHFFFAOYSA-N","118715235",NA,"PDBC51215","756084","Present"
-"OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5CCCc5cc14)C(=O)OC2","","","","","","","","","","","","","","","","","","","","NSC756085","","C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=CC=C5)Cl)C(=O)OC4)CCO","GDCFXRPYEWWCSY-UHFFFAOYSA-N","118715236",NA,"PDBC51216","756085","Present"
-"OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5OCCOc5cc14)C(=O)OC2","","","","","","","","","","","","","","","","","","","","NSC756088","","C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC(=CC=C5)Cl","CODMLZKFWBTQFC-UHFFFAOYSA-N","118715239",NA,"PDBC51217","756088","Present"
-"OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5OCOc5cc14)C(=O)OC2","","","","","","","","","","","","","","","","","","","","NSC756083","","C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC(=CC=C5)Cl)C(=O)O1","JGDIPVJHUIVZLE-UHFFFAOYSA-N","118715234",NA,"PDBC51218","756083","Present"
-"ODC100031","","","","","","","","","","","","","","","","","","","","ODC100031","","C1=CC=C2C(=C1)C(=CN2)CC3=NNC(=O)O3","JDBLFMXHUMRYKB-UHFFFAOYSA-N","398028",NA,"PDBC51219","707101","Present"
-"ODM-203","","","","","","","","","","","","","","","","","","","","ODM-203","","CN1C=C(C=N1)C2=CC3=C(C=C2)N(C=N3)C4=CC(=CC(=C4)NS(=O)(=O)C5CC5)C6=C(C=C(C=C6)F)F","ZJFCBQXPTQSTCZ-UHFFFAOYSA-N","71554322",NA,"PDBC51220","825521","Present"
-"OEELCQAYWKHKHV-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","OEELCQAYWKHKHV-UHFFFAOYSA-N","","COC1=NC(=O)NC2=C1C(C3=C(O2)NC(=O)N=C3OC)C4=CC=C(C=C4)[N+](=O)[O-]","OEELCQAYWKHKHV-UHFFFAOYSA-N","397541",NA,"PDBC51221","705849","Present"
-"OEG3LD2WZG","","","","","","","","","","","","","","","","","","","","OEG3LD2WZG","","CC1=C2C=CN=C(C2=C(C3=C1N(C4=CC=CC=C43)CC5=CC=CC=C5)C)C#N","ZIJDDIPODSODGY-UHFFFAOYSA-N","330469",NA,"PDBC51222","319073","Present"
-"OFJYEVPNPKDNFI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","OFJYEVPNPKDNFI-UHFFFAOYSA-N","","CC1=NNC(=O)N1C2=CN=CC=C2","OFJYEVPNPKDNFI-UHFFFAOYSA-N","386150",NA,"PDBC51223","677782","Present"
-"OFYWATWIUCJIGO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","OFYWATWIUCJIGO-UHFFFAOYSA-N","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])COS(=O)(=O)C)OC)OC","OFYWATWIUCJIGO-UHFFFAOYSA-N","393692",NA,"PDBC51224","696125","Present"
-"OG-L002","","","","","","","","","","","","","","","","","","","","OG-L002","","C1C(C1N)C2=CC=C(C=C2)C3=CC(=CC=C3)O","DSOJSZXQRJGBCW-CABCVRRESA-N","56639570",NA,"PDBC51225","825287","Present"
-"OGJOZPSURDGIJG-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","OGJOZPSURDGIJG-UHFFFAOYSA-N","","C1CC2=CC=CC=C2C3=NC4=CC=CC=C4C(=C3C1)N","OGJOZPSURDGIJG-UHFFFAOYSA-N","402666",NA,"PDBC51226","716852","Present"
-"OGMJVGSHINJNEX-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","OGMJVGSHINJNEX-UHFFFAOYSA-N","","CC1CN=C(S1)N(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl","OGMJVGSHINJNEX-UHFFFAOYSA-N","383613",NA,"PDBC51227","672031","Present"
-"OICR-9429","","","","","","","","","","","","","","","","","","","","OICR-9429","","CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC=CC(=C3)CN4CCOCC4)NC(=O)C5=CNC(=O)C=C5C(F)(F)F","DJOVLOYCGXNVPI-UHFFFAOYSA-N","91623360",NA,"PDBC51228","788992","Present"
-"OJEGKGGNZVAUDI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","OJEGKGGNZVAUDI-UHFFFAOYSA-N","","CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)O","OJEGKGGNZVAUDI-UHFFFAOYSA-N","385340",NA,"PDBC51229","676458","Present"
-"OJPUAKBCOCCESD-UHFFFAOYSA-M","","","","","","","","","","","","","","","","","","","","OJPUAKBCOCCESD-UHFFFAOYSA-M","","C1CC[N+](C1)(CC#N)CC2=CC=CC=N2.C1=CC=C(C=C1)S(=O)(=O)[O-]","OJPUAKBCOCCESD-UHFFFAOYSA-M","5458873",NA,"PDBC51230","368733","Present"
-"OKVIIDPNUHUPCM-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","OKVIIDPNUHUPCM-UHFFFAOYSA-N","","C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=C(C=C4)C(=O)NC(CO)CO)C=C(C=C2)[N+](=O)[O-])CCl","OKVIIDPNUHUPCM-UHFFFAOYSA-N","390505",NA,"PDBC51231","687937","Present"
-"ON-123300","","","","","","","","","","","","","","","","","","","","ON-123300","","CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=C(C(=O)N(C4=N3)C5CCCC5)C#N","VADOZMZXXRBXNY-UHFFFAOYSA-N","56649281",NA,"PDBC51232","802100","Present"
-"ONX-0801","","","","","","","","","","","","","","","","","","","","ONX-0801","","C#CCN(C1CCC2=CC3=C(C=C12)C(=O)NC(=N3)CO)C4=CC=C(C=C4)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","NVHRBQOZEMFKLD-QRKINALSSA-N","135817419",NA,"PDBC51233","764764","Present"
-"ONX-0805","","","","","","","","","","","","","","","","","","","","ONX-0805","","C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC=C(O4)C5=NC(=NC=C5)NC(=C3)C=C2","NNXDIGHYPZHXTR-ONEGZZNKSA-N","16750271",NA,"PDBC51234","772920","Present"
-"ONX-0914 TFA salt","","","","","","","","","","","","","","","","","","","","ONX-0914","","CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(CO3)C)NC(=O)CN4CCOCC4","WQAVPPWWLLVGFK-UPRQWNBRSA-N","89417058",NA,"PDBC51235","762152","Present"
-"OP449","","","","","","","","","","","","","","","","","","","","OP449","","","","",NA,"PDBC51236","781429","Present"
-"OR1785T","","","","","","","","","","","","","","","","","","","","OR1785T","","C1=CC(=C(C=C1C=CC2=C(C=CC(=C2)O)O)C(=O)O)O","AYPFKZQQTSLEJG-HNQUOIGGSA-N","5353259",NA,"PDBC51237","655253","Present"
-"OR305509","","","","","","","","","","","","","","","","","","","","OR305509","","CC1C(=O)C(=C2C1(C3=C(C=CC4=C3C2=C(C=C4)C)C)O)C","BBRNUTRKWSLVBB-UHFFFAOYSA-N","393209",NA,"PDBC51238","694697","Present"
-"OSU-03013","","","","","","","","","","","","","","","","","","","","OSU-03013","","C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)N=C(N)N)C(F)(F)F","UCOYIUOEXIYJFD-UHFFFAOYSA-N","10343467",NA,"PDBC51239","756658","Present"
-"OT-82","","","","","","","","","","","","","","","","","","","","OT-82","","C1=CC(=CC=C1C#CC2=C(C=CC(=C2)C(=O)NCCCC3=CNN=C3)C4=CC=NC=C4)F","CEPAXRIKSUXHHB-UHFFFAOYSA-N","118203189",NA,"PDBC51240","826040","Present"
-"OTATUOZZYQVDES-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","OTATUOZZYQVDES-UHFFFAOYSA-N","","C1=CC=NC(=C1)C(=O)C2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl","OTATUOZZYQVDES-UHFFFAOYSA-N","362931",NA,"PDBC51241","627407","Present"
-"OTS-964","","","","","","","","","","","","","","","","","","","","OTS-964","","CC1=CC(=C(C2=C1NC(=O)C3=C2C=CS3)C4=CC=C(C=C4)C(C)CN(C)C)O","XCFRUAOZMVFDPQ-AWEZNQCLSA-N","67448186",NA,"PDBC51242","787880","Present"
-"OTZHQSYUHGJWSQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","OTZHQSYUHGJWSQ-UHFFFAOYSA-N","","CC1=CC2=NC3=NC4=CC=CC=C4N=C3N2C=C1","OTZHQSYUHGJWSQ-UHFFFAOYSA-N","370915",NA,"PDBC51243","644717","Present"
-"OVB3-PE","","","","","","","","","","","","","","","","","","","","OVB3-PE","","","","",NA,"PDBC51244","623433","Present"
-"OWWXIRVQYPEQML-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","OWWXIRVQYPEQML-UHFFFAOYSA-N","","CC(C)N1CC2CN(CC(C1)C2=O)CC3=CC=CC=C3","OWWXIRVQYPEQML-UHFFFAOYSA-N","367171",NA,"PDBC51245","636665","Present"
-"Obovatine","","","","","","","","","","","","","","","","","","","","Obovatine","","CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC(=C5C6=C(C=CC7=C6NC8=C7CCN9CC1CC(C9C8(C1)C(=O)OC)CC)OC)O)C(=O)OC","IODACEQTCDJDBL-LSIICPEOSA-N","387126",NA,"PDBC51246","680530","Present"
-"Obscurolide A2","","","","","","","","","","","","","","","","","","","","Obscurolide A2","","CC(C=CC1C(CC(=O)O1)NC2=CC=C(C=C2)C=O)O","RYJWSNUDETVRFF-FARCUNLSSA-N","5467708",NA,"PDBC51247","657963","Present"
-"Ochraceolide A","","","","","","","","","","","","","","","","","","","","Ochraceolide A","","CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC5(C4C6C(C5)OC(=O)C6=C)C)C)C)C","YCZVTFNLKYNKPH-JLHSILEKSA-N","386922",NA,"PDBC51248","680072","Present"
-"Oct-2-ynyl 2-diazo-2-diphenylphosphoryl-acetate","","","","","","","","","","","","","","","","","","","","2-Diazonio-2-(diphenylphosphoryl)-1-(oct-2-yn-1-yloxy)ethenolate","","CCCCCC#CCOC(=O)C(=[N+]=[N-])P(=O)(C1=CC=CC=C1)C2=CC=CC=C2","UHTKGZIQTSOTIA-UHFFFAOYSA-N","379010",NA,"PDBC51249","662776","Present"
-"Octadecylphosphocholine","","","","","","","","","","","","","","","","","","","","octadecylphosphocholine","","CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C","ZBNJXSZNWZUYCI-UHFFFAOYSA-N","125219",NA,"PDBC51250","282880","Present"
-"Octahydro-1,4:5,8-diepoxynaphthalene-4a,8a-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","NSC665616///NSC665617","","C1CC2C3(C4CCC(C3(C1O2)C(=O)O)O4)C(=O)O","RQHFXDCVBSUHLC-UHFFFAOYSA-N","273867",NA,"PDBC51251","665616///665617","Present"
-"Octahydro-1H,3H-isoxazolo[3,4-a]indolizine","","","","","","","","","","","","","","","","","","","","Octahydro-1H,3H-isoxazolo[3,4-a]indolizine","","C1CCN2CC3CONC3C2C1","LHHRBIWZPVNRDS-UHFFFAOYSA-N","365496",NA,"PDBC51252","633174","Present"
-"Octahydro-2H-quinolizine-1-methanol palmitate","","","","","","","","","","","","","","","","","","","","2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl hexadecanoate","","CCCCCCCCCCCCCCCC(=O)OCC1CCCN2C1CCCC2","YLWCISRZRCPRIT-UHFFFAOYSA-N","3574666",NA,"PDBC51253","685526","Present"
-"Octahydro-2h-quinolizin-1-ylmethyl pyridine-4-carboxylate hydrochloride","","","","","","","","","","","","","","","","","","","","Octahydro-2h-quinolizin-1-ylmethyl pyridine-4-carboxylate hydrochloride","","C1CCN2CCCC(C2C1)COC(=O)C3=CC=NC=C3.Cl","KIPNBDUOVUEHKH-UHFFFAOYSA-N","390687",NA,"PDBC51254","688320","Present"
-"Octahydro-5bH-cyclopropa[cd]indene-5b-carboxylic acid","","","","","","","","","","","","","","","","","","","","Octahydro-5bH-cyclopropa[cd]indene-5b-carboxylic acid","","C1CC2CCC3C2(C3C1)C(=O)O","IKGJMOHMGNULGI-UHFFFAOYSA-N","363361",NA,"PDBC51255","628244","Present"
-"Octamethyl 2,4-cycloheptadiene-1,1,2,3,4,5,6,7-octacarboxylate","","","","","","","","","","","","","","","","","","","","Cyclohepta-1,3-diene-1,2,3,4,5,5,6,7-octacarboxylic acid...","","COC(=O)C1C(C(C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC","WXVSEVMFXFCFKU-UHFFFAOYSA-N","361816",NA,"PDBC51256","625133","Present"
-"Octanamide, 2-amino-N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hexyl-","","","","","","","","","","","","","","","","","","","","Octanamide, 2-amino-N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hexyl-","","CCCCCCC(CCCCCC)(C(=O)NN1C(=CC=C1C)C)N","SYDFYTUGXOUCAB-UHFFFAOYSA-N","380384",NA,"PDBC51257","665899","Present"
-"Octane;pentane-2,4-dione;tin(4+)","","","","","","","","","","","","","","","","","","","","NSC644936","","CCCCCCC[CH2-].CCCCCCC[CH2-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Sn+4]","MTBVDKSFTCGOTN-UHFFFAOYSA-N","371041",NA,"PDBC51258","644936","Present"
-"Octanethio isosampangine","","","","","","","","","","","","","","","","","","","","octylsulfanyl[?]one","","CCCCCCCCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","QPRWVOZNAPWHKA-UHFFFAOYSA-N","46854321",NA,"PDBC51259","723388","Present"
-"Octoxinol","","","","","","","","","","","","","","","","","","","","triton x","","CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO","JYCQQPHGFMYQCF-UHFFFAOYSA-N","5590",NA,"PDBC51260","406472","Present"
-"Octreotide (acetate)","","","","","","","","","","","","","","","","","","","","Sandostatin","","CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O.CC(=O)O","XQEJFZYLWPSJOV-UHFFFAOYSA-N","383413",NA,"PDBC51261","672461","Present"
-"Octyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate","","","","","","","","","","","","","","","","","","","","Octyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate","","CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCCCC","LRLGLEQMLRPVTP-UHFFFAOYSA-N","370530",NA,"PDBC51262","643757","Present"
-"Octyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Octyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride","","CCCCCCCCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C.Cl","WXICJNNYNGCHPJ-YNYSCKANSA-N","136040164",NA,"PDBC51263","753664","Present"
-"Octyl gallate","","","","","","","","","","","","","","","","","","","","progallin o","","CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O","NRPKURNSADTHLJ-UHFFFAOYSA-N","61253",NA,"PDBC51264","97419","Present"
-"Odoroside H","","","","","","","","","","","","","","","","","","","","Odoroside H","","CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O","VPUNMTHWNSJUOG-QWKCNQPQSA-N","24202596",NA,"PDBC51265","707148","Present"
-"Oil Orange ss","","","","","","","","","","","","","","","","","","","","Oil Orange SS","","CC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O","BQFCCCIRTOLPEF-UHFFFAOYSA-N","17550",NA,"PDBC51266","58044","Present"
-"Oil Red EGN","","","","","","","","","","","","","","","","","","","","oil red ob","","CC1=CC=CC=C1N=NC2=C(C=C(C(=C2)C)N=NC3=C(C=CC4=CC=CC=C43)O)C","NRBKWAQSLYBVSG-UHFFFAOYSA-N","62541",NA,"PDBC51267","115877","Present"
-"Okinonellin B","","","","","","","","","","","","","","","","","","","","Okinonellin B","","CC1C(C(OC1=O)CC(=C)CCCC(=CC=CC(C)CCCC2=COC=C2)C)O","RJBUJQUSGFZAMF-ZGKSJMQASA-N","5470431",NA,"PDBC51268","701649","Present"
-"Oldagen","","","","","","","","","","","","","","","","","","","","oldagen","","C1CN(CCN(C1)CCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl","JQOGQVPDLQTZQC-UHFFFAOYSA-N","54610478",NA,"PDBC51269","169880","Present"
-"Oleaside A","","","","","","","","","","","","","","","","","","","","Oleaside A","","CC1C(C(CC(O1)OC2CCC3(C(C2)CCC45C3CCC(C4=O)(C(CC5)C6=CC(=O)OC6)C)C)OC)O","DFDVWAJDFYYBAC-UHFFFAOYSA-N","434211",NA,"PDBC51270","345646","Present"
-"Oleficin, disodium salt","","","","","","","","","","","","","","","","","","","","Oleficin, disodium salt","","CC1C(C(CC(O1)OC(C(C)C)C(C)C=C(C)C=CC=CC=CC=CC=CC(=C2C(=O)C(N(C2=O)C)CCC(=O)O)O)O)O.[Na+]","FUPDRQDXZCLODS-MORYQLHFSA-N","54708171",NA,"PDBC51271","611000","Present"
-"Oleic acid","","","","","","","","","","","","","","","","","","","","red oil","","CCCCCCCCC=CCCCCCCCC(=O)O","ZQPPMHVWECSIRJ-KTKRTIGZSA-N","445639",NA,"PDBC51272","9856","Present"
-"Oligomycin B","","","","","","","","","","","","","","","","","","","","Oligomycin B","","CCC1CCC2C(C(C(C3(O2)C(=O)CC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C","QPRQJOHKNJIMGN-CPQVXFHYSA-N","5472286",NA,"PDBC51273","717695","Present"
-"Oligomycin C","","","","","","","","","","","","","","","","","","","","Oligomycin C","","CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)C)C)O)C)C)O)C)C","CMMLZMMKTYEOKV-HQCSJJBPSA-N","5472287",NA,"PDBC51274","717696","Present"
-"Oliverine","","","","","","","","","","","","","","","","","","","","oliverine","","CN1CCC2=CC3=C(C4=C2C1C(C5=C4C=CC(=C5)OC)OC)OCO3.Cl","XCRFUDLMWTVMSG-UHFFFAOYSA-N","24198103",NA,"PDBC51275","287450","Present"
-"Oliveroline","","","","","","","","","","","","","","","","","","","","oliveroline","","CN1CCC2=CC3=C(C4=C2C1C(C5=CC=CC=C54)O)OCO3.Cl","SMCWYRTZZQNLFM-UHFFFAOYSA-N","3085243",NA,"PDBC51276","287451","Present"
-"Olivomycin Transformation","","","","","","","","","","","","","","","","","","","","Olivomycin Transformation","","CC1C(C(CC(O1)OC2C(CC3=CC4=CC(=CC(=C4C(=C3C2=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC)O)OC(=O)C)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)O","VOCVKOYZZDEWNO-KLYDQOSYSA-N","54610760",NA,"PDBC51277","274539","Present"
-"Olmesartan","","","","","","","","","","","","","","","","","","","Olmesartan","","","CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O","VTRAEEWXHOVJFV-UHFFFAOYSA-N","158781",NA,"PDBC51278","","Absent"
-"Olmutinib","","","","","","","","","","","","","","","","","","","","olmutinib///BI-1482694","","CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)SC=C4","FDMQDKQUTRLUBU-UHFFFAOYSA-N","54758501",NA,"PDBC51279","792848///800980","Present"
-"Olomoucine","","","","","","","","","","","","","","","","","","","","olomoucine","","CN1C=NC2=C(N=C(N=C21)NCCO)NCC3=CC=CC=C3","GTVPOLSIJWJJNY-UHFFFAOYSA-N","4592",NA,"PDBC51280","666096","Present"
-"Olutasidenib","","","","","","","","","","","","","","","","","","","","FT-2102","","CC(C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N","NEQYWYXGTJDAKR-JTQLQIEISA-N","118955396",NA,"PDBC51281","818621","Present"
-"Ombrabulin","","","","","","","","","","","","","","","","","","","","Ombrabulin","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C(CO)N","IXWNTLSTOZFSCM-YVACAVLKSA-N","6918405",NA,"PDBC51282","778448","Present"
-"Omdpi","","","","","","","","","","","","","","","","","","","","PX-316","","CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)O)OC","GJZGRYXGQBWBEB-AVMFAVRISA-N","399457",NA,"PDBC51283","710297","Present"
-"Oncocalyxone A","","","","","","","","","","","","","","","","","","","","Oncocalyxone A","","CC12CC3=C(C=C1C(=CCC2O)CO)C(=O)C=C(C3=O)OC","MRGIIGDGPRVYJG-WBVHZDCISA-N","404386",NA,"PDBC51284","720597","Present"
-"Ondansetron hydrochloride","","","","","","","","","","","","","","","","","","","","Ondansetron Hydrochloride","","CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl","MKBLHFILKIKSQM-UHFFFAOYSA-N","68647",NA,"PDBC51285","665799","Present"
-"Oosporein","","","","","","","","","","","","","","","","","","","","oosporin","","CC1=C(C(=O)C(=C(C1=O)O)C2=C(C(=O)C(=C(C2=O)O)C)O)O","DHMPJEGFPQTNFX-UHFFFAOYSA-N","135426831",NA,"PDBC51286","88466","Present"
-"Opera_ID_1221","","","","","","","","","","","","","","","","","","","","Opera_ID_1221","","C1=CC=C(C(=C1)C(=O)CC2(C3=CC=CC=C3NC2=O)O)O","UAEJHGCEFAFLIJ-UHFFFAOYSA-N","359743",NA,"PDBC51287","621189","Present"
-"Opipramol dihydrochloride","","","","","","","","","","","","","","","","","","","Opipramol dihydrochloride","","","C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO.Cl.Cl","DLTOEESOSYKJBK-UHFFFAOYSA-N","71587",NA,"PDBC51288","","Absent"
-"Oragrafin Sodium","","","","","","","","","","","","","","","","","","","","biloptin","","CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)O)I)I.[Na+]","ZFHZUGUCWJVEQC-UHFFFAOYSA-N","16051997",NA,"PDBC51289","106962","Present"
-"Orange Astrazon R","","","","","","","","","","","","","","","","","","","","nabor orange r","","CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C)C","VEIQMIFGPISKCW-UHFFFAOYSA-N","135436499",NA,"PDBC51290","4434","Present"
-"Orbinamon","","","","","","","","","","","","","","","","","","","","NSC108165///NSC757350","","CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C","GFBKORZTTCHDGY-UFWORHAWSA-N","941650",NA,"PDBC51291","108165///757350","Present"
-"Orcein","","","","","","","","","","","","","","","","","","","","2,8-bis(2,4-dihydroxy-6-methylphenylamino)-1,9-dimethyld...","","CC1=CC(=CC(=C1NC2=C(C3=C(C=C2O)OC4=CC(=O)C(=NC5=C(C=C(C=C5C)O)O)C(=C43)C)C)O)O","QFIIYGZAUXVPSZ-UHFFFAOYSA-N","72685",NA,"PDBC51292","610930","Present"
-"Orelabrutinib","","","","","","","","","","","","","","","","","","","","Orelabrutinib","","C=CC(=O)N1CCC(CC1)C2=NC(=C(C=C2)C(=O)N)C3=CC=C(C=C3)OC4=CC=CC=C4","MZPVEMOYADUARK-UHFFFAOYSA-N","91667513",NA,"PDBC51293","826039","Present"
-"Oridonin (thiol adduct OF)","","","","","","","","","","","","","","","","","","","","ORIDONIN (THIOL ADDUCT OF)","","CCCCCCCSCC1C2CCC3C45COC(C3(C2O)C1=O)(C(C4C(CCC5O)(C)C)O)O","SAHCNJNBEXQOTH-UHFFFAOYSA-N","432952",NA,"PDBC51294","319730","Present"
-"Ortho Betaine","","","","","","","","","","","","","","","","","","","","Ortho Betaine","","CC1=CC(=C(C(=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[O-])C","QOTGVYBPXSCGMG-UHFFFAOYSA-N","364982",NA,"PDBC51295","631884","Present"
-"Ortho-topolin riboside","","","","","","","","","","","","","","","","","","","","ortho-topolin riboside","","C1=CC=C(C(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)O","URVCVGNFSZHAOA-UHFFFAOYSA-N","13506406",NA,"PDBC51296","736740","Present"
-"Oryzalin","","","","","","","","","","","","","","","","","","","","surflan","","CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]","UNAHYJYOSSSJHH-UHFFFAOYSA-N","29393",NA,"PDBC51297","648479","Present"
-"Osirisyne A","","","","","","","","","","","","","","","","","","","","Osirisyne A","","C#CC(C=CC(CCCC(CC#CC(C#CC(CCCC(C=CCCCCCC(=O)CCCCCCCCCCCCCC(C(C#CC(=O)O)O)O)O)O)O)O)O)O","WQBFBFNWOXQTCY-BRMFWMODSA-N","5470164",NA,"PDBC51298","698229","Present"
-"Osirisyne B","","","","","","","","","","","","","","","","","","","","Osirisyne B","","C#CC(C=CC(CCCC(CC#CC(C#CCCCCC(C=CCCCCCC(=O)CCCCCCCCCCCCCC(C(C#CC(=O)O)O)O)O)O)O)O)O","DHSSYQMKWZSZRR-UAPJGMTNSA-N","5470165",NA,"PDBC51299","698230","Present"
-"Osirisyne C","","","","","","","","","","","","","","","","","","","","Osirisyne C","","C#CC(C=CC(CCCC(CC#CC(C#CC(CCCC(C=CCCCC(=O)CCCCCCCCCCCCCCCC(C(C#CC(=O)O)O)O)O)O)O)O)O)O","VOVIZIGRYJWSMB-BRMFWMODSA-N","5470166",NA,"PDBC51300","698231","Present"
-"Osirisyne D","","","","","","","","","","","","","","","","","","","","Osirisyne D","","C#CC(C=CC(CCCC(CC#CC(C#CCCCCC(C=CCCCC(=O)CCCCCCCCCCCCCCCC(C(C#CC(=O)O)O)O)O)O)O)O)O","USYFRMJGFGCOEV-OTNHXOQOSA-N","5470167",NA,"PDBC51301","698232","Present"
-"Osirisyne E","","","","","","","","","","","","","","","","","","","","Osirisyne E","","C#CC(C=CC(CCCC(CC#CC(C#CCCCCC(C=CCCCC(C=CCCCCCCCCCCCCCC(C(C#CC(=O)O)O)O)O)O)O)O)O)O","NIZILVGZRWGVQW-FRAQYRCGSA-N","5470168",NA,"PDBC51302","698233","Present"
-"Ossamycin","","","","","","","","","","","","","","","","","","","","ossamycin","","CCC(CC1CCCC2(O1)CC3C(C(O2)CC4(C(CC(O4)(C)C)C=CCCCCCC(C(C(C(C(C(C(C=CC(=O)O3)(C)O)O)C)O)OC5CCC(C(O5)C)N(C)C)O)(C)O)O)C)O","XGECDDPXIKFBTE-ZVNFYDRVSA-N","5351598",NA,"PDBC51303","76627","Present"
-"Osthenol","","","","","","","","","","","","","","","","","","","","Osthenol","","CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C","RAKJVIPCCGXHHS-UHFFFAOYSA-N","5320318",NA,"PDBC51304","625328","Present"
-"Ostreogrycin a","","","","","","","","","","","","","","","","","","","","NSC244426///NSC87432","","CC1C=CC(=O)NCC=CC(=CC(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C","DAIKHDNSXMZDCU-RLJJXFIZSA-N","5354042",NA,"PDBC51305","244426///87432","Present"
-"Otenzepad","","","","","","","","","","","","","","","","","","","","Otenzepad","","CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4","UBRKDAVQCKZSPO-UHFFFAOYSA-N","107867",NA,"PDBC51306","664529","Present"
-"Otophylloside glycoside (kunming)","","","","","","","","","","","","","","","","","","","","OTOPHYLLOSIDE GLYCOSIDE (KUNMING)","","CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C6CC(C7(C(CCC7(C6(CC=C5C4)O)O)(C(=O)C)O)C)OC(=O)C8=CC=C(C=C8)O)C)C)C)OC)O.CC(=O)C1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C5=CC=C(C=C5)O)C)O)O","QQTGOJBVMPRAPO-UHFFFAOYSA-N","435956",NA,"PDBC51307","379667","Present"
-"Oudenone K","","","","","","","","","","","","","","","","","","","","oudenone k","","CCCC1CCC(=C2C(=O)CCC2=O)O1.[K+]","CDHRIHSLIMKXKU-UHFFFAOYSA-N","5458488",NA,"PDBC51308","252926","Present"
-"Ovalicine subst.","","","","","","","","","","","","","","","","","","","","Ovalicine subst.","","CC(=CCC1C(O1)(C)C2(C(C(=O)CCC23CO3)OC)O)C","NESRXFGQJARQNM-UHFFFAOYSA-N","284995",NA,"PDBC51309","141538","Present"
-"Ovatifolin acetate","","","","","","","","","","","","","","","","","","","","Ovatifolin acetate","","CC1=CC2C(C(CC(=CCC1)COC(=O)C)OC(=O)C)C(=C)C(=O)O2","XHXJJRRYKOSPKP-IFXYYXOISA-N","5358419",NA,"PDBC51310","251668","Present"
-"Oxa-glycol","","","","","","","","","","","","","","","","","","","","NSC645594","","CC1C(=O)N2CCS(=O)(=O)N3CCCC3C2(O1)O","QOSWFGIZVQRPNU-OYNCUSHFSA-N","126099",NA,"PDBC51311","645594","Present"
-"Oxalic acid;2-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline","","","","","","","","","","","","","","","","","","","","2-{2-[4-(3-Phenylpropyl)piperazin-1-yl]ethyl}aniline ethanedioate","","C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC=CC=C3N.C(=O)(C(=O)O)O","WOTDLFASHYDOSH-UHFFFAOYSA-N","401853",NA,"PDBC51312","715558","Present"
-"Oxalic acid;3-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline","","","","","","","","","","","","","","","","","","","","3-{2-[4-(3-Phenylpropyl)piperazin-1-yl]ethyl}aniline ethanedioate","","C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC(=CC=C3)N.C(=O)(C(=O)O)O","FHMOQXPULHHSHR-UHFFFAOYSA-N","401855",NA,"PDBC51313","715559","Present"
-"Oxalic acid;4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline","","","","","","","","","","","","","","","","","","","","4-{2-[4-(3-Phenylpropyl)piperazin-1-yl]ethyl}aniline ethanedioate","","C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC=C(C=C3)N.C(=O)(C(=O)O)O","UOFZGYXIKXKGDS-UHFFFAOYSA-N","401849",NA,"PDBC51314","715556","Present"
-"Oxamide","","","","","","","","","","","","","","","","","","","","OXAMIDE","","C(=O)(C(=O)N)N","YIKSCQDJHCMVMK-UHFFFAOYSA-N","10113",NA,"PDBC51315","2770","Present"
-"Oxanosine","","","","","","","","","","","","","","","","","","","","Oxanosine","","C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(OC2=O)N","PWVUOVPUCZNICU-UHFFFAOYSA-N","338182",NA,"PDBC51316","359452","Present"
-"Oxanthrazole","","","","","","","","","","","","","","","","","","","","Oxanthrazole","","C1=CC(=NCCCN)C2=C(C3=C(C=CC(=O)C3=C4C2=C1N(N4)CCNCCO)O)O.Cl","AWVHFDOHKFRHKQ-UHFFFAOYSA-N","135502299",NA,"PDBC51317","349174","Present"
-"Oxazolidine, 2-ethyl-3-isopropyl-","","","","","","","","","","","","","","","","","","","","Oxazolidine, 2-ethyl-3-isopropyl-","","CCC1N(CCO1)C(C)C","ZTZCQKQDVOHJEH-UHFFFAOYSA-N","247387",NA,"PDBC51318","61862","Present"
-"Oxazolo[2,3-f]purine-2,4(1H,3H)-dione, 6-(chloromethyl)-6,7-dihydro-1,3-dimethyl-","","","","","","","","","","","","","","","","","","","","Oxazolo[2,3-f]purine-2,4(1H,3H)-dione, 6-(chloromethyl)-6,7-dihydro-1,3-dimethyl-","","CN1C2=C(C(=O)N(C1=O)C)N3C(COC3=N2)CCl","GNPSCJBKYWYTEV-UHFFFAOYSA-N","368739",NA,"PDBC51319","639883","Present"
-"Oxf BD 02","","","","","","","","","","","","","","","","","","","","3-(3,5-dimethylisoxazol-4-yl)-5-(hydroxy(phenyl)methyl)p...","","CC1=C(C(=NO1)C)C2=CC(=CC(=C2)O)C(C3=CC=CC=C3)O","FEQUIPXIENTMJN-UHFFFAOYSA-N","56929801",NA,"PDBC51320","772561","Present"
-"Oxfendazole","","","","","","","","","","","","","","","","","","","","oxfendazole (usan)","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3","BEZZFPOZAYTVHN-UHFFFAOYSA-N","40854",NA,"PDBC51321","758943","Present"
-"Oxiconazole nitrate","","","","","","","","","","","","","","","","","","","","oxiconazole nitrate (usan)","","C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]","WVNOAGNOIPTWPT-NDUABGMUSA-N","9556529",NA,"PDBC51322","758958","Present"
-"Oxidanium;azane;cobalt(3+);acetate;perchlorate","","","","","","","","","","","","","","","","","","","","Tetrammineaquoacetatocobalt(III)perchlorate","","CC(=O)[O-].N.N.N.N.[OH3+].[O-]Cl(=O)(=O)=O.[Co+3]","ODUBOVIWQXKFFM-UHFFFAOYSA-M","24202154",NA,"PDBC51323","630656","Present"
-"Oxidanium;zinc;2-(2-carboxylatoanilino)benzoate","","","","","","","","","","","","","","","","","","","","Oxidanium;zinc;2-(2-carboxylatoanilino)benzoate","","C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2C(=O)[O-].[OH3+].[Zn+2]","KBTXGJMBCWQUNY-UHFFFAOYSA-M","24202387",NA,"PDBC51324","646290","Present"
-"Oxidanium;zinc;2-[(E)-carbamoylazanidyliminomethyl]-6-methoxyphenolate","","","","","","","","","","","","","","","","","","","","NSC638267","","COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.[OH3+].[Zn+2]","XOGPFWIPNNQOIP-UHFFFAOYSA-M","24202303",NA,"PDBC51325","638267","Present"
-"Oxidopamine hydrochloride","","","","","","","","","","","","","","","","","","","","oxidopamine","","C1=C(C(=CC(=C1O)O)O)CCN.Cl","QLMRJHFAGVFUAC-UHFFFAOYSA-N","160157",NA,"PDBC51326","233898","Present"
-"Oximidine 189B","","","","","","","","","","","","","","","","","","","","Oximidine 189B","","CON=CC=CC(=O)NC=CCC1C=CC(C=CC=CC2=C(C(=CC=C2)O)C(=O)O1)O","YILZDELPUIJTQG-QYPKZVLMSA-N","155815593",NA,"PDBC51327","801657","Present"
-"Oxindole-Based Inhibitor 20","","","","","","","","","","","","","","","","","","","","GW280670X","","C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)Cl)O)S(=O)(=O)N","ZERGASSJZLEYGD-UHFFFAOYSA-N","135434965",NA,"PDBC51328","756201","Present"
-"Oxindole-Based Inhibitor 22","","","","","","","","","","","","","","","","","","","","GW276655X","","C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)C4=CN=CO4)O)S(=O)(=O)N","XWSWBBJOBJLNNN-UHFFFAOYSA-N","135418490",NA,"PDBC51329","756198","Present"
-"Oxindole-Based Inhibitor 66","","","","","","","","","","","","","","","","","","","","GW300653X","","CC(C)C1=CC2=C(C=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)S(=O)(=O)N","BXOSDELNTKJOFY-UHFFFAOYSA-N","135434994",NA,"PDBC51330","756211","Present"
-"Oxindole-Based Inhibitor 72","","","","","","","","","","","","","","","","","","","","GW279320X","","CC1=CC(=CC2=C1NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)Cl","UPAYQAVEXCQREB-UHFFFAOYSA-N","135434999",NA,"PDBC51331","756200","Present"
-"Oxiran-2-ylmethyl thiophene-2-carboxylate","","","","","","","","","","","","","","","","","","","","2-Thiophenecarboxylic acid, oxiranylmethyl ester","","C1C(O1)COC(=O)C2=CC=CS2","ZKZQFILNHCVSPG-UHFFFAOYSA-N","361498",NA,"PDBC51332","624535","Present"
-"Oxis","","","","","","","","","","","","","","","","","","","","Formoterol Fumarate","","CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(=CC(=O)O)C(=O)O","ZDUPYZMAPCZGJO-WLHGVMLRSA-N","9912089",NA,"PDBC51333","299587","Present"
-"Oxotremorine","","","","","","","","","","","","","","","","","","","","Oxotremorin","","C1CCN(C1)CC#CCN2CCCC2=O","RSDOPYMFZBJHRL-UHFFFAOYSA-N","4630",NA,"PDBC51334","330497","Present"
-"Oxycanthine","","","","","","","","","","","","","","","","","","","","Oxyacanthine///oxycanthine","","CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC","HGNHIFJNOKGSKI-UHFFFAOYSA-N","371257",NA,"PDBC51335","645315///93135","Present"
-"Oxyimperatorin","","","","","","","","","","","","","","","","","","","","Heraclenin","","CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C","CTJZWFCPUDPLME-UHFFFAOYSA-N","182251",NA,"PDBC51336","92228","Present"
-"Oxymorphol","","","","","","","","","","","","","","","","","","","","6-Hydroxyoxymorphone","","CN1CCC23C4C(CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)O","AABLHGPVOULICI-ZOFKVTQNSA-N","6712731",NA,"PDBC51337","707489","Present"
-"Oxymorphonazine","","","","","","","","","","","","","","","","","","","","Oxymorphonazine","","CN1CCC23C4C(=NN=C5CCC6(C7CC8=C9C6(C5OC9=C(C=C8)O)CCN7C)O)CCC2(C1CC1=C3C(=C(C=C1)O)O4)O","WKXKOQQVFYOJBC-UHFFFAOYSA-N","163346",NA,"PDBC51338","612111","Present"
-"Oxyphenisatine","","","","","","","","","","","","","","","","","","","","Critex","","C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","SJDACOMXKWHBOW-UHFFFAOYSA-N","31315",NA,"PDBC51339","59814","Present"
-"Oxypurinol","","","","","","","","","","","","","","","","","","","","dhpp","","C1=NNC2=C1C(=O)NC(=O)N2","HXNFUBHNUDHIGC-UHFFFAOYSA-N","135398752",NA,"PDBC51340","76239","Present"
-"Oxyridazine","","","","","","","","","","","","","","","","","","","","oxyridazine","","CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)OC","QOJDAWZHQLNKDR-UHFFFAOYSA-N","65612",NA,"PDBC51341","186057","Present"
-"Oxytakatonine Iodide","","","","","","","","","","","","","","","","","","","","Oxytakatonine Iodide","","C[N+]1=C(C2=CC(=C(C(=C2C=C1)OC)OC)OC)C(=O)C3=CC=C(C=C3)OC.[I-]","BGYSCPUACSICRD-UHFFFAOYSA-M","370338",NA,"PDBC51342","643238","Present"
-"P,P-Diphenyl-N-(1-phenylethyl)phosphinic amide","","","","","","","","","","","","","","","","","","","","WFZGOJVHXZLREL-UHFFFAOYSA-N","","CC(C1=CC=CC=C1)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","WFZGOJVHXZLREL-UHFFFAOYSA-N","376265",NA,"PDBC51343","656971","Present"
-"P-Ara-C","","","","","","","","","","","","","","","","","","","","p-ara-c","","CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O","SHBAKEKBTCPUFI-UHFFFAOYSA-N","282479",NA,"PDBC51344","135962","Present"
-"P-Cyanobenzylidene bis-barbiturate","","","","","","","","","","","","","","","","","","","","P-Cyanobenzylidene bis-barbiturate","","C1=CC(=CC=C1C#N)C(C2C(=O)NC(=O)NC2=O)C3C(=O)NC(=O)NC3=O","GJIPWMKMTGHELE-UHFFFAOYSA-N","370543",NA,"PDBC51345","643770","Present"
-"P-Dioxane,5-bis[(benzoyloxymercuri)methyl]-","","","","","","","","","","","","","","","","","","","","mp 317","","C1C(OCC(O1)C[Hg]OC(=O)C2=CC=CC=C2)C[Hg]OC(=O)C3=CC=CC=C3","WDBSOHIEPCJJME-UHFFFAOYSA-L","16683647",NA,"PDBC51346","30916","Present"
-"P-Hydroxy-A-10","","","","","","","","","","","","","","","","","","","","P-hydroxy-A-10","","C1CC(=O)NC(=O)C1NC(=O)CC2=CC=C(C=C2)O","FCRKQAZMQDVASM-UHFFFAOYSA-N","367298",NA,"PDBC51347","636857","Present"
-"P-Isopropylcalix[4]arene","","","","","","","","","","","","","","","","","","","","form IIIp","","CC(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)C)C2)O)C(C)C)C(C)C)O","UHLRPXXFPYMCAE-UHFFFAOYSA-N","366247",NA,"PDBC51348","634594","Present"
-"P-Toluenesulfonamide","","","","","","","","","","","","","","","","","","","","tosylamide","","CC1=CC=C(C=C1)S(=O)(=O)N","LMYRWZFENFIFIT-UHFFFAOYSA-N","6269",NA,"PDBC51349","9908","Present"
-"PAPA NONOate","","","","","","","","","","","","","","","","","","","","N-propylpropaneciamine Nitric Oxide Adduct","","CCCN(CCCN)[N+](=NO)[O-]","QODRTFHTYGHQMT-CSKARUKUSA-N","135465810",NA,"PDBC51350","634220","Present"
-"PARTHENOLIDE, 9B-ACETOXY-","","","","","","","","","","","","","","","","","","","","PARTHENOLIDE, 9B-ACETOXY-","","CC1=CCCC2(C(O2)C3C(CC1OC(=O)C)C(=C)C(=O)O3)C","QMKVWBGFFNUWNW-RMKNXTFCSA-N","5358978",NA,"PDBC51351","292657","Present"
-"PBAVRHZEIQSWLN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","PBAVRHZEIQSWLN-UHFFFAOYSA-N","","C1CCN(C1)C2(CCC3(CC2)OCCO3)C#N","PBAVRHZEIQSWLN-UHFFFAOYSA-N","360976",NA,"PDBC51352","623707","Present"
-"PBDNTIFKUNPLTI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","PBDNTIFKUNPLTI-UHFFFAOYSA-N","","C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)N)C=C(C5=CC=CC=C52)N)CCl","PBDNTIFKUNPLTI-UHFFFAOYSA-N","392736",NA,"PDBC51353","693542","Present"
-"PC 254","","","","","","","","","","","","","","","","","","","","PC 254","","CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-]","WJPLSTABBCGIQS-UHFFFAOYSA-N","237305",NA,"PDBC51354","40665","Present"
-"PC 287","","","","","","","","","","","","","","","","","","","","PC 287","","CCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3Cl)N","ZITJURWWDLKJNF-UHFFFAOYSA-N","239486",NA,"PDBC51355","44580","Present"
-"PC 298","","","","","","","","","","","","","","","","","","","","PC 298","","CC(C)CN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N","SEIMKLNUEAPZHV-UHFFFAOYSA-N","239491",NA,"PDBC51356","44585","Present"
-"PCNU","","","","","","","","","","","","","","","","","","","","PCNU","","C1CC(=O)NC(=O)C1NC(=O)N(CCCl)N=O","KHWIRCOLWPNBJP-UHFFFAOYSA-N","26328",NA,"PDBC51357","95466","Present"
-"PD-1-IN-1 free base","","","","","","","","","","","","","","","","","","","","Aurigene Cmp 4","","CC(C(C(=O)O)NC(=O)NC(CC(=O)N)C1=NC(=NO1)C(CO)N)O","HFOBENSCBRZVSP-LKXGYXEUSA-N","126843231",NA,"PDBC51358","799645","Present"
-"PD173955","","","","","","","","","","","","","","","","","PD173955","","","","","","","447077",NA,"PDBC51359","","Absent"
-"PDSP1_001142","","","","","","","","","","","","","","","","","","","","PDSP1_001142","","CN1CC(=O)N(C2=C(C1=O)N(C=N2)CC3=CC=CC=C3)C","STFRRLZKHLYUIY-UHFFFAOYSA-N","362128",NA,"PDBC51360","625661","Present"
-"PDSP1_001145","","","","","","","","","","","","","","","","","","","","PDSP1_001145","","CN1CC(=O)N(C2=C(C1=O)NC=N2)C","QXKVHCBHBWVMLE-UHFFFAOYSA-N","362127",NA,"PDBC51361","625660","Present"
-"PDSP1_001147","","","","","","","","","","","","","","","","","","","","PDSP1_001147","","CCCN1C(=O)CNC(=O)C2=C1N=CN2","DJDLYCZLNSHLER-UHFFFAOYSA-N","363269",NA,"PDBC51362","628051","Present"
-"PDSP1_001384","","","","","","","","","","","","","","","","","","","","PDSP1_001384","","CC(C)C(CC(=O)OCC(CO)OC(=O)CC(C(C)C)C(C)C)C(C)C","DUMNUFPVNODRSI-UHFFFAOYSA-N","6712639",NA,"PDBC51363","703752","Present"
-"PDSP1_001797","","","","","","","","","","","","","","","","","","","","PDSP1_001797","","CCC(=O)NCCC1=CNC2=C1C=C(C=C2)OC","VXGNHTKZJOTYNZ-UHFFFAOYSA-N","395810",NA,"PDBC51364","700698","Present"
-"PEG ETOPOSIDE","","","","","","","","","","","","","","","","","","","","PEG ETOPOSIDE","","","","",NA,"PDBC51365","745897","Present"
-"PF-06821497","","","","","","","","","","","","","","","","","","","","PF-06821497","","CC1=CC(=C(C(=O)N1)CN2CCC3=C(C=C(C(=C3C2=O)Cl)C(C4COC4)OC)Cl)OC","RXCVUHMIWHRLDF-HXUWFJFHSA-N","118572065",NA,"PDBC51366","800019","Present"
-"PF-06840003","","","","","","","","","","","","","","","","","","","","PF-06840003","","C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F","MXKLDYKORJEOPR-UHFFFAOYSA-N","23063810",NA,"PDBC51367","796100","Present"
-"PF-06952229","","","","","","","","","","","","","","","","","","","","PF-06952229","","CC(C)C1=CN=C(C=C1NC2=C(C=NC=C2)C(=O)NC(CO)CO)C3=C(C=CC(=C3)Cl)F","IPBLCOKXDQHSQW-UHFFFAOYSA-N","118211239",NA,"PDBC51368","826119","Present"
-"PF-2771","","","","","","","","","","","","","","","","","","","","PF-2771","","CC(C)OC1=C(C=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)C3=CN(C(=N3)C(=O)C)C)CNC(=O)CN(C)C)Cl","VHBJNUOZEQTSNN-QHCPKHFHSA-N","118704759",NA,"PDBC51369","791648","Present"
-"PF-4942847","","","","","","","","","","","","","","","","","","","","PF-4942847","","CC1=CC(=CC(=C1C2=NC(=NC3=C2CN(C3)C(=O)NCC(C)(F)F)N)OCCN4C=C(C=N4)F)Cl","IRGGXYIIIARJBD-UHFFFAOYSA-N","46174270",NA,"PDBC51370","772885","Present"
-"PF-4989216","","","","","","","","","","","","","","","","","","","","PF-4989216","","C1COCCN1C2=C(C(=C(S2)C3=NC=NN3)C4=C(C=C(C=C4)C#N)F)C#N","MUENOTXSRZEFJV-UHFFFAOYSA-N","51033720",NA,"PDBC51371","777877","Present"
-"PFLBXUFECVABME-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","PFLBXUFECVABME-UHFFFAOYSA-N","","CCCCN(CCCC)CCCN1C=NC2=C(C1=O)C=CC=N2","PFLBXUFECVABME-UHFFFAOYSA-N","360824",NA,"PDBC51372","623241","Present"
-"PG66.33","","","","","","","","","","","","","","","","","","","PG66.33","","","","","",NA,"PDBC51373","","Absent"
-"PHH6f","","","","","","","","","","","","","","","","","","","","PHH6f","","CCC=CC(CC)C=CCC1(CC(C(OO1)CC(=O)O)CC)CC","FMIORBKSNMSXGM-WRNZUPGYSA-N","5472497",NA,"PDBC51374","719626","Present"
-"PHT-427","","","","","","","","","","","","","","","","","PHT-427","","","","","","","44240850",NA,"PDBC51375","","Absent"
-"PICEATANNOL,3,3',5'-TRIMETHYL","","","","","","","","","","","","","","","","","","","","PICEATANNOL,3,3',5'-TRIMETHYL","","COC1=CC(=CC(=C1)C=CC2=CC(=C(C=C2)O)OC)OC","QEHTYBCDRGQJGN-SNAWJCMRSA-N","5809575",NA,"PDBC51376","381281","Present"
-"PK 110","","","","","","","","","","","","","","","","","","","","PK 110","","C1=CC(=CC=C1CNC(=O)CN2C=CN=C2[N+](=O)[O-])F","DABKTULDOCZOAO-UHFFFAOYSA-N","132292",NA,"PDBC51377","644215","Present"
-"PKM2 (9)","","","","","","","","","","","","","","","","","","","","PKM2 (9)","","COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5","OTIZXEVJWJRNLB-UHFFFAOYSA-N","49854703",NA,"PDBC51378","772991","Present"
-"PLX-51107","","","","","","","","","","","","","","","","","","","","PLX-51107","","CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3C(C)C4=CC=CC=N4)C5=CC=C(C=C5)C(=O)O)N=C2","AMSUHYUVOVCWTP-INIZCTEOSA-N","90448953",NA,"PDBC51379","806595","Present"
-"POE5E5Q5PZ","","","","","","","","","","","","","","","","","","","","POE5E5Q5PZ","","CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","XTNSBPFEFLVLBC-UHFFFAOYSA-N","334473",NA,"PDBC51380","339704","Present"
-"POMHEX","","","","","","","","","","","","","","","","","","","","POMHEX","","CC(C)(C)C(=O)OCOP(=O)(C1CCCN(C1=O)O)OCOC(=O)C(C)(C)C","TVFIFFUSHZDTKT-UHFFFAOYSA-N","122540908",NA,"PDBC51381","784584","Present"
-"PPHQWNUDYSYGAC-WJDWOHSUSA-N","","","","","","","","","","","","","","","","","","","","PPHQWNUDYSYGAC-WJDWOHSUSA-N","","CC1=NN(C(=O)C1=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3","PPHQWNUDYSYGAC-WJDWOHSUSA-N","5367136",NA,"PDBC51382","619163","Present"
-"PQR-530","","","","","","","","","","","","","","","","","","","","PQR-530","","CC1COCCN1C2=NC(=NC(=N2)N3CCOCC3)C4=CN=C(C=C4C(F)F)N","SYKBZXMKAPICSO-NSHDSACASA-N","121334433",NA,"PDBC51383","802821","Present"
-"PQR-620","","","","","","","","","","","","","","","","","","","","PQR-620","","C1CC2COCC1N2C3=NC(=NC(=N3)C4=CN=C(C=C4C(F)F)N)N5C6CCC5COC6","UGDKPWVVBKHRDK-KPWCQOOUSA-N","122412735",NA,"PDBC51384","794442","Present"
-"PQT-12","","","","","","","","","","","","","","","","","","","","PQT-12","","CCCCCCCCCCCCC1=C(SC=C1)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=CS4)CCCCCCCCCCCC","DZUNDTRLGXGTGU-UHFFFAOYSA-N","389751",NA,"PDBC51385","686347","Present"
-"PRECJJKQAFVGRJ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","PRECJJKQAFVGRJ-UHFFFAOYSA-N","","C1C(CO1)(CNC2=CC(=NC(=N2)N)Cl)CO","PRECJJKQAFVGRJ-UHFFFAOYSA-N","385214",NA,"PDBC51386","676327","Present"
-"PRM-123","","","","","","","","","","","","","","","","","","","PRM-123","","","","","",NA,"PDBC51387","","Absent"
-"PRN-1371","","","","","","","","","","","","","","","","","","","","PRN-1371","","CNC1=NC=C2C=C(C(=O)N(C2=N1)CCCN3CCN(CC3)C(=O)C=C)C4=C(C(=CC(=C4Cl)OC)OC)Cl","PUIXMSRTTHLNKI-UHFFFAOYSA-N","118295624",NA,"PDBC51388","801089","Present"
-"PS426XRG1Y","","","","","","","","","","","","","","","","","","","","PS426XRG1Y","","COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3OC)OC","SQXGVTMBPLETQL-UHFFFAOYSA-N","248773",NA,"PDBC51389","66222","Present"
-"PS74.26","","","","","","","","","","","","","","","","","","","PS74.26","","","","","",NA,"PDBC51390","","Absent"
-"PSI-6206","","","","","","","","","","","","","","","","","","","","PSI-6206","","CC1(C(C(OC1N2C=CC(=O)NC2=O)CO)O)F","ARKKGZQTGXJVKW-VPCXQMTMSA-N","11311503",NA,"PDBC51391","796320","Present"
-"PT-2385","","","","","","","","","","","","","","","","","","","","PT-2385","","CS(=O)(=O)C1=C2C(C(CC2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)(F)F)O","ONBSHRSJOPSEGS-INIZCTEOSA-N","91754484",NA,"PDBC51392","787312","Present"
-"PT-2399","","","","","","","","","","","","","","","","","","","","PT-2399","","C1C2=C(C=CC(=C2C(C1(F)F)O)S(=O)(=O)C(F)F)OC3=CC(=CC(=C3)C#N)F","MXUSGDMIHGLCNC-HNNXBMFYSA-N","91663289",NA,"PDBC51393","818435","Present"
-"PT-2a","","","","","","","","","","","","","","","","","","","","PT-2a","","","","",NA,"PDBC51394","628604","Present"
-"PT2977","","","","","","","","","","","","","","","","","","","","PT2977","","CS(=O)(=O)C1=C2C(C(C(C2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)F)O","LOMMPXLFBTZENJ-ZACQAIPSSA-N","117947097",NA,"PDBC51395","825217","Present"
-"PTQSOJSHLVMMJD-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","PTQSOJSHLVMMJD-UHFFFAOYSA-N","","COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)F","PTQSOJSHLVMMJD-UHFFFAOYSA-N","5470012",NA,"PDBC51396","696101","Present"
-"PWT-33597","","","","","","","","","","","","","","","","","","","","PWT-33597","","CN(C)CCS(=O)(=O)NC1=CC=C(C=C1)C2=NC(=NC(=N2)N3CCOCC3)N4C5=C(C(=CC=C5)OC)N=C4C(F)F","GDCJHDUWWAKBIW-UHFFFAOYSA-N","46917355",NA,"PDBC51397","782362","Present"
-"PX-866","","","","","","","","","","","","","","","","","","","","NSC722134","","CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C(=CN(CC=C)CC=C)C4=C(C3=O)O)COC)C)C","QIUASFSNWYMDFS-BMALJEQOSA-N","9914803",NA,"PDBC51398","722134","Present"
-"PXHNUIFNBQOCSX-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","PXHNUIFNBQOCSX-UHFFFAOYSA-N","","C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NCC3=CC=CC=C3","PXHNUIFNBQOCSX-UHFFFAOYSA-N","395952",NA,"PDBC51399","701076","Present"
-"PYRANOPYRIMIDINE DERIVATIVES","","","","","","","","","","","","","","","","","","","","PYRANOPYRIMIDINE DERIVATIVES","","COC1=CC=C(C=C1)C=C2C(=O)N3C(C4=C(C5=C(C=CC(=C5)F)OC4)N=C3S2)C6=CC(=C(C=C6)OC)OC","LTBLHEJYGPQJSB-BRJLIKDPSA-N","24204359",NA,"PDBC51400","731532","Present"
-"PYRIDOMYCIN","","","","","","","","","","","","","","","","","","","","PYRIDOMYCIN","","CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O)CC2=CN=CC=C2)NC(=O)C3=C(C=CC=N3)O)C)C","WHIKSLGSXKIHCA-UCQKPKSFSA-N","5458474",NA,"PDBC51401","246134","Present"
-"PYSKLHFSEYWNDZ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","PYSKLHFSEYWNDZ-UHFFFAOYSA-N","","CSC1=NC2=C(C=CN2)C(=N1)NC3CCCC3","PYSKLHFSEYWNDZ-UHFFFAOYSA-N","5466041",NA,"PDBC51402","673093","Present"
-"PYTUTXSHGZPKPG-DFCCZADTSA-N","","","","","","","","","","","","","","","","","","","","PYTUTXSHGZPKPG-DFCCZADTSA-N","","CCOC(=O)C1=CC(=CC=C1)N=NC2=NC=C(N2)C=CC(=O)OC","PYTUTXSHGZPKPG-CSLZILMTSA-N","135436269",NA,"PDBC51403","716677","Present"
-"Pacifenol","","","","","","","","","","","","","","","","","","","","Pacifenol","","CC1(C23CC(C(CC2OC1(C=CC3(C)O)Br)(C)Cl)Br)C","WNGMEQXERFPHIP-UHFFFAOYSA-N","122808",NA,"PDBC51404","287456","Present"
-"Pacifidiene","","","","","","","","","","","","","","","","","","","","Pacifidiene","","CC1(C23CC(C(CC2OC1(C=CC3=C)Br)(C)Cl)Br)C","SCVKJKKRVLDQHS-UHFFFAOYSA-N","182147",NA,"PDBC51405","629927","Present"
-"Paclitaxel Ceribate","","","","","","","","","","","","","","","","","","","","Paclitaxel Ceribate","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)OCC(CO)O)C)OC(=O)C","HSUDWURBWSUCOB-JPHWUADUSA-N","390521",NA,"PDBC51406","687962","Present"
-"Paclitaxel-Copper-Albumin (PCA)","","","","","","","","","","","","","","","","","","","","Paclitaxel-Copper-Albumin (PCA)","","","","",NA,"PDBC51407","800528","Present"
-"Paeonia moutan","","","","","","","","","","","","","","","","","","","","paeony root","","CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O","YKRGDOXKVOZESV-UHFFFAOYSA-N","425990",NA,"PDBC51408","178886","Present"
-"Pak4-IN-1","","","","","","","","","","","","","","","","","","","","KPT-9274","","C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C4C(=C3)C=C(O4)CNC(=O)C=CC5=CN=C(C=C5)N)C6=CC=C(C=C6)F","MRFOPLWJZULAQD-SWGQDTFXSA-N","117779453",NA,"PDBC51409","792970","Present"
-"Palifosfamide","","","","","","","","","","","","","","","","","","","","Isophosphoramide mustard","","C(CCl)NP(=O)(NCCCl)O","BKCJZNIZRWYHBN-UHFFFAOYSA-N","100427",NA,"PDBC51410","297900","Present"
-"Palisol","","","","","","","","","","","","","","","","","","","","Palisol","","CC(=CCC1C(=C)CC=CC1(C)C)C(CBr)O","PSLQVGUCVAPCDK-KPKJPENVSA-N","6393559",NA,"PDBC51411","699122","Present"
-"Palitantin","","","","","","","","","","","","","","","","","","","","Palitantin","","CCCC=CC=CC1CC(C(C(=O)C1CO)O)O","MPOXQBRZHHNMER-YTXTXJHMSA-N","5458472",NA,"PDBC51412","246119","Present"
-"Palladate(1-), .mu.-chlorodichloro[.mu.-[2,2'-(1-methyl-...","","","","","","","","","","","","","","","","","","","","Palladate(1-), .mu.-chlorodichloro[.mu.-[2,2'-(1-methyl-...","","","","",NA,"PDBC51413","228178","Present"
-"Palladate(2-), chlorobis(1,9-dihydro-6H-purine-6-thionat...","","","","","","","","","","","","","","","","","","","","Palladate(2-), chlorobis(1,9-dihydro-6H-purine-6-thionat...","","","","",NA,"PDBC51414","70092","Present"
-"Palladate(2-), dichlorobis(6H-purine-6-thionato-N(7),S(6...","","","","","","","","","","","","","","","","","","","","Palladate(2-), dichlorobis(6H-purine-6-thionato-N(7),S(6...","","","","",NA,"PDBC51415","51857","Present"
-"Pam 1392","","","","","","","","","","","","","","","","","","","","Pam 1392","","C1=CC(=C(C=C1CNC2=CC3=C(C=C2)N=C(N=C3N)N)Cl)Cl","LTSQDQVTNREIAO-UHFFFAOYSA-N","97523",NA,"PDBC51416","129789","Present"
-"Pamine","","","","","","","","","","","","","","","","","","","","pamine","","C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C","LZCOQTDXKCNBEE-UHFFFAOYSA-N","4120",NA,"PDBC51417","61809","Present"
-"Pamiparib","","","","","","","","","","","","","","","","","","","","Pamiparib","","CC12CCCN1CC3=NNC(=O)C4=C5C3=C2NC5=CC(=C4)F","DENYZIUJOTUUNY-MRXNPFEDSA-N","135565554",NA,"PDBC51418","804253","Present"
-"Pamoic acid","","","","","","","","","","","","","","","","","","","","pamoic acid","","C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O","WLJNZVDCPSBLRP-UHFFFAOYSA-N","8546",NA,"PDBC51419","30188","Present"
-"Panamine","","","","","","","","","","","","","","","","","","","","Panamine","","C1CCN2CC34CC(C2C1)CC5C3N(CCC5)C6CCCC4N6","MRLGBUWOAFGOBH-UHFFFAOYSA-N","281253",NA,"PDBC51420","133892","Present"
-"Panaxadiol","","","","","","","","","","","","","","","","","","","","Panaxadiol","","CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)C","PVLHOJXLNBFHDX-UHFFFAOYSA-N","328778",NA,"PDBC51421","308879","Present"
-"Panaxatriol","","","","","","","","","","","","","","","","","","","","Panaxatriol","","CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CC(C5C4(CCC(C5(C)C)O)C)O)C)O)C)C","QFJUYMMIBFBOJY-UHFFFAOYSA-N","328779",NA,"PDBC51422","308880","Present"
-"Pancratistatin","","","","","","","","","","","","","","","","","","","","PANCRATISTATIN","","C1OC2=C(O1)C(=C3C(=C2)C4C(C(C(C(C4O)O)O)O)NC3=O)O","VREZDOWOLGNDPW-ALTGWBOUSA-N","441597",NA,"PDBC51423","349156","Present"
-"Pancratistatin,1-O-(3-hydroxybutyryl)-","","","","","","","","","","","","","","","","","","","","pancratistatin,1-o-(3-hydroxybutyryl)-","","CC(CC(=O)COC1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)O","CPPFQIHMVZYHBP-LETCULCLSA-N","398555",NA,"PDBC51424","708495","Present"
-"Panicein A hydroquinone","","","","","","","","","","","","","","","","","","","","Panicein A hydroquinone","","CC1=CC(=C(C(=C1CCC(=CCC2=C(C=CC(=C2)O)O)C)C)C)OC","FFAKJAIQHPBXPV-MKMNVTDBSA-N","5467409",NA,"PDBC51425","652096","Present"
-"Panicein B3","","","","","","","","","","","","","","","","","","","","Panicein B3","","CC1=CC(=C(C(=C1CCC(=CCC2=C(C=CC(=C2)O)O)C)C)C=O)O","BCYBPYQVUROVFP-YIXHJXPBSA-N","5467407",NA,"PDBC51426","652094","Present"
-"Panicein C","","","","","","","","","","","","","","","","","","","","Panicein C","","CC1=C(C(=C(C(=C1C=O)O)O)C)CCC(=CCC2=C(C=CC(=C2)O)O)C","KTKUNEUPWDRROX-UUILKARUSA-N","5467408",NA,"PDBC51427","652095","Present"
-"Pannarin","","","","","","","","","","","","","","","","","","","","Pannarin","","CC1=CC(=C(C2=C1OC3=C(C(=C(C(=C3C(=O)O2)C)Cl)O)C=O)C)OC","LVGKNESDSKGROR-UHFFFAOYSA-N","162780",NA,"PDBC51428","646008","Present"
-"Panzem NCD","","","","","","","","","","","","","","","","","","","","NSC659853","","CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O","CQOQDQWUFQDJMK-NUFPHNDYSA-N","378119",NA,"PDBC51429","659853","Present"
-"Papaveroline hydrobromide","","","","","","","","","","","","","","","","","","","","Papaveroline, hydrobromide","","C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)O)O)O)O.Br","NIBMARWPMHTGQR-UHFFFAOYSA-N","135512985",NA,"PDBC51430","99799","Present"
-"Para Red","","","","","","","","","","","","","","","","","","","","NSC210792///NSC70812","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)[N+](=O)[O-])O","WOTPFVNWMLFMFW-UHFFFAOYSA-N","22917",NA,"PDBC51431","210792///70812","Present"
-"Paracymene-ruthenium(II)-1,3,5-triaza-7-phosphaadamantan...","","","","","","","","","","","","","","","","","","","","Paracymene-ruthenium(II)-1,3,5-triaza-7-phosphaadamantan...","","","","",NA,"PDBC51432","720690","Present"
-"Paracymene-ruthenium(II)-[N-(3-(1H-imidazol-1-yl)propyl)...","","","","","","","","","","","","","","","","","","","","Paracymene-ruthenium(II)-[N-(3-(1H-imidazol-1-yl)propyl)...","","","","",NA,"PDBC51433","763059","Present"
-"Paragracine dihydrochloride","","","","","","","","","","","","","","","","","","","","paragracine","","CC1=C2C(=NC(=N2)NC)C3=C(C=C1)NC(=N3)N(C)C.Cl","UTUHGOHOCIUBFM-UHFFFAOYSA-N","54600683",NA,"PDBC51434","357828","Present"
-"Pareitropone","","","","","","","","","","","","","","","","","","","","pareitropone","","COC1=C(C2=C3C(=C1)C=CN=C3C4=C2C=CC(=O)C=C4)OC","KWTAOJVETXMPDJ-UHFFFAOYSA-N","10469514",NA,"PDBC51435","725752","Present"
-"Parfumine","","","","","","","","","","","","","","","","","","","","Parfumine","","CN1CCC2=CC(=C(C=C2C13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC","AHNUBWYOIHCGFN-UHFFFAOYSA-N","376403",NA,"PDBC51436","657309","Present"
-"Paroxetine hydrochloride","","","","","","","","","","","","","","","","","","","","paroxetine hydrochloride (usan)","","C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl","GELRVIPPMNMYGS-RVXRQPKJSA-N","62878",NA,"PDBC51437","758654","Present"
-"Parthenicin","","","","","","","","","","","","","","","","","","","","parthenin","","CC1CCC2C(C3(C1(C=CC3=O)O)C)OC(=O)C2=C","LLQCRTZROWMVOL-UHFFFAOYSA-N","257275",NA,"PDBC51438","85239","Present"
-"Parthenolid-8-one","","","","","","","","","","","","","","","","","","","","Parthenolid-8-one","","CC1=CCCC2(C(O2)C3C(C(=C)C(=O)O3)C(=O)C1)C","IGDZAGDUPNOYHK-VMPITWQZSA-N","5469359",NA,"PDBC51439","687012","Present"
-"Parthenolid-9-one","","","","","","","","","","","","","","","","","","","","Oxireno[9,10]cyclodeca[1,2-b]furan-6,9(7H,10aH)-dione, 1...","","CC1=CCCC2(C(O2)C3C(CC1=O)C(=C)C(=O)O3)C","MZDVWXBIIWIBTB-BPWSPTIZSA-N","10445414",NA,"PDBC51440","672120","Present"
-"Partricin A 2-pyridinylethylamide","","","","","","","","","","","","","","","","","","","","Partricin A  2-pyridinylethylamide","","CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCC4=CC=CC=N4)OC5C(C(C(C(O5)C)O)N)O","XLBKUGPZIGESSH-HPKJJUTRSA-N","5472914",NA,"PDBC51441","722657","Present"
-"Partricin A morpholide","","","","","","","","","","","","","","","","","","","","Partricin A morpholide","","CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)N4CCOCC4)OC5C(C(C(C(O5)C)O)N)O","SDNDVBSRAGCLDY-SIBWUZLPSA-N","5472913",NA,"PDBC51442","722656","Present"
-"Partricin A morpholinoethylamide","","","","","","","","","","","","","","","","","","","","Partricin A morpholinoethylamide","","CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN4CCOCC4)OC5C(C(C(C(O5)C)O)N)O","WWXGACATRGYDFZ-SIBWUZLPSA-N","5472911",NA,"PDBC51443","722654","Present"
-"Partricin A piperidinoethylamide","","","","","","","","","","","","","","","","","","","","Partricin A piperidinoethylamide","","CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN4CCCCC4)OC5C(C(C(C(O5)C)O)N)O","JSOUDLFUGAZMEC-DWWUDAOYSA-N","5472912",NA,"PDBC51444","722655","Present"
-"Patulin","","","","","","","","","","","","","","","","","","","","NSC32951///NSC8120","","C1C=C2C(=CC(=O)O2)C(O1)O","ZRWPUFFVAOMMNM-UHFFFAOYSA-N","4696",NA,"PDBC51445","32951///8120","Present"
-"Paucin 3","","","","","","","","","","","","","","","","","","","","paucin","","CC1CC2C(CC3(C1C(CC3=O)OC4C(C(C(C(O4)COC(=O)C)O)O)O)C)C(=C)C(=O)O2","GUDGKGBWXIZDPA-SRSBAEBFSA-N","282787",NA,"PDBC51446","136722","Present"
-"Paullone","","","","","","","","","","","","","","","","","","","","Paullone","","C1C2=C(C3=CC=CC=C3NC1=O)NC4=CC=CC=C24","VGMDAWVZNAXVDG-UHFFFAOYSA-N","369401",NA,"PDBC51447","641166","Present"
-"Paullone Analog 13","","","","","","","","","","","","","","","","","","","","Paullone Analog 13","","C1C2=C(C3=CC(=C(C=C3NC1=O)O)O)NC4=C2C=C(C=C4)Br","CSJPCQXZZVBCHG-UHFFFAOYSA-N","395170",NA,"PDBC51448","699472","Present"
-"Paullone Analog 31","","","","","","","","","","","","","","","","","","","","Paullone Analog 31","","COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=CC=CC=C4N3)OC","YAKJZHVHEIOVIR-UHFFFAOYSA-N","396081",NA,"PDBC51449","701592","Present"
-"Paullone Analog 37","","","","","","","","","","","","","","","","","","","","Paullone Analog 37","","C1C2=C(C3=C(C=CC(=C3)Br)NC1=O)NC4=C2C=C(C=C4)C(F)(F)F","CZOVMHCLKVCOEM-UHFFFAOYSA-N","396571",NA,"PDBC51450","703054","Present"
-"Paullone Analog 44","","","","","","","","","","","","","","","","","","","","Paullone Analog 44","","C1C2=C(C3=C(C(=CC=C3)O)NC1=O)NC4=C2C=C(C=C4)Br","VPNVMVMFLHEGBV-UHFFFAOYSA-N","395169",NA,"PDBC51451","699471","Present"
-"Paullone Analog 45","","","","","","","","","","","","","","","","","","","","Paullone Analog 45","","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C(=CC(=C4)Cl)Cl","SYGNSFGBDJEBOK-UHFFFAOYSA-N","396572",NA,"PDBC51452","703056","Present"
-"Paullone Analog 47","","","","","","","","","","","","","","","","","","","","Paullone Analog 47","","COC1=CC=CC2=C1NC(=O)CC3=C2NC4=C3C=C(C=C4)Br","IZRNPQQLTKFPRZ-UHFFFAOYSA-N","396411",NA,"PDBC51453","702373","Present"
-"Paullone Analog 7","","","","","","","","","","","","","","","","","","","","Paullone Analog 7","","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)C(F)(F)F","MILILGJHFMDHIJ-UHFFFAOYSA-N","396079",NA,"PDBC51454","701590","Present"
-"Paullone Analog 9","","","","","","","","","","","","","","","","","","","","Paullone Analog 9","","COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)C(F)(F)F)OC","RVTOIQOTZUKDTE-UHFFFAOYSA-N","396412",NA,"PDBC51455","702378","Present"
-"Paulomycin A","","","","","","","","","","","","","","","","","","","","Paulomycin A","","CCC(C)C(=O)OC(C)C1(C(OC(CC1OC)OC2C(C(OC(C2OC(=O)C(=CC)N=C=S)COC(=O)C)C3(CC(=O)C(=N)C(=C3O)C(=O)O)O)O)C)O","VVGJRYRHYMYFCV-XHKDYZAQSA-N","135488940",NA,"PDBC51456","356207","Present"
-"Paxillarine A","","","","","","","","","","","","","","","","","","","","Paxillarine A","","CC(C1C(CC2C1(CCC3C2CCC4C3(CCC(C4OC(=O)C)N(C)C(=O)C5=CC=CC=C5)C)C)O)N(C)C","CEFWIVSCALJZMU-WMBLJULDSA-N","374411",NA,"PDBC51457","652121","Present"
-"Pci-27483","","","","","","","","","","","","","","","","","","","","PCI-27483","","C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=CC(=CC(=C3O)C4=C(C=CC(=C4)S(=O)(=O)N)O)CC(=O)NC(CC(=O)O)C(=O)O","WDJHHCAKBRKCLW-IBGZPJMESA-N","135425273",NA,"PDBC51458","782579","Present"
-"Pdtpt","","","","","","","","","","","","","","","","","","","","pdtpt","","CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=NC=C4)C.[Br-]","MWQYGERRFZWKHL-UHFFFAOYSA-M","357140",NA,"PDBC51459","615035","Present"
-"Peakdale1_000030","","","","","","","","","","","","","","","","","","","","Peakdale1_000030","","C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=CS3)N=C2C(F)(F)F)Cl","DPDRPUUNNNYOPH-UHFFFAOYSA-N","387143",NA,"PDBC51460","680625","Present"
-"Peakdale1_000034","","","","","","","","","","","","","","","","","","","","Peakdale1_000034","","C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CC3=C(C=CS3)N=C2C(F)(F)F","PTLLMMYRTMAZCX-UHFFFAOYSA-N","387144",NA,"PDBC51461","680627","Present"
-"Pectenotoxin 1","","","","","","","","","","","","","","","","","","","","Pectenotoxin 1","","CC1CCOC(C1O)(C2CC3C(O2)C=CC(=CC(CC4(CCC(O4)C56CCC(O5)(CC(O6)C7C(=O)CC(O7)(C(C8CCC9(O8)CCCC(O9)C(C(=O)O3)C)O)C)CO)C)C)C)O","KJWMGLBVDNMNQW-KJEHWLPMSA-N","5468696",NA,"PDBC51462","674674","Present"
-"Pectenotoxin 6","","","","","","","","","","","","","","","","","","","","Pectenotoxin 6","","CC1CCOC(C1O)(C2CC3C(O2)C=CC(=CC(CC4(CCC(O4)C56CCC(O5)(CC(O6)C7C(=O)CC(O7)(C(C8CCC9(O8)CCCC(O9)C(C(=O)O3)C)O)C)C(=O)O)C)C)C)O","IJSPTHZVVHPQQN-DPCJHPGCSA-N","5468697",NA,"PDBC51463","674675","Present"
-"Pectenotoxin II","","","","","","","","","","","","","","","","","","","","Pectenotoxin II","","CC1CCOC(C1O)(C2CC3C(O2)C=CC(=CC(CC4(CCC(O4)C56CCC(O5)(CC(O6)C7C(=O)CC(O7)(C(C8CCC9(O8)CCCC(O9)C(C(=O)O3)C)O)C)C)C)C)C)O","PTKFEDGHUVZLPL-XAHUWGBLSA-N","5468320",NA,"PDBC51464","668555","Present"
-"Pectinatone/Norpectinatone","","","","","","","","","","","","","","","","","","","","Pectinatone/Norpectinatone","","CCCC(C)CC(C)CC(C)C=C(C)C1=C(C(=C(C(=O)O1)C)O)C.CCC(C)CC(C)CC(C)C=C(C)C1=C(C(=C(C(=O)O1)C)O)C","MBSXXSVLIIXPDX-BEZXXRTDSA-N","54679366",NA,"PDBC51465","625527","Present"
-"Pederin","","","","","","","","","","","","","","","","","","","","Pederin","","CC1C(OC(CC1=C)(C(C(=O)NC(C2CC(C(C(O2)CC(COC)OC)(C)C)O)OC)O)OC)C","ZNEZZONMADKYTB-VRCUBXEUSA-N","5381287",NA,"PDBC51466","114781","Present"
-"Pedicellin","","","","","","","","","","","","","","","","","","","","PEDICELLIN","","COC1=C(C(=C(C(=C1OC)OC)OC)OC)C(=O)C=CC2=CC=CC=C2","BHTMJPHRPUKDBL-VAWYXSNFSA-N","5925916",NA,"PDBC51467","255994","Present"
-"Pedicin","","","","","","","","","","","","","","","","","","","","PEDICIN","","COC1=C(C(=C(C(=C1C(=O)C=CC2=CC=CC=C2)O)OC)OC)O","PPRMAMORBLMPSR-MDZDMXLPSA-N","5901370",NA,"PDBC51468","255993","Present"
-"Pelitrexol","","","","","","","","","","","","","","","","","","","","Pelitrexol","","CC1=C(SC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)CCC2CC3=C(NC2)N=C(NC3=O)N","QXOPTIPQEVJERB-JQWIXIFHSA-N","135431074",NA,"PDBC51469","767745","Present"
-"Pemigatinib","","","","","","","","","","","","","","","","","","","","INCB-54828","","CCN1C2=C3C=C(NC3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)CN5CCOCC5","HCDMJFOHIXMBOV-UHFFFAOYSA-N","86705695",NA,"PDBC51470","816556","Present"
-"Penclomedine","","","","","","","","","","","","","","","","","","","","PENCLOMEDINE","","COC1=C(C(=NC(=C1Cl)OC)C(Cl)(Cl)Cl)Cl","DZVPGIORVGSQMC-UHFFFAOYSA-N","60203",NA,"PDBC51471","338720","Present"
-"Penduletin","","","","","","","","","","","","","","","","","","","","Calycopterin","","COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC","YSXFFLGRZJWNFM-UHFFFAOYSA-N","5320462",NA,"PDBC51472","659549","Present"
-"Penetratin 16mer","","","","","","","","","","","","","","","","","","","","Penetratin 16mer","","CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCNC(=N)N)N","BHONFOAYRQZPKZ-UHFFFAOYSA-N","16134279",NA,"PDBC51473","714897","Present"
-"Penetratin LFG 24mer","","","","","","","","","","","","","","","","","","","","Penetratin LFG 24mer","","CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N6CCCC6C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC7=CC=CC=C7)C(=O)NCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCNC(=N)N)N","FEGITFIQOXIBEC-UHFFFAOYSA-N","16134280",NA,"PDBC51474","714898","Present"
-"Peninsularinone","","","","","","","","","","","","","","","","","","","","Peninsularinone","","CCC(CC(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C)(C(C)C)O","YYFUPACSPMCQHM-IAXDHZOFSA-N","385564",NA,"PDBC51475","676836","Present"
-"Penitrem A","","","","","","","","","","","","","","","","","","","Penitrem A","","","CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C7C5OC(C8CC9C8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O","JDUWHZOLEDOQSR-JKPSMKLGSA-N","6610243",NA,"PDBC51476","","Absent"
-"Pentaamminenitrogenosmium(II)chloride","","","","","","","","","","","","","","","","","","","","Pentaamminenitrogenosmium(II)chloride","","N.N.N.N.N.N#N.[Cl-].[Os+7]","ALKKJJZVIPBWJX-UHFFFAOYSA-M","24202194",NA,"PDBC51477","632566","Present"
-"Pentabenzyl 1,4,7,10,13-pentaazacyclopentadecane-1,4,7,10,13-pentacarboxylate","","","","","","","","","","","","","","","","","","","","Pentabenzyl 1,4,7,10,13-pentaazacyclopentadecane-1,4,7,10,13-pentacarboxylate","","C1CN(CCN(CCN(CCN(CCN1C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6","DGWMPRZDZRYBQZ-UHFFFAOYSA-N","393896",NA,"PDBC51478","696856","Present"
-"Pentachlorophenol","","","","","","","","","","","","","","","","","","","","NSC40792","","C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O","IZUPBVBPLAPZRR-UHFFFAOYSA-N","992",NA,"PDBC51479","40792","Present"
-"Pentacyclo[7.5.0.01,13.04,8.04,12]tetradec-8-ene-2,3,12,13-tetracarboxylic acid","","","","","","","","","","","","","","","","","","","","Pentacyclo[7.5.0.01,13.04,8.04,12]tetradec-8-ene-2,3,12,13-tetracarboxylic acid","","C1CC2=C3CCC4(C2(C1)C(C(C35C4(C5)C(=O)O)C(=O)O)C(=O)O)C(=O)O","WDFFTASVTGENSX-UHFFFAOYSA-N","284751",NA,"PDBC51480","140936","Present"
-"Pentacyclo[8.6.6.03,8.011,16.017,22]docosa-3(8),4,6,11,13,15,17,19,21-nonaen-5-amine","","","","","","","","","","","","","","","","","","","","Pentacyclo[8.6.6.03,8.011,16.017,22]docosa-3(8),4,6,11,13,15,17,19,21-nonaen-5-amine","","C1C2C3=CC=CC=C3C(CC4=C1C=CC(=C4)N)C5=CC=CC=C25","TZSMDIXYEXNDEE-UHFFFAOYSA-N","363813",NA,"PDBC51481","629027","Present"
-"Pentagastrin, >=95% (HPLC), powder","","","","","","","","","","","","","","","","","","","","Pentagastrin","","CC(C)(C)OC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N","NEYNJQRKHLUJRU-UHFFFAOYSA-N","4734",NA,"PDBC51482","367746","Present"
-"Pentalenopyran-5-carboxylic acid deriv","","","","","","","","","","","","","","","","","","","","u 36699","","CC1C2C=C(C3C2(C=C1C)C(=C)C(=O)OC3)C(=O)O","CRWVSJINJPKGIZ-UHFFFAOYSA-N","286636",NA,"PDBC51483","145150","Present"
-"Pentamethylmelamine","","","","","","","","","","","","","","","","","","","","Pentamethylmelamine///PMM HCl","","CNC1=NC(=NC(=N1)N(C)C)N(C)C","XIFVTSIIYVGRHJ-UHFFFAOYSA-N","27775",NA,"PDBC51484","118742///654383","Present"
-"Pentamine-osmium(III)trifluoromethane sulfonate","","","","","","","","","","","","","","","","","","","","Pentamine-osmium(III)trifluoromethane sulfonate","","C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].N.N.N.N.N.[Os+8]","ATNOOPWDLXFPSQ-UHFFFAOYSA-L","24202392",NA,"PDBC51485","646863","Present"
-"Pentamminethiocyanatocobalt(III)sulfate","","","","","","","","","","","","","","","","","","","","Pentamminethiocyanatocobalt(III)sulfate","","","","",NA,"PDBC51486","630616","Present"
-"Pentanamide, 2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-","","","","","","","","","","","","","","","","","","","","Pentanamide, 2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenyl...","","CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CCl)NC(=O)C","BDCWQOMLWHXEAK-UHFFFAOYSA-N","299926",NA,"PDBC51487","173905","Present"
-"Pentanamide, monohydrochloride","","","","","","","","","","","","","","","","","","","","Pentanamide, N-(methylsulfonyl)-N-[4-[(3-nitro-9-acridin...","","CCCCC(=O)N(C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])S(=O)(=O)C.Cl","QNMSACFQAONRRH-UHFFFAOYSA-N","21144481",NA,"PDBC51488","143106","Present"
-"Pentane 1,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl}oxy]-","","","","","","","","","","","","","","","","","","","","Pentane 1,5-Bis[{6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3...","","CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCCCCOC4=CC5=C(C=C4C(C)C6=CC(=C(C(=C6)OC)OC)OC)OCO5)OCO3","JRLFAVOMIRLXFC-UHFFFAOYSA-N","372081",NA,"PDBC51489","646945","Present"
-"Pentanedioic acid, 2-acetyl-3-(2-oxo-4,5-diphenyl-3-oxazolidinyl)-, 5-methyl 1-(phenylmethyl) ester","","","","","","","","","","","","","","","","","","","","NSC648855///NSC648856","","CC(=O)C(C(CC(=O)OC)N1C(C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","LNVMNDUKVCWNOC-UHFFFAOYSA-N","373027",NA,"PDBC51490","648855///648856","Present"
-"Pentitol, 1-C-[4-(aminocarbonyl)-2-oxazolyl]-1,4-anhydro-","","","","","","","","","","","","","","","","","","","","2-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxazole-4-carboxamide","","C1=C(N=C(O1)C2C(C(C(O2)CO)O)O)C(=O)N","YSRISZVOJDAOFB-UHFFFAOYSA-N","369086",NA,"PDBC51491","640643","Present"
-"Pentosan sulfate","","","","","","","","","","","","","","","","","","","","Pentosan sulfate","","","","",NA,"PDBC51492","626201","Present"
-"Pentoxyl","","","","","","","","","","","","","","","","","","","","pentoxyl","","CC1=C(C(=O)NC(=O)N1)CO","XBAVGYMDOXCWQU-UHFFFAOYSA-N","8983",NA,"PDBC51493","13202","Present"
-"Pentyl 2-[(5-carbamoyl-1H-triazol-4-yl)amino]-2-oxo-acetate","","","","","","","","","","","","","","","","","","","","Pentyl 2-[(5-carbamoyl-1H-triazol-4-yl)amino]-2-oxo-acetate","","CCCCCOC(=O)C(=O)NC1=NNN=C1C(=O)N","SILDNRWDHJVPQH-UHFFFAOYSA-N","385091",NA,"PDBC51494","676018","Present"
-"Pentyl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Pentyl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate","","CCCCCOC(=O)C1=CC2=C(C=CC(=C2)CCl)OC1=O","LGUUTJBOXSFZSC-UHFFFAOYSA-N","402498",NA,"PDBC51495","716524","Present"
-"Pepleo","","","","","","","","","","","","","","","","","","","","pepleo","","CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNC(C)C7=CC=CC=C7)O.OS(=O)(=O)O","ZHHIHQFAUZZMTG-UHFFFAOYSA-N","122804",NA,"PDBC51496","276382","Present"
-"Peptide PTD","","","","","","","","","","","","","","","","","","","","peptide ptd","","C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N)N","IVYQODXBAVAAMS-UHFFFAOYSA-N","45028373",NA,"PDBC51497","742350","Present"
-"Peptide isolated from Viscum alblum extract (Iscador)","","","","","","","","","","","","","","","","","","","","Peptide isolated from Viscum alblum extract (Iscador)","","","","",NA,"PDBC51498","635089","Present"
-"Peregrine","","","","","","","","","","","","","","","","","","","","Peregrine","","CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)OC)OC(=O)C)OC)C","FWZLYKYJQSQEPN-SKLAJPBESA-N","6852266",NA,"PDBC51499","650723","Present"
-"Perezone","","","","","","","","","","","","","","","","","","","","Perezone","","CC1=CC(=O)C(=C(C1=O)O)C(C)CCC=C(C)C","JZXORCGMYQZBBQ-UHFFFAOYSA-N","339385",NA,"PDBC51500","365793","Present"
-"Perfragilin B","","","","","","","","","","","","","","","","","","","","Perfragilin B","","CN1C=C2C(=CC1=O)C(=O)C(=C(C2=O)SC)SC","YCRBNFTXGDZHPI-UHFFFAOYSA-N","381111",NA,"PDBC51501","667275","Present"
-"Pergularinine","","","","","","","","","","","","","","","","","","","","Tylophorinine","","COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)OC)OC","LAWAARLALKUFQQ-CVDCTZTESA-N","264751",NA,"PDBC51502","100055","Present"
-"Perhexiline maleate","","","","","","","","","","","","","","","","","","","","perhexiline maleate (usan)","","C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O","JDZOTSLZMQDFLG-BTJKTKAUSA-N","5284439",NA,"PDBC51503","758409","Present"
-"Peridinin","","","","","","","","","","","","","","","","","","","","Peridinin","","CC(=CC=CC=CC=C(C)C=C1C=C(C(=O)O1)C=CC23C(CC(CC2(O3)C)O)(C)C)C=C=C4C(CC(CC4(C)O)OC(=O)C)(C)C","UYRDHEJRPVSJFM-VSWVFQEASA-N","5289155",NA,"PDBC51504","679586","Present"
-"Perilla ketone","","","","","","","","","","","","","","","","","","","","Perilla ketone","","CC(C)CCC(=O)C1=COC=C1","LVHLZMUFIYAEQB-UHFFFAOYSA-N","68381",NA,"PDBC51505","348407","Present"
-"Perillic acid","","","","","","","","","","","","","","","","","","","","Perillic acid","","CC(=C)C1CCC(=CC1)C(=O)O","CDSMSBUVCWHORP-UHFFFAOYSA-N","1256",NA,"PDBC51506","641067","Present"
-"Perlatolinic acid","","","","","","","","","","","","","","","","","","","","Perlatolinic acid","","CCCCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCCCC","UTAQXQVSEKIWBB-UHFFFAOYSA-N","174857",NA,"PDBC51507","646002","Present"
-"Permethyl deriv. of cristatic acid","","","","","","","","","","","","","","","","","","","","permethyl deriv. of cristatic acid","","CC1=CC(=C(C(=C1C(=O)OC)OC)CC=C(C)CCCC2=COC(=C2)C=C(C)C)OC","JFBRWQVSNGZWSC-WOJGMQOQSA-N","5458762",NA,"PDBC51508","338269","Present"
-"Peronatin A","","","","","","","","","","","","","","","","","","","","NSC692339","","CC1=C2C(=CC=C1)NC(C2=O)(C)C3(C(=O)C4=C(C=CC=C4N3)C)C","ATIDZGUTRAUUEB-WOJBJXKFSA-N","392206",NA,"PDBC51509","692339","Present"
-"Peronatin B","","","","","","","","","","","","","","","","","","","","NSC692340","","CC1=C2C(=CC=C1)NC(C2=O)(C)C3(C(=O)C4=C(C=CC=C4N3)C)C","ATIDZGUTRAUUEB-BGYRXZFFSA-N","392207",NA,"PDBC51510","692340","Present"
-"Peroxide mixture","","","","","","","","","","","","","","","","","","","","Peroxide mixture","","CC1=C(C(CCC1)(C)C)CCC(=CCCC2(CCC(OO2)C(C)C(=O)O)C)C.CC(C1CCC(OO1)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O","MHCYNZXIHNGVIA-XPSGGQBMSA-N","5387636",NA,"PDBC51511","625518","Present"
-"Peroxisomicine A2","","","","","","","","","","","","","","","","","","","","NSC667839","","CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=CC(=C3O)C4=C5CC(CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)O)O","FBPZAGOTWAVQJH-XZWHSSHBSA-N","381319",NA,"PDBC51512","667839","Present"
-"Peroxydicarbonic acid, bis(phenylmethyl) ester","","","","","","","","","","","","","","","","","","","","Peroxydicarbonic acid, bis(phenylmethyl) ester","","C1=CC=C(C=C1)COC(=O)OOC(=O)OCC2=CC=CC=C2","IAWYWVVBKGWUEP-UHFFFAOYSA-N","357763",NA,"PDBC51513","617286","Present"
-"Perulactone","","","","","","","","","","","","","","","","","","","","Perulactone","","CC1C(COC1=O)CC(C(C)(C2CCC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC(=O)C)C)C)O)O","ODRFODNLKCBNIK-UHFFFAOYSA-N","433638",NA,"PDBC51514","334388","Present"
-"Pervilleanone","","","","","","","","","","","","","","","","","","","","pervilleanone","","CC(C)(C=C)C1=C(C(=C(C(=C1)C2COC3=C(C2=O)C=CC(=C3)O)O)OC)OC","VEUAGCPRQFCWJN-HNNXBMFYSA-N","401429",NA,"PDBC51515","715084","Present"
-"Pervilleine A","","","","","","","","","","","","","","","","","","","","Pervilleine A","","CN1C2CC(CC1C(C2O)OC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC","OWTUMFZGWWGYGZ-CMDGGOBGSA-N","5459292",NA,"PDBC51516","687938","Present"
-"Perylene-4, 5,8-dihydroxy-1,3,10,12-tetramethoxy-6,7-dipropyl-","","","","","","","","","","","","","","","","","","","","Perylene-4,9-dione, 5,8-dihydroxy-1,3,10,12-tetramethoxy...","","CCCC1=C(C(=O)C2=C(C=C(C3=C4C(=CC(=C5C4=C(C1=C32)C(=C(C5=O)O)CCC)OC)OC)OC)OC)O","XZJHHJVRLNPXAU-UHFFFAOYSA-N","390875",NA,"PDBC51517","688978","Present"
-"Petriosamine A","","","","","","","","","","","","","","","","","","","","Petriosamine A","","C1CCC=CCCCCN2CCC3C(C2)CCCCC=CCCCN4CC(CC1)CC3C4","AMFQWROOQAKDDB-UHOORYNDSA-N","54612745",NA,"PDBC51518","747595","Present"
-"Petunianine B","","","","","","","","","","","","","","","","","","","","Petunianine B","","CC1C2=CCC3(C(C2C4C(C15CCC(=O)O5)O4)CCC3C(C)C6CC7(C(OC(O6)(O7)C8=CN=CC=C8)(C)C)C)C","BJKGLGPBYJCOBX-PHHQMGFKSA-N","6712038",NA,"PDBC51519","653514","Present"
-"Petuniasterone A","","","","","","","","","","","","","","","","","","","","petuniasterone A","","CC(C1CCC2C1(CCC3C2C(CC4=CC(=O)C=CC34C)O)C)C5CC6(C(OC(O5)(O6)CC(=O)SC)(C)C)C","GOWJWMZOBOZFNW-VZTRAHGGSA-N","6711641",NA,"PDBC51520","633664","Present"
-"Petuniolide A 12-ketone","","","","","","","","","","","","","","","","","","","","Petuniolide A 12-ketone","","CC1C2=CC(=O)C3(C(C2C4C(C15CCC(=O)O5)O4)CCC3C(C)C6CC7(C(OC(O6)(O7)C)(C)C)C)C","COCPASNZXWPLFW-VIUOZNQPSA-N","5459158",NA,"PDBC51521","633665","Present"
-"Pexidartinib","","","","","","","","","","","","","","","","","","Pexidartinib (PLX3397)","","Pexidartinib///PLX-3397","","","","",NA,"PDBC51522","800843///789300","Present"
-"Pexmetinib","","","","","","","","","","","","","","","","","","","","ARRY-614///Pexmetinib","","CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NCC3=C(C=CC(=C3)F)OC4=CC5=C(C=C4)N(N=C5)CCO","LNMRSSIMGCDUTP-UHFFFAOYSA-N","24765037",NA,"PDBC51523","778367///800844","Present"
-"Phaentharine chloride","","","","","","","","","","","","","","","","","","","","Phaentharine chloride","","C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC.[Cl-]","NUDZNDXPDMTYCV-UHFFFAOYSA-M","54604578",NA,"PDBC51524","324042","Present"
-"Phaeophorbid B, methyl ester","","","","","","","","","","","","","","","","","","","","Phaeophorbid B, methyl ester","","CCC1=C(C2=NC1=CC3=NC(=C(C3=CO)CC)C=C4C(=C5C(=O)C(C(=C6C(C(C(=C2)N6)C)CCC(=O)OC)C5=N4)C(=O)OC)C)C","ZGSSUGQTOLLUCE-PURWOSKBSA-N","135502445",NA,"PDBC51525","407321","Present"
-"Phaeophytin A, mixture with phaeophytin B","","","","","","","","","","","","","","","","","","","","PHAEOPHYTIN A, MIXTURE WITH PHAEOPHYTIN B","","CCC1=C(C2=NC1=CC3=CC4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)O)C.CCC1=C2C=C3C=C4C(=O)C(C(=C5C(C(C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC","YTNQVMRIDAJLBH-MZMUEXOASA-N","135441774",NA,"PDBC51526","407811","Present"
-"PharmaGSID_48505","","","","","","","","","","","","","","","","","","","","NSC767254","","CC1=C2C(=NN1)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4Cl","UVLBAPBHAHFJSY-UHFFFAOYSA-N","86287525",NA,"PDBC51527","767254","Present"
-"Pharmakon1600-01300027","","","","","","","","","","","","","","","","","","","","ivermectin (usan)","","CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C","AZSNMRSAGSSBNP-ONDMGMIHSA-N","45114068",NA,"PDBC51528","755843","Present"
-"Pharmakon1600-01300040","","","","","","","","","","","","","","","","","","","","SODIUM 4-PHENYLBUTYRATE","","C1=CC=C(C=C1)CCCC(=O)O.[Na+]","VPZRWNZGLKXFOE-UHFFFAOYSA-N","54604810",NA,"PDBC51529","657802","Present"
-"Pharmakon1600-01500148","","","","","","","","","","","","","","","","","","","","Bithionate sodium","","C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl.[Na+]","GBQJZSAUYCFSGW-UHFFFAOYSA-N","60148380",NA,"PDBC51530","755903","Present"
-"Pharmakon1600-01500151","","","","","","","","","","","","","","","","","","","","bromocriptine mesylate (usan)","","CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O","NOJMTMIRQRDZMT-NBKIJBDLSA-N","5702014",NA,"PDBC51531","755915","Present"
-"Pharmakon1600-01500206","","","","","","","","","","","","","","","","","","","","colistimethate sodium (usan)","","CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N1)CCNCS(=O)(=O)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)CCCCC(C)C)C(C)O)CCNCS(=O)(=O)O)CCNCS(=O)(=O)O)C(C)CC.[Na+]","MUDJBFFXEJLFAX-UHFFFAOYSA-N","60148381",NA,"PDBC51532","756688","Present"
-"Pharmakon1600-01500260","","","","","","","","","","","","","","","","","","","","NSC756731","","C1C=CC=[N+](C1=S)O.C1=CC(=S)N(C=C1)O.[Zn]","BSRFMRZGMWYJEK-UHFFFAOYSA-N","6327770",NA,"PDBC51533","756731","Present"
-"Pharmakon1600-01500603","","","","","","","","","","","","","","","","","","","","TYROTHRICIN","","CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)O)CC(=O)O)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6","BJSPSQYEAXWPOK-UHFFFAOYSA-N","16132496",NA,"PDBC51534","757363","Present"
-"Pharmakon1600-01501105","","","","","","","","","","","","","","","","","","","","puromycin hydrochloride (usan)","","CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O.Cl","MXJUOYXSYWPMAR-VWLXJURHSA-N","60148403",NA,"PDBC51535","757836","Present"
-"Pharmakon1600-01502258","","","","","","","","","","","","","","","","","","","","MONENSIN SODIUM","","CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CC)O)C)C)C.[Na+]","GYPNBQUSNIBSGD-DUDHYVAZSA-N","60148410",NA,"PDBC51536","758183","Present"
-"Pharmakon1600-01502373","","","","","","","","","","","","","","","","","","","","ramoplanin (usan)","","CC1C(=O)NC(C(=O)OC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC(C)C)C2=CC=C(C=C2)O)C(C)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)CCCN)CC6=CC=CC=C6)C(C)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C(C)O)CCCN)C9=CC=C(C=C9)O)NC(=O)C(CC(=O)N)NC(=O)C=CC=CCC(C)C)C(=O)N)C1=CC(=C(C=C1)O)Cl","KGZHFKDNSAEOJX-TULZXPCASA-N","60148452",NA,"PDBC51537","760084","Present"
-"Pharmakon1600-01503074","","","","","","","","","","","","","","","","","","","","aletamine hydrochloride (usan)","","CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl","JEPAQYCCAYFOBU-UHFFFAOYSA-N","18968508",NA,"PDBC51538","759881","Present"
-"Pharmakon1600-01503223","","","","","","","","","","","","","","","","","","","","NSC758408","","C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC(=CC(=C1)N)C(=C2C=CC(=N)C=C2)C3=CC(=CC=C3)N","OILMTGAXBCPFHL-UHFFFAOYSA-N","5702227",NA,"PDBC51539","758408","Present"
-"Pharmakon1600-01503602","","","","","","","","","","","","","","","","","","","","SALINOMYCIN, SODIUM","","CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O.[Na+]","YPZYGIQXBGHDBH-WKWCOTLASA-N","60148415",NA,"PDBC51540","758465","Present"
-"Pharmakon1600-01503722","","","","","","","","","","","","","","","","","","","","atorvastatin calcium (usan)","","CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.[Ca+2]","WOKULUNCKCOMPU-CNZCJKERSA-N","60148418",NA,"PDBC51541","758617","Present"
-"Pharmakon1600-01503867","","","","","","","","","","","","","","","","","","","","Candicidin","","CC1C=CC=CC=CC=CC=CC=CC=CC(CC(C(C(CC(=O)CC(CC(CC(CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(CC(=O)C2=CC=C(C=C2)N)O)O)O)O)O)C(=O)O)O)OC3C(C(C(C(O3)C)O)O)N","HYIZCDMXFDRDFE-RTQJASBYSA-N","51371318",NA,"PDBC51542","759868","Present"
-"Pharmakon1600-01503875","","","","","","","","","","","","","","","","","","","","piroctone olamine (usan)","","CC1=CC(=O)N(C(=C1)CC(C)CC(C)(C)C)O.CC(N)O","JUAUJJPBJGQPET-UHFFFAOYSA-N","51371311",NA,"PDBC51543","759894","Present"
-"Pharmakon1600-01504008","","","","","","","","","","","","","","","","","","","","NSC758664","","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC","QFJCIRLUMZQUOT-NUGANYOESA-N","60148419",NA,"PDBC51544","758664","Present"
-"Pharmakon1600-01504300","","","","","","","","","","","","","","","","","","","","orlistat (usan)","","CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O","AHLBNYSZXLDEJQ-GWMMUDDPSA-N","6710691",NA,"PDBC51545","758881","Present"
-"Pharmakon1600-01506053","","","","","","","","","","","","","","","","","","","","tyloxapol (usan)","","CCCCCCCCC1=CC(=C(C=C1)OC)C.CCCCCCCCC1=CC(=C(C=C1)OC)C.CCCCCCCCC1=CC(=C(C(=C1)C)OC)CC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","XMVBCRTZOPFCFL-UHFFFAOYSA-N","45114175",NA,"PDBC51546","759310","Present"
-"Pharmakon1600-01506084","","","","","","","","","","","","","","","","","","","","proscillaridin (usan)","","CC12CCC(C=C1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)OC6C(C(C(C(O6)O)O)O)O","GIBKNVJEIILEKC-FBDKWHMPSA-N","45114178",NA,"PDBC51547","759307","Present"
-"Pheanthine","","","","","","","","","","","","","","","","","","","","pheanthine","","CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC","WVTKBKWTSCPRNU-LOYHVIPDSA-N","73664",NA,"PDBC51548","105130","Present"
-"Phebestin","","","","","","","","","","","","","","","","","","","","Phebestin","","CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C(CC2=CC=CC=C2)N)O","GGMURINELPSPEF-ANULTFPQSA-N","3075601",NA,"PDBC51549","702307","Present"
-"Phenacyl 2-nitrooxyacetate","","","","","","","","","","","","","","","","","","","","Phenacyl 2-nitrooxyacetate","","C1=CC=C(C=C1)C(=O)COC(=O)CO[N+](=O)[O-]","ZDPSRNFCTWOVGN-UHFFFAOYSA-N","361721",NA,"PDBC51550","624964","Present"
-"Phenacyl 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate","","","","","","","","","","","","","","","","","","","","Phenacyl 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate","","C1=CC=C(C=C1)COC(=O)NC(CCC(=O)N)C(=O)OCC(=O)C2=CC=CC=C2","ZKMPPQXXKPBGLX-UHFFFAOYSA-N","4566522",NA,"PDBC51551","743403","Present"
-"Phenaleno[1,2-b]thiophen-7-one;phenaleno[2,1-b]thiophen-7-one","","","","","","","","","","","","","","","","","","","","Phenaleno[1,2-b]thiophen-7-one;phenaleno[2,1-b]thiophen-7-one","","C1=CC2=C3C(=C1)C4=C(C(=O)C3=CC=C2)SC=C4.C1=CC2=C3C(=C1)C4=C(C=CS4)C(=O)C3=CC=C2","ZISGANMARTVHNR-UHFFFAOYSA-N","288480",NA,"PDBC51552","149692","Present"
-"Phenaleno[1,9-fg]quinoline","","","","","","","","","","","","","","","","","","","","pyreno[2,1-b]pyridine","","C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC=N5)C=C2","VYJCOVWIXYZRQK-UHFFFAOYSA-N","344235",NA,"PDBC51553","401030","Present"
-"Phenanthraquinone monothiosemicarbazone","","","","","","","","","","","","","","","","","","","","Ptq-mtsz","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N=NC(=S)N)O","GDHNUMIWWZGLCR-UHFFFAOYSA-N","929712",NA,"PDBC51554","134390","Present"
-"Phenanthren-10-one, 9,10-dihydro-9-hydroxy-9-(2-aminoethylthio)-, hydrochloride","","","","","","","","","","","","","","","","","","","","Phenanthren-10-one, 9,10-dihydro-9-hydroxy-9-(2-aminoeth...","","C1=CC=C2C(=C1)C3=CC=CC=C3C(C2=O)(O)SCCN.Cl","XSJHLDOFYLYXDB-UHFFFAOYSA-N","212513",NA,"PDBC51555","139049","Present"
-"Phenanthrene-4-carbaldehyde","","","","","","","","","","","","","","","","","","","","4-Phenanthrenecarboxaldehyde","","C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)C=O","ZCPCNJUBMFWRRB-UHFFFAOYSA-N","299447",NA,"PDBC51556","172517","Present"
-"Phenanthrene-9,10-diimine","","","","","","","","","","","","","","","","","","","","Phenanthrene-9,10-diimine","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N","ASBFNPBREVZDOE-UHFFFAOYSA-N","2981",NA,"PDBC51557","684322","Present"
-"Phenanthrene-9,10-diimine;1,10-phenanthroline;ruthenium(2+);chloride","","","","","","","","","","","","","","","","","","","","Phenanthrene-9,10-diimine;1,10-phenanthroline;ruthenium(2+);chloride","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Ru+2]","RTCCHTPMZHHTFQ-UHFFFAOYSA-M","24202034",NA,"PDBC51558","619185","Present"
-"Phenanthrene-9,10-diimine;2-pyridin-2-ylpyridine;ruthenium(2+);chloride","","","","","","","","","","","","","","","","","","","","Phenanthrene-9,10-diimine;2-pyridin-2-ylpyridine;ruthenium(2+);chloride","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[Cl-].[Ru+2]","NHJRUDDAWHKLOM-UHFFFAOYSA-M","24202035",NA,"PDBC51559","619186","Present"
-"Phenanthrene-9,10-diimine;ruthenium(2+);chloride","","","","","","","","","","","","","","","","","","","","Phenanthrene-9,10-diimine;ruthenium(2+);chloride","","C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N.C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N.C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N.[Cl-].[Ru+2]","YJQATQOWAQHOPM-UHFFFAOYSA-M","24202032",NA,"PDBC51560","619182","Present"
-"Phenanthridine, 1,2,3,4,7,8,9,10-octahydro-6-pentyl-","","","","","","","","","","","","","","","","","","","","Phenanthridine, 1,2,3,4,7,8,9,10-octahydro-6-pentyl- (8C...","","CCCCCC1=C2CCCCC2=C3CCCCC3=N1","FNUATPIDZQSFPD-UHFFFAOYSA-N","82749",NA,"PDBC51561","127438","Present"
-"Phenanthridine-4-carboxamide, dihydrochloride","","","","","","","","","","","","","","","","","","","","Phenanthridine-4-carboxamide, 6-(4-methoxyphenyl)- N-[2-...","","CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=C(C=C4)OC.Cl","BGQDPVUXPXHTOV-UHFFFAOYSA-N","386509",NA,"PDBC51562","678905","Present"
-"Phenanthro[3,4-d][1,3]dioxole-6-carboxylic acid","","","","","","","","","","","","","","","","","","","","Phenanthro[3,4-d][1,3]dioxole-6-carboxylic acid","","C1OC2=C(O1)C3=C(C=C2)C(=CC4=CC=CC=C43)C(=O)O","DPHBABDLCQBJHS-UHFFFAOYSA-N","278273",NA,"PDBC51563","127687","Present"
-"Phenanthro[9,10-c][1,2,5]selenadiazole","","","","","","","","","","","","","","","","","","","","Phenanthro[9,10-c][1,2,5]selenadiazole","","C1=CC=C2C(=C1)C3=CC=CC=C3C4=N[Se]N=C24","QVDBLNIKCAGMQA-UHFFFAOYSA-N","357320",NA,"PDBC51564","615554","Present"
-"Phenazine di-N-oxide","","","","","","","","","","","","","","","","","","","","Phenazine di-N-oxide","","C1=CC=C2C(=C1)N(C3=CC=CC=C3[N+]2=O)[O-]","ZMFJCQAPRNRDSK-UHFFFAOYSA-N","228615",NA,"PDBC51565","21666","Present"
-"Phenazine methosulfate","","","","","","","","","","","","","","","","","","","","pms (van)","","C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-]","RXGJTUSBYWCRBK-UHFFFAOYSA-M","9285",NA,"PDBC51566","34661","Present"
-"Phenazine, 1,6-dimethoxy-, 5,10-dioxide","","","","","","","","","","","","","","","","","","","","1,6-Dimethoxyphenanzine di-N-oxide","","COC1=CC=CC2=C1N(C3=C([N+]2=O)C(=CC=C3)OC)[O-]","OGNXLFBCXQYFDB-UHFFFAOYSA-N","15957527",NA,"PDBC51567","742306","Present"
-"Phenazine, 1,6-dimethoxy-, 5-oxide","","","","","","","","","","","","","","","","","","","","1,6-Dimethoxyphenazine mono-N-oxide","","COC1=CC=CC2=C1[N+](=C3C=CC=C(C3=N2)OC)[O-]","YJPUKVVGBLRGID-UHFFFAOYSA-N","15957526",NA,"PDBC51568","742307","Present"
-"Phenazine, 2-chloro-, 5,10-dioxide","","","","","","","","","","","","","","","","","","","","Phenazine, 2-chloro-, 5,10-dioxide","","C1=CC=C2C(=C1)N(C3=C([N+]2=O)C=CC(=C3)Cl)[O-]","NFCIQNJPHBEHLU-UHFFFAOYSA-N","343972",NA,"PDBC51569","400607","Present"
-"Phenazinium,10-dihydro-7-iodo-5-phenyl-3-phenazinyl)amino]-7-iodo-5-phenyl-, inner salt","","","","","","","","","","","","","","","","","","","","Phenazinium, 3-[(5,10-dihydro-7-iodo-5-phenyl-3-phenazin...","","C1=CC=C(C=C1)N2C3=CC(=NC4=CC5=C(C=C4)NC6=C(N5C7=CC=CC=C7)C=C(C=C6)I)C=CC3=NC8=C2C=C(C=C8)I","VQIDRIIUZYVFKR-UHFFFAOYSA-N","5458937",NA,"PDBC51570","402959","Present"
-"Phenazinomycin","","","","","","","","","","","","","","","","","","","","Phenazinomycin","","CC(=CCN1C2=CC=CC=C2N=C3C1=CC=CC3=O)CCC4C(=C)CCCC4(C)C","APNRZHLOPQFNMR-WEIUTZTHSA-N","5459126",NA,"PDBC51571","625545","Present"
-"Phenazopyridine hydrochloride","","","","","","","","","","","","","","","","","","","","pirid","","C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl","QQBPIHBUCMDKFG-UHFFFAOYSA-N","8691",NA,"PDBC51572","1879","Present"
-"Phenethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Phenethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate","","C1=CC=C(C=C1)CCOC(=O)C=CC2=C(C=CC(=C2)F)F","OVMWTYMBYHQFMZ-RMKNXTFCSA-N","5468962",NA,"PDBC51573","680316","Present"
-"Phenethyl 3-(2,5-dihydroxyphenyl)propanoate","","","","","","","","","","","","","","","","","","","","Benzenepropanoic acid, 2,5-dihydroxy-, 2-phenylethylester","","C1=CC=C(C=C1)CCOC(=O)CCC2=C(C=CC(=C2)O)O","HANVRACIAIQRLU-UHFFFAOYSA-N","387004",NA,"PDBC51574","680317","Present"
-"Phenethyl isothiocyanate","","","","","","","","","","","","","","","","","","","","Phenethyl Isothiocyanate","","C1=CC=C(C=C1)CCN=C=S","IZJDOKYDEWTZSO-UHFFFAOYSA-N","16741",NA,"PDBC51575","87868","Present"
-"Phenethylamine, N-isopropyl-alpha-methyl-, hydrochloride","","","","","","","","","","","","","","","","","","","","Phenethylamine, N-isopropyl-.alpha.-methyl-, hydrochloride","","CC(C)NC(C)CC1=CC=CC=C1.Cl","JTEZUILSFLCPDP-UHFFFAOYSA-N","213535",NA,"PDBC51576","39688","Present"
-"Phenol (9CI), dihydrochloride","","","","","","","","","","","","","","","","","","","","o-Cresol, 4-[(3-chloro-9-acridinyl)amino]-.alpha.-diethy...","","CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl)O.Cl","APDQMBHJHISBFM-UHFFFAOYSA-N","24184091",NA,"PDBC51577","32938","Present"
-"Phenol red","","","","","","","","","","","","","","","","","","","","p. s. p.","","C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","BELBBZDIHDAJOR-UHFFFAOYSA-N","4766",NA,"PDBC51578","10459","Present"
-"Phenol, (2,2'-(2,2,2-trichloroethylidene)bis(4-chloro-)","","","","","","","","","","","","","","","","","","","","Phenol, 2,2'-(2,2,2-trichloroethylidene)bis[4-chloro- (9CI)","","C1=CC(=C(C=C1Cl)C(C2=C(C=CC(=C2)Cl)O)C(Cl)(Cl)Cl)O","HDYCPSGGGILQTK-UHFFFAOYSA-N","220721",NA,"PDBC51579","3865","Present"
-"Phenol, 2,2'-ethylidenebis(4-chloro-","","","","","","","","","","","","","","","","","","","","AI3-04819","","CC(C1=C(C=CC(=C1)Cl)O)C2=C(C=CC(=C2)Cl)O","USUGTMHBBHEXJX-UHFFFAOYSA-N","95029",NA,"PDBC51580","14195","Present"
-"Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[4-(methylsulfonyl)phenyl]methyl]-","","","","","","","","","","","","","","","","","","","","Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[4-(methylsulfonyl)phenyl]methyl]-","","CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=C(C=C2)S(=O)(=O)C","GFKMGQYGOLGWQV-UHFFFAOYSA-N","362899",NA,"PDBC51581","627373","Present"
-"Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[4-(methylthio)phenyl]methyl]-","","","","","","","","","","","","","","","","","","","","Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[4-(methylthio)phenyl]methyl]-","","CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=C(C=C2)SC","OCCPESPJCOOWOX-UHFFFAOYSA-N","362900",NA,"PDBC51582","627374","Present"
-"Phenol, 2-(2,8-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocin-13-yl)-","","","","","","","","","","","","","","","","","","","","2-(5,13-Dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-17-yl)phenol","","CC1=CC2=C(C=C1)N3CC4=C(C=CC(=C4)C)N(C2)C3C5=CC=CC=C5O","YLAXJAFJRPVOPH-UHFFFAOYSA-N","361906",NA,"PDBC51583","625318","Present"
-"Phenol, 2-[5-(3-bromophenyl)-3-isoxazolyl]-4-methyl-","","","","","","","","","","","","","","","","","","","","Phenol, 2-[5-(3-bromophenyl)-3-isoxazolyl]-4-methyl-","","CC1=CC(=C(C=C1)O)C2=NOC(=C2)C3=CC(=CC=C3)Br","CTVJQAGJMUYAOF-UHFFFAOYSA-N","403647",NA,"PDBC51584","718715","Present"
-"Phenol, 2-[[3-(3-chlorophenyl)-2-quinoxalinyl]methyl]-4-methyl-","","","","","","","","","","","","","","","","","","","","Phenol, 2-[[3-(3-chlorophenyl)-2-quinoxalinyl]methyl]-4-methyl-","","CC1=CC(=C(C=C1)O)CC2=NC3=CC=CC=C3N=C2C4=CC(=CC=C4)Cl","ORBIYVQLNXNTSJ-UHFFFAOYSA-N","403643",NA,"PDBC51585","718711","Present"
-"Phenol, 2-[[4-(dimethylamino)phenyl]methyl]-4,6-bis(1,1-dimethylethyl)-","","","","","","","","","","","","","","","","","","","","Phenol, 2-[[4-(dimethylamino)phenyl]methyl]-4,6-bis(1,1-dimethylethyl)-","","CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=C(C=C2)N(C)C","LMJXPIAUXWCFLM-UHFFFAOYSA-N","362898",NA,"PDBC51586","627372","Present"
-"Phenol, 3,5-dichloro-4-[(4-nitrophenyl)azo]-","","","","","","","","","","","","","","","","","","","","Phenol, 3,5-dichloro-4-[(4-nitrophenyl)azo]-","","C1=CC(=CC=C1N=NC2=C(C=C(C=C2Cl)O)Cl)[N+](=O)[O-]","ZTXWNIBRQUVRQR-UHFFFAOYSA-N","256444",NA,"PDBC51587","83318","Present"
-"Phenol, 4-((2-(4-hydroxyphenyl)-1H-benzimidazol-1-yl)methyl)-","","","","","","","","","","","","","","","","","","","","Benzimidazole, 1-(4-hydroxybenzyl)-2-(4-hydroxyphenyl)-1...","","C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)O)C4=CC=C(C=C4)O","UCPIAPAZIWRDBJ-UHFFFAOYSA-N","373076",NA,"PDBC51588","648927","Present"
-"Phenol, 4-[(E)-[[(octahydro-2H-quinolizin-1-yl)methyl]imino]methyl]-","","","","","","","","","","","","","","","","","","","","4-[(1E)-3-(6-azabicyclo[4.4.0]dec-2-yl)-2-azaprop-1-enyl]phenol","","C1CCN2CCCC(C2C1)CN=CC3=CC=C(C=C3)O","CQQPHVVCNFQDKX-UHFFFAOYSA-N","394203",NA,"PDBC51589","697485","Present"
-"Phenol, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-","","","","","","","","","","","","","","","","","","","","phenyl, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-","","C1=CC=C(C=C1)CNC2=CC=C(C=C2)CSC3=CC=C(C=C3)O","FBKLCZPXKYOIAC-UHFFFAOYSA-N","319188",NA,"PDBC51590","260922","Present"
-"Phenol, 4-nitro-2-[[(4-phenyl-2-thiazolyl)imino]methyl]-","","","","","","","","","","","","","","","","","","","","4-Nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol","","C1=CC=C(C=C1)C2=CSC(=N2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])O","WEHOGRSUNLNPPI-RQZCQDPDSA-N","135505166",NA,"PDBC51591","697488","Present"
-"Phenol, acetate (ester), monohydrochloride","","","","","","","","","","","","","","","","","","","","Phenol, 4-(9-acridinylamino)-, acetate (ester), monohydr...","","CC(=O)OC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl","LIBJGMQHUROHBP-UHFFFAOYSA-N","24195681",NA,"PDBC51592","194261","Present"
-"Phenol, cobalt(+3) complex, monoazide salt","","","","","","","","","","","","","","","","","","","","Phenol, 4-ethyl-2-[(E)-[[3-[[3-[[(1E)-(2-hydroxy- 5-meth...","","CCC1=CC(=C(C=C1)[O-])C=NCCCN(C)CCCN=CC2=C(C=CC(=C2)C)[O-].[N-]=[N+]=[N-].[Co+3]","OENGSCWUVRHEJV-UHFFFAOYSA-L","5459108",NA,"PDBC51593","618077","Present"
-"Phenolnaphthalein derivative, 1","","","","","","","","","","","","","","","","","","","","Phenolnaphthalein derivative, 1","","C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC(=C(C=C4)O)F)C5=CC(=C(C=C5)O)F","SPKXRRWGTBJOFK-UHFFFAOYSA-N","403898",NA,"PDBC51594","719487","Present"
-"Phenosafranin","","","","","","","","","","","","","","","","","","","","phenosafranin","","C1=CC=C(C=C1)[N+]2=C3C=C(C=CC3=NC4=C2C=C(C=C4)N)N.[Cl-]","SOUHUMACVWVDME-UHFFFAOYSA-N","65732",NA,"PDBC51595","9855","Present"
-"Phenothiazine, di-hydrochloride","","","","","","","","","","","","","","","","","","","","Phenothiazine, 10-[2-methyl-3-(4-methyl-1-piperazinyl)pr...","","CC(CN1CCN(CC1)C)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl","XWBFOIGJDPLQJA-UHFFFAOYSA-N","54599872",NA,"PDBC51596","50440","Present"
-"Phenothiazine, difumarate","","","","","","","","","","","","","","","","","","","","Phenothiazine, 2-azido-10-[4-(4-methyl-1-piperazinyl)butyl]-, difumarate","","CN1CCN(CC1)CCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)N=[N+]=[N-].C(=CC(=O)O)C(=O)O","MOFVICCXFFSCJU-BTJKTKAUSA-N","54608153",NA,"PDBC51597","676879","Present"
-"Phenothiazine, disuccinate","","","","","","","","","","","","","","","","","","","","Butanedioic acid, compd. with 10-[3-(4-methyl-1-piperazi...","","CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.C(CC(=O)O)C(=O)O","JMZPVBWHQMLKEL-UHFFFAOYSA-N","5351168",NA,"PDBC51598","46061","Present"
-"Phenoxan","","","","","","","","","","","","","","","","","","","","Phenoxan","","CCC1=C(OC(=C(C1=O)C)OC)C2=COC(=N2)CCC(=CC3=CC=CC=C3)C","OFVMLCJEDYAOIB-FYWRMAATSA-N","5467345",NA,"PDBC51599","650914","Present"
-"Phenoxathiin-2-ylmethyl carbamimidothioate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC691900","","C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)CSC(=N)N.Cl","DMGWJYXDJICWHA-UHFFFAOYSA-N","392088",NA,"PDBC51600","691900","Present"
-"Phenoxathiine-4-carbohydrazide","","","","","","","","","","","","","","","","","","","","Phenoxathiine-4-carbohydrazide","","C1=CC=C2C(=C1)OC3=C(C=CC=C3S2)C(=O)NN","XHWZCJKPJAVTSA-UHFFFAOYSA-N","227334",NA,"PDBC51601","18880","Present"
-"Phenyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate","","","","","","","","","","","","","","","","","","","","Phenyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate","","C1CC2C#CC=CC#CC3C4(C1)C2(O4)C5=CC=CC=C5N3C(=O)OC6=CC=CC=C6","FNZFZJJRAOLVCB-SBJOHIGOSA-N","5468682",NA,"PDBC51602","674449","Present"
-"Phenyl (2,4-dioxo-2H-chromen-3(4H)-ylidene)methylcarbamate","","","","","","","","","","","","","","","","","","","","Phenyl (2,4-dioxo-2H-chromen-3(4H)-ylidene)methylcarbamate","","C1=CC=C(C=C1)OC(=O)N=CC2=C(C3=CC=CC=C3OC2=O)O","RUIMCHYMTLKUCZ-VCHYOVAHSA-N","135409214",NA,"PDBC51603","667002","Present"
-"Phenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, phenyl ester...","","C1=CC=C(C=C1)OC(=O)C=CC2=CC(=C(C=C2)O)O","LDBPIZIYTBIRPM-VQHVLOKHSA-N","5910817",NA,"PDBC51604","700127","Present"
-"Phenyl (E)-3-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","Phenyl (E)-3-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)prop-2-enoate","","CN1C(=C(C(=O)N(C1=O)C)C=CC(=O)OC2=CC=CC=C2)N","XACSUPQVNLTVIS-CMDGGOBGSA-N","5469331",NA,"PDBC51605","686403","Present"
-"Phenyl 1-(((1,3-dibromo-5-hydroxy-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)amino)carbonyl)-2-methylpropylcarbamate","","","","","","","","","","","","","","","","","","","","Phenyl N-[1-[(1,3-dibromo-5-hydroxy-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate","","CC(C)C(C(=O)NC1C(C(=O)C2=C(SC(=C12)Br)Br)O)NC(=O)OC3=CC=CC=C3","VIVBQHNRIQBHIH-UHFFFAOYSA-N","378803",NA,"PDBC51606","662122","Present"
-"Phenyl 1-cyano-1-phenylethyl(2-phenylethyl)carbamate","","","","","","","","","","","","","","","","","","","","Phenyl 1-cyano-1-phenylethyl(2-phenylethyl)carbamate","","CC(C#N)(C1=CC=CC=C1)N(CCC2=CC=CC=C2)C(=O)OC3=CC=CC=C3","FUWLTBFRTDYGSY-UHFFFAOYSA-N","387710",NA,"PDBC51607","681739","Present"
-"Phenyl 2,3-dibromo-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","Phenyl 2,3-dibromo-3-phenylpropanoate","","C1=CC=C(C=C1)C(C(C(=O)OC2=CC=CC=C2)Br)Br","ZAXQJVJMPQUZSW-UHFFFAOYSA-N","231771",NA,"PDBC51608","28484","Present"
-"Phenyl 2,4-dihydroxy-5-pyrimidinylcarbamate","","","","","","","","","","","","","","","","","","","","Phenyl 2,4-dihydroxy-5-pyrimidinylcarbamate","","C1=CC=C(C=C1)OC(=O)NC2=CNC(=O)NC2=O","GWLJOJIFRCVMGV-UHFFFAOYSA-N","253997",NA,"PDBC51609","77597","Present"
-"Phenyl 2-(3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonate","","","","","","","","","","","","","","","","","","","","Phenyl 2-(3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonate","","C1CCC(CC1)N2C(=O)CC(=O)N(C2=O)C3=CC=CC=C3S(=O)(=O)OC4=CC=CC=C4","BEFDXEZAPJMFBK-UHFFFAOYSA-N","334318",NA,"PDBC51610","339124","Present"
-"Phenyl 2-(phenylmethoxycarbonylamino)acetate","","","","","","","","","","","","","","","","","","","","RLKHNNGEYFFESK-UHFFFAOYSA-N","","C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC=CC=C2","RLKHNNGEYFFESK-UHFFFAOYSA-N","357740",NA,"PDBC51611","617260","Present"
-"Phenyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate","","","","","","","","","","","","","","","","","","","","Phenyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate","","CC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OC3=CC=CC=C3","HRWJILHXBLUMEN-UHFFFAOYSA-N","324207",NA,"PDBC51612","288680","Present"
-"Phenyl 2-cyanoquinoline-1(2h)-carboxylate","","","","","","","","","","","","","","","","","","","","Phenyl 2-cyanoquinoline-1(2h)-carboxylate","","C1=CC=C(C=C1)OC(=O)N2C(C=CC3=CC=CC=C32)C#N","JFWWEBYJFNRKAL-UHFFFAOYSA-N","288257",NA,"PDBC51613","149011","Present"
-"Phenyl 3,5-bis(methoxymethoxy)benzoate","","","","","","","","","","","","","","","","","","","","Phenyl 3,5-bis(methoxymethoxy)benzoate","","COCOC1=CC(=CC(=C1)C(=O)OC2=CC=CC=C2)OCOC","GIXZJRJUYIPGMU-UHFFFAOYSA-N","395476",NA,"PDBC51614","700117","Present"
-"Phenyl 3-(3,3-dimethyltriazeno)-p-toluate","","","","","","","","","","","","","","","","","","","","LS-154281","","CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)N=NN(C)C","BWZLIYAVTBMFEA-UHFFFAOYSA-N","374078",NA,"PDBC51615","651338","Present"
-"Phenyl 4-(1-hydroxypropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylate","","","","","","","","","","","","","","","","","","","","Phenyl 4-(1-hydroxypropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylate","","CC(CO)C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#CCOCC4=CC=CC=C4","NCJYCHFVSNVILT-UHFFFAOYSA-N","6712814",NA,"PDBC51616","715327","Present"
-"Phenyl 4-[(2R)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate","","","","","","","","","","","","","","","","","","","","Phenyl 4-[(2R)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate","","CC(CO)C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#C[Si](C)(C)C","QMBUWUDOIGQBNM-OYKVQYDMSA-N","5471910",NA,"PDBC51617","715329","Present"
-"Phenyl 4-[(2S)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate","","","","","","","","","","","","","","","","","","","","Phenyl 4-[(2S)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate","","CC(CO)C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#C[Si](C)(C)C","QMBUWUDOIGQBNM-MRTLOADZSA-N","5471909",NA,"PDBC51618","715328","Present"
-"Phenyl 4-chloro-3-nitrobenzenesulfonate","","","","","","","","","","","","","","","","","","","","DXNLDBASBALMSX-UHFFFAOYSA-N","","C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]","DXNLDBASBALMSX-UHFFFAOYSA-N","266121",NA,"PDBC51619","103231","Present"
-"Phenyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Phenyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride","","CC1=C(NC(=C1C(=O)OC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC.Cl","IFBGRJRYJDVQLD-GRWWMUSUSA-N","136040168",NA,"PDBC51620","753666","Present"
-"Phenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Phenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate","","C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","VLAVQNSKKDLVGI-UHFFFAOYSA-N","402499",NA,"PDBC51621","716525","Present"
-"Phenyl 7-fluoro-4-oxo-4H-chromene-3-sulfonate","","","","","","","","","","","","","","","","","","","","Phenyl 7-fluoro-4-oxo-4H-chromene-3-sulfonate","","C1=CC=C(C=C1)OS(=O)(=O)C2=COC3=C(C2=O)C=CC(=C3)F","ZFFKRDOUKXIAQE-UHFFFAOYSA-N","382411",NA,"PDBC51622","669972","Present"
-"Phenyl N,N-bis(2-chloroethyl)-N'-phenyldiamidophosphate","","","","","","","","","","","","","","","","","","","","N-[Bis(2-chloroethyl)amino-phenoxy-phosphoryl]aniline","","C1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=CC=CC=C2","ZETCJHOQMBKILQ-UHFFFAOYSA-N","370332",NA,"PDBC51623","643191","Present"
-"Phenyl N-(2-phenylimidazo[1,2-a]pyridin-6-yl)carbamate","","","","","","","","","","","","","","","","","","","","Phenyl N-(2-phenylimidazo[1,2-a]pyridin-6-yl)carbamate","","C1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)NC(=O)OC4=CC=CC=C4","OHJQGUHKCHBHLC-UHFFFAOYSA-N","398321",NA,"PDBC51624","708035","Present"
-"Phenyl N-(6,8-dibromo-2-oxochromene-3-carbonyl)carbamate","","","","","","","","","","","","","","","","","","","","Phenyl N-(6,8-dibromo-2-oxochromene-3-carbonyl)carbamate","","C1=CC=C(C=C1)OC(=O)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br","WMXQJMBYTPEWGQ-UHFFFAOYSA-N","359132",NA,"PDBC51625","619702","Present"
-"Phenyl N-cyano-N'-(2-(1H-indol-3-yl)ethyl)imidocarbamate","","","","","","","","","","","","","","","","","","","","1-Cyano-3-[2-(1H-indol-3-yl)ethyl]-2-phenyl-isourea","","C1=CC=C(C=C1)OC(=NCCC2=CNC3=CC=CC=C32)NC#N","XVJFEGCIJZOKAV-UHFFFAOYSA-N","375247",NA,"PDBC51626","654636","Present"
-"Phenyl acetate","","","","","","","","","","","","","","","","","","","","acetylphenol","","CC(=O)OC1=CC=CC=C1","IPBVNPXQWQGGJP-UHFFFAOYSA-N","31229",NA,"PDBC51627","27795","Present"
-"Phenyl carbamate","","","","","","","","","","","","","","","","","","","","Phenyl carbamate","","C1=CC=C(C=C1)OC(=O)N","BSCCSDNZEIHXOK-UHFFFAOYSA-N","69322",NA,"PDBC51628","66509","Present"
-"Phenyl cyano(phenyl)methyl(2-phenylethyl)carbamate","","","","","","","","","","","","","","","","","","","","Phenyl cyano(phenyl)methyl(2-phenylethyl)carbamate","","C1=CC=C(C=C1)CCN(C(C#N)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3","BSXCMSZGKZFGJP-UHFFFAOYSA-N","387708",NA,"PDBC51629","681737","Present"
-"Phenyl cyano(phenyl)methyl(hexyl)carbamate","","","","","","","","","","","","","","","","","","","","Phenyl cyano(phenyl)methyl(hexyl)carbamate","","CCCCCCN(C(C#N)C1=CC=CC=C1)C(=O)OC2=CC=CC=C2","RMPDARWUDHEONV-UHFFFAOYSA-N","387709",NA,"PDBC51630","681738","Present"
-"Phenyl diphenylcarbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, diphenyl-, phenyl ester (8CI)","","C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)OC3=CC=CC=C3","XSJJNRDFIMCZRS-UHFFFAOYSA-N","221776",NA,"PDBC51631","6821","Present"
-"Phenyl gallate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 3,4,5-trihydroxy-, phenyl ester","","C1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)O)O)O","HBZMQFJTPHSKNH-UHFFFAOYSA-N","333279",NA,"PDBC51632","333571","Present"
-"Phenyl prop-1-ynyl sulphone","","","","","","","","","","","","","","","","","","","","Phenyl prop-1-ynyl sulphone","","CC#CS(=O)(=O)C1=CC=CC=C1","LYYXDHMLCDVGGI-UHFFFAOYSA-N","137626",NA,"PDBC51633","168905","Present"
-"Phenyl thiourea ethylene diamino isosampangine","","","","","","","","","","","","","","","","","","","","Phenyl thiourea ethylene diamino isosampangine","","C1=CC=C(C=C1)NC(=S)NCCNC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5","YHTZRIOZBJKOIY-UHFFFAOYSA-N","46854492",NA,"PDBC51634","723396","Present"
-"Phenyl(2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methanone","","","","","","","","","","","","","","","","","","","","Phenyl(2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methanone","","C1COS(=O)(=O)C(S(=O)(=O)O1)C(=O)C2=CC=CC=C2","YHZXTNMSOFRFSU-UHFFFAOYSA-N","372719",NA,"PDBC51635","648302","Present"
-"Phenyl(2-phenylthieno[2,3-b]quinoxalin-3-yl)methanone","","","","","","","","","","","","","","","","","","","","Phenyl(2-phenylthieno[2,3-b]quinoxalin-3-yl)methanone","","C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N=C3S2)C(=O)C5=CC=CC=C5","GQRULGOKPURVQE-UHFFFAOYSA-N","364665",NA,"PDBC51636","631261","Present"
-"Phenyl(2-trimethylsilylethynyl)iodanium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","NSC646705","","C[Si](C)(C)C#C[I+]C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]","ZNAYYADNSBQPEH-UHFFFAOYSA-M","10972396",NA,"PDBC51637","646705","Present"
-"Phenyl(3-phenyl-1-(phenylsulfonyl)-2-aziridinyl)methanone","","","","","","","","","","","","","","","","","","","","Phenyl(3-phenyl-1-(phenylsulfonyl)-2-aziridinyl)methanone","","C1=CC=C(C=C1)C2C(N2S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","VYYHECSZIFMLKM-UHFFFAOYSA-N","389290",NA,"PDBC51638","685109","Present"
-"Phenyl(prop-1-ynyl)iodanium;trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","Phenyl(prop-1-ynyl)iodanium;trifluoromethanesulfonate","","CC#C[I+]C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]","CTCCFJOOGLASKQ-UHFFFAOYSA-M","11111958",NA,"PDBC51639","646703","Present"
-"Phenyl(tribromomethyl)mercury","","","","","","","","","","","","","","","","","","","","Mercury, phenyl(tribromomethyl)-","","C1=CC=C(C=C1)[Hg]C(Br)(Br)Br","PLHSKXBFZPAQOD-UHFFFAOYSA-N","76801",NA,"PDBC51640","173931","Present"
-"Phenyl-(2-phenylphenyl)methanone","","","","","","","","","","","","","","","","","","","","phenylbenzophenone","","C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C3=CC=CC=C3","ZBVQEUUTPTVMHY-UHFFFAOYSA-N","407452",NA,"PDBC51641","5639","Present"
-"Phenyl-2-nitrophenyl sulfoximine","","","","","","","","","","","","","","","","","","","","Phenyl-2-nitrophenyl sulfoximine","","C1=CC=C(C=C1)S(=N)(=O)C2=CC=CC=C2[N+](=O)[O-]","NHHZERQGWKPSPS-UHFFFAOYSA-N","372256",NA,"PDBC51642","647311","Present"
-"Phenyl-2-nitrophenylsulfilimine, hydrochloride [1:1]","","","","","","","","","","","","","","","","","","","","Phenyl-2-nitrophenylsulfilimine, hydrochloride [1:1]","","C1=CC=C(C=C1)S(=N)C2=CC=CC=C2[N+](=O)[O-].Cl","BIFAFLUXNOBGHC-UHFFFAOYSA-N","372409",NA,"PDBC51643","647460","Present"
-"Phenyl-[(1R,2R)-2-phenylselanyl-2-trimethylsilylcyclobutyl]methanone","","","","","","","","","","","","","","","","","","","","NSC644012","","C[Si](C)(C)C1(CCC1C(=O)C2=CC=CC=C2)[Se]C3=CC=CC=C3","SNQNYOYTMQNFNH-QUCCMNQESA-N","6711822",NA,"PDBC51644","644012","Present"
-"Phenyl-[(4Z,5Z)-3-(p-tolyl)-4,5-bis(p-tolylimino)-2-thioxo-imidazolidin-1-yl]methanone","","","","","","","","","","","","","","","","","","","","Phenyl-[(4Z,5Z)-3-(p-tolyl)-4,5-bis(p-tolylimino)-2-thioxo-imidazolidin-1-yl]methanone","","CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)N(C(=S)N2C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5","GBUNEGROTKRLBG-UHFFFAOYSA-N","383279",NA,"PDBC51645","671393","Present"
-"Phenyl-[2-[2,3,4,5-tetrachloro-6-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-benzimidazol-5-yl]methanone","","","","","","","","","","","","","","","","","","","","Phenyl-[2-[2,3,4,5-tetrachloro-6-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-benzimidazol-5-yl]methanone","","C1=CC=C(C=C1)C2=NN=C(O2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=C(N4)C=C(C=C5)C(=O)C6=CC=CC=C6","XPQWRFMWKOTDFW-UHFFFAOYSA-N","402241",NA,"PDBC51646","716132","Present"
-"Phenyl-[2-[2,3,4,5-tetrachloro-6-[5-(3,6-dichloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methanone","","","","","","","","","","","","","","","","","","","","Phenyl-[2-[2,3,4,5-tetrachloro-6-[5-(3,6-dichloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methanone","","COC1=C(C=CC(=C1C2=NN=C(O2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=C(N4)C=C(C=C5)C(=O)C6=CC=CC=C6)Cl)Cl","HBXLYVMEBGBGLR-UHFFFAOYSA-N","402243",NA,"PDBC51647","716134","Present"
-"Phenyl-[5-(pyridin-3-ylamino)-1,2-oxazolidin-2-yl]methanone","","","","","","","","","","","","","","","","","","","","Phenyl[5-(pyridin-3-ylamino)-1,2-oxazolidin-2-yl]methanone","","C1CN(OC1NC2=CN=CC=C2)C(=O)C3=CC=CC=C3","YIORQQBRGXBSPY-UHFFFAOYSA-N","377013",NA,"PDBC51648","658231","Present"
-"Phenyl-dipyrenylphosphine oxide","","","","","","","","","","","","","","","","","","","","POPy2","","COC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)O)C(C(C3C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)OC)C(=O)C5=CC=C(C=C5)O","USSDWOBCBIQPKN-UHFFFAOYSA-N","5472842",NA,"PDBC51649","721969","Present"
-"Phenylacetic acid","","","","","","","","","","","","","","","","","","","","phenylacetic acid","","C1=CC=C(C=C1)CC(=O)O","WLJVXDMOQOGPHL-UHFFFAOYSA-N","999",NA,"PDBC51650","125718","Present"
-"Phenylalanine, N-(3-bromobenzoyl)-4-iodo-","","","","","","","","","","","","","","","","","","","","Phenylalanine, N-(3-bromobenzoyl)-4-iodo-","","C1=CC(=CC(=C1)Br)C(=O)NC(CC2=CC=C(C=C2)I)C(=O)O","SONBIKCMTGMUHM-UHFFFAOYSA-N","336955",NA,"PDBC51651","353284","Present"
-"Phenylalanine, N-(4-bromobenzoyl)-4-iodo-","","","","","","","","","","","","","","","","","","","","Phenylalanine, N-(4-bromobenzoyl)-4-iodo-","","C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)Br)I","UTLBSYBMRWJKBX-UHFFFAOYSA-N","336953",NA,"PDBC51652","353282","Present"
-"Phenylalanine, N-(fluorophenylboryl)-N-methyl-","","","","","","","","","","","","","","","","","","","","Phenylalanine, N-(fluorophenylboryl)-N-methyl-","","","","",NA,"PDBC51653","656976","Present"
-"Phenylbiguanide mbt-salt","","","","","","","","","","","","","","","","","","","","Phenylbiguanide mbt-salt","","C1=CC=C(C=C1)N=C(N)N=C(N)N.C1=CC=C2C(=C1)NC(=S)S2","HQXQVKSGCXSRGH-UHFFFAOYSA-N","3034162",NA,"PDBC51654","8174","Present"
-"Phenylboronic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, pinacol cyclic ester","","","","","","","","","","","","","","","","","","","","Phenylboronic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]...","","B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C","RBNUCWPUHZQCLG-UHFFFAOYSA-N","60147484",NA,"PDBC51655","732534","Present"
-"Phenylethyl 3-methylcaffeate","","","","","","","","","","","","","","","","","","","","NSC671193","","COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O","CZQNYPBIOHVQQN-CSKARUKUSA-N","5284444",NA,"PDBC51656","671193","Present"
-"Phenylmercury benzoate","","","","","","","","","","","","","","","","","","","","phenylmercury benzoate","","C1=CC=C(C=C1)C(=O)O[Hg]C2=CC=CC=C2","ZXFQZMVPEYERPI-UHFFFAOYSA-M","16682929",NA,"PDBC51657","84248","Present"
-"Phenylmethylsulfonyl fluoride","","","","","","","","","","","","","","","","","","","","pmsf","","C1=CC=C(C=C1)CS(=O)(=O)F","YBYRMVIVWMBXKQ-UHFFFAOYSA-N","4784",NA,"PDBC51658","88499","Present"
-"Phenyramidol hydrochloride","","","","","","","","","","","","","","","","","","","","elan","","C1=CC=C(C=C1)C(CNC2=CC=CC=N2)O.Cl","HYYDHUILGLWOOP-UHFFFAOYSA-N","9469",NA,"PDBC51659","17777","Present"
-"Pheophorbide a","","","","","","","","","","","","","","","","","","","","Pheophorbide a","","CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)OC)O)C)C","RKEBXTALJSALNU-LDCXZXNSSA-N","253193",NA,"PDBC51660","75783","Present"
-"Pheophorbide b","","","","","","","","","","","","","","","","","","","","Pheophorbide b","","CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)OC)C","KZTYPOGXRFTJBN-MMLDQJOMSA-N","135426827",NA,"PDBC51661","75782","Present"
-"Phidianidine a","","","","","","","","","","","","","","","","","","","","phidianidine A","","C1=CC2=C(C=C1Br)NC=C2CC3=NC(=NO3)NCCCCCN=C(N)N","SSDJERJRAHRKGJ-UHFFFAOYSA-N","59053149",NA,"PDBC51662","764069","Present"
-"Philonotisflavone","","","","","","","","","","","","","","","","","","","","Philonotisflavone","","C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4O)O)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O","MJRDPDQSEGRCID-UHFFFAOYSA-N","5469098",NA,"PDBC51663","683134","Present"
-"Phimm","","","","","","","","","","","","","","","","","","","","pimm","","C1=CC=C(C=C1)[Hg]N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl","FNZAAEDNGCUHJL-UHFFFAOYSA-M","110719",NA,"PDBC51664","22201","Present"
-"Phleomycin (8CI 9CI)","","","","","","","","","","","","","","","","","","","","Phleomycin (8CI 9CI)","","","","",NA,"PDBC51665","61586","Present"
-"Phloeodictine A 1","","","","","","","","","","","","","","","","","","","","phloeodictine A 1","","C=CCCCCCCCCCCC1(C=CC2=[N+](CCCN21)CCCCCN=C(N)N)O.Cl.[Cl-]","QFKQZEJNXPZISH-UHFFFAOYSA-M","24203015",NA,"PDBC51666","726512","Present"
-"Phlorizine","","","","","","","","","","","","","","","","","","","","phlorizin","","C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O","IOUVKUPGCMBWBT-UHFFFAOYSA-N","4789",NA,"PDBC51667","2833","Present"
-"Pholedrine sulphate","","","","","","","","","","","","","","","","","","","","pholedrine sulfate","","CC(CC1=CC=C(C=C1)O)NC.OS(=O)(=O)O","PFBFUZCCJVXPKX-UHFFFAOYSA-N","12314174",NA,"PDBC51668","96983","Present"
-"Phomazarin","","","","","","","","","","","","","","","","","","","","Phomazarin","","CCCCC1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=O)C(=C(N3)C(=O)O)O)O)OC","YGIXUDSUMVVCHC-UHFFFAOYSA-N","318385",NA,"PDBC51669","254677","Present"
-"Phomopsolide D","","","","","","","","","","","","","","","","","","","","Phomopsolide D","","CC=C(C)C(=O)OC1C=CC(=O)OC1CCC(C(C)O)O","ZFVYHTGRRBKBJE-BUEHMHBYSA-N","11460721",NA,"PDBC51670","740602","Present"
-"Phomopsolide E","","","","","","","","","","","","","","","","","","","","Phomopsolide E","","CC=C(C)C(=O)OC1C=CC(=O)OC1CCC(=O)C(C)O","DZUFXUWCLMAHIK-VOUBRIMZSA-N","45028010",NA,"PDBC51671","740603","Present"
-"Phorbol, diacetyl-12-octadienoyl-4-deoxy-","","","","","","","","","","","","","","","","","","","","PHORBOL, DIACETYL-12-OCTADIENOYL-4-DEOXY-","","CCCC=CC=CC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)C)OC(=O)C)COC(=O)C)C)O)C","AQNPLFNMZANJHM-YJAFVAKHSA-N","5384537",NA,"PDBC51672","339875","Present"
-"Phosphine oxide, ethyldimethyl-","","","","","","","","","","","","","","","","","","","","Phosphine oxide, ethyldimethyl-","","CCP(=O)(C)C","DKPBGPGFLDMHRG-UHFFFAOYSA-N","357576",NA,"PDBC51673","617056","Present"
-"Phosphine, (dichloromethylene)[2,4,6-tris(1,1-dimethylethyl)phenyl]-","","","","","","","","","","","","","","","","","","","","Phosphine, (dichloromethylene)[2,4,6-tris(1,1-dimethylethyl)phenyl]-","","CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)P=C(Cl)Cl)C(C)(C)C","DPPBWVLXJGGWOP-UHFFFAOYSA-N","394572",NA,"PDBC51674","698141","Present"
-"Phosphine, tris[2-(methylthio)phenyl]-","","","","","","","","","","","","","","","","","","","","DRQSTMDEXDIYTG-UHFFFAOYSA-N","","CSC1=CC=CC=C1P(C2=CC=CC=C2SC)C3=CC=CC=C3SC","DRQSTMDEXDIYTG-UHFFFAOYSA-N","398155",NA,"PDBC51675","707687","Present"
-"Phosphinic acid, [3-(methylthio)-1-[[(phenylacetyl)oxy]amino]propyl]phenyl-","","","","","","","","","","","","","","","","","","","","Phosphinic acid, [3-(methylthio)-1-[[(phenylacetyl)oxy]amino]propyl]phenyl-","","CSCCC(NOC(=O)CC1=CC=CC=C1)P(=O)(C2=CC=CC=C2)O","AXKVUUYOQMFTKZ-UHFFFAOYSA-N","382185",NA,"PDBC51676","669644","Present"
-"Phosphinic acid, bis(1-aziridinyl)-, 2-naphthyl ester","","","","","","","","","","","","","","","","","","","","Phosphinic acid, bis(1-aziridinyl)-, 2-naphthyl ester","","","","",NA,"PDBC51677","55720","Present"
-"Phosphinic acid, methyl ester","","","","","","","","","","","","","","","","","","","","Phosphinic acid, [1-(hydroxyimino)-2-phenylethyl] methyl...","","COP(=O)(C)C(=NO)CC1=CC=CC=C1","NFNSCRWAQXPMNQ-KHPPLWFESA-N","6082545",NA,"PDBC51678","669680","Present"
-"Phosphinic amide, P,P-bis(1-aziridinyl)-N-(1-adamantyl)-","","","","","","","","","","","","","","","","","","","","Phosphinic amide, P,P-bis(1-aziridinyl)-N-tricyclo[3.3.1...","","C1CN1P(=O)(NC23CC4CC(C2)CC(C4)C3)N5CC5","MXRAUZXJODDPPN-UHFFFAOYSA-N","64376",NA,"PDBC51679","166199","Present"
-"Phosphinic amide,P-bis(2,2-dimethyl-1-aziridinyl)-N-2-pyrimidinyl-","","","","","","","","","","","","","","","","","","","","Phosphinic amide, P,P-bis(2,2-dimethyl-1-aziridinyl)-N-2...","","CC1(CN1P(=O)(NC2=NC=CC=N2)N3CC3(C)C)C","FVCNRTJRLGEWKB-UHFFFAOYSA-N","270614",NA,"PDBC51680","113112","Present"
-"Phosphinothioic acid, O-propyl ester","","","","","","","","","","","","","","","","","","","","Phosphinothioic acid, bis(1-aziridinyl)-, O-propyl ester","","CCCOP(=S)(N1CC1)N2CC2","UXWXOVFMTKNTNP-UHFFFAOYSA-N","413097",NA,"PDBC51681","44965","Present"
-"Phosphonamidic acid,N-bis(2-chloroethyl)-, 3-hydroxybutyl ester","","","","","","","","","","","","","","","","","","","","Phosphonamidic acid, P-1-aziridinyl-N,N-bis(2-chloroethy...","","CC(CCOP(=O)(N1CC1)N(CCCl)CCCl)O","MAKFSABVWJGETN-UHFFFAOYSA-N","323645",NA,"PDBC51682","285682","Present"
-"Phosphonemycin","","","","","","","","","","","","","","","","","","","","veramina","","CC1C(O1)P(=O)(O)O.[Na+]","JHXHBFDOOUMZSP-UHFFFAOYSA-N","18432420",NA,"PDBC51683","136017","Present"
-"Phosphonic acid, [1-(aminomethyl)-2-phenylethyl]-","","","","","","","","","","","","","","","","","","","","Phosphonic acid, [1-(aminomethyl)-2-phenylethyl]- (9CI)","","C1=CC=C(C=C1)CC(CN)P(=O)(O)O","CLNVFNPGMUAOBW-UHFFFAOYSA-N","281195",NA,"PDBC51684","133811","Present"
-"Phosphonic acid, [1-amino-(3-butylthio)propyl]-","","","","","","","","","","","","","","","","","","","","Phosphonic acid, [1-amino-(3-butylthio)propyl]-","","CCCCSCCC(N)P(=O)(O)O","JXBFRTFYYHOVLK-UHFFFAOYSA-N","382183",NA,"PDBC51685","669642","Present"
-"Phosphonium, bromide, (E)-","","","","","","","","","","","","","","","","","","","","phosphonium, triphenylpropenyl-, bromide, (e)- (8ci)","","CC=C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","DEQBDPCMPVARSX-QMUAEARGSA-M","10714966",NA,"PDBC51686","289922","Present"
-"Phosphonium, dichloride","","","","","","","","","","","","","","","","","","","","NSC660328","","C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-]","RIUKHCIFOGYXIO-UHFFFAOYSA-M","378317",NA,"PDBC51687","660328","Present"
-"Phosphonium,2-propadienyl-, bromide","","","","","","","","","","","","","","","","","","","","Phosphonium, triphenyl-1,2-propadienyl-, bromide (9CI)","","C=C=C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","IEJSECDWUIWJNJ-UHFFFAOYSA-M","22210403",NA,"PDBC51688","110602","Present"
-"Phosphonium,8-octanediylbis[triphenyl-, diiodide","","","","","","","","","","","","","","","","","","","","Phosphonium, 1,8-octanediylbis[triphenyl-, diiodide","","C1=CC=C(C=C1)[P+](CCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[I-]","RSBGGICNCXQYEN-UHFFFAOYSA-M","382552",NA,"PDBC51689","670162","Present"
-"Phosphoric acid--7-chloro-N-{2-[2-(diethylamino)ethanesulfonyl]ethyl}quinolin-4-amine (1/1)","","","","","","","","","","","","","","","","","","","","7-Chloro-N-[2-[2-(diethylamino)ethylsulfonyl]ethyl]quinolin-4-amine;phosphoric acid","","CCN(CC)CCS(=O)(=O)CCNC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O","OQZITYULJYTUDF-UHFFFAOYSA-N","54603830",NA,"PDBC51690","13598","Present"
-"Phosphorin, 1-butyl-4-chloro-1,2-dihydro-3-methyl-, 1-oxide","","","","","","","","","","","","","","","","","","","","Phosphorin, 1-butyl-4-chloro-1,2-dihydro-3-methyl-, 1-oxide","","CCCCP1(=O)CC(=C(C=C1)Cl)C","HHGZNPKIYQLFMA-UHFFFAOYSA-N","368398",NA,"PDBC51691","639389","Present"
-"Phosphorus(1+),2-ethanediolato-O[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N(21),N(22),N(23), N(24)]-, (OC-6-12) chloride","","","","","","","","","","","","","","","","","","","","Phosphorus(1+), bis(1,2-ethanediolato-O[5,10,15,20- tetr...","","C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC5=C(C6=NC(=C(C7=CC=C2N7[P+](N45)(OCCO)OCCO)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C1=CC=CC=C1.[Cl-]","VBTKRTUZSHZLDX-UHFFFAOYSA-M","387852",NA,"PDBC51692","682066","Present"
-"Phosphorus(1+),4-dimethoxyphenyl)tris(N-ethylethanaminato)-, (T-4)-, hexafluorophosphate(1-)","","","","","","","","","","","","","","","","","","","","Phosphorus(1+), (2,4-dimethoxyphenyl)tris(N-ethylethanam...","","CCN(CC)[P+](C1=C(C=C(C=C1)OC)OC)(N(CC)CC)N(CC)CC.F[P-](F)(F)(F)(F)F","COAZLICTGAJRDU-UHFFFAOYSA-N","54612203",NA,"PDBC51693","244697","Present"
-"Phosphotrienin","","","","","","","","","","","","","","","","","","","","FOSTRIECIN","","CC(C=CC1CC=CC(=O)O1)(C(CC(C=CC=CC=CCO)O)OP(=O)(O)O)O.[Na+]","XBUIKNRVGYFSHL-IAVQPKKASA-N","54608697",NA,"PDBC51694","339638","Present"
-"Photobarbatusin I","","","","","","","","","","","","","","","","","","","","photobarbatusin i","","CC1CC12C(C3(C4CC(=O)C(C5C4(C3=C(C2=O)C(C5OC(=O)C)O)C)(C)C)O)OC(=O)C","KJZXTHWPZAGWHW-SZVYZWPRSA-N","321248",NA,"PDBC51695","270914","Present"
-"Phthiocol","","","","","","","","","","","","","","","","","","","","Phthiocol","","CC1=C(C2=CC=CC=C2C(=O)C1=O)O","BGVCGTNXEKDVCB-UHFFFAOYSA-N","10221",NA,"PDBC51696","11897","Present"
-"Phyllanthastatin 1","","","","","","","","","","","","","","","","","","","","B680433K349","","CC1COC2(CC1OC(=O)C=CC3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)OC(=O)C)O)OC7C(C(C(C(O7)C)O)OC(=O)C)O","QJTFVHQEZWKQOM-SDNWHVSQSA-N","5477587",NA,"PDBC51697","332596","Present"
-"Phyllanthin","","","","","","","","","","","","","","","","","","","","Phyllanthin","","COCC(CC1=CC(=C(C=C1)OC)OC)C(CC2=CC(=C(C=C2)OC)OC)COC","KFLQGJQSLUYUBF-WOJBJXKFSA-N","358901",NA,"PDBC51698","619043","Present"
-"Phyllanthoside","","","","","","","","","","","","","","","","","","","","PHYLLANTHOSIDE","","CC1COC2(CC1OC(=O)C=CC3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)O)OC(=O)C)OC7C(C(C(C(O7)C)O)OC(=O)C)O","VOTNXJVGRXZYOA-SDNWHVSQSA-N","5363794",NA,"PDBC51699","328426","Present"
-"Phyllanthoside, S3'-desacetyl-","","","","","","","","","","","","","","","","","","","","phyllanthoside, s3'-desacetyl-","","CC1COC2(CC1OC(=O)C=CC3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)O)OC(=O)C)OC7C(C(C(C(O7)C)O)O)O","OUFOBZYCRFWFCS-JLHYYAGUSA-N","5477653",NA,"PDBC51700","342443","Present"
-"Physalin D","","","","","","","","","","","","","","","","","","","","Physalin D","","CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)O)O)OCC2C(=O)O3)C","DUGJJSWZRHBJJK-UHFFFAOYSA-N","431071",NA,"PDBC51701","288728","Present"
-"Physalin H","","","","","","","","","","","","","","","","","","","","Physalin H","","CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)Cl)O)OCC2C(=O)O3)C","YNEPXUIPALKHAU-NJEWDQLDSA-N","5469437",NA,"PDBC51702","688074","Present"
-"Physalin O","","","","","","","","","","","","","","","","","","","","Physalin O","","CC1C(=O)OC2CC1(C3C(=O)C4(C5C(CCC6(C3(C2(OC6=O)C)O4)O)C7(C(=CC5O)CC=CC7=O)C)O)C","QFAOFAWTSOFSQA-CXIAJCDZSA-N","6712225",NA,"PDBC51703","661114","Present"
-"Physalin R","","","","","","","","","","","","","","","","","","","","Physalin R","","CC12CC3C4(C56C1C7(C(CC5(C(=O)O4)O)C8C(C7(O6)OCC2C(=O)O3)CC=C9C8(C(=O)C=CC9)C)O)C","QIKPZCKXLAUCEB-FLMWSNRHSA-N","390566",NA,"PDBC51704","688075","Present"
-"Physalolactone","","","","","","","","","","","","","","","","","","","","Physalolactone","","CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)Cl)C)O)O)O)C","XCJUXWOCLLPHII-UHFFFAOYSA-N","433866",NA,"PDBC51705","339137","Present"
-"Phytic acid","","","","","","","","","","","","","","","","","","","","alkalovert","","C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","IMQLKJBTEOYOSI-UHFFFAOYSA-N","890",NA,"PDBC51706","269896","Present"
-"Phytic acid, dodecasodium salt from corn","","","","","","","","","","","","","","","","","","","","Phytic acid, dodecasodium salt from corn","","C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[Na+]","AXZYGIPYNXQTON-UHFFFAOYSA-N","54611529",NA,"PDBC51707","709486","Present"
-"Phytochrom chromophore","","","","","","","","","","","","","","","","","","","","Phytochrom chromophore","","CC=C1C(C(=O)NC1CC2=C(C(=C(N2)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)C=C)N3)C)CC(=O)O)CCC(=O)O)C)C","USPFEYBDSGSZCS-PGUBNCGBSA-N","54608815",NA,"PDBC51708","636875","Present"
-"Phytoene","","","","","","","","","","","","","","","","","","","","Phytoene","","CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C","YVLPJIGOMTXXLP-KEKOKYSKSA-N","5280784",NA,"PDBC51709","378840","Present"
-"Phytonadione","","","","","","","","","","","","","","","","","","","Phylloquinone","","","CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C","MBWXNTAXLNYFJB-NKFFZRIASA-N","5284607",NA,"PDBC51710","","Absent"
-"Pibenzimol HCl","","","","","","","","","","","","","","","","","","","","Pibenzimol","","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)O.Cl","UDJDXLXTHZQAAC-UHFFFAOYSA-N","182069",NA,"PDBC51711","322921","Present"
-"Picfeltarraegenin II","","","","","","","","","","","","","","","","","","","","Picfeltarraegenin II","","CC1(C(CCC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C5(C(=O)CC(O5)C(C)(C)O)C)O)C)C)C)O)C","YCNIKEBNKOIJKD-UHFFFAOYSA-N","343255",NA,"PDBC51712","382610","Present"
-"Picfeltarraegenin IV","","","","","","","","","","","","","","","","","","","","Picfeltarraegenin IV","","CC(C)C1=CC(=O)C(O1)(C)C2C(CC3(C2(CC(=O)C4(C3CC=C5C4CCC(C5(C)C)OC(=O)C)C)C)C)O","OAQPMBCYFIHMTG-UHFFFAOYSA-N","343253",NA,"PDBC51713","382608","Present"
-"Picfeltarraenin IA","","","","","","","","","","","","","","","","","","","","picfeltarraenin ia","","CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CC(C6C7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)O)O)O)O)O","WPXIIGGPWPYUSJ-YNOTVBMGSA-N","393059",NA,"PDBC51714","694346","Present"
-"Picfeltarraenin IB","","","","","","","","","","","","","","","","","","","","Picfeltarraenin IB","","CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CC(C6C7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)CO)O)O)O)O)O","YRQJYHITIWJZQN-UHFFFAOYSA-N","343256",NA,"PDBC51715","382611","Present"
-"Picodazole","","","","","","","","","","","","","","","","","","","","Picodazole","","COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CN3","PLBDUAFRLMLHTN-UHFFFAOYSA-N","353155",NA,"PDBC51716","600472","Present"
-"Picolinaldehyde, 2-pyridylhydrazone","","","","","","","","","","","","","","","","","","","","Pyridine-2-aldehyde 2-pyridylhydrazone","","C1=CC=NC(=C1)C=NNC2=CC=CC=N2","KYDLWVBNCQERCD-NTEUORMPSA-N","6436327",NA,"PDBC51717","91513","Present"
-"Picolinaldehyde, 5-(dimethylamino)-, thiosemicarbazone","","","","","","","","","","","","","","","","","","","","Picolinaldehyde, 5-(dimethylamino)-, thiosemicarbazone","","CN(C)C1=CN=C(C=C1)C=NNC(=S)N","NZEDUBYVLGQVSN-LFYBBSHMSA-N","9555761",NA,"PDBC51718","144054","Present"
-"Picoplatin","","","","","","","","","","","","","","","","","","","","Picoplatin","","","","",NA,"PDBC51719","758490","Present"
-"Picramnioside B","","","","","","","","","","","","","","","","","","","","Picramnioside B///Picramnioside C","","CC(=O)OC1C(C(C(C(O1)C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=C(C=C4O)CO)O)O)O","WLMRFFFLFIPZEO-UHFFFAOYSA-N","387184",NA,"PDBC51720","680719///680720","Present"
-"Picropodophyllin","","","","","","","","","","","","","","","","","","","","PICROPODOPHYLLIN///AXL-1717","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O","YJGVMLPVUAXIQN-HAEOHBJNSA-N","72435",NA,"PDBC51721","36407///799342","Present"
-"Picropodophyllotoxin acetate","","","","","","","","","","","","","","","","","","","","Picropodophyllin, acetate","","CC(=O)OC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC","SASVNKPCTLROPQ-RGXPITOMSA-N","233299",NA,"PDBC51722","31708","Present"
-"Pifexole","","","","","","","","","","","","","","","","","","","","udarnol","","C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=NC=C3)Cl","YXVGPSQAIBDQJD-UHFFFAOYSA-N","65758",NA,"PDBC51723","305743","Present"
-"Pigment orange 5","","","","","","","","","","","","","","","","","","","","light orange r","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O","HBHZKFOUIUMKHV-UHFFFAOYSA-N","18981",NA,"PDBC51724","15975","Present"
-"Pilocereine","","","","","","","","","","","","","","","","","","","","pilocereine","","CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC3=C4C(N(CCC4=CC(=C3OC5=C6C(N(CCC6=CC(=C5O)OC)C)CC(C)C)OC)C)CC(C)C","AFQDIEHIPKSXRL-UHFFFAOYSA-N","228285",NA,"PDBC51725","21075","Present"
-"Pilosanone B","","","","","","","","","","","","","","","","","","","","Pilosanone B","","CC1CC(=O)C2CC(=CCCC2C1(C)CCC(=CCO)CO)CO","LDOZOWGJNHIECR-CHHVJCJISA-N","5387652",NA,"PDBC51726","625551","Present"
-"Pimaric acid (L)","","","","","","","","","","","","","","","","","","","","PIMARIC ACID (L)","","CC(C)C1=CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C.CC(C)(CO)N","FYKCISRKXFIEQD-UHFFFAOYSA-N","221063",NA,"PDBC51727","4828","Present"
-"Pimeclone hydrochloride","","","","","","","","","","","","","","","","","","","","NSC18727","","C1CCN(CC1)CC2CCCCC2=O.Cl","CPBMVAYQVPLSFX-UHFFFAOYSA-N","197860",NA,"PDBC51728","18727","Present"
-"Pimonidazole","","","","","","","","","","","","","","","","","","","","Pimonidazole","","C1CCN(CC1)CC(CN2C=CN=C2[N+](=O)[O-])O","WVWOOAYQYLJEFD-UHFFFAOYSA-N","50981",NA,"PDBC51729","380540","Present"
-"Pinacyanol iodide","","","","","","","","","","","","","","","","","","","","Pinacyanol","","CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]","QWYZFXLSWMXLDM-UHFFFAOYSA-M","5463350",NA,"PDBC51730","403532","Present"
-"Pinafide","","","","","","","","","","","","","","","","","","","","Pinafide","","C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]","GBOQUHPYCRYKGV-UHFFFAOYSA-N","327045",NA,"PDBC51731","300289","Present"
-"Pingyangmycin","","","","","","","","","","","","","","","","","","","","pingyangmycin","","CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)O","QYOAUOAXCQAEMW-UHFFFAOYSA-N","84046",NA,"PDBC51732","350895","Present"
-"Pinnatifidin","","","","","","","","","","","","","","","","","","","","Pinnatifidin","","CC1=CC(=O)CC2(C1CC3C(C2)OC(=O)C3=C)C","VTEFIBXQBGMXNK-QVHKTLOISA-N","73465",NA,"PDBC51733","85234","Present"
-"Pinnatin A","","","","","","","","","","","","","","","","","","","","Pinnatin A","","CC1=C2C(C(CCC3=CC(C4(CC4C(=C1)O2)C)OC3=O)C(=C)C)O","RJNSMAYIYZNIMV-ACSCVQKFSA-N","395866",NA,"PDBC51734","700891","Present"
-"Pinnatin B","","","","","","","","","","","","","","","","","","","","Pinnatin B","","CC1=CC(=O)C2CC2(C3C=C(CCC(C(C1=O)OC(=O)C)C(=C)C)C(=O)O3)C","NHVCNLPJSZCWRP-UIOUGSDCSA-N","5470399",NA,"PDBC51735","700892","Present"
-"Pinonic acid oxime","","","","","","","","","","","","","","","","","","","","NSC127947","","CC(=NO)C1CC(C1(C)C)CC(=O)O","INCRTJCZZQLOSX-IZZDOVSWSA-N","5458250",NA,"PDBC51736","127947","Present"
-"Pipamperone","","","","","","","","","","","","","","","","","","","","Pipamperone","","C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N","AXKPFOAXAHJUAG-UHFFFAOYSA-N","4830",NA,"PDBC51737","759178","Present"
-"Piper","","","","","","","","","","","","","","","","","","","","HSCI1_000258","","C1CCN(CC1)CCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCN9CCCCC9)C2=O","GEJMGGZVFDIQCA-UHFFFAOYSA-N","399190",NA,"PDBC51738","709850","Present"
-"Piperazine-1,4-dicarbothiohydrazide","","","","","","","","","","","","","","","","","","","","Piperazine-1,4-dicarbothiohydrazide","","C1CN(CCN1C(=S)NN)C(=S)NN","GISXBSSCHFURCK-UHFFFAOYSA-N","3001885",NA,"PDBC51739","689543","Present"
-"Piperazine-2,5,5-tetracarbonitrile, 3,6-dipropyl-","","","","","","","","","","","","","","","","","","","","Piperazine-2,2,5,5-tetracarbonitrile, 3,6-dipropyl-","","CCCC1C(NC(C(N1)(C#N)C#N)CCC)(C#N)C#N","BSUVUTZXPNGHHL-UHFFFAOYSA-N","398330",NA,"PDBC51740","708049","Present"
-"Piperazine;4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid","","","","","","","","","","","","","","","","","","","","3,7,12-trihydroxycholan-24-oic acid compound with piperazine (1:1)","","CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.C1CNCCN1","GQCPPZBFHGESNJ-UHFFFAOYSA-N","235441",NA,"PDBC51741","36819","Present"
-"Piperazinium,1,4-bis(2-chloroethyl)-1,4-dimethyl-, hydriodide (1:2)","","","","","","","","","","","","","","","","","","","","1,4-Bis(2-chloroethyl)-1,4-dimethylpiperazine-1,4-diium;hydroiodide","","C[N+]1(CC[N+](CC1)(C)CCCl)CCCl.I","AWHWOKXFNLLGPR-UHFFFAOYSA-N","54599308",NA,"PDBC51742","402796","Present"
-"Piperic acid","","","","","","","","","","","","","","","","","","","","Piperonic acid","","C1OC2=C(O1)C=C(C=C2)C=CC=CC(=O)O","RHBGITBPARBDPH-ZPUQHVIOSA-N","5370536",NA,"PDBC51743","129538","Present"
-"Piperidin-1-id-4-ylmethanol;tetrachloroplatinum(2+)","","","","","","","","","","","","","","","","","","","","Platinum, tetrachlorobis(4-pyridinemethanol-N1)-, (OC-6-...","","C1C[N-]CCC1CO.C1C[N-]CCC1CO.Cl[Pt+2](Cl)(Cl)Cl","QLTTVUWFTJBYTR-UHFFFAOYSA-J","54602090",NA,"PDBC51744","182395","Present"
-"Piperidin-1-ide-4-carboxylic acid;tetrachloroplatinum(2+)","","","","","","","","","","","","","","","","","","","","NSC182035","","C1C[N-]CCC1C(=O)O.C1C[N-]CCC1C(=O)O.Cl[Pt+2](Cl)(Cl)Cl","KNFPMZIUFHQXMT-UHFFFAOYSA-J","54606978",NA,"PDBC51745","182035","Present"
-"Piperidin-4-one,5-bis[(2,3,4-trimethoxyphenyl) methylene]-1-methyl-, hydrochloride","","","","","","","","","","","","","","","","","","","","Piperidin-4-one, 3,5-bis[(2,3,4-trimethoxyphenyl) methyl...","","CN1CC(=CC2=C(C(=C(C=C2)OC)OC)OC)C(=O)C(=CC3=C(C(=C(C=C3)OC)OC)OC)C1.Cl","HAKXZTHKIAUNKI-VIWUVAGBSA-N","5468386",NA,"PDBC51746","669441","Present"
-"Piperidine, 1-[2,2-bis(phenylsulfonyl)ethyl]-","","","","","","","","","","","","","","","","","","","","Piperidine, 1-[2,2-bis(phenylsulfonyl)ethyl]-","","C1CCN(CC1)CC(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","OPCDWEXESUWDBE-UHFFFAOYSA-N","361153",NA,"PDBC51747","623985","Present"
-"Piperidine, 1-[2-(9,10-dihydro-9,10-ethanoanthracen-11-yl)-1,1-dioxido-4-phenyl-3-thietanyl]-","","","","","","","","","","","","","","","","","","","","2-phenyl-3-(1-piperidyl)-4-[?]yl-thietane 1,1-dioxide","","C1CCN(CC1)C2C(S(=O)(=O)C2C3=CC=CC=C3)C4CC5C6=CC=CC=C6C4C7=CC=CC=C57","RRIBTWMCISRUHX-UHFFFAOYSA-N","421543",NA,"PDBC51748","135371","Present"
-"Piperidine, 1-[[(1,1-dimethylethyl)imino]methyl]-4-(diphenylmethyl)-","","","","","","","","","","","","","","","","","","","","Piperidine, 1-[[(1,1-dimethylethyl)imino]methyl]-4-(diphenylmethyl)-","","CC(C)(C)N=CN1CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3","YPQCXKVDLZKFSM-UHFFFAOYSA-N","359384",NA,"PDBC51749","620193","Present"
-"Piperidine, 2-(chloromethyl)-1-(3-chloropropyl)-, hydrobromide","","","","","","","","","","","","","","","","","","","","Piperidine, 2-(chloromethyl)-1-(3-chloropropyl)-, (+)-, ...","","C1CCN(C(C1)CCl)CCCCl.Br","ZQEWWNMRYZQAHJ-UHFFFAOYSA-N","149031",NA,"PDBC51750","168674","Present"
-"Piperidine, 2-methyl-6-undecyl-","","","","","","","","","","","","","","","","","","","","METHYLUNDECYLPIPERIDINE, TRANS///METHYLUNDECYLPIPERIDINE, CIS","","CCCCCCCCCCCC1CCCC(N1)C","AYJGABFBAYKWDX-UHFFFAOYSA-N","99090",NA,"PDBC51751","166588///172610","Present"
-"Piperidinium europium benzoyl trifluoroacetonate","","","","","","","","","","","","","","","","","","","","piperidinium europium benzoyl trifluoroacetonate","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=NC=C1.[Eu+3]","QJHXRDPEDNNDLD-UHFFFAOYSA-N","11979537",NA,"PDBC51752","253995","Present"
-"Piperidinium pentamethylenedithiocarbamate","","","","","","","","","","","","","","","","","","","","pmp (van)","","C1CCNCC1.C1CCN(CC1)C(=S)S","PVFZKRMYBKEXBN-UHFFFAOYSA-N","72508",NA,"PDBC51753","1906","Present"
-"Piperidinium, (E,E)-, bromide","","","","","","","","","","","","","","","","","","","","Piperidin-4-ol, N-ethyl-N-methyl-3-(1-oxo-3-phenyl-2-pro...","","CC[N+]1(CCC(C(C1)C(=O)C=CC2=CC=CC=C2)(C=CC3=CC=CC=C3)O)C.[Br-]","USLKKRPHCVKRBA-OHAASFOQSA-M","5386939",NA,"PDBC51754","618770","Present"
-"Piperidinium,1-didodecyl-3-methyl-, bromide","","","","","","","","","","","","","","","","","","","","Piperidinium, 1,1-didodecyl-3-methyl-, bromide","","CCCCCCCCCCCC[N+]1(CCCC(C1)C)CCCCCCCCCCCC.[Br-]","LQEPGIXKXOCKDY-UHFFFAOYSA-M","21144608",NA,"PDBC51755","194124","Present"
-"Piperidinium,5-bis[4-[(dimethylamino)phenyl]methylene]-1,1-dimethyl-4-oxo-, iodide","","","","","","","","","","","","","","","","","","","","Piperidinium, 3,5-bis[4-[(dimethylamino)phenyl]methylene...","","CN(C)C1=CC=C(C=C1)C=C2C[N+](CC(=CC3=CC=C(C=C3)N(C)C)C2=O)(C)C.[I-]","JVOYGKMQZMEFBW-HYOXNGFTSA-M","5386914",NA,"PDBC51756","618757","Present"
-"Piperitenone","","","","","","","","","","","","","","","","","","","","Piperitenone","","CC1=CC(=O)C(=C(C)C)CC1","HKZQJZIFODOLFR-UHFFFAOYSA-N","381152",NA,"PDBC51757","667470","Present"
-"Piperonal, dibenzylmercaptal","","","","","","","","","","","","","","","","","","","","LS-117350","","C1OC2=C(O1)C=C(C=C2)C(SCC3=CC=CC=C3)SCC4=CC=CC=C4","KWUQLYZNZIXVAZ-UHFFFAOYSA-N","199668",NA,"PDBC51758","659160","Present"
-"Piprozoline","","","","","","","","","","","","","","","","","","","","probilin","","CCN1C(=CC(=O)OCC)SC(C1=O)N2CCCCC2","UAXYBJSAPFTPNB-ZHACJKMWSA-N","9904352",NA,"PDBC51759","300622","Present"
-"Pirbuterol HCl","","","","","","","","","","","","","","","","","","","","pirbuterol hydrochloride","","CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O.Cl","GPDAJAWUGSTOSA-UHFFFAOYSA-N","3061720",NA,"PDBC51760","355078","Present"
-"Piritrexim isethionate","","","","","","","","","","","","","","","","","","","","piritrexim isethionate","","CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)OC)OC)N)N.C(CS(=O)(=O)O)O","IOEMETRLOWNXGW-UHFFFAOYSA-N","54368",NA,"PDBC51761","351521","Present"
-"Pitavastatin Calcium","","","","","","","","","","","","","","","","","","","Pitavastatin Ca","PITAVASTATIN CALCIUM///Pitavastatin calcium","","C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]","RHGYHLPFVJEAOC-FFNUKLMVSA-L","5282451",NA,"PDBC51762","760423///779706","Present"
-"Pivalic acid [2-(hydroxymethyl)-4-[(E)-3-isopropyl-4-methylpentylidene]-5-oxotetrahydrofuran-2-yl]methyl ester","","","","","","","","","","","","","","","","","","","","[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate","","CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C(C)(C)C)C(C)C","SDADZOKIHXSRSR-OVCLIPMQSA-N","5470634",NA,"PDBC51763","703762","Present"
-"Pivalic acid [2-(hydroxymethyl)-4-[(Z)-3-isopropyl-4-methylpentylidene]-5-oxotetrahydrofuran-2-yl]methyl ester","","","","","","","","","","","","","","","","","","","","[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate","","CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C(C)(C)C)C(C)C","SDADZOKIHXSRSR-NVNXTCNLSA-N","5470633",NA,"PDBC51764","703761","Present"
-"Plakinidine A","","","","","","","","","","","","","","","","","","","","Plakinidine A","","CN=C1C2=C(C3=C4C1=NC=C4C5=CC=CC=C5N3)NCCC2=O","AMDBWMKCBSPPND-UHFFFAOYSA-N","135409164",NA,"PDBC51765","662422","Present"
-"Plantaricin BN","","","","","","","","","","","","","","","","","","","","Plantaricin BN","","C1CCCCC(C(=O)C(=O)C(CCC1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O","ZPAOCLAKRURAOZ-UHFFFAOYSA-N","380907",NA,"PDBC51766","666690","Present"
-"Platin-B","","","","","","","","","","","","","","","","","","","","Platin-B","","","","",NA,"PDBC51767","787850","Present"
-"Platin-Cbl","","","","","","","","","","","","","","","","","","","","Platin-Cbl","","","","",NA,"PDBC51768","788781","Present"
-"Platin-L","","","","","","","","","","","","","","","","","","","","Platin-L","","","","",NA,"PDBC51769","801199","Present"
-"Platin-M","","","","","","","","","","","","","","","","","","","","Platin-M","","","","",NA,"PDBC51770","787851","Present"
-"Platinate(2-), hexachloro-, (OC-6-11)-, dihydrogen, comp...","","","","","","","","","","","","","","","","","","","","Platinate(2-), hexachloro-, (OC-6-11)-, dihydrogen, comp...","","","","",NA,"PDBC51771","295558","Present"
-"Platinate(2-),2-cyclohexanediamine-N,N')[2-hydroxy-5-[[(8-hydroxy-3,6-disulfo)-1-naphthalenyl]aminosulfonyl] benzoato-O(1),O(2)]-, dihydrogen, (SP-4-3)","","","","","","","","","","","","","","","","","","","","Platinate(2-), (1,2-cyclohexanediamine-N,N')[2-hydroxy- ...","","C1CCC(C(C1)N)N.C1=CC(=C(C=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])C(=O)[O-])[O-].[Pt+4]","YZTPUZNGNIJCSJ-UHFFFAOYSA-J","24201982",NA,"PDBC51772","614886","Present"
-"Platinum(2+), dichlorobis[2-(dichloroamino)-2-methyl- 1,...","","","","","","","","","","","","","","","","","","","","Platinum(2+), dichlorobis[2-(dichloroamino)-2-methyl- 1,...","","","","",NA,"PDBC51773","633053","Present"
-"Platinum(3+),2-cyclohexanediamine-N,N')trimu-hydroxytri-, cyclo, trinitrate","","","","","","","","","","","","","","","","","","","","Platinum(3+), tris(1,2-cyclohexanediamine-N,N')tri.mu.-h...","","C1CCC(C(C1)[NH-])[NH-].C1CCC(C(C1)[NH-])[NH-].C1CCC(C(C1)[NH-])[NH-].[N+](=O)(O)[O-].[OH-].[OH-].[OH-].[Pt+4].[Pt+4].[Pt+4]","CSMYPURHXYARQT-UHFFFAOYSA-K","54612219",NA,"PDBC51774","319972","Present"
-"Platinum(II),2-diammine)di(methanesulfonato)-","","","","","","","","","","","","","","","","","","","","Di(methanesulfonato)(1,2-diaminocyclohexane)platinum(II)","","CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1CCC(C(C1)N)N.[Pt+4]","MKRLPDJONNNJOK-UHFFFAOYSA-L","24197373",NA,"PDBC51775","263158","Present"
-"Platinum, N,N''-(1,9-nonanediyl)bis[diaminodichloro-, (S...","","","","","","","","","","","","","","","","","","","","Platinum, N,N''-(1,9-nonanediyl)bis[diaminodichloro-, (S...","","","","",NA,"PDBC51776","641465","Present"
-"Platinum, bis(1-aziridinyl)dichloro-","","","","","","","","","","","","","","","","","","","","Platinum, bis(aziridine)dichloro-","","C1C[N-]1.C1C[N-]1.Cl[Pt+2]Cl","DXSSDUSCEPVURD-UHFFFAOYSA-L","425134",NA,"PDBC51777","170896","Present"
-"Platinum, bis(2-amino-1,9-dihydro-6H-purine-6-thionato-N...","","","","","","","","","","","","","","","","","","","","Platinum, bis(2-amino-1,9-dihydro-6H-purine-6-thionato-N...","","","","",NA,"PDBC51778","276299","Present"
-"Platinum, dichloro(quinoline-N)[sulfinylbis(methane)-S]-...","","","","","","","","","","","","","","","","","","","","Platinum, dichloro(quinoline-N)[sulfinylbis(methane)-S]-...","","","","",NA,"PDBC51779","632790","Present"
-"Platinum, dichloro[(methylsulfinyl)phenyl-S](quinoline-N...","","","","","","","","","","","","","","","","","","","","Platinum, dichloro[(methylsulfinyl)phenyl-S](quinoline-N...","","","","",NA,"PDBC51780","632791","Present"
-"Platinum, dichloro[(phenylmethyl)methylsulfinyl]- 1-quin...","","","","","","","","","","","","","","","","","","","","Platinum, dichloro[(phenylmethyl)methylsulfinyl]- 1-quin...","","","","",NA,"PDBC51781","641052","Present"
-"Platinum, dichloro[dimethylsilylenebis(methanamine)]-, (...","","","","","","","","","","","","","","","","","","","","Platinum, dichloro[dimethylsilylenebis(methanamine)]-, (...","","","","",NA,"PDBC51782","603577","Present"
-"Platinum, tetrachloro[dimethylsilylenebis(methanamine)]-...","","","","","","","","","","","","","","","","","","","","Platinum, tetrachloro[dimethylsilylenebis(methanamine)]-...","","","","",NA,"PDBC51783","603578","Present"
-"Platinum,2-cyclohexanediamine-N,N')(propanedioato(2-)-O,O')-, (SP-4-2-(1R-trans))-","","","","","","","","","","","","","","","","","","","","Platinum, (1,2-cyclohexanediamine-N,N')(propanedioato(2-)-O,O')-, (SP-4-2-(1R-trans))- (9CI)","","C1CCC(C(C1)[NH-])[NH-].C(C(=O)[O-])C(=O)[O-].[Pt+4]","VRJXRHFBWYDIOS-BNTLRKBRSA-L","54607378",NA,"PDBC51784","266047","Present"
-"Platinum,2-cyclohexanediamine-N,N')(tetraoxoselenato(2-)-O)-, (SP-4-3)-","","","","","","","","","","","","","","","","","","","","Platinum, aqua(1,2-cyclohexanediamine-N,N')(tetraoxosele...","","C1CCC(C(C1)[NH-])[NH-].O.O[Se](=O)(=O)O.[Pt+2]","DMXMBTAHRTWRPM-UHFFFAOYSA-N","430708",NA,"PDBC51785","281279","Present"
-"Platinum,2-cyclohexanediamine-N,N')-, (OC-6-22)-","","","","","","","","","","","","","","","","","","","","NSC363811///TETRAPLATIN///NSC363813","","C1CCC(C(C1)[NH-])[NH-].Cl[Pt+2](Cl)(Cl)Cl","KVFQUEDZECDHKS-UHFFFAOYSA-J","430475",NA,"PDBC51786","363811///363812///363813","Present"
-"Platinum,2-cyclohexanediamine-N,N')bis (4-morpholinepropanesulfonato-O)-, (SP-4-2)","","","","","","","","","","","","","","","","","","","","Platinum, (1,2-cyclohexanediamine-N,N')bis (4-morpholine...","","C1CCC(C(C1)N)N.C1COCCN1CCCS(=O)(=O)[O-].C1COCCN1CCCS(=O)(=O)[O-].[Pt+4]","UVFZWEZFJMQERF-UHFFFAOYSA-L","24201983",NA,"PDBC51787","614887","Present"
-"Platinum,2-cyclohexanediamine-N,N')bis[3-[(1-oxo-2-propenyl)oxy]-1-propanesulfonato-O]-, (SP-4-2)","","","","","","","","","","","","","","","","","","","","Platinum, (1,2-cyclohexanediamine-N,N')bis[3-[(1-oxo- 2-...","","C=CC(=O)OCCCS(=O)(=O)[O-].C=CC(=O)OCCCS(=O)(=O)[O-].C1CCC(C(C1)N)N.[Pt+4]","NCEASBMSEPHBIF-UHFFFAOYSA-L","24201986",NA,"PDBC51788","614890","Present"
-"Platinum,N''-(1,6-hexanediyl)bis[diamino[2-ethyl-1,3-propanedioato(2-)-O,O']-, (SP-4-3,SP-4-3)","","","","","","","","","","","","","","","","","","","","Platinum, N,N''-(1,6-hexanediyl)bis[diamino[2-ethyl- 1,3...","","CCC(C(=O)[O-])C(=O)[O-].CCC(C(=O)[O-])C(=O)[O-].C(CCCN)CCN.N.N.[Pt+4].[Pt+4]","RWONMZAIYWZPDY-UHFFFAOYSA-J","24202351",NA,"PDBC51789","641458","Present"
-"Platyphylloside","","","","","","","","","","","","","","","","","","","","NSC784874","","C1=CC(=CC=C1CCC(CC(=O)CCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O","PVPDIJGSCANSAG-JSFAVJLPSA-N","9826264",NA,"PDBC51790","784874","Present"
-"Plerixafor","","","","","","","","","","","","","","","","","","","","NSC754363///NSC761388","","C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3","YIQPUIGJQJDJOS-UHFFFAOYSA-N","65015",NA,"PDBC51791","754363///761388","Present"
-"Plevitrexed","","","","","","","","","","","","","","","","","","","","1H-Tetrazole-5-butanoic acid, alpha.-[[4-[[(1,4-dihydro-...","","CC1=CC2=C(C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)NC(CCC4=NNN=N4)C(=O)O)F)C(=O)NC(=N2)C","IEJSCSAMMLUINT-NRFANRHFSA-N","135430970",NA,"PDBC51792","696259","Present"
-"Plicatic acid","","","","","","","","","","","","","","","","","","","","Plicatic acid","","COC1=CC(=CC(=C1O)O)C2C3=CC(=C(C=C3C(C(C2(C(=O)O)O)CO)O)OC)O","AEAWUUSSBHHSNE-UHFFFAOYSA-N","251620",NA,"PDBC51793","72234","Present"
-"Plocamene B","","","","","","","","","","","","","","","","","","","","Plocamene B","","CC1=C(CC(C(C1)(C)Cl)Cl)C=CCl","LAOVFJOKZZYETK-ONEGZZNKSA-N","5458653",NA,"PDBC51794","305224","Present"
-"Plumbagin","","","","","","","","","","","","","","","","","","","","plumbagin","","CC1=CC(=O)C2=C(C1=O)C=CC=C2O","VCMMXZQDRFWYSE-UHFFFAOYSA-N","10205",NA,"PDBC51795","236613","Present"
-"Plumbane, diphenylbis[[(phenylthio)acetyl]oxy]-","","","","","","","","","","","","","","","","","","","","Plumbane, diphenylbis[[(phenylthio)acetyl]oxy]-","","","","",NA,"PDBC51796","628687","Present"
-"Plumbane, triethyl[(2-quinolinylcarbonyl)oxy]-","","","","","","","","","","","","","","","","","","","","Plumbane, triethyl[(2-quinolinylcarbonyl)oxy]-","","CC[Pb](CC)(CC)OC(=O)C1=NC2=CC=CC=C2C=C1","AVVGBZHDYPDOIY-UHFFFAOYSA-M","16683346",NA,"PDBC51797","168604","Present"
-"Plumbane, triethyl[(methoxyacetyl)oxy]-","","","","","","","","","","","","","","","","","","","","Plumbane, triethyl[(methoxyacetyl)oxy]-","","CC[Pb](CC)(CC)OC(=O)COC","NCLBMGQBIQQJFY-UHFFFAOYSA-M","16683378",NA,"PDBC51798","173039","Present"
-"Plumbane, triethyl[(phenoxyacetyl)oxy]-","","","","","","","","","","","","","","","","","","","","Plumbane, triethyl[(phenoxyacetyl)oxy]-","","CC[Pb](CC)(CC)OC(=O)COC1=CC=CC=C1","ARHFPUHNSUAWQK-UHFFFAOYSA-M","16683373",NA,"PDBC51799","173030","Present"
-"Plumbane, tripropyl[(trifluoroacetyl)oxy]-","","","","","","","","","","","","","","","","","","","","Plumbane, tripropyl[(trifluoroacetyl)oxy]-","","CCC[Pb](CCC)(CCC)OC(=O)C(F)(F)F","YUJDDCSEPYWVPK-UHFFFAOYSA-M","16683380",NA,"PDBC51800","173043","Present"
-"Plumericin","","","","","","","","","","","","","","","","","","","","Plumericin","","CC=C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O","VFXXNAVZODKBIW-JKXVGBJFSA-N","5281545",NA,"PDBC51801","112152","Present"
-"Pluramycin A","","","","","","","","","","","","","","","","","","","","Pluramycin A","","CC=CC1C(O1)(C)C2=CC(=O)C3=C(O2)C4=C(C=C3C)C(=O)C5=C(C4=O)C(=C(C=C5C6CC(C(C(O6)C)O)N(C)C)C7CC(C(C(O7)C)OC(=O)C)(C)N(C)C)O","BQCHGWYGWQEMTJ-SEYXRHQNSA-N","54611921",NA,"PDBC51802","21205","Present"
-"Plx8394","","","","","","","","","","","","","","","","","","","","NSC797932///NSC801007","","C1CC1C2=NC=C(C=N2)C3=CC4=C(NC=C4C(=O)C5=C(C=CC(=C5F)NS(=O)(=O)N6CCC(C6)F)F)N=C3","YYACLQUDUDXAPA-MRXNPFEDSA-N","90116675",NA,"PDBC51803","797932///801007","Present"
-"Podophyllin","","","","","","","","","","","","","","","","","","","","Podophyllin","","","","",NA,"PDBC51804","36390","Present"
-"Podophyllol","","","","","","","","","","","","","","","","","","","","Naphtho[2,3-d]-1,3-dioxole-6,7-dimethanol, 5,6,7,8-tetra...","","COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)CO","HNOIIHCYJKCZRK-UHFFFAOYSA-N","235235",NA,"PDBC51805","36373","Present"
-"Podophyllotoxin isothiuronium bromide","","","","","","","","","","","","","","","","","","","","Podophyllotoxin isothiuronium bromide","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)SC(=N)N.Br","XMOVEDYTRVNUIA-REMOXFKFSA-N","54602203",NA,"PDBC51806","35479","Present"
-"Podophyllotoxin o-benzylidene-beta-D-glucopyranoside","","","","","","","","","","","","","","","","","","","","sp g","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CC=C8)O)O","SBPPWJIDARICBS-QKFAOQDPSA-N","237979",NA,"PDBC51807","42076","Present"
-"Polacandrin","","","","","","","","","","","","","","","","","","","","Polacandrin","","CC1(C2CCC3(C(C2(C(CC1O)O)C)CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)C","ZDMWPLUKUXQVLI-BIFUZHIISA-N","6711995",NA,"PDBC51808","650885","Present"
-"Poly[1H-indole-3,1-diyl(diethylstannylene)oxy(1-oxo-1,2-...","","","","","","","","","","","","","","","","","","","","Poly[1H-indole-3,1-diyl(diethylstannylene)oxy(1-oxo-1,2-...","","","","",NA,"PDBC51809","356232","Present"
-"Polycarpine hydrochloride","","","","","","","","","","","","","","","","","","","","Disulfide, bis[2-amino-4-(4-methoxyphenyl)-1-methyl- 1H-...","","CN1C(=C(N=C1N)C2=CC=C(C=C2)OC)SSC3=C(N=C(N3C)N)C4=CC=C(C=C4)OC.Cl","RCGKFYXICZRWQU-UHFFFAOYSA-N","367621",NA,"PDBC51810","637467","Present"
-"Polycarpol","","","","","","","","","","","","","","","","","","","","Polycarpol","","CC(CCC=C(C)C)C1CC(C2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C)O","CCFQLQIYEHITNK-DDZDZEIKSA-N","367561",NA,"PDBC51811","637387","Present"
-"Polyethylene Glycol L-Asparaginase","","","","","","","","","","","","","","","","","","","","Polyethylene Glycol L-Asparaginase","","","","",NA,"PDBC51812","624239","Present"
-"Polygodial","","","","","","","","","","","","","","","","","","","","tadeodal","","CC1(CCCC2(C1CC=C(C2C=O)C=O)C)C","AZJUJOFIHHNCSV-KCQAQPDRSA-N","72503",NA,"PDBC51813","372407","Present"
-"Polymer containing stable free verdazyl radicals- polyel...","","","","","","","","","","","","","","","","","","","","Polymer containing stable free verdazyl radicals- polyel...","","","","",NA,"PDBC51814","636597","Present"
-"Polyoxomolybdate phosphate complex, disodium salt","","","","","","","","","","","","","","","","","","","","Polyoxomolybdate phosphate complex, disodium salt","","","","",NA,"PDBC51815","622116","Present"
-"Polyozellin","","","","","","","","","","","","","","","","","","","","Polyozellin","","CC(=O)OC1=C2C(=C(C3=C1C4=CC(=C(C=C4O3)O)O)OC(=O)C)C5=CC(=C(C=C5O2)O)O","CCNILPFRYYKQOP-UHFFFAOYSA-N","382514",NA,"PDBC51816","670123","Present"
-"Polyphyllin B","","","","","","","","","","","","","","","","","","","","DIOSGENIN TETRAGLYCOSIDE","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1","OZIHYFWYFUSXIS-UHFFFAOYSA-N","328441",NA,"PDBC51817","306864","Present"
-"Polypodine A, mixt. with Polypodine B","","","","","","","","","","","","","","","","","","","","Polypodine A, mixt. with Polypodine B","","CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O.CC12CCC3C(=CC(=O)C4(C3(CC(C(C4)O)O)C)O)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O","CELUVIMMLFWQDP-UHFFFAOYSA-N","271603",NA,"PDBC51818","115493","Present"
-"Pomiferin","","","","","","","","","","","","","","","","","","","","POMIFERIN","","CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C","GHCZYXUOYFOXIP-UHFFFAOYSA-N","4871",NA,"PDBC51819","5113","Present"
-"Pomolic acid","","","","","","","","","","","","","","","","","","","","Pomolic acid","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1(C)O)C)C(=O)O","ZZTYPLSBNNGEIS-OPAXANQDSA-N","382831",NA,"PDBC51820","670661","Present"
-"Ponceau 2R","","","","","","","","","","","","","","","","","","","","red r","","CC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)C.[Na+]","CIIPCMLSSIQDNT-UHFFFAOYSA-N","135436538",NA,"PDBC51821","10458","Present"
-"Ponceau BS","","","","","","","","","","","","","","","","","","","","red hm","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)O","BYABGQJPCPYPSZ-UHFFFAOYSA-N","20171",NA,"PDBC51822","79710","Present"
-"Ponticin","","","","","","","","","","","","","","","","","","","","ponticin","","COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O","GKAJCVFOJGXVIA-NSCUHMNNSA-N","5351164",NA,"PDBC51823","43321","Present"
-"Popop","","","","","","","","","","","","","","","","","","","","popop","","C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5","MASVCBBIUQRUKL-UHFFFAOYSA-N","15732",NA,"PDBC51824","24859","Present"
-"Porfiromycine","","","","","","","","","","","","","","","","","","","","PORFIROMYCIN","","CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C)N","HRHKSTOGXBBQCB-UHFFFAOYSA-N","244989",NA,"PDBC51825","56410","Present"
-"Poricoic acid A","","","","","","","","","","","","","","","","","","","","poricoic acid a","","CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O","KVAQLXUMUVEKGR-SMFZDKLCSA-N","5471851",NA,"PDBC51826","715080","Present"
-"Poricoic acid G","","","","","","","","","","","","","","","","","","","","16.alpha.-Hydroxy-3,4-secolanosta-4(28),8,24-triene-3,21...","","CC(=CCCC(C1C(CC2(C1(CCC3=C2CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O)C","VPTZOSBKEDUOFE-KXGBKNTBSA-N","5471966",NA,"PDBC51827","715639","Present"
-"Portamycin","","","","","","","","","","","","","","","","","","","","free acid","","CC1C2C=CC3(CO3)C(O2)(OC1C(C)C=C(C)C=CC(=C4C(=O)C(N(C4=O)C5CCC(C(O5)C)O)C(C)C(=O)NC)O)C","KVTPRMVXYZKLIG-UGUDKILOSA-N","54690173",NA,"PDBC51828","3360","Present"
-"Portulal","","","","","","","","","","","","","","","","","","","","Portulal","","CC1CC2(CC(=CCCC2C1(CCC(=CCO)CO)CO)C)C=O","XNVGNPVDYXWYIA-IDUWFGFVSA-N","5387650",NA,"PDBC51829","625549","Present"
-"Potassium acid saccharate","","","","","","","","","","","","","","","","","","","","potassium bisaccharate","","C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O.[K+]","UBYZGUWQNIEQMH-UHFFFAOYSA-N","54606561",NA,"PDBC51830","130975","Present"
-"Potassium nonafluorobutane-1-sulfonic acid","","","","","","","","","","","","","","","","","","","","CS-B0900","","C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F.[K+]","LVTHXRLARFLXNR-UHFFFAOYSA-N","21951232",NA,"PDBC51831","620572","Present"
-"Potassium;1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","Potassium;1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid","","C1(=NNC(=NN1)C(=O)O)C(=O)O.[K+]","YJCLTUCYSLCPCX-UHFFFAOYSA-N","54604520",NA,"PDBC51832","306834","Present"
-"Potassium;1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione","","","","","","","","","","","","","","","","","","","","NSC667846","","C1=CC=C2C(=C1)N=C3C(=N2)NC(=O)C(=O)N3.[K+]","NHFNVINVKPCLCA-UHFFFAOYSA-N","54604797",NA,"PDBC51833","667846","Present"
-"Potassium;1-(2-dithiocarboxyoxyphenyl)-N-(2-methoxyphenyl)methanimine oxide","","","","","","","","","","","","","","","","","","","","Potassium;1-(2-dithiocarboxyoxyphenyl)-N-(2-methoxyphenyl)methanimine oxide","","COC1=CC=CC=C1[N+](=CC2=CC=CC=C2OC(=S)S)[O-].[K+]","JQAAFPKZUQLPMH-HYMQDMCPSA-N","54611814",NA,"PDBC51834","715116","Present"
-"Potassium;1-(2-dithiocarboxyoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide","","","","","","","","","","","","","","","","","","","","Potassium;1-(2-dithiocarboxyoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide","","COC1=CC=C(C=C1)[N+](=CC2=CC=CC=C2OC(=S)S)[O-].[K+]","AOUCEPJPAVAHCS-HYMQDMCPSA-N","54611815",NA,"PDBC51835","715117","Present"
-"Potassium;1-(4-dithiocarboxyoxy-3-methoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide","","","","","","","","","","","","","","","","","","","","Potassium;1-(4-dithiocarboxyoxy-3-methoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide","","COC1=CC=C(C=C1)[N+](=CC2=CC(=C(C=C2)OC(=S)S)OC)[O-].[K+]","YNVJACCIVSGEQC-HVHKRRFMSA-N","54611677",NA,"PDBC51836","717875","Present"
-"Potassium;2-(2-carboxy-3-phenylpropyl)benzoic acid","","","","","","","","","","","","","","","","","","","","NSC676994","","C1=CC=C(C=C1)CC(CC2=CC=CC=C2C(=O)O)C(=O)O.[K+]","IZDJMSQNLUACLS-UHFFFAOYSA-N","54608732",NA,"PDBC51837","676994","Present"
-"Potassium;2-amino-1,7-dihydropurin-6-one","","","","","","","","","","","","","","","","","","","","Potassium;2-amino-1,7-dihydropurin-6-one","","C1=NC2=C(N1)C(=O)NC(=N2)N.[K+]","FPCNMZZENGDNEQ-UHFFFAOYSA-N","135510132",NA,"PDBC51838","637537","Present"
-"Potassium;3-hydroxy-4-sulfonaphthalene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","NSC40596","","C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)O)C(=O)O.[K+]","UXBAXCJXTBXSCG-UHFFFAOYSA-N","54599618",NA,"PDBC51839","40596","Present"
-"Potassium;3-methoxy-4-sulfooxybenzoic acid","","","","","","","","","","","","","","","","","","","","NSC670827","","COC1=C(C=CC(=C1)C(=O)O)OS(=O)(=O)O.[K+]","RRIOEJNORGVCMH-UHFFFAOYSA-N","54611285",NA,"PDBC51840","670827","Present"
-"Potassium;4-[(E)-[(5E)-5-[(4-carboxyphenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","Potassium;4-[(E)-[(5E)-5-[(4-carboxyphenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]benzoic acid","","CN1CC(=CC2=CC=C(C=C2)C(=O)O)C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C1.[K+]","BJVCNOHZGFLACE-XGMIBILOSA-N","54602248",NA,"PDBC51841","621886","Present"
-"Potassium;4-[(E)-[(5E)-5-[(4-carboxyphenyl)methylidene]-4-oxopiperidin-3-ylidene]methyl]benzoic acid","","","","","","","","","","","","","","","","","","","","Potassium;4-[(E)-[(5E)-5-[(4-carboxyphenyl)methylidene]-4-oxopiperidin-3-ylidene]methyl]benzoic acid","","C1C(=CC2=CC=C(C=C2)C(=O)O)C(=O)C(=CC3=CC=C(C=C3)C(=O)O)CN1.[K+]","WMBQHOOCDBPSRY-MQMNHWTGSA-N","54608039",NA,"PDBC51842","618769","Present"
-"Potassium;N-(2-chlorophenyl)-1-(4-dithiocarboxyoxy-3-methoxyphenyl)methanimine oxide","","","","","","","","","","","","","","","","","","","","Potassium;N-(2-chlorophenyl)-1-(4-dithiocarboxyoxy-3-methoxyphenyl)methanimine oxide","","COC1=C(C=CC(=C1)C=[N+](C2=CC=CC=C2Cl)[O-])OC(=S)S.[K+]","RAJBFVHNPHHZMX-WPTDRQDKSA-N","54611676",NA,"PDBC51843","717874","Present"
-"Potassium;N-(4-chlorophenyl)-1-(2-dithiocarboxyoxyphenyl)methanimine oxide","","","","","","","","","","","","","","","","","","","","Potassium;N-(4-chlorophenyl)-1-(2-dithiocarboxyoxyphenyl)methanimine oxide","","C1=CC=C(C(=C1)C=[N+](C2=CC=C(C=C2)Cl)[O-])OC(=S)S.[K+]","CAJJGJRKEFTIMZ-LFMIJCLESA-N","54611817",NA,"PDBC51844","715119","Present"
-"Potassium;N-(4-tert-butylpyridin-2-yl)-3-(4-tert-butylpyridin-2-yl)iminoisoindol-1-amine","","","","","","","","","","","","","","","","","","","","Potassium;N-(4-tert-butylpyridin-2-yl)-3-(4-tert-butylpyridin-2-yl)iminoisoindol-1-amine","","CC(C)(C)C1=CC(=NC=C1)NC2=NC(=NC3=NC=CC(=C3)C(C)(C)C)C4=CC=CC=C42.[K+]","XFELPGZFYKFLQF-UHFFFAOYSA-N","54608038",NA,"PDBC51845","618623","Present"
-"Potassium;arsenous acid","","","","","","","","","","","","","","","","","","","","Potassium arsenite","","O[As]=O.[K+]","HEQWEGCSZXMIJQ-UHFFFAOYSA-N","54611691",NA,"PDBC51846","3060","Present"
-"Potassium;cobalt(3+);ethane-1,2-diamine;dicarbonate","","","","","","","","","","","","","","","","","","","","Potassiumdicarbonatoethylenediaminecobalte(III)///Potassiumethylenediaminedicarbonatocobaltate(III)","","C(CN)N.C(=O)([O-])[O-].C(=O)([O-])[O-].[K+].[Co+3]","VIPCMKCXIYKPGK-UHFFFAOYSA-J","24202180",NA,"PDBC51847","631465///631466","Present"
-"Potassium;cobalt(3+);ethane-1,2-diamine;oxalate","","","","","","","","","","","","","","","","","","","","Potassiumethylenediaminedioxalatocobaltate(III)","","C(CN)N.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[K+].[Co+3]","RSWSPHODDDPTMA-UHFFFAOYSA-J","24202172",NA,"PDBC51848","631453","Present"
-"Potassium;cobalt(3+);ethane-1,2-diamine;tetranitrite","","","","","","","","","","","","","","","","","","","","Potassiumethylenediaminetetranitritocobaltate(III)","","C(CN)N.N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[K+].[Co+3]","SWGMQBKZVPPDDM-UHFFFAOYSA-J","24202178",NA,"PDBC51849","631462","Present"
-"Potassium;oxirane-2,3-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","NSC43234","","C1(C(O1)C(=O)O)C(=O)O.[K+]","QIEFBNVGUPXLFW-UHFFFAOYSA-N","54602446",NA,"PDBC51850","43234","Present"
-"Potassium;tridecylboronic acid","","","","","","","","","","","","","","","","","","","","Potassium;tridecylboronic acid","","B(CCCCCCCCCCCCC)(O)O.[K+]","BYYFQJBVRGPAPV-UHFFFAOYSA-N","54608575",NA,"PDBC51851","639423","Present"
-"Potassiumdimalonatopalladate(VI)","","","","","","","","","","","","","","","","","","","","Potassiumdimalonatopalladate(VI)","","C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].[K+].[Pd+2]","IITYLNCTIYMHBW-UHFFFAOYSA-J","364986",NA,"PDBC51852","631889","Present"
-"Pralsetinib","","","","","","","","","","","","","","","","","","","","BLU-667","","CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)NC(C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC","GBLBJPZSROAGMF-SIYOEGHHSA-N","129073603",NA,"PDBC51853","811429","Present"
-"Pramipexole","","","","","","","","","","","","","","","","","","","Pramipexole","","","CCCNC1CCC2=C(C1)SC(=N2)N","FASDKYOPVNHBLU-ZETCQYMHSA-N","119570",NA,"PDBC51854","","Absent"
-"Pravachol","","","","","","","","","","","","","","","","","","","","O263","","CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)O","TUZYXOIXSAXUGO-PZAWKZKUSA-M","24849132",NA,"PDBC51855","779707","Present"
-"Predorine","","","","","","","","","","","","","","","","","","","","Predorine","","CC12CC(=O)C3C(C1CCC2(C(=O)COC(=O)CSC4=C5C=CC(=CC5=NC6=C4C=CC(=C6)N(C)C)N(C)C)O)CCC7=CC(=O)C=CC37C","JYRZNFYQWHJSJA-XFETZTPGSA-N","333830",NA,"PDBC51856","337851","Present"
-"Prepyridomacrolidine A","","","","","","","","","","","","","","","","","","","","Prepyridomacrolidine A","","CCC(C)C=C(C)C=CC(=O)C1=C(C(=CN(C1=O)OC2CC(=O)CCC(OC(=O)CC2O)C)C3=CC=C(C=C3)O)O","IUAXYRZOSAKXHF-YGVVMLNDSA-N","60148209",NA,"PDBC51857","753975","Present"
-"Presenegenin, dimethyl ester","","","","","","","","","","","","","","","","","","","","Presenegenin, dimethyl ester","","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)OC)O)O)C)C)C2C1)CO)C(=O)OC)C","DZBMROWWXVEOHY-UHFFFAOYSA-N","276547",NA,"PDBC51858","124669","Present"
-"Presqualene alcohol","","","","","","","","","","","","","","","","","","","","Presqualene alcohol","","CC(=CCCC(=CCCC(=CC1C(C1(C)CCC=C(C)CCC=C(C)C)CO)C)C)C","XLTBFLSFXLLDAZ-VVFNRDJMSA-N","5471965",NA,"PDBC51859","715638","Present"
-"Pretazettine, hydrochloride","","","","","","","","","","","","","","","","","","","","Pretazettine hydrochloride","","CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(O2)O)OCO5.Cl","YHHPTRFYYPGNIO-UHFFFAOYSA-N","53461793",NA,"PDBC51860","109808","Present"
-"Pretenellin B","","","","","","","","","","","","","","","","","","","","Pretenellin B","","CCC(C)C=C(C)C=CC(=O)C1=C(C(=CNC1=O)C2=CC=C(C=C2)O)O","RUYOCRHCIKMVOH-QDPFKYGGSA-N","91819831",NA,"PDBC51861","754581","Present"
-"Pretubulysin","","","","","","","","","","","","","","","","","","","","NSC790139","","CCC(C)C(C(=O)N(C)C(CCC1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)C(C)C)NC(=O)C3CCCCN3C","IUQKJKPHUBJDJV-UMNBWOBWSA-N","44195319",NA,"PDBC51862","790139","Present"
-"Prieurianin","","","","","","","","","","","","","","","","","","","","PRIEURIANIN FROM GUAREA TRICHILIOIDES","","CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2=O)C3=COC=C3)C)O)C4(C(CC(=O)OC(C4CC(=O)OC)(C)COC(=O)C)OC(=O)C)C)OC=O)O","LRLMYQFHTXHFRH-UHFFFAOYSA-N","329486",NA,"PDBC51863","312621","Present"
-"Pristimerin","","","","","","","","","","","","","","","","","","","","Pristimerin","","CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O","JFACETXYABVHFD-ZAZHENERSA-N","86280086",NA,"PDBC51864","791208","Present"
-"Prmt5-IN-2","","","","","","","","","","","","","","","","","","","","PF-06855800","","C1=CC(=C(C=C1C(C2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)O)O)F)Cl","GTCYWLXMJRCJNE-QFRSUPTLSA-N","122497021",NA,"PDBC51865","809252","Present"
-"Proanthocyanidin B2","","","","","","","","","","","","","","","","","","","","2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7...","","C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O","XFZJEEAOWLFHDH-UHFFFAOYSA-N","130556",NA,"PDBC51866","143099","Present"
-"Probes1_000079","","","","","","","","","","","","","","","","","","","","Probes1_000079","","C1=C2C3C(C4C(C2=CC(=C1C(=O)O)S(=O)(=O)O)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl","QCIIYEDWVXHYTF-UHFFFAOYSA-N","430297",NA,"PDBC51867","270718","Present"
-"Probes1_000353","","","","","","","","","","","","","","","","","","","","Probes1_000353","","C1C(=O)N(C(=S)S1)N=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]","UMJYWCAHEYFAMO-UUILKARUSA-N","5771619",NA,"PDBC51868","124808","Present"
-"Probes1_000354","","","","","","","","","","","","","","","","","","","","Probes1_000354","","CN1C(=CC=C1SC2=CC=C(N2C)C3=CN=CC=C3)C4=CN=CC=C4","KJMDINXKZZGZAN-UHFFFAOYSA-N","224958",NA,"PDBC51869","13831","Present"
-"Probes1_000359","","","","","","","","","","","","","","","","","","","","Probes1_000359","","C1CCC(CC1)N(CC2=CC(=C(C(=C2)Cl)O)Cl)CC3=CC(=C(C(=C3)Cl)O)Cl","LKJZEILBCMUOMY-UHFFFAOYSA-N","241476",NA,"PDBC51870","48874","Present"
-"Prochlorperazine edisylate","","","","","","","","","","","","","","","","","","","","Prochlorperazine Edisylate///NSC757299","","CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(CS(=O)(=O)O)S(=O)(=O)O","SWOUGRBFXFILIB-UHFFFAOYSA-N","91499",NA,"PDBC51871","665801///757299","Present"
-"Procodazole","","","","","","","","","","","","","","","","","","","","2-benzimidazolepropionic acid","","C1=CC=C2C(=C1)NC(=N2)CCC(=O)O","XYWJNTOURDMTPI-UHFFFAOYSA-N","65708",NA,"PDBC51872","35790","Present"
-"Prodelphiniline","","","","","","","","","","","","","","","","","","","","Prodelphinidine","","C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C(=C6)O)O)O","MNKQAVLCMUQMSD-UHFFFAOYSA-N","285704",NA,"PDBC51873","143101","Present"
-"Prodigiosin","","","","","","","","","","","","","","","","","","","","Prodigiosin","","CCCCCC1=C(NC(=C1)C=C2C(=CC(=N2)C3=CC=CN3)OC)C","SHUNBVWMKSXXOM-XDHOZWIPSA-N","135408511",NA,"PDBC51874","47147","Present"
-"Prodigiosine methyl ketone","","","","","","","","","","","","","","","","","","","","Prodigiosine methyl ketone","","CC1=C(NC(=C1C(=O)C)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","AGGXTYGBDMCRDL-SQIOZQJDSA-N","135540840",NA,"PDBC51875","742413","Present"
-"Prodolic acid","","","","","","","","","","","","","","","","","","","","prodolic acid(usan)","","CCCC1(C2=C(CCO1)C3=CC=CC=C3N2)CC(=O)O","IZGMROSLQHXRDZ-UHFFFAOYSA-N","37462",NA,"PDBC51876","299133","Present"
-"Prolinamide, 5-oxoprolylalanyl-","","","","","","","","","","","","","","","","","","","","Prolinamide, 5-oxoprolylalanyl-","","CC(C(=O)N1CCCC1C(=O)N)NC(=O)C2CCC(=O)N2","RBDJKEOQHJJERX-UHFFFAOYSA-N","381831",NA,"PDBC51877","668904","Present"
-"Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]histidyl-","","","","","","","","","","","","","","","","","","","","Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]histidyl-","","CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)N","XUQAGEFQGZGTOD-UHFFFAOYSA-N","381635",NA,"PDBC51878","668457","Present"
-"Proline, 1-[(3,4-dimethoxyphenyl)phenylmethyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[(3,4-dimethoxyphenyl)phenylmethyl]-5-oxo-","","COC1=C(C=C(C=C1)C(C2=CC=CC=C2)N3C(CCC3=O)C(=O)O)OC","AAAGUOJHUURVQP-UHFFFAOYSA-N","384212",NA,"PDBC51879","673617","Present"
-"Proline, 1-[(4-methoxyphenyl)(3,4,5-trimethoxyphenyl)methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","1-(3,4,4',5-Tetramethoxybenzhydryl)-5-oxopyrrolidine-2-carboxylic acid","","COC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C(CCC3=O)C(=O)O","KUFJVCRFANWHDT-UHFFFAOYSA-N","384210",NA,"PDBC51880","673615","Present"
-"Proline, 1-[1,3-benzodioxol-5-yl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[1,3-benzodioxol-5-yl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-","","COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)N4C(CCC4=O)C(=O)O","WCESIUPIBSZELE-UHFFFAOYSA-N","384209",NA,"PDBC51881","673614","Present"
-"Proline, 1-[1,3-benzodioxol-5-yl(4-methoxyphenyl)methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[1,3-benzodioxol-5-yl(4-methoxyphenyl)methyl]-5-oxo-","","COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4C(CCC4=O)C(=O)O","YETYHCXNYZFWAD-UHFFFAOYSA-N","384214",NA,"PDBC51882","673619","Present"
-"Proline, 1-[1-naphthalenyl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[1-naphthalenyl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-","","COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC3=CC=CC=C32)N4C(CCC4=O)C(=O)O","AMDKQPGEPSRORG-UHFFFAOYSA-N","463774",NA,"PDBC51883","695845","Present"
-"Proline, 1-[[acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[[acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxo-","","CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=C(C=CC(=C2)OC)OC","ADALWYCTEFMIQB-UHFFFAOYSA-N","389179",NA,"PDBC51884","684863","Present"
-"Proline, 1-[[acetyl(2-chlorophenyl)amino]methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[[acetyl(2-chlorophenyl)amino]methyl]-5-oxo-","","CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC=CC=C2Cl","WQKWFRNHAVWMJF-UHFFFAOYSA-N","389178",NA,"PDBC51885","684862","Present"
-"Proline, 1-[[acetyl(3-hydroxyphenyl)amino]methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[[acetyl(3-hydroxyphenyl)amino]methyl]-5-oxo-","","CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC(=CC=C2)O","KXTBHBYYWXWIGE-UHFFFAOYSA-N","389177",NA,"PDBC51886","684861","Present"
-"Proline, 1-[[acetyl(3-methoxyphenyl)amino]methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[[acetyl(3-methoxyphenyl)amino]methyl]-5-oxo-","","CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC(=CC=C2)OC","ZMSCSTHTZZNNLP-UHFFFAOYSA-N","389174",NA,"PDBC51887","684858","Present"
-"Proline, 1-[[acetyl(4-methoxyphenyl)amino]methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[[acetyl(4-methoxyphenyl)amino]methyl]-5-oxo-","","CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC=C(C=C2)OC","GOVRLRGPOPNZQN-UHFFFAOYSA-N","389175",NA,"PDBC51888","684859","Present"
-"Proline, 1-[[acetyl(4-methylphenyl)amino]methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[[acetyl(4-methylphenyl)amino]methyl]-5-oxo-","","CC1=CC=C(C=C1)N(CN2C(CCC2=O)C(=O)O)C(=O)C","UNJCNMHGYJVWCT-UHFFFAOYSA-N","389176",NA,"PDBC51889","684860","Present"
-"Proline, 1-[bis(3,4,5-trimethoxyphenyl)methyl]-5-oxo-","","","","","","","","","","","","","","","","","","","","Proline, 1-[bis(3,4,5-trimethoxyphenyl)methyl]-5-oxo-","","COC1=CC(=CC(=C1OC)OC)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C(CCC3=O)C(=O)O","ROGSCYHMBANZDZ-UHFFFAOYSA-N","393635",NA,"PDBC51890","695843","Present"
-"Promethazine hydrochloride","","","","","","","","","","","","","","","","","","","","Promethazine Hydrochloride","","CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl","XXPDBLUZJRXNNZ-UHFFFAOYSA-N","6014",NA,"PDBC51891","231688","Present"
-"Promoline","","","","","","","","","","","","","","","","","","","","Aromoline","","CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC","LFFQVHXIFJLJSP-IZLXSDGUSA-N","362574",NA,"PDBC51892","93674","Present"
-"Pronuciferine","","","","","","","","","","","","","","","","","","","","Pronuciferine","","CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC","WUYQEGNOQLRQAQ-CQSZACIVSA-N","200480",NA,"PDBC51893","628007","Present"
-"Prop-2-enyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate","","","","","","","","","","","","","","","","","","","","Prop-2-enyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate","","CCCCCCCCCC1CC2CCC3N2C(=N1)NC(=C3C(=O)OCC=C)C","WQHZPLMEEVEBOO-LFPSWIHMSA-N","401694",NA,"PDBC51894","715424","Present"
-"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-17-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate","","","","","","","","","","","","","","","","","","","","Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-17-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-car","","CC1CC(C2(C#CC=CC#CC3C14C2(O4)C5=C(N3C(=O)OCC=C)C=CC(=C5)O[Si](C)(C)C(C)(C)C)O)(OC)OC","ZDVISHDJBPHPMI-UUHJKSRFSA-N","11103814",NA,"PDBC51895","668914","Present"
-"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-2-methyl-4-oxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate","","","","","","","","","","","","","","","","","","","","Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-2-methyl-4-oxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate","","CC1CC(=O)C2(C#CC=CC#CC3C14C2(O4)C5=C(N3C(=O)OCC=C)C=CC(=C5)O)O","UAAMEOYPINWBRY-KFOFRCPYSA-N","54600914",NA,"PDBC51896","668916","Present"
-"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate","","","","","","","","","","","","","","","","","","","","Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate","","CC1CC(C2(C#CC=CC#CC3C14C2(O4)C5=C(N3C(=O)OCC=C)C=CC(=C5)O)O)(OC)OC","PFDTZBDRFUFROC-XBWWFJOOSA-N","54608202",NA,"PDBC51897","668915","Present"
-"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5-hydroxy-14-methoxy-2-methyl-4,17-dioxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,15,18-trien-6,10-diyne-13-carboxylate","","","","","","","","","","","","","","","","","","","","Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5-hydroxy-14-methoxy-2-methyl-4,17-dioxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,15,18-trien-6,10-diyne-13-carboxylate","","CC1CC(=O)C2(C#CC=CC#CC3C14C2(O4)C5=CC(=O)C=CC5(N3C(=O)OCC=C)OC)O","ZDRFLSYEIRVDEX-NPNZLGMKSA-N","54608203",NA,"PDBC51898","668917","Present"
-"Prop-2-enyl (4aS,7S)-1-amino-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-(2-hydroxyethyl)-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Prop-2-enyl (4aS,7S)-1-amino-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-(2-hydroxyethyl)-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate;hydrochloride","","CC(CCCC1=C(C2CCC(N2C(=N1)N)CCO)C(=O)OCC=C)O[Si](C)(C)C(C)(C)C.Cl","SAFPNWKHPCEVRI-GWCBTUNRSA-N","5470388",NA,"PDBC51899","700561","Present"
-"Prop-2-enyl 1-(2,2-dichloroacetyl)-5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Prop-2-enyl 1-(2,2-dichloroacetyl)-5-oxopyrrolidine-2-carboxylate","","C=CCOC(=O)C1CCC(=O)N1C(=O)C(Cl)Cl","GOMTXFLKUUWSLL-UHFFFAOYSA-N","367287",NA,"PDBC51900","636835","Present"
-"Prop-2-enyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate","","","","","","","","","","","","","","","","","","","","Prop-2-enyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCC=C","MPFZCKDAKDLQAA-UHFFFAOYSA-N","404276",NA,"PDBC51901","720459","Present"
-"Prop-2-enyl[3,4,4-trichloro-2-nitro-1-(prop-2-enylamino)buta-1,3-dienyl]amine","","","","","","","","","","","","","","","","","","","","Prop-2-enyl[3,4,4-trichloro-2-nitro-1-(prop-2-enylamino)buta-1,3-dienyl]amine","","C=CCNC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NCC=C","SUUBWJAHWADVLH-UHFFFAOYSA-N","394693",NA,"PDBC51902","698361","Present"
-"Prop-2-ynyl 2-amino-3-hydroxybutanoate","","","","","","","","","","","","","","","","","","","","Prop-2-ynyl 2-amino-3-hydroxy-butanoate","","CC(C(C(=O)OCC#C)N)O","SOGKISKKYNQUEP-UHFFFAOYSA-N","388710",NA,"PDBC51903","683772","Present"
-"Prop-2-ynyl 2-amino-3-sulfanylpropanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","Prop-2-ynyl 2-amino-3-sulfanyl-propanoate hydrochloride","","C#CCOC(=O)C(CS)N.Cl","LWLMPHPLXHNUJD-UHFFFAOYSA-N","388711",NA,"PDBC51904","683773","Present"
-"Prop-2-ynyl 2-amino-4-methylsulfanylbutanoate","","","","","","","","","","","","","","","","","","","","Prop-2-ynyl 2-amino-4-methylsulfanyl-butanoate","","CSCCC(C(=O)OCC#C)N","CJOWINBUPYLRHY-UHFFFAOYSA-N","388709",NA,"PDBC51905","683771","Present"
-"Prop-2-ynyl 2-amino-5-(diaminomethylideneamino)pentanoate","","","","","","","","","","","","","","","","","","","","Prop-2-ynyl 2-amino-5-(diaminomethylideneamino)pentanoate","","C#CCOC(=O)C(CCCN=C(N)N)N","DJMMUGPAPFFJQC-UHFFFAOYSA-N","387278",NA,"PDBC51906","680929","Present"
-"Prop-2-ynyl 2-diazo-5-methyl-3-oxo-hexanoate","","","","","","","","","","","","","","","","","","","","2-Diazonio-5-methyl-3-oxo-1-(prop-2-yn-1-yloxy)hex-1-en-1-olate","","CC(C)CC(=O)C(=[N+]=[N-])C(=O)OCC#C","IHZSLVDHUVJLRM-UHFFFAOYSA-N","379178",NA,"PDBC51907","663588","Present"
-"Propan-2-one;rhodium(2+);2,2,2-trifluoroacetate","","","","","","","","","","","","","","","","","","","","NSC654728","","CC(=O)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Rh+2].[Rh+2]","ZWMFURBJRNJRFT-UHFFFAOYSA-J","375257",NA,"PDBC51908","654728","Present"
-"Propan-2-yl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate","","","","","","","","","","","","","","","","","","","","Propan-2-yl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate","","CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3C(=O)OC(C)C)CC5=CC=CC=C5)C(=C1OC)OC)OC","MRHOATBYANZPIH-JHYXWMTNSA-N","6330788",NA,"PDBC51909","622074","Present"
-"Propan-2-yl (1R,9S,12E)-3,4,6-trimethoxy-11-[(4-methoxyphenyl)methyl]-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate","","","","","","","","","","","","","","","","","","","","Propan-2-yl (1R,9S,12E)-3,4,6-trimethoxy-11-[(4-methoxyphenyl)methyl]-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carbox","","CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3C(=O)OC(C)C)CC5=CC=C(C=C5)OC)C(=C1OC)OC)OC","BERPBCSSMLNYMX-PBOVWJFESA-N","6330789",NA,"PDBC51910","622075","Present"
-"Propan-2-yl (2S,3S)-3-[5-[dimethyl(phenyl)silyl]-2H-oxazin-3-yl]-2,4-dihydroxybutanoate","","","","","","","","","","","","","","","","","","","","Isopropyl(2s,3s)-3-[5-(dimethyl-phenyl-silyl)-2h-oxazin-3-yl]-2,4-dihydroxy-butanoate","","CC(C)OC(=O)C(C(CO)C1=CC(=CON1)[Si](C)(C)C2=CC=CC=C2)O","SOICQPFUVLTMLM-AEFFLSMTSA-N","395313",NA,"PDBC51911","699795","Present"
-"Propan-2-yl (3Z)-4-[(4-methoxyphenyl)methyl]-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Propan-2-yl (3Z)-4-[(4-methoxyphenyl)methyl]-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate","","CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2C(=O)OC(C)C)CC4=CC=C(C=C4)OC)OC","OQASDBXVYYAUOR-NTFVMDSBSA-N","5387229",NA,"PDBC51912","622071","Present"
-"Propan-2-yl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Propan-2-yl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate","","CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2C(=O)OC(C)C)CC4=CC=CC=C4)OC","SKESHLUVQUFVJP-YUMHPJSZSA-N","5387228",NA,"PDBC51913","622070","Present"
-"Propan-2-yl (7S,8R,9S)-7,8,9-trichloro-5-oxo-8,9-dihydro-7H-pyrido[2,3-a]indolizine-10-carboxylate","","","","","","","","","","","","","","","","","","","","Propan-2-yl (7S,8R,9S)-7,8,9-trichloro-5-oxo-8,9-dihydro-7H-pyrido[2,3-a]indolizine-10-carboxylate","","CC(C)OC(=O)C1=C2C3=C(C=CC=N3)C(=O)N2C(C(C1Cl)Cl)Cl","NROKSFFCFRAWQB-OPQQBVKSSA-N","400485",NA,"PDBC51914","712299","Present"
-"Propan-2-yl (7S,8S,9R)-7,8,9-trichloro-5-oxo-8,9-dihydro-7H-pyrido[2,3-a]indolizine-10-carboxylate","","","","","","","","","","","","","","","","","","","","Propan-2-yl (7S,8S,9R)-7,8,9-trichloro-5-oxo-8,9-dihydro-7H-pyrido[2,3-a]indolizine-10-carboxylate","","CC(C)OC(=O)C1=C2C3=C(C=CC=N3)C(=O)N2C(C(C1Cl)Cl)Cl","NROKSFFCFRAWQB-GBIKHYSHSA-N","400486",NA,"PDBC51915","712300","Present"
-"Propan-2-yl 2-(2,5-dichlorophenyl)hydrazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","NSC408050","","CC(C)OC(=O)NNC1=C(C=CC(=C1)Cl)Cl","OFEYEBCWSYDTJV-UHFFFAOYSA-N","245547",NA,"PDBC51916","408050","Present"
-"Propan-2-yl 2-chloro-4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-chloro-4-[[(3,6-dioxo-1,4-cyclohexadieny...","","CC(C)OC(=O)C1=C(C=C(C=C1)NCC2=CC(=O)C=CC2=O)Cl","CHRRHHZGQZFPKS-UHFFFAOYSA-N","390157",NA,"PDBC51917","687225","Present"
-"Propan-2-yl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 2-chloro-5-[[(2-methoxyphenyl)carbonyl] am...","","CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2OC)Cl","NGTXXSPAQKTCOA-UHFFFAOYSA-N","361504",NA,"PDBC51918","624575","Present"
-"Propan-2-yl 3-chloro-5-[1-(3-chloro-4-hydroxy-5-propan-2-yloxycarbonylphenyl)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-hydroxybenzoate","","","","","","","","","","","","","","","","","","","","(5.alpha.)-3.beta.-[4,4-Di(5'-chloro-4'-hydroxy-3'-(1-me...","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)OC(C)C)C6=CC(=C(C(=C6)Cl)O)C(=O)OC(C)C)C)C","KCQSPSQLSCOINC-SCCGAENTSA-N","388790",NA,"PDBC51919","683876","Present"
-"Propan-2-yl 4-[[3-[(4-chloro-2-methylphenyl)carbamoyl]-7,8-dimethoxy-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carbonyl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Propan-2-yl 4-[[3-[(4-chloro-2-methylphenyl)carbamoyl]-7,8-dimethoxy-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carbonyl]amino]benzoate","","CC1=C(C=CC(=C1)Cl)NC(=O)C2=C(SC3=NC4=CC(=C(C=C4C(=O)N23)OC)OC)C(=O)NC5=CC=C(C=C5)C(=O)OC(C)C","WCLJJWRVZNSGHY-UHFFFAOYSA-N","45028560",NA,"PDBC51920","743247","Present"
-"Propan-2-yl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride","","","","","","","","","","","","","","","","","","","","Propan-2-yl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride","","CC1=C(NC(=C1C(=O)OC(C)C)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","UPCAIKXYYKGYLJ-WPTDRQDKSA-N","136040160",NA,"PDBC51921","753662","Present"
-"Propan-2-yl N-(3-chloroanilino)carbamate","","","","","","","","","","","","","","","","","","","","Propan-2-yl 2-(3-chlorophenyl)hydrazinecarboxylate","","CC(C)OC(=O)NNC1=CC(=CC=C1)Cl","XXMJLNVCUYMLPE-UHFFFAOYSA-N","232373",NA,"PDBC51922","29700","Present"
-"Propan-2-yl N-hexadecylcarbamate","","","","","","","","","","","","","","","","","","","","Propan-2-yl hexadecylcarbamate","","CCCCCCCCCCCCCCCCNC(=O)OC(C)C","UMMCTIRBSNSOIX-UHFFFAOYSA-N","238166",NA,"PDBC51923","42405","Present"
-"Propanamide,n-(5-bromo-2-pyridinyl)-","","","","","","","","","","","","","","","","","","","","SC-60745","","CCSC1=C(SC(=NC2=CC=C(C=C2)N=C3SC(=C(S3)SC)C)S1)C4=CC=C(C=C4)C","WNILRNLNRJSMSI-UHFFFAOYSA-N","387509",NA,"PDBC51924","681319","Present"
-"Propane-1,3-diylbis(triphenylphosphonium) dibromide","","","","","","","","","","","","","","","","","","","","NSC625187///NSC84073","","C1=CC=C(C=C1)[P+](CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","RJUVVNLKTAWSCY-UHFFFAOYSA-M","361866",NA,"PDBC51925","625187///84073","Present"
-"Propanedinitrile, (10-hydrazono-9(10H)-anthracenylidene)-","","","","","","","","","","","","","","","","","","","","Propanedinitrile, (10-hydrazono-9(10H)-anthracenylidene)-","","C1=CC=C2C(=C1)C(=C(C#N)C#N)C3=CC=CC=C3C2=NN","LDQYWCSUCBIOQT-UHFFFAOYSA-N","395930",NA,"PDBC51926","701025","Present"
-"Propanedinitrile, (3,4-dihydro-1,1-dioxido-1-benzothiepin-5(2H)-ylidene)-","","","","","","","","","","","","","","","","","","","","(1,1-Dioxido-3,4-dihydro-1-benzothiepin-5(2h)-ylidene)propanedinitrile","","C1CC(=C(C#N)C#N)C2=CC=CC=C2S(=O)(=O)C1","RAIQEXUOPXMWGF-UHFFFAOYSA-N","391880",NA,"PDBC51927","691561","Present"
-"Propanedinitrile, 1H-indazol-6-ylhydrazono-","","","","","","","","","","","","","","","","","","","","propanedinitrile, 1h-indazol-6-ylhydrazono-","","C1=CC2=C(C=C1NN=C(C#N)C#N)NN=C2","KBHJCKDSZFMKDB-UHFFFAOYSA-N","334142",NA,"PDBC51928","338517","Present"
-"Propanedinitrile, 2,2'-(4,6-dihydrofluoreno[4,5-def][1,3]diazepine-5,10-diylidene)bis-","","","","","","","","","","","","","","","","","","","","Propanedinitrile, 2,2'-(4,6-dihydrofluoreno[4,5-def][1,3]diazepine-5,10-diylidene)bis-","","C1=CC2=C3C(=C1)NC(=C(C#N)C#N)NC4=CC=CC(=C43)C2=C(C#N)C#N","NFAOXJNISLKRSW-UHFFFAOYSA-N","361851",NA,"PDBC51929","625172","Present"
-"Propanedinitrile, 2,2'-(hexahydro-1,4-pentalenediylidene)bis-","","","","","","","","","","","","","","","","","","","","Propanedinitrile, 2,2'-(hexahydro-1,4-pentalenediylidene)bis-","","C1CC(=C(C#N)C#N)C2C1C(=C(C#N)C#N)CC2","ABHNJQPWUGYABV-UHFFFAOYSA-N","361887",NA,"PDBC51930","625232","Present"
-"Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester","","","","","","","","","","","","","","","","","","","","malonic acid, (o-chlorobenzylidene)-, diethyl ester (8ci)","","CCOC(=O)C(=CC1=CC=CC=C1Cl)C(=O)OCC","OJWGHOBMLQZGJO-UHFFFAOYSA-N","297307",NA,"PDBC51931","168418","Present"
-"Propanedioic acid, bis[2-[(4-chlorophenyl)thioxomethyl]-2-methylhydrazide]","","","","","","","","","","","","","","","","","","","","Propanedioic acid, bis[2-[(4-chlorophenyl)thioxomethyl]-...","","CN(C(=S)C1=CC=C(C=C1)Cl)NC(=O)CC(=O)NN(C)C(=S)C2=CC=C(C=C2)Cl","LYWWILDQHVTJKY-UHFFFAOYSA-N","300472",NA,"PDBC51932","174940","Present"
-"Propanedioic acid, bis[2-[(4-methoxyphenyl)thioxomethyl]-2-methylhydrazide]","","","","","","","","","","","","","","","","","","","","Propanedioic acid, bis[2-[(4-methoxyphenyl)thioxomethyl]...","","CN(C(=S)C1=CC=C(C=C1)OC)NC(=O)CC(=O)NN(C)C(=S)C2=CC=C(C=C2)OC","VSOAZRNZKXYWDG-UHFFFAOYSA-N","300473",NA,"PDBC51933","174941","Present"
-"Propanedioic acid, trisodium salt","","","","","","","","","","","","","","","","","","","","Propanedioic acid, (mercaptophenylphosphinothioyl)-, tri...","","C1=CC=C(C=C1)P(=S)(C(C(=O)O)C(=O)O)S.[Na+]","FDFCUJXEBDRFSO-UHFFFAOYSA-N","54611330",NA,"PDBC51934","634089","Present"
-"Propanedithioamide, 2-[(4-aminocarbonyl-1H-imidazol-5-yl)hydrazono]-N-methyl-","","","","","","","","","","","","","","","","","","","","Propanedithioamide, 2-[(4-aminocarbonyl-1H-imidazol-5-yl...","","CNC(=S)C(=NNC1=C(NC=N1)C(=O)N)C(=S)N","HTLIKQVGPDUVIY-CPSFFCFKSA-N","5466293",NA,"PDBC51935","684046","Present"
-"Propanenitrile, 3,3'-[[4-[(4,5-dihydro-5-oxo-2-phenyl-4-oxazolyl)methyl]-3-methylphenyl]imino]bis-","","","","","","","","","","","","","","","","","","","","Propanenitrile, 3,3'-[[4-[(4,5-dihydro-5-oxo-2-phenyl-4-oxazolyl)methyl]-3-methylphenyl]imino]bis-","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)CC2C(=O)OC(=N2)C3=CC=CC=C3","CAXCBLIMJGHOFX-UHFFFAOYSA-N","369346",NA,"PDBC51936","641101","Present"
-"Propanesulfonamide, N-(4-(acridin-9-ylamino)-3-methoxyphenyl)-, methanesulfonate","","","","","","","","","","","","","","","","","","","","1-Propanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyp...","","CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O","GJANYQFETOVQHN-UHFFFAOYSA-N","148870",NA,"PDBC51937","243929","Present"
-"Propanimidoyl chloride, 2-methyl-N-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]oxy]-","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, 2-methyl- N-[[[[3-(trifluorometh...","","CC(C)C(=NOC(=O)NC1=CC=CC(=C1)C(F)(F)F)Cl","SBOFGAVSIVHESL-ZDLGFXPLSA-N","9556250",NA,"PDBC51938","682827","Present"
-"Propanimidoyl chloride, N-[[[(4-fluorophenyl)amino]carbonyl]oxy]-2-methyl-","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[(4-fluorophenyl)amino]carbo...","","CC(C)C(=NOC(=O)NC1=CC=C(C=C1)F)Cl","BPTQFEISWMIPEQ-XNTDXEJSSA-N","5466019",NA,"PDBC51939","672045","Present"
-"Propanimidoyl chloride, N-[[[(4-methoxy-3-methylphenyl) amino]carbonyl]oxy]-","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[(4-methoxy-3-methylphenyl) ...","","CCC(=NOC(=O)NC1=CC(=C(C=C1)OC)C)Cl","BQQRRAPKJQAAEF-RVDMUPIBSA-N","5466256",NA,"PDBC51940","682826","Present"
-"Propanimidoyl chloride, N-[[[(4-methoxyphenyl)amino] carbonyl]oxy]-","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[(4-methoxyphenyl)amino] car...","","CCC(=NOC(=O)NC1=CC=C(C=C1)OC)Cl","VEEMNYFRFIZRPA-GXDHUFHOSA-N","5466263",NA,"PDBC51941","682833","Present"
-"Propanimidoyl chloride, N-[[[[(4-aminosulfonyl)phenyl]amino]carbonyl]oxy]-2-methyl-","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[[(4-aminosulfonyl)phenyl]am...","","CC(C)C(=NOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)Cl","DKAJMQRQZTWDRM-XNTDXEJSSA-N","5466025",NA,"PDBC51942","672051","Present"
-"Propanimidoyl chloride, N-[[[[2-(trifluoromethoxy)phenyl] amino]carbonyl]oxy]-","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[[2-(trifluoromethoxy)phenyl...","","CCC(=NOC(=O)NC1=CC=CC=C1OC(F)(F)F)Cl","SCUXNDZQBZNNKT-RQZCQDPDSA-N","5466266",NA,"PDBC51943","682836","Present"
-"Propanimidoyl chloride, N-[[[[2-methoxy-5-(trifluoromethyl)phenyl]amino]carbonyl]oxy]-2-methyl-","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[[2-methoxy- 5-(trifluoromet...","","CC(C)C(=NOC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC)Cl","ZYQLQBDROPYYOL-YBFXNURJSA-N","5466269",NA,"PDBC51944","682839","Present"
-"Propanimidoyl chloride,4-difluorophenyl)amino] carbonyl]oxy]-","","","","","","","","","","","","","","","","","","","","Propanimidoyl chloride, N-[[[(2,4-difluorophenyl)amino] ...","","CCC(=NOC(=O)NC1=C(C=C(C=C1)F)F)Cl","XCFSXBDWACVBHR-OQLLNIDSSA-N","5466264",NA,"PDBC51945","682834","Present"
-"Propanoic acid,sodium salt","","","","","","","","","","","","","","","","","","","","NSC656889","","CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl.[Na+]","OJENKXNXJPNEPU-UHFFFAOYSA-N","54608963",NA,"PDBC51946","656889","Present"
-"Propanol, 2,2-bis(piperidinomethyl)-3-piperidino-","","","","","","","","","","","","","","","","","","","","LS-121777","","C1CCN(CC1)CC(CN2CCCCC2)(CN3CCCCC3)CO","AEHVYNQIUPBRDI-UHFFFAOYSA-N","377572",NA,"PDBC51947","659137","Present"
-"Propionic acid, 3-(purin-6-ylthio)-","","","","","","","","","","","","","","","","","","","","wln: t56 bm dn fn hnj is2vq","","C1=NC2=C(N1)C(=NC=N2)SCCC(=O)O","CSOKIZRBAMNJDO-UHFFFAOYSA-N","69096",NA,"PDBC51948","22242","Present"
-"Propionic acid,2'-thiodi-, bis[(m-methoxybenzylidene)hydrazide]","","","","","","","","","","","","","","","","","","","","Propanoic acid, 2,2'-thiobis-, bis[[(3-methoxyphenyl)met...","","CC(C(=O)NN=CC1=CC(=CC=C1)OC)SC(C)C(=O)NN=CC2=CC(=CC=C2)OC","RGOGHTJKUCHEDX-NQGGHMMCSA-N","5351176",NA,"PDBC51949","56737","Present"
-"Propiophenone, 3-phenyl-3-piperidino-","","","","","","","","","","","","","","","","","","","","PROPIOPHENONE, 3-PHENYL-3-PIPERIDINO-","","C1CCN(CC1)C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3","CVVZGKZBSZURJO-UHFFFAOYSA-N","219163",NA,"PDBC51950","35446","Present"
-"Propiophenone,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Propiophenone, 4'-fluoro-3-(1,2,4,4a,5,6-hexahydro-3H-py...","","C1CC2=CC=CC=C2N3C1CN(CC3)CCC(=O)C4=CC=C(C=C4)F.Cl","LWEFVOQSTJIYDV-UHFFFAOYSA-N","24192024",NA,"PDBC51951","147865","Present"
-"Propyl 1-(2,2-dichloroacetyl)-5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Propyl 1-(2,2-dichloroacetyl)-5-oxopyrrolidine-2-carboxylate","","CCCOC(=O)C1CCC(=O)N1C(=O)C(Cl)Cl","KAYSJEMXIYFRCA-UHFFFAOYSA-N","367286",NA,"PDBC51952","636834","Present"
-"Propyl 1-(2-chloropropanoyl)-5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Propyl 1-(2-chloropropanoyl)-5-oxopyrrolidine-2-carboxylate","","CCCOC(=O)C1CCC(=O)N1C(=O)C(C)Cl","XCKNUZTXKSSGQT-UHFFFAOYSA-N","367288",NA,"PDBC51953","636836","Present"
-"Propyl 2-{[(tert-butoxy)carbonyl]amino}acetate","","","","","","","","","","","","","","","","","","","","Propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate","","CCCOC(=O)CNC(=O)OC(C)(C)C","JJRCBYIAIXITJN-UHFFFAOYSA-N","357715",NA,"PDBC51954","617232","Present"
-"Propyl 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium-5-carboxylate;iodide","","","","","","","","","","","","","","","","","","","","Propyl 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium-5-carboxylate;iodide","","CCCOC(=O)C1=C(N(C2=[N+]1C=CS2)C)C.[I-]","HZRZPXWBGQZGQW-UHFFFAOYSA-M","10499110",NA,"PDBC51955","741776","Present"
-"Propyl alpha, sodium salt (2:1 mixture)","","","","","","","","","","","","","","","","","","","","Propyl .alpha.,.beta.-D-glucopyranoside- 6-sulfonic acid...","","CCCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.CCCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.[Na+]","ZZLWAOBXYUGAQW-UHFFFAOYSA-N","54600789",NA,"PDBC51956","626236","Present"
-"Propyl alpha, sodium salt, tri-O-acatate, monohydrate (3:2 mixture)","","","","","","","","","","","","","","","","","","","","Propyl .alpha.,.beta.-D-glucopyranoside-6-sulfonic acid,...","","CCCOC1C(C(C(C(O1)CS(=O)(=O)O)OC(=O)C)OC(=O)C)OC(=O)C.[Na+]","CIFAIOCRAPCYNF-UHFFFAOYSA-N","54608643",NA,"PDBC51957","626556","Present"
-"Propyl gallate","","","","","","","","","","","","","","","","","","","","Propyl Gallate","","CCCOC(=O)C1=CC(=C(C(=C1)O)O)O","ZTHYODDOHIVTJV-UHFFFAOYSA-N","4947",NA,"PDBC51958","2626","Present"
-"Propyl quinacrine mustard","","","","","","","","","","","","","","","","","","","","Propyl quinacrine mustard","","COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCl)CCCl.Cl","GRWWEYSVLARNEX-UHFFFAOYSA-N","24182496",NA,"PDBC51959","17273","Present"
-"Propyl-1-aminium,5-bis(phenylmethylene)-4-oxo-piperidin-1-yl]-3-oxo-N,N,N-trimethyl-, bromide","","","","","","","","","","","","","","","","","","","","Propyl-1-aminium, 3-[3,5-bis(phenylmethylene)-4-oxo- pip...","","C[N+](C)(C)CCC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1.[Br-]","AUUOGAVSBZTROQ-VLQAMQNLSA-M","5388801",NA,"PDBC51960","638635","Present"
-"Propylamine, monohydrobromide","","","","","","","","","","","","","","","","","","","","Propylamine, 3-(2-chloro-4-nitrophenoxy)-, monohydrobromide","","C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCCCN.Br","HMKONULKOQQNTG-UHFFFAOYSA-N","21144443",NA,"PDBC51961","123516","Present"
-"Propylene dimethanesulfonate","","","","","","","","","","","","","","","","","","","","propylene dimethanesulfonate","","CS(=O)(=O)OCCCOS(=O)(=O)C","MAIFZJHANFOZHK-UHFFFAOYSA-N","27532",NA,"PDBC51962","17017","Present"
-"Propylene sulfite","","","","","","","","","","","","","","","","","","","","propylene sulfite","","CC1COS(=O)O1","SJHAYVFVKRXMKG-UHFFFAOYSA-N","15117",NA,"PDBC51963","525703","Present"
-"Proquinolate","","","","","","","","","","","","","","","","","","","","mequinolate","","CC(C)OC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OC)OC(C)C","VSIUFPQOEIKNCY-UHFFFAOYSA-N","15547",NA,"PDBC51964","201112","Present"
-"Prospidine","","","","","","","","","","","","","","","","","","","","Prospidin","","C1C[N+]2(CCN1CC(CCl)O)CC[N+]3(CCN(CC3)CC(CCl)O)CC2.[Cl-]","CNCQWOQGHOHTIX-UHFFFAOYSA-M","9846436",NA,"PDBC51965","166100","Present"
-"Prostratin","","","","","","","","","","","","","","","","","","","","Prostratin","","CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C","BOJKFRKNLSCGHY-UMJKPZNRSA-N","360836",NA,"PDBC51966","623310","Present"
-"Protease inhibitor from rabbit skeletal muscle","","","","","","","","","","","","","","","","","","","","Protease inhibitor from rabbit skeletal muscle","","","","",NA,"PDBC51967","694282","Present"
-"Protein Toxin A 23 - MW approx. 6700","","","","","","","","","","","","","","","","","","","","Protein Toxin A 23 - MW approx. 6700","","","","",NA,"PDBC51968","650289","Present"
-"Protein toxin B 15 - MW approx 6700","","","","","","","","","","","","","","","","","","","","Protein toxin B 15 - MW approx 6700","","","","",NA,"PDBC51969","650290","Present"
-"Protein toxin C 10 - MW approx. 6700","","","","","","","","","","","","","","","","","","","","Protein toxin C 10 - MW approx. 6700","","","","",NA,"PDBC51970","650291","Present"
-"Protein toxin D 5 - MW approx 6700","","","","","","","","","","","","","","","","","","","","Protein toxin D 5 - MW approx 6700","","","","",NA,"PDBC51971","650292","Present"
-"Protein: 33","","","","","","","","","","","","","","","","","","","","Protein: 33","","","","",NA,"PDBC51972","678522","Present"
-"Protein: EF","","","","","","","","","","","","","","","","","","","","Protein: EF","","","","",NA,"PDBC51973","678519","Present"
-"Protein: FP59","","","","","","","","","","","","","","","","","","","","Protein: FP59","","","","",NA,"PDBC51974","678520","Present"
-"Protein: LF","","","","","","","","","","","","","","","","","","","","Protein: LF","","","","",NA,"PDBC51975","678518","Present"
-"Protein: LF-TTLC","","","","","","","","","","","","","","","","","","","","Protein: LF-TTLC","","","","",NA,"PDBC51976","678521","Present"
-"Protein: PA","","","","","","","","","","","","","","","","","","","","Protein: PA","","","","",NA,"PDBC51977","678517","Present"
-"Protein: PA30-14","","","","","","","","","","","","","","","","","","","","Protein: PA30-14","","","","",NA,"PDBC51978","678523","Present"
-"Protein: PAHIV1","","","","","","","","","","","","","","","","","","","","Protein: PAHIV1","","","","",NA,"PDBC51979","678524","Present"
-"Protein: PAHIV4","","","","","","","","","","","","","","","","","","","","Protein: PAHIV4","","","","",NA,"PDBC51980","678525","Present"
-"Protodioscin","","","","","","","","","","","","","","","","","","","","Protodioscin","","CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O","LVTJOONKWUXEFR-JJJZJWRYSA-N","6712591",NA,"PDBC51981","698796","Present"
-"Protoleucomelone","","","","","","","","","","","","","","","","","","","","protoleucomelone","","CC(=O)OC1=CC=C(C=C1)C2=C(C(=C(C(=C2OC(=O)C)OC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","HPFJFTKHDYGPOR-UHFFFAOYSA-N","404979",NA,"PDBC51982","721619","Present"
-"Protoneodioscin","","","","","","","","","","","","","","","","","","","","Protoneodioscin","","CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O","LVTJOONKWUXEFR-ZKTFDPTGSA-N","6712584",NA,"PDBC51983","698789","Present"
-"Prototryptochrome, iodo-","","","","","","","","","","","","","","","","","","","","Prototryptochrome, iodo-","","C1=CC=C2C(=C1)C3C4N2C(=N)C(C5(C4N(C6=CC=CC=C65)C(=N)C3O)I)O","OHXRFXUHYNXSGY-UHFFFAOYSA-N","273178",NA,"PDBC51984","118176","Present"
-"Proxazole citrate","","","","","","","","","","","","","","","","","","","","toness","","CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","WFAULHLDTDDABL-UHFFFAOYSA-N","8589",NA,"PDBC51985","303872","Present"
-"Prumycin HCl","","","","","","","","","","","","","","","","","","","","prumycin","","CC(C(=O)NC(CO)C(C(C=O)N)O)N.Cl","BWDOCCNJZQOHQF-GYENTSQJSA-N","24197905",NA,"PDBC51986","278619","Present"
-"Psammaplin A","","","","","","","","","","","","","","","","","","","","B723735K022","","C1=CC(=C(C=C1CC(=NO)C(=O)NCCSSCCNC(=O)C(=NO)CC2=CC(=C(C=C2)O)Br)Br)O","LMAFSGDNHVBIHU-XUIWWLCJSA-N","6400741",NA,"PDBC51987","614495","Present"
-"Pseudoakuammigine","","","","","","","","","","","","","","","","","","","","PSEUDOAKUAMMIGINE","","CC=C1CN2CCC34C5=CC=CC=C5N(C36C2CC1C4(CO6)C(=O)OC)C","HAGBWVNSVWLTKY-LNKIKWGQSA-N","5478100",NA,"PDBC51988","381082","Present"
-"Pseudocoralyne","","","","","","","","","","","","","","","","","","","","pseudocoralyne","","CC(=O)C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC","SOHXPAIDAXNJNZ-UHFFFAOYSA-N","72351",NA,"PDBC51989","98542","Present"
-"Pseudoephedrine hydrochloride","","","","","","","","","","","","","","","","","","","","besan","","CC(C(C1=CC=CC=C1)O)NC.Cl","BALXUFOVQVENIU-KXNXZCPBSA-N","9581",NA,"PDBC51990","33634","Present"
-"Pseudolarolide B","","","","","","","","","","","","","","","","","","","","Pseudolarolide B","","CC1CC2(C=C(C(=O)O2)C)OC3C1C4(CCC56CC57CCC(=O)C(C7CCC6C4(C3)C)(C)C)C","ULWBDUNMGKITLY-IOHABJLPSA-N","6711550",NA,"PDBC51991","630837","Present"
-"Pseudolarolide C","","","","","","","","","","","","","","","","","","","","Pseudolarolide C","","CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC5(C(CCC6C4(C3)C)C(C)(C)O)CCC(=O)OC)C","YBQWVVDWBNHYPN-TZXWZJMFSA-N","6711551",NA,"PDBC51992","630838","Present"
-"Pseudolarolide D","","","","","","","","","","","","","","","","","","","","Pseudolarolide D","","CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC57CCC(=O)OC(C7CCC6C4(C3)C)(C)C)C","CXOURXPOOHLOKR-HFOPWLQVSA-N","6711552",NA,"PDBC51993","630839","Present"
-"Pseudolarolide F","","","","","","","","","","","","","","","","","","","","Pseudolarolide F","","CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC5(C=C6C(CCCC4(C3)C)C(OC(=O)C=C6O5)(C)C)O)C","CGCRMQVWDAOCHS-FMDZHGMKSA-N","6711553",NA,"PDBC51994","630840","Present"
-"Pseudolarolide G","","","","","","","","","","","","","","","","","","","","Pseudolarolide G","","CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC7(C=CC(=O)OC(C7CCC5C4(C3)C)(C)C)OO6)C","KYSAZQMUXWZIQI-KPTZHYDISA-N","6711554",NA,"PDBC51995","630841","Present"
-"Pseudolarolide I","","","","","","","","","","","","","","","","","","","","Pseudolarolide I","","CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC7(C(CCC5C4(C3)C)C(OC(=O)CC7OO6)(C)C)O)C","WWHDTNBUKVCZRA-PNKYJZNVSA-N","6711555",NA,"PDBC51996","630842","Present"
-"Pseudolycorine hydrochloride","","","","","","","","","","","","","","","","","","","","Pseudolycorine hydrochloride","","COC1=C(C=C2C3C(C(C=C4C3N(CC4)CC2=C1)O)O)O.Cl","JARKVZLSZVTMPN-UHFFFAOYSA-N","24198811",NA,"PDBC51997","305489","Present"
-"Pseudoplexauric acid methyl ester (PAME)","","","","","","","","","","","","","","","","","","","","Pseudoplexauric acid methyl ester (PAME)","","CC1=CCCC2(C(O2)CC(CCC(=CCC1)C)C(=C)C(=O)OC)C","IMDCCJVYXFXTMV-HZFLVBQBSA-N","5469753",NA,"PDBC51998","692195","Present"
-"Pseudopteranoic acid","","","","","","","","","","","","","","","","","","","","Pseudopteranoic acid","","CC(=C)C1CCC2=CC(C(C3=CC(=C(C1)O3)C(=O)O)C(=C)C)OC2=O","MWPXGKCYXBBIKZ-XHBKTUGNSA-N","387975",NA,"PDBC51999","682339","Present"
-"Pseudourea, 2-dodecyl-1,3-dimethyl-2-thio-, hydriodide","","","","","","","","","","","","","","","","","","","","carbamimidothioic acid, n,n'-dimethyl-, dodecyl ester, m...","","CCCCCCCCCCCCSC(=NC)NC.I","UVZFSSUXLWWLSM-UHFFFAOYSA-N","79376",NA,"PDBC52000","3518","Present"
-"Psicoplanocin","","","","","","","","","","","","","","","","","","","","Psicoplanocin","","C1=C(C(C(C1(CO)N2C=NC3=C(N=CN=C32)N)O)O)CO","KAHFNGFFLLIPDJ-KWPJZBAWSA-N","6711586",NA,"PDBC52001","631876","Present"
-"Psoralin, B-diethylamino-5-ethoxy-","","","","","","","","","","","","","","","","","","","","PSORALIN, B-DIETHYLAMINO-5-ETHOXY-","","CCN(CC)CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3.Cl","DWAOUXYZOSPAOH-UHFFFAOYSA-N","24199770",NA,"PDBC52002","341960","Present"
-"Ptilomycalin A format salt","","","","","","","","","","","","","","","","","","","","Ptilomycalin A format salt","","CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCCN)CCCN)CCCC(O5)C.C(=O)[O-]","GZQCQIJREKFTGX-GYZMTDKTSA-N","395755",NA,"PDBC52003","700559","Present"
-"Pubchem_21189377","","","","","","","","","","","","","","","","","","","","Sodium;6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol","","C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O.[Na+]","BXJBFCKTIWRKMQ-UHFFFAOYSA-N","21189377",NA,"PDBC52004","143670","Present"
-"Pubchem_24181001","","","","","","","","","","","","","","","","","","","","NSC3877","","C1=CC=[N+](C=C1)C2C3=CC=CC=C3C(C4=CC=CC=C24)[N+]5=CC=CC=C5.[Br-]","SJXMUQGGLSLXCE-UHFFFAOYSA-M","24181001",NA,"PDBC52005","3877","Present"
-"Pubchem_24181093","","","","","","","","","","","","","","","","","","","","2-[4-(Carboxymethoxy)phenoxy]acetic acid","","C1=CC(=CC=C1OCC(=O)O)OCC(=O)O.[Na+]","SSBYCKHLFJLRDJ-UHFFFAOYSA-N","24181093",NA,"PDBC52006","4681","Present"
-"Pubchem_24181416","","","","","","","","","","","","","","","","","","","","Diphenyliodanium;2,4,6-trinitrophenol","","C1=CC=C(C=C1)[I+]C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","DIMWQKOJXMFPSG-UHFFFAOYSA-N","24181416",NA,"PDBC52007","8982","Present"
-"Pubchem_24182478","","","","","","","","","","","","","","","","","","","","NSC17173","","CCOC1=CC=C(C=C1)N=NS(=O)(=O)O.[Na+]","UTXQWFBEJVUFKF-UHFFFAOYSA-N","24182478",NA,"PDBC52008","17173","Present"
-"Pubchem_24190688","","","","","","","","","","","","","","","","","","","","s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[m-[2...","","CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCOC3=CC=C(C=C3)[N+](=O)[O-])N)N)C.[Cl-]","GXVAGNMAFXXMEQ-UHFFFAOYSA-M","24190688",NA,"PDBC52009","112535","Present"
-"Pubchem_54598723","","","","","","","","","","","","","","","","","","","","Sodium;benzyl(methyl)carbamodithioic acid","","CN(CC1=CC=CC=C1)C(=S)S.[Na+]","VGUOGNQJDGNDNV-UHFFFAOYSA-N","54598723",NA,"PDBC52010","527036","Present"
-"Pubchem_54598981","","","","","","","","","","","","","","","","","","","","Zinc;4-dodecylbenzenesulfonic acid","","CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.[Zn+2]","CYIDGWNWGVLYDF-UHFFFAOYSA-N","54598981",NA,"PDBC52011","85536","Present"
-"Pubchem_54599399","","","","","","","","","","","","","","","","","","","","2-Naphthalenesulfonic acid, 8-amino-5-[(4'-hydroxy [1, 1...","","C1=CC(=CC=C1C2=CC=C(C=C2)O)N=NC3=C4C=CC(=CC4=C(C=C3)N)S(=O)(=O)O.[Na+]","IKGWSKUMUVVHGJ-UHFFFAOYSA-N","135422236",NA,"PDBC52012","65828","Present"
-"Pubchem_54599933","","","","","","","","","","","","","","","","","","","","Benzenesulfonic acid, 5,5'-azoxybis[2-[2-[2-sulfo-4- [[4...","","C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=[N+](C5=CC(=C(C=C5)C=CC6=C(C=C(C=C6)N=NC7=CC=C(C=C7)N=NC8=CC=C(C=C8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+]","NDZBKCLPIPGRBA-PVFPWCCWSA-N","54599933",NA,"PDBC52013","35612","Present"
-"Pubchem_54601357","","","","","","","","","","","","","","","","","","","","NSC85521","","C(CNC(=S)S)NC(=S)S.[Cu+2]","LPITVXZSYRHFAG-UHFFFAOYSA-N","54601357",NA,"PDBC52014","85521","Present"
-"Pubchem_54602459","","","","","","","","","","","","","","","","","","","","Sodium;4-[(4-fluorophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid","","C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)F.[Na+]","RPOHPYQEHKFTDR-UHFFFAOYSA-N","135421951",NA,"PDBC52015","45182","Present"
-"Pubchem_54603872","","","","","","","","","","","","","","","","","","","","Sodium;6-hydroxy-5-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid","","C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)[N+](=O)[O-].[Na+]","NGGSEWHRNXZYAN-UHFFFAOYSA-N","135421978",NA,"PDBC52016","45538","Present"
-"Pubchem_54603876","","","","","","","","","","","","","","","","","","","","Sodium;8-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC4=C3C(=CC=C4)S(=O)(=O)O)O.[Na+]","GSTJKTDININAMT-UHFFFAOYSA-N","135422004",NA,"PDBC52017","45578","Present"
-"Pubchem_54603949","","","","","","","","","","","","","","","","","","","","Benzenesulfonic acid, 5,5'-azoxybis[2-[4-[[2-methoxy-5- ...","","CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)O)OC)N=NC3=CC=C(C=C3)C=CC4=C(C=C(C=C4)N=[N+](C5=CC(=C(C=C5)C=CC6=CC=C(C=C6)N=NC7=C(C=C(C(=C7)C)N=NC8=CC(=CC=C8)S(=O)(=O)O)OC)S(=O)(=O)O)[O-])S(=O)(=O)O.[Na+]","HWOUQVSYCMXAHR-NUNPXZCUSA-N","54603949",NA,"PDBC52018","35614","Present"
-"Pubchem_54604119","","","","","","","","","","","","","","","","","","","","NSC109838","","CC1(N=C(N=C(N1C2=CC=CC(=C2)C=CC=CC3=CC(=CC=C3)[N+](=O)[O-])N)N)C.[Cl-]","IMJWNYVSPLVKJU-UQXJJJGTSA-M","54604119",NA,"PDBC52019","109838","Present"
-"Pubchem_54604163","","","","","","","","","","","","","","","","","","","","Lithium;[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate","","[Li+].C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O)F","ISDOCHGHOPLGIM-UHFFFAOYSA-N","54604163",NA,"PDBC52020","81206","Present"
-"Pubchem_54604547","","","","","","","","","","","","","","","","","","","","4H-1,4-Oxaphosphorinium, 2,2'-methylenebis[4,4,6-triphen...","","C1=CC=C(C=C1)C2=C[P+](C=C(O2)CC3=C[P+](C=C(O3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-]","JJSQJZWDWSRBEZ-UHFFFAOYSA-M","54604547",NA,"PDBC52021","339570","Present"
-"Pubchem_54604767","","","","","","","","","","","","","","","","","","","","2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-chlorophenyl...","","C1=CC=C(C(=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)Cl.[Na+]","KKWAPQYUMZLLCX-UHFFFAOYSA-N","135421976",NA,"PDBC52022","45534","Present"
-"Pubchem_54605179","","","","","","","","","","","","","","","","","","","","(Z)-3-(3-Nitrophenyl)-1-phenylprop-2-en-1-one;bromide","","C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-].[Br-]","QOVJTXXXOIQJDP-KVVVOXFISA-M","54605179",NA,"PDBC52023","39789","Present"
-"Pubchem_54605182","","","","","","","","","","","","","","","","","","","","Sodium;3-amino-4-chloro-9,10-dioxoanthracene-2-sulfonic acid","","C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)Cl)N)S(=O)(=O)O.[Na+]","IAIZONCPSWPOJJ-UHFFFAOYSA-N","54605182",NA,"PDBC52024","39875","Present"
-"Pubchem_54605323","","","","","","","","","","","","","","","","","","","","2-Naphthalenesulfonic acid, 8,8'-[1,2-ethenediylbis [(3-...","","C1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)N=NC5=C6C=C(C=CC6=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O.[Na+]","DJPPXUVCBBFOHF-SGSPRHBESA-N","54605323",NA,"PDBC52025","34933","Present"
-"Pubchem_54605511","","","","","","","","","","","","","","","","","","","","Sodium;4-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid","","C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)Br)O)S(=O)(=O)O.[Na+]","OZPNAAURAHUYLX-UHFFFAOYSA-N","135421932",NA,"PDBC52026","37605","Present"
-"Pubchem_54605619","","","","","","","","","","","","","","","","","","","","Sodium;7-hydroxy-8-[(4-nitrophenyl)diazenyl]naphthalene-1,3-disulfonic acid","","C1=CC(=CC=C1N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)O)[N+](=O)[O-].[Na+]","NEERSZDCTHRJKG-UHFFFAOYSA-N","135421979",NA,"PDBC52027","45539","Present"
-"Pubchem_54605624","","","","","","","","","","","","","","","","","","","","Sodium;7-hydroxy-8-[(4-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid","","CC1=CC=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","CHUHDIFTHJSSHO-UHFFFAOYSA-N","135421996",NA,"PDBC52028","45561","Present"
-"Pubchem_54606158","","","","","","","","","","","","","","","","","","","","NSC85759","","CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.[Cu+2]","SPXUXIMJBSYJNQ-UHFFFAOYSA-N","54606158",NA,"PDBC52029","85759","Present"
-"Pubchem_54608972","","","","","","","","","","","","","","","","","","","","Aplysioviolin","","CC=C1C(C(=O)N=C1C=C2C(=C(C(=CC3=C(C(=C(N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)OC)N2)CCC(=O)O)C)C","QTKXLHIVFZPNBG-LODKBFLISA-N","54608972",NA,"PDBC52030","721295","Present"
-"Pubchem_54609176","","","","","","","","","","","","","","","","","","","","Sodium;3-hydroxy-4-[(2-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid","","COC1=CC=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","JYXYOGUSMHAASF-UHFFFAOYSA-N","135421959",NA,"PDBC52031","45196","Present"
-"Pubchem_54609602","","","","","","","","","","","","","","","","","","","","Sodium;4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzenesulfonic acid","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)O.[Na+]","IAMWSTWHYJUUBZ-UHFFFAOYSA-N","54609602",NA,"PDBC52032","45738","Present"
-"Pubchem_54610326","","","","","","","","","","","","","","","","","","","","Bis(4-methoxyphenyl)iodanium;hydrobromide","","COC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)OC.Br","YDSNSDXMWRVLLI-UHFFFAOYSA-N","54610326",NA,"PDBC52033","141350","Present"
-"Pubchem_54611917","","","","","","","","","","","","","","","","","","","","Calcium;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid","","CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)O.[Ca+2]","PZTQVMXMKVTIRC-UHFFFAOYSA-N","135436504",NA,"PDBC52034","6132","Present"
-"Pulchellin C epoxide","","","","","","","","","","","","","","","","","","","","Pulchellin C epoxide","","CC12CC3C(CC4(C1C(C(C2)O)O)CO4)OC(=O)C3=C","UNGQJGCLTPNFSH-UHFFFAOYSA-N","268944",NA,"PDBC52035","109436","Present"
-"Pulchelloside I","","","","","","","","","","","","","","","","","","","","Pulchelloside","","CC1C2C(OC=C(C2(C(C1O)O)O)C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O","LGTHGFVYOAZGBN-NLGPCEMXSA-N","339057",NA,"PDBC52036","363977","Present"
-"Pulcherrimin E","","","","","","","","","","","","","","","","","","","","Pulcherrimin E","","CC1C2C(CC3=C1C=CO3)C4(CCC(C(C4(C(C2OC)OC(=O)C5=CC=CC=C5)O)(C)C(=O)O)OC(=O)C6=CC=CC=C6)C","HPZBZNRIQFDDIT-MPOKFLJKSA-N","24204173",NA,"PDBC52037","730813","Present"
-"Pungiolide-A","","","","","","","","","","","","","","","","","","","","Pungiolide-A","","C1CN(CCN1CCOCC2=CC(=CC=C2)C(F)(F)F)CC3=CC(=CC=C3)C(F)(F)F","UDKDJEBYTLAKEE-UHFFFAOYSA-N","353135",NA,"PDBC52038","600304","Present"
-"Purapuridine","","","","","","","","","","","","","","","","","","","","NSC178260///NSC179187","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1","KWVISVAMQJWJSZ-UHFFFAOYSA-N","5250",NA,"PDBC52039","178260///179187","Present"
-"Pure Blue","","","","","","","","","","","","","","","","","","","","pure blue","","COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","ORFSSYGWXNGVFB-UHFFFAOYSA-N","135422104",NA,"PDBC52040","9617","Present"
-"Purine riboside","","","","","","","","","","","","","","","","","","","","purinosine","","C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O","MRWXACSTFXYYMV-UHFFFAOYSA-N","248425",NA,"PDBC52041","65423","Present"
-"Purine, 2-amino-6-(O-nitrobenzylthio)-","","","","","","","","","","","","","","","","","","","","Purine, 2-amino-6-(O-nitrobenzylthio)-","","C1=CC=C(C(=C1)CSC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]","ZOPQOYFSTHMWDX-UHFFFAOYSA-N","3246141",NA,"PDBC52042","38737","Present"
-"Purine, 2-amino-6-(o-chlorobenzylthio)-","","","","","","","","","","","","","","","","","","","","Purine, 2-amino-6-(o-chlorobenzylthio)-","","C1=CC=C(C(=C1)CSC2=NC(=NC3=C2NC=N3)N)Cl","MVHWVJKYFYSMKP-UHFFFAOYSA-N","3616212",NA,"PDBC52043","36826","Present"
-"Purine, 2-amino-6-[5-bromo-2-(methylthio)-4-pyrimidinylthio]-","","","","","","","","","","","","","","","","","","","","Purine, 2-amino-6-[5-bromo-2-(methylthio)-4-pyrimidinylt...","","CSC1=NC=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br","OOYRDBYHTIMSRB-UHFFFAOYSA-N","4393482",NA,"PDBC52044","51562","Present"
-"Purine, 6-butylamino-2-methylthio-","","","","","","","","","","","","","","","","","","","","N-Butyl-2-(methylthio)-9H-purin-6-amine","","CCCCNC1=NC(=NC2=C1NC=N2)SC","YEZACIOSMXFXIA-UHFFFAOYSA-N","517841",NA,"PDBC52045","29424","Present"
-"Purine,6,8-tris(hexylamino)-","","","","","","","","","","","","","","","","","","","","Purine, 2,6,8-tris(hexylamino)-","","CCCCCCNC1=NC(=NC2=C1NC(=N2)NCCCCCC)NCCCCCC","DXKYFAHADZYZQP-UHFFFAOYSA-N","3354028",NA,"PDBC52046","45828","Present"
-"Purine-6-thiol, ethyl carbonate","","","","","","","","","","","","","","","","","","","","Purine-6-thiol, ethyl carbonate","","CCOC(=O)SC1=NC=NC2=C1NC=N2","KDZQFTVDTGVNCC-UHFFFAOYSA-N","580739",NA,"PDBC52047","69608","Present"
-"Purinyl-6-histamine","","","","","","","","","","","","","","","","","","","","1H-Purin-6-amine, N-[2-(1H-imidazol-4-yl)ethyl]- (9CI)","","C1=C(NC=N1)CCNC2=NC=NC3=C2NC=N3","SOTQBOWAIHEECH-UHFFFAOYSA-N","74278",NA,"PDBC52048","113989","Present"
-"Purpureagitosid","","","","","","","","","","","","","","","","","","","","Purpureagitosid","","CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O","PYVSHVUPVKOSBE-YYBGWXCUSA-N","401298",NA,"PDBC52049","714604","Present"
-"Purpurin","","","","","","","","","","","","","","","","","","","","purpurin","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O","BBNQQADTFFCFGB-UHFFFAOYSA-N","6683",NA,"PDBC52050","10447","Present"
-"Purpurogallin","","","","","","","","","","","","","","","","","","","","Purpurogallin","","C1=CC2=CC(=C(C(=C2C(=O)C(=C1)O)O)O)O","WDGFFVCWBZVLCE-UHFFFAOYSA-N","135403797",NA,"PDBC52051","35676","Present"
-"Pyrabrom","","","","","","","","","","","","","","","","","","","","bromth","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br.CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2","XMOLCXIDFCGXAR-UHFFFAOYSA-N","11809",NA,"PDBC52052","14279","Present"
-"Pyramidilin","","","","","","","","","","","","","","","","","","","","Pyramidilin","","CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(CO7)O)O)O)O)O)C=O)O","YVUJBGBHENFTIJ-VOQNBIHJSA-N","155813511",NA,"PDBC52053","782803","Present"
-"Pyran-Br","","","","","","","","","","","","","","","","","","","","Pyran-Br","","C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(C(=C(O4)N)C#N)C5=CC=C(C=C5)Br","RIOLKPLBBZLHAW-UHFFFAOYSA-N","406487",NA,"PDBC52054","724614","Present"
-"Pyrayafoline B","","","","","","","","","","","","","","","","","","","","Pyrayafoline B","","CC1=CC2=C(C=C1O)NC3=C2C=C4C=CC(OC4=C3)(C)C","RUQHCCGMEXXSBD-UHFFFAOYSA-N","375149",NA,"PDBC52055","654283","Present"
-"Pyrazinamine, 3,5-di-1H-indol-3-yl-N,N-dimethyl-","","","","","","","","","","","","","","","","","","","","Pyrazinamine, 3,5-di-1H-indol-3-yl-N,N-dimethyl-","","CN(C)C1=NC=C(N=C1C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","QUPTWIXAJUJZHE-UHFFFAOYSA-N","400426",NA,"PDBC52056","712005","Present"
-"Pyrazinamine,5,6-trichloro-N-1H-1,2,4-triazol-3-yl-","","","","","","","","","","","","","","","","","","","","Pyrazinamine, 3,5,6-trichloro-N-1H-1,2,4-triazol-3-yl-","","C1=NNC(=N1)N=C2C(=NC(C(=N2)Cl)Cl)Cl","JILZUYHXUUGBAB-RZNTYIFUSA-N","54599687",NA,"PDBC52057","157053","Present"
-"Pyrazine carboxyethylenediamino isosampangine","","","","","","","","","","","","","","","","","","","","N-[2-[(10-Oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]pyrazine-2-carboxamide","","C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)NCCNC(=O)C5=NC=CN=C5","RBQLBPUVAQKGLZ-UHFFFAOYSA-N","46854493",NA,"PDBC52058","723390","Present"
-"Pyrazine, 2,2'-(o-chlorobenzylidenediimino)di-","","","","","","","","","","","","","","","","","","","","Methanediamine, 1-(2-chlorophenyl)-N,N'-dipyrazinyl-","","C1=CC=C(C(=C1)C(NC2=NC=CN=C2)NC3=NC=CN=C3)Cl","COJBKZKCFNWXGE-UHFFFAOYSA-N","100764",NA,"PDBC52059","362868","Present"
-"Pyrazine, 2-(1-pentofuranosyl-3-phenyl-1H-1,2,4-triazol-5-yl)-","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-5-(3-phenyl-5-pyrazin-2-yl-1,2,4-triazol-1-yl)tetrahydrofuran-3,4-diol","","C1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(O4)CO)O)O","QFNSOSQYPDYLPK-UHFFFAOYSA-N","375984",NA,"PDBC52060","656350","Present"
-"Pyrazine, 2-[1-hexopyranosyl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-6-[3-(4-methoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]oxane-3,4,5-triol","","COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(C(O4)CO)O)O)O","KHMNDECJBPJRCH-UHFFFAOYSA-N","375982",NA,"PDBC52061","656348","Present"
-"Pyrazine, 2-[1-hexopyranosyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]-","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-6-[3-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]tetrahydropyran-3,4,5-triol","","CC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(C(O4)CO)O)O)O","XUNUVMRZAHDTRD-UHFFFAOYSA-N","375981",NA,"PDBC52062","656347","Present"
-"Pyrazine, 2-[3-(3-methoxyphenyl)-1-pentofuranosyl-1H-1,2,4-triazol-5-yl]-","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-5-[3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]tetrahydrofuran-3,4-diol","","COC1=CC=CC(=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(O4)CO)O)O","BVGMWMNHVBJEKV-UHFFFAOYSA-N","375986",NA,"PDBC52063","656352","Present"
-"Pyrazine, 2-[3-(4-methoxyphenyl)-1-(phenylmethyl)-1H-1,2,4-triazol-5-yl]-","","","","","","","","","","","","","","","","","","","","Pyrazine, 2-[3-(4-methoxyphenyl)-1-(phenylmethyl)-1H-1,2,4-triazol-5-yl]-","","COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC4=CC=CC=C4","ZLVVKQSKGPHZJX-UHFFFAOYSA-N","375975",NA,"PDBC52064","656341","Present"
-"Pyrazine, 2-[3-(4-methoxyphenyl)-1-pentofuranosyl-1H-1,2,4-triazol-5-yl]-","","","","","","","","","","","","","","","","","","","","2-(Hydroxymethyl)-5-[3-(4-methoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]tetrahydrofuran-3,4-diol","","COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(O4)CO)O)O","MAXJUEAKWIHQBA-UHFFFAOYSA-N","375985",NA,"PDBC52065","656351","Present"
-"Pyrazineamine, sodium salt","","","","","","","","","","","","","","","","","","","","PYRAZINE DIAZOHYDROXIDE","","C1=CN=C(C=N1)NN=O.[Na+]","ITIRENQGPSHVEU-UHFFFAOYSA-N","21115184",NA,"PDBC52066","361456","Present"
-"Pyrazinecarbonitrile, 3-chloro-5-(dichloromethyl)-","","","","","","","","","","","","","","","","","","","","Pyrazinecarbonitrile, 3-chloro-5-(dichloromethyl)-","","C1=C(N=C(C(=N1)C#N)Cl)C(Cl)Cl","GYBZCEWRLOKTNT-UHFFFAOYSA-N","296636",NA,"PDBC52067","167063","Present"
-"Pyrazino[1,2-a]benzimidazole, 3-(4-chlorophenyl)-1-methyl-","","","","","","","","","","","","","","","","","","","","Pyrazino[1,2-a]benzimidazole, 3-(4-chlorophenyl)-1-methyl-","","CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl","DXWQHDWBGAZUQA-UHFFFAOYSA-N","384470",NA,"PDBC52068","674272","Present"
-"Pyrazino[2,3-b]quinolin-10-amine","","","","","","","","","","","","","","","","","","","","Pyrazino[2,3-b]quinolin-10-amine","","C1=CC=C2C(=C1)C(=C3C(=N2)N=CC=N3)N","VUYGZHXOMBSURO-UHFFFAOYSA-N","374034",NA,"PDBC52069","651213","Present"
-"Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetramine","","","","","","","","","","","","","","","","","","","","Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetramine","","C1=C2C(=CC3=C1N=C(C(=N3)N)N)N=C(C(=N2)N)N","XNZLTAGZYFEYRE-UHFFFAOYSA-N","381315",NA,"PDBC52070","667757","Present"
-"Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetrol","","","","","","","","","","","","","","","","","","","","Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetrol","","C1=C2C(=CC3=C1NC(=O)C(=O)N3)NC(=O)C(=O)N2","GPINHNZRWIWEAC-UHFFFAOYSA-N","381312",NA,"PDBC52071","667751","Present"
-"Pyrazol-F","","","","","","","","","","","","","","","","","","","","Pyrazol-F","","C1COC2=C(C=CC3=CC=CC=C32)C4=NN(C(C41)C5=CC=C(C=C5)F)C6=CC=CC=C6","LHEARDLBBOOTJF-UHFFFAOYSA-N","406270",NA,"PDBC52072","724322","Present"
-"Pyrazole","","","","","","","","","","","","","","","","","","","","PYRAZOLE","","C1=CNN=C1","WTKZEGDFNFYCGP-UHFFFAOYSA-N","1048",NA,"PDBC52073","45410","Present"
-"Pyrazole-4-carboxamide, 3-[3-(2-hydroxyethyl)-3-methyl-1-triazeno]-","","","","","","","","","","","","","","","","","","","","Pyrazole-4-carboxamide, 3-[3-(2-hydroxyethyl)-3-methyl-1...","","CN(CCO)N=NC1=C(C=NN1)C(=O)N","KNUVBPMGQSKRFH-VAWYXSNFSA-N","135545670",NA,"PDBC52074","133729","Present"
-"Pyrazolo[1,5-a]pyrimidin-2-amine, 5,7-bis(dibromomethyl)-3-nitro-","","","","","","","","","","","","","","","","","","","","Pyrazolo[1,5-a]pyrimidin-2-amine, 5,7-bis(dibromomethyl)...","","C1=C(N2C(=C(C(=N2)N)[N+](=O)[O-])N=C1C(Br)Br)C(Br)Br","SYYOLGWYVLQITD-UHFFFAOYSA-N","384486",NA,"PDBC52075","674312","Present"
-"Pyrazolo[1,5-b]pyridazine deriv. 22","","","","","","","","","","","","","","","","","","","","GW805758X","","CC(C)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3","UODXTGBFBIFREQ-UHFFFAOYSA-N","6539364",NA,"PDBC52076","756364","Present"
-"Pyrazolo[1,5-b]pyridazine deriv. 40","","","","","","","","","","","","","","","","","","","","GW811761X","","CCOC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C(F)(F)F)C=C1","WNKSRDBBYKDORB-UHFFFAOYSA-N","6539382",NA,"PDBC52077","756375","Present"
-"Pyrazolo[1,5-b]pyridazine deriv. 43","","","","","","","","","","","","","","","","","","","","GW810372X","","COC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC(=CC=C4)OC(F)(F)F)C=C1","IXSZNCPQZGGHKB-UHFFFAOYSA-N","6539385",NA,"PDBC52078","756372","Present"
-"Pyrazolo[1,5-b]pyridazine deriv. 48","","","","","","","","","","","","","","","","","","","","GW807982X","","CCOC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC(=CC(=C4)C(F)(F)F)OC)C=C1","FXUBIYKZSFWJQZ-UHFFFAOYSA-N","6539390",NA,"PDBC52079","756369","Present"
-"Pyrazolo[1,5-b]pyridazine deriv. 55","","","","","","","","","","","","","","","","","","","","GW819077X","","C1=CC=C(C=C1)C2=NN3C(=C(C=N3)C4=NC(=NC=C4)NC5=CC=CC(=C5)C(F)(F)F)C=C2","WZYFWJBVNQRGCX-UHFFFAOYSA-N","6539397",NA,"PDBC52080","756380","Present"
-"Pyrazolo[1,5-b]pyridazine deriv. 97","","","","","","","","","","","","","","","","","","","","GW832467X","","CC1=NN2C(=C(C(=N2)C3=CC=C(C=C3)C(F)(F)F)C4=NC(=NC=C4)NC5=CC6=C(C=C5)OCCO6)C=C1","JLEUOCWABWBHQW-UHFFFAOYSA-N","6539439",NA,"PDBC52081","756401","Present"
-"Pyrazolo[3,4-b]pyridine analogue 37","","","","","","","","","","","","","","","","","","","","SB-739245-AC","","CCN1CCC(CC1)CC(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=CS4","GHOXGYVOJHFBKS-UHFFFAOYSA-N","6539614",NA,"PDBC52082","756480","Present"
-"Pyrazolo[3,4-d][1,3]thiazin-6(1H)-imine, 4,7-dihydro-3-methyl-4-(4-nitrophenyl)-1-(phenylacetyl)-","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d]thiazin-6-amine, 3-methyl-4- (4-nitrop...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC4=CC=CC=C4","UIWGFTMBLUGWKZ-UHFFFAOYSA-N","376459",NA,"PDBC52083","657373","Present"
-"Pyrazolo[3,4-d][1,3]thiazin-6(1H)-imine, 4-(4-chlorophenyl)-4,7-dihydro-3-methyl-1-(phenylacetyl)-","","","","","","","","","","","","","","","","","","","","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-chloro phen...","","CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)Cl)C(=O)CC4=CC=CC=C4","LIVCFUJUIVQBNZ-UHFFFAOYSA-N","376458",NA,"PDBC52084","657372","Present"
-"Pyrazolo[4,3-h]quinazoline-3-carboxamide, 29","","","","","","","","","","","","","","","","","","","","NSC774830","","CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC(=CC=C4)N5CCN(CC5)C)C","WXCBCOGGWQFFHG-UHFFFAOYSA-N","44236107",NA,"PDBC52085","774830","Present"
-"Pyrazoloacridine","","","","","","","","","","","","","","","","","","","","PYRAZOLOACRIDINE///NSC627168","","CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC","HZCWPKGYTCJSEB-UHFFFAOYSA-N","339455",NA,"PDBC52086","366140///627168","Present"
-"Pyrazoloamine deriv","","","","","","","","","","","","","","","","","","","","pyrazoloamine deriv","","CC1=CC2=C(C=C1)C(=C3C(=NN(C3=N2)C)C)NCCCN(C)C.Cl","ZBYIZASPCAXIFS-UHFFFAOYSA-N","54606894",NA,"PDBC52087","178827","Present"
-"Pyrazolopyridazine 1","","","","","","","","","","","","","","","","","","","","GW810576X","","COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3","GBNWWXHUOVAUHT-UHFFFAOYSA-N","6539361",NA,"PDBC52088","756373","Present"
-"Pyrazolopyridazine deriv. 13","","","","","","","","","","","","","","","","","","","","SB-678557-A","","CN1CCC(CC1)C(=O)NC2=NNC3=NN=C(C=C32)C4=CC=CC=C4","DSHMUQCEERJXOA-UHFFFAOYSA-N","6539558",NA,"PDBC52089","756463","Present"
-"Pyrazolopyridazine deriv. 16","","","","","","","","","","","","","","","","","","","","SB-675259-M","","C1CC1C(=O)NC2=NNC3=NN=C(C=C32)C4=CN=CC=C4","AGSPQSKJPUNTNL-UHFFFAOYSA-N","6539561",NA,"PDBC52090","756462","Present"
-"Pyrazolopyrimidine 2","","","","","","","","","","","","","","","","","","","","GW811168X","","COC1=CC=CC(=C1)N2C3=NC=NC(=C3C=N2)NN=CC4=CC=C(C=C4)S(=O)(=O)C","WKJFLAJZSWRICW-FOKLQQMPSA-N","9604948",NA,"PDBC52091","756374","Present"
-"Pyrazomycin","","","","","","","","","","","","","","","","","","","","Pyrazofurin","","C(C1C(C(C(O1)C2=NNC(=C2O)C(=O)N)O)O)O","XESARGFCSKSFID-UHFFFAOYSA-N","135447984",NA,"PDBC52092","143095","Present"
-"Pyridazin-3(2H)-one,1-dibromo-2-oxopropyl)-5-(4-methoxyphenoxy)-","","","","","","","","","","","","","","","","","","","","Pyridazin-3(2H)-one, 4-bromo-2-(1,1-dibromo-2-oxopropyl)...","","CC(=O)C(N1C(=O)C(=C(C=N1)OC2=CC=C(C=C2)OC)Br)(Br)Br","JUBVGAJBDTUOTF-UHFFFAOYSA-N","399178",NA,"PDBC52093","709748","Present"
-"Pyridin-2-yl 6-(chloromethyl)-2-oxochromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","6-(Chloromethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid 2-pyridyl ester","","C1=CC=NC(=C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","SCFXEDNQUIBVKD-UHFFFAOYSA-N","402507",NA,"PDBC52094","716533","Present"
-"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","","","","","","","","","","","","","","","","","","","Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate","","C1=CC=C(C(=C1)C(=O)OC2=CN=CC=C2)NC3=CC(=NC=C3)C(F)(F)F","ODJBYXFDCRGEQH-UHFFFAOYSA-N","11279826",NA,"PDBC52095","726671","Present"
-"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate","","C1=CC(=CN=C1)OC(=O)C2=C(N=CC=C2)NC3=CC(=NC=C3)C(F)(F)F","MIPNSULCEZNCNG-UHFFFAOYSA-N","11617441",NA,"PDBC52096","733465","Present"
-"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]thiophene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]thiophene-3-carboxylate","","C1=CC(=CN=C1)OC(=O)C2=C(SC=C2)NC3=CC(=NC=C3)C(F)(F)F","LKBVJJVVXYYXTA-UHFFFAOYSA-N","60148085",NA,"PDBC52097","753598","Present"
-"Pyridin-3-yl 6-(chloromethyl)-2-oxochromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","6-(Chloromethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid 3-pyridyl ester","","C1=CC(=CN=C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","VUCZSKPOHXLFKP-UHFFFAOYSA-N","402505",NA,"PDBC52098","716531","Present"
-"Pyridindolol","","","","","","","","","","","","","","","","","","","","PYRIDINDOLOL","","C1=CC=C2C(=C1)C3=C(N2)C(=NC(=C3)CO)C(CO)O","VAKXHGQDPLEUTH-UHFFFAOYSA-N","5358591",NA,"PDBC52099","266530","Present"
-"Pyridine hydrobromide","","","","","","","","","","","","","","","","","","","","NSC620577","","C1=CC=NC=C1.Br","BBFCIBZLAVOLCF-UHFFFAOYSA-N","87810",NA,"PDBC52100","620577","Present"
-"Pyridine, 2,2'-(2,5-di-2-thienyl-1H-pyrrole-3,4-diyl)bis-","","","","","","","","","","","","","","","","","","","","2,5-Bis(2-thienyl)-3,4-bis(2-pyridinyl)-1H-pyrrole","","C1=CC=NC(=C1)C2=C(NC(=C2C3=CC=CC=N3)C4=CC=CS4)C5=CC=CS5","AARQLDYBNOOQDG-UHFFFAOYSA-N","380634",NA,"PDBC52101","666309","Present"
-"Pyridine, 2-(p-chlorostyryl)-4-((4-(diethylamino)-1-methylbutyl)amino)-","","","","","","","","","","","","","","","","","","","","Pyridine, 2-(p-chlorostyryl)-4-[[4-(diethylamino)-1-meth...","","CCN(CC)CCCC(C)NC1=CC(=NC=C1)C=CC2=CC=C(C=C2)Cl","FIDFDSHBKIWNIN-JLHYYAGUSA-N","5351244",NA,"PDBC52102","157389","Present"
-"Pyridine, 3-[[4-[bis(2-chloroethyl)amino]-2-methylbenzylidene]amino]-","","","","","","","","","","","","","","","","","","","","Pyridine, 3-[[4-[bis(2-chloroethyl)amino]-2-methylbenzyl...","","CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CN=CC=C2","CHMHREPQHIKYOA-UHFFFAOYSA-N","242100",NA,"PDBC52103","50273","Present"
-"Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","Pyridine, 4-[2-(phenylthio)ethyl]-, hydrochloride (8CI)","","C1=CC=C(C=C1)SCCC2=CC=NC=C2.Cl","WKFNXURMDAVCKV-UHFFFAOYSA-N","88778",NA,"PDBC52104","17776","Present"
-"Pyridine, 4-(5-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-4-methyl-1,3,4-oxadiazol-2-yl)-","","","","","","","","","","","","","","","","","","","","Pyridine, 4-(5-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-4-methyl-1,3,4-oxadiazol-2-yl)-","","CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)OC)F","OLGDESGVPRPAQJ-UHFFFAOYSA-N","382364",NA,"PDBC52105","669834","Present"
-"Pyridine, 4-(p-(dimethylamino)phenylazo)-","","","","","","","","","","","","","","","","","","","","Benzenamine, N,N-dimethyl-4-(4-pyridinylazo)- (9CI)","","CN(C)C1=CC=C(C=C1)N=NC2=CC=NC=C2","FUVJXDPEJMGTFG-UHFFFAOYSA-N","98843",NA,"PDBC52106","170600","Present"
-"Pyridine, 4-[2-(1-piperidinyl)ethyl]-","","","","","","","","","","","","","","","","","","","","Pyridine, 4-[2-(1-piperidinyl)ethyl]- (9CI)","","C1CCN(CC1)CCC2=CC=NC=C2","ICBUOQBBEUSCAJ-UHFFFAOYSA-N","83476",NA,"PDBC52107","163398","Present"
-"Pyridine,3-dimethyl-1-triazenyl)-2,3-dimethyl-, 1-oxide","","","","","","","","","","","","","","","","","","","","Pyridine, 4-(3,3-dimethyl-1-triazenyl)-2,3-dimethyl-, 1-...","","CC1=C(C=C[N+](=C1C)[O-])N=NN(C)C","FZLNNOSUGLWXDB-UHFFFAOYSA-N","3758846",NA,"PDBC52108","255095","Present"
-"Pyridine-2,4,6-tricarboxylic acid","","","","","","","","","","","","","","","","","","","","2,4,6-Pyridinetricarboxylic acid","","C1=C(C=C(N=C1C(=O)O)C(=O)O)C(=O)O","CHGYKYXGIWNSCD-UHFFFAOYSA-N","345552",NA,"PDBC52109","403251","Present"
-"Pyridine-2-carboxaldehyde, 3-hydroxy-, thiosemicarbazone","","","","","","","","","","","","","","","","","","","","3-HP","","C1=CC(=C(N=C1)C=NNC(=S)N)O","ISFBDLBZPVCEKD-ONNFQVAWSA-N","135429832",NA,"PDBC52110","95678","Present"
-"Pyridine-3,5-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","dinicotinic acid","","C1=C(C=NC=C1C(=O)O)C(=O)O","MPFLRYZEEAQMLQ-UHFFFAOYSA-N","10366",NA,"PDBC52111","6497","Present"
-"Pyridine-4-Cl","","","","","","","","","","","","","","","","","","","","Pyridine-4-Cl","","C1C2=C(C(=C(N=C2C3=C(O1)C=CC(=C3)F)N)C#N)C4=CC=C(C=C4)Cl","IOOHXBGSKFRSQT-UHFFFAOYSA-N","11515859",NA,"PDBC52112","729302","Present"
-"Pyridine-4-methanol, monophosphate salt","","","","","","","","","","","","","","","","","","","","Pyridine-4-methanol, .alpha.-(2-piperidyl)-2-(trifluoro ...","","C1CCNC(C1)C(C2=CC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.OP(=O)(O)O","YCAFBJQXADKUSD-UHFFFAOYSA-N","328146",NA,"PDBC52113","305800","Present"
-"Pyridine;2-pyridin-1-ium-1-ylacetate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC164892","","C1=CC=NC=C1.C1=CC=[N+](C=C1)CC(=O)[O-].Cl","RRMUPIWOUXZEAT-UHFFFAOYSA-N","24194152",NA,"PDBC52114","164892","Present"
-"Pyridinium, 1-(cyanoboryl)-4-[[2-(2,2,2-trifluoroethyl)hydrazino]carbonyl]-","","","","","","","","","","","","","","","","","","","","Pyridinium, 1-(cyanoboryl)-4-[[2-(2,2,2-trifluoroethyl)hydrazino]carbonyl]-","","","","",NA,"PDBC52115","676927","Present"
-"Pyridinium, 1-(cyanoboryl)-4-[[2-(phenylmethyl)hydrazino]carbonyl]-","","","","","","","","","","","","","","","","","","","","Pyridinium, 1-(cyanoboryl)-4-[[2-(phenylmethyl)hydrazino]carbonyl]-","","","","",NA,"PDBC52116","697117","Present"
-"Pyridinium, 1-[2-[(2E)-2-[1-[(3-hydroxy-6-nitro-2-quinoxalinyl)methyl]-2-oxo-2-[(2,4,5-trichlorophenyl)amino]ethylidene]hydrazino]-2-oxoethyl]-, chloride","","","","","","","","","","","","","","","","","","","","(2E)-3-(6-Nitro-3-oxo-4H-quinoxalin-2-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]-N-(2,4,5-trichlorophenyl)propanamide;chloride","","C1=CC=[N+](C=C1)CC(=O)NN=C(CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)NC4=CC(=C(C=C4Cl)Cl)Cl.[Cl-]","NJRYGWDDLCWIIQ-UHFFFAOYSA-N","9571775",NA,"PDBC52117","649584","Present"
-"Pyridinium, 4-(4-methoxyphenyl)-1-(4-methylphenyl)- 2,6-...","","","","","","","","","","","","","","","","","","","","Pyridinium, 4-(4-methoxyphenyl)-1-(4-methylphenyl)- 2,6-...","","","","",NA,"PDBC52118","617743","Present"
-"Pyridinium,3'-(bicyclo[2.2.2]octane-1,4-diylbis(carbonylimino-4,1-phenylenecarbonylimino))bis(1-methyl-, salt with 4-methyl-benzenesulfonic acid (1:2)","","","","","","","","","","","","","","","","","","","","Pyridinium, 3,3'-(bicyclo[2.2.2]octane-1,4-diylbis(carbo...","","CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C34CCC(CC3)(CC4)C(=O)NC5=CC=C(C=C5)C(=O)NC6=C[N+](=CC=C6)C","ZYVMSEBOQYNDFF-UHFFFAOYSA-O","54607338",NA,"PDBC52119","263663","Present"
-"Pyridinium,3-benzodioxol-5-yl)ethenyl]-1-methyl-, iodide","","","","","","","","","","","","","","","","","","","","Pyridinium, 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-1-methyl...","","C[N+]1=CC=CC=C1C=CC2=CC3=C(C=C2)OCO3.[I-]","YHMFHCXWXICWQW-GZOLSCHFSA-M","14513517",NA,"PDBC52120","166430","Present"
-"Pyridinium-[carbonyltetrachloropyridineruthenate(III)]","","","","","","","","","","","","","","","","","","","","Pyridinium-[carbonyltetrachloropyridineruthenate(III)]","","","","",NA,"PDBC52121","631483","Present"
-"Pyridino(1,2-a)imidazo(5,4-b)indole","","","","","","","","","","","","","","","","","","","","1,2-Piid","","C1=CC=C2C(=C1)C3=C(N2)N4C=CC=CC4=N3","PFKQNBQQGPVKNR-UHFFFAOYSA-N","100767",NA,"PDBC52122","363438","Present"
-"Pyrido(4',3':4,5)imidazo(1,2-c)(1,2,3)benzotriazine","","","","","","","","","","","","","","","","","","","","Pyrido[4',3':4,5]imidazo[1,2-c][1,2,3]benzotriazine","","C1=CC=C2C(=C1)C3=NC4=C(N3N=N2)C=NC=C4","DGKJAQSECLEWLA-UHFFFAOYSA-N","278806",NA,"PDBC52123","128734","Present"
-"Pyrido[1,2-a]benzimidazole","","","","","","","","","","","","","","","","","","","","Pyrido[1,2-a]benzimidazole","","C1=CC=C2C(=C1)N=C3N2C=CC=C3","FODVQKYUAIWTKY-UHFFFAOYSA-N","378348",NA,"PDBC52124","660430","Present"
-"Pyrido[2',5]pyrimido[1,2-a]indole-5,11-dione, 9-(3,6,9,12-tetraoxatridec-1-yloxy)-","","","","","","","","","","","","","","","","","","","","Pyrido[2',3':4,5]pyrimido[1,2-a]indole-5,11-dione, 9-(3,...","","COCCOCCOCCOCCOC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=CC=N4)C2=O","WZEKKKDZKOCTGU-UHFFFAOYSA-N","45028403",NA,"PDBC52125","742553","Present"
-"Pyrido[2,3-d]pyrimidine-6-carbonitrile, 4-amino-7-(1-pyrrolidinyl)-","","","","","","","","","","","","","","","","","","","","Pyrido[2,3-d]pyrimidine-6-carbonitrile, 4-amino-7-(1-pyrrolidinyl)-","","C1CCN(C1)C2=NC3=NC=NC(=C3C=C2C#N)N","SEBLPEDGWOYJLM-UHFFFAOYSA-N","382724",NA,"PDBC52126","670395","Present"
-"Pyrido[2,4-diamine, 6-[[(2,3,4-trichlorophenyl)amino]methyl]-5-methyl-, 1/4 acetate","","","","","","","","","","","","","","","","","","","","Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(2,3,4- trichlo...","","CC1=C2C(=NC(=NC2=NC=C1CNC3=C(C(=C(C=C3)Cl)Cl)Cl)N)N.CC(=O)O","ZJXQEVDAMMVQNX-UHFFFAOYSA-N","380970",NA,"PDBC52127","666787","Present"
-"Pyrido[2,4-diamine, 6-[[(4-methoxy-phenyl)amino]methyl]-5-methyl-, 3/5 methanol","","","","","","","","","","","","","","","","","","","","Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(4-methoxy- phe...","","CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=C(C=C3)OC)N)N.CO","OUZPNTYSZYNISU-UHFFFAOYSA-N","380968",NA,"PDBC52128","666783","Present"
-"Pyrido[3'',5']pyrrolo[2',3':5,6]pyrido[3,4-b]indole, dihydrochloride","","","","","","","","","","","","","","","","","","","","Pyrido[3'',2'':4',5']pyrrolo[2',3':5,6]pyrido[3,4-b]indo...","","C1=CC=C2C(=C1)C3=C4C(=NC=C3N2)C5=C(N4)N=CC=C5.Cl","TUPKOVDLKUIMSS-UHFFFAOYSA-N","362409",NA,"PDBC52129","626175","Present"
-"Pyrido[4',3':4,5]pyrimido[1,2-a]indole-6,12-dione, 8-(2-octyl)-","","","","","","","","","","","","","","","","","","","","Pyrido[4',3':4,5]pyrimido[1,2-a]indole-6,12-dione, 8-(2-...","","CCCCCCC(C)C1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=NC=C4)C2=O","MWVLTABHKRFJTM-UHFFFAOYSA-N","391213",NA,"PDBC52130","690073","Present"
-"Pyrido[4',3':5,6]azepino[3,2,1-kl]phenothiazin-15(5H)-one","","","","","","","","","","","","","","","","","","","","Pyrido[4',3':5,6]azepino[3,2,1-kl]phenothiazin-15(5H)-one","","C1C2=C3C(=CC=C2)SC4=CC=CC=C4N3C(=O)C5=C1C=CN=C5","AFURCCGPBRWDMB-UHFFFAOYSA-N","373415",NA,"PDBC52131","649675","Present"
-"Pyridoclax","","","","","","","","","","","","","","","","","","","","pyridoclax","","CC1=CC(=CN=C1C2=CN=CC=C2)C3=C(C=C(C=N3)C4=CN=CC=C4)C=CC5=CC=CC=C5","WGGSYXQFYRWBEC-VAWYXSNFSA-N","92042827",NA,"PDBC52132","783916","Present"
-"Pyridone 6","","","","","","","","","","","","","","","","","JAK Inhibitor I","","","","","","","5494425",NA,"PDBC52133","","Absent"
-"Pyridone-4-CH3","","","","","","","","","","","","","","","","","","","","Pyridone-4-CH3","","CC1=CC=C(C=C1)C2=C(C(=O)NC3=C2COC4=C3C=C(C=C4)F)C#N","MOTPMZYLWZXSAG-UHFFFAOYSA-N","11530049",NA,"PDBC52134","729297","Present"
-"Pyridone-F","","","","","","","","","","","","","","","","","","","","Pyridone-F","","C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(C(C(=O)N4)C#N)C5=CC=C(C=C5)F","LSXSWTJDXWXHHY-UHFFFAOYSA-N","406272",NA,"PDBC52135","724324","Present"
-"Pyridone-OCH3","","","","","","","","","","","","","","","","","","","","Pyridone-OCH3","","COC1=CC=C(C=C1)C2C(C(=O)NC3=C2CCOC4=C3C=CC5=CC=CC=C54)C#N","ANROXNGNZMQLSE-UHFFFAOYSA-N","406273",NA,"PDBC52136","724325","Present"
-"Pyridone-triOCH3","","","","","","","","","","","","","","","","","","","","Pyridone-triOCH3","","COC1=CC(=CC(=C1OC)OC)C2C(C(=O)NC3=C2CCOC4=C3C=CC5=CC=CC=C54)C#N","HQCRZXNIWBQGSF-UHFFFAOYSA-N","406274",NA,"PDBC52137","724326","Present"
-"Pyridostigmine bromide","","","","","","","","","","","","","","","","","","","","Pyridostigmine bromide","","C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-]","VNYBTNPBYXSMOO-UHFFFAOYSA-M","7550",NA,"PDBC52138","679759","Present"
-"Pyridovericin","","","","","","","","","","","","","","","","","","","","Pyridovericin","","CCC(CO)C=C(C)C=CC(=O)C1=C(C(=CNC1=O)C2=CC=C(C=C2)O)O","RZNMCGWGYUMEOL-HTKXOECOSA-N","54697562",NA,"PDBC52139","753974","Present"
-"Pyridoxamine hydrochloride","","","","","","","","","","","","","","","","","","","","Pyridoxamine dichlorohydrate","","CC1=NC=C(C(=C1O)CN)CO.Cl","PFIPZKASKUWLHH-UHFFFAOYSA-N","216452",NA,"PDBC52140","21278","Present"
-"Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-","","","","","","","","","","","","","","","","","","","","Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-","","COC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N)O","GLDFNTGFJVLYJO-UHFFFAOYSA-N","386505",NA,"PDBC52141","678880","Present"
-"Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-N-(phenylmethylene)-","","","","","","","","","","","","","","","","","","","","Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-pheny...","","COC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N=CC4=CC=CC=C4)O","MYTFQVYDIFUCFS-XYGWBWBKSA-N","135509206",NA,"PDBC52142","678882","Present"
-"Pyrimidin-2-amine, 4-(5-chloro-2-hydroxyphenyl)-6-phenyl-N-(phenylmethylene)-","","","","","","","","","","","","","","","","","","","","Pyrimidin-2-amine, 4-(5-chloro-2-hydroxyphenyl)-6-phenyl...","","C1=CC=C(C=C1)C=NC2=NC(=CC(=N2)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4","USNSTUWNPYHROR-MFKUBSTISA-N","135509207",NA,"PDBC52143","678883","Present"
-"Pyrimidine, 2,2'-(o-chlorobenzylidenediimino)di-","","","","","","","","","","","","","","","","","","","","LS-134899","","C1=CC=C(C(=C1)C(NC2=NC=CC=N2)NC3=NC=CC=N3)Cl","KSFDBUHAYBQMJP-UHFFFAOYSA-N","100181",NA,"PDBC52144","357650","Present"
-"Pyrimidine, 2,4,5-trichloro-6-isopropyl-","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2,4,5-trichloro-6-isopropyl-","","CC(C)C1=C(C(=NC(=N1)Cl)Cl)Cl","LIMLIYISTWYZKT-UHFFFAOYSA-N","246017",NA,"PDBC52145","58575","Present"
-"Pyrimidine, 2,4,6-trichloro-5-pentyl-","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2,4,6-trichloro-5-pentyl-","","CCCCCC1=C(N=C(N=C1Cl)Cl)Cl","ODIFFIIRIFKTLN-UHFFFAOYSA-N","260783",NA,"PDBC52146","92497","Present"
-"Pyrimidine, 2-((2,4-dinitrophenyl)thio)-","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2-((2,4-dinitrophenyl)thio)-","","C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","UDWLPPBHVNQRBL-UHFFFAOYSA-N","163121",NA,"PDBC52147","302584","Present"
-"Pyrimidine, 2-amino-4-(p-iodoanilino)-6-(methylamino)-5-nitroso-","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2-amino-4-(p-iodoanilino)-6-(methylamino)-5-...","","CNC1=C(C(=NC(=N1)N)NC2=CC=C(C=C2)I)N=O","QCQZJSPCMYXMAZ-UHFFFAOYSA-N","251709",NA,"PDBC52148","72369","Present"
-"Pyrimidine, 4-amino-2,6-dibenzyl-5-phenyl-","","","","","","","","","","","","","","","","","","","","YYHHGERFHBNSHG-UHFFFAOYSA-N","","C1=CC=C(C=C1)CC2=C(C(=NC(=N2)CC3=CC=CC=C3)N)C4=CC=CC=C4","YYHHGERFHBNSHG-UHFFFAOYSA-N","412805",NA,"PDBC52149","41663","Present"
-"Pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(2,4-dichlorophenylaminomethylene)-1,3-dimethyl-","","","","","","","","","","","","","","","","","","","","1,3-Dimethyl-5-(2,4-dichloro-phenylaminomethylene-barbit...","","CN1C(=C(C(=O)N(C1=O)C)C=NC2=C(C=C(C=C2)Cl)Cl)O","CLQJZUKORANXET-UHFFFAOYSA-N","387477",NA,"PDBC52150","681280","Present"
-"Pyrimidine-2-amine, 5-chloro-6-(2-hydroxy-5-chlorophenyl)-4-phenyl-","","","","","","","","","","","","","","","","","","","","Pyrimidine-2-amine, 5-chloro-6-(2-hydroxy-5-chlorophenyl...","","C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)C3=C(C=CC(=C3)Cl)O)Cl","ASVMCLHZCMJDDQ-UHFFFAOYSA-N","359847",NA,"PDBC52151","621457","Present"
-"Pyrimidineacetaldehyde derivative","","","","","","","","","","","","","","","","","","","","Pyrimidineacetaldehyde derivative","","C1=C(C(=O)NC(=O)N1)C(C=O)OC(CO)C=O","PWWIIFIZPARHSJ-CAHLUQPWSA-N","5358942",NA,"PDBC52152","291643","Present"
-"Pyrimido[4',5':4,5][1,3]thiazolo[3,2-a]benzimidazol-4-amine","","","","","","","","","","","","","","","","","","","","8-Thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,9,11,13,15-heptaen-6-amine","","C1=CC=C2C(=C1)N=C3N2C4=NC=NC(=C4S3)N","OJXSBPHOWSWSAT-UHFFFAOYSA-N","392242",NA,"PDBC52153","692378","Present"
-"Pyrimido[4',5':4,5]thiazolo[3,2-a]benzimidazol-4(3H)-one","","","","","","","","","","","","","","","","","","","","Pyrimido[4',5':4,5]thiazolo[3,2-a]benzimidazol-4(3H)-one","","C1=CC=C2C(=C1)N=C3N2C4=C(S3)C(=O)NC=N4","GCPRYDQCUMYEBC-UHFFFAOYSA-N","135489896",NA,"PDBC52154","692379","Present"
-"Pyrimido[4,4-diamine, 7-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-","","","","","","","","","","","","","","","","","","","","Pyrimido[4,5-b]quinoline-2,4-diamine, 7-(2,5-dimethoxyph...","","COC1=CC(=C(C=C1)OC)C2CCC3=NC4=NC(=NC(=C4C=C3C2)N)N","QJVOFYKQGZCPMC-UHFFFAOYSA-N","401167",NA,"PDBC52155","714363","Present"
-"Pyrimine, dihydrochloride","","","","","","","","","","","","","","","","","","","","Pyrimine, dihydrochloride","","C1=CC=NC(=C1)C(=O)CCC(C(=O)O)N.Cl","CWDKREOVXKFQSU-UHFFFAOYSA-N","54606744",NA,"PDBC52156","144227","Present"
-"Pyrizinostatin","","","","","","","","","","","","","","","","","","","","Pyrizinostatin","","CC(=O)CC12C(=NN(C(=O)N1)C)N(C(=O)N(C2=O)C)C","HUZNODILVCXFIG-UHFFFAOYSA-N","127007",NA,"PDBC52157","660427","Present"
-"Pyroangolensolide","","","","","","","","","","","","","","","","","","","","Pyroangolensolide","","CC1=CCCC2(C1=CC(=O)OC2C3=COC=C3)C","PFXGEOGHUCCQPU-LSDHHAIUSA-N","396690",NA,"PDBC52158","703219","Present"
-"Pyrocatechol,4'-(meso-1,2-diethylethylene)di-","","","","","","","","","","","","","","","","","","","","3,3'-dihydroxyhexestrol","","CCC(C1=CC(=C(C=C1)O)O)C(CC)C2=CC(=C(C=C2)O)O","SQJDIVYCVVFMOZ-KBPBESRZSA-N","92156437",NA,"PDBC52159","35753","Present"
-"Pyrodelphinine","","","","","","","","","","","","","","","","","","","","Pyrodelphinine","","CN1CC2(CCC(C34C2C(C(C31)C5=CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)O)OC)OC)OC)COC","LFJVGOYFLDASBE-UHFFFAOYSA-N","431677",NA,"PDBC52160","295661","Present"
-"Pyronaridine phosphate","","","","","","","","","","","","","","","","","","","","Pyronaridine Phosphate","","COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6.OP(=O)(O)O","AFQUPAGSIINWCQ-UHFFFAOYSA-N","135801425",NA,"PDBC52161","759834","Present"
-"Pyronine B","","","","","","","","","","","","","","","","","","","","pyronin b","","CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]","CXZRDVVUVDYSCQ-UHFFFAOYSA-M","16524",NA,"PDBC52162","44690","Present"
-"Pyrophen","","","","","","","","","","","","","","","","","","","","Pyrophen","","CC(=O)NC(CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC","VFMQMACUYWGDOJ-UHFFFAOYSA-N","370342",NA,"PDBC52163","643342","Present"
-"Pyrophosphate sodium salt","","","","","","","","","","","","","","","","","","","","tspp","","OP(=O)(O)OP(=O)(O)O.[Na+]","YIVJSMIYMAOVSJ-UHFFFAOYSA-N","22630756",NA,"PDBC52164","56751","Present"
-"Pyrrolidin-1-yl-[4-(trifluoromethyl)phenyl]diazene","","","","","","","","","","","","","","","","","","","","N-(4-Trifluoromethylphenylazo)pyrrolidine","","C1CCN(C1)N=NC2=CC=C(C=C2)C(F)(F)F","AADGQEUMOVPMFD-UHFFFAOYSA-N","390395",NA,"PDBC52165","687749","Present"
-"Pyrrolidinium, ethyl sulfate","","","","","","","","","","","","","","","","","","","","Pyrrolidinium, 1-ethyl-1-hexadecyl-, ethyl sulfate","","CCCCCCCCCCCCCCCC[N+]1(CCCC1)CC.CCOS(=O)(=O)[O-]","PBKZHUDIUKNEIP-UHFFFAOYSA-M","21144597",NA,"PDBC52166","186266","Present"
-"Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, bromide","","","","","","","","","","","","","","","","","","","","wln: t6nj c- bt5ktj a1 a2- at5ktj a1 b- ct6nj &q 2 &i 2","","C[N+]1(CCCC1C2=CN=CC=C2)CC[N+]3(CCCC3C4=CN=CC=C4)C","MJRIWDXWCJJQJG-UHFFFAOYSA-N","110653",NA,"PDBC52167","3284","Present"
-"Pyrrolidinium,1-(5-carboxypentyl)-1-[2-[2-[3-(octadecyloxy)-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl]-,inner salt","","","","","","","","","","","","","","","","","","","","Pyrrolidinium, N-(5-carboxypentyl)-N- [2-[2-[3-(octadecy...","","CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCC1)CCCCCC(=O)[O-])OC2=NC=CC=N2","AKLBMELLFAFCPP-UHFFFAOYSA-N","360861",NA,"PDBC52168","623527","Present"
-"Pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidine, 15","","","","","","","","","","","","","","","","","","","","GSK238063A","","CN(C)C(=O)OC1CC(NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","YEIAMNOHYKXSFB-FPOVZHCZSA-N","25263274",NA,"PDBC52169","756168","Present"
-"Pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidine, 6d","","","","","","","","","","","","","","","","","","","","GSK182497A","","CN(C)C(=O)OC1CC(NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","YEIAMNOHYKXSFB-TZIWHRDSSA-N","11273032",NA,"PDBC52170","756148","Present"
-"Pyrrolo[1,2-a]quinoxalin-4-amine, N-(3,4,5-trimethoxyphenyl)-","","","","","","","","","","","","","","","","","","","","Pyrrolo[1,2-a]quinoxalin-4-amine, N-(3,4,5-trimethoxyphenyl)-","","COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3N4C2=CC=C4","RJZINLKYNXMNPF-UHFFFAOYSA-N","400205",NA,"PDBC52171","711723","Present"
-"Pyrrolo[2,2,4]triazine-4-amine, 7-beta-D-ribofuranosyl-","","","","","","","","","","","","","","","","","","","","Pyrrolo[2,1-f][1,2,4]triazine-4-amine, 7-.beta.-D-ribofu...","","C1=C(N2C(=C1)C(=NC=N2)N)C3C(C(C(O3)CO)O)O","IGZFWIAREXANMY-UHFFFAOYSA-N","379557",NA,"PDBC52172","664236","Present"
-"Pyrrolo[2,7-dimethanol, 5-(3,4-dichloro phenyl)-, bis(methylcarbamate) (ester)","","","","","","","","","","","","","","","","","","","","Pyrrolo[2,1-b]thiazole-6,7-dimethanol, 5-(3,4-dichloro p...","","CNC(=O)OCC1=C(N2CCSC2=C1COC(=O)NC)C3=CC(=C(C=C3)Cl)Cl","QKQIGVVOCMNRQP-UHFFFAOYSA-N","342837",NA,"PDBC52173","380725","Present"
-"Pyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione, 2-(4-chlorophenyl)-10-phenyl-","","","","","","","","","","","","","","","","","","","","Pyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione, 2-(4-chlorophenyl)-10-phenyl-","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)Cl","WSIPNSVBXFVYBW-UHFFFAOYSA-N","364262",NA,"PDBC52174","630261","Present"
-"Pyrrolyl Aryl Sulfone (PAS) 8t","","","","","","","","","","","","","","","","","","","","Pyrrolyl Aryl Sulfone (PAS) 8t","","CCC(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC","UCQSWSSAMLXKRN-UHFFFAOYSA-N","393144",NA,"PDBC52175","694557","Present"
-"Pyruvaldehyde bis(N4,N4-dimethylthiosemicarbazone)","","","","","","","","","","","","","","","","","","","","ptsm","","CC(=NNC(=S)NC)C=NNC(=S)NC","VEXRMMJOMMTPKJ-ZVSIBQGLSA-N","9552058",NA,"PDBC52176","23345","Present"
-"Pyrylium,6-dimethyl-, bromide","","","","","","","","","","","","","","","","","","","","Pyrylium, 4-[(p-bromophenacyl)thio]-2,6-dimethyl-, bromide","","CC1=CC(=CC(=[O+]1)C)SCC(=O)C2=CC=C(C=C2)Br.[Br-]","DJIXRTQOKOBDLT-UHFFFAOYSA-M","5351609",NA,"PDBC52177","2941","Present"
-"Pz-1, >=98% (HPLC)","","","","","","","","","","","","","","","","","","","","NSC792733","","CC(C)(C)C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)C5=CN(N=C5)C","NJLMIILZNLZZFW-UHFFFAOYSA-N","102004343",NA,"PDBC52178","792733","Present"
-"Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone","","","","","","","","","","","","","","","","","","","","3-{[Bis(2-chloroethyl)amino]methyl}-4-hydroxynaphthalene-1,2-dione","","C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CN(CCCl)CCCl)O","BFVCSGYCKMCYOP-UHFFFAOYSA-N","233507",NA,"PDBC52179","32079","Present"
-"Q22579236","","","","","","","","","","","","","","","","","","","","Q22579236","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC(=C(C=C5)Cl)Cl","GDGXJFJBRMKYDL-FYWRMAATSA-N","5351382",NA,"PDBC52180","640584","Present"
-"Q27102617","","","","","","","","","","","","","","","","","","","","Q27102617","","CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C","MMNYKQIDRZNIKT-YLANKJTKSA-N","390622",NA,"PDBC52181","688223","Present"
-"Q27163024","","","","","","","","","","","","","","","","","","","","Q27163024","","CC1(C(CC2=C(O1)C3=CC=CC=C3C(=O)C2=O)Br)C","AUROYOJYCLWCML-UHFFFAOYSA-N","264070",NA,"PDBC52182","98916","Present"
-"Q27183503","","","","","","","","","","","","","","","","","","","","Q27183503","","CC1=CC(=C(C(=C1)Br)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)Br","UEQJYROUYRYTFG-UHFFFAOYSA-N","342632",NA,"PDBC52183","379880","Present"
-"Q27183738","","","","","","","","","","","","","","","","","","","","Q27183738","","C12=C(N=C(C(=N1)Cl)Cl)N=C(N2)C(=O)O","YXRXEPZMAPZYMM-UHFFFAOYSA-N","5383687",NA,"PDBC52184","182400","Present"
-"Q27183878","","","","","","","","","","","","","","","","","","","","Q27183878","","CC1=NC=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl","UGOAVFCPVAZKHK-UHFFFAOYSA-N","342499",NA,"PDBC52185","379468","Present"
-"Q27185245","","","","","","","","","","","","","","","","","","","","Q27185245","","C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O","MXKJSOMQCBHQQL-UHFFFAOYSA-N","307406",NA,"PDBC52186","205511","Present"
-"Q27188657","","","","","","","","","","","","","","","","","","","","Q27188657","","CCNC(=S)N=NC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])O","CHQYIZFPXOODLW-UHFFFAOYSA-N","3572483",NA,"PDBC52187","716764","Present"
-"Q27190806","","","","","","","","","","","","","","","","","","","","Q27190806","","CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)OC","FJBXOQUCCBQUIY-UHFFFAOYSA-N","2730951",NA,"PDBC52188","695326","Present"
-"Q27192528","","","","","","","","","","","","","","","","","","","","Q27192528","","CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCCCCC3","ULJXJASKIKRWKU-UHFFFAOYSA-N","322919",NA,"PDBC52189","281383","Present"
-"Q27453567","","","","","","","","","","","","","","","","","","","","Q27453567","","C1=CC(=CC=C1CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)F","HUDWVBGXXJRCNV-UHFFFAOYSA-N","390820",NA,"PDBC52190","688822","Present"
-"Q27458104","","","","","","","","","","","","","","","","","","","","Q27458104","","COC1=CC2=C(C=C1)C3=C(N2CCCCN)C(=NC=C3)C(F)(F)F","JVBWXORXTBDUMH-UHFFFAOYSA-N","54613080",NA,"PDBC52191","750400","Present"
-"Q27894422","","","","","","","","","","","","","","","","","","","","Q27894422","","C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","PJKDVDQLFSFEBL-UHFFFAOYSA-N","54680473",NA,"PDBC52192","208758","Present"
-"Q48V0948P7","","","","","","","","","","","","","","","","","","","","Q48V0948P7","","C(C1=NC(=NC(=N1)N)N)C(=O)O","OGRURUKWBQLASB-UHFFFAOYSA-N","265620",NA,"PDBC52193","101828","Present"
-"Q63408823","","","","","","","","","","","","","","","","","","","","Q63408823","","COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)OC)O","IFHXSMSQHPVVSF-UHFFFAOYSA-N","265699",NA,"PDBC52194","102029","Present"
-"QFPGKQYYQDTOFV-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","QFPGKQYYQDTOFV-UHFFFAOYSA-N","","C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC=C(S2)[N+](=O)[O-]","QFPGKQYYQDTOFV-UHFFFAOYSA-N","298930",NA,"PDBC52195","171303","Present"
-"QLZ45PX3T1","","","","","","","","","","","","","","","","","","","","QLZ45PX3T1","","C1=CC=C2C(=C1)NC3(S2)NC(=O)C(=O)C(=O)N3","CGJVHUCSRFVPHE-UHFFFAOYSA-N","234858",NA,"PDBC52196","35580","Present"
-"QN108","","","","","","","","","","","","","","","","","","","","QN108","","CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NCC3=CC(=C(C(=C3)OC)OC)OC","RDDVYYTYENBKFJ-UHFFFAOYSA-N","385739",NA,"PDBC52197","677090","Present"
-"QN131","","","","","","","","","","","","","","","","","","","","QN131","","COC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","ORNCQZVTQNFZTO-UHFFFAOYSA-N","386964",NA,"PDBC52198","680191","Present"
-"QN149","","","","","","","","","","","","","","","","","","","","QN149","","CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)OC","NGHQVTYJNRSZQH-UHFFFAOYSA-N","387139",NA,"PDBC52199","680555","Present"
-"QN6S3B7ZA5","","","","","","","","","","","","","","","","","","","","QN6S3B7ZA5","","CC1=CC2=C(C=C1)N(C3=C([Sn]2(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C3)C)C","NOVNZOOEIFHILE-UHFFFAOYSA-N","419766",NA,"PDBC52200","118030","Present"
-"QRPKNPKHGNUFGK-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","QRPKNPKHGNUFGK-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4","QRPKNPKHGNUFGK-UHFFFAOYSA-N","239794",NA,"PDBC52201","45382","Present"
-"QSWDLZWLBGEPJH-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","QSWDLZWLBGEPJH-UHFFFAOYSA-N","","C1=CC=C(C=C1)C23C(C4=CC=CC=C4C2=O)OC(=O)N3C5=CC=CC=C5","QSWDLZWLBGEPJH-UHFFFAOYSA-N","389836",NA,"PDBC52202","686468","Present"
-"QXARHNVPFNXOJM-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","QXARHNVPFNXOJM-UHFFFAOYSA-N","","CC(=O)N(C)CCC1=CNC2=CC=CC=C21","QXARHNVPFNXOJM-UHFFFAOYSA-N","383154",NA,"PDBC52203","671200","Present"
-"QXSRLZYSIFQJJS-UKTHLTGXSA-N","","","","","","","","","","","","","","","","","","","","QXSRLZYSIFQJJS-UKTHLTGXSA-N","","COC1=C(C=C(C=C1)C=C(C#N)C2=CC=CC=N2)OC","QXSRLZYSIFQJJS-UKTHLTGXSA-N","5467797",NA,"PDBC52204","659321","Present"
-"Qingyangshengenin","","","","","","","","","","","","","","","","","","","","Quingyangshengenin","","CC(=O)C1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C5=CC=C(C=C5)O)C)O)O","IMRGSWAJVVVYOW-UHFFFAOYSA-N","435955",NA,"PDBC52205","379666","Present"
-"Quercetin, dihydro-","","","","","","","","","","","","","","","","","","","","taxifolin","","C1=CC(=C(C=C1C2C(C(=O)C3=CC(=C(C=C3O2)O)O)O)O)O","JIVANWVLNGMSOX-LSDHHAIUSA-N","54603556",NA,"PDBC52206","36398","Present"
-"Quettamine","","","","","","","","","","","","","","","","","","","","QUETTAMINE","","C[N+]1(CCC2=C3C1C(OC3=C(C=C2)OC)C4=CC=C(C=C4)O)C.[I-]","VCPBPWIUAQRYEF-CJRXIRLBSA-N","5458827",NA,"PDBC52207","357090","Present"
-"Quinacrine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC14229///NSC757307","","CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl","UKZANTJXIMWQCH-UHFFFAOYSA-N","5351141",NA,"PDBC52208","14229///757307","Present"
-"Quinaldine blue","","","","","","","","","","","","","","","","","","","","Quinaldine Blue","","CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[Cl-]","FVMNARAKYNRZID-UHFFFAOYSA-M","54712667",NA,"PDBC52209","56808","Present"
-"Quinaldopeptin","","","","","","","","","","","","","","","","","","","","Quinaldopeptin","","CC1C(C(=O)N2CCCCC2C(=O)NCC(=O)N(CC(=O)N3CCCCC3C(=O)NC(C(C(=O)N4CCCCC4C(=O)NCC(=O)N(CC(=O)N5CCCCC5C(=O)N1)C)NC(=O)C6=NC7=CC=CC=C7C=C6O)C)C)NC(=O)C8=NC9=CC=CC=C9C=C8O","KIPSHYPQCJYONU-GVPFWXHKSA-N","5466698",NA,"PDBC52210","641261","Present"
-"Quinalizarin","","","","","","","","","","","","","","","","","","","","quinalizarin","","C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O","VBHKTXLEJZIDJF-UHFFFAOYSA-N","5004",NA,"PDBC52211","4896","Present"
-"Quinapyramine dichloride","","","","","","","","","","","","","","","","","","","","Antrycide chloride","","CC1=CC(=NC2=CC3=C(C=C([N+](=C3C=C2)C)C)N)N=C(N1C)N.Cl.[Cl-]","VVIZQGRJJPEJPT-UHFFFAOYSA-N","135422085",NA,"PDBC52212","48223","Present"
-"Quinazoline, 4-(2-methoxyethoxy)-2-phenyl-","","","","","","","","","","","","","","","","","","","","Quinazoline, 4-(2-methoxyethoxy)-2-phenyl-","","COCCOC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3","HIJVNHVNZWJSRC-UHFFFAOYSA-N","403432",NA,"PDBC52213","718233","Present"
-"Quinazolino[2,3-c][1,4]benzothiazin-12(6H)-one","","","","","","","","","","","","","","","","","","","","Quinazolino[2,3-c][1,4]benzothiazin-12(6H)-one","","C1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4S1","BEKWDOZRQNHBNX-UHFFFAOYSA-N","370488",NA,"PDBC52214","643710","Present"
-"Quinazolinone 6-OH-2,3-dihydro-2-(1-naphthyl)","","","","","","","","","","","","","","","","","","","","QUINAZOLINONE","","C1=CC=C2C(=C1)C=CC=C2C3NC4=C(C=C(C=C4)O)C(=O)N3","DSPVMXZFVUAEBC-UHFFFAOYSA-N","334935",NA,"PDBC52215","342435","Present"
-"Quindonium bromide","","","","","","","","","","","","","","","","","","","","quindonium hydrobromide","","C1CC2CCC3=[N+](C2C1)CCC4=C3C=CC(=C4)O.[Br-]","OUILVKYDBNPYBM-UHFFFAOYSA-N","8543",NA,"PDBC52216","78614","Present"
-"Quinidine sulfate","","","","","","","","","","","","","","","","","","","","quine","","COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O","AKYHKWQPZHDOBW-UHFFFAOYSA-N","11069",NA,"PDBC52217","5362","Present"
-"Quinine (Hydrobromide)","","","","","","","","","","","","","","","","","","","","Quinine, hydrobromide, hydrate","","COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Br","HDZGBIRSORQVNB-UHFFFAOYSA-N","11068",NA,"PDBC52218","12865","Present"
-"Quino[2',3':3,4]pyrrolo[1,2-b][2,7]naphthyridine-3,14-dione, 2-[2-(dimethylamino)ethyl]-4-hydroxy-","","","","","","","","","","","","","","","","","","","","Quino[2',3':3,4]pyrrolo[1,2-b][2,7]naphthyridine- 3,14-d...","","CCC1(C2=C(CN(C1=O)CCN(C)C)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O","OURVDKXUGAAWJV-DEOSSOPVSA-N","155805054",NA,"PDBC52219","682297","Present"
-"Quino[8,7-diamine, N,N'-bis[3-(dimethylamino)propyl]-3,9-dimethyl-, tetrahydrochloride","","","","","","","","","","","","","","","","","","","","Quino[8,7-h]quinoline-1,7-diamine, N,N'-bis[3-(dimethyla...","","CC1=CC(=C2C=CC3=C(C2=N1)C=CC4=C(C=C(N=C34)C)NCCCN(C)C)NCCCN(C)C.Cl","HTGDFPPUIOQBQB-UHFFFAOYSA-N","24198873",NA,"PDBC52220","306365","Present"
-"Quinocarcin monocitrate","","","","","","","","","","","","","","","","","","","","quinocarcin monocitrate","","CN1C2CC(C1C3CC4=C(C5N3C2OC5)C(=CC=C4)OC)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","MTZMRPGOPJFNLW-YFLVRMBNSA-N","353396",NA,"PDBC52221","601422","Present"
-"Quinocarmycin analog","","","","","","","","","","","","","","","","","","","","7-Cyanoquinocarcinol","","CN1C2CC(C1C3CC4=C(C(N3C2C#N)CO)C(=CC=C4)OC)C(=O)O","YGWHMSNGVVTUIT-UHFFFAOYSA-N","122737",NA,"PDBC52222","607097","Present"
-"Quinocetone","","","","","","","","","","","","","","","","","","","","Quinocetone","","CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3","IOKWXGMNRWVQHX-VAWYXSNFSA-N","5387181",NA,"PDBC52223","621477","Present"
-"Quinolin-2-ylmethyl 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate","","","","","","","","","","","","","","","","","","","","Quinolin-2-ylmethyl 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate","","C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=NC6=CC=CC=C6C=C5)F)C(=O)OCC7=NC8=CC=CC=C8C=C7","HUSIDYFTKMYNRM-UHFFFAOYSA-N","406214",NA,"PDBC52224","724257","Present"
-"Quinolin-8-ol; xanthen-9-one","","","","","","","","","","","","","","","","","","","","Quinolin-8-ol; xanthen-9-one","","C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2.C1=CC2=C(C(=C1)O)N=CC=C2","MJVAASXECGMNAR-UHFFFAOYSA-N","271897",NA,"PDBC52225","115892","Present"
-"Quinolin-8-yl (E)-but-2-enoate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC646912","","CC=CC(=O)OC1=CC=CC2=C1N=CC=C2.Cl","HQBIHPHJTNPWMC-DPZBITMOSA-N","6517279",NA,"PDBC52226","646912","Present"
-"Quinolin-8-yl 6-(chloromethyl)-2-oxochromene-3-carboxylate","","","","","","","","","","","","","","","","","","","","Quinolin-8-yl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate","","C1=CC2=C(C(=C1)OC(=O)C3=CC4=C(C=CC(=C4)CCl)OC3=O)N=CC=C2","YOIIHKSEJOPKPY-UHFFFAOYSA-N","402508",NA,"PDBC52227","716535","Present"
-"Quinoline, 3-[[4-[[2-(diethylamino)ethyl]amino]-1-naphthyl]azo]-","","","","","","","","","","","","","","","","","","","","Quinoline, 3-[[4-[[2-(diethylamino)ethyl]amino]-1-naphth...","","CCN(CC)CCNC1=CC=C(C2=CC=CC=C21)N=NC3=CC4=CC=CC=C4N=C3","OGMCNKIUMUENFR-UHFFFAOYSA-N","262083",NA,"PDBC52228","95288","Present"
-"Quinoline, 4-(2,5-dimethoxystyryl)-","","","","","","","","","","","","","","","","","","","","Quinoline, 4-(2,5-dimethoxystyryl)-","","COC1=CC(=C(C=C1)OC)C=CC2=CC=NC3=CC=CC=C23","SKSPBGAEBWSFCS-BQYQJAHWSA-N","5929717",NA,"PDBC52229","69603","Present"
-"Quinoline, 4-(4-N,N-dimethylaminostyryl)-5,6-benzo","","","","","","","","","","","","","","","","","","","","4-[(E)-2-Benzo[f]quinolin-1-ylvinyl]-N,N-dimethyl-aniline","","CN(C)C1=CC=C(C=C1)C=CC2=C3C(=NC=C2)C=CC4=CC=CC=C43","IKCVQOAMABCPCU-JXMROGBWSA-N","5904653",NA,"PDBC52230","407356","Present"
-"Quinoline,4,5-trimethoxystyryl)-","","","","","","","","","","","","","","","","","","","","WLN: T66 BNJ E1U1R BO1 DO1 EO1","","COC1=CC(=C(C=C1C=CC2=CC=NC3=CC=CC=C23)OC)OC","XPYLMRIXEKTASO-HJWRWDBZSA-N","54598341",NA,"PDBC52231","80756","Present"
-"Quinoline-4-amine,N'-[(piperazine-1,4-diyl)bis (propane-1,3-diyl)]bis[6-methoxy-, tetrahydrochloride","","","","","","","","","","","","","","","","","","","","Quinoline-4-amine, N,N'-[(piperazine-1,4-diyl)bis (propa...","","COC1=CC2=C(C=CN=C2C=C1)NCCCN3CCN(CC3)CCCNC4=C5C=C(C=CC5=NC=C4)OC.Cl","QZLKOLPOEHHUNA-UHFFFAOYSA-N","54611040",NA,"PDBC52232","365360","Present"
-"Quinoline-4-carboxamide,N'-[(1,4-piperazinediyl) bis(3,1-propanediyl)]bis(2-phenyl-, dihydrochloride","","","","","","","","","","","","","","","","","","","","Quinoline-4-carboxamide, N,N'-[(1,4-piperazinediyl) bis(...","","C1CN(CCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CCCNC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7.Cl","MYBDUXVKTYHAGX-UHFFFAOYSA-N","384385",NA,"PDBC52233","674092","Present"
-"Quinoline-5, 6-[(3-hydroxy-3-phenyl-2-propyl)amino]-","","","","","","","","","","","","","","","","","","","","Quinoline-5,8-dione, 6-[(3-hydroxy-3-phenyl-2-propyl)ami...","","CC(C(C1=CC=CC=C1)O)NC2=CC(=O)C3=C(C2=O)C=CC=N3","QGPJZWANENWRKK-UHFFFAOYSA-N","386228",NA,"PDBC52234","677945","Present"
-"Quinolinium, 4-(2-(8-hydroxy-5-methyl-7-quinolyl)vinyl)-1-methyl-, iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 4-[2-(8-hydroxy-5-methyl-7-quinolyl)vinyl]-...","","CC1=CC(=C(C2=C1C=CC=N2)O)C=CC3=CC=[N+](C4=CC=CC=C34)C.[I-]","MNAHQEBGYKILRR-UHFFFAOYSA-N","135534478",NA,"PDBC52235","86373","Present"
-"Quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-quinolyl)vinyl]-1-methyl-iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-quinolyl)vinyl]-...","","CCOC1CCC2C(C1)CCC(N2C)C=CC3=C4C=CC=NC4=C(C=C3)O","ZOYLVBQKNCQNAG-RMKNXTFCSA-N","54610060",NA,"PDBC52236","85701","Present"
-"Quinolinium, 8-ethoxy-1-ethyl-, iodide","","","","","","","","","","","","","","","","","","","","8-Ethoxy-1-ethylquinolinium iodide","","CC[N+]1=CC=CC2=C1C(=CC=C2)OCC.[I-]","VQDXNJIEBOSMIX-UHFFFAOYSA-M","372055",NA,"PDBC52237","646916","Present"
-"Quinolinium, chloride, monohydrochloride","","","","","","","","","","","","","","","","","","","","Quinolinium, 4-amino-2-methyl-1-[10-[(2-methyl- 4-quinol...","","CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.Cl.[Cl-]","ALCZFNAXYRDMKQ-UHFFFAOYSA-N","387885",NA,"PDBC52238","682096","Present"
-"Quinolinium, dichloride","","","","","","","","","","","","","","","","","","","","NSC218439","","C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)[N+](=O)[O-])[N+](=O)[O-].[Cl-]","TUFHOUNZXFZZHE-UHFFFAOYSA-O","5351265",NA,"PDBC52239","218439","Present"
-"Quinolinium,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-, iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 1-methyl-2,4-bis[2-(2,4,6-trimethoxyphenyl)...","","C[N+]1=C(C=C(C2=CC=CC=C21)C=CC3=C(C=C(C=C3OC)OC)OC)C=CC4=C(C=C(C=C4OC)OC)OC.[I-]","YWEOCOJVSQXGHY-DHYBKWRASA-M","54598530",NA,"PDBC52240","231984","Present"
-"Quinolinium,5-dimethyl-1-pentylpyrrol-3-yl)-vinyl]1,6-dimethyl-, chloride","","","","","","","","","","","","","","","","","","","","Quinolinium, 2-[2-(2,5-dimethyl-1-pentyl-1H-pyrrol-3-yl)...","","CCCCCN1C(=CC(=C1C)C=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)C)C.[Cl-]","ZKNVFCBYZIYGDP-UHFFFAOYSA-M","54605545",NA,"PDBC52241","31709","Present"
-"Quinolinium,6-dimethyl-iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 2-[2-(8-hydroxy-5-methyl-7-quinolyl)vinyl]-...","","CC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=C(C4=C(C=CC=N4)C(=C3)C)O)C.[I-]","MICXGHNXBHRCKJ-UHFFFAOYSA-N","135534475",NA,"PDBC52242","86371","Present"
-"Quinolinium,6-methyl-, iodide","","","","","","","","","","","","","","","","","","","","Quinolinium, 2-[2-(8-hydroxy-5-quinolyl)vinyl]-1,6-methy...","","CC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=C4C=CC=NC4=C(C=C3)O)C.[I-]","PWPXDRWDJIJHLD-UHFFFAOYSA-N","135534457",NA,"PDBC52243","85700","Present"
-"Quinoxaline, 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-","","","","","","","","","","","","","","","","","","","","Quinoxaline, 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-","","C1=CC=C2C(=C1)N=C(C(=N2)C3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)Cl","NIUZKKOEEBSSMF-UHFFFAOYSA-N","403642",NA,"PDBC52244","718710","Present"
-"Quinoxaline, 2-chloro-3-(iodomethyl)-","","","","","","","","","","","","","","","","","","","","Quinoxaline, 2-chloro-3-(iodomethyl)-","","C1=CC=C2C(=C1)N=C(C(=N2)Cl)CI","LUQLSNWURHZKSL-UHFFFAOYSA-N","286258",NA,"PDBC52245","144177","Present"
-"Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide","","","","","","","","","","","","","","","","","","","","Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide","","CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)SC","DQTFWWOZEVXLON-UHFFFAOYSA-N","389765",NA,"PDBC52246","686361","Present"
-"Quinoxaline, 6-chloro-2,3-bis(iodomethyl)-","","","","","","","","","","","","","","","","","","","","Quinoxaline, 6-chloro-2,3-bis(iodomethyl)-","","C1=CC2=C(C=C1Cl)N=C(C(=N2)CI)CI","JUSSMMAJIDPHPB-UHFFFAOYSA-N","286252",NA,"PDBC52247","144163","Present"
-"Quinoxaline, 6-chloro-2-(phenoxy)-","","","","","","","","","","","","","","","","","","","","Quinoxaline, 6-chloro-2-(phenoxy)-","","C1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl","OGOCNTLEAKGYNS-UHFFFAOYSA-N","60147747",NA,"PDBC52248","752337","Present"
-"Quinoxaline,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]-2,6,7-trimethyl-, 1,4-dioxide","","","","","","","","","","","","","","","","","","","","Quinoxaline, 3-[3-(l,3-benzodioxol-5-yl)-1-oxo-2-propen-...","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC4=C(C=C3)OCO4","LSMIPRLPWQVPBH-GQCTYLIASA-N","5387189",NA,"PDBC52249","621487","Present"
-"Quinoxaline,6,7-trimethyl-, 1,4-dioxide","","","","","","","","","","","","","","","","","","","","Quinoxaline, 3-[3-(2-nitrophenyl)-1-oxo-2-propen-1-yl]-2...","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]","OXDABLUUWWAFTE-CMDGGOBGSA-N","5351352",NA,"PDBC52250","621486","Present"
-"Quinquethiphene","","","","","","","","","","","","","","","","","","","","Quinquethiphene","","C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=CS5","YFBLUJZFRBFQMR-UHFFFAOYSA-N","395508",NA,"PDBC52251","700150","Present"
-"Quinterenol hydrochloride","","","","","","","","","","","","","","","","","","","","Quinterenol hydrochloride","","CC(C)NCC(C1=C2C=CC=NC2=C(C=C1)O)O.Cl","ZXJJXRFJIDRFPY-UHFFFAOYSA-N","24200043",NA,"PDBC52252","355081","Present"
-"Quinuclidin-3-yl (E)-2-hydroxy-2,4-diphenyl-but-3-enoate","","","","","","","","","","","","","","","","","","","","Quinuclidin-3-yl (E)-2-hydroxy-2,4-diphenyl-but-3-enoate","","C1CN2CCC1C(C2)OC(=O)C(C=CC3=CC=CC=C3)(C4=CC=CC=C4)O","ZNJFSXPVEZDYHT-SDNWHVSQSA-N","5468170",NA,"PDBC52253","665723","Present"
-"Quinuclidin-3-yl 2-hydroxy-3-methyl-2-(2-thienyl)but-3-enoate","","","","","","","","","","","","","","","","","","","","Quinuclidin-3-yl 2-hydroxy-3-methyl-2-(2-thienyl)but-3-enoate","","CC(=C)C(C1=CC=CS1)(C(=O)OC2CN3CCC2CC3)O","DKKGMWQNBVYUFD-UHFFFAOYSA-N","380363",NA,"PDBC52254","665886","Present"
-"Qycyijpgpxswmm-uhfffaoysa-","","","","","","","","","","","","","","","","","","","","6,7-dihydro-3-spiro(1-methylpiperidin-4-yl)-5H-imidazo[2...","","CN1CCC2(CC1)N3CCN=C3NO2","QYCYIJPGPXSWMM-UHFFFAOYSA-N","10987186",NA,"PDBC52255","727192","Present"
-"R-1530","","","","","","","","","","","","","","","","","","","","R-1530","","CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)F)OC","UOVCGJXDGOGOCZ-UHFFFAOYSA-N","135398512",NA,"PDBC52256","767953","Present"
-"RAPAMYCIN","","","","","","","","","","","","","","","","","","","","RAPAMYCIN","","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC","QFJCIRLUMZQUOT-ADLMHZFOSA-N","54600319",NA,"PDBC52257","226080","Present"
-"RB5B7G5","","","","","","","","","","","","","","","","","","","","RB5B7G5","","","","",NA,"PDBC52258","636222","Present"
-"RBC4","","","","","","","","","","","","","","","","","","","","RBC4","","","","",NA,"PDBC52259","636223","Present"
-"RCL L158712","","","","","","","","","","","","","","","","","","","","RCL L158712","","CCCC1=C(NC(=C1C(=O)OCC)C(=O)CCC(=O)C2=C(C(=C(N2)C(=O)OCC)CCC)C(=O)OCC)C(=O)OCC","XYXRQAAQUIONIT-UHFFFAOYSA-N","374807",NA,"PDBC52260","653144","Present"
-"RCL L160083","","","","","","","","","","","","","","","","","","","","RCL L160083","","C1=CC=C(C=C1)C2C(=C(C(=O)C2=C3C(C(=C(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","HKQMVEYJUSCHJQ-VGFSZAGXSA-N","3004058",NA,"PDBC52261","624981","Present"
-"RCL L160741","","","","","","","","","","","","","","","","","","","","RCL L160741","","C1CC23C=CC4(O2)CCC56C4(C3(C1(O5)C=C6)C(F)(F)F)C(F)(F)F","KDYYIGLVOYNXIM-UHFFFAOYSA-N","361821",NA,"PDBC52262","625139","Present"
-"RCL R153257","","","","","","","","","","","","","","","","","","","","RCL R153257","","COC(=O)C1=C(C23CC1C4C2(C=CC=C3)C(=C4C(=O)OC)C(=O)OC)C(=O)OC","KYPYYYMRGZJZCQ-UHFFFAOYSA-N","367132",NA,"PDBC52263","636519","Present"
-"RCL S107441","","","","","","","","","","","","","","","","","","","","RCL S107441","","C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C6C7C8=CC=CC=C8C(C6=C9C(=O)C=CC(=O)C9=C35)C1=CC=CC=C71","ABQNCCFKZBSJLW-UHFFFAOYSA-N","370649",NA,"PDBC52264","644011","Present"
-"RCL S18407","","","","","","","","","","","","","","","","","","","","RCL S18407","","CC12C3C4CC5C3C(O1)(C6C5C4C26)O","PENAUTLHAQSFJP-UHFFFAOYSA-N","362200",NA,"PDBC52265","625799","Present"
-"RCL S325104","","","","","","","","","","","","","","","","","","","","RCL S325104","","COC(=O)C12C34CCC15C=CC6(C2(C(O3)(CC6)C=C4)C(=O)OC)O5","ZRMNJZIXDIHSBJ-UHFFFAOYSA-N","361823",NA,"PDBC52266","625141","Present"
-"RCL T229660","","","","","","","","","","","","","","","","","","","","RCL T229660","","C1CCCCCC23CC(=O)CC2(CCCC1)CC(=O)C3","KDLKIBGVAYXTGH-UHFFFAOYSA-N","363123",NA,"PDBC52267","627692","Present"
-"RD3GVR673P","","","","","","","","","","","","","","","","","","","","RD3GVR673P","","CC1=CN=C(N=C1C2=CC3=CC=CC=C3S2)SCCN4CCN(CC4)C","KNELXRNFFDSJLO-UHFFFAOYSA-N","358883",NA,"PDBC52268","619012","Present"
-"RDEUUWUFJSOERA-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","RDEUUWUFJSOERA-UHFFFAOYSA-N","","C=C1CC(OC1=O)(COC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC=CC=C4","RDEUUWUFJSOERA-UHFFFAOYSA-N","381509",NA,"PDBC52269","668265","Present"
-"RDVMYEQQVGPRCL-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","RDVMYEQQVGPRCL-UHFFFAOYSA-N","","C1CCN(CC1)CCCN2C=NC3=C(C2=O)C=CC=N3","RDVMYEQQVGPRCL-UHFFFAOYSA-N","360827",NA,"PDBC52270","623244","Present"
-"RE 1492","","","","","","","","","","","","","","","","","","","","RE 1492","","C1=CC=C(C=C1)CCCCNCC2=CC(=CC(=C2)CNCCCCC3=CC=CC=C3)CNCCCCC4=CC=CC=C4","RPSXXPUMOFOJAV-UHFFFAOYSA-N","163878",NA,"PDBC52271","704565","Present"
-"RE640","","","","","","","","","","","","","","","","","","","","RE640","","C1=CC2=C(C=CN=C2C=C1Cl)NCCNC3=C4C=CC(=CC4=NC=C3)Cl","SSXYXSMMVMVYEV-UHFFFAOYSA-N","221354",NA,"PDBC52272","5844","Present"
-"REGID_for_CID_289745","","","","","","","","","","","","","","","","","","","","REGID_for_CID_289745","","COC1=CC(=C2C(=C1)C=CC(=N2)C3=CC=C(C=C3)Cl)NC4CCCCC4O","CGOLNLWHMQSTSZ-UHFFFAOYSA-N","289745",NA,"PDBC52273","151982","Present"
-"REGID_for_CID_3005238","","","","","","","","","","","","","","","","","","","","REGID_for_CID_3005238","","CCCCSC(=C(C#N)C(=O)N)C1=CC2=C(N1)CCCC2","FQOLJHJIJJBTRH-QINSGFPZSA-N","3005238",NA,"PDBC52274","685418","Present"
-"REGID_for_CID_371946","","","","","","","","","","","","","","","","","","","","REGID_for_CID_371946","","C1=CC=C2C(=C1)C(=NNC2=O)CNC3=C(C=C(C=C3)Cl)Cl","MPXGMPRIJUTPCP-UHFFFAOYSA-N","371946",NA,"PDBC52275","646680","Present"
-"RG-7602","","","","","","","","","","","","","","","","","","","","RG-7602","","CCN1CCC(CC1)OC2=C3C4=C(NC3=CN=C2C#N)N=CC=C4","XEZLBMHDUXSICI-UHFFFAOYSA-N","58266779",NA,"PDBC52276","791163","Present"
-"RG-7741","","","","","","","","","","","","","","","","","","","","RG-7741","","C1CC(CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4)N","BAZRWWGASYWYGB-SNVBAGLBSA-N","46917793",NA,"PDBC52277","808789","Present"
-"RG5.5","","","","","","","","","","","","","","","","","","","RG5.5","","","","","",NA,"PDBC52278","","Absent"
-"RG7112","","","","","","","","","","","","","","","","","","RG7112 (RO5045337)","","RG-7112","","","","",NA,"PDBC52279","771531///809100","Present"
-"RGB-286638 free base","","","","","","","","","","","","","","","","","","","","RGB-286638","","COCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NNC4=C3C(=O)C5=C4C=CC=C5NC(=O)NN6CCOCC6","XLSYZSRXVVCHLS-UHFFFAOYSA-N","11285002",NA,"PDBC52280","800866","Present"
-"RGX-104","","","","","","","","","","","","","","","","","","","","RGX-104","","CC(CCOC1=CC=CC(=C1)CC(=O)O)N(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4","ZLJZDYOBXVOTSA-XMMPIXPASA-N","10218693",NA,"PDBC52281","813859","Present"
-"RH1","","","","","","","","","","","","","","","","","","","","RH1","","CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3","JKDLOGLNPDVUCX-UHFFFAOYSA-N","394347",NA,"PDBC52282","697726","Present"
-"RHIZOXIN","","","","","","","","","","","","","","","","","","","","RHIZOXIN","","CC1C=CC2C(O2)(C(CC(OC(=O)C3C(O3)CC4CC1OC(=O)C4)C(C)C(C(=CC=CC(=CC5=COC(=N5)C)C)C)OC)O)C","OWPCHSCAPHNHAV-LLAMSIHESA-N","54601174",NA,"PDBC52283","332598","Present"
-"RHPS 4 methosulfate","","","","","","","","","","","","","","","","","","","","3,11-difluoro-6,8,13-trimethyl-8H-quino[4,3,2-kl]acridin...","","CC1=CC2=C3C(=C1)N(C4=C(C3=[N+](C5=C2C=C(C=C5)F)C)C=C(C=C4)F)C.COS(=O)(=O)[O-]","VRWGYMXWYZBBGF-UHFFFAOYSA-M","9804187",NA,"PDBC52284","714187","Present"
-"RIOLOZATRIONE","","","","","","","","","","","","","","","","","","","","RIOLOZATRIONE","","CC1CC2=C(C1)C(=O)C(C2C3(C(=O)CC4C(C3=O)C4(C)C)C)C","NHBBYXIXBPPEDQ-UHFFFAOYSA-N","433403",NA,"PDBC52285","329078","Present"
-"RJFKWGUZANATSB-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","RJFKWGUZANATSB-UHFFFAOYSA-N","","C1CCC(CC1)N2C(=C(Cl)Cl)C(=C(Cl)Cl)N(C2=O)C3CCCCC3","RJFKWGUZANATSB-UHFFFAOYSA-N","374228",NA,"PDBC52286","651718","Present"
-"RM8UZT5WRZ","","","","","","","","","","","","","","","","","","","","RM8UZT5WRZ","","CC(=O)OC1=CC=CC2=C1C(=O)CCCC2","YCYLKMWPCPPMFM-UHFFFAOYSA-N","387175",NA,"PDBC52287","680711","Present"
-"RN-486","","","","","","","","","","","","","","","","","","","","RN-486","","CN1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=CC=C4)N5C=CC6=CC(=CC(=C6C5=O)F)C7CC7)CO","ZTUJNJAKTLHBEX-UHFFFAOYSA-N","46908026",NA,"PDBC52288","781417","Present"
-"ROCHE screening, 64","","","","","","","","","","","","","","","","","","","","NSC767397","","CN=C1NC(=O)C(=CC2=CC3=C(C=C2)N=CC=C3)S1","OTTNNAIKNUBBIR-WQLSENKSSA-N","135475857",NA,"PDBC52289","767397","Present"
-"ROCHE screening, 67","","","","","","","","","","","","","","","","","","","","NSC767383","","C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCCC4=CC=C(C=C4)F)S3)N=C1","UXZMCMNLBUGBMC-UYRXBGFRSA-N","135950079",NA,"PDBC52290","767383","Present"
-"ROCHE screening, 68","","","","","","","","","","","","","","","","","","","","NSC767387","","C1=CC(=CC(=C1)Cl)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","YEBLRTZBIRRDLW-UYRXBGFRSA-N","135950082",NA,"PDBC52291","767387","Present"
-"ROCHE screening, 69","","","","","","","","","","","","","","","","","","","","NSC767374","","C1=CC=C(C(=C1)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)F","STXWTJXGSSNHTL-UYRXBGFRSA-N","135950077",NA,"PDBC52292","767374","Present"
-"ROCHE screening, 75","","","","","","","","","","","","","","","","","","","","NSC767404","","C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCC4=CC=CS4)O3)N=C1","RVOPXDLRTRUOFB-YBEGLDIGSA-N","136882203",NA,"PDBC52293","767404","Present"
-"RS4.6","","","","","","","","","","","","","","","","","","","RS4.6","","","","","",NA,"PDBC52294","","Absent"
-"RS6.4","","","","","","","","","","","","","","","","","","","RS6.4","","","","","",NA,"PDBC52295","","Absent"
-"RSC000437","","","","","","","","","","","","","","","","","","","","RSC000437","","CCNC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)Cl)N","FMWOBSRFNVLETF-UHFFFAOYSA-N","399011",NA,"PDBC52296","709432","Present"
-"RSC000774","","","","","","","","","","","","","","","","","","","","RSC000774","","C1=CSC(=C1)C(=O)C=CC2=CC=C(C=C2)Cl","BNSHKSGHHCPPDV-VMPITWQZSA-N","5292843",NA,"PDBC52297","657747","Present"
-"RSC002586","","","","","","","","","","","","","","","","","","","","RSC002586","","COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3)N","MWRZPNGRLYXGKP-UHFFFAOYSA-N","399616",NA,"PDBC52298","710525","Present"
-"RSC004699","","","","","","","","","","","","","","","","","","","","RSC004699","","C1=CSC(=C1)C(=O)C=CC2=CSC=C2","BLXLKHPDMGGTDQ-ONEGZZNKSA-N","5467683",NA,"PDBC52299","657763","Present"
-"RSC005197","","","","","","","","","","","","","","","","","","","","RSC005197","","CCC1C(=C(OC2=C1C(=O)CC(C2)(C)C)N)C#N","DULJRAHNWCJXCR-UHFFFAOYSA-N","397588",NA,"PDBC52300","705929","Present"
-"RSC007125","","","","","","","","","","","","","","","","","","","","RSC007125","","CCN1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl","JFMFPEDGIFBDTR-GZTJUZNOSA-N","5285732",NA,"PDBC52301","706015","Present"
-"RSCBB000142","","","","","","","","","","","","","","","","","","","","RSCBB000142","","C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N","KTPFGSXXUDJFFQ-UHFFFAOYSA-N","780902",NA,"PDBC52302","678060","Present"
-"RSCBB000147","","","","","","","","","","","","","","","","","","","","RSCBB000147","","COC1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N","ZYLUJIUASPPJEP-UHFFFAOYSA-N","4161738",NA,"PDBC52303","712232","Present"
-"RSU-1069","","","","","","","","","","","","","","","","","","","","RSU-1069","","C1CN1CC(CN2C=CN=C2[N+](=O)[O-])O","OEWYWFJWBZNJJG-UHFFFAOYSA-N","100153",NA,"PDBC52304","347503","Present"
-"RT-014559","","","","","","","","","","","","","","","","","","","","RT-014559","","CC(C)C(C1=CC=CC=C1)N(C(C)(C)C)OC(C)C2=CC=CC=C2","FPFRTDOMIFBPBZ-UHFFFAOYSA-N","6712809",NA,"PDBC52305","714201","Present"
-"RT-020463","","","","","","","","","","","","","","","","","","","","RT-020463","","CN1C2=CC=CC=C2S(=O)(=O)NC1=NCCO","WLOQQPVPKLIXRG-UHFFFAOYSA-N","135429906",NA,"PDBC52306","373860","Present"
-"RT-023906","","","","","","","","","","","","","","","","","","","","RT-023906","","C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC5=CC=CC=C5C(=C4O)C6=C(C(=CC7=CC=CC=C76)[Si](C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)O","STBZSRVMGWTCOU-UHFFFAOYSA-N","394171",NA,"PDBC52307","697408","Present"
-"RUKMXSMDSWJZSU-GHRIWEEISA-N","","","","","","","","","","","","","","","","","","","","RUKMXSMDSWJZSU-GHRIWEEISA-N","","CC(C)(C)N=C1N(C(=O)ON1C(C)(C)C)C2=CC=CC=C2","RUKMXSMDSWJZSU-UHFFFAOYSA-N","390099",NA,"PDBC52308","687042","Present"
-"RUKXKUXHBRQYLK-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","RUKXKUXHBRQYLK-UHFFFAOYSA-N","","C1=C(C(=O)NC(=O)N1)C(C(F)(F)F)(C(F)(F)F)F","RUKXKUXHBRQYLK-UHFFFAOYSA-N","373128",NA,"PDBC52309","649070","Present"
-"RUMSUGVHLWUDNX-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","RUMSUGVHLWUDNX-UHFFFAOYSA-N","","CC1=C(C(=NC(=O)N1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=CC=C4","RUMSUGVHLWUDNX-UHFFFAOYSA-N","365315",NA,"PDBC52310","632904","Present"
-"Rac-2-Ethoxy-3-octadecanamido-1-propylphosphocholine","","","","","","","","","","","","","","","","","","","","3-Oeppc","","CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC","QUVZKDZYEOYGKV-UHFFFAOYSA-N","72241",NA,"PDBC52311","624874","Present"
-"Rac-2-Methyleneoxy-1-O-octyl-myo-inistol","","","","","","","","","","","","","","","","","","","","rac-2-Methyleneoxy-1-O-octyl-myo-inistol","","CCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(C12CO2)O)O)O)O","QKRIPMSYZDZZOI-UHFFFAOYSA-N","3793212",NA,"PDBC52312","676019","Present"
-"Rac-3-Hexadecanamido-2-ethoxypropyl phosphocholine","","","","","","","","","","","","","","","","","","","","CP-49","","CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC","USUMXADKOISKIL-UHFFFAOYSA-N","361655",NA,"PDBC52313","624873","Present"
-"Rac-3-Octadecanamido-2-methoxypropyl phosphocholine","","","","","","","","","","","","","","","","","","","","CP-50","","CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC","KTJPWDKOKGANNX-UHFFFAOYSA-N","5030",NA,"PDBC52314","624872","Present"
-"Rac-Phycocyanobilin","","","","","","","","","","","","","","","","","","","","Extracted from algae","","CCC1=C(C(=NC1=O)C=C2C(=C(C(=CC3=C(C(=C(N3)C=C4C(=CC)C(C(=O)N4)C)C)CCC(=O)O)N2)CCC(=O)O)C)C","NNMALANKTSRILL-HSHKIBDDSA-N","54611329",NA,"PDBC52315","633984","Present"
-"Rac-huprine X","","","","","","","","","","","","","","","","","","","","rac-huprine X","","CCC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N.Cl","YSJSSHIVMXYVNW-UHFFFAOYSA-N","25182512",NA,"PDBC52316","720263","Present"
-"Radiatin","","","","","","","","","","","","","","","","","","","","Radiatin","","CC1C2C=CC(=O)C2(C(C3C(C(=O)OC3C1O)C)OC(=O)C(=C)C)C","UAGDSHSRQZJWSQ-HYJBFAGTSA-N","312134",NA,"PDBC52317","220531","Present"
-"Radiatoside E","","","","","","","","","","","","","","","","","","","","Radiatoside E","","CC1CCC2C1C(OC=C2C(=O)OC3C4CCOC(C4C5(C3O5)CO)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O","JFUHCGVURJQGTM-BCOIZJBGSA-N","378231",NA,"PDBC52318","660034","Present"
-"Radicinin","","","","","","","","","","","","","","","","","","","","radicinin","","CC=CC1=CC2=C(C(=O)C(C(O2)C)O)C(=O)O1","SDKXGAICTNHFCN-DCJAWTJCSA-N","5381458",NA,"PDBC52319","118343","Present"
-"Raimondal","","","","","","","","","","","","","","","","","","","","Raimondal","","CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1OC)O","JYLMHTHQKBETEO-UHFFFAOYSA-N","156741",NA,"PDBC52320","650937","Present"
-"Ralimetinib","","","","","","","","","","","","","","","","","","","","LY-2228820","","CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C(C)(C)C)C4=CC=C(C=C4)F)N=C1N","XPPBBJCBDOEXDN-UHFFFAOYSA-N","11539025",NA,"PDBC52321","766820","Present"
-"Ramosin","","","","","","","","","","","","","","","","","","","","Ramosin","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=CC(=C3O)C5(C6=C(C(=CC=C6)O)C(=O)C7=C5C=C(C=C7O)C)O","RYMXHLGOQKJLJM-UHFFFAOYSA-N","363268",NA,"PDBC52322","628050","Present"
-"Ramulosin","","","","","","","","","","","","","","","","","","","","Ramulosin","","CC1CC2CCCC(=C2C(=O)O1)O","XQHOYOKXFNTNQZ-UHFFFAOYSA-N","54704345",NA,"PDBC52323","112906","Present"
-"Rapamycin prodrug","","","","","","","","","","","","","","","","","","","","NSC606698","","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)OC(=O)CN(C)C)OC)C)C)C)OC.CS(=O)(=O)O","XVNMRKHCSMPLOF-CPNVPWJOSA-N","54601137",NA,"PDBC52324","606698","Present"
-"Rapamycin prodrug,N-diethylpropionate-, hydrochloride salt","","","","","","","","","","","","","","","","","","","","Rapamycin prodrug, Mono-(28)-N,N-diethylpropionate-, hyd...","","CCN(CC)CCC(=O)OC1C(C(=O)C(CC(C=CC=CC=C(C(CC2CCC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(CC(=O)C(C=C1C)C)C(C)CC4CCC(C(C4)OC)O)O)C)OC)C)C)C)OC.Cl","STJJEEPKSPHFGU-GAIFIJEKSA-N","54608028",NA,"PDBC52325","606699","Present"
-"Rathyronine","","","","","","","","","","","","","","","","","","","","detrothyronin","","C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O","AUYYCJSJGJYCDS-UHFFFAOYSA-N","861",NA,"PDBC52326","46046","Present"
-"Ravoxertinib","","","","","","","","","","","","","","","","","","","","GDC-0994","","CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)C(CO)C4=CC(=C(C=C4)Cl)F","RZUOCXOYPYGSKL-GOSISDBHSA-N","71727581",NA,"PDBC52327","781343","Present"
-"Razoxane","","","","","","","","","","","","","","","","","","","","Razoxane","","CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","BMKDZUISNHGIBY-UHFFFAOYSA-N","30623",NA,"PDBC52328","129943","Present"
-"Razoxane, (R)-","","","","","","","","","","","","","","","","","","","","ICRF 186","","CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","BMKDZUISNHGIBY-SSDOTTSWSA-N","298076",NA,"PDBC52329","169779","Present"
-"Real Thiol","","","","","","","","","","","","","","","","","","","","Real Thiol","","C1CN(C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C=C(C#N)C(=O)N(CC(=O)O)CC(=O)O","VNKDTNMOOIIYSL-VGOFMYFVSA-N","130289569",NA,"PDBC52330","808793","Present"
-"Rebastinib","","","","","","","","","","","","","","","","","","","","NSC774831///NSC800863","","CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC5=C(C=C4)N=CC=C5","WVXNSAVVKYZVOE-UHFFFAOYSA-N","25066467",NA,"PDBC52331","774831///800863","Present"
-"Rebeccamycin","","","","","","","","","","","","","","","","","","","","Rebeccamycin","","COC1C(OC(C(C1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO","QEHOIJJIZXRMAN-UHFFFAOYSA-N","5043",NA,"PDBC52332","359079","Present"
-"Rebeccamycin analog","","","","","","","","","","","","","","","","","","","","antineoplastic-d640199///Becatecarin","","CCN(CC)CCN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)NC3=C5C(=C2C1=O)C6=C(N5C7C(C(C(C(O7)CO)OC)O)O)C(=CC=C6)Cl","JSKFWUPVIZYJMR-UHFFFAOYSA-N","368860",NA,"PDBC52333","640199///655649","Present"
-"Rebimastat","","","","","","","","","","","","","","","","","","","","Rebimastat","","CC(C)CC(C(=O)NC(C(=O)NC)C(C)(C)C)NC(=O)C(CCN1C(=O)C(N(C1=O)C)(C)C)S","GTXSRFUZSLTDFX-KSCSMHSMSA-N","401057",NA,"PDBC52334","713763","Present"
-"Recombinant Human Endothelial Interleukin-8 (77 amino ac...","","","","","","","","","","","","","","","","","","","","Recombinant Human Endothelial Interleukin-8 (77 amino ac...","","","","",NA,"PDBC52335","640039","Present"
-"Recombinant Human Interleukin-5","","","","","","","","","","","","","","","","","","","","Recombinant Human Interleukin-5","","","","",NA,"PDBC52336","640038","Present"
-"Recombinant Human Monocytic Interleukin-8 (72 amino acid...","","","","","","","","","","","","","","","","","","","","Recombinant Human Monocytic Interleukin-8 (72 amino acid...","","","","",NA,"PDBC52337","640040","Present"
-"Red Violet 2RN Acid Anthraquinone","","","","","","","","","","","","","","","","","","","","Red Violet 2RN Acid Anthraquinone","","C1=CC=C(C=C1)NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)O","GNYBNEOJUARKPW-UHFFFAOYSA-N","222169",NA,"PDBC52338","7578","Present"
-"Redoxal","","","","","","","","","","","","","","","","","","","","redoxal","","COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC3=CC=CC=C3C(=O)O)OC)NC4=CC=CC=C4C(=O)O","IQZIRNIZQHVBMB-UHFFFAOYSA-N","72571",NA,"PDBC52339","73735","Present"
-"Reductic acid","","","","","","","","","","","","","","","","","","","","Reductic acid","","C1CC(=O)C(=C1O)O","CRTGSPPMTACQBL-UHFFFAOYSA-N","65726",NA,"PDBC52340","642788","Present"
-"Refractin","","","","","","","","","","","","","","","","","","","","Refractin","","COC1=CC=CC2=C1N(C34C25CCN6C5C(CCC6)(CC3)CC4C(=O)OC)C=O","NJLKGEGVAFDBDJ-NNNCCGCYSA-N","254384",NA,"PDBC52341","78734","Present"
-"Regaloside A","","","","","","","","","","","","","","","","","","","","Regaloside A","","C1=CC(=CC=C1C=CC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)O)O","PADHSFRQMFRWLS-MUWVXHEGSA-N","5459131",NA,"PDBC52342","626437","Present"
-"Regaloside B","","","","","","","","","","","","","","","","","","","","Regaloside B","","CC(=O)OCC(COC(=O)C=CC1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O","YQKQOLPNKNHLBO-KRJCNZRASA-N","5459143",NA,"PDBC52343","627041","Present"
-"Reidispongiolide A","","","","","","","","","","","","","","","","","","","","Reidispongiolide A","","CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)C)OC)OC","LOYDTENNTZZQJM-FJVZNZLHSA-N","5468564",NA,"PDBC52344","671681","Present"
-"Reidispongiolide C","","","","","","","","","","","","","","","","","","","","Reidispongiolide C","","CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC(=O)O)OC)OC)C)OC)C)OC)OC","CAIRKKJGUSKGIC-GOFNFUOESA-N","5470537",NA,"PDBC52345","702925","Present"
-"Relacorilant","","","","","","","","","","","","","","","","","","","","relacorilant","","CN1C=C(C=N1)S(=O)(=O)N2CCC3=CC4=C(CC3(C2)C(=O)C5=NC=CC(=C5)C(F)(F)F)C=NN4C6=CC=C(C=C6)F","WANIDIGFXJFFEL-SANMLTNESA-N","73051463",NA,"PDBC52346","812727","Present"
-"Remangilone C","","","","","","","","","","","","","","","","","","","","Remangilone C","","CC1=C(C(=O)CC2(C1CCC3(C2CC=C4C3(C(C(=O)C5C4CC(CC5)(C)C)O)C)C)C)O","QQWIUBKPPNCYMY-JHYKCHHWSA-N","397856",NA,"PDBC52347","706476","Present"
-"Remazol Brilliant Blue R","","","","","","","","","","","","","","","","","","","","Remazol Brilliant Blue R","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)C=CS(=O)(=O)O)S(=O)(=O)O)N.[Na+]","NRIBGJDYWRYXOX-HRNDJLQDSA-N","54611111",NA,"PDBC52348","364365","Present"
-"Remdesivir","","","","","","","","","","","","","","","","","","","","GS-5734","","CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4","RWWYLEGWBNMMLJ-YSOARWBDSA-N","121304016",NA,"PDBC52349","825151","Present"
-"Rengyol","","","","","","","","","","","","","","","","","","","","1,4-Cyclohexanediol,1-(2-hydroxyethyl)-, cis","","C1CC(CCC1O)(CCO)O","TWORTZAXDSRCIT-UHFFFAOYSA-N","363707",NA,"PDBC52350","628867","Present"
-"Replaced CAS registry number(s): 66835-31-2","","","","","","","","","","","","","","","","","","","","Replaced CAS registry number(s): 66835-31-2","","CCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl","XZZRDSLWZIGIPZ-UHFFFAOYSA-N","312122",NA,"PDBC52351","220334","Present"
-"Repotrectinib","","","","","","","","","","","","","","","","","","","","TPX-0005","","CC1CNC(=O)C2=C3N=C(C=CN3N=C2)NC(C4=C(O1)C=CC(=C4)F)C","FIKPXCOQUIZNHB-WDEREUQCSA-N","135565923",NA,"PDBC52352","800522","Present"
-"Resazurin","","","","","","","","","","","","","","","","","","","","resazoin","","C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=[N+]2[O-]","PLXBWHJQWKZRKG-UHFFFAOYSA-N","11077",NA,"PDBC52353","10438","Present"
-"Reserpic acid","","","","","","","","","","","","","","","","","","","","Reserpic acid","","COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)O)NC5=C4C=CC(=C5)OC)O","JVHNBFFHWQQPLL-WOXROFTLSA-N","65747",NA,"PDBC52354","81463","Present"
-"Resibufogenin derivative","","","","","","","","","","","","","","","","","","","","RESIBUFOGENIN, METHACRYLATE DERIV","","CC(=C)C(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)C","NBLRISMPFJBPGB-UHFFFAOYSA-N","320371",NA,"PDBC52355","267712","Present"
-"Resorcinolnaphthalein","","","","","","","","","","","","","","","","","","","","1378AH","","C1=CC2=C3C(=C1)C(=O)OC4(C3=CC=C2)C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O","FTUOFHGOGJGQAB-UHFFFAOYSA-N","337218",NA,"PDBC52356","354317","Present"
-"Resorufin","","","","","","","","","","","","","","","","","","","","Resorufin","","C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=N2","HSSLDCABUXLXKM-UHFFFAOYSA-N","69462",NA,"PDBC52357","12097","Present"
-"Resveratrol-3,5-diacetate","","","","","","","","","","","","","","","","","","","","Resveratrol-3,5-diacetate","","CC(=O)OC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC(=O)C","YBTSXNIAKDYGPK-ONEGZZNKSA-N","5473049",NA,"PDBC52358","723531","Present"
-"Retinol","","","","","","","","","","","","","","","","","","","","atav","","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C","FPIPGXGPPPQFEQ-OVSJKPMPSA-N","445354",NA,"PDBC52359","122759","Present"
-"Retrochinensin","","","","","","","","","","","","","","","","","","","","JUSTICIDIN B","","COC1=C(C=C(C=C1)C2=C3C=C4C(=CC3=CC5=C2COC5=O)OCO4)OC","YYPFAIGJJDNPII-UHFFFAOYSA-N","122805",NA,"PDBC52360","254665","Present"
-"Retusin","","","","","","","","","","","","","","","","","","","","retusin (van)","","COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC","HHGPYJLEJGNWJA-UHFFFAOYSA-N","5352005",NA,"PDBC52361","61837","Present"
-"Reumycin","","","","","","","","","","","","","","","","","","","","reumycin","","CN1C(=O)C2=C(NC1=O)N=NC=N2","ZLLAXLPOOMLVRF-UHFFFAOYSA-N","5351216",NA,"PDBC52362","99733","Present"
-"Reveromycin A","","","","","","","","","","","","","","","","","","","","Reveromycin A","","CCCCC1(CCC2(CCC(C(O2)CC=C(C)C=CC(C(C)C=CC(=O)O)O)C)OC1CCC(=CC(=O)O)C)OC(=O)CCC(=O)O","WBKGGGSUUMPJST-FUPTYHQXSA-N","5467207",NA,"PDBC52363","648386","Present"
-"Rhamnazin","","","","","","","","","","","","","","","","","","","","Rhamnazin","","COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O","MYMGKIQXYXSRIJ-UHFFFAOYSA-N","5320945",NA,"PDBC52364","678106","Present"
-"Rhamnetin","","","","","","","","","","","","","","","","","","","","rhamnetin","","COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O","JGUZGNYPMHHYRK-UHFFFAOYSA-N","5281691",NA,"PDBC52365","19802","Present"
-"Rhamnolipid R 1","","","","","","","","","","","","","","","","","","","","rhamnolipid r-1","","CCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)O)OC2C(C(C(C(O2)C)O)O)O","FCBUKWWQSZQDDI-UHFFFAOYSA-N","425975",NA,"PDBC52366","178265","Present"
-"Rhapsamine","","","","","","","","","","","","","","","","","","","","Rhapsamine","","C(CCC=CCCNCC(CN)O)CCC=CCC=CCC=CCC=CCC=CCC=CCCNCC(CN)O","VIESJYQXPBPNON-ACNSRNEESA-N","5470023",NA,"PDBC52367","696673","Present"
-"Rheinanthrone","","","","","","","","","","","","","","","","","","","","Rheinanthrone","","C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C(=O)O","OZFQHULMMDWMIV-UHFFFAOYSA-N","119396",NA,"PDBC52368","658580","Present"
-"Rhodanine","","","","","","","","","","","","","","","","","","","","Rhodanic acid","","C1C(=O)NC(=S)S1","KIWUVOGUEXMXSV-UHFFFAOYSA-N","1201546",NA,"PDBC52369","1899","Present"
-"Rhodirubin E","","","","","","","","","","","","","","","","","","","","Marcellomycin","","CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)O)N(C)C)O","VJRAUFKOOPNFIQ-XAYJNONASA-N","319748",NA,"PDBC52370","265211","Present"
-"Rhodium complex","","","","","","","","","","","","","","","","","","","","RHODIUM COMPLEX","","C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Cl-].[Rh+3]","MBWYDUJEEIVIBV-UHFFFAOYSA-M","24202029",NA,"PDBC52371","619179","Present"
-"Rhodium dimer","","","","","","","","","","","","","","","","","","","","Rhodium dimer","","","","",NA,"PDBC52372","646946","Present"
-"Rhodium(1+), chloride, pentahydrate, trans-","","","","","","","","","","","","","","","","","","","","Rhodium(1+), dichlorotetrakis(pyridine)-, chloride, pent...","","C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.Cl[Rh]Cl","LAFTXWXRVVTBOQ-UHFFFAOYSA-L","54606736",NA,"PDBC52373","156311","Present"
-"Rhodium, bis(2,3-butanedione dioximato)chloro(triphenylp...","","","","","","","","","","","","","","","","","","","","Rhodium, bis(2,3-butanedione dioximato)chloro(triphenylp...","","","","",NA,"PDBC52374","210599","Present"
-"Rhuschalcone I","","","","","","","","","","","","","","","","","","","","Rhuschalcone I","","COC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OC3=C(C=C(C(=C3)C(=O)C=CC4=CC=C(C=C4)O)O)OC)O","KGGDBGGPDRWGEC-BGPOSVGRSA-N","5472697",NA,"PDBC52375","720812","Present"
-"Rhuschalcone II","","","","","","","","","","","","","","","","","","","","Rhuschalcone II","","C1=CC(=CC=C1C=CC(=O)C2=CC(=C(C=C2O)O)OC3=CC=C(C=C3)C=CC(=O)C4=C(C=C(C=C4)O)O)O","RKYMUBMDNHRQBK-ACFHMISVSA-N","5472700",NA,"PDBC52376","720815","Present"
-"Rhuschalcone III","","","","","","","","","","","","","","","","","","","","Rhuschalcone III","","COC1=C(C=C(C(=C1)O)C(=O)C=CC2=CC=C(C=C2)O)OC3=CC=C(C=C3)C=CC(=O)C4=C(C=C(C=C4)O)O","VWFAAFDOTKTTKV-MKFXEVHTSA-N","5472698",NA,"PDBC52377","720813","Present"
-"Rhuschalcone IV","","","","","","","","","","","","","","","","","","","","Rhuschalcone IV","","COC1=C(C=C(C(=C1)O)C(=O)C=CC2=CC=C(C=C2)O)OC3=CC(=C(C=C3)C(=O)C=CC4=CC=C(C=C4)O)O","AUWRGBKFYMBVIY-MKFXEVHTSA-N","5472699",NA,"PDBC52378","720814","Present"
-"Rhuschalcone VI","","","","","","","","","","","","","","","","","","","","Rhuschalcone VI","","C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C(=C2)C3=C(C=CC(=C3)C=CC(=O)C4=C(C=C(C=C4)O)O)O)O)O)O","GKIHPJBWPIVSEV-HULALXFYSA-N","5472701",NA,"PDBC52379","720816","Present"
-"Ricinus communis","","","","","","","","","","","","","","","","","","","","Ricinus communis","","","","",NA,"PDBC52380","15384","Present"
-"Ridazin","","","","","","","","","","","","","","","","","","","","ridazin","","CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl","SNXMQJGTZHNPCN-UHFFFAOYSA-N","99712",NA,"PDBC52381","186055","Present"
-"Rietone 1","","","","","","","","","","","","","","","","","","","","Rietone 1","","CC(=CC(=O)C(C(=CCCC(=CCC1=CC(=C(C=C1O)CC(=O)OC)O)C)C)O)C","BMWQZICHUPZIIN-AAZCYQLISA-N","5468719",NA,"PDBC52382","675010","Present"
-"Rifamycin, 3-[(4-methyl-1-piperazinyl)methyl]-","","","","","","","","","","","","","","","","","","","","Rifamycin, 3-[(4-methyl-1-piperazinyl)methyl]-","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN5CCN(CC5)C)C","JIJQRBWJNKPMEO-GDVSYNKOSA-N","5382571",NA,"PDBC52383","145611","Present"
-"Rifamycin, 3-[[(pentyloxy)imino]methyl]-","","","","","","","","","","","","","","","","","","","","AF 012","","CCCCCON=CC1=C2C(=C3C(=C1O)C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)N2)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","NZLFPVCWUJGSPW-MBWIUBFKSA-N","135534672",NA,"PDBC52384","143475","Present"
-"Rifomycin M14","","","","","","","","","","","","","","","","","","","","rifomide","","CCN(CC)C(=O)COC1=C2C3=C(C(=C1)NC(=O)C(=CC=CC(C(C(C(C(C(C(C(C=COC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)C)O","VFYNXKZVOUXHDX-ZDOWLDHSSA-N","5382104",NA,"PDBC52385","133099","Present"
-"Rilzabrutinib","","","","","","","","","","","","","","","","","","","","PRN-1008","","CC(C)(C=C(C#N)C(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N)N6CCN(CC6)C7COC7","LCFFREMLXLZNHE-GBOLQPHISA-N","73388818",NA,"PDBC52386","812901","Present"
-"Rimcazole","","","","","","","","","","","","","","","","","","","Rimcazole","","","CC1CN(CC(N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42","GUDVQJXODNJRIJ-CALCHBBNSA-N","53389",NA,"PDBC52387","","Absent"
-"Rimiterol Hydrobromide","","","","","","","","","","","","","","","","","","","","rimiterol hydrobromide","","C1CCNC(C1)C(C2=CC(=C(C=C2)O)O)O.Br","QPYZEEKXUYXZBK-UHFFFAOYSA-N","5458580",NA,"PDBC52388","289336","Present"
-"Ritanserin","","","","","","","","","","","","","","","","","","","","Ritanserin","","CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3","JUQLTPCYUFPYKE-UHFFFAOYSA-N","5074",NA,"PDBC52389","805597","Present"
-"Roblitinib","","","","","","","","","","","","","","","","","","","","FGF-401","","CN1CCN(C(=O)C1)CC2=C(N=C3C(=C2)CCCN3C(=O)NC4=NC=C(C(=C4)NCCOC)C#N)C=O","BHKDKKZMPODMIQ-UHFFFAOYSA-N","118036971",NA,"PDBC52390","804962","Present"
-"Rocaglamide","","","","","","","","","","","","","","","","","","","","Rocaglamide","","CN(C)C(=O)C1C(C2(C(C1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5","DAPAQENNNINUPW-IDAMAFBJSA-N","331783",NA,"PDBC52391","326408","Present"
-"Roccelline CS","","","","","","","","","","","","","","","","","","","","fast red v","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC4=C3C=CC=C4S(=O)(=O)O)O.[Na+]","XNQZZTFTKVKXOR-UHFFFAOYSA-N","135421963",NA,"PDBC52392","45205","Present"
-"Rogaratinib","","","","","","","","","","","","","","","","","","","","BAY-1163877","","CC1=CC2=C(C(=C1)OC)SC(=C2)C3=C4C(=NC=NN4C(=C3COC)CN5CCNC(=O)C5)N","HNLRRJSKGXOYNO-UHFFFAOYSA-N","71611869",NA,"PDBC52393","804518","Present"
-"Rogiolol","","","","","","","","","","","","","","","","","","","","Rogiolol","","CC1(C(C(CC(=C)C12CCC(C(C2)Br)(C)Cl)O)Br)C","KKDUTGUFMQDATD-BZDLPWPVSA-N","402519",NA,"PDBC52394","716545","Present"
-"Rogletimide","","","","","","","","","","","","","","","","","","","","Pyridoglutethimide","","CCC1(CCC(=O)NC1=O)C2=CC=NC=C2","QXKJWHWUDVQATH-UHFFFAOYSA-N","56487",NA,"PDBC52395","619778","Present"
-"Rollidecin B","","","","","","","","","","","","","","","","","","","","Rollidecin B","","CCCCCCCCCCC(C(CCC(C1CCC(O1)C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O","XPAKKKLOWFSUAV-VHANIVQDSA-N","393468",NA,"PDBC52396","695401","Present"
-"Rollitacin","","","","","","","","","","","","","","","","","","","","Rollitacin","","CCCCCC(C(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)O)O)O)O","SWLPIUHJTSWWOJ-RINKTZIGSA-N","393469",NA,"PDBC52397","695402","Present"
-"Roridin A,10B-epoxy-","","","","","","","","","","","","","","","","","","","","Roridin A, 8-hydroxy-9B,10B-epoxy-","","CC1CCOC(C=CC=CC(=O)OC2CC3C4(C2(C5(CC(C6(C(C5O3)O6)C)O)COC(=O)C1O)C)CO4)C(C)O","DYIWWIJYZCGJAG-KQQUZDAGSA-N","5477527",NA,"PDBC52398","327993","Present"
-"Roritoxin B from m. roridum","","","","","","","","","","","","","","","","","","","","Roritoxin B from m. roridum","","CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(C6O)O)C=CC=CC(=O)OC7C3(C8(CO8)C(C7)O2)C","WWNGAYLSKFTSBS-KCEUJNKSSA-N","54602701",NA,"PDBC52399","603724","Present"
-"Rosamicin","","","","","","","","","","","","","","","","","","","","Rosamicin","","CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)CC=O)C)C)C","IUPCWCLVECYZRV-ZRDIBKRKSA-N","5383587",NA,"PDBC52400","175150","Present"
-"Roseophilin, HCl salt","","","","","","","","","","","","","","","","","","","","Roseophilin, HCl salt","","CC(C)C1C2CCCCCCCCC3=NC(=C2C4=C(C=C(O4)C5=C(C=CN5)Cl)OC)C1=C3.Cl","YMPPSVBDNLVOPI-UHFFFAOYSA-N","135499311",NA,"PDBC52401","650718","Present"
-"Roserine","","","","","","","","","","","","","","","","","","","","roserine","","COC1=C(C(=C2C=[N+]3CCC4C3=C(C2=C1)CCC4)OC)OC.[Cl-]","GAGYWNMHSSQDPR-UHFFFAOYSA-M","395426",NA,"PDBC52402","699962","Present"
-"Rosmarinine","","","","","","","","","","","","","","","","","","","","Rosmarinine","","CC=C1CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1=O)O)(C)O)C","YEXVXKIMPBHRQR-WCIBSUBMSA-N","12315046",NA,"PDBC52403","125830","Present"
-"Rosuvastatin(1-)","","","","","","","","","","","","","","","","","","","","Rosuvastatin calcium","","CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C","BPRHUIZQVSMCRT-VEUZHWNKSA-M","9869776",NA,"PDBC52404","779708","Present"
-"Rubescensin A (Oridonin) [Rabdosia diterpenoid]","","","","","","","","","","","","","","","","","","","","Rubescensin A (Oridonin) [Rabdosia diterpenoid]","","CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C","SDHTXBWLVGWJFT-AKQQBLALSA-N","5459168",NA,"PDBC52405","637458","Present"
-"Rubijervine","","","","","","","","","","","","","","","","","","","","rubijervin","","CC1CCC2C(C3C(N2C1)CC4C3(C(CC5C4CC=C6C5(CCC(C6)O)C)O)C)C","AANKDJLVHZQCFG-KVHNBARJSA-N","253295",NA,"PDBC52406","76026","Present"
-"Ruboxistaurin","","","","","","","","","","","","","","","","","LY-333531","","","Ruboxistaurin","","","","153999",NA,"PDBC52407","800873","Present"
-"Rubradirin","","","","","","","","","","","","","","","","","","","","Rubradirin","","","","",NA,"PDBC52408","99282","Present"
-"Rubremetinium chloride","","","","","","","","","","","","","","","","","","","","Rubremetinium chloride","","CCC1C[N+]2=C(C3=CC(=C(C=C3CC2)OC)OC)C4=C1C=C5N4CCC6=CC(=C(C=C65)OC)OC.[Cl-]","CRBBMSBWSQARPS-UHFFFAOYSA-M","5351504",NA,"PDBC52409","25463","Present"
-"Rubrolide A","","","","","","","","","","","","","","","","","","","","Rubrolide A","","C1=C(C=C(C(=C1Br)O)Br)C=C2C(=CC(=O)O2)C3=CC(=C(C(=C3)Br)O)Br","RQFYDYMMVXKTBY-BNNQUZSASA-N","6055630",NA,"PDBC52410","701303","Present"
-"Rubrolide N","","","","","","","","","","","","","","","","","","","","rubrolide n","","C1=CC(=C(C=C1C=C2C(=C(C(=O)O2)Br)C3=CC(=C(C=C3)O)Cl)Br)O","QHIKKPMDFHDGFT-NSIKDUERSA-N","5472704",NA,"PDBC52411","720857","Present"
-"Rubroskyrin","","","","","","","","","","","","","","","","","","","","(-)-Ruboskyrin","","CC1=CC(=C2C(=C1O)C(=O)C34C(C(CC(=O)C3=C2O)O)C5C(C4C(=O)C6=C5C(=C7C(=C6O)C(=O)C=C(C7=O)C)O)O)O","YYTIAXCFTFIIPI-UHFFFAOYSA-N","119082",NA,"PDBC52412","249991","Present"
-"Rucaparib","","","","","","","","","","","","","","","","","","","","Rucaparib","","CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2","HMABYWSNWIZPAG-UHFFFAOYSA-N","9931954",NA,"PDBC52413","756644","Present"
-"Rugulovasine A-hcl","","","","","","","","","","","","","","","","","","","","rugulovasine a-hcl///rugulovasine b-hcl","","CC1=CC2(C(CC3=CNC4=CC=CC2=C34)NC)OC1=O.Cl","XFVPIVICOOPQGN-UHFFFAOYSA-N","24193462",NA,"PDBC52414","152467///152468","Present"
-"Rustaiyan A","","","","","","","","","","","","","","","","","","","","RUSTAIYAN A","","CC(=C)C(=O)OC1CC2=CC(CC3(C(O3)C4C1C(=C)C(=O)O4)C)OC2=O","WIQOUTANBFOBPB-UHFFFAOYSA-N","324967",NA,"PDBC52415","292206","Present"
-"Rutacridone","","","","","","","","","","","","","","","","","","","","rutacridone (8ci)","","CC(=C)C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O","FHAGACMCMQYSNX-UHFFFAOYSA-N","5281849",NA,"PDBC52416","628875","Present"
-"Rutacridone epoxide","","","","","","","","","","","","","","","","","","","","Rutacridone epoxide","","CC1(CO1)C2CC3=C(O2)C=C(C4=C3N(C5=CC=CC=C5C4=O)C)O","YXQGLAPCZDYVLL-UHFFFAOYSA-N","5281850",NA,"PDBC52417","383031","Present"
-"Rutaecarpine","","","","","","","","","","","","","","","","","","","","Rhetine","","C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4","ACVGWSKVRYFWRP-UHFFFAOYSA-N","65752",NA,"PDBC52418","258317","Present"
-"Rutagravine","","","","","","","","","","","","","","","","","","","","Rutagravine","","CC1(COC2C1OC3=C2C4=C(C(=C3)O)C(=O)C5=CC=CC=C5N4C)O","SWALXCKAJQTSAC-UHFFFAOYSA-N","5465778",NA,"PDBC52419","661203","Present"
-"Ryanodine","","","","","","","","","","","","","","","","","","","","Ryanodine","","CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O","JJSYXNQGLHBRRK-UHFFFAOYSA-N","5114",NA,"PDBC52420","114572","Present"
-"S-(1-(1,3-Benzodioxol-5-yl)-2-(hydroxy(oxido)amino)ethyl) ethanethioate","","","","","","","","","","","","","","","","","","","","S-(1-(1,3-Benzodioxol-5-yl)-2-(hydroxy(oxido)amino)ethyl) ethanethioate","","CC(=O)SC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2","BQVOGCHEJCUTMP-UHFFFAOYSA-N","379575",NA,"PDBC52421","664264","Present"
-"S-(1-Naphthylmethyl) 4-chlorobenzenecarbothioate","","","","","","","","","","","","","","","","","","","","S-(1-Naphthylmethyl) 4-chlorobenzenecarbothioate","","C1=CC=C2C(=C1)C=CC=C2CSC(=O)C3=CC=C(C=C3)Cl","OTXRCGNMRLBGID-UHFFFAOYSA-N","235043",NA,"PDBC52422","35991","Present"
-"S-(2-(((4-Methylphenyl)sulfonyl)amino)ethyl) 4-methylbenzenesulfonothioate","","","","","","","","","","","","","","","","","","","","S-2-(4-Methylphenylsulfonamido)ethyl 4-methyl benzenesul...","","CC1=CC=C(C=C1)S(=O)(=O)NCCSS(=O)(=O)C2=CC=C(C=C2)C","FQWORAHSQAIMEB-UHFFFAOYSA-N","373720",NA,"PDBC52423","650621","Present"
-"S-(2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl) thiocarbamate","","","","","","","","","","","","","","","","","","","","S-(2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl) thiocarbamate","","C1CC2=C(C=CC3=C2C1=CC=C3)NC(=O)CSC(=O)N","HDJGVLFSLRJOCK-UHFFFAOYSA-N","387859",NA,"PDBC52424","682070","Present"
-"S-(2-(Ethylamino)-2-iminoethyl) hydrogen thiosulfate","","","","","","","","","","","","","","","","","","","","S-(2-(Ethylamino)-2-iminoethyl) hydrogen thiosulfate","","CCN=C(CSS(=O)(=O)O)N","OPRWASLSDWMPNH-UHFFFAOYSA-N","302481",NA,"PDBC52425","187538","Present"
-"S-(2-Acetamidoethyl) benzenecarbothioate","","","","","","","","","","","","","","","","","","","","acetamide, n-(2-mercaptoethyl)-, benzoate (6ci, 7ci)","","CC(=O)NCCSC(=O)C1=CC=CC=C1","FFSICNPQENQANW-UHFFFAOYSA-N","281604",NA,"PDBC52426","134459","Present"
-"S-(2-Hydroxyethyl) N-(2-chloroethyl)carbamothioate","","","","","","","","","","","","","","","","","","","","MCS-798","","C(CCl)NC(=O)SCCO","FRGRBTVTBPOAIY-UHFFFAOYSA-N","369332",NA,"PDBC52427","641086","Present"
-"S-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl) N-(2,2,2-trichloroethoxysulfonyl)carbamothioate","","","","","","","","","","","","","","","","","","","","S-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl) N-(2,2,2-trichloroethoxysulfonyl)carbamothioate","","C(CSC(=O)NS(=O)(=O)OCC(Cl)(Cl)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","GRVDESNZZJLAKF-UHFFFAOYSA-N","403340",NA,"PDBC52428","718130","Present"
-"S-(3,5-Dioxo-2H-1,2,4-triazin-6-yl) phenazine-1-carbothioate","","","","","","","","","","","","","","","","","","","","S-(3,5-Dioxo-2H-1,2,4-triazin-6-yl) phenazine-1-carbothioate","","C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)SC4=NNC(=O)NC4=O","HHTILRLLLMYAML-UHFFFAOYSA-N","403975",NA,"PDBC52429","719923","Present"
-"S-(3-(Hydroxy(oxido)amino)imidazo[1,2-a]pyridin-2-yl)cysteine","","","","","","","","","","","","","","","","","","","","S-(3-(Hydroxy(oxido)amino)imidazo[1,2-a]pyridin-2-yl)cysteine","","C1=CC2=NC(=C(N2C=C1)[N+](=O)[O-])SCC(C(=O)O)N","DSQHYQZBKPIFIF-UHFFFAOYSA-N","325414",NA,"PDBC52430","294149","Present"
-"S-(3-Ethyl-2,5-dioxo-1-pyrrolidinyl)cysteine","","","","","","","","","","","","","","","","","","","","S-(3-Ethyl-2,5-dioxo-1-pyrrolidinyl)cysteine","","CCC1CC(=O)N(C1=O)SCC(C(=O)O)N","RDZLYOIFGCWYEV-UHFFFAOYSA-N","262556",NA,"PDBC52431","96396","Present"
-"S-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)cysteine","","","","","","","","","","","","","","","","","","","","S-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)cysteine","","CC1(CC(=O)NC1=O)SCC(C(=O)O)N","UTXWCUTZQFLTQJ-UHFFFAOYSA-N","375571",NA,"PDBC52432","655358","Present"
-"S-(4,5-Dihydro-1H-imidazol-2-yl) naphthalene-1-carbothioate","","","","","","","","","","","","","","","","","","","","S-(4,5-Dihydro-1H-imidazol-2-yl) naphthalene-1-carbothioate","","C1CN=C(N1)SC(=O)C2=CC=CC3=CC=CC=C32","IJUFOGYTKJPQBU-UHFFFAOYSA-N","389915",NA,"PDBC52433","686566","Present"
-"S-(4-(((4-Chlorophenyl)(dioxido)sulfanyl)thio)butyl) 4-chlorobenzenesulfonothioate","","","","","","","","","","","","","","","","","","","","S-(4-(((4-Chlorophenyl)(dioxido)sulfanyl)thio)butyl) 4-chlorobenzenesulfonothioate","","C1=CC(=CC=C1S(=O)(=O)SCCCCSS(=O)(=O)C2=CC=C(C=C2)Cl)Cl","QCNGWZHGHASCOX-UHFFFAOYSA-N","281442",NA,"PDBC52434","134227","Present"
-"S-(4-Benzoylbenzyl)-N-(tert-butoxycarbonyl)cysteine","","","","","","","","","","","","","","","","","","","","S-(4-Benzoylbenzyl)-N-(tert-butoxycarbonyl)cysteine","","CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O","JEFUTBWRCLLDDI-UHFFFAOYSA-N","384901",NA,"PDBC52435","675589","Present"
-"S-(4-Chlorophenyl) methanesulfonothioate","","","","","","","","","","","","","","","","","","","","S-(4-Chlorophenyl) methanesulfonothioate","","CS(=O)(=O)SC1=CC=C(C=C1)Cl","HRDUILPJXCHZPN-UHFFFAOYSA-N","237181",NA,"PDBC52436","40484","Present"
-"S-(4-Iodobenzyl)cysteine","","","","","","","","","","","","","","","","","","","","S-(4-Iodobenzyl)cysteine","","C1=CC(=CC=C1CSCC(C(=O)O)N)I","HTQDGUXVWLEMQW-UHFFFAOYSA-N","236951",NA,"PDBC52437","40016","Present"
-"S-(4-Methoxyphenyl) 4-methoxybenzenesulfonothioate","","","","","","","","","","","","","","","","","","","","UVFDAEOUCRNSKO-UHFFFAOYSA-N","","COC1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)OC","UVFDAEOUCRNSKO-UHFFFAOYSA-N","363177",NA,"PDBC52438","627781","Present"
-"S-(4-Methylphenyl) 4-(cyclohexylamino)-2-thioxo-1,3-diazaspiro[4.5]dec-3-ene-1-carbothioate","","","","","","","","","","","","","","","","","","","","S-(4-Methylphenyl) 4-(cyclohexylamino)-2-thioxo-1,3-diazaspiro[4.5]dec-3-ene-1-carbothioate","","CC1=CC=C(C=C1)SC(=O)N2C(=S)NC(=NC3CCCCC3)C24CCCCC4","YDTXDAOLZRSJIJ-UHFFFAOYSA-N","135409101",NA,"PDBC52439","657960","Present"
-"S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(2,4-dichloro-5-me thylphenylsulfonyl)-4-methylbenzothiohydrazonate","","","","","","","","","","","","","","","","","","","","S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(2,4-dichloro-...","","CC1=CC=C(C=C1)C(=NNS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)Cl)SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N","QSPFHNXYCCBBGY-QYQHSDTDSA-N","23625287",NA,"PDBC52440","728500","Present"
-"S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(4-chlorophenylsul fonyl)-4-chlorobenzothio-hydrazonate","","","","","","","","","","","","","","","","","","","","S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(4-chloropheny...","","CC1=CC(=C(C=C1Cl)SC(=NNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)S(=O)(=O)N","UNRBHSNPQBRALC-QQTULTPQSA-N","23625139",NA,"PDBC52441","731389","Present"
-"S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(4-nitrophenylsulf onyl)-4-methyl-benzothiohydrazonate","","","","","","","","","","","","","","","","","","","","S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(4-nitrophenyl...","","CC1=CC=C(C=C1)C(=NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N","GUOWZEZAKFJTHZ-FLFQWRMESA-N","23625289",NA,"PDBC52442","728499","Present"
-"S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-2,4-dichloro-5-met hylphenylsulfonyl)-4-chlorobenzothiohydrazonate","","","","","","","","","","","","","","","","","","","","S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-2,4-dichloro-5...","","CC1=CC(=C(C=C1Cl)SC(=NNS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)Cl)C3=CC=C(C=C3)Cl)S(=O)(=O)N","PXKXHFOJKHSCAO-MEFGMAGPSA-N","23625290",NA,"PDBC52443","731390","Present"
-"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-furancarbothioate","","","","","","","","","","","","","","","","","","","","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-furancarbothioate","","C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CO5","NYWQABGAAHXFHX-UHFFFAOYSA-N","383066",NA,"PDBC52444","671110","Present"
-"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-methyl-2-phenoxypropanethioate","","","","","","","","","","","","","","","","","","","","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-methyl-2-phenoxypropanethioate","","CC(C)(C(=O)SC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)OC5=CC=CC=C5","NVSUAFQQCJNPQF-UHFFFAOYSA-N","383061",NA,"PDBC52445","671105","Present"
-"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-thiophenecarbothioate","","","","","","","","","","","","","","","","","","","","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-thiophenecarbothioate","","C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CS5","NLZIXJGORZCLDB-UHFFFAOYSA-N","383065",NA,"PDBC52446","671109","Present"
-"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-chlorobenzenecarbothioate","","","","","","","","","","","","","","","","","","","","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-chlorobenzenecarbothioate","","C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=C(C=C5)Cl","SITUQQOMTQNTHB-UHFFFAOYSA-N","383064",NA,"PDBC52447","671108","Present"
-"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-methoxybenzenecarbothioate","","","","","","","","","","","","","","","","","","","","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-methoxybenzenecarbothioate","","COC1=CC=C(C=C1)C(=O)SC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","HLSLOFLLOQGHHK-UHFFFAOYSA-N","383063",NA,"PDBC52448","671107","Present"
-"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) benzenecarbothioate","","","","","","","","","","","","","","","","","","","","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) benzenecarbothioate","","C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CC=C5","RVNJSEKLTWFQPM-UHFFFAOYSA-N","383062",NA,"PDBC52449","671106","Present"
-"S-(9H-Fluoren-9-yl)cysteine","","","","","","","","","","","","","","","","","","","","S-(9H-Fluoren-9-yl)cysteine","","C1=CC=C2C(=C1)C(C3=CC=CC=C32)SCC(C(=O)O)N","KZPJGVYMBWYDMV-UHFFFAOYSA-N","275520",NA,"PDBC52450","122405","Present"
-"S-(Diethylarsino)-3-mercapto-1,2-propanediol","","","","","","","","","","","","","","","","","","","","S-(diethylarsino)-3-mercapto-1,2-propanediol","","CC[As](CC)SCC(CO)O","NTRDIXNRWQASAZ-UHFFFAOYSA-N","406476",NA,"PDBC52451","724597","Present"
-"S-(Diisopropylarsino)-3-mercapto-1,2-propanediol","","","","","","","","","","","","","","","","","","","","S-(diisopropylarsino)-3-mercapto-1,2-propanediol","","CC(C)[As](C(C)C)SCC(CO)O","BKAVMIAREOTDPR-UHFFFAOYSA-N","406478",NA,"PDBC52452","724599","Present"
-"S-(Dimethylarsino)-3-mercapto-1,2-propanediol","","","","","","","","","","","","","","","","","","","","S-(dimethylarsino)-3-mercapto-1,2-propanediol","","C[As](C)SCC(CO)O","FVXVTPBIFULFRU-UHFFFAOYSA-N","406475",NA,"PDBC52453","724596","Present"
-"S-(Dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-phenylacetate","","","","","","","","","","","","","","","","","","","","S-(dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-p...","","C[As](C)SCC(COC(=O)C(C1=CC=CC=C1)Cl)OC(=O)C(C2=CC=CC=C2)Cl","SNSGULBHZHJFPY-UHFFFAOYSA-N","406482",NA,"PDBC52454","724603","Present"
-"S-(Dimethylarsino)-3-mercapto-1,2-propyl diacetate","","","","","","","","","","","","","","","","","","","","S-(dimethylarsino)-3-mercapto-1,2-propyl diacetate","","CC(=O)OCC(CS[As](C)C)OC(=O)C","WOCSEHQYFVWGTQ-UHFFFAOYSA-N","406479",NA,"PDBC52455","724600","Present"
-"S-(Dimethylarsino)-3-mercapto-1,2-propyl dibenzoate","","","","","","","","","","","","","","","","","","","","S-(dimethylarsino)-3-mercapto-1,2-propyl dibenzoate","","C[As](C)SCC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2","VYMIUTJJAODVSX-UHFFFAOYSA-N","406481",NA,"PDBC52456","724602","Present"
-"S-(Dimethylarsino)-3-mercapto-1,2-propyl dinonanoate","","","","","","","","","","","","","","","","","","","","S-(dimethylarsino)-3-mercapto-1,2-propyl dinonanoate","","CCCCCCCCC(=O)OCC(CS[As](C)C)OC(=O)CCCCCCCC","QKXQMXJWKTXCJW-UHFFFAOYSA-N","406480",NA,"PDBC52457","724601","Present"
-"S-(Dioxido(phenyl)sulfanyl)cysteine","","","","","","","","","","","","","","","","","","","","S-(Dioxido(phenyl)sulfanyl)cysteine","","C1=CC=C(C=C1)S(=O)(=O)SCC(C(=O)O)N","YKYWKTOUPAICGF-UHFFFAOYSA-N","379491",NA,"PDBC52458","664152","Present"
-"S-(N-Hydroxy N-methylcarbamoyl) glutathione [glycyl]-O-ethyl ester","","","","","","","","","","","","","","","","","","","","S-(N-hydroxy N-methylcarbamoyl) glutathione [glycyl]-O-e...","","CCOC(=O)CNC(=O)C(CSC(=O)N(C)O)NC(=O)CCC(C(=O)O)N.CC(=O)O","SPAJIBXZQMWJOA-UHFFFAOYSA-N","372115",NA,"PDBC52459","647037","Present"
-"S-(N-Hydroxy N-methylcarbamoyl)-glutathione","","","","","","","","","","","","","","","","","","","","S-(N-hydroxy N-methylcarbamoyl)-glutathione","","CC(=O)O.CN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","IZORHBICPPIBTR-UHFFFAOYSA-N","372113",NA,"PDBC52460","647036","Present"
-"S-(N-Methylcarbamoyl)cysteine","","","","","","","","","","","","","","","","","","","","S-(N-methylcarbamoyl)cysteine","","CNC(=O)SCC(C(=O)O)N","OCFIRCHPJWLACG-UHFFFAOYSA-N","363176",NA,"PDBC52461","627780","Present"
-"S-(N-methylcarbamoyl)glutathione","","","","","","","","","","","","","","","","","","","","S-(N-methylcarbamoyl)glutathione","","CNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","ROWIKVIWEBGFSY-UHFFFAOYSA-N","363175",NA,"PDBC52462","627779","Present"
-"S-(Tert-Butyl) 4-methylbenzenesulfonothioate","","","","","","","","","","","","","","","","","","","","D38O9IQK3G","","CC1=CC=C(C=C1)S(=O)(=O)SC(C)(C)C","DWUPUYSPVAQOBQ-UHFFFAOYSA-N","334893",NA,"PDBC52463","342017","Present"
-"S-(Tris(4-methoxyphenyl)methyl)cysteine","","","","","","","","","","","","","","","","","","","","S-(Tris(4-methoxyphenyl)methyl)cysteine","","COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)SCC(C(=O)O)N","SQSXVIUUCXLCSR-UHFFFAOYSA-N","379647",NA,"PDBC52464","664407","Present"
-"S-2-Ketopentadecyl Coenzyme A, Sodium Salt","","","","","","","","","","","","","","","","","","","","S-2-Ketopentadecyl Coenzyme A, Sodium Salt","","CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O.[Na+]","CKJXZCVSGMPTDR-ZQGDKKGGSA-N","54602081",NA,"PDBC52465","618486","Present"
-"S-49076 Analog (derivative)","","","","","","","","","","","","","","","","","","","","S-49076","","C1COCCN1CC2=CNC(=C2)C=C3C4=C(C=CC(=C4)CN5CCOC5=O)NC3=O","AEKWTDDJNINWDU-ODLFYWEKSA-N","66636377",NA,"PDBC52466","765672","Present"
-"S-63845","","","","","","","","","","","","","","","","","","","","S-63845","","CC1=C(C=CC(=C1Cl)OCCN2CCN(CC2)C)C3=C(SC4=NC=NC(=C34)OC(CC5=CC=CC=C5OCC6=CC=NN6CC(F)(F)F)C(=O)O)C7=CC=C(O7)F","ZFBHXVOCZBPADE-SSEXGKCCSA-N","122197581",NA,"PDBC52467","798846","Present"
-"S-64315","","","","","","","","","","","","","","","","","","","","S-64315","","CC1=C(C=CC(=C1Cl)OCCN2CCN(CC2)C)C3=C(SC4=NC=NC(=C34)OC(CC5=CC=CC=C5OCC6=NC(=NC=C6)C7=CC=CC=C7OC)C(=O)O)C8=CC=C(C=C8)F","PKYIMGFMRFVOMB-LDLOPFEMSA-N","118157243",NA,"PDBC52468","809971","Present"
-"S-Adenosyl-(5')-1,8-diamino-3-thiooctane","","","","","","","","","","","","","","","","","","","","S-Adenosyl-(5')-1,8-diamino-3-thiooctane","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSC(CCCCCN)CCN)O)O)N","YETXSQDQSWLLJR-UHFFFAOYSA-N","338863",NA,"PDBC52469","363232","Present"
-"S-Allyl ethanethioate","","","","","","","","","","","","","","","","","","","","Allylthioacetate","","CC(=O)SCC=C","MIRAUQNBKACECA-UHFFFAOYSA-N","355644",NA,"PDBC52470","609696","Present"
-"S-Allylthio 6mercaptopurine","","","","","","","","","","","","","","","","","","","","S-allylthio 6mercaptopurine","","C=CCSSC1C2=C(NC=N1)N=CN2","YJUPROCVQPJJRN-UHFFFAOYSA-N","54613414",NA,"PDBC52471","748642","Present"
-"S-Allylthio mercaptopurine riboside","","","","","","","","","","","","","","","","","","","","S-allylthio mercaptopurine riboside","","C=CCSSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O","UPMVDGSUFKTPMZ-UHFFFAOYSA-N","54613413",NA,"PDBC52472","748641","Present"
-"S-Benzoylcysteine","","","","","","","","","","","","","","","","","","","","S-Benzoylcysteine","","C1=CC=C(C=C1)C(=O)SCC(C(=O)O)N","OWZIPHGMKGSDNS-UHFFFAOYSA-N","262741",NA,"PDBC52473","96678","Present"
-"S-Benzyl 4-methylbenzenesulfonothioate","","","","","","","","","","","","","","","","","","","","S-BENZYL P-TOLUENETHIOSULFONATE","","CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC=C2","AJHXMWXYVYOBQI-UHFFFAOYSA-N","276623",NA,"PDBC52474","124784","Present"
-"S-Benzyl S'-(3-oxo-3-m-tolyl-prop-1-en-1-yl) cyanimidodithiocarbonate","","","","","","","","","","","","","","","","","","","","S-Benzyl S'-(3-oxo-3-m-tolyl-prop-1-en-1-yl) cyanimidodi...","","CC1=CC(=CC=C1)C(=O)C=CSC(=NC#N)SCC2=CC=CC=C2","PNRQPBLLIOPXRQ-OCSQOWRYSA-N","9572733",NA,"PDBC52475","725058","Present"
-"S-Butyl N-octylcarbamothioate","","","","","","","","","","","","","","","","","","","","S-Butyl N-octylcarbamothioate","","CCCCCCCCNC(=O)SCCCC","USVQWVUNYYEPHU-UHFFFAOYSA-N","362882",NA,"PDBC52476","627354","Present"
-"S-Carbamyl-DL-homocysteine","","","","","","","","","","","","","","","","","","","","S-Carbamyl-DL-homocysteine","","C(CSC(=O)N)C(C(=O)O)N","XKDPGKIUOGWBKL-UHFFFAOYSA-N","376747",NA,"PDBC52477","657801","Present"
-"S-DL-2-Bromotetradecanoyl Coenzyme A, Sodium Salt","","","","","","","","","","","","","","","","","","","","S-DL-2-Bromotetradecanoyl Coenzyme A, Sodium Salt","","CCCCCCCCCCCCC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)Br.[Na+]","FABBEKUPSYIMFL-VCVZYKBSSA-N","54608043",NA,"PDBC52478","619027","Present"
-"S-Decyl p-toluenethiosulfonate","","","","","","","","","","","","","","","","","","","","s-decyl p-toluenethiosulfonate","","CCCCCCCCCCSS(=O)(=O)C1=CC=C(C=C1)C","BJWRHSVAOWXOSZ-UHFFFAOYSA-N","97461",NA,"PDBC52479","124770","Present"
-"S-Deoxo-(R)-sparasomycin","","","","","","","","","","","","","","","","","","","","S-Deoxo-(R)-sparasomycin","","CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CSCSC","LJFIHLCSTKGOGE-ONEGZZNKSA-N","5458438",NA,"PDBC52480","212568","Present"
-"S-Dichlorovinyl-L-cysteine","","","","","","","","","","","","","","","","","","","","DCVC","","C(C(C(=O)O)N)SC(=CCl)Cl","PJIHCWJOTSJIPQ-DAFODLJHSA-N","5473611",NA,"PDBC52481","15830","Present"
-"S-Dimethoxytritylmercaptoethanol","","","","","","","","","","","","","","","","","","","","S-Dimethoxytritylmercaptoethanol","","COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)SCCO","YFOPZJSUVYFWLU-UHFFFAOYSA-N","399497",NA,"PDBC52482","710358","Present"
-"S-Dimethylarsinogluthaione, pyridinium hydrochloride","","","","","","","","","","","","","","","","","","","","darinaparsin pyridinium hyrochloride","","C[As](C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.C1=CC=NC=C1.Cl","WHZWHJPOVYZZDR-UHFFFAOYSA-N","405069",NA,"PDBC52483","721951","Present"
-"S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate","","","","","","","","","","","","","","","","","","","","1(2H)-Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-e...","","CCSC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N","RRBZCSKOQKCQJF-UHFFFAOYSA-N","296105",NA,"PDBC52484","165897","Present"
-"S-Ethyl 2-methyl-3-oxooctahydro-1-benzofuran-2-carbothioate","","","","","","","","","","","","","","","","","","","","S-Ethyl 2-methyl-3-oxooctahydro-1-benzofuran-2-carbothioate","","CCSC(=O)C1(C(=O)C2CCCCC2O1)C","QLFKSVDJEQAUTM-UHFFFAOYSA-N","362783",NA,"PDBC52485","627060","Present"
-"S-Hexadecyl methanethiosulfonate","","","","","","","","","","","","","","","","","","","","S-Hexadecyl methanethiosulfonate","","CCCCCCCCCCCCCCCCSS(=O)(=O)C","GIJWOCGDZZKJAD-UHFFFAOYSA-N","97458",NA,"PDBC52486","124764","Present"
-"S-Methyl (2Z)-2-[(5Z)-5-(2-methylsulfanyl-2-oxoethylidene)-1,2,4-trithiolan-3-ylidene]ethanethioate","","","","","","","","","","","","","","","","","","","","Ethanethioic acid, 2,2'-(1,2,4-trithiolan- 3,5-diylidene...","","CSC(=O)C=C1SC(=CC(=O)SC)SS1","AKKALYDXRQVGOK-VHOZIDCHSA-N","5468853",NA,"PDBC52487","677907","Present"
-"S-Methyl 4-hydroxy-2-(methylthio)-3-phenyl-1,3lambda~5~-thiazole-5-carbothioate","","","","","","","","","","","","","","","","","","","","S-Methyl 4-hydroxy-2-(methylthio)-3-phenyl-1,3lambda~5~-thiazole-5-carbothioate","","CSC1=[N+](C(=C(S1)C(=O)SC)O)C2=CC=CC=C2","UXJRSCAVNNBOAT-UHFFFAOYSA-O","381566",NA,"PDBC52488","668355","Present"
-"S-Methyl S'-(3-naphth-1-yl-3-oxo-prop-1-en-1-yl) cyanimidodithiocarbonate","","","","","","","","","","","","","","","","","","","","S-Methyl S'-(3-naphth-1-yl-3-oxo-prop-1-en-1-yl) cyanimi...","","CSC(=NC#N)SC=CC(=O)C1=CC=CC2=CC=CC=C21","QLWCLXSQTYEDPY-TXDNOQHQSA-N","9572732",NA,"PDBC52489","725057","Present"
-"S-Methyl S'-(3-oxo-3-phenyl-prop-1-en-1-yl) cyan-imidodithiocarbonate","","","","","","","","","","","","","","","","","","","","S-Methyl S'-(3-oxo-3-phenyl-prop-1-en-1-yl) cyan-imidodi...","","CSC(=NC#N)SC=CC(=O)C1=CC=CC=C1","CJNJNNWNMMJZQB-BAHDFAMRSA-N","9572734",NA,"PDBC52490","725067","Present"
-"S-Methyl methanethiosulfonate","","","","","","","","","","","","","","","","","","","","Methanesulfonothioic acid, S-methyl ester (9CI)","","CSS(=O)(=O)C","XYONNSVDNIRXKZ-UHFFFAOYSA-N","18064",NA,"PDBC52491","21545","Present"
-"S-N-(Phenethylthiocarbamoyl)-L-glutathione","","","","","","","","","","","","","","","","","","","","S-N-(Phenethylthiocarbamoyl)-L-glutathione","","CC1=CC=C(C=C1)CCNC(=S)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","BFMSDLIJECEVBE-UHFFFAOYSA-N","3843668",NA,"PDBC52492","642704","Present"
-"S-Octyl butylthiocarbamate","","","","","","","","","","","","","","","","","","","","Carbamothioic acid, butyl-, S-octyl ester","","CCCCCCCCSC(=O)NCCCC","QQCRJBAXCMQBLQ-UHFFFAOYSA-N","362881",NA,"PDBC52493","627353","Present"
-"S-Phenyl 3-(4-(bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)-3-(phenylthio)-2-propenethioate","","","","","","","","","","","","","","","","","","","","S-Phenyl (E)-3-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]-3-phenylsulfanylprop-2-enethioate","","CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=C(C(=O)SC2=CC=CC=C2)NC(=O)C=CC3=CC=CC=C3)SC4=CC=CC=C4","ISKZJAMQSKIRFW-IZBGKCANSA-N","6477347",NA,"PDBC52494","645678","Present"
-"S-Phenyl 3-(4-(bis(2-cyanoethyl)amino)phenyl)-2-((2-chloro-5-(hydroxy(oxido)amino)benzoyl)amino)-3-(phenylthio)propanethioate","","","","","","","","","","","","","","","","","","","","S-Phenyl 3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]-3-phenylsulfanylpropanethioate","","C1=CC=C(C=C1)SC(C2=CC=C(C=C2)N(CCC#N)CCC#N)C(C(=O)SC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","UVCFIPGIXHLURX-UHFFFAOYSA-N","369126",NA,"PDBC52495","640674","Present"
-"S-Trityl-D-cysteine methyl ester hydrochloride","","","","","","","","","","","","","","","","","","","","(R)-Methyl 2-amino-3-(tritylthio)propanoate hydrochloride","","COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N.Cl","BBLIVDURNAQWLB-UHFFFAOYSA-N","24199543",NA,"PDBC52496","333329","Present"
-"S-Vinyl-DL-homocysteine","","","","","","","","","","","","","","","","","","","","S-Vinylhomocysteine","","C=CSCCC(C(=O)O)N","ZDASADFVRGVYFK-UHFFFAOYSA-N","55145",NA,"PDBC52497","642477","Present"
-"S-[(1,2-Benzisothiazol-2(3H)-yl)methyl] O-ethyl dithiocarbonate","","","","","","","","","","","","","","","","","","","","S-[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl...","","CCOC(=S)SCN1C(=O)C2=CC=CC=C2S1(=O)=O","LCVTVGXXRGWOGW-UHFFFAOYSA-N","16072465",NA,"PDBC52498","735184","Present"
-"S-[(2R,3R)-2,3-Dicyclohexyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate","","","","","","","","","","","","","","","","","","","","S-[(2R,3R)-2,3-Dicyclohexyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate","","C1CCC(CC1)C2C(OC3(O2)C=CC(=O)CC3SC(=O)C4=CC=CC=C4)C5CCCCC5","STDVYXCKSZTSQL-OPWSDZRHSA-N","404478",NA,"PDBC52499","720710","Present"
-"S-[(2R,3R)-8-Oxo-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate","","","","","","","","","","","","","","","","","","","","S-[(2R,3R)-8-Oxo-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate","","C1C(C2(C=CC1=O)OC(C(O2)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CC=C5","DCHHJPQHOLRHPT-OPWSDZRHSA-N","404474",NA,"PDBC52500","720706","Present"
-"S-[(2S,3S)-2,3-Bis[(2-methoxyphenyl)methyl]-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate","","","","","","","","","","","","","","","","","","","","S-[(2S,3S)-2,3-Bis[(2-methoxyphenyl)methyl]-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate","","COC1=CC=CC=C1CC2C(OC3(O2)C=CC(=O)CC3SC(=O)C4=CC=CC=C4)CC5=CC=CC=C5OC","IOFKSFCGQXUKRT-ASYYUYISSA-N","404476",NA,"PDBC52501","720708","Present"
-"S-[(2S,3S)-2,3-Dibenzyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate","","","","","","","","","","","","","","","","","","","","S-[(2S,3S)-2,3-Dibenzyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate","","C1C(C2(C=CC1=O)OC(C(O2)CC3=CC=CC=C3)CC4=CC=CC=C4)SC(=O)C5=CC=CC=C5","QQTHBGCALKKUCN-TXIPYEPDSA-N","404475",NA,"PDBC52502","720707","Present"
-"S-[2-(2-Hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)ethyl] ethanethioate","","","","","","","","","","","","","","","","","","","","S-[2-(2-Hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)ethyl] ethanethioate","","CC(=O)SCCC1C2=C(CCN1O)C3=CC=CC=C3N2","WFVXEFBRWNUGOG-UHFFFAOYSA-N","363006",NA,"PDBC52503","627545","Present"
-"S-[2-[(4-Chlorophenyl)carbamoyl]phenyl] propanethioate","","","","","","","","","","","","","","","","","","","","Propanethioic acid, S-[2-[[(4-chlorophenyl)amino]carbony...","","CCC(=O)SC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)Cl","KCOYXSPZCXGDKK-UHFFFAOYSA-N","332046",NA,"PDBC52504","327683","Present"
-"S-[2-[2-[2-[2-[2-[(2-Benzoylsulfanylacetyl)amino]-5-methoxyphenyl]sulfanylethyldisulfanyl]ethylsulfanyl]-4-methoxyanilino]-2-oxoethyl] benzenecarbothioate","","","","","","","","","","","","","","","","","","","","S-[2-[2-[2-[2-[2-[(2-Benzoylsulfanylacetyl)amino]-5-methoxyphenyl]sulfanylethyldisulfanyl]ethylsulfanyl]-4-methoxyanilino]-2-oxoethyl] benzenecarbothioate","","COC1=CC(=C(C=C1)NC(=O)CSC(=O)C2=CC=CC=C2)SCCSSCCSC3=C(C=CC(=C3)OC)NC(=O)CSC(=O)C4=CC=CC=C4","LSYSTZFQOSIIIY-UHFFFAOYSA-N","403667",NA,"PDBC52505","718742","Present"
-"S-[3-Diphenoxyphosphoryl-3-(phenylcarbamothioylamino)propyl] ethanethioate","","","","","","","","","","","","","","","","","","","","S-[3-Diphenoxyphosphoryl-3-(phenylcarbamothioylamino)propyl] ethanethioate","","CC(=O)SCCC(NC(=S)NC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3","OLKNURINDSYURV-UHFFFAOYSA-N","3005063",NA,"PDBC52506","669645","Present"
-"SANT-1","","","","","","","","","","","","","","","","","","","","SANT-1","","CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CCN(CC3)CC4=CC=CC=C4","FOORCIAZMIWALX-JJIBRWJFSA-N","6878030",NA,"PDBC52507","731871","Present"
-"SAPELIN A","","","","","","","","","","","","","","","","","","","","SAPELIN A","","CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(C(OC5)C(C)(C)O)O)C)C)C)O)C","YHJGJKRPDMVIKU-UHFFFAOYSA-N","320908",NA,"PDBC52508","270046","Present"
-"SAPELIN B","","","","","","","","","","","","","","","","","","","","SAPELIN B","","CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(C(C(OC5)(C)C)O)O)C)C)C)O)C","NIFGYDXBCZOSPH-UHFFFAOYSA-N","320909",NA,"PDBC52509","270047","Present"
-"SAR-125844","","","","","","","","","","","","","","","","","","","","SAR-125844","","C1COCCN1CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)SC4=NN=C5N4N=C(C=C5)C6=CC=C(C=C6)F","ODIUNTQOXRXOIV-UHFFFAOYSA-N","25182860",NA,"PDBC52510","771652","Present"
-"SAR-20347","","","","","","","","","","","","","","","","","","","","SAR-20347","","C1COCCN1C(=O)C2=CC=C(C=C2)NC3=C(N=C(O3)C4=C(C=CC=C4Cl)F)C(=O)N","HEDPDFHTQKEORT-UHFFFAOYSA-N","71727668",NA,"PDBC52511","798517","Present"
-"SAR-439859","","","","","","","","","","","","","","","","","","","","SAR-439859","","C1CC2=C(C=CC(=C2)C(=O)O)C(=C(C1)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OC5CCN(C5)CCCF","KISZAGQTIXIVAR-VWLOTQADSA-N","130232326",NA,"PDBC52512","827675","Present"
-"SAXXWQJHVLCOKN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SAXXWQJHVLCOKN-UHFFFAOYSA-N","","CC(C)C1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N","SAXXWQJHVLCOKN-UHFFFAOYSA-N","387808",NA,"PDBC52513","681880","Present"
-"SB-210313","","","","","","","","","","","","","","","","","","","","SB-210313","","C1COCCN1CCCN2C=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F","ANWALZPQHPAZFO-UHFFFAOYSA-N","9885504",NA,"PDBC52514","756414","Present"
-"SB-216385","","","","","","","","","","","","","","","","","","","","SB-216385","","C1COCCN1CCCN2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F","JDDSPCRIJZRHBB-UHFFFAOYSA-N","9800117",NA,"PDBC52515","756415","Present"
-"SB-220455","","","","","","","","","","","","","","","","","","","","SB-220455","","CN1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F","SVRAGOOKTLUHES-UHFFFAOYSA-N","22464113",NA,"PDBC52516","756418","Present"
-"SB-221466","","","","","","","","","","","","","","","","","","","","SB-221466","","CC1(CC(CC(N1)(C)C)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F)C","QQJUCFIPZAVTEU-UHFFFAOYSA-N","10475737",NA,"PDBC52517","756419","Present"
-"SB-223133","","","","","","","","","","","","","","","","","","","","SB-223133","","C1CC(CCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F)O","YNEJNUAUXPCFAS-UHFFFAOYSA-N","22464120",NA,"PDBC52518","756420","Present"
-"SB-226879","","","","","","","","","","","","","","","","","","","","SB-226879","","CN1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)NCCO)C4=CC=C(C=C4)F","XKOQKLFWCLUSAU-UHFFFAOYSA-N","44329036",NA,"PDBC52519","756421","Present"
-"SB-236687","","","","","","","","","","","","","","","","","","","","SB-236687","","CN1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)NC4=CC=CC=C4)C5=CC=C(C=C5)F","DOJXCIZDAFPMQV-UHFFFAOYSA-N","17892742",NA,"PDBC52520","756422","Present"
-"SB-239272","","","","","","","","","","","","","","","","","","","","SB-239272","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F","MLNSFBMGRWGGII-UHFFFAOYSA-N","15872388",NA,"PDBC52521","756423","Present"
-"SB-242717","","","","","","","","","","","","","","","","","","","","SB-242717","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)F)C5=CC=C(C=C5)F","XRMIXMGGCDFGRF-UHFFFAOYSA-N","9910722",NA,"PDBC52522","756424","Present"
-"SB-242718","","","","","","","","","","","","","","","","","","","","SB-242718","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)C(=O)N)C5=CC=C(C=C5)F","NRSWDNMMJZYTGV-UHFFFAOYSA-N","9890357",NA,"PDBC52523","756425","Present"
-"SB-242719","","","","","","","","","","","","","","","","","","","","SB-242719","","CCC1=CC=C(C=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F","GLWRGNCTKNNGMV-UHFFFAOYSA-N","10321190",NA,"PDBC52524","756426","Present"
-"SB-242721","","","","","","","","","","","","","","","","","","","","SB-242721","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)C#N)C5=CC=C(C=C5)F","JQHSODWZKVGCLV-UHFFFAOYSA-N","15872391",NA,"PDBC52525","756427","Present"
-"SB-245392","","","","","","","","","","","","","","","","","","","","SB-245392","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)OC5=CC=CC=C5)C6=CC=C(C=C6)F","QESOEGOVASIYOF-UHFFFAOYSA-N","15872400",NA,"PDBC52526","756428","Present"
-"SB-250715","","","","","","","","","","","","","","","","","","","","SB-250715","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)F","OYUMKIMOEUHNPB-UHFFFAOYSA-N","15872403",NA,"PDBC52527","756429","Present"
-"SB-251505","","","","","","","","","","","","","","","","","","","","SB-251505","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC(=CC=C4)F)C5=CC=C(C=C5)F","AKMVOBFZFANXPT-UHFFFAOYSA-N","15872404",NA,"PDBC52528","756430","Present"
-"SB-251527","","","","","","","","","","","","","","","","","","","","SB-251527","","COC1=CC=CC=C1OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F","RGWJYCCSHANDCO-UHFFFAOYSA-N","15872406",NA,"PDBC52529","756431","Present"
-"SB-253226","","","","","","","","","","","","","","","","","","","","SB-253226","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=CC(=C4)C(F)(F)F)C5=CC=C(C=C5)F","INPGJMSTKSQOMI-UHFFFAOYSA-N","15872407",NA,"PDBC52530","756432","Present"
-"SB-253228","","","","","","","","","","","","","","","","","","","","SB-253228","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC(=C(C=C4)F)F)C5=CC=C(C=C5)F","HIPGWLDSFHGAAY-UHFFFAOYSA-N","15872408",NA,"PDBC52531","756433","Present"
-"SB-254169","","","","","","","","","","","","","","","","","","","","SB-254169","","CS(=O)(=O)C1=CC=C(C=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F","NCIAOAAFFQTLIX-UHFFFAOYSA-N","15872409",NA,"PDBC52532","756434","Present"
-"SB-264865","","","","","","","","","","","","","","","","","","","","SB-264865","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=CC=C4CC(=O)N)C5=CC=C(C=C5)F","IZZFCONHZHYYET-UHFFFAOYSA-N","53239985",NA,"PDBC52533","756435","Present"
-"SB-264866","","","","","","","","","","","","","","","","","","","","SB-264866","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=CC=C4CCC(=O)N)C5=CC=C(C=C5)F","XLIWJFSCQYQXAI-UHFFFAOYSA-N","53239984",NA,"PDBC52534","756436","Present"
-"SB-278538","","","","","","","","","","","","","","","","","","","","SB-278538","","CC(C)(C)C1=CC=C(C=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F","ILMZGRFZRBXPAP-UHFFFAOYSA-N","18536613",NA,"PDBC52535","756437","Present"
-"SB-278539","","","","","","","","","","","","","","","","","","","","SB-278539","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F","ZTUCRQHYVRNKFG-UHFFFAOYSA-N","18536627",NA,"PDBC52536","756438","Present"
-"SB-284847-BT","","","","","","","","","","","","","","","","","","","","SB-284847-BT","","CC1=C(C(=CC=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F)C","YJNZNIAEANFDMJ-UHFFFAOYSA-N","18536630",NA,"PDBC52537","756439","Present"
-"SB-285234-W","","","","","","","","","","","","","","","","","","","","SB-285234-W","","C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)C(=O)[O-])C5=CC=C(C=C5)F","RJAGYFWKFUIEGD-UHFFFAOYSA-M","53239982",NA,"PDBC52538","756440","Present"
-"SB-347804","","","","","","","","","","","","","","","","","","","","SB-347804","","C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)F)C#N","ONINFKOEYCCERZ-UHFFFAOYSA-N","579429",NA,"PDBC52539","756442","Present"
-"SB-400868-A","","","","","","","","","","","","","","","","","","","","SB-400868-A","","C1CC2=NC(=C(N2C1)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5","MUYFXUIFVHSJSW-UHFFFAOYSA-N","10946675",NA,"PDBC52540","756449","Present"
-"SB-409513","","","","","","","","","","","","","","","","","","","","SB-409513","","C1=CC(=CC(=C1)Cl)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)Cl)C(=O)O","ONVZFCHLOZUXRP-UHFFFAOYSA-N","448008",NA,"PDBC52541","756450","Present"
-"SB-409514","","","","","","","","","","","","","","","","","","","","SB-409514","","C1=CC(=CC(=C1)Cl)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)O)Cl","YYGKSMKAYKZSBC-UHFFFAOYSA-N","6539478",NA,"PDBC52542","756451","Present"
-"SB-431533","","","","","","","","","","","","","","","","","","","","SB-431533","","C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)CO)C5=CC=CC=N5","OXDOLEPGFYPERU-UHFFFAOYSA-N","9951300",NA,"PDBC52543","756452","Present"
-"SB-437013","","","","","","","","","","","","","","","","","","","","SB-437013","","CN1C(=C(N=C1C2=CC=C(C=C2)S(=O)C)C3=CC=NC=C3)C4=CC5=C(C=C4)C=C(C=C5)OC","GVSGFNAEUPRUIM-UHFFFAOYSA-N","44433171",NA,"PDBC52544","756454","Present"
-"SB-476429-A","","","","","","","","","","","","","","","","","","","","SB-476429-A","","C1=CC(=CC=C1CN)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)O","UOHHVCYLYIQXFG-UHFFFAOYSA-N","22185379",NA,"PDBC52545","756455","Present"
-"SB-590885-AAD","","","","","","","","","","","","","","","","","","","","SB-590885-AAD","","CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5","MLSAQOINCGAULQ-QFMPWRQOSA-N","135421339",NA,"PDBC52546","756456","Present"
-"SB-610251-B","","","","","","","","","","","","","","","","","","","","SB-610251-B","","C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=CC=C4)O","KPDQHNUZQHJLSJ-UHFFFAOYSA-N","10638921",NA,"PDBC52547","756457","Present"
-"SB-614067-R","","","","","","","","","","","","","","","","","","","","SB-614067-R","","C1CNCCC1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5","XUFXPPUENFNHAF-ZXVVBBHZSA-N","135555486",NA,"PDBC52548","756458","Present"
-"SB-630812","","","","","","","","","","","","","","","","","","","","SB-630812","","CC1=C(C=CC(=C1)S(=O)C)C2=NC(=C(N2C)C3=CC4=C(C=C3)C=C(C=C4)OC)C5=CC=NC=C5","BARYYLFEOIUPEY-UHFFFAOYSA-N","24180608",NA,"PDBC52549","756459","Present"
-"SB-633825","","","","","","","","","","","","","","","","","","","","SB-633825","","CC1=C(C=CC(=C1)S(=O)(=O)C)C2=NC(=C(N2C)C3=CC4=C(C=C3)C=C(C=C4)OC)C5=CC=NC=C5","ZDSNJSQTPLXCSG-UHFFFAOYSA-N","44433173",NA,"PDBC52550","756460","Present"
-"SB-657836-AAA","","","","","","","","","","","","","","","","","","","","SB-657836-AAA","","C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCOCC3)C#N","CWJNUEJVFIPZQN-UHFFFAOYSA-N","826287",NA,"PDBC52551","756461","Present"
-"SB-682330-A","","","","","","","","","","","","","","","","","","","","SB-682330-A","","CN(C)CCOC1=CC=C(C=C1)C2=CC(=C(O2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5","MPEXJHMZOHYTRP-URGPHPNLSA-N","135547844",NA,"PDBC52552","756464","Present"
-"SB-686709-A","","","","","","","","","","","","","","","","","","","","SB-686709-A","","CCN1CCC(CC1)C(=O)NC2=NNC3=NN=C(C=C32)C4=C(C(=CC=C4)F)F","XMLJBPQUTWBABY-UHFFFAOYSA-N","6539563",NA,"PDBC52553","756465","Present"
-"SB-698596-AC","","","","","","","","","","","","","","","","","","","","SB-698596-AC","","CCN1CCC(CC1)CC(=O)NC2=NNC3=NN=C(C=C32)C4=C(C(=CC=C4)F)F","OGFGCRFMUGVFGM-UHFFFAOYSA-N","6539564",NA,"PDBC52554","756466","Present"
-"SB-711237","","","","","","","","","","","","","","","","","","","","SB-711237","","COC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=NN3)NC(=O)C4CC4","CFMHJOOAJUEZAN-UHFFFAOYSA-N","6539567",NA,"PDBC52555","756467","Present"
-"SB-734117","","","","","","","","","","","","","","","","","","","","SB-734117","","C1CCC(CC1)N2C3=C(C=NC=C3)N=C2C4=NON=C4N","JRYCXZUZWFHQPB-UHFFFAOYSA-N","44397032",NA,"PDBC52556","756472","Present"
-"SB-735465","","","","","","","","","","","","","","","","","","","","SB-735465","","C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=C(C=CC(=C4)F)F","UJERGWSOAWHUAX-UHFFFAOYSA-N","6539603",NA,"PDBC52557","756473","Present"
-"SB-735467","","","","","","","","","","","","","","","","","","","","SB-735467","","C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC=C(C=C4)F","FXJZPZMEETZHRB-UHFFFAOYSA-N","6539607",NA,"PDBC52558","756474","Present"
-"SB-736290","","","","","","","","","","","","","","","","","","","","SB-736290","","CN1C2=C(C=NC=C2)N=C1C3=NON=C3N","OHBDLKLACOYJNL-UHFFFAOYSA-N","11680113",NA,"PDBC52559","756475","Present"
-"SB-736302","","","","","","","","","","","","","","","","","","","","SB-736302","","C1CC1N2C3=C(C=NC=C3)N=C2C4=NON=C4N","CTCKXCOHXZAARD-UHFFFAOYSA-N","44397250",NA,"PDBC52560","756476","Present"
-"SB-737198","","","","","","","","","","","","","","","","","","","","SB-737198","","CCN1C2=C(C(=NC=C2)OCC)N=C1C3=NON=C3N","ATTRJLKUPUIICC-UHFFFAOYSA-N","44396990",NA,"PDBC52561","756477","Present"
-"SB-738482","","","","","","","","","","","","","","","","","","","","SB-738482","","C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC=C(C=C4)S(=O)(=O)N","ZZTJLVZEYMOZSD-UHFFFAOYSA-N","6539597",NA,"PDBC52562","756478","Present"
-"SB-738561","","","","","","","","","","","","","","","","","","","","SB-738561","","CCN1C2=C(C=CN=C2)N=C1C3=NON=C3N","XDQUYQKTDSDQRL-UHFFFAOYSA-N","44397010",NA,"PDBC52563","756479","Present"
-"SB-739452","","","","","","","","","","","","","","","","","","","","SB-739452","","C1CC1C(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=CO4","GVYKLTFFLMMUEN-UHFFFAOYSA-N","6539611",NA,"PDBC52564","756481","Present"
-"SB-741905","","","","","","","","","","","","","","","","","","","","SB-741905","","C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC(=CC=C4)S(=O)(=O)N","AXXSVTAXFAAJTE-UHFFFAOYSA-N","6539598",NA,"PDBC52565","756482","Present"
-"SB-743899","","","","","","","","","","","","","","","","","","","","SB-743899","","C1CC1C(=O)NC2=NNC3=C2C=CC(=N3)C4=CC=CO4","FJINJXZTEKDFRA-UHFFFAOYSA-N","6539592",NA,"PDBC52566","756485","Present"
-"SB-744941","","","","","","","","","","","","","","","","","","","","SB-744941","","CCN1C2=C(C(=NC=C2)N3CCCC3)N=C1C4=NON=C4N","XXTCPTVXBKEROM-UHFFFAOYSA-N","44397201",NA,"PDBC52567","756486","Present"
-"SB-750140","","","","","","","","","","","","","","","","","","","","SB-750140","","C1=CC(=CC=C1CN)N2C3=C(C=NC=C3)N=C2C4=NON=C4N","AFDUEISTJMYVSO-UHFFFAOYSA-N","44397453",NA,"PDBC52568","756487","Present"
-"SB-751148","","","","","","","","","","","","","","","","","","","","SB-751148","","CCC1=NC=CC2=C1N=C(N2CC)C3=NON=C3N","GMCZGAWPMLORCQ-UHFFFAOYSA-N","44397147",NA,"PDBC52569","756488","Present"
-"SB-751399","","","","","","","","","","","","","","","","","","","","SB-751399","","CN(C)CCCN1C2=C(C=NC=C2)N=C1C3=NON=C3N","KFWBJWDHALYVMK-UHFFFAOYSA-N","44397710",NA,"PDBC52570","756489","Present"
-"SB-759335-B","","","","","","","","","","","","","","","","","","","","SB-759335-B","","CCN1C2=C(C=NC=C2C(=O)N3CCNCC3)N=C1C4=NON=C4N","CUAJADFGIOFJQT-UHFFFAOYSA-N","25023717",NA,"PDBC52571","756490","Present"
-"SB-772077-B","","","","","","","","","","","","","","","","","","","","SB-772077-B","","CCN1C2=C(C=NC=C2C(=O)N3CCC(C3)N)N=C1C4=NON=C4N","PHWHNHYZZNJPLB-QMMMGPOBSA-N","16095343",NA,"PDBC52572","756491","Present"
-"SB-814597","","","","","","","","","","","","","","","","","","","","SB-814597","","C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C4=CC=CC=C43)F)C#N","WTBQHGKQMCKGNX-UHFFFAOYSA-N","44431824",NA,"PDBC52573","756492","Present"
-"SC-21","","","","","","","","","","","","","","","","","","","","SC-21","","CCCCCCCCCC(CCCC(CC(=O)O)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)C)OC(=O)C)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)OC(=O)CC(C)C)O)O","RUDJIQPCXRBNJF-UHFFFAOYSA-N","24205942",NA,"PDBC52574","737370","Present"
-"SC-24","","","","","","","","","","","","","","","","","","","","SC-24","","CCCCCCCCCC(CCCC(CC(=O)O)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)C)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O","WDRVTWMVHSLXIR-UHFFFAOYSA-N","24205940",NA,"PDBC52575","737368","Present"
-"SC-25","","","","","","","","","","","","","","","","","","","","SC-25","","CCCCCCCCCC(CCCC(CC(=O)O)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)C)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)OC(=O)CC(C)C)O)O","NGBYHQPDYZVFJL-UHFFFAOYSA-N","24205941",NA,"PDBC52576","737369","Present"
-"SC-28992","","","","","","","","","","","","","","","","","","","","SC-28992","","C1=CC=C(C(=C1)C(=O)C#CC2=CNC(=O)NC2=O)Cl","GZMIRCXQHWFEGW-UHFFFAOYSA-N","359099",NA,"PDBC52577","619675","Present"
-"SC-29677","","","","","","","","","","","","","","","","","","","","SC-29677","","CC1=CC=C(C=C1)S(=O)NC(C)(CC(=O)OC)C2=CC=CC=C2","IELXERIOKUYSQC-UHFFFAOYSA-N","380835",NA,"PDBC52578","666559","Present"
-"SC-33007","","","","","","","","","","","","","","","","","","","","SC-33007","","C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C=C2)O)(C4=C(C5=CC=CC=C5C=C4)O)O","GFHLSVFXRWFTIQ-UHFFFAOYSA-N","224978",NA,"PDBC52579","13984","Present"
-"SC-34715","","","","","","","","","","","","","","","","","","","","SC-34715","","CN1C(=O)CC(C1=O)C2=NC(=CC=C2)C3CC(=O)N(C3=O)C","LTFGIDQMPVPYGR-UHFFFAOYSA-N","365996",NA,"PDBC52580","634162","Present"
-"SC-36113","","","","","","","","","","","","","","","","","","","","SC-36113","","CN=C(N)N=NC1=C(NC2=CC=CC=C21)O","UGPIXTFZKJOHJT-UHFFFAOYSA-N","394281",NA,"PDBC52581","697647","Present"
-"SC-36316","","","","","","","","","","","","","","","","","","","","SC-36316","","C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=CS3)C4=CC5=C(C=C4)SC6=CC=CC=C6S5","IJXSQRGBFYPHRF-UHFFFAOYSA-N","403313",NA,"PDBC52582","718019","Present"
-"SC-38585","","","","","","","","","","","","","","","","","","","","SC-38585","","CCN1C2=C(C=N1)C(=O)N3C(=N2)N(C=N3)C4=CC=C(C=C4)Br","JXCXMCBUNMJMKW-UHFFFAOYSA-N","388889",NA,"PDBC52583","684114","Present"
-"SC-41842","","","","","","","","","","","","","","","","","","","","SC-41842","","CN(C)CCNC(=O)C1=C2C(=C(C=C1)NCCCN(C)CCCNC3=C4C(=C(C=C3)C(=O)NCCN(C)C)NC5=C(C4=O)C=C(C=C5)[N+](=O)[O-])C(=O)C6=C(N2)C=CC(=C6)[N+](=O)[O-]","LNERTESFKPZEMY-UHFFFAOYSA-N","11980935",NA,"PDBC52584","710555","Present"
-"SC-57558","","","","","","","","","","","","","","","","","","","","SC-57558","","CC1(COC(=N1)C2=CC=CC=C2C3=CC=CC=C3)C","MUFNIUXQTXCXFN-UHFFFAOYSA-N","395641",NA,"PDBC52585","700423","Present"
-"SC-60034","","","","","","","","","","","","","","","","","","","","SC-60034","","CC1(CN(C2N1C(=O)C23CCCO3)C(=O)OC(C)(C)C)C","UBFJSDIPJNHIMZ-UHFFFAOYSA-N","373036",NA,"PDBC52586","648869","Present"
-"SC-60645","","","","","","","","","","","","","","","","","","","","SC-60645","","CC1=NNC(=O)C1C2CC(=NNC2=O)C3=CNC4=CC=CC=C43","QVTRXVLXIVDHML-UHFFFAOYSA-N","392029",NA,"PDBC52587","691828","Present"
-"SC-60646","","","","","","","","","","","","","","","","","","","","SC-60646","","CC1=CC(=NC(=N1)C)NC2=CC=C(C=C2)N=NC3=C4C=CC=NC4=C(C=C3)O","UUNGCXMWHCKSED-UHFFFAOYSA-N","419381",NA,"PDBC52588","114382","Present"
-"SC-87612","","","","","","","","","","","","","","","","","","","","SC-87612","","CCN1C(=O)C2=C(N(C1=O)C3=CC=C(C=C3)C)SC(=N2)SC","RDYYVTMSUQIPFK-UHFFFAOYSA-N","383359",NA,"PDBC52589","671473","Present"
-"SC-89018","","","","","","","","","","","","","","","","","","","","SC-89018","","C1=CSC(=C1)C(=O)NC2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O","GRMVEFCMZGNFGF-UHFFFAOYSA-N","342620",NA,"PDBC52590","379867","Present"
-"SCH-1473759","","","","","","","","","","","","","","","","","","","","SCH-1473759","","CCN(CC1=NSC(=C1)NC2=NC(=CN3C2=NC=C3C4=CNN=C4)C)C(C)(C)CO","RHGZQGXELRMGES-UHFFFAOYSA-N","25144732",NA,"PDBC52591","761691","Present"
-"SDM25N HCl","","","","","","","","","","","","","","","","","","","SDM25N HCl","","","","","",NA,"PDBC52592","","Absent"
-"SEN-450","","","","","","","","","","","","","","","","","","","","SEN-450","","C1CCN(C1)C2CCN(CC2)C3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5N4","QFIPIZSYYZDIAP-UHFFFAOYSA-N","53484162",NA,"PDBC52593","763758","Present"
-"SEOUDLUVPQXRMF-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SEOUDLUVPQXRMF-UHFFFAOYSA-N","","CCCC(C)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","SEOUDLUVPQXRMF-UHFFFAOYSA-N","393094",NA,"PDBC52594","694478","Present"
-"SEWARINE","","","","","","","","","","","","","","","","","","","","SEWARINE","","CC=C1CN2CCC34C2CC1C(=C3NC5=C4C=C(C=C5)O)C(=O)OC","BVYFBTHLXBZJTR-JYOAFUTRSA-N","5458504",NA,"PDBC52595","263476","Present"
-"SFTI-1 This is a 14 amino acid long cyclic peptide, with 1 cystine bridge. It is a very rigid sructure.","","","","","","","","","","","","","","","","","","","","SFTI-1 This is a 14 amino acid long cyclic peptide, with...","","CC(C)CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)N4CCCC4C(=O)N1)CC(C)C)CO)CCCCN)C(C)O)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C5CCCN5C(=O)C(NC2=O)CC6=CC=CC=C6)CC(=O)O)CCCN=C(N)N","BUTOWGOYPXQYMM-KVNBYPBWSA-N","24205063",NA,"PDBC52596","734139","Present"
-"SFTI-15. This is a 14 amino acid long cyclic peptide, across the peptide backbone. Is expected to be protease stable.","","","","","","","","","","","","","","","","","","","","SFTI-15. This is a 14 amino acid long cyclic peptide, wi...","","CC(C)CC1C(=O)NC2CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)N4CCCC4C(=O)N1)CC(C)C)CO)CCCCN)C(C)O)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C5CCCN5C(=O)C(NC2=O)CC6=CC=CC=C6)CC(=O)O)CCCN=C(N)N","KVTUYASPAIBGKM-HZJVZXADSA-N","24205064",NA,"PDBC52597","734140","Present"
-"SGI-110","","","","","","","","","","","","","","","","","","","","SGI-110","","C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)([O-])OC4CC(OC4CO)N5C=NC(=NC5=O)N)O","GUWXKKAWLCENJA-WGWHJZDNSA-M","155810229",NA,"PDBC52598","808292","Present"
-"SGZNOQTWBIMLDO-BQYQJAHWSA-N","","","","","","","","","","","","","","","","","","","","SGZNOQTWBIMLDO-BQYQJAHWSA-N","","CN(C)C=CC1=NN=NN1C2=CC=C(C=C2)I","SGZNOQTWBIMLDO-BQYQJAHWSA-N","5367729",NA,"PDBC52599","673516","Present"
-"SHE 1H7","","","","","","","","","","","","","","","","","","","","SHE 1H7","","","","",NA,"PDBC52600","636224","Present"
-"SHP-099","","","","","","","","","","","","","","","","","","","","SHP-099","","CC1(CCN(CC1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)N","YGUFCDOEKKVKJK-UHFFFAOYSA-N","118238298",NA,"PDBC52601","804254","Present"
-"SH_03_04","","","","","","","","","","","","","","","","","","","","SH_03_04","","CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCOCC5","FISCIEKUXURIRB-UHFFFAOYSA-N","127053588",NA,"PDBC52602","801017","Present"
-"SH_03_07","","","","","","","","","","","","","","","","","","","","SH_03_07","","CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=CC(=C3)S(=O)(=O)C)N4CCOCC4","JWVBEFCCTKVFPM-UHFFFAOYSA-N","127053595",NA,"PDBC52603","801018","Present"
-"SHetA2","","","","","","","","","","","","","","","","","","","","Thiourea, N-(3,4-dihydro-2,2,4,4-tetramethyl-2H-1-benzot...","","CC1(CC(SC2=C1C=C(C=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])(C)C)C","FWWKIYPMUZVMQG-UHFFFAOYSA-N","9844020",NA,"PDBC52604","726189","Present"
-"SIBKSTKDADTZSR-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SIBKSTKDADTZSR-UHFFFAOYSA-N","","CCN1C2=CC=CC=C2S(=O)(=O)N3C1=NCC3","SIBKSTKDADTZSR-UHFFFAOYSA-N","341514",NA,"PDBC52605","373863","Present"
-"SIEZLKYPPOEGKM-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SIEZLKYPPOEGKM-UHFFFAOYSA-N","","CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=C)Br","SIEZLKYPPOEGKM-UHFFFAOYSA-N","342449",NA,"PDBC52606","379398","Present"
-"SJL 778","","","","","","","","","","","","","","","","","","","","SJL 778","","","","",NA,"PDBC52607","695782","Present"
-"SKF 14336 phosphate","","","","","","","","","","","","","","","","","","","","clomacran phosphate","","CN(C)CCCC1=C2C=C(C=CC2=NC3=CC=CC=C31)Cl.OP(=O)(O)O","BQWNYBYIBGENRY-UHFFFAOYSA-N","287682",NA,"PDBC52608","147744","Present"
-"SKF-86002-A2","","","","","","","","","","","","","","","","","","","","SKF-86002-A2","","C1CSC2=NC(=C(N21)C3=CC=NC=C3)C4=CC=C(C=C4)F","YOELZIQOLWZLQC-UHFFFAOYSA-N","5228",NA,"PDBC52609","756493","Present"
-"SKF-86055","","","","","","","","","","","","","","","","","","","","SKF-86055","","C1CSC2=NC(=C(N21)C3=CC=C(C=C3)F)C4=CC=NC=C4","GLHFDXWSDZWRNN-UHFFFAOYSA-N","453216",NA,"PDBC52610","756494","Present"
-"SMA-491 (free base of NSC D742838)","","","","","","","","","","","","","","","","","","","","SMA-491 (free base of NSC D742838)","","C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C(=O)N)N","XCAQHWQRKUEFKS-UHFFFAOYSA-N","302576",NA,"PDBC52611","188491","Present"
-"SMA-838 (HCl salt of NSC 188491)","","","","","","","","","","","","","","","","","","","","SMA-838 (HCl salt of NSC 188491)","","C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C(=O)N)N.Cl","OLMWEAMAABKBBC-UHFFFAOYSA-N","45028430",NA,"PDBC52612","742838","Present"
-"SMP2_000241","","","","","","","","","","","","","","","","","","","","SMP2_000241","","C1=CN(C(=O)N=C1)C2C(C(C(O2)CO)O)O","RPQZTTQVRYEKCR-UHFFFAOYSA-N","328839",NA,"PDBC52613","607869","Present"
-"SMSF0005277","","","","","","","","","","","","","","","","","","","","SMSF0005277","","CC(=O)N1C2=CC=CC=C2C(=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C1=O","WNLAKPQEYJMQAE-GDNBJRDFSA-N","2274420",NA,"PDBC52614","682577","Present"
-"SMSF0005735","","","","","","","","","","","","","","","","","","","","SMSF0005735","","CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2","SUVAYMBUCQBFFX-WJDWOHSUSA-N","682129",NA,"PDBC52615","633952","Present"
-"SMSF0009628","","","","","","","","","","","","","","","","","","","","SMSF0009628","","C1CC2=C(C1)C(=NC3=C2C4=CC=CC=C4C=C3)C5=CC6=C(C=C5)OCO6","DTAWFNRBRHLKBJ-UHFFFAOYSA-N","394733",NA,"PDBC52616","698401","Present"
-"SMSF0010819","","","","","","","","","","","","","","","","","","","","SMSF0010819","","C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)Br)C(=O)N2","QXNWYINLMDURPW-DHZHZOJOSA-N","5345856",NA,"PDBC52617","727904","Present"
-"SN 12736","","","","","","","","","","","","","","","","","","","","SN 12736","","CC1=CC=CC2=NC3=CC=CC=C3C(=C12)NC4=CC=C(C=C4)NS(=O)(=O)C.CS(=O)(=O)O","HITHWCOVZBTTNK-UHFFFAOYSA-N","291300",NA,"PDBC52618","156307","Present"
-"SN 24699","","","","","","","","","","","","","","","","","","","","SN 24699","","CC1=NC=C(N1CCNC(=O)CCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","KGGFDKXOKZXDQY-UHFFFAOYSA-N","160389",NA,"PDBC52619","639862","Present"
-"SNC-67","","","","","","","","","","","","","","","","","","","","SNC-67","","CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C","KQWVAUSXZDRQPZ-XXAUWVGASA-N","398116",NA,"PDBC52620","707482","Present"
-"SNDX-5613","","","","","","","","","","","","","","","","","","","","SNDX-5613","","CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC","FRVSRBKUQZKTOW-UHFFFAOYSA-N","132212657",NA,"PDBC52621","825775","Present"
-"SPECTRUM1505023","","","","","","","","","","","","","","","","","","","","SPECTRUM1505023","","CC1(C([N+](=O)N1[O-])(C)Br)C","CGJLFDXRWNCGDW-UHFFFAOYSA-N","382423",NA,"PDBC52622","669986","Present"
-"SQKRNLOXJMBZRP-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SQKRNLOXJMBZRP-UHFFFAOYSA-N","","CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=CO3)C","SQKRNLOXJMBZRP-UHFFFAOYSA-N","387803",NA,"PDBC52623","681875","Present"
-"SR 4308","","","","","","","","","","","","","","","","","","","","SR 4308","","C1=CC2=C(C=C1Cl)[N+](=C(N=[N+]2[O-])N)[O-]","FJUGBXQAYWGSSI-UHFFFAOYSA-N","135455586",NA,"PDBC52624","617851","Present"
-"SR-717","","","","","","","","","","","","","","","","","","","","SR-717","","C1=CC(=NN=C1C(=O)NC2=CC(=C(C=C2C(=O)[O-])F)F)N3C=CN=C3","WEBVQIJGIZVRGA-UHFFFAOYSA-M","155815744",NA,"PDBC52625","827802","Present"
-"SR16157","","","","","","","","","","","","","","","","","","","","SR16157","","CCN(CC)CCOCCC1CCC2C1(CCC3C2C(CC4=C3C=CC(=C4)OS(=O)(=O)N)C)C","ASNNHMZDKNSENI-FYUXVVBBSA-N","24202898",NA,"PDBC52626","732011","Present"
-"SR9011","","","","","","","","","","","","","","","","","SR9011","","","","","","","57394021",NA,"PDBC52627","","Absent"
-"SR9243","","","","","","","","","","","","","","","","","","","","SR 9243","","CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C)C","FYQFEJFTCLKXTQ-UHFFFAOYSA-N","76073169",NA,"PDBC52628","787081","Present"
-"SRFCVELFGQYQOG-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SRFCVELFGQYQOG-UHFFFAOYSA-N","","CC1CC(=NC2=CC=CC=C2S1)C3=CC=C(C=C3)Cl","SRFCVELFGQYQOG-UHFFFAOYSA-N","367362",NA,"PDBC52629","637001","Present"
-"SRI 1215","","","","","","","","","","","","","","","","","","","","SRI 1215","","CCSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O","SXDRPWJMWHDCLL-UHFFFAOYSA-N","236668",NA,"PDBC52630","39368","Present"
-"SRLFANXCTPIVJY-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SRLFANXCTPIVJY-UHFFFAOYSA-N","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CS(=O)(=O)CC3=NC4=C(N3)C(=O)N(C(=O)N4C)C","SRLFANXCTPIVJY-UHFFFAOYSA-N","267103",NA,"PDBC52631","106218","Present"
-"SSA8WX9HQB","","","","","","","","","","","","","","","","","","","","SSA8WX9HQB","","CC1=C(C(=NC(=N1)N)N)CCCC2=CC=CC=C2","ZOLRHOYGCWXBKL-UHFFFAOYSA-N","308637",NA,"PDBC52632","210486","Present"
-"SSGVXTHTVXDYFA-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SSGVXTHTVXDYFA-UHFFFAOYSA-N","","CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC=C(S2)Cl)C3=CC=C(S3)Cl","SSGVXTHTVXDYFA-UHFFFAOYSA-N","400098",NA,"PDBC52633","711590","Present"
-"SSJUUHDUABOISM-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SSJUUHDUABOISM-UHFFFAOYSA-N","","CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)NC(=O)C(C)(C)C","SSJUUHDUABOISM-UHFFFAOYSA-N","361505",NA,"PDBC52634","624577","Present"
-"ST-3595","","","","","","","","","","","","","","","","","","","","ST-3595","","COC1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)NO","WKQPXLKFQLGQSM-NYYWCZLTSA-N","15986509",NA,"PDBC52635","762153","Present"
-"STK000877","","","","","","","","","","","","","","","","","","","","STK000877","","C1=CC(=CC=C1C2=CC=C(O2)C=C(C(=O)O)C(=O)O)[N+](=O)[O-]","RRMUMFWOUFWXPU-UHFFFAOYSA-N","381101",NA,"PDBC52636","667264","Present"
-"STK001200","","","","","","","","","","","","","","","","","","","","STK001200","","C1=C(C=C(C(=C1C=NC2=CNC(=O)NC2=O)O)Cl)Cl","HMBQGXAQNZFODB-UHFFFAOYSA-N","404524",NA,"PDBC52637","720761","Present"
-"STK001367","","","","","","","","","","","","","","","","","","","","STK001367","","CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=S)NCC=C","SCWYJDAEMXVVCL-UHFFFAOYSA-N","4554414",NA,"PDBC52638","716569","Present"
-"STK001667","","","","","","","","","","","","","","","","","","","","STK001667","","C1=CC=C(C=C1)CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4","RXFULMRHBXEHMV-UHFFFAOYSA-N","376415",NA,"PDBC52639","657329","Present"
-"STK006177","","","","","","","","","","","","","","","","","","","","STK006177","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","SZPUZMYOZQNDCW-UHFFFAOYSA-N","376428",NA,"PDBC52640","657342","Present"
-"STK008094","","","","","","","","","","","","","","","","","","","","STK008094","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)NC(=O)N2","AVKZHMHSYRISOT-UKTHLTGXSA-N","5471167",NA,"PDBC52641","709116","Present"
-"STK008852","","","","","","","","","","","","","","","","","","","","STK008852","","C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=CC=CC=C54","PJCNOTRGTINARI-UHFFFAOYSA-N","396206",NA,"PDBC52642","701758","Present"
-"STK008961","","","","","","","","","","","","","","","","","","","","STK008961","","C1CCC2=C(C1)C(N3C(=NN=N3)N2)C4=CC=CC=C4","QAADUBHZGNZSOF-UHFFFAOYSA-N","404640",NA,"PDBC52643","721068","Present"
-"STK010335","","","","","","","","","","","","","","","","","","","","STK010335","","COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4OC3C5=CC=CC=C5)NC6=NC=NN26","GLOLAXUGTAMTBZ-UHFFFAOYSA-N","404642",NA,"PDBC52644","721070","Present"
-"STK011157","","","","","","","","","","","","","","","","","","","","STK011157","","COC1=CC=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3","VXDLQXNXXYIRJC-PTNGSMBKSA-N","712137",NA,"PDBC52645","142506","Present"
-"STK011267","","","","","","","","","","","","","","","","","","","","STK011267","","C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl","CMOHIYAYQCFWEZ-UHFFFAOYSA-N","386370",NA,"PDBC52646","678254","Present"
-"STK011714","","","","","","","","","","","","","","","","","","","","STK011714","","CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)Br","XULLPFXSHNPYND-UHFFFAOYSA-N","391241",NA,"PDBC52647","690138","Present"
-"STK012642","","","","","","","","","","","","","","","","","","","","STK012642","","CC1=NC(=CS1)C2=CC3=CC=CC=C3OC2=O","XVGKZNSQFDIWRA-UHFFFAOYSA-N","389233",NA,"PDBC52648","684986","Present"
-"STK013031","","","","","","","","","","","","","","","","","","","","STK013031","","CC1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C4=CC=CC=C4","DZMQBDBEHWNHRW-UHFFFAOYSA-N","2870150",NA,"PDBC52649","716578","Present"
-"STK017077","","","","","","","","","","","","","","","","","","","","STK017077","","C1=CC=C2C(=C1)C=C(N2)C(=O)NNC(=O)C3=CC4=CC=CC=C4N3","YEHAVWCDKXUSPK-UHFFFAOYSA-N","393337",NA,"PDBC52650","695045","Present"
-"STK018642","","","","","","","","","","","","","","","","","","","","STK018642","","CC1=NN2C(=N)C(=CC3=CC=CO3)C(=O)N=C2S1","MHYQOSCGHVQZFL-GPSNRAOPSA-N","5468829",NA,"PDBC52651","677208","Present"
-"STK020541","","","","","","","","","","","","","","","","","","","","STK020541","","C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O)Cl","TWKFMMBKYQZZLO-UHFFFAOYSA-N","366668",NA,"PDBC52652","635343","Present"
-"STK020593","","","","","","","","","","","","","","","","","","","","STK020593","","CCN(C1=CC=CC=C1)C(=O)C=CC2=CC=CO2","BJIVQJRYQASZPI-ZHACJKMWSA-N","681017",NA,"PDBC52653","71633","Present"
-"STK021220","","","","","","","","","","","","","","","","","","","","STK021220","","CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)C","FEDKXZRSVIBYDP-UHFFFAOYSA-N","55294",NA,"PDBC52654","623753","Present"
-"STK025512","","","","","","","","","","","","","","","","","","","","STK025512","","CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)O","ZNRFHFNEYSLUQB-UHFFFAOYSA-N","403069",NA,"PDBC52655","717540","Present"
-"STK026897","","","","","","","","","","","","","","","","","","","","STK026897","","C1=CC=C2C(=C1)C(=O)NOC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","QLLONGGBMHWANI-UHFFFAOYSA-N","3759203",NA,"PDBC52656","782897","Present"
-"STK028184","","","","","","","","","","","","","","","","","","","","STK028184","","C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=CC=C3)C#N","HBTUKUKQTDFRCZ-UHFFFAOYSA-N","848906",NA,"PDBC52657","679228","Present"
-"STK030609","","","","","","","","","","","","","","","","","","","","STK030609","","CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)Br","LZHLAWVBGVXZNK-UHFFFAOYSA-N","391235",NA,"PDBC52658","690132","Present"
-"STK032387","","","","","","","","","","","","","","","","","","","","STK032387","","C1=NNC(=N1)NC(=O)C=CC(=O)O","RJXGFRWICKNRQD-OWOJBTEDSA-N","5388444",NA,"PDBC52659","636338","Present"
-"STK032801","","","","","","","","","","","","","","","","","","","","STK032801","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN=CC3=CC=CC=C3O)O","GOCSMIDSQQKMKO-PXLXIMEGSA-N","135509615",NA,"PDBC52660","106723","Present"
-"STK037888","","","","","","","","","","","","","","","","","","","","STK037888","","CC(C(=O)C1=CC=CC=C1)C2(C3=C(C=CC(=C3)Cl)NC2=O)O","ORTHIZOGJSFWBH-UHFFFAOYSA-N","366718",NA,"PDBC52661","635434","Present"
-"STK040879","","","","","","","","","","","","","","","","","","","","STK040879","","CC1=C(C2=CC=CC=C2N1)C=NC3=CC=C(C=C3)OC4=CC=CC=C4","PYOJOSHAWAOHQD-UHFFFAOYSA-N","403079",NA,"PDBC52662","717551","Present"
-"STK048199","","","","","","","","","","","","","","","","","","","","STK048199","","CCOC(=O)C(=C(SC)SC)C1=NN2C(=O)C=C(N=C2S1)C","MMIVZTGDOSKVSY-UHFFFAOYSA-N","385807",NA,"PDBC52663","677201","Present"
-"STK048717","","","","","","","","","","","","","","","","","","","","STK048717","","CCOC(=O)C(C1=NN2C(=O)C=C(N=C2S1)C)C(=S)SC","MLAUELXPZHJRCT-UHFFFAOYSA-N","385806",NA,"PDBC52664","677200","Present"
-"STK053181","","","","","","","","","","","","","","","","","","","","STK053181","","CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NCC3=CC=CC=C3","IOFWFQVFLRTZSK-UHFFFAOYSA-N","1550529",NA,"PDBC52665","690143","Present"
-"STK053798","","","","","","","","","","","","","","","","","","","","STK053798","","COC1(C(=NNC(=S)N1)C2=CC=CC=C2)C3=CC=CC=C3","DLZOPWMAVKTXDW-UHFFFAOYSA-N","2905262",NA,"PDBC52666","711635","Present"
-"STK054077","","","","","","","","","","","","","","","","","","","","STK054077","","C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)C2=CN=CC=C2","FVLXAEXRZJMEIS-VOTSOKGWSA-N","5387156",NA,"PDBC52667","621364","Present"
-"STK054773","","","","","","","","","","","","","","","","","","","","STK054773","","C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CN5C6=CC=CC=C6SC5=N4","YGHDONGSZKOBGS-UHFFFAOYSA-N","397577",NA,"PDBC52668","705897","Present"
-"STK057163","","","","","","","","","","","","","","","","","","","","STK057163","","CC1=C2C(=CC(=N1)C3=CC4=C(C=CC(=C4)OC)OC3=O)C5=C(C=CC(=C5)OC)OC2=O","VRFGPDQRBCIBQU-UHFFFAOYSA-N","395981",NA,"PDBC52669","701105","Present"
-"STK058182","","","","","","","","","","","","","","","","","","","","STK058182","","C1C(=O)NN=CN2C3=CC=CC=C3N=C2S1","ANYAGMBJIYRZTF-WDZFZDKYSA-N","9571643",NA,"PDBC52670","694227","Present"
-"STK058552","","","","","","","","","","","","","","","","","","","","STK058552","","CC1=C2C(=CC(=N1)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)C6=C(C=CC7=CC=CC=C76)OC2=O","TZLHQDZDLMPKSD-UHFFFAOYSA-N","395982",NA,"PDBC52671","701106","Present"
-"STK061493","","","","","","","","","","","","","","","","","","","","STK061493","","C1=CC(=CC(=C1)Cl)NC(=O)NN2C=NN=C2","UOWPKVIDUNKFOK-UHFFFAOYSA-N","328377",NA,"PDBC52672","306752","Present"
-"STK065823","","","","","","","","","","","","","","","","","","","","STK065823","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=CC=CC=C4","NZVLYQLPOHBEOR-UHFFFAOYSA-N","1344786",NA,"PDBC52673","653931","Present"
-"STK065845","","","","","","","","","","","","","","","","","","","","STK065845","","C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC(=NN4)C5=CC=C(C=C5)[N+](=O)[O-]","IRLJKCRAKCEEFC-UHFFFAOYSA-N","399170",NA,"PDBC52674","709589","Present"
-"STK070014","","","","","","","","","","","","","","","","","","","","STK070014","","CN1C=NC(=C1SC2=NC3=CC=CC=C3N2)[N+](=O)[O-]","FSUBLVKGNQIAEM-UHFFFAOYSA-N","364601",NA,"PDBC52675","631129","Present"
-"STK074931","","","","","","","","","","","","","","","","","","","","STK074931","","C1=CC(=C(C=C1Cl)Cl)NC(=O)CC2C(=O)N=C(S2)N","CFAGUFSZRAZDMF-UHFFFAOYSA-N","365143",NA,"PDBC52676","632244","Present"
-"STK075040","","","","","","","","","","","","","","","","","","","","STK075040","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(C=CC4=N3)Cl","USHQNQQPZIXCBP-UHFFFAOYSA-N","395977",NA,"PDBC52677","701101","Present"
-"STK079996","","","","","","","","","","","","","","","","","","","","STK079996","","C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)Cl","KONACICBGKAJAG-UHFFFAOYSA-N","376420",NA,"PDBC52678","657334","Present"
-"STK091286","","","","","","","","","","","","","","","","","","","","STK091286","","CC1(CC2=C(CC3=C(N2)CC(CC3=O)(C)C)C(=O)C1)C","GPYNTJXDUGTLTO-UHFFFAOYSA-N","379938",NA,"PDBC52679","665130","Present"
-"STK092783","","","","","","","","","","","","","","","","","","","","STK092783","","CC1=CC(=C(C=C1)C)COCCOCN2C=C(C(=NC2=O)N)Br","LWFBFMVRSUDBMP-UHFFFAOYSA-N","395258",NA,"PDBC52680","699736","Present"
-"STK092790","","","","","","","","","","","","","","","","","","","","STK092790","","CC(=O)NC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=C2C4=CC=CC=C4)SC5=C(C(=NC6=CC=C(C=C6)NC(=O)C)C7=CC=CC=C75)C8=CC=CC=C8","SIKFBAYEWSLAII-UHFFFAOYSA-N","396836",NA,"PDBC52681","703850","Present"
-"STK093861","","","","","","","","","","","","","","","","","","","","STK093861","","CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCCC4","VYUQRLYKYWEPHX-UHFFFAOYSA-N","403013",NA,"PDBC52682","717486","Present"
-"STK094546","","","","","","","","","","","","","","","","","","","","STK094546","","CC(C(=O)C1=CC=CC=C1)C2(C3=CC=CC=C3NC2=O)O","MLPNSESWKUBXIN-UHFFFAOYSA-N","360295",NA,"PDBC52683","622330","Present"
-"STK095497","","","","","","","","","","","","","","","","","","","","STK095497","","CC1(OC(=O)C(C(=O)O1)(CC2=CC=CC=C2)CC3=CC=CC=C3)C","KAWSTBSZVJLBEZ-UHFFFAOYSA-N","380818",NA,"PDBC52684","666540","Present"
-"STK105062","","","","","","","","","","","","","","","","","","","","STK105062","","C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3","RENJXQGRPSWSBE-UHFFFAOYSA-N","375280",NA,"PDBC52685","654797","Present"
-"STK108011","","","","","","","","","","","","","","","","","","","","STK108011","","CC1=CC=C(C=C1)NC2=C3CCCCC3=C(C4=NC5=CC=CC=C5N24)C#N","JHERFNLEIUWPFX-UHFFFAOYSA-N","387849",NA,"PDBC52686","682009","Present"
-"STK108506","","","","","","","","","","","","","","","","","","","","STK108506","","C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=C(C=C5)Cl","KVGHMXCQKBILTM-UHFFFAOYSA-N","387850",NA,"PDBC52687","682010","Present"
-"STK110077","","","","","","","","","","","","","","","","","","","","STK110077","","C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCOCC5","UWKMGBPWOMPPFO-UHFFFAOYSA-N","387848",NA,"PDBC52688","682008","Present"
-"STK111665","","","","","","","","","","","","","","","","","","","","STK111665","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]","AMDYZAWEPNTVMI-UHFFFAOYSA-N","3800162",NA,"PDBC52689","657576","Present"
-"STK116968","","","","","","","","","","","","","","","","","","","","STK116968","","COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","PGSGOGCSHXMIQA-UHFFFAOYSA-N","375286",NA,"PDBC52690","654803","Present"
-"STK118312","","","","","","","","","","","","","","","","","","","","STK118312","","C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3Cl","DPSUVSNFAADCDA-UHFFFAOYSA-N","375289",NA,"PDBC52691","654806","Present"
-"STK124804","","","","","","","","","","","","","","","","","","","","STK124804","","COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=S)N","FVLMPRHVNJXADJ-UHFFFAOYSA-N","2925408",NA,"PDBC52692","716414","Present"
-"STK126388","","","","","","","","","","","","","","","","","","","","STK126388","","C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=O)C(=O)NC4=O","JVMNCBOYLZFJBX-UHFFFAOYSA-N","380797",NA,"PDBC52693","666516","Present"
-"STK133291","","","","","","","","","","","","","","","","","","","","STK133291","","CCCCC(=O)NN=CC1=C(C(=CC(=C1)I)I)O","BHHWHQSFFPPWOU-VIZOYTHASA-N","135509650",NA,"PDBC52694","110633","Present"
-"STK137011","","","","","","","","","","","","","","","","","","","","STK137011","","C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Cl","IYIITGYYTBUPTI-UHFFFAOYSA-N","366856",NA,"PDBC52695","635835","Present"
-"STK149128","","","","","","","","","","","","","","","","","","","","STK149128","","CC1=CC(=C(C(=C1)C)NC(=O)C=CC2=CC=CC=C2)C","QQGNTDGNJKWWPV-MDZDMXLPSA-N","966731",NA,"PDBC52696","191384","Present"
-"STK150877","","","","","","","","","","","","","","","","","","","","STK150877","","CC1=CC2=CC=CC=C2N1CC(=O)N3CCCC3","QIXUHQMNXSNWHO-UHFFFAOYSA-N","381971",NA,"PDBC52697","669281","Present"
-"STK153593","","","","","","","","","","","","","","","","","","","","STK153593","","CC1C2=C(CC(CC2=O)(C)C)NC3=C1C(=O)CC(C3)(C)C","BZTGVBSTOUKXCI-UHFFFAOYSA-N","379950",NA,"PDBC52698","665142","Present"
-"STK170335","","","","","","","","","","","","","","","","","","","","STK170335","","CN1C(=O)C(=CC2=CC=C(C=C2)Br)C(=O)N(C1=O)C","WRQMCSDHNXASKP-UHFFFAOYSA-N","395437",NA,"PDBC52699","699982","Present"
-"STK174912","","","","","","","","","","","","","","","","","","","","STK174912","","C1=CC=C(C(=C1)C=NNC2=NC3=CC=CC=C3S2)O","MKWMJLJVBCWMHC-OQLLNIDSSA-N","135460716",NA,"PDBC52700","34780","Present"
-"STK200394","","","","","","","","","","","","","","","","","","","","STK200394","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)N=NC3=C(NC4=CC=CC=C43)O)O","MMOPJLMGKBXYPB-UHFFFAOYSA-N","389687",NA,"PDBC52701","686142","Present"
-"STK205994","","","","","","","","","","","","","","","","","","","","STK205994","","C1=CC=C2C(=C1)N=C3C(=N2)SC4=NC5=CC=CC=C5N34","NRAPIYWXSRMKRF-UHFFFAOYSA-N","380629",NA,"PDBC52702","666304","Present"
-"STK207353","","","","","","","","","","","","","","","","","","","","STK207353","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=C(C=C3)OC","RICCWHOMSSUHEU-UHFFFAOYSA-N","378529",NA,"PDBC52703","661164","Present"
-"STK209839","","","","","","","","","","","","","","","","","","","","STK209839","","CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)Cl)Cl","NAJZUPOKXMXWBW-UHFFFAOYSA-N","295211",NA,"PDBC52704","164371","Present"
-"STK215818","","","","","","","","","","","","","","","","","","","","STK215818","","C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=NC=C3)O","PWCSGWWCYIKEJI-UHFFFAOYSA-N","360293",NA,"PDBC52705","622328","Present"
-"STK216075","","","","","","","","","","","","","","","","","","","","STK216075","","C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=C(C=C3)F)O","IBOVMHGMLUUMEA-UHFFFAOYSA-N","359734",NA,"PDBC52706","621180","Present"
-"STK219798","","","","","","","","","","","","","","","","","","","","STK219798","","CC1=NN(C(=O)C1=CC=CC2=CC=CC=C2)C3=CC(=CC=C3)Cl","PQPLMTQVKJOXNZ-BIMFAPAISA-N","6485117",NA,"PDBC52707","751275","Present"
-"STK231324","","","","","","","","","","","","","","","","","","","","STK231324","","CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CSC3=NC(=CC(=N3)C)C","HYVBVRPNMUPXBK-UHFFFAOYSA-N","403085",NA,"PDBC52708","717557","Present"
-"STK235793","","","","","","","","","","","","","","","","","","","","STK235793","","CC1=CC=C(C=C1)C2=NN=C3N2C(=O)C(=CC4=CC=C(C=C4)N(C)C)S3","NWNWWBNTPGHWND-ATVHPVEESA-N","1550163",NA,"PDBC52709","637622","Present"
-"STK236120","","","","","","","","","","","","","","","","","","","","STK236120","","C1=CC(=CC=C1C(=O)NN=CC2=CC=NC=C2)F","CQBOIYPHKXALMH-CXUHLZMHSA-N","5333611",NA,"PDBC52710","741411","Present"
-"STK242450","","","","","","","","","","","","","","","","","","","","STK242450","","CC1=NC2=CC=CC=C2N1CC3=NN=C4N3N=C(CS4)C5=CC=CC=C5","PBLNXCJTJUWZFT-UHFFFAOYSA-N","397868",NA,"PDBC52711","706492","Present"
-"STK246890","","","","","","","","","","","","","","","","","","","","STK246890","","C1=CC=C2C(=C1)C(=O)C3(C2(N=C(N3)N)O)O","ORNGAPCYHMNNOC-UHFFFAOYSA-N","368007",NA,"PDBC52712","638236","Present"
-"STK257558","","","","","","","","","","","","","","","","","","","","STK257558","","COC1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)Br)NC2=O","WGAFLWYXQOACCE-UHFFFAOYSA-N","135400370",NA,"PDBC52713","201446","Present"
-"STK258698","","","","","","","","","","","","","","","","","","","","STK258698","","C1=CC=C(C=C1)C(=O)C(C(C2=CC(=CC=C2)[N+](=O)[O-])Br)Br","LOYYEMPWEAHZAH-UHFFFAOYSA-N","248781",NA,"PDBC52714","66230","Present"
-"STK264905","","","","","","","","","","","","","","","","","","","","STK264905","","C1=CC=C(C=C1)C2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O","BCGBRIYJZICEFD-UHFFFAOYSA-N","376575",NA,"PDBC52715","657587","Present"
-"STK272073","","","","","","","","","","","","","","","","","","","","STK272073","","COC1=C(C=C2C(=C1)C=CN=C2C3=NNC4=CC(=C(C=C43)OC)OC)OC","LJSFVXBGXNZFDQ-UHFFFAOYSA-N","363871",NA,"PDBC52716","629161","Present"
-"STK273468","","","","","","","","","","","","","","","","","","","","STK273468","","C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=C(C=C(C=C3)Cl)Cl)O","DZJOZSFSFDCJIG-UHFFFAOYSA-N","359742",NA,"PDBC52717","621188","Present"
-"STK273469","","","","","","","","","","","","","","","","","","","","STK273469","","C1=CC(=C(C=C1Cl)Cl)C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O","RHDRCSYJNPGLJU-UHFFFAOYSA-N","366633",NA,"PDBC52718","635308","Present"
-"STK277229","","","","","","","","","","","","","","","","","","","","STK277229","","COC1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3)C(=O)O2","IOFAUGQLKIMIQB-PTNGSMBKSA-N","1551706",NA,"PDBC52719","149049","Present"
-"STK298401","","","","","","","","","","","","","","","","","","","","STK298401","","CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1N","WZDHXHNXGOBFRM-UHFFFAOYSA-N","395164",NA,"PDBC52720","699464","Present"
-"STK299137","","","","","","","","","","","","","","","","","","","","STK299137","","CCOCCC1=C(N=C(NC1=O)SC)O","XZJPBUNHECRIEW-UHFFFAOYSA-N","248998",NA,"PDBC52721","66837","Present"
-"STK299158","","","","","","","","","","","","","","","","","","","","STK299158","","C1CN2C(=O)C3=C(N=C2SC1)OC4=CC=CC=C4C3=O","BLSDBWLPHJIFMF-UHFFFAOYSA-N","396090",NA,"PDBC52722","701614","Present"
-"STK325057","","","","","","","","","","","","","","","","","","","","STK325057","","C1=CC=C2C(=C1)C(=CC3=C(NC(=S)NC3=O)O)C=N2","IMNZTFWQMZGNCI-FNORWQNLSA-N","135443018",NA,"PDBC52723","90736","Present"
-"STK325130","","","","","","","","","","","","","","","","","","","","STK325130","","CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)N(C1=O)C","VLNKFANNJDIHFV-UHFFFAOYSA-N","3114175",NA,"PDBC52724","748742","Present"
-"STK326087","","","","","","","","","","","","","","","","","","","","STK326087","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","AIOZPDMZGCGPNG-UHFFFAOYSA-N","403862",NA,"PDBC52725","719395","Present"
-"STK328353","","","","","","","","","","","","","","","","","","","","STK328353","","COC1=CC(=CC(=C1OC)OC)C=C2C3=CC=CC=C3NC2=O","FHTCRVQNMFJGLM-JYRVWZFOSA-N","964103",NA,"PDBC52726","736805","Present"
-"STK329520","","","","","","","","","","","","","","","","","","","","STK329520","","COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=C(C(=CC(=C4)Br)Br)O)O","VCAYMHVHJNBQOD-BHGWPJFGSA-N","135436280",NA,"PDBC52727","717452","Present"
-"STK335651","","","","","","","","","","","","","","","","","","","","STK335651","","C1=CC=C(C=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)N)C#N","VIWIFCMSQWJCHM-UHFFFAOYSA-N","404645",NA,"PDBC52728","721073","Present"
-"STK335726","","","","","","","","","","","","","","","","","","","","STK335726","","C1=CC(=CC=C1C2=C(C(=NC3=NNC(=C23)N)N)C#N)Cl","RQOIAOXTYPDSPP-UHFFFAOYSA-N","395922",NA,"PDBC52729","701017","Present"
-"STK335863","","","","","","","","","","","","","","","","","","","","STK335863","","CCOC(=O)C(=C1SC(=C(C(=O)OCC)C(=O)OCC)S1)C(=O)OCC","CQZLSMCISVQUMY-UHFFFAOYSA-N","361629",NA,"PDBC52730","624845","Present"
-"STK356042","","","","","","","","","","","","","","","","","","","","STK356042","","C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC=CO4)S3","OSDWYTGSQXYMNN-WQLSENKSSA-N","1555814",NA,"PDBC52731","634477","Present"
-"STK365136","","","","","","","","","","","","","","","","","","","","STK365136","","C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=NN4C=NN=C4","OSYZHUXDDUDBGX-LSFURLLWSA-N","6858424",NA,"PDBC52732","717530","Present"
-"STK367517","","","","","","","","","","","","","","","","","","","","STK367517","","C(C(=O)O)SC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","SFULCKVVPKDWKO-UHFFFAOYSA-N","383669",NA,"PDBC52733","672087","Present"
-"STK367521","","","","","","","","","","","","","","","","","","","","STK367521","","CCOC(=O)NC(C(=O)OC)(C(F)(F)F)OCC1=CC=CC=C1","CGHHVVAQIJATPE-UHFFFAOYSA-N","383678",NA,"PDBC52734","672096","Present"
-"STK367524","","","","","","","","","","","","","","","","","","","","STK367524","","C1C(SC(=N1)NC2=C(C=C(C=C2)F)F)CI","ZHLNUNGPKXMIBM-UHFFFAOYSA-N","389123",NA,"PDBC52735","684808","Present"
-"STK367527","","","","","","","","","","","","","","","","","","","","STK367527","","CC1CN=C(S1)N(C2=CC(=C(C=C2)C)C)C(=O)NC","IYANBFOTFIODLQ-UHFFFAOYSA-N","383608",NA,"PDBC52736","672026","Present"
-"STK367537","","","","","","","","","","","","","","","","","","","","STK367537","","CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=C(C=C1)F)O","OWTCYKSRRFBIHO-UHFFFAOYSA-N","389142",NA,"PDBC52737","684827","Present"
-"STK367542","","","","","","","","","","","","","","","","","","","","STK367542","","CC1CN=C(S1)N(C2=CC=C(C=C2)C)C(=O)NC3=CC(=C(C=C3)F)Cl","QJJHJDUEZMDHKJ-UHFFFAOYSA-N","383620",NA,"PDBC52738","672038","Present"
-"STK367546","","","","","","","","","","","","","","","","","","","","STK367546","","CC1CN=C(S1)N(C2=CC(=C(C=C2)C)C)C(=O)NC3=CC=CC=C3","BNNGLQLUWQZTBZ-UHFFFAOYSA-N","383611",NA,"PDBC52739","672029","Present"
-"STK368445","","","","","","","","","","","","","","","","","","","","STK368445","","CC1=CC2=C(C=C1)NC3=C2CCCC3=NN=C(N)N","YGQPIDJURRBKNN-PDGQHHTCSA-N","135485004",NA,"PDBC52740","686477","Present"
-"STK368615","","","","","","","","","","","","","","","","","","","","STK368615","","C1=CC=C2C(=C1)NC3=NC4=NON=C4N=C3N2","HISAAWPSSDPBMI-UHFFFAOYSA-N","394429",NA,"PDBC52741","697881","Present"
-"STK369750","","","","","","","","","","","","","","","","","","","","STK369750","","C1CCC2=C(C1)C3=C(C=CC4=CC=CC=C43)N=C2C5=CC6=C(C=C5)OCO6","AMKFUJCVEPYZFT-UHFFFAOYSA-N","394732",NA,"PDBC52742","698400","Present"
-"STK370935","","","","","","","","","","","","","","","","","","","","STK370935","","CCN(CC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N(CC)CC","RAXKPWAKMDDUBY-UHFFFAOYSA-N","379891",NA,"PDBC52743","665083","Present"
-"STK372664","","","","","","","","","","","","","","","","","","","","STK372664","","CC1CN=C(S1)N(C)C(=O)NC2=CC=C(C=C2)Cl","DHBIZNKAPKMZPO-UHFFFAOYSA-N","383609",NA,"PDBC52744","672027","Present"
-"STK372666","","","","","","","","","","","","","","","","","","","","STK372666","","CC1CN=C(S1)N(C2=CC=CC(=C2)C)C(=O)NC3=CC(=C(C=C3)Cl)Cl","ZQTGDEHCVGFQCB-UHFFFAOYSA-N","383614",NA,"PDBC52745","672032","Present"
-"STK372674","","","","","","","","","","","","","","","","","","","","STK372674","","COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4O3","SWJHDCRRCWPBSX-UHFFFAOYSA-N","397078",NA,"PDBC52746","704391","Present"
-"STK374626","","","","","","","","","","","","","","","","","","","","STK374626","","C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NN=CC3=CN(C4=CC=CC=C43)CC5=C(C=C(C=C5)Cl)Cl","FEYDANQFIZKGJT-XODNFHPESA-N","5722766",NA,"PDBC52747","717476","Present"
-"STK377695","","","","","","","","","","","","","","","","","","","","STK377695","","CCCC1=NC(N=C(O1)N2CCOCC2)(C(F)(F)F)C(F)(F)F","WBBXWIQFWWPFED-UHFFFAOYSA-N","382511",NA,"PDBC52748","670118","Present"
-"STK377701","","","","","","","","","","","","","","","","","","","","STK377701","","CC1CN=C(S1)NC2=CC(=CC=C2)F","HACQCQBZFCWXOT-UHFFFAOYSA-N","389119",NA,"PDBC52749","684804","Present"
-"STK377704","","","","","","","","","","","","","","","","","","","","STK377704","","CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C","MNOGMFLPLKYZKH-UHFFFAOYSA-N","389113",NA,"PDBC52750","684798","Present"
-"STK377711","","","","","","","","","","","","","","","","","","","","STK377711","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C)NC(=O)C3=CC(=CC=C3)Cl","IPJFEUBKUYTZIL-UHFFFAOYSA-N","389137",NA,"PDBC52751","684822","Present"
-"STK377794","","","","","","","","","","","","","","","","","","","","STK377794","","C1C2(COP(=O)(O1)OC2)COC(=O)C(C(F)(F)F)C(F)(F)F","MLZYGZYTMKMZRR-UHFFFAOYSA-N","382512",NA,"PDBC52752","670119","Present"
-"STK377796","","","","","","","","","","","","","","","","","","","","STK377796","","CCC(C)NC1=NCC(S1)C","FPORBLGIQSSPPA-UHFFFAOYSA-N","383600",NA,"PDBC52753","672018","Present"
-"STK377797","","","","","","","","","","","","","","","","","","","","STK377797","","CC1CN=C(S1)NCC(C)C","QXBNUVGTSLREGK-UHFFFAOYSA-N","383601",NA,"PDBC52754","672019","Present"
-"STK377798","","","","","","","","","","","","","","","","","","","","STK377798","","CC1=CC=CC=C1NC(=O)NC(C(F)(F)F)(C(F)(F)F)OC2=CC=CC=C2","VDJFQOLDDITTFE-UHFFFAOYSA-N","383653",NA,"PDBC52755","672071","Present"
-"STK377814","","","","","","","","","","","","","","","","","","","","STK377814","","CCOC(=O)C(C(F)(F)F)(NC(=O)CC(C)C)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F","GWPKZONJLJLQMW-UHFFFAOYSA-N","384770",NA,"PDBC52756","675206","Present"
-"STK385341","","","","","","","","","","","","","","","","","","","","STK385341","","CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CS3","AVLHWHZPFYAHTA-UHFFFAOYSA-N","391239",NA,"PDBC52757","690136","Present"
-"STK386789","","","","","","","","","","","","","","","","","","","","STK386789","","CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)OC","OYIOCGPIKHIYRT-UHFFFAOYSA-N","386761",NA,"PDBC52758","679440","Present"
-"STK386833","","","","","","","","","","","","","","","","","","","","STK386833","","C1CN(C2=CC=CC=C21)CCN3CCC4=CC=CC=C43","GOVGXMFTKMWFCG-UHFFFAOYSA-N","379086",NA,"PDBC52759","663299","Present"
-"STK386853","","","","","","","","","","","","","","","","","","","","STK386853","","CC(=CC1=CNC2=CC=CC=C21)[N+](=O)[O-]","BPAQTDYDNBMYAM-SOFGYWHQSA-N","5291187",NA,"PDBC52760","65628","Present"
-"STK387357","","","","","","","","","","","","","","","","","","","","STK387357","","CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C(=O)OCC)C)C","TXVRICWGWBIUAG-UHFFFAOYSA-N","285815",NA,"PDBC52761","143346","Present"
-"STK387404","","","","","","","","","","","","","","","","","","","","STK387404","","CC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O","LKJDTMREVNFJHY-UHFFFAOYSA-N","285809",NA,"PDBC52762","143340","Present"
-"STK392529","","","","","","","","","","","","","","","","","","","","STK392529","","CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)N(C)C","QUSPUJJUTGSQHE-UHFFFAOYSA-N","386763",NA,"PDBC52763","679442","Present"
-"STK392541","","","","","","","","","","","","","","","","","","","","STK392541","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=CO3)C4=C(C5=CC=CC=C5OC4=O)O)O","DPCBACPQYAAEEZ-UHFFFAOYSA-N","54706321",NA,"PDBC52764","686386","Present"
-"STK396880","","","","","","","","","","","","","","","","","","","","STK396880","","C1CCCN(CC1)C(=S)N=NC2=C(NC3=CC=CC=C32)O","ZYZGXPLWTZLVDT-UHFFFAOYSA-N","381668",NA,"PDBC52765","668496","Present"
-"STK400670","","","","","","","","","","","","","","","","","","","","STK400670","","C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)O)[N+](=O)[O-]","MGWVYQDKZKNRAZ-UHFFFAOYSA-N","272142",NA,"PDBC52766","116383","Present"
-"STK400716","","","","","","","","","","","","","","","","","","","","STK400716","","C1COC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCOC3=C(C=C(C=C3)[N+](=O)[O-])OCCO1","JLRXOTNWTNNRCW-UHFFFAOYSA-N","360968",NA,"PDBC52767","623699","Present"
-"STK408185","","","","","","","","","","","","","","","","","","","","STK408185","","C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4OC3=N","AQSJUHLOMABNTG-UHFFFAOYSA-N","395954",NA,"PDBC52768","701078","Present"
-"STK408187","","","","","","","","","","","","","","","","","","","","STK408187","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC4=CC=CC=C43","NREQVYQPTUXJOL-UHFFFAOYSA-N","389246",NA,"PDBC52769","684999","Present"
-"STK408763","","","","","","","","","","","","","","","","","","","","STK408763","","CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=CC=C3","CBQRZBXNKYYYEB-UHFFFAOYSA-N","391240",NA,"PDBC52770","690137","Present"
-"STK411660","","","","","","","","","","","","","","","","","","","","STK411660","","C1=CC=C2C(=C1)C=CC=C2C(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])O","IXNWRKHHULCWKO-YBFXNURJSA-N","135403159",NA,"PDBC52771","115983","Present"
-"STK413001","","","","","","","","","","","","","","","","","","","","STK413001","","CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3","BEZPESQLRYMCPE-UHFFFAOYSA-N","391237",NA,"PDBC52772","690134","Present"
-"STK414216","","","","","","","","","","","","","","","","","","","","STK414216","","CC1=C(C=CC=C1Cl)NC(=O)C=CC2=CC=CC=C2","JHOSABSCZPNQBT-ZHACJKMWSA-N","764659",NA,"PDBC52773","191392","Present"
-"STK416902","","","","","","","","","","","","","","","","","","","","STK416902","","C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCC3=CC=CO3","CXAHONMBMUYUDI-GQCTYLIASA-N","840355",NA,"PDBC52774","686957","Present"
-"STK420861","","","","","","","","","","","","","","","","","","","","STK420861","","CC1=CC(=NC(=C1)NC(=O)COC2=CC=C(C=C2)Cl)C","BBBMUJSXZRQDHK-UHFFFAOYSA-N","295299",NA,"PDBC52775","164460","Present"
-"STK422175","","","","","","","","","","","","","","","","","","","","STK422175","","CC(=NNC(=O)C1=CC=NC=C1)C2=CC(=C(C=C2)OC)OC","YDIKRYJQWSSWLV-WOJGMQOQSA-N","9555933",NA,"PDBC52776","655520","Present"
-"STK423577","","","","","","","","","","","","","","","","","","","","STK423577","","C1=CC=C(C=C1)NC(=S)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O","JKPODAQUJVLRFT-UHFFFAOYSA-N","3715893",NA,"PDBC52777","716766","Present"
-"STK425674","","","","","","","","","","","","","","","","","","","","STK425674","","C1=CC(=CC=C1NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]","ATZKFRWZNFFNOO-UHFFFAOYSA-N","3643282",NA,"PDBC52778","190517","Present"
-"STK440289","","","","","","","","","","","","","","","","","","","","STK440289","","C1CN(CCN1C(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)C3=C(C=CC(=C3)Cl)Cl","ACZMODPPJFSBRK-UHFFFAOYSA-N","386375",NA,"PDBC52779","678259","Present"
-"STK441344","","","","","","","","","","","","","","","","","","","","STK441344","","COC1=CC(=C(C=C1)OC)C=C2C(=O)NC(=S)S2","WEDXIWUKUHJGIR-POHAHGRESA-N","1282682",NA,"PDBC52780","724354","Present"
-"STK441702","","","","","","","","","","","","","","","","","","","","STK441702","","C1=CC(=CN=C1)CNC(=O)C2C3C=CC(C2C(=O)O)O3","JERWRHFLMJMVBC-UHFFFAOYSA-N","270379",NA,"PDBC52781","112782","Present"
-"STK442663","","","","","","","","","","","","","","","","","","","","STK442663","","CC1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3","ZUTLXYKCFKCEMK-UHFFFAOYSA-N","369531",NA,"PDBC52782","641388","Present"
-"STK453024","","","","","","","","","","","","","","","","","","","","STK453024","","C1=CC=NC(=C1)CNC(=O)C2C3C=CC(C2C(=O)O)O3","OPKJEKZXOQTIPV-UHFFFAOYSA-N","240654",NA,"PDBC52783","47082","Present"
-"STK455789","","","","","","","","","","","","","","","","","","","","STK455789","","CC1=CC(=NC(=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C","RHGWAXACXTZKEN-UHFFFAOYSA-N","2955810",NA,"PDBC52784","695328","Present"
-"STK457912","","","","","","","","","","","","","","","","","","","","STK457912","","CC1=CC(=NO1)NC(=O)C2C3C=CC(C2C(=O)O)O3","JOKSNBLJCNUNLB-UHFFFAOYSA-N","369532",NA,"PDBC52785","641389","Present"
-"STK464917","","","","","","","","","","","","","","","","","","","","STK464917","","CC1=CC(=NC=C1)NC(=S)NC2=CC(=CC=C2)Cl","KWWXZCPLQRGDRF-UHFFFAOYSA-N","3005371",NA,"PDBC52786","695059","Present"
-"STK467437","","","","","","","","","","","","","","","","","","","","STK467437","","C(C(CNC(=O)C(F)(F)F)O)NC(=O)C(F)(F)F","XGJMDMQAOYCRLK-UHFFFAOYSA-N","361854",NA,"PDBC52787","625175","Present"
-"STK470567","","","","","","","","","","","","","","","","","","","","STK470567","","CCOC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC","GDNOYAIKJVPMGJ-UHFFFAOYSA-N","7938304",NA,"PDBC52788","743407","Present"
-"STK470612","","","","","","","","","","","","","","","","","","","","STK470612","","CC(C)OC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC(C)C","TUWVWHZIXRXENK-UHFFFAOYSA-N","17377306",NA,"PDBC52789","743409","Present"
-"STK492807","","","","","","","","","","","","","","","","","","","","STK492807","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=C(C=C3)C","HEHBODNCKADTQL-UHFFFAOYSA-N","395963",NA,"PDBC52790","701087","Present"
-"STK492811","","","","","","","","","","","","","","","","","","","","STK492811","","CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NCC3=CC=CC=C3","MNFDHIMZDCZTPV-UHFFFAOYSA-N","389252",NA,"PDBC52791","685005","Present"
-"STK506746","","","","","","","","","","","","","","","","","","","","STK506746","","C1=CC(=CC=C1C2=NC(=S)NN2)O","GHQAENHMNKYJGV-UHFFFAOYSA-N","689100",NA,"PDBC52792","625816","Present"
-"STK520043","","","","","","","","","","","","","","","","","","","","STK520043","","CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C","BFAFHUBUWQAGOY-UHFFFAOYSA-N","394824",NA,"PDBC52793","698674","Present"
-"STK520746","","","","","","","","","","","","","","","","","","","","STK520746","","COC1=CC=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O","PRGOJLMLGXKQJN-UHFFFAOYSA-N","885874",NA,"PDBC52794","713070","Present"
-"STK522977","","","","","","","","","","","","","","","","","","","","STK522977","","C1C(=O)N(C(=S)S1)CC2=CN=CC=C2","HVOPSRSIFJPCRF-UHFFFAOYSA-N","317081",NA,"PDBC52795","246399","Present"
-"STK524933","","","","","","","","","","","","","","","","","","","","STK524933","","CC1(CC2=C(C(C(=C(N2)SCC(=O)O)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C","HTRIYXWEWDJQMO-UHFFFAOYSA-N","397586",NA,"PDBC52796","705927","Present"
-"STK525439","","","","","","","","","","","","","","","","","","","","STK525439","","C1=CC=C(C=C1)C2=CSC(=N2)C3=C(OC4=C(C3C5=CC=CO5)C(=O)OC6=CC=CC=C64)N","AYMVFKCJJBANOF-UHFFFAOYSA-N","380521",NA,"PDBC52797","666135","Present"
-"STK525493","","","","","","","","","","","","","","","","","","","","STK525493","","CC1=CC=C(C=C1)C(=CC(=O)C(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=C3)O","UDVZPZGWJUSKQE-PGMHBOJBSA-N","1550513",NA,"PDBC52798","686138","Present"
-"STK526298","","","","","","","","","","","","","","","","","","","","STK526298","","C1=CC=C(C=C1)C(=NNC(=O)C(=O)C=C(C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3","YVHAVORDFUTNNI-HKWRFOASSA-N","5466242",NA,"PDBC52799","682572","Present"
-"STK526600","","","","","","","","","","","","","","","","","","","","STK526600","","C1=CC(=CC=C1C(=O)O)NC(=O)CC(=O)NC2=CC=C(C=C2)C(=O)O","NPCIOPZZQQSOPU-UHFFFAOYSA-N","385920",NA,"PDBC52800","677383","Present"
-"STK526942","","","","","","","","","","","","","","","","","","","","STK526942","","C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O","OMVRLLONIMTCRK-UHFFFAOYSA-N","389239",NA,"PDBC52801","684992","Present"
-"STK527518","","","","","","","","","","","","","","","","","","","","STK527518","","CC1C2(OCC(C1(C#N)C#N)(C(=N)O2)C#N)C","ODRWBZAABDXWPM-UHFFFAOYSA-N","387800",NA,"PDBC52802","681872","Present"
-"STK527948","","","","","","","","","","","","","","","","","","","","STK527948","","CC1=C(C(=NO1)C)N=NC2=C(C3=NON=C3C=C2)N","SSIUUOSFZVPBAE-UHFFFAOYSA-N","379412",NA,"PDBC52803","663954","Present"
-"STK528172","","","","","","","","","","","","","","","","","","","","STK528172","","C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NCCO)O","MBGFXTSZNLJTQD-UHFFFAOYSA-N","54677433",NA,"PDBC52804","675810","Present"
-"STK528728","","","","","","","","","","","","","","","","","","","","STK528728","","CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C(C)C)C","YFTCCNUPLDVNDH-UHFFFAOYSA-N","387802",NA,"PDBC52805","681874","Present"
-"STK528824","","","","","","","","","","","","","","","","","","","","STK528824","","CCOC1=CC2=C(C=C1)N=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CN=CC=C3","MPHQHQBHNQGHIK-UHFFFAOYSA-N","401438",NA,"PDBC52806","715098","Present"
-"STK529439","","","","","","","","","","","","","","","","","","","","STK529439","","C1CCC23C(C1)C(C(C(O2)C4=CC=CO4)(C(=N)O3)C#N)(C#N)C#N","VEZFHWQYKDHODL-UHFFFAOYSA-N","387809",NA,"PDBC52807","681881","Present"
-"STK529683","","","","","","","","","","","","","","","","","","","","STK529683","","C1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC=CO3","XOZGFVVIJIHNCC-UHFFFAOYSA-N","387742",NA,"PDBC52808","681771","Present"
-"STK529743","","","","","","","","","","","","","","","","","","","","STK529743","","C1CCC23C(C1)C(C(C(O2)C4=CC=CC=C4)(C(=N)O3)C#N)(C#N)C#N","YDHPTFXGAJFNQY-UHFFFAOYSA-N","387810",NA,"PDBC52809","681882","Present"
-"STK530002","","","","","","","","","","","","","","","","","","","","STK530002","","CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=CC=C3)C","YNQTYKJCVYDGNT-UHFFFAOYSA-N","387804",NA,"PDBC52810","681876","Present"
-"STK533980","","","","","","","","","","","","","","","","","","","","STK533980","","C1=CC(=CC=C1C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4)Cl","PTXJSSLSLXBAEJ-UHFFFAOYSA-N","3003719",NA,"PDBC52811","705850","Present"
-"STK534857","","","","","","","","","","","","","","","","","","","","STK534857","","COC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCN5CCOCC5)N)OC","KTCFYDANRCUFDE-UHFFFAOYSA-N","1912526",NA,"PDBC52812","744231","Present"
-"STK535178","","","","","","","","","","","","","","","","","","","","STK535178","","CC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(S2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","PAVVBYSDAVHPHX-UHFFFAOYSA-N","375444",NA,"PDBC52813","655167","Present"
-"STK535329","","","","","","","","","","","","","","","","","","","","STK535329","","C1CCC23C(C1)C(C(CO2)(C(=N)O3)C#N)(C#N)C#N","UNPBKPAANJMRCG-UHFFFAOYSA-N","387806",NA,"PDBC52814","681878","Present"
-"STK535604","","","","","","","","","","","","","","","","","","","","STK535604","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5","MHVNIYGPHFNYRW-UHFFFAOYSA-N","364791",NA,"PDBC52815","631550","Present"
-"STK535899","","","","","","","","","","","","","","","","","","","","STK535899","","CN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","GUNUJEHGUYLPRR-UHFFFAOYSA-N","237102",NA,"PDBC52816","40342","Present"
-"STK536089","","","","","","","","","","","","","","","","","","","","STK536089","","C1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CO3","GUPFTQZXYCJXSL-UHFFFAOYSA-N","387725",NA,"PDBC52817","681754","Present"
-"STK537384","","","","","","","","","","","","","","","","","","","","STK537384","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4","UWLLCNUKKMXBKH-UHFFFAOYSA-N","361080",NA,"PDBC52818","623885","Present"
-"STK537685","","","","","","","","","","","","","","","","","","","","STK537685","","COC(=O)C1=C(C(=NC2=C1CCC2)N)C#N","SNIKKGLKPIVMGZ-UHFFFAOYSA-N","394328",NA,"PDBC52819","697697","Present"
-"STK544180","","","","","","","","","","","","","","","","","","","","STK544180","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4","MPCYBPNOLBTPOA-UHFFFAOYSA-N","358533",NA,"PDBC52820","618541","Present"
-"STK549766","","","","","","","","","","","","","","","","","","","","STK549766","","C1=CC=C(C=C1)C2C(C(=C(N2C3=CC=CC=C3)N)C#N)(C#N)C#N","VPVNUZANVWHEPW-UHFFFAOYSA-N","387726",NA,"PDBC52821","681755","Present"
-"STK558857","","","","","","","","","","","","","","","","","","","","STK558857","","CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O","AHOQBMMKXUYLMD-UHFFFAOYSA-N","931309",NA,"PDBC52822","729133","Present"
-"STK559095","","","","","","","","","","","","","","","","","","","","STK559095","","C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)NC2=S","NNCAHROHJUVHBU-UHFFFAOYSA-N","1550629",NA,"PDBC52823","715722","Present"
-"STK565600","","","","","","","","","","","","","","","","","","","","STK565600","","CCOC(=O)C=CC1=C(NC(=O)NC1=O)C","DGMCWSFLTABWGO-SNAWJCMRSA-N","741352",NA,"PDBC52824","159935","Present"
-"STK614011","","","","","","","","","","","","","","","","","","","","STK614011","","C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=CC=C(C=C3)O","DNFHMXRBWQAULZ-CXUHLZMHSA-N","135494004",NA,"PDBC52825","691079","Present"
-"STK631817","","","","","","","","","","","","","","","","","","","","STK631817","","C1C(C(=O)NC1=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4","CCTHQRGUCMCKIK-UHFFFAOYSA-N","363325",NA,"PDBC52826","628182","Present"
-"STK632730","","","","","","","","","","","","","","","","","","","","STK632730","","COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4CCOCC4)OC","POUGOEFZYGQTHG-UHFFFAOYSA-N","339886",NA,"PDBC52827","368252","Present"
-"STK637981","","","","","","","","","","","","","","","","","","","","STK637981","","CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CC3=CC=CC=C3)C","YPHJCHIJLIRXNQ-UHFFFAOYSA-N","393677",NA,"PDBC52828","696053","Present"
-"STK664517","","","","","","","","","","","","","","","","","","","","STK664517","","CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C","XWTOJLSHBVULCC-UHFFFAOYSA-N","374277",NA,"PDBC52829","651778","Present"
-"STK673166","","","","","","","","","","","","","","","","","","","","STK673166","","CC1=CC2=C(C=C1)N3C=C(N=C3S2)C4=CC=C(C=C4)OC","XPUBULNOUXFYNL-UHFFFAOYSA-N","402995",NA,"PDBC52830","717468","Present"
-"STK673269","","","","","","","","","","","","","","","","","","","","STK673269","","CCCCCCCC(=O)NN=CC1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-]","QGMSIYWYHKUQCH-KGENOOAVSA-N","9572482",NA,"PDBC52831","717478","Present"
-"STK673452","","","","","","","","","","","","","","","","","","","","STK673452","","CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3O)[N+](=O)[O-]","PLHDFTJRGZEFCG-RGVLZGJSSA-N","9552577",NA,"PDBC52832","717514","Present"
-"STK673670","","","","","","","","","","","","","","","","","","","","STK673670","","CCOC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])O)O","BAUAMIRCWOSVHX-FSJBWODESA-N","135436289",NA,"PDBC52833","717541","Present"
-"STK673803","","","","","","","","","","","","","","","","","","","","STK673803","","CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CSC3=NN=C(S3)SCC(=O)N4C(CC(=N4)C)(C5=CC=CC=C5)O","KXYIQDMDGXBJFM-UHFFFAOYSA-N","396456",NA,"PDBC52834","702429","Present"
-"STK673848","","","","","","","","","","","","","","","","","","","","STK673848","","CN1C2=CC=CC=C2N3C1=NC(=C3N=O)C4=CC=CC=C4","CTLRNSMFCIIPOO-UHFFFAOYSA-N","403091",NA,"PDBC52835","717563","Present"
-"STK673880","","","","","","","","","","","","","","","","","","","","STK673880","","CN1C=CN=C1SC2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5CCCCC5)[N+](=O)[O-]","FKUUALRUFNRKIU-UHFFFAOYSA-N","403094",NA,"PDBC52836","717566","Present"
-"STK676952","","","","","","","","","","","","","","","","","","","","STK676952","","CC1C(C(=C(C1(C#N)C#N)C#N)N)(C)[N+](=O)[O-]","RVWJDIMDWOLYAH-UHFFFAOYSA-N","387748",NA,"PDBC52837","681777","Present"
-"STK677116","","","","","","","","","","","","","","","","","","","","STK677116","","CCN(CC)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2","HNXVXXIPESJDSF-UHFFFAOYSA-N","300574",NA,"PDBC52838","175637","Present"
-"STK678461","","","","","","","","","","","","","","","","","","","","STK678461","","CC1C2CC(C1(C)C)CC23OCC(O3)CCl","ARRMJBMUKXIDRB-UHFFFAOYSA-N","384031",NA,"PDBC52839","673142","Present"
-"STK679068","","","","","","","","","","","","","","","","","","","","STK679068","","CC1=NC2=C(C(=O)N1)SC(=S)N2C3=CC=CC=C3","SBNWDVUYFCQHKQ-UHFFFAOYSA-N","135403594",NA,"PDBC52840","652022","Present"
-"STK684183","","","","","","","","","","","","","","","","","","","","STK684183","","COC1=C(C=C(C=C1)C=CC2=NC(=S)NN2)OC","TYYZIQLCEXHHHL-GQCTYLIASA-N","5294259",NA,"PDBC52841","634490","Present"
-"STK684752","","","","","","","","","","","","","","","","","","","","STK684752","","CC1=CC(=C(C=C1)C)COCCOCN2C3=C(C=C(C=C3)Br)C(=O)NC2=O","AJBVHJGNSORQLC-UHFFFAOYSA-N","395260",NA,"PDBC52842","699738","Present"
-"STK687015","","","","","","","","","","","","","","","","","","","","STK687015","","C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)C(C4=CC=C(C=C4)Cl)C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O)O","ZNODYWNUWQTRKQ-UHFFFAOYSA-N","54687023",NA,"PDBC52843","642520","Present"
-"STK689992","","","","","","","","","","","","","","","","","","","","STK689992","","CCOC(=O)C(C(=O)OCC)C(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC","PAGRKQQWQGUZBZ-UHFFFAOYSA-N","383552",NA,"PDBC52844","671970","Present"
-"STK690050","","","","","","","","","","","","","","","","","","","","STK690050","","CC1CN=C(S1)N(C2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","PVRQPOJKMCLIQD-UHFFFAOYSA-N","383617",NA,"PDBC52845","672035","Present"
-"STK690127","","","","","","","","","","","","","","","","","","","","STK690127","","CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CCN(C)C)C","UBZNRZZDKFWRFR-UHFFFAOYSA-N","393678",NA,"PDBC52846","696054","Present"
-"STK690787","","","","","","","","","","","","","","","","","","","","STK690787","","CCOP(=O)(C(C)(C)OC(=O)NC(F)(F)F)OCC","FTLYMVODDOIMGW-UHFFFAOYSA-N","382506",NA,"PDBC52847","670113","Present"
-"STK690881","","","","","","","","","","","","","","","","","","","","STK690881","","CC1CN=C(S1)N(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3","HSBQNSJYZKDWEL-UHFFFAOYSA-N","383606",NA,"PDBC52848","672024","Present"
-"STK690976","","","","","","","","","","","","","","","","","","","","STK690976","","CC1CN=C(S1)N(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)F)Cl","ABCRPRBTFLEVML-UHFFFAOYSA-N","383619",NA,"PDBC52849","672037","Present"
-"STK690979","","","","","","","","","","","","","","","","","","","","STK690979","","CC1CN=C(S1)N(CC2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)Cl","COYZVTPYDRTTPJ-UHFFFAOYSA-N","383618",NA,"PDBC52850","672036","Present"
-"STK690992","","","","","","","","","","","","","","","","","","","","STK690992","","CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC(=CC=C1)F","MXOVSHPGEPHRFF-UHFFFAOYSA-N","383680",NA,"PDBC52851","672098","Present"
-"STK691020","","","","","","","","","","","","","","","","","","","","STK691020","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC(=C(C=C1)F)Cl","ZRKQZIKBYJDQCC-UHFFFAOYSA-N","389134",NA,"PDBC52852","684819","Present"
-"STK691036","","","","","","","","","","","","","","","","","","","","STK691036","","C1C(SC(=N1)N(C2=C(C=C(C=C2)F)F)C(=O)NC3=CC=CC=C3)CI","MYXWVAAOLVVCHA-UHFFFAOYSA-N","389122",NA,"PDBC52853","684807","Present"
-"STK691038","","","","","","","","","","","","","","","","","","","","STK691038","","CC1CN=C(S1)N(C2CCCCC2)C(=O)NC3=CC=CC=C3","XOQYOZDMJTYGHL-UHFFFAOYSA-N","383616",NA,"PDBC52854","672034","Present"
-"STK697787","","","","","","","","","","","","","","","","","","","","STK697787","","CN1C=NC2=C1C(=O)N(C(=O)N2C)CCNCCO","GCBYEJFGRAZNDG-UHFFFAOYSA-N","386043",NA,"PDBC52855","677609","Present"
-"STK699781","","","","","","","","","","","","","","","","","","","","STK699781","","CC1=C(C=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","SBIYCHORJOJXNT-DJKKODMXSA-N","6882718",NA,"PDBC52856","683616","Present"
-"STK700086","","","","","","","","","","","","","","","","","","","","STK700086","","C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CN5C=CSC5=N4","OTFIBBSPZPBMHB-UHFFFAOYSA-N","403456",NA,"PDBC52857","718323","Present"
-"STK701172","","","","","","","","","","","","","","","","","","","","STK701172","","CN1C2=C(N=C1N=NN(C)C)N(C(=O)N(C2=O)C)C","AZZFNPKVCVRPGF-OUKQBFOZSA-N","5469134",NA,"PDBC52858","683592","Present"
-"STK701173","","","","","","","","","","","","","","","","","","","","STK701173","","CC(C(C1=CC=CC=C1)O)N(C)N=NC2=NC3=C(N2)C(=O)N(C(=O)N3C)C","DKPWRKAANNQCOW-QZQOTICOSA-N","135493926",NA,"PDBC52859","683615","Present"
-"STK701176","","","","","","","","","","","","","","","","","","","","STK701176","","CC1=NC2=C(N1)C=C(C=C2)N=NN(C)C","VADKDILSAFKYEB-UHFFFAOYSA-N","388579",NA,"PDBC52860","683591","Present"
-"STK701514","","","","","","","","","","","","","","","","","","","","STK701514","","C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)C4=CC=CC=C4","OXXLSKYAVUMAON-WJDWOHSUSA-N","1526878",NA,"PDBC52861","753907","Present"
-"STK706368","","","","","","","","","","","","","","","","","","","","STK706368","","C1=CC(=CC=C1C2=NN3C(=NN=C3S2)C4=CC=NC=C4)Cl","CIARWZKZGKXKHS-UHFFFAOYSA-N","403623",NA,"PDBC52862","718691","Present"
-"STK709455","","","","","","","","","","","","","","","","","","","","STK709455","","C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=C(C=CC(=C3)Cl)Cl","UPLGTJFVIHONDV-UHFFFAOYSA-N","359684",NA,"PDBC52863","621099","Present"
-"STK710498","","","","","","","","","","","","","","","","","","","","STK710498","","CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)N(C)C","CHPVRKFQEYCBJU-XDHOZWIPSA-N","6861487",NA,"PDBC52864","685850","Present"
-"STK711315","","","","","","","","","","","","","","","","","","","","STK711315","","C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC(=O)CSC3=NC=CC=N3","ZZCICVCTQYNJBR-YDZHTSKRSA-N","6877444",NA,"PDBC52865","717499","Present"
-"STK716556","","","","","","","","","","","","","","","","","","","","STK716556","","CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=CC=C3Cl)F","SBUANIAUGARJCP-UHFFFAOYSA-N","342450",NA,"PDBC52866","379399","Present"
-"STK719598","","","","","","","","","","","","","","","","","","","","STK719598","","CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C)CC3=CC=CC=C3)C","LHQUSTNHYRLWBI-UHFFFAOYSA-N","393679",NA,"PDBC52867","696055","Present"
-"STK720139","","","","","","","","","","","","","","","","","","","","STK720139","","C1=CC=C(C=C1)C2C3C(NC(C(C3=O)C(N2)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","ITTQAMYBEGYMAS-UHFFFAOYSA-N","275373",NA,"PDBC52868","122140","Present"
-"STK720588","","","","","","","","","","","","","","","","","","","","STK720588","","CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NC3=CC=C(C=C3)Cl","CZAZAFJTIGQKHD-UHFFFAOYSA-N","1550527",NA,"PDBC52869","690141","Present"
-"STK720596","","","","","","","","","","","","","","","","","","","","STK720596","","CN1CCC2=C(C1)SC3=C2C(=S)NC(=S)N3","ZSDDOXAKPQMMSQ-UHFFFAOYSA-N","911734",NA,"PDBC52870","704840","Present"
-"STK722464","","","","","","","","","","","","","","","","","","","","STK722464","","CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NC3=CC=CC=C3","MVSAADYNNLGYHB-UHFFFAOYSA-N","1241200",NA,"PDBC52871","690140","Present"
-"STK725430","","","","","","","","","","","","","","","","","","","","STK725430","","CC1=C(C(=O)N=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CC=CC=C3","XPTMGZAEBMBAFU-UHFFFAOYSA-N","379772",NA,"PDBC52872","664746","Present"
-"STK726577","","","","","","","","","","","","","","","","","","","","STK726577","","C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)N4C5=CC=CC=C5N=C4S3","LSMSWMATNWABID-PDGQHHTCSA-N","825616",NA,"PDBC52873","633953","Present"
-"STK726773","","","","","","","","","","","","","","","","","","","","STK726773","","CC1=C(SC(=C1C#N)N=CC2=CNC3=CC=CC=C32)C","QWUZKLGMYXAWHL-DJKKODMXSA-N","135436283",NA,"PDBC52874","717497","Present"
-"STK728476","","","","","","","","","","","","","","","","","","","","STK728476","","CC1=NN=C2N1C3=CC=CC=C3N4C2=NN=C4C","RMWKZMYTLZKGLY-UHFFFAOYSA-N","370490",NA,"PDBC52875","643712","Present"
-"STK732196","","","","","","","","","","","","","","","","","","","","STK732196","","CC1=NC2=C(N1C)C(=O)C3=CC=CC=C3C2=O","DSABGXKNIWFVGX-UHFFFAOYSA-N","284925",NA,"PDBC52876","141313","Present"
-"STK741596","","","","","","","","","","","","","","","","","","","","STK741596","","C1=CC(=C(C=C1Cl)C=NC2=CNC(=O)NC2=O)O","QGYSILWPKRLXKZ-UHFFFAOYSA-N","404523",NA,"PDBC52877","720760","Present"
-"STK742124","","","","","","","","","","","","","","","","","","","","STK742124","","COC1=CC=C(C=C1)C2=CC(N3C(=NN=N3)N2)C4=CC=CC=C4","IAWOUBLINIPCDL-UHFFFAOYSA-N","404638",NA,"PDBC52878","721066","Present"
-"STK744394","","","","","","","","","","","","","","","","","","","","STK744394","","CN1C=NC(=C1SC2=NN=NN2C)[N+](=O)[O-]","KDJRUQCVYMLTGU-UHFFFAOYSA-N","364619",NA,"PDBC52879","631151","Present"
-"STK746463","","","","","","","","","","","","","","","","","","","","STK746463","","C1CC2=NON=C2C(=O)NC1","HLLCOQBFTOLPAY-UHFFFAOYSA-N","379409",NA,"PDBC52880","663951","Present"
-"STK746611","","","","","","","","","","","","","","","","","","","","STK746611","","C12=NNN=C1C3=NNN=C3C4=NNN=C24","ZDPWWLUQROVMON-UHFFFAOYSA-N","379401",NA,"PDBC52881","663943","Present"
-"STK746990","","","","","","","","","","","","","","","","","","","","STK746990","","COC(=O)C1=CC=CC=C1C2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)Br)[N+](=O)[O-]","CBDATKILVFMVJZ-UHFFFAOYSA-N","401625",NA,"PDBC52882","715322","Present"
-"STK753328","","","","","","","","","","","","","","","","","","","","STK753328","","CC1(CC2=C(CO1)C3=C(C(=C2C#N)N)C(=O)OC3=O)C","HIFPDOZLKICRAD-UHFFFAOYSA-N","375111",NA,"PDBC52883","654234","Present"
-"STK755463","","","","","","","","","","","","","","","","","","","","STK755463","","CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]","YIYRDMKDZUOZFG-RGVLZGJSSA-N","9572479",NA,"PDBC52884","717462","Present"
-"STK755622","","","","","","","","","","","","","","","","","","","","STK755622","","CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)F)[N+](=O)[O-]","XQEDXPRIFQVGQG-NHDPSOOVSA-N","5435288",NA,"PDBC52885","717469","Present"
-"STK755658","","","","","","","","","","","","","","","","","","","","STK755658","","CC1=CC=CC=C1C(=O)NN=CC2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]","NYUFFUQPTJBUIO-CIAFOILYSA-N","9558334",NA,"PDBC52886","717471","Present"
-"STK755769","","","","","","","","","","","","","","","","","","","","STK755769","","C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CNC5=CC=CC=C54","JHOJINRCNRUROK-UHFFFAOYSA-N","403004",NA,"PDBC52887","717477","Present"
-"STK755898","","","","","","","","","","","","","","","","","","","","STK755898","","CC1=C(C(=NC(=N1)C)NN=CC=CC2=CC=CC=C2)CC=C","NQKHCTAIYDIWJU-FWBOJEOFSA-N","1550654",NA,"PDBC52888","717487","Present"
-"STK755911","","","","","","","","","","","","","","","","","","","","STK755911","","C1=CC=C2C(=C1)C(=CN2)CCN=CC3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F","ZRXOMABEDWDRJR-UHFFFAOYSA-N","403016",NA,"PDBC52889","717489","Present"
-"STK755939","","","","","","","","","","","","","","","","","","","","STK755939","","CCOC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=C(C=CC(=C4)Br)O)O","GZHARWXYZUYVDT-ZMOGYAJESA-N","135436282",NA,"PDBC52890","717492","Present"
-"STK756244","","","","","","","","","","","","","","","","","","","","STK756244","","CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)Cl","PSWUWKSWXBQZGC-UHFFFAOYSA-N","403045",NA,"PDBC52891","717517","Present"
-"STK756272","","","","","","","","","","","","","","","","","","","","STK756272","","CCCC1=CC=C(C=C1)OCC(=O)NN=CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4","QOFSOJPQMZCILY-WPWMEQJKSA-N","135436286",NA,"PDBC52892","717518","Present"
-"STK756286","","","","","","","","","","","","","","","","","","","","STK756286","","CC1=CC(=NC(=N1)SC(C)C(=O)NN=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C","VQXXVQALDYYTMQ-ZVHZXABRSA-N","9572485",NA,"PDBC52893","717519","Present"
-"STK756417","","","","","","","","","","","","","","","","","","","","STK756417","","C=CCC1=CC=CC=C1OCC(=O)NN=CC2=CNC3=CC=CC=C32","HNDBQWFUFSXFIJ-LPYMAVHISA-N","135436287",NA,"PDBC52894","717532","Present"
-"STK756453","","","","","","","","","","","","","","","","","","","","STK756453","","C1=CC=C(C(=C1)C=NC2=C(N=C3N2C=CC=C3)C4=CC=CO4)OCC5=C(C=C(C=C5)Cl)Cl","DCEFEMYIKWORGF-RWPZCVJISA-N","9572488",NA,"PDBC52895","717533","Present"
-"STK756494","","","","","","","","","","","","","","","","","","","","STK756494","","CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CNC3=C2C=C(C=C3)Br","NXQQZMCDYUVBBV-BHGWPJFGSA-N","135436288",NA,"PDBC52896","717538","Present"
-"STK756785","","","","","","","","","","","","","","","","","","","","STK756785","","CC1=NC=CN1S(=O)(=O)C2=C(C=C(C=C2)Br)Br","MGOXBNGXLWRBOI-UHFFFAOYSA-N","403082",NA,"PDBC52897","717554","Present"
-"STK756791","","","","","","","","","","","","","","","","","","","","STK756791","","C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC4=C(C(=C(C(=C4F)F)C(F)(F)F)F)F","ZXFISPMCGIULDV-VNTWQREPSA-N","5341790",NA,"PDBC52898","717556","Present"
-"STK756832","","","","","","","","","","","","","","","","","","","","STK756832","","CC1CCC(C(C1)OC(=O)CSC2=NC(=CC(=N2)C)C)C(C)C","FZBFKPLJBKXMHI-UHFFFAOYSA-N","403087",NA,"PDBC52899","717559","Present"
-"STK756899","","","","","","","","","","","","","","","","","","","","STK756899","","C1=CC=C2C(=C1)C(=CN2)C=NNC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F","FUWNJKLHICLIPY-HGBQSQDTSA-N","135436290",NA,"PDBC52900","717562","Present"
-"STK759573","","","","","","","","","","","","","","","","","","","","STK759573","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=CC=C1F","BAXVDNKZDAGOTJ-UHFFFAOYSA-N","383675",NA,"PDBC52901","672093","Present"
-"STK761190","","","","","","","","","","","","","","","","","","","","STK761190","","CC1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N","ZZCWZTUTWMUMIA-UHFFFAOYSA-N","387807",NA,"PDBC52902","681879","Present"
-"STK761207","","","","","","","","","","","","","","","","","","","","STK761207","","C1C2C(C(C(C(O1)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","JSRSLTCFTYHIRT-UHFFFAOYSA-N","390934",NA,"PDBC52903","689187","Present"
-"STK761344","","","","","","","","","","","","","","","","","","","","STK761344","","CC1=CC(=C(C=C1)C(=CC(=O)C(=O)C=C(C2=C(C=C(C=C2)C)C)O)O)C","AXOYPCRZROGMDX-YZLQMOBTSA-N","5290828",NA,"PDBC52904","707060","Present"
-"STK762189","","","","","","","","","","","","","","","","","","","","STK762189","","CC1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3NC2=O)O","DQJJZVMFWIZHGZ-YBEGLDIGSA-N","135426824",NA,"PDBC52905","720447","Present"
-"STK763955","","","","","","","","","","","","","","","","","","","","STK763955","","CC1C(C(=C(C1([N+](=O)[O-])Cl)N)C#N)(C#N)C#N","CWRGCDKIXIGGAV-UHFFFAOYSA-N","387749",NA,"PDBC52906","681778","Present"
-"STK763956","","","","","","","","","","","","","","","","","","","","STK763956","","COC1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]","STDVTKCDSKGUQG-UHFFFAOYSA-N","387740",NA,"PDBC52907","681769","Present"
-"STK764362","","","","","","","","","","","","","","","","","","","","STK764362","","CC1=C(C(=NO1)C)N2N=C3C=CC4=NON=C4C3=N2","HGGNMXMIRWLMEI-UHFFFAOYSA-N","382092",NA,"PDBC52908","669451","Present"
-"STK764451","","","","","","","","","","","","","","","","","","","","STK764451","","CC1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C(C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]","OVXZFXOPYORVNX-UHFFFAOYSA-N","404273",NA,"PDBC52909","720451","Present"
-"STK766740","","","","","","","","","","","","","","","","","","","","STK766740","","CCOC1=C(C=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-])OCC","BCJAUPOXJFTTNG-UHFFFAOYSA-N","376288",NA,"PDBC52910","657002","Present"
-"STK766820","","","","","","","","","","","","","","","","","","","","STK766820","","COC1=C(C=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-])OC","XIYCSWUAXBKLHP-UHFFFAOYSA-N","381153",NA,"PDBC52911","667471","Present"
-"STK771611","","","","","","","","","","","","","","","","","","","","STK771611","","C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)Cl","QWCCPFNBTXBJLC-UHFFFAOYSA-N","764370",NA,"PDBC52912","699747","Present"
-"STK777045","","","","","","","","","","","","","","","","","","","","STK777045","","C1=CC=C2C(=C1)N=C3N2C(=O)C4=C(C(=C(C(=C4S3)F)F)F)F","IIUYXSVKMWXCSD-UHFFFAOYSA-N","383498",NA,"PDBC52913","671883","Present"
-"STK786761","","","","","","","","","","","","","","","","","","","","STK786761","","CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC=C1F","UOKORTHVNULANK-UHFFFAOYSA-N","383679",NA,"PDBC52914","672097","Present"
-"STK786811","","","","","","","","","","","","","","","","","","","","STK786811","","CCOC(=O)C(C(F)(F)F)(NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2","LQAQMULZKGRQLW-UHFFFAOYSA-N","389128",NA,"PDBC52915","684813","Present"
-"STK786814","","","","","","","","","","","","","","","","","","","","STK786814","","CC1CN=C(S1)N(C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC=C3","OHVWSBHQJCNHKC-UHFFFAOYSA-N","383607",NA,"PDBC52916","672025","Present"
-"STK788796","","","","","","","","","","","","","","","","","","","","STK788796","","C1=CC=C(C=C1)C2C3=C(C4=C(C=CC=N4)C=C3)OC(=C2C#N)N","VNPNHFYNGHHFDS-UHFFFAOYSA-N","364824",NA,"PDBC52917","631583","Present"
-"STK788929","","","","","","","","","","","","","","","","","","","","STK788929","","CC1=CC(=C(C(=O)N1)C(C2=CC=NC=C2)C3=C(C=C(NC3=O)C)O)O","BAHJAYPEIUZAKO-UHFFFAOYSA-N","54697754",NA,"PDBC52918","311432","Present"
-"STK789452","","","","","","","","","","","","","","","","","","","","STK789452","","COC(=O)CC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N","QUKLZYRIMJLIOL-UHFFFAOYSA-N","364721",NA,"PDBC52919","631379","Present"
-"STK791667","","","","","","","","","","","","","","","","","","","","STK791667","","C1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl","ZUFSDFSKQNAXID-UHFFFAOYSA-N","327070",NA,"PDBC52920","300545","Present"
-"STK794720","","","","","","","","","","","","","","","","","","","","STK794720","","C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C(F)(F)F","BOCDRQDDEPQHIV-UHFFFAOYSA-N","384016",NA,"PDBC52921","673121","Present"
-"STK795112","","","","","","","","","","","","","","","","","","","","STK795112","","COC1=CC=CC=C1NC(=S)N=NC2=C(NC3=CC=CC=C32)O","IEZNDNUPRTZGQQ-UHFFFAOYSA-N","930589",NA,"PDBC52922","668503","Present"
-"STK795136","","","","","","","","","","","","","","","","","","","","STK795136","","C1=CC(=CC=C1NC(=S)N=NC2=C(NC3=C2C=C(C=C3)Br)O)F","PSCATEPWKBMJOU-UHFFFAOYSA-N","1984902",NA,"PDBC52923","716771","Present"
-"STK801334","","","","","","","","","","","","","","","","","","","","STK801334","","C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O","HSTZMXCBWJGKHG-UPHRSURJSA-N","5470019",NA,"PDBC52924","696476","Present"
-"STK803595","","","","","","","","","","","","","","","","","","","","STK803595","","COC1=C(C=CC(=C1)C=O)OC2=NN=NN2C3=CC=CC=C3","OEPJPTAWNNFNIP-UHFFFAOYSA-N","398233",NA,"PDBC52925","707834","Present"
-"STK805697","","","","","","","","","","","","","","","","","","","","STK805697","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=C3)O","RSZWSKKQSBCVGA-UHFFFAOYSA-N","135426592",NA,"PDBC52926","701074","Present"
-"STK805705","","","","","","","","","","","","","","","","","","","","STK805705","","CC1=NC(=CS1)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O","GLWXFKNNQNFRQB-UHFFFAOYSA-N","389237",NA,"PDBC52927","684990","Present"
-"STK805785","","","","","","","","","","","","","","","","","","","","STK805785","","CC1=NC(=CS1)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O","VNMJQBLLODGGKP-UHFFFAOYSA-N","389234",NA,"PDBC52928","684987","Present"
-"STK806141","","","","","","","","","","","","","","","","","","","","STK806141","","C1=CC=C2C(=C1)C=CC3=C2C4=C(C(=N3)C5=CC(=CC=C5)Br)C(=O)C6=CC=CC=C64","PGDOAPTVQYBNLL-UHFFFAOYSA-N","394734",NA,"PDBC52929","698402","Present"
-"STK806143","","","","","","","","","","","","","","","","","","","","STK806143","","CCN(CC)C1=CC=C(C=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54","IHUGPVCLVYKUTF-UHFFFAOYSA-N","394738",NA,"PDBC52930","698406","Present"
-"STK806155","","","","","","","","","","","","","","","","","","","","STK806155","","CN(C)C1=C2C(=CC=C3C2=C(CCC34C=CC(=O)C5=C4C=CC=C5N(C)C)C=C1)N(C)C","BUCXQKQWSZDMOG-UHFFFAOYSA-N","383780",NA,"PDBC52931","672227","Present"
-"STK807039","","","","","","","","","","","","","","","","","","","","STK807039","","COC(CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)OC","IPQNHLBUWYQHDL-UHFFFAOYSA-N","357360",NA,"PDBC52932","615794","Present"
-"STK810513","","","","","","","","","","","","","","","","","","","","STK810513","","C1=CC=C(C=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N","LTPHMANJAFYCAC-UHFFFAOYSA-N","365506",NA,"PDBC52933","633186","Present"
-"STK820989","","","","","","","","","","","","","","","","","","","","STK820989","","CC1=CC=C(C=C1)C2=C(C(=O)NC(=N2)SC)C#N","NNIQEEQFVMOEPQ-UHFFFAOYSA-N","135445045",NA,"PDBC52934","686028","Present"
-"STK828375","","","","","","","","","","","","","","","","","","","","STK828375","","C1=CC(=CN=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CO3","RCSBRBMXPZDRNQ-GHXNOFRVSA-N","1372564",NA,"PDBC52935","329261","Present"
-"STK830483","","","","","","","","","","","","","","","","","","","","STK830483","","COC1=CC=C(C=C1)C2=CN3C=CSC3=N2","DHZNOEONHMHDQZ-UHFFFAOYSA-N","369507",NA,"PDBC52936","641287","Present"
-"STK832477","","","","","","","","","","","","","","","","","","","","STK832477","","C1=CC=C2C(=C1)N=C(C(=O)O2)C=C(C3=CC=C(C=C3)Cl)O","BANXOUCTIGXFDK-ZROIWOOFSA-N","135450466",NA,"PDBC52937","682580","Present"
-"STK833289","","","","","","","","","","","","","","","","","","","","STK833289","","CC1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3OC2=O)O","LWKXKDSRUIRUIF-GDNBJRDFSA-N","135420902",NA,"PDBC52938","682584","Present"
-"STK833340","","","","","","","","","","","","","","","","","","","","STK833340","","CC(C)(C)C1=CC(=NN1C2=CC=CC=C2)C3=NN(C(=C3)C(C)(C)C)C4=CC=CC=C4","DLGNUGVUKPQERU-UHFFFAOYSA-N","390368",NA,"PDBC52939","687707","Present"
-"STK833620","","","","","","","","","","","","","","","","","","","","STK833620","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=CC=CC=C3O","CBICRZIRWSPYNP-UDWIEESQSA-N","6869212",NA,"PDBC52940","651700","Present"
-"STK833713","","","","","","","","","","","","","","","","","","","","STK833713","","C1C(O1)CN2C3=CC=CC=C3N(C2=O)CC4CS4","PVNJZTPYXVENIB-UHFFFAOYSA-N","374916",NA,"PDBC52941","653501","Present"
-"STK833715","","","","","","","","","","","","","","","","","","","","STK833715","","CC1(C(N(C(=N1)C(=O)C2=CC=CC=C2)O)(C3=CC=CC=C3)O)C","RASCYQMDJSGGPK-UHFFFAOYSA-N","379389",NA,"PDBC52942","663931","Present"
-"STK834713","","","","","","","","","","","","","","","","","","","","STK834713","","CCSC1=C(C2(CCCCC2)C3=C(N1)CC(CC3=O)(C)C)C#N","GHHBOEVYGHHKAY-UHFFFAOYSA-N","398165",NA,"PDBC52943","707697","Present"
-"STK834836","","","","","","","","","","","","","","","","","","","","STK834836","","COC1(C(CCC2=[N+](ON=C21)[O-])O)OC","YCKQVGQMORSQNB-UHFFFAOYSA-N","379419",NA,"PDBC52944","663961","Present"
-"STK837424","","","","","","","","","","","","","","","","","","","","STK837424","","CC1=CC=C(C=C1)C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C(C4=CC=C(C=C4)C)O)O","NMFAWSNZMBACCX-CPZPTNFUSA-N","135481380",NA,"PDBC52945","682581","Present"
-"STK839136","","","","","","","","","","","","","","","","","","","","STK839136","","C1=CC=C(C=C1)C2=NN(C3(S2)C4=CC=CC=C4C(S3)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7","HVPUQUYPZLOXNF-UHFFFAOYSA-N","375443",NA,"PDBC52946","655166","Present"
-"STK839301","","","","","","","","","","","","","","","","","","","","STK839301","","CCOC(=O)C(=O)N=NC1=C(NC2=CC=CC=C21)O","YGEPQINLIMIKPR-UHFFFAOYSA-N","396300",NA,"PDBC52947","702013","Present"
-"STK842077","","","","","","","","","","","","","","","","","","","","STK842077","","CC1(CC(=O)C(C(C1C(=O)OC)C2=CC=C(C=C2)N(C)C)C(=O)OC)O","ZDBRIPNGYGPMKT-UHFFFAOYSA-N","386765",NA,"PDBC52948","679444","Present"
-"STK844929","","","","","","","","","","","","","","","","","","","","STK844929","","COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3O2)O","NBUYXGHZLAQHCO-XYOKQWHBSA-N","135436357",NA,"PDBC52949","720662","Present"
-"STK845237","","","","","","","","","","","","","","","","","","","","STK845237","","C1=CC=C2C(=C1)N=C(O2)C(=CC3=CN=CC=C3)C#N","QAYJPLYGOMSMJT-XYOKQWHBSA-N","5924627",NA,"PDBC52950","737748","Present"
-"STK846793","","","","","","","","","","","","","","","","","","","","STK846793","","C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","RJVOSSOGDUDYNO-UHFFFAOYSA-N","393001",NA,"PDBC52951","694253","Present"
-"STK853238","","","","","","","","","","","","","","","","","","","","STK853238","","COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O","QKLJNZJRPPHLQV-UHFFFAOYSA-N","389241",NA,"PDBC52952","684994","Present"
-"STK857322","","","","","","","","","","","","","","","","","","","","STK857322","","C1=CC=C(C(=C1)CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O)Cl","DUTARUSOSJPZRN-UHFFFAOYSA-N","54678957",NA,"PDBC52953","675974","Present"
-"STK860446","","","","","","","","","","","","","","","","","","","","STK860446","","C1CCC2(CC1)C(C(=O)NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)Br)N)C#N","FLXVJMMEHYRKEO-UHFFFAOYSA-N","396187",NA,"PDBC52954","701735","Present"
-"STK860480","","","","","","","","","","","","","","","","","","","","STK860480","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CC4=CC=C(C=C4)Cl)C#N","JGSVYPQYYKAXJW-OQLLNIDSSA-N","5469256",NA,"PDBC52955","684968","Present"
-"STK863043","","","","","","","","","","","","","","","","","","","","STK863043","","C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC5=CC=CC=C5S4","JPPWEIAVDSSHIT-UHFFFAOYSA-N","395991",NA,"PDBC52956","701115","Present"
-"STK864616","","","","","","","","","","","","","","","","","","","","STK864616","","COC1=C(C=C(C=C1)C2CC(=NN2)C3=C(C4=CC=CC=C4C=C3)O)OC","VKFDUDUPVUIVOZ-UHFFFAOYSA-N","390441",NA,"PDBC52957","687795","Present"
-"STK865620","","","","","","","","","","","","","","","","","","","","STK865620","","C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)NN=CC4=CN=CC=C4","RSFGPHAYVGOZNX-RQZCQDPDSA-N","5771686",NA,"PDBC52958","361672","Present"
-"STK865746","","","","","","","","","","","","","","","","","","","","STK865746","","CCOC(=O)CN1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31","OFIDORUTRSFBQN-UHFFFAOYSA-N","394883",NA,"PDBC52959","698974","Present"
-"STK870541","","","","","","","","","","","","","","","","","","","","STK870541","","C1=CC=C(C(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)F","ZBFXKXFADLCTFZ-ZROIWOOFSA-N","680816",NA,"PDBC52960","634475","Present"
-"STK871317","","","","","","","","","","","","","","","","","","","","STK871317","","CC1=CC(=NC(=N1)NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C","PRBHAYTUAONZLV-UHFFFAOYSA-N","3139687",NA,"PDBC52961","641446","Present"
-"STK871398","","","","","","","","","","","","","","","","","","","","STK871398","","C1CC2(NC3=CC=CC=C3N2C1=O)C4=CC=CC=C4","IIXONMQPWUMMAB-UHFFFAOYSA-N","368710",NA,"PDBC52962","639847","Present"
-"STK873996","","","","","","","","","","","","","","","","","","","","STK873996","","C1=CC=C(C=C1)C2=NC(=CC3=CC=CS3)C(=O)O2","YWWRMWAWBUHZAY-FMIVXFBMSA-N","1549752",NA,"PDBC52963","157354","Present"
-"STK877442","","","","","","","","","","","","","","","","","","","","STK877442","","COC1=C(C=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)O","SSUJVYSOEKAFBV-UHFFFAOYSA-N","54679390",NA,"PDBC52964","686392","Present"
-"STK878624","","","","","","","","","","","","","","","","","","","","STK878624","","C1=CC=C(C(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)[N+](=O)[O-]","YGDCSUPYSNHRJH-ZROIWOOFSA-N","830841",NA,"PDBC52965","633959","Present"
-"STK881210","","","","","","","","","","","","","","","","","","","","STK881210","","COC1=CC=C(C=C1)C=CC2=NC(=S)NN2","SWKAJZUQUXPLLN-QPJJXVBHSA-N","5388279",NA,"PDBC52966","634474","Present"
-"STK889268","","","","","","","","","","","","","","","","","","","","STK889268","","CC1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C)C4=CC=C(C=C4)Cl","OIQJDCCKLRKESC-QGOAFFKASA-N","6016840",NA,"PDBC52967","737017","Present"
-"STK897790","","","","","","","","","","","","","","","","","","","","STK897790","","CN(C)C1=CC=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3","PXSHBCNEBGRJPO-UHFFFAOYSA-N","365172",NA,"PDBC52968","632382","Present"
-"STK917867","","","","","","","","","","","","","","","","","","","","STK917867","","CN(C)CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O","AZFCDSPUTDVZDH-UHFFFAOYSA-N","149903",NA,"PDBC52969","748432","Present"
-"STK917962","","","","","","","","","","","","","","","","","","","","STK917962","","CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)OC)O2","SPRSMBIGWRQSGU-MFOYZWKCSA-N","1644229",NA,"PDBC52970","657013","Present"
-"STK922248","","","","","","","","","","","","","","","","","","","","STK922248","","C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC=CC=C3N","ADHXCTPQZSNIAI-UHFFFAOYSA-N","358819",NA,"PDBC52971","618888","Present"
-"STK923230","","","","","","","","","","","","","","","","","","","","STK923230","","CN(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O","XWVDODMZYGXNEU-SXGWCWSVSA-N","1523065",NA,"PDBC52972","657011","Present"
-"STK947914","","","","","","","","","","","","","","","","","","","","STK947914","","C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)Br)O)[N+](=O)[O-]","XHZDNQZFBMGLTO-UHFFFAOYSA-N","4563026",NA,"PDBC52973","649165","Present"
-"STK953612","","","","","","","","","","","","","","","","","","","","STK953612","","CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5=CC=C(C=C5)Cl)C#N","RLSHIPMJOSPBCL-UHFFFAOYSA-N","380602",NA,"PDBC52974","666277","Present"
-"STK953613","","","","","","","","","","","","","","","","","","","","STK953613","","CC1=CC=C(C=C1)N2CCC3=C2N4C5=CC=CC=C5N=C4C(=C3C)C#N","GTIRMXNUAWBMSE-UHFFFAOYSA-N","380604",NA,"PDBC52975","666279","Present"
-"STK953622","","","","","","","","","","","","","","","","","","","","STK953622","","CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4CCC5=CC(=C(C=C5)OC)OC)C#N","QKTROTCJGIVMQM-UHFFFAOYSA-N","380607",NA,"PDBC52976","666282","Present"
-"STK953642","","","","","","","","","","","","","","","","","","","","STK953642","","CCCCCCN1CCC2=C1N3C4=CC=CC=C4N=C3C(=C2C)C#N","JZIPWWRAFZJKNC-UHFFFAOYSA-N","380605",NA,"PDBC52977","666280","Present"
-"STK956843","","","","","","","","","","","","","","","","","","","","STK956843","","CC1=CC=C(C=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4C(=CC(=N4)C)C","IYQLAMIKDXTRMQ-OEAKJJBVSA-N","9629800",NA,"PDBC52978","750639","Present"
-"STK979731","","","","","","","","","","","","","","","","","","","","STK979731","","C1=CC(=C(C=C1Cl)Cl)OCC(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-]","QGAPJHGYXYHYAL-RFFZPADBSA-N","9572559",NA,"PDBC52979","720236","Present"
-"STK993185","","","","","","","","","","","","","","","","","","","","STK993185","","CC1=NN(C(=O)C1=C(SC)SC)C2=CC=CC=C2","WXQFUMIOXWCQJV-UHFFFAOYSA-N","390309",NA,"PDBC52980","687601","Present"
-"STK993537","","","","","","","","","","","","","","","","","","","","STK993537","","CC1=CC=C(C=C1)C=C2CCS(=O)(=O)C3=CC=CC=C3C2=O","LCTSWQAHSZYQOF-NTCAYCPXSA-N","5938081",NA,"PDBC52981","691557","Present"
-"STL016940","","","","","","","","","","","","","","","","","","","","STL016940","","C1=CC=NC(=C1)NC2=NC(=CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]","ULQUMRVXJWEDFK-UHFFFAOYSA-N","367869",NA,"PDBC52982","638035","Present"
-"STL019769","","","","","","","","","","","","","","","","","","","","STL019769","","C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl","CCMSAWHHMHLLHC-UHFFFAOYSA-N","366132",NA,"PDBC52983","634419","Present"
-"STL020394","","","","","","","","","","","","","","","","","","","","STL020394","","CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C","BIJWKKGGOMXGSX-UHFFFAOYSA-N","366861",NA,"PDBC52984","635840","Present"
-"STL023578","","","","","","","","","","","","","","","","","","","","STL023578","","CCOC(=O)C1=C(SC2=C1CC(CC2)C)N","USOZAPSHCJNFRA-UHFFFAOYSA-N","402542",NA,"PDBC52985","716566","Present"
-"STL044409","","","","","","","","","","","","","","","","","","","","STL044409","","C1=CC=C(C=C1)C(=CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)O","YJDDCKDPBIBXON-ZROIWOOFSA-N","135426681",NA,"PDBC52986","707053","Present"
-"STL045647","","","","","","","","","","","","","","","","","","","","STL045647","","COC1=CC=C(C=C1)C2C=C(NC3=NN=NN23)C4=CC=CC=C4","WYRNEYAZTKWHPI-UHFFFAOYSA-N","404637",NA,"PDBC52987","721065","Present"
-"STL050306","","","","","","","","","","","","","","","","","","","","STL050306","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CCC(=O)N)C(=O)O","MCEOSFLPPNZGRR-UHFFFAOYSA-N","363148",NA,"PDBC52988","627732","Present"
-"STL069639","","","","","","","","","","","","","","","","","","","","STL069639","","CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C4=CC(=C(C=C4)OC)OC","NBYYSHWZVCHIJM-UHFFFAOYSA-N","390446",NA,"PDBC52989","687800","Present"
-"STL069707","","","","","","","","","","","","","","","","","","","","STL069707","","C1=C(OC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)NC2=O","DGSJDBUSEFOXTL-UHFFFAOYSA-N","5210989",NA,"PDBC52990","645851","Present"
-"STL085378","","","","","","","","","","","","","","","","","","","","STL085378","","C1=CC=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=N3","VRQQCBVFRIKJDL-UHFFFAOYSA-N","395961",NA,"PDBC52991","701085","Present"
-"STL115764","","","","","","","","","","","","","","","","","","","","STL115764","","C1CCC2(CC1)C(C(=O)N3CCSC3=C2C#N)C#N","GGSWTWGDZHIJTB-UHFFFAOYSA-N","396186",NA,"PDBC52992","701734","Present"
-"STL115792","","","","","","","","","","","","","","","","","","","","STL115792","","COC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O","JTORYCJGTIZNQS-MHWRWJLKSA-N","5469260",NA,"PDBC52993","684983","Present"
-"STL115795","","","","","","","","","","","","","","","","","","","","STL115795","","C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O","JUBIEYVDBZOHNL-MHWRWJLKSA-N","5469255",NA,"PDBC52994","684967","Present"
-"STL115798","","","","","","","","","","","","","","","","","","","","STL115798","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CC4=CC=C(C=C4)F)C#N","QWECBUMJIXTOGY-OQLLNIDSSA-N","5469262",NA,"PDBC52995","684985","Present"
-"STL123886","","","","","","","","","","","","","","","","","","","","STL123886","","C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl","JKOLYFQYUYNLGQ-UHFFFAOYSA-N","375288",NA,"PDBC52996","654805","Present"
-"STL135952","","","","","","","","","","","","","","","","","","","","STL135952","","C1=CC=C(C=C1)N2C3=C(C(=O)NC(=S)N3)SC2=S","VNBOMQWABBZKEZ-UHFFFAOYSA-N","3004397",NA,"PDBC52997","650588","Present"
-"STL141036","","","","","","","","","","","","","","","","","","","","STL141036","","CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CSC4=N3)O","XDNHQDLQOFFCCW-UHFFFAOYSA-N","5470856",NA,"PDBC52998","705896","Present"
-"STL145325","","","","","","","","","","","","","","","","","","","","STL145325","","C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=NC5=CC=CC=C5F","LIXXXCZHBUTYLW-UHFFFAOYSA-N","400036",NA,"PDBC52999","711222","Present"
-"STL147558","","","","","","","","","","","","","","","","","","","","STL147558","","C1=CC(=CC2=C(NC(=S)NC2=O)O)N=C1","KPHGEZLPBSUOJG-SNAWJCMRSA-N","135499231",NA,"PDBC53000","645852","Present"
-"STL151178","","","","","","","","","","","","","","","","","","","","STL151178","","C1=CC=C(C=C1)C(=CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O","STBHFUGEKVMJSL-DHDCSXOGSA-N","135403094",NA,"PDBC53001","682582","Present"
-"STL157724","","","","","","","","","","","","","","","","","","","","STL157724","","C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NNC4=S","BBOIHUVLVRRIDB-UHFFFAOYSA-N","2363240",NA,"PDBC53002","666359","Present"
-"STL163607","","","","","","","","","","","","","","","","","","","","STL163607","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4C(=O)N3","LSTGGMRIDCOATB-UHFFFAOYSA-N","135454375",NA,"PDBC53003","684977","Present"
-"STL169589","","","","","","","","","","","","","","","","","","","","STL169589","","C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]","YGBTUCBJPTYOKK-UHFFFAOYSA-N","380437",NA,"PDBC53004","665960","Present"
-"STL170800","","","","","","","","","","","","","","","","","","","","STL170800","","C1=C(SC(=C1)Br)C=C2C(=O)NC(=S)N2","QYPWTJFZSHMSHJ-HYXAFXHYSA-N","5468923",NA,"PDBC53005","679236","Present"
-"STL173755","","","","","","","","","","","","","","","","","","","","STL173755","","CC1=CC(=C(C(=O)O1)C(=NNC(=O)C2=CC=CC=C2O)C)O","SBZOHJIAHKMQJG-CXUHLZMHSA-N","135483936",NA,"PDBC53006","635342","Present"
-"STL174301","","","","","","","","","","","","","","","","","","","","STL174301","","CCSC1=NC(=S)N(C(=C1C(=O)C)C)C2=CC=CC=C2","HSYLQPSFIPXJIF-UHFFFAOYSA-N","392982",NA,"PDBC53007","694224","Present"
-"STL182001","","","","","","","","","","","","","","","","","","","","STL182001","","CC1=CC=CC=C1NC(=S)N=NC2=C(NC3=CC=CC=C32)O","BGVRRYMGWCWTRE-UHFFFAOYSA-N","2169056",NA,"PDBC53008","668500","Present"
-"STL192071","","","","","","","","","","","","","","","","","","","","STL192071","","CC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2O)C","UURALUILAZJMAY-CSKARUKUSA-N","5805594",NA,"PDBC53009","636986","Present"
-"STL193422","","","","","","","","","","","","","","","","","","","","STL193422","","C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C6=CC=C(C=C6)Cl","RKSVAMZXEHUASG-UHFFFAOYSA-N","380431",NA,"PDBC53010","665954","Present"
-"STL193423","","","","","","","","","","","","","","","","","","","","STL193423","","C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C6=CC=CC=C6F","TXFVMSUBINNSBV-UHFFFAOYSA-N","380432",NA,"PDBC53011","665955","Present"
-"STL221392","","","","","","","","","","","","","","","","","","","","STL221392","","C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C6=CC=CS6","CQNMCASGAWPODH-UHFFFAOYSA-N","380434",NA,"PDBC53012","665957","Present"
-"STL226052","","","","","","","","","","","","","","","","","","","","STL226052","","CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCOCC4","DBUOOZDIFIQTDM-UHFFFAOYSA-N","375024",NA,"PDBC53013","653850","Present"
-"STL231636","","","","","","","","","","","","","","","","","","","","STL231636","","C1=CN=CC=C1C=C2C(=O)NC(=O)N2","JFEGQPTZCCZRSJ-FNORWQNLSA-N","5467670",NA,"PDBC53014","657721","Present"
-"STL234804","","","","","","","","","","","","","","","","","","","","STL234804","","COC1(C2(C3=C(CCC3)NC(C2(C(=N1)N)C#N)C4=CC=CC=C4)C#N)OC","KJCNTJWPQJELGD-UHFFFAOYSA-N","394332",NA,"PDBC53015","697701","Present"
-"STL253119","","","","","","","","","","","","","","","","","","","","STL253119","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC=CC3=CC=CC=C3","CUIJFGBJFDLIGS-XXNYPEFKSA-N","1550644",NA,"PDBC53016","717365","Present"
-"STL257912","","","","","","","","","","","","","","","","","","","","STL257912","","C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC=C(O3)[N+](=O)[O-]","NYANUJCLKSCNMT-NTUHNPAUSA-N","9572306",NA,"PDBC53017","710916","Present"
-"STL258993","","","","","","","","","","","","","","","","","","","","STL258993","","C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)Cl)Cl","GYSLQVDXCNSXJS-CXUHLZMHSA-N","5350114",NA,"PDBC53018","623222","Present"
-"STL263939","","","","","","","","","","","","","","","","","","","","STL263939","","CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","PQKKAHBPYRVGDV-UHFFFAOYSA-N","375283",NA,"PDBC53019","654800","Present"
-"STL263940","","","","","","","","","","","","","","","","","","","","STL263940","","CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","OMLIGEGEEIZZAX-UHFFFAOYSA-N","375285",NA,"PDBC53020","654802","Present"
-"STL264933","","","","","","","","","","","","","","","","","","","","STL264933","","C1C(=NN2C(=NN=C2S1)COC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4","FRYJFBBCGRBCDL-UHFFFAOYSA-N","364167",NA,"PDBC53021","629867","Present"
-"STL267082","","","","","","","","","","","","","","","","","","","","STL267082","","CC1=CC=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C","UXLZJWUGMCFOQG-UHFFFAOYSA-N","1342047",NA,"PDBC53022","693337","Present"
-"STL281370","","","","","","","","","","","","","","","","","","","","STL281370","","CCOC(=O)CC1=CSC2=NCCN12","IWXSEVRNVJJFOY-UHFFFAOYSA-N","365869",NA,"PDBC53023","633944","Present"
-"STL282496","","","","","","","","","","","","","","","","","","","","STL282496","","CC1=CC=C(C=C1)CC2=NC(=S)NN2","YLKFBMUHZZLZOT-UHFFFAOYSA-N","3005252",NA,"PDBC53024","686975","Present"
-"STL282765","","","","","","","","","","","","","","","","","","","","STL282765","","C1C(=NN2C(=NN=C2S1)COC3=CC=CC=C3)C4=CC=CC=C4","OGBLILIOLBZJAL-UHFFFAOYSA-N","364166",NA,"PDBC53025","629866","Present"
-"STL293636","","","","","","","","","","","","","","","","","","","","STL293636","","C1=CC=C(C=C1)C2=CSC(=N2)N=CC3=CC=CC=C3O","LFUVACDYVZZJCD-LICLKQGHSA-N","135468241",NA,"PDBC53026","256904","Present"
-"STL297538","","","","","","","","","","","","","","","","","","","","STL297538","","C1=CC=NC(=C1)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=N","AQOXYQPGTRAERF-UHFFFAOYSA-N","395958",NA,"PDBC53027","701082","Present"
-"STL298324","","","","","","","","","","","","","","","","","","","","STL298324","","CC(=O)CC1(C(C(=C(O1)N)C#N)(C#N)C#N)C","BZYUZQMPIVNRAG-UHFFFAOYSA-N","387795",NA,"PDBC53028","681867","Present"
-"STL298328","","","","","","","","","","","","","","","","","","","","STL298328","","CC1(CC2(C(C1(C(=N)O2)C#N)(C#N)C#N)C)C","PERGIMFAIDAJHC-UHFFFAOYSA-N","387753",NA,"PDBC53029","681782","Present"
-"STL298547","","","","","","","","","","","","","","","","","","","","STL298547","","CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N=NN(C)C)CC3CO3","ZAGBBAZLBVIKEV-CCEZHUSRSA-N","5469136",NA,"PDBC53030","683603","Present"
-"STL298582","","","","","","","","","","","","","","","","","","","","STL298582","","C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=CC=CC=C6OC5=O","NYWZORGKOTVQOJ-UHFFFAOYSA-N","384963",NA,"PDBC53031","675793","Present"
-"STL301188","","","","","","","","","","","","","","","","","","","","STL301188","","C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=C(C(=O)NC4=O)F","UMCZCTVLNYHIEM-UHFFFAOYSA-N","387540",NA,"PDBC53032","681450","Present"
-"STL303914","","","","","","","","","","","","","","","","","","","","STL303914","","CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4","OCQBPPDGVADKGE-UHFFFAOYSA-N","365884",NA,"PDBC53033","633961","Present"
-"STL320963","","","","","","","","","","","","","","","","","","","","STL320963","","CN(C)N1C(CC(C1=C(C#N)C#N)C2=CC=CC=C2)C#N","AMENDCIFUITQOR-UHFFFAOYSA-N","387788",NA,"PDBC53034","681860","Present"
-"STL320978","","","","","","","","","","","","","","","","","","","","STL320978","","C1=CC=C(C=C1)C(=CC(=O)C(=O)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O","GQNQUENYEQAHKJ-ZROIWOOFSA-N","5470452",NA,"PDBC53035","702012","Present"
-"STL321271","","","","","","","","","","","","","","","","","","","","STL321271","","C1CC2=NO[N+](=C2C3=NON=C31)[O-]","RXNVQNJDGIDUQO-UHFFFAOYSA-N","379423",NA,"PDBC53036","663965","Present"
-"STL321281","","","","","","","","","","","","","","","","","","","","STL321281","","COC1(CCCC2=[N+](ON=C21)[O-])OC","FTCXPFRAZMKWRS-UHFFFAOYSA-N","379418",NA,"PDBC53037","663960","Present"
-"STL321592","","","","","","","","","","","","","","","","","","","","STL321592","","C1=CC=C(C(=C1)N2N=C3C=CC4=NON=C4C3=N2)O","KIACNIKPMWVBNY-UHFFFAOYSA-N","382090",NA,"PDBC53038","669449","Present"
-"STL321689","","","","","","","","","","","","","","","","","","","","STL321689","","C1C(=C(C2(C1(C(=C(C2)C=O)N)C#N)C#N)N)C=O","QHFQDPOTWPBWAH-UHFFFAOYSA-N","387758",NA,"PDBC53039","681787","Present"
-"STL321802","","","","","","","","","","","","","","","","","","","","STL321802","","CC1CC2C(C1(C(=N)O2)C#N)(C#N)C#N","LVPLGJCWQLAVSY-UHFFFAOYSA-N","387791",NA,"PDBC53040","681863","Present"
-"STL321831","","","","","","","","","","","","","","","","","","","","STL321831","","CC1CC(=NN(C)C)C2(C1(C(N=C2N)(OC)OC)C#N)C#N","BUIQTGWZFUSRJP-VXLYETTFSA-N","9571540",NA,"PDBC53041","681862","Present"
-"STL322405","","","","","","","","","","","","","","","","","","","","STL322405","","CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)C)OCC","ZYEKTXIDNGLXRD-UHFFFAOYSA-N","383654",NA,"PDBC53042","672072","Present"
-"STL322739","","","","","","","","","","","","","","","","","","","","STL322739","","CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C)NC(=O)C2=CC(=CC=C2)Cl","RSOOEDHQKJLZDR-UHFFFAOYSA-N","389138",NA,"PDBC53043","684823","Present"
-"STL322846","","","","","","","","","","","","","","","","","","","","STL322846","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=CC=C1OC","WZXXNPYPOLXNDD-UHFFFAOYSA-N","383676",NA,"PDBC53044","672094","Present"
-"STL322861","","","","","","","","","","","","","","","","","","","","STL322861","","CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)C(=O)C","JTISWPYCZLQYRM-UHFFFAOYSA-N","374422",NA,"PDBC53045","652133","Present"
-"STL323004","","","","","","","","","","","","","","","","","","","","STL323004","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)C","VDIPNGWREPJZLR-UHFFFAOYSA-N","383681",NA,"PDBC53046","672099","Present"
-"STL323035","","","","","","","","","","","","","","","","","","","","STL323035","","CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)Cl)OC","FVWDIFJPYUFGTJ-UHFFFAOYSA-N","383655",NA,"PDBC53047","672073","Present"
-"STL323365","","","","","","","","","","","","","","","","","","","","STL323365","","C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N","LIVKPUJDLLFZJG-UHFFFAOYSA-N","399615",NA,"PDBC53048","710524","Present"
-"STL323390","","","","","","","","","","","","","","","","","","","","STL323390","","CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)O","XJGCSIWHKDCZPK-UHFFFAOYSA-N","54680427",NA,"PDBC53049","675791","Present"
-"STL323673","","","","","","","","","","","","","","","","","","","","STL323673","","CC(C)OP(=O)(C1=NN(C(=N)S1)C2=CC=C(C=C2)[N+](=O)[O-])OC(C)C","XFHJNLBQXZWIHV-UHFFFAOYSA-N","374418",NA,"PDBC53050","652129","Present"
-"STL323771","","","","","","","","","","","","","","","","","","","","STL323771","","C1C(S1)CN2C3=CC=CC=C3N(C2=O)CC4CS4","BLQKTHPAQXWWSX-UHFFFAOYSA-N","374921",NA,"PDBC53051","653506","Present"
-"STL324241","","","","","","","","","","","","","","","","","","","","STL324241","","COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CSC(=N3)C4=CC=CC=C4","VQCUKZRPXAZGDX-UHFFFAOYSA-N","389238",NA,"PDBC53052","684991","Present"
-"STL325708","","","","","","","","","","","","","","","","","","","","STL325708","","C1=CC=C(C=C1)C=NN2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CC=C3","AUBYSFDBSAOOQJ-BRJLIKDPSA-N","9556239",NA,"PDBC53053","681761","Present"
-"STL325798","","","","","","","","","","","","","","","","","","","","STL325798","","CC1(C2CCC1(C(C2)NC(=O)CCN3CCOCC3)C)C","YXXRVERJCNRUEY-UHFFFAOYSA-N","376004",NA,"PDBC53054","656384","Present"
-"STL325954","","","","","","","","","","","","","","","","","","","","STL325954","","CCOC(=O)CC(=O)NC1CC2CCC1(C2(C)C)C","DSJMNWFFCQVCOJ-UHFFFAOYSA-N","379928",NA,"PDBC53055","665120","Present"
-"STL325962","","","","","","","","","","","","","","","","","","","","STL325962","","C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=C(C6=CC=CC=C6NC5=O)O","WANQKVAYNIWVHC-UHFFFAOYSA-N","54680426",NA,"PDBC53056","675790","Present"
-"STL327174","","","","","","","","","","","","","","","","","","","","STL327174","","C1=CC(=C(C(=C1)Cl)CN2C=C(C(=O)N(C2=O)CC3=C(C=CC=C3Cl)Cl)F)Cl","HZHUEKUZQLHQCE-UHFFFAOYSA-N","386256",NA,"PDBC53057","677999","Present"
-"STL328796","","","","","","","","","","","","","","","","","","","","STL328796","","COC1=CC=C(C=C1)NC2=CNC(=O)NC2=O","REQUYQKTHSNJBA-UHFFFAOYSA-N","248922",NA,"PDBC53058","66580","Present"
-"STL328821","","","","","","","","","","","","","","","","","","","","STL328821","","COC(=O)C1=CC=C(O1)CC2=CC=C(O2)C(=O)OC","YBJWZTFYWFFRFR-UHFFFAOYSA-N","372639",NA,"PDBC53059","648093","Present"
-"STL333334","","","","","","","","","","","","","","","","","","","","STL333334","","CC(C)C(N(C)C(=NC#N)N)P(=O)(OC(C)C)OC(C)C","SSMBDQQPDWPTGO-UHFFFAOYSA-N","385501",NA,"PDBC53060","676750","Present"
-"STL333343","","","","","","","","","","","","","","","","","","","","STL333343","","CC1(OCC(CO1)(CO)CO)C","RECJHOHNSXVBQN-UHFFFAOYSA-N","373708",NA,"PDBC53061","650609","Present"
-"STL334553","","","","","","","","","","","","","","","","","","","","STL334553","","C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","NSXJBTFGLJLMOV-FYWRMAATSA-N","1617552",NA,"PDBC53062","673150","Present"
-"STL335698","","","","","","","","","","","","","","","","","","","","STL335698","","CN1C2=CC=CC=C2N=C1C(=CC3=CC=C(C=C3)N(C)C)C#N","QNTMIOYOSPBKQS-NTCAYCPXSA-N","5710552",NA,"PDBC53063","748512","Present"
-"STL337664","","","","","","","","","","","","","","","","","","","","STL337664","","C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)N)NC4=CC=C(C=C4)S(=O)(=O)N","BHEUWDZRNPUSFW-UHFFFAOYSA-N","389569",NA,"PDBC53064","685876","Present"
-"STL337682","","","","","","","","","","","","","","","","","","","","STL337682","","CN(C)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O","OHBURKFGNGOZIM-UHFFFAOYSA-N","389244",NA,"PDBC53065","684997","Present"
-"STL337688","","","","","","","","","","","","","","","","","","","","STL337688","","COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O","APJJFRKDEMKDHS-UHFFFAOYSA-N","389240",NA,"PDBC53066","684993","Present"
-"STL338661","","","","","","","","","","","","","","","","","","","","STL338661","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=NC=CN3C4=NC5=CC=CC=C5N=C24)N","HYXKTHDUWYMDRJ-UHFFFAOYSA-N","375028",NA,"PDBC53067","653854","Present"
-"STL338719","","","","","","","","","","","","","","","","","","","","STL338719","","CN1C2=CC=CC=C2N3C1=C(C(=O)C4=C3N=CC=C4)C#N","GNPMESIGMJRUQB-UHFFFAOYSA-N","393017",NA,"PDBC53068","694265","Present"
-"STL344638","","","","","","","","","","","","","","","","","","","","STL344638","","CC1=CC=C(C=C1)C(=CC(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)O","RLGOWIDYKKKRCH-NVMNQCDNSA-N","5465662",NA,"PDBC53069","658712","Present"
-"STL347560","","","","","","","","","","","","","","","","","","","","STL347560","","C1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=CC=CC=C3C2=O)[O-])[N+]4=CC=CC(=C4)C(=O)N","SJQDUPTVSJZANT-UHFFFAOYSA-N","54694509",NA,"PDBC53070","685896","Present"
-"STL349468","","","","","","","","","","","","","","","","","","","","STL349468","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NNC(=S)N3N","SMTDLWAHPPQDJO-UHFFFAOYSA-N","2783973",NA,"PDBC53071","635422","Present"
-"STL352912","","","","","","","","","","","","","","","","","","","","STL352912","","COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=NC=C3","QGXSXPVCFLKHQV-UHFFFAOYSA-N","380227",NA,"PDBC53072","665703","Present"
-"STL353017","","","","","","","","","","","","","","","","","","","","STL353017","","C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)CC#N","WNOYVVGSHNVEQK-UHFFFAOYSA-N","389225",NA,"PDBC53073","684978","Present"
-"STL356502","","","","","","","","","","","","","","","","","","","","STL356502","","C1=CC=C(C=C1)CC(=O)N=NC2=C(NC3=CC=CC=C32)O","ODEGIZBDYBJTTG-UHFFFAOYSA-N","388108",NA,"PDBC53074","682573","Present"
-"STL360951","","","","","","","","","","","","","","","","","","","","STL360951","","CN(C)C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O","RZVDFFDMRTUESQ-GZTJUZNOSA-N","5469261",NA,"PDBC53075","684984","Present"
-"STL365451","","","","","","","","","","","","","","","","","","","","STL365451","","CSC1=NN=C(O1)COC2=CC=C(C=C2)Cl","LSCBKEVFJYSLPM-UHFFFAOYSA-N","366517",NA,"PDBC53076","635126","Present"
-"STL386325","","","","","","","","","","","","","","","","","","","","STL386325","","CCOC(=O)CSC1=NC(=C(C(=O)N1)C#N)C2=CC=CC=C2","XXDPYJIHUCJSEF-UHFFFAOYSA-N","135439528",NA,"PDBC53077","686030","Present"
-"STL389460","","","","","","","","","","","","","","","","","","","","STL389460","","CC1(CC2=C(C(=O)C1)C(=NN2)N)C","JMIRWOXRWVCQDR-UHFFFAOYSA-N","389857",NA,"PDBC53078","686488","Present"
-"STL417727","","","","","","","","","","","","","","","","","","","","STL417727","","CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)OC","XXAPLSBTEZZRIL-UHFFFAOYSA-N","375274",NA,"PDBC53079","654791","Present"
-"STL417734","","","","","","","","","","","","","","","","","","","","STL417734","","CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)OC","PTDRVHHAGXUUMZ-UHFFFAOYSA-N","375275",NA,"PDBC53080","654792","Present"
-"STL417757","","","","","","","","","","","","","","","","","","","","STL417757","","CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C","AWMUBGWJMIIPNL-UHFFFAOYSA-N","375271",NA,"PDBC53081","654788","Present"
-"STL421264","","","","","","","","","","","","","","","","","","","","STL421264","","CC(=O)N1C(OC(C2=CC=CC=C21)(C)C)C(Cl)(Cl)Cl","OEFAUGUOGQAXKE-UHFFFAOYSA-N","397599",NA,"PDBC53082","705940","Present"
-"STL433604","","","","","","","","","","","","","","","","","","","","STL433604","","COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC","WOJJYHZSZSSQJL-BQYQJAHWSA-N","6145900",NA,"PDBC53083","96356","Present"
-"STL434863","","","","","","","","","","","","","","","","","","","","STL434863","","C#CC1(C(OC(C1O)N2C=CC(=O)NC2=O)CO)O","KNGMLOFYXFWJLZ-UHFFFAOYSA-N","394348",NA,"PDBC53084","697730","Present"
-"STL435531","","","","","","","","","","","","","","","","","","","","STL435531","","C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)Cl)NC4=C5C=CC(=CC5=NC=C4)Cl","CNYZIPKMSKYKGA-UHFFFAOYSA-N","396043",NA,"PDBC53085","701370","Present"
-"STL436378","","","","","","","","","","","","","","","","","","","","STL436378","","C1C(N2C3=CC=CC=C3N=C2NC1=O)C4=CC=CC=C4","LVGOOYNXKOWFLW-UHFFFAOYSA-N","388456",NA,"PDBC53086","683386","Present"
-"STL436609","","","","","","","","","","","","","","","","","","","","STL436609","","C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)NC3=CC=CC=C3","GUZBMRIUKWZKTN-UHFFFAOYSA-N","388604",NA,"PDBC53087","683612","Present"
-"STL436610","","","","","","","","","","","","","","","","","","","","STL436610","","CC1=CSC(=N1)NNC(=O)NC2=CC=CC=C2","XXWCVEGUTRGGAV-UHFFFAOYSA-N","389951",NA,"PDBC53088","686654","Present"
-"STL436619","","","","","","","","","","","","","","","","","","","","STL436619","","CNC(=O)C1=C(N=CN1)N=NN(C)N","YAISKKCLVGFVMQ-VAWYXSNFSA-N","135493931",NA,"PDBC53089","684048","Present"
-"STL436623","","","","","","","","","","","","","","","","","","","","STL436623","","CCOC(=O)C1=C(SN=N1)NC(=O)NCCCCCCN2C(=O)N(C(=O)N(C2=O)CCCCCCNC(=O)NC3=C(N=NS3)C(=O)OCC)CCCCCCNC(=O)NC4=C(N=NS4)C(=O)OCC","CSRXZUMDRCMOBG-UHFFFAOYSA-N","388839",NA,"PDBC53090","684034","Present"
-"STL436691","","","","","","","","","","","","","","","","","","","","STL436691","","C1COCCN1C2=NN3C=C(N=C3S2)C4=CC=CC=C4","VBPFWPWYXAQQLX-UHFFFAOYSA-N","388600",NA,"PDBC53091","683609","Present"
-"STL436708","","","","","","","","","","","","","","","","","","","","STL436708","","C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C(F)(F)F","ALLLYMWJRWSPIZ-UHFFFAOYSA-N","389952",NA,"PDBC53092","686655","Present"
-"STL436874","","","","","","","","","","","","","","","","","","","","STL436874","","CC1=CC=C(C=C1)N2C(=O)C(=NN2)C#N","ZGQWPHWCUZSZQM-UHFFFAOYSA-N","388582",NA,"PDBC53093","683594","Present"
-"STL436890","","","","","","","","","","","","","","","","","","","","STL436890","","C1=CC(=CC=C1N2C(=O)C(=NN2)C#N)Br","SLHWKFOMZNTFPD-UHFFFAOYSA-N","388861",NA,"PDBC53094","684055","Present"
-"STL436921","","","","","","","","","","","","","","","","","","","","STL436921","","CCOC1=NN=NC2=C1NC=N2","BCOZPDYBVYJCNR-UHFFFAOYSA-N","5466296",NA,"PDBC53095","684049","Present"
-"STL436927","","","","","","","","","","","","","","","","","","","","STL436927","","CCOC(=O)C1=C(N=CN1)N=NN(C)N","PKKQHWKRXDTZOM-VAWYXSNFSA-N","135493929",NA,"PDBC53096","684044","Present"
-"STL437892","","","","","","","","","","","","","","","","","","","","STL437892","","CN1C(=C(C(=N1)N)N=NC2=CC=C(C=C2)OC)N","NWQQBZKPONFZBT-UHFFFAOYSA-N","228622",NA,"PDBC53097","21681","Present"
-"STL437902","","","","","","","","","","","","","","","","","","","","STL437902","","CC1=CC=C(C=C1)N=NC2=C(N(N=C2N)C3=CC=CC=C3)N","LQUJINAWYUSZNG-UHFFFAOYSA-N","228624",NA,"PDBC53098","21683","Present"
-"STL445768","","","","","","","","","","","","","","","","","","","","STL445768","","CN(C)N=NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC","JKXDSDLQMLPPKS-UHFFFAOYSA-N","388611",NA,"PDBC53099","683619","Present"
-"STL445833","","","","","","","","","","","","","","","","","","","","STL445833","","CC1=CC(=NN1C2=NC(=CS2)C)C","JEFRVCKLXOOWNK-UHFFFAOYSA-N","388857",NA,"PDBC53100","684051","Present"
-"STL445932","","","","","","","","","","","","","","","","","","","","STL445932","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N=O","GHSGEDJZTQNMRM-UHFFFAOYSA-N","388851",NA,"PDBC53101","684045","Present"
-"STL446444","","","","","","","","","","","","","","","","","","","","STL446444","","CC1=CC(=C(C=C1)C2=NNC(=C2)C3=CC(=NN3)C4=C(C=C(C=C4)C)C)C","XJIUXIJADCKFIU-UHFFFAOYSA-N","398009",NA,"PDBC53102","707081","Present"
-"STL453064","","","","","","","","","","","","","","","","","","","","STL453064","","C1COCCOC2=C(C=C(C=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)OCCOCCO1","ZDQFHECIPZVTJG-UHFFFAOYSA-N","376524",NA,"PDBC53103","657483","Present"
-"STL455155","","","","","","","","","","","","","","","","","","","","STL455155","","C1=CC=C(C(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)O","HOTBCGMFEULSFG-ZROIWOOFSA-N","683298",NA,"PDBC53104","634479","Present"
-"STL485501","","","","","","","","","","","","","","","","","","","","STL485501","","CCOC(=O)C1=C(SN=N1)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4=C(N=NS4)C(=O)OCC","JMILYTJKJYXVML-UHFFFAOYSA-N","388614",NA,"PDBC53105","683621","Present"
-"STL487843","","","","","","","","","","","","","","","","","","","","STL487843","","CC(=O)NC1=CC=CC(=C1)C2=CC(N3C(=NC=N3)N2)C4=CC(=C(C(=C4)OC)OC)OC","VMSJHPMZOGNWCG-UHFFFAOYSA-N","5164236",NA,"PDBC53106","745693","Present"
-"STL488753","","","","","","","","","","","","","","","","","","","","STL488753","","CCCCN(C1=CC=CC=C1)C2=NC=NC3=C2C=NN3C","YPXCQEIIUYVWPW-UHFFFAOYSA-N","223744",NA,"PDBC53107","11656","Present"
-"STL495941","","","","","","","","","","","","","","","","","","","","STL495941","","C1C(C2=C(NC1=O)N=C(NC2=O)N)C3=CC=CC=C3","UUGDEEFHTZJKDE-UHFFFAOYSA-N","135407295",NA,"PDBC53108","696471","Present"
-"STL503275","","","","","","","","","","","","","","","","","","","","STL503275","","CN(C)C1=NC2=NON=C2N=C1NC3=CC=CC=C3","JXIQPNJBGBTEOW-UHFFFAOYSA-N","394428",NA,"PDBC53109","697880","Present"
-"STL503934","","","","","","","","","","","","","","","","","","","","STL503934","","CCOC(=O)C1=CC=C(C=C1)N=C2C(=CC3=C(O2)C=CC(=C3)OC)C4=NC5=CC=CC=C5N4","CCYIGQNCLXTSGT-UHFFFAOYSA-N","400037",NA,"PDBC53110","711223","Present"
-"STL505784","","","","","","","","","","","","","","","","","","","","STL505784","","COC(=O)CSC1=NNC(=N1)C2=CC=CC=C2","UQDLUZLOSOQAKN-UHFFFAOYSA-N","362215",NA,"PDBC53111","625818","Present"
-"STL507546","","","","","","","","","","","","","","","","","","","","STL507546","","C1=C2C(=C(C(=C1[N+](=O)[O-])N(CCO)CCO)[N+](=O)[O-])NC(=O)N2","YKTFOXDSBGSDCM-UHFFFAOYSA-N","5471898",NA,"PDBC53112","715220","Present"
-"STL507958","","","","","","","","","","","","","","","","","","","","STL507958","","CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O","VIDPPAQOCSVKGA-UHFFFAOYSA-N","362210",NA,"PDBC53113","625811","Present"
-"STL516976","","","","","","","","","","","","","","","","","","","","STL516976","","C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)NCCO","IMQKBAGAPSFKOB-UHFFFAOYSA-N","364145",NA,"PDBC53114","629815","Present"
-"STL517193","","","","","","","","","","","","","","","","","","","","STL517193","","CN(CC1=C(C(=O)C=C(O1)CO)O)CC(=O)O","SBEZLLAIJPHZIH-UHFFFAOYSA-N","271326",NA,"PDBC53115","114831","Present"
-"STL523755","","","","","","","","","","","","","","","","","","","","STL523755","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C5=CN=CC=C5","CXCKDYOPDOUJTL-UHFFFAOYSA-N","334956",NA,"PDBC53116","342610","Present"
-"STL523890","","","","","","","","","","","","","","","","","","","","STL523890","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=CC=CO5","ZPFUGHSCVQWWBR-UHFFFAOYSA-N","334472",NA,"PDBC53117","339703","Present"
-"STL525987","","","","","","","","","","","","","","","","","","","","STL525987","","COC(=O)C1CC2C(N1C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4","AKYNJSOECBBYGA-NJAFHUGGSA-N","385402",NA,"PDBC53118","676577","Present"
-"STL526428","","","","","","","","","","","","","","","","","","","","STL526428","","COC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=CNC4=CC=CC=C43","IJEFRJDBAXYOIS-UHFFFAOYSA-N","381738",NA,"PDBC53119","668598","Present"
-"STL552707","","","","","","","","","","","","","","","","","","","","STL552707","","CC1C2CC(C1(C)C)CC(=O)N2","QWRJNGSCBGJLPO-UHFFFAOYSA-N","376012",NA,"PDBC53120","656392","Present"
-"STL553706","","","","","","","","","","","","","","","","","","","","STL553706","","C1=CC=C(C=C1)C2=NC(=CC3=CN=CC=C3)C(=O)O2","VLVHAYVBYFGEEF-LCYFTJDESA-N","1551558",NA,"PDBC53121","177881","Present"
-"STL553882","","","","","","","","","","","","","","","","","","","","STL553882","","COC1=CC(=CC(=C1O)OC)C=C2C3=CC=CC=C3NC2=O","YSERLISPSDGHNH-GHXNOFRVSA-N","2437106",NA,"PDBC53122","752702","Present"
-"STL553884","","","","","","","","","","","","","","","","","","","","STL553884","","COC1=C(C=C(C=C1)C=C2C3=CC=CC=C3NC2=O)OC","NWARFCHBQFFBGZ-LCYFTJDESA-N","727477",NA,"PDBC53123","650598","Present"
-"STL574872","","","","","","","","","","","","","","","","","","","","STL574872","","CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)OC(C)(C)C","VUYWLCHFKCFCNH-UHFFFAOYSA-N","381418",NA,"PDBC53124","668006","Present"
-"STL575361","","","","","","","","","","","","","","","","","","","","STL575361","","C1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC=NC=C4","DNDCOGGKUHMNKS-UHFFFAOYSA-N","402986",NA,"PDBC53125","717459","Present"
-"STO609","","","","","","","","","","","","","","","","","STO609","","","","","","","3467590",NA,"PDBC53126","","Absent"
-"STR04330","","","","","","","","","","","","","","","","","","","","STR04330","","C1C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O","WOSVXXBNNCUXMT-VERZDPOYSA-N","252253",NA,"PDBC53127","73712","Present"
-"STREPTIMIDONE, (+)-9-METHYL","","","","","","","","","","","","","","","","","","","","STREPTIMIDONE, (+)-9-METHYL","","CC=CC(=CC(C)C(=O)CC(CC1CC(=O)NC(=O)C1)O)C","ATUBIBZJAGAIBW-QSRWPRAKSA-N","54610820",NA,"PDBC53128","248958","Present"
-"STZSA","","","","","","","","","","","","","","","","","","","","STZSA","","C(CC(=O)O)C(=O)NC1=NN=C(S1)S(=O)(=O)N","VEHPJMWKEUDKJE-UHFFFAOYSA-N","133125",NA,"PDBC53129","698987","Present"
-"SULFONE, 2-CHLOROETHYL p-CHLOROPHENYL","","","","","","","","","","","","","","","","","","","","wln: g2swr dg","","C1=CC(=CC=C1S(=O)(=O)CCCl)Cl","KXQHTLXSDBXWNB-UHFFFAOYSA-N","27745",NA,"PDBC53130","196185","Present"
-"SW-033291","","","","","","","","","","","","","","","","","","","","SW-033291","","CCCCS(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CC=C3)C4=CC=CS4)N","LCYAYKSMOVLVRL-UHFFFAOYSA-N","3337839",NA,"PDBC53131","787269","Present"
-"SW-044248","","","","","","","","","","","","","","","","","","","","SW-044248","","CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=C(C4=CC=CC=C4N3CC)N=N2","PEVRGVRHMMZNGI-UHFFFAOYSA-N","3152990",NA,"PDBC53132","789797","Present"
-"SWNKZFSGGJUUGT-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SWNKZFSGGJUUGT-UHFFFAOYSA-N","","C[Si](C)(C)C#CCO[Si](C)(C)C","SWNKZFSGGJUUGT-UHFFFAOYSA-N","359338",NA,"PDBC53133","620124","Present"
-"SXNXKYNKWRNHMW-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","SXNXKYNKWRNHMW-UHFFFAOYSA-N","","C1CC(C1)(CO)COC2=CC(=NC(=N2)N)Cl","SXNXKYNKWRNHMW-UHFFFAOYSA-N","385279",NA,"PDBC53134","676390","Present"
-"Saffron oil","","","","","","","","","","","","","","","","","","","","crocetin","","CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O","PANKHBYNKQNAHN-JTBLXSOISA-N","6450930",NA,"PDBC53135","407300","Present"
-"Saframycin A","","","","","","","","","","","","","","","","","","","","Saframycin A","","CC1=C(C(=O)C2=C(C1=O)CC3C4C5=C(CC(N4C)C(N3C2CNC(=O)C(=O)C)C#N)C(=O)C(=C(C5=O)OC)C)OC","JNEGMBHBUAJRSX-UHFFFAOYSA-N","462199",NA,"PDBC53136","325663","Present"
-"Saframycin AR1(AH2), methycarbinol deriv.-, stereoisomer","","","","","","","","","","","","","","","","","","","","Saframycin AR1(AH2), methycarbinol deriv.-, stereoisomer","","","","",NA,"PDBC53137","652903","Present"
-"Saframycin R","","","","","","","","","","","","","","","","","","","","Saframycin R","","CC1=C(C2=C(C(N3C(C2)C4C5=C(CC(C3C#N)N4C)C(=O)C(=C(C5=O)OC)C)CNC(=O)C(=O)C)C(=C1OC)O)OC(=O)CO","OBXNNTHNWJZCST-HPGFDKJQSA-N","341380",NA,"PDBC53138","373355","Present"
-"Sakacin A","","","","","","","","","","","","","","","","","","","","Sakacin A","","CC(NC(=O)C(CC(=O)O)N)NC(=O)N(C)C(C)(C)C","ACQJWVPNGVNRCD-UHFFFAOYSA-N","382302",NA,"PDBC53139","669764","Present"
-"Sakacin P","","","","","","","","","","","","","","","","","","","","Sakacin P","","CC(C(=O)C(=O)N)NC(=O)OC(C)(C)C","VMETVXNVLXCEFC-UHFFFAOYSA-N","383827",NA,"PDBC53140","672444","Present"
-"Sakuranin","","","","","","","","","","","","","","","","","","","","Sakuranin","","COC1=CC2=C(C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C1)OC4C(C(C(C(O4)CO)O)O)O","NEPMMBQHELYZIW-UHFFFAOYSA-N","348162",NA,"PDBC53141","407308","Present"
-"Salarin A","","","","","","","","","","","","","","","","","","","","Salarin A","","CCCCCCCC(=O)OCCC=CC1C(O1)C2C(C3C(O3)CCC(=CC(=O)N(C(=O)C=CC=CC(=O)O2)C(=O)C)C)OC(=O)NC(=O)C","KQVPLNKIWHZUGZ-VFVKEPLOSA-N","24766296",NA,"PDBC53142","750153","Present"
-"Salarin C","","","","","","","","","","","","","","","","","","","","salarin C","","CCCCCCCC(=O)OCCC=CC1C(O1)C2C(C3C(O3)CCC(=CC4=NC(=C(O4)C)C=CC=CC(=O)O2)C)OC(=O)NC(=O)C","KHGGKINOQOIBEV-PRBAJBALSA-N","24867082",NA,"PDBC53143","750154","Present"
-"Salazinic acid","","","","","","","","","","","","","","","","","","","","salazic acid","","CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3CO)O)C(=O)OC4O)C=O)O","QQTKVXCQLZIJPP-UHFFFAOYSA-N","5320418",NA,"PDBC53144","87509","Present"
-"Salazosulfamide","","","","","","","","","","","","","","","","","","","","oftazol","","C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)S(=O)(=O)N","NBSRUZQXRUNPNY-UHFFFAOYSA-N","67316",NA,"PDBC53145","27236","Present"
-"Salicylaldehyde benzoyl hydrazone","","","","","","","","","","","","","","","","","","","","Sab hydrazone","","C1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2O","WKIWEDKDZPIULI-XNTDXEJSSA-N","135400584",NA,"PDBC53146","148180","Present"
-"Salicylaldehyde phenyl hydrazone","","","","","","","","","","","","","","","","","","","","Q27251898","","C1=CC=C(C=C1)NN=CC2=CC=CC=C2O","SERARPRVBWDEBA-UVTDQMKNSA-N","135460273",NA,"PDBC53147","68558","Present"
-"Salicylaldehyde, (5-nitro-2-pyridyl)hydrazone","","","","","","","","","","","","","","","","","","","","LS-144130","","C1=CC=C(C(=C1)C=NNC2=NC=C(C=C2)[N+](=O)[O-])O","WBHPJBOSCFRQFT-VGOFMYFVSA-N","135538374",NA,"PDBC53148","42428","Present"
-"Salicylaldehyde, semicarbazone","","","","","","","","","","","","","","","","","","","","o-Hydroxybenzaldehyde semicarbazone","","C1=CC=C(C(=C1)C=NNC(=O)N)O","IZXDQSKCOWSUOG-BJMVGYQFSA-N","135466838",NA,"PDBC53149","1604","Present"
-"Salicylamide, 5-chloro-N-(3-hydroxypropyl)-","","","","","","","","","","","","","","","","","","","","Salicylamide, 5-chloro-N-(3-hydroxypropyl)-","","C1=CC(=C(C=C1Cl)C(=O)NCCCO)O","ZLTAZLVRBUEHDS-UHFFFAOYSA-N","245913",NA,"PDBC53150","58329","Present"
-"Salicylanilide, 3'-chloro-5-[(2-chloro-4-nitrophenyl)azo]-","","","","","","","","","","","","","","","","","","","","salicylanilide, 3'-chloro-5-[(2-chloro-4-nitrophenyl)azo]-","","C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)O","GDXQTBCVFFUYAF-UHFFFAOYSA-N","282274",NA,"PDBC53151","135618","Present"
-"Salicylanilide, 4'-chloro-3-nitro-","","","","","","","","","","","","","","","","","","","","wln: wnr bq cvmr dg","","C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC=C(C=C2)Cl","UOHLBUBEMXVTMQ-UHFFFAOYSA-N","80982",NA,"PDBC53152","22899","Present"
-"Salicylanilide, 4'-chloro-5-nitro-","","","","","","","","","","","","","","","","","","","","wln: wnr dq cvmr dg","","C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)Cl","CDYKTFABNOULII-UHFFFAOYSA-N","80981",NA,"PDBC53153","27097","Present"
-"Salicylic acid propargylester","","","","","","","","","","","","","","","","","","","","Salicylic acid propargylester","","C#CCOC(=O)C1=CC=CC=C1O","OOHHZKNXGNWUHN-UHFFFAOYSA-N","390924",NA,"PDBC53154","689145","Present"
-"Salicylidene salicylhydrazide","","","","","","","","","","","","","","","","","","","","salicyl n-salicylidenehydrazide","","C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2O)O","OMCYEZUIYGPHDJ-OQLLNIDSSA-N","135445765",NA,"PDBC53155","87864","Present"
-"Salicyluric acid","","","","","","","","","","","","","","","","","","","","salicyluric acid","","C1=CC=C(C(=C1)C(=O)NCC(=O)O)O","ONJSZLXSECQROL-UHFFFAOYSA-N","10253",NA,"PDBC53156","87566","Present"
-"Salinomycin sodium salt hydrate","","","","","","","","","","","","","","","","","","","","salinomycin","","CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O.[Na+]","YPZYGIQXBGHDBH-MDCHIEGPSA-N","60147550",NA,"PDBC53157","751548","Present"
-"Salirasib","","","","","","","","","","","","","","","","","","","","NSC685986///Salirasib","","CC(=CCCC(=CCCC(=CCSC1=CC=CC=C1C(=O)O)C)C)C","WUILNKCFCLNXOK-CFBAGHHKSA-N","5469318",NA,"PDBC53158","685986///755771","Present"
-"Salmeterol","","","","","","","","","","","","","","","","","","","Salmeterol","","","C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O","GIIZNNXWQWCKIB-UHFFFAOYSA-N","5152",NA,"PDBC53159","","Absent"
-"Salpichrolide A","","","","","","","","","","","","","","","","","","","","Salpichrolide A","","CC(C1CC2(C(O2)(C(O1)O)C)C)C3=CC4=C(C=C3)C5CC6C7(O6)CC=CC(=O)C7(C5CC4)C","CPHPTFZOHUSPRV-RVTAUAKJSA-N","6712055",NA,"PDBC53160","654207","Present"
-"Salvilenone","","","","","","","","","","","","","","","","","","","","Salvilenone","","CC1=C2C=CC3=C4C2=C(C=C1)C(=O)C(=C4OC3(C)C)C(C)C","WDBJFWOOWQREKA-UHFFFAOYSA-N","389885",NA,"PDBC53161","686514","Present"
-"Samarcandin","","","","","","","","","","","","","","","","","","","","Samarcandin","","CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C","WNANPKYNOALKIV-IIWYAODKSA-N","5459231",NA,"PDBC53162","655153","Present"
-"Samarium(III) Ionophore II","","","","","","","","","","","","","","","","","","","","[1,2,3,4]Tetrathiocino[5,6-d:7,8-d']diimidazole- 2,9-dit...","","CCN1C2=C(N(C1=S)CC)SSSSC3=C2N(C(=S)N3CC)CC","UCISCPCNYYIDSW-UHFFFAOYSA-N","365480",NA,"PDBC53163","633113","Present"
-"Samioside","","","","","","","","","","","","","","","","","","","","Samioside","","CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)OC5C(C(CO5)(CO)O)O","MYTQIOQLRFFFEC-QPJJXVBHSA-N","45027867",NA,"PDBC53164","729652","Present"
-"Sancycline hydrochloride","","","","","","","","","","","","","","","","","","","","bonomycin","","CN(C)C1C2CC3CC4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O.Cl","CIJFGLCHAOVWRZ-QKYUADJBSA-N","54712662",NA,"PDBC53165","51812","Present"
-"Sandoricin","","","","","","","","","","","","","","","","","","","","Sandoricin","","CC(=O)OC1CC2C(=C)C3(C1(C(OC(=O)C3O)C4=COC=C4)C)OC5C2(C(C(C(C5)OC(=O)C)(C)C)CC(=O)OC)C","FPZCLGWPFTXULY-BPCKSTTASA-N","360416",NA,"PDBC53166","622491","Present"
-"Sangivamycin hydrochloride","","","","","","","","","","","","","","","","","","","","Sangivamycin Hydrochloride","","C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)N.Cl","WTSGTUMQZSEZIW-UHFFFAOYSA-N","5351239",NA,"PDBC53167","143648","Present"
-"Sangivamycin, 6-aminothio-","","","","","","","","","","","","","","","","","","","","Sangivamycin, 6-aminothio-","","C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)N)C(=S)N)N","HPCAEYRDTFITHI-UHFFFAOYSA-N","4033014",NA,"PDBC53168","180525","Present"
-"Sanguilutine pseudobase","","","","","","","","","","","","","","","","","","","","Sanguilutine pseudobase","","CN1C2=C(C=CC3=CC(=C(C=C32)OC)OC)C4=C(C1=O)C(=C(C=C4OC)OC)OC","MPXWNNCONPUOGM-UHFFFAOYSA-N","371258",NA,"PDBC53169","645317","Present"
-"Sanguinarine, 8CI)","","","","","","","","","","","","","","","","","","","","Sanguinarine nitrate","","CN1C=C2C(=C3C1=C4C=C5C(=CC4C=C3)OCO5)C=CC6=C2OCO6.[N+](=O)(O)O","VSJBSQHXURXHMK-UHFFFAOYSA-N","6332031",NA,"PDBC53170","59270","Present"
-"Santalin","","","","","","","","","","","","","","","","","","","","SANTALIN","","COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)CCCC3)O","KZHZAOMCJXXGII-UHFFFAOYSA-N","246331",NA,"PDBC53171","59267","Present"
-"Santowhite","","","","","","","","","","","","","","","","","","","","swp (van)","","CCCC(C1=CC(=C(C=C1C)O)C(C)(C)C)C2=CC(=C(C=C2C)O)C(C)(C)C","PFANXOISJYKQRP-UHFFFAOYSA-N","6815",NA,"PDBC53172","67485","Present"
-"Sapacitabine","","","","","","","","","","","","","","","","","","","","Sapacitabine","","CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)C#N","LBGFKUUHOPIEMA-PEARBKPGSA-N","153970",NA,"PDBC53173","791785","Present"
-"Sapindoside A","","","","","","","","","","","","","","","","","","","","sapindoside a","","CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O","KEOITPILCOILGM-UHFFFAOYSA-N","267360",NA,"PDBC53174","106553","Present"
-"Saponaceolide A","","","","","","","","","","","","","","","","","","","","Saponaceolide A","","CC1(C(CCC(=C)C1CC=C2C(COC2=O)O)CCC3CCC4(C5(CCC(O4)(C(O5)(C)C)O)C)OC3)C","XBFKDCJZZMKUOR-AYGNAITBSA-N","54601989",NA,"PDBC53175","624482","Present"
-"Saponaceolide B","","","","","","","","","","","","","","","","","","","","Saponaceolide B","","CC1(C(CCC(=C)C1CC=C2CCOC2=O)CCC3CCC4(C5(CCC(O4)(C(O5)(C)C)O)C)OC3)C","SCWVCRCOVNDPJB-REYSLUJISA-N","5468843",NA,"PDBC53176","677576","Present"
-"Saprothoquinone","","","","","","","","","","","","","","","","","","","","Saprothoquinone","","CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)CCC=C(C)C","FWJDKZSXXFWHPR-UHFFFAOYSA-N","372741",NA,"PDBC53177","648341","Present"
-"Sarcodonin","","","","","","","","","","","","","","","","","","","","Sarcodonin","","CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)O)O)C(C)CC)[O-])O","ULLCSSTZNGODKE-KRNPDVCNSA-N","404538",NA,"PDBC53178","720786","Present"
-"Sarcodonin alpha","","","","","","","","","","","","","","","","","","","","Sarcodonin alpha","","CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)O)O)O)C(C)CC)[O-])O","ZRUOGCKQVBXKOD-RUDWDYDBSA-N","404540",NA,"PDBC53179","720788","Present"
-"Sarcodonin peracetate","","","","","","","","","","","","","","","","","","","","sarcodonin peracetate","","CCC(C)C1=C([N+]2(C(C(=O)N1OC(=O)C)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)OC(=O)C)OC(=O)C)C(C)CC)[O-])OC(=O)C","XJNAEQGZDXDILG-LNGGRNHPSA-N","404981",NA,"PDBC53180","721621","Present"
-"Sarcorucinine A","","","","","","","","","","","","","","","","","","","","Sarcorucinine A","","CC(C1=CC=C2C1(CCC3C2CCC4C3(CCC(C4)N(C)C)C)C)N(C)C=O","RDMXTBHNRSLEKA-BXWAMVFZSA-N","374413",NA,"PDBC53181","652123","Present"
-"Sarcovagine c","","","","","","","","","","","","","","","","","","","","Sarcovagine c","","CC=C(C)C(=O)NC1CCC2(C(C1OC(=O)C)CCC3C2CCC4(C3CCC4C(C)N(C)C)C)C","PYRZUULULPXFOM-JYCZEJBLSA-N","54612864",NA,"PDBC53182","748914","Present"
-"Sarcoviolin","","","","","","","","","","","","","","","","","","","","sarcoviolin","","CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=O)C(=C(C4=O)O)C5=CC=C(C=C5)O)O)C(C)CC)[O-])O","HEXAABFDZKPMQT-UHFFFAOYSA-N","24202820",NA,"PDBC53183","726045","Present"
-"Saridegib","","","","","","","","","","","","","","","","","","","","Saridegib","","CC1CC2C(C(C3(O2)CCC4C5CCC6CC(CCC6(C5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1","HZLFFNCLTRVYJG-HKTDDREISA-N","25033029",NA,"PDBC53184","767123","Present"
-"Sarkomycin, sodium salt","","","","","","","","","","","","","","","","","","","","Sarkomycin","","C=C1C(CCC1=O)C(=O)O.[Na+]","NNMFPNTZRUUSQZ-UHFFFAOYSA-N","24182187",NA,"PDBC53185","14347","Present"
-"Sarmustine","","","","","","","","","","","","","","","","","","","","SarCNU","","CN(CC(=O)N)C(=O)N(CCCl)N=O","HYHJFNXFVPGMBI-UHFFFAOYSA-N","100773",NA,"PDBC53186","364432","Present"
-"Sarnovid","","","","","","","","","","","","","","","","","","","","Sarnovid","","CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC)O","SOPZOCCINHAAOP-UHFFFAOYSA-N","276294",NA,"PDBC53187","123977","Present"
-"Sarothrin","","","","","","","","","","","","","","","","","","","","Sarothrin","","COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC)O","KHZSFBNUQVEEQR-UHFFFAOYSA-N","5386960",NA,"PDBC53188","618931","Present"
-"Sarracenin","","","","","","","","","","","","","","","","","","","","Sarracenin","","CC1C2C3CC(O1)OC2OC=C3C(=O)OC","QGBCGMGBGAHJIT-UHFFFAOYSA-N","427877",NA,"PDBC53189","224069","Present"
-"Sarveroside","","","","","","","","","","","","","","","","","","","","Sarveroside","","","","",NA,"PDBC53190","123978","Present"
-"Saz VII 23","","","","","","","","","","","","","","","","","","","","NSC644246","","CC(C)N1CC2CC(C1)CN(C2)C(=O)C3=CC=CC=C3.OCl(=O)(=O)=O","NUYPCKIZNDHNFG-UHFFFAOYSA-N","195816",NA,"PDBC53191","644246","Present"
-"Saz-VII-22","","","","","","","","","","","","","","","","","","","","Saz-VII-22","","CC(C)N1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)Cl","FTABKDGWKNKXQJ-UHFFFAOYSA-N","195596",NA,"PDBC53192","644247","Present"
-"Scarlet Red Sulfonate","","","","","","","","","","","","","","","","","","","","scarlet red sulfonate","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)N=NC4=CC=CC=C4S(=O)(=O)O)S(=O)(=O)O)O","RYUPVRNBWXCXBA-UHFFFAOYSA-N","407917",NA,"PDBC53193","10469","Present"
-"Scarlet red","","","","","","","","","","","","","","","","","","","","rubren","","CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O)C","RCTGMCJBQGBLKT-UHFFFAOYSA-N","62330",NA,"PDBC53194","10472","Present"
-"Sceptrin","","","","","","","","","","","","","","","","","","","","Sceptrin","","C1=C(NC=C1Br)C(=O)NCC2C(C(C2C3=CN=C(N3)N)C4=CN=C(N4)N)CNC(=O)C5=CC(=CN5)Br.Cl","HOHLZEDCMZEBPO-SZENRMOTSA-N","360197",NA,"PDBC53195","622170","Present"
-"Schembl20574369","","","","","","","","","","","","","","","","","","","","(E)-8-Methoxy-3-(3-(2-methoxyphenyl)-3-oxoprop-1-enyl)qu...","","COC1=CC=CC=C1C(=O)C=CC2=CC3=C(C(=CC=C3)OC)NC2=O","KMTXOHJJHMCMLQ-ZHACJKMWSA-N","137350559",NA,"PDBC53196","795903","Present"
-"Schembl20586431","","","","","","","","","","","","","","","","","","","","NSC801133","","COC1=C(C=C(C(=C1)C=CC2=CC(=NN2C3=CC(=CC(=C3)F)F)C=CC4=CC(=C(C=C4F)OC)OC)F)OC","PYGGQQZLYOFPGZ-KQQUZDAGSA-N","137360892",NA,"PDBC53197","801133","Present"
-"Schembl20631599","","","","","","","","","","","","","","","","","","","","5-(2,2,2-Trifluoroethoxy)pyrimidine-2,4(1H,3H)-dione","","C1=C(C(=O)NC(=O)N1)OCC(F)(F)F","VBTUWUDVMCGFAN-UHFFFAOYSA-N","371637",NA,"PDBC53198","646088","Present"
-"Schembl20746235","","","","","","","","","","","","","","","","","","","","NSC797958","","CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)F","HKRJQAWVZVZAKO-IZZDOVSWSA-N","137501911",NA,"PDBC53199","797958","Present"
-"Schembl20746339","","","","","","","","","","","","","","","","","","","","NSC797955","","CC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)C=CC(=O)C3=NC=CN3","WXBFSVTYICHNKY-DHZHZOJOSA-N","137501989",NA,"PDBC53200","797955","Present"
-"Schembl20746446","","","","","","","","","","","","","","","","","","","","NSC794232","","CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=CC=C3","WRJXVUYQZZABAO-VAWYXSNFSA-N","137502065",NA,"PDBC53201","794232","Present"
-"Schembl20746552","","","","","","","","","","","","","","","","","","","","NSC794233","","C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)F)C=CC(=O)C3=NC=CN3","IUQKDKFEPOCKFE-BJMVGYQFSA-N","137502157",NA,"PDBC53202","794233","Present"
-"Schembl20746570","","","","","","","","","","","","","","","","","","","","NSC797961","","CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)Cl","FTBXNSPOYQZRES-IZZDOVSWSA-N","137502170",NA,"PDBC53203","797961","Present"
-"Schembl20746574","","","","","","","","","","","","","","","","","","","","NSC797954","","C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)Cl)C=CC(=O)C3=NC=CN3","AZLFDESNKRNLNL-BJMVGYQFSA-N","137502174",NA,"PDBC53204","797954","Present"
-"Schembl20754505","","","","","","","","","","","","","","","","","","","","NSC800930","","CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C(F)(F)F","UWZDFNXYHHTVHT-IZZDOVSWSA-N","137509661",NA,"PDBC53205","800930","Present"
-"Schembl20754516","","","","","","","","","","","","","","","","","","","","NSC797959","","CCN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)F","JDTOIYFZNWRLRJ-KPKJPENVSA-N","137509672",NA,"PDBC53206","797959","Present"
-"Schembl20754522","","","","","","","","","","","","","","","","","","","","NSC797957","","C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)C(F)(F)F)C=CC(=O)C3=NC=CN3","PEBBUGGLQZBBDH-BJMVGYQFSA-N","137509678",NA,"PDBC53207","797957","Present"
-"Schembl20944829","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-5,11-dioxo-6-(2-N-morpholine-1-ethyl)-11H-in...","","C1COCCN1CCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53","CGSUBDZRYWWWBC-UHFFFAOYSA-N","11337348",NA,"PDBC53208","725668","Present"
-"Schembl20966467","","","","","","","","","","","","","","","","","","","","[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy","","CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)O)O)O","AGCWSENOCLVBIC-UHFFFAOYSA-N","374298",NA,"PDBC53209","651827","Present"
-"Schembl20966486","","","","","","","","","","","","","","","","","","","","[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan","","CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)OC(=O)C)O)O","YKXQZVAXUGIJHK-UHFFFAOYSA-N","376248",NA,"PDBC53210","656954","Present"
-"Schembl20969775","","","","","","","","","","","","","","","","","","","","NSC766143","","C1=CC(=CC(=C1)O)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)F","YDYJBUHNTGURQT-UHFFFAOYSA-N","138607174",NA,"PDBC53211","766143","Present"
-"Schembl20969797","","","","","","","","","","","","","","","","","","","","4-methoxy-N-(2-((4-(6-phenylimidazo[2,1-b]thiazol-5-yl)p...","","COC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=CC=C5","DUAGJVFSWKNHNE-UHFFFAOYSA-N","138607196",NA,"PDBC53212","780027","Present"
-"Schembl20975496","","","","","","","","","","","","","","","","","","","","7-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-7H-pyrano[3,2-c","","C1=CC=C2C(=C1)C(=C(C(=O)O2)C3C4=C(C5=CC=CC=C5OC4=O)OC6=C3C(=O)OC7=CC=CC=C76)O","PMUHMVLTTXRCBH-UHFFFAOYSA-N","54694510",NA,"PDBC53213","686390","Present"
-"Schembl20998765","","","","","","","","","","","","","","","","","","","","NSC761584","","CC1(CN(S(=O)(=O)N1)CCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O)C","VYMHXRQVMRBRMZ-UHFFFAOYSA-N","138631879",NA,"PDBC53214","761584","Present"
-"Schembl20998777","","","","","","","","","","","","","","","","","","","","NSC755453","","C1CN(S(=O)(=O)N1CCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O)CC6=CC=CC=C6","VXPIXJUZFBUGAQ-UHFFFAOYSA-N","138631891",NA,"PDBC53215","755453","Present"
-"Schembl20998914","","","","","","","","","","","","","","","","","","","","NSC761586","","C1CNS(=O)(=O)N(C1)CCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O","DOPSOTASKNWJRT-UHFFFAOYSA-N","138632019",NA,"PDBC53216","761586","Present"
-"Schembl20998920","","","","","","","","","","","","","","","","","","","","NSC761592","","CN1CCCN(S1(=O)=O)CCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O","JGTDYVHXKFGFRC-UHFFFAOYSA-N","138632025",NA,"PDBC53217","761592","Present"
-"Schembl21152501","","","","","","","","","","","","","","","","","","","","NSC777334","","C1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F","GPNYBWLDCDZGOF-UHFFFAOYSA-N","139307690",NA,"PDBC53218","777334","Present"
-"Schembl21152541","","","","","","","","","","","","","","","","","","","","NSC755437","","CCN1CCN(S1(=O)=O)CCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O","AKNZNEHBTGLTLZ-UHFFFAOYSA-N","139307726",NA,"PDBC53219","755437","Present"
-"Schembl21200856","","","","","","","","","","","","","","","","","","","","XL-092","","CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F","JSPCKALGNNVYOO-UHFFFAOYSA-N","139350422",NA,"PDBC53220","828252","Present"
-"Schembl21296616","","","","","","","","","","","","","","","","","","","","NSC798979","","CN1CCC2(CC1)N=C(C(=N2)SCC(=O)NC3=CC4=CC=CC=C4N=C3)C5=CC=C(C=C5)Br","YDLWAILCKMRHPV-UHFFFAOYSA-N","139434794",NA,"PDBC53221","798979","Present"
-"Schembl21333199","","","","","","","","","","","","","","","","","","","","5-chloro-N-(4-methoxyphenyl)-N,1-dimethyl-1H-pyrazolo[4,...","","CN1C2=C(C=N1)N=C(N=C2N(C)C3=CC=C(C=C3)OC)Cl","OXJPJFSQXVFWIL-UHFFFAOYSA-N","139467480",NA,"PDBC53222","798522","Present"
-"Schembl21369146","","","","","","","","","","","","","","","","","","","","Pyrrole-3-carbonitrile, 2-(1-isoquinolyl)-5-phenyl-","","C1=CC=C(C=C1)C2=CC(=C(N2)C3=NC=CC4=CC=CC=C43)C#N","SDDXNUASCRUNBK-UHFFFAOYSA-N","272334",NA,"PDBC53223","116640","Present"
-"Schembl21451097","","","","","","","","","","","","","","","","","","","","TAK-931","","CC1=C(C=NN1)C2=CC3=C(S2)C(=O)NC(=N3)C4CC5CCN4CC5","XGVXKJKTISMIOW-UHFFFAOYSA-N","136603526",NA,"PDBC53224","801661","Present"
-"Schembl21460542","","","","","","","","","","","","","","","","","","","","5-chloro-{N}4-(2-furylmethyl)-{N}2-[4-(2-pyrrolidin-1-yl...","","C1CCN(C1)CCOC2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CO4)Cl","NJXWXDBUCFKSCS-UHFFFAOYSA-N","139580711",NA,"PDBC53225","802387","Present"
-"Schembl21497051","","","","","","","","","","","","","","","","","","","","t-dcyd","","C1C(C(SC1N2C=CC(=NC2=O)N)CO)O","MOMUJZRKXYLWMH-ATRFCDNQSA-N","146198784",NA,"PDBC53226","764276","Present"
-"Schembl21499084","","","","","","","","","","","","","","","","","","","","NSC771686","","COC1=CC=CC(=C1)C2=CC3=C(C=C2)C4CC3CCN4CC5=CC=CC=C5","DLPCNLBLTYEROQ-UHFFFAOYSA-N","123216592",NA,"PDBC53227","771686","Present"
-"Schembl21504532","","","","","","","","","","","","","","","","","","","","Dimethyl 4-[2-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2NO)C(=O)OC","UFZLCPVLRYCSJY-UHFFFAOYSA-N","382108",NA,"PDBC53228","669501","Present"
-"Schembl21563856","","","","","","","","","","","","","","","","","","","","NSC652937","","C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)OCC4=CC=CC=C4[N+](=O)[O-]","FBEHPMNCKUQUFR-UHFFFAOYSA-N","374745",NA,"PDBC53229","652937","Present"
-"Schembl21681302","","","","","","","","","","","","","","","","","","","","K291","","CCOC1=CC2=C(C=C1)N=C(N=C2NC3=CC=C(C=C3)C4=CNN=C4)C5=CC(=CC=C5)OCC(=O)NC(C)C","XKOYTLRGOQTKAU-UHFFFAOYSA-N","146345838",NA,"PDBC53230","783733","Present"
-"Schembl21803651","","","","","","","","","","","","","","","","","","","","3-fluoro-9-methoxy-6-(3-(piperazin-1-yl)propyl)-5H-pyrid...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCNCC5)N=C1","IDNPTPWRYDBQMT-UHFFFAOYSA-N","137635992",NA,"PDBC53231","790511","Present"
-"Schembl21803652","","","","","","","","","","","","","","","","","","","","3-fluoro-9-methoxy-6-(3-(methylamino)propyl)-5H-pyrido[3...","","CNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)F)C(=O)C4=C2N=CC(=C4)OC","BNRFZTXOBLEOGA-UHFFFAOYSA-N","137639878",NA,"PDBC53232","790512","Present"
-"Schembl21803653","","","","","","","","","","","","","","","","","","","","3-chloro-6-(3-(ethylamino)propyl)-9-methoxy-5H-pyrido[3'...","","CCNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)Cl)C(=O)C4=C2N=CC(=C4)OC","QJEVDGDCTHQUOS-UHFFFAOYSA-N","137651075",NA,"PDBC53233","789554","Present"
-"Schembl21803655","","","","","","","","","","","","","","","","","","","","6-(3-(1H-imidazol-1-yl)propyl)-3-chloro-9-methoxy-5H-pyr...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5C=CN=C5)N=C1","RHUBXYGWGVODBD-UHFFFAOYSA-N","137656446",NA,"PDBC53234","787303","Present"
-"Schembl21803658","","","","","","","","","","","","","","","","","","","","3-chloro-9-methoxy-6-(3-(piperazin-1-yl)propyl)-5H-pyrid...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCNCC5)N=C1","AXKNBHWUHFNTIR-UHFFFAOYSA-N","137644721",NA,"PDBC53235","789549","Present"
-"Schembl21803662","","","","","","","","","","","","","","","","","","","","3-chloro-9-methoxy-6-(3-morpholinopropyl)-5H-pyrido[3',2...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCOCC5)N=C1","LEUOQDXUTZNMKV-UHFFFAOYSA-N","137661166",NA,"PDBC53236","787302","Present"
-"Schembl21803664","","","","","","","","","","","","","","","","","","","","6-(3-(ethylamino)propyl)-3-fluoro-9-methoxy-5H-pyrido[3'...","","CCNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)F)C(=O)C4=C2N=CC(=C4)OC","VRXVSWVQXIEINY-UHFFFAOYSA-N","137652086",NA,"PDBC53237","790514","Present"
-"Schembl21803665","","","","","","","","","","","","","","","","","","","","3-fluoro-6-(3-(4-hydroxypiperidin-1-yl)propyl)-9-methoxy...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCC(CC5)O)N=C1","AHRFPSKABRPTCE-UHFFFAOYSA-N","137660083",NA,"PDBC53238","790516","Present"
-"Schembl21803667","","","","","","","","","","","","","","","","","","","","NSC784577","","CCNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C2N=CC(=C4)OC","AZIHKCQBIHZGQA-UHFFFAOYSA-N","137658578",NA,"PDBC53239","784577","Present"
-"Schembl21803669","","","","","","","","","","","","","","","","","","","","3-chloro-9-methoxy-6-(3-(methylamino)propyl)-5H-pyrido[3...","","CNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)Cl)C(=O)C4=C2N=CC(=C4)OC","YPQBFNDIPKXILP-UHFFFAOYSA-N","137650951",NA,"PDBC53240","789553","Present"
-"Schembl21803672","","","","","","","","","","","","","","","","","","","","NSC784576","","CC(C)NCCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C2N=CC(=C4)OC","XOJIAQZVODHKEX-UHFFFAOYSA-N","137659333",NA,"PDBC53241","784576","Present"
-"Schembl21803673","","","","","","","","","","","","","","","","","","","","3-chloro-6-(3-(isopropylamino)propyl)-9-methoxy-5H-pyrid...","","CC(C)NCCCN1C2=C(C3=C(C1=O)C=C(C=C3)Cl)C(=O)C4=C2N=CC(=C4)OC","GBNSKQWRSBCCAG-UHFFFAOYSA-N","137637372",NA,"PDBC53242","789552","Present"
-"Schembl21803674","","","","","","","","","","","","","","","","","","","","3-chloro-6-(3-(4-hydroxypiperidin-1-yl)propyl)-9-methoxy...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCC(CC5)O)N=C1","ZDQJNEIRRIUOGN-UHFFFAOYSA-N","137645346",NA,"PDBC53243","787305","Present"
-"Schembl21803676","","","","","","","","","","","","","","","","","","","","3-chloro-9-methoxy-6-(3-(4-methylpiperazin-1-yl)propyl)-...","","CN1CCN(CC1)CCCN2C3=C(C4=C(C2=O)C=C(C=C4)Cl)C(=O)C5=C3N=CC(=C5)OC","CMFCARMWWKUJKJ-UHFFFAOYSA-N","146445413",NA,"PDBC53244","789551","Present"
-"Schembl21803677","","","","","","","","","","","","","","","","","","","","6-(3-((4,5-dihydrothiazol-2-yl)amino)propyl)-3-fluoro-9-...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCNC5=NCCS5)N=C1","YRTKFQZVICPSAQ-UHFFFAOYSA-N","137635101",NA,"PDBC53245","790513","Present"
-"Schembl21803678","","","","","","","","","","","","","","","","","","","","3-chloro-9-methoxy-6-(3-(pyrrolidin-1-yl)propyl)-5H-pyri...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCCC5)N=C1","YLUNZONQAXVOSD-UHFFFAOYSA-N","137638583",NA,"PDBC53246","789550","Present"
-"Schembl21803680","","","","","","","","","","","","","","","","","","","","NSC784575","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCNCCN5CCOCC5)N=C1","VPADSKSPZOJDAY-UHFFFAOYSA-N","137645708",NA,"PDBC53247","784575","Present"
-"Schembl21803682","","","","","","","","","","","","","","","","","","","","6-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)-9-methoxy...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCN(CC5)CCO)N=C1","AFJJPPSGYUGMFF-UHFFFAOYSA-N","137643195",NA,"PDBC53248","787306","Present"
-"Schembl21803683","","","","","","","","","","","","","","","","","","","","3-fluoro-6-(3-(isopropylamino)propyl)-9-methoxy-5H-pyrid...","","CC(C)NCCCN1C2=C(C3=C(C1=O)C=C(C=C3)F)C(=O)C4=C2N=CC(=C4)OC","VGOQHXKBHKPKGX-UHFFFAOYSA-N","137646143",NA,"PDBC53249","790517","Present"
-"Schembl21803685","","","","","","","","","","","","","","","","","","","","NSC784574","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCNC5=NCCS5)N=C1","IZPXKLAPKCQKQC-UHFFFAOYSA-N","129896914",NA,"PDBC53250","784574","Present"
-"Schembl21803687","","","","","","","","","","","","","","","","","","","","3-fluoro-9-methoxy-6-(3-(pyrrolidin-1-yl)propyl)-5H-pyri...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCCC5)N=C1","JSNXSAANPIBWQQ-UHFFFAOYSA-N","137653301",NA,"PDBC53251","790515","Present"
-"Schembl21803688","","","","","","","","","","","","","","","","","","","","3-chloro-6-(3-((4,5-dihydrothiazol-2-yl)amino)propyl)-9-...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCNC5=NCCS5)N=C1","MRUNMUKFVBNTSI-UHFFFAOYSA-N","137639745",NA,"PDBC53252","787304","Present"
-"Schembl21803691","","","","","","","","","","","","","","","","","","","","7-Aza-5,6-dihydro-6-[3-(4-pyrrolidine-1-yl)propyl]-9-met...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCCC5)N=C1","IDPVANAVAHLPSG-UHFFFAOYSA-N","137645479",NA,"PDBC53253","783074","Present"
-"Schembl21803696","","","","","","","","","","","","","","","","","","","","6-(3-(1H-imidazol-1-yl)propyl)-3-fluoro-9-methoxy-5H-pyr...","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5C=CN=C5)N=C1","HYHOVKFBRXRMNX-UHFFFAOYSA-N","137652438",NA,"PDBC53254","790510","Present"
-"Schembl21803698","","","","","","","","","","","","","","","","","","","","NSC783072","","COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCNCC5)N=C1","AJWWCEIFWTXJEW-UHFFFAOYSA-N","137646560",NA,"PDBC53255","783072","Present"
-"Schembl21811226","","","","","","","","","","","","","","","","","","","","NSC800049","","C#CCOC1=CC=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CCl","GUSWAPQBWHGWLI-UHFFFAOYSA-N","146451123",NA,"PDBC53256","800049","Present"
-"Schembl21840124","","","","","","","","","","","","","","","","","","","","4,8-Iminocyclohepta[c]pyrrole-1,3,5(2H)-trione, 3a,4,8,8...","","C1=CC=C(C=C1)CN2C3C=CC(=O)C2C4C3C(=O)N(C4=O)C5=CC=CC=C5","WKEXHQLBCFZJRL-UHFFFAOYSA-N","336482",NA,"PDBC53257","351105","Present"
-"Schembl21887627","","","","","","","","","","","","","","","","","","","","NSC766701","","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)CC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N)N","SCUWNIHBUXBXKG-UHFFFAOYSA-N","1160282",NA,"PDBC53258","766701","Present"
-"Schembl21926591","","","","","","","","","","","","","","","","","","","","NSC766721","","COC1=CC(=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)O","FNGPGEHLNKUIHA-UHFFFAOYSA-N","44522111",NA,"PDBC53259","766721","Present"
-"Schembl22010135","","","","","","","","","","","","","","","","","","","","10,11-Methylenedioxy-20(S)-glycinyl camptothecin hydroch...","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)OC(=O)CN","ZCVLTIWFTLQSTM-QHCPKHFHSA-N","486155",NA,"PDBC53260","671900","Present"
-"Schembl22039120","","","","","","","","","","","","","","","","","","","","9,10-Dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol","","CC1CC2=CC(=C(C=C2C3=CC(=C(C=C3CC1C)O)O)O)O","QAIDKUGAYKKTCT-UHFFFAOYSA-N","382047",NA,"PDBC53261","669349","Present"
-"Schembl22062005","","","","","","","","","","","","","","","","","","","","SRQNSZYLZQIYMJ-UHFFFAOYSA-N","","CCOC(=O)C1=CC(=CC=C1)NN=NC2=CC=CC(=C2)C(=O)OCC","SRQNSZYLZQIYMJ-UHFFFAOYSA-N","402560",NA,"PDBC53262","716678","Present"
-"Schembl22070355","","","","","","","","","","","","","","","","","","","","NSC794583","","CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)COC(=O)C)OC(=O)N(C)CCN(C)C(=O)OC(C)(C)C","BCLBCSPLCZLQCT-NYMACZPPSA-N","146658285",NA,"PDBC53263","794583","Present"
-"Schembl22085242","","","","","","","","","","","","","","","","","","","","1-(4-(4-((1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyr...","","C1CC2CN(CC1O2)C3=NC(=NN4C3=CC=C4)C5=CC=C(C=C5)NC(=S)NCCO","GHUROFYDQUZIJT-CALCHBBNSA-N","145420445",NA,"PDBC53264","787490","Present"
-"Schembl22085251","","","","","","","","","","","","","","","","","","","","1-(2-hydroxyethyl)-3-(4-(4-morpholinopyrrolo[2,1-f][1,2,...","","C1COCCN1C2=NC(=NN3C2=CC=C3)C4=CC=C(C=C4)NC(=O)NCCO","QRZUINJXMUITFM-UHFFFAOYSA-N","145420425",NA,"PDBC53265","787491","Present"
-"Schembl22085810","","","","","","","","","","","","","","","","","","","","1-(4-(4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)phen...","","C1COCCN1C2=NC(=NN3C2=CC=C3)C4=CC=C(C=C4)NC(=O)NC5=CN=CC=C5","WPMKFGCCABCSIX-UHFFFAOYSA-N","145420560",NA,"PDBC53266","780881","Present"
-"Schembl22085812","","","","","","","","","","","","","","","","","","","","1-(4-(4-(dimethylamino)piperidine-1-carbonyl)phenyl)-3-(...","","CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NN5C=CC=C5C(=N4)N6CCOCC6","FWLCNEPGPUTNAP-UHFFFAOYSA-N","145420388",NA,"PDBC53267","780882","Present"
-"Schembl22087313","","","","","","","","","","","","","","","","","","","","1-(4-(4-methylpiperazine-1-carbonyl)phenyl)-3-(4-(4-morp...","","CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NN5C=CC=C5C(=N4)N6CCOCC6","DVTRTLVTBRMZOD-UHFFFAOYSA-N","145420532",NA,"PDBC53268","780883","Present"
-"Schembl22144814","","","","","","","","","","","","","","","","","","","","11-Phenyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one","","C1=CC=C(C=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=CC=CC=C63","KANYAAXIIQKOJM-UHFFFAOYSA-N","388735",NA,"PDBC53269","683789","Present"
-"Schembl22144815","","","","","","","","","","","","","","","","","","","","11-Thiophen-2-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one","","C1=CC=C2C(=C1)C3=C4C(=CC(=N3)C5=CC=CS5)C6=CC=CC=C6N=C4C2=O","NWHPIKBOVBKXAE-UHFFFAOYSA-N","391207",NA,"PDBC53270","690040","Present"
-"Schembl22144816","","","","","","","","","","","","","","","","","","","","11-Pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one","","C1=CC=C2C(=C1)C3=C4C(=CC(=N3)C5=CN=CC=C5)C6=CC=CC=C6N=C4C2=O","DKOYOHXCFYFCDU-UHFFFAOYSA-N","391205",NA,"PDBC53271","690038","Present"
-"Schembl22144817","","","","","","","","","","","","","","","","","","","","11-Pyridin-4-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one","","C1=CC=C2C(=C1)C3=C4C(=CC(=N3)C5=CC=NC=C5)C6=CC=CC=C6N=C4C2=O","LZKCPNRQYLJNBC-UHFFFAOYSA-N","391206",NA,"PDBC53272","690039","Present"
-"Schembl22144873","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(2-pyridi...","","C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=CC=N6","ABYZQLNEHFFRNI-UHFFFAOYSA-N","4595742",NA,"PDBC53273","686554","Present"
-"Schembl22144874","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-phenyl-","","C1=CC=C(C=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6","SCELGDCLQFOOPV-UHFFFAOYSA-N","4567749",NA,"PDBC53274","686553","Present"
-"Schembl22144875","","","","","","","","","","","","","","","","","","","","9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(3-pyridi...","","C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CN=CC=C6","VYDZVARVVUHCDM-UHFFFAOYSA-N","4532977",NA,"PDBC53275","694493","Present"
-"Schembl22144876","","","","","","","","","","","","","","","","","","","","11-Pyridin-4-yl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one","","C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=NC=C6","KBNNCUHAQAZPLK-UHFFFAOYSA-N","4261195",NA,"PDBC53276","694494","Present"
-"Schembl22170078","","","","","","","","","","","","","","","","","","","","NSC783616","","CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5","JBCUCBXPORXMQL-UHFFFAOYSA-N","153356041",NA,"PDBC53277","783616","Present"
-"Schembl22189929","","","","","","","","","","","","","","","","","","","","FT-6876","","CC1CCC2=C(N1C(=O)OC)C=CC3=C2N=C(N3C4CCCC(C4)C(=O)O)CC5=CC=CC=C5","ABNLUJMIBRFYRV-IHPCNDPISA-N","142545683",NA,"PDBC53278","828853","Present"
-"Schembl22201737","","","","","","","","","","","","","","","","","","","","NSC697491","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC","WDRFARWJPZXCTE-PMACEKPBSA-N","394209",NA,"PDBC53279","697491","Present"
-"Schembl22300877","","","","","","","","","","","","","","","","","","","","3-(3-Nitroso-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-ol","","C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=CC=N4)O)N=O","WJEDGNYIXKFWLW-UHFFFAOYSA-N","135911866",NA,"PDBC53280","745929","Present"
-"Schembl22374898","","","","","","","","","","","","","","","","","","","","NSC767829","","CC(C)C(C(=O)NC(CC1=CN(C=N1)C)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","XTYDRDGSHBFNRY-IRXDYDNUSA-N","101803826",NA,"PDBC53281","767829","Present"
-"Schembl22466793","","","","","","","","","","","","","","","","","","","","NSC803571","","C1CCC2=C(C1)C3=C4C=NNC4=CC(=C3N=C2C5=C(NN=C5)C(F)(F)F)F","QZEZKSMIUTYGRU-UHFFFAOYSA-N","153521586",NA,"PDBC53282","803571","Present"
-"Schembl22466882","","","","","","","","","","","","","","","","","","","","7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3...","","C1CCC2=C(C1)C3=C(C=CC4=C3C=NN4)N=C2C5=CC6=C(C=C5)NN=C6","BIJWVFOPLJTMGG-UHFFFAOYSA-N","142445182",NA,"PDBC53283","801416","Present"
-"Schembl22478226","","","","","","","","","","","","","","","","","","","","NSC803569","","CN1C=C(C(=N1)C(F)(F)F)C2=NC3=C(C=C4C(=C3C5=C2CCCC5)C=NN4)F","BGUDCURQYMDTDW-UHFFFAOYSA-N","155151874",NA,"PDBC53284","803569","Present"
-"Schembl22500842","","","","","","","","","","","","","","","","","","","","(4E)-4-(Thiophen-2-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one","","COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=CC=CS3)C(=O)O2","FVHYQRZMYNDQBO-FMIVXFBMSA-N","1549377",NA,"PDBC53285","318215","Present"
-"Schembl22542446","","","","","","","","","","","","","","","","","","","","3-AMINO-N-PHENYL-5,6,7,8-TETRAHYDROTHIENO(2,3-B)QUINOLIN...","","C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4)N","JRZBGFHJUKMXIK-UHFFFAOYSA-N","4575187",NA,"PDBC53286","771559","Present"
-"Schembl22542570","","","","","","","","","","","","","","","","","","","","NSC790980","","CC(C)C(CC(C1=NC(=CS1)C(=O)NC23CC(C2)(C3)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","FMJOWOJKQACYPR-RUJGCPEASA-N","142741067",NA,"PDBC53287","790980","Present"
-"Schembl22571072","","","","","","","","","","","","","","","","","","","","N'-[9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide","","CN(C)C=NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O","WDAVDBAMSKZBEN-SYZQJQIISA-N","135455588",NA,"PDBC53288","618269","Present"
-"Schembl22589699","","","","","","","","","","","","","","","","","","","","Rhodomycin A","","CCC1(CC(C2=C(C1OC3CC(C(C(O3)C)O)N(C)C)C(=C4C(=C2O)C(=O)C5=C(C4=O)C=CC=C5O)O)OC6CC(C(C(O6)C)O)N(C)C)O","NWPIUETWDSWOKV-QROLFQDOSA-N","5351236",NA,"PDBC53289","136044","Present"
-"Schembl22663672","","","","","","","","","","","","","","","","","","","","(2Z,2'Z)-4,4'-[sulfonylbis(benzene-4,1-diylimino)]bis(4-...","","C1=CC(=CC=C1NC(=O)C=CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O","NDVQFCYOAORVKK-HWAYABPNSA-N","54604947",NA,"PDBC53290","25603","Present"
-"Schembl22664609","","","","","","","","","","","","","","","","","","","","NSC784348","","C1C(C(SS1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O","UORAPQCBWYIISR-SJORKVTESA-N","152040863",NA,"PDBC53291","784348","Present"
-"Schembl22664612","","","","","","","","","","","","","","","","","","","","NSC784351","","C1C(C(SS1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O","UORAPQCBWYIISR-IAGOWNOFSA-N","152040861",NA,"PDBC53292","784351","Present"
-"Schembl22664614","","","","","","","","","","","","","","","","","","","","NSC781085","","C1C(C(SS1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O","UORAPQCBWYIISR-UHFFFAOYSA-N","152040864",NA,"PDBC53293","781085","Present"
-"Schembl22664628","","","","","","","","","","","","","","","","","","","","NSC784349","","C1C(C(SS1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O","UORAPQCBWYIISR-DLBZAZTESA-N","152040860",NA,"PDBC53294","784349","Present"
-"Schembl22664640","","","","","","","","","","","","","","","","","","","","NSC784350","","C1C(C(SS1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O","UORAPQCBWYIISR-IRXDYDNUSA-N","152040862",NA,"PDBC53295","784350","Present"
-"Schembl22729174","","","","","","","","","","","","","","","","","","","","NSC800344","","C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=CC=C5)C(F)(F)F)C(=O)OC4)CCO","NYEZJKVBGQHMLE-UHFFFAOYSA-N","148716423",NA,"PDBC53296","800344","Present"
-"Schembl22729175","","","","","","","","","","","","","","","","","","","","NSC800346","","C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC(=CC=C5)F","WLSFCCHZKQAWNE-UHFFFAOYSA-N","155351581",NA,"PDBC53297","800346","Present"
-"Schembl22729176","","","","","","","","","","","","","","","","","","","","NSC800345","","C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=CC=C5)F)C(=O)OC4)CCO","HLNATXFTCLBLRU-UHFFFAOYSA-N","155351582",NA,"PDBC53298","800345","Present"
-"Schembl22729177","","","","","","","","","","","","","","","","","","","","NSC800341","","C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC=CC(=C5)C#N)C(=O)OC4)CCO","JEUMOXLCMVZJPH-UHFFFAOYSA-N","153343597",NA,"PDBC53299","800341","Present"
-"Schembl22729178","","","","","","","","","","","","","","","","","","","","NSC800343","","C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC(=CC=C5)C(F)(F)F","XDICVMRXOSSBRR-UHFFFAOYSA-N","149193663",NA,"PDBC53300","800343","Present"
-"Schembl22729179","","","","","","","","","","","","","","","","","","","","NSC800348","","C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC(=CC=C5)C(F)(F)F)C(=O)O1","VNNGZBAINWDNGU-UHFFFAOYSA-N","155351583",NA,"PDBC53301","800348","Present"
-"Schembl22729180","","","","","","","","","","","","","","","","","","","","NSC800342","","C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC=CC(=C5)C#N)C(=O)O1","XTPOOLBYPFWZST-UHFFFAOYSA-N","149284549",NA,"PDBC53302","800342","Present"
-"Schembl22729183","","","","","","","","","","","","","","","","","","","","NSC800350","","C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC(=CC=C5)F)C(=O)O1","WVJVLSHRAJOEEW-UHFFFAOYSA-N","155351586",NA,"PDBC53303","800350","Present"
-"Schembl22729189","","","","","","","","","","","","","","","","","","","","NSC800347","","COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=CC=C4)F","ZVAWJXJYWOFLDZ-UHFFFAOYSA-N","155351591",NA,"PDBC53304","800347","Present"
-"Schembl22772358","","","","","","","","","","","","","","","","","","","","3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(3-(4-methyl-1H-i...","","CC1=CN(C=N1)C2=CC(=CC(=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","ULSOOODMFMCIIK-UHFFFAOYSA-N","155386677",NA,"PDBC53305","800578","Present"
-"Schembl22772359","","","","","","","","","","","","","","","","","","","","N-(3-((3-amino-1H-indazol-4-yl)ethynyl)phenyl)-3-(triflu...","","C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C#CC3=C4C(=CC=C3)NN=C4N","BSVDGQDTPDLQCS-UHFFFAOYSA-N","155386678",NA,"PDBC53306","794677","Present"
-"Schembl22772360","","","","","","","","","","","","","","","","","","","","3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(4-((4-ethylpiper...","","CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","XAXJKDYUXBSJJT-UHFFFAOYSA-N","155386679",NA,"PDBC53307","794678","Present"
-"Schembl22772365","","","","","","","","","","","","","","","","","","","","3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(3-((4-methylpipe...","","CN1CCN(CC1)CC2=CC(=CC(=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","QEWJRTUCCOIWLO-UHFFFAOYSA-N","155386684",NA,"PDBC53308","800580","Present"
-"Schembl22772382","","","","","","","","","","","","","","","","","","","","3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(4-(morpholinomet...","","C1COCCN1CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","GJNWPXMEFQRJIZ-UHFFFAOYSA-N","155386698",NA,"PDBC53309","796302","Present"
-"Schembl22788745","","","","","","","","","","","","","","","","","","","","N-(3-((3-amino-1H-indazol-4-yl)ethynyl)phenyl)-4-morphol...","","C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","JKZZCHSVFXZBAI-UHFFFAOYSA-N","155400340",NA,"PDBC53310","800577","Present"
-"Schembl22788769","","","","","","","","","","","","","","","","","","","","3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(3-(morpholinomet...","","C1COCCN1CC2=CC(=CC(=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","GYTPDENASJFHSZ-UHFFFAOYSA-N","155400359",NA,"PDBC53311","797904","Present"
-"Schembl22828089","","","","","","","","","","","","","","","","","","","","2-(4-Methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine","","CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=CS3)C(F)(F)F","NHWBUIULKLBZEC-UHFFFAOYSA-N","24205505",NA,"PDBC53312","736060","Present"
-"Schisanterin A","","","","","","","","","","","","","","","","","","","","schisanterin a","","CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3","UFCGDBKFOKKVAC-UHFFFAOYSA-N","332607",NA,"PDBC53313","330516","Present"
-"Schultesine","","","","","","","","","","","","","","","","","","","","Schultesine","","CC1C(C2=C(C3C1C4=C(C(O3)O)C(=O)NCC4)C(=O)NCC2)C=C","YYTINVRXAWFMDO-UHFFFAOYSA-N","362129",NA,"PDBC53314","625683","Present"
-"Scilliglaucosidin","","","","","","","","","","","","","","","","","","","","SCILLIGLAUCOSIDIN","","CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5=CC(CCC35C=O)O","XMFOZWPYGNDNKK-UHFFFAOYSA-N","281990",NA,"PDBC53315","135036","Present"
-"Scilliroside","","","","","","","","","","","","","","","","","","","","scilliroside","","CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(CC5)OC6C(C(C(C(O6)CO)O)O)O)C)O","LSMIOFMZNVEEBR-UHFFFAOYSA-N","62354",NA,"PDBC53316","7523","Present"
-"Scillirosidin, glycoside","","","","","","","","","","","","","","","","","","","","SCILLIROSIDIN, GLYCOSIDE","","CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(CC5)O)C)O","SOJXCEWHLPYBAF-UHFFFAOYSA-N","222160",NA,"PDBC53317","7534","Present"
-"Scirpene-3,4,15-triol","","","","","","","","","","","","","","","","","","","","ANGUIDINE DERIV SCIRPENTRIOL","","CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)CO","PXEBOIUZEXXBGH-GTJZFRISSA-N","320696",NA,"PDBC53318","269142","Present"
-"Scirpusin A","","","","","","","","","","","","","","","","","","","","Scirpusin A","","C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O","VJVQHVVOEFJLIO-DAFODLJHSA-N","5458896",NA,"PDBC53319","374718","Present"
-"Scopolamine, hydrobromide","","","","","","","","","","","","","","","","","","","","Aminoxyscopolamine hydrobromide","","C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)[O-].Br","MGNNYKWRWHQLCR-XWDDIHSFSA-N","5351564",NA,"PDBC53320","61807","Present"
-"Scutellaprostin A","","","","","","","","","","","","","","","","","","","","Scutellaprostin A","","COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C4=C3OC(=CC4=O)C5=CC=CC=C5)O)CO)O","FECLWLKPCOCFKF-FYYLOGMGSA-N","372735",NA,"PDBC53321","648333","Present"
-"Scutellaprostin B","","","","","","","","","","","","","","","","","","","","Scutellaprostin B","","COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O","OJUFMXZXXZASBJ-FYYLOGMGSA-N","372739",NA,"PDBC53322","648337","Present"
-"Scutellaprostin D","","","","","","","","","","","","","","","","","","","","Scutellaprostin D","","COC1C(OC2=C(O1)C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)C5=CC(=C(C=C5)O)OC","WKUUJSDDFDURKI-UKILVPOCSA-N","372738",NA,"PDBC53323","648336","Present"
-"Scutellaprostin G","","","","","","","","","","","","","","","","","","","","Scutellaprostin G","","COC1=C(C=CC(=C1)C2C(OC3=C(O2)C4=C(C=C3O)OC(=CC4=O)C5=CC=CC=C5)CO)O","ULRIJTFKMHYWQE-FYYLOGMGSA-N","5467201",NA,"PDBC53324","648335","Present"
-"Sebacic acid","","","","","","","","","","","","","","","","","","","","sebacic acid","","C(CCCCC(=O)O)CCCC(=O)O","CXMXRPHRNRROMY-UHFFFAOYSA-N","5192",NA,"PDBC53325","19492","Present"
-"Secalonen B","","","","","","","","","","","","","","","","","","","","Secalonen B","","CC1CC=C2C(=O)C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC=C6C5=O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC","BACCTQITAPHRNM-UHFFFAOYSA-N","430140",NA,"PDBC53326","268924","Present"
-"Secalonic acid","","","","","","","","","","","","","","","","","","","","secalonic acid d","","CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O","NFZJAYYORNVZNI-UHFFFAOYSA-N","423972",NA,"PDBC53327","159631","Present"
-"Secogorgosterol","","","","","","","","","","","","","","","","","","","","Secogorgosterol","","CC(C)C(C)C1(CC1C(C)C2CCC(C2(C)CCO)C3CC=C4CC(CCC4(C3=O)C)O)C","HEVOJXUNAUSRIF-BMYIKSCUSA-N","386853",NA,"PDBC53328","679587","Present"
-"Secologanin","","","","","","","","","","","","","","","","","","","","Secologanin","","COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O","CSKKDSFETGLMSB-UHFFFAOYSA-N","369002",NA,"PDBC53329","640525","Present"
-"Sedalin","","","","","","","","","","","","","","","","","","","","Acepromazine maleate","","CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.C(=CC(=O)O)C(=O)O","FQRHOOHLUYHMGG-WLHGVMLRSA-N","5476753",NA,"PDBC53330","264522","Present"
-"Sedoxantrone Trihydrochloride","","","","","","","","","","","","","","","","","","","","Sedoxantrone Trihydrochloride","","CCN(CC)CCN1C2=C3C(=C4C=CC(=O)C=C4SC3=C(C=C2)NCCN)N1.Cl","QYWZLNAKLNKCMZ-UHFFFAOYSA-N","366672",NA,"PDBC53331","635371","Present"
-"Selenanthrene","","","","","","","","","","","","","","","","","","","","Seleniumanthrene","","C1=CC=C2C(=C1)[Se]C3=CC=CC=C3[Se]2","IESITBBFRHFJKD-UHFFFAOYSA-N","136078",NA,"PDBC53332","632578","Present"
-"Selenanthrene, 2,3,7,8-tetramethoxy-","","","","","","","","","","","","","","","","","","","","2,3,6,7-Tetramethoxyseleniumanthrene","","COC1=CC2=C(C=C1OC)[Se]C3=C([Se]2)C=C(C(=C3)OC)OC","RYTMZQYCULTDRR-UHFFFAOYSA-N","365238",NA,"PDBC53333","632601","Present"
-"Selendale","","","","","","","","","","","","","","","","","","","","selendale","","O[Se](=O)O.[Na+]","OHYAUPVXSYITQV-UHFFFAOYSA-N","54601159",NA,"PDBC53334","347466","Present"
-"Seligocidin","","","","","","","","","","","","","","","","","","","","seligocidin","","CO[N+](=CC(=O)NC=CC(=O)O)[O-]","UBAVPHLFRVPRCI-HOJFPOIOSA-N","5459323",NA,"PDBC53335","88465","Present"
-"Selitrectinib","","","","","","","","","","","","","","","","","","","","LOXO-195","","CC1CCC2=C(C=C(C=N2)F)C3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1","OEBIHOVSAMBXIB-SJKOYZFVSA-N","129103609",NA,"PDBC53336","809970","Present"
-"Sellowin A","","","","","","","","","","","","","","","","","","","","Sellowin A","","CC(CO)C1C23C(O2)C4C5C(C3=CC(=O)O1)(CC6C(C5(C(=O)O4)C)O6)C","HFEAHCITXGPGJQ-BDCUKGRPSA-N","73589",NA,"PDBC53337","329488","Present"
-"Selonsertib","","","","","","","","","","","","","","","","","","","","Selonsertib","","CC1=CC(=C(C=C1N2C=C(N=C2)C3CC3)C(=O)NC4=CC=CC(=N4)C5=NN=CN5C(C)C)F","YIDDLAAKOYYGJG-UHFFFAOYSA-N","71245288",NA,"PDBC53338","797772","Present"
-"Selpercatinib","","","","","","","","","","","","","","","","","","","","LOXO-292","","CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)OC)O","XIIOFHFUYBLOLW-UHFFFAOYSA-N","134436906",NA,"PDBC53339","818434","Present"
-"Semicarbazide, 1-formyl-4-(1-naphthyl)-","","","","","","","","","","","","","","","","","","","","LS-144884","","C1=CC=C2C(=C1)C=CC=C2NC(=O)NNC=O","AILGPMRVRXMDPB-UHFFFAOYSA-N","379571",NA,"PDBC53340","664258","Present"
-"Sempervirine nitrate","","","","","","","","","","","","","","","","","","","","Sempervirine, nitrate","","C1CCC2=CN3C=CC4=C5C=CC=CC5=NC4=C3C=C2C1.[N+](=O)(O)[O-]","IECUCQNAZVURGY-UHFFFAOYSA-N","5351497",NA,"PDBC53341","21728","Present"
-"Sendanin","","","","","","","","","","","","","","","","","","","","Sendanin","","CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)O)C)O)C)O)O.[Ac].[Ac]","VSHLLLCWLQXWSP-UHFFFAOYSA-N","326834",NA,"PDBC53342","299117","Present"
-"Senecionine N-oxide","","","","","","","","","","","","","","","","","","","","senecionine n-oxide","","CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(C)O)C","PLGBHVNNYDZWGZ-GPUZEBNTSA-N","5380876",NA,"PDBC53343","106677","Present"
-"Senecioylchrysarobin","","","","","","","","","","","","","","","","","","","","Senecioylchrysarobin","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)C=C(C)C)C=CC=C3O","QNTBTRFZTVWCDZ-UHFFFAOYSA-N","124458",NA,"PDBC53344","641169","Present"
-"Sennosides","","","","","","","","","","","","","","","","","","","","sennoside a (8ci)///Sennoside B","","C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O","IPQVTOJGNYVQEO-UHFFFAOYSA-N","5199",NA,"PDBC53345","112929///112930","Present"
-"Septacidin","","","","","","","","","","","","","","","","","","","","septacidin","","CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O","YBZRLMLGUBIIDN-UHFFFAOYSA-N","494023",NA,"PDBC53346","65104","Present"
-"Sequiterpene lactone 326","","","","","","","","","","","","","","","","","","","","SEQUITERPENE LACTONE 326","","CC1CC2C(CC3(C1(CCC3=O)O)C)C(=C)C(=O)O2","JPWMRQZYTCWJHW-UHFFFAOYSA-N","338659",NA,"PDBC53347","361902","Present"
-"Serabelisib","","","","","","","","","","","","","","","","","","","","serabelisib","","C1COCCN1C(=O)C2=CN=C3N2C=C(C=C3)C4=CC5=C(C=C4)OC(=N5)N","BLGWHBSBBJNKJO-UHFFFAOYSA-N","70798655",NA,"PDBC53348","795384","Present"
-"Sertraline","","","","","","","","","","","","","","","","","","","Sertraline","","","CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl","VGKDLMBJGBXTGI-SJCJKPOMSA-N","68617",NA,"PDBC53349","","Absent"
-"Sertraline hydrochloride","","","","","","","","","","","","","","","","","","","","sertraline hydrochloride (usan)","","CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl","BLFQGGGGFNSJKA-XHXSRVRCSA-N","63009",NA,"PDBC53350","758948","Present"
-"Serylglycine","","","","","","","","","","","","","","","","","","","","L-Serylglycine","","C(C(C(=O)NCC(=O)O)N)O","WOUIMBGNEUWXQG-UHFFFAOYSA-N","136488",NA,"PDBC53351","88482","Present"
-"Sesartemin","","","","","","","","","","","","","","","","","","","","SESARTEMIN-(+)","","COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC)OC","DHWUVPPRBIJJKS-VUEDXXQZSA-N","342737",NA,"PDBC53352","380470","Present"
-"Sesbanimide","","","","","","","","","","","","","","","","","","","","SESBANIMIDE","","CC1C(=C)COC1(C2C(C(OCO2)C3CC(=O)NC(=O)C3)O)O","ULQATHQJWVNXEJ-UHFFFAOYSA-N","163490",NA,"PDBC53353","355461","Present"
-"Sesbanine","","","","","","","","","","","","","","","","","","","","Sesbanine","","C1CC2(CC1O)C3=C(C=NC=C3)C(=O)NC2=O","UETOAKFPMASNTK-JMCQJSRRSA-N","331428",NA,"PDBC53354","323780","Present"
-"Sesbanine N7-oxide","","","","","","","","","","","","","","","","","","","","SESBANIN N7-OXIDE (RACEMIC)","","C1CC2(CC1O)C3=C(C=[N+](C=C3)[O-])C(=O)NC2=O","KEVNMSQFSQVFJG-UHFFFAOYSA-N","334451",NA,"PDBC53355","339666","Present"
-"Setoglaucine","","","","","","","","","","","","","","","","","","","","setoglaucin","","CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.[Cl-]","GRPFBMKYXAYEJM-UHFFFAOYSA-M","107404",NA,"PDBC53356","83193","Present"
-"Seviteronel","","","","","","","","","","","","","","","","","","","","VT-464///S-(-)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-meth...","","CC(C)C(C1=CC2=CC(=C(C=C2C=C1)OC(F)F)OC(F)F)(C3=NNN=C3)O","ZBRAJOQFSNYJMF-SFHVURJKSA-N","78357816",NA,"PDBC53357","783294///788846","Present"
-"Shikoccin","","","","","","","","","","","","","","","","","","","","shikoccin","","CC(=O)OC1CCC2(C(C1(C)C)CC(C3=CC(CCC2=O)C(=C)C3=O)O)C","SZAHIEIJJDKFRX-UHFFFAOYSA-N","327536",NA,"PDBC53358","302979","Present"
-"Shiromodiol diacetate","","","","","","","","","","","","","","","","","","","","Shiromodiol diacetate","","CC1=CCCC2(C(O2)C(C(C(C1)OC(=O)C)C(C)C)OC(=O)C)C","DRGFRBPYLMWXJS-RUQCQGRMSA-N","13559439",NA,"PDBC53359","707626","Present"
-"Shogaol","","","","","","","","","","","","","","","","","","","","Shogaol","","CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC","OQWKEEOHDMUXEO-BQYQJAHWSA-N","5281794",NA,"PDBC53360","752389","Present"
-"Shp2-IN-6","","","","","","","","","","","","","","","","","","","","JAB-3068","","CC(=O)N1CC(C2=C1C=CC=C2SC3=NC=C(N=C3N)N4CCC5(CC4)COCC5N)(F)F","HGYTYZKWKUXRKA-MRXNPFEDSA-N","132222602",NA,"PDBC53361","827676","Present"
-"Siccamide","","","","","","","","","","","","","","","","","","","","Siccamide","","C1=CC(=CC=C1S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)Cl","AJSWHUXLZRXPJL-UHFFFAOYSA-N","202890",NA,"PDBC53362","698998","Present"
-"Silatecan","","","","","","","","","","","","","","","","","","","","AR-67","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)O)N=C4C3=C2)[Si](C)(C)C(C)(C)C)O","XUSKJHCMMWAAHV-SANMLTNESA-N","6712744",NA,"PDBC53363","708298","Present"
-"Silk Ponceau","","","","","","","","","","","","","","","","","","","","silk ponceau","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)O.[Na+]","MXZNSSKZBSDISF-UHFFFAOYSA-N","135422005",NA,"PDBC53364","45579","Present"
-"Silver Bis(NHC) Bromide","","","","","","","","","","","","","","","","","","","","Silver Bis(NHC) Bromide","","","","",NA,"PDBC53365","767019","Present"
-"Silver mesylate","","","","","","","","","","","","","","","","","","","","silver methylsulfonate","","CS(=O)(=O)O.[Ag]","GTBQRHOYAUGRPV-UHFFFAOYSA-N","6712944",NA,"PDBC53366","83223","Present"
-"Silver,6,7,7,8,8,8-heptafluoro-3,5-octanedionato-O,O')-","","","","","","","","","","","","","","","","","","","","Silver, (6,6,7,7,8,8,8-heptafluoro-3,5-octanedionato-O,O')-","","CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Ag]","AGHGGIAOTGPSQB-UHFFFAOYSA-N","425550",NA,"PDBC53367","174892","Present"
-"Silver;acetic acid;4-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]benzonitrile","","","","","","","","","","","","","","","","","","","","(1-methyl-3-(4-cyanobenzyl) benzimidazole-2-ylidene) sil...","","CC(=O)O.CN1[CH-]N(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N.[Ag+]","CUBFOUOUORWORG-UHFFFAOYSA-N","155808184",NA,"PDBC53368","757138","Present"
-"Silvestrol","","","","","","","","","","","","","","","","","","","","Silvestrol","","COC1C(OC(CO1)C(CO)O)OC2=CC3=C(C(=C2)OC)C4(C(C(C(C4(O3)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)OC)O)O","GVKXFVCXBFGBCD-QKDMMWSPSA-N","11787114",NA,"PDBC53369","783538","Present"
-"Simarubaceae","","","","","","","","","","","","","","","","","","","","glarubin","","CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(C=C5C)O)O)C)OC1=O)O)O)C)O","LZKVXMYVBSNXER-YZPKDWIXSA-N","441794",NA,"PDBC53370","14975","Present"
-"Simmondsin","","","","","","","","","","","","","","","","","","","","Simmondsin","","COC1CC(C(=CC#N)C(C1OC)O)OC2C(C(C(C(O2)CO)O)O)O","KURSRHBVYUACKS-XVNBXDOJSA-N","5383556",NA,"PDBC53371","174187","Present"
-"Singardin","","","","","","","","","","","","","","","","","","","","Singardin","","CC(=C)C1CCC23C(O2)C(CC4(CC(=O)C(O4)CC(=O)C1)C)OC(=O)C56CCC(CC(=O)CC7C(=O)CC(O7)(CC(C5O6)OC3=O)C)C(=C)C","JPXGEATUXBZSBO-VDQSPKFYSA-N","5469754",NA,"PDBC53372","692215","Present"
-"Sinulariolide","","","","","","","","","","","","","","","","","","","","Sinulariolide","","CC1=CCCC2(C(O2)CC3CCC(C(CC1)O)(OC(=O)C3=C)C)C","FONRUOAYELOHDC-AWNIVKPZSA-N","5358848",NA,"PDBC53373","285705","Present"
-"Siomycin A","","","","","","","","","","","","","","","","","","","","SIOMYCIN A","","CC=C1C2=NC(CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC4C(OC(=O)C5=NC6=C(C=CC(C6O)NC(C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(C(=O)NC7(CCC(=NC7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C2=NC(=CS2)C(=O)NC(C(=O)N1)C(C)O)C)C(C)C)C(=C5)C(C)O)C)C(C)(C(C)O)O","AKFVOKPQHFBYCA-ASKSIGGCSA-N","25200028",NA,"PDBC53374","285116","Present"
-"Sipharienolone","","","","","","","","","","","","","","","","","","","","sipharienolone","","CCCC(C)CC(C)CC(C)C=C(C)C(C(C)C(=O)CC)O","SRDHWCIRTQIMSS-UVFBNVQVSA-N","5473196",NA,"PDBC53375","724397","Present"
-"Sipholenol-A","","","","","","","","","","","","","","","","","","","","Sipholenol-A","","CC1=CCC2C(CCC2(C)O)C(C1CCC3C4(CCC(C(OC4CCC3(C)O)(C)C)O)C)(C)C","LVWWPNAIMBYRKG-KOHQYJKCSA-N","342374",NA,"PDBC53376","378977","Present"
-"Sipholenone-A","","","","","","","","","","","","","","","","","","","","Sipholenone-A","","CC1=CCC2C(CCC2(C)O)C(C1CCC3C4(CCC(=O)C(OC4CCC3(C)O)(C)C)C)(C)C","LKZQMXLIWZQEEU-KOGSSWOMSA-N","342375",NA,"PDBC53377","378978","Present"
-"Siremadlin","","","","","","","","","","","","","","","","","","","","HDM-201","","CC(C)N1C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)C4=CC(=CN(C4=O)C)Cl)N=C1C5=CN=C(N=C5OC)OC","AGBSXNCBIWWLHD-FQEVSTJZSA-N","71678098",NA,"PDBC53378","804520","Present"
-"Sirodesmin A","","","","","","","","","","","","","","","","","","","","Sirodesmin A","","CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(N(C4=O)C)(SS5)CO)O)(C)C","KTAIGLOGMSQPCG-UHFFFAOYSA-N","325517",NA,"PDBC53379","294408","Present"
-"Sisomycin sulfate","","","","","","","","","","","","","","","","","","","","sisomin","","CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O.OS(=O)(=O)O","JVTNJDPXUPRGIE-UHFFFAOYSA-N","5458403",NA,"PDBC53380","182856","Present"
-"Sitravatinib","","","","","","","","","","","","","","","","","","","","sitravatinib","","COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F","WLAVZAAODLTUSW-UHFFFAOYSA-N","25212148",NA,"PDBC53381","788203","Present"
-"Sjg-136","","","","","","","","","","","","","","","","","","","","BN-2629","","COC1=C(C=C2C(=C1)C(=O)N3CC(=C)CC3C=N2)OCCCOC4=C(C=C5C(=C4)N=CC6CC(=C)CN6C5=O)OC","RWZVMMQNDHPRQD-SFTDATJTSA-N","393111",NA,"PDBC53382","694501","Present"
-"Skullcapflavone II","","","","","","","","","","","","","","","","","","","","Skullcapflavone II","","COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O","GMQFOKBGMKVUQZ-UHFFFAOYSA-N","124211",NA,"PDBC53383","717846","Present"
-"Skyrin","","","","","","","","","","","","","","","","","","","","Skyrin","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O","MQSXZQXHIJMNAF-UHFFFAOYSA-N","73071",NA,"PDBC53384","361128","Present"
-"Snc 80","","","","","","","","","","","","","","","","","","","","Snc 80","","CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C","KQWVAUSXZDRQPZ-UMTXDNHDSA-N","123924",NA,"PDBC53385","707484","Present"
-"Sodagnitin A","","","","","","","","","","","","","","","","","","","","Sodagnitin A","","CC1(C2CCC3(C(CCC3C2(CC(C1=O)O)C)C4=CCC(OC4O)C(=C)C5=CC(=O)C(O5)(C)C)C)C","RGYVYGAQTJOSEN-OPSOQUJQSA-N","400502",NA,"PDBC53386","712400","Present"
-"Sodagnitin C","","","","","","","","","","","","","","","","","","","","Sodagnitin C","","CC1(C2CCC3(C(CCC3C2(CC(C1=O)OC(=O)CC(C)(CC(=O)O)O)C)C4=CCC(OC4O)C(=C)C5=CC(=O)C(O5)(C)C)C)C","DVUPORDGVNJPLI-MIBVFTOXSA-N","400503",NA,"PDBC53387","712401","Present"
-"Sodium .trans.-(dimethylsulfoxide)(isoquinoline)tetrachl...","","","","","","","","","","","","","","","","","","","","Sodium .trans.-(dimethylsulfoxide)(isoquinoline)tetrachl...","","","","",NA,"PDBC53388","648900","Present"
-"Sodium .trans.-(tetramethylensulfoxide)(indazole)tetra-c...","","","","","","","","","","","","","","","","","","","","Sodium .trans.-(tetramethylensulfoxide)(indazole)tetra-c...","","","","",NA,"PDBC53389","648902","Present"
-"Sodium .trans.-(tetramethylensulfoxide)(isoquinoline)tet...","","","","","","","","","","","","","","","","","","","","Sodium .trans.-(tetramethylensulfoxide)(isoquinoline)tet...","","","","",NA,"PDBC53390","648901","Present"
-"Sodium 2,2-dichloroacetic acid","","","","","","","","","","","","","","","","","","","","sodium dichloroacetate","","C(C(=O)O)(Cl)Cl.[Na+]","LUPNKHXLFSSUGS-UHFFFAOYSA-N","20189670",NA,"PDBC53391","744479","Present"
-"Sodium Picosulfate","","","","","","","","","","","","","","","","","","","","Sodium Picosulfate","","","","",NA,"PDBC53392","784227","Present"
-"Sodium arsenic tungsten polyoxymetalate, hydrate","","","","","","","","","","","","","","","","","","","","Sodium arsenic tungsten polyoxymetalate, hydrate","","","","",NA,"PDBC53393","630320","Present"
-"Sodium azotomycin","","","","","","","","","","","","","","","","","","","","azotomycin","","C(CC(=O)NC(CCC(=O)C=[N+]=N)C(=O)NC(CCC(=O)C=[N+]=N)C(=O)O)C(C(=O)O)N","ZPTLVAFRSYVZBM-UHFFFAOYSA-P","6332175",NA,"PDBC53394","56654","Present"
-"Sodium benzeneacetate","","","","","","","","","","","","","","","","","","","","SODIUM PHENYLACETATE","","C1=CC=C(C=C1)CC(=O)O.[Na+]","HZOREEUASZHZBI-UHFFFAOYSA-N","24180949",NA,"PDBC53395","3039","Present"
-"Sodium germano-.alpha.-alanine","","","","","","","","","","","","","","","","","","","","Sodium germano-.alpha.-alanine","","","","",NA,"PDBC53396","638252","Present"
-"Sodium germano-L-leucine","","","","","","","","","","","","","","","","","","","","Sodium germano-L-leucine","","","","",NA,"PDBC53397","638253","Present"
-"Sodium germano-L-tyrosine","","","","","","","","","","","","","","","","","","","","Sodium germano-L-tyrosine","","","","",NA,"PDBC53398","638255","Present"
-"Sodium germano-mercaptoacetate","","","","","","","","","","","","","","","","","","","","Sodium germano-mercaptoacetate","","","","",NA,"PDBC53399","638256","Present"
-"Sodium germano-methionine","","","","","","","","","","","","","","","","","","","","Sodium germano-methionine","","","","",NA,"PDBC53400","638254","Present"
-"Sodium tetrahydrohomopteroate","","","","","","","","","","","","","","","","","","","","Sodium tetrahydrohomopteroate","","C1C(NC2=C(N1)N=C(NC2=O)N)CCNC3=CC=C(C=C3)C(=O)O.[Na+]","UCCYYNOHYAYETG-UHFFFAOYSA-N","135534557",NA,"PDBC53401","106505","Present"
-"Sodium;(2-carboxyphenyl)sulfanyl-ethylmercury","","","","","","","","","","","","","","","","","","","","thimerosal (usan)","","CC[Hg]SC1=CC=CC=C1C(=O)O.[Na+]","RTKIYNMVFMVABJ-UHFFFAOYSA-M","22708994",NA,"PDBC53402","757340","Present"
-"Sodium;(2-heptadecyl-4,5-dihydroimidazol-1-yl)methanesulfonic acid","","","","","","","","","","","","","","","","","","","","Sodium;(2-heptadecyl-4,5-dihydroimidazol-1-yl)methanesulfonic acid","","CCCCCCCCCCCCCCCCCC1=NCCN1CS(=O)(=O)O.[Na+]","DZUMCJXJWFVBEG-UHFFFAOYSA-N","54605378",NA,"PDBC53403","35985","Present"
-"Sodium;(2R)-2-(dimethylaminomethylideneamino)-2-phenylacetic acid","","","","","","","","","","","","","","","","","","","","NSC656985","","CN(C)C=NC(C1=CC=CC=C1)C(=O)O.[Na+]","IABVQMHDTPSBRO-HNCPQSOCSA-N","54611282",NA,"PDBC53404","656985","Present"
-"Sodium;(2R)-2-[(4-bromo-2-fluorobenzoyl)amino]-3-[[(2R)-2-[(4-bromo-2-fluorobenzoyl)amino]-2-carboxyethyl]diselanyl]propanoic acid","","","","","","","","","","","","","","","","","","","","N,N?-bis(4-bromo-2-fluorobenzoyl)-L-selenocystine disodi...","","C1=CC(=C(C=C1Br)F)C(=O)NC(C[Se][Se]CC(C(=O)O)NC(=O)C2=C(C=C(C=C2)Br)F)C(=O)O.[Na+]","UOOWJUJANRPHQO-MOGJOVFKSA-N","54608950",NA,"PDBC53405","743379","Present"
-"Sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)O)C.[Na+]","SPMSNLOCMFKTHY-OEIDWAKYSA-N","54601669",NA,"PDBC53406","670773","Present"
-"Sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(E)-3-phenylprop-2-enoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(E)-3-phenylprop-2-enoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC=CC=C3)C(=O)O)C.[Na+]","GKKPXRFRSRLROZ-OVPCWUGQSA-N","54608903",NA,"PDBC53407","670768","Present"
-"Sodium;(2S,5R,6R)-6-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Sodium;(2S,5R,6R)-6-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC(=C(C=C3)OC)OC)C(=O)O)C.[Na+]","QJTIUQUTUHVGLR-YENMJTEWSA-N","54600934",NA,"PDBC53408","670772","Present"
-"Sodium;(2S,5R,6R)-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Sodium;(2S,5R,6R)-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC(=C(C=C3)O)OC)C(=O)O)C.[Na+]","RDHITCMKKSQLQJ-XBVOGPEASA-N","54608766",NA,"PDBC53409","670771","Present"
-"Sodium;(2S,5R,6R)-6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Sodium;(2S,5R,6R)-6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC=C(C=C3)OC)C(=O)O)C.[Na+]","QWEIHSYBUDLDHN-CYDQUTRQSA-N","54608577",NA,"PDBC53410","670770","Present"
-"Sodium;(2S,5R,6R)-6-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Sodium;(2S,5R,6R)-6-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid","","CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC=C(C=C3)N(C)C)C(=O)O)C.[Na+]","QUKMSPMTTQTWCT-XFUOVVGISA-N","54611284",NA,"PDBC53411","670769","Present"
-"Sodium;(3,3-dimethyl-2-oxobutyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","NSC320514","","CC(C)(C)C(=O)CP(=O)(O)O.[Na+]","WYFXIDUYGWEDOI-UHFFFAOYSA-N","54604521",NA,"PDBC53412","320514","Present"
-"Sodium;(3-acetyloxy-1,1-difluoro-4-hexadecoxybutyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","Sodium;(3-acetyloxy-1,1-difluoro-4-hexadecoxybutyl)phosphonic acid","","CCCCCCCCCCCCCCCCOCC(CC(F)(F)P(=O)(O)O)OC(=O)C.[Na+]","DIZCKGQKPIWCFM-UHFFFAOYSA-N","54611348",NA,"PDBC53413","699691","Present"
-"Sodium;(3-methyl-2-oxobutyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","NSC320310","","CC(C)C(=O)CP(=O)(O)O.[Na+]","RQDCGYQFQJKYMT-UHFFFAOYSA-N","54601833",NA,"PDBC53414","320310","Present"
-"Sodium;(3-methyloxirane-2-carbonyl)phosphonic acid","","","","","","","","","","","","","","","","","","","","NSC675008","","CC1C(O1)C(=O)P(=O)(O)O.[Na+]","YROPDTHZDHJLSO-UHFFFAOYSA-N","54608751",NA,"PDBC53415","675008","Present"
-"Sodium;(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-oxo-1H-indole-5-carboxylic acid","","","","","","","","","","","","","","","","","","","","Sodium;(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-oxo-1H-indole-5-carboxylic acid","","CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)C(=O)O)NC3=O.[Na+]","QKLJYEISGCSTSM-WXIWBVQFSA-N","54612684",NA,"PDBC53416","736792","Present"
-"Sodium;(Z)-1,4-bis(sulfosulfanyl)but-2-ene","","","","","","","","","","","","","","","","","","","","NSC624160///NSC624161","","C(C=CCSS(=O)(=O)O)SS(=O)(=O)O.[Na+]","YZRFKCVXGXUTPE-ODZAUARKSA-N","54600760",NA,"PDBC53417","624160///624161","Present"
-"Sodium;(Z)-diethylamino-hydroxyimino-oxidoazanium","","","","","","","","","","","","","","","","","","","","Sodium;(Z)-diethylamino-hydroxyimino-oxidoazanium","","CCN(CC)[N+](=NO)[O-].[Na+]","AITOFAVTGFDHHI-YJOCEBFMSA-N","23676782",NA,"PDBC53418","634614","Present"
-"Sodium;1-hydroxy-2-phenylpropane-1-sulfonic acid","","","","","","","","","","","","","","","","","","","","NSC361607","","CC(C1=CC=CC=C1)C(O)S(=O)(=O)O.[Na+]","UJXPLKFZJJTFLY-UHFFFAOYSA-N","54607755",NA,"PDBC53419","361607","Present"
-"Sodium;11-[dodecanoyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]undecanoic acid","","","","","","","","","","","","","","","","","","","","Sodium;11-[dodecanoyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]undecanoic acid","","CCCCCCCCCCCC(=O)N(CCCCCCCCCCC(=O)O)CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O.[Na+]","CQJYBJHVTWJAMY-UHFFFAOYSA-N","54608521",NA,"PDBC53420","685993","Present"
-"Sodium;11-[hexadecanoyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]undecanoic acid","","","","","","","","","","","","","","","","","","","","Sodium;11-[hexadecanoyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]undecanoic acid","","CCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCC(=O)O)CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O.[Na+]","PMWRBFCTSFNJDS-UHFFFAOYSA-N","54608522",NA,"PDBC53421","685994","Present"
-"Sodium;2,2,2-trichloroacetic acid","","","","","","","","","","","","","","","","","","","","Sodium;2,2,2-trichloroacetic acid","","C(=O)(C(Cl)(Cl)Cl)O.[Na+]","SAQSTQBVENFSKT-UHFFFAOYSA-N","23617204",NA,"PDBC53422","620576","Present"
-"Sodium;2,2,3,3,4,4,5,5-octafluorohexanedioic acid","","","","","","","","","","","","","","","","","","","","NSC51277","","C(=O)(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)O.[Na+]","PSAFGJSFLLLVFY-UHFFFAOYSA-N","54611873",NA,"PDBC53423","51277","Present"
-"Sodium;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Sodium;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate","","C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)[O-].[Na+]","AQZUAENGROAVOV-UHFFFAOYSA-M","23672878",NA,"PDBC53424","647380","Present"
-"Sodium;2-(2-amino-4-fluorophenyl)acetic acid","","","","","","","","","","","","","","","","","","","","NSC613219","","C1=CC(=C(C=C1F)N)CC(=O)O.[Na+]","BWSGYFVOAMBQRU-UHFFFAOYSA-N","54608036",NA,"PDBC53425","613219","Present"
-"Sodium;2-(2-oxopropylideneamino)acetic acid","","","","","","","","","","","","","","","","","","","","NSC310099","","CC(=O)C=NCC(=O)O.[Na+]","FDELLQNMZWSJSF-UHFFFAOYSA-N","54601878",NA,"PDBC53426","310099","Present"
-"Sodium;2-(3-nitro-4-oxoquinolin-1-yl)acetic acid","","","","","","","","","","","","","","","","","","","","NSC640665","","C1=CC=C2C(=C1)C(=O)C(=CN2CC(=O)O)[N+](=O)[O-].[Na+]","RYNXIVBDOMKIPQ-UHFFFAOYSA-N","54611340",NA,"PDBC53427","640665","Present"
-"Sodium;2-(5-nitro-4-oxoquinolin-1-yl)acetic acid","","","","","","","","","","","","","","","","","","","","NSC640666","","C1=CC2=C(C(=O)C=CN2CC(=O)O)C(=C1)[N+](=O)[O-].[Na+]","QROIGVNWDZAONM-UHFFFAOYSA-N","54611341",NA,"PDBC53428","640666","Present"
-"Sodium;2-(5-nitro-9-oxoxanthen-4-yl)acetic acid","","","","","","","","","","","","","","","","","","","","NSC639858","","C1=CC(=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)[N+](=O)[O-])CC(=O)O.[Na+]","LZRSZVGNLYLACY-UHFFFAOYSA-N","54608930",NA,"PDBC53429","639858","Present"
-"Sodium;2-(6-nitro-4-oxoquinolin-1-yl)acetic acid","","","","","","","","","","","","","","","","","","","","NSC640667","","C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CN2CC(=O)O.[Na+]","VGACBAVRFXYCTD-UHFFFAOYSA-N","54602097",NA,"PDBC53430","640667","Present"
-"Sodium;2-(7-nitro-4-oxoquinolin-1-yl)acetic acid","","","","","","","","","","","","","","","","","","","","NSC640668","","C1=CC2=C(C=C1[N+](=O)[O-])N(C=CC2=O)CC(=O)O.[Na+]","DRBPUWFYBYEFBL-UHFFFAOYSA-N","54608772",NA,"PDBC53431","640668","Present"
-"Sodium;2-[(4-aminophenyl)sulfonylamino]ethanesulfonic acid","","","","","","","","","","","","","","","","","","","","NSC28977","","C1=CC(=CC=C1N)S(=O)(=O)NCCS(=O)(=O)O.[Na+]","NTLWFAGZLGPMCS-UHFFFAOYSA-N","24183657",NA,"PDBC53432","28977","Present"
-"Sodium;2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetic acid","","","","","","","","","","","","","","","","","","","","Sodium;2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetic acid","","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCC(=O)O.[Na+]","JWWZFSVBHANRIP-JEBHESKQSA-N","135436299",NA,"PDBC53433","717839","Present"
-"Sodium;2-[dimethyl-[naphthalen-1-yl-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-ylidene)methoxy]silyl]oxyethanesulfonic acid","","","","","","","","","","","","","","","","","","","","Sodium;2-[dimethyl-[naphthalen-1-yl-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-ylidene)methoxy]silyl]oxyethanesulfonic acid","","C[Si](C)(OCCS(=O)(=O)O)OC(=C1S(=O)(=O)OCCOS1(=O)=O)C2=CC=CC3=CC=CC=C32.[Na+]","CLZUSSCFKVVGRH-UHFFFAOYSA-N","54608162",NA,"PDBC53434","679049","Present"
-"Sodium;2-[phenyl(sulfanyl)phosphinothioyl]acetic acid","","","","","","","","","","","","","","","","","","","","NSC634091","","C1=CC=C(C=C1)P(=S)(CC(=O)O)S.[Na+]","QNIPNPALOZAARG-UHFFFAOYSA-N","54608094",NA,"PDBC53435","634091","Present"
-"Sodium;2-amino-2-benzylpropanedioic acid","","","","","","","","","","","","","","","","","","","","NSC20138","","C1=CC=C(C=C1)CC(C(=O)O)(C(=O)O)N.[Na+]","JJXVUPKLIAWOSO-UHFFFAOYSA-N","24182765",NA,"PDBC53436","20138","Present"
-"Sodium;2-amino-3-tritylsulfanylpropanoic acid","","","","","","","","","","","","","","","","","","","","Sodium;2-amino-3-tritylsulfanylpropanoic acid","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N.[Na+]","YQHIGXVUIFOIMJ-UHFFFAOYSA-N","54598975",NA,"PDBC53437","124664","Present"
-"Sodium;2-chloroethoxysulfonylmethanesulfonic acid","","","","","","","","","","","","","","","","","","","","NSC634865","","C(CCl)OS(=O)(=O)CS(=O)(=O)O.[Na+]","SKFQNRCFLUFKQX-UHFFFAOYSA-N","54611429",NA,"PDBC53438","634865","Present"
-"Sodium;2-phenoxathiin-4-ylacetic acid","","","","","","","","","","","","","","","","","","","","NSC646936","","C1=CC=C2C(=C1)OC3=C(C=CC=C3S2)CC(=O)O.[Na+]","VWBUESVORPDLQN-UHFFFAOYSA-N","54598682",NA,"PDBC53439","646936","Present"
-"Sodium;3,4-bis[N-[5-(diethylamino)pentan-2-yl]-C-(3-methoxyphenyl)carbonimidoyl]pyrrol-1-ide-2,5-dione","","","","","","","","","","","","","","","","","","","","Sodium 3,4-bis[(E)-{[(2RS)-5-(diethylamino)pentan-2-yl]i...","","CCN(CC)CCCC(C)N=C(C1=CC(=CC=C1)OC)C2=C(C(=O)[N-]C2=O)C(=NC(C)CCCN(CC)CC)C3=CC(=CC=C3)OC.[Na+]","NLYGDLHBALTITI-UHFFFAOYSA-M","155814690",NA,"PDBC53440","776824","Present"
-"Sodium;3,5-dichloro-2-methoxybenzenesulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624180","","COC1=C(C=C(C=C1Cl)Cl)S(=O)O.[Na+]","GJZXXBSAJATWDC-UHFFFAOYSA-N","54608902",NA,"PDBC53441","624180","Present"
-"Sodium;3,5-dichloro-2-phenylmethoxybenzenesulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624181","","C1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)Cl)S(=O)O.[Na+]","IVPPDGCMVFRQDA-UHFFFAOYSA-N","54611740",NA,"PDBC53442","624181","Present"
-"Sodium;3,5-dichloro-4-methoxybenzenesulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624183","","COC1=C(C=C(C=C1Cl)S(=O)O)Cl.[Na+]","TUOUHMNTQZOOLY-UHFFFAOYSA-N","54608664",NA,"PDBC53443","624183","Present"
-"Sodium;3-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)propane-1-sulfonic acid","","","","","","","","","","","","","","","","","","","","Sodium;3-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)propane-1-sulfonic acid","","C1COS(=O)(=O)C(S(=O)(=O)O1)CCCS(=O)(=O)O.[Na+]","IIJGHRQKMQEGTR-UHFFFAOYSA-N","54602175",NA,"PDBC53444","674994","Present"
-"Sodium;3-(3-chloroanilino)-4-oxocyclopent-2-ene-1-sulfonic acid","","","","","","","","","","","","","","","","","","","","Sodium;3-(3-chloroanilino)-4-oxocyclopent-2-ene-1-sulfonic acid","","C1C(C=C(C1=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)O.[Na+]","JRAZTTFXAQVBBG-UHFFFAOYSA-N","54611335",NA,"PDBC53445","620078","Present"
-"Sodium;3-(3-sulfinopropyltrisulfanyl)propane-1-sulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624193","","C(CSSSCCCS(=O)O)CS(=O)O.[Na+]","AZQKXFFCVVHJQM-UHFFFAOYSA-N","54608899",NA,"PDBC53446","624193","Present"
-"Sodium;3-(phenyldisulfanyl)propane-1-sulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624196","","C1=CC=C(C=C1)SSCCCS(=O)O.[Na+]","LEPDHJAAUNTPMA-UHFFFAOYSA-N","54608712",NA,"PDBC53447","624196","Present"
-"Sodium;3-[(4-methylphenyl)disulfanyl]propane-1-sulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624195","","CC1=CC=C(C=C1)SSCCCS(=O)O.[Na+]","GLEUVLFGOQPMTP-UHFFFAOYSA-N","54607990",NA,"PDBC53448","624195","Present"
-"Sodium;3-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropanoic acid","","","","","","","","","","","","","","","","","","","","Sodium;3-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropanoic acid","","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCC(=O)O.[Na+]","BYWWYXKAUHCHQB-GDHRODDYSA-N","135436300",NA,"PDBC53449","717840","Present"
-"Sodium;3-ethoxy-3-oxo-2-(phenylmethoxycarbonylamino)propanoic acid","","","","","","","","","","","","","","","","","","","","NSC668580","","CCOC(=O)C(C(=O)O)NC(=O)OCC1=CC=CC=C1.[Na+]","DSEZUGIFEFRNCP-UHFFFAOYSA-N","54611343",NA,"PDBC53450","668580","Present"
-"Sodium;3-hydroxy-4-[(3-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid","","","","","","","","","","","","","","","","","","","","Sodium;3-hydroxy-4-[(3-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid","","C1=CC(=CC(=C1)[N+](=O)[O-])N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","FMTSPPGFFMPUCO-UHFFFAOYSA-N","135421981",NA,"PDBC53451","45541","Present"
-"Sodium;3-hydroxy-4-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid","","","","","","","","","","","","","","","","","","","","Sodium;3-hydroxy-4-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid","","C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-].[Na+]","FBGWEPGOOPUAJM-UHFFFAOYSA-N","135421980",NA,"PDBC53452","45540","Present"
-"Sodium;3-naphthalen-1-ylpropane-1-sulfonic acid","","","","","","","","","","","","","","","","","","","","NSC2737","","C1=CC=C2C(=C1)C=CC=C2CCCS(=O)(=O)O.[Na+]","ITWGEVGQNMUWNL-UHFFFAOYSA-N","24180923",NA,"PDBC53453","2737","Present"
-"Sodium;4-(2-aminoethyl)-3-nitrobenzenesulfonic acid","","","","","","","","","","","","","","","","","","","","NSC166395","","C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])CCN.[Na+]","GOMJVQHOWTYSSS-UHFFFAOYSA-N","54606873",NA,"PDBC53454","166395","Present"
-"Sodium;4-(3,4-dichlorophenyl)piperazine-1-carbodithioic acid","","","","","","","","","","","","","","","","","","","","NSC682089","","C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=S)S.[Na+]","OKSLPHJAMQPLLM-UHFFFAOYSA-N","54608754",NA,"PDBC53455","682089","Present"
-"Sodium;4-(3-chlorophenyl)piperazine-1-carbodithioic acid","","","","","","","","","","","","","","","","","","","","NSC682090","","C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)S.[Na+]","OAWOIYWOUVMNJB-UHFFFAOYSA-N","54608468",NA,"PDBC53456","682090","Present"
-"Sodium;4-(4-hydroxysulfonothioylbutyldisulfanyl)butane-1-sulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624201","","C(CCS(=O)O)CSSCCCCS(=O)(=S)O.[Na+]","ZWLSKEVDYLWQPA-UHFFFAOYSA-N","54607993",NA,"PDBC53457","624201","Present"
-"Sodium;4-(acridin-9-ylamino)benzoic acid","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-(9-acridinylamino)-, monosodium salt (9CI)","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)C(=O)O.[Na+]","ZVYRFNQEWOZDNN-UHFFFAOYSA-N","54610666",NA,"PDBC53458","235082","Present"
-"Sodium;4-[(4-methylphenyl)disulfanyl]butane-1-sulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624199","","CC1=CC=C(C=C1)SSCCCCS(=O)O.[Na+]","XQFIVRPPAAFGRS-UHFFFAOYSA-N","54607992",NA,"PDBC53459","624199","Present"
-"Sodium;4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","Sodium;4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonic acid","","CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)NC3=CC=CC=C3)(C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)O)O)N.[Na+]","OWKORNNCILLSEK-UHFFFAOYSA-N","24181124",NA,"PDBC53460","5014","Present"
-"Sodium;4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid","","","","","","","","","","","","","","","","","","","","Sodium;4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C(=O)O.[Na+]","SITJWLIOUCLBGN-FEKGNFRDSA-N","54612576",NA,"PDBC53461","651853","Present"
-"Sodium;4-[[2,3-dihydroxy-4-(4-sulfinobutyldisulfanyl)butyl]disulfanyl]butane-1-sulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624202///NSC624203","","C(CCS(=O)O)CSSCC(C(CSSCCCCS(=O)O)O)O.[Na+]","HFLNFLDMBWTADQ-UHFFFAOYSA-N","54608924",NA,"PDBC53462","624202///624203","Present"
-"Sodium;4-acetyl-1-phenylpyrrolidine-2,3,5-trione","","","","","","","","","","","","","","","","","","","","NSC657423","","CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC=CC=C2.[Na+]","SITWILPIMAUESN-UHFFFAOYSA-N","54608584",NA,"PDBC53463","657423","Present"
-"Sodium;4-amino-5-hydroxy-6-phenyldiazenylnaphthalene-1,3-disulfonic acid","","","","","","","","","","","","","","","","","","","","NSC45554","","C1=CC=C(C=C1)N=NC2=C(C3=C(C=C2)C(=CC(=C3N)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","FCNCEJUSSJYXJX-UHFFFAOYSA-N","135421990",NA,"PDBC53464","45554","Present"
-"Sodium;4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonic acid","","","","","","","","","","","","","","","","","","","","NSC606533","","CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC.[Na+]","DHSICNHNCADDDV-UHFFFAOYSA-N","54608027",NA,"PDBC53465","606533","Present"
-"Sodium;4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Sodium;4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C.[Na+]","BGYZATYJNFRQSJ-UHFFFAOYSA-N","54608750",NA,"PDBC53466","719710","Present"
-"Sodium;4-phenylpiperazine-1-carbodithioic acid","","","","","","","","","","","","","","","","","","","","NSC682088","","C1CN(CCN1C2=CC=CC=C2)C(=S)S.[Na+]","PXQBIRUINVQQKX-UHFFFAOYSA-N","54608467",NA,"PDBC53467","682088","Present"
-"Sodium;5,6-dihydroxy-7,12-dioxo-4a,12b-dihydronaphtho[2,3-f]quinoline-5,6-disulfonic acid","","","","","","","","","","","","","","","","","","","","NSC13977///NSC7576","","C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(C(C4C3C=CC=N4)(O)S(=O)(=O)O)(O)S(=O)(=O)O.[Na+]","BSLZHKNMBXIILQ-UHFFFAOYSA-N","24181285",NA,"PDBC53468","13977///7576","Present"
-"Sodium;5-(5-sulfinopentyltrisulfanyl)pentane-1-sulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624192","","C(CCSSSCCCCCS(=O)O)CCS(=O)O.[Na+]","HYBRKEGOAIMOLP-UHFFFAOYSA-N","54608711",NA,"PDBC53469","624192","Present"
-"Sodium;5-(phenyldisulfanyl)pentane-1-sulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624191","","C1=CC=C(C=C1)SSCCCCCS(=O)O.[Na+]","HYWZNACICVRUPY-UHFFFAOYSA-N","54608734",NA,"PDBC53470","624191","Present"
-"Sodium;5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid","","","","","","","","","","","","","","","","","","","","Sodium;5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid","","CC1=CC(=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)C.[Na+]","ZCJBGUAIONCVNG-UHFFFAOYSA-N","135422001",NA,"PDBC53471","45569","Present"
-"Sodium;5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid","","","","","","","","","","","","","","","","","","","","2-Naphthalenesulfonic acid, 5-[(2-hydroxy-1-naphthalenyl...","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)O.[Na+]","ZQZDZGKEAGXSSW-UHFFFAOYSA-N","135422002",NA,"PDBC53472","45576","Present"
-"Sodium;5-[(4-chlorophenyl)disulfanyl]pentane-1-sulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624194","","C1=CC(=CC=C1SSCCCCCS(=O)O)Cl.[Na+]","DVHQJIUSGRVDNH-UHFFFAOYSA-N","54611344",NA,"PDBC53473","624194","Present"
-"Sodium;5-[(4-methylphenyl)disulfanyl]pentane-1-sulfinic acid","","","","","","","","","","","","","","","","","","","","NSC624190","","CC1=CC=C(C=C1)SSCCCCCS(=O)O.[Na+]","XOEDDKMCDAJVER-UHFFFAOYSA-N","54608788",NA,"PDBC53474","624190","Present"
-"Sodium;5-[(6-methoxyquinolin-8-yl)diazenyl]quinolin-8-ol","","","","","","","","","","","","","","","","","","","","Sodium;5-[(6-methoxyquinolin-8-yl)diazenyl]quinolin-8-ol","","COC1=CC(=C2C(=C1)C=CC=N2)N=NC3=C4C=CC=NC4=C(C=C3)O.[Na+]","UBGDLDLAWJFFMH-UHFFFAOYSA-N","135436503",NA,"PDBC53475","5896","Present"
-"Sodium;5-acetamido-4-hydroxy-2-[3-[2-(prop-2-enoylamino)ethylsulfanyl]propoxy]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Sodium;5-acetamido-4-hydroxy-2-[3-[2-(prop-2-enoylamino)ethylsulfanyl]propoxy]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid","","CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCCCSCCNC(=O)C=C)O.[Na+]","VICSDBJPMRYNHI-UHFFFAOYSA-N","54611314",NA,"PDBC53476","631409","Present"
-"Sodium;5-oxo-1-phenyl-2H-triazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","NSC684057","","C1=CC=C(C=C1)N2C(=O)C(=NN2)C(=O)N.[Na+]","JSQZVQQJGBQXNI-UHFFFAOYSA-N","54604850",NA,"PDBC53477","684057","Present"
-"Sodium;5H-benzo[a]phenothiazine-6-sulfonic acid","","","","","","","","","","","","","","","","","","","","NSC34782","","C1C2=CC=CC=C2C3=NC4=CC=CC=C4SC3=C1S(=O)(=O)O.[Na+]","LQRKKYWWYNDXJL-UHFFFAOYSA-N","54609314",NA,"PDBC53478","34782","Present"
-"Sodium;6-amino-1H-pyrimidin-2-one","","","","","","","","","","","","","","","","","","","","Sodium;6-amino-1H-pyrimidin-2-one","","C1=C(NC(=O)N=C1)N.[Na+]","JVLUYUNNSCKSOF-UHFFFAOYSA-N","54598731",NA,"PDBC53479","637532","Present"
-"Sodium;6-hydroxy-5-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid","","","","","","","","","","","","","","","","","","","","NSC65823///NSC7814","","CC1=CC=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O.[Na+]","KFIMNKJZVLWIFS-UHFFFAOYSA-N","135422233",NA,"PDBC53480","65823///7814","Present"
-"Sodium;7-[[1-methyl-4-[[1-methyl-4-[[1-methyl-5-[[1-methyl-5-[(4,6,8-trisulfonaphthalen-2-yl)carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid","","","","","","","","","","","","","","","","","","","","1,3,5-Naphthalenetrisulfonic acid, 7,7'-[carbonylbis [im...","","CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)C(=C2)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CC8=C(C=C(C=C8S(=O)(=O)O)S(=O)(=O)O)C(=C7)S(=O)(=O)O)C)C.[Na+]","WFXWCKWTAUWHBE-UHFFFAOYSA-N","373982",NA,"PDBC53481","651015","Present"
-"Sodium;8-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid","","","","","","","","","","","","","","","","","","","","Sodium;8-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC4=C3C=C(C=C4)S(=O)(=O)O)O.[Na+]","KLDJASJUZOFMPP-UHFFFAOYSA-N","135422003",NA,"PDBC53482","45577","Present"
-"Sodium;9-chloro-7-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one","","","","","","","","","","","","","","","","","","","","Sodium;9-chloro-7-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one","","C1=CC2=C(N=C1)OC3=C(C2=O)C=C(C=C3Cl)C4=NNN=N4.[Na+]","OYXAHBZQUPAGSR-UHFFFAOYSA-N","22498615",NA,"PDBC53483","330806","Present"
-"Sodium;N-(2-pyridin-2-ylquinazolin-4-yl)nitrous amide","","","","","","","","","","","","","","","","","","","","NSC605607","","C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=N3)NN=O.[Na+]","ZVWNLWOLKCXTNM-UHFFFAOYSA-N","54608005",NA,"PDBC53484","605607","Present"
-"Sodium;N-(2-pyridin-3-ylquinazolin-4-yl)nitrous amide","","","","","","","","","","","","","","","","","","","","NSC604167","","C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NN=O.[Na+]","AEEVXYVEXSQKKZ-UHFFFAOYSA-N","54608059",NA,"PDBC53485","604167","Present"
-"Sodium;N-(4-methylphenyl)-[3-[(4-methylphenyl)carbamoyl]phenoxy]phosphonamidic acid","","","","","","","","","","","","","","","","","","","","Sodium;N-(4-methylphenyl)-[3-[(4-methylphenyl)carbamoyl]phenoxy]phosphonamidic acid","","CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OP(=O)(NC3=CC=C(C=C3)C)O.[Na+]","HVAQFNFZVALHJY-UHFFFAOYSA-N","54604807",NA,"PDBC53486","669806","Present"
-"Sodium;N-(5-naphthalen-2-ylsulfanylpyridin-2-yl)nitrous amide","","","","","","","","","","","","","","","","","","","","Diazene, hydroxy[5-[(2-naphthalenyl)thio]-2-pyridinyl]-,...","","C1=CC=C2C=C(C=CC2=C1)SC3=CN=C(C=C3)NN=O.[Na+]","BRHPHYIVLPVNOG-UHFFFAOYSA-N","54611149",NA,"PDBC53487","600759","Present"
-"Sodium;N-(5-naphthalen-2-ylsulfonylpyridin-2-yl)nitrous amide","","","","","","","","","","","","","","","","","","","","NSC603533","","C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=CN=C(C=C3)NN=O.[Na+]","WIFBLBKXDKIWPF-UHFFFAOYSA-N","54608054",NA,"PDBC53488","603533","Present"
-"Sodium;N-(5-phenylpyridin-2-yl)nitrous amide","","","","","","","","","","","","","","","","","","","","Diazene, hydroxy(5-phenyl-2-pyridinyl)-, sodium salt","","C1=CC=C(C=C1)C2=CN=C(C=C2)NN=O.[Na+]","HBHQMAKWZSFHJW-UHFFFAOYSA-N","54608018",NA,"PDBC53489","600167","Present"
-"Sodium;N-(6-methoxypyridazin-3-yl)-4-[[4-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]imino-1-oxonaphthalen-2-yl]amino]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","Sodium;N-(6-methoxypyridazin-3-yl)-4-[[4-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]imino-1-oxonaphthalen-2-yl]amino]benzenesulfonamide","","COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=CC(=NC4=CC=C(C=C4)S(=O)(=O)NC5=NN=C(C=C5)OC)C6=CC=CC=C6C3=O.[Na+]","CHUKCLHJDRVCMC-UHFFFAOYSA-N","54601653",NA,"PDBC53490","656125","Present"
-"Sodium;N-[5-(benzenesulfinyl)pyridin-2-yl]nitrous amide","","","","","","","","","","","","","","","","","","","","Diazene, hydroxy[5-(phenylsulfinyl)-2-pyridinyl]-, sodiu...","","C1=CC=C(C=C1)S(=O)C2=CN=C(C=C2)NN=O.[Na+]","QRHUIEPYWPSJKA-UHFFFAOYSA-N","54611153",NA,"PDBC53491","603534","Present"
-"Sodium;N-[5-(benzenesulfonyl)pyridin-2-yl]nitrous amide","","","","","","","","","","","","","","","","","","","","Diazene, hydroxy[5-(phenylsulfonyl)-2-pyridinyl]-, sodiu...","","C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(C=C2)NN=O.[Na+]","KZUODZFQKFAICO-UHFFFAOYSA-N","54598730",NA,"PDBC53492","600760","Present"
-"Sodium;N-benzyl-5-oxo-1,2-dihydrotriazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","NSC683596","","C1=CC=C(C=C1)CNC(=O)C2=NNNC2=O.[Na+]","LARSFJWMUZPZMT-UHFFFAOYSA-N","54608469",NA,"PDBC53493","683596","Present"
-"Sodium;N-di(propan-2-yloxy)phosphinothioylbenzenecarbothioamide","","","","","","","","","","","","","","","","","","","","NSC650439","","CC(C)OP(=S)(NC(=S)C1=CC=CC=C1)OC(C)C.[Na+]","KHJKALWVEHGAIM-UHFFFAOYSA-N","54608540",NA,"PDBC53494","650439","Present"
-"Sodium;N-methyl-5-oxo-1,2-dihydrotriazole-4-carboxamide","","","","","","","","","","","","","","","","","","","","NSC686665","","CNC(=O)C1=NNNC1=O.[Na+]","ZSODSRDQGJUJGJ-UHFFFAOYSA-N","54608533",NA,"PDBC53495","686665","Present"
-"Sodium;N-quinolin-2-ylnitrous amide","","","","","","","","","","","","","","","","","","","","Diazene, hydroxy(2-quinolinyl)-, sodium salt","","C1=CC=C2C(=C1)C=CC(=N2)NN=O.[Na+]","BVPCZIJEHXHTPT-UHFFFAOYSA-N","54608705",NA,"PDBC53496","607636","Present"
-"Sodium;[(diaminomethylideneamino)-phosphonomethyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","NSC697576","","C(N=C(N)N)(P(=O)(O)O)P(=O)(O)O.[Na+]","OKCVMWXERWAOLO-UHFFFAOYSA-N","54608850",NA,"PDBC53497","697576","Present"
-"Sodium;[2-(4-amino-2-oxopyrimidin-1-yl)ethoxy-phenylmethyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","Sodium;[2-(4-amino-2-oxopyrimidin-1-yl)ethoxy-phenylmethyl]phosphonic acid","","C1=CC=C(C=C1)C(OCCN2C=CC(=NC2=O)N)P(=O)(O)O.[Na+]","RPFZIFVTXGZFCG-UHFFFAOYSA-N","54598687",NA,"PDBC53498","653812","Present"
-"Sodium;[2-(6-aminopurin-9-yl)ethoxy-phenylmethyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","Sodium;[2-(6-aminopurin-9-yl)ethoxy-phenylmethyl]phosphonic acid","","C1=CC=C(C=C1)C(OCCN2C=NC3=C(N=CN=C32)N)P(=O)(O)O.[Na+]","BNFUUFPQCHBBEJ-UHFFFAOYSA-N","54604793",NA,"PDBC53499","653810","Present"
-"Sodium;[3-[(2,6-diaminopurin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","NSC653807///NSC653820","","C1=CC=C(C=C1)C(CC(CN2C=NC3=C(N=C(N=C32)N)N)CO)P(=O)(O)O.[Na+]","XPGQGYZCUWYTCO-UHFFFAOYSA-N","54608165",NA,"PDBC53500","653807///653820","Present"
-"Sodium;[3-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","NSC653806///NSC653819","","C1=CC=C(C=C1)C(CC(CN2C=NC3=C2N=C(NC3=O)N)CO)P(=O)(O)O.[Na+]","OVWPDPICQUNEDT-UHFFFAOYSA-N","135499349",NA,"PDBC53501","653806///653819","Present"
-"Sodium;[3-[(4-amino-2-oxopyrimidin-1-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","NSC653809///NSC653822","","C1=CC=C(C=C1)C(CC(CN2C=CC(=NC2=O)N)CO)P(=O)(O)O.[Na+]","SMOKZVFIBZLYTB-UHFFFAOYSA-N","54608166",NA,"PDBC53502","653809///653822","Present"
-"Sodium;[3-[(6-aminopurin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","NSC653808///NSC653821","","C1=CC=C(C=C1)C(CC(CN2C=NC3=C(N=CN=C32)N)CO)P(=O)(O)O.[Na+]","PEOUDQVIDGPPBC-UHFFFAOYSA-N","54608755",NA,"PDBC53503","653808///653821","Present"
-"Sodium;[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]sulfamic acid","","","","","","","","","","","","","","","","","","","","Sodium;[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]sulfamic acid","","C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)NS(=O)(=O)O)Cl.[Na+]","ZTLOACHXBVROBG-UHFFFAOYSA-N","54608881",NA,"PDBC53504","696154","Present"
-"Sodium;[4-(2,6-diaminopurin-9-yl)-1-phenylbutyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","Sodium;[4-(2,6-diaminopurin-9-yl)-1-phenylbutyl]phosphonic acid","","C1=CC=C(C=C1)C(CCCN2C=NC3=C(N=C(N=C32)N)N)P(=O)(O)O.[Na+]","ZDHNGQLSGGZHMV-UHFFFAOYSA-N","54608880",NA,"PDBC53505","653817","Present"
-"Sodium;[4-(2-amino-6-chloropurin-9-yl)-1-phenylbutyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","Sodium;[4-(2-amino-6-chloropurin-9-yl)-1-phenylbutyl]phosphonic acid","","C1=CC=C(C=C1)C(CCCN2C=NC3=C2N=C(N=C3Cl)N)P(=O)(O)O.[Na+]","PJJAZQALJDEUTM-UHFFFAOYSA-N","54600920",NA,"PDBC53506","653816","Present"
-"Sodium;[4-(2-amino-6-oxo-1H-purin-9-yl)-1-phenylbutyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","Sodium;[4-(2-amino-6-oxo-1H-purin-9-yl)-1-phenylbutyl]phosphonic acid","","C1=CC=C(C=C1)C(CCCN2C=NC3=C2N=C(NC3=O)N)P(=O)(O)O.[Na+]","BMAJNTMGXMZXMJ-UHFFFAOYSA-N","135499351",NA,"PDBC53507","653818","Present"
-"Sodium;[4-(4-amino-2-oxopyrimidin-1-yl)-1-phenylbutyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","Sodium;[4-(4-amino-2-oxopyrimidin-1-yl)-1-phenylbutyl]phosphonic acid","","C1=CC=C(C=C1)C(CCCN2C=CC(=NC2=O)N)P(=O)(O)O.[Na+]","QBZQAEUOZLAKDN-UHFFFAOYSA-N","54608167",NA,"PDBC53508","653815","Present"
-"Sodium;[4-(6-aminopurin-9-yl)-1-phenylbutyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","Sodium;[4-(6-aminopurin-9-yl)-1-phenylbutyl]phosphonic acid","","C1=CC=C(C=C1)C(CCCN2C=NC3=C(N=CN=C32)N)P(=O)(O)O.[Na+]","GIFFNKAKCXNOOB-UHFFFAOYSA-N","54604794",NA,"PDBC53509","653814","Present"
-"Sodium;[4-[(E)-2-[4-[[2-methoxy-4-[(4-methoxy-3-sulfophenyl)diazenyl]-5-methylphenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-[4-[(E)-2-[4-[[2-methoxy-4-[(4-methoxy-3-sulfophenyl)diazenyl]-5-methylphenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]imino-oxidoazanium","","","","","","","","","","","","","","","","","","","","Sodium;[4-[(E)-2-[4-[[2-methoxy-4-[(4-methoxy-3-sulfophenyl)diazenyl]-5-methylphenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-[4-[(E)-2-[4-[[2-methoxy-4-[(4-methoxy-3-sulfophenyl)diazenyl]-5-me","","CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)OC)S(=O)(=O)O)OC)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=[N+](C5=CC(=C(C=C5)C=CC6=C(C=C(C=C6)N=NC7=C(C=C(C(=C7)C)N=NC8=CC(=C(C=C8)OC)S(=O)(=O)O)OC)S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+]","DPUCKCMISOVNCT-YVOIEUOLSA-N","54609345",NA,"PDBC53510","35615","Present"
-"Sodium;[4-[benzyl(methyl)amino]phenyl]-ethoxycarbonylphosphinic acid","","","","","","","","","","","","","","","","","","","","NSC683275","","CCOC(=O)P(=O)(C1=CC=C(C=C1)N(C)CC2=CC=CC=C2)O.[Na+]","NMIRTIZPAWBTOG-UHFFFAOYSA-N","54608489",NA,"PDBC53511","683275","Present"
-"Sodium;[5-[(2-amino-3-phenylpropanoyl)oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-amino-3-phenylpropanoate;2,3,4,5,6-pentahydroxyhexanoic acid;chloride","","","","","","","","","","","","","","","","","","","","L-Phenylalanine, (1,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahy...","","C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C(CC7=CC=CC=C7)N)N.C(C(C(C(C(C(=O)O)O)O)O)O)O.[Na+].[Cl-]","NRRZIBNQPBLBOB-UHFFFAOYSA-M","355058",NA,"PDBC53512","608003","Present"
-"Sodium;[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hexadecyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","NSC669260///NSC672974","","CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]","VRKUKRQXQSYAFW-UHFFFAOYSA-N","54600921",NA,"PDBC53513","669260///672974","Present"
-"Sodium;[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hexadecylphosphinic acid","","","","","","","","","","","","","","","","","","","","NSC669263///NSC672975","","CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]","MQQDJNIKNMBKON-UHFFFAOYSA-N","54608187",NA,"PDBC53514","669263///672975","Present"
-"Sodium;aminomethanesulfonic acid","","","","","","","","","","","","","","","","","","","","NSC39851","","C(N)S(=O)(=O)O.[Na+]","UZHDDUOPWFLWPC-UHFFFAOYSA-N","54605180",NA,"PDBC53515","39851","Present"
-"Sodium;azane;phosphonatoformate;platinum(4+)","","","","","","","","","","","","","","","","","","","","NSC627008","","C(=O)([O-])P(=O)([O-])[O-].N.N.[Na+].[Pt+4]","FGQBUMRIPIEZDE-UHFFFAOYSA-K","24202095",NA,"PDBC53516","627008","Present"
-"Sodium;bis[4-[5-(diethylamino)pentan-2-ylimino]-6-methoxychromen-2-yl]azanide","","","","","","","","","","","","","","","","","","","","[(4Z,4'Z)-2,2'-(Imino-kappaN)bis{N-[(2RS)-5-(diethylammo...","","CCN(CC)CCCC(C)N=C1C=C(OC2=C1C=C(C=C2)OC)[N-]C3=CC(=NC(C)CCCN(CC)CC)C4=C(O3)C=CC(=C4)OC.[Na+]","UWSCXEBBTLSGBL-UHFFFAOYSA-N","155811289",NA,"PDBC53517","764805","Present"
-"Sodium;cyclohexane-1,2-diamine;phosphonatoformate;platinum(4+)","","","","","","","","","","","","","","","","","","","","NSC627009","","C1CCC(C(C1)N)N.C(=O)([O-])P(=O)([O-])[O-].[Na+].[Pt+4]","XJUDZFRXMGNHGH-UHFFFAOYSA-K","24202096",NA,"PDBC53518","627009","Present"
-"Sodium;diethyl 2-[phenyl(sulfanyl)phosphinothioyl]propanedioate","","","","","","","","","","","","","","","","","","","","NSC634088","","CCOC(=O)C(C(=O)OCC)P(=S)(C1=CC=CC=C1)S.[Na+]","LVRYJICTFFKLDV-UHFFFAOYSA-N","54600714",NA,"PDBC53519","634088","Present"
-"Sodium;diethylaminomethoxymethanedithioic acid","","","","","","","","","","","","","","","","","","","","NSC24076","","CCN(CC)COC(=S)S.[Na+]","GCHHSNYXLYHTEA-UHFFFAOYSA-N","54599607",NA,"PDBC53520","24076","Present"
-"Sodium;dihydroxy(dioxo)tungsten","","","","","","","","","","","","","","","","","","","","Sodium tungstate dihydrate","","O[W](=O)(=O)O.[Na+]","MSYUQDXYVMXHMZ-UHFFFAOYSA-L","54608119",NA,"PDBC53521","630319","Present"
-"Sodium;ethoxy(tridecyl)phosphinic acid","","","","","","","","","","","","","","","","","","","","Sodium;ethoxy(tridecyl)phosphinic acid","","CCCCCCCCCCCCCP(=O)(O)OCC.[Na+]","ZYDRBKKVQNEWPL-UHFFFAOYSA-N","54608823",NA,"PDBC53522","639415","Present"
-"Sodium;ethyl 2-[phenyl(sulfanyl)phosphinothioyl]acetate","","","","","","","","","","","","","","","","","","","","NSC634090","","CCOC(=O)CP(=S)(C1=CC=CC=C1)S.[Na+]","CCRJFWISOHILEL-UHFFFAOYSA-N","54604824",NA,"PDBC53523","634090","Present"
-"Sodium;hydroxy-oxo-phenanthren-9-ylphosphanium","","","","","","","","","","","","","","","","","","","","19-Phenanthrenephosphic acid - sodium salt","","C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)[P+](=O)O.[Na+]","ASIJJUJJGZVCSI-UHFFFAOYSA-O","54611326",NA,"PDBC53524","617340","Present"
-"Sodium;methoxy-[(E)-3-phenyl-3-[(2,2,2-trichloroacetyl)amino]prop-1-enyl]phosphinic acid","","","","","","","","","","","","","","","","","","","","Sodium;methoxy-[(E)-3-phenyl-3-[(2,2,2-trichloroacetyl)amino]prop-1-enyl]phosphinic acid","","COP(=O)(C=CC(C1=CC=CC=C1)NC(=O)C(Cl)(Cl)Cl)O.[Na+]","OFAATAWWRWOBED-USRGLUTNSA-N","54611470",NA,"PDBC53525","705132","Present"
-"Sodium;tert-butyl N-[3-[4-(2-diethoxyphosphorylacetyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-5-oxo-2H-pyrrol-2-yl]propyl]carbamate","","","","","","","","","","","","","","","","","","","","Sodium;tert-butyl N-[3-[4-(2-diethoxyphosphorylacetyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-5-oxo-2H-pyrrol-2-yl]propyl]carbamate","","CCOP(=O)(CC(=O)C1=C(C(N(C1=O)CC2=CC(=C(C=C2)OC)OC)CCCNC(=O)OC(C)(C)C)O)OCC.[Na+]","WCVRROAMUKXGNT-UHFFFAOYSA-N","54708176",NA,"PDBC53526","620621","Present"
-"Sodium;tridecane-1-sulfonic acid","","","","","","","","","","","","","","","","","","","","Sodium;tridecane-1-sulfonic acid","","CCCCCCCCCCCCCS(=O)(=O)O.[Na+]","CACJZDMMUHMEBN-UHFFFAOYSA-N","22247462",NA,"PDBC53527","639416","Present"
-"Sodium;zinc;2-(dithiocarboxyamino)pentanedioic acid","","","","","","","","","","","","","","","","","","","","Sodium;zinc;2-(dithiocarboxyamino)pentanedioic acid","","C(CC(=O)O)C(C(=O)O)NC(=S)S.[Na+].[Zn+2]","VRVRBTCGPLKNLD-UHFFFAOYSA-N","54601212",NA,"PDBC53528","30897","Present"
-"Sodium[(tetratropolonato)bismuthate(III)]","","","","","","","","","","","","","","","","","","","","Sodium[(tetratropolonato)bismuthate(III)]","","","","",NA,"PDBC53529","637810","Present"
-"Softran","","","","","","","","","","","","","","","","","","","","buclina","","CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl","BFUBEWDYLSDZEV-UHFFFAOYSA-N","5351720",NA,"PDBC53530","25141","Present"
-"Solacongestidine","","","","","","","","","","","","","","","","","","","","Solacongestidine","","CC1CCC(=NC1)C(C)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C","MSKAAWFUKWQOQS-YNAJWQGRSA-N","258526",NA,"PDBC53531","87500","Present"
-"Soladulcidine","","","","","","","","","","","","","","","","","","","","soladulcidin","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)NC1","XYNPYHXGMWJBLV-MFRNJXNGSA-N","255997",NA,"PDBC53532","82181","Present"
-"Solamargine","","","","","","","","","","","","","","","","","","","","Solamargine","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1","MBWUSSKCCUMJHO-UHFFFAOYSA-N","437080",NA,"PDBC53533","407810","Present"
-"Solanesol","","","","","","","","","","","","","","","","","","","","solanesol","","CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C","AFPLNGZPBSKHHQ-MEGGAXOGSA-N","5477212",NA,"PDBC53534","299938","Present"
-"Solanidine","","","","","","","","","","","","","","","","","","","","solatubin","","CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C","JVKYZPBMZPJNAJ-OQFNDJACSA-N","65727",NA,"PDBC53535","76025","Present"
-"Solanocapsine","","","","","","","","","","","","","","","","","","","","Solanocapsin","","CC1CC2(C(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)N)C)C)C)NC1)O","ZPTJKUUQUDRHTL-QAQRTNARSA-N","73419",NA,"PDBC53536","102622","Present"
-"Solantine Orange G","","","","","","","","","","","","","","","","","","","","Solantine Orange G","","C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)[N+](=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=[N+](C5=C(C=C(C=C5)N=NC6=CC=CC=C6)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O.[Na+]","HNXDAYYBTMZSSN-XJUKQBMZSA-N","135534443",NA,"PDBC53537","82395","Present"
-"Solasonin","","","","","","","","","","","","","","","","","","","","Solasonin","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1","QCTMYNGDIBTNSK-QOYYGLBOSA-N","255983",NA,"PDBC53538","82149","Present"
-"Solochrome Black","","","","","","","","","","","","","","","","","","","","chrome black t","","C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-].[Na+]","AMMWFYKTZVIRFN-UHFFFAOYSA-N","135422055",NA,"PDBC53539","7223","Present"
-"Solvent red 1","","","","","","","","","","","","","","","","","","","","NSC11232///NSC45194","","COC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O","ALLOLPOYFRLCCX-UHFFFAOYSA-N","14678",NA,"PDBC53540","11232///45194","Present"
-"Solvocillin","","","","","","","","","","","","","","","","","","","","solvocillin","","CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN5CCCC5)N(C)C)O.Cl","NAUHPSRFNVHVLD-UHFFFAOYSA-N","54712661",NA,"PDBC53541","50352","Present"
-"Solway Green G","","","","","","","","","","","","","","","","","","","","ortol green b","","CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)O.[Na+]","WSSZILCQNLWJDV-UHFFFAOYSA-N","24181319",NA,"PDBC53542","7795","Present"
-"Solway Violet BNA","","","","","","","","","","","","","","","","","","","","solway violet bra","","CC1=CC(=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O.[Na+]","SMLSYTGCPNQRLM-UHFFFAOYSA-N","54599421",NA,"PDBC53543","297168","Present"
-"Solypertine tartrate","","","","","","","","","","","","","","","","","","","","solypertine tartrate(usan)","","COC1=CC=CC=C1N2CCN(CC2)CCC3=CNC4=CC5=C(C=C43)OCO5.C(C(C(=O)O)O)(C(=O)O)O","FDYHSJCNTRLQCR-LREBCSMRSA-N","267773",NA,"PDBC53544","107432","Present"
-"Somalin","","","","","","","","","","","","","","","","","","","","somalin","","CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)O","YBZZSZQZDODUAA-QBHHOFBOSA-N","12310598",NA,"PDBC53545","251698","Present"
-"Somcl-12-81","","","","","","","","","","","","","","","","","","","","SOMCL-12-81","","CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC(=CC=C3)NC(=O)CN","BDVGHJLTQZVVPA-UHFFFAOYSA-N","77461036",NA,"PDBC53546","780163","Present"
-"Sonolisib","","","","","","","","","","","","","","","","","","","","NSC800933","","CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C(=CN(CC=C)CC=C)C4=C(C3=O)O)COC)C)C","QIUASFSNWYMDFS-NILGECQDSA-N","9849735",NA,"PDBC53547","800933","Present"
-"Sos1-IN-1","","","","","","","","","","","","","","","","","","","","NSC70220","","C1=CC=C(C(=C1)C=CC=C2C3=CC=CC=C3C4=CC=CC=C42)[N+](=O)[O-]","DAVRONXTELQQCO-VQHVLOKHSA-N","6184791",NA,"PDBC53548","70220","Present"
-"Sparsomysin","","","","","","","","","","","","","","","","","","","","sparsomysin","","CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CSC","XKLZIVIOZDNKEQ-RVUDUMFNSA-N","447106",NA,"PDBC53549","59729","Present"
-"Specionin","","","","","","","","","","","","","","","","","","","","Specionin","","C1C(C(=CC(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)O","WRIXGOHFTHKWMM-MZLJFPOFSA-N","5466955",NA,"PDBC53550","645992","Present"
-"Spectabiline (Senecio)","","","","","","","","","","","","","","","","","","","","Spectabiline","","CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)OC(=O)C)(C)O","ZVBPCOQJPAOXMI-AGMGMWSQSA-N","259727",NA,"PDBC53551","89934","Present"
-"Spectinabilin","","","","","","","","","","","","","","","","","","","","NEOAUREOTHIN","","CC1=C(OC(=C(C1=O)C)OC)C2CC(=CC(=CC(=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])C)C)C)CO2","IZICQJAGBLBAMJ-MNOZRKQQSA-N","5352028",NA,"PDBC53552","260179","Present"
-"Spectinomycin sulfate","","","","","","","","","","","","","","","","","","","","trobicin","","CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.OS(=O)(=O)O","XGBFWQUQYQIFLB-MTTMTQIXSA-N","64771",NA,"PDBC53553","100859","Present"
-"Spermidine Nitric Oxide Adduct","","","","","","","","","","","","","","","","","","","","Spermidine Nitric Oxide Adduct","","C(CCN(CCCN)[N+](=NO)[O-])CN","CVSGWKUBXQQGOE-ZRDIBKRKSA-N","135510113",NA,"PDBC53554","634218","Present"
-"Spermidine hydrochloride","","","","","","","","","","","","","","","","","","","","Spermidine hydrochloride","","C(CCNCCCN)CN.Cl","WRROLJSGZKCWGR-UHFFFAOYSA-N","16219989",NA,"PDBC53555","528399","Present"
-"Spermine Nitric Oxide Adduct","","","","","","","","","","","","","","","","","","","","Spermine Nitric Oxide Adduct","","C(CCN(CCCN)[N+](=NO)[O-])CNCCCN","STVYBUMQUAJDER-JQIJEIRASA-N","135503538",NA,"PDBC53556","634217","Present"
-"Spermine hydrochloride","","","","","","","","","","","","","","","","","","","","spermine hydrochloride","","C(CCNCCCN)CNCCCN.Cl","KBDDIZRDKLGWGW-UHFFFAOYSA-N","5351186",NA,"PDBC53557","69852","Present"
-"Spermine(hbbh)","","","","","","","","","","","","","","","","","","","","Spermine(hbbh)","","CC(C)(C)OC(=O)N(CCCCN(CCCN)C(=O)OC(C)(C)C)CCCN","SXSUKFQJCFUOTC-UHFFFAOYSA-N","389642",NA,"PDBC53558","685984","Present"
-"Sphaerophorin","","","","","","","","","","","","","","","","","","","","sphaerophorin","","CCCCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2C)OC)O)O)C(=O)O","LNAYIVMXSQCRRC-UHFFFAOYSA-N","371611",NA,"PDBC53559","646004","Present"
-"Sphaeropsidin A","","","","","","","","","","","","","","","","","","","","Sphaeropsidin A","","CC1(CCCC23C1C(C(=O)C4=CC(CCC42O)(C)C=C)(OC3=O)O)C","FEKFUWWVNCCROX-SQWSIXGCSA-N","51361447",NA,"PDBC53560","765878","Present"
-"Sphingosine","","","","","","","","","","","","","","","","","","","D-erythro-Sphingosine","","","CCCCCCCCCCCCCC=CC(C(CO)N)O","WWUZIQQURGPMPG-KRWOKUGFSA-N","5280335",NA,"PDBC53561","","Absent"
-"Sphinxolide","","","","","","","","","","","","","","","","","","","","Sphinxolide","","CC1C=CC(CC(C(C2C(C(=CC(=O)O2)C(C(CC(=CC=CC(=O)OC(C(C=CC(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)OC)O)C)OC)OC","GIEXXWAAMFTZSN-GXVIQCKOSA-N","5468563",NA,"PDBC53562","671680","Present"
-"Sphinxolide B","","","","","","","","","","","","","","","","","","","","Sphinxolide B","","CC1C=CC(CC(C(C2C(C(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1O)O)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)O)C)OC)OC","AUGBUMLPEBEQNB-MPZVQNBPSA-N","5468560",NA,"PDBC53563","671677","Present"
-"Sphinxolide C","","","","","","","","","","","","","","","","","","","","Sphinxolide C","","CC1C=CC(CC(C(C2C(C(=CC(=O)O2)C(C(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)O)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)OC)O)C)OC)OC","GNVXNFJGHBCESL-GXVIQCKOSA-N","5468561",NA,"PDBC53564","671678","Present"
-"Sphinxolide D","","","","","","","","","","","","","","","","","","","","Sphinxolide D","","CC1C=CC(CC(C(C2C(C(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)O)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)O)C)OC)OC","FFZDKDJAMUULRL-NRMZHEQMSA-N","5468562",NA,"PDBC53565","671679","Present"
-"Spicamycin analog","","","","","","","","","","","","","","","","","","","","KRN5500","","CCCCCCCCCC=CC=CC(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O","LQIPDFIUPOYMPR-AQASXUMVSA-N","5459220",NA,"PDBC53566","650426","Present"
-"Spicatin","","","","","","","","","","","","","","","","","","","","Spicatin","","CC=C(CO)C(=O)OC1C=C(C2C1C3(CC(C4C2OC(=O)C4=C)OC(=O)C(=CC)COC(=O)C)CO3)C","ARVIDAQMVLXQIX-KGMKFKQSSA-N","5458357",NA,"PDBC53567","165260","Present"
-"Spiculisporic acid","","","","","","","","","","","","","","","","","","","","spiculisporic acid","","CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)O","TUXHHVJPGQUPCF-UHFFFAOYSA-N","316426",NA,"PDBC53568","244387","Present"
-"Spiro 32","","","","","","","","","","","","","","","","","","","","Spirogermanium","","CC[Ge]1(CCC2(CCN(C2)CCCN(C)C)CC1)CC.Cl","FYXUOECINAVYTO-UHFFFAOYSA-N","21872718",NA,"PDBC53569","192965","Present"
-"Spiro(1-azabicyclo(2.2.2)octane-3,4'-imidazolidine)-2',5'-dione, 1'-((phenyl(phenylmethyl)amino)methyl)-","","","","","","","","","","","","","","","","","","","","3'-[(N-Benzylanilino)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione","","C1CN2CCC1C3(C2)C(=O)N(C(=O)N3)CN(CC4=CC=CC=C4)C5=CC=CC=C5","CHPHBKYGPSWUQY-UHFFFAOYSA-N","339031",NA,"PDBC53570","363935","Present"
-"Spiro(2.6)nonane-1,1,2,2-tetracarbonitrile","","","","","","","","","","","","","","","","","","","","4LTV4EUB33","","C1CCCC2(CC1)C(C2(C#N)C#N)(C#N)C#N","OPWBKDAEAXHDSR-UHFFFAOYSA-N","263806",NA,"PDBC53571","98481","Present"
-"Spiro(3-cyclopentene-1,5-dione, 3-bromo-","","","","","","","","","","","","","","","","","","","","Spiro(3-cyclopentene-1,1'-indane)-2,5-dione, 3-bromo-","","C1CC2(C3=CC=CC=C31)C(=O)C=C(C2=O)Br","IQFPNRVCYKVXMC-UHFFFAOYSA-N","360666",NA,"PDBC53572","622984","Present"
-"Spiro(3H-benz(f)indazole-3,9'-(9H)xanthene)-4,9-diol","","","","","","","","","","","","","","","","","","","","Spiro(3H-benz(f)indazole-3,9'-(9H)xanthene)-4,9-diol","","C1=CC=C2C(=C1)C(=C3C(=C2O)N=NC34C5=CC=CC=C5OC6=CC=CC=C46)O","YFMCYRZSEQIRKF-UHFFFAOYSA-N","347646",NA,"PDBC53573","406433","Present"
-"Spiro(4H-1-benzothiopyran-4,2'(5'H)-furan)-5'-one, 2,3,3',4'-tetrahydro-4'-methylene-, 1,1-dioxide","","","","","","","","","","","","","","","","","","","","Spiro(4H-1-benzothiopyran-4,2'(5'H)-furan)-5'-one, 2,3,3',4'-tetrahydro-4'-methylene-, 1,1-dioxide","","C=C1CC2(CCS(=O)(=O)C3=CC=CC=C32)OC1=O","AHRMDTRMXQLGQT-UHFFFAOYSA-N","323666",NA,"PDBC53574","286121","Present"
-"Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4'-dehydro-4'-methylene-","","","","","","","","","","","","","","","","","","","","Spiro[5H-dibenzo[a,d]cycloheptene-5,2'(3'H)-furan]-5'-on...","","C=C1CC2(C3=CC=CC=C3C=CC4=CC=CC=C42)OC1=O","HTMGHHHTOIMYDF-UHFFFAOYSA-N","179616",NA,"PDBC53575","637828","Present"
-"Spiro-1,3-dithia-6-oxa-2-Germacyclooctane","","","","","","","","","","","","","","","","","","","","spiro-1,3-dithia-6-oxa-2-Germacyclooctane","","C1CS[Ge]2(SCCO1)SCCOCCS2","UGNXFKGTAPPRQH-UHFFFAOYSA-N","16683582",NA,"PDBC53576","648326","Present"
-"Spiro-1,6-trithia-2-germacyclooctane","","","","","","","","","","","","","","","","","","","","Spiro-1,3,6-trithia-2-germacyclooctane","","C1CS[Ge]2(SCCS1)SCCSCCS2","MZTHWFDDFVDGAU-UHFFFAOYSA-N","16683581",NA,"PDBC53577","648325","Present"
-"Spiro[1,2,3,8b-tetrahydrobiphenylene-4,2'-1,3-dioxane]-4a-yl acetate","","","","","","","","","","","","","","","","","","","","spiro[1,2,3,8b-tetrahydrobiphenylene-4,2'-1,3-dioxane]-4a-yl acetate","","CC(=O)OC12C(CCCC13OCCCO3)C4=CC=CC=C24","GZLDZKSHZPCNSE-UHFFFAOYSA-N","375536",NA,"PDBC53578","655315","Present"
-"Spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dione","","","","","","","","","","","","","","","","","","","","spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dione","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=O)NN4","PTOJVSYVJLPGNS-UHFFFAOYSA-N","377320",NA,"PDBC53579","658720","Present"
-"Spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dithione","","","","","","","","","","","","","","","","","","","","Spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dithione","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=S)NC(=S)NN4","BADBNPXFLFYHRK-UHFFFAOYSA-N","3001581",NA,"PDBC53580","658717","Present"
-"Spiro[1,2-dihydroindene-3,2'-3a,4,7,7a-tetrahydroindene]-1',3'-dione","","","","","","","","","","","","","","","","","","","","Spiro[1,2-dihydroindene-3,2'-3a,4,7,7a-tetrahydroindene]-1',3'-dione","","C1CC2(C3=CC=CC=C31)C(=O)C4CC=CCC4C2=O","UJUMWICRKXFWGH-UHFFFAOYSA-N","360670",NA,"PDBC53581","622988","Present"
-"Spiro[1,2-dihydroindene-3,2'-cyclopent-4-ene]-1',3'-dione","","","","","","","","","","","","","","","","","","","","Spiro[1,2-dihydroindene-3,2'-cyclopent-4-ene]-1',3'-dione","","C1CC2(C(=O)C=CC2=O)C3=CC=CC=C31","IVBBQCZURZUFPN-UHFFFAOYSA-N","360667",NA,"PDBC53582","622985","Present"
-"Spiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[a]naphthalene]-9'-one","","","","","","","","","","","","","","","","","","","","Spiro[2H-benz[e]indene-2,2'-[2H]benz[f]inden]-9(1H)-one, 1',3,3',5',6,6',7,7',8,8'-decahydro-","","C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C6=C(CCCC6=O)C=C5)C=C2C1","XSZYLTISRDNVCQ-UHFFFAOYSA-N","384714",NA,"PDBC53583","674950","Present"
-"Spiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one","","","","","","","","","","","","","","","","","","","","Spiro[2H-benz[f]indene-2,2'(5'H)-[s]indacen]-5'-one, 1,1',3,3',5,6,6',7,7',8-decahydro-","","C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C=C6C(=C5)CCC6=O)C=C2C1","AOXGNWRYOVOECO-UHFFFAOYSA-N","384715",NA,"PDBC53584","674951","Present"
-"Spiro[1,3-dihydro-1-benzazepine-4,2'-3,4,5,7-tetrahydropyrano[3,2-d][1]benzazepine]-2,5,6'-trione","","","","","","","","","","","","","","","","","","","","spiro[1,3-dihydro-1-benzazepine-4,2'-3,4,5,7-tetrahydropyrano[3,2-d][1]benzazepine]-2,5,6'-trione","","C1CC2(CC(=O)NC3=CC=CC=C3C2=O)OC4=C1CC(=O)NC5=CC=CC=C54","VFOYYDABULZAOF-UHFFFAOYSA-N","376187",NA,"PDBC53585","656721","Present"
-"Spiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5'-one","","","","","","","","","","","","","","","","","","","","Spiro[2H-benz[f]indene-2,2'-[2H]inden]-5(1H)-one, 1',3,3',6,7,8-hexahydro-","","C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4)C=C2C(=O)C1","SONBYSKLYGUMEL-UHFFFAOYSA-N","382728",NA,"PDBC53586","670406","Present"
-"Spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid","","C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4)C(=C2C1)C(=O)O","JGELTOFFKHWTBE-UHFFFAOYSA-N","385714",NA,"PDBC53587","677060","Present"
-"Spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carbaldehyde","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carbaldehyde","","C1CC2=C(C1)C3=C(CC4(C3)CC5=C(C4)C=C(C=C5)C=O)C=C2","HVSQZGPCUBWINN-UHFFFAOYSA-N","385720",NA,"PDBC53588","677066","Present"
-"Spiro[1,3-dioxolane-2,2'-9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(12),13,15,17-tetraene]-10'-one","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxolane-2,2'-9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(12),13,15,17-tetraene]-10'-one","","C1CCN2C(C1)CC3(C4=C(CC2=O)C5=CC=CC=C5N4)OCCO3","GOXSVHWAQFXHEX-UHFFFAOYSA-N","393326",NA,"PDBC53589","694991","Present"
-"Spiro[1,3-dioxolane-2,2'-tricyclo[2.2.1.01,4]heptane], 3'-bromo-5',5',6'-trimethyl-","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxolane-2,2'-tricyclo[2.2.1.01,4]heptane], 3'-bromo-5',5',6'-trimethyl-","","CC1C(C23C1(C2)C4(C3Br)OCCO4)(C)C","GAVFTOXAFOGPIF-UHFFFAOYSA-N","379931",NA,"PDBC53590","665123","Present"
-"Spiro[1,3-dioxolane-2,4'-bicyclo[3.1.0]hexane]-6'-ylmethanol","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]-6'-ylmethanol","","C1CC2(C3C1C3CO)OCCO2","ZSOVXWXXQXSRNC-UHFFFAOYSA-N","390958",NA,"PDBC53591","689211","Present"
-"Spiro[1,3-dithiolane-2,1'(2'H)-naphthalene]-3'-acetonitrile, 3',4'-dihydro-6',8'-dimethoxy-","","","","","","","","","","","","","","","","","","","","2-(5',7'-Dimethoxyspiro[1,3-dithiolane-2,4'-2,3-dihydro-1H-naphthalene]-2'-yl)acetonitrile","","COC1=CC2=C(C(=C1)OC)C3(CC(C2)CC#N)SCCS3","DXOMCJGBIFSQPY-UHFFFAOYSA-N","362202",NA,"PDBC53592","625801","Present"
-"Spiro[1,3-dithiolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-one","","","","","","","","","","","","","","","","","","","","spiro[1,3-dithiolane-2,[?]-[?]]one","","C1CSC2(S1)C3C4CC5C3C(=O)C6C5C4C26","DKZRKQXWLVZILP-UHFFFAOYSA-N","362203",NA,"PDBC53593","625802","Present"
-"Spiro[1,3-dithiolane-2,9'-tricyclo[4.3.0.03,8]nonan]-2'-ol, acetate","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dithiolane-2,9'-tricyclo[4.3.0.03,8]nonane]-2'-yl acetate","","CC(=O)OC1C2CCC3C1C4(C2C3)SCCS4","DREXMYSQNWWJKF-UHFFFAOYSA-N","380728",NA,"PDBC53594","666435","Present"
-"Spiro[1,5'[5H]-indene]-2'-one, octahydro-3a'-(2-propynyl)-, mixture with octahydro-3a-(2-propynyl)-2,5-indandione","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxalane-2,5'[5H]-indene]-2'-one, octahydro- ...","","C#CCC12CC(=O)CCC1CC(=O)C2.C#CCC12CC(=O)CC1CCC3(C2)OCCO3","NEWCYDKZSQXAPR-OPNNZCENSA-N","359239",NA,"PDBC53595","619948","Present"
-"Spiro[1-thia(IV)-2-oxaindan-1,1'-[1]thia(IV)[2]oxa[3H]phenalene]-3-one","","","","","","","","","","","","","","","","","","","","Spiro[1-thia(IV)-2-oxaindan-1,1'-[1]thia(IV)[2]oxa[3H]phenalene]-3-one","","C1C2=CC=CC3=C2C(=CC=C3)S4(O1)C5=CC=CC=C5C(=O)O4","WWAVPNZWXYWIJG-UHFFFAOYSA-N","396655",NA,"PDBC53596","703169","Present"
-"Spiro[1H-1,2,4-triazine-6,9'-fluorene]-3,5-diamine","","","","","","","","","","","","","","","","","","","","Spiro[1H-1,2,4-triazine-6,9'-fluorene]-3,5-diamine","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=NC(=NN4)N)N","CFDOVBZFWVYTGX-UHFFFAOYSA-N","377319",NA,"PDBC53597","658719","Present"
-"Spiro[1H-benzo[a]cyclopenta[c]biphenylene-1,2'-[1,3]dioxolan]-7b(2H)-ol, 3,3a,11b,11c-tetrahydro-","","","","","","","","","","","","","","","","","","","","Spiro[1H-benzo[a]cyclopenta[c]biphenylene-1,2'-[1,3]dioxolan]-7b(2H)-ol, 3,3a,11b,11c-tetrahydro-","","C1CC2(C3C1C4=CC=CC=C4C5(C3C6=CC=CC=C65)O)OCCO2","ZXAGLSDEXKRMRM-UHFFFAOYSA-N","375537",NA,"PDBC53598","655316","Present"
-"Spiro[1H-indene-1,3'(1'H)-naphtho[1,2-c]furan]-1'-one, 2,3-dihydro-4-methyl-","","","","","","","","","","","","","","","","","","","","7-Methylspiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one","","CC1=C2CCC3(C2=CC=C1)C4=C(C5=CC=CC=C5C=C4)C(=O)O3","HRYZJOKWAXKZTM-UHFFFAOYSA-N","362081",NA,"PDBC53599","625604","Present"
-"Spiro[1H-indene-1,3'(1'H)-naphtho[1,2-c]furan]-1'-one, 2,3-dihydro-9'-methoxy-4-methyl-","","","","","","","","","","","","","","","","","","","","9'-Methoxy-7-methylspiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one","","CC1=C2CCC3(C2=CC=C1)C4=C(C5=C(C=CC=C5OC)C=C4)C(=O)O3","PNRYXVWKRFIQCX-UHFFFAOYSA-N","362065",NA,"PDBC53600","625587","Present"
-"Spiro[2,1,3-benzoxadiazole-5(4H),2'-[1,3]dioxolane], 6,7-dihydro-7,7-dinitro-, 3-oxide","","","","","","","","","","","","","","","","","","","","4',4'-Dinitro-1'-oxidospiro[1,3-dioxolane-2,6'-5,7-dihydro-2,1,3-benzoxadiazol-1-ium]","","C1COC2(O1)CC3=[N+](ON=C3C(C2)([N+](=O)[O-])[N+](=O)[O-])[O-]","XHJBNVUHOJYUHQ-UHFFFAOYSA-N","379421",NA,"PDBC53601","663963","Present"
-"Spiro[2,1lambda4-benzoxathiole-1,2'-3-oxa-2lambda4-thiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-3,4'-dione","","","","","","","","","","","","","","","","","","","","Spiro[2,1lambda4-benzoxathiole-1,2'-3-oxa-2lambda4-thiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-3,4'-dione","","C1=CC=C2C(=C1)C(=O)OS23C4=CC=CC5=C4C(=CC=C5)C(=O)O3","NMNOUNQLFRNNRR-UHFFFAOYSA-N","397818",NA,"PDBC53602","706393","Present"
-"Spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one","","","","","","","","","","","","","","","","","","","","Spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one","","C1CC2=C(C1)C3=C(CC4(C3=O)CC5=C(C4)C=C6CCCC6=C5)C=C2","XUQDJGNODWVLRM-UHFFFAOYSA-N","382653",NA,"PDBC53603","670301","Present"
-"Spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-indane]-5'-ylmethanol","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-5-ylmethanol","","C1CC2=CC3=C(CC4(C3)CC5=C(C4)C=C(C=C5)CO)C=C2C1","ZBXMCBFBKYQYGL-UHFFFAOYSA-N","385712",NA,"PDBC53604","677058","Present"
-"Spiro[2,3,6,8-tetrahydro-1H-as-indacene-7,2'-3H-indene]-1'-one","","","","","","","","","","","","","","","","","","","","Spiro[2,3,6,8-tetrahydro-1H-as-indacene-7,2'-3H-indene]-1'-one","","C1CC2=C(C1)C3=C(CC4(C3)CC5=CC=CC=C5C4=O)C=C2","RAOGCCRJLUUWFS-UHFFFAOYSA-N","385660",NA,"PDBC53605","677006","Present"
-"Spiro[2,3,6,8-tetrahydro-as-indacene-7,2'-indane]-1-one","","","","","","","","","","","","","","","","","","","","1,1',3,3',6,7-hexahydro-8H-spiro[as-indacene-2,2'-inden]-8-one","","C1CC(=O)C2=C1C=CC3=C2CC4(C3)CC5=CC=CC=C5C4","VIYSOHHDMOPNTG-UHFFFAOYSA-N","382727",NA,"PDBC53606","670405","Present"
-"Spiro[2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrole-3,1'-cyclohexane]-1-one","","","","","","","","","","","","","","","","","","","","spiro[2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrole-3,1'-cyclohexane]-1-one","","C1CCC2=C(CC1)C3(CCCCC3)NC2=O","YHSCJMJPPQZFKH-UHFFFAOYSA-N","363348",NA,"PDBC53607","628204","Present"
-"Spiro[2,5,6,7,8,8a-hexahydrocyclohepta[c]pyrrole-1,1'-cyclohexane]-3-one","","","","","","","","","","","","","","","","","","","","spiro[2,5,6,7,8,8a-hexahydrocyclohepta[c]pyrrole-1,1'-cyclohexane]-3-one","","C1CCC2(CC1)C3CCCCC=C3C(=O)N2","KBTYFEODFOAIPQ-UHFFFAOYSA-N","363346",NA,"PDBC53608","628202","Present"
-"Spiro[2,6,9,9a-tetrahydro-1H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-3,4,8-trione","","","","","","","","","","","","","","","","","","","","Spiro[2,6,9,9a-tetrahydro-1H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-3,4,8-trione","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC5NNC(=O)C(=O)N5N4","FICZWHRZQXPBFS-UHFFFAOYSA-N","380556",NA,"PDBC53609","666169","Present"
-"Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-(2-phenylethyl)-","","","","","","","","","","","","","","","","","","","","Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-(2-phenylethyl)-","","C1CN(CCC12NC(=O)C3=CC=CC=C3O2)CCC4=CC=CC=C4","LISGHDLHSHXDSN-UHFFFAOYSA-N","379979",NA,"PDBC53610","665286","Present"
-"Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-(2-propenyl)-","","","","","","","","","","","","","","","","","","","","Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-(2-propenyl)-","","C=CCN1CCC2(CC1)NC(=O)C3=CC=CC=C3O2","XEXOGMOPZTVUDM-UHFFFAOYSA-N","379976",NA,"PDBC53611","665283","Present"
-"Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-","","","","","","","","","","","","","","","","","","","","1'-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one","","C1CN(CCC12NC(=O)C3=CC=CC=C3O2)CCCC4(OCCO4)C5=CC=C(C=C5)F","DFADTMUJPQOACZ-UHFFFAOYSA-N","379986",NA,"PDBC53612","665291","Present"
-"Spiro[2H-1-benzopyran-2,2'-[2H]indol]-6-ol, 1',3'-dihydro-1',3',3'-trimethyl-","","","","","","","","","","","","","","","","","","","","Spiro[2H-1-benzopyran-2,2'-indolin]-6-ol, 1',3',3'-trime...","","CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)O)C)C","UHRBDHPBCHWWAG-UHFFFAOYSA-N","90866",NA,"PDBC53613","270086","Present"
-"Spiro[2H-1-benzopyran-3(4H),4'(1'H)-isoquinolin]-4-one, 2',3'-dihydro-2'-methyl-","","","","","","","","","","","","","","","","","","","","2-Methylspiro[1,3-dihydroisoquinoline-4,3'-2H-chromene]-4'-one","","CN1CC2=CC=CC=C2C3(C1)COC4=CC=CC=C4C3=O","DSERXCVQUPWLBX-UHFFFAOYSA-N","362812",NA,"PDBC53614","627126","Present"
-"Spiro[2H-benz[e]indene-2,2'-[2H]benz[f]indene]-1,1'(3'H,3H)-dione, 5',6,6',7,7',8,8',9-octahydro-","","","","","","","","","","","","","","","","","","","","Spiro[5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene-2,2'-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene]-1',3-dione","","C1CCC2=C(C1)C=CC3=C2C(=O)C4(C3)CC5=C(C4=O)C=C6CCCCC6=C5","VQDPGHIGSDHGJY-UHFFFAOYSA-N","382776",NA,"PDBC53615","670454","Present"
-"Spiro[2H-benz[e]indene-2,2'-[2H]benz[f]indene]-5',9(1'H,1H)-dione, 3,3',6,6',7,7',8,8'-octahydro-","","","","","","","","","","","","","","","","","","","","Spiro[3,6,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5',9-dione","","C1CC2=C(C(=O)C1)C3=C(CC4(C3)CC5=C(C4)C=C6C(=C5)CCCC6=O)C=C2","TZRYGLPJFSJEOS-UHFFFAOYSA-N","382635",NA,"PDBC53616","670284","Present"
-"Spiro[2H-benz[e]indene-2,2'-[2H]inden]-1(3H)-one, 1',3',6,7,8,9-hexahydro-","","","","","","","","","","","","","","","","","","","","Spiro[2H-benz[e]indene-2,2'-[2H]inden]-1(3H)-one, 1',3',6,7,8,9-hexahydro-","","C1CCC2=C(C1)C=CC3=C2C(=O)C4(C3)CC5=CC=CC=C5C4","NOSWRHVFVLJEKO-UHFFFAOYSA-N","382654",NA,"PDBC53617","670302","Present"
-"Spiro[2H-benz[e]indene-2,2'-[2H]inden]-9(1H)-one, 1',3,3',6,7,8-hexahydro-","","","","","","","","","","","","","","","","","","","","Spiro[2H-benz[e]indene-2,2'-[2H]inden]-9(1H)-one, 1',3,3',6,7,8-hexahydro-","","C1CC2=C(C(=O)C1)C3=C(CC4(C3)CC5=CC=CC=C5C4)C=C2","HUSPSXFJPYVDBW-UHFFFAOYSA-N","382729",NA,"PDBC53618","670407","Present"
-"Spiro[2H-benz[e]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',6,7,8,9-octahydro-g,6-dioxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 4-oxo-4-(6'-oxospiro[1,3-dihydroindene-2,2'-3,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene]-5-yl)butanoate","","COC(=O)CCC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C5=C(C=C4)C(=O)CCC5)C=C1","XWFALCLNUQKGLQ-UHFFFAOYSA-N","382732",NA,"PDBC53619","670410","Present"
-"Spiro[2H-benz[e]indene-2,2'-[2H]indene]-5'-carboxylic acid, 5-ethyl-1,1',3,3',6,7,8,9-octahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 5-ethylspiro[1,3,6,7,8,9-hexahydrocyclopenta[a]naphthalene-2,2'-1,3-dihydroindene]-5'-carboxylate","","CCC1=C2CCCCC2=C3CC4(CC5=C(C4)C=C(C=C5)C(=O)OC)CC3=C1","PPZMRZDTOWEHON-UHFFFAOYSA-N","384726",NA,"PDBC53620","674962","Present"
-"Spiro[2H-benz[e]indene-2,2'-[2H]indene]-5'-carboxylic acid, 5-ethyl-1,1',3,3',6,7,8,9-octahydro-9-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 5'-ethyl-9'-oxospiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[a]naphthalene]-5-carboxylate","","CCC1=C2CCCC(=O)C2=C3CC4(CC5=C(C4)C=C(C=C5)C(=O)OC)CC3=C1","NQUYVMQFSNLBQJ-UHFFFAOYSA-N","382636",NA,"PDBC53621","670285","Present"
-"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-4,5'-dicarboxylic acid, 1,1',3,3',5,6,7,8-octahydro-, dimethyl ester","","","","","","","","","","","","","","","","","","","","Dimethyl spiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-1,3-dihydroindene]-4,5'-dicarboxylate","","COC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C(=C5CCCCC5=C4)C(=O)OC)C=C1","KADAXGCJTHRJPA-UHFFFAOYSA-N","385718",NA,"PDBC53622","677064","Present"
-"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-","","","","","","","","","","","","","","","","","","","","Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-","","C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C=C(C=C5)CCCC(=O)O)C=C2C1","UBAIIKBHNNYSPV-UHFFFAOYSA-N","382733",NA,"PDBC53623","670411","Present"
-"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-, methyl ester","","COC(=O)CCCC1=CC2=C(CC3(C2)CC4=C(C3)C=C5CCCCC5=C4)C=C1","YUPXUMMFBQPHHU-UHFFFAOYSA-N","382734",NA,"PDBC53624","670412","Present"
-"Spiro[2H-indene-2,2'-[2H]thiopyran]-1,3-dione, 3',6'-dihydro-4',5'-dimethyl-","","","","","","","","","","","","","","","","","","","","Spiro[2H-indene-2,2'-[2H]thiopyran]-1,3-dione, 3',6'-dihydro-4',5'-dimethyl-","","CC1=C(CSC2(C1)C(=O)C3=CC=CC=C3C2=O)C","NDPGKUQPOWJVQD-UHFFFAOYSA-N","363743",NA,"PDBC53625","628934","Present"
-"Spiro[2H-pyrrole-2,4'(1'H)-quinoline]-2',3(3'H,4H)-dione, 1'-acetyl-5-methyl-","","","","","","","","","","","","","","","","","","","","1'-Acetyl-2-methylspiro[3H-pyrrole-5,4'-3H-quinoline]-2',4-dione","","CC1=NC2(CC(=O)N(C3=CC=CC=C32)C(=O)C)C(=O)C1","VABOBLRKHNFOCR-UHFFFAOYSA-N","379464",NA,"PDBC53626","664017","Present"
-"Spiro[2a,3-b]oxirene-2-(1aH),2'-naphtho[1,8-de][1,3]dioxin]-3,8(9H,9aH)-dione, 9-hydroxy-, stereoisomer","","","","","","","","","","","","","","","","","","","","Spiro[2a,8a-epoxyanthra[2,3-b]oxirene- 2-(1aH),2'-naphth...","","C1=CC=C2C(=C1)C(=O)C34C(C5C(O5)C6(C3(C2=O)O4)OC7=CC=CC8=C7C(=CC=C8)O6)O","DPEPLNNDWXFYPW-IDINPZAYSA-N","388424",NA,"PDBC53627","683332","Present"
-"Spiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1,1'-dione","","","","","","","","","","","","","","","","","","","","Spiro[as-indacene-2(1H),2'(1'H)-[s]indacene]-1,1'-dione, 3,3',5',6,6',7,7',8-octahydro-","","C1CC2=C(C1)C3=C(CC4(C3=O)CC5=C(C4=O)C=C6CCCC6=C5)C=C2","XOQVOUQVMTUIMN-UHFFFAOYSA-N","382773",NA,"PDBC53628","670451","Present"
-"Spiro[3,5,6,7-tetrahydro-s-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione","","","","","","","","","","","","","","","","","","","","Spiro[3,5,6,7-tetrahydro-s-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione","","C1CCC2=CC3=C(CC4(C3=O)CC5=C(C4=O)C=C6CCCC6=C5)C=C2C1","PHWUFKHFRXEWRQ-UHFFFAOYSA-N","382774",NA,"PDBC53629","670452","Present"
-"Spiro[3,6,7,8-tetrahydro-1H-as-indacene-2,2'-indane]-1-ol","","","","","","","","","","","","","","","","","","","","Spiro[as-indacene-2(1H),2'-[2H]inden]-1-ol, 1',3,3',6,7,8-hexahydro-","","C1CC2=C(C1)C3=C(CC4(C3O)CC5=CC=CC=C5C4)C=C2","SQZAFKPXESPMNT-UHFFFAOYSA-N","385661",NA,"PDBC53630","677007","Present"
-"Spiro[3,6,7,8-tetrahydro-as-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione","","","","","","","","","","","","","","","","","","","","Spiro[3,6,7,8-tetrahydro-as-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione","","C1CCC2=CC3=C(CC4(C3=O)CC5=C(C4=O)C6=C(CCC6)C=C5)C=C2C1","ZHIALTHOBMPSQK-UHFFFAOYSA-N","382775",NA,"PDBC53631","670453","Present"
-"Spiro[3.3]heptane-2,6-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","Fecht's acid","","C1C(CC12CC(C2)C(=O)O)C(=O)O","JQZAKMJZYGPUFD-UHFFFAOYSA-N","240836",NA,"PDBC53632","47621","Present"
-"Spiro[3H-2,1-benzoxathiole-3,9'-[9H]fluorene], 1-oxide","","","","","","","","","","","","","","","","","","","","Spiro[3H-2,1-benzoxathiole-3,9'-[9H]fluorene], 1-oxide","","C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=CC=C5S(=O)O4","ZGXFNWWJABTEQP-UHFFFAOYSA-N","363703",NA,"PDBC53633","628825","Present"
-"Spiro[3H-2-benzopyran-3,1'-cyclohexan]-1(4H)-one, 5,6,7,8-tetrahydro-4-methylene-","","","","","","","","","","","","","","","","","","","","Spiro[3H-2-benzopyran-3,1'-cyclohexan]-1(4H)-one, 5,6,7,8-tetrahydro-4-methylene-","","C=C1C2=C(CCCC2)C(=O)OC13CCCCC3","UDVPJDXTYDXRCU-UHFFFAOYSA-N","372861",NA,"PDBC53634","648551","Present"
-"Spiro[3H-cyclopenta[a]naphthalene-2,2'-indane]-1,1'-dione","","","","","","","","","","","","","","","","","","","","Spiro[2H-benz[e]indene-2,2'-[2H]indene]-1,1'(3'H,3H)-dione","","C1C2=C(C3=CC=CC=C3C=C2)C(=O)C14CC5=CC=CC=C5C4=O","FVXKPFUNFTXVFP-UHFFFAOYSA-N","393831",NA,"PDBC53635","696652","Present"
-"Spiro[3H-indene-2,2'-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene]-1,1'-dione","","","","","","","","","","","","","","","","","","","","Spiro[3H-indene-2,2'-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene]-1,1'-dione","","C1CCC2=C(C1)C=CC3=C2C(=O)C4(C3)CC5=CC=CC=C5C4=O","HJEQLZWLQIVQKC-UHFFFAOYSA-N","384719",NA,"PDBC53636","674955","Present"
-"Spiro[3H-indole-3,2'-oxiran]-2(1H)-one, 5,7-dichloro-3'-(4-chlorobenzoyl)-","","","","","","","","","","","","","","","","","","","","5,7-Dichloro-3'-(4-chlorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one","","C1=CC(=CC=C1C(=O)C2C3(O2)C4=C(C(=CC(=C4)Cl)Cl)NC3=O)Cl","PDLFTPBJXAKBQW-UHFFFAOYSA-N","366689",NA,"PDBC53637","635406","Present"
-"Spiro[3H-indole-3,3'-pyrrolidine]-2'-carboxylic acid, 1,1'-diacetyl-1,2-dihydro-2-(4-hydroxyphenyl)-","","","","","","","","","","","","","","","","","","","","1,1'-Diacetyl-2-(4-hydroxyphenyl)spiro[2H-indole-3,3'-pyrrolidine]-2'-carboxylic acid","","CC(=O)N1CCC2(C1C(=O)O)C(N(C3=CC=CC=C23)C(=O)C)C4=CC=C(C=C4)O","VAKSZXZIYLNMIF-UHFFFAOYSA-N","363407",NA,"PDBC53638","628311","Present"
-"Spiro[3H-indole-3,3'-pyrrolidine]-2'-carboxylic acid, 1-acetyl-2-(3,4-dimethoxyphenyl)-1,2-dihydro-1'-[(4-methylphenyl)sulfonyl]-, ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 1-acetyl-2-(3,4-dimethoxyphenyl)-1'-(4-methylphenyl)sulfonylspiro[2H-indole-3,3'-pyrrolidine]-2'-carboxylate","","CCOC(=O)C1C2(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C(N(C4=CC=CC=C24)C(=O)C)C5=CC(=C(C=C5)OC)OC","GSHDLPCUYRQXTP-UHFFFAOYSA-N","363201",NA,"PDBC53639","627876","Present"
-"Spiro[3H-indole-3,3'-pyrrolidine]-2'-carboxylic acid, 2-(3,4-dimethoxyphenyl)-1'-[(4-methylphenyl)sulfonyl]-, ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(3,4-dimethoxyphenyl)-1'-(4-methylphenyl)sulfonylspiro[indole-3,3'-pyrrolidine]-2'-carboxylate","","CCOC(=O)C1C2(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4N=C2C5=CC(=C(C=C5)OC)OC","NIRTZTFLVHKVFU-UHFFFAOYSA-N","363195",NA,"PDBC53640","627869","Present"
-"Spiro[3H-indole-3,3'-pyrrolidine]-2'-carboxylic acid, 2-(3,4-dimethoxyphenyl)-1,2-dihydro-1'-[(4-methylphenyl)sulfonyl]-, ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(3,4-dimethoxyphenyl)-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-carboxylate","","CCOC(=O)C1C2(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C(NC4=CC=CC=C24)C5=CC(=C(C=C5)OC)OC","OJWKRUIGQHVMGJ-UHFFFAOYSA-N","363196",NA,"PDBC53641","627871","Present"
-"Spiro[3H-indole-3,3'-pyrrolidine]-2'-carboxylic acid, octahydro-2-(4-methoxyphenyl)-1'-[(4-methylphenyl)sulfonyl]-, ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-(4-methoxyphenyl)-1'-(4-methylphenyl)sulfonylspiro[1,2,3a,4,5,6,7,7a-octahydroindole-3,3'-pyrrolidine]-2'-carboxylate","","CCOC(=O)C1C2(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C4CCCCC4NC2C5=CC=C(C=C5)OC","UTYSKBIQSLYWDP-UHFFFAOYSA-N","363198",NA,"PDBC53642","627873","Present"
-"Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-","","","","","","","","","","","","","","","","","","","","Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-","","CC(=O)N1CCC2(CC1)C=NC3=CC=CC=C23","FBLRWVCSDVNPNN-UHFFFAOYSA-N","370424",NA,"PDBC53643","643520","Present"
-"Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-5-methoxy-","","","","","","","","","","","","","","","","","","","","Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-5-methoxy-","","CC(=O)N1CCC2(CC1)C=NC3=C2C=C(C=C3)OC","FKXCSENTEIKSBX-UHFFFAOYSA-N","370419",NA,"PDBC53644","643517","Present"
-"Spiro[3H-indole-3,5'(4'H)-isoxazol]-2(1H)-one, 3'-methyl-","","","","","","","","","","","","","","","","","","","","3'-Methylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one","","CC1=NOC2(C1)C3=CC=CC=C3NC2=O","LNIJOLZBHHLEMQ-UHFFFAOYSA-N","380253",NA,"PDBC53645","665733","Present"
-"Spiro[3H-indole-3,9'(6'H)-pyrido[1,2-a]indol]-6'-one, 7',8',9'a,10'-tetrahydro-2-methyl-7',8'-diphenyl-","","","","","","","","","","","","","","","","","","","","2'-Methyl-7,8-diphenylspiro[7,8,9a,10-tetrahydropyrido[1,2-a]indole-9,3'-indole]-6-one","","CC1=NC2=CC=CC=C2C13C4CC5=CC=CC=C5N4C(=O)C(C3C6=CC=CC=C6)C7=CC=CC=C7","WJHNIFZIDBAKTM-UHFFFAOYSA-N","365635",NA,"PDBC53646","633489","Present"
-"Spiro[4H-cyclopenta[2,1-b:3,4-b']dithiophene-4,2'-[1,3]dioxolane]","","","","","","","","","","","","","","","","","","","","spiro[1,3-dioxolane-2,5'-[?]]","","C1COC2(O1)C3=C(C4=C2C=CS4)SC=C3","BCGOAEVQIBPZCC-UHFFFAOYSA-N","386260",NA,"PDBC53647","678003","Present"
-"Spiro[4H-pyran-4,7'-[7H]pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepine], 2,3,5,5',6,6'-hexahydro-","","","","","","","","","","","","","","","","","","","","Spiro[2,8,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene-7,4'-oxane]","","C1COCCC12C3=CC=CN3C4=C(NN2)N=CC=C4","XYKFJFARXUYTRX-UHFFFAOYSA-N","374130",NA,"PDBC53648","651557","Present"
-"Spiro[5.5]undecane-3-carboxamide,4-dioxo-","","","","","","","","","","","","","","","","","","","","Spiro[5.5]undecane-3-carboxamide, N-[(4-methylphenyl)sul...","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2C(=O)CC3(CCCCC3)CC2=O","IAIUMVPEFJQUIS-UHFFFAOYSA-N","328866",NA,"PDBC53649","309741","Present"
-"Spiro[5.7]tridec-1-ene-3,7-dione","","","","","","","","","","","","","","","","","","","","Spiro[5.7]tridec-1-ene-3,7-dione","","C1CCCC2(CCC(=O)C=C2)C(=O)CC1","SKHCRRFXVHLTOB-UHFFFAOYSA-N","363768",NA,"PDBC53650","628975","Present"
-"Spiro[5H-benzo[3,4]cyclobuta[1,2]cycloheptene-5,2'-[1,3]dioxan]-4b(6H)-ol, 7,8,9,9a-tetrahydro-1,4-dimethyl-","","","","","","","","","","","","","","","","","","","","3',6'-Dimethylspiro[1,3-dioxane-2,13'-tricyclo[6.5.0.02,7]trideca-2,4,6-triene]-1'-ol","","CC1=C2C3CCCCC4(C3(C2=C(C=C1)C)O)OCCCO4","YJXLJEXIOFQKCP-UHFFFAOYSA-N","375532",NA,"PDBC53651","655311","Present"
-"Spiro[5H-benzo[3,4]cyclobuta[1,2]cycloheptene-5,2'-[1,3]dioxan]-4b(6H)-ol, 7,8,9,9a-tetrahydro-9a-(4-morpholinyl)-","","","","","","","","","","","","","","","","","","","","morpholinospiro[1,3-dioxane-2,[?]-[?]]ol","","C1CCC2(C3(C4=CC=CC=C4C3(C1)N5CCOCC5)O)OCCCO2","VAOWMWKFKFODLA-UHFFFAOYSA-N","375518",NA,"PDBC53652","655297","Present"
-"Spiro[5H-furo[3,2-b]naphtho[2,3-d]pyran-5,2'-[2H]pyran]-2,6,11(3H)-trione, 3',3a,4',5',6',11b-hexahydro-6'-methyl-","","","","","","","","","","","","","","","","","","","","6'-Methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,2'-oxane]-2,9,13-trione","","CC1CCCC2(O1)C3=C(C4C(O2)CC(=O)O4)C(=O)C5=CC=CC=C5C3=O","OEUYGKAVYFGZFF-UHFFFAOYSA-N","369540",NA,"PDBC53653","641401","Present"
-"Spiro[5H-phenophosphazinine-10,10'-phenophosphazinine]","","","","","","","","","","","","","","","","","","","","Spiro[5H-phenophosphazinine-10,10'-phenophosphazinine]","","C1=CC=C2C(=C1)NC3=CC=CC=C3P24=C5C=CC=CC5=NC6=CC=CC=C46","LTMWXVYDOFUDBN-UHFFFAOYSA-N","380780",NA,"PDBC53654","666490","Present"
-"Spiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]-2',5'-dione","","","","","","","","","","","","","","","","","","","","Spiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]-2',5'-dione","","C1CC2=C(C=CS2)C3(C1)CC(=O)NC3=O","GJVMOEJAMBYWQV-UHFFFAOYSA-N","353843",NA,"PDBC53655","603101","Present"
-"Spiro[7H-benzo[3,4]cyclobuta[1,2]cycloheptene-7,2'-[1,3]dioxolan]-4b(8H)-ol, 9,9a-dihydro-4-(2-methyl-1,3-dioxolan-2-yl)-","","","","","","","","","","","","","","","","","","","","3'-(2-Methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-tricyclo[6.5.0.02,7]trideca-2(7),3,5,12-tetraene]-1'-ol","","CC1(OCCO1)C2=CC=CC3=C2C4(C3CCC5(C=C4)OCCO5)O","IGRXYKWVMNRJMH-UHFFFAOYSA-N","375535",NA,"PDBC53656","655314","Present"
-"Spiro[7H-pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepine-7,3'(2'H)-thiophene], 4',5,5',6-tetrahydro-","","","","","","","","","","","","","","","","","","","","Spiro[2,8,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene-7,3'-thiolane]","","C1CSCC12C3=CC=CN3C4=C(NN2)N=CC=C4","RKGLORGXPXVVIZ-UHFFFAOYSA-N","374602",NA,"PDBC53657","652569","Present"
-"Spiro[9H-fluorene-9,6'(5'H)-[1,2,4]triazin]-5'-one, 3'-(5,6-dihydro-3-methyl-5-oxo-1,2,4-triazin-2(1H)-yl)-1',4'-dihydro-","","","","","","","","","","","","","","","","","","","","Spiro[9H-fluorene-9,6'(5'H)-[1,2,4]triazin]-5'-one, 3'-(5,6-dihydro-3-methyl-5-oxo-1,2,4-triazin-2(1H)-yl)-1',4'-dihydro-","","CC1=NC(=O)CNN1C2=NNC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2","CWIUBDFVTWSGJU-UHFFFAOYSA-N","135409201",NA,"PDBC53658","666166","Present"
-"Spiro[9H-fluorene-9,6'(7'H)-[5H]thiazolo[3,2-b][1,2,4]triazin]-3'(2'H)-one","","","","","","","","","","","","","","","","","","","","Spiro[5,7-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-one","","C1C(=O)N2C(=NCC3(N2)C4=CC=CC=C4C5=CC=CC=C35)S1","SFCYWECUCVNOBM-UHFFFAOYSA-N","377324",NA,"PDBC53659","658724","Present"
-"Spiro[9H-fluorene-9,7'(8'H)-[2H,6H][1,2,4]triazino[3,2-b][1,3,5]thiadiazin]-8'-one, 4'-(1,1-dimethylethyl)-2'-thioxo-","","","","","","","","","","","","","","","","","","","","4-Tert-butyl-2-sulfanylidenespiro[6H-[1,2,4]triazino[3,2-b][1,3,5]thiadiazine-7,9'-fluorene]-8-one","","CC(C)(C)C1=NC(=S)SC2=NC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)NN12","HHKGMKZRPJIIPK-UHFFFAOYSA-N","377329",NA,"PDBC53660","658730","Present"
-"Spiro[9bH--1,2benzoxaphospholo[2,3-d]-1,3,4-oxazaphosphole-4,2'-[1,3,2]dioxaphospholan]-2(3H)-one, 4',4',5',5'-tetramethyl-9b-(trifluoromethyl)-","","","","","","","","","","","","","","","","","","","","4,4,5,5-Tetramethyl-2'-(trifluoromethyl)spiro[1,3-dioxa-2lambda5-phosphacyclopentane-2,6'-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene]-4'-one","","CC1(C(OP23(O1)C(C4=CC=CC=C4O2)(OC(=O)N3)C(F)(F)F)(C)C)C","BUFOWDAGBMNHFW-UHFFFAOYSA-N","375824",NA,"PDBC53661","656072","Present"
-"Spiro[9bH--1,2benzoxaphospholo[2,3-d]-1,3,4-oxazaphosphole-4,2'-[1,3,2]dioxaphospholan]-2(3H)-one, 9b-(trifluoromethyl)-","","","","","","","","","","","","","","","","","","","","2'-(Trifluoromethyl)spiro[1,3-dioxa-2lambda5-phosphacyclopentane-2,6'-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene]-4'-one","","C1COP23(O1)C(C4=CC=CC=C4O2)(OC(=O)N3)C(F)(F)F","KJYDZWMXRATYNO-UHFFFAOYSA-N","375823",NA,"PDBC53662","656071","Present"
-"Spiro[as-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',6,7,8-hexahydro-","","","","","","","","","","","","","","","","","","","","Spiro[as-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',6,7,8-hexahydro-","","C1CC2=C(C1)C3=C(CC4(C3=O)CC5=CC=CC=C5C4)C=C2","JURNTNOECPNKDO-UHFFFAOYSA-N","382650",NA,"PDBC53663","670298","Present"
-"Spiro[as-indacene-2(8H),2'-[2H]inden]-8-one, 5-ethyl-1,1',3,3',6,7-hexahydro-5'-methyl-","","","","","","","","","","","","","","","","","","","","4'-Ethyl-5-methylspiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-as-indacene]-1'-one","","CCC1=C2CCC(=O)C2=C3CC4(CC5=C(C4)C=C(C=C5)C)CC3=C1","VJQTVZXAZKJTFN-UHFFFAOYSA-N","382735",NA,"PDBC53664","670413","Present"
-"Spiro[benzo[3,4]cyclobuta[1,2]cyclododecene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,11,12,13,14,14a-decahydro-","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxane-2,2'-tricyclo[10.6.0.013,18]octadeca-13,15,17-triene]-1'-ol","","C1CCCCC2C3=CC=CC=C3C2(C4(CCCC1)OCCCO4)O","KVLBPWUWERSWBG-UHFFFAOYSA-N","375540",NA,"PDBC53665","655319","Present"
-"Spiro[benzo[3,4]cyclobuta[1,2]cyclododecene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,11,12,13,14,14a-decahydro-4-methoxy-","","","","","","","","","","","","","","","","","","","","17'-Methoxyspiro[1,3-dioxane-2,2'-tricyclo[10.6.0.013,18]octadeca-13(18),14,16-triene]-1'-ol","","COC1=CC=CC2=C1C3(C2CCCCCCCCCC34OCCCO4)O","LDXHOTCDKPRQCD-UHFFFAOYSA-N","375531",NA,"PDBC53666","655310","Present"
-"Spiro[benzo[3,4]cyclobuta[1,2]cyclododecene-5(4bH),2'-[1,3]dioxolan]-4b-ol, 6,7,8,9,10,11,12,13,14,14a-decahydro-","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxolane-2,2'-tricyclo[10.6.0.013,18]octadeca-13,15,17-triene]-1'-ol","","C1CCCCC2C3=CC=CC=C3C2(C4(CCCC1)OCCO4)O","JIKKDOWIZOYPTG-UHFFFAOYSA-N","375530",NA,"PDBC53667","655309","Present"
-"Spiro[benzo[3,4]cyclobuta[1,2]cyclooctene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,10a-hexahydro-","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxane-2,14'-tricyclo[6.6.0.02,7]tetradeca-2,4,6-triene]-1'-ol","","C1CCC2C3=CC=CC=C3C2(C4(CC1)OCCCO4)O","HOXZFISOUGSOHF-UHFFFAOYSA-N","375527",NA,"PDBC53668","655306","Present"
-"Spiro[benzo[3,4]cyclobuta[1,2]cyclooctene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,10a-hexahydro-, acetate","","","","","","","","","","","","","","","","","","","","spiro[1,3-dioxane-2,[?]-[?]]yl acetate","","CC(=O)OC12C(CCCCCC13OCCCO3)C4=CC=CC=C24","MLMNSGWQZQFPCN-UHFFFAOYSA-N","375528",NA,"PDBC53669","655307","Present"
-"Spiro[benzocyclodecene-6(5H),2'-[1,3]dioxolan]-5-ol, 7,8,9,10,11,12-hexahydro-, acetate","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxolane-2,6'-7,8,9,10,11,12-hexahydro-5H-benzo[10]annulene]-5'-yl acetate","","CC(=O)OC1C2=CC=CC=C2CCCCCCC13OCCO3","HTJROLSDJLQUBI-UHFFFAOYSA-N","375522",NA,"PDBC53670","655301","Present"
-"Spiro[benzocyclotetradecene-6(5H),2'-[1,3]dioxan]-5-one, 7,8,9,10,11,12,13,14,15,16-decahydro-","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dioxane-2,3'-bicyclo[12.4.0]octadeca-1(18),14,16-triene]-2'-one","","C1CCCCCC2(C(=O)C3=CC=CC=C3CCCC1)OCCCO2","SZNNLWNSCAGPKJ-UHFFFAOYSA-N","375519",NA,"PDBC53671","655298","Present"
-"Spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxan]-2'-one","","","","","","","","","","","","","","","","","","","","Spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxan]-2'-one","","C1C2CC3(C1C=C2)COC(=O)OC3","HBXYDGAJYSCVRY-UHFFFAOYSA-N","380688",NA,"PDBC53672","666391","Present"
-"Spiro[bicyclo[2.2.1]heptane-2,2'(4'H)-isoxazolo[2,3-a]indole]-3,4'-dione, 3',3'a-dihydro-3'a-phenyl-","","","","","","","","","","","","","","","","","","","","3a-Phenylspiro[3H-[1,2]oxazolo[2,3-a]indole-2,3'-bicyclo[2.2.1]heptane]-2',4-dione","","C1CC2CC1C(=O)C23CC4(C(=O)C5=CC=CC=C5N4O3)C6=CC=CC=C6","BPLOZJUEXDCQPQ-UHFFFAOYSA-N","374520",NA,"PDBC53673","652271","Present"
-"Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]-6-carboxylic acid, 2-hydroxyethyl ester","","","","","","","","","","","","","","","","","","","","Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]-6-carboxylic acid, 2-hydroxyethyl ester","","C1COC2(O1)CC3CC(C2C3)C(=O)OCCO","PQINUOGIUKZNDO-UHFFFAOYSA-N","361991",NA,"PDBC53674","625470","Present"
-"Spiro[bicyclo[3.1.1]heptane-2,2'(3'H)-thiophene], 4',4',5',5'-tetrafluorodihydro-6,6-bis(trifluoromethyl)-","","","","","","","","","","","","","","","","","","","","2',2',3',3'-Tetrafluoro-6,6-bis(trifluoromethyl)spiro[bicyclo[3.1.1]heptane-2,5'-thiolane]","","C1CC2(CC(C(S2)(F)F)(F)F)C3CC1C3(C(F)(F)F)C(F)(F)F","UHMGZMSZRULRFR-UHFFFAOYSA-N","379825",NA,"PDBC53675","664955","Present"
-"Spiro[bicyclo[3.2.1]oct-6-ene-2,2'-[1,3]dioxolane], 1,8,8-trimethyl-","","","","","","","","","","","","","","","","","","","","(1S)-(+)-Spiro[1.8.8-trimethylbicyclo[3.2.1]oct-6-ene-2,...","","CC1(C2CCC3(C1(C=C2)C)OCCO3)C","PUAQBSTWKFCNRV-UHFFFAOYSA-N","376764",NA,"PDBC53676","657820","Present"
-"Spiro[bicyclo[3.2.1]octane-2,2'-[1,3]dioxolan]-7-ol, 8,8-dimethyl-","","","","","","","","","","","","","","","","","","","","(exo)-Spiro[8,8-dimethyl-7-hydroxybicyclo[3.2.1]octane-2...","","CC1(C2CCC3(C1C(C2)O)OCCO3)C","YUKPVMPMCSGMQT-UHFFFAOYSA-N","373582",NA,"PDBC53677","650035","Present"
-"Spiro[bicyclo[3.3.1]nonane-2,2'-[1,3]dioxolan]-9-one, 6-hydroxy-1,5,6-trimethyl-","","","","","","","","","","","","","","","","","","","","Spiro[bicyclo[3.3.1]nonane-2,2'-[1,3]dioxolan]-9-one, 6-hydroxy-1,5,6-trimethyl-","","CC12CCC3(C(C1=O)(CCC2(C)O)C)OCCO3","HAMKGOFUGMHSMG-UHFFFAOYSA-N","363370",NA,"PDBC53678","628252","Present"
-"Spiro[cyclohepta[b]pyrrole-3(2H),1'-cyclohexan]-2-one, octahydro-","","","","","","","","","","","","","","","","","","","","Spiro[cyclohepta[b]pyrrole-3(2H),1'-cyclohexan]-2-one, octahydro-","","C1CCC2C(CC1)NC(=O)C23CCCCC3","PABSYTWLIILZFU-UHFFFAOYSA-N","363341",NA,"PDBC53679","628197","Present"
-"Spiro[cyclohepta[b]pyrrole-3(2H),1'-cyclohexan]-2-one, octahydro-8-hydroxy-","","","","","","","","","","","","","","","","","","","","Spiro[cyclohepta[b]pyrrole-3(2H),1'-cyclohexan]-2-one, octahydro-8-hydroxy-","","C1CCC2(CC1)C3CCCCC(C3NC2=O)O","JVAQZCQNBOWERX-UHFFFAOYSA-N","363342",NA,"PDBC53680","628198","Present"
-"Spiro[cyclohepta[c]pyrrole-1(2H),1'-cyclohexan]-3(4H)-one, hexahydro-","","","","","","","","","","","","","","","","","","","","Spiro[cyclohepta[c]pyrrole-1(2H),1'-cyclohexan]-3(4H)-one, hexahydro-","","C1CCC2C(CC1)C3(CCCCC3)NC2=O","YSQPZBDEMHFNCQ-UHFFFAOYSA-N","363340",NA,"PDBC53681","628196","Present"
-"Spiro[cyclohepta[c]pyrrole-1(2H),1'-cyclohexan]-3(4H)-one, hexahydro-4-hydroxy-","","","","","","","","","","","","","","","","","","","","4-hydroxyspiro[2,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]pyrrole-1,1'-cyclohexane]-3-one","","C1CCC2(CC1)C3CCCCC(C3C(=O)N2)O","ISTPIBPQBJFNCF-UHFFFAOYSA-N","363344",NA,"PDBC53682","628200","Present"
-"Spiro[cyclohex-3-ene-1,3'-[3H]indol]-2'(1'H)-one, 6-acetyl-4-methyl-","","","","","","","","","","","","","","","","","","","","5'-Acetyl-1'-methylspiro[1H-indole-3,4'-cyclohexene]-2-one","","CC1=CCC2(C(C1)C(=O)C)C3=CC=CC=C3NC2=O","JGNOBCLDLMDPPN-UHFFFAOYSA-N","370125",NA,"PDBC53683","642717","Present"
-"Spiro[cyclohex-4-ene-1,3'-[3H]indole]-2,2-dicarboxylic acid, 1',2'-dihydro-5-methyl-2'-oxo-, diethyl ester","","","","","","","","","","","","","","","","","","","","Diethyl 4'-methyl-2-oxospiro[1H-indole-3,6'-cyclohex-3-ene]-1',1'-dicarboxylate","","CCOC(=O)C1(CC=C(CC12C3=CC=CC=C3NC2=O)C)C(=O)OCC","OTQVNEPFCQBJED-UHFFFAOYSA-N","370126",NA,"PDBC53684","642718","Present"
-"Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-1'-hydroxy-","","","","","","","","","","","","","","","","","","","","Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-1'-hydroxy-","","C1CC2(CCC1=O)CC3=CC=CC=C3C2O","IXTAMFDGXLKNTG-UHFFFAOYSA-N","380764",NA,"PDBC53685","666472","Present"
-"Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-3'-hydroxy-1',1'-dimethyl-","","","","","","","","","","","","","","","","","","","","Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-3'-hydroxy-1',1'-dimethyl-","","CC1(C2=CC=CC=C2C(C13CCC(=O)CC3)O)C","WFKWOODOULRKGA-UHFFFAOYSA-N","380763",NA,"PDBC53686","666471","Present"
-"Spiro[cyclohexane-1,2'-[2H]indene]-1',3',4-trione, 2,6-diphenyl-, (2R,6R)-","","","","","","","","","","","","","","","","","","","","(3R,5R)-3,5-Diphenylspiro[cyclohexane-4,2'-indene]-1,1',3'-trione","","C1C(C2(C(CC1=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=CC=CC=C5","JCRKSTFTQQLWFT-DHIUTWEWSA-N","383407",NA,"PDBC53687","671637","Present"
-"Spiro[cyclohexane-1,2'-[2H]indene]-1',4(3'H)-dione, 3',3'-dimethyl-","","","","","","","","","","","","","","","","","","","","Spiro[cyclohexane-1,2'-[2H]indene]-1',4(3'H)-dione, 3',3'-dimethyl-","","CC1(C2=CC=CC=C2C(=O)C13CCC(=O)CC3)C","DFQSSQNWNNFISJ-UHFFFAOYSA-N","380765",NA,"PDBC53688","666473","Present"
-"Spiro[cyclohexane-1,2'-[2H]indene]-3-carboxylic acid, 1',3'-dihydro-1',4-dioxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Spiro[cyclohexane-1,2'-[2H]indene]-3-carboxylic acid, 1',3'-dihydro-1',4-dioxo-, methyl ester","","COC(=O)C1CC2(CCC1=O)CC3=CC=CC=C3C2=O","WHSAMYQQNBOCPW-UHFFFAOYSA-N","380761",NA,"PDBC53689","666469","Present"
-"Spiro[cyclohexane-1,2'-[2H]indole], 1',3'-dihydro-3'-methylene-1'-[(4-methylphenyl)sulfonyl]-","","","","","","","","","","","","","","","","","","","","Spiro[cyclohexane-1,2'-[2H]indole], 1',3'-dihydro-3'-methylene-1'-[(4-methylphenyl)sulfonyl]-","","CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C)C24CCCCC4","AOVWDICCTXSEKU-UHFFFAOYSA-N","372868",NA,"PDBC53690","648558","Present"
-"Spiro[cyclohexane-1,2'-[7]oxabicyclo[4.1.0]hept[4]ene], 3,4'-dibromo-4-chloro-1',4-dimethyl-","","","","","","","","","","","","","","","","","","","","2',3-Dibromo-1'-chloro-1',6-dimethylspiro[7-oxabicyclo[4.1.0]hept-2-ene-5,4'-cyclohexane]","","CC1(CCC2(CC1Br)CC(=CC3C2(O3)C)Br)Cl","ZIRXBRVKWMOWIG-UHFFFAOYSA-N","362628",NA,"PDBC53691","626774","Present"
-"Spiro[cyclohexane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-","","","","","","","","","","","","","","","","","","","","Spiro[cyclohexane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-","","CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)C=CC5(O4)CCCCC5)OC","QIJXGSALJLRUPX-UHFFFAOYSA-N","378815",NA,"PDBC53692","662133","Present"
-"Spiro[cyclopent[a]indene-2(8H),2'-[2H]indene]-1',8(3'H)-dione, 1,3,3a,8a-tetrahydro-1,3-diphenyl-","","","","","","","","","","","","","","","","","","","","1,3-Diphenylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione","","C1C2=CC=CC=C2C(=O)C13C(C4C(C3C5=CC=CC=C5)C(=O)C6=CC=CC=C46)C7=CC=CC=C7","DERYTOHQOBYDNH-UHFFFAOYSA-N","380793",NA,"PDBC53693","666513","Present"
-"Spiro[cyclopent[i]indolizine-2(1H),2'-[1,3]dioxolan]-6(7H)-one, hexahydro-","","","","","","","","","","","","","","","","","","","","Spiro[cyclopent[i]indolizine-2(1H),2'-[1,3]dioxolan]-6(7H)-one, hexahydro-","","C1CC2CC(=O)N3C2(C1)CC4(CC3)OCCO4","GUSUALGHELVILR-UHFFFAOYSA-N","361478",NA,"PDBC53694","624515","Present"
-"Spiro[cyclopent[i]indolizine-2(1H),2'-[1,3]dioxolane]-6(7H)-thione, hexahydro-7-(1-methyl-2-propenyl)-7-[3-(phenylmethoxy)propyl]-","","","","","","","","","","","","","","","","","","","","7'-But-3-en-2-yl-7'-(3-phenylmethoxypropyl)spiro[1,3-dioxolane-2,2'-3,4,7a,8,9,10-hexahydro-1H-cyclopenta[i]indolizine]-6'-thione","","CC(C=C)C1(C2CCCC23CC4(CCN3C1=S)OCCO4)CCCOCC5=CC=CC=C5","IQQSFMMVNDTVMW-UHFFFAOYSA-N","361486",NA,"PDBC53695","624523","Present"
-"Spiro[cyclopent[i]indolizine-2(1H),2'-[1,3]oxathiolane]-6(7H)-thione, hexahydro-7-[3-(phenylmethoxy)propyl]-","","","","","","","","","","","","","","","","","","","","7-(3-Phenylmethoxypropyl)spiro[1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,2'-1,3-oxathiolane]-6-thione","","C1CC2C(C(=S)N3C2(C1)CC4(CC3)OCCS4)CCCOCC5=CC=CC=C5","JJZMKOGCLSJYJV-UHFFFAOYSA-N","379057",NA,"PDBC53696","662827","Present"
-"Spiro[cyclopentane-1,1'-[1H]isoindol]-3'(2'H)-one, 3'a-(acetyloxy)hexahydro-","","","","","","","","","","","","","","","","","","","","(3-oxospiro[2,4,5,6,7,7a-hexahydroisoindole-1,1'-cyclopentane]-3a-yl) acetate","","CC(=O)OC12CCCCC1C3(CCCC3)NC2=O","AEUZAWNRIBQRJL-UHFFFAOYSA-N","363333",NA,"PDBC53697","628190","Present"
-"Spiro[cyclopentane-1,1'-[1H]isoindol]-3'(2'H)-one, hexahydro-3'a-hydroxy-","","","","","","","","","","","","","","","","","","","","7a-hydroxyspiro[2,3a,4,5,6,7-hexahydroisoindole-3,1'-cyclopentane]-1-one","","C1CCC2(C(C1)C3(CCCC3)NC2=O)O","GMYKAIZHDQPSLL-UHFFFAOYSA-N","363350",NA,"PDBC53698","628206","Present"
-"Spiro[cyclopentane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-","","","","","","","","","","","","","","","","","","","","Spiro[cyclopentane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-","","CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)C=CC5(O4)CCCC5)OC","NRJWDDAENVKOIA-UHFFFAOYSA-N","378400",NA,"PDBC53699","660818","Present"
-"Spiro[cyclopentane-1,9'-[9H]fluorene]-2,3-dione, 4-(phenylsulfonyl)-","","","","","","","","","","","","","","","","","","","","Spiro[cyclopentane-1,9'-[9H]fluorene]-2,3-dione, 4-(phenylsulfonyl)-","","C1C(C(=O)C(=O)C12C3=CC=CC=C3C4=CC=CC=C24)S(=O)(=O)C5=CC=CC=C5","JCRIPFDYTMDRHF-UHFFFAOYSA-N","362105",NA,"PDBC53700","625633","Present"
-"Spiro[cyclopentane-1,9'-[9H]fluorene]-3-carbonitrile, 4,5-dioxo-","","","","","","","","","","","","","","","","","","","","Spiro[cyclopentane-1,9'-[9H]fluorene]-3-carbonitrile, 4,5-dioxo-","","C1C(C(=O)C(=O)C12C3=CC=CC=C3C4=CC=CC=C24)C#N","NBZRKLUWTXMVFR-UHFFFAOYSA-N","362106",NA,"PDBC53701","625634","Present"
-"Spiro[cyclopropane-1,2'-[7]oxabicyclo[2.2.1]hept[5]ene]-6'-carboxylic acid, 1'-methyl-3'-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 1-methyl-5-oxospiro[7-oxabicyclo[2.2.1]hept-2-ene-6,1'-cyclopropane]-2-carboxylate","","CC12C(=CC(O1)C(=O)C23CC3)C(=O)OC","WPIVZURZDRJALN-UHFFFAOYSA-N","361152",NA,"PDBC53702","623984","Present"
-"Spiro[furan-3(2H),5'-[2]oxabicyclo[2.2.2]oct[7]ene]-2,3'-dione, 4,5-dihydro-","","","","","","","","","","","","","","","","","","","","Spiro[2-oxabicyclo[2.2.2]oct-5-ene-8,3'-oxolane]-2',3-dione","","C1COC(=O)C12CC3C=CC2C(=O)O3","VGVLMHYNQBMKKH-UHFFFAOYSA-N","375585",NA,"PDBC53703","655399","Present"
-"Spiro[indan-1,1'-cyclopentane]-2',5'-dione","","","","","","","","","","","","","","","","","","","","Spiro[1,2-dihydroindene-3,2'-cyclopentane]-1',3'-dione","","C1CC(=O)C2(C1=O)CCC3=CC=CC=C23","VSCILENQQFLZFH-UHFFFAOYSA-N","360668",NA,"PDBC53704","622986","Present"
-"Spiro[isobenzofuran-1(3H),2'-oxiran]-3-one, 3'-(4-chlorophenyl)-","","","","","","","","","","","","","","","","","","","","3'-(4-Chlorophenyl)spiro[2-benzofuran-3,2'-oxirane]-1-one","","C1=CC=C2C(=C1)C(=O)OC23C(O3)C4=CC=C(C=C4)Cl","KSCCPTWNTQSSNP-UHFFFAOYSA-N","374755",NA,"PDBC53705","652999","Present"
-"Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-fluoro-2'-methyl-","","","","","","","","","","","","","","","","","","","","6'-Fluoro-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one","","CC1=CC2=C(C=C1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)F","OGYJVSRSQAENOM-UHFFFAOYSA-N","372506",NA,"PDBC53706","647622","Present"
-"Spiro[naphthalene-1(2H),3'-pyrazolidin]-5'-one, 3,4-dihydro-4'-methyl-1'-phenyl-","","","","","","","","","","","","","","","","","","","","4'-Methyl-2'-phenylspiro[2,3-dihydro-1H-naphthalene-4,5'-pyrazolidine]-3'-one","","CC1C(=O)N(NC12CCCC3=CC=CC=C23)C4=CC=CC=C4","ACRSCYRJEUHRFC-UHFFFAOYSA-N","383529",NA,"PDBC53707","671946","Present"
-"Spiro[oxazolidine-4,2'-[2H]thiopyrano[2,3-b]quinoline]-2-thione, 5,5-dimethyl-3-phenyl-","","","","","","","","","","","","","","","","","","","","Spiro[oxazolidine-4,2'-[2H]thiopyrano[2,3-b]quinoline]-2-thione, 5,5-dimethyl-3-phenyl-","","CC1(C2(C=CC3=CC4=CC=CC=C4N=C3S2)N(C(=S)O1)C5=CC=CC=C5)C","ZXLMNNVQVBVIQD-UHFFFAOYSA-N","374873",NA,"PDBC53708","653385","Present"
-"Spiro[piperidine-4,2'(1'H)-quinazolin]-4'(3'H)-one, 1'-methyl-1-(phenylmethyl)-","","","","","","","","","","","","","","","","","","","","1'-Benzyl-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one","","CN1C2=CC=CC=C2C(=O)NC13CCN(CC3)CC4=CC=CC=C4","BIJKYLPPEOXWAN-UHFFFAOYSA-N","379973",NA,"PDBC53709","665280","Present"
-"Spiro[piperidine-4,2'(1'H)-quinazolin]-4'(3'H)-one, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1'-methyl-","","","","","","","","","","","","","","","","","","","","1'-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one","","CN1C2=CC=CC=C2C(=O)NC13CCN(CC3)CC4COC5=CC=CC=C5O4","URSGOQMZFDRMLW-UHFFFAOYSA-N","379984",NA,"PDBC53710","665289","Present"
-"Spiro[s-indacene-2(1H),2'-[2H]inden]-1'(3'H)-one, 3,5,6,7-tetrahydro-","","","","","","","","","","","","","","","","","","","","Spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3H-indene]-1'-one","","C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4=O)C=C2C1","WTSHLXJXDAYCEA-UHFFFAOYSA-N","382651",NA,"PDBC53711","670299","Present"
-"Spiro[s-indacene-2(1H),2'-[2H]inden]-1'(3'H)-one, 4-acetyl-3,5,6,7-tetrahydro-","","","","","","","","","","","","","","","","","","","","4-Acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3H-indene]-1'-one","","CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=CC=CC=C5C4=O","OTWFZTTTYHBYQY-UHFFFAOYSA-N","382660",NA,"PDBC53712","670308","Present"
-"Spiro[s-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',5,6,7-hexahydro-","","","","","","","","","","","","","","","","","","","","Spiro[s-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',5,6,7-hexahydro-","","C1CC2=CC3=C(C=C2C1)C(=O)C4(C3)CC5=CC=CC=C5C4","FEXYVUNMWNDRKJ-UHFFFAOYSA-N","382649",NA,"PDBC53713","670297","Present"
-"Spiro[s-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',5,6,7-hexahydro-5'-(hydroxymethoxyacetyl)-","","","","","","","","","","","","","","","","","","","","5-(2-Hydroxy-2-methoxyacetyl)spiro[1,3-dihydroindene-2,2'-3,5,6,7-tetrahydro-s-indacene]-1'-one","","COC(C(=O)C1=CC2=C(CC3(C2)CC4=C(C3=O)C=C5CCCC5=C4)C=C1)O","MRHFGKARKBVZET-UHFFFAOYSA-N","382663",NA,"PDBC53714","670311","Present"
-"Spiro[s-indacene-2(1H),2'-[2H]inden]-1-one, 5'-acetyl-1',3,3',5,6,7-hexahydro-","","","","","","","","","","","","","","","","","","","","5-Acetylspiro[1,3-dihydroindene-2,2'-3,5,6,7-tetrahydro-s-indacene]-1'-one","","CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3=O)C=C5CCCC5=C4)C=C1","QBEZZQQNWXIICM-UHFFFAOYSA-N","382661",NA,"PDBC53715","670309","Present"
-"Spiro[s-indacene-2(1H),2'-[2H]indene]-1,1'(3'H)-dione, 3,5,6,7-tetrahydro-","","","","","","","","","","","","","","","","","","","","Spiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione","","C1CC2=CC3=C(C=C2C1)C(=O)C4(C3)CC5=CC=CC=C5C4=O","DORDSAFSIHCUFG-UHFFFAOYSA-N","382768",NA,"PDBC53716","670446","Present"
-"Spiro[s-indacene-2(1H),2'-[2H]indene]-4-carboxylic acid, 1',3,3',5,6,7-hexahydro-1'-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 3-oxospiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate","","COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=CC=CC=C5C4=O","DRDQOHMUVPZYAQ-UHFFFAOYSA-N","382659",NA,"PDBC53717","670307","Present"
-"Spiro[s-indacene-2(1H),2'-[2H]indene]-5'-carboxylic acid, 1',3,3',5,6,7-hexahydro-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-5-carboxylate","","COC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C=C5CCCC5=C4)C=C1","PCBVPRNAXMQVNO-UHFFFAOYSA-N","382767",NA,"PDBC53718","670445","Present"
-"Spiro[s-indacene-2(1H),2'-[2H]indene]-5'-carboxylic acid, 1',3,3',5,6,7-hexahydro-1-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-carboxylate","","COC(=O)C1=CC2=C(CC3(C2)CC4=C(C3=O)C=C5CCCC5=C4)C=C1","BNCZOHWSVIEOPQ-UHFFFAOYSA-N","382662",NA,"PDBC53719","670310","Present"
-"Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 1,1',3,3',6,7-hexahydro-","","","","","","","","","","","","","","","","","","","","Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 1,1',3,3',6,7-hexahydro-","","C1CC(=O)C2=CC3=C(CC4(C3)CC5=CC=CC=C5C4)C=C21","ISLTYRHFOQTLHD-UHFFFAOYSA-N","382726",NA,"PDBC53720","670404","Present"
-"Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 5'-acetyl-1,1',3,3',6,7-hexahydro-","","","","","","","","","","","","","","","","","","","","5-Acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one","","CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C=C5C(=C4)CCC5=O)C=C1","JQIMPXNUWOWHDI-UHFFFAOYSA-N","382730",NA,"PDBC53721","670408","Present"
-"Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 5'-ethyl-1,1',3,3',6,7-hexahydro-","","","","","","","","","","","","","","","","","","","","5-Ethylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one","","CCC1=CC2=C(CC3(C2)CC4=C(C3)C=C5C(=C4)CCC5=O)C=C1","FCCCCACUPCHESA-UHFFFAOYSA-N","382731",NA,"PDBC53722","670409","Present"
-"Spirohexenolide","","","","","","","","","","","","","","","","","","","","spirohexenolide","","CC1CC23C(=O)C(=C4C=CC(=CC(CC=CC(=CC2(C=C1C)C)C)O)CO4)C(=O)O3","SWMOMSBFRQXQAA-XCGZFUDOSA-N","54613640",NA,"PDBC53723","746076","Present"
-"Spiromustine","","","","","","","","","","","","","","","","","","","","Spirohydantoin Mustard","","C1CCC2(CC1)C(=O)N(C(=O)N2)CCN(CCCl)CCCl","QNKJFXARIMSDBR-UHFFFAOYSA-N","41945",NA,"PDBC53724","172112","Present"
-"Spiroxatrine","","","","","","","","","","","","","","","","","","","","Spiroxatrine","","C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4COC5=CC=CC=C5O4","JVGBTTIJPBFLTE-UHFFFAOYSA-N","5268",NA,"PDBC53725","665322","Present"
-"Spongiane Acid","","","","","","","","","","","","","","","","","","","","Spongiane Acid","","CC12CCCC(C1CCC3(C2CCC4=COC=C43)C)(C)C(=O)O","KJCLDWYEUKTPNA-PWBWWXBJSA-N","360240",NA,"PDBC53726","622260","Present"
-"Spongothymidin","","","","","","","","","","","","","","","","","","","","Ara-T","","CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","DWRXFEITVBNRMK-UHFFFAOYSA-N","249989",NA,"PDBC53727","68929","Present"
-"Sporidesmolide I","","","","","","","","","","","","","","","","","","","","Sporidesmolide I","","CC1CC(=O)NC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)N(C(C(=O)OC1)CC(C)C)C)C(C)C)C(C)C)CC(C)C)C(C)C","CWCLCJUWNJYVCD-UHFFFAOYSA-N","122726",NA,"PDBC53728","122224","Present"
-"Squamocin G","","","","","","","","","","","","","","","","","","","","Bullatacin","","CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O","MBABCNBNDNGODA-TVIWBYDISA-N","5459105",NA,"PDBC53729","615484","Present"
-"Squamone","","","","","","","","","","","","","","","","","","","","Squamone","","CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(=O)CCCCC2CC(C(=O)O2)C(=O)C)O)O","MQBRFDUVPJNHBO-RJHGUPFNSA-N","393476",NA,"PDBC53730","695409","Present"
-"Squoxin","","","","","","","","","","","","","","","","","","","","2-Naphthalenol, 1,1'-methylenebis- (9CI)","","C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)O)O","ZPANWZBSGMDWON-UHFFFAOYSA-N","14187",NA,"PDBC53731","5992","Present"
-"Stacy-S-2-23,26","","","","","","","","","","","","","","","","","","","","Stacy-S-2-23,26","","","","",NA,"PDBC53732","39146","Present"
-"Stains-all","","","","","","","","","","","","","","","","","","","","dbtc","","CCN1C(=CC(=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)C)SC5=C1C6=CC=CC=C6C=C5.[Br-]","MPBRYMWMMKKRGC-UHFFFAOYSA-M","6364602",NA,"PDBC53733","290437","Present"
-"Stallimycin","","","","","","","","","","","","","","","","","","","","dst-a","","CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O","UPBAOYRENQEPJO-UHFFFAOYSA-N","3115",NA,"PDBC53734","82150","Present"
-"Stamicin","","","","","","","","","","","","","","","","","","","","nysert","","CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O","ZYYCHNFSUYYLTP-HWEHLMELSA-N","5458319",NA,"PDBC53735","150817","Present"
-"Stannane, (2,4-dichlorophenoxy)tributyl-","","","","","","","","","","","","","","","","","","","","tri-n-butyl-(2,4-dichlorophenoxy)tin","","CCCC[Sn](CCCC)(CCCC)OC1=C(C=C(C=C1)Cl)Cl","FFQFQPHOBAMGEV-UHFFFAOYSA-M","16683287",NA,"PDBC53736","102980","Present"
-"Stannane, chlorohydroxydiphenyl-","","","","","","","","","","","","","","","","","","","","Stannane, chlorohydroxydiphenyl-","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)Cl.O","KRJAJGBJNNVEAP-UHFFFAOYSA-M","6333579",NA,"PDBC53737","269599","Present"
-"Stannane, dibutyldithiocyanato-","","","","","","","","","","","","","","","","","","","","Stannane, dibutyldithiocyanato-","","CCCC[Sn](CCCC)(SC#N)SC#N","JHZWKDMAVKVNDM-UHFFFAOYSA-L","9569306",NA,"PDBC53738","202858","Present"
-"Stannane, dicyclohexyloxo-","","","","","","","","","","","","","","","","","","","","E0P23WVX51","","C1CCC(CC1)[Sn](=O)C2CCCCC2","QULMZVWEGVTWJY-UHFFFAOYSA-N","31510",NA,"PDBC53739","99148","Present"
-"Stannane, difluorodiphenyl-","","","","","","","","","","","","","","","","","","","","Stannane, difluorodiphenyl-","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(F)F","ONYRMAWSDQTEAL-UHFFFAOYSA-L","294450",NA,"PDBC53740","162818","Present"
-"Stannane, monohydrate","","","","","","","","","","","","","","","","","","","","Stannane, trimethyl(nitrooxy)-, monohydrate","","C[Sn](C)(C)O[N+](=O)[O-]","BIPLBCSVKMJQBW-UHFFFAOYSA-N","16683340",NA,"PDBC53741","166456","Present"
-"Stannane, tributyl(2-methyl-1-oxopropoxy)-","","","","","","","","","","","","","","","","","","","","tri-n-butyltin isobutyrate","","CCCC[Sn-](CCCC)(CCCC)OC(=O)C(C)C","XRKWMPGEQLHRTD-UHFFFAOYSA-M","16686045",NA,"PDBC53742","168607","Present"
-"Stannane, trimethyl[(4-morpholinylthioxomethyl)thio]-","","","","","","","","","","","","","","","","","","","","Stannane, trimethyl[(4-morpholinylthioxomethyl)thio]-","","C[Sn](C)(C)SC(=S)N1CCOCC1","BPWWYWORPYMYIC-UHFFFAOYSA-M","300936",NA,"PDBC53743","176632","Present"
-"Stannane,4,5-trichlorophenoxy)-","","","","","","","","","","","","","","","","","","","","Tributyl(2,4,5-trichlorophenoxy)tin","","CCCC[Sn-](CCCC)(CCCC)OC1=CC(=C(C=C1Cl)Cl)Cl","VSMHISQJZOTNJC-UHFFFAOYSA-M","16686044",NA,"PDBC53744","164914","Present"
-"Stauprimide, >=98% (HPLC)","","","","","","","","","","","","","","","","","","","","[9S-(9-.alpha.-10-.beta.-11-.beta.-13-.alpha.)]-N-(2,3,1...","","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)NC6=O)N(C)C(=O)C9=CC=CC=C9)OC","MQCCJEYZKWZQHU-JTPSWESPSA-N","71311840",NA,"PDBC53745","756058","Present"
-"Stavudine (d4T)","","","","","","","","","","","","","","","","","","","","3'-Deoxy-2'-thymidinene","","CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO","XNKLLVCARDGLGL-UHFFFAOYSA-N","5155",NA,"PDBC53746","163661","Present"
-"Steffimycin","","","","","","","","","","","","","","","","","","","","steffimycin","","CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)O","HWMJTJZEJBSVCG-UHFFFAOYSA-N","66363",NA,"PDBC53747","93419","Present"
-"Steffimycin B sodium","","","","","","","","","","","","","","","","","","","","Steffimycin B sodium","","CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)OC.[Na+]","DVCHEUVQAIVYIX-UHFFFAOYSA-N","5458426",NA,"PDBC53748","204856","Present"
-"Stelazine","","","","","","","","","","","","","","","","","","","","NSC17474///NSC757369","","CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl","RIULCFSTKRDHBX-UHFFFAOYSA-N","2913535",NA,"PDBC53749","17474///757369","Present"
-"Stellettamide B","","","","","","","","","","","","","","","","","","","","Stellettamide B","","CC(CCC=C(C)C)C=CC=C(C)C(=O)CCC1CC[N+]2(C1CCCC2)C.[Cl-]","ZLMQGIWYFHZXSJ-VEGZWIDESA-M","54611427",NA,"PDBC53750","700648","Present"
-"Stendomycin salicylate","","","","","","","","","","","","","","","","","","","","Stendomycin salicylate","","","","",NA,"PDBC53751","122716","Present"
-"Stepharine","","","","","","","","","","","","","","","","","","","","STEPHARINE","","COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC","OGJKMZVUJJYWKO-UHFFFAOYSA-N","98455",NA,"PDBC53752","135069","Present"
-"Stephavanine","","","","","","","","","","","","","","","","","","","","Stephavanine","","COC1=C(C=CC(=C1)C(=O)OC2CC34CCNC35CC(C6=CC7=C(C=C46)OCO7)OC5(C2O)OC)O","BTDVYOKUHWMJJD-UHFFFAOYSA-N","421509",NA,"PDBC53753","135026","Present"
-"Stereoisomer of 672120 (MW=262)","","","","","","","","","","","","","","","","","","","","stereoisomer of 672120 (MW=262)","","CC1=CCCC2(C(O2)C3C(CC1=O)C(=C)C(=O)O3)C","MZDVWXBIIWIBTB-NGFBGBQSSA-N","5459262",NA,"PDBC53754","687011","Present"
-"Stereoisomer of NSC 674066-O","","","","","","","","","","","","","","","","","","","","stereoisomer of nsc 674067-p///stereoisomer of nsc 674066-o","","COC1=CC2=C(C=C1)NC=C2C3C4CCC(C4)C3NCC5=CC(=CC=C5)CNC6C7CCC(C7)C6C8=CNC9=C8C=C(C=C9)OC","URXXLRJJRZBNJE-QNMHIYQMSA-N","384359",NA,"PDBC53755","674066///674067","Present"
-"Sterigmatocystin","","","","","","","","","","","","","","","","","","","","sterigmatocystin","","COC1=C2C(=C3C4C=COC4OC3=C1)OC5=CC=CC(=C5C2=O)O","UTSVPXMQSFGQTM-DCXZOGHSSA-N","5280389",NA,"PDBC53756","204985","Present"
-"Sterol sulphate","","","","","","","","","","","","","","","","","","","","Sterol sulphate","","CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4O)OS(=O)(=O)O)C)C","QZLJWLSUXOQTNU-ZGETZVIFSA-N","362386",NA,"PDBC53757","626156","Present"
-"Stictic acid","","","","","","","","","","","","","","","","","","","","stictic acid","","CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)OC","SKCUFZLDTAYNBZ-UHFFFAOYSA-N","73677",NA,"PDBC53758","87511","Present"
-"Stilbazium iodide","","","","","","","","","","","","","","","","","","","","monopar","","CC[N+]1=C(C=CC=C1C=CC2=CC=C(C=C2)N3CCCC3)C=CC4=CC=C(C=C4)N5CCCC5.[I-]","BYIRBDUHSVOFLU-UHFFFAOYSA-M","6433387",NA,"PDBC53759","89239","Present"
-"Stilbene, alpha-ethyl-4,4'-dimethoxy-","","","","","","","","","","","","","","","","","","","","GDNNLCVGDNIIBD-FYWRMAATSA-N","","CCC(=CC1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC","GDNNLCVGDNIIBD-FYWRMAATSA-N","5377805",NA,"PDBC53760","658944","Present"
-"Stipiamide","","","","","","","","","","","","","","","","","","","","Stipiamide","","CC(CCC1=CC=CC=C1)C=C(C)C(C(C)C=C(C)C=CC=CC=CC=C(C)C(=O)NC(C)CO)O","LCADVYTXPLBAGB-AUQKUMLUSA-N","5467322",NA,"PDBC53761","650717","Present"
-"Straital B","","","","","","","","","","","","","","","","","","","","Straital B","","CC(C)C1=C2C3C(C=C(C4C(C3(CCC2(CC1)C)C)OC5C4(C(=O)C(CO5)OC(=O)C)O)C=O)O","XEYRAYPCKBTMBS-QSNZRAQQSA-N","329431",NA,"PDBC53762","312033","Present"
-"Streptidine sulfate","","","","","","","","","","","","","","","","","","","","Streptidine sulfate","","C1(C(C(C(C(C1O)O)O)N=C(N)N)O)N=C(N)N.OS(=O)(=O)O","JXOXNSAQCGKPLP-UHFFFAOYSA-N","227248",NA,"PDBC53763","18695","Present"
-"Streptimidone","","","","","","","","","","","","","","","","","","","","streptimidone","","CC(C=C(C)C=C)C(=O)CC(CC1CC(=O)NC(=O)C1)O","ZRYKVDWGQVQRPG-RUMBLXRPSA-N","5351572",NA,"PDBC53764","66645","Present"
-"Streptonigrin","","","","","","","","","","","","","","","","","","","","NSC45383///NSC83950","","CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O","PVYJZLYGTZKPJE-UHFFFAOYSA-N","5298",NA,"PDBC53765","45383///83950","Present"
-"Streptonigrin analog (MeO-N3)","","","","","","","","","","","","","","","","","","","","Streptonigrin analog (MeO-N3)","","COC1=C(C(=O)C2=C(C1=O)C=CC=N2)N=[N+]=[N-]","YRYFUSNXXXSWDJ-UHFFFAOYSA-N","494043",NA,"PDBC53766","81052","Present"
-"Streptonigrin analog (etnh)","","","","","","","","","","","","","","","","","","","","Streptonigrin analog (EtNH)","","CCNC1=CC(=O)C2=C(C1=O)C=CC=N2","VWEKWMGFJIZVNQ-UHFFFAOYSA-N","324770",NA,"PDBC53767","291094","Present"
-"Streptorubrin","","","","","","","","","","","","","","","","","","","","Streptorubrin","","","","",NA,"PDBC53768","76779","Present"
-"Streptoval C","","","","","","","","","","","","","","","","","","","","Streptoval C","","CC1C(C(C(OC1O)C(C)C(C(C)C=CC=C(C)C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(OCO4)C(=CC(=O)C)C)C)OC(=O)C)C)O)C(=O)OC)O","MIUJOEGCYRFQIS-VWSKNAGGSA-N","135443562",NA,"PDBC53769","169627","Present"
-"Streptovaricin A","","","","","","","","","","","","","","","","","","","","NSC189793///NSC48810","","CC1C(C(C(C(C(C(C=C(C2=C3C4=C(C(=C(C(=C4C(=O)C(=C3OCO2)C)O)NC(=O)C(=CC=CC(C1O)(C)O)C)C)OC(=O)C)C)(C)O)O)C)OC(=O)C)C(=O)OC)O","DAQTVVQVNADAHI-JKSDWACGSA-N","135408540",NA,"PDBC53770","189793///48810","Present"
-"Streptovaricin A diacetate","","","","","","","","","","","","","","","","","","","","Streptovaricin A diacetate","","CC1C(C(C(C(C(C(C=C(C2=C3C4=C(C(=C(C(=C4C(=O)C(=C3OCO2)C)O)NC(=O)C(=CC=CC(C1O)(C)O)C)C)OC(=O)C)C)(C)O)O)C)OC(=O)C)C(=O)OC)O.CC(=O)O","FIZACHYXTXGTRG-KBSUHSCDSA-N","135539673",NA,"PDBC53771","210761","Present"
-"Streptovaricin C triacetate","","","","","","","","","","","","","","","","","","","","Streptovaricin C triacetate","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)(C)O)C)OCO4)C)OC(=O)C)C)C.CC(=O)O","ZTKBNCHRIWQUSM-DPYVROLHSA-N","135491148",NA,"PDBC53772","210760","Present"
-"Streptovaricin D","","","","","","","","","","","","","","","","","","","","streptovaricin d","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)C)C)OCO4)C)OC(=O)C)C)C","SFIMJDKEAAKAPV-IRFVLPQXSA-N","135443623",NA,"PDBC53773","156216","Present"
-"Streptovaricin E","","","","","","","","","","","","","","","","","","","","Streptovaricin E","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1=O)C)O)C(=O)OC)O)C)O)(C)O)C)OCO4)C)OC(=O)C)C)C","QFWPUJUVXCUSSX-UBBKACLCSA-N","135459422",NA,"PDBC53774","156217","Present"
-"Streptovaricin F","","","","","","","","","","","","","","","","","","","","Streptovaricin F","","CC1C(C2C(C(C(C(C=CC=C(C(=O)NC3=C(C(=C4C(=C3O)C(=O)C(=C5C4=C(C(=CC(C1O)(C)O)C)OCO5)C)OC(=O)C)C)C)(C)O)OC2=O)C)O)O","LMKBJVKXRKQNGU-ZJTMBGIFSA-N","135539461",NA,"PDBC53775","156218","Present"
-"Streptovaricin G","","","","","","","","","","","","","","","","","","","","Streptovaricin G","","CC1C(C(C(C(C(C(C=C(C2=C3C4=C(C(=C(C(=C4C(=O)C(=C3OCO2)C)O)NC(=O)C(=CC=CC(C1O)(C)O)C)C)OC(=O)C)C)(C)O)O)C)O)C(=O)OC)O","VFWVBAYZDJRDPD-ZWRKCCFBSA-N","135459423",NA,"PDBC53776","156219","Present"
-"Streptovaricin complex, fraction b","","","","","","","","","","","","","","","","","","","","Streptovaricin B","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1O)C)O)C(=O)OC)OC(=O)C)C)O)(C)O)C)OCO4)C)OC(=O)C)C)C","IGDMPTXQUGESNO-HVYWSWGMSA-N","135443622",NA,"PDBC53777","156215","Present"
-"Streptovaricinoic acid, methyl ester","","","","","","","","","","","","","","","","","","","","streptovaricin c","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)(C)O)C)OCO4)C)OC(=O)C)C)C","JDECNKBYILMOLE-UBBKACLCSA-N","135431273",NA,"PDBC53778","19990","Present"
-"Streptovitacin A","","","","","","","","","","","","","","","","","","","","resactin a","","CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)O","NFDQYBUVHVRNNY-UHFFFAOYSA-N","91467",NA,"PDBC53779","39147","Present"
-"Strictic acid","","","","","","","","","","","","","","","","","","","","Strictic acid","","CC1CCC(=C)C(=CC=CCC1(C)CCC2=COC=C2)C(=O)O","PHJADXZUQNOLEH-VEUUUYJLSA-N","5469447",NA,"PDBC53780","688240","Present"
-"Strobopinin-7-methylether","","","","","","","","","","","","","","","","","","","","Strobopinin-7-methylether","","CC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)OC","MJPLGHSVCRZIQU-UHFFFAOYSA-N","369597",NA,"PDBC53781","641478","Present"
-"Strophanthidin, oxime","","","","","","","","","","","","","","","","","","","","Strophanthidin oxime","","CC12CCC3C(C1(CCC2C4=COC(=O)C4)O)CCC5(C3(CCC(C5)O)C=NO)O","SLLODQQGCJRULY-YVEDNZMPSA-N","6440906",NA,"PDBC53782","93373","Present"
-"Strophanthidol","","","","","","","","","","","","","","","","","","","","Strophanthidol","","CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)CO)O","ZNDMLUUNNNHNKC-HZXDTFASSA-N","258412",NA,"PDBC53783","87314","Present"
-"Strophanthin K","","","","","","","","","","","","","","","","","","","","strophanthin","","CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)CO)O)O)O","FHIREUBIEIPPMC-UHFFFAOYSA-N","220861",NA,"PDBC53784","4320","Present"
-"Strophanthoside-K","","","","","","","","","","","","","","","","","","","","strophanthoside-k","","CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O","GILGYKHFZXQALF-MLNDFHCFSA-N","44891382",NA,"PDBC53785","7530","Present"
-"Strychnine N-oxide","","","","","","","","","","","","","","","","","","","","Genostrychnine","","C1C[N+]2(CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75)[O-]","ADTDBAKUQAKBGZ-VXJIXCKJSA-N","73393",NA,"PDBC53786","24951","Present"
-"Strychnine, 11-benzylidene","","","","","","","","","","","","","","","","","","","","Strychnine, 11-benzylidene","","C1CN2CC3=CCOC4C5C3CC2C16C5N(C7=CC=CC=C67)C(=O)C4=CC8=CC=CC=C8","IBBIDRLVXCGALA-ZHZULCJRSA-N","5381711",NA,"PDBC53787","121868","Present"
-"Strychninic acid","","","","","","","","","","","","","","","","","","","","Strychninic acid","","C1CN2CC3=CCOC(C4C3CC2C15C4NC6=CC=CC=C56)CC(=O)O","SQIFUSVCLFHGOI-UHFFFAOYSA-N","275189",NA,"PDBC53788","121860","Present"
-"Strychnofendlerine","","","","","","","","","","","","","","","","","","","","Strychnofendlerine","","CC1C2CN(CCC34C(C(C2CC3=O)CO1)N(C5=CC=CC=C45)C(=O)C)C","FMZMLKGLGADCPQ-UHFFFAOYSA-N","327292",NA,"PDBC53789","301744","Present"
-"Strychnopentamine","","","","","","","","","","","","","","","","","","","","C35H43N5O","","CN1CCCC1C2=C(C=CC3=C2NC4=C3CCN5C4CC(C(C5)C=C)CC6C7=C(CCN6C)C8=CC=CC=C8N7)O","PHLJPJICTIGOKC-XKYMZAEISA-N","6712640",NA,"PDBC53790","703770","Present"
-"Strychochrysine","","","","","","","","","","","","","","","","","","","","Strychochrysine","","CCC1=C[N+]2=C(C=C1C3=CN4C5C(C3O)C6CC7C5(CCN7CC6=CCO)C8=CC=CC=C84)C9=C(CC2)C1=CC=CC=C1N9","QXXYTXDTJHCEMI-KQSYCOFHSA-O","5470732",NA,"PDBC53791","704824","Present"
-"Stubomycin","","","","","","","","","","","","","","","","","","","","stubomycin","","CC1=CC2CC(C(=C2C(=O)CC(CCC=CCC(NC(=O)C=CC=C1)C3=CC=CC=C3)O)O)OC","PLQKHNPZPRTISL-KRZXCKFYSA-N","54598584",NA,"PDBC53792","343256","Present"
-"Stylatulide","","","","","","","","","","","","","","","","","","","","STYLATULIDE","","CC1C2C(C(C(=C)CCC(C3(C(CC4C(C3C2OC(=O)C)(O4)C)OC(=O)C)C)OC(=O)C)Cl)OC1=O","ALCDJXWWURFGPE-UHFFFAOYSA-N","323968",NA,"PDBC53793","287457","Present"
-"Styryl 1-naphthyl ketone","","","","","","","","","","","","","","","","","","","","Styryl 1-naphthyl ketone","","C1=CC=C(C=C1)C=CC(=O)C2=CC=CC3=CC=CC=C32","RSYVUCWGXLBPOV-BUHFOSPRSA-N","5925559",NA,"PDBC53794","38795","Present"
-"Suberosin","","","","","","","","","","","","","","","","","","","","Suberosin","","CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C","RSZDAYHEZSRVHS-UHFFFAOYSA-N","68486",NA,"PDBC53795","31869","Present"
-"Succinamidoxime","","","","","","","","","","","","","","","","","","","","Succinamidoxime","","C(CC(=NO)N)C(=NO)N","LHYIWYMOHCIQRH-UHFFFAOYSA-N","5354578",NA,"PDBC53796","13996","Present"
-"Succinimide, 3-chloro-N-(p-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","",".alpha.-Chloro-N-(p-methoxyphenyl)succinimide","","COC1=CC=C(C=C1)N2C(=O)CC(C2=O)Cl","UKFITXSLZKBHSN-UHFFFAOYSA-N","99724",NA,"PDBC53797","191909","Present"
-"Succinolide","","","","","","","","","","","","","","","","","","","","Succinolide","","CC1CCCC(=CCCC2(C(O2)CC3C(C1=O)OC(=O)C3=C)C)C","FGMVUGQMSRSYDL-UROCBLQDSA-N","5469752",NA,"PDBC53798","692194","Present"
-"Sudan I","","","","","","","","","","","","","","","","","","","","NSC11227///NSC51524","","C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O","MRQIXHXHHPWVIL-UHFFFAOYSA-N","13297",NA,"PDBC53799","11227///51524","Present"
-"Sudan II","","","","","","","","","","","","","","","","","","","","rot b","","CC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O)C","JBTHDAVBDKKSRW-UHFFFAOYSA-N","18386",NA,"PDBC53800","10457","Present"
-"Sudan III","","","","","","","","","","","","","","","","","","","","rot c","","C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O","FHNINJWBTRXEBC-UHFFFAOYSA-N","62331",NA,"PDBC53801","8995","Present"
-"Sudan Red B","","","","","","","","","","","","","","","","","","","","sudan red b","","CC1=CC(=CC=C1)N=NC2=C(C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O)C","NHXXLZBKTKNTEF-UHFFFAOYSA-N","99631",NA,"PDBC53802","252816","Present"
-"Suillin","","","","","","","","","","","","","","","","","","","","Suillin","","CC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1O)O)OC(=O)C)C)C)C)C","TVYGOMSIBBSIKO-MLAGYPMBSA-N","5387599",NA,"PDBC53803","625110","Present"
-"Sulbentine","","","","","","","","","","","","","","","","","","","","mecal","","C1N(CSC(=S)N1CC2=CC=CC=C2)CC3=CC=CC=C3","QFVAWNPSRQWSDU-UHFFFAOYSA-N","67686",NA,"PDBC53804","150555","Present"
-"Sulconazole nitrate","","","","","","","","","","","","","","","","","","","","sulconazole nitrate (usan)","","C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]","CRKGMGQUHDNAPB-UHFFFAOYSA-N","65495",NA,"PDBC53805","757849","Present"
-"Sulfacytine","","","","","","","","","","","","","","","","","","","","renoquid","","CCN1C=CC(=NC1=O)NS(=O)(=O)C2=CC=C(C=C2)N","SIBQAECNSSQUOD-UHFFFAOYSA-N","5322",NA,"PDBC53806","356717","Present"
-"Sulfamethoxazole hydroxylamine","","","","","","","","","","","","","","","","","","","","Hydroxylamine of sulfamethoxazole [3-(4-hydroxylamino ph...","","CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO","MJAMPGKHIZXVFJ-UHFFFAOYSA-N","114821",NA,"PDBC53807","665547","Present"
-"Sulfanilanilide, 4'-(9-acridinylamino)-","","","","","","","","","","","","","","","","","","","","4'-(9-acridinylamino)sulfanilanilide, monohydrochloride","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)N","VJNNPHQBMGZVQG-UHFFFAOYSA-N","148802",NA,"PDBC53808","140701","Present"
-"Sulfanilic acid, N-(amidinoamidino)-","","","","","","","","","","","","","","","","","","","","wln: wsqr dmyum&myzum","","C1=CC(=CC=C1N=C(N)N=C(N)N)S(=O)(=O)O","MURZSIQUBHOHPQ-UHFFFAOYSA-N","80819",NA,"PDBC53809","17580","Present"
-"Sulfatinib","","","","","","","","","","","","","","","","","","","","Sulfatinib","","CC1=CC2=C(N1)C=CC(=C2)OC3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)NCCN(C)C","TTZSNFLLYPYKIL-UHFFFAOYSA-N","52920501",NA,"PDBC53810","797937","Present"
-"Sulfide,4-dinitrophenyl 2-nitro-p-tolyl","","","","","","","","","","","","","","","","","","","","sulfide, 2,4-dinitrophenyl 2-nitro-p-tolyl","","CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","PZRYEIXLMWQMAM-UHFFFAOYSA-N","259746",NA,"PDBC53811","90137","Present"
-"Sulfiram","","","","","","","","","","","","","","","","","","","","Sulfiram","","CCN(CC)C(=S)SC(=S)N(CC)CC","CTPKSRZFJSJGML-UHFFFAOYSA-N","7215",NA,"PDBC53812","36731","Present"
-"Sulfonaphtholazoresorcinol","","","","","","","","","","","","","","","","","","","","Sulfonaphtholazoresorcinol","","C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C(C=C(C=C3)O)O)O)S(=O)(=O)O","JQBUVPRAKRZKRZ-UHFFFAOYSA-N","85517",NA,"PDBC53813","87862","Present"
-"Sulfone, bis(2-bromoethyl)","","","","","","","","","","","","","","","","","","","","Sulfone, bis(2-bromoethyl) (8CI)","","C(CBr)S(=O)(=O)CCBr","JASUZIAETLGSCB-UHFFFAOYSA-N","139052",NA,"PDBC53814","84172","Present"
-"Sulfonium, salt with 4-methylbenzenesulfonic acid (1:1)","","","","","","","","","","","","","","","","","","","","Sulfonium, dimethyltetradecyl-, salt with 4-methylbenzen...","","CCCCCCCCCCCCCC[S+](C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]","XPKKHLWELALBPN-UHFFFAOYSA-M","24194318",NA,"PDBC53815","166616","Present"
-"Sulfonyl-bis-N(p-phenylene)-4'-(carboxy)phtalimide","","","","","","","","","","","","","","","","","","","","Sulfonyl-bis-N(p-phenylene)-4'-(carboxy)phtalimide","","C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O","JVESSQOPBQIZIV-UHFFFAOYSA-N","363538",NA,"PDBC53816","628499","Present"
-"Sulfoquinovoside","","","","","","","","","","","","","","","","","","","","Sulfoquinovoside","","CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]","ZJZCMDVKJVQZOK-UHFFFAOYSA-N","54607989",NA,"PDBC53817","623619","Present"
-"Sulfuric acid--(2Z)-5-[2-(dimethylamino)ethoxy]-2-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]-2,3-dihydro-1H-inden-1-one (1/1)","","","","","","","","","","","","","","","","","","","","1H-Inden-1-one, 5-[2-(dimethylamino)ethoxy]-2,3-dihydro-...","","CN1C(=CN=C1C=C2CC3=C(C2=O)C=CC(=C3)OCCN(C)C)[N+](=O)[O-].OS(=O)(=O)O","PCRONZAAPGAOHT-ALUHPYBCSA-N","54607375",NA,"PDBC53818","277181","Present"
-"Sulfuric acid--N~1~,N~1~-diethyl-N~3~-[(2-phenylquinolin-4-yl)methyl]propane-1,3-diamine (1/1)","","","","","","","","","","","","","","","","","","","","N',N'-Diethyl-N-[(2-phenylquinolin-4-yl)methyl]propane-1,3-diamine;sulfuric acid","","CCN(CC)CCCNCC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3.OS(=O)(=O)O","SFPDEGBVWNQOSH-UHFFFAOYSA-N","54602013",NA,"PDBC53819","13318","Present"
-"Sulfuric acid--N~3~-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N~1~,N~1~-diethylpropane-1,3-diamine (1/1)","","","","","","","","","","","","","","","","","","","","N-[(7-Chloro-2-phenylquinolin-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;sulfuric acid","","CCN(CC)CCCNCC1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=CC=C3.OS(=O)(=O)O","OQIPMLRHROGRPE-UHFFFAOYSA-N","54609285",NA,"PDBC53820","13317","Present"
-"Sulindac-1-(3-butinyl)-ester","","","","","","","","","","","","","","","","","","","","Sulindac-1-(3-butinyl)-ester","","CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)OCCC#C","WNBOCPPZOTXHHM-BKUYFWCQSA-N","5469497",NA,"PDBC53821","689149","Present"
-"Sulofenur","","","","","","","","","","","","","","","","","","","","NSC642684///Sulofenur","","C1CC2=C(C1)C=C(C=C2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl","JQJSFAJISYZPER-UHFFFAOYSA-N","60417",NA,"PDBC53822","642684///656667","Present"
-"Sungucin","","","","","","","","","","","","","","","","","","","","Sungucin","","CC=C1CN2CCC34C2CC1C5C3N(C6=CC=CC=C46)C(=O)C(=C5)C7CC89C1N7CC(=CC)C(C1)C1C8N(C(=O)C=C1)C1=CC=CC=C91","VCDMHIARBYKHSB-JMKAPJPZSA-N","54600645",NA,"PDBC53823","325308","Present"
-"Superstolide A","","","","","","","","","","","","","","","","","","","","superstolide a","","CC1C=CC(=CC2C=CC3C(C2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)CC(CC3OC(=O)N)OC)C","ZHDISDMFKHVMGN-ZFDTYWKFSA-N","10258400",NA,"PDBC53824","680074","Present"
-"Superstolide B","","","","","","","","","","","","","","","","","","","","superstolide b","","CC1C=CC(=CC2C=CC3C(C2(C=CC(=CC=CC(=O)OC1C(=CC(C)NC(=O)C)C)C)C)CC(CC3OC(=O)N)OC)C","MLNSAHTXSCMXCL-LBDGXWEBSA-N","54603534",NA,"PDBC53825","680075","Present"
-"Supinoxin","","","","","","","","","","","","","","","","","","","","4-(3, 5-dimethoxyphenyl)-N-(7-fluoro-3-methoxyquinoxalin...///RX-5902","","COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=NC4=C(C=CC(=C4)F)N=C3OC)OC","KAKPGJJRYRYSTP-UHFFFAOYSA-N","11619093",NA,"PDBC53826","779374///793148","Present"
-"Suramin","","","","","","","","","","","","","","","","","","","","naganol","","CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C","FIAFUQMPZJWCLV-UHFFFAOYSA-N","5361",NA,"PDBC53827","34936","Present"
-"Surangin C","","","","","","","","","","","","","","","","","","","","Surangin C","","CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)O)O)CC=C(C)CCC=C(C)C)O","PVNISOOZUQFLJH-FOWTUZBSSA-N","5386468",NA,"PDBC53828","611357","Present"
-"Surfen hydrate","","","","","","","","","","","","","","","","","","","","1,3-bis(4-amino-2-methylquinolin-6-yl)urea, dihydrochloride","","CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N.Cl","WKWQKPOJSGLGLI-UHFFFAOYSA-N","9909403",NA,"PDBC53829","12155","Present"
-"Suvanine","","","","","","","","","","","","","","","","","","","","Suvanine","","CC1(CCCC2(C1CCC3(C2CCC(=COS(=O)(=O)[O-])C3CCC4=COC=C4)C)C)C.C[N+](=C(N)N)C","MUGYGAQKMRBEQJ-XIQNFGBKSA-N","5459087",NA,"PDBC53830","613010","Present"
-"Swainsonine","","","","","","","","","","","","","","","","","","","","SWAINSONINE","","C1CC(C2C(C(CN2C1)O)O)O","FXUAIOOAOAVCGD-WCTZXXKLSA-N","51683",NA,"PDBC53831","614553","Present"
-"Swainsonine-8-alpha-D-glucoside","","","","","","","","","","","","","","","","","","","","Swainsonine-8-.alpha.-D-glucoside","","C1CC(C2C(C(CN2C1)O)O)OC3C(C(C(C(O3)CO)O)O)O","BPDXJDWXSZCGTM-KKOBTBPCSA-N","6711821",NA,"PDBC53832","643928","Present"
-"Swazine","","","","","","","","","","","","","","","","","","","","Swazine","","CC1C(=C)C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C14CO4)(C)O","WRPOYLQBTYIKSB-UHFFFAOYSA-N","279070",NA,"PDBC53833","129230","Present"
-"Sydnone, 3,3'-tetramethylenedi- (8CI)","","","","","","","","","","","","","","","","","","","","Sydnone, 3,3'-tetramethylenedi- (8CI)","","C1=C(ON=[N+]1CCCC[N+]2=NOC(=C2)[O-])[O-]","VQGVXYMXWMPEBD-UHFFFAOYSA-N","543701",NA,"PDBC53834","54672","Present"
-"Sylvaticin","","","","","","","","","","","","","","","","","","","","Sylvaticin","","CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O","HKMBLJVHVBJAIH-PNBHAQCBSA-N","393473",NA,"PDBC53835","695406","Present"
-"Symetamine","","","","","","","","","","","","","","","","","","","","SYMETAMINE","","CN=C(C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)C(=NC3=CC=C(C=C3)C(=NC)N)N)N)N.Cl","FZDQLVGKBSJVPZ-UHFFFAOYSA-N","24186993",NA,"PDBC53836","57155","Present"
-"Synergin","","","","","","","","","","","","","","","","","","","Synergin","","","","","",NA,"PDBC53837","","Absent"
-"T-2 Mycotoxin","","","","","","","","","","","","","","","","","","","","insariotoxin","","CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C","BXFOFFBJRFZBQZ-PPFYZKLNSA-N","6711181",NA,"PDBC53838","138780","Present"
-"T5741887","","","","","","","","","","","","","","","","","","","","T5741887","","C1C2=CC=CC=C2C(=O)C1=CC3=CC=CC=C3[N+](=O)[O-]","CVCZIDNJPIBPLJ-JLHYYAGUSA-N","2697149",NA,"PDBC53839","150220","Present"
-"TAK Plk inhibitor","","","","","","","","","","","","","","","","","","","","TAK Plk inhibitor","","CCC1C2=C(N=CN2C3=CN=C(N=C3N1C4CCCC4)NC5=C(C=C(C=C5)C(=O)NC6CCN(CC6)C7CCN(CC7)CC8CC8)OC)C#N","JYNWIXVRZLBHGY-JGCGQSQUSA-N","59252140",NA,"PDBC53840","762418","Present"
-"TAK-960","","","","","","","","","","","","","","","","","","","","TAK-960","","CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC","GWRSATNRNFYMDI-UHFFFAOYSA-N","53357478",NA,"PDBC53841","768072","Present"
-"TAS-115","","","","","","","","","","","","","","","","","","","","TAS-115","","CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)F","ORRNXRYWGDUDOG-UHFFFAOYSA-N","44247727",NA,"PDBC53842","785306","Present"
-"TAS-115 hydrochloride","","","","","","","","","","","","","","","","","","","","TAS-115 hydrochloride","","","","",NA,"PDBC53843","785307","Present"
-"TAS-6417","","","","","","","","","","","","","","","","","","","","TAS-6417","","CC1=CC(CN2C1=C(C3=C(N=CN=C32)N)C4=CC5=CC=CC=C5N=C4)NC(=O)C=C","MKCYPWYURWOKST-INIZCTEOSA-N","117918742",NA,"PDBC53844","812926","Present"
-"TC-172438","","","","","","","","","","","","","","","","","","","","TC-172438","","C1=CSC(=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","QZLINQZBUKTXIZ-BQYQJAHWSA-N","5377530",NA,"PDBC53845","657760","Present"
-"TC3","","","","","","","","","","","","","","","","","","","","TC3","","CC(C1CCC2C1(CCC3C2C4C(O4)C5(C3(C(=O)C=CC5)C)O)C)C6CC7(C(O7)(C(=O)O6)C)C","HMAKYIOVUKVWAW-UGJTWAQDSA-N","398798",NA,"PDBC53846","708934","Present"
-"TC6","","","","","","","","","","","","","","","","","","","","TC6","","CC(C1CCC2C1(CCC3C2C4C(O4)C5(C3(C(=O)C=CC5)C)O)C)C6CC(C(C(O6)O)(C)O)(C)O","NQCJXUPNOLFUAM-JFCRYMRPSA-N","398799",NA,"PDBC53847","708935","Present"
-"TCMDC-123481","","","","","","","","","","","","","","","","","","","","TCMDC-123481","","C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=CC=CC=C54","HRZIUWCIBGIRCS-UHFFFAOYSA-N","364462",NA,"PDBC53848","630723","Present"
-"TCMDC-124122","","","","","","","","","","","","","","","","","","","","TCMDC-124122","","CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCCC4","CRHJORBLGKSOEK-UHFFFAOYSA-N","403088",NA,"PDBC53849","717560","Present"
-"TCMDC-142279","","","","","","","","","","","","","","","","","","","","TCMDC-142279","","CCCCN(CCCC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl","DWVWLXMHPSALFO-UHFFFAOYSA-N","459702",NA,"PDBC53850","13055","Present"
-"TDP-665759","","","","","","","","","","","","","","","","","","","","TDP-665759","","CC(C1=C(C=C(C=C1)Cl)N)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)I)CCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl","NUKCQDDVORQLDB-OLILMLBXSA-N","11571200",NA,"PDBC53851","754358","Present"
-"TETRACENOMYCIN C, HEXY-CARBONYL-ALANYL-","","","","","","","","","","","","","","","","","","","","TETRACENOMYCIN C, HEXY-CARBONYL-ALANYL-","","","","",NA,"PDBC53852","354439","Present"
-"TEUPENSIN","","","","","","","","","","","","","","","","","","","","TEUPENSIN","","","","",NA,"PDBC53853","353849","Present"
-"TEX","","","","","","","","","","","","","","","","","","","","TEX","","C12C3N(C4C(N1[N+](=O)[O-])OC(O4)C(O2)O3)[N+](=O)[O-]","XXEQEMFCUFXLME-UHFFFAOYSA-N","370572",NA,"PDBC53854","643817","Present"
-"TG-100801","","","","","","","","","","","","","","","","","","","","TG-100801","","CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)Cl","JMGXJHWTVBGOKG-UHFFFAOYSA-N","11973736",NA,"PDBC53855","800948","Present"
-"TGF .beta.1","","","","","","","","","","","","","","","","","","","","TGF .beta.1","","","","",NA,"PDBC53856","627480","Present"
-"TGF.alpha.-PE40","","","","","","","","","","","","","","","","","","","","TGF.alpha.-PE40","","","","",NA,"PDBC53857","623436","Present"
-"TGG-II-33A","","","","","","","","","","","","","","","","","","","","TGG-II-33A","","CC1(COC(=N1)C2(C3=CC=CC=C3C(=O)C=C2OC)C)C","NCSACWQKNNBSQT-UHFFFAOYSA-N","370783",NA,"PDBC53858","644306","Present"
-"TGG-II-45A","","","","","","","","","","","","","","","","","","","","TGG-II-45A","","CC(C)C1=CC(=O)C(C2=CC=CC=C21)(C)C3=NC(CO3)(C)C","DZQZKIGAIWYMGM-UHFFFAOYSA-N","370784",NA,"PDBC53859","644307","Present"
-"TGG-II-45B","","","","","","","","","","","","","","","","","","","","TGG-II-45B","","CC1(COC(=N1)C2(C3=CC=CC=C3C(=CC2=O)C4=CC=CC=C4)C)C","VYLXWWMRTUUXCA-UHFFFAOYSA-N","370787",NA,"PDBC53860","644310","Present"
-"THIAZOLE DERIVATIVE","","","","","","","","","","","","","","","","","","","","THIAZOLE DERIVATIVE","","C1=C(C(=CC(=C1F)Cl)Cl)C2=CSC3=NNC(=S)N23","CNQUCORFUAJDRF-UHFFFAOYSA-N","24203525",NA,"PDBC53861","728433","Present"
-"THOS Streptonigrin","","","","","","","","","","","","","","","","","","","","ipas","","CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=C(C4=NC(N=C34)(C)C)OC)O)N)C5=C(C(=C(C=C5)OC)OC)O","SQQXRXKYTKFFSM-UHFFFAOYSA-N","247673",NA,"PDBC53862","62709","Present"
-"THP-adriamycin HCl","","","","","","","","","","","","","","","","","","","","pirarubicin hcl","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC6CCCCO6.Cl","ZPHYPKKFSHAVOE-XFQXKDBGSA-N","11970024",NA,"PDBC53863","654509","Present"
-"THZ-1","","","","","","","","","","","","","","","","","","","","THZ-1","","CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl","OBJNFLYHUXWUPF-IZZDOVSWSA-N","73602827",NA,"PDBC53864","825089","Present"
-"THZ-531 HCl","","","","","","","","","","","","","","","","","","","","THZ-531 HCl","","CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl","RUBYHLPRZRMTJO-MOVYNIQHSA-N","118025540",NA,"PDBC53865","821656","Present"
-"TILIACORININ","","","","","","","","","","","","","","","","","","","","TILIACORININ","","CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)O)C6=C(C=C(CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)C=C6)OC","PQJUAFOFVNRFTF-UHFFFAOYSA-N","435969",NA,"PDBC53866","379957","Present"
-"TOB-13","","","","","","","","","","","","","","","","","","","","TOB-13","","CC1(C2=C(CCN1)C3=CC=CC=C3N2)C(=O)OC","SKAHIUROFYZNQA-UHFFFAOYSA-N","149110",NA,"PDBC53867","647143","Present"
-"TOD100912","","","","","","","","","","","","","","","","","","","","TOD100912","","CC1=CC=C(C=C1)NC(=O)CCC2=NNC(=S)O2","KJLLPJHOFKZHDT-UHFFFAOYSA-N","3004209",NA,"PDBC53868","636110","Present"
-"TP-0903","","","","","","","","","","","","","","","","","","","","TP-0903","","CN1CCN(CC1)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)N(C)C)Cl","YUAALFPUEOYPNX-UHFFFAOYSA-N","56839178",NA,"PDBC53869","798200","Present"
-"TP-3654","","","","","","","","","","","","","","","","","","","","TP-3654","","CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O","XRNVABDYQLHODA-UHFFFAOYSA-N","66598080",NA,"PDBC53870","805149","Present"
-"TP-Saponins","","","","","","","","","","","","","","","","","","","","TP-Saponins","","","","",NA,"PDBC53871","639636","Present"
-"TP38-279","","","","","","","","","","","","","","","","","","","","TP38-279","","","","",NA,"PDBC53872","676496","Present"
-"TP4EK","","","","","","","","","","","","","","","","","","","","TP4EK","","","","",NA,"PDBC53873","676497","Present"
-"TP4EK-K6","","","","","","","","","","","","","","","","","","","","TP4EK-K6","","","","",NA,"PDBC53874","676498","Present"
-"TPP(4-Cl)4","","","","","","","","","","","","","","","","","","","","TPP(4-Cl)4","","C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C=C4)C9=CC=C(C=C9)Cl)N3)Cl","KLMHOLCGHWVPMP-UHFFFAOYSA-N","135403279",NA,"PDBC53875","670858","Present"
-"TRENCAM","","","","","","","","","","","","","","","","","","","","TRENCAM","","C1=CC(=C(C(=C1)O)O)C(=O)NCCN(CCNC(=O)C2=C(C(=CC=C2)O)O)CCNC(=O)C3=C(C(=CC=C3)O)O","ZSTXLRNCUHUSRX-UHFFFAOYSA-N","391974",NA,"PDBC53876","691696","Present"
-"TUVGMWBBMPIYOD-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","TUVGMWBBMPIYOD-UHFFFAOYSA-N","","CC1=CC(=C(C=C1C(=O)CC2=CC(=C(C=C2)OC)OC)OC)OC","TUVGMWBBMPIYOD-UHFFFAOYSA-N","371217",NA,"PDBC53877","645266","Present"
-"TYUUFIAXAXBDLC-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","TYUUFIAXAXBDLC-UHFFFAOYSA-N","","CCOC(=O)C(C(F)(F)F)(NC1=NC=CC=N1)NC(=O)OCC","TYUUFIAXAXBDLC-UHFFFAOYSA-N","383677",NA,"PDBC53878","672095","Present"
-"Tabernemontanine","","","","","","","","","","","","","","","","","","","","tabernaemontanin","","CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C","FFVRRQMGGGTQRH-LHYGDETCSA-N","5351950",NA,"PDBC53879","108088","Present"
-"Tacacoside A1","","","","","","","","","","","","","","","","","","","","tacacoside A1","","CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC4C(C(CO4)(CO)O)O)O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)C)(CCC1C9(CC(C(C1(C)CO)OC1C(C(C(C(O1)CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","JSJJUWYDWWCPIF-WVGPRIIESA-N","6712618",NA,"PDBC53880","700652","Present"
-"Tacacoside A2","","","","","","","","","","","","","","","","","","","","Tacacoside A2","","CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC4C(C(C(CO4)O)O)O)O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)C)(CCC1C9(CC(C(C1(C)CO)OC1C(C(C(C(O1)CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","LMHKFUJAONTLDV-DXZDLGIZSA-N","6712615",NA,"PDBC53881","700649","Present"
-"Tacacoside B1","","","","","","","","","","","","","","","","","","","","Tacacoside B1","","CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC4C(C(CO4)(CO)O)O)O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)C)(CCC1C9(CC(C(C1(C)CO)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","IRYCPRPAUYTFMP-DSAJIMBISA-N","6712616",NA,"PDBC53882","700650","Present"
-"Tacacoside B2","","","","","","","","","","","","","","","","","","","","tacacoside B2","","CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC4C(C(C(CO4)O)O)O)O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)C)(CCC1C9(CC(C(C1(C)CO)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","KJAJLLNLFXDVRA-LFUNVFJASA-N","6712619",NA,"PDBC53883","700653","Present"
-"Tacacoside B3","","","","","","","","","","","","","","","","","","","","tacacoside B3","","CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3O)O)OC4C(C(COC4OC(=O)C56CCC(CC5C7=CCC8C(C7(CC6)C)(CCC9C8(CC(C(C9(C)CO)OC1C(C(C(C(O1)CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","IJDAOOSUFFVHNO-JWLDRXIMSA-N","6712620",NA,"PDBC53884","700654","Present"
-"Tacacoside C","","","","","","","","","","","","","","","","","","","","Tacacoside C","","CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3O)O)OC4C(C(COC4OC(=O)C56CCC(CC5C7=CCC8C(C7(CC6)C)(CCC9C8(CC(C(C9(C)CO)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","QUDWGSBCPFWXSW-VLPSKLRTSA-N","6712617",NA,"PDBC53885","700651","Present"
-"Tachpyr","","","","","","","","","","","","","","","","","","","","Tachpyr","","C1C(CC(CC1NCC2=CC=CC=N2)NCC3=CC=CC=N3)NCC4=CC=CC=N4","ILHFCLNOTOJYHF-UHFFFAOYSA-N","399175",NA,"PDBC53886","709598","Present"
-"Taiwanoside B","","","","","","","","","","","","","","","","","","","","Taiwanoside B","","CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4O)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C)C)C)C)C)OC)O","HTIAXOKKJSQNIG-DVJDOZRASA-N","388994",NA,"PDBC53887","684426","Present"
-"Taiwanoside C","","","","","","","","","","","","","","","","","","","","Taiwanoside C","","CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C)C)C)C)C)OC)O","LEQNEABVKZQJMW-CVTJNRBCSA-N","388995",NA,"PDBC53888","684427","Present"
-"Taiwanoside D","","","","","","","","","","","","","","","","","","","","Taiwanoside D","","CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4O)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C=CC9=CC=CC=C9)C)C)C)C)OC)O","NYJIMZRTBXHQKC-QQJUKXCMSA-N","5469230",NA,"PDBC53889","684428","Present"
-"Tak-243","","","","","","","","","","","","","","","","","","","","MLN-7243","","C1C(C(C(C1NC2=CC=NC3=CC(=NN23)C4=CC(=CC=C4)SC(F)(F)F)O)O)COS(=O)(=O)N","KJDAGXLMHXUAGV-DGWLBADLSA-N","71715374",NA,"PDBC53890","785004","Present"
-"Tak-441","","","","","","","","","","","","","","","","","","","","TAK-441","","CCC1=CC2=C(C(=C(N2C)C(=O)NC3CCN(CC3)C(=O)CO)OCC(F)(F)F)C(=O)N1CC(=O)C4=CC=CC=C4","ZADWXQMNNVICKB-UHFFFAOYSA-N","44187367",NA,"PDBC53891","771858","Present"
-"Tak-593","","","","","","","","","","","","","","","","","","","","TAK-593","","CC1=C(C=C(C=C1)OC2=NN3C=C(N=C3C=C2)NC(=O)C4CC4)NC(=O)C5=CC(=NN5C)C","DZFZXPPHBWCXPQ-UHFFFAOYSA-N","24767976",NA,"PDBC53892","800939","Present"
-"Taka New No.-1","","","","","","","","","","","","","","","","","","","","Taka New No.-1","","","","",NA,"PDBC53893","640157","Present"
-"Taka New No.-2","","","","","","","","","","","","","","","","","","","","Taka New No.-2","","","","",NA,"PDBC53894","640158","Present"
-"Taladegib","","","","","","","","","","","","","","","","","","","","LY-2940680","","CN1C(=CC=N1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)N(C)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F","SZBGQDXLNMELTB-UHFFFAOYSA-N","49848070",NA,"PDBC53895","767896","Present"
-"Tambjamine I","","","","","","","","","","","","","","","","","","","","Tambjamine I","","CC(C)CN=CC1=C(C=C(N1)C2=CC=C(N2)Br)OC","GGAUCNJADPWCIJ-UHFFFAOYSA-N","381030",NA,"PDBC53896","667051","Present"
-"Taminadenant","","","","","","","","","","","","","","","","","","","","Taminadenant","","C1=CN(N=C1)C2=NC(=NC(=C2Br)N)N3C=CC=N3","ATFXVNUWQOXRRU-UHFFFAOYSA-N","53466958",NA,"PDBC53897","817041","Present"
-"Tamoxifen methiodide","","","","","","","","","","","","","","","","","","","","N-Methyltamoxifen iodide","","CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCC[N+](C)(C)C)C3=CC=CC=C3.[I-]","PXJJOGITBQXZEQ-JTHROIFXSA-M","3033898",NA,"PDBC53898","630510","Present"
-"Tanacetol","","","","","","","","","","","","","","","","","","","","tanacetol","","CC1=CC(CC(=C)C(CC(CC1)C(C)(C)O)O)OC(=O)C","WAGDOKQHNWIHJF-FLIBITNWSA-N","5478028",NA,"PDBC53899","376681","Present"
-"Tanakan","","","","","","","","","","","","","","","","","","","","arolen","","CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O","AEUAEICGCMSYCQ-UHFFFAOYSA-N","83818",NA,"PDBC53900","14050","Present"
-"Tangeretin","","","","","","","","","","","","","","","","","","","","tangeritin","","COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC","ULSUXBXHSYSGDT-UHFFFAOYSA-N","68077",NA,"PDBC53901","53909","Present"
-"Tannic acid (TN)","","","","","","","","","","","","","","","","","","","","D-Glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihyd...","","C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O","LRBQNJMCXXYXIU-UHFFFAOYSA-N","16129878",NA,"PDBC53902","5031","Present"
-"Tanshinone IIA","","","","","","","","","","","","","","","","","","","","Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1...","","CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C","HYXITZLLTYIPOF-UHFFFAOYSA-N","164676",NA,"PDBC53903","686519","Present"
-"Taraxast-20(30)-ene-3beta,16beta-diol","","","","","","","","","","","","","","","","","","","","Arnidiol","","CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CCC1=C)C)O)C)C)(C)C)O)C","IOPDFSGGBHSXSV-ZPWDLUOLSA-N","397932",NA,"PDBC53904","707000","Present"
-"Tarenflurbil","","","","","","","","","","","","","","","","","","","","R-Flurbiprofen","","CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O","SYTBZMRGLBWNTM-SNVBAGLBSA-N","92337",NA,"PDBC53905","685699","Present"
-"Targegen B-Raf/PDGFR inhibitor Cpd 6","","","","","","","","","","","","","","","","","","","","Targegen B-Raf/PDGFR inhibitor Cpd 6","","CSC1=NC(=CC(=N1)OC2=CC=C(C=C2)C3=NC(=NN3)NC4=CC=CC(=C4)C(F)(F)F)N","CMYHZFCJPORPHY-UHFFFAOYSA-N","53328059",NA,"PDBC53906","754364","Present"
-"Tartaric acid, monopotassium salt","","","","","","","","","","","","","","","","","","","","faecla","","C(C(C(=O)O)O)(C(=O)O)O.[K+]","KYKNRZGSIGMXFH-UHFFFAOYSA-N","9836981",NA,"PDBC53907","155080","Present"
-"Tas-116","","","","","","","","","","","","","","","","","","","","TAS-116","","CCC1=C(C=CC(=C1)C(=O)N)N2C3=NC=CC(=C3C(=N2)C(C)C)N4C=C(N=C4)C5=CN(N=C5)C","NVVPMZUGELHVMH-UHFFFAOYSA-N","67501411",NA,"PDBC53908","780204","Present"
-"Taspine","","","","","","","","","","","","","","","","","","","","Taspine","","CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC","MTAWKURMWOXCEO-UHFFFAOYSA-N","215159",NA,"PDBC53909","688259","Present"
-"Taurine,7alpha-dihydroxy-5beta-cholan-24-oyl)-sodium salt","","","","","","","","","","","","","","","","","","","","taurochenodeoxycholic acid (6ci)","","CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]","IYPNVUSIMGAJFC-HLEJRKHJSA-N","54608447",NA,"PDBC53910","681055","Present"
-"Taurolithocholic acid (6CI, 7CI)","","","","","","","","","","","","","","","","","","","","taurolithocholic acid (6ci, 7ci)","","CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]","YAERYJYXPRIDTO-HRHHVWJRSA-N","54608445",NA,"PDBC53911","681057","Present"
-"Taxchinin-A","","","","","","","","","","","","","","","","","","","","Taxchinin-A","","CC1=C2C(C(C3(C(CC(C(=C)C3C(C2(CC1O)C(C)(C)O)OC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C4=CC=CC=C4","VETCXRGMQJYOHM-JMXHMTBUSA-N","380229",NA,"PDBC53912","665705","Present"
-"Taxifolin 6 C-glucoside","","","","","","","","","","","","","","","","","","","","Taxifolin 6 C-glucoside","","CC1C(OC2=C(C1=O)C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC(=C(C=C4)O)O","LLUXQXAZCRDFQO-MSUKOQTKSA-N","362480",NA,"PDBC53913","626436","Present"
-"Taxine A","","","","","","","","","","","","","","","","","","","","Taxine A","","CC1=C2C(C(=O)C3(CC(=CC(C(C2(C)C)CC1OC(=O)C)OC(=O)C)C(CC3O)OC(=O)C(C(C4=CC=CC=C4)N(C)C)O)C)O","KOTXAHKUCAQPQA-MCBQMXOVSA-N","5281829",NA,"PDBC53914","674284","Present"
-"Taylor D","","","","","","","","","","","","","","","","","","","","Taylor D","","CC1C2CCC(=O)C3(CCCC(C3CC(C(=C2)C1=O)O)(C)C)C","ZMAJCXMARYPQHM-DBKKVMMFSA-N","394229",NA,"PDBC53915","697529","Present"
-"Taylor E","","","","","","","","","","","","","","","","","","","","Taylor E","","CC1(CCCC2(C1CC(C3=CC(CC(C2=O)O)C(=C)C3=O)O)C)C","MVMJWFDNKYVKQT-SBFGLHDKSA-N","394230",NA,"PDBC53916","697530","Present"
-"Teferdine","","","","","","","","","","","","","","","","","","","","Teferdine","","CC1=CCC2(CCC(C2C(C1)OC(=O)C3=CC=CC=C3)(C(C)C)O)C","YOLDXKHOBUWSGX-NZUHHQEFSA-N","389015",NA,"PDBC53917","684504","Present"
-"Teferin","","","","","","","","","","","","","","","","","","","","Teferin","","CC1=CCC2(CCC(C2C(C1)OC(=O)C3=CC(=C(C=C3)O)OC)(C(C)C)O)C","YEQVRBJRNFLOQJ-AEDUHMMZSA-N","389016",NA,"PDBC53918","684505","Present"
-"Tegavivint","","","","","","","","","","","","","","","","","","","","(9E,10E)-2,7-bis(((3S,5R)-3,5-dimethylpiperidin-1-yl)sul...","","CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=C4C=CC(=CC4=C3N=O)S(=O)(=O)N5CC(CC(C5)C)C)NO)C","OMWCXCBGEFHCTN-FGYAAKKASA-N","46212391",NA,"PDBC53919","785527","Present"
-"Teglarinad","","","","","","","","","","","","","","","","","","","","Teglarinad","","COCCOCCOCCOCCOC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N","RXXJCNMVVRGOJB-UHFFFAOYSA-O","9961435",NA,"PDBC53920","761189","Present"
-"Tehranolide","","","","","","","","","","","","","","","","","","","","Tehranolide","","CC1C2CCC3(C(CCC34CC(C2OC1=O)(OO4)O)O)C","UKBRRPFBNDFXGR-PLTKTJNRSA-N","6711941",NA,"PDBC53921","647625","Present"
-"Telaglenastat","","","","","","","","","","","","","","","","","","","","CB-839","","C1=CC=NC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)OC(F)(F)F","PRAAPINBUWJLGA-UHFFFAOYSA-N","71577426",NA,"PDBC53922","783415","Present"
-"Tellurium, trichloro[1,2-hexanedioato(2-)-O,O']-, ammonium","","","","","","","","","","","","","","","","","","","","Tellurium, trichloro[1,2-hexanedioato(2-)-O,O']-, ammonium","","","","",NA,"PDBC53923","641009","Present"
-"Telmisartan","","","","","","","","","","","","","","","","","","","","telmisartan (usan)","","CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C","RMMXLENWKUUMAY-UHFFFAOYSA-N","65999",NA,"PDBC53924","759811","Present"
-"Tembamide","","","","","","","","","","","","","","","","","","","","Tembamide","","COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)O","NICURWGAEFHESQ-UHFFFAOYSA-N","177583",NA,"PDBC53925","114783","Present"
-"Tenalisib","","","","","","","","","","","","","","","","","","","","Tenalisib","","CCC(C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)NC4=NC=NC5=C4NC=N5","HDXDQPRPFRKGKZ-INIZCTEOSA-N","86291103",NA,"PDBC53926","803014","Present"
-"Tenellin camphanic acid ester","","","","","","","","","","","","","","","","","","","","Tenellin camphanic acid ester","","CCC(C)C=C(C)C=CC(=O)C1=C(C(=CN(C1=O)O)C2=CC=C(C=C2)OC(=O)C34CCC(C3(C)C)(C(=O)O4)C)O","KMSZAFGXIAVAJT-BYNLOMPOSA-N","60148212",NA,"PDBC53927","753978","Present"
-"Tenovin-6 derivat A","","","","","","","","","","","","","","","","","","","Tenovin-6 derivat A","","","","","",NA,"PDBC53928","","Absent"
-"Tenovin-6 derivat B","","","","","","","","","","","","","","","","","","","Tenovin-6 derivat B","","","","","",NA,"PDBC53929","","Absent"
-"Tenuazonic acid","","","","","","","","","","","","","","","","","","","","Tenuazonic acid","","CCC(C)C1C(=O)C(=C(C)O)C(=O)N1","CGMTUJFWROPELF-VKVCYUIGSA-N","135510136",NA,"PDBC53930","638261","Present"
-"Tenulin","","","","","","","","","","","","","","","","","","","","Tenulin","","CC1CC2C3C(C4(C1C=CC4=O)C)OC(C3(C(=O)O2)C)(C)O","CNIULSUYTFOEHN-MEBIVNBJSA-N","227830",NA,"PDBC53931","19942","Present"
-"Tenylidone","","","","","","","","","","","","","","","","","","","","vanitile","","C1CC(=CC2=CC=CS2)C(=O)C(=CC3=CC=CS3)C1","KHXBULXCCPIELT-DCIPZJNNSA-N","1550999",NA,"PDBC53932","54902","Present"
-"Tepotinib","","","","","","","","","","","","","","","","","","","","tepotinib","","CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N","AHYMHWXQRWRBKT-UHFFFAOYSA-N","25171648",NA,"PDBC53933","758244","Present"
-"Terbium polyoxy metalate","","","","","","","","","","","","","","","","","","","","Terbium polyoxy metalate","","","","",NA,"PDBC53934","622102","Present"
-"Terephthalohydroxamic acid","","","","","","","","","","","","","","","","","","","","Terephthalodihydroxamic acid","","C1=CC(=CC=C1C(=O)NO)C(=O)NO","YAJCYOUHZABXFT-UHFFFAOYSA-N","88356",NA,"PDBC53935","129408","Present"
-"Terpin","","","","","","","","","","","","","","","","","","","","Terpin (VAN)","","CC1(CCC(CC1)C(C)(C)O)O","RBNWAMSGVWEHFP-UHFFFAOYSA-N","6651",NA,"PDBC53936","403856","Present"
-"Terpyridine platinum(II) purine complex, tetrafluorobora...","","","","","","","","","","","","","","","","","","","","Terpyridine platinum(II) purine complex, tetrafluorobora...","","","","",NA,"PDBC53937","742150","Present"
-"Terrein","","","","","","","","","","","","","","","","","","","","Terrein","","CC=CC1=CC(=O)C(C1O)O","MHOOPNKRBMHHEC-NSCUHMNNSA-N","5372499",NA,"PDBC53938","291308","Present"
-"Tert-Butyl (2-oxopropyl)carbamate","","","","","","","","","","","","","","","","","","","","EBD37858","","CC(=O)CNC(=O)OC(C)(C)C","OZGMUQGCAFEQOX-UHFFFAOYSA-N","357955",NA,"PDBC53939","617629","Present"
-"Tert-Butyl (4-(((methoxyimino)(2-(tritylamino)-1,3-thiazol-4-yl)acetyl)amino)-4H-1lambda~5~,2,4-triazol-1-yl)acetate","","","","","","","","","","","","","","","","","","","","(1Z,2Z)-2-Methoxyimino-N-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]-2-[2-(tritylamino)-1,3-thiazol-4-yl]ethanimidate","","CC(C)(C)OC(=O)CN1C=[N+](C=N1)N=C(C(=NOC)C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-]","SUPCNMXYERLOFT-ZDNCSJAVSA-N","9571435",NA,"PDBC53940","660849","Present"
-"Tert-Butyl (4-((phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate","","","","","","","","","","","","","","","","","","","","Tert-Butyl (4-((phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate","","CC(C)(C)OC(=O)CN1C(=S)N(C=N1)NC(=O)CC2=CC=CC=C2","OEDIASVDYKSZEP-UHFFFAOYSA-N","378427",NA,"PDBC53941","660846","Present"
-"Tert-Butyl (4-(methyl(phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate","","","","","","","","","","","","","","","","","","","","Tert-Butyl (4-(methyl(phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate","","CC(C)(C)OC(=O)CN1C(=S)N(C=N1)N(C)C(=O)CC2=CC=CC=C2","TWAYFGHIZOUKNJ-UHFFFAOYSA-N","378428",NA,"PDBC53942","660847","Present"
-"Tert-Butyl (mesitylsulfonyl)oxycarbamate","","","","","","","","","","","","","","","","","","","","ACT09602","","CC1=CC(=C(C(=C1)C)S(=O)(=O)ONC(=O)OC(C)(C)C)C","WVMDSNGINQNHLN-UHFFFAOYSA-N","359285",NA,"PDBC53943","620029","Present"
-"Tert-Butyl 1-(((1-(4-(hydroxy(oxido)amino)benzyl)-2-((2-(methylamino)-2-oxoethyl)amino)-2-oxoethyl)amino)carbonyl)-4-(methylamino)-4-oxobutylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[5-(methylamino)-1-[[1-[[2-(methylamino)-2-oxoethyl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate","","CC(C)(C)OC(=O)NC(CCC(=O)NC)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)NC","SJVUOGDIUJCWIF-UHFFFAOYSA-N","382248",NA,"PDBC53944","669703","Present"
-"Tert-Butyl 1-(((1-(aminocarbonyl)-3-(benzyloxy)propyl)amino)carbonyl)-3-methylbutylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 1-(((1-(aminocarbonyl)-3-(benzyloxy)propyl)amino)carbonyl)-3-methylbutylcarbamate","","CC(C)CC(C(=O)NC(CCOCC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C","PCGNKQZUOUFHKU-UHFFFAOYSA-N","382707",NA,"PDBC53945","670355","Present"
-"Tert-Butyl 1-(((1-(aminocarbonyl)-3-methoxypropyl)amino)carbonyl)-3-methylbutylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 1-(((1-(aminocarbonyl)-3-methoxypropyl)amino)carbonyl)-3-methylbutylcarbamate","","CC(C)CC(C(=O)NC(CCOC)C(=O)N)NC(=O)OC(C)(C)C","ZPNGEZVLRVKUJQ-UHFFFAOYSA-N","386871",NA,"PDBC53946","679686","Present"
-"Tert-Butyl 1-(((2-((2-((2,5-dioxo-1-pyrrolidinyl)oxy)-2-oxoethyl)amino)-1-methyl-2-oxoethyl)amino)carbonyl)-2-methylpropylcarbamate","","","","","","","","","","","","","","","","","","","","(2,5-Dioxopyrrolidin-1-yl) 2-[2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoylamino]acetate","","CC(C)C(C(=O)NC(C)C(=O)NCC(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C","ARDMBADUZSGEQZ-UHFFFAOYSA-N","381444",NA,"PDBC53947","668032","Present"
-"Tert-Butyl 1-(((2-((4-((2-((2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)amino)carbonyl)-3-(methylthio)propylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-[2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate","","CC(C)(C)OC(=O)NC(CCSC)C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3C2=O","ZQYDFBSKVDYAMJ-UHFFFAOYSA-N","438925",NA,"PDBC53948","684441","Present"
-"Tert-Butyl 1-((4-((4-(2,3-dihydro[1,3]thiazolo[2,3-a]isoindol-5-yl)-6-fluoro-1,3,5-triazin-2-yl)amino)anilino)carbonyl)-3-methylbutylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-[4-[[4-(2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-yl)-6-fluoro-1,3,5-triazin-2-yl]amino]anilino]-4-methyl-1-oxopentan-2-yl]carbamate","","CC(C)CC(C(=O)NC1=CC=C(C=C1)NC2=NC(=NC(=N2)C3=C4C=CC=CC4=C5N3CCS5)F)NC(=O)OC(C)(C)C","ZHNPXYASIJHQME-UHFFFAOYSA-N","373235",NA,"PDBC53949","649242","Present"
-"Tert-Butyl 1-((4-((4-fluoro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)amino)anilino)carbonyl)-3-methylbutylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-[4-[[4-fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-yl]amino]anilino]-4-methyl-1-oxopentan-2-yl]carbamate","","CC(C)CC(C(=O)NC1=CC=C(C=C1)NC2=NC(=NC(=N2)C3=C4C=CC=CC4=CN3C)F)NC(=O)OC(C)(C)C","FDJLXSPYFNUPLA-UHFFFAOYSA-N","373233",NA,"PDBC53950","649240","Present"
-"Tert-Butyl 1-(4-tert-butoxybenzyl)-2-((2,5-dibenzyl-13-isobutyl-4,7,12,14-tetraoxo-1,3,6,11-tetraazacyclotetradecan-8-yl)amino)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-[[2,5-dibenzyl-13-(2-methylpropyl)-4,7,12,14-tetraoxo-1,3,6,11-tetrazacyclotetradec-8-yl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate","","CC(C)CC1C(=O)NCCC(C(=O)NC(C(=O)NC(NC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)OC(C)(C)C)NC(=O)OC(C)(C)C","FIFDQVYEDNVCBA-UHFFFAOYSA-N","495913",NA,"PDBC53951","672670","Present"
-"Tert-Butyl 1-(benzyloxy)-2-phenylethylcarbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, [(2-phenyl-1-(phenylmethoxy)ethyl]-, 1,1-...","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)OCC2=CC=CC=C2","KXFJNORVYOZHLI-UHFFFAOYSA-N","381458",NA,"PDBC53952","668045","Present"
-"Tert-Butyl 1-benzyl-2-((1-methyl-2-(methylamino)-2-oxoethyl)amino)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 1-benzyl-2-((1-methyl-2-(methylamino)-2-oxoethyl)amino)-2-oxoethylcarbamate","","CC(C(=O)NC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C","RZTAPQUQDVAUKT-UHFFFAOYSA-N","381733",NA,"PDBC53953","668593","Present"
-"Tert-Butyl 1-benzyl-2-(1-pyrrolidinyl)-2-thioxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 1-benzyl-2-(1-pyrrolidinyl)-2-thioxoethylcarbamate","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=S)N2CCCC2","HTBOVAIZEKLASI-UHFFFAOYSA-N","370701",NA,"PDBC53954","644198","Present"
-"Tert-Butyl 1-methyl-4-pentenyl((4-methylphenyl)sulfonyl)carbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 1-methyl-4-pentenyl((4-methylphenyl)sulfonyl)carbamate","","CC1=CC=C(C=C1)S(=O)(=O)N(C(C)CCC=C)C(=O)OC(C)(C)C","XJXNQSXNZHNNMH-UHFFFAOYSA-N","367947",NA,"PDBC53955","638151","Present"
-"Tert-Butyl 2,6-dioxo-4-propyl-3-piperidinecarboxylate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2,6-dioxo-4-propyl-3-piperidinecarboxylate","","CCCC1CC(=O)NC(=O)C1C(=O)OC(C)(C)C","CNXCDQRMLHOXAR-UHFFFAOYSA-N","386653",NA,"PDBC53956","679110","Present"
-"Tert-Butyl 2-((((2-((tert-butoxycarbonyl)amino)cyclohexyl)amino)(oxo)acetyl)amino)cyclohexylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-oxoacetyl]amino]cyclohexyl]carbamate","","CC(C)(C)OC(=O)NC1CCCCC1NC(=O)C(=O)NC2CCCCC2NC(=O)OC(C)(C)C","OCFUGYBSBVHKRH-UHFFFAOYSA-N","384593",NA,"PDBC53957","674605","Present"
-"Tert-Butyl 2-((1-(((2-((1-(((cyclopentylideneamino)oxy)carbonyl)-1-methylpropyl)amino)-1-methyl-2-oxoethyl)amino)carbonyl)-1-methylpropyl)amino)-1-methyl-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","(Cyclopentylideneamino) 2-methyl-2-[2-[[2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoyl]amino]propanoylamino]butanoate","","CCC(C)(C(=O)NC(C)C(=O)NC(C)(CC)C(=O)ON=C1CCCC1)NC(=O)C(C)NC(=O)OC(C)(C)C","GOUKPABDJFZSMG-UHFFFAOYSA-N","381447",NA,"PDBC53958","668035","Present"
-"Tert-Butyl 2-((1-benzyl-2-((2-((cyclopentylideneamino)oxy)-2-oxoethyl)amino)-2-oxoethyl)amino)-1-methyl-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","(Cyclopentylideneamino) 2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenylpropanoyl]amino]acetate","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)ON=C2CCCC2)NC(=O)OC(C)(C)C","GIHGPMYOIHAAGA-UHFFFAOYSA-N","381735",NA,"PDBC53959","668595","Present"
-"Tert-Butyl 2-((2-((2-((2-(4-(4-(((3-(methylthio)propyl)amino)carbonyl)-1,3-thiazol-2-yl)-3H-1lambda~4~,3-thiazol-2-yl)ethyl)amino)-2-oxoethyl)amino)-2-oxoethyl)amino)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[[2-[[2-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate","","CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCSC","BDLOPVZLSPUTAP-UHFFFAOYSA-N","495473",NA,"PDBC53960","655478","Present"
-"Tert-Butyl 2-((2-((2-((2-hydroxy-4-methyl-7-quinolinyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-[[1-[[1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate","","CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C","OMELCXXTIBQUEY-UHFFFAOYSA-N","386991",NA,"PDBC53961","680302","Present"
-"Tert-Butyl 2-((2-((2-(4-(4-(((3-(methylthio)propyl)amino)carbonyl)-1,3-thiazol-2-yl)-3H-1lambda~4~,3-thiazol-2-yl)ethyl)amino)-2-oxoethyl)amino)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[[2-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]carbamate","","CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCSC","QWUBUOXDKAWJQE-UHFFFAOYSA-N","495469",NA,"PDBC53962","655475","Present"
-"Tert-Butyl 2-((2-(4-(4-(((3-(methylthio)propyl)amino)carbonyl)-1,3-thiazol-2-yl)-3H-1lambda~4~,3-thiazol-2-yl)ethyl)amino)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-2-oxoethyl]carbamate","","CC(C)(C)OC(=O)NCC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCSC","IYKNZOLNKLSDIB-UHFFFAOYSA-N","495471",NA,"PDBC53963","655477","Present"
-"Tert-Butyl 2-((6-((((tert-butoxycarbonyl)amino)acetyl)amino)-3-cyclohexen-1-yl)amino)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]cyclohex-3-en-1-yl]amino]-2-oxoethyl]carbamate","","CC(C)(C)OC(=O)NCC(=O)NC1CC=CCC1NC(=O)CNC(=O)OC(C)(C)C","GPTOSRIQHNHSKW-UHFFFAOYSA-N","384579",NA,"PDBC53964","674593","Present"
-"Tert-Butyl 2-((acetyloxy)(phenyl)acetyl)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-((acetyloxy)(phenyl)acetyl)hydrazinecarboxylate","","CC(=O)OC(C1=CC=CC=C1)C(=O)NNC(=O)OC(C)(C)C","FWWVLPFGNQETOW-UHFFFAOYSA-N","381462",NA,"PDBC53965","668050","Present"
-"Tert-Butyl 2-((benzhydrylamino)carbonyl)-1-pyrrolidinecarboxylate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-((benzhydrylamino)carbonyl)-1-pyrrolidinecarboxylate","","CC(C)(C)OC(=O)N1CCCC1C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3","RGNNHAVGJMFODJ-UHFFFAOYSA-N","381731",NA,"PDBC53966","668591","Present"
-"Tert-Butyl 2-((hydroxyimino)methyl)nicotinate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-((hydroxyimino)methyl)nicotinate","","CC(C)(C)OC(=O)C1=C(N=CC=C1)C=NO","YSQKAMNJNSRKPI-NTUHNPAUSA-N","135499208",NA,"PDBC53967","644868","Present"
-"Tert-Butyl 2-(2-(((benzyloxy)carbonyl)amino)-5-ethoxy-5-oxopentanoyl)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-(2-(((benzyloxy)carbonyl)amino)-5-ethoxy-5-oxopentanoyl)hydrazinecarboxylate","","CCOC(=O)CCC(C(=O)NNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1","AEASTATZRUTDNB-UHFFFAOYSA-N","381615",NA,"PDBC53968","668428","Present"
-"Tert-Butyl 2-(2-(aminocarbonyl)-1-pyrrolidinyl)-1-benzyl-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-(2-(aminocarbonyl)-1-pyrrolidinyl)-1-benzyl-2-oxoethylcarbamate","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)N","CAOGSKOCNQRIOG-UHFFFAOYSA-N","382197",NA,"PDBC53969","669656","Present"
-"Tert-Butyl 2-(2-hydroxy-3-phenoxypropyl)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-(2-hydroxy-3-phenoxypropyl)hydrazinecarboxylate","","CC(C)(C)OC(=O)NNCC(COC1=CC=CC=C1)O","BZDJMQXNPXDJKK-UHFFFAOYSA-N","391017",NA,"PDBC53970","689432","Present"
-"Tert-Butyl 2-(2-phenoxypropanoyl)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-(2-phenoxypropanoyl)hydrazinecarboxylate","","CC(C(=O)NNC(=O)OC(C)(C)C)OC1=CC=CC=C1","MJDRBLGJAUHSNZ-UHFFFAOYSA-N","381466",NA,"PDBC53971","668053","Present"
-"Tert-Butyl 2-(2-thiabicyclo[2.2.1]hept-5-en-3-yl)ethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-(2-thiabicyclo[2.2.1]hept-5-en-3-yl)ethylcarbamate","","CC(C)(C)OC(=O)NCCC1C2CC(S1)C=C2","NOTIXZCRLVHBGB-UHFFFAOYSA-N","386478",NA,"PDBC53972","678505","Present"
-"Tert-Butyl 2-amino-1-((5-(benzyloxy)-2-pyridinyl)methyl)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-amino-1-((5-(benzyloxy)-2-pyridinyl)methyl)-2-oxoethylcarbamate","","CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)N","KJOUYZYFLMUPBB-UHFFFAOYSA-N","385334",NA,"PDBC53973","676451","Present"
-"Tert-Butyl 2-amino-1-((5-hydroxy-2-pyridinyl)methyl)-2-oxoethylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-amino-1-((5-hydroxy-2-pyridinyl)methyl)-2-oxoethylcarbamate","","CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)O)C(=O)N","YCZVZWXCDBYZMA-UHFFFAOYSA-N","385335",NA,"PDBC53974","676452","Present"
-"Tert-Butyl 2-amino-1-(methoxymethyl)-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-amino-1-(methoxymethyl)-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate","","CC12C=CC(=CC1=C(C(=N)N2COC)C(=O)OC(C)(C)C)O","FCOWLXWPXUZYKM-UHFFFAOYSA-N","135450442",NA,"PDBC53975","674201","Present"
-"Tert-Butyl 3-(((benzyloxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 3-(((benzyloxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoate","","CC(C)(C)OC(=O)CC(NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C","UHEHLVHHWLYYTK-UHFFFAOYSA-N","381432",NA,"PDBC53976","668020","Present"
-"Tert-Butyl 3-((tert-butoxycarbonyl)amino)-4-((1-(4-(hydroxy(oxido)amino)benzyl)-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-[[1-methoxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate","","CC(C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC)NC(=O)OC(C)(C)C","YFNNBPDZSMMUIC-UHFFFAOYSA-N","381637",NA,"PDBC53977","668459","Present"
-"Tert-Butyl 3-((tert-butoxycarbonyl)amino)-4-((2-hydroxy-1-(methoxycarbonyl)-2-phenylethyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-[(1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate","","CC(C)(C)OC(=O)CC(C(=O)NC(C(C1=CC=CC=C1)O)C(=O)OC)NC(=O)OC(C)(C)C","NHCFIOGJPAMIPQ-UHFFFAOYSA-N","382297",NA,"PDBC53978","669759","Present"
-"Tert-Butyl 3-((tert-butoxycarbonyl)amino)-4-((2-methoxy-1-methyl-2-oxo-1-phenylethyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-[(1-methoxy-1-oxo-2-phenylpropan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate","","CC(C)(C)OC(=O)CC(C(=O)NC(C)(C1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C","MIIRPCCNBGCALP-UHFFFAOYSA-N","383890",NA,"PDBC53979","672675","Present"
-"Tert-Butyl 3-(6-((4-hydroxy-3-methylbutyl)amino)-9H-purin-9-yl)propanoate","","","","","","","","","","","","","","","","","","","","(+-)-9-(2-Carbo-t-butoxyethyl)dihydrozeatin","","CC(CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)OC(C)(C)C)CO","SYUWUCOJHCSYKU-UHFFFAOYSA-N","383749",NA,"PDBC53980","672192","Present"
-"Tert-Butyl 3-butenyloxy(phenyl)carbamate","","","","","","","","","","","","","","","","","","","","tert-butyl N-but-3-enoxy-N-phenyl-carbamate","","CC(C)(C)OC(=O)N(C1=CC=CC=C1)OCCC=C","GUKTYOXQDWHXTQ-UHFFFAOYSA-N","392341",NA,"PDBC53981","692617","Present"
-"Tert-Butyl 3-butenyloxy(tert-butyl)carbamate","","","","","","","","","","","","","","","","","","","","tert-butyl N-but-3-enoxy-N-tert-butyl-carbamate","","CC(C)(C)N(C(=O)OC(C)(C)C)OCCC=C","QTKITMITOUUYMZ-UHFFFAOYSA-N","392339",NA,"PDBC53982","692615","Present"
-"Tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate","","","","","","","","","","","","","","","","","","","","8-t-Butyloxycarbonyl-3-methyl-1-phenyl-1,3,8-triazaspiro...","","CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C","ZBTCTIDRZAHCCK-UHFFFAOYSA-N","389489",NA,"PDBC53983","685711","Present"
-"Tert-Butyl 4-(((2-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[2-bromo-3,6-dioxo-1,4-cyclohexadienyl)...","","CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C(=O)C=CC2=O)Br","IKXATUBKZNLNKH-UHFFFAOYSA-N","389360",NA,"PDBC53984","685405","Present"
-"Tert-Butyl 4-((1-(((benzyloxy)carbonyl)amino)ethyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-[1-(benzyloxycarbonylamino)ethylamino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate","","CC(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1","WMACCKWDKPZPAJ-UHFFFAOYSA-N","382296",NA,"PDBC53985","669758","Present"
-"Tert-Butyl 4-((2-naphthylmethyl)amino)butyl(3-((2-naphthylmethyl)amino)propyl)carbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 4-((2-naphthylmethyl)amino)butyl(3-((2-naphthylmethyl)amino)propyl)carbamate","","CC(C)(C)OC(=O)N(CCCCNCC1=CC2=CC=CC=C2C=C1)CCCNCC3=CC4=CC=CC=C4C=C3","VTSYHPYLTZEBSF-UHFFFAOYSA-N","389622",NA,"PDBC53986","685968","Present"
-"Tert-Butyl 4-(8,20-dibenzyl-11-(1-tert-butoxyethyl)-17-(1H-indol-3-ylmethyl)-7,10,13,16,19,22-hexaoxo-6,9,12,15,18,21-hexaazaspiro[4.17]docos-14-yl)butylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[4-[8,20-dibenzyl-17-(1H-indol-3-ylmethyl)-11-[1-[(2-methylpropan-2-yl)oxy]ethyl]-7,10,13,16,19,22-hexaoxo-6,9,12,15,18,21-hexazaspiro[4.17]docosan-14-yl]butyl]carbamate","","CC(C1C(=O)NC(C(=O)NC2(CCCC2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCNC(=O)OC(C)(C)C)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)OC(C)(C)C","KBAIOLWBRGNIRJ-UHFFFAOYSA-N","383883",NA,"PDBC53987","672665","Present"
-"Tert-Butyl 4-(methylamino)-1-(((2-((2-(methylamino)-2-oxoethyl)amino)-2-oxo-1-(4-((6-oxoheptanoyl)amino)benzyl)ethyl)amino)carbonyl)-4-oxobutylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[5-(methylamino)-1-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxo-3-[4-(6-oxoheptanoylamino)phenyl]propan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate","","CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NCC(=O)NC)NC(=O)C(CCC(=O)NC)NC(=O)OC(C)(C)C","PZDXJGPVGQVPCU-UHFFFAOYSA-N","382249",NA,"PDBC53988","669704","Present"
-"Tert-Butyl 4-benzyl-1,11-dimethyl-2,5,8-trioxo-9-oxa-3,6,10-triazadodec-10-en-1-ylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 4-benzyl-1,11-dimethyl-2,5,8-trioxo-9-oxa-3,6,10-triazadodec-10-en-1-ylcarbamate","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)ON=C(C)C)NC(=O)OC(C)(C)C","QMWFXUAADKAEDG-UHFFFAOYSA-N","381729",NA,"PDBC53989","668589","Present"
-"Tert-Butyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate","","","","","","","","","","","","","","","","","","","","8-t-Butyloxycarbonyl-1-phenyl-1,3,8-triazaspiro[4,5]-dec...","","CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCN2C3=CC=CC=C3","BNYZRZNNKWZTKG-UHFFFAOYSA-N","389488",NA,"PDBC53990","685710","Present"
-"Tert-Butyl 5,6-diamino-6-oxohexylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 5,6-diamino-6-oxohexylcarbamate","","CC(C)(C)OC(=O)NCCCCC(C(=O)N)N","MYJDOZLWSJZLJY-UHFFFAOYSA-N","382308",NA,"PDBC53991","669769","Present"
-"Tert-Butyl 5-chloropyrazine-2-carboxylate","","","","","","","","","","","","","","","","","","","","5-Chloro-pyrazine-2-carboxylic acid tert-butyl ester","","CC(C)(C)OC(=O)C1=CN=C(C=N1)Cl","HVVYCXYNSSYJOR-UHFFFAOYSA-N","406083",NA,"PDBC53992","724001","Present"
-"Tert-Butyl 6-amino-5-(benzoylamino)-6-oxohexylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 6-amino-5-(benzoylamino)-6-oxohexylcarbamate","","CC(C)(C)OC(=O)NCCCCC(C(=O)N)NC(=O)C1=CC=CC=C1","TUOBGXZCQZDHJZ-UHFFFAOYSA-N","382307",NA,"PDBC53993","669768","Present"
-"Tert-Butyl 6-methoxy-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 6-methoxy-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate","","CC1(CN(C2N1C(=O)C2(C)OC)C(=O)OC(C)(C)C)C","VRJIGFKCMJJHPV-UHFFFAOYSA-N","373035",NA,"PDBC53994","648868","Present"
-"Tert-Butyl 7-benzyl-10-isobutyl-1-methyl-2,5,9,12-tetraoxo-3,6,8,11-tetraazadodec-1-ylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 7-benzyl-10-isobutyl-1-methyl-2,5,9,12-tetraoxo-3,6,8,11-tetraazadodec-1-ylcarbamate","","CC(C)CC(C(=O)NC(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)OC(C)(C)C)NC=O","CSWAVIIIISYISD-UHFFFAOYSA-N","382313",NA,"PDBC53995","669773","Present"
-"Tert-Butyl 7-oxo-6-azabicyclo[3.2.0]heptane-6-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 7-oxo-6-azabicyclo[3.2.0]heptane-6-carboxylate","","CC(C)(C)OC(=O)N1C2CCCC2C1=O","WBSVYTMBRVVEOO-UHFFFAOYSA-N","395358",NA,"PDBC53996","699840","Present"
-"Tert-Butyl 7-oxo-8-phenyloctylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 7-oxo-8-phenyloctylcarbamate","","CC(C)(C)OC(=O)NCCCCCCC(=O)CC1=CC=CC=C1","UWGJSFHHACWDRU-UHFFFAOYSA-N","394631",NA,"PDBC53997","698207","Present"
-"Tert-Butyl N-(3-Amino-3-Thioxopropyl)Carbamate","","","","","","","","","","","","","","","","","","","","2029AC","","CC(C)(C)OC(=O)NCCC(=S)N","OBDMXQCRRWGEQM-UHFFFAOYSA-N","2735653",NA,"PDBC53998","655427","Present"
-"Tert-Butyl allyloxy(tert-butyl)carbamate","","","","","","","","","","","","","","","","","","","","tert-butyl tert-butyl(prop-2-en-1-yloxy)carbamate","","CC(C)(C)N(C(=O)OC(C)(C)C)OCC=C","IXLZKHJLUMVROD-UHFFFAOYSA-N","392340",NA,"PDBC53999","692616","Present"
-"Tert-Butyl((5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)-5-heptenyl)oxy)diphenylsilane","","","","","","","","","","","","","","","","","","","","Silane, 7-(2,3,4,5-tetramethoxy-6-methylphenyl)- 5-methy...","","CC1=C(C(=C(C(=C1OC)OC)OC)OC)CC=C(C)CCCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C","YHKKAQITXCIVCO-WNAAXNPUSA-N","5469368",NA,"PDBC54000","687141","Present"
-"Tert-Butyl(4-(1-((2-methoxyethoxy)methoxy)-4-pentenyl)-2,6-dimethylphenoxy)dimethylsilane","","","","","","","","","","","","","","","","","","","","Tert-Butyl(4-(1-((2-methoxyethoxy)methoxy)-4-pentenyl)-2,6-dimethylphenoxy)dimethylsilane","","CC1=CC(=CC(=C1O[Si](C)(C)C(C)(C)C)C)C(CCC=C)OCOCCOC","GXDCHEFQKSOVBO-UHFFFAOYSA-N","371295",NA,"PDBC54001","645370","Present"
-"Tert-Butylhydroquinone","","","","","","","","","","","","","","","","","","","","tbhq","","CC(C)(C)C1=C(C=CC(=C1)O)O","BGNXCDMCOKJUMV-UHFFFAOYSA-N","16043",NA,"PDBC54002","4972","Present"
-"Tert-butyl (1S,6R)-3-oxo-4-oxa-2-azabicyclo[4.2.0]oct-7-ene-2-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl(1s,6r)-3-oxo-4-oxa-2-azabicyclo[4.2.0]oct-7-ene-2-carboxylate","","CC(C)(C)OC(=O)N1C2C=CC2COC1=O","OXKKVVCITWNFRC-YUMQZZPRSA-N","397593",NA,"PDBC54003","705934","Present"
-"Tert-butyl (1S,9R)-4-amino-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene-16-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl (1S,9R)-4-amino-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene-16-carboxylate","","CC12C3=CC=CC=C3C(N1C(=O)OC(C)(C)C)CC4=C2C=C(C=C4)N","PTDWCQNGXMGUHR-WIYYLYMNSA-N","6712746",NA,"PDBC54004","708852","Present"
-"Tert-butyl (2R)-1-benzyl-5-sulfanylidenepyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","NSC687546","","CC(C)(C)OC(=O)C1CCC(=S)N1CC2=CC=CC=C2","YYJIVJFCPCPWEX-CYBMUJFWSA-N","390254",NA,"PDBC54005","687546","Present"
-"Tert-butyl (2R,5S)-2-tert-butyl-5-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-oxoimidazolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl (2R,5S)-2-tert-butyl-5-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-oxoimidazolidine-1-carboxylate","","CC1(C(=O)N(C(N1C(=O)OC(C)(C)C)C(C)(C)C)C)CC2=CC=C(C=C2)F","SZANBVCORZWWOX-IERDGZPVSA-N","396652",NA,"PDBC54006","703166","Present"
-"Tert-butyl (2S)-1-benzyl-5-sulfanylidenepyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","NSC687547","","CC(C)(C)OC(=O)C1CCC(=S)N1CC2=CC=CC=C2","YYJIVJFCPCPWEX-ZDUSSCGKSA-N","390255",NA,"PDBC54007","687547","Present"
-"Tert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylsulfanylmethyl]pyrrolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylsulfanylmethyl]pyrrolidine-1-carboxylate","","CC(C)(C)OC(=O)N1CCCC1CSCC2CCCN2C(=O)OC(C)(C)C","KNMANBJHTYNPFV-HOTGVXAUSA-N","397189",NA,"PDBC54008","704596","Present"
-"Tert-butyl (2S,3R)-3-methyl-2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]pentanoate","","","","","","","","","","","","","","","","","","","","Tert-butyl(2s,3r)-3-methyl-2-[[(2s)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]pentanoate","","CCC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NCC(F)(F)F","GBYDHHIFLCMQAA-PVAVHDDUSA-N","399214",NA,"PDBC54009","709888","Present"
-"Tert-butyl (2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoyl]amino]-3-methylpentanoate","","","","","","","","","","","","","","","","","","","","Tert-butyl (2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoyl]amino]-3-methylpentanoate","","CCC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NCC(F)(F)F","LHWGAUTUTGYVJN-JQFCIGGWSA-N","400541",NA,"PDBC54010","712619","Present"
-"Tert-butyl (2Z)-2-(1-acetyl-2-methoxy-2H-indol-3-ylidene)acetate","","","","","","","","","","","","","","","","","","","","Tert-butyl (2Z)-2-(1-acetyl-2-methoxy-2H-indol-3-ylidene)acetate","","CC(=O)N1C(C(=CC(=O)OC(C)(C)C)C2=CC=CC=C21)OC","IRCKRCCRIQIAQM-RAXLEYEMSA-N","5387217",NA,"PDBC54011","621862","Present"
-"Tert-butyl (2Z)-2-[(2,4-dinitrophenyl)hydrazono]cyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl (2Z)-2-[(2,4-dinitrophenyl)hydrazono]cyclopentanecarboxylate","","CC(C)(C)OC(=O)C1CCCC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","KHSCJKRBESUSSQ-ATVHPVEESA-N","9571472",NA,"PDBC54012","669649","Present"
-"Tert-butyl (4R,5S)-4-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)hexanoate","","","","","","","","","","","","","","","","","","","","Tert-butyl (4R,5S)-4-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)hexanoate","","CC(C(CC(=C)C(=O)OC(C)(C)C)O)NC(=O)OCC1=CC=CC=C1","WJNINSDPTZYUDV-GOEBONIOSA-N","5472235",NA,"PDBC54013","717093","Present"
-"Tert-butyl (4aS,6aS,9bS)-6a-methyl-3,7-dipyridin-3-yl-4a,5,6,9,9a,9b-hexahydro-1H-cyclopenta[f]quinoline-4-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl (4aS,6aS,9bS)-6a-methyl-3,7-dipyridin-3-yl-4a,5,6,9,9a,9b-hexahydro-1H-cyclopenta[f]quinoline-4-carboxylate","","CC12CCC3C(C1CC=C2C4=CN=CC=C4)CC=C(N3C(=O)OC(C)(C)C)C5=CN=CC=C5","JZPKVAPVFDTOKX-WNLZEKCMSA-N","403567",NA,"PDBC54014","718591","Present"
-"Tert-butyl 1-[(E)-cinnamyl]-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 1-[(E)-cinnamyl]-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate","","CC(C)(C)OC(=O)N1CCC2=C(C1)N(NC2=O)CC=CC3=CC=CC=C3","RBHTZGJCVFLZSA-JXMROGBWSA-N","5468681",NA,"PDBC54015","674229","Present"
-"Tert-butyl 1-[2-[[2-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 1-[2-[[2-[[2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylate","","CC(C)C(C(=O)N1CCCC1C(=O)OC(C)(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC2=CC=CC=C2)N(C)C(=O)C(C(C)C)N(C)C","GVOFAKZZEJFVAC-UHFFFAOYSA-N","375410",NA,"PDBC54016","655096","Present"
-"Tert-butyl 2,6-dioxo-4-[1,2,3,4-tetrakis(phenylmethoxy)butyl]piperidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","NSC677663///NSC677666","","CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)C(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","ATIZHXQUOYPBJB-UHFFFAOYSA-N","386078",NA,"PDBC54017","677663///677666","Present"
-"Tert-butyl 2,6-dioxo-4-[2,3,4,5-tetrakis(phenylmethoxy)pentyl]piperidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","NSC677669///NSC677671","","CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)CC(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","PHSWOSLMXLTJGG-UHFFFAOYSA-N","386081",NA,"PDBC54018","677669///677671","Present"
-"Tert-butyl 2,6-dioxo-4-[2,3,4-tris(phenylmethoxy)butyl]piperidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 2,6-dioxo-4-[2,3,4-tris(benzyloxy)butyl]piperidine-3-carboxylate","","CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)CC(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","SFRGAJOOYXWWKE-UHFFFAOYSA-N","386084",NA,"PDBC54019","677674","Present"
-"Tert-butyl 2-(1,4,7-triazonan-1-yl)acetate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 1,4,7-triazonan-1-ylacetate","","CC(C)(C)OC(=O)CN1CCNCCNCC1","ASXRRCSNWSZWHO-UHFFFAOYSA-N","393898",NA,"PDBC54020","696858","Present"
-"Tert-butyl 2-(1-benzylindol-5-yl)acetate","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-(1-benzylindol-5-yl)acetate","","CC(C)(C)OC(=O)CC1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3","FTFJBSFVSBQAFV-UHFFFAOYSA-N","365321",NA,"PDBC54021","632912","Present"
-"Tert-butyl 2-(2-oxochroman-3-carbonyl)hydrazinecarboxylate","","","","","","","","","","","","","","","","","","","","tert-butyl 2-(2-oxochroman-3-carbonyl)hydrazinecarboxylate","","CC(C)(C)OC(=O)NNC(=O)C1CC2=CC=CC=C2OC1=O","LYDZBGHQFWXWID-UHFFFAOYSA-N","381451",NA,"PDBC54022","668039","Present"
-"Tert-butyl 2-(3-ethoxy-2-nitro-3-oxopropyl)pyrrole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-(3-ethoxy-2-nitro-3-oxopropyl)-1h-pyrrole-1-carboxylate","","CCOC(=O)C(CC1=CC=CN1C(=O)OC(C)(C)C)[N+](=O)[O-]","TVQICTGPWJLMRC-UHFFFAOYSA-N","402579",NA,"PDBC54023","716707","Present"
-"Tert-butyl 2-[2-[[4-[2-[(1-tert-butoxycarbonylpyrrolidine-2-carbonyl)amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]pyrrolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-[2-[[4-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylcarbamoyl]pyrrolidine-1-carboxylate","","CC(C)(C)OC(=O)N1CCCC1C(=O)NCCNC2=C3C(=C(C=C2)NCCNC(=O)C4CCCN4C(=O)OC(C)(C)C)C(=O)C5=CC=CC=C5C3=O","YOGPKBIUGTWTPM-UHFFFAOYSA-N","438927",NA,"PDBC54024","684443","Present"
-"Tert-butyl 2-[4-[bis[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-5-oxo-1,2,4-triazol-1-yl]acetate","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-[4-[bis[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-5-oxo-1,2,4-triazol-1-yl]acetate","","CC(C)(C)OC(=O)CN1C(=O)N(C=N1)N(C(=O)C(=NOC)C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C(=NOC)C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9","DTSWFOVEOZBVFW-FSIJVJSDSA-N","16129786",NA,"PDBC54025","660854","Present"
-"Tert-butyl 2-[4-[methyl-(2-phenylacetyl)amino]-1,2,4-triazol-1-ium-1-yl]acetate;bromide","","","","","","","","","","","","","","","","","","","","1-(2-Tert-butoxy-2-oxoethyl)-4-[methyl(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium bromide","","CC(C)(C)OC(=O)C[N+]1=CN(C=N1)N(C)C(=O)CC2=CC=CC=C2.[Br-]","LRRFBJKINIZJSP-UHFFFAOYSA-M","378423",NA,"PDBC54026","660843","Present"
-"Tert-butyl 2-[5-oxo-4-[(2-phenylacetyl)amino]-1,2,4-triazol-1-yl]acetate","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-[5-oxo-4-[(2-phenylacetyl)amino]-1,2,4-triazol-1-yl]acetate","","CC(C)(C)OC(=O)CN1C(=O)N(C=N1)NC(=O)CC2=CC=CC=C2","PMNQGGXLFKDVJN-UHFFFAOYSA-N","378425",NA,"PDBC54027","660844","Present"
-"Tert-butyl 2-amino-1-benzyl-7a-methyl-5-oxoindole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 2-amino-1-benzyl-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate","","CC12C=CC(=CC1=C(C(=N)N2CC3=CC=CC=C3)C(=O)OC(C)(C)C)O","PYLOACCUJGLZJG-UHFFFAOYSA-N","135450441",NA,"PDBC54028","674196","Present"
-"Tert-butyl 2-ethyl-4,8-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-ethyl-4,8-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate","","CCC1(C2(O1)C(CCCC2C)C)C(=O)OC(C)(C)C","PVUNGSLGVXBMOD-UHFFFAOYSA-N","403154",NA,"PDBC54029","717803","Present"
-"Tert-butyl 2-oxopyrrolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","N-boc-pyrrolidone","","CC(C)(C)OC(=O)N1CCCC1=O","GJJYYMXBCYYXPQ-UHFFFAOYSA-N","379000",NA,"PDBC54030","662770","Present"
-"Tert-butyl 3,3-bis(phenylsulfonyl)propanoate","","","","","","","","","","","","","","","","","","","","3,3-dibesylpropionic acid tert-butyl ester","","CC(C)(C)OC(=O)CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2","YNHBIXOJTJRVCJ-UHFFFAOYSA-N","279782",NA,"PDBC54031","131064","Present"
-"Tert-butyl 3,5-diphenylpyrazolidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 3,5-diphenylpyrazolidine-1-carboxylate","","CC(C)(C)OC(=O)N1C(CC(N1)C2=CC=CC=C2)C3=CC=CC=C3","SDKBYPXAQQNNQM-UHFFFAOYSA-N","395345",NA,"PDBC54032","699827","Present"
-"Tert-butyl 3-(1,4-benzodioxin-3-yl)pyrido[3,2-b][1,4]oxazine-4-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 3-(1,4-benzodioxin-2-yl)-4h-pyrido[3,2-b][1,4]oxazine-4-carboxylate","","CC(C)(C)OC(=O)N1C(=COC2=C1N=CC=C2)C3=COC4=CC=CC=C4O3","BKBDQNUKAHIZPI-UHFFFAOYSA-N","402895",NA,"PDBC54033","717212","Present"
-"Tert-butyl 3-(1-benzyl-2,6-dioxo-1,7-diazaspiro[4.4]nonan-9-yl)indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 3-(1-benzyl-2,6-dioxo-1,7-diazaspiro[4.4]non-9-yl)-1h-indole-1-carboxylate","","CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3CNC(=O)C34CCC(=O)N4CC5=CC=CC=C5","ULSKTSDSFMEARX-UHFFFAOYSA-N","403550",NA,"PDBC54034","718570","Present"
-"Tert-butyl 3-(1-benzyl-7-hydroxy-2,6-dioxo-1,7-diazaspiro[4.4]nonan-9-yl)indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 3-(1-benzyl-7-hydroxy-2,6-dioxo-1,7-diazaspiro[4.4]non-9-yl)-1h-indole-1-carboxylate","","CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3CN(C(=O)C34CCC(=O)N4CC5=CC=CC=C5)O","DNTZMDPLXXVPOG-UHFFFAOYSA-N","403551",NA,"PDBC54035","718571","Present"
-"Tert-butyl 3-(hydroxymethyl)-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 3-(hydroxymethyl)-1,3-dihydro-2h-pyrrolo[3,4-b]quinoline-2-carboxylate","","CC(C)(C)OC(=O)N1CC2=CC3=CC=CC=C3N=C2C1CO","HMLJGIJWOKYLQH-UHFFFAOYSA-N","287009",NA,"PDBC54036","146385","Present"
-"Tert-butyl 3-(tert-butoxycarbonylamino)-4-[[2-[(2-methoxy-1,1-dimethyl-2-oxo-ethyl)amino]-1,1-dimethyl-2-oxo-ethyl]amino]-4-oxo-butanoate","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-[[1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate","","CC(C)(C)OC(=O)CC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC)NC(=O)OC(C)(C)C","PQBACKCLKSQGSD-UHFFFAOYSA-N","382288",NA,"PDBC54037","669750","Present"
-"Tert-butyl 3-[(phenylcarbamothioylamino)methyl]indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","tert-Butyl 3-[(anilinocarbothioyl)amino]methyl-1H-1-indo...","","CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC(=S)NC3=CC=CC=C3","VMMRMAUNGFOCNX-UHFFFAOYSA-N","24204278",NA,"PDBC54038","731166","Present"
-"Tert-butyl 3-[4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-indole-1-carboxylate","","","","","","","","","","","","","","","","","","","","tert-butyl 3-[4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)...","","CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CN(C5=C4C=CC=N5)C","ANIOHQNLPQWERS-UHFFFAOYSA-N","60147978",NA,"PDBC54039","753375","Present"
-"Tert-butyl 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoate","","","","","","","","","","","","","","","","","","","","1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-carbo-t-bu...","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)OC(C)(C)C)C","SGEFAZIYGDXSDA-UHFFFAOYSA-N","383739",NA,"PDBC54040","672177","Present"
-"Tert-butyl 3-chloro-5-[1-[3-chloro-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-hydroxybenzoate","","","","","","","","","","","","","","","","","","","","(5.alpha.)-3.beta.-[4,4-Di(5'-chloro-4'-hydroxy-3'-(1-di...","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)OC(C)(C)C)C6=CC(=C(C(=C6)Cl)O)C(=O)OC(C)(C)C)C)C","MZXWOFWLZJWZFT-UTXDTMBCSA-N","388791",NA,"PDBC54041","683877","Present"
-"Tert-butyl 3-isopropyl-3,4-dihydropyrazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 3-isopropyl-3,4-dihydropyrazole-2-carboxylate","","CC(C)C1CC=NN1C(=O)OC(C)(C)C","CEHOEXVMELJLMW-UHFFFAOYSA-N","395343",NA,"PDBC54042","699825","Present"
-"Tert-butyl 3-methyl-1-(1-(2-(2-(3-methyl-1-(2-(methylamino)-2-oxoethylamino)-1-oxobutan-2-ylamino)-2-oxoethylcarbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-ylamino)-1-oxobutan-2-ylcarbamate","","","","","","","","","","","","","","","","","","","","tert-butyl 3-methyl-1-(1-(2-(2-(3-methyl-1-(2-(methylami...","","CC(C)C(C(=O)NCC(=O)NC)NC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C","GKKXKASBJYBNOV-UHFFFAOYSA-N","381422",NA,"PDBC54043","668010","Present"
-"Tert-butyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate","","CC(C)(C)OC(=O)N1C(CC=N1)C2=CC=CC=C2","ORLDPIQSTMUUAA-UHFFFAOYSA-N","395344",NA,"PDBC54044","699826","Present"
-"Tert-butyl 3a-methyl-5-oxo-2,3,4,6-tetrahydroindole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 3a-methyl-5-oxo-2,3,4,6-tetrahydroindole-1-carboxylate","","CC12CCN(C1=CCC(=O)C2)C(=O)OC(C)(C)C","FKVWKMUVQCIDMG-UHFFFAOYSA-N","397441",NA,"PDBC54045","705299","Present"
-"Tert-butyl 4-[(1-tert-butoxycarbonyl-4-piperidyl)carbamoylamino]piperidine-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-[(1-tert-butoxycarbonyl-4-piperidyl)carbamoylamino]piperidine-1-carboxylate","","CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)OC(C)(C)C","RQUOKAGJORYYOV-UHFFFAOYSA-N","392872",NA,"PDBC54046","693925","Present"
-"Tert-butyl 4-[(1R)-2-[(E,3Z)-3-hydroxy-3-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,4-dioxopyrrolidin-3-ylidene]prop-1-enyl]cyclopentyl]but-2-ynoate","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-[(1R)-2-[(E,3Z)-3-hydroxy-3-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,4-dioxopyrrolidin-3-ylidene]prop-1-enyl]cyclopentyl]but-2-ynoate","","CC(C)(C)OC(=O)C#CCC1CCCC1C=CC(=C2C(=O)C(NC2=O)CCCNC(=O)OC(C)(C)C)O","GTLDOQDKEMOBRM-NZCKWQNLSA-N","54679351",NA,"PDBC54047","620625","Present"
-"Tert-butyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate","","","","","","","","","","","","","","","","","","","","Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]- te...","","CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","UEODOTJZRJMPBM-UHFFFAOYSA-N","386094",NA,"PDBC54048","677696","Present"
-"Tert-butyl 4-[1,2-bis(phenylmethoxy)ethyl]-2,6-dioxopiperidine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-[1,2-bis(benzyloxy)ethyl]-2,6-dioxopiperidine-3-carboxylate","","CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3","HAOIFJCZNKBZFR-UHFFFAOYSA-N","386087",NA,"PDBC54049","677677","Present"
-"Tert-butyl 4-[[5-(benzyloxycarbonylamino)-1-[[2-[(3-benzyloxy-3-oxo-propyl)amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate","","","","","","","","","","","","","","","","","","","","Tert-butyl 4-[[1-[[2-methyl-1-oxo-1-[(3-oxo-3-phenylmethoxypropyl)amino]propan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoat","","CC(C)(C)OC(=O)CC(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)NCCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","XBUWUSWLEXRPEM-UHFFFAOYSA-N","382304",NA,"PDBC54050","669766","Present"
-"Tert-butyl 5,5-dimethoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 5,5-dimethoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate","","CC(C)(C)OC(=O)N1C2C3CC(C(C2N=N1)O3)(OC)OC","BOXAKRICDHUMGS-UHFFFAOYSA-N","368610",NA,"PDBC54051","639718","Present"
-"Tert-butyl 5-(acetyloxy)-5-cyano-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 8-acetyloxy-8-cyano-10-oxa-3,4,5-triazatricyclo[5.2.1.02,6]dec-4-ene-3-carboxylate","","CC(=O)OC1(CC2C3C(C1O2)N=NN3C(=O)OC(C)(C)C)C#N","IELUVYFANJILHH-UHFFFAOYSA-N","368685",NA,"PDBC54052","639817","Present"
-"Tert-butyl 5-[(E)-[(E)-(5-tert-butoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methylenehydrazono]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 5-[(E)-[(E)-[3,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methylidenehydrazinylidene]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate","","CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C=NN=CC2=C(C(=C(N2)C(=O)OC(C)(C)C)C)C","SQLFWOSEKVSTFB-KOZSXFMUSA-N","135429955",NA,"PDBC54053","624864","Present"
-"Tert-butyl 5-[(tert-butyl)oxycarbonyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihy dropyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","Di-tert-butyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate","","CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C","PDRVVFSIZJAOGA-UHFFFAOYSA-N","376364",NA,"PDBC54054","657196","Present"
-"Tert-butyl 5-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 5-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate","","CC(C)(C)OC(=O)N1C2C3CC(=O)C(C2N=N1)O3","QKGHBSABFITENT-UHFFFAOYSA-N","368687",NA,"PDBC54055","639819","Present"
-"Tert-butyl 6-(acetyloxy)-6-cyano-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 9-acetyloxy-9-cyano-10-oxa-3,4,5-triazatricyclo[5.2.1.02,6]dec-4-ene-3-carboxylate","","CC(=O)OC1(CC2C3C(C1O2)N(N=N3)C(=O)OC(C)(C)C)C#N","PVBCASQFYFFREH-UHFFFAOYSA-N","368686",NA,"PDBC54056","639818","Present"
-"Tert-butyl 6-[6-[4,5-bis[bis(2-benzyloxy-2-oxo-ethyl)amino]pentanoylamino]hexanoylamino]hexanoate","","","","","","","","","","","","","","","","","","","","Tert-butyl 6-[6-[4,5-bis[bis(2-benzyloxy-2-oxo-ethyl)amino]pentanoylamino]hexanoylamino]hexanoate","","CC(C)(C)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCC(CN(CC(=O)OCC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2)N(CC(=O)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4","NGKVSHVXUBQDIV-UHFFFAOYSA-N","387982",NA,"PDBC54057","682348","Present"
-"Tert-butyl 6-acetyloxy-6-cyano-8-oxa-3-azatricyclo[3.2.1.02,4]octane-3-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 6-acetyloxy-6-cyano-8-oxa-3-azatricyclo[3.2.1.02,4]octane-3-carboxylate","","CC(=O)OC1(CC2C3C(C1O2)N3C(=O)OC(C)(C)C)C#N","DYYPEHUEOWJADT-UHFFFAOYSA-N","368691",NA,"PDBC54058","639823","Present"
-"Tert-butyl 6-oxo-2,5,6a,7,8,9-hexahydro-1H-cyclopenta[d]indole-3-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 6-oxo-2,5,6a,7,8,9-hexahydro-1H-cyclopenta[d]indole-3-carboxylate","","CC(C)(C)OC(=O)N1CCC23C1=CCC(=O)C2CCC3","MDWJKCIAZVBUGX-UHFFFAOYSA-N","397442",NA,"PDBC54059","705300","Present"
-"Tert-butyl 6-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate","","","","","","","","","","","","","","","","","","","","Tert-butyl 6-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate","","CC(C)(C)OC(=O)N1C2C(C3CC(=O)C2O3)N=N1","OJCVYNLKKAUDPS-UHFFFAOYSA-N","368688",NA,"PDBC54060","639820","Present"
-"Tert-butyl N-(2-oxocyclopentyl)carbamate","","","","","","","","","","","","","","","","","","","","NE18025","","CC(C)(C)OC(=O)NC1CCCC1=O","UXSQXOIYRVCHBS-UHFFFAOYSA-N","357962",NA,"PDBC54061","617637","Present"
-"Tert-butyl N-(3-methylbut-3-enyl)-N-(4-propan-2-ylfuran-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-(3-methylbut-3-enyl)-N-(4-propan-2-ylfuran-2-yl)carbamate","","CC(C)C1=COC(=C1)N(CCC(=C)C)C(=O)OC(C)(C)C","RPKIMSLGSAWRJJ-UHFFFAOYSA-N","397468",NA,"PDBC54062","705326","Present"
-"Tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate","","CC(C)(C)OC(=O)N(CCCCN)CCCN","LXFKQBNEHNLMRB-UHFFFAOYSA-N","389615",NA,"PDBC54063","685961","Present"
-"Tert-butyl N-(4-benzamidobutyl)-N-(3-benzamidopropyl)carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-(4-benzamidobutyl)-N-(3-benzamidopropyl)carbamate","","CC(C)(C)OC(=O)N(CCCCNC(=O)C1=CC=CC=C1)CCCNC(=O)C2=CC=CC=C2","RXBQKHVFBPJZAP-UHFFFAOYSA-N","389616",NA,"PDBC54064","685962","Present"
-"Tert-butyl N-(4-phenylfuran-2-yl)carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-(4-phenylfuran-2-yl)carbamate","","CC(C)(C)OC(=O)NC1=CC(=CO1)C2=CC=CC=C2","RQVJFXQJAKVJDA-UHFFFAOYSA-N","397467",NA,"PDBC54065","705325","Present"
-"Tert-butyl N-(4-tert-butylcyclohexyl)carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-(4-tert-butylcyclohexyl)carbamate","","CC(C)(C)C1CCC(CC1)NC(=O)OC(C)(C)C","PDIJCYYZMPOVRD-UHFFFAOYSA-N","359238",NA,"PDBC54066","619947","Present"
-"Tert-butyl N-[(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxycarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxycarbamate","","CC(C)(C)OC(=O)N(C1CCC(C1)N2C=NC3=C(N=CN=C32)N)O","YREGLQMLOYKNSK-VHSXEESVSA-N","396007",NA,"PDBC54067","701176","Present"
-"Tert-butyl N-[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxycarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxycarbamate","","CC(C)(C)OC(=O)N(C1CC(C=C1)N2C=NC3=C(N=CN=C32)N)O","XPIJRPPOKSIAMW-VHSXEESVSA-N","395999",NA,"PDBC54068","701171","Present"
-"Tert-butyl N-[(2R)-2-hydroxycyclopentyl]carbamate","","","","","","","","","","","","","","","","","","","","NSC617636","","CC(C)(C)OC(=O)NC1CCCC1O","CGZQRJSADXRRKN-BRFYHDHCSA-N","357961",NA,"PDBC54069","617636","Present"
-"Tert-butyl N-[(2S)-1-[(3S)-3-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]pyrazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[(2S)-1-[(3S)-3-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]pyrazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate","","CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C4CCN(N4)C(=O)C(CC5=CC=CC=C5)NC(=O)OC(C)(C)C)C","OBUKIXLUDSTZRW-IZJCFNCDSA-N","396842",NA,"PDBC54070","703866","Present"
-"Tert-butyl N-[(3-isothiocyanatophenyl)methyl]carbamate","","","","","","","","","","","","","","","","","","","","tert-butyl (3-isothiocyanatobenzyl)carbamate","","CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N=C=S","MLVVCEIYZJBDQX-UHFFFAOYSA-N","19773427",NA,"PDBC54071","784411","Present"
-"Tert-butyl N-[(3aS,4S,7S,7aS)-2,5-dimethyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]-N-(4-methoxyphenyl)carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[(3aS,4S,7S,7aS)-2,5-dimethyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]-N-(4-methoxyphenyl)carbamate","","CC1=CC=C(C=C1)S(=O)C2C=C(C(C3C2C(=O)N(C3=O)C)N(C4=CC=C(C=C4)OC)C(=O)OC(C)(C)C)C","IPZASLGZVITCBG-KJKZWSSPSA-N","9572566",NA,"PDBC54072","720266","Present"
-"Tert-butyl N-[(E)-1-aminopropylideneamino]carbamate","","","","","","","","","","","","","","","","","","","","NSC683290","","CCC(=NNC(=O)OC(C)(C)C)N","DHIIGGBUSJELIL-UHFFFAOYSA-N","5466272",NA,"PDBC54073","683290","Present"
-"Tert-butyl N-[(Z)-1-cyclohexyl-3-oxoprop-1-en-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[(Z)-1-cyclohexyl-3-oxoprop-1-en-2-yl]carbamate","","CC(C)(C)OC(=O)NC(=CC1CCCCC1)C=O","MRCBRTDILSUIIQ-XFXZXTDPSA-N","5470800",NA,"PDBC54074","705170","Present"
-"Tert-butyl N-[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxy-3a,7a-dihydroindol-5-yl]-N-prop-2-enylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxy-3a,7a-dihydroindol-5-yl]-N-prop-2-enylcarbamate","","CC1=CN(C2C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)C(=O)OC(C)(C)C)S(=O)(=O)C4=CC=CC=C4","NUGGQTOZGJKVJS-UHFFFAOYSA-N","396963",NA,"PDBC54075","704200","Present"
-"Tert-butyl N-[1-(benzylamino)-1-oxo-3-(5-phenylmethoxypyridin-2-yl)propan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-(benzylamino)-1-oxo-3-(5-phenylmethoxypyridin-2-yl)propan-2-yl]carbamate","","CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3","YQUQMCNBOBSLRO-UHFFFAOYSA-N","400187",NA,"PDBC54076","711706","Present"
-"Tert-butyl N-[1-[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-[(4-benzoylphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-[(4-benzoylphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate","","CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)CCCCN4C5=C(C=C(C=C5)N=[N+]=[N-])SC6=CC=CC=C64","HYJPZDPATAQIEB-UHFFFAOYSA-N","386361",NA,"PDBC54077","678157","Present"
-"Tert-butyl N-[1-[[1-[[1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-butoxyphenyl)-1-oxopropan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-[[1-[[1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-butoxyphenyl)-1-oxopropan-2-yl]carbamate","","CCCCOC1=CC=C(C=C1)CC(C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)N)NC(=O)OC(C)(C)C","LGSHIBLFLYRFNF-UHFFFAOYSA-N","6712837",NA,"PDBC54078","716694","Present"
-"Tert-butyl N-[1-[[1-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","NSC668900///NSC668901","","CC(C)CC(C(=O)NC)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C","XLUAMXNDSQJTCX-UHFFFAOYSA-N","381828",NA,"PDBC54079","668900///668901","Present"
-"Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-piperidin-1-ylpropan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-piperidin-1-ylpropan-2-yl]carbamate","","CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCCCC3","MYOJCOVWLGCKIS-UHFFFAOYSA-N","400189",NA,"PDBC54080","711708","Present"
-"Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-pyrrolidin-1-ylpropan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-pyrrolidin-1-ylpropan-2-yl]carbamate","","CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCCC3","AVSLGCNIHAEBML-UHFFFAOYSA-N","400188",NA,"PDBC54081","711707","Present"
-"Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-thiomorpholin-4-ylpropan-2-yl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-thiomorpholin-4-ylpropan-2-yl]carbamate","","CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCSCC3","VXPRVUQNCLJWPW-UHFFFAOYSA-N","400190",NA,"PDBC54082","711709","Present"
-"Tert-butyl N-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethyl]carbamate","","CC(C)(C)OC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)C3=CC=CC=C3","FVXRGBPQHHLHCO-UHFFFAOYSA-N","394088",NA,"PDBC54083","697226","Present"
-"Tert-butyl N-[2-(2-anilinoethylamino)ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-(2-anilinoethylamino)ethyl]carbamate","","CC(C)(C)OC(=O)NCCNCCNC1=CC=CC=C1","MEMDJFQKOBLTMX-UHFFFAOYSA-N","390719",NA,"PDBC54084","688361","Present"
-"Tert-butyl N-[2-(4-aminophenyl)ethyl]carbamate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC669666","","CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)N.Cl","HLDPIFQTQYIUBL-UHFFFAOYSA-N","382206",NA,"PDBC54085","669666","Present"
-"Tert-butyl N-[2-(4-methoxy-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]anilino)-2-oxoethyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-(4-methoxy-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]anilino)-2-oxoethyl]carbamate","","CC(C)(C)OC(=O)NCC(=O)N(CC(=O)NCCC[Te]C1=CC=CC=C1)C2=CC=C(C=C2)OC","NREKVXDAIMNRNL-UHFFFAOYSA-N","54613363",NA,"PDBC54086","751131","Present"
-"Tert-butyl N-[2-(cyclopentene-1-carbonyl)cyclopentyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-(cyclopentene-1-carbonyl)cyclopentyl]carbamate","","CC(C)(C)OC(=O)NC1CCCC1C(=O)C2=CCCC2","MZEJHRYESWYBFS-UHFFFAOYSA-N","395357",NA,"PDBC54087","699839","Present"
-"Tert-butyl N-[2-[2-(3,4-dichlorophenyl)ethyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]carbamate;oxalic acid","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[2-(3,4-dichlorophenyl)ethyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]carbamate;oxalic acid","","CC(C)(C)OC(=O)NCC(=O)N(CCC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2.C(=O)(C(=O)O)O","BXIMIPOGWJURFW-UHFFFAOYSA-N","398616",NA,"PDBC54088","708566","Present"
-"Tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate","","CC(C)(C)OC(=O)NCC(=O)N1CCCN(CC1)C(=O)CNC(=O)OC(C)(C)C","HXCBSYYURNWKCQ-UHFFFAOYSA-N","398091",NA,"PDBC54089","707455","Present"
-"Tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]carbamate","","CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(=O)CNC(=O)OC(C)(C)C","JJPRQQAVDAJBQH-UHFFFAOYSA-N","398092",NA,"PDBC54090","707457","Present"
-"Tert-butyl N-[2-[[(5S,6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-2-oxoethyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[[(5S,6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-2-oxoethyl]carbamate","","CC(C)(C)OC(=O)NCC(=O)NC1C(C(=NO)C2=C1C=CS2)O","ZSGYMOFSOULYKR-GGHAQYGFSA-N","9571977",NA,"PDBC54091","681947","Present"
-"Tert-butyl N-[2-[di(cyclopenten-1-yl)-hydroxy-methyl]cyclopentyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[di(cyclopenten-1-yl)-hydroxy-methyl]cyclopentyl]carbamate","","CC(C)(C)OC(=O)NC1CCCC1C(C2=CCCC2)(C3=CCCC3)O","OBVRINWDSAUMTD-UHFFFAOYSA-N","395359",NA,"PDBC54092","699841","Present"
-"Tert-butyl N-[3-(6-aminopurin-9-yl)propyl]-N-hydroxycarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[3-(6-aminopurin-9-yl)propyl]-N-hydroxycarbamate","","CC(C)(C)OC(=O)N(CCCN1C=NC2=C(N=CN=C21)N)O","VHBUZNNLPCKZOL-UHFFFAOYSA-N","396008",NA,"PDBC54093","701177","Present"
-"Tert-butyl N-[3-(tert-butoxycarbonylamino)-2-(4-carbamoylthiazol-2-yl)propyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[3-(tert-butoxycarbonylamino)-2-(4-carbamoylthiazol-2-yl)propyl]carbamate","","CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C1=NC(=CS1)C(=O)N","AATHPCGBFQJIKL-UHFFFAOYSA-N","390568",NA,"PDBC54094","688077","Present"
-"Tert-butyl N-[3-(tert-butoxycarbonylamino)-2-[4-[4-(3-methylsulfanylpropylcarbamoyl)thiazol-2-yl]thiazol-2-yl]propyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]propyl]carbamate","","CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCSC","MUDZNBUIZOQPIT-UHFFFAOYSA-N","390569",NA,"PDBC54095","688078","Present"
-"Tert-butyl N-[3-[6-(cyclopropylamino)purin-9-yl]propyl]-N-hydroxycarbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[3-[6-(cyclopropylamino)purin-9-yl]propyl]-N-hydroxycarbamate","","CC(C)(C)OC(=O)N(CCCN1C=NC2=C(N=CN=C21)NC3CC3)O","YCVSJYRIFZPRES-UHFFFAOYSA-N","396006",NA,"PDBC54096","701175","Present"
-"Tert-butyl N-[3-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]propyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[3-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]propyl]carbamate","","CC(C)(C)OC(=O)NCCCNC1(CCCCC1)C2=CC3=CC=CC=C3S2","YWMVNGZPUKPREF-UHFFFAOYSA-N","398398",NA,"PDBC54097","708110","Present"
-"Tert-butyl N-[4-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)butyl]carbamate","","","","","","","","","","","","","","","","","","","","5,6-Dihydro-6-[(4-tert-butyloxycarbonylamino)-1-butyl]-5...","","CC(C)(C)OC(=O)NCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","OLWVGPOKDFWYTB-UHFFFAOYSA-N","11486911",NA,"PDBC54098","726768","Present"
-"Tert-butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl 4-((trifluoroacetyl)amino)butyl(3-((trifluoroacetyl)amino)propyl)carbamate","","CC(C)(C)OC(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","HEKUJOZWBBJHNW-UHFFFAOYSA-N","389614",NA,"PDBC54099","685960","Present"
-"Tert-butyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cuban-1-yl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[4-(tert-butoxycarbonylamino)cuban-1-yl]carbamate","","CC(C)(C)OC(=O)NC12C3C4C1C5C2C3C45NC(=O)OC(C)(C)C","GLIIDSDAHUGWAH-UHFFFAOYSA-N","386909",NA,"PDBC54100","679810","Present"
-"Tert-butyl N-[4-[(8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[4-[(8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate","","CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)CCCCNC(=O)OC(C)(C)C)C4=CC=CC=C4N2","GYNFOCMRARYTHB-HRTMPFAESA-N","397177",NA,"PDBC54101","704582","Present"
-"Tert-butyl N-[4-[(8S)-2-cyclohexyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[4-[(8S)-2-cyclohexyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate","","CC(C)(C)OC(=O)NCCCCC1C(=O)N2C(CC3=C(C2C4CCCCC4)NC5=CC=CC=C35)C(=O)N1","GRVNDNOOQYQOGD-KJXWVISYSA-N","397173",NA,"PDBC54102","704578","Present"
-"Tert-butyl N-[4-[(8S)-2-ethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[4-[(8S)-2-ethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate","","CCC1C2=C(CC3N1C(=O)C(NC3=O)CCCCNC(=O)OC(C)(C)C)C4=CC=CC=C4N2","KCEWFCSNNHGHDJ-MHJFOBGBSA-N","397164",NA,"PDBC54103","704569","Present"
-"Tert-butyl N-[4-[(8S)-4,7-dioxo-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[4-[(8S)-4,7-dioxo-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate","","CC(C)(C)OC(=O)NCCCCC1C(=O)N2C(CC3=C(C2C4=CC=CC=C4)NC5=CC=CC=C35)C(=O)N1","LRUNISZEIPZHFK-KJXWVISYSA-N","397168",NA,"PDBC54104","704573","Present"
-"Tert-butyl N-[4-[1-benzyl-4-(2-diethoxyphosphorylacetyl)-3-hydroxy-5-oxo-2H-pyrrol-2-yl]butyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[4-[1-benzyl-4-(2-diethoxyphosphorylacetyl)-3-hydroxy-5-oxo-2H-pyrrol-2-yl]butyl]carbamate","","CCOP(=O)(CC(=O)C1=C(C(N(C1=O)CC2=CC=CC=C2)CCCCNC(=O)OC(C)(C)C)O)OCC","JNQFUOXMQBUVKI-UHFFFAOYSA-N","54676215",NA,"PDBC54105","620616","Present"
-"Tert-butyl N-[4-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]-4-oxobutyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[4-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]-4-oxobutyl]carbamate","","CC(C)(C)OC(=O)NCCCC(=O)NC1(CCCCC1)C2=CC3=CC=CC=C3S2","SHFKPQRFVUCEGI-UHFFFAOYSA-N","398384",NA,"PDBC54106","708097","Present"
-"Tert-butyl N-[4-acetamido-2-(tert-butoxycarbonylamino)cyclohexyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[4-acetamido-2-(tert-butoxycarbonylamino)cyclohexyl]carbamate","","CC(=O)NC1CCC(C(C1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C","QEHFAHSIVHFASZ-UHFFFAOYSA-N","384584",NA,"PDBC54107","674597","Present"
-"Tert-butyl N-[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamoylamino]hexyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamoylamino]hexyl]carbamate","","CC(CCCCNC(=O)OC(C)(C)C)NC(=O)NC(C)CCCCNC(=O)OC(C)(C)C","WNFRXUVKTJASSL-UHFFFAOYSA-N","399266",NA,"PDBC54108","709958","Present"
-"Tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexyl]carbamate","","CC(C)(C)OC(=O)NCCCCC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24","RNVVFPQNNZBDMQ-UHFFFAOYSA-N","383818",NA,"PDBC54109","672434","Present"
-"Tert-butyl N-methoxy-N-phenylcarbamate","","","","","","","","","","","","","","","","","","","","Tert-Butyl methoxy(phenyl)carbamate","","CC(C)(C)OC(=O)N(C1=CC=CC=C1)OC","GECHGVLXFGBRFH-UHFFFAOYSA-N","392338",NA,"PDBC54110","692614","Present"
-"Tert-butyl N-methyl-N-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylsulfanyl]ethyl]carbamate","","","","","","","","","","","","","","","","","","","","Tert-butyl N-methyl-N-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylsulfanyl]ethyl]carbamate","","CC(C)(C)OC(=O)N(C)CCSCCN(C)C(=O)OC(C)(C)C","NRVDBKWUGGHLBI-UHFFFAOYSA-N","397190",NA,"PDBC54111","704597","Present"
-"Tert-butyl(oxido)oxidanium;5-chloro-2-[(5-chloro-2-oxidophenyl)methylideneamino]phenolate;oxovanadium","","","","","","","","","","","","","","","","","","","","Tert-butyl(oxido)oxidanium;5-chloro-2-[(5-chloro-2-oxidophenyl)methylideneamino]phenolate;oxovanadium","","CC(C)(C)[OH+][O-].C1=CC(=C(C=C1Cl)[O-])N=CC2=C(C=CC(=C2)Cl)[O-].O=[V]","AQHXNEQSLLRTFU-UHFFFAOYSA-L","6711291",NA,"PDBC54112","614925","Present"
-"Tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane","","","","","","","","","","","","","","","","","","","","Tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane","","CC=CC(CC=C(C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","NCUBKCSLYCLMJM-UUVOMYAKSA-N","5387042",NA,"PDBC54113","619969","Present"
-"Tert-butyl-[(E)-5-[(5S)-5-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-3,7-dienyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-3-methylpent-2-enoxy]-diphenylsilane","","","","","","","","","","","","","","","","","","","","Tert-butyl-[(E)-5-[(5S)-5-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-3,7-dienyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-3-methylpent-2-enoxy]-diphenylsilane","","CC(=CCCC1(C(OC(O1)(C)C)CCC(=CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C)C)CCC=CCO[Si](C)(C)C(C)(C)C","UTDGYZGKPVRQQO-RVGWBIFJSA-N","5387050",NA,"PDBC54114","619984","Present"
-"Tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-methoxyphenoxy]-dimethylsilane","","","","","","","","","","","","","","","","","","","","Tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-methoxyphenoxy]-dimethylsilane","","CC(C)(C)[Si](C)(C)OC1=CC(=C(C=C1)OC)C(CC=C)O[Si](C)(C)C(C)(C)C","OVVPJUIZXCNNEM-UHFFFAOYSA-N","358359",NA,"PDBC54115","618325","Present"
-"Tert-butyl-[3-[tert-butyl(methyl)phosphaniumyl]quinoxalin-2-yl]-methylphosphanium;gold(1+);chloride","","","","","","","","","","","","","","","","","","","","Tert-butyl-[3-[tert-butyl(methyl)phosphaniumyl]quinoxalin-2-yl]-methylphosphanium;gold(1+);chloride","","CC(C)(C)[PH+](C)C1=NC2=CC=CC=C2N=C1[PH+](C)C(C)(C)C.CC(C)(C)[PH+](C)C1=NC2=CC=CC=C2N=C1[PH+](C)C(C)(C)C.[Cl-].[Au+]","MAWPZHTVBDJQKE-UHFFFAOYSA-Q","54613360",NA,"PDBC54116","750634","Present"
-"Tert-butyl-[5-[(5R)-5-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]pentoxy]-diphenylsilane","","","","","","","","","","","","","","","","","","","","Tert-butyl-[5-[(5R)-5-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]pentoxy]-diphenylsilane","","CCCCCC1CCCC2C1CCC(N2)CCCCCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C","PBOVJYYHOUXFBG-XGEQHHTPSA-N","357804",NA,"PDBC54117","617332","Present"
-"Tert-butyl-[[(3S,8R,10S,13R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane","","","","","","","","","","","","","","","","","","","","Tert-butyl-[[(3S,8R,10S,13R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane","","CC(C)C(C)CCC(C)C1CC=C2C1(CCC3C2CCC4C3(CCC(C4)O[Si](C)(C)C(C)(C)C)C)C","ZDHZLSKPLHWFMW-MWCBHAHUSA-N","6711345",NA,"PDBC54118","620561","Present"
-"Tert-butyl-[[1-[2-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-naphthyl]-2-naphthyl]oxy]-dimethyl-silane","","","","","","","","","","","","","","","","","","","","Tert-butyl-[[1-[2-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-naphthyl]-2-naphthyl]oxy]-dimethyl-silane","","CC(C)C1COC(=N1)C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O[Si](C)(C)C(C)(C)C","IFPRIRSMYGSWIJ-UHFFFAOYSA-N","370749",NA,"PDBC54119","644272","Present"
-"Tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane","","","","","","","","","","","","","","","","","","","","Tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane","","CC=C(C)CCC=CCO[Si](C)(C)C(C)(C)C","PCZNVUJKDMKJJL-NKLYCRJGSA-N","5387051",NA,"PDBC54120","619985","Present"
-"Tert-butyl-dimethyl-[[(1S,3S,4R,7R,10S)-5-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane","","","","","","","","","","","","","","","","","","","","Tert-butyl-dimethyl-[[(1S,3S,4R,7R,10S)-5-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane","","CC1=CC=C(C=C1)S(=O)(=O)N2CC3CCC4(C3C2C(N4)C5=CC=CC=C5)CO[Si](C)(C)C(C)(C)C","LUCIQHVGOJQLIA-HRUXOILCSA-N","401751",NA,"PDBC54121","715481","Present"
-"Tesimide","","","","","","","","","","","","","","","","","","","","tesimide(usan)","","C1CCC2=C(C1)C(=CC3=CC=CC=C3)C(=O)NC2=O","JFTOCKFCHJCDDX-UVTDQMKNSA-N","5384729",NA,"PDBC54122","356718","Present"
-"Tesmilifene hydrochloride","","","","","","","","","","","","","","","","","","","","Tesmilifene hydrochloride","","CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2.Cl","TXLHNFOLHRXMAU-UHFFFAOYSA-N","175534",NA,"PDBC54123","600011","Present"
-"Testolactone","","","","","","","","","","","","","","","","","","","","TESTOLACTONE","","CC12CCC3C(C1CCC(=O)O2)CCC4=CC(=O)C=CC34C","BPEWUONYVDABNZ-DZBHQSCQSA-N","13769",NA,"PDBC54124","23759","Present"
-"Tetra(4-dimethylaminophenyl)tin","","","","","","","","","","","","","","","","","","","","tetra(4-dimethylaminophenyl)tin","","CN(C)C1=CC=C(C=C1)[Sn](C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C","OWPSKSWQLAZFEJ-UHFFFAOYSA-N","364486",NA,"PDBC54125","630825","Present"
-"Tetra(4-dimethylaminophenyl)tin tetramethiodide","","","","","","","","","","","","","","","","","","","","tetra(4-dimethylaminophenyl)tin tetramethiodide","","C[N+](C)(C)C1=CC=C(C=C1)[Sn](C2=CC=C(C=C2)[N+](C)(C)C)(C3=CC=C(C=C3)[N+](C)(C)C)C4=CC=C(C=C4)[N+](C)(C)C.[I-]","LULQHGKMCMDRJK-UHFFFAOYSA-M","364484",NA,"PDBC54126","630824","Present"
-"Tetra(4-methoxyphenol)tin","","","","","","","","","","","","","","","","","","","","tetra(4-methoxyphenol)tin","","COC1=CC=C(C=C1)[Sn](C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","GOCMMWUJTFRWGG-UHFFFAOYSA-N","364483",NA,"PDBC54127","630823","Present"
-"Tetra(N-methyl-2-pyridyl)-porphyrin Chloride","","","","","","","","","","","","","","","","","","","","Tetra(N-methyl-2-pyridyl)-porphyrin Chloride","","C[N+]1=CC=CC=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6C=CC2N6)C7=CC=CC=[N+]7C)C=C5)C8=CC=CC=[N+]8C)N4)C9=CC=CC=[N+]9C.[Cl-]","YFUXGMWJHRNUKW-UHFFFAOYSA-N","5471231",NA,"PDBC54128","709848","Present"
-"Tetra(N-methyl-4-pyridyl)-porphyrin Chloride","","","","","","","","","","","","","","","","","","","","Tetra(N-methyl-4-pyridyl)-porphyrin Chloride","","C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6C=CC2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)N4)C9=CC=[N+](C=C9)C.[Cl-]","LKRJLHVIXOTLTN-UHFFFAOYSA-N","5471229",NA,"PDBC54129","709847","Present"
-"Tetra(tert-butyl) 1,4-diallyl-2,5-dimethoxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetra(tert-butyl) 1,4-diallyl-2,5-dimethoxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate","","CC(C)(C)OC(=O)C1=C(C(C2C1C(C(=C2C(=O)OC(C)(C)C)OC)(CC=C)C(=O)OC(C)(C)C)(CC=C)C(=O)OC(C)(C)C)OC","UKCKGXZSOBPMRS-UHFFFAOYSA-N","363106",NA,"PDBC54130","627676","Present"
-"Tetra-.mu.-acetato(O1,O2)-dimolybdenum(II)","","","","","","","","","","","","","","","","","","","","Tetra-.mu.-acetato(O1,O2)-dimolybdenum(II)","","CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Mo+2].[Mo+2]","DOOLFANBWPPEGQ-UHFFFAOYSA-J","366095",NA,"PDBC54131","634362","Present"
-"Tetra-N-(S)-1-phenyl ethylamine b-Ala","","","","","","","","","","","","","","","","","","","","tetra-n-(s)-1-phenyl ethylamine b-ala","","CC(C1=CC=CC=C1)NCCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)O)C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3)C(C)C4=CC=CC=C4","HCFYXPYEIYXRNQ-MGXDLYCJSA-N","45028381",NA,"PDBC54132","742383","Present"
-"Tetra-O-methyl nordihydroguaiaretic acid","","","","","","","","","","","","","","","","","","","","Terameprocol","","CC(CC1=CC(=C(C=C1)OC)OC)C(C)CC2=CC(=C(C=C2)OC)OC","ORQFDHFZSMXRLM-UHFFFAOYSA-N","97616",NA,"PDBC54133","136955","Present"
-"Tetra-p-anisidyl-oxalamidine","","","","","","","","","","","","","","","","","","","","Tetra-p-anisidyl-oxalamidine","","COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)OC)NC4=CC=C(C=C4)OC","ARXYQPDWSPCPBP-UHFFFAOYSA-N","388030",NA,"PDBC54134","682455","Present"
-"Tetraacetoneoximatotitanium(IV)","","","","","","","","","","","","","","","","","","","","Tetraacetoneoximatotitanium(IV)","","CC(=NO)C.CC(=NO)C.CC(=NO)C.CC(=NO)C.[Ti]","KUMWUIGRDPDVRK-UHFFFAOYSA-N","366540",NA,"PDBC54135","635154","Present"
-"Tetrabenzo(b,j,n)(1,5,9,13)tetracyclohexadecaneplatinum-(II)]dichloride","","","","","","","","","","","","","","","","","","","","Tetrabenzo(b,f,j,n)(1,5,9,13)tetracyclohexadecaneplatinu...","","C1=CC=C2C(=C1)C=NC3=CC=CC=C3C=NC4=CC=CC=C4C=NC5=CC=CC=C5C=N2.[Cl-].[Pt+2]","NNWHEZOGUUMKIZ-UHFFFAOYSA-M","54608915",NA,"PDBC54136","633560","Present"
-"Tetrabromo-3-cyclopentene-1,2-dione","","","","","","","","","","","","","","","","","","","","Tetrabromo-3-cyclopentene-1,2-dione","","C1(=C(C(C(=O)C1=O)(Br)Br)Br)Br","RSKJTAAOMZSDTP-UHFFFAOYSA-N","361817",NA,"PDBC54137","625134","Present"
-"Tetrabromobis(2,2,6-trimethyl-3,5-heptanedionato)- di-.m...","","","","","","","","","","","","","","","","","","","","Tetrabromobis(2,2,6-trimethyl-3,5-heptanedionato)- di-.m...","","","","",NA,"PDBC54138","632808","Present"
-"Tetrabutylammonium tris(pentafluoroethyl)trifluorophosphate","","","","","","","","","","","","","","","","","","","","Tetrabutylammonium tris(pentafluoroethyl)trifluorophosphate","","CCCC[P+](CCCC)(CCCC)CCCC.C(C(F)(F)[P-](C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)(F)F)(F)(F)F","MPHWFTFOTMAHTJ-UHFFFAOYSA-N","21977446",NA,"PDBC54139","747273","Present"
-"Tetracarbonyldichloro-.mu.-(benzole-1,4-diamine)-(N1,N2)...","","","","","","","","","","","","","","","","","","","","Tetracarbonyldichloro-.mu.-(benzole-1,4-diamine)-(N1,N2)...","","","","",NA,"PDBC54140","632874","Present"
-"Tetracarboxy iron phthalocyanine","","","","","","","","","","","","","","","","","","","","Tetracarboxy iron phthalocyanine","","C1=CC2=C(C=C1C(=O)[O-])C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)C(=O)[O-])C(=N7)N=C2[N-]3)C(=O)[O-])C9=C4C=CC(=C9)C(=O)[O-].[Fe+2]","MZUMAZJKCGXGHA-UHFFFAOYSA-H","369296",NA,"PDBC54141","641046","Present"
-"Tetracarboxyamide cobalt phthalocyanine","","","","","","","","","","","","","","","","","","","","Tetracarboxyamide cobalt phthalocyanine","","C1=CC2=C(C=C1C(=O)N)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)C(=O)N)C(=N7)N=C2[N-]3)C(=O)N)C9=C4C=CC(=C9)C(=O)N.[Co+2]","VVXNISPTVYJSFM-UHFFFAOYSA-L","369298",NA,"PDBC54142","641047","Present"
-"Tetracarboxyphthalocyanine-Gadolinium","","","","","","","","","","","","","","","","","","","","Tetracarboxyphthalocyanine-Gadolinium","","C1=CC2=C(C=C1C(=O)[O-])C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)C(=O)[O-])C(=N7)N=C2[N-]3)C(=O)[O-])C9=C4C=CC(=C9)C(=O)[O-].[K+].[Gd+3]","WXOTXMJBQOADGK-UHFFFAOYSA-H","54608636",NA,"PDBC54143","640688","Present"
-"Tetracenomycin C","","","","","","","","","","","","","","","","","","","","Tetracenomycin C","","","","",NA,"PDBC54144","309451","Present"
-"Tetracenomycin C, amino-butyryl-","","","","","","","","","","","","","","","","","","","","TETRACENOMYCIN C, AMINO-BUTYRYL-","","CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4(C(=O)C=C(C(=C4C3=O)OC(=O)CC(C)N)OC)O)OC)C(=O)OC.Cl","FTVKQYHEOUTFNU-UHFFFAOYSA-N","24200289",NA,"PDBC54145","365356","Present"
-"Tetrachloro-2,2'-bichinolineniobium(V)chloride","","","","","","","","","","","","","","","","","","","","Tetrachloro-2,2'-bichinolineniobium(V)chloride","","","","",NA,"PDBC54146","632726","Present"
-"Tetrachloro-2,2'-bipyridineniobium(V)chloride","","","","","","","","","","","","","","","","","","","","Tetrachloro-2,2'-bipyridineniobium(V)chloride","","","","",NA,"PDBC54147","632725","Present"
-"Tetrachloro-9,10-phenanthrolineniobium(V)chloride","","","","","","","","","","","","","","","","","","","","Tetrachloro-9,10-phenanthrolineniobium(V)chloride","","","","",NA,"PDBC54148","632591","Present"
-"Tetrachlorobis(2,2,6-trimethyl-3,5-heptanedionato)- di-....","","","","","","","","","","","","","","","","","","","","Tetrachlorobis(2,2,6-trimethyl-3,5-heptanedionato)- di-....","","","","",NA,"PDBC54149","632809","Present"
-"Tetrachlorobis(4-amino-4H-1,2,4-triazole)ruthenium(IV) t...","","","","","","","","","","","","","","","","","","","","Tetrachlorobis(4-amino-4H-1,2,4-triazole)ruthenium(IV) t...","","","","",NA,"PDBC54150","632866","Present"
-"Tetrachlorobis(4-dimethylaminopyridine)titanium(IV)","","","","","","","","","","","","","","","","","","","","Tetrachlorobis(4-dimethylaminopyridine)titanium(IV)","","","","",NA,"PDBC54151","637802","Present"
-"Tetrachlorocatechol","","","","","","","","","","","","","","","","","","","","tetrachlorocatechol","","C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O)O","RRBMVWQICIXSEO-UHFFFAOYSA-N","14537",NA,"PDBC54152","29027","Present"
-"Tetracyanoethylene-Cyclohepta[cd]benzofuran Diels Alder ...","","","","","","","","","","","","","","","","","","","","Tetracyanoethylene-Cyclohepta[cd]benzofuran Diels Alder ...","","C1=CC2=C3C(=C1)OC=C3C4C=CC2C(C4(C#N)C#N)(C#N)C#N","IXBYUNCAQXOWQZ-UHFFFAOYSA-N","363912",NA,"PDBC54153","629301","Present"
-"Tetracyclo(6.2.1.1(3,6).0(2,7))dodec-4-ene-11-ol, stereoisomer","","","","","","","","","","","","","","","","","","","","Tetracyclo(6.2.1.1(3,6).0(2,7))dodec-4-ene-11-ol, stereoisomer","","C1CC2C3C4CC(C3C1C2O)C=C4","NGFZLQIRULRVPV-UHFFFAOYSA-N","141393",NA,"PDBC54154","625467","Present"
-"Tetradecahydro-2,3-phenazinediamine","","","","","","","","","","","","","","","","","","","","Tetradecahydro-2,3-phenazinediamine","","C1CCC2C(C1)NC3CC(C(CC3N2)N)N","IVGKTVAEYQVELZ-UHFFFAOYSA-N","381308",NA,"PDBC54155","667746","Present"
-"Tetradecahydropyrazino[2,3-g]quinoxaline-2,3,7,8-tetrol","","","","","","","","","","","","","","","","","","","","Tetradecahydropyrazino[2,3-g]quinoxaline-2,3,7,8-tetrol","","C1C2C(CC3C1NC(C(N3)O)O)NC(C(N2)O)O","OFPNLNKBXSYWGV-UHFFFAOYSA-N","381327",NA,"PDBC54156","667848","Present"
-"Tetradecanoic acid--4-O-hexopyranosylhexose (1/1)","","","","","","","","","","","","","","","","","","","","Tetradecanoic acid--4-O-hexopyranosylhexose (1/1)","","CCCCCCCCCCCCCC(=O)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O","YQWORSHOGLRIKL-UHFFFAOYSA-N","303617",NA,"PDBC54157","192744","Present"
-"Tetradecylamine","","","","","","","","","","","","","","","","","","","","myristylamine","","CCCCCCCCCCCCCCN","PLZVEHJLHYMBBY-UHFFFAOYSA-N","16217",NA,"PDBC54158","66437","Present"
-"Tetradecylpyridinium bromide","","","","","","","","","","","","","","","","","","","","Fixanol VR","","CCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]","HJNAJKBRYDFICV-UHFFFAOYSA-M","62379",NA,"PDBC54159","148339","Present"
-"Tetraethyl 10,27-bis(sulfanylidene)-3,7,9,11,13,17,20,24,26,28,30,34-dodecathia-35,36,37,38-tetrazaheptacyclo[30.2.1.12,5.115,18.119,22.08,12.025,29]octatriaconta-1(35),2(38),4,8(12),15,18(37),19(36),21,25(29),32-decaene-4,16,21,33-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetraethyl 10,27-bis(sulfanylidene)-3,7,9,11,13,17,20,24,26,28,30,34-dodecathia-35,36,37,38-tetrazaheptacyclo[30.2.1.12,5.115,18.119,22.08,12.025,29]octatriaconta-1(35),2(38),4,8(12),15,18(37),19(36),","","CCOC(=O)C1=C2CSC3=C(SCC4=C(SC(=N4)C5=NC(=C(S5)C(=O)OCC)CSC6=C(SCC7=C(SC(=N7)C(=N2)S1)C(=O)OCC)SC(=S)S6)C(=O)OCC)SC(=S)S3","OZYUPTCHACFCSS-UHFFFAOYSA-N","378738",NA,"PDBC54160","661838","Present"
-"Tetraethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetraethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate","","CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)SSC2=O)C(=O)OCC","SWFNHNRUYGVKEG-UHFFFAOYSA-N","399524",NA,"PDBC54161","710387","Present"
-"Tetraethyl 4-thioxo-4H-thieno[3,2-c]thiopyran-2,3,6,7-tetracarboxylate","","","","","","","","","","","","","","","","","","","","tetraethyl 4-thioxo-4H-thieno[3,2-c]thiopyran-2,3,6,7-te...","","CCOC(=O)C1=C(SC2=C1C(=S)SC(=C2C(=O)OCC)C(=O)OCC)C(=O)OCC","PJZQFTAXLNFKSF-UHFFFAOYSA-N","16766547",NA,"PDBC54162","732992","Present"
-"Tetraethyl 5,5'-furan-2,5-diylbis(3-propyl-1H-pyrrole-2,4-dicarboxylate)","","","","","","","","","","","","","","","","","","","","Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]furan-2-yl]-3-propyl-1H-pyrrole-2,4-dicarboxylate","","CCCC1=C(NC(=C1C(=O)OCC)C2=CC=C(O2)C3=C(C(=C(N3)C(=O)OCC)CCC)C(=O)OCC)C(=O)OCC","DEHAKLQHVONSFP-UHFFFAOYSA-N","374808",NA,"PDBC54163","653145","Present"
-"Tetraethyleniminobenzo-quinone","","","","","","","","","","","","","","","","","","","","tetraethyleniminobenzoquinone","","C1CN1C2=C(C(=O)C(=C(C2=O)N3CC3)N4CC4)N5CC5","GNSPPAGSLFPHSZ-UHFFFAOYSA-N","95735",NA,"PDBC54164","31717","Present"
-"Tetrahydro-1-(2-chlorobenzyl)-2-thioxo-3-propyl-6-methylpyrimidin-4(3H)-one","","","","","","","","","","","","","","","","","","","","1-[(2-Chlorophenyl)methyl]-6-methyl-3-propyl-2-thioxo-hexahydropyrimidin-4-one","","CCCN1C(=O)CC(N(C1=S)CC2=CC=CC=C2Cl)C","FVKOJEWXYSVSIP-UHFFFAOYSA-N","397507",NA,"PDBC54165","705629","Present"
-"Tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,5-dione","","","","","","","","","","","","","","","","","","","","PFNRLXIIUAPJTP-UHFFFAOYSA-N","","C1CN2C(=O)CCN2C1=O","PFNRLXIIUAPJTP-UHFFFAOYSA-N","366018",NA,"PDBC54166","634193","Present"
-"Tetrahydro-2'-deoxyuridine","","","","","","","","","","","","","","","","","","","","Tetrahydro-2'-deoxyuridine","","C1CN(C(=O)NC1O)C2CC(C(O2)CO)O","RSRNLJYSWSSQMW-UHFFFAOYSA-N","356652",NA,"PDBC54167","613315","Present"
-"Tetrahydro-3-methyl-4-[(diethylthiocarbamoyl)thio]-2-[bis(2-chloroethyl)amino]-2H-1,3,2-oxazaphosphorine 2-oxide","","","","","","","","","","","","","","","","","","","","2-[Bis(2-chloroethyl)amino]-3-methyl-2-oxido-1,3,2-oxazaphosphinan-4-yl diethylcarbamodithioate","","CCN(CC)C(=S)SC1CCOP(=O)(N1C)N(CCCl)CCCl","NWUUTAVBTIUBPX-UHFFFAOYSA-N","368012",NA,"PDBC54168","638241","Present"
-"Tetrahydro-3a,3b-diaza-cyclopropadicyclopentene","","","","","","","","","","","","","","","","","","","","Tetrahydro-3a,3b-diaza-cyclopropadicyclopentene","","C1CC23CCCN2N3C1","SEKBAPQAQRVRTA-UHFFFAOYSA-N","370158",NA,"PDBC54169","642896","Present"
-"Tetrahydro-pyrrolo[1,2-c]thiazole-3-thione","","","","","","","","","","","","","","","","","","","","Tetrahydro-pyrrolo[1,2-c]thiazole-3-thione","","C1CC2CSC(=S)N2C1","WDPQMHSMDSUSGJ-UHFFFAOYSA-N","363821",NA,"PDBC54170","629036","Present"
-"Tetrahydroharmalol hydrochloride","","","","","","","","","","","","","","","","","","","","Tetrahydroharmol hydrochloride","","CC1C2=C(CCN1)C3=C(N2)C=C(C=C3)O.Cl","TYXYXJVYLIKWFG-UHFFFAOYSA-N","368981",NA,"PDBC54171","640462","Present"
-"Tetrahydropyran-4-yl 2-diazoacetate","","","","","","","","","","","","","","","","","","","","Tetrahydropyran-4-yl 2-diazoacetate","","C1COCCC1OC(=O)C=[N+]=[N-]","YDWUKWCUOJKCJG-UHFFFAOYSA-N","386734",NA,"PDBC54172","679279","Present"
-"Tetrahydrovermiculin","","","","","","","","","","","","","","","","","","","","Tetrahydrovermiculin","","CC(=O)CC1CCC(=O)CCC(=O)OC(CCC(=O)CCC(=O)O1)CC(=O)C","BANPLRUNKASJCB-UHFFFAOYSA-N","376408",NA,"PDBC54173","657322","Present"
-"Tetrahydroxyethylaminomethyl-Melamine","","","","","","","","","","","","","","","","","","","","Tetrahydroxyethylaminomethyl-Melamine","","C(CO)NCNC1=NC(=NC(=N1)N(CNCCO)CNCCO)NCNCCO","BOSXBNSTXUXXMM-UHFFFAOYSA-N","379773",NA,"PDBC54174","664852","Present"
-"Tetraisopentylgermane","","","","","","","","","","","","","","","","","","","","tetraisoamylgermane","","CC(C)CC[Ge](CCC(C)C)(CCC(C)C)CCC(C)C","KVLOTNWFWJRQCI-UHFFFAOYSA-N","354625",NA,"PDBC54175","606873","Present"
-"Tetrakis(1,3-dionato)-mu-bis (ethylen-1,2-diethyl-1,2-diphenolato-O1,O2)dititanium(IV)","","","","","","","","","","","","","","","","","","","","Tetrakis(1,3-diphenylpropane-1,3-dionato)-.mu.-bis (ethy...","","CCC(=C(CC)C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)[O-].CCC(=C(CC)C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4].[Ti+4]","JRDOBVULEJVBMG-YQPQJIHPSA-J","54600725",NA,"PDBC54176","639600","Present"
-"Tetrakis(1-amidosulfone-4-isocyanobenzole)rhodium- (I)ch...","","","","","","","","","","","","","","","","","","","","Tetrakis(1-amidosulfone-4-isocyanobenzole)rhodium- (I)ch...","","","","",NA,"PDBC54177","632593","Present"
-"Tetrakis(1-amino-4-isocyanobenzole)rhodium(I)- chloride","","","","","","","","","","","","","","","","","","","","Tetrakis(1-amino-4-isocyanobenzole)rhodium(I)- chloride","","","","",NA,"PDBC54178","632594","Present"
-"Tetrakis(1-bromo-4-isocyano-3,5-dimethylbenzole)- rhodiu...","","","","","","","","","","","","","","","","","","","","Tetrakis(1-bromo-4-isocyano-3,5-dimethylbenzole)- rhodiu...","","","","",NA,"PDBC54179","632595","Present"
-"Tetrakis(1-fluoro-4-isocyano)rhodium(I)- tetrafluoroborate","","","","","","","","","","","","","","","","","","","","Tetrakis(1-fluoro-4-isocyano)rhodium(I)- tetrafluoroborate","","","","",NA,"PDBC54180","632596","Present"
-"Tetrakis(1-phenylbutane-1,3-dionato)-di-.mu.-chloro-diti...","","","","","","","","","","","","","","","","","","","","Tetrakis(1-phenylbutane-1,3-dionato)-di-.mu.-chloro-diti...","","","","",NA,"PDBC54181","637206","Present"
-"Tetrakis(2,6,6-tetramethylpiperidine-4-olato) titanium(IV)-tetrahydrochloride","","","","","","","","","","","","","","","","","","","","Tetrakis(2,2,6,6-tetramethylpiperidine-4-olato) titanium...","","CC1(CC(CC(N1)(C)C)O)C.CC1(CC(CC(N1)(C)C)O)C.CC1(CC(CC(N1)(C)C)O)C.CC1(CC(CC(N1)(C)C)O)C.Cl.[Ti]","SETDMJZREMRIQS-UHFFFAOYSA-N","368296",NA,"PDBC54182","638841","Present"
-"Tetrakis(2-(1,3-dithian-5-yl)benzyl) 1,2,4,5-benzenetetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetrakis(2-(1,3-dithian-5-yl)benzyl) 1,2,4,5-benzenetetracarboxylate","","C1C(CSCS1)C2=CC=CC=C2COC(=O)C3=CC(=C(C=C3C(=O)OCC4=CC=CC=C4C5CSCSC5)C(=O)OCC6=CC=CC=C6C7CSCSC7)C(=O)OCC8=CC=CC=C8C9CSCSC9","BISMSHPAWYEYKC-UHFFFAOYSA-N","374815",NA,"PDBC54183","653152","Present"
-"Tetrakis(2-formylbenzyl) 1,2,4,5-benzenetetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetrakis(2-formylbenzyl) 1,2,4,5-benzenetetracarboxylate","","C1=CC=C(C(=C1)COC(=O)C2=CC(=C(C=C2C(=O)OCC3=CC=CC=C3C=O)C(=O)OCC4=CC=CC=C4C=O)C(=O)OCC5=CC=CC=C5C=O)C=O","NUCUQUGNRLHIEH-UHFFFAOYSA-N","374814",NA,"PDBC54184","653151","Present"
-"Tetrakis(3-dimethylaminophenolato)titanium(IV)","","","","","","","","","","","","","","","","","","","","Tetrakis(3-dimethylaminophenolato)titanium(IV)","","CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].[Ti+4]","VQPQZSYJOCTSPC-UHFFFAOYSA-J","368281",NA,"PDBC54185","638750","Present"
-"Tetrakis(4-N,N-dimethylamine-1-hydroxybenzolato-O-)silicon (IV)-tetrahydrochloride","","","","","","","","","","","","","","","","","","","","Tetrakis(4-N,N-dimethylamine-1-hydroxybenzolato-O-)silic...","","CN(C)C1=CC=C(C=C1)O[Si](OC2=CC=C(C=C2)N(C)C)(OC3=CC=C(C=C3)N(C)C)OC4=CC=C(C=C4)N(C)C.Cl","PUZAPLZTHRMBQS-UHFFFAOYSA-N","365308",NA,"PDBC54186","632864","Present"
-"Tetrakis(4-hydroxypyridinato)germanium(IV) tetrahydrochloride","","","","","","","","","","","","","","","","","","","","Tetrakis(4-hydroxypyridinato)germanium(IV) tetrahydrochl...","","C1=CC(=CN=C1)O[Ge](OC2=CN=CC=C2)(OC3=CN=CC=C3)OC4=CN=CC=C4.Cl","YOWYXGVIQSBTGU-UHFFFAOYSA-N","16683559",NA,"PDBC54187","632743","Present"
-"Tetrakis(4-hydroxypyridinato)silicon(IV)-tetrahydrochloride","","","","","","","","","","","","","","","","","","","","Tetrakis(4-hydroxypyridinato)silicon(IV)- tetrahydrochlo...","","C1=CC(=CN=C1)O[Si](OC2=CN=CC=C2)(OC3=CN=CC=C3)OC4=CN=CC=C4.Cl","AXKHEGRHLAJEKF-UHFFFAOYSA-N","365252",NA,"PDBC54188","632741","Present"
-"Tetrakis(4-methyltropolonato)thorium(IV)-hydrate","","","","","","","","","","","","","","","","","","","","Tetrakis(4-methyltropolonato)thorium(IV)-hydrate","","CC1=CC=CC(=O)C(=C1)[O-].CC1=CC=CC(=O)C(=C1)[O-].CC1=CC=CC(=O)C(=C1)[O-].CC1=CC=CC(=O)C(=C1)[O-].[Th+4]","BAXCUJQXPJZCMT-UHFFFAOYSA-J","438410",NA,"PDBC54189","635893","Present"
-"Tetrakis(8-chinolineolato)titanium(IV)-tetrahydrochloride","","","","","","","","","","","","","","","","","","","","Tetrakis(8-chinolineolato)titanium(IV)-tetrahydrochloride","","C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.Cl.[Ti+4]","WPJOFMXZHYSKBL-UHFFFAOYSA-J","368279",NA,"PDBC54190","638748","Present"
-"Tetrakis(N,N-diethyl-2-aminoethanolato)germanium(IV)- te...","","","","","","","","","","","","","","","","","","","","Tetrakis(N,N-diethyl-2-aminoethanolato)germanium(IV)- te...","","","","",NA,"PDBC54191","632813","Present"
-"Tetrakis(N,N-diethyl-2-aminoethanolato)silicon(IV)-tetrahydrochloride","","","","","","","","","","","","","","","","","","","","Tetrakis(N,N-diethyl-2-aminoethanolato)silicon(IV)- tetr...","","CCN(CC)CCO[Si](OCCN(CC)CC)(OCCN(CC)CC)OCCN(CC)CC.Cl","BMEQNAGPSDHMRS-UHFFFAOYSA-N","365254",NA,"PDBC54192","632742","Present"
-"Tetrakis(mu-3-phenylpropionato)dimolybdenum(II)","","","","","","","","","","","","","","","","","","","","Tetrakis(.mu.-3-phenylpropionato)dimolybdenum(II)","","C1=CC=C(C=C1)CCC(=O)[O-].C1=CC=C(C=C1)CCC(=O)[O-].C1=CC=C(C=C1)CCC(=O)[O-].C1=CC=C(C=C1)CCC(=O)[O-].[Mo+2].[Mo+2]","DLSNVUPHFSXVHI-UHFFFAOYSA-J","368534",NA,"PDBC54193","639609","Present"
-"Tetrakis(mu-tridecanato)dimolybdenum(II)","","","","","","","","","","","","","","","","","","","","Tetrakis(.mu.-tridecanato)dimolybdenum(II)","","CCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCC(=O)[O-].[Mo+2].[Mo+2]","KYUAIIXHQNZRFU-UHFFFAOYSA-J","368533",NA,"PDBC54194","639608","Present"
-"Tetrakis(pentane-2,4-dionato)zirconium(IV)","","","","","","","","","","","","","","","","","","","","Tetrakis(pentane-2,4-dionato)zirconium(IV)","","CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Zr+4]","JZKGDVHMAIKBGX-VGKOASNMSA-L","5388409",NA,"PDBC54195","635900","Present"
-"Tetrakis(phenylisonitrile)rhodium(I)chloride","","","","","","","","","","","","","","","","","","","","Tetrakis(phenylisonitrile)rhodium(I)chloride","","","","",NA,"PDBC54196","632597","Present"
-"Tetrakis-.mu.-acetatodiruthenium(II,III)chloride","","","","","","","","","","","","","","","","","","","","Tetrakis-.mu.-acetatodiruthenium(II,III)chloride","","","","",NA,"PDBC54197","632616","Present"
-"Tetrakis-2-ethylimidazolium-.mu.-oxobis- pentachlororuth...","","","","","","","","","","","","","","","","","","","","Tetrakis-2-ethylimidazolium-.mu.-oxobis- pentachlororuth...","","","","",NA,"PDBC54198","630117","Present"
-"Tetrakis[[3-[(1-adamantylazaniumyl)methyl]phenyl]methyl]azanium","","","","","","","","","","","","","","","","","","","","Tetrakis{3-[(tricyclo[3.3.1.13,7]decan-1-ammonio)methyl]...","","C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC(=CC=C4)C[N+](CC5=CC=CC(=C5)C[NH2+]C67CC8CC(C6)CC(C8)C7)(CC9=CC=CC(=C9)C[NH2+]C12CC3CC(C1)CC(C3)C2)CC1=CC=CC(=C1)C[NH2+]C12CC3CC(C1)CC(C3)C2","PVVXNXLGIJPNLQ-UHFFFAOYSA-R","155811978",NA,"PDBC54199","796018","Present"
-"Tetrakis[pyridine-2-ethanolato]germanium(IV)- tetrahydro...","","","","","","","","","","","","","","","","","","","","Tetrakis[pyridine-2-ethanolato]germanium(IV)- tetrahydro...","","","","",NA,"PDBC54200","634363","Present"
-"Tetrakisindazolium[.mu.-oxo-bis(pentachlororuthenate(III)]","","","","","","","","","","","","","","","","","","","","Tetrakisindazolium[.mu.-oxo-bis(pentachlororuthenate(III)]","","","","",NA,"PDBC54201","641071","Present"
-"Tetrakisoxinatogermanium(IV)-tetrahydrochloride","","","","","","","","","","","","","","","","","","","","Tetrakisoxinatogermanium(IV)-tetrahydrochloride","","","","",NA,"PDBC54202","632744","Present"
-"Tetrakisoxinatosilicon(IV)tetrahydrochloride","","","","","","","","","","","","","","","","","","","","Tetrakisoxinatosilicon(IV)tetrahydrochloride","","","","",NA,"PDBC54203","632862","Present"
-"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(2-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(2-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC1=CC=CC=C1C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC","KDICBRQFLONUFQ-CNEPXUPLSA-N","54685702",NA,"PDBC54204","705288","Present"
-"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(3-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(3-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC1=CC=CC(=C1)C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC","IHUSGBBAGWXRFV-HECJEKJZSA-N","54681581",NA,"PDBC54205","712409","Present"
-"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-hydroxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-hydroxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)O","IFOAPANXPSPOLP-MVHBULNSSA-N","54681579",NA,"PDBC54206","712407","Present"
-"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC1=CC=C(C=C1)C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC","DBEGLZYNHNSJLZ-HECJEKJZSA-N","54681580",NA,"PDBC54207","712408","Present"
-"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-nitrophenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-nitrophenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]","LVFHGFLZGINWEB-MVHBULNSSA-N","54685701",NA,"PDBC54208","705287","Present"
-"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-[4-(trifluoromethyl)phenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-[4-(trifluoromethyl)phenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)C(F)(F)F","ZBGIYMWAGFIGPK-MVHBULNSSA-N","54681576",NA,"PDBC54209","712404","Present"
-"Tetramethyl (1R,5R,6R,7R,9R)-7-(3,4-dimethoxyphenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6R,7R,9R)-7-(3,4-dimethoxyphenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC1=C(C=C(C=C1)C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC)OC","XCBZDQYTBGZIMS-PCXALJEHSA-N","54681582",NA,"PDBC54210","712410","Present"
-"Tetramethyl (1R,5R,6R,7R,9R)-7-(4-chlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6R,7R,9R)-7-(4-chlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)Cl","TUUHNOZMHVVDDA-MVHBULNSSA-N","54681574",NA,"PDBC54211","712402","Present"
-"Tetramethyl (1R,5R,6R,7R,9R)-7-(4-fluorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6R,7R,9R)-7-(4-fluorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)F","CJOIBKMLPOXBIQ-MVHBULNSSA-N","54681575",NA,"PDBC54212","712403","Present"
-"Tetramethyl (1R,5R,6S,7R,8R,9S)-3,5-dihydroxy-8-methyl-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,8R,9S)-3,5-dihydroxy-8-methyl-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1C(C(C2(C(C1C(=C(C2C(=O)OC)O)C(=O)OC)C(=O)OC)O)C(=O)OC)C3=CC=CC=C3","YNCCBLKIFLZZQY-RLMMETTGSA-N","54685700",NA,"PDBC54213","705286","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)C4=C(C=C(C=C4)Cl)Cl)C(=O)OC)O)C(=O)OC","QXHANBQFRJIDFZ-WQEMHUCGSA-N","5470175",NA,"PDBC54214","698265","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)OC)O)C(=O)OC","MKSAROVFICBUKJ-DYOLJDKESA-N","5470173",NA,"PDBC54215","698263","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)OC)O)C(=O)OC)C5=CC=CC=C5","FNJKZPRXBACYDJ-MPSIXJMJSA-N","5470807",NA,"PDBC54216","705292","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-diphenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-diphenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)O)C(=O)OC","MIRJVXJQLKULGY-MOMZVVPPSA-N","5470170",NA,"PDBC54217","698260","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(2,4-dichlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(2,4-dichlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl)C(=O)OC)O)C(=O)OC","BTDPTPOXOOUXIR-YNJVNDGNSA-N","5470174",NA,"PDBC54218","698264","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(4-chlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(4-chlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)OC)O)C(=O)OC","DHHHELOPOSYEOF-IQNIIWPSSA-N","5470172",NA,"PDBC54219","698262","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(2,6-difluorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(2,6-difluorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=C(C=CC=C3F)F)C4=CC=CC=C4)C(=O)OC)O)C(=O)OC","QZLTYRJCLFSBKK-PEPBNREGSA-N","5470805",NA,"PDBC54220","705290","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OC)O)C(=O)OC","VDPXKDZEFBPOEN-IQNIIWPSSA-N","5470171",NA,"PDBC54221","698261","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C=CC3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC","YDJUPAGULNDVMA-VNXAYRSNSA-N","5470804",NA,"PDBC54222","705289","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)OC(=O)C=CC3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4","RHNSIKHBGRFOHZ-OBQGSNGKSA-N","5470806",NA,"PDBC54223","705291","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C3=CC=CC=C3)C(=O)OC)O)C(=O)OC","JAIUXRGDJWIKDJ-FTAMHOEXSA-N","394666",NA,"PDBC54224","698268","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)OC(=O)C3=CC=CC=C3)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4","DVWAEBWELUSHIL-MXZFEKPTSA-N","400513",NA,"PDBC54225","712411","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-3-[(E)-2-(4-methoxyphenyl)-3-phenylprop-2-enoyl]oxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-3-[(E)-2-(4-methoxyphenyl)-3-phenylprop-2-enoyl]oxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C(=O)OC)O)C(=O)OC","JWRMORPBBCDVNQ-DEOFUFIFSA-N","5470177",NA,"PDBC54226","698267","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC)O)C(=O)OC","WPWUOUCLQAWSMJ-IQNIIWPSSA-N","5470176",NA,"PDBC54227","698266","Present"
-"Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C=CC3=CC=CC=C3)C(=O)OC)O)C(=O)OC","NVNCEMBSIAGOMR-IMJCIAPQSA-N","5470169",NA,"PDBC54228","698259","Present"
-"Tetramethyl (1R,5R,6S,9S)-3,5-dihydroxy-7-[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,9S)-3,5-dihydroxy-7-[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)C=CC4=CC=CC=C4","ICHORRBWBMIVNU-JUFLYIRRSA-N","54681586",NA,"PDBC54229","717065","Present"
-"Tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)C(=CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","MSBYKDZWICVAQC-YOONOSBESA-N","54681588",NA,"PDBC54230","717067","Present"
-"Tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-diphenylprop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-diphenylprop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)C(=CC4=CC=CC=C4)C5=CC=CC=C5","LQNQXFAWBLSLLP-VSXQVVOQSA-N","54681587",NA,"PDBC54231","717066","Present"
-"Tetramethyl (1R,5S,6R,7R,9R)-7-(2,4-dichlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5S,6R,7R,9R)-7-(2,4-dichlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=C(C=C(C=C3)Cl)Cl","LZVBNLCGQXZAMG-ZRHGNVNQSA-N","54681577",NA,"PDBC54232","712405","Present"
-"Tetramethyl (1R,5S,6R,7R,9R)-7-(2,6-dichlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl (1R,5S,6R,7R,9R)-7-(2,6-dichlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate","","COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=C(C=CC=C3Cl)Cl","ADEJSGRFPSWLJG-NFCHHBCHSA-N","54681578",NA,"PDBC54233","712406","Present"
-"Tetramethyl 12,14-dioxo-13-oxahexacyclo[8.5.2.12,5.02,9.06,9.011,15]octadeca-3,7,16-triene-3,4,7,8-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl 12,14-dioxo-13-oxahexacyclo[8.5.2.12,5.02,9.06,9.011,15]octadeca-3,7,16-triene-3,4,7,8-tetracarboxylate","","COC(=O)C1=C(C23CC1C4C2(C5C=CC3C6C5C(=O)OC6=O)C(=C4C(=O)OC)C(=O)OC)C(=O)OC","RFNIHWBEZABOKU-UHFFFAOYSA-N","367127",NA,"PDBC54234","636514","Present"
-"Tetramethyl 2,7-dioxotricyclo[6.2.0.0(3,6)]decane-4,5,9,10-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl 2,7-dioxotricyclo[6.2.0.03,6]decane-4,5,9,10-tetracarboxylate","","COC(=O)C1C2C(C1C(=O)OC)C(=O)C3C(C2=O)C(C3C(=O)OC)C(=O)OC","ABROGWXICUPYEM-UHFFFAOYSA-N","361825",NA,"PDBC54235","625143","Present"
-"Tetramethyl 2-((diisopropylamino)carbonyl)-1,3,5,7-cubanetetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl 2-((diisopropylamino)carbonyl)-1,3,5,7-cubanetetracarboxylate","","CC(C)N(C(C)C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC","GUEHEIILPKODKU-UHFFFAOYSA-N","386911",NA,"PDBC54236","679812","Present"
-"Tetramethyl 3'-(4-chlorophenyl)iminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl 3'-(4-chlorophenyl)iminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate","","COC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC)C(=O)OC)SSC2=NC4=CC=C(C=C4)Cl)C(=O)OC","VUEGQBFOBLBSQI-UHFFFAOYSA-N","402820",NA,"PDBC54237","717071","Present"
-"Tetramethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Spiro[1,3-dithiole-2,7'(3'H)-[1,2]dithiolo[4,3-b]- thiop...","","COC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC)C(=O)OC)SSC2=O)C(=O)OC","HAODYRSOCXZKBJ-UHFFFAOYSA-N","389753",NA,"PDBC54238","686349","Present"
-"Tetramethyl 3'-tert-butyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl 3'-tert-butyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate","","CC(C)(C)N=C1C2=C(C3(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S3)C(=O)OC)C(=O)OC)SS1","FRVVSSMVTVLIBH-UHFFFAOYSA-N","402822",NA,"PDBC54239","717073","Present"
-"Tetramethyl 4,8-dioxothiopyrano[3,2-b]thiopyran-2,3,6,7-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl 4,8-dioxothiopyrano[3,2-b]thiopyran-2,3,6,7-tetracarboxylate","","COC(=O)C1=C(SC2=C(C1=O)SC(=C(C2=O)C(=O)OC)C(=O)OC)C(=O)OC","AAPHSUKJUWKPJM-UHFFFAOYSA-N","391111",NA,"PDBC54240","689729","Present"
-"Tetramethyl 4-(dimethylamino)-4H-thiopyran-2,3,5,6-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl 4-(dimethylamino)-4H-thiopyran-2,3,5,6-tetracarboxylate","","CN(C)C1C(=C(SC(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC","YXSQHFGZMQCWJG-UHFFFAOYSA-N","395141",NA,"PDBC54241","699432","Present"
-"Tetramethyl 4-methoxy-3-[1,2,3-tris(methoxycarbonyl)cycloprop-2-en-1-yl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-1,2,5,6-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl 4-methoxy-5-[1,2,3-tris(methoxycarbonyl)cycloprop-2-en-1-yl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-1,2,3,6-tetracarboxylate","","COC(=O)C1=C(C1(C2=C(C3(C(=C(C2(O3)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC","WRQGNQGZJAHJOH-UHFFFAOYSA-N","361807",NA,"PDBC54242","625126","Present"
-"Tetramethyl 7-thioxo-7H-thieno[2,3,4,5-tetracarboxylate","","","","","","","","","","","","","","","","","","","","tetramethyl 7-thioxo-7H-thieno[2,3-c]thiopyran-2,3,4,5-t...","","COC(=O)C1=C(SC2=C1C(=C(SC2=S)C(=O)OC)C(=O)OC)C(=O)OC","YEEIIUHPHSXHJV-UHFFFAOYSA-N","24204804",NA,"PDBC54243","732989","Present"
-"Tetramethyl spiro[1,3-dithiole-2,4'-5,6,7,8-tetrahydrothiochromene]-2',3',4,5-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl spiro[1,3-dithiole-2,4'-5,6,7,8-tetrahydrothiochromene]-2',3',4,5-tetracarboxylate","","COC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC)C(=O)OC)CCCC2)C(=O)OC","DUNAMSUQFBASFQ-UHFFFAOYSA-N","400533",NA,"PDBC54244","712578","Present"
-"Tetramethyl spiro[1,3-dithiole-2,4'-6,7-dihydro-5H-cyclopenta[b]thiopyran]-2',3',4,5-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetramethyl spiro[1,3-dithiole-2,4'-6,7-dihydro-5H-cyclopenta[b]thiopyran]-2',3',4,5-tetracarboxylate","","COC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC)C(=O)OC)CCC2)C(=O)OC","YITDUKNVNYPKSU-UHFFFAOYSA-N","400532",NA,"PDBC54245","712577","Present"
-"Tetramethylammonium bis[decahydro-C- phenyldicarbaundeca...","","","","","","","","","","","","","","","","","","","","Tetramethylammonium bis[decahydro-C- phenyldicarbaundeca...","","","","",NA,"PDBC54246","99296","Present"
-"Tetramethylbiphosphine disulfide","","","","","","","","","","","","","","","","","","","","NSC666477","","CP(=S)(C)P(=S)(C)C","LGZQQMXQPAHRIH-UHFFFAOYSA-N","96660",NA,"PDBC54247","666477","Present"
-"Tetramethylphosphonium bromide","","","","","","","","","","","","","","","","","","","","(CH3)4PBr","","C[P+](C)(C)C.[Br-]","ZTXFOCMYRCGSMU-UHFFFAOYSA-M","357594",NA,"PDBC54248","617067","Present"
-"Tetramethylrhodamine ethyl ester(1+)","","","","","","","","","","","","","","","","","","","","TETRAMETHYLRHODAMINE ETHYL ESTER PERCHLORATE","","CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C","PQMJQYONVLIFOV-UHFFFAOYSA-N","2762683",NA,"PDBC54249","796216","Present"
-"Tetrangulol","","","","","","","","","","","","","","","","","","","","Tetrangulol","","CC1=CC2=C(C(=C1)O)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O","NFUYRESOTVGLRL-UHFFFAOYSA-N","99188",NA,"PDBC54250","194618","Present"
-"Tetranitrotetrazolium blue","","","","","","","","","","","","","","","","","","","","tnbt","","COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-].[Cl-]","VHGSPFITCDCEAV-UHFFFAOYSA-M","54598912",NA,"PDBC54251","121208","Present"
-"Tetraphenylboranuide;triphenyl-(4-phenyl-5-triphenylphosphaniumyl-4,5-dihydro-3H-diphosphol-3-yl)phosphanium","","","","","","","","","","","","","","","","","","","","Tetraphenylboranuide;triphenyl-(4-phenyl-5-triphenylphosphaniumyl-4,5-dihydro-3H-diphosphol-3-yl)phosphanium","","","","",NA,"PDBC54252","676863","Present"
-"Tetraphenylporphyrin","","","","","","","","","","","","","","","","","","","","NSC640184","","C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3","YNHJECZULSZAQK-UHFFFAOYSA-N","86280046",NA,"PDBC54253","640184","Present"
-"Tetrasodium meso-tetra(p-sulfonatophenyl)porphine","","","","","","","","","","","","","","","","","","","","tetrasodium meso-tetra(p-sulfonatophenyl)porphine","","C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=C(C=C9)S(=O)(=O)O)N3)S(=O)(=O)O.[Na+]","MANJPJFOBLAUCC-UHFFFAOYSA-N","135502243",NA,"PDBC54254","322091","Present"
-"Tetratert-butyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetratert-butyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate","","CC(C)(C)OC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)SSC2=O)C(=O)OC(C)(C)C","QIWDCEOPNQMMCM-UHFFFAOYSA-N","400531",NA,"PDBC54255","712576","Present"
-"Tetratert-butyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetratert-butyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate","","CC(C)(C)OC(=O)C1C(=C(C23C1(CCCC2)C(=C(C3C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O","RWWVYSLRPQCWNK-UHFFFAOYSA-N","54676237",NA,"PDBC54256","626177","Present"
-"Tetratert-butyl 8,11-dimethoxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate","","","","","","","","","","","","","","","","","","","","Tetratert-butyl 8,11-dimethoxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate","","CC(C)(C)OC(=O)C1C(=C(C23C1(CCCC2)C(=C(C3C(=O)OC(C)(C)C)OC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC","LRIANUOMFJTCSO-UHFFFAOYSA-N","362411",NA,"PDBC54257","626176","Present"
-"Tetraxetan","","","","","","","","","","","","","","","","","","","","Tetraxetan","","C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O","WDLRUFUQRNWCPK-UHFFFAOYSA-N","121841",NA,"PDBC54258","681107","Present"
-"Tetrazolium violet","","","","","","","","","","","","","","","","","","","","Tetrazolium violet","","C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]","RONADMZTCCPLEF-UHFFFAOYSA-M","74395",NA,"PDBC54259","89171","Present"
-"Tetrazolo[1, 5,6-dihydro-6-(2-deoxy-beta-D-erythrofuranosyl)-8-methyl-","","","","","","","","","","","","","","","","","","","","Tetrazolo[1,5-c]pyrimidin-5-one, 5,6-dihydro-6-(2-deoxy-...","","CC1=CN(C(=O)N2C1=NN=N2)C3CC(C(O3)CO)O","UWFUAEJIZCCNJO-UHFFFAOYSA-N","363533",NA,"PDBC54260","628496","Present"
-"Tetrocarcin A, sodium salt","","","","","","","","","","","","","","","","","","","","tetrocarcin a, sodium salt","","CC1CC(C(C2C1C3(C(C=C2)C(=CCC(C(=CC4C(C=C(CC45C(=O)C(=C3O)C(=O)O5)C=O)O)C)OC6CC(C(C(O6)C)NC(=O)OC)(C)[N+](=O)[O-])C)C)OC7CC(C(C(O7)C)OC(=O)C)OC8CCC(C(O8)C)OC9CC(C(C(O9)C)OC1CCC(C(O1)C)O)O)C","QOPRNPHPHOIJNY-NUIAMOMSSA-N","54724658",NA,"PDBC54261","333856","Present"
-"Tgg-II-23A","","","","","","","","","","","","","","","","","","","","Tgg-II-23A","","CC1=CC(=O)C(C2=CC=CC=C12)(C)C3=NC(CO3)(C)C","QRWXKCZIDVOJIQ-UHFFFAOYSA-N","370786",NA,"PDBC54262","644309","Present"
-"Thalicarpine","","","","","","","","","","","","","","","","","","","","thalicarpin","","CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC","ZCTJIMXXSXQXRI-KYJUHHDHSA-N","21470",NA,"PDBC54263","68075","Present"
-"Thalicarpine transformation product","","","","","","","","","","","","","","","","","","","","THALICARPINE TRANSFORMATION PRODUCT","","CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C6CC7C8=C(C6=C(C=C5)OC)C(=C(C=C8CCN7C)OC)OC)OC)OC.Cl","QFCWXUPULGTOPX-UHFFFAOYSA-N","5351290",NA,"PDBC54264","274893","Present"
-"Thalicberine, O-methyl","","","","","","","","","","","","","","","","","","","","THALICBERINE, O-METHYL","","CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC","UUURWWVPMHAACP-UHFFFAOYSA-N","320712",NA,"PDBC54265","269189","Present"
-"Thalictropine","","","","","","","","","","","","","","","","","","","","thalictropine","","CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)O)OC","DRACRVAKPKYPSB-UHFFFAOYSA-N","427204",NA,"PDBC54266","209759","Present"
-"Thalifaberidine","","","","","","","","","","","","","","","","","","","","Thalifaberidine","","CN1CCC2=C3C1CC4=C(C(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)O)OC","ASHXFBBPKYCWEY-VMPREFPWSA-N","157828",NA,"PDBC54267","676431","Present"
-"Thalistyline hydroxide","","","","","","","","","","","","","","","","","","","","thalistyline","","CN1CCC2=C(C3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C(=C7CC[N+]6(C)C)OC)OC)OC)OC)OCO3)OC.[OH-]","SYBJIKDHEBYMRE-UHFFFAOYSA-M","462160",NA,"PDBC54268","269186","Present"
-"Thalphenine chloride","","","","","","","","","","","","","","","","","","","","Thalphenine chloride","","C[N+]1(CCC2=CC(=C3C4=C2C1CC5=CC6=C(C(=C54)CO3)OCO6)OC)C.[Cl-]","YTXCQFDRRJSMRN-UHFFFAOYSA-M","24197663",NA,"PDBC54269","269191","Present"
-"Thapsia villosa compd","","","","","","","","","","","","","","","","","","","","THAPSIA VILLOSA COMPD","","CCCCC(=O)OC1CC(C2C(C(C(=C2C3C1(C(C(=O)O3)(C)O)O)C)OC(=O)C(=CC)C)OC(=O)CCCC)(C)OC(=O)C","DNLPJYRRMWBREC-GZTJUZNOSA-N","5477211",NA,"PDBC54270","299934","Present"
-"Thapsuine A","","","","","","","","","","","","","","","","","","","","Thapsuine A","","","","",NA,"PDBC54271","357826","Present"
-"Thaspine, acetate","","","","","","","","","","","","","","","","","","","","Thaspine, acetate","","CC(=O)O.CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC","HUNGYFRUEMVMMI-UHFFFAOYSA-N","253294",NA,"PDBC54272","76022","Present"
-"Theasapogenol A","","","","","","","","","","","","","","","","","","","","Theasapogenol A","","","","",NA,"PDBC54273","109440","Present"
-"Theophylline, 8,8'-tetramethylenebis(2-thio-","","","","","","","","","","","","","","","","","","","","8,8-Tetramethylenebis[2-thiotheophylline]","","CN1C2=C(C(=O)N(C1=S)C)NC(=N2)CCCCC3=NC4=C(N3)C(=O)N(C(=S)N4C)C","NSONFMCGPFMALE-UHFFFAOYSA-N","201649",NA,"PDBC54274","95926","Present"
-"Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-","","","","","","","","","","","","","","","","","","","","Theophylline, 8-[(2-pyrrolidinoethyl)thio]-6-thio-","","CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3CCCC3","KLAIFKHPSDRWRR-UHFFFAOYSA-N","3034554",NA,"PDBC54275","99657","Present"
-"Theophylline, 8-(3-pyridylmethyl)thio-6-thio-","","","","","","","","","","","","","","","","","","","","6-thio-8-[(3'-pyridylmethyl)thio]theophylline","","CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3=CN=CC=C3","QWBLDCDLJHPULD-UHFFFAOYSA-N","3034547",NA,"PDBC54276","97999","Present"
-"Theophylline, 8-(4-(2-benzimidazolyl)butyl)-","","","","","","","","","","","","","","","","","","","","8-[4-(2-benzimidazolyl)butyl]theophylline","","CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCC3=NC4=CC=CC=C4N3","VEFLECDGOCHYBW-UHFFFAOYSA-N","73250",NA,"PDBC54277","81509","Present"
-"Theprubicin-HCl","","","","","","","","","","","","","","","","","","","","Pirarubicin Hydrochloride","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC6CCCCO6","KMSKQZKKOZQFFG-MFVFBZRISA-N","6711233",NA,"PDBC54278","333054","Present"
-"Thevetiaflavone","","","","","","","","","","","","","","","","","","","","2-Genistein-5-methyl ether","","COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=C(C=C3)O)O","YQABHAHJGSNVQR-UHFFFAOYSA-N","5315202",NA,"PDBC54279","719158","Present"
-"Thevetin","","","","","","","","","","","","","","","","","","","","Thevetin","","","","",NA,"PDBC54280","123979","Present"
-"Thiactin","","","","","","","","","","","","","","","","","","","","thiactin","","CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)C(=CC)NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C","NSFFHOGKXHRQEW-BXVAPQLOSA-N","16220061",NA,"PDBC54281","170365","Present"
-"Thiaellipticine","","","","","","","","","","","","","","","","","","","","thiallipticine","","CC1=C2C=CN=CC2=C(C3=C1SC4=CC=CC=C43)C","YGFBWKZEDJNZDB-UHFFFAOYSA-N","273956",NA,"PDBC54282","119686","Present"
-"Thiamiprine","","","","","","","","","","","","","","","","","","","","guaneran","","CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]","YFTWHEBLORWGNI-UHFFFAOYSA-N","3379405",NA,"PDBC54283","38887","Present"
-"Thiasine","","","","","","","","","","","","","","","","","","","","thiasine","","C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)O","SSISHJJTAXXQAX-UHFFFAOYSA-O","3032312",NA,"PDBC54284","7175","Present"
-"Thiazolium-trans-[tetrachlorobisthiazoleruthenate(III)]","","","","","","","","","","","","","","","","","","","","Thiazolium-trans-[tetrachlorobisthiazoleruthenate(III)]","","","","",NA,"PDBC54285","630137","Present"
-"Thiazolo[2, 2,3-dihydro-2-[(2-methoxyphenyl)methylene]-5-(3-nitrophenyl)-3-oxo-, chloride","","","","","","","","","","","","","","","","","","","","Thiazolo[2,3-b]thiazolium, 2,3-dihydro- 2-[(2-methoxyphe...","","COC1=CC=CC=C1C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]","NCROJGCFUQYABM-HVHKRRFMSA-M","6517799",NA,"PDBC54286","657446","Present"
-"Thiazolo[2, 2-[(1,3-benzodioxol-5-yl)methylene]-2,3-dihydro-5-(3,4-dihydroxyphenyl)-3-oxo-, chloride","","","","","","","","","","","","","","","","","","","","Thiazolo[2,3-b]thiazolium, 2-[(1,3-benzodioxol-5-yl)meth...","","C1OC2=C(O1)C=C(C=C2)C=C3C(=O)[N+]4=C(S3)SC=C4C5=CC(=C(C=C5)O)O.[Cl-]","VYCDDKYBPMOXTL-MHUGMFFYSA-N","54612570",NA,"PDBC54287","657719","Present"
-"Thiazolo[2, 2-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-5-(3-nitrophenyl)-3-oxo-, chloride","","","","","","","","","","","","","","","","","","","","Thiazolo[2,3-b]thiazolium, 2-[(2,4-dichlorophenyl)methyl...","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)C(=CC4=C(C=C(C=C4)Cl)Cl)S3.[Cl-]","DCUPLJVRBSCPTQ-OYXUYBEVSA-M","54608200",NA,"PDBC54288","657445","Present"
-"Thiazolo[2, 2-[(2-chlorophenyl)methylene]-6-[(ethoxy)carbonyl]-2,3-dihydro-5-methyl-3-oxo-, chloride","","","","","","","","","","","","","","","","","","","","Thiazolo[2,3-b]thiazolium, 2-[(2-chlorophenyl)methylene]...","","CCOC(=O)C1=C([N+]2=C(S1)SC(=CC3=CC=CC=C3Cl)C2=O)C.[Cl-]","LOURJNGCVOIUMH-JCTPKUEWSA-M","20832489",NA,"PDBC54289","658291","Present"
-"Thiazolo[2, 2-[(4-chlorophenyl)methylene]-2,3-dihydro-5-(3-nitrophenyl)-3-oxo-, chloride","","","","","","","","","","","","","","","","","","","","Thiazolo[2,3-b]thiazolium, 2-[(4-chlorophenyl)methylene]...","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)C(=CC4=CC=C(C=C4)Cl)S3.[Cl-]","MNSCCYQVETZSSK-SQIOZQJDSA-M","5467668",NA,"PDBC54290","657720","Present"
-"Thiazolo[3, 2-methyl-perchlorate","","","","","","","","","","","","","","","","","","","","Thiazolo[3,2-f]phenanthridinium, 2-methyl- perchlorate","","CC1=C[N+]2=C(S1)C3=CC=CC=C3C4=CC=CC=C42.[O-]Cl(=O)(=O)=O","NFPBZGXLIAKHKP-UHFFFAOYSA-M","21144387",NA,"PDBC54291","98883","Present"
-"Thiazolo[3,2-f]phenanthridinium, 3-phenyl- perchlorate","","","","","","","","","","","","","","","","","","","","Thiazolo[3,2-f]phenanthridinium, 3-phenyl- perchlorate","","C1=CC=C(C=C1)C2=CSC3=[N+]2C4=CC=CC=C4C5=CC=CC=C53.[O-]Cl(=O)(=O)=O","JTLZGZZGOYPSLD-UHFFFAOYSA-M","5351215",NA,"PDBC54292","98904","Present"
-"Thiazolo[5,4-d]pyrimidin-7-amine, N-(4-methylphenyl)-2-[(phenylmethyl)thio]-","","","","","","","","","","","","","","","","","","","","Thiazolo[5,4-d]pyrimidin-7-amine, N-(4-methylphenyl)-2-[(phenylmethyl)thio]-","","CC1=CC=C(C=C1)NC2=C3C(=NC=N2)SC(=N3)SCC4=CC=CC=C4","TZAMHARWIDRMJE-UHFFFAOYSA-N","380057",NA,"PDBC54293","665355","Present"
-"Thiazolobenzimidazole","","","","","","","","","","","","","","","","","","","","THIAZOLOBENZIMIDAZOLE","","C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4F)F","AMLBAOPYPUXEQF-UHFFFAOYSA-N","122665",NA,"PDBC54294","625487","Present"
-"Thieno[2,10-dihydrophenanthrene","","","","","","","","","","","","","","","","","","","","Thieno[2,3-c]-2-acetyl-9,10-dihydrophenanthrene","","CC(=O)C1=C2C(=C3C(=C1)CCC4=CC=CC=C43)C=CS2","PJGSBKJPAKPKFW-UHFFFAOYSA-N","24205461",NA,"PDBC54295","735819","Present"
-"Thieno[2,10-dihydrophenanthrene-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Thieno[2,3-c]-9,10-dihydrophenanthrene-2-carboxylic acid","","C1CC2=CC(=C3C(=C2C4=CC=CC=C41)C=CS3)C(=O)O","KLWFMUMYQSQUBT-UHFFFAOYSA-N","24205462",NA,"PDBC54296","735820","Present"
-"Thieno[2,3-f][1,2,3,4,5]pentathiepine","","","","","","","","","","","","","","","","","","","","1,4,5,6,7,8-Hexathiaazulene","","C1=CSC2=C1SSSSS2","HRHNOZVOGOMOPP-UHFFFAOYSA-N","406616",NA,"PDBC54297","724856","Present"
-"Thieno[3'',2'':4',5'][1]benzothieno[3',2':4,5][1]benzothieno[3,2-f]quinolin-2-ylmethanol","","","","","","","","","","","","","","","","","","","","7,12,17-Trithia-22-azaheptacyclo[14.11.0.02,13.03,11.04,8.018,27.021,26]heptacosa-1(16),2(13),3(11),4(8),5,9,14,18(27),19,21(26),22,24-dodecaen-6-ylmethanol","","C1=CC2=C(C=CC3=C2C4=C(S3)C=CC5=C4C6=C(S5)C=CC7=C6C=C(S7)CO)N=C1","CDEAELMVURMHJA-UHFFFAOYSA-N","393577",NA,"PDBC54298","695647","Present"
-"Thieno[3,2-b]thiophene-2,5-dicarbaldehyde","","","","","","","","","","","","","","","","","","","","FCH848361","","C1=C(SC2=C1SC(=C2)C=O)C=O","UBKNFAFBINVTOP-UHFFFAOYSA-N","361865",NA,"PDBC54299","625186","Present"
-"Thieno[3,2-b]thiophene-2,5-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","Thieno[3,2-b]thiophene-2,5-dicarboxylic acid","","C1=C(SC2=C1SC(=C2)C(=O)O)C(=O)O","JMURVZFFOUWCNW-UHFFFAOYSA-N","361864",NA,"PDBC54300","625185","Present"
-"Thieno[3,2-d][1,2,3]thiadiazole","","","","","","","","","","","","","","","","","","","","Thieno[3,2-d][1,2,3]thiadiazole","","C1=CSC2=C1N=NS2","GAKOFAMADRYELG-UHFFFAOYSA-N","373755",NA,"PDBC54301","650709","Present"
-"Thieno[3,4-d][1,3]dithiole-2-thione","","","","","","","","","","","","","","","","","","","","Thieno[3,4-d][1,3]dithiole-2-thione","","C1=C2C(=CS1)SC(=S)S2","GJEBXSONPVIOSK-UHFFFAOYSA-N","371577",NA,"PDBC54302","645924","Present"
-"Thienopyrimid 3BzOMe Nucl","","","","","","","","","","","","","","","","","","","","Thienopyrimid 3BzOMe Nucl","","C1=CC=C(C=C1)COCN2C(=O)C3=C(C=CS3)NC2=O","UDLIXGWMJJUFQK-UHFFFAOYSA-N","385448",NA,"PDBC54303","676686","Present"
-"Thienopyrimid OHEtOMe Nucl","","","","","","","","","","","","","","","","","","","","Thienopyrimid OHEtOMe Nucl","","C1=CSC2=C1N(C(=O)NC2=O)COCCO","KQJFJTDJNGEQPT-UHFFFAOYSA-N","385447",NA,"PDBC54304","676685","Present"
-"Thiethylperazine dimaleate","","","","","","","","","","","","","","","","","","","","Thiethylperazine Maleate","","CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=CC(=O)O)C(=O)O","FBZFLZSBKWFFRD-BTJKTKAUSA-N","13234209",NA,"PDBC54305","130044","Present"
-"Thiochroman-4-ol","","","","","","","","","","","","","","","","","","","","Thiochroman-4-ol","","C1CSC2=CC=CC=C2C1O","FWVSZXYNCFXKRT-UHFFFAOYSA-N","375102",NA,"PDBC54306","654114","Present"
-"Thiochromeno[2,3,4-ij]-2,7-naphthyridine","","","","","","","","","","","","","","","","","","","","8-Thia-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene","","C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)S2","OLOXICWTKUHWIW-UHFFFAOYSA-N","391091",NA,"PDBC54307","689626","Present"
-"Thiochromeno[2,3,4-ij]-2,7-naphthyridine 7,7-dioxide","","","","","","","","","","","","","","","","","","","","Thiochromeno[2,3,4-ij]-2,7-naphthyridine 7,7-dioxide","","C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)S2(=O)=O","UJCKXVXWGBPLNL-UHFFFAOYSA-N","391092",NA,"PDBC54308","689627","Present"
-"Thiocolchicine","","","","","","","","","","","","","","","","","","","","NSC186301","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","CMEGANPVAXDBPL-INIZCTEOSA-N","17648",NA,"PDBC54309","186301","Present"
-"Thiocolchicine, 2,3-diacetyl-2,3-didemethyl-","","","","","","","","","","","","","","","","","","","","Acetamide, N-[2,3-bis(acetyloxy)-5,6,7,9-tetrahydro-1-me...","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC(=O)C)OC(=O)C","AXTUXMYJCHPLDP-UHFFFAOYSA-N","435732",NA,"PDBC54310","374980","Present"
-"Thioctic acid","","","","","","","","","","","","","","","","","","","","biletan","","C1CSSC1CCCCC(=O)O","AGBQKNBQESQNJD-UHFFFAOYSA-N","864",NA,"PDBC54311","90788","Present"
-"Thiocyanic acid, 1H-purin-6-yl ester","","","","","","","","","","","","","","","","","","","","Thiocyanic acid, 1H-purin-6-yl ester (9CI)","","C1=NC2=C(N1)C(=NC=N2)SC#N","GBTKKUANKIRQOM-UHFFFAOYSA-N","96185",NA,"PDBC54312","58385","Present"
-"Thiocyanic acid, 5-hydroxycarvacryl ester","","","","","","","","","","","","","","","","","","","","NSC4698","","CC1=CC(=C(C=C1SC#N)C(C)C)O","JCBPZRGUDJXNCD-UHFFFAOYSA-N","94837",NA,"PDBC54313","4698","Present"
-"Thiodiglycolic acid","","","","","","","","","","","","","","","","","","","","tdga","","C(C(=O)O)SCC(=O)O","UVZICZIVKIMRNE-UHFFFAOYSA-N","31277",NA,"PDBC54314","28743","Present"
-"Thiofentanyl","","","","","","","","","","","","","","","","","","","","Thiofentanyl","","CCC(=O)N(C1CCN(CC1)CCC2=CC=CS2)C3=CC=CC=C3","YMRFZDHYDKZXPA-UHFFFAOYSA-N","62380",NA,"PDBC54315","665714","Present"
-"Thioflavin T","","","","","","","","","","","","","","","","","","","","thioflavine","","CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[Cl-]","JADVWWSKYZXRGX-UHFFFAOYSA-M","16953",NA,"PDBC54316","11235","Present"
-"Thioflavine S","","","","","","","","","","","","","","","","","","","","Thioflavine S","","CC1=C(C2=C(C=C1)[N+](=C(S2)C3=CC4=C(C=C3)[N+](=C(S4)C5=CC=C(C=C5)N(C)C)C)C)S(=O)(=O)O.CC1=C(C2=C(C=C1)[N+](=C(S2)C3=CC4=C(C=C3)[N+](=C(S4)C5=CC6=C(C=C5)[N+](=C(S6)C7=CC=C(C=C7)N(C)C)C)C)C)S(=O)(=O)O","OGBHHNJDJPQBLS-UHFFFAOYSA-P","415676",NA,"PDBC54317","71948","Present"
-"Thioglycolic acid","","","","","","","","","","","","","","","","","","","","thiovanic acid","","C(C(=O)O)S","CWERGRDVMFNCDR-UHFFFAOYSA-N","1133",NA,"PDBC54318","1894","Present"
-"Thiolutin","","","","","","","","","","","","","","","","","","","","thiolutin","","CC(=O)NC1=C2C(=CSS2)N(C1=O)C","MHMRAFONCSQAIA-UHFFFAOYSA-N","6870",NA,"PDBC54319","3927","Present"
-"Thiomethylpromazine","","","","","","","","","","","","","","","","","","","","Thiomethylpromazine","","CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)SC","VAKQWULGGDTKGR-UHFFFAOYSA-N","70583",NA,"PDBC54320","186063","Present"
-"Thiomyristoyl","","","","","","","","","","","","","","","","","","","","NSC773409","","CCCCCCCCCCCCCC(=S)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","CJQGLLUJIVNREL-HKBQPEDESA-N","126843233",NA,"PDBC54321","773409","Present"
-"Thionaphthene, 2-[1-acetamino-1-cycloheptyl]-","","","","","","","","","","","","","","","","","","","","Thionaphthene, 2-[1-acetamino-1-cycloheptyl]-","","CC(=O)NC1(CCCCCC1)C2=CC3=CC=CC=C3S2","DXGUJRCGDBRHOQ-UHFFFAOYSA-N","398366",NA,"PDBC54322","708083","Present"
-"Thionine","","","","","","","","","","","","","","","","","","","","thionin","","C1=CC2=C(C=C1N)SC3=CC(=[NH2+])C=CC3=N2.[Cl-]","PVPBBTJXIKFICP-UHFFFAOYSA-N","65043",NA,"PDBC54323","9591","Present"
-"Thiophene, 2-[[5-(3-chlorophenyl)[2,2'-bithiophen]-4-yl]methyl]-","","","","","","","","","","","","","","","","","","","","2-(3-Chlorophenyl)-5-(2-thienyl)-3-(2-thienylmethyl)thiophene","","C1=CC(=CC(=C1)Cl)C2=C(C=C(S2)C3=CC=CS3)CC4=CC=CS4","AMZUIAKUGFDSLB-UHFFFAOYSA-N","377739",NA,"PDBC54324","659331","Present"
-"Thiophene, 2-phenyl-5-(1-propynyl)-","","","","","","","","","","","","","","","","","","","","Thiophenacetylene","","CC#CC1=CC=C(S1)C2=CC=CC=C2","IIXLKPCNWKUVMO-UHFFFAOYSA-N","164797",NA,"PDBC54325","607169","Present"
-"Thiophene, 3-([2,2':5',3''-terthiophen]-3'-ylmethyl)-","","","","","","","","","","","","","","","","","","","","2-(2-Thienyl)-5-(3-thienyl)-3-(3-thienylmethyl)thiophene","","C1=CSC(=C1)C2=C(C=C(S2)C3=CSC=C3)CC4=CSC=C4","XSPCNJAYSZCHRV-UHFFFAOYSA-N","378458",NA,"PDBC54326","661059","Present"
-"Thiophene, 3-[[5-(3-chlorophenyl)[2,3'-bithiophen]-4-yl]methyl]-","","","","","","","","","","","","","","","","","","","","2-(3-Chlorophenyl)-5-(3-thienyl)-3-(3-thienylmethyl)thiophene","","C1=CC(=CC(=C1)Cl)C2=C(C=C(S2)C3=CSC=C3)CC4=CSC=C4","VMQJSUSFENIZEP-UHFFFAOYSA-N","378460",NA,"PDBC54327","661061","Present"
-"Thiophene, 3-[[5-(4-fluorophenyl)[2,3'-bithiophen]-4-yl]methyl]-","","","","","","","","","","","","","","","","","","","","2-(4-Fluorophenyl)-5-(3-thienyl)-3-(3-thienylmethyl)thiophene","","C1=CC(=CC=C1C2=C(C=C(S2)C3=CSC=C3)CC4=CSC=C4)F","SSSJMUFVTMLUET-UHFFFAOYSA-N","378459",NA,"PDBC54328","661060","Present"
-"Thiopyrano(3,2-c)pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxide","","","","","","","","","","","","","","","","","","","","Thiopyrano[3,2-c]pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1...","","CC(=O)N1C2=C(C(=O)N1C3=CC=CC=C3)S(=O)CCC2","WYIJYQGXZWLTPH-UHFFFAOYSA-N","371127",NA,"PDBC54329","645087","Present"
-"Thiopyrimidine derivatives","","","","","","","","","","","","","","","","","","","","THIOPYRIMIDINE DERIVATIVES","","COC1=C(C=C(C=C1)C2C3=C(C4=C(C=CC(=C4)F)OC3)NC(=S)N2)OC","YAZXPEVCEUFAOE-UHFFFAOYSA-N","11710486",NA,"PDBC54330","731530","Present"
-"Thiopyrimidine-CH3","","","","","","","","","","","","","","","","","","","","thiopyrimidine-CH3","","CC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)NC(=S)N2","GSZFQZXSAOKCKF-UHFFFAOYSA-N","5473238",NA,"PDBC54331","724615","Present"
-"Thiopyrimidine-Cl","","","","","","","","","","","","","","","","","","","","Thiopyrimidine-Cl","","C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(NC(=S)N4)C5=CC=C(C=C5)Cl","KMBDYTZDSAVFMG-UHFFFAOYSA-N","5473173",NA,"PDBC54332","724333","Present"
-"Thiopyrimidine-F","","","","","","","","","","","","","","","","","","","","Thiopyrimidine-F","","C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(NC(=S)N4)C5=CC=C(C=C5)F","SKCXHVCDOIFYSQ-UHFFFAOYSA-N","5473171",NA,"PDBC54333","724331","Present"
-"Thiopyrimidine-OCH3","","","","","","","","","","","","","","","","","","","","Thiopyrimidine-OCH3","","COC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)NC(=S)N2","ORSDAEKWFCLRBK-UHFFFAOYSA-N","5473172",NA,"PDBC54334","724332","Present"
-"Thioridazine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC186060///NSC757349","","CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC.Cl","NZFNXWQNBYZDAQ-UHFFFAOYSA-N","66062",NA,"PDBC54335","186060///757349","Present"
-"Thiosangivamycin","","","","","","","","","","","","","","","","","","","","thiosangivamycin","","C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=S)N","XZOKDXWQSCIKCM-UHFFFAOYSA-N","3580213",NA,"PDBC54336","105827","Present"
-"Thiosemicarbazone H","","","","","","","","","","","","","","","","","","","","NSC318807","","CC(=NNC(=S)N1CCCCCC1)C2=CC=CC=N2","LYIUREYWAKPINL-FOWTUZBSSA-N","5494319",NA,"PDBC54337","318807","Present"
-"Thiotaurine S-(2-aminoethyl) ester, dihydrochloride","","","","","","","","","","","","","","","","","","","","NSC528168","","C(CSS(=O)(=O)CCN)N.Cl","UHSQGLSSKHZQSU-UHFFFAOYSA-N","3084052",NA,"PDBC54338","528168","Present"
-"Thiourea, [4-(2-furanylmethyl)-5-thioxo-1,2,4-dithiazolidin-3-ylidene]dimethyl-","","","","","","","","","","","","","","","","","","","","Thiourea, [4-(2-furanylmethyl)-5-thioxo-1,2,4-dithiazoli...","","CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC=CO2","FWHDXWLCPICIAQ-LUAWRHEFSA-N","5836849",NA,"PDBC54339","622691","Present"
-"Thiourea,4,5-trimethoxyphenyl)methyl]-5-thioxo-1,2,4-dithiazol-2-ylidene]-N',N'-dimethyl-","","","","","","","","","","","","","","","","","","","","Thiourea, N-[4-[(3,4,5-trimethoxyphenyl)methyl]-5-thioxo...","","CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC(=C(C(=C2)OC)OC)OC","MWJKBPKYUGROES-PEZBUJJGSA-N","5914108",NA,"PDBC54340","645621","Present"
-"Thiourea,N-dimethyl-N'-[4-[(2-thienyl)methyl]-3-thioxo-1,2,4-dithiazolidin-5-ylidene]-","","","","","","","","","","","","","","","","","","","","Thiourea, N,N-dimethyl-N'-[4-[(2-thienyl)methyl]- 3-thio...","","CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC=CS2","OPALQZRLQUAKIG-LUAWRHEFSA-N","5911714",NA,"PDBC54341","645618","Present"
-"Thioxanthen-9-one","","","","","","","","","","","","","","","","","","","","NSC658181","","C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2","YRHRIQCWCFGUEQ-UHFFFAOYSA-N","10295",NA,"PDBC54342","658181","Present"
-"Thioxanthen-9-one 10,10-dioxide","","","","","","","","","","","","","","","","","","","","NSC658182","","C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2(=O)=O","DRIRMYPZOAOUPR-UHFFFAOYSA-N","220255",NA,"PDBC54343","658182","Present"
-"Thioxanthen-9-one, 1-((2-(ethyl(2-hydroxyethyl)amino)ethyl)amino)-4-methyl-, hydrochloride","","","","","","","","","","","","","","","","","","","","Thioxanthen-9-one, 1-[[2-[ethyl(2-hydroxyethyl)amino]eth...","","CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CCO.Cl","VKQTYHPWQVLGSK-UHFFFAOYSA-N","3063063",NA,"PDBC54344","20534","Present"
-"Thioxanthen-9-one,3-dihydroxypropyl)amino]ethyl]amino]-4-methyl-,hydrochloride","","","","","","","","","","","","","","","","","","","","Thioxanthen-9-one, 1-[[2-[(2,3-dihydroxypropyl)amino]eth...","","CC1=C2C(=C(C=C1)NCCNCC(CO)O)C(=O)C3=CC=CC=C3S2.Cl","XKKCEESDXKXKKW-UHFFFAOYSA-N","54601814",NA,"PDBC54345","20530","Present"
-"Thioxanthene, 2-methoxy-9-(3-(dimethylamino)propylidene)-, hydrochloride, (E)-","","","","","","","","","","","","","","","","","","","","1-Propanamine, 3-(2-methoxy-9H-thioxanthen-9-ylidene)-N,...","","CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)OC.Cl","GCUAMEPHMLSQKS-TWNLEINFSA-N","6446686",NA,"PDBC54346","64085","Present"
-"Threomycin","","","","","","","","","","","","","","","","","","","","furanomycin","","CC1C=CC(O1)C(C(=O)O)N","PNOKUGWGMLEAPE-UHFFFAOYSA-N","272104",NA,"PDBC54347","116328","Present"
-"Threoninamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]phenylalanyl-S-(acetylmethylamino)cysteinylphenylalanyl-1-formyltryptophyl-N~6~-[(9H-fluoren-9-ylmethoxy)carbonyl]lysylthreonyl-S-(acetylmethylamino)cysteinyl-","","","","","","","","","","","","","","","","","","","","9H-Fluoren-9-ylmethyl N-[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[[1-[[1-[[1-[[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobut","","CC(C(C(=O)N)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(C(C)O)NC(=O)C(CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)C(CC4=CN(C5=CC=CC=C54)C=O)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC7=CC=CC=C7)NC(=O)OCC8C9=CC=CC=C9C1=CC=CC=C81)O","VGJPDYIHLLBOFP-UHFFFAOYSA-N","16129802",NA,"PDBC54348","672460","Present"
-"Thujaplicin mixture","","","","","","","","","","","","","","","","","","","","Thujaplicin mixture","","CC(C)C1=CC=C(C(=O)C=C1)O.CC(C)C1=CC(=O)C(=CC=C1)O.CC(C)C1=CC(=O)C(=C(C=C1)O)O.CC(C)C1=C(C(=O)C=CC=C1)O","SCKSOYQGQHMOHA-UHFFFAOYSA-N","252101",NA,"PDBC54349","73300","Present"
-"Thunberginol A","","","","","","","","","","","","","","","","","","","","3-(3,4-dihydroxyphenyl)-8-hydroxyisocoumarin (Thunbergin...","","C1=CC2=C(C(=C1)O)C(=O)OC(=C2)C3=CC(=C(C=C3)O)O","WHZXJVJVGGWZQI-UHFFFAOYSA-N","5321948",NA,"PDBC54350","724383","Present"
-"Thunberginol B","","","","","","","","","","","","","","","","","","","","3-(3,4-dihydroxyphenyl)-6,8-dihydroxyisocoumarin (Thunbe...","","C1=CC(=C(C=C1C2=CC3=CC(=CC(=C3C(=O)O2)O)O)O)O","NHFGEHLUROYMEB-UHFFFAOYSA-N","5473310",NA,"PDBC54351","725013","Present"
-"Thuriferic acid","","","","","","","","","","","","","","","","","","","","Thuriferic acid","","COC1=CC(=CC(=C1OC)OC)C2C(C(=C)C(=O)C3=CC4=C(C=C23)OCO4)C(=O)O","HLSXUNBUCPHTDA-MRTLOADZSA-N","362872",NA,"PDBC54352","627278","Present"
-"Thwaitesixanthone","","","","","","","","","","","","","","","","","","","","Thwaitesixanthone","","CC1(C=CC2=C(O1)C=CC3=C2C(=O)C4=C(C5=C(C=C4O3)OC(C=C5)(C)C)O)C","CGUOCNBOCVGVNB-UHFFFAOYSA-N","392169",NA,"PDBC54353","692216","Present"
-"Thymidine, 3'-azido-3'-deoxy-5'-oxo-","","","","","","","","","","","","","","","","","","","","thymidine, 3'-azido-3'-deoxy-5'-oxo-","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(=O)O)N=[N+]=[N-]","YPULTFJGCRVCPG-UHFFFAOYSA-N","377346",NA,"PDBC54354","658787","Present"
-"Thymidine, 5'-((bromoacetyl)amino)-5'-deoxy-","","","","","","","","","","","","","","","","","","","","Thymidine, 5'-[(bromoacetyl)amino]-5'-deoxy-","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CNC(=O)CBr)O","ADGOHIZJIRUSTK-UHFFFAOYSA-N","100092",NA,"PDBC54355","334043","Present"
-"Thymidine,3'-deoxy-3'-(methylamino)-(9CI)","","","","","","","","","","","","","","","","","","","","1-[5-(Hydroxymethyl)-4-(methylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)NC","LDZKBUFNIZADPS-UHFFFAOYSA-N","372767",NA,"PDBC54356","648387","Present"
-"Thymine, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-","","","","","","","","","","","","","","","","","","","","Thymine, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)NC1=O)C","RBIZUPIXEMIJIL-TWGQIWQCSA-N","6374527",NA,"PDBC54357","678991","Present"
-"Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-[3-[[4-(acetyloxy)butyl]-3H-1,2,3-triazol-4-yl]methyl]-, (E)-","","","","","","","","","","","","","","","","","","","","2-Butenedioic acid, (E)-, 2-[3-[[[4-(acetyloxy)butyl]- 3...","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C)C","SYYDYBJDOSRRFB-WOJGMQOQSA-N","5469903",NA,"PDBC54358","694002","Present"
-"Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-[[4-[(acetyloxy)butyl]-1H-1,2,3-triazol-4-yl]methyl]-, (E)-","","","","","","","","","","","","","","","","","","","","2-Butenedioic acid, (E)-, 2-[3-[[[4-(acetyloxy)butyl]- 1...","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C)C","HSFWRICAOGAAGF-WOJGMQOQSA-N","5469902",NA,"PDBC54359","694001","Present"
-"Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (E)-","","","","","","","","","","","","","","","","","","","","2-Butenedioic acid, (E)-, 2-(1,2,3,4-tetrahydro-5-methyl...","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)C","DFSVUYODOIWHBI-FMIVXFBMSA-N","5469887",NA,"PDBC54360","693986","Present"
-"Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (Z)-","","","","","","","","","","","","","","","","","","","","2-Butenedioic acid, (Z)-, 2-(1,2,3,4-tetrahydro-5-methyl...","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)C","DFSVUYODOIWHBI-XFXZXTDPSA-N","5469886",NA,"PDBC54361","693985","Present"
-"Thymine,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-","","","","","","","","","","","","","","","","","","","","Thymine, 1,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-","","CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)C(=CC(=O)OCC)C(=O)OCC)C","RZNBOHOZOJPOSW-YCRUPXPOSA-N","6382533",NA,"PDBC54362","679006","Present"
-"Thymolphthalein","","","","","","","","","","","","","","","","","","","","thymophthalein","","CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O","LDKDGDIWEUUXSH-UHFFFAOYSA-N","31316",NA,"PDBC54363","2186","Present"
-"TimTec1_000115","","","","","","","","","","","","","","","","","","","","TimTec1_000115","","C1=CC(=CC(=C1)Br)C2=NNC(=O)N2","MOWCNQAKRIHBCM-UHFFFAOYSA-N","135485485",NA,"PDBC54364","678393","Present"
-"TimTec1_000140","","","","","","","","","","","","","","","","","","","","TimTec1_000140","","CC1=C(C=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)NN","VAABODLCKXMSIG-UHFFFAOYSA-N","388588",NA,"PDBC54365","683598","Present"
-"TimTec1_000652","","","","","","","","","","","","","","","","","","","","TimTec1_000652","","CC(C)C(=O)OCC1CCCN2C1CCCC2","OKDZSBOUVNBQMR-UHFFFAOYSA-N","3695649",NA,"PDBC54366","685525","Present"
-"TimTec1_001050","","","","","","","","","","","","","","","","","","","","TimTec1_001050","","CN(C)C1=CC=C(C=C1)C=NCC2CCCN3C2CCCC3","ZUNFVGFZOHJFDE-UHFFFAOYSA-N","394202",NA,"PDBC54367","697484","Present"
-"TimTec1_001777","","","","","","","","","","","","","","","","","","","","TimTec1_001777","","COC1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C3=CC=CC=C3)C#N","AETDFPIPBBHCQI-UHFFFAOYSA-N","716393",NA,"PDBC54368","671804","Present"
-"TimTec1_002753","","","","","","","","","","","","","","","","","","","","TimTec1_002753","","CC1=CC=C(C=C1)C(=O)CC2=NC3=C(C=CC=N3)NC2=O","ZBRBYUQKORENAD-UHFFFAOYSA-N","404248",NA,"PDBC54369","720426","Present"
-"TimTec1_004922","","","","","","","","","","","","","","","","","","","","TimTec1_004922","","C1CN2CC3CN1CC(C2)(C3O)C4=CC=CC=C4","MNRUFFKCDYALGA-UHFFFAOYSA-N","386841",NA,"PDBC54370","679574","Present"
-"TimTec1_005369","","","","","","","","","","","","","","","","","","","","TimTec1_005369","","CC1=CC(=O)OC2=C1C=CC(=C2CNC(CC(C)C)C(=O)O)O","YPJLUCAXHFPZJD-UHFFFAOYSA-N","5466054",NA,"PDBC54371","673332","Present"
-"TimTec1_005439","","","","","","","","","","","","","","","","","","","","TimTec1_005439","","COC1=CC=C(C=C1)C2=CN3C4=C(C=C(C=C4)C(=O)OC)SC3=N2","XIMWCBONNCSEFD-UHFFFAOYSA-N","403000",NA,"PDBC54372","717473","Present"
-"TimTec1_005567","","","","","","","","","","","","","","","","","","","","TimTec1_005567","","C1=CC=C2C(=C1)C=CC=C2N3C(=C(C(=O)NC3=S)C=C4C=NC5=CC=CC=C54)O","OVKKVIKFSCADIV-NTCAYCPXSA-N","135426769",NA,"PDBC54373","717458","Present"
-"TimTec1_005575","","","","","","","","","","","","","","","","","","","","TimTec1_005575","","CC1=C(C2=CC=CC=C2N1)C=NC3=CC=C(C=C3)N=CC4=C(NC5=CC=CC=C54)C","NZPYYLPFEUETNP-UHFFFAOYSA-N","403052",NA,"PDBC54374","717524","Present"
-"TimTec1_008199","","","","","","","","","","","","","","","","","","","","TimTec1_008199","","CCOC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C","FPDRQKTUWRSVPL-UHFFFAOYSA-N","247322",NA,"PDBC54375","61738","Present"
-"Timosaponin A-III","","","","","","","","","","","","","","","","","","","","Timosaponin A-III","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)OC1","MMTWXUQMLQGAPC-ULBLIBDQSA-N","6712429",NA,"PDBC54376","684425","Present"
-"Tin (IV) Etiopurpurin dichloride","","","","","","","","","","","","","","","","","","","","Tin (IV) Etiopurpurin dichloride","","","","",NA,"PDBC54377","619679","Present"
-"Tin monocatecholate","","","","","","","","","","","","","","","","","","","","tin monocatecholate","","C1=CC=C2C(=C1)O[Sn]O2","RQDBBXNPOUXZQZ-UHFFFAOYSA-L","16685274",NA,"PDBC54378","634374","Present"
-"Tin, (2,2'-bipyridine-N,N')butyldichlorophenyl-","","","","","","","","","","","","","","","","","","","","Tin, (2,2'-bipyridine-N,N')butyldichlorophenyl-","","","","",NA,"PDBC54379","333598","Present"
-"Tin, (2,2'-bipyridine-N,N')dichlorodimethyl-","","","","","","","","","","","","","","","","","","","","Tin, (2,2'-bipyridine-N,N')dichlorodimethyl-","","","","",NA,"PDBC54380","258613","Present"
-"Tin, bis(triphenyl- ) ethylenebis(dithiocarbamate)","","","","","","","","","","","","","","","","","","","","Tin, bis(triphenyl- ) ethylenebis(dithiocarbamate)","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)SC(=S)NCCNC(=S)S[Sn](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","DOICFEXUJKISKP-UHFFFAOYSA-L","3000604",NA,"PDBC54381","76557","Present"
-"Tin, dibutyl[N-[(carboxy-kappaO)methyl]-N-[2-(hydroxy-kappaO)ethyl]glycinato(2-)-kappaN,kappaO]-","","","","","","","","","","","","","","","","","","","","Tin, dibutyl[N-[(carboxy-kappaO)methyl]-N-[2-(hydroxy-kappaO)ethyl]glycinato(2-)-kappaN,kappaO]-","","","","",NA,"PDBC54382","628566","Present"
-"Tin, dichloro[1,10-phenanthroline-N(1),N(10)] bis[4-(tri...","","","","","","","","","","","","","","","","","","","","Tin, dichloro[1,10-phenanthroline-N(1),N(10)] bis[4-(tri...","","","","",NA,"PDBC54383","608463","Present"
-"Tin, dichlorodiethyl(1,10-phenanthroline-N(1),N(10))-","","","","","","","","","","","","","","","","","","","","Tin, dichlorodiethyl(1,10-phenanthroline-N(1),N(10))-","","","","",NA,"PDBC54384","292408","Present"
-"Tin,4-butanediylbis[diphenylphosphine oxide]-O,O']dichlorodiphenyl-, (OC-6-13)-","","","","","","","","","","","","","","","","","","","","Tin, [1,4-butanediylbis[diphenylphosphine oxide]-O,O']di...","","C1=CC=C(C=C1)P(=O)(CCCCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl","GQAUJMZTFWEBSI-UHFFFAOYSA-L","434521",NA,"PDBC54385","351594","Present"
-"Tindal","","","","","","","","","","","","","","","","","","","","tindal","","CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO.C(=CC(=O)O)C(=O)O","JVMBOHDUHCHGOE-BTJKTKAUSA-N","49800051",NA,"PDBC54386","169180","Present"
-"Tioconazole","","","","","","","","","","","","","","","","","","","","tioconazole","","C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl","QXHHHPZILQDDPS-UHFFFAOYSA-N","5482",NA,"PDBC54387","759169","Present"
-"Tirabrutinib","","","","","","","","","","","","","","","","","","","","tirabrutinib","","CC#CC(=O)N1CCC(C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N","SEJLPXCPMNSRAM-GOSISDBHSA-N","54755438",NA,"PDBC54388","797933","Present"
-"Tirandamycin","","","","","","","","","","","","","","","","","","","","Tirandamycin","","CC1C2C(=O)C3C(O3)(C(O2)(OC1C(C)C=C(C)C=CC(=C4C(=O)CNC4=O)O)C)C","URGUBECARCAPRI-UYWODMNRSA-N","54717225",NA,"PDBC54389","107067","Present"
-"Tizoxanide","","","","","","","","","","","","","","","","","","","","Tizoxanide","","C1=CC=C(C(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-])O","FDTZUTSGGSRHQF-UHFFFAOYSA-N","394397",NA,"PDBC54390","697856","Present"
-"Tobagolide","","","","","","","","","","","","","","","","","","","","Tobagolide","","CC(=C)C1CC2=C(C=C(O2)C(C3C(C(=CC1O)C(=O)O3)N(C)C)C(=C)C)C(=O)OC","DOCIQYRCMKIGGP-NKMQAVSXSA-N","5470071",NA,"PDBC54391","697273","Present"
-"Tocosimplex","","","","","","","","","","","","","","","","","","","","NSC143087///NSC26253","","C1CCN2CC3CC(C2C1)CN4C3CCCC4.OS(=O)(=O)O","FCEHFCFHANDXMB-UHFFFAOYSA-N","230880",NA,"PDBC54392","143087///26253","Present"
-"Tofacitinib","","","","","","","","","","","","","","","","","Tofacitinib (CP-690550)","","","tofacitinib","","","","9926791",NA,"PDBC54393","782351","Present"
-"Tolonium chloride","","","","","","","","","","","","","","","","","","","","klot///Tolonium chloride///NSC760421","","CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2.[Cl-]","GEDVVYWLPUPJJZ-UHFFFAOYSA-N","7083",NA,"PDBC54394","11225///36758///760421","Present"
-"Toluacrone","","","","","","","","","","","","","","","","","","","","Toluacrone","","CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O","HJGAIMRDMOLJIF-UHFFFAOYSA-N","364451",NA,"PDBC54395","630712","Present"
-"Toluene sulfonyl ethylenediamino isosampangine","","","","","","","","","","","","","","","","","","","","4-Methyl-N-[2-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]benzenesulfonamide","","CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5","HBALHLONFUQOEK-UHFFFAOYSA-N","46854491",NA,"PDBC54396","723395","Present"
-"Tolypomycin Y","","","","","","","","","","","","","","","","","","","","Tolypomycin Y","","CC1C(C=COC2(C(=O)C3=C(O2)C(=C(C4=C3C(=NC5CCC(OC5C)O)C=C(C4=O)NC(=O)C(=CC(=O)C6CC6C(C(C(C(C1OC(=O)C)C)O)C)O)C)O)C)C)OC","RYCBEGMWBUYSAD-NLAQSMJJSA-N","135443592",NA,"PDBC54397","177383","Present"
-"Tomatonin","","","","","","","","","","","","","","","","","","","","Tomatonin","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)C)OC1","JNTJNUDLVQQYGM-NRZIZFFHSA-N","401297",NA,"PDBC54398","714603","Present"
-"Tomatosid B","","","","","","","","","","","","","","","","","","","","Tomatosid B","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1","GUSVHVVOABZHAH-VMQCZZOBSA-N","401301",NA,"PDBC54399","714607","Present"
-"Tomaymycin","","","","","","","","","","","","","","","","","","","","Tomaymycin","","CC=C1CC2C(NC3=CC(=C(C=C3C(=O)N2C1)OC)O)OC","UQVNRKBFAXNOGA-HRZZMDIGSA-N","5383620",NA,"PDBC54400","177499","Present"
-"Tomivosertib","","","","","","","","","","","","","","","","","","","","eFT-508","","CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC(=C4)N)CCCCC3","HKTBYUWLRDZAJK-UHFFFAOYSA-N","118598754",NA,"PDBC54401","791783","Present"
-"Toremifene citrate","","","","","","","","","","","","","","","","","","","","Toremifene///toremifene citrate (usan)","","CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","IWEQQRMGNVVKQW-OQKDUQJOSA-N","3005572",NA,"PDBC54402","613680///759190","Present"
-"Torisel","","","","","","","","","","","","","","","","","","","","Torisel","","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC","CBPNZQVSJQDFBE-JRDRZOFESA-N","155809408",NA,"PDBC54403","800954","Present"
-"Torquatone","","","","","","","","","","","","","","","","","","","","Torquatone","","CC1=C(C(=C(C(=C1OC)C(=O)CC(C)C)OC)C)OC","PYUCCSKQLHUKCA-UHFFFAOYSA-N","256516",NA,"PDBC54404","83432","Present"
-"Torularhodin","","","","","","","","","","","","","","","","","","","","Torularhodin","","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)C)C","NESPPCWGYRQEJQ-VATUXEBJSA-N","5281248",NA,"PDBC54405","635690","Present"
-"Tos-Lys-chloromethylketone HCl","","","","","","","","","","","","","","","","","","","","TLCK","","CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCN)C(=O)CCl.Cl","YFCUZWYIPBUQBD-UHFFFAOYSA-N","23335676",NA,"PDBC54406","727366","Present"
-"Tos-PEG6-Tos","","","","","","","","","","","","","","","","","","","","Tos-PEG6-Tos","","CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C","BUHGDYPBQWWWQS-UHFFFAOYSA-N","361968",NA,"PDBC54407","625453","Present"
-"Toxicarol","","","","","","","","","","","","","","","","","","","","Toxicarol","","CC1(C=CC2=C(O1)C=C(C3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)O)C","JLTNCZQNGBLBGO-UHFFFAOYSA-N","243723",NA,"PDBC54408","53864","Present"
-"Toyomycin","","","","","","","","","","","","","","","","","","","","Chromomycin A3","","CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C)(C)O)O","ZYVSOIYQKUDENJ-MNGCYDFMSA-N","5351560",NA,"PDBC54409","58514","Present"
-"Trabectedin","","","","","","","","","","","","","","","","","","","","NSC813783","","CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O","PKVRCIRHQMSYJX-AIFWHQITSA-N","108150",NA,"PDBC54410","813783","Present"
-"Tramazoline tosylate","","","","","","","","","","","","","","","","","","","","Tramazoline tosylate","","CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC2=C(C1)C=CC=C2NC3=NCCN3","QDRSWMWTRHEOCY-UHFFFAOYSA-N","298391",NA,"PDBC54411","170427","Present"
-"Trapoxin B","","","","","","","","","","","","","","","","","","","","Trapoxin B","","C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCCC(=O)C5CO5","LLOKIGWPNVSDGJ-AFBVCZJXSA-N","395803",NA,"PDBC54412","700657","Present"
-"Tremeton","","","","","","","","","","","","","","","","","","","","Tremeton","","CC(=C)C1CC2=C(O1)C=CC(=C2)C(=O)C","UVYUUQGGBNKRFU-UHFFFAOYSA-N","317196",NA,"PDBC54413","247531","Present"
-"Tretazicar","","","","","","","","","","","","","","","","","","","","cb 954","","C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]","WOCXQMCIOTUMJV-UHFFFAOYSA-N","89105",NA,"PDBC54414","115829","Present"
-"Tri(isobutenyl)-p-anisylantimony bromide","","","","","","","","","","","","","","","","","","","","Tri(isobutenyl)-p-anisylantimony bromide","","CC(=C[Sb](C=C(C)C)(C=C(C)C)(C1=CC=C(C=C1)OC)Br)C","XXKOPGIDTPVYTH-UHFFFAOYSA-M","374022",NA,"PDBC54415","651201","Present"
-"Tri(propan-2-yl)-[(5,13,13-trimethyl-10-propan-2-yl-12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-9-yl)oxy]silane","","","","","","","","","","","","","","","","","","","","Tri(propan-2-yl)-[(5,13,13-trimethyl-10-propan-2-yl-12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-9-yl)oxy]silane","","CC1CCC2=C(C(=C3C4=C(C=CC1=C24)C(O3)(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C","DGXLZGXIYPZGDM-UHFFFAOYSA-N","389886",NA,"PDBC54416","686515","Present"
-"Tri(tert-butyl) 7-cyano-2-((diisopropylamino)carbonyl)-1,3,5-cubanetricarboxylate","","","","","","","","","","","","","","","","","","","","Tri(tert-butyl) 7-cyano-2-((diisopropylamino)carbonyl)-1,3,5-cubanetricarboxylate","","CC(C)N(C(C)C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)OC(C)(C)C)C#N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C","KQHPGQOLALKUDE-UHFFFAOYSA-N","386912",NA,"PDBC54417","679813","Present"
-"Tri-p-tolylphosphine","","","","","","","","","","","","","","","","","","","","tri-p-tolylphosphine","","CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C","WXAZIUYTQHYBFW-UHFFFAOYSA-N","13956",NA,"PDBC54418","97371","Present"
-"Triacetyl 13,15-isocrambescidin 800 hydrochloride","","","","","","","","","","","","","","","","","","","","Triacetyl 13,14,15-isocrambescidin 800 hydrochloride","","CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)CC(CCNC(=O)C)OC(=O)C)CCCC(O5)C.[Cl-]","SGKDPKUVWZUIQR-MHOCCOFMSA-N","11970117",NA,"PDBC54419","713160","Present"
-"Triacetyl crambescidin 800 hydrochloride","","","","","","","","","","","","","","","","","","","","Triacetyl crambescidin 800 hydrochloride","","CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)CC(CCNC(=O)C)OC(=O)C)CCCC(O5)C.[Cl-]","SGKDPKUVWZUIQR-OPZNHUFPSA-N","400721",NA,"PDBC54420","713156","Present"
-"Triacetylandrographolide","","","","","","","","","","","","","","","","","","","","(1R,2R,4aS,5R,8aS)-5-((E)-2-((S)-4-acetoxy-2-oxodihydrof...","","CC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)C)C)CC=C3C(COC3=O)OC(=O)C)C","KJFJXGDQSMGFTO-GSGGYZLZSA-N","21679044",NA,"PDBC54421","780381","Present"
-"Triallyl isocyanurate","","","","","","","","","","","","","","","","","","","","triallyl isocyanurate","","C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C","KOMNUTZXSVSERR-UHFFFAOYSA-N","13931",NA,"PDBC54422","11692","Present"
-"Triazinate","","","","","","","","","","","","","","","","","","","","Soluble Baker's Antifol","","CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)N(C)C)Cl)N)N)C","HKPVIFTWECXNPY-UHFFFAOYSA-N","38777",NA,"PDBC54423","139105","Present"
-"Triazine, acyloxycarbamate analog 5E","","","","","","","","","","","","","","","","","","","","NOCAS_878047","","CCCC(=O)OCOC(=O)N(C)N=NC1=CC=C(C=C1)C(=O)OCC","QYMCCKOCTMXKQL-UHFFFAOYSA-N","396590",NA,"PDBC54424","703098","Present"
-"Triazolothiadaizoles","","","","","","","","","","","","","","","","","","","","TRIAZOLOTHIADAIZOLES","","COC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC(=C(C=C4Cl)Cl)F","RGRMDSUIDOUXCS-UHFFFAOYSA-N","24744454",NA,"PDBC54425","741321","Present"
-"Triazure","","","","","","","","","","","","","","","","","","","","Azaribine","","CC(=O)OCC1C(C(C(O1)N2C(=O)NC(=O)C=N2)OC(=O)C)OC(=O)C","QQOBRRFOVWGIMD-UHFFFAOYSA-N","249187",NA,"PDBC54426","67239","Present"
-"Tribenzyltin acetate","","","","","","","","","","","","","","","","","","","","Tribenzyltin acetate","","CC(=O)O[Sn](CC1=CC=CC=C1)(CC2=CC=CC=C2)CC3=CC=CC=C3","LNANSYMQXPWAEI-UHFFFAOYSA-M","16683337",NA,"PDBC54427","164909","Present"
-"Tribiphenyl-4-ylmethanol","","","","","","","","","","","","","","","","","","","","TRIS(4-BIPHENYLYL)METHANOL","","C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)O","FURWFDHTIUIMDC-UHFFFAOYSA-N","219999",NA,"PDBC54428","2053","Present"
-"Tribromsalan","","","","","","","","","","","","","","","","","","","","Tribromsalan","","C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)Br)Br)O)Br","KVSKGMLNBAPGKH-UHFFFAOYSA-N","14868",NA,"PDBC54429","20526","Present"
-"Tributyl((methoxy(phenyl)acetyl)oxy)germane","","","","","","","","","","","","","","","","","","","","Tributyl((methoxy(phenyl)acetyl)oxy)germane","","CCCC[Ge](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC","LNNLMZYFZFDDOI-UHFFFAOYSA-N","16683234",NA,"PDBC54430","645576","Present"
-"Tributyl((methoxy(phenyl)acetyl)oxy)stannane","","","","","","","","","","","","","","","","","","","","Tributyl((methoxy(phenyl)acetyl)oxy)stannane","","CCCC[Sn](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC","UJNPNWZXIJKMGJ-UHFFFAOYSA-M","16683236",NA,"PDBC54431","645578","Present"
-"Tributyl(stearoyloxy)stannane","","","","","","","","","","","","","","","","","","","","TRIBUTYLTIN STEARATE","","CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC","GQZXITZWLBSSOI-UHFFFAOYSA-M","16683280",NA,"PDBC54432","99182","Present"
-"Tributyl(undec-10-enoyloxy)stannane","","","","","","","","","","","","","","","","","","","","TRIBUTYLTIN UNDECYLENATE","","CCCC[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCC=C","XEMFLPGDKXELSO-UHFFFAOYSA-M","16683279",NA,"PDBC54433","99171","Present"
-"Tributylgermyl 2-acetoxy-2-phenyl-acetate","","","","","","","","","","","","","","","","","","","","Tributylgermyl 2-acetoxy-2-phenyl-acetate","","CCCC[Ge](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC(=O)C","MOSKYZDHZOETFH-UHFFFAOYSA-N","16683233",NA,"PDBC54434","645575","Present"
-"Tributylgermyl 2-chloroacetate","","","","","","","","","","","","","","","","","","","","Tributylgermyl 2-chloroacetate","","CCCC[Ge](CCCC)(CCCC)OC(=O)CCl","MPEJSOKWKQVFFM-UHFFFAOYSA-N","16683248",NA,"PDBC54435","653556","Present"
-"Tributylgermyl 2-hydroxy-2-phenyl-acetate","","","","","","","","","","","","","","","","","","","","Tributylgermyl 2-hydroxy-2-phenyl-acetate","","CCCC[Ge](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)O","IHDDJXDQIOXBRJ-UHFFFAOYSA-N","16683229",NA,"PDBC54436","645571","Present"
-"Tributylgermyl 3-oxo-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Tributylgermyl 3-oxo-3-phenyl-propanoate","","CCCC[Ge](CCCC)(CCCC)OC(=O)CC(=O)C1=CC=CC=C1","UHNITIHSSRWMJK-UHFFFAOYSA-N","16683249",NA,"PDBC54437","653557","Present"
-"Tributyllead chloride","","","","","","","","","","","","","","","","","","","","tributylchlorolead","","CCCC[Pb](CCCC)(CCCC)Cl","OCQHDJVUUKFOFH-UHFFFAOYSA-M","25842",NA,"PDBC54438","168597","Present"
-"Tributylstannyl 2-acetoxy-2-phenyl-acetate","","","","","","","","","","","","","","","","","","","","Tributylstannyl 2-acetoxy-2-phenyl-acetate","","CCCC[Sn](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC(=O)C","WJLNJZMTFIOXKN-UHFFFAOYSA-M","16683237",NA,"PDBC54439","645579","Present"
-"Tributyltin 2,4-dichlorobenzoate","","","","","","","","","","","","","","","","","","","","TRIBUTYLTIN 2,4-DICHLOROBENZOATE","","CCCC[Sn](CCCC)(CCCC)OC(=O)C1=C(C=C(C=C1)Cl)Cl","FECJFQGVPGQQCF-UHFFFAOYSA-M","16683297",NA,"PDBC54440","117175","Present"
-"Tributyltin chloride","","","","","","","","","","","","","","","","","","","","tributylchlorotin","","CCCC[Sn](CCCC)(CCCC)Cl","GCTFWCDSFPMHHS-UHFFFAOYSA-M","15096",NA,"PDBC54441","22323","Present"
-"Tributyltin laurate","","","","","","","","","","","","","","","","","","","","tributyltin laurate","","CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC","HFFZSMFXOBHQLV-UHFFFAOYSA-M","16683295",NA,"PDBC54442","113254","Present"
-"Tributyltin propionate","","","","","","","","","","","","","","","","","","","","TRIBUTYLTIN PROPIONATE","","CCCC[Sn](CCCC)(CCCC)OC(=O)CC","AHIXTTGLRFPWJF-UHFFFAOYSA-M","16683278",NA,"PDBC54443","99154","Present"
-"Tributyrin","","","","","","","","","","","","","","","","","","","","TRIBUTYRIN","","CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","UYXTWWCETRIEDR-UHFFFAOYSA-N","6050",NA,"PDBC54444","661583","Present"
-"Tricarballylic acid","","","","","","","","","","","","","","","","","","","","tricarballylate","","C(C(CC(=O)O)C(=O)O)C(=O)O","KQTIIICEAUMSDG-UHFFFAOYSA-N","14925",NA,"PDBC54445","2347","Present"
-"Trichilia dregeana (seeds-substance UN4)","","","","","","","","","","","","","","","","","","","","Rohituka 7","","CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2OC(=O)C)C3=COC=C3)C)O)C4(C=CC(=O)OC5(C4CC(=O)OC5)C)C)OC=O)O","ZZPUDABJUQWRTM-UHFFFAOYSA-N","433158",NA,"PDBC54446","324051","Present"
-"Trichloro(1-phenyl-2,3-butanedionato)molybdenum(IV)","","","","","","","","","","","","","","","","","","","","Trichloro(1-phenyl-2,3-butanedionato)molybdenum(IV)","","","","",NA,"PDBC54447","631887","Present"
-"Trichlorononavinylpyrrolidoneruthenium(III)-hemi- hydroc...","","","","","","","","","","","","","","","","","","","","Trichlorononavinylpyrrolidoneruthenium(III)-hemi- hydroc...","","","","",NA,"PDBC54448","639602","Present"
-"Trichlorooxobisoxinatomolybdenum(VI)","","","","","","","","","","","","","","","","","","","","Trichlorooxobisoxinatomolybdenum(VI)","","C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.O=[Mo].[Cl-].[Cl-].[Cl-]","HJXRHCUIURMYCZ-UHFFFAOYSA-I","365257",NA,"PDBC54449","632804","Present"
-"Trichlorotris(1,5-dimethyltetrazole)ruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris(1,5-dimethyltetrazole)ruthenium(III)","","","","",NA,"PDBC54450","631472","Present"
-"Trichlorotris(3-methylpyrazole)ruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris(3-methylpyrazole)ruthenium(III)","","","","",NA,"PDBC54451","630116","Present"
-"Trichlorotris(4-dimethylaminopyridine)ruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris(4-dimethylaminopyridine)ruthenium(III)","","","","",NA,"PDBC54452","631468","Present"
-"Trichlorotris(4-hydroxypyridine)ruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris(4-hydroxypyridine)ruthenium(III)","","","","",NA,"PDBC54453","631473","Present"
-"Trichlorotris(4-tert-butylpyridine)ruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris(4-tert-butylpyridine)ruthenium(III)","","","","",NA,"PDBC54454","631469","Present"
-"Trichlorotris(4-vinylpyridine)ruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris(4-vinylpyridine)ruthenium(III)","","","","",NA,"PDBC54455","631470","Present"
-"Trichlorotris(pyridine-4-aldehyde)ruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris(pyridine-4-aldehyde)ruthenium(III)","","","","",NA,"PDBC54456","631471","Present"
-"Trichlorotris-1-methylimidazoleruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris-1-methylimidazoleruthenium(III)","","","","",NA,"PDBC54457","631474","Present"
-"Trichlorotris-1-methyltriazoleruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris-1-methyltriazoleruthenium(III)","","","","",NA,"PDBC54458","630129","Present"
-"Trichlorotris-3-(t-butyl)pyrazoleruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris-3-(t-butyl)pyrazoleruthenium(III)","","","","",NA,"PDBC54459","630128","Present"
-"Trichlorotris-4-benzoylpyridineruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotris-4-benzoylpyridineruthenium(III)","","","","",NA,"PDBC54460","630136","Present"
-"Trichlorotrisimidazoleruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotrisimidazoleruthenium(III)","","","","",NA,"PDBC54461","630111","Present"
-"Trichlorotrispyrazoleruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotrispyrazoleruthenium(III)","","","","",NA,"PDBC54462","631476","Present"
-"Trichlorotrispyridazineruthenium(III)","","","","","","","","","","","","","","","","","","","","Trichlorotrispyridazineruthenium(III)","","","","",NA,"PDBC54463","631475","Present"
-"Trichocereine chloride","","","","","","","","","","","","","","","","","","","","Trichocereine chloride","","CN(C)CCC1=CC(=C(C(=C1)OC)OC)OC.Cl","SWODTFSJPQTUJN-UHFFFAOYSA-N","24191561",NA,"PDBC54464","123393","Present"
-"Trichodermin","","","","","","","","","","","","","","","","","","","","NSC267033///NSC73846","","CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)C)C)C","HNEGCRMUYSKRRR-OKZUVXGGSA-N","6711209",NA,"PDBC54465","267033///73846","Present"
-"Trichogin A IV","","","","","","","","","","","","","","","","","","","","Trichogin A IV","","CCCCCCCC(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C(C)CC)C(=O)NC(CC(C)C)CO","LZAAXJCEERCDPT-UHFFFAOYSA-N","197387",NA,"PDBC54466","717182","Present"
-"Trichonin","","","","","","","","","","","","","","","","","","","","Trichonin","","CC(C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C)C(CC(=O)C(C)(C)O)O","UTLMKDSLDXMRLW-CQPFYUCGSA-N","5458918",NA,"PDBC54467","381059","Present"
-"Trichopolyn","","","","","","","","","","","","","","","","","","","","Trichopolyn","","CCCCCCCCC(C)C(=O)N1CCCC1C(=O)N2C(CC(CC2C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)CN(C)CCO)C)CC(=O)CC","DAWXCYYFNBEVJN-UHFFFAOYSA-N","431962",NA,"PDBC54468","301460","Present"
-"Trichothec-9-ene-4, 12,13-epoxy-, cyclic ester","","","","","","","","","","","","","","","","","","","","Trichothec-9-ene-4,15-diol, 12,13-epoxy-, cyclic ester","","CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)C=CC=CC(C(C)O)OCCC5=CC(=O)OC5)C)CO","JGIYRVDWRBKREW-YDFGWWAZSA-N","5477574",NA,"PDBC54469","331120","Present"
-"Tricinolone acetophenonide","","","","","","","","","","","","","","","","","","","","tricinolone acetophenonide","","CC12CC(C3(C(C1CC4C2(OC(O4)(C)C5=CC=CC=C5)C(=O)CO)CCC6=CC(=O)C=CC63C)F)O","HCKFPALGXKOOBK-ZPHQKVKWSA-N","235856",NA,"PDBC54470","37641","Present"
-"Triclocarban","","","","","","","","","","","","","","","","","","","","cusiter","","C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl","ICUTUKXCWQYESQ-UHFFFAOYSA-N","7547",NA,"PDBC54471","72005","Present"
-"Triclosan","","","","","","","","","","","","","","","","","","","","triclosan (usan)","","C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl","XEFQLINVKFYRCS-UHFFFAOYSA-N","5564",NA,"PDBC54472","759151","Present"
-"Tricolorin A","","","","","","","","","","","","","","","","","","","","Tricolorin A","","CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC3C(C(C(C(O3)C)OC(=O)C(C)CC)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C(C)CC)OC5C(C(C(OC5O1)C)O)O)CO)O","DWBKNMQALHFQLC-FRANOHTFSA-N","6712334",NA,"PDBC54473","670190","Present"
-"Tricyanoethoxymethyl trimethylol melamine","","","","","","","","","","","","","","","","","","","","Tricyanoethoxymethyl trimethylol melamine","","C(COCN(CO)C1=NC(=NC(=N1)N(CO)COCCC#N)N(CO)COCCC#N)C#N","NPNNTIGEXAGSMY-UHFFFAOYSA-N","374757",NA,"PDBC54474","653001","Present"
-"Tricyclo[3.3.0.03,7]octane-2-carboxylic acid","","","","","","","","","","","","","","","","","","","","Tricyclo[3.3.0.03,7]octane-2-carboxylic acid","","C1C2CC3C1CC2C3C(=O)O","ZSYWUFVACVUMCK-UHFFFAOYSA-N","362196",NA,"PDBC54475","625794","Present"
-"Tricyclo[3.3.1.0(sup 2, 3-phosphono-","","","","","","","","","","","","","","","","","","","","Tricyclo[3.3.1.0(sup 2,7)]non-3-3n3-1-carboxylic acid, 3...","","C1C2CC3(C2C=C(C1C3)P(=O)(O)O)C(=O)O","SXBBKMOVSMMCCS-UHFFFAOYSA-N","374709",NA,"PDBC54476","652894","Present"
-"Tricyclo[3.3.1.1~3,7~]tetraarsoxane","","","","","","","","","","","","","","","","","","","","NSC759274","","O1[As]2O[As]3O[As]1O[As](O2)O3","KTTMEOWBIWLMSE-UHFFFAOYSA-N","518605",NA,"PDBC54477","759274","Present"
-"Tricyclodaucene & tricyclocarotene","","","","","","","","","","","","","","","","","","","","Tricyclodaucene & tricyclocarotene","","CC1=CCC2C3(CCC2(C1C3)C(C)C)C.CC(=C1C2CCC3(C1CC2(CC3)C)C)C","FSKHXDVHKBYFSX-UHFFFAOYSA-N","431033",NA,"PDBC54478","287971","Present"
-"Tricyclopinate","","","","","","","","","","","","","","","","","","","","Tricyclopinate","","CN1CCC(CC1)OC(=O)C2(C3=CC=CC=C3OC4=CC=CC=C42)O","XWNYLOBIJMEALR-UHFFFAOYSA-N","175909",NA,"PDBC54479","665884","Present"
-"Tridecylboronic acid","","","","","","","","","","","","","","","","","","","","Tridecylboronic acid","","B(CCCCCCCCCCCCC)(O)O","IBKXABQGVIIFFS-UHFFFAOYSA-N","368422",NA,"PDBC54480","639424","Present"
-"Tridecylphosphonic acid","","","","","","","","","","","","","","","","","","","","Tridecylphosphonic acid","","CCCCCCCCCCCCCP(=O)(O)O","KREGXBHGJXTOKZ-UHFFFAOYSA-N","368410",NA,"PDBC54481","639414","Present"
-"Tridentatol A","","","","","","","","","","","","","","","","","","","","Tridentatol A","","CSC(=NC=CC1=CC=CC=C1)SC","RGWVCLUQWAYHJB-CMDGGOBGSA-N","5470024",NA,"PDBC54482","696674","Present"
-"Trienine","","","","","","","","","","","","","","","","","","","","Trienine","","","","",NA,"PDBC54483","126730","Present"
-"Trientine HCl","","","","","","","","","","","","","","","","","","","","Triethylenetetramine tetrahydrochloride","","C(CNCCNCCN)N.Cl","XPVOJYDIBHYVFL-UHFFFAOYSA-N","5458180",NA,"PDBC54484","158271","Present"
-"Triethanolamine-germane","","","","","","","","","","","","","","","","","","","","Triethanolamine-germane","","","","",NA,"PDBC54485","638257","Present"
-"Triethyl 2-methyl-1-(4-methylphenyl)-5-oxobenzo[g]indole-3,4,4-tricarboxylate","","","","","","","","","","","","","","","","","","","","Triethyl 2-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4h-benzo[g]indole-3,4,4-tricarboxylate","","CCOC(=O)C1=C(N(C2=C1C(C(=O)C3=CC=CC=C32)(C(=O)OCC)C(=O)OCC)C4=CC=C(C=C4)C)C","UAPSRTCRCQEISM-UHFFFAOYSA-N","405619",NA,"PDBC54486","722989","Present"
-"Triethyl 2-phenyl-1,3,3-butanetricarboxylate","","","","","","","","","","","","","","","","","","","","Triethyl 2-phenyl-1,3,3-butanetricarboxylate","","CCOC(=O)CC(C1=CC=CC=C1)C(C)(C(=O)OCC)C(=O)OCC","MZHRBTMGSWUPTI-UHFFFAOYSA-N","380814",NA,"PDBC54487","666535","Present"
-"Triethyl 2-phosphono-3-(2-methyl-3-indole)acrylate","","","","","","","","","","","","","","","","","","","","Triethyl 2-phosphono-3-(2-methyl-3-indole)acrylate","","CCOC(=O)C(=CC1=C(NC2=CC=CC=C21)C)P(=O)(OCC)OCC","CNGWCJAGUQAUDZ-SFQUDFHCSA-N","5467933",NA,"PDBC54488","660155","Present"
-"Triethyl 2-phosphono-3-(3-indole)acrylate","","","","","","","","","","","","","","","","","","","","Triethyl 2-phosphono-3-(3-indole)acrylate","","CCOC(=O)C(=CC1=CNC2=CC=CC=C21)P(=O)(OCC)OCC","ZEAQNVIDMHFNIL-LFIBNONCSA-N","5467930",NA,"PDBC54489","660152","Present"
-"Triethyl 2-phosphono-3-(4-quinoline)acrylate","","","","","","","","","","","","","","","","","","","","Triethyl 2-phosphono-3-(4-quinoline)acrylate","","CCOC(=O)C(=CC1=CC=NC2=CC=CC=C12)P(=O)(OCC)OCC","PZABUELMIXZEIR-GHRIWEEISA-N","5467925",NA,"PDBC54490","660145","Present"
-"Triethyl 2-phosphono-3-(5-hydroxymethyl-2-furyl)acrylate","","","","","","","","","","","","","","","","","","","","Triethyl 2-phosphono-3-(5-hydroxymethyl-2-furyl)acrylate","","CCOC(=O)C(=CC1=CC=C(O1)CO)P(=O)(OCC)OCC","LWPOCTRSPMRIIZ-UKTHLTGXSA-N","5467924",NA,"PDBC54491","660144","Present"
-"Triethyl 3-methoxy-4-oxo-3H-pyridazino[3,4-b]indole-1,2,9-tricarboxylate","","","","","","","","","","","","","","","","","","","","Triethyl 3-methoxy-4-oxo-3H-pyridazino[3,4-b]indole-1,2,9-tricarboxylate","","CCOC(=O)N1C(C(=O)C2=C(N1C(=O)OCC)N(C3=CC=CC=C32)C(=O)OCC)OC","HQAKEXUTVHEVBV-UHFFFAOYSA-N","393591",NA,"PDBC54492","695662","Present"
-"Triethyl 4-(dimethylamino)phenylimidophosphate","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4-[(triethoxy-$l^{5}-phosphanylidene)amino]aniline","","CCOP(=NC1=CC=C(C=C1)N(C)C)(OCC)OCC","JEIKXXFUBQEYBO-UHFFFAOYSA-N","392806",NA,"PDBC54493","693725","Present"
-"Triethyl 4-(methylthio)-12bH-[1,4]thiazepino[5,4-a]isoquinoline-1,2,5-tricarboxylate","","","","","","","","","","","","","","","","","","","","Triethyl 4-(methylthio)-12bH-[1,4]thiazepino[5,4-a]isoquinoline-1,2,5-tricarboxylate","","CCOC(=O)C1=C(SC(=C(N2C1C3=CC=CC=C3C=C2)C(=O)OCC)SC)C(=O)OCC","KMJKZQNNWZIPJR-UHFFFAOYSA-N","375062",NA,"PDBC54494","653945","Present"
-"Triethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate","","","","","","","","","","","","","","","","","","","","Triethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate","","CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)NC3=CC=CC=C3)C)C(=O)OCC)C(=O)OCC)N)NC(=O)NC4=CC=CC=C4)C","VPXBDLLKSQEKCV-UHFFFAOYSA-N","364562",NA,"PDBC54495","630982","Present"
-"Triethyl 6a-amino-2,5-dimethyl-1,6-diureido-pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate","","","","","","","","","","","","","","","","","","","","Triethyl 6a-amino-2,5-dimethyl-1,6-diureido-pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate","","CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)N)C)C(=O)OCC)C(=O)OCC)N)NC(=O)N)C","SSLPCXAUHGVVIO-UHFFFAOYSA-N","367828",NA,"PDBC54496","637903","Present"
-"Triethyl Orthobutyrate","","","","","","","","","","","","","","","","","","","","triethoxybutane","","CCCC(OCC)(OCC)OCC","KOPMZTKUZCNGFY-UHFFFAOYSA-N","371779",NA,"PDBC54497","646223","Present"
-"Triethyl pyrrylidene phosphono acetate","","","","","","","","","","","","","","","","","","","","Triethyl pyrrylidene phosphono acetate","","CCOC(=O)C(=CC1=CC=CN1)P(=O)(OCC)OCC","LLQRYQKRAKLSDM-BENRWUELSA-N","50990828",NA,"PDBC54498","643138","Present"
-"Triethyl thenylidenephosphonoacetate","","","","","","","","","","","","","","","","","","","","Triethyl thenylidenephosphonoacetate","","CCOC(=O)C(=CC1=CC=CS1)P(=O)(OCC)OCC","JKDPVZOHGWWADR-ZRDIBKRKSA-N","5848275",NA,"PDBC54499","643149","Present"
-"Triethyl-[(1-methoxycarbonylindol-2-yl)methyl]azanium;bromide","","","","","","","","","","","","","","","","","","","","Triethyl-[(1-methoxycarbonylindol-2-yl)methyl]azanium;bromide","","CC[N+](CC)(CC)CC1=CC2=CC=CC=C2N1C(=O)OC.[Br-]","AZBGIZPBJVVSFE-UHFFFAOYSA-M","374852",NA,"PDBC54500","653277","Present"
-"Triethyl-o-bromo-alpha-phosphono-cinnamate","","","","","","","","","","","","","","","","","","","","Triethyl-o-bromo-.alpha.-phosphono-cinnamate","","CCOC(=O)C(=CC1=CC=CC=C1Br)P(=O)(OCC)OCC","PUTFGWYYLOSCIJ-KAMYIIQDSA-N","6477312",NA,"PDBC54501","643019","Present"
-"Triethylenetetramine","","","","","","","","","","","","","","","","","","","","teta","","C(CNCCNCCN)N","VILCJCGEZXAXTO-UHFFFAOYSA-N","5565",NA,"PDBC54502","443","Present"
-"Triethylfurfurylidene phosphono acetate","","","","","","","","","","","","","","","","","","","","Triethylfurfurylidene phosphono acetate","","CCOC(=O)C(=CC1=CC=CO1)P(=O)(OCC)OCC","PCFIESHBNVKORO-BENRWUELSA-N","50990832",NA,"PDBC54503","643035","Present"
-"Triethylgermyl 2-acetoxy-2-phenyl-acetate","","","","","","","","","","","","","","","","","","","","2-Oxo-1-phenyl-2-((triethylgermyl)oxy)ethyl acetate","","CC[Ge](CC)(CC)OC(=O)C(C1=CC=CC=C1)OC(=O)C","RWQNINVVWMSGSA-UHFFFAOYSA-N","16683232",NA,"PDBC54504","645574","Present"
-"Triethylgermyl 2-phenyl-2-triethylgermyloxy-acetate","","","","","","","","","","","","","","","","","","","","Triethylgermyl 2-phenyl-2-triethylgermyloxy-acetate","","CC[Ge](CC)(CC)OC(C1=CC=CC=C1)C(=O)O[Ge](CC)(CC)CC","BNCRCLGGJCZFIN-UHFFFAOYSA-N","16683228",NA,"PDBC54505","645570","Present"
-"Triethyltin chloride","","","","","","","","","","","","","","","","","","","","chlorotriethyltin","","CC[Sn](CC)(CC)Cl","PIMYDFDXAUVLON-UHFFFAOYSA-M","13820",NA,"PDBC54506","5283","Present"
-"Triferric doxorubicin","","","","","","","","","","","","","","","","","","","","Adriamycin-DNA hydrochloride","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O","AOJJSUZBOXZQNB-UHFFFAOYSA-N","1691",NA,"PDBC54507","169534","Present"
-"Trifluoro-(2-tetrahydrothiophen-1-ium-1-ylcyclododecoxy)boranuide","","","","","","","","","","","","","","","","","","","","Trifluoro-(2-tetrahydrothiophen-1-ium-1-ylcyclododecoxy)boranuide","","","","",NA,"PDBC54508","666405","Present"
-"Trifluoroethylhomocysteine","","","","","","","","","","","","","","","","","","","","Trifluoroethylhomocysteine","","C(CSCC(F)(F)F)C(C(=O)O)N","NETJODBABUASCL-UHFFFAOYSA-N","369964",NA,"PDBC54509","642476","Present"
-"Trifluoroethylthioadenosine","","","","","","","","","","","","","","","","","","","","Trifluoroethylthioadenosine","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCC(F)(F)F)O)O)N","OADDFVPHOXLNAW-UHFFFAOYSA-N","369963",NA,"PDBC54510","642475","Present"
-"Trifluoromethanesulfinic acid 3,7-dimethyl-6-octenyl ester","","","","","","","","","","","","","","","","","","","","3,7-Dimethyloct-6-en-1-yl trifluoromethanesulfinate","","CC(CCC=C(C)C)CCOS(=O)C(F)(F)F","VRIDPOADNMGKTP-UHFFFAOYSA-N","402494",NA,"PDBC54511","716520","Present"
-"Trifluoromethanesulfonate;triphenyl(prop-1-ynyl)phosphanium","","","","","","","","","","","","","","","","","","","","Trifluoromethanesulfonate;triphenyl(prop-1-ynyl)phosphanium","","CC#C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]","XDPIKSUDNQJSLB-UHFFFAOYSA-M","24202391",NA,"PDBC54512","646702","Present"
-"Triflupromazine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC14959///NSC17473///TRIFLUPROMAZINE HYDROCHLORIDE","","CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F.Cl","FTNWXGFYRHWUKG-UHFFFAOYSA-N","66069",NA,"PDBC54513","14959///17473///758387","Present"
-"Trigilletine","","","","","","","","","","","","","","","","","","","","Trigilletine","","CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7)O4)OC)OC","DJAWTLHBPPQMPV-UHFFFAOYSA-N","301935",NA,"PDBC54514","181486","Present"
-"Trigonoside II","","","","","","","","","","","","","","","","","","","","Trigonoside II","","CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(CO7)O)O)O)OC8C(C(C(CO8)O)O)OC9C(C(C(CO9)O)O)O)C","NAUZBQMEOYSERD-LIJSAVAVSA-N","390134",NA,"PDBC54515","687161","Present"
-"Trigonoside III","","","","","","","","","","","","","","","","","","","","Trigonoside III","","CC(=O)OC1C(COC(C1OC2C(C(C(CO2)O)O)O)OC3CCC45CC46CCC7(C(C(CC7(C6CC(C5C3(C)C)OC8C(C(C(CO8)O)O)O)C)O)C9(CCC(O9)C(C)(C)O)C)C)O","BTTRQTJYXLOSMR-ZRDBHGEMSA-N","390135",NA,"PDBC54516","687162","Present"
-"Trihexyl(tetradecyl)Phosphonium Hexafluorophosphate","","","","","","","","","","","","","","","","","","","","Trihexyl(tetradecyl)Phosphonium Hexafluorophosphate","","","","",NA,"PDBC54517","747252","Present"
-"Trihexyl(tetradecyl)phosphonium Tetrafluoroborate","","","","","","","","","","","","","","","","","","","","Trihexyl(tetradecyl)phosphonium Tetrafluoroborate","","","","",NA,"PDBC54518","747253","Present"
-"Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide","","","","","","","","","","","","","","","","","","","","Trihexyl(tetradecyl)Phosphonium Bis (Trifluoromethylsulf...","","CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F","HYNYWFRJHNNLJA-UHFFFAOYSA-N","11181836",NA,"PDBC54519","747251","Present"
-"Trihydroxy-azatoxin","","","","","","","","","","","","","","","","","","","","trihydroxy-azatoxin","","C1C2COC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC(=C(C(=C5)O)O)O","UOBZFFJDXWHWIK-DYZYQPBXSA-N","381591",NA,"PDBC54520","668382","Present"
-"Triiodobis(2,2'-bipyridine)molybdenum(III)","","","","","","","","","","","","","","","","","","","","Triiodobis(2,2'-bipyridine)molybdenum(III)","","","","",NA,"PDBC54521","632803","Present"
-"Trilaciclib","","","","","","","","","","","","","","","","","","","","Trilaciclib dihydrochloride","","CN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6","PDGKHKMBHVFCMG-UHFFFAOYSA-N","68029831",NA,"PDBC54522","816987","Present"
-"Trilobacinone","","","","","","","","","","","","","","","","","","","","Trilobacinone","","CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC3CC(C(=O)O3)CC(=O)C)O)O","KGGVWMAPBXIMEM-JZJUQUEYSA-N","393462",NA,"PDBC54523","695395","Present"
-"Trimelamol","","","","","","","","","","","","","","","","","","","","TRIMETHYL TMM","","CN(CO)C1=NC(=NC(=N1)N(C)CO)N(C)CO","MHVFYGIQJNFWGQ-UHFFFAOYSA-N","92368",NA,"PDBC54524","283162","Present"
-"Trimethyl 12cH-4,8,12-trioxadibenzo[cd,mn]pyrene-2,6,10-tricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-tricarboxylate","","COC(=O)C1=CC2=C3C4C5=C(C=C(C=C5OC3=C1)C(=O)OC)OC6=C4C(=CC(=C6)C(=O)OC)O2","LEVKJIAVSWAYIO-UHFFFAOYSA-N","393371",NA,"PDBC54525","695179","Present"
-"Trimethyl 2,5-dimethyl-1,3-oxazole-4,4,5(5H)-tricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 2,5-dimethyl-1,3-oxazole-4,4,5(5H)-tricarboxylate","","CC1=NC(C(O1)(C)C(=O)OC)(C(=O)OC)C(=O)OC","MMBALTKZDLDBRP-UHFFFAOYSA-N","395875",NA,"PDBC54526","700970","Present"
-"Trimethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)-1,1,3-propanetricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)-1,1,3-propanetricarboxylate","","COC(=O)CC(C(C(=O)OC)C(=O)OC)N1C(C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3","YUNYFHQSTFMBMO-UHFFFAOYSA-N","373026",NA,"PDBC54527","648854","Present"
-"Trimethyl 2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-1,1,3-propanetricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-1,1,3-propanetricarboxylate","","COC(=O)CC(C(C(=O)OC)C(=O)OC)N1C(COC1=O)C2=CC=CC=C2","UZTLVNQBUNGEEV-UHFFFAOYSA-N","373022",NA,"PDBC54528","648849","Present"
-"Trimethyl 2-[(E)-4-methoxy-4-oxobut-2-enoyl]-7-azabicyclo[2.2.1]heptane-1,3,4-tricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 3-(4-methoxy-4-oxo-2-butenoyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate","","COC(=O)C=CC(=O)C1C(C2(CCC1(N2)C(=O)OC)C(=O)OC)C(=O)OC","HGQDKBWAZANSIK-AATRIKPKSA-N","5777548",NA,"PDBC54529","625564","Present"
-"Trimethyl 2-phosphono-3-(2-furan)acrylate","","","","","","","","","","","","","","","","","","","","Trimethyl 2-phosphono-3-(2-furan)acrylate","","COC(=O)C(=CC1=CC=CO1)P(=O)(OC)OC","QAAQMJIHZOHTPF-VQHVLOKHSA-N","5467926",NA,"PDBC54530","660147","Present"
-"Trimethyl 2-phosphono-3-methyl-(2-furan)acrylate","","","","","","","","","","","","","","","","","","","","Trimethyl 2-phosphono-3-methyl-(2-furan)acrylate","","CC(=C(C(=O)OC)P(=O)(OC)OC)C1=CC=CO1","MTLZCUMITOMHMK-CSKARUKUSA-N","5467927",NA,"PDBC54531","660148","Present"
-"Trimethyl 3-(3-methoxy-3-oxo-1-propenyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 3-(3-methoxy-3-oxo-1-propenyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate","","COC(=O)C=CC1C(C2(CCC1(N2)C(=O)OC)C(=O)OC)C(=O)OC","JZWLDPATPYTKFV-AATRIKPKSA-N","5387653",NA,"PDBC54532","625562","Present"
-"Trimethyl 4-methoxy-5-(1,3,4-triphenyl-2H-1$l^{5}-phosphet-1-ylidene)cyclopenta-1,3-diene-1,2,3-tricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 4-methoxy-5-(1,3,4-triphenyl-2H-1lambda5-phosphet-1-ylidene)cyclopenta-1,3-diene-1,2,3-tricarboxylate","","COC1=C(C(=C(C1=P2(CC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)C(=O)OC)C(=O)OC","SZXBFKJYYYMBQY-UHFFFAOYSA-N","391572",NA,"PDBC54533","690983","Present"
-"Trimethyl 4-oxo-1,2,4-butanetricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 4-oxo-1,2,4-butanetricarboxylate","","COC(=O)CC(CC(=O)C(=O)OC)C(=O)OC","PRDNNRQMPWWYTB-UHFFFAOYSA-N","372208",NA,"PDBC54534","647159","Present"
-"Trimethyl 5-(2-allylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 5-(2-allylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate","","COC(=O)C1=C(C2(CC(C1O2)C3=CC=CC=C3CC=C)C(=O)OC)C(=O)OC","ZYTMKFVHWPBEFI-UHFFFAOYSA-N","379166",NA,"PDBC54535","663578","Present"
-"Trimethyl 5H-pyrido[4,3-b]indole-1,3,4-tricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 5H-pyrido[4,3-b]indole-1,3,4-tricarboxylate","","COC(=O)C1=C(N=C(C2=C1NC3=CC=CC=C32)C(=O)OC)C(=O)OC","CWXLQYICMQJSEO-UHFFFAOYSA-N","358640",NA,"PDBC54536","618651","Present"
-"Trimethyl 6-hydroxy-6-(2-methoxy-2-oxoethyl)-3-oxo-5-(2-phenylvinyl)-1,2,4-cyclohexanetricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 6-hydroxy-6-(2-methoxy-2-oxoethyl)-3-oxo-5-(2-phenylvinyl)-1,2,4-cyclohexanetricarboxylate","","COC(=O)CC1(C(C(C(=O)C(C1C(=O)OC)C(=O)OC)C(=O)OC)C=CC2=CC=CC=C2)O","CUDIUPXQNWSEJI-ZHACJKMWSA-N","5468587",NA,"PDBC54537","672129","Present"
-"Trimethyl 6-hydroxy-6-(2-methoxy-2-oxoethyl)-5-(2-methyl-1-propenyl)-3-oxo-1,2,4-cyclohexanetricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 6-hydroxy-6-(2-methoxy-2-oxoethyl)-5-(2-methylprop-1-enyl)-3-oxocyclohexane-1,2,4-tricarboxylate","","CC(=CC1C(C(=O)C(C(C1(CC(=O)OC)O)C(=O)OC)C(=O)OC)C(=O)OC)C","IWJCLYJPNHEVAA-UHFFFAOYSA-N","383707",NA,"PDBC54538","672128","Present"
-"Trimethyl 6a-amino-1,6-bis(carbamoylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate","","","","","","","","","","","","","","","","","","","","Trimethyl 6a-amino-1,6-bis(carbamoylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate","","CC1=C(C2(C(=C(N(C2(N1NC(=O)N)N)NC(=O)N)C)C(=O)OC)C(=O)OC)C(=O)OC","BAVFFNSQGULKJR-UHFFFAOYSA-N","364563",NA,"PDBC54539","630983","Present"
-"Trimethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate","","","","","","","","","","","","","","","","","","","","trimethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate","","CC1=C(C2(C(=C(N(C2(N1NC(=O)NC3=CC=CC=C3)N)NC(=O)NC4=CC=CC=C4)C)C(=O)OC)C(=O)OC)C(=O)OC","RWPFDGVANIZAFV-UHFFFAOYSA-N","367829",NA,"PDBC54540","637904","Present"
-"Trimethyl trimethylsilylimidophosphate","","","","","","","","","","","","","","","","","","","","Trimethyl trimethylsilylimidophosphate","","COP(=N[Si](C)(C)C)(OC)OC","IRIBUBGNSAFORU-UHFFFAOYSA-N","378143",NA,"PDBC54541","659945","Present"
-"Trimethyl((2,6,6-trimethyl-1-(trifluoromethyl)-2,4-cycloheptadien-1-yl)oxy)silane","","","","","","","","","","","","","","","","","","","","Trimethyl((2,6,6-trimethyl-1-(trifluoromethyl)-2,4-cycloheptadien-1-yl)oxy)silane","","CC1=CC=CC(CC1(C(F)(F)F)O[Si](C)(C)C)(C)C","ZRFIJUMVILZIJB-UHFFFAOYSA-N","388324",NA,"PDBC54542","683059","Present"
-"Trimethyl(1,1,5-tris(phenylthio)pentyl)silane","","","","","","","","","","","","","","","","","","","","Trimethyl(1,1,5-tris(phenylthio)pentyl)silane","","C[Si](C)(C)C(CCCCSC1=CC=CC=C1)(SC2=CC=CC=C2)SC3=CC=CC=C3","WDBHRWGFCMYBIP-UHFFFAOYSA-N","361781",NA,"PDBC54543","625048","Present"
-"Trimethyl(2-(phenylthio)-1,3-dithian-2-yl)silane","","","","","","","","","","","","","","","","","","","","Trimethyl(2-(phenylthio)-1,3-dithian-2-yl)silane","","C[Si](C)(C)C1(SCCCS1)SC2=CC=CC=C2","KVQXXJUSYCCTNM-UHFFFAOYSA-N","361793",NA,"PDBC54544","625065","Present"
-"Trimethyl(tris(phenylthio)methyl)silane","","","","","","","","","","","","","","","","","","","","Trimethyl(tris(phenylthio)methyl)silane","","C[Si](C)(C)C(SC1=CC=CC=C1)(SC2=CC=CC=C2)SC3=CC=CC=C3","VQHVLUMAABPAGI-UHFFFAOYSA-N","361782",NA,"PDBC54545","625049","Present"
-"Trimethyl-[(2-oxocyclododecyl)methyl]azanium;iodide","","","","","","","","","","","","","","","","","","","","Trimethyl-[(2-oxocyclododecyl)methyl]azanium;iodide","","C[N+](C)(C)CC1CCCCCCCCCCC1=O.[I-]","HJOZVQPHOVAJMR-UHFFFAOYSA-M","378067",NA,"PDBC54546","659758","Present"
-"Trimethyl-[(2S,7R)-5-(4-methylphenyl)sulfonyl-4-tetracyclo[6.2.2.13,6.02,7]trideca-4,9-dienyl]silane","","","","","","","","","","","","","","","","","","","","Trimethyl-[(2S,7R)-5-(4-methylphenyl)sulfonyl-4-tetracyclo[6.2.2.13,6.02,7]trideca-4,9-dienyl]silane","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3CC2C4C3C5CCC4C=C5)[Si](C)(C)C","IDAHXVZBZBBMOT-AKYPRQFMSA-N","400847",NA,"PDBC54547","713372","Present"
-"Trimethyl-[(3-oxo-1,2-dihydroinden-2-yl)methyl]azanium;iodide","","","","","","","","","","","","","","","","","","","","Trimethyl-[(3-oxo-1,2-dihydroinden-2-yl)methyl]azanium;iodide","","C[N+](C)(C)CC1CC2=CC=CC=C2C1=O.[I-]","RDFFKXIFPGTXCQ-UHFFFAOYSA-M","378645",NA,"PDBC54548","661442","Present"
-"Trimethyl-[(5-oxocyclopenten-1-yl)-phenylmethyl]azanium","","","","","","","","","","","","","","","","","","","","Trimethyl-[(5-oxocyclopenten-1-yl)-phenylmethyl]azanium","","C[N+](C)(C)C(C1=CCCC1=O)C2=CC=CC=C2","UNGBEOHVVJLIAD-UHFFFAOYSA-N","420292",NA,"PDBC54549","122592","Present"
-"Trimethyl-[(E)-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]silane","","","","","","","","","","","","","","","","","","","","NSC617623///1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro- 1-[3-(trimet...","","CC=C(CCC1C2=C(CCN1)C3=CC=CC=C3N2)[Si](C)(C)C","MWWNDHSQBOESHH-LHHJGKSTSA-N","5351349",NA,"PDBC54550","617623///619165","Present"
-"Trimethyl-[(E)-[1-phenyl-1-(1,2,3-triphenylcycloprop-2-en-1-yl)propan-2-ylidene]amino]azanium;iodide","","","","","","","","","","","","","","","","","","","","Trimethyl-[(E)-[1-phenyl-1-(1,2,3-triphenylcycloprop-2-en-1-yl)propan-2-ylidene]amino]azanium;iodide","","CC(=N[N+](C)(C)C)C(C1=CC=CC=C1)C2(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[I-]","STKRXTNAEXGMMC-HXAPHQIMSA-M","13244383",NA,"PDBC54551","620127","Present"
-"Trimethyl-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-2-en-2-yl]silane","","","","","","","","","","","","","","","","","","","","Trimethyl-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-2-en-2-yl]silane","","CC(=C(C)[Si](C)(C)C)CCOC1CCCCO1","SIOSZXOSJSIFQC-SEYXRHQNSA-N","5386732",NA,"PDBC54552","617374","Present"
-"Trimethyl-[1-(5-methyl-2-thienyl)triazol-4-yl]silane","","","","","","","","","","","","","","","","","","","","Trimethyl-[1-(5-methyl-2-thienyl)triazol-4-yl]silane","","CC1=CC=C(S1)N2C=C(N=N2)[Si](C)(C)C","RJNPFSLAGKGXCS-UHFFFAOYSA-N","389380",NA,"PDBC54553","685428","Present"
-"Trimethyl-[2-[(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)amino]ethyl]azanium;iodide","","","","","","","","","","","","","","","","","","","","Trimethyl-[2-[(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)amino]ethyl]azanium;iodide","","C[N+]1(CCCC2=CC=CC=C21)NCC[N+](C)(C)C.[I-]","QOECGMXPDUUXOR-UHFFFAOYSA-M","5351688",NA,"PDBC54554","18613","Present"
-"Trimethyl-[2-[(2E)-2-[1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]ethylidene]hydrazino]-2-oxo-ethyl]ammonium","","","","","","","","","","","","","","","","","","","","Trimethyl-[2-[(2E)-2-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydrazinyl]-2-oxoethyl]azanium;chloride","","CC1=C(SC(=N1)C2=CN=CC=C2)C(=NNC(=O)C[N+](C)(C)C)C.[Cl-]","ILHRRGFVFQFINT-NNTHFVATSA-N","9574384",NA,"PDBC54555","641855","Present"
-"Trimethyl-[2-[[2-(2-octadecoxyphenyl)acetyl]amino]ethyl]azanium","","","","","","","","","","","","","","","","","","","","N,N,N-trimethyl-2-(2-(2-(octadecyloxy)phenyl)acetamido)e...","","CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(=O)NCC[N+](C)(C)C","IHTGCFXTOFRSLW-UHFFFAOYSA-O","155815849",NA,"PDBC54556","798183","Present"
-"Trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium;iodide","","","","","","","","","","","","","","","","","","","","Trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium;iodide","","C[N+](C)(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.[I-]","UXIONEDRDIBJNE-UHFFFAOYSA-M","5351669",NA,"PDBC54557","16116","Present"
-"Trimethyl-[2-methyl-4-(trimethylazaniumyl)pentan-2-yl]azanium;iodide","","","","","","","","","","","","","","","","","","","","Trimethyl-[2-methyl-4-(trimethylazaniumyl)pentan-2-yl]azanium;iodide","","CC(CC(C)(C)[N+](C)(C)C)[N+](C)(C)C.[I-]","RYCOLUFDCGIKQM-UHFFFAOYSA-M","377587",NA,"PDBC54558","659155","Present"
-"Trimethyl-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]azanium;chloride","","","","","","","","","","","","","","","","","","","","Trimethyl-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]azanium;chloride","","C[N+](C)(C)CC(=O)NN=CC1=CC=NC=C1.[Cl-]","VRYSCCNPRKDFBN-UHFFFAOYSA-N","5351852",NA,"PDBC54559","64617","Present"
-"Trimethyl-[2-oxo-2-[2-[2,2,4,4-tetramethyl-3-[[2-(trimethylammonio)acetyl]hydrazono]cyclobutylidene]hydrazino]ethyl]ammonium","","","","","","","","","","","","","","","","","","","","Trimethyl-[2-oxo-2-[2-[2,2,4,4-tetramethyl-3-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]cyclobutylidene]hydrazinyl]ethyl]azanium;chloride","","CC1(C(=NNC(=O)C[N+](C)(C)C)C(C1=NNC(=O)C[N+](C)(C)C)(C)C)C.[Cl-]","LJQAWUFCHFKQTA-UHFFFAOYSA-O","369740",NA,"PDBC54560","641834","Present"
-"Trimethyl-[3-(5-methyl-2-thienyl)triazol-4-yl]silane","","","","","","","","","","","","","","","","","","","","Trimethyl-[3-(5-methyl-2-thienyl)triazol-4-yl]silane","","CC1=CC=C(S1)N2C(=CN=N2)[Si](C)(C)C","KKXODOBFEAPFFN-UHFFFAOYSA-N","389379",NA,"PDBC54561","685427","Present"
-"Trimethyl-[3-oxo-5-(trimethylazaniumyl)pentyl]azanium;iodide","","","","","","","","","","","","","","","","","","","","Trimethyl-[3-oxo-5-(trimethylazaniumyl)pentyl]azanium;iodide","","C[N+](C)(C)CCC(=O)CC[N+](C)(C)C.[I-]","FZNBNWMHAXYSDE-UHFFFAOYSA-M","365278",NA,"PDBC54562","632835","Present"
-"Trimethyl-[5-(trimethylazaniumyl)-3-tricyclo[5.4.0.02,6]undeca-1(11),7,9-trienyl]azanium;iodide","","","","","","","","","","","","","","","","","","","","Trimethyl-[5-(trimethylazaniumyl)-3-tricyclo[5.4.0.02,6]undeca-1(11),7,9-trienyl]azanium;iodide","","C[N+](C)(C)C1CC(C2C1C3=CC=CC=C23)[N+](C)(C)C.[I-]","HQBVBOUXZXPUMH-UHFFFAOYSA-M","363265",NA,"PDBC54563","628017","Present"
-"Trimethyl-[5-[1',3,3'-tris(5-trimethylsilylthiophen-2-yl)-5,5'-spirobi[4,6-dihydrosilolo[3,4-c]thiophene]-1-yl]thiophen-2-yl]silane","","","","","","","","","","","","","","","","","","","","Trimethyl-[5-[1',3,3'-tris(5-trimethylsilylthiophen-2-yl)-5,5'-spirobi[4,6-dihydrosilolo[3,4-c]thiophene]-1-yl]thiophen-2-yl]silane","","C[Si](C)(C)C1=CC=C(S1)C2=C3C[Si]4(CC3=C(S2)C5=CC=C(S5)[Si](C)(C)C)CC6=C(SC(=C6C4)C7=CC=C(S7)[Si](C)(C)C)C8=CC=C(S8)[Si](C)(C)C","AAAUEZCHNAHQQV-UHFFFAOYSA-N","371881",NA,"PDBC54564","646447","Present"
-"Trimethyl-[9-(oxan-2-yl)purin-6-yl]azanium;chloride","","","","","","","","","","","","","","","","","","","","Trimethyl-[9-(oxan-2-yl)purin-6-yl]azanium;chloride","","C[N+](C)(C)C1=NC=NC2=C1N=CN2C3CCCCO3.[Cl-]","SENBGVDWOFLXLM-UHFFFAOYSA-M","5351827",NA,"PDBC54565","53346","Present"
-"Trimethylamine-bromocarboxyborane","","","","","","","","","","","","","","","","","","","","Trimethylamine-bromocarboxyborane","","","","",NA,"PDBC54566","680211","Present"
-"Trimethylgermyl 2-acetoxy-2-phenyl-acetate","","","","","","","","","","","","","","","","","","","","Trimethylgermyl 2-acetoxy-2-phenyl-acetate","","CC(=O)OC(C1=CC=CC=C1)C(=O)O[Ge](C)(C)C","XGVJPIKLCWNRLA-UHFFFAOYSA-N","16683231",NA,"PDBC54567","645573","Present"
-"Trimethylphenylphosphonium iodide","","","","","","","","","","","","","","","","","","","","ZX-AT024258","","C[P+](C)(C)C1=CC=CC=C1.[I-]","XQLLUORERPKHEM-UHFFFAOYSA-M","357585",NA,"PDBC54568","617062","Present"
-"Trimethylstannyl 2-acetoxy-2-phenyl-acetate","","","","","","","","","","","","","","","","","","","","Trimethylstannyl 2-acetoxy-2-phenyl-acetate","","CC(=O)OC(C1=CC=CC=C1)C(=O)O[Sn](C)(C)C","ICDJRTYROVFNKZ-UHFFFAOYSA-M","16683227",NA,"PDBC54569","645569","Present"
-"Trimetrexate glucuronic acid salt","","","","","","","","","","","","","","","","","","","","TRIMETREXATE GLUCURONATE","","CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)C(C(C(C(C(=O)O)O)O)O)O","ZCJXQWYMBJYJNB-UHFFFAOYSA-N","336805",NA,"PDBC54570","352122","Present"
-"Trioxidanium;benzene;ruthenium(2+);sulfate","","","","","","","","","","","","","","","","","","","","Trioxidanium;benzene;ruthenium(2+);sulfate","","C1=CC=CC=C1.[OH3+].[OH3+].[OH3+].[O-]S(=O)(=O)[O-].[Ru+2]","QYNNJDNUKMUILL-UHFFFAOYSA-O","54608743",NA,"PDBC54571","655908","Present"
-"Trioxidanium;nickel(3+);2-(2-oxidoanilino)benzoate","","","","","","","","","","","","","","","","","","","","Trioxidanium;nickel(3+);2-(2-oxidoanilino)benzoate","","C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2[O-].[OH3+].[OH3+].[OH3+].[Ni+3]","AJIBXJLCHMPMHP-UHFFFAOYSA-O","24202389",NA,"PDBC54572","646294","Present"
-"Triphenyl((2-((triphenylphosphoranylidene)amino)phenyl)imino)phosphorane","","","","","","","","","","","","","","","","","","","","N,N'-(1,2-Phenylene)bis(triphenylphosphine imide)","","C1=CC=C(C=C1)P(=NC2=CC=CC=C2N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","LPPJVOFEDUXLAC-UHFFFAOYSA-N","361870",NA,"PDBC54573","625192","Present"
-"Triphenyl(3,4,5-trimethoxybenzyl)phosphonium bromide","","","","","","","","","","","","","","","","","","","","3,4,5-Trimethoxybenzyltriphenylphosphonium bromide, comp...","","COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","DFQCYFWOOKHMQB-UHFFFAOYSA-M","370917",NA,"PDBC54574","644719","Present"
-"Triphenyl(6-triphenylphosphaniumylhexyl)phosphanium;bromide","","","","","","","","","","","","","","","","","","","","NSC670163","","C1=CC=C(C=C1)[P+](CCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","IBFQSXWPFNRAEW-UHFFFAOYSA-M","382554",NA,"PDBC54575","670163","Present"
-"Triphenyl(8-quinolylsulfanyl)stannane","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-628586","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)SC4=CC=CC5=C4N=CC=C5","QBPAGYNLQBGOOV-UHFFFAOYSA-M","363590",NA,"PDBC54576","628586","Present"
-"Triphenyl(propa-1,2-dienyl)stannane","","","","","","","","","","","","","","","","","","","","Triphenyl(propa-1,2-dienyl)stannane","","C=C=C[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","AFCVDCUIAHTKBW-UHFFFAOYSA-N","289815",NA,"PDBC54577","152093","Present"
-"Triphenyl(thiadiazol-4-ylmethyl)phosphanium;chloride","","","","","","","","","","","","","","","","","","","","NSC635568","","C1=CC=C(C=C1)[P+](CC2=CSN=N2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","HLJCGDFZHKLDJV-UHFFFAOYSA-M","366795",NA,"PDBC54578","635568","Present"
-"Triphenyl-(4-triphenylphosphaniumylnaphthalen-1-yl)phosphanium;bromide","","","","","","","","","","","","","","","","","","","","NSC665685","","C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C5=CC=CC=C54)[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-]","WPYTWDVERZWZMD-UHFFFAOYSA-M","380211",NA,"PDBC54579","665685","Present"
-"Triphenyl-(4-triphenylphosphaniumylphenyl)phosphanium;bromide","","","","","","","","","","","","","","","","","","","","NSC665728","","C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]","QQDIRYKTVLPBCY-UHFFFAOYSA-M","380248",NA,"PDBC54580","665728","Present"
-"Triphenyl-[[(1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane","","","","","","","","","","","","","","","","","","","","Triphenyl-[[(1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane","","C1CC2(C3C1CNC3C(N2)C4=CC=CC=C4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","SQYPOGKJANYTJF-RTQLSXLOSA-N","401750",NA,"PDBC54581","715480","Present"
-"Triphenyl-[[2-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium;bromide","","","","","","","","","","","","","","","","","","","","o-Xylenebis-(triphenylphosphonium bromide)","","C1=CC=C(C=C1)[P+](CC2=CC=CC=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]","LJOZNYFRWWZJIL-UHFFFAOYSA-M","380170",NA,"PDBC54582","665614","Present"
-"Triphenyl-diphenylmethyl-phosphonium-bromide","","","","","","","","","","","","","","","","","","","","Phosphonium, (diphenylmethyl)triphenyl-, bromide","","C1=CC=C(C=C1)C(C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]","FTSCODUNODCCCT-UHFFFAOYSA-M","522488",NA,"PDBC54583","176878","Present"
-"Triphenylene","","","","","","","","","","","","","","","","","","","","isochrysene","","C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24","SLGBZMMZGDRARJ-UHFFFAOYSA-N","9170",NA,"PDBC54584","57455","Present"
-"Triphenylphosphonium cyclopentadienylide","","","","","","","","","","","","","","","","","","","","NSC624854","","C1=CC=C(C=C1)P(=C2C=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","MXGWLWRROFTJDZ-UHFFFAOYSA-N","122392",NA,"PDBC54585","624854","Present"
-"Triphenylplumbanol","","","","","","","","","","","","","","","","","","","","Triphenylplumbanol","","C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)C3=CC=CC=C3.O","NVXIRLZJUXDBQO-UHFFFAOYSA-N","6328765",NA,"PDBC54586","629928","Present"
-"Triphenylplumbyl 2-acetamido-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Triphenylplumbyl 2-acetamido-3-phenyl-propanoate","","","","",NA,"PDBC54587","628691","Present"
-"Triphenylplumbyl 2-benzamido-4-methyl-pentanoate","","","","","","","","","","","","","","","","","","","","Triphenylplumbyl 2-benzamido-4-methyl-pentanoate","","","","",NA,"PDBC54588","628689","Present"
-"Triphenylplumbyl 2-benzamidoacetate","","","","","","","","","","","","","","","","","","","","Triphenylplumbyl 2-benzamidoacetate","","","","",NA,"PDBC54589","628688","Present"
-"Triphenylplumbyl 2-formamido-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","Triphenylplumbyl 2-formamido-3-phenyl-propanoate","","","","",NA,"PDBC54590","628690","Present"
-"Triphenylplumbyl 2-phenylsulfanylacetate","","","","","","","","","","","","","","","","","","","","Triphenylplumbyl 2-phenylsulfanylacetate","","","","",NA,"PDBC54591","628693","Present"
-"Triphenylplumbyl 4-aminobenzoate","","","","","","","","","","","","","","","","","","","","Triphenylplumbyl 4-aminobenzoate","","","","",NA,"PDBC54592","628692","Present"
-"Triphenyltin chloride","","","","","","","","","","","","","","","","","","","","NSC1214///NSC43675","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Cl","NJVOZLGKTAPUTQ-UHFFFAOYSA-M","12540",NA,"PDBC54593","1214///43675","Present"
-"Triptolide 14-tert-butyl carbonate, tert-Butyl (3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-6a-iso-propyl-8b-methyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-6-yl carbonate","","","","","","","","","","","","","","","","","","","","Triptolide 14-tert-butyl carbonate, tert-Butyl (3bS,4aS,...","","CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2OC(=O)OC(C)(C)C)O7)COC6=O)C","LVHFSMVMWKBUOU-BWRTYORGSA-N","59168961",NA,"PDBC54594","751641","Present"
-"Triptolide N,N-dimethylacetate, (3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-6a-isopropyl-8b-methyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-6-yl N,N-dimethylacetate","","","","","","","","","","","","","","","","","","","","Triptolide N,N-dimethylacetate, (3bS,4aS,5aR,6R,6aS,7aS,...","","CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2OC(=O)CN(C)C)O7)COC6=O)C","NFUVUOYLXYYFGJ-NJXSKGHCSA-N","15867606",NA,"PDBC54595","751642","Present"
-"Triptonide","","","","","","","","","","","","","","","","","","","","Triptonide","","CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2=O)O7)COC6=O)C","SWOVVKGLGOOUKI-ZHGGVEMFSA-N","65411",NA,"PDBC54596","165677","Present"
-"Tris(1,10,12-tetraoxo-1,12-diphenyldodecanato)di-[neodymium(III)]-trihydrate","","","","","","","","","","","","","","","","","","","","Tris(1,3,10,12-tetraoxo-1,12-diphenyldodecanato)di- [neo...","","C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].[Nd+3].[Nd+3]","FDWIWARMDOEHHO-MICDYHQMSA-H","11979347",NA,"PDBC54597","647050","Present"
-"Tris(1,10,12-tetraoxo-1,12-diphenyldodecanato)di[lanthane (III)]-tetrahydrate","","","","","","","","","","","","","","","","","","","","Tris(1,3,10,12-tetraoxo-1,12-diphenyldodecanato)di[lanth...","","C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].[La+3].[La+3]","KYXVMPNDGCSICH-MICDYHQMSA-H","54601700",NA,"PDBC54598","647049","Present"
-"Tris(1,10,12-tetraoxo-1,12-diphenyldodecanato)di[yttrium (III)]-hexahydrate","","","","","","","","","","","","","","","","","","","","Tris(1,3,10,12-tetraoxo-1,12-diphenyldodecanato)di[yttri...","","C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].[Y+3].[Y+3]","YLPUSMHSGOXDNM-MICDYHQMSA-H","54608752",NA,"PDBC54599","647047","Present"
-"Tris(1,10-phenanthroline)cerium(III)-trithiocyanate","","","","","","","","","","","","","","","","","","","","Tris(1,10-phenanthroline)cerium(III)-trithiocyanate","","C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(#N)[S-].[Ce+3]","PMFAKUXJOOCVRI-UHFFFAOYSA-M","24202209",NA,"PDBC54600","632734","Present"
-"Tris(1,10-phenanthroline)lanthanum(III)-trithiocyanate","","","","","","","","","","","","","","","","","","","","Tris(1,10-phenanthroline)lanthanum(III)-trithiocyanate","","C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(#N)[S-].[La+3]","GFNHYZAZHNTKIE-UHFFFAOYSA-M","24202211",NA,"PDBC54601","632737","Present"
-"Tris(1,10-phenanthroline)neodymium(III)-trithiocyanate","","","","","","","","","","","","","","","","","","","","Tris(1,10-phenanthroline)neodymium(III)-trithiocyanate","","C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(#N)[S-].[Nd+3]","YJJKUZBNAYVIJQ-UHFFFAOYSA-M","24202207",NA,"PDBC54602","632730","Present"
-"Tris(1,3-dionata)gallium(III)","","","","","","","","","","","","","","","","","","","","Tris(1,3-diphenylpropane-1,3-dionata)gallium(III)","","C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ga+3]","NMCLHOAZPRPGDQ-UHFFFAOYSA-N","11979319",NA,"PDBC54603","632573","Present"
-"Tris(1-methyl-1H-imidazole-2-yl)methanol","","","","","","","","","","","","","","","","","","","","SJL 494","","CN1C=CN=C1C(C2=NC=CN2C)(C3=NC=CN3C)O","AZEWKNKNIMZFMA-UHFFFAOYSA-N","360178",NA,"PDBC54604","622148","Present"
-"Tris(1-phenyl-1,3-butanedionato)gallium(III)","","","","","","","","","","","","","","","","","","","","Tris(1-phenyl-1,3-butanedionato)gallium(III)","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ga+3]","XWCBTAFZXHQKCO-UHFFFAOYSA-N","11979318",NA,"PDBC54605","632570","Present"
-"Tris(1-phenyl-1,3-butanedionato)indium(III)","","","","","","","","","","","","","","","","","","","","Tris(1-phenyl-1,3-butanedionato)indium(III)","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[In+3]","DYRYYKACWQJGJV-UHFFFAOYSA-N","11979320",NA,"PDBC54606","632582","Present"
-"Tris(2,2'-bipyridyle)cerium(III)-trithiocyanate","","","","","","","","","","","","","","","","","","","","Tris(2,2'-bipyridyle)cerium(III)-trithiocyanate","","C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(#N)[S-].[Ce+3]","YGSGNJSGQXMUHB-UHFFFAOYSA-M","24202208",NA,"PDBC54607","632733","Present"
-"Tris(2,2'-bipyridyle)lanthanum(III)-trithiocyanate","","","","","","","","","","","","","","","","","","","","Tris(2,2'-bipyridyle)lanthanum(III)-trithiocyanate","","C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(#N)[S-].[La+3]","TZQMNHJTGUKMRA-UHFFFAOYSA-M","24202210",NA,"PDBC54608","632736","Present"
-"Tris(2,2'-bipyridyle)neodymium(III)-trithiocyanate","","","","","","","","","","","","","","","","","","","","Tris(2,2'-bipyridyle)neodymium(III)- trithiocyanate","","C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(#N)[S-].[Nd+3]","CRPVJUULEBZHOL-UHFFFAOYSA-M","24202206",NA,"PDBC54609","632729","Present"
-"Tris(2-cyanoethyl)phosphine gold 2,4,6 tetra-O-acetyl-1-seleno-D-glucopyranoside","","","","","","","","","","","","","","","","","","","","Tris(2-cyanoethyl)phosphine gold 2,3,4,6 tetra-O- acetyl...","","CC(=O)OCC1C(C(C(C(O1)[Se-])OC(=O)C)OC(=O)C)OC(=O)C.C(C[PH+](CCC#N)CCC#N)C#N.[Au+]","UCZOLWBONBJJMU-UHFFFAOYSA-N","6330648",NA,"PDBC54610","606488","Present"
-"Tris(2-methylchinoline-8-olato)indium(III)","","","","","","","","","","","","","","","","","","","","Tris(2-methylchinoline-8-olato)indium(III)","","","","",NA,"PDBC54611","633561","Present"
-"Tris(2-oxo-2,3-dihydrobenzoxazole-3-yl)phosphine oxide","","","","","","","","","","","","","","","","","","","","Tris(2-oxo-2,3-dihydrobenzoxazole-3-yl)phosphine oxide","","C1=CC=C2C(=C1)N(C(=O)O2)P(=O)(N3C4=CC=CC=C4OC3=O)N5C6=CC=CC=C6OC5=O","POSKSJRWFMXQGI-UHFFFAOYSA-N","359349",NA,"PDBC54612","620148","Present"
-"Tris(4,5-benztropolonato)bismuth(III)","","","","","","","","","","","","","","","","","","","","Tris(4,5-benztropolonato)bismuth(III)","","","","",NA,"PDBC54613","634367","Present"
-"Tris(4-chloro-2-hydroxypyridinato-O-)indium(III)-trihydrochloride","","","","","","","","","","","","","","","","","","","","Tris(4-chloro-2-hydroxypyridinato-O-)indium(III)- trihyd...","","C1=CC(=NC=C1Cl)O[In](OC2=NC=C(C=C2)Cl)OC3=NC=C(C=C3)Cl.Cl","YFCMUPBQLWLGFC-UHFFFAOYSA-K","16683561",NA,"PDBC54614","632810","Present"
-"Tris(4-methylimidazolium)hexachlororuthenate(III)","","","","","","","","","","","","","","","","","","","","Tris(4-methylimidazolium)hexachlororuthenate(III)","","","","",NA,"PDBC54615","632619","Present"
-"Tris(4-methylphenyl)-[(4-nitrophenyl)methyl]phosphanium;chloride","","","","","","","","","","","","","","","","","","","","NSC116689","","CC1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.[Cl-]","VFLPFMOEFJTYDP-UHFFFAOYSA-M","24190918",NA,"PDBC54616","116689","Present"
-"Tris(4-methylphenyl)sulfanium Chloride","","","","","","","","","","","","","","","","","","","","Sulfonium, tri-p-tolyl-, chloride","","CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.[Cl-]","GDXHNOZSKQKGCT-UHFFFAOYSA-M","5351245",NA,"PDBC54617","157930","Present"
-"Tris(4-methyltropolonato)bismuth(III)","","","","","","","","","","","","","","","","","","","","Tris(4-methyltropolonato)bismuth(III)","","","","",NA,"PDBC54618","634370","Present"
-"Tris(4-tert-butyl-2,6-dimethoxyphenyl)methanol","","","","","","","","","","","","","","","","","","","","Benzenemethanol, 4-(1,1-dimethylethyl)-.alpha.,.alpha.-b...","","CC(C)(C)C1=CC(=C(C(=C1)OC)C(C2=C(C=C(C=C2OC)C(C)(C)C)OC)(C3=C(C=C(C=C3OC)C(C)(C)C)OC)O)OC","ZFRIXUZTJBWSAG-UHFFFAOYSA-N","326946",NA,"PDBC54619","299863","Present"
-"Tris(4-tert-butylphenyl)methanol","","","","","","","","","","","","","","","","","","","","Tris(4-tert-butylphenyl)methanol","","CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)O","SSYBALDZBDEWMS-UHFFFAOYSA-N","357625",NA,"PDBC54620","617149","Present"
-"Tris(5,7-dibrominechinoline-8-olato)indium(III)","","","","","","","","","","","","","","","","","","","","Tris(5,7-dibrominechinoline-8-olato)indium(III)","","","","",NA,"PDBC54621","633562","Present"
-"Tris(5-(bis(4-tert-butylphenyl)(methoxy)methyl)-2,4-dimethylphenyl)methanol","","","","","","","","","","","","","","","","","","","","Tris(5-(bis(4-tert-butylphenyl)(methoxy)methyl)-2,4-dimethylphenyl)methanol","","CC1=CC(=C(C=C1C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)OC)C(C4=C(C=C(C(=C4)C(C5=CC=C(C=C5)C(C)(C)C)(C6=CC=C(C=C6)C(C)(C)C)OC)C)C)(C7=C(C=C(C(=C7)C(C8=CC=C(C=C8)C(C)(C)C)(C9=CC=C(C=C9)C(C)(C)C)OC)C)C)O)C","NXXJAMNTKFGWMI-UHFFFAOYSA-N","388205",NA,"PDBC54622","682797","Present"
-"Tris(5-nitrotropolonato)bismuth(III)","","","","","","","","","","","","","","","","","","","","Tris(5-nitrotropolonato)bismuth(III)","","","","",NA,"PDBC54623","634365","Present"
-"Tris(N,N-diethyldithiocarbonato)(S1,S2)gallium(III)","","","","","","","","","","","","","","","","","","","","Tris(N,N-diethyldithiocarbonato)(S1,S2)gallium(III)","","","","",NA,"PDBC54624","647062","Present"
-"Tris(acetylthio)methane","","","","","","","","","","","","","","","","","","","","Tris(acetylthio)methane","","CC(=O)SC(SC(=O)C)SC(=O)C","SRUXVGKEZVXLRV-UHFFFAOYSA-N","367808",NA,"PDBC54625","637833","Present"
-"Tris(phenylazotropolonato)bismuth(III)","","","","","","","","","","","","","","","","","","","","Tris(phenylazotropolonato)bismuth(III)","","","","",NA,"PDBC54626","634371","Present"
-"Tris(pyridiniumhydrochloride-2-olato)indium(III)","","","","","","","","","","","","","","","","","","","","Tris(pyridiniumhydrochloride-2-olato)indium(III)","","","","",NA,"PDBC54627","639606","Present"
-"Tris(tropolonato)bismuth(III)","","","","","","","","","","","","","","","","","","","","Tris(tropolonato)bismuth(III)","","","","",NA,"PDBC54628","634366","Present"
-"Tris(tropolonato)cerium(III)","","","","","","","","","","","","","","","","","","","","Tris(tropolonato)cerium(III)","","C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Ce+3]","UEXHJEIQHFUDGH-UHFFFAOYSA-K","366261",NA,"PDBC54629","634609","Present"
-"Tris(tropolonato)dysprosium(III)","","","","","","","","","","","","","","","","","","","","Tris(tropolonato)dysprosium(III)","","C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Dy+3]","STKVNGGITUKWHE-UHFFFAOYSA-K","366260",NA,"PDBC54630","634608","Present"
-"Tris(tropolonato)europium(III)","","","","","","","","","","","","","","","","","","","","Tris(tropolonato)europium(III)","","C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Eu+3]","WQHWOXKKEDWRHR-UHFFFAOYSA-K","366259",NA,"PDBC54631","634607","Present"
-"Tris(tropolonato)lanthane(III)","","","","","","","","","","","","","","","","","","","","Tris(tropolonato)lanthane(III)","","C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[La+3]","FOJJQSCAROIDAH-UHFFFAOYSA-K","366257",NA,"PDBC54632","634605","Present"
-"Tris(tropolonato)neodymium(III)","","","","","","","","","","","","","","","","","","","","Tris(tropolonato)neodymium(III)","","C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Nd+3]","ZXGROXUIPHHQOO-UHFFFAOYSA-K","366258",NA,"PDBC54633","634606","Present"
-"Tris(tropolonato)samarium(III)","","","","","","","","","","","","","","","","","","","","Tris(tropolonato)samarium(III)","","C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Sm+3]","YEVPHOPTLGNISK-UHFFFAOYSA-K","366262",NA,"PDBC54634","634610","Present"
-"Tris-2-(t-butyl)imidazoliumhexachlororuthenate(III)","","","","","","","","","","","","","","","","","","","","Tris-2-(t-butyl)imidazoliumhexachlororuthenate(III)","","","","",NA,"PDBC54635","630118","Present"
-"Tris-N,N-{[3-(3-hydroxy-2-oxo-2H-pyridin-1-yl)-propyl]}-amine tetrahydrobromide","","","","","","","","","","","","","","","","","","","","Tris-N,N,N-{[3-(3-hydroxy-2-oxo-2H-pyridin-1-yl)-propyl]...","","C1=CN(C(=O)C(=C1)O)CCCN(CCCN2C=CC=C(C2=O)O)CCN3C=CC=C(C3=O)O.Br","KELLCLPZRLBAJW-UHFFFAOYSA-N","54613677",NA,"PDBC54636","748389","Present"
-"Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon","","","","","","","","","","","","","","","","","","","","Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon","","C1=CC(=CC(=C1)C(F)(F)F)C(=O)C[Si](CC(=O)C2=CC(=CC=C2)C(F)(F)F)CC(=O)C3=CC(=CC=C3)C(F)(F)F","FSMCHLJQESOTLY-UHFFFAOYSA-N","6327809",NA,"PDBC54637","55879","Present"
-"Tris[phenyl(2-pyridyl)methaneoximato-N,N']trichloro-dysprosium(III)","","","","","","","","","","","","","","","","","","","","Tris[phenyl(2-pyridyl)methaneoximato-N,N']trichloro- dys...","","C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[Dy+3]","IAIRHMQMFYDDRI-CNXWMDQBSA-J","54600872",NA,"PDBC54638","647052","Present"
-"Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro-cerium(III)","","","","","","","","","","","","","","","","","","","","Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro- c...","","C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[Ce+3]","FJWDGMFMEXYQCF-CNXWMDQBSA-J","54608591",NA,"PDBC54639","647056","Present"
-"Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro-gadolinium(III)","","","","","","","","","","","","","","","","","","","","Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro- g...","","C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[Gd+3]","RUPFHXNHRGTEEE-CNXWMDQBSA-J","54608542",NA,"PDBC54640","647053","Present"
-"Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro-lanthane(III)","","","","","","","","","","","","","","","","","","","","Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro- l...","","C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[La+3]","INKJKNAXWHHJCY-CNXWMDQBSA-J","54608753",NA,"PDBC54641","647057","Present"
-"Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro-neodymium(III)","","","","","","","","","","","","","","","","","","","","Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro- n...","","C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[Nd+3]","KAYIXNRUNOXYJQ-CNXWMDQBSA-J","54604763",NA,"PDBC54642","647054","Present"
-"Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro-samarium(III)","","","","","","","","","","","","","","","","","","","","Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro- s...","","C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[Sm+3]","DFHCFTUTOLXLBS-CNXWMDQBSA-J","54608120",NA,"PDBC54643","647055","Present"
-"Triscutin B","","","","","","","","","","","","","","","","","","","","Triscutin B","","CC1=C2CCC3C(C2=CC4=C1OC5C(O4)C6=C(C7=C(C=C6C8(C5C9(CCC1(CCC(CC1C9(CC8)C)(C)C(=O)OC)C)C)C)OC1(C(=O)C=C2C(=CC=C4C2(CCC2(C4(CCC4(C2CC(CC4)(C)C(=O)OC)C)C)C)C)C1(O7)C)O)C)(CCC1(C3(CCC2(C1C(CCC2)(C)C(=O)OC)C)C)C)C","VFKOSISZXZVZSP-XQKOXICPSA-N","402812",NA,"PDBC54644","717063","Present"
-"Trisoxinatoindium(III)","","","","","","","","","","","","","","","","","","","","Trisoxinatoindium(III)","","","","",NA,"PDBC54645","632581","Present"
-"Trityl azide","","","","","","","","","","","","","","","","","","","","trityl azide","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N=[N+]=[N-]","OZHQKHFCDZKWFC-UHFFFAOYSA-N","84340",NA,"PDBC54646","87890","Present"
-"Tritylcysteine","","","","","","","","","","","","","","","","","","","","Trityl cysteine","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N","DLMYFMLKORXJPO-UHFFFAOYSA-N","256411",NA,"PDBC54647","83265","Present"
-"Tropodithietic acid","","","","","","","","","","","","","","","","","","","","Tropodithietic Acid","","C1=CC(=O)C(=C2C(=C1)SS2)C(=O)O","BLFCMITWMARUSM-UHFFFAOYSA-N","44632924",NA,"PDBC54648","781618","Present"
-"Tropolone","","","","","","","","","","","","","","","","","","","","Purpurocatechol","","C1=CC=C(C(=O)C=C1)O","MDYOLVRUBBJPFM-UHFFFAOYSA-N","10789",NA,"PDBC54649","89303","Present"
-"Trunculin A","","","","","","","","","","","","","","","","","","","","Trunculin A","","CC1=CC2CC(=C(C(C2CC1)(C)C)CCC3(CCC(OO3)C(C)C(=O)O)C)C","BGJFOTULBGQTPJ-RFYXGITPSA-N","5459125",NA,"PDBC54650","625516","Present"
-"Trunculin B","","","","","","","","","","","","","","","","","","","","Trunculin B","","CC1=CC2CC3(C(CC(O3)C4(CCC(OO4)C(C)C(=O)O)C)C(C2CC1)(C)C)C","HVANTBKYRQAYSD-BMSPBDOPSA-N","6711390",NA,"PDBC54651","625517","Present"
-"Trunculin-A methyl ester","","","","","","","","","","","","","","","","","","","","Trunculin-A methyl ester","","CC1=CC2CC(=C(C(C2CC1)(C)C)CCC3(CCC(OO3)C(C)C(=O)OC)C)C","SXELECXXRAJAPF-VDBUNRCNSA-N","54608546",NA,"PDBC54652","641035","Present"
-"Trunculin-B methyl ester","","","","","","","","","","","","","","","","","","","","Trunculin-B methyl ester","","CC1=CC2CC3(C(CC(O3)C4(CCC(OO4)C(C)C(=O)OC)C)C(C2CC1)(C)C)C","PNOATZDSQDNWLZ-KHCMCSOFSA-N","6711772",NA,"PDBC54653","641036","Present"
-"Truxenone","","","","","","","","","","","","","","","","","","","","Truxenone","","C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C5=C3C(=O)C6=CC=CC=C65)C(=O)C7=CC=CC=C74","HSMDIUMGCHZHNI-UHFFFAOYSA-N","380507",NA,"PDBC54654","666122","Present"
-"Tryparsone","","","","","","","","","","","","","","","","","","","","novatoxyl","","C1=CC(=CC=C1NCC(=O)N)[As](=O)(O)O.[Na+]","UEYIAABRKWHXJV-UHFFFAOYSA-N","20838042",NA,"PDBC54655","2050","Present"
-"Tryptazan","","","","","","","","","","","","","","","","","","","","tryptazan","","C1=CC2=C(NN=C2C=C1)CC(C(=O)O)N","IFEKQNAXDMZERW-UHFFFAOYSA-N","95318",NA,"PDBC54656","1460","Present"
-"Tsugicoline A","","","","","","","","","","","","","","","","","","","","Tsugicoline A","","CC1(CC2C(C1)C3(C(C(=O)C3=C(C2O)CO)O)C)C","PAMKMSXEULAYKN-TZBUPLKMSA-N","391094",NA,"PDBC54657","689629","Present"
-"Tubacetine","","","","","","","","","","","","","","","","","","","","Tubacetine","","CC(=O)OC(CCC1(C(O1)COC2=CC=C(C=C2)CCNC(=O)C3=CC=CC=C3)C)C(C)(C)OC(=O)C","NOVLFFMRABKFQF-UHFFFAOYSA-N","376181",NA,"PDBC54658","656714","Present"
-"Tubasenecine","","","","","","","","","","","","","","","","","","","","Tubasenecine","","CC(=CC(=O)NCCC1=CC=C(C=C1)OCC2C(O2)(C)CCC(C(C)(C)OC(=O)C)OC(=O)C)C","KKYDPPWGPQTTKD-UHFFFAOYSA-N","376182",NA,"PDBC54659","656715","Present"
-"Tuberactinomycin (tuberactin)","","","","","","","","","","","","","","","","","","","","Tuberactinomycin (tuberactin)","","","","",NA,"PDBC54660","134054","Present"
-"Tubercidin 3', 5'-cyclic phosphate sesquihydrate","","","","","","","","","","","","","","","","","","","","TUBERCIDIN 3', 5'-CYCLIC PHOSPHATE SESQUIHYDRATE","","C1C2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)OP(=O)(O1)O","LCYHXWIEMRESTK-UHFFFAOYSA-N","271768",NA,"PDBC54661","115712","Present"
-"Tuberin","","","","","","","","","","","","","","","","","","","","tuberin","","COC1=CC=C(C=C1)C=CNC=O","SZCZSKMCTGEJKI-VOTSOKGWSA-N","5352006",NA,"PDBC54662","73832","Present"
-"Tuberine","","","","","","","","","","","","","","","","","","","","Tuberine","","CC(=O)OC(C)(C)C1CCC(O1)(C)C(COC2=CC=C(C=C2)CCNC(=O)C3=CC=CC=C3)O","GFABGVSRKCKLKA-UHFFFAOYSA-N","376183",NA,"PDBC54663","656716","Present"
-"Tubulosine","","","","","","","","","","","","","","","","","","","","Marckine","","CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC","JRVWIILYWSBUMC-PRUVNFMMSA-N","72341",NA,"PDBC54664","131547","Present"
-"Tubulysin M","","","","","","","","","","","","","","","","","","","","NSC784013","","CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","POBZYODNVHQLFG-ZRBKHQLFSA-N","23634457",NA,"PDBC54665","784013","Present"
-"Tulobuterol hydrochloride","","","","","","","","","","","","","","","","","","","","TULOBUTEROL","","CC(C)(C)NCC(C1=CC=CC=C1Cl)O.Cl","RSLNRVYIRDVHLY-UHFFFAOYSA-N","5702285",NA,"PDBC54666","758643","Present"
-"Tunicamycin","","","","","","","","","","","","","","","","","","","","Tunicamycin","","","","",NA,"PDBC54667","177382","Present"
-"Tylocrebrine","","","","","","","","","","","","","","","","","","","","tylocrebrin","","COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC","YFEPHJVWLFGWKH-CQSZACIVSA-N","246845",NA,"PDBC54668","60387","Present"
-"Tyloindicine F","","","","","","","","","","","","","","","","","","","","Tyloindicine F","","COC1=CC=C(C=C1)C2=CC3(CCCN3CC2C4=CC(=C(C=C4)OC)OC)O","WHTUBPJAGYKOQP-NFBKMPQASA-N","373658",NA,"PDBC54669","650393","Present"
-"Tyloindicine G","","","","","","","","","","","","","","","","","","","","Tyloindicine G","","COC1=C(C=C2C(=C1)C3CN4CCCC4(C=C3C5=CC(=C(C=C25)OC)OC)O)OC","KKOZIXJFGMEJCY-NTKDMRAZSA-N","373659",NA,"PDBC54670","650394","Present"
-"Tyloindicine H","","","","","","","","","","","","","","","","","","","","Tyloindicine H","","COC1=C(C2=C(C=C1)C3=CC4CCCN4CC3C5=CC(=C(C=C52)OC)OC)O","KXSJHSREHJDQJT-UGSOOPFHSA-N","373660",NA,"PDBC54671","650395","Present"
-"Tyloindicine I","","","","","","","","","","","","","","","","","","","","Tyloindicine I","","COC1=C(C=C(C=C1)C2=CN3CCCC3C=C2C4=CC(=C(C(=C4)OC)OC)O)OC","ZFICSRNQVIMLDY-KRWDZBQOSA-N","373661",NA,"PDBC54672","650396","Present"
-"Tylophorine","","","","","","","","","","","","","","","","","","","","NSC717335///NSC76387","","COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC","SSEUDFYBEOIWGF-AWEZNQCLSA-N","92114",NA,"PDBC54673","717335///76387","Present"
-"Tylosin","","","","","","","","","","","","","","","","","","","Tylosin","","","CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC","WBPYTXDJUQJLPQ-VMXQISHHSA-N","5280440",NA,"PDBC54674","","Absent"
-"Tyrphostin 47","","","","","","","","","","","","","","","","","","","Tyrphostin 47","Tyrphostin 47","","C1=CC(=C(C=C1C=C(C#N)C(=S)N)O)O","ZGHQGWOETPXKLY-XVNBXDOJSA-N","667601",NA,"PDBC54675","638083","Present"
-"Tyrphostin A25","","","","","","","","","","","","","","","","","","","Tyrphostin 25","","","C1=C(C=C(C(=C1O)O)O)C=C(C#N)C#N","YZOFLYUAQDJWKV-UHFFFAOYSA-N","2061",NA,"PDBC54676","","Absent"
-"Tyrphostin AG 126","","","","","","","","","","","","","","","","","","","AG-126","","","C1=CC(=C(C=C1C=C(C#N)C#N)O)[N+](=O)[O-]","DUQADSPERJRQBW-UHFFFAOYSA-N","2046",NA,"PDBC54677","","Absent"
-"Tyrphostin AG 808","","","","","","","","","","","","","","","","","","","","2-Propenenitrile, 3-(1H-indol-3-yl)-2-(3,4-dihydroxy- be...","","C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C(=O)C3=CC(=C(C=C3)O)O","TTZDOBVWBQXGDC-KPKJPENVSA-N","5329275",NA,"PDBC54678","650934","Present"
-"Tyrphostin AG-114","","","","","","","","","","","","","","","","","","","","Tyrphostin AG-114","","C1=CC(=C(C=C1C=C(C#N)C(=C(C#N)C#N)N)O)O","QUSWOXFVFXXENN-YCRREMRBSA-N","5328806",NA,"PDBC54679","650563","Present"
-"U 20043","","","","","","","","","","","","","","","","","","","","U 20043","","C1CSC(S1)CC(C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)O","JFUBQIQBWASUOK-UHFFFAOYSA-N","265955",NA,"PDBC54680","102814","Present"
-"U3P1689PZY","","","","","","","","","","","","","","","","","","","","U3P1689PZY","","C1CCC2=C(C1)N=C(S2)NC(=O)CSC(=S)N3CCOCC3","UZURKWYRKRDHNW-UHFFFAOYSA-N","373881",NA,"PDBC54681","650844","Present"
-"UC 82","","","","","","","","","","","","","","","","","","","","UC 82","","CC1=C(C=CS1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C","ORTIQSICVORWBJ-UHFFFAOYSA-N","3000927",NA,"PDBC54682","675187","Present"
-"UC-38","","","","","","","","","","","","","","","","","","","","UC-38","","CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)OC(C)C)Cl","AXTNFJKQZPETJA-UHFFFAOYSA-N","3000477",NA,"PDBC54683","629243","Present"
-"UC20","","","","","","","","","","","","","","","","","","","","UC20","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C3CC3","SQEXNUNPTRMKMI-UHFFFAOYSA-N","3000950",NA,"PDBC54684","647024","Present"
-"UC34","","","","","","","","","","","","","","","","","","","","UC34","","CC1=C(SCCO1)C(=O)N(C)C2=CC(=C(C=C2)Cl)C(=O)OC(C)C","ANQVCFBUWJYKTI-UHFFFAOYSA-N","365256",NA,"PDBC54685","632780","Present"
-"UC57","","","","","","","","","","","","","","","","","","","","UC57","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOCC=C","DJSIDTVOVQBTCC-VCHYOVAHSA-N","9554693",NA,"PDBC54686","647014","Present"
-"UC939","","","","","","","","","","","","","","","","","","","","UC939","","CC(C)(C)ON=CC1=C(C=CC(=C1)NC(=S)C2=CSC=C2)Cl","JPZLUFUAACOGIT-GIJQJNRQSA-N","9554699",NA,"PDBC54687","668856","Present"
-"UCAZKOGHTSCQJD-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","UCAZKOGHTSCQJD-UHFFFAOYSA-N","","CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C3=CC=CO3","UCAZKOGHTSCQJD-UHFFFAOYSA-N","387756",NA,"PDBC54688","681785","Present"
-"UCB 2493","","","","","","","","","","","","","","","","","","","","UCB 2493","","CC(CN1CCN(CC1)CCOCCO)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl","CSJGNRAVTRAKFB-UHFFFAOYSA-N","99045",NA,"PDBC54689","169096","Present"
-"UJG91SCR75","","","","","","","","","","","","","","","","","","","","UJG91SCR75","","C1=C(OC(=C1)C2=NC(=CS2)C(=O)N)CO","OQCLZQWTNBBAKN-UHFFFAOYSA-N","335825",NA,"PDBC54690","347464","Present"
-"UNCSYWYTUBIMHD-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","UNCSYWYTUBIMHD-UHFFFAOYSA-N","","CN1C(=O)N2C=NC(=C2N=N1)C(=S)N","UNCSYWYTUBIMHD-UHFFFAOYSA-N","3352880",NA,"PDBC54691","689302","Present"
-"UNIROYAL ANALOG","","","","","","","","","","","","","","","","","","","","UNIROYAL ANALOG","","CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)C","GMMWMLRSGQSQHI-GIJQJNRQSA-N","9554692",NA,"PDBC54692","641660","Present"
-"UNM-0000305770","","","","","","","","","","","","","","","","","","","","UNM-0000305770","","C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)Br)O","XMPHNZMDLSUDQI-UHFFFAOYSA-N","403165",NA,"PDBC54693","717817","Present"
-"UNM000000670101","","","","","","","","","","","","","","","","","","","","UNM000000670101","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NCC(C1=CC=CC=C1)O","QFNOUVDGXWMRBF-UHFFFAOYSA-N","383569",NA,"PDBC54694","671987","Present"
-"UPCMLD00W3025","","","","","","","","","","","","","","","","","","","","UPCMLD00W3025","","C1C(C(=O)OC12C=CC(=O)C=C2)NC(=O)OCC3=CC=CC=C3","PGKQZJADGOPNLL-AWEZNQCLSA-N","371587",NA,"PDBC54695","645979","Present"
-"UPCMLD02APSI002042","","","","","","","","","","","","","","","","","","","","UPCMLD02APSI002042","","COC1=C(C=C(C=C1)CN2C3=C(C=C2C(=O)N4CCCC4)C5C(C3)CN(C5(CC6=CC=CC=C6)C(=O)OC)C(=O)C7=CC=CC=C7)OC","FBCSCJATBWRZKW-UYCCPRBBSA-N","3247140",NA,"PDBC54696","735393","Present"
-"UQSFEHLMJORMQA-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","UQSFEHLMJORMQA-UHFFFAOYSA-N","","CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2","UQSFEHLMJORMQA-UHFFFAOYSA-N","385599",NA,"PDBC54697","676896","Present"
-"UQX84B2SB9","","","","","","","","","","","","","","","","","","","","UQX84B2SB9","","C1=CC=C2C(=C1)C=C3N2C(=O)C4=CC5=CC=CC=C5N4C3=O","KVIOIFKWKBDGAV-UHFFFAOYSA-N","325616",NA,"PDBC54698","294614","Present"
-"US10246444, Example 90","","","","","","","","","","","","","","","","","","","","NSC787237","","C1C(CSS1)CC(=O)NC2=C(C=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)OCC(CO)O","UVWRRZRGHPHHLL-HSZRJFAPSA-N","135236611",NA,"PDBC54699","787237","Present"
-"US10246444, Example 92","","","","","","","","","","","","","","","","","","","","NSC787238","","C1C(CSS1)CC(=O)NC2=C(C=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)OCC(CO)O","UVWRRZRGHPHHLL-QHCPKHFHSA-N","135236945",NA,"PDBC54700","787238","Present"
-"US10266549, Example 14","","","","","","","","","","","","","","","","","","","","2-((5-bromo-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4...","","CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=CC(=C(C(=C3)OC)OC)OC","VPALTONRQJGXKI-UHFFFAOYSA-N","118905689",NA,"PDBC54701","803593","Present"
-"US10669234, Example 122","","","","","","","","","","","","","","","","","","","","NSC788435","","C1CC(N(C1)C#N)C(=O)N2CCC3=C(C=CC=C32)C4=C5C=CC=NC5=NN4","ITVHSCOFHWBGHL-KRWDZBQOSA-N","135205141",NA,"PDBC54702","788435","Present"
-"US8987474, HL1-056 (NSC-117199)","","","","","","","","","","","","","","","","","","","","US8987474, HL1-056 (NSC-117199)","","C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3)S(=O)(=O)O)O)[N+](=O)[O-]","ZJSOBJXQXMFSSR-UHFFFAOYSA-N","3246406",NA,"PDBC54703","117199","Present"
-"US9029401, 2278 (t-CUPM)","","","","","","","","","","","","","","","","","","","","trans-4-{4-[3-(4-chloro-3-trifluoromethyl-phenyl)-ureido...","","CNC(=O)C1=NC=CC(=C1)OC2CCC(CC2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F","VZOUKWZMPPMODY-UHFFFAOYSA-N","60150671",NA,"PDBC54704","762901","Present"
-"US9320734, 316","","","","","","","","","","","","","","","","","","","","US9320734, 316","","CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C4=CC=C(C=C4)Cl","HRJNALBHZAXUKU-UHFFFAOYSA-N","335987",NA,"PDBC54705","348900","Present"
-"UZFQDPJMWANVCH-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","UZFQDPJMWANVCH-UHFFFAOYSA-N","","C1COS(=O)(=O)C(S(=O)(=O)O1)F","UZFQDPJMWANVCH-UHFFFAOYSA-N","380419",NA,"PDBC54706","665942","Present"
-"UZVIEHHFXNOPBW-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","UZVIEHHFXNOPBW-UHFFFAOYSA-N","","C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)CO)N","UZVIEHHFXNOPBW-UHFFFAOYSA-N","402863",NA,"PDBC54707","717148","Present"
-"Ucn-01","","","","","","","","","","","","","","","","","","","","UCN-01","","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC","PBCZSGKMGDDXIJ-KRUBCLEUSA-N","3078519",NA,"PDBC54708","800958","Present"
-"Ukrain","","","","","","","","","","","","","","","","","","","","Ukrain","","C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C.O","FPORNMFLKJTCFO-GIBOVVLPSA-N","11969872",NA,"PDBC54709","631570","Present"
-"Uleine","","","","","","","","","","","","","","","","","","","","ULEINE","","CCC1C2CCN(C1C3=C(C2=C)NC4=CC=CC=C43)C","MFFIRXGJJPPAMA-UHFFFAOYSA-N","252320",NA,"PDBC54710","73900","Present"
-"Umbelliferone","","","","","","","","","","","","","","","","","","","","skimmetin","","C1=CC(=CC2=C1C=CC(=O)O2)O","ORHBXUUXSCNDEV-UHFFFAOYSA-N","5281426",NA,"PDBC54711","19790","Present"
-"Umbralisib","","","","","","","","","","","","","","","","","","","","umbralisib","","CC(C)OC1=C(C=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C(C)C4=C(C(=O)C5=C(O4)C=CC(=C5)F)C6=CC(=CC=C6)F)F","IUVCFHHAEHNCFT-INIZCTEOSA-N","72950888",NA,"PDBC54712","800405","Present"
-"Undecanamide, 11,11'-dithiobis(N-vanillyl-","","","","","","","","","","","","","","","","","","","","LS-158387","","COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCC2=CC(=C(C=C2)O)OC)O","ZQLIHLFWNQYXJE-UHFFFAOYSA-N","377615",NA,"PDBC54713","659192","Present"
-"Undecylenic acid","","","","","","","","","","","","","","","","","","","","declid","","C=CCCCCCCCCC(=O)O","FRPZMMHWLSIFAZ-UHFFFAOYSA-N","5634",NA,"PDBC54714","2013","Present"
-"Unguinol, 2-chloro-","","","","","","","","","","","","","","","","","","","","Unguinol, 2-chloro-","","CC=C(C)C1=CC(=C(C2=C1OC3=C(C(=C(C(=C3)O)Cl)C)C(=O)O2)C)O","KZPINWADEGOBQG-VMPITWQZSA-N","5387596",NA,"PDBC54715","625059","Present"
-"Unii-16720ver1H","","","","","","","","","","","","","","","","","","","","NSC783249///NSC800775","","CN1CCCCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C1)C=CC(=C4)Br)OC","JXDYOSVKVSQGJM-UHFFFAOYSA-N","11952856",NA,"PDBC54716","783249///800775","Present"
-"Unii-17van37K4Y","","","","","","","","","","","","","","","","","","","","(11beta,17beta)-17-hydroxy-11-[3,4-(methylenedioxy)pheny...","","CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC6=C(C=C5)OCO6)C)O","DFELGYQKEOCHOA-BZAFBGKRSA-N","9867361",NA,"PDBC54717","791571","Present"
-"Unii-3B512hjd65","","","","","","","","","","","","","","","","","","","","PF-06873600","","CC1(CCCC1N2C3=NC(=NC=C3C=C(C2=O)C(F)F)NC4CCN(CC4)S(=O)(=O)C)O","QIEKHLDZKRQLLN-FOIQADDNSA-N","134247638",NA,"PDBC54718","812927","Present"
-"Unii-3BY9Z3M34G","","","","","","","","","","","","","","","","","","","","AZD-4205","","CC(C(=O)NC1=CC=CC2=C1NC=C2C3=NC(=NC=C3)NC4=CN(N=C4OC)C)N5CCN(CC5)C","CVCVOSPZEVINRM-MRXNPFEDSA-N","126715380",NA,"PDBC54719","801813","Present"
-"Unii-5TT4A4mblr","","","","","","","","","","","","","","","","","","","","CT-32228","","CC1=C(C=C(C=C1)Cl)C2=NC(=NC(=N2)NC3=CC=C(C=C3)Br)N","NUPGPJBRKLLVNK-UHFFFAOYSA-N","9886720",NA,"PDBC54720","762419","Present"
-"Unii-6lgr0ryy5Q","","","","","","","","","","","","","","","","","","","","SEL-120","","CC1=C2C3=C(CCCN3C(=N2)N4CCNCC4)C(=C1Br)Br","FSBMCTDYWXIBLM-UHFFFAOYSA-N","73776233",NA,"PDBC54721","805500","Present"
-"Unii-97W7N9T08G","","","","","","","","","","","","","","","","","","","","AMG-176","","CC1CC=CC(C2CCC2CN3CC4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)C1C)OC","JQNINBDKGLWYMU-GEAQBIRJSA-N","118910268",NA,"PDBC54722","804041","Present"
-"Unii-B68083E4YG","","","","","","","","","","","","","","","","","","","","CEP-9722","","CN1CCN(CC1)CN2C(=O)C3=C(C2=O)C4=C(C5=C3CCC5)NC6=C4C(=CC=C6)OC","CTLOSZHDGZLOQE-UHFFFAOYSA-N","24780387",NA,"PDBC54723","768593","Present"
-"Unii-I0DX1FG55Y","","","","","","","","","","","","","","","","","","","","E-7386","","CCN1CCN(CC1)C2CN(C2)C3=CC=CC(=N3)CN4CC5N(C(C4=O)CC6=C(C=C(C=C6)O)F)C(=O)CN(N5C(=O)NCC7=CC=CC=C7)CC=C","ZGNKNLOBYFTGRG-GIWKVKTRSA-N","91810345",NA,"PDBC54724","820052","Present"
-"Unii-TQ6pbx1JU0","","","","","","","","","","","","","","","","","","","","1-{3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-d...","","CC1=CN=C(N1)C2=C3C(=C(C=C2)C4=C(C=C(C=C4)NC(=O)NC5=C(C=C(C=C5F)F)F)F)CNC3=O","MWHHJYUHCZWSLS-UHFFFAOYSA-N","118480924",NA,"PDBC54725","791692","Present"
-"Unii-UB24Z27Z5N","","","","","","","","","","","","","","","","","","","","NCIMech_000322","","C1=CC(=O)C2=C(C(=C(C(=C2C1=O)O)COC(=O)N)COC(=O)N)O","VCZBTSKVAAVCJJ-UHFFFAOYSA-N","312765",NA,"PDBC54726","224124","Present"
-"Unii-W01GT2R6X2","","","","","","","","","","","","","","","","","","","","12H-7,11-Nitrilo-6H,20H-dibenzo[b,m][1,15,5,8,11] dioxat...","","C1CN=CC2=CC=CC=C2OCC3=NC(=CC=C3)COC4=CC=CC=C4C=NCCN1","CPUMPYHWJQXHHV-UHFFFAOYSA-N","388222",NA,"PDBC54727","682815","Present"
-"Unii-W6F4frq5QC","","","","","","","","","","","","","","","","","","","","CC-90011 besylate","","CN1C(=O)C(=C(N=C1N2CCC(CC2)N)C3=CC(=C(C=C3)C#N)F)C4=CC(=C(C=C4)OC)F","NBAIXBAUHIQQGF-UHFFFAOYSA-N","118483201",NA,"PDBC54728","822744","Present"
-"Unii-X4745nyk8U","","","","","","","","","","","","","","","","","","","","9,10-Dihydroxy-5,7-dimethoxy-1H-naphtho(2,3c)pyran-1-one","","CC1=CC2=C(C3=CC(=CC(=O)C3=C(C2=C(O1)O)O)OC)OC","VSCKPWVJVLWGPW-UHFFFAOYSA-N","135558",NA,"PDBC54729","720840","Present"
-"Unii-XQ43H3V6M1","","","","","","","","","","","","","","","","","","","","TAK-981 oxalate","","CC1=C(C=C(S1)C(=O)C2=CN=CN=C2NC3CC(C(C3)O)COS(=O)(=O)N)C4C5=C(CCN4)C=CC(=C5)Cl","LXRZVMYMQHNYJB-UNXOBOICSA-N","118628567",NA,"PDBC54730","820784","Present"
-"Unii-gvm730chww","","","","","","","","","","","","","","","","","","","","EMD-1204831","","CN1C=C(C=N1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)C4=NC=C(C=N4)OCCN5CCOCC5","CIUKPBWULKEZMF-UHFFFAOYSA-N","25134692",NA,"PDBC54731","767954","Present"
-"Unii-jup57A8epz","","","","","","","","","","","","","","","","","","","","AZD-9833","","CC1CC2=C(C=CC3=C2C=NN3)C(N1CC(F)(F)F)C4=NC=C(C=C4)NC5CN(C5)CCCF","WDHOIABIERMLGY-CMJOXMDJSA-N","134453496",NA,"PDBC54732","828717","Present"
-"Unii-oqm5SD32BQ","","","","","","","","","","","","","","","","","","","","Dxd","","CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CO)O","PLXLYXLUCNZSAA-QLXKLKPCSA-N","117888634",NA,"PDBC54733","825332","Present"
-"Uniroyal Compound-38","","","","","","","","","","","","","","","","","","","","Uniroyal Compound-38","","CC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C","FMQGUMRNTBJHEA-UHFFFAOYSA-N","1385",NA,"PDBC54734","615985","Present"
-"Untenic acid","","","","","","","","","","","","","","","","","","","","Untenic acid","","CC(=CC=CC1(CCCC2=C1OC=C2)C)CCCC(=C)CC(=O)O","LNOWBOSAKPCEMX-CLSYNVFISA-N","11970051",NA,"PDBC54735","657964","Present"
-"Upro-PAME","","","","","","","","","","","","","","","","","","","","Upro-PAME","","CC1=CCCC(C=CCC2(C(O2)CC(CC1)C(=C)C(=O)OC)C)(C)O","HRPMNAKVKOFOIM-FPAJACGVSA-N","54611345",NA,"PDBC54736","699121","Present"
-"Uprolide H","","","","","","","","","","","","","","","","","","","","Uprolide H","","CC1CCCC(C=CCC2(C(O2)CC3C(C1=O)OC(=O)C3=C)C)(C)O","UBWCCSDCQXXMNN-SPPSWNQRSA-N","54611651",NA,"PDBC54737","721052","Present"
-"Uracil, (2S,trans)-","","","","","","","","","","","","","","","","","","","","2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-[tetrahydro-5-oxo...","","C[Si](C)(C)OC1CC(=O)OC1N2C=C(C(=O)NC2=O)F","VUNMNCXPWSZIGW-UHFFFAOYSA-N","434954",NA,"PDBC54738","361605","Present"
-"Uracil, 3-methyl-6-(phenylhydrazino)-","","","","","","","","","","","","","","","","","","","","Uracil, 3-methyl-6-(phenylhydrazino)-","","CN1C(=O)C=C(NC1=O)NNC2=CC=CC=C2","NFBSQDDMUNRPKD-UHFFFAOYSA-N","385874",NA,"PDBC54739","677274","Present"
-"Uracil,2-bis(ethoxycarbonyl)ethenyl]-, cis-","","","","","","","","","","","","","","","","","","","","Uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-, cis-","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)NC1=O","XYMMVIVREVUTSP-FPLPWBNLSA-N","5468899",NA,"PDBC54740","678989","Present"
-"Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl)-, trans","","","","","","","","","","","","","","","","","","","","Uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl...","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC=C","HGLPMBDVMXOGKQ-ZHACJKMWSA-N","5468906",NA,"PDBC54741","679003","Present"
-"Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (E)-","","","","","","","","","","","","","","","","","","","","2-Butenedioic acid, (E)-, 2-(1,2,3,4-tetrahydro-2,4-diox...","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC#C","ZBTXGWUFKXPJEY-ZHACJKMWSA-N","5469885",NA,"PDBC54742","693984","Present"
-"Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (Z)-","","","","","","","","","","","","","","","","","","","","2-Butenedioic acid, (Z)-, 2-(1,2,3,4-tetrahydro-2,4-diox...","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC#C","ZBTXGWUFKXPJEY-KHPPLWFESA-N","5469884",NA,"PDBC54743","693983","Present"
-"Uracil,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-","","","","","","","","","","","","","","","","","","","","Uracil, 1,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-","","CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)C(=CC(=O)OCC)C(=O)OCC","UPHYNRRUSIKYTL-HEEUSZRZSA-N","6381423",NA,"PDBC54744","679005","Present"
-"Urdamycin A, pentaacetate","","","","","","","","","","","","","","","","","","","","Urdamycin A, pentaacetate","","","","",NA,"PDBC54745","613244","Present"
-"Urea deriv. 32","","","","","","","","","","","","","","","","","","","","GW830900A","","CN(C)CCNC(=O)NC1=CC=C(C=C1)N(C)C2=NC(=NC=C2)NC3=CC=C(C=C3)CS(=O)(=O)C","WDCDRYHNMJJKBE-UHFFFAOYSA-N","5329838",NA,"PDBC54746","756398","Present"
-"Urea deriv. 33","","","","","","","","","","","","","","","","","","","","GW830365A","","CN(C1=CC=C(C=C1)NC(=O)NCCN2CCOCC2)C3=NC(=NC=C3)NC4=CC=C(C=C4)CS(=O)(=O)C","UHEFETJAUKNRQO-UHFFFAOYSA-N","5329839",NA,"PDBC54747","756397","Present"
-"Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-","","","","","","","","","","","","","","","","","","","","Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-","","C1CSC2=CC=CC=C2C1NC(=O)N(CCCl)N=O","YYNJYTGDJJPAFO-UHFFFAOYSA-N","98351",NA,"PDBC54748","110800","Present"
-"Urea, 1-benzyl-3-(2-chloroethyl)-","","","","","","","","","","","","","","","","","","","","LS-158932","","C1=CC=C(C=C1)CNC(=O)NCCCl","CNQHZLLOIIQGKB-UHFFFAOYSA-N","98726",NA,"PDBC54749","162260","Present"
-"Urea, 1-methyl-3-(5-nitro-2-benzimidazolyl)-","","","","","","","","","","","","","","","","","","","","urea, 1-methyl-3-(5-nitro-2-benzimidazolyl)-","","CNC(=O)NC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]","XSGBKKUVKNYNJI-UHFFFAOYSA-N","3740466",NA,"PDBC54750","109871","Present"
-"Urea, N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-","","","","","","","","","","","","","","","","","","","","3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-1,1-dimethylurea","","CN(C)C(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","AAJKEAZZFRWDRU-UHFFFAOYSA-N","360497",NA,"PDBC54751","622631","Present"
-"Urea, N-(1-((2-amino-4-pyridinyl)methyl)-1H-indol-4-yl)-N'-(5-bromo-2-methoxyphenyl)-","","","","","","","","","","","","","","","","","","","","CGI Diphenylurea PK inhibitor///JI-101","","COC1=C(C=C(C=C1)Br)NC(=O)NC2=C3C=CN(C3=CC=C2)CC4=CC(=NC=C4)N","ZXBFYBLSJMEBEP-UHFFFAOYSA-N","11691242",NA,"PDBC54752","762381///801003","Present"
-"Urea, N-(2-chloroethyl)-N',N'-dimethyl-N-nitroso-","","","","","","","","","","","","","","","","","","","","Urea, N-(2-chloroethyl)-N',N'-dimethyl-N-nitroso- (9CI)","","CN(C)C(=O)N(CCCl)N=O","NEQGOOOOLVHDDF-UHFFFAOYSA-N","99604",NA,"PDBC54753","247513","Present"
-"Urea, N-(6,7-dichloro-3-cyano-1,4-dioxido-2-quinoxalinyl)-N'-[2-(dimethylamino)ethyl]-","","","","","","","","","","","","","","","","","","","","Urea, N-(6,7-dichloro-3-cyano-1,4-dioxido-2-quinoxalinyl)-N'-[2-(dimethylamino)ethyl]-","","CN(C)CCNC(=O)NC1=[N+](C2=CC(=C(C=C2[N+](=C1C#N)[O-])Cl)Cl)[O-]","QOLIGFLCFUIOCS-UHFFFAOYSA-N","135436277",NA,"PDBC54754","717104","Present"
-"Urea, N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N'-propyl-","","","","","","","","","","","","","","","","","","","","1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-3-propylurea","","CCCNC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","ZWXDFKKLKCNOOG-UHFFFAOYSA-N","360499",NA,"PDBC54755","622633","Present"
-"Urea,6-dichloro-1H-benzimidazol-2-yl)-N,N-dimethyl-","","","","","","","","","","","","","","","","","","","","Urea, N'-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-dimethyl-","","CN(C)C(=O)NC1=NC2=CC(=C(C=C2N1)Cl)Cl","CSGVYPZRFHMAMW-UHFFFAOYSA-N","290653",NA,"PDBC54756","154751","Present"
-"Ureidosuccinic acid","","","","","","","","","","","","","","","","","","","","ureidosuccinate","","C(C(C(=O)O)NC(=O)N)C(=O)O","HLKXYZVTANABHZ-UHFFFAOYSA-N","279",NA,"PDBC54757","14983","Present"
-"Uridine 2',3'-acetonide","","","","","","","","","","","","","","","","","","","","Ip-U","","CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)CO)C","GFDUSNQQMOENLR-UHFFFAOYSA-N","351234",NA,"PDBC54758","520038","Present"
-"Uridine triacetate","","","","","","","","","","","","","","","","","","","","NSC788948","","CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C","AUFUWRKPQLGTGF-FMKGYKFTSA-N","20058",NA,"PDBC54759","788948","Present"
-"Uridine, 2'-deoxy-","","","","","","","","","","","","","","","","","","","","deoxyuridine","","C1C(C(OC1N2C=CC(=O)NC2=O)CO)O","MXHRCPNRJAMMIM-UHFFFAOYSA-N","640",NA,"PDBC54760","23615","Present"
-"Uridine, 2'-deoxy-5-fluoro-5'-thio-","","","","","","","","","","","","","","","","","","","","Uridine, 2'-deoxy-5-fluoro-5'-thio-","","C1C(C(OC1N2C=C(C(=O)NC2=O)F)CS)O","PFPJGSFIFKFILK-UHFFFAOYSA-N","253426",NA,"PDBC54761","76351","Present"
-"Uridine, 3',5'-bis(p-nitrobenzoate)","","","","","","","","","","","","","","","","","","","","Uridine, 2'-deoxy-5-(trifluoromethyl)-, 3',5'-bis(p-nitr...","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","MRWCZWASOUTDDT-UHFFFAOYSA-N","260750",NA,"PDBC54762","92423","Present"
-"Uridine, 5-bromo-2'-deoxy-","","","","","","","","","","","","","","","","","","","","brdu","","C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O","WOVKYSAHUYNSMH-UHFFFAOYSA-N","236184",NA,"PDBC54763","38297","Present"
-"Uridine,2,2-trifluoroethoxy)-","","","","","","","","","","","","","","","","","","","","Uridine, 5-(2,2,2-trifluoroethoxy)-","","C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)OCC(F)(F)F","GWJIQGBDLJUUKG-UHFFFAOYSA-N","371636",NA,"PDBC54764","646087","Present"
-"Uridine,3'-dideoxy-5-[(2,2,2-trifluoro-ethoxy)methyl]-","","","","","","","","","","","","","","","","","","","","Uridine, 3'-azido-2',3'-dideoxy-5-[(2,2,2-trifluoro- eth...","","C1C(C(OC1N2C=C(C(=O)NC2=O)COCC(F)(F)F)CO)N=[N+]=[N-]","GQGJQGSYVHQWJI-UHFFFAOYSA-N","6711900",NA,"PDBC54765","646086","Present"
-"Uridine,5-(1-azido-2-chloroethyl)-2'-deoxy-, (R)-(9CI)","","","","","","","","","","","","","","","","","","","","5-(1-Azido-2-chloroethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione","","C1C(C(OC1N2C=C(C(=O)NC2=O)C(CCl)N=[N+]=[N-])CO)O","UCPSBDUPEGUDEU-UHFFFAOYSA-N","374115",NA,"PDBC54766","651423","Present"
-"Urocanic acid","","","","","","","","","","","","","","","","","","","","urocanic acid","","C1=C(NC=N1)C=CC(=O)O","LOIYMIARKYCTBW-OWOJBTEDSA-N","736715",NA,"PDBC54767","66357","Present"
-"Urs-12-ene-1beta,2alpha,3beta,11alpha-tetrol","","","","","","","","","","","","","","","","","","","","1.beta.,2.alpha.,3.beta.,11.alpha.,-Tetrahydroxy-urs-12-ene","","CC1CCC2(CCC3(C(=CC(C4C3(CCC5C4(C(C(C(C5(C)C)O)O)O)C)C)O)C2C1C)C)C","YZTZJWAFBBUUTI-AQQFODMKSA-N","404646",NA,"PDBC54768","721074","Present"
-"Ursa-11,13(18)-dien-28-oic acid-3beta-ol","","","","","","","","","","","","","","","","","","","","Ursa-11,13(18)-dien-28-oic acid-3.beta.-ol","","CC1CCC2(CCC3(C(=C2C1C)C=CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C(=O)O","PXDYNDUVPVYMRV-SOPLDUJUSA-N","378695",NA,"PDBC54769","661747","Present"
-"Ursocholic acid","","","","","","","","","","","","","","","","","","","","Ursocholic acid","","CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","BHQCQFFYRZLCQQ-UIMIOFAZSA-N","376829",NA,"PDBC54770","657947","Present"
-"Usambarensine","","","","","","","","","","","","","","","","","","","","Usambarensine","","CC=C1CN2CCC3=C(C2CC1CC4=C5C(=C6C=CC(=O)C=C6N5)C=CN4)NC7=CC=CC=C37","KQQKDNVPESYGBB-JKCZZUPASA-N","54611444",NA,"PDBC54771","703771","Present"
-"Usnic acid","","","","","","","","","","","","","","","","","","","","l-Usnic acid///D-Usnic acid","","CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O","CUCUKLJLRRAKFN-UHFFFAOYSA-N","5646",NA,"PDBC54772","5889///5890","Present"
-"Uvaretin","","","","","","","","","","","","","","","","","","","","Uvaretin","","COC1=C(C(=C(C(=C1)O)CC2=CC=CC=C2O)O)C(=O)CCC3=CC=CC=C3","LQHGGFQNRNEFIG-UHFFFAOYSA-N","73447",NA,"PDBC54773","241906","Present"
-"Uvidin A","","","","","","","","","","","","","","","","","","","","Uvidin A","","CC1(CCCC2(C1C(=O)C3C(C2CO)(O3)C)C)C","AHPUPUJYVYUVKA-LMCMSHIWSA-N","384882",NA,"PDBC54774","675554","Present"
-"Uyshrhkohclbce-phrmgerwsa-","","","","","","","","","","","","","","","","","","","","(6R,10S,11R)-26.xi.-Hydroxy-13.xi.-oxaspiroirid-16-enal","","CC(=CCCC(=CC=CC(=CC1CC2(C(C(=C(C)C=O)CCC2(C)O)CCCO)C(O1)O)C)C)C","UYSHRHKOHCLBCE-PHRMGERWSA-N","11969877",NA,"PDBC54775","631942","Present"
-"Uzarigenin","","","","","","","","","","","","","","","","","","","","Uzarigenin","","CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O","XZTUSOXSLKTKJQ-UHFFFAOYSA-N","274159",NA,"PDBC54776","277290","Present"
-"Uzarine","","","","","","","","","","","","","","","","","","","","uzarin","","CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O","COIUWGNHAYDCDZ-UHFFFAOYSA-N","348483",NA,"PDBC54777","407809","Present"
-"Uzbspdgymabpmi-uhfffaoysa-","","","","","","","","","","","","","","","","","","","","3-(pyridin-3-yl)6,7-dihydro-5H-imidazo[2,1-c][1,2,4]oxad...","","C1CN2C(ONC2=N1)C3=CN=CC=C3","UZBSPDGYMABPMI-UHFFFAOYSA-N","10856274",NA,"PDBC54778","727197","Present"
-"V-165","","","","","","","","","","","","","","","","","","","","V-165","","C1=CC(=CC=C1C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4)[N+](=O)[O-]","UYLYXNZSRMQYRO-UHFFFAOYSA-N","2921179",NA,"PDBC54779","705851","Present"
-"V0ZFP1IW3G","","","","","","","","","","","","","","","","","","","","V0ZFP1IW3G","","C1=CC(=C(C=C1CCC2=C(C=CC(=C2)O)O)C(=O)O)O","LFWUGCULXWIAOP-UHFFFAOYSA-N","375473",NA,"PDBC54780","655255","Present"
-"VAFGRRONTLPYNN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VAFGRRONTLPYNN-UHFFFAOYSA-N","","C1C(=O)CC1(CNC2=CC(=NC(=N2)N)Cl)CO","VAFGRRONTLPYNN-UHFFFAOYSA-N","385229",NA,"PDBC54781","676342","Present"
-"VALUUHAHPKNNBY-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VALUUHAHPKNNBY-UHFFFAOYSA-N","","C1CCC(CC1)N2C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5C2=O","VALUUHAHPKNNBY-UHFFFAOYSA-N","362866",NA,"PDBC54782","627272","Present"
-"VBY-825","","","","","","","","","","","","","","","","","","","","VBY-825","","CCC(C(=O)C(=O)NC1CC1)NC(=O)C(CS(=O)(=O)CC2CC2)NC(C3=CC=C(C=C3)F)C(F)(F)F","PPUXXDKQNAHHON-BJLQDIEVSA-N","70945511",NA,"PDBC54783","782457","Present"
-"VC30255","","","","","","","","","","","","","","","","","","","","VC30255","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)N)O","JRFMQYYYSBWMED-UHFFFAOYSA-N","260319",NA,"PDBC54784","91408","Present"
-"VCTDOFFTIOQBLD-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VCTDOFFTIOQBLD-UHFFFAOYSA-N","","C1=CC=C(C=C1)N2N=C3C=C(C4=NON=C4C3=N2)Br","VCTDOFFTIOQBLD-UHFFFAOYSA-N","382094",NA,"PDBC54785","669453","Present"
-"VEEWNVLWBJTTEM-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VEEWNVLWBJTTEM-UHFFFAOYSA-N","","CCOC(=O)C1=CN2C3=C(C=CC=C3SC2=N1)C","VEEWNVLWBJTTEM-UHFFFAOYSA-N","394241",NA,"PDBC54786","697570","Present"
-"VFVHZZMEHYNHJD-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VFVHZZMEHYNHJD-UHFFFAOYSA-N","","C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(C(F)(F)F)(C(F)(F)F)NC(=O)C5=CC=CC=C5)F)C(=O)O","VFVHZZMEHYNHJD-UHFFFAOYSA-N","384773",NA,"PDBC54787","675209","Present"
-"VGHQGXLWUQBSQS-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VGHQGXLWUQBSQS-UHFFFAOYSA-N","","C=C(CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","VGHQGXLWUQBSQS-UHFFFAOYSA-N","11612031",NA,"PDBC54788","736098","Present"
-"VGNDLIWXFSMOLL-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VGNDLIWXFSMOLL-UHFFFAOYSA-N","","CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])CCl","VGNDLIWXFSMOLL-UHFFFAOYSA-N","393068",NA,"PDBC54789","694454","Present"
-"VGNDNKIDFQSNDT-UHFFFAOYSA-","","","","","","","","","","","","","","","","","","","","VGNDNKIDFQSNDT-UHFFFAOYSA-","","CCN1C2=C(C=CC(=C2)OC(=O)C)C3=C(C1=O)C4=C(O3)C=CC(=C4)OC(=O)C","VGNDNKIDFQSNDT-UHFFFAOYSA-N","376988",NA,"PDBC54790","658209","Present"
-"VH-298","","","","","","","","","","","","","","","","","","","","VH-298","","CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)C#N)O","NDVQUNZCNAMROD-RZUBCFFCSA-N","122199236",NA,"PDBC54791","798201","Present"
-"VIHJPPUTUITVIQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VIHJPPUTUITVIQ-UHFFFAOYSA-N","","C1C(SC(=N1)NC2=CC(=CC=C2)F)CI","VIHJPPUTUITVIQ-UHFFFAOYSA-N","389120",NA,"PDBC54792","684805","Present"
-"VJGMQUWZFATDFA-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VJGMQUWZFATDFA-UHFFFAOYSA-N","","CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)OCCOC","VJGMQUWZFATDFA-UHFFFAOYSA-N","54679341",NA,"PDBC54793","600088","Present"
-"VMTUPCLFULPHMX-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VMTUPCLFULPHMX-UHFFFAOYSA-N","","CCOC(=O)C1=CN2C3=C(C=C(C=C3)Cl)SC2=N1","VMTUPCLFULPHMX-UHFFFAOYSA-N","396584",NA,"PDBC54794","703092","Present"
-"VRBJCJNVLXEKKP-MDZDMXLPSA-N","","","","","","","","","","","","","","","","","","","","VRBJCJNVLXEKKP-MDZDMXLPSA-N","","COC1=CC=CC(=C1)C=CC(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl","VRBJCJNVLXEKKP-MDZDMXLPSA-N","5470144",NA,"PDBC54795","698104","Present"
-"VT-464 R enantiomer","","","","","","","","","","","","","","","","","","","","CS-3140","","CC(C)C(C1=CC2=CC(=C(C=C2C=C1)OC(F)F)OC(F)F)(C3=NNN=C3)O","ZBRAJOQFSNYJMF-GOSISDBHSA-N","78357817",NA,"PDBC54796","783295","Present"
-"VU0419410-1","","","","","","","","","","","","","","","","","","","","VU0419410-1","","CC(C)(C)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(C)(C)C)CN(C)C)CN(C)C","YINMDCORDMOYEF-UHFFFAOYSA-N","420848",NA,"PDBC54797","128164","Present"
-"VU0500347-1","","","","","","","","","","","","","","","","","","","","VU0500347-1","","CC1=CC(=C(C(=O)N1)C(C2=CN=CC=C2)C3=C(C=C(NC3=O)C)O)O","YIBYJPCQCUYFKU-UHFFFAOYSA-N","54685308",NA,"PDBC54798","311434","Present"
-"VU0549354-1","","","","","","","","","","","","","","","","","","","","VU0549354-1","","CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)OC)C","NKJFOHRGILPPLK-UHFFFAOYSA-N","3005159",NA,"PDBC54799","678050","Present"
-"VU0644940-1","","","","","","","","","","","","","","","","","","","","VU0644940-1","","CC12CC(C(C(=O)N1)C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4O2","FCBIKCZIAHKSLY-UHFFFAOYSA-N","399142",NA,"PDBC54800","709561","Present"
-"VX-322","","","","","","","","","","","","","","","","","","","","VX-322","","C1CC(CCC1C2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC=CC=N4)N5CCOCC5","OYUDNKFIGXAIRZ-UHFFFAOYSA-N","11604142",NA,"PDBC54801","771651","Present"
-"VX-984 free base","","","","","","","","","","","","","","","","","","","","VX-984","","CC1=NC=C(C=N1)C2=CC(=NC=N2)NCC(C)C3=CC=CC4=C(C=CN=C43)C(=O)NC","PEACIOGDEQRHFA-KIYKJNLWSA-N","72188357",NA,"PDBC54802","792969","Present"
-"VZICMLNXQIYWKT-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","VZICMLNXQIYWKT-UHFFFAOYSA-N","","CC(C)CC(=O)NC(C(F)(F)F)(C(F)(F)F)NC(C)C","VZICMLNXQIYWKT-UHFFFAOYSA-N","389153",NA,"PDBC54803","684837","Present"
-"Vadimezan","","","","","","","","","","","","","","","","","","","","Vadimezan","","CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)C","XGOYIMQSIKSOBS-UHFFFAOYSA-N","123964",NA,"PDBC54804","828317","Present"
-"Vagenine A","","","","","","","","","","","","","","","","","","","","Vagenine A","","CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4OC(=O)C)NC(=O)C=C(C)C)C)C)N(C)C","MTGALPCIDMQJOU-HUUORZJUSA-N","54613350",NA,"PDBC54805","748912","Present"
-"Valemetostat","","","","","","","","","","","","","","","","","","","","valemetostat","","CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)OC(O3)(C)C4CCC(CC4)N(C)C)Cl)C","SSDRNUPMYCFXGM-ZZHSESOFSA-N","126481870",NA,"PDBC54806","813381","Present"
-"Valproic acid (combination with Azacitidine/Decitabine)","","","","","","","","","","","","","","","","","","Valproic acid (combination with Azacitidine/Decitabine)","","","","","","",NA,"PDBC54807","","Absent"
-"Vanadate (VO43-), (T-4)-","","","","","","","","","","","","","","","","","","","","NSC79534","","[O-][V](=O)([O-])[O-].[Na+]","ZINPFSNSSMRHNS-UHFFFAOYSA-N","54602367",NA,"PDBC54808","79534","Present"
-"Vancide 26","","","","","","","","","","","","","","","","","","","","vancide 26","","CCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC2=C(C=C1Cl)N=C(S2)[S-]","NPUUGQIQOUWACG-UHFFFAOYSA-M","79411",NA,"PDBC54809","5337","Present"
-"Vanillin","","","","","","","","","","","","","","","","","","","","Vanillin","","COC1=C(C=CC(=C1)C=O)O","MWOOGOJBHIARFG-UHFFFAOYSA-N","1183",NA,"PDBC54810","15351","Present"
-"Varacin trifluoroacetate salt","","","","","","","","","","","","","","","","","","","","Varacin trifluoroacetate salt","","COC1=C(C2=C(C(=C1)CCN)SSSSS2)OC.C(=O)(C(F)(F)F)O","CRUVPMFSXZVGCK-UHFFFAOYSA-N","54611558",NA,"PDBC54811","722218","Present"
-"Vardenafil","","","","","","","","","","","","","","","","","","","Vardenafil","","","CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C","SECKRCOLJRRGGV-UHFFFAOYSA-N","135400189",NA,"PDBC54812","","Absent"
-"Variamitsin","","","","","","","","","","","","","","","","","","","","NSC269146","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O","NKGFIFLSQXHQOK-QGZUPYPISA-N","5458528",NA,"PDBC54813","269146","Present"
-"Vat blue 6","","","","","","","","","","","","","","","","","","","","blue k","","C1=CC=C2C(=C1)C(=O)C3=CC(=C4C(=C3C2=O)NC5=C(C=C6C(=C5N4)C(=O)C7=CC=CC=C7C6=O)Cl)Cl","UGCDBQWJXSAYIL-UHFFFAOYSA-N","8532",NA,"PDBC54814","74700","Present"
-"Vecabrutinib","","","","","","","","","","","","","","","","","","","","Vecabrutinib","","C1CC(C(=O)N(C1)C2CN(CCC2C(=O)N)C3=NC=NC(=C3F)N)NC4=CC(=CC(=C4)C(F)(F)F)Cl","QLRRJMOBVVGXEJ-XHSDSOJGSA-N","72547837",NA,"PDBC54815","810114","Present"
-"Vectrin","","","","","","","","","","","","","","","","","","","","NSC141993","","CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.Cl","WTJXVDPDEQKTCV-UHFFFAOYSA-N","54706380",NA,"PDBC54816","141993","Present"
-"Vedelianin","","","","","","","","","","","","","","","","","","","","Vedelianin","","CC(=CCC1=C(C=C(C=C1O)C=CC2=CC3=C(C(=C2)O)OC4(CC(C(C(C4C3)(C)C)O)O)C)O)C","OYMAGMAEFPAAGU-HKYLTJPLSA-N","643539",NA,"PDBC54817","720065","Present"
-"Vengicide","","","","","","","","","","","","","","","","","","","","NSC63701///NSC99843","","C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N","XOKJUSAYZUAMGJ-UHFFFAOYSA-N","247955",NA,"PDBC54818","63701///99843","Present"
-"Veprisine","","","","","","","","","","","","","","","","","","","","Veprisine","","CC1(C=CC2=C(O1)C3=C(C(=C(C=C3)OC)OC)N(C2=O)C)C","DWZSQRJGZJNUEK-UHFFFAOYSA-N","338941",NA,"PDBC54819","363785","Present"
-"Verabiscoquinazole","","","","","","","","","","","","","","","","","","","","Verabiscoquinazole","","COC1=C(C=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC","UOLOZKGRSLKSSH-UHFFFAOYSA-N","353473",NA,"PDBC54820","601854","Present"
-"Veracoquinazole","","","","","","","","","","","","","","","","","","","","Veracoquinazole","","COC1=C(C=C2C(=C1)C(=O)NC(=N2)NC(=O)OC)OC","NGRITRRTJXMHLZ-UHFFFAOYSA-N","135416663",NA,"PDBC54821","601852","Present"
-"Verapamil hydrochloride","","","","","","","","","","","","","","","","","","","","verapamil hydrochloride","","CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl","DOQPXTMNIUCOSY-UHFFFAOYSA-N","62969",NA,"PDBC54822","657799","Present"
-"Veratraldehyde, (5-nitro-2-pyridyl)hydrazone","","","","","","","","","","","","","","","","","","","","LS-162021","","COC1=C(C=C(C=C1)C=NNC2=NC=C(C=C2)[N+](=O)[O-])OC","MRQJAFVCQWRYMV-PXNMLYILSA-N","6058184",NA,"PDBC54823","52429","Present"
-"Veratramine","","","","","","","","","","","","","","","","","","","","VERATRAMINE","","CC1CC(C(NC1)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)O)C)O","MALFODICFSIXPO-KFKQDBFTSA-N","6070",NA,"PDBC54824","23880","Present"
-"Vermeerin","","","","","","","","","","","","","","","","","","","","Vermeerin","","CC1CC2C(CC3(C1CC(=O)OC3)C)C(=C)C(=O)O2","GKYRUDQNQRLJRF-XGOSFXCESA-N","10400578",NA,"PDBC54825","136718","Present"
-"Vermiculine","","","","","","","","","","","","","","","","","","","","Vermiculin","","CC(=O)CC1CCC(=O)C=CC(=O)OC(CCC(=O)C=CC(=O)O1)CC(=O)C","CFDVIOQSLRJWSU-NXZHAISVSA-N","5467645",NA,"PDBC54826","657321","Present"
-"Vermilutin","","","","","","","","","","","","","","","","","","","","Vermilutin","","CC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)C=CC(C)C)C=O","SYYAOFKGRFPPSI-SNAWJCMRSA-N","5467486",NA,"PDBC54827","653280","Present"
-"Vermistatin","","","","","","","","","","","","","","","","","","","","Vermistatin","","CC=CC1=CC(=O)C(=CO1)C2C3=C(C=C(C=C3OC)OC)C(=O)O2","YORFGPDHNOBVBM-BDUNBXCCSA-N","5467588",NA,"PDBC54828","656107","Present"
-"Vermixocin B","","","","","","","","","","","","","","","","","","","","Vermixocin B","","CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C(CC(C)C)OC(=O)C)OC)C(=O)OC2","NUYFKDBCHFKOBT-UHFFFAOYSA-N","131673",NA,"PDBC54829","658785","Present"
-"Vernolide","","","","","","","","","","","","","","","","","","","","Vernolide","","CC(=C)C(=O)OC1CC23C(O2)CCC(=CC4C1C(=C)C(=O)O4)COC3O","ZGXVZQZFVYSUDU-UMXQHGKLSA-N","5381813",NA,"PDBC54830","124460","Present"
-"Verproside","","","","","","","","","","","","","","","","","","","","Verproside","","C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O","DBUOUVZMYWYRRI-QCOCFSRUSA-N","11969972",NA,"PDBC54831","645271","Present"
-"Verrucarin A, (8R)-","","","","","","","","","","","","","","","","","","","","8b-hydroxyroridin a","","CC1CCOC(C=CC=CC(=O)OC2CC3C4(C2(C5(CC(C(=CC5O3)C)O)COC(=O)C1O)C)CO4)C(C)O","GVZIONLFUHXCGG-KQQUZDAGSA-N","5476868",NA,"PDBC54832","328167","Present"
-"Verrucarin A,10-epoxide","","","","","","","","","","","","","","","","","","","","Verrucarin A 9,10-epoxide","","CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C1O)C)CO4","CLNDGDZYSDRNSO-JSGIOEDPSA-N","54607317",NA,"PDBC54833","283445","Present"
-"Verrucarin A,8-dihydroxy-7'-(1-hydroxyethyl)-","","","","","","","","","","","","","","","","","","","","NSC269753","","CC1CC(=O)OCC23CC(C(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1O)C(C)O)C)O","PYYBXMVTBWYBDY-QOOAFILCSA-N","5352030",NA,"PDBC54834","269753","Present"
-"Verrucarin E","","","","","","","","","","","","","","","","","","","","4-Acetyl-3-hydroxymethylpyrrole","","CC(=O)C1=CNC=C1CO","ZCTFIKLDSSVBAL-UHFFFAOYSA-N","100243",NA,"PDBC54835","270675","Present"
-"Versimide","","","","","","","","","","","","","","","","","","","","Versimide","","CC1CC(=O)N(C1=O)C(=C)C(=O)OC","KHFBUINXBGUEQW-UHFFFAOYSA-N","301117",NA,"PDBC54836","177377","Present"
-"Vertex ATR inhibitor Cpd 45","","","","","","","","","","","","","","","","","","","","Vertex ATR inhibitor Cpd 45","","CC(CN(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N","GNEFGLFGNKFHAR-UHFFFAOYSA-N","52915004",NA,"PDBC54837","761693","Present"
-"Vicenistatine","","","","","","","","","","","","","","","","","","","","vicenistatin","","CC1CCC=CC=C(CC(=CCC(C(C=CC=CC(=O)NC1)C)OC2CC(C(C(O2)C)NC)O)C)C","FINGADBUNZWVLV-WRGVACNMSA-N","5466718",NA,"PDBC54838","641691","Present"
-"Victoria Blue R","","","","","","","","","","","","","","","","","","","","basic blue k","","CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C14.[Cl-]","JEVGKYBUANQAKG-UHFFFAOYSA-N","16599",NA,"PDBC54839","11240","Present"
-"Vilangin","","","","","","","","","","","","","","","","","","","","Vilangin","","CCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)O)CC2=C(C(=O)C(=C(C2=O)O)CCCCCCCCCCC)O)O","SSBANIVTGNXXSJ-UHFFFAOYSA-N","417182",NA,"PDBC54840","87413","Present"
-"Vimseltinib","","","","","","","","","","","","","","","","","","","","DCC-3014","","CC1=C(C=CC(=N1)C2=CN=C(N(C2=O)C)NC(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C","TVGAHWWPABTBCX-UHFFFAOYSA-N","86267612",NA,"PDBC54841","828316","Present"
-"Vinca","","","","","","","","","","","","","","","","","","","","vinca","","CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O","RXPRRQLKFXBCSJ-UHFFFAOYSA-N","5668",NA,"PDBC54842","91998","Present"
-"Vincaleukoblastine,sulfate(1:1)","","","","","","","","","","","","","","","","","","","","NSC757384","","CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O","KDQAABAKXDWYSZ-FCIBFBFCSA-N","9962911",NA,"PDBC54843","757384","Present"
-"Vincarubine","","","","","","","","","","","","","","","","","","","","Vincarubine","","CCC12CCCN3C1C4(CC3)C5=C(C=C(C(=C5)C6=CC7=NC89CCC1C(C8(C7=CC6=O)CCN9CC1=CC)C(=O)OC)OC)N(C4=C(C2)C(=O)OC)C","CLSRDWBICGYSOB-VAPIAZESSA-N","5467644",NA,"PDBC54844","657320","Present"
-"Vindoline","","","","","","","","","","","","","","","","","","","","Vindolin","","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C","CXBGOBGJHGGWIE-ACSXSLCXSA-N","260535",NA,"PDBC54845","91994","Present"
-"Vindolinine, hydrochloride","","","","","","","","","","","","","","","","","","","","Vindolinine, hydrochloride","","CC1C2CN3CC=CC14C3C25C(C(C4)C(=O)OC)NC6=CC=CC=C56.Cl","NLXUZHWMDFTHOU-UHFFFAOYSA-N","24190768",NA,"PDBC54846","114348","Present"
-"Vinleurosine sulfate","","","","","","","","","","","","","","","","","","","","leurosine sulfate///NSC90636","","CCC12CN3CCC4=C(C(CC(C3)C1O2)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41.OS(=O)(=O)O","OREMAKNOJRHDJT-SQUPYDECSA-N","5459329",NA,"PDBC54847","528004///90636","Present"
-"Violacene-1","","","","","","","","","","","","","","","","","","","","Violacene-1","","CC1(CC(C(CC1Cl)Cl)(C)C=CCl)CBr","VDVCNFRFKYYHRW-NRSUCWCISA-N","11969767",NA,"PDBC54848","622150","Present"
-"Violaceol i","","","","","","","","","","","","","","","","","","","","Ethericin A","","CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2O)O)C)O)O","YRZXKRQRZJMBFT-UHFFFAOYSA-N","100615",NA,"PDBC54849","330927","Present"
-"Violamycin B","","","","","","","","","","","","","","","","","","","","Violamycin B","","","","",NA,"PDBC54850","227185","Present"
-"Violastyrene","","","","","","","","","","","","","","","","","","","","VIOLASTYRENE","","COC1=CC(=C(C=C1CC=CC2=CC=CC=C2)OC)O","MGFYJNMOZGSGMU-RMKNXTFCSA-N","5458526",NA,"PDBC54851","269122","Present"
-"Vioxanthin","","","","","","","","","","","","","","","","","","","","Vioxanthin","","CC1CC2=C(C(=C3C(=C2)C=C(C(=C3O)C4=C(C5=C(C6=C(CC(OC6=O)C)C=C5C=C4OC)O)O)OC)O)C(=O)O1","CJKYODJTBJDEJI-VXGBXAGGSA-N","119072",NA,"PDBC54852","729023","Present"
-"Virescenoside A","","","","","","","","","","","","","","","","","","","","Virescenoside A","","CC1(CCC2C(=CCC3C2(CC(C(C3(C)COC4C(C(C(C(O4)CO)O)O)O)O)O)C)C1)C=C","FCXXKIPOXPDQAP-UHFFFAOYSA-N","280574",NA,"PDBC54853","132339","Present"
-"Virescenoside F & G mixture, NA salt","","","","","","","","","","","","","","","","","","","","virescenoside f & g mixture, na salt","","CC1(CCC2C(=CCC3C2(CCC(C3(C)COC4C(C(C(C(O4)C(=O)O)O)O)O)O)C)C1)C=C.CC1(CCC2C(=CCC3C2(CC(C(C3(C)COC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)C)C1)C=C","DMQXWVVAQDWPPV-UHFFFAOYSA-N","431970",NA,"PDBC54854","301493","Present"
-"Virginiamycin S1","","","","","","","","","","","","","","","","","","","","staphylomycin s","","CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C","FEPMHVLSLDOMQC-UHFFFAOYSA-N","122731",NA,"PDBC54855","177858","Present"
-"Viridenomycin","","","","","","","","","","","","","","","","","","","","Viridenomycin","","CC1=CC=CC=CC=CCC(NC(=O)C=CC=CC=CC=CC2(C(C(C(=C2C(=O)O1)O)OC)O)C)C3=CC=CC=C3","GWYPHKYSRIAIBU-SZDRKWEPSA-N","54686230",NA,"PDBC54856","648060","Present"
-"Viridicatumtoxin","","","","","","","","","","","","","","","","","","","","viriditoxin","","CC1=CCCC(C12CC3=C4C2=C(C=C(C4=C(C5=C3C(C6(CC(=O)C(=C(C6(C5=O)O)O)C(=O)N)O)O)O)O)OC)(C)C","FNSQKFOXORBCCC-WBWZXODPSA-N","54686377",NA,"PDBC54857","159628","Present"
-"Virosecurinine","","","","","","","","","","","","","","","","","","","","Securinin///Virosecurinine///Allosecurinin","","C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4","SWZMSZQQJRKFBP-UHFFFAOYSA-N","267769",NA,"PDBC54858","107413///107414///107415","Present"
-"Viscosin","","","","","","","","","","","","","","","","","","","","Viscosin","","CCCCCCCC(CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)CC(C)C)CO)CC(C)C)CO)C(C)CC)C)O","QYEWAEAWMXRMHB-ANOZCLFLSA-N","6711494",NA,"PDBC54859","628866","Present"
-"Visoltricin","","","","","","","","","","","","","","","","","","","","Visoltricin","","CC(=CCC1=C(N(C=N1)C)C=CC(=O)OC)C","LFPQYOYKAPGCGM-BQYQJAHWSA-N","5388713",NA,"PDBC54860","638260","Present"
-"Vitilevuamide","","","","","","","","","","","","","","","","","","","","L-Serine, N-(3-carboxy-1-oxopropyl)cysteinyl-D-phenylala...","","CCC(C)CC1C(=O)NC2C(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C(=C)NC(=O)C(NC(=O)C(CSCC(C(=O)NC(C(=O)NC(C(=O)N1)C)CC3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)C4CCCN4C(=O)C(NC2=O)CC5=CC=CC=C5)C(C)CC)CC(C)CC)C(C)C)C)C(COC)O)CO)C","UFOVYHGILLJGLP-UHFFFAOYSA-N","16135684",NA,"PDBC54861","800698","Present"
-"Voacanginyl 3,4-dimethoxybenzoate","","","","","","","","","","","","","","","","","","","","VOACANGINYL 3,4-DIMETHOXYBENZOATE","","CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)COC(=O)C6=CC(=C(C=C6)OC)OC","VWFYUUBLQUOKET-NARBZXIWSA-N","323475",NA,"PDBC54862","283831","Present"
-"Vorasidenib","","","","","","","","","","","","","","","","","","","","AG-881","","CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)F","QCZAWDGAVJMPTA-RNFRBKRXSA-N","117817422",NA,"PDBC54863","803600","Present"
-"Voruciclib","","","","","","","","","","","","","","","","","","","","P-1446","","CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C(F)(F)F)Cl)O)O","MRPGRAKIAJJGMM-OCCSQVGLSA-N","67409219",NA,"PDBC54864","784284","Present"
-"W-205955","","","","","","","","","","","","","","","","","","","","W-205955","","CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCO","FNCJHHFYZDSIAK-UHFFFAOYSA-N","373492",NA,"PDBC54865","649899","Present"
-"W-2880","","","","","","","","","","","","","","","","","","","","W-2880","","CN1C(=O)C2=C(NC3=CC=CC=C32)NC1=O","HEEARGJAHYXFPS-UHFFFAOYSA-N","387239",NA,"PDBC54866","680814","Present"
-"WCISMKQERHOLSW-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","WCISMKQERHOLSW-UHFFFAOYSA-N","","CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)Br","WCISMKQERHOLSW-UHFFFAOYSA-N","387949",NA,"PDBC54867","682302","Present"
-"WDO527BMU2","","","","","","","","","","","","","","","","","","","","WDO527BMU2","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=CNC=C3C(=O)OCC4=CC=CC=C4","QKVKUVRBAUWJGI-UHFFFAOYSA-N","386819",NA,"PDBC54868","679527","Present"
-"WDWFTRKUESNIEQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","WDWFTRKUESNIEQ-UHFFFAOYSA-N","","CC(=O)OCCOCN1C=NC2=C1N=C(N=C2Cl)Cl","WDWFTRKUESNIEQ-UHFFFAOYSA-N","387666",NA,"PDBC54869","681692","Present"
-"WEHI-150","","","","","","","","","","","","","","","","","","","","WEHI-150","","C1=CC(=C2C(=C1NCCNCCN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCN","RFRJYMDNFSFUMR-UHFFFAOYSA-N","438708",NA,"PDBC54870","660224","Present"
-"WEQZEPJNZZNZTG-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","WEQZEPJNZZNZTG-UHFFFAOYSA-N","","CCC1(C(=O)NC(=O)N(C1=O)C(C)C)NC(=O)C2=CC(=C(C(=C2F)F)F)F","WEQZEPJNZZNZTG-UHFFFAOYSA-N","24765568",NA,"PDBC54871","748723","Present"
-"WFKJZQQXVCQTGQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","WFKJZQQXVCQTGQ-UHFFFAOYSA-N","","C1=CC(=C(C=C1C(=O)N2C3=C(C=C(C=C3)Cl)C(=O)C2=O)Cl)Cl","WFKJZQQXVCQTGQ-UHFFFAOYSA-N","362454",NA,"PDBC54872","626401","Present"
-"WGD1TVN7IQ","","","","","","","","","","","","","","","","","","","","WGD1TVN7IQ","","CCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","FZJXJUPQVOAASE-UHFFFAOYSA-N","333618",NA,"PDBC54873","336043","Present"
-"WGEDKBYCFLUIEM-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","WGEDKBYCFLUIEM-UHFFFAOYSA-N","","CC1CN2C3=CC=CC=C3N=C2NC1=O","WGEDKBYCFLUIEM-UHFFFAOYSA-N","388455",NA,"PDBC54874","683385","Present"
-"WLN: L7VJ BOVR DNW& CI","","","","","","","","","","","","","","","","","","","","WLN: L7VJ BOVR DNW& CI","","C1=CC(=C(C(=O)C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I","IDYYUTZSVVKPAW-UHFFFAOYSA-N","18074",NA,"PDBC54875","85776","Present"
-"WLN: QXR&R&Y1&N1&1 &GH","","","","","","","","","","","","","","","","","","","","WLN: QXR&R&Y1&N1&1 &GH","","CC(CN(C)C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl","YWAGQZNXGUHOSX-UHFFFAOYSA-N","110987",NA,"PDBC54876","403225","Present"
-"WLN: T56 A BN ENTJ A- DT6NJ","","","","","","","","","","","","","","","","","","","","WLN: T56 A BN ENTJ A- DT6NJ","","C1CN2CCN(C1)C2C3=CC=NC=C3","JIKHJTHQLORZIX-UHFFFAOYSA-N","96625",NA,"PDBC54877","82339","Present"
-"WLN: T5N CN AUTJ B11 C1YQ1 E1 E1","","","","","","","","","","","","","","","","","","","","WLN: T5N CN AUTJ B11 C1YQ1 E1 E1","","CCCCCCCCCCCC1=NC(CN1CC(C)O)(C)C","IXDCGKCZHSLDOF-UHFFFAOYSA-N","52893",NA,"PDBC54878","17757","Present"
-"WLN: T5NYVOJ BU1R CF& ER","","","","","","","","","","","","","","","","","","","","WLN: T5NYVOJ BU1R CF& ER","","C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)F)C(=O)O2","LEYZNNGXVVKDGN-UVTDQMKNSA-N","1550108",NA,"PDBC54879","74502","Present"
-"WLN: T5NYVOJ BU1R DF& ER","","","","","","","","","","","","","","","","","","","","WLN: T5NYVOJ BU1R DF& ER","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)F)C(=O)O2","GGMAOSAZKMNBHB-UVTDQMKNSA-N","1550110",NA,"PDBC54880","74503","Present"
-"WP-1034","","","","","","","","","","","","","","","","","","","","WP-1034","","CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C#N","RYYNDHCHTCVQJH-KWWJGWKXSA-N","1525283",NA,"PDBC54881","755981","Present"
-"WQRXDRGZIIXKAK-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","WQRXDRGZIIXKAK-UHFFFAOYSA-N","","C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4","WQRXDRGZIIXKAK-UHFFFAOYSA-N","363110",NA,"PDBC54882","627679","Present"
-"WR 30090","","","","","","","","","","","","","","","","","","","","WR 30090","","CCCCN(CCCC)CC(C1=CC(=NC2=C1C=C(C=C2Cl)Cl)C3=CC(=C(C=C3)Cl)Cl)O","PGLJCSZNFGDTFZ-UHFFFAOYSA-N","31755",NA,"PDBC54883","112365","Present"
-"WR-183489","","","","","","","","","","","","","","","","","","","","WR-183489","","CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)SC3=CC=C(C=C3)Cl)OC","ASBAZZCYURIEJD-UHFFFAOYSA-N","328151",NA,"PDBC54884","305813","Present"
-"WTXODEBLBZCEAI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","WTXODEBLBZCEAI-UHFFFAOYSA-N","","CC1=CC(=O)NP(=O)(N1)C23CC4CC(C2)CC(C4)C3","WTXODEBLBZCEAI-UHFFFAOYSA-N","373123",NA,"PDBC54885","649065","Present"
-"WUWDHQPLLZPRAK-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","WUWDHQPLLZPRAK-UHFFFAOYSA-N","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C=C(C=C1)F)F","WUWDHQPLLZPRAK-UHFFFAOYSA-N","383672",NA,"PDBC54886","672090","Present"
-"WYERJSRLPNCVAM-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","WYERJSRLPNCVAM-UHFFFAOYSA-N","","CC1=CC2=C(C(=N1)N)C(=NNC2=O)N","WYERJSRLPNCVAM-UHFFFAOYSA-N","394331",NA,"PDBC54887","697700","Present"
-"Waol A FD-211","","","","","","","","","","","","","","","","","","","","Waol A FD-211","","CC=CC1C(C=C2C(O1)C(OC2=O)C=CC)O","QXZDESIVIREXNJ-XQJSVKFYSA-N","10354084",NA,"PDBC54888","726144","Present"
-"Water extract from Clivia Miniata Regel","","","","","","","","","","","","","","","","","","","","Water extract from Clivia Miniata Regel","","","","",NA,"PDBC54889","646113","Present"
-"Wedeloside","","","","","","","","","","","","","","","","","","","","Wedeloside","","CC(C)CC(=O)NC1C(C(C(OC1OC2CC3(C4CCC5(CC4(CCC3C(C2)(C(=O)O)C(=O)O)C(C5=C)O)O)C)CO)O)OC(=O)CCC6=CC=CC=C6","KORXNOWCVVACSW-UHFFFAOYSA-N","156818",NA,"PDBC54890","345715","Present"
-"Weltonin","","","","","","","","","","","","","","","","","","","","Weltonin","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1","OLAMGHNQGZIWHZ-IIOIRYIBSA-N","401302",NA,"PDBC54891","714608","Present"
-"Wikstroemia sp. I","","","","","","","","","","","","","","","","","","","","huratoxin","","CCCCCCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(CC3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO","VWGORPXMXKBHER-HMMFFQBYSA-N","54601909",NA,"PDBC54892","266186","Present"
-"Wilfoside C1N","","","","","","","","","","","","","","","","","","","","Wilfoside C1N","","CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C=C(C)C(C)C)C)C)C)C)OC)O","YUDOHRCAEPBFBO-JBSPSKQRSA-N","5469231",NA,"PDBC54893","684429","Present"
-"Wilfoside K1N","","","","","","","","","","","","","","","","","","","","Wilfoside K1N","","CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C=CC9=CC=CC=C9)C)C)C)C)OC)O","WXYGKQHQSYONAN-NVRSCGFLSA-N","5469232",NA,"PDBC54894","684431","Present"
-"Wilfoside M1N","","","","","","","","","","","","","","","","","","","","Wilfoside M1N","","CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)O)C)C)C)C)OC)O","QRIXVSZPQJPPAL-RWHVKYMSSA-N","388998",NA,"PDBC54895","684430","Present"
-"Withacnistin","","","","","","","","","","","","","","","","","","","","WITHACNISTIN","","CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)COC(=O)C)C","ZQEYWCXMRUYTGT-ODBZFNPSSA-N","54606507",NA,"PDBC54896","135073","Present"
-"Withafastuosin D diacetate","","","","","","","","","","","","","","","","","","","","Withafastuosin D diacetate","","CC1=C(C(=O)OC(C1)C(COC(=O)C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6)C)O5)C)COC(=O)C","GYBJOJPNTGACJD-VGNPPRNCSA-N","388300",NA,"PDBC54897","682990","Present"
-"Withafastuosin E","","","","","","","","","","","","","","","","","","","","Withafastuosin E","","CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)CO","UCOUIXCKSZUAKU-UGEBWOCTSA-N","387980",NA,"PDBC54898","682346","Present"
-"Withaferin-A diacetate","","","","","","","","","","","","","","","","","","","","Withaferin-A diacetate","","CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6OC(=O)C)C)O5)C)COC(=O)C","KKWMXUXYPBDQQX-UHFFFAOYSA-N","433361",NA,"PDBC54899","328416","Present"
-"Withanolide E","","","","","","","","","","","","","","","","","","","","withanolide e","","CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6)C)O5)C)O)O)O)C","RUVPNJSJTWTANE-LFCBYZEKSA-N","301751",NA,"PDBC54900","179834","Present"
-"Withaperuvin","","","","","","","","","","","","","","","","","","","","Withaperuvin","","CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)O)C)O)O)O)C","XLUKITCTLVOOAW-VQDSAXESSA-N","333470",NA,"PDBC54901","334387","Present"
-"Wln: GA N-O3*3","","","","","","","","","","","","","","","","","","","","gallium nitrate","","[N+](=O)(O)[O-].[Ga]","IKSPZYAETVSSHT-UHFFFAOYSA-N","6711183",NA,"PDBC54902","15200","Present"
-"Wln: L66J byum&N7&7 EO1 &GH","","","","","","","","","","","","","","","","","","","","N,N-Diheptyl-4-methoxy-1-naphthamidine hydrochloride","","CCCCCCCN(CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OC","WHBCJCZYRNOBLR-UHFFFAOYSA-N","19548",NA,"PDBC54903","24112","Present"
-"Wnt Agonist","","","","","","","","","","","","","","","","","","","","2-Amino-4-(3,4-(methylenedioxy)benzylamino)-6-(3-methoxy...","","COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)NCC3=CC4=C(C=C3)OCO4","FABQUVYDAXWUQP-UHFFFAOYSA-N","11210285",NA,"PDBC54904","762367","Present"
-"Wogonin","","","","","","","","","","","","","","","","","","","","Wogonin","","COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O","XLTFNNCXVBYBSX-UHFFFAOYSA-N","5281703",NA,"PDBC54905","717845","Present"
-"Woodhousin","","","","","","","","","","","","","","","","","","","","Woodhousin","","CC1=CC2C(C(CC3(CC(C1(O3)O)OC(=O)C)C)OC(=O)C(C)C)C(=C)C(=O)O2","FFEWGNMVSRKASV-XFFZJAGNSA-N","5477469",NA,"PDBC54906","322918","Present"
-"Wrxzbsciosrifv-alcczggfsa-","","","","","","","","","","","","","","","","","","","","NSC647919","","CN(C)C1=C(C(=O)C(=CC=O)C1(OC)OC)Cl","WRXZBSCIOSRIFV-ALCCZGGFSA-N","5467179",NA,"PDBC54907","647919","Present"
-"XBTQMVNOVUGQPW-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","XBTQMVNOVUGQPW-UHFFFAOYSA-N","","CC1=CC=C(C=C1)C2=NNC(=O)N2N","XBTQMVNOVUGQPW-UHFFFAOYSA-N","384493",NA,"PDBC54908","674326","Present"
-"XK-469 free acid, (R)-","","","","","","","","","","","","","","","","","","","","NSC698215","","CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl","NUQZXROIVGBRGR-SNVBAGLBSA-N","3246729",NA,"PDBC54909","698215","Present"
-"XKXFKLBJKBIKAH-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","XKXFKLBJKBIKAH-UHFFFAOYSA-N","","C1C(=CC(=O)N1CC(=O)N)C2=C(CN(C2=O)CC(=O)N)O","XKXFKLBJKBIKAH-UHFFFAOYSA-N","54680446",NA,"PDBC54910","679192","Present"
-"XL-019","","","","","","","","","","","","","","","","","","","","XL-019","","C1CC(NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCOCC5","ISOCDPQFIXDIMS-UHFFFAOYSA-N","57990770",NA,"PDBC54911","772887","Present"
-"XL-228","","","","","","","","","","","","","","","","","","","","EXEL-2280///XL-228","","CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5","ALKJNCZNEOTEMP-UHFFFAOYSA-N","59757974",NA,"PDBC54912","778366///800970","Present"
-"XL-541","","","","","","","","","","","","","","","","","","","","XL-541","","C1C(CN(C1C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)F)C(=O)CN4C=CN=N4)CC5=CC=C(C=C5)F","YVPVVMYVUCYNPA-IBVKSMDESA-N","45377018",NA,"PDBC54913","768011","Present"
-"XNFWIOGJYCWFBP-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","XNFWIOGJYCWFBP-UHFFFAOYSA-N","","C(CNCC(CO)O)N","XNFWIOGJYCWFBP-UHFFFAOYSA-N","334402",NA,"PDBC54914","339497","Present"
-"XNIVBTJMWLISEX-DJKKODMXSA-N","","","","","","","","","","","","","","","","","","","","XNIVBTJMWLISEX-DJKKODMXSA-N","","C1=COC(=C1)C=NN2C(=C(C(=C2N)C#N)C#N)C3=CC=CO3","XNIVBTJMWLISEX-DJKKODMXSA-N","9571538",NA,"PDBC54915","681776","Present"
-"XNVUOPFLRRDEEI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","XNVUOPFLRRDEEI-UHFFFAOYSA-N","","C1CCN(CC1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O","XNVUOPFLRRDEEI-UHFFFAOYSA-N","379546",NA,"PDBC54916","664222","Present"
-"XPIWZDDRQLUQTO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","XPIWZDDRQLUQTO-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C(=O)OC(=N2)C(C(F)(F)F)C(F)(F)F","XPIWZDDRQLUQTO-UHFFFAOYSA-N","389169",NA,"PDBC54917","684853","Present"
-"XQGIQRRAXOJYFS-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","XQGIQRRAXOJYFS-UHFFFAOYSA-N","","C1CC1C(=O)NC2=C3C(=C(C=C2)NC(=O)C4CC4)C(=O)C5=CC=CC=C5C3=O","XQGIQRRAXOJYFS-UHFFFAOYSA-N","384117",NA,"PDBC54918","673346","Present"
-"XQINRAAUAQUQAC-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","XQINRAAUAQUQAC-UHFFFAOYSA-N","","CC1CC(=NC2=CC=CC=C2N1)N","XQINRAAUAQUQAC-UHFFFAOYSA-N","397526",NA,"PDBC54919","705835","Present"
-"XQRQVHGTKWQPQV-PDGQHHTCSA-N","","","","","","","","","","","","","","","","","","","","XQRQVHGTKWQPQV-PDGQHHTCSA-N","","CC1=CC=CC=C1NC(=S)NN=C(C)C2=CC=CC=N2","XQRQVHGTKWQPQV-PDGQHHTCSA-N","5923825",NA,"PDBC54920","668332","Present"
-"XR-11576","","","","","","","","","","","","","","","","","","","","XR-11576","","CC(CN(C)C)NC(=O)C1=C2C(=CC=C1)N=C3C=CC4=C(C3=N2)C=CC=C4OC","ACAXGYADTLFREX-CQSZACIVSA-N","9886593",NA,"PDBC54921","754365","Present"
-"XR-5944","","","","","","","","","","","","","","","","","","","","XR-5944","","CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCNCCNCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C","SFOADSRLCHRTKT-UHFFFAOYSA-N","439035",NA,"PDBC54922","754366","Present"
-"XTEFRGALZMWBFT-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","XTEFRGALZMWBFT-UHFFFAOYSA-N","","COC1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC=CC=C3","XTEFRGALZMWBFT-UHFFFAOYSA-N","387739",NA,"PDBC54923","681768","Present"
-"XYGOTTPSAUZKGN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","XYGOTTPSAUZKGN-UHFFFAOYSA-N","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2","XYGOTTPSAUZKGN-UHFFFAOYSA-N","384762",NA,"PDBC54924","675198","Present"
-"XZFAEKDEAQZKCN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","XZFAEKDEAQZKCN-UHFFFAOYSA-N","","CCNC(C)(C)C(C1=CC=C(C=C1)Br)SS","XZFAEKDEAQZKCN-UHFFFAOYSA-N","313361",NA,"PDBC54925","227265","Present"
-"Xanthanone-acetic acid","","","","","","","","","","","","","","","","","","","","Xanthanone-acetic acid","","C1=CC=C2C(=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O.[Na+]","ZZORMKFCMIXJRD-UHFFFAOYSA-N","18379910",NA,"PDBC54926","677590","Present"
-"Xanthatin","","","","","","","","","","","","","","","","","","","","Xanthatin","","CC1CC2C(CC=C1C=CC(=O)C)C(=C)C(=O)O2","RBRPTFMVULVGIC-SNAWJCMRSA-N","5916519",NA,"PDBC54927","136704","Present"
-"Xanthinin","","","","","","","","","","","","","","","","","","","","xanthinin","","CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2","DPSCQKGSAHTWSP-UHFFFAOYSA-N","160533",NA,"PDBC54928","136705","Present"
-"Xanthocycline","","","","","","","","","","","","","","","","","","","","xanthomycin","","CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN5CCN(CC5)C(=N)N=C(N)N)N(C)C)O.Cl","BTGFEDVEKZEFQK-SOQZIHGPSA-N","54725160",NA,"PDBC54929","118695","Present"
-"Xanthorhamnin","","","","","","","","","","","","","","","","","","","","Xanthorhamnin","","","","",NA,"PDBC54930","19804","Present"
-"Xanthoxyletin","","","","","","","","","","","","","","","","","","","","xanthoxylin n","","CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C","JSJIIHRNDMLJGK-UHFFFAOYSA-N","66548",NA,"PDBC54931","35542","Present"
-"Xantocillin","","","","","","","","","","","","","","","","","","","","Brevicid","","[C-]#[N+]C(=CC1=CC=C(C=C1)O)C(=CC2=CC=C(C=C2)O)[N+]#[C-]","YBMVKDUTYAGKEW-WHYMJUELSA-N","5378293",NA,"PDBC54932","179485","Present"
-"Xestin A","","","","","","","","","","","","","","","","","","","","Xestin A","","CC=CC=CCCCCCCCCCCCCCC1(C=CC(OO1)CC(=O)OC)OC","JYPVJTWYQWZBBU-YTXTXJHMSA-N","5354046",NA,"PDBC54933","647638","Present"
-"Xestin B","","","","","","","","","","","","","","","","","","","","Xestin B","","CC=CC=CCCCCCCCCCCCCCC1(C=CC(OO1)CC(=O)OC)OC","JYPVJTWYQWZBBU-YLXCLEQCSA-N","5467171",NA,"PDBC54934","647639","Present"
-"Xestoquinone","","","","","","","","","","","","","","","","","","","","Xestoquinone","","CC12CCCC3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4","HDONDRKCXFRHQQ-FQEVSTJZSA-N","122838",NA,"PDBC54935","643406","Present"
-"Ximenynic acid","","","","","","","","","","","","","","","","","","","","santalbic acid","","CCCCCCC=CC#CCCCCCCCC(=O)O","VENIIVIRETXKSV-BQYQJAHWSA-N","5312688",NA,"PDBC54936","252625","Present"
-"Xyloccensin K","","","","","","","","","","","","","","","","","","","","Xyloccensin K","","CC1(C(C2(C3CCC4(C(OC(=O)CC4(C35CC(C1O5)C2=O)O)C6=COC=C6)C)C)CC(=O)OC)C","OQQDWKJSAQRSAX-GXXYURFWSA-N","6712460",NA,"PDBC54937","688729","Present"
-"Xylostasin","","","","","","","","","","","","","","","","","","","","ribastamin///Xylostasin","","C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)O)O)O)N","NSKGQURZWSPSBC-UHFFFAOYSA-N","5066",NA,"PDBC54938","138925///236658","Present"
-"YB1PP1M8P8","","","","","","","","","","","","","","","","","","","","YB1PP1M8P8","","COC1=CC(=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC","ADBLJUDPXDJMMK-UHFFFAOYSA-N","251114",NA,"PDBC54939","71302","Present"
-"YCRKBDKRIPQYHN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YCRKBDKRIPQYHN-UHFFFAOYSA-N","","COC1(CC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO)OC","YCRKBDKRIPQYHN-UHFFFAOYSA-N","385228",NA,"PDBC54940","676341","Present"
-"YEGRPPXXLNIGRK-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YEGRPPXXLNIGRK-UHFFFAOYSA-N","","COC(=O)CC1=CC(=O)NC2=C1C(=O)CCC2","YEGRPPXXLNIGRK-UHFFFAOYSA-N","363122",NA,"PDBC54941","627690","Present"
-"YFLJDQVSXQDXCY-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YFLJDQVSXQDXCY-UHFFFAOYSA-N","","CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CCO)C","YFLJDQVSXQDXCY-UHFFFAOYSA-N","387294",NA,"PDBC54942","680988","Present"
-"YGQANBCTQPYFME-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YGQANBCTQPYFME-UHFFFAOYSA-N","","CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC","YGQANBCTQPYFME-UHFFFAOYSA-N","384761",NA,"PDBC54943","675197","Present"
-"YLUDELKUKHQCMC-UHFFFAOYSA-","","","","","","","","","","","","","","","","","","","","YLUDELKUKHQCMC-UHFFFAOYSA-","","CCN1C2=C(C=CC(=C2)O)C3=C(C1=O)C4=C(O3)C=C(C=C4)O","YLUDELKUKHQCMC-UHFFFAOYSA-N","5465650",NA,"PDBC54944","658208","Present"
-"YPGGUVZHSVAUCQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YPGGUVZHSVAUCQ-UHFFFAOYSA-N","","CC(C)(C)N1C(C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3","YPGGUVZHSVAUCQ-UHFFFAOYSA-N","358992",NA,"PDBC54945","619199","Present"
-"YPMUDXXNPCPBIN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YPMUDXXNPCPBIN-UHFFFAOYSA-N","","CCCN(CCC)C1CCC2=C(C1)C=CC3=C2NC=C3","YPMUDXXNPCPBIN-UHFFFAOYSA-N","391101",NA,"PDBC54946","689719","Present"
-"YPQYPYHZSJNTAV-XNTDXEJSSA-N","","","","","","","","","","","","","","","","","","","","YPQYPYHZSJNTAV-XNTDXEJSSA-N","","COC(=O)C1=CC=C(C=C1)C=C2CC3=CC=CC=C3C2=O","YPQYPYHZSJNTAV-XNTDXEJSSA-N","1550271",NA,"PDBC54947","660228","Present"
-"YQDYZPHMROBRNT-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YQDYZPHMROBRNT-UHFFFAOYSA-N","","C1=CC=C(C=C1)C2C3(O2)C4=CC=CC=C4C(=O)O3","YQDYZPHMROBRNT-UHFFFAOYSA-N","374225",NA,"PDBC54948","651715","Present"
-"YQLPFERSLGJEMU-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YQLPFERSLGJEMU-UHFFFAOYSA-N","","CCCCCC(CCCCC)(CCCCCCCCC1=C(C2=C(C=CC(=O)N2)C(=O)C1=O)O)O","PNLAMCKHYXAFMJ-UHFFFAOYSA-N","275311",NA,"PDBC54949","122057","Present"
-"YS-822A","","","","","","","","","","","","","","","","","","","","YS-822A","","CC1C(C(C(C(O1)OC2CC3C(C(CC(O3)(CC(CC(C(CCC(=O)OC(CCCC=CC=CC=CC=C2)C(C)C)O)O)O)O)O)C(=O)O)O)N)O","HCAJMOSNTHQEGE-VYXFTXMVSA-N","5466947",NA,"PDBC54950","645797","Present"
-"YTGBBHOCDKGLED-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YTGBBHOCDKGLED-UHFFFAOYSA-N","","CC1CCC(C(=O)C1)C(C)(C)C2=CC=CC=C2","YTGBBHOCDKGLED-UHFFFAOYSA-N","359304",NA,"PDBC54951","620054","Present"
-"YTSZWYKKYYULHX-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YTSZWYKKYYULHX-UHFFFAOYSA-N","","CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3C(C)OC(=O)C)OC(=O)C","YTSZWYKKYYULHX-UHFFFAOYSA-N","376543",NA,"PDBC54952","657548","Present"
-"YTTXZJYFAKWCAE-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","YTTXZJYFAKWCAE-UHFFFAOYSA-N","","CC(C)(C)OC(=O)NC(CO)C1=CC(=CC=C1)OCC2=CC=CC=C2","YTTXZJYFAKWCAE-UHFFFAOYSA-N","357738",NA,"PDBC54953","617257","Present"
-"Yangonin","","","","","","","","","","","","","","","","","","","","Yangonin","","COC1=CC=C(C=C1)C=CC2=CC(=CC(=O)O2)OC","XLHIYUYCSMZCCC-VMPITWQZSA-N","5281575",NA,"PDBC54954","212502","Present"
-"Yieldene malononitrile","","","","","","","","","","","","","","","","","","","","yieldene malononitrile","","C1COC2=C(C1=C(C#N)C#N)C=C(C=C2)F","SZLMFXYGKQPTOK-UHFFFAOYSA-N","11528605",NA,"PDBC54955","731294","Present"
-"Yliedene dicyano","","","","","","","","","","","","","","","","","","","","Yliedene dicyano","","C1CC(=C(C#N)C#N)C2=C(C3=CC=CC=C3C=C2)OC1","PPYZPBCYWRPKIM-UHFFFAOYSA-N","406495",NA,"PDBC54956","724622","Present"
-"Yohimbinesulfonic acid","","","","","","","","","","","","","","","","","","","","Yohimbinesulfonic acid","","COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)OS(=O)(=O)O","XBZJQPNSUUABAM-UHFFFAOYSA-N","275186",NA,"PDBC54957","121855","Present"
-"Yuanhuacin","","","","","","","","","","","","","","","","","","","","From Gnidia","","CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO","CGSGRJNIABXQJQ-CAAOHEDASA-N","6440205",NA,"PDBC54958","270919","Present"
-"Yuccaol A","","","","","","","","","","","","","","","","","","","","Yuccaol A","","C1=CC(=CC(=C1)O)C2C3(C4=C(C=C(C=C4O2)O)O)C5=C(C=C(C=C5OC3=O)O)C=CC6=CC=C(C=C6)O","KGEBEOHZPNIDOO-LEZGXDNXSA-N","5472643",NA,"PDBC54959","720592","Present"
-"Yuccaol C","","","","","","","","","","","","","","","","","","","","Yuccaol C","","COC1=C(C=C(C=C1O)C=CC2=C3C(=CC(=C2)O)OC(=O)C34C(OC5=CC(=CC(=C45)O)O)C6=CC(=CC=C6)O)O","KHGBPZCKVUBCGO-FMWPOBPCSA-N","5472642",NA,"PDBC54960","720591","Present"
-"Yuzurimine","","","","","","","","","","","","","","","","","","","","YUZURIMINE","","CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C(CC1C62O)OC(=O)C)COC(=O)C)C(=O)OC","PCARXYHNISKVGD-UHFFFAOYSA-N","431853",NA,"PDBC54961","299118","Present"
-"Yvckuiyfoooqja-vxxwiwkdsa-","","","","","","","","","","","","","","","","","","","","Bipinnatolide-E","","CC1=CC(=O)CC(=C)C2(C(C(CC(O2)C34C(O3)C(C1)OC4=O)C(=C)C)O)O","YVCKUIYFOOOQJA-VXXWIWKDSA-N","5470494",NA,"PDBC54962","702310","Present"
-"Z(OMe)-Gly-Ala-Phe-OBzl","","","","","","","","","","","","","","","","","","","","Z(OMe)-Gly-D-Ala-Phe-OBzl///Z(OMe)-Gly-Ala-Phe-OBzl","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)OCC3=CC=C(C=C3)OC","CRXSREULUSVSDD-UHFFFAOYSA-N","386870",NA,"PDBC54963","679684///679685","Present"
-"Z-alpha-Chlorochalcone","","","","","","","","","","","","","","","","","","","","Z-.alpha.-Chlorochalcone","","C1=CC=C(C=C1)C=C(C(=O)C2=CC=CC=C2)Cl","QVJBOBWETDUBFS-KAMYIIQDSA-N","5470324",NA,"PDBC54964","699680","Present"
-"Z1070379994","","","","","","","","","","","","","","","","","","","","Z1070379994","","C1=CC=C2C(=C1)N=NN2C3=C(C=NC=C3)[N+](=O)[O-]","FPSSUUZYVJXKOZ-UHFFFAOYSA-N","357341",NA,"PDBC54965","615610","Present"
-"Z127088300","","","","","","","","","","","","","","","","","","","","Z127088300","","CC1=CC2=C(C=C1)N=C(N2)SC3=C(N=CN3C)[N+](=O)[O-]","XHKQXEHCPHPPSO-UHFFFAOYSA-N","364602",NA,"PDBC54966","631130","Present"
-"Z18027384","","","","","","","","","","","","","","","","","","","","Z18027384","","C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC3=C(C=CC=C3Cl)Cl","WGKXQPOQQCWYHH-UHFFFAOYSA-N","2466498",NA,"PDBC54967","744206","Present"
-"Z18701173","","","","","","","","","","","","","","","","","","","","Z18701173","","C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=C(C=CS4)C#N","WMQPNIKYHUHYQK-UHFFFAOYSA-N","4603586",NA,"PDBC54968","743402","Present"
-"Z19645465","","","","","","","","","","","","","","","","","","","","Z19645465","","CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC2=CC=CC3=C2N=CC=C3","NSORGUZKYAONLA-UHFFFAOYSA-N","16251008",NA,"PDBC54969","743404","Present"
-"Z198955462","","","","","","","","","","","","","","","","","","","","Z198955462","","C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N=C3NN=C(CS3)C4=CNC5=CC=CC=C54","UXMAOGVQRDBCLR-UHFFFAOYSA-N","135528004",NA,"PDBC54970","744178","Present"
-"Z2010009871","","","","","","","","","","","","","","","","","","","","Z2010009871","","C1OC2=C(O1)C=C3C(=C2)C(OC3=O)O","OMWWLAWOSZODOO-UHFFFAOYSA-N","359572",NA,"PDBC54971","620563","Present"
-"Z220352210","","","","","","","","","","","","","","","","","","","","Z220352210","","COC(=O)CCC(=O)C1=CC2=C(CCC2)C=C1","DPLXGTDPNMHXSC-UHFFFAOYSA-N","382785",NA,"PDBC54972","670463","Present"
-"Z223639760","","","","","","","","","","","","","","","","","","","","Z223639760","","C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC(=C(N=C23)C#N)C#N)CC4=CN=CC=C4)N","VWVDIYNBWCHBQY-UHFFFAOYSA-N","17549909",NA,"PDBC54973","743265","Present"
-"Z223639762","","","","","","","","","","","","","","","","","","","","Z223639762","","CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CCCN5CCOCC5)N","MLSKKZILDUZBJG-UHFFFAOYSA-N","17549910",NA,"PDBC54974","743268","Present"
-"Z223639772","","","","","","","","","","","","","","","","","","","","Z223639772","","COC1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(F)(F)F","GFDIWNLTCFQFEQ-UHFFFAOYSA-N","17549914",NA,"PDBC54975","743271","Present"
-"Z223639776","","","","","","","","","","","","","","","","","","","","Z223639776","","C1COCCN1CCCN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)N","ISUHBEGRNWBKBD-UHFFFAOYSA-N","17549916",NA,"PDBC54976","743264","Present"
-"Z223639778","","","","","","","","","","","","","","","","","","","","Z223639778","","CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC5=CC=C(C=C5)C(F)(F)F)N","FTLMVQWOFAXZDB-UHFFFAOYSA-N","17549917",NA,"PDBC54977","743269","Present"
-"Z2418194164","","","","","","","","","","","","","","","","","","","","Z2418194164","","CCC1=NNC(=O)N1CC","UEUMMYRZUZKMRI-UHFFFAOYSA-N","104346",NA,"PDBC54978","680859","Present"
-"Z24759926","","","","","","","","","","","","","","","","","","","","Z24759926","","CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C","UNFLXUQOQCPFDD-UHFFFAOYSA-N","4853660",NA,"PDBC54979","743408","Present"
-"Z25095218","","","","","","","","","","","","","","","","","","","","Z25095218","","C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl","PPGLIJQOJMOLCS-UHFFFAOYSA-N","371321",NA,"PDBC54980","645395","Present"
-"Z26357397","","","","","","","","","","","","","","","","","","","","Z26357397","","COC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N","MCHVPHDEUATDHC-UHFFFAOYSA-N","2078783",NA,"PDBC54981","744144","Present"
-"Z27665932","","","","","","","","","","","","","","","","","","","","Z27665932","","CN(CC(=O)NC1=NC2=CC=CC=C2N1)S(=O)(=O)C3=CC=C(C=C3)Cl","ZCKDUZKSAPPHOM-UHFFFAOYSA-N","2079923",NA,"PDBC54982","744145","Present"
-"Z285756890","","","","","","","","","","","","","","","","","","","","Z285756890","","C1CC2=C(C1)C=C(C=C2)NC3=CC(=NC(=N3)N)Cl","GAHWHLIVMWNYLW-UHFFFAOYSA-N","389507",NA,"PDBC54983","685793","Present"
-"Z28714792","","","","","","","","","","","","","","","","","","","","Z28714792","","CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F","IPEUMJHGZDEHOI-UHFFFAOYSA-N","2671841",NA,"PDBC54984","746248","Present"
-"Z29325634","","","","","","","","","","","","","","","","","","","","Z29325634","","CC1=CN=C(S1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3","MHIQLGJPMZNFJQ-UHFFFAOYSA-N","3955158",NA,"PDBC54985","744152","Present"
-"Z29651365","","","","","","","","","","","","","","","","","","","","Z29651365","","C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=NC(=CS3)C4=CNC5=CC=CC=C54","KXVUCPXFLZZARK-UHFFFAOYSA-N","2594324",NA,"PDBC54986","744209","Present"
-"Z324814354","","","","","","","","","","","","","","","","","","","","Z324814354","","C1CCN(CC1)CCN2C3=CC=CC=C3OC2=O","TXACIQGUKJSIDI-UHFFFAOYSA-N","14633",NA,"PDBC54987","690663","Present"
-"Z3317","","","","","","","","","","","","","","","","","","","","Z3317","","COC1=C(C=C(C=C1)CCNC(=O)CC2=CC=CC=C2CO)OC","UBPACCQIVAYDGD-UHFFFAOYSA-N","390031",NA,"PDBC54988","686946","Present"
-"Z357940020","","","","","","","","","","","","","","","","","","","","Z357940020","","C1=C(N=C(N=C1Cl)N)NCCCNC2=CC(=NC(=N2)N)Cl","IRALZZANDSGMIK-UHFFFAOYSA-N","358987",NA,"PDBC54989","619194","Present"
-"Z372962506","","","","","","","","","","","","","","","","","","","","Z372962506","","CN(C)CCCNC1=NC=NC2=C1NC=N2","XPGRGGGJIBQROV-UHFFFAOYSA-N","3246079",NA,"PDBC54990","19097","Present"
-"Z44584405","","","","","","","","","","","","","","","","","","","","Z44584405","","C1=CC(=CC(=C1)Cl)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl","MHXLSLNJOSVEGO-UHFFFAOYSA-N","266474",NA,"PDBC54991","104498","Present"
-"Z44602764","","","","","","","","","","","","","","","","","","","","Z44602764","","CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)Cl","SKAIZFCFXOJRNO-UHFFFAOYSA-N","381837",NA,"PDBC54992","668910","Present"
-"Z44893431","","","","","","","","","","","","","","","","","","","","Z44893431","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=CC=C3Cl","GYDJAIGSHYMAKI-UHFFFAOYSA-N","3005057",NA,"PDBC54993","668497","Present"
-"Z48834172","","","","","","","","","","","","","","","","","","","","Z48834172","","C1CN=C(N1)SCC2=CC(=C(C=C2)Cl)Cl.Cl","IJZBKEJUONYDFB-UHFFFAOYSA-N","5351706",NA,"PDBC54994","23478","Present"
-"Z48861686","","","","","","","","","","","","","","","","","","","","Z48861686","","CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4","SDJLGERYFCLGOP-UHFFFAOYSA-N","4784054",NA,"PDBC54995","745813","Present"
-"Z48958610","","","","","","","","","","","","","","","","","","","","Z48958610","","COC1=C(C=C(C=C1)N=C2NN=C(CS2)C3=CNC4=CC=CC=C43)OC","JXIGFRJLSMOSLQ-UHFFFAOYSA-N","135543484",NA,"PDBC54996","746005","Present"
-"Z48964407","","","","","","","","","","","","","","","","","","","","Z48964407","","CC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NCC=C)S2","ZWVXUTXSBVVOKF-UHFFFAOYSA-N","135416192",NA,"PDBC54997","631562","Present"
-"Z48978407","","","","","","","","","","","","","","","","","","","","Z48978407","","C1=CC=C2C(=C1)C(=O)NC(N2)C3=C(C=CC=C3Cl)Cl","XNEJBORZTLAGGQ-UHFFFAOYSA-N","292562",NA,"PDBC54998","158391","Present"
-"Z49571350","","","","","","","","","","","","","","","","","","","","Z49571350","","C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3)Br)O)[N+](=O)[O-]","NWANKNAIZXGDQI-UHFFFAOYSA-N","3718835",NA,"PDBC54999","117194","Present"
-"Z52868488","","","","","","","","","","","","","","","","","","","","Z52868488","","CCCN1C(=C(C(=O)NC1=O)C(=O)CNC2=CC=C(C=C2)I)N","GRJMBYQHYGVQRV-UHFFFAOYSA-N","4806509",NA,"PDBC55000","746351","Present"
-"Z54338316","","","","","","","","","","","","","","","","","","","","Z54338316","","CC(C)SC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC","NERFMAHVMVRHGE-UHFFFAOYSA-N","2339468",NA,"PDBC55001","744143","Present"
-"Z54581697","","","","","","","","","","","","","","","","","","","","Z54581697","","C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)O","HSDSEYKDYSEFBN-UHFFFAOYSA-N","4992159",NA,"PDBC55002","778591","Present"
-"Z55430962","","","","","","","","","","","","","","","","","","","","Z55430962","","C1CC(OC1)CN2CC(=C(C2=N)C3=NC(=CS3)C4=CC=C(C=C4)Br)O","LLUVKQYPJCHGAO-UHFFFAOYSA-N","135452249",NA,"PDBC55003","743272","Present"
-"Z55544497","","","","","","","","","","","","","","","","","","","","Z55544497","","CCN(CC)CCN1CC(=C(C1=N)C2=NC(=CS2)C3=CC=C(C=C3)Cl)O","NIOKLBPYEXLZSR-UHFFFAOYSA-N","135467343",NA,"PDBC55004","743279","Present"
-"Z55545006","","","","","","","","","","","","","","","","","","","","Z55545006","","C1C(=C(C(=N)N1CC2=CN=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Br)O","ZFHSHYZRGTYVBX-UHFFFAOYSA-N","135521118",NA,"PDBC55005","743274","Present"
-"Z56768957","","","","","","","","","","","","","","","","","","","","Z56768957","","C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=CN=C4","MAIPCAOTPKHYEC-UHFFFAOYSA-N","389584",NA,"PDBC55006","685889","Present"
-"Z56788531","","","","","","","","","","","","","","","","","","","","Z56788531","","CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2","APCDZELYRQSAJA-UHFFFAOYSA-N","2320501",NA,"PDBC55007","744096","Present"
-"Z56789548","","","","","","","","","","","","","","","","","","","","Z56789548","","C1=CC=C2C(=C1)NC3=C(C(=O)C4=C(N23)N=CC=C4)C#N","LDVXHYQUSLZXER-UHFFFAOYSA-N","391672",NA,"PDBC55008","691214","Present"
-"Z56789550","","","","","","","","","","","","","","","","","","","","Z56789550","","CN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)C=CC=N4)C#N","RHFAFQNOTSBJLW-UHFFFAOYSA-N","395239",NA,"PDBC55009","699714","Present"
-"Z56789810","","","","","","","","","","","","","","","","","","","","Z56789810","","C1=CC=C2C(=C1)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N)S2","SCGDLBXJDMTNLP-UHFFFAOYSA-N","391668",NA,"PDBC55010","691210","Present"
-"Z56791594","","","","","","","","","","","","","","","","","","","","Z56791594","","COC1=CC2=C(C=C1)C3(C(=O)C4=CC=CC=C4C3(N2)O)O","ZCJFNNGFDOCUAI-UHFFFAOYSA-N","368305",NA,"PDBC55011","638853","Present"
-"Z56879010","","","","","","","","","","","","","","","","","","","","Z56879010","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C3=C(C=CC(=C3)Br)O","MIYNNLULSJIJKK-UHFFFAOYSA-N","3630701",NA,"PDBC55012","744239","Present"
-"Z99600124","","","","","","","","","","","","","","","","","","","","Z99600124","","C1=CC(=CC(=C1)Cl)NN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)N","CQHPWGQQERADRN-UHFFFAOYSA-N","1640087",NA,"PDBC55013","743267","Present"
-"ZB0703","","","","","","","","","","","","","","","","","","","","ZB0703","","CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)Cl","BMIYQLIZIPDXAS-UHFFFAOYSA-N","360325",NA,"PDBC55014","622373","Present"
-"ZCDLHLFXGSSDLO-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ZCDLHLFXGSSDLO-UHFFFAOYSA-N","","C=CCSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3","ZCDLHLFXGSSDLO-UHFFFAOYSA-N","331177",NA,"PDBC55015","321518","Present"
-"ZD 7288","","","","","","","","","","","","","","","","","","","ZD","","","CCN(C1=CC=CC=C1)C2=CC(=NC)N(C(=N2)C)C.Cl","DUWKUHWHTPRMAP-UHFFFAOYSA-N","123983",NA,"PDBC55016","","Absent"
-"ZEXNAJYBXQZTRQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ZEXNAJYBXQZTRQ-UHFFFAOYSA-N","","C1CC(C1)(CNC2=NC(=NC=C2)N)CO","ZEXNAJYBXQZTRQ-UHFFFAOYSA-N","385194",NA,"PDBC55017","676309","Present"
-"ZEZNXEJCMWBVFC-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ZEZNXEJCMWBVFC-UHFFFAOYSA-N","","C1=CC=C(C=C1)C2=C(C(=O)C(=O)NN2C3=CC=CC=C3)C(=O)C4=CC=CC=C4","ZEZNXEJCMWBVFC-UHFFFAOYSA-N","404272",NA,"PDBC55018","720450","Present"
-"ZKEMHJQBTVPBJU-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ZKEMHJQBTVPBJU-UHFFFAOYSA-N","","CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C)NC(=O)C3=CC(=CC=C3)Cl","ZKEMHJQBTVPBJU-UHFFFAOYSA-N","389136",NA,"PDBC55019","684821","Present"
-"ZNEVPUCBRGFKFM-IBGZPJMESA-N","","","","","","","","","","","","","","","","","","","","ZNEVPUCBRGFKFM-IBGZPJMESA-N","","COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCCC5C(=O)O)OCO4","ZNEVPUCBRGFKFM-IBGZPJMESA-N","24205677",NA,"PDBC55020","736372","Present"
-"ZSUDSCKIBFDILN-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ZSUDSCKIBFDILN-UHFFFAOYSA-N","","CC1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C","ZSUDSCKIBFDILN-UHFFFAOYSA-N","370270",NA,"PDBC55021","643048","Present"
-"ZUDDQEGWGGRBFB-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ZUDDQEGWGGRBFB-UHFFFAOYSA-N","","C1=CC=C2C(=C1)C3C(=O)C4=CC=CC=C4C3(C2=O)Br","ZUDDQEGWGGRBFB-UHFFFAOYSA-N","361800",NA,"PDBC55022","625120","Present"
-"ZVMZHROEWYWOJY-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ZVMZHROEWYWOJY-UHFFFAOYSA-N","","C1CCN(CC1)CCN2C=NC3=C(C2=O)C=CC=N3","ZVMZHROEWYWOJY-UHFFFAOYSA-N","360818",NA,"PDBC55023","623235","Present"
-"ZWPLFWZKNKBVOQ-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ZWPLFWZKNKBVOQ-UHFFFAOYSA-N","","CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC(=CC=C1)Cl)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F","ZWPLFWZKNKBVOQ-UHFFFAOYSA-N","384772",NA,"PDBC55024","675208","Present"
-"ZWX6M6AF6L","","","","","","","","","","","","","","","","","","","","ZWX6M6AF6L","","CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)CC3=CC=CC=C3)[N+](=O)[O-]","AGEVNTXDTUYAHG-UHFFFAOYSA-N","343093",NA,"PDBC55025","382046","Present"
-"ZWYAOVQOEZSEGI-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ZWYAOVQOEZSEGI-UHFFFAOYSA-N","","C1CC(C1)(CNC2=NC(=NC=C2Br)N)CO","ZWYAOVQOEZSEGI-UHFFFAOYSA-N","385198",NA,"PDBC55026","676312","Present"
-"ZX-AL000071","","","","","","","","","","","","","","","","","","","","ZX-AL000071","","CC1(C2CCC1(C(=O)C2)C(=O)OC)C","RVNZADBGUKKLTO-UHFFFAOYSA-N","373311",NA,"PDBC55027","649457","Present"
-"ZX-AP010086","","","","","","","","","","","","","","","","","","","","ZX-AP010086","","C1=CC=C2C(=C1)C(=CC3=C(ON=C23)C(F)(F)F)C(=O)C(F)(F)F","KEBWDNXYMFJTRK-UHFFFAOYSA-N","372107",NA,"PDBC55028","646981","Present"
-"ZX-AP010477","","","","","","","","","","","","","","","","","","","","ZX-AP010477","","","","",NA,"PDBC55029","664861","Present"
-"ZX-AP012572","","","","","","","","","","","","","","","","","","","","ZX-AP012572","","C1=CC(=CC(=C1)N=CC2=C(C=CC(=C2)Br)O)C(F)(F)F","HZEUNSTWVBILMM-UHFFFAOYSA-N","305092",NA,"PDBC55030","201835","Present"
-"ZX-AP012793","","","","","","","","","","","","","","","","","","","","ZX-AP012793","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C","XQJCWEVWMDLRKO-UHFFFAOYSA-N","382493",NA,"PDBC55031","670099","Present"
-"ZX-AP012794","","","","","","","","","","","","","","","","","","","","ZX-AP012794","","CCOC(=O)C(C(=O)OCC)C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC","LXVWXEZZBPHFJH-UHFFFAOYSA-N","383568",NA,"PDBC55032","671986","Present"
-"ZX-AP012852","","","","","","","","","","","","","","","","","","","","ZX-AP012852","","C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=NOC(=O)NC(=C(Cl)Cl)Cl)N","ZHZVXZUMWRUFRR-UHFFFAOYSA-N","9555545",NA,"PDBC55033","339606","Present"
-"ZX-AP013443","","","","","","","","","","","","","","","","","","","","ZX-AP013443","","CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C","VNGFAWSISVJGAU-UHFFFAOYSA-N","383545",NA,"PDBC55034","671963","Present"
-"ZX-AT000818","","","","","","","","","","","","","","","","","","","","ZX-AT000818","","CC1(COC(=N1)C2=CC=C(C=C2)OC)C","HQVCWVGSZXODRW-UHFFFAOYSA-N","359337",NA,"PDBC55035","620123","Present"
-"ZX-AT016287","","","","","","","","","","","","","","","","","","","","ZX-AT016287","","C1=CC=C(C(=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl","KMHFPKWODSHRBC-VMPITWQZSA-N","5388424",NA,"PDBC55036","635959","Present"
-"ZX-AT020921","","","","","","","","","","","","","","","","","","","","ZX-AT020921","","CC1=CC2=C(CCC3=[N+](ON=C32)[O-])N=N1","KKRFMRZKDXIDQT-UHFFFAOYSA-N","382421",NA,"PDBC55037","669984","Present"
-"ZX-AT022833","","","","","","","","","","","","","","","","","","","","ZX-AT022833","","C1=CSC=C1C=CC(=O)C2=CSC=C2","AVXNUVHHGJELRS-OWOJBTEDSA-N","5467682",NA,"PDBC55038","657757","Present"
-"ZX-AT024405","","","","","","","","","","","","","","","","","","","","ZX-AT024405","","C[N+](C)(CC1=CSC(=N1)C2=CC=C(C=C2)Cl)N.[Cl-]","PSMDPOIVAIJXHA-UHFFFAOYSA-M","2776784",NA,"PDBC55039","321489","Present"
-"ZX-AT024422","","","","","","","","","","","","","","","","","","","","ZX-AT024422","","C1C2=C(C(=CC(=C2)Cl)CSC3=CC=CC=C3NC(=O)CCl)OCO1","IANNOCKBDJSXHQ-UHFFFAOYSA-N","331159",NA,"PDBC55040","321494","Present"
-"ZX-AT026688","","","","","","","","","","","","","","","","","","","","ZX-AT026688","","C1=CC=C(C=C1)C2=C(C(=O)C(C(=O)N2C3=CC=CC=C3)(C4=CC=CC=C4)N=[N+]=[N-])Cl","LJCSWOKTCLISLU-UHFFFAOYSA-N","374158",NA,"PDBC55041","651615","Present"
-"ZX-AT026689","","","","","","","","","","","","","","","","","","","","ZX-AT026689","","C1CC2=C3C(=CC=C2)C(=CC(=O)N3C1)N=[N+]=[N-]","LRWNORLHUYWPME-UHFFFAOYSA-N","375223",NA,"PDBC55042","654617","Present"
-"ZX-AT026921","","","","","","","","","","","","","","","","","","","","ZX-AT026921","","C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2Cl)O","GJHOECHVMHCVTK-MDZDMXLPSA-N","5709429",NA,"PDBC55043","637687","Present"
-"ZX-AT026954","","","","","","","","","","","","","","","","","","","","ZX-AT026954","","C1=CC=C2C(=C1)C=CC=C2C(=O)C=CC3=CC=CC=C3Cl","VCEPBNDYZZBYQS-OUKQBFOZSA-N","5377479",NA,"PDBC55044","640530","Present"
-"ZX-AT027468","","","","","","","","","","","","","","","","","","","","ZX-AT027468","","C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4N","SBMKCHWGSHDOJU-UHFFFAOYSA-N","2794848",NA,"PDBC55045","665952","Present"
-"ZX-AT027856","","","","","","","","","","","","","","","","","","","","ZX-AT027856","","CC(C)(C=NO)[N+](=CC1=CC=CC=C1)[O-]","ILQZGEKYGSPTGA-OYQWPQAFSA-N","5338880",NA,"PDBC55046","663922","Present"
-"ZX-AT027945","","","","","","","","","","","","","","","","","","","","ZX-AT027945","","C1=CC(=C2C(=C1O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)O","HGWPFZAIXJHLBN-UHFFFAOYSA-N","228946",NA,"PDBC55047","22203","Present"
-"ZX-AT028105","","","","","","","","","","","","","","","","","","","","ZX-AT028105","","C1=CC=C(C(=C1)C(=O)C=CC2=CN=CC=C2)O","CRWNZUBUBIULHB-BQYQJAHWSA-N","5356048",NA,"PDBC55048","49652","Present"
-"ZX-AT028139","","","","","","","","","","","","","","","","","","","","ZX-AT028139","","C1=CSC(=C1)C=CC(=O)C2=CC=C(C=C2)Cl","JOYGXTIHTHBSOA-BQYQJAHWSA-N","5376057",NA,"PDBC55049","657746","Present"
-"ZX-AT028156","","","","","","","","","","","","","","","","","","","","ZX-AT028156","","C1=CC(=CC=C1C(=O)C=CC2=CSC=C2)Cl","LLNOMBQBEKFPFK-LZCJLJQNSA-N","5467679",NA,"PDBC55050","657750","Present"
-"ZX-AT028159","","","","","","","","","","","","","","","","","","","","ZX-AT028159","","CC1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]","SGCDUQWVNMXCOR-JXMROGBWSA-N","5712222",NA,"PDBC55051","640537","Present"
-"ZX-AT028184","","","","","","","","","","","","","","","","","","","","ZX-AT028184","","C1=CC(=CC=C1C=CC(=O)C2=CC=C(S2)Cl)Cl","NIHJQGCDODCOQA-ZZXKWVIFSA-N","5467680",NA,"PDBC55052","657751","Present"
-"ZX-CM015395","","","","","","","","","","","","","","","","","","","","ZX-CM015395","","C(CC1=NON=C1C(=O)O)CN","VQSAOMMZQDDRTG-UHFFFAOYSA-N","379410",NA,"PDBC55053","663952","Present"
-"ZX-CM016862","","","","","","","","","","","","","","","","","","","","ZX-CM016862","","C1=COC(=C1)C2=NC(=NN2)SCC(=O)O","DRKDHTIUTZPSCI-UHFFFAOYSA-N","366158",NA,"PDBC55054","634485","Present"
-"ZXOIMDYNUBPEPD-UHFFFAOYSA-N","","","","","","","","","","","","","","","","","","","","ZXOIMDYNUBPEPD-UHFFFAOYSA-N","","C1=CC=C(C=C1)C2=NC(=O)NC(=C2)C3=CC=CC=C3O","ZXOIMDYNUBPEPD-UHFFFAOYSA-N","359843",NA,"PDBC55055","621453","Present"
-"Zaluzanin C","","","","","","","","","","","","","","","","","","","","Zaluzanin C","","C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C2=C","XFVLNEYIZGZDHP-UHFFFAOYSA-N","425954",NA,"PDBC55056","177851","Present"
-"Zanubrutinib","","","","","","","","","","","","","","","","","","","","NSC823807","","C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N","RNOAOAWBMHREKO-QFIPXVFZSA-N","135565884",NA,"PDBC55057","823807","Present"
-"Zedelan","","","","","","","","","","","","","","","","","","","","zedelan","","C(=CNC(=O)C=NO)C(=O)N","QSQKMLSXKVSYMJ-PKTZTGOHSA-N","6399401",NA,"PDBC55058","85680","Present"
-"Zexbrevin","","","","","","","","","","","","","","","","","","","","Zexbrevin","","CC1CC2C(C(CC3(C(=O)C=C1O3)C)OC(=O)C(=C)C)C(=C)C(=O)O2","KYTKEOOPALLADL-UHFFFAOYSA-N","331148",NA,"PDBC55059","321477","Present"
-"Zimelidine hydrochloride","","","","","","","","","","","","","","","","","","","","zimelidine hydrochloride","","CN(C)CC=C(C1=CC=C(C=C1)Br)C2=CN=CC=C2.Cl","GELMUARXROJGSO-LFMIJCLESA-N","22313112",NA,"PDBC55060","305352","Present"
-"Zinc pyrithione","","","","","","","","","","","","","","","","","","","","Zinc pyrithione","","","","",NA,"PDBC55061","68093","Present"
-"Zinc tetraphenylporphyrin","","","","","","","","","","","","","","","","","","","","NSC640185","","C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]","XPVVGUHKLPZAEN-UHFFFAOYSA-N","368849",NA,"PDBC55062","640185","Present"
-"Zinc(2+),N'-bis(2-chloroethyl)-1,2-ethanediamine-N,N']-, diperchlorate","","","","","","","","","","","","","","","","","","","","Zinc(2+), bis[N,N'-bis(2-chloroethyl)-1,2-ethanediamine-...","","C(C[N-]CCCl)[N-]CCCl.C(C[N-]CCCl)[N-]CCCl.OCl(=O)(=O)=O.[Zn+2]","RESLVOOERZMVDZ-UHFFFAOYSA-N","54600336",NA,"PDBC55063","161148","Present"
-"Zinc(II),O(sup 8))-","","","","","","","","","","","","","","","","","","","","zinc, bis(5-sulfo-8-quinolinolato)-","","C1CC2C(CCC(C2[N-]C1)O)S(=O)(=O)O.C1CC2C(CCC(C2[N-]C1)O)S(=O)(=O)O.[Zn+2]","XMHIRBOQOHBFCK-UHFFFAOYSA-N","54606877",NA,"PDBC55064","166687","Present"
-"Zinc;(2E,14E)-2,15-dimethyl-3,4,13,14,20-pentazatricyclo[14.3.1.06,11]icosa-1(20),2,6,8,10,14,16,18-octaene-5,12-dione;nitrate","","","","","","","","","","","","","","","","","","","","Zinc;(2E,14E)-2,15-dimethyl-3,4,13,14,20-pentazatricyclo[14.3.1.06,11]icosa-1(20),2,6,8,10,14,16,18-octaene-5,12-dione;nitrate","","CC1=NNC(=O)C2=CC=CC=C2C(=O)NN=C(C3=CC=CC1=N3)C.[N+](=O)([O-])[O-].[Zn+2]","SLOCVVKVJAHKPA-VJWGKHORSA-N","54608114",NA,"PDBC55065","646287","Present"
-"Zinc;(dithiocarboxyamino)methylcarbamodithioic acid","","","","","","","","","","","","","","","","","","","","Zinc;(dithiocarboxyamino)methylcarbamodithioic acid","","C(NC(=S)S)NC(=S)S.[Zn+2]","IMGSPTUIBJSLKI-UHFFFAOYSA-N","54602063",NA,"PDBC55066","85758","Present"
-"Zinc;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","","","","","","","","","","","","","","","","","","","Zinc;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Zn+2]","NHSHEPZQAWHBKP-CNHJQGRJSA-L","9569782",NA,"PDBC55067","617588","Present"
-"Zinc;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","","","","","","","","","","","","","","","","","","","Zinc;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate","","C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Zn+2]","KHUFPNHXBAPEEZ-CNHJQGRJSA-L","9569775",NA,"PDBC55068","617580","Present"
-"Zinc;2-(2-aminoanilino)benzoate","","","","","","","","","","","","","","","","","","","","Zinc;2-(2-aminoanilino)benzoate","","C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.[Zn+2]","QBHRVGSRKYHQGZ-UHFFFAOYSA-L","24202386",NA,"PDBC55069","646289","Present"
-"Zinc;2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate","","","","","","","","","","","","","","","","","","","","Zinc;2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate","","","","",NA,"PDBC55070","626855","Present"
-"Zinc;2-formyl-6-methoxyphenolate","","","","","","","","","","","","","","","","","","","","NSC638273","","COC1=CC=CC(=C1[O-])C=O.COC1=CC=CC(=C1[O-])C=O.[Zn+2]","ZKQAMPRHBAFWHV-UHFFFAOYSA-L","368020",NA,"PDBC55071","638273","Present"
-"Zinc;5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;iodide","","","","","","","","","","","","","","","","","","","","Zinc;5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;iodide","","C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)[N-]3.[Zn+2].[I-]","KUFJQUNMPRCYPL-UHFFFAOYSA-M","368851",NA,"PDBC55072","640187","Present"
-"Zinc;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide","","","","","","","","","","","","","","","","","","","","NSC640186","","C1=CC2=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9.[Zn+2]","PZGANULLXCGPFZ-UHFFFAOYSA-N","368850",NA,"PDBC55073","640186","Present"
-"Zinc;N-[(E)-1-[6-[(E)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide;diacetate","","","","","","","","","","","","","","","","","","","","Zinc;N-[(E)-1-[6-[(E)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide;diacetate","","CC(=NNC(=O)C1=CN=CC=C1)C2=NC(=CC=C2)C(=NNC(=O)C3=CN=CC=C3)C.CC(=O)[O-].CC(=O)[O-].[Zn+2]","LPGDVYAETMLLQN-LKXWJTICSA-L","24202006",NA,"PDBC55074","617564","Present"
-"Zindoxifene","","","","","","","","","","","","","","","","","","","","1H-Indol-5-ol, 2-[4-(acetyloxy)phenyl]-1-ethyl-3-methyl-...","","CCN1C2=C(C=C(C=C2)OC(=O)C)C(=C1C3=CC=C(C=C3)OC(=O)C)C","KSZGVNZSUJHOJA-UHFFFAOYSA-N","65645",NA,"PDBC55075","341952","Present"
-"Ziniolide","","","","","","","","","","","","","","","","","","","","Ziniolide","","CC1=CCC2C1CC3C(CC2=C)OC(=O)C3=C","KREYKRAJLBRHAZ-UHFFFAOYSA-N","373937",NA,"PDBC55076","650965","Present"
-"Zinniol","","","","","","","","","","","","","","","","","","","","Zinniol","","CC1=C(C=C(C(=C1OC)CO)CO)OCC=C(C)C","DUMQPTRUYCCSEZ-UHFFFAOYSA-N","87317",NA,"PDBC55077","125427","Present"
-"Ziprasidone Hydrochloride Monohydrate","","","","","","","","","","","","","","","","","","","Ziprasidone  Hydrochloride","","","C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl","ZCBZSCBNOOIHFP-UHFFFAOYSA-N","60853",NA,"PDBC55078","","Absent"
-"Zonarol","","","","","","","","","","","","","","","","","","","","Zonarol","","CC1(CCCC2(C1CCC(=C)C2CC3=C(C=CC(=C3)O)O)C)C","CPXDKDFWEZFRKT-QFUCXCTJSA-N","332671",NA,"PDBC55079","331122","Present"
-"Zonisamide","","","","","","","","","","","","","","","","","","","Zonisamide","","","C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N","UBQNRHZMVUUOMG-UHFFFAOYSA-N","5734",NA,"PDBC55080","","Absent"
-"Zorubicin hydrochloride","","","","","","","","","","","","","","","","","","","","Rubidazone","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC=CC=C6)C)O)N)O.Cl","NKFHKYQGZDAKMX-CBGHEUOKSA-N","9570560",NA,"PDBC55081","164011","Present"
-"Zotatifin","","","","","","","","","","","","","","","","","","","","eFT-226///Zotatifin","","CN(C)CC1C(C2(C(C1O)(C3=C(N=C(C=C3O2)OC)OC)O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5","QYCXWOACFWMQFO-WZWZCULESA-N","129138801",NA,"PDBC55082","818001///828584","Present"
-"Zotepine","","","","","","","","","","","","","","","","","","","Zotepine","","","CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl","HDOZVRUNCMBHFH-UHFFFAOYSA-N","5736",NA,"PDBC55083","","Absent"
-"Zuclopenthixol hydrochloride","","","","","","","","","","","","","","","","","","","","NSC64087","","C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl","BUVIOIVVDWLSMQ-CVIBNLPVSA-N","25102584",NA,"PDBC55084","64087","Present"
-"Zuihonin A","","","","","","","","","","","","","","","","","","","","Zuihonin A","","CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C","QFUXQRHAJWXPGP-BINDOVRGSA-N","338287",NA,"PDBC55085","360072","Present"
-"Zygosporin A","","","","","","","","","","","","","","","","","","","","zygosporin a","","CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1=O)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O","SDZRWUKZFQQKKV-WISUYLHISA-N","5476249",NA,"PDBC55086","209835","Present"
-"[(1'R,3S,3As,6aS,37'R)-3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',41'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetraconta-8,10,12,14,16,18,29,31,33-nonaene]-25'-yl] 3,4,5-trihydroxybenzoate","","","","","","","","","","","","","","","","","","","","[(1'R,3S,3As,6aS,37'R)-3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',41'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.13","","C1C(C2C(O1)(C3(C(=O)O2)C45CC(=O)C(O3)(C6(C4C7=C(O6)C(=C(C=C7C(=O)OC8C9C(C(COC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)O9)O)O)O)O)O)O)OC8OC(=O)C1=CC(=C(C(=C1)O)O)O)OC5=O)O)O)O)O)O)O","XCXWMHRRISFUFF-HESLTPISSA-N","385555",NA,"PDBC55087","676827","Present"
-"[(1,1,3,3-Tetraphenyldistannoxane-1,3-diyl)bis(oxy)]bis(dioxo-lambda~5~-azane)","","","","","","","","","","","","","","","","","","","","1,3-Distannoxanediol, 1,1,3,3-tetraphenyl-, dinitrate","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(O[N+](=O)[O-])O[Sn](C3=CC=CC=C3)(C4=CC=CC=C4)O[N+](=O)[O-]","FFNDSNBGBHBFNI-UHFFFAOYSA-N","16683501",NA,"PDBC55088","345311","Present"
-"[(1,5-Dihydroxy-2-oxopyrrolidin-3-yl)-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","(((1,5-dihydroxy-2-oxopyrrolidin-3-yl)phosphoryl)bis(oxy...","","CC(C)(C)C(=O)OCOP(=O)(C1CC(N(C1=O)O)O)OCOC(=O)C(C)(C)C","WMYNAUQRRMHLEA-UHFFFAOYSA-N","122515581",NA,"PDBC55089","795666","Present"
-"[(1-Acetyloxy-2-oxopiperidin-3-yl)-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","(((1-acetoxy-2-oxopiperidin-3-yl)phosphoryl)bis(oxy))bis...","","CC(=O)ON1CCCC(C1=O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C","ZNGMMPWHXKEHIF-UHFFFAOYSA-N","155807039",NA,"PDBC55090","796054","Present"
-"[(1-Amino-6-sulfonaphthalen-2-yl)oxy]acetic acid","","","","","","","","","","","","","","","","","","","","acetic acid, [(1-amino-6-sulfo-2-naphthyl)oxy]- (8ci)","","C1=CC2=C(C=CC(=C2N)OCC(=O)O)C=C1S(=O)(=O)O","XCOGAYHBZJLDOC-UHFFFAOYSA-N","226081",NA,"PDBC55091","16163","Present"
-"[(1-Methyl-2,6-diphenylpiperidin-4-ylidene)amino] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","NSC351306///NSC351687","","CC1=CC=C(C=C1)S(=O)(=O)ON=C2CC(N(C(C2)C3=CC=CC=C3)C)C4=CC=CC=C4","MTAKRODIHJFYMH-UHFFFAOYSA-N","336693",NA,"PDBC55092","351306///351687","Present"
-"[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid","","","","","","","","","","","","","","","","","","","","Acetic acid, (1-methyl-4-nitro-5-imidazolylthio)-","","CN1C=NC(=C1SCC(=O)O)[N+](=O)[O-]","TUQQNQSADKYHNI-UHFFFAOYSA-N","236058",NA,"PDBC55093","38081","Present"
-"[(10R)-6,7,11,12,12-Pentahydroxy-3,13,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,6,8,14-tetraen-19-yl]methyl 3,4,5-trihydroxybenzoate","","","","","","","","","","","","","","","","","","","","[(10R)-6,7,11,12,12-Pentahydroxy-3,13,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,6,8,14-tetraen-19-yl]methyl 3,4,5-trihydroxyben","","C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O","NUPTUAXNMUIMFS-WGNFLYABSA-N","385557",NA,"PDBC55094","676829","Present"
-"[(11-Oxo-1,2,4,5,11,11a-hexahydro[1,4]oxazepino[4,5-a]indol)-11a-yl]phosphonic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","11a-Dimethoxyphosphoryl-1,2,4,5-tetrahydro-[1,4]oxazepino[4,5-a]indol-11-one","","COP(=O)(C12CCOCCN1C3=CC=CC=C3C2=O)OC","FMNGSWIMJKVYKV-UHFFFAOYSA-N","397608",NA,"PDBC55095","705949","Present"
-"[(14E)-14-Hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","[(14E)-14-Hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate","","CC(C)(C)C(=O)OC12C(CCCCCC1=NO)C3=CC=CC=C23","FFIHQHHTIKBKEV-CAPFRKAQSA-N","9571412",NA,"PDBC55096","655293","Present"
-"[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl] thiocyanate","","","","","","","","","","","","","","","","","","","","[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl] thiocyanate","","C(#N)SC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","IYHWWIRFHIBTPC-HYXAFXHYSA-N","3005114",NA,"PDBC55097","673144","Present"
-"[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]sulfanylbenzene","","","","","","","","","","","","","","","","","","","","[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]sulfanylbenzene","","C1=CC=C(C=C1)SC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","OGKBNGLIROMCEK-NTMALXAHSA-N","1550321",NA,"PDBC55098","665104","Present"
-"[(1E,3E)-4-(Benzenesulfonyl)buta-1,3-dienyl]sulfinylbenzene","","","","","","","","","","","","","","","","","","","","[(1E,3E)-4-(Benzenesulfonyl)buta-1,3-dienyl]sulfinylbenzene","","C1=CC=C(C=C1)S(=O)C=CC=CS(=O)(=O)C2=CC=CC=C2","MMGHXXHLNDNLNB-FNCQTZNRSA-N","5468034",NA,"PDBC55099","662784","Present"
-"[(1E,3E)-4-(Benzenesulfonyl)buta-1,3-dienyl]sulfonylbenzene","","","","","","","","","","","","","","","","","","","","Benzene, 1,1'-[(1,3-butadiene-1,4-diyl)sulfonyl]bis","","C1=CC=C(C=C1)S(=O)(=O)C=CC=CS(=O)(=O)C2=CC=CC=C2","DEXCOBKOWPYHFL-FNCQTZNRSA-N","5468033",NA,"PDBC55100","662781","Present"
-"[(1E,3E)-4-Nitro-4-phenylbuta-1,3-dienyl]benzene","","","","","","","","","","","","","","","","","","","","[(1E,3E)-4-Nitro-4-phenylbuta-1,3-dienyl]benzene","","C1=CC=C(C=C1)C=CC=C(C2=CC=CC=C2)[N+](=O)[O-]","YTKOEZZUXZYTFF-NJKRNUQASA-N","54598349",NA,"PDBC55101","167268","Present"
-"[(1H-Benzimidazole-2-yl)dithio]-9H-purine","","","","","","","","","","","","","","","","","","","","[(1H-benzimidazole-2-yl)dithio]-9H-purine","","C1=CC=C2C(=C1)NC(=N2)SSC3=NC4=NC=NC=C4N3","LLPQTRKWNFVTKX-UHFFFAOYSA-N","54613148",NA,"PDBC55102","750485","Present"
-"[(1R)-1-(Chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[(1R)-1-(Chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)O)CCl)OC)OC","NRHDGIYFJJUFKN-AWEZNQCLSA-N","394856",NA,"PDBC55103","698932","Present"
-"[(1R)-1-[(2S,5S)-5-[(2S,5S)-5-[(E,1S)-1-Hydroxy-13-[(3R,5S)-5-methyl-2-oxo-3-phenylsulfanyloxolan-3-yl]tridec-5-en-3-ynyl]oxolan-2-yl]oxolan-2-yl]undecyl] acetate","","","","","","","","","","","","","","","","","","","","[(1R)-1-[(2S,5S)-5-[(2S,5S)-5-[(E,1S)-1-Hydroxy-13-[(3R,5S)-5-methyl-2-oxo-3-phenylsulfanyloxolan-3-yl]tridec-5-en-3-ynyl]oxolan-2-yl]oxolan-2-yl]undecyl] acetate","","CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CC#CC=CCCCCCCCC3(CC(OC3=O)C)SC4=CC=CC=C4)O)OC(=O)C","NUXTYTNPFRWHKL-HDGUODTPSA-N","5459222",NA,"PDBC55104","651806","Present"
-"[(1R)-1-[[(2S)-2-Amino-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutyl]boronic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","Boronic acid, [1-[[2-amino-3-(1-naphthalenyl)- 1-oxoprop...","","B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)N)(O)O.Cl","XNHKOPOMEWQJJQ-QJHJCNPRSA-N","387440",NA,"PDBC55105","681229","Present"
-"[(1R)-1-[[(2S)-3-(4-Fluorophenyl)-2-(pyridine-2-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid","","","","","","","","","","","","","","","","","","","","Benzenepropanamide, N-(1-borono-3-methylbutyl)-4-fluoro-...","","B(C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=N2)(O)O","QCHDBUKWZDCJFY-ROUUACIJSA-N","388337",NA,"PDBC55106","683098","Present"
-"[(1R)-2-Benzamidocyclopentyl] benzoate","","","","","","","","","","","","","","","","","","","","NSC617634","","C1CC(C(C1)OC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3","HQUSUEHNRFYJTA-ZYMOGRSISA-N","357959",NA,"PDBC55107","617634","Present"
-"[(1R)-3-Methyl-1-(3-naphthalen-1-ylpropanoylamino)butyl]boronic acid","","","","","","","","","","","","","","","","","","","","Boronic acid, [1-[[3-(1-naphthalenyl)-1-oxopropyl]amino]...","","B(C(CC(C)C)NC(=O)CCC1=CC=CC2=CC=CC=C21)(O)O","QKJSPLWXUASQON-KRWDZBQOSA-N","387443",NA,"PDBC55108","681234","Present"
-"[(1R)-3-Methyl-1-(3-phenylpropanoylamino)butyl]boronic acid","","","","","","","","","","","","","","","","","","","","{(1r)-3-Methyl-1-[(3-phenylpropanoyl)amino]butyl}boronic acid","","B(C(CC(C)C)NC(=O)CCC1=CC=CC=C1)(O)O","YOBVOZZROFMEJG-ZDUSSCGKSA-N","387448",NA,"PDBC55109","681242","Present"
-"[(1R)-3-Methyl-1-[[(2S)-2-(methylamino)-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid;hydrochloride","","","","","","","","","","","","","","","","","","","","Boronic acid, [1-[[3-(1-naphthalenyl)-2-(methylamino)- 1...","","B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC)(O)O.Cl","WAMUQAMOLUMIBL-APTPAJQOSA-N","387445",NA,"PDBC55110","681237","Present"
-"[(1R)-3-Methyl-1-[[(2S)-2-(morpholine-4-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid","","","","","","","","","","","","","","","","","","","","Boronic acid, [1-[2-[(4-morpholinylcarbonyl]amino]- 3-(1...","","B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)N3CCOCC3)(O)O","MQMHIOPMTAJOHV-SFTDATJTSA-N","387437",NA,"PDBC55111","681226","Present"
-"[(1R)-3-Methyl-1-[[(2S)-3-naphthalen-1-yl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid","","","","","","","","","","","","","","","","","","","","Boronic acid, [1-[[3-(1-naphthalenyl)-1-oxo- 2-[(8-quino...","","B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)(O)O","RCTFPTUYPPNJBH-ZCYQVOJMSA-N","387439",NA,"PDBC55112","681228","Present"
-"[(1R)-3-Methyl-1-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butyl]boronic acid","","","","","","","","","","","","","","","","","","","","Benzenepropanamide, N-(1-borono-3-methylbutyl)- .alpha.-...","","B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2)(O)O","ALDKKIACGNGVQW-SFTDATJTSA-N","388336",NA,"PDBC55113","683094","Present"
-"[(1R)-5,7-Dimethyl-4-oxocyclohept-2-en-1-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1R)-5,7-Dimethyl-4-oxocyclohept-2-en-1-yl] acetate","","CC1CC(C(=O)C=CC1OC(=O)C)C","FJGQPWPVHHSYPI-AYVLWNQUSA-N","359307",NA,"PDBC55114","620057","Present"
-"[(1R)-5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[(1R)-5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl)OC)OC","BMQWJFCUALXVCK-AWEZNQCLSA-N","6712547",NA,"PDBC55115","696127","Present"
-"[(1R,10S,11S,13R,14S,17S,19R,20S)-1,10,14,19-Tetramethyl-6-oxo-7-oxahexacyclo[11.9.0.02,10.05,9.014,20.017,19]docosa-2,5(9)-dien-11-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1R,10S,11S,13R,14S,17S,19R,20S)-1,10,14,19-Tetramethyl-6-oxo-7-oxahexacyclo[11.9.0.02,10.05,9.014,20.017,19]docosa-2,5(9)-dien-11-yl] acetate","","CC(=O)OC1CC2C3(CCC4CC4(C3CCC2(C5=CCC6=C(C15C)COC6=O)C)C)C","XRSRBUIAMJVVNL-WYWOZRIRSA-N","406950",NA,"PDBC55116","725282","Present"
-"[(1R,11S,12S)-11-(3,4,5-Trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl]methanol","","","","","","","","","","","","","","","","","","","","[(1R,11S,12S)-11-(3,4,5-Trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl]methanol","","COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO)C4=CC5=C(C=C24)OCO5","GAPFRQMOPFLDIS-ZSOWPOMHSA-N","54611494",NA,"PDBC55117","708409","Present"
-"[(1R,2R)-2-Azanidylcyclohexyl]azanide;[hydroxy(oxido)phosphoryl] hydrogen phosphate;platinum(4+)","","","","","","","","","","","","","","","","","","","","(trans-1,2-Cyclohexanediamine)(dihydrogen pyrophosphato)...///PT-112;Pyrodach-2","","C1CCC(C(C1)[NH-])[NH-].OP(=O)([O-])OP(=O)(O)[O-].[Pt+4]","DGZSCXLKVAVLIY-BNTLRKBRSA-L","155807382",NA,"PDBC55118","756765///785594","Present"
-"[(1R,2R,3Ar,4S,5S,6E,9S,10R,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropoxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","[(1R,2R,3Ar,4S,5S,6E,9S,10R,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropoxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annul","","CC1C=CC(C(C(C(C(=C)C(C2C(C(CC2(C1OC(=O)C)O)(C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OCC(C)C)O)OC(=O)C4=CN=CC=C4)(C)C","IRBRSTWNGIELEA-MZKXOQCGSA-N","5469445",NA,"PDBC55119","688235","Present"
-"[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-Pentaacetyloxy-4,8,11,11-tetramethyl-14-(2-methylpropoxy)-7,18-dioxo-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-Pentaacetyloxy-4,8,11,11-tetramethyl-14-(2-methylpropoxy)-7,18-dioxo-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate","","CC1C=CC(C(C(C(C2(CCC(=O)OC2C3C(C(CC3(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C4=CC=CC=C4)OCC(C)C)OC(=O)C)OC(=O)C)(C)C","HMRXCGBDIXAMAJ-KBZPALJCSA-N","5469441",NA,"PDBC55120","688228","Present"
-"[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-Pentaacetyloxy-4,8,11,11-tetramethyl-7,18-dioxo-14-propoxy-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-Pentaacetyloxy-4,8,11,11-tetramethyl-7,18-dioxo-14-propoxy-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate","","CCCOC1C(C(C(C=CC(C(=O)C2(CC(C(C2C3C1(CCC(=O)O3)OC(=O)C4=CC=CC=C4)OC(=O)C)(C)OC(=O)C)OC(=O)C)C)(C)C)OC(=O)C)OC(=O)C","UZKWYPOUTRMHOV-WEUYMDICSA-N","5469442",NA,"PDBC55121","688229","Present"
-"[(1R,2R,3R,4S,5S,7R,8R,9S,10S,11S,14R)-1,8,11-Triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate","","","","","","","","","","","","","","","","","","","","[(1R,2R,3R,4S,5S,7R,8R,9S,10S,11S,14R)-1,8,11-Triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate","","CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5C(C(C(C5=O)(C)C)OC(=O)C)C(C4)(C2OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O","RCVCMLLRUPYTNC-QHAGBCAISA-N","11972629",NA,"PDBC55122","688239","Present"
-"[(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7-Diacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-4-propoxy-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","[(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7-Diacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-4-propoxy-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate","","CCCOC1C(CC2(C1C(C34COC(C3C(C=CC4OC(=O)C5=CN=CC=C5)C(=C)C)(C2OC(=O)C6=CN=CC=C6)C)OC(=O)C)OC(=O)C)C","BJVNKFVIGCVQAY-WJGXHITKSA-N","11972627",NA,"PDBC55123","688218","Present"
-"[(1R,2R,4E,5S)-4-Hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,6'-oxane]-3'-yl] 3-methylbutanoate","","","","","","","","","","","","","","","","","","","","[(1R,2R,4E,5S)-4-Hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,6'-oxane]-3'-yl] 3-methylbutanoate","","CC#CC#CC=C1C2C(O2)C3(O1)CCC(CO3)OC(=O)CC(C)C","IZOBIZVXEKNCNN-SWYAMLMVSA-N","5471460",NA,"PDBC55124","711512","Present"
-"[(1R,2R,4E,5S)-4-Hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,6'-oxane]-3'-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1R,2R,4E,5S)-4-Hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,6'-oxane]-3'-yl] acetate","","CC#CC#CC=C1C2C(O2)C3(O1)CCC(CO3)OC(=O)C","ZDCLDOZKWHHBMR-JQCRUYAESA-N","5471461",NA,"PDBC55125","711513","Present"
-"[(1R,2R,4S,8R,9S,10R,15S)-9-Hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-2-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1R,2R,4S,8R,9S,10R,15S)-9-Hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-2-yl] acetate","","CC1CCCC(=C)C2CCC(O2)(C(CC3C(C1O)OC(=O)C3=C)OC(=O)C)C","VZRGSEITNXYROX-GRLGMJMGSA-N","6712445",NA,"PDBC55126","687103","Present"
-"[(1R,2R,5S,8R,9R,10R,13R,14R,20R)-1,2,14,19,19-Pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosan-5-yl]methanamine","","","","","","","","","","","","","","","","","","","","3-Deoxy-3-homo-3-aza-lup-20(29)-en-28-amine","","CC(=C)C1CCC2(C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C)CN","FHRYBCZJQMOTJP-DRUCTHHFSA-N","155810772",NA,"PDBC55127","797791","Present"
-"[(1R,2R,5S,9R,10R,11S,14R,15R,21R)-1,2,15,20,20-Pentamethyl-9-prop-1-en-2-yl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricosan-5-yl]methyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","3-deoxy-3-homo-3-aza-lup-20(29)-en-28-tosylate","","CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCC(C2C4CCC5C6(CCCNC(C6CCC5(C4(CC3)C)C)(C)C)C)C(=C)C","AIAPSJYICYCGEU-PXRPQHSVSA-N","155806440",NA,"PDBC55128","801870","Present"
-"[(1R,2S)-2-(Methylamino)-1-phenylpropyl] [(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[(1R,2S)-2-(Methylamino)-1-phenylpropyl] [(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate","","CC(C(C1=CC=CC=C1)OP(=O)(O)OC2C(C(C(C(C2O)O)O)O)O)NC","FWECCZDKCBTCGU-LLOIQGMPSA-N","5470862",NA,"PDBC55129","705951","Present"
-"[(1R,2S,10S,13S)-13-Hydroxy-2,6,6-trimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate","","","","","","","","","","","","","","","","","","","","[(1R,2S,10S,13S)-13-Hydroxy-2,6,6-trimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate","","CC(=O)OCC1(CCC23CC1CC2CCC4C3(CCCC4(C)C)C)O","DDKAEQWOGQNVRK-KRKNJPAHSA-N","5459205",NA,"PDBC55130","646013","Present"
-"[(1R,2S,10S,13S,14R,17S)-7-Chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1R,2S,10S,13S,14R,17S)-7-Chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C4N=C(C=C5)Cl)C)C","KELDGAUJYYNWAF-MMJASOHGSA-N","399256",NA,"PDBC55131","709948","Present"
-"[(1R,2S,10S,13S,14R,17S)-8-Acetyl-6-cyano-7-imino-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,19-trien-17-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1R,2S,10S,13S,14R,17S)-8-Acetyl-6-cyano-7-imino-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,19-trien-17-yl] acetate","","CC(=O)N1C2=C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C)C=C(C1=N)C#N","LYMOVALYYNOQPM-SXUTZIHKSA-N","399258",NA,"PDBC55132","709950","Present"
-"[(1R,2S,4S,5R,7S,8R)-4,5,7-Triacetyloxy-2-hydroxy-8-(2-hydroxy-2-methylpropanoyl)oxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[(1R,2S,4S,5R,7S,8R)-4,5,7-Triacetyloxy-2-hydroxy-8-(2-hydroxy-2-methylpropanoyl)oxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl benzoate","","CC(=O)OC1CC(C23CC(C(C(C2(C1OC(=O)C)COC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C(C)(C)O)C(O3)(C)C)(C)O","NGBFLMQFMSLTEP-PZKGZXGESA-N","397629",NA,"PDBC55133","705971","Present"
-"[(1R,2S,4S,6S,8S,9S,13S,14S,16S,19S)-6,9,14-Trihydroxy-10,14-dimethyl-5-methylidene-18-oxo-7,17,20-trioxahexacyclo[11.5.1.19,12.01,12.04,8.016,19]icos-10-en-2-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1R,2S,4S,6S,8S,9S,13S,14S,16S,19S)-6,9,14-Trihydroxy-10,14-dimethyl-5-methylidene-18-oxo-7,17,20-trioxahexacyclo[11.5.1.19,12.01,12.04,8.016,19]icos-10-en-2-yl] acetate","","CC1=CC23C4C5C2(C(CC6C(C1(O3)O)OC(C6=C)O)OC(=O)C)C(=O)OC5CC4(C)O","BILSMHBWRCOPGJ-VKCINZSHSA-N","24204112",NA,"PDBC55134","730661","Present"
-"[(1R,2S,5S,8R,9S,10S,14R,15R,21R)-1,2,8,9,15,20,20-Heptamethyl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-11-en-5-yl]methanol","","","","","","","","","","","","","","","","","","","","3-Deoxy-3-homo-3-aza-12(13)-en-urs-28-ol","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCCNC5(C)C)C)C)C2C1C)C)CO","YTQFRUVANXVZDI-PQSOHBQGSA-N","155808606",NA,"PDBC55135","797816","Present"
-"[(1R,2S,9S,12S,13R,16S)-7,9,13-Trimethyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1R,2S,9S,12S,13R,16S)-7,9,13-Trimethyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-yl] acetate","","CC1=C2C(=NN1)CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C","HIZJMJPAOLQSHZ-ALOMXMGUSA-N","399259",NA,"PDBC55136","709951","Present"
-"[(1R,3R,4S)-4,7,7-Trimethyl-3-bicyclo[2.2.1]heptanyl] 2-thiocyanatoacetate","","","","","","","","","","","","","","","","","","","","[(1S,2R,4R)-1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl] 2-thiocyanatoacetate","","CC1(C2CCC1(C(C2)OC(=O)CSC#N)C)C","IXEVGHXRXDBAOB-GIPNMCIBSA-N","220595",NA,"PDBC55137","3535","Present"
-"[(1R,3S)-3-[(2-Amino-6-chloropurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol","","","","","","","","","","","","","","","","","","","","{(1r,3s)-3-[(2-Amino-6-chloro-9h-purin-9-yl)methyl]-1,2,2-trimethylcyclopentyl}methanol","","CC1(C(CCC1(C)CO)CN2C=NC3=C2N=C(N=C3Cl)N)C","OMDWVCNJBDBBFF-PSLIRLAXSA-N","395604",NA,"PDBC55138","700349","Present"
-"[(1R,3S)-3-[(5,7-Diaminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol","","","","","","","","","","","","","","","","","","","","[(1R,3S)-3-[(5,7-Diaminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol","","C1CC(CC1CN2C3=NC(=NC(=C3N=N2)N)N)CO","NHYHHQFGWUUBRE-NKWVEPMBSA-N","394300",NA,"PDBC55139","697667","Present"
-"[(1R,3S)-3-[(6-Aminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol","","","","","","","","","","","","","","","","","","","","[(1r,3s)-3-[(6-Aminopurin-9-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol","","CC1(C(CCC1(C)CO)CN2C=NC3=C(N=CN=C32)N)C","JKIFEAHPBWLYIA-BMIGLBTASA-N","399561",NA,"PDBC55140","710435","Present"
-"[(1R,3S)-3-[(7-Aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol","","","","","","","","","","","","","","","","","","","","[(1r,3s)-3-[(7-Aminotriazolo[5,4-d]pyrimidin-3-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol","","CC1(C(CCC1(C)CO)CN2C3=NC=NC(=C3N=N2)N)C","WYFCYAWADTZWLO-OTYXRUKQSA-N","395606",NA,"PDBC55141","700351","Present"
-"[(1R,3S,4R,5R,7S,8S,9R,10E,12R,14R)-4,9-Diacetyloxy-3,6,6,10,14-pentamethyl-2,13-dioxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (Z)-2-methylbut-2-enoate","","","","","","","","","","","","","","","","","","","","[(1R,3S,4R,5R,7S,8S,9R,10E,12R,14R)-4,9-Diacetyloxy-3,6,6,10,14-pentamethyl-2,13-dioxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (Z)-2-methylbut-2-enoate","","CC=C(C)C(=O)OC1C2C(C2(C)C)C(C(C(=O)C34CC(C(=O)C3(O4)C=C(C1OC(=O)C)C)C)C)OC(=O)C","PGDTVKODHSMCOW-ZSTUALOTSA-N","5469438",NA,"PDBC55142","688219","Present"
-"[(1R,4Ar,4bS,7R,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl]methanamine","","","","","","","","","","","","","","","","","","","","[(1R,4Ar,4bS,7R,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl]methanamine","","CC(C)C1CCC2C(=C1)CCC3C2(CCCC3(C)CN)C","ZBMIXHNTJVFSRN-ONSCTEFMSA-N","221538",NA,"PDBC55143","6372","Present"
-"[(1R,4Ar,4bS,7S,8aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanamine","","","","","","","","","","","","","","","","","","","","[(1R,4Ar,4bS,7S,8aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanamine","","CC(C)C1CCC2C(C1)CCC3C2(CCCC3(C)CN)C","XFTYNVYVQAMCAC-RPZLJYRGSA-N","221540",NA,"PDBC55144","6377","Present"
-"[(1R,4E,7S,10E,14S)-10,14-Dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[(1R,4E,7S,10E,14S)-10,14-Dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate","","CC1=CCCC2(C(O2)CCC(=CCC(CC1)C(=C)C)COC(=O)C)C","SQOZKUOMCHPMST-XWSUTYDESA-N","24203412",NA,"PDBC55145","727922","Present"
-"[(1R,4S)-4-(1-Ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1r,4s)-4-(1-Ethoxy-2-iodo-ethoxy)-1-cyclopent-2-enyl] acetate","","CCOC(CI)OC1CC(C=C1)OC(=O)C","MVJVDGIOLQOBLN-MTULOOOASA-N","394633",NA,"PDBC55146","698209","Present"
-"[(1R,4Z,7S,10E,14R)-10,14-Dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl (2R)-2-acetyloxy-3-benzamido-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","[(1R,4Z,7S,10E,14R)-10,14-Dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl (2R)-2-acetyloxy-3-benzamido-3-phenylpropanoate","","CC1=CCCC2(C(O2)CCC(=CCC(CC1)C(=C)C)COC(=O)C(C(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)OC(=O)C)C","SHGUCLXWOUNQEK-MBWMOMOUSA-N","54612709",NA,"PDBC55147","742313","Present"
-"[(1R,5R,8S,12R,13R)-1,5-Dimethyl-10-(trifluoromethyl)-11, 14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl[1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(trifluorom ethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hex adec-9-en-9-yl]methyl ether","","","","","","","","","","","","","","","","","","","","[(1R,4S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)...","","CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)COCC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F","CJEILTMXMLELJB-YZCHWQJXSA-N","54612585",NA,"PDBC55148","724778","Present"
-"[(1R,5S,8R,9S,10S,13S,14S,17S)-1-Methyl-3-oxo-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl] acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(1R,5S,8R,9S,10S,13S,14S,17S)-1-Methyl-3-oxo-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl] acridine-4-carboxylate","","CC1CC(=O)CC2C1C3CCC4C(C3CC2)CCC4OC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65","BVBMXURPKQELKP-BRPOORMSSA-N","397509",NA,"PDBC55149","705635","Present"
-"[(1R,7R)-7-Ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[(1R,7R)-7-Ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl acetate","","CC(=O)OCC1(CCCC2(C1CCC3=C2CCC(C3)(C)C=C)C)C","BGKZOBYFXNGEHO-QSRFUDQGSA-N","6711896",NA,"PDBC55150","646020","Present"
-"[(1S)-11-Oxo-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,16-tetraen-18-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S)-11-Oxo-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,16-tetraen-18-yl] acetate","","CC(=O)OC1C=CC2CCN3C2C1C4=CC5=C(C=C4C3=O)OCO5","CUIMLFHJPFDAKU-NGNMIGBESA-N","375351",NA,"PDBC55151","654976","Present"
-"[(1S)-18-Acetyloxy-11-oxo-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S)-18-Acetyloxy-11-oxo-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate","","CC(=O)OC1CC2CCN3C2C(C1OC(=O)C)C4=CC5=C(C=C4C3=O)OCO5","UTYMBBXCRQVQGX-OGJYGVRYSA-N","375353",NA,"PDBC55152","654978","Present"
-"[(1S)-2,5-Dimethyl-4-oxocyclohexyl] carbamate","","","","","","","","","","","","","","","","","","","","[(1S)-2,5-Dimethyl-4-oxocyclohexyl] carbamate","","CC1CC(C(CC1=O)C)OC(=O)N","CEFUUNUXZWCXMB-QIECLKSESA-N","359574",NA,"PDBC55153","620566","Present"
-"[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxynaphthalene-1-carboxylate","","","","","","","","","","","","","","","","","","","","[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxynaphthalene-1-carboxylate","","CC1(CO1)C(C(=O)N)OC(=O)C2=CC(=CC3=CC=CC=C32)OC","GTVDXIMMFXZZQK-PBHICJAKSA-N","24203159",NA,"PDBC55154","727013","Present"
-"[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 5-methylnaphthalene-1-carboxylate","","","","","","","","","","","","","","","","","","","","[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 5-methylnaphthalene-1-carboxylate","","CC1=C2C=CC=C(C2=CC=C1)C(=O)OC(C(=O)N)C3(CO3)C","RNBMYKNOSKPLJT-PBHICJAKSA-N","24203160",NA,"PDBC55155","727015","Present"
-"[(1S)-2-[5-[[(2S)-2-(3-Methoxy-5-methylnaphthalene-1-carbonyl)oxy-2-[(2S)-2-methyloxiran-2-yl]acetyl]amino]pentylamino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate","","","","","","","","","","","","","","","","","","","","[(1S)-2-[5-[[(2S)-2-(3-Methoxy-5-methylnaphthalene-1-carbonyl)oxy-2-[(2S)-2-methyloxiran-2-yl]acetyl]amino]pentylamino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxy","","CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)NCCCCCNC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC)C6(CO6)C)OC","JXFBJCXXUXSPLR-HLMMNVQFSA-N","24204577",NA,"PDBC55156","732225","Present"
-"[(1S)-3-Methyl-1-[[(2R)-2-(morpholine-4-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid","","","","","","","","","","","","","","","","","","","","[(1S)-3-Methyl-1-[[(2R)-2-(morpholine-4-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid","","B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)N3CCOCC3)(O)O","MQMHIOPMTAJOHV-NHCUHLMSSA-N","387438",NA,"PDBC55157","681227","Present"
-"[(1S)-5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","1H-Benz[e]indol-5-amine, 1-(chloromethyl)-2,3-dihydro- 3...","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl)OC)OC","BMQWJFCUALXVCK-CQSZACIVSA-N","6712548",NA,"PDBC55158","696128","Present"
-"[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-Acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-Acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-ox","","CC(=O)C1=COCC2C1CC3C4=C(CC2N3C)C5=C(N4C)C=C(C(=C5)CC6C7CC8C9=C(CC(C7COC6(C)OC(=O)C)N8C)C1=CC=CC=C1N9C)OC","REOIONKDLKREKD-FMOGNJRXSA-N","403786",NA,"PDBC55159","719263","Present"
-"[(1S,17S)-17-Hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S,17S)-17-Hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] acetate","","CC(=O)OC1C(C=C2CCN3C2C1C4=CC5=C(C=C4C3)OCO5)O","BIGUPJIJZYZJMV-WSTOCAFGSA-N","375365",NA,"PDBC55160","654989","Present"
-"[(1S,17S)-18-Acetyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S,17S)-18-Acetyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate","","CC(=O)OC1CC2CCN3C2C(C1OC(=O)C)C4=CC5=C(C=C4C3)OCO5","IUKYXZADSGGCJJ-KBHPZEPYSA-N","375354",NA,"PDBC55161","654979","Present"
-"[(1S,2R,10S,14R)-15-[(2R)-4,5-Dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate","","","","","","","","","","","","","","","","","","","","[(1S,2R,10S,14R)-15-[(2R)-4,5-Dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate","","CC(CC(C(C(=C)C)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)CO)O)O)O)C","JATVAKFDFYKBLA-PYZQOAFNSA-N","6712282",NA,"PDBC55162","664907","Present"
-"[(1S,2S)-2-Azanidylcyclohexyl]azanide;[hydroxy(oxido)phosphoryl] hydrogen phosphate;platinum(4+);dihydroxide","","","","","","","","","","","","","","","","","","","","(trans-1,2-Cyclohexanediamine)-trans-dihydroxo(dihydroge...","","C1CCC(C(C1)[NH-])[NH-].[OH-].[OH-].OP(=O)([O-])OP(=O)(O)[O-].[Pt+4]","YCGRQYYMGFDGEA-UKVIHGRNSA-J","155814405",NA,"PDBC55163","756766","Present"
-"[(1S,2S,3Ar,4R,4aS,4bS,6R,8R,8aR,9aR,10R,10aR)-4,6,8,8a,10-pentaacetyloxy-3a-hydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3Ar,4R,4aS,4bS,6R,8R,8aR,9aR,10R,10aR)-4,6,8,8a,10-pentaacetyloxy-3a-hydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate","","CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5(C(C4(C2OC(=O)C)C)CC(CC5OC(=O)C)(C)OC(=O)C)OC(=O)C)C)OC(=O)C)O","IKVFCMXVZDVCLH-HCZDEFTCSA-N","390634",NA,"PDBC55164","688236","Present"
-"[(1S,2S,3Ar,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropoxy)-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylbutanoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3Ar,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropoxy)-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-","","CCC(C)C(=O)OC1C(C(=C)C(C2C(C(CC2(C(=O)C(C=CC(C1O)(C)C)C)O)C)O)OC(=O)C(C)CC)OCC(C)C","IPTVQTRTKLELPQ-LKQMHBITSA-N","5469439",NA,"PDBC55165","688220","Present"
-"[(1S,2S,3As,5R,6E,10R,11S,13R,13aR)-11,13-diacetyloxy-2,3a,5,8,8-pentamethyl-12-methylidene-10-(2-methylpropoxy)-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3As,5R,6E,10R,11S,13R,13aR)-11,13-diacetyloxy-2,3a,5,8,8-pentamethyl-12-methylidene-10-(2-methylpropoxy)-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] acetate","","CC1CC2(C(C1OC(=O)C)C(C(=C)C(C(C(=O)C(C=CC(C2=O)C)(C)C)OCC(C)C)OC(=O)C)OC(=O)C)C","VRBCJBWJOSXAKX-DREAKLHESA-N","5469446",NA,"PDBC55166","688238","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[1","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CO5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C","ALYCNCTXENAHTH-MHHMHYQJSA-N","380866",NA,"PDBC55167","666607","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(2,3-dihydroxy-2-methylbutanoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(2,3-dihydroxy-2-methylbutanoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C(C)(C(C)O)O)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C","LGBYWBOICYQBHE-QCMCBIADSA-N","380865",NA,"PDBC55168","666606","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-naphthalen-2-ylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-naphthalen-2-ylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-1","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC6=CC=CC=C6C=C5)NC(=O)C7=CC=CC=C7)O)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)OC(=O)C","GUHNFDXVLMYXPY-TWLIEMHASA-N","380867",NA,"PDBC55169","666608","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-15-[(2R,3S)-2-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoyl]oxy-3-benzamido-3-phenylpropanoyl]oxy-4,12-diacetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] 4-[[(5S,9R)-9-(4-hydroxy-3-methoxy-5-methylphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-15-[(2R,3S)-2-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoyl]oxy-3-b","","CC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)N=CC6=CC=C(C=C6)C(=O)OC7CC8C(CO8)(C9C7(C(=O)C(C1=C(C(CC(C9OC(=O)C2=CC=CC=C2)(C1(C)C)O)OC(=O)C(C(C1=CC=CC=C1)NC(=O)C1=CC=CC=C1)OC(=O)C1=CC=C(C=C1)C=NC1C2COC(=O)C2C(C2=CC3=C(C=C12)OCO3)C1=CC(=C(C(=C1)OC)O)OC)C)OC(=O)C)C)OC(=O)C","GNNDBXCALCOABJ-WVQIMNRWSA-N","16129932",NA,"PDBC55170","705436","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-(3-methylbutanoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-(3-methylbutanoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)CC(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C","GLNMJUMVLZLAFL-IMIIKSCNSA-N","6712271",NA,"PDBC55171","664404","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] cyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6CCCCC6)(CO4)OC(=O)C)O)C)OC(=O)C","FFFCFIXCAKEPHD-OAGWZNDDSA-N","383475",NA,"PDBC55172","671867","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(decanoylamino)-3-(furan-2-yl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(decanoylamino)-3-(furan-2-yl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hep","","CCCCCCCCCC(=O)NC(C1=CC=CO1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O","IBZLMTMPCWQAIN-AKSVVSKXSA-N","383473",NA,"PDBC55173","671865","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-methoxybenzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyc","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CO5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC(=CC=C6)OC)(CO4)OC(=O)C)O)C)OC(=O)C","MWSYKNKNMMTOJD-BGKJQISDSA-N","384478",NA,"PDBC55174","674282","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-3-(hexanoylamino)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-3-(hexanoylamino)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hep","","CCCCCC(=O)NC(C1=CC=CO1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O","NQBYOXCPYUHXJW-MNLIZOKASA-N","383472",NA,"PDBC55175","671864","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(cyclohexanecarbonylamino)-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] cyclohexanecarboxylate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(cyclohexanecarbonylamino)-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5CCCCC5)NC(=O)C6CCCCC6)O)O)OC(=O)C7CCCCC7)(CO4)OC(=O)C)O)C)OC(=O)C","KEJNFYZOQVPCEX-MZXODVADSA-N","383477",NA,"PDBC55176","671869","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(furan-2-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(furan-2-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CO6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","OZLOKBVNWFMQFL-MHHARFCSSA-N","384060",NA,"PDBC55177","673185","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(furan-3-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(furan-3-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=COC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","JKNUSPYZNOLBAF-MHHARFCSSA-N","381595",NA,"PDBC55178","668404","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(3-azidobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(3-azidobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)N=[N+]=[N-])O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","SEFFOEPUGYGHPV-MZXODVADSA-N","5468574",NA,"PDBC55179","671871","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(4-aminobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(4-aminobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)N)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","MRLCSEIPLWDUPY-MZXODVADSA-N","384067",NA,"PDBC55180","673192","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-(3,4-dihydroxybutoxycarbonyloxy)-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-(3,4-dihydroxybutoxycarbonyloxy)-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)OCCC(CO)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","OVBWLQLJASFROW-POVJGWSTSA-N","390988",NA,"PDBC55181","689292","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(2-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(2-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hepta","","CC1=CC=CC=C1C(C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O)NC(=O)C7=CC=CC=C7","GPXXCBCOKZSKIT-JBTWBBNCSA-N","383478",NA,"PDBC55182","671870","Present"
-"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-(3,4-dihydroxybutoxycarbonyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-(3,4-dihydroxybutoxycarbonyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)OCCC(CO)O)C)OC(=O)C","UOQOUSCNIBTKFT-POVJGWSTSA-N","390987",NA,"PDBC55183","689291","Present"
-"[(1S,2S,4R,7E,11S)-4-Methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[8-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonylamino]octyl]carbamate","","","","","","","","","","","","","","","","","","","","bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-5-yl)methyl) octane-1,8-diyldicarbamate","","CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCCCCCCCNC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","PBCYNJBBMUYAIG-JNMFGIBUSA-N","121390743",NA,"PDBC55184","780932","Present"
-"[(1S,3Br,9aR,11aS)-8-cyano-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S,3Br,9aR,11aS)-8-cyano-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl] acetate","","CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(C(=O)N4)C#N)C)C","YOKGUUDIKZCAHM-TZNDETSFSA-N","379354",NA,"PDBC55185","663900","Present"
-"[(1S,3R,13S,14R,15R)-3-Hydroxy-9,13-dimethyl-18-methylidene-17-oxospiro[8,16-dioxatricyclo[13.3.0.07,9]octadecane-4,2'-oxirane]-14-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S,3R,13S,14R,15R)-3-Hydroxy-9,13-dimethyl-18-methylidene-17-oxospiro[8,16-dioxatricyclo[13.3.0.07,9]octadecane-4,2'-oxirane]-14-yl] acetate","","CC1CCCC2(C(O2)CCC3(CO3)C(CC4C(C1OC(=O)C)OC(=O)C4=C)O)C","HEYHFTKRUGDUMY-KVBDNKRGSA-N","24205279",NA,"PDBC55186","734916","Present"
-"[(1S,3R,4R)-6,8-Dioxo-2,7-dioxatetracyclo[8.3.0.01,3.05,9]tridecan-4-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S,3R,4R)-6,8-Dioxo-2,7-dioxatetracyclo[8.3.0.01,3.05,9]tridecan-4-yl] acetate","","CC(=O)OC1C2C(C3CCCC34C1O4)C(=O)OC2=O","WZSJQZZTACNZPV-MEGYHEJESA-N","359229",NA,"PDBC55187","619938","Present"
-"[(1S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(3S)-3-(2,2-dimethylpropanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(3S)-3-(2,2-dimethylpropanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptad","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C","KNOHTDDBTZZQSM-MORJDCNNSA-N","6712269",NA,"PDBC55188","664402","Present"
-"[(1S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(3S)-3-(3,3-dimethylbutanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(3S)-3-(3,3-dimethylbutanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hep","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)CC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C","YGLFDWOOFAIXQJ-UJPCJXGTSA-N","6712270",NA,"PDBC55189","664403","Present"
-"[(1S,3R,5R,8E,13S,14R,15R)-5,9,13-Trimethyl-17-oxo-18-(phenylsulfanylmethyl)-4,16-dioxatricyclo[13.3.0.03,5]octadec-8-en-14-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S,3R,5R,8E,13S,14R,15R)-5,9,13-Trimethyl-17-oxo-18-(phenylsulfanylmethyl)-4,16-dioxatricyclo[13.3.0.03,5]octadec-8-en-14-yl] acetate","","CC1CCCC(=CCCC2(C(O2)CC3C(C(=O)OC3C1OC(=O)C)CSC4=CC=CC=C4)C)C","ZZZGBNIZPJLASR-NFNCYGQMSA-N","45029453",NA,"PDBC55190","746840","Present"
-"[(1S,4As,5R,6S,8aS)-5-[(2-chloro-3,5-dimethoxyphenyl)methyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methanol","","","","","","","","","","","","","","","","","","","","[(1S,4As,5R,6S,8aS)-5-[(2-chloro-3,5-dimethoxyphenyl)methyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methanol","","CC1CCC2(C(CCCC2C1(C)CC3=C(C(=CC(=C3)OC)OC)Cl)CO)C","NDYBDDJELIRVDM-ANIWYVHRSA-N","402193",NA,"PDBC55191","716060","Present"
-"[(1S,4E,6S,10E,14S)-6-Hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[(1S,4E,6S,10E,14S)-6-Hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate","","CC1=CCCC2(C(O2)CCC(=CC(C(CC1)C(=C)C)O)COC(=O)C)C","XHPIEOZMYVAMEY-LJEZSRFVSA-N","5469363",NA,"PDBC55192","687105","Present"
-"[(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-(cyclopenten-1-yl)acetate","","","","","","","","","","","","","","","","","","","","[(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-(cyclopenten-1-yl)acetate","","CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)OC(=O)CC6=CCCC6","XSRNEJBEOCYPKB-SUTSTRPNSA-N","392733",NA,"PDBC55193","693539","Present"
-"[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-hydroxy-2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-hydroxy-2,2-dimethylpropanoate","","CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)OC(=O)C(C)(C)CO","KOIREGUAEMHXSP-VRWZWJKZSA-N","390662",NA,"PDBC55194","688274","Present"
-"[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-7-(Acetyloxymethyl)-5,6-dihydroxy-3,11,14-trimethyl-11-[(Z)-2-methylbut-2-enoyl]oxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate","","","","","","","","","","","","","","","","","","","","[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-7-(Acetyloxymethyl)-5,6-dihydroxy-3,11,14-trimethyl-11-[(Z)-2-methylbut-2-enoyl]oxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoa","","CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)OC(=O)C(=CC)C)CC3C)COC(=O)C)O)O)C","GJRRUWXAOKVFEV-AFWHDFIPSA-N","54608453",NA,"PDBC55195","688230","Present"
-"[(1S,4S,7R,10S,12R)-4-Acetyloxy-15-[(3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,4S,7R,10S,12R)-4-Acetyloxy-15-[(3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.0","","CCCCCC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)OC6C(C(C(CO6)O)O)O)(C(=O)C(C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O","XGWGQEYABFGJID-DUDRIPDSSA-N","6712194",NA,"PDBC55196","658831","Present"
-"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-phenyl-3-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-phenyl-3-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptade","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)C(F)(F)F)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","FJKXRFDTELYEGH-HXZKEHTGSA-N","6712036",NA,"PDBC55197","653244","Present"
-"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-(butoxycarbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-(butoxycarbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ","","CCCCOC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O","RQFZIBKSUVOOCI-RIDOBZAASA-N","6712243",NA,"PDBC55198","662161","Present"
-"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-[(3-chlorobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-[(3-chlorobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-y","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)Cl)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","OXEKAIRPEWMBFZ-HXZKEHTGSA-N","6712240",NA,"PDBC55199","662158","Present"
-"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] be","","CC1=CC=C(C=C1)C(C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O)NC(=O)C7=CC=CC=C7","LMXOIOZYGWKKOY-AHCJXFNUSA-N","6712005",NA,"PDBC55200","651196","Present"
-"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-3-(3-chlorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-3-(3-chlorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] be","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC(=CC=C5)Cl)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","ZQWDAMWGQVLXCL-HXZKEHTGSA-N","6712241",NA,"PDBC55201","662159","Present"
-"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] be","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=C(C=C5)F)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","FEAWFVLPLSRVKF-HXZKEHTGSA-N","6712242",NA,"PDBC55202","662160","Present"
-"[(1S,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-methoxyphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(1S,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-methoxyphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-1","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=C(C=C5)OC)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","XNPAPBPILRKCOQ-FHNPKNCPSA-N","379641",NA,"PDBC55203","664401","Present"
-"[(1S,7R)-7-Ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol","","","","","","","","","","","","","","","","","","","","[(1S,7R)-7-Ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol","","CC1(CCC2=C(C1)CCC3C2(CCCC3(C)CO)C)C=C","KVGUVNVWQKGXAA-WBFXSEPVSA-N","6711897",NA,"PDBC55204","646021","Present"
-"[(1S,7R,8R,11S,12R,13S)-11-Acetyloxy-12,13-dihydroxy-3,5-dioxo-4-phenyl-2,4,6-triazatricyclo[5.4.2.02,6]tridecan-8-yl] acetate","","","","","","","","","","","","","","","","","","","","[(1S,7R,8R,11S,12R,13S)-11-Acetyloxy-12,13-dihydroxy-3,5-dioxo-4-phenyl-2,4,6-triazatricyclo[5.4.2.02,6]tridecan-8-yl] acetate","","CC(=O)OC1CCC(C2C(C(C1N3N2C(=O)N(C3=O)C4=CC=CC=C4)O)O)OC(=O)C","PIMXUPVIOUVFMR-XFZGEKFBSA-N","398020",NA,"PDBC55205","707093","Present"
-"[(1Z,3E)-2,4-Bis(benzenesulfonyl)buta-1,3-dienyl]benzene","","","","","","","","","","","","","","","","","","","","[(1Z,3E)-2,4-Bis(benzenesulfonyl)buta-1,3-dienyl]benzene","","C1=CC=C(C=C1)C=C(C=CS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","ORYDCMXESDNDEZ-PYILIBOYSA-N","5387480",NA,"PDBC55206","623969","Present"
-"[(2,2,4,4-Tetramethyl-3-oxo-cyclobutylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","[(2,2,4,4-Tetramethyl-3-oxo-cyclobutylidene)amino]thiourea","","CC1(C(=NNC(=S)N)C(C1=O)(C)C)C","DDTKMCIVLNTYAB-UHFFFAOYSA-N","3004267",NA,"PDBC55207","641830","Present"
-"[(2,2,4,4-Tetramethylcyclobutylidene)amino]urea","","","","","","","","","","","","","","","","","","","","[(2,2,4,4-Tetramethylcyclobutylidene)amino]urea","","CC1(CC(C1=NNC(=O)N)(C)C)C","XGTRULUXCIJMHX-UHFFFAOYSA-N","380714",NA,"PDBC55208","666421","Present"
-"[(2,4-Dinitrophenyl)thio]acetic acid","","","","","","","","","","","","","","","","","","","","ALBB-024869","","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)O","RDEPTRFZTKVALC-UHFFFAOYSA-N","60055",NA,"PDBC55209","190577","Present"
-"[(2-Acetoxy-2-phenyl-acetyl)oxy-diethyl-stannyl] 2-acetoxy-2-phenyl-acetate","","","","","","","","","","","","","","","","","","","","4,4-Diethyl-2,6,9-trioxo-1,7-diphenyl-3,5,8-trioxa-4-stannadec-1-yl acetate","","CC[Sn](CC)(OC(=O)C(C1=CC=CC=C1)OC(=O)C)OC(=O)C(C2=CC=CC=C2)OC(=O)C","IJBYFXLZZMMXGP-UHFFFAOYSA-L","16683246",NA,"PDBC55210","653551","Present"
-"[(2-Amino-3-methylsulfanyl-propanoyl)oxy-dibutyl-stannyl] 2-amino-3-methylsulfanyl-propanoate","","","","","","","","","","","","","","","","","","","","[(2-Amino-3-methylsulfanyl-propanoyl)oxy-dibutyl-stannyl] 2-amino-3-methylsulfanyl-propanoate","","CCCC[Sn](CCCC)(OC(=O)C(CSC)N)OC(=O)C(CSC)N","DETYOARHVFQRAC-UHFFFAOYSA-L","16683180",NA,"PDBC55211","633515","Present"
-"[(2-Amino-9-propyl-9h-purin-6-yl)sulfanyl]acetic acid","","","","","","","","","","","","","","","","","","","","[(2-Amino-9-propyl-9h-purin-6-yl)sulfanyl]acetic acid","","CCCN1C=NC2=C1N=C(N=C2SCC(=O)O)N","PMRBNAQORARSML-UHFFFAOYSA-N","242655",NA,"PDBC55212","51470","Present"
-"[(2-Aminoacetyl)oxy-dibutyl-stannyl] 2-aminoacetate","","","","","","","","","","","","","","","","","","","","[(2-Aminoacetyl)oxy-dibutyl-stannyl] 2-aminoacetate","","CCCC[Sn](CCCC)(OC(=O)CN)OC(=O)CN","GRBLPHJTEPRUFT-UHFFFAOYSA-L","16683179",NA,"PDBC55213","633514","Present"
-"[(2-Benzamido-4-methyl-pentanoyl)oxy-diphenyl-plumbyl] 2-benzamido-4-methyl-pentanoate","","","","","","","","","","","","","","","","","","","","[(2-Benzamido-4-methyl-pentanoyl)oxy-diphenyl-plumbyl] 2-benzamido-4-methyl-pentanoate","","","","",NA,"PDBC55214","628683","Present"
-"[(2-Benzamidoacetyl)oxy-diphenyl-plumbyl] 2-benzamidoacetate","","","","","","","","","","","","","","","","","","","","[(2-Benzamidoacetyl)oxy-diphenyl-plumbyl] 2-benzamidoacetate","","","","",NA,"PDBC55215","628682","Present"
-"[(2-Formamido-3-phenyl-propanoyl)oxy-diphenyl-plumbyl] 2-formamido-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","[(2-Formamido-3-phenyl-propanoyl)oxy-diphenyl-plumbyl] 2-formamido-3-phenyl-propanoate","","","","",NA,"PDBC55216","628684","Present"
-"[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylamino]urea","","","","","","","","","","","","","","","","","","","","[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylamino]urea","","C1=CC=C(C=C1)C2=NO[N+](=C2CNNC(=O)N)[O-]","UQVDHYCOEWILQZ-UHFFFAOYSA-N","390736",NA,"PDBC55217","688495","Present"
-"[(2-Oxo-5-bromo-2,3-dihydro-1H-indole)-3-ylidene]acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl (2Z)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)acetate","","COC(=O)C=C1C2=C(C=CC(=C2)Br)NC1=O","RZNRCMOMGZFXQH-YVMONPNESA-N","5470983",NA,"PDBC55218","707048","Present"
-"[(2-{[(3-Amino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid","","","","","","","","","","","","","","","","","","","","2-(2-(N-(3-amino-1H-1,2,4-triazol-5-yl)sulfamoyl)-5-chlo...","","CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NNC(=N2)N","HWPZNZMOTSZHOE-UHFFFAOYSA-N","378475",NA,"PDBC55219","661075","Present"
-"[(2-{[(3-Anilino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid","","","","","","","","","","","","","","","","","","","","[(2-{[(3-Anilino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid","","CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NNC(=N2)NC3=CC=CC=C3","AKDJNADAIFOALR-UHFFFAOYSA-N","380927",NA,"PDBC55220","666713","Present"
-"[(2-{[(4-Amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid","","","","","","","","","","","","","","","","","","","","2-(2-(N-(4-amino-6-morpholino-1,3,5-triazin-2-yl)sulfamo...","","CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NC(=NC(=N2)N)N3CCOCC3","AMIWKOQKHREBOX-UHFFFAOYSA-N","378492",NA,"PDBC55221","661092","Present"
-"[(2-{[(4-Butyl-4H-1,2,4-triazol-3-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid","","","","","","","","","","","","","","","","","","","","[(2-{[(4-Butyl-4H-1,2,4-triazol-3-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid","","CCCCN1C=NN=C1NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)SCC(=O)O","RWAGUBKMSDEUSL-UHFFFAOYSA-N","378480",NA,"PDBC55222","661080","Present"
-"[(20S)-20-(N, N-Formylchonemorphine","","","","","","","","","","","","","","","","","","","","[(20S)-20-(N,N-dimethylamino)-5a-preg-3a-aminal], N-form...","","CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NC=O)C)C)N(C)C","ZROQUMPZTDXHBC-YBFNHMLTSA-N","54612852",NA,"PDBC55223","748904","Present"
-"[(20S)-20-(N,4a-Diol]","","","","","","","","","","","","","","","","","","","","NSC748903","","CC=C(C)C(=O)NC1C(CC2(C(C1O)CCC3C2CCC4(C3CCC4C(C)N(C)C)C)C)O","DYGGJZQCTQNOMK-XVFBAERVSA-N","54612851",NA,"PDBC55224","748903","Present"
-"[(20S)-20-(N,N-Dimethylamino)-3a-(senecoylamino)-5a-preg-16a-O-acetate]","","","","","","","","","","","","","","","","","","","","[(20S)-20-(N,N-dimethylamino)-3a-(senecoylamino)-5a-preg...","","CC(C1C(CC2C1(CCC3C2CCC4C3(CCC(C4)NC(=O)C=C(C)C)C)C)OC(=O)C)N(C)C","FSJWRRSBFGZUNB-ONLHLXOLSA-N","54612849",NA,"PDBC55225","748901","Present"
-"[(20S)-20-(N,N-Dimethylamino)-3a-(tigloylamino)-5a-preg-2a-O-acetate-4a-ol]","","","","","","","","","","","","","","","","","","","","[(20S)-20-(N,N-dimethylamino)-3a-(tigloylamino)-5a-preg-...","","CC=C(C)C(=O)NC1C(CC2(C(C1O)CCC3C2CCC4(C3CCC4C(C)N(C)C)C)C)OC(=O)C","NGSUWFQYLHJISG-ROPKYEPZSA-N","54612848",NA,"PDBC55226","748900","Present"
-"[(2E)-2-Benzoyloxyiminocyclohexyl]methyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[(2E)-2-Benzoyloxyiminocyclohexyl]methyl-trimethylazanium;iodide","","C[N+](C)(C)CC1CCCCC1=NOC(=O)C2=CC=CC=C2.[I-]","GXAIKEOIFOTGQM-HYNBPGMHSA-M","9571656",NA,"PDBC55227","640393","Present"
-"[(2E)-2-Benzoyloxyiminocyclopentyl]methyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[(2E)-2-Benzoyloxyiminocyclopentyl]methyl-trimethylazanium;iodide","","C[N+](C)(C)CC1CCCC1=NOC(=O)C2=CC=CC=C2.[I-]","WIXSQLSNLTYJOJ-INTLEYBYSA-M","9571658",NA,"PDBC55228","640396","Present"
-"[(2E)-2-Hydroxyiminocyclohexyl]methyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[(2E)-2-Hydroxyiminocyclohexyl]methyl-trimethylazanium;iodide","","C[N+](C)(C)CC1CCCCC1=NO.[I-]","SEHHMBWMAIIQPS-ASTDGNLGSA-N","9555821",NA,"PDBC55229","634788","Present"
-"[(2R)-2-(Hydroxymethyl)-5-oxooxolan-2-yl]methyl (Z)-octadec-9-enoate","","","","","","","","","","","","","","","","","","","","[(2R)-2-(Hydroxymethyl)-5-oxooxolan-2-yl]methyl (Z)-octadec-9-enoate","","CCCCCCCCC=CCCCCCCCC(=O)OCC1(CCC(=O)O1)CO","PEAIWKSTMMPPID-OPSAWKISSA-N","5470637",NA,"PDBC55230","703765","Present"
-"[(2R)-2-Hexadecanoyloxy-3-[hydroxy-[2-[3-(2-pyridyldisulfanyl)propanoylamino]ethoxy]phosphoryl]oxy-propyl] hexadecanoate","","","","","","","","","","","","","","","","","","","","[2-Hexadecanoyloxy-3-[hydroxy-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]phosphoryl]oxypropyl] hexadecanoate","","CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCSSC1=CC=CC=N1)OC(=O)CCCCCCCCCCCCCCC","FKHHBNZLKDHJAH-UHFFFAOYSA-N","393759",NA,"PDBC55231","696394","Present"
-"[(2R)-2-[(1S,2R,5S,7R,8R,10S,11S,14R,15S)-8-Methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate","","","","","","","","","","","","","","","","","","","","[(2R)-2-[(1S,2R,5S,7R,8R,10S,11S,14R,15S)-8-Methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate","","CC(COC(=O)C)C1CCC2C1(CCC3C2CC(C45C3(CCC4C5)C)OC)C","OBXKFYVWKKLUHN-LPONOANUSA-N","386139",NA,"PDBC55232","677771","Present"
-"[(2R)-3-Methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl] 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","[(2R)-3-Methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl] 2,2-dimethylpropanoate","","CC(C)(C)C(=O)OCC(C)(C(=O)OC)NC(=O)OC(C)(C)C","WZBSXFWDSMHYEV-OAHLLOKOSA-N","6712628",NA,"PDBC55233","701979","Present"
-"[(2R,10S,15S)-2,6,6,10-Tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate","","","","","","","","","","","","","","","","","","","","[(2R,10S,15S)-2,6,6,10-Tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate","","CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)CO)O)O)O)C","LEUVBPJNWLQXPO-GJIHLIRSSA-N","369931",NA,"PDBC55234","642298","Present"
-"[(2R,13R,17S,18S)-2,18-Dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-yl] acetate","","","","","","","","","","","","","","","","","","","","[(2R,13R,17S,18S)-2,18-Dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-yl] acetate","","CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CCC5=NON=C45)C)C","BAZMQTKNLZZEHX-PMKRURKUSA-N","371329",NA,"PDBC55235","645460","Present"
-"[(2R,13R,17S,18S)-2,18-Dimethyl-7-oxa-6,9-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-yl] acetate","","","","","","","","","","","","","","","","","","","","[(2R,13R,17S,18S)-2,18-Dimethyl-7-oxa-6,9-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-yl] acetate","","CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC5=C(N4)ON=C5)C)C","HPKLKMDASAMZLY-AXYCQOOYSA-N","379347",NA,"PDBC55236","663894","Present"
-"[(2R,3R)-3-Benzoyl-2,3-dimethyl-1-phenylaziridin-2-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[(2R,3R)-3-Benzoyl-2,3-dimethyl-1-phenylaziridin-2-yl]-phenylmethanone","","CC1(C(N1C2=CC=CC=C2)(C)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","HDRBXGSPQHHEPE-ZEQRLZLVSA-N","6711339",NA,"PDBC55237","620130","Present"
-"[(2R,3R)-8-[(5R,5Ar,8aR,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","","","","","","","","","","","","","","","","","","","","[(2R,3R)-8-[(5R,5Ar,8aR,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)C6=C(C=C(C7=C6OC(C(C7)OC(=O)C8=CC(=C(C(=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O","IIDUOFFTAYYRME-HMOYCCJZSA-N","397860",NA,"PDBC55238","706483","Present"
-"[(2R,3R)-8-[(5R,5Ar,8aR,9S)-6-oxo-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate","","","","","","","","","","","","","","","","","","","","[(2R,3R)-8-[(5R,5Ar,8aR,9S)-6-oxo-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)C6=C(C=C(C7=C6OC(C(C7)OC(=O)C8=CC(=C(C(=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O","KOIXEDMUJUZLJA-HTJQZNAQSA-N","397859",NA,"PDBC55239","706482","Present"
-"[(2R,3S)-4-[(4S,5R,13S,15S)-4-Hydroxy-13-methyl-5-(2-methylpropyl)-2,12,14-trioxo-15-propan-2-yl-1-oxa-6,11-diazacyclopentadec-6-yl]-3-[[(2R)-2-[[1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-4-oxobutan-2-yl] (2S)-2-[acetyl(methyl)amino]-3-(4-methoxyphenyl)propanoate","","","","","","","","","","","","","","","","","","","","[(2R,3S)-4-[(4S,5R,13S,15S)-4-Hydroxy-13-methyl-5-(2-methylpropyl)-2,12,14-trioxo-15-propan-2-yl-1-oxa-6,11-diazacyclopentadec-6-yl]-3-[[(2R)-2-[[1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-met","","CC1C(=O)C(OC(=O)CC(C(N(CCCCNC1=O)C(=O)C(C(C)OC(=O)C(CC2=CC=C(C=C2)OC)N(C)C(=O)C)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)CC(C)C)O)C(C)C","VDCJWCWXHGCTBX-LBMBESCRSA-N","5469696",NA,"PDBC55240","691532","Present"
-"[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(9H-purin-9-yl)-tetrahydrofuran-2-yl]methyl N-methylsulfamate","","","","","","","","","","","","","","","","","","","","[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)-tetrahydr...","","CNS(=O)(=O)OCC1C(C(C(O1)N2C=NC3=CN=CN=C32)O)O","XXKPGGIDSSIXCU-UHFFFAOYSA-N","60147777",NA,"PDBC55241","752406","Present"
-"[(2R,3S,4R,5R)-5-(6-Chloropurin-9-yl)-4-hydroxy-2-(trityloxymethyl)oxolan-3-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(2R,3S,4R,5R)-5-(6-Chloropurin-9-yl)-4-hydroxy-2-(trityloxymethyl)oxolan-3-yl] benzoate","","C1=CC=C(C=C1)C(=O)OC2C(OC(C2O)N3C=NC4=C3N=CN=C4Cl)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","SPFCAZDEKOSXNR-UTBAFCPYSA-N","401669",NA,"PDBC55242","715399","Present"
-"[(2R,4R,6S,10S,11S)-2,8-Diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate","","","","","","","","","","","","","","","","","","","","[(2R,4R,6S,10S,11S)-2,8-Diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate","","CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(=O)C3OC(=O)C)(C)C)O)OC(=O)C)C)C(=O)C2=C","WQVYSFSBBFDGRG-BIAOQMDSSA-N","377385",NA,"PDBC55243","658828","Present"
-"[(2R,4S)-4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]methyl thiocyanate","","","","","","","","","","","","","","","","","","","","[(2R,4S)-4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]methyl thiocyanate","","CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4(CC(OC4=O)CSC#N)O","MGBUCTJSPXJVHS-VFNWGFHPSA-N","24936180",NA,"PDBC55244","743897","Present"
-"[(2R,5S)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[2-[4-[2-[4-[[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-yl]oxyethyl]piperazin-1-yl]ethoxy]quinolin-4-yl]methanol","","","","","","","","","","","","","","","","","","","","[(2R,5S)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[2-[4-[2-[4-[[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-yl]oxyethyl]piperazin-1-yl]ethoxy]quinolin-4-yl]methanol","","CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCCN5CCN(CC5)CCOC6=CC7=C(C=CN=C7C=C6)C(C8CC9CCN8CC9CC)O)O","RIDAKPSCGYLUOB-VLSFUPFOSA-N","397590",NA,"PDBC55245","705931","Present"
-"[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]propanoate","","","","","","","","","","","","","","","","","","","","[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-meth","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)OC(C(C)C)C(=O)N2C(C(=CC2=O)OC)CC3=CC=CC=C3)NC(=O)C(C(C)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5","DIOPHCBJXPKRPH-LXLWALGQSA-N","5470781",NA,"PDBC55246","704966","Present"
-"[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methy","","CCCCCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4","OBBNHSFBTPUMDY-YPLZCVELSA-N","397353",NA,"PDBC55247","704963","Present"
-"[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methy","","CCCCCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4","ZJVGNWVIWHOOST-GPMHJMGWSA-N","397352",NA,"PDBC55248","704962","Present"
-"[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-4-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-4-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]b","","CC(C)CC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)OCC5=CC=CC=C5","NPZPWJBXDUFVSE-JPTQGGKCSA-N","397354",NA,"PDBC55249","704964","Present"
-"[(2S,3S)-2-Methyl-3-(4-trimethylsilylbut-3-ynyl)oxiran-2-yl]methanol","","","","","","","","","","","","","","","","","","","","[(2S,3S)-2-Methyl-3-(4-trimethylsilylbut-3-ynyl)oxiran-2-yl]methanol","","CC1(C(O1)CCC#C[Si](C)(C)C)CO","HBCXMCCENZMPCU-QWRGUYRKSA-N","359273",NA,"PDBC55250","619989","Present"
-"[(2S,4As,4bS,6aS,6bS,10aR,11aS,11bR,13aS)-4a,6a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl] acetate","","","","","","","","","","","","","","","","","","","","(4a,6a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a...","","CC1=CC(=O)C2C(C1)CC3C2(C(=O)CC4C3CCC5C4(CCC(C5)OC(=O)C)C)C","XQNWOIOMJJWHCN-COSCTRPYSA-N","246496",NA,"PDBC55251","59620","Present"
-"[(2S,4R,5As,6S,9R,9aR,10S,10aS)-2,4,5,8,10-pentaacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethylspiro[2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene-9,2'-oxirane]-6-yl] acetate","","","","","","","","","","","","","","","","","","","","[(2S,4R,5As,6S,9R,9aR,10S,10aS)-2,4,5,8,10-pentaacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethylspiro[2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene-9,2'-oxirane]-6-yl] acetate","","CC1=C2C(C(C3(C(CC(C4(C3C(C2(CC1OC(=O)C)C(C)(C)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","LFORUQDCIMULOP-XNQJFUBOSA-N","380411",NA,"PDBC55252","665933","Present"
-"[(2Z)-2-Hydroxyiminocyclopentyl]methyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[(2Z)-2-Hydroxyiminocyclopentyl]methyl-trimethylazanium;iodide","","C[N+](C)(C)CC1CCCC1=NO.[I-]","IIPKWZYFAQHLPP-KVVVOXFISA-N","6516931",NA,"PDBC55253","640394","Present"
-"[(2Z)-2-[(4-Dimethylaminophenyl)methylene]-3-oxo-benzofuran-6-yl] acetate","","","","","","","","","","","","","","","","","","","","[(2Z)-2-[(4-Dimethylaminophenyl)methylene]-3-oxo-benzofuran-6-yl] acetate","","CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)N(C)C)O2","WQOVTXHVIUZZLJ-ZDLGFXPLSA-N","5467629",NA,"PDBC55254","657014","Present"
-"[(2Z,6Z)-2,6-Dibenzylidenecyclohexylidene]hydrazine","","","","","","","","","","","","","","","","","","","","NSC634799","","C1CC(=CC2=CC=CC=C2)C(=NN)C(=CC3=CC=CC=C3)C1","YJIFDRJIONYQLR-DJTQBEGKSA-N","54608109",NA,"PDBC55255","634799","Present"
-"[(3,4,5-Trimethoxyphenyl)methylamino]thiourea","","","","","","","","","","","","","","","","","","","","1-(3,4,5-Trimethoxybenzyl)isothiosemicarbazide","","COC1=CC(=CC(=C1OC)OC)CNNC(=S)N","NGOKNDZTHQMCKY-UHFFFAOYSA-N","3005151",NA,"PDBC55256","677630","Present"
-"[(3-Aminopyrazine-2-carbonyl)oxy-dibutyl-stannyl] 3-aminopyrazine-2-carboxylate","","","","","","","","","","","","","","","","","","","","[(3-Aminopyrazine-2-carbonyl)oxy-dibutyl-stannyl] 3-aminopyrazine-2-carboxylate","","CCCC[Sn](CCCC)(OC(=O)C1=NC=CN=C1N)OC(=O)C2=NC=CN=C2N","SQZIOUNIRRFYJM-UHFFFAOYSA-L","16683207",NA,"PDBC55257","643863","Present"
-"[(39R)-1,2,2,14,15,16,19,20,21,35,36-Undecahydroxy-3,6,11,24,32-pentaoxo-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-29-yl] 3,4,5-trihydroxybenzoate","","","","","","","","","","","","","","","","","","","","[(39R)-1,2,2,14,15,16,19,20,21,35,36-Undecahydroxy-3,6,11,24,32-pentaoxo-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-","","C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O","WTKZYPVTAXZSEM-RUSDYTCLSA-N","385554",NA,"PDBC55258","676826","Present"
-"[(3Ar,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (S)-2,4,6-trimethylbenzenesulfinate","","","","","","","","","","","","","","","","","","","","[(3Ar,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (S)-2,4,6-trimethylbenzenesulfinate","","CC1=CC(=C(C(=C1)C)S(=O)OC2C(OC3C2OC(O3)(C)C)C4COC(O4)(C)C)C","FIQAIBUCIBDYRD-CVONMXRASA-N","9572384",NA,"PDBC55259","714121","Present"
-"[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-phenylmethanol","","","","","","","","","","","","","","","","","","","","[(1r,6r)-7,9-Dibenzyl-8-oxo-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonan-8-yl]-phenyl-methanol","","C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C4=CC=CC=C4)O)CC5=CC=CC=C5","JGHALCFETFWGAJ-QMMNWOAZSA-N","397402",NA,"PDBC55260","705143","Present"
-"[(3As,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-1-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[c]furan-4-yl] 3,4-dihydroxy-2-methylidenebutanoate","","","","","","","","","","","","","","","","","","","","Butanoic acid, 3,4-dihydroxy-2-methylene-, 1,3,3a,4,5,8,...","","CC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)C(CO)O)C(=C)OC2=O)CO","DPWXYEHGIIDURG-DJXTZVIASA-N","5471234",NA,"PDBC55261","709858","Present"
-"[(3As,5R,6S,9E,14S,15R,15aR)-5-hydroxy-10,14-dimethyl-3-methylidene-2-oxospiro[4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-6,2'-oxirane]-15-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3As,5R,6S,9E,14S,15R,15aR)-5-hydroxy-10,14-dimethyl-3-methylidene-2-oxospiro[4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-6,2'-oxirane]-15-yl] acetate","","CC1CCCC(=CCCC2(CO2)C(CC3C(C1OC(=O)C)OC(=O)C3=C)O)C","QOGINEPHTVUIRP-GNMARJRQSA-N","24205887",NA,"PDBC55262","737080","Present"
-"[(3E)-3-[(4-Chlorophenyl)methylene]-5,7-dimethyl-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(2-piperidyl)methanol","","","","","","","","","","","","","","","","","","","","(3-(4-Chlorobenzylidene)-5,7-dimethyl-2,3-dihydro-1H-cyc...","","CC1=CC(=C2C(=C1)C(=C3CCC(=CC4=CC=C(C=C4)Cl)C3=N2)C(C5CCCCN5)O)C","RBWRXGUYQAVWHA-XDJHFCHBSA-N","5384084",NA,"PDBC55263","305821","Present"
-"[(3E,8R,10R,13S,17S)-10,13-Dimethyl-3-(phenylcarbamoyloxyimino)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-phenylcarbamate","","","","","","","","","","","","","","","","","","","","[(3E,8R,10R,13S,17S)-10,13-Dimethyl-3-(phenylcarbamoyloxyimino)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-phenylcarbamate","","CC12CCC3C(C1CCC2OC(=O)NC4=CC=CC=C4)CCC5=CC(=NOC(=O)NC6=CC=CC=C6)CCC35C","KXCPDFHIHPGJME-VGVXAYGVSA-N","9569953",NA,"PDBC55264","629222","Present"
-"[(3E,8R,10R,13S,17S)-3-(Ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate","","","","","","","","","","","","","","","","","","","","[(3E,8R,10R,13S,17S)-3-(Ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate","","CCNC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NOC(=O)NCC)CCC34C)C","ODSCMQMBEHYDCG-OFUCJYHJSA-N","9569952",NA,"PDBC55265","629221","Present"
-"[(3E,8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-[(9-oxo-10H-acridine-4-carbonyl)hydrazinylidene]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate","","","","","","","","","","","","","","","","","","","","[(3E,8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-[(9-oxo-10H-acridine-4-carbonyl)hydrazinylidene]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate","","CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NNC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34C)C","BTFNYAYBMALJRU-OCTMWCKJSA-N","9571992",NA,"PDBC55266","683413","Present"
-"[(3R,13S)-13-Acetyloxy-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.03,7]tridec-5-en-2-yl] (E)-2-methylbut-2-enoate","","","","","","","","","","","","","","","","","","","","[(3R,13S)-13-Acetyloxy-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.03,7]tridec-5-en-2-yl] (E)-2-methylbut-2-enoate","","CC=C(C)C(=O)OC1C2C(C(C(C3C1(C(=O)C=C3)C)C)OC(=O)C2=C)OC(=O)C","PXHXEAQQWSRAOZ-CHYMYXIBSA-N","5459235",NA,"PDBC55267","655978","Present"
-"[(3R,3Ar,6R,9E,14S,15R,15aR)-3,6-dihydroxy-6,10,14-trimethyl-2,5-dioxo-3-(oxolan-2-ylmethyl)-3a,4,7,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3R,3Ar,6R,9E,14S,15R,15aR)-3,6-dihydroxy-6,10,14-trimethyl-2,5-dioxo-3-(oxolan-2-ylmethyl)-3a,4,7,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate","","CC1CCCC(=CCCC(C(=O)CC2C(C1OC(=O)C)OC(=O)C2(CC3CCCO3)O)(C)O)C","MSLHPYQRTZTNEH-REQRMDPCSA-N","5470113",NA,"PDBC55268","697734","Present"
-"[(3R,4Ar,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3R,4Ar,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10-yl] acetate","","CC(=O)OC1CCC(C2C1(C3(C(=O)CC(OC3(C(C2O)OC(=O)C)C)(C)C=C)O)C)(C)C","YUEPOKPCXPPNOO-AQLRWBRBSA-N","396205",NA,"PDBC55269","701757","Present"
-"[(3R,4R,7R,10S)-10-Methyl-2-oxo-1-azatricyclo[5.2.1.04,10]decan-3-yl] N-(3,5-dinitrophenyl)carbamate","","","","","","","","","","","","","","","","","","","","[(3R,4R,7R,10S)-10-Methyl-2-oxo-1-azatricyclo[5.2.1.04,10]decan-3-yl] N-(3,5-dinitrophenyl)carbamate","","CC12C3CCC1C(C(=O)N2CC3)OC(=O)NC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","JAOHKPLLZFHAMM-RHGUUREFSA-N","394167",NA,"PDBC55270","697403","Present"
-"[(3R,5R,8E,13S,14R,15R)-5,9,13-Trimethyl-17-oxospiro[4,16-dioxatricyclo[13.3.0.03,5]octadec-8-ene-18,1'-cyclopropane]-14-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3R,5R,8E,13S,14R,15R)-5,9,13-Trimethyl-17-oxospiro[4,16-dioxatricyclo[13.3.0.03,5]octadec-8-ene-18,1'-cyclopropane]-14-yl] acetate","","CC1CCCC(=CCCC2(C(O2)CC3C(C1OC(=O)C)OC(=O)C34CC4)C)C","ZCMSZTPVBJJZSP-DDYAOXFSSA-N","24204964",NA,"PDBC55271","733756","Present"
-"[(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] N-(2-chloroethyl)-N-nitrosocarbamate","","","","","","","","","","","","","","","","","","","","Androstan-17-one, 3-[[[(2-chloroethyl)nitrosoamino]carbo...","","CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OC(=O)N(CCCl)N=O","FULFKXIGCUQZJE-WSKGSGNSSA-N","320802",NA,"PDBC55272","269720","Present"
-"[(3R,6R,9S,11S,16S)-11-Hydroxy-3,7,7,12,16-pentamethyl-15-[(2S)-6-methylheptan-2-yl]-2,10-dioxo-18-oxapentacyclo[9.6.1.01,9.03,8.012,16]octadecan-6-yl] acetate","","","","","","","","","","","","","","","","","","","","6,11-Cyclo-8,9-secolanostane-7,9-dione, 3-acetoxy-8,11-e...","","CC(C)CCCC(C)C1CCC2(C1(CC34C(C5C(C(CCC5(C3=O)C)OC(=O)C)(C)C)C(=O)C2(O4)O)C)C","PGYZEUKBMCWBFW-PGXZUDPJSA-N","369140",NA,"PDBC55273","640685","Present"
-"[(3R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(1H-Benzimidazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate","","","","","","","","","","","","","","","","","","","","[17-[4-(1H-Benzimidazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17","","CC(CCC1=NC2=CC=CC=C2N1)C3CCC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)CCC(C)C7CCC8C7(CCC9C8CCC1C9(CCC(C1)O)C)C)C)C","FVFGIQLUIUFCAN-CRYMTLSNSA-N","389740",NA,"PDBC55274","686336","Present"
-"[(3S)-1-(3,3-Dimethyloxiran-2-yl)-3-[(10R,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate","","","","","","","","","","","","","","","","","","","","[(3S)-1-(3,3-Dimethyloxiran-2-yl)-3-[(10R,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate","","CC(CC(C1C(O1)(C)C)OC(=O)C)C2CCC3(C2(CCC4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C","KFPACOJXQVOAQP-RARVQIKXSA-N","374819",NA,"PDBC55275","653156","Present"
-"[(3S)-11-Oxatricyclo[5.3.1.04,8]undec-9-en-3-yl] acetate","","","","","","","","","","","","","","","","","","","","(4S)-1,2,3,3a,4,5,6,8a-Octahydro-1,6-epoxyazulen-4-yl acetate","","CC(=O)OC1CC2C=CC3C1CCC3O2","GEHSQLAXYPSWLX-SXVYVOEYSA-N","360878",NA,"PDBC55276","623561","Present"
-"[(3S)-2,2-Dimethyloxolan-3-yl]-trimethylsilane","","","","","","","","","","","","","","","","","","","","NSC617395","","CC1(C(CCO1)[Si](C)(C)C)C","IRXASZBEXTYLRL-QMMMGPOBSA-N","357862",NA,"PDBC55277","617395","Present"
-"[(3S)-6-(Aziridin-1-yl)-4,7-dimethyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3S)-6-(Aziridin-1-yl)-4,7-dimethyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate","","CC1=C2C(CCN2C3=C1C(=O)C(=C(C3=O)C)N4CC4)OC(=O)C","LUTXTTREGCEHPJ-NSHDSACASA-N","6712233",NA,"PDBC55278","661963","Present"
-"[(3S,3As,5aS,6R,7R,9aR,9bS)-3-acetyloxy-3a-methyl-7-(2-methyl-1,3-dithiolan-2-yl)-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[(3S,3As,5aS,6R,7R,9aR,9bS)-3-acetyloxy-3a-methyl-7-(2-methyl-1,3-dithiolan-2-yl)-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl acetate","","CC(=O)OCC1C2CCC3(C(C2CCC1C4(SCCS4)C)CCC3OC(=O)C)C","XBIHRHJXBALPME-PBBQUWACSA-N","386135",NA,"PDBC55279","677767","Present"
-"[(3S,3As,5aS,6S,7R,9aR,9bS)-3-acetyloxy-7-ethyl-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[(3S,3As,5aS,6S,7R,9aR,9bS)-3-acetyloxy-7-ethyl-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl acetate","","CCC1CCC2C(C1COC(=O)C)CCC3(C2CCC3OC(=O)C)C","KTPROZQWZVXYMH-LZZNHIFKSA-N","386132",NA,"PDBC55280","677764","Present"
-"[(3S,3As,5aS,6S,7R,9aR,9bS)-6-acetyl-7-ethyl-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl] nitrate","","","","","","","","","","","","","","","","","","","","[(3S,3As,5aS,6S,7R,9aR,9bS)-6-acetyl-7-ethyl-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl] nitrate","","CCC1CCC2C(C1C(=O)C)CCC3(C2CCC3O[N+](=O)[O-])C","AZEBAYZZAXVFTI-RHEFHGCGSA-N","386140",NA,"PDBC55281","677772","Present"
-"[(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-3a-methyl-3-(4-methylphenyl)sulfonyloxy-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-3a-methyl-3-(4-methylphenyl)sulfonyloxy-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl 4-methylbenzenesulfonate","","CCC1CCC2C(C1COS(=O)(=O)C3=CC=C(C=C3)C)CCC4(C2CCC4OS(=O)(=O)C5=CC=C(C=C5)C)C","QPHQDRSQALTOSN-WKLWZEOCSA-N","386133",NA,"PDBC55282","677765","Present"
-"[(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-6-(hydroxymethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-6-(hydroxymethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl] 4-methylbenzenesulfonate","","CCC1CCC2C(C1CO)CCC3(C2CCC3OS(=O)(=O)C4=CC=C(C=C4)C)C","UMPTWOMMZSTSRF-DXNNJSPRSA-N","386134",NA,"PDBC55283","677766","Present"
-"[(3S,4Ar,6aR,6bS,8aS,11S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,14b-heptamethyl-11-(4-methylpiperazine-1-carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] pyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","3-nicotinoyloxy-11-Deoxy-12(13)-en-18.beta.-olean-30-N-m...","","CC1(C2CCC3(C(C2(CCC1OC(=O)C4=CN=CC=C4)C)CC=C5C3(CCC6(C5CC(CC6)(C)C(=O)N7CCN(CC7)C)C)C)C)C","IZJFVCKBRYXULH-HSPCMIHISA-N","155813661",NA,"PDBC55284","794988","Present"
-"[(3S,4S,5R)-3,4,5-Tris(phenylmethoxy)-3-(phenylmethoxymethyl)cyclopenten-1-yl]methanol","","","","","","","","","","","","","","","","","","","","{(3s,4s,5r)-3,4,5-Tris(benzyloxy)-3-[(benzyloxy)methyl]cyclopent-1-en-1-yl}methanol","","C1=CC=C(C=C1)COCC2(C=C(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO)OCC5=CC=CC=C5","QLCUNDNHKBYBLE-PLJDCMBSSA-N","403445",NA,"PDBC55285","718308","Present"
-"[(3S,8R,10R,13S,17E)-10,13-Dimethyl-17-(phenylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-phenylcarbamate","","","","","","","","","","","","","","","","","","","","[(3S,8R,10R,13S,17E)-10,13-Dimethyl-17-(phenylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-phenylcarbamate","","CC12CCC3C(C1CCC2=NOC(=O)NC4=CC=CC=C4)CC=C5C3(CCC(C5)OC(=O)NC6=CC=CC=C6)C","VSUCFBFLXLOUDT-HRIYISDVSA-N","9569960",NA,"PDBC55286","629229","Present"
-"[(3S,8R,10R,13S,17E)-10,13-Dimethyl-17-(propan-2-ylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-propan-2-ylcarbamate","","","","","","","","","","","","","","","","","","","","[(3S,8R,10R,13S,17E)-10,13-Dimethyl-17-(propan-2-ylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-propan-2-ylcarbamate","","CC(C)NC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=NOC(=O)NC(C)C)C)C","YXEKBLFIQYTWRW-JKLLGFKGSA-N","9569959",NA,"PDBC55287","629228","Present"
-"[(3S,8R,10R,13S,17E)-17-(Ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-ethylcarbamate","","","","","","","","","","","","","","","","","","","","[(3S,8R,10R,13S,17E)-17-(Ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-ethylcarbamate","","CCNC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=NOC(=O)NCC)C)C","SNAZURKPPNBWIB-MTRGYMOUSA-N","9569958",NA,"PDBC55288","629227","Present"
-"[(3S,8R,9S,10R,13S,14S,16E)-16-(1-Acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3S,8R,9S,10R,13S,14S,16E)-16-(1-Acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=C(C(F)(F)F)OC(=O)C)C4=O)C)C","NBJBKSDSMJNQOA-WDOOFUNQSA-N","5351782",NA,"PDBC55289","45238","Present"
-"[(3S,8R,9S,10R,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3S,8R,9S,10R,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C)C","VKZSCDXXGOZHPA-UGZGSORHSA-N","5472094",NA,"PDBC55290","716257","Present"
-"[(3S,8R,9S,10R,13S,14S,16E)-17-Acetyloxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3S,8R,9S,10R,13S,14S,16E)-17-Acetyloxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4OC(=O)C)C)C","LPQBBBAIRRNDKR-QZYIBOFTSA-N","5472378",NA,"PDBC55291","718181","Present"
-"[(3S,8R,9S,10R,13S,14S,16E,17E)-16-[(3,4-Dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3S,8R,9S,10R,13S,14S,16E,17E)-16-[(3,4-Dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OC)OC)C4=NO)C)C","VGDMOUVTAYOVRG-ZQCDUPHKSA-N","9572442",NA,"PDBC55292","716258","Present"
-"[(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=NO)C)C","DHMSZZBPGVEVKA-MMOVUQPMSA-N","9572139",NA,"PDBC55293","704615","Present"
-"[(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4=NO)C)C","BSDBXUPFVLTTMJ-VGPXVDLESA-N","9572505",NA,"PDBC55294","718182","Present"
-"[(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate","","CC(=O)OC1C(=CC2=CC=NC=C2)CC3C1(CCC4C3CC=C5C4(CCC(C5)N6CCCC6)C)C","OJAAWDGEXQJLCI-FPESOCRRSA-N","5472325",NA,"PDBC55295","717881","Present"
-"[(3S,8R,9S,10R,13S,14S,16E,17S)-17-Acetyloxy-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3S,8R,9S,10R,13S,14S,16E,17S)-17-Acetyloxy-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=NC=C5)C4OC(=O)C)C)C","CMSBUXXZEVCUFQ-GUOSOVQJSA-N","5472324",NA,"PDBC55296","717880","Present"
-"[(3S,8R,9S,10R,13S,14S,16Z)-16-Benzylidene-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3S,8R,9S,10R,13S,14S,16Z)-16-Benzylidene-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=CC=C5)C4=O)C)C","PYLBSMLISGOFKG-YMHDCCJSSA-N","5470424",NA,"PDBC55297","701569","Present"
-"[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C)C","RTQXQLKHWVEXNQ-WCNVUWMOSA-N","388470",NA,"PDBC55298","683410","Present"
-"[(3S,8S,9S,10R,13S,14S,17S)-17-[1-Acetyl-5-(trifluoromethyl)pyrazol-3-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","(3S,8S,9R,10S,13R)-17-(1-acetyl-5-(trifluoro methyl)-1H-...","","CC(=O)N1C(=CC(=N1)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C)C(F)(F)F","BXVQIEJJUANJMC-MKPDMXAPSA-N","256249",NA,"PDBC55299","82803","Present"
-"[(3Z)-4-Chloro-2,4-dinitro-1-(phenylamino)buta-1,3-dienyl]phenylamine","","","","","","","","","","","","","","","","","","","","[(3Z)-4-Chloro-2,4-dinitro-1-(phenylamino)buta-1,3-dienyl]phenylamine","","C1=CC=C(C=C1)NC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])NC2=CC=CC=C2","VYVDOOMQLARZRX-RVDMUPIBSA-N","5987298",NA,"PDBC55300","665091","Present"
-"[(3Z,4As,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-8-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3Z,4As,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-8-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C(=O)N4)C)C","OYRVVBUIWZNOHT-JRAMQBISSA-N","5470704",NA,"PDBC55301","704616","Present"
-"[(3Z,4As,4bR,8S,10aR,10bS,12aS)-3-benzylidene-10a,12a-dimethyl-2-oxo-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-8-yl] acetate","","","","","","","","","","","","","","","","","","","","[(3Z,4As,4bR,8S,10aR,10bS,12aS)-3-benzylidene-10a,12a-dimethyl-2-oxo-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-8-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=CC=C5)C(=O)N4)C)C","IADJBMCPHMICMU-YMHDCCJSSA-N","5470426",NA,"PDBC55302","701571","Present"
-"[(3Z,8R,9S,10S,13S,14S,17S)-1,10,13-Trimethyl-3-[(9-oxo-10H-acridine-4-carbonyl)hydrazinylidene]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate","","","","","","","","","","","","","","","","","","","","[(3Z,8R,9S,10S,13S,14S,17S)-1,10,13-Trimethyl-3-[(9-oxo-10H-acridine-4-carbonyl)hydrazinylidene]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate","","CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4C3(C(=CC(=NNC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C4)C)C)C","IXKSTPXHJUWVSN-XKFASRJFSA-N","9572002",NA,"PDBC55303","684410","Present"
-"[(4-Aminobenzoyl)oxy-diphenyl-plumbyl] 4-aminobenzoate","","","","","","","","","","","","","","","","","","","","[(4-Aminobenzoyl)oxy-diphenyl-plumbyl] 4-aminobenzoate","","","","",NA,"PDBC55304","628686","Present"
-"[(4-Chlorobenzoyl)amino] 4-nitrobenzoate","","","","","","","","","","","","","","","","","","","","[(4-Chlorobenzoyl)amino] 4-nitrobenzoate","","C1=CC(=CC=C1C(=O)ONC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]","RNPHCBRPUFTNMF-UHFFFAOYSA-N","368368",NA,"PDBC55305","639228","Present"
-"[(4-Fluoro-benzenesulfonyl)-methyl-amino]-acetic acid","","","","","","","","","","","","","","","","","","","","CBKinase1_003803","","CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)F","LWYIAFIJPSFZQQ-UHFFFAOYSA-N","362745",NA,"PDBC55306","627000","Present"
-"[(4-Methoxyphenyl)(nitroso)amino]acetic acid","","","","","","","","","","","","","","","","","","","","N-nitroso-N-(p-anisyl)glycine","","COC1=CC=C(C=C1)N(CC(=O)O)N=O","MBYDBHKSYFMVSP-UHFFFAOYSA-N","274998",NA,"PDBC55307","121384","Present"
-"[(4-Methoxyphenyl)amino]acetonitrile","","","","","","","","","","","","","","","","","","","","[(4-Methoxyphenyl)amino]acetonitrile","","COC1=CC=C(C=C1)NCC#N","OWNQIZJEBGJLSW-UHFFFAOYSA-N","90640",NA,"PDBC55308","617261","Present"
-"[(4-Methyl-1,3-thiazol-2-yl)amino]urea","","","","","","","","","","","","","","","","","","","","[(4-Methyl-1,3-thiazol-2-yl)amino]urea","","CC1=CSC(=N1)NNC(=O)N","GZNPCYCBTSMTMV-UHFFFAOYSA-N","389965",NA,"PDBC55309","686667","Present"
-"[(4-Methylphenyl)methyl](triphenyl)arsanium bromide","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-131513","","CC1=CC=C(C=C1)C[As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","BHDARVXTPHCSMI-UHFFFAOYSA-M","10672721",NA,"PDBC55310","131513","Present"
-"[(4-Phenyl-1,3-thiazol-2-yl)amino]urea","","","","","","","","","","","","","","","","","","","","STL436714","","C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)N","PZDKXJUXQBXNCL-UHFFFAOYSA-N","388577",NA,"PDBC55311","683589","Present"
-"[(4-Sulfamoylphenyl)methylamino] diethylaminomethanedithioate","","","","","","","","","","","","","","","","","","","","[(4-Sulfamoylphenyl)methylamino] diethylaminomethanedithioate","","CCN(CC)C(=S)SNCC1=CC=C(C=C1)S(=O)(=O)N","WKAREKARIQSGHN-UHFFFAOYSA-N","395823",NA,"PDBC55312","700715","Present"
-"[(4-nitrophenyl)[?]yl] acetate","","","","","","","","","","","","","","","","","","","","[(4-nitrophenyl)[?]yl] acetate","","CC(=O)OC1C2CCC1C3C2N=NN3C4=CC=C(C=C4)[N+](=O)[O-]","HTDOPPBDHXBYCB-UHFFFAOYSA-N","392965",NA,"PDBC55313","694179","Present"
-"[(4Br,12aS)-12a-methyl-1,3-dioxo-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] acetate","","","","","","","","","","","","","","","","","","","","[(4Br,12aS)-12a-methyl-1,3-dioxo-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] acetate","","CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(=O)NC4=O)C","VBDBRXBVNJZZGY-FCULAJGNSA-N","376244",NA,"PDBC55314","656927","Present"
-"[(4Br,12aS)-2-butyl-12a-methyl-1,3-dioxo-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] acetate","","","","","","","","","","","","","","","","","","","","[(4Br,12aS)-2-butyl-12a-methyl-1,3-dioxo-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] acetate","","CCCCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OC(=O)C","IDRPPAXCLPSHQJ-UZSNPODYSA-N","379349",NA,"PDBC55315","663896","Present"
-"[(4Br,8S,10aR,12aS)-10a,12a-dimethyl-1,3-dioxo-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinolin-8-yl] acetate","","","","","","","","","","","","","","","","","","","","[(4Br,8S,10aR,12aS)-10a,12a-dimethyl-1,3-dioxo-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinolin-8-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=O)NC4=O)C)C","FOXNKNXXDGRBFV-AFRXSRFJSA-N","371330",NA,"PDBC55316","645461","Present"
-"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl hexanoate","","","","","","","","","","","","","","","","","","","","[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl hexanoate","","CCCCCC(=O)OCC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO","BWJOJZPMFILAAD-LICLKQGHSA-N","5470618",NA,"PDBC55317","703745","Present"
-"[(4E)-4-(3,4-Dimethylisoxazol-5-yl)imino-1-oxo-2-naphthyl] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[(4E)-4-(3,4-Dimethylisoxazol-5-yl)imino-1-oxo-2-naphthyl] 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC3=C(C(=NO3)C)C)C4=CC=CC=C4C2=O","PTJQWEXIOZXVGQ-FCDQGJHFSA-N","9571500",NA,"PDBC55318","673788","Present"
-"[(4E)-4-Hexylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate","","","","","","","","","","","","","","","","","","","","[(4E)-4-Hexylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate","","CCCCCC=C1CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C","SJBCBDAKOWZLGU-LICLKQGHSA-N","5470621",NA,"PDBC55319","703748","Present"
-"[(4E)-4-[2-(3,3,6a,10b-Tetramethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl)ethylidene]-5-oxooxolan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(4E)-4-[2-(3,3,6a,10b-Tetramethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl)ethylidene]-5-oxooxolan-3-yl] acetate","","CC(=O)OC1COC(=O)C1=CCC2C(=C)CCC3C2(CCC4C3(COC(O4)(C)C)C)C","HQUZOQGUMKRRHU-CAOOACKPSA-N","25121273",NA,"PDBC55320","750035","Present"
-"[(4E)-4-[2-[3-(2-Bromophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-5-oxooxolan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(4E)-4-[2-[3-(2-Bromophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-5-oxooxolan-3-yl] acetate","","CC(=O)OC1COC(=O)C1=CCC2C(=C)CCC3C2(CCC4C3(COC(O4)C5=CC=CC=C5Br)C)C","HUAGMQRJUCSXRC-KEBDBYFISA-N","54613248",NA,"PDBC55321","750034","Present"
-"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 3-aminopropanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 3-aminopropanoate","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCN)OC.Cl","QZMKRZOFQGDLON-QKVFEVCNSA-N","5469149",NA,"PDBC55322","683663","Present"
-"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 5-aminopentanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 5-aminopentanoate","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCCCN)OC.Cl","AUFTVDUKFZHMIT-YTDVBHLFSA-N","5469153",NA,"PDBC55323","683666","Present"
-"[(4E,6Z,8R,9R,10E,12R,13S,14R,16R)-19-[2-(Dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate","","","","","","","","","","","","","","","","","","","","2-Azabicyclo[16.3.1]docos-1(21),4,6,10,18-pentaen- 3,20,...","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC","KUFRQPKVAWMTJO-BZPDEKOWSA-N","5469144",NA,"PDBC55324","683659","Present"
-"[(4E,6Z,8R,9R,10E,12R,13S,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(propylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 4-aminobutanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","[(4E,6Z,8R,9R,10E,12R,13S,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(propylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 4-aminobutanoate;hydro","","CCCNC1=C2CC(CC(C(C(C=C(C(C(C=CC=C(C(=O)NC(=CC1=O)C2=O)C)OC)OC(=O)N)C)C)OC(=O)CCCN)OC)C.Cl","SOLXOKCYJODBGW-PYHLRZMUSA-N","5469057",NA,"PDBC55325","682300","Present"
-"[(4E,8E,11E,13R,15S)-4,8,12,15-Tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-trien-15-yl]methanol","","","","","","","","","","","","","","","","","","","","[(4E,8E,11E,13R,15S)-4,8,12,15-Tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-trien-15-yl]methanol","","CC1=CCCC(=CCC=C(C2CC(CC1)C(O2)(C)CO)C)C","ONSPNYKFMXGMMF-YYPYBWFESA-N","24204796",NA,"PDBC55326","732953","Present"
-"[(4R)-4-[(Z)-4-[Tert-butyl(diphenyl)silyl]oxybut-1-enyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[(4R)-4-[(Z)-4-[Tert-butyl(diphenyl)silyl]oxybut-1-enyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]-phenylmethanone","","CC1(N(C(CO1)C=CCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(=O)C4=CC=CC=C4)C","FMZGGSJBSANESZ-VYEJKPKRSA-N","5471919",NA,"PDBC55327","715422","Present"
-"[(4R,4As,7R,7aR,12bS)-4a,7-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate","","","","","","","","","","","","","","","","","","","","[(4R,4As,7R,7aR,12bS)-4a,7-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate","","CC(=O)OC1=C2C3=C(CC4C5(C3(CCN4C)C(O2)C(CC5)O)O)C=C1","SSUTUVICUUNYGZ-UPQOXJCWSA-N","6712732",NA,"PDBC55328","707490","Present"
-"[(4R,5R)-5-Diethoxyphosphoryl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol","","","","","","","","","","","","","","","","","","","","[(4R,5R)-5-Diethoxyphosphoryl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol","","CCOP(=O)(C1C(OC(O1)(C)C)CO)OCC","VUEZDPSZVRFVEC-RKDXNWHRSA-N","397591",NA,"PDBC55329","705932","Present"
-"[(4S,5S,10S,13S,14S,17S,19S,23R,30S,33S,36S)-13,30,33-Triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-7,27-dienyl] acetate","","","","","","","","","","","","","","","","","","","","[(4S,5S,10S,13S,14S,17S,19S,23R,30S,33S,36S)-13,30,33-Triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-7,27-dienyl] a","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4C6(CC7C5(C(=O)C6)C8(CC9C(CC=C1C9(CCC(C1)OC(=O)C)OC(=O)C)CC8C7)C)OC)C)OC(=O)C","SKLNCHIFEOFKJB-JWVIGVNTSA-N","393598",NA,"PDBC55330","695787","Present"
-"[(4S,5S,13S)-5,9,13-Trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol","","","","","","","","","","","","","","","","","","","","[(4S,5S,13S)-5,9,13-Trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol","","CC12CCC3C4(CCCC(C4CCC3(C1)C=C2)(C)CO)C","CIGQQQTZOIDQQR-MQUSSMTRSA-N","5459140",NA,"PDBC55331","626773","Present"
-"[(4S,5S,13S,14S,17S,19S,23R,33S,36S)-33-Acetyloxy-19-methoxy-17,36-dimethyl-10,30,37-trioxo-13-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-8,28-dienyl] acetate","","","","","","","","","","","","","","","","","","","","[(4S,5S,13S,14S,17S,19S,23R,33S,36S)-33-Acetyloxy-19-methoxy-17,36-dimethyl-10,30,37-trioxo-13-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-8,28-dienyl] acetate","","CC(=O)OC12CCC(=O)C=C1CCC3C2CCC4(C3CC5C4C6(CC7C5(C(=O)C6)C8(CC9C(CCC1=CC(=O)CCC91OC(=O)C)CC8C7)C)OC)C","YZMBCWYQFJCNHJ-LVLZODBMSA-N","393597",NA,"PDBC55332","695786","Present"
-"[(4S,5S,6R,7S,7As,7bR)-2',7-diacetyloxy-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate","","","","","","","","","","","","","","","","","","","","[(4S,5S,6R,7S,7As,7bR)-2',7-diacetyloxy-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate","","CC1C(C(C2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCC5C2(O5)C)C)OC(=O)C)OC(=O)C","UOPBVDKGCWSQFM-KUSMPRFYSA-N","390646",NA,"PDBC55333","688249","Present"
-"[(4S,5S,6R,7S,7As,7bR)-7-acetyloxy-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate","","","","","","","","","","","","","","","","","","","","[(4S,5S,6R,7S,7As,7bR)-7-acetyloxy-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate","","CC1C(C(C2(C(C13CC(OC3O)C4=COC=C4)CCC5C2(O5)C)C)OC(=O)C)OC(=O)C","UIEULHLNJMJHQZ-UJVINQALSA-N","390649",NA,"PDBC55334","688252","Present"
-"[(4S,5S,6S,7Ar,7bR)-2'-acetyloxy-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate","","","","","","","","","","","","","","","","","","","","[(4S,5S,6S,7Ar,7bR)-2'-acetyloxy-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate","","CC1C(CC2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCC5C2(O5)C)C)OC(=O)C","VUPLMTRSSLQGTH-ZKCCYDTESA-N","390647",NA,"PDBC55335","688250","Present"
-"[(4S,5S,6S,7Ar,7bR)-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate","","","","","","","","","","","","","","","","","","","","[(4S,5S,6S,7Ar,7bR)-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate","","CC1C(CC2(C(C13CC(OC3O)C4=COC=C4)CCC5C2(O5)C)C)OC(=O)C","UFRAGMCRABEBKP-CKLDKBANSA-N","390648",NA,"PDBC55336","688251","Present"
-"[(4S,5S,8S,10S,13R,14S,17S,19S,23R,28S,30S,33R,36S)-13,30,33-Triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriacontanyl] acetate","","","","","","","","","","","","","","","","","","","","[(4S,5S,8S,10S,13R,14S,17S,19S,23R,28S,30S,33R,36S)-13,30,33-Triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriacontanyl] ace","","CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CC5C4C6(CC7C5(C(=O)C6)C8(CC9C(CCC1C9(CCC(C1)OC(=O)C)OC(=O)C)CC8C7)C)OC)C)OC(=O)C","TXYXOCQBVYAHGN-WOJGNBHVSA-N","393596",NA,"PDBC55337","695785","Present"
-"[(4S,7R,9S,10S,12R,16R)-4,12-Diacetyloxy-15-[(2S,3R)-3-benzamido-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl]oxy-9,16-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(4S,7R,9S,10S,12R,16R)-4,12-Diacetyloxy-15-[(2S,3R)-3-benzamido-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl]oxy-9,16-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]he","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)C(C1OC(=O)C(C(C5=CC=C(C=C5)C(F)(F)F)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","BSYJQGQRXKDJGF-LQTZCNTQSA-N","54604796",NA,"PDBC55338","654374","Present"
-"[(4Z)-4-(Furan-2-ylmethylidene)-3-oxo-11-sulfanylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),5,8-trien-9-yl]thiourea","","","","","","","","","","","","","","","","","","","","[(4Z)-4-(Furan-2-ylmethylidene)-3-oxo-11-sulfanylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),5,8-trien-9-yl]thiourea","","C1=COC(=C1)C=C2C(=O)N3C4=NC(=S)NC(=C4SC3=N2)NC(=S)N","PRAZRRGVDNCIKQ-XQRVVYSFSA-N","5906432",NA,"PDBC55339","684382","Present"
-"[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]thiourea","","","","","","","","","","","","","","","","","","","","[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]thiourea","","C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2NC(=S)N","YDSRLMSBKPGEGR-SILNSSARSA-N","5469998",NA,"PDBC55340","695310","Present"
-"[(4Z,8E,12E)-10-Acetyloxy-4,8,15,15-tetramethyl-11-oxo-7-bicyclo[12.1.0]pentadeca-4,8,12-trienyl] acetate","","","","","","","","","","","","","","","","","","","","[(4Z,8E,12E)-10-Acetyloxy-4,8,15,15-tetramethyl-11-oxo-7-bicyclo[12.1.0]pentadeca-4,8,12-trienyl] acetate","","CC1=CCC(C(=CC(C(=O)C=CC2C(C2(C)C)CC1)OC(=O)C)C)OC(=O)C","VRGIDOAPYHTMND-KCNCIZRXSA-N","5459186",NA,"PDBC55341","640332","Present"
-"[(5,7-Dichloroquinolin-8-yl)oxy]acetic acid","","","","","","","","","","","","","","","","","","","","[(5,7-Dichloroquinolin-8-yl)oxy]acetic acid","","C1=CC2=C(C(=C(C=C2Cl)Cl)OCC(=O)O)N=C1","NJYVIGAFFXUJHS-UHFFFAOYSA-N","271277",NA,"PDBC55342","114743","Present"
-"[(5-Nitro-1H-imidazole-4-carbonyl)amino]urea","","","","","","","","","","","","","","","","","","","","[(5-Nitro-1H-imidazole-4-carbonyl)amino]urea","","C1=NC(=C(N1)[N+](=O)[O-])C(=O)NNC(=O)N","YHUAXGVTPFKBRR-UHFFFAOYSA-N","135489837",NA,"PDBC55343","684039","Present"
-"[(5-Nitro-3-oxo-2-phenyl-pyridazin-4-yl)amino]thiourea","","","","","","","","","","","","","","","","","","","","[(5-Nitro-3-oxo-2-phenyl-pyridazin-4-yl)amino]thiourea","","C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)[N+](=O)[O-])NNC(=S)N","AVBJPJPGRCYLFL-UHFFFAOYSA-N","3739776",NA,"PDBC55344","641823","Present"
-"[(5-Oxo-5H-benzocyclohepten-4-yl)oxy]acetic acid","","","","","","","","","","","","","","","","","","","","[(5-Oxo-5H-benzocyclohepten-4-yl)oxy]acetic acid","","C1=CC2=C(C(=O)C=C1)C(=CC=C2)OCC(=O)O","MMYVODITJBQRBR-UHFFFAOYSA-N","387176",NA,"PDBC55345","680712","Present"
-"[(5E)-2,3,4-Triacetoxy-5-(4-amino-2-methoxy-1-methyl-6-oxo-pyrimidin-5-yl)imino-pentyl] acetate","","","","","","","","","","","","","","","","","","","","NSC658426///NSC658427","","CC(=O)OCC(C(C(C=NC1=C(N=C(N(C1=O)C)OC)N)OC(=O)C)OC(=O)C)OC(=O)C","LZAQDYIOFALKBP-UHFFFAOYSA-N","377199",NA,"PDBC55346","658426///658427","Present"
-"[(5E)-2,3,4-Triacetoxy-5-[acetyl-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonyl-hydrazono]pentyl] acetate","","","","","","","","","","","","","","","","","","","","[(5E)-5-[Acetyl-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonylhydrazinylidene]-2,3,4-triacetyloxypentyl] acetate","","CC(=O)N(N=CC(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N2","PTKZKUXFGJMTHX-QIJBAEMQSA-N","9579059",NA,"PDBC55347","683764","Present"
-"[(5E)-4-Acetyloxy-6,10-dimethyl-2-methylideneundeca-5,9-dienyl] acetate","","","","","","","","","","","","","","","","","","","","[(5E)-4-Acetyloxy-6,10-dimethyl-2-methylideneundeca-5,9-dienyl] acetate","","CC(=CCCC(=CC(CC(=C)COC(=O)C)OC(=O)C)C)C","ZAXYWVMAJQQJNL-GXDHUFHOSA-N","5387047",NA,"PDBC55348","619979","Present"
-"[(5E)-4-Anilino-5-phenylimino-2-thioxo-imidazol-1-yl]-phenyl-methanone","","","","","","","","","","","","","","","","","","","","[(5E)-4-Anilino-5-phenylimino-2-thioxo-imidazol-1-yl]-phenyl-methanone","","C1=CC=C(C=C1)C(=O)N2C(=NC3=CC=CC=C3)C(=NC2=S)NC4=CC=CC=C4","GLYOZFTXIJVGAC-UHFFFAOYSA-N","3005097",NA,"PDBC55349","671398","Present"
-"[(5E,9E)-11-Chloro-2-(hydroxymethyl)-6,10-dimethylundeca-1,5,9-trien-4-yl] acetate","","","","","","","","","","","","","","","","","","","","[(5E,9E)-11-Chloro-2-(hydroxymethyl)-6,10-dimethylundeca-1,5,9-trien-4-yl] acetate","","CC(=CC(CC(=C)CO)OC(=O)C)CCC=C(C)CCl","HNVFPCPYQLPCHE-SWZPTJTJSA-N","5387049",NA,"PDBC55350","619981","Present"
-"[(5E,9E)-4-Acetyloxy-11-hydroxy-6,10-dimethyl-2-methylideneundeca-5,9-dienyl] acetate","","","","","","","","","","","","","","","","","","","","[(5E,9E)-4-Acetyloxy-11-hydroxy-6,10-dimethyl-2-methylideneundeca-5,9-dienyl] acetate","","CC(=CC(CC(=C)COC(=O)C)OC(=O)C)CCC=C(C)CO","GHGLCAARWIFRLD-UAUIHIKDSA-N","5387048",NA,"PDBC55351","619980","Present"
-"[(5R)-2-Methoxy-1,2,5,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-tri(propan-2-yl)silane","","","","","","","","","","","","","","","","","","","","{[(5r)-2-Methoxy-1,2,5,7-tetramethyl-3,6-dioxabicyclo[3.2.1]oct-8-yl]oxy}[tris(1-methylethyl)]silane","","CC1C2(C(C(O1)(COC2(C)OC)C)O[Si](C(C)C)(C(C)C)C(C)C)C","IUOBFSFZOAAPND-YFHPXGLKSA-N","401773",NA,"PDBC55352","715503","Present"
-"[(5R)-5-[(2S)-5-Butanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-butoxy-3,4-dihydroxyoxan-2-yl]methyl hexadecanoate","","","","","","","","","","","","","","","","","","","","[(5R)-5-[(2S)-5-Butanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-butoxy-3,4-dihydroxyoxan-2-yl]methyl hexadecanoate","","CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OCCCC)OC2C(C(C(C(O2)C)OC(=O)CCC)O)O)O)O","LIKCIOINGHXXRQ-AIIHMGOMSA-N","24202676",NA,"PDBC55353","725699","Present"
-"[(5R,6E,9E,14S,15R,15Ar)-5-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate","","","","","","","","","","","","","","","","","","","","[(5R,6E,9E,14S,15R,15Ar)-5-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate","","CC1CCCC(=CCC=C(C(CC2C(C1OC(=O)C)OC(=O)C2=C)O)C)C","HDOQBECKQQQPJB-BQSHZVMRSA-N","24204961",NA,"PDBC55354","733753","Present"
-"[(5R,9E,14S,15R,15Ar)-5-hydroxy-10,14-dimethyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate","","","","","","","","","","","","","","","","","","","","[(5R,9E,14S,15R,15Ar)-5-hydroxy-10,14-dimethyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate","","CC1CCCC(=CCCC(=C)C(CC2C(C1OC(=O)C)OC(=O)C2=C)O)C","IIHISVFXWMWKEB-DMLPQHMSSA-N","24204960",NA,"PDBC55355","733752","Present"
-"[(5S)-2-Ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol","","","","","","","","","","","","","","","","","","","","[(5S)-2-Ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol","","CCC1=NC(C(O1)C2=CC=CC=C2)CO","GZOYBTRDWOUZTG-KFJBMODSSA-N","359377",NA,"PDBC55356","620188","Present"
-"[(5S,5As,6R,7R)-5-[2-(furan-3-yl)ethyl]-4,5-dimethyl-2-oxospiro[4,5a,6,8,9,9a-hexahydro-3H-benzo[b]oxepine-7,2'-oxirane]-6-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[(5S,5As,6R,7R)-5-[2-(furan-3-yl)ethyl]-4,5-dimethyl-2-oxospiro[4,5a,6,8,9,9a-hexahydro-3H-benzo[b]oxepine-7,2'-oxirane]-6-yl]methyl acetate","","CC1CC(=O)OC2CCC3(CO3)C(C2C1(C)CCC4=COC=C4)COC(=O)C","KRZVLMSVXFBWSP-XZXSBAOVSA-N","6712203",NA,"PDBC55357","659003","Present"
-"[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 3-aminobenzoate","","","","","","","","","","","","","","","","","","","","[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 3-aminobenzoate","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC(=CC=C6)N","SDMJEXGVQHJCSY-DBGJTOQZSA-N","369909",NA,"PDBC55358","642276","Present"
-"[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 4-aminobenzoate","","","","","","","","","","","","","","","","","","","","[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 4-aminobenzoate","","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC=C(C=C6)N","DJTWCPJMHSYCEW-DBGJTOQZSA-N","369928",NA,"PDBC55359","642295","Present"
-"[(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate","","","","","","","","","","","","","","","","","","","","Androstan-3-one, 17-[[[(2-chloroethyl)nitrosoamino]carbo...","","CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4OC(=O)N(CCCl)N=O)C","SALYBQYJYPDVQY-GRPBBMKTSA-N","320803",NA,"PDBC55360","269721","Present"
-"[(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-Hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1,3(19),20-triene-30,2'-oxane]-26-yl] acetate","","","","","","","","","","","","","","","","","","","","[(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-Hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1","","CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CC7=NC8=C(CC9(C(C8)CCC2C9CCC3(C2CCC3C(C)CCCC(C)C)C)C)N=C7C6)C)OC(=O)C)C)C)OC1","ZDDWUUPJCDBABV-KJELKZOYSA-N","376535",NA,"PDBC55361","657501","Present"
-"[(5S,9S,10S,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-28-(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-trien-10-yl] acetate","","","","","","","","","","","","","","","","","","","","[(5S,9S,10S,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-28-(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-trien-10-yl] acetate","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(C4)N=C6CC7(C(CCC8C7CCC9(C8CCC9OC(=O)C)C)CC6=N5)C)C)C","DFKRKZIUOHQDNV-VCQDQCFFSA-N","376533",NA,"PDBC55362","657499","Present"
-"[(5Z)-1,7,7-Trimethyl-5-(nitromethylene)-6-oxo-norbornan-2-yl] acetate","","","","","","","","","","","","","","","","","","","","(1R)-(-)-3-Nitromethine-6-endo-acetoxycamphor","","CC(=O)OC1CC2C(=C[N+](=O)[O-])C(=O)C1(C2(C)C)C","ILQGVKFYAJGOKQ-VURMDHGXSA-N","3004516",NA,"PDBC55363","657829","Present"
-"[(5Z)-2,3,4-Triacetyloxy-5-[(4-oxo-3H-quinazolin-2-yl)hydrazinylidene]pentyl] acetate","","","","","","","","","","","","","","","","","","","","NSC691093///NSC691100","","CC(=O)OCC(C(C(C=NNC1=NC2=CC=CC=C2C(=O)N1)OC(=O)C)OC(=O)C)OC(=O)C","FENOOCYBEBBYIR-AFPJDJCSSA-N","135505150",NA,"PDBC55364","691093///691100","Present"
-"[(5Z)-9,13-Bis(acetyloxymethyl)-4-methyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadeca-5,12-dien-11-yl] 2-methylpropanoate","","","","","","","","","","","","","","","","","","","","[(5Z)-9,13-Bis(acetyloxymethyl)-4-methyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadeca-5,12-dien-11-yl] 2-methylpropanoate","","CC(C)C(=O)OC1CC2(C(O2)C=CC3(C(O3)C4C1=C(C(=O)O4)COC(=O)C)C)COC(=O)C","OKZUMIKPSHJYTI-SREVYHEPSA-N","5468267",NA,"PDBC55365","666857","Present"
-"[(6-Methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea","","","","","","","","","","","","","","","","","","","","[(6-Methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea","","CC1=C(N2C=CSC2=N1)C(=O)NNC(=S)N","VEOUHRNDOUGUKE-UHFFFAOYSA-N","3001070",NA,"PDBC55366","649047","Present"
-"[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl] 1H-indole-2-carboxylate","","","","","","","","","","","","","","","","","","","","1H-Indole-2-carboxylic acid, 2,3,5,11a-tetrahydro-7-meth...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OC(=O)C4=CC5=CC=CC=C5N4","MQRZJGARDSCQHC-AWEZNQCLSA-N","396302",NA,"PDBC55367","702015","Present"
-"[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl] methanesulfonate","","","","","","","","","","","","","","","","","","","","7-methoxy-5-(11aS)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrro...","","COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OS(=O)(=O)C","NDQASSHSCOZLOG-VIFPVBQESA-N","406089",NA,"PDBC55368","724007","Present"
-"[(6As,7S,8R,10aS)-7-[2-(furan-3-yl)-2-hydroxyacetyl]-8-methyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[(6As,7S,8R,10aS)-7-[2-(furan-3-yl)-2-hydroxyacetyl]-8-methyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]methyl acetate","","CC1CCC23COC(=O)C2=CCCC3C1(COC(=O)C)C(=O)C(C4=COC=C4)O","QOLYTMCBEFPBBC-USQRFNHMSA-N","390651",NA,"PDBC55369","688254","Present"
-"[(6As,8S)-6,11-bis(sulfanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl] acetate","","","","","","","","","","","","","","","","","","","","[(6As,8S)-6,11-bis(sulfanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl] acetate","","CC(=O)OC1CC2C(=S)NC3=CC=CC=C3C(=S)N2C1","DQWXERNLELJAQY-CABZTGNLSA-N","5470552",NA,"PDBC55370","703016","Present"
-"[(6R,13S)-2,6,12-Trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methyl acetate","","","","","","","","","","","","","","","","","","","","[(6R,13S)-2,6,12-Trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methyl acetate","","CC1=CC2CCC3C(CCCC3(C24CCC1C4)C)(C)COC(=O)C","CJXGXOWASAFJSQ-DLWUUNMUSA-N","5459208",NA,"PDBC55371","646018","Present"
-"[(6S,13S)-6-(Acetyloxymethyl)-2,6-dimethyl-12-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methyl acetate","","","","","","","","","","","","","","","","","","","","[(6S,13S)-6-(Acetyloxymethyl)-2,6-dimethyl-12-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methyl acetate","","CC(=O)OCC1=CC2CCC3C(CCCC3(C24CCC1C4)C)(C)COC(=O)C","WZVZCBSJYOTHKJ-AVOLGYPTSA-N","6711898",NA,"PDBC55372","646022","Present"
-"[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] 2-(9H-pyrido[3,4-b]indol-1-yl)acetate","","","","","","","","","","","","","","","","","","","","[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] 2-(9H-pyrido[3,4-b]indol-1-yl)acetate","","C1C#CC=CC(C#CCS1)OC(=O)CC2=NC=CC3=C2NC4=CC=CC=C34","BZCUPYKJHDGJMZ-UQCOIBPSSA-N","5468635",NA,"PDBC55373","673156","Present"
-"[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] 9,10-dioxoanthracene-2-carboxylate","","","","","","","","","","","","","","","","","","","","[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] 9,10-dioxoanthracene-2-carboxylate","","C1C#CC=CC(C#CCS1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","HPDKUMPHBWGGBY-UQCOIBPSSA-N","5468578",NA,"PDBC55374","671898","Present"
-"[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate","","","","","","","","","","","","","","","","","","","","[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate","","C1C#CC=CC(C#CCS1)OC(=O)C2=NC3=CC=CC=C3N=C2","OIIBRQOUIVXAIM-UQCOIBPSSA-N","5468278",NA,"PDBC55375","667277","Present"
-"[(6Z)-6-[Acetyl-[4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonylhydrazinylidene]-2,3,4,5-tetraacetyloxyhexyl] acetate","","","","","","","","","","","","","","","","","","","","NSC683760///NSC683762","","CC(=O)N(N=CC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=O)N2)C","GDHOVVUMRDYLKF-VVOIDQBESA-N","6477990",NA,"PDBC55376","683760///683762","Present"
-"[(6Z)-6-[Acetyl-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonylhydrazinylidene]-2,3,4,5-tetraacetyloxyhexyl] acetate","","","","","","","","","","","","","","","","","","","","NSC683759///NSC683761","","CC(=O)N(N=CC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N2","RHVIYIJWFRQNAN-QMCNIADLSA-N","6477989",NA,"PDBC55377","683759///683761","Present"
-"[(7-Chloro-3-methylquinolin-4-yl)sulfanyl]acetic acid","","","","","","","","","","","","","","","","","","","","[(7-Chloro-3-methylquinolin-4-yl)sulfanyl]acetic acid","","CC1=CN=C2C=C(C=CC2=C1SCC(=O)O)Cl","PSLQZFKHPIRPMU-UHFFFAOYSA-N","224790",NA,"PDBC55378","13579","Present"
-"[(7-Fluoro-9H-fluoren-2-yl)-(hydroxymethyl)amino]methanol","","","","","","","","","","","","","","","","","","","","[(7-Fluoro-9H-fluoren-2-yl)-(hydroxymethyl)amino]methanol","","C1C2=C(C=CC(=C2)N(CO)CO)C3=C1C=C(C=C3)F","LBQSZHPDBRKUCI-UHFFFAOYSA-N","284794",NA,"PDBC55379","141058","Present"
-"[(7R)-8-(Hydroxymethyl)-7,8-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","NSC627176///NSC627177","","CC1(C2CC3C1(C(C2)N(C3)C(=O)C4=CC=CC=C4)C)CO","CTNCSHKEEQKIDX-AXBMVZGFSA-N","362820",NA,"PDBC55380","627176///627177","Present"
-"[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-(Diphenylhydrazinylidene)methyl]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate","","","","","","","","","","","","","","","","","","","","(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(ace...","","CC1C=CC=C(C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)C=NN(C5=CC=CC=C5)C6=CC=CC=C6)C","XOPBYSLAVSFILR-AGCWWBCRSA-N","155806637",NA,"PDBC55381","777444","Present"
-"[(8Ar)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate","","","","","","","","","","","","","","","","","","","","[(8Ar)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate","","CC=C(C)C(=O)OC1CC(C2CC(=O)C(=C2CC1C(C)(C)OC(=O)C)C)C","IQWVFAXBJQKUDH-LLWSNPAWSA-N","5468690",NA,"PDBC55382","674623","Present"
-"[(8R)-13,14,15-Trimethoxy-5-methylsulfanyl-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] benzoate","","","","","","","","","","","","","","","","","","","","[(8R)-13,14,15-Trimethoxy-5-methylsulfanyl-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] benzoate","","COC1=C(C(=C2C(=C1)CCC(C3=C2C=CC(=C3)SC)OC(=O)C4=CC=CC=C4)OC)OC","ZLWUTUQLJPJYQB-OAQYLSRUSA-N","396011",NA,"PDBC55383","701186","Present"
-"[(8R,10R)-4,4,8,10,13-Pentamethyl-3-oxo-17-[(2R,4S)-1,4,6-trihydroxy-6-methyl-5-oxoheptan-2-yl]-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate","","","","","","","","","","","","","","","","","","","","[(8R,10R)-4,4,8,10,13-Pentamethyl-3-oxo-17-[(2R,4S)-1,4,6-trihydroxy-6-methyl-5-oxoheptan-2-yl]-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate","","CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C(CC(C(=O)C(C)(C)O)O)CO)C)C)(C)C","REBXJVOENPJSGD-KHTGCPTQSA-N","368987",NA,"PDBC55384","640468","Present"
-"[(8R,10R,13S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate","","","","","","","","","","","","","","","","","","","","[(8R,10R,13S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate","","CC12CCC3C(C1CCC2OC(=O)C45C(O4)CCC5=O)CCC6=CC(=O)CCC36C","XMCIJGUGZUPBQT-DWBQXBNVSA-N","5459228",NA,"PDBC55385","654892","Present"
-"[(8R,13S,17S)-3-Benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate","","","","","","","","","","","","","","","","","","","","[(8R,13S,17S)-3-Benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate","","CC12CCC3C(C1CCC2OC(=O)C45C(O4)CCC5=O)CCC6=C3C=CC(=C6)OC(=O)C7=CC=CC=C7","OXMWAECOOQPVRR-MBBASYQQSA-N","5459229",NA,"PDBC55386","654894","Present"
-"[(8R,9S)-9-Methyl-8-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.4]nonan-9-yl]methanol","","","","","","","","","","","","","","","","","","","","[(6s,7r)-6-Methyl-7-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.4]nonan-6-yl]methanol","","CC(=CC1CCC2(C1(C)CO)OCCO2)C","AHCTZNDGYAYCBE-VXGBXAGGSA-N","395707",NA,"PDBC55387","700505","Present"
-"[(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate","","","","","","","","","","","","","","","","","","","","[(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate","","CC(=O)OC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)N5CCCC5)C)C)N6C=CN=C6","KZPNCXIHDYJAKC-YNZPPCSWSA-N","390533",NA,"PDBC55388","687981","Present"
-"[(8R,9S,10R,13S,14S,16R)-17-Acetyloxy-16-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[(8R,9S,10R,13S,14S,16R)-17-Acetyloxy-16-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4OC(=O)C)N5C=CN=C5)C)C","RHUJAWUQNIMUDL-XVQQVLLFSA-N","390530",NA,"PDBC55389","687978","Present"
-"[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 9-oxo-10H-acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 9-oxo-10H-acridine-4-carboxylate","","CC12CCC3C(C1CCC2OC(=O)C4=CC=CC5=C4NC6=CC=CC=C6C5=O)CCC7=CC(=O)CCC37C","ZTYOTYHBHNWVBI-RBCUEHQTSA-N","388471",NA,"PDBC55390","683411","Present"
-"[(8R,9S,10R,13S,14S,17S)-13-Methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate","","","","","","","","","","","","","","","","","","","","Estr-4-en-3-one, 17-[[[(2-chloroethyl)nitrosoamino]carbo...","","CC12CCC3C(C1CCC2OC(=O)N(CCCl)N=O)CCC4=CC(=O)CCC34","KTQUNVRSLAGBSY-RRFJAZBJSA-N","320801",NA,"PDBC55391","269719","Present"
-"[(8R,9S,10R,13S,14S,17S)-3-Oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(8R,9S,10R,13S,14S,17S)-3-Oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acridine-4-carboxylate","","C1CC2C(CCC2OC(=O)C3=CC=CC4=CC5=CC=CC=C5N=C43)C6C1C7CCC(=O)C=C7CC6","SDCRBKQAMLVCSX-PSXDVZDISA-N","397508",NA,"PDBC55392","705634","Present"
-"[(8R,9S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(8R,9S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acridine-4-carboxylate","","CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65","REFAUOBPLNQGFD-FMEWARDTSA-N","396849",NA,"PDBC55393","703876","Present"
-"[(8R,9S,13S,14S,17S)-17-Acridin-9-yloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate","","","","","","","","","","","","","","","","","","","","[(8R,9S,13S,14S,17S)-17-Acridin-9-yloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate","","CC12CCC3C(C1CCC2OC4=C5C=CC=CC5=NC6=CC=CC=C64)CCC7=C3C=CC(=C7)OC(=O)C8=CC=CC=C8","AZHBEUUCGUQLBZ-IERQGPEBSA-N","397512",NA,"PDBC55394","705638","Present"
-"[(8R,9S,9Bs)-9-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-8-yl] 2-[(4aS,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate","","","","","","","","","","","","","","","","","","","","[(8R,9S,9Bs)-9-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-8-yl] 2-[(4aS,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoa","","CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(C(C2=O)OC(=O)C(=C)C4CCC5(CCCC(=C)C5C4)C)(C)O","FLMOJAVDPIWHCR-RINQNAHBSA-N","399997",NA,"PDBC55395","711177","Present"
-"[(8S,11S,13S,17S)-3,17-Dihydroxy-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] nitrate","","","","","","","","","","","","","","","","","","","","7.alpha.-Methyl-3,11.beta.,17.beta.-trihydroxy estra-1,3...","","CC1CC2=C(C=CC(=C2)O)C3C1C4CCC(C4(CC3O[N+](=O)[O-])C)O","JHSXXDAPXQEHEW-ZLYJGEMTSA-N","380841",NA,"PDBC55396","666571","Present"
-"[(8S,9S,10S,13S,14S)-13-Methyl-3,17-dioxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-10-yl] 2,2,2-trifluoroacetate","","","","","","","","","","","","","","","","","","","","[(8S,9S,10S,13S,14S)-13-Methyl-3,17-dioxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-10-yl] 2,2,2-trifluoroacetate","","CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34OC(=O)C(F)(F)F","DLUSTOPOVJCJLR-UNTXSKPGSA-N","394645",NA,"PDBC55397","698247","Present"
-"[(8S,9S,10S,13S,14S,17S)-10-Hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate","","","","","","","","","","","","","","","","","","","","[(8S,9S,10S,13S,14S,17S)-10-Hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate","","CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34O)C","TVMVKFSJVWIRBX-JPRZGNOKSA-N","402599",NA,"PDBC55398","716729","Present"
-"[(8S,9S,13S,14S)-17-Butoxycarbonyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(8S,9S,13S,14S)-17-Butoxycarbonyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate","","CCCCOC(=O)C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C","VJKNRKUVKMLFHQ-WOWRIZBPSA-N","388730",NA,"PDBC55399","683783","Present"
-"[(8S,9S,13S,14S,17S)-1-Acetyloxy-3-chloro-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate","","","","","","","","","","","","","","","","","","","","1,17.beta.-Diacetoxy-3-chloro-4-methylestra-1,3,5(10)-tr...","","CC1=C(C=C(C2=C1CCC3C2CCC4(C3CCC4OC(=O)C)C)OC(=O)C)Cl","NBAFPRNMIISQEL-VKINLPIUSA-N","386116",NA,"PDBC55400","677748","Present"
-"[(8S,9S,13S,14S,17S)-1-Acetyloxy-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate","","","","","","","","","","","","","","","","","","","","1,17.beta.-Diacetoxy-4-methylestra-1,3,5(10)-triene","","CC1=C2CCC3C(C2=C(C=C1)OC(=O)C)CCC4(C3CCC4OC(=O)C)C","GPXCTBVDTQKXOZ-CPXOHJFISA-N","386117",NA,"PDBC55401","677749","Present"
-"[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino] 3,5-dinitrobenzoate","","","","","","","","","","","","","","","","","","","","[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino] 3,5-dinitrobenzoate","","C1=CC=C2C(=C1)C(C(C3=CC=CC=C3C2=NOC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Br)Br","JVHXRUYNEQGIHF-UHFFFAOYSA-N","382532",NA,"PDBC55402","670141","Present"
-"[(9As,10aS)-9a-(acetyloxymethyl)-3-methylidene-2-oxo-4,4a,10,10a-tetrahydro-3aH-furo[3,2-h][3]benzoxepin-5-yl]methyl 2-methylpropanoate","","","","","","","","","","","","","","","","","","","","[(9As,10aS)-9a-(acetyloxymethyl)-3-methylidene-2-oxo-4,4a,10,10a-tetrahydro-3aH-furo[3,2-h][3]benzoxepin-5-yl]methyl 2-methylpropanoate","","CC(C)C(=O)OCC1=COC=CC2(C1CC3C(C2)OC(=O)C3=C)COC(=O)C","XZXVQHIRWDNIBV-JWYNLTDQSA-N","5459271",NA,"PDBC55403","676834","Present"
-"[(9E,14S,15R,15Ar)-6,10,14-trimethyl-3-methylidene-2,5-dioxo-4,6,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate","","","","","","","","","","","","","","","","","","","","[(9E,14S,15R,15Ar)-6,10,14-trimethyl-3-methylidene-2,5-dioxo-4,6,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate","","CC1CCCC(=CCCC(C(=O)CC2C(C1OC(=O)C)OC(=O)C2=C)C)C","YGAGIWNBCJRTRR-LRSNNEJCSA-N","24204962",NA,"PDBC55404","733754","Present"
-"[(9E,19E)-26-[(E)-(4-Aminopiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate","","","","","","","","","","","","","","","","","","","","[(9E,19E)-26-[(E)-(4-Aminopiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,","","CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)N)C","YFTKZLKDLFNELM-BLRLZIFKSA-N","135534698",NA,"PDBC55405","144120","Present"
-"[(9E,19E,21Z)-17-Formyloxy-2,15-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate","","","","","","","","","","","","","","","","","","","","Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-, 21-formate","","CC1C=CC=C(C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1OC=O)C)O)C)OC(=O)C)C)OC)C)C)O)C","HWEBHJHXHLVOBR-NISGPDFNSA-N","5351272",NA,"PDBC55406","239375","Present"
-"[(9E,21Z)-28-(1,3-Dithiolan-2-yl)-2,29,31-trihydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25-dioxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.14,7.115,19.05,30]tritriaconta-1(30),2,4,9,21,23,27(31),28-octaen-13-yl] acetate","","","","","","","","","","","","","","","","","","","","[(9E,21Z)-28-(1,3-Dithiolan-2-yl)-2,29,31-trihydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25-dioxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.14,7.115,19.05,30]tritriaconta-1(30),2,4,9,21","","CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C5C(C1OC(O5)(C)C)C)C)OC(=O)C)C)OC)C)C(=C2C6SCCS6)O)O)C","JELTWYVKSXGXBP-ULFHDISVSA-N","54610764",NA,"PDBC55407","244404","Present"
-"[(9R)-7,7,8,12,13,22-Hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate","","","","","","","","","","","","","","","","","","","","[(9R)-7,7,8,12,13,22-Hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate","","C1=C(C=C(C(=C1O)O)O)C(=O)OC2C3C(C(C(O2)CO)OC(=O)C4=CC(=O)C(C5(C4C6=C(O5)C(=C(C=C6C(=O)O3)O)O)O)(O)O)O","CXTMLIMZRPKULL-XVPGHDECSA-N","385556",NA,"PDBC55408","676828","Present"
-"[(Aminomethyl)(2-aminoethyl)dimethylsilane] platinum(IV)...","","","","","","","","","","","","","","","","","","","","[(Aminomethyl)(2-aminoethyl)dimethylsilane] platinum(IV)...","","","","",NA,"PDBC55409","640322","Present"
-"[(Biphenyl-4-carbonyl)-amino]-acetic acid","","","","","","","","","","","","","","","","","","","","NE33673","","C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)O","MYJXSDFBYVYUCD-UHFFFAOYSA-N","262943",NA,"PDBC55410","96993","Present"
-"[(Dianilinomethyleneamino)-phosphono-methyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[(Dianilinomethyleneamino)-phosphono-methyl]phosphonic acid","","C1=CC=C(C=C1)NC(=NC(P(=O)(O)O)P(=O)(O)O)NC2=CC=CC=C2","PDHFAHULULJQEG-UHFFFAOYSA-N","394250",NA,"PDBC55411","697577","Present"
-"[(E)-(1,2,3,4-Tetrafluorofluoren-9-ylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-(1,2,3,4-Tetrafluorofluoren-9-ylidene)amino]thiourea","","C1=CC=C2C(=C1)C3=C(C2=NNC(=S)N)C(=C(C(=C3F)F)F)F","GVQGBSJWHBZGID-DEDYPNTBSA-N","5380664",NA,"PDBC55412","102378","Present"
-"[(E)-(2,7-Dichloro-4-nitrofluoren-9-ylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-(2,7-Dichloro-4-nitrofluoren-9-ylidene)amino]thiourea","","C1=CC2=C(C=C1Cl)C(=NNC(=S)N)C3=C2C(=CC(=C3)Cl)[N+](=O)[O-]","NPHZXJBRYUAQDC-QGOAFFKASA-N","5380581",NA,"PDBC55413","100804","Present"
-"[(E)-(3,4-Dihydroxyphenyl)methylideneamino]-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[(E)-(3,4-Dihydroxyphenyl)methylideneamino]-trimethylazanium;iodide","","C[N+](C)(C)N=CC1=CC(=C(C=C1)O)O.[I-]","RCBFYNUXDDIGSO-UHFFFAOYSA-N","135476761",NA,"PDBC55414","659126","Present"
-"[(E)-(3-Ethoxypyridin-2-yl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-(3-Ethoxypyridin-2-yl)methylideneamino]thiourea","","CCOC1=C(N=CC=C1)C=NNC(=S)N","HVSPGPWUVBAKPF-WUXMJOGZSA-N","9562139",NA,"PDBC55415","104960","Present"
-"[(E)-(4,6-Dimethoxy-1,3,5-triazin-2-yl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-(4,6-Dimethoxy-1,3,5-triazin-2-yl)methylideneamino]thiourea","","COC1=NC(=NC(=N1)C=NNC(=S)N)OC","XORRNCYMCYJLEX-YCRREMRBSA-N","9561045",NA,"PDBC55416","9433","Present"
-"[(E)-(4-Hexoxyphenyl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-(4-Hexoxyphenyl)methylideneamino]thiourea","","CCCCCCOC1=CC=C(C=C1)C=NNC(=S)N","DCMWDGWVNSYRGF-LFIBNONCSA-N","9555790",NA,"PDBC55417","19728","Present"
-"[(E)-(4-Methoxyphenyl)methylideneamino]carbamic acid","","","","","","","","","","","","","","","","","","","","[(E)-(4-Methoxyphenyl)methylideneamino]carbamic acid","","COC1=CC=C(C=C1)C=NNC(=O)O","PBUFFVDXVPSIOA-UXBLZVDNSA-N","5351796",NA,"PDBC55418","47652","Present"
-"[(E)-1-(1,3-Benzodioxol-5-yl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-1-(1,3-Benzodioxol-5-yl)ethylideneamino]thiourea","","CC(=NNC(=S)N)C1=CC2=C(C=C1)OCO2","HXBOIMVUUOTWTH-WUXMJOGZSA-N","9569944",NA,"PDBC55419","627225","Present"
-"[(E)-1-(2,4,5-Trimethylphenyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-1-(2,4,5-Trimethylphenyl)ethylideneamino]thiourea","","CC1=CC(=C(C=C1C)C(=NNC(=S)N)C)C","KXKXPXRBZRLZFL-GXDHUFHOSA-N","9569888",NA,"PDBC55420","622702","Present"
-"[(E)-1-(2,4-Dimethoxyphenyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-1-(2,4-Dimethoxyphenyl)ethylideneamino]thiourea","","CC(=NNC(=S)N)C1=C(C=C(C=C1)OC)OC","SDIDOEAFBZUEAS-NTUHNPAUSA-N","5397654",NA,"PDBC55421","627224","Present"
-"[(E)-1-(3,4-Dimethylphenyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-1-(3,4-Dimethylphenyl)ethylideneamino]thiourea","","CC1=C(C=C(C=C1)C(=NNC(=S)N)C)C","MMRXEGMXAFJIBQ-UKTHLTGXSA-N","9569886",NA,"PDBC55422","622698","Present"
-"[(E)-1-(4-Ethylphenyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","NSC625216","","CCC1=CC=C(C=C1)C(=NNC(=S)N)C","HXMZCORQSLXYAF-MDWZMJQESA-N","5464928",NA,"PDBC55423","625216","Present"
-"[(E)-1-(4-Phenoxyphenyl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","STL297573","","CC(=NNC(=S)N)C1=CC=C(C=C1)OC2=CC=CC=C2","WHIVBHRWDXJLBI-GZTJUZNOSA-N","9569914",NA,"PDBC55424","625223","Present"
-"[(E)-1-(7-Methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-1-(7-Methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea","","CC1=C([N+](=C2C=C(C=CC2=[N+]1[O-])OC)[O-])C(=NNC(=S)N)C","QRXWALSILNDHMU-VIZOYTHASA-N","135476760",NA,"PDBC55425","634663","Present"
-"[(E)-1-(Benzenesulfonyl)pent-3-enyl]sulfonylbenzene","","","","","","","","","","","","","","","","","","","","[(E)-1-(Benzenesulfonyl)pent-3-enyl]sulfonylbenzene","","CC=CCC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2","QBALMNLFHSAOQA-NSCUHMNNSA-N","5467261",NA,"PDBC55426","649444","Present"
-"[(E)-1-Hydroxy-1-methyl-3-phenyl-allyl]-phenyl-phosphinic acid","","","","","","","","","","","","","","","","","","","","[(E)-1-Hydroxy-1-methyl-3-phenyl-allyl]-phenyl-phosphinic acid","","CC(C=CC1=CC=CC=C1)(O)P(=O)(C2=CC=CC=C2)O","VVGDBQDQVJSODU-OUKQBFOZSA-N","5468243",NA,"PDBC55427","666675","Present"
-"[(E)-1-Hydroxy-3-phenyl-2-propenyl]phosphonic acid dibenzyl ester","","","","","","","","","","","","","","","","","","","","(E)-1-Bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol","","C1=CC=C(C=C1)COP(=O)(C(C=CC2=CC=CC=C2)O)OCC3=CC=CC=C3","MGLUCCMWNDVKBN-WUKNDPDISA-N","5470783",NA,"PDBC55428","705126","Present"
-"[(E)-1-[(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] acetate","","","","","","","","","","","","","","","","","","","","NSC705156///NSC705157","","CC(=O)OC(C=CC1=CC=CC=C1)P2(=O)N(C3CCCCC3N2CC(C)(C)C)CC(C)(C)C","KQTULTQMABLGLP-YOUGSHTCSA-N","54611469",NA,"PDBC55429","705156///705157","Present"
-"[(E)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate","","","","","","","","","","","","","","","","","","","","1H-1,3,2-Benzodiazaphosphole, octahydro-2-[3-phenyl-1-[(...","","C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6","MCZXWZWFFDMLMP-XMXXTNEDSA-N","5470794",NA,"PDBC55430","705140","Present"
-"[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]ethylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]ethylideneamino]thiourea","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=S)N)C","ZVFXINFRSPHLAD-MFKUBSTISA-N","9571358",NA,"PDBC55431","648583","Present"
-"[(E)-1-[2-[5-[(E)-N-(Carbamoylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]urea","","","","","","","","","","","","","","","","","","","","[(E)-1-[2-[5-[(E)-N-(Carbamoylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]urea","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=NNC(=O)N)C)C)C(=NNC(=O)N)C","FLFKFFCPMYWUAY-OKXCLTPOSA-N","9571322",NA,"PDBC55432","642609","Present"
-"[(E)-1-[4-Methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(E)-1-[4-Methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate","","CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)ON=C(C)C3=CC(=C(C=C3)OC)CN4CCOCC4","RWFOAHFPQQDTQL-JVWAILMASA-N","9555370",NA,"PDBC55433","310340","Present"
-"[(E)-1-[[(1R,2R)-2-[Acetyl(2,2-dimethylpropyl)amino]cyclohexyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate","","","","","","","","","","","","","","","","","","","","[(E)-1-[[(1R,2R)-2-[Acetyl(2,2-dimethylpropyl)amino]cyclohexyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate","","CC(=O)N(CC(C)(C)C)C1CCCCC1P(=O)(C(C=CC2=CC=CC=C2)OC(=O)C)OC","OCMKMVZNWHRZGA-CKRXRQQESA-N","5470797",NA,"PDBC55434","705150","Present"
-"[(E)-2,2,3-Trimethyl-3-(tosylaminocarbonyl)cyclopentylidene]acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","[(E)-2,2,3-Trimethyl-3-(tosylaminocarbonyl)cyclopentylidene]acetic acid methyl ester","","CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2(CCC(=CC(=O)OC)C2(C)C)C","YJTIOVKGVCFPDN-WYMLVPIESA-N","5470525",NA,"PDBC55435","702440","Present"
-"[(E)-2-Methyl-4-[(9-tetrahydropyran-2-ylpurin-6-yl)amino]but-2-enyl] dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","[(E)-2-Methyl-4-[(9-tetrahydropyran-2-ylpurin-6-yl)amino]but-2-enyl] dihydrogen phosphate","","CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3CCCCO3)COP(=O)(O)O","RZTXGCBNTFIUEA-VZUCSPMQSA-N","5387779",NA,"PDBC55436","627180","Present"
-"[(E)-2-Phenylethenyl] 4-[(E)-3-(4-acetamidophenoxy)-3-oxoprop-1-enyl]-2-methoxybenzoate","","","","","","","","","","","","","","","","","","","","[(E)-2-Phenylethenyl] 4-[(E)-3-(4-acetamidophenoxy)-3-oxoprop-1-enyl]-2-methoxybenzoate","","CC(=O)NC1=CC=C(C=C1)OC(=O)C=CC2=CC(=C(C=C2)C(=O)OC=CC3=CC=CC=C3)OC","VRQNSNNYTWBZCO-CPSIHHQISA-N","5911663",NA,"PDBC55437","626884","Present"
-"[(E)-3-(1,3-Benzodioxol-5-yl)prop-2-enyl] 3-(3,4,5-trimethoxyphenyl)prop-2-ynoate","","","","","","","","","","","","","","","","","","","","[(E)-3-(1,3-Benzodioxol-5-yl)prop-2-enyl] 3-(3,4,5-trimethoxyphenyl)prop-2-ynoate","","COC1=CC(=CC(=C1OC)OC)C#CC(=O)OCC=CC2=CC3=C(C=C2)OCO3","VQKDDERZYZYUPT-SNAWJCMRSA-N","5357424",NA,"PDBC55438","76991","Present"
-"[(E)-3-(2,3,4,5-Tetrachlorocyclopenta-2,4-dien-1-ylidene)prop-1-enyl]benzene","","","","","","","","","","","","","","","","","","","","[(E)-3-(2,3,4,5-Tetrachlorocyclopenta-2,4-dien-1-ylidene)prop-1-enyl]benzene","","C1=CC=C(C=C1)C=CC=C2C(=C(C(=C2Cl)Cl)Cl)Cl","RKERNVBCOIOPFR-QPJJXVBHSA-N","5860626",NA,"PDBC55439","26113","Present"
-"[(E)-3-(Benzenesulfonyl)allyl]sulfonylbenzene","","","","","","","","","","","","","","","","","","","","[(E)-3-(Phenylsulfonyl)allyl]phenyl sulfone","","C1=CC=C(C=C1)S(=O)(=O)CC=CS(=O)(=O)C2=CC=CC=C2","RSTGVZDDFHPCLL-KPKJPENVSA-N","5387479",NA,"PDBC55440","623968","Present"
-"[(E)-3-Chloroallyl]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-3-Chloroallyl]thiourea","","C(C=CCl)NC(=S)N","NUMFQAGXOMNDNB-OWOJBTEDSA-N","6375073",NA,"PDBC55441","664970","Present"
-"[(E)-3-Phenylprop-2-enyl] 2-nitrooxyacetate","","","","","","","","","","","","","","","","","","","","[(E)-3-Phenylprop-2-enyl] 2-nitrooxyacetate","","C1=CC=C(C=C1)C=CCOC(=O)CO[N+](=O)[O-]","BFYGFTNWJPWZAV-QPJJXVBHSA-N","5387588",NA,"PDBC55442","624959","Present"
-"[(E)-3-Trimethylsilylpent-3-enyl] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[(E)-3-Trimethylsilylpent-3-enyl] 4-methylbenzenesulfonate","","CC=C(CCOS(=O)(=O)C1=CC=C(C=C1)C)[Si](C)(C)C","DOUKSUOGVNCVSI-GIDUJCDVSA-N","357836",NA,"PDBC55443","617369","Present"
-"[(E)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate","","","","","","","","","","","","","","","","","","","","[(E)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate","","CC(=O)OCC=CCN1C(=O)NC(=O)C=N1","LOMCVIBNJVYAJR-NSCUHMNNSA-N","5468888",NA,"PDBC55444","678978","Present"
-"[(E)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[(E)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl]phosphonic acid","","C1=NN(C(=O)NC1=O)CC=CCP(=O)(O)O","ACXAVPIQKKPRPO-OWOJBTEDSA-N","5468892",NA,"PDBC55445","678982","Present"
-"[(E)-4-(6-Bromo-3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate","","","","","","","","","","","","","","","","","","","","[(E)-4-(6-Bromo-3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate","","CC(=O)OCC=CCN1C(=O)NC(=O)C(=N1)Br","WIDZXOUBYCHPRK-NSCUHMNNSA-N","5468895",NA,"PDBC55446","678985","Present"
-"[(E)-5-Methyloxolane-2-ylidene]acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","[(E)-5-Methyloxolane-2-ylidene]acetic acid methyl ester","","CC1CCC(=CC(=O)OC)O1","OSKPHNFOIQIJSF-FNORWQNLSA-N","5387115",NA,"PDBC55447","620509","Present"
-"[(E)-5-[4-[(E)-5-[Diethyl(methyl)azaniumyl]-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-2,2-dimethyl-3-oxopent-4-enyl]-diethyl-methylazanium;bromide","","","","","","","","","","","","","","","","","","","","[(E)-5-[4-[(E)-5-[Diethyl(methyl)azaniumyl]-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-2,2-dimethyl-3-oxopent-4-enyl]-diethyl-methylazanium;bromide","","CC[N+](C)(CC)CC(C)(C)C(=O)C=CC1=CC=C(C=C1)C=CC(=O)C(C)(C)C[N+](C)(CC)CC.[Br-]","BIIUTYUUJLLCNN-ULQNKYRSSA-M","5386922",NA,"PDBC55448","618761","Present"
-"[(E)-5-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylpent-1-enyl]boronic acid","","","","","","","","","","","","","","","","","","","","[(E)-5-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylpent-1-enyl]boronic acid","","B(C=CCCCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N)(O)O","LVPQGYACCGVSCR-DUXPYHPUSA-N","5467463",NA,"PDBC55449","652620","Present"
-"[(E)-5-[6-Amino-9-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-2-yl]sulfanylpent-1-enyl]boronic acid","","","","","","","","","","","","","","","","","","","","[(E)-5-[6-Amino-9-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-2-yl]sulfanylpent-1-enyl]boronic acid","","B(C=CCCCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N)(O)O","JADSJMTVKLPVJU-DUXPYHPUSA-N","5467460",NA,"PDBC55450","652614","Present"
-"[(E)-6,7,8,9-Tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-6,7,8,9-Tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea","","C1CCC(=NNC(=S)N)C2=CC=CC=C2C1","HOKJJMKQHAEGNX-SDNWHVSQSA-N","9571439",NA,"PDBC55451","661439","Present"
-"[(E)-6,7,8,9-Tetrahydrobenzo[7]annulen-5-ylideneamino]urea","","","","","","","","","","","","","","","","","","","","[(E)-6,7,8,9-Tetrahydrobenzo[7]annulen-5-ylideneamino]urea","","C1CCC(=NNC(=O)N)C2=CC=CC=C2C1","ZGVPGUWXAWGLFP-SDNWHVSQSA-N","9571438",NA,"PDBC55452","661437","Present"
-"[(E)-8-Tetracyclo[4.3.0.02,4.03,7]nonanylideneamino]urea","","","","","","","","","","","","","","","","","","","","[(E)-8-Tetracyclo[4.3.0.02,4.03,7]nonanylideneamino]urea","","C1C2C3CC(=NNC(=O)N)C2C4C1C34","GBWINHSBPKVUGH-WUXMJOGZSA-N","5351429",NA,"PDBC55453","673912","Present"
-"[(E)-Anthracen-9-ylmethylideneamino] acetate","","","","","","","","","","","","","","","","","","","","[(E)-Anthracen-9-ylmethylideneamino] acetate","","CC(=O)ON=CC1=C2C=CC=CC2=CC3=CC=CC=C31","UJZASGHNICECFK-WOJGMQOQSA-N","9569465",NA,"PDBC55454","400549","Present"
-"[(E)-But-2-enoxy]methylbenzene;carbon monoxide;chromium","","","","","","","","","","","","","","","","","","","","[(E)-But-2-enoxy]methylbenzene;carbon monoxide;chromium","","","","",NA,"PDBC55455","648861","Present"
-"[(E)-But-2-enyl] 2-nitrooxyacetate","","","","","","","","","","","","","","","","","","","","[(E)-But-2-enyl] 2-nitrooxyacetate","","CC=CCOC(=O)CO[N+](=O)[O-]","IBIDBNNQYWLDDG-NSCUHMNNSA-N","5387589",NA,"PDBC55456","624960","Present"
-"[(E)-C-Benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanium;carbanylium;tin","","","","","","","","","","","","","","","","","","","","[(E)-C-Benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanium;carbanylium;tin","","","","",NA,"PDBC55457","630458","Present"
-"[(E)-N-[(E)-[(2E)-2-[(Z)-[(1-Carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","","","","","","","","","","","","","","","","","[(E)-N-[(E)-[(2E)-2-[(Z)-[(1-Carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","",NA,"PDBC55458","630989","Present"
-"[(E)-N-[(E)-[(2E)-2-[(Z)-[(2-Carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","","","","","","","","","","","","","","","","","[(E)-N-[(E)-[(2E)-2-[(Z)-[(2-Carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","",NA,"PDBC55459","630994","Present"
-"[(E)-N-[(E)-[(2E)-2-[(Z)-[(Carboxymethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","","","","","","","","","","","","","","","","","[(E)-N-[(E)-[(2E)-2-[(Z)-[(Carboxymethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","",NA,"PDBC55460","630986","Present"
-"[(E)-N-[(E)-[(2E)-2-[(Z)-[[(1-Carboxy-2-phenylethyl)amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","","","","","","","","","","","","","","","","","[(E)-N-[(E)-[(2E)-2-[(Z)-[[(1-Carboxy-2-phenylethyl)amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","",NA,"PDBC55461","630990","Present"
-"[(E)-N-[(E)-[(2E)-2-[(Z)-[[(1-Carboxy-3-methylsulfanylpropyl)amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","","","","","","","","","","","","","","","","","[(E)-N-[(E)-[(2E)-2-[(Z)-[[(1-Carboxy-3-methylsulfanylpropyl)amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","",NA,"PDBC55462","630993","Present"
-"[(E)-N-[(E)-[(2E)-2-[(Z)-[[2-(1H-Imidazol-5-yl)ethylamino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","","","","","","","","","","","","","","","","","[(E)-N-[(E)-[(2E)-2-[(Z)-[[2-(1H-Imidazol-5-yl)ethylamino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","",NA,"PDBC55463","630988","Present"
-"[(E)-N-[(E)-[(2E)-2-[(Z)-[[[1-Carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","","","","","","","","","","","","","","","","","[(E)-N-[(E)-[(2E)-2-[(Z)-[[[1-Carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","",NA,"PDBC55464","630987","Present"
-"[(E)-N-[(E)-[(2E)-2-[(Z)-[[[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","","","","","","","","","","","","","","","","","[(E)-N-[(E)-[(2E)-2-[(Z)-[[[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel","","","","",NA,"PDBC55465","630992","Present"
-"[(E)-N-[2-(Carboxymethylsulfanyl)-4-chloro-5-methylphenyl]sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide","","","","","","","","","","","","","","","","","","","","[(E)-N-[2-(Carboxymethylsulfanyl)-4-chloro-5-methylphenyl]sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide","","CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)N=C([N-]S(=O)(=O)C2=CC=C(C=C2)Cl)[N+]3=CC=C(C=C3)N(C)C","SVPTYJLKPKFWIP-UHFFFAOYSA-N","9572493",NA,"PDBC55466","717957","Present"
-"[(E)-Pyridin-3-ylmethylideneamino] N-(2-chloroethyl)carbamate;hydrochloride","","","","","","","","","","","","","","","","","","","","[(E)-Pyridin-3-ylmethylideneamino] N-(2-chloroethyl)carbamate;hydrochloride","","C1=CC(=CN=C1)C=NOC(=O)NCCCl.Cl","CPXUKUAJSMWLGA-FTPOTTDRSA-N","9569838",NA,"PDBC55467","621942","Present"
-"[(E)-[(1E)-1-(Carbamothioylhydrazinylidene)-3-(2-methoxyethoxy)butan-2-ylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-[(1E)-1-(Carbamothioylhydrazinylidene)-3-(2-methoxyethoxy)butan-2-ylidene]amino]thiourea","","CC(C(=NNC(=S)N)C=NNC(=S)N)OCCOC","LSTBLFGRQOSBQF-HBGINIEDSA-N","9614290",NA,"PDBC55468","101319","Present"
-"[(E)-[(3S)-3-Acetyloxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino] 4-[bis(2-chloroethyl)amino]benzoate","","","","","","","","","","","","","","","","","","","","17E-(4-(Bis(2-chloroethyl)amino)benzoyloxyimino)-5-andro...","","CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=NOC(=O)C5=CC=C(C=C5)N(CCCl)CCCl)C)C","YQVHDFBTVBMKKA-HVESJLOWSA-N","155814407",NA,"PDBC55469","761906","Present"
-"[(E)-[(3S,8R,10R,13S)-10,13-Dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino] N-ethylcarbamate","","","","","","","","","","","","","","","","","","","","[(E)-[(3S,8R,10R,13S)-10,13-Dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino] N-ethylcarbamate","","CCNC(=O)ON=C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5CCCCO5)C)C","PFRLVNVJKGKXOK-HPWKMWPCSA-N","9569956",NA,"PDBC55470","629225","Present"
-"[(E)-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-Fluoro-17-(2-hexanoyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(E)-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-Fluoro-17-(2-hexanoyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine","","CCCCCC(=O)OCC(=O)C1C(CC2C1(CC(C3C2CC(C4=CC(=NOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C=CC34C)F)O)C)C","SWWFYEFPGVFWNB-GLOFCQFWSA-N","9572000",NA,"PDBC55471","684408","Present"
-"[(E)-[(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(E)-[(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] acridine-4-carboxylate","","CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NOC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)CCC34","RVZCJQPQXZJTBZ-PDHQMZKCSA-N","9572108",NA,"PDBC55472","703873","Present"
-"[(E)-[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-propanoyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(E)-[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-propanoyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate","","CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34C)C","JYRURPNBAOWHTI-OCTMWCKJSA-N","9571991",NA,"PDBC55473","683412","Present"
-"[(E)-[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-propanoyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(E)-[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-propanoyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] acridine-4-carboxylate","","CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NOC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)CCC34C)C","RZKAVZUVSAOJAF-RBKOKMFKSA-N","9572110",NA,"PDBC55474","703875","Present"
-"[(E)-[(8R,9S,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(E)-[(8R,9S,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate","","CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34","LNSRLWLDTBUMPE-SCFHEKCPSA-N","9571993",NA,"PDBC55475","683784","Present"
-"[(E)-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-[(Z)-C-methyl-N-(9-oxo-10H-acridine-4-carbonyl)oxycarbonimidoyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate","","","","","","","","","","","","","","","","","","","","[(E)-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-[(Z)-C-methyl-N-(9-oxo-10H-acridine-4-carbonyl)oxycarbonimidoyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-ox","","CC(=NOC(=O)C1=CC=CC2=C1NC3=CC=CC=C3C2=O)C4CCC5C4(CCC6C5CCC7=CC(=NOC(=O)C8=CC=CC9=C8NC1=CC=CC=C1C9=O)CCC67C)C","JSXVUCANRATZAP-BKIHGHNFSA-N","24202547",NA,"PDBC55476","684411","Present"
-"[(E)-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea","","CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=S)N)C=CC5=CC=C(C=C5)[N+](=O)[O-]","XAZIYJYEOSJEBK-HEUWKEECSA-N","5932655",NA,"PDBC55477","642640","Present"
-"[(E)-[(Z)-3-Anilino-2-nitro-prop-2-enylidene]amino]urea","","","","","","","","","","","","","","","","","","","","[(E)-[(Z)-3-Anilino-2-nitro-prop-2-enylidene]amino]urea","","C1=CC=C(C=C1)N=CC(=CNNC(=O)N)[N+](=O)[O-]","VQCODACAKBQHTC-LJJHHVQASA-N","5465383",NA,"PDBC55478","647251","Present"
-"[(E)-[1-(2-Chloroethyl)indol-3-yl]methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-[1-(2-Chloroethyl)indol-3-yl]methyleneamino]thiourea","","C1=CC=C2C(=C1)C(=CN2CCCl)C=NNC(=S)N","DHXKFYXCSHBACM-VIZOYTHASA-N","9554732",NA,"PDBC55479","649010","Present"
-"[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] N,N-dimethylcarbamate","","","","","","","","","","","","","","","","","","","","[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] N,N-dimethylcarbamate","","CN(C)C(=O)ON=C1C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O","MLKUAMJCAHRSRD-CJLVFECKSA-N","135436302",NA,"PDBC55480","717841","Present"
-"[(E)-[2-[1-(2,4-Dinitroanilino)vinyl]chromen-4-ylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-[2-[1-(2,4-Dinitroanilino)vinyl]chromen-4-ylidene]amino]thiourea","","C=C(C1=CC(=NNC(=S)N)C2=CC=CC=C2O1)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","HXNDNUNHSNUWDD-KGENOOAVSA-N","9571376",NA,"PDBC55481","649804","Present"
-"[(E)-[3,5,5-Trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclohex-2-en-1-ylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-[6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ylidene]amino]thiourea","","CC1=CC(=NNC(=S)N)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O","JFUDBCXCGILAGW-QPSGOUHRSA-N","9571423",NA,"PDBC55482","659270","Present"
-"[(E)-[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea; platinum(2+)","","","","","","","","","","","","","","","","","","","","[(E)-[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea; platinum(2+)","","","","",NA,"PDBC55483","613670","Present"
-"[(E)-[3-Methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine","","","","","","","","","","","","","","","","","","","","[(E)-[3-Methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine","","CC1=C(C(=NN1)C(F)(F)F)N=NN2CCOCC2","ZCMKKFLZOGVHPV-UHFFFAOYSA-N","279924",NA,"PDBC55484","131238","Present"
-"[(E)-[4,4,4-Trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-[4,4,4-Trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butylidene]amino]thiourea","","CC(=NNC(=S)N)CC(C(F)(F)F)(C(F)(F)F)O","TZLCLAJZJQCGIR-CRKCGEKBSA-N","9554734",NA,"PDBC55485","659187","Present"
-"[(E)-[4,4,4-Trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butylidene]amino]urea","","","","","","","","","","","","","","","","","","","","[(E)-[4,4,4-Trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butylidene]amino]urea","","CC(=NNC(=O)N)CC(C(F)(F)F)(C(F)(F)F)O","IYPWRMBIPMZJCT-CRKCGEKBSA-N","9555940",NA,"PDBC55486","659190","Present"
-"[(E)-[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methyleneamino]thiourea","","COC1=C(C=C(C=C1)C2=C(OC(=C2[N+](=O)[O-])C=NNC(=S)N)C3=CC(=C(C=C3)OC)OC)OC","PHNWBQNPWVTOQH-BHGWPJFGSA-N","9554691",NA,"PDBC55487","647259","Present"
-"[(E)-[4-[[6-[[4-[(Z)-(Carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-[4-[[6-[[4-[(Z)-(Carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea","","C1=CC(=NC(=C1)COC2=CC=C(C=C2)C=NNC(=S)N)COC3=CC=C(C=C3)C=NNC(=S)N","QKIKXJHJUBRLPQ-MKMZHBJZSA-N","5471967",NA,"PDBC55488","715647","Present"
-"[(E)-[5-Amino-4-(morpholinomethyl)-2-pyridyl]methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(E)-[5-Amino-4-(morpholinomethyl)-2-pyridyl]methyleneamino]thiourea","","C1COCCN1CC2=CC(=NC=C2N)C=NNC(=S)N","YJSBDJWAONKLBM-OMCISZLKSA-N","9571641",NA,"PDBC55489","693886","Present"
-"[(E)-[5-Fluoro-2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","2-((5-fluoro-2-(4-(methylsulfonyl)phenyl)-1H-indol-3-yl)...","","CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)C=NNC(=S)N","LEAHOGHZIYEMQE-AWQFTUOYSA-N","155812680",NA,"PDBC55490","801886","Present"
-"[(E)-alpha,4-Difluorostyryl]phosphonic acid diethyl ester","","","","","","","","","","","","","","","","","","","","[(E)-alpha,4-Difluorostyryl]phosphonic acid diethyl ester","","CCOP(=O)(C(=CC1=CC=C(C=C1)F)F)OCC","YLJOPYBVOOTNFQ-FMIVXFBMSA-N","5910555",NA,"PDBC55491","682311","Present"
-"[(E)-hydroxyimino[?]yl] acetate","","","","","","","","","","","","","","","","","","","","[(E)-hydroxyimino[?]yl] acetate","","CC(=O)OC12C(CCCCCC1=NO)C3=CC=CC=C23","QHNXIXKNGVLYPZ-BMRADRMJSA-N","9555915",NA,"PDBC55492","655289","Present"
-"[(E,1R)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate","","","","","","","","","","","","","","","","","","","","[(E,1R)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate","","C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6","MCZXWZWFFDMLMP-JCIKPBOZSA-N","54611949",NA,"PDBC55493","716791","Present"
-"[(E,1R)-1-[(3As,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate","","","","","","","","","","","","","","","","","","","","[(E,1R)-1-[(3As,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate","","C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6","MCZXWZWFFDMLMP-LIGRKOTKSA-N","54611951",NA,"PDBC55494","716793","Present"
-"[(E,1S)-1-[(2R,3Ar,5S,6aR)-5-[(1R)-1-(4-nitrobenzoyl)oxyprop-2-ynyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]hex-3-enyl] 4-nitrobenzoate","","","","","","","","","","","","","","","","","","","","[(E,1S)-1-[(2R,3Ar,5S,6aR)-5-[(1R)-1-(4-nitrobenzoyl)oxyprop-2-ynyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]hex-3-enyl] 4-nitrobenzoate","","CCC=CCC(C1CC2C(O1)CC(O2)C(C#C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","IEZYBFJXCJNKLM-UMYIITBUSA-N","5469984",NA,"PDBC55495","695213","Present"
-"[(E,1S)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate","","","","","","","","","","","","","","","","","","","","[(E,1S)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate","","C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6","MCZXWZWFFDMLMP-DQMOSSGASA-N","54611948",NA,"PDBC55496","716790","Present"
-"[(E,1S)-1-[(3As,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate","","","","","","","","","","","","","","","","","","","","[(E,1S)-1-[(3As,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate","","C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6","MCZXWZWFFDMLMP-NVOFOMFTSA-N","54611950",NA,"PDBC55497","716792","Present"
-"[(E,2R)-3,5-Dimethyl-2,6-bis(phenylmethoxy)hex-3-enoxy]methylbenzene","","","","","","","","","","","","","","","","","","","","[(E,2R)-3,5-Dimethyl-2,6-bis(phenylmethoxy)hex-3-enoxy]methylbenzene","","CC(COCC1=CC=CC=C1)C=C(C)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3","AMYBQWRZQWNLFU-HZPOHUSUSA-N","5387041",NA,"PDBC55498","619968","Present"
-"[(Heptylamino)methylene]-1,1-bisphosphonate","","","","","","","","","","","","","","","","","","","","[(heptylamino)methylene]-1,1-bisphosphonate","","CCCCCCCNC(P(=O)(O)O)P(=O)(O)O","XKNJFNYUUOXFDP-UHFFFAOYSA-N","405388",NA,"PDBC55499","722617","Present"
-"[(N-nosylimino)iodo]benzene","","","","","","","","","","","","","","","","","","","","[(N-nosylimino)iodo]benzene","","C1=CC=C(C=C1)I=NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","PLLRSULCZLJOMW-UHFFFAOYSA-N","386471",NA,"PDBC55500","678497","Present"
-"[(Palm-D-Lys(Pro-Lys-Lys-Lys-Arg-Lys-Val)Pro-Gly)1D-Phe2 Pro3 D-Lys6]-LH-RH","","","","","","","","","","","","","","","","","","","","[(Palm-D-Lys(Pro-Lys-Lys-Lys-Arg-Lys-Val)Pro-Gly)1D-Phe2...","","CCCCCCCCCCCCCCC(=O)NC(CCCCNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)N)C(=O)CN2CCCC2C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)NC(CO)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N","NYHACKDXDUZEHY-UHFFFAOYSA-N","24205862",NA,"PDBC55501","737028","Present"
-"[(Palm-D-Lys-Gly)1 D-Phe2 Pro3 D-Lys6]-LH-RH","","","","","","","","","","","","","","","","","","","","[(Palm-D-Lys-Gly)1 D-Phe2 Pro3 D-Lys6]-LH-RH","","CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N4CCCC4C(=O)NCC(=O)N","RHXJRBNNAKRZAL-UHFFFAOYSA-N","24205860",NA,"PDBC55502","737026","Present"
-"[(Palm-D-Lys-Pro-Gly)1 D-Phe2 Pro3 D-Lys6]-LH-RH","","","","","","","","","","","","","","","","","","","","[(Palm-D-Lys-Pro-Gly)1 D-Phe2 Pro3 D-Lys6]-LH-RH","","CCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CN1CCCC1C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N5CCCC5C(=O)NCC(=O)N","ITADCDHQOAJYRV-UHFFFAOYSA-N","24205859",NA,"PDBC55503","737025","Present"
-"[(Palm-Pro-Gly)1 D-Phe2 Ala3 D-Lys6]-LH-RH","","","","","","","","","","","","","","","","","","","","[(Palm-Pro-Gly)1 D-Phe2 Ala3 D-Lys6]-LH-RH","","CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N4CCCC4C(=O)NCC(=O)N","FSDTVYGKLANONT-UHFFFAOYSA-N","24205861",NA,"PDBC55504","737027","Present"
-"[(Palm-Pro-Gly)1 D-Phe2 Pro3 D-Lys(H-Pro-Lys-Lys-Lys-Arg-Lys-Val) 6]-LH-RH","","","","","","","","","","","","","","","","","","","","[(Palm-Pro-Gly)1 D-Phe2 Pro3 D-Lys(H-Pro-Lys-Lys-Lys-Arg...","","CCCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CCCCNC(=O)C5CCCN5C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N","DMWOWVCBABDXOT-UHFFFAOYSA-N","24205863",NA,"PDBC55505","737029","Present"
-"[(Z)-(1-Chloro-2-methylpropylidene)amino] N-[4-(trifluoromethoxy)phenyl]carbamate","","","","","","","","","","","","","","","","","","","","[(Z)-(1-Chloro-2-methylpropylidene)amino] N-[4-(trifluoromethoxy)phenyl]carbamate","","CC(C)C(=NOC(=O)NC1=CC=C(C=C1)OC(F)(F)F)Cl","ZTVMANIEPQFOCX-ZDLGFXPLSA-N","9556199",NA,"PDBC55506","672056","Present"
-"[(Z)-(1-Hydrazino-2-phenyl-ethylidene)amino]thiourea","","","","","","","","","","","","","","","","","","","","[(Z)-(1-Hydrazino-2-phenyl-ethylidene)amino]thiourea","","C1=CC=C(C=C1)CC(=NN)NNC(=S)N","JTUPEICVTAAZMJ-UHFFFAOYSA-N","5920013",NA,"PDBC55507","642652","Present"
-"[(Z)-(2,6-Dichloro-3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate","","","","","","","","","","","","","","","","","","","","[(Z)-(2,6-Dichloro-3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate","","C1=CC(=C(C=C1NC(=O)ON=CC2=C(C=CC(=C2Cl)[N+](=O)[O-])Cl)Cl)Cl","LBKDDFLZINZFIG-SWNXQHNESA-N","54604080",NA,"PDBC55508","107818","Present"
-"[(Z)-(3,3-Dimethylnorbornan-2-ylidene)amino]urea","","","","","","","","","","","","","","","","","","","","[(Z)-(3,3-Dimethylnorbornan-2-ylidene)amino]urea","","CC1(C2CCC(C2)C1=NNC(=O)N)C","JIXUDARVWQCSOK-WQLSENKSSA-N","6284943",NA,"PDBC55509","670176","Present"
-"[(Z)-(5-Amino-4-methylisoquinolin-1-yl)methylideneamino]thiourea;methanesulfonic acid","","","","","","","","","","","","","","","","","","","","[(Z)-(5-Amino-4-methylisoquinolin-1-yl)methylideneamino]thiourea;methanesulfonic acid","","CC1=CN=C(C2=C1C(=CC=C2)N)C=NNC(=S)N.CS(=O)(=O)O","QHYDSWKICJWAAZ-NKBLJONXSA-N","6916213",NA,"PDBC55510","316160","Present"
-"[(Z)-(5-Aminoisoquinolin-1-yl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","isoquinaldaldehyde, 5-amino-, thiosemicarbazone (8ci)","","C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)N","MLTULNASULCZLR-UUASQNMZSA-N","6069240",NA,"PDBC55511","205105","Present"
-"[(Z)-(5-Aminopyridin-2-yl)methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-[(5-amino-2-pyridinyl)methyle...","","C1=CC(=NC=C1N)C=NNC(=S)N","AUTPZEFNZJADCK-NYYWCZLTSA-N","9556467",NA,"PDBC55512","266743","Present"
-"[(Z)-(6,9-Dimethoxyindeno[1,2-c]quinolin-11-ylidene)amino] acetate","","","","","","","","","","","","","","","","","","","","[(Z)-(6,9-Dimethoxyindeno[1,2-c]quinolin-11-ylidene)amino] acetate","","CC(=O)ON=C1C2=C(C=CC(=C2)OC)C3=C1C4=CC=CC=C4N=C3OC","UEQRIKWUTKVIQZ-QOCHGBHMSA-N","24205578",NA,"PDBC55513","736187","Present"
-"[(Z)-(7-Methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-ylidene)amino]urea","","","","","","","","","","","","","","","","","","","","[(Z)-(7-Methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-ylidene)amino]urea","","CC12CCC(=NNC(=O)N)C=C1CCC3=C2C=CC(=C3)OC","ZAONFEXQEUMPKU-UYRXBGFRSA-N","9571352",NA,"PDBC55514","647378","Present"
-"[(Z)-(9-Methoxy-6-oxo-5H-indeno[1,2-c]quinolin-11-ylidene)amino] acetate","","","","","","","","","","","","","","","","","","","","[(Z)-(9-Methoxy-6-oxo-5H-indeno[1,2-c]quinolin-11-ylidene)amino] acetate","","CC(=O)ON=C1C2=C(C=CC(=C2)OC)C3=C1C4=CC=CC=C4NC3=O","MCZVOYAFIHWNLF-UZYVYHOESA-N","135580410",NA,"PDBC55515","734656","Present"
-"[(Z)-(9-Methoxyindeno[1,2-c]quinolin-11-ylidene)amino] acetate","","","","","","","","","","","","","","","","","","","","[(Z)-(9-Methoxyindeno[1,2-c]quinolin-11-ylidene)amino] acetate","","CC(=O)ON=C1C2=C(C=CC(=C2)OC)C3=C1C4=CC=CC=C4N=C3","LAHRUUMKPJXVSF-VZCXRCSSSA-N","24205575",NA,"PDBC55516","736184","Present"
-"[(Z)-2-Cyclopentyloxyethenyl] acetate","","","","","","","","","","","","","","","","","","","","NSC699754","","CC(=O)OC=COC1CCCC1","YDZJDFIHOLYODF-SREVYHEPSA-N","5470335",NA,"PDBC55517","699754","Present"
-"[(Z)-3-Chloroprop-1-enoxy]carbonyl acetate","","","","","","","","","","","","","","","","","","","","[(Z)-3-Chloroprop-1-enoxy]carbonyl acetate","","CC(=O)OC(=O)OC=CCCl","NCQAZLHPUWDRSC-RQOWECAXSA-N","5387029",NA,"PDBC55518","619928","Present"
-"[(Z)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate","","","","","","","","","","","","","","","","","","","","[(Z)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate","","CC(=O)OCC=CCN1C(=O)NC(=O)C=N1","LOMCVIBNJVYAJR-IHWYPQMZSA-N","5468887",NA,"PDBC55519","678977","Present"
-"[(Z)-4-(6-Bromo-3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate","","","","","","","","","","","","","","","","","","","","[(Z)-4-(6-Bromo-3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate","","CC(=O)OCC=CCN1C(=O)NC(=O)C(=N1)Br","WIDZXOUBYCHPRK-IHWYPQMZSA-N","5468894",NA,"PDBC55520","678984","Present"
-"[(Z)-4-Nitro-5-phenanthren-9-ylpent-4-enyl] acetate","","","","","","","","","","","","","","","","","","","","4-Penten-1-ol, 4-nitro-5-(9-phenanthryl)-, acetate","","CC(=O)OCCCC(=CC1=CC2=CC=CC=C2C3=CC=CC=C31)[N+](=O)[O-]","YIAWNHCXKUPDLR-JXAWBTAJSA-N","5380575",NA,"PDBC55521","100777","Present"
-"[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-(triethylazaniumyl)carbonimidoyl]-(4-chlorophenyl)sulfonylazanide","","","","","","","","","","","","","","","","","","","","[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-(triethylazaniumyl)carbonimidoyl]-(4-chlorophenyl)sulfonylazanide","","CC[N+](CC)(CC)C(=NS(=O)(=O)C1=C(C=C(C(=C1)C)Cl)S)[N-]S(=O)(=O)C2=CC=C(C=C2)Cl","KTIIHSILGYTEHA-UHFFFAOYSA-N","9572355",NA,"PDBC55522","713026","Present"
-"[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(2,5-dichlorothiophen-3-yl)sulfonylazanide","","","","","","","","","","","","","","","","","","","","[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(2,5-dichlorothiophen-3-yl)sulfonylazanide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C([N-]S(=O)(=O)C2=C(SC(=C2)Cl)Cl)[N+]3=CC=C(C=C3)N(C)C","HONDEZYHUJLVFN-UHFFFAOYSA-N","9572354",NA,"PDBC55523","713025","Present"
-"[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide","","","","","","","","","","","","","","","","","","","","[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C([N-]S(=O)(=O)C2=CC=C(C=C2)Cl)[N+]3=CC=C(C=C3)N(C)C","CVGRGQFASLXFMO-UHFFFAOYSA-N","9572352",NA,"PDBC55524","713023","Present"
-"[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 3,4-dichlorobenzoate","","","","","","","","","","","","","","","","","","","","[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 3,4-dichlorobenzoate","","C1CC(=CC2=CC=CC=C2)C(=NOC(=O)C3=CC(=C(C=C3)Cl)Cl)C1","SXDUFHVPFVDDDD-UAXFXBOISA-N","5930671",NA,"PDBC55525","629640","Present"
-"[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-chlorobenzoate","","","","","","","","","","","","","","","","","","","","[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-chlorobenzoate","","C1CC(=CC2=CC=CC=C2)C(=NOC(=O)C3=CC=C(C=C3)Cl)C1","OBAZIFAXNYZODE-GCNHKXQDSA-N","5933248",NA,"PDBC55526","629641","Present"
-"[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-methoxybenzoate","","","","","","","","","","","","","","","","","","","","[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-methoxybenzoate","","COC1=CC=C(C=C1)C(=O)ON=C2CCCC2=CC3=CC=CC=C3","JPEHXBNJNKFMBG-JNWXMYNPSA-N","6077192",NA,"PDBC55527","629652","Present"
-"[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-nitrobenzoate","","","","","","","","","","","","","","","","","","","","[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-nitrobenzoate","","C1CC(=CC2=CC=CC=C2)C(=NOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C1","ADUJMBNROFOHIU-LDORSNRDSA-N","5930381",NA,"PDBC55528","629647","Present"
-"[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] benzoate","","","","","","","","","","","","","","","","","","","","[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] benzoate","","C1CC(=CC2=CC=CC=C2)C(=NOC(=O)C3=CC=CC=C3)C1","YLFWHGYQKGQRHV-RRQVPDQSSA-N","5404020",NA,"PDBC55529","629648","Present"
-"[(Z)-[(3-Hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-(4-methoxyphenyl)methylidene]amino]urea","","","","","","","","","","","","","","","","","","","","[(Z)-[(3-Hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-(4-methoxyphenyl)methylidene]amino]urea","","COC1=CC=C(C=C1)C(=NNC(=O)N)C2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O","AOEOXWMQNTWQRN-ZHZULCJRSA-N","6163531",NA,"PDBC55530","618416","Present"
-"[(Z)-[2-[2-(2-Hydroxy-1-oxo-tetralin-2-yl)ethyl]tetralin-1-ylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","[(Z)-[2-[2-(2-Hydroxy-1-oxo-tetralin-2-yl)ethyl]tetralin-1-ylidene]amino]thiourea","","C1CC2=CC=CC=C2C(=NNC(=S)N)C1CCC3(CCC4=CC=CC=C4C3=O)O","HLNWYZBGDBIXCE-QQTULTPQSA-N","9571467",NA,"PDBC55531","667064","Present"
-"[(Z)-[2-[[6-[[2-[(Z)-(Carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","[(Z)-[2-[[6-[[2-[(Z)-(Carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea","","C1=CC=C(C(=C1)C=NNC(=S)N)OCC2=NC(=CC=C2)COC3=CC=CC=C3C=NNC(=S)N","ZZAUGKCEPFFRMA-KTDSDSLMSA-N","54611756",NA,"PDBC55532","715648","Present"
-"[(Z)-[2-[[6-[[2-[(Z)-(Carbamoylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]urea","","","","","","","","","","","","","","","","","","","","[(Z)-[2-[[6-[[2-[(Z)-(Carbamoylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]urea","","C1=CC=C(C(=C1)C=NNC(=O)N)OCC2=NC(=CC=C2)COC3=CC=CC=C3C=NNC(=O)N","CSQCCUMKTOFGQT-KTDSDSLMSA-N","54604867",NA,"PDBC55533","714407","Present"
-"[(Z)-[4-(2,4-Dichloroanilino)-2-oxo-1-naphthylidene]amino]thiourea","","","","","","","","","","","","","","","","","","","","[(Z)-[4-(2,4-Dichloroanilino)-2-oxo-1-naphthylidene]amino]thiourea","","C1=CC=C2C(=C1)C(=CC(=C2N=NC(=S)N)O)NC3=C(C=C(C=C3)Cl)Cl","IHEGDXDRNFXKNE-UHFFFAOYSA-N","3000994",NA,"PDBC55534","657676","Present"
-"[(Z)-[5-(1,1,2,2,3,3,3-Heptafluoropropyl)isoquinolin-1-yl]methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-[[5-(heptafluoropropyl)-1-iso...","","C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)C(C(C(F)(F)F)(F)F)(F)F","IYJACKLHQZCAOV-UMDHDWCXSA-N","5995822",NA,"PDBC55535","185042","Present"
-"[(Z)-[5-(Trifluoromethyl)isoquinolin-1-yl]methylideneamino]thiourea","","","","","","","","","","","","","","","","","","","","Hydrazinecarbothioamide, 2-[[5-(trifluoromethyl)-1-isoqu...","","C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)C(F)(F)F","LVZDIKXEFVVOAF-FXBPXSCXSA-N","5873452",NA,"PDBC55536","185040","Present"
-"[(Z)-[6-[3-[(E)-N-Acetyloxy-C-methylcarbonimidoyl]anilino]-9-methoxyindeno[1,2-c]quinolin-11-ylidene]amino] acetate","","","","","","","","","","","","","","","","","","","","[(Z)-[6-[3-[(E)-N-Acetyloxy-C-methylcarbonimidoyl]anilino]-9-methoxyindeno[1,2-c]quinolin-11-ylidene]amino] acetate","","CC(=NOC(=O)C)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=C(C4=NOC(=O)C)C=C(C=C5)OC","HWKOBLZZVGIPSL-OKJQJVAISA-N","24205580",NA,"PDBC55537","736189","Present"
-"[(Z)-[6-[4-[(E)-N-Acetyloxy-C-methylcarbonimidoyl]anilino]-9-methoxyindeno[1,2-c]quinolin-11-ylidene]amino] acetate","","","","","","","","","","","","","","","","","","","","[(Z)-[6-[4-[(E)-N-Acetyloxy-C-methylcarbonimidoyl]anilino]-9-methoxyindeno[1,2-c]quinolin-11-ylidene]amino] acetate","","CC(=NOC(=O)C)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C5=C(C4=NOC(=O)C)C=C(C=C5)OC","KFZTVOOQICQANC-OKJQJVAISA-N","24205579",NA,"PDBC55538","736188","Present"
-"[(Z)-[Amino-(4-methylphenyl)methylidene]amino] (Z)-3-acetyloxybut-2-enoate","","","","","","","","","","","","","","","","","","","","[(Z)-[Amino-(4-methylphenyl)methylidene]amino] (Z)-3-acetyloxybut-2-enoate","","CC1=CC=C(C=C1)C(=NOC(=O)C=C(C)OC(=O)C)N","AGTZGVBKLYJDAG-NTMALXAHSA-N","9569812",NA,"PDBC55539","619190","Present"
-"[1,1'-Binaphthalene]-3,3',4,4'-tetrone, 2,2',6,6'-tetramethyl-","","","","","","","","","","","","","","","","","","","","[1,1'-Binaphthalene]-3,3',4,4'-tetrone, 2,2',6,6'-tetram...","","CC1=CC2=C(C=C1)C(=C(C(=O)C2=O)C)C3=C(C(=O)C(=O)C4=C3C=CC(=C4)C)C","INZJEVFGUQNHRA-UHFFFAOYSA-N","386890",NA,"PDBC55540","679748","Present"
-"[1,1'-Binaphthalene]-3,4-dione, 2',7-dihydroxy-","","","","","","","","","","","","","","","","","","","","6-Hydroxy-4-(2-hydroxy-1-naphthyl)naphthalene-1,2-dione","","C1=CC=C2C(=C1)C=CC(=C2C3=CC(=O)C(=O)C4=C3C=C(C=C4)O)O","VNUAKVWFRMEBEP-UHFFFAOYSA-N","364885",NA,"PDBC55541","631700","Present"
-"[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di(1-piperidinyl)-","","","","","","","","","","","","","","","","","","","","[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di(1-piperidinyl)-","","C1CCN(CC1)C2=C(C3=CC=CC=C3C(=C2)C4=CC(=C(C5=CC=CC=C54)O)N6CCCCC6)O","PBWRKFLYAGYRHA-UHFFFAOYSA-N","379384",NA,"PDBC55542","663926","Present"
-"[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di-4-morpholinyl-","","","","","","","","","","","","","","","","","","","","[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di-4-morpholinyl-","","C1COCCN1C2=C(C3=CC=CC=C3C(=C2)C4=CC(=C(C5=CC=CC=C54)O)N6CCOCC6)O","HSMSIXLBEUEYGC-UHFFFAOYSA-N","382422",NA,"PDBC55543","669985","Present"
-"[1,1'-Binaphthalene]-8,8'-dicarboxylic acid","","","","","","","","","","","","","","","","","","","","Dina acid","","C1=CC2=C(C(=C1)C3=CC=CC4=C3C(=CC=C4)C(=O)O)C(=CC=C2)C(=O)O","XGDAODQNSVFBGM-UHFFFAOYSA-N","94908",NA,"PDBC55544","7810","Present"
-"[1,1'-Binaphthalene]-8-carboxaldehyde, 2,2',7,7'-tetrahydroxy-","","","","","","","","","","","","","","","","","","","","8-(2,7-Dihydroxy-1-naphthyl)-2,7-dihydroxy-naphthalene-1-carbaldehyde","","C1=CC(=CC2=C1C=CC(=C2C3=C(C=CC4=C3C(=C(C=C4)O)C=O)O)O)O","KMCHFCKHNHBQNL-UHFFFAOYSA-N","374354",NA,"PDBC55545","651926","Present"
-"[1,1'-Biphenyl]-4-yl(cyano)methyl diethyl phosphate","","","","","","","","","","","","","","","","","","","","[1,1'-Biphenyl]-4-yl(cyano)methyl diethyl phosphate","","CCOP(=O)(OCC)OC(C#N)C1=CC=C(C=C1)C2=CC=CC=C2","NMCYMTOSPVPREO-UHFFFAOYSA-N","369715",NA,"PDBC55546","641768","Present"
-"[1,2,3,4,5-Pentakis(methoxycarbonyl)cyclopenta-2,4-dien-1-yl]potassium","","","","","","","","","","","","","","","","","","","","[1,2,3,4,5-Pentakis(methoxycarbonyl)cyclopenta-2,4-dien-1-yl]potassium","","COC(=O)[C-]1C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC.[K+]","WBSDCQCPRGIZKC-UHFFFAOYSA-N","494484",NA,"PDBC55547","625124","Present"
-"[1,2,3-Trichloro-2-phenyl-3-(trifluoromethyl)cyclopropyl]benzene","","","","","","","","","","","","","","","","","","","","[1,2,3-Trichloro-2-phenyl-3-(trifluoromethyl)cyclopropyl]benzene","","C1=CC=C(C=C1)C2(C(C2(C(F)(F)F)Cl)(C3=CC=CC=C3)Cl)Cl","JHECBPQLNLDWBJ-UHFFFAOYSA-N","357613",NA,"PDBC55548","617137","Present"
-"[1,2,4]Oxadiazolo[4,3-c]quinazolin-3-one","","","","","","","","","","","","","","","","","","","","[1,2,4]Oxadiazolo[4,3-c]quinazolin-3-one","","C1=CC=C2C(=C1)C3=NOC(=O)N3C=N2","IPISHVIJAOGTDA-UHFFFAOYSA-N","389760",NA,"PDBC55549","686355","Present"
-"[1,2,4]Triazino[4,3-a]benzimidazol-4(1H)-one","","","","","","","","","","","","","","","","","","","","[1,2,4]Triazino[4,3-a]benzimidazol-4(1H)-one","","C1=CC=C2C(=C1)N=C3N2C(=O)C=NN3","UTTCYYFYTSCSMS-UHFFFAOYSA-N","386677",NA,"PDBC55550","679204","Present"
-"[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-2-(4-morpholinyl)-7-oxo-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-morpholino-7-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate","","COC(=O)C1=CN=C2N=C(NN2C1=O)N3CCOCC3","XPGFRWFZUKREFV-UHFFFAOYSA-N","365157",NA,"PDBC55551","632294","Present"
-"[1,2,4]Triazolo[3,4-b][1,3,5]benzothiadiazepin-5(6H)-imine","","","","","","","","","","","","","","","","","","","","[1,2,4]Triazolo[3,4-b][1,3,5]benzothiadiazepin-5(6H)-imine","","C1=CC=C2C(=C1)N=C(N3C=NN=C3S2)N","CAOQZWGGOUPHNY-UHFFFAOYSA-N","383200",NA,"PDBC55552","671318","Present"
-"[1,2,5]Triazepino[3,4,5-jk]carbazole, 1,2,3,5,6,7-hexahydro-9-methoxy-","","","","","","","","","","","","","","","","","","","","[1,2,5]Triazepino[3,4,5-jk]carbazole, 1,2,3,5,6,7-hexahydro-9-methoxy-","","COC1=CC2=C(C=C1)N3CCNN=C4C3=C2CCC4","DNYDAJTZRILLJB-UHFFFAOYSA-N","367836",NA,"PDBC55553","637911","Present"
-"[1,2-Dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-3,4-dimethanol, 2-[1,1'-biphenyl]-4-yl-1,5-di...","","CC1=C(C(=C(N1C)C2=CC=C(C=C2)C3=CC=CC=C3)COC(=O)NC)COC(=O)NC","ZSOIFICKFJJSNP-UHFFFAOYSA-N","327239",NA,"PDBC55554","301480","Present"
-"[1,2]Benzodithiino[5,4,3-cde][1,2]benzodithiin, 1,3,6,8-tetramethoxy-","","","","","","","","","","","","","","","","","","","","1,3,6,8-Tetramethoxy-benzo[1,2]dithiino[5,4,3-c,d,e]benz...","","COC1=CC(=C2C3=C1SSC4=C3C(=C(C=C4OC)OC)SS2)OC","GAXPEBJJRKJTNF-UHFFFAOYSA-N","370122",NA,"PDBC55555","642714","Present"
-"[1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","[1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride","","C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=C(C=C(C4=C2)Cl)Cl)C(F)(F)F)O.Cl","LKEGCHADFJGXPA-UHFFFAOYSA-N","24198818",NA,"PDBC55556","305770","Present"
-"[1,3]Benzodioxolo[5,6-b][1,8]naphthyridin-10(5H)-one","","","","","","","","","","","","","","","","","","","","[1,3]Benzodioxolo[5,6-b][1,8]naphthyridin-10(5H)-one","","C1OC2=C(O1)C=C3C(=C2)C(=O)C4=C(N3)N=CC=C4","ATMCPQFDMIRXMA-UHFFFAOYSA-N","378712",NA,"PDBC55557","661817","Present"
-"[1,3]Benzothiazolo[5,4-b][1,8]naphthyridin-11(6H)-one","","","","","","","","","","","","","","","","","","","","[1,3]Benzothiazolo[5,4-b][1,8]naphthyridin-11(6H)-one","","C1=CC2=C(NC3=C(C2=O)C4=C(C=C3)SC=N4)N=C1","SQKLXLYWOZGOCD-UHFFFAOYSA-N","378713",NA,"PDBC55558","661818","Present"
-"[1,3]Benzoxathiepino[5,4-d]pyrimidine 5,5-dioxide","","","","","","","","","","","","","","","","","","","","[1,3]Benzoxathiepino[5,4-d]pyrimidine 5,5-dioxide","","C1OC2=CC=CC=C2C3=NC=NC=C3S1(=O)=O","FYUILLLHLJAQAF-UHFFFAOYSA-N","371337",NA,"PDBC55559","645468","Present"
-"[1,3]Benzoxazolo[2,3-b]quinazolin-12-imine;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC668348","","C1=CC=C2C(=C1)C(=N)N3C4=CC=CC=C4OC3=N2.Cl","PJKPTFCILDQEBT-UHFFFAOYSA-N","381558",NA,"PDBC55560","668348","Present"
-"[1,3]Dithiolo[4,5-f]pentathiepin-7-one","","","","","","","","","","","","","","","","","","","","[1,3]Dithiolo[4,5-f]pentathiepin-7-one","","C12=C(SC(=O)S1)SSSSS2","JLRCUCDYZVYOBF-UHFFFAOYSA-N","391275",NA,"PDBC55561","690229","Present"
-"[1,4-Dihydroxy-3-(methylsulfonyloxymethyl)-5,8-dioxonaphthalen-2-yl]methyl methanesulfonate","","","","","","","","","","","","","","","","","","","","[1,4-Dihydroxy-3-(methylsulfonyloxymethyl)-5,8-dioxonaphthalen-2-yl]methyl methanesulfonate","","CS(=O)(=O)OCC1=C(C(=C2C(=O)C=CC(=O)C2=C1O)O)COS(=O)(=O)C","ALYFPFDAEURRHN-UHFFFAOYSA-N","427774",NA,"PDBC55562","219889","Present"
-"[1,5-Bis(dimethylamino)pentan-3-ylideneamino] benzoate;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC632837","","CN(C)CCC(=NOC(=O)C1=CC=CC=C1)CCN(C)C.Cl","GQDIDXWINRXNMV-UHFFFAOYSA-N","365282",NA,"PDBC55563","632837","Present"
-"[1,5-Bis(ethylamino)-5-phosphono-pentyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[1,5-Bis(ethylamino)-5-phosphono-pentyl]phosphonic acid","","CCNC(CCCC(NCC)P(=O)(O)O)P(=O)(O)O","FZPZYOMNLOJCHX-UHFFFAOYSA-N","363913",NA,"PDBC55564","629302","Present"
-"[1,5-Bis[(2-aminoacetyl)amino]-5-phosphono-pentyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[1,5-Bis[(2-aminoacetyl)amino]-5-phosphono-pentyl]phosphonic acid","","C(CC(NC(=O)CN)P(=O)(O)O)CC(NC(=O)CN)P(=O)(O)O","HZLIYXKJDMAPBT-UHFFFAOYSA-N","363916",NA,"PDBC55565","629305","Present"
-"[1,5-Diamino-5-[hydroxy(phenyl)phosphoryl]pentyl]-phenyl-phosphinic acid","","","","","","","","","","","","","","","","","","","","[1,5-Diamino-5-[hydroxy(phenyl)phosphoryl]pentyl]-phenyl-phosphinic acid","","C1=CC=C(C=C1)P(=O)(C(CCCC(N)P(=O)(C2=CC=CC=C2)O)N)O","MORAYAMPBZMRCK-UHFFFAOYSA-N","375452",NA,"PDBC55566","655184","Present"
-"[1-(1-Diphenylphosphinothioylcyclopropyl)cyclopropyl]-diphenyl-thioxo-$l^{5}-phosphane","","","","","","","","","","","","","","","","","","","","[1-(1-Diphenylphosphinothioylcyclopropyl)cyclopropyl]-diphenyl-thioxo-$l^{5}-phosphane","","C1CC1(C2(CC2)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4)P(=S)(C5=CC=CC=C5)C6=CC=CC=C6","LXHRFLFVOCPECH-UHFFFAOYSA-N","364689",NA,"PDBC55567","631341","Present"
-"[1-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] N-(2,4-dichlorophenyl)carbamate","","","","","","","","","","","","","","","","","","","","[1-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] N-(2,4-dichlorophenyl)carbamate","","C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)OC(=O)NC3=C(C=C(C=C3)Cl)Cl","CTKKZQPFOCEYLC-UHFFFAOYSA-N","368989",NA,"PDBC55568","640490","Present"
-"[1-(2,6-Dichlorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazol-6-yl]-phenyl-methanone","","","","","","","","","","","","","","","","","","","","[1-(2,6-Dichlorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazol-6-yl]-phenyl-methanone","","C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=CC(=C3)C(=O)C5=CC=CC=C5","DYYHXKARBMDCQX-UHFFFAOYSA-N","395910",NA,"PDBC55569","701005","Present"
-"[1-(2-Chloroethyl)-2-methyl-4-oxopyridin-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[1-(2-Chloroethyl)-2-methyl-4-oxopyridin-3-yl] acetate","","CC1=C(C(=O)C=CN1CCCl)OC(=O)C","XAKZUSAZPSZZIA-UHFFFAOYSA-N","338075",NA,"PDBC55570","358873","Present"
-"[1-(2-Hydroxy-1-naphthyl)-2-naphthyl] 2-phenylpropanoate","","","","","","","","","","","","","","","","","","","","[1-(2-Hydroxy-1-naphthyl)-2-naphthyl] 2-phenylpropanoate","","CC(C1=CC=CC=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O","KSCUIWLQYJARAZ-UHFFFAOYSA-N","364599",NA,"PDBC55571","631127","Present"
-"[1-(2-Hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]imino-oxidoazanium","","","","","","","","","","","","","","","","","","","","1H-Pyrazole-1-ethanol, 4,4'-azoxybis(3,5-dimethyl-","","CC1=C(C(=NN1CCO)C)N=[N+](C2=C(N(N=C2C)CCO)C)[O-]","PJVSLEAQHXBIJR-UHFFFAOYSA-N","301772",NA,"PDBC55572","179945","Present"
-"[1-(2-Pyridinyl)ethylidene]hydrazinecarbodithioic acid, methyl ester","","","","","","","","","","","","","","","","","","","","[1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZINECARBODITHIOIC ACID, ...","","CC(=NNC(=S)SC)C1=CC=CC=N1","IFRMECQLFGLWCS-YRNVUSSQSA-N","5947235",NA,"PDBC55573","251190","Present"
-"[1-(3,4-Dimethoxyphenyl)-4,5-dimethoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanol","","","","","","","","","","","","","","","","","","","","NSC701562///NSC701563","","COC1=C(C=C(C=C1)C23C(C(CC4=CC(=C(C=C42)OC)OC)CO3)CO)OC","CIQMFHJWBNOVQL-UHFFFAOYSA-N","396063",NA,"PDBC55574","701562///701563","Present"
-"[1-(3,4-Dimethoxyphenyl)-4,5-dimethoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[1-(3,4-Dimethoxyphenyl)-4,5-dimethoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methyl acetate","","CC(=O)OCC1C2CC3=CC(=C(C=C3C1(OC2)C4=CC(=C(C=C4)OC)OC)OC)OC","GVZPMSFHNAIPPW-UHFFFAOYSA-N","396066",NA,"PDBC55575","701566","Present"
-"[1-(4,6-Dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] acetate","","","","","","","","","","","","","","","","","","","","[1-(4,6-Dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] acetate","","CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCN(CC3)C4=CC=CC=N4)OC(=O)C)C","PEJBOYJTKDNYMR-UHFFFAOYSA-N","401094",NA,"PDBC55576","713917","Present"
-"[1-(4-Bromophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-3,4-dimethanol, 1-(4-bromophenyl)-2,5-dimethy...","","CC1=C(C(=C(N1C2=CC=C(C=C2)Br)C)COC(=O)NC)COC(=O)NC","NOXVZSNBOAHZRU-UHFFFAOYSA-N","321870",NA,"PDBC55577","276362","Present"
-"[1-(4-Butylphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","1H-Pyrrole-3,4-dimethanol, 1-(4-butylphenyl)-2,5-dimethy...","","CCCCC1=CC=C(C=C1)N2C(=C(C(=C2C)COC(=O)NC)COC(=O)NC)C","OJPMBLRAELYHST-UHFFFAOYSA-N","321869",NA,"PDBC55578","276361","Present"
-"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone","","","","","","","","","","","","","","","","","","","","[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone","","CC1=CC(=NN1C(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl)C","NWTMCJPBPGKDQK-UHFFFAOYSA-N","46884875",NA,"PDBC55579","748378","Present"
-"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)methanone","","CC1=C2CCC3=CC=CC=C3C2=NN1C(=O)C4=NN(C=C4O)C5=CC=C(C=C5)Cl","DWTHWQFUKBSGGN-UHFFFAOYSA-N","46865789",NA,"PDBC55580","748383","Present"
-"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone","","","","","","","","","","","","","","","","","","","","[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone","","C1=CC=C(C=C1)C2=CC(=NN2C(=O)C3=NN(C=C3O)C4=CC=C(C=C4)Cl)C(F)(F)F","AGYQWFQUAYIERA-UHFFFAOYSA-N","54613586",NA,"PDBC55581","748379","Present"
-"[1-(4-Methoxyphenyl)-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[1-(4-Methoxyphenyl)-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate","","CNC(=O)OCC1=C(CN(C1)C2=CC=C(C=C2)OC)COC(=O)NC","OXHDYUBMCINMIS-UHFFFAOYSA-N","376893",NA,"PDBC55582","658079","Present"
-"[1-(4-Methoxyphenyl)-5-methyl-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[1-(4-Methoxyphenyl)-5-methyl-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate","","CC1C(=C(CN1C2=CC=C(C=C2)OC)COC(=O)NC)COC(=O)NC","XZRNPSMHVKZAHY-UHFFFAOYSA-N","376895",NA,"PDBC55583","658081","Present"
-"[1-(5-Amino-4-cyano-oxazol-2-yl)-2-hydroxy-ethyl]-benzyl-carbamic acid","","","","","","","","","","","","","","","","","","","","[1-(5-Amino-4-cyano-oxazol-2-yl)-2-hydroxy-ethyl]-benzyl-carbamic acid","","C1=CC=C(C=C1)CN(C(CO)C2=NC(=C(O2)N)C#N)C(=O)O","SZAYETSHPYTHGG-UHFFFAOYSA-N","390377",NA,"PDBC55584","687719","Present"
-"[1-(5-Hydroxy-7-methoxy-4-oxochromen-2-yl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-yl] acetate","","","","","","","","","","","","","","","","","","","","[1-(5-Hydroxy-7-methoxy-4-oxochromen-2-yl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-yl] acetate","","CC(=O)OC1(C=CC(C=C1)OC2C(C(C(C(O2)CO)O)O)O)C3=CC(=O)C4=C(C=C(C=C4O3)OC)O","CVEDYQSTVABSGP-UHFFFAOYSA-N","396468",NA,"PDBC55585","702645","Present"
-"[1-(7,8,9,10-Tetrahydrophenanthridin-6-yl)piperidin-4-yl]methanamine","","","","","","","","","","","","","","","","","","","","[1-(7,8,9,10-Tetrahydrophenanthridin-6-yl)-4-piperidyl]methanamine","","C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCC(CC4)CN","UUAKCBNXSFFFOQ-UHFFFAOYSA-N","399484",NA,"PDBC55586","710334","Present"
-"[1-(Benzenesulfonyl)indol-2-yl]-phenyl-methanol","","","","","","","","","","","","","","","","","","","","[1-(Benzenesulfonyl)indol-2-yl]-phenyl-methanol","","C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O","FNSGKSWTHDNXBI-UHFFFAOYSA-N","392288",NA,"PDBC55587","692422","Present"
-"[1-(Benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol","","","","","","","","","","","","","","","","","","","","[1-(Benzenesulfonyl)indol-2-yl]-(4-pyridyl)methanol","","C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(C4=CC=NC=C4)O","LUTVVMQFMOVHFI-UHFFFAOYSA-N","398272",NA,"PDBC55588","707986","Present"
-"[1-(Benzenesulfonyl)indol-3-yl]methyl-triethylazanium;bromide","","","","","","","","","","","","","","","","","","","","[1-(Benzenesulfonyl)indol-3-yl]methyl-triethylazanium;bromide","","CC[N+](CC)(CC)CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3.[Br-]","ROPOGDAKUKCERP-UHFFFAOYSA-M","374855",NA,"PDBC55589","653279","Present"
-"[1-(Benzenesulfonyl)indol-3-yl]methyl-triphenylphosphanium;bromide","","","","","","","","","","","","","","","","","","","","Triphenyl{[1-(phenylsulfonyl)-1h-indol-3-yl]methyl}phosphonium bromide","","C1=CC=C(C=C1)[P+](CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","ZOVAYVBIPZYHBN-UHFFFAOYSA-M","374836",NA,"PDBC55590","653263","Present"
-"[1-(Benzenesulfonyloxy)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate","","","","","","","","","","","","","","","","","","","","[1-(benzenesulfonyloxy)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate","","CC1=C2CCC3C(C2=C(C=C1)OS(=O)(=O)C4=CC=CC=C4)CCC5(C3CCC5OC(=O)C)C","UJPIXJNFAQABFH-UHFFFAOYSA-N","386755",NA,"PDBC55591","679434","Present"
-"[1-(Benzhydrylamino)-3-methylsulfanylpropyl]-hydroxy-oxophosphanium","","","","","","","","","","","","","","","","","","","","NSC669684","","CSCCC(NC(C1=CC=CC=C1)C2=CC=CC=C2)[P+](=O)O","NQNRNLPXMBAEGX-UHFFFAOYSA-O","6331333",NA,"PDBC55592","669684","Present"
-"[1-(Carbamoyloxymethyl)-2-(4-chlorophenoxy)ethyl] 3,5-dinitrobenzoate","","","","","","","","","","","","","","","","","","","","[1-(Carbamoyloxymethyl)-2-(4-chlorophenoxy)ethyl] 3,5-dinitrobenzoate","","C1=CC(=CC=C1OCC(COC(=O)N)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl","PRZKFAPINLZRBT-UHFFFAOYSA-N","367007",NA,"PDBC55593","636334","Present"
-"[1-(Chloromethyl)-5-(dimethylamino)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[1-(Chloromethyl)-5-(dimethylamino)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","CN(C)C1=CC2=C(C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl)C5=CC=CC=C51","JYLCAMDFFFVDAY-UHFFFAOYSA-N","391697",NA,"PDBC55594","691242","Present"
-"[1-(Chloromethyl)-5-(methylamino)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","1H-Benz[e]indol-5-amine, 1-(chloromethyl)-2,3-dihydro-N-...","","CNC1=CC2=C(C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl)C5=CC=CC=C51","DRTNXALIYSNZIV-UHFFFAOYSA-N","392743",NA,"PDBC55595","693546","Present"
-"[1-(Chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[1-(Chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)O)CCl)OC)OC","NRHDGIYFJJUFKN-UHFFFAOYSA-N","394558",NA,"PDBC55596","698103","Present"
-"[1-(Chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[1-(Chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])CCl)OC)OC","HVXXVNCXGUXSCQ-UHFFFAOYSA-N","391699",NA,"PDBC55597","691244","Present"
-"[1-(Tert-Butyloxycarbonyl)-2-chloro-1H-indole-3-ylcarbonyl] isothiocyanate","","","","","","","","","","","","","","","","","","","","Tert-butyl 2-chloro-3-(isothiocyanatocarbonyl)-1h-indole-1-carboxylate","","CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C(=O)N=C=S","KVJUPBLXWQHXCI-UHFFFAOYSA-N","405273",NA,"PDBC55598","722426","Present"
-"[1-(Tert-butylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanyl-1-oxopropan-2-yl] (2S)-3-(tert-butyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate","","","","","","","","","","","","","","","","","","","","[1-(Tert-butylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanyl-1-oxopropan-2-yl] (2S)-3-(tert-butyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate","","CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NC(C)(C)C)OC(=O)C(CSSC(C)(C)C)NC(=O)OC(C)(C)C","APYDHYPYYCTZEQ-VQCQRNETSA-N","54612863",NA,"PDBC55599","748899","Present"
-"[1-(Tert-butylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanyl-1-oxopropan-2-yl] 3-phenylselanylpropanoate","","","","","","","","","","","","","","","","","","","","[1-(Tert-butylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanyl-1-oxopropan-2-yl] 3-phenylselanylpropanoate","","CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NC(C)(C)C)OC(=O)CC[Se]C3=CC=CC=C3","LGOZPAXNUDGRBN-UHFFFAOYSA-N","54613747",NA,"PDBC55600","748882","Present"
-"[1-Amino-2-(1H-indol-3-yl)ethyl]-methoxyphosphinic acid","","","","","","","","","","","","","","","","","","","","Phosphonic acid, [1-amino-2-(3-indolyl)ethyl]-, methyl e...","","COP(=O)(C(CC1=CNC2=CC=CC=C21)N)O","UIXPRYNNEGLCHX-UHFFFAOYSA-N","382176",NA,"PDBC55601","669635","Present"
-"[1-Amino-2-(1H-indol-3-yl)ethyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","Phosphonic acid, [1-amino-2-(1H-indol-3-yl)ethyl]- (9CI)","","C1=CC=C2C(=C1)C(=CN2)CC(N)P(=O)(O)O","ZUEMQUDNGYLGGA-UHFFFAOYSA-N","382136",NA,"PDBC55602","669581","Present"
-"[1-Amino-2-(3,4-dihydroxyphenyl)ethyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[1-Amino-2-(3,4-dihydroxyphenyl)ethyl]phosphonic acid","","C1=CC(=C(C=C1CC(N)P(=O)(O)O)O)O","IKXXVDZMRIWEMJ-UHFFFAOYSA-N","382133",NA,"PDBC55603","669579","Present"
-"[1-Amino-2-(4-chloro-5-methyl-2-mercaptobenzenesulfonyl)guanidino]acetic hydrazide","","","","","","","","","","","","","","","","","","","","[1-Amino-2-(4-chloro-5-methyl-2-mercaptobenzenesulfonyl)guanidino]acetic hydrazide","","CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NCC(=O)NN)NN","XFGVBGKFYKDGTG-UHFFFAOYSA-N","378506",NA,"PDBC55604","661106","Present"
-"[1-Amino-3-(methylsulfonimidoyl)propyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[1-Amino-3-(methylsulfonimidoyl)propyl]phosphonic acid","","CS(=N)(=O)CCC(N)P(=O)(O)O","MGPJMISAPIOFNA-UHFFFAOYSA-N","338117",NA,"PDBC55605","359098","Present"
-"[1-Benzoyl-2-(2-hydroxy-2-phenylethyl)indol-3-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[2-(2-Hydroxy-2-phenylethyl)-1H-indole-1,3-diyl]bis(phenylmethanone)","","C1=CC=C(C=C1)C(CC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)O","FLVOVPQHZOKXSZ-UHFFFAOYSA-N","374845",NA,"PDBC55606","653271","Present"
-"[1-Benzoyl-2-(2-hydroxy-2-pyridin-2-ylethyl)indol-3-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[1-Benzoyl-2-(2-hydroxy-2-pyridin-2-ylethyl)indol-3-yl]-phenylmethanone","","C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)C(=O)C4=CC=CC=C4)CC(C5=CC=CC=N5)O","JTWDDFZOTHKNSI-UHFFFAOYSA-N","374846",NA,"PDBC55607","653272","Present"
-"[1-Benzoyl-2-(2-hydroxy-2-pyridin-3-ylethyl)indol-3-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[1-Benzoyl-2-(2-hydroxy-2-pyridin-3-ylethyl)indol-3-yl]-phenylmethanone","","C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)C(=O)C4=CC=CC=C4)CC(C5=CN=CC=C5)O","BMAMBNTZRPGRTE-UHFFFAOYSA-N","374847",NA,"PDBC55608","653273","Present"
-"[1-Benzoyl-2-(2-hydroxy-2-pyridin-4-ylethyl)indol-3-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[1-Benzoyl-2-(2-hydroxy-2-pyridin-4-ylethyl)indol-3-yl]-phenylmethanone","","C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)C(=O)C4=CC=CC=C4)CC(C5=CC=NC=C5)O","DMXAGYMQJXLOAU-UHFFFAOYSA-N","374848",NA,"PDBC55609","653274","Present"
-"[1-Benzoyl-2-[(benzylamino)methyl]indol-3-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","{2-[(Benzylamino)methyl]-1H-indole-1,3-diyl}bis(phenylmethanone)","","C1=CC=C(C=C1)CNCC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","CKXHBOOZRVVPKN-UHFFFAOYSA-N","374841",NA,"PDBC55610","653267","Present"
-"[1-Benzoyl-3-[[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]methyl]piperidin-4-yl] acetate","","","","","","","","","","","","","","","","","","","","[1-Benzoyl-3-[[2-(1h-indol-2-yl)-1,3-dioxolan-2-yl]methyl]-4-piperidyl] acetate","","CC(=O)OC1CCN(CC1CC2(OCCO2)C3=CC4=CC=CC=C4N3)C(=O)C5=CC=CC=C5","ROTFTJCCHAVTKC-UHFFFAOYSA-N","392270",NA,"PDBC55611","692410","Present"
-"[1-Ethyl-4-hydroxy-1-methyl-4-(4-methylphenyl)piperidin-1-ium-3-yl]-(4-methylphenyl)methanone;bromide","","","","","","","","","","","","","","","","","","","","1-Ethyl-4-hydroxy-1-methyl-3-(4-methylbenzoyl)-4-(4-methylphenyl)piperidinium bromide","","CC[N+]1(CCC(C(C1)C(=O)C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)O)C.[Br-]","LSVJLIASCXLDND-UHFFFAOYSA-M","377757",NA,"PDBC55612","659348","Present"
-"[1-Ethyl-4-hydroxy-4-(4-methoxyphenyl)-1-methylpiperidin-1-ium-3-yl]-(4-methoxyphenyl)methanone;bromide","","","","","","","","","","","","","","","","","","","","Piperidinium, 1-ethyl-4-hydroxy-4-(4-methoxyphenyl)- 3-[...","","CC[N+]1(CCC(C(C1)C(=O)C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)O)C.[Br-]","OFPDKHQLIRZXJE-UHFFFAOYSA-M","370033",NA,"PDBC55613","642597","Present"
-"[1-Hydroxy-1-[hydroxy-(2-hydroxy-3-morpholino-propoxy)phosphoryl]ethyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[1-Hydroxy-1-[hydroxy-(2-hydroxy-3-morpholino-propoxy)phosphoryl]ethyl]phosphonic acid","","CC(O)(P(=O)(O)O)P(=O)(O)OCC(CN1CCOCC1)O","PBTUUOMHVRSRTO-UHFFFAOYSA-N","394266",NA,"PDBC55614","697589","Present"
-"[1-Hydroxy-3-[(2Z)-4-methyl-2-phenylimino-thiazol-3-yl]-1-phosphono-propyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[1-Hydroxy-3-[(2Z)-4-methyl-2-phenylimino-thiazol-3-yl]-1-phosphono-propyl]phosphonic acid","","CC1=CSC(=NC2=CC=CC=C2)N1CCC(O)(P(=O)(O)O)P(=O)(O)O","UQLBMLXJUQDLEE-UHFFFAOYSA-N","394245",NA,"PDBC55615","697574","Present"
-"[1-Methoxy-2-[[[(2-methoxy-2-phenylethoxy)-dimethylsilyl]amino]-dimethylsilyl]oxyethyl]benzene","","","","","","","","","","","","","","","","","","","","[1-Methoxy-2-[[[(2-methoxy-2-phenyl-ethoxy)-dimethyl-silyl]amino]-dimethyl-silyl]oxy-ethyl]benzene","","COC(CO[Si](C)(C)N[Si](C)(C)OCC(C1=CC=CC=C1)OC)C2=CC=CC=C2","BBXJSIZHVSRIQN-UHFFFAOYSA-N","395863",NA,"PDBC55616","700865","Present"
-"[1-Methyl-2-(propan-2-ylcarbamoyloxymethyl)-4,5-dihydrobenzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate","","","","","","","","","","","","","","","","","","","","(1-Methyl-4,5-dihydro-1H-benzo[g]indole-2,3-diyl)dimethanediyl bis(propan-2-ylcarbamate)","","CC(C)NC(=O)OCC1=C(N(C2=C1CCC3=CC=CC=C32)C)COC(=O)NC(C)C","UVEOGQFCIJJVTL-UHFFFAOYSA-N","362966",NA,"PDBC55617","627457","Present"
-"[1-Methyl-2-[[1-methyl-4,5-bis(methylcarbamoyloxymethyl)imidazol-2-yl]disulfanyl]-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[1-Methyl-2-[[1-methyl-4,5-bis(methylcarbamoyloxymethyl)imidazol-2-yl]disulfanyl]-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate","","CNC(=O)OCC1=C(N(C(=N1)SSC2=NC(=C(N2C)COC(=O)NC)COC(=O)NC)C)COC(=O)NC","VNDVENSECNSMGR-UHFFFAOYSA-N","361116",NA,"PDBC55618","623926","Present"
-"[1-Methyl-4-[1-methyl-4-(3-methoxysulfonyl)propanamido]pyrole-2-carboxamido]propane","","","","","","","","","","","","","","","","","","","","[1-Methyl-4-[1-methyl-4-(3-methoxysulfonyl)propanamido]p...","","CCCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CCS(=O)(=O)OC","FNOTXVZCRJUJHO-UHFFFAOYSA-N","395869",NA,"PDBC55619","700906","Present"
-"[1-Methyl-5-(5-selenophen-2-ylselenophen-2-yl)pyrrol-2-yl]methanol","","","","","","","","","","","","","","","","","","","","[1-Methyl-5-(5-selenophen-2-ylselenophen-2-yl)pyrrol-2-yl]methanol","","CN1C(=CC=C1C2=CC=C([Se]2)C3=CC=C[Se]3)CO","LGRXVHQRGONTAX-UHFFFAOYSA-N","399994",NA,"PDBC55620","711173","Present"
-"[1-Methyl-5-(methylcarbamoyloxymethyl)-2-(oxan-2-ylsulfanyl)imidazol-4-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[1-Methyl-5-(methylcarbamoyloxymethyl)-2-(oxan-2-ylsulfanyl)imidazol-4-yl]methyl N-methylcarbamate","","CNC(=O)OCC1=C(N(C(=N1)SC2CCCCO2)C)COC(=O)NC","PQKMQJDWCHBYHJ-UHFFFAOYSA-N","361114",NA,"PDBC55621","623924","Present"
-"[1-Methyl-5-(methylcarbamoyloxymethyl)-2-propan-2-ylsulfanylimidazol-4-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[1-Methyl-2-(propan-2-ylsulfanyl)-1H-imidazole-4,5-diyl]dimethanediyl bis(methylcarbamate)","","CC(C)SC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC","ZGIWZCNUWYHETD-UHFFFAOYSA-N","361108",NA,"PDBC55622","623917","Present"
-"[1-Methyl-5-(methylcarbamoyloxymethyl)-2-propylsulfanyl-imidazol-4-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[1-Methyl-5-(methylcarbamoyloxymethyl)-2-propylsulfanyl-imidazol-4-yl]methyl N-methylcarbamate","","CCCSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC","YAJUJGFVTIUXID-UHFFFAOYSA-N","355284",NA,"PDBC55623","623922","Present"
-"[1-Tert-butoxycarbonyl-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)-2-hydroxy-ethyl]actinium","","","","","","","","","","","","","","","","","","","","[1-Tert-butoxycarbonyl-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)-2-hydroxy-ethyl]actinium","","CCOC(=O)C1=CC=C(N1)C([CH-]C(=O)OC(C)(C)C)O.[Ac]","QNPOLOHQGCQNIN-UHFFFAOYSA-N","393281",NA,"PDBC55624","694947","Present"
-"[1-[(1,3-Dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[1-[(1,3-Dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate","","C1CCN(C1)CC(CNC2=CC(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5","UZFLHKCBIXEKQY-UHFFFAOYSA-N","11671069",NA,"PDBC55625","735031","Present"
-"[1-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[1-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate","","CN1C(=CC(=O)N(C1=O)C)NCC(CN2CCCC2)OC(=O)C3=CC=CC=C3","RLLNXIBFPJIJPW-UHFFFAOYSA-N","11639615",NA,"PDBC55626","735033","Present"
-"[1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]-cyclobutylmethanone","","","","","","","","","","","","","","","","","","","","[1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]-cyclobutylmethanone","","COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)C4CCC4)CC5(CC3)OCCO5)O","YFEYKEOWPPPBJW-UHFFFAOYSA-N","401792",NA,"PDBC55627","715522","Present"
-"[1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidin-4-yl]methanol","","","","","","","","","","","","","","","","","","","","[1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidin-4-yl]methanol","","COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCC(CC5)CO)OCO4","GFBRRLPJNPKOEJ-UHFFFAOYSA-N","16657823",NA,"PDBC55628","736597","Present"
-"[1-[(3-Carbamoyl-1,2,4-triazol-1-yl)methyl]cyclobutyl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[1-[(3-Carbamoyl-1,2,4-triazol-1-yl)methyl]cyclobutyl]methyl benzoate","","C1CC(C1)(CN2C=NC(=N2)C(=O)N)COC(=O)C3=CC=CC=C3","ZZVIHXSKOLGVFC-UHFFFAOYSA-N","385285",NA,"PDBC55629","676396","Present"
-"[1-[(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-methylbutyl] acetate","","","","","","","","","","","","","","","","","","","","[1-[(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-methylbutyl] acetate","","CC(C)CC(OC(=O)C)P1(=O)N(C2CCCCC2N1CC(C)(C)C)CC(C)(C)C","VULKYWQCSNPKOZ-OSBQEZSISA-N","397396",NA,"PDBC55630","705137","Present"
-"[1-[(4-Methoxyphenyl)methyl]-2-oxo-5H-indeno[1,2-b]pyridin-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[1-[(4-Methoxyphenyl)methyl]-2-oxo-5h-indeno[2,3-e]pyridin-3-yl] acetate","","CC(=O)OC1=CC2=C(C3=CC=CC=C3C2)N(C1=O)CC4=CC=C(C=C4)OC","MURDMMHETDQDEU-UHFFFAOYSA-N","397443",NA,"PDBC55631","705301","Present"
-"[1-[(4-Methoxyphenyl)methyl]-2-oxo-5H-indeno[1,2-b]pyridin-3-yl] trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","[1-[(4-Methoxyphenyl)methyl]-2-oxo-5h-indeno[2,3-e]pyridin-3-yl] trifluoromethanesulfonate","","COC1=CC=C(C=C1)CN2C3=C(CC4=CC=CC=C43)C=C(C2=O)OS(=O)(=O)C(F)(F)F","HHDCRHGFWHOCQJ-UHFFFAOYSA-N","397447",NA,"PDBC55632","705305","Present"
-"[1-[(4-Methoxyphenyl)methyl]-4-methyl-2-oxobenzo[g]quinolin-3-yl] trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","[1-[(4-Methoxyphenyl)methyl]-4-methyl-2-oxo-benzo[g]quinolin-3-yl] trifluoromethanesulfonate","","CC1=C(C(=O)N(C2=CC3=CC=CC=C3C=C12)CC4=CC=C(C=C4)OC)OS(=O)(=O)C(F)(F)F","JOCHBIQGYBNHRJ-UHFFFAOYSA-N","397438",NA,"PDBC55633","705296","Present"
-"[1-[(4E,8E)-11-(Furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol","","","","","","","","","","","","","","","","","","","","(1-(11-(furan-3-yl)-4,8-dimethylundeca-4,8-dien-1-yl)pip...","","CC(=CCCC(=CCCC1=COC=C1)C)CCCN2CCC(CC2)CO","JKGUXGSWVLFJNV-LHEDLMNPSA-N","155814643",NA,"PDBC55634","773157","Present"
-"[1-[(4E,8E)-4,8-Dimethyl-11-thiophen-3-ylundeca-4,8-dienyl]piperidin-4-yl]methanol","","","","","","","","","","","","","","","","","","","","(1-(4,8-dimethyl-11-(thiophen-3-yl)undeca-4,8-dien-1-yl)...","","CC(=CCCC(=CCCC1=CSC=C1)C)CCCN2CCC(CC2)CO","XLRHRWIJFWNUQA-LHEDLMNPSA-N","155816175",NA,"PDBC55635","773159","Present"
-"[1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-morpholin-4-ylpropan-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-morpholin-4-ylpropan-2-yl] benzoate","","C1COCCN1CC(CNC2=C(C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","DCGGCNCPFHXORN-UHFFFAOYSA-N","11657573",NA,"PDBC55636","735541","Present"
-"[1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","[1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-yl] benzoate","","C1CCN(CC1)CC(CNC2=C(C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","KWUOMTIDFCDTKL-UHFFFAOYSA-N","11679095",NA,"PDBC55637","735542","Present"
-"[1-[(E)-(5-Nitrofuran-2-yl)methylideneamino]benzimidazol-2-yl]methanol","","","","","","","","","","","","","","","","","","","","[1-[(E)-(5-Nitrofuran-2-yl)methylideneamino]benzimidazol-2-yl]methanol","","C1=CC=C2C(=C1)N=C(N2N=CC3=CC=C(O3)[N+](=O)[O-])CO","AGVXQVLNGAJRIL-VGOFMYFVSA-N","9572565",NA,"PDBC55638","720255","Present"
-"[1-[(E)-(6-Nitro-1,3-benzodioxol-5-yl)methylideneamino]benzimidazol-2-yl]methanol","","","","","","","","","","","","","","","","","","","","[1-[(E)-(6-Nitro-1,3-benzodioxol-5-yl)methylideneamino]benzimidazol-2-yl]methanol","","C1OC2=C(O1)C=C(C(=C2)C=NN3C4=CC=CC=C4N=C3CO)[N+](=O)[O-]","OEVQTGRFXSTUPZ-REZTVBANSA-N","9572564",NA,"PDBC55639","720254","Present"
-"[1-[1-(3-Hydroxyphenyl)cyclohexyl]piperidin-4-yl] methanesulfonate","","","","","","","","","","","","","","","","","","","","[1-[1-(3-Hydroxyphenyl)cyclohexyl]-4-piperidyl] methanesulfonate","","CS(=O)(=O)OC1CCN(CC1)C2(CCCCC2)C3=CC(=CC=C3)O","QFDXGUYWRBZUJX-UHFFFAOYSA-N","398424",NA,"PDBC55640","708127","Present"
-"[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxydecanoate","","","","","","","","","","","","","","","","","","","","[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan","","CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)O)OC(=O)C)O","BKAINXCRNSSKJW-UHFFFAOYSA-N","376250",NA,"PDBC55641","656956","Present"
-"[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxydecanoate","","","","","","","","","","","","","","","","","","","","[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan","","CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)OC(=O)C)O)O)O","NQJIGYHJVHFPKP-UHFFFAOYSA-N","376249",NA,"PDBC55642","656955","Present"
-"[1-[2-(Benzyloxycarbonylamino)acetyl]pyrrolidine-2-carbonyl] 1-[2-(benzyloxycarbonylamino)acetyl]pyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","[1-[2-(Phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl] 1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate","","C1CC(N(C1)C(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)OC(=O)C3CCCN3C(=O)CNC(=O)OCC4=CC=CC=C4","ZAAKDEKQXMLTLS-UHFFFAOYSA-N","382255",NA,"PDBC55643","669710","Present"
-"[1-[2-(Trifluoromethylsulfonyloxy)dibenzofuran-1-yl]dibenzofuran-2-yl] trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","[1-[2-(Trifluoromethylsulfonyloxy)dibenzofuran-1-yl]dibenzofuran-2-yl] trifluoromethanesulfonate","","C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3C4=C(C=CC5=C4C6=CC=CC=C6O5)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F","ZCNHNIMMBHGZHK-UHFFFAOYSA-N","396462",NA,"PDBC55644","702436","Present"
-"[1-[3,4-Bis(ethoxycarbonyloxy)phenyl]-2-(propan-2-ylamino)ethyl] ethyl carbonate","","","","","","","","","","","","","","","","","","","","[1-[3,4-Bis(ethoxycarbonyloxy)phenyl]-2-(propan-2-ylamino)ethyl] ethyl carbonate","","CCOC(=O)OC1=C(C=C(C=C1)C(CNC(C)C)OC(=O)OCC)OC(=O)OCC","MKFWHCDCVRHFGH-UHFFFAOYSA-N","381715",NA,"PDBC55645","668575","Present"
-"[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol;hydrochloride","","","","","","","","","","","","","","","","","","","","[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol;hydrochloride","","C1CC(CC1CCC2=CC=CC=C2)(CNC3=C(C(=NC(=N3)N)Cl)N)CO.Cl","MSEBZHFUSBPXHI-UHFFFAOYSA-N","399380",NA,"PDBC55646","710100","Present"
-"[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol;hydrochloride","","","","","","","","","","","","","","","","","","","","[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol;hydrochloride","","C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)CCCCC3=CC=CC=C3.Cl","SXTSCGFQRLAXKG-UHFFFAOYSA-N","393614",NA,"PDBC55647","695805","Present"
-"[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-phenylmethoxycyclobutyl]methanol","","","","","","","","","","","","","","","","","","","","(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol","","C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)OCC3=CC=CC=C3","GLTYIOHVCFVXNA-UHFFFAOYSA-N","385247",NA,"PDBC55648","676360","Present"
-"[1-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol","","","","","","","","","","","","","","","","","","","","[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclopentyl]methanol","","C1CC(CC1CCC2=CC=CC=C2)(CNC3=CC(=NC(=N3)N)Cl)CO","GTKRXPJZARRCLS-UHFFFAOYSA-N","399378",NA,"PDBC55649","710098","Present"
-"[1-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol","","","","","","","","","","","","","","","","","","","","[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol","","C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CCCCC3=CC=CC=C3","ZWBCGNQLJXYUEO-UHFFFAOYSA-N","393613",NA,"PDBC55650","695804","Present"
-"[1-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]-3-benzylcyclopentyl]methanol","","","","","","","","","","","","","","","","","","","","[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-benzyl-cyclopentyl]methanol","","C1CC(CC1CC2=CC=CC=C2)(CNC3=CC(=NC(=N3)N)Cl)CO","XCISOXLYQYWPBE-UHFFFAOYSA-N","399382",NA,"PDBC55651","710101","Present"
-"[1-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]-3-phenylmethoxycyclobutyl]methanol","","","","","","","","","","","","","","","","","","","","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol","","C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)OCC3=CC=CC=C3","KKVGFCKNSJPYNG-UHFFFAOYSA-N","385227",NA,"PDBC55652","676340","Present"
-"[1-[[(3-Nitro-2-pyridyl)amino]methyl]cyclopentyl]methanol","","","","","","","","","","","","","","","","","","","","[1-[[(3-Nitro-2-pyridyl)amino]methyl]cyclopentyl]methanol","","C1CCC(C1)(CNC2=C(C=CC=N2)[N+](=O)[O-])CO","FPZJUBSERKQFLU-UHFFFAOYSA-N","385302",NA,"PDBC55653","676414","Present"
-"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate","","","","","","","","","","","","","","","","","","","","[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate","","CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N3CCCC3","IJFKIXCNVIJTIE-UHFFFAOYSA-N","399295",NA,"PDBC55654","709984","Present"
-"[1-[[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] hexadecanoate","","","","","","","","","","","","","","","","","","","","[1-[[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] hexadecanoate","","CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)CC)O)OC(=O)CCCCCCCCCCCCCCC","KSZAYYVYELIROL-UHFFFAOYSA-N","390206",NA,"PDBC55655","687363","Present"
-"[1-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-[hydroxy-[4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]oxyphosphoryl]oxypropan-2-yl] hexadecanoate","","","","","","","","","","","","","","","","","","","","[1-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-[hydroxy-[4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-y","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)OP(=O)(O)OCC(COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=NC4=O)NCCCCCCCCCCCCCCCCCC)F)O)OC(=O)CCCCCCCCCCCCCCC)O","LXFIWLBIILJTPN-UHFFFAOYSA-N","394838",NA,"PDBC55656","698690","Present"
-"[1-[[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol","","","","","","","","","","","","","","","","","","","","[1-[[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol","","C1CC(CC1CCC2=CC=CC=C2)(CNC3=C(C(=NC(=N3)N)Cl)N=NC4=CC=C(C=C4)Cl)CO","FGBCMWFHUAMCNL-UHFFFAOYSA-N","399379",NA,"PDBC55657","710099","Present"
-"[1-[[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]-3-phenylmethoxycyclobutyl]methanol","","","","","","","","","","","","","","","","","","","","Cyclobutanemethanol, 1-[[(2-amino-4-chloro-5-[(4-chlorop...///NSC684909///NSC684910","","C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N=NC3=CC=C(C=C3)Cl)CO)OCC4=CC=CC=C4","DDTJXELLKSUNLX-UHFFFAOYSA-N","385284",NA,"PDBC55658","676395///684909///684910","Present"
-"[10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate","","CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CC=C4C5(OCCO5)C)C)C","RKDVZUVKDIUZHM-UHFFFAOYSA-N","344419",NA,"PDBC55659","401312","Present"
-"[10-Cyanoimino-2-(hydroxymethyl)anthracen-9-ylidene]cyanamide","","","","","","","","","","","","","","","","","","","","[10-Cyanoimino-2-(hydroxymethyl)anthracen-9-ylidene]cyanamide","","C1=CC=C2C(=C1)C(=NC#N)C3=C(C2=NC#N)C=C(C=C3)CO","RZGXRBTVXSWCLE-UHFFFAOYSA-N","400757",NA,"PDBC55660","713188","Present"
-"[10-Hydroxy-4-[9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-imino-purin-1-yl]-1,2,3,4-tetrahydroanthracen-9-yl] acetate","","","","","","","","","","","","","","","","","","","","[10-Hydroxy-4-[9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iminopurin-1-yl]-1,2,3,4-tetrahydroanthracen-9-yl] acetate","","CC(=O)OC1=C2CCCC(C2=C(C3=CC=CC=C31)O)N4C=NC5=C(C4=N)N=CN5C6C7C(C(O6)CO)OC(O7)(C)C","KHYITYJFSHBBLR-UHFFFAOYSA-N","371299",NA,"PDBC55661","645374","Present"
-"[10-[(2-Amino-3-phenylpropanoyl)oxymethyl]-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]methyl 2-amino-3-phenylpropanoate;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","[10-[(2-Amino-3-phenylpropanoyl)oxymethyl]-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]methyl 2-amino-3-phenylpropanoate;2,2,2-trifluoroacetic acid","","C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)COC(=O)C(CC6=CC=CC=C6)N)N.C(=O)(C(F)(F)F)O","VLEAFKGSSDRUJK-UHFFFAOYSA-N","435891",NA,"PDBC55662","378475","Present"
-"[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] acetate","","","","","","","","","","","","","","","","","","","","[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] acetate","","CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)C","UBYGDKSAOVCBIG-UHFFFAOYSA-N","439026",NA,"PDBC55663","699152","Present"
-"[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate","","","","","","","","","","","","","","","","","","","","[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate","","CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)OCC","ZISQCARNIVGPNG-UHFFFAOYSA-N","439022",NA,"PDBC55664","699148","Present"
-"[10-[3-(Diethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate","","","","","","","","","","","","","","","","","","","","[10-[3-(Diethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate","","CCN(CC)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)OCC","FPCMHWRXGBEQPP-UHFFFAOYSA-N","439021",NA,"PDBC55665","699147","Present"
-"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 4-nitrobenzoate","","","","","","","","","","","","","","","","","","","","[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 4-nitrobenzoate","","CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]","ZFHXKKGPURFZHT-UHFFFAOYSA-N","439024",NA,"PDBC55666","699150","Present"
-"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] benzoate","","","","","","","","","","","","","","","","","","","","[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] benzoate","","CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)C5=CC=CC=C5","RXAWNUPZPIHOOX-UHFFFAOYSA-N","439025",NA,"PDBC55667","699151","Present"
-"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] propanoate","","","","","","","","","","","","","","","","","","","","[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] propanoate","","CCC(=O)OC1=CC2=C(C=C1)N3C4=C(C=CC(=C4C2=O)NCCCN(C)C)N=N3","GANQTUGRZMHJPD-UHFFFAOYSA-N","439023",NA,"PDBC55668","699149","Present"
-"[16,18-Dioxo-17-(propan-2-ylideneamino)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate","","","","","","","","","","","","","","","","","","","","[16,18-Dioxo-17-(propan-2-ylideneamino)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate","","CC(=NN1C(=O)C2C3C4=CC=CC=C4C(C2C1=O)(C5=CC=CC=C35)OC(=O)C)C","IZWDECYHTPOGKZ-UHFFFAOYSA-N","379881",NA,"PDBC55669","665073","Present"
-"[17-(2-Hydroxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate","","","","","","","","","","","","","","","","","","","","[17-(2-Hydroxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate","","CC(=O)OC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=C6O","HRTYZVGCRUWRMX-UHFFFAOYSA-N","379879",NA,"PDBC55670","665071","Present"
-"[17-(2-Methoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate","","","","","","","","","","","","","","","","","","","","[17-(2-Methoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate","","CC(=O)OC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=C6OC","WGLJYSRWLJTYLN-UHFFFAOYSA-N","379878",NA,"PDBC55671","665070","Present"
-"[1]Benzofuro[3,2-c]quinolin-6-ol","","","","","","","","","","","","","","","","","","","","[1]Benzofuro[3,2-c]quinolin-6-ol","","C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4O3)C(=O)N2","WFRXPWMZAMUTCE-UHFFFAOYSA-N","376990",NA,"PDBC55672","658211","Present"
-"[1]Benzofuro[3,2-e][2,1,3]benzothiadiazole","","","","","","","","","","","","","","","","","","","","[1]Benzofuro[3,2-e][2,1,3]benzothiadiazole","","C1=CC=C2C(=C1)C3=C(O2)C=CC4=NSN=C43","HVAOYRJPFNGSDQ-UHFFFAOYSA-N","372119",NA,"PDBC55673","647064","Present"
-"[1]Benzofuro[3,2-f]phthalazine-1,4-diol","","","","","","","","","","","","","","","","","","","","[1]Benzofuro[3,2-f]phthalazine-1,4-diol","","C1=CC=C2C(=C1)C3=C(O2)C=CC4=C3C(=O)NNC4=O","CXMJWBVJYWZTDU-UHFFFAOYSA-N","376279",NA,"PDBC55674","656993","Present"
-"[1]Benzothieno[2, 2-(azidomethyl)-5,6,7,8-tetrahydro-, monohydrochloride","","","","","","","","","","","","","","","","","","","","[1]Benzothieno[2,3-d]pyrimidin-4-amine, 2-(azidomethyl)-...","","C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN=[N+]=[N-])N.Cl","VRMIYQTUKBDRMY-UHFFFAOYSA-N","392968",NA,"PDBC55675","694211","Present"
-"[1]Benzothieno[2,3-b]quinoxaline","","","","","","","","","","","","","","","","","","","","[1]Benzothieno[2,3-b]quinoxaline","","C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3S2","YJJGTGWWLRKTAI-UHFFFAOYSA-N","279101",NA,"PDBC55676","129364","Present"
-"[1]Benzothieno[3,2-h]isoquinoline","","","","","","","","","","","","","","","","","","","","[1]Benzothieno[3,2-h]isoquinoline","","C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)C=CN=C4","DLIRCADEYLIGEJ-UHFFFAOYSA-N","278923",NA,"PDBC55677","128877","Present"
-"[2,2'-Bi-1H-pyrrole]-3,3',5,5'-tetracarboxylic acid, 4,4'-dimethyl-, 3,3'-diethyl 5,5'-bis(phenylmethyl) ester","","","","","","","","","","","","","","","","","","","","2-O-Benzyl 4-O-ethyl 5-(3-ethoxycarbonyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)-3-methyl-1H-pyrrole-2,4-dicarboxylate","","CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C3=C(C(=C(N3)C(=O)OCC4=CC=CC=C4)C)C(=O)OCC","NSZBXNSAISNLAY-UHFFFAOYSA-N","361643",NA,"PDBC55678","624861","Present"
-"[2,2'-Bi-3H-indole]-3,3'-dione, 1,1'-dioxide","","","","","","","","","","","","","","","","","","","","1-oxido-2-(1-oxido-3-oxo-indol-1-ium-2-yl)indol-1-ium-3-one","","C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4[N+]3=O)N2[O-]","ORSKMIZDJSOETO-UHFFFAOYSA-N","362453",NA,"PDBC55679","626400","Present"
-"[2,2'-Bibicyclo[2.2.1]heptane]-3,3'-dione, 5,5',6,6,6',6'-hexamethyl-","","","","","","","","","","","","","","","","","","","","5,5,6-Trimethyl-3-(5,6,6-trimethyl-3-oxo-norbornan-2-yl)norbornan-2-one","","CC1C2CC(C1(C)C)C(C2=O)C3C4CC(C3=O)C(C4(C)C)C","CTEHDPNSLFXLOZ-UHFFFAOYSA-N","376015",NA,"PDBC55680","656395","Present"
-"[2,2'-Bithiazole]-4,4'-diacetic acid, bis(2-phenylhydrazide)","","","","","","","","","","","","","","","","","","","","2-[2-[4-[2-Oxo-2-(2-phenylhydrazinyl)ethyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-N'-phenylacetohydrazide","","C1=CC=C(C=C1)NNC(=O)CC2=CSC(=N2)C3=NC(=CS3)CC(=O)NNC4=CC=CC=C4","VJXOLDCDPGLJBF-UHFFFAOYSA-N","370054",NA,"PDBC55681","642615","Present"
-"[2,2'-Bithiazole]-5,5'-dicarboxylic acid, 4,4'-dimethyl-, bis(2,2-dimethylhydrazide)","","","","","","","","","","","","","","","","","","","","2-[5-(Dimethylaminocarbamoyl)-4-methyl-1,3-thiazol-2-yl]-N',N',4-trimethyl-1,3-thiazole-5-carbohydrazide","","CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)NN(C)C)C)C(=O)NN(C)C","JAUBKOQOJIKZRX-UHFFFAOYSA-N","370075",NA,"PDBC55682","642634","Present"
-"[2,3,4,5-Tetraacetoxy-5-(3-acetyl-5-methylsulfanyl-2H-1,3,4-thiadiazol-2-yl)pentyl] acetate","","","","","","","","","","","","","","","","","","","","[2,3,4,5-Tetraacetoxy-5-(3-acetyl-5-methylsulfanyl-2H-1,3,4-thiadiazol-2-yl)pentyl] acetate","","CC(=O)N1C(SC(=N1)SC)C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","FLSLWVRSSSRFCO-UHFFFAOYSA-N","378280",NA,"PDBC55683","660239","Present"
-"[2,3,4-Triacetoxy-5-oxo-6-[[4-oxo-2-(p-tolyl)quinazolin-3-yl]amino]hexyl] acetate","","","","","","","","","","","","","","","","","","","","[2,3,4-Triacetoxy-5-oxo-6-[[4-oxo-2-(p-tolyl)quinazolin-3-yl]amino]hexyl] acetate","","CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","HCUIFFZDKGTQHR-UHFFFAOYSA-N","363501",NA,"PDBC55684","628419","Present"
-"[2,3,4-Triacetoxy-6-[(6-bromo-4-oxo-2-phenyl-quinazolin-3-yl)amino]-5-oxo-hexyl] acetate","","","","","","","","","","","","","","","","","","","","[2,3,4-Triacetoxy-6-[(6-bromo-4-oxo-2-phenyl-quinazolin-3-yl)amino]-5-oxo-hexyl] acetate","","CC(=O)OCC(C(C(C(=O)CNN1C(=NC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C","KYMAPFVXGBCRTQ-UHFFFAOYSA-N","363502",NA,"PDBC55685","628420","Present"
-"[2,3,4-Triacetoxy-6-[[2-(2-chlorophenyl)-4-oxo-quinazolin-3-yl]amino]-5-oxo-hexyl] acetate","","","","","","","","","","","","","","","","","","","","[2,3,4-Triacetoxy-6-[[2-(2-chlorophenyl)-4-oxo-quinazolin-3-yl]amino]-5-oxo-hexyl] acetate","","CC(=O)OCC(C(C(C(=O)CNN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3Cl)OC(=O)C)OC(=O)C)OC(=O)C","LZVACXIQYZGHGW-UHFFFAOYSA-N","363500",NA,"PDBC55686","628418","Present"
-"[2,3,4-Triacetoxy-6-[[6-bromo-2-(2-chlorophenyl)-4-oxo-quinazolin-3-yl]amino]-5-oxo-hexyl] acetate","","","","","","","","","","","","","","","","","","","","[2,3,4-Triacetoxy-6-[[6-bromo-2-(2-chlorophenyl)-4-oxo-quinazolin-3-yl]amino]-5-oxo-hexyl] acetate","","CC(=O)OCC(C(C(C(=O)CNN1C(=NC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3Cl)OC(=O)C)OC(=O)C)OC(=O)C","HLCGIUQBBVVVHD-UHFFFAOYSA-N","363503",NA,"PDBC55687","628421","Present"
-"[2,3-Dichloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","[2,3-Dichloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride","","C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=C(C(=CC4=C2)Cl)Cl)C(F)(F)F)O.Cl","GAEXYGKNMFBEHT-UHFFFAOYSA-N","24198819",NA,"PDBC55688","305771","Present"
-"[2,4'-Bithiazole]-4-carboxamide, N-[3-[(4-aminobutyl)amino]propyl]-2'-(2-aminoethyl)-5'-chloro-","","","","","","","","","","","","","","","","","","","","N-[3-(4-Aminobutylamino)propyl]-2-[2-(2-aminoethyl)-5-chloro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide","","C1=C(N=C(S1)C2=C(SC(=N2)CCN)Cl)C(=O)NCCCNCCCCN","KKFJFYWIRNILQS-UHFFFAOYSA-N","375600",NA,"PDBC55689","655424","Present"
-"[2,4'-Bithiazole]-4-carboxylic acid, 2'-(2-aminoethyl)-4,5-dihydro-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-(2-aminoethyl)thiazol-4-yl]-4,5-dihydrothiazole-4-carboxylate","","COC(=O)C1CSC(=N1)C2=CSC(=N2)CCN","DKKDYACKXPBNBA-UHFFFAOYSA-N","362999",NA,"PDBC55690","627527","Present"
-"[2,4'-Bithiazole]-4-carboxylic acid, 2'-[2-(benzoylamino)ethyl]-5'-chloro-, ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2-(2-benzamidoethyl)-5-chloro-thiazol-4-yl]thiazole-4-carboxylate","","CCOC(=O)C1=CSC(=N1)C2=C(SC(=N2)CCNC(=O)C3=CC=CC=C3)Cl","WFQKJYKRNLIUCT-UHFFFAOYSA-N","375606",NA,"PDBC55691","655428","Present"
-"[2,4'-Bithiazole]-4-carboxylic acid, 2'-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-[2-[2-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl]thiazole-4-carboxylate","","CC(C)(C)OC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)OC","FNRZSKNTMLRYEN-UHFFFAOYSA-N","375607",NA,"PDBC55692","655429","Present"
-"[2,4'-Bithiazole]-4-carboxylic acid, 5,5'-dichloro-2'-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 5-chloro-2-[5-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate","","CC(C)(C)OC(=O)NCCC1=NC(=C(S1)Cl)C2=NC(=C(S2)Cl)C(=O)OC","NLWVHQUPHDAZJC-UHFFFAOYSA-N","375609",NA,"PDBC55693","655431","Present"
-"[2,5-Dichloro-4-(cyanodiazenyl)phenyl]iminocyanamide","","","","","","","","","","","","","","","","","","","","(E,E)-2,2'-(2,5-Dichlorobenzene-1,4-diyl)didiazenecarbonitrile","","C1=C(C(=CC(=C1Cl)N=NC#N)Cl)N=NC#N","RIKMXFKYBLHXMA-UHFFFAOYSA-N","374550",NA,"PDBC55694","652481","Present"
-"[2,6-Bis[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-3,5-dichlorophenyl]-phenyldiazene","","","","","","","","","","","","","","","","","","","","[2,6-Bis[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-3,5-dichlorophenyl]-phenyldiazene","","COC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OC)C3=C(C(=C(C=C3Cl)Cl)C(=CC4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N=NC6=CC=CC=C6","RKKKIWXTZVTEKP-AODXDHPKSA-N","5471485",NA,"PDBC55695","711660","Present"
-"[2,6-Bis[(Z)-2-(4-methoxyphenyl)-1-phenylethenyl]-3,5-dimethylphenyl]-(3,5-dimethylphenyl)diazene","","","","","","","","","","","","","","","","","","","","[2,6-Bis[(Z)-2-(4-methoxyphenyl)-1-phenylethenyl]-3,5-dimethylphenyl]-(3,5-dimethylphenyl)diazene","","CC1=CC(=CC(=C1)N=NC2=C(C(=CC(=C2C(=CC3=CC=C(C=C3)OC)C4=CC=CC=C4)C)C)C(=CC5=CC=C(C=C5)OC)C6=CC=CC=C6)C","HXECOXYHKBCOEE-WZBCLHGCSA-N","5471486",NA,"PDBC55696","711661","Present"
-"[2,6-Bis[(dimethylamino)methyl]cyclohexyl] benzoate;hydrochloride","","","","","","","","","","","","","","","","","","","","[2,6-Bis[(dimethylamino)methyl]cyclohexyl] benzoate;hydrochloride","","CN(C)CC1CCCC(C1OC(=O)C2=CC=CC=C2)CN(C)C.Cl","KJRXLNTXUVWCHT-UHFFFAOYSA-N","24202118",NA,"PDBC55697","629644","Present"
-"[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-piperidin-2-ylmethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-piperidin-2-ylmethanol;hydrochloride","","C1CCNC(C1)C(C2=CC(=NC(=C2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F)O.Cl","JBWUIPRRVVZMEE-UHFFFAOYSA-N","24198824",NA,"PDBC55698","305779","Present"
-"[2,6-Dihydroxy-4-[(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] hydrogen carbonate","","","","","","","","","","","","","","","","","","","","[2,6-Dihydroxy-4-[(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] hydrogen carbonate","","CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC(=C(C(=C4)O)OC(=O)O)O","YKBDHLZUOMZRHF-UHFFFAOYSA-N","369940",NA,"PDBC55699","642307","Present"
-"[2,6-Dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl] 2,2-dichloroacetate","","","","","","","","","","","","","","","","","","","","[2,6-dimethoxy-3-(4-methoxy-3,5-dimethyl-benzoyl)phenyl]...","","CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)OC(=O)C(Cl)Cl)OC","XFRXJBCGGFOXSN-UHFFFAOYSA-N","155806042",NA,"PDBC55700","797559","Present"
-"[2,6-Dimethoxy-4-[(8-oxo-6,8-dihydro-2H,9H-1,3,5,7-tetraoxadicyclopenta[b,g]naphthalen)-9-yl]phenoxy]acetic acid ethyl ester","","","","","","","","","","","","","","","","","","","","Ethyl 2-[2,6-dimethoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenoxy]acetate","","CCOC(=O)COC1=C(C=C(C=C1OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC","ZQLPEODKGJVWDK-UHFFFAOYSA-N","382369",NA,"PDBC55701","669888","Present"
-"[2,6-Dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl] acetate","","","","","","","","","","","","","","","","","","","","(Z) 4-Acetoxy-(3,4',5)-trimethoxystilbene","","CC(=O)OC1=C(C=C(C=C1OC)C=CC2=CC=C(C=C2)OC)OC","GDHFPJWOVNLKQP-WAYWQWQTSA-N","5388769",NA,"PDBC55702","638487","Present"
-"[2,6-Dinitro-4-(trifluoromethyl)phenyl]urea","","","","","","","","","","","","","","","","","","","","[2,6-Dinitro-4-(trifluoromethyl)phenyl]urea","","C1=C(C=C(C(=C1[N+](=O)[O-])NC(=O)N)[N+](=O)[O-])C(F)(F)F","ZRRSFIJLNLKKAH-UHFFFAOYSA-N","360498",NA,"PDBC55703","622632","Present"
-"[2,7-Dimethyl-7-(trimethylazaniumyl)octan-2-yl]-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[2,7-Dimethyl-7-(trimethylazaniumyl)octan-2-yl]-trimethylazanium;iodide","","CC(C)(CCCCC(C)(C)[N+](C)(C)C)[N+](C)(C)C.[I-]","SXLCQATYNNYEJL-UHFFFAOYSA-M","377585",NA,"PDBC55704","659152","Present"
-"[2-(1-Methoxycarbonyl-ethylcarbamoyl)-phenyl]-phenyliodonium trifloromethanesulfonate","","","","","","","","","","","","","","","","","","","","[2-(1-Methoxycarbonyl-ethylcarbamoyl)-phenyl]-phenyliodo...","","CC(C(=O)OC)NC(=O)C1=CC=CC=C1I(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F","RMQKJDGAJPUNEV-UHFFFAOYSA-N","24203070",NA,"PDBC55705","726629","Present"
-"[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethylamino]methanol","","","","","","","","","","","","","","","","","","","","[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethylamino]methanol","","C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCNCO","YJVYYMZSBOGKLS-UHFFFAOYSA-N","24204052",NA,"PDBC55706","730509","Present"
-"[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl] 2,6-diaminohexanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl] 2,6-diaminohexanoate;hydrochloride","","COC1C(OC(C(C1OC(=O)C(CCCCN)N)O)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O)CO.Cl","OCTLTXXEHGFQSA-UHFFFAOYSA-N","24203046",NA,"PDBC55707","726578","Present"
-"[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl] 2,6-diaminohexanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl] 2,6-diaminohexanoate;hydrochloride","","COC1C(OC(C(C1O)OC(=O)C(CCCCN)N)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O)CO.Cl","CSNQFLRPIBROIH-UHFFFAOYSA-N","24203044",NA,"PDBC55708","726577","Present"
-"[2-(1H-Indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(2-(1H-indol-4-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphe...","","COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N2)C3=C4C=CNC4=CC=C3","WDMPGPZDSGODDF-UHFFFAOYSA-N","69038102",NA,"PDBC55709","789794","Present"
-"[2-(2,4-Dichlorophenyl)quinazolin-4-yl]diethylamine, chloride","","","","","","","","","","","","","","","","","","","","N4,N4-diethyl-2-(2,4-dichlorophenyl)-4-quinazolinamine 2...","","CCN(CC)C1=NC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)Cl)Cl.Cl","CWTDGLBSTBSLGG-UHFFFAOYSA-N","18593627",NA,"PDBC55710","727967","Present"
-"[2-(2,4-Dinitrophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-3-yl]-(2-furyl)methanone","","","","","","","","","","","","","","","","","","","","[2-(2,4-Dinitrophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-3-yl]-(2-furyl)methanone","","C1C(N(N=C1C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)C5=CC=CO5","NFSSFIIBJDWFOC-UHFFFAOYSA-N","390453",NA,"PDBC55711","687807","Present"
-"[2-(2-Amino-6-oxo-1H-purin-9-yl)ethoxy-phenylmethyl]phosphonic acid;azane","","","","","","","","","","","","","","","","","","","","[2-(2-Amino-6-oxo-1H-purin-9-yl)ethoxy-phenylmethyl]phosphonic acid;azane","","C1=CC=C(C=C1)C(OCCN2C=NC3=C2N=C(NC3=O)N)P(=O)(O)O.N","XVVQPLNFONLWNQ-UHFFFAOYSA-N","135499350",NA,"PDBC55712","653813","Present"
-"[2-(2-Bromopropan-2-yl)-2-hydroxypyrrolidin-1-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[2-(2-Bromopropan-2-yl)-2-hydroxypyrrolidin-1-yl]-phenylmethanone","","CC(C)(C1(CCCN1C(=O)C2=CC=CC=C2)O)Br","SFTAJGVFLUGLSN-UHFFFAOYSA-N","357889",NA,"PDBC55713","617424","Present"
-"[2-(2-Oxochromen-3-yl)phenyl] acetate","","","","","","","","","","","","","","","","","","","","[2-(2-Oxochromen-3-yl)phenyl] acetate","","CC(=O)OC1=CC=CC=C1C2=CC3=CC=CC=C3OC2=O","LFCOKODFFYWILX-UHFFFAOYSA-N","384026",NA,"PDBC55714","673136","Present"
-"[2-(3-Chlorophenyl)quinolin-4-yl]-piperidin-2-ylmethanol","","","","","","","","","","","","","","","","","","","","[2-(3-Chlorophenyl)quinolin-4-yl](piperidin-2-yl)methanol","","C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)O","RFNVOGZLEKVTMA-UHFFFAOYSA-N","225126",NA,"PDBC55715","14224","Present"
-"[2-(3-Selenocyanatopropylcarbamoyl)phenyl] acetate","","","","","","","","","","","","","","","","","","","","2-(3-selenocyanato-propylcarbamoyl)-phenyl acetate","","CC(=O)OC1=CC=CC=C1C(=O)NCCC[Se]C#N","WENGYHKYFBHMKZ-UHFFFAOYSA-N","155812596",NA,"PDBC55716","803072","Present"
-"[2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl](2-naphthyl)methanol","","","","","","","","","","","","","","","","","","","","[2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl](2-naphthyl)methanol","","CC1(COC(=N1)C2=C(C=C(C=C2)C(F)(F)F)C(C3=CC4=CC=CC=C4C=C3)O)C","OCCIVGKBPLIWOQ-UHFFFAOYSA-N","362079",NA,"PDBC55717","625602","Present"
-"[2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone","","","","","","","","","","","","","","","","","","","","[2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone","","CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl","PDNJPJWWXOBTHE-UHFFFAOYSA-N","44456760",NA,"PDBC55718","740182","Present"
-"[2-(4-Methoxyphenoxy)phenyl]amine hydrochloride","","","","","","","","","","","","","","","","","","","","NSC624228","","COC1=CC=C(C=C1)OC2=CC=CC=C2N.Cl","SDSGQQIQBAPUTO-UHFFFAOYSA-N","361285",NA,"PDBC55719","624228","Present"
-"[2-(4-Methoxyphenyl)quinazolin-4-yl]propylamine, chloride","","","","","","","","","","","","","","","","","","","","N4-propyl-2-(4-methoxyphenyl)-4-quinazolinamine 2-(4-met...","","CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC.Cl","KVJQEUUXIONOEF-UHFFFAOYSA-N","2791338",NA,"PDBC55720","727899","Present"
-"[2-(4-Methyl-1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(2-(4-methyl-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trim...","","CC1=C2C(=CC=C1)NC=C2C3=NC=C(N3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC","PDOCIQUPMPPJRM-UHFFFAOYSA-N","138454919",NA,"PDBC55721","789795","Present"
-"[2-(4-Sulfamoylphenyl)ethylamino] N,N-diethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","[2-(4-Sulfamoylphenyl)ethylamino] N,N-diethylcarbamodithioate","","CCN(CC)C(=S)SNCCC1=CC=C(C=C1)S(=O)(=O)N","UKLPMQVFCVWYIA-UHFFFAOYSA-N","394918",NA,"PDBC55722","699011","Present"
-"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone","","","","","","","","","","","","","","","","","","","","[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone","","CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl","PNBPHTPERICKHM-UHFFFAOYSA-N","44456733",NA,"PDBC55723","740050","Present"
-"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone","","","","","","","","","","","","","","","","","","","","[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone","","CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F","SKCJLCZAXJYULM-UHFFFAOYSA-N","44456731",NA,"PDBC55724","740181","Present"
-"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone","","","","","","","","","","","","","","","","","","","","[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone","","CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC","VDBNLRDTSVSVFQ-UHFFFAOYSA-N","44456732",NA,"PDBC55725","740052","Present"
-"[2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-6-methyl-5-oxo-2H-pyran-4-yl] acetate","","","","","","","","","","","","","","","","","","","","[2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-6-methyl-5-oxo-2H-pyran-4-yl] acetate","","CC1C(=O)C(=CC(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C","BJYUGMOTHROEOV-UHFFFAOYSA-N","358202",NA,"PDBC55726","618093","Present"
-"[2-(6-Aminopurin-9-yl)-1-phenoxyethoxy]methylphosphonic acid","","","","","","","","","","","","","","","","","","","","[2-(6-Aminopurin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid","","C1=CC=C(C=C1)OC(CN2C=NC3=C(N=CN=C32)N)OCP(=O)(O)O","SHPUIWGGRSXKHJ-UHFFFAOYSA-N","395614",NA,"PDBC55727","700359","Present"
-"[2-(6-Aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]imino-iminoazanium","","","","","","","","","","","","","","","","","","","","9H-Purin-6-amine, 9-(2-azido-2-deoxy-.beta.-D-arabinofur...","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)N=[N+]=N)N","VDXQOFCIZJOTIP-UHFFFAOYSA-N","6332501",NA,"PDBC55728","350378","Present"
-"[2-(Acetonylamino)-4-(acetoxymercurio)-6-chloro-3,5-dimethoxy-phenyl]-acetoxy-mercury","","","","","","","","","","","","","","","","","","","","[2-(Acetonylamino)-4-(acetoxymercurio)-6-chloro-3,5-dimethoxy-phenyl]-acetoxy-mercury","","CC(=O)CNC1=C(C(=C(C(=C1[Hg]OC(=O)C)Cl)OC)[Hg]OC(=O)C)OC","KJOAWFXSHYXYIH-UHFFFAOYSA-L","16683869",NA,"PDBC55729","637198","Present"
-"[2-(Benzenecarbonothioyl)-4,6-dimethyl-3,5-diphenyl-phenyl] acetate","","","","","","","","","","","","","","","","","","","","[2-(Benzenecarbonothioyl)-4,6-dimethyl-3,5-diphenyl-phenyl] acetate","","CC1=C(C(=C(C(=C1C2=CC=CC=C2)C(=S)C3=CC=CC=C3)OC(=O)C)C)C4=CC=CC=C4","ANLRMKXCSBVPGW-UHFFFAOYSA-N","363285",NA,"PDBC55730","628080","Present"
-"[2-(Benzyloxycarbonylamino)-2-methyl-propanoyl] 2-(benzyloxycarbonylamino)-2-methyl-propanoate","","","","","","","","","","","","","","","","","","","","[2-(Benzyloxycarbonylamino)-2-methyl-propanoyl] 2-(benzyloxycarbonylamino)-2-methyl-propanoate","","CC(C)(C(=O)OC(=O)C(C)(C)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","WMDKFTLDWRRKMB-UHFFFAOYSA-N","382258",NA,"PDBC55731","669713","Present"
-"[2-(Bromomethyl)-3-hydroxy-2-methylpropyl] 4-amino-3,5-dibromobenzoate","","","","","","","","","","","","","","","","","","","","[2-(Bromomethyl)-3-hydroxy-2-methyl-propyl] 4-amino-3,5-dibromo-benzoate","","CC(CO)(COC(=O)C1=CC(=C(C(=C1)Br)N)Br)CBr","JQCIIGGKNVESGC-UHFFFAOYSA-N","398094",NA,"PDBC55732","707459","Present"
-"[2-(Butylcarbamoyloxy)-3-(2-methoxyphenoxy)propyl] N-butylcarbamate","","","","","","","","","","","","","","","","","","","","[2-(Butylcarbamoyloxy)-3-(2-methoxyphenoxy)propyl] N-butylcarbamate","","CCCCNC(=O)OCC(COC1=CC=CC=C1OC)OC(=O)NCCCC","NVDHWARUJMVIPG-UHFFFAOYSA-N","367257",NA,"PDBC55733","636805","Present"
-"[2-(Carboxymethyl-amino)-6-phenyl-pyrimidin-4-ylamino]-acetic acid","","","","","","","","","","","","","","","","","","","","[2-(Carboxymethyl-amino)-6-phenyl-pyrimidin-4-ylamino]-acetic acid","","C1=CC=C(C=C1)C2=CC(=NC(=N2)NCC(=O)O)NCC(=O)O","VAVRGNMIQUKSHJ-UHFFFAOYSA-N","362993",NA,"PDBC55734","627521","Present"
-"[2-(Cyanomethyl)-1H-indol-3-yl]methyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[2-(Cyanomethyl)-1H-indol-3-yl]methyl-trimethylazanium;iodide","","C[N+](C)(C)CC1=C(NC2=CC=CC=C21)CC#N.[I-]","XFDPGPFYMHAUCV-UHFFFAOYSA-M","372102",NA,"PDBC55735","646977","Present"
-"[2-(Diaminomethylideneamino)-3-hydroxy-2-(hydroxymethyl)propyl] (1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate","","","","","","","","","","","","","","","","","","","","2-guanidyl-3-hydroxy-2-(hydroxymethyl)propyl-3Beta -acet...","","CC(C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OCC(CO)(CO)N=C(N)N","PXQFDNQPHRWPMP-UIHVXSLISA-N","155807758",NA,"PDBC55736","803444","Present"
-"[2-(Dimethylamino)-4-phenyl-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone","","","","","","","","","","","","","","","","","","","","(2-Dimethylamino-4-phenyl-thiazol-5-yl)-(1h-indol-3-yl)methanone","","CN(C)C1=NC(=C(S1)C(=O)C2=CNC3=CC=CC=C32)C4=CC=CC=C4","PGGUKTASVVXZGV-UHFFFAOYSA-N","399628",NA,"PDBC55737","710537","Present"
-"[2-(Dimethylamino)-4-phenyl-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(2-Dimethylamino-4-phenyl-thiazol-5-yl)-(4-methoxyphenyl)methanone","","CN(C)C1=NC(=C(S1)C(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3","KCCMDZFYGNNSQK-UHFFFAOYSA-N","399625",NA,"PDBC55738","710534","Present"
-"[2-(Dimethylamino)-9-(methoxymethyl)-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate","","","","","","","","","","","","","","","","","","","","[2-(Dimethylamino)-9-(methoxymethyl)-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate","","CC(=O)OC1=CC2=C(C=C1)N(C3=C2C(=O)OC(=N3)N(C)C)COC","ZHOWCOYSQMLCEL-UHFFFAOYSA-N","384425",NA,"PDBC55739","674202","Present"
-"[2-(Furan-2-carbonyl)phenyl]-(furan-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[2-(Furan-2-carbonyl)phenyl]-(furan-2-yl)methanone","","C1=CC=C(C(=C1)C(=O)C2=CC=CO2)C(=O)C3=CC=CO3","BARHEOZMPTWDNM-UHFFFAOYSA-N","358263",NA,"PDBC55740","618206","Present"
-"[2-(Furan-2-ylmethylamino)phenyl]-[4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]methanone","","","","","","","","","","","","","","","","","","","","(4-(2-(furan-2-ylmethylamino)benzoyl)piperazin-1-yl)(2-p...","","COC1=CC(=CC(=C1OC)OC)C2=CC(=NC3=CC(=NN23)C4=CC=CC=C4)C(=O)N5CCN(CC5)C(=O)C6=CC=CC=C6NCC7=CC=CO7","DOIMEWNEZLGWQF-UHFFFAOYSA-N","71466692",NA,"PDBC55741","755289","Present"
-"[2-(Hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate","","","","","","","","","","","","","","","","","","","","[2-(Hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate","","CCCCCCCCCCCCCC(=O)OC1CC(=O)OC1CO","ZAAPYHDKFLKBSV-UHFFFAOYSA-N","360096",NA,"PDBC55742","621946","Present"
-"[2-(Methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate;iodide","","","","","","","","","","","","","","","","","","","","[2-(Methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate;iodide","","CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCC[N+]1=CC=CC2=CC=CC=C21)COC.[I-]","UFNAGERDWFMQCH-UHFFFAOYSA-N","375730",NA,"PDBC55743","655739","Present"
-"[2-(Morpholin-4-ylmethyl)phenyl]methyl 3-bromobenzoate;hydrochloride","","","","","","","","","","","","","","","","","","","","[2-(Morpholin-4-ylmethyl)phenyl]methyl 3-bromobenzoate;hydrochloride","","C1COCCN1CC2=CC=CC=C2COC(=O)C3=CC(=CC=C3)Br.Cl","UPJYERYVCLVKKF-UHFFFAOYSA-N","24194965",NA,"PDBC55744","175202","Present"
-"[2-(Morpholin-4-ylmethyl)phenyl]methyl 4-bromobenzoate","","","","","","","","","","","","","","","","","","","","[2-(Morpholin-4-ylmethyl)phenyl]methyl 4-bromobenzoate","","C1COCCN1CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)Br","LLPCLDKDKJVBFA-UHFFFAOYSA-N","300500",NA,"PDBC55745","175203","Present"
-"[2-(Tert-butyldisulfanyl)-1-methyl-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[2-(Tert-butyldisulfanyl)-1-methyl-1H-imidazole-4,5-diyl]dimethanediyl bis(methylcarbamate)","","CC(C)(C)SSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC","JYWQNPPIDJENSS-UHFFFAOYSA-N","361115",NA,"PDBC55746","623925","Present"
-"[2-Acetoxy-3-(3,4-dihydroxyphenyl)-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate","","","","","","","","","","","","","","","","","","","","[2-Acetoxy-3-(3,4-dihydroxyphenyl)-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate","","CC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C","ZJYMCBIUBPWIGC-UHFFFAOYSA-N","357890",NA,"PDBC55747","617425","Present"
-"[2-Acetyloxy-3-(1,3-dithiolan-2-yl)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate","","","","","","","","","","","","","","","","","","","","[2-Acetyloxy-3-(1,3-dithiolan-2-yl)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate","","CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(C(CC34C)OC(=O)C)C5SCCS5)C","DFABLELMPQAIGW-UHFFFAOYSA-N","274824",NA,"PDBC55748","121137","Present"
-"[2-Acetyloxy-3-[3,11a-di(butan-2-yl)-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate","","","","","","","","","","","","","","","","","","","","[2-Acetyloxy-3-[3,11a-di(butan-2-yl)-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate","","CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)O)O)O)C(C)CC)[O-])O","ZRUOGCKQVBXKOD-UHFFFAOYSA-N","404980",NA,"PDBC55749","721620","Present"
-"[2-Acetyloxy-4-(hydroxymethyl)phenyl] acetate","","","","","","","","","","","","","","","","","","","","[2-Acetyloxy-4-(hydroxymethyl)phenyl] acetate","","CC(=O)OC1=C(C=C(C=C1)CO)OC(=O)C","ITZGFBXNXYRFCU-UHFFFAOYSA-N","434729",NA,"PDBC55750","355464","Present"
-"[2-Amino-4-(benzyloxy)-5-methoxyphenyl][4-(2-methoxyphenyl)piperazino]methanone","","","","","","","","","","","","","","","","","","","","2-amino-4-benzyloxy-5-methoxyphenyl-4-(2-methoxyphenyl)h...","","COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3N)OCC4=CC=CC=C4)OC","KAQFQJMDPDDSIF-UHFFFAOYSA-N","24206030",NA,"PDBC55751","737739","Present"
-"[2-Amino-4-(benzyloxy)-5-methoxyphenyl][4-(2-pyridyl)piperazino]methanone","","","","","","","","","","","","","","","","","","","","2-amino-4-benzyloxy-5-methoxyphenyl-4-(2-pyridyl)hexahyd...","","COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)N)OCC4=CC=CC=C4","NIFBFNPRPBSXEJ-UHFFFAOYSA-N","25014604",NA,"PDBC55752","740388","Present"
-"[2-Amino-4-(benzyloxy)-5-methoxyphenyl][4-(2-pyrimidinyl)piperazino]methanone","","","","","","","","","","","","","","","","","","","","2-amino-4-benzyloxy-5-methoxyphenyl-4-(2-pyrimidinyl)hex...","","COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)N)OCC4=CC=CC=C4","LNQYAZDIODSUAA-UHFFFAOYSA-N","25014685",NA,"PDBC55753","740389","Present"
-"[2-Amino-4-(benzyloxy)-5-methoxyphenyl][4-(4-quinazolinyl)piperazino]methanone","","","","","","","","","","","","","","","","","","","","2-amino-5-benzyloxy-4-methoxy hexahydro-1-phenyl -4-( 4-...","","COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC=NC4=CC=CC=C43)N)OCC5=CC=CC=C5","WOLYEYLHIRKTJK-UHFFFAOYSA-N","24936159",NA,"PDBC55754","742257","Present"
-"[2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidin-5-yl]methanol","","","","","","","","","","","","","","","","","","","","[2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidin-5-yl]methanol","","C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)CO)CO","ZLYIJMADYJWPRM-UHFFFAOYSA-N","385259",NA,"PDBC55755","676370","Present"
-"[2-Azido-1-methyl-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","1-Methyl-2-azido-4,5-bis(hydroxymethyl)imidazole bis(N-m...","","CNC(=O)OCC1=C(N(C(=N1)N=[N+]=[N-])C)COC(=O)NC","VIKJORKRPAFSOV-UHFFFAOYSA-N","384840",NA,"PDBC55756","675358","Present"
-"[2-Benzoyloxy-2-[4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate","","","","","","","","","","","","","","","","","","","","[2-Benzoyloxy-1-[4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate","","C1CCC(CC1)(C2CC(OC2=O)C(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O","NLEUDQVBLMCEFF-UHFFFAOYSA-N","390945",NA,"PDBC55757","689198","Present"
-"[2-Benzoyloxy-2-[4-[cyclohexyl(hydroxy)methyl]-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate","","","","","","","","","","","","","","","","","","","","[2-Benzoyloxy-1-[4-(cyclohexyl-hydroxy-methyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate","","C1CCC(CC1)C(C2CC(OC2=O)C(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O","ZXXSDMTTYBJLTO-UHFFFAOYSA-N","390932",NA,"PDBC55758","689185","Present"
-"[2-Bromo-2-[5-(2-bromopropan-2-yl)-2-methyloxolan-2-yl]ethyl] acetate","","","","","","","","","","","","","","","","","","","","2-Bromo-2-[5-(2-bromopropan-2-yl)-2-methyltetrahydrofuran-2-yl]ethyl acetate","","CC(=O)OCC(C1(CCC(O1)C(C)(C)Br)C)Br","MFOZEGIDWYEJRE-UHFFFAOYSA-N","382924",NA,"PDBC55759","670801","Present"
-"[2-Bromo-4-(phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate","","","","","","","","","","","","","","","","","","","","[2-Bromo-4-(phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate","","CN(C)C(=O)OC1=C(C=C(C=C1)C(=S)NC2=CC=CC=C2)Br","WQSAFVMHZDGAHM-UHFFFAOYSA-N","5471254",NA,"PDBC55760","710007","Present"
-"[2-Chloro-1-(chloromethyl)ethyl] 2-diazoacetate","","","","","","","","","","","","","","","","","","","","2-diazonio-1-[(1,3-dichloropropan-2-yl)oxy]ethenolate","","C(C(CCl)OC(=O)C=[N+]=[N-])Cl","QXERJPBSSOYPHQ-UHFFFAOYSA-N","386742",NA,"PDBC55761","679283","Present"
-"[2-Chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol","","","","","","","","","","","","","","","","","","","","NSC768017","","C1CC(N(C1)C2=CC(=C(C=C2)CO)Cl)C3=CC=CC=C3","OSBBQKYAGFFXHU-UHFFFAOYSA-N","155808510",NA,"PDBC55762","768017","Present"
-"[2-Chloro-4-(dipropylamino)phenyl]methanol","","","","","","","","","","","","","","","","","","","","NSC761219","","CCCN(CCC)C1=CC(=C(C=C1)CO)Cl","REWBXBYOXLIWLU-UHFFFAOYSA-N","108293645",NA,"PDBC55763","761219","Present"
-"[2-Chloro-4-[ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol","","","","","","","","","","","","","","","","","","","","(2-Chloro-4-((4-fluorobenzyl)(ethyl)amino)phenyl)methanol","","CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","MLQWJIOFIWIYFM-UHFFFAOYSA-N","155808123",NA,"PDBC55764","763131","Present"
-"[2-Chloro-5-(thiocyanatomethyl)phenyl]methyl thiocyanate","","","","","","","","","","","","","","","","","","","","[2-Chloro-5-(thiocyanatomethyl)phenyl]methyl thiocyanate","","C1=CC(=C(C=C1CSC#N)CSC#N)Cl","XLWJHNAFCNUFOP-UHFFFAOYSA-N","352645",NA,"PDBC55765","527310","Present"
-"[2-Chloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride","","","","","","","","","","","","","","","","","","","","[2-Chloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride","","C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=CC(=CC4=C2)Cl)C(F)(F)F)O.Cl","UEJZXLNBNNILAW-UHFFFAOYSA-N","24198816",NA,"PDBC55766","305766","Present"
-"[2-Ethoxy-3-(octadecanoylamino)propyl] dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","Phosphate-18-OEt","","CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)O)OCC","WDPLVKQQISOEKQ-UHFFFAOYSA-N","372662",NA,"PDBC55767","648157","Present"
-"[2-Heptadecyl-6-(2-methoxyethoxymethoxy)phenyl]methanol","","","","","","","","","","","","","","","","","","","","[2-Heptadecyl-6-(2-methoxyethoxymethoxy)phenyl]methanol","","CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCOCCOC)CO","GQJYDZQEZRVOMB-UHFFFAOYSA-N","391581",NA,"PDBC55768","691036","Present"
-"[2-Hydroxy-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[2-Hydroxy-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium;iodide","","C[N+](C)(C)CC1CCCC(C1O)C[N+](C)(C)C.[I-]","VABYMYIHURCRJW-UHFFFAOYSA-M","364020",NA,"PDBC55769","629639","Present"
-"[2-Hydroxyimino-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[2-Hydroxyimino-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium;iodide","","C[N+](C)(C)CC1CCCC(C1=NO)C[N+](C)(C)C.[I-]","SAGLASOEZOMDBD-UHFFFAOYSA-N","364013",NA,"PDBC55770","629635","Present"
-"[2-Hydroxyimino-3-[(trimethylazaniumyl)methyl]cyclopentyl]methyl-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[2-Hydroxyimino-3-[(trimethylazaniumyl)methyl]cyclopentyl]methyl-trimethylazanium;iodide","","C[N+](C)(C)CC1CCC(C1=NO)C[N+](C)(C)C.[I-]","QVOMHTHJWHOOGB-UHFFFAOYSA-N","368971",NA,"PDBC55771","640395","Present"
-"[2-Methoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenyl] acetate","","","","","","","","","","","","","","","","","","","","[2-Methoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenyl] acetate","","CC(=O)OC1=C(C=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC","BKHOASBTILGREP-UHFFFAOYSA-N","384852",NA,"PDBC55772","675370","Present"
-"[2-Methoxy-4-(methylsulfanyl)phenyl](3-methylpiperidino)methanone","","","","","","","","","","","","","","","","","","","","NSC766602","","CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)SC)OC","JVFMMAIMHHHKEZ-UHFFFAOYSA-N","2890365",NA,"PDBC55773","766602","Present"
-"[2-Methoxy-4-[(E)-3-oxobut-1-enyl]phenyl] dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","[2-Methoxy-4-[(E)-3-oxobut-1-enyl]phenyl] dihydrogen phosphate","","CC(=O)C=CC1=CC(=C(C=C1)OP(=O)(O)O)OC","UJHLLPOTVSIRQZ-ONEGZZNKSA-N","5467951",NA,"PDBC55774","660670","Present"
-"[2-Methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] benzoate","","","","","","","","","","","","","","","","","","","","[2-Methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] benzoate","","COC1=C(C=CC(=C1)C=NNC2=CC=CC=C2)OC(=O)C3=CC=CC=C3","BCKBXKGIFZTBHM-JCMHNJIXSA-N","5712309",NA,"PDBC55775","201857","Present"
-"[2-Methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]copper; 2-(2-pyridyl)pyridine","","","","","","","","","","","","","","","","","","","","[2-Methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]copper; 2-(2-pyridyl)pyridine","","","","",NA,"PDBC55776","638307","Present"
-"[2-Methoxy-6-methyl-3-(4-methylphenyl)sulfonyloxy-5-phenylmethoxyoxan-4-yl] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[2-Methoxy-6-methyl-3-(4-methylphenyl)sulfonyloxy-5-phenylmethoxyoxan-4-yl] 4-methylbenzenesulfonate","","CC1C(C(C(C(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)OCC4=CC=CC=C4","VTEZMKMLIJUBQW-UHFFFAOYSA-N","359618",NA,"PDBC55777","620677","Present"
-"[2-Methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(6-methylnaphthalen-1-yl)methanone;hydrochloride","","","","","","","","","","","","","","","","","","","","[2-Methyl-1-(2-morpholinoethyl)indol-3-yl]-(6-methyl-1-naphthyl)methanone hydrochloride","","CC1=CC2=C(C=C1)C(=CC=C2)C(=O)C3=C(N(C4=CC=CC=C43)CCN5CCOCC5)C.Cl","ZMSLFQFOUJNMDI-UHFFFAOYSA-N","399882",NA,"PDBC55778","711021","Present"
-"[2-Methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol","","","","","","","","","","","","","","","","","","","","[2-Methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol","","CC1(C(O1)COCC2=CC=CC=C2)CO","VNHSMMYENUVHEL-UHFFFAOYSA-N","359259",NA,"PDBC55779","619975","Present"
-"[2-Octadecanoyloxy-3-[3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxypropyl] octadecanoate","","","","","","","","","","","","","","","","","","","","[2-Octadecanoyloxy-3-[3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxypropyl] octadecanoate","","CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COP(=O)(O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC","JWRRVIFXCMSXOD-UHFFFAOYSA-N","360773",NA,"PDBC55780","623122","Present"
-"[2-Oxo-2-(4-phenylphenyl)ethyl] 2-methylbutanoate","","","","","","","","","","","","","","","","","","","","[2-Oxo-2-(4-phenylphenyl)ethyl] 2-methylbutanoate","","CCC(C)C(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2","AAELEXHXAJIHRT-UHFFFAOYSA-N","347356",NA,"PDBC55781","405995","Present"
-"[2-Sulfanylidene-3-(3,4,5-trimethoxybenzoyl)imidazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[2-Thioxo-3-(3,4,5-trimethoxybenzoyl)imidazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone","","COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C2=S)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","AYIIRPZKKRWVJM-UHFFFAOYSA-N","396753",NA,"PDBC55782","703463","Present"
-"[2-Sulfanylidene-3-(thiophene-2-carbonyl)imidazolidin-1-yl]-thiophen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","2-Thienyl-[3-(thiophene-2-carbonyl)-2-thioxo-imidazolidin-1-yl]methanone","","C1CN(C(=S)N1C(=O)C2=CC=CS2)C(=O)C3=CC=CS3","RLPHRVNQGMNXAS-UHFFFAOYSA-N","396758",NA,"PDBC55783","703468","Present"
-"[2-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 4-benzylpiperazine-1-carbodithioate","","","","","","","","","","","","","","","","","","","","[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate","","CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4","YBERZWDLPZNKTJ-UHFFFAOYSA-N","389294",NA,"PDBC55784","685113","Present"
-"[2-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-Hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]-2-oxoethyl] acetate","","","","","","","","","","","","","","","","","","","","[2-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-Hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]-2-oxoethyl] acetate","","CC(=O)OCC(=O)C12C(CC3C1(CCC4C3CC=C5C4(CCC(C5)O)C)C)OC(O2)(C)C","ZGSRADNVNCTCOP-IFIMTULTSA-N","247516",NA,"PDBC55785","62349","Present"
-"[2-[(1S,2R,13S,14S,16R,17R,18S,20S)-7-(4-Fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl] acetate","","","","","","","","","","","","","","","","","","","","Ketone, 7-(p-fluorophenyl)-1,2,3,3a,3b,7,10,10a,10b,11,1...","","CC1CC2C3C=C(C4=CC5=C(CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)C=NN5C6=CC=C(C=C6)F)C","KJNKUWPHEOSYKL-YKODMQRZSA-N","255700",NA,"PDBC55786","81403","Present"
-"[2-[(1Z,4Z,9Z,15Z)-10,15,20-Tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine","","","","","","","","","","","","","","","","","","","","[2-[10,15,20-Tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine","","C1=CC=C(C(=C1)CN)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7CN)C8=CC=CC=C8CN)C=C4)C9=CC=CC=C9CN)N3","PVCWQURBGYAGRF-UHFFFAOYSA-N","135409013",NA,"PDBC55787","653141","Present"
-"[2-[(2,6-Diaminopurin-9-yl)methyl]phenyl]methanol","","","","","","","","","","","","","","","","","","","","{2-[(2,6-Diamino-9h-purin-9-yl)methyl]phenyl}methanol","","C1=CC=C(C(=C1)CN2C=NC3=C(N=C(N=C32)N)N)CO","LKBKYLQJCOOSQV-UHFFFAOYSA-N","405764",NA,"PDBC55788","723385","Present"
-"[2-[(2E)-2-[(E)-1-[2-(2-Acetylhydrazino)-4-methyl-thiazol-5-yl]-3-(4-chlorophenyl)prop-2-enylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium","","","","","","","","","","","","","","","","","","","","[2-[(2E)-2-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-chlorophenyl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=O)C[N+](C)(C)C)C=CC2=CC=C(C=C2)Cl.[Cl-]","FSRAWEYBAJPGBG-YGCVIUNWSA-N","135483958",NA,"PDBC55789","647083","Present"
-"[2-[(2E)-2-[2-[(2-Cyano-4-nitroso-phenyl)carbamoyl]-7-hydroxy-chromen-4-ylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium","","","","","","","","","","","","","","","","","","","","[2-[(2E)-2-[2-[(2-Cyano-4-nitrosophenyl)carbamoyl]-7-hydroxychromen-4-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","C[N+](C)(C)CC(=O)NN=C1C=C(OC2=C1C=CC(=C2)O)C(=O)NC3=C(C=C(C=C3)N=O)C#N.[Cl-]","IWQQALQFSSTWJF-UHFFFAOYSA-N","135483960",NA,"PDBC55790","647113","Present"
-"[2-[(2Z)-2-[1-[(3-Chloro-1,4-dioxo-2-naphthyl)carbamoyl]-2-cyano-2-[4-(4-nitrophenyl)thiazol-2-yl]ethylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium","","","","","","","","","","","","","","","","","","","","Propanamide, N-(2-chloro-1,4-dioxo-3-naphthalenyl)-3-cya...","","C[N+](C)(C)CC(=O)NN=C(C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl.[Cl-]","YXKZPPBTPDQPQW-UHFFFAOYSA-N","9574385",NA,"PDBC55791","642061","Present"
-"[2-[(2Z)-2-[1-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]-3-cyano-3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","","","","","","","","","","","","","","","","","","","[2-[(2Z)-2-[1-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]-3-cyano-3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","C[N+](C)(C)CC(=O)NN=C(C(C#N)C1=CSC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl.[Cl-]","OLWHRBKNDYZXNU-UHFFFAOYSA-N","16721159",NA,"PDBC55792","646793","Present"
-"[2-[(4-Chloro-2-methylphenyl)carbamoylamino]-2-methylpropyl] N-(3-chlorophenyl)carbamate","","","","","","","","","","","","","","","","","","","","[2-[(4-Chloro-2-methylphenyl)carbamoylamino]-2-methylpropyl] N-(3-chlorophenyl)carbamate","","CC1=C(C=CC(=C1)Cl)NC(=O)NC(C)(C)COC(=O)NC2=CC(=CC=C2)Cl","MGNFKTGRQZWELS-UHFFFAOYSA-N","341374",NA,"PDBC55793","373300","Present"
-"[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate","","","","","","","","","","","","","","","","","","","","[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate","","CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4","YQNXQGOKCYCJOD-UHFFFAOYSA-N","60147855",NA,"PDBC55794","752678","Present"
-"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate","","","","","","","","","","","","","","","","","","","","[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate","","CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)C5CCCC5)O)C)O","RXDVZAPLJRNAQU-KJKDQFDUSA-N","226609",NA,"PDBC55795","17245","Present"
-"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-chloro-platinum","","","","","","","","","","","","","","","","","","","","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-chloro-platinum","","","","",NA,"PDBC55796","638284","Present"
-"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-cobalt","","","","","","","","","","","","","","","","","","","","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-cobalt","","","","",NA,"PDBC55797","638275","Present"
-"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper","","","","","","","","","","","","","","","","","","","","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper","","","","",NA,"PDBC55798","638279","Present"
-"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper; 2-(2-pyridyl)pyridine","","","","","","","","","","","","","","","","","","","","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper; 2-(2-pyridyl)pyridine","","","","",NA,"PDBC55799","638302","Present"
-"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel","","","","","","","","","","","","","","","","","","","","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel","","","","",NA,"PDBC55800","638277","Present"
-"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel; 1,10-phenanthroline","","","","","","","","","","","","","","","","","","","","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel; 1,10-phenanthroline","","","","",NA,"PDBC55801","638300","Present"
-"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-palladium; pyridine","","","","","","","","","","","","","","","","","","","","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-palladium; pyridine","","","","",NA,"PDBC55802","638294","Present"
-"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-zinc","","","","","","","","","","","","","","","","","","","","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-zinc","","","","",NA,"PDBC55803","638280","Present"
-"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]copper; pyridine","","","","","","","","","","","","","","","","","","","","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]copper; pyridine","","","","",NA,"PDBC55804","638287","Present"
-"[2-[(E)-2-(Furan-3-yl)ethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]methanol","","","","","","","","","","","","","","","","","","","","[2-[(E)-2-(Furan-3-yl)ethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]methanol","","C1CC2C(C(ON2C1)C=CC3=COC=C3)CO","WSCBDIITFNPYBC-ONEGZZNKSA-N","5387273",NA,"PDBC55805","622347","Present"
-"[2-[1,4-Dioxaspiro[4.5]dec-8-ene-8-carbonyl(methyl)amino]phenyl] trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","[2-[1,4-Dioxaspiro[4.5]dec-8-ene-8-carbonyl(methyl)amino]phenyl] trifluoromethanesulfonate","","CN(C1=CC=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)C2=CCC3(CC2)OCCO3","GFUKDNYOSHKBPG-UHFFFAOYSA-N","393186",NA,"PDBC55806","694674","Present"
-"[2-[1-(6-Benzyl-5-methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethyl-phenoxycarbonyl-amino] phenyl carbonate","","","","","","","","","","","","","","","","","","","","[2-[1-(6-Benzyl-5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl-phenoxycarbonylamino] phenyl carbonate","","CC1=C(N(C(=O)NC1=O)C(C)OCCN(C(=O)OC2=CC=CC=C2)OC(=O)OC3=CC=CC=C3)CC4=CC=CC=C4","SZHWNXZOOPAZMP-UHFFFAOYSA-N","392545",NA,"PDBC55807","693088","Present"
-"[2-[2,5-Bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] 4-formylpiperazine-1-carboxylate","","","","","","","","","","","","","","","","","","","","1-Piperazinecarboxylic acid, 4-formyl-, 2-[2,5-bis(1-azi...","","CC1=C(C(=O)C(=C(C1=O)N2CC2)C(COC(=O)N3CCN(CC3)C=O)OC)N4CC4","OPZPXFXYAFEBOV-UHFFFAOYSA-N","338440",NA,"PDBC55808","360702","Present"
-"[2-[2-(Methylcarbamoyloxy)-4-propan-2-ylphenyl]sulfanyl-5-propan-2-ylphenyl] N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[2-[2-(Methylcarbamoyloxy)-4-propan-2-ylphenyl]sulfanyl-5-propan-2-ylphenyl] N-methylcarbamate","","CC(C)C1=CC(=C(C=C1)SC2=C(C=C(C=C2)C(C)C)OC(=O)NC)OC(=O)NC","KUTLSGIKXCDJQK-UHFFFAOYSA-N","412419",NA,"PDBC55809","39631","Present"
-"[2-[2-[2,6-Dimethyl-5-[[[2-(trimethylammonio)acetyl]amino]carbamoyl]-1,4-dihydropyridine-3-carbonyl]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium","","","","","","","","","","","","","","","","","","","","[2-[2-[2,6-Dimethyl-5-[[[2-(trimethylazaniumyl)acetyl]amino]carbamoyl]-1,4-dihydropyridine-3-carbonyl]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride","","CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C[N+](C)(C)C)C(=O)NNC(=O)C[N+](C)(C)C.[Cl-]","VZWQPOHFPITTGV-UHFFFAOYSA-O","457988",NA,"PDBC55810","657661","Present"
-"[2-[2-[5-(4-Aminophenyl)-1,3,4-oxadiazol-2-yl]-3,4,5,6-tetrachlorophenyl]-3H-benzimidazol-5-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[2-[2-[5-(4-Aminophenyl)-1,3,4-oxadiazol-2-yl]-3,4,5,6-tetrachlorophenyl]-3H-benzimidazol-5-yl]-phenylmethanone","","C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NN=C(O5)C6=CC=C(C=C6)N","ZLDPUEAVRGIDJJ-UHFFFAOYSA-N","402242",NA,"PDBC55811","716133","Present"
-"[2-[3-(3-Nitrophenyl)prop-2-enoyl]phenyl] acetate","","","","","","","","","","","","","","","","","","","","[2-[3-(3-Nitrophenyl)prop-2-enoyl]phenyl] acetate","","CC(=O)OC1=CC=CC=C1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]","KHTNQYZKWWXHER-MDZDMXLPSA-N","5357245",NA,"PDBC55812","73612","Present"
-"[2-[4-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate","","","","","","","","","","","","","","","","","","","","[2-[4-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate","","CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3","BJYTYMSJKWBAPM-UHFFFAOYSA-N","4853652",NA,"PDBC55813","743405","Present"
-"[2-[Bis(1,4-dihydroxy-9,10-dioxo-2-anthryl)methyl]-4,5-dihydroxy-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[2-[Bis(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]-4,5-dihydroxyoxolan-3-yl] 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC2C(C3=CC(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)C6=CC(=C7C(=C6O)C(=O)C8=CC=CC=C8C7=O)O)O)O","XLTVPIQCSHNKCJ-UHFFFAOYSA-N","378632",NA,"PDBC55814","661424","Present"
-"[2-[Bis(2,2,2-trichloroethoxy)phosphoryloxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] butanoate","","","","","","","","","","","","","","","","","","","","[2-[Bis(2,2,2-trichloroethoxy)phosphoryloxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] butanoate","","CCCC(=O)OC1CC(OC1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)N2C=C(C(=O)NC2=O)F","MVHMLFUBYIRNJA-UHFFFAOYSA-N","382830",NA,"PDBC55815","670654","Present"
-"[2-[[(4-Acetamido-2-ethoxybenzoyl)amino]carbamoyl]phenyl] acetate","","","","","","","","","","","","","","","","","","","","2-[(2-{[4-(Acetylamino)-2-ethoxyphenyl]carbonyl}hydrazino)carbonyl]phenyl acetate","","CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NNC(=O)C2=CC=CC=C2OC(=O)C","RZOGGGZUALLDHU-UHFFFAOYSA-N","402303",NA,"PDBC55816","716194","Present"
-"[2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-3,5-dihydroxyoxan-4-yl] acetate","","","","","","","","","","","","","","","","","","","","[2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-3,5-dihydroxyoxan-4-yl] acetate","","CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(CO4)O)OC(=O)C)O)C)C=C(C)C)C","LIGCKFITVVCGPV-UAJMXEJBSA-N","24203402",NA,"PDBC55817","727911","Present"
-"[2-[[2-(Tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetyl]-[[[2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetyl]amino]methyl]-methylene-ammonium","","","","","","","","","","","","","","","","","","","","Methylidene-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]acetyl]-[[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]acetyl]amino]methy","","CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)NC[N+](=C)C(=O)CNC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C","IFJSDRFMXQTEAV-UHFFFAOYSA-O","382250",NA,"PDBC55818","669705","Present"
-"[2-[[2-(Tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]acetyl]-[[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]acetyl]amino]methyl]-methylene-ammonium","","","","","","","","","","","","","","","","","","","","Methylidene-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetyl]-[[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetyl]amino]methyl]azanium","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC[N+](=C)C(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C","AWPJXYWCJKIYII-UHFFFAOYSA-O","382251",NA,"PDBC55819","669706","Present"
-"[2-[[3-(2-Acetyloxybenzoyl)-1,3-selenazinan-2-ylidene]carbamoyl]phenyl] acetate","","","","","","","","","","","","","","","","","","","","2-[3-(2-acetoxy-benzoyl)-[1,3]selenazinan-2-ylidenecarba...","","CC(=O)OC1=CC=CC=C1C(=O)N=C2N(CCC[Se]2)C(=O)C3=CC=CC=C3OC(=O)C","LVFTWKIJUSEIGE-UHFFFAOYSA-N","155812591",NA,"PDBC55820","803070","Present"
-"[2-[[6-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-(4-nitrophenyl)carbamate","","","","","","","","","","","","","","","","","","","","[2-[[6-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-(4-nitrophenyl)carbama","","CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C(CO)O)OC(O4)(C)C)OC(=O)NC5=CC=C(C=C5)[N+](=O)[O-])OC(O2)(C)C","XBEGQJXSHUSJEG-UHFFFAOYSA-N","45028438",NA,"PDBC55821","742852","Present"
-"[2-[[6-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-phenylcarbamate","","","","","","","","","","","","","","","","","","","","[2-[[6-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-phenylcarbamate","","CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C(CO)O)OC(O4)(C)C)OC(=O)NC5=CC=CC=C5)OC(O2)(C)C","PEGIQNOKUZXIKK-UHFFFAOYSA-N","45028437",NA,"PDBC55822","742851","Present"
-"[2-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[2-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O)N6C=C(C(=O)NC6=O)F)O)O","CDDPETFTMOUCSR-UHFFFAOYSA-N","398532",NA,"PDBC55823","708447","Present"
-"[20-(16-Acetyloxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(12),18-diene-6,2'-oxane]-20-yl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(12),18-diene-6,2'-oxane]-16-yl] acetate","","","","","","","","","","","","","","","","","","","","[20-(16-Acetyloxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(12),18-diene-6,2'-oxane]-20-yl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(","","CC1CCC2(C(C3C(O2)CC4C3(CCC5=C4C(C=C6C5(CCC(C6)OC(=O)C)C)C7C=C8CC(CCC8(C9=C7C2CC3C(C2(CC9)C)C(C2(O3)CCC(CO2)C)C)C)OC(=O)C)C)C)OC1","JAEVYKDIHOIUBG-UHFFFAOYSA-N","261359",NA,"PDBC55824","93352","Present"
-"[3,3'-Bi-5H-imidazo[2,1-c]-1,2,4-triazole]-5,5'-dione, 6,6'-bis(2-cyclopropyl-2-oxoethyl)-","","","","","","","","","","","","","","","","","","","","[3,3'-Bi-5H-imidazo[2,1-c]-1,2,4-triazole]-5,5'-dione, 6,6'-bis(2-cyclopropyl-2-oxoethyl)-","","C1CC1C(=O)CC2=NC3=NN=C(N3C2=O)C4=NN=C5N4C(=O)C(=N5)CC(=O)C6CC6","PMGKQCNQRFUNSS-UHFFFAOYSA-N","362244",NA,"PDBC55825","625848","Present"
-"[3,3'-Bipyridine]-4,4'-diol","","","","","","","","","","","","","","","","","","","","SC-69920","","C1=CNC=C(C1=O)C2=CNC=CC2=O","CYUVDMSKOCUYRV-UHFFFAOYSA-N","363600",NA,"PDBC55826","628595","Present"
-"[3,4,5-Triacetoxy-6-(2,4-dioxo-3-phenyl-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetoxy-6-(2,4-dioxo-3-phenyl-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","SDFPPFRHBARRBF-UHFFFAOYSA-N","368635",NA,"PDBC55827","639748","Present"
-"[3,4,5-Triacetoxy-6-(2,4-dioxopyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetoxy-6-(2,4-dioxopyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C)OC(=O)C","UALIWFYMJMVXDB-UHFFFAOYSA-N","373957",NA,"PDBC55828","650989","Present"
-"[3,4,5-Triacetoxy-6-(2-amino-3,5-dicyano-4-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","Pyridine-3,5-dicarbonitrile, 6-amino- 1-(.beta.-D-glucop...","","CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N)OC(=O)C)OC(=O)C)OC(=O)C","JGVIYIYNZNGBRS-UHFFFAOYSA-N","3005161",NA,"PDBC55829","678063","Present"
-"[3,4,5-Triacetoxy-6-(3-cyano-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(3-cyano-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCCCC3)C=C(C2=O)C#N)OC(=O)C)OC(=O)C)OC(=O)C","MWZNBBRIPGBTNR-UHFFFAOYSA-N","385434",NA,"PDBC55830","676615","Present"
-"[3,4,5-Triacetoxy-6-(3-cyano-2-thioxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(3-cyano-2-sulfanylidene-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCCCC3)C=C(C2=S)C#N)OC(=O)C)OC(=O)C)OC(=O)C","XWZKHPDPRLNVIU-UHFFFAOYSA-N","385433",NA,"PDBC55831","676613","Present"
-"[3,4,5-Triacetoxy-6-(3-cyano-2-thioxo-5,6,7,8-tetrahydroquinolin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC676610///NSC676614","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C=C(C2=S)C#N)OC(=O)C)OC(=O)C)OC(=O)C","WAAMLROLJKIBIZ-UHFFFAOYSA-N","385430",NA,"PDBC55832","676610///676614","Present"
-"[3,4,5-Triacetoxy-6-(3-cyano-2-thioxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(3-cyano-2-sulfanylidene-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCCC3)C=C(C2=S)C#N)OC(=O)C)OC(=O)C)OC(=O)C","HXMIHEPUGIHUHJ-UHFFFAOYSA-N","385431",NA,"PDBC55833","676611","Present"
-"[3,4,5-Triacetoxy-6-(3-cyano-2-thioxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(3-cyano-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC3)C=C(C2=S)C#N)OC(=O)C)OC(=O)C)OC(=O)C","XZBKWPMVJDJJJR-UHFFFAOYSA-N","385432",NA,"PDBC55834","676612","Present"
-"[3,4,5-Triacetoxy-6-(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetoxy-6-(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate","","CC1=CC(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C","ZEHHTKORCZQSBE-UHFFFAOYSA-N","385421",NA,"PDBC55835","676601","Present"
-"[3,4,5-Triacetoxy-6-(3-cyano-4,6-diphenyl-2-sulfanyl-4H-pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(3-cyano-4,6-diphenyl-2-sulfanyl-4H-pyridin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","PLBVEELNKWFCIC-UHFFFAOYSA-N","385420",NA,"PDBC55836","676600","Present"
-"[3,4,5-Triacetoxy-6-(3-phenyl-2,4-dithioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC639737///NSC639741","","CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=S)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","WPXHXTJSLVFUDS-UHFFFAOYSA-N","368629",NA,"PDBC55837","639737///639741","Present"
-"[3,4,5-Triacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC639732///NSC639738","","CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","BZILQTWEGVOAIP-UHFFFAOYSA-N","368624",NA,"PDBC55838","639732///639738","Present"
-"[3,4,5-Triacetoxy-6-(4-oxothiazol-2-yl)sulfanyl-tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC678082///NSC678083","","CC(=O)OCC1C(C(C(C(O1)SC2=NC(=O)CS2)OC(=O)C)OC(=O)C)OC(=O)C","VBCOZGGZAXMRCW-UHFFFAOYSA-N","386311",NA,"PDBC55839","678082///678083","Present"
-"[3,4,5-Triacetoxy-6-(5-bromo-4-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC656253///NSC656258","","CC1=C(C(=O)N(C(=N1)SC)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Br","YQCITFGBXXKSJR-UHFFFAOYSA-N","375918",NA,"PDBC55840","656253///656258","Present"
-"[3,4,5-Triacetoxy-6-(5-cyano-2,3-dimethyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC678051///NSC678056","","CC1=C(N(C(=S)C(=C1)C#N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","XIHHPZAYTJWNPJ-UHFFFAOYSA-N","386293",NA,"PDBC55841","678051///678056","Present"
-"[3,4,5-Triacetoxy-6-(5-cyano-2-methylsulfanyl-4-oxo-6-phenyl-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(5-cyano-2-methylsulfanyl-4-oxo-6-phenylpyrimidin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=O)N=C2SC)C#N)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C","NOWIVCLIYASHAV-UHFFFAOYSA-N","377433",NA,"PDBC55842","658882","Present"
-"[3,4,5-Triacetoxy-6-(5-cyano-3-ethyl-2,4-dimethyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC667540///NSC667542","","CCC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","GINFPTWSKPUPFL-UHFFFAOYSA-N","381207",NA,"PDBC55843","667540///667542","Present"
-"[3,4,5-Triacetoxy-6-(5-cyano-3-ethyl-4-methyl-2-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(5-cyano-3-ethyl-4-methyl-2-phenyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate","","CCC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C3=CC=CC=C3","JSKLVBDEGWHGLG-UHFFFAOYSA-N","381205",NA,"PDBC55844","667537","Present"
-"[3,4,5-Triacetoxy-6-(5-nitro-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetoxy-6-(5-nitro-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C","ZXCJLGKKILPOCK-UHFFFAOYSA-N","373959",NA,"PDBC55845","650991","Present"
-"[3,4,5-Triacetoxy-6-(6,8-dibromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC639734///NSC639740","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(C=C(C=C3Br)Br)C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","HMCZWFGGBJNHJT-UHFFFAOYSA-N","368626",NA,"PDBC55846","639734///639740","Present"
-"[3,4,5-Triacetoxy-6-(6-bromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC639733///NSC639739","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(C=C(C=C3)Br)C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","NAFNBMWGTHRZGT-UHFFFAOYSA-N","368625",NA,"PDBC55847","639733///639739","Present"
-"[3,4,5-Triacetoxy-6-(6-hydroxyhexoxy)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetoxy-6-(6-hydroxyhexoxy)tetrahydropyran-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)OCCCCCCO)OC(=O)C)OC(=O)C)OC(=O)C","YMQPDZJLWURWGM-UHFFFAOYSA-N","393716",NA,"PDBC55848","696234","Present"
-"[3,4,5-Triacetoxy-6-[(2,4-dioxo-1H-quinazolin-3-yl)amino]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetoxy-6-[(2,4-dioxo-1H-quinazolin-3-yl)amino]tetrahydropyran-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)NN2C(=O)C3=CC=CC=C3NC2=O)OC(=O)C)OC(=O)C)OC(=O)C","CJKNCUBLVUSAJM-UHFFFAOYSA-N","391604",NA,"PDBC55849","691088","Present"
-"[3,4,5-Triacetoxy-6-[(2-methoxy-1-methyl-6-oxo-5-propanoyl-pyrimidin-4-yl)amino]oxy-tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(2-methoxy-1-methyl-6-oxo-5-propanoylpyrimidin-4-yl)amino]oxyoxan-2-yl]methyl acetate","","CCC(=O)C1=C(N=C(N(C1=O)C)OC)NOC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","QKXJFHMZKBLHFQ-UHFFFAOYSA-N","364476",NA,"PDBC55850","630808","Present"
-"[3,4,5-Triacetoxy-6-[(2-methylsulfanyl-5-oxo-furo[2,3-d]pyrimidin-4-yl)amino]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(2-methylsulfanyl-5-oxofuro[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)NC2=C3C(=O)COC3=NC(=N2)SC)OC(=O)C)OC(=O)C)OC(=O)C","JGDSZHKZMDPVTA-UHFFFAOYSA-N","371470",NA,"PDBC55851","645743","Present"
-"[3,4,5-Triacetoxy-6-[(4-oxo-2-phenyl-quinazolin-3-yl)carbamothioylamino]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(4-oxo-2-phenylquinazolin-3-yl)carbamothioylamino]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)NC(=S)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","MYCBSHHOAFSLCK-UHFFFAOYSA-N","3005328",NA,"PDBC55852","691090","Present"
-"[3,4,5-Triacetoxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl)amino]oxy-tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxopyrimidin-4-yl)amino]oxyoxan-2-yl]methyl acetate","","CCCC(=O)C1=C(N=C(N(C1=O)C)OC)NOC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","VJIFLAWTZIQOLB-UHFFFAOYSA-N","364478",NA,"PDBC55853","630810","Present"
-"[3,4,5-Triacetoxy-6-[1-cyano-4-(2-thienyl)-2-thioxo-5,6-dihydrobenzo[f]isoquinolin-3-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(1-cyano-2-sulfanylidene-4-thiophen-2-yl-5,6-dihydrobenzo[f]isoquinolin-3-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=C3CCC4=CC=CC=C4C3=C(C2=S)C#N)C5=CC=CS5)OC(=O)C)OC(=O)C)OC(=O)C","RXGHYFCGJKFNMH-UHFFFAOYSA-N","386291",NA,"PDBC55854","678049","Present"
-"[3,4,5-Triacetoxy-6-[2-amino-3,5-dicyano-4-(4-methoxyphenyl)-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC678065///NSC678066","","CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=C(C=C3)OC)C#N)N)OC(=O)C)OC(=O)C)OC(=O)C","FDFMLBCOUKQNGT-UHFFFAOYSA-N","3005863",NA,"PDBC55855","678065///678066","Present"
-"[3,4,5-Triacetoxy-6-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","2,3,4,6-Tetra-O-acetylhexopyranosyl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside","","CC(=O)OCC1C(C(C(C(O1)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","VJUMXLNMLSEYRN-UHFFFAOYSA-N","377195",NA,"PDBC55856","658422","Present"
-"[3,4,5-Triacetoxy-6-[3,5-dicyano-2-hydroxy-4-(4-methoxyphenyl)-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC678088///NSC678090","","CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)S)OC(=O)C)OC(=O)C)OC(=O)C","JXMYHHAVKYSJKE-UHFFFAOYSA-N","386316",NA,"PDBC55857","678088///678090","Present"
-"[3,4,5-Triacetoxy-6-[3-(4-nitrophenyl)-4-oxo-2-thioxo-quinazolin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidenequinazolin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C","IMCLVZVYNASLMC-UHFFFAOYSA-N","368628",NA,"PDBC55858","639736","Present"
-"[3,4,5-Triacetoxy-6-[3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanethioylamino]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanethioylamino]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)NC(=S)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","FXIVWWXOEDQWKQ-UHFFFAOYSA-N","3005330",NA,"PDBC55859","691094","Present"
-"[3,4,5-Triacetoxy-6-[3-[(E)-(4-chlorophenyl)azo]-5-cyano-2,4-dimethyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-[(4-chlorophenyl)diazenyl]-5-cyano-2,4-dimethyl-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)Cl)C)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","HWYDUVYOBCHLGP-UHFFFAOYSA-N","381289",NA,"PDBC55860","667725","Present"
-"[3,4,5-Triacetoxy-6-[3-[(E)-(4-chlorophenyl)azo]-5-cyano-4-methyl-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC667729///NSC667730","","CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","GJARVTKOPNEYGW-UHFFFAOYSA-N","381293",NA,"PDBC55861","667729///667730","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[3-Acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate","","CC1=C(C(C(=C(N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S)C#N)C3=CC=C(C=C3)Cl)C(=O)C","LGOAJNOJGAAEKS-UHFFFAOYSA-N","385423",NA,"PDBC55862","676603","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[3-Acetyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-6-sulfanylidenepyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate","","CC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","VYOCBGNYQDEVBJ-UHFFFAOYSA-N","381220",NA,"PDBC55863","667557","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(1-naphthyl)-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC667562///NSC667564","","CC(=O)C1=C(N(C(=S)C(=C1C2=CC=CC3=CC=CC=C32)C#N)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C5=CC=CC=C5","XSHJHPPJKCOZEJ-UHFFFAOYSA-N","381225",NA,"PDBC55864","667562///667564","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(2-furyl)-2-methyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[3-Acetyl-5-cyano-4-(furan-2-yl)-2-methyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate","","CC1=C(C(C(=C(N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S)C#N)C3=CC=CO3)C(=O)C","IQSPWOYLMXVNLL-UHFFFAOYSA-N","385424",NA,"PDBC55865","676604","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(2-furyl)-2-methyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC667560///NSC667563","","CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=CO3)C(=O)C","DFGKYLMAHIRMKP-UHFFFAOYSA-N","381223",NA,"PDBC55866","667560///667563","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(2-furyl)-2-phenyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[3-Acetyl-5-cyano-4-(furan-2-yl)-2-phenyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate","","CC(=O)C1=C(N(C(=C(C1C2=CC=CO2)C#N)S)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","AAFMDQBCBDIIJN-UHFFFAOYSA-N","385426",NA,"PDBC55867","676606","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC699177///NSC699183","","CC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)OC)O)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","PRJVLTCCKCRNFK-UHFFFAOYSA-N","395020",NA,"PDBC55868","699177///699183","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC699181///NSC699182","","CC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)O)OC)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","YJEIQDOIBKKWFY-UHFFFAOYSA-N","395023",NA,"PDBC55869","699181///699182","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[3-Acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate","","CC1=C(C(C(=C(N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S)C#N)C3=CC=C(C=C3)OC)C(=O)C","GBZRSUBGIAAIIR-UHFFFAOYSA-N","381304",NA,"PDBC55870","667741","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[3-Acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanylidenepyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate","","CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC)C(=O)C","BYWOBGAGUHONLO-UHFFFAOYSA-N","381219",NA,"PDBC55871","667556","Present"
-"[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[3-Acetyl-5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate","","CC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)OC)C#N)S)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","WYVFDWPBTOGGCO-UHFFFAOYSA-N","385425",NA,"PDBC55872","676605","Present"
-"[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-2-thioxo-5,6,7,8-tetrahydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydroquinolin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C(=C(C2=S)C#N)C4=CC=CO4)OC(=O)C)OC(=O)C)OC(=O)C","IEAUJZRVZPBRTJ-UHFFFAOYSA-N","381199",NA,"PDBC55873","667530","Present"
-"[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-2-thioxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC3)C(=C(C2=S)C#N)C4=CC=CO4)OC(=O)C)OC(=O)C)OC(=O)C","DVTUVARBTBDACU-UHFFFAOYSA-N","381282",NA,"PDBC55874","667718","Present"
-"[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-6-(4-methoxyphenyl)-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methoxyphenyl)-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=CO3)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","YCUYRFFOVXZVCZ-UHFFFAOYSA-N","383442",NA,"PDBC55875","671809","Present"
-"[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-6-(p-tolyl)-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=CO4","ITKKNDUCUJZUCK-UHFFFAOYSA-N","383444",NA,"PDBC55876","671811","Present"
-"[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-6-phenyl-2-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","Pyridine-3-carbonitrile, 4-(2-furanyl)- 1-(.beta.-D-gluc...","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CO3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","AGWLLLXICPTGRC-UHFFFAOYSA-N","381302",NA,"PDBC55877","667739","Present"
-"[3,4,5-Triacetoxy-6-[3-cyano-4-(4-methoxyphenyl)-2-thioxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-cyano-4-(4-methoxyphenyl)-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC3)C(=C(C2=S)C#N)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","PPKPYPLEDJYQOA-UHFFFAOYSA-N","381281",NA,"PDBC55878","667717","Present"
-"[3,4,5-Triacetoxy-6-[3-cyano-4-(4-methoxyphenyl)-6-(p-tolyl)-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=C(C=C4)OC","SELLJEIZKGZBTI-UHFFFAOYSA-N","383441",NA,"PDBC55879","671808","Present"
-"[3,4,5-Triacetoxy-6-[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-thioxo-6,8-dihydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC676590///NSC676593","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(C(=O)CC(C3)(C)C)C(=C(C2=S)C#N)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","WSSGXWNHOKWEQA-UHFFFAOYSA-N","385411",NA,"PDBC55880","676590///676593","Present"
-"[3,4,5-Triacetoxy-6-[3-cyano-7,7-dimethyl-5-oxo-4-(p-tolyl)-2-thioxo-6,8-dihydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-cyano-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-2-sulfanylidene-6,8-dihydroquinolin-1-yl]oxan-2-yl]methyl acetate","","CC1=CC=C(C=C1)C2=C(C(=S)N(C3=C2C(=O)CC(C3)(C)C)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","SEJBIIUWMLTVCE-UHFFFAOYSA-N","385413",NA,"PDBC55881","676592","Present"
-"[3,4,5-Triacetoxy-6-[4,5,6-triacetoxy-2-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanylmethyl]tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","1,2,3-Tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-S-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-thiohexopyranose","","CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)OC(=O)C)CSC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","YKKYTLMHVJCDAM-UHFFFAOYSA-N","370226",NA,"PDBC55882","642970","Present"
-"[3,4,5-Triacetoxy-6-[4,5-diacetoxy-2-(acetoxymethyl)-6-(o-tolylsulfanyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(2-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate","","CC1=CC=CC=C1SC2C(C(C(C(O2)COC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","KXYPONNZHZRXAL-UHFFFAOYSA-N","375924",NA,"PDBC55883","656262","Present"
-"[3,4,5-Triacetoxy-6-[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-2-thioxo-6,8-dihydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydroquinolin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(C(=O)CC(C3)(C)C)C(=C(C2=S)C#N)C4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C)OC(=O)C","AQVQSVZZUCRWPY-UHFFFAOYSA-N","385412",NA,"PDBC55884","676591","Present"
-"[3,4,5-Triacetoxy-6-[4-(4-chlorophenyl)-5-cyano-6-oxo-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC686036///Pyrimidine-5-carbonitrile, 1-(2,3,4,6-O-tetraacetyl- .be...","","CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)Cl)C#N)OC(=O)C)OC(=O)C)OC(=O)C","KLVUXXXCQCXMDT-UHFFFAOYSA-N","389664",NA,"PDBC55885","686036///686039","Present"
-"[3,4,5-Triacetoxy-6-[4-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]-5-oxo-3-thioxo-1,2,4-triazin-2-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[4-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]-5-oxo-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=S)N(C(=O)C(=N2)CC3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","GGRYTMHFAXMTQD-UHFFFAOYSA-N","362263",NA,"PDBC55886","625874","Present"
-"[3,4,5-Triacetoxy-6-[4-[2-(dimethylaminomethyl)prop-2-enoyl]phenoxy]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","2-Propen-1-one, 2-[(dimethylamino)methy]-1-(4- .beta.-D-...","","CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)C(=O)C(=C)CN(C)C)OC(=O)C)OC(=O)C)OC(=O)C","CZQYJARXPRSTCI-UHFFFAOYSA-N","336424",NA,"PDBC55887","350629","Present"
-"[3,4,5-Triacetoxy-6-[4-oxo-3-(p-tolyl)-2-thioxo-quinazolin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC639735///NSC639742","","CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=S)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","CPBZCNMRRNNNMB-UHFFFAOYSA-N","368627",NA,"PDBC55888","639735///639742","Present"
-"[3,4,5-Triacetoxy-6-[5-(diethylamino)-4-methyl-triazol-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetoxy-6-[5-(diethylamino)-4-methyl-triazol-1-yl]tetrahydropyran-2-yl]methyl acetate","","CCN(CC)C1=C(N=NN1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","ZNLIRWNOHWVJJA-UHFFFAOYSA-N","366951",NA,"PDBC55889","636113","Present"
-"[3,4,5-Triacetoxy-6-[5-[(2-methoxyphenyl)methyl]-3-phenyl-6-thioxo-1,2,4-triazin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[5-[(2-methoxyphenyl)methyl]-3-phenyl-6-sulfanylidene-1,2,4-triazin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=S)C(=NC(=N2)C3=CC=CC=C3)CC4=CC=CC=C4OC)OC(=O)C)OC(=O)C)OC(=O)C","FGNLENOTGHPLKF-UHFFFAOYSA-N","362262",NA,"PDBC55890","625873","Present"
-"[3,4,5-Triacetoxy-6-[5-cyano-2,4-dimethyl-3-[(E)-p-tolylazo]-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[5-cyano-2,4-dimethyl-3-[(4-methylphenyl)diazenyl]-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","CC1=CC=C(C=C1)N=NC2=C(N(C(=S)C(=C2C)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","HIPFSHCFKBXOCU-UHFFFAOYSA-N","381287",NA,"PDBC55891","667723","Present"
-"[3,4,5-Triacetoxy-6-[5-cyano-3-[(E)-(4-methoxyphenyl)azo]-2,4-dimethyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[5-cyano-3-[(4-methoxyphenyl)diazenyl]-2,4-dimethyl-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)OC)C)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","ZSIXHADSQLESFO-UHFFFAOYSA-N","381288",NA,"PDBC55892","667724","Present"
-"[3,4,5-Triacetoxy-6-[5-cyano-3-[(E)-(4-methoxyphenyl)azo]-4-methyl-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[5-cyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-2-phenyl-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)OC)C3=CC=CC=C3)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","GCTXJHUNAOSBJO-UHFFFAOYSA-N","381292",NA,"PDBC55893","667728","Present"
-"[3,4,5-Triacetoxy-6-[5-cyano-4-(4-methoxyphenyl)-2-methylsulfanyl-6-oxo-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC656254///NSC658778","","CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC)C3=CC=C(C=C3)OC)C#N)OC(=O)C)OC(=O)C)OC(=O)C","VBKWLSVTZUNIFC-UHFFFAOYSA-N","375919",NA,"PDBC55894","656254///658778","Present"
-"[3,4,5-Triacetoxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxo-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC686034///NSC686037","","CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)OC)C#N)OC(=O)C)OC(=O)C)OC(=O)C","CISGLRQWKFPENC-UHFFFAOYSA-N","389662",NA,"PDBC55895","686034///686037","Present"
-"[3,4,5-Triacetoxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxo-2-propylsulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC656259///NSC656260","","CCCSC1=NC(=C(C(=O)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC","YHBFZKLIZFTOIO-UHFFFAOYSA-N","375922",NA,"PDBC55896","656259///656260","Present"
-"[3,4,5-Triacetoxy-6-[5-cyano-4-methyl-2-phenyl-3-[(E)-phenylazo]-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(5-cyano-4-methyl-2-phenyl-3-phenyldiazenyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate","","CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C3=CC=CC=C3)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","WOJQJOZNPUAJTM-UHFFFAOYSA-N","381290",NA,"PDBC55897","667726","Present"
-"[3,4,5-Triacetoxy-6-[5-cyano-6-oxo-4-(p-tolyl)-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC686035///NSC686038","","CC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","FAUSMEYXWLNQGG-UHFFFAOYSA-N","389663",NA,"PDBC55898","686035///686038","Present"
-"[3,4,5-Triacetoxy-6-[5-cyano-6-oxo-4-phenyl-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[5-cyano-6-oxo-4-phenyl-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpyrimidin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4)C#N)OC(=O)C)OC(=O)C)OC(=O)C","DGVSWGNTJTVYIA-UHFFFAOYSA-N","389661",NA,"PDBC55899","686033","Present"
-"[3,4,5-Triacetoxy-6-[6-(4-chlorophenyl)-3-cyano-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","Pyridine-3-carbonitrile, 6-(4-chlorophenyl)- 1-(.beta.-D...///NSC678058","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC=C(C2=S)C#N)C3=CC=C(C=C3)Cl)OC(=O)C)OC(=O)C)OC(=O)C","XHHBYYJANYLRLB-UHFFFAOYSA-N","386296",NA,"PDBC55900","678057///678058","Present"
-"[3,4,5-Triacetoxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C)OC(=O)C","GZINHFZSDFCXSU-UHFFFAOYSA-N","383439",NA,"PDBC55901","671806","Present"
-"[3,4,5-Triacetoxy-6-[[1-methyl-5-[2-[1-methyl-2-methylsulfanyl-6-oxo-4-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]pyrimidin-5-yl]iminoethylideneamino]-2-methylsulfanyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","Pyrimidine-5,6-diamine, N(5),N(5')- (1,2-ethanediylidene...","","CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=N2)SC)C)N=CC=NC3=C(N=C(N(C3=O)C)SC)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","JLEALZGELKWNGZ-UHFFFAOYSA-N","360594",NA,"PDBC55902","622769","Present"
-"[3,4,5-Triacetoxy-6-[[2-methyl-3-(m-tolyl)-4-oxo-quinazolin-6-yl]amino]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[[2-methyl-3-(3-methylphenyl)-4-oxoquinazolin-6-yl]amino]oxan-2-yl]methyl acetate","","CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C=C(C=C3)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","ZOSRWROXFNRLID-UHFFFAOYSA-N","386686",NA,"PDBC55903","679215","Present"
-"[3,4,5-Triacetoxy-6-[[5-(2-aminothiazol-4-yl)-1-methyl-2-methylsulfanyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[[5-(2-amino-1,3-thiazol-4-yl)-1-methyl-2-methylsulfanyl-6-oxopyrimidin-4-yl]amino]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=N2)SC)C)C3=CSC(=N3)N)OC(=O)C)OC(=O)C)OC(=O)C","YTBQQRAVDCRVSX-UHFFFAOYSA-N","371467",NA,"PDBC55904","645740","Present"
-"[3,4,5-Triacetoxy-6-[[5-(2-aminothiazol-4-yl)-2-hydroxy-1-methyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[[5-(2-amino-1,3-thiazol-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidin-6-yl]amino]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=O)N2)C)C3=CSC(=N3)N)OC(=O)C)OC(=O)C)OC(=O)C","QWMIOSVNDMTQHS-UHFFFAOYSA-N","371468",NA,"PDBC55905","645741","Present"
-"[3,4,5-Triacetoxy-6-[[5-(2-aminothiazol-4-yl)-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[[5-(2-amino-1,3-thiazol-4-yl)-2-methoxy-1-methyl-6-oxopyrimidin-4-yl]amino]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=N2)OC)C)C3=CSC(=N3)N)OC(=O)C)OC(=O)C)OC(=O)C","KEVHEBOJYJFAOX-UHFFFAOYSA-N","371466",NA,"PDBC55906","645739","Present"
-"[3,4,5-Triacetyloxy-6-(2,3-dioxoindol-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(2,3-dioxoindol-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)C2=O)OC(=O)C)OC(=O)C)OC(=O)C","RKPWDQYPWYNDFD-UHFFFAOYSA-N","373202",NA,"PDBC55907","649169","Present"
-"[3,4,5-Triacetyloxy-6-(2-amino-3,5-dicyano-4-methyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC678069///NSC678070","","CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","JUYTXQUQJZLUEY-UHFFFAOYSA-N","3743651",NA,"PDBC55908","678069///678070","Present"
-"[3,4,5-Triacetyloxy-6-(2-sulfanylidenepyridin-1-yl)oxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,5-Diacetoxy-2-(acetoxymethyl)-6-[(2-thioxo-1-pyridyl)oxy]tetrahydropyran-4-yl] acetate","","CC(=O)OCC1C(C(C(C(O1)ON2C=CC=CC2=S)OC(=O)C)OC(=O)C)OC(=O)C","OYGSCZAWFQDNRI-UHFFFAOYSA-N","399501",NA,"PDBC55909","710362","Present"
-"[3,4,5-Triacetyloxy-6-(3,5-dicyano-2-oxo-4-phenyl-6-sulfanylpyridin-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","Pyridine-3,5-dicarbonitrile, 1-(.beta.-D-glucopyranosyl)...///NSC678089","","CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=O)C#N)C3=CC=CC=C3)C#N)S)OC(=O)C)OC(=O)C)OC(=O)C","VCLBRSHSHHATBT-UHFFFAOYSA-N","386315",NA,"PDBC55910","678087///678089","Present"
-"[3,4,5-Triacetyloxy-6-(3-cyano-2-oxo-4,6-diphenylpyridin-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC640208///NSC640216","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=O)C#N)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","HTWBZYRZYRIZQI-UHFFFAOYSA-N","368869",NA,"PDBC55911","640208///640216","Present"
-"[3,4,5-Triacetyloxy-6-(3-cyano-4-naphthalen-1-yl-2-sulfanylidene-5,6,7,8-tetrahydroquinolin-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(3-cyano-4-naphthalen-1-yl-2-sulfanylidene-5,6,7,8-tetrahydroquinolin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C(=C(C2=S)C#N)C4=CC=CC5=CC=CC=C54)OC(=O)C)OC(=O)C)OC(=O)C","HKIHQXATHLDJDP-UHFFFAOYSA-N","381196",NA,"PDBC55912","667527","Present"
-"[3,4,5-Triacetyloxy-6-(4-amino-2-oxo-3H-1,5-benzodiazepin-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(4-amino-2-oxo-3H-1,5-benzodiazepin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=O)CC(=NC3=CC=CC=C32)N)OC(=O)C)OC(=O)C)OC(=O)C","LNGACLCKTBDWFR-UHFFFAOYSA-N","400479",NA,"PDBC55913","712245","Present"
-"[3,4,5-Triacetyloxy-6-(5-cyano-3,4-dimethyl-2-phenyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC667538///NSC667539","","CC1=C(C(=S)N(C(=C1C)C2=CC=CC=C2)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","YXWXMQIGLIXEIL-UHFFFAOYSA-N","381206",NA,"PDBC55914","667538///667539","Present"
-"[3,4,5-Triacetyloxy-6-(5-methyl-2,3-dioxoindol-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(5-methyl-2,3-dioxoindol-1-yl)oxan-2-yl]methyl acetate","","CC1=CC2=C(C=C1)N(C(=O)C2=O)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","SJEUBXMROUBUSK-UHFFFAOYSA-N","373131",NA,"PDBC55915","649073","Present"
-"[3,4,5-Triacetyloxy-6-(7,8-dimethoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","4,5-DIHYDRO-7,8-DIMETHOXY-1-(2,3,4,6-TETRA-O-ACETYL-.BET...","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC4=CC(=C(C=C43)OC)OC)C=N2)OC(=O)C)OC(=O)C)OC(=O)C","CZORZRFQLNOLAY-UHFFFAOYSA-N","317776",NA,"PDBC55916","251198","Present"
-"[3,4,5-Triacetyloxy-6-(7-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","4,5-DIHYDRO-7-METHOXY-1-(2,3,4,6-TETRA-O-ACETYL-.BETA.-D...","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC4=C3C=CC(=C4)OC)C=N2)OC(=O)C)OC(=O)C)OC(=O)C","SWJRKNKSOYQLAM-UHFFFAOYSA-N","317775",NA,"PDBC55917","251197","Present"
-"[3,4,5-Triacetyloxy-6-(8-amino-1-methyl-2-methylsulfanyl-6-oxopurin-9-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-(8-amino-1-methyl-2-methylsulfanyl-6-oxopurin-9-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=C(C(=O)N(C(=N3)SC)C)N=C2N)OC(=O)C)OC(=O)C)OC(=O)C","ZVDQVAUVZWLLQF-UHFFFAOYSA-N","360597",NA,"PDBC55918","622772","Present"
-"[3,4,5-Triacetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]oxan-2-yl]methyl acetate","","CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O","NKMHRLWNPZSPGM-UHFFFAOYSA-N","419515",NA,"PDBC55919","115610","Present"
-"[3,4,5-Triacetyloxy-6-[(3Z)-4-amino-3-[(4-chlorophenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(3Z)-4-amino-3-[(4-chlorophenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3N=C(C(=CC4=CC=C(C=C4)Cl)C2=O)N)OC(=O)C)OC(=O)C)OC(=O)C","SCNBKTQYBHFIKC-BKUYFWCQSA-N","5471627",NA,"PDBC55920","712244","Present"
-"[3,4,5-Triacetyloxy-6-[(3Z)-4-amino-3-[(4-methoxyphenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(3Z)-4-amino-3-[(4-methoxyphenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3N=C(C(=CC4=CC=C(C=C4)OC)C2=O)N)OC(=O)C)OC(=O)C)OC(=O)C","DGRVFHVUVWKEBH-HMAPJEAMSA-N","5471626",NA,"PDBC55921","712243","Present"
-"[3,4,5-Triacetyloxy-6-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=CO3)C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C","SHDHJWJYAXAUGD-WQRHYEAKSA-N","5470571",NA,"PDBC55922","703041","Present"
-"[3,4,5-Triacetyloxy-6-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC703037///NSC703040","","CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C","CDNASUWNAKBKCH-NDENLUEZSA-N","5470570",NA,"PDBC55923","703037///703040","Present"
-"[3,4,5-Triacetyloxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC703035///NSC703038","","CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=C(C=C3)OC)C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C","BZHBJVSCLUMKPU-BKUYFWCQSA-N","5470568",NA,"PDBC55924","703035///703038","Present"
-"[3,4,5-Triacetyloxy-6-[(4Z)-4-[(4-methylphenyl)methylidene]-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC703036///NSC703039","","CC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CC=C","DVQIXOUJESFZHW-BKUYFWCQSA-N","5470569",NA,"PDBC55925","703036///703039","Present"
-"[3,4,5-Triacetyloxy-6-[(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC679244///NSC679245","","CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=C(S3)Br)C(=O)N2C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","UJRLMXZYRGWBGL-NDENLUEZSA-N","5468931",NA,"PDBC55926","679244///679245","Present"
-"[3,4,5-Triacetyloxy-6-[(4Z)-4-benzylidene-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(4Z)-4-benzylidene-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=CC=C3)C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C","QEUMUPBWHLXPCN-MOSHPQCFSA-N","5470567",NA,"PDBC55927","703034","Present"
-"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-6-methyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-6-methyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","CC1=C(C2=C(N=C(N=C2OC1=O)OC)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","OQWANWOIVCJPEJ-UHFFFAOYSA-N","363718",NA,"PDBC55928","628878","Present"
-"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)NC2=C3C(=CC(=O)OC3=NC(=N2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","ZGGFPBNHOPPYJT-UHFFFAOYSA-N","363717",NA,"PDBC55929","628877","Present"
-"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methoxy-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methoxy-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","CCC1=C(C2=C(N=C(N=C2OC1=O)OC)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","IMLYSOALXPYGGH-UHFFFAOYSA-N","363721",NA,"PDBC55930","628881","Present"
-"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","CCC1=C(C2=C(N=C(N=C2OC1=O)SC)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","YEBMYVNXWWGAQN-UHFFFAOYSA-N","363722",NA,"PDBC55931","628882","Present"
-"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate","","CC1=C(C2=C(N=C(N=C2OC1=O)SC)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","VHJLDINJHUOQNU-UHFFFAOYSA-N","363719",NA,"PDBC55932","628879","Present"
-"[3,4,5-Triacetyloxy-6-[(E)-2-(azidomethyl)-3-oxobut-1-enoxy]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[(E)-2-(azidomethyl)-3-oxobut-1-enoxy]oxan-2-yl]methyl acetate","","CC(=O)C(=COC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CN=[N+]=[N-]","ODCCKXWHRKTOLQ-VGOFMYFVSA-N","5471355",NA,"PDBC55933","710716","Present"
-"[3,4,5-Triacetyloxy-6-[2-amino-3,5-dicyano-4-(4-methylphenyl)-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[2-amino-3,5-dicyano-4-(4-methylphenyl)-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","CC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","NWOWESBZSPBYHW-UHFFFAOYSA-N","5471623",NA,"PDBC55934","712237","Present"
-"[3,4,5-Triacetyloxy-6-[2-amino-4-(3-chlorophenyl)-3,5-dicyano-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[2-amino-4-(3-chlorophenyl)-3,5-dicyano-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC(=CC=C3)Cl)C#N)N)OC(=O)C)OC(=O)C)OC(=O)C","RHYXCYXVSNNMPY-UHFFFAOYSA-N","5471624",NA,"PDBC55935","712238","Present"
-"[3,4,5-Triacetyloxy-6-[3-(3,3-dichloroprop-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[3-(3,3-dichloroprop-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyoxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)OC2=C(C(=O)C3=CC=CC=C3C2=O)CC=C(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C","YDEPCCXLMFQLMY-UHFFFAOYSA-N","323672",NA,"PDBC55936","286136","Present"
-"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-2-oxo-6-phenylpyridin-1-yl]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC640212///NSC640218","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=O)C#N)C3=CC=CO3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","XURBLYBQYWNXSZ-UHFFFAOYSA-N","368873",NA,"PDBC55937","640212///640218","Present"
-"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methoxyphenyl)-2-oxopyridin-1-yl]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC640214///NSC640220","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=O)C#N)C3=CC=CO3)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","VMGHZVDHKNGKKJ-UHFFFAOYSA-N","368875",NA,"PDBC55938","640214///640220","Present"
-"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-oxopyridin-1-yl]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC640213///NSC640219","","CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=CO4","OJDBOPGTTSDXSZ-UHFFFAOYSA-N","368874",NA,"PDBC55939","640213///640219","Present"
-"[3,4,5-Triacetyloxy-6-[3-cyano-6-(4-methoxyphenyl)-2-oxo-4-phenylpyridin-1-yl]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC640210///NSC640217","","CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=O)C#N)C3=CC=CC=C3)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","XNHRBIJAGRMSSF-UHFFFAOYSA-N","368871",NA,"PDBC55940","640210///640217","Present"
-"[3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-6-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC656255///NSC656256","","CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC)C3=CC=C(C=C3)Cl)C#N)OC(=O)C)OC(=O)C)OC(=O)C","BOHWTYGHKBIHCI-UHFFFAOYSA-N","375920",NA,"PDBC55941","656255///656256","Present"
-"[3,4,5-Triacetyloxy-6-[6-benzyl-3,5-bis(sulfanylidene)-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[6-benzyl-3,5-bis(sulfanylidene)-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C(=S)NC(=S)C(=N2)CC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C","GAJIPQHEERENHD-UHFFFAOYSA-N","5472225",NA,"PDBC55942","716966","Present"
-"[3,4,5-Triacetyloxy-6-[[(9R,10R)-6-(2,4-dinitrophenyl)-2,9,12-trihydroxy-9-methyl-5,14,21-trioxo-5lambda4-selena-6,7-diazapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1,3(11),4(8),12,15,17,19-heptaen-10-yl]oxy]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[[(9R,10R)-6-(2,4-dinitrophenyl)-2,9,12-trihydroxy-9-methyl-5,14,21-trioxo-5lambda4-selena-6,7-diazapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1,3(11),4(8),12,15,17,19-heptaen-","","CC(=O)OCC1C(C(C(C(O1)OC2C3=C(C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)C6=C(C2(C)O)NN([Se]6=O)C7=C(C=C(C=C7)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C","IDAVDGUVLKBBFC-QXPDVQBJSA-N","6712776",NA,"PDBC55943","710715","Present"
-"[3,4,5-Triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-ac...","","CC(=O)OCC1C(C(C(C(O1)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C)OC(=O)C","AOUKENUMKWIYHM-UHFFFAOYSA-N","316858",NA,"PDBC55944","245432","Present"
-"[3,4,5-Triacetyloxy-6-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Triacetyloxy-6-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate","","CC1=CC=C(C=C1)C2=CN=C(S2)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","LXUJURWYKMGNEE-UHFFFAOYSA-N","358200",NA,"PDBC55945","618080","Present"
-"[3,4,5-Tribenzoyloxy-6-[[5-(p-tolyl)thiazol-2-yl]amino]tetrahydropyran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[3,4,5-Tribenzoyloxy-6-[[5-(p-tolyl)thiazol-2-yl]amino]tetrahydropyran-2-yl]methyl benzoate","","CC1=CC=C(C=C1)C2=CN=C(S2)NC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7","ROPMRFCVNXMQDG-UHFFFAOYSA-N","381920",NA,"PDBC55946","669172","Present"
-"[3,4,5-Trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate","","","","","","","","","","","","","","","","","","","","[3,4,5-Trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate","","COC1=C(C=CC(=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O","DEUNVKAEJOZXBQ-UHFFFAOYSA-N","385552",NA,"PDBC55947","676820","Present"
-"[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5R,6S,9S,12R,13S,14S,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-1-(hydroxymethyl)-5,6,12,13,19-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate","","","","","","","","","","","","","","","","","","","","[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5R,6S,9S,12R,13S,14S,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-1-(hydroxymethyl)-5,6,12,13,19-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C6C5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)CO)O)C)C)C2C1C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O","GEPCFINLGINXJO-LJFZIKNYSA-N","5468818",NA,"PDBC55948","676830","Present"
-"[3,4,5-Trihydroxy-6-[[(1S,2R,10R,14R)-2,6,6,10-tetramethyl-7-oxo-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Trihydroxy-6-[[(1S,2R,10R,14R)-2,6,6,10-tetramethyl-7-oxo-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxan-2-yl]methyl acetate","","CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(=O)C5(C)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","SZQXSZSHYSNINW-JYPWSJOUSA-N","11970083",NA,"PDBC55949","664908","Present"
-"[3,4,5-Trihydroxy-6-[[(2R,10S)-7-hydroxy-2,6,6,10-tetramethyl-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,5-Trihydroxy-6-[[(2R,10S)-7-hydroxy-2,6,6,10-tetramethyl-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxan-2-yl]methyl acetate","","CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)O)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","NEKPJXXSWRCQTL-BKTVKRBBSA-N","11970074",NA,"PDBC55950","663004","Present"
-"[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] 4,4-dimethylnonanoate","","","","","","","","","","","","","","","","","","","","[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] 4,4-dimethylnonanoate","","CCCCCC(C)(C)CCC(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O","BVDPJYZAHQRDIY-UHFFFAOYSA-N","404590",NA,"PDBC55951","720946","Present"
-"[3,4,6-Triacetoxy-5-(cyanoamino)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","2-Cyanamido-2-deoxy-1,3,4,6-tetra-O-acetyl-.beta.-D-gluc...","","CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC#N)OC(=O)C)OC(=O)C","ZKRFZPUNBWXYPJ-UHFFFAOYSA-N","374110",NA,"PDBC55952","651414","Present"
-"[3,4,6-Triacetoxy-5-[[5-(p-tolyl)thiazol-2-yl]amino]tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4,6-Triacetoxy-5-[[5-(p-tolyl)thiazol-2-yl]amino]tetrahydropyran-2-yl]methyl acetate","","CC1=CC=C(C=C1)C2=CN=C(S2)NC3C(C(C(OC3OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C","BPFBUDWVWDTPFY-UHFFFAOYSA-N","381923",NA,"PDBC55953","669174","Present"
-"[3,4-Di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate","","","","","","","","","","","","","","","","","","","","9H-Purine-6-thiol, 9-.beta.-D-ribofuranosyl-, 2',3',5'-t...","","CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCC)OC(=O)CCC","BHPPLUZZMFOJAN-UHFFFAOYSA-N","4019652",NA,"PDBC55954","76952","Present"
-"[3,4-Diacetoxy-5-(2,4-dioxo-4a,6,7,8,9,10a-hexahydrobenzo[g]quinazolin-1-yl)tetrahydrofuran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-5-(2,4-dioxo-4a,6,7,8,9,10a-hexahydrobenzo[g]quinazolin-1-yl)oxolan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(O1)N2C3C=C4CCCCC4=CC3C(=O)NC2=O)OC(=O)C)OC(=O)C","XPDDKNZTDVIEIA-UHFFFAOYSA-N","393455",NA,"PDBC55955","695363","Present"
-"[3,4-Diacetoxy-5-(6-bromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydrofuran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-5-(6-bromo-4-oxo-3-phenyl-2-sulfanylidenequinazolin-1-yl)oxolan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(O1)N2C3=C(C=C(C=C3)Br)C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C","HMTPVULSMIRKKZ-UHFFFAOYSA-N","368633",NA,"PDBC55956","639746","Present"
-"[3,4-Diacetoxy-5-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)tetrahydrofuran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetoxy-5-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)tetrahydrofuran-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(O1)N2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C)OC(=O)C)OC(=O)C","WMKAROSJJRFIGV-UHFFFAOYSA-N","384177",NA,"PDBC55957","673507","Present"
-"[3,4-Diacetoxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C","UERCMAQQQGMCHL-UHFFFAOYSA-N","368306",NA,"PDBC55958","638854","Present"
-"[3,4-Diacetoxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-tetrahydropyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC642908///NSC642909","","CC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C","BECQDORDVUUICT-UHFFFAOYSA-N","370165",NA,"PDBC55959","642908///642909","Present"
-"[3,4-Diacetoxy-6-(1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetoxy-6-(1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyran-2-yl]methyl acetate","","CC(=O)OCC1C(C(C=C(O1)C2=NC3=CC=CC=C3S2)OC(=O)C)OC(=O)C","IYLGMZMTCUIEIG-UHFFFAOYSA-N","385630",NA,"PDBC55960","676976","Present"
-"[3,4-Diacetyloxy-5-(2,6-diiodopurin-9-yl)oxolan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-5-(2,6-diiodopurin-9-yl)oxolan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3I)I)OC(=O)C)OC(=O)C","APPPJARIZVNFFO-UHFFFAOYSA-N","342614",NA,"PDBC55961","379746","Present"
-"[3,4-Diacetyloxy-5-(2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-5-(2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(O1)N2C=CC=NC2=O)OC(=O)C)OC(=O)C","GZIISKHKBQTYKY-UHFFFAOYSA-N","336827",NA,"PDBC55962","352296","Present"
-"[3,4-Diacetyloxy-5-(5-amino-4-carbamothioylimidazol-1-yl)oxolan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-5-(5-amino-4-carbamothioylimidazol-1-yl)oxolan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(O1)N2C=NC(=C2N)C(=S)N)OC(=O)C)OC(=O)C","VNARSZSQAHLTMW-UHFFFAOYSA-N","3750196",NA,"PDBC55963","608910","Present"
-"[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(O1)N2C3=C(C=CC(=C3)[N+](=O)[O-])C(=C2O)N=NC(=S)N)OC(=O)C)OC(=O)C","VGPBERPSAYQYDW-UHFFFAOYSA-N","4402219",NA,"PDBC55964","649175","Present"
-"[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl hexadecanoate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl hexadecanoate","","CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C3=C(C=CC(=C3)[N+](=O)[O-])C(=C2O)N=NC(=S)N)OC(=O)C)OC(=O)C","YDFDDGVAVHZFGY-UHFFFAOYSA-N","3847618",NA,"PDBC55965","649052","Present"
-"[3,4-Diacetyloxy-5-amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-5-amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)C)OC(=O)C","RIOXASLXDGZHON-UHFFFAOYSA-N","363215",NA,"PDBC55966","627906","Present"
-"[3,4-Diacetyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C","DAQKGOFNCUFNOD-UHFFFAOYSA-N","363214",NA,"PDBC55967","627905","Present"
-"[3,4-Diacetyloxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-pyran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3,4-Diacetyloxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-pyran-2-yl]methyl acetate","","CC1=NN=C(O1)C2=CC(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C","GKEPIZUYPXLGHT-UHFFFAOYSA-N","385631",NA,"PDBC55968","676977","Present"
-"[3,4-Dibenzoyloxy-5-(2H-tetrazol-5-yl)tetrahydrofuran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","1,4-Anhydro-2,3,5-tri-O-benzoyl-1-(2H-tetraazol-5-yl)pentitol","","C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C3=NNN=N3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5","LYFJYZSVRFEBQB-UHFFFAOYSA-N","389373",NA,"PDBC55969","685419","Present"
-"[3,4-Dibenzoyloxy-5-(3-cyano-4-hydroxy-pyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[3,4-Dibenzoyloxy-5-(3-cyano-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl benzoate","","C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C4=C(C(=N3)C#N)C(=O)NC=N4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","HVJIZKAPCMQVIJ-UHFFFAOYSA-N","135429918",NA,"PDBC55970","605471","Present"
-"[3,4-Dibenzoyloxy-5-(7-cyanoimidazo[1,2-b]pyrazol-1-yl)tetrahydrofuran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[3,4-Dibenzoyloxy-5-(7-cyanoimidazo[1,2-b]pyrazol-1-yl)tetrahydrofuran-2-yl]methyl benzoate","","C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CN4C3=C(C=N4)C#N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","UAJUKYWXZLZMBD-UHFFFAOYSA-N","354533",NA,"PDBC55971","606537","Present"
-"[3,4-Dibenzoyloxy-5-[(4Z)-4-benzylidene-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxolan-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[3,4-Dibenzoyloxy-5-[(4Z)-4-benzylidene-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxolan-2-yl]methyl benzoate","","C=CCN1C(=O)C(=CC2=CC=CC=C2)N=C1SC3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","NSTYUVSZVHLBSQ-KRUMMXJUSA-N","5470572",NA,"PDBC55972","703042","Present"
-"[3,4-Dibenzoyloxy-5-[(4Z)-5-oxo-1-prop-2-enyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxolan-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[3,4-Dibenzoyloxy-5-[(4Z)-5-oxo-1-prop-2-enyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxolan-2-yl]methyl benzoate","","C=CCN1C(=O)C(=CC2=CC=CS2)N=C1SC3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","ISLVLZXEYDNZDI-SLMZUGIISA-N","5470573",NA,"PDBC55973","703043","Present"
-"[3,4-Dibenzoyloxy-5-[4-(1-naphthyl)-3-[[5-(3-pyridyl)tetrazol-2-yl]methyl]-5-thioxo-1,2,4-triazol-1-yl]tetrahydrofuran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[3,4-Dibenzoyloxy-5-[4-naphthalen-1-yl-3-[(5-pyridin-3-yltetrazol-2-yl)methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]oxolan-2-yl]methyl benzoate","","C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C(=S)N(C(=N3)CN4N=C(N=N4)C5=CN=CC=C5)C6=CC=CC7=CC=CC=C76)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9","CZWOAZSOZKZUGK-UHFFFAOYSA-N","390493",NA,"PDBC55974","687861","Present"
-"[3,4-Dibenzoyloxy-5-[4-(4-methoxyphenyl)-3-[[5-(3-pyridyl)tetrazol-2-yl]methyl]-5-thioxo-1,2,4-triazol-1-yl]tetrahydrofuran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[3,4-Dibenzoyloxy-5-[4-(4-methoxyphenyl)-3-[(5-pyridin-3-yltetrazol-2-yl)methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]oxolan-2-yl]methyl benzoate","","COC1=CC=C(C=C1)N2C(=NN(C2=S)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)CN7N=C(N=N7)C8=CN=CC=C8","UEIPEKPIGSRPKA-UHFFFAOYSA-N","390491",NA,"PDBC55975","687859","Present"
-"[3,4-Dibenzoyloxy-5-[4-(p-tolyl)-3-[[5-(3-pyridyl)tetrazol-2-yl]methyl]-5-thioxo-1,2,4-triazol-1-yl]tetrahydrofuran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[3,4-Dibenzoyloxy-5-[4-(4-methylphenyl)-3-[(5-pyridin-3-yltetrazol-2-yl)methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]oxolan-2-yl]methyl benzoate","","CC1=CC=C(C=C1)N2C(=NN(C2=S)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)CN7N=C(N=N7)C8=CN=CC=C8","DLFMPJQKQONLOT-UHFFFAOYSA-N","390490",NA,"PDBC55976","687858","Present"
-"[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid","","","","","","","","","","","","","","","","","","","","NSC706064///NSC706065","","CCOP(=O)(CC1C(C(C(O1)CO)O)O)O","KEPMJNLETNXSHW-UHFFFAOYSA-N","397687",NA,"PDBC55977","706064///706065","Present"
-"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)F)O)O","BRVPZZGFLZGOIS-UHFFFAOYSA-N","396086",NA,"PDBC55978","701598","Present"
-"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O)O)O","DFENCZAYDXXGMQ-UHFFFAOYSA-N","396085",NA,"PDBC55979","701597","Present"
-"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O)O)O","WDHQBQJQPYACSM-UHFFFAOYSA-N","392613",NA,"PDBC55980","693169","Present"
-"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3CCC(O3)N4C=NC5=C4N=CNC5=O)O)O","GWGVQBGXUQNYOA-UHFFFAOYSA-N","135448038",NA,"PDBC55981","698682","Present"
-"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=NC4=O)NCCCCCCCCCCCCCCCCCC)F)O)O)O","SKBCFNRPBCUPCB-UHFFFAOYSA-N","394831",NA,"PDBC55982","698683","Present"
-"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)O","WACWVKZNIDXFKL-UHFFFAOYSA-N","390209",NA,"PDBC55983","687366","Present"
-"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hexadecyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hexadecyl hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCCCCCCCCCCCCCCCC)O)O","WJXFJCZWOGVTDX-UHFFFAOYSA-N","390207",NA,"PDBC55984","687364","Present"
-"[3,4-Dihydroxy-5-[4-[[(Z)-octadec-9-enyl]amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3,4-Dihydroxy-5-[4-[[(Z)-octadec-9-enyl]amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate","","CCCCCCCCC=CCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)F)O)O","MRKONKFVAVDXSZ-KTKRTIGZSA-N","5468967",NA,"PDBC55985","680417","Present"
-"[3,4-Dioctadecoxybutyl(phenoxy)phosphoryl]methylphosphonic acid","","","","","","","","","","","","","","","","","","","","[3,4-Dioctadecoxybutyl(phenoxy)phosphoryl]methylphosphonic acid","","CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(CP(=O)(O)O)OC1=CC=CC=C1)OCCCCCCCCCCCCCCCCCC","MJKCLHDVWPCEHU-UHFFFAOYSA-N","360935",NA,"PDBC55986","623647","Present"
-"[3,5-Bis(2,4-dimethylphenyl)-4-(2-methoxyacetyl)oxyphenyl] 2-methoxyacetate","","","","","","","","","","","","","","","","","","","","[3,5-Bis(2,4-dimethylphenyl)-4-(2-methoxyacetyl)oxyphenyl] 2-methoxyacetate","","CC1=CC(=C(C=C1)C2=CC(=CC(=C2OC(=O)COC)C3=C(C=C(C=C3)C)C)OC(=O)COC)C","BMWURCBFBVQLJI-UHFFFAOYSA-N","292969",NA,"PDBC55987","159242","Present"
-"[3,5-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-(2-bromophenyl)methanone","","","","","","","","","","","","","","","","","","","","3,5-bis(4-hydroxy-3-methoxystyryl)-1H-pyrazole-1-(2-brom...","","COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)C3=CC=CC=C3Br)C=CC4=CC(=C(C=C4)O)OC)O","MMEOKZUCEVHQTD-MKICQXMISA-N","155814475",NA,"PDBC55988","757928","Present"
-"[3-(1,3-Benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone","","","","","","","","","","","","","","","","","","","","[3-(1,3-Benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone","","C1C(=NN(C1(C2=CC(=C(C=C2Cl)Cl)F)O)C(=O)C3=CN=CC=C3)C4=CC5=C(C=C4)OCO5","YMEYAESYAHIGRC-UHFFFAOYSA-N","401998",NA,"PDBC55989","715687","Present"
-"[3-(2,2-Dimethylpropyl)-1,4-dioxonaphthalen-2-yl] acetate","","","","","","","","","","","","","","","","","","","","3-(2,2-Dimethylpropyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate","","CC(=O)OC1=C(C(=O)C2=CC=CC=C2C1=O)CC(C)(C)C","BWXAYMFCRNQSTJ-UHFFFAOYSA-N","265896",NA,"PDBC55990","102537","Present"
-"[3-(2,4-Dichlorobenzoyl)-2-sulfanylideneimidazolidin-1-yl]-(2,4-dichlorophenyl)methanone","","","","","","","","","","","","","","","","","","","","[3-(2,4-Dichlorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(2,4-dichlorophenyl)methanone","","C1CN(C(=S)N1C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)C3=C(C=C(C=C3)Cl)Cl","HOLJMPPVGJCBIA-UHFFFAOYSA-N","396754",NA,"PDBC55991","703464","Present"
-"[3-(2,6-Dichlorophenyl)isoxazol-5-yl][bis(methylthio)]acetic acid","","","","","","","","","","","","","","","","","","","","[3-(2,6-Dichlorophenyl)isoxazol-5-yl][bis(methylthio)]acetic acid","","CSC(C1=CC(=NO1)C2=C(C=CC=C2Cl)Cl)(C(=O)O)SC","USGLNBBXXIBSBU-UHFFFAOYSA-N","355656",NA,"PDBC55992","609761","Present"
-"[3-(3,4-Dichlorobenzoyl)-2-sulfanylideneimidazolidin-1-yl]-(3,4-dichlorophenyl)methanone","","","","","","","","","","","","","","","","","","","","[3-(3,4-Dichlorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(3,4-dichlorophenyl)methanone","","C1CN(C(=S)N1C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC(=C(C=C3)Cl)Cl","OKNVHTYKIMVAAR-UHFFFAOYSA-N","396755",NA,"PDBC55993","703465","Present"
-"[3-(3,4-Dichlorophenyl)-2-(ethylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-ethylcarbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, ethyl-, [5-(3,4-dichlorophenyl)-2,3-dihyd...","","CCNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NCC)C3=CC(=C(C=C3)Cl)Cl","HPZPIYUIZRBRLO-UHFFFAOYSA-N","320365",NA,"PDBC55994","267700","Present"
-"[3-(3,4-Dichlorophenyl)-2-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propylcarbamate","","","","","","","","","","","","","","","","","","","","Carbamic acid, propyl-, [5-(3,4-dichlorophenyl)-2,3-dihy...","","CCCNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NCCC)C3=CC(=C(C=C3)Cl)Cl","WFDVKJNRLURTDB-UHFFFAOYSA-N","322174",NA,"PDBC55995","278213","Present"
-"[3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro...","","COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C=C4)OC)OC","JEYZDIAWPWWMSA-UHFFFAOYSA-N","60147773",NA,"PDBC55996","752397","Present"
-"[3-(3,5-Dichlorobenzoyl)-2-sulfanylideneimidazolidin-1-yl]-(3,5-dichlorophenyl)methanone","","","","","","","","","","","","","","","","","","","","[3-(3,5-Dichlorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(3,5-dichlorophenyl)methanone","","C1CN(C(=S)N1C(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)C3=CC(=CC(=C3)Cl)Cl","JNQNRDNIVWVCBI-UHFFFAOYSA-N","396756",NA,"PDBC55997","703466","Present"
-"[3-(3-Hydroxy-4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[3-(3-Hydroxy-4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone","","COC1=C(C=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)O","ZQDIKFKVJMAEMW-UHFFFAOYSA-N","45029128",NA,"PDBC55998","745487","Present"
-"[3-(4-Chloro-phenyl)-3-(4-trifluoromethyl-phenyl)-amino-ally lidene]-(4-trifluoromethyl-phenyl)-amine","","","","","","","","","","","","","","","","","","","","[3-(4-Chloro-phenyl)-3-(4-trifluoromethyl-phenyl)-amino-...","","C1=CC(=CC=C1C(=CC=NC2=CC=C(C=C2)C(F)(F)F)NC3=CC=C(C=C3)C(F)(F)F)Cl","HMTZIDZHYMGKOJ-ASAAZIEHSA-N","5473092",NA,"PDBC55999","723649","Present"
-"[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-acetonitrile","","","","","","","","","","","","","","","","","","","","[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-acetonitrile","","C1=CC(=CC=C1C(=O)C=CNCC#N)Cl","SREQUKUKPHWDDP-ALCCZGGFSA-N","24203420",NA,"PDBC56000","727955","Present"
-"[3-(4-Chloro-phenyl)-3-p-tolylamino-allylidene]-p-tolylamine","","","","","","","","","","","","","","","","","","","","[3-(4-Chloro-phenyl)-3-p-tolylamino-allylidene]-p-tolyla...","","CC1=CC=C(C=C1)NC(=CC=NC2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl","WSLDQHWWWHAYOU-QZQGXLDPSA-N","5473315",NA,"PDBC56001","725051","Present"
-"[3-(4-Chlorobenzoyl)oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-chlorobenzoate","","","","","","","","","","","","","","","","","","","","[3-(4-Chlorobenzoyl)oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-chlorobenzoate","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl","ZAKKKLNPSKOUDL-UHFFFAOYSA-N","357468",NA,"PDBC56002","616353","Present"
-"[3-(4-Chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone","","","","","","","","","","","","","","","","","","","","[3-(4-Chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone","","C1C(=NN(C1(C2=CC(=C(C=C2Cl)Cl)F)O)C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)Cl","IWFBROTVONKHAK-UHFFFAOYSA-N","401997",NA,"PDBC56003","715686","Present"
-"[3-(4-Ethoxycarbonyloxy-3,5-dimethoxybenzoyl)-2,6-dimethoxyphenyl] 2-chloroacetate","","","","","","","","","","","","","","","","","","","","[3-(4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl)-2,6-dimet...","","CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)C2=C(C(=C(C=C2)OC)OC(=O)CCl)OC)OC","SGUJPJVHVVWMQT-UHFFFAOYSA-N","155809217",NA,"PDBC56004","797552","Present"
-"[3-(4-Ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)naphthalen-2-yl] benzoate","","","","","","","","","","","","","","","","","","","","1,4-Dihydro-3-(3-benzoyloxy-2-naphthyl)-4-ethyl-5H-1,2,4...","","CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2OC(=O)C4=CC=CC=C4","MNNWUVXUCMICDW-UHFFFAOYSA-N","10981661",NA,"PDBC56005","729056","Present"
-"[3-(4-Methoxybenzoyl)oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] 4-methoxybenzoate","","","","","","","","","","","","","","","","","","","","[3-(4-Methoxybenzoyl)oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] 4-methoxybenzoate","","CC1C(C(C=CO1)OC(=O)C2=CC=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)OC","OEHLTPIDZCHVKH-UHFFFAOYSA-N","359637",NA,"PDBC56006","620696","Present"
-"[3-(4-Methoxyphenyl)-2-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[3-(4-Methoxyphenyl)-2-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OC)COS(=O)(=O)C3=CC=C(C=C3)C","GOHNYWAEPAOQDB-UHFFFAOYSA-N","394212",NA,"PDBC56007","697494","Present"
-"[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate","","","","","","","","","","","","","","","","","","","","S-[3-(4-Methoxy-phneyl)-3-oxo-prop-1-en-1-yl]-S'-methyl ...","","COC1=CC=C(C=C1)C(=O)C=CSC(=NC#N)SC","VFJOWVMRXRBZPA-DPZRFJKGSA-N","7004070",NA,"PDBC56008","723917","Present"
-"[3-(4-Methylphenyl)sulfonylimidazol-4-yl]methanol","","","","","","","","","","","","","","","","","","","","XPYGFPAXOSJDKI-UHFFFAOYSA-N","","CC1=CC=C(C=C1)S(=O)(=O)N2C=NC=C2CO","XPYGFPAXOSJDKI-UHFFFAOYSA-N","382151",NA,"PDBC56009","669597","Present"
-"[3-(6-Aminopurin-9-yl)cyclopentyl]methyl sulfamate","","","","","","","","","","","","","","","","","","","","NSC664889","","C1CC(CC1COS(=O)(=O)N)N2C=NC3=C(N=CN=C32)N","NDRHVTJVAGDBKF-UHFFFAOYSA-N","379797",NA,"PDBC56010","664889","Present"
-"[3-(7-Hydroxy-2-oxochromen-4-yl)-2-oxo-5H-pyrano[3,2-c]chromen-5-yl] acetate","","","","","","","","","","","","","","","","","","","","2,5-dihydro-3-(7-hydroxy-2-oxo-2H-chromen-4-yl)-2-oxopyr...","","CC(=O)OC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)C4=CC(=O)OC5=C4C=CC(=C5)O","XTOMUIRLTALPJL-UHFFFAOYSA-N","45028497",NA,"PDBC56011","742948","Present"
-"[3-(Acetamidocarbamoyl)-1-(4-chlorophenyl)pyrazol-4-yl] acetate","","","","","","","","","","","","","","","","","","","","[3-(Acetamidocarbamoyl)-1-(4-chlorophenyl)pyrazol-4-yl] acetate","","CC(=O)NNC(=O)C1=NN(C=C1OC(=O)C)C2=CC=C(C=C2)Cl","MPJIEKGYLDJUBW-UHFFFAOYSA-N","406099",NA,"PDBC56012","724042","Present"
-"[3-(Acetyloxymethyl)-2,4,4-trimethylcyclohex-2-en-1-yl] (3S)-2-acetyloxy-3-benzamido-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","[3-(Acetyloxymethyl)-2,4,4-trimethylcyclohex-2-en-1-yl] (3S)-2-acetyloxy-3-benzamido-3-phenylpropanoate","","CC1=C(C(CCC1OC(=O)C(C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)OC(=O)C)(C)C)COC(=O)C","CIXFLMHXBVCNNA-QLLQDVQFSA-N","377428",NA,"PDBC56013","658871","Present"
-"[3-(Acridin-9-ylamino)-5-aminophenyl]methanol;hydrochloride","","","","","","","","","","","","","","","","","","","","[cl-].nc1cc(co)cc(nc2c3ccccc3nc4ccccc24)c1","","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)N)CO.Cl","GLOVSKKKPJOWKS-UHFFFAOYSA-N","380481",NA,"PDBC56014","666097","Present"
-"[3-(Benzo[b]phosphindol-5-ylmethyl)oxetan-3-yl]methyl-bis(m-tolylmethyl)phosphane","","","","","","","","","","","","","","","","","","","","[3-(Benzo[b]phosphindol-5-ylmethyl)oxetan-3-yl]methyl-bis(m-tolylmethyl)phosphane","","CC1=CC(=CC=C1)CP(CC2=CC=CC(=C2)C)CC3(COC3)CP4C5=CC=CC=C5C6=CC=CC=C64","NCFUYQICOXAVOK-UHFFFAOYSA-N","391096",NA,"PDBC56015","689714","Present"
-"[3-(Chloromethyl)-2,3-dihydroindol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[3-(Chloromethyl)indolin-1-yl]-(5,6,7-trimethoxy-1h-indol-2-yl)methanone","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=CC=CC=C43)CCl)OC)OC","AQUVDGWNYWDJAJ-UHFFFAOYSA-N","393954",NA,"PDBC56016","696990","Present"
-"[3-(Chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[3-(Chloromethyl)-6-nitro-2,3-dihydro-1h-indol-1-yl](5,6,7-trimethoxy-1h-indol-2-yl)methanone","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl)OC)OC","AUXOUNCEXATLHW-UHFFFAOYSA-N","387911",NA,"PDBC56017","682144","Present"
-"[3-(Dimethylamino)-2-hydroxy-4-oxo-cyclobut-2-en-1-ylidene]-dimethyl-ammonium","","","","","","","","","","","","","","","","","","","","2-(Dimethylamino)-4-(dimethyliminio)-3-oxocyclobut-1-en-1-olate","","CN(C)C1=C(C(=[N+](C)C)C1=O)[O-]","YNLZGALCALRTFU-UHFFFAOYSA-N","360508",NA,"PDBC56018","622644","Present"
-"[3-(Dimethylamino)phenyl] N-(2-chloroethyl)carbamate;hydrochloride","","","","","","","","","","","","","","","","","","","","[3-(Dimethylamino)phenyl] N-(2-chloroethyl)carbamate;hydrochloride","","CN(C)C1=CC(=CC=C1)OC(=O)NCCCl.Cl","VJNJAEDRUUUHHM-UHFFFAOYSA-N","360089",NA,"PDBC56019","621941","Present"
-"[3-(Ethoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide","","","","","","","","","","","","","","","","","","","","[3-(Ethoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide","","CCOCN1COCN=C1NC#N","OIJFDMIFPSAOCG-UHFFFAOYSA-N","370384",NA,"PDBC56020","643476","Present"
-"[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]-(furan-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[3-(Furan-2-carbonyl)-2-thioxo-imidazolidin-1-yl]-(2-furyl)methanone","","C1CN(C(=S)N1C(=O)C2=CC=CO2)C(=O)C3=CC=CO3","NMKBLVSFBWDIQV-UHFFFAOYSA-N","396757",NA,"PDBC56021","703467","Present"
-"[3-(Furan-2-yl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[3-(Furan-2-yl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone","","COC1=CC(=CC(=C1OC)OC)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CO4","RLYCUMIJMBHPQE-UHFFFAOYSA-N","45028994",NA,"PDBC56022","745097","Present"
-"[3-(Hydroxymethyl)-1-methyl-4,5-dihydrobenzo[g]indol-2-yl]methyl N-propan-2-ylcarbamate","","","","","","","","","","","","","","","","","","","","[3-(Hydroxymethyl)-1-methyl-4,5-dihydro-1H-benzo[g]indol-2-yl]methyl propan-2-ylcarbamate","","CC(C)NC(=O)OCC1=C(C2=C(N1C)C3=CC=CC=C3CC2)CO","JQHVHDZJPQCGLS-UHFFFAOYSA-N","362967",NA,"PDBC56023","627458","Present"
-"[3-(Hydroxymethyl)-7-methoxy-1-methyl-4,5-dihydrobenzo[g]indol-2-yl]methyl N-propan-2-ylcarbamate","","","","","","","","","","","","","","","","","","","","[3-(Hydroxymethyl)-7-methoxy-1-methyl-4,5-dihydro-1H-benzo[g]indol-2-yl]methyl propan-2-ylcarbamate","","CC(C)NC(=O)OCC1=C(C2=C(N1C)C3=C(CC2)C=C(C=C3)OC)CO","DYQAIVYRROWJFF-UHFFFAOYSA-N","362968",NA,"PDBC56024","627459","Present"
-"[3-(Methoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide","","","","","","","","","","","","","","","","","","","","[3-(Methoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide","","COCN1COCN=C1NC#N","DMOPBLPQKDXWJG-UHFFFAOYSA-N","370381",NA,"PDBC56025","643472","Present"
-"[3-(Propoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide","","","","","","","","","","","","","","","","","","","","[3-(Propoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide","","CCCOCN1COCN=C1NC#N","YOAVKRJFXCEBEA-UHFFFAOYSA-N","370382",NA,"PDBC56026","643473","Present"
-"[3-Acetoxy-4,5-dibenzoyloxy-6-[[5-(4-bromophenyl)thiazol-2-yl]amino]tetrahydropyran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[3-Acetyloxy-4,5-dibenzoyloxy-6-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl benzoate","","CC(=O)OC1C(OC(C(C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)NC4=NC=C(S4)C5=CC=C(C=C5)Br)COC(=O)C6=CC=CC=C6","UPHQROQYAQMZKO-UHFFFAOYSA-N","381919",NA,"PDBC56027","669171","Present"
-"[3-Acetoxy-4-bromo-5-(2,4-dioxothieno[3,2-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3-Acetoxy-4-bromo-5-(2,4-dioxothieno[3,2-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate","","CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)NC2=O)SC=C3)Br)OC(=O)C","LXXCGGVRGQIDBS-UHFFFAOYSA-N","385452",NA,"PDBC56028","676690","Present"
-"[3-Acetoxy-5-(2,4-dioxo-4a,6,7,8,9,10a-hexahydrobenzo[g]quinazolin-1-yl)tetrahydrofuran-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[3-Acetyloxy-5-(2,4-dioxo-4a,6,7,8,9,10a-hexahydrobenzo[g]quinazolin-1-yl)oxolan-2-yl]methyl acetate","","CC(=O)OCC1C(CC(O1)N2C3C=C4CCCCC4=CC3C(=O)NC2=O)OC(=O)C","CXPYYHWRPPCPSZ-UHFFFAOYSA-N","393457",NA,"PDBC56029","695365","Present"
-"[3-Acetyloxy-2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-2-methylpropyl] acetate","","","","","","","","","","","","","","","","","","","","[3-Acetyloxy-2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-2-methylpropyl] acetate","","CC(=O)OCC(C)(COC(=O)C)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35","HHQBIFUBJNKSFA-UHFFFAOYSA-N","380635",NA,"PDBC56030","666311","Present"
-"[3-Acetyloxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate","","","","","","","","","","","","","","","","","","","","5,12-Naphthacenedione, 10-[(3,4-di-O-acetyl-2,6-dideoxy-...","","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)OC(=O)C)OC(=O)C","FCYRUGFDQOKETE-AXBADRFBSA-N","328650",NA,"PDBC56031","307990","Present"
-"[3-Acetyloxy-6-[(E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhept-5-en-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","NSC693536///NSC693537","","CC1=CCCC(=CCC(CC1)C(=CCCC(C)(C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)O)O)C)C","SIBSUOICZHROMU-WODZTBOESA-N","5469854",NA,"PDBC56032","693536///693537","Present"
-"[3-Allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-4-yl] acetate","","","","","","","","","","","","","","","","","","","","[3-Allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-4-yl] acetate","","CC(=O)OC1=C(C(OC1=O)C2COC(O2)(C)C)OCC=C","SNUSGDPWNYHOPC-UHFFFAOYSA-N","387132",NA,"PDBC56033","680540","Present"
-"[3-Allyloxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methanol","","","","","","","","","","","","","","","","","","","","[3-Allyloxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methanol","","C=CCOC1CC(OC1CO)N2C=NC3=C(N=CN=C32)N","HKIFUCPMCJEOTG-UHFFFAOYSA-N","374905",NA,"PDBC56034","653480","Present"
-"[3-Amino-4-(2-hydroxypropoxy)phenyl]arsonic acid","","","","","","","","","","","","","","","","","","","","wln: qy1&1or bz d-as-qqo","","CC(COC1=C(C=C(C=C1)[As](=O)(O)O)N)O","FEQOAJFIPPBRLL-UHFFFAOYSA-N","95470",NA,"PDBC56035","11825","Present"
-"[3-Amino-5-(2-cyclopropylethynyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(3-amino-5-(cyclopropylethynyl)-6-methoxy-1H-indol-2-yl)...","","COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=C(N2)C=C(C(=C3)C#CC4CC4)OC)N","LNJZRZNHLLWWGM-UHFFFAOYSA-N","155805296",NA,"PDBC56036","777179","Present"
-"[3-Amino-5-(3-hydroxyprop-1-ynyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(3-amino-5-(3-hydroxyprop-1-ynyl)-6-methoxy-1H-indol-2-y...","","COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=C(N2)C=C(C(=C3)C#CCO)OC)N","LKNCGHBDNHEXQS-UHFFFAOYSA-N","155806631",NA,"PDBC56037","777178","Present"
-"[3-Amino-5-(furo[2,3-b]quinolin-4-ylamino)phenyl]methanol","","","","","","","","","","","","","","","","","","","","[3-Amino-5-(furo[2,3-b]quinolin-4-ylamino)phenyl]methanol","","C1=CC=C2C(=C1)C(=C3C=COC3=N2)NC4=CC(=CC(=C4)N)CO","YCFIAULVRSVPSM-UHFFFAOYSA-N","404357",NA,"PDBC56038","720559","Present"
-"[3-Amino-5-[(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)amino]phenyl]methanol","","","","","","","","","","","","","","","","","","","","{3-Amino-5-[(2-chloro-11h-indolo[3,2-c]quinolin-6-yl)amino]phenyl}methanol","","C1=CC=C2C(=C1)C3=C(N2)C4=C(C=CC(=C4)Cl)N=C3NC5=CC(=CC(=C5)N)CO","YYQXBRXZEBQLIW-UHFFFAOYSA-N","404611",NA,"PDBC56039","721039","Present"
-"[3-Azido-3-(iodomethyl)-2-prop-1-ynylcyclohexyl] benzoate","","","","","","","","","","","","","","","","","","","","[3-Azido-3-(iodomethyl)-2-prop-1-ynylcyclohexyl] benzoate","","CC#CC1C(CCCC1(CI)N=[N+]=[N-])OC(=O)C2=CC=CC=C2","GFTMITPUFPQSRQ-UHFFFAOYSA-N","358285",NA,"PDBC56040","618227","Present"
-"[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])O)O","AHMNHNJZRGJFLV-UHFFFAOYSA-N","392612",NA,"PDBC56041","693168","Present"
-"[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O)N=[N+]=[N-]","CJLKHLDYMRNMRB-UHFFFAOYSA-N","392611",NA,"PDBC56042","693167","Present"
-"[3-Benzoyloxy-4-(4-nitrophenyl)sulfonyloxy-5-(phenylcarbamoyloxy)oxolan-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[3-Benzoyloxy-4-(4-nitrophenyl)sulfonyloxy-5-(phenylcarbamoyloxy)oxolan-2-yl]methyl benzoate","","C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)OC(=O)NC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=CC=C5","AVTIEDKYBAUKNE-UHFFFAOYSA-N","348485",NA,"PDBC56043","407813","Present"
-"[3-Bromo-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene","","","","","","","","","","","","","","","","","","","","[3-Bromo-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene","","C1=CC=C(C=C1)C2=C(C2(C(F)(F)F)Br)C3=CC=CC=C3","OKJCUIPEHFGLRC-UHFFFAOYSA-N","357616",NA,"PDBC56044","617140","Present"
-"[3-Butanoyloxy-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate","","","","","","","","","","","","","","","","","","","","[3-Butanoyloxy-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate","","CCCC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)F)OC(=O)CCC","YIUKEUOPPDSJFT-UHFFFAOYSA-N","380994",NA,"PDBC56045","666871","Present"
-"[3-Butanoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate","","","","","","","","","","","","","","","","","","","","[3-Butanoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate","","CCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)OC(=O)CCC","IKOZLHKUJQHYFR-UHFFFAOYSA-N","379286",NA,"PDBC56046","663792","Present"
-"[3-Chloro-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene","","","","","","","","","","","","","","","","","","","","[3-Chloro-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene","","C1=CC=C(C=C1)C2=C(C2(C(F)(F)F)Cl)C3=CC=CC=C3","SJSGXALESPCFPO-UHFFFAOYSA-N","357615",NA,"PDBC56047","617139","Present"
-"[3-Chloro-3-(4-chloro-phenyl)-1-hydroxy-allyl]-phosphonic acid dimethyl ester","","","","","","","","","","","","","","","","","","","","[3-Chloro-3-(4-chloro-phenyl)-1-hydroxy-allyl]-phosphoni...","","COP(=O)(C(C=C(C1=CC=C(C=C1)Cl)Cl)O)OC","CNONALSSANSMRX-YFHOEESVSA-N","5473093",NA,"PDBC56048","723650","Present"
-"[3-Hydroxy-2-(hydroxymethyl)-6-methoxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate","","","","","","","","","","","","","","","","","","","","[3-Hydroxy-2-(hydroxymethyl)-6-methoxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate","","COC1C(C(C(C(O1)CO)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O","UTEMCUTWDFVNEF-UHFFFAOYSA-N","383390",NA,"PDBC56049","671561","Present"
-"[3-Hydroxy-5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methyl be nzoate","","","","","","","","","","","","","","","","","","","","[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate","","CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O","NOEPYUJTOCSCJP-UHFFFAOYSA-N","359636",NA,"PDBC56050","620695","Present"
-"[3-Hydroxy-6-methoxy-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[3-Hydroxy-6-methoxy-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)O","VBMPEXQCHMMMJD-UHFFFAOYSA-N","359619",NA,"PDBC56051","620678","Present"
-"[3-Keto-Bmt(sup 1)]-[Val(sup 2)]-Cyclosporin","","","","","","","","","","","","","","","","","","","","[3-keto-Bmt(sup 1)]-[Val(sup 2)]-Cyclosporin","","CC=CCC(C)C(=O)C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C","YJDYDFNKCBANTM-QBFCYDOWSA-N","5467197",NA,"PDBC56052","648265","Present"
-"[3-Methoxy-6-(trimethylazaniumyl)hexyl]-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[3-Methoxy-6-(trimethylazaniumyl)hexyl]-trimethylazanium;iodide","","C[N+](C)(C)CCCC(CC[N+](C)(C)C)OC.[I-]","PNBWHVFPEYNTRC-UHFFFAOYSA-M","377590",NA,"PDBC56053","659157","Present"
-"[3-Methyl-4-(phenylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate","","","","","","","","","","","","","","","","","","","","[3-Methyl-4-(phenylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate","","CC1=C(C=CC(=C1)OC(=O)NC2=CC=C(C=C2)Cl)C(=S)NC3=CC=CC=C3","SGOATNDCXULZIR-UHFFFAOYSA-N","5471249",NA,"PDBC56054","710002","Present"
-"[3-[(2,6-Diaminopurin-9-yl)methyl]cyclopentyl]methanol","","","","","","","","","","","","","","","","","","","","[3-[(2,6-Diaminopurin-9-yl)methyl]cyclopentyl]methanol","","C1CC(CC1CN2C=NC3=C(N=C(N=C32)N)N)CO","KSCMRRQIOXETOM-UHFFFAOYSA-N","395598",NA,"PDBC56055","700343","Present"
-"[3-[(2-Amino-6-chloropyrimidin-4-yl)oxymethyl]-3-hydroxycyclobutyl]methyl benzoate","","","","","","","","","","","","","","","","","","","","(3-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3-hydroxycyclobutyl)methyl benzoate","","C1C(CC1(COC2=CC(=NC(=N2)N)Cl)O)COC(=O)C3=CC=CC=C3","OVUFQGAWDZYSSX-UHFFFAOYSA-N","385276",NA,"PDBC56056","676387","Present"
-"[3-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate","","","","","","","","","","","","","","","","","","","","[3-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohe","","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)OC(=O)C=C(C)C=CC=C(C)C=CC4=C(CCCC4(C)C)C)C)C","VIAGTTOZHTZNFT-FNMSJJEGSA-N","5468409",NA,"PDBC56057","669728","Present"
-"[3-[(3,4-Dichlorophenyl)methylene]-2,4-dihydroxy-6-oxo-5-triphenylphosphaniumyl-cyclohexa-1,4-dien-1-yl]-triphenyl-phosphonium","","","","","","","","","","","","","","","","","","","","6-(3,4-Dichlorobenzylidene)-5-oxo-2,4-bis(triphenylphosphonio)cyclohexa-1,3-diene-1,3-diolate","","C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C(=CC5=CC(=C(C=C5)Cl)Cl)C(=O)C(=C4[O-])[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)[O-]","GRQHZMQDOOMIPJ-UHFFFAOYSA-N","384667",NA,"PDBC56058","674712","Present"
-"[3-[(4-Chlorophenyl)carbamoyl]-2-oxo-4-phenylchromen-7-yl] 2-phenylacetate","","","","","","","","","","","","","","","","","","","","[3-[(4-Chlorophenyl)carbamoyl]-2-oxo-4-phenylchromen-7-yl] 2-phenylacetate","","C1=CC=C(C=C1)CC(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)C(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","HZNIKYNEYZNQSG-UHFFFAOYSA-N","359691",NA,"PDBC56059","621106","Present"
-"[3-[(4-Chlorophenyl)carbamoyl]-2-oxo-4-phenylchromen-7-yl] benzoate","","","","","","","","","","","","","","","","","","","","[3-[(4-Chlorophenyl)carbamoyl]-2-oxo-4-phenylchromen-7-yl] benzoate","","C1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC(=O)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)Cl","VYDGPJIBTHUJNO-UHFFFAOYSA-N","359690",NA,"PDBC56060","621105","Present"
-"[3-[(5-Acetoxy-2-methyl-pyrazolo[1,5-a]pyridin-3-yl)methyl]-2-methyl-pyrazolo[1,5-a]pyridin-5-yl] acetate","","","","","","","","","","","","","","","","","","","","[3-[(5-Acetyloxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl] acetate","","CC1=NN2C=CC(=CC2=C1CC3=C4C=C(C=CN4N=C3C)OC(=O)C)OC(=O)C","CCSQGYSMUMXKFA-UHFFFAOYSA-N","386502",NA,"PDBC56061","678872","Present"
-"[3-[(5-Amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol","","","","","","","","","","","","","","","","","","","","[3-[(5-Amino-7-chloro-triazolo[4,5-e]pyrimidin-3-yl)methyl]cyclopentyl]methanol","","C1CC(CC1CN2C3=C(C(=NC(=N3)N)Cl)N=N2)CO","MBWFUFVOLGSEPR-UHFFFAOYSA-N","395600",NA,"PDBC56062","700345","Present"
-"[3-[(Benzylamino)methyl]-2-[(4-hydroxyphenyl)methyl]-3-methyl-5-(2-phenylethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone","","","","","","","","","","","","","","","","","","","","[3-[(Benzylamino)methyl]-2-[(4-hydroxyphenyl)methyl]-3-methyl-5-(2-phenylethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone","","CC1(CC(N(C1CC2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4)CNCC5=CC=CC=C5","UAOSXJFTICMPKG-UHFFFAOYSA-N","401727",NA,"PDBC56063","715457","Present"
-"[3-[(E)-3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoyl]phenyl]boronic acid","","","","","","","","","","","","","","","","","","","","(E)-3-(3-(3-hydroxy-4-methoxyphenyl)acryloyl)phenylboron...","","B(C1=CC(=CC=C1)C(=O)C=CC2=CC(=C(C=C2)OC)O)(O)O","IPSHODCJLFFRPK-FNORWQNLSA-N","155814703",NA,"PDBC56064","777097","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate;iodide","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)C(C)(C)C.[I-]","LBQQSRQLGQTYDX-UHFFFAOYSA-N","376908",NA,"PDBC56065","658089","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide","","CCC(CC)C(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","QSCAKZSNTTXZMV-UHFFFAOYSA-N","376904",NA,"PDBC56066","658087","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide","","CC(C)C(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","JLQVFHVXNNDXPJ-UHFFFAOYSA-N","376906",NA,"PDBC56067","658088","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)CC4=CC=CC=C4.[I-]","BGCLBABFLOKPPA-UHFFFAOYSA-N","376918",NA,"PDBC56068","658094","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3,3-dimethylbutanoate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3,3-dimethylbutanoate;iodide","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)CC(C)(C)C.[I-]","YKCCGDDRZYQKBQ-UHFFFAOYSA-N","376912",NA,"PDBC56069","658091","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide","","CC(C)CC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","CKADVSKBPVSOBK-UHFFFAOYSA-N","376910",NA,"PDBC56070","658090","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclohexanecarboxylate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclohexanecarboxylate;iodide","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)C4CCCCC4.[I-]","KSBYUXHGUMCKFG-UHFFFAOYSA-N","376914",NA,"PDBC56071","658092","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)C4CC4.[I-]","AHDXHLURPAMEPF-UHFFFAOYSA-N","376916",NA,"PDBC56072","658093","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide","","CCCCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","QLSGNXFBJLWHKU-UHFFFAOYSA-N","376900",NA,"PDBC56073","658085","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide","","CCCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","DORUBTOOLKAOBT-UHFFFAOYSA-N","376898",NA,"PDBC56074","658084","Present"
-"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide","","","","","","","","","","","","","","","","","","","","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide","","CCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","GRKSEJKGGBCZRY-UHFFFAOYSA-N","24202441",NA,"PDBC56075","658083","Present"
-"[3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","3-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-9-(1h-indol-2-ylcarbonyl)-3,9-diazabicyclo[4.2.1]nonane","","C1CC2CN(CCC1N2C(=O)C3=CC4=CC=CC=C4N3)CCOC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F","WBUHRGXQSPNUQP-UHFFFAOYSA-N","401896",NA,"PDBC56076","715584","Present"
-"[3-[3-Acetyl-2-(2,4-difluorophenyl)-2H-1,3,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyrazol-4-yl] acetate","","","","","","","","","","","","","","","","","","","","[3-[3-Acetyl-2-(2,4-difluorophenyl)-2H-1,3,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyrazol-4-yl] acetate","","CC(=O)N1C(OC(=N1)C2=NN(C=C2OC(=O)C)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)F)F","YBNKJXPLSFIVTL-UHFFFAOYSA-N","406743",NA,"PDBC56077","725023","Present"
-"[3-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[3-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone","","CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)OC","FFYFPFWNZWRYNM-UHFFFAOYSA-N","45029127",NA,"PDBC56078","745486","Present"
-"[3-[4-[3-(Fluoromethylsulfonyloxy)propanoyl]piperazin-1-yl]-3-oxopropyl] fluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","[3-[4-[3-(Fluoromethylsulfonyloxy)propanoyl]piperazin-1-yl]-3-oxopropyl] fluoromethanesulfonate","","C1CN(CCN1C(=O)CCOS(=O)(=O)CF)C(=O)CCOS(=O)(=O)CF","XITXSPZWYQXBFG-UHFFFAOYSA-N","383018",NA,"PDBC56079","671002","Present"
-"[3-[5-(2-Anilinopyrimidin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-(2,6-difluorophenyl)sulfonylazanide","","","","","","","","","","","","","","","","","","","","[3-[5-(2-anilinopyrimidin-4-yl)-2-[2-(methylamino)-2-oxo...","","CNC(=O)CC1=NC(=C(S1)C2=NC(=NC=C2)NC3=CC=CC=C3)C4=C(C(=CC=C4)[N-]S(=O)(=O)C5=C(C=CC=C5F)F)F","XGWYLVFNZZNBDE-UHFFFAOYSA-N","155816510",NA,"PDBC56080","797381","Present"
-"[3-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aS,6bR,10S,12aR)-10-[3-acetamido-6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[(2E,6S)-6-[3,4-dihydroxy-5-[(2E)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","","","","","","","","","","","","","","","","","","","","[3-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aS,6bR,10","","CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(C(C7)OC(=O)C(=CCCC(C)(C=C)OC8C(C(C(C(O8)C)OC(=O)C(=CCCC(C)(C=C)O)CO)O)O)CO)(C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)C)OC1C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C)NC(=O)C)O)O)OC1C(C(C(CO1)O)O)O)O)O","HKEDBKXRDHFCFB-YERWJWFHSA-N","45029265",NA,"PDBC56081","745943","Present"
-"[3-[5-[3,5-Dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate","","","","","","","","","","","","","","","","","","","","NSC676773///NSC676774","","CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O","GGJRZIMZYBAXEM-RYLUFRSVSA-N","385522",NA,"PDBC56082","676773///676774","Present"
-"[3-[Bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-2-oxopiperidin-1-yl] benzoate","","","","","","","","","","","","","","","","","","","","(((1-(benzoyloxy)-2-oxopiperidin-3-yl)phosphoryl)bis(oxy...","","CC(C)(C)C(=O)OCOP(=O)(C1CCCN(C1=O)OC(=O)C2=CC=CC=C2)OCOC(=O)C(C)(C)C","RHCXDUUYRRYNLW-UHFFFAOYSA-N","155816557",NA,"PDBC56083","790965","Present"
-"[3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate","","","","","","","","","","","","","","","","","","","","1,3-Benzenediol, 5-[bis(2-chloroethyl)amino]-, dicarbama...","","C1=C(C=C(C=C1OC(=O)N)OC(=O)N)N(CCCl)CCCl","YGGDABPJGGNPPC-UHFFFAOYSA-N","316843",NA,"PDBC56084","245341","Present"
-"[3-[[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3-[[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phos","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC(COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])OCCCCCCCCCCCCCCCCCC)O)O","WLQCJVZDOOFGTK-UHFFFAOYSA-N","394837",NA,"PDBC56085","698689","Present"
-"[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O","SQRKLIRPTOBGAL-UHFFFAOYSA-N","394836",NA,"PDBC56086","698688","Present"
-"[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","C1CC(OC1COP(=O)(O)OCC(COP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)O)O)N4C=CC(=NC4=O)N","FEPYIZPOIUKDNC-UHFFFAOYSA-N","397134",NA,"PDBC56087","704533","Present"
-"[3-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[3-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxol","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)OP(=O)(O)OCC(COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=NC4=O)NCCCCCCCCCCCCCCCCCC)F)O)O)O","WUAWCSWWILXKNB-UHFFFAOYSA-N","397135",NA,"PDBC56088","704534","Present"
-"[4,1'-Dicarbothioic acid, bis[[1-(2-pyridinyl)ethylidene]hydrazide]","","","","","","","","","","","","","","","","","","","","[4,4'-Bipiperidine]-1,1'-dicarbothioic acid, bis[[1-(2-p...","","CC(=NNC(=S)N1CCC(CC1)C2CCN(CC2)C(=S)NN=C(C)C3=CC=CC=N3)C4=CC=CC=N4","MOOLQJQPXAPSKQ-CZYCKNNWSA-N","5464855",NA,"PDBC56089","363072","Present"
-"[4,10-Bis(phosphonomethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]methylphosphonic acid","","","","","","","","","","","","","","","","","","","","[4,10-Bis(phosphonomethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]methylphosphonic acid","","C1CN(CCNCCN(CCN(CCN1)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O","SLKOTJPUOZGKFS-UHFFFAOYSA-N","393900",NA,"PDBC56090","696861","Present"
-"[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] acetate","","CCC1C2=CC(=O)OC3=C4C(C(C(OC4=C(C(C23)O1)CC=C(C)C)(C)O)(C)CC)OC(=O)C","VYYRJRLCQZXBHV-UHFFFAOYSA-N","393699",NA,"PDBC56091","696133","Present"
-"[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] benzoate","","","","","","","","","","","","","","","","","","","","[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] benzoate","","CCC1C2=CC(=O)OC3=C4C(C(C(OC4=C(C(C23)O1)CC=C(C)C)(C)O)(C)CC)OC(=O)C5=CC=CC=C5","MIVHWPHZKXHITD-UHFFFAOYSA-N","393700",NA,"PDBC56092","696134","Present"
-"[4,5-Diacetoxy-6-(11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetoxy-6-(11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C6=CC=CC=C6N5","IEETTZJIVHLYRY-UHFFFAOYSA-N","392232",NA,"PDBC56093","692364","Present"
-"[4,5-Diacetoxy-6-(2-amino-3,5-dicyano-4-methyl-6-thioxo-1-pyridyl)tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","NSC678072///NSC678075","","CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C#N","UKXFHRCDUJHKKR-UHFFFAOYSA-N","3005865",NA,"PDBC56094","678072///678075","Present"
-"[4,5-Diacetoxy-6-(2-amino-3,5-dicyano-4-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","NSC678073///NSC678076","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N","MGXBCCDROORAHJ-UHFFFAOYSA-N","3005866",NA,"PDBC56095","678073///678076","Present"
-"[4,5-Diacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=CC=C4","QMXBXQXGFBBBFL-UHFFFAOYSA-N","368630",NA,"PDBC56096","639743","Present"
-"[4,5-Diacetoxy-6-(6-bromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetoxy-6-(6-bromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=C(C=C3)Br)C(=O)N(C2=S)C4=CC=CC=C4","MUWPUDSOZQNDBO-UHFFFAOYSA-N","368631",NA,"PDBC56097","639744","Present"
-"[4,5-Diacetoxy-6-[(2-methoxy-1-methyl-6-oxo-5-propanoyl-pyrimidin-4-yl)amino]oxy-tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[(2-methoxy-1-methyl-6-oxo-5-propanoylpyrimidin-4-yl)amino]oxyoxan-3-yl] acetate","","CCC(=O)C1=C(N=C(N(C1=O)C)OC)NOC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C","JAPQWIUVJVPEEL-UHFFFAOYSA-N","364475",NA,"PDBC56098","630807","Present"
-"[4,5-Diacetoxy-6-[(2-methylsulfanyl-5-oxo-furo[2,3-d]pyrimidin-4-yl)amino]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[(2-methylsulfanyl-5-oxofuro[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C3C(=O)COC3=NC(=N2)SC","RLZHGVQDSNKBEQ-UHFFFAOYSA-N","371469",NA,"PDBC56099","645742","Present"
-"[4,5-Diacetoxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl)amino]oxy-tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxopyrimidin-4-yl)amino]oxyoxan-3-yl] acetate","","CCCC(=O)C1=C(N=C(N(C1=O)C)OC)NOC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C","MIWILUDNKQJDRY-UHFFFAOYSA-N","364477",NA,"PDBC56100","630809","Present"
-"[4,5-Diacetoxy-6-[2-amino-3,5-dicyano-4-(4-methoxyphenyl)-6-thioxo-1-pyridyl]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","NSC678074///NSC678077","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=C(C(=C(C2=S)C#N)C3=CC=C(C=C3)OC)C#N)N","ZMIHKEJUFMRJSB-UHFFFAOYSA-N","3005867",NA,"PDBC56101","678074///678077","Present"
-"[4,5-Diacetoxy-6-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-thioxo-1-pyridyl]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidenepyridin-1-yl]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=CC(=C(C2=S)C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4","ZAHOVOIQMKUJOL-UHFFFAOYSA-N","383445",NA,"PDBC56102","671812","Present"
-"[4,5-Diacetoxy-6-[4-oxo-3-(p-tolyl)-2-thioxo-quinazolin-1-yl]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetoxy-6-[4-oxo-3-(p-tolyl)-2-thioxo-quinazolin-1-yl]tetrahydropyran-3-yl] acetate","","CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=S)C4C(C(C(CO4)OC(=O)C)OC(=O)C)OC(=O)C","NDYRYWNRTMVRTQ-UHFFFAOYSA-N","368632",NA,"PDBC56103","639745","Present"
-"[4,5-Diacetoxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]oxan-3-yl] acetate","","CCSC1=NC(=C(C(=O)N1C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC","FRIGTTJRMDPZHE-UHFFFAOYSA-N","375923",NA,"PDBC56104","656261","Present"
-"[4,5-Diacetoxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-thioxo-1-pyridyl]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-sulfanylidenepyridin-1-yl]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=CC(=C(C2=S)C#N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","ZPUNMVFZRCOWAV-UHFFFAOYSA-N","383446",NA,"PDBC56105","671813","Present"
-"[4,5-Diacetoxy-6-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-4-oxo-1,2-dihydropyrimidin-3-yl]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-4-oxo-1,2-dihydropyrimidin-3-yl]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(NC(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)SC","HGLHWUDPXMDIKS-UHFFFAOYSA-N","377750",NA,"PDBC56106","659341","Present"
-"[4,5-Diacetoxy-6-[[2-(benzylamino)-1-methyl-5-nitroso-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[[2-(benzylamino)-1-methyl-5-nitroso-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)NCC3=CC=CC=C3)C)N=O","AYHXGRCDXNVITL-UHFFFAOYSA-N","378835",NA,"PDBC56107","662153","Present"
-"[4,5-Diacetoxy-6-[[2-(butylamino)-1-methyl-5-nitroso-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[[2-(butylamino)-1-methyl-5-nitroso-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate","","CCCCNC1=NC(=C(C(=O)N1C)N=O)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C","CTKNRTIQZGTDDJ-UHFFFAOYSA-N","378834",NA,"PDBC56108","662152","Present"
-"[4,5-Diacetoxy-6-[[3-(4-methoxyphenyl)-2-methyl-4-oxo-quinazolin-6-yl]amino]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]amino]oxan-3-yl] acetate","","CC1=NC2=C(C=C(C=C2)NC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)N1C4=CC=C(C=C4)OC","FYWOHECYVXCGEJ-UHFFFAOYSA-N","386688",NA,"PDBC56109","679217","Present"
-"[4,5-Diacetoxy-6-[[5-(2-aminothiazol-4-yl)-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[[5-(2-amino-1,3-thiazol-4-yl)-2-methoxy-1-methyl-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)OC)C)C3=CSC(=N3)N","WCQLZRUYDIAODY-UHFFFAOYSA-N","371465",NA,"PDBC56110","645738","Present"
-"[4,5-Diacetoxy-6-azido-2-(chloromethyl)tetrahydropyran-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetoxy-6-azido-2-(chloromethyl)tetrahydropyran-3-yl] acetate","","CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)N=[N+]=[N-])CCl","VNMVMSNEBWXPTI-UHFFFAOYSA-N","362639",NA,"PDBC56111","626824","Present"
-"[4,5-Diacetyloxy-6-(2,3-dioxoindol-1-yl)oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","3,5-Bis(acetyloxy)-2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)tetrahydro-2H-pyran-4-yl acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC=CC=C3C(=O)C2=O","RPCHJXYHOXHSLC-UHFFFAOYSA-N","373204",NA,"PDBC56112","649171","Present"
-"[4,5-Diacetyloxy-6-(3-amino-5-methyl-1,2,4-triazol-1-yl)oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetoxy-2-(3-amino-5-methyl-1,2,4-triazol-1-yl)tetrahydropyran-3-yl] acetate","","CC1=NC(=NN1C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)N","RNEMBXSCJLFPLG-UHFFFAOYSA-N","398184",NA,"PDBC56113","707779","Present"
-"[4,5-Diacetyloxy-6-(5-bromo-2,3-dioxoindol-1-yl)oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-(5-bromo-2,3-dioxoindol-1-yl)oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=C(C=C3)Br)C(=O)C2=O","PMESJDIHRZLQKM-UHFFFAOYSA-N","373207",NA,"PDBC56114","649174","Present"
-"[4,5-Diacetyloxy-6-(5-bromo-6-nitro-2,3-dioxoindol-1-yl)oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-(5-bromo-6-nitro-2,3-dioxoindol-1-yl)oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC(=C(C=C3C(=O)C2=O)Br)[N+](=O)[O-]","OBFSNKOCUGHSLT-UHFFFAOYSA-N","373212",NA,"PDBC56115","649179","Present"
-"[4,5-Diacetyloxy-6-(5-hydroxy-2-methoxy-3,6-dimethyl-4,7-dioxopyrido[2,3-d]pyrimidin-8-yl)oxyoxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2-methoxy-3,6-dimethyl-4,7-dioxo- 3,7-dihydrop...","","CC1=C(C2=C(N=C(N(C2=O)C)OC)N(C1=O)OC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)O","CKBVJADOZLQZSN-UHFFFAOYSA-N","54676247",NA,"PDBC56116","630811","Present"
-"[4,5-Diacetyloxy-6-(6-chloro-4-methyl-2,3-dioxopyrrolo[2,3-b]pyridin-1-yl)oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-(6-chloro-4-methyl-2,3-dioxopyrrolo[2,3-b]pyridin-1-yl)oxan-3-yl] acetate","","CC1=CC(=NC2=C1C(=O)C(=O)N2C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)Cl","QIXIALKJNWSAIM-UHFFFAOYSA-N","373129",NA,"PDBC56117","649071","Present"
-"[4,5-Diacetyloxy-6-(6-methyl-2-methylsulfanyl-4,7-dioxo-1H-pteridin-8-yl)oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetoxy-6-(6-methyl-2-methylsulfanyl-4,7-dioxo-3H-pteridin-8-yl)tetrahydropyran-3-yl] acetate","","CC1=NC2=C(N=C(NC2=O)SC)N(C1=O)C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C","OCGCRXHKNHZQSV-UHFFFAOYSA-N","135408971",NA,"PDBC56118","650998","Present"
-"[4,5-Diacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate","","CCC1=C(C2=C(N=C(N=C2OC1=O)SC)NC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","AEWBSGKCQGZHDE-UHFFFAOYSA-N","363723",NA,"PDBC56119","628883","Present"
-"[4,5-Diacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate","","CC1=C(C2=C(N=C(N=C2OC1=O)SC)NC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","CFNDXBATJOUGHN-UHFFFAOYSA-N","363720",NA,"PDBC56120","628880","Present"
-"[4,5-Diacetyloxy-6-[4-[(E)-benzylideneamino]-6-[(E)-2-(4-chlorophenyl)ethenyl]-5-oxo-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[4-[(E)-benzylideneamino]-6-[(E)-2-(4-chlorophenyl)ethenyl]-5-oxo-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=S)N(C(=O)C(=N2)C=CC3=CC=C(C=C3)Cl)N=CC4=CC=CC=C4","AMFGOQIUSJRFSZ-XBHHHXAXSA-N","9572491",NA,"PDBC56121","717713","Present"
-"[4,5-Diacetyloxy-6-[5-bromo-2-hydroxy-6-nitro-3-[(4-nitrophenyl)diazenyl]indol-1-yl]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[5-bromo-2-hydroxy-6-nitro-3-[(4-nitrophenyl)diazenyl]indol-1-yl]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC(=C(C=C3C(=C2O)N=NC4=CC=C(C=C4)[N+](=O)[O-])Br)[N+](=O)[O-]","XENHEKAJFUNJBR-UHFFFAOYSA-N","373209",NA,"PDBC56122","649176","Present"
-"[4,5-Diacetyloxy-6-[5-bromo-3-(carbamothioyldiazenyl)-2-hydroxyindol-1-yl]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[5-bromo-3-(carbamothioyldiazenyl)-2-hydroxyindol-1-yl]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=C(C=C3)Br)C(=C2O)N=NC(=S)N","SSWIIAMBMVJWHL-UHFFFAOYSA-N","3808513",NA,"PDBC56123","649177","Present"
-"[4,5-Diacetyloxy-6-[[1-methyl-2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[[1-methyl-2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate","","CC(=NC1=C(N=C(N(C1=O)C)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","YQUJLRUXUSYSIY-UHFFFAOYSA-N","360588",NA,"PDBC56124","622763","Present"
-"[4,5-Diacetyloxy-6-[[1-methyl-5-[2-[1-methyl-2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]pyrimidin-5-yl]iminoethylideneamino]-2-methylsulfanyl-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[[1-methyl-5-[2-[1-methyl-2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]pyrimidin-5-yl]iminoethylideneamino]-2-methylsulfanyl-6-oxopyrimidin-4-yl]amino]oxan-3-yl] ace","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)SC)C)N=CC=NC3=C(N=C(N(C3=O)C)SC)NC4C(C(C(CO4)OC(=O)C)OC(=O)C)OC(=O)C","HJULKYQQISVSTJ-UHFFFAOYSA-N","360595",NA,"PDBC56125","622770","Present"
-"[4,5-Diacetyloxy-6-[[2-methoxy-1-methyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[[2-methoxy-1-methyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate","","CC(=NC1=C(N=C(N(C1=O)C)OC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","ZEZPEGRFFYKSBS-UHFFFAOYSA-N","360584",NA,"PDBC56126","622759","Present"
-"[4,5-Diacetyloxy-6-[[2-methoxy-5-[2-[2-methoxy-1-methyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]pyrimidin-5-yl]iminoethylideneamino]-1-methyl-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[[2-methoxy-5-[2-[2-methoxy-1-methyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]pyrimidin-5-yl]iminoethylideneamino]-1-methyl-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)OC)C)N=CC=NC3=C(N=C(N(C3=O)C)OC)NC4C(C(C(CO4)OC(=O)C)OC(=O)C)OC(=O)C","PTXDBWWEFHDKQS-UHFFFAOYSA-N","360591",NA,"PDBC56127","622766","Present"
-"[4,5-Diacetyloxy-6-[[2-methylsulfanyl-5-[2-[[2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]-1H-pyrimidin-5-yl]imino]ethylideneamino]-6-oxo-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[[2-methylsulfanyl-5-[2-[[2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]-1H-pyrimidin-5-yl]imino]ethylideneamino]-6-oxo-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate","","CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)NC(=N2)SC)N=CC=NC3=C(N=C(NC3=O)SC)NC4C(C(C(CO4)OC(=O)C)OC(=O)C)OC(=O)C","BXMMEHYIGJGYKP-UHFFFAOYSA-N","135483428",NA,"PDBC56128","622768","Present"
-"[4,5-Diacetyloxy-6-[[2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-6-[[2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate","","CC(=NC1=C(N=C(NC1=O)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","BHIGAJQJWPZXJF-UHFFFAOYSA-N","135463879",NA,"PDBC56129","622761","Present"
-"[4,5-Diacetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-3-chloro-6-methylnaphthalen-1-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Diacetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-3-chloro-6-methylnaphthalen-1-yl] acetate","","CC1=C(C=C2C(=CC(=C(C2=C1OC(=O)C)OC(=O)C)Cl)OC(=O)C)O[Si](C)(C)C(C)(C)C","ZBBTZXXMGSKHPA-UHFFFAOYSA-N","359523",NA,"PDBC56130","620506","Present"
-"[4,5-Dihydroxy-2-[[(5R,8S)-1-hydroxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4,5-Dihydroxy-2-[[(5R,8S)-1-hydroxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxan-3-yl] acetate","","CC1CCC(C2=C1C(=C(C(=C2)C)OC3C(C(C(CO3)O)O)OC(=O)C)O)C(C)CCC=C(C)C","PMIXPFOPJYZXRM-UJCDBHBTSA-N","404620",NA,"PDBC56131","721048","Present"
-"[4,7-Bis[[hydroxy(phenyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-phenyl-phosphinic acid","","","","","","","","","","","","","","","","","","","","[4,7-Bis[[hydroxy(phenyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-phenyl-phosphinic acid","","C1CN(CCN(CCN1CP(=O)(C2=CC=CC=C2)O)CP(=O)(C3=CC=CC=C3)O)CP(=O)(C4=CC=CC=C4)O","FLBGYWDTUFNIQU-UHFFFAOYSA-N","376954",NA,"PDBC56132","658154","Present"
-"[4,7-Dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methanol","","","","","","","","","","","","","","","","","","","","[4,7-Dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methanol","","CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4OC)N=C(N5C)CO)OC","LOQPTSXAKNEIJO-UHFFFAOYSA-N","6712701",NA,"PDBC56133","706839","Present"
-"[4,7-Dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[4,7-Dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methyl acetate","","CC(=O)OCC1=NC2=C(C(=CC(=C2N1C)OC)C3=NC4=C(N3)C=CC(=N4)N5CCN(CC5)C)OC","BKDOSMQFNDTFQK-UHFFFAOYSA-N","6712700",NA,"PDBC56134","706838","Present"
-"[4-(1,3-Dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-2-oxooxolan-3-yl]methyl 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","[4-(1,3-Dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-2-oxooxolan-3-yl]methyl 2,2-dimethylpropanoate","","CC(C)(C)C(=O)OCC1C(COC1=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2","CXOSVPBPIYWQCY-UHFFFAOYSA-N","374933",NA,"PDBC56135","653547","Present"
-"[4-(1-Benzothiophen-2-yl)-4-piperidin-1-ylcyclohexyl]oxy-trimethylsilane","","","","","","","","","","","","","","","","","","","","[4-(Benzothiophen-2-yl)-4-(1-piperidyl)cyclohexoxy]-trimethyl-silane","","C[Si](C)(C)OC1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4","JOBAGXWSTPJQSE-UHFFFAOYSA-N","398710",NA,"PDBC56136","708854","Present"
-"[4-(1-Hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[4-(1-Hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]methyl benzoate","","C1CCC(CC1)(C2CC(OC2=O)COC(=O)C3=CC=CC=C3)O","UUEZLOIPRZRQIB-UHFFFAOYSA-N","390941",NA,"PDBC56137","689194","Present"
-"[4-(2,2-Dicarbamoylethenyl)phenyl]methylphosphonic acid","","","","","","","","","","","","","","","","","","","","[4-(3-Amino-2-carbamoyl-3-oxoprop-1-en-1-yl)benzyl]phosphonic acid","","C1=CC(=CC=C1CP(=O)(O)O)C=C(C(=O)N)C(=O)N","MGVFZORBJOTHGV-UHFFFAOYSA-N","364980",NA,"PDBC56138","631882","Present"
-"[4-(2,2-Dicyanoethenyl)phenyl]methylphosphonic acid;methanol","","","","","","","","","","","","","","","","","","","","[4-(2,2-Dicyanoethenyl)phenyl]methylphosphonic acid;methanol","","CO.C1=CC(=CC=C1CP(=O)(O)O)C=C(C#N)C#N","FRAGFJFPRNRTLW-UHFFFAOYSA-N","364975",NA,"PDBC56139","631878","Present"
-"[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]-trimethylazanium;iodide","","CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)[N+](C)(C)C.[I-]","WGTLVZMHEVZMST-UHFFFAOYSA-M","24200574",NA,"PDBC56140","382040","Present"
-"[4-(2-Carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid","","","","","","","","","","","","","","","","","","","","[4-(2-Carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid","","C1=CC(=CC=C1CP(=O)(O)O)C=C(C#N)C(=O)N","HVEKPXDPQFYBTR-BJMVGYQFSA-N","5388096",NA,"PDBC56141","631879","Present"
-"[4-(2-Hydroxyethylsulfamoyl)phenyl]stibonic acid","","","","","","","","","","","","","","","","","","","","[4-(2-Hydroxyethylsulfamoyl)phenyl]stibonic acid","","C1=CC(=CC=C1S(=O)(=O)NCCO)[Sb](=O)(O)O","TYYWTSKEHLJBDZ-UHFFFAOYSA-L","224913",NA,"PDBC56142","13776","Present"
-"[4-(3,5-Dichlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(4-(3,5-dichlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)me...","","CCOC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=CC(=C3)Cl)Cl","NSLOWXIBFUYJLC-UHFFFAOYSA-N","155812029",NA,"PDBC56143","794223","Present"
-"[4-(3-Bromo-2,4,6-trimethyl-benzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(3-bromo-2,4,6-trimethyl-phenyl)methanone","","","","","","","","","","","","","","","","","","","","[4-(3-Bromo-2,4,6-trimethylbenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(3-bromo-2,4,6-trimethylphenyl)methanone","","CC1=CC(=C(C(=C1C(=O)C2=NO[N+](=C2C(=O)C3=C(C(=C(C=C3C)C)Br)C)[O-])C)Br)C","UQJUSMRDTWBHAG-UHFFFAOYSA-N","286533",NA,"PDBC56144","144990","Present"
-"[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone","","","","","","","","","","","","","","","","","","","","[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone","","C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3NC4=CC(=NC=C4)C(F)(F)F","GMKXSKIVGGWGDY-UHFFFAOYSA-N","45027972",NA,"PDBC56145","740363","Present"
-"[4-(3-Methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy)-phenyl]-urea","","","","","","","","","","","","","","","","","","","","[4-(3-methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy)-phenyl]-...","","CN1C=CC2=C1C=CC3=NC=CC(=C23)OC4=CC=C(C=C4)NC(=O)N","PUMQAPFVZGVEIQ-UHFFFAOYSA-N","406603",NA,"PDBC56146","724817","Present"
-"[4-(3-Phenyl-ureido)-benzenesulfonylamino]-acetic acid","","","","","","","","","","","","","","","","","","","","[4-(3-Phenyl-ureido)-benzenesulfonylamino]-acetic acid","","C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O","HNQAVERRSLLMAZ-UHFFFAOYSA-N","360258",NA,"PDBC56147","622280","Present"
-"[4-(4-Arsono-3-nitrophenyl)phenyl]arsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-13791","","C1=CC(=CC=C1C2=CC(=C(C=C2)[As](=O)(O)O)[N+](=O)[O-])[As](=O)(O)O","IYUVWRYTUIZXSW-UHFFFAOYSA-N","224928",NA,"PDBC56148","13791","Present"
-"[4-(4-Chloroanilino)quinazolin-6-yl]urea","","","","","","","","","","","","","","","","","","","","NSC757177","","C1=CC(=CC=C1NC2=NC=NC3=C2C=C(C=C3)NC(=O)N)Cl","YDZATYFCHVJGEI-UHFFFAOYSA-N","71579162",NA,"PDBC56149","757177","Present"
-"[4-(4-Cyanatophenoxy)phenyl] cyanate","","","","","","","","","","","","","","","","","","","","Cambridge id 5180510","","C1=CC(=CC=C1OC#N)OC2=CC=C(C=C2)OC#N","SNYVZKMCGVGTKN-UHFFFAOYSA-N","371797",NA,"PDBC56150","646241","Present"
-"[4-(4-Hydroxyphenyl)phenyl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","Q27195907","","C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O","IURCXIQRULDEEY-UHFFFAOYSA-N","344075",NA,"PDBC56151","400770","Present"
-"[4-(4-Iodophenyl)phenyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[4-(4-Iodophenyl)phenyl]phosphonic acid","","C1=CC(=CC=C1C2=CC=C(C=C2)I)P(=O)(O)O","RNMMMUDLNAIZHV-UHFFFAOYSA-N","380766",NA,"PDBC56152","666475","Present"
-"[4-(4-Methoxyphenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone","","","","","","","","","","","","","","","","","","","","[4-(4-Methoxyphenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone","","COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC4=CC(=NC=C4)C(F)(F)F","VKAXZVICTQAAJV-UHFFFAOYSA-N","45027971",NA,"PDBC56153","740362","Present"
-"[4-(4-Methylphenyl)-6-oxo-2-phenyl-1,3-dioxin-2-yl]methyl-triphenylphosphanium;bromide","","","","","","","","","","","","","","","","","","","","{[6-(4-Methylphenyl)-4-oxo-2-phenyl-4h-1,3-dioxin-2-yl]methyl}(triphenyl)phosphonium bromide","","CC1=CC=C(C=C1)C2=CC(=O)OC(O2)(C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","LPZSWNWDEVTVPP-UHFFFAOYSA-M","404235",NA,"PDBC56154","720414","Present"
-"[4-(4-Nitrophenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone","","","","","","","","","","","","","","","","","","","","[4-(4-Nitrophenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone","","C1C(C(N=N1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]","UZLZXBNRZHPDMM-UHFFFAOYSA-N","244737",NA,"PDBC56155","55849","Present"
-"[4-(4-Nitrophenyl)piperazin-1-yl]-(3,6,7-trimethyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)methanone","","","","","","","","","","","","","","","","","","","","6,7-dimethyl-1,4-di-N-oxide-3-methylquinoxalin-2-yl-4-(4...","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]","IERWXMDRVHSQGZ-UHFFFAOYSA-N","404496",NA,"PDBC56156","720732","Present"
-"[4-(5,8-Diacetyloxy-1-tetracyclo[6.6.0.02,7.09,14]tetradeca-2(7),3,5,9,11,13-hexaenyl)phenyl] acetate","","","","","","","","","","","","","","","","","","","","[4-(5,8-Diacetyloxy-1-tetracyclo[6.6.0.02,7.09,14]tetradeca-2(7),3,5,9,11,13-hexaenyl)phenyl] acetate","","CC(=O)OC1=CC=C(C=C1)C23C4=C(C2(C5=CC=CC=C35)OC(=O)C)C=C(C=C4)OC(=O)C","VYVDPFREHHCGMM-UHFFFAOYSA-N","231714",NA,"PDBC56157","28365","Present"
-"[4-(6-Amino-1,4,5,6-tetrahydropurin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol","","","","","","","","","","","","","","","","","","","","[4-(6-Amino-1,4,5,6-tetrahydropurin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol","","C1=NC2C(C(N1)N)N=CN2C3C4C(C(O3)CO)O[Sn]O4","RBSLPHLABCKFJJ-UHFFFAOYSA-N","16683571",NA,"PDBC56158","634373","Present"
-"[4-(6-Benzamidoimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate","","","","","","","","","","","","","","","","","","","","[4-(6-Benzamidoimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate","","CN(C)C(=O)OC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)NC(=O)C4=CC=CC=C4","JZBKYDLKWHUWHY-UHFFFAOYSA-N","398290",NA,"PDBC56159","708004","Present"
-"[4-(6-Methoxyimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate","","","","","","","","","","","","","","","","","","","","[4-(6-Methoxyimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate","","CN(C)C(=O)OC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)OC","CCAPFULUTWTQID-UHFFFAOYSA-N","398324",NA,"PDBC56160","708038","Present"
-"[4-(Adamantane-1-carbonylamino)phenyl] 4-fluorobenzenesulfonate","","","","","","","","","","","","","","","","","","","","NSC774790","","C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)F","LLXLLGJJXOHBLG-UHFFFAOYSA-N","155814656",NA,"PDBC56161","774790","Present"
-"[4-(Adamantane-1-carbonylamino)phenyl] benzenesulfonate","","","","","","","","","","","","","","","","","","","","NSC772852","","C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5","NYTJZFKTUQYXEN-UHFFFAOYSA-N","155806561",NA,"PDBC56162","772852","Present"
-"[4-(Benzyloxy)benzyl](triphenyl)phosphonium chloride","","","","","","","","","","","","","","","","","","","","NSC672451","","C1=CC=C(C=C1)COC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]","ZNDBERRZILXTHK-UHFFFAOYSA-M","383834",NA,"PDBC56163","672451","Present"
-"[4-(Butylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate","","","","","","","","","","","","","","","","","","","","[4-(Butylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate","","CCCCNC(=S)C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)Cl","HZSBVBWPFHOFTA-UHFFFAOYSA-N","5471255",NA,"PDBC56164","710008","Present"
-"[4-(Cycloheptylamino)-3-pyridyl]-[3-(trifluoromethyl)phenyl]methanol","","","","","","","","","","","","","","","","","","","","[4-(cycloheptylamino)-3-pyridyl]-[3-(trifluoromethyl)phe...","","C1CCCC(CC1)NC2=C(C=NC=C2)C(C3=CC(=CC=C3)C(F)(F)F)O","NWYWQIXOKVJSRB-UHFFFAOYSA-N","155807707",NA,"PDBC56165","800448","Present"
-"[4-(Dipropylamino)-2-methylphenyl]methanol","","","","","","","","","","","","","","","","","","","","NSC761220","","CCCN(CCC)C1=CC(=C(C=C1)CO)C","JIVGYPBFIFHROW-UHFFFAOYSA-N","62134178",NA,"PDBC56166","761220","Present"
-"[4-(Hydroxymethyl)cuban-1-yl]methanol","","","","","","","","","","","","","","","","","","","","[4-(Hydroxymethyl)cuban-1-yl]methanol","","C(C12C3C4C1C5C2C3C45CO)O","AWRJQAGOUMAUGW-UHFFFAOYSA-N","369183",NA,"PDBC56167","640889","Present"
-"[4-(Methylcarbamoyloxymethyl)-1-phenyl-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","(1-Phenyl-2,5-dihydro-1H-pyrrole-3,4-diyl)dimethanediyl bis(methylcarbamate)","","CNC(=O)OCC1=C(CN(C1)C2=CC=CC=C2)COC(=O)NC","GXRBOBHCNUSHNM-UHFFFAOYSA-N","376892",NA,"PDBC56168","658078","Present"
-"[4-(Nitrooxymethyl)phenyl] benzoate","","","","","","","","","","","","","","","","","","","","4-((nitrooxy)methyl)phenyl benzoate","","C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-]","TXDZRXFMCDVSAZ-UHFFFAOYSA-N","91667526",NA,"PDBC56169","788821","Present"
-"[4-(Phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate","","","","","","","","","","","","","","","","","","","","[4-(Phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate","","CN(C)C(=O)OC1=CC=C(C=C1)C(=S)NC2=CC=CC=C2","WBQVKZOMQRHJAF-UHFFFAOYSA-N","5471256",NA,"PDBC56170","710009","Present"
-"[4-(Sulfamoylmethyl)phenyl]arsonic acid","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-13768","","C1=CC(=CC=C1CS(=O)(=O)N)[As](=O)(O)O","CNVLEABJAAAPQO-UHFFFAOYSA-N","224907",NA,"PDBC56171","13768","Present"
-"[4-Acetoxy-5-[5,7-diacetoxy-3-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-2-yl]-2-hydroxy-phenyl] acetate","","","","","","","","","","","","","","","","","","","","[4-Acetyloxy-2-[5,7-diacetyloxy-3-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]-5-hydroxyphenyl] acetate","","CC(=O)OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC(=O)C)C4C(C(C(C(O4)CO)O)O)O)OC(=O)C)O)OC(=O)C)O","RWDLQIOGIKBJFN-UHFFFAOYSA-N","397378",NA,"PDBC56172","705083","Present"
-"[4-Acetyloxy-2-[[[3,4-diacetyloxy-5-[4-(octadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4-Acetyloxy-2-[[[3,4-diacetyloxy-5-[4-(octadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] acetate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)NC(=O)CCCCCCCCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","FEKQTDBMXSGAJQ-UHFFFAOYSA-N","394832",NA,"PDBC56173","698684","Present"
-"[4-Acetyloxy-6-[(1S,2S,6R,7S,9S,12S,13R,16R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (2S,3S)-2-hydroxy-3-methylpentanoate","","","","","","","","","","","","","","","","","","","","[4-Acetyloxy-6-[(1S,2S,6R,7S,9S,12S,13R,16R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-","","CCC(C)C(C(=O)OC1COC(C(C1OC(=O)C)OC2C(C(C(C(O2)C)O)O)O)OC3CC(CC4=CCC5C(C34C)CCC6(C5CC7C6C(C8(O7)CCC(=C)CO8)C)C)O)O","GWYMUKPJMPPUTG-KISXJDFWSA-N","399206",NA,"PDBC56174","709880","Present"
-"[4-Acetyloxy-6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-5-hydroxyoxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4-Acetyloxy-6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-5-hydroxyoxan-3-yl] acetate","","CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(CO4)OC(=O)C)OC(=O)C)O)C)C=C(C)C)C","AXXBUCAUNFEVQG-NQHLMHTISA-N","24204968",NA,"PDBC56175","733760","Present"
-"[4-Allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[4-Allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-3-yl] acetate","","CC(=O)OC1=C(C(=O)OC1C2COC(O2)(C)C)OCC=C","NYGOHPXXZJYJOK-UHFFFAOYSA-N","386045",NA,"PDBC56176","677612","Present"
-"[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[4-Amino-2-[(4-chlorophenyl)amino]thiazol-5-yl]-(4-methoxyphenyl)methanone","","COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Cl)N","RCEICRISYMHQBI-UHFFFAOYSA-N","399621",NA,"PDBC56177","710530","Present"
-"[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","[4-Amino-2-[(4-chlorophenyl)amino]thiazol-5-yl]-(2-thienyl)methanone","","C1=CSC(=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Cl)N","SBPHIPNBLYQLAF-UHFFFAOYSA-N","399019",NA,"PDBC56178","709440","Present"
-"[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-(furan-2-yl)methanone","","","","","","","","","","","","","","","","","","","","[4-Amino-2-[(4-methoxyphenyl)amino]thiazol-5-yl]-(2-furyl)methanone","","COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CO3)N","LLMKKGKRWBVTBQ-UHFFFAOYSA-N","399017",NA,"PDBC56179","709438","Present"
-"[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","[4-Amino-2-[(4-methoxyphenyl)amino]thiazol-5-yl]-(2-thienyl)methanone","","COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CS3)N","WKYZBJBRRCHNQC-UHFFFAOYSA-N","399016",NA,"PDBC56180","709437","Present"
-"[4-Amino-2-(ethylamino)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","(4-Amino-2-ethylamino-thiazol-5-yl)-(2-thienyl)methanone","","CCNC1=NC(=C(S1)C(=O)C2=CC=CS2)N","GHKSTMPIIJPIKN-UHFFFAOYSA-N","399614",NA,"PDBC56181","710523","Present"
-"[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methanol","","","","","","","","","","","","","","","","","","","","[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methanol","","CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CO","VTBPUJLGDBFADD-UHFFFAOYSA-N","389990",NA,"PDBC56182","686784","Present"
-"[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methanethiol","","","","","","","","","","","","","","","","","","","","(4-Amino-6-dimethylamino-1,3,5-triazin-2-yl)methanethiol","","CN(C)C1=NC(=NC(=N1)N)CS","NMNFODOEPVKFAU-UHFFFAOYSA-N","389997",NA,"PDBC56183","686792","Present"
-"[4-Benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxypropoxy]phosphinothioyl]oxymethyl]-5-(4-imino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] benzoate","","","","","","","","","","","","","","","","","","","","[5-(4-Amino-2-oxopyrimidin-1-yl)-4-benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]phosphinothioyl]oxymethyl]oxolan-3-yl] benzoate","","CC(=O)OCC1C(C(C(C(O1)OCCCOP(=S)(OCCC#N)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C","DBFSYRXOCMSEEQ-UHFFFAOYSA-N","393717",NA,"PDBC56184","696235","Present"
-"[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate","","","","","","","","","","","","","","","","","","","","[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate","","CCCC(=O)OC1C(OC(C1F)N2C=C(C(=O)NC2=O)F)CO","QMRFHWKESJIABD-UHFFFAOYSA-N","380992",NA,"PDBC56185","666869","Present"
-"[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate","","","","","","","","","","","","","","","","","","","","[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate","","CCCC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)F)O","DBWPUCRQGKRNEA-UHFFFAOYSA-N","380993",NA,"PDBC56186","666870","Present"
-"[4-Hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-3-yl] [5-(4-imino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)OP(=O)(O)OCC3CCC(O3)N4C=CC(=NC4=O)N)O","NBBAJTRSYAVHBK-UHFFFAOYSA-N","395196",NA,"PDBC56187","699499","Present"
-"[4-Hydroxy-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate","","","","","","","","","","","","","","","","","","","","[4-Hydroxy-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate","","CCCCCCCCCCCCCC(=O)OC1C(OC(=O)C1O)CO","JJZWVAMXZUFLMG-UHFFFAOYSA-N","360094",NA,"PDBC56188","621944","Present"
-"[4-Methoxy-2-(trifluoromethyl)phenyl]-phenothiazin-10-ylmethanone","","","","","","","","","","","","","","","","","","","","NSC780569","","COC1=CC(=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(F)(F)F","FEKQREDSRFJAMD-UHFFFAOYSA-N","127053174",NA,"PDBC56189","780569","Present"
-"[4-Methyl-4-(p-tolyl)-2,5-dithioxo-imidazolidin-1-yl]thiourea","","","","","","","","","","","","","","","","","","","","[4-Methyl-4-(p-tolyl)-2,5-dithioxo-imidazolidin-1-yl]thiourea","","CC1=CC=C(C=C1)C2(C(=S)N(C(=S)N2)NC(=S)N)C","OLLKVWNYRQLLGO-UHFFFAOYSA-N","3001341",NA,"PDBC56190","648802","Present"
-"[4-Oxido-1-oxo-3,6-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","3,6-di(trifluoromethyl)-2-(thien-2-ylcarbonyl)quinoxalin...","","C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C(F)(F)F","QCDYYHPFNWFQLO-UHFFFAOYSA-N","23635528",NA,"PDBC56191","740109","Present"
-"[4-Oxido-1-oxo-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","3,7-di(trifluoromethyl)-2-(thien-2-ylcarbonyl)quioxaline...","","C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])C(F)(F)F","KQNAKEWNMALXGU-UHFFFAOYSA-N","23635527",NA,"PDBC56192","740383","Present"
-"[4-[(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] acetate","","","","","","","","","","","","","","","","","","","","[4-[(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] acetate","","CC(=O)OC1=CC=C(C=C1)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)O)O)O","UISZIKHQQVAHJY-UHFFFAOYSA-N","369941",NA,"PDBC56193","642308","Present"
-"[4-[(1E,4E)-5-(4-Boronophenyl)-3-oxopenta-1,4-dienyl]phenyl]boronic acid","","","","","","","","","","","","","","","","","","","","4,4'-((1E,4E)-3-oxopenta-1,4-diene-1,5-diyl)bis(4,1-phen...","","B(C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)B(O)O)(O)O","KLFTZCHGPALTGW-YDWXAUTNSA-N","155816227",NA,"PDBC56194","777095","Present"
-"[4-[(2E,4E,6Z)-6-(4-Ethoxythiochromen-2-ylidene)hexa-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;tetrafluoroborate","","","","","","","","","","","","","","","","","","","","[4-[(2E,4E,6Z)-6-(4-Ethoxythiochromen-2-ylidene)hexa-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;tetrafluoroborate","","","","",NA,"PDBC56195","631074","Present"
-"[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-(4-chlorophenyl)carbamate","","","","","","","","","","","","","","","","","","","","[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-(4-chlorophenyl)carbamate","","C1=CC(=CC=C1C(=S)NC2=CC=C(C=C2)Br)OC(=O)NC3=CC=C(C=C3)Cl","NIKKEIBIEAZGLU-UHFFFAOYSA-N","5471250",NA,"PDBC56196","710003","Present"
-"[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-methylcarbamate","","CNC(=O)OC1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)Br","LDRZPLZTLYXXKX-UHFFFAOYSA-N","5471252",NA,"PDBC56197","710005","Present"
-"[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-phenylcarbamate","","","","","","","","","","","","","","","","","","","","[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-phenylcarbamate","","C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)C(=S)NC3=CC=C(C=C3)Br","CGMGROHOYMTVDS-UHFFFAOYSA-N","5471257",NA,"PDBC56198","710010","Present"
-"[4-[(4-Methylphenyl)diazenyl]-7-oxocyclohepta-1,3,5-trien-1-yl] 2-methylprop-2-enoate","","","","","","","","","","","","","","","","","","","","4-[(e)-(4-Methylphenyl)diazenyl]-7-oxocyclohepta-1,3,5-trien-1-yl 2-methylprop-2-enoate","","CC1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)OC(=O)C(=C)C","MRYNEXGYUVXVKV-UHFFFAOYSA-N","254859",NA,"PDBC56199","79559","Present"
-"[4-[(E)-(2-Nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone","","","","","","","","","","","","","","","","","","","","{4-[(E)-(2-Nitrophenyl)diazenyl]-3,5-diphenyl-1H-pyrazol-1-yl}(pyridin-4-yl)methanone","","C1=CC=C(C=C1)C2=C(C(=NN2C(=O)C3=CC=NC=C3)C4=CC=CC=C4)N=NC5=CC=CC=C5[N+](=O)[O-]","PSPUIRZKSLZWMI-UHFFFAOYSA-N","372608",NA,"PDBC56200","647969","Present"
-"[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate","","C1CCC(=O)C(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC(=C(C=C3)Cl)Cl)C1","RVIFAECUDAUOTE-ODXROTIPSA-N","5938082",NA,"PDBC56201","693441","Present"
-"[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate","","C1CCC(=O)C(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)Cl)C1","VRLAEWGWDYSYDC-ZUJOODJSSA-N","5918411",NA,"PDBC56202","693439","Present"
-"[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate","","COC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C=C3CCCCC3=O","LDFGUVNKVKIFDO-ZREKFDDQSA-N","5922684",NA,"PDBC56203","693440","Present"
-"[4-[(E)-(4-Nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone","","","","","","","","","","","","","","","","","","","","[4-[(E)-(4-Nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone","","C1=CC=C(C=C1)C2=C(C(=NN2C(=O)C3=CC=NC=C3)C4=CC=CC=C4)N=NC5=CC=C(C=C5)[N+](=O)[O-]","DMHDMJPCTDUJQH-UHFFFAOYSA-N","372607",NA,"PDBC56204","647968","Present"
-"[4-[(E)-(Carbamothioylhydrazono)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridyl]oxy-chloro-nickel","","","","","","","","","","","","","","","","","","","","[4-[(E)-(Carbamothioylhydrazono)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridyl]oxy-chloro-nickel","","","","",NA,"PDBC56205","613667","Present"
-"[4-[(E)-2-Phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-hexylcarbamate","","","","","","","","","","","","","","","","","","","","[4-[(~{E})-2-phenyl-1-[4-[2-(1-piperidyl)ethoxy]phenyl]p...","","CCCCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=CC=C2)C3=CC=C(C=C3)OCCN4CCCCC4","UNIFSAKSHJWPOQ-CDSHQWRTSA-N","155810225",NA,"PDBC56206","797676","Present"
-"[4-[(E)-3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoyl]phenyl]boronic acid","","","","","","","","","","","","","","","","","","","","(E)-4-(3-(3-hydroxy-4-methoxyphenyl)acryloyl)phenylboron...","","B(C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)O)(O)O","NQCNOAKPHBXAKX-KRXBUXKQSA-N","155806629",NA,"PDBC56207","777096","Present"
-"[4-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate","","","","","","","","","","","","","","","","","","","","[4-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate","","C1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)Cl","USUVUSDICXDFMW-GONBZBRSSA-N","6290176",NA,"PDBC56208","689964","Present"
-"[4-[(E)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate","","","","","","","","","","","","","","","","","","","","[4-[(E)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate","","COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3","LETXSODMMNFWLG-BEQMOXJMSA-N","5908528",NA,"PDBC56209","689965","Present"
-"[4-[(E)-3-Phenylprop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate","","","","","","","","","","","","","","","","","","","","[4-[(E)-3-Phenylprop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate","","C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3","XQZXRYFHQGNJJS-JYFOCSDGSA-N","5934069",NA,"PDBC56210","689963","Present"
-"[4-[(E)-[(3E)-2-Oxo-3-[[4-[(Z)-3-phenylprop-2-enoyl]oxyphenyl]methylidene]cyclohexylidene]methyl]phenyl] (Z)-3-phenylprop-2-enoate","","","","","","","","","","","","","","","","","","","","[4-[(E)-[(3E)-2-Oxo-3-[[4-[(Z)-3-phenylprop-2-enoyl]oxyphenyl]methylidene]cyclohexylidene]methyl]phenyl] (Z)-3-phenylprop-2-enoate","","C1CC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C=CC5=CC=CC=C5)C1","VJNNIRPNLDZGOG-DJUVNNEMSA-N","54608513",NA,"PDBC56211","693444","Present"
-"[4-[(E)-[(3E)-3-[[4-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]oxyphenyl]methylene]-2-oxo-cyclohexylidene]methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate","","","","","","","","","","","","","","","","","","","","[4-[(E)-[(3E)-3-[[4-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]oxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate","","C1CC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C=CC5=CC=C(C=C5)Cl)C1","TXTHEKPPALCTIX-IPOVBHIJSA-N","5977765",NA,"PDBC56212","699694","Present"
-"[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate;hydrochloride","","","","","","","","","","","","","","","","","","","","[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate;hydrochloride","","CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3)C1=O.Cl","DOOBVHPLQUNJTR-AIPOIGJLSA-N","5351440",NA,"PDBC56213","697443","Present"
-"[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclopentylidene]methyl]-2-methoxyphenyl] benzoate;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[[4-(benzoyloxy)-3-methoxyphenyl] meth...","","CN(C)CC1CCC(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C1=O.Cl","ZORIDTSLJBDWTB-PUBYZPQMSA-N","6516825",NA,"PDBC56214","639518","Present"
-"[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclopentylidene]methyl]phenoxy]methyl propanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","Cyclopentanone, 2-[(dimethylamino)methyl]-5- [[4-[(propi...","","CCC(=O)OCOC1=CC=C(C=C1)C=C2CCC(C2=O)CN(C)C.Cl","MORPKCHZPIUPET-KRWCAOSLSA-N","50988761",NA,"PDBC56215","639514","Present"
-"[4-[(S)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]phenyl]-piperidin-1-ylmethanone;oxalic acid","","","","","","","","","","","","","","","","","","","","[4-[(S)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]phenyl]-piperidin-1-ylmethanone;oxalic acid","","CC1CN(C(CN1C(C2=CC=C(C=C2)C(=O)N3CCCCC3)C4=CC(=CC=C4)OC)C)CC=C.C(=O)(C(=O)O)O","VIHREGITVXSMDG-COPRQCRLSA-N","398674",NA,"PDBC56216","708824","Present"
-"[4-[(Z)-(2-Acetamidofluoren-9-ylidene)methyl]phenyl]-trimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","N-(9-(4-(trimethylamino)benzylidene)-9H-fluoren-2-yl)ace...","","CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=CC4=CC=C(C=C4)[N+](C)(C)C.[I-]","OLOCRXQYWJSDSC-QLENHXGTSA-N","5351711",NA,"PDBC56217","24037","Present"
-"[4-[(Z)-1-[4-[2-(Diethylamino)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenyl] N-benzylcarbamate","","","","","","","","","","","","","","","","","","","","[4-[({Z})-1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-meth...","","CCN(CC)CCOC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC(=O)NCC4=CC=CC=C4","FIROTQROYZWXTK-DKJXEYTPSA-N","155810139",NA,"PDBC56218","798069","Present"
-"[4-[(Z)-1-[4-[3-(Dimethylamino)propoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenyl] N-hexylcarbamate","","","","","","","","","","","","","","","","","","","","[4-[({Z})-1-[4-[3-(dimethylamino)propoxy]phenyl]-3-(4-me...","","CCCCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCCN(C)C","ATTLAIRXORIGFJ-YLHCSOALSA-N","155808939",NA,"PDBC56219","798060","Present"
-"[4-[(Z)-2-(3,4,5-Trimethoxyphenyl)ethenyl]phenyl] acetate","","","","","","","","","","","","","","","","","","","","(Z) 4-Acetoxy-3',4',5'-trimethoxystilbene","","CC(=O)OC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","SYAOAXJVQVJDPD-WAYWQWQTSA-N","5388778",NA,"PDBC56220","638497","Present"
-"[4-[(Z)-2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenyl] 2,2-dimethylpropanoate;hydrochloride","","","","","","","","","","","","","","","","","","","","[4-[(Z)-2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenyl] 2,2-dimethylpropanoate;hydrochloride","","CC(C)(C)C(=O)OC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OCCN(C)C.Cl","JWRZOBQVDIBQCV-LXCLTORNSA-N","5466855",NA,"PDBC56221","644616","Present"
-"[4-[(Z)-[(2E)-2-Acetylimino-1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-methyl-5-oxo-imidazolidin-4-ylidene]methyl]phenyl] acetate","","","","","","","","","","","","","","","","","","","","[4-[(Z)-[2-Acetylimino-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-4-ylidene]methyl]phenyl] acetate","","CC(=O)N=C1N(C(=CC2=CC=C(C=C2)OC(=O)C)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O)C","SIFWQOSFAYNWCR-YTCVKNLFSA-N","9574812",NA,"PDBC56222","658495","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate;iodide","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)C(C)(C)C.[I-]","UOQWNJZTEKGMCJ-UHFFFAOYSA-N","376928",NA,"PDBC56223","658099","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide","","CCC(CC)C(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","YVXWVOAOXNCUGJ-UHFFFAOYSA-N","376934",NA,"PDBC56224","658102","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide","","CC(C)C(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","SFZRAPHJJZTXRR-UHFFFAOYSA-N","376926",NA,"PDBC56225","658098","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)CC4=CC=CC=C4.[I-]","UWXRCCFGVCZVMY-UHFFFAOYSA-N","376920",NA,"PDBC56226","658095","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3,3-dimethylbutanoate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3,3-dimethylbutanoate;iodide","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)CC(C)(C)C.[I-]","GBTLJPXIFNUGBK-UHFFFAOYSA-N","376932",NA,"PDBC56227","658101","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide","","CC(C)CC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","OSTSRYIENYLVOS-UHFFFAOYSA-N","376930",NA,"PDBC56228","658100","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl butanoate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl butanoate;iodide","","CCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","QJPAPOFVLRGBOK-UHFFFAOYSA-N","376940",NA,"PDBC56229","658107","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclohexanecarboxylate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclohexanecarboxylate;iodide","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)C4CCCCC4.[I-]","RDBNSTAXGFIDMC-UHFFFAOYSA-N","376922",NA,"PDBC56230","658096","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide","","CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)C4CC4.[I-]","OUTXLIVXOULASJ-UHFFFAOYSA-N","376924",NA,"PDBC56231","658097","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide","","CCCCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","LUYWSGDFNPTPIK-UHFFFAOYSA-N","24202442",NA,"PDBC56232","658104","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide","","CCCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","XRWGMNFIOSSSNG-UHFFFAOYSA-N","376938",NA,"PDBC56233","658105","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl octanoate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl octanoate;iodide","","CCCCCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","MHLVALSEYAFMST-UHFFFAOYSA-N","376936",NA,"PDBC56234","658103","Present"
-"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide","","","","","","","","","","","","","","","","","","","","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide","","CCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","BBAJSZQIFKAJBO-UHFFFAOYSA-N","24202443",NA,"PDBC56235","658106","Present"
-"[4-[1-(4-Benzoyloxy-3,5-dichlorophenyl)cyclohexyl]-2,6-dichlorophenyl] benzoate","","","","","","","","","","","","","","","","","","","","[4-[1-(4-Benzoyloxy-3,5-dichlorophenyl)cyclohexyl]-2,6-dichlorophenyl] benzoate","","C1CCC(CC1)(C2=CC(=C(C(=C2)Cl)OC(=O)C3=CC=CC=C3)Cl)C4=CC(=C(C(=C4)Cl)OC(=O)C5=CC=CC=C5)Cl","IMXAUQWFHVVJJB-UHFFFAOYSA-N","401671",NA,"PDBC56236","715401","Present"
-"[4-[1-(Naphthalene-1-carbonyl)piperidin-4-yl]piperidin-1-yl]-naphthalen-1-ylmethanone","","","","","","","","","","","","","","","","","","","","[4-[1-(Naphthalene-1-carbonyl)piperidin-4-yl]piperidin-1-yl]-naphthalen-1-ylmethanone","","C1CN(CCC1C2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CC6=CC=CC=C65","CBKLRDHNXGUJES-UHFFFAOYSA-N","364100",NA,"PDBC56237","629741","Present"
-"[4-[2,3,5,6-Tetraacetyloxy-4-[2,4-diacetyloxy-3,11a-di(butan-2-yl)-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]phenyl]phenyl] acetate","","","","","","","","","","","","","","","","","","","","[4-[2,3,5,6-Tetraacetyloxy-4-[2,4-diacetyloxy-3,11a-di(butan-2-yl)-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]phenyl]phenyl] acetate","","CCC(C)C1=C([N+]2(C(C(=O)N1OC(=O)C)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)OC(=O)C)OC(=O)C)C(C)CC)[O-])OC(=O)C","XJNAEQGZDXDILG-UHFFFAOYSA-N","404982",NA,"PDBC56238","721622","Present"
-"[4-[2,3-Diacetyloxy-4-[3,11a-di(butan-2-yl)-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-5,6-dihydroxyphenyl]phenyl] acetate","","","","","","","","","","","","","","","","","","","","NSC720789///NSC720790","","CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)O)O)C(C)CC)[O-])O","ULLCSSTZNGODKE-UHFFFAOYSA-N","404541",NA,"PDBC56239","720789///720790","Present"
-"[4-[2,8-Bis(3,5-dibromophenyl)pyrido[2,3-b][1,8]naphthyridin-5-yl]phenyl]-trimethylsilane","","","","","","","","","","","","","","","","","","","","[4-[2,8-Bis(3,5-dibromophenyl)pyrido[2,3-b][1,8]naphthyridin-5-yl]phenyl]-trimethylsilane","","C[Si](C)(C)C1=CC=C(C=C1)C2=C3C=CC(=NC3=NC4=C2C=CC(=N4)C5=CC(=CC(=C5)Br)Br)C6=CC(=CC(=C6)Br)Br","FGVVIYYLAPLBHV-UHFFFAOYSA-N","395734",NA,"PDBC56240","700534","Present"
-"[4-[2-[10-[2-[4-(4-Chlorobenzoyl)phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]-(4-chlorophenyl)methanone","","","","","","","","","","","","","","","","","","","","(4-(2-((10-((2-(4-(4-Chlorobenzoyl)phenoxy)ethyl)thio)decyl)thio)ethoxy)phenyl)(4-chlorophenyl)methanone","","C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl","QWOFFZNZBNSDPE-UHFFFAOYSA-N","371312",NA,"PDBC56241","645386","Present"
-"[4-[3-Ethoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl] 2,4-dimethoxybenzoate","","","","","","","","","","","","","","","","","","","","[4-[3-Ethoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl] 2,4-dimethoxybenzoate","","CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)OC)OC)NC(=O)C(F)(F)F","RHPRZCIGEXIAFY-UHFFFAOYSA-N","400739",NA,"PDBC56242","713170","Present"
-"[4-[3-Ethoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl] 4-methoxybenzoate","","","","","","","","","","","","","","","","","","","","[4-[3-Ethoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl] 4-methoxybenzoate","","CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)NC(=O)C(F)(F)F","QQLGGJVWQHSYBP-UHFFFAOYSA-N","400738",NA,"PDBC56243","713169","Present"
-"[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] benzoate","","","","","","","","","","","","","","","","","","","","[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] benzoate","","CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)C(CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C","SJYDNUGCKUNGTE-UHFFFAOYSA-N","6712839",NA,"PDBC56244","716698","Present"
-"[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] pentanoate","","","","","","","","","","","","","","","","","","","","[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] pentanoate","","CCCCC(=O)OC1=CC=C(C=C1)CC(C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)N)NC(=O)OC(C)(C)C","UEAVVEHNSUYIGM-UHFFFAOYSA-N","6712838",NA,"PDBC56245","716697","Present"
-"[4-[3-[[2-[[2-[[1-(Benzyloxycarbonylamino)-2-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-(tert-butoxycarbonylamino)-3-oxo-propyl]phenyl] benzoate","","","","","","","","","","","","","","","","","","","","[4-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-[[1-oxo-1-[[2-oxo-2-[[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]propan-2-yl]amino]propyl]phenyl] benzoate","","CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)NC(=O)OC(C)(C)C","GYMQNMPRWGBGKX-UHFFFAOYSA-N","382343",NA,"PDBC56246","669812","Present"
-"[4-[4-(Sulfanylmethyl)phenyl]phenyl]methanethiol","","","","","","","","","","","","","","","","","","","","1,1'-Biphenyl, 4,4'bis(thiomethyl)-","","C1=CC(=CC=C1CS)C2=CC=C(C=C2)CS","XFHIDPOTWOFDEM-UHFFFAOYSA-N","373780",NA,"PDBC56247","650744","Present"
-"[4-[6-(Methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate","","","","","","","","","","","","","","","","","","","","[4-[6-(Methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate","","CNC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)OC(=O)N(C)C","QZRJZBQJBAQFKI-UHFFFAOYSA-N","398314",NA,"PDBC56248","708028","Present"
-"[4-[6-(Methylcarbamoyloxy)imidazo[1,2-a]pyridin-2-yl]phenyl] N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[2-[4-(Methylcarbamoyloxy)phenyl]imidazo[2,1-f]pyridin-6-yl] n-methylcarbamate","","CNC(=O)OC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)OC(=O)NC","DHHHNNMKGBRDRQ-UHFFFAOYSA-N","398289",NA,"PDBC56249","708003","Present"
-"[4-[Amino(carboxy)methyl]phenyl]-trimethylazanium;chloride;hydrochloride","","","","","","","","","","","","","","","","","","","","NSC42325","","C[N+](C)(C)C1=CC=C(C=C1)C(C(=O)O)N.Cl.[Cl-]","LWVIEOCPDXXZCI-UHFFFAOYSA-N","24185732",NA,"PDBC56250","42325","Present"
-"[4-[Benzyl(ethyl)amino]-2-chlorophenyl]methanol","","","","","","","","","","","","","","","","","","","","NSC763134","","CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)CO)Cl","RBCJPGWVCSONPZ-UHFFFAOYSA-N","108293679",NA,"PDBC56251","763134","Present"
-"[4-[Benzyl(methyl)amino]-2-chlorophenyl]methanol","","","","","","","","","","","","","","","","","","","","NSC763133","","CN(CC1=CC=CC=C1)C2=CC(=C(C=C2)CO)Cl","CQTYZIMHKLUSPG-UHFFFAOYSA-N","108293649",NA,"PDBC56252","763133","Present"
-"[4-[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]carbamoyl]phenyl] acetate","","","","","","","","","","","","","","","","","","","","[4-[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]carbamoyl]phenyl] acetate","","CC(=O)OC1=CC=C(C=C1)C(=O)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","HACZACBRPGFKJN-BSAOIWFSSA-N","369924",NA,"PDBC56253","642291","Present"
-"[4-[[2-(1-Ethoxyindol-2-yl)-1,3-dioxolan-2-yl]methyl]piperidin-1-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[4-[[2-(1-Ethoxyindol-2-yl)-1,3-dioxolan-2-yl]methyl]-1-piperidyl]-phenyl-methanone","","CCON1C2=CC=CC=C2C=C1C3(OCCO3)CC4CCN(CC4)C(=O)C5=CC=CC=C5","JHLDIXUZPSNKGX-UHFFFAOYSA-N","398269",NA,"PDBC56254","707983","Present"
-"[4-[[2-(1H-Indol-2-yl)-1,3-dioxolan-2-yl]methyl]piperidin-1-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[4-[[2-(1h-Indol-2-yl)-1,3-dioxolan-2-yl]methyl]-1-piperidyl]-phenyl-methanone","","C1CN(CCC1CC2(OCCO2)C3=CC4=CC=CC=C4N3)C(=O)C5=CC=CC=C5","UUEFOWLBMYCSFM-UHFFFAOYSA-N","398268",NA,"PDBC56255","707982","Present"
-"[4-[[3-(Propanoylamino)phenyl]iminomethyl]phenyl] (Z)-3-phenylprop-2-enoate","","","","","","","","","","","","","","","","","","","","[4-[[3-(Propanoylamino)phenyl]iminomethyl]phenyl] (Z)-3-phenylprop-2-enoate","","CCC(=O)NC1=CC(=CC=C1)N=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3","RWRXELIVFRELIN-VSQCLKLISA-N","5472092",NA,"PDBC56256","716229","Present"
-"[4-[[3-[(4-Azanidylsulfonylphenyl)diazenyl]-8-[(2,2-dichloroacetyl)amino]-4-(2,2-dichloroacetyl)oxynaphthalen-1-yl]diazenyl]phenyl]sulfonylazanide;3,4-dimethyl-5H-1,2-oxazol-5-ide;silver","","","","","","","","","","","","","","","","","","","","[4-[[3-[(4-Azanidylsulfonylphenyl)diazenyl]-8-[(2,2-dichloroacetyl)amino]-4-(2,2-dichloroacetyl)oxynaphthalen-1-yl]diazenyl]phenyl]sulfonylazanide;3,4-dimethyl-5H-1,2-oxazol-5-ide;silver","","CC1=[C-]ON=C1C.CC1=[C-]ON=C1C.C1=CC2=C(C(=C1)NC(=O)C(Cl)Cl)C(=CC(=C2OC(=O)C(Cl)Cl)N=NC3=CC=C(C=C3)S(=O)(=O)[NH-])N=NC4=CC=C(C=C4)S(=O)(=O)[NH-].[Ag].[Ag]","OXNPTLFTKQGULA-UHFFFAOYSA-M","328256",NA,"PDBC56257","306393","Present"
-"[4-[[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]phenyl]-phenylmethanone;(Z)-but-2-enedioic acid","","","","","","","","","","","","","","","","","","","","3-Azido-10-[4-(4-(4-benzoylphenyl)methyl)-1-piperazinyl)...","","C1CN(CCN1CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6.C(=CC(=O)O)C(=O)O","CJWASMAFDPOOMA-BTJKTKAUSA-N","5351430",NA,"PDBC56258","676963","Present"
-"[4-[[6,7-Difluoro-2-(ethoxycarbonyl)quinoxaline-3-yl]amino]phenyl]acetic acid ethyl ester","","","","","","","","","","","","","","","","","","","","[4-[[6,7-Difluoro-2-(ethoxycarbonyl)quinoxaline-3-yl]amino]phenyl]acetic acid ethyl ester","","CCOC(=O)CC1=CC=C(C=C1)NC2=NC3=CC(=C(C=C3N=C2C(=O)OCC)F)F","JALCIRXCHWRWTH-UHFFFAOYSA-N","401468",NA,"PDBC56259","715126","Present"
-"[4-[[Dimethyl(octadecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octadecylazanium;bromide","","","","","","","","","","","","","","","","","","","","[4-[[Dimethyl(octadecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octadecylazanium;bromide","","CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]","KKQARPHWCOELTF-UHFFFAOYSA-M","361976",NA,"PDBC56260","625458","Present"
-"[4-[[Dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octylazanium;bromide","","","","","","","","","","","","","","","","","","","","[4-[[Dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octylazanium;bromide","","CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCC.[Br-]","ABSPSMBFONJZPC-UHFFFAOYSA-M","361972",NA,"PDBC56261","625456","Present"
-"[5'-[(E)-Hydroxyiminomethyl]-2,2'-spirobi[1,3-dihydroindene]-5-yl]methanol","","","","","","","","","","","","","","","","","","","","[5'-[(E)-Hydroxyiminomethyl]-2,2'-spirobi[1,3-dihydroindene]-5-yl]methanol","","C1C2=C(CC13CC4=C(C3)C=C(C=C4)C=NO)C=C(C=C2)CO","CHDRZHBBGGMLPG-RGVLZGJSSA-N","9556171",NA,"PDBC56262","670425","Present"
-"[5-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate","","","","","","","","","","","","","","","","","","","","1,2-O-Isopropylidene-.alpha.-D-glucofuranose-3-O-butyrate","","CCCC(=O)OC1C2C(OC1C(CO)O)OC(O2)(C)C","WFVFQUPBGWFLMB-UHFFFAOYSA-N","364487",NA,"PDBC56263","630832","Present"
-"[5-(1-Adamantyl)-2-benzyl-benzimidazol-1-yl]-phenyl-methanone","","","","","","","","","","","","","","","","","","","","[5-(1-Adamantyl)-2-benzyl-benzimidazol-1-yl]-phenyl-methanone","","C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N(C(=N5)CC6=CC=CC=C6)C(=O)C7=CC=CC=C7","DIVXMTQBAPMJPI-UHFFFAOYSA-N","394401",NA,"PDBC56264","697860","Present"
-"[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate","","","","","","","","","","","","","","","","","","","","1,2,5,6-di-O-isopropylidene-.alpha.-D-glucofuranose 3-O ...","","CCCC(=O)OC1C(OC2C1OC(O2)(C)C)C3COC(O3)(C)C","NJJNAEMZQBLYRV-UHFFFAOYSA-N","364051",NA,"PDBC56265","629690","Present"
-"[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] propane-1-sulfinate","","","","","","","","","","","","","","","","","","","","Propane-1-sulfinic acid 5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester","","CCCS(=O)OC1C(OC2C1OC(O2)(C)C)C3COC(O3)(C)C","MUSOGBBXUBSLSY-UHFFFAOYSA-N","382424",NA,"PDBC56266","669990","Present"
-"[5-(2,3-Dimethoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-4-yl] benzoate","","","","","","","","","","","","","","","","","","","","[1-(2,3-Dimethoxyphenyl)-6-methyl-6-azabicyclo[3.3.1]nonan-8-yl] benzoate","","CN1CC(C2(CCCC1C2)C3=C(C(=CC=C3)OC)OC)OC(=O)C4=CC=CC=C4","BEGZOARTFIXUBE-UHFFFAOYSA-N","398850",NA,"PDBC56267","709002","Present"
-"[5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]-phenylmethanone","","COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CC=CC=C4)OC","KBCJTMAJPDPBNT-UHFFFAOYSA-N","400819",NA,"PDBC56268","713325","Present"
-"[5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone","","","","","","","","","","","","","","","","","","","","[5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone","","COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CN=CC=C4)OC","QJEYUKRTDPMQOY-UHFFFAOYSA-N","401996",NA,"PDBC56269","715685","Present"
-"[5-(2,4-Dichloro-5-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-pyridin-3-ylmethanone","","","","","","","","","","","","","","","","","","","","5-(2,4-Dichloro-5-fluorophenyl)-3-phenyl-1-(pyridin-3-ylcarbonyl)-4,5-dihydro-1h-pyrazol-5-ol","","C1C(=NN(C1(C2=CC(=C(C=C2Cl)Cl)F)O)C(=O)C3=CN=CC=C3)C4=CC=CC=C4","DORPNFXHJMASRV-UHFFFAOYSA-N","401995",NA,"PDBC56270","715684","Present"
-"[5-(2,4-Dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]phosphonic acid","","","","","","","","","","","","","","","","","","","","NSC677989///NSC677990","","C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)P(=O)(O)O)O","GLFLOZNLDYSPKW-UHFFFAOYSA-N","386248",NA,"PDBC56271","677989///677990","Present"
-"[5-(2,4-Dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-ethoxy-phosphinic acid","","","","","","","","","","","","","","","","","","","","[5-(2,4-Dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-ethoxy-phosphinic acid","","CCOP(=O)(C1C(OC(C1O)N2C=CC(=O)NC2=O)CO)O","YVZUBGORQAUNSD-UHFFFAOYSA-N","386247",NA,"PDBC56272","677988","Present"
-"[5-(2-Amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)oxolan-2-yl]methyl hexadecanoate","","","","","","","","","","","","","","","","","","","","[5-(2-Amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)oxolan-2-yl]methyl hexadecanoate","","CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC","WRZLURWOAMZPKG-UHFFFAOYSA-N","5254146",NA,"PDBC56273","78312","Present"
-"[5-(2-Amino-8-bromo-6-hydroxy-purin-9-yl)-3,4-bis(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate","","","","","","","","","","","","","","","","","","","","[5-(2-Amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate","","CC(C)C(=O)OCC1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)N=C2Br)OC(=O)C(C)C)OC(=O)C(C)C","XMFJWBHLCKHRAR-UHFFFAOYSA-N","135409218",NA,"PDBC56274","668826","Present"
-"[5-(2-Aminoethylamino)-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone;hydrochloride","","","","","","","","","","","","","","","","","","","","[5-(2-Aminoethylamino)-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone;hydrochloride","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)NCCN)CCl)OC)OC.Cl","UTDYCBKRVFFDFU-UHFFFAOYSA-N","395457",NA,"PDBC56275","700012","Present"
-"[5-(2-Aminopropanoyloxymethyl)-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-aminopropanoate;2,2,2-trifluoroacetic acid","","","","","","","","","","","","","","","","","","","","L-Alanine, (dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrro...","","CC(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)COC(=O)C(C)N)N.C(=O)(C(F)(F)F)O","XFWXTQGTVDIXST-UHFFFAOYSA-N","435620",NA,"PDBC56276","372848","Present"
-"[5-(3,4-Dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;perchlorate","","","","","","","","","","","","","","","","","","","","[5-(3,4-Dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;perchlorate","","C[N+](=C1N=C(SS1)N2CCC3=CC=CC=C3C2)C.[O-]Cl(=O)(=O)=O","JIKQJTZMKBVZFA-UHFFFAOYSA-M","24202071",NA,"PDBC56277","622605","Present"
-"[5-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[5-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone","","COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=CC=C4)OC","OVKHNTPJMKEIAV-UHFFFAOYSA-N","45029306",NA,"PDBC56278","746068","Present"
-"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)O)O","MMRUODDNUXWTDB-UHFFFAOYSA-N","394833",NA,"PDBC56279","698685","Present"
-"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)O","YPAIZYVYJUAHGL-UHFFFAOYSA-N","398531",NA,"PDBC56280","708446","Present"
-"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)O","BZYLGAQIUANYBL-UHFFFAOYSA-N","394835",NA,"PDBC56281","698687","Present"
-"[5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [3-[[5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [3-[[5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl]","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)OCC(COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)CO)OCCCCCCCCCCCCCCCCCC)O","ZUDHEYIJETYJLJ-UHFFFAOYSA-N","394834",NA,"PDBC56282","698686","Present"
-"[5-(4-Bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(3-(4-bromophenyl)-5-(1,3-diphenyl-1H-pyrazol-4-yl)-4,5-...","","COC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6","RFXQPJCOAIBJGA-UHFFFAOYSA-N","155808132",NA,"PDBC56283","759216","Present"
-"[5-(4-Methoxybenzoyl)-2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-en-4-yl]-(4-methoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[5-(4-Methoxybenzoyl)-2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-en-4-yl]-(4-methoxyphenyl)methanone","","COC1=CC=C(C=C1)C(=O)C2=NON3C2(O3)C(=O)C4=CC=C(C=C4)OC","FVQGMXXUZFHDKN-UHFFFAOYSA-N","225006",NA,"PDBC56284","14040","Present"
-"[5-(5-Amino-4-cyano-oxazol-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[5-(5-Amino-4-cyano-oxazol-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate","","C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C3=NC(=C(O3)N)C#N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5","AAMHRRKVUVKDOK-UHFFFAOYSA-N","369087",NA,"PDBC56285","640644","Present"
-"[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[4-(hexadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[4-(hexadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate","","CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)CC)O","WJIWKWJSSOYDOX-UHFFFAOYSA-N","390210",NA,"PDBC56286","687367","Present"
-"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate","","","","","","","","","","","","","","","","","","","","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate","","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OC2CC(OC2CO)N3C=C(C(=O)NC3=O)F)C)C","BSJWALRNHXFAOI-ZEHYRTHWSA-N","5468408",NA,"PDBC56287","669727","Present"
-"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [5-[5-fluoro-4-(hexadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [5-[5-fluoro-4-(hexadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate","","CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)F)O","PNVSGXBBZCZTQV-UHFFFAOYSA-N","387052",NA,"PDBC56288","680420","Present"
-"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate","","","","","","","","","","","","","","","","","","","","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate","","CCCC(=O)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)F","GRNXEUAKNOKWFO-UHFFFAOYSA-N","379284",NA,"PDBC56289","663790","Present"
-"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate","","CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)OC(=O)C","BITODDDCTQEZGE-UHFFFAOYSA-N","390212",NA,"PDBC56290","687369","Present"
-"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate","","CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CCC(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)OC(=O)C","BGFMCUBCGRHTQG-UHFFFAOYSA-N","396087",NA,"PDBC56291","701599","Present"
-"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2-hydroxy-3-octadecoxypropyl) hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2-hydroxy-3-octadecoxypropyl) hydrogen phosphate","","CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)O","ZYZZRXMFGNKWAU-UHFFFAOYSA-N","387050",NA,"PDBC56292","680418","Present"
-"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O","QTEFFTASORIXEW-UHFFFAOYSA-N","390213",NA,"PDBC56293","687370","Present"
-"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate","","","","","","","","","","","","","","","","","","","","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate","","C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)O","IBTKQXCOBNNMMN-UHFFFAOYSA-N","382829",NA,"PDBC56294","670653","Present"
-"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate","","","","","","","","","","","","","","","","","","","","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate","","CCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O","HJDPVVLZVFWYGR-UHFFFAOYSA-N","379285",NA,"PDBC56295","663791","Present"
-"[5-(6-Amino-2-ethynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate","","","","","","","","","","","","","","","","","","","","[5-(6-Amino-2-ethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate","","C#CC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N","LRSLPIPDJFGDOM-UHFFFAOYSA-N","390226",NA,"PDBC56296","687510","Present"
-"[5-(6-Amino-2-iodopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate","","","","","","","","","","","","","","","","","","","","[5-(6-Amino-2-iodo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate","","C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COS(=O)(=O)N)O)O)I)N","AOGXNAGQTWBXDS-UHFFFAOYSA-N","390225",NA,"PDBC56297","687509","Present"
-"[5-(6-Amino-2-prop-2-ynylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-(6-Amino-2-prop-2-ynylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate","","C#CCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","AGCPJBKNYMCVLL-UHFFFAOYSA-N","374634",NA,"PDBC56298","652613","Present"
-"[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate","","","","","","","","","","","","","","","","","","","","[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate","","CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)OS(=O)(=O)C","HCVLSAYBYNJZIU-UHFFFAOYSA-N","357473",NA,"PDBC56299","616358","Present"
-"[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-methoxymethanethione","","","","","","","","","","","","","","","","","","","","[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-methoxymethanethione","","CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)OC(=S)OC","ZNDKKCUUVXIWFC-UHFFFAOYSA-N","357474",NA,"PDBC56300","616359","Present"
-"[5-(6-Aminopurin-9-yl)-2-oxolanyl]methanol","","","","","","","","","","","","","","","","","","","","2',3'-DIDEOXYADENOSINE","","C1CC(OC1CO)N2C=NC3=C(N=CN=C32)N","WVXRAFOPTSTNLL-UHFFFAOYSA-N","263976",NA,"PDBC56301","98700","Present"
-"[5-(6-Aminopurin-9-yl)-4-benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxypropoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl] benzoate","","","","","","","","","","","","","","","","","","","","[5-(6-Aminopurin-9-yl)-4-benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]phosphoryl]oxymethyl]oxolan-3-yl] benzoate","","CC(=O)OCC1C(C(C(C(O1)OCCCOP(=O)(OCCC#N)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C","UIADPMHNUQDCHC-UHFFFAOYSA-N","393718",NA,"PDBC56302","696236","Present"
-"[5-(6-Azido-5-bromo-2,4-dioxo-1,3-diazinan-1-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methyl carbonate","","","","","","","","","","","","","","","","","","","","[5-(6-Azido-5-bromo-2,4-dioxo-1,3-diazinan-1-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methyl carbonate","","COC(=O)OCC1C(CC(O1)N2C(C(C(=O)NC2=O)Br)N=[N+]=[N-])OC(=O)OC","BRMGQHZGXMOYNS-UHFFFAOYSA-N","371921",NA,"PDBC56303","646572","Present"
-"[5-(6-Azido-5-iodo-2,4-dioxo-1,3-diazinan-1-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methyl carbonate","","","","","","","","","","","","","","","","","","","","[5-(6-Azido-5-iodo-2,4-dioxo-1,3-diazinan-1-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methyl carbonate","","COC(=O)OCC1C(CC(O1)N2C(C(C(=O)NC2=O)I)N=[N+]=[N-])OC(=O)OC","CBHSUWKLYABLTC-UHFFFAOYSA-N","371922",NA,"PDBC56304","646573","Present"
-"[5-(7-Aminooxazolo[5,4-d]pyrimidin-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[5-(7-Aminooxazolo[5,4-d]pyrimidin-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate","","C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C3=NC4=C(N=CN=C4O3)N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","SRASKKOEPQRWKJ-UHFFFAOYSA-N","377503",NA,"PDBC56305","658987","Present"
-"[5-(Acetyl-carboxy-amino)-1-methyl-2-methylsulfanyl-6-oxo-1,6-dihydro-pyrimidin-4-yl]-carbamic acid","","","","","","","","","","","","","","","","","","","","[5-(Acetyl-carboxy-amino)-1-methyl-2-methylsulfanyl-6-oxo-1,6-dihydro-pyrimidin-4-yl]-carbamic acid","","CC(=O)N(C1=C(N=C(N(C1=O)C)SC)NC(=O)O)C(=O)O","CGYPHCVZVJXNIB-UHFFFAOYSA-N","371478",NA,"PDBC56306","645752","Present"
-"[5-(Acetyloxymethyl)furan-2-yl]-chloromercury","","","","","","","","","","","","","","","","","","","","NSC19502","","CC(=O)OCC1=CC=C(O1)[Hg]Cl","ANMDNFSNUPRPBE-UHFFFAOYSA-M","409204",NA,"PDBC56307","19502","Present"
-"[5-(Benzyloxycarbonylamino)-4-decanoyloxy-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl decanoate","","","","","","","","","","","","","","","","","","","","[4-Decanoyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl decanoate","","CCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)CCCCCCCCC)O","DIAVIKUNHICSLA-UHFFFAOYSA-N","365443",NA,"PDBC56308","633068","Present"
-"[5-(Benzyloxycarbonylamino)-4-dodecanoyloxy-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dodecanoate","","","","","","","","","","","","","","","","","","","","[4-Dodecanoyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl dodecanoate","","CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)CCCCCCCCCCC)O","AURILSGLSMUQHO-UHFFFAOYSA-N","365444",NA,"PDBC56309","633069","Present"
-"[5-(Benzyloxycarbonylamino)-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-4-tetradecanoyloxy-tetrahydropyran-2-yl]methyl tetradecanoate","","","","","","","","","","","","","","","","","","","","[6-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-5-(phenylmethoxycarbonylamino)-4-tetradecanoyloxyoxan-2-yl]methyl tetradecanoate","","CCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)CCCCCCCCCCCCC)O","HSVZHNWYWQXMTN-UHFFFAOYSA-N","365445",NA,"PDBC56310","633070","Present"
-"[5-(Carbamoyloxymethyl)-1,3-diphenyl-pyrazol-4-yl]methyl carbamate","","","","","","","","","","","","","","","","","","","","[5-(Carbamoyloxymethyl)-1,3-diphenyl-pyrazol-4-yl]methyl carbamate","","C1=CC=C(C=C1)C2=NN(C(=C2COC(=O)N)COC(=O)N)C3=CC=CC=C3","FYNCVWMPCPGNDH-UHFFFAOYSA-N","383139",NA,"PDBC56311","671180","Present"
-"[5-(Dimethylamino)-1,3-dioxo-isoindolin-2-yl] 4-nitrobenzenesulfonate","","","","","","","","","","","","","","","","","","","","[5-(Dimethylamino)-1,3-dioxo-isoindolin-2-yl] 4-nitrobenzenesulfonate","","CN(C)C1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]","ZARHGZTZPVHGBZ-UHFFFAOYSA-N","364535",NA,"PDBC56312","630957","Present"
-"[5-(Ethylamino)-1,3-dioxo-isoindolin-2-yl] methanesulfonate","","","","","","","","","","","","","","","","","","","","[5-(Ethylamino)-1,3-dioxo-isoindolin-2-yl] methanesulfonate","","CCNC1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C","JSRGHPIOGQCIOH-UHFFFAOYSA-N","343514",NA,"PDBC56313","382975","Present"
-"[5-(N-(2-Ethoxy-2-oxoethyl)anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide","","","","","","","","","","","","","","","","","","","","[5-(N-(2-Ethoxy-2-oxoethyl)anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide","","CCOC(=O)CN(C1=CC=CC=C1)C2=NC(=[N+](C)C)SS2.[Br-]","IXIVRICBGRJLJE-UHFFFAOYSA-M","360463",NA,"PDBC56314","622597","Present"
-"[5-(N-[(Z)-N-(Dimethylcarbamothioyl)-C-methylsulfanylcarbonimidoyl]anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[5-(N-[(Z)-N-(Dimethylcarbamothioyl)-C-methylsulfanylcarbonimidoyl]anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide","","CN(C)C(=S)N=C(N(C1=CC=CC=C1)C2=NC(=[N+](C)C)SS2)SC.[I-]","NXCIIUUQQOTZQO-ULQCMBKMSA-M","9569862",NA,"PDBC56315","622588","Present"
-"[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone","","","","","","","","","","","","","","","","","","","","1H-Benz[e]indol-5-amine, 1-(chloromethyl)-2,3-dihydro-3-...","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl)OC)OC","BMQWJFCUALXVCK-UHFFFAOYSA-N","391700",NA,"PDBC56316","691245","Present"
-"[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone;hydrochloride","","","","","","","","","","","","","","","","","","","","[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone;hydrochloride","","CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl.Cl","LZUHGRLELZQIIR-UHFFFAOYSA-N","393069",NA,"PDBC56317","694455","Present"
-"[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[6-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone;hydrochloride","","","","","","","","","","","","","","","","","","","","[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[6-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone;hydrochloride","","CN(C)CCOC1=C(C=C2C=C(NC2=C1)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl)OC.Cl","UIXKWCJLBJIJOK-UHFFFAOYSA-N","395183",NA,"PDBC56318","699482","Present"
-"[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[7-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone;hydrochloride","","","","","","","","","","","","","","","","","","","","[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[7-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone;hydrochloride","","CN(C)CCOC1=C2C(=CC(=C1)OC)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl.Cl","HSDBRFQYJNHCRU-UHFFFAOYSA-N","395455",NA,"PDBC56319","700011","Present"
-"[5-Amino-1-(p-tolyl)-1H-imidazol-4-yl](imino)acetonitrile","","","","","","","","","","","","","","","","","","","","[5-Amino-1-(p-tolyl)-1H-imidazol-4-yl](imino)acetonitrile","","CC1=CC=C(C=C1)N2C=NC(=C2N)C(=N)C#N","TYZNVRLNICTQCG-UHFFFAOYSA-N","382604",NA,"PDBC56320","670245","Present"
-"[5-Amino-3-(2-methoxyphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[5-Amino-3-(2-methoxyphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone","","COC1=CC=CC=C1N2C=NC(=C2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N","CWYDNXXHKXLXIU-UHFFFAOYSA-N","54613334",NA,"PDBC56321","748266","Present"
-"[5-Amino-3-(4-methylpiperazin-1-yl)indazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(5-amino-3-(4-methylpiperazin-1-yl)-1H-indazol-1-yl)(3,4...","","CN1CCN(CC1)C2=NN(C3=C2C=C(C=C3)N)C(=O)C4=CC(=C(C(=C4)OC)OC)OC","GETQIEJSYMKBAW-UHFFFAOYSA-N","155812002",NA,"PDBC56322","782250","Present"
-"[5-Amino-4-dodecanoyloxy-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dodecanoate","","","","","","","","","","","","","","","","","","","","[5-Amino-4-dodecanoyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxan-2-yl]methyl dodecanoate","","CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)CCCCCCCCCCC)O","LDLCHPSKVZAGIV-UHFFFAOYSA-N","365440",NA,"PDBC56323","633065","Present"
-"[5-Amino-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl dodecanoate","","","","","","","","","","","","","","","","","","","","[5-Amino-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl dodecanoate","","CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)O)O","NQLZXADLJIRZDJ-UHFFFAOYSA-N","365435",NA,"PDBC56324","633060","Present"
-"[5-Amino-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-4-octanoyloxy-tetrahydropyran-2-yl]methyl octanoate","","","","","","","","","","","","","","","","","","","","[5-Amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-octanoyloxyoxan-2-yl]methyl octanoate","","CCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)CCCCCCC)O","UNEUUZDHCMVYSI-UHFFFAOYSA-N","365438",NA,"PDBC56325","633063","Present"
-"[5-Amino-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-4-tetradecanoyloxy-tetrahydropyran-2-yl]methyl tetradecanoate","","","","","","","","","","","","","","","","","","","","[5-Amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tetradecanoyloxyoxan-2-yl]methyl tetradecanoate","","CCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)CCCCCCCCCCCCC)O","DISRBWUMDCYDLU-UHFFFAOYSA-N","365441",NA,"PDBC56326","633066","Present"
-"[5-Amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxan-2-yl]methyl hexadecanoate","","","","","","","","","","","","","","","","","","","","[5-Amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxan-2-yl]methyl hexadecanoate","","CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)O)O","HZERBULLLGRKJC-UHFFFAOYSA-N","363726",NA,"PDBC56327","628904","Present"
-"[5-Benzoyl-1-(dimethylamino)-4-hydroxy-6-(1-piperidyl)indol-7-yl] acetate","","","","","","","","","","","","","","","","","","","","[5-Benzoyl-1-(dimethylamino)-4-hydroxy-6-(1-piperidyl)indol-7-yl] acetate","","CC(=O)OC1=C(C(=C(C2=C1N(C=C2)N(C)C)O)C(=O)C3=CC=CC=C3)N4CCCCC4","OHKILEIVRQBSHW-UHFFFAOYSA-N","389280",NA,"PDBC56328","685033","Present"
-"[5-Benzoyl-1-[(2-nitrophenyl)methyl]-4,5-dihydrotriazol-4-yl]-phenyl-methanone","","","","","","","","","","","","","","","","","","","","[5-Benzoyl-1-[(2-nitrophenyl)methyl]-4,5-dihydrotriazol-4-yl]-phenyl-methanone","","C1=CC=C(C=C1)C(=O)C2C(N(N=N2)CC3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=CC=C4","KRQXLZAGXOZRLL-UHFFFAOYSA-N","374546",NA,"PDBC56329","652296","Present"
-"[5-Benzoyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]-phenyl-methanone","","","","","","","","","","","","","","","","","","","","[5-Benzoyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]-phenyl-methanone","","C1=CC=C(C=C1)C(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4","SLHVFDIWOBMYNL-UHFFFAOYSA-N","374545",NA,"PDBC56330","652295","Present"
-"[5-Benzoyl-1-[[2-[(4,5-dibenzoyltriazol-1-yl)methyl]phenyl]methyl]triazol-4-yl]-phenyl-methanone","","","","","","","","","","","","","","","","","","","","[5-Benzoyl-1-[[2-[(4,5-dibenzoyltriazol-1-yl)methyl]phenyl]methyl]triazol-4-yl]-phenyl-methanone","","C1=CC=C(C=C1)C(=O)C2=C(N(N=N2)CC3=CC=CC=C3CN4C(=C(N=N4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7","CIHZZCRXWAMDJF-UHFFFAOYSA-N","374542",NA,"PDBC56331","652292","Present"
-"[5-Bromo-2-(bromomethyl)-4-hydroxy-6-methoxyoxan-3-yl] benzoate","","","","","","","","","","","","","","","","","","","","[5-Bromo-2-(bromomethyl)-4-hydroxy-6-methoxyoxan-3-yl] benzoate","","COC1C(C(C(C(O1)CBr)OC(=O)C2=CC=CC=C2)O)Br","JOGIRHAQWGMTAO-UHFFFAOYSA-N","359625",NA,"PDBC56332","620684","Present"
-"[5-Bromo-2-(bromomethyl)-6-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate","","","","","","","","","","","","","","","","","","","","[5-Bromo-2-(bromomethyl)-6-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate","","CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC(C2Br)OC)CBr)OC(=O)C3=CC=CC=C3","XKZXMQKZUXHTCT-UHFFFAOYSA-N","359632",NA,"PDBC56333","620691","Present"
-"[5-Bromo-3-(1-phenyl-1H-pyrazol-4-yl)-1-benzofuran-2-yl](phenyl)methanone","","","","","","","","","","","","","","","","","","","","[5-Bromo-3-(1-phenyl-1H-pyrazol-4-yl)-1-benzofuran-2-yl](phenyl)methanone","","C1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C4=CN(N=C4)C5=CC=CC=C5","MJQZDXGASZVADF-UHFFFAOYSA-N","361384",NA,"PDBC56334","624408","Present"
-"[5-Hydroxy-2-(hydroxymethyl)-4-oxo-8,11-dihydro-4H-oxepino[2,3-h]chromen-9-yl]methyl hexopyranoside","","","","","","","","","","","","","","","","","","","","5-Hydroxy-2-(hydroxymethyl)-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one","","C1C=C(COC2=C1C3=C(C(=C2)O)C(=O)C=C(O3)CO)COC4C(C(C(C(O4)CO)O)O)O","KXDYPPVOPZKXMX-UHFFFAOYSA-N","373657",NA,"PDBC56335","650387","Present"
-"[5-Hydroxy-2-[(E)-[4-(2-pyridylsulfamoyl)phenyl]azo]phenyl]urea","","","","","","","","","","","","","","","","","","","","[5-Hydroxy-2-[(E)-[4-(2-pyridylsulfamoyl)phenyl]azo]phenyl]urea","","C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)O)NC(=O)N","FMEWCSJBOPKQFH-UHFFFAOYSA-N","366842",NA,"PDBC56336","635818","Present"
-"[5-Methyl-4-(methylcarbamoyloxymethyl)-1-phenyl-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate","","","","","","","","","","","","","","","","","","","","[5-Methyl-4-(methylcarbamoyloxymethyl)-1-phenyl-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate","","CC1C(=C(CN1C2=CC=CC=C2)COC(=O)NC)COC(=O)NC","WFFLUNZGDFAGMD-UHFFFAOYSA-N","376894",NA,"PDBC56337","658080","Present"
-"[5-Methyl-4-(phenylcarbamothioyl)-2-propan-2-ylphenyl] N-naphthalen-1-ylcarbamate","","","","","","","","","","","","","","","","","","","","[5-Methyl-4-(phenylcarbamothioyl)-2-propan-2-ylphenyl] N-naphthalen-1-ylcarbamate","","CC1=CC(=C(C=C1C(=S)NC2=CC=CC=C2)C(C)C)OC(=O)NC3=CC=CC4=CC=CC=C43","WRUPPPAGTCJINN-UHFFFAOYSA-N","5471253",NA,"PDBC56338","710006","Present"
-"[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one","","","","","","","","","","","","","","","","","","","","[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6","","CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C4=C3C(=CC=C4)NC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NC(=NC(=C6)C)C","LQOMYOJYLKGJCF-UHFFFAOYSA-N","331402",NA,"PDBC56339","323721","Present"
-"[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one","","","","","","","","","","","","","","","","","","","","[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimeth","","CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C4=C3C(=CC=C4)NC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NN=C(S6)C","ODDSNXMAAJTFSD-UHFFFAOYSA-N","331404",NA,"PDBC56340","323722","Present"
-"[5-[1-Azido-2-(trifluoromethylsulfonyloxy)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate","","","","","","","","","","","","","","","","","","","","NSC685408///NSC685409","","CC1(OC2C(C(OC2O1)C(COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])OC(=O)C3=CC=CC=C3)C","QXXOGLAPGHORCN-UHFFFAOYSA-N","389363",NA,"PDBC56341","685408///685409","Present"
-"[5-[2-(3,4-Dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-1-benzofuran-2-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[5-[2-(3,4-Dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-1-benzofuran-2-yl]-phenylmethanone","","CC1=C(OC2=CC(=C(C=C12)C3=NC4=CC=CC=C4SC(C3)C5=CC(=C(C=C5)OC)OC)O)C(=O)C6=CC=CC=C6","YPHWOVFZTOULOO-UHFFFAOYSA-N","397589",NA,"PDBC56342","705930","Present"
-"[5-[3-[(9-Dimethylazaniumylidenebenzo[a]phenoxazin-5-yl)amino]propylamino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium;chloride","","","","","","","","","","","","","","","","","","","","[5-[3-[(9-Dimethylazaniumylidenebenzo[a]phenoxazin-5-yl)amino]propylamino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium;chloride","","C[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NCCCNC5=CC6=C(C7=CC=CC=C75)N=C8C=CC(=[N+](C)C)C=C8O6)OC2=C1)C.[Cl-]","HOTPTFYYKLGCNX-UHFFFAOYSA-O","354083",NA,"PDBC56343","604558","Present"
-"[5-[4-(Octadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-[4-(Octadecanoylamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate","","CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CCC(O2)COP(=O)(O)O","XQIUJOJBSOQWLD-UHFFFAOYSA-N","390208",NA,"PDBC56344","687365","Present"
-"[5-[4-[5-(Carbamothioylamino)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]thiourea","","","","","","","","","","","","","","","","","","","","[5-[4-[5-(Carbamothioylamino)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]thiourea","","C1=CC(=CC=C1C2=NN=C(O2)NC(=S)N)C3=NN=C(O3)NC(=S)N","MCXWPAFPJJNOND-UHFFFAOYSA-N","3004340",NA,"PDBC56345","646790","Present"
-"[5-[5-(1-Methylpyrrol-2-yl)selenophen-2-yl]selenophen-2-yl]methanol","","","","","","","","","","","","","","","","","","","","[5-[5-(1-Methylpyrrol-2-yl)selenophen-2-yl]selenophen-2-yl]methanol","","CN1C=CC=C1C2=CC=C([Se]2)C3=CC=C([Se]3)CO","HIPHYSSYVRACOW-UHFFFAOYSA-N","399995",NA,"PDBC56346","711174","Present"
-"[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate","","CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)O)O","JKJDDEJFWSHVID-UHFFFAOYSA-N","390211",NA,"PDBC56347","687368","Present"
-"[5-[5-[5-(Hydroxymethyl)selenophen-2-yl]selenophen-2-yl]-1-methylpyrrol-2-yl]methanol","","","","","","","","","","","","","","","","","","","","[5-[5-[5-(Hydroxymethyl)selenophen-2-yl]selenophen-2-yl]-1-methyl-pyrrol-2-yl]methanol","","CN1C(=CC=C1C2=CC=C([Se]2)C3=CC=C([Se]3)CO)CO","VQZPHUWWOQKOBK-UHFFFAOYSA-N","399993",NA,"PDBC56348","711172","Present"
-"[5-[5-[5-[5-(Aminomethyl)-2-thienyl]-2-thienyl]-2-thienyl]-2-thienyl]methanamine","","","","","","","","","","","","","","","","","","","","[2,2':5',2'':5'',2'''-Quaterthiophene]-5,5'''-dimethanamine","","C1=C(SC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)CN)CN","LHUKMMGFRNAJEZ-UHFFFAOYSA-N","392006",NA,"PDBC56349","691803","Present"
-"[5-[6-(2-Furylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid","","","","","","","","","","","","","","","","","","","","[5-[6-(2-Furylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid","","C1=COC(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O","WDFCXEWULSQTFC-UHFFFAOYSA-N","324451",NA,"PDBC56350","289900","Present"
-"[5-[6-Amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-[6-Amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate","","C1=CC(=CC=C1CSC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O)N)[N+](=O)[O-]","PEOVXWAHIDXYLT-UHFFFAOYSA-N","374643",NA,"PDBC56351","652622","Present"
-"[5-[6-Amino-2-[(E)-5-iodopent-4-enyl]sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate","","","","","","","","","","","","","","","","","","","","[5-[6-Amino-2-[(E)-5-iodopent-4-enyl]sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate","","C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)SCCCC=CI)N","CSFPGMHPGZJJPP-DUXPYHPUSA-N","5467461",NA,"PDBC56352","652615","Present"
-"[5-[Bis(1,4-dihydroxy-9,10-dioxo-2-anthryl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[5-[Bis(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OC2C3C(OC2C(C4=CC(=C5C(=C4O)C(=O)C6=CC=CC=C6C5=O)O)C7=CC(=C8C(=C7O)C(=O)C9=CC=CC=C9C8=O)O)OC(O3)(C)C","DSIZGKXYNDXBHZ-UHFFFAOYSA-N","378631",NA,"PDBC56353","661423","Present"
-"[5-[Bis(dimethylamino)methylideneamino]-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide","","","","","","","","","","","","","","","","","","","","[5-[Bis(dimethylamino)methylideneamino]-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide","","CN(C)C(=NC1=NC(=[N+](C)C)SS1)N(C)C.[Br-]","NNORPIMJIJHDIS-UHFFFAOYSA-M","360512",NA,"PDBC56354","622649","Present"
-"[5-[Cyclohexyl(methyl)amino]-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide","","","","","","","","","","","","","","","","","","","","[5-[Cyclohexyl(methyl)amino]-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide","","CN(C1CCCCC1)C2=NC(=[N+](C)C)SS2.[I-]","IAILPUOPNGCTHX-UHFFFAOYSA-M","360545",NA,"PDBC56355","622679","Present"
-"[5-[Tert-butyl(dimethyl)silyl]oxy-3-imino-1-oxido-2,1-benzoxazin-1-ium-7-yl]methanol","","","","","","","","","","","","","","","","","","","","[5-[Tert-butyl(dimethyl)silyl]oxy-3-imino-1-oxido-2,1-benzoxazin-1-ium-7-yl]methanol","","CC(C)(C)[Si](C)(C)OC1=CC(=CC2=[N+](OC(=N)C=C12)[O-])CO","IOKQKPQVQUJKKT-UHFFFAOYSA-N","378569",NA,"PDBC56356","661209","Present"
-"[5-[[2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate","","","","","","","","","","","","","","","","","","","","[5-[[2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate","","CC(C)C(C(C)O)(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)COC(=O)C(C(C)C)(C(C)O)O)O","HTLCSRQXNUPRBQ-UHFFFAOYSA-N","353025",NA,"PDBC56357","600018","Present"
-"[5-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate","","","","","","","","","","","","","","","","","","","","[5-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbony","","CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C(CC7=CC=CC=C7)NC(=O)OC(C)(C)C","NHRGBYUCNXYHPJ-UHFFFAOYSA-N","354774",NA,"PDBC56358","607316","Present"
-"[6,11-Diacetyloxy-5-[(3-methylphenyl)methyl]benzo[b]carbazol-2-yl] acetate","","","","","","","","","","","","","","","","","","","","[6,11-Diacetyloxy-5-[(3-methylphenyl)methyl]benzo[b]carbazol-2-yl] acetate","","CC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)OC(=O)C)C4=C(C5=CC=CC=C5C(=C42)OC(=O)C)OC(=O)C","ARIJSAZJBZZOOY-UHFFFAOYSA-N","404308",NA,"PDBC56359","720490","Present"
-"[6,6'']biflavone","","","","","","","","","","","","","","","","","","","","[6,6'']biflavone","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)OC(=CC5=O)C6=CC=CC=C6","RFRYEGZKLVLBMV-UHFFFAOYSA-N","381598",NA,"PDBC56360","668407","Present"
-"[6,6-Bis(phenylmethoxy)-8-oxa-3-azatricyclo[3.2.1.02,4]octan-3-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[6,6-Bis(phenylmethoxy)-8-oxa-3-azatricyclo[3.2.1.02,4]octan-3-yl]-phenylmethanone","","C1C2C3C(N3C(=O)C4=CC=CC=C4)C(C1(OCC5=CC=CC=C5)OCC6=CC=CC=C6)O2","NIPWFCUUSJBQEE-UHFFFAOYSA-N","368694",NA,"PDBC56361","639826","Present"
-"[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-(furan-2-yl)methanone","","","","","","","","","","","","","","","","","","","","2-carboxy-(2'-furyl)-6,7-dichloro-3-trifluoromethylquino...","","C1=COC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)Cl)Cl)[O-])C(F)(F)F","XOUTXLYWMUBXJK-UHFFFAOYSA-N","23635643",NA,"PDBC56362","728074","Present"
-"[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-naphthalen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","6,7-dichloro-3-trifluoromethyl-2-naftoylquioxaline 1,4-d...","","C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=CC(=C(C=C4[N+]3=O)Cl)Cl)[O-])C(F)(F)F","MNCKJWJLGCAIDU-UHFFFAOYSA-N","23635285",NA,"PDBC56363","736434","Present"
-"[6,7-Difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-(furan-2-yl)methanone","","","","","","","","","","","","","","","","","","","","2-carboxy-(2'-furyl)-6,7-difluoro-3-trifluoromethylquino...","","C1=COC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)F)[O-])C(F)(F)F","AIEXZIYFQBCCGK-UHFFFAOYSA-N","23635642",NA,"PDBC56364","728076","Present"
-"[6,7-Difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-naphthalen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","6,7-difluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-d...","","C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=CC(=C(C=C4[N+]3=O)F)F)[O-])C(F)(F)F","OCKSPPHQWAREQY-UHFFFAOYSA-N","23635284",NA,"PDBC56365","736435","Present"
-"[6,7-Difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","6,7-Difluoro-2-(thien-2-yl)carbonyl-3-trifluoromethyl qu...","","C1=CSC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)F)[O-])C(F)(F)F","RIDRYNQDWAPQOS-UHFFFAOYSA-N","23635415",NA,"PDBC56366","728085","Present"
-"[6,7-Dimethyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone","","","","","","","","","","","","","","","","","","","","6,7-dimethyl-2-(thien-2-ylcarbonyl)-3-trifluoromethylqui...","","CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C3=CC=CS3","BJUVRLKHMYWIFC-UHFFFAOYSA-N","23635414",NA,"PDBC56367","729176","Present"
-"[6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-yl]methanol","","","","","","","","","","","","","","","","","","","","[6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-yl]methanol","","CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)CO)C","IRCXCKNENYJVPV-UHFFFAOYSA-N","388079",NA,"PDBC56368","682542","Present"
-"[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 4-(trifluoromethyl)benzoate","","","","","","","","","","","","","","","","","","","","[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 4-(trifluoromethyl)benzoate","","CC1(OCC(O1)C2C3C(C(O2)OC(=O)C4=CC=C(C=C4)C(F)(F)F)OC(O3)(C)C)C","BHLPICAGQSYCKG-UHFFFAOYSA-N","390951",NA,"PDBC56369","689204","Present"
-"[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 4-nitrobenzoate","","","","","","","","","","","","","","","","","","","","[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 4-nitrobenzoate","","CC1(OCC(O1)C2C3C(C(O2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(O3)(C)C)C","IYWKQRYSXLJSNK-UHFFFAOYSA-N","390950",NA,"PDBC56370","689203","Present"
-"[6-(2,5-Dimethoxybenzoyl)pyridin-2-yl]-(2,5-dimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[6-(2,5-Dimethoxybenzoyl)pyridin-2-yl]-(2,5-dimethoxyphenyl)methanone","","COC1=CC(=C(C=C1)OC)C(=O)C2=NC(=CC=C2)C(=O)C3=C(C=CC(=C3)OC)OC","QXQJEKOWKNVALS-UHFFFAOYSA-N","356573",NA,"PDBC56371","612975","Present"
-"[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]acetic acid","","","","","","","","","","","","","","","","","","","","[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]acetic acid","","C1OC2=C(O1)C=C3C(=C2)C(=CC(=N3)C4=CC=CC=C4F)OCC(=O)O","FPKJUXUMRDPFFP-UHFFFAOYSA-N","388494",NA,"PDBC56372","683477","Present"
-"[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]acetic acid ethyl ester","","","","","","","","","","","","","","","","","","","","[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]acetic acid ethyl ester","","CCOC(=O)COC1=CC(=NC2=CC3=C(C=C21)OCO3)C4=CC=CC=C4F","DSKBZKUYAJMOEW-UHFFFAOYSA-N","388493",NA,"PDBC56373","683476","Present"
-"[6-(4-Acetylanilino)-4,5-diacetyloxyoxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[6-(4-Acetylanilino)-4,5-diacetyloxyoxan-3-yl] acetate","","CC(=O)C1=CC=C(C=C1)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C","PFGBDOIRIKQABR-UHFFFAOYSA-N","373206",NA,"PDBC56374","649173","Present"
-"[6-(4-Bromophenyl)imidazo[2,5-dimethoxybenzylidenehydrazide","","","","","","","","","","","","","","","","","","","","NSC732334","","COC1=CC(=C(C=C1)OC)C=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br","PTQUSZRZEQMSGH-BHGWPJFGSA-N","16126515",NA,"PDBC56375","732334","Present"
-"[6-(4-Chlorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate","","","","","","","","","","","","","","","","","","","","[6-(4-Chlorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate","","C1C(OC(C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)CSC#N","XTFRSVRWDKFVGA-UHFFFAOYSA-N","54613288",NA,"PDBC56376","750512","Present"
-"[6-(4-Chlorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate","","","","","","","","","","","","","","","","","","","","[6-(4-Chlorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate","","C1C(OC(CC1(C2=CC=CC=C2)O)C3=CC=C(C=C3)Cl)CSC#N","FZAPPHMXVLWNFB-UHFFFAOYSA-N","54613214",NA,"PDBC56377","750289","Present"
-"[6-(4-Chlorophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid 2-hydroxybenzylidenehydrazide","","","","","","","","","","","","","","","","","","","","[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]acetic aci...","","C1=CC=C(C(=C1)C=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Cl)O","QEQZJQMQDJMGEP-LSHDLFTRSA-N","135968290",NA,"PDBC56378","750859","Present"
-"[6-(4-Fluorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate","","","","","","","","","","","","","","","","","","","","[6-(4-Fluorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate","","C1C(OC(C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=C(C=C4)F)CSC#N","LKLSPOXUXUIYBW-UHFFFAOYSA-N","54613759",NA,"PDBC56379","750255","Present"
-"[6-(4-Fluorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate","","","","","","","","","","","","","","","","","","","","[6-(4-Fluorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate","","C1C(OC(CC1(C2=CC=CC=C2)O)C3=CC=C(C=C3)F)CSC#N","WAMFUOJWQQDDMD-UHFFFAOYSA-N","54612774",NA,"PDBC56380","749752","Present"
-"[6-(5,6-Dichloro-1H-benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-yl]methanol","","","","","","","","","","","","","","","","","","","","[6-(5,6-Dichloro-1H-benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-yl]methanol","","CC1(C(CCC(O1)(C)C2=NC3=CC(=C(C=C3N2)Cl)Cl)CO)C","MJYYHAFJMFJSDR-UHFFFAOYSA-N","388082",NA,"PDBC56381","682545","Present"
-"[6-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl hexadecanoate","","","","","","","","","","","","","","","","","","","","[6-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl hexadecanoate","","CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)O)O","JTMMJXLMKGONFI-UHFFFAOYSA-N","363727",NA,"PDBC56382","628905","Present"
-"[6-(Acetamidomethyl)-8-benzamido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate","","","","","","","","","","","","","","","","","","","","[6-(acetamidomethyl)-8-benzamido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate","","CC(=O)NCC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5","LNDTXIMMLBSMGM-UHFFFAOYSA-N","389364",NA,"PDBC56383","685410","Present"
-"[6-(Aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] N-pentylcarbamate","","","","","","","","","","","","","","","","","","","","[6-(Aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] N-pentylcarbamate","","CCCCCNC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=O)N4CC4)C","MCFOFZBDWSOEAS-UHFFFAOYSA-N","385307",NA,"PDBC56384","676423","Present"
-"[6-(Dimethylamino)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] carbamate","","","","","","","","","","","","","","","","","","","","[6-(Dimethylamino)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] carbamate","","CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)N)N(C)C","RZDXIAMJZGKBKU-UHFFFAOYSA-N","374650",NA,"PDBC56385","652685","Present"
-"[6-(Phenylmethoxycarbonylamino)-1-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-2,3-dihydroindol-3-yl]methyl methanesulfonate","","","","","","","","","","","","","","","","","","","","[6-(Phenylmethoxycarbonylamino)-1-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-2,3-dihydroindol-3-yl]methyl methanesulfonate","","COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NC(=O)OCC5=CC=CC=C5)COS(=O)(=O)C)OC)OC","MCBMMKYKXPJQPK-UHFFFAOYSA-N","386020",NA,"PDBC56386","677589","Present"
-"[6-Amino-3-(4-methoxyphenyl)indazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","(6-amino-3-(4-methoxyphenyl)-1H-indazol-1-yl)(3,4,5-trim...","","COC1=CC=C(C=C1)C2=NN(C3=C2C=CC(=C3)N)C(=O)C4=CC(=C(C(=C4)OC)OC)OC","KAPPXMIWEKMFCD-UHFFFAOYSA-N","155811680",NA,"PDBC56387","782249","Present"
-"[6-Azido-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","[6-Azido-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate","","CC(C)(C)C(=O)OCC1C(C(C(C(O1)N=[N+]=[N-])OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C","ZRIINKFKQWXADE-UHFFFAOYSA-N","375598",NA,"PDBC56388","655422","Present"
-"[6-Benzoyloxy-2,3,4,5-tetrakis-(4-methylphenyl)sulfonyloxyhexyl] benzoate","","","","","","","","","","","","","","","","","","","","[6-Benzoyloxy-2,3,4,5-tetrakis-(4-methylphenyl)sulfonyloxyhexyl] benzoate","","CC1=CC=C(C=C1)S(=O)(=O)OC(COC(=O)C2=CC=CC=C2)C(C(C(COC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C)OS(=O)(=O)C6=CC=C(C=C6)C","BGCIIPUPNNLORR-UHFFFAOYSA-N","359635",NA,"PDBC56389","620694","Present"
-"[6-Benzoyloxy-2-(4-nitropyrrolo[2,3-b]pyridin-1-yl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl benzoate","","","","","","","","","","","","","","","","","","","","[6-benzoyloxy-2-(4-nitropyrrolo[2,3-b]pyridin-1-yl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl benzoate","","C1=CC=C(C=C1)C(=O)OCC2C(C3C(O2)OC(O3)(C4=CC=CC=C4)N5C=CC6=C(C=CN=C65)[N+](=O)[O-])OC(=O)C7=CC=CC=C7","IWNLVGSRNLNTIM-UHFFFAOYSA-N","384810",NA,"PDBC56390","675259","Present"
-"[6-Ethoxy-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","[6-Ethoxy-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl 2,2-dimethylpropanoate","","CCOC1C(CC(C(O1)COC(=O)C(C)(C)C)O)N2C=C(C(=O)NC2=O)C","HDGZTAFELKEMDZ-UHFFFAOYSA-N","395155",NA,"PDBC56391","699455","Present"
-"[6-Methoxy-2-methyl-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-3-yl] 2,2-dimethylpropanoate","","","","","","","","","","","","","","","","","","","","[6-Methoxy-2-methyl-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-3-yl] 2,2-dimethylpropanoate","","CC1C(C(C(C(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)OC(=O)C(C)(C)C","GPAUYJUWLVVJCB-UHFFFAOYSA-N","359617",NA,"PDBC56392","620676","Present"
-"[6-Methoxy-2-methyl-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate","","","","","","","","","","","","","","","","","","","","[6-Methoxy-2-methyl-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate","","CC1C(C(CC(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=CC=C3","MEBOJDDPMXASMH-UHFFFAOYSA-N","359630",NA,"PDBC56393","620689","Present"
-"[6-Methoxy-2-methyl-4-(4-nitrophenyl)sulfonyloxyoxan-3-yl] benzoate","","","","","","","","","","","","","","","","","","","","[6-Methoxy-2-methyl-4-(4-nitrophenyl)sulfonyloxyoxan-3-yl] benzoate","","CC1C(C(CC(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3","UPVTZWFGRUWONI-UHFFFAOYSA-N","359634",NA,"PDBC56394","620693","Present"
-"[6-Methoxy-3,4-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[6-Methoxy-3,4-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(CC(O2)OC)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C","DPIMOPFFPRWPPV-UHFFFAOYSA-N","359615",NA,"PDBC56395","620674","Present"
-"[6-Methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl] benzoate","","","","","","","","","","","","","","","","","","","","[6-Methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl] benzoate","","CC1C(C(CC(O1)OC)OCC2=CC=C(C=C2)OC)OC(=O)C3=CC=CC=C3","ZWBVGKMKPODOFA-UHFFFAOYSA-N","359633",NA,"PDBC56396","620692","Present"
-"[6-[(3R,3'S,5R,5'R,7R,8R,9R,10S,13S,14R,17R)-3-Acetyloxy-5'-[(1S)-1,2-dihydroxy-2-methylpropyl]-3',4,4,8,10,14-hexamethylspiro[1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[(3R,3'S,5R,5'R,7R,8R,9R,10S,13S,14R,17R)-3-Acetyloxy-5'-[(1S)-1,2-dihydroxy-2-methylpropyl]-3',4,4,8,10,14-hexamethylspiro[1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-o","","CC1CC(OC12CCC3(C2CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C)C)C(C(C)(C)O)O","ZUFLSDIQEBDMJC-AHAIZAONSA-N","6712363",NA,"PDBC56397","676808","Present"
-"[6-[(3R,3'S,5R,5'R,7R,8R,9R,10S,13S,14R,17R)-3-Acetyloxy-5'-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-3',4,4,8,10,14-hexamethylspiro[1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","Spiro[18-norandrostane-17,2'(3'H)-furan]-3,7-diol, 3-O-a...","","CC1CC(OC12CCC3(C2CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C)C)C(C(C)(C)OC)O","AYUSIRGMJHDARB-ISQHVAAISA-N","6712364",NA,"PDBC56398","676810","Present"
-"[6-[(9R)-4,5-Dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate","","","","","","","","","","","","","","","","","","","","[6-[(9R)-4,5-Dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)OC(=O)C)O)O)O)C=CC=C3O","ANCSMTDJGPZSRP-ULPGIETOSA-N","24203237",NA,"PDBC56399","727259","Present"
-"[6-[(9S)-4,5-Dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate","","","","","","","","","","","","","","","","","","","","[6-[(9S)-4,5-Dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate","","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)OC(=O)C)O)O)O)C=CC=C3O","ANCSMTDJGPZSRP-ZCGDZVLKSA-N","24203236",NA,"PDBC56400","727258","Present"
-"[6-[(E)-(3-Azabicyclo[3.2.2]nonane-3-carbothioylhydrazono)methyl]pyridazin-1-ium-1-yl]iron","","","","","","","","","","","","","","","","","","","","[6-[(E)-(3-Azabicyclo[3.2.2]nonane-3-carbothioylhydrazono)methyl]pyridazin-1-ium-1-yl]iron","","","","",NA,"PDBC56401","633276","Present"
-"[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2,4,5-trichlorophenoxy)acetate","","","","","","","","","","","","","","","","","","","","[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2,4,5-trichlorophenoxy)acetate","","C1=CC(=NC=C1OC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)C=NNC(=S)N","RVBSAHUEAWPHMO-IGCPIRJNSA-N","9560945",NA,"PDBC56402","185055","Present"
-"[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2-chlorophenoxy)acetate","","","","","","","","","","","","","","","","","","","","Acetic acid, (2-chlorophenoxy)-, 6-[[(aminothioxomethyl)...","","C1=CC=C(C(=C1)OCC(=O)OC2=CN=C(C=C2)C=NNC(=S)N)Cl","JMKQBSDQJKEATH-FBCYGCLPSA-N","5351259",NA,"PDBC56403","185056","Present"
-"[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(4-chlorophenoxy)acetate","","","","","","","","","","","","","","","","","","","","Acetic acid, (4-chlorophenoxy)-, 6-[[(aminothioxomethyl)...","","C1=CC(=CC=C1OCC(=O)OC2=CN=C(C=C2)C=NNC(=S)N)Cl","MMDRMMMYUBKHFV-FBCYGCLPSA-N","9556337",NA,"PDBC56404","185054","Present"
-"[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-phenoxyacetate","","","","","","","","","","","","","","","","","","","","Acetic acid, phenoxy-, 6-[[(aminothioxomethyl)hydrazono]...","","C1=CC=C(C=C1)OCC(=O)OC2=CN=C(C=C2)C=NNC(=S)N","ZFVVIAZMYUDWHW-QGMBQPNBSA-N","9555563",NA,"PDBC56405","185057","Present"
-"[6-[(E)-3-[4-(Butanoylamino)-1-methylpyrrol-2-yl]prop-2-enoyl]-8-(chloromethyl)-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl] acetate","","","","","","","","","","","","","","","","","","","","[6-[(E)-3-[4-(Butanoylamino)-1-methylpyrrol-2-yl]prop-2-enoyl]-8-(chloromethyl)-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl] acetate","","CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C4C(=CNC4=C(C=C32)OC(=O)C)C)CCl)C","CZQAXASQXBZSHD-BQYQJAHWSA-N","6270671",NA,"PDBC56406","693565","Present"
-"[6-[(E)-Hydroxyiminomethyl]-1-methylpyridin-1-ium-3-yl] N,N-dimethylcarbamate;iodide","","","","","","","","","","","","","","","","","","","","[6-[(E)-Hydroxyiminomethyl]-1-methylpyridin-1-ium-3-yl] N,N-dimethylcarbamate;iodide","","C[N+]1=C(C=CC(=C1)OC(=O)N(C)C)C=NO.[I-]","NZZZJNZHRLXSLQ-UHFFFAOYSA-N","135499211",NA,"PDBC56407","644873","Present"
-"[6-[2-Butoxy-4-hydroxy-5-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl]oxy-5-hydroxy-2-methyl-4-(2-methylpropanoyloxy)oxan-3-yl] butanoate","","","","","","","","","","","","","","","","","","","","[6-[2-Butoxy-4-hydroxy-5-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl]oxy-5-hydroxy-2-methyl-4-(2-methylpropanoyloxy)oxan-3-yl] butanoate","","CCCCOC1C(C(C(C(O1)COC(=O)C(C)C)OC(=O)C(C)C)O)OC2C(C(C(C(O2)C)OC(=O)CCC)OC(=O)C(C)C)O","OYXOEGDEVNJWDM-UHFFFAOYSA-N","24202677",NA,"PDBC56408","725700","Present"
-"[6-[4-(4-Methylphenoxy)benzoyl]-2-pyridyl]-[4-(4-methylphenoxy)phenyl]methanone","","","","","","","","","","","","","","","","","","","","[6-[4-(4-Methylphenoxy)benzoyl]-2-pyridyl]-[4-(4-methylphenoxy)phenyl]methanone","","CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=NC(=CC=C3)C(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)C","YUTABOAOSIWVGT-UHFFFAOYSA-N","365999",NA,"PDBC56409","634168","Present"
-"[6-[6-[[6-(6-Methyl-2-pyridyl)-2-pyridyl]methoxymethyl]-2-pyridyl]-2-pyridyl]methanol","","","","","","","","","","","","","","","","","","","","[6-[6-[[6-(6-Methyl-2-pyridyl)-2-pyridyl]methoxymethyl]-2-pyridyl]-2-pyridyl]methanol","","CC1=NC(=CC=C1)C2=CC=CC(=N2)COCC3=NC(=CC=C3)C4=CC=CC(=N4)CO","TZGRALCUNFBVEJ-UHFFFAOYSA-N","393207",NA,"PDBC56410","694695","Present"
-"[6-[8-Acetoxy-7-(diethylamino)-5-oxo-thiazolo[3,2-a]pyridin-6-yl]-7-(diethylamino)-5-oxo-thiazolo[3,2-a]pyridin-8-yl] acetate","","","","","","","","","","","","","","","","","","","","[6-[8-Acetyloxy-7-(diethylamino)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl]-7-(diethylamino)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-8-yl] acetate","","CCN(CC)C1=C(C(=O)N2C=CSC2=C1OC(=O)C)C3=C(C(=C4N(C3=O)C=CS4)OC(=O)C)N(CC)CC","XNFAPSPFHHQRSP-UHFFFAOYSA-N","389267",NA,"PDBC56411","685020","Present"
-"[6-[[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-7-Acetyloxy-15-[(2S,4R,5S)-6-fluoro-4,5-dihydroxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-7-Acetyloxy-15-[(2S,4R,5S)-6-fluoro-4,5-dihydroxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydrox","","CC(CC(C(C(C)(C)F)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","UVIGKQSXWXGXPU-VKOBEHAWSA-N","397861",NA,"PDBC56412","706484","Present"
-"[6-[[(2R,10S)-7-Acetyloxy-2,6,6,10-tetramethyl-15-[(2S,4S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(2R,10S)-7-Acetyloxy-2,6,6,10-tetramethyl-15-[(2S,4S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","LWBFDADHSVYUPS-PQPLWSRPSA-N","6712253",NA,"PDBC56413","663007","Present"
-"[6-[[(2R,10S,15S)-15-[4-(3,3-Dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-7-hydroxy-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(2R,10S,15S)-15-[4-(3,3-Dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-7-hydroxy-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","CC(CC(C1C(O1)(C)C)O)C2CCC34C2(C3)CCC5C4(C(CC6C5(CCC(C6(C)C)O)C)OC7C(C(C(C(O7)COC(=O)C)O)O)O)C","YJTJWLZANYUOEB-FEKFTJOESA-N","369933",NA,"PDBC56414","642300","Present"
-"[6-[[(2R,10S,15S)-7-Acetyloxy-15-(6-formylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(2R,10S,15S)-7-Acetyloxy-15-(6-formylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","CC(CCCC(=C)C=O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","HDTJUAYSKZYAMY-AXMUSJGESA-N","369934",NA,"PDBC56415","642301","Present"
-"[6-[[(2R,10S,15S)-7-Acetyloxy-15-[(5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(2R,10S,15S)-7-Acetyloxy-15-[(5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","CC(CC(C(C(C)(C)OC)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","TZKXHZFZNDJTCA-YLSOGLQASA-N","369929",NA,"PDBC56416","642296","Present"
-"[6-[[(2R,10S,15S)-7-Acetyloxy-15-[(5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(2R,10S,15S)-7-Acetyloxy-15-[(5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","CC(CC(C(C(=C)C)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","PVMHLUQSCKSBOW-FNQQQBJQSA-N","369935",NA,"PDBC56417","642302","Present"
-"[6-[[(2R,10S,15S)-7-Acetyloxy-15-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(2R,10S,15S)-7-Acetyloxy-15-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","CC(CC(C1C(O1)(C)C)O)C2CCC34C2(C3)CCC5C4(C(CC6C5(CCC(C6(C)C)OC(=O)C)C)OC7C(C(C(C(O7)COC(=O)C)O)O)O)C","BWLUFHQYKRKBLP-LHOCOFNGSA-N","369932",NA,"PDBC56418","642299","Present"
-"[6-[[(2R,10S,15S)-7-Acetyloxy-2,6,6,10-tetramethyl-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(2R,10S,15S)-7-Acetyloxy-2,6,6,10-tetramethyl-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","LWBFDADHSVYUPS-YBWWVZCISA-N","369930",NA,"PDBC56419","642297","Present"
-"[6-[[(3R,5R,7R,8R,9R,10S,13S,17S)-3-Acetyloxy-4,4,8,10,13-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(3R,5R,7R,8R,9R,10S,13S,17S)-3-Acetyloxy-4,4,8,10,13-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5","","CC(CC(C(C(C)(C)O)O)O)C1CC=C2C1(CCC3C2(C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C","JUMRSGDJJITQFW-FHBHDGDFSA-N","383002",NA,"PDBC56420","670970","Present"
-"[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-17-[(2S,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-17-[(2S,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-tri","","CC(CC(C(C(=C)C)O)O)C1CCC2(C1=CCC3C2(C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C","JMCIAFGPTOBWRU-RKDHYRFISA-N","385544",NA,"PDBC56421","676812","Present"
-"[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-17-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-17-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,","","CC(CC(C(C(C)(C)OC)O)O)C1=C2CCC3C4(CCC(C(C4CC(C3(C2(CC1)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)(C)C)OC(=O)C)C","VOXAMSQYMKTBQW-FOVFFCKJSA-N","385543",NA,"PDBC56422","676811","Present"
-"[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-4,4,8,10,14-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-4,4,8,10,14-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-tri","","CC(CC(C(C(C)(C)O)O)O)C1=C2CCC3C4(CCC(C(C4CC(C3(C2(CC1)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)(C)C)OC(=O)C)C","YSFFKLRWVQEGJK-XECQFBFTSA-N","385541",NA,"PDBC56423","676809","Present"
-"[6-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[6-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate","","CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(C(O4)C)OC(=O)C)O)O)C)C=C(C)C)C","ATSLYOOWNWXAIQ-HACPQOHYSA-N","24203399",NA,"PDBC56424","727908","Present"
-"[6-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate","","","","","","","","","","","","","","","","","","","","[6-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate","","CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(CO4)OC(=O)C)O)O)C)C=C(C)C)C","GKCBYTVPJRUVKI-MQDOAEPYSA-N","24203400",NA,"PDBC56425","727909","Present"
-"[6-[[(5S,8Ar,9R)-9-[3,5-dimethoxy-4-[2-(4-methylpiperazin-1-yl)acetyl]oxyphenyl]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-2-methyl-7-[2-(4-methylpiperazin-1-yl)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(4-methylpiperazin-1-yl)acetate","","","","","","","","","","","","","","","","","","","","[6-[[(5S,8Ar,9R)-9-[3,5-dimethoxy-4-[2-(4-methylpiperazin-1-yl)acetyl]oxyphenyl]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-2-methyl-7-[2-(4-methylpiperazin-1-yl)acety","","CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OC(=O)CN8CCN(CC8)C)OC)OC(=O)CN9CCN(CC9)C)OC(=O)CN1CCN(CC1)C","LFRIRRVUVCGFBL-LTGFKREESA-N","390757",NA,"PDBC56426","688515","Present"
-"[6-[[(8R,10S)-3-Acetyloxy-17-[(2S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate","","","","","","","","","","","","","","","","","","","","[6-[[(8R,10S)-3-Acetyloxy-17-[(2S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-y","","CC(CC(C(C(C)(C)OC)O)O)C1CC=C2C1(CCC3C2(C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C","LMBYRQRHBGASEU-HACDAJBJSA-N","6712254",NA,"PDBC56427","663008","Present"
-"[7,8-Dichloro-1-methyl-2-(phenylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-phenylcarbamate","","","","","","","","","","","","","","","","","","","","[7,8-Dichloro-1-methyl-2-(phenylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-phenylcarbamate","","CN1C(=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)COC(=O)NC4=CC=CC=C4)COC(=O)NC5=CC=CC=C5","WYASXQFMSAOOSS-UHFFFAOYSA-N","388469",NA,"PDBC56428","683405","Present"
-"[7,8-Dichloro-1-methyl-2-(propan-2-ylcarbamoyloxymethyl)-4,5-dihydrobenzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate","","","","","","","","","","","","","","","","","","","","[7,8-Dichloro-1-methyl-2-(propan-2-ylcarbamoyloxymethyl)-4,5-dihydrobenzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate","","CC(C)NC(=O)OCC1=C(N(C2=C1CCC3=CC(=C(C=C32)Cl)Cl)C)COC(=O)NC(C)C","RYFZOYNHIZCOOH-UHFFFAOYSA-N","376744",NA,"PDBC56429","657787","Present"
-"[7-(3,5-Dihydroxyphenyl)-1-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]-(4-hydroxyphenyl)methanone","","","","","","","","","","","","","","","","","","","","[7-(3,5-Dihydroxyphenyl)-1-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-y","","C1=CC(=CC=C1C2C(C(C3=C2C(=CC4=C3C(C(O4)C5=CC=C(C=C5)O)C6=CC7=C(C=C6O)OC(C7C8=CC(=CC(=C8)O)O)C9=CC=C(C=C9)O)O)C(=O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O","JQKTUYJRNDDQHK-UHFFFAOYSA-N","16129877",NA,"PDBC56430","655525","Present"
-"[7-(4-Aminophenyl)-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl] propanoate","","","","","","","","","","","","","","","","","","","","7-(4-aminophenyl)-5-(3,4,5-trimethoxyphenyl)-5H-thiazolo...","","CCC(=O)OC1=CN2C(C=C(N=C2S1)C3=CC=C(C=C3)N)C4=CC(=C(C(=C4)OC)OC)OC","RLUNQEXMQUOZHM-UHFFFAOYSA-N","155813153",NA,"PDBC56431","766096","Present"
-"[7-(Diethylamino)-6-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)-5-oxo-thiazolo[3,2-a]pyridin-8-yl] acetate","","","","","","","","","","","","","","","","","","","","[7-(Diethylamino)-6-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-8-yl] acetate","","CCN(CC)C1=C(C(=O)N2C=CSC2=C1OC(=O)C)C3=C(C(=O)C3=O)OC(C)C","USRZGXYENHQLLI-UHFFFAOYSA-N","389268",NA,"PDBC56432","685021","Present"
-"[7-(Ethoxycarbonylamino)-3-oxo-4,8-dioxabicyclo[3.2.1]octan-6-yl] acetate","","","","","","","","","","","","","","","","","","","","[7-(Ethoxycarbonylamino)-3-oxo-4,8-dioxabicyclo[3.2.1]octan-6-yl] acetate","","CCOC(=O)NC1C2CC(=O)OC(C1OC(=O)C)O2","OVZBJPNETDXDFI-UHFFFAOYSA-N","368693",NA,"PDBC56433","639825","Present"
-"[7-Benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-5-yl]methanol","","","","","","","","","","","","","","","","","","","","[7-Benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-5-yl]methanol","","CSC1=NC(=NC2=C1C(=C(N2CC3=CC=CC=C3)Br)CO)SC","UMRYQGGTZZGUNQ-UHFFFAOYSA-N","357482",NA,"PDBC56434","616511","Present"
-"[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-phenethyl-amine","","","","","","","","","","","","","","","","","","","","[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-phenethyl-amine","","CC1C(C2=CC3=C(C=C2OC1NCCC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","OOHSXVUDZOOJQR-UHFFFAOYSA-N","384844",NA,"PDBC56435","675362","Present"
-"[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine","","","","","","","","","","","","","","","","","","","","1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazine","","CC1C(C2=CC3=C(C=C2OC1NN)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","HUJNELKPXBNWGW-UHFFFAOYSA-N","381378",NA,"PDBC56436","667918","Present"
-"[7-[(4-Methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazol-3-yl]methanol","","","","","","","","","","","","","","","","","","","","[7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihy...","","COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5CO","AIMUKUMVGZCLPE-UHFFFAOYSA-N","155816728",NA,"PDBC56437","793973","Present"
-"[7-[[2-Chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate","","","","","","","","","","","","","","","","","","","","[7-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate","","CC(=O)OC1C(C(OC2C1OC(OC2)(C)C)OC)NC(=O)N(CCCl)N=O","IIZWKYHLPGMHCV-UHFFFAOYSA-N","370173",NA,"PDBC56438","642917","Present"
-"[8,11-Dimethyl-3,5-dioxo-4-(2-piperidin-1-ylethyl)-4-azatricyclo[5.2.2.02,6]undec-8-en-1-yl] acetate;hydrochloride","","","","","","","","","","","","","","","","","","","","4-acetoxy-6,8-dimethyl-2-[2-( piperidin-1-yl)-ethyl]-4,7...","","CC1CC2(C=C(C1C3C2C(=O)N(C3=O)CCN4CCCCC4)C)OC(=O)C.Cl","IBKVQBUAJKAORY-UHFFFAOYSA-N","24205629",NA,"PDBC56439","736299","Present"
-"[8,11-Dimethyl-4-(2-morpholin-4-ylethyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-1-yl] acetate;hydrochloride","","","","","","","","","","","","","","","","","","","","4-acetoxy-6,8-dimethyl-2-[2-(morpholin-4-yl)-ethyl]-4,7-...","","CC1CC2(C=C(C1C3C2C(=O)N(C3=O)CCN4CCOCC4)C)OC(=O)C.Cl","CONSTNYYFVARQZ-UHFFFAOYSA-N","24205631",NA,"PDBC56440","736300","Present"
-"[8-(6-Methoxyquinolin-4-yl)-2-azabicyclo[3.3.1]non-7-en-2-yl]-phenylmethanone","","","","","","","","","","","","","","","","","","","","[8-(6-Methoxyquinolin-4-yl)-2-azabicyclo[3.3.1]non-7-en-2-yl]-phenylmethanone","","COC1=CC2=C(C=CN=C2C=C1)C3=CCC4CCN(C3C4)C(=O)C5=CC=CC=C5","JLWRMXHSXXLZGM-UHFFFAOYSA-N","359584",NA,"PDBC56441","620578","Present"
-"[8-Chloro-2-(4-chlorophenyl)quinolin-4-yl](piperidin-2-yl)methanol","","","","","","","","","","","","","","","","","","","","4-Quinolinemethanol, 8-chloro-2-(p-chlorophenyl)-.alpha....","","C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=C(C=C4)Cl)O","GOVNXGKKGVVELA-UHFFFAOYSA-N","220885",NA,"PDBC56442","4377","Present"
-"[8-Methyl-7-(propan-2-ylcarbamoyloxymethyl)thieno[3,2-g]indol-6-yl]methyl N-propan-2-ylcarbamate","","","","","","","","","","","","","","","","","","","","[8-Methyl-7-(propan-2-ylcarbamoyloxymethyl)thieno[3,2-g]indol-6-yl]methyl N-propan-2-ylcarbamate","","CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=C2SC=C3)C)COC(=O)NC(C)C","HBNCHGPKFBUAGH-UHFFFAOYSA-N","399552",NA,"PDBC56443","710416","Present"
-"[8-Oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 2-pyridin-1-ium-1-ylacetate;chloride","","","","","","","","","","","","","","","","","","","","[8-Oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 2-pyridin-1-ium-1-ylacetate;chloride","","COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC(=O)C[N+]6=CC=CC=C6.[Cl-]","SDUGGZXPGJTZJV-UHFFFAOYSA-M","24201072",NA,"PDBC56444","403163","Present"
-"[9-(Methoxymethyl)-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate","","","","","","","","","","","","","","","","","","","","[9-(Methoxymethyl)-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate","","CC1=NC2=C(C3=C(N2COC)C=CC(=C3)OC(=O)C)C(=O)O1","QACPAUUVVFHQKW-UHFFFAOYSA-N","384426",NA,"PDBC56445","674203","Present"
-"[9-Benzyl-2-(dimethylamino)-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate","","","","","","","","","","","","","","","","","","","","[9-Benzyl-2-(dimethylamino)-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate","","CC(=O)OC1=CC2=C(C=C1)N(C3=C2C(=O)OC(=N3)N(C)C)CC4=CC=CC=C4","ZSYYVVYZRZGBAH-UHFFFAOYSA-N","384420",NA,"PDBC56446","674197","Present"
-"[9-[6-[[4-[2-[4-[[3-(2-Ethoxyphenyl)-4-oxoquinazolin-2-yl]methyl]piperazin-1-yl]-2-oxoethoxy]phenyl]methylamino]hexyl]-9-azabicyclo[3.3.1]nonan-3-yl] N-(2-methoxy-5-methylphenyl)carbamate","","","","","","","","","","","","","","","","","","","","9-{6-[({4-[2-(4-{[3-(2-ethoxyphenyl)-4-oxo-3,4-dihydroqu...","","CCOC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CN4CCN(CC4)C(=O)COC5=CC=C(C=C5)CNCCCCCCN6C7CCCC6CC(C7)OC(=O)NC8=C(C=CC(=C8)C)OC","NMJRVPZKOISERX-UHFFFAOYSA-N","124197470",NA,"PDBC56447","803066","Present"
-"[?] tetraoxide","","","","","","","","","","","","","","","","","","","","[?] tetraoxide","","C1C2=C3C4=C(CS(=O)(=O)CC5=C4C6=C(C=CC(=C36)CS1(=O)=O)C=C5)C=C2","DDRZJALXEVUSMM-UHFFFAOYSA-N","393212",NA,"PDBC56448","694700","Present"
-"[?]carbaldehyde","","","","","","","","","","","","","","","","","","","","[?]carbaldehyde","","C1=CC=C2C(=C1)C3=C(N2)C4=C(C5=CC=CC=C5N4C=C3)C=O","NSKFTNZGUJVDEK-UHFFFAOYSA-N","378603",NA,"PDBC56449","661243","Present"
-"[?]dicarbaldehyde","","","","","","","","","","","","","","","","","","","","[?]dicarbaldehyde","","C1C2=CC3=CC=CC=C3C=C1C=C(CC(=C2)C=O)C=O","FRXJPZZVAFPIRI-MBGCCUORSA-N","5388190",NA,"PDBC56450","633206","Present"
-"[?]diimine","","","","","","","","","","","","","","","","","","","","[?]diimine","","C1CSCCSC2=C(C=C3C(=C2)C(=NC3=N)N)SCCSC1","IIZQCRSULFFRRD-UHFFFAOYSA-N","387186",NA,"PDBC56451","680722","Present"
-"[?]triamine","","","","","","","","","","","","","","","","","","","","[?]triamine","","C1=C(C=C2C3=C1OC4=CC(=CC5=C4C3C6=C(O5)C=C(C=C6O2)N)N)N","LUOIXKQZXPGMRR-UHFFFAOYSA-N","393363",NA,"PDBC56452","695170","Present"
-"[?]yl N-(3,5-dinitrophenyl)carbamate","","","","","","","","","","","","","","","","","","","","[?]yl N-(3,5-dinitrophenyl)carbamate","","C1CC2C3C(O3)CC1C2OC(=O)NC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","JDULDANUKPNHRN-UHFFFAOYSA-N","371765",NA,"PDBC56453","646208","Present"
-"[?]yl acetate","","","","","","","","","","","","","","","","","","","","[?]yl acetate","","CC(=O)OC1CC2C3=CC=CC=C3CC(O2)O1","AOBXPDROZXHCLF-UHFFFAOYSA-N","375428",NA,"PDBC56454","655149","Present"
-"[Acetyl-[5-(trityloxymethyl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclopentane]-6-yl]amino] acetate","","","","","","","","","","","","","","","","","","","","[Acetyl-[5-(trityloxymethyl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclopentane]-6-yl]amino] acetate","","CC(=O)N(C1C(OC2C1OC3(O2)CCCC3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC(=O)C","IYJIMVRWDNMAIH-UHFFFAOYSA-N","374290",NA,"PDBC56455","651809","Present"
-"[Amino(methylamino)methylidene]-methylazanium;bromide","","","","","","","","","","","","","","","","","","","","NSC650753","","CNC(=[NH+]C)N.[Br-]","CVAHOSSNEIXARZ-UHFFFAOYSA-N","373791",NA,"PDBC56456","650753","Present"
-"[Au(dien)Cl]Cl2","","","","","","","","","","","","","","","","","","","","[Au(dien)Cl]Cl2","","","","",NA,"PDBC56457","721296","Present"
-"[Au(terpy)Cl]Cl2]","","","","","","","","","","","","","","","","","","","","[Au(terpy)Cl]Cl2]","","","","",NA,"PDBC56458","721297","Present"
-"[Bis(N,N',N'-tetraethylethlendiamine)-mu-dihydrodroxo dicopper(II)]diperchlorate","","","","","","","","","","","","","","","","","","","","[Bis(N,N,N',N'-tetraethylethlendiamine)-.mu.-dihydrodrox...","","CCN(CC)CCN(CC)CC.CCN(CC)CCN(CC)CC.[OH3+].[OH3+].[O-]Cl(=O)(=O)=O.[Cu+2].[Cu+2]","YEJNSEOAVASCLV-UHFFFAOYSA-O","54608549",NA,"PDBC56459","639085","Present"
-"[Bis(aminomethyl)cyclobutamethylenesilane]dichloroplatin...","","","","","","","","","","","","","","","","","","","","[Bis(aminomethyl)cyclobutamethylenesilane]dichloroplatin...","","","","",NA,"PDBC56460","645353","Present"
-"[Bis(aminomethyl)cyclobutamethylenesilane]tetrachloropla...","","","","","","","","","","","","","","","","","","","","[Bis(aminomethyl)cyclobutamethylenesilane]tetrachloropla...","","","","",NA,"PDBC56461","645354","Present"
-"[Bis(aminomethyl)cyclopentamethylenesilane]dichloroplati...","","","","","","","","","","","","","","","","","","","","[Bis(aminomethyl)cyclopentamethylenesilane]dichloroplati...","","","","",NA,"PDBC56462","645355","Present"
-"[Bis(aminomethyl)cyclopentamethylenesilane]tetrachloropl...","","","","","","","","","","","","","","","","","","","","[Bis(aminomethyl)cyclopentamethylenesilane]tetrachloropl...","","","","",NA,"PDBC56463","645356","Present"
-"[Bis(aminomethyl)diethylsilane]dichloroplatinum (II)","","","","","","","","","","","","","","","","","","","","[Bis(aminomethyl)diethylsilane]dichloroplatinum (II)","","","","",NA,"PDBC56464","645351","Present"
-"[Bis(aminomethyl)diethylsilane]tetrachloroplatinum (IV)","","","","","","","","","","","","","","","","","","","","[Bis(aminomethyl)diethylsilane]tetrachloroplatinum (IV)","","","","",NA,"PDBC56465","645352","Present"
-"[Bis(dodecyloxy)phosphoryl]amine","","","","","","","","","","","","","","","","","","","","Phosphoramidic acid, didodecyl ester","","CCCCCCCCCCCCOP(=O)(N)OCCCCCCCCCCCC","DWSIVZLNCWRJHW-UHFFFAOYSA-N","246980",NA,"PDBC56466","60673","Present"
-"[Butyl(hydroxy)-$l^{3}-iodanyl] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[Butyl(hydroxy)-$l^{3}-iodanyl] 4-methylbenzenesulfonate","","CCCCI(O)OS(=O)(=O)C1=CC=C(C=C1)C","CQVYBUCVJMJWJF-UHFFFAOYSA-N","389736",NA,"PDBC56467","686327","Present"
-"[C-(5-Nitrofuran-2-yl)-N-phenylcarbonimidoyl]sulfanyl 5-nitro-N-phenylfuran-2-carboximidothioate","","","","","","","","","","","","","","","","","","","","[C-(5-Nitrofuran-2-yl)-N-phenylcarbonimidoyl]sulfanyl 5-nitro-N-phenylfuran-2-carboximidothioate","","C1=CC=C(C=C1)N=C(C2=CC=C(O2)[N+](=O)[O-])SSC(=NC3=CC=CC=C3)C4=CC=C(O4)[N+](=O)[O-]","FGDWBXDDXYLZBU-UHFFFAOYSA-N","397185",NA,"PDBC56468","704592","Present"
-"[Carboxymethyl-(2-{carboxymethyl-[(2-isothiocyanato-ethylcarbamoyl)-methyl]-amino}-cyclohexyl)-amino]-acetic acid","","","","","","","","","","","","","","","","","","","","2-[[2-[Bis(carboxymethyl)amino]cyclohexyl]-[2-(2-isothiocyanatoethylamino)-2-oxoethyl]amino]acetic acid","","C1CCC(C(C1)N(CC(=O)NCCN=C=S)CC(=O)O)N(CC(=O)O)CC(=O)O","YGADPBQROKNTDW-UHFFFAOYSA-N","384595",NA,"PDBC56469","674607","Present"
-"[Chlorido(eta6-p-cymene)(N-{4-fluorophenyl}-2-pyridineca...","","","","","","","","","","","","","","","","","","","","[Chlorido(eta6-p-cymene)(N-{4-fluorophenyl}-2-pyridineca...","","","","",NA,"PDBC56470","776415","Present"
-"[Chloro(diphenyl)stannyl] (1E)-1-cyano-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]methanimidothioate","","","","","","","","","","","","","","","","","","","","[Chloro(diphenyl)stannyl] (1E)-1-cyano-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]methanimidothioate","","CN(C)C1=CC=C(C=C1)C=NN=C(C#N)S[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Cl","ZUJGOQTYEGYBMW-MEVDHSCASA-L","9569898",NA,"PDBC56471","623158","Present"
-"[Co(Me2dtc)2(DEE)]ClO4","","","","","","","","","","","","","","","","","","","","[Co(Me2dtc)2(DEE)]ClO4","","","","",NA,"PDBC56472","688298","Present"
-"[Cyano-[3-(2-oxo-2-phenylmethoxyethoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate","","","","","","","","","","","","","","","","","","","","[[3-(2-Benzyloxy-2-oxo-ethoxy)phenyl]-cyano-methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate","","CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OCC(=O)OCC3=CC=CC=C3)C","BURZSXCTXTUFJW-UHFFFAOYSA-N","398946",NA,"PDBC56473","709314","Present"
-"[Di-17alpha/beta-(2-ethoxy-3-hydroxyestra-1,5(10)-triene)-]sulphite","","","","","","","","","","","","","","","","","","","","[Di-17.alpha./.beta.-(2-ethoxy-3-hydroxyestra-1,3,5(10)-...","","CCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4OS(=O)OC5CCC6C5(CCC7C6CCC8=CC(=C(C=C78)OCC)O)C)C)O.CCOC(=O)C","WDIILFBAERMRLN-ULBQJDBASA-N","389907",NA,"PDBC56474","686560","Present"
-"[Dibromo(triphenylphosphaniumyl)methyl]-triphenylphosphanium;bromide","","","","","","","","","","","","","","","","","","","","NSC624844","","C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C([P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(Br)Br.[Br-]","UTHFFEJFIRRCMR-UHFFFAOYSA-M","361627",NA,"PDBC56475","624844","Present"
-"[Dibutyl-(2,3-difluorobenzoyl)oxy-stannyl] 2,3-difluorobenzoate","","","","","","","","","","","","","","","","","","","","[Dibutyl-(2,3-difluorobenzoyl)oxy-stannyl] 2,3-difluorobenzoate","","CCCC[Sn](CCCC)(OC(=O)C1=C(C(=CC=C1)F)F)OC(=O)C2=C(C(=CC=C2)F)F","NJRFRYBNPJGKEI-UHFFFAOYSA-L","16683576",NA,"PDBC56476","643842","Present"
-"[Dibutyl-(2,5-difluorobenzoyl)oxy-stannyl] 2,5-difluorobenzoate","","","","","","","","","","","","","","","","","","","","[Dibutyl-(2,5-difluorobenzoyl)oxy-stannyl] 2,5-difluorobenzoate","","CCCC[Sn](CCCC)(OC(=O)C1=C(C=CC(=C1)F)F)OC(=O)C2=C(C=CC(=C2)F)F","UFWXWAVZQPTJFY-UHFFFAOYSA-L","16683578",NA,"PDBC56477","643844","Present"
-"[Dibutyl-(2,6-difluorobenzoyl)oxy-stannyl] 2,6-difluorobenzoate","","","","","","","","","","","","","","","","","","","","[Dibutyl-(2,6-difluorobenzoyl)oxy-stannyl] 2,6-difluorobenzoate","","CCCC[Sn](CCCC)(OC(=O)C1=C(C=CC=C1F)F)OC(=O)C2=C(C=CC=C2F)F","LFPHODRBEOHWJR-UHFFFAOYSA-L","16683188",NA,"PDBC56478","643841","Present"
-"[Dibutyl-(2-methylsulfanylpyridine-3-carbonyl)oxy-stannyl] 2-methylsulfanylpyridine-3-carboxylate","","","","","","","","","","","","","","","","","","","","[Dibutyl-(2-methylsulfanylpyridine-3-carbonyl)oxy-stannyl] 2-methylsulfanylpyridine-3-carboxylate","","CCCC[Sn](CCCC)(OC(=O)C1=C(N=CC=C1)SC)OC(=O)C2=C(N=CC=C2)SC","BTEGEIUATUJPQX-UHFFFAOYSA-L","16683205",NA,"PDBC56479","643861","Present"
-"[Dibutyl-(3,5-difluorobenzoyl)oxy-stannyl] 3,5-difluorobenzoate","","","","","","","","","","","","","","","","","","","","[Dibutyl-(3,5-difluorobenzoyl)oxy-stannyl] 3,5-difluorobenzoate","","CCCC[Sn](CCCC)(OC(=O)C1=CC(=CC(=C1)F)F)OC(=O)C2=CC(=CC(=C2)F)F","VNMHVCHGHXASMI-UHFFFAOYSA-L","16683577",NA,"PDBC56480","643843","Present"
-"[Dibutyl-(3-fluorobenzoyl)oxy-stannyl] 3-fluorobenzoate","","","","","","","","","","","","","","","","","","","","[Dibutyl-(3-fluorobenzoyl)oxy-stannyl] 3-fluorobenzoate","","CCCC[Sn](CCCC)(OC(=O)C1=CC(=CC=C1)F)OC(=O)C2=CC(=CC=C2)F","JKWNSHGDTKYHAP-UHFFFAOYSA-L","16683187",NA,"PDBC56481","643839","Present"
-"[Dibutyl-(5-oxopyrrolidine-2-carbonyl)oxy-stannyl] 5-oxopyrrolidine-2-carboxylate","","","","","","","","","","","","","","","","","","","","[Dibutyl-(5-oxopyrrolidine-2-carbonyl)oxy-stannyl] 5-oxopyrrolidine-2-carboxylate","","CCCC[Sn](CCCC)(OC(=O)C1CCC(=O)N1)OC(=O)C2CCC(=O)N2","MPDSKQBYIDMGJJ-UHFFFAOYSA-L","16683181",NA,"PDBC56482","633516","Present"
-"[Dibutyl-[2-(4-fluorophenyl)acetyl]oxy-stannyl] 2-(4-fluorophenyl)acetate","","","","","","","","","","","","","","","","","","","","[Dibutyl-[2-(4-fluorophenyl)acetyl]oxy-stannyl] 2-(4-fluorophenyl)acetate","","CCCC[Sn](CCCC)(OC(=O)CC1=CC=C(C=C1)F)OC(=O)CC2=CC=C(C=C2)F","RPNGBVBSFYVLTC-UHFFFAOYSA-L","16683202",NA,"PDBC56483","643858","Present"
-"[Dicyano-(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)methyl]sodium","","","","","","","","","","","","","","","","","","","","[Dicyano-(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)methyl]sodium","","CSC1=NN=C(N=N1)[C-](C#N)C#N.[Na+]","MWMSNTLIIJAMLV-UHFFFAOYSA-N","494487",NA,"PDBC56484","625238","Present"
-"[Diethyl-(2,3,4-trimethoxybenzoyl)oxy-stannyl] 2,3,4-trimethoxybenzoate","","","","","","","","","","","","","","","","","","","","[Diethyl-(2,3,4-trimethoxybenzoyl)oxy-stannyl] 2,3,4-trimethoxybenzoate","","CC[Sn](CC)(OC(=O)C1=C(C(=C(C=C1)OC)OC)OC)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC","OVUXKBCZVCGNNU-UHFFFAOYSA-L","16683186",NA,"PDBC56485","643836","Present"
-"[Diethyl-(2-fluorobenzoyl)oxy-stannyl] 2-fluorobenzoate","","","","","","","","","","","","","","","","","","","","[Diethyl-(2-fluorobenzoyl)oxy-stannyl] 2-fluorobenzoate","","CC[Sn](CC)(OC(=O)C1=CC=CC=C1F)OC(=O)C2=CC=CC=C2F","RXLHRTUOGPUNHT-UHFFFAOYSA-L","16683574",NA,"PDBC56486","643838","Present"
-"[Diethyl-(4-fluorobenzoyl)oxy-stannyl] 4-fluorobenzoate","","","","","","","","","","","","","","","","","","","","[Diethyl-(4-fluorobenzoyl)oxy-stannyl] 4-fluorobenzoate","","CC[Sn](CC)(OC(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)F","GKNVYQKQEPQPNB-UHFFFAOYSA-L","16683575",NA,"PDBC56487","643840","Present"
-"[Diphenyl(pyridine-2-carbonyloxy)stannyl] pyridine-2-carboxylate","","","","","","","","","","","","","","","","","","","","[Diphenyl(pyridine-2-carbonyloxy)stannyl] pyridine-2-carboxylate","","C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(OC(=O)C3=CC=CC=N3)OC(=O)C4=CC=CC=N4","HQGMJWTVQKNFQG-UHFFFAOYSA-L","16683508",NA,"PDBC56488","353500","Present"
-"[Diphenyl-[(1,3,5,7-tetramethyl-2,2,6,6-tetraoxo-2$l^{6},6$l^{6}-dithia-1,3,5,7-tetraza-4$l^{5}-phosphaspiro[3.3]heptan-4-yl)imino]-$l^{5}-phosphanyl]methyl-diphenyl-[(1,3,5,7-tetramethyl-2,2,6,6-tetraoxo-2$l^{6},6$l^{6}-dithia-1,3,5,7-tetraza-4$l^{5}-phosphaspiro[3.3]heptan-4-yl)imino]-$l^{5}-phosphane","","","","","","","","","","","","","","","","","","","","[Diphenyl-[(1,3,5,7-tetramethyl-2,2,6,6-tetraoxo-2lambda6,6lambda6-dithia-1,3,5,7-tetraza-4lambda5-phosphaspiro[3.3]heptan-4-yl)imino]-lambda5-phosphanyl]methyl-diphenyl-[(1,3,5,7-tetramethyl-2,2,6,6-","","CN1P2(N(S1(=O)=O)C)(N(S(=O)(=O)N2C)C)N=P(CP(=NP34(N(S(=O)(=O)N3C)C)N(S(=O)(=O)N4C)C)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","VCKAWRCNLNTSJZ-UHFFFAOYSA-N","371580",NA,"PDBC56489","645930","Present"
-"[Ethynylenebis(o-phenylene)]bis(boronic acid)","","","","","","","","","","","","","","","","","","","","[2-[2-(2-Boronophenyl)ethynyl]phenyl]boronic acid","","B(C1=CC=CC=C1C#CC2=CC=CC=C2B(O)O)(O)O","DSKIOYIXIRNDJS-UHFFFAOYSA-N","346619",NA,"PDBC56490","404895","Present"
-"[Fluoro(phenyl)boranyl] 2-(dimethylamino)-2-phenyl-acetate","","","","","","","","","","","","","","","","","","","","[Fluoro(phenyl)boranyl] 2-(dimethylamino)-2-phenyl-acetate","","","","",NA,"PDBC56491","656982","Present"
-"[Fluoro(phenyl)boranyl] 2-[(E)-dimethylaminomethyleneamino]-3-methyl-butanoate","","","","","","","","","","","","","","","","","","","","[Fluoro(phenyl)boranyl] 2-[(E)-dimethylaminomethyleneamino]-3-methyl-butanoate","","","","",NA,"PDBC56492","656984","Present"
-"[Fluoro(phenyl)boranyl] 2-[(E)-dimethylaminomethyleneamino]-3-phenyl-propanoate","","","","","","","","","","","","","","","","","","","","[Fluoro(phenyl)boranyl] 2-[(E)-dimethylaminomethyleneamino]-3-phenyl-propanoate","","","","",NA,"PDBC56493","656983","Present"
-"[Hydroxy(2,2,2-trifluoroethyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[Hydroxy(2,2,2-trifluoroethyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OI(CC(F)(F)F)O","ZYHCFORBWQPSCI-UHFFFAOYSA-N","390375",NA,"PDBC56494","687717","Present"
-"[Hydroxy(2,2,2-trifluoroethyl)-$l^{3}-iodanyl] trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","[Hydroxy(2,2,2-trifluoroethyl)-$l^{3}-iodanyl] trifluoromethanesulfonate","","C(C(F)(F)F)I(O)OS(=O)(=O)C(F)(F)F","QWXILXYKCKXYHH-UHFFFAOYSA-N","390374",NA,"PDBC56495","687716","Present"
-"[Methyl(phenylcarbamoyl)amino] N,N-dimethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","urea, n-[[(dimethylamino)thioxomethyl]thio]-n-methyl-n'-...","","CN(C)C(=S)SN(C)C(=O)NC1=CC=CC=C1","DKRAKKBEWHKUMN-UHFFFAOYSA-N","293865",NA,"PDBC56496","161128","Present"
-"[Methylenebis[p-phenyleneimino[(2-furyl)methylene]]]bis(phosphonic acid dimethyl) ester","","","","","","","","","","","","","","","","","","","","N-[Dimethoxyphosphoryl(furan-2-yl)methyl]-4-[[4-[[dimethoxyphosphoryl(furan-2-yl)methyl]amino]phenyl]methyl]aniline","","COP(=O)(C(C1=CC=CO1)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(C4=CC=CO4)P(=O)(OC)OC)OC","XDFWRXORNCTNQE-UHFFFAOYSA-N","399251",NA,"PDBC56497","709928","Present"
-"[N,N,N',N'-Tetramethylethylenediamine carboxyboronium] b...","","","","","","","","","","","","","","","","","","","","[N,N,N',N'-Tetramethylethylenediamine carboxyboronium] b...","","","","",NA,"PDBC56498","680213","Present"
-"[N-(4-Methoxyphenyl)-C-(5-nitrofuran-2-yl)carbonimidoyl]sulfanyl N-(4-methoxyphenyl)-5-nitrofuran-2-carboximidothioate","","","","","","","","","","","","","","","","","","","","[N-(4-Methoxyphenyl)-C-(5-nitrofuran-2-yl)carbonimidoyl]sulfanyl N-(4-methoxyphenyl)-5-nitrofuran-2-carboximidothioate","","COC1=CC=C(C=C1)N=C(C2=CC=C(O2)[N+](=O)[O-])SSC(=NC3=CC=C(C=C3)OC)C4=CC=C(O4)[N+](=O)[O-]","VBYTTYBVVZAKLZ-UHFFFAOYSA-N","397186",NA,"PDBC56499","704593","Present"
-"[N-MePhe]5 didemnin B","","","","","","","","","","","","","","","","","","","","[N-MePhe]5 didemnin B","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC4=CC=CC=C4)C)CC(C)C)C)C(C)C)O","PFFJTBZAHBUDOE-HUMPRVKGSA-N","391564",NA,"PDBC56500","690969","Present"
-"[O-(PHENYLCARBAMOYL)PHENOXY]ACETIC ACID","","","","","","","","","","","","","","","","","","","","[O-(PHENYLCARBAMOYL)PHENOXY]ACETIC ACID","","C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)O","RCMAKYLCUAZCEW-UHFFFAOYSA-N","94724",NA,"PDBC56501","531","Present"
-"[Oxiran-2-yl(phenyl)methyl] N-benzoylcarbamate","","","","","","","","","","","","","","","","","","","","[Oxiran-2-yl(phenyl)methyl] N-benzoylcarbamate","","C1C(O1)C(C2=CC=CC=C2)OC(=O)NC(=O)C3=CC=CC=C3","QDPVIPSPRANDKI-UHFFFAOYSA-N","388769",NA,"PDBC56502","683847","Present"
-"[Phenyl-[phenyl(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]oxy-$l^{3}-iodanyl] trifluoromethanesulfonate","","","","","","","","","","","","","","","","","","","","[Phenyl-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]oxy-lambda3-iodanyl] trifluoromethanesulfonate","","C1=CC=C(C=C1)I(OS(=O)(=O)C(F)(F)F)OI(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F","FAIBFONUPBMEFF-UHFFFAOYSA-N","370804",NA,"PDBC56503","644326","Present"
-"[Sulfanediyldi(4,1-phenylene)]bis(diphenylsulfanium) bis[hexafluoridophosphate(1-)]","","","","","","","","","","","","","","","","","","","","[Sulfanediyldi(4,1-phenylene)]bis(diphenylsulfanium) bis[hexafluoridophosphate(1-)]","","","","",NA,"PDBC56504","645238","Present"
-"[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]oxy-dibutyl-stannyl] 2-aminobenzoate","","","","","","","","","","","","","","","","","","","","[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]oxy-dibutyl-stannyl] 2-aminobenzoate","","","","",NA,"PDBC56505","628573","Present"
-"[[(2-Hydroxy-3-morpholino-propyl)amino]-phosphono-methyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[[(2-Hydroxy-3-morpholino-propyl)amino]-phosphono-methyl]phosphonic acid","","C1COCCN1CC(CNC(P(=O)(O)O)P(=O)(O)O)O","PLXPPHXWVKMKAV-UHFFFAOYSA-N","394265",NA,"PDBC56506","697588","Present"
-"[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-hydroxypropoxy)oxolan-2-yl]methyl hydrogen phosphate;azane","","","","","","","","","","","","","","","","","","","","[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-hydroxypropoxy)oxolan-2-yl]methyl hydrogen phosphate;azane","","C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)OCCCO)O)O)O)O)N.N","DBNZQHIOMPBXOP-KSJQKZGBSA-N","401117",NA,"PDBC56507","714018","Present"
-"[[(2Z)-2-(1-Adamantylimino)-4-hydroxy-4-(p-tolyl)thiazolidin-3-yl]-phosphono-methyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[[(2Z)-2-(1-Adamantylimino)-4-hydroxy-4-(p-tolyl)thiazolidin-3-yl]-phosphono-methyl]phosphonic acid","","CC1=CC=C(C=C1)C2(CSC(=NC34CC5CC(C3)CC(C5)C4)N2C(P(=O)(O)O)P(=O)(O)O)O","FUBICIRCYYLHOK-UHFFFAOYSA-N","394264",NA,"PDBC56508","697587","Present"
-"[[(3E)-3-Amino-3-benzoyloxyiminopropanoyl]amino] benzoate","","","","","","","","","","","","","","","","","","","","[[(3E)-3-Amino-3-benzoyloxyiminopropanoyl]amino] benzoate","","C1=CC=C(C=C1)C(=O)ONC(=O)CC(=NOC(=O)C2=CC=CC=C2)N","OGVLASGSFDFSCU-UHFFFAOYSA-N","5878066",NA,"PDBC56509","58902","Present"
-"[[(3Z)-3-Amino-3-benzoyloxyimino-2-benzylpropanoyl]amino] benzoate","","","","","","","","","","","","","","","","","","","","Hydrocinnamohydroxamic acid,.alpha.-(N-hydroxyamidino)-,...","","C1=CC=C(C=C1)CC(C(=NOC(=O)C2=CC=CC=C2)N)C(=O)NOC(=O)C3=CC=CC=C3","ALIGJLBZICSLLG-UHFFFAOYSA-N","44825806",NA,"PDBC56510","58904","Present"
-"[[(3Z)-3-Amino-3-benzoyloxyimino-2-cyclohexylpropanoyl]amino] benzoate","","","","","","","","","","","","","","","","","","","","[[(3Z)-3-Amino-3-benzoyloxyimino-2-cyclohexylpropanoyl]amino] benzoate","","C1CCC(CC1)C(C(=NOC(=O)C2=CC=CC=C2)N)C(=O)NOC(=O)C3=CC=CC=C3","GVWUKOPRGKMIMS-UHFFFAOYSA-N","44825805",NA,"PDBC56511","58903","Present"
-"[[(E)-3-(4-Chlorophenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide","","","","","","","","","","","","","","","","","","","","S-[3-(4-Chloro-phenyl)-3-oxo-prop-1-en-1-yl] S'-methyl c...","","CSC(=NC#N)SC=CC(=O)C1=CC=C(C=C1)Cl","VQOLKYYMLBSEJT-AXUHJDFSSA-N","7021609",NA,"PDBC56512","724284","Present"
-"[[(Z)-(3-Allyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[[(Z)-(3-Allyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid","","C=CCN1C(=CSC1=NC(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2","LDYGYTKBTAVZPK-OWBHPGMISA-N","9572059",NA,"PDBC56513","697580","Present"
-"[[(Z)-(3-Ethyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[[(Z)-(3-Ethyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid","","CCN1C(=CSC1=NC(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2","SPPXMHOVMADHNE-QBFSEMIESA-N","9572062",NA,"PDBC56514","697583","Present"
-"[[(Z)-[3-Allyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[[(Z)-[4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-phosphonomethyl]phosphonic acid","","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NC(P(=O)(O)O)P(=O)(O)O)N2CC=C","UJUPMTOMUWJFFQ-PYCFMQQDSA-N","9572061",NA,"PDBC56515","697582","Present"
-"[[(Z)-[3-Allyl-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[[(Z)-[3-Allyl-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid","","C=CCN1C(=CSC1=NC(P(=O)(O)O)P(=O)(O)O)C2=CC=C(C=C2)[N+](=O)[O-]","RPQVNOFEHXJEKF-OWBHPGMISA-N","9572060",NA,"PDBC56516","697581","Present"
-"[[(Z)-[3-Ethyl-4-(p-tolyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid","","","","","","","","","","","","","","","","","","","","[[(Z)-[3-Ethyl-4-(p-tolyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid","","CCN1C(=CSC1=NC(P(=O)(O)O)P(=O)(O)O)C2=CC=C(C=C2)C","QZJZHHHGCXRDLZ-OWBHPGMISA-N","9572063",NA,"PDBC56517","697584","Present"
-"[[1,3-Bis(dicyanomethylidene)inden-2-yl]-(4-methoxyphenyl)methyl] acetate","","","","","","","","","","","","","","","","","","","","[1,3-Bis(dicyanomethylidene)-2,3-dihydro-1h-inden-2-yl](4-methoxyphenyl)methyl acetate","","CC(=O)OC(C1C(=C(C#N)C#N)C2=CC=CC=C2C1=C(C#N)C#N)C3=CC=C(C=C3)OC","QZKPEWUFUJFXBZ-UHFFFAOYSA-N","400763",NA,"PDBC56518","713194","Present"
-"[[2-(3-Nitropyrazol-1-yl)acetyl]amino] propanoate","","","","","","","","","","","","","","","","","","","","[[2-(3-Nitropyrazol-1-yl)acetyl]amino] propanoate","","CCC(=O)ONC(=O)CN1C=CC(=N1)[N+](=O)[O-]","KBMLOWDWLMGYHV-UHFFFAOYSA-N","383763",NA,"PDBC56519","672205","Present"
-"[[2-Oxo-1-(triphenyl-lambda5-phosphanylidene)propyl]-phenyl-lambda3-iodanyl] 4-methylbenzenesulfonate","","","","","","","","","","","","","","","","","","","","[[2-Oxo-1-(triphenyl-lambda5-phosphanylidene)propyl]-phenyl-lambda3-iodanyl] 4-methylbenzenesulfonate","","CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C","COSKTJZVTYCYMI-UHFFFAOYSA-N","404461",NA,"PDBC56520","720673","Present"
-"[[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-[2-(dimethylamino)ethoxy]-1H-indole-2-yl] ketone","","","","","","","","","","","","","","","","","","","","[6-Amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone","","CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl","YUGGIBNMRNWUKD-UHFFFAOYSA-N","395800",NA,"PDBC56521","700644","Present"
-"[[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-methoxy-7-[2-(dimethylamino)ethoxy]-1H-indole-2-yl] ketone","","","","","","","","","","","","","","","","","","","","[6-Amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-[7-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone","","CN(C)CCOC1=C2C(=CC(=C1)OC)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl","LNEMXPLUFRMJPR-UHFFFAOYSA-N","395799",NA,"PDBC56522","700643","Present"
-"[[4-(2,2-Dicyanoethenyl)phenyl]-hydroxymethyl]phosphonic acid;methanol","","","","","","","","","","","","","","","","","","","","[[4-(2,2-Dicyanoethenyl)phenyl]-hydroxymethyl]phosphonic acid;methanol","","CO.C1=CC(=CC=C1C=C(C#N)C#N)C(O)P(=O)(O)O","LCMKCEWZRRZPTF-UHFFFAOYSA-N","364973",NA,"PDBC56523","631877","Present"
-"[[4-(3-Aminophenyl)-2-pyridyl]methyleneamino]thiourea","","","","","","","","","","","","","","","","","","","","4-APPT","","C1=CC(=CC(=C1)N)C2=CC(=NC=C2)C=NNC(=S)N","HUJXMLQQCAEBCK-CAOOACKPSA-N","9556427",NA,"PDBC56524","195327","Present"
-"[[4-[Chloro(difluoro)methyl]-5,5,5-trifluoro-4-hydroxy-2-oxo-pentyl]amino]thiourea","","","","","","","","","","","","","","","","","","","","[[4-[Chloro(difluoro)methyl]-5,5,5-trifluoro-4-hydroxy-2-oxo-pentyl]amino]thiourea","","C(C(=O)CNNC(=S)N)C(C(F)(F)F)(C(F)(F)Cl)O","PZAYKHGZXOZPKA-UHFFFAOYSA-N","3004932",NA,"PDBC56525","663990","Present"
-"[[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate","","","","","","","","","","","","","","","","","","","","2,5-Cyclohexadiene-.delta.(1,.alpha.)-acetonitrile, 4-ox...","","CC(=O)ON=C1C=CC(=C(C#N)C2=CC=CC=C2)C=C1","LCPOATCJCJOUDL-UHFFFAOYSA-N","352429",NA,"PDBC56526","526333","Present"
-"[[5-(4-Amino-2-oxopyrimidin-1-yl)-3-azidooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","","","","","","","","","","","","","","","","","","","","[[5-(4-Amino-2-oxopyrimidin-1-yl)-3-azidooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate","","","","",NA,"PDBC56527","619073","Present"
-"[[5-(5-Fluoro-2, 4-dihydroxyoxolan-2-yl]methoxy-ydroxyphosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate, disodium salt","","","","","","","","","","","","","","","","","","","","[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3, 4-dihydroxyoxo...","","C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O)F.[Na+]","XMLSDAAWXRPOLP-UHFFFAOYSA-N","54609809",NA,"PDBC56528","59220","Present"
-"[[5-[(Carbamothioylamino)carbamoyl]-2,6-dimethyl-pyridine-3-carbonyl]amino]thiourea","","","","","","","","","","","","","","","","","","","","[[5-[(Carbamothioylamino)carbamoyl]-2,6-dimethyl-pyridine-3-carbonyl]amino]thiourea","","CC1=C(C=C(C(=N1)C)C(=O)NNC(=S)N)C(=O)NNC(=S)N","JFHAAORTPAYFOK-UHFFFAOYSA-N","3000644",NA,"PDBC56529","657665","Present"
-"[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]thiourea","","","","","","","","","","","","","","","","","","","","[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]thiourea","","CC1C(C2=CC3=C(C=C2OC1NNC(=S)N)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","JUNCLJIIVWLKKX-UHFFFAOYSA-N","3807643",NA,"PDBC56530","670270","Present"
-"[[Diethyl-(2-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-fluorobenzoate","","","","","","","","","","","","","","","","","","","","[[Diethyl-(2-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-fluorobenzoate","","CC[Sn](CC)(OC(=O)C1=CC=CC=C1F)O[Sn](CC)(CC)OC(=O)C2=CC=CC=C2F","CNUUBERLCTZYSJ-UHFFFAOYSA-L","16683193",NA,"PDBC56531","643849","Present"
-"[[Diethyl-(2-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-methoxybenzoate","","","","","","","","","","","","","","","","","","","","[[Diethyl-(2-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-methoxybenzoate","","CC[Sn](CC)(OC(=O)C1=CC=CC=C1OC)O[Sn](CC)(CC)OC(=O)C2=CC=CC=C2OC","KNAIYLKQKWHPHW-UHFFFAOYSA-L","16683200",NA,"PDBC56532","643856","Present"
-"[[Diethyl-(3-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-fluorobenzoate","","","","","","","","","","","","","","","","","","","","[[Diethyl-(3-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-fluorobenzoate","","CC[Sn](CC)(OC(=O)C1=CC(=CC=C1)F)O[Sn](CC)(CC)OC(=O)C2=CC(=CC=C2)F","UEFYXQVSHOACMZ-UHFFFAOYSA-L","16683194",NA,"PDBC56533","643850","Present"
-"[[Diethyl-(3-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-methoxybenzoate","","","","","","","","","","","","","","","","","","","","[[Diethyl-(3-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-methoxybenzoate","","CC[Sn](CC)(OC(=O)C1=CC(=CC=C1)OC)O[Sn](CC)(CC)OC(=O)C2=CC(=CC=C2)OC","LGXJZWWKGOURHP-UHFFFAOYSA-L","16683201",NA,"PDBC56534","643857","Present"
-"[[Diethyl-(4-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 4-fluorobenzoate","","","","","","","","","","","","","","","","","","","","[[Diethyl-(4-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 4-fluorobenzoate","","CC[Sn](CC)(OC(=O)C1=CC=C(C=C1)F)O[Sn](CC)(CC)OC(=O)C2=CC=C(C=C2)F","DLMMBRDXIFLIFO-UHFFFAOYSA-L","16683195",NA,"PDBC56535","643851","Present"
-"[acetyl(diphenyl)[?]yl] acetate","","","","","","","","","","","","","","","","","","","","[acetyl(diphenyl)[?]yl] acetate","","CC(=O)C1(CC2(C3=CC=CC=C3C1(O2)C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C","ADKUELIPIQGUGR-UHFFFAOYSA-N","363302",NA,"PDBC56536","628121","Present"
-"[alpha-[(4-Chlorophenyl)sulfinyl]benzylidene]triphenylphosphorane","","","","","","","","","","","","","","","","","","","","[alpha-[(4-Chlorophenyl)sulfinyl]benzylidene]triphenylphosphorane","","C1=CC=C(C=C1)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)C5=CC=C(C=C5)Cl","YUAUQVIUYAEULS-UHFFFAOYSA-N","400906",NA,"PDBC56537","713590","Present"
-"[anilino(dioxo)[?]yl] acetate","","","","","","","","","","","","","","","","","","","","[anilino(dioxo)[?]yl] acetate","","CC(=O)OC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)NC6=CC=CC=C6","MXCCIBPCRKIEHR-UHFFFAOYSA-N","379882",NA,"PDBC56538","665074","Present"
-"[benzoyl(cyano)[?]yl] acetate","","","","","","","","","","","","","","","","","","","","[benzoyl(cyano)[?]yl] acetate","","CC(=O)OC1(CC2C3C(C1O2)N3C(=O)C4=CC=CC=C4)C#N","XUNQNYQCEGTCCM-UHFFFAOYSA-N","368692",NA,"PDBC56539","639824","Present"
-"[dioxo(2-pyridyl)[?]yl] acetate","","","","","","","","","","","","","","","","","","","","[dioxo(2-pyridyl)[?]yl] acetate","","CC(=O)OC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=N6","RNLFYMBCRTUCSB-UHFFFAOYSA-N","379880",NA,"PDBC56540","665072","Present"
-"abieta-8,11,13-trien-18-amine benzoate","","","","","","","","","","","","","","","","","","","","abieta-8,11,13-trien-18-amine benzoate","","CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C.C1=CC=C(C=C1)C(=O)O","OSVFSXQGUVYMIT-UHFFFAOYSA-N","248381",NA,"PDBC56541","65238","Present"
-"acetyl(diphenyl)[?]tetrone","","","","","","","","","","","","","","","","","","","","acetyl(diphenyl)[?]tetrone","","CC(=O)N1C2=CC=CC=C2C3=CC4C5C(C31C6C4C(=O)N(C6=O)C7=CC=CC=C7)C(=O)N(C5=O)C8=CC=CC=C8","BATGYPOYDXEYHJ-UHFFFAOYSA-N","363857",NA,"PDBC56542","629122","Present"
-"acetylaminoacridone","","","","","","","","","","","","","","","","","","","","acetylaminoacridone","","CC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3N2","YUUATMGTPBHZLR-UHFFFAOYSA-N","359495",NA,"PDBC56543","620477","Present"
-"acetylcopiamycin","","","","","","","","","","","","","","","","","","","","acetylcopiamycin","","","","",NA,"PDBC56544","110326","Present"
-"actidione, benzoylacetate","","","","","","","","","","","","","","","","","","","","actidione, benzoylacetate","","CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)C3=CC=CC=C3)C","BCMABKOQTPATAU-BPQOCRPUSA-N","226619",NA,"PDBC56545","17257","Present"
-"acylurea","","","","","","","","","","","","","","","","","","","","acylurea","","CCC1=C(C=C(C=C1)NC(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=NC=C(C=N3)Cl","FWQBQIPETMKPHV-UHFFFAOYSA-N","361502",NA,"PDBC56546","624546","Present"
-"allyl[?]dione","","","","","","","","","","","","","","","","","","","","allyl[?]dione","","C=CCC1C(=O)NC2=CC=CC3=C2N(C1=O)C=N3","MIQRDOMWJJADKA-UHFFFAOYSA-N","393557",NA,"PDBC56547","695627","Present"
-"alpha And beta-Digoxin acetate","","","","","","","","","","","","","","","","","","","",".alpha. and .beta.-Digoxin acetate","","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)OC(=O)C)O.CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O","HHGZBZHWOWXYIL-UHFFFAOYSA-N","417451",NA,"PDBC56548","91580","Present"
-"alpha-((1-Naphthalenyloxy)methyl)-4-morpholineethanol","","","","","","","","","","","","","","","","","","","","F3368-0088","","C1COCCN1CC(COC2=CC=CC3=CC=CC=C32)O","CGTJUMFMARLZOY-UHFFFAOYSA-N","98212",NA,"PDBC56549","89457","Present"
-"alpha-((2-(1-Methylethyl)-1-aziridinyl)methyl)-2-nitro-1H-imidazole-ethanol","","","","","","","","","","","","","","","","","","","","1-(2-Isopropylaziridin-1-yl)-3-(2-nitro-1H-imidazol-1-yl...","","CC(C)C1CN1CC(CN2C=CN=C2[N+](=O)[O-])O","IOLDQEUSULQVRY-UHFFFAOYSA-N","128712",NA,"PDBC56550","601095","Present"
-"alpha-(1-Butynyl)cyclopentaneglycolic acid 3-quinuclidinyl ester","","","","","","","","","","","","","","","","","","","","LS-57978","","CCC#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O","CMEALEXDKQTIIP-UHFFFAOYSA-N","380266",NA,"PDBC56551","665743","Present"
-"alpha-(1-Propynyl)cyclopropaneglycolic acid 3-quinuclidinyl ester","","","","","","","","","","","","","","","","","","","","LS-58785","","CC#CC(C1CC1)(C(=O)OC2CN3CCC2CC3)O","WKVYOZYIPLKNSX-UHFFFAOYSA-N","56511",NA,"PDBC56552","665753","Present"
-"alpha-(1-Propynyl)mandelic acid 1-methyl-3-pyrrolidinyl ester","","","","","","","","","","","","","","","","","","","","LS-89170","","CC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(C2)C)O","MWQQUDKRJVZOJN-UHFFFAOYSA-N","58826",NA,"PDBC56553","665329","Present"
-"alpha-(2,3-Dimethoxy-6-chloroquinoxaline-5-yl)benzyl alcohol","","","","","","","","","","","","","","","","","","","","(6-Chloro-2,3-dimethoxyquinoxalin-5-yl)(phenyl)methanol","","COC1=NC2=C(C(=C(C=C2)Cl)C(C3=CC=CC=C3)O)N=C1OC","SQEBOTGWKGBEEF-UHFFFAOYSA-N","403437",NA,"PDBC56554","718238","Present"
-"alpha-(2-Methoxy-3-phenylquinoxaline-5-yl)benzyl alcohol","","","","","","","","","","","","","","","","","","","","(2-Methoxy-3-phenylquinoxalin-5-yl)(phenyl)methanol","","COC1=NC2=CC=CC(=C2N=C1C3=CC=CC=C3)C(C4=CC=CC=C4)O","RROUYFJHEBBAKK-UHFFFAOYSA-N","403438",NA,"PDBC56555","718239","Present"
-"alpha-(4-Methoxy-6,8-dichloroquinazolin-7-yl)benzyl alcohol","","","","","","","","","","","","","","","","","","","","(6,8-Dichloro-4-methoxyquinazolin-7-yl)(phenyl)methanol","","COC1=NC=NC2=C(C(=C(C=C21)Cl)C(C3=CC=CC=C3)O)Cl","RDCCSIXAVAYADF-UHFFFAOYSA-N","403435",NA,"PDBC56556","718236","Present"
-"alpha-(4-Pyridyl)benzhydrol","","","","","","","","","","","","","","","","","","","","W-107969","","C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=NC=C3)O","MRHLFZXYRABVOZ-UHFFFAOYSA-N","74177",NA,"PDBC56557","525212","Present"
-"alpha-(Benzoylamino)-4-methoxy-trans-cinnamic acid methyl ester","","","","","","","","","","","","","","","","","","","","alpha-(Benzoylamino)-4-methoxy-trans-cinnamic acid methyl ester","","COC1=CC=C(C=C1)C=C(C(=O)OC)NC(=O)C2=CC=CC=C2","WDACYIQYHUNYSE-VBKFSLOCSA-N","1271525",NA,"PDBC56558","619824","Present"
-"alpha-(Phenylethynyl)mandelic acid 3-quinuclidinyl ester","","","","","","","","","","","","","","","","","","","","LS-89160","","C1CN2CCC1C(C2)OC(=O)C(C#CC3=CC=CC=C3)(C4=CC=CC=C4)O","IHKNDYGDKUBCFR-UHFFFAOYSA-N","56512",NA,"PDBC56559","665687","Present"
-"alpha-2'-Deoxythioguanosine","","","","","","","","","","","","","","","","","","","","Beta-Thioguanine Deoxyriboside///A-TGdR","","C1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O","SCVJRXQHFJXZFZ-UHFFFAOYSA-N","3032861",NA,"PDBC56560","71261///71851","Present"
-"alpha-Amino-4-(3-nitrophenyl)-2-thiazolebutanoic acid","","","","","","","","","","","","","","","","","","","","2-Amino-4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanoic acid","","C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)CCC(C(=O)O)N","DHPIFJWVFMLLKD-UHFFFAOYSA-N","363919",NA,"PDBC56561","629308","Present"
-"alpha-Apoallobetulin","","","","","","","","","","","","","","","","","","","",".alpha.-Apoallobetulin","","CC(C)C1=C2CCC3(C(C2(CC1)C)CCC4C3(CCC56C4C(C(CC5)(C)C)OC6)C)C","XIZAYEJGPTUGCZ-UHFFFAOYSA-N","242324",NA,"PDBC56562","50882","Present"
-"alpha-Benzoyl-beta(beta-thienyl)-acrylonitrile","","","","","","","","","","","","","","","","","","","",".alpha.-Benzoyl-.beta.(.beta.-thienyl)-acrylonitrile","","C1=CC=C(C=C1)C(=O)C(=CC2=CSC=C2)C#N","KZVMODBOSJMHOE-JYRVWZFOSA-N","50990109",NA,"PDBC56563","643157","Present"
-"alpha-Benzoyl-beta-(2-pyridyl) ethyl acrylate","","","","","","","","","","","","","","","","","","","",".alpha.-Benzoyl-.beta.-(2-pyridyl) ethyl acrylate","","CCOC(=O)C(=CC1=CC=CC=N1)C(=O)C2=CC=CC=C2","INQZNIPXRYJLCW-NTCAYCPXSA-N","50990111",NA,"PDBC56564","643038","Present"
-"alpha-Benzoyl-beta-(2-pyrryl)acrylonitrile","","","","","","","","","","","","","","","","","","","",".alpha.-Benzoyl-.beta.-(2-pyrryl)acrylonitrile","","C1=CC=C(C=C1)C(=O)C(=CC2=CC=CN2)C#N","TUKFFPXAFXRQFV-FMIVXFBMSA-N","5871006",NA,"PDBC56565","643150","Present"
-"alpha-Benzoyl-beta-(3-pyridyl)acrylonitrile","","","","","","","","","","","","","","","","","","","",".alpha.-Benzoyl-.beta.-(3-pyridyl)acrylonitrile","","C1=CC=C(C=C1)C(=O)C(=CC2=CN=CC=C2)C#N","XQVLGKFQGZQIKL-ZROIWOOFSA-N","54598753",NA,"PDBC56566","643144","Present"
-"alpha-Benzoyl-beta-(3-pyridyl)ethylene","","","","","","","","","","","","","","","","","","","","3-(3-PYRIDYL)-ACRYLOPHENONE","","C1=CC=C(C=C1)C(=O)C=CC2=CN=CC=C2","MHYINARESROASH-CMDGGOBGSA-N","5354062",NA,"PDBC56567","196","Present"
-"alpha-Benzylcyclopropaneglycolic acid 3-quinuclidinyl ester","","","","","","","","","","","","","","","","","","","","LS-58784","","C1CC1C(CC2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O","CFCSBBISFREYTC-UHFFFAOYSA-N","58168",NA,"PDBC56568","665691","Present"
-"alpha-Bromo-gamma-valerolactone","","","","","","","","","","","","","","","","","","","","VZ31229","","CC1CC(C(=O)O1)Br","FLOKBGAYTGLYGR-UHFFFAOYSA-N","98229",NA,"PDBC56569","91486","Present"
-"alpha-Bromoacetophenone O-(phenylcarbamoyl)oxime","","","","","","","","","","","","","","","","","","","","[(E)-(2-Bromo-1-phenylethylidene)amino] N-phenylcarbamate","","C1=CC=C(C=C1)C(=NOC(=O)NC2=CC=CC=C2)CBr","HGRCHYGLDVPBII-JXAWBTAJSA-N","9572474",NA,"PDBC56570","717187","Present"
-"alpha-Bromochalcone","","","","","","","","","","","","","","","","","","","",".alpha.-Bromochalcone","","C1=CC=C(C=C1)C=C(C(=O)C2=CC=CC=C2)Br","KRLKFHWRCHJJGA-KAMYIIQDSA-N","5383396",NA,"PDBC56571","32212","Present"
-"alpha-Cyclodextrin, sodium salt","","","","","","","","","","","","","","","","","","","",".alpha.-Cyclodextrin, compd. with hydroxy(2-pyridinyl) d...","","C1=CC=NC(=C1)NN=O.C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O.[Na+]","HHURMDKVXQZFPB-UHFFFAOYSA-N","54604827",NA,"PDBC56572","601346","Present"
-"alpha-Cyclohexanoblastine methanesulfonate salt","","","","","","","","","","","","","","","","","","","",".alpha.-Cyclohexanoblastine methanesulfonate salt","","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CC7CN(CCC8=C6NC9=CC=CC=C89)CC1C7CCCC1)C(=O)OC)OC)C.COS(=O)(=O)O","QOTVOWMCBCDJIY-SYZXSXPESA-N","11970033",NA,"PDBC56573","655616","Present"
-"alpha-Cyclohexyl-beta-(3,5-diiodo-4-hydroxyphenyl)propionic acid","","","","","","","","","","","","","","","","","","","","Alpha-Cyclohexyl-Beta-(35-Diiodo-4-Hydroxyphenyl)Propionic Acid","","C1CCC(CC1)C(CC2=CC(=C(C(=C2)I)O)I)C(=O)O","IPJUCJDVODBCRQ-UHFFFAOYSA-N","22792",NA,"PDBC56574","32963","Present"
-"alpha-Cyclopentoblastine methanesulfonate salt","","","","","","","","","","","","","","","","","","","",".alpha.-Cyclopentoblastine methanesulfonate salt","","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CC7CN(CCC8=C6NC9=CC=CC=C89)CC1C7CCC1)C(=O)OC)OC)C.COS(=O)(=O)O","XUQAHZBKBGWRQR-UXIFXUQNSA-N","11970004",NA,"PDBC56575","651727","Present"
-"alpha-Cyclopiazonic acid","","","","","","","","","","","","","","","","","","","","cyclopiazonic acid","","CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O","SZINUGQCTHLQAZ-UHFFFAOYSA-N","54675761",NA,"PDBC56576","117181","Present"
-"alpha-D-Glucopyranose, 4,6-O-(phenylmethylene)-","","","","","","","","","","","","","","","","","","","",".alpha.-D-glucopyranose, 4,6-O-(phenylmethylene)-","","C1C2C(C(C(C(O2)O)O)O)OC(O1)C3=CC=CC=C3","FOLRUCXBTYDAQK-UHFFFAOYSA-N","100089",NA,"PDBC56577","333861","Present"
-"alpha-D-Glucopyranoside, beta-D-fructofuranosyl","","","","","","","","","","","","","","","","","","","","sugar","","C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O","CZMRCDWAGMRECN-UHFFFAOYSA-N","1115",NA,"PDBC56578","406942","Present"
-"alpha-D-Glucopyranoside, methyl 3-deoxy-3-[[(methylnitrosoamino)carbonyl]amino]-","","","","","","","","","","","","","","","","","","","",".alpha.-d-glucopyranoside, methyl 3-deoxy-3-[[(methylnit...","","CN(C(=O)NC1C(C(OC(C1O)OC)CO)O)N=O","ITMFEGUZHKHAGY-UHFFFAOYSA-N","291285",NA,"PDBC56579","160466","Present"
-"alpha-Isopropenylmandelic acid 2-methyl-3-quinuclidinyl ester","","","","","","","","","","","","","","","","","","","","LS-89124","","CC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C(=C)C)O","XNYLQHTXBORYNP-UHFFFAOYSA-N","58803",NA,"PDBC56580","665859","Present"
-"alpha-Methoxymethyl-4-o-tolyl-1-piperazineethanol methylcarbamate","","","","","","","","","","","","","","","","","","","","LS-112419","","CC1=CC=CC=C1N2CCN(CC2)CC(COC)OC(=O)NC","FQAYLEMUHCIKDA-UHFFFAOYSA-N","377668",NA,"PDBC56581","659249","Present"
-"alpha-Methyl-DL-tryptophan","","","","","","","","","","","","","","","","","","","",".alpha.-Methyltryptophan","","CC(CC1=CNC2=CC=CC=C21)(C(=O)O)N","ZTTWHZHBPDYSQB-UHFFFAOYSA-N","95438",NA,"PDBC56582","9948","Present"
-"alpha-Naphthoflavone","","","","","","","","","","","","","","","","","","","",".alpha.-Naphthoflavone","","C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3","VFMMPHCGEFXGIP-UHFFFAOYSA-N","11790",NA,"PDBC56583","407011","Present"
-"alpha-Peltatin","","","","","","","","","","","","","","","","","","","","peltatin a","","COC1=CC(=CC(=C1O)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)O)COC3=O","JGGWNGRBXJWAOC-HKJPBSJPSA-N","92129",NA,"PDBC56584","24817","Present"
-"alpha-Peltatin-5-[4,6-O-(R)-ethylidene-beta-D-glucopyranoside]","","","","","","","","","","","","","","","","","","","",".alpha.-Peltatin-5-[4,6-O-(R)-ethylidene- .beta.-D-gluco...","","CC1OCC2C(O1)C(C(C(O2)OC3=C4CC5COC(=O)C5C(C4=CC6=C3OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O","VTQDHTGCEHYFFV-UNIOWBKFSA-N","355837",NA,"PDBC56585","610385","Present"
-"alpha-Phenyl-beta-(5-nitrofuryl)acrylonitrile","","","","","","","","","","","","","","","","","","","",".alpha.-Phenyl-.beta.-(5-nitrofuryl)acrylonitrile","","C1=CC=C(C=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C#N","WQDXPOZUDGGDSD-FLIBITNWSA-N","12465488",NA,"PDBC56586","643140","Present"
-"alpha-Phenylcinnamic acid","","","","","","","","","","","","","","","","","","","",".alpha.-Phenylcinnamic acid","","C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C(=O)O","BIDDLDNGQCUOJQ-SDNWHVSQSA-N","700620",NA,"PDBC56587","40614","Present"
-"alpha-Phosphono-beta-pyrrylacrylonitrile","","","","","","","","","","","","","","","","","","","",".alpha.-Phosphono-.beta.-pyrrylacrylonitrile","","C1=CNC(=C1)C=C(C#N)P(=O)(O)O","ISQPOLJNSXGWEF-DAXSKMNVSA-N","50990815",NA,"PDBC56588","643154","Present"
-"alpha-Quaterthienyl","","","","","","","","","","","","","","","","","","","","alpha-Quaterthienyl","","C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=CS4","FXEJOIFDICYSSO-UHFFFAOYSA-N","395493",NA,"PDBC56589","700135","Present"
-"alpha-Thenylidene-2,4-pentanedione","","","","","","","","","","","","","","","","","","","",".alpha.-Thenylidene-2,4-pentanedione","","CC(=O)CC(=O)C=CC1=CC=CS1","PVDMPXHHTNQTRX-SNAWJCMRSA-N","5897631",NA,"PDBC56590","643137","Present"
-"alpha-Tomatine","","","","","","","","","","","","","","","","","","","","tomatine","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1","REJLGAUYTKNVJM-UHFFFAOYSA-N","5513",NA,"PDBC56591","9223","Present"
-"amino[?]ol","","","","","","","","","","","","","","","","","","","","amino[?]ol","","C1C(COC2=NC(=NC3=C2N1C=N3)N)O","QZMOZYLKJQQDRH-UHFFFAOYSA-N","367343",NA,"PDBC56592","636970","Present"
-"aminobenzolamide","","","","","","","","","","","","","","","","","","","","aminobenzolamide","","C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","BDLSLORLEPSOGW-UHFFFAOYSA-N","134560",NA,"PDBC56593","700707","Present"
-"aminobenzolamide 16a","","","","","","","","","","","","","","","","","","","","aminobenzolamide 16a","","CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","NQSAAPCTPUNSPD-UHFFFAOYSA-N","395815",NA,"PDBC56594","700706","Present"
-"amylphenol disulphide (polymer)","","","","","","","","","","","","","","","","","","","","amylphenol disulphide (polymer)","","","","",NA,"PDBC56595","661964","Present"
-"anhydrogossypol","","","","","","","","","","","","","","","","","","","","anhydrogossypol","","CC1=CC2=C(C(=C(C3=COC(=C23)C1=C4C(=CC5=C(C(=O)C(=O)C6=COC4=C56)C(C)C)C)O)O)C(C)C","BFBKTZSYPFPSOC-DQRAZIAOSA-N","135527138",NA,"PDBC56596","89310","Present"
-"antineoplastic-615538","","","","","","","","","","","","","","","","","","","","antineoplastic-615538","","","","",NA,"PDBC56597","615538","Present"
-"antineoplastic-637578","","","","","","","","","","","","","","","","","","","","antineoplastic-637578","","C1=CC=C2C(=C1)C=C(N=C2N=C(C3=CC=CC=N3)N)C4=CC=CC=N4","VZJMIYLTPATHJF-UHFFFAOYSA-N","463108",NA,"PDBC56598","637578","Present"
-"antineoplastic-639828","","","","","","","","","","","","","","","","","","","","antineoplastic-639828","","C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)N","LRPFTPYFADHGQJ-UHFFFAOYSA-N","368696",NA,"PDBC56599","639828","Present"
-"antineoplastic-641296","","","","","","","","","","","","","","","","","","","","antineoplastic-641296","","","","",NA,"PDBC56600","641296","Present"
-"antineoplastic-641297","","","","","","","","","","","","","","","","","","","","antineoplastic-641297","","","","",NA,"PDBC56601","641297","Present"
-"antineoplastic-651079","","","","","","","","","","","","","","","","","","","","antineoplastic-651079","","CCC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=O)N4CC4)C","NPSQJYCWTMTMAH-UHFFFAOYSA-N","374005",NA,"PDBC56602","651079","Present"
-"antineoplastic-651080","","","","","","","","","","","","","","","","","","","","antineoplastic-651080","","CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)CCl)N4CC4","PNJHXCRCPJOGIV-UHFFFAOYSA-N","374006",NA,"PDBC56603","651080","Present"
-"antineoplastic-651849","","","","","","","","","","","","","","","","","","","","antineoplastic-651849","","CC(C(=O)NC(CCC(=O)OCCCNC1C2=CC=CC=C2NC3=C1C(=CC=C3)[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","ZDPBIYQIWKMCQV-HIKCRJBTSA-N","374325",NA,"PDBC56604","651849","Present"
-"antineoplastic-d654830","","","","","","","","","","","","","","","","","","","","antineoplastic-d654830","","CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CC(=C)C(=O)O)C(=O)O","WABHENAZLPSQIE-UHFFFAOYSA-N","375312",NA,"PDBC56605","654830","Present"
-"antineoplaston as 2-1","","","","","","","","","","","","","","","","","","","","antineoplaston as 2-1","","C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O.C1=CC=C(C=C1)CC(=O)O","RUKFOASKJPYUMU-UHFFFAOYSA-N","359408",NA,"PDBC56606","620261","Present"
-"ap5p197","","","","","","","","","","","","","","","","","","","","ap5p197","","CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N3CC4=CC=CC=C4CC3C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C5CCCN5C(=O)C(C)O)C)CC(C)C)C)C(C)C)O","PIASWAFHPBKZPP-ATFCUGFSSA-N","397427",NA,"PDBC56607","705262","Present"
-"aplasmomycin","","","","","","","","","","","","","","","","","","","","aplasmomycin","","","","",NA,"PDBC56608","291329","Present"
-"ara ac","","","","","","","","","","","","","","","","","","","","ara ac","","C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N","NMUSYJAQQFHJEW-UHFFFAOYSA-N","1805",NA,"PDBC56609","281272","Present"
-"au 154","","","","","","","","","","","","","","","","","","","","au 154","","C1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2NC=N3)N","QRUFUCSHMMQYIA-UHFFFAOYSA-N","3781442",NA,"PDBC56610","38309","Present"
-"azido(benzyl)[?]dione","","","","","","","","","","","","","","","","","","","","azido(benzyl)[?]dione","","C1CC2=C3C(=CC=C2)C(=O)C(C(=O)N3C1)(CC4=CC=CC=C4)N=[N+]=[N-]","AEPONWAIPDMTRB-UHFFFAOYSA-N","375225",NA,"PDBC56611","654618","Present"
-"azobis-n,n'-dimethyleneisobutyroamidine","","","","","","","","","","","","","","","","","","","","azobis-n,n'-dimethyleneisobutyroamidine","","CC(C)(C1=NCCN1)N=NC(C)(C)C2=NCCN2","LWMFAFLIWMPZSX-UHFFFAOYSA-N","88715",NA,"PDBC56612","668414","Present"
-"azotol o","","","","","","","","","","","","","","","","","","","","azotol o","","COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)Cl)OC","XDWATWCCUTYUDE-UHFFFAOYSA-N","66714",NA,"PDBC56613","50687","Present"
-"b 80568","","","","","","","","","","","","","","","","","","","","b 80568","","","","",NA,"PDBC56614","75603","Present"
-"b-N-Galactopyranosylbenzocamalexin,7a-dihydro-indol-1-yl)-6-hydroxyme thyl-tetrahydro-pyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","alpha-N-mannopyranosylbenzocamalexin, 2-(3-Benzothiazol-...","","C1=CC=C2C(=C1)N=C(S2)C3=CN(C4C3C=CC=C4)C5C(C(C(C(O5)CO)O)O)O","AIKGFWMFSRLVFN-UHFFFAOYSA-N","24204283",NA,"PDBC56615","731175","Present"
-"b-N-Glucopyranosyl-6-methoxy-benzocamalexin,7a-dih ydro-indol-1-yl]-tetrahydro-pyran-3,4,5-triol","","","","","","","","","","","","","","","","","","","","b-N-glucopyranosyl-6-methoxy-benzocamalexin, 2-Hydroxyme...","","COC1=CC2=C(C=C1)N=C(S2)C3=CN(C4C3C=CC=C4)C5C(C(C(C(O5)CO)O)O)O","KZJPNKVTKSKPAY-UHFFFAOYSA-N","24204590",NA,"PDBC56616","732275","Present"
-"b3-Hval-b3-hSer(a-D-GalNAc)-b3-hGlu-b3-hVal-b3-hOrn-b3-hOrn-b3-hVal","","","","","","","","","","","","","","","","","","","","b3-hVal-b3-hSer(a-D-GalNAc)-b3-hGlu-b3-hVal-b3-hOrn-b3-h...","","CC(C)C(CC(=O)NC(CC(=O)NC(CC(=O)NC(CC(=O)NC(CCCN)CC(=O)NC(CCCN)CC(=O)NC(CC(=O)N)C(C)C)C(C)C)CC(=O)O)COC1C(C(C(C(O1)CO)O)O)NC(=O)C)N","UVBNHPJGZNXOOT-YOWISXNPSA-N","45028380",NA,"PDBC56617","742382","Present"
-"b720389k237","","","","","","","","","","","","","","","","","","","","b720389k237","","CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4)NC(=O)C(C(C)C)N(C)C","LQKSHSFQQRCAFW-UHFFFAOYSA-N","357989",NA,"PDBC56618","617668","Present"
-"bafilomycin antibiotic","","","","","","","","","","","","","","","","","","","","bafilomycin antibiotic","","","","",NA,"PDBC56619","381867","Present"
-"bdea","","","","","","","","","","","","","","","","","","","","bdea","","CC1=CC(=NN1CCNCCN2C(=CC(=N2)C)C)C","AZQZJVVZBGCHSV-UHFFFAOYSA-N","361753",NA,"PDBC56620","625019","Present"
-"beauvericin (8ci, 9ci)","","","","","","","","","","","","","","","","","","","","beauvericin (8ci, 9ci)","","CC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C","GYSCAQFHASJXRS-UHFFFAOYSA-N","105014",NA,"PDBC56621","708472","Present"
-"benzaldehyde, 4-chloro-, 1-naphthalenylsemicarbazone","","","","","","","","","","","","","","","","","","","","benzaldehyde, 4-chloro-, 1-naphthalenylsemicarbazone","","C1=CC=C2C(=C1)C=CC=C2NC(=O)NN=CC3=CC=C(C=C3)Cl","ITJYHKKSTAXFNS-NDENLUEZSA-N","5923589",NA,"PDBC56622","680933","Present"
-"benzene-1,3,5-triyl tris(4-azidobenzenesulfonate)","","","","","","","","","","","","","","","","","","","","benzene-1,3,5-triyl tris(4-azidobenzenesulfonate)","","C1=CC(=CC=C1N=[N+]=[N-])S(=O)(=O)OC2=CC(=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)N=[N+]=[N-])OS(=O)(=O)C4=CC=C(C=C4)N=[N+]=[N-]","PTKYANZMPAIAMU-UHFFFAOYSA-N","365586",NA,"PDBC56623","633385","Present"
-"benzimidazol -thiosemicarbazone derivative","","","","","","","","","","","","","","","","","","","","benzimidazol -thiosemicarbazone derivative","","CC(=NNC(=S)N)C1=NC2=C(N1)C=C(C=C2)Cl","HYDYLXXLOQIZEL-PJQLUOCWSA-N","136040128",NA,"PDBC56624","753139","Present"
-"benzoyl chloride-aluminum trichloride adduct","","","","","","","","","","","","","","","","","","","","benzoyl chloride-aluminum trichloride adduct","","C1CC(OC1)N2C=NC3=C2N=CN=C3I","RYQICVCDORWEBG-UHFFFAOYSA-N","239743",NA,"PDBC56625","45152","Present"
-"benzoyl(diphenyl)[?]dione","","","","","","","","","","","","","","","","","","","","benzoyl(diphenyl)[?]dione","","C1CC2(C3C(C1(O2)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6","OXEKLCAFUFECLU-UHFFFAOYSA-N","379188",NA,"PDBC56626","663596","Present"
-"benzyl(methyl)[?]one","","","","","","","","","","","","","","","","","","","","benzyl(methyl)[?]one","","CC1=NC=C2C(=O)C3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)OC2=N1","LLFSQXVLTAXIIX-UHFFFAOYSA-N","385571",NA,"PDBC56627","676861","Present"
-"benzyl[?]imine","","","","","","","","","","","","","","","","","","","","benzyl[?]imine","","C1=CC=C(C=C1)CN2C=NC3=C(C2=N)SC4=NC5=CC=CC=C5N34","JCANAWSYQGFXKK-UHFFFAOYSA-N","392245",NA,"PDBC56628","692381","Present"
-"benzyl[?]ol","","","","","","","","","","","","","","","","","","","","benzyl[?]ol","","C1=CC=C(C=C1)CC2=NC3=C(C(=O)N2)SC4=NC5=CC=CC=C5N34","RARFCZROECBQAX-UHFFFAOYSA-N","135465259",NA,"PDBC56629","687827","Present"
-"benzyloxy[?]","","","","","","","","","","","","","","","","","","","","benzyloxy[?]","","C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC4=C5C6=CC=CC=C6NC5=CN=C34","IIPOBNNPOSRPLC-UHFFFAOYSA-N","363117",NA,"PDBC56630","627685","Present"
-"beta,beta'-Methylenedithiodialanine","","","","","","","","","","","","","","","","","","","","djenkolate","","C(C(C(=O)O)N)SCSCC(C(=O)O)N","JMQMNWIBUCGUDO-UHFFFAOYSA-N","253305",NA,"PDBC56631","76076","Present"
-"beta-(1-Naphthyl)-alpha-benzoylacrylonitrile","","","","","","","","","","","","","","","","","","","",".beta.-(1-Naphthyl)-.alpha.-benzoylacrylonitrile","","C1=CC=C(C=C1)C(=O)C(=CC2=CC=CC3=CC=CC=C32)C#N","CUHDXUGRLHCEBO-AQTBWJFISA-N","21142149",NA,"PDBC56632","643187","Present"
-"beta-(2-Aminophenyl)-3'-(trifluoromethyl)propiolophenone","","","","","","","","","","","","","","","","","","","","3-(2-Aminophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-yn-1-one","","C1=CC=C(C(=C1)C#CC(=O)C2=CC(=CC=C2)C(F)(F)F)N","FPMQUVBYTGQFPJ-UHFFFAOYSA-N","403529",NA,"PDBC56633","718545","Present"
-"beta-(5-Hydroxy-2-pyridyl)alanine","","","","","","","","","","","","","","","","","","","","2-Aza-DL-tyrosine","","C1=CC(=NC=C1O)CC(C(=O)O)N","YOZSEGPJAXTSFZ-UHFFFAOYSA-N","122047",NA,"PDBC56634","676454","Present"
-"beta-7-Butyl-Swainsonine","","","","","","","","","","","","","","","","","","","",".beta.-7-Butyl-Swainsonine","","CCCCC1CCN2CC(C(C2C1O)O)O","XVUPRKGVSFXXQZ-VSSNEEPJSA-N","389719",NA,"PDBC56635","686311","Present"
-"beta-Alanyl-L-histidine","","","","","","","","","","","","","","","","","","","","ignotine","","C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN","CQOVPNPJLQNMDC-UHFFFAOYSA-N","9369",NA,"PDBC56636","524045","Present"
-"beta-Amanitin","","","","","","","","","","","","","","","","","","","",".beta.-Amanitin","","CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)O","IEQCUEXVAPAFMQ-UHFFFAOYSA-N","2276",NA,"PDBC56637","627727","Present"
-"beta-COLUBRINE","","","","","","","","","","","","","","","","","","","","COLUBRINE, BETA","","COC1=CC2=C(C=C1)N3C4C25CCN6C5CC7C4C(CC3=O)OCC=C7C6","ZTHVHELPCLGXHF-JPPAUQSISA-N","251890",NA,"PDBC56638","72862","Present"
-"beta-Carotene, all-trans-","","","","","","","","","","","","","","","","","","","","Beta-Carotene","","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C","OENHQHLEOONYIE-QGWNBGMGSA-N","54603957",NA,"PDBC56639","62794","Present"
-"beta-Cyclohexanoblastine","","","","","","","","","","","","","","","","","","","",".beta.-Cyclohexanoblastine","","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CC7CN(CCC8=C6NC9=CC=CC=C89)CC1C7CCCC1)C(=O)OC)OC)C.COS(=O)(=O)O","QOTVOWMCBCDJIY-ZHGINRBASA-N","11970034",NA,"PDBC56640","655617","Present"
-"beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl","","","","","","","","","","","","","","","","","","","","salicin","","C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O","NGFMICBWJRZIBI-UHFFFAOYSA-N","5145",NA,"PDBC56641","5751","Present"
-"beta-D-Glucopyranosylamine,N'-(iminodi-2,1-ethanediyl)bis-, monohydrochloride","","","","","","","","","","","","","","","","","","","",".beta.-D-Glucopyranosylamine, N,N'-(iminodi-2,1-ethanedi...///NSC706966///NSC707409","","C(CNC1C(C(C(C(O1)CO)O)O)O)NCCNC2C(C(C(C(O2)CO)O)O)O.Cl","HHKRMEOZZYIERG-UHFFFAOYSA-N","397918",NA,"PDBC56642","706965///706966///707409","Present"
-"beta-D-Ribofuranosylamine, N-(8-methoxypyrimido[5,4-d]pyrimidin-4-yl)-","","","","","","","","","","","","","","","","","","","",".beta.-D-Ribofuranosylamine, N-(8-methoxypyrimido[5,4-d]...","","COC1=NC=NC2=C1N=CN=C2NC3C(C(C(O3)CO)O)O","GJKFEQPZRZBOJH-UHFFFAOYSA-N","359612",NA,"PDBC56643","620635","Present"
-"beta-Ethyl-4-methoxy-beta-nitrostyrene","","","","","","","","","","","","","","","","","","","","A807993","","CCC(=CC1=CC=C(C=C1)OC)[N+](=O)[O-]","RAKQDPNZDWUGOD-NTMALXAHSA-N","49791585",NA,"PDBC56644","14008","Present"
-"beta-Miroside","","","","","","","","","","","","","","","","","","","","beta-Miroside","","C1C=C(C(=O)O1)COC2C(C(C(C(O2)CO)O)O)O","GSLHWELOFRNCTI-UHFFFAOYSA-N","389209",NA,"PDBC56645","684912","Present"
-"beta-N-Ribofuranosylbenzocamalexin,7a-dihydro-indol-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol","","","","","","","","","","","","","","","","","","","","beta-N-ribofuranosylbenzocamalexin, 2-(3-Benzothiazol-2-...","","C1=CC=C2C(=C1)N=C(S2)C3=CN(C4C3C=CC=C4)C5C(C(C(O5)CO)O)O","BLKXLIRWXMOUGQ-UHFFFAOYSA-N","24204284",NA,"PDBC56646","731178","Present"
-"beta-Peltatin","","","","","","","","","","","","","","","","","","","","NSC24819///NSC35471","","COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)O)COC3=O","HLBPOYVRLSXWJJ-PDSMFRHLSA-N","92122",NA,"PDBC56647","24819///35471","Present"
-"beta-Phenylalanine, 6,12b-diacetoxy-12-(benzoyloxy)-2a,3,3a,4,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, sodium salt","","","","","","","","","","","","","","","","","","","",".beta.-Phenylalanine, N-benzoyl-2-[[(2-carboxyethyl) car...","","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.[Na+]","LEGMHFWVKDZLGP-CDPHTNRPSA-N","54608019",NA,"PDBC56648","600221","Present"
-"beta-Resorcylaldehyde,4-phthalazinediyldihydrazone","","","","","","","","","","","","","","","","","","","",".beta.-Resorcylaldehyde, 1,4-phthalazinediyldihydrazone","","C1=CC=C2C(=C1)C(=NN=C2NN=CC3=C(C=C(C=C3)O)O)NN=CC4=C(C=C(C=C4)O)O","KHMFQNBWCPWXQN-ASIDMNOUSA-N","135509574",NA,"PDBC56649","103837","Present"
-"beta-Rhodomycin","","","","","","","","","","","","","","","","","","","",".beta.-Rhodomycin","","CCC1CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O.CC1C(CCC(O1)O)O.CC1C(C(CC(O1)O)N(C)C)O","KXFLRDGRXPJAFE-UHFFFAOYSA-N","418587",NA,"PDBC56650","102813","Present"
-"beta-Scillarenin","","","","","","","","","","","","","","","","","","","","scillarenin","","CC12CCC(C=C1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O","OVUOVMIMOCJILI-GDWHAHJOSA-N","314799",NA,"PDBC56651","234669","Present"
-"beta-Sitosterol 3-O-beta-D-galactopyranoside","","","","","","","","","","","","","","","","","","","","bssg","","CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C","NPJICTMALKLTFW-UHFFFAOYSA-N","296119",NA,"PDBC56652","165962","Present"
-"bis(2,4-dichlorophenyl)[?]","","","","","","","","","","","","","","","","","","","","bis(2,4-dichlorophenyl)[?]","","C1=CC=C2C(=C1)N3C(=NN=C3C4=NN=C(N24)C5=C(C=C(C=C5)Cl)Cl)C6=C(C=C(C=C6)Cl)Cl","HUZVVPZXARPKCM-UHFFFAOYSA-N","370489",NA,"PDBC56653","643711","Present"
-"bis(2-tert-butylphenyl)[?]trione","","","","","","","","","","","","","","","","","","","","bis(2-tert-butylphenyl)[?]trione","","CC(C)(C)C1=CC=CC=C1N2C3=CC=C4C5=C(C=CC(=C35)C2=O)C(=O)N(C4=O)C6=CC=CC=C6C(C)(C)C","NCICBBPVHVNRCC-UHFFFAOYSA-N","392636",NA,"PDBC56654","693216","Present"
-"bis-p-tolyl[?]","","","","","","","","","","","","","","","","","","","","bis-p-tolyl[?]","","CC1=CC=C(C=C1)C2=C3C4CCC(C4)C3=C(S2)C5=CC=C(C=C5)C","VUYJQNGDBIDWOQ-UHFFFAOYSA-N","381277",NA,"PDBC56655","667713","Present"
-"bluensomycin","","","","","","","","","","","","","","","","","","","","bluensomycin","","CC1C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O.C(=N)(N)N.C(=O)(N)O.OS(=O)(=O)O","WTQVKIMUXFERGB-UHFFFAOYSA-N","270021",NA,"PDBC56656","111930","Present"
-"bromo(hydroxy)[?]one","","","","","","","","","","","","","","","","","","","","bromo(hydroxy)[?]one","","C1CC2=NC3=C(C4=C(S3)C(=C(C=C4)Br)O)C(=O)N2C1","PCJYQCZDTDWCQW-UHFFFAOYSA-N","374194",NA,"PDBC56657","651670","Present"
-"butyl orange","","","","","","","","","","","","","","","","","","","","butyl orange","","CCCCN(CCCC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O","DANYDKIZJCAJNC-UHFFFAOYSA-N","97033",NA,"PDBC56658","97368","Present"
-"butyl-hydroxy-diisopropoxy-[?]one","","","","","","","","","","","","","","","","","","","","butyl-hydroxy-diisopropoxy-[?]one","","CCCCC1C=CN2C3=C1C(=C(C(=C3OC2=O)OC(C)C)OC(C)C)O","DFSOQNGAKCUVML-UHFFFAOYSA-N","394549",NA,"PDBC56659","698094","Present"
-"c.i. 37541","","","","","","","","","","","","","","","","","","","","c.i. 37541","","CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=CC=CC=C3C=C2O","COXPEQKIFMVQIO-UHFFFAOYSA-N","78844",NA,"PDBC56660","50689","Present"
-"calactin","","","","","","","","","","","","","","","","","","","","calactin","","CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O","OWPWFVVPBYFKBG-AMJZKRQHSA-N","373676",NA,"PDBC56661","650471","Present"
-"calcon","","","","","","","","","","","","","","","","","","","","calcon","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O)O.[Na+]","ZQWICJYATMSSSD-UHFFFAOYSA-N","135422056",NA,"PDBC56662","47714","Present"
-"callyspongiolide","","","","","","","","","","","","","","","","","","","","callyspongiolide","","CC1CC=CC(=O)OC(C(C=CC(CC(C1)OC(=O)N)C)C)C=CC#CC=CC(C)(C)C(C2=C(C(=CC=C2)O)Br)O","FNDISSRVLCJOOY-HHMBUIEWSA-N","132184548",NA,"PDBC56663","801656","Present"
-"canadaline","","","","","","","","","","","","","","","","","","","","canadaline","","CN1CCC2=CC3=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC)C=O)OCO3","ROAHDZJDHGLGBA-UHFFFAOYSA-N","321459",NA,"PDBC56664","272358","Present"
-"carubicin (usan)","","","","","","","","","","","","","","","","","","","","carubicin (usan)","","","","",NA,"PDBC56665","305264","Present"
-"carzinostatin","","","","","","","","","","","","","","","","","","","","carzinostatin","","","","",NA,"PDBC56666","157365","Present"
-"celsioside","","","","","","","","","","","","","","","","","","","","celsioside","","","","",NA,"PDBC56667","162675","Present"
-"chloro(diphenyl)[?]dione; triphenylphosphane","","","","","","","","","","","","","","","","","","","","chloro(diphenyl)[?]dione; triphenylphosphane","","","","",NA,"PDBC56668","630735","Present"
-"chloro[?] dioxide","","","","","","","","","","","","","","","","","","","","chloro[?] dioxide","","C1CC2=C3C(=CC(=C2)Cl)S(=O)(=O)C4=CC=CC=C4N3C1","XUOZHPAZBKXBSI-UHFFFAOYSA-N","380118",NA,"PDBC56669","665520","Present"
-"cholera toxin","","","","","","","","","","","","","","","","","","","","cholera toxin","","","","",NA,"PDBC56670","629801","Present"
-"chromium, chloropentaamine-, dichloride","","","","","","","","","","","","","","","","","","","","chromium, chloropentaamine-, dichloride","","","","",NA,"PDBC56671","56200","Present"
-"cis,trans-5'-Hydroxythalidomide","","","","","","","","","","","","","","","","","","","","cps3","","C1C(C(=O)NC(=O)C1O)N2C(=O)C3=CC=CC=C3C2=O","HHTOWVWIVBSOKC-UHFFFAOYSA-N","9878646",NA,"PDBC56672","726792","Present"
-"cis-(1,O2)Bis(1-phenyl-butane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-(1,2-Dihydroxy-3-methoxybenzolato-O1,O2)bis(1-phenyl...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.COC1=CC=CC(=C1[O-])[O-].[Ti+4]","LFHLKMKYEQRHFP-UHFFFAOYSA-L","11979328",NA,"PDBC56673","637218","Present"
-"cis-(Anthrachinone-2-hydroxy-1-olato)ethoxybis (1-phenylbutane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-(Anthrachinone-2-hydroxy-1-olato)ethoxybis (1-phenyl...","","CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[O-].[Ti+4]","AZAPYJSMAQBIME-UHFFFAOYSA-M","11979333",NA,"PDBC56674","638735","Present"
-"cis-(Diaminoazacycloheptane-2,2-diphosphonatoplatinum(II)","","","","","","","","","","","","","","","","","","","","cis-(Diaminoazacycloheptane-2,2-diphosphonatoplatinum(II)","","C1CCC(NCC1)(P(=O)([O-])[O-])P(=O)([O-])[O-].N.N.[Pt+2]","OZTOCHCOHYIBRF-UHFFFAOYSA-J","24202204",NA,"PDBC56675","632615","Present"
-"cis--6-(3-Chloropropyl)-5,12,13-tetrahydro-2,3-dimethoxy-9,10-methylenedioxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoqu inoline","","","","","","","","","","","","","","","","","","","","cis--6-(3-Chloropropyl)-5,6,12,13-tetrahydro-2,3-dimetho...","","C1OC2=C(O1)C=C3C(=C2)C4C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCCl","KOLCHVKMORPDSP-QZTJIDSGSA-N","44346852",NA,"PDBC56676","729359","Present"
-"cis-2,6,12,13-Pentahydro-6-methyl-(8,9-methylenedioxy)-3-n itro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","cis-2,5,6,12,13-Pentahydro-6-methyl-(8,9-methylenedioxy)...","","CN1C2C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=C(C=C24)OCO5.C(Cl)(Cl)Cl","ZCHZWUHMHXXJPB-QNBGGDODSA-N","45027874",NA,"PDBC56677","730009","Present"
-"cis-2,6-Diphenyltetrahydropyrone","","","","","","","","","","","","","","","","","","","","Cis-2,6-Diphenyltetrahydropyrone","","C1C(OC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3","CNCKPUJDRCRAJV-CALCHBBNSA-N","388786",NA,"PDBC56678","683871","Present"
-"cis-2-Methyl-3-quinuclidyl benzilate hydrochloride","","","","","","","","","","","","","","","","","","","","NSC665683","","CC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl","VLQJMXTYEGGKEY-UHFFFAOYSA-N","380208",NA,"PDBC56679","665683","Present"
-"cis-3-O-p-Hydroxycinnamoyl ursolic acid","","","","","","","","","","","","","","","","","","","","cis-3-O-p-hydroxycinnamoyl ursolic acid","","CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)C)C2C1C)C)C(=O)O","ZOXDAGKKDOEJBW-HNPRZPGGSA-N","24203732",NA,"PDBC56680","729211","Present"
-"cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexaneacetic acid","","","","","","","","","","","","","","","","","","","","NSC175377///NSC204816","","C1CC(CCC1CC(=O)O)NC(=O)N(CCCl)N=O","RGSCZHWAYJQOJX-UHFFFAOYSA-N","98897",NA,"PDBC56681","175377///204816","Present"
-"cis-6-(2-Dimethylamino-1-ethyl)-5,12,13-tetrahydro-2,3-dim ethoxy-8,9-(methylenedioxy)-5,11-dioxo-11H-indeno-[1,2-c]iso quinoline","","","","","","","","","","","","","","","","","","","","Cis-6-(2-dimethylamino-1-ethyl)-5,6,12,13-tetrahydro-2,3...","","CN(C)CCN1C2C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C24)OCO5","LBMSKFHTLSHNPT-SFTDATJTSA-N","45027831",NA,"PDBC56682","726770","Present"
-"cis-6-(3-Bromopropyl)-12,9,10-trimethoxy-3-nitr o-5,11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","cis-6-(3-Bromopropyl)-12,13-dihydro-8,9,10-trimethoxy-3-...","","COC1=C(C(=C2C(=C1)C3C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC)OC","CIEWUCHYUNPKCX-SJLPKXTDSA-N","16098814",NA,"PDBC56683","733502","Present"
-"cis-6-(3-Bromopropyl)-12,9-dimethoxy-3-nitro-5, 11-dioxo-11H-indeno[1,2-c]isoquinoline","","","","","","","","","","","","","","","","","","","","cis-6-(3-Bromopropyl)-12,13-dihydro-8,9-dimethoxy-3-nitr...","","COC1=C(C=C2C(=C1)C3C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC","NOFPBGDZYDLRCL-RTBURBONSA-N","16098831",NA,"PDBC56684","733503","Present"
-"cis-6-(3-Bromopropyl)-5,12,13-tetrahydro-2,3-dimethoxy-9,1 0-methylenedioxy-3-nitro-5,11-dioxo-11H-indeno{1,2-c]isoquin oline","","","","","","","","","","","","","","","","","","","","cis-6-(3-Bromopropyl)-5,6,12,13-tetrahydro-2,3-dimethoxy...","","C1OC2=C(O1)C=C3C(=C2)C4C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCBr","CSQJIIYGYVBEJH-QZTJIDSGSA-N","10095710",NA,"PDBC56685","727625","Present"
-"cis-7,8-Dioxaspirodecan-2-one","","","","","","","","","","","","","","","","","","","","Cis-7,9-diphenyl-3-methylene-1,8-dioxaspirodecan-2-one","","C=C1CC2(CC(OC(C2)C3=CC=CC=C3)C4=CC=CC=C4)OC1=O","KYNODWLDEFWGRT-PMSBKCLSSA-N","357605",NA,"PDBC56686","617128","Present"
-"cis-Aconitic acid","","","","","","","","","","","","","","","","","","","","citridic acid","","C(C(=CC(=O)O)C(=O)O)C(=O)O","GTZCVFVGUGFEME-IWQZZHSRSA-N","643757",NA,"PDBC56687","7616","Present"
-"cis-Amminedichloro(4-methoxyphenethylamine)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Amminedichloro(4-methoxyphenethylamine)platinum(II)","","","","",NA,"PDBC56688","631306","Present"
-"cis-Amminedichloro[2-(3,4-dimethoxyphenyl)ethylamine] pl...","","","","","","","","","","","","","","","","","","","","cis-Amminedichloro[2-(3,4-dimethoxyphenyl)ethylamine] pl...","","","","",NA,"PDBC56689","631304","Present"
-"cis-Benzoatochlorobis(1-phenylbutane-1,3-dionato)titaniu...","","","","","","","","","","","","","","","","","","","","cis-Benzoatochlorobis(1-phenylbutane-1,3-dionato)titaniu...","","","","",NA,"PDBC56690","638375","Present"
-"cis-Bis(1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Bis(1,4-dihydroxybenzolato-O1)bis(1-phenylbutane-1,3...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC(=CC=C1O)[O-].C1=CC(=CC=C1O)[O-].[Ti+4]","IQXNQCWRFTUXFM-UHFFFAOYSA-L","11979329",NA,"PDBC56691","637219","Present"
-"cis-Bis(1-carboxy-4-hydroxybenzolato)bis(1-phenylbutane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Bis(1-carboxy-4-hydroxybenzolato)bis(1-phenylbutane-...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC(=CC=C1C(=O)[O-])[O-].C1=CC(=CC=C1C(=O)[O-])[O-].[Ti+4]","QHUDMIIRDVBHFF-UHFFFAOYSA-J","24202318",NA,"PDBC56692","638378","Present"
-"cis-Bis(1-phenylbutane-1,3-dionato)bispyridiniumhydro chloride-2-olato)titanium(IV)-dihydrate","","","","","","","","","","","","","","","","","","","","cis-Bis(1-phenylbutane-1,3-dionato)bispyridiniumhydro ch...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=NC(=C1)[O-].C1=CC=NC(=C1)[O-].Cl.[Ti+4]","IPXSMMNOIOZRKX-UHFFFAOYSA-L","24202298",NA,"PDBC56693","637814","Present"
-"cis-Bis(2-ethoxyethanolato)bis(1-phenylbutane-1,3-dionato) titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Bis(2-ethoxyethanolato)bis(1-phenylbutane-1,3-dionat...","","CCOCC[O-].CCOCC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","XDNYTJKRGSQLET-UHFFFAOYSA-N","367797",NA,"PDBC56694","637812","Present"
-"cis-Bis(2-hydroxyacetato-O1-)bis(1-phenylbutane-1,3-dionato) titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Bis(2-hydroxyacetato-O1-)bis(1-phenylbutane-1,3-dion...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C(C(=O)[O-])[O-].C(C(=O)[O-])[O-].[Ti+4]","VGEMIIYIQFRKAI-UHFFFAOYSA-L","367798",NA,"PDBC56695","637813","Present"
-"cis-Bis(N,3-dionato)hafnium(IV)-dihydrochloride","","","","","","","","","","","","","","","","","","","","cis-Bis(N,N-diethyl-2-aminoethanolato)bis(1-phenylbutane...","","CCN(CC)CC[O-].CCN(CC)CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Hf+4]","HQWPUZRSXRLHNZ-UHFFFAOYSA-N","368053",NA,"PDBC56696","638377","Present"
-"cis-Bis(N,3-dionato)titanium(IV)-dihydrate","","","","","","","","","","","","","","","","","","","","cis-Bis(N,N-diethyl-2-aminoethanolatohydrochloride)bis(1...","","CCN(CC)CC[O-].CCN(CC)CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Ti+4]","KETSPZPKHRDELA-UHFFFAOYSA-N","24202297",NA,"PDBC56697","637811","Present"
-"cis-Bis(chinoliniumhydrochloride-4-olato)bis(1-phenylbut...","","","","","","","","","","","","","","","","","","","","cis-Bis(chinoliniumhydrochloride-4-olato)bis(1-phenylbut...","","CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C(=CC=N2)[O-].C1=CC=C2C(=C1)C(=CC=N2)[O-].Cl.[Ti+4]","XWAMZIUXKJBDCL-UHFFFAOYSA-L","11979331",NA,"PDBC56698","638368","Present"
-"cis-Bis-2,2'-bipyridinedithiocyanatoosmium(II)dihydrate","","","","","","","","","","","","","","","","","","","","cis-Bis-2,2'-bipyridinedithiocyanatoosmium(II)dihydrate","","","","",NA,"PDBC56699","632557","Present"
-"cis-Cccnu","","","","","","","","","","","","","","","","","","","","cis-acid///cyclohexanecarboxylic acid, 4-[[[(2-chloroethyl)nitrosoa...","","C1CC(CCC1C(=O)O)NC(=O)N(CCCl)N=O","VGKZBAMIYUHSMU-UHFFFAOYSA-N","93238",NA,"PDBC56700","153174///153175","Present"
-"cis-Chloro(1,2-cyclohexanedicarboxylato(1-),O1)bis-(1-ph...","","","","","","","","","","","","","","","","","","","","cis-Chloro(1,2-cyclohexanedicarboxylato(1-),O1)bis-(1-ph...","","","","",NA,"PDBC56701","637210","Present"
-"cis-Chloro(heptoxy)bis(1-phenylbutane-1,3-dionato)titani...","","","","","","","","","","","","","","","","","","","","cis-Chloro(heptoxy)bis(1-phenylbutane-1,3-dionato)titani...","","","","",NA,"PDBC56702","632881","Present"
-"cis-Chloro[1,3,5-benzoletricarboxylato(1-)-O-]bis(1-phen...","","","","","","","","","","","","","","","","","","","","cis-Chloro[1,3,5-benzoletricarboxylato(1-)-O-]bis(1-phen...","","","","",NA,"PDBC56703","638371","Present"
-"cis-Chlorprothixene hydrochloride","","","","","","","","","","","","","","","","","","","","trans-2-Chloro-9-(3-(dimethylamino)propylidene)thioxanth...///CHLORPROTHIXENE HYDROCHLORIDE","","CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl","YWKRLOSRDGPEJR-FJUODKGNSA-N","5702223",NA,"PDBC56704","56378///758399","Present"
-"cis-Cyclohexane-1,2-(diaminopropanetetrakis-methylphosphonato)-(2-)-N1,N2]platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Cyclohexane-1,2-diamine[1,2-(diaminopropanetetrakis-...","","CC(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].C1CCC(C(C1)N)N.[Pt+2]","DLPHPHMBVHOAFB-GCTAOFAESA-F","24202407",NA,"PDBC56705","647060","Present"
-"cis-Cyclohexane-1,2-diamine-dimorpholinoplatinum(II)-chloride","","","","","","","","","","","","","","","","","","","","cis-Cyclohexane-1,2-diamine-dimorpholinoplatinum(II)- ch...","","C1CCC(C(C1)N)N.C1COCCN1.C1COCCN1.[Cl-].[Pt+2]","KFYPAMGUZVHPBJ-UHFFFAOYSA-M","24202187",NA,"PDBC56706","631897","Present"
-"cis-Cyclohexane-1,2-diamine[nitrilotris(methylphosphonat...","","","","","","","","","","","","","","","","","","","","cis-Cyclohexane-1,2-diamine[nitrilotris(methylphosphonat...","","C1CCC(C(C1)N)N.C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[Pt+2]","MXESVCDEMBGIHK-RUTFAPCESA-H","24202201",NA,"PDBC56707","632612","Present"
-"cis-Diaminedichloroplatinum","","","","","","","","","","","","","","","","","","","","trans-Diaminedichloroplatinum","","[NH2-].[NH2-].Cl[Pt+2]Cl","DQLATGHUWYMOKM-UHFFFAOYSA-L","2767",NA,"PDBC56708","131558","Present"
-"cis-Diammine[3-dimethylamino-1-aminopropane-1,N1]platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Diammine[3-dimethylamino-1-aminopropane-1,1-diphosph...","","CN(C)CCC(N)(P(=O)([O-])[O-])P(=O)([O-])[O-].N.N.[Pt+2]","VMNFDUYMMZHVRS-UHFFFAOYSA-J","24202337",NA,"PDBC56709","639614","Present"
-"cis-Diammine[N,N',N'-tetrakis(phosphonatomethyl)ethylen-diamine(2-)-N1,N2]platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Diammine[N,N,N',N'-tetrakis(phosphonatomethyl)ethyle...","","C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].N.N.[Pt+2]","WEKAIOJVELOHJL-UHFFFAOYSA-F","24202336",NA,"PDBC56710","639594","Present"
-"cis-Diamminebis[(3beta)-cholest-5-en-3-ol-2,2,3-propane-tricarboxylato]platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Diamminebis[(3.beta.)-cholest-5-en-3-ol-2,3-dihydrog...","","CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC(CC(=O)[O-])C(=O)[O-])C)C.N.N.[Pt+4]","DXMZLTNOSDBFAN-ZTVBJNOCSA-L","24202248",NA,"PDBC56711","634048","Present"
-"cis-Diamminedimorpholinoplatinum(II)chloride","","","","","","","","","","","","","","","","","","","","cis-Diamminedimorpholinoplatinum(II)chloride","","C1COCCN1.C1COCCN1.N.N.[Cl-].[Pt+2]","GTUVPULBYNQDRU-UHFFFAOYSA-M","24202186",NA,"PDBC56712","631896","Present"
-"cis-Diamminemalonatoplatinum(II)","","","","","","","","","","","","","","","","","","","","malonatodiammineplatinum(ii)","","C(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]","DQVUZTMWSYWINI-UHFFFAOYSA-N","422683",NA,"PDBC56713","146067","Present"
-"cis-Dibromobis(1,3-diphenylpropane-1,3-dionato)tin(IV)","","","","","","","","","","","","","","","","","","","","cis-Dibromobis(1,3-diphenylpropane-1,3-dionato)tin(IV)","","","","",NA,"PDBC56714","632576","Present"
-"cis-Dibromobis(1-ethylimidazole)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Dibromobis(1-ethylimidazole)platinum(II)","","","","",NA,"PDBC56715","647616","Present"
-"cis-Dibromobis(1-phenyl-1,3-butanedionato)tin(IV)","","","","","","","","","","","","","","","","","","","","cis-Dibromobis(1-phenyl-1,3-butanedionato)tin(IV)","","","","",NA,"PDBC56716","632575","Present"
-"cis-Dibromobis(1-phenyl-1,3-butanedionato)tungsten(IV)","","","","","","","","","","","","","","","","","","","","cis-Dibromobis(1-phenyl-1,3-butanedionato)tungsten(IV)","","","","",NA,"PDBC56717","632585","Present"
-"cis-Dibromobis(1-propylimidazole)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Dibromobis(1-propylimidazole)platinum(II)","","","","",NA,"PDBC56718","647618","Present"
-"cis-Dichloro(pentane-2,4-dioxime-N1,N2)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Dichloro(pentane-2,4-dioxime-N1,N2)platinum(II)","","","","",NA,"PDBC56719","639083","Present"
-"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato) zirconi...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato) zirconi...","","","","",NA,"PDBC56720","635898","Present"
-"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)- molybd...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)- molybd...","","","","",NA,"PDBC56721","634049","Present"
-"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)hafnium(IV)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)hafnium(IV)","","","","",NA,"PDBC56722","635894","Present"
-"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)tin(IV)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)tin(IV)","","","","",NA,"PDBC56723","632574","Present"
-"cis-Dichlorobis(1,4-diphenylbutane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(1,4-diphenylbutane-1,3-dionato)titanium(IV)","","","","",NA,"PDBC56724","636483","Present"
-"cis-Dichlorobis(1-ethylimidazole)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(1-ethylimidazole)platinum(II)","","","","",NA,"PDBC56725","647617","Present"
-"cis-Dichlorobis(1-phenyl-1,3-butanedionato)tungsten(IV)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(1-phenyl-1,3-butanedionato)tungsten(IV)","","","","",NA,"PDBC56726","632584","Present"
-"cis-Dichlorobis(2,2,6,6-tetramethyl-3,5-heptandionato)- ...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(2,2,6,6-tetramethyl-3,5-heptandionato)- ...","","","","",NA,"PDBC56727","632815","Present"
-"cis-Dichlorobis(2,4-pentandionato)osmium(VI)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(2,4-pentandionato)osmium(VI)","","","","",NA,"PDBC56728","632559","Present"
-"cis-Dichlorobis(2,4-pentanedionato)germanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(2,4-pentanedionato)germanium(IV)","","","","",NA,"PDBC56729","632587","Present"
-"cis-Dichlorobis(2,4-pentanedionato)molybdenum(IV)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(2,4-pentanedionato)molybdenum(IV)","","","","",NA,"PDBC56730","632586","Present"
-"cis-Dichlorobis(4-amino-1-benzoic acid)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(4-amino-1-benzoic acid)platinum(II)","","","","",NA,"PDBC56731","632870","Present"
-"cis-Dichlorobis(4-aminobenzolesulfonic acid)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(4-aminobenzolesulfonic acid)platinum(II)","","","","",NA,"PDBC56732","632869","Present"
-"cis-Dichlorobis(4-aminocinnamic acid)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(4-aminocinnamic acid)platinum(II)","","","","",NA,"PDBC56733","632871","Present"
-"cis-Dichlorobis(4-methoxyphenethylamine)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(4-methoxyphenethylamine)platinum(II)","","","","",NA,"PDBC56734","631305","Present"
-"cis-Dichlorobis(5,5-dimethyl-2,4-hexanedionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(5,5-dimethyl-2,4-hexanedionato)titanium(IV)","","","","",NA,"PDBC56735","647058","Present"
-"cis-Dichlorobis(5-amino-2-hydroxybenzoic acid)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis(5-amino-2-hydroxybenzoic acid)platinum(II)","","","","",NA,"PDBC56736","638370","Present"
-"cis-Dichlorobis-(1-propylimidazole)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis-(1-propylimidazole)platinum(II)","","","","",NA,"PDBC56737","647619","Present"
-"cis-Dichlorobis-[1(2-hydroxyphenyl)-3-phenylpropane-1,3-...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis-[1(2-hydroxyphenyl)-3-phenylpropane-1,3-...","","","","",NA,"PDBC56738","637215","Present"
-"cis-Dichlorobis[1,3-di(4-methoxyphenyl)propane-1,3-diona...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1,3-di(4-methoxyphenyl)propane-1,3-diona...","","","","",NA,"PDBC56739","637214","Present"
-"cis-Dichlorobis[1-(2-hydroxyphenyl)-3-phenyl- 1,3-propan...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(2-hydroxyphenyl)-3-phenyl- 1,3-propan...","","","","",NA,"PDBC56740","632802","Present"
-"cis-Dichlorobis[1-(2-thienyl)butane-1,3-dionato]titanium...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(2-thienyl)butane-1,3-dionato]titanium...","","","","",NA,"PDBC56741","636481","Present"
-"cis-Dichlorobis[1-(3-indolyl)butane-1,3-dionato]titanium...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(3-indolyl)butane-1,3-dionato]titanium...","","","","",NA,"PDBC56742","637212","Present"
-"cis-Dichlorobis[1-(3-nitrophenyl)butane-1,3-dionato] tit...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(3-nitrophenyl)butane-1,3-dionato] tit...","","","","",NA,"PDBC56743","636479","Present"
-"cis-Dichlorobis[1-(3-pyridyliumhydrochloride)3-phenylpro...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(3-pyridyliumhydrochloride)3-phenylpro...","","","","",NA,"PDBC56744","637816","Present"
-"cis-Dichlorobis[1-(4-bromophenyl)butane-1,3-dionato] tit...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(4-bromophenyl)butane-1,3-dionato] tit...","","","","",NA,"PDBC56745","636477","Present"
-"cis-Dichlorobis[1-(4-chlorinephenyl)-1,3-butanedionato)]...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(4-chlorinephenyl)-1,3-butanedionato)]...","","","","",NA,"PDBC56746","634050","Present"
-"cis-Dichlorobis[1-(4-chlorinephenyl)-3-phenylpropane-1,3...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(4-chlorinephenyl)-3-phenylpropane-1,3...","","","","",NA,"PDBC56747","637817","Present"
-"cis-Dichlorobis[1-(4-dinitrophenyl)-1,3-butane dionato]t...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(4-dinitrophenyl)-1,3-butane dionato]t...","","","","",NA,"PDBC56748","632577","Present"
-"cis-Dichlorobis[1-(4-methoxyphenyl)-3-phenylpropane-1,3-...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(4-methoxyphenyl)-3-phenylpropane-1,3-...","","","","",NA,"PDBC56749","637207","Present"
-"cis-Dichlorobis[1-(4-nitrophenyl)butane-1,3-dionato] tit...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(4-nitrophenyl)butane-1,3-dionato] tit...","","","","",NA,"PDBC56750","636480","Present"
-"cis-Dichlorobis[1-(phenyl-3,4-dimethoxy)butane-1,3-diona...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[1-(phenyl-3,4-dimethoxy)butane-1,3-diona...","","","","",NA,"PDBC56751","636475","Present"
-"cis-Dichlorobis[2-(3,4-dimethoxyphenyl)ethylamine]platin...","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[2-(3,4-dimethoxyphenyl)ethylamine]platin...","","","","",NA,"PDBC56752","631303","Present"
-"cis-Dichlorobis[3-phenylpentane-2,4-dionato]zirconium(IV)","","","","","","","","","","","","","","","","","","","","cis-Dichlorobis[3-phenylpentane-2,4-dionato]zirconium(IV)","","","","",NA,"PDBC56753","637224","Present"
-"cis-Dichlorodicarbonylbis(triphenylphosphine)ruthenium(II)","","","","","","","","","","","","","","","","","","","","cis-Dichlorodicarbonylbis(triphenylphosphine)ruthenium(II)","","","","",NA,"PDBC56754","632868","Present"
-"cis-Dichlorodicarbonylbispyridinoruthenium(II)","","","","","","","","","","","","","","","","","","","","cis-Dichlorodicarbonylbispyridinoruthenium(II)","","","","",NA,"PDBC56755","631484","Present"
-"cis-Diethanolatobis[1-(3-pyridyl)-3-phenylpropane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Diethanolatobis[1-(3-pyridyl)-3-phenylpropane-1,3- d...","","CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CN=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CN=CC=C2.[Ti+4]","AJNNUUPSLNYYHS-UHFFFAOYSA-N","24202299",NA,"PDBC56756","637815","Present"
-"cis-Diethoxybis[1(3,3-dionato] titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Diethoxybis[1(3,4-dimethoxyphenyl)butane-1,3-dionato...","","CC[O-].CC[O-].CC(=O)[CH-]C(=O)C1=CC(=C(C=C1)OC)OC.CC(=O)[CH-]C(=O)C1=CC(=C(C=C1)OC)OC.[Ti+4]","DHKRKZUXTFOBTD-UHFFFAOYSA-N","368059",NA,"PDBC56757","638384","Present"
-"cis-Difluorobis(1-phenylhexane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Difluorobis(1-phenylhexane-1,3-dionato)titanium(IV)","","","","",NA,"PDBC56758","637220","Present"
-"cis-Difluorobis(1-phenylpentane-1,3-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Difluorobis(1-phenylpentane-1,3-dionato)titanium(IV)","","","","",NA,"PDBC56759","637221","Present"
-"cis-Difluorobis[1-(2-thienyl)butane-1,3-dionato)] titani...","","","","","","","","","","","","","","","","","","","","cis-Difluorobis[1-(2-thienyl)butane-1,3-dionato)] titani...","","","","",NA,"PDBC56760","636478","Present"
-"cis-Difluorobis[1-(3-indolyl)butane-1,3-dionato] titaniu...","","","","","","","","","","","","","","","","","","","","cis-Difluorobis[1-(3-indolyl)butane-1,3-dionato] titaniu...","","","","",NA,"PDBC56761","636482","Present"
-"cis-Difluorobis[1-(3-nitrophenyl)butane-1,3-dionato]tita...","","","","","","","","","","","","","","","","","","","","cis-Difluorobis[1-(3-nitrophenyl)butane-1,3-dionato]tita...","","","","",NA,"PDBC56762","637213","Present"
-"cis-Difluorobis[1-(phenyl-2,4,6-trimethyl)butane-1,3- di...","","","","","","","","","","","","","","","","","","","","cis-Difluorobis[1-(phenyl-2,4,6-trimethyl)butane-1,3- di...","","","","",NA,"PDBC56763","636476","Present"
-"cis-Difluorobis[2,2,6,6-tetramethyl-3,5-heptanedionato) ...","","","","","","","","","","","","","","","","","","","","cis-Difluorobis[2,2,6,6-tetramethyl-3,5-heptanedionato) ...","","","","",NA,"PDBC56764","637216","Present"
-"cis-Difluorobis[3-phenylpentane-2,4-dionato)titanium(IV)","","","","","","","","","","","","","","","","","","","","cis-Difluorobis[3-phenylpentane-2,4-dionato)titanium(IV)","","","","",NA,"PDBC56765","637217","Present"
-"cis-Dihydronarciclasine","","","","","","","","","","","","","","","","","","","","trans-Dihydronarciclasine///cis-Dihydronarciclasine","","C1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O","SBTGHBALOCEVOR-UHFFFAOYSA-N","436050",NA,"PDBC56766","381837///381838","Present"
-"cis-Diiodobis(1-ethylimidazole)platinum(II)","","","","","","","","","","","","","","","","","","","","cis-Diiodobis(1-ethylimidazole)platinum(II)","","","","",NA,"PDBC56767","647615","Present"
-"cis-N-(1'-Phenyl)-3-acetoxy-4-phenanthrenyl-2-azetidinone","","","","","","","","","","","","","","","","","","","","Cis-N-(1'-Phenyl)-3-acetoxy-4-phenanthrenyl-2-azetidinone","","CC(=O)OC1C(N(C1=O)C2=CC=CC=C2)C3=CC4=CC=CC=C4C5=CC=CC=C53","DNJQJRRCCSUMDW-RPWUZVMVSA-N","404331",NA,"PDBC56768","720530","Present"
-"cis-Sodium{cyclohexane-1,2-diamine[N-nitrosoazacyclohept...","","","","","","","","","","","","","","","","","","","","cis-Sodium{cyclohexane-1,2-diamine[N-nitrosoazacyclohept...","","C1CCC(N(CC1)N=O)(P(=O)([O-])[O-])P(=O)([O-])[O-].C1CCC(C(C1)N)N.[Na+].[Pt+2]","XYRGBQHMFRRGFI-UHFFFAOYSA-J","24202338",NA,"PDBC56769","639615","Present"
-"cis-Tetraamine[mu-(N-nitrosoacepane-2,O2,O3,O4]diplatinum(II)","","","","","","","","","","","","","","","","","","","","cis-Tetraamine[.mu.-(N-nitrosoacepane-2,2-diphosphonato(...","","C1CCC(N(CC1)N=O)(P(=O)([O-])[O-])P(=O)([O-])[O-].N.N.N.N.[Pt+4].[Pt+4]","VBNGQINGGIREIZ-UHFFFAOYSA-J","24202408",NA,"PDBC56770","647061","Present"
-"cis-Tetramminedichloroosmium(III)-chloride-hydrate","","","","","","","","","","","","","","","","","","","","cis-Tetramminedichloroosmium(III)-chloride-hydrate","","","","",NA,"PDBC56771","632555","Present"
-"cis-Tetramminedinitrogenosmium(II)chloride","","","","","","","","","","","","","","","","","","","","cis-Tetramminedinitrogenosmium(II)chloride","","N.N.N.N.N#N.N#N.[Cl-].[Os+6]","KALROBSXWGDDCC-UHFFFAOYSA-M","24202193",NA,"PDBC56772","632565","Present"
-"cis-Triamminetrichlorocobalt(III)","","","","","","","","","","","","","","","","","","","","cis-Triamminetrichlorocobalt(III)","","","","",NA,"PDBC56773","630643","Present"
-"cis-Trikentrin A","","","","","","","","","","","","","","","","","","","","cis-Trikentrin A","","CCC1=CC2=C(C(CC2C)C)C3=C1C=CN3","MALBSYUZNPGJPQ-ZJUUUORDSA-N","362023",NA,"PDBC56774","625523","Present"
-"cis-[Diammino(methylaminomethanediphosphonato)-platinum(II)]","","","","","","","","","","","","","","","","","","","","cis-[Diammino(methylaminomethanediphosphonato)- platinum...","","CNC(P(=O)([O-])[O-])P(=O)([O-])[O-].N.N.[Pt+2]","KRFRUWOOZJWJMO-UHFFFAOYSA-J","24202188",NA,"PDBC56775","631898","Present"
-"cis-alpha-((2,3-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol","","","","","","","","","","","","","","","","","","","","1-[(2R,3S)-2,3-dimethylaziridin-1-yl]-3-(2-nitro-1H-imid...","","CC1C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)C","VKUQQJFQNDTATQ-XOIHQXTHSA-N","149673",NA,"PDBC56776","600667","Present"
-"cis-{2-[4-Tert-Butyl-1-(2,4-dichloro-benzyl)-cyclohexyloxy]-ethyl}-dimethyl-amine hydrochloride","","","","","","","","","","","","","","","","","","","","2-((1-(2,4-Dichlorophenylmethyl)4-tert.butylcyclohexyl)o...","","CC(C)(C)C1CCC(CC1)(CC2=C(C=C(C=C2)Cl)Cl)OCCN(C)C.Cl","FSIBYCVOFLVKGN-UHFFFAOYSA-N","382583",NA,"PDBC56777","670224","Present"
-"colchicine, n-carbethoxy-deacetyl","","","","","","","","","","","","","","","","","","","","colchicine, n-carbethoxy-deacetyl","","CCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","NLHICQCHEWUHCR-UHFFFAOYSA-N","55498",NA,"PDBC56778","355637","Present"
-"colchicoside","","","","","","","","","","","","","","","","","","","","colchicoside","","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O","UXAFRQPVHYZDED-UHFFFAOYSA-N","233866",NA,"PDBC56779","32992","Present"
-"compound with trifluoro-acetic acid","","","","","","","","","","","","","","","","","","","","compound with trifluoro-acetic acid","","C(CNC(=O)C(F)(F)F)NCCNC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O","WUEPMEXUMQVEGN-UHFFFAOYSA-N","388777",NA,"PDBC56780","683853","Present"
-"copper-7-glucose-3-taxol","","","","","","","","","","","","","","","","","","","","copper-7-glucose-3-taxol","","","","",NA,"PDBC56781","794521","Present"
-"copper-elesclomol","","","","","","","","","","","","","","","","","","","","copper-elesclomol","","CN(C(=S)C1=CC=CC=C1)[N-]C(=O)CC(=O)[N-]N(C)C(=S)C2=CC=CC=C2.[Cu+2]","UUSCWIGUMPDFDE-UHFFFAOYSA-L","155813013",NA,"PDBC56782","766922","Present"
-"corpormon","","","","","","","","","","","","","","","","","","","","corpormon","","","","",NA,"PDBC56783","64948","Present"
-"cps11","","","","","","","","","","","","","","","","","","","","cps11","","C1CC(=O)N(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CO","LZHQPJSJEITGHB-UHFFFAOYSA-N","9900574",NA,"PDBC56784","726793","Present"
-"cps42","","","","","","","","","","","","","","","","","","","","cps42","","CC1=C2C(=C(C=C1)C)C(=O)N(C2=O)C3=C(C=C(C=C3)F)F","GGHDSBMLSIVVPC-UHFFFAOYSA-N","9900551",NA,"PDBC56785","726794","Present"
-"cps49","","","","","","","","","","","","","","","","","","","","cps49","","C1=CC(=C(C=C1F)F)N2C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F","YSJCNZQEYLMVPJ-UHFFFAOYSA-N","9905583",NA,"PDBC56786","726796","Present"
-"crude pyronine b","","","","","","","","","","","","","","","","","","","","crude pyronine b","","","","",NA,"PDBC56787","3093","Present"
-"cs-1730","","","","","","","","","","","","","","","","","","","","cs-1730","","CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)Cl","FAWSUKOIROHXAP-NPMXOYFQSA-N","52912222",NA,"PDBC56788","782763","Present"
-"cupric diethyldithiocarbamate","","","","","","","","","","","","","","","","","","","","cupric diethyldithiocarbamate","","","","",NA,"PDBC56789","177697","Present"
-"cyclophenazine (usan)","","","","","","","","","","","","","","","","","","","","cyclophenazine (usan)","","C1CC1N2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F.Cl","NZPUUDYQEPIDRF-UHFFFAOYSA-N","54600344",NA,"PDBC56790","161436","Present"
-"cyclopropane vinblastine","","","","","","","","","","","","","","","","","","","","cyclopropane vinblastine","","CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O","NCGOMPSMYUGVQC-WSGDVLFSSA-N","155812978",NA,"PDBC56791","761582","Present"
-"cyclopropane vincristine sulfate","","","","","","","","","","","","","","","","","","","","cyclopropane vincristine sulfate","","CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O","AHLMURYDGXTCCV-AOZNSOTRSA-N","155806762",NA,"PDBC56792","762781","Present"
-"cyclopropane vinorelbine sulfate","","","","","","","","","","","","","","","","","","","","cyclopropane vinorelbine sulfate","","CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC","NXMZRTZSMAMOFH-XRFSQDKESA-N","86288942",NA,"PDBC56793","766905","Present"
-"d 69","","","","","","","","","","","","","","","","","","","","d 69","","CC1(N=C(N=C(N1C2=CC(=CC=C2)Cl)N)N)C.Cl","XHCUHVHWTQIMSO-UHFFFAOYSA-N","16236702",NA,"PDBC56794","3080","Present"
-"d-Sesamin","","","","","","","","","","","","","","","","","","","","d-Sesamin","","C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6","PEYUIKBAABKQKQ-UHFFFAOYSA-N","5204",NA,"PDBC56795","640330","Present"
-"d-Tubocurarine, dichloride","","","","","","","","","","","","","","","","","","","","tubocurare","","C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC)C.[Cl-]","RQJFMVLTCXOMFD-XCCPJCIBSA-O","5351750",NA,"PDBC56796","36387","Present"
-"dabequine","","","","","","","","","","","","","","","","","","","","dabequine","","CCN(CC)CCCC(C)NC1=CC=NC2=CC3=CC=CC=C3C=C12","OUAJLVIMXOMBTL-UHFFFAOYSA-N","405448",NA,"PDBC56797","722779","Present"
-"dat1","","","","","","","","","","","","","","","","","","","","dat1","","COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CC=C3)N","IVBPIRYPDAOPPJ-UHFFFAOYSA-N","398017",NA,"PDBC56798","707090","Present"
-"deoxyhydroxyaspergillic acid","","","","","","","","","","","","","","","","","","","","deoxyhydroxyaspergillic acid","","","","",NA,"PDBC56799","127443","Present"
-"desmethyleleutherobin","","","","","","","","","","","","","","","","","","","","desmethyleleutherobin","","CC1=CCC(C2C1CC(C3(C=CC(O3)(C(=C2)COC4C(C(C(CO4)O)O)OC(=O)C)O)C)OC(=O)C=CC5=CN(C=N5)C)C(C)C","WRPLJTYNAMMOEE-MIVNFNTKSA-N","54613300",NA,"PDBC56800","751281","Present"
-"diacetyl[?]one","","","","","","","","","","","","","","","","","","","","diacetyl[?]one","","CC(=O)C1C2C3CC(C2C(C1=O)C(=O)C)C=C3","YHMPNGRXPJYGHK-UHFFFAOYSA-N","384582",NA,"PDBC56801","674595","Present"
-"dianilino(imino)[?]one","","","","","","","","","","","","","","","","","","","","dianilino(imino)[?]one","","C1=CC=C(C=C1)NC2=NC3=C(S2)N4C(=C5C(=NC4=O)SC(=N5)NC6=CC=CC=C6)N=C3N","WNBZMIKECRELRE-UHFFFAOYSA-N","375683",NA,"PDBC56802","655526","Present"
-"dianilino(imino)[?]thione","","","","","","","","","","","","","","","","","","","","dianilino(imino)[?]thione","","C1=CC=C(C=C1)NC2=NC3=C(S2)N4C(=C5C(=NC4=S)SC(=N5)NC6=CC=CC=C6)N=C3N","ATMIIBWMPPQCBP-UHFFFAOYSA-N","3004448",NA,"PDBC56803","655527","Present"
-"diaporthein B","","","","","","","","","","","","","","","","","","","","diaporthein B","","CC1(CCCC23C1(C(C(=O)C4=CC(CC(C42O)O)(C)C=C)(OC3)O)O)C","FVYIOIBMUVNZMQ-JBHGINGMSA-N","54612739",NA,"PDBC56804","751295","Present"
-"dibenzyloxy[?]","","","","","","","","","","","","","","","","","","","","dibenzyloxy[?]","","C1C2C3C(C(C1(OCC4=CC=CC=C4)OCC5=CC=CC=C5)O2)NN=N3","USZKXDLHMKNUDS-UHFFFAOYSA-N","368613",NA,"PDBC56805","639721","Present"
-"dibromo(diphenyl)[?]tetrone","","","","","","","","","","","","","","","","","","","","dibromo(diphenyl)[?]tetrone","","C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5C(C3(C6=CC=CC=C64)Br)C(=O)N(C5=O)C7=CC=CC=C7)Br","JWPNWDRMHVOXKA-UHFFFAOYSA-N","363088",NA,"PDBC56806","627654","Present"
-"dibromo[?]diol","","","","","","","","","","","","","","","","","","","","dibromo[?]diol","","C1CC2=CC(=CC(=C2O)CCC3=C(C1=CC(=C3)Br)O)Br","YMAXHDXZPZXROO-UHFFFAOYSA-N","380163",NA,"PDBC56807","665601","Present"
-"dichloro(phenyl)[?]dione","","","","","","","","","","","","","","","","","","","","dichloro(phenyl)[?]dione","","C1C2C=CC(C3C1C3(Cl)Cl)N4N2C(=O)N(C4=O)C5=CC=CC=C5","GSRVKLGURKHDPG-UHFFFAOYSA-N","364367",NA,"PDBC56808","630426","Present"
-"dichloro-bis(4-fluorophenyl)[?]","","","","","","","","","","","","","","","","","","","","dichloro-bis(4-fluorophenyl)[?]","","","","",NA,"PDBC56809","608462","Present"
-"difluoro[?]tetrone","","","","","","","","","","","","","","","","","","","","difluoro[?]tetrone","","C1CCCN2C=C(C(=O)N(C2=O)CCCCCCCN3C(=O)C(=CN(C3=O)CCC1)F)F","SRRSHKJVEYSPPG-UHFFFAOYSA-N","382107",NA,"PDBC56810","669471","Present"
-"dimethyl[?]tetrol","","","","","","","","","","","","","","","","","","","","dimethyl[?]tetrol","","CC12CCC(C3=CC(=C(C=C31)O)O)(C4=CC(=C(C=C24)O)O)C","UXNBAVAJAVJLSQ-UHFFFAOYSA-N","361631",NA,"PDBC56811","624848","Present"
-"dimethyl[?]trione","","","","","","","","","","","","","","","","","","","","dimethyl[?]trione","","CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C4=C(N=CC=C4)SC3=N2","UWMDPWAAWFXFPH-UHFFFAOYSA-N","391070",NA,"PDBC56812","689604","Present"
-"dimethylfasudil","","","","","","","","","","","","","","","","","","","","dimethylfasudil","","CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C","AWDORCFLUJZUQS-ZDUSSCGKSA-N","448043",NA,"PDBC56813","780205","Present"
-"dioxo(pent-4-enyl)[?]carbaldehyde","","","","","","","","","","","","","","","","","","","","dioxo(pent-4-enyl)[?]carbaldehyde","","C=CCCCN1C(=O)C2C3C4=CC=CC=C4C(C2C1=O)(C5=CC=CC=C35)C=O","RJLQTAAAKHJZCK-UHFFFAOYSA-N","382479",NA,"PDBC56814","670085","Present"
-"dioxo[?]carbonitrile","","","","","","","","","","","","","","","","","","","","dioxo[?]carbonitrile","","C1=CC=C2C(=C1)C3C(C(=O)SC3C4=CC=CC=C4C2=O)C#N","IFEOEMPZFQACHC-UHFFFAOYSA-N","379261",NA,"PDBC56815","663706","Present"
-"dioxo[?]dicarbonitrile","","","","","","","","","","","","","","","","","","","","dioxo[?]dicarbonitrile","","C1CC2C=CC1C3(C2(C(=O)NC3=O)C#N)C#N","FAGSLJFCHIOLDZ-UHFFFAOYSA-N","379431",NA,"PDBC56816","663976","Present"
-"dioxo[?]dione","","","","","","","","","","","","","","","","","","","","dioxo[?]dione","","C1=CC2=CC=C1N=CNNC(=O)C(=O)NNC=NC3=CC=C(S2(=O)=O)C=C3","IQTHDAXRWGVSQR-UHFFFAOYSA-N","245242",NA,"PDBC56817","56962","Present"
-"diphenyl tin benzyl prodigiosene ester","","","","","","","","","","","","","","","","","","","","diphenyl tin benzyl prodigiosene ester","","","","",NA,"PDBC56818","756779","Present"
-"diphenyl[?]one","","","","","","","","","","","","","","","","","","","","diphenyl[?]one","","C1C2=CC(=CC=C2)CSCC3=C(C(=O)C(=C(O3)CS1)C4=CC=CC=C4)C5=CC=CC=C5","QLGYOULSFXHXRT-UHFFFAOYSA-N","373097",NA,"PDBC56819","649028","Present"
-"diphenyl[?]trione","","","","","","","","","","","","","","","","","","","","diphenyl[?]trione","","C1=CC=C(C=C1)C23C4C(C(=O)N(C4=O)C5=CC=CC=C5)ON2C6=CC=CC=C6C3=O","MFGKNCXXMLCDSY-UHFFFAOYSA-N","374515",NA,"PDBC56820","652266","Present"
-"dispiro[[?]]one","","","","","","","","","","","","","","","","","","","","dispiro[[?]]one","","C1CC2(CCC13CC4=CC=CC=C4C3=O)OCCO2","KRJFUOGWTPGNEP-UHFFFAOYSA-N","380762",NA,"PDBC56821","666470","Present"
-"ditert-butyl[?]tetrone","","","","","","","","","","","","","","","","","","","","ditert-butyl[?]tetrone","","CC(C)(C)N1C(=O)N2C3C4C5=CC=CC6=C5C(=CC=C6)C(C(N2C1=O)C7=CC=CC8=C7C3=CC=C8)N9N4C(=O)N(C9=O)C(C)(C)C","NNAFTMGXAFBRTC-UHFFFAOYSA-N","391901",NA,"PDBC56822","691582","Present"
-"dpc046","","","","","","","","","","","","","","","","","","","","dpc046","","COC1=CC=C(C=C1)C2=CN=C(O2)C3=C(C=NC=C3)C4=CC(=CC=C4)OC","CTNUOHRUVZXVHX-UHFFFAOYSA-N","25235411",NA,"PDBC56823","756784","Present"
-"e-rhodomycinone","","","","","","","","","","","","","","","","","","","","e-rhodomycinone","","CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O)O","PYFOXRACBORDCT-UHFFFAOYSA-N","426672",NA,"PDBC56824","196524","Present"
-"elisabatin A","","","","","","","","","","","","","","","","","","","","elisabatin A","","CC1CC(C2=C(C(=O)C(=O)C3=C2C1=C(C=C3C)O)C)C=C(C)C","JVQJPMIBFYBOEO-GXFFZTMASA-N","397069",NA,"PDBC56825","704379","Present"
-"emetinetriiodobismuth(iii)","","","","","","","","","","","","","","","","","","","","emetinetriiodobismuth(iii)","","","","",NA,"PDBC56826","44185","Present"
-"enantiomer of PF-4176340","","","","","","","","","","","","","","","","","","","","enantiomer of PF-4176340","","CCC1=CNC2=C1C(=NC=N2)N3CCC(C3)(CNC(=O)C4=C(C=C(C=C4)F)F)N","MOZRQQTUYAYCQT-FQEVSTJZSA-N","25061501",NA,"PDBC56827","768070","Present"
-"epicalyxin F","","","","","","","","","","","","","","","","","","","","epicalyxin F","","COC1=C(C(=C(C(=C1)O)C2CC(OC(C2)C3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)C(=O)C=CC5=CC=C(C=C5)O","LPRJKEYEZOKENY-VKTVXKIRSA-N","11635614",NA,"PDBC56828","740601","Present"
-"et 12h","","","","","","","","","","","","","","","","","","","","et 12h","","CCCCCCCCCCCCOCCCOP(=O)([O-])OCC[N+](C)(C)C","PMGDJIDELZDRLM-UHFFFAOYSA-N","209827",NA,"PDBC56829","337591","Present"
-"ethanol, 2-[bis(1,1-dimethylpropyl)phenoxy]-, acetate","","","","","","","","","","","","","","","","","","","","ethanol, 2-[bis(1,1-dimethylpropyl)phenoxy]-, acetate","","","","",NA,"PDBC56830","3924","Present"
-"ethoxy(dimethoxy)[?]one","","","","","","","","","","","","","","","","","","","","ethoxy(dimethoxy)[?]one","","CCOC1=C(C2=C3C(=C1)C(=O)OC4=C(C=CC(=C34)C=C2)OC)OC","LFEYOTRCBIPGDM-UHFFFAOYSA-N","356188",NA,"PDBC56831","611271","Present"
-"ethoxy[?]dione","","","","","","","","","","","","","","","","","","","","ethoxy[?]dione","","CCOC12C(CC3=C(O1)CCC3=O)CC4=C(O2)CCC4=O","HVTYXBVPZLPDKJ-UHFFFAOYSA-N","360973",NA,"PDBC56832","623704","Present"
-"ethyl 2-(4-oxochroman-5-yl)oxyacetate","","","","","","","","","","","","","","","","","","","","ethyl 2-(4-oxochroman-5-yl)oxyacetate","","CCOC(=O)COC1=CC=CC2=C1C(=O)CCO2","MYDSVSVEMKIZGA-UHFFFAOYSA-N","361668",NA,"PDBC56833","624886","Present"
-"ethyl 2-acetamido-2-dipentoxyphosphoryl-3,3,3-trifluoro-propanoate","","","","","","","","","","","","","","","","","","","","ethyl 2-acetamido-2-dipentoxyphosphoryl-3,3,3-trifluoro-propanoate","","CCCCCOP(=O)(C(C(=O)OCC)(C(F)(F)F)NC(=O)C)OCCCCC","WLJQWIOWMXAGCC-UHFFFAOYSA-N","383645",NA,"PDBC56834","672063","Present"
-"ethyl heptamethyl[?]carboxylate","","","","","","","","","","","","","","","","","","","","ethyl heptamethyl[?]carboxylate","","CCOC(=O)C1(C2=CC=C(O2)C(C3=CC=C(O3)C(C4=CC=C(O4)C(C5=CC=C1O5)(C)C)(C)C)(C)C)C","ZEXQMECTBYFPEY-UHFFFAOYSA-N","361834",NA,"PDBC56835","625150","Present"
-"ethylsulfanyl[?]one","","","","","","","","","","","","","","","","","","","","ethylsulfanyl[?]one","","CCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","HGZPBFITQPYTPF-UHFFFAOYSA-N","391210",NA,"PDBC56836","690043","Present"
-"fac-Triamminetriiodatocobalt(III)","","","","","","","","","","","","","","","","","","","","fac-Triamminetriiodatocobalt(III)","","","","",NA,"PDBC56837","630635","Present"
-"fenakrom blue xr","","","","","","","","","","","","","","","","","","","","fenakrom blue xr","","CC1=CC(=CC(=C1O)C(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)C(=O)O.[Na+]","HJEGHSWGWSAZBS-UHFFFAOYSA-N","5351961",NA,"PDBC56838","112257","Present"
-"fiau","","","","","","","","","","","","","","","","","","","","fiau","","C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)F)I","IPVFGAYTKQKGBM-UHFFFAOYSA-N","386483",NA,"PDBC56839","678514","Present"
-"fluopsin c","","","","","","","","","","","","","","","","","","","","fluopsin c","","","","",NA,"PDBC56840","178262","Present"
-"fluoro(phenyl)[?]","","","","","","","","","","","","","","","","","","","","fluoro(phenyl)[?]","","C1=CC=C(C=C1)N2C3=C4C(OC5=CC=CC=C53)SC6=C(C4=N2)C=CC(=C6)F","BQLGPNXCFOSHFQ-UHFFFAOYSA-N","371910",NA,"PDBC56841","646494","Present"
-"fluorophenothiazine dihydrochloride","","","","","","","","","","","","","","","","","","","","fluorophenothiazine dihydrochloride","","C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOCCO.Cl","JESCMLGRQMHNDA-UHFFFAOYSA-N","24186696",NA,"PDBC56842","53638","Present"
-"from combretum caffrum plant","","","","","","","","","","","","","","","","","","","","from combretum caffrum plant","","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)O","HVXBOLULGPECHP-AATRIKPKSA-N","5386397",NA,"PDBC56843","609397","Present"
-"g-tpp","","","","","","","","","","","","","","","","","","","","g-tpp","","","","",NA,"PDBC56844","749923","Present"
-"gamma-(n1-thyminyl)-alpha-aminobutyric acid","","","","","","","","","","","","","","","","","","","","gamma-(n1-thyminyl)-alpha-aminobutyric acid","","CC1=CN(C(=O)NC1=O)CCC(C(=O)O)N","VHFGLMOVRSTCJM-UHFFFAOYSA-N","289646",NA,"PDBC56845","151831","Present"
-"gamma-Glutamyl-alpha-amino-beta-[[2-ethyl(5-fluoro-2'deoxyur idyl) N-methyl-N-(4-chlorobutyl)phosphoramidoyl]sulfonyl] propionyl-(R)-(-)-phenylglycine","","","","","","","","","","","","","","","","","","","","gamma-glutamyl-alpha-amino-beta-[[2-ethyl(5-fluoro-2'deo...","","CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)O","PHUKCJQFMFKXBU-UHFFFAOYSA-N","24205019",NA,"PDBC56846","733981","Present"
-"gamma-Hydroxy Ferruginin A","","","","","","","","","","","","","","","","","","","","ferruginin a, trans-gamma","","CC1=CC2=CC3=C(C(=CC(=O)C3(CC=C(C)C)CC=C(C)CO)O)C(=C2C(=C1CC=C(C)C)O)O","DCJDOWWEQCIZCX-VXLYETTFSA-N","5458885",NA,"PDBC56847","372452","Present"
-"gamma-L-Glutaminyl-4-hydroxybenzene","","","","","","","","","","","","","","","","","","","","gamma-Ghb","","C1=CC(=CC=C1NC(=O)CCC(C(=O)O)N)O","LOTUEIYQWILGCV-UHFFFAOYSA-N","100138",NA,"PDBC56848","339149","Present"
-"gamma-Thujaplicin","","","","","","","","","","","","","","","","","","","","thujaplicin, alpha","","CC(C)C1=CC=C(C(=O)C=C1)O","WKEWHSLZDDZONF-UHFFFAOYSA-N","12649",NA,"PDBC56849","18805","Present"
-"geldanamicin","","","","","","","","","","","","","","","","","","","","geldanamicin","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC","QTQAWLPCGQOSGP-VKNBREQOSA-N","5281885",NA,"PDBC56850","122750","Present"
-"geldanamycin deriv","","","","","","","","","","","","","","","","","","","","geldanamycin deriv","","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCl)C)OC)OC(=O)N)C)C)O)OC","NDSRHDSAGOYHHW-BLHFTZLPSA-N","24199293",NA,"PDBC56851","320877","Present"
-"ghl.PD_Mitscher_leg0.1044","","","","","","","","","","","","","","","","","","","","ghl.PD_Mitscher_leg0.1044","","CC1=C(C(=O)C2C3C(C1C2=O)CC4=CC=CC=C34)O","VIMRSCGIHINOOI-UHFFFAOYSA-N","373544",NA,"PDBC56852","649997","Present"
-"ghl.PD_Mitscher_leg0.1105","","","","","","","","","","","","","","","","","","","","ghl.PD_Mitscher_leg0.1105","","CC1C2C=C(C(=O)C(C1C3=CC=CC=C3)C2=O)O","DVPJMMIMWMZLBX-UHFFFAOYSA-N","373541",NA,"PDBC56853","649994","Present"
-"ghl.PD_Mitscher_leg0.1228","","","","","","","","","","","","","","","","","","","","ghl.PD_Mitscher_leg0.1228","","CC1C(C2C(=O)C1C(=C(C2=O)O)C)C3=CC=C(C=C3)C","ZPRAECBDNHVVFC-UHFFFAOYSA-N","373540",NA,"PDBC56854","649993","Present"
-"ghl.PD_Mitscher_leg0.139","","","","","","","","","","","","","","","","","","","","ghl.PD_Mitscher_leg0.139","","CC1C(C2C(=O)C1C(=C(C2=O)O)C)C3=CC=C(C=C3)Cl","FBEICSBDGJGKIP-UHFFFAOYSA-N","373543",NA,"PDBC56855","649996","Present"
-"ghl.PD_Mitscher_leg0.158","","","","","","","","","","","","","","","","","","","","ghl.PD_Mitscher_leg0.158","","COC12CCC(C=C1)C3=C(C=CC(=C23)O)O","XYSICFSWILOHCC-UHFFFAOYSA-N","358349",NA,"PDBC56856","618314","Present"
-"ghl.PD_Mitscher_leg0.511","","","","","","","","","","","","","","","","","","","","ghl.PD_Mitscher_leg0.511","","CC1C(C2C(=O)C1C(=C(C2=O)O)C)C3=CC=CC=C3","WLSYARRHXDDHHS-UHFFFAOYSA-N","373542",NA,"PDBC56857","649995","Present"
-"ghl.PD_Mitscher_leg0.848","","","","","","","","","","","","","","","","","","","","ghl.PD_Mitscher_leg0.848","","COC1=C(C=C2C3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)N(C2=C1)S(=O)(=O)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6","GFVVAMSDYGEJGM-UHFFFAOYSA-N","396843",NA,"PDBC56858","703867","Present"
-"glipr1-.delta.tm","","","","","","","","","","","","","","","","","","","","glipr1-.delta.tm","","","","",NA,"PDBC56859","748120","Present"
-"glucotunuifoline","","","","","","","","","","","","","","","","","","","","glucotunuifoline","","","","",NA,"PDBC56860","252626","Present"
-"gsk 126 intermediate","","","","","","","","","","","","","","","","","","","","gsk 126 intermediate","","CCC(C)N1C=C(C2=C(C=C(C=C21)Br)C(=O)NCC3=C(C=C(NC3=O)C)C)C","CWZRACDIDASDPP-UHFFFAOYSA-N","67465227",NA,"PDBC56861","774832","Present"
-"guanosine, 6-thio-, platinum complex (9ci)","","","","","","","","","","","","","","","","","","","","guanosine, 6-thio-, platinum complex (9ci)","","","","",NA,"PDBC56862","248436","Present"
-"h8631","","","","","","","","","","","","","","","","","","","","h8631","","C1C(C(OC1N2C=C(C(=O)NC2=O)CO)CO)O","IPAVKOYJGUMINP-UHFFFAOYSA-N","5201346",NA,"PDBC56863","749425","Present"
-"hellebrin","","","","","","","","","","","","","","","","","","","","hellebrin","","CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O","DCSLTSSPIJWEJN-UHFFFAOYSA-N","417553",NA,"PDBC56864","93134","Present"
-"hemolysin bl proteins","","","","","","","","","","","","","","","","","","","","hemolysin bl proteins","","","","",NA,"PDBC56865","775664","Present"
-"heptamethyl[?]","","","","","","","","","","","","","","","","","","","","heptamethyl[?]","","CC1C2=CC=C(O2)C(C3=CC=C(O3)C(C4=CC=C(O4)C(C5=CC=C1O5)(C)C)(C)C)(C)C","IGOJUFJYIDZRGZ-UHFFFAOYSA-N","361835",NA,"PDBC56866","625151","Present"
-"heteromine A","","","","","","","","","","","","","","","","","","","","heteromine A","","CN1C=[N+](C2=C1C(=NC(=N2)N(C)C)OC)C.[Cl-]","SNKXVKLOCWIXQD-UHFFFAOYSA-M","391982",NA,"PDBC56867","691767","Present"
-"hexabenzyl[?]","","","","","","","","","","","","","","","","","","","","hexabenzyl[?]","","C1=CC=C(C=C1)CN2C3C4N(C5C(N4CC6=CC=CC=C6)N(C(C2N5CC7=CC=CC=C7)N3CC8=CC=CC=C8)CC9=CC=CC=C9)CC1=CC=CC=C1","IUKZSMGVHPBEHK-UHFFFAOYSA-N","389847",NA,"PDBC56868","686479","Present"
-"hexachloro(tetrafluoro)[?]","","","","","","","","","","","","","","","","","","","","hexachloro(tetrafluoro)[?]","","C12C(C3(C(=C(C1(C3(Cl)Cl)Cl)Cl)Cl)Cl)SC(C2(F)F)(F)F","IOTWKLDMBZIDBV-UHFFFAOYSA-N","379844",NA,"PDBC56869","664976","Present"
-"hexaoctyl[?]hexol","","","","","","","","","","","","","","","","","","","","hexaoctyl[?]hexol","","CCCCCCCCC1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)CCCCCCCC)CC7=C(C(=CC(=C7)CCCCCCCC)C2)O)O)CCCCCCCC)CCCCCCCC)CCCCCCCC)O","KRIRWWRJLUIGIQ-UHFFFAOYSA-N","363972",NA,"PDBC56870","629592","Present"
-"hydroxy(diphenyl)[?]tetrone","","","","","","","","","","","","","","","","","","","","hydroxy(diphenyl)[?]tetrone","","C1=CC=C(C=C1)C2=C(C3(C4C(C2C5C3C(=O)OC5=O)C(=O)OC4=O)O)C6=CC=CC=C6","GWQMHYUJTIVKRW-UHFFFAOYSA-N","366051",NA,"PDBC56871","634225","Present"
-"hydroxy(pentakis-phenyl)[?]one","","","","","","","","","","","","","","","","","","","","hydroxy(pentakis-phenyl)[?]one","","C1=CC=C(C=C1)C2=C(C(=O)C3=C2C4=CC=CC=C4C5(C3=C(C(=C5C6=CC=CC=C6)C7=CC=CC=C7)O)C8=CC=CC=C8)C9=CC=CC=C9","MBZFNPWBFITZRY-UHFFFAOYSA-N","361738",NA,"PDBC56872","624980","Present"
-"hydroxy(phenyl)[?]trione","","","","","","","","","","","","","","","","","","","","hydroxy(phenyl)[?]trione","","C1C2C(C3C(C2(C4=CC=CC=C4NC1=O)O)C(=O)NC5=CC=CC=C5C3=O)C6=CC=CC=C6","BZVXSMHETRHAGD-MUPGJOOLSA-N","376188",NA,"PDBC56873","656722","Present"
-"hydroxy-diisopropoxy-phenyl-[?]one","","","","","","","","","","","","","","","","","","","","hydroxy-diisopropoxy-phenyl-[?]one","","CC(C)OC1=C(C2=C3C(=C1OC(C)C)OC(=O)N3C=CC2C4=CC=CC=C4)O","GFOCPBWEOLOEMR-UHFFFAOYSA-N","389257",NA,"PDBC56874","685010","Present"
-"hydroxy-imino-diphenyl-[?]one","","","","","","","","","","","","","","","","","","","","hydroxy-imino-diphenyl-[?]one","","C1=CC=C(C=C1)N2C(=O)C34C(=N2)C5=C(C3(N(N=C4N)C6=CC=CC=C6)O)C=CN=C5","JNEVSWXHWISUIN-UHFFFAOYSA-N","389461",NA,"PDBC56875","685672","Present"
-"hyperbrasilol C","","","","","","","","","","","","","","","","","","","","hyperbrasilol C","","CC1=C(C(C(=O)C(=C1O)CC2=C(C(=C(C(=C2O)CC=C(C)C)O)C(=O)C(C)C)O)(CC=C(C)C)C(=O)C(C)C)O","PPIGATIIRZNIGE-UHFFFAOYSA-N","391023",NA,"PDBC56876","689443","Present"
-"illudin m linked to """"fleximer""""","","","","","","","","","","","","","","","","","","","","NSC742017///NSC742018","","","","",NA,"PDBC56877","742017///742018","Present"
-"imino-morpholino-phenyl-[?]one","","","","","","","","","","","","","","","","","","","","imino-morpholino-phenyl-[?]one","","C1CC2C3(C1)C2(C(=N)N(C3=O)C4=CC=CC=C4)N5CCOCC5","DZCNKGIVGMQFQD-UHFFFAOYSA-N","366369",NA,"PDBC56878","634745","Present"
-"insulin-methotrexate conjugate","","","","","","","","","","","","","","","","","","","","insulin-methotrexate conjugate","","","","",NA,"PDBC56879","648365","Present"
-"intoplicine","","","","","","","","","","","","","","","","","","","","intoplicine","","CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)O)NCCCN(C)C.CS(=O)(=O)O","POUVZUSSHJDTLE-UHFFFAOYSA-N","371069",NA,"PDBC56880","645008","Present"
-"invirase","","","","","","","","","","","","","","","","","","","","invirase","","CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O","IRHXGOXEBNJUSN-KQBSJITFSA-N","405421",NA,"PDBC56881","722663","Present"
-"ipomoeassin F","","","","","","","","","","","","","","","","","","","","ipomoeassin F","","CCCCCC1CCCCCCC(=O)CCC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3O1)C)OC(=O)C)O)O)OC(=O)C(=CC)C)OC(=O)C=CC4=CC=CC=C4","MNCQJKBLIYSVOV-AXYDXROSSA-N","155811679",NA,"PDBC56882","791000","Present"
-"isatin thiosemicarbazone","","","","","","","","","","","","","","","","","","","","isatin thiosemicarbazone","","C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)N","PEYNLAQGUNUQLY-UHFFFAOYSA-N","690109",NA,"PDBC56883","721","Present"
-"isonicotinonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-","","","","","","","","","","","","","","","","","","","","isonicotinonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-","","CS(=O)(=O)C1=NC(=C(C(=C1Cl)C#N)Cl)Cl","NWTXKBMAZQDKMI-UHFFFAOYSA-N","97694",NA,"PDBC56884","144872","Present"
-"kaurane deriv","","","","","","","","","","","","","","","","","","","","kaurane deriv","","CC(=O)OC1CC2C(C3(C1C45CCCC(C4CC3O)(COC5O)C)C(=O)C2=C)O","NQZSVTDLNDFMMM-UHFFFAOYSA-N","430839",NA,"PDBC56885","282159","Present"
-"kundrymycin","","","","","","","","","","","","","","","","","","","","kundrymycin","","","","",NA,"PDBC56886","114573","Present"
-"l-Arctigenin","","","","","","","","","","","","","","","","","","","","l-Arctigenin","","COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC","NQWVSMVXKMHKTF-UHFFFAOYSA-N","230232",NA,"PDBC56887","24871","Present"
-"lakh","","","","","","","","","","","","","","","","","","","","lakh","","CCC1=C(C(=C2C(=C1O)C(=O)C3=CC(=C(C(=C3C2=O)C(=O)O)C(=O)O)O)O)C(=O)C","RHAXKFFKGZJUOE-UHFFFAOYSA-N","5355255",NA,"PDBC56888","170008","Present"
-"lanatoside b","","","","","","","","","","","","","","","","","","","","lanatoside b","","CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O","XVAPNQFQPDAROQ-UHFFFAOYSA-N","407583",NA,"PDBC56889","7535","Present"
-"lapinone","","","","","","","","","","","","","","","","","","","","lapinone","","CCCCCC(CCCCC)(CCCCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O)O","ZGDKVXNTDIAIEZ-UHFFFAOYSA-N","220607",NA,"PDBC56890","3578","Present"
-"laurusin","","","","","","","","","","","","","","","","","","","","laurusin","","C1=NC2=C(NN=C2C(=O)N1)C3C(C(C(O3)CO)O)O","MTCJZZBQNCXKAP-UHFFFAOYSA-N","135476719",NA,"PDBC56891","106486","Present"
-"ldn-193594","","","","","","","","","","","","","","","","","","","","ldn-193594","","C1=CC=C(C(=C1)C(=O)C2=C(N=C(S2)NC3=CN=CC=C3)N)F","XHJMMMPXTUEBMQ-UHFFFAOYSA-N","54581340",NA,"PDBC56892","747885","Present"
-"lithol red ca","","","","","","","","","","","","","","","","","","","","lithol red ca","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)O","SRPCPRSDICCCRQ-UHFFFAOYSA-N","14200",NA,"PDBC56893","16089","Present"
-"litomycin","","","","","","","","","","","","","","","","","","","","litomycin","","CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C5=C(C(=C4C2=O)O)C6(C(OC5CC6O)C)O)O","QBQXQYSJPWXZJL-UHFFFAOYSA-N","135460332",NA,"PDBC56894","77038","Present"
-"ltbr agonist mab","","","","","","","","","","","","","","","","","","","","ltbr agonist mab","","","","",NA,"PDBC56895","767067","Present"
-"luzopeptin a","","","","","","","","","","","","","","","","","","","","luzopeptin a","","","","",NA,"PDBC56896","308312","Present"
-"m-Methoxybenzylidene cyclopropylbarbituric acid","","","","","","","","","","","","","","","","","","","","m-Methoxybenzylidene cyclopropylbarbituric acid","","COC1=CC=CC(=C1)C2CC23C(=O)NC(=O)NC3=O","QCWQPNRCUKKSLQ-UHFFFAOYSA-N","370540",NA,"PDBC56897","643767","Present"
-"m-Phenoxy-alpha-phenylcinnamonitrile","","","","","","","","","","","","","","","","","","","","m-Phenoxy-.alpha.-phenylcinnamonitrile","","C1=CC=C(C=C1)C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N","DPFAIDMMMKMGKQ-RGEXLXHISA-N","21142137",NA,"PDBC56898","643032","Present"
-"m-Phenoxybenzylidenepinacolone","","","","","","","","","","","","","","","","","","","","m-Phenoxybenzylidenepinacolone","","CC(C)(C)C(=O)C=CC1=CC(=CC=C1)OC2=CC=CC=C2","OBLPOFIMGCYGIC-OUKQBFOZSA-N","6280179",NA,"PDBC56899","643030","Present"
-"m-Tolyl-(3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl)-amine","","","","","","","","","","","","","","","","","","","","m-Tolyl-(3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl)-amine","","CC1=CC(=CC=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","KYFFZHWTUKNLHD-BMRADRMJSA-N","3106767",NA,"PDBC56900","698360","Present"
-"mab347","","","","","","","","","","","","","","","","","","","","mab347","","","","",NA,"PDBC56901","761264","Present"
-"mab631","","","","","","","","","","","","","","","","","","","","mab631","","","","",NA,"PDBC56902","759061","Present"
-"mafosfamide","","","","","","","","","","","","","","","","","","","","mafosfamide","","C1CCC(CC1)N.C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCCl","AJOJXYODECALSX-UHFFFAOYSA-N","335628",NA,"PDBC56903","345842","Present"
-"margetine","","","","","","","","","","","","","","","","","","","","margetine","","C1OC2=C(O1)C=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O","YYDLFVZOIDOGSO-UHFFFAOYSA-N","434381",NA,"PDBC56904","349155","Present"
-"mefloquine (usan)","","","","","","","","","","","","","","","","","","","","mefloquine (usan)","","C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl","WESWYMRNZNDGBX-UHFFFAOYSA-N","441362",NA,"PDBC56905","758233","Present"
-"mer-Trichlorotris-1-ethylimidazoleruthenium(III)","","","","","","","","","","","","","","","","","","","","mer-Trichlorotris-1-ethylimidazoleruthenium(III)","","","","",NA,"PDBC56906","630125","Present"
-"mercaptamine","","","","","","","","","","","","","","","","","","","","mercaptamine","","","","",NA,"PDBC56907","25116","Present"
-"mercuryl","","","","","","","","","","","","","","","","","","","","mercuryl","","B(O)(O[Hg]C1=CC=CC=C1)O[Hg]C2=CC=CC=C2","HCIUVGKUNYOVBM-UHFFFAOYSA-N","16683655",NA,"PDBC56908","35683","Present"
-"merophan","","","","","","","","","","","","","","","","","","","","merophan","","C1=CC=C(C(=C1)CC(C(=O)O)N)N(CCCl)CCCl","ZJHNCWIVJDCKSB-UHFFFAOYSA-N","9571",NA,"PDBC56909","57199","Present"
-"meso-tetra(6-methoxy)calix[4]pyrrols","","","","","","","","","","","","","","","","","","","","meso-tetra(6-methoxy)calix[4]pyrrols","","COC1=CC2=C(C=C1)OC(=O)C=C2C3C4=CC=C(N4)C(C5=CC=C(N5)C(C6=CC=C(N6)C(C7=CC=C3N7)C8=CC(=O)OC9=C8C=C(C=C9)OC)C1=CC(=O)OC2=C1C=C(C=C2)OC)C1=CC(=O)OC2=C1C=C(C=C2)OC","DUQOZEXAVNLCDM-UHFFFAOYSA-N","155812000",NA,"PDBC56910","788351","Present"
-"meso-tetra(6-methyl coumarin) calix[4]pyrroles","","","","","","","","","","","","","","","","","","","","meso-tetra(6-methyl coumarin) calix[4]pyrroles","","CC1=CC2=C(C=C1)OC(=O)C=C2C3C4=CC=C(N4)C(C5=CC=C(N5)C(C6=CC=C(N6)C(C7=CC=C3N7)C8=CC(=O)OC9=C8C=C(C=C9)C)C1=CC(=O)OC2=C1C=C(C=C2)C)C1=CC(=O)OC2=C1C=C(C=C2)C","LNCHPDRGFYTFCN-UHFFFAOYSA-N","155807270",NA,"PDBC56911","788356","Present"
-"methoxymethyldispiro[[?]]one","","","","","","","","","","","","","","","","","","","","methoxymethyldispiro[[?]]one","","COCC1C(=O)C2=CC3=C(C=C2C14C=CC5(C=C4)OCCO5)OCO3","XTEOWTNFWUTXPW-UHFFFAOYSA-N","370913",NA,"PDBC56912","644651","Present"
-"methyl 4-[2-(1-ethylpropyl)-4-quinazolinylamino]benzoate","","","","","","","","","","","","","","","","","","","","methyl 4-[2-(1-ethylpropyl)-4-quinazolinylamino]benzoate","","CCC(CC)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)OC","IXRIBIIINJPZMP-UHFFFAOYSA-N","727472",NA,"PDBC56913","730028","Present"
-"methyl(1-methylbut-3-enyl)[?]ol","","","","","","","","","","","","","","","","","","","","methyl(1-methylbut-3-enyl)[?]ol","","CC1C2CC3=C(C1(CCN2)C(C)CC=C)C=C(C=C3)O","FFZIDAYPZLTCSZ-UHFFFAOYSA-N","379846",NA,"PDBC56914","664978","Present"
-"methyl[?]diamine","","","","","","","","","","","","","","","","","","","","methyl[?]diamine","","CC12C3=C4C=CC=C3OC5=C1C(=CC(=C5)N)OC6=CC(=CC(=C26)O4)N","BCTNDZQXDUOJQR-UHFFFAOYSA-N","393362",NA,"PDBC56915","695169","Present"
-"methyl[?]imine","","","","","","","","","","","","","","","","","","","","methyl[?]imine","","CN1C=NC2=C(C1=N)SC3=NC4=CC=CC=C4N23","SLRLPJRQQJBSMA-UHFFFAOYSA-N","392246",NA,"PDBC56916","692382","Present"
-"methylene(phenyl)[?]","","","","","","","","","","","","","","","","","","","","methylene(phenyl)[?]","","C=C1C2C3=CC=CC=C3OC1ON2C4=CC=CC=C4","RISQKOIRISDKFS-UHFFFAOYSA-N","361149",NA,"PDBC56917","623981","Present"
-"methylenomycin a","","","","","","","","","","","","","","","","","","","","methylenomycin a","","CC12C(C(=C)C(=O)C1(O2)C)C(=O)O","HBECYYFDLZZMPL-UHFFFAOYSA-N","122733",NA,"PDBC56918","237001","Present"
-"michicarcin","","","","","","","","","","","","","","","","","","","","michicarcin","","","","",NA,"PDBC56919","191959","Present"
-"mithramycin SA-L-alanine methyl ester","","","","","","","","","","","","","","","","","","","","mithramycin SA-L-alanine methyl ester","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(C)C(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","HBSFCZMOLYSUFM-KDZHNWKMSA-N","155817209",NA,"PDBC56920","780455","Present"
-"mithramycin SA-L-glycine methyl ester","","","","","","","","","","","","","","","","","","","","mithramycin SA-L-glycine methyl ester","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NCC(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","IYNFJJZHCUBHPC-ZKDCJRNVSA-N","155817196",NA,"PDBC56921","780456","Present"
-"mithramycin SA-L-lysine-O-tBu","","","","","","","","","","","","","","","","","","","","mithramycin SA-L-lysine-O-tBu","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(CCCCNC(=O)OCC6=CC=CC=C6)C(=O)OC(C)(C)C)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","OBJLIHOUBNKOFL-NXRQRZPPSA-N","155815230",NA,"PDBC56922","780461","Present"
-"mithramycin SA-L-phenylalanine methyl ester","","","","","","","","","","","","","","","","","","","","mithramycin SA-L-phenylalanine methyl ester","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(CC6=CC=CC=C6)C(=O)OC)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","WHRHJGQUYQCUGP-GPWMUCFLSA-N","155815239",NA,"PDBC56923","780459","Present"
-"mithramycin SA-L-tryptophan methyl ester","","","","","","","","","","","","","","","","","","","","mithramycin SA-L-tryptophan methyl ester","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)OC)OC)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)OC1CC(C(C(O1)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","HDFPUIGVWMMVMM-KRZOGROPSA-N","155812178",NA,"PDBC56924","780458","Present"
-"mithramycin SA-L-tyrosine methyl ester","","","","","","","","","","","","","","","","","","","","mithramycin SA-L-tyrosine methyl ester","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(CC6=CC=C(C=C6)O)C(=O)OC)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","NCZWUEWKLCSUNO-CXPSBOMVSA-N","155809014",NA,"PDBC56925","780462","Present"
-"mithramycin SA-L-valine methyl ester","","","","","","","","","","","","","","","","","","","","mithramycin SA-L-valine methyl ester","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(C(C)C)C(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","FYIRQUFQXRVBQV-DIJMLNEKSA-N","155813585",NA,"PDBC56926","780457","Present"
-"mithramycin SA-methyl ester","","","","","","","","","","","","","","","","","","","","mithramycin SA-methyl ester","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","SQAFSVRMMTVAFE-FEDLORSXSA-N","155815035",NA,"PDBC56927","780454","Present"
-"mitocromin","","","","","","","","","","","","","","","","","","","","mitocromin","","","","",NA,"PDBC56928","77471","Present"
-"mitoxantrone hydrochloride (usan)","","","","","","","","","","","","","","","","","","","","mitoxantrone hydrochloride (usan)","","C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO.Cl","MKCBCZDNNZPMCG-UHFFFAOYSA-N","5458171",NA,"PDBC56929","758450","Present"
-"mono(bis(6-amino-6,7-dihydro-1H-purin-1-yl)platinum(IV))...","","","","","","","","","","","","","","","","","","","","mono(bis(6-amino-6,7-dihydro-1H-purin-1-yl)platinum(IV))...","","","","",NA,"PDBC56930","177395","Present"
-"monoaqua((E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)...","","","","","","","","","","","","","","","","","","","","monoaqua((E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)...","","","","",NA,"PDBC56931","797763","Present"
-"monoaqua(E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)-...","","","","","","","","","","","","","","","","","","","","monoaqua(E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)-...","","","","",NA,"PDBC56932","797765","Present"
-"morpholino(phenyl)[?]one","","","","","","","","","","","","","","","","","","","","morpholino(phenyl)[?]one","","C1CC2C(C1)(ON3C2(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)N6CCOCC6","BLGLJWCTEAFVSH-UHFFFAOYSA-N","374524",NA,"PDBC56933","652275","Present"
-"mu-Bis(terephthalato)dimolybdenum(II)-diaquo","","","","","","","","","","","","","","","","","","","",".mu.-Bis(terephthalato)dimolybdenum(II)-diaquo","","C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Mo+2].[Mo+2]","UQXCKSLHTFFIKM-UHFFFAOYSA-J","368535",NA,"PDBC56934","639610","Present"
-"musc_zd","","","","","","","","","","","","","","","","","","","musc_zd","","","","","",NA,"PDBC56935","","Absent"
-"myricoside","","","","","","","","","","","","","","","","","","","","myricoside","","CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)OC5C(C(CO5)(CO)O)O)O","KAKUSAKVVYFENV-QQJCWCMXSA-N","45027866",NA,"PDBC56936","729648","Present"
-"n'-(6-Methoxyquinolin-8-yl)-n,n-dioctylhexane-1,6-diamine","","","","","","","","","","","","","","","","","","","","n'-(6-Methoxyquinolin-8-yl)-n,n-dioctylhexane-1,6-diamine","","CCCCCCCCN(CCCCCCCC)CCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2","ZNYLWHXTCVMCEC-UHFFFAOYSA-N","245070",NA,"PDBC56937","56614","Present"
-"n'1,n'2-Diphenylethanedihydrazide","","","","","","","","","","","","","","","","","","","","NSC6926","","C1=CC=C(C=C1)NNC(=O)C(=O)NNC2=CC=CC=C2","KNYRBAZKFQHSLZ-UHFFFAOYSA-N","221850",NA,"PDBC56938","6926","Present"
-"n,n'-Bis(5-methylhexan-3-yl)benzene-1,4-diamine","","","","","","","","","","","","","","","","","","","","n,n'-Bis(5-methylhexan-3-yl)benzene-1,4-diamine","","CCC(CC(C)C)NC1=CC=C(C=C1)NC(CC)CC(C)C","UKZGYDMZONDGPW-UHFFFAOYSA-N","245164",NA,"PDBC56939","56773","Present"
-"n,n'-[2,5-Bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]diheptanamide","","","","","","","","","","","","","","","","","","","","Heptanamide, N,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-c...","","CCCCCCC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)CCCCCC)N3CC3","DGHMMLJLIHHGAO-UHFFFAOYSA-N","242907",NA,"PDBC56940","51916","Present"
-"n,n,n-Trimethyl(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)methanaminium iodide","","","","","","","","","","","","","","","","","","","","2-Naphthalenemethanaminium, 1,2,3,4-tetrahydro-N,N,N-tri...","","C[N+](C)(C)CC1CCC2=CC=CC=C2C1=O.[I-]","BPERJTVPTVXRSE-UHFFFAOYSA-M","375929",NA,"PDBC56941","656280","Present"
-"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-2,4,4-trimethylpentan-2-amine","","","","","","","","","","","","","","","","","","","","n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-2,4,4-trimethylpentan-2-amine","","CC(C)(C)CC(C)(C)N(CSC1=CC=C(C=C1)Cl)CSC2=CC=C(C=C2)Cl","VGEPVMWVSYKROM-UHFFFAOYSA-N","268812",NA,"PDBC56942","109254","Present"
-"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline","","","","","","","","","","","","","","","","","","","","n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline","","CC1=CC=C(C=C1)N(CSC2=CC=C(C=C2)Cl)CSC3=CC=C(C=C3)Cl","FVPONDWGZCSNHX-UHFFFAOYSA-N","248767",NA,"PDBC56943","66211","Present"
-"n,n-Dimethyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","n,n-Dimethyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine","","CN(C)C1=NC=NC2=C1C=CN2C3C(C(C(O3)CO)O)O","CYLYFNNDWSNWPM-UHFFFAOYSA-N","264884",NA,"PDBC56944","100279","Present"
-"n-(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","ppm-18","","C1=CC=C(C=C1)C(=O)NC2=CC(=O)C3=CC=CC=C3C2=O","BIVQBWSIGJFXLF-UHFFFAOYSA-N","4882",NA,"PDBC56945","73233","Present"
-"n-(1h-Benzimidazol-2-ylmethyl)-4-(trifluoromethyl)aniline","","","","","","","","","","","","","","","","","","","","n-(1h-Benzimidazol-2-ylmethyl)-4-(trifluoromethyl)aniline","","C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(F)(F)F","DDNCOSXRIORPFP-UHFFFAOYSA-N","245203",NA,"PDBC56946","56908","Present"
-"n-(2,3-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide","","","","","","","","","","","","","","","","","","","","Benzamide, N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro- (9CI)","","CC1=C(C(=CC=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)C","GCJQONISBVKGOY-UHFFFAOYSA-N","255923",NA,"PDBC56947","82028","Present"
-"n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide","","","","","","","","","","","","","","","","","","","","N-[2-(4-chloroanilino)-1-methyl-2-oxoethoxy]-3,5-bis(tri...","","CC(C(=O)NC1=CC=C(C=C1)Cl)ONC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","DSMXVSGJIDFLKP-UHFFFAOYSA-N","2726015",NA,"PDBC56948","742825","Present"
-"n-(2-Amino-1,2-dicyanovinyl)formamidine","","","","","","","","","","","","","","","","","","","","NSC670237","","C(=NC(=C(C#N)N)C#N)N","JOWVYROMILUUHH-PLNGDYQASA-N","5468431",NA,"PDBC56949","670237","Present"
-"n-(2-Hydroxyethyl)-4-nitrobenzamide","","","","","","","","","","","","","","","","","","","","Benzamide, N-(2-hydroxyethyl)-p-nitro-","","C1=CC(=CC=C1C(=O)NCCO)[N+](=O)[O-]","HSVWGRARUBXOMD-UHFFFAOYSA-N","241548",NA,"PDBC56950","49010","Present"
-"n-(2-Methylphenyl)-n-(phenylsulfonyl)glycine","","","","","","","","","","","","","","","","","","","","CBMicro_002334","","CC1=CC=CC=C1N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2","NEYAJGGMLUBRQR-UHFFFAOYSA-N","362732",NA,"PDBC56951","626987","Present"
-"n-(2-Nitrophenyl)-3-oxobutanamide","","","","","","","","","","","","","","","","","","","","J3.613.149G","","CC(=O)CC(=O)NC1=CC=CC=C1[N+](=O)[O-]","ZBRNSHANCDLJAA-UHFFFAOYSA-N","365130",NA,"PDBC56952","632230","Present"
-"n-(2-Nitrophenyl)-9h-xanthen-9-amine","","","","","","","","","","","","","","","","","","","","n-(2-Nitrophenyl)-9h-xanthen-9-amine","","C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC4=CC=CC=C4[N+](=O)[O-]","UOUDUFDHSNINND-UHFFFAOYSA-N","244706",NA,"PDBC56953","55804","Present"
-"n-(3,5-Dimethyl-2,4,6-trinitrophenyl)-3,5-dimethyl-2,4,6-trinitroaniline","","","","","","","","","","","","","","","","","","","","n-(3,5-Dimethyl-2,4,6-trinitrophenyl)-3,5-dimethyl-2,4,6-trinitroaniline","","CC1=C(C(=C(C(=C1[N+](=O)[O-])NC2=C(C(=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])C)[N+](=O)[O-]","KLRUMXLUOGELHG-UHFFFAOYSA-N","261155",NA,"PDBC56954","93077","Present"
-"n-(3-Hydroxy-4-methoxyphenyl)-3,4,5-trimethoxybenzamide","","","","","","","","","","","","","","","","","","","","NSC758538","","COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)O","SXFWFIHSAXZJRF-UHFFFAOYSA-N","16109334",NA,"PDBC56955","758538","Present"
-"n-(3-tosylthiophen-2-yl)benzamide","","","","","","","","","","","","","","","","","","","","n-(3-tosylthiophen-2-yl)benzamide","","CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C3=CC=CC=C3","JKIAQPDERNGWCB-UHFFFAOYSA-N","392839",NA,"PDBC56956","693817","Present"
-"n-(4-Hydroxy-1-naphthyl)-2-iodoacetamide","","","","","","","","","","","","","","","","","","","","NSC188493","","C1=CC=C2C(=C1)C(=CC=C2O)NC(=O)CI","ADGGZCDWGCLGNT-UHFFFAOYSA-N","276884",NA,"PDBC56957","188493","Present"
-"n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine","","","","","","","","","","","","","","","","","","","","n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine","","C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-]","ZFVXGNGPIXWVEL-UHFFFAOYSA-N","234474",NA,"PDBC56958","34444","Present"
-"n-(7-Nitro-9h-fluoren-2-yl)formamide","","","","","","","","","","","","","","","","","","","","n-(7-Nitro-9h-fluoren-2-yl)formamide","","C1C2=C(C=CC(=C2)NC=O)C3=C1C=C(C=C3)[N+](=O)[O-]","NNVUDKLVHMGGOQ-UHFFFAOYSA-N","227158",NA,"PDBC56959","18460","Present"
-"n-(butoxycarbonyl)deacetylthiocolchicine","","","","","","","","","","","","","","","","","","","","n-(butoxycarbonyl)deacetylthiocolchicine","","CCCCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","BJAJYTAHDSJTTM-SFHVURJKSA-N","341041",NA,"PDBC56960","372486","Present"
-"n-107-4 (streptomyces sp)","","","","","","","","","","","","","","","","","","","","n-107-4 (streptomyces sp)","","","","",NA,"PDBC56961","355638","Present"
-"n-Carbamoyl-2-iodoacetamide","","","","","","","","","","","","","","","","","","","","(Iodoacetyl)urea","","C(C(=O)NC(=O)N)I","LEAQQJITAXQHNQ-UHFFFAOYSA-N","234533",NA,"PDBC56962","34541","Present"
-"n-Cyclohexyl-3-hydroxynaphthalene-2-carboxamide","","","","","","","","","","","","","","","","","","","","N-cyclohexyl-3-hydroxy-2-naphthamide","","C1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3C=C2O","XMCXTRGQLIANRN-UHFFFAOYSA-N","235837",NA,"PDBC56963","37612","Present"
-"n-Decylaminoethanethiosulfuric acid","","","","","","","","","","","","","","","","","","","","n-Decylaminoethanethiosulfuric acid","","CCCCCCCCCCNCCSS(=O)(=O)O","BWZPDRUAQQXBIL-UHFFFAOYSA-N","77356",NA,"PDBC56964","320931","Present"
-"n-Ethenyl-n-methylmethanesulfonamide","","","","","","","","","","","","","","","","","","","","N-Methyl-N-vinyl-methanesulfonamide","","CN(C=C)S(=O)(=O)C","WZQIQDXPJLYRCF-UHFFFAOYSA-N","276092",NA,"PDBC56965","123332","Present"
-"n-Hydroxy-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine","","","","","","","","","","","","","","","","","","","","7H-Pyrrolo[2,3-d]pyrimidin-4(3H)-one, 7-.beta.-D-ribofur...","","C1=CN(C2=NC=NC(=C21)NO)C3C(C(C(O3)CO)O)O","AESDJLQYSFFKSC-UHFFFAOYSA-N","275781",NA,"PDBC56966","122816","Present"
-"n-Methyl-5-nitroquinolin-6-amine","","","","","","","","","","","","","","","","","","","","TC-109411","","CNC1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]","FKTDYZCHWXTGMA-UHFFFAOYSA-N","368565",NA,"PDBC56967","639644","Present"
-"n-Methylidene-4-nitroaniline","","","","","","","","","","","","","","","","","","","","n-Methylidene-4-nitroaniline","","C=NC1=CC=C(C=C1)[N+](=O)[O-]","HXHIWKCPLNZQQD-UHFFFAOYSA-N","235506",NA,"PDBC56968","36952","Present"
-"n-Undecylformamide","","","","","","","","","","","","","","","","","","","","n-Undecylformamide","","CCCCCCCCCCCNC=O","SIMTXFOEYKYLRD-UHFFFAOYSA-N","268113",NA,"PDBC56969","108212","Present"
-"n-[2-(Benzyloxy)phenyl]-2,2-dichloro-n-hydroxyacetamide","","","","","","","","","","","","","","","","","","","","n-[2-(Benzyloxy)phenyl]-2,2-dichloro-n-hydroxyacetamide","","C1=CC=C(C=C1)COC2=CC=CC=C2N(C(=O)C(Cl)Cl)O","DTRKNNWKWLTQLE-UHFFFAOYSA-N","285364",NA,"PDBC56970","142226","Present"
-"n-[4-(2,3-Dihydroxypropoxy)phenyl]acetamide","","","","","","","","","","","","","","","","","","","","LS-120105","","CC(=O)NC1=CC=C(C=C1)OCC(CO)O","GRAOWBQCLZIQIW-UHFFFAOYSA-N","92643",NA,"PDBC56971","636800","Present"
-"n-[4-(4-Chlorophenyl)-3,5-dicyano-6-hydroxy-2-oxopyridin-1(2h)-yl]benzenesulfonamide","","","","","","","","","","","","","","","","","","","","n-[4-(4-Chlorophenyl)-3,5-dicyano-6-hydroxy-2-oxopyridin-1(2h)-yl]benzenesulfonamide","","C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)O","YCMBQIXALPOGJO-UHFFFAOYSA-N","390288",NA,"PDBC56972","687580","Present"
-"n-[4-(Acridin-9-ylamino)-2-methylphenyl]methanesulfonamide methanesulfonate(1:1)","","","","","","","","","","","","","","","","","","","","n-[4-(Acridin-9-ylamino)-2-methylphenyl]methanesulfonamide methanesulfonate(1:1)","","CC1=C(C=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NS(=O)(=O)C.CS(=O)(=O)O","NBCYUEHVFYAJFS-UHFFFAOYSA-N","291301",NA,"PDBC56973","156308","Present"
-"n-[6'-(Diethylamino)-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthen]-2'-yl]-n-phenylacetamide","","","","","","","","","","","","","","","","","","","","Acetamide, N-[6'-(diethylamino)-3-oxospiro-[isobenzofura...","","CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N(C6=CC=CC=C6)C(=O)C","LTRYPUNJHFFAMO-UHFFFAOYSA-N","389678",NA,"PDBC56974","686130","Present"
-"n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methylaniline","","","","","","","","","","","","","","","","","","","","n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methylaniline","","CC1=CC=C(C=C1)NCSC2=CC=C(C=C2)Cl","WVXCLKIMORBOGJ-UHFFFAOYSA-N","245731",NA,"PDBC56975","57958","Present"
-"n1,n1-Dimethyl-n2-(1-nitroacridin-9-yl)propane-1,2-diamine","","","","","","","","","","","","","","","","","","","","n1,n1-Dimethyl-n2-(1-nitroacridin-9-yl)propane-1,2-diamine","","CC(CN(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]","OMMVCTMDWJLPLM-UHFFFAOYSA-N","125178",NA,"PDBC56976","673789","Present"
-"n1-(7-Chloroquinolin-4-yl)-n4,n4-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine","","","","","","","","","","","","","","","","","","","","NSC10493///NSC13300","","CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)OC","ONWXIFYYIJRKRF-UHFFFAOYSA-N","223171",NA,"PDBC56977","10493///13300","Present"
-"n4-(4-Iodophenyl)-5-nitrosopyrimidine-2,4,6-triamine","","","","","","","","","","","","","","","","","","","","Pyrimidine, 2,4-diamino-6-(p-iodoanilino)-5-nitroso-","","C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)I","CRJCMDFURROWOI-UHFFFAOYSA-N","247696",NA,"PDBC56978","62752","Present"
-"narangomycin","","","","","","","","","","","","","","","","","","","","narangomycin","","","","",NA,"PDBC56979","63445","Present"
-"ncgc00241410-01","","","","","","","","","","","","","","","","","","","","ncgc00241410-01","","C1C(CN1)NC2=CC=CC(=N2)C3=CN=C4N3C=C(C=C4)Cl","RDTAHMIMQLRAMR-UHFFFAOYSA-N","25169382",NA,"PDBC56980","767162","Present"
-"ncgc00262376-01","","","","","","","","","","","","","","","","","","","","ncgc00262376-01","","C1CNCC1NC2=CC=CC(=N2)C3=CN=C4N3C=C(C=C4)C5=CNN=C5","YERJPPBISXRGBC-OAHLLOKOSA-N","73265219",NA,"PDBC56981","767163","Present"
-"ndr a3680","","","","","","","","","","","","","","","","","","","","ndr a3680","","C1COCCN1CCNCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl","YMSBKLBNDJAACW-UHFFFAOYSA-N","462365",NA,"PDBC56982","169877","Present"
-"neopluramycin, hcl","","","","","","","","","","","","","","","","","","","","neopluramycin, hcl","","","","",NA,"PDBC56983","295564","Present"
-"nitro trifluoro benzylurea","","","","","","","","","","","","","","","","","","","","nitro trifluoro benzylurea","","C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)C(F)(F)F)[N+](=O)[O-]","ICDRYYPOSXDURK-UHFFFAOYSA-N","361500",NA,"PDBC56984","624544","Present"
-"nitro-mbf-cl","","","","","","","","","","","","","","","","","","","","nitro-mbf-cl","","COC1=CC2=C(C=C1)OC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl","QXOZQTZJASWELT-UHFFFAOYSA-N","393955",NA,"PDBC56985","696991","Present"
-"nmk1","","","","","","","","","","","","","","","","","","","","nmk1","","CC1=NC2=NC(=CC(=C2C=C1)NN=CC3=CC=CO3)C","SJGOGFDSNOVULN-SXGWCWSVSA-N","155809670",NA,"PDBC56986","771647","Present"
-"nogalamycin compound b","","","","","","","","","","","","","","","","","","","","nogalamycin compound b","","CC1=C(C2=CC3=C(C(=C2C=C1)O)C(=O)C4=C(C=C5C(=C4C3=O)OC6(C(C(C(C5(O6)C)O)N(C)C)O)C)O)C(=O)OC","OBRZWGUUEBAZNK-UHFFFAOYSA-N","4348193",NA,"PDBC56987","82892","Present"
-"nonyl[?]dione","","","","","","","","","","","","","","","","","","","","nonyl[?]dione","","CCCCCCCCCC1CC(=O)OC23C1(O2)C(=O)CCC3","QIUSKHSSTDFNTJ-UHFFFAOYSA-N","365032",NA,"PDBC56988","631967","Present"
-"note for the structure: it's a N-oxide derivative","","","","","","","","","","","","","","","","","","","","note for the structure: it's a N-oxide derivative","","COC1=CC2=C(C(=O)N=C2C=C1)C=C3C=CN(C=C3)O","PZAOKUHBYRWKSU-UHFFFAOYSA-N","14952715",NA,"PDBC56989","734194","Present"
-"notonesomycin","","","","","","","","","","","","","","","","","","","","notonesomycin","","","","",NA,"PDBC56990","608604","Present"
-"o-AMSA monomethanesulfonate","","","","","","","","","","","","","","","","","","","","o-AMSA monomethanesulfonate","","COC1=C(C=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NS(=O)(=O)C.CS(=O)(=O)O","XTGHQDVFUMUYSW-UHFFFAOYSA-N","148799",NA,"PDBC56991","156306","Present"
-"o-Aminoazotoluene","","","","","","","","","","","","","","","","","","","","NSC1797///NSC26821","","CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C","PFRYFZZSECNQOL-UHFFFAOYSA-N","7340",NA,"PDBC56992","1797///26821","Present"
-"o-Bromo-alpha-benzoyl cinnamonitrile","","","","","","","","","","","","","","","","","","","","o-Bromo-.alpha.-benzoyl cinnamonitrile","","C1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2Br)C#N","IFOCECLBVDYQHT-GXDHUFHOSA-N","6061570",NA,"PDBC56993","643769","Present"
-"o-Cresolphthalein","","","","","","","","","","","","","","","","","","","","o-Cresolphthalein","","CC1=CC(=C(C2=CC(=C(C=C2)O)C)C3=CC=CC=C3C(=O)O)C=CC1=O","VRKTWSJIQFFUOJ-PGMHBOJBSA-N","3246032",NA,"PDBC56994","10470","Present"
-"o-Fluoro-alpha-benzoyl cinnamonitrile","","","","","","","","","","","","","","","","","","","","o-Fluoro-.alpha.-benzoyl cinnamonitrile","","C1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2F)C#N","ACSMMSVGMDRPLV-GXDHUFHOSA-N","5904290",NA,"PDBC56995","643772","Present"
-"o-Methoxy-alpha-benzoylcinnamonitrile","","","","","","","","","","","","","","","","","","","","o-Methoxy-.alpha.-benzoylcinnamonitrile","","COC1=CC=CC=C1C=C(C#N)C(=O)C2=CC=CC=C2","KZHSJEJCIOWDDR-RVDMUPIBSA-N","5345775",NA,"PDBC56996","643764","Present"
-"o-Methoxy-alpha-methylphenethylamine hydrochloride","","","","","","","","","","","","","","","","","","","","2-AMINO-1-(2-METHOXYPHENYL)PROPANE, HYDROCHLORIDE","","CC(CC1=CC=CC=C1OC)N.Cl","SXQBBTRLKWTAPV-UHFFFAOYSA-N","3029810",NA,"PDBC56997","1139","Present"
-"o-Methyl-N,N'-diisopropylisourea","","","","","","","","","","","","","","","","","","","","8YEQ5QMC58","","CC(C)NC(=NC(C)C)OC","PUVRRPLSJKDMKH-UHFFFAOYSA-N","383824",NA,"PDBC56998","672441","Present"
-"o-Veratroin","","","","","","","","","","","","","","","","","","","","o-Veratroin","","COC1=CC=CC(=C1OC)C(C(=O)C2=C(C(=CC=C2)OC)OC)O","OOCMVIWZLARXOS-UHFFFAOYSA-N","231101",NA,"PDBC56999","26676","Present"
-"ochromycinone","","","","","","","","","","","","","","","","","","","","ochromycinone","","CC1CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O","ZAWXOCUFQSQDJS-UHFFFAOYSA-N","363709",NA,"PDBC57000","628869","Present"
-"octyl","","","","","","","","","","","","","","","","","","","","octyl","","CC(C)(C)CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)CC(C)(C)C)C2)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)O","KCUQVAUQRGDGKP-UHFFFAOYSA-N","366248",NA,"PDBC57001","634595","Present"
-"olive r base","","","","","","","","","","","","","","","","","","","","olive r base","","C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=C5C(=C(C=C4)NC(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C8C3=O","OZMARZSNLQTLII-UHFFFAOYSA-N","5362451",NA,"PDBC57002","163299","Present"
-"oxo(phenyl)[?]tricarbonitrile","","","","","","","","","","","","","","","","","","","","oxo(phenyl)[?]tricarbonitrile","","C1CCC23C(C1)C(C(=O)N2)(C(C(N3)C4=CC=CC=C4)(C#N)C#N)C#N","UXSIPYYTPPHKCY-UHFFFAOYSA-N","395674",NA,"PDBC57003","700456","Present"
-"p,beta-Dinitrostyrene","","","","","","","","","","","","","","","","","","","","p,.beta.-Dinitrostyrene","","C1=CC(=CC=C1C=C[N+](=O)[O-])[N+](=O)[O-]","HABXLWPUIWFTNM-AATRIKPKSA-N","5355016",NA,"PDBC57004","23858","Present"
-"p-(2-Nitropropenyl)anisole","","","","","","","","","","","","","","","","","","","","p-(2-Nitropropenyl)anisole","","CC(=CC1=CC=C(C=C1)OC)[N+](=O)[O-]","XQGFRDLMKKKSAH-FPLPWBNLSA-N","5372879",NA,"PDBC57005","65601","Present"
-"p-ARSANILIC ACID, 2-HYDROXY-","","","","","","","","","","","","","","","","","","","","wln: zr cq d-as-qqo","","C1=CC(=C(C=C1N)O)[As](=O)(O)O","AKYBBBJGFPEQLG-UHFFFAOYSA-N","22773",NA,"PDBC57006","31664","Present"
-"p-Acetoxy-alpha-diethylphosphono-cinnamonitrile","","","","","","","","","","","","","","","","","","","","p-Acetoxy-.alpha.-diethylphosphono-cinnamonitrile","","CCOP(=O)(C(=CC1=CC=C(C=C1)OC(=O)C)C#N)OCC","PGRREVHWRZTBPS-GDNBJRDFSA-N","54611296",NA,"PDBC57007","643033","Present"
-"p-Arsenoso-N-(2-hydroxyethyl)benzenesulfonamide","","","","","","","","","","","","","","","","","","","","ANTINEOPLASTIC-12715","","C1=CC(=CC=C1S(=O)(=O)NCCO)[As]=O","SAMCUNVIALDNBU-UHFFFAOYSA-N","224336",NA,"PDBC57008","12715","Present"
-"p-Benzenediacrylanilide,3''-bis(1,4,5,6-tetrahydro-2-pyrimidinyl)-, dihydrochloride","","","","","","","","","","","","","","","","","","","","p-Benzenediacrylanilide, 3',3''-bis(1,4,5,6-tetrahydro-2...","","C1CNC(=NC1)C2=CC(=CC=C2)NC(=O)C=CC3=CC=C(C=C3)C=CC(=O)NC4=CC=CC(=C4)C5=NCCCN5.Cl","BSFOYGSAAMAMCS-ZFOVICRLSA-N","54599570",NA,"PDBC57009","80948","Present"
-"p-Benzenediarsonic acid","","","","","","","","","","","","","","","","","","","","p-Benzenediarsonic acid","","C1=CC(=CC=C1[As](=O)(O)O)[As](=O)(O)O","SLXLSSFWERNCQB-UHFFFAOYSA-N","224250",NA,"PDBC57010","12612","Present"
-"p-Benzoquinone, trimethoxy-","","","","","","","","","","","","","","","","","","","","p-Benzoquinone, trimethoxy-","","COC1=CC(=O)C(=C(C1=O)OC)OC","OIMLWOWVDNEGEN-UHFFFAOYSA-N","238795",NA,"PDBC57011","43333","Present"
-"p-Benzoyloxybenzylchloride","","","","","","","","","","","","","","","","","","","","Benzoic acid (4-chlormethyphenyl ) ester","","C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCl","NFJDWPJJWRNWNF-UHFFFAOYSA-N","13486522",NA,"PDBC57012","788822","Present"
-"p-Bromophenacyl benzoate","","","","","","","","","","","","","","","","","","","","p-Bromophenacyl benzoate","","C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br","VTEGMTYLKZOVGZ-UHFFFAOYSA-N","345792",NA,"PDBC57013","403572","Present"
-"p-CHLOROAMPHETAMINE","","","","","","","","","","","","","","","","","","","","p-chloramphetamine","","CC(CC1=CC=C(C=C1)Cl)N","WWPITPSIWMXDPE-UHFFFAOYSA-N","3127",NA,"PDBC57014","287208","Present"
-"p-Chloranilinum[bis(p-chloraniline)dioxalatoruthenate(III)]","","","","","","","","","","","","","","","","","","","","p-Chloranilinum[bis(p-chloraniline)dioxalatoruthenate(III)]","","[H+].C1=CC(=CC=C1N)Cl.C1=CC(=CC=C1N)Cl.C1=CC(=CC=C1N)Cl.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Ru+5]","NYCSEILNNDSNRR-UHFFFAOYSA-K","54608061",NA,"PDBC57015","631477","Present"
-"p-Chlorohomooxacalix[3]arene","","","","","","","","","","","","","","","","","","","","trichloro[?]triol","","C1C2=CC(=CC(=C2O)COCC3=CC(=CC(=C3O)COCC4=C(C(=CC(=C4)Cl)CO1)O)Cl)Cl","KTRUYAKVMFPBAU-UHFFFAOYSA-N","395592",NA,"PDBC57016","700322","Present"
-"p-Coumaroyltyramine","","","","","","","","","","","","","","","","","","","","p-Coumaroyltyramine","","C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O","RXGUTQNKCXHALN-BJMVGYQFSA-N","5372945",NA,"PDBC57017","719214","Present"
-"p-Diazodiphenylamine sulfate-paraformaldehyde polymer","","","","","","","","","","","","","","","","","","","","p-Diazodiphenylamine sulfate-paraformaldehyde polymer","","C=O.C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N.OS(=O)(=O)O","JODZTDZTLZXXGK-UHFFFAOYSA-N","416926",NA,"PDBC57018","83628","Present"
-"p-Dimethylaminocinnamic acid, copper complex","","","","","","","","","","","","","","","","","","","","p-Dimethylaminocinnamic acid, copper complex","","CN(C)C1=CC=C(C=C1)C=CC(=O)[O-].CN(C)C1=CC=C(C=C1)C=CC(=O)[O-].[Cu+2]","VJOKNHRKRUTRQR-SCMMKMJHSA-L","5351393",NA,"PDBC57019","643351","Present"
-"p-Dimethylaminocinnamic acid, sodium salt","","","","","","","","","","","","","","","","","","","","p-Dimethylaminocinnamic acid, sodium salt","","CN(C)C1=CC=C(C=C1)C=CC(=O)O.[Na+]","VDBSBTPXTXVEHZ-HAAWTFQLSA-N","54608832",NA,"PDBC57020","643350","Present"
-"p-Ethylcalix[7]arene","","","","","","","","","","","","","","","","","","","","p-Ethylcalix[7]arene","","CCC1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)CC)CC7=C(C(=CC(=C7)CC)CC8=C(C(=CC(=C8)CC)C2)O)O)O)CC)CC)CC)O","KSIOLCZRPFHBDG-UHFFFAOYSA-N","366252",NA,"PDBC57021","634599","Present"
-"p-Fluorobenzylidene-bis-indanedione","","","","","","","","","","","","","","","","","","","","p-Fluorobenzylidene-bis-indanedione","","C1=CC=C2C(=C1)C(=O)C(C2=O)C(C3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)F","ILVOVXIEFRNHEZ-UHFFFAOYSA-N","370292",NA,"PDBC57022","643147","Present"
-"p-Isopropylcalix-6-arene","","","","","","","","","","","","","","","","","","","","SBN41G8CTO","","CC(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)C(C)C)CC7=C(C(=CC(=C7)C(C)C)C2)O)O)C(C)C)C(C)C)C(C)C)O","HUYWXTRCNXGJSG-UHFFFAOYSA-N","366250",NA,"PDBC57023","634597","Present"
-"p-Methoxy-beta,beta-diacetylstyrene","","","","","","","","","","","","","","","","","","","","p-Methoxy-.beta.,.beta.-diacetylstyrene","","COC1=CC=C(C=C1)C=CC(C(=O)O)C(=O)O","JPOMTDIRVKNQCX-QPJJXVBHSA-N","5908063",NA,"PDBC57024","643765","Present"
-"p-Methylsulfonyl benzyl PDA","","","","","","","","","","","","","","","","","","","","p-Methylsulfonyl benzyl PDA","","CS(=O)(=O)C1=CC=C(C=C1)COP(=O)(N)N(CCCl)CCCl","YKHZULXNYWCKNE-UHFFFAOYSA-N","368408",NA,"PDBC57025","639410","Present"
-"p-Phenoxybenzylidenepinacolone","","","","","","","","","","","","","","","","","","","","p-Phenoxybenzylidenepinacolone","","CC(C)(C)C(=O)C=CC1=CC=C(C=C1)OC2=CC=CC=C2","OMBNYCIRAPPYPB-SDNWHVSQSA-N","5772983",NA,"PDBC57026","643029","Present"
-"p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride","","","","","","","","","","","","","","","","","","","","p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride","","C1=CC(=CC=C1N)N(CCCl)CCCl.Cl","SNFZPEZEZZWYMP-UHFFFAOYSA-N","215727",NA,"PDBC57027","44303","Present"
-"p-Sulfanilylnicotinanilide","","","","","","","","","","","","","","","","","","","","N-(4-(4-aminophenyl-sulfonyl) phenyl) nicotinamide","","C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N","GVZPQGDYSJHIEW-UHFFFAOYSA-N","223187",NA,"PDBC57028","10573","Present"
-"p-Tert-Octylcalix[8]arene","","","","","","","","","","","","","","","","","","","","p-tert-Octylcalix[8]arene","","CC(C)(C)CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=CC(=CC(=C6O)CC7=C(C(=CC(=C7)C(C)(C)CC(C)(C)C)CC8=C(C(=CC(=C8)C(C)(C)CC(C)(C)C)CC9=C(C(=CC(=C9)C(C)(C)CC(C)(C)C)C2)O)O)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)O","LAPRCXMWGDDFBH-UHFFFAOYSA-N","366253",NA,"PDBC57029","634600","Present"
-"p-Toluic acid, alpha-[p-(4-chloro-3-oxo-1-butenyl)anilino]-","","","","","","","","","","","","","","","","","","","","p-Toluic acid, .alpha.-[p-(4-chloro-3-oxo-1-butenyl)anil...","","C1=CC(=CC=C1CNC2=CC=C(C=C2)C=CC(=O)CCl)C(=O)O","JAIZIARYAVWOAL-YHYXMXQVSA-N","5380769",NA,"PDBC57030","106024","Present"
-"p-Toluidine, N-allyl-","","","","","","","","","","","","","","","","","","","","p-Toluidine, N-allyl-","","CC1=CC=C(C=C1)NCC=C","XXLHUDMGBJKFMJ-UHFFFAOYSA-N","246779",NA,"PDBC57031","60288","Present"
-"p-Toluquinone","","","","","","","","","","","","","","","","","","","","tolylquinone","","CC1=CC(=O)C=CC1=O","VTWDKFNVVLAELH-UHFFFAOYSA-N","11122",NA,"PDBC57032","1","Present"
-"p-Tolylsulfonyl N,N-diethylcarbamodithioate","","","","","","","","","","","","","","","","","","","","p-Tolylsulfonyl N,N-diethylcarbamodithioate","","CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)C","OBOBTFMASQIACX-UHFFFAOYSA-N","394909",NA,"PDBC57033","699002","Present"
-"p-t-Octylcalix[5]arene","","","","","","","","","","","","","","","","","","","","p-t-octylcalix[5]arene","","CC(C)(C)CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)CC(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)CC(C)(C)C)C2)O)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)O","VOYSOXGRCXMILG-UHFFFAOYSA-N","366249",NA,"PDBC57034","634596","Present"
-"p-tolylsulfanyl[?]one","","","","","","","","","","","","","","","","","","","","p-tolylsulfanyl[?]one","","CC1=CC=C(C=C1)SC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5","NXDFBOPJSSHYHP-UHFFFAOYSA-N","3889749",NA,"PDBC57035","697749","Present"
-"pactamycin","","","","","","","","","","","","","","","","","","","","pactamycin","","CC1=C(C(=CC=C1)O)C(=O)OCC2(C(C(C(C2(C)O)(C(C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O","WVIUOSJLUCTGFK-UHFFFAOYSA-N","413861",NA,"PDBC57036","52947","Present"
-"palladium, bis(purine-6-thiolato)- (8ci)","","","","","","","","","","","","","","","","","","","","palladium, bis(purine-6-thiolato)- (8ci)","","","","",NA,"PDBC57037","276296","Present"
-"pancratium littorale","","","","","","","","","","","","","","","","","","","","pancratium littorale","","","","",NA,"PDBC57038","376111","Present"
-"pc 255","","","","","","","","","","","","","","","","","","","","pc 255","","C1=CC=C(C(=C1)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)Cl","VTBUHHDYVGHOBM-UHFFFAOYSA-N","237306",NA,"PDBC57039","40666","Present"
-"peliomycin (usan)","","","","","","","","","","","","","","","","","","","","peliomycin (usan)","","","","",NA,"PDBC57040","76455","Present"
-"pent-4-enyl[?]one","","","","","","","","","","","","","","","","","","","","pent-4-enyl[?]one","","C=CCCCC12CCCC3=C1C(=CC=C3)NC2=O","AHLXYZLFKAUGCX-UHFFFAOYSA-N","373266",NA,"PDBC57041","649418","Present"
-"peptide dd1","","","","","","","","","","","","","","","","","","","","peptide dd1","","","","",NA,"PDBC57042","742351","Present"
-"petasitenine","","","","","","","","","","","","","","","","","","","","petasitenine","","CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C","CZQLULNMKQAIQL-ACAGNQJTSA-N","5358779",NA,"PDBC57043","288753","Present"
-"pf 19","","","","","","","","","","","","","","","","","","","","pf 19","","C[N+](C)(C)C1=NC=NC2=C1N=CN2C3CCCO3.[Cl-]","KCNILNLRLGXUJA-UHFFFAOYSA-M","21144230",NA,"PDBC57044","53347","Present"
-"phenylpropyl caffeate","","","","","","","","","","","","","","","","","","","","phenylpropyl caffeate","","C1=CC=C(C=C1)CCCOC(=O)C=CC2=CC(=C(C=C2)O)O","RUTDTHOYUUOTNF-PKNBQFBNSA-N","5922182",NA,"PDBC57045","666589","Present"
-"phenylsulfanyl[?]one","","","","","","","","","","","","","","","","","","","","phenylsulfanyl[?]one","","C1=CC=C(C=C1)SC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5","JWINQZNPSAPACY-UHFFFAOYSA-N","391208",NA,"PDBC57046","690041","Present"
-"phidianidine A amine precursor","","","","","","","","","","","","","","","","","","","","phidianidine A amine precursor","","C1=CC2=C(C=C1Br)NC=C2CC3=NC(=NO3)NCCCCCN","MIONKZLTWUYJRT-UHFFFAOYSA-N","59051601",NA,"PDBC57047","764072","Present"
-"phosphoramide mustard cyclohexylamine salt","","","","","","","","","","","","","","","","","","","","phosphoramide mustard cyclohexylamine salt","","C1CCC(CC1)N.C(CCl)N(CCCl)P(=O)(N)O","BGTIPRUDEMNRIP-UHFFFAOYSA-N","96355",NA,"PDBC57048","69945","Present"
-"piriqualone","","","","","","","","","","","","","","","","","","","","piriqualone","","CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC=CC=N4","MYGZNGAHFWOCLI-YPKPFQOOSA-N","36791339",NA,"PDBC57049","96996","Present"
-"podophyllotoxin deriv. (jurd)","","","","","","","","","","","","","","","","","","","","podophyllotoxin deriv. (jurd)","","CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)N5CCCC5","LCDPJXWAINCJQE-UHFFFAOYSA-N","146614",NA,"PDBC57050","371002","Present"
-"prm-116","","","","","","","","","","","","","","","","","","","prm-116","","","","","",NA,"PDBC57051","","Absent"
-"prm-122","","","","","","","","","","","","","","","","","","","prm-122","","","","","",NA,"PDBC57052","","Absent"
-"protogenkwanone","","","","","","","","","","","","","","","","","","","","protogenkwanone","","COC1=CC(=C2C(=C1)OC(=CC2=O)C3(C=CC(=O)C=C3)O)O","NBGHMZZFGYSLBV-UHFFFAOYSA-N","394646",NA,"PDBC57053","698248","Present"
-"protoporfirin 9","","","","","","","","","","","","","","","","","","","protoporfirin 9","","","","","",NA,"PDBC57054","","Absent"
-"psi,psi-Carotene","","","","","","","","","","","","","","","","","","","","lycopene","","CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C","OAIJSZIZWZSQBC-LWRKPGOESA-N","54603520",NA,"PDBC57055","407322","Present"
-"psi-7977","","","","","","","","","","","","","","","","","","","","Sofosbuvir;(2S)-Isopropyl 2-(((((2R,3R,4R,5R)-5-(2,4-dio...","","CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3","TTZHDVOVKQGIBA-IAAJYNJHSA-N","45375806",NA,"PDBC57056","791959","Present"
-"psoralen quinone","","","","","","","","","","","","","","","","","","","","psoralen quinone","","C1=CC(=O)OC2=C1C(=O)C3=C(C2=O)OC=C3","HKQPXEAYQPNPHV-UHFFFAOYSA-N","68083",NA,"PDBC57057","401268","Present"
-"psorospermin-diol","","","","","","","","","","","","","","","","","","","","psorospermin-diol","","CC(CO)(C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O)O","OKYQPZWHWUYPGE-UHFFFAOYSA-N","353282",NA,"PDBC57058","600964","Present"
-"psorspermin","","","","","","","","","","","","","","","","","","","","psorspermin","","CC1(CO1)C2COC3=CC(=C4C(=C23)OC5=C(C4=O)C=CC=C5O)OC","MHXHBIQQHVEKNK-UHFFFAOYSA-N","429905",NA,"PDBC57059","266491","Present"
-"ptmc","","","","","","","","","","","","","","","","","","","","ptmc","","","","",NA,"PDBC57060","621812","Present"
-"pyran-4-Cl","","","","","","","","","","","","","","","","","","","","pyran-4-Cl","","C1C2=C(C3=C(O1)C=CC(=C3)F)OC(=C(C2C4=CC=C(C=C4)Cl)C#N)N","NUFHOXFUJJNSOS-UHFFFAOYSA-N","2739849",NA,"PDBC57061","729301","Present"
-"pyrane","","","","","","","","","","","","","","","","","","","","pyrane","","COC1=C(C=C(C=C1)C2C3=C(C4=C(CCC3)C=CC(=C4)F)OC(=C2C#N)N)OC","UUNIOFWUJYBVGQ-UHFFFAOYSA-N","24202985",NA,"PDBC57062","726431","Present"
-"pyranopyrazole","","","","","","","","","","","","","","","","","","","","pyranopyrazole","","C1C2C(N(N=C2C3=C(O1)C=CC(=C3)F)C4=CC=CC=C4)F","SKJRTBQZIIGMIE-UHFFFAOYSA-N","24204307",NA,"PDBC57063","731293","Present"
-"pyrazol derivatives","","","","","","","","","","","","","","","","","","","","pyrazol derivatives","","CC1CC2C(N(N=C2C(=CC3=CC(=C(C=C3)OC)OC)C1)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC","PDYDEQMVTASUAN-HAVVHWLPSA-N","24205857",NA,"PDBC57064","737023","Present"
-"pyrethrosin","","","","","","","","","","","","","","","","","","","","pyrethrosin","","CC1=CC(C2C(CC3(C(O3)CC1)C)OC(=O)C2=C)OC(=O)C","JJMLQAVFDJXJAL-VQHVLOKHSA-N","12314793",NA,"PDBC57065","22070","Present"
-"pyrimidoanthrone yellow","","","","","","","","","","","","","","","","","","","","pyrimidoanthrone yellow","","C1=CC=C2C(=C1)C3=NC=NC4=C(C=CC(=C43)C2=O)C(=O)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O","UCANIZWVDIFCHH-UHFFFAOYSA-N","72746",NA,"PDBC57066","299137","Present"
-"pyrrolidin-1-yl[?]ol","","","","","","","","","","","","","","","","","","","","pyrrolidin-1-yl[?]ol","","C1CCC(C2(C(C1)C3=CC=CC=C32)O)N4CCCC4","WTENQFRPWYJQHG-UHFFFAOYSA-N","375501",NA,"PDBC57067","655283","Present"
-"quinaspar","","","","","","","","","","","","","","","","","","","","quinaspar","","C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)N=C(N=C3N)N","RJMVWPJFVJJJLO-UHFFFAOYSA-N","419263",NA,"PDBC57068","112846","Present"
-"rac-2-Methyleneoxy-1-O-octyl-myo-inositol","","","","","","","","","","","","","","","","","","","","rac-2-Methyleneoxy-1-O-octyl-myo-inositol","","CCCCCCCCOC1C(C(C(C(C12CO2)O)O)O)O","ATGBDFLYNQWXPP-UHFFFAOYSA-N","495960",NA,"PDBC57069","674554","Present"
-"rac-diop","","","","","","","","","","","","","","","","","","","","rac-diop","","CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C","VCHDBLPQYJAQSQ-KYJUHHDHSA-N","395120",NA,"PDBC57070","699410","Present"
-"red l","","","","","","","","","","","","","","","","","","","","red l","","C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)O","LEYJJTBJCFGAQN-UHFFFAOYSA-N","22908",NA,"PDBC57071","47723","Present"
-"regid852023","","","","","","","","","","","","","","","","","","","","regid852023","","C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=CS2","YJCQYEFUYHEVTJ-UHFFFAOYSA-N","178054",NA,"PDBC57072","321792","Present"
-"reshimunne","","","","","","","","","","","","","","","","","","","","reshimunne","","","","",NA,"PDBC57073","767593","Present"
-"ro 20-4468/001","","","","","","","","","","","","","","","","","","","","ro 20-4468/001","","C(COC=CC(C(=O)O)N)N","USGUVNUTPWXWBA-HNQUOIGGSA-N","5458447",NA,"PDBC57074","234613","Present"
-"roridin a","","","","","","","","","","","","","","","","","","","","roridin a","","CC1CCOC(C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)COC(=O)C1O)C)CO4)C(C)O","NSFWWJIQIKBZMJ-XRQAJWLNSA-N","12315013",NA,"PDBC57075","200737","Present"
-"roseolic acid","","","","","","","","","","","","","","","","","","","","roseolic acid","","","","",NA,"PDBC57076","55202","Present"
-"rsu 1165","","","","","","","","","","","","","","","","","","","","rsu 1165","","CC1C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)C","VKUQQJFQNDTATQ-JVIMKECRSA-N","6711257",NA,"PDBC57077","601351","Present"
-"rubiflavin","","","","","","","","","","","","","","","","","","","","rubiflavin","","","","",NA,"PDBC57078","105023","Present"
-"s-Triazine,6-diamino-1,2-dihydro-2,2-dimethyl-1-(p-phenethylphenyl)-, monohydrochloride","","","","","","","","","","","","","","","","","","","","s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(p-ph...","","CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC3=CC=CC=C3)N)N)C.Cl","UUDRIDXXSRRWRL-UHFFFAOYSA-N","24191778",NA,"PDBC57079","127753","Present"
-"s-Triazine-2,4-6(1H,3H,5H)trione, 1,3,5-tris(2-hydroxyethyl)-, trimethanesulfonate (ester)","","","","","","","","","","","","","","","","","","","","s-Triazine-2,4-6(1H,3H,5H)trione, 1,3,5-tris(2-hydroxyet...","","CS(=O)(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOS(=O)(=O)C)CCOS(=O)(=O)C","MVHYWAHKVCIALK-UHFFFAOYSA-N","239517",NA,"PDBC57080","44648","Present"
-"s-[(4-Methylphenyl)(diphenyl)methyl]cysteine","","","","","","","","","","","","","","","","","","","","L-Cysteine, S-[(4-methylphenyl)diphenylmethyl]- (9CI)","","CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N","ZPXQDWLBSHVOEI-UHFFFAOYSA-N","275978",NA,"PDBC57081","123139","Present"
-"sanatol lc","","","","","","","","","","","","","","","","","","","","sanatol lc","","COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)OC)Cl","QIHKTBRNOLQDGQ-UHFFFAOYSA-N","77955",NA,"PDBC57082","50688","Present"
-"sapindus saponin a","","","","","","","","","","","","","","","","","","","","sapindus saponin a","","","","",NA,"PDBC57083","325659","Present"
-"sapindus saponin b","","","","","","","","","","","","","","","","","","","","sapindus saponin b","","","","",NA,"PDBC57084","325660","Present"
-"sapindus saponin c","","","","","","","","","","","","","","","","","","","","sapindus saponin c","","","","",NA,"PDBC57085","325661","Present"
-"saponin p","","","","","","","","","","","","","","","","","","","","saponin p","","","","",NA,"PDBC57086","100045","Present"
-"saramycetin","","","","","","","","","","","","","","","","","","","","saramycetin","","","","",NA,"PDBC57087","100844","Present"
-"senecioylchaparrin, 6-alpha- (b815099k220)","","","","","","","","","","","","","","","","","","","","senecioylchaparrin, 6-alpha- (b815099k220)","","CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3OC(=O)C=C(C)C)C(=CC(C5O)O)C)C)O","GHYBVLUUZDLXRW-UHFFFAOYSA-N","434049",NA,"PDBC57088","341651","Present"
-"sibiromycin","","","","","","","","","","","","","","","","","","","","sibiromycin","","CC=CC1=CN2C(C1)C=NC3=C(C(=C(C=C3C2=O)OC4C(C(C(C(O4)C)NC)(C)O)O)C)O","FIZXYSKSWDZADX-YQMKNSBWSA-N","60148375",NA,"PDBC57089","754311","Present"
-"siccanin","","","","","","","","","","","","","","","","","","","","siccanin","","CC1=CC(=C2C3C4C(CCC5C4(CCCC5(C)C)CO3)(OC2=C1)C)O","UGGAILYEBCSZIV-UHFFFAOYSA-N","282001",NA,"PDBC57090","135048","Present"
-"sistomycosin","","","","","","","","","","","","","","","","","","","","sistomycosin","","","","",NA,"PDBC57091","149789","Present"
-"sjl 621","","","","","","","","","","","","","","","","","","","","sjl 621","","CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCNCCN","MVGLWQWRRGYGPC-UHFFFAOYSA-N","380958",NA,"PDBC57092","666753","Present"
-"sodium 8-amino-5-chloro-1,4-dioxo-7-phenyl-3,4-dihydro-1...","","","","","","","","","","","","","","","","","","","","sodium 8-amino-5-chloro-1,4-dioxo-7-phenyl-3,4-dihydro-1...","","","","",NA,"PDBC57093","782302","Present"
-"sodium vanadate","","","","","","","","","","","","","","","","","","","","NSC79535","","","","",NA,"PDBC57094","79535","Present"
-"sphinxolide E","","","","","","","","","","","","","","","","","","","","sphinxolide E","","CC1C=CC(CC(C(C2C(C(=CC(=O)O2)C(C(CC(=CC=CC(=O)OC(C(C=CC(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC(=O)O)OC)OC)C)OC)OC)O)C)OC)OC","RNJIQGIXVCJDJF-UONDBWHXSA-N","5470535",NA,"PDBC57095","702923","Present"
-"sphinxolide F","","","","","","","","","","","","","","","","","","","","sphinxolide F","","CC1C=CC(CC(C(C2C(C(=CC(=O)O2)C(C(CC3(C(O3)C=CC(=O)OC(C(C=CC(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)OC)O)C)OC)OC","PWUYJAGZSLMJTH-BETXLWEESA-N","5470536",NA,"PDBC57096","702924","Present"
-"spiro-1,3-dioxa-4,4-dimethyl-5-carboxy-2,2-diaquo-2-germ...","","","","","","","","","","","","","","","","","","","","spiro-1,3-dioxa-4,4-dimethyl-5-carboxy-2,2-diaquo-2-germ...","","","","",NA,"PDBC57097","648329","Present"
-"spiro-1,3-dioxa-5-carboxy-2,2-diaquo-2-Germfacyclopentane","","","","","","","","","","","","","","","","","","","","spiro-1,3-dioxa-5-carboxy-2,2-diaquo-2-Germfacyclopentane","","","","",NA,"PDBC57098","648328","Present"
-"spiro-1-thia-3-oxa-4-carboxy-2,2-diaquo-2-Germacyclopentane","","","","","","","","","","","","","","","","","","","","spiro-1-thia-3-oxa-4-carboxy-2,2-diaquo-2-Germacyclopentane","","","","",NA,"PDBC57099","648330","Present"
-"sr 13654","","","","","","","","","","","","","","","","","","","","sr 13654","","CCOC(=O)C1=CC2=C(C=C1)NC(=C2C)CC3=C(C4=C(N3)C=CC(=C4)C(=O)OCC)C","IWFCPFKXQUHXBU-UHFFFAOYSA-N","15981429",NA,"PDBC57100","756662","Present"
-"sr16388","","","","","","","","","","","","","","","","","","","","sr16388","","CC1CC2=C(C=CC(=C2)O)C3C1C4CCC(=CCOCCN(C)C)C4(CC3)C.C(C(=O)O)C(CC(=O)O)(CC(=O)O)O","YCKKCNHGMXZJDR-RFVFDIJPSA-N","54612678",NA,"PDBC57101","745098","Present"
-"sri 1370","","","","","","","","","","","","","","","","","","","","sri 1370","","C1=NC2=C(N1)C(=S)N(C=N2)CCSC3=NC=NC4=NC=NC43","CQGCYOVRVCDJGX-UHFFFAOYSA-N","5474076",NA,"PDBC57102","48388","Present"
-"sri 1454","","","","","","","","","","","","","","","","","","","","sri 1454","","CN(C(=O)NC1=CNC(=O)NC1=O)N=O","ZLMJEQGWFPWXSL-UHFFFAOYSA-N","101298",NA,"PDBC57103","406024","Present"
-"sri 2636","","","","","","","","","","","","","","","","","","","","sri 2636","","C1CCC(C(C1)NC(=O)N(CCCl)N=O)Cl","AVQDABCAQFMRFT-YUMQZZPRSA-N","258797",NA,"PDBC57104","88104","Present"
-"sri-013071","","","","","","","","","","","","","","","","","","","","sri-013071","","","","",NA,"PDBC57105","762830","Present"
-"statolon (usan)","","","","","","","","","","","","","","","","","","","","statolon (usan)","","","","",NA,"PDBC57106","71901","Present"
-"stearyl-kprrpytdnytrlrkqzavkkylnsiln","","","","","","","","","","","","","","","","","","","","stearyl-kprrpytdnytrlrkqzavkkylnsiln","","","","",NA,"PDBC57107","705628","Present"
-"sydnone, 3,3'-ethylenedi- (8ci)","","","","","","","","","","","","","","","","","","","","sydnone, 3,3'-ethylenedi- (8ci)","","C1=C(ON=[N+]1CC[N+]2=NOC(=C2)[O-])[O-]","CPVDYGMRFZDUMQ-UHFFFAOYSA-N","574434",NA,"PDBC57108","54671","Present"
-"t-Butyl-oxycarbonyl ethylene diaminoisosampangine","","","","","","","","","","","","","","","","","","","","Tert-butyl N-[2-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]carbamate","","CC(C)(C)OC(=O)NCCNC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","DWDBKAGCMXLHIL-UHFFFAOYSA-N","46854488",NA,"PDBC57109","723394","Present"
-"tallysomycin s10b","","","","","","","","","","","","","","","","","","","","tallysomycin s10b","","CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCCN)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N","MCUABSGWIRKSSZ-UHFFFAOYSA-N","153762",NA,"PDBC57110","304426","Present"
-"tallysomycin s2b","","","","","","","","","","","","","","","","","","","","tallysomycin s2b","","","","",NA,"PDBC57111","304425","Present"
-"tan-2483A","","","","","","","","","","","","","","","","","","","","tan-2483A","","CC=CC1C(C=C2C(O1)C(OC2=O)C)O","UNUOWDGIBRAPFZ-ZHEKDAFDSA-N","9859151",NA,"PDBC57112","726145","Present"
-"tcrs-175","","","","","","","","","","","","","","","","","","","","tcrs-175","","CCOC(=O)C1=C(CCC1C)N","WCURPKFAMHDRAF-UHFFFAOYSA-N","68242658",NA,"PDBC57113","767594","Present"
-"tcrs-176","","","","","","","","","","","","","","","","","","","","tcrs-176","","CC1CCC2=C1C(=O)NC=N2","REDVLNWVZWKQLI-UHFFFAOYSA-N","136406503",NA,"PDBC57114","767595","Present"
-"tcrs-177","","","","","","","","","","","","","","","","","","","","tcrs-177","","CC1CC(C2=C1C(=NC=N2)Cl)OC(=O)C","MGSFTBDRWHRHMG-UHFFFAOYSA-N","87076585",NA,"PDBC57115","767596","Present"
-"tcrs-178","","","","","","","","","","","","","","","","","","","","tcrs-178","","CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C)OC(=O)C","XAUGODHCGVOCDJ-UHFFFAOYSA-N","66618420",NA,"PDBC57116","767597","Present"
-"tert-butyl(m-tolyl)[?]dione","","","","","","","","","","","","","","","","","","","","tert-butyl(m-tolyl)[?]dione","","CC1=CC(=CC=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","MZIUNYWGEPTMOJ-UHFFFAOYSA-N","397886",NA,"PDBC57117","706742","Present"
-"tert-butyl(p-tolyl)[?]dione","","","","","","","","","","","","","","","","","","","","tert-butyl(p-tolyl)[?]dione","","CC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","IDLOLSJOEPVWGJ-UHFFFAOYSA-N","397885",NA,"PDBC57118","706741","Present"
-"tert-butyl-(2,4-dioxochroman-3-ylidene) methylcarbamate","","","","","","","","","","","","","","","","","","","","tert-butyl-(2,4-dioxochroman-3-ylidene) methylcarbamate","","CC(C)(C)OC(=O)N=CC1=C(C2=CC=CC=C2OC1=O)O","MVLUSZNPRFSHMP-LZYBPNLTSA-N","135409213",NA,"PDBC57119","667001","Present"
-"tetrabromo[?]dione","","","","","","","","","","","","","","","","","","","","tetrabromo[?]dione","","C1C2C(C2(Br)Br)CC3=C1C(=O)C4=C(C3=O)CC5C(C4)C5(Br)Br","AQJMKFWRNPYQEH-UHFFFAOYSA-N","367942",NA,"PDBC57120","638146","Present"
-"tetrachloro[?] oxide","","","","","","","","","","","","","","","","","","","","tetrachloro[?] oxide","","C1=C(C2=C3C(=C1Cl)NS(=O)NC3=C(C=C2Cl)Cl)Cl","KTKFXORROXKGRW-UHFFFAOYSA-N","363038",NA,"PDBC57121","627582","Present"
-"tetrafluoro[?]one","","","","","","","","","","","","","","","","","","","","tetrafluoro[?]one","","C1=CC2=C3C(=C1)N=C4N(C3=CC=C2)C(=O)C5=C(C(=C(C(=C5S4)F)F)F)F","FCZWHJVDSRONKF-UHFFFAOYSA-N","383501",NA,"PDBC57122","671886","Present"
-"tetraoxo[?]dione","","","","","","","","","","","","","","","","","","","","tetraoxo[?]dione","","C1C2=C(CC3=C1C(=O)C4=C(C3=O)CC5=C(C4)CS(=O)(=O)C5)CS(=O)(=O)C2","GOCPEQSVMMQQSX-UHFFFAOYSA-N","388215",NA,"PDBC57123","682809","Present"
-"tetraoxo[?]tetrone","","","","","","","","","","","","","","","","","","","","tetraoxo[?]tetrone","","C1CNCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CNCCCN4CCN(CCCNCC(=O)NC5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)NC(=O)CNCCCN7CCN(C1)CC7)CC4","FRFGTGFAXBRHNL-UHFFFAOYSA-N","262184",NA,"PDBC57124","95609","Present"
-"thiadiazine","","","","","","","","","","","","","","","","","","","","thiadiazine","","C1C(=NN2C(=NN=C2S1)C3=CC(=C(C=C3Cl)Cl)F)C4=C(C=C(C=C4)Cl)Cl","CKKCLENDEBQLDM-UHFFFAOYSA-N","24203067",NA,"PDBC57125","726626","Present"
-"thiomorpholino[?]carbonitrile","","","","","","","","","","","","","","","","","","","","thiomorpholino[?]carbonitrile","","C1CCC2(C(C1)C3C2(CC3)C#N)N4CCSCC4","OGGHWFPTMOKFNU-UHFFFAOYSA-N","362134",NA,"PDBC57126","625710","Present"
-"tic10","","","","","","","","","","","","","","","","","","","","tic10","","CC1=CC=CC=C1CN2CC3=C(CCN(C3=O)CC4=CC=CC=C4)N5C2=NCC5","DJNVPMWOJIZWOG-UHFFFAOYSA-N","85090241",NA,"PDBC57127","350625","Present"
-"tm-601","","","","","","","","","","","","","","","","","","","","tm-601","","","","",NA,"PDBC57128","741646","Present"
-"tnf-related apoptosis-inducing ligand","","","","","","","","","","","","","","","","","","","","tnf-related apoptosis-inducing ligand","","","","",NA,"PDBC57129","754277","Present"
-"tomatidin","","","","","","","","","","","","","","","","","","","","tomatidin","","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)NC1","XYNPYHXGMWJBLV-PUHUBZITSA-N","231410",NA,"PDBC57130","27592","Present"
-"tortuosine","","","","","","","","","","","","","","","","","","","","tortuosine","","COC1=CC2=C3C(=C1)C4=CC(=C(C=C4C=[N+]3CC2)OC)OC.[Cl-]","YBWUPYZLRVQSKI-UHFFFAOYSA-M","397928",NA,"PDBC57131","706989","Present"
-"toxin .delta.53l","","","","","","","","","","","","","","","","","","","","toxin .delta.53l","","","","",NA,"PDBC57132","671526","Present"
-"trans-1,2-Bis(3-methylthioureido)cyclohexane","","","","","","","","","","","","","","","","","","","","trans-1,2-bis(3-methylthioureido)cyclohexane","","CNC(=S)NC1CCCCC1NC(=S)NC","CKAAMWWUFKCEPZ-UHFFFAOYSA-N","3004296",NA,"PDBC57133","642969","Present"
-"trans-1,2-Bis(4'-bromophenyl) ethylene","","","","","","","","","","","","","","","","","","","","trans-1,2-Bis(isobutylsulphonyl)-1,2-bis(4'-bromophenyl)...","","CC(C)CS(=O)(=O)C(=C(C1=CC=C(C=C1)Br)S(=O)(=O)CC(C)C)C2=CC=C(C=C2)Br","ONQHMWHNFSNWMO-QURGRASLSA-N","6380572",NA,"PDBC57134","633605","Present"
-"trans-1,2-Bis(n-propylsuphonyl)-1-2-bis(4'-bromophenyl) ethylene","","","","","","","","","","","","","","","","","","","","trans-1,2-Bis(n-propylsuphonyl)-1-2-bis(4'-bromophenyl) ...","","CCCS(=O)(=O)C(=C(C1=CC=C(C=C1)Br)S(=O)(=O)CCC)C2=CC=C(C=C2)Br","KXEIEEQLWSTCTK-FMQUCBEESA-N","6081374",NA,"PDBC57135","633604","Present"
-"trans-1,2-Bis(propylsulfonyl)ethene","","","","","","","","","","","","","","","","","","","","vancide pa","","CCCS(=O)(=O)C=CS(=O)(=O)CCC","YTPMCWYIRHLEGM-FPLPWBNLSA-N","5356922",NA,"PDBC57136","68091","Present"
-"trans-2,6-Diphenyltetrahydropyrone","","","","","","","","","","","","","","","","","","","","Trans-2,6-Diphenyltetrahydropyrone","","C1C(OC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3","CNCKPUJDRCRAJV-IAGOWNOFSA-N","388785",NA,"PDBC57137","683870","Present"
-"trans-2-Ethynyl-cycloheptanol","","","","","","","","","","","","","","","","","","","","trans-2-Ethynyl-cycloheptanol","","C#CC1CCCCCC1O","XHVALGTUZARLIW-IENPIDJESA-N","370803",NA,"PDBC57138","644325","Present"
-"trans-2-Hydroxycyclopentanemethanol","","","","","","","","","","","","","","","","","","","","trans-2-Hydroxycyclopentanemethanol","","C1CC(C(C1)O)CO","UADBLZFWTJHOJC-LWOQYNTDSA-N","364430",NA,"PDBC57139","630690","Present"
-"trans-3,4-Dibenzylaminothiolane 1,1-dioxide","","","","","","","","","","","","","","","","","","","","NSC693431","","C1C(C(CS1(=O)=O)NCC2=CC=CC=C2)NCC3=CC=CC=C3","VBWQFJPGNFMRGR-QZTJIDSGSA-N","392713",NA,"PDBC57140","693431","Present"
-"trans-3-Methylpyrazolium[tetrachlorobis-3-methylpyrazole...","","","","","","","","","","","","","","","","","","","","trans-3-Methylpyrazolium[tetrachlorobis-3-methylpyrazole...","","","","",NA,"PDBC57141","635901","Present"
-"trans-4-Fluoro-4'-(methylthio)chalcone","","","","","","","","","","","","","","","","","","","","NATDHRZXXACUCG-NYYWCZLTSA-","","CSC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)F","NATDHRZXXACUCG-NYYWCZLTSA-N","5377906",NA,"PDBC57142","733155","Present"
-"trans-4-OH CCNU","","","","","","","","","","","","","","","","","","","","cis-4-oh ccnu","","C1CC(CCC1NC(=O)N(CCCl)N=O)O","BTNKSMIZKSHDNT-UHFFFAOYSA-N","92073",NA,"PDBC57143","239724","Present"
-"trans-Bis(acetato)ammineisoquinolineplatinum(II)","","","","","","","","","","","","","","","","","","","","trans-bis(acetato)ammineisoquinolineplatinum(II)","","CC(=O)[O-].CC(=O)[O-].C1=CC=C2C=NC=CC2=C1.[NH2-].[Pt+2]","HRNANLRZBUMKGM-UHFFFAOYSA-L","405451",NA,"PDBC57144","722782","Present"
-"trans-Bis(acetato)amminepyridineplatinum(II)","","","","","","","","","","","","","","","","","","","","trans-bis(acetato)amminepyridineplatinum(II)","","CC(=O)[O-].CC(=O)[O-].C1=CC=NC=C1.[NH2-].[Pt+2]","LXMWWZMSIMWHTF-UHFFFAOYSA-L","405450",NA,"PDBC57145","722781","Present"
-"trans-Bis(acetato)bis(thiazole)platinum(II)","","","","","","","","","","","","","","","","","","","","trans-bis(acetato)bis(thiazole)platinum(II)","","CC(=O)[O-].CC(=O)[O-].C1=CSC=N1.C1=CSC=N1.[Pt+2]","ALZJXHAAUDQQBQ-UHFFFAOYSA-L","405449",NA,"PDBC57146","722780","Present"
-"trans-Bis(ethylendiamine)dithiocyanatocobalt(III)thiocya...","","","","","","","","","","","","","","","","","","","","trans-Bis(ethylendiamine)dithiocyanatocobalt(III)thiocya...","","","","",NA,"PDBC57147","630632","Present"
-"trans-Bis(ethylenediamine)dichloroosmium(III)chloride- h...","","","","","","","","","","","","","","","","","","","","trans-Bis(ethylenediamine)dichloroosmium(III)chloride- h...","","","","",NA,"PDBC57148","632556","Present"
-"trans-Bis(propane-1,2-diamine)dichloroosmium(IV)chloride...","","","","","","","","","","","","","","","","","","","","trans-Bis(propane-1,2-diamine)dichloroosmium(IV)chloride...","","","","",NA,"PDBC57149","632563","Present"
-"trans-Bis(propane-1,2-diamine)dioxoosmium(VI)chloride","","","","","","","","","","","","","","","","","","","","trans-Bis(propane-1,2-diamine)dioxoosmium(VI)chloride","","CC(CN)N.CC(CN)N.O=[Os+2]=O.[Cl-]","HOWILJFSVCYUJG-UHFFFAOYSA-M","24202191",NA,"PDBC57150","632562","Present"
-"trans-Bisethylendiaminedioxoosmium(VI)chloride","","","","","","","","","","","","","","","","","","","","trans-Bisethylendiaminedioxoosmium(VI)chloride","","C(CN)N.C(CN)N.O=[Os+2]=O.[Cl-]","LOFLZLNARSGYAV-UHFFFAOYSA-M","24201962",NA,"PDBC57151","632558","Present"
-"trans-Dichloro-cis-dichlorobis(1-ethylimidazole)- platin...","","","","","","","","","","","","","","","","","","","","trans-Dichloro-cis-dichlorobis(1-ethylimidazole)- platin...","","","","",NA,"PDBC57152","647620","Present"
-"trans-Dichlorobis(2,4-pentandionato)osmium(VI)","","","","","","","","","","","","","","","","","","","","trans-Dichlorobis(2,4-pentandionato)osmium(VI)","","","","",NA,"PDBC57153","632560","Present"
-"trans-Dichlorobis(cyclohexane-1,2-diamine)cobalt(III) ch...","","","","","","","","","","","","","","","","","","","","trans-Dichlorobis(cyclohexane-1,2-diamine)cobalt(III) ch...","","","","",NA,"PDBC57154","632568","Present"
-"trans-Dichlorobis(ethylendiamine)cobalt(III)thiocyanate","","","","","","","","","","","","","","","","","","","","trans-Dichlorobis(ethylendiamine)cobalt(III)thiocyanate","","","","",NA,"PDBC57155","630631","Present"
-"trans-Indazolium-tetrachlorobis(indazole)ruthenate(III)","","","","","","","","","","","","","","","","","","","","trans-Indazolium-tetrachlorobis(indazole)ruthenate(III)","","","","",NA,"PDBC57156","666158","Present"
-"trans-N(6'-Chrysenyl)-3-acetoxy-4-phenyl-2-azetidinone","","","","","","","","","","","","","","","","","","","","trans-N(6'-Chrysenyl)-3-acetoxy-4-phenyl-2-azetidinone","","CC(=O)OC1C(N(C1=O)C2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)C6=CC=CC=C6","ODHJRSPLOFJCKF-VSGBNLITSA-N","404329",NA,"PDBC57157","720528","Present"
-"trans-N-(6-Chrysenyl)-3-mesyloxy-4-phenyl-2-azetidinone","","","","","","","","","","","","","","","","","","","","trans-N-(6-chrysenyl)-3-mesyloxy-4-phenyl-2-azetidinone","","CS(=O)(=O)OC1C(N(C1=O)C2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)C6=CC=CC=C6","LIXJMPNUXCZYFE-KAYWLYCHSA-N","24203669",NA,"PDBC57158","729109","Present"
-"trans-N-Hydroxy-4-acetylaminostilbene","","","","","","","","","","","","","","","","","","","","N-(p-Styrylphenyl)acetohydroxamic acid","","CC(=O)N(C1=CC=C(C=C1)C=CC2=CC=CC=C2)O","RWXNJPBIVZZSQA-BQYQJAHWSA-N","6054491",NA,"PDBC57159","83219","Present"
-"trans-N-[4-(4-Chlorophenylaminomethyl)cyclohexylmethyl]-biph enyl-4-sulfonamide","","","","","","","","","","","","","","","","","","","","Trans-N-[4-(4-Chlorophenylaminomethyl)cyclohexylmethyl]-...","","C1CC(CCC1CNC2=CC=C(C=C2)Cl)CNS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4","YISVZYGKPDVVTF-UHFFFAOYSA-N","24204376",NA,"PDBC57160","731620","Present"
-"trans-N-{4-(3,4-Dimetoxiphenyl-4-aminocarbonyl)cyclohexylmet hyl}benzene sulfonamide.","","","","","","","","","","","","","","","","","","","","Trans-N-{4-(3,4-dimetoxiphenyl-4-aminocarbonyl)cyclohexy...","","COC1=C(C=C(C=C1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3)OC","AYBMHGXFBDWJKE-UHFFFAOYSA-N","24205195",NA,"PDBC57161","734529","Present"
-"trans-N-{4-[N'-(4-Chlorophenyl)hydrazinocarbonyl]cyclohexylm ethyl}-2-chlorobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","Trans-N-{4-[N'-(4-chlorophenyl)hydrazinocarbonyl]cyclohe...","","C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2Cl)C(=O)NNC3=CC=C(C=C3)Cl","BDGJZYZTLCONOI-UHFFFAOYSA-N","24204371",NA,"PDBC57162","731615","Present"
-"trans-N-{4-[N'-(4-Fluorophenyl)hydrazinocarbonyl]cyclohexylm ethyl}-3,4-dichlorobenzenesulfonamide","","","","","","","","","","","","","","","","","","","","Trans-N-{4-[N'-(4-fluorophenyl)hydrazinocarbonyl]cyclohe...","","C1CC(CCC1CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NNC3=CC=C(C=C3)F","IXYDQLZVUTXAFC-UHFFFAOYSA-N","24204377",NA,"PDBC57163","731621","Present"
-"trans-Trikentrin B","","","","","","","","","","","","","","","","","","","","trans-Trikentrin B","","CCC=CC1=C2C(CC(C2=C3C(=C1)C=CN3)C)C","LCPXZNXUNXCSGA-CTIHDASJSA-N","5387644",NA,"PDBC57164","625522","Present"
-"trans-[Aquabis(2,2'-bipyridyl)chloroneodymium(III) -dich...","","","","","","","","","","","","","","","","","","","","trans-[Aquabis(2,2'-bipyridyl)chloroneodymium(III) -dich...","","","","",NA,"PDBC57165","632728","Present"
-"trans-[Aquabis(2,2'-bipyridyle)chlorocerium(III)-dichloride","","","","","","","","","","","","","","","","","","","","trans-[Aquabis(2,2'-bipyridyle)chlorocerium(III)-dichloride","","","","",NA,"PDBC57166","632732","Present"
-"trans-[Aquachlorbis(1,10-phenanthroline)lanthanum(III)] ...","","","","","","","","","","","","","","","","","","","","trans-[Aquachlorbis(1,10-phenanthroline)lanthanum(III)] ...","","","","",NA,"PDBC57167","632738","Present"
-"trans-[Aquachlorobis(1,10-phenanthroline) neodymium(III)...","","","","","","","","","","","","","","","","","","","","trans-[Aquachlorobis(1,10-phenanthroline) neodymium(III)...","","","","",NA,"PDBC57168","632731","Present"
-"trans-[Aquachlorobis(1,10-phenanthroline)cerium(III) -di...","","","","","","","","","","","","","","","","","","","","trans-[Aquachlorobis(1,10-phenanthroline)cerium(III) -di...","","","","",NA,"PDBC57169","632735","Present"
-"trans-[Bis-2,2'-bipyridinedioxoruthenium(VI)]-perchlorate-hydrate","","","","","","","","","","","","","","","","","","","","trans-[Bis-2,2'-bipyridinedioxoruthenium(VI)]- perchlora...","","C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[O-]Cl(=O)(=O)=O.O=[Ru]=O","IWIJUKYJDICEHX-UHFFFAOYSA-M","24202183",NA,"PDBC57170","631481","Present"
-"trans-p-Menth-6-ene-2,8-diol","","","","","","","","","","","","","","","","","","","","Sobrerol","","CC1=CCC(CC1O)C(C)(C)O","OMDMTHRBGUBUCO-VEDVMXKPSA-N","369311",NA,"PDBC57171","641065","Present"
-"tribromo(methyl)[?]","","","","","","","","","","","","","","","","","","","","tribromo(methyl)[?]","","CC12C3=C4C=C(C=C3OC5=CC(=CC(=C51)OC6=C2C(=CC(=C6)Br)O4)Br)Br","MTZXICHUJJELGG-UHFFFAOYSA-N","393370",NA,"PDBC57172","695178","Present"
-"trimethyldispiro[[?]]","","","","","","","","","","","","","","","","","","","","trimethyldispiro[[?]]","","CC1CCC2(CC1)C3CC(CCC3=NC4(N2)CCC(CC4)C)C","SNCVDKMWIGLGTO-UHFFFAOYSA-N","379436",NA,"PDBC57173","663982","Present"
-"triostin a","","","","","","","","","","","","","","","","","","","","triostin a","","CC1C(=O)N(C2CSSCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C","GULVULFEAVZHHC-UHFFFAOYSA-N","316447",NA,"PDBC57174","244425","Present"
-"triphenyl[?]dione","","","","","","","","","","","","","","","","","","","","triphenyl[?]dione","","C1=CC=C(C=C1)C23C4C(C(=O)N(C4=O)C5=CC=CC=C5)C(O2)(C6=CC=CC=C36)C7=CC=CC=C7","KWMPZTMQZIIVKU-UHFFFAOYSA-N","363013",NA,"PDBC57175","627552","Present"
-"triphenyl[?]tetrone","","","","","","","","","","","","","","","","","","","","triphenyl[?]tetrone","","C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=CC=C8)C(=O)N(C6=O)C9=CC=CC=C9","HDECCIGJLYSZPJ-UHFFFAOYSA-N","363328",NA,"PDBC57176","628185","Present"
-"triplex metallohelix HS142","","","","","","","","","","","","","","","","","","","","triplex metallohelix HS142","","","","",NA,"PDBC57177","796343","Present"
-"triplex metallohelix HS224","","","","","","","","","","","","","","","","","","","","triplex metallohelix HS224","","","","",NA,"PDBC57178","796342","Present"
-"tris(2-furyl)-oxo-[?]dicarbonitrile","","","","","","","","","","","","","","","","","","","","tris(2-furyl)-oxo-[?]dicarbonitrile","","C1CCC2=C(C1)C3(C(=O)N4C(NC(N=C4C3(C(N2)C5=CC=CO5)C#N)C6=CC=CO6)C7=CC=CO7)C#N","SJCMULPQDSQJCF-UHFFFAOYSA-N","394327",NA,"PDBC57179","697696","Present"
-"tropolone, 4-chloro-6,7-dimethoxy-","","","","","","","","","","","","","","","","","","","","tropolone, 4-chloro-6,7-dimethoxy-","","COC1=CC(=CC(=O)C(=C1OC)O)Cl","AYKRMZIQYCEBJN-UHFFFAOYSA-N","373247",NA,"PDBC57180","649311","Present"
-"trypan red","","","","","","","","","","","","","","","","","","","","trypan red","","C1=CC(=CC=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)O)S(=O)(=O)O","CWWJGMXENHLBBV-UHFFFAOYSA-N","73032",NA,"PDBC57181","11243","Present"
-"tryptamine sulfonamide, 37a","","","","","","","","","","","","","","","","","","","","tryptamine sulfonamide, 37a","","CC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC","WIWFZAFGANEVLX-UHFFFAOYSA-N","363314",NA,"PDBC57182","628134","Present"
-"tx-045816","","","","","","","","","","","","","","","","","","","","tx-045816","","C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O","JCXWFZRDEFLLDH-UHFFFAOYSA-N","348092",NA,"PDBC57183","407135","Present"
-"tx262","","","","","","","","","","","","","","","","","","","","tx262","","CS(=O)(=O)OC1C(N(C1=O)C2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)C6=CC=CC=N6","LLBQPYBZHNVHLM-CLJLJLNGSA-N","71551515",NA,"PDBC57184","777574","Present"
-"u 10520a","","","","","","","","","","","","","","","","","","","","u 10520a","","CCN(CC)CCOC1=CC=C(C=C1)C2=C(CCC3=C2C=CC(=C3)OC)C4=CC=CC=C4.Cl","OCBYPUOOURACHR-UHFFFAOYSA-N","200229",NA,"PDBC57185","70732","Present"
-"u-Oxo-dichlorotetrakis(1-phenylbutane-1,3-dionato)ditita...","","","","","","","","","","","","","","","","","","","","u-Oxo-dichlorotetrakis(1-phenylbutane-1,3-dionato)ditita...","","","","",NA,"PDBC57186","638745","Present"
-"uracil, 1-(1-adamantylcarboxamido)-5-fluoro-","","","","","","","","","","","","","","","","","","","","uracil, 1-(1-adamantylcarboxamido)-5-fluoro-","","C1C2CC3CC1CC(C2)(C3)C(=O)NN4C=C(C(=O)NC4=O)F","PDKDCUWYURDJIJ-UHFFFAOYSA-N","387541",NA,"PDBC57187","681451","Present"
-"variamycin SA","","","","","","","","","","","","","","","","","","","","variamycin SA","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O","MKWGCJHAKUGJFW-ZQLAVUBWSA-N","155810540",NA,"PDBC57188","782395","Present"
-"variamycin SDK","","","","","","","","","","","","","","","","","","","","variamycin SDK","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(=O)C)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O","KFUFVQHVACJVSE-RSONUFKPSA-N","155815670",NA,"PDBC57189","782393","Present"
-"variamycin SK","","","","","","","","","","","","","","","","","","","","variamycin SK","","CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(C(=O)C)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O","BYRUSBJZFJEJLW-ADFDXATNSA-N","155808704",NA,"PDBC57190","782392","Present"
-"viridomycin","","","","","","","","","","","","","","","","","","","","viridomycin","","CC12C=CC=CC=CC=CC(=O)NC(C=CC=CC=CC=CC(OC(=O)C1=C(C(C2O)OC)O)(C)O)C3=CC=CC=C3","HVEDUANUPUFIBT-KWCYCYFSSA-N","54720824",NA,"PDBC57191","236657","Present"
-"vittatine","","","","","","","","","","","","","","","","","","","","vittatine","","C1CN2CC3=CC4=C(C=C3C15C2CC(C=C5)O)OCO4","RPAORVSEYNOMBR-LYRGGWFBSA-N","398938",NA,"PDBC57192","709253","Present"
-"wa007-00","","","","","","","","","","","","","","","","","","","","wa007-00","","CN1C2=CC=CC=C2C3=C1N=C(N=N3)NNCC4=CC=CC=N4.Cl","MYXLKMPLCKDCEX-UHFFFAOYSA-N","54613170",NA,"PDBC57193","751286","Present"
-"win 20226","","","","","","","","","","","","","","","","","","","","win 20226","","CCN(CC)CC(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]","GSOJJHJLNPCZCN-UHFFFAOYSA-M","24186469",NA,"PDBC57194","51146","Present"
-"win 4057","","","","","","","","","","","","","","","","","","","","win 4057","","CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]","IQLKCOBJHPAVHO-UHFFFAOYSA-M","24185157",NA,"PDBC57195","38111","Present"
-"wln: &g","","","","","","","","","","","","","","","","","","","","wln: &g","","CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC=CC=C5C6=C7C=CC(=CC7=[O+]C8=C6C=CC(=C8)N(CC)CC)N(CC)CC)C=C3O2.[Cl-]","UYQVPCFMVWEDCA-UHFFFAOYSA-M","73372",NA,"PDBC57196","326193","Present"
-"wln: 16sym2&un2 &ih","","","","","","","","","","","","","","","","","","","","wln: 16sym2&un2 &ih","","CCCCCCCCCCCCCCCCSC(=NCC)NCC.I","JOANHRCWWUJBAQ-UHFFFAOYSA-N","79276",NA,"PDBC57197","3523","Present"
-"wln: 1vo-hg-r b1 c1 e1 f1","","","","","","","","","","","","","","","","","","","","wln: 1vo-hg-r b1 c1 e1 f1","","CC1=CC(=C(C(=C1C)[Hg]OC(=O)C)C)C","HWRVQNMGKGGEAO-UHFFFAOYSA-M","16683022",NA,"PDBC57198","174177","Present"
-"wln: gr dmyus&mvr","","","","","","","","","","","","","","","","","","","","wln: gr dmyus&mvr","","C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)Cl","IZEIGTLVMJBUQC-UHFFFAOYSA-N","701011",NA,"PDBC57199","5816","Present"
-"wln: l5yj auygvm2n2&2 bg cg dg eg","","","","","","","","","","","","","","","","","","","","wln: l5yj auygvm2n2&2 bg cg dg eg","","CCN(CC)CCNC(=O)C(=C1C(=C(C(=C1Cl)Cl)Cl)Cl)Cl","LPAJESSSQHVIDM-UHFFFAOYSA-N","22694",NA,"PDBC57200","7419","Present"
-"wln: t56 bnonj fnw in2q2q xo","","","","","","","","","","","","","","","","","","","","wln: t56 bnonj fnw in2q2q xo","","C1=C(C2=[N+](ON=C2C(=C1)[N+](=O)[O-])[O-])N(CCO)CCO","TXBLXYIFRHQOPU-UHFFFAOYSA-N","313582",NA,"PDBC57201","228109","Present"
-"wln: t56 bnysj b1mr bvq& cus","","","","","","","","","","","","","","","","","","","","wln: t56 bnysj b1mr bvq& cus","","C1=CC=C(C(=C1)C(=O)O)NCN2C3=CC=CC=C3SC2=S","VDHLXPKGMXLEFH-UHFFFAOYSA-N","96686",NA,"PDBC57202","86153","Present"
-"wln: t56 bswnvj c2k2&2&1 &i","","","","","","","","","","","","","","","","","","","","wln: t56 bswnvj c2k2&2&1 &i","","CC[N+](C)(CC)CCN1C(=O)C2=CC=CC=C2S1(=O)=O.[I-]","BDXJQEUFJHHYFP-UHFFFAOYSA-M","3056264",NA,"PDBC57203","45126","Present"
-"wln: t5nvnv ehj ag cg er dg& er dg","","","","","","","","","","","","","","","","","","","","wln: t5nvnv ehj ag cg er dg& er dg","","C1=CC(=CC=C1C2(C(=O)N(C(=O)N2Cl)Cl)C3=CC=C(C=C3)Cl)Cl","MGXFKWORWDCDPR-UHFFFAOYSA-N","41479",NA,"PDBC57204","23306","Present"
-"wln: t66 bnj iyr&mr bvq& jq","","","","","","","","","","","","","","","","","","","","wln: t66 bnj iyr&mr bvq& jq","","C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=C4C(=O)O","NISNWVZYKYOKOX-UHFFFAOYSA-N","95307",NA,"PDBC57205","1012","Present"
-"wln: t6n cnj bmyum&mr dg& dq f1","","","","","","","","","","","","","","","","","","","","wln: t6n cnj bmyum&mr dg& dq f1","","CC1=CC(=O)NC(=N1)N=C(N)NC2=CC=C(C=C2)Cl","NBQWRVCOQQZQCH-UHFFFAOYSA-N","135408788",NA,"PDBC57206","13359","Present"
-"x 49","","","","","","","","","","","","","","","","","","","","x 49","","CC1(N=C(N=C(N1C2=CC(=CC=C2)Br)N)N)C.Cl","SHMKWWHGYGMNLQ-UHFFFAOYSA-N","24180955",NA,"PDBC57207","3082","Present"
-"xk 1012","","","","","","","","","","","","","","","","","","","","xk 1012","","C1=CN(C2=C1C(=O)NC=N2)C3C(C(C(O3)CO)O)O","DPRSKJHWKNHBOW-UHFFFAOYSA-N","135454041",NA,"PDBC57208","99439","Present"
-"zinostatin","","","","","","","","","","","","","","","","","","","","zinostatin","","","","",NA,"PDBC57209","69856","Present"
-"zlchem 729","","","","","","","","","","","","","","","","","","","","zlchem 729","","C1(=O)C(=S)NNC(=O)N1.[Na+]","JPRSVSYWNNTVKO-UHFFFAOYSA-N","5351949",NA,"PDBC57210","107684","Present"
-"zorbamycin, dihydrochloride","","","","","","","","","","","","","","","","","","","","zorbamycin, dihydrochloride","","","","",NA,"PDBC57211","146208","Present"
-"{(1E)-2-[4-(Methylethyl)phenyl]-1-azavinyl}aminocarboxamidine","","","","","","","","","","","","","","","","","","","","2-[(E)-(4-Propan-2-ylphenyl)methylideneamino]guanidine","","CC(C)C1=CC=C(C=C1)C=NN=C(N)N","UYZCPSADODKMEY-VGOFMYFVSA-N","9559786",NA,"PDBC57212","65813","Present"
-"{(2R,5S)-5-[5-[Cyclohexyl(methyl)amino]-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}methyl 4-methylbenzoate","","","","","","","","","","","","","","","","","","","","[(2R,5S)-5-[5-[Cyclohexyl(methyl)amino]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate","","CC1=CC=C(C=C1)C(=O)OCC2CCC(O2)N3C=C(C(=O)NC3=O)N(C)C4CCCCC4","SCHMNKOTJDIBKS-CTNGQTDRSA-N","383726",NA,"PDBC57213","672155","Present"
-"{1-[(2'-Hydroxy-3'-(2-nitroimidazolyl)-propyl]-2-methyl-5-nitroimi} dazole","","","","","","","","","","","","","","","","","","","","1-[(2'-hydroxy-3'-(2""""-nitroimidazolyl)-propyl]-2-methyl-...","","CC1=NC=C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)[N+](=O)[O-]","TYBQUHKTUFJRPR-UHFFFAOYSA-N","371293",NA,"PDBC57214","645368","Present"
-"{1-[(3-Chlorophenyl)methyl]-1H-indol-3-yl}methanol","","","","","","","","","","","","","","","","","","","","1H-Indole-3-methanol, 1-[(3-chlorophenyl)methyl]-","","C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)CO","LPIARNOLFFSUSO-UHFFFAOYSA-N","13288729",NA,"PDBC57215","743380","Present"
-"{1-[2-Chloroanilinomalonyl]-3,5-dimethyl-4-[2-chlorophenylazo]} pyrazole","","","","","","","","","","","","","","","","","","","","1-[2-Chloroanilinomalonyl]-3,5-dimethyl-4-[2-chloropheny...","","CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2Cl)C)N=NC3=CC=CC=C3Cl","JJTCLHXKNKKSLE-UHFFFAOYSA-N","364234",NA,"PDBC57216","630108","Present"
-"{1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-chlorophenylazo]} pyrazole","","","","","","","","","","","","","","","","","","","","1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-chlorophen...","","CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2OC)C)N=NC3=CC=CC=C3Cl","GNPBGPJMZIFDTK-UHFFFAOYSA-N","364236",NA,"PDBC57217","630110","Present"
-"{1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-fluorophenylazo]} pyrazole","","","","","","","","","","","","","","","","","","","","1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-fluorophen...","","CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2OC)C)N=NC3=CC=CC=C3F","YVURVOGOMDAWGV-UHFFFAOYSA-N","364233",NA,"PDBC57218","630107","Present"
-"{11H-1,2,4-Triazolo[4',3':2,3]pyridazino[4,5-b]indole,} 8-methoxy-","","","","","","","","","","","","","","","","","","","","11H-1,2,4-Triazolo[4',3':2,3]pyridazino[4,5-b]indole, 8-...","","COC1=CC2=C(C=C1)NC3=C2C=NN4C3=NN=C4","RKPUFYRAGXHCML-UHFFFAOYSA-N","135429957",NA,"PDBC57219","626421","Present"
-"{2,2-Ethanediylbis(iminomethyl)]diphenolato} dioxouranium(VI)-hydrate","","","","","","","","","","","","","","","","","","","","{2,2'-[1,2-Ethanediylbis(iminomethyl)]diphenolato} dioxo...","","C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2[O-])[O-].O=[U+2]=O","JPCANOSANPQSNL-UHFFFAOYSA-L","368294",NA,"PDBC57220","638838","Present"
-"{2-(3-Phenylpropyl)-naphtho[1,8-de]-1,3-dithiin}","","","","","","","","","","","","","","","","","","","","2-(3-Phenylpropyl)-naphtho[1,8-de]-1,3-dithiin","","C1=CC=C(C=C1)CCCC2SC3=CC=CC4=C3C(=CC=C4)S2","UNRKMWMTRKEJDS-UHFFFAOYSA-N","370920",NA,"PDBC57221","644726","Present"
-"{3-[(4-Benzyloxycarbonylamino-butyl)-tert-butoxycarbonyl-amino]-propyl}-carbamic acid benzyl ester","","","","","","","","","","","","","","","","","","","","{3-[(4-Benzyloxycarbonylamino-butyl)-tert-butoxycarbonyl-amino]-propyl}-carbamic acid benzyl ester","","CC(C)(C)OC(=O)N(CCCCNC(=O)OCC1=CC=CC=C1)CCCNC(=O)OCC2=CC=CC=C2","JKQPWVHFTYCDEA-UHFFFAOYSA-N","389618",NA,"PDBC57222","685964","Present"
-"{4-Methyl-[2,2'-dichlorodiquinolino{4,3-b:3',4'-e}]-4H-pyran}","","","","","","","","","","","","","","","","","","","","4-Methyl-[2,2'-dichlorodiquinolino{4,3-b:3',4'-e}]-4H-pyran","","CC1C2=C(C3=CC=CC=C3N=C2Cl)OC4=C1C(=NC5=CC=CC=C54)Cl","ZJSYSJIRDCESCH-UHFFFAOYSA-N","371896",NA,"PDBC57223","646479","Present"
-"{4-[(1E)-2-(3-Methyl-1-phenylpyrazol-5-yl)-2-azavinyl]phenyl}dimethylamine","","","","","","","","","","","","","","","","","","","","N,N-Dimethyl-4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]aniline","","CC1=NN(C(=C1)N=CC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3","FPYFASSPUICUGK-XSFVSMFZSA-N","9572411",NA,"PDBC57224","715227","Present"
-"{4-[(4-Chlorophenyl)amino]-2-hydroxy-6-methylpyrimidin-5-yl}[4-(2-hydroxyethyl)piperazin-1-yl]methanone","","","","","","","","","","","","","","","","","","","","{4-[(4-Chlorophenyl)amino]-2-hydroxy-6-methylpyrimidin-5...","","CC1=C(C(=NC(=O)N1)NC2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)CCO","GLCAKEJWOFVLPQ-UHFFFAOYSA-N","354933",NA,"PDBC57225","607650","Present"
-"{5-[2-Amino-6-(2-furyl)pyrimidin-4-yl]-2-furyl}methanol","","","","","","","","","","","","","","","","","","","","{5-[2-Amino-6-(2-furyl)pyrimidin-4-yl]-2-furyl}methanol","","C1=COC(=C1)C2=CC(=NC(=N2)N)C3=CC=C(O3)CO","PJSHZJHVEAEAGU-UHFFFAOYSA-N","376142",NA,"PDBC57226","656635","Present"
-"{6-(3-Amino-1-propyl)-5,3-dimethoxy-8,9-methylen edioxy-5,11-dioxo-11H-indeno[1,2-c]-isoquinoline}-{5',6'-Dih ydro-6'-(3'-amino-1'-propyl)-5',11'-dioxo-11'H-indeno[1,2-c]-isoquinoline}propane Bis(trifluoroacetate)","","","","","","","","","","","","","","","","","","","","{6-(3-Amino-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9-meth...","","COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCCN6C7=C(C8=CC=CC=C8C6=O)C(=O)C9=CC=CC=C97)OC.C(=O)(C(F)(F)F)O","IBSYNDGWYPIQFC-UHFFFAOYSA-N","45027879",NA,"PDBC57227","730632","Present"
-"{6-(3-Tert-Butyloxycarbonylamino-1-propyl)-5,3-d imethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoq uinoline}-{5',6'-Dihydro-6'-(3'-tert-butyloxycarbonylamino-1'-propyl)-5',11'-dioxo-11'H-indeno[1,2-c]isoquinoline}propan e","","","","","","","","","","","","","","","","","","","","{6-(3-tert-Butyloxycarbonylamino-1-propyl)-5,6-dihydro-2...","","CC(C)(C)OC(=O)N(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)CCCN(CCCN5C6=C(C7=CC(=C(C=C7C5=O)OC)OC)C(=O)C8=CC9=C(C=C86)OCO9)C(=O)OC(C)(C)C","KTPJGZZJWIFJCZ-UHFFFAOYSA-N","11849828",NA,"PDBC57228","730629","Present"
-"{6-[3-(5-Ethoxycarbonylaminocarbonyl-3-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl)-propoxycarbonylamino]-hexyl}-carbamic acid 3-(5-ethoxycarbonylaminocarbonyl-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propyl ester","","","","","","","","","","","","","","","","","","","","3-[5-(Ethoxycarbonylcarbamoyl)-3-methyl-2,6-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate","","CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)CCCOC(=O)NCCCCCCNC(=O)OCCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC)C","GGVDTUDSBAVDPA-UHFFFAOYSA-N","367725",NA,"PDBC57229","637662","Present"
-"{Allylcarbamoylmethyl-[2-(bis-carboxymethyl-amino)-cyclohexyl]-amino}-acetic acid","","","","","","","","","","","","","","","","","","","","{Allylcarbamoylmethyl-[2-(bis-carboxymethyl-amino)-cyclohexyl]-amino}-acetic acid","","C=CCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O","GWNSLWNJAOEULA-UHFFFAOYSA-N","384576",NA,"PDBC57230","674590","Present"
-"{Allylcarbamoylmethyl-[2-(bis-methoxycarbonylmethyl-amino)-cyclohexyl]-amino}-acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-(allylamino)-2-oxo-ethyl]-[2-[bis(2-methoxy-2-oxo-ethyl)amino]cyclohexyl]amino]acetate","","COC(=O)CN(CC(=O)NCC=C)C1CCCCC1N(CC(=O)OC)CC(=O)OC","AKVYEQBKXBJVAE-UHFFFAOYSA-N","384596",NA,"PDBC57231","674608","Present"
-"{N-(Methyl)-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-} 4-(2-nitroimidazol-1H-yl)butanaimde","","","","","","","","","","","","","","","","","","","","N-(Methyl)-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]- ...","","CC1=NC=C(N1CCN(C)C(=O)CCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","FBMWWDHYRARXMS-UHFFFAOYSA-N","375691",NA,"PDBC57232","655549","Present"
-"{N-Methyl-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-4-(2-nitroimi} dazol-1H-yl)butylamine","","","","","","","","","","","","","","","","","","","","N-methyl-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-4-(...","","CC1=NC=C(N1CCN(C)CCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","HLRJFQUADYAGLF-UHFFFAOYSA-N","379486",NA,"PDBC57233","664149","Present"
-"{[(2-Amino-ethylcarbamoyl)-methyl]-[2-(bis-carboxymethyl-amino)-cyclohexyl]-amino}-acetic acid","","","","","","","","","","","","","","","","","","","","({2-[(2-Aminoethyl)amino]-2-oxoethyl}{2-[bis(carboxymethyl)amino]cyclohexyl}amino)acetic acid","","C1CCC(C(C1)N(CC(=O)NCCN)CC(=O)O)N(CC(=O)O)CC(=O)O","NXDGOVLMLAOEFZ-UHFFFAOYSA-N","384588",NA,"PDBC57234","674601","Present"
-"{[1-(2,5-Dimethoxyphenyl)ethylidene]amino}thiourea","","","","","","","","","","","","","","","","","","","","NSC622699","","CC(=NNC(=S)N)C1=C(C=CC(=C1)OC)OC","QDJNJDXOXZINPT-NTUHNPAUSA-N","5464907",NA,"PDBC57235","622699","Present"
-"{[2-(Bis-methoxycarbonylmethyl-amino)-cyclohexyl]-[(3-bromo-propylcarbamoyl)-methyl]-amino}-acetic acid methyl ester","","","","","","","","","","","","","","","","","","","","Methyl 2-[[2-[bis(2-methoxy-2-oxoethyl)amino]cyclohexyl]-[2-(3-bromopropylamino)-2-oxoethyl]amino]acetate","","COC(=O)CN(CC(=O)NCCCBr)C1CCCCC1N(CC(=O)OC)CC(=O)OC","FBUCXDSCOIEFJY-UHFFFAOYSA-N","384578",NA,"PDBC57236","674592","Present"
-"{[2-({[4-Amino-6-(5-methyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino}sulfonyl)-5-chloro-4-methylphenyl]thio}acetic acid","","","","","","","","","","","","","","","","","","","","2-[2-[[4-Amino-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methylphenyl]sulfanylacetic acid","","CC1CC=NN1C2=NC(=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)SCC(=O)O)N","BSQXMHXNJIAHEO-UHFFFAOYSA-N","378491",NA,"PDBC57237","661091","Present"
-"{[2-({[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino}sulfonyl)-5-chloro-4-methylphenyl]thio}(phenyl)acetic acid","","","","","","","","","","","","","","","","","","","","2-[2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methylphenyl]sulfanyl-2-phenylacetic acid","","CC1=CC(=C(C=C1Cl)SC(C2=CC=CC=C2)C(=O)O)S(=O)(=O)NC3=NC(=NC(=N3)N)N(C)C","DIEODVBPTSOULE-UHFFFAOYSA-N","378488",NA,"PDBC57238","661088","Present"
-"{[2-({[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino}sulfonyl)-5-chloro-4-methylphenyl]thio}acetic acid","","","","","","","","","","","","","","","","","","","","2-[2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methylphenyl]sulfanylacetic acid","","CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NC(=NC(=N2)N)N(C)C","UYBJQMWOCWMWQV-UHFFFAOYSA-N","378486",NA,"PDBC57239","661086","Present"
-"{[3-(Acetylamino)-4-nitrosophenyl]imino}diethane-2,1-diyl dimethanesulfonate","","","","","","","","","","","","","","","","","","","","Acetamide, N-[5-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]...","","CC(=O)NC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=O","CYOBZKAYXWZEHU-UHFFFAOYSA-N","266514",NA,"PDBC57240","104964","Present"
+"","unique.drugid","CGP.drugid","CCLE.drugid","GSK.drugid","GRAY.drugid","GNE.drugid","CTRP.drugid","CMAP.drugid","CTRPv2.drugid","gCSI.drugid","UHNBreast.drugid","MERCK.drugid","GDSC1000.drugid","NCIALM.drugid","YALE_TNBC.drugid","GDSC2019.drugid","FIMM.drugid","BeatAML.drugid","Tavor.drugid","GBM.drugid","NCI60.drugid","PRISM.drugid","smiles","inchikey","cid","FDA","PharmacoDB.uid","NSC_number","PharmacoDB.status","MITMel.drugid","VISAGE.drugid"
+"1","Erlotinib","Erlotinib","Erlotinib",NA,"Erlotinib",NA,NA,NA,"erlotinib","erlotinib///Erlotinib","Erlotinib///erlotinib","Erlotinib","Erlotinib",NA,"Erlotinib","Erlotinib","Erlotinib","Erlotinib",NA,NA,"Erlotinib","erlotinib","COCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC.Cl","GTTBEUCJPZQMDZ-UHFFFAOYSA-N",176871,TRUE,"PDBC00001","718781","Present","erlotinib",NA
+"2","Acadesine","AICAR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AICAR",NA,NA,"AICA Ribonucleotide",NA,NA,NA,NA,"Acadesine",NA,"C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N","RTRQQBHATOEIAF-UUOKFMHZSA-N",17513,NA,"PDBC00002","105823","Present",NA,NA
+"3","Camptothecin","Camptothecin",NA,NA,NA,NA,NA,"camptothecin",NA,NA,NA,NA,"Camptothecin",NA,NA,"Camptothecin",NA,NA,NA,"Camptothecine (S.+)","NSC95382///NSC610458///NSC610457///Camptothecin Derivative///CAMPTOTHECIN///Camptothecin","camptothecin","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O","VSJKWCGYPAHWDS-FQEVSTJZSA-N",24360,NA,"PDBC00003","95382///610458///610457///302991///94600///100880","Present",NA,NA
+"4","Vincaleukoblastine","Vinblastine",NA,NA,NA,NA,NA,"vinblastine",NA,"Vinblastine",NA,"Vinblastine","Vinblastine",NA,NA,"Vinblastine",NA,NA,NA,"Vinblastine Sulfate  ","Vinblastine",NA,"CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O","KDQAABAKXDWYSZ-JKDPCDLQSA-N",241902,TRUE,"PDBC00004","49842","Present",NA,NA
+"5","Cisplatin","Cisplatin",NA,NA,"Cisplatin",NA,NA,NA,NA,"Cisplatin",NA,NA,"Cisplatin",NA,NA,"Cisplatin",NA,NA,NA,NA,"Cisplatin","cisplatin","[NH2-].[NH2-].Cl[Pt+2]Cl","DQLATGHUWYMOKM-UHFFFAOYSA-L",24191118,TRUE,"PDBC00005","119875","Present","cisplatin",NA
+"6","Cytarabine","Cytarabine",NA,NA,NA,NA,NA,NA,"cytarabine hydrochloride",NA,NA,NA,"Cytarabine",NA,NA,"Cytarabine","Cytarabine",NA,"Cytarabine",NA,"Cytarabine","cytarabine","C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)O.Cl","KCURWTAZOZXKSJ-UHFFFAOYSA-N",5351180,TRUE,"PDBC00006","756714///287459///63878","Present",NA,NA
+"7","Docetaxel","Docetaxel",NA,NA,"Docetaxel",NA,NA,NA,"docetaxel","docetaxel///Docetaxel",NA,NA,"Docetaxel",NA,"Docetaxel","Docetaxel",NA,NA,NA,NA,"Docetaxel","docetaxel","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O","ZDZOTLJHXYCWBA-VCVYQWHSSA-N",148124,TRUE,"PDBC00007","628503///759850","Present","Docetaxel",NA
+"8","Methotrexate","Methotrexate",NA,NA,"Methotrexate",NA,NA,"methotrexate","methotrexate","Methotrexate",NA,"Methotrexate","Methotrexate",NA,NA,"Methotrexate","Methotrexate",NA,NA,NA,"METHOTREXATE","methotrexate","CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","FBOZXECLQNJBKD-ZDUSSCGKSA-N",126941,TRUE,"PDBC00008","740","Present",NA,NA
+"9","Tretinoin","ATRA",NA,NA,NA,NA,"ATRA","tretinoin","tretinoin",NA,NA,NA,"ATRA","Tretinoin",NA,"Tretinoin","Tretinoin",NA,"Tretinoin",NA,NA,NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C)C","SHGAZHPCJJPHSC-YCNIQYBTSA-N",444795,NA,"PDBC00009",NA,"Present",NA,NA
+"10","Gefitinib","Gefitinib",NA,NA,"Gefitinib///Iressa",NA,NA,"gefitinib","gefitinib","Gefitinib",NA,NA,"Gefitinib",NA,NA,"Gefitinib","Gefitinib","Gefitinib",NA,"Gefitinib","Gefitinib","gefitinib","COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4","XGALLCVXEZPNRQ-UHFFFAOYSA-N",123631,TRUE,"PDBC00010","759856///715055///800105","Present",NA,NA
+"11","Navitoclax","ABT-263",NA,NA,NA,NA,"navitoclax",NA,"navitoclax",NA,NA,NA,"Navitoclax",NA,"ABT-263","Navitoclax","Navitoclax",NA,"Navitoclax (ABT 263)",NA,"Navitoclax","navitoclax","CC1(CCC(=C(C1)CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(C=C4)NC(CCN5CCOCC5)CSC6=CC=CC=C6)S(=O)(=O)C(F)(F)F)C7=CC=C(C=C7)Cl)C","JLYAXFNOILIKPP-KXQOOQHDSA-N",24978538,NA,"PDBC00011","759659","Present","ABT263",NA
+"12","Vorinostat","Vorinostat",NA,NA,"Vorinostat///SAHA",NA,"vorinostat","vorinostat","vorinostat","vorinostat///Vorinostat",NA,NA,"Vorinostat",NA,"Vorinostat","Vorinostat","Vorinostat",NA,NA,NA,"Vorinostat","vorinostat","C1=CC=C(C=C1)NC(=O)CCCCCCC(=O)NO","WAEXFXRVDQXREF-UHFFFAOYSA-N",5311,TRUE,"PDBC00012","759852///701852","Present","vorinostat/SAHA",NA
+"13","Nilotinib","Nilotinib","Nilotinib",NA,"Nilotinib",NA,NA,NA,"nilotinib","Nilotinib",NA,NA,"Nilotinib",NA,NA,"Nilotinib","Nilotinib","Nilotinib",NA,"Nilotinib  ","Nilotinib","nilotinib","CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)N3C=C(N=C3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5","HHZIURLSWUIHRB-UHFFFAOYSA-N",644241,TRUE,"PDBC00013","747599///800804","Present","nilotinib",NA
+"14","Refametinib","RDEA119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RDEA119",NA,NA,"Refametinib","Refametinib",NA,NA,NA,"Refametinib","refametinib","COC1=CC(=C(C(=C1NS(=O)(=O)C2(CC2)CC(CO)O)NC3=C(C=C(C=C3)I)F)F)F","RDSACQWTXKSHJT-NSHDSACASA-N",44182295,NA,"PDBC00014","800864///765866","Present",NA,NA
+"15","CI-1040","CI-1040",NA,NA,"CI1040///PD184352",NA,NA,"PHA-00816795",NA,NA,NA,NA,"CI-1040",NA,NA,"CI-1040",NA,"CI-1040 (PD184352)",NA,NA,"PD 184352","PD-184352","C1CC1CONC(=O)C2=C(C(=C(C=C2)F)F)NC3=C(C=C(C=C3)I)Cl","GFMMXOIFOQCCGU-UHFFFAOYSA-N",6918454,NA,"PDBC00015","765695","Present",NA,NA
+"16","Temsirolimus","Temsirolimus",NA,"temsirolimus","Temsirolimus///Torisel",NA,NA,NA,"temsirolimus",NA,NA,NA,"Temsirolimus",NA,"Temsirolimus","Temsirolimus","Temsirolimus",NA,"Temsirolimus (mTOR inhibitor)",NA,"Temsirolimus","temsirolimus","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC","CBPNZQVSJQDFBE-FUXHJELOSA-N",6918289,TRUE,"PDBC00016","683864","Present",NA,NA
+"17","Olaparib","AZD-2281",NA,NA,NA,NA,"olaparib",NA,"olaparib",NA,"OLA///olaparib",NA,"Olaparib",NA,NA,"Olaparib","Olaparib",NA,NA,NA,"Olaparib","olaparib","C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F","FDLYAMZZIXQODN-UHFFFAOYSA-N",23725625,NA,"PDBC00017","747856///753686","Present",NA,NA
+"18","Veliparib dihydrochloride","ABT-888",NA,NA,NA,NA,"veliparib",NA,"veliparib",NA,NA,"ABT-888","Veliparib",NA,"ABT-888","Veliparib",NA,NA,NA,NA,"Veliparib",NA,"CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N","JNAHVYVRKWKWKQ-CYBMUJFWSA-N",11960529,NA,"PDBC00018","752840///737664","Present",NA,NA
+"19","Bosutinib","Bosutinib",NA,NA,"Bosutinib///SKI-606",NA,NA,NA,"bosutinib","Bosutinib",NA,NA,"Bosutinib",NA,"Bosutinib","Bosutinib","Bosutinib","Bosutinib (SKI-606)",NA,NA,"Bosutinib","bosutinib","CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC","UBPYILGKFZZVDX-UHFFFAOYSA-N",5328940,TRUE,"PDBC00019","765694///755389","Present",NA,NA
+"20","Lenalidomide","Lenalidomide",NA,NA,NA,NA,"lenalidomide",NA,NA,"Lenalidomide",NA,NA,"Lenalidomide",NA,NA,"Lenalidomide","Lenalidomide","Lenalidomide","Lenalidomide",NA,"Lenalidomide","lenalidomide","C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N","GOTYRUGSSMKFNF-UHFFFAOYSA-N",216326,TRUE,"PDBC00020","747972","Present","lenalidomide",NA
+"21","Axitinib","Axitinib",NA,NA,NA,NA,NA,NA,"axitinib",NA,NA,NA,"Axitinib",NA,NA,"Axitinib","Axitinib","Axitinib (AG-013736)",NA,"Axitinib","Axitinib","axitinib","CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4","RITAVMQDGBJQJZ-FMIVXFBMSA-N",6450551,TRUE,"PDBC00021","799341///757441","Present",NA,NA
+"22","AZD7762","AZD7762",NA,NA,NA,NA,NA,NA,"AZD7762","AZD-7762",NA,NA,"AZD7762",NA,"AZD-7762","AZD7762",NA,NA,NA,NA,"AZD-7762","AZD7762","C1CC(CNC1)NC(=O)C2=C(C=C(S2)C3=CC(=CC=C3)F)NC(=O)N","IAYGCINLNONXHY-LBPRGKRZSA-N",11152667,NA,"PDBC00022","799350///757148","Present","AZD7762",NA
+"23","GW 441756","GW 441756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW 441756",NA,NA,"GW441756",NA,NA,NA,NA,"GW441756X","GW-441756","Cn1cc(C=C2C(=O)Nc3cccnc23)c4ccccc14",NA,9943465,NA,"PDBC00023","756236","Present",NA,NA
+"24","Lestaurtinib","CEP-701",NA,NA,"Lestaurtinib(CEP-701)///Lestaurtinib",NA,NA,NA,NA,NA,NA,NA,"CEP-701",NA,NA,"Lestaurtinib","Lestaurtinib","Lestaurtinib (CEP-701)",NA,NA,"Lestaurtinib","lestaurtinib",NA,NA,126565,NA,"PDBC00024","772196///800782","Present",NA,NA
+"25","SB 216763","SB 216763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB 216763",NA,NA,"SB216763",NA,NA,NA,NA,NA,NA,"Cn1cc(C2=C(C(=O)NC2=O)c3ccc(Cl)cc3Cl)c4ccccc14",NA,176158,NA,"PDBC00025",NA,"Present",NA,NA
+"26","Tanespimycin","17-AAG","17-AAG",NA,"17-AAG",NA,"tanespimycin","tanespimycin","tanespimycin","17-AAG",NA,NA,"17-AAG",NA,NA,"Tanespimycin","Tanespimycin","17-AAG (Tanespimycin)",NA,NA,"Tanespimycin","tanespimycin","CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC","AYUNIORJHRXIBJ-TXHRRWQRSA-N",6505803,NA,"PDBC00026","330507","Present",NA,NA
+"27","VX-702","VX-702",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VX-702",NA,NA,"VX-702",NA,NA,NA,NA,"VX-702","VX-702","C1=CC(=C(C(=C1)F)N(C2=NC(=C(C=C2)C(=O)N)C3=C(C=C(C=C3)F)F)C(=O)N)F","FYSRKRZDBHOFAY-UHFFFAOYSA-N",10341154,NA,"PDBC00027","775665","Present",NA,NA
+"28","Motesanib","AMG-706",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-706",NA,NA,"Motesanib","Motesanib","Motesanib (AMG-706)",NA,NA,"Motesanib","motesanib","CC1(CNC2=C1C=CC(=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4)C","RAHBGWKEPAQNFF-UHFFFAOYSA-N",11667893,NA,"PDBC00028","760843","Present",NA,NA
+"29","KU-55933","KU-55933",NA,NA,NA,NA,NA,NA,"KU-55933",NA,NA,NA,"KU-55933",NA,NA,"KU-55933",NA,"KU-55933",NA,NA,"KU-55933",NA,"C1COCCN1C2=CC(=O)C=C(O2)C3=C4C(=CC=C3)SC5=CC=CC=C5S4","XRKYMMUGXMWDAO-UHFFFAOYSA-N",5278396,NA,"PDBC00029","787962","Present",NA,NA
+"30","Elesclomol","Elesclomol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elesclomol",NA,"STA-4783","Elesclomol",NA,"Elesclomol",NA,NA,"Elesclomol","elesclomol","CN(C(=S)C1=CC=CC=C1)NC(=O)CC(=O)NN(C)C(=S)C2=CC=CC=C2","BKJIXTWSNXCKJH-UHFFFAOYSA-N",300471,NA,"PDBC00030","174939","Present",NA,NA
+"31","Afatinib","BIBW2992",NA,NA,"BIBW2992",NA,NA,NA,"afatinib",NA,NA,NA,"Afatinib",NA,"BIBW-2992","Afatinib","Afatinib","Afatinib (BIBW-2992)",NA,NA,"Afatinib","afatinib","CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4","ULXXDDBFHOBEHA-CWDCEQMOSA-N",10184653,NA,"PDBC00031","799327///750691","Present",NA,NA
+"32","Vismodegib","GDC-0449",NA,NA,NA,NA,"vismodegib",NA,NA,NA,NA,NA,"GDC0449","Vismodegib","Vismodegib","Vismodegib","Vismodegib","Vismodegib (GDC-0449)","Vismodegib (hedgehog inh)",NA,"Vismodegib","vismodegib","CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl","BPQMGSKTAYIVFO-UHFFFAOYSA-N",24776445,NA,"PDBC00032","755986///755809","Present","vismodegib/GDC0449",NA
+"33","PLX4720","PLX4720","PLX4720",NA,NA,NA,NA,NA,"PLX-4720","PLX-4720",NA,NA,"PLX4720",NA,NA,"PLX-4720",NA,"PLX-4720",NA,NA,"PLX-4720","PLX-4720","CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)Cl)F","YZDJQTHVDDOVHR-UHFFFAOYSA-N",24180719,NA,"PDBC00033","757438","Present","PLX4720",NA
+"34","BX-795","BX-795",NA,NA,NA,NA,"BX-795",NA,NA,NA,NA,NA,"BX-795",NA,NA,"BX795",NA,NA,NA,NA,NA,NA,"C1CCN(C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)NCCCNC(=O)C4=CC=CS4)I","VAVXGGRQQJZYBL-UHFFFAOYSA-N",10077147,NA,"PDBC00034",NA,"Present",NA,NA
+"35","NU-7441","NU-7441",NA,NA,NA,NA,NA,NA,NA,"NU 7441///NU7441",NA,NA,"NU-7441",NA,NA,"NU7441",NA,NA,NA,NA,NA,NA,"C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC5=C4SC6=CC=CC=C56","JAMULYFATHSZJM-UHFFFAOYSA-N",11327430,NA,"PDBC00035",NA,"Present",NA,NA
+"36","SL 0101-1","SL 0101-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SL 0101-1",NA,NA,"SL0101",NA,NA,NA,NA,NA,NA,NA,NA,46782929,NA,"PDBC00036",NA,"Present",NA,NA
+"37","Bortezomib","Bortezomib",NA,NA,"Bortezomib///Bortezomib-batch2///Bortezomib-batch1///Velcade",NA,"bortezomib",NA,"bortezomib","bortezomib///Bortezomib",NA,"Bortezomib","Bortezomib",NA,"Bortezomib","Bortezomib","Bortezomib","Bortezomib (Velcade)","Bortezomib","Bortezomib  ","Bortezomib","bortezomib","B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O","GXJABQQUPOEUTA-RDJZCZTQSA-N",387447,TRUE,"PDBC00037","681239///756655","Present","Bortezomib",NA
+"38","Doramapimod","BIRB 0796",NA,NA,NA,NA,NA,NA,"BIRB-796",NA,NA,NA,"BIRB 0796",NA,NA,"Doramapimod","Doramapimod","Doramapimod (BIRB 796)",NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00038",NA,"Present",NA,NA
+"39","JNK Inhibitor VIII","JNK Inhibitor VIII",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNK Inhibitor VIII",NA,NA,"JNK Inhibitor VIII",NA,NA,NA,NA,NA,NA,NA,NA,11624601,NA,"PDBC00039",NA,"Present",NA,NA
+"40","681640","681640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"681640",NA,NA,"Wee1 Inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00040",NA,"Present",NA,NA
+"41","Nutlin-3","Nutlin-3a","Nutlin-3",NA,"Nutlin 3a///Nutlin-3///private_company_drug_2498",NA,"nutlin-3",NA,"nutlin-3",NA,NA,NA,NA,NA,"Nutlin-3",NA,NA,"Nutlin 3a",NA,NA,"Nutlin-3///(+/-)-Nutlin-3","nutlin-3","CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","BDUHCSBCVGXTJM-UHFFFAOYSA-N",216345,NA,"PDBC00041","732664///756875","Present","Nutlin-3",NA
+"42","PD 173074","PD-173074",NA,NA,"PD173074","PD173074",NA,NA,NA,NA,NA,NA,"PD-173074",NA,"PD173074","PD173074",NA,NA,NA,NA,"PD 173074","PD-173074","CCN(CC)CCCCNC1=NC2=NC(=C(C=C2C=N1)C3=CC(=CC(=C3)OC)OC)NC(=O)NC(C)(C)C","DXCUKNQANPLTEJ-UHFFFAOYSA-N",1401,NA,"PDBC00042","766908","Present",NA,NA
+"43","ZM-447439","ZM-447439",NA,NA,"ZM447439",NA,NA,NA,NA,NA,NA,NA,"ZM-447439",NA,NA,"ZM447439",NA,NA,NA,NA,NA,"ZM-447439","COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4)OCCCN5CCOCC5","OGNYUTNQZVRGMN-UHFFFAOYSA-N",9914412,NA,"PDBC00043",NA,"Present",NA,NA
+"44","RO-3306","RO-3306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RO-3306",NA,NA,"RO-3306",NA,NA,NA,NA,NA,NA,"C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)NCC4=CC=CS4)N=C1","XOLMRFUGOINFDQ-UHFFFAOYSA-N",71433937,NA,"PDBC00044",NA,"Present",NA,NA
+"45","MK-2206","MK-2206",NA,NA,NA,NA,"MK-2206",NA,"MK-2206","MK-2206",NA,"MK-2206","MK-2206",NA,"MK-2206","MK-2206",NA,"MK-2206",NA,NA,"MK-2206","MK-2206","C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N.Cl.Cl","HWUHTJIKQZZBRA-UHFFFAOYSA-N",46930998,NA,"PDBC00045","800794///756656","Present",NA,NA
+"46","Palbociclib","PD-0332991","PD-0332991",NA,NA,NA,NA,NA,NA,"Palbociclib",NA,NA,"PD-0332991",NA,"PD-0332991","Palbociclib","Palbociclib","Palbociclib","Palbociclib (CDK4/6 inh)",NA,"Palbociclib","palbociclib","CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCNCC4)C5CCCC5)C(=O)C","AHJRHEGDXFFMBM-UHFFFAOYSA-N",5330286,NA,"PDBC00046","758247","Present",NA,NA
+"47","Dactolisib","NVP-BEZ235",NA,"BEZ.235","BEZ235",NA,"BEZ235",NA,"NVP-BEZ235",NA,NA,"BEZ-235","BEZ235",NA,"BEZ-235","Dactolisib",NA,"BEZ235","BEZ235 Tosylate",NA,"Dactolisib","NVP-BEZ235","CC(C)(C#N)C1=CC=C(C=C1)N2C3=C4C=C(C=CC4=NC=C3N(C2=O)C)C5=CC6=CC=CC=C6N=C5","JOGKUKXHTYWRGZ-UHFFFAOYSA-N",11977753,NA,"PDBC00047","751249///800085///755807","Present",NA,NA
+"48","Pictilisib","GDC0941",NA,NA,NA,"GDC-0941",NA,NA,"GDC-0941","gdc0941///GDC-0941",NA,NA,"GDC0941",NA,"GDC-0941","Pictilisib","Pictilisib","GDC-0941",NA,NA,"Pictilisib","GDC-0941","CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6","LHNIIDJUOCFXAP-UHFFFAOYSA-N",17755052,NA,"PDBC00048","800852///755385","Present",NA,NA
+"49","AZD8055","AZD8055",NA,NA,NA,NA,NA,NA,"AZD8055","AZD-8055",NA,NA,"AZD8055",NA,NA,"AZD8055",NA,NA,NA,NA,"AZD-8055","AZD8055","CC1COCCN1C2=NC(=NC3=C2C=CC(=N3)C4=CC(=C(C=C4)OC)CO)N5CCOCC5C","KVLFRAWTRWDEDF-IRXDYDNUSA-N",25262965,NA,"PDBC00049","799351///758871","Present",NA,NA
+"50","XMD8-85","XMD8-85",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XMD8-85",NA,NA,"XMD8-85",NA,NA,NA,NA,NA,NA,"COc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCN(C)CC1",NA,NA,NA,"PDBC00050",NA,"Present",NA,NA
+"51","PD-0325901","PD-0325901","PD-0325901",NA,NA,NA,NA,"0317956-0000",NA,"pd0325901",NA,"PD325901","PD-0325901",NA,NA,"PD0325901",NA,NA,NA,NA,"PD-0325901///PD-325901","PD-0325901","C1=CC(=C(C=C1I)F)NC2=C(C=CC(=C2F)F)C(=O)NOCC(CO)O","SUDAHWBOROXANE-SECBINFHSA-N",9826528,NA,"PDBC00051","755770///800840","Present",NA,NA
+"52","SB590885","SB590885",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB590885",NA,NA,"SB590885",NA,NA,NA,NA,"SB-590885","SB-590885","CN(C)CCOC1=CC=C(C=C1)C2=NC(=C3C=CC4=C(CCC4=C3)N=O)C(=C5C=CNC=C5)N2","DPCXEUSDRQOOGZ-QLYXXIJNSA-N",11316960,NA,"PDBC00052","754362","Present",NA,NA
+"53","Selumetinib","AZD6244","AZD6244",NA,"AZD6244",NA,"selumetinib",NA,"selumetinib",NA,"AZD6244",NA,"selumetinib",NA,NA,"Selumetinib","Selumetinib","Selumetinib (AZD6244)","selumetinib",NA,"Selumetinib","selumetinib","CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)Cl)C(=O)NOCCO","CYOHGALHFOKKQC-UHFFFAOYSA-N",10127622,NA,"PDBC00053","741078///800882","Present",NA,NA
+"54","AZD6482","AZD6482",NA,NA,NA,NA,NA,NA,"AZD6482",NA,NA,NA,"AZD6482",NA,NA,"AZD6482",NA,NA,NA,NA,"AZD-6482","AZD6482","CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3C(=O)O)N4CCOCC4","IRTDIKMSKMREGO-OAHLLOKOSA-N",44137675,NA,"PDBC00054","799349","Present",NA,NA
+"55","CCT007093","CCT007093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCT007093",NA,NA,"CCT007093",NA,NA,NA,NA,NA,NA,"C1CC(=CC2=CC=CS2)C(=O)C1=CC3=CC=CS3","KPFZCKDPBMGECB-WGDLNXRISA-N",2314623,NA,"PDBC00055",NA,"Present",NA,NA
+"56","EHT 1864","EHT 1864",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EHT 1864",NA,"EHT-1864","EHT-1864",NA,NA,NA,NA,NA,NA,NA,NA,9938202,NA,"PDBC00056",NA,"Present",NA,NA
+"57","Avagacestat","BMS-708163",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-708163",NA,NA,"Avagacestat",NA,NA,NA,NA,"Avagacestat",NA,"C1=CC(=CC=C1S(=O)(=O)N(CC2=C(C=C(C=C2)C3=NOC=N3)F)C(CCC(F)(F)F)C(=O)N)Cl","XEAOPVUAMONVLA-QGZVFWFLSA-N",46883536,NA,"PDBC00057","761217","Present",NA,NA
+"58","Paclitaxel","Paclitaxel","Paclitaxel","paclitaxel","Paclitaxel",NA,NA,"paclitaxel","paclitaxel","paclitaxel///Paclitaxel","paclitaxel","Paclitaxel","Paclitaxel",NA,"Paclitaxel","Paclitaxel","Paclitaxel",NA,NA,"Paclitaxel","Paclitaxel","paclitaxel","CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](O)[C@@]4(C)C1=O)OC(=O)C)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7","RCINICONZNJXQF-MZXODVADSA-N",36314,TRUE,"PDBC00058","125973///758645","Present",NA,NA
+"59","Seliciclib","Roscovitine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Roscovitine",NA,NA,"Seliciclib","Seliciclib","Roscovitine (CYC-202)",NA,"Roscovitine","Seliciclib",NA,"CCC(CO)NC1=NC2=C(C(=N1)NCC3=CC=CC=C3)N=CN2C(C)C","BTIHMVBBUGXLCJ-OAHLLOKOSA-N",160355,NA,"PDBC00059","701554","Present",NA,NA
+"60","Salubrinal","Salubrinal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Salubrinal",NA,NA,"Salubrinal",NA,NA,NA,NA,NA,NA,"C1=CC=C(C=C1)C=CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3","LCOIAYJMPKXARU-VAWYXSNFSA-N",5717801,NA,"PDBC00060",NA,"Present",NA,NA
+"61","PF-4708671","PF-4708671",NA,NA,NA,NA,NA,NA,NA,"PF-4708671",NA,NA,"PF-4708671",NA,NA,"PF-4708671",NA,NA,NA,NA,NA,NA,"CCC1=CN=CN=C1N2CCN(CC2)CC3=NC4=C(N3)C=C(C=C4)C(F)(F)F","FBLPQCAQRNSVHB-UHFFFAOYSA-N",51371303,NA,"PDBC00061",NA,"Present",NA,NA
+"62","Serdemetan","JNJ-26854165",NA,NA,NA,NA,"serdemetan",NA,"serdemetan",NA,NA,NA,"JNJ-26854165",NA,NA,"Serdemetan","Serdemetan",NA,NA,NA,NA,"serdemetan","C1=CC=C2C(=C1)C(=CN2)CCNC3=CC=C(C=C3)NC4=CC=NC=C4","CEGSUKYESLWKJP-UHFFFAOYSA-N",11609586,NA,"PDBC00062",NA,"Present",NA,NA
+"63","TW 37","TW 37",NA,NA,NA,NA,"TW-37",NA,"TW-37",NA,NA,NA,"TW 37",NA,NA,"TW 37",NA,NA,NA,NA,NA,"TW-37","CC(C)C1=CC=CC=C1CC2=C(C(=C(C(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C)O)O)O","PQAPVTKIEGUPRN-UHFFFAOYSA-N",11455910,NA,"PDBC00063",NA,"Present",NA,NA
+"64","CCT018159","CCT018159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCT018159",NA,NA,"CCT-018159",NA,NA,NA,NA,NA,NA,"CCC1=CC(=C2C(=C(NN2)C)C3=CC4=C(C=C3)OCCO4)C(=O)C=C1O","BBTMGPQSLSYPHE-ZHZULCJRSA-N",5327091,NA,"PDBC00064",NA,"Present",NA,NA
+"65","Rucaparib phosphate","AG-014699",NA,NA,NA,NA,"rucaparib",NA,NA,NA,NA,NA,"AG-014699",NA,NA,"Rucaparib",NA,NA,NA,NA,NA,NA,"CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=CC(=CC(=C34)N2)F.OP(=O)(O)O","FCCGJTKEKXUBFZ-UHFFFAOYSA-N",9931953,NA,"PDBC00065",NA,"Present",NA,NA
+"66","Lapatinib","Lapatinib","Lapatinib","lapatinib","Lapatinib///private_company_drug_2643",NA,NA,NA,"lapatinib","lapatinib///Lapatinib","lapatinib","Lapatinib","Lapatinib",NA,"Lapatinib","Lapatinib","Lapatinib","Lapatinib",NA,"Lapatinib","Lapatinib","lapatinib","CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","BCFGMOOMADDAQU-UHFFFAOYSA-N",208908,TRUE,"PDBC00066","745750///800780///727989","Present","lapatinib",NA
+"67","Aminofurazanyl-azabenzimidazole 6n","GSK269962A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK269962A",NA,NA,"GSK269962A",NA,NA,NA,NA,"GSK269962B",NA,"CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6","YOVNFNXUCOWYSG-UHFFFAOYSA-N",16095342,NA,"PDBC00067","756162","Present",NA,NA
+"68","Doxorubicin","Doxorubicin",NA,NA,"Doxorubicin///Doxorubicin(FD)",NA,NA,"doxorubicin","doxorubicin","doxorubicin",NA,"Doxorubicin","Doxorubicin",NA,NA,"Doxorubicin","Doxorubicin",NA,NA,"Doxorubicin1,Doxorubicin2,Doxorubicin3,Doxorubicin4,Doxorubicin5,Doxorubicin6,Doxorubicin7,Doxorubicin8,Doxorubicin hydrochloride","Doxorubicin","doxorubicin","CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O.Cl","MWWSFMDVAYGXBV-FGBJBKNOSA-N",32874,TRUE,"PDBC00068","123127///759155","Present",NA,NA
+"69","Etoposide","Etoposide",NA,NA,"Etoposide",NA,"etoposide","etoposide","etoposide","Etoposide",NA,"Etoposide","Etoposide",NA,"Etoposide","Etoposide",NA,NA,"Etoposide","Etoposide","Etoposide","etoposide///etoposide-phosphate","CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O","VJJPUSNTGOMMGY-MRVIYFEKSA-N",36462,TRUE,"PDBC00069","757804///141540","Present","etoposide",NA
+"70","Gemcitabine","Gemcitabine",NA,NA,"Gemcitabine",NA,"gemcitabine",NA,"gemcitabine","gemcitabine///Gemcitabine",NA,"Gemcitabine","Gemcitabine",NA,"Gemcitabine","Gemcitabine",NA,NA,NA,NA,"Gemcitabine","gemcitabine","C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F.Cl","OKKDEIYWILRZIA-UHFFFAOYSA-N",356653,TRUE,"PDBC00070","613327","Present","gemcitabine",NA
+"71","Mitomycin","Mitomycin C",NA,NA,NA,NA,"mitomycin",NA,"mitomycin",NA,NA,"Mitomycin","Mitomycin C",NA,"Mitomycin C","Mitomycin-C",NA,NA,NA,NA,"Mitomycin","mitomycin-c","CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)N","NWIBSHFKIJFRCO-WUDYKRTCSA-N",5746,NA,"PDBC00071","26980///134727///755880","Present",NA,NA
+"72","Vinorelbine","Vinorelbine",NA,NA,"Vinorelbine",NA,NA,NA,NA,NA,NA,"Vinorelbine","Vinorelbine",NA,"Vinorelbine","Vinorelbine",NA,NA,NA,"Vinorelbine tartrate","VINORELBINE///Vinorelbine","vinorelbine","CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O","UUHYRRXICWUZHW-RPZOAHRESA-N",25136944,TRUE,"PDBC00072","760087///608210","Present",NA,NA
+"73","NSC-87877","NSC-87877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC-87877",NA,NA,"NSC-87877",NA,NA,NA,NA,NA,NA,"C1=CC2=C(C(=O)C(=NNC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)C=C2S(=O)(=O)O)N=C1","BIQBDHSYQMHHPU-CJLVFECKSA-N",5459322,NA,"PDBC00073",NA,"Present",NA,NA
+"74","Bicalutamide","Bicalutamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicalutamide",NA,NA,"Bicalutamide","Bicalutamide",NA,NA,NA,NA,"bicalutamide","CC(CS(=O)(=O)C1=CC=C(C=C1)F)(C(=O)NC2=CC(=C(C=C2)C#N)C(F)(F)F)O","LKJPYSCBVHEWIU-UHFFFAOYSA-N",2375,TRUE,"PDBC00074",NA,"Present",NA,NA
+"75","QS11","QS11",NA,NA,NA,NA,"QS-11",NA,"QS-11",NA,NA,NA,"QS11",NA,NA,"QS11",NA,NA,NA,NA,NA,NA,"C1CC2=C(C1)C=C(C=C2)OC3=NC4=C(C(=N3)NC(CC5=CC=CC=C5)CO)N=CN4CC6=CC=C(C=C6)C7=CC=CC=C7","DOKZLKDGUQWMSX-HKBQPEDESA-N",42623900,NA,"PDBC00075",NA,"Present",NA,NA
+"76","Midostaurin","Midostaurin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Midostaurin",NA,NA,"Midostaurin",NA,"Midostaurin","Midostaurin(PKC412)",NA,"Midostaurin","midostaurin","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C9=CC=CC=C9)OC","BMGQWWVMWDBQGC-PZFYLCKJSA-N",24202429,TRUE,"PDBC00076","800791///656576","Present",NA,NA
+"77","Chir-99021","CHIR-99021",NA,NA,NA,NA,"CHIR-99021",NA,"CHIR-99021","CHIR-99021",NA,NA,"CHIR-99021",NA,NA,"CHIR-99021",NA,"CHIR-99021",NA,NA,NA,"CHIR-99021","CC1=CN=C(N1)C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)Cl)NCCNC4=NC=C(C=C4)C#N","AQGNHMOJWBZFQQ-UHFFFAOYSA-N",9956119,NA,"PDBC00077",NA,"Present",NA,NA
+"78","Ponatinib","AP-24534",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AP-24534",NA,NA,"Ponatinib","Ponatinib","Ponatinib (AP24534)",NA,NA,"Ponatinib","ponatinib","CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5","PHXJVRSECIGDHY-UHFFFAOYSA-N",24826799,NA,"PDBC00078","800855///758487","Present",NA,NA
+"79","JNK-9L","JNK-9L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNK-9L",NA,NA,"JNK-9L",NA,NA,NA,NA,NA,NA,"N#Cc1cc(cc(c1)-c1ccnc(Nc2ccc(cc2)-n2cnc(n2)-c2cccnc2)n1)N1CCOCC1",NA,25222038,NA,"PDBC00079",NA,"Present",NA,NA
+"80","PF-00562271 free base","PF-562271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-562271",NA,NA,"PF-562271",NA,NA,NA,NA,"PF-562271","PF-562271","CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C","MZDKLVOWGIOKTN-UHFFFAOYSA-N",11713159,NA,"PDBC00080","754356///800849","Present","PF562271",NA
+"81","Dimethyloxalylglycine","DMOG",NA,NA,NA,NA,NA,"dimethyloxalylglycine",NA,NA,NA,NA,"DMOG",NA,NA,"DMOG",NA,NA,NA,NA,NA,NA,"COC(=O)CNC(=O)C(=O)OC","BNJOZDZCRHCODO-UHFFFAOYSA-N",560326,NA,"PDBC00081",NA,"Present",NA,NA
+"82","FTI-277","FTI-277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FTI-277",NA,NA,"FTI-277",NA,NA,NA,NA,NA,NA,"COC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC=C2","GKFPROVOIQKYTO-UZLBHIALSA-N",3005532,NA,"PDBC00082",NA,"Present",NA,NA
+"83","PDK1 inhibitor AR-12","OSU-03012",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OSU-03012",NA,NA,"OSU-03012",NA,NA,NA,NA,"OSU-03012","AR-12","C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)NC(=O)CN)C(F)(F)F","YULUCECVQOCQFQ-UHFFFAOYSA-N",10027278,NA,"PDBC00083","756657","Present","OSU03012",NA
+"84","Cyclopamine","Cyclopamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopamine",NA,NA,"Cyclopamine","Cyclopamine",NA,NA,NA,"Cyclopamine",NA,"CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5CC4=C3C)C)O)C)NC1","QASFUMOKHFSJGL-LAFRSMQTSA-N",442972,NA,"PDBC00084","734950","Present",NA,NA
+"85","Shikonin","Shikonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Shikonin",NA,NA,"Shikonin",NA,NA,NA,NA,"shikonin",NA,NA,NA,479503,NA,"PDBC00085","252844","Present",NA,NA
+"86","Akt inhibitor VIII","AKT inhibitor VIII",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AKT inhibitor VIII",NA,NA,"AKT inhibitor VIII",NA,NA,NA,NA,NA,NA,NA,NA,10196499,NA,"PDBC00086",NA,"Present",NA,NA
+"87","Embelin","Embelin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Embelin",NA,"Embelin","Embelin",NA,NA,NA,NA,"embelin","embelin","CCCCCCCCCCCC1C(=O)C(=O)CC(=O)C1=O",NA,3218,TRUE,"PDBC00087","91874","Present",NA,NA
+"88","FH535","FH535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FH535",NA,NA,"FH535",NA,NA,NA,NA,"FH-535",NA,"CC1=C(C=CC(=C1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=CC(=C2)Cl)Cl","AXNUEXXEQGQWPA-UHFFFAOYSA-N",3463933,NA,"PDBC00088","778746","Present",NA,NA
+"89","Pac-1","PAC-1",NA,NA,NA,NA,"PAC-1",NA,"PAC-1",NA,NA,NA,"PAC-1",NA,NA,"PAC-1",NA,NA,NA,NA,"PAC-1","PAC-1","Oc1c(CC=C)cccc1C=NNC(=O)CN2CCN(Cc3ccccc3)CC2",NA,6851947,NA,"PDBC00089","743444","Present",NA,NA
+"90","Bis(2-hydroxy-1-naphthyl) disulfide","IPA-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IPA-3",NA,NA,"IPA-3",NA,NA,NA,NA,NA,NA,"C1=CC=C2C(=C1)C=CC(=C2SSC3=C(C=CC4=CC=CC=C43)O)O","RFAXLXKIAKIUDT-UHFFFAOYSA-N",521106,NA,"PDBC00090",NA,"Present",NA,NA
+"91","GSK-650394","GSK-650394",NA,NA,"GSK650394///GSK-650394",NA,NA,NA,NA,NA,NA,NA,"GSK-650394",NA,NA,"GSK650394",NA,NA,NA,NA,NA,"GSK650394","C1CCC(C1)C2=C(C=CC(=C2)C3=CNC4=NC=C(C=C34)C5=CC=CC=C5)C(=O)O","WVSBGSNVCDAMCF-UHFFFAOYSA-N",25022668,NA,"PDBC00091",NA,"Present",NA,NA
+"92","BAY-61-3606 free base","BAY 61-3606",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY 61-3606",NA,NA,"BAY-61-3606",NA,NA,NA,NA,"BAY 61-3606",NA,NA,NA,10200390,NA,"PDBC00092","766992","Present",NA,NA
+"93","Thapsigargin","Thapsigargin",NA,NA,NA,NA,NA,"thapsigargin",NA,"thapsigargin",NA,NA,"Thapsigargin",NA,NA,"Thapsigargin",NA,NA,NA,"Thapsigargin","thapsigargin",NA,"CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C(=C\C)/C)C(=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(=O)C)[C@@H]12)OC(=O)CCC)C","IXFPJGBNCFXKPI-FSIHEZPISA-N",446378,NA,"PDBC00093","299933","Present",NA,NA
+"94","Obatoclax","Obatoclax Mesylate",NA,NA,NA,NA,NA,NA,"obatoclax",NA,NA,NA,"Obatoclax Mesylate",NA,"Obatoclax","Obatoclax Mesylate",NA,NA,NA,NA,"Obatoclax","obatoclax",NA,NA,16681698,NA,"PDBC00094","744912///756663","Present",NA,NA
+"95","Bms-754807","BMS-754807",NA,NA,NA,NA,"BMS-754807",NA,"BMS-754807",NA,NA,NA,"BMS-754807",NA,"BMS-754807","BMS-754807","BMS-754807",NA,NA,NA,"BMS-754807","BMS-754807","CC1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F","LQVXSNNAFNGRAH-QHCPKHFHSA-N",24785538,NA,"PDBC00095","758243///799364","Present",NA,NA
+"96","Linsitinib","OSI-906",NA,NA,NA,NA,"linsitinib",NA,"linsitinib",NA,NA,NA,"Linsitinib",NA,"OSI-906","Linsitinib",NA,NA,NA,NA,"Linsitinib","linsitinib","CC1(CC(C1)C2=NC(=C3N2C=CN=C3N)C4=CC5=C(C=C4)C=CC(=N5)C6=CC=CC=C6)O","PKCDDUHJAFVJJB-UHFFFAOYSA-N",11640390,NA,"PDBC00096","756652///800784","Present",NA,NA
+"97","Bexarotene","Bexarotene",NA,NA,NA,NA,NA,NA,"bexarotene",NA,NA,NA,"Bexarotene",NA,NA,"Bexarotene","Bexarotene",NA,NA,NA,NA,"bexarotene","CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)O)C(CCC2(C)C)(C)C","NAVMQTYZDKMPEU-UHFFFAOYSA-N",82146,TRUE,"PDBC00097",NA,"Present","Bexarotene",NA
+"98","Bleomycin a2","Bleomycin",NA,NA,NA,NA,NA,NA,"bleomycin A2",NA,NA,NA,"Bleomycin///Bleomycin (50 uM)",NA,NA,"Bleomycin///Bleomycin (50 uM)///Bleomycin (10 uM)",NA,NA,NA,NA,"Bleomycin",NA,"CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O.OS(=O)(=O)[O-]","WUIABRMSWOKTOF-NUAMMRKQSA-N",5460769,TRUE,"PDBC00098","758612///125066","Present",NA,NA
+"99","Lfm-a13","LFM-A13",NA,NA,NA,NA,"LFM-A13",NA,NA,NA,NA,NA,"LFM-A13",NA,NA,"LFM-A13",NA,NA,NA,NA,NA,NA,"CC(=C(C#N)C(=O)NC1=C(C=CC(=C1)Br)Br)O","UVSVTDVJQAJIFG-VURMDHGXSA-N",54676905,NA,"PDBC00099",NA,"Present",NA,NA
+"100","Luminespib","AUY922",NA,NA,NA,NA,"NVP-AUY922",NA,NA,NA,NA,NA,"AUY922",NA,NA,"Luminespib",NA,NA,NA,NA,"Luminespib","NVP-AUY922","CCNC(=O)C1=C(C(=C2C=C(C(=CC2=O)O)C(C)C)ON1)C3=CC=C(C=C3)CN4CCOCC4","SWDZPNJZKUGIIH-QQTULTPQSA-N",10096043,NA,"PDBC00100","755762","Present",NA,NA
+"101","Bryostatin 1","Bryostatin 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bryostatin 1",NA,NA,"Bryostatin 1","Bryostatin 1",NA,NA,NA,"Bryostatin 1",NA,"CCCC=CC=CC(=O)OC1C(=CC(=O)OC)CC2CC(OC(=O)CC(CC3CC(C(C(O3)(CC4CC(=CC(=O)OC)CC(O4)C=CC(C1(O2)O)(C)C)O)(C)C)OC(=O)C)O)C(C)O","MJQUEDHRCUIRLF-KOWVOJLTSA-N",5477635,NA,"PDBC00101","339555","Present",NA,NA
+"102","Pazopanib","Pazopanib",NA,"pazopanib",NA,NA,NA,NA,"pazopanib",NA,NA,NA,"Pazopanib",NA,NA,"Pazopanib","Pazopanib","Pazopanib (GW786034)",NA,"Pazopanib","Pazopanib","pazopanib","CC1=C(C=C(C=C1)NC2=NC=CC(=N2)N(C)C3=CC4=NN(C(=C4C=C3)C)C)S(=O)(=O)N.Cl","MQHIQUBXFFAOMK-UHFFFAOYSA-N",11525740,TRUE,"PDBC00102","800839///752782///737754","Present","Pazopanib",NA
+"103","Dacinostat","LAQ824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LAQ824",NA,NA,"Dacinostat",NA,NA,NA,NA,NA,"dacinostat","C1=CC=C2C(=C1)C(=CN2)CCN(CCO)CC3=CC=C(C=C3)C=CC(=O)NO","BWDQBBCUWLSASG-MDZDMXLPSA-N",6445533,NA,"PDBC00103",NA,"Present",NA,NA
+"104","Epothilone B","Epothilone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epothilone B",NA,NA,"Epothilone B","Patupilone",NA,NA,NA,"Epothilone B","epothilone-b",NA,NA,448013,NA,"PDBC00104","684363","Present",NA,NA
+"105","GSK-1904529A","GSK-1904529A",NA,"GSK1904529",NA,NA,NA,NA,NA,NA,NA,NA,"GSK1904529A",NA,NA,"GSK1904529A",NA,"GSK-1904529A",NA,NA,"GSK-1904529A","GSK1904529A","CCC1=CC(=C(C=C1N2CCC(CC2)N3CCN(CC3)S(=O)(=O)C)OC)NC4=NC=CC(=N4)C5=C(N=C6N5C=CC=C6)C7=CC(=C(C=C7)OC)C(=O)NC8=C(C=CC=C8F)F","MOSKATHMXWSZTQ-UHFFFAOYSA-N",25124816,NA,"PDBC00105","767951","Present",NA,NA
+"106","Tipifarnib","Tipifarnib",NA,NA,NA,NA,"tipifarnib-P2///tipifarnib-P1",NA,"tipifarnib-P2///tipifarnib-P1",NA,NA,NA,"Tipifarnib",NA,"Tipifarnib","Tipifarnib","Tipifarnib",NA,NA,NA,"Tipifarnib","tipifarnib","CN1C=NC=C1C(C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N","PLHJCIYEEKOWNM-HHHXNRCGSA-N",159324,NA,"PDBC00106","760444","Present",NA,NA
+"107","AS601245","AS601245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS601245",NA,NA,"AS601245",NA,NA,NA,NA,NA,NA,"C1=CC=C2C(=C1)NC(=C(C#N)C3=NC(=NC=C3)NCCC4=CN=CC=C4)S2","AVLYNJZZQYEFEA-XDJHFCHBSA-N",11422035,NA,"PDBC00107",NA,"Present",NA,NA
+"108","AZ-628","AZ628",NA,NA,NA,NA,NA,NA,NA,"AZ-628",NA,NA,"AZ628",NA,NA,"AZ628",NA,NA,NA,NA,"AZ-628","AZ-628","CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(C)(C)C#N)NC3=CC4=C(C=C3)N=CN(C4=O)C","ZGBGPEDJXCYQPH-UHFFFAOYSA-N",11676786,NA,"PDBC00108","782007","Present",NA,NA
+"109","Sirolimus","Rapamycin",NA,NA,"Rapamycin",NA,"sirolimus","sirolimus","sirolimus","rapamycin",NA,NA,"Rapamycin","Sirolimus (rapamycin)","Rapamycin","Rapamycin",NA,"Rapamycin",NA,"Rapamycin",NA,"sirolimus","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC","QFJCIRLUMZQUOT-HPLJOQBZSA-N",5284616,NA,"PDBC00109",NA,"Present",NA,NA
+"110","Sorafenib","Sorafenib","Sorafenib",NA,"Sorafenib",NA,NA,NA,"sorafenib",NA,NA,"Sorafenib","Sorafenib",NA,"Sorafenib","Sorafenib","Sorafenib","Sorafenib",NA,"Sorafenib tosylate","Sorafenib","sorafenib","CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F","MLDQJTXFUGDVEO-UHFFFAOYSA-N",216239,TRUE,"PDBC00110","747971///800934///724772","Present","sorafenib",NA
+"111","Tozasertib","VX-680",NA,NA,"VX-680",NA,"tozasertib",NA,"VX-680",NA,NA,NA,"VX-680",NA,"Tosazertib","Tozasertib",NA,"Tozasertib (VX-680)",NA,NA,"Tozasertib","tozasertib","CC1=CC(=NN1)NC2=NC(=NC(=C2)N3CCN(CC3)C)SC4=CC=C(C=C4)NC(=O)C5CC5","GCIKSSRWRFVXBI-UHFFFAOYSA-N",5494449,NA,"PDBC00111","800955","Present",NA,NA
+"112","Imatinib","Imatinib",NA,NA,"Imatinib",NA,NA,"imatinib","imatinib",NA,NA,NA,"Imatinib",NA,"Imatinib","Imatinib","Imatinib","Imatinib",NA,"Imatinib","Imatinib","imatinib","CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5","KTUFNOKKBVMGRW-UHFFFAOYSA-N",5291,TRUE,"PDBC00112","743414","Present",NA,NA
+"113","Nvp-tae 684","NVP-TAE684","TAE684",NA,NA,NA,NA,NA,"NVP-TAE684",NA,NA,NA,"TAE684",NA,"NVP-TAE684","NVP-TAE684",NA,"NVP-TAE684",NA,NA,"TAE-684","NVP-TAE684","CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC","QQWUGDVOUVUTOY-UHFFFAOYSA-N",16038120,NA,"PDBC00113","764041","Present",NA,NA
+"114","Crizotinib","PF-02341066","PF-2341066",NA,"PF-2341066///Crizotinib","PF-2341066",NA,NA,"crizotinib","crizotinib///Crizotinib",NA,NA,"Crizotinib",NA,"Crizotinib","Crizotinib","Crizotinib","Crizotinib (PF-2341066)",NA,"Crizotinib  ","Crizotinib","crizotinib","CC(C1=C(C=C(C=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N","SCJHEFQWKWHQTO-GFCCVEGCSA-N",54613769,TRUE,"PDBC00114","800080///756645","Present","Crizotinib/PF2341066",NA
+"115","Saracatinib","AZD-0530","AZD0530",NA,NA,NA,NA,NA,"saracatinib",NA,NA,NA,"Saracatinib",NA,NA,"Saracatinib","Saracatinib","Saracatinib (AZD0530)",NA,NA,"Saracatinib","saracatinib","CN1CCN(CC1)CCOC2=CC(=C3C(=C2)N=CN=C3NC4=C(C=CC5=C4OCO5)Cl)OC6CCOCC6","OUKYUETWWIPKQR-UHFFFAOYSA-N",10302451,NA,"PDBC00115","758872///800878","Present",NA,NA
+"116","S-Trityl-L-cysteine","S-Trityl-L-cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Trityl-L-cysteine",NA,NA,"S-Trityl-L-cysteine","S-trityl-L-cysteine",NA,NA,NA,NA,NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)[O-])[NH3+]","DLMYFMLKORXJPO-FQEVSTJZSA-N",7058066,NA,"PDBC00116",NA,"Present",NA,NA
+"117","Z-LLNle-CHO","Z-LLNle-CHO",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z-LLNle-CHO",NA,NA,"Z-LLNle-CHO",NA,NA,NA,NA,"Z-Leu-Leu-Nle-CHO",NA,"CCCCC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1","RNPDUXVFGTULLP-ATTQYFOMSA-N",16760646,NA,"PDBC00117","744338","Present",NA,NA
+"118","Sunitinib","Sunitinib",NA,NA,"Sunitinib Malate",NA,NA,NA,"sunitinib",NA,NA,"Sunitinib","Sunitinib",NA,"Sunitinib","Sunitinib","Sunitinib","Sunitinib",NA,"Sunitinib Malate  ","Sunitinib","sunitinib","CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C","WINHZLLDWRZWRT-ATVHPVEESA-N",5329102,TRUE,"PDBC00118","750690///800937","Present","sunitinib",NA
+"119","Dasatinib","Dasatinib",NA,NA,NA,NA,NA,NA,"dasatinib","Dasatinib",NA,"Dasatinib","Dasatinib",NA,"Dasatinib","Dasatinib","Dasatinib","Dasatinib","Dasatinib","Dasatinib  ","Dasatinib","dasatinib","CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=NC(=NC(=C3)N4CCN(CC4)CCO)C","ZBNZXTGUTAYRHI-UHFFFAOYSA-N",3062316,TRUE,"PDBC00119","732517///800087///759877","Present",NA,NA
+"120","GNF-2","GNF-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-2",NA,NA,"GNF-2",NA,NA,NA,NA,NA,NA,"C1=CC(=CC(=C1)C(=O)N)C2=CC(=NC=N2)NC3=CC=C(C=C3)OC(F)(F)F","WEVYNIUIFUYDGI-UHFFFAOYSA-N",5311510,NA,"PDBC00120",NA,"Present",NA,NA
+"121","CGP-60474","CGP-60474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGP-60474",NA,NA,"CGP-60474",NA,NA,NA,NA,NA,NA,"C1=CC(=CC(=C1)Cl)NC2=NC=CC(=N2)C3=CC(=NC=C3)NCCCO","IYNDTACKOAXKBJ-UHFFFAOYSA-N",644215,NA,"PDBC00121",NA,"Present",NA,NA
+"122","CGP-082996","CGP-082996",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGP-082996",NA,NA,"CGP-082996",NA,NA,NA,NA,NA,NA,"CCNC1=NC(=NC(=C1)NC2CCC(CC2)O)NC3=CC4=C(C=C3)N(C=C4)CC5=CC=CC=C5","YVXCDLCJCIDFHE-UHFFFAOYSA-N",24825971,NA,"PDBC00122",NA,"Present",NA,NA
+"123","A-770041","A-770041",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-770041",NA,NA,"A-770041",NA,NA,NA,NA,NA,NA,"CC(=O)N1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NC(=O)C6=CC7=CC=CC=C7N6C)OC)C(=NC=N4)N","ZMNWFTYYYCSSTF-UHFFFAOYSA-N",9549184,NA,"PDBC00123",NA,"Present",NA,NA
+"124","WH-4-023","WH-4-023",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WH-4-023",NA,NA,"WH-4-023",NA,NA,NA,NA,NA,NA,"CC1=C(C(=CC=C1)C)OC(=O)N(C2=C(C=C(C=C2)OC)OC)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCN(CC5)C","NBTNHSGBRGTFJS-UHFFFAOYSA-N",11844351,NA,"PDBC00124",NA,"Present",NA,NA
+"125","WZ-1-84","WZ-1-84",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WZ-1-84",NA,NA,"WZ-1-84",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00125",NA,"Present",NA,NA
+"126","Pha-665752","PHA-665752","PHA-665752",NA,NA,NA,NA,"PHA-00665752",NA,NA,NA,NA,"PHA-665752",NA,"PHA 665752","PHA-665752",NA,"PHA-665752",NA,NA,"PHA-665752","PHA-665752","CC1=C(NC(=C1C(=O)N2CCCC2CN3CCCC3)C)C=C4C5=C(C=CC(=C5)S(=O)(=O)CC6=C(C=CC=C6Cl)Cl)NC4=O","OYONTEXKYJZFHA-SSHUPFPWSA-N",10461815,NA,"PDBC00126","766271","Present",NA,NA
+"127","BI-2536","BI-2536",NA,NA,NA,NA,"BI-2536",NA,"BI-2536",NA,NA,NA,"BI-2536",NA,"BI-2536","BI-2536","BI 2536","BI-2536",NA,NA,"BI-2536","BI-2536","CCC1C(=O)N(C2=CN=C(N=C2N1C3CCCC3)NC4=C(C=C(C=C4)C(=O)NC5CCN(CC5)C)OC)C","XQVVPGYIWAGRNI-JOCHJYFZSA-N",11364421,NA,"PDBC00127","755983///799359","Present","bivanib/BI2536",NA
+"128","Unii-40E3azg1MX","BMS-536924",NA,NA,NA,NA,"BMS-536924",NA,"BMS-536924",NA,NA,NA,"BMS-536924",NA,NA,"BMS-536924",NA,NA,NA,NA,NA,NA,"CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NCC(C4=CC(=CC=C4)Cl)O)N2)N5CCOCC5","UGQMURPIMYALPH-PZJQAWQVSA-N",10390396,NA,"PDBC00128",NA,"Present",NA,NA
+"129","Bms-509744","BMS-509744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-509744",NA,NA,"BMS-509744",NA,NA,NA,NA,NA,NA,"CC1=C(C=C(C(=C1)OC)C(=O)N2CCN(CC2)C(=O)C)SC3=CN=C(S3)NC(=O)C4=CC=C(C=C4)CNC(C)C(C)(C)C","ZHXNIYGJAOPMSO-UHFFFAOYSA-N",11467730,NA,"PDBC00129",NA,"Present",NA,NA
+"130","CMK","CMK",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CMK",NA,NA,"CMK",NA,NA,NA,NA,NA,NA,"CC1=C(C=CC(=C1)O)Cl","CFKMVGJGLGKFKI-UHFFFAOYSA-N",1732,NA,"PDBC00130",NA,"Present",NA,NA
+"131","Pyrimethamine","Pyrimethamine",NA,NA,NA,NA,NA,"pyrimethamine",NA,NA,NA,NA,"Pyrimethamine",NA,NA,"Pyrimethamine",NA,NA,NA,NA,"malacid","pyrimethamine","CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl","WKSAUQYGYAYLPV-UHFFFAOYSA-N",4993,TRUE,"PDBC00131","757306///3061","Present",NA,NA
+"132","JW-7-52-1","JW-7-52-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JW-7-52-1",NA,NA,"JW-7-52-1",NA,NA,NA,NA,NA,NA,"[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]","NTGFFEISRDRAST-UHFFFAOYSA-N",20822503,NA,"PDBC00132",NA,"Present",NA,NA
+"133","A-443654","A-443654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-443654",NA,NA,"A-443654",NA,NA,NA,NA,NA,NA,"CC1=C2C=C(C=CC2=NN1)C3=CC(=CN=C3)OCC(CC4=CNC5=CC=CC=C54)N","YWTBGJGMTBHQTM-IBGZPJMESA-N",10172943,NA,"PDBC00133",NA,"Present",NA,NA
+"134","GW843682X","GW843682X",NA,NA,"GW843682X",NA,"GW-843682X",NA,"GW-843682X",NA,NA,NA,"GW843682X",NA,NA,"GW843682X",NA,NA,NA,NA,"GW843682X","GW-843682X","COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4C(F)(F)F)OC","JSKUWFIZUALZLX-UHFFFAOYSA-N",9826308,NA,"PDBC00134","756404","Present",NA,NA
+"135","Entinostat","MS-275",NA,NA,NA,NA,NA,"MS-275","entinostat","ms275",NA,NA,"MS-275",NA,"MS-275","Entinostat","Entinostat",NA,NA,NA,"Entinostat","entinostat","C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC(=O)OCC3=CN=CC=C3","INVTYAOGFAGBOE-UHFFFAOYSA-N",4261,NA,"PDBC00135","706995///756642","Present",NA,NA
+"136","(-)-Parthenolide","Parthenolide",NA,NA,NA,NA,"parthenolide","parthenolide","parthenolide",NA,NA,NA,"Parthenolide",NA,NA,"Parthenolide",NA,NA,NA,"Parthenolide","Parthenolide","parthenolide///parthenolide-(-)","CC1=CCCC2(C(O2)C3C(CC1)C(=C)C(=O)O3)C","KTEXNACQROZXEV-ZRPLFPEYSA-N",5420804,NA,"PDBC00136","157035","Present",NA,NA
+"137","Z-Leu-leu-leu-al","MG-132",NA,NA,"MG-132///Z-Leu-Leu-Leu-al",NA,NA,"MG-132","MG-132",NA,NA,NA,"MG-132",NA,NA,"MG-132",NA,NA,NA,"MG-132","MG-132","MG-132","CC(C)CC(C=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1","TZYWCYJVHRLUCT-VABKMULXSA-N",462382,NA,"PDBC00137","782153","Present",NA,NA
+"138","KIN001-135","KIN001-135",NA,NA,NA,NA,NA,NA,"CAY10576",NA,NA,NA,"KIN001-135",NA,NA,"GSK319347A",NA,NA,NA,NA,NA,NA,"N#[In]","NWAIGJYBQQYSPW-UHFFFAOYSA-N",117560,NA,"PDBC00138",NA,"Present",NA,NA
+"139","TGX221","TGX221",NA,"TGX.221",NA,NA,NA,NA,"TGX-221","TGX-221",NA,NA,"TGX221",NA,NA,"TGX221",NA,NA,NA,NA,NA,NA,"CC1=CN2C(=O)C=C(N=C2C(=C1)C(C)NC3=CC=CC=C3)N4CCOCC4","CPRAGQJXBLMUEL-UHFFFAOYSA-N",9907093,NA,"PDBC00139",NA,"Present",NA,NA
+"140","Nvp-aew541",NA,"AEW541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AEW-541","NVP-AEW541","C1CN(C1)CC2CC(C2)N3C=C(C4=C3N=CN=C4N)C5=CC(=CC=C5)OCC6=CC=CC=C6","AECDBHGVIIRMOI-UHFFFAOYSA-N",11476171,NA,"PDBC00140","799326///767006","Present",NA,NA
+"141","Irinotecan",NA,"Irinotecan",NA,"CPT-11///CPT-11(FD)",NA,NA,"irinotecan",NA,"irinotecan",NA,NA,NA,NA,NA,"Irinotecan","Irinotecan",NA,NA,NA,"Irinotecan","irinotecan","CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)OC(=O)N6CCC(CC6)N7CCCCC7","UWKQSNNFCGGAFS-XIFFEERXSA-N",60838,TRUE,"PDBC00141","728073///759878///616348","Present",NA,NA
+"142","L-685458",NA,"L-685458",NA,NA,NA,"L-685458",NA,"L-685458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C)O","MURCDOXDAHPNRQ-ZJKZPDEISA-N",5479543,NA,"PDBC00142",NA,"Present",NA,NA
+"143","LBW242",NA,"LBW242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00143",NA,"Present",NA,NA
+"144","Panobinostat",NA,"Panobinostat",NA,"LBH589",NA,NA,NA,"LBH-589",NA,NA,NA,NA,NA,NA,"Panobinostat","Panobinostat","Panobinostat","Panobinostat",NA,"Panobinostat","panobinostat","CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)C=CC(=O)NO","FPOHNWQLNRZRFC-ZHACJKMWSA-N",6918837,TRUE,"PDBC00144","761190","Present",NA,NA
+"145","Raf265(chir-265)",NA,"RAF265",NA,NA,NA,NA,NA,"RAF265",NA,NA,NA,NA,NA,NA,NA,"RAF265","RAF265 (CHIR-265)",NA,NA,"RAF-265","RAF265","CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F","YABJJWZLRMPFSI-UHFFFAOYSA-N",11656518,NA,"PDBC00145","754357","Present",NA,NA
+"146","Dovitinib",NA,"TKI258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dovitinib",NA,NA,"Dovitinib (CHIR-258)",NA,NA,"Dovitinib","dovitinib","CN1CCN(CC1)C2=CC3=C(C=C2)NC(=C4C(=C5C(=NC4=O)C=CC=C5F)N)N3","KCOYQXZDFIIGCY-ZZEZOPTASA-N",9886808,NA,"PDBC00146","759661///800092","Present",NA,NA
+"147","Topotecan",NA,"Topotecan",NA,"Topotecan",NA,NA,NA,"topotecan",NA,NA,"Topotecan",NA,NA,"Topotecan","Topotecan","Topotecan",NA,NA,NA,"Topotecan","topotecan","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)[NH+]=C5C=CC(=C(C5=C4)CN(C)C)O)O.[Cl-]","DGHHQBMTXTWTJV-BQAIUKQQSA-N",11972519,TRUE,"PDBC00147","609699///759263","Present",NA,NA
+"148","Vandetanib",NA,"Vandetanib",NA,NA,NA,NA,NA,"vandetanib",NA,NA,NA,NA,NA,"Vandetanib",NA,"Vandetanib","Vandetanib (ZD6474)",NA,"Vandetanib","Vandetanib","vandetanib","CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC","UHTHHESEBZOYNR-UHFFFAOYSA-N",3081361,TRUE,"PDBC00148","800961///760766","Present",NA,NA
+"149","GSK1139710",NA,NA,"GSK1139710",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00149",NA,"Absent",NA,NA
+"150","Trametinib",NA,NA,"GSK1120212","GSK1120212///private_company_drug_3560",NA,NA,NA,"trametinib",NA,NA,NA,"Trametinib",NA,"GSK1120212","Trametinib",NA,"Trametinib (GSK1120212)","Trametinib (MEK1/2 inhibitor)",NA,"Trametinib","trametinib","CC1=C2C(=C(N(C1=O)C)NC3=C(C=C(C=C3)I)F)C(=O)N(C(=O)N2C4=CC(=CC=C4)NC(=O)C)C5CC5","LIRYPHYGHXZJBZ-UHFFFAOYSA-N",11707110,NA,"PDBC00150","800956///758246","Present",NA,NA
+"151","GSK1070916",NA,NA,"GSK1070916","GSK1070916///private_company_drug_2220",NA,NA,NA,NA,NA,NA,NA,"GSK1070916",NA,NA,"GSK1070916",NA,NA,NA,NA,"GSK-1070916","GSK1070916","CCN1C=C(C(=N1)C2=CC=C(C=C2)NC(=O)N(C)C)C3=C4C=C(NC4=NC=C3)C5=CC(=CC=C5)CN(C)C","QTBWCSQGBMPECM-UHFFFAOYSA-N",46885626,NA,"PDBC00151","800108///777445","Present",NA,NA
+"152","GSK923295",NA,NA,"GSK923295","GSK923295///private_company_drug_8461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-295","GSK923295","CC(C)OC1=C(C=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)C3=CN4C=CC=C(C4=N3)C(C)O)CNC(=O)CN(C)C)Cl","WHMXDBPHBVLYRC-OFVILXPXSA-N",46898058,NA,"PDBC00152","789041","Present",NA,NA
+"153","Gsk-690693",NA,NA,"GSK690693",NA,NA,NA,NA,NA,NA,NA,NA,"GSK690693",NA,"GSK690693","GSK690693",NA,"GSK690693",NA,NA,"GSK-690693",NA,"CCN1C2=C(C(=NC=C2OCC3CCCNC3)C#CC(C)(C)O)N=C1C4=NON=C4N","KGPGFQWBCSZGEL-ZDUSSCGKSA-N",16725726,NA,"PDBC00153","766991","Present",NA,NA
+"154","GSK1059615",NA,NA,"GSK1059615","GSK1059615",NA,NA,NA,"GSK1059615",NA,NA,NA,NA,NA,NA,"GSK1059615",NA,NA,NA,NA,"GSK-1059615",NA,"C1=CC2=NC=CC(=C2C=C1C=C3C(=O)NC(=O)S3)C4=CC=NC=C4","QDITZBLZQQZVEE-YBEGLDIGSA-N",23582824,NA,"PDBC00154","801012","Present",NA,NA
+"155","Gsk-461364",NA,NA,"GSK461364","GSK461364///private_company_drug_8437",NA,NA,NA,"GSK461364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-461364","GSK461364","CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)CN5CCN(CC5)C)C(=O)N","ZHJGWYRLJUCMRT-QGZVFWFLSA-N",15983966,NA,"PDBC00155","754354///800111","Present",NA,NA
+"156","GSK661637",NA,NA,"GSK661637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00156",NA,"Absent",NA,NA
+"157","Foretinib",NA,NA,"foretinib",NA,NA,NA,NA,"foretinib",NA,NA,NA,"Foretinib",NA,"Foretinib","Foretinib",NA,"Foretinib (XL880)",NA,NA,"Foretinib","foretinib","COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F","CXQHYVUVSFXTMY-UHFFFAOYSA-N",42642645,NA,"PDBC00157","755775///800101","Present",NA,NA
+"158","GSK1838705",NA,NA,"GSK1838705","GSK1838705///private_company_drug_2931",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00158",NA,"Present",NA,NA
+"159","Perifosine",NA,NA,"perifosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Perifosine",NA,"CCCCCCCCCCCCCCCCCCOP(=O)([O-])OC1CC[N+](CC1)(C)C","SZFPYBIJACMNJV-UHFFFAOYSA-N",148177,NA,"PDBC00159","800842///639966","Present",NA,NA
+"160","PQIP",NA,NA,"PQIP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCN(CC1)C2CC(C2)C3=NC(=C4N3C=CN=C4N)C5=CC6=C(C=C5)C=CC(=N6)C7=CC=CC=C7","PDJARQSWGDDFHH-UHFFFAOYSA-N",16214946,NA,"PDBC00160",NA,"Absent",NA,NA
+"161","2-Pyridinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Picolinici-acid",NA,NA,NA,NA,"o-pyridinecarboxylic acid","picolinic-acid","C1=CC=NC(=C1)C(=O)O","SIOXPEMLGUPBBT-UHFFFAOYSA-N",1018,NA,"PDBC00161","171","Present",NA,NA
+"162","5-Amino-1,4-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,"8-azaguanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azaguanine-8",NA,NA,"C12=NNNC1=NC(=NC2=O)N","LPXQRXLUHJKZIE-UHFFFAOYSA-N",8646,NA,"PDBC00162",NA,"Absent",NA,NA
+"163","7H-Purine-6-thiol, 2-amino-",NA,NA,NA,NA,NA,NA,"tioguanine",NA,NA,NA,NA,NA,"Thioguanine",NA,NA,NA,NA,NA,"Thioguanine","6-THIOGUANINE///6-Thioguanine","thioguanine///tioguanine","C1=NC2=C(N1)C(=S)N=C(N2)N","WYWHKKSPHMUBEB-UHFFFAOYSA-N",2723601,NA,"PDBC00163","752///757348","Present",NA,NA
+"164","7H-Purine-6-thiol",NA,NA,NA,NA,NA,NA,"mercaptopurine",NA,NA,NA,NA,NA,"Mercaptopurine",NA,NA,NA,NA,NA,NA,"6-Mercaptopurine///6-MERCAPTOPURINE","mercaptopurine","C1=NC2=C(N1)C(=S)N=CN2","GLVAUDGFNGKCSF-UHFFFAOYSA-N",667490,NA,"PDBC00164","759614///755","Present",NA,NA
+"165","colchicine",NA,NA,NA,NA,NA,NA,"colchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colchicine","COLCHICINE///Colchicine","colchicine","CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","IAKHMKGGTNLKSZ-INIZCTEOSA-N",6167,NA,"PDBC00165","756702///757","Present",NA,NA
+"166","nuelin",NA,NA,NA,NA,NA,NA,"theophylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Theophylline monohydrate","nuelin","theophylline","CN1C2=C(C(=O)N(C1=O)C)NC=N2","ZFXYFBGIUFBOJW-UHFFFAOYSA-N",2153,NA,"PDBC00166","2066","Present",NA,NA
+"167","Dichloroacetic acid",NA,NA,NA,"Sodium Dichloroacetate",NA,"dichloroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: qvygg",NA,"C(C(=O)O)(Cl)Cl","JXTHNDFMNIQAHM-UHFFFAOYSA-N",6597,NA,"PDBC00167","2654","Present",NA,NA
+"168","Fumagillol",NA,NA,NA,NA,NA,"fumagillol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gelcohol",NA,"CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)O)OC)C","CEVCTNCUIVEQOY-JQOWZUPLSA-N",222778,NA,"PDBC00168","9665","Present",NA,NA
+"169","Dexamethasone",NA,NA,NA,NA,NA,"dexamethasone","dexamethasone","dexamethasone",NA,NA,"Dexamethasone",NA,NA,NA,NA,NA,NA,NA,NA,"Dexamethasone Decadron",NA,"CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C","UREBDLICKHMUKA-CXSFZGCWSA-N",5743,TRUE,"PDBC00169","34521","Present",NA,NA
+"170","[2-(4-Chlorophenyl)-4-quinolinyl](2-piperidinyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vakuinol-1","(2-(4-chlorophenyl)quinolin-4-yl)(piperidin-2-yl)methanol",NA,"C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)O","VKLJPGAHSLIQKH-UHFFFAOYSA-N",224644,NA,"PDBC00170","13316","Present",NA,NA
+"171","Trifluoperazine",NA,NA,NA,NA,NA,"trifluoperazine","trifluoperazine","trifluoperazine",NA,NA,NA,NA,NA,"Trifluoperazine",NA,NA,NA,NA,"Trifluoperazine dihydrochloride",NA,NA,"CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F","ZEWQUBUPAILYHI-UHFFFAOYSA-N",5566,TRUE,"PDBC00171",NA,"Present",NA,NA
+"172","NSC19630",NA,NA,NA,NA,NA,NA,NA,"NSC19630",NA,NA,NA,NA,NA,NA,"MIRA-1",NA,NA,NA,NA,"(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl propionate///MIRA-1",NA,"CCC(=O)OCN1C(=O)C=CC1=O","YXEWPGYLMHXLPS-UHFFFAOYSA-N",227681,NA,"PDBC00172","19630///758772","Present",NA,NA
+"173","5-Fluorouracil",NA,NA,NA,"5-FU",NA,NA,NA,"fluorouracil","5-FU",NA,"5-Fluorouracil","5-Fluorouracil","5-Fluorouracil","5-Fluorouracil","5-Fluorouracil",NA,NA,NA,NA,"Fluorouracil","5-fluorouracil","C1=C(C(=O)NC(=O)N1)F","GHASVSINZRGABV-UHFFFAOYSA-N",3385,NA,"PDBC00173","757036///19893","Present",NA,NA
+"174","NSC23766",NA,NA,NA,NA,NA,"NSC23766",NA,"NSC23766",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC-23766","CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C2)N=C(C=C3N)C)C","DEFBCZWQLILOJF-UHFFFAOYSA-N",409805,NA,"PDBC00174",NA,"Present",NA,NA
+"175","Disulfiram",NA,NA,NA,"Disulfiram",NA,NA,"disulfiram///Prestwick-1082",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Disulfiram","disulfiram","CCN(CC)C(=S)SSC(=S)N(CC)CC","AUZONCFQVSMFAP-UHFFFAOYSA-N",3117,TRUE,"PDBC00175","25953","Present",NA,NA
+"176","Rotenone",NA,NA,NA,NA,NA,"rotenone","rotenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cube",NA,"CC(=C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC","JUVIOZPCNVVQFO-HBGVWJBISA-N",6758,NA,"PDBC00176","26258","Present",NA,NA
+"177","Cyclophosphamide",NA,NA,NA,NA,NA,NA,NA,"cyclophosphamide",NA,NA,NA,NA,"Cyclophosphamide",NA,"Cyclophosphamide",NA,NA,NA,NA,"Cyclophosphamide","cyclophosphamide","C1CNP(=O)(OC1)N(CCCl)CCCl","CMSMOCZEIVJLDB-UHFFFAOYSA-N",2907,TRUE,"PDBC00177","26271","Present",NA,NA
+"178","Aspirin",NA,NA,NA,NA,NA,"aspirin","acetylsalicylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"xaxa","aspirin","CC(=O)OC1=CC=CC=C1C(=O)O","BSYNRYMUTXBXSQ-UHFFFAOYSA-N",2244,TRUE,"PDBC00178","27223","Present",NA,NA
+"179","NSC30930",NA,NA,NA,NA,NA,NA,NA,"NSC30930",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC49096///2-Indolecarboxylic acid, 5-(benzyloxy)-",NA,"C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3)C(=O)O","MVCLSAMNMAWXFQ-UHFFFAOYSA-N",81146,NA,"PDBC00179","49096///30930","Present",NA,NA
+"180","Curcumin",NA,NA,NA,NA,NA,"curcumin",NA,"curcumin",NA,NA,NA,NA,NA,"Curcumin",NA,NA,NA,NA,NA,"Curcumin","curcumin","COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O","VFLDPWHFBUODDF-FCXRPNKRSA-N",969516,NA,"PDBC00180","32982","Present",NA,NA
+"181","Podophyllotoxin bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Podophyllotoxin bromide",NA,NA,NA,NA,"Podophyllotoxin acetate///Podophyllotoxin bromide",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)Br","VNDCSULMOTZMNT-KSRYTWCQSA-N",234820,NA,"PDBC00181","36408///35468","Present",NA,NA
+"182","3-aminobenzamide",NA,NA,NA,NA,NA,"3-aminobenzamide","3-aminobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m-Aminobenzamide","3-amino-benzamide","C1=CC(=CC(=C1)N)C(=O)N","GSCPDZHWVNUUFI-UHFFFAOYSA-N",1645,NA,"PDBC00182","36962","Present",NA,NA
+"183","NSC48300",NA,NA,NA,NA,NA,NA,NA,"NSC48300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-48300",NA,"C1=CC(=CC=C1CC2=CC=C(C=C2)[As](=O)(O)O)[As](=O)(O)O","LONYFCOVHHQLGM-UHFFFAOYSA-N",241158,NA,"PDBC00183","48300","Present",NA,NA
+"184","Dihydrorotenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydrorotenone",NA,NA,NA,NA,"Dihydrorotenone",NA,"CC(C)C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC","DTFARBHXORYQBF-HBGVWJBISA-N",243725,NA,"PDBC00184","53866","Present",NA,NA
+"185","Brefeldin A",NA,NA,NA,NA,NA,"brefeldin A",NA,"brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lunatin","brefeldin-a","CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","KQNZDYYTLMIZCT-KQPMLPITSA-N",5287620,NA,"PDBC00185","89671///56310","Present",NA,NA
+"186","Gossypol",NA,NA,NA,NA,NA,"gossypol","gossypol","gossypol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+/-)-gossypol///(+)-Gossypol","gossypol","CC1=C(C(=C2C(=C1)C(=C(C(=C2C=O)O)O)C(C)C)O)C3=C(C=C4C(=C3O)C(=C(C(=C4C(C)C)O)O)C=O)C","QBKSWRVVCFFDOT-UHFFFAOYSA-N",3503,NA,"PDBC00186","56817///728875","Present",NA,NA
+"187","Acetalax",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetalax",NA,NA,NA,NA,"Acetalax",NA,"CC(=O)OC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OC(=O)C","PHPUXYRXPHEJDF-UHFFFAOYSA-N",8269,NA,"PDBC00187","59687///117186","Present",NA,NA
+"188","Homatropine",NA,NA,NA,NA,NA,NA,"homatropine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homatropine",NA,"CN1C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O","ZTVIKZXZYLEVOL-UHFFFAOYSA-N",3623,NA,"PDBC00188","60600","Present",NA,NA
+"189","2-bromopyruvate",NA,NA,NA,NA,NA,"2-bromopyruvate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(C(=O)C(=O)[O-])Br","PRRZDZJYSJLDBS-UHFFFAOYSA-M",6994776,NA,"PDBC00189",NA,"Absent",NA,NA
+"190","GANT-58",NA,NA,NA,NA,NA,"GANT-58",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 4,4',4'',4'''-(2,3,4,5-thiophenetetrayl)tetrak...",NA,"C1=CN=CC=C1C2=C(SC(=C2C3=CC=NC=C3)C4=CC=NC=C4)C5=CC=NC=C5","USWLOKMMUTWFMD-UHFFFAOYSA-N",253078,NA,"PDBC00190","75503","Present",NA,NA
+"191","1,9-Pyrazoloanthrone",NA,NA,NA,NA,NA,NA,NA,"pyrazolanthrone",NA,NA,NA,NA,NA,"JNK Inhibitor II",NA,NA,NA,NA,NA,"1,9-Pyrazoleanthrone///pyrazolanthrone",NA,"C1=CC=C2C(=C1)C3=NNC4=CC=CC(=C43)C2=O","ACPOUJIDANTYHO-UHFFFAOYSA-N",8515,NA,"PDBC00191","755773///75890","Present",NA,NA
+"192","Valproic acid",NA,NA,NA,"Valproic acid",NA,NA,"valproic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ergenyl",NA,"CCCC(CCC)C(=O)O","NIJJYAXOARWZEE-UHFFFAOYSA-N",3121,TRUE,"PDBC00192","93819","Present",NA,NA
+"193","NSC95397",NA,NA,NA,NA,NA,"NSC95397",NA,"NSC95397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 2,3-bis[(2-hydroxyethyl)thio]-",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)SCCO)SCCO","MAASHDQFQDDECQ-UHFFFAOYSA-N",262093,NA,"PDBC00193","95397","Present",NA,NA
+"194","Haloprogin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Haloprogin","Haloprogin",NA,"C1=C(C(=CC(=C1Cl)Cl)Cl)OCC#CI","CTETYYAZBPJBHE-UHFFFAOYSA-N",3561,NA,"PDBC00194","100071","Present",NA,NA
+"195","Cytochalasin B",NA,NA,NA,NA,NA,"cytochalasin B","cytochalasin B","cytochalasin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytochalasin B","cytochalasin-b","CC1CCCC(C=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O)O","GBOGMAARMMDZGR-TYHYBEHESA-N",5311281,NA,"PDBC00195","107658","Present",NA,NA
+"196","Cucurbitacin I",NA,NA,NA,NA,NA,NA,NA,"cucurbitacin I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"elatericin b",NA,"CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C","NISPVUDLMHQFRQ-MKIKIEMVSA-N",5281321,NA,"PDBC00196","112167///521777","Present",NA,NA
+"197","Epirubicin",NA,NA,NA,"Epirubicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epirubicin",NA,NA,NA,NA,"Epirubicin","epirubicin","CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)N)O","AOJJSUZBOXZQNB-VTZDEGQISA-N",41867,TRUE,"PDBC00197","759195///256942","Present",NA,NA
+"198","Cerulenin",NA,NA,NA,NA,NA,"cerulenin",NA,"cerulenin",NA,NA,NA,NA,NA,"Cerulenin",NA,NA,NA,NA,NA,"Cerulenin",NA,"CC=CCC=CCCC(=O)C1C(O1)C(=O)N","GVEZIHKRYBHEFX-NQQPLRFYSA-N",5282054,NA,"PDBC00198","764755///116069","Present",NA,NA
+"199","Kinetin riboside",NA,NA,NA,NA,NA,"kinetin riboside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kinetin riboside",NA,"C1=COC(=C1)CNC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O","CAGLGYNQQSIUGX-UHFFFAOYSA-N",3832,NA,"PDBC00199","120958","Present",NA,NA
+"200","Geldanamycin",NA,NA,NA,"Geldanamycin",NA,NA,"geldanamycin",NA,NA,NA,"Geldanamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC","QTQAWLPCGQOSGP-KSRBKZBZSA-N",5288382,NA,"PDBC00200",NA,"Present",NA,NA
+"201","Teniposide",NA,NA,NA,NA,NA,"teniposide",NA,"teniposide",NA,NA,NA,NA,NA,NA,"Teniposide",NA,NA,NA,"Teniposide","Teniposide","teniposide","COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CS8)O)O","NRUKOCRGYNPUPR-QBPJDGROSA-N",452548,TRUE,"PDBC00201","758255///122819///758667","Present",NA,NA
+"202","Butyl 4-aminobenzoate",NA,NA,NA,NA,NA,NA,"butamben",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"butesin","butamben","CCCCOC(=O)C1=CC=C(C=C1)N","IUWVALYLNVXWKX-UHFFFAOYSA-N",2482,NA,"PDBC00202","128464","Present",NA,NA
+"203","Cephalotaxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homoharringtonine",NA,NA,NA,NA,"Homoharringtonine","cephalotaxine",NA,"COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1O)OCO5","YMNCVRSYJBNGLD-UHFFFAOYSA-N",278679,NA,"PDBC00203","128487","Present",NA,NA
+"204","ICRF-193",NA,NA,NA,"ICRF-193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","OBYGAPWKTPDTAS-UHFFFAOYSA-N",115150,NA,"PDBC00204",NA,"Present",NA,NA
+"205","Fosfomycin",NA,NA,NA,NA,NA,"fosfomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1C(O1)P(=O)(O)O","YMDXZJFXQJVXBF-STHAYSLISA-N",446987,TRUE,"PDBC00205",NA,"Absent",NA,NA
+"206","GANT-61",NA,NA,NA,NA,NA,NA,NA,"GANT-61",NA,NA,NA,NA,NA,"GANT61",NA,NA,NA,NA,NA,"GANT61",NA,"CN(C)C1=CC=CC=C1CN2CCCN(C2C3=CC=NC=C3)CC4=CC=CC=C4N(C)C","KVQOGDQTWWCZFX-UHFFFAOYSA-N",421610,NA,"PDBC00206","136476","Present",NA,NA
+"207","Triciribine",NA,NA,NA,"Triciribine///API-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triciribine","triciribine","CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)CO)O)O)C(=N1)N","HOGVTUZUJGHKPL-HTVVRFAVSA-N",65399,NA,"PDBC00207","154020","Present",NA,NA
+"208","Triptolide",NA,NA,NA,NA,NA,"triptolide",NA,"triptolide",NA,NA,NA,NA,NA,"Triptolide",NA,NA,NA,NA,"Triptolide","Triptolid","triptolide","CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2O)O7)COC6=O)C","DFBIRQPKNDILPW-CIVMWXNOSA-N",107985,NA,"PDBC00208","163062","Present",NA,NA
+"209","Mebendazole",NA,NA,NA,"Mebendazole",NA,NA,"mebendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mebendazole","Mebendazole","mebendazole","COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3","OPXLLQIJSORQAM-UHFFFAOYSA-N",4030,TRUE,"PDBC00209","184849///757838","Present",NA,NA
+"210","Parbendazole",NA,NA,NA,NA,NA,"parbendazole","parbendazole","parbendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"helatac","parbendazole","CCCCC1=CC2=C(C=C1)N=C(N2)NC(=O)OC","YRWLZFXJFBZBEY-UHFFFAOYSA-N",26596,NA,"PDBC00210","256420","Present",NA,NA
+"211","Idarubicin",NA,NA,NA,NA,NA,"idarubicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Idarubicin","Idarubicin","idarubicin","CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O","XDXDZDZNSLXDNA-TZNDIEGXSA-N",42890,TRUE,"PDBC00211","256439","Present",NA,NA
+"212","Narciclasine",NA,NA,NA,NA,NA,"narciclasine",NA,"narciclasine","Narciclasine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"narciclasine",NA,"C1OC2=C(O1)C(=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O)O","LZAZURSABQIKGB-AEKGRLRDSA-N",72376,NA,"PDBC00212","266535","Present",NA,NA
+"213","Simvastatin",NA,NA,NA,NA,NA,"simvastatin","simvastatin","simvastatin",NA,NA,NA,NA,NA,"Simvastatin",NA,NA,NA,NA,NA,"Simvastatin","simvastatin","CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C","RYMZZMVNJRMUDD-HGQWONQESA-N",54454,TRUE,"PDBC00213","633782///758706","Present",NA,NA
+"214","Prima-1",NA,NA,NA,NA,NA,"PRIMA-1",NA,"PRIMA-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prima-1",NA,"C1CN2CCC1C(=O)C2(CO)CO","RFBVBRVVOPAAFS-UHFFFAOYSA-N",322968,NA,"PDBC00214","281668","Present",NA,NA
+"215","Cyclosporin A",NA,NA,NA,NA,NA,"ciclosporin","ciclosporin","ciclosporin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclosporin A","NSC290193///NSC758194","cyclosporine///cyclosporin-a","CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C","PMATZTZNYRCHOR-IMVLJIQESA-N",5280754,NA,"PDBC00215","290193///758194","Present",NA,NA
+"216","3',5-Diallyl-2,4'-biphenyldiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HONOKIOL","HONOKIOL",NA,"C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C","FVYXIJYOAGAUQK-UHFFFAOYSA-N",72303,NA,"PDBC00216","293100","Present",NA,NA
+"217","Terreic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Terreic acid","Terreic acid",NA,"CC1=C(C(=O)C2C(C1=O)O2)O","ATFNSNUJZOYXFC-RQJHMYQMSA-N",91437,NA,"PDBC00217","294734","Present",NA,NA
+"218","Zebularine",NA,NA,NA,NA,NA,"zebularine",NA,"zebularine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zebularine",NA,"C1=CN(C(=O)N=C1)C2C(C(C(O2)CO)O)O","RPQZTTQVRYEKCR-JXMHAVLCSA-N",16760709,NA,"PDBC00218","309132","Present",NA,NA
+"219","NSC-319726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC319726",NA,NA,NA,NA,"Azetidinecarbothioic acid, [1-(2-pyridinyl)ethylidene] h...","NSC-319726","CC(=NNC(=S)N1CCC1)C2=CC=CC=N2","XDHBUMNIQRLHGO-UKTHLTGXSA-N",5351307,NA,"PDBC00219","319726","Present",NA,NA
+"220","Eflornithine",NA,NA,NA,NA,NA,"eflornithine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dfmo hcl",NA,"C(CC(C(F)F)(C(=O)O)N)CN","VLCYCQAOQCDTCN-UHFFFAOYSA-N",3009,TRUE,"PDBC00220","337250","Present",NA,NA
+"221","Temozolomide",NA,NA,NA,NA,NA,NA,NA,"temozolomide",NA,NA,"Temozolomide","Temozolomide","Temozolomide",NA,"Temozolomide",NA,NA,NA,"Temozolomide","Temozolomide","temozolomide","CN1C(=O)N2C=NC(=C2N=N1)C(=O)N","BPEGJWRSRHCHSN-UHFFFAOYSA-N",5394,TRUE,"PDBC00221","362856","Present","temozolomide",NA
+"222","Fostamatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piceatannol","NSC800102///Fostamatinib",NA,"CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)(O)O)C","GKDRMWXFWHEQQT-UHFFFAOYSA-N",11671467,NA,"PDBC00222","800102///365798","Present",NA,NA
+"223","N-Phthalyl-L-tryptophan",NA,NA,NA,NA,NA,"RG-108",NA,"RG-108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RG-108///2-Isoindolineacetic acid, .alpha.-(3-indolylmethyl)-1,3-...","RG108","C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CNC4=CC=CC=C43)C(=O)O","HPTXLHAHLXOAKV-UHFFFAOYSA-N",344265,NA,"PDBC00223","783334///401077","Present",NA,NA
+"224","1,3-Bis(2-chloroethyl)-1-nitrosourea",NA,NA,NA,NA,NA,NA,"carmustine",NA,NA,NA,NA,NA,NA,NA,"Carmustine",NA,NA,NA,NA,"Carmustine","carmustine","C(CCl)NC(=O)N(CCCl)N=O","DLGOEMSEDOSKAD-UHFFFAOYSA-N",2578,NA,"PDBC00224","409962","Present",NA,NA
+"225","Gallibiscoquinazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gallibiscoquinazole",NA,NA,NA,NA,"Gallibiscoquinazole",NA,"COC1=C(C(=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC)OC","LZHVHZJESCMXKN-UHFFFAOYSA-N",353472,NA,"PDBC00225","601853","Present",NA,NA
+"226","AM-580",NA,NA,NA,NA,NA,"AM-580",NA,"AM-580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid,  4((5',5',8',8'-tetramethyl-5',6',7',8'-te...","AM-580","CC1(CCC(C2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=O)O)(C)C)C","SZWKGOZKRMMLAJ-UHFFFAOYSA-N",2126,NA,"PDBC00226","608001","Present",NA,NA
+"227","Ch-55",NA,NA,NA,NA,NA,NA,NA,"Ch-55",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Di-tert-butylchalcone",NA,"CC(C)(C)C1=CC(=CC(=C1)C(=O)C=CC2=CC=C(C=C2)C(=O)O)C(C)(C)C","FOUVTBKPJRMLPE-FMIVXFBMSA-N",6184667,NA,"PDBC00227","608002","Present",NA,NA
+"228","Fascaplysine",NA,NA,NA,"Fascaplysin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fascaplysine",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=[N+](C=C3)C5=CC=CC=C5C4=O","WYQIPCUPNMRAKP-UHFFFAOYSA-O",73293,NA,"PDBC00228","622398","Present",NA,NA
+"229","Fumonisin B(1)",NA,NA,NA,NA,NA,"fumonisin B1",NA,"fumonisin B1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fumonisin B1",NA,"CCCCC(C)C(C(CC(C)CC(CCCCC(CC(C(C)N)O)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O","UVBUBMSSQKOIBE-UHFFFAOYSA-N",3431,NA,"PDBC00229","629151","Present",NA,NA
+"230","NSC632839",NA,NA,NA,NA,NA,"NSC632839",NA,"NSC632839",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis[(4-methylphenyl)methylene]-, hyd...","NSC-632839","CC1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)C)C2=O.Cl","ZOKZLTXPTLIWOJ-BYCVLTJGSA-N",5351362,NA,"PDBC00230","632839","Present",NA,NA
+"231","o6-Benzylguanine",NA,NA,NA,NA,NA,NA,NA,"O-6-benzylguanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-6-Benzylguanine",NA,"C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N","KRWMERLEINMZFT-UHFFFAOYSA-N",4578,NA,"PDBC00231","637037","Present",NA,NA
+"232","quinoclamine",NA,NA,NA,NA,NA,"quinoclamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanedioic acid, 2-[[2-[(3-chloro-1,4-dihydro-1,4-dioxo...",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)N","OBLNWSCLAYSJJR-UHFFFAOYSA-N",17748,NA,"PDBC00232","642009","Present",NA,NA
+"233","Rita",NA,NA,NA,NA,NA,"RITA",NA,"RITA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RITA","SOS BISMETHANOL","RITA","C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)CO)CO","KZENBFUSKMWCJF-UHFFFAOYSA-N",374536,TRUE,"PDBC00233","652287","Present",NA,NA
+"234","Isoliquiritigenin",NA,NA,NA,NA,NA,"isoliquiritigenin","butein","isoliquiritigenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O","DXDRHHKMWQZJHT-FPYGCLRLSA-N",638278,NA,"PDBC00234",NA,"Present",NA,NA
+"235","CHM-1",NA,NA,NA,NA,NA,"CHM-1",NA,"CHM-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(2-fluorophenyl)-",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CC=C4F","ZMYDAPJHGNEFGQ-UHFFFAOYSA-N",375860,NA,"PDBC00235","656158","Present",NA,NA
+"236","NSC663284",NA,NA,NA,"NSC663284",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-N-(Aminoethyl-4-morpholino)-6-chloro-5,8-quinolinedione","NSC-663284","C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl","BMKPVDQDJQWBPD-UHFFFAOYSA-N",379077,NA,"PDBC00236","663284","Present",NA,NA
+"237","Kenpaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kenpaullone","Kenpaullone","kenpaullone","C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br","QQUXFYAWXPMDOE-UHFFFAOYSA-N",3820,NA,"PDBC00237","664704","Present",NA,NA
+"238","5-[(2,5-Dihydroxybenzyl)amino]-2-hydroxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-(2,5-dihydroxybenzylamino)benzoic acid","Lavendustin c",NA,"C1=CC(=C(C=C1NCC2=C(C=CC(=C2)O)O)C(=O)O)O","LULATDWLDJOKCX-UHFFFAOYSA-N",3896,NA,"PDBC00238","666251","Present",NA,NA
+"239","SN-38",NA,NA,NA,NA,NA,"SN-38",NA,"SN-38",NA,NA,"SN-38","SN-38","SN-38 (irinotecan metabolite)","SN-38","SN-38",NA,NA,NA,NA,"7-Ethyl-10-hydroxycamptothecin","SN-38","CCC1=C2C=C(C=CC2=NC3=C1CN4C3=CC5=C(C4=O)COC(=O)C5(CC)O)O","FJHBVJOVLFPMQE-QFIPXVFZSA-N",104842,NA,"PDBC00239","673596","Present",NA,NA
+"240","PD98059",NA,NA,NA,"PD98059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PD-98059","PD-98059","COC1=CC=CC(=C1N)C2=CC(=O)C3=CC=CC=C3O2","QFWCYNPOPKQOKV-UHFFFAOYSA-N",4713,NA,"PDBC00240","679828","Present",NA,NA
+"241","AG1478",NA,NA,NA,"AG1478",NA,"tyrphostin AG-1478","tyrphostin AG-1478",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tyrphostin AG 1478","tyrphostin-AG-1478","COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC","GFNNBHLJANVSQV-UHFFFAOYSA-N",2051,NA,"PDBC00241","693255","Present",NA,NA
+"242","Benzamide, 2-(acetyloxy)-N-(5-nitro-2-thiazolyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NITAZOXANIDE","Nitazoxanide///nitazoxanide",NA,"CC(=O)OC1=CC=CC=C1C(=O)NC2=NC=C(S2)[N+](=O)[O-]","YQNQNVDNTFHQSW-UHFFFAOYSA-N",41684,NA,"PDBC00242","697855///760057","Present",NA,NA
+"243","Pemetrexed",NA,NA,NA,"Pemetrexed",NA,"pemetrexed",NA,NA,NA,NA,NA,NA,NA,"Pemetrexed","Pemetrexed",NA,NA,NA,NA,"Pemetrexed",NA,"C1=CC(=CC=C1CCC2=CNC3=C2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O)C(=O)O","WBXPDJSOTKVWSJ-ZDUSSCGKSA-N",446556,TRUE,"PDBC00243","698037///755384","Present",NA,NA
+"244","Austocystin D",NA,NA,NA,NA,NA,"austocystin D",NA,"austocystin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Austocystin D",NA,"CC(C)(CCC1=C2C(=C(C=C1)O)C(=O)C3=C(C4=C(C=C3O2)OC5C4(C=CO5)O)O)O","VXTQFTUOAJRUDO-IFMALSPDSA-N",5470400,NA,"PDBC00244","700893","Present",NA,NA
+"245","Bardoxolone methyl",NA,NA,NA,NA,NA,NA,NA,"bardoxolone methyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid///Bardoxolone Methyl","bardoxolone-methyl///bardoxolone","CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)OC)C","WPTTVJLTNAWYAO-KPOXMGGZSA-N",400769,NA,"PDBC00245","711193///713200","Present",NA,NA
+"246","Oligomycin A",NA,NA,NA,NA,NA,"oligomycin A","oligomycin","oligomycin A","Oligomycin A///OligomycinA",NA,NA,NA,NA,"Oligomycin A",NA,NA,NA,NA,NA,"Oligomycin A","oligomycin-a","CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C","MNULEGDCPYONBU-QECWTJOCSA-N",5472285,NA,"PDBC00246","717694","Present",NA,NA
+"247","1-methyl-DL-tryptophan",NA,NA,NA,NA,NA,"1-methyl-DL-tryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N","ZADWXFSZEAPBJS-UHFFFAOYSA-N",98112,NA,"PDBC00247",NA,"Absent",NA,NA
+"248","Belinostat",NA,NA,NA,NA,NA,NA,NA,"belinostat",NA,NA,NA,"Belinostat",NA,NA,"Belinostat",NA,NA,NA,NA,"Belinostat","belinostat","C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C=CC(=O)NO","NCNRHFGMJRPRSK-MDZDMXLPSA-N",6918638,TRUE,"PDBC00248","758774///726630","Present",NA,NA
+"249","Baicalein",NA,NA,NA,"Baicalein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,7-Trihydroxyflavone","baicalein","C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O)O)O","FXNFHKRTJBSTCS-UHFFFAOYSA-N",5281605,NA,"PDBC00249","729192","Present",NA,NA
+"250","Everolimus",NA,NA,NA,"Everolimus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Everolimus (rad 001) mTOR inh","Everolimus  ","Everolimus","everolimus","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OCCO)C)C)O)OC)C)C)C)OC","HKVAMNSJSFKALM-GKUWKFKPSA-N",6442177,TRUE,"PDBC00250","733504","Present","everolimus",NA
+"251","Sildenafil",NA,NA,NA,NA,NA,"sildenafil",NA,"sildenafil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sildenafil",NA,"CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C","BNRNXUUZRGQAQC-UHFFFAOYSA-N",5212,TRUE,"PDBC00251","744009","Present",NA,NA
+"252","Chaetocin",NA,NA,NA,NA,NA,"chaetocin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chaetocin from Chaetomium minutum",NA,"CN1C(=O)C23CC4(C(N2C(=O)C1(SS3)CO)NC5=CC=CC=C54)C67CC89C(=O)N(C(C(=O)N8C6NC1=CC=CC=C71)(SS9)CO)C","PZPPOCZWRGNKIR-UHFFFAOYSA-N",161591,NA,"PDBC00252","745363","Present",NA,NA
+"253","Pyr-41",NA,NA,NA,NA,NA,NA,NA,"PYR-41",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyr-41",NA,"CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)N2","ARGIPZKQJGFSGQ-LCYFTJDESA-N",5335621,NA,"PDBC00253","746131","Present",NA,NA
+"254","LDN-193189",NA,NA,NA,NA,NA,"LDN-193189",NA,NA,NA,NA,NA,NA,NA,NA,"LDN-193189",NA,NA,NA,NA,NA,NA,"C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3","CDOVNWNANFFLFJ-UHFFFAOYSA-N",25195294,NA,"PDBC00254",NA,"Present",NA,NA
+"255","Ixabepilone",NA,NA,NA,"Ixabepilone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ixabepilone","ixabepilone","CC1CCCC2(C(O2)CC(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C","FABUFPQFXZVHFB-PVYNADRNSA-N",6445540,TRUE,"PDBC00255","747973","Present",NA,NA
+"256","Abiraterone",NA,NA,NA,NA,NA,NA,NA,"abiraterone",NA,NA,NA,NA,"Abiraterone",NA,NA,NA,NA,NA,NA,"Abiraterone","abiraterone///abiraterone-acetate","CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)O","GZOSMCIZMLWJML-VJLLXTKPSA-N",132971,TRUE,"PDBC00256","749226///749227","Present",NA,NA
+"257","CAY10618",NA,NA,NA,NA,NA,"CAY10618",NA,"CAY10618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GPP78",NA,"C1=CC=C(C=C1)C2=CC=CC=C2NC(=O)CCCCCCCN3C=C(N=N3)C4=CN=CC=C4","SJOLTIOPWDLDEB-UHFFFAOYSA-N",44819697,NA,"PDBC00257","750421","Present",NA,NA
+"258","nakiterpiosin",NA,NA,NA,NA,NA,"nakiterpiosin",NA,"nakiterpiosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nakiterpiosin",NA,"CC1CC(OC1=O)C(C(C2=C(C3=C(C=C2)C4CC(C56C(OCC(O5)CC6(C4C3=O)C)O)Br)C)C(Cl)Cl)O","ZZCVHHDIBFSYFY-JMQRXBQWSA-N",54613361,NA,"PDBC00258","750491","Present",NA,NA
+"259","Nelarabine",NA,NA,NA,NA,NA,NA,NA,"nelarabine",NA,NA,NA,NA,NA,NA,"Nelarabine",NA,NA,NA,NA,"Nelarabine","nelarabine","COC1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N","IXOXBSCIXZEQEQ-UHTZMRCNSA-N",3011155,TRUE,"PDBC00259","755985///686673","Present",NA,NA
+"260","Methyl (5-propoxy-1H-benzimidazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxibendazol","oxibendazole (usan)","oxibendazole","CCCOC1=CC2=C(C=C1)N=C(N2)NC(=O)OC","RAOCRURYZCVHMG-UHFFFAOYSA-N",4622,NA,"PDBC00260","758459","Present",NA,NA
+"261","Penfluridol",NA,NA,NA,NA,NA,"penfluridol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"penfluridol (usan)","penfluridol","C1CN(CCC1(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F","MDLAAYDRRZXJIF-UHFFFAOYSA-N",33630,NA,"PDBC00261","759179","Present",NA,NA
+"262","Vemurafenib",NA,NA,NA,NA,NA,NA,NA,"PLX-4032",NA,NA,NA,NA,"Vemurafenib","PLX4032",NA,NA,"Vemurafenib (PLX-4032)",NA,"Vemurafenib  ","Vemurafenib","vemurafenib","CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=NC=C(C=C23)C4=CC=C(C=C4)Cl)F","GPXBXXGIAQBQNI-UHFFFAOYSA-N",42611257,NA,"PDBC00262","761431///800964","Present",NA,NA
+"263","Carboplatinum",NA,NA,NA,"Carboplatin",NA,NA,NA,"carboplatin",NA,NA,NA,NA,NA,"Carboplatin",NA,NA,NA,NA,"Carboplatin  ",NA,NA,NA,NA,38904,TRUE,"PDBC00263",NA,"Present",NA,NA
+"264","Oxaliplatin",NA,NA,NA,"Oxaliplatin",NA,NA,NA,"oxaliplatin",NA,NA,"Oxaliplatin",NA,NA,"Oxaliplatin","Oxaliplatin",NA,NA,NA,NA,"Oxaliplatin","oxaliplatin","C1CCC(C(C1)N)N.C(=O)(C(=O)[O-])[O-].[Pt+4]","PCRKGXHIGVOZKB-BNTLRKBRSA-L",24197464,TRUE,"PDBC00264","266046","Present",NA,NA
+"265","Tamoxifen",NA,NA,NA,"Tamoxifen",NA,"tamoxifen","tamoxifen","tamoxifen",NA,NA,NA,"Tamoxifen",NA,NA,"Tamoxifen",NA,NA,NA,"Tamoxifen citrate","Tamoxifen","tamoxifen","[H+].[H+].[H+].CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O","FQZYTYWMLGAPFJ-OQKDUQJOSA-N",25010734,TRUE,"PDBC00265","180973///757345","Present",NA,NA
+"266","Trichostatin.A",NA,NA,NA,"Trichostatin A",NA,NA,"trichostatin A",NA,NA,NA,NA,NA,NA,NA,"Trichostatin A",NA,NA,NA,NA,NA,"trichostatin-a","CC(\C=C(C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C","RTKIYFITIVXBLE-WKWSCTOISA-N",NA,NA,"PDBC00266",NA,"Present",NA,NA
+"267","Purvalanol A",NA,NA,NA,"Purvalanol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c3ncn(C(C)C)c3n1",NA,456214,NA,"PDBC00267",NA,"Present",NA,NA
+"268","IKK.16",NA,NA,NA,"IKK 16",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IKK-16","O=C(N1CCC(CC1)N2CCCC2)c3ccc(Nc4nccc(n4)c5cc6ccccc6s5)cc3",NA,NA,NA,"PDBC00268",NA,"Present",NA,NA
+"269","TCS PIM-11",NA,NA,NA,"TCS PIM-11",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,1235170,NA,"PDBC00269",NA,"Present",NA,NA
+"270","ERKi II (FR180304)",NA,NA,NA,"ERKi II (FR180304)///ERKi II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00270",NA,"Present",NA,NA
+"271","L-779405",NA,NA,NA,"L-779405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)O","WXJLXRNWMLWVFB-UHFFFAOYSA-N",9950176,NA,"PDBC00271",NA,"Absent",NA,NA
+"272","Glycyl H1152",NA,NA,NA,"Glycyl H1152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00272",NA,"Present",NA,NA
+"273","XRP44X",NA,NA,NA,"XRP44X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=NN(C(=C1)C(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=CC=C4","NPHPNBGYPKBDDB-UHFFFAOYSA-N",10339779,NA,"PDBC00273",NA,"Present",NA,NA
+"274","TCS2312 dihydrochloride",NA,NA,NA,"TCS2312 dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00274",NA,"Present",NA,NA
+"275","Sigma AKT1-2 inhibitor",NA,NA,NA,"Sigma AKT1-2 inhibitor///AKT1-2 inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00275",NA,"Present",NA,NA
+"276","AS-252424",NA,NA,NA,"AS-252424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC(=C(C=C1F)O)C2=CC=C(O2)C=C3C(=O)NC(=O)S3","OYYVWNDMOQPMGE-SDQBBNPISA-N",11630874,NA,"PDBC00276",NA,"Present",NA,NA
+"277","FTase Inhibitor I",NA,NA,NA,"FTase inhibitor I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,132887,NA,"PDBC00277",NA,"Present",NA,NA
+"278","Ibandronate sodium",NA,NA,NA,"Ibandronate sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,23670359,NA,"PDBC00278",NA,"Present",NA,NA
+"279","SB-3CT",NA,NA,NA,"SB-3CT",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1C(S1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3","LSONWRHLFZYHIN-UHFFFAOYSA-N",9883002,NA,"PDBC00279",NA,"Present",NA,NA
+"280","NU6102",NA,NA,NA,"NU6102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N","OWXORKPNCHJYOF-UHFFFAOYSA-N",4566,NA,"PDBC00280",NA,"Present",NA,NA
+"281","Olomoucine II",NA,NA,NA,"Olomoucine II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"olomoucine II, 6-[(2-hydroxybenzyl)amino]-2-[1-(hydroxym...",NA,NA,NA,10067756,NA,"PDBC00281","736738","Present",NA,NA
+"282","Oxamflatin",NA,NA,NA,"Oxamflatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC=CC(=O)NO","QRPSQQUYPMFERG-LFYBBSHMSA-N",5353852,NA,"PDBC00282",NA,"Present",NA,NA
+"283","Nirogacestat",NA,NA,NA,"PF-3084014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-03084014 diastereomer 1",NA,"CCCC(C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)NC2CCC3=CC(=CC(=C3C2)F)F","VFCRKLWBYMDAED-REWPJTCUSA-N",46224413,NA,"PDBC00283","755926///754348","Present",NA,NA
+"284","PF-03814735",NA,NA,NA,"PF-3814735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-03814735","CC(=O)NCC(=O)N1C2CCC1C3=C2C=CC(=C3)NC4=NC=C(C(=N4)NC5CCC5)C(F)(F)F","RYYNGWLOYLRZLK-UHFFFAOYSA-N",49830590,NA,"PDBC00284",NA,"Present",NA,NA
+"285","PF-04691502",NA,NA,NA,"PF-4691502",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-04691502","PF-04691502","CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCC(CC3)OCCO)C4=CN=C(C=C4)OC","XDLYKKIQACFMJG-UHFFFAOYSA-N",25033539,NA,"PDBC00285","760536///800846","Present",NA,NA
+"286","Uprosertib",NA,NA,NA,"GSK2141795",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uprosertib",NA,NA,NA,NA,"GSK-2141795///Uprosertib","uprosertib","CN1C(=C(C=N1)Cl)C2=C(OC(=C2)C(=O)NC(CC3=CC(=C(C=C3)F)F)CN)Cl","AXTAPYRUEKNRBA-JTQLQIEISA-N",51042438,NA,"PDBC00286","778368///800960","Present",NA,NA
+"287","CGC-11047 free base",NA,NA,NA,"CGC-11047///private_company_drug_8648",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCNCCCNCC=CCNCCCNCC","XFWLTFZLLXVKDY-WAYWQWQTSA-N",6475492,NA,"PDBC00287",NA,"Present",NA,NA
+"288","Ispinesib",NA,NA,NA,"Ispinesib///private_company_drug_7463",NA,NA,NA,NA,NA,NA,NA,"Ispinesib Mesylate",NA,NA,"Ispinesib Mesylate",NA,NA,NA,NA,"Ispinesib","ispinesib","CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C(C)C","QJZRFPJCWMNVAV-HHHXNRCGSA-N",6851740,NA,"PDBC00288","755386","Present",NA,NA
+"289","GSK1059868",NA,NA,NA,"GSK1059868",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00289",NA,"Absent",NA,NA
+"290","GSK2119563",NA,NA,NA,"GSK2119563",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00290",NA,"Absent",NA,NA
+"291","Omipalisib",NA,NA,NA,"GSK2126458///private_company_drug_8271",NA,NA,NA,NA,NA,NA,NA,"GSK2126458",NA,NA,"Omipalisib",NA,NA,NA,NA,"Omipalisib///GSK-2126458","GSK2126458","COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C4=CN=NC=C4)NS(=O)(=O)C5=C(C=C(C=C5)F)F","CGBJSGAELGCMKE-UHFFFAOYSA-N",25167777,NA,"PDBC00291","800807///764092","Present",NA,NA
+"292","CGC-11144",NA,NA,NA,"CGC-11144",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCNCCCCNCCCCNCCCCNCCCCNCC=CCNCCCCNCCCCNCCCCNCCCCNCC","BDTMNIXVRYGYPA-QURGRASLSA-N",6476700,NA,"PDBC00292",NA,"Absent",NA,NA
+"293","Tykerb:IGF1R (1:1)",NA,NA,NA,"Tykerb:IGF1R (1:1)///Tykerb:IGF1R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00293",NA,"Absent",NA,NA
+"294","Pevonedistat",NA,NA,NA,"MLN4924///private_company_drug_3104",NA,"MLN-4924",NA,"pevonedistat",NA,NA,NA,"MLN4924",NA,"MLN-4924","Pevonedistat",NA,NA,NA,NA,"Pevonedistat","pevonedistat","C1CC2=CC=CC=C2C1NC3=NC=NC4=C3C=CN4C5CC(C(C5)O)COS(=O)(=O)N","MPUQHZXIXSTTDU-ZIODWWTISA-N",71729979,NA,"PDBC00294","761192","Present",NA,NA
+"295","PD901",NA,NA,NA,NA,"PD901",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00295",NA,"Absent",NA,NA
+"296","Apitolisib",NA,NA,NA,NA,"GDC-0980",NA,NA,NA,NA,NA,NA,NA,NA,NA,"Apitolisib",NA,NA,NA,NA,"Apitolisib","GDC-0980","CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)CN5CCN(CC5)C(=O)C(C)O","YOVVNQKCSKSHKT-HNNXBMFYSA-N",25254071,NA,"PDBC00296","764091///799334","Present",NA,NA
+"297","Cobimetinib",NA,NA,NA,NA,"GDC-0973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cobimetinib///Cobimetinib (isomer 1)","cobimetinib","C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O","BSMCAPRUBJMWDF-KRWDZBQOSA-N",16222096,NA,"PDBC00297","800075///768068","Present",NA,NA
+"298","Importazole",NA,NA,NA,NA,NA,"importazole",NA,"importazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(Nc1nc(nc2ccccc12)N3CCCC3)c4ccccc4",NA,2949965,NA,"PDBC00298",NA,"Present",NA,NA
+"299","trans-C 75",NA,NA,NA,NA,NA,"trans-C 75",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,6482234,NA,"PDBC00299",NA,"Absent",NA,NA
+"300","Maraviroc",NA,NA,NA,NA,NA,"maraviroc",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C","GSNHKUDZZFZSJB-HLMSNRGBSA-N",3002977,TRUE,"PDBC00300",NA,"Absent",NA,NA
+"301","DL-TBOA",NA,NA,NA,NA,NA,"DL-TBOA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC=C(C=C1)COC(C(C(=O)O)N)C(=O)O","BYOBCYXURWDEDS-UHFFFAOYSA-N",4133412,NA,"PDBC00301",NA,"Absent",NA,NA
+"302","Orteronel",NA,NA,NA,NA,NA,"orteronel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Orteronel",NA,"CNC(=O)C1=CC2=C(C=C1)C=C(C=C2)C3(CCN4C3=CN=C4)O","OZPFIJIOIVJZMN-SFHVURJKSA-N",9796590,NA,"PDBC00302","764488","Present",NA,NA
+"303","ML037",NA,NA,NA,NA,NA,"ML037",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)C1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC5=CC=CC=C5N2","AGQNVTZMIXEHKC-UHFFFAOYSA-N",2878746,NA,"PDBC00303",NA,"Absent",NA,NA
+"304","Bax Channel Blocker",NA,NA,NA,NA,NA,"Bax channel blocker",NA,"Bax channel blocker",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(CN1CCNCC1)Cn2c3ccc(Br)cc3c4cc(Br)ccc24",NA,2729026,NA,"PDBC00304",NA,"Present",NA,NA
+"305","CCT036477",NA,NA,NA,NA,NA,"CCT036477",NA,"CCT036477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=C(C2=CC=CC=C2N1)C(C3=CC=C(C=C3)Cl)NC4=CC=CC=N4","IFOHRIXRQPOHQZ-UHFFFAOYSA-N",3634881,NA,"PDBC00305",NA,"Present",NA,NA
+"306","BRD4354",NA,NA,NA,NA,NA,"BRD4354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,3516032,NA,"PDBC00306",NA,"Absent",NA,NA
+"307","Erastin",NA,NA,NA,NA,NA,"erastin","erastin","erastin","Erastin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"erastin","CCOC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N4CCN(CC4)C(=O)COC5=CC=C(C=C5)Cl","BKQFRNYHFIQEKN-UHFFFAOYSA-N",11214940,NA,"PDBC00307",NA,"Present",NA,NA
+"308","Unii-772CP7W12N",NA,NA,NA,NA,NA,"YM-022",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CC(=CC=C1)NC(=O)NC2C(=O)N(C3=CC=CC=C3C(=N2)C4=CC=CC=C4)CC(=O)C5=CC=CC=C5C","YCXFHPUBGMMWJQ-PMERELPUSA-N",122130,NA,"PDBC00308",NA,"Absent",NA,NA
+"309","OSW-1",NA,NA,NA,NA,NA,"OSW-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)CCC(=O)C(C)C1(C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)C)O","MPXTYZZFIJTPPA-MKQTXCTDSA-N",9854230,NA,"PDBC00309",NA,"Absent",NA,NA
+"310","racemic-2,4-dideoxy-DC-45-A2",NA,NA,NA,NA,NA,"racemic-2,4-dideoxy-DC-45-A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00310",NA,"Absent",NA,NA
+"311","Itraconazole",NA,NA,NA,NA,NA,"itraconazole",NA,"itraconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Itraconazole","itraconazole","CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl","VHVPQPYKVGDNFY-TUJWMRSMSA-N",14179013,TRUE,"PDBC00311","754771","Present",NA,NA
+"312","ML162",NA,NA,NA,NA,NA,"ML162",NA,"ML162",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC1=C(C=C(C=C1)N(C(C2=CC=CS2)C(=O)NCCC3=CC=CC=C3)C(=O)CCl)Cl","UNVKYJSNMVDZJE-UHFFFAOYSA-N",3689413,NA,"PDBC00312",NA,"Present",NA,NA
+"313","necrostatin-1",NA,NA,NA,NA,NA,"necrostatin-1",NA,"necrostatin-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32","TXUWMXQFNYDOEZ-UHFFFAOYSA-N",2828334,NA,"PDBC00313",NA,"Present",NA,NA
+"314","PK-11195",NA,NA,NA,NA,NA,"PK-11195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(C)N(C)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl","RAVIZVQZGXBOQO-UHFFFAOYSA-N",1345,NA,"PDBC00314",NA,"Absent",NA,NA
+"315","Zileuton",NA,NA,NA,NA,NA,"zileuton",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O","MWLSOWXNZPKENC-UHFFFAOYSA-N",60490,TRUE,"PDBC00315",NA,"Absent",NA,NA
+"316","PX-12",NA,NA,NA,NA,NA,"PX-12",NA,"PX-12",NA,NA,NA,NA,NA,"PX-12",NA,NA,NA,NA,NA,NA,NA,"CCC(C)SSC1=NC=CN1","BPBPYQWMFCTCNG-UHFFFAOYSA-N",219104,NA,"PDBC00316",NA,"Present",NA,NA
+"317","ethylidene glucose",NA,NA,NA,NA,NA,"ethylidene glucose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,93075,NA,"PDBC00317",NA,"Absent",NA,NA
+"318","Nimodipine",NA,NA,NA,NA,NA,"nimodipine","nimodipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCOC","UIAGMCDKSXEBJQ-UHFFFAOYSA-N",4497,TRUE,"PDBC00318",NA,"Absent",NA,NA
+"319","YK 4-279",NA,NA,NA,NA,NA,"YK 4-279",NA,"YK 4-279",NA,NA,NA,"YK 4-279",NA,NA,"YK-4-279",NA,NA,NA,NA,"YK-4-279",NA,"COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl",NA,NA,NA,"PDBC00319","765436","Present",NA,NA
+"320","salermide",NA,NA,NA,NA,NA,"salermide",NA,"salermide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)NC=C3C(=O)C=CC4=CC=CC=C43","UADRPWLRVLBVBC-UHFFFAOYSA-N",53393948,NA,"PDBC00320",NA,"Present",NA,NA
+"321","Isoevodiamine",NA,NA,NA,NA,NA,"isoevodiamine",NA,"isoevodiamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3","TXDUTHBFYKGSAH-UHFFFAOYSA-N",151289,NA,"PDBC00321",NA,"Present",NA,NA
+"322","Lovastatin acid",NA,NA,NA,NA,NA,"lovastatin acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,64727,NA,"PDBC00322",NA,"Absent",NA,NA
+"323","Glu-boroPro",NA,NA,NA,NA,NA,"PT-630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P","XYFCBTPGUUZFHI-UHFFFAOYSA-N",24404,NA,"PDBC00323",NA,"Absent",NA,NA
+"324","2-deoxyglucose",NA,NA,NA,"2-deoxy-D-glucose",NA,"2-deoxyglucose","2-deoxy-D-glucose",NA,NA,NA,NA,NA,NA,"2-deoxy-glucose",NA,NA,NA,NA,NA,NA,NA,"C(C=O)C(C(C(CO)O)O)O","VRYALKFFQXWPIH-PBXRRBTRSA-N",108223,NA,"PDBC00324",NA,"Present",NA,NA
+"325","erastin-A8",NA,NA,NA,NA,NA,"erastin-A8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00325",NA,"Absent",NA,NA
+"326","Compound 44",NA,NA,NA,NA,NA,"Compound 44",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00326",NA,"Absent",NA,NA
+"327","Blebbistatin",NA,NA,NA,NA,NA,"blebbistatin","blebbistatin","blebbistatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"blebbistatin-(-)","CC1=CC2=C(C=C1)N=C3C(C2=O)(CCN3C4=CC=CC=C4)O","LZAXPYOBKSJSEX-UHFFFAOYSA-N",3476986,NA,"PDBC00327",NA,"Present",NA,NA
+"328","Myriocin",NA,NA,NA,NA,NA,"myriocin",NA,"myriocin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCCC(=O)CCCCCCC=CCC(C(C(CO)(C(=O)[O-])[NH3+])O)O","ZZIKIHCNFWXKDY-OZKYFCMZSA-N",25791047,NA,"PDBC00328",NA,"Present",NA,NA
+"329","ML050",NA,NA,NA,NA,NA,"ML050",NA,"ML050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1C=CC2C1C(NC3=CC=CC=C23)C4=CC5=C(C=C4Br)OCO5","YOLTZIVRJAPVPH-UHFFFAOYSA-N",3136844,NA,"PDBC00329",NA,"Present",NA,NA
+"330","ML038",NA,NA,NA,NA,NA,"ML038",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1C=CCC2C1C(=O)N(C2=O)C3=NNC(=N3)C4=CC=CC=C4","MIQGMTKINBACMG-UHFFFAOYSA-N",2946732,NA,"PDBC00330",NA,"Absent",NA,NA
+"331","FQI-1",NA,NA,NA,NA,NA,"FQI-1",NA,"FQI-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC1=CC=CC=C1C2CC(=O)NC3=CC4=C(C=C23)OCO4","YKSYGLXHLSPWLB-UHFFFAOYSA-N",656346,NA,"PDBC00331",NA,"Present",NA,NA
+"332","2-Fluoropalmitic acid",NA,NA,NA,NA,NA,"2-fluoropalmitic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCCCCCCCCCCC(F)C(=O)O",NA,1560,NA,"PDBC00332",NA,"Absent",NA,NA
+"333","Rosiglitazone",NA,NA,NA,NA,NA,"rosiglitazone","rosiglitazone",NA,NA,NA,NA,NA,NA,"Rosiglitazone",NA,NA,NA,NA,NA,NA,NA,"CN(CCOC1=CC=C(C=C1)CC2C(=O)NC(=O)S2)C3=CC=CC=N3","YASAKCUCGLMORW-UHFFFAOYSA-N",77999,TRUE,"PDBC00333",NA,"Absent",NA,NA
+"334","cyanoquinoline 11",NA,NA,NA,NA,NA,"cyanoquinoline 11",NA,"cyanoquinoline 11",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fc1ccc(Nc2c(cnc3c(Cl)cc(NCc4cnc[nH]4)cc23)C#N)cc1Cl",NA,NA,NA,"PDBC00334",NA,"Present",NA,NA
+"335","AG14361",NA,NA,NA,NA,NA,"AG14361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-14361","CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O","SEKJSSBJKFLZIT-UHFFFAOYSA-N",9840076,NA,"PDBC00335",NA,"Present",NA,NA
+"336","Tubastatin A",NA,NA,NA,NA,NA,"tubastatin A",NA,"tubastatin A",NA,NA,NA,"Tubastatin A",NA,NA,"Tubastatin A",NA,NA,NA,NA,NA,NA,"CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO",NA,49850262,NA,"PDBC00336",NA,"Present",NA,NA
+"337","Sparfosic acid",NA,NA,NA,NA,NA,"sparfosic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)C[C@H](NC(=O)CP(O)(O)=O)C(O)=O",NA,39981,NA,"PDBC00337",NA,"Absent",NA,NA
+"338","3-Fluoro-2-oxopropanoic acid",NA,NA,NA,NA,NA,"fluoropyruvate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(C(=O)C(=O)O)F","CXABZTLXNODUTD-UHFFFAOYSA-N",67946,NA,"PDBC00338",NA,"Absent",NA,NA
+"339","RS-23597-190",NA,NA,NA,NA,NA,"RS-23597-190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC1=CC(=C(C=C1C(=O)OCCCN2CCCCC2)Cl)N.Cl","QLZLBYYNMGQIAR-UHFFFAOYSA-N",182592,NA,"PDBC00339",NA,"Absent",NA,NA
+"340","ML210",NA,NA,NA,NA,NA,"ML210",NA,"ML210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00340",NA,"Present",NA,NA
+"341","3-chloro-L-alanine",NA,NA,NA,NA,NA,"3-chloro-L-alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(C(C(=O)O)N)Cl","ASBJGPTTYPEMLP-REOHCLBHSA-N",439772,NA,"PDBC00341",NA,"Absent",NA,NA
+"342","BMS-299897",NA,NA,NA,NA,NA,"BMS-299897",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-299897",NA,"CC(C1=C(C=C(C=C1)F)CCCC(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl","IZAOBRWCUGOKNH-OAHLLOKOSA-N",11249248,NA,"PDBC00342","762672","Present",NA,NA
+"343","Compound 110",NA,NA,NA,NA,NA,"Compound 110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00343",NA,"Absent",NA,NA
+"344","7-nitroindazole",NA,NA,NA,NA,NA,"7-nitroindazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-nitroindazole","C1=CC2=C(C(=C1)[N+](=O)[O-])NN=C2","PQCAUHUKTBHUSA-UHFFFAOYSA-N",1893,NA,"PDBC00344",NA,"Present",NA,NA
+"345","Merck60",NA,NA,NA,NA,NA,"Merck60",NA,"Merck60",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)Nc1ccc(cc1)C(=O)Nc2cc(ccc2N)c3cccs3",NA,NA,NA,"PDBC00345",NA,"Present",NA,NA
+"346","BIBR-1532",NA,NA,NA,NA,NA,"BIBR-1532",NA,"BIBR-1532",NA,NA,NA,NA,NA,NA,"BIBR-1532",NA,NA,NA,NA,NA,"BIBR-1532","CC(=CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC3=CC=CC=C3C=C2","PGFQXGLPJUCTOI-WYMLVPIESA-N",9927531,NA,"PDBC00346",NA,"Present",NA,NA
+"347","CIL41",NA,NA,NA,NA,NA,"CIL41",NA,"CIL41",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00347",NA,"Present",NA,NA
+"348","ML030",NA,NA,NA,NA,NA,"ML030",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,17757146,NA,"PDBC00348",NA,"Absent",NA,NA
+"349","HA 1004, Dihydrochloride",NA,NA,NA,NA,NA,"HA-1004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC2=C(C=CN=C2)C(=C1)S(=O)(=O)NCCN=C(N)N","MZNDNBFMSVMUCX-UHFFFAOYSA-N",3546,NA,"PDBC00349",NA,"Absent",NA,NA
+"350","BRD9647",NA,NA,NA,NA,NA,"BRD9647",NA,"BRD9647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,1242560,NA,"PDBC00350",NA,"Present",NA,NA
+"351","PDMP",NA,NA,NA,NA,NA,"PDMP",NA,"PDMP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCCCCCC(=O)NC(CN1CCOCC1)C(C)C2=CC=CC=C2.Cl","XYHOHWPFEWJKOG-UHFFFAOYSA-N",114736,NA,"PDBC00351",NA,"Present",NA,NA
+"352","Ubistatin B",NA,NA,NA,NA,NA,"ubistatin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,44145497,NA,"PDBC00352",NA,"Absent",NA,NA
+"353","LE-135",NA,NA,NA,NA,NA,"LE-135",NA,"LE-135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LE-135","CC1(CCC(C2=CC3=C(C=C21)N=C(C4=CC=CC=C4N3C)C5=CC=C(C=C5)C(=O)O)(C)C)C","YZZAIQOVMHVWBS-UHFFFAOYSA-N",10410894,NA,"PDBC00353",NA,"Present",NA,NA
+"354","Alda-1",NA,NA,NA,NA,NA,"Alda-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=CC=C3Cl)Cl","NMKJFZCBCIUYHI-UHFFFAOYSA-N",831629,NA,"PDBC00354",NA,"Absent",NA,NA
+"355","AA-COCF3",NA,NA,NA,NA,NA,"AA-COCF3","arachidonyltrifluoromethane","AA-COCF3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCC=CCC=CCC=CCC=CCCCC(=O)C(F)(F)F","PLWROONZUDKYKG-DOFZRALJSA-N",5280436,NA,"PDBC00355",NA,"Present",NA,NA
+"356","BRD1566",NA,NA,NA,NA,NA,"BRD1566",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,44484545,NA,"PDBC00356",NA,"Absent",NA,NA
+"357","SID 26681509",NA,NA,NA,NA,NA,"SID 26681509",NA,"SID 26681509",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCc1ccccc1NC(=O)CSC(=O)NNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C",NA,16725315,NA,"PDBC00357",NA,"Present",NA,NA
+"358","Tacrolimus",NA,NA,NA,NA,NA,"tacrolimus","tacrolimus","tacrolimus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tacrolimus","tacrolimus","CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC","QJJXYPPXXYFBGM-LFZNUXCKSA-N",445643,TRUE,"PDBC00358","755767","Present",NA,NA
+"359","KU 0060648",NA,NA,NA,NA,NA,"KU 0060648",NA,"KU 0060648",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1CCN(CC(=O)Nc2ccc(-c3cccc4c3oc(cc4=O)N3CCOCC3)c3sc4ccccc4c23)CC1",NA,NA,NA,"PDBC00359",NA,"Present",NA,NA
+"360","m-3M3-FBS",NA,NA,NA,NA,NA,"m-3M3-FBS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)NC2=CC=CC(=C2)C(F)(F)F)C","ZIIUUSVHCHPIQD-UHFFFAOYSA-N",761523,NA,"PDBC00360",NA,"Absent",NA,NA
+"361","FGIN-1-27",NA,NA,NA,NA,NA,"FGIN-1-27",NA,"FGIN-1-27",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F","VUWXAQFLTSBUDB-UHFFFAOYSA-N",132496,NA,"PDBC00361",NA,"Present",NA,NA
+"362","PRL-3 Inhibitor I",NA,NA,NA,NA,NA,"PRL-3 Inhibitor I",NA,"PRL-3 inhibitor I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brc1ccc(OCc2ccccc2Br)c(/C=C\3/SC(=S)NC3=O)c1",NA,11983303,NA,"PDBC00362",NA,"Present",NA,NA
+"363","BRD2762",NA,NA,NA,NA,NA,"BRD2762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC4=CC=CC=N4","AYLNNOFJYOLIGI-UHFFFAOYSA-N",2965939,NA,"PDBC00363",NA,"Absent",NA,NA
+"364","Avrainvillamide",NA,NA,NA,NA,NA,"avrainvillamide",NA,"avrainvillamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C=CC2=C(O1)C=CC3=C2[N+](=C4C3=CC56C(C4(C)C)CC7(CCCN7C5=O)C(=O)N6)[O-])C","ALXLLOQTGLPCFG-ATANMQQVSA-N",11719255,NA,"PDBC00364",NA,"Present",NA,NA
+"365","GW-405833",NA,NA,NA,NA,NA,"GW-405833",NA,"GW-405833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW-405833","CC1=C(C2=C(N1C(=O)C3=C(C(=CC=C3)Cl)Cl)C=CC(=C2)OC)CCN4CCOCC4","FSFZRNZSZYDVLI-UHFFFAOYSA-N",9911463,NA,"PDBC00365",NA,"Present",NA,NA
+"366","RAD51 inhibitor B02",NA,NA,NA,NA,NA,"B02",NA,"B02",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CC=CC(=C1)C2=CC=C(C=C2)C3CC3C4=CC(=O)N(C(=N4)N)C","STUBOTPNCNDBOA-ROUUACIJSA-N",66545744,NA,"PDBC00366",NA,"Present",NA,NA
+"367","SR-II-138A",NA,NA,NA,NA,NA,"SR-II-138A",NA,"SR-II-138A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00367",NA,"Present",NA,NA
+"368","BRD0476",NA,NA,NA,NA,NA,"BRD0476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)OC(=O)N1CC(C1)OCC(=O)O","ASFSRFQPUZSIQT-UHFFFAOYSA-N",40429408,NA,"PDBC00368",NA,"Absent",NA,NA
+"369","CIL56",NA,NA,NA,NA,NA,"CIL56",NA,"CIL56",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-bis(piperidin-1-ylsulfonyl)-9H-fluoren-9-one oxime",NA,NA,NA,654092,NA,"PDBC00369","785526","Present",NA,NA
+"370","PJ 34",NA,NA,NA,NA,NA,"PJ 34",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PJ-34","CN(C)CC(=O)Nc1ccc2[nH]c(=O)c3ccccc3c2c1",NA,NA,NA,"PDBC00370",NA,"Present",NA,NA
+"371","6-NBDG",NA,NA,NA,NA,NA,"6-NBDG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=C(C2=NON=C2C(=C1)[N+](=O)[O-])NC3C(C(C(OC3O)CO)O)O","GVEBOQDOPLERMC-BGCUHRRXSA-N",11859095,NA,"PDBC00371",NA,"Absent",NA,NA
+"372","Fedratinib",NA,NA,NA,NA,NA,"TG-101348",NA,"TG-101348",NA,NA,NA,"TG101348",NA,NA,"Fedratinib",NA,"TG101348",NA,NA,"Fedratinib","TG-101348","CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)OCCN4CCCC4","JOOXLOJCABQBSG-UHFFFAOYSA-N",16722836,NA,"PDBC00372","767600///800099","Present",NA,NA
+"373","4-methylfasudil",NA,NA,NA,NA,NA,"4-methylfasudil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00373",NA,"Absent",NA,NA
+"374","XAV-939",NA,NA,NA,NA,NA,"XAV-939",NA,NA,NA,NA,NA,"XAV939",NA,"XAV-939","XAV939",NA,"XAV-939",NA,NA,"XAV-939",NA,"C1CSCC2=C1NC(=NC2=O)C3=CC=C(C=C3)C(F)(F)F","KLGQSVMIPOVQAX-UHFFFAOYSA-N",2726824,NA,"PDBC00374","755761","Present",NA,NA
+"375","Valdecoxib",NA,NA,NA,NA,NA,"valdecoxib","valdecoxib","valdecoxib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N","LNPDTQAFDNKSHK-UHFFFAOYSA-N",119607,TRUE,"PDBC00375",NA,"Present",NA,NA
+"376","LY-2365109",NA,NA,NA,NA,NA,"LY-2365109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)C1=C(C=CC(=C1)C2=CC3=C(C=C2)OCO3)OCCN(C)CC(=O)O","FKPLJWGRBCQLTL-UHFFFAOYSA-N",11552757,NA,"PDBC00376",NA,"Absent",NA,NA
+"377","BRD6368",NA,NA,NA,NA,NA,"BRD6368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00377",NA,"Absent",NA,NA
+"378","Minoxidil",NA,NA,NA,NA,NA,"minoxidil","minoxidil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O","ZIMGGGWCDYVHOY-UHFFFAOYSA-N",4201,TRUE,"PDBC00378",NA,"Absent",NA,NA
+"379","Phloretin",NA,NA,NA,NA,NA,"phloretin",NA,"phloretin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHLORETIN",NA,"CC(=O)C1=C(C=C(C=C1O)OC)O","GKSGTWUNURZTKD-UHFFFAOYSA-N",24135,NA,"PDBC00379","401443","Present",NA,NA
+"380","Compound 4",NA,NA,NA,NA,NA,"Compound 4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00380",NA,"Absent",NA,NA
+"381","Gly-Gly-PALO",NA,NA,NA,NA,NA,"Gly-Gly-PALO",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(CC(C(=O)O)NC(=O)CNC(=O)CN)CNC(=O)CP(=O)(O)O","AVSPMOKNUVRQBF-ZETCQYMHSA-N",172813,NA,"PDBC00381",NA,"Absent",NA,NA
+"382","SCH-79797",NA,NA,NA,NA,NA,"SCH-79797",NA,"SCH-79797",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)C1=CC=C(C=C1)CN2C=CC3=C2C=CC4=C3C(=NC(=N4)NC5CC5)N.Cl.Cl","NNJTXSQXGHYXAJ-UHFFFAOYSA-N",45073452,NA,"PDBC00382",NA,"Present",NA,NA
+"383","HLI 373",NA,NA,NA,NA,NA,"HLI 373",NA,"HLI 373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCCNc1c2ccccc2n(C)c2nc(=O)n(C)c(=O)c12",NA,435678,NA,"PDBC00383",NA,"Present",NA,NA
+"384","Indisulam",NA,NA,NA,NA,NA,"indisulam",NA,"indisulam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indisulam","C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl","SETFNECMODOHTO-UHFFFAOYSA-N",216468,NA,"PDBC00384",NA,"Present",NA,NA
+"385","Compound 10b",NA,NA,NA,NA,NA,"Compound 10b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00385",NA,"Absent",NA,NA
+"386","ML052",NA,NA,NA,NA,NA,"ML052",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCN(CCC)CCNC(=O)C1CCN(CC1)CC2=C(OC(=N2)C3=CC=C(C=C3)Cl)C","DJAFUYUUNCOPGL-UHFFFAOYSA-N",3240581,NA,"PDBC00386",NA,"Absent",NA,NA
+"387","Dalcetrapib",NA,NA,NA,NA,NA,"dalcetrapib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dalcetrapib","CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(C)C","YZQLWPMZQVHJED-UHFFFAOYSA-N",6918540,NA,"PDBC00387",NA,"Present",NA,NA
+"388","leucascandrolide A",NA,NA,NA,NA,NA,"leucascandrolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-Leucascandrolide A///(+)-Leucascandrolide A",NA,NA,NA,10818492,NA,"PDBC00388","727719///727718","Present",NA,NA
+"389","(-)-gallocatechin-3-monogallate",NA,NA,NA,NA,NA,"(-)-gallocatechin-3-monogallate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00389",NA,"Absent",NA,NA
+"390","BRD6430",NA,NA,NA,NA,NA,"BRD6430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00390",NA,"Absent",NA,NA
+"391","Telomerase Inhibitor IX",NA,NA,NA,NA,NA,"MST-312",NA,"MST-312",NA,NA,NA,NA,NA,NA,"Telomerase Inhibitor IX",NA,NA,NA,NA,NA,NA,"C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC=C2)O)O)NC(=O)C3=C(C(=CC=C3)O)O","MIQUEZGHEJGPJB-UHFFFAOYSA-N",10385095,NA,"PDBC00391",NA,"Present",NA,NA
+"392","CIL70",NA,NA,NA,NA,NA,"CIL70",NA,"CIL70",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC(=C2NC(=C3C=CC=CC3=O)N(N2)C4=CC=C(C=C4)C(=O)O)C(=O)C=C1","FMSOAWSKCWYLBB-VBGLAJCLSA-N",5493381,NA,"PDBC00392",NA,"Present",NA,NA
+"393","R406 (Free base)",NA,NA,NA,NA,NA,"tamatinib",NA,"tamatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R-406///r406",NA,"CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C","NHHQJBCNYHBUSI-UHFFFAOYSA-N",11213558,NA,"PDBC00393","800858///772498","Present",NA,NA
+"394","BRD6150",NA,NA,NA,NA,NA,"BRD6150",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00394",NA,"Absent",NA,NA
+"395","SKI-II",NA,NA,NA,NA,NA,"SKI-II",NA,"SKI-II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SKI-II","C1=CC(=CC=C1C2=CSC(=N2)NC3=CC=C(C=C3)O)Cl","ZFGXZJKLOFCECI-UHFFFAOYSA-N",753704,NA,"PDBC00395",NA,"Present",NA,NA
+"396","Ro-28-1675",NA,NA,NA,NA,NA,"Ro-28-1675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS(=O)(=O)C1=CC=C(C=C1)C(CC2CCCC2)C(=O)NC3=NC=CS3","NEQSWPCDHDQINX-MRXNPFEDSA-N",9886086,NA,"PDBC00396",NA,"Absent",NA,NA
+"397","BRD4046",NA,NA,NA,NA,NA,"BRD4046",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00397",NA,"Absent",NA,NA
+"398","BRD8899",NA,NA,NA,NA,NA,"BRD8899",NA,"BRD8899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00398",NA,"Present",NA,NA
+"399","Lexibulin",NA,NA,NA,NA,NA,"CYT-997",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lexibulin","CYT-997","CCCC(C1=CN=CC=C1)NC2=NC(=NC=C2C)C3=CC(=C(C=C3)NC(=O)NCC)OC","MTJHLONVHHPNSI-IBGZPJMESA-N",11351021,NA,"PDBC00399","758488","Present",NA,NA
+"400","CR-1-31B",NA,NA,NA,NA,NA,"CR-1-31B",NA,"CR-1-31B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Cr]","VYZAMTAEIAYCRO-UHFFFAOYSA-N",23976,NA,"PDBC00400",NA,"Present",NA,NA
+"401","1S,3R-RSL-3",NA,NA,NA,NA,NA,"1S,3R-RSL-3",NA,"1S,3R-RSL-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00401",NA,"Present",NA,NA
+"402","Piperlongumine",NA,NA,NA,NA,NA,"piperlongumine","piperlongumine","piperlongumine",NA,NA,NA,"piperlongumine",NA,"Piperlongumine","Piperlongumine",NA,NA,NA,NA,"Piperlongumine",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O","VABYUUZNAVQNPG-BQYQJAHWSA-N",637858,NA,"PDBC00402","794671","Present",NA,NA
+"403","SCH-529074",NA,NA,NA,NA,NA,"SCH-529074",NA,"SCH-529074",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCCNC1=NC(=NC2=CC=CC=C21)CN3CCN(CC3)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","NCAJLQDPTZBGJV-UHFFFAOYSA-N",12001922,NA,"PDBC00403",NA,"Present",NA,NA
+"404","4-IPP",NA,NA,NA,NA,NA,"4-IPP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-iodo-6-phenylpyrimidine","C1=CC=C(C=C1)C2=CC(=NC=N2)I","ZTCJXHNJVLUUMR-UHFFFAOYSA-N",817368,NA,"PDBC00404",NA,"Present",NA,NA
+"405","CD-1530",NA,NA,NA,NA,NA,"CD-1530",NA,"CD-1530",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC(=NC(=C1F)Cl)Cl","YAXSIJLRAOURJK-UHFFFAOYSA-N",13290751,NA,"PDBC00405",NA,"Present",NA,NA
+"406","BRD2649",NA,NA,NA,NA,NA,"BRD2649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00406",NA,"Absent",NA,NA
+"407","BIX-01294",NA,NA,NA,NA,NA,"BIX-01294",NA,"BIX-01294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIX-01294","BIX-01294","CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)OC)OC","OSXFATOLZGZLSK-UHFFFAOYSA-N",25150857,NA,"PDBC00407","777571","Present",NA,NA
+"408","BIX-01338",NA,NA,NA,NA,NA,"BIX-01338",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCN3C4=C(C=C(C=C4)C(=O)O)N=C3NC(=O)C5=CC=C(C=C5)C(F)(F)F","OWNQZZTXPWICRQ-UHFFFAOYSA-N",56676725,NA,"PDBC00408",NA,"Absent",NA,NA
+"409","ML007",NA,NA,NA,NA,NA,"ML007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC1=C(C=C(C=C1)C2=NC(=NO2)C3=CC=NC=C3)OCC","MMKXHTDCKLZHIM-UHFFFAOYSA-N",976135,NA,"PDBC00409",NA,"Absent",NA,NA
+"410","Flutamide",NA,NA,NA,NA,NA,"flutamide","flutamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"flutamide","CC(C)C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F","MKXKFYHWDHIYRV-UHFFFAOYSA-N",3397,TRUE,"PDBC00410",NA,"Present",NA,NA
+"411","BRD6825",NA,NA,NA,NA,NA,"BRD6825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00411",NA,"Absent",NA,NA
+"412","CD-437",NA,NA,NA,NA,NA,"CD-437",NA,"CD-437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CD-437","CC1=CC(=CC(=C1OC)C)C=O","SNIGEINPLSDHBQ-UHFFFAOYSA-N",2758573,NA,"PDBC00412",NA,"Present",NA,NA
+"413","Compound 1541A",NA,NA,NA,NA,NA,"Compound 1541A",NA,"Compound 1541A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00413",NA,"Present",NA,NA
+"414","PP-30",NA,NA,NA,NA,NA,"PP-30",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PP","VURFVHCLMJOLKN-UHFFFAOYSA-N",139283,NA,"PDBC00414",NA,"Absent",NA,NA
+"415","BRD2572",NA,NA,NA,NA,NA,"BRD2572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00415",NA,"Absent",NA,NA
+"416","VER-155008",NA,NA,NA,NA,NA,"VER-155008",NA,"VER-155008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC(=CC=C1COCC2C(C(C(O2)N3C4=C(C(=NC=N4)N)N=C3NCC5=CC(=C(C=C5)Cl)Cl)O)O)C#N","ZXGGCBQORXDVTE-UMCMBGNQSA-N",25195348,NA,"PDBC00416",NA,"Present",NA,NA
+"417","Etomoxir",NA,NA,NA,NA,NA,"etomoxir",NA,"etomoxir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"etomoxir","CCOC(=O)C1(CO1)CCCCCCOC2=CC=C(C=C2)Cl","DZLOHEOHWICNIL-UHFFFAOYSA-N",123823,NA,"PDBC00417",NA,"Present",NA,NA
+"418","AGK-2",NA,NA,NA,NA,NA,"AGK-2",NA,"AGK-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC2=C(C=CC=N2)C(=C1)NC(=O)C(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C#N","SVENPFFEMUOOGK-SDNWHVSQSA-N",2130404,NA,"PDBC00418",NA,"Present",NA,NA
+"419","BRD8418",NA,NA,NA,NA,NA,"BRD8418",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00419",NA,"Absent",NA,NA
+"420","Unii-1844425clp",NA,NA,NA,NA,NA,"DG-041",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CN(C2=C(C=C(C=C12)F)C=CC(=O)NS(=O)(=O)C3=CC(=C(S3)Cl)Cl)CC4=C(C=C(C=C4)Cl)Cl","BFBTVZNKWXWKNZ-HWKANZROSA-N",11296282,NA,"PDBC00420",NA,"Absent",NA,NA
+"421","n5-Iminoethyl-l-ornithine",NA,NA,NA,NA,NA,"N5-iminoethyl-L-ornithine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=NCCCC(C(=O)O)N)N","UYZFAUAYFLEHRC-LURJTMIESA-N",107984,NA,"PDBC00421",NA,"Absent",NA,NA
+"422","FQI-2",NA,NA,NA,NA,NA,"FQI-2",NA,"FQI-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00422",NA,"Present",NA,NA
+"423","BRD6340",NA,NA,NA,NA,NA,"BRD6340",NA,"BRD6340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,1641662,NA,"PDBC00423",NA,"Present",NA,NA
+"424","Darinaparsin",NA,NA,NA,NA,NA,"darinaparsin",NA,"darinaparsin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[As](C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","JGDXFQORBMPJGR-YUMQZZPRSA-N",11683005,NA,"PDBC00424",NA,"Present","Darinaparsin",NA
+"425","NPC-26",NA,NA,NA,NA,NA,"NPC-26",NA,"NPC-26",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00425",NA,"Present",NA,NA
+"426","Glyburide",NA,NA,NA,NA,NA,"glibenclamide","glibenclamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3","ZNNLBTZKUZBEKO-UHFFFAOYSA-N",3488,NA,"PDBC00426",NA,"Absent",NA,NA
+"427","LY-2183240",NA,NA,NA,NA,NA,"LY-2183240",NA,"LY-2183240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY2183240","CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3","GZNIYOXWFCDBBJ-UHFFFAOYSA-N",11507802,NA,"PDBC00427",NA,"Present",NA,NA
+"428","BRD2662",NA,NA,NA,NA,NA,"BRD2662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,877874,NA,"PDBC00428",NA,"Absent",NA,NA
+"429","T-5345967",NA,NA,NA,NA,NA,"T-5345967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(C(=O)CN2C(=O)CCC2=O)c(C)n1Cc3ccccc3","JRESCQKIRPOOEM-UHFFFAOYSA-N",NA,NA,"PDBC00429",NA,"Absent",NA,NA
+"430","BRD9571",NA,NA,NA,NA,NA,"BRD9571",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)OC(=O)N1CCNC(C1)C(=O)O","YRYAXQJXMBETAT-ZETCQYMHSA-N",1501850,NA,"PDBC00430",NA,"Absent",NA,NA
+"431","Quiflapon sodium",NA,NA,NA,NA,NA,"MK-591",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)SC1=C(N(C2=C1C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)CC5=CC=C(C=C5)Cl)CC(C)(C)C(=O)[O-].[Na+]","YPURUCMVRRNPHJ-UHFFFAOYSA-M",23672584,NA,"PDBC00431",NA,"Absent",NA,NA
+"432","FMK-PA",NA,NA,NA,NA,NA,"FMK-PA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00432",NA,"Absent",NA,NA
+"433","ML159",NA,NA,NA,NA,NA,"ML159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CCC(CC1)N2C(=O)C=C(NC2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F","MFABFKUNLDYKGH-UHFFFAOYSA-N",45100448,NA,"PDBC00433",NA,"Absent",NA,NA
+"434","NSC 74859",NA,NA,NA,NA,NA,"NSC 74859",NA,"NSC 74859",NA,NA,NA,NA,NA,NA,NA,NA,"S31-201",NA,NA,"2-hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid",NA,NA,NA,252682,NA,"PDBC00434","74859","Present",NA,NA
+"435","Compound 12",NA,NA,NA,NA,NA,"Compound 12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00435",NA,"Absent",NA,NA
+"436","2,4-dideoxy-DC-45-A2",NA,NA,NA,NA,NA,"2,4-dideoxy-DC-45-A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00436",NA,"Absent",NA,NA
+"437","ML090",NA,NA,NA,NA,NA,"ML090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC=C2C(=C1)NC3=NC4=CC=CC=C4N=C3N2","WGKYYZDYHYOKQV-UHFFFAOYSA-N",616479,NA,"PDBC00437",NA,"Absent",NA,NA
+"438","CHEMBL399379",NA,NA,NA,NA,NA,"CHEMBL399379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC1=C(C=C(C=C1)C2=CC=CC=C2)NS(=O)(=O)C3=CC(=CC(=C3O)Cl)Cl","SIIPNDKXZOTLEA-UHFFFAOYSA-N",16747776,NA,"PDBC00438",NA,"Absent",NA,NA
+"439","Pandacostat",NA,NA,NA,NA,NA,"pandacostat",NA,"pandacostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC(=CC=C1C=CC(=O)NO)C(=O)NNC=C2C=CC(=O)C(=C2O)O","DQNFQTHSDKXSEE-YWSGDMFXSA-N",44543714,NA,"PDBC00439",NA,"Present",NA,NA
+"440","ELCPK",NA,NA,NA,NA,NA,"ELCPK",NA,"ELCPK",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00440",NA,"Present",NA,NA
+"441","JZL-184",NA,NA,NA,NA,NA,"JZL-184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JZL-184","JZL-184","C1CN(CCC1C(C2=CC3=C(C=C2)OCO3)(C4=CC5=C(C=C4)OCO5)O)C(=O)OC6=CC=C(C=C6)[N+](=O)[O-]","SEGYOKHGGFKMCX-UHFFFAOYSA-N",25021165,NA,"PDBC00441","763094","Present",NA,NA
+"442","CIL55",NA,NA,NA,NA,NA,"CIL55",NA,"CIL55",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00442",NA,"Present",NA,NA
+"443","5-benzyl-9-tert-butyl-paullone",NA,NA,NA,NA,NA,"5-benzyl-9-tert-butyl-paullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00443",NA,"Absent",NA,NA
+"444","GMX-1778",NA,NA,NA,NA,NA,"GMX-1778",NA,"GMX-1778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccc(OCCCCCC\N=C(\NC#N)Nc2ccncc2)cc1",NA,NA,NA,"PDBC00444",NA,"Present",NA,NA
+"445","NU 1025",NA,NA,NA,NA,NA,"NU 1025","NU-1025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1nc2c(O)cccc2c(=O)[nH]1","YJDAOHJWLUNFLX-UHFFFAOYSA-N",63306,NA,"PDBC00445",NA,"Absent",NA,NA
+"446","Bms-641988",NA,NA,NA,NA,NA,"BMS-641988",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCS(=O)(=O)NC1CC2(C3C(C1(O2)C)C(=O)N(C3=O)C4=CC(=C(C=C4)C#N)C(F)(F)F)C","HYNANJUKEMCYEQ-HIGHGGLBSA-N",24768935,NA,"PDBC00446",NA,"Absent",NA,NA
+"447","P-0850",NA,NA,NA,NA,NA,"P-0850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00447",NA,"Absent",NA,NA
+"448","Pik-75",NA,NA,NA,NA,NA,"PIK-75",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PIK-75","CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N(C)N=CC2=CN=C3N2C=C(C=C3)Br","QTHCAAFKVUWAFI-DJKKODMXSA-N",10275789,NA,"PDBC00448",NA,"Present",NA,NA
+"449","PRIMA-1-Met",NA,NA,NA,NA,NA,"PRIMA-1-Met",NA,"PRIMA-1-Met",NA,NA,NA,NA,NA,NA,"PRIMA-1MET",NA,NA,NA,NA,"APR-246",NA,"COCC1(C(=O)C2CCN1CC2)CO","BGBNULCRKBVAKL-UHFFFAOYSA-N",52918385,NA,"PDBC00449","791496","Present",NA,NA
+"450","TTNBP",NA,NA,NA,NA,NA,"TTNBP","TTNPB",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=CC1=CC=C(C=C1)C(=O)O)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C","FOIVPCKZDPCJJY-JQIJEIRASA-N",5289501,NA,"PDBC00450",NA,"Absent",NA,NA
+"451","Capsaicin",NA,NA,NA,NA,NA,"capsaicin","capsaicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"capsaicin","CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC","YKPUWZUDDOIDPM-SOFGYWHQSA-N",1548943,TRUE,"PDBC00451",NA,"Present",NA,NA
+"452","BRD0713",NA,NA,NA,NA,NA,"BRD0713",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00452",NA,"Absent",NA,NA
+"453","ML160",NA,NA,NA,NA,NA,"ML160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00453",NA,"Absent",NA,NA
+"454","ML150",NA,NA,NA,NA,NA,"ML150",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,1517919,NA,"PDBC00454",NA,"Absent",NA,NA
+"455","iso-DC-45-A2",NA,NA,NA,NA,NA,"iso-DC-45-A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00455",NA,"Absent",NA,NA
+"456","AZD-7545",NA,NA,NA,NA,NA,"AZD-7545",NA,"AZD7545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C(=O)NC1=C(C=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N(C)C)Cl)(C(F)(F)F)O","DTDZLJHKVNTQGZ-GOSISDBHSA-N",16741245,NA,"PDBC00456",NA,"Present",NA,NA
+"457","BRD4470",NA,NA,NA,NA,NA,"BRD4470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00457",NA,"Absent",NA,NA
+"458","Tivozanib",NA,NA,NA,NA,NA,"tivozanib",NA,"tivozanib",NA,NA,NA,"Tivozanib",NA,NA,"Tivozanib",NA,"Tivozanib (AV-951)",NA,NA,"Tivozanib","tivozanib","CC1=CC(=NO1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl","SPMVMDHWKHCIDT-UHFFFAOYSA-N",9911830,NA,"PDBC00458","800952///758007","Present",NA,NA
+"459","BEC",NA,NA,NA,NA,NA,"BEC",NA,"BEC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=C(C(C(=C(N1)C)C(=O)OCC(=O)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC","NCUCGYYHUFIYNU-UHFFFAOYSA-N",2225,NA,"PDBC00459",NA,"Present",NA,NA
+"460","BRD55319",NA,NA,NA,NA,NA,"BRD55319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00460",NA,"Absent",NA,NA
+"461","CHEMBL1222381",NA,NA,NA,NA,NA,"CHEMBL1222381",NA,"neuronal differentiation inducer III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CC1NC(=O)C2=NOC(=C2)C3=CC=CS3","SYENTKHGMVKGAQ-UHFFFAOYSA-N",19582717,NA,"PDBC00461",NA,"Present",NA,NA
+"462","Adavosertib",NA,NA,NA,NA,NA,"MK 1775",NA,"MK-1775",NA,NA,"AZD1775",NA,NA,"MK-1775","MK-1775",NA,NA,NA,NA,"Adavosertib///MK-1775","MK-1775","CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(-c2cccc(n2)C(C)(C)O)n(CC=C)c3=O)cc1",NA,24856436,NA,"PDBC00462","754352///800793","Present",NA,NA
+"463","ML039",NA,NA,NA,NA,NA,"ML039",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC(=C(C(=C1C2=NNC(=C2)C(=O)NCCO)Cl)Cl)Cl","NQORNRXANZIMLI-UHFFFAOYSA-N",24178170,NA,"PDBC00463",NA,"Absent",NA,NA
+"464","JQ1 compound",NA,NA,NA,NA,NA,"JQ-1",NA,"JQ-1","JQ1",NA,NA,"JQ1",NA,"JQ1","JQ1",NA,"JQ1","(+)-JQ1",NA,NA,NA,"CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)C(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C","DOXYOPGGFSMXOX-GOSISDBHSA-N",71300862,NA,"PDBC00464",NA,"Present",NA,NA
+"465","6-Methoxyharmalan",NA,NA,NA,NA,NA,"6-methoxyharmalan","10-methoxyharmalan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=C2C(=C3C=C(C=CC3=N2)OC)CCN1","PIRYBCJVLMHZOK-UHFFFAOYSA-N",5474706,NA,"PDBC00465",NA,"Absent",NA,NA
+"466","Abt-737",NA,NA,NA,NA,NA,"ABT-737",NA,"ABT-737",NA,NA,NA,NA,NA,NA,"ABT737",NA,"ABT-737","BH3 mimetic ABT 737",NA,"ABT-737","ABT-737","CN(C)CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCN(CC4)CC5=CC=CC=C5C6=CC=C(C=C6)Cl)[N+](=O)[O-]","HPLNQCPCUACXLM-PGUFJCEWSA-N",11228183,NA,"PDBC00466","758873","Present",NA,NA
+"467","Enzalutamide",NA,NA,NA,NA,NA,"MDV-3100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enzalutamide","enzalutamide","CC1(C(=O)N(C(=S)N1C2=CC(=C(C=C2)C(=O)NC)F)C3=CC(=C(C=C3)C#N)C(F)(F)F)C","WXCXUHSOUPDCQV-UHFFFAOYSA-N",15951529,NA,"PDBC00467","755605","Present",NA,NA
+"468","UK 356618",NA,NA,NA,NA,NA,"UK 356618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCc1ccc(c(C)c1)-c1ccccc1)CC(=O)NO)C(C)(C)C)c1ccccc1",NA,10370504,NA,"PDBC00468",NA,"Absent",NA,NA
+"469","BRD4372",NA,NA,NA,NA,NA,"BRD4372",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00469",NA,"Absent",NA,NA
+"470","Daporinad",NA,NA,NA,NA,NA,"FK866",NA,"daporinad",NA,NA,NA,"FK866",NA,NA,"Daporinad",NA,NA,NA,NA,"Daporinad","FK-866","C1CN(CCC1CCCCNC(=O)C=CC2=CN=CC=C2)C(=O)C3=CC=CC=C3","KPBNHDGDUADAGP-VAWYXSNFSA-N",6914657,NA,"PDBC00470","760442///777194","Present","FK866",NA
+"471","BRD4479",NA,NA,NA,NA,NA,"BRD4479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,1288426,NA,"PDBC00471",NA,"Absent",NA,NA
+"472","CHEMBL374350",NA,NA,NA,NA,NA,"CHEMBL374350",NA,"ML029",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CC2=C(C=C1C)N(C(=N2)NCCCO)CC(=O)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C","CYCGGKILBWERDJ-UHFFFAOYSA-N",2858523,NA,"PDBC00472",NA,"Present",NA,NA
+"473","alpha-Cyano-4-hydroxycinnamic acid",NA,NA,NA,NA,NA,"alpha-cyano-4-hydroxycinnamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,5328791,NA,"PDBC00473",NA,"Absent",NA,NA
+"474","BRD8097",NA,NA,NA,NA,NA,"BRD8097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00474",NA,"Absent",NA,NA
+"475","MPEP",NA,NA,NA,NA,NA,"MPEP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CC=CC(=N1)C#CC2=CC=CC=C2","NEWKHUASLBMWRE-UHFFFAOYSA-N",3025961,NA,"PDBC00475",NA,"Absent",NA,NA
+"476","ML101",NA,NA,NA,NA,NA,"ML101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)C(C(=O)N1CCCC1C(=O)NC2=CC=CC3=C2C=CC=N3)NC(=O)C(C)NC.C(=O)O","YSZBMHHAPPTTJG-ZAFWUOJLSA-N",25241665,NA,"PDBC00476",NA,"Absent",NA,NA
+"477","IWR-1-endo",NA,NA,NA,NA,NA,"endo-IWR-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IWR-1","endo-IWR-1","C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC6=C5N=CC=C6","ZGSXEXBYLJIOGF-ALFLXDJESA-N",44483163,NA,"PDBC00477","756646","Present",NA,NA
+"478","SB-225002",NA,NA,NA,NA,NA,"SB-225002",NA,"SB-225002",NA,NA,NA,NA,NA,"SB225002",NA,NA,NA,NA,NA,NA,"SB-225002","C1=CC=C(C(=C1)NC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])O)Br","MQBZVUNNWUIPMK-UHFFFAOYSA-N",3854666,NA,"PDBC00478",NA,"Present",NA,NA
+"479","3-Nitropropionic acid",NA,NA,NA,NA,NA,"bovinocidin","3-nitropropionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(C[N+](=O)[O-])C(=O)O","WBLZUCOIBUDNBV-UHFFFAOYSA-N",1678,NA,"PDBC00479",NA,"Absent",NA,NA
+"480","CAY10594",NA,NA,NA,NA,NA,"CAY10594",NA,"CAY10594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCNC(=O)C4=CC5=CC=CC=C5C=C4","FAIFAFUXFFWVNQ-UHFFFAOYSA-N",25105715,NA,"PDBC00480",NA,"Present",NA,NA
+"481","Compound 7d-cis",NA,NA,NA,NA,NA,"Compound 7d-cis",NA,"Compound 7d-cis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00481",NA,"Present",NA,NA
+"482","Neopeltolide",NA,NA,NA,NA,NA,"neopeltolide",NA,"neopeltolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCC1CC(CC(CC2CC(CC(O2)CC(=O)O1)OC(=O)C=CCCC3=COC(=N3)C=CCNC(=O)OC)C)OC","YRSJLYCTJWNTMF-KXXBBFITSA-N",23661650,NA,"PDBC00482",NA,"Present",NA,NA
+"483","Bistramide A",NA,NA,NA,NA,NA,"bistramide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,6048582,NA,"PDBC00483",NA,"Absent",NA,NA
+"484","BRD9658",NA,NA,NA,NA,NA,"BRD9658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00484",NA,"Absent",NA,NA
+"485","Ko-143",NA,NA,NA,NA,NA,"Ko-143",NA,"Ko-143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=C(N2)C=C(C=C4)OC","NXNRAECHCJZNRF-JBACZVJFSA-N",10322450,NA,"PDBC00485",NA,"Present",NA,NA
+"486","pifithrin-alpha",NA,NA,NA,NA,NA,"pifithrin-alpha",NA,"pifithrin-alpha",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CC=C(C=C1)C(=O)C[N+]2=C(SC3=C2CCCC3)N.[Br-]","HAGVCKULCLQGRF-UHFFFAOYSA-N",57458948,NA,"PDBC00486",NA,"Present",NA,NA
+"487","TGX-115",NA,NA,NA,NA,NA,"TGX-115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CC=CC=C1OC2=CC=CC3=C2NC(=CC3=O)N4CCOCC4","FWYYZGLCNUZWPF-UHFFFAOYSA-N",9902311,NA,"PDBC00487",NA,"Absent",NA,NA
+"488","Compound 23 citrate",NA,NA,NA,NA,NA,"Compound 23 citrate",NA,"Compound 23 citrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00488",NA,"Present",NA,NA
+"489","PI-103",NA,NA,NA,NA,NA,"PI-103",NA,"PI-103",NA,NA,NA,"PI-103",NA,NA,"PI-103",NA,"PI-103",NA,NA,"PI-103","PI-103","C1COCCN1C2=NC(=NC3=C2OC4=C3C=CC=N4)C5=CC(=CC=C5)O","TUVCWJQQGGETHL-UHFFFAOYSA-N",9884685,NA,"PDBC00489","776996///759676","Present",NA,NA
+"490","Ursolic acid",NA,NA,NA,NA,NA,"ursolic acid","ursolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O","WCGUUGGRBIKTOS-GPOJBZKASA-N",64945,NA,"PDBC00490",NA,"Absent",NA,NA
+"491","BRD8958",NA,NA,NA,NA,NA,"BRD8958",NA,"BRD8958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00491",NA,"Present",NA,NA
+"492","PF-3845",NA,NA,NA,NA,NA,"PF-3845",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-3845","C1CN(CCC1CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=CN=CC=C4","NBOJHRYUGLRASX-UHFFFAOYSA-N",25154867,NA,"PDBC00492",NA,"Present",NA,NA
+"493","ISOX",NA,NA,NA,NA,NA,"ISOX",NA,"ISOX",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)OC(=O)Nc1ccc(cc1)-c1cc(no1)C(=O)NCCCCCCC(=O)NO",NA,NA,NA,"PDBC00493",NA,"Present",NA,NA
+"494","CIL55A",NA,NA,NA,NA,NA,"CIL55A",NA,"CIL55A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00494",NA,"Present",NA,NA
+"495","GSK-2334470",NA,NA,NA,NA,NA,"GSK-2334470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-pyrimidinyl)-1H-indazole derivative",NA,"CC1CCC(CN1C2=NC(=NC(=C2)C3=CC4=C(C=C3)C(=NN4)N)NC)C(=O)NC5CCCCC5","QLPHOXTXAKOFMU-WBVHZDCISA-N",46215815,NA,"PDBC00495","759658","Present",NA,NA
+"496","10-DEBC",NA,NA,NA,NA,NA,"10-DEBC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCCCN1C2=CC=CC=C2OC3=C1C=C(C=C3)Cl","GYBXAGDWMCJZJK-UHFFFAOYSA-N",10521421,NA,"PDBC00496",NA,"Absent",NA,NA
+"497","Snx-2112",NA,NA,NA,NA,NA,"SNX-2112",NA,"SNX-2112",NA,NA,NA,"SNX-2112",NA,NA,"SNX-2112",NA,NA,NA,NA,NA,"SNX-2112","CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)O)C(F)(F)F)C","ZFVRYNYOPQZKDG-UHFFFAOYSA-N",24772860,NA,"PDBC00497",NA,"Present",NA,NA
+"498","N9-Isopropyl-olomoucine",NA,NA,NA,NA,NA,"N9-isopropylolomoucine",NA,"N9-isopropylolomoucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)N1C=NC2=C1N=C(N=C2NCC3=CC=CC=C3)NCCO","WHDJEAZLMYPLGL-UHFFFAOYSA-N",6610355,NA,"PDBC00498",NA,"Present",NA,NA
+"499","BML-259",NA,NA,NA,NA,NA,"BML-259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)C1=CN=C(S1)NC(=O)CC2=CC=CC=C2","IGRZXNLKVUEFDM-UHFFFAOYSA-N",16760027,NA,"PDBC00499",NA,"Absent",NA,NA
+"500","Carbamazepine",NA,NA,NA,NA,NA,"carbamazepine","carbamazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N","FFGPTBGBLSHEPO-UHFFFAOYSA-N",2554,TRUE,"PDBC00500",NA,"Absent",NA,NA
+"501","BRD4770",NA,NA,NA,NA,NA,"BRD4770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-4770",NA,NA,NA,72193870,NA,"PDBC00501","777671","Present",NA,NA
+"502","BRD5802",NA,NA,NA,NA,NA,"BRD5802",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00502",NA,"Absent",NA,NA
+"503","BRD1812",NA,NA,NA,NA,NA,"BRD1812",NA,"BRD1812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00503",NA,"Present",NA,NA
+"504","PF-04217903",NA,NA,NA,NA,NA,"PF-04217903",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-04217903","PF-04217903","C1=CC2=C(C=CC(=C2)CN3C4=NC(=CN=C4N=N3)C5=CN(N=C5)CCO)N=C1","PDMUGYOXRHVNMO-UHFFFAOYSA-N",17754438,NA,"PDBC00504","763931","Present","PF04217903",NA
+"505","Purmorphamine",NA,NA,NA,NA,NA,"purmorphamine",NA,"purmorphamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CCC(CC1)N2C=NC3=C2N=C(N=C3NC4=CC=C(C=C4)N5CCOCC5)OC6=CC=CC7=CC=CC=C76","FYBHCRQFSFYWPY-UHFFFAOYSA-N",5284329,NA,"PDBC00505",NA,"Present",NA,NA
+"506","Panduratin A",NA,NA,NA,NA,NA,"panduratin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,6483648,NA,"PDBC00506",NA,"Absent",NA,NA
+"507","ZM336372",NA,NA,NA,NA,NA,"ZM336372",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZM-336372",NA,"CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC(=O)C3=CC=C(C=C3)O","PYEFPDQFAZNXLI-UHFFFAOYSA-N",5730,NA,"PDBC00507","756654","Present",NA,NA
+"508","UNC0321",NA,NA,NA,NA,NA,"UNC0321",NA,"UNC0321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)C)OC)OCCOCCN(C)C","AULLUGALUBVBDD-UHFFFAOYSA-N",46901937,NA,"PDBC00508",NA,"Present",NA,NA
+"509","WT-161",NA,NA,NA,NA,NA,"WT-161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WT-161",NA,"CCC1(C(=O)NC(=O)NC1=O)C2=CC3CCC(C3)C2","MKELYWOVSPVORM-UHFFFAOYSA-N",19254,NA,"PDBC00509","797653","Present",NA,NA
+"510","N-oxalyl-D-phenylalanine",NA,NA,NA,NA,NA,"N-oxalyl-D-phenylalanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(=O)O","ULQWGBCNOHBNDB-QMMMGPOBSA-N",11276430,NA,"PDBC00510",NA,"Absent",NA,NA
+"511","Losartan",NA,NA,NA,NA,NA,"losartan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)CO)Cl","PSIFNNKUMBGKDQ-UHFFFAOYSA-N",3961,TRUE,"PDBC00511",NA,"Absent",NA,NA
+"512","Sepantronium bromide",NA,NA,NA,NA,NA,"YM-155",NA,"YM-155",NA,NA,NA,"YM155",NA,"YM155","Sepantronium bromide",NA,"YM-155",NA,NA,"Sepantronium bromide","YM-155","CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=NC=CN=C4.[Br-]","QBIYUDDJPRGKNJ-UHFFFAOYSA-M",11178236,NA,"PDBC00512","755387","Present",NA,NA
+"513","EX-527",NA,NA,NA,NA,NA,"EX-527",NA,"EX-527",NA,NA,NA,"EX-527",NA,NA,"Selisistat",NA,NA,NA,NA,NA,NA,"C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)Cl)C(=O)N","FUZYTVDVLBBXDL-UHFFFAOYSA-N",5113032,NA,"PDBC00513",NA,"Present","EX527",NA
+"514","BRD32048",NA,NA,NA,NA,NA,"BRD32048",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CN3CCCCC3","PVHJDJWPRZUURH-UHFFFAOYSA-N",704129,NA,"PDBC00514",NA,"Absent",NA,NA
+"515","Lonidamine",NA,NA,NA,NA,NA,"lonidamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC=C2C(=C1)C(=NN2CC3=C(C=C(C=C3)Cl)Cl)C(=O)O","WDRYRZXSPDWGEB-UHFFFAOYSA-N",39562,NA,"PDBC00515",NA,"Absent",NA,NA
+"516","Manumycin",NA,NA,NA,NA,NA,"manumycin A",NA,"manumycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCC[C@@H](C)/C=C(\C)/C=C(\C)/C(=O)NC1=C[C@@](O)(\C=C\C=C\C=C\C(=O)NC2C(=O)CCC2=O)[C@@H]3O[C@@H]3C1=O",NA,6438330,NA,"PDBC00516",NA,"Present",NA,NA
+"517","Ixazomib",NA,NA,NA,NA,NA,"MLN2238",NA,"MLN2238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ixazomib","Ixazomib citrate///Ixazomib","ixazomib","B(C(CC(C)C)NC(=O)CNC(=O)C1=C(C=CC(=C1)Cl)Cl)(O)O","MXAYKZJJDUDWDS-LBPRGKRZSA-N",25183872,NA,"PDBC00517","758254///766907","Present",NA,NA
+"518","BRD6413",NA,NA,NA,NA,NA,"BRD6413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,952391,NA,"PDBC00518",NA,"Absent",NA,NA
+"519","ML214",NA,NA,NA,NA,NA,"ML214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])Cl","KPDOVJBEKCRATD-UHFFFAOYSA-N",701939,NA,"PDBC00519",NA,"Absent",NA,NA
+"520","DC-45-A2",NA,NA,NA,NA,NA,"DC-45-A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C","VNWKTOKETHGBQD-MICDWDOJSA-N",12669,NA,"PDBC00520",NA,"Absent",NA,NA
+"521","RepSox",NA,NA,NA,NA,NA,"RepSox",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW786460X","repsox","CC1=CC=CC(=N1)C2=C(C=NN2)C3=NC4=C(C=C3)N=CC=C4","LBPKYPYHDKKRFS-UHFFFAOYSA-N",449054,NA,"PDBC00521","756354","Present",NA,NA
+"522","Triacsin c",NA,NA,NA,NA,NA,"triacsin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC\C=C\C\C=C\C=C\C=N\N[NH2+][O-]",NA,9576787,NA,"PDBC00522",NA,"Absent",NA,NA
+"523","ML203",NA,NA,NA,NA,NA,"ML203",NA,"ML203",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)N)S(=O)(=O)C3=CC4=C(C=C3)OCCO4","GMHIOMMKSMSRLY-UHFFFAOYSA-N",44543605,NA,"PDBC00523",NA,"Present",NA,NA
+"524","Oxythiamine",NA,NA,NA,NA,NA,"oxythiamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO.Cl.[Cl-]","HGYQKVVWNZFPJS-UHFFFAOYSA-N",101796,NA,"PDBC00524",NA,"Absent",NA,NA
+"525","Batimastat",NA,NA,NA,NA,NA,"batimastat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"batimastat","CC(C)CC(C(CSC1=CC=CS1)C(=O)NO)C(=O)NC(CC2=CC=CC=C2)C(=O)NC","XFILPEOLDIKJHX-QYZOEREBSA-N",5362422,NA,"PDBC00525",NA,"Present",NA,NA
+"526","IWP-2",NA,NA,NA,NA,NA,"IWP-2",NA,NA,NA,NA,NA,NA,NA,NA,"IWP-2",NA,NA,NA,NA,NA,NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NC4=C(C(=O)N3C5=CC=CC=C5)SCC4","WRKPZSMRWPJJDH-UHFFFAOYSA-N",2155128,NA,"PDBC00526",NA,"Present",NA,NA
+"527","BRD1429",NA,NA,NA,NA,NA,"BRD1429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,24059344,NA,"PDBC00527",NA,"Absent",NA,NA
+"528","PF-750",NA,NA,NA,NA,NA,"PF-750",NA,"PF-750",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CN(CCC1CC2=CC3=CC=CC=C3N=C2)C(=O)NC4=CC=CC=C4","BIODYGOZWZNCAG-UHFFFAOYSA-N",25154868,NA,"PDBC00528",NA,"Present",NA,NA
+"529","PL-DI",NA,NA,NA,NA,NA,"PL-DI",NA,"PL-DI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCNC1=C(C=C(C=C1)[N+](=O)[O-])N=[N+]=[N-]","JBBYCBXVYZDRPE-PSXMRANNSA-N",3035652,NA,"PDBC00529",NA,"Present",NA,NA
+"530","6-diazo-5-oxo-L-norleucine",NA,NA,NA,NA,NA,"6-diazo-5-oxo-L-norleucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diazooxonorleucine","C(CC(=C[N+]#N)[O-])C(C(=O)O)N","MKZFABOMIIHLIT-ARJAWSKDSA-N",5351132,NA,"PDBC00530",NA,"Present",NA,NA
+"531","BRD63610",NA,NA,NA,NA,NA,"BRD63610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00531",NA,"Absent",NA,NA
+"532","Neratinib",NA,NA,NA,NA,NA,"neratinib",NA,"neratinib",NA,NA,NA,NA,NA,NA,NA,NA,"Neratinib (HKI-272)",NA,NA,"Neratinib","neratinib","CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)C#N)NC(=O)C=CCN(C)C","JWNPDZNEKVCWMY-VQHVLOKHSA-N",9915743,TRUE,"PDBC00532","800803///757439","Present",NA,NA
+"533","Cytosporone B",NA,NA,NA,NA,NA,"cytosporone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCC",NA,10687292,NA,"PDBC00533",NA,"Absent",NA,NA
+"534","kahalalide F",NA,NA,NA,NA,NA,"kahalalide F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kahalide F",NA,"CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(=CC)C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)CCCC(C)C)C)C(C)C)CC3=CC=CC=C3)C(C)C","RCGXNDQKCXNWLO-YUHQQKLOSA-N",9898671,NA,"PDBC00534","668814","Present",NA,NA
+"535","BRD4132",NA,NA,NA,NA,NA,"BRD4132",NA,"BRD4132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,7326481,NA,"PDBC00535",NA,"Present",NA,NA
+"536","UNC0638",NA,NA,NA,NA,NA,"UNC0638",NA,"UNC0638",NA,NA,NA,"UNC0638",NA,"UNC0638","UNC0638",NA,NA,NA,NA,"UNC-0638",NA,"CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)C5CCCCC5","QOECJCJVIMVJGX-UHFFFAOYSA-N",46224516,NA,"PDBC00536","764517","Present",NA,NA
+"537","Irosustat",NA,NA,NA,NA,NA,"irosustat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)N","DSLPMJSGSBLWRE-UHFFFAOYSA-N",5287541,NA,"PDBC00537",NA,"Absent",NA,NA
+"538","CI-976",NA,NA,NA,NA,NA,"CI-976",NA,"CI-976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCCCCCCC(C)(C)C(=O)NC1=C(C=C(C=C1OC)OC)OC","WAFNZAURAWBNDZ-UHFFFAOYSA-N",122327,NA,"PDBC00538",NA,"Present",NA,NA
+"539","BRD9876",NA,NA,NA,NA,NA,"BRD9876",NA,"BRD9876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)C1=CC2=C(C=C1)C=C(C(=C2)C#N)C#N","MKILROQBJOOZKC-UHFFFAOYSA-N",613000,NA,"PDBC00539",NA,"Present",NA,NA
+"540","ML006",NA,NA,NA,NA,NA,"ML006",NA,"ML006",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1COCCN1C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4","XAYFWWVZSYKDIS-UHFFFAOYSA-N",2842253,NA,"PDBC00540",NA,"Present",NA,NA
+"541","BRD2296",NA,NA,NA,NA,NA,"BRD2296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00541",NA,"Absent",NA,NA
+"542","BRD5586",NA,NA,NA,NA,NA,"BRD5586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00542",NA,"Absent",NA,NA
+"543","ML031",NA,NA,NA,NA,NA,"ML013",NA,"ML031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C(=O)CCC3=O","JRESCQKIRPOOEM-UHFFFAOYSA-N",2113511,NA,"PDBC00543",NA,"Present",NA,NA
+"544","CID 2853753",NA,NA,NA,NA,NA,"CID 2853753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00544",NA,"Absent",NA,NA
+"545","Abt-751",NA,NA,NA,NA,NA,"ABT-751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABT-751","COC1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC=C2)NC3=CC=C(C=C3)O","URCVCIZFVQDVPM-UHFFFAOYSA-N",3035714,NA,"PDBC00545",NA,"Present",NA,NA
+"546","Tosedostat",NA,NA,NA,NA,NA,"tosedostat",NA,"tosedostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tosedostat","CC(C)CC(C(C(=O)NO)O)C(=O)NC(C1=CC=CC=C1)C(=O)OC2CCCC2","FWFGIHPGRQZWIW-SQNIBIBYSA-N",15547703,NA,"PDBC00546",NA,"Present",NA,NA
+"547","BRD7137",NA,NA,NA,NA,NA,"BRD7137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00547",NA,"Absent",NA,NA
+"548","SJ-172550",NA,NA,NA,NA,NA,"SJ-172550",NA,"SJ-172550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Cl)OCC(=O)OC","RKKFQJXGAQWHBZ-LICLKQGHSA-N",1317464,NA,"PDBC00548",NA,"Present",NA,NA
+"549","6-Borono-L-norleucine",NA,NA,NA,NA,NA,"ABH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B(CCCCC(C(=O)[O-])[NH3+])(O)O","HFKKMXCOJQIYAH-YFKPBYRVSA-N",56676409,NA,"PDBC00549",NA,"Absent",NA,NA
+"550","AC55649",NA,NA,NA,NA,NA,"AC55649",NA,"AC55649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O","HXBKPYIEQLLNBK-UHFFFAOYSA-N",1714884,NA,"PDBC00550",NA,"Present",NA,NA
+"551","Compound 11e",NA,NA,NA,NA,NA,"Compound 11e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00551",NA,"Absent",NA,NA
+"552","BRD9786",NA,NA,NA,NA,NA,"BRD9786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00552",NA,"Absent",NA,NA
+"553","ML100",NA,NA,NA,NA,NA,"ML100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CC=C(C=C1)C2=NC(=NC(=N2)SC)C(Cl)Cl","VRYFPFHGCPTRHR-UHFFFAOYSA-N",3380841,NA,"PDBC00553",NA,"Absent",NA,NA
+"554","BMS-191011",NA,NA,NA,NA,NA,"BMS-191011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC(=CC=C1C2=NN(C(=O)O2)CC3=C(C=CC(=C3)Cl)O)C(F)(F)F","QKOWACXSXTXRKA-UHFFFAOYSA-N",10474339,NA,"PDBC00554",NA,"Absent",NA,NA
+"555","Nifedipine",NA,NA,NA,NA,NA,"nifedipine","nifedipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nifedipine","Nifedipine;A-9057",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC","HYIMSNHJOBLJNT-UHFFFAOYSA-N",4485,TRUE,"PDBC00555","786036","Present",NA,NA
+"556","pifithrin-mu",NA,NA,NA,NA,NA,"pifithrin-mu",NA,"pifithrin-mu",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1=CC=C(C=C1)C#CS(=O)(=O)N","ZZUZYEMRHCMVTB-UHFFFAOYSA-N",327653,NA,"PDBC00556",NA,"Present",NA,NA
+"557","Compound 2",NA,NA,NA,NA,NA,"Compound 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00557",NA,"Absent",NA,NA
+"558","16-beta-bromoandrosterone",NA,NA,NA,NA,NA,"16-beta-bromoandrosterone",NA,"16-beta-bromoandrosterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC00558",NA,"Present",NA,NA
+"559","Pluripotin",NA,NA,NA,NA,NA,"pluripotin",NA,"pluripotin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pluripotin",NA,NA,NA,12003241,NA,"PDBC00559","763525///217990","Present",NA,NA
+"560","Fatostatin",NA,NA,NA,NA,NA,"fatostatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCC1=NC=CC(=C1)C2=NC(=CS2)C3=CC=C(C=C3)C","ZROSUBKIGBSZCG-UHFFFAOYSA-N",1889993,NA,"PDBC00560",NA,"Absent",NA,NA
+"561","PIK-90",NA,NA,NA,NA,NA,"PIK-90",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC1=C(C2=C(C=C1)C3=NCCN3C(=N2)NC(=O)C4=CN=CC=C4)OC","ZJAVHOMVDCMAMF-UHFFFAOYSA-N",6857685,NA,"PDBC00561",NA,"Absent",NA,NA
+"562","Pyrvinium pamoate",NA,NA,NA,NA,NA,"pyrvinium pamoate","pyrvinium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)c1ccc2[n+](C)c(CCc3cc(C)n(c3C)-c3ccccc3)ccc2c1.CN(C)c1ccc2[n+](C)c(CCc3cc(C)n(c3C)-c3ccccc3)ccc2c1",NA,54680693,TRUE,"PDBC00562",NA,"Absent",NA,NA
+"563","Indomethacin",NA,NA,NA,NA,NA,NA,"indometacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)O)c2c1","CGIGDMFJXJATDK-UHFFFAOYSA-N",3715,NA,"PDBC00563",NA,"Absent",NA,NA
+"564","cobalt chloride",NA,NA,NA,NA,NA,NA,"cobalt chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cl[Co]Cl","GVPFVAHMJGGAJG-UHFFFAOYSA-L",24288,TRUE,"PDBC00564",NA,"Absent",NA,NA
+"565","Prochlorperazine",NA,NA,NA,NA,NA,NA,"prochlorperazine","prochlorperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prochlorperazine dimaleate",NA,NA,"CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1","WIKYUJGCLQQFNW-UHFFFAOYSA-N",4917,TRUE,"PDBC00565",NA,"Present",NA,NA
+"566","Quinpirole",NA,NA,NA,NA,NA,NA,"quinpirole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCN1CCC[C@H]2Cc3[nH]ncc3C[C@@H]21","FTSUPYGMFAPCFZ-ZWNOBZJWSA-N",54562,NA,"PDBC00566",NA,"Absent",NA,NA
+"567","Tetraethylenepentamine",NA,NA,NA,NA,NA,NA,"tetraethylenepentamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCNCCNCCNCCN","FAGUFWYHJQFNRV-UHFFFAOYSA-N",8197,NA,"PDBC00567",NA,"Absent",NA,NA
+"568","Copper sulfate",NA,NA,NA,NA,NA,NA,"copper sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Cu].OS(=O)(=O)[O-]","ARUVKPQLZAKDPS-UHFFFAOYSA-L",24462,NA,"PDBC00568",NA,"Absent",NA,NA
+"569","Deferoxamine",NA,NA,NA,NA,NA,NA,"deferoxamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN","UBQYURCVBFRUQT-UHFFFAOYSA-N",2973,TRUE,"PDBC00569",NA,"Absent",NA,NA
+"570","Pirinixic acid",NA,NA,NA,NA,NA,NA,"pirinixic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pirinixic acid",NA,"Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C","SZRPDCCEHVWOJX-UHFFFAOYSA-N",5694,NA,"PDBC00570","310038","Present",NA,NA
+"571","Celecoxib",NA,NA,NA,"celebrex///Celecoxib",NA,NA,"celecoxib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Celecoxib",NA,"Cc1ccc(cc1)c2cc(nn2c3ccc(cc3)S(=O)(=O)N)C(F)(F)F","RZEKVGVHFLEQIL-UHFFFAOYSA-N",2662,TRUE,"PDBC00571","719627","Present",NA,NA
+"572","Radicicol",NA,NA,NA,NA,NA,NA,"monorden",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WYZWZEOGROVVHK-GTMNPGAYSA-N",6323491,NA,"PDBC00572",NA,"Absent",NA,NA
+"573","Calmidazolium",NA,NA,NA,NA,NA,NA,"calmidazolium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccc(cc1)C(c2ccc(Cl)cc2)[n+]3ccn(CC(OCc4ccc(Cl)cc4Cl)c5ccc(Cl)cc5Cl)c3","CTKNMSVWMRRCPW-UHFFFAOYSA-N",2531,NA,"PDBC00573",NA,"Absent",NA,NA
+"574","Iloprost",NA,NA,NA,NA,NA,NA,"iloprost",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC#CCC(C)[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2C/C(=C\CCCC(=O)O)/C[C@H]12","HIFJCPQKFCZDDL-ACWOEMLNSA-N",5311181,TRUE,"PDBC00574",NA,"Absent",NA,NA
+"575","Fluphenazine",NA,NA,NA,NA,NA,NA,"fluphenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluphenazine dihydrochloride","Fluphenazine",NA,"OCCN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1","PLDUPXSUYLZYBN-UHFFFAOYSA-N",3372,TRUE,"PDBC00575","755764///755768///757816///92339","Present",NA,NA
+"576","Dopamine",NA,NA,NA,NA,NA,NA,"dopamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCc1ccc(O)c(O)c1","VYFYYTLLBUKUHU-UHFFFAOYSA-N",681,TRUE,"PDBC00576",NA,"Absent",NA,NA
+"577","Haloperidol",NA,NA,NA,NA,NA,NA,"haloperidol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Haloperidol",NA,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Cl)cc3","LNEPOXFFQSENCJ-UHFFFAOYSA-N",3559,TRUE,"PDBC00577","615296","Present",NA,NA
+"578","Novobiocin",NA,NA,NA,NA,NA,NA,"novobiocin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"albadry","novobiocin","CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)O)CC=C(C)C)OC4C(C(C(C(O4)(C)C)OC)OC(=O)N)O","YJQPYGGHQPGBLI-KGSXXDOSSA-N",54675769,TRUE,"PDBC00578","2382","Present",NA,NA
+"579","LY-294002",NA,NA,NA,"LY294002",NA,NA,"LY-294002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-294002",NA,"O=c1cc(oc2c(cccc12)c3ccccc3)N4CCOCC4","CZQHHVNHHHRRDU-UHFFFAOYSA-N",3973,NA,"PDBC00579","755769///697286","Present",NA,NA
+"580","Sodium phenylbutyrate",NA,NA,NA,NA,NA,NA,"sodium phenylbutyrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)CCCc1ccccc1","VPZRWNZGLKXFOE-UHFFFAOYSA-M",5258,TRUE,"PDBC00580",NA,"Absent",NA,NA
+"581","Troglitazone",NA,NA,NA,NA,NA,NA,"troglitazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1c(C)c2O[C@](C)(COc3ccc(C[C@H]4SC(=O)NC4=O)cc3)CCc2c(C)c1O","GXPHKUHSUJUWKP-UHFFFAOYSA-N",5591,TRUE,"PDBC00581",NA,"Absent",NA,NA
+"582","Metformin",NA,NA,NA,NA,NA,NA,"metformin",NA,NA,NA,"Metformin",NA,NA,"Metformin",NA,NA,NA,NA,NA,NA,NA,"CN(C)C(=N)NC(=N)N","XZWYZXLIPXDOLR-UHFFFAOYSA-N",4091,TRUE,"PDBC00582",NA,"Absent",NA,NA
+"583","Phenformin",NA,NA,NA,NA,NA,NA,"phenformin",NA,NA,NA,NA,"Phenformin",NA,NA,"Phenformin",NA,NA,NA,NA,"dipar///NSC756501",NA,"C1=CC=C(C=C1)CCN=C(N)N=C(N)N","ICFJFFQQTFMIBG-UHFFFAOYSA-N",8249,NA,"PDBC00583","23100///756501","Present",NA,NA
+"584","1-Phenylbiguanide",NA,NA,NA,NA,NA,NA,"phenyl biguanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-phenylbiguanide","NC(=N)NC(=N)Nc1ccccc1","CUQCMXFWIMOWRP-UHFFFAOYSA-N",4780,NA,"PDBC00584",NA,"Present",NA,NA
+"585","Estradiol",NA,NA,NA,NA,NA,NA,"estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"estradiol","C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CC[C@@H]1O","VOXZDWNPVJITMN-ZBRFXRBCSA-N",5757,TRUE,"PDBC00585",NA,"Present",NA,NA
+"586","Alfatradiol",NA,NA,NA,NA,NA,NA,"alpha-estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]2CC[C@H]1O","VOXZDWNPVJITMN-SFFUCWETSA-N",68570,NA,"PDBC00586",NA,"Absent",NA,NA
+"587","Mesalamine",NA,NA,NA,NA,NA,NA,"mesalazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mesalamine",NA,NA,"Nc1ccc(O)c(c1)C(=O)O","KBOPZPXVLCULAV-UHFFFAOYSA-N",4075,NA,"PDBC00587",NA,"Absent",NA,NA
+"588","Chlorpropamide",NA,NA,NA,NA,NA,NA,"chlorpropamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chlorpropamide","CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1","RKWGIWYCVPQPMF-UHFFFAOYSA-N",2727,TRUE,"PDBC00588",NA,"Present",NA,NA
+"589","Tolbutamide",NA,NA,NA,NA,NA,NA,"tolbutamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1","JLRGJRBPOGGCBT-UHFFFAOYSA-N",5505,TRUE,"PDBC00589",NA,"Absent",NA,NA
+"590","Verapamil",NA,NA,NA,NA,NA,NA,"verapamil",NA,NA,NA,NA,NA,NA,"Verapamil",NA,NA,NA,NA,NA,NA,NA,"COc1ccc(CCN(C)CCC[C@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC","SGTNSNPWRIOYBX-UHFFFAOYSA-N",2520,TRUE,"PDBC00590",NA,"Absent",NA,NA
+"591","Dexverapamil",NA,NA,NA,NA,NA,NA,"dexverapamil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC","SGTNSNPWRIOYBX-HHHXNRCGSA-N",65808,NA,"PDBC00591",NA,"Absent",NA,NA
+"592","Exemestane",NA,NA,NA,NA,NA,NA,"exemestane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Exemestane","exemestane","C[C@@]12CC[C@H]3[C@@H](CC(=C)C4=CC(=O)C=C[C@]34C)[C@@H]2CCC1=O","BFYIZQONLCFLEV-DAELLWKTSA-N",60198,TRUE,"PDBC00592","713563","Present",NA,NA
+"593","Rofecoxib",NA,NA,NA,NA,NA,NA,"rofecoxib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rofecoxib",NA,"CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3ccccc3","RZJQGNCSTQAWON-UHFFFAOYSA-N",5090,TRUE,"PDBC00593","720256","Present",NA,NA
+"594","Amitriptyline",NA,NA,NA,NA,NA,NA,"amitriptyline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCC=C1c2ccccc2CCc3ccccc13","KRMDCWKBEZIMAB-UHFFFAOYSA-N",2160,TRUE,"PDBC00594",NA,"Absent",NA,NA
+"595","Sulindac",NA,NA,NA,NA,NA,NA,"sulindac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC/1=C(CC(=O)O)c2cc(F)ccc2\C1=C/c3ccc(cc3)S(=O)C","MLKXDPUZXIRXEP-MFOYZWKCSA-N",1548887,TRUE,"PDBC00595",NA,"Absent",NA,NA
+"596","Phenelzine",NA,NA,NA,NA,NA,NA,"phenelzine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenelzine","NNCCc1ccccc1","RMUCZJUITONUFY-UHFFFAOYSA-N",3675,TRUE,"PDBC00596",NA,"Present",NA,NA
+"597","Fluoxetine",NA,NA,NA,NA,NA,NA,"fluoxetine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluoxetine hydrochloride",NA,NA,"CNCC[C@@H](Oc1ccc(cc1)C(F)(F)F)c2ccccc2","RTHCYVBBDHJXIQ-UHFFFAOYSA-N",3386,TRUE,"PDBC00597",NA,"Absent",NA,NA
+"598","15-delta prostaglandin J2",NA,NA,NA,NA,NA,NA,"15-delta prostaglandin J2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC/C=C/C=C/1\[C@@H](C/C=C\CCCC(=O)O)C=CC1=O",NA,NA,NA,"PDBC00598",NA,"Absent",NA,NA
+"599","Nordihydroguaiaretic acid",NA,NA,NA,NA,NA,NA,"nordihydroguaiaretic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Masoprocol",NA,"CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2",NA,4534,NA,"PDBC00599","4291","Present",NA,NA
+"600","Raloxifene",NA,NA,NA,NA,NA,NA,"raloxifene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Raloxifene","raloxifene","Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4","GZUITABIAKMVPG-UHFFFAOYSA-N",5035,TRUE,"PDBC00600","761389///747974","Present",NA,NA
+"601","Sulfasalazine",NA,NA,NA,NA,NA,NA,"sulfasalazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sulfasalazine","OC(=O)c1cc(N=Nc2ccc(cc2)S(=O)(=O)Nc3ccccn3)ccc1O","NCEXYHBECQHGNR-UHFFFAOYSA-N",5353980,TRUE,"PDBC00601",NA,"Present",NA,NA
+"602","COX-2 Inhibitor I",NA,NA,NA,NA,NA,NA,"LM-1685",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)c1cc2cc(ccc2n1Cc3ccc(Cl)cc3)S(=O)(=O)C","UBZBOEWMQPWUKB-UHFFFAOYSA-N",10068193,NA,"PDBC00602",NA,"Absent",NA,NA
+"603","SC-58125",NA,NA,NA,NA,NA,NA,"SC-58125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(F)(F)F","JHBIMJKLBUMNAU-UHFFFAOYSA-N",115239,NA,"PDBC00603",NA,"Absent",NA,NA
+"604","Tomelukast",NA,NA,NA,NA,NA,NA,"tomelukast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCc1c(O)c(ccc1OCCCCc2nnn[nH]2)C(=O)C","MWYHLEQJTQJHSS-UHFFFAOYSA-N",3969,NA,"PDBC00604",NA,"Absent",NA,NA
+"605","Wortmannin",NA,NA,NA,NA,NA,NA,"wortmannin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WORTMANNIN",NA,"COC[C@H]1OC(=O)c2coc3C(=O)C4=C([C@@H](C[C@@]5(C)C4CCC5=O)OC(=O)C)[C@]1(C)c23","QDLHCMPXEPAAMD-QAIWCSMKSA-N",312145,NA,"PDBC00605","221019","Present",NA,NA
+"606","Clofibrate",NA,NA,NA,NA,NA,NA,"clofibrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clofibrate","clofibrate","CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1","KNHUKKLJHYUCFP-UHFFFAOYSA-N",2796,TRUE,"PDBC00606","79389","Present",NA,NA
+"607","MK-886",NA,NA,NA,NA,NA,NA,"MK-886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-886",NA,"CC(C)c1ccc2n(Cc3ccc(Cl)cc3)c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c2c1","QAOAOVKBIIKRNL-UHFFFAOYSA-N",3651377,NA,"PDBC00607","736463","Present",NA,NA
+"608","Genistein",NA,NA,NA,NA,NA,NA,"genistein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Genistein","GENISTEIN",NA,"C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O


+","TZBJGXHYKVUXJN-UHFFFAOYSA-N",5280961,NA,"PDBC00608","36586","Present",NA,NA
+"609","Prednisolone",NA,NA,NA,NA,NA,NA,"prednisolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prednisolone///prednisolone-acetate","CC12CC(C3C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC34C)O","OIGNJSKKLXVSLS-VWUMJDOOSA-N",5755,TRUE,"PDBC00609",NA,"Present",NA,NA
+"610","Thalidomide",NA,NA,NA,NA,NA,NA,"thalidomide","thalidomide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thalidomide",NA,"O=C1N(C2CCC(=O)NC2=O)C(=O)c3ccccc13","UEJJHQNACJXSKW-UHFFFAOYSA-N",5426,TRUE,"PDBC00610","66847","Present",NA,NA
+"611","Fludrocortisone",NA,NA,NA,NA,NA,NA,"fludrocortisone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)OCC(=O)[C@@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C","AAXVEMMRQDVLJB-BULBTXNYSA-N",31378,TRUE,"PDBC00611",NA,"Absent",NA,NA
+"612","Quercetin",NA,NA,NA,NA,NA,NA,"quercetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quercetin dihydrate","Quercetin",NA,"Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3","REFJWTPEDVJJIY-UHFFFAOYSA-N",5280343,NA,"PDBC00612","756660///9219","Present",NA,NA
+"613","Fulvestrant",NA,NA,NA,NA,NA,NA,"fulvestrant","fulvestrant",NA,NA,NA,NA,NA,NA,"Fulvestrant",NA,NA,NA,NA,"Fulvestrant","fulvestrant","C[C@@]12CC[C@H]3C([C@@H]2CC[C@@H]1O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34","VWUXBMIQPBEWFH-WCCTWKNTSA-N",104741,TRUE,"PDBC00613","719276","Present",NA,NA
+"614","Sulindac sulfide",NA,NA,NA,"Sulindac sulfide",NA,NA,"sulindac sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CSc1ccc(C=C2C(=C(CC(=O)O)c3cc(F)ccc23)C)cc1","LFWHFZJPXXOYNR-MFOYZWKCSA-N",5352624,NA,"PDBC00614",NA,"Present",NA,NA
+"615","Sulindac sulfone",NA,NA,NA,NA,NA,NA,"exisulind",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC/1=C(CC(=O)O)c2cc(F)ccc2\C1=C/c3ccc(cc3)S(=O)(=O)C","MVGSNCBCUWPVDA-MFOYZWKCSA-N",5472495,NA,"PDBC00615",NA,"Absent",NA,NA
+"616","Flufenamic acid",NA,NA,NA,NA,NA,NA,"flufenamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"flufenamic-acid","OC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F","LPEPZBJOKDYZAD-UHFFFAOYSA-N",3371,NA,"PDBC00616",NA,"Present",NA,NA
+"617","Diclofenac",NA,NA,NA,NA,NA,NA,"diclofenac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl","DCOPUUMXTXDBNB-UHFFFAOYSA-N",3033,TRUE,"PDBC00617",NA,"Absent",NA,NA
+"618","Nitrendipine",NA,NA,NA,NA,NA,NA,"nitrendipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C","PVHUJELLJLJGLN-UHFFFAOYSA-N",4507,NA,"PDBC00618",NA,"Absent",NA,NA
+"619","Felodipine",NA,NA,NA,NA,NA,NA,"felodipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)C1=C(C)NC(=C([C@H]1c2cccc(Cl)c2Cl)C(=O)OC)C","RZTAMFZIAATZDJ-UHFFFAOYSA-N",3333,TRUE,"PDBC00619",NA,"Absent",NA,NA
+"620","Azathioprine",NA,NA,NA,NA,NA,NA,"azathioprine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azathioprine (usan)///Azathioprine Sodium","azathioprine","Cn1cnc([N+](=O)[O-])c1Sc2[nH]cnc3ncnc23","LMEKQMALGUDUQG-UHFFFAOYSA-N",2265,TRUE,"PDBC00620","755900///39084","Present",NA,NA
+"621","Fasudil",NA,NA,NA,NA,NA,NA,"fasudil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=S(=O)(N1CCCNCC1)c2cccc3cnccc23","LFVPBERIVUNMGV-UHFFFAOYSA-N",163751,NA,"PDBC00621",NA,"Absent",NA,NA
+"622","Clozapine",NA,NA,NA,NA,NA,NA,"clozapine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCN(CC1)C2=Nc3cc(Cl)ccc3Nc4ccccc24","ZUXABONWMNSFBN-UHFFFAOYSA-N",2818,TRUE,"PDBC00622",NA,"Absent",NA,NA
+"623","Thioridazine",NA,NA,NA,NA,NA,NA,"thioridazine",NA,NA,NA,NA,NA,NA,"Thioridazine",NA,NA,NA,NA,"Thioridazine hydrochloride",NA,NA,"CSc1ccc2Sc3ccccc3N(CCC4CCCCN4C)c2c1","KLBQZWRITKRQQV-UHFFFAOYSA-N",5452,TRUE,"PDBC00623",NA,"Absent",NA,NA
+"624","Chlorpromazine",NA,NA,NA,NA,NA,NA,"chlorpromazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorpromazine hydrochloride","Chlorpromazine",NA,"CN(C)CCCN1c2ccccc2Sc3ccc(Cl)cc13","ZPEIMTDSQAKGNT-UHFFFAOYSA-N",2726,TRUE,"PDBC00624","756661///756689","Present",NA,NA
+"625","Dibutyryl cAMP",NA,NA,NA,NA,NA,NA,"bucladesine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bucladesine sodium salt",NA,"bucladesine","CCCC(=O)Nc1ncnc2n(cnc12)C3O[C@@H]4COP(=O)(O)O[C@H]4[C@H]3OC(=O)CCC","CJGYSWNGNKCJSB-YVLZZHOMSA-N",9687,NA,"PDBC00625",NA,"Present",NA,NA
+"626","Monastrol",NA,NA,NA,NA,NA,NA,"monastrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Monastrol",NA,"CCOC(=O)C1=C(C)NC(=S)NC1c2cccc(O)c2","LOBCDGHHHHGHFA-UHFFFAOYSA-N",2987927,NA,"PDBC00626","716782","Present",NA,NA
+"627","Staurosporine",NA,NA,NA,NA,NA,NA,"staurosporine","staurosporine",NA,NA,NA,NA,NA,NA,"Staurosporine",NA,"Staurosporine",NA,NA,"Staurosporine",NA,"CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35","HKSZLNNOFSGOKW-FYTWVXJKSA-N",44259,NA,"PDBC00627","755774///618487","Present",NA,NA
+"628","N-Phenylanthranilic acid",NA,NA,NA,NA,NA,NA,"N-phenylanthranilic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)c1ccccc1Nc2ccccc2","ZWJINEZUASEZBH-UHFFFAOYSA-N",4386,NA,"PDBC00628",NA,"Absent",NA,NA
+"629","Oxamic acid",NA,NA,NA,NA,NA,NA,"oxamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=O)C(=O)O","SOWBFZRMHSNYGE-UHFFFAOYSA-N",974,NA,"PDBC00629",NA,"Absent",NA,NA
+"630","W-13",NA,NA,NA,NA,NA,NA,"W-13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCCCNS(=O)(=O)c1ccc2c(Cl)cccc2c1","QKAALLVQBOLELJ-UHFFFAOYSA-N",16760706,NA,"PDBC00630",NA,"Absent",NA,NA
+"631","Arachidonic acid",NA,NA,NA,NA,NA,NA,"arachidonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O","YZXBAPSDXZZRGB-DOFZRALJSA-N",444899,NA,"PDBC00631",NA,"Absent",NA,NA
+"632","1,5-isoquinolinediol",NA,NA,NA,NA,NA,NA,"1,5-isoquinolinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oc1cccc2c(O)nccc12","LFUJIPVWTMGYDG-UHFFFAOYSA-N",1340,NA,"PDBC00632",NA,"Absent",NA,NA
+"633","Nocodazole",NA,NA,NA,NA,NA,NA,"nocodazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nocodazole","nocodazole///Nocodazole","nocodazole","COC(=O)Nc1nc2cc(ccc2[nH]1)C(=O)c3cccs3","KYRVNWMVYQXFEU-UHFFFAOYSA-N",4122,NA,"PDBC00633","759882///238159","Present",NA,NA
+"634","Alvespimycin",NA,NA,NA,NA,NA,NA,"alvespimycin",NA,NA,NA,NA,NA,NA,"17-DMAG",NA,NA,NA,NA,NA,"Alvespimycin","alvespimycin","CO[C@@H]1C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)/C(=C/C=C\[C@@H](OC)[C@H](OC(=O)N)/C(=C/[C@@H](C)[C@@H]1O)/C)/C)C2=O","KUFRQPKVAWMTJO-LMZWQJSESA-N",5288674,NA,"PDBC00634","707545","Present",NA,NA
+"635","Leflunomide",NA,NA,NA,NA,NA,NA,"leflunomide",NA,NA,NA,NA,NA,NA,NA,"Leflunomide",NA,NA,NA,NA,"leflunomide",NA,"Cc1oncc1C(=O)Nc2ccc(cc2)C(F)(F)F","VHOGYURTWQBHIL-UHFFFAOYSA-N",3899,TRUE,"PDBC00635","677411","Present",NA,NA
+"636","5186324",NA,NA,NA,NA,NA,NA,"5186324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brc1ccc(NC(=O)c2ccc(cc2)N3C(=O)c4ccc(cc4C3=O)C(=O)Nc5ccc(Br)cc5)cc1",NA,NA,NA,"PDBC00636",NA,"Absent",NA,NA
+"637","Butirosina",NA,NA,NA,NA,NA,NA,"butirosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCC(O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H]3O)[C@H]1O","XEQLFNPSYWZPOW-PEILNVOGSA-N",3000429,NA,"PDBC00637",NA,"Absent",NA,NA
+"638","5253409",NA,NA,NA,NA,NA,NA,"5253409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccc(C(=O)n2nnc3ccccc23)c(Cl)c1",NA,NA,NA,"PDBC00638",NA,"Absent",NA,NA
+"639","5140203",NA,NA,NA,NA,NA,NA,"5140203",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[O-][N+](=O)c1ccc(OC(=O)CN2C(=O)c3ccccc3C2=O)cc1",NA,NA,NA,"PDBC00639",NA,"Absent",NA,NA
+"640","Ethyl docosa-2,4,6,8,10,12-hexaenoate",NA,NA,NA,NA,NA,NA,"docosahexaenoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC","TYLNXKAVUJJPMU-UHFFFAOYSA-N",150680,NA,"PDBC00640",NA,"Absent",NA,NA
+"641","4,5-dianilinophthalimide",NA,NA,NA,NA,NA,NA,"4,5-dianilinophthalimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGP-52411","O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc4ccccc4)cc12","AAALVYBICLMAMA-UHFFFAOYSA-N",1697,NA,"PDBC00641",NA,"Present",NA,NA
+"642","Fisetin",NA,NA,NA,NA,NA,NA,"fisetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"viset",NA,"Oc1ccc2c(=O)c(O)c(oc2c1)c3ccc(O)c(O)c3","XHEFDIBZLJXQHF-UHFFFAOYSA-N",5281614,NA,"PDBC00642","407010","Present",NA,NA
+"643","Hnmpa-(AM)3",NA,NA,NA,NA,NA,NA,"HNMPA-(AM)3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)OCOC(c1ccc2ccccc2c1)P(=O)(OCOC(=O)C)OCOC(=O)C","UQODAZKXEREJLZ-UHFFFAOYSA-N",3619,NA,"PDBC00643",NA,"Absent",NA,NA
+"644","U0125",NA,NA,NA,NA,NA,NA,"U0125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N/C(=C(/C#N)\C(=C(/N)\Sc1ccccc1)\C#N)/Sc2ccccc2","AVMMKRWZZLXNPR-VNXZMULNSA-N",24906258,NA,"PDBC00644",NA,"Absent",NA,NA
+"645","Splitomicin",NA,NA,NA,NA,NA,NA,"splitomicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C1CCc2c(O1)ccc3ccccc23","ISFPDBUKMJDAJH-UHFFFAOYSA-N",5269,NA,"PDBC00645",NA,"Absent",NA,NA
+"646","Resveratrol",NA,NA,NA,NA,NA,NA,"resveratrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RESVERATROL",NA,"Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1","LUKBXSAWLPMMSZ-OWOJBTEDSA-N",445154,NA,"PDBC00646","327430","Present",NA,NA
+"647","Isotretinoin",NA,NA,NA,NA,NA,NA,"isotretinoin///Prestwick-642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isotretinoin",NA,"C/C(=C\C=C\C(=C/C(=O)O)\C)/C=C/C1=C(C)CCCC1(C)C","SHGAZHPCJJPHSC-XFYACQKRSA-N",5282379,TRUE,"PDBC00647","122758","Present",NA,NA
+"648","Probucol",NA,NA,NA,NA,NA,NA,"probucol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Probucol","bisbid",NA,"CC(C)(C)c1cc(SC(C)(C)Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C","FYPMFJGVHOHGLL-UHFFFAOYSA-N",4912,TRUE,"PDBC00648","86225","Present",NA,NA
+"649","5666823",NA,NA,NA,NA,NA,NA,"5666823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)C1=C(C)NC(=S)NC1c2cccc(OC)c2",NA,NA,NA,"PDBC00649",NA,"Absent",NA,NA
+"650","Hydroflumethiazide",NA,NA,NA,NA,NA,NA,"hydroflumethiazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F","DMDGGSIALPNSEE-UHFFFAOYSA-N",3647,TRUE,"PDBC00650",NA,"Absent",NA,NA
+"651","Benserazide",NA,NA,NA,NA,NA,NA,"benserazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benserazide hydrochloride",NA,NA,"NC(CO)C(=O)NNCc1ccc(O)c(O)c1O","BNQDCRGUHNALGH-UHFFFAOYSA-N",2327,NA,"PDBC00651",NA,"Absent",NA,NA
+"652","Pentamidine",NA,NA,NA,NA,NA,NA,"pentamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentamidine isethionate","pentamide","pentamidine","NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1","XDRYMKDFEDOLFX-UHFFFAOYSA-N",4735,TRUE,"PDBC00652","9921","Present",NA,NA
+"653","(-)-Scopolamine",NA,NA,NA,NA,NA,NA,"scopolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C2C[C@@H](C[C@H]1[C@H]3OC32)OC(=O)[C@H](CO)c4ccccc4","STECJAGHUSJQJN-UHFFFAOYSA-N",5184,TRUE,"PDBC00653",NA,"Absent",NA,NA
+"654","Bisacodyl",NA,NA,NA,NA,NA,NA,"bisacodyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisacodyl, active ingredient of Viraplex///bisacodyl (usan)","bisacodyl","CC(=O)Oc1ccc(cc1)C(c2ccc(OC(=O)C)cc2)c3ccccn3","KHOITXIGCFIULA-UHFFFAOYSA-N",2391,TRUE,"PDBC00654","614826///755914","Present",NA,NA
+"655","Acebutolol",NA,NA,NA,NA,NA,NA,"acebutolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(c1)C(=O)C","GOEMGAFJFRBGGG-UHFFFAOYSA-N",1978,TRUE,"PDBC00655",NA,"Absent",NA,NA
+"656","Aceclofenac",NA,NA,NA,NA,NA,NA,"aceclofenac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)COC(=O)Cc1ccccc1Nc2c(Cl)cccc2Cl","MNIPYSSQXLZQLJ-UHFFFAOYSA-N",71771,NA,"PDBC00656",NA,"Absent",NA,NA
+"657","Acemetacin",NA,NA,NA,NA,NA,NA,"acemetacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)OCC(=O)O)c2c1","FSQKKOOTNAMONP-UHFFFAOYSA-N",1981,NA,"PDBC00657",NA,"Absent",NA,NA
+"658","Acenocoumarol",NA,NA,NA,NA,NA,NA,"acenocoumarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)CC(c1ccc(cc1)[N+](=O)[O-])c2c(O)c3ccccc3oc2=O","VABCILAOYCMVPS-UHFFFAOYSA-N",54676537,NA,"PDBC00658",NA,"Absent",NA,NA
+"659","Acetaminophen",NA,NA,NA,NA,NA,NA,"paracetamol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetaminophen",NA,NA,"CC(=O)Nc1ccc(O)cc1","RZVAJINKPMORJF-UHFFFAOYSA-N",1983,NA,"PDBC00659",NA,"Absent",NA,NA
+"660","Acetazolamide",NA,NA,NA,NA,NA,NA,"acetazolamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetazolamide","CC(=O)Nc1nnc(s1)S(=O)(=O)N","BZKPWHYZMXOIDC-UHFFFAOYSA-N",1986,TRUE,"PDBC00660",NA,"Present",NA,NA
+"661","Acetohexamide",NA,NA,NA,NA,NA,NA,"acetohexamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)c1ccc(cc1)S(=O)(=O)NC(=O)NC2CCCCC2","VGZSUPCWNCWDAN-UHFFFAOYSA-N",1989,TRUE,"PDBC00661",NA,"Absent",NA,NA
+"662","Acepromazine",NA,NA,NA,NA,NA,NA,"acepromazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(=O)C","NOSIYYJFMPDDSA-UHFFFAOYSA-N",6077,NA,"PDBC00662",NA,"Absent",NA,NA
+"663","Acyclovir",NA,NA,NA,NA,NA,NA,"aciclovir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1nc2n(COCCO)cnc2c(=O)[nH]1","MKUXAQIIEYXACX-UHFFFAOYSA-N",2022,NA,"PDBC00663",NA,"Absent",NA,NA
+"664","Adiphenine",NA,NA,NA,NA,NA,NA,"adiphenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adiphenine HCl",NA,NA,"CCN(CC)CCOC(=O)C(c1ccccc1)c2ccccc2","JGOAIQNSOGZNBX-UHFFFAOYSA-N",2031,NA,"PDBC00664",NA,"Absent",NA,NA
+"665","Ajmalin",NA,NA,NA,NA,NA,NA,"ajmaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[C@@H]1[C@@H](O)N2C3C[C@@]45C(O)C3C1CC2C5N(C)c6ccccc64","CJDRUOGAGYHKKD-HEFSZTOGSA-N",441080,NA,"PDBC00665",NA,"Absent",NA,NA
+"666","Albendazole",NA,NA,NA,NA,NA,NA,"albendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Albendazole","albendazole (usan)","albendazole","CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1","HXHWSAZORRCQMX-UHFFFAOYSA-N",2082,TRUE,"PDBC00666","758644","Present",NA,NA
+"667","Salbutamol",NA,NA,NA,NA,NA,NA,"salbutamol///Prestwick-665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)NCC(O)c1ccc(O)c(CO)c1","NDAUXUAQIAJITI-UHFFFAOYSA-N",2083,NA,"PDBC00667",NA,"Absent",NA,NA
+"668","Alclometasone",NA,NA,NA,NA,NA,NA,"alclometasone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(=O)OCC(=O)C1(OC(=O)CC)[C@H](C)C[C@H]2[C@@H]3[C@H](Cl)CC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C","FJXOGVLKCZQRDN-PHCHRAKRSA-N",5311000,TRUE,"PDBC00668",NA,"Absent",NA,NA
+"669","Alfuzosin",NA,NA,NA,NA,NA,NA,"alfuzosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc2nc(nc(N)c2cc1OC)N(C)CCCNC(=O)[C@@H]3CCCO3","WNMJYKCGWZFFKR-UHFFFAOYSA-N",2092,TRUE,"PDBC00669",NA,"Absent",NA,NA
+"670","Allantoin",NA,NA,NA,NA,NA,NA,"allantoin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alantan",NA,"NC(=O)NC1NC(=O)NC1=O","POJWUDADGALRAB-UHFFFAOYSA-N",204,NA,"PDBC00670","7606","Present",NA,NA
+"671","Alprenolol",NA,NA,NA,NA,NA,NA,"alprenolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)NCC(O)COc1ccccc1CC=C","PAZJSJFMUHDSTF-UHFFFAOYSA-N",2119,NA,"PDBC00671",NA,"Absent",NA,NA
+"672","Altretamine",NA,NA,NA,NA,NA,NA,"altretamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Altretamine","Altretamine","altretamine","CN(C)c1nc(nc(n1)N(C)C)N(C)C","UUVWYPNAQBNQJQ-UHFFFAOYSA-N",2123,TRUE,"PDBC00672","13875","Present",NA,NA
+"673","Alverine",NA,NA,NA,NA,NA,NA,"alverine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CCCc1ccccc1)CCCc2ccccc2","ZPFXAOWNKLFJDN-UHFFFAOYSA-N",3678,NA,"PDBC00673",NA,"Absent",NA,NA
+"674","Amantadine",NA,NA,NA,NA,NA,NA,"amantadine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC1(CC2CC3CC(C2)C1)C3","DKNWSYNQZKUICI-UHFFFAOYSA-N",2130,TRUE,"PDBC00674",NA,"Absent",NA,NA
+"675","Ambroxol",NA,NA,NA,NA,NA,NA,"ambroxol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1c(Br)cc(Br)cc1CNC2CCC(O)CC2","JBDGDEWWOUBZPM-XYPYZODXSA-N",2132,NA,"PDBC00675",NA,"Absent",NA,NA
+"676","Amikacin",NA,NA,NA,NA,NA,NA,"amikacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCC[C@@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O","LKCWBDHBTVXHDL-RMDFUYIESA-N",37768,TRUE,"PDBC00676",NA,"Absent",NA,NA
+"677","Amiloride",NA,NA,NA,NA,NA,NA,"amiloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=N)NC(=O)c1nc(Cl)c(N)nc1N","XSDQTOBWRPYKKA-UHFFFAOYSA-N",16231,TRUE,"PDBC00677",NA,"Absent",NA,NA
+"678","Aminocaproic acid",NA,NA,NA,NA,NA,NA,"aminocaproic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminocaproic acid",NA,NA,"NCCCCCC(=O)O","SLXKOJJOQWFEFD-UHFFFAOYSA-N",517030,TRUE,"PDBC00678",NA,"Absent",NA,NA
+"679","Aminoglutethimide",NA,NA,NA,NA,NA,NA,"aminoglutethimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminoglutethimide","aminoglutethimide","CCC1(CCC(=O)NC1=O)c2ccc(N)cc2","ROBVIMPUHSLWNV-UHFFFAOYSA-N",2145,TRUE,"PDBC00679","330915","Present",NA,NA
+"680","Aminohippuric acid",NA,NA,NA,NA,NA,NA,"aminohippuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1ccc(cc1)C(=O)NCC(=O)O","HSMNQINEKMPTIC-UHFFFAOYSA-N",2148,NA,"PDBC00680",NA,"Absent",NA,NA
+"681","Aminophylline",NA,NA,NA,NA,NA,NA,"aminophylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C2=C(C(=O)N(C1=O)C)NC=N2.CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N","FQPFAHBPWDRTLU-UHFFFAOYSA-N",9433,TRUE,"PDBC00681",NA,"Absent",NA,NA
+"682","Amiodarone",NA,NA,NA,NA,NA,NA,"amiodarone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amiodarone hydrochloride",NA,NA,"CCCCc1oc2ccccc2c1C(=O)c3cc(I)c(OCCN(CC)CC)c(I)c3","IYIKLHRQXLHMJQ-UHFFFAOYSA-N",2157,TRUE,"PDBC00682",NA,"Absent",NA,NA
+"683","Amoxapine",NA,NA,NA,NA,NA,NA,"amoxapine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amoxapine (usan)",NA,"Clc1ccc2Oc3ccccc3N=C(N4CCNCC4)c2c1","QWGDMFLQWFTERH-UHFFFAOYSA-N",2170,TRUE,"PDBC00683","759559","Present",NA,NA
+"684","Amoxicillin",NA,NA,NA,NA,NA,NA,"amoxicillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amoxicillin","CC1(C)S[C@@H]2[C@H](NC(=O)C(N)c3ccc(O)cc3)C(=O)N2[C@H]1C(=O)O","LSQZJLSUYDQPKJ-NJBDSQKTSA-N",33613,TRUE,"PDBC00684",NA,"Present",NA,NA
+"685","Amphotericin b",NA,NA,NA,NA,NA,NA,"amphotericin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amphotericin B",NA,"CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O","APKFDSVGJQXUKY-INPOYWNPSA-N",5280965,TRUE,"PDBC00685","527017///755871","Present",NA,NA
+"686","Ampicillin",NA,NA,NA,NA,NA,NA,"ampicillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)O","AVKUERGKIZMTKX-NJBDSQKTSA-N",6249,TRUE,"PDBC00686",NA,"Absent",NA,NA
+"687","Amprolio",NA,NA,NA,NA,NA,NA,"amprolium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amprolium","CCCc1ncc(C[n+]2ccccc2C)c(N)n1","LCTXBFGHZLGBNU-UHFFFAOYSA-M",73341,NA,"PDBC00687",NA,"Present",NA,NA
+"688","Amrinone",NA,NA,NA,NA,NA,NA,"amrinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1cc(c[nH]c1=O)c2ccncc2","RNLQIBCLLYYYFJ-UHFFFAOYSA-N",3698,TRUE,"PDBC00688",NA,"Absent",NA,NA
+"689","Antazoline",NA,NA,NA,NA,NA,NA,"antazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3","REYFJDPCWQRWAA-UHFFFAOYSA-N",2200,TRUE,"PDBC00689",NA,"Absent",NA,NA
+"690","Apomorphine",NA,NA,NA,NA,NA,NA,"apomorphine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCc2cccc-3c2[C@H]1Cc4ccc(O)c(O)c43","VMWNQDUVQKEIOC-CYBMUJFWSA-N",6005,TRUE,"PDBC00690",NA,"Absent",NA,NA
+"691","Ascorbic acid",NA,NA,NA,NA,NA,NA,"ascorbic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ascorbic Acid",NA,"OCC(O)C1OC(=O)C(=C1O)O","CIWBSHSKHKDKBQ-JLAZNSOCSA-N",54670067,TRUE,"PDBC00691","33832","Present",NA,NA
+"692","Atovaquone",NA,NA,NA,NA,NA,NA,"atovaquone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC1=C([C@H]2CC[C@@H](CC2)c3ccc(Cl)cc3)C(=O)c4ccccc4C1=O","KUCQYCKVKVOKAY-CTYIDZIISA-N",74989,TRUE,"PDBC00692",NA,"Absent",NA,NA
+"693","Atracurium besylate",NA,NA,NA,NA,NA,NA,"atracurium besilate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(CC2c3cc(OC)c(OC)cc3CC[N+]2(C)CCC(=O)OCCCCCOC(=O)CC[N+]4(C)CCc5cc(OC)c(OC)cc5C4Cc6ccc(OC)c(OC)c6)cc1OC","XXZSQOVSEBAPGS-UHFFFAOYSA-L",47320,NA,"PDBC00693",NA,"Absent",NA,NA
+"694","Atropine",NA,NA,NA,NA,NA,NA,"atropine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","RKUNBYITZUJHSG-PJPHBNEVSA-O",21608699,TRUE,"PDBC00694",NA,"Absent",NA,NA
+"695","Azacitidine",NA,NA,NA,NA,NA,NA,"azacitidine","azacitidine","Azacitidine",NA,NA,NA,NA,NA,NA,NA,NA,"Azacitidine","Azacytidine-5","Azacitidine///AZACITIDINE","azacitidine","Nc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1","NMUSYJAQQFHJEW-KVTDHHQDSA-N",9444,TRUE,"PDBC00695","758186///102816","Present",NA,NA
+"696","Azlocillin",NA,NA,NA,NA,NA,NA,"azlocillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c4ccccc4)C(=O)N2C1C(=O)O","JTWOMNBEOCYFNV-NFFDBFGFSA-N",6479523,TRUE,"PDBC00696",NA,"Absent",NA,NA
+"697","Azactam",NA,NA,NA,NA,NA,NA,"aztreonam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aztreonam","C[C@H]1[C@H](NC(=O)C(=NOC(C)(C)C(=O)O)c2csc(N)n2)C(=O)N1S(=O)(=O)O","WZPBZJONDBGPKJ-VEHQQRBSSA-N",5742832,TRUE,"PDBC00697",NA,"Present",NA,NA
+"698","Bacampicillin",NA,NA,NA,NA,NA,NA,"bacampicillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)O[C@@H](C)OC(=O)C1N2C(SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O","PFOLLRNADZZWEX-FFGRCDKISA-N",441397,TRUE,"PDBC00698",NA,"Absent",NA,NA
+"699","Bacitracin A",NA,NA,NA,NA,NA,NA,"bacitracin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(C)C(N)C1=NC(CS1)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NCCCCC2NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc3c[nH]cn3)NC(=O)C(Cc4ccccc4)NC(=O)C(NC(=O)C(CCCN)NC2=O)C(C)CC","CLKOFPXJLQSYAH-ABRJDSQDSA-N",10909430,TRUE,"PDBC00699",NA,"Absent",NA,NA
+"700","Baclofen",NA,NA,NA,NA,NA,NA,"baclofen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCC(CC(=O)O)c1ccc(Cl)cc1","KPYSYYIEGFHWSV-UHFFFAOYSA-N",2284,TRUE,"PDBC00700",NA,"Absent",NA,NA
+"701","Bambuterol",NA,NA,NA,NA,NA,NA,"bambuterol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)C(=O)Oc1cc(OC(=O)N(C)C)cc(c1)C(O)CNC(C)(C)C","ANZXOIAKUNOVQU-UHFFFAOYSA-N",54766,NA,"PDBC00701",NA,"Absent",NA,NA
+"702","Beclomethasone",NA,NA,NA,NA,NA,NA,"beclometasone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@@]21C","NBMKJKDGKREAPL-DVTGEIKXSA-N",20469,NA,"PDBC00702",NA,"Absent",NA,NA
+"703","Bemegride",NA,NA,NA,NA,NA,NA,"bemegride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC1(C)CC(=O)NC(=O)C1","ORRZGUBHBVWWOP-UHFFFAOYSA-N",2310,NA,"PDBC00703",NA,"Absent",NA,NA
+"704","Bendroflumethiazide",NA,NA,NA,NA,NA,NA,"bendroflumethiazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bendroflumethiazide","NS(=O)(=O)c1cc2c(NC(Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F","HDWIHXWEUNVBIY-UHFFFAOYSA-N",2315,TRUE,"PDBC00704",NA,"Present",NA,NA
+"705","Benfluorex",NA,NA,NA,NA,NA,NA,"benfluorex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2","CJAVTWRYCDNHSM-UHFFFAOYSA-N",2318,NA,"PDBC00705",NA,"Absent",NA,NA
+"706","Benzoylthiamine monophosphate",NA,NA,NA,NA,NA,NA,"benfotiamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benfotiamine","C/C(=C(/CCOP(=O)(O)O)\SC(=O)c1ccccc1)/N(Cc2cnc(C)nc2N)C=O","BTNNPSLJPBRMLZ-LGMDPLHJSA-N",3032771,NA,"PDBC00706",NA,"Present",NA,NA
+"707","Oxybuprocaine",NA,NA,NA,NA,NA,NA,"oxybuprocaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC","CMHHMUWAYWTMGS-UHFFFAOYSA-N",4633,NA,"PDBC00707",NA,"Absent",NA,NA
+"708","Benzbromarone",NA,NA,NA,NA,NA,NA,"benzbromarone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"desuric",NA,"CCc1oc2ccccc2c1C(=O)c3cc(Br)c(O)c(Br)c3","WHQCHUCQKNIQEC-UHFFFAOYSA-N",2333,NA,"PDBC00708","85433","Present",NA,NA
+"709","Benzethonium chloride",NA,NA,NA,NA,NA,NA,"benzethonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzethonium Chloride",NA,"CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1","UREZNYTWGJKWBI-UHFFFAOYSA-M",8478,NA,"PDBC00709","755908///20200","Present",NA,NA
+"710","Benzocaine",NA,NA,NA,NA,NA,NA,"benzocaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzocaine","CCOC(=O)c1ccc(N)cc1","BLFLLBZGZJTVJG-UHFFFAOYSA-N",2337,NA,"PDBC00710",NA,"Present",NA,NA
+"711","Benzonatate",NA,NA,NA,NA,NA,NA,"benzonatate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCNc1ccc(cc1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC","MAFMQEKGGFWBAB-UHFFFAOYSA-N",7699,TRUE,"PDBC00711",NA,"Absent",NA,NA
+"712","Benzthiazide",NA,NA,NA,NA,NA,NA,"benzthiazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NS(=O)(=O)c1cc2c(N=C(CSCc3ccccc3)NS2(=O)=O)cc1Cl","NDTSRXAMMQDVSW-UHFFFAOYSA-N",2343,TRUE,"PDBC00712",NA,"Absent",NA,NA
+"713","Benzydamine",NA,NA,NA,NA,NA,NA,"benzydamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzydamine","CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13","CNBGNNVCVSKAQZ-UHFFFAOYSA-N",12555,NA,"PDBC00713",NA,"Present",NA,NA
+"714","Bephenium hydroxynaphthoate",NA,NA,NA,NA,NA,NA,"bephenium hydroxynaphthoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bephenium-hydroxynaphthoate","C[N+](C)(CCOc1ccccc1)Cc2ccccc2.OC(=O)c1cc2ccccc2cc1O","PMPQCPQAHTXCDK-UHFFFAOYSA-M",54678490,NA,"PDBC00714",NA,"Present",NA,NA
+"715","Bepridil",NA,NA,NA,NA,NA,NA,"bepridil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bepridil hydrochloride ",NA,NA,"CC(C)COC[C@H](CN(Cc1ccccc1)c2ccccc2)N3CCCC3","UIEATEWHFDRYRU-UHFFFAOYSA-N",2351,TRUE,"PDBC00715",NA,"Absent",NA,NA
+"716","Berberine",NA,NA,NA,NA,NA,NA,"berberine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"berberine","COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC","YBHILYKTIRIUTE-UHFFFAOYSA-N",2353,NA,"PDBC00716",NA,"Present",NA,NA
+"717","Aescin",NA,NA,NA,NA,NA,NA,"beta-escin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C/C=C(/C)\C(=O)O[C@@H]1[C@H](OC(=O)C)[C@]2(CO)[C@H](O)C[C@]3(C)C(=CCC4[C@@]5(C)CC[C@H](O[C@@H]6O[C@@H]([C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]8O[C@H](CO)[C@@H](O)[C@H](O)[C@H]8O)C(=O)O)[C@](C)(CO)C5CC[C@]43C)C2CC1(C)C","AXNVHPCVMSNXNP-ZELRDNAQSA-N",6540709,NA,"PDBC00717",NA,"Absent",NA,NA
+"718","Betahistine",NA,NA,NA,NA,NA,NA,"betahistine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNCCc1ccccn1","UUQMNUMQCIQDMZ-UHFFFAOYSA-N",2366,NA,"PDBC00718",NA,"Absent",NA,NA
+"719","Betamethasone",NA,NA,NA,NA,NA,NA,"betamethasone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"betamethasone","C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO","UREBDLICKHMUKA-DVTGEIKXSA-N",9782,TRUE,"PDBC00719",NA,"Present",NA,NA
+"720","Betaxolol",NA,NA,NA,NA,NA,NA,"betaxolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)NC[C@H](O)COc1ccc(CCOCC2CC2)cc1","NWIUTZDMDHAVTP-UHFFFAOYSA-N",2369,TRUE,"PDBC00720",NA,"Absent",NA,NA
+"721","Bethanechol",NA,NA,NA,NA,NA,NA,"bethanechol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C[N+](C)(C)C)OC(=O)N","XXRMYXBSBOVVBH-UHFFFAOYSA-N",11548,TRUE,"PDBC00721",NA,"Absent",NA,NA
+"722","Bezafibrate",NA,NA,NA,NA,NA,NA,"bezafibrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(Oc1ccc(CCNC(=O)C2C=CC(=Cl)C=C2)cc1)C(=O)O","IIBYAHWJQTYFKB-UHFFFAOYSA-N",39042,NA,"PDBC00722",NA,"Absent",NA,NA
+"723","Biotin",NA,NA,NA,NA,NA,NA,"biotin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12","YBJHBAHKTGYVGT-ZKWXMUAHSA-N",171548,TRUE,"PDBC00723",NA,"Absent",NA,NA
+"724","Biperiden",NA,NA,NA,NA,NA,NA,"biperiden",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(CCN1CCCCC1)(C2CC3CC2C=C3)c4ccccc4","YSXKPIUOCJLQIE-UHFFFAOYSA-N",2381,TRUE,"PDBC00724",NA,"Absent",NA,NA
+"725","Bisoprolol",NA,NA,NA,NA,NA,NA,"bisoprolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)NC[C@H](O)COc1ccc(COCCOC(C)C)cc1","VHYCDWMUTMEGQY-UHFFFAOYSA-N",2405,TRUE,"PDBC00725",NA,"Absent",NA,NA
+"726","Bretylium tosylate",NA,NA,NA,NA,NA,NA,"bretylium tosilate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bretylium tosylate",NA,NA,"CC[N+](C)(C)Cc1ccccc1Br","KVWNWTZZBKCOPM-UHFFFAOYSA-M",6100,NA,"PDBC00726",NA,"Absent",NA,NA
+"727","Bromocriptine",NA,NA,NA,NA,NA,NA,"bromocriptine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bromocryptine mesylate",NA,NA,"CC(C)CC1N2C(=O)[C@](NC(=O)C3CN(C)[C@@H]4Cc5c(Br)[nH]c6cccc(C4=C3)c56)(OC2(O)[C@@H]7CCCN7C1=O)C(C)C","OZVBMTJYIDMWIL-AYFBDAFISA-N",31101,TRUE,"PDBC00727",NA,"Absent",NA,NA
+"728","Bromopride",NA,NA,NA,NA,NA,NA,"bromopride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC","GIYAQDDTCWHPPL-UHFFFAOYSA-N",2446,NA,"PDBC00728",NA,"Absent",NA,NA
+"729","Bromperidol",NA,NA,NA,NA,NA,NA,"bromperidol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3ccc(Br)cc3","RKLNONIVDFXQRX-UHFFFAOYSA-N",2448,NA,"PDBC00729",NA,"Absent",NA,NA
+"730","Brompheniramine",NA,NA,NA,NA,NA,NA,"brompheniramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCC(c1ccc(Br)cc1)c2ccccn2","ZDIGNSYAACHWNL-UHFFFAOYSA-N",6834,TRUE,"PDBC00730",NA,"Absent",NA,NA
+"731","Pulmicort",NA,NA,NA,NA,NA,NA,"budesonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCC1O[C@@H]2CC3C4CCC5=CC(=O)C=CC5(C)C4[C@@H](O)CC3(C)[C@@]2(O1)C(=O)CO","VOVIALXJUBGFJZ-KWVAZRHASA-N",5281004,TRUE,"PDBC00731",NA,"Absent",NA,NA
+"732","Bufexamac",NA,NA,NA,NA,NA,NA,"bufexamac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCOc1ccc(CC(=O)NO)cc1","MXJWRABVEGLYDG-UHFFFAOYSA-N",2466,NA,"PDBC00732",NA,"Absent",NA,NA
+"733","Buflomedil",NA,NA,NA,NA,NA,NA,"buflomedil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1","OWYLAEYXIQKAOL-UHFFFAOYSA-N",2467,NA,"PDBC00733",NA,"Absent",NA,NA
+"734","Bumetanide",NA,NA,NA,NA,NA,NA,"bumetanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bumetanide","CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)N)C(=O)O","MAEIEVLCKWDQJH-UHFFFAOYSA-N",2471,TRUE,"PDBC00734",NA,"Present",NA,NA
+"735","Bupivacaine",NA,NA,NA,NA,NA,NA,"bupivacaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCN1CCCCC1C(=O)Nc2c(C)cccc2C","LEBVLXFERQHONN-UHFFFAOYSA-N",2474,TRUE,"PDBC00735",NA,"Absent",NA,NA
+"736","Bupropion",NA,NA,NA,NA,NA,NA,"bupropion",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H](NC(C)(C)C)C(=O)c1cccc(Cl)c1","SNPPWIUOZRMYNY-UHFFFAOYSA-N",444,TRUE,"PDBC00736",NA,"Absent",NA,NA
+"737","Buspirone",NA,NA,NA,NA,NA,NA,"buspirone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Buspirone hydrochloride",NA,NA,"O=C1CC2(CCCC2)CC(=O)N1CCCCN3CCN(CC3)c4ncccn4","QWCRAEMEVRGPNT-UHFFFAOYSA-N",2477,TRUE,"PDBC00737",NA,"Absent",NA,NA
+"738","Butoconazole",NA,NA,NA,NA,NA,NA,"butoconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BUTOCONAZOLE",NA,"Clc1ccc(CCC(Cn2ccnc2)Sc3c(Cl)cccc3Cl)cc1","SWLMUYACZKCSHZ-UHFFFAOYSA-N",47472,TRUE,"PDBC00738","758658","Present",NA,NA
+"739","Calcium D-pantothenate",NA,NA,NA,NA,NA,NA,"calcium pantothenate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(CO)[C@H](O)C(=O)NCCC(=O)O","FAPWYRCQGJNNSJ-UHFFFAOYSA-L",2529,NA,"PDBC00739",NA,"Absent",NA,NA
+"740","Cantharidin",NA,NA,NA,NA,NA,NA,"cantharidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kantaridin",NA,"CC12C3CCC(O3)C2(C)C(=O)OC1=O","DHZBEENLJMYSHQ-XCVPVQRUSA-N",5944,NA,"PDBC00740","61805","Present",NA,NA
+"741","Captopril",NA,NA,NA,NA,NA,NA,"captopril",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O","FAKRSMQSSFJEIM-RQJHMYQMSA-N",44093,TRUE,"PDBC00741",NA,"Absent",NA,NA
+"742","Carbachol",NA,NA,NA,NA,NA,NA,"carbachol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"carbachol","C[N+](C)(C)CCOC(=O)N","VPJXQGSRWJZDOB-UHFFFAOYSA-O",2551,TRUE,"PDBC00742",NA,"Present",NA,NA
+"743","Carbarsone",NA,NA,NA,NA,NA,NA,"carbarsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kutan",NA,"NC(=O)Nc1ccc(cc1)[As](=O)(O)O","WWXBHTZSYYGCSG-UHFFFAOYSA-N",8480,NA,"PDBC00743","32868","Present",NA,NA
+"744","Carbenoxolone",NA,NA,NA,NA,NA,NA,"carbenoxolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)[C@H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@]43C)C(=O)O)OC(=O)CCC(=O)O","OBZHEBDUNPOCJG-WBXJDKIVSA-N",636403,NA,"PDBC00744",NA,"Absent",NA,NA
+"745","Carbimazole",NA,NA,NA,NA,NA,NA,"carbimazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)n1ccn(C)c1=S","CFOYWRHIYXMDOT-UHFFFAOYSA-N",31072,NA,"PDBC00745",NA,"Absent",NA,NA
+"746","Carbinoxamine",NA,NA,NA,NA,NA,NA,"carbinoxamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2","OJFSXZCBGQGRNV-UHFFFAOYSA-N",2564,TRUE,"PDBC00746",NA,"Absent",NA,NA
+"747","Carisoprodol",NA,NA,NA,NA,NA,NA,"carisoprodol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCC(C)(COC(=O)N)COC(=O)NC(C)C","OFZCIYFFPZCNJE-UHFFFAOYSA-N",2576,TRUE,"PDBC00747",NA,"Absent",NA,NA
+"748","Carteolol",NA,NA,NA,NA,NA,NA,"carteolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12","LWAFSWPYPHEXKX-UHFFFAOYSA-N",2583,TRUE,"PDBC00748",NA,"Absent",NA,NA
+"749","Cefaclor",NA,NA,NA,NA,NA,NA,"cefaclor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N[C@H](C(=O)N[C@@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3","QYIYFLOTGYLRGG-GPCCPHFNSA-N",51039,TRUE,"PDBC00749",NA,"Absent",NA,NA
+"750","Cefadroxil",NA,NA,NA,NA,NA,NA,"cefadroxil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C2=O)C(=O)O","BOEGTKLJZSQCCD-UEKVPHQBSA-N",47965,TRUE,"PDBC00750",NA,"Absent",NA,NA
+"751","Cefamandole",NA,NA,NA,NA,NA,NA,"cefamandole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cn1nnnc1SCC2=C(N3C(SC2)[C@H](NC(=O)C(O)c4ccccc4)C3=O)C(=O)O","OLVCFLKTBJRLHI-AXAPSJFSSA-N",456255,TRUE,"PDBC00751",NA,"Absent",NA,NA
+"752","Cefazolin",NA,NA,NA,NA,NA,NA,"cefazolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cefazolin sodium salt",NA,NA,"Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn4cnnn4)C3=O)C(=O)O)s1","MLYYVTUWGNIJIB-BXKDBHETSA-N",33255,TRUE,"PDBC00752",NA,"Absent",NA,NA
+"753","Cefixime",NA,NA,NA,NA,NA,NA,"cefixime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1nc(cs1)/C(=N/OCC(=O)O)/C(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)C=C","OKBVVJOGVLARMR-QSWIMTSFSA-N",5362065,TRUE,"PDBC00753",NA,"Absent",NA,NA
+"754","Cefmetazole",NA,NA,NA,NA,NA,NA,"cefmetazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO[C@]1(NC(=O)CSCC#N)C2SCC(=C(N2C1=O)C(=O)O)CSc3nnnn3C","SNBUBQHDYVFSQF-HIFRSBDPSA-N",42008,TRUE,"PDBC00754",NA,"Absent",NA,NA
+"755","Cefoperazone",NA,NA,NA,NA,NA,NA,"cefoperazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1CCN(C(=O)NC(C(=O)N[C@H]2C3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4C)c5ccc(O)cc5)C(=O)C1=O","GCFBRXLSHGKWDP-XCGNWRKASA-N",44187,TRUE,"PDBC00755",NA,"Absent",NA,NA
+"756","Cefotaxime",NA,NA,NA,NA,NA,NA,"cefotaxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CON=C(C(=O)N[C@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)COC(=O)C)c3csc(N)n3","GPRBEKHLDVQUJE-QSWIMTSFSA-N",5742673,TRUE,"PDBC00756",NA,"Absent",NA,NA
+"757","Cefotetan",NA,NA,NA,NA,NA,NA,"cefotetan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO[C@]1(NC(=O)C2SC(=C(C(=O)N)C(=O)O)S2)[C@H]3SCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C","SRZNHPXWXCNNDU-RHBCBLIFSA-N",53025,TRUE,"PDBC00757",NA,"Absent",NA,NA
+"758","Cefotiam",NA,NA,NA,NA,NA,NA,"cefotiam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCn1nnnc1SCC2=C(N3[C@H](SC2)[C@@H](NC(=O)Cc4csc(N)n4)C3=O)C(=O)O","QYQDKDWGWDOFFU-IUODEOHRSA-N",43708,TRUE,"PDBC00758",NA,"Absent",NA,NA
+"759","Cefoxitin",NA,NA,NA,NA,NA,NA,"cefoxitin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO[C@]1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)N","WZOZEZRFJCJXNZ-ZBFHGGJFSA-N",441199,TRUE,"PDBC00759",NA,"Absent",NA,NA
+"760","Cefsulodine",NA,NA,NA,NA,NA,NA,"cefsulodin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=O)c1cc[n+](CC2=C(N3C(SC2)[C@H](NC(=O)C(c4ccccc4)S(=O)(=O)O)C3=O)C(=O)O)cc1","REACMANCWHKJSM-WXNNVNCASA-N",23702659,NA,"PDBC00760",NA,"Absent",NA,NA
+"761","Ceftazidime",NA,NA,NA,NA,NA,NA,"ceftazidime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(ON=C(C(=O)N[C@@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[n+]3ccccc3)c4csc(N)n4)C(=O)O","ORFOPKXBNMVMKC-DWVKKRMSSA-N",5481173,TRUE,"PDBC00761",NA,"Absent",NA,NA
+"762","Zinacef",NA,NA,NA,NA,NA,NA,"cefuroxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CON=C(C(=O)N[C@H]1C2SCC(=C(N2C1=O)C(=O)O)COC(=O)N)c3ccco3","JFPVXVDWJQMJEE-IZRZKJBUSA-N",5479529,TRUE,"PDBC00762",NA,"Absent",NA,NA
+"763","Cephalexin",NA,NA,NA,NA,NA,NA,"cefalexin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=C(N2[C@H](SC1)[C@@H](NC(=O)[C@@H](N)c3ccccc3)C2=O)C(=O)O","ZAIPMKNFIOOWCQ-UEKVPHQBSA-N",27447,NA,"PDBC00763",NA,"Absent",NA,NA
+"764","Cephalothin",NA,NA,NA,NA,NA,NA,"cefalotin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O","XIURVHNZVLADCM-IUODEOHRSA-N",6024,NA,"PDBC00764",NA,"Absent",NA,NA
+"765","Cephapirin",NA,NA,NA,NA,NA,NA,"cefapirin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc3ccncc3)C2=O)C(=O)O","UQLLWWBDSUHNEB-CZUORRHYSA-N",30699,NA,"PDBC00765",NA,"Absent",NA,NA
+"766","Cetirizine",NA,NA,NA,NA,NA,NA,"cetirizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)COCCN1CCN(CC1)[C@@H](c2ccccc2)c3ccc(Cl)cc3","ZKLPARSLTMPFCP-UHFFFAOYSA-N",2678,TRUE,"PDBC00766",NA,"Absent",NA,NA
+"767","Chenodeoxycholic acid",NA,NA,NA,NA,NA,NA,"chenodeoxycholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chenodeoxycholic acid///Chenodeoxycholic acid",NA,"C[C@H](CCC(=O)O)[C@H]1CCC2C3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C","RUDATBOHQWOJDD-BSWAIDMHSA-N",10133,NA,"PDBC00767","681066///657949","Present",NA,NA
+"768","Chlorambucil",NA,NA,NA,NA,NA,NA,"chlorambucil","chlorambucil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorambucil","chlorambucil","OC(=O)CCCc1ccc(cc1)N(CCCl)CCCl","JCKYGMPEJWAADB-UHFFFAOYSA-N",2708,TRUE,"PDBC00768","3088","Present",NA,NA
+"769","Chloramphenicol",NA,NA,NA,NA,NA,NA,"chloramphenicol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloramphenicol",NA,"OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+](=O)[O-]","WIIZWVCIJKGZOK-RKDXNWHRSA-N",5959,TRUE,"PDBC00769","3069","Present",NA,NA
+"770","Chlorhexidine",NA,NA,NA,NA,NA,NA,"chlorhexidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorhexidine","Chlorhexidine dihydrochloride","chlorhexidine","C1=CC(=CC=C1NC(=NC(=NCCCCCCN=C(N)N=C(N)NC2=CC=C(C=C2)Cl)N)N)Cl","GHXZTYHSJHQHIJ-UHFFFAOYSA-N",9552079,TRUE,"PDBC00770","756679","Present",NA,NA
+"771","Chlormezanone",NA,NA,NA,NA,NA,NA,"chlormezanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C(c2ccc(Cl)cc2)S(=O)(=O)CCC1=O","WEQAYVWKMWHEJO-UHFFFAOYSA-N",2717,TRUE,"PDBC00771",NA,"Absent",NA,NA
+"772","Chloroquine",NA,NA,NA,"Chloroquine",NA,NA,"chloroquine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12","WHTVZRBIWZFKQO-UHFFFAOYSA-N",2719,TRUE,"PDBC00772",NA,"Present",NA,NA
+"773","Chlorphenesin",NA,NA,NA,NA,NA,NA,"chlorphenesin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=O)OCC(O)COc1ccc(Cl)cc1","MXOAEAUPQDYUQM-UHFFFAOYSA-N",7697,TRUE,"PDBC00773",NA,"Absent",NA,NA
+"774","Chlorpheniramine",NA,NA,NA,NA,NA,NA,"chlorphenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2","SOYKEARSMXGVTM-UHFFFAOYSA-N",2725,NA,"PDBC00774",NA,"Absent",NA,NA
+"775","Chlortetracycline",NA,NA,NA,NA,NA,NA,"chlortetracycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)ccc(Cl)c4[C@@]3(C)O","DHPRQBPJLMKORJ-XRNKAMNCSA-N",54675777,TRUE,"PDBC00775",NA,"Absent",NA,NA
+"776","Chlorthalidone",NA,NA,NA,NA,NA,NA,"chlortalidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NS(=O)(=O)c1cc(ccc1Cl)C2(O)NC(=O)c3ccccc32","JIVPVXMEBJLZRO-UHFFFAOYSA-N",2732,NA,"PDBC00776",NA,"Absent",NA,NA
+"777","Chlorzoxazone",NA,NA,NA,NA,NA,NA,"chlorzoxazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccc2oc(=O)[nH]c2c1","TZFWDZFKRBELIQ-UHFFFAOYSA-N",2733,TRUE,"PDBC00777",NA,"Absent",NA,NA
+"778","Ciclopirox",NA,NA,NA,NA,NA,NA,"ciclopirox","ciclopirox",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ciclopirox ethanolamine",NA,"ciclopirox","Cc1cc(C2CCCCC2)n(O)c(=O)c1","SCKYRAXSEDYPSA-UHFFFAOYSA-N",2749,TRUE,"PDBC00778",NA,"Present",NA,NA
+"779","Cimetidine",NA,NA,NA,NA,NA,NA,"cimetidine","cimetidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cimetidine","cimetidine","CNC(=NC#N)NCCSCc1nc[nH]c1C","AQIXAKUUQRKLND-UHFFFAOYSA-N",2756,TRUE,"PDBC00779","335308","Present",NA,NA
+"780","Cinnarizine",NA,NA,NA,NA,NA,NA,"cinnarizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(/C=C/c1ccccc1)N2CCN(CC2)C(c3ccccc3)c4ccccc4","DERZBLKQOCDDDZ-JLHYYAGUSA-N",1547484,NA,"PDBC00780",NA,"Absent",NA,NA
+"781","Cinoxacin",NA,NA,NA,NA,NA,NA,"cinoxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCn1nc(C(=O)O)c(=O)c2cc3OCOc3cc12","VDUWPHTZYNWKRN-UHFFFAOYSA-N",2762,TRUE,"PDBC00781",NA,"Absent",NA,NA
+"782","Ciprofloxacin",NA,NA,NA,NA,NA,NA,"ciprofloxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)c1cn(C2CC2)c3cc(N4CCNCC4)c(F)cc3c1=O","MYSWGUAQZAJSOK-UHFFFAOYSA-N",2764,TRUE,"PDBC00782",NA,"Absent",NA,NA
+"783","Cisapride",NA,NA,NA,NA,NA,NA,"cisapride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO[C@H]1CN(CCCOc2ccc(F)cc2)CC[C@H]1NC(=O)c3cc(Cl)c(N)cc3OC","DCSUBABJRXZOMT-UHFFFAOYSA-N",2769,TRUE,"PDBC00783",NA,"Absent",NA,NA
+"784","Citalopram",NA,NA,NA,NA,NA,NA,"citalopram",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCC[C@@]1(OCc2cc(C#N)ccc21)c3ccc(F)cc3","WSEQXVZVJXJVFP-UHFFFAOYSA-N",2771,TRUE,"PDBC00784",NA,"Absent",NA,NA
+"785","Clebopride",NA,NA,NA,NA,NA,NA,"clebopride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clebopride","COc1cc(N)c(Cl)cc1C(=O)NC2CCN(Cc3ccccc3)CC2","BVPWJMCABCPUQY-UHFFFAOYSA-N",2780,NA,"PDBC00785",NA,"Present",NA,NA
+"786","Clemastine",NA,NA,NA,NA,NA,NA,"clemastine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clemastine fumarate",NA,NA,"CN1CCC[C@@H]1CCO[C@](C)(c2ccccc2)c3ccc(Cl)cc3","YNNUSGIPVFPVBX-NHCUHLMSSA-N",26987,TRUE,"PDBC00786",NA,"Absent",NA,NA
+"787","Clemizole",NA,NA,NA,NA,NA,NA,"clemizole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clemizole",NA,"Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1","CJXAEXPPLWQRFR-UHFFFAOYSA-N",2782,NA,"PDBC00787","46261","Present",NA,NA
+"788","Clenbuterol",NA,NA,NA,NA,NA,NA,"clenbuterol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clenbuterol","CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1","STJMRWALKKWQGH-UHFFFAOYSA-N",2783,NA,"PDBC00788",NA,"Present",NA,NA
+"789","Clidinium bromide",NA,NA,NA,NA,NA,NA,"clidinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[N+]1(CCC2CC1)CC2OC(=O)C(O)(c3ccccc3)c4ccccc4","GKEGFOKQMZHVOW-UHFFFAOYSA-M",19004,TRUE,"PDBC00789",NA,"Absent",NA,NA
+"790","Clindamycin",NA,NA,NA,NA,NA,NA,"clindamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)C2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O","KDLRVYVGXIQJDK-AWPVFWJPSA-N",446598,TRUE,"PDBC00790",NA,"Absent",NA,NA
+"791","Clioquinol",NA,NA,NA,NA,NA,NA,"clioquinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clioquinol///CLIOQUINOL",NA,"Oc1c(I)cc(Cl)c2cccnc12","QCDFBFJGMNKBDO-UHFFFAOYSA-N",2788,TRUE,"PDBC00791","3531///759822","Present",NA,NA
+"792","Clobetasol",NA,NA,NA,NA,NA,NA,"clobetasol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(=O)O[C@@]1([C@@H](C)CC2C3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C)C(=O)CCl","FCSHDIVRCWTZOX-DVTGEIKXSA-N",5311051,TRUE,"PDBC00792",NA,"Absent",NA,NA
+"793","Clofazimine",NA,NA,NA,NA,NA,NA,"clofazimine///Prestwick-685",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clofazimine","clofazimine","CC(C)/N=c/1\cc2n(c3ccc(Cl)cc3)c4ccccc4nc2cc1Nc5ccc(Cl)cc5","WDQPAMHFFCXSNU-UHFFFAOYSA-N",2794,TRUE,"PDBC00793","759283///141046","Present",NA,NA
+"794","Clomiphene",NA,NA,NA,NA,NA,NA,"clomifene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clomiphene citrate (Z.E) ",NA,NA,"CCN(CC)CCOc1ccc(cc1)/C(=C(\Cl)/c2ccccc2)/c3ccccc3","GKIRPKYJQBWNGO-QPLCGJKRSA-N",1548955,NA,"PDBC00794",NA,"Absent",NA,NA
+"795","Clomipramine",NA,NA,NA,NA,NA,NA,"clomipramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clomipramine hydrochloride",NA,NA,"CN(C)CCCN1c2ccccc2CCc3ccc(Cl)cc13","GDLIGKIOYRNHDA-UHFFFAOYSA-N",2801,TRUE,"PDBC00795",NA,"Absent",NA,NA
+"796","Clonidine",NA,NA,NA,NA,NA,NA,"clonidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1cccc(Cl)c1N=C2NCCN2","GJSURZIOUXUGAL-UHFFFAOYSA-N",2803,TRUE,"PDBC00796",NA,"Absent",NA,NA
+"797","Clopamide",NA,NA,NA,NA,NA,NA,"clopamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clopamide","CC1CCCC(C)N1NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N","LBXHRAWDUMTPSE-UHFFFAOYSA-N",2804,NA,"PDBC00797",NA,"Present",NA,NA
+"798","Cloperastine",NA,NA,NA,NA,NA,NA,"cloperastine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccc(cc1)C(OCCN2CCCCC2)c3ccccc3","FLNXBVJLPJNOSI-UHFFFAOYSA-N",2805,NA,"PDBC00798",NA,"Absent",NA,NA
+"799","Clotrimazole",NA,NA,NA,NA,NA,NA,"clotrimazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clotrimazole","clotrimazole","Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4","VNFPBHJOKIVQEB-UHFFFAOYSA-N",2812,TRUE,"PDBC00799","257473///756700","Present",NA,NA
+"800","Cloxacillin",NA,NA,NA,NA,NA,NA,"cloxacillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4Cl","LQOLIRLGBULYKD-JKIFEVAISA-N",6098,TRUE,"PDBC00800",NA,"Absent",NA,NA
+"801","Colistin",NA,NA,NA,NA,NA,NA,"colistin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)CCCCC(=O)N[C@H](CCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CCN)C(=O)N[C@@H]1CCNC(=O)[C@@H](NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CNC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)C(C)C)[C@@H](C)O","YKQOSKADJPQZHB-QNPLFGSASA-N",5311054,TRUE,"PDBC00801",NA,"Absent",NA,NA
+"802","Cortisone",NA,NA,NA,NA,NA,NA,"cortisone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"corlin",NA,"C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@]1(O)C(=O)CO","MFYSYFVPBJMHGN-ZPOLXVRWSA-N",222786,NA,"PDBC00802","9703","Present",NA,NA
+"803","Cromolyn",NA,NA,NA,NA,NA,NA,"cromoglicic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(COc1cccc2oc(cc(=O)c12)C(=O)O)COc3cccc4oc(cc(=O)c34)C(=O)O","IMZMKUWMOSJXDT-UHFFFAOYSA-N",2882,NA,"PDBC00803",NA,"Absent",NA,NA
+"804","Crotamiton",NA,NA,NA,NA,NA,NA,"crotamiton",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(C(=O)/C=C/C)c1ccccc1C","DNTGGZPQPQTDQF-XBXARRHUSA-N",688020,TRUE,"PDBC00804",NA,"Absent",NA,NA
+"805","Cyanocobalamin",NA,NA,NA,NA,NA,NA,"cyanocobalamin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(=O)N)[C@H]2N=C1/C(=C/3\N=C(/C=C/4\N=C(/C(=C\5/[C@@H](CCC(=O)N)[C@](C)(CC(=O)N)[C@@]2(C)N5[Co+]C#N)/C)\[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)\C(C)(C)[C@@H]3CCC(=O)N)/C)OP(=O)(O)O[C@H]6[C@@H](O)[C@H](O[C@@H]6CO)n7cnc8cc(C)c(C)cc78","RMRCNWBMXRMIRW-WZHZPDAFSA-L",60205005,TRUE,"PDBC00805",NA,"Absent",NA,NA
+"806","Cyclacillin",NA,NA,NA,NA,NA,NA,"ciclacillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclacillin",NA,"CC1(C)S[C@@H]2[C@H](NC(=O)C3(N)CCCCC3)C(=O)N2[C@H]1C(=O)O","HGBLNBBNRORJKI-WCABBAIRSA-N",19003,NA,"PDBC00806","88789","Present",NA,NA
+"807","Cyclizine",NA,NA,NA,NA,NA,NA,"cyclizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCN(CC1)C(c2ccccc2)c3ccccc3","UVKZSORBKUEBAZ-UHFFFAOYSA-N",6726,TRUE,"PDBC00807",NA,"Absent",NA,NA
+"808","Cyclobenzaprine",NA,NA,NA,NA,NA,NA,"cyclobenzaprine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCC=C1c2ccccc2C=Cc3ccccc13","JURKNVYFZMSNLP-UHFFFAOYSA-N",2895,TRUE,"PDBC00808",NA,"Absent",NA,NA
+"809","Cycloheximide",NA,NA,NA,NA,NA,NA,"cicloheximide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cactinomycin///cycloheximide (usan)","cycloheximide","C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@@H](O)CC2CC(=O)NC(=O)C2","YPHMISFOHDHNIV-FSZOTQKASA-N",6197,NA,"PDBC00809","185///758187","Present",NA,NA
+"810","Cyclopentolate",NA,NA,NA,NA,NA,NA,"cyclopentolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2","SKYSRIRYMSLOIN-UHFFFAOYSA-N",2905,TRUE,"PDBC00810",NA,"Absent",NA,NA
+"811","Cyproheptadine",NA,NA,NA,NA,NA,NA,"cyproheptadine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyproheptadine","CN1CCC(=C2c3ccccc3C=Cc4ccccc24)CC1","JJCFRYNCJDLXIK-UHFFFAOYSA-N",2913,TRUE,"PDBC00811",NA,"Present",NA,NA
+"812","Cyproterone",NA,NA,NA,NA,NA,NA,"cyproterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)[C@@]1(O)CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@@]21C","DUSHUSLJJMDGTE-ZJPMUUANSA-N",5284537,NA,"PDBC00812",NA,"Absent",NA,NA
+"813","Tubocurarine chloride",NA,NA,NA,NA,NA,NA,"tubocurarine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc2CC[N+](C)(C)[C@@H]3Cc4ccc(O)c(Oc5cc6[C@H](Cc7ccc(Oc(c1O)c32)cc7)N(C)CCc6cc5OC)c4","JFJZZMVDLULRGK-URLMMPGGSA-O",6000,TRUE,"PDBC00813",NA,"Absent",NA,NA
+"814","DTIC-Dome",NA,NA,NA,NA,NA,NA,"dacarbazine","dacarbazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DACARBAZINE","dacarbazine","CN(C)N=Nc1[nH]cnc1C(=O)N","FDKXTQMXEQVLRF-ZHACJKMWSA-N",5353562,TRUE,"PDBC00814","45388","Present",NA,NA
+"815","Danazol",NA,NA,NA,NA,NA,NA,"danazol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"danazol","C[C@@]12CCC3C(CCC4=Cc5oncc5C[C@]34C)C2CC[C@@]1(O)C#C","POZRVZJJTULAOH-LHZXLZLDSA-N",28417,TRUE,"PDBC00815",NA,"Present",NA,NA
+"816","Dantrolene",NA,NA,NA,NA,NA,NA,"dantrolene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[O-][N+](=O)c1ccc(cc1)c2ccc(/C=N/N3CC(=O)NC3=O)o2","OZOMQRBLCMDCEG-VIZOYTHASA-N",6914273,TRUE,"PDBC00816",NA,"Absent",NA,NA
+"817","Dapsone",NA,NA,NA,NA,NA,NA,"dapsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dadps",NA,"Nc1ccc(cc1)S(=O)(=O)c2ccc(N)cc2","MQJKPEGWNLWLTK-UHFFFAOYSA-N",2955,TRUE,"PDBC00817","6091","Present",NA,NA
+"818","Daunorubicin",NA,NA,NA,NA,NA,NA,"daunorubicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Daunorubicin hydrochloride","DAUNORUBICIN///Daunorubicin","daunorubicin","COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C","STQGQHZAVUOBTE-VGBVRHCVSA-N",30323,TRUE,"PDBC00818","756717///82151///83142","Present",NA,NA
+"819","Decamethonium bromide",NA,NA,NA,NA,NA,NA,"decamethonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C","HLXQFVXURMXRPU-UHFFFAOYSA-L",10921,TRUE,"PDBC00819",NA,"Absent",NA,NA
+"820","Dehydroepiandrosterone",NA,NA,NA,NA,NA,NA,"prasterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diandron",NA,"C[C@@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]2CCC1=O","FMGSKLZLMKYGDP-USOAJAOKSA-N",5881,TRUE,"PDBC00820","9896","Present",NA,NA
+"821","Demecarium bromide",NA,NA,NA,NA,NA,NA,"demecarium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(CCCCCCCCCCN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C)C(=O)Oc2cccc(c2)[N+](C)(C)C","YHKBUDZECQDYBR-UHFFFAOYSA-L",5965,TRUE,"PDBC00821",NA,"Absent",NA,NA
+"822","Demeclocycline",NA,NA,NA,NA,NA,NA,"demeclocycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N","FMTDIUIBLCQGJB-SEYHBJAFSA-N",54680690,TRUE,"PDBC00822",NA,"Absent",NA,NA
+"823","Dibenzheptropine",NA,NA,NA,NA,NA,NA,"deptropine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C2CCC1CC(C2)OC3c4ccccc4CCc5ccccc35","ZWPODSUQWXAZNC-PMOLBWCYSA-N",203911,NA,"PDBC00823",NA,"Absent",NA,NA
+"824","Dequalinium chloride",NA,NA,NA,NA,NA,NA,"dequalinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dequalinium dichloride","DEQUALINIUM CHLORIDE",NA,"Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34","LTNZEXKYNRNOGT-UHFFFAOYSA-N",10649,NA,"PDBC00824","758394","Present",NA,NA
+"825","Desipramine",NA,NA,NA,NA,NA,NA,"desipramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNCCCN1c2ccccc2CCc3ccccc13","HCYAFALTSJYZDH-UHFFFAOYSA-N",2995,TRUE,"PDBC00825",NA,"Absent",NA,NA
+"826","Desoxycortone",NA,NA,NA,NA,NA,NA,"desoxycortone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"desoxycortone","C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1C(=O)CO","ZESRJSPZRDMNHY-YFWFAHHUSA-N",6166,NA,"PDBC00826",NA,"Present",NA,NA
+"827","Dexibuprofen",NA,NA,NA,NA,NA,NA,"dexibuprofen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)Cc1ccc(cc1)[C@H](C)C(=O)O","HEFNNWSXXWATRW-JTQLQIEISA-N",39912,NA,"PDBC00827",NA,"Absent",NA,NA
+"828","Dextromethorphan",NA,NA,NA,NA,NA,NA,"dextromethorphan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2C[C@H]3[C@@H]4CCCC[C@@]4(CCN3C)c2c1","MKXZASYAUGDDCJ-NJAFHUGGSA-N",5360696,TRUE,"PDBC00828",NA,"Absent",NA,NA
+"829","Diazoxide",NA,NA,NA,NA,NA,NA,"diazoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1","GDLBFKVLRPITMI-UHFFFAOYSA-N",3019,TRUE,"PDBC00829",NA,"Absent",NA,NA
+"830","Dibucaine",NA,NA,NA,NA,NA,NA,"cinchocaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1","PUFQVTATUTYEAL-UHFFFAOYSA-N",3025,NA,"PDBC00830",NA,"Absent",NA,NA
+"831","Dichlorphenamide",NA,NA,NA,NA,NA,NA,"diclofenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NS(=O)(=O)c1cc(Cl)c(Cl)c(c1)S(=O)(=O)N","GJQPMPFPNINLKP-UHFFFAOYSA-N",3038,NA,"PDBC00831",NA,"Absent",NA,NA
+"832","Dicloxacillin",NA,NA,NA,NA,NA,NA,"dicloxacillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(Cl)cccc4Cl","YFAGHNZHGGCZAX-JKIFEVAISA-N",18381,TRUE,"PDBC00832",NA,"Absent",NA,NA
+"833","Dicumarol",NA,NA,NA,NA,NA,NA,"dicoumarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicumarol",NA,NA,"Oc1c(Cc2c(O)c3ccccc3oc2=O)c(=O)oc4ccccc14","DOBMPNYZJYQDGZ-UHFFFAOYSA-N",54676038,NA,"PDBC00833",NA,"Absent",NA,NA
+"834","Dicyclomine",NA,NA,NA,NA,NA,NA,"dicycloverine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dicycloverine","CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2","CURUTKGFNZGFSE-UHFFFAOYSA-N",3042,NA,"PDBC00834",NA,"Present",NA,NA
+"835","Dienestrol",NA,NA,NA,NA,NA,NA,"dienestrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dienestrol (usan)",NA,"C/C=C(/C(=C/C)/c1ccc(O)cc1)\c2ccc(O)cc2","NFDFQCUYFHCNBW-SCGPFSFSSA-N",667476,TRUE,"PDBC00835","756734","Present",NA,NA
+"836","Diethylcarbamazine",NA,NA,NA,NA,NA,NA,"diethylcarbamazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)C(=O)N1CCN(C)CC1","RCKMWOKWVGPNJF-UHFFFAOYSA-N",3052,TRUE,"PDBC00836",NA,"Absent",NA,NA
+"837","Diethylstilbestrol",NA,NA,NA,NA,NA,NA,"diethylstilbestrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethylstilbestrol","diethylstilbestrol (usan)",NA,"CC/C(=C(/CC)\c1ccc(O)cc1)/c2ccc(O)cc2","RGLYKWWBQGJZGM-ISLYRVAYSA-N",448537,TRUE,"PDBC00837","756736","Present",NA,NA
+"838","Diflorasone",NA,NA,NA,NA,NA,NA,"diflorasone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)C)C(=O)COC(=O)C","WXURHACBFYSXBI-XHIJKXOTSA-N",71415,TRUE,"PDBC00838",NA,"Absent",NA,NA
+"839","Diflunisal",NA,NA,NA,NA,NA,NA,"diflunisal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)c1cc(ccc1O)c2ccc(F)cc2F","HUPFGZXOMWLGNK-UHFFFAOYSA-N",3059,TRUE,"PDBC00839",NA,"Absent",NA,NA
+"840","Digoxin",NA,NA,NA,NA,NA,NA,"digoxin",NA,NA,NA,NA,NA,NA,"Digoxin",NA,NA,NA,NA,"Digoxin","DIGOXIN///Digoxin","digoxin","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@@H]2[C@@H](C)O[C@H](C[C@@H]2O)O[C@@H]3[C@@H](C)O[C@H](C[C@@H]3O)O[C@H]4CC[C@@]5(C)[C@H](CCC6C5C[C@@H](O)[C@]7(C)[C@H](CC[C@]67O)C8=CC(=O)OC8)C4","LTMHDMANZUZIPE-PUGKRICDSA-N",2724385,TRUE,"PDBC00840","756738///95100","Present",NA,NA
+"841","Dihydroergotamine",NA,NA,NA,NA,NA,NA,"dihydroergotamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C[C@@H](C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34)C(=O)N[C@]5(C)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C5=O","LUZRJRNZXALNLM-JGRZULCMSA-N",10531,TRUE,"PDBC00841",NA,"Absent",NA,NA
+"842","Dihydrostreptomycin",NA,NA,NA,NA,NA,NA,"dihydrostreptomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN[C@H]1C(O)C(O)C(CO)OC1OC2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)CO","ASXBYYWOLISCLQ-HZYVHMACSA-N",439369,NA,"PDBC00842",NA,"Absent",NA,NA
+"843","Dilazep",NA,NA,NA,NA,NA,NA,"dilazep",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc(cc(OC)c1OC)C(=O)OCCCN2CCCN(CCCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2","QVZCXCJXTMIDME-UHFFFAOYSA-N",3074,NA,"PDBC00843",NA,"Absent",NA,NA
+"844","Diloxanide",NA,NA,NA,NA,NA,NA,"diloxanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C(=O)C(Cl)Cl)c1ccc(OC(=O)c2ccco2)cc1","GZZZSOOGQLOEOB-UHFFFAOYSA-N",11367,NA,"PDBC00844",NA,"Absent",NA,NA
+"845","Diltiazem",NA,NA,NA,NA,NA,NA,"diltiazem",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(cc1)[C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C","HSUGRBWQSSZJOP-RTWAWAEBSA-N",39186,TRUE,"PDBC00845",NA,"Absent",NA,NA
+"846","Dimenhydrinate",NA,NA,NA,NA,NA,NA,"dimenhydrinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCOC(c1ccccc1)c2ccccc2.Cn1c(=O)n(C)c2nc(Cl)[nH]c2c1=O","NFLLKCVHYJRNRH-UHFFFAOYSA-N",10660,TRUE,"PDBC00846",NA,"Absent",NA,NA
+"847","Dinoprostone",NA,NA,NA,NA,NA,NA,"dinoprostone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O","XEYBRNLFEZDVAW-ARSRFYASSA-N",5280360,TRUE,"PDBC00847",NA,"Absent",NA,NA
+"848","Diphemanil methylsulfate",NA,NA,NA,NA,NA,NA,"diphemanil metilsulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[N+]1(C)CCC(=C(c2ccccc2)c3ccccc3)CC1","BREMLQBSKCSNNH-UHFFFAOYSA-M",6126,NA,"PDBC00848",NA,"Absent",NA,NA
+"849","Diphenhydramine",NA,NA,NA,NA,NA,NA,"diphenhydramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenylhydramine",NA,"CN(C)CCOC(c1ccccc1)c2ccccc2","ZZVUWRFHKOJYTH-UHFFFAOYSA-N",3100,TRUE,"PDBC00849","665800","Present",NA,NA
+"850","Diphenidol",NA,NA,NA,NA,NA,NA,"difenidol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(CCCN1CCCCC1)(c2ccccc2)c3ccccc3","OGAKLTJNUQRZJU-UHFFFAOYSA-N",3055,NA,"PDBC00850",NA,"Absent",NA,NA
+"851","Diphenylpyraline",NA,NA,NA,NA,NA,NA,"diphenylpyraline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCC(CC1)OC(c2ccccc2)c3ccccc3","OWQUZNMMYNAXSL-UHFFFAOYSA-N",3103,TRUE,"PDBC00851",NA,"Absent",NA,NA
+"852","Dipivefrin",NA,NA,NA,NA,NA,NA,"dipivefrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1","OCUJLLGVOUDECM-UHFFFAOYSA-N",3105,NA,"PDBC00852",NA,"Absent",NA,NA
+"853","Dipyridamole",NA,NA,NA,NA,NA,NA,"dipyridamole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thymidine, 3'-azido-5-bromo-3'-deoxy-5,6-dihydro-6-methoxy-",NA,"OCCN(CCO)c1nc(N2CCCCC2)c3nc(nc(N4CCCCC4)c3n1)N(CCO)CCO","IZEKFCXSFNUWAM-UHFFFAOYSA-N",3108,TRUE,"PDBC00853","619103","Present",NA,NA
+"854","Dirithromycin",NA,NA,NA,NA,NA,NA,"dirithromycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dirithromycin","CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]4N[C@@H](COCCOC)O[C@H]([C@H]4C)[C@]1(C)O","WLOHNSSYAXHWNR-DWIOZXRMSA-N",6473883,TRUE,"PDBC00854",NA,"Present",NA,NA
+"855","Disopyramide",NA,NA,NA,NA,NA,NA,"disopyramide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Disopyramide",NA,NA,"CC(C)N(CCC(C(=O)N)(c1ccccc1)c2ccccn2)C(C)C","UVTNFZQICZKOEM-UHFFFAOYSA-N",3114,TRUE,"PDBC00855",NA,"Absent",NA,NA
+"856","Dobutamine",NA,NA,NA,NA,NA,NA,"dobutamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(CNCCc1ccc(O)c(O)c1)Cc2cccc(O)c2","JRWZLRBJNMZMFE-UHFFFAOYSA-N",36811,TRUE,"PDBC00856",NA,"Absent",NA,NA
+"857","Domperidone",NA,NA,NA,NA,NA,NA,"domperidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Domperidone","domperidone","Clc1ccc2n(C3CCN(CCCn4c(=O)[nH]c5ccccc45)CC3)c(=O)[nH]c2c1","FGXWKSZFVQUSTL-UHFFFAOYSA-N",3151,NA,"PDBC00857","299589","Present",NA,NA
+"858","Dosulepin",NA,NA,NA,NA,NA,NA,"dosulepin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CC/C=C\1/c2ccccc2CSc3ccccc13","PHTUQLWOUWZIMZ-BOPFTXTBSA-N",5282426,NA,"PDBC00858",NA,"Absent",NA,NA
+"859","Doxazosin",NA,NA,NA,NA,NA,NA,"doxazosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[C@@H]4COc5ccccc5O4","RUZYUOTYCVRMRZ-UHFFFAOYSA-N",3157,TRUE,"PDBC00859",NA,"Absent",NA,NA
+"860","Zonalon",NA,NA,NA,NA,NA,NA,"doxepin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CC/C=C\1/c2ccccc2COc3ccccc13","ODQWQRRAPPTVAG-BOPFTXTBSA-N",667468,TRUE,"PDBC00860",NA,"Absent",NA,NA
+"861","Doxycycline",NA,NA,NA,NA,NA,NA,"doxycycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DOXYCYCLINE HYDROCHLORIDE","doxycycline","CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O","SGKRLCUYIXIAHR-AKNGSSGZSA-N",54671203,TRUE,"PDBC00861","756751","Present",NA,NA
+"862","Doxylamine",NA,NA,NA,NA,NA,NA,"doxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCOC(C)(c1ccccc1)c2ccccn2","HCFDWZZGGLSKEP-UHFFFAOYSA-N",3162,TRUE,"PDBC00862",NA,"Absent",NA,NA
+"863","Drofenine",NA,NA,NA,NA,NA,NA,"drofenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCOC(=O)C(C1CCCCC1)c2ccccc2","AGJBLWCLQCKRJP-UHFFFAOYSA-N",3166,NA,"PDBC00863",NA,"Absent",NA,NA
+"864","Droperidol",NA,NA,NA,NA,NA,NA,"droperidol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dhbp",NA,"Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)n3c(=O)[nH]c4ccccc34","RMEDXOLNCUSCGS-UHFFFAOYSA-N",3168,TRUE,"PDBC00864","169874","Present",NA,NA
+"865","Dropropizine",NA,NA,NA,NA,NA,NA,"dropropizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OCC(O)CN1CCN(CC1)c2ccccc2","PTVWPYVOOKLBCG-UHFFFAOYSA-N",3169,NA,"PDBC00865",NA,"Absent",NA,NA
+"866","Dyclonine",NA,NA,NA,NA,NA,NA,"dyclonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCOc1ccc(cc1)C(=O)CCN2CCCCC2","BZEWSEKUUPWQDQ-UHFFFAOYSA-N",3180,TRUE,"PDBC00866",NA,"Absent",NA,NA
+"867","Dydrogesterone",NA,NA,NA,NA,NA,NA,"dydrogesterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C","JGMOKGBVKVMRFX-HQZYFCCVSA-N",9051,TRUE,"PDBC00867",NA,"Absent",NA,NA
+"868","Diprophylline",NA,NA,NA,NA,NA,NA,"diprophylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cn1c(=O)n(C)c2ncn(CC(O)CO)c2c1=O","KSCFJBIXMNOVSH-UHFFFAOYSA-N",3182,NA,"PDBC00868",NA,"Absent",NA,NA
+"869","Econazole",NA,NA,NA,NA,NA,NA,"econazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Econazole","Econazole nitrate///NSC757882///Ecostatin",NA,"C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl","LEZWWPYKPKIXLL-UHFFFAOYSA-N",3198,TRUE,"PDBC00869","243115///757882///187789","Present",NA,NA
+"870","Edrophonium chloride",NA,NA,NA,NA,NA,NA,"edrophonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[N+](C)(C)c1cccc(O)c1","BXKDSDJJOVIHMX-UHFFFAOYSA-N",60204238,TRUE,"PDBC00870",NA,"Absent",NA,NA
+"871","Enalapril",NA,NA,NA,NA,NA,NA,"enalapril",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O","GBXSMTUPTTWBMN-XIRDDKMYSA-N",40466924,TRUE,"PDBC00871",NA,"Absent",NA,NA
+"872","Enoxacin",NA,NA,NA,NA,NA,NA,"enoxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridine-3-carboxylic acid, 6-fluoro-1,4-dihydr...",NA,"CCn1cc(C(=O)O)c(=O)c2cc(F)c(nc12)N3CCNCC3","IDYZIJYBMGIQMJ-UHFFFAOYSA-N",28230148,TRUE,"PDBC00872","629661","Present",NA,NA
+"873","Epirizole",NA,NA,NA,NA,NA,NA,"epirizole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epirizole",NA,NA,"COc1cc(C)nn1c2nc(C)cc(OC)n2","RHAXSHUQNIEUEY-UHFFFAOYSA-N",3242,NA,"PDBC00873",NA,"Absent",NA,NA
+"874","Equilin",NA,NA,NA,NA,NA,NA,"equilin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]2CCC1=O","WKRLQDKEXYKHJB-HFTRVMKXSA-N",223368,NA,"PDBC00874",NA,"Absent",NA,NA
+"875","Erythromycin",NA,NA,NA,NA,NA,NA,"erythromycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O","ULGZDMOVFRHVEP-RWJQBGPGSA-N",12560,TRUE,"PDBC00875",NA,"Absent",NA,NA
+"876","Estrone",NA,NA,NA,NA,NA,NA,"estrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"estrone","CC12CC[C@H]3C(CCc4cc(O)ccc34)[C@@H]2CCC1=O","DNXHEGUUPJUMQT-CBZIJGRNSA-N",5870,TRUE,"PDBC00876",NA,"Present",NA,NA
+"877","Estropipate",NA,NA,NA,NA,NA,NA,"estropipate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12CC[C@H]3[C@@H](CCc4cc(OS(=O)(=O)O)ccc34)[C@@H]2CCC1=O","HZEQBCVBILBTEP-ZFINNJDLSA-N",5284555,TRUE,"PDBC00877",NA,"Absent",NA,NA
+"878","Ethamivan",NA,NA,NA,NA,NA,NA,"etamivan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)C(=O)c1ccc(O)c(OC)c1","BQJODPIMMWWMFC-UHFFFAOYSA-N",9363,NA,"PDBC00878",NA,"Absent",NA,NA
+"879","Ethacrynic acid",NA,NA,NA,NA,NA,NA,"etacrynic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethacrynic Acid",NA,"CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl","AVOLMBLBETYQHX-UHFFFAOYSA-N",3278,NA,"PDBC00879","85791","Present",NA,NA
+"880","Ethambutol",NA,NA,NA,NA,NA,NA,"ethambutol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[C@@H](CO)NCCN[C@@H](CC)CO","AEUTYOVWOVBAKS-UWVGGRQHSA-N",14052,TRUE,"PDBC00880",NA,"Absent",NA,NA
+"881","Ethionamide",NA,NA,NA,NA,NA,NA,"ethionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCc1cc(ccn1)C(=S)N","AEOCXXJPGCBFJA-UHFFFAOYSA-N",2761171,TRUE,"PDBC00881",NA,"Absent",NA,NA
+"882","Profenamine",NA,NA,NA,NA,NA,NA,"profenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)C(C)CN1c2ccccc2Sc3ccccc13","CDOZDBSBBXSXLB-UHFFFAOYSA-N",3290,NA,"PDBC00882",NA,"Absent",NA,NA
+"883","Ethosuximide",NA,NA,NA,NA,NA,NA,"ethosuximide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC1(C)CC(=O)NC1=O","HAPOVYFOVVWLRS-UHFFFAOYSA-N",3291,TRUE,"PDBC00883",NA,"Absent",NA,NA
+"884","Ethotoin",NA,NA,NA,NA,NA,NA,"ethotoin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1C(=O)NC(C1=O)c2ccccc2","SZQIFWWUIBRPBZ-UHFFFAOYSA-N",3292,TRUE,"PDBC00884",NA,"Absent",NA,NA
+"885","Ethynodiol",NA,NA,NA,NA,NA,NA,"etynodiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(OC(=O)C)C#C)[C@@H]3CCC2=C1","JYILPERKVHXLNF-QMNUTNMBSA-N",14687,NA,"PDBC00885",NA,"Absent",NA,NA
+"886","Etidronic acid",NA,NA,NA,NA,NA,NA,"etidronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(O)(P(=O)(O)O)P(=O)(O)O","DBVJJBKOTRCVKF-UHFFFAOYSA-N",3305,NA,"PDBC00886",NA,"Absent",NA,NA
+"887","Etodolac",NA,NA,NA,NA,NA,NA,"etodolac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCc1cccc2c3CCOC(CC)(CC(=O)O)c3[nH]c12","NNYBQONXHNTVIJ-UHFFFAOYSA-N",3308,TRUE,"PDBC00887",NA,"Absent",NA,NA
+"888","Etofylline",NA,NA,NA,NA,NA,NA,"etofylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cn1c(=O)n(C)c2ncn(CCO)c2c1=O","NWPRCRWQMGIBOT-UHFFFAOYSA-N",1892,NA,"PDBC00888",NA,"Absent",NA,NA
+"889","Etomidate",NA,NA,NA,NA,NA,NA,"etomidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)c1cncn1[C@@H](C)c2ccccc2","NPUKDXXFDDZOKR-UHFFFAOYSA-N",36339,TRUE,"PDBC00889",NA,"Absent",NA,NA
+"890","Pepcid",NA,NA,NA,NA,NA,NA,"famotidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=Nc1nc(CSCC/C(=N\S(=O)(=O)N)/N)cs1)N","XUFQPHANEAPEMJ-UHFFFAOYSA-N",3325,TRUE,"PDBC00890",NA,"Absent",NA,NA
+"891","Famprofazone",NA,NA,NA,NA,NA,NA,"famprofazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Famprofazone",NA,NA,"CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(c3ccccc3)c1=O",NA,3326,NA,"PDBC00891",NA,"Absent",NA,NA
+"892","Felbinac",NA,NA,NA,NA,NA,NA,"felbinac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)Cc1ccc(cc1)c2ccccc2","QRZAKQDHEVVFRX-UHFFFAOYSA-N",3332,NA,"PDBC00892",NA,"Absent",NA,NA
+"893","Fenbendazole",NA,NA,NA,NA,NA,NA,"fenbendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fenbendazole","fenbendazole (usan)","fenbendazole","COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1","HDDSHPAODJUKPD-UHFFFAOYSA-N",3334,NA,"PDBC00893","757824","Present",NA,NA
+"894","Fenbufen",NA,NA,NA,NA,NA,NA,"fenbufen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)CCC(=O)c1ccc(cc1)c2ccccc2","ZPAKPRAICRBAOD-UHFFFAOYSA-N",3335,NA,"PDBC00894",NA,"Absent",NA,NA
+"895","Fendiline",NA,NA,NA,NA,NA,NA,"fendiline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fendiline hydrochloride","FENDILINE HYDROCHLORIDE","fendiline","CC(C1=CC=CC=C1)NCCC(C2=CC=CC=C2)C3=CC=CC=C3","NMKSAYKQLCHXDK-UHFFFAOYSA-N",3336,NA,"PDBC00895","757826","Present",NA,NA
+"896","Fenofibrate",NA,NA,NA,NA,NA,NA,"fenofibrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fenofibrate","CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2","YMTINGFKWWXKFG-UHFFFAOYSA-N",3339,TRUE,"PDBC00896",NA,"Present",NA,NA
+"897","Fenoprofen",NA,NA,NA,NA,NA,NA,"fenoprofen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fenoprofen","fenoprofen","CC(C(=O)O)c1cccc(Oc2ccccc2)c1","RDJGLLICXDHJDY-UHFFFAOYSA-N",3342,TRUE,"PDBC00897","755388","Present",NA,NA
+"898","Finasteride",NA,NA,NA,NA,NA,NA,"finasteride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Finasteride",NA,"CC(C)(C)NC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C","DBEPLOCGEIEOCV-WSBQPABSSA-N",57363,TRUE,"PDBC00898","741485///757443","Present",NA,NA
+"899","Flavoxate",NA,NA,NA,NA,NA,NA,"flavoxate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1c(oc2c(cccc2c1=O)C(=O)OCCN3CCCCC3)c4ccccc4","SPIUTQOUKAMGCX-UHFFFAOYSA-N",3354,TRUE,"PDBC00899",NA,"Absent",NA,NA
+"900","Flecainide",NA,NA,NA,NA,NA,NA,"flecainide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FC(F)(F)COc1ccc(OCC(F)(F)F)c(c1)C(=O)NCC2CCCCN2","DJBNUMBKLMJRSA-UHFFFAOYSA-N",3356,TRUE,"PDBC00900",NA,"Absent",NA,NA
+"901","Flucytosine",NA,NA,NA,NA,NA,NA,"flucytosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ancotil",NA,"Nc1nc(=O)[nH]cc1F","XRECTZIEBJDKEO-UHFFFAOYSA-N",3366,TRUE,"PDBC00901","103805","Present",NA,NA
+"902","Flumequine",NA,NA,NA,NA,NA,NA,"flumequine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1CCc2cc(F)cc3c(=O)c(cn1c23)C(=O)O","DPSPPJIUMHPXMA-UHFFFAOYSA-N",3374,NA,"PDBC00902",NA,"Absent",NA,NA
+"903","Flumethasone",NA,NA,NA,NA,NA,NA,"flumetasone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flumethasone","flumethasone","C[C@@H]1CC2C3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO","WXURHACBFYSXBI-GQKYHHCASA-N",16490,NA,"PDBC00903","54702","Present",NA,NA
+"904","Flunarizine",NA,NA,NA,NA,NA,NA,"flunarizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flunarizine dihydrochloride",NA,NA,"Fc1ccc(cc1)C(N2CCN(C/C=C/c3ccccc3)CC2)c4ccc(F)cc4","SMANXXCATUTDDT-QPJJXVBHSA-N",941361,NA,"PDBC00904",NA,"Absent",NA,NA
+"905","Flunisolide",NA,NA,NA,NA,NA,NA,"flunisolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)C=CC5(C)C4C(O)CC3(C)[C@@]2(O1)C(=O)CO","XSFJVAJPIHIPKU-XWCQMRHXSA-N",82153,TRUE,"PDBC00905",NA,"Absent",NA,NA
+"906","Flunixin",NA,NA,NA,NA,NA,NA,"flunixin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNCC(O)C(O)C(O)C(O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F","NOOCSNJCXJYGPE-UHFFFAOYSA-N",38081,NA,"PDBC00906",NA,"Absent",NA,NA
+"907","Fluocinonide",NA,NA,NA,NA,NA,NA,"fluocinonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)OCC(=O)[C@]12OC(C)(C)O[C@@H]2C[C@H]3C4C[C@H](F)C5=CC(=O)C=CC5(C)[C@@]4(F)[C@@H](O)C[C@@]31C","WJOHZNCJWYWUJD-IUGZLZTKSA-N",9642,TRUE,"PDBC00907",NA,"Absent",NA,NA
+"908","Fluorometholone",NA,NA,NA,NA,NA,NA,"fluorometholone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluorometholone acetate///Fluorometholone","fluorometholone","CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)C)O","FAOZLTXFLGPHNG-KNAQIMQKSA-N",9878,TRUE,"PDBC00908","47438///33001","Present",NA,NA
+"909","Flupentixol",NA,NA,NA,NA,NA,NA,"flupentixol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OCCN1CCN(CC/C=C\2/c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1","NJMYODHXAKYRHW-DVZOWYKESA-N",5281881,NA,"PDBC00909",NA,"Absent",NA,NA
+"910","Flurandrenolide",NA,NA,NA,NA,NA,NA,"fludroxycortide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fludroxycortide","CC1(C)O[C@@H]2CC3C4C[C@H](F)C5=CC(=O)CC[C@]5(C)C4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO","POPFMWWJOGLOIF-XWCQMRHXSA-N",15209,NA,"PDBC00910",NA,"Present",NA,NA
+"911","Flurbiprofen",NA,NA,NA,NA,NA,NA,"flurbiprofen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flurbiprofen",NA,"C[C@H](C(=O)O)c1ccc(c(F)c1)c2ccccc2","SYTBZMRGLBWNTM-UHFFFAOYSA-N",3394,TRUE,"PDBC00911","755404///685701","Present",NA,NA
+"912","Fluspirilene",NA,NA,NA,NA,NA,NA,"fluspirilene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"imap",NA,"Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5","QOYHHIBFXOOADH-UHFFFAOYSA-N",3396,NA,"PDBC00912","772296","Present",NA,NA
+"913","Fluticasone",NA,NA,NA,NA,NA,NA,"fluticasone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(=O)O[C@]1([C@H](C)C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C)C(=O)SCF","MGNNYOODZCAHBA-GQKYHHCASA-N",5311101,TRUE,"PDBC00913",NA,"Absent",NA,NA
+"914","Fluvastatin",NA,NA,NA,NA,NA,NA,"fluvastatin","fluvastatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluvastatin","fluvastatin","CC(C)n1c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)O)c(c2ccc(F)cc2)c3ccccc13","FJLGEFLZQAZZCD-MCBHFWOFSA-N",446155,TRUE,"PDBC00914","758896","Present",NA,NA
+"915","Fluvoxamine",NA,NA,NA,NA,NA,NA,"fluvoxamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COCCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F","CJOFXWAVKWHTFT-XSFVSMFZSA-N",5324346,TRUE,"PDBC00915",NA,"Absent",NA,NA
+"916","Folic acid",NA,NA,NA,NA,NA,NA,"folic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)cnc2[nH]1","OVBPIULPVIDEAO-LBPRGKRZSA-N",6037,TRUE,"PDBC00916",NA,"Absent",NA,NA
+"917","Forskolin",NA,NA,NA,NA,NA,NA,"colforsin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"forskolin","forskolin","CC(=O)O[C@H]1[C@@H](O)[C@H]2C(C)(C)CC[C@H](O)[C@]2(C)[C@@]3(O)C(=O)C[C@@](C)(O[C@]13C)C=C","OHCQJHSOBUTRHG-KGGHGJDLSA-N",47936,NA,"PDBC00917","375489","Present",NA,NA
+"918","Fosfosal",NA,NA,NA,NA,NA,NA,"fosfosal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)c1ccccc1OP(=O)(O)O","FFKUDWZICMJVPA-UHFFFAOYSA-N",3418,NA,"PDBC00918",NA,"Absent",NA,NA
+"919","Furaltadone",NA,NA,NA,NA,NA,NA,"furaltadone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"levofuraltadone (usan)",NA,"[O-][N+](=O)c1ccc(C=NN2CC(CN3CCOCC3)OC2=O)o1","YVQVOQKFMFRVGR-VGOFMYFVSA-N",9553856,NA,"PDBC00919","527986","Present",NA,NA
+"920","Furazolidone",NA,NA,NA,NA,NA,NA,"furazolidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PLHJDBGFXBMTGZ-WEVVVXLNSA-N",5323714,TRUE,"PDBC00920",NA,"Absent",NA,NA
+"921","Furosemide",NA,NA,NA,NA,NA,NA,"furosemide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furosemide",NA,NA,"NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl","ZZUFCTLCJUWOSV-UHFFFAOYSA-N",3440,TRUE,"PDBC00921",NA,"Absent",NA,NA
+"922","Gabapentin",NA,NA,NA,NA,NA,NA,"gabapentin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gabapentin",NA,NA,"NCC1(CC(=O)O)CCCCC1","UGJMXCAKCUNAIE-UHFFFAOYSA-N",3446,TRUE,"PDBC00922",NA,"Absent",NA,NA
+"923","Gabexate",NA,NA,NA,NA,NA,NA,"gabexate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)c1ccc(OC(=O)CCCCCNC(=N)N)cc1","YKGYIDJEEQRWQH-UHFFFAOYSA-N",3447,NA,"PDBC00923",NA,"Absent",NA,NA
+"924","Gallamine triethiodide",NA,NA,NA,NA,NA,NA,"gallamine triethiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[N+](CC)(CC)CCOc1cccc(OCC[N+](CC)(CC)CC)c1OCC[N+](CC)(CC)CC","REEUVFCVXKWOFE-UHFFFAOYSA-K",6172,TRUE,"PDBC00924",NA,"Absent",NA,NA
+"925","Ganciclovir",NA,NA,NA,NA,NA,NA,"ganciclovir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1nc2n(COC(CO)CO)cnc2c(=O)[nH]1","IRSCQMHQWWYFCW-UHFFFAOYSA-N",3454,TRUE,"PDBC00925",NA,"Absent",NA,NA
+"926","Gemfibrozil",NA,NA,NA,NA,NA,NA,"gemfibrozil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1","HEMJJKBWTPKOJG-UHFFFAOYSA-N",3463,TRUE,"PDBC00926",NA,"Absent",NA,NA
+"927","Gentamicin",NA,NA,NA,NA,NA,NA,"gentamicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNC(C)[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@H]3OC[C@](C)(O)[C@H](NC)[C@H]3O)[C@H]2O)O1","CEAZRRDELHUEMR-UHFFFAOYSA-N",3467,TRUE,"PDBC00927",NA,"Absent",NA,NA
+"928","Gliclazide",NA,NA,NA,NA,NA,NA,"gliclazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2","BOVGTQGAOIONJV-UHFFFAOYSA-N",3475,NA,"PDBC00928",NA,"Absent",NA,NA
+"929","Glimepiride",NA,NA,NA,NA,NA,NA,"glimepiride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]3CC[C@H](C)CC3)C1=O","WIGIZIANZCJQQY-UHFFFAOYSA-N",3476,TRUE,"PDBC00929",NA,"Absent",NA,NA
+"930","Glipizide",NA,NA,NA,NA,NA,NA,"glipizide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cnc(cn1)C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3","ZJJXGWJIGJFDTL-UHFFFAOYSA-N",3478,TRUE,"PDBC00930",NA,"Absent",NA,NA
+"931","Glycopyrrolate",NA,NA,NA,NA,NA,NA,"glycopyrronium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glycopyrrolate",NA,NA,"C[N+]1(C)CCC(C1)OC(=O)C(O)(C2CCCC2)c3ccccc3","VPNYRYCIDCJBOM-UHFFFAOYSA-M",11693,NA,"PDBC00931",NA,"Absent",NA,NA
+"932","Griseofulvin",NA,NA,NA,NA,NA,NA,"griseofulvin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC1=CC(=O)C[C@@H](C)[C@@]21Oc3c(C2=O)c(OC)cc(OC)c3Cl","DDUHZTYCFQRHIY-RBHXEPJQSA-N",441140,TRUE,"PDBC00932",NA,"Absent",NA,NA
+"933","Guaifenesin",NA,NA,NA,NA,NA,NA,"guaifenesin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guaifenesin",NA,"COc1ccccc1OCC(O)CO","HSRJKNPTNIJEKV-UHFFFAOYSA-N",3516,TRUE,"PDBC00933","62112","Present",NA,NA
+"934","Guanabenz",NA,NA,NA,NA,NA,NA,"guanabenz",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanabenz",NA,"NC(=N)N/N=C/c1c(Cl)cccc1Cl","WDZVGELJXXEGPV-YIXHJXPBSA-N",5702063,TRUE,"PDBC00934","68982","Present",NA,NA
+"935","Guanethidine",NA,NA,NA,NA,NA,NA,"guanethidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=N)NCCN1CCCCCCC1","ACGDKVXYNVEAGU-UHFFFAOYSA-N",3518,TRUE,"PDBC00935",NA,"Absent",NA,NA
+"936","Guanfacine",NA,NA,NA,NA,NA,NA,"guanfacine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=N)NC(=O)Cc1c(Cl)cccc1Cl","INJOMKTZOLKMBF-UHFFFAOYSA-N",3519,TRUE,"PDBC00936",NA,"Absent",NA,NA
+"937","Halcinonide",NA,NA,NA,NA,NA,NA,"halcinonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"halcinonide","CC1(C)O[C@@H]2CC3C4CCC5=CC(=O)CCC5(C)[C@@]4(F)C(O)CC3(C)[C@@]2(O1)C(=O)CCl","MUQNGPZZQDCDFT-JNQJZLCISA-N",443943,TRUE,"PDBC00937",NA,"Present",NA,NA
+"938","Hesperidin",NA,NA,NA,NA,NA,NA,"hesperidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O[C@@H]4O[C@H](CO[C@H]5O[C@@H](C)[C@H](O)[C@@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)cc3O2","QUQPHWDTPGMPEX-QJBIFVCTSA-N",10621,NA,"PDBC00938",NA,"Absent",NA,NA
+"939","Hexetidine",NA,NA,NA,NA,NA,NA,"hexetidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexetidine",NA,NA,"CCCCC(CC)CN1CN(CC(CC)CCCC)CC(C)(N)C1","ZSHBZCXOMHHPCE-UHFFFAOYSA-N",58592337,NA,"PDBC00939",NA,"Absent",NA,NA
+"940","Hexylcaine",NA,NA,NA,NA,NA,NA,"hexylcaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexylcaine hydrochloride",NA,NA,"CC(CNC1CCCCC1)OC(=O)c2ccccc2","DKLKMKYDWHYZTD-UHFFFAOYSA-N",10770,TRUE,"PDBC00940",NA,"Absent",NA,NA
+"941","Homochlorcyclizine",NA,NA,NA,NA,NA,NA,"homochlorcyclizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homochlorcyclizine dihydrochloride",NA,NA,"CN1CCCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3","WEUCDJCFJHYFRL-UHFFFAOYSA-N",3627,NA,"PDBC00941",NA,"Absent",NA,NA
+"942","Hydralazine",NA,NA,NA,NA,NA,NA,"hydralazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NNc1nncc2ccccc12","RPTUSVTUFVMDQK-UHFFFAOYSA-N",3637,TRUE,"PDBC00942",NA,"Absent",NA,NA
+"943","Hydrochlorothiazide",NA,NA,NA,NA,NA,NA,"hydrochlorothiazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hctz",NA,"NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl","JZUFKLXOESDKRF-UHFFFAOYSA-N",3639,TRUE,"PDBC00943","53477","Present",NA,NA
+"944","Hydrocortisone",NA,NA,NA,NA,NA,NA,"hydrocortisone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cortisol acetate","Desoximetasone","hydrocortisone","C[C@@]12C[C@H](O)C3C(CCC4=CC(=O)CC[C@]34C)C2CC[C@]1(O)C(=O)CO","JYGXADMDTFJGBT-VWUMJDOOSA-N",5754,TRUE,"PDBC00944","10482///10483","Present",NA,NA
+"945","Hydroxyzine",NA,NA,NA,NA,NA,NA,"hydroxyzine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OCCOCCN1CCN(CC1)[C@H](c2ccccc2)c3ccc(Cl)cc3","ZQDWXGKKHFNSQK-UHFFFAOYSA-N",3658,TRUE,"PDBC00945",NA,"Absent",NA,NA
+"946","Hymecromone",NA,NA,NA,NA,NA,NA,"hymecromone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"medilla",NA,"Cc1cc(=O)oc2cc(O)ccc12","HSHNITRMYYLLCV-UHFFFAOYSA-N",5280567,NA,"PDBC00946","9408","Present",NA,NA
+"947","Idoxuridine",NA,NA,NA,NA,NA,NA,"idoxuridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDOXURIDINE","idoxuridine","OC[C@H]1O[C@H](C[C@@H]1O)n2cc(I)c(=O)[nH]c2=O","XQFRJNBWHJMXHO-RRKCRQDMSA-N",5905,TRUE,"PDBC00947","39661","Present",NA,NA
+"948","Ifenprodil",NA,NA,NA,NA,NA,NA,"ifenprodil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C(O)c1ccc(O)cc1)N2CCC(Cc3ccccc3)CC2","UYNVMODNBIQBMV-UHFFFAOYSA-N",3689,NA,"PDBC00948",NA,"Absent",NA,NA
+"949","Ifosfamide",NA,NA,NA,NA,NA,NA,"ifosfamide","ifosfamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ifosfamide","ifosfamide","ClCCN[P@]1(=O)OCCCN1CCCl","HOMGKSMUEGBAAB-UHFFFAOYSA-N",3690,TRUE,"PDBC00949","109724","Present",NA,NA
+"950","Imipramine",NA,NA,NA,NA,NA,NA,"imipramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCCN1c2ccccc2CCc3ccccc13","BCGWQEUPMDMJNV-UHFFFAOYSA-N",3696,TRUE,"PDBC00950",NA,"Absent",NA,NA
+"951","Indapamide",NA,NA,NA,NA,NA,NA,"indapamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)S(=O)(=O)N","NDDAHWYSQHTHNT-UHFFFAOYSA-N",3702,TRUE,"PDBC00951",NA,"Absent",NA,NA
+"952","Indoprofen",NA,NA,NA,NA,NA,NA,"indoprofen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indoprofen","CC(C(=O)O)c1ccc(cc1)N2Cc3ccccc3C2=O","RJMIEHBSYVWVIN-UHFFFAOYSA-N",3718,NA,"PDBC00952",NA,"Present",NA,NA
+"953","Iocetamic acid",NA,NA,NA,NA,NA,NA,"iocetamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(CN(C(=O)C)c1c(I)cc(I)c(N)c1I)C(=O)O","GSVQIUGOUKJHRC-UHFFFAOYSA-N",27648,TRUE,"PDBC00953",NA,"Absent",NA,NA
+"954","Iodipamide",NA,NA,NA,NA,NA,NA,"adipiodone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iodipamide",NA,"iodipamide","OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(=O)O)c2I)c1I","FFINMCNLQNTKLU-UHFFFAOYSA-N",3739,NA,"PDBC00954",NA,"Present",NA,NA
+"955","Iohexol",NA,NA,NA,NA,NA,NA,"iohexol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)N(C[C@@H](O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I","NTHXOOBQLCIOLC-UHFFFAOYSA-N",3730,TRUE,"PDBC00955",NA,"Absent",NA,NA
+"956","Iopamidol",NA,NA,NA,NA,NA,NA,"iopamidol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H](O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I","XQZXYNRDCRIARQ-UHFFFAOYSA-N",3734,TRUE,"PDBC00956",NA,"Absent",NA,NA
+"957","Iopanoic acid",NA,NA,NA,NA,NA,NA,"iopanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)O","OIRFJRBSRORBCM-UHFFFAOYSA-N",3735,TRUE,"PDBC00957",NA,"Absent",NA,NA
+"958","Iopromide",NA,NA,NA,NA,NA,NA,"iopromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COCC(=O)Nc1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)N(C)C[C@@H](O)CO)c1I","DGAIEPBNLOQYER-UHFFFAOYSA-N",3736,TRUE,"PDBC00958",NA,"Absent",NA,NA
+"959","Ioversol",NA,NA,NA,NA,NA,NA,"ioversol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OCCN(C(=O)CO)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I","AMDBBAQNWSUWGN-UHFFFAOYSA-N",3741,TRUE,"PDBC00959",NA,"Absent",NA,NA
+"960","Ipratropium bromide",NA,NA,NA,NA,NA,NA,"ipratropium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)[N+]1(C)C2CC[C@@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3","LHLMOSXCXGLMMN-WDTICOSOSA-M",31098,TRUE,"PDBC00960",NA,"Absent",NA,NA
+"961","Isocarboxazid",NA,NA,NA,NA,NA,NA,"isocarboxazid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(no1)C(=O)NNCc2ccccc2","XKFPYPQQHFEXRZ-UHFFFAOYSA-N",3759,TRUE,"PDBC00961",NA,"Absent",NA,NA
+"962","Isoetharine",NA,NA,NA,NA,NA,NA,"isoetarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isoetharine","CCC(NC(C)C)C(O)c1ccc(O)c(O)c1","HUYWAWARQUIQLE-UHFFFAOYSA-N",3762,NA,"PDBC00962",NA,"Present",NA,NA
+"963","Isoniazid",NA,NA,NA,NA,NA,NA,"isoniazid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NNC(=O)c1ccncc1","QRXWMOHMRWLFEY-UHFFFAOYSA-N",3767,TRUE,"PDBC00963",NA,"Absent",NA,NA
+"964","Isopropamide Iodide",NA,NA,NA,NA,NA,NA,"isopropamide iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)[N+](C)(CCC(C(=O)N)(c1ccccc1)c2ccccc2)C(C)C","BFSMWENDZZIWPW-UHFFFAOYSA-N",6284,TRUE,"PDBC00964",NA,"Absent",NA,NA
+"965","Isosorbide",NA,NA,NA,NA,NA,NA,"isosorbide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+](=O)[O-]","KLDXJTOLSGUMSJ-JGWLITMVSA-N",12597,TRUE,"PDBC00965",NA,"Absent",NA,NA
+"966","Isradipine",NA,NA,NA,NA,NA,NA,"isradipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isradipine",NA,NA,"COC(=O)C1=C(C)NC(=C([C@@H]1c2cccc3nonc23)C(=O)OC(C)C)C","HMJIYCCIJYRONP-UHFFFAOYSA-N",3784,TRUE,"PDBC00966",NA,"Absent",NA,NA
+"967","Ivermectin",NA,NA,NA,NA,NA,NA,"ivermectin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ivermectin",NA,"ivermectin","CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C/C=C(\C)/[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)/C=C/C=C/6\CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@@]76O)C)O2","AZSNMRSAGSSBNP-NDJJZKGWSA-N",71749648,TRUE,"PDBC00967",NA,"Present",NA,NA
+"968","Josamycin",NA,NA,NA,NA,NA,NA,"josamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"josamycin","CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O","XJSFLOJWULLJQS-NGVXBBESSA-N",5282165,NA,"PDBC00968",NA,"Present",NA,NA
+"969","Ketanserin",NA,NA,NA,NA,NA,NA,"ketanserin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fc1ccc(cc1)C(=O)C2CCN(CCn3c(=O)[nH]c4ccccc4c3=O)CC2","FPCCSQOGAWCVBH-UHFFFAOYSA-N",3822,NA,"PDBC00969",NA,"Absent",NA,NA
+"970","Xolegel",NA,NA,NA,NA,NA,NA,"ketoconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ketoconazole","ketoconazole","CC(=O)N1CCN(CC1)c2ccc(OCC3CO[C@@](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2","XMAYWYJOQHXEEK-OZXSUGGESA-N",47576,TRUE,"PDBC00970","317629","Present",NA,NA
+"971","Ketoprofen",NA,NA,NA,NA,NA,NA,"ketoprofen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ketoprofen","CC(C(=O)O)c1cccc(c1)C(=O)c2ccccc2","DKYWVDODHFEZIM-UHFFFAOYSA-N",3825,TRUE,"PDBC00971",NA,"Present",NA,NA
+"972","Ketorolac",NA,NA,NA,NA,NA,NA,"ketorolac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)C1CCn2c(ccc12)C(=O)c3ccccc3","OZWKMVRBQXNZKK-UHFFFAOYSA-N",3826,TRUE,"PDBC00972",NA,"Absent",NA,NA
+"973","Ketotifen",NA,NA,NA,NA,NA,NA,"ketotifen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCC(=C2c3ccsc3C(=O)Cc4ccccc24)CC1","ZCVMWBYGMWKGHF-UHFFFAOYSA-N",3827,TRUE,"PDBC00973",NA,"Absent",NA,NA
+"974","Khellin",NA,NA,NA,NA,NA,NA,"khellin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1c2ccoc2c(OC)c3oc(C)cc(=O)c13","HSMPDPBYAYSOBC-UHFFFAOYSA-N",3828,NA,"PDBC00974",NA,"Absent",NA,NA
+"975","Levodopa",NA,NA,NA,NA,NA,NA,"levodopa",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N[C@@H](Cc1ccc(O)c(O)c1)C(=O)O","WTDRDQBEARUVNC-LURJTMIESA-N",6047,TRUE,"PDBC00975",NA,"Absent",NA,NA
+"976","Labetalol",NA,NA,NA,NA,NA,NA,"labetalol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(CCc1ccccc1)NCC(O)c2ccc(O)c(c2)C(=O)N","SGUAFYQXFOLMHL-UHFFFAOYSA-N",3869,TRUE,"PDBC00976",NA,"Absent",NA,NA
+"977","Lansoprazole",NA,NA,NA,NA,NA,NA,"lansoprazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1c(CS(=O)c2nc3ccccc3[nH]2)nccc1OCC(F)(F)F","MJIHNNLFOKEZEW-UHFFFAOYSA-N",3883,TRUE,"PDBC00977",NA,"Absent",NA,NA
+"978","Letrozole",NA,NA,NA,NA,NA,NA,"letrozole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Letrozole","letrozole","N#Cc1ccc(cc1)C(c2ccc(C#N)cc2)n3cncn3","HPJKCIUCZWXJDR-UHFFFAOYSA-N",3902,TRUE,"PDBC00978","719345","Present",NA,NA
+"979","Leucovorin calcium",NA,NA,NA,NA,NA,NA,"calcium folinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CALCIUM LEUCOVORIN",NA,"C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.[Ca+2]","KVUAALJSMIVURS-ZEDZUCNESA-N",135436482,NA,"PDBC00979","3590","Present",NA,NA
+"980","Guanadrel",NA,NA,NA,NA,NA,NA,"guanadrel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=N)NCC1COC2(CCCCC2)O1","HPBNRIOWIXYZFK-UHFFFAOYSA-N",38521,TRUE,"PDBC00980",NA,"Absent",NA,NA
+"981","Tetramisole",NA,NA,NA,NA,NA,NA,"tetramisole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CN2CC(N=C2S1)c3ccccc3","HLFSDGLLUJUHTE-UHFFFAOYSA-N",3913,NA,"PDBC00981",NA,"Absent",NA,NA
+"982","Levobunolol",NA,NA,NA,NA,NA,NA,"levobunolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"levobunolol","CC(C)(C)NC[C@H](O)COc1cccc2C(=O)CCCc12","IXHBTMCLRNMKHZ-LBPRGKRZSA-N",39468,TRUE,"PDBC00982",NA,"Present",NA,NA
+"983","Levocabastine",NA,NA,NA,NA,NA,NA,"levocabastine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H]1CN(CC[C@]1(C(=O)O)c2ccccc2)[C@H]3CC[C@](CC3)(C#N)c4ccc(F)cc4","ZCGOMHNNNFPNMX-YHYDXASRSA-N",54385,TRUE,"PDBC00983",NA,"Absent",NA,NA
+"984","Levonordefrin",NA,NA,NA,NA,NA,NA,"corbadrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H](N)[C@H](O)c1ccc(O)c(O)c1","GEFQWZLICWMTKF-CDUCUWFYSA-N",164739,NA,"PDBC00984",NA,"Absent",NA,NA
+"985","Levopropoxyphene",NA,NA,NA,NA,NA,NA,"levopropoxyphene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(=O)OC(Cc1ccccc1)(C(C)CN(C)C)c2ccccc2.OS(=O)(=O)c1ccc2ccccc2c1","XLMALTXPSGQGBX-GCJKJVERSA-N",10100,TRUE,"PDBC00985",NA,"Absent",NA,NA
+"986","Levothyroxine sodium",NA,NA,NA,NA,NA,NA,"levothyroxine sodium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O","XUIIKFGFIJCVMT-LBPRGKRZSA-N",25201348,TRUE,"PDBC00986",NA,"Absent",NA,NA
+"987","Lidocaine",NA,NA,NA,NA,NA,NA,"lidocaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lidocaine","CCN(CC)CC(=O)Nc1c(C)cccc1C","NNJVILVZKWQKPM-UHFFFAOYSA-N",3676,TRUE,"PDBC00987",NA,"Present",NA,NA
+"988","Lincomycin",NA,NA,NA,NA,NA,NA,"lincomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@@H]([C@H](C)O)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O","OJMMVQQUTAEWLP-KIDUDLJLSA-N",3000540,TRUE,"PDBC00988",NA,"Absent",NA,NA
+"989","Liothyronine",NA,NA,NA,NA,NA,NA,"liothyronine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O","AUYYCJSJGJYCDS-LBPRGKRZSA-N",5920,TRUE,"PDBC00989",NA,"Absent",NA,NA
+"990","Lisinopril",NA,NA,NA,NA,NA,NA,"lisinopril",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCCC[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N2CCC[C@H]2C(=O)O","RLAWWYSOJDYHDC-BZSNNMDCSA-N",11865407,TRUE,"PDBC00990",NA,"Absent",NA,NA
+"991","Lisuride",NA,NA,NA,NA,NA,NA,"lisuride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34","BKRGVLQUQGGVSM-KBXCAEBGSA-N",28864,NA,"PDBC00991",NA,"Absent",NA,NA
+"992","Lobeline",NA,NA,NA,NA,NA,NA,"lobeline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C(CC(O)c2ccccc2)CCCC1CC(=O)c3ccccc3","MXYUKLILVYORSK-HBMCJLEFSA-N",101616,NA,"PDBC00992",NA,"Absent",NA,NA
+"993","Lomefloxacin",NA,NA,NA,NA,NA,NA,"lomefloxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lomefloxacin","CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12","ZEKZLJVOYLTDKK-UHFFFAOYSA-N",3948,TRUE,"PDBC00993",NA,"Present",NA,NA
+"994","Lomustine",NA,NA,NA,NA,NA,NA,"lomustine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lomustine",NA,"ClCCN(N=O)C(=O)NC1CCCCC1","GQYIWUVLTXOXAJ-UHFFFAOYSA-N",3950,TRUE,"PDBC00994","79037","Present",NA,NA
+"995","Loperamide",NA,NA,NA,NA,NA,NA,"loperamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Loperamide hydrochloride",NA,NA,"CN(C)C(=O)C(CCN1CCC(O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4","RDOIQAHITMMDAJ-UHFFFAOYSA-N",3955,TRUE,"PDBC00995",NA,"Absent",NA,NA
+"996","Loracarbef",NA,NA,NA,NA,NA,NA,"loracarbef",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N[C@@H](C(=O)N[C@H]1[C@H]2CCC(=C(N2C1=O)C(=O)O)Cl)c3ccccc3","JAPHQRWPEGVNBT-UTUOFQBUSA-M",45266920,TRUE,"PDBC00996",NA,"Absent",NA,NA
+"997","Lovastatin",NA,NA,NA,NA,NA,NA,"lovastatin","lovastatin",NA,NA,NA,NA,NA,NA,NA,NA,"Lovastatin",NA,"Lovastatin","K287///Lovastatin","lovastatin","CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12","PCZOHLXUXFIOCF-BXMDZJJMSA-N",53232,TRUE,"PDBC00997","779704///758662///633781","Present",NA,NA
+"998","Loxapine",NA,NA,NA,NA,NA,NA,"loxapine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCN(CC1)C2=Nc3ccccc3Oc4ccc(Cl)cc24","XJGVXQDUIWGIRW-UHFFFAOYSA-N",3964,TRUE,"PDBC00998",NA,"Absent",NA,NA
+"999","Maprotiline",NA,NA,NA,NA,NA,NA,"maprotiline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maprotiline hydrochloride",NA,"maprotiline","CNCCCC1(CCC2c3ccccc31)c4ccccc24","QSLMDECMDJKHMQ-UHFFFAOYSA-N",4011,TRUE,"PDBC00999",NA,"Present",NA,NA
+"1000","Mebeverine",NA,NA,NA,NA,NA,NA,"mebeverine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc2ccc(OC)cc2","VYVKHNNGDFVQGA-UHFFFAOYSA-N",4031,NA,"PDBC01000",NA,"Absent",NA,NA
+"1001","Mebhydrolin",NA,NA,NA,NA,NA,NA,"mebhydrolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCc2c(C1)c3ccccc3n2Cc4ccccc4","FQQIIPAOSKSOJM-UHFFFAOYSA-N",22530,NA,"PDBC01001",NA,"Absent",NA,NA
+"1002","Mecamylamine",NA,NA,NA,NA,NA,NA,"mecamylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNC1(C)C2CCC(C2)C1(C)C","IMYZQPCYWPFTAG-UHFFFAOYSA-N",4032,TRUE,"PDBC01002",NA,"Absent",NA,NA
+"1003","Meclizine",NA,NA,NA,NA,NA,NA,"meclozine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Meclozine dihydrochloride",NA,"meclizine","Cc1cccc(CN2CCN(CC2)C(c3ccccc3)c4ccc(Cl)cc4)c1","OCJYIGYOJCODJL-UHFFFAOYSA-N",4034,NA,"PDBC01003",NA,"Present",NA,NA
+"1004","Meclocycline",NA,NA,NA,NA,NA,NA,"meclocycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N","RNIADBXQDMCFEN-IWVLMIASSA-N",54676539,TRUE,"PDBC01004",NA,"Absent",NA,NA
+"1005","Meclofenamic acid",NA,NA,NA,NA,NA,NA,"meclofenamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc(Cl)c(Nc2ccccc2C(=O)O)c1Cl","SBDNJUWAMKYJOX-UHFFFAOYSA-N",4037,NA,"PDBC01005",NA,"Absent",NA,NA
+"1006","Meclofenoxate",NA,NA,NA,NA,NA,NA,"meclofenoxate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCOC(=O)COc1ccc(Cl)cc1","XZTYGFHCIAKPGJ-UHFFFAOYSA-N",4039,NA,"PDBC01006",NA,"Absent",NA,NA
+"1007","Medrysone",NA,NA,NA,NA,NA,NA,"medrysone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1CC2C3CC[C@H](C(=O)C)[C@@]3(C)C[C@H](O)C2[C@@]4(C)CCC(=O)C=C14","GZENKSODFLBBHQ-ILSZZQPISA-N",247839,TRUE,"PDBC01007",NA,"Absent",NA,NA
+"1008","Mefenamic acid",NA,NA,NA,NA,NA,NA,"mefenamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cccc(Nc2ccccc2C(=O)O)c1C","HYYBABOKPJLUIN-UHFFFAOYSA-N",4044,TRUE,"PDBC01008",NA,"Absent",NA,NA
+"1009","Megestrol",NA,NA,NA,NA,NA,NA,"megestrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=C(N2[C@H](SC1)[C@@H](NC(=O)[C@@H](N)C3=CCC=CC3)C2=O)C(=O)O","VXIMPSPISRVBPZ-NWUMPJBXSA-N",19090,TRUE,"PDBC01009",NA,"Absent",NA,NA
+"1010","Melatonin",NA,NA,NA,NA,NA,NA,"melatonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melatonin",NA,"COc1ccc2[nH]cc(CCNC(=O)C)c2c1","DRLFMBDRBRZALE-UHFFFAOYSA-N",896,NA,"PDBC01010","56423","Present",NA,NA
+"1011","Memantine",NA,NA,NA,NA,NA,NA,"memantine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(CC2CC3(C)C1)CC(N)(C2)C3","BUGYDGFZZOZRHP-UHFFFAOYSA-N",4054,TRUE,"PDBC01011",NA,"Absent",NA,NA
+"1012","Menadione",NA,NA,NA,NA,NA,NA,"menadione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kipca","menadione","CC1=CC(=O)c2ccccc2C1=O","MJVAVZPDRWSRRC-UHFFFAOYSA-N",4055,TRUE,"PDBC01012","4170","Present",NA,NA
+"1013","Mepenzolate bromide",NA,NA,NA,NA,NA,NA,"mepenzolate bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3","JRRNZNSGDSFFIR-UHFFFAOYSA-M",6461,TRUE,"PDBC01013",NA,"Absent",NA,NA
+"1014","Mephentermine",NA,NA,NA,NA,NA,NA,"mephentermine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNC(C)(C)Cc1ccccc1","RXQCGGRTAILOIN-UHFFFAOYSA-N",3677,TRUE,"PDBC01014",NA,"Absent",NA,NA
+"1015","Meropenem",NA,NA,NA,NA,NA,NA,"meropenem",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Meropenem",NA,NA,"C[C@@H](O)[C@H]([C@@H]1N=C([C@H](S[C@@H]2CN[C@H](C2)C(=O)N(C)C)[C@@H]1C)C(=O)O)C(=O)O","DMJNNHOOLUXYBV-PQTSNVLCSA-N",40466974,TRUE,"PDBC01015",NA,"Absent",NA,NA
+"1016","Mesoridazine",NA,NA,NA,NA,NA,NA,"mesoridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lidanil","mesoridazine","CN1CCCCC1CCN2c3ccccc3Sc4ccc(cc24)S(=O)C","SLVMESMUVMCQIY-UHFFFAOYSA-N",4078,TRUE,"PDBC01016","186066","Present",NA,NA
+"1017","Mestranol",NA,NA,NA,NA,NA,NA,"mestranol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethynylestradiol 3-methyl ether",NA,NA,"COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@@H]3CCc2c1","IMSSROKUHAOUJS-MJCUULBUSA-N",6291,TRUE,"PDBC01017",NA,"Absent",NA,NA
+"1018","Metampicillin",NA,NA,NA,NA,NA,NA,"metampicillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)SC2[C@H](NC(=O)C(N=C)c3ccccc3)C(=O)N2C1C(=O)O","FZECHKJQHUVANE-MCYUEQNJSA-N",6713928,NA,"PDBC01018",NA,"Absent",NA,NA
+"1019","Metaproterenol",NA,NA,NA,NA,NA,NA,"orciprenaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)NCC(O)c1cc(O)cc(O)c1","LMOINURANNBYCM-UHFFFAOYSA-N",4086,NA,"PDBC01019",NA,"Absent",NA,NA
+"1020","Metaraminol",NA,NA,NA,NA,NA,NA,"metaraminol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"metaraminol","CC(N)C(O)c1cccc(O)c1","WXFIGDLSSYIKKV-RCOVLWMOSA-N",5906,TRUE,"PDBC01020",NA,"Present",NA,NA
+"1021","Metergoline",NA,NA,NA,NA,NA,NA,"metergoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Metergoline","Metergoline",NA,"CN1CC(CNC(=O)OCc2ccccc2)C[C@@H]3C1Cc4cn(C)c5cccc3c45","WZHJKEUHNJHDLS-QTGUNEKASA-N",28693,NA,"PDBC01021","755878","Present",NA,NA
+"1022","Methacholine chloride",NA,NA,NA,NA,NA,NA,"methacholine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)C(C)C[N+](C)(C)C","JHPHVAVFUYTVCL-UHFFFAOYSA-M",6114,TRUE,"PDBC01022",NA,"Absent",NA,NA
+"1023","Methacycline",NA,NA,NA,NA,NA,NA,"metacycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methacycline","CN(C)[C@H]1[C@@H]2[C@@H](O)[C@@H]3C(=C)c4cccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N","MHIGBKBJSQVXNH-IWVLMIASSA-N",54675785,NA,"PDBC01023",NA,"Present",NA,NA
+"1024","Methantheline bromide",NA,NA,NA,NA,NA,NA,"methanthelinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc3ccccc13","PQMWYJDJHJQZDE-UHFFFAOYSA-M",5883,NA,"PDBC01024",NA,"Absent",NA,NA
+"1025","Methazolamide",NA,NA,NA,NA,NA,NA,"methazolamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)N=c1sc(nn1C)S(=O)(=O)N","FLOSMHQXBMRNHR-DAXSKMNVSA-N",4100,TRUE,"PDBC01025",NA,"Absent",NA,NA
+"1026","Methimazole",NA,NA,NA,NA,NA,NA,"thiamazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cn1ccnc1S","PMRYVIKBURPHAH-UHFFFAOYSA-N",1349907,NA,"PDBC01026",NA,"Absent",NA,NA
+"1027","Methocarbamol",NA,NA,NA,NA,NA,NA,"methocarbamol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methocarbamol","COc1ccccc1OCC(O)COC(=O)N","GNXFOGHNGIVQEH-UHFFFAOYSA-N",4107,TRUE,"PDBC01027",NA,"Present",NA,NA
+"1028","Levomepromazine",NA,NA,NA,NA,NA,NA,"levomepromazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2Sc3ccccc3N(C[C@H](C)CN(C)C)c2c1","VRQVVMDWGGWHTJ-CQSZACIVSA-N",72287,TRUE,"PDBC01028",NA,"Absent",NA,NA
+"1029","Methoxamine",NA,NA,NA,NA,NA,NA,"methoxamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CON","WJAJPNHVVFWKKL-UHFFFAOYSA-N",6082,TRUE,"PDBC01029",NA,"Absent",NA,NA
+"1030","Methoxsalen",NA,NA,NA,NA,NA,NA,"methoxsalen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methoxsalen",NA,"COc1c2occc2cc3ccc(=O)oc13","QXKHYNVANLEOEG-UHFFFAOYSA-N",4114,TRUE,"PDBC01030","45923","Present",NA,NA
+"1031","Methyldopa",NA,NA,NA,NA,NA,NA,"methyldopa",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyldopa","C[C@](N)(Cc1ccc(O)c(O)c1)C(=O)O","CJCSPKMFHVPWAR-JTQLQIEISA-N",38853,TRUE,"PDBC01031",NA,"Present",NA,NA
+"1032","Methylergonovine",NA,NA,NA,NA,NA,NA,"methylergometrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34","UNBRKDKAWYKMIV-QWQRMKEZSA-N",8226,NA,"PDBC01032",NA,"Absent",NA,NA
+"1033","Methylprednisolone",NA,NA,NA,NA,NA,NA,"methylprednisolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methylprednisolone","methylprednisolone","C[C@H]1CC2C3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)C2[C@@]4(C)C=CC(=O)C=C14","VHRSUDSXCMQTMA-PJHHCJLFSA-N",6741,TRUE,"PDBC01033","19987","Present",NA,NA
+"1034","Metoclopramide",NA,NA,NA,NA,NA,NA,"metoclopramide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC","TTWJBBZEZQICBI-UHFFFAOYSA-N",4168,TRUE,"PDBC01034",NA,"Absent",NA,NA
+"1035","Metolazone",NA,NA,NA,NA,NA,NA,"metolazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1Nc2cc(Cl)c(cc2C(=O)N1c3ccccc3C)S(=O)(=O)N","AQCHWTWZEMGIFD-UHFFFAOYSA-N",4170,TRUE,"PDBC01035",NA,"Absent",NA,NA
+"1036","Metoprolol",NA,NA,NA,NA,NA,NA,"metoprolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"metoprolol","COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1","IUBSYMUCCVWXPE-UHFFFAOYSA-N",4171,TRUE,"PDBC01036",NA,"Present",NA,NA
+"1037","Metrizamide",NA,NA,NA,NA,NA,NA,"metrizamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)c1I","BAQCROVBDNBEEB-UBYUBLNFSA-N",443944,TRUE,"PDBC01037",NA,"Absent",NA,NA
+"1038","Metronidazole",NA,NA,NA,NA,NA,NA,"metronidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"metronidazole","Cc1ncc([N+](=O)[O-])n1CCO","VAOCPAMSLUNLGC-UHFFFAOYSA-N",4173,TRUE,"PDBC01038",NA,"Present",NA,NA
+"1039","Metyrapone",NA,NA,NA,NA,NA,NA,"metyrapone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"metyrapone","CC(C)(C(=O)c1cccnc1)c2cccnc2","FJLBFSROUSIWMA-UHFFFAOYSA-N",4174,TRUE,"PDBC01039",NA,"Present",NA,NA
+"1040","Mexiletine",NA,NA,NA,NA,NA,NA,"mexiletine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mexiletine","CC(N)COc1c(C)cccc1C","VLPIATFUUWWMKC-UHFFFAOYSA-N",4178,TRUE,"PDBC01040",NA,"Present",NA,NA
+"1041","Mianserin",NA,NA,NA,NA,NA,NA,"mianserin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCN2C(C1)c3ccccc3Cc4ccccc24","UEQUQVLFIPOEMF-UHFFFAOYSA-N",4184,NA,"PDBC01041",NA,"Absent",NA,NA
+"1042","Midecamycin",NA,NA,NA,NA,NA,NA,"midecamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(=O)O[C@H]1C(C)O[C@](C)(C[C@]1(C)O)O[C@@H]2C(C)O[C@@H](CO[C@@H]3[C@@H](C)[C@@H](CC(=O)O[C@H](C)CC=CC=C[C@H](O)[C@H](C)C[C@@H]3CC(=O)C)OC(=O)CC)[C@H](O)[C@@H]2N(C)C","DMUAPQTXSSNEDD-KTNMPIKDSA-N",5382853,NA,"PDBC01042",NA,"Absent",NA,NA
+"1043","Midodrine",NA,NA,NA,NA,NA,NA,"midodrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"midodrine","COc1ccc(OC)c(c1)C(O)CNC(=O)CN","PTKSEFOSCHHMPD-UHFFFAOYSA-N",4195,TRUE,"PDBC01043",NA,"Present",NA,NA
+"1044","Mifepristone",NA,NA,NA,NA,NA,NA,"mifepristone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mifepristone","mifepristone","CC#CC1(O)CCC2C3CCC4=CC(=O)CCC4=C3C(CC21C)c5ccc(cc5)N(C)C","VKHAHZOOUSRJNA-GCNJZUOMSA-N",55245,TRUE,"PDBC01044","652104","Present",NA,NA
+"1045","Milrinone",NA,NA,NA,NA,NA,NA,"milrinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1[nH]c(=O)c(C#N)cc1c2ccncc2","PZRHRDRVRGEVNW-UHFFFAOYSA-N",4197,TRUE,"PDBC01045",NA,"Absent",NA,NA
+"1046","Minaprine",NA,NA,NA,NA,NA,NA,"minaprine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(nnc1NCCN2CCOCC2)c3ccccc3","LDMWSLGGVTVJPG-UHFFFAOYSA-N",4199,NA,"PDBC01046",NA,"Absent",NA,NA
+"1047","Minocycline",NA,NA,NA,NA,NA,NA,"minocycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757120","minocycline","CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C","FFTVPQUHLQBXQZ-KVUCHLLUSA-N",54675783,TRUE,"PDBC01047","757120","Present",NA,NA
+"1048","Mitoxantrone",NA,NA,NA,NA,NA,NA,"mitoxantrone",NA,NA,NA,NA,NA,NA,NA,"Mitoxantrone",NA,NA,NA,"Mitoxantrone dihydrochloride","MITOXANTRONE///Mitoxantrone","mitoxantrone","OCCNCCNc1ccc(NCCNCCO)c2C(=O)c3c(O)ccc(O)c3C(=O)c12","KKZJGLLVHKMTCM-UHFFFAOYSA-N",4212,TRUE,"PDBC01048","279836///301739","Present",NA,NA
+"1049","Molindone",NA,NA,NA,NA,NA,NA,"molindone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCc1c(C)[nH]c2CCC(CN3CCOCC3)C(=O)c12","KLPWJLBORRMFGK-UHFFFAOYSA-N",23897,TRUE,"PDBC01049",NA,"Absent",NA,NA
+"1050","Molsidomine",NA,NA,NA,NA,NA,NA,"molsidomine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)Nc1c[n+](no1)N2CCOCC2","XLFWDASMENKTKL-UHFFFAOYSA-N",4238,NA,"PDBC01050",NA,"Absent",NA,NA
+"1051","Mometasone",NA,NA,NA,NA,NA,NA,"mometasone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mometasone furoate",NA,NA,"C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c5ccco5)C(=O)CCl","QLIIKPVHVRXHRI-CXSFZGCWSA-N",441335,TRUE,"PDBC01051",NA,"Absent",NA,NA
+"1052","Monobenzone",NA,NA,NA,NA,NA,NA,"monobenzone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"monobenzone","Oc1ccc(OCc2ccccc2)cc1","VYQNWZOUAUKGHI-UHFFFAOYSA-N",7638,TRUE,"PDBC01052",NA,"Present",NA,NA
+"1053","Morantel",NA,NA,NA,NA,NA,NA,"morantel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCCN=C1/C=C/c2sccc2C","NVEPPWDVLBMNMB-SNAWJCMRSA-N",5353792,NA,"PDBC01053",NA,"Absent",NA,NA
+"1054","Moricizine",NA,NA,NA,NA,NA,NA,"moracizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)Nc1ccc2Sc3ccccc3N(C(=O)CCN4CCOCC4)c2c1","FUBVWMNBEHXPSU-UHFFFAOYSA-N",34633,NA,"PDBC01054",NA,"Absent",NA,NA
+"1055","Latamoxef",NA,NA,NA,NA,NA,NA,"latamoxef",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO[C@]1(NC(=O)C(C(=O)O)c2ccc(O)cc2)[C@H]3OCC(=C(N3C1=O)C(=O)O)CSc4nnnn4C","JWCSIUVGFCSJCK-CAVRMKNVSA-N",47499,NA,"PDBC01055",NA,"Absent",NA,NA
+"1056","Moxisylyte",NA,NA,NA,NA,NA,NA,"moxisylyte",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)c1cc(OC(=O)C)c(C)cc1OCCN(C)C","VRYMTAVOXVTQEF-UHFFFAOYSA-N",4260,NA,"PDBC01056",NA,"Absent",NA,NA
+"1057","Moxonidine",NA,NA,NA,NA,NA,NA,"moxonidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1nc(C)nc(Cl)c1NC2=NCCN2","WPNJAUFVNXKLIM-UHFFFAOYSA-N",4810,NA,"PDBC01057",NA,"Absent",NA,NA
+"1058","Mycophenolic acid",NA,NA,NA,NA,NA,NA,"mycophenolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"melbex","mycophenolic-acid","COc1c(C)c2COC(=O)c2c(O)c1C/C=C(\C)/CCC(=O)O","HPNSFSBZBAHARI-RUDMXATFSA-N",446541,TRUE,"PDBC01058","129185///757424","Present",NA,NA
+"1059","Nabumetone",NA,NA,NA,NA,NA,NA,"nabumetone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2cc(CCC(=O)C)ccc2c1","BLXXJMDCKKHMKV-UHFFFAOYSA-N",4409,TRUE,"PDBC01059",NA,"Absent",NA,NA
+"1060","Nadolol",NA,NA,NA,NA,NA,NA,"nadolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)NCC(O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12","VWPOSFSPZNDTMJ-UCWKZMIHSA-N",39147,TRUE,"PDBC01060",NA,"Absent",NA,NA
+"1061","Nafcillin",NA,NA,NA,NA,NA,NA,"nafcillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nafcillin","CCOc1ccc2ccccc2c1NC(=O)[C@H]3[C@H]4SC(C)(C)C(N4C3=O)C(=O)O","GPXLMGHLHQJAGZ-JTDSTZFVSA-N",8982,TRUE,"PDBC01061",NA,"Present",NA,NA
+"1062","Naftifine",NA,NA,NA,NA,NA,NA,"naftifine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naftifine","CN(C/C=C/c1ccccc1)Cc2cccc3ccccc23","OZGNYLLQHRPOBR-DHZHZOJOSA-N",47641,TRUE,"PDBC01062",NA,"Present",NA,NA
+"1063","Naftopidil",NA,NA,NA,NA,NA,NA,"naftopidil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccccc1N2CCN(CC(O)COc3cccc4ccccc34)CC2","HRRBJVNMSRJFHQ-UHFFFAOYSA-N",4418,NA,"PDBC01063",NA,"Absent",NA,NA
+"1064","Nalbuphine",NA,NA,NA,NA,NA,NA,"nalbuphine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c54","NETZHAKZCGBWSS-CEDHKZHLSA-N",5311304,TRUE,"PDBC01064",NA,"Absent",NA,NA
+"1065","Nalidixic acid",NA,NA,NA,NA,NA,NA,"nalidixic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nalidixic Acid",NA,"CCn1cc(C(=O)O)c(=O)c2ccc(C)nc12","MHWLWQUZZRMNGJ-UHFFFAOYSA-N",4421,TRUE,"PDBC01065","82174","Present",NA,NA
+"1066","Naloxone",NA,NA,NA,NA,NA,NA,"naloxone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naloxone","Oc1ccc2C[C@H]3N(CC=C)CC[C@]4([C@H]5Oc1c24)[C@@]3(O)CCC5=O","UZHSEJADLWPNLE-GRGSLBFTSA-N",5284596,TRUE,"PDBC01066",NA,"Present",NA,NA
+"1067","Naltrexone",NA,NA,NA,NA,NA,NA,"naltrexone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naltrexone","Oc1ccc2C[C@H]3N(CC4CC4)CCC5([C@H]6Oc1c25)[C@@]3(O)CCC6=O","DQCKKXVULJGBQN-XFWGSAIBSA-N",5360515,TRUE,"PDBC01067",NA,"Present",NA,NA
+"1068","Naphazoline",NA,NA,NA,NA,NA,NA,"naphazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(C1=NCCN1)c2cccc3ccccc23","CNIIGCLFLJGOGP-UHFFFAOYSA-N",4436,TRUE,"PDBC01068",NA,"Absent",NA,NA
+"1069","Naproxen",NA,NA,NA,NA,NA,NA,"naproxen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naproxen","COc1ccc2cc(ccc2c1)[C@H](C)C(=O)O","CMWTZPSULFXXJA-VIFPVBQESA-N",156391,TRUE,"PDBC01069",NA,"Present",NA,NA
+"1070","Natamycin",NA,NA,NA,NA,NA,NA,"natamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1O[C@@](C)(OC2C[C@H]3O[C@](O)(C[C@@H](O)[C@@H]3C(=O)O)C[C@H](O)C[C@@H]4O[C@H]4C=CC(=O)O[C@H](C)CC=CC=CC=CC=C2)[C@@H](O)[C@H](N)[C@@H]1O","NCXMLFZGDNKEPB-FFPOYIOWSA-N",5284447,TRUE,"PDBC01070",NA,"Absent",NA,NA
+"1071","Nefopam",NA,NA,NA,NA,NA,NA,"nefopam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCOC(c2ccccc2)c3ccccc3C1","RGPDEAGGEXEMMM-UHFFFAOYSA-N",4450,NA,"PDBC01071",NA,"Absent",NA,NA
+"1072","Neomycin",NA,NA,NA,NA,NA,NA,"neomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](N)C[C@@H](N)[C@@H]3O[C@@H]4O[C@H](CN)[C@@H](O)[C@@H](O)[C@H]4N)O[C@@H]2CO)[C@@H](N)[C@H](O)[C@@H]1O","PGBHMTALBVVCIT-VCIWKGPPSA-N",8378,TRUE,"PDBC01072",NA,"Absent",NA,NA
+"1073","Netilmicin",NA,NA,NA,NA,NA,NA,"netilmicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCNC1CC(N)C(OC2OC(=CCC2N)CN)C(O)C1OC3OCC(C)(O)C(NC)C3O","CIDUJQMULVCIBT-MQDUPKMGSA-N",441306,TRUE,"PDBC01073",NA,"Absent",NA,NA
+"1074","Nicotinic acid",NA,NA,NA,NA,NA,NA,"nicotinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nicotinic acid","niacin","OC(=O)c1cccnc1","PVNIIMVLHYAWGP-UHFFFAOYSA-N",938,NA,"PDBC01074","15010","Present",NA,NA
+"1075","Nicardipine",NA,NA,NA,NA,NA,NA,"nicardipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OCCN(C)Cc3ccccc3)C","ZBBHBTPTTSWHBA-UHFFFAOYSA-N",4474,TRUE,"PDBC01075",NA,"Absent",NA,NA
+"1076","Nicergoline",NA,NA,NA,NA,NA,NA,"nicergoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO[C@@]12C[C@@H](COC(=O)c3cncc(Br)c3)CN(C)[C@@H]2Cc4cn(C)c5cccc1c45","YSEXMKHXIOCEJA-FVFQAYNVSA-N",34040,NA,"PDBC01076",NA,"Absent",NA,NA
+"1077","Niclosamide",NA,NA,NA,NA,NA,NA,"niclosamide","niclosamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Niclosamide","niclosamide (usan)///mato","niclosamide","Oc1ccc(Cl)cc1C(=O)Nc2ccc(cc2Cl)[N+](=O)[O-]","RJMUSRYZPJIFPJ-UHFFFAOYSA-N",4477,TRUE,"PDBC01077","758440///178296","Present",NA,NA
+"1078","Nifenazone",NA,NA,NA,NA,NA,NA,"nifenazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1c(NC(=O)c2cccnc2)c(=O)n(c3ccccc3)n1C","BRZANEXCSZCZCI-UHFFFAOYSA-N",4487,NA,"PDBC01078",NA,"Absent",NA,NA
+"1079","Nifuroxazide",NA,NA,NA,NA,NA,NA,"nifuroxazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nifuroxazide",NA,"Oc1ccc(cc1)C(=O)N/N=C/c2ccc(o2)[N+](=O)[O-]","YCWSUKQGVSGXJO-NTUHNPAUSA-N",5337997,NA,"PDBC01079","759261","Present",NA,NA
+"1080","Nilutamide",NA,NA,NA,NA,NA,NA,"nilutamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nilutamide","CC1(C)NC(=O)N(C1=O)c2ccc([N+](=O)[O-])c(c2)C(F)(F)F","XWXYUMMDTVBTOU-UHFFFAOYSA-N",4493,TRUE,"PDBC01080",NA,"Present","nilutamide",NA
+"1081","Nimesulide",NA,NA,NA,NA,NA,NA,"nimesulide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS(=O)(=O)Nc1ccc(cc1Oc2ccccc2)[N+](=O)[O-]","HYWYRSMBCFDLJT-UHFFFAOYSA-N",4495,NA,"PDBC01081",NA,"Absent",NA,NA
+"1082","Nitrofurantoin",NA,NA,NA,NA,NA,NA,"nitrofurantoin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[O-][N+](=O)c1ccc(C=NN2CC(=O)NC2=O)o1","NXFQHRVNIOXGAQ-YCRREMRBSA-N",6604200,TRUE,"PDBC01082",NA,"Absent",NA,NA
+"1083","Nitrofurazone",NA,NA,NA,NA,NA,NA,"nitrofural",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=O)N/N=C/c1ccc(o1)[N+](=O)[O-]","IAIWVQXQOWNYOU-FPYGCLRLSA-N",5447130,NA,"PDBC01083",NA,"Absent",NA,NA
+"1084","Nizatidine",NA,NA,NA,NA,NA,NA,"nizatidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nizatidine","CN/C(=C/[N+](=O)[O-])/NCCSCc1csc(CN(C)C)n1","SGXXNSQHWDMGGP-IZZDOVSWSA-N",3033637,TRUE,"PDBC01084",NA,"Present",NA,NA
+"1085","Nomifensine",NA,NA,NA,NA,NA,NA,"nomifensine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CC(c2ccccc2)c3cccc(N)c3C1","XXPANQJNYNUNES-UHFFFAOYSA-N",4528,NA,"PDBC01085",NA,"Absent",NA,NA
+"1086","Norethindrone",NA,NA,NA,NA,NA,NA,"norethisterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"norethindrone///norethindrone-acetate","CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34","VIKNJXKGJWUCNN-XGXHKTLJSA-N",6230,NA,"PDBC01086",NA,"Present",NA,NA
+"1087","Norethynodrel",NA,NA,NA,NA,NA,NA,"noretynodrel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"noretynodrel","C[C@@]12CCC3C(CCC4=C3CCC(=O)C4)C2CC[C@@]1(O)C#C","ICTXHFFSOAJUMG-SLHNCBLASA-N",6231,NA,"PDBC01087",NA,"Present",NA,NA
+"1088","Norfloxacin",NA,NA,NA,NA,NA,NA,"norfloxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"norfloxacin","CCn1cc(C(=O)O)c(=O)c2cc(F)c(cc12)N3CCNCC3","OGJPXUAPXNRGGI-UHFFFAOYSA-N",4539,TRUE,"PDBC01088",NA,"Present",NA,NA
+"1089","Levonorgestrel",NA,NA,NA,NA,NA,NA,"levonorgestrel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"levonorgestrel///norgestrel","CC[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]2CC[C@@]1(O)C#C","WWYNJERNGUHSAO-XUDSTZEESA-N",13109,TRUE,"PDBC01089",NA,"Present",NA,NA
+"1090","Nortriptyline",NA,NA,NA,NA,NA,NA,"nortriptyline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nortriptyline hydrochloride",NA,NA,"CNCCC=C1c2ccccc2CCc3ccccc13","PHVGLTMQBUFIQQ-UHFFFAOYSA-N",4543,TRUE,"PDBC01090",NA,"Absent",NA,NA
+"1091","Noscapine",NA,NA,NA,NA,NA,NA,"noscapine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Noscapine",NA,"COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5c(OC)c34","AKNNEGZIBPJZJG-MSOLQXFVSA-N",275196,NA,"PDBC01091","5366","Present",NA,NA
+"1092","Nilstat",NA,NA,NA,NA,NA,NA,"nystatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1OC(OC2CC3O[C@@](O)(CC(O)C3C(=O)O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)C=CC=CCCC=CC=CC=CC=C2)[C@@H](O)[C@@H](N)[C@@H]1O","VQOXZBDYSJBXMA-NQTDYLQESA-N",11286230,TRUE,"PDBC01092",NA,"Absent",NA,NA
+"1093","Ofloxacin",NA,NA,NA,NA,NA,NA,"ofloxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ofloxacin",NA,"CC1COc2c(N3CCN(C)CC3)c(F)cc4c(=O)c(cn1c24)C(=O)O","GSDSWSVVBLHKDQ-UHFFFAOYSA-N",3288597,TRUE,"PDBC01093","727071","Present",NA,NA
+"1094","Matromycin",NA,NA,NA,NA,NA,NA,"oleandomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](OC3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@]4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1O","RZPAKFUAFGMUPI-QESOVKLGSA-N",72493,NA,"PDBC01094",NA,"Absent",NA,NA
+"1095","Omeprazole",NA,NA,NA,NA,NA,NA,"omeprazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"omeprazole","COc1ccc2[nH]c(nc2c1)S(=O)Cc3ncc(C)c(OC)c3C","SUBDBMMJDZJVOS-UHFFFAOYSA-N",4594,TRUE,"PDBC01095",NA,"Present",NA,NA
+"1096","Ondansetron",NA,NA,NA,NA,NA,NA,"ondansetron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1nccn1C[C@@H]2CCc3c(C2=O)c4ccccc4n3C","FELGMEQIXOGIFQ-UHFFFAOYSA-N",4595,TRUE,"PDBC01096",NA,"Absent",NA,NA
+"1097","Orlistat",NA,NA,NA,NA,NA,NA,"orlistat",NA,NA,NA,NA,NA,NA,"Orlistat",NA,NA,NA,NA,NA,NA,NA,"CCCCCCCCCCC[C@H](C[C@@H]1OC(=O)[C@@H]1CCCCCC)OC(=O)[C@H](CC(C)C)NC=O","AHLBNYSZXLDEJQ-FWEHEUNISA-N",3034010,TRUE,"PDBC01097",NA,"Absent",NA,NA
+"1098","Ornidazole",NA,NA,NA,NA,NA,NA,"ornidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ncc([N+](=O)[O-])n1CC(O)CCl","IPWKIXLWTCNBKN-UHFFFAOYSA-N",28061,NA,"PDBC01098",NA,"Absent",NA,NA
+"1099","Orphenadrine",NA,NA,NA,NA,NA,NA,"orphenadrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCOC(c1ccccc1)c2ccccc2C","QVYRGXJJSLMXQH-UHFFFAOYSA-N",4601,TRUE,"PDBC01099",NA,"Absent",NA,NA
+"1100","Oxamniquine",NA,NA,NA,NA,NA,NA,"oxamniquine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)NCC1CCc2cc(CO)c(cc2N1)[N+](=O)[O-]","XCGYUJZMCCFSRP-UHFFFAOYSA-N",4612,TRUE,"PDBC01100",NA,"Absent",NA,NA
+"1101","Oxaprozin",NA,NA,NA,NA,NA,NA,"oxaprozin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxaprozin",NA,"OC(=O)CCc1nc(c(o1)c2ccccc2)c3ccccc3","OFPXSFXSNFPTHF-UHFFFAOYSA-N",4614,TRUE,"PDBC01101","310839","Present",NA,NA
+"1102","Synephrine",NA,NA,NA,NA,NA,NA,"oxedrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNCC(O)c1ccc(O)cc1","YRCWQPVGYLYSOX-UHFFFAOYSA-N",7172,NA,"PDBC01102",NA,"Absent",NA,NA
+"1103","Oxolamine",NA,NA,NA,NA,NA,NA,"oxolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCc1nc(no1)c2ccccc2","IDCHQQSVJAAUQQ-UHFFFAOYSA-N",13738,NA,"PDBC01103",NA,"Absent",NA,NA
+"1104","Oxprenolol",NA,NA,NA,NA,NA,NA,"oxprenolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxprenolol","CC(C)NCC(O)COc1ccccc1OCC=C","CEMAWMOMDPGJMB-UHFFFAOYSA-N",4631,TRUE,"PDBC01104",NA,"Present",NA,NA
+"1105","Oxybenzone",NA,NA,NA,NA,NA,NA,"oxybenzone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"anuvex",NA,"COc1ccc(C(=O)c2ccccc2)c(O)c1","DXGLGDHPHMLXJC-UHFFFAOYSA-N",4632,TRUE,"PDBC01105","7778","Present",NA,NA
+"1106","Oxybutynin",NA,NA,NA,NA,NA,NA,"oxybutynin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CC#CCOC(=O)[C@@](O)(C1CCCCC1)c2ccccc2","XIQVNETUBQGFHX-UHFFFAOYSA-N",4634,TRUE,"PDBC01106",NA,"Absent",NA,NA
+"1107","Oxymetazoline",NA,NA,NA,NA,NA,NA,"oxymetazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxymetazoline","Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C","WYWIFABBXFUGLM-UHFFFAOYSA-N",4636,TRUE,"PDBC01107",NA,"Present",NA,NA
+"1108","Oxyphenbutazone",NA,NA,NA,NA,NA,NA,"oxyphenbutazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3","CNDQSXOVEQXJOE-UHFFFAOYSA-N",104811,TRUE,"PDBC01108",NA,"Absent",NA,NA
+"1109","Oxytetracycline",NA,NA,NA,NA,NA,NA,"oxytetracycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O","IWVCMVBTMGNXQD-PXOLEDIWSA-N",54675779,TRUE,"PDBC01109",NA,"Absent",NA,NA
+"1110","Pancuronium bromide",NA,NA,NA,NA,NA,NA,"pancuronium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)C)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)[N+]5(C)CCCCC5)[N+]6(C)CCCCC6","NPIJXCQZLFKBMV-YTGGZNJNSA-L",27350,TRUE,"PDBC01110",NA,"Absent",NA,NA
+"1111","Papaverine",NA,NA,NA,NA,NA,NA,"papaverine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Papaverine Hydrochloride","papaverine","COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC","XQYZDYMELSJDRZ-UHFFFAOYSA-N",4680,NA,"PDBC01111","35443","Present",NA,NA
+"1112","Pargyline",NA,NA,NA,NA,NA,NA,"pargyline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(CC#C)Cc1ccccc1","DPWPWRLQFGFJFI-UHFFFAOYSA-N",4688,TRUE,"PDBC01112",NA,"Absent",NA,NA
+"1113","Paromomycin",NA,NA,NA,NA,NA,NA,"paromomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)O[C@@H]2CO)[C@H](N)[C@@H](O)[C@@H]1O","UOZODPSAJZTQNH-LSWIJEOBSA-N",165580,TRUE,"PDBC01113",NA,"Absent",NA,NA
+"1114","Paroxetine",NA,NA,NA,NA,NA,NA,"paroxetine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3","AHOUBRCZNHFOSL-YOEHRIQHSA-N",43815,TRUE,"PDBC01114",NA,"Absent",NA,NA
+"1115","Penbutolol",NA,NA,NA,NA,NA,NA,"penbutolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)NC[C@H](O)COc1ccccc1C2CCCC2","KQXKVJAGOJTNJS-HNNXBMFYSA-N",37464,TRUE,"PDBC01115",NA,"Absent",NA,NA
+"1116","Penicillin g",NA,NA,NA,NA,NA,NA,"benzylpenicillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(=O)O","JGSARLDLIJGVTE-MBNYWOFBSA-N",5904,NA,"PDBC01116",NA,"Absent",NA,NA
+"1117","benzathine benzylpenicillin",NA,NA,NA,NA,NA,NA,"benzathine benzylpenicillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)O.C(CNCc1ccccc1)NCc2ccccc2","BVGLIYRKPOITBQ-ANPZCEIESA-N",15232,NA,"PDBC01117",NA,"Absent",NA,NA
+"1118","Pentoxifylline",NA,NA,NA,NA,NA,NA,"pentoxifylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O","BYPFEZZEUUWMEJ-UHFFFAOYSA-N",4740,TRUE,"PDBC01118",NA,"Absent",NA,NA
+"1119","Pergolide",NA,NA,NA,NA,NA,NA,"pergolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCN1C[C@H](CSC)C[C@H]2[C@H]1Cc3c[nH]c4cccc2c34","YEHCICAEULNIGD-MZMPZRCHSA-N",47811,TRUE,"PDBC01119",NA,"Absent",NA,NA
+"1120","Perhexiline",NA,NA,NA,NA,NA,NA,"perhexiline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Perhexiline maleate",NA,NA,"C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3","CYXKNKQEMFBLER-UHFFFAOYSA-N",4746,NA,"PDBC01120",NA,"Absent",NA,NA
+"1121","Perphenazine",NA,NA,NA,NA,NA,NA,"perphenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Perphenazine","PERPHENAZINE",NA,"OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1","RGCVKNLCSQQDEP-UHFFFAOYSA-N",4748,TRUE,"PDBC01121","758649","Present",NA,NA
+"1122","Phenazopyridine",NA,NA,NA,NA,NA,NA,"phenazopyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1ccc(N=Nc2ccccc2)c(N)n1","QPFYXYFORQJZEC-FOCLMDBBSA-N",4756,TRUE,"PDBC01122",NA,"Absent",NA,NA
+"1123","Phenindione",NA,NA,NA,NA,NA,NA,"phenindione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C1C(C(=O)c2ccccc12)c3ccccc3","NFBAXHOPROOJAW-UHFFFAOYSA-N",4760,TRUE,"PDBC01123",NA,"Absent",NA,NA
+"1124","Pheniramine",NA,NA,NA,NA,NA,NA,"pheniramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pheniramine","CN(C)CCC(c1ccccc1)c2ccccn2","IJHNSHDBIRRJRN-UHFFFAOYSA-N",4761,TRUE,"PDBC01124",NA,"Present",NA,NA
+"1125","Phenoxybenzamine",NA,NA,NA,NA,NA,NA,"phenoxybenzamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(COc1ccccc1)N(CCCl)Cc2ccccc2","QZVCTJOXCFMACW-UHFFFAOYSA-N",4768,TRUE,"PDBC01125",NA,"Absent",NA,NA
+"1126","Phensuximide",NA,NA,NA,NA,NA,NA,"phensuximide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C(=O)CC(C1=O)c2ccccc2","WLWFNJKHKGIJNW-UHFFFAOYSA-N",6839,TRUE,"PDBC01126",NA,"Absent",NA,NA
+"1127","Phentolamine",NA,NA,NA,NA,NA,NA,"phentolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=CC=C(CC1)N(CC2=NCCN2)c3cccc(O)c3","MRBDMNSDAVCSSF-UHFFFAOYSA-N",4920903,TRUE,"PDBC01127",NA,"Absent",NA,NA
+"1128","Norephedrine",NA,NA,NA,NA,NA,NA,"phenylpropanolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(N)C(O)c1ccccc1","DLNKOYKMWOXYQA-VXNVDRBHSA-N",26934,TRUE,"PDBC01128",NA,"Absent",NA,NA
+"1129","Picotamide",NA,NA,NA,NA,NA,NA,"picotamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(cc1C(=O)NCc2cccnc2)C(=O)NCc3cccnc3","KYWCWBXGRWWINE-UHFFFAOYSA-N",4814,NA,"PDBC01129",NA,"Absent",NA,NA
+"1130","Pilocarpine",NA,NA,NA,NA,NA,NA,"pilocarpine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"epicar","pilocarpine","CCC1C(COC1=O)CC2=CN=CN2C","QCHFTSOMWOSFHM-WPRPVWTQSA-N",5910,TRUE,"PDBC01130","5746","Present",NA,NA
+"1131","Pimozide",NA,NA,NA,NA,NA,NA,"pimozide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pimozide","Pimozide",NA,"Fc1ccc(cc1)C(CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34)c5ccc(F)cc5Cl","YVUQSNJEYSNKRX-UHFFFAOYSA-N",16362,TRUE,"PDBC01131","757854///170984","Present",NA,NA
+"1132","Pindolol",NA,NA,NA,NA,NA,NA,"pindolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pindolol","CC(C)NCC(O)COc1cccc2[nH]ccc12","JZQKKSLKJUAGIC-UHFFFAOYSA-N",4828,TRUE,"PDBC01132",NA,"Present",NA,NA
+"1133","Pioglitazone",NA,NA,NA,NA,NA,NA,"pioglitazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1","HYAFETHFCAUJAY-UHFFFAOYSA-N",4829,TRUE,"PDBC01133",NA,"Absent","pioglitazone",NA
+"1134","Piperacetazine",NA,NA,NA,NA,NA,NA,"piperacetazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"piperacetazine","CC(=O)c1ccc2Sc3ccccc3N(CCCN4CCC(CCO)CC4)c2c1","BTFMCMVEUCGQDX-UHFFFAOYSA-N",19675,TRUE,"PDBC01134",NA,"Present",NA,NA
+"1135","Piperacillin",NA,NA,NA,NA,NA,NA,"piperacillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4ccccc4)C(=O)C1=O","IVBHGBMCVLDMKU-GXNBUGAJSA-N",43672,TRUE,"PDBC01135",NA,"Absent",NA,NA
+"1136","Piracetam",NA,NA,NA,NA,NA,NA,"piracetam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=O)CN1CCCC1=O","GMZVRMREEHBGGF-UHFFFAOYSA-N",4843,NA,"PDBC01136",NA,"Absent",NA,NA
+"1137","Pirenzepine",NA,NA,NA,NA,NA,NA,"pirenzepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCN(CC(=O)N2c3ccccc3C(=O)Nc4cccnc24)CC1","RMHMFHUVIITRHF-UHFFFAOYSA-N",4848,NA,"PDBC01137",NA,"Absent",NA,NA
+"1138","Piroxicam",NA,NA,NA,NA,NA,NA,"piroxicam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piroxicam","piroxicam","CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3ccccn3","QYSPLQLAKJAUJT-UHFFFAOYSA-N",54676228,TRUE,"PDBC01138","666076","Present",NA,NA
+"1139","Podofilox",NA,NA,NA,NA,NA,NA,"podophyllotoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"podofilox (usan)///podophyllotoxin","podophyllotoxin","COc1cc(cc(OC)c1OC)[C@H]2[C@@H]3C(COC3=O)[C@@H](O)c4cc5OCOc5cc24","YJGVMLPVUAXIQN-XVVDYKMHSA-N",10607,NA,"PDBC01139","759591///24818","Present",NA,NA
+"1140","Pralidoxime",NA,NA,NA,NA,NA,NA,"pralidoxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[n+]1ccccc1C=NO","JBKPUQTUERUYQE-VOTSOKGWSA-O",5353894,TRUE,"PDBC01140",NA,"Absent",NA,NA
+"1141","Pramocaine",NA,NA,NA,NA,NA,NA,"pramocaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCOc1ccc(OCCCN2CCOCC2)cc1","DQKXQSGTHWVTAD-UHFFFAOYSA-N",4886,NA,"PDBC01141",NA,"Absent",NA,NA
+"1142","Praziquantel",NA,NA,NA,NA,NA,NA,"praziquantel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C(C1CCCCC1)N2C[C@@H]3N(CCc4ccccc34)C(=O)C2","FSVJFNAIGNNGKK-UHFFFAOYSA-N",4891,TRUE,"PDBC01142",NA,"Absent",NA,NA
+"1143","Prazosin",NA,NA,NA,NA,NA,NA,"prazosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prazosin Hydrochloride","prazosin","COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4)N)OC","IENZQIKPVFGBNW-UHFFFAOYSA-N",4893,TRUE,"PDBC01143","292810","Present",NA,NA
+"1144","Prednisone",NA,NA,NA,NA,NA,NA,"prednisone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prednisone",NA,"C[C@@]12CC(=O)C3C(CCC4=CC(=O)C=C[C@]34C)C2CC[C@]1(O)C(=O)CO","XOFYZVNMUHMLCC-ZPOLXVRWSA-N",5865,TRUE,"PDBC01144","10023","Present",NA,NA
+"1145","Pridinol",NA,NA,NA,NA,NA,NA,"pridinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"parks",NA,"OC(CCN1CCCCC1)(c2ccccc2)c3ccccc3","RQXCLMGKHJWMOA-UHFFFAOYSA-N",4904,NA,"PDBC01145","23016","Present",NA,NA
+"1146","Prilocaine",NA,NA,NA,NA,NA,NA,"prilocaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCNC(C)C(=O)Nc1ccccc1C","MVFGUOIZUNYYSO-UHFFFAOYSA-N",4906,TRUE,"PDBC01146",NA,"Absent",NA,NA
+"1147","Primaquine",NA,NA,NA,NA,NA,NA,"primaquine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Primaquine diphosphate",NA,"primaquine","COc1cc(NC(C)CCCN)c2ncccc2c1","INDBQLZJXZLFIT-UHFFFAOYSA-N",4908,TRUE,"PDBC01147",NA,"Present",NA,NA
+"1148","Primidone",NA,NA,NA,NA,NA,NA,"primidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC1(C(=O)NCNC1=O)c2ccccc2","DQMZLTXERSFNPB-UHFFFAOYSA-N",4909,TRUE,"PDBC01148",NA,"Absent",NA,NA
+"1149","Probenecid",NA,NA,NA,NA,NA,NA,"probenecid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)O","DBABZHXKTCFAPX-UHFFFAOYSA-N",4911,TRUE,"PDBC01149",NA,"Absent",NA,NA
+"1150","Procainamide",NA,NA,NA,NA,NA,NA,"procainamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCNC(=O)c1ccc(N)cc1","REQCZEXYDRLIBE-UHFFFAOYSA-N",4913,TRUE,"PDBC01150",NA,"Absent",NA,NA
+"1151","Procaine",NA,NA,NA,NA,NA,NA,"procaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCOC(=O)c1ccc(N)cc1","MFDFERRIHVXMIY-UHFFFAOYSA-N",4914,TRUE,"PDBC01151",NA,"Absent",NA,NA
+"1152","Procarbazine",NA,NA,NA,NA,NA,NA,"procarbazine","procarbazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Procarbazine",NA,"CNNCc1ccc(cc1)C(=O)NC(C)C","CPTBDICYNRMXFX-UHFFFAOYSA-N",4915,TRUE,"PDBC01152","77213","Present",NA,NA
+"1153","Procyclidine",NA,NA,NA,NA,NA,NA,"procyclidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(CCN1CCCC1)(C2CCCCC2)c3ccccc3","WYDUSKDSKCASEF-UHFFFAOYSA-N",4919,TRUE,"PDBC01153",NA,"Absent",NA,NA
+"1154","Progesterone",NA,NA,NA,NA,NA,NA,"progesterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lutex",NA,"CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C","RJKFOVLPORLFTN-LEKSSAKUSA-N",5994,TRUE,"PDBC01154","9704","Present",NA,NA
+"1155","Proglumide",NA,NA,NA,NA,NA,NA,"proglumide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)c1ccccc1","DGMKFQYCZXERLX-UHFFFAOYSA-N",4922,NA,"PDBC01155",NA,"Absent",NA,NA
+"1156","Promethazine",NA,NA,NA,NA,NA,NA,"promethazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(CN1c2ccccc2Sc3ccccc13)N(C)C","PWWVAXIEGOYWEE-UHFFFAOYSA-N",4927,TRUE,"PDBC01156",NA,"Absent",NA,NA
+"1157","Propafenone",NA,NA,NA,NA,NA,NA,"propafenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCNCC(O)COc1ccccc1C(=O)CCc2ccccc2","JWHAUXFOSRPERK-UHFFFAOYSA-N",4932,TRUE,"PDBC01157",NA,"Absent",NA,NA
+"1158","Propantheline bromide",NA,NA,NA,NA,NA,NA,"propantheline bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propantheline bromide",NA,NA,"CC(C)[N+](C)(CCOC(=O)C1c2ccccc2Oc3ccccc13)C(C)C","XLBIBBZXLMYSFF-UHFFFAOYSA-M",9279,TRUE,"PDBC01158",NA,"Absent",NA,NA
+"1159","Proparacaine",NA,NA,NA,NA,NA,NA,"proxymetacaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCOc1ccc(cc1N)C(=O)OCCN(CC)CC","BFUUJUGQJUTPAF-UHFFFAOYSA-N",22169,NA,"PDBC01159",NA,"Absent",NA,NA
+"1160","Propofol",NA,NA,NA,NA,NA,NA,"propofol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propofol",NA,NA,"CC(C)c1cccc(C(C)C)c1O","OLBCVFGFOZPWHH-UHFFFAOYSA-N",4943,TRUE,"PDBC01160",NA,"Absent",NA,NA
+"1161","Propoxycaine",NA,NA,NA,NA,NA,NA,"propoxycaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"propoxycaine","CCCOc1cc(N)ccc1C(=O)OCCN(CC)CC","CAJIGINSTLKQMM-UHFFFAOYSA-N",6843,TRUE,"PDBC01161",NA,"Present",NA,NA
+"1162","Propranolol",NA,NA,NA,NA,NA,NA,"propranolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"propranolol","CC(C)NCC(O)COc1cccc2ccccc12","AQHHHDLHHXJYJD-UHFFFAOYSA-N",4946,TRUE,"PDBC01162",NA,"Present",NA,NA
+"1163","Propylthiouracil",NA,NA,NA,NA,NA,NA,"propylthiouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCc1cc(=O)[nH]c(=S)[nH]1","KNAHARQHSZJURB-UHFFFAOYSA-N",657298,TRUE,"PDBC01163",NA,"Absent",NA,NA
+"1164","Proscillaridin",NA,NA,NA,NA,NA,NA,"proscillaridin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1O[C@@H](O[C@H]2CC[C@]3(C)C4CC[C@]5(C)[C@H](CC[C@]5(O)C4CCC3=C2)c6ccc(=O)oc6)C(O)[C@@H](O)[C@H]1O","MYEJFUXQJGHEQK-ALRJYLEOSA-N",5284613,NA,"PDBC01164",NA,"Absent",NA,NA
+"1165","Alprostadil",NA,NA,NA,NA,NA,NA,"alprostadil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O","GMVPRGQOIOIIMI-DWKJAMRDSA-N",5280723,TRUE,"PDBC01165",NA,"Absent",NA,NA
+"1166","Protriptyline",NA,NA,NA,NA,NA,NA,"protriptyline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNCCCC1c2ccccc2C=Cc3ccccc13","BWPIARFWQZKAIA-UHFFFAOYSA-N",4976,TRUE,"PDBC01166",NA,"Absent",NA,NA
+"1167","Proxyphylline",NA,NA,NA,NA,NA,NA,"proxyphylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12","KYHQZNGJUGFTGR-UHFFFAOYSA-N",4977,NA,"PDBC01167",NA,"Absent",NA,NA
+"1168","Pyrantel",NA,NA,NA,NA,NA,NA,"pyrantel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCCN=C1/C=C/c2cccs2","YSAUAVHXTIETRK-AATRIKPKSA-N",708857,NA,"PDBC01168",NA,"Absent",NA,NA
+"1169","Pyrazinamide",NA,NA,NA,NA,NA,NA,"pyrazinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazinamide",NA,NA,"NC(=O)c1cnccn1","IPEHBUMCGVEMRF-UHFFFAOYSA-N",1046,TRUE,"PDBC01169",NA,"Absent",NA,NA
+"1170","Pyridoxine",NA,NA,NA,NA,NA,NA,"pyridoxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ncc(CO)c(CO)c1O","LXNHXLLTXMVWPM-UHFFFAOYSA-N",1054,TRUE,"PDBC01170",NA,"Absent",NA,NA
+"1171","Pyrilamine",NA,NA,NA,NA,NA,NA,"mepyramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(CN(CCN(C)C)c2ccccn2)cc1","YECBIJXISLIIDS-UHFFFAOYSA-N",4992,NA,"PDBC01171",NA,"Absent",NA,NA
+"1172","Pyrithyldione",NA,NA,NA,NA,NA,NA,"pyrithyldione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC1(CC)C(=O)NC=CC1=O","NZASCBIBXNPDMH-UHFFFAOYSA-N",4994,NA,"PDBC01172",NA,"Absent",NA,NA
+"1173","Quinacrine",NA,NA,NA,NA,NA,NA,"mepacrine",NA,NA,NA,NA,NA,"Quinacrine (Acrichine)",NA,NA,NA,NA,NA,"Quinacrine dihydrochloride dihydrate",NA,NA,"CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13","GPKJTRJOBQGKQK-UHFFFAOYSA-N",237,NA,"PDBC01173",NA,"Absent",NA,NA
+"1174","Quinethazone",NA,NA,NA,NA,NA,NA,"quinethazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quinethazone","CCC1NC(=O)c2cc(c(Cl)cc2N1)S(=O)(=O)N","AGMMTXLNIQSRCG-UHFFFAOYSA-N",6307,TRUE,"PDBC01174",NA,"Present",NA,NA
+"1175","Quinidine",NA,NA,NA,NA,NA,NA,"quinidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quinidine","COc1ccc2nccc(C(O)[C@H]3CC4CC[C@@H]3CC4C=C)c2c1","LOUPRKONTZGTKE-LHHVKLHASA-N",441074,TRUE,"PDBC01175",NA,"Present",NA,NA
+"1176","Racecadotril",NA,NA,NA,NA,NA,NA,"racecadotril",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"racecadotril","CC(=O)SCC(Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2","ODUOJXZPIYUATO-UHFFFAOYSA-N",107751,NA,"PDBC01176",NA,"Present",NA,NA
+"1177","Ramipril",NA,NA,NA,NA,NA,NA,"ramipril",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2[C@@H](C[C@H]3CCC[C@H]32)C(=O)O","HDACQVRGBOVJII-JBDAPHQKSA-N",5362129,TRUE,"PDBC01177",NA,"Absent",NA,NA
+"1178","Ranitidine",NA,NA,NA,NA,NA,NA,"ranitidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ranitidine","CN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(CN(C)C)o1","VMXUWOKSQNHOCA-UKTHLTGXSA-N",3001055,TRUE,"PDBC01178",NA,"Present",NA,NA
+"1179","Remoxipride",NA,NA,NA,NA,NA,NA,"remoxipride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Remoxipride Hydrochloride",NA,"remoxipride","CCN1CCC[C@H]1CNC(=O)c2c(OC)ccc(Br)c2OC","GUJRSXAPGDDABA-NSHDSACASA-N",54477,NA,"PDBC01179",NA,"Present",NA,NA
+"1180","Repaglinide",NA,NA,NA,NA,NA,NA,"repaglinide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"repaglinide","CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(=O)O","FAEKWTJYAYMJKF-QHCPKHFHSA-N",65981,TRUE,"PDBC01180",NA,"Present",NA,NA
+"1181","Rescinnamine",NA,NA,NA,NA,NA,NA,"rescinnamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rozex",NA,"CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)/C=C/c6cc(OC)c(OC)c(OC)c6","SZLZWPPUNLXJEA-QEGASFHISA-N",5280954,TRUE,"PDBC01181","15628","Present",NA,NA
+"1182","Reserpine",NA,NA,NA,NA,NA,NA,"reserpine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"r-e-s",NA,"CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c6cc(OC)c(OC)c(OC)c6","QEVHRUUCFGRFIF-MDEJGZGSSA-N",5770,TRUE,"PDBC01182","59272","Present",NA,NA
+"1183","Ribavirin",NA,NA,NA,"Ribavirin",NA,NA,"ribavirin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"M15","Ribavirin","ribavirin","NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O","IWUCXVSUMQZMFG-AFCXAGJDSA-N",37542,TRUE,"PDBC01183","163039","Present",NA,NA
+"1184","Riboflavin",NA,NA,NA,NA,NA,NA,"riboflavin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"riboflavin","Cc1cc2nc3c(=O)[nH]c(=O)nc3n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2cc1C","AUNGANRZJHBGPY-SCRDCRAPSA-N",493570,TRUE,"PDBC01184",NA,"Present",NA,NA
+"1185","Rifabutin",NA,NA,NA,NA,NA,NA,"rifabutin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(C)N1CCC2(CC1)NC3=C4NC(=O)/C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)/C=C/O[C@@]5(C)Oc6c(C5=O)c(C3=N2)c(C4=O)c(O)c6C)/C","ATEBXHFBFRCZMA-VXTBVIBXSA-N",6323490,TRUE,"PDBC01185",NA,"Absent",NA,NA
+"1186","Rifampicin",NA,NA,NA,NA,NA,NA,"rifampicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rifa","rifampin","CO[C@H]1C=CO[C@@]2(C)Oc3c(C2=O)c4c(O)c(C=NN5CCN(C)CC5)c(NC(=O)C(=CC=CC(C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(=O)C)[C@@H]1C)C)c(O)c4c(O)c3C","FZYOVNIOYYPUPY-AMSHPFMVSA-N",25141428,NA,"PDBC01186","113926","Present",NA,NA
+"1187","Rilmenidine",NA,NA,NA,NA,NA,NA,"rilmenidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rilmenidine",NA,"C1CC1C(NC2=NCCO2)C3CC3","CQXADFVORZEARL-UHFFFAOYSA-N",68712,NA,"PDBC01187","664312","Present",NA,NA
+"1188","Riluzole",NA,NA,NA,NA,NA,NA,"riluzole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"riluzole","Nc1nc2ccc(OC(F)(F)F)cc2s1","FTALBRSUTCGOEG-UHFFFAOYSA-N",5070,TRUE,"PDBC01188",NA,"Present",NA,NA
+"1189","Rimexolone",NA,NA,NA,NA,NA,NA,"rimexolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rimexolone","CCC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C","QTTRZHGPGKRAFB-SNLFSWRFSA-N",49868107,TRUE,"PDBC01189",NA,"Present",NA,NA
+"1190","Yutopar",NA,NA,NA,NA,NA,NA,"ritodrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ritodrine","CC(CC(O)c1ccc(O)cc1)NCc2ccc(O)cc2","IOVGROKTTNBUGK-SJCJKPOMSA-N",33572,TRUE,"PDBC01190",NA,"Present",NA,NA
+"1191","Rolipram",NA,NA,NA,NA,NA,NA,"rolipram",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(cc1OC2CCCC2)C3CNC(=O)C3","HJORMJIFDVBMOB-UHFFFAOYSA-N",5092,NA,"PDBC01191",NA,"Absent",NA,NA
+"1192","Rolitetracycline",NA,NA,NA,NA,NA,NA,"rolitetracycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)[C@H]1C2CC3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCN4CCCC4)C(=O)c5c(O)cccc5[C@@]3(C)O","IKQRPFTXKQQLJF-UKTGLLKZSA-N",54679406,NA,"PDBC01192",NA,"Absent",NA,NA
+"1193","Rulide",NA,NA,NA,NA,NA,NA,"roxithromycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@](C)(O)C[C@@H](C)C(=NOCOCCOC)[C@H](C)[C@@H](O)[C@]1(C)O","RXZBMPWDPOLZGW-XMRMVWPWSA-N",6915744,NA,"PDBC01193",NA,"Absent",NA,NA
+"1194","Santonin",NA,NA,NA,NA,NA,NA,"santonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"semenen",NA,"C[C@H]1[C@@H]2CC[C@@]3(C)C=CC(=O)C(=C3[C@H]2OC1=O)C","XJHDMGJURBVLLE-BOCCBSBMSA-N",221071,NA,"PDBC01194","4900","Present",NA,NA
+"1195","Saquinavir",NA,NA,NA,NA,NA,NA,"saquinavir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4","QWAXKHKRTORLEM-UGJKXSETSA-N",441243,TRUE,"PDBC01195",NA,"Absent",NA,NA
+"1196","Selegiline",NA,NA,NA,NA,NA,NA,"selegiline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H](Cc1ccccc1)N(C)CC#C","MEZLKOACVSPNER-GFCCVEGCSA-N",26757,TRUE,"PDBC01196",NA,"Absent",NA,NA
+"1197","Serotonin",NA,NA,NA,NA,NA,NA,"serotonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCc1c[nH]c2ccc(O)cc12","QZAYGJVTTNCVMB-UHFFFAOYSA-N",5202,NA,"PDBC01197",NA,"Absent",NA,NA
+"1198","Sisomicin",NA,NA,NA,NA,NA,NA,"sisomicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN[C@@H]1[C@@H](O)[C@@H](O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CN)[C@@H]2O)OC[C@]1(C)O","URWAJWIAIPFPJE-YFMIWBNJSA-N",36119,NA,"PDBC01198",NA,"Absent",NA,NA
+"1199","Sotalol",NA,NA,NA,NA,NA,NA,"sotalol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)NC[C@H](O)c1ccc(NS(=O)(=O)C)cc1","ZBMZVLHSJCTVON-UHFFFAOYSA-N",5253,TRUE,"PDBC01199",NA,"Absent",NA,NA
+"1200","Spectinomycin",NA,NA,NA,NA,NA,NA,"spectinomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spectinomycin dihydrochloride",NA,NA,"CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O","UNFWWIHTNXNPBV-WXKVUWSESA-N",15541,TRUE,"PDBC01200",NA,"Absent",NA,NA
+"1201","Spiperone",NA,NA,NA,NA,NA,NA,"spiperone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiropitan",NA,"Fc1ccc(cc1)C(=O)CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4","DKGZKTPJOSAWFA-UHFFFAOYSA-N",5265,NA,"PDBC01201","170983","Present",NA,NA
+"1202","Rovamycin",NA,NA,NA,NA,NA,NA,"spiramycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO[C@H]1[C@H](O)CC(=O)O[C@@H](C)CC=CC=C[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@H](C)C[C@H](CC=O)[C@@H]1O[C@@H]3O[C@H](C)[C@@H](O[C@H]4C[C@@](C)(O)[C@H](O)[C@H](C)O4)[C@@H]([C@H]3O)N(C)C","ACTOXUHEUCPTEW-BWHGAVFKSA-N",5284619,NA,"PDBC01202",NA,"Absent",NA,NA
+"1203","Spironolactone",NA,NA,NA,NA,NA,NA,"spironolactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spironolactone","CC(=O)S[C@@H]1CC2=CC(=O)CC[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]54CCC(=O)O5)[C@@H]13","LXMSZDCAJNLERA-ZHYRCANASA-N",5833,TRUE,"PDBC01203",NA,"Present",NA,NA
+"1204","Streptomycin",NA,NA,NA,NA,NA,NA,"streptomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@H]1OC2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]3NC(=N)N)O[C@@H](C)[C@]2(O)C=O","UCSJYZPVAKXKNQ-HZYVHMACSA-N",19649,TRUE,"PDBC01204",NA,"Absent",NA,NA
+"1205","Streptozocin",NA,NA,NA,NA,NA,NA,"streptozocin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STREPTOZOCIN","streptozotocin","CN(N=O)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O","ZSJLQEPLLKMAKR-GKHCUFPYSA-N",29327,TRUE,"PDBC01205","85998","Present",NA,NA
+"1206","Sulconazole",NA,NA,NA,NA,NA,NA,"sulconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sulconazole","Clc1ccc(CSC(Cn2ccnc2)c3ccc(Cl)cc3Cl)cc1","AFNXATANNDIXLG-UHFFFAOYSA-N",5318,TRUE,"PDBC01206",NA,"Present",NA,NA
+"1207","Sulfacetamide",NA,NA,NA,NA,NA,NA,"sulfacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)NS(=O)(=O)c1ccc(N)cc1","SKIVFJLNDNKQPD-UHFFFAOYSA-N",5320,TRUE,"PDBC01207",NA,"Absent",NA,NA
+"1208","Sulfachlorpyridazine",NA,NA,NA,NA,NA,NA,"sulfachlorpyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1ccc(cc1)S(=O)(=O)Nc2cnnc(Cl)c2","XOXHILFPRYWFOD-UHFFFAOYSA-N",6634,NA,"PDBC01208",NA,"Absent",NA,NA
+"1209","Sulfadiazine",NA,NA,NA,NA,NA,NA,"sulfadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1ccc(cc1)S(=O)(=O)Nc2ncccn2","SEEPANYCNGTZFQ-UHFFFAOYSA-N",5215,TRUE,"PDBC01209",NA,"Absent",NA,NA
+"1210","Sulfadimethoxine",NA,NA,NA,NA,NA,NA,"sulfadimethoxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1","ZZORFUFYDOWNEF-UHFFFAOYSA-N",5323,NA,"PDBC01210",NA,"Absent",NA,NA
+"1211","Sulfadoxine",NA,NA,NA,NA,NA,NA,"sulfadoxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC","PJSFRIWCGOHTNF-UHFFFAOYSA-N",17134,TRUE,"PDBC01211",NA,"Absent",NA,NA
+"1212","Sulfaguanidine",NA,NA,NA,NA,NA,NA,"sulfaguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=N)NS(=O)(=O)c1ccc(N)cc1","BRBKOPJOKNSWSG-UHFFFAOYSA-N",5324,NA,"PDBC01212",NA,"Absent",NA,NA
+"1213","Sulfamerazine",NA,NA,NA,NA,NA,NA,"sulfamerazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1","QPPBRPIAZZHUNT-UHFFFAOYSA-N",5325,TRUE,"PDBC01213",NA,"Absent",NA,NA
+"1214","Sulfamethazine",NA,NA,NA,NA,NA,NA,"sulfadimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sulfamethazine","Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1","ASWVTGNCAZCNNR-UHFFFAOYSA-N",5327,NA,"PDBC01214",NA,"Present",NA,NA
+"1215","Sulfamethizole",NA,NA,NA,NA,NA,NA,"sulfamethizole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1","VACCAVUAMIDAGB-UHFFFAOYSA-N",5328,TRUE,"PDBC01215",NA,"Absent",NA,NA
+"1216","Sulfamethoxazole",NA,NA,NA,NA,NA,NA,"sulfamethoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1","JLKIGFTWXXRPMT-UHFFFAOYSA-N",5329,TRUE,"PDBC01216",NA,"Absent",NA,NA
+"1217","Sulfamonomethoxine",NA,NA,NA,NA,NA,NA,"sulfamonomethoxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc(NS(=O)(=O)c2ccc(N)cc2)ncn1","WMPXPUYPYQKQCX-UHFFFAOYSA-N",5332,NA,"PDBC01217",NA,"Absent",NA,NA
+"1218","Sulfanilamide",NA,NA,NA,NA,NA,NA,"sulfanilamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sulfanilamide","Nc1ccc(cc1)S(=O)(=O)N","FDDDEECHVMSUSB-UHFFFAOYSA-N",5333,TRUE,"PDBC01218",NA,"Present",NA,NA
+"1219","Sulfapyridine",NA,NA,NA,NA,NA,NA,"sulfapyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1ccc(cc1)S(=O)(=O)Nc2ccccn2","GECHUMIMRBOMGK-UHFFFAOYSA-N",5336,TRUE,"PDBC01219",NA,"Absent",NA,NA
+"1220","Sulfaquinoxaline",NA,NA,NA,NA,NA,NA,"sulfaquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sulquin",NA,"Nc1ccc(cc1)S(=O)(=O)Nc2cnc3ccccc3n2","NHZLNPMOSADWGC-UHFFFAOYSA-N",5338,NA,"PDBC01220","41805","Present",NA,NA
+"1221","Sulfathiazole",NA,NA,NA,NA,NA,NA,"sulfathiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dulana",NA,"Nc1ccc(cc1)S(=O)(=O)Nc2nccs2","JNMRHUJNCSQMMB-UHFFFAOYSA-N",5340,TRUE,"PDBC01221","31812","Present",NA,NA
+"1222","Sulfinpyrazone",NA,NA,NA,NA,NA,NA,"sulfinpyrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C1C(CCS(=O)c2ccccc2)C(=O)N(N1c3ccccc3)c4ccccc4","MBGGBVCUIVRRBF-UHFFFAOYSA-N",5342,TRUE,"PDBC01222",NA,"Absent",NA,NA
+"1223","Sulfisoxazole",NA,NA,NA,NA,NA,NA,"sulfafurazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C","NHUHCSRWZMLRLA-UHFFFAOYSA-N",5344,NA,"PDBC01223",NA,"Absent",NA,NA
+"1224","Sulmazole",NA,NA,NA,NA,NA,NA,"sulmazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulmazole",NA,"sulmazole","COc1cc(ccc1c2nc3cccnc3[nH]2)S(=O)C","XMFCOYRWYYXZMY-UHFFFAOYSA-N",5353,NA,"PDBC01224",NA,"Present",NA,NA
+"1225","Sulpiride",NA,NA,NA,NA,NA,NA,"sulpiride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N","BGRJTUBHPOOWDU-UHFFFAOYSA-N",5355,NA,"PDBC01225",NA,"Absent",NA,NA
+"1226","Suprofen",NA,NA,NA,NA,NA,NA,"suprofen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C(=O)O)c1ccc(cc1)C(=O)c2cccs2","MDKGKXOCJGEUJW-UHFFFAOYSA-N",5359,TRUE,"PDBC01226",NA,"Absent",NA,NA
+"1227","Suramin sodium",NA,NA,NA,NA,NA,NA,"suramin sodium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc(cc1NC(=O)c2cccc(NC(=O)Nc3cccc(c3)C(=O)Nc4cc(ccc4C)C(=O)Nc5ccc(c6cc(cc(c56)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)c2)C(=O)Nc7ccc(c8cc(cc(c78)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O","VAPNKLKDKUDFHK-UHFFFAOYSA-H",5360,NA,"PDBC01227",NA,"Absent",NA,NA
+"1228","Suxibuzone",NA,NA,NA,NA,NA,NA,"suxibuzone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"suxibuzone","CCCCC1(COC(=O)CCC(=O)O)C(=O)N(N(C1=O)c2ccccc2)c3ccccc3","ONWXNHPOAGOMTG-UHFFFAOYSA-N",5362,NA,"PDBC01228",NA,"Present",NA,NA
+"1229","Tacrine",NA,NA,NA,NA,NA,NA,"tacrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1c2CCCCc2nc3ccccc13","YLJREFDVOIBQDA-UHFFFAOYSA-N",1935,TRUE,"PDBC01229",NA,"Absent",NA,NA
+"1230","Tenoxicam",NA,NA,NA,NA,NA,NA,"tenoxicam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C(=C(O)c2sccc2S1(=O)=O)C(=O)Nc3ccccn3","LZNWYQJJBLGYLT-UHFFFAOYSA-N",54677971,NA,"PDBC01230",NA,"Absent",NA,NA
+"1231","Terazosin",NA,NA,NA,NA,NA,NA,"terazosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc2nc(nc(N)c2cc1OC)N3CCN(CC3)C(=O)[C@H]4CCCO4","VCKUSRYTPJJLNI-UHFFFAOYSA-N",5401,TRUE,"PDBC01231",NA,"Absent",NA,NA
+"1232","Terbutaline",NA,NA,NA,NA,NA,NA,"terbutaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"terbutaline","CC(C)(C)NCC(O)c1cc(O)cc(O)c1","XWTYSIMOBUGWOL-UHFFFAOYSA-N",5403,TRUE,"PDBC01232",NA,"Present",NA,NA
+"1233","Terconazole",NA,NA,NA,NA,NA,NA,"terconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Terconazole","Terconazole","terconazole","CC(C)N1CCN(CC1)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c5ccc(Cl)cc5Cl)cc2","BLSQLHNBWJLIBQ-OZXSUGGESA-N",441383,TRUE,"PDBC01233","331942","Present",NA,NA
+"1234","Terguride",NA,NA,NA,NA,NA,NA,"terguride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)C(=O)N[C@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1","JOAHPSVPXZTVEP-YXJHDRRASA-N",443951,NA,"PDBC01234",NA,"Absent",NA,NA
+"1235","Testosterone",NA,NA,NA,NA,NA,NA,"testosterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1O","MUMGGOZAMZWBJJ-DYKIIFRCSA-N",6013,TRUE,"PDBC01235",NA,"Absent",NA,NA
+"1236","Tetracaine",NA,NA,NA,NA,NA,NA,"tetracaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCNc1ccc(cc1)C(=O)OCCN(C)C","GKCBAIGFKIBETG-UHFFFAOYSA-N",5411,TRUE,"PDBC01236",NA,"Absent",NA,NA
+"1237","Tetracycline",NA,NA,NA,NA,NA,NA,"tetracycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O","NWXMGUDVXFXRIG-WESIUVDSSA-N",54675776,TRUE,"PDBC01237",NA,"Absent",NA,NA
+"1238","Tetrahydrozoline",NA,NA,NA,NA,NA,NA,"tetryzoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrahydrozoline hydrochloride",NA,NA,"C1CN=C(N1)C2CCCc3ccccc23","BJORNXNYWNIWEY-UHFFFAOYSA-N",10648,NA,"PDBC01238",NA,"Absent",NA,NA
+"1239","Theobromine",NA,NA,NA,NA,NA,NA,"theobromine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cn1cnc2n(C)c(=O)[nH]c(=O)c12","YAPQBXQYLJRXSA-UHFFFAOYSA-N",5429,NA,"PDBC01239",NA,"Absent",NA,NA
+"1240","Thiabendazole",NA,NA,NA,NA,NA,NA,"tiabendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tecto",NA,"c1nc(cs1)c2nc3ccccc3[nH]2","WJCNZQLZVWNLKY-UHFFFAOYSA-N",5430,NA,"PDBC01240","525040///90507","Present",NA,NA
+"1241","Thiamphenicol",NA,NA,NA,NA,NA,NA,"thiamphenicol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl","OTVAEFIXJLOWRX-NXEZZACHSA-N",27200,NA,"PDBC01241",NA,"Absent",NA,NA
+"1242","Thiethylperazine",NA,NA,NA,NA,NA,NA,"thiethylperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCSc1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1","XCTYLCDETUVOIP-UHFFFAOYSA-N",5440,TRUE,"PDBC01242",NA,"Absent",NA,NA
+"1243","Thiostrepton",NA,NA,NA,NA,NA,NA,"thiostrepton",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiostrepton","thiostrepton (usan)","thiostrepton","CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)C(=CC)NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C","NSFFHOGKXHRQEW-DVRIZHICSA-N",16129666,NA,"PDBC01243","759821","Present",NA,NA
+"1244","Thonzonium bromide",NA,NA,NA,NA,NA,NA,"tonzonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thonzide",NA,"CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c2ncccn2","WBWDWFZTSDZAIG-UHFFFAOYSA-M",11102,NA,"PDBC01244","5648///760359","Present",NA,NA
+"1245","Tiapride",NA,NA,NA,NA,NA,NA,"tiapride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C","JTVPZMFULRWINT-UHFFFAOYSA-N",5467,NA,"PDBC01245",NA,"Absent",NA,NA
+"1246","Ticarcillin",NA,NA,NA,NA,NA,NA,"ticarcillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(=O)O)c3ccsc3)C(=O)N2[C@H]1C(=O)O","OHKOGUYZJXTSFX-KZFFXBSXSA-N",36921,TRUE,"PDBC01246",NA,"Absent",NA,NA
+"1247","Ticlopidine",NA,NA,NA,NA,NA,NA,"ticlopidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccccc1CN2CCc3sccc3C2","PHWBOXQYWZNQIN-UHFFFAOYSA-N",5472,TRUE,"PDBC01247",NA,"Absent",NA,NA
+"1248","Timolol",NA,NA,NA,NA,NA,NA,"timolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)NC[C@@H](O)COc1nsnc1N2CCOCC2","BLJRIMJGRPQVNF-JTQLQIEISA-N",33624,TRUE,"PDBC01248",NA,"Absent",NA,NA
+"1249","Tinidazole",NA,NA,NA,NA,NA,NA,"tinidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tinidazole",NA,NA,"CCS(=O)(=O)CCn1c(C)ncc1[N+](=O)[O-]","HJLSLZFTEKNLFI-UHFFFAOYSA-N",5479,TRUE,"PDBC01249",NA,"Absent",NA,NA
+"1250","Tiratricol",NA,NA,NA,NA,NA,NA,"tiratricol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1","UOWZUVNAGUAEQC-UHFFFAOYSA-N",5803,NA,"PDBC01250",NA,"Absent",NA,NA
+"1251","Tobramycin",NA,NA,NA,NA,NA,NA,"tobramycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCC1O[C@@H](O[C@@H]2[C@H](N)C[C@@H](N)C(O[C@H]3OC(CO)[C@@H](O)[C@@H](N)[C@H]3O)C2O)[C@H](N)C[C@@H]1O","NLVFBUXFDBBNBW-PBSUHMDJSA-N",36294,TRUE,"PDBC01251",NA,"Absent",NA,NA
+"1252","Todralazine",NA,NA,NA,NA,NA,NA,"todralazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)NNc1nncc2ccccc12","WGZDBVOTUVNQFP-UHFFFAOYSA-N",5501,NA,"PDBC01252",NA,"Absent",NA,NA
+"1253","Tolazamide",NA,NA,NA,NA,NA,NA,"tolazamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2CCCCCC2","OUDSBRTVNLOZBN-UHFFFAOYSA-N",5503,TRUE,"PDBC01253",NA,"Absent",NA,NA
+"1254","Tolazoline",NA,NA,NA,NA,NA,NA,"tolazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(C1=NCCN1)c2ccccc2","JIVZKJJQOZQXQB-UHFFFAOYSA-N",5504,TRUE,"PDBC01254",NA,"Absent",NA,NA
+"1255","Tolfenamic acid",NA,NA,NA,NA,NA,NA,"tolfenamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(Nc2ccccc2C(=O)O)ccc1Cl","YEZNLOUZAIOMLT-UHFFFAOYSA-N",610479,NA,"PDBC01255",NA,"Absent",NA,NA
+"1256","Tolmetin",NA,NA,NA,NA,NA,NA,"tolmetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc(cc1)C(=O)c2ccc(CC(=O)O)n2C","UPSPUYADGBWSHF-UHFFFAOYSA-N",5509,TRUE,"PDBC01256",NA,"Absent",NA,NA
+"1257","Tolnaftate",NA,NA,NA,NA,NA,NA,"tolnaftate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C(=S)Oc1ccc2ccccc2c1)c3cccc(C)c3","FUSNMLFNXJSCDI-UHFFFAOYSA-N",5510,NA,"PDBC01257",NA,"Absent",NA,NA
+"1258","Topiramate",NA,NA,NA,NA,NA,NA,"topiramate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)OC2CO[C@@]3(COS(=O)(=O)N)OC(C)(C)O[C@@H]3C2O1","KJADKKWYZYXHBB-XBWDGYHZSA-N",5284627,TRUE,"PDBC01258",NA,"Absent",NA,NA
+"1259","Torsemide",NA,NA,NA,NA,NA,NA,"torasemide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"torasemide","CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc2cccc(C)c2","NGBFQHCMQULJNZ-UHFFFAOYSA-N",41781,NA,"PDBC01259",NA,"Present",NA,NA
+"1260","Tranexamic acid",NA,NA,NA,NA,NA,NA,"tranexamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC[C@H]1CC[C@@H](CC1)C(=O)O","GYDJEQRTZSCIOI-UHFFFAOYSA-N",1549136,TRUE,"PDBC01260",NA,"Absent",NA,NA
+"1261","Parnate",NA,NA,NA,NA,NA,NA,"tranylcypromine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC1C[C@H]1c2ccccc2","AELCINSCMGFISI-DTWKUNHWSA-N",19493,TRUE,"PDBC01261",NA,"Absent",NA,NA
+"1262","Trazodone",NA,NA,NA,NA,NA,NA,"trazodone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1cccc(c1)N2CCN(CCCn3nc4ccccn4c3=O)CC2","PHLBKPHSAVXXEF-UHFFFAOYSA-N",5533,TRUE,"PDBC01262",NA,"Absent",NA,NA
+"1263","Triamcinolone",NA,NA,NA,NA,NA,NA,"triamcinolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triamcinolone","triamcinolone","C[C@@]12C[C@H](O)[C@@]3(F)C(CCC4=CC(=O)C=C[C@@]43C)C2C[C@@H](O)[C@]1(O)C(=O)CO","GFNANZIMVAIWHM-OBYCQNJPSA-N",31307,TRUE,"PDBC01263","13397","Present",NA,NA
+"1264","Triamterene",NA,NA,NA,NA,NA,NA,"triamterene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triamterene","Nc1nc(N)c2nc(c(N)nc2n1)c3ccccc3","FNYLWPVRPXGIIP-UHFFFAOYSA-N",5546,TRUE,"PDBC01264",NA,"Present",NA,NA
+"1265","Trichlorfon",NA,NA,NA,NA,NA,NA,"metrifonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COP(=O)(OC)C(O)C(Cl)(Cl)Cl","NFACJZMKEDPNKN-UHFFFAOYSA-N",5853,NA,"PDBC01265",NA,"Absent",NA,NA
+"1266","Trichlormethiazide",NA,NA,NA,NA,NA,NA,"trichlormethiazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl","LMJSLTNSBFUCMU-UHFFFAOYSA-N",5560,TRUE,"PDBC01266",NA,"Absent",NA,NA
+"1267","Tridihexethyl",NA,NA,NA,NA,NA,NA,"tridihexethyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c2ccccc2","NPRHVSBSZMAEIN-UHFFFAOYSA-N",20299,TRUE,"PDBC01267",NA,"Absent",NA,NA
+"1268","Triflupromazine",NA,NA,NA,NA,NA,NA,"triflupromazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triflupromazine hydrochloride",NA,NA,"CN(C)CCCN1c2ccccc2Sc3ccc(cc13)C(F)(F)F","XSCGXQMFQXDFCW-UHFFFAOYSA-N",5568,TRUE,"PDBC01268",NA,"Absent",NA,NA
+"1269","Trifluridine",NA,NA,NA,NA,NA,NA,"trifluridine",NA,NA,NA,NA,NA,NA,"Trifluorothymidine",NA,NA,NA,NA,NA,NA,"trifluridine","OC[C@H]1OC(C[C@@H]1O)n2cc(c(=O)[nH]c2=O)C(F)(F)F","VSQQQLOSPVPRAZ-RRKCRQDMSA-N",6256,TRUE,"PDBC01269",NA,"Present",NA,NA
+"1270","Trimeprazine",NA,NA,NA,NA,NA,NA,"alimemazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(CN(C)C)CN1c2ccccc2Sc3ccccc13","ZZHLYYDVIOPZBE-UHFFFAOYSA-N",5574,NA,"PDBC01270",NA,"Absent",NA,NA
+"1271","Trimetazidine",NA,NA,NA,NA,NA,NA,"trimetazidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(CN2CCNCC2)c(OC)c1OC","UHWVSEOVJBQKBE-UHFFFAOYSA-N",21109,NA,"PDBC01271",NA,"Absent",NA,NA
+"1272","Trimethadione",NA,NA,NA,NA,NA,NA,"trimethadione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C(=O)OC(C)(C)C1=O","IRYJRGCIQBGHIV-UHFFFAOYSA-N",5576,TRUE,"PDBC01272",NA,"Absent",NA,NA
+"1273","Trimethobenzamide",NA,NA,NA,NA,NA,NA,"trimethobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc(cc(OC)c1OC)C(=O)NCc2ccc(OCCN(C)C)cc2","FEZBIKUBAYAZIU-UHFFFAOYSA-N",5577,TRUE,"PDBC01273",NA,"Absent",NA,NA
+"1274","Trimethoprim",NA,NA,NA,NA,NA,NA,"trimethoprim",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC","IEDVJHCEMCRBQM-UHFFFAOYSA-N",5578,TRUE,"PDBC01274",NA,"Absent",NA,NA
+"1275","Trimipramine",NA,NA,NA,NA,NA,NA,"trimipramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(CN(C)C)CN1c2ccccc2CCc3ccccc13","ZSCDBOWYZJWBIY-UHFFFAOYSA-N",5584,TRUE,"PDBC01275",NA,"Absent",NA,NA
+"1276","Trioxsalen",NA,NA,NA,NA,NA,NA,"trioxysalen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lactone",NA,"Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1","FMHHVULEAZTJMA-UHFFFAOYSA-N",5585,NA,"PDBC01276","71047","Present",NA,NA
+"1277","Triprolidine",NA,NA,NA,NA,NA,NA,"triprolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc(cc1)/C(=C\CN2CCCC2)/c3ccccn3","CBEQULMOCCWAQT-WOJGMQOQSA-N",5282443,TRUE,"PDBC01277",NA,"Absent",NA,NA
+"1278","Troleandomycin",NA,NA,NA,NA,NA,NA,"troleandomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3OC(=O)C)N(C)C)[C@@H](C)C[C@@]4(CO4)C(=O)[C@H](C)[C@@H](OC(=O)C)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(=O)C","LQCLVBQBTUVCEQ-QTFUVMRISA-N",202225,TRUE,"PDBC01278",NA,"Absent",NA,NA
+"1279","Tropicamide",NA,NA,NA,NA,NA,NA,"tropicamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(Cc1ccncc1)C(=O)C(CO)c2ccccc2","BGDKAVGWHJFAGW-UHFFFAOYSA-N",5593,TRUE,"PDBC01279",NA,"Absent",NA,NA
+"1280","Ursodeoxycholic acid",NA,NA,NA,NA,NA,NA,"ursodeoxycholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ursodeoxycholic acid",NA,"C[C@H](CCC(=O)O)[C@H]1CCC2C3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)C3CC[C@]12C","RUDATBOHQWOJDD-UZVSRGJWSA-N",31401,NA,"PDBC01280","657950","Present",NA,NA
+"1281","Vancomycin",NA,NA,NA,NA,NA,NA,"vancomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN[C@H](CC(C)C)C(=O)N[C@@H]1[C@H](O)c2ccc(Oc3cc4cc(Oc5ccc(cc5Cl)[C@@H](O)[C@H]5NC(=O)[C@@H](NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC1=O)c1ccc(O)c(c1)-c1c(O)cc(O)cc1[C@H](NC5=O)C(O)=O)c3O[C@@H]1OC(CO)[C@@H](O)[C@H](O)[C@H]1O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)c(Cl)c2","MYPYJXKWCTUITO-LYRMYLQWSA-N",14969,TRUE,"PDBC01281",NA,"Absent",NA,NA
+"1282","Vidarabine",NA,NA,NA,NA,NA,NA,"vidarabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vidarabine","Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O","OIRDTQYFTABQOQ-UHTZMRCNSA-N",21704,TRUE,"PDBC01282",NA,"Present",NA,NA
+"1283","Vigabatrin",NA,NA,NA,NA,NA,NA,"vigabatrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N[C@@H](CCC(=O)O)C=C","PJDFLNIOAUIZSL-UHFFFAOYSA-N",25202592,TRUE,"PDBC01283",NA,"Absent",NA,NA
+"1284","Vincamine",NA,NA,NA,NA,NA,NA,"vincamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vincamine","CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O","RXPRRQLKFXBCSJ-GIVPXCGWSA-N",15376,NA,"PDBC01284",NA,"Present",NA,NA
+"1285","Vinpocetine",NA,NA,NA,NA,NA,NA,"vinpocetine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@@H]32)n1c5ccccc45","DDNCQMVWWZOMLN-IRLDBZIGSA-N",443955,NA,"PDBC01285",NA,"Absent",NA,NA
+"1286","Celiomycin",NA,NA,NA,NA,NA,NA,"viomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCCC(N)CC(=O)NC1CNC(=O)C(NC(=O)/C(=C/NC(=O)N)/NC(=O)C(CO)NC(=O)C(CO)NC1=O)C2CC(O)N=C(N)N2","GXFAIFRPOKBQRV-GHXCTMGLSA-N",3037981,TRUE,"PDBC01286",NA,"Absent",NA,NA
+"1287","Cholecalciferol",NA,NA,NA,NA,NA,NA,"colecalciferol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cholecalciferol","cholecalciferol","CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2/C(=C/C=C\3/C[C@H](O)CCC3=C)/CCC[C@]12C","QYSXJUFSXHHAJI-YRZJJWOYSA-N",5280795,NA,"PDBC01287","375571","Present",NA,NA
+"1288","Ergocalciferol",NA,NA,NA,NA,NA,NA,"ergocalciferol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)[C@@H](C)/C=C/[C@@H](C)C1CC[C@H]2\C(=C\C=C/3\C[C@@H](O)CCC3=C)\CCC[C@]12C","MECHNRXZTMCUDQ-RKHKHRCZSA-N",5280793,TRUE,"PDBC01288",NA,"Absent",NA,NA
+"1289","Xylazine",NA,NA,NA,NA,NA,NA,"xylazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"xylazine","Cc1cccc(C)c1NC2=NCCCS2","BPICBUSOMSTKRF-UHFFFAOYSA-N",5707,NA,"PDBC01289",NA,"Present",NA,NA
+"1290","Zalcitabine",NA,NA,NA,NA,NA,NA,"zalcitabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zalcitabine",NA,"Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1","WREGKURFCTUGRC-POYBYMJQSA-N",24066,TRUE,"PDBC01290","606170","Present",NA,NA
+"1291","Zaprinast",NA,NA,NA,NA,NA,NA,"zaprinast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCOc1ccccc1c2nc3[nH]nnc3c(=O)[nH]2","REZGGXNDEMKIQB-UHFFFAOYSA-N",5722,NA,"PDBC01291",NA,"Absent",NA,NA
+"1292","Zidovudine",NA,NA,NA,NA,NA,NA,"zidovudine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O","HBOMLICNUCNMMY-XLPZGREQSA-N",35370,TRUE,"PDBC01292",NA,"Absent",NA,NA
+"1293","Zimeldine",NA,NA,NA,NA,NA,NA,"zimeldine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)C/C=C(/c1ccc(Br)cc1)\c2cccnc2","OYPPVKRFBIWMSX-SXGWCWSVSA-N",5365247,NA,"PDBC01293",NA,"Absent",NA,NA
+"1294","H-7",NA,NA,NA,NA,NA,NA,"H-7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H-7 dihydrochloride",NA,NA,"CC1CNCCN1S(=O)(=O)c2cccc3cnccc23","BDVFVCGFMNCYPV-UHFFFAOYSA-N",3542,NA,"PDBC01294",NA,"Absent",NA,NA
+"1295","tyrphostin AG-825",NA,NA,NA,NA,NA,NA,"tyrphostin AG-825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc(/C=C(\C#N)/C(=O)N)cc(CSc2nc3ccccc3s2)c1O","KXDONFLNGBQLTN-WUXMJOGZSA-N",6091659,NA,"PDBC01295",NA,"Absent",NA,NA
+"1296","Apigenin",NA,NA,NA,NA,NA,NA,"apigenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chamomile",NA,"Oc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2","KZNIFHPLKGYRTM-UHFFFAOYSA-N",5280443,NA,"PDBC01296","83244","Present",NA,NA
+"1297","Apramycin",NA,NA,NA,NA,NA,NA,"apramycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN[C@H]1[C@@H](O)[C@H]2O[C@H](O[C@@H]3[C@@H](N)C[C@@H](N)[C@H](O)[C@H]3O)[C@H](N)C[C@@H]2O[C@@H]1O[C@@]4(C)O[C@H](CO)[C@@H](N)[C@H](O)[C@H]4O","XZNUGFQTQHRASN-XQENGBIVSA-N",3081545,NA,"PDBC01297",NA,"Absent",NA,NA
+"1298","Artemisinin",NA,NA,NA,NA,NA,NA,"artemisinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"artemisinin","C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4","BLUAFEHZUWYNDE-NNWCWBAJSA-N",68827,NA,"PDBC01298",NA,"Present",NA,NA
+"1299","Betazole",NA,NA,NA,NA,NA,NA,"betazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCc1cc[nH]n1","JXDFEQONERDKSS-UHFFFAOYSA-N",7741,TRUE,"PDBC01299",NA,"Absent",NA,NA
+"1300","Caffeic acid",NA,NA,NA,NA,NA,NA,"caffeic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caffeic acid","caffeic-acid","OC(=O)/C=C/c1ccc(O)c(O)c1","QAIPRVGONGVQAS-DUXPYHPUSA-N",689043,NA,"PDBC01300","57197","Present",NA,NA
+"1301","Chlorogenic acid",NA,NA,NA,NA,NA,NA,"chlorogenic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chlorogenic-acid","O[C@@H]1C[C@](O)(C[C@@H](OC(=O)/C=C/c2ccc(O)c(O)c2)[C@@H]1O)C(=O)O","CWVRJTMFETXNAD-JUHZACGLSA-N",1794427,NA,"PDBC01301",NA,"Present",NA,NA
+"1302","Taractan",NA,NA,NA,NA,NA,NA,"chlorprothixene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorprothixene hydrochloride",NA,NA,"CN(C)CC/C=C/1\c2ccccc2Sc3ccc(Cl)cc13","WSPOMRSOLSGNFJ-AUWJEWJLSA-N",667467,TRUE,"PDBC01302",NA,"Absent",NA,NA
+"1303","Chrysin",NA,NA,NA,NA,NA,NA,"chrysin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chrysin",NA,"Oc1cc(O)c2c(=O)cc(oc2c1)c3ccccc3","RTIXKCRFFJGDFG-UHFFFAOYSA-N",5281607,NA,"PDBC01303","407436","Present",NA,NA
+"1304","Cinchonine",NA,NA,NA,NA,NA,NA,"cinchonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cinchonine",NA,"O[C@@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34","KMPWYEUPVWOPIM-QAMTZSDWSA-N",90454,NA,"PDBC01304","6176","Present",NA,NA
+"1305","Citiolone",NA,NA,NA,NA,NA,NA,"citiolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)NC1SCCC1=O","NRFJZTXWLKPZAV-UHFFFAOYSA-N",14520,NA,"PDBC01305",NA,"Absent",NA,NA
+"1306","Corticosterone",NA,NA,NA,NA,NA,NA,"corticosterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@H]1C(=O)CO","OMFXVFTZEKFJBZ-HJTSIMOOSA-N",5753,NA,"PDBC01306",NA,"Absent",NA,NA
+"1307","Galantamine",NA,NA,NA,NA,NA,NA,"galantamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2CN(C)CC[C@]34C=C[C@H](O)C[C@@H]4Oc1c23","ASUTZQLVASHGKV-JDFRZJQESA-N",9651,TRUE,"PDBC01307",NA,"Absent",NA,NA
+"1308","L-Cycloserine",NA,NA,NA,NA,NA,NA,"levcycloserine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N[C@@H]1CONC1=O","DYDCUQKUCUHJBH-REOHCLBHSA-N",449215,NA,"PDBC01308",NA,"Absent",NA,NA
+"1309","Lactobionic acid",NA,NA,NA,NA,NA,NA,"lactobionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)C(=O)O","JYTUSYBCFIZPBE-AMTLMPIISA-N",7314,NA,"PDBC01309",NA,"Absent",NA,NA
+"1310","Mefexamide",NA,NA,NA,NA,NA,NA,"mefexamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mefexamide","CCN(CC)CCNC(=O)COc1ccc(OC)cc1","HUNIPYLVUPMFCZ-UHFFFAOYSA-N",4045,NA,"PDBC01310",NA,"Present",NA,NA
+"1311","Meglumine",NA,NA,NA,NA,NA,NA,"meglumine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNCC(O)C(O)C(O)C(O)CO","MBBZMMPHUWSWHV-BDVNFPICSA-N",8567,NA,"PDBC01311",NA,"Absent",NA,NA
+"1312","Miconazole",NA,NA,NA,NA,NA,NA,"miconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC169434///NSC757119///Miconazole",NA,"C1=CC(=C(C=C1Cl)Cl)COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl","BYBLEWFAAKGYCD-UHFFFAOYSA-N",4189,TRUE,"PDBC01312","169434///757119///170986","Present",NA,NA
+"1313","N-Acetyl-L-leucine",NA,NA,NA,NA,NA,NA,"N-acetyl-L-leucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)C[C@H](NC(=O)C)C(=O)O","WXNXCEHXYPACJF-ZETCQYMHSA-N",70912,NA,"PDBC01313",NA,"Absent",NA,NA
+"1314","Nisoxetine",NA,NA,NA,NA,NA,NA,"nisoxetine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nisoxetine","CNCCC(Oc1ccccc1OC)c2ccccc2","ITJNARMNRKSWTA-UHFFFAOYSA-N",4500,NA,"PDBC01314",NA,"Present",NA,NA
+"1315","Ozagrel",NA,NA,NA,NA,NA,NA,"ozagrel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)/C=C/c1ccc(Cn2ccnc2)cc1","SHZKQBHERIJWAO-AATRIKPKSA-N",5282440,NA,"PDBC01315",NA,"Absent",NA,NA
+"1316","Propidium iodide",NA,NA,NA,NA,NA,NA,"propidium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[N+](C)(CC)CCC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14","XJMOSONTPMZWPB-UHFFFAOYSA-M",104981,NA,"PDBC01316",NA,"Absent",NA,NA
+"1317","Rottlerin",NA,NA,NA,NA,NA,NA,"rottlerin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rottlerin",NA,"CC(=O)c1c(O)c(C)c(O)c(Cc2c(O)c(C(=O)/C=C/c3ccccc3)c4OC(C)(C)C=Cc4c2O)c1O","DEZFNHCVIZBHBI-ZHACJKMWSA-N",5281847,NA,"PDBC01317","94525","Present",NA,NA
+"1318","SB-202190",NA,NA,NA,NA,NA,NA,"SB-202190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-202190",NA,"Oc1ccc(cc1)c2nc(c([nH]2)c3ccncc3)c4ccc(F)cc4","NJNKPVPFGLGHPA-UHFFFAOYSA-N",5353940,NA,"PDBC01318","789969","Present",NA,NA
+"1319","SB-203580",NA,NA,NA,NA,NA,NA,"SB-203580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-203580",NA,"CS(=O)c1ccc(cc1)c2nc(c([nH]2)c3ccncc3)c4ccc(F)cc4","CDMGBJANTYXAIV-UHFFFAOYSA-N",176155,NA,"PDBC01319","755772","Present",NA,NA
+"1320","Sulfameter",NA,NA,NA,NA,NA,NA,"sulfametoxydiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cnc(NS(=O)(=O)c2ccc(N)cc2)nc1","GPTONYMQFTZPKC-UHFFFAOYSA-N",5326,NA,"PDBC01320",NA,"Absent",NA,NA
+"1321","Sulfaphenazole",NA,NA,NA,NA,NA,NA,"sulfaphenazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1ccc(cc1)S(=O)(=O)Nc2ccnn2c3ccccc3","QWCJHSGMANYXCW-UHFFFAOYSA-N",5335,TRUE,"PDBC01321",NA,"Absent",NA,NA
+"1322","Tocainide",NA,NA,NA,NA,NA,NA,"tocainide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(N)C(=O)Nc1c(C)cccc1C","BUJAGSGYPOAWEI-UHFFFAOYSA-N",38945,TRUE,"PDBC01322",NA,"Absent",NA,NA
+"1323","Vanoxerine",NA,NA,NA,NA,NA,NA,"vanoxerine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GBR 12909 dihydrochloride",NA,"vanoxerine","Fc1ccc(cc1)C(OCCN2CCN(CCCc3ccccc3)CC2)c4ccc(F)cc4","MIBSKSYCRFWIRU-UHFFFAOYSA-N",104920,NA,"PDBC01323",NA,"Present",NA,NA
+"1324","quinostatin",NA,NA,NA,NA,NA,NA,"quinostatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCc1ccc(cc1)C(=O)c2cnc3cc4OCCOc4cc3c2N5CCC(CC5)C(=O)N",NA,6620134,NA,"PDBC01324",NA,"Absent",NA,NA
+"1325","5186223",NA,NA,NA,NA,NA,NA,"5186223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(cc1)C(CC(=O)c2ccccc2)Nc3ccc(Br)cc3",NA,NA,NA,"PDBC01325",NA,"Absent",NA,NA
+"1326","5211181",NA,NA,NA,NA,NA,NA,"5211181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[O-][N+](=O)c1ccccc1NC(=O)c2cc(ccc2Cl)S(=O)(=O)N3CCCCC3",NA,NA,NA,"PDBC01326",NA,"Absent",NA,NA
+"1327","5149715",NA,NA,NA,NA,NA,NA,"5149715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(=O)oc2cc(OC(=O)COc3ccc4c(=O)c(c(C)oc4c3)c5ccc6OCCOc6c5)ccc12",NA,NA,NA,"PDBC01327",NA,"Absent",NA,NA
+"1328","5224221",NA,NA,NA,NA,NA,NA,"5224221",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C(Nc1ccc(/C=C/C(=O)c2ccccc2)cc1)C(c3ccccc3)c4ccccc4",NA,NA,NA,"PDBC01328",NA,"Absent",NA,NA
+"1329","5152487",NA,NA,NA,NA,NA,NA,"5152487",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brc1cc(Br)c(OC(=O)c2ccccc2C(=O)OCC#C)c(Br)c1",NA,NA,NA,"PDBC01329",NA,"Absent",NA,NA
+"1330","5114445",NA,NA,NA,NA,NA,NA,"5114445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[O-][N+](=O)c1ccc(cc1)C(=O)Oc2c(Cl)cc(Cl)c(Cl)c2CNC(=O)c3ccccc3",NA,NA,NA,"PDBC01330",NA,"Absent",NA,NA
+"1331","5252917",NA,NA,NA,NA,NA,NA,"5252917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc(cc1)S(=O)(=O)Nc2ccccc2c3nc4ccccc4o3",NA,NA,NA,"PDBC01331",NA,"Absent",NA,NA
+"1332","5162773",NA,NA,NA,NA,NA,NA,"5162773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[O-][N+](=O)c1cc(ccc1Br)C(=O)Oc2ccc(OC(=O)c3ccc(Br)c(c3)[N+](=O)[O-])c(c2)C(=O)c4ccccc4",NA,NA,NA,"PDBC01332",NA,"Absent",NA,NA
+"1333","5255229",NA,NA,NA,NA,NA,NA,"5255229",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCc1ccc(cc1)c2nc3cc(NC(=O)c4cccc(c4)[N+](=O)[O-])ccc3o2",NA,NA,NA,"PDBC01333",NA,"Absent",NA,NA
+"1334","5213008",NA,NA,NA,NA,NA,NA,"5213008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(C)cc(NCC(=O)Nc2c(C)cccc2C)c1",NA,NA,NA,"PDBC01334",NA,"Absent",NA,NA
+"1335","5248896",NA,NA,NA,NA,NA,NA,"5248896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C/C(=C/1\C(=NN(C1=O)c2ccc(Br)cc2Br)C)/NCc3ccccc3",NA,NA,NA,"PDBC01335",NA,"Absent",NA,NA
+"1336","5151277",NA,NA,NA,NA,NA,NA,"5151277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)CCC(=O)C2=C1OC3=C(C2C=C(Cl)Cl)C(=O)CCC3(C)C",NA,NA,NA,"PDBC01336",NA,"Absent",NA,NA
+"1337","5279552",NA,NA,NA,NA,NA,NA,"5279552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccc2nnc(c3ccccc3)n2n1",NA,NA,NA,"PDBC01337",NA,"Absent",NA,NA
+"1338","5230742",NA,NA,NA,NA,NA,NA,"5230742",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)c1ccc(cc1NC(=O)c2ccccc2)[N+](=O)[O-]",NA,NA,NA,"PDBC01338",NA,"Absent",NA,NA
+"1339","5109870",NA,NA,NA,NA,NA,NA,"5109870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cccc(/C=N\Nc2ccccn2)c1O",NA,NA,NA,"PDBC01339",NA,"Absent",NA,NA
+"1340","5182598",NA,NA,NA,NA,NA,NA,"5182598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C/C(=N\NC(=O)N)/c1cc(CNC(=O)CCl)cs1",NA,NA,NA,"PDBC01340",NA,"Absent",NA,NA
+"1341","HC-Toxin",NA,NA,NA,NA,NA,NA,"HC toxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H]1NC(=O)C2CCCN2C(=O)[C@H](CCCCCC(=O)C3CO3)NC(=O)C(C)NC1=O","GNYCTMYOHGBSBI-MNNKGFPISA-N",107864,NA,"PDBC01341",NA,"Absent",NA,NA
+"1342","Decitabine",NA,NA,NA,NA,NA,NA,"decitabine","decitabine",NA,NA,NA,NA,NA,"Decitabine",NA,NA,NA,"Decitabine",NA,"DECITABINE","decitabine","Nc1ncn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1","XAUDJQYHKZQPEU-KVQBGUIXSA-N",451668,TRUE,"PDBC01342","127716","Present","decitabine",NA
+"1343","5286656",NA,NA,NA,NA,NA,NA,"5286656",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccc(C(=O)n2cnc3ccccc23)c(Cl)c1",NA,NA,NA,"PDBC01343",NA,"Absent",NA,NA
+"1344","Y-27632 Dihydrochloride",NA,NA,NA,NA,NA,NA,"Y-27632",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Y-27632","Y-27632","C[C@@H](N)[C@H]1CC[C@@H](CC1)C(=O)Nc2ccncc2","IYOZTVGMEWJPKR-VOMCLLRMSA-N",448042,NA,"PDBC01344","751297","Present",NA,NA
+"1345","Ikarugamycin",NA,NA,NA,NA,NA,NA,"ikarugamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ikarugamycin","Ikarugamycin",NA,"CC[C@@H]1[C@H](C)C[C@@H]2[C@H]3C[C@H]4CCC(=O)C5=C(O)[C@H](CCCNC(=O)/C=C\C[C@@H]4[C@H]3C=C[C@@H]12)NC5=O","GHXZHWYUSAWISC-UHFFFAOYSA-N",57369669,NA,"PDBC01345","789948","Present",NA,NA
+"1346","Ionomycin",NA,NA,NA,NA,NA,NA,"ionomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[C@@H](C)C[C@H](C)C[C@H](C)C(=O)/C=C(\O)/[C@H](C)C[C@H](C)C/C=C/[C@@H](C)[C@@H](O)[C@@H](C)[C@@H](O)C[C@@H]1CC[C@](C)(O1)[C@H]2CC[C@](C)(O2)[C@@H](C)O","PGHMRUGBZOYCAA-ADZNBVRBSA-N",6912226,NA,"PDBC01346",NA,"Absent",NA,NA
+"1347","Celastrol",NA,NA,NA,NA,NA,NA,"celastrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Celastrol",NA,"C[C@]1(CC[C@]2(C)CC[C@]3(C)C4=CC=C5C=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C(=O)O","KQJSQWZMSAGSHN-JJWQIEBTSA-N",122724,NA,"PDBC01347","70931","Present",NA,NA
+"1348","pararosaniline",NA,NA,NA,NA,NA,NA,"pararosaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Fuchsin",NA,"Nc1ccc(cc1)C(=C2C=CC(=N)C=C2)c3ccc(N)cc3","JUQPZRLQQYSMEQ-UHFFFAOYSA-N",11292,NA,"PDBC01348","10460","Present",NA,NA
+"1349","(-)-Depudecin",NA,NA,NA,NA,NA,NA,"depudecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H](O)[C@@H]1O[C@H]1/C=C/[C@@H]2O[C@H]2[C@H](O)C=C","DLVJMFOLJOOWFS-VCACHIOZSA-N",71311723,NA,"PDBC01349",NA,"Absent",NA,NA
+"1350","Monensin",NA,NA,NA,NA,NA,NA,"monensin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"monensin","CC[C@]1(CCC(O1)[C@@]2(C)CC[C@@]3(C[C@@H](O)[C@H](C)C(O3)[C@H](C)[C@H](OC)C(C)C(=O)O)O2)C4OC(C[C@H]4C)C5O[C@@](O)(CO)[C@H](C)C[C@@H]5C","GAOZTHIDHYLHMS-KEOBGNEYSA-N",441145,NA,"PDBC01350",NA,"Present",NA,NA
+"1351","DL-Ppmp",NA,NA,NA,NA,NA,NA,"DL-PPMP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCCCCCCCCCCCC(=O)N[C@H](CN1CCOCC1)[C@H](O)c2ccccc2","ORVAUBQYJOFWFY-ZHESDOBJSA-N",49837889,NA,"PDBC01351",NA,"Absent",NA,NA
+"1352","BW-B70C",NA,NA,NA,NA,NA,NA,"BW-B70C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(/C=C/c1cccc(Oc2ccc(F)cc2)c1)N(O)C(=O)N","UAIYNMRLUHHRMF-AATRIKPKSA-N",5353454,NA,"PDBC01352",NA,"Absent",NA,NA
+"1353","(-)-Catechin",NA,NA,NA,NA,NA,NA,"(-)-catechin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3","PFTAWBLQPZVEMU-HIFRSBDPSA-N",73160,NA,"PDBC01353",NA,"Absent",NA,NA
+"1354","Gibberellic acid",NA,NA,NA,NA,NA,NA,"gibberellic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"grocel",NA,"C[C@]1([C@H]2[C@H](C(=O)O)[C@]3(CC(=C)[C@@]4(O)C3)[C@@H](CC4)[C@]52OC1=O)[C@@H](O)C=C5","IXORZMNAPKEEDV-OBDJNFEBSA-N",6466,NA,"PDBC01354","14190","Present",NA,NA
+"1355","Demecolcine",NA,NA,NA,NA,NA,NA,"demecolcine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNC1CCc2cc(OC)c(OC)c(OC)c2-c3ccc(OC)c(=O)cc13","NNJPGOLRFBJNIW-UHFFFAOYSA-N",2832,NA,"PDBC01355",NA,"Absent",NA,NA
+"1356","Zoxazolamine",NA,NA,NA,NA,NA,NA,"zoxazolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1nc2cc(Cl)ccc2o1","YGCODSQDUUUKIV-UHFFFAOYSA-N",6103,NA,"PDBC01356",NA,"Absent",NA,NA
+"1357","12,13-EODE",NA,NA,NA,NA,NA,NA,"12,13-EODE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCC1OC1C/C=C\CCCCCCCC(=O)O","CCPPLLJZDQAOHD-DHZHZOJOSA-N",5283014,NA,"PDBC01357",NA,"Absent",NA,NA
+"1358","Yohimbine",NA,NA,NA,NA,NA,NA,"yohimbine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"yohimbine",NA,"COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12","BLGXFZZNTVWLAY-SCYLSFHTSA-N",8969,NA,"PDBC01358","19509","Present",NA,NA
+"1359","3-hydroxy-DL-kynurenine",NA,NA,NA,NA,NA,NA,"3-hydroxy-DL-kynurenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(CC(=O)c1cccc(O)c1N)C(=O)O","VCKPUUFAIGNJHC-UHFFFAOYSA-N",25244175,NA,"PDBC01359",NA,"Absent",NA,NA
+"1360","phenanthridinone",NA,NA,NA,NA,NA,NA,"phenanthridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=c1[nH]c2ccccc2c3ccccc13","IHYKUAAWZFJGJJ-UHFFFAOYSA-N",53434997,NA,"PDBC01360",NA,"Absent",NA,NA
+"1361","Pinacidil",NA,NA,NA,NA,NA,NA,"pinacidil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(NC(=NC#N)Nc1ccncc1)C(C)(C)C","IVVNZDGDKPTYHK-UHFFFAOYSA-N",4826,TRUE,"PDBC01361",NA,"Absent",NA,NA
+"1362","Acacetin",NA,NA,NA,NA,NA,NA,"acacetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(cc1)c2cc(=O)c3c(O)cc(O)cc3o2","DANYIYRPLHHOCZ-UHFFFAOYSA-N",5280442,NA,"PDBC01362",NA,"Absent",NA,NA
+"1363","Hesperetin",NA,NA,NA,NA,NA,NA,"hesperetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(cc1O)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2","AIONOLUJZLIMTK-AWEZNQCLSA-N",72281,NA,"PDBC01363",NA,"Absent",NA,NA
+"1364","Therafectin",NA,NA,NA,NA,NA,NA,"amiprilose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCCO[C@H]1[C@H](O[C@@H]2OC(C)(C)O[C@H]12)C(O)CO","RJNRORZRFGUAKL-ADMBVFOFSA-N",9798098,NA,"PDBC01364",NA,"Absent",NA,NA
+"1365","Lycorine",NA,NA,NA,NA,NA,NA,"lycorine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lycorine HCl","likorin",NA,"O[C@H]1C=C2CCN3Cc4cc5OCOc5cc4[C@@H]([C@H]32)[C@@H]1O","XGVJWXAYKUHDOO-DANNLKNASA-N",72378,NA,"PDBC01365","401360","Present",NA,NA
+"1366","Phenethicillin",NA,NA,NA,NA,NA,NA,"pheneticillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O","NONJJLVGHLVQQM-JHXYUMNGSA-N",272833,NA,"PDBC01366",NA,"Absent",NA,NA
+"1367","Glafenine",NA,NA,NA,NA,NA,NA,"glafenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OCC(O)COC(=O)c1ccccc1Nc2ccnc3cc(Cl)ccc23","GWOFUCIGLDBNKM-UHFFFAOYSA-N",3474,NA,"PDBC01367",NA,"Absent",NA,NA
+"1368","Ebselen",NA,NA,NA,NA,NA,NA,"ebselen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ebselen",NA,NA,"O=c1n([se]c2ccccc12)c3ccccc3","DYEFUKCXAQOFHX-UHFFFAOYSA-N",3194,NA,"PDBC01368",NA,"Absent",NA,NA
+"1369","Esculin",NA,NA,NA,NA,NA,NA,"esculin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC[C@H]1O[C@H](Oc2cc3ccc(=O)oc3cc2O)[C@H](O)[C@@H](O)[C@@H]1O","XHCADAYNFIFUHF-TVKJYDDYSA-N",5281417,NA,"PDBC01369",NA,"Absent",NA,NA
+"1370","S-propranolol",NA,NA,NA,NA,NA,NA,"S-propranolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-propranolol hydrochloride",NA,NA,"CC(C)NC[C@H](O)COc1cccc2ccccc12",NA,NA,NA,"PDBC01370",NA,"Absent",NA,NA
+"1371","Ouabain",NA,NA,NA,NA,NA,NA,"ouabain","ouabain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OUABAIN","ouabain","C[C@@H]1O[C@@H](O[C@H]2C[C@@H](O)[C@]3(CO)C4[C@H](O)C[C@]5(C)[C@H](CC[C@]5(O)C4CC[C@]3(O)C2)C6=CC(=O)OC6)[C@H](O)[C@H](O)[C@H]1O","LPMXVESGRSUGHW-HBYQJFLCSA-N",439501,NA,"PDBC01371","757425","Present",NA,NA
+"1372","Isoflupredone",NA,NA,NA,NA,NA,NA,"isoflupredone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC12600///NSC37977///isoflupredone","isoflupredone-acetate","CC12CC(C3(C(C1CCC2(C(=O)CO)O)CCC4=CC(=O)C=CC43C)F)O","WAIJIHDWAKJCBX-BULBTXNYSA-N",127516,NA,"PDBC01372","12600///37977///12174","Present",NA,NA
+"1373","Meticrane",NA,NA,NA,NA,NA,NA,"meticrane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc2CCCS(=O)(=O)c2cc1S(=O)(=O)N","FNQQBFNIYODEMB-UHFFFAOYSA-N",4165,NA,"PDBC01373",NA,"Absent",NA,NA
+"1374","Heptaminol",NA,NA,NA,NA,NA,NA,"heptaminol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(N)CCCC(C)(C)O","LREQLEBVOXIEOM-UHFFFAOYSA-N",3590,NA,"PDBC01374",NA,"Absent",NA,NA
+"1375","Dexpanthenol",NA,NA,NA,NA,NA,NA,"dexpanthenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(CO)[C@@H](O)C(=O)NCCCO","SNPLKNRPJHDVJA-UHFFFAOYSA-N",4678,TRUE,"PDBC01375",NA,"Absent",NA,NA
+"1376","Antipyrine",NA,NA,NA,NA,NA,NA,"phenazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenazone","Cc1cc(=O)n(c2ccccc2)n1C","VEQOALNAAJBPNY-UHFFFAOYSA-N",2206,NA,"PDBC01376",NA,"Present",NA,NA
+"1377","4-hydroxyphenazone",NA,NA,NA,NA,NA,NA,"4-hydroxyphenazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-hydroxy-phenazone","Cc1c(O)c(=O)n(c2ccccc2)n1C",NA,NA,NA,"PDBC01377",NA,"Present",NA,NA
+"1378","Hexamethonium bromide",NA,NA,NA,NA,NA,NA,"hexamethonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[N+](C)(C)CCCCCC[N+](C)(C)C","FAPSXSAPXXJTOU-UHFFFAOYSA-L",5938,NA,"PDBC01378",NA,"Absent",NA,NA
+"1379","Isoxicam",NA,NA,NA,NA,NA,NA,"isoxicam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C(=C(O)c2ccccc2S1(=O)=O)C(=O)Nc3cc(C)on3","YYUAYBYLJSNDCX-UHFFFAOYSA-N",54677972,NA,"PDBC01379",NA,"Absent",NA,NA
+"1380","Amylocaine",NA,NA,NA,NA,NA,NA,"amylocaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(C)(CN(C)C)OC(=O)c1ccccc1","FDMBBCOBEAVDAO-UHFFFAOYSA-N",10767,NA,"PDBC01380",NA,"Absent",NA,NA
+"1381","Oxethazaine",NA,NA,NA,NA,NA,NA,"oxetacaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxethazaine",NA,NA,"CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2","FTLDJPRFCGDUFH-UHFFFAOYSA-N",4621,NA,"PDBC01381",NA,"Absent",NA,NA
+"1382","Isoxsuprine",NA,NA,NA,NA,NA,NA,"isoxsuprine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isoxsuprine","CC(COc1ccccc1)NC(C)[C@H](O)c2ccc(O)cc2","BMUKKTUHUDJSNZ-UHFFFAOYSA-N",3783,NA,"PDBC01382",NA,"Present",NA,NA
+"1383","Cotinine",NA,NA,NA,NA,NA,NA,"cotinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1[C@@H](CCC1=O)c2cccnc2","UIKROCXWUNQSPJ-VIFPVBQESA-N",854019,NA,"PDBC01383",NA,"Absent",NA,NA
+"1384","Moroxydine",NA,NA,NA,NA,NA,NA,"moroxydine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=N)NC(=N)N1CCOCC1","KJHOZAZQWVKILO-UHFFFAOYSA-N",71655,NA,"PDBC01384",NA,"Absent",NA,NA
+"1385","Aminopyrine",NA,NA,NA,NA,NA,NA,"aminophenazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)c1c(C)n(C)n(c2ccccc2)c1=O","RMMXTBMQSGEXHJ-UHFFFAOYSA-N",6009,NA,"PDBC01385",NA,"Absent",NA,NA
+"1386","Azacyclonol",NA,NA,NA,NA,NA,NA,"azacyclonol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(C1CCNCC1)(c2ccccc2)c3ccccc3","ZMISODWVFHHWNR-UHFFFAOYSA-N",15723,NA,"PDBC01386",NA,"Absent",NA,NA
+"1387","Lynestrenol",NA,NA,NA,NA,NA,NA,"lynestrenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lynestrenol",NA,NA,"C[C@@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]2CC[C@@]1(O)C#C","YNVGQYHLRCDXFQ-JBKQDOAHSA-N",5284486,NA,"PDBC01387",NA,"Absent",NA,NA
+"1388","Acetylsalicylsalicylic acid",NA,NA,NA,NA,NA,NA,"acetylsalicylsalicylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetylsalicylsalicylic-acid","CC(=O)Oc1ccccc1C(=O)Oc2ccccc2C(=O)O","DDSFKIFGAPZBSR-UHFFFAOYSA-N",10745,NA,"PDBC01388",NA,"Present",NA,NA
+"1389","Atropine oxide",NA,NA,NA,NA,NA,NA,"atropine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"xtro, base",NA,NA,"HGWPFSBHDACWNL-UHFFFAOYSA-N",20710,NA,"PDBC01389","72861","Present",NA,NA
+"1390","Dizocilpine",NA,NA,NA,NA,NA,NA,"dizocilpine///(-)-MK-801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]1(N[C@@H]2Cc3ccccc31)c4ccccc24","LBOJYSIDWZQNJS-CVEARBPZSA-N",180081,NA,"PDBC01390",NA,"Absent",NA,NA
+"1391","Metanephrine",NA,NA,NA,NA,NA,NA,"metanephrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNCC(O)c1ccc(O)c(OC)c1","JWJCTZKFYGDABJ-UHFFFAOYSA-N",21100,NA,"PDBC01391",NA,"Absent",NA,NA
+"1392","Dehydrocholic acid",NA,NA,NA,NA,NA,NA,"dehydrocholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dehydrocholate-acid","C[C@H](CCC(=O)O)[C@H]1CCC2C3C(CC(=O)[C@]12C)[C@@]4(C)CCC(=O)CC4CC3=O","OHXPGWPVLFPUSM-KLRNGDHRSA-N",6674,NA,"PDBC01392",NA,"Present",NA,NA
+"1393","(-)-Mefloquine",NA,NA,NA,NA,NA,NA,"mefloquine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mefloquine hydrochloride",NA,NA,"OC(C1CCCCN1)c2cc(nc3c(cccc23)C(F)(F)F)C(F)(F)F","XEEQGYMUWCZPDN-DOMZBBRYSA-N",40692,TRUE,"PDBC01393",NA,"Absent",NA,NA
+"1394","Isoconazole",NA,NA,NA,NA,NA,NA,"isoconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoconazole",NA,NA,"Clc1ccc(C(Cn2ccnc2)OCc3c(Cl)cccc3Cl)c(Cl)c1","MPIPASJGOJYODL-UHFFFAOYSA-N",3760,NA,"PDBC01394",NA,"Absent",NA,NA
+"1395","Astemizole",NA,NA,NA,NA,NA,NA,"astemizole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Astemizole","astemizole (usan)","astemizole","COc1ccc(CCN2CCC(CC2)Nc3nc4ccccc4n3Cc5ccc(F)cc5)cc1","GXDALQBWZGODGZ-UHFFFAOYSA-N",2247,NA,"PDBC01395","759570","Present",NA,NA
+"1396","Terfenadine",NA,NA,NA,NA,NA,NA,"terfenadine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Terfenadine","seldane","terfenadine","CC(C)(C)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4","GUGOEEXESWIERI-UHFFFAOYSA-N",5405,NA,"PDBC01396","758627///665802","Present",NA,NA
+"1397","Canrenoic acid",NA,NA,NA,NA,NA,NA,"canrenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]2CC[C@@]1(O)CCC(=O)O","PBKZPPIHUVSDNM-WNHSNXHDSA-N",656615,NA,"PDBC01397",NA,"Absent",NA,NA
+"1398","Thioproperazine",NA,NA,NA,NA,NA,NA,"thioproperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioproperazine dimesylate",NA,"thioproperazine","CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1","VZYCZNZBPPHOFY-UHFFFAOYSA-N",9429,NA,"PDBC01398",NA,"Present",NA,NA
+"1399","Pentetrazol",NA,NA,NA,NA,NA,NA,"pentetrazol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CCc2nnnn2CC1","CWRVKFFCRWGWCS-UHFFFAOYSA-N",5917,NA,"PDBC01399",NA,"Absent",NA,NA
+"1400","Mafenide",NA,NA,NA,NA,NA,NA,"mafenide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCc1ccc(cc1)S(=O)(=O)N","TYMRLRRVMHJFTF-UHFFFAOYSA-N",3998,TRUE,"PDBC01400",NA,"Absent",NA,NA
+"1401","Iproniazid",NA,NA,NA,NA,NA,NA,"iproniazid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"iproniazid","CC(C)NNC(=O)c1ccncc1","NYMGNSNKLVNMIA-UHFFFAOYSA-N",3748,NA,"PDBC01401",NA,"Present",NA,NA
+"1402","Mephenesin",NA,NA,NA,NA,NA,NA,"mephenesin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccccc1OCC(O)CO","JWDYCNIAQWPBHD-UHFFFAOYSA-N",4059,NA,"PDBC01402",NA,"Absent",NA,NA
+"1403","4-Aminoantipyrine",NA,NA,NA,NA,NA,NA,"ampyrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1c(N)c(=O)n(c2ccccc2)n1C","RLFWWDJHLFCNIJ-UHFFFAOYSA-N",2151,NA,"PDBC01403",NA,"Absent",NA,NA
+"1404","Levamisole",NA,NA,NA,NA,NA,NA,"levamisole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CN2C[C@@H](N=C2S1)c3ccccc3","HLFSDGLLUJUHTE-SNVBAGLBSA-N",26879,TRUE,"PDBC01404",NA,"Absent",NA,NA
+"1405","Pentolinium",NA,NA,NA,NA,NA,NA,"pentolonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1.OC(C(O)C(=O)O)C(=O)O","XSBSKEQEUFOSDD-UHFFFAOYSA-N",5850,NA,"PDBC01405",NA,"Absent",NA,NA
+"1406","6-Benzylaminopurine",NA,NA,NA,NA,NA,NA,"6-benzylaminopurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(Nc1ncnc2[nH]cnc12)c3ccccc3","NWBJYWHLCVSVIJ-UHFFFAOYSA-N",62389,NA,"PDBC01406",NA,"Absent",NA,NA
+"1407","Oxolinic acid",NA,NA,NA,NA,NA,NA,"oxolinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCn1cc(C(=O)O)c(=O)c2cc3OCOc3cc12","KYGZCKSPAKDVKC-UHFFFAOYSA-N",4628,NA,"PDBC01407",NA,"Absent",NA,NA
+"1408","Hydrastinine",NA,NA,NA,NA,NA,NA,"hydrastinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCc2cc3OCOc3cc2C1O","YOJQZPVUNUQTDF-UHFFFAOYSA-N",3638,NA,"PDBC01408",NA,"Absent",NA,NA
+"1409","Kavain",NA,NA,NA,NA,NA,NA,"kawain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC1=CC(=O)O[C@H](C1)/C=C/c2ccccc2","XEAQIWGXBXCYFX-GUOLPTJISA-N",5281565,NA,"PDBC01409",NA,"Absent",NA,NA
+"1410","Fenspiride",NA,NA,NA,NA,NA,NA,"fenspiride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C1NCC2(CCN(CCc3ccccc3)CC2)O1","FVNFBBAOMBJTST-UHFFFAOYSA-N",3344,NA,"PDBC01410",NA,"Absent",NA,NA
+"1411","Antimycin A",NA,NA,NA,NA,NA,NA,"antimycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC[C@@H]1[C@@H](OC(=O)CC(C)C)[C@H](C)OC(=O)[C@@H](NC(=O)c2cccc(NC=O)c2O)[C@@H](C)OC1=O","UIFFUZWRFRDZJC-SBOOETFBSA-N",14957,NA,"PDBC01411",NA,"Absent",NA,NA
+"1412","Xylometazoline",NA,NA,NA,NA,NA,NA,"xylometazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(cc(C)c1CC2=NCCN2)C(C)(C)C","HUCJFAOMUPXHDK-UHFFFAOYSA-N",5709,NA,"PDBC01412",NA,"Absent",NA,NA
+"1413","Hyoscine N-oxide",NA,NA,NA,NA,NA,NA,"scopolamine N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[N+]1([O-])[C@H]2C[C@@H](C[C@@H]1[C@H]3O[C@H]32)OC(=O)[C@H](CO)c4ccccc4","UCHIECVTJBGPNP-IILNCVEESA-N",3000667,NA,"PDBC01413",NA,"Absent",NA,NA
+"1414","Hyoscyamine",NA,NA,NA,NA,NA,NA,"hyoscyamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hyoscyamine","CN1C2CC[C@@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3","RKUNBYITZUJHSG-UHFFFAOYSA-N",3661,NA,"PDBC01414",NA,"Present",NA,NA
+"1415","Niflumic acid",NA,NA,NA,NA,NA,NA,"niflumic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F","JZFPYUNJRRFVQU-UHFFFAOYSA-N",4488,NA,"PDBC01415",NA,"Absent",NA,NA
+"1416","Ethisterone",NA,NA,NA,NA,NA,NA,"ethisterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC12CCC3C(CCC4=CC(=O)CCC34C)C2CCC1(O)C#C","CHNXZKVNWQUJIB-CEGNMAFCSA-N",5284557,NA,"PDBC01416",NA,"Absent",NA,NA
+"1417","Fenoterol",NA,NA,NA,NA,NA,NA,"fenoterol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(Cc1ccc(O)cc1)NCC(O)c2cc(O)cc(O)c2","LSLYOANBFKQKPT-UHFFFAOYSA-N",3343,NA,"PDBC01417",NA,"Absent",NA,NA
+"1418","Pimethixene",NA,NA,NA,NA,NA,NA,"pimethixene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCC(=C2c3ccccc3Sc4ccccc24)CC1","NZLVRVYNQYGMAB-UHFFFAOYSA-N",4822,NA,"PDBC01418",NA,"Absent",NA,NA
+"1419","Fipexide",NA,NA,NA,NA,NA,NA,"fipexide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccc(OCC(=O)N2CCN(Cc3ccc4OCOc4c3)CC2)cc1","BFUJHVVEMMWLHC-UHFFFAOYSA-N",3351,NA,"PDBC01419",NA,"Absent",NA,NA
+"1420","Diperodon",NA,NA,NA,NA,NA,NA,"diperodon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C(Nc1ccccc1)OCC(CN2CCCCC2)OC(=O)Nc3ccccc3","YUGZHQHSNYIFLG-UHFFFAOYSA-N",10831,NA,"PDBC01420",NA,"Absent",NA,NA
+"1421","Telenzepine",NA,NA,NA,NA,NA,NA,"telenzepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCN(CC(=O)N2c3c(C)scc3C(=O)Nc4ccccc24)CC1","VSWPGAIWKHPTKX-UHFFFAOYSA-N",5387,NA,"PDBC01421",NA,"Absent",NA,NA
+"1422","Amodiaquine",NA,NA,NA,NA,NA,NA,"amodiaquine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amodiaquin dihydrochloride dihydrate",NA,NA,"CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O","OVCDSSHSILBFBN-UHFFFAOYSA-N",2165,TRUE,"PDBC01422",NA,"Absent",NA,NA
+"1423","Clofilium tosylate",NA,NA,NA,NA,NA,NA,"clofilium tosylate///Prestwick-682",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clofilium tosylate",NA,NA,"CCCCCCC[N+](CC)(CC)CCCCc1ccc(Cl)cc1","MOQZYUUHIWPDQC-UHFFFAOYSA-M",175533,NA,"PDBC01423",NA,"Absent",NA,NA
+"1424","Tremorine",NA,NA,NA,NA,NA,NA,"tremorine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tremorine","C(C#CCN1CCCC1)N2CCCC2","JSUAJTLKVREZHV-UHFFFAOYSA-N",5534,NA,"PDBC01424",NA,"Present",NA,NA
+"1425","Practolol",NA,NA,NA,NA,NA,NA,"practolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"practolol","CC(C)NCC(O)COc1ccc(NC(=O)C)cc1","DURULFYMVIFBIR-UHFFFAOYSA-N",4883,NA,"PDBC01425",NA,"Present",NA,NA
+"1426","N6-Methyladenosine",NA,NA,NA,NA,NA,NA,"N6-methyladenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O","VQAYFKKCNSOZKM-IOSLPCCCSA-N",102175,NA,"PDBC01426",NA,"Absent",NA,NA
+"1427","Methapyrilene",NA,NA,NA,NA,NA,NA,"methapyrilene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCN(Cc1cccs1)c2ccccn2","HNJJXZKZRAWDPF-UHFFFAOYSA-N",4098,NA,"PDBC01427",NA,"Absent",NA,NA
+"1428","Clorgiline",NA,NA,NA,NA,NA,NA,"clorgiline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(CCCOc1ccc(Cl)cc1Cl)CC#C","BTFHLQRNAMSNLC-UHFFFAOYSA-N",4380,NA,"PDBC01428",NA,"Absent",NA,NA
+"1429","6-Thioguanosine",NA,NA,NA,NA,NA,NA,"thioguanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioguanosine",NA,NA,"Nc1nc(S)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1","OTDJAMXESTUWLO-UUOKFMHZSA-N",2724387,NA,"PDBC01429",NA,"Absent",NA,NA
+"1430","Hycanthone",NA,NA,NA,NA,NA,NA,"hycanthone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hycanthone","etrenol",NA,"CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12","MFZWMTSUNYWVBU-UHFFFAOYSA-N",3634,NA,"PDBC01430","758434///134434","Present",NA,NA
+"1431","Adenosine monophosphate",NA,NA,NA,NA,NA,NA,"adenosine phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1ncnc2n(cnc12)C3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O","UDMBCSSLTHHNCD-KQYNXXCUSA-N",6083,NA,"PDBC01431",NA,"Absent",NA,NA
+"1432","Brinzolamide",NA,NA,NA,NA,NA,NA,"brinzolamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(=O)(=O)N","HCRKCZRJWPKOAR-JTQLQIEISA-N",68844,TRUE,"PDBC01432",NA,"Absent",NA,NA
+"1433","Debrisoquine",NA,NA,NA,NA,NA,NA,"debrisoquine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=N)N1CCc2ccccc2C1","JWPGJSVJDAJRLW-UHFFFAOYSA-N",2966,NA,"PDBC01433",NA,"Absent",NA,NA
+"1434","Methiothepin",NA,NA,NA,NA,NA,NA,"metitepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methiothepin maleate",NA,NA,"CSc1ccc2Sc3ccccc3CC(N4CCN(C)CC4)c2c1","RLJFTICUTYVZDG-UHFFFAOYSA-N",4106,NA,"PDBC01434",NA,"Absent",NA,NA
+"1435","Naftidrofuryl",NA,NA,NA,NA,NA,NA,"naftidrofuryl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naftidrofuryl","CCN(CC)CCOC(=O)C(CC1CCCO1)Cc2cccc3ccccc23","KBAFPSLPKGSANY-UHFFFAOYSA-N",4417,NA,"PDBC01435",NA,"Present",NA,NA
+"1436","Mimosine",NA,NA,NA,NA,NA,NA,"mimosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mimosin",NA,"N[C@@H](Cn1ccc(=O)c(O)c1)C(=O)O","WZNJWVWKTVETCG-UHFFFAOYSA-N",3862,NA,"PDBC01436","69188","Present",NA,NA
+"1437","Lidoflazine",NA,NA,NA,NA,NA,NA,"lidoflazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lidoflazine",NA,NA,"Cc1cccc(C)c1NC(=O)CN2CCN(CCCC(c3ccc(F)cc3)c4ccc(F)cc4)CC2","ZBIAKUMOEKILTF-UHFFFAOYSA-N",3926,NA,"PDBC01437",NA,"Absent",NA,NA
+"1438","Carbetapentane",NA,NA,NA,NA,NA,NA,"pentoxyverine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2","CFJMRBQWBDQYMK-UHFFFAOYSA-N",2562,NA,"PDBC01438",NA,"Absent",NA,NA
+"1439","Fusidic acid",NA,NA,NA,NA,NA,NA,"fusidic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]3(C)C2[C@H](O)C[C@H]4/C(=C(/CCC=C(C)C)\C(=O)O)/[C@H](C[C@@]43C)OC(=O)C","IECPWNUMDGFDKC-MZJAQBGESA-N",3000226,NA,"PDBC01439",NA,"Absent",NA,NA
+"1440","Hemicholinium",NA,NA,NA,NA,NA,NA,"hemicholinium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[N+]1(C)CCOC(O)(C1)c2ccc(cc2)c3ccc(cc3)C4(O)C[N+](C)(C)CCO4","JIWUESGGKYLPPG-UHFFFAOYSA-N",3585,NA,"PDBC01440",NA,"Absent",NA,NA
+"1441","Kanamycin",NA,NA,NA,NA,NA,NA,"kanamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O","SBUJHOSQTJFQJX-NOAMYHISSA-N",6032,TRUE,"PDBC01441",NA,"Absent",NA,NA
+"1442","Oxantel",NA,NA,NA,NA,NA,NA,"oxantel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCCN=C1/C=C/c2cccc(O)c2.OC(=O)c1cc2ccccc2c(Cc3cc4ccccc4c(C(=O)O)c3O)c1O","VRYKTHBAWRESFI-VOTSOKGWSA-N",5281087,NA,"PDBC01442",NA,"Absent",NA,NA
+"1443","Arecoline",NA,NA,NA,NA,NA,NA,"arecoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)C1=CCCN(C)C1","HJJPJSXJAXAIPN-UHFFFAOYSA-N",2230,NA,"PDBC01443",NA,"Absent",NA,NA
+"1444","dl-alpha tocopherol",NA,NA,NA,NA,NA,NA,"dl-alpha tocopherol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1","GVJHHUAWPYXKBD-UHFFFAOYSA-N",2116,NA,"PDBC01444",NA,"Absent",NA,NA
+"1445","Pepstatin",NA,NA,NA,NA,NA,NA,"pepstatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pepstatin","pepstatin","CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)C(C)C)[C@@H](O)CC(=O)O","FAXGPCHRFPCXOO-LXTPJMTPSA-N",5478883,NA,"PDBC01445","272671","Present",NA,NA
+"1446","SR-95639A",NA,NA,NA,NA,NA,NA,"SR-95639A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(CN1CCOCC1)Nc2cc3CCCc4ccccc4-c3nn2","LAROMNHHFPRNET-UHFFFAOYSA-N",195164,NA,"PDBC01446",NA,"Absent",NA,NA
+"1447","Androsterone",NA,NA,NA,NA,NA,NA,"androsterone///Prestwick-689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]2CCC1=O","QGXBDMJGAMFCBF-HLUDHZFRSA-N",5879,NA,"PDBC01447",NA,"Absent",NA,NA
+"1448","Anisomycin",NA,NA,NA,NA,NA,NA,"anisomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anisomycin","anisomycin - hcl///ANISOMYCIN","anisomycin","CC(=O)OC1C(CNC1CC2=CC=C(C=C2)OC)O","YKJYKKNCCRKFSL-RDBSUJKOSA-N",253602,NA,"PDBC01448","147340///76712","Present",NA,NA
+"1449","N-Acetyl-L-aspartic acid",NA,NA,NA,NA,NA,NA,"N-acetyl-L-aspartic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)N[C@@H](CC(=O)O)C(=O)O","OTCCIMWXFLJLIA-BYPYZUCNSA-N",65065,NA,"PDBC01449",NA,"Absent",NA,NA
+"1450","Betulinic acid",NA,NA,NA,NA,NA,NA,"betulinic acid","betulinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Betulinic Acid","betulinic-acid","CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12)C(=O)O","QGJZLNKBHJESQX-FZFNOLFKSA-N",64971,NA,"PDBC01450","113090","Present",NA,NA
+"1451","Suloctidil",NA,NA,NA,NA,NA,NA,"suloctidil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Suloctidil","suloctidil (usan)",NA,"CCCCCCCCNC(C)C(O)c1ccc(SC(C)C)cc1","BFCDFTHTSVTWOG-UHFFFAOYSA-N",5354,NA,"PDBC01451","757852","Present",NA,NA
+"1452","Carcinine",NA,NA,NA,NA,NA,NA,"carcinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCC(=O)NCCc1cnc[nH]1","ANRUJJLGVODXIK-UHFFFAOYSA-N",2574,NA,"PDBC01452",NA,"Absent",NA,NA
+"1453","7-aminocephalosporanic acid",NA,NA,NA,NA,NA,NA,"7-aminocephalosporanic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-aminocephalosporanic-acid","CC(=O)OCC1=C(N2[C@H](SC1)[C@H](N)C2=O)C(=O)O","HSHGZXNAXBPPDL-HZGVNTEJSA-N",441328,NA,"PDBC01453",NA,"Present",NA,NA
+"1454","Chicago Sky Blue 6B",NA,NA,NA,NA,NA,NA,"Chicago Sky Blue 6B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chicago-sky-blue-6b","COc1cc(ccc1N=Nc2ccc3c(cc(c(N)c3c2O)S(=O)(=O)O)S(=O)(=O)O)c4ccc(N=Nc5ccc6c(cc(c(N)c6c5O)S(=O)(=O)O)S(=O)(=O)O)c(OC)c4","UPKAWFACSJWKND-ZXLMSEFPSA-J",6364572,NA,"PDBC01454",NA,"Present",NA,NA
+"1455","Cephaeline",NA,NA,NA,NA,NA,NA,"cephaeline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45","DTGZHCFJNDAHEN-OZEXIGSWSA-N",442195,NA,"PDBC01455",NA,"Absent",NA,NA
+"1456","Coralyne chloride",NA,NA,NA,NA,NA,NA,"coralyne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coralyne chloride",NA,"COc1cc2cc[n+]3c(C)c4cc(OC)c(OC)cc4cc3c2cc1OC","PDYBUYVOPAJLKP-UHFFFAOYSA-M",23306,NA,"PDBC01456","96349","Present",NA,NA
+"1457","Digitoxigenin",NA,NA,NA,NA,NA,NA,"digitoxigenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Digitoxigenin","echujetin","digitoxigenin","C[C@@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@]2(O)CC[C@@H]1C5=CC(=O)OC5","XZTUSOXSLKTKJQ-CESUGQOBSA-N",4369270,NA,"PDBC01457","407806","Present",NA,NA
+"1458","Epiandrosterone",NA,NA,NA,NA,NA,NA,"epiandrosterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"epiandrosterone","C[C@@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]2CCC1=O","QGXBDMJGAMFCBF-LUJOEAJASA-N",441302,NA,"PDBC01458",NA,"Present",NA,NA
+"1459","Fusaric acid",NA,NA,NA,NA,NA,NA,"fusaric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCc1ccc(nc1)C(=O)O","DGMPVYSXXIOGJY-UHFFFAOYSA-N",3442,NA,"PDBC01459",NA,"Absent",NA,NA
+"1460","SR-95531",NA,NA,NA,NA,NA,NA,"SR-95531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(cc1)c2ccc(=N)n(CCCC(=O)O)n2","GFZHNFOGCMEYTA-UHFFFAOYSA-N",107895,NA,"PDBC01460",NA,"Absent",NA,NA
+"1461","Ginkgolide-A",NA,NA,NA,NA,NA,NA,"ginkgolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ginkgolide-a","C[C@@H]1C(=O)OC2[C@H](O)C34[C@@H]5OC(=O)[C@@]4(O[C@@H]6OC(=O)[C@H](O)[C@@]63[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O","FPUXKXIZEIDQKW-VKMVSBOZSA-N",9909368,NA,"PDBC01461",NA,"Present",NA,NA
+"1462","Velnacrine",NA,NA,NA,NA,NA,NA,"velnacrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1c2C(O)CCCc2nc3ccccc13","HLVVITIHAZBPKB-UHFFFAOYSA-N",3655,NA,"PDBC01462",NA,"Absent",NA,NA
+"1463","Lumicolchicine",NA,NA,NA,NA,NA,NA,"lumicolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC1=C[C@H]2[C@H](C3=C2c4c(OC)c(OC)c(OC)cc4CC[C@@H]3NC(=O)C)C1=O","VKPVZFOUXUQJMW-FHSNZYRGSA-N",244898,NA,"PDBC01463",NA,"Absent",NA,NA
+"1464","Lysergol",NA,NA,NA,NA,NA,NA,"lysergol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C[C@H](CO)C=C2[C@H]1Cc3c[nH]c4cccc2c34","BIXJFIJYBLJTMK-MEBBXXQBSA-N",14987,NA,"PDBC01464",NA,"Absent",NA,NA
+"1465","Dinoprost",NA,NA,NA,NA,NA,NA,"dinoprost",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)O","PXGPLTODNUVGFL-YNNPMVKQSA-N",5280363,TRUE,"PDBC01465",NA,"Absent",NA,NA
+"1466","N-Acetyl-Muramic Acid",NA,NA,NA,NA,NA,NA,"N-acetylmuramic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H](O[C@@H]1[C@H](O)C(CO)O[C@H](O)C1NC(=O)C)C(=O)O","MNLRQHMNZILYPY-MDMHTWEWSA-N",6323218,NA,"PDBC01466",NA,"Absent",NA,NA
+"1467","Myricetin",NA,NA,NA,NA,NA,NA,"myricetin","myricetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"myricetin",NA,"Oc1cc(O)c2c(=O)c(O)c(oc2c1)c3cc(O)c(O)c(O)c3","IKMDFBPHZNJCSN-UHFFFAOYSA-N",5281672,NA,"PDBC01467","407290","Present",NA,NA
+"1468","Naringenin",NA,NA,NA,NA,NA,NA,"naringenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oc1ccc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2","FTVWIRXFELQLPI-ZDUSSCGKSA-N",439246,NA,"PDBC01468",NA,"Absent",NA,NA
+"1469","Naringin",NA,NA,NA,NA,NA,NA,"naringin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naringin",NA,"C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc3cc(O)c4C(=O)C[C@H](Oc4c3)c5ccc(O)cc5)[C@H](O)[C@H](O)[C@H]1O","DFPMSGMNTNDNHN-ZPHOTFPESA-N",442428,NA,"PDBC01469","5548","Present",NA,NA
+"1470","Neostigmine bromide",NA,NA,NA,NA,NA,NA,"neostigmine bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)C(=O)Oc1cccc(c1)[N+](C)(C)C","LULNWZDBKTWDGK-UHFFFAOYSA-M",8246,NA,"PDBC01470",NA,"Absent",NA,NA
+"1471","Niridazole",NA,NA,NA,NA,NA,NA,"niridazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"niridazole","[O-][N+](=O)c1cnc(s1)N2CCNC2=O","RDXLYGJSWZYTFJ-UHFFFAOYSA-N",6093,NA,"PDBC01471",NA,"Present",NA,NA
+"1472","Ceforanide",NA,NA,NA,NA,NA,NA,"ceforanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCc1ccccc1CC(=O)N[C@H]2[C@H]3SCC(=C(N3C2=O)C(=O)O)CSc4nnnn4CC(=O)O","SLAYUXIURFNXPG-CRAIPNDOSA-N",43507,TRUE,"PDBC01472",NA,"Absent",NA,NA
+"1473","Piperine",NA,NA,NA,NA,NA,NA,"piperine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"piperine","O=C(/C=C/C=C/c1ccc2OCOc2c1)N3CCCCC3","MXXWOMGUGJBKIW-YPCIICBESA-N",638024,NA,"PDBC01473",NA,"Present",NA,NA
+"1474","Puromycin",NA,NA,NA,NA,NA,NA,"puromycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"puromycin","puromycin","COc1ccc(CC(N)C(=O)N[C@@H]2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c(ncnc34)N(C)C)cc1","RXWNCPJZOCPEPQ-NVWDDTSBSA-N",439530,NA,"PDBC01474","3055","Present",NA,NA
+"1475","6-Azathymine",NA,NA,NA,NA,NA,NA,"6-azathymine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1n[nH]c(=O)[nH]c1=O","XZWMZFQOHTWGQE-UHFFFAOYSA-N",70269,NA,"PDBC01475",NA,"Absent",NA,NA
+"1476","Benperidol",NA,NA,NA,NA,NA,NA,"benperidol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fc1ccc(cc1)C(=O)CCCN2CCC(CC2)n3c(=O)[nH]c4ccccc34","FEBOTPHFXYHVPL-UHFFFAOYSA-N",16363,NA,"PDBC01476",NA,"Absent",NA,NA
+"1477","Iobenguane",NA,NA,NA,NA,NA,NA,"iobenguane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"iobenguane","NC(=N)NCc1cccc(I)c1","PDWUPXJEEYOOTR-UHFFFAOYSA-N",60860,TRUE,"PDBC01477",NA,"Present",NA,NA
+"1478","Metixene",NA,NA,NA,NA,NA,NA,"metixene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Metixene hydrochloride",NA,NA,"CN1CCCC(CC2c3ccccc3Sc4ccccc24)C1","MJFJKKXQDNNUJF-UHFFFAOYSA-N",4167,NA,"PDBC01478",NA,"Absent",NA,NA
+"1479","Tiaprofenic acid",NA,NA,NA,NA,NA,NA,"tiaprofenic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C(=O)O)c1ccc(s1)C(=O)c2ccccc2","GUHPRPJDBZHYCJ-UHFFFAOYSA-N",5468,NA,"PDBC01479",NA,"Absent",NA,NA
+"1480","Etifenin",NA,NA,NA,NA,NA,NA,"etifenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCc1cccc(CC)c1NC(=O)CN(CC(=O)O)CC(=O)O","WNIDXAKKFOKNEF-UHFFFAOYSA-N",170344,NA,"PDBC01480",NA,"Absent",NA,NA
+"1481","Norcyclobenzaprine",NA,NA,NA,NA,NA,NA,"norcyclobenzaprine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNCCC=C1c2ccccc2C=Cc3ccccc13","XECQQDXTQRYYBH-UHFFFAOYSA-N",9918,NA,"PDBC01481",NA,"Absent",NA,NA
+"1482","Imipenem",NA,NA,NA,NA,NA,NA,"imipenem",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"imipenem (usan)",NA,"C[C@@H](O)[C@H]1[C@@H]2CC(=C(N2C1=O)C(=O)O)SCCNC=N","ZSKVGTPCRGIANV-ZXFLCMHBSA-N",104838,TRUE,"PDBC01482","759901","Present",NA,NA
+"1483","Glycocholic acid",NA,NA,NA,NA,NA,NA,"glycocholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C","RFDAIACWWDREDC-FRVQLJSFSA-N",10140,NA,"PDBC01483",NA,"Absent",NA,NA
+"1484","L-Methionine sulfoximine",NA,NA,NA,NA,NA,NA,"L-methionine sulfoximine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[S+](=N)([O-])CC[C@H](N)C(=O)O","SXTAYKAGBXMACB-DPVSGNNYSA-N",6992000,NA,"PDBC01484",NA,"Absent",NA,NA
+"1485","Triflusal",NA,NA,NA,NA,NA,NA,"triflusal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)Oc1cc(ccc1C(=O)O)C(F)(F)F","RMWVZGDJPAKBDE-UHFFFAOYSA-N",9458,NA,"PDBC01485",NA,"Absent",NA,NA
+"1486","Trolox",NA,NA,NA,NA,NA,NA,"Trolox C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trolox","Cc1c(C)c2OC(C)(CC(=O)O)CCc2c(C)c1O","GLEVLJDDWXEYCO-UHFFFAOYSA-N",40634,NA,"PDBC01486",NA,"Present",NA,NA
+"1487","Pirenperone",NA,NA,NA,NA,NA,NA,"pirenperone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pirenperone","Cc1nc2ccccn2c(=O)c1CCN3CCC(CC3)C(=O)c4ccc(F)cc4","HXCNRYXBZNHDNE-UHFFFAOYSA-N",4847,NA,"PDBC01487",NA,"Present",NA,NA
+"1488","salsolidin",NA,NA,NA,NA,NA,NA,"salsolidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc2CCNC(C)c2cc1OC","HMYJLVDKPJHJCF-UHFFFAOYSA-N",10302,NA,"PDBC01488",NA,"Absent",NA,NA
+"1489","Phenacetin",NA,NA,NA,NA,NA,NA,"phenacetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOc1ccc(NC(=O)C)cc1","CPJSUEIXXCENMM-UHFFFAOYSA-N",4754,NA,"PDBC01489",NA,"Absent",NA,NA
+"1490","Thiocolchicoside",NA,NA,NA,NA,NA,NA,"thiocolchicoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiocolchicoside","COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc3CCC(NC(=O)C)c4cc(=O)c(SC)ccc4-c3c1OC","LEQAKWQJCITZNK-ASKLJRATSA-N",71752520,NA,"PDBC01490",NA,"Present",NA,NA
+"1491","Clorsulon",NA,NA,NA,NA,NA,NA,"clorsulon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N","QOVTVIYTBRHADL-UHFFFAOYSA-N",43231,NA,"PDBC01491",NA,"Absent",NA,NA
+"1492","Pregnenolone",NA,NA,NA,NA,NA,NA,"pregnenolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)[C@H]1CCC2C3CC=C4C[C@@H](O)CC[C@]4(C)C3CC[C@]12C","ORNBQBCIOKFOEO-QGVNFLHTSA-N",8955,NA,"PDBC01492",NA,"Absent",NA,NA
+"1493","Prestwick-559",NA,NA,NA,NA,NA,NA,"Prestwick-559",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccccc1N2CCN(CCCCNC(=O)c3ccc4ccccc4c3)CC2",NA,NA,NA,"PDBC01493",NA,"Absent",NA,NA
+"1494","Prenylamine",NA,NA,NA,NA,NA,NA,"prenylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prenylamine lactate",NA,NA,"CC(Cc1ccccc1)NCCC(c2ccccc2)c3ccccc3","IFFPICMESYHZPQ-UHFFFAOYSA-N",9801,NA,"PDBC01494",NA,"Absent",NA,NA
+"1495","Dihydroergocristine",NA,NA,NA,NA,NA,NA,"dihydroergocristine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dihydroergocristine","CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O","DEQITUUQPICUMR-HJPBWRTMSA-N",107715,NA,"PDBC01495",NA,"Present",NA,NA
+"1496","Syrosingopine",NA,NA,NA,NA,NA,NA,"syrosingopine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ipores",NA,"CCOC(=O)Oc1c(OC)cc(cc1OC)C(=O)O[C@@H]2C[C@@H]3CN4CCc5c([nH]c6cc(OC)ccc56)[C@H]4C[C@@H]3[C@@H]([C@H]2OC)C(=O)OC","ZCDNRPPFBQDQHR-SSYATKPKSA-N",6769,NA,"PDBC01496","77030","Present",NA,NA
+"1497","Physostigmine",NA,NA,NA,NA,NA,NA,"physostigmine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNC(=O)Oc1ccc2N(C)[C@H]3N(C)CC[C@@]3(C)c2c1","PIJVFDBKTWXHHD-HIFRSBDPSA-N",5983,NA,"PDBC01497",NA,"Absent",NA,NA
+"1498","Aconitine",NA,NA,NA,NA,NA,NA,"aconitine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aconitine",NA,"CCN1C[C@@]2(COC)C3[C@@H](OC)[C@H]4C1[C@@]3(C5C[C@@]6(O)[C@H](OC(=O)c7ccccc7)C5[C@]4(OC(=O)C)[C@@H](O)[C@@H]6OC)C(C[C@H]2O)OC","XFSBVAOIAHNAPC-XTHSEXKGSA-N",245005,NA,"PDBC01498","56464","Present",NA,NA
+"1499","co-dergocrine mesilate",NA,NA,NA,NA,NA,NA,"co-dergocrine mesilate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](C)N6C1=O","PBKVEOSEPXMKDN-LZHUFOCISA-N",71717894,NA,"PDBC01499",NA,"Absent",NA,NA
+"1500","Emetine",NA,NA,NA,NA,NA,NA,"emetine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"emetine","emetine","CC[C@H]1CN2CCc3cc(OC)c(OC)cc3C2C[C@@H]1CC4NCCc5cc(OC)c(OC)cc45","AUVVAXYIELKVAI-CKBKHPSWSA-N",10219,NA,"PDBC01500","756754///33669","Present",NA,NA
+"1501","Tomatidine",NA,NA,NA,NA,NA,NA,"tomatidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]61CC[C@H](C)CN6","XYNPYHXGMWJBLV-VXPJTDKGSA-N",65576,NA,"PDBC01501",NA,"Absent",NA,NA
+"1502","Rauwolscine",NA,NA,NA,NA,NA,NA,"alpha-yohimbine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12","BLGXFZZNTVWLAY-DIRVCLHFSA-N",643606,NA,"PDBC01502",NA,"Absent",NA,NA
+"1503","Corynanthine",NA,NA,NA,NA,NA,NA,"corynanthine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)[C@@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12","BLGXFZZNTVWLAY-DKJBZYCGSA-N",92766,NA,"PDBC01503",NA,"Absent",NA,NA
+"1504","Palmatine",NA,NA,NA,NA,NA,NA,"palmatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Palmatine chloride","palmatine-chloride","COc1ccc2cc3-c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC","QUCQEUCGKKTEBI-UHFFFAOYSA-N",19009,NA,"PDBC01504","209407","Present",NA,NA
+"1505","Trimethylcolchicinic acid",NA,NA,NA,NA,NA,NA,"trimethylcolchicinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc2CC[C@H](N)c3cc(=O)c(O)ccc3-c2c(OC)c1OC","IRVWPZRYDQROLU-ZDUSSCGKSA-N",28248405,NA,"PDBC01505",NA,"Absent",NA,NA
+"1506","Hydrastine hydrochloride",NA,NA,NA,NA,NA,NA,"hydrastine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34","URBFHJWLYXILMP-VOMIJIAVSA-N",197834,NA,"PDBC01506",NA,"Absent",NA,NA
+"1507","Lobelanidine",NA,NA,NA,NA,NA,NA,"lobelanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C(CC(O)c2ccccc2)CCCC1CC(O)c3ccccc3","OWGJQNXIWMMDTH-UHFFFAOYSA-N",96946,NA,"PDBC01507",NA,"Absent",NA,NA
+"1508","Chelidonine",NA,NA,NA,NA,NA,NA,"(+)-chelidonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chelidonine",NA,"CN1Cc2c3OCOc3ccc2C4C(O)Cc5cc6OCOc6cc5C41","GHKISGDRQRSCII-ZOCIIQOWSA-N",197810,NA,"PDBC01508","406034","Present",NA,NA
+"1509","Bicuculline",NA,NA,NA,NA,NA,NA,"bicuculline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCc2cc3OCOc3cc2[C@H]1[C@@H]4OC(=O)c5c6OCOc6ccc45","IYGYMKDQCDOMRE-ZWKOTPCHSA-N",10237,NA,"PDBC01509",NA,"Absent",NA,NA
+"1510","Yohimbic Acid",NA,NA,NA,NA,NA,NA,"yohimbic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)O","AADVZSXPNRLYLV-GKMXPDSGSA-N",72131,NA,"PDBC01510",NA,"Absent",NA,NA
+"1511","Laudanosine",NA,NA,NA,NA,NA,NA,"laudanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1OC","KGPAYJZAMGEDIQ-UHFFFAOYSA-N",15548,NA,"PDBC01511",NA,"Absent",NA,NA
+"1512","Ajmalicine",NA,NA,NA,NA,NA,NA,"raubasine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GRTOGORTSDXSFK-XJTZBENFSA-N",441975,NA,"PDBC01512",NA,"Absent",NA,NA
+"1513","Tetrahydroalstonine",NA,NA,NA,NA,NA,NA,"tetrahydroalstonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrahydroalstonine",NA,NA,"GRTOGORTSDXSFK-UHFFFAOYSA-N",72340,NA,"PDBC01513","72115","Present",NA,NA
+"1514","Unii-F62N8qpr7V",NA,NA,NA,NA,NA,NA,"calycanthine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CALYCANTHINE",NA,"CN1CC[C@]23[C@@H]4Nc5ccccc5[C@]3(CCN4C)[C@@H]1Nc6ccccc62","XSYCDVWYEVUDKQ-UHFFFAOYSA-N",264115,NA,"PDBC01514","99016","Present",NA,NA
+"1515","Convolamine",NA,NA,NA,NA,NA,NA,"convolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(cc1OC)C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C","AEFPCFUCFQBXDQ-UHFFFAOYSA-N",420422,NA,"PDBC01515",NA,"Absent",NA,NA
+"1516","Isocorydine",NA,NA,NA,NA,NA,NA,"isocorydine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QELDJEKNFOQJOY-ZDUSSCGKSA-N",10143,NA,"PDBC01516",NA,"Absent",NA,NA
+"1517","Seneciphylline",NA,NA,NA,NA,NA,NA,"seneciphylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jacodine",NA,"C/C=C\1/CC(=C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32","FCEVNJIUIMLVML-QPSVUOIXSA-N",5281750,NA,"PDBC01517","30622","Present",NA,NA
+"1518","Boldine",NA,NA,NA,NA,NA,NA,"boldine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc-2c(C[C@@H]3N(C)CCc4cc(O)c(OC)c2c34)cc1O","LZJRNLRASBVRRX-ZDUSSCGKSA-N",10154,NA,"PDBC01518",NA,"Absent",NA,NA
+"1519","(S)-Scoulerine",NA,NA,NA,NA,NA,NA,"scoulerine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2C[C@@H]3N(CCc4cc(OC)c(O)cc34)Cc2c1O","KNWVMRVOBAFFMH-UHFFFAOYSA-N",22955,NA,"PDBC01519",NA,"Absent",NA,NA
+"1520","Monocrotaline",NA,NA,NA,NA,NA,NA,"monocrotaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1C(=O)O[C@@H]2CCN3CC=C(COC(=O)[C@](C)(O)[C@]1(C)O)[C@H]23","QVCMHGGNRFRMAD-XFGHUUIASA-N",9415,NA,"PDBC01520",NA,"Absent",NA,NA
+"1521","Hydrocotarnine",NA,NA,NA,NA,NA,NA,"hydrocotarnine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1c2OCOc2cc3CCN(C)Cc13","XXANNZJIZQTCBP-UHFFFAOYSA-N",3646,NA,"PDBC01521",NA,"Absent",NA,NA
+"1522","Cinchonidine",NA,NA,NA,NA,NA,NA,"cinchonidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cinchonidine",NA,"C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O","KMPWYEUPVWOPIM-UHFFFAOYSA-N",2757,NA,"PDBC01522","5364","Present",NA,NA
+"1523","Vinburnine",NA,NA,NA,NA,NA,NA,"vinburnine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eburnamonine (-)","(-)-Eburnamonine",NA,"CC[C@]1(CCCN2CCc3c4[C@@H]21)CC(=O)n4c5ccccc35","WYJAPUKIYAZSEM-MOPGFXCFSA-N",71203,NA,"PDBC01523","322920","Present",NA,NA
+"1524","L-Canavanine",NA,NA,NA,NA,NA,NA,"canavanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N[C@@H](CCONC(=N)N)C(=O)O","FSBIGDSBMBYOPN-VKHMYHEASA-N",439202,NA,"PDBC01524",NA,"Absent",NA,NA
+"1525","Harmaline",NA,NA,NA,NA,NA,NA,"harmaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2c3CCN=C(C)c3[nH]c2c1","QJOZJXNKVMFAET-UHFFFAOYSA-N",5280951,NA,"PDBC01525",NA,"Absent",NA,NA
+"1526","Harmalol",NA,NA,NA,NA,NA,NA,"harmalol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1=NCCc2c1[nH]c3cc(O)ccc23","CRQDWQWZCNKKAC-UHFFFAOYSA-N",5353656,NA,"PDBC01526",NA,"Absent",NA,NA
+"1527","Harmol",NA,NA,NA,NA,NA,NA,"harmol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1nccc2c3ccc(O)cc3[nH]c12","LBBJNGFCXDOYMQ-UHFFFAOYSA-N",68094,NA,"PDBC01527",NA,"Absent",NA,NA
+"1528","Harmine",NA,NA,NA,NA,NA,NA,"harmine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2c(c1)[nH]c3c(C)nccc23","BXNJHAXVSOCGBA-UHFFFAOYSA-N",5280953,NA,"PDBC01528",NA,"Absent",NA,NA
+"1529","Ellipticine",NA,NA,NA,NA,NA,NA,"ellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ELLIPTICINE///ellipticine",NA,"Cc1c2[nH]c3ccccc3c2c(C)c4cnccc14","CTSPAMFJBXKSOY-UHFFFAOYSA-N",3213,NA,"PDBC01529","71795///637651///627505","Present",NA,NA
+"1530","1,4-chrysenequinone",NA,NA,NA,NA,NA,NA,"1,4-chrysenequinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C1C=CC(=O)c2c1ccc3c2ccc4ccccc43","UORKIKBNUWJNJF-UHFFFAOYSA-N",180933,NA,"PDBC01530",NA,"Absent",NA,NA
+"1531","Quipazine",NA,NA,NA,NA,NA,NA,"quipazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CN(CCN1)c2ccc3ccccc3n2","XRXDAJYKGWNHTQ-UHFFFAOYSA-N",5011,NA,"PDBC01531",NA,"Absent",NA,NA
+"1532","Sparteine",NA,NA,NA,NA,NA,NA,"sparteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CCN2C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]2C1","SLRCCWJSBJZJBV-ZQDZILKHSA-N",644020,NA,"PDBC01532",NA,"Absent",NA,NA
+"1533","Harman",NA,NA,NA,NA,NA,NA,"harman",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1nccc2c3ccccc3[nH]c12","PSFDQSOCUJVVGF-UHFFFAOYSA-N",5281404,NA,"PDBC01533",NA,"Absent",NA,NA
+"1534","Stachydrine",NA,NA,NA,NA,NA,NA,"stachydrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stachydrine",NA,"C[N+]1(C)CCC[C@H]1C(=O)O","CMUNUTVVOOHQPW-LURJTMIESA-N",115244,NA,"PDBC01534","655263","Present",NA,NA
+"1535","Cytisine",NA,NA,NA,NA,NA,NA,"cytisine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CYTISINE///tabex",NA,"O=c1cccc2C3CNC[C@@H](C3)Cn21","ANJTVLIZGCUXLD-DTWKUNHWSA-N",10235,NA,"PDBC01535","685524///407282","Present",NA,NA
+"1536","pseudopelletierine",NA,NA,NA,NA,NA,NA,"pseudopelletierine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C2CCCC1CC(=O)C2","RHWSKVCZXBAWLZ-UHFFFAOYSA-N",11096,NA,"PDBC01536",NA,"Absent",NA,NA
+"1537","Salsolinol",NA,NA,NA,NA,NA,NA,"salsolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H]1NCCc2cc(O)c(O)cc12","IBRKLUSXDYATLG-LURJTMIESA-N",91588,NA,"PDBC01537",NA,"Absent",NA,NA
+"1538","Gramine",NA,NA,NA,NA,NA,NA,"gramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)Cc1c[nH]c2ccccc12","OCDGBSUVYYVKQZ-UHFFFAOYSA-N",6890,NA,"PDBC01538",NA,"Absent",NA,NA
+"1539","Dimethisoquin",NA,NA,NA,NA,NA,NA,"quinisocaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethisoquin","CCCCc1cc2ccccc2c(OCCN(C)C)n1","XNMYNYSCEJBRPZ-UHFFFAOYSA-N",6857,NA,"PDBC01539",NA,"Present",NA,NA
+"1540","Thiamine",NA,NA,NA,NA,NA,NA,"thiamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiamine","Cc1c(CCO)sc[n+]1Cc2cnc(C)nc2N","MYVIATVLJGTBFV-UHFFFAOYSA-M",23423984,TRUE,"PDBC01540",NA,"Present",NA,NA
+"1541","Thiorphan",NA,NA,NA,NA,NA,NA,"DL-thiorphan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DL-Thiorphan",NA,"OC(=O)CNC(=O)C(CS)Cc1ccccc1","LJJKNPQAGWVLDQ-UHFFFAOYSA-N",3132,NA,"PDBC01541","727676","Present",NA,NA
+"1542","Dihydroquinine",NA,NA,NA,NA,NA,NA,"hydroquinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[C@H]1CN2CCC1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34","LJOQGZACKSYWCH-WZBLMQSHSA-N",121515,NA,"PDBC01542",NA,"Absent",NA,NA
+"1543","Epivincamine",NA,NA,NA,NA,NA,NA,"epivincamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O","RXPRRQLKFXBCSJ-UHFFFAOYSA-N",637570,NA,"PDBC01543",NA,"Absent",NA,NA
+"1544","Retrorsine",NA,NA,NA,NA,NA,NA,"retrorsine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C/C=C\1/C[C@@H](C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@H]32","BCJMNZRQJAVDLD-CQRYIUNCSA-N",5281743,NA,"PDBC01544",NA,"Absent",NA,NA
+"1545","Conessine",NA,NA,NA,NA,NA,NA,"conessine///Prestwick-692",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1[C@H]2CCC3C4CC=C5C[C@H](CC[C@]5(C)C4CC[C@]23CN1C)N(C)C","GPLGAQQQNWMVMM-MYAJQUOBSA-N",441082,NA,"PDBC01545",NA,"Absent",NA,NA
+"1546","Protoveratrine A",NA,NA,NA,NA,NA,NA,"protoveratrine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(C)C(=O)O[C@H]1[C@H](O)C2C(CN3CC(C)CCC3[C@@]2(C)O)C4C[C@]5(O[C@@]6(O)C7[C@@H](OC(=O)C)[C@@H](OC(=O)C)C5[C@@]41O)[C@@]7(C)CCC6OC(=O)C(C)(O)CC","HYTGGNIMZXFORS-MGYKWWNKSA-N",8931,NA,"PDBC01546",NA,"Absent",NA,NA
+"1547","Solanine",NA,NA,NA,NA,NA,NA,"solanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"solanine",NA,"C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]6(C[C@@H](O[C@@H]7OC(CO)[C@@H](O)[C@@H](O)C7O)[C@@H](O)C(CO)O6)O[C@H]8OC(C)[C@H](O)[C@H](O)C8O)N9C[C@@H](C)CC[C@H]19","ZGVSETXHNHBTRK-UDJLNJFBSA-N",9549171,NA,"PDBC01547","96019","Present",NA,NA
+"1548","Helveticoside",NA,NA,NA,NA,NA,NA,"helveticoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)OC2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C6=CC(=O)OC6","QBILRDAMJUPXCX-AGAUEGNUSA-N",441860,NA,"PDBC01548",NA,"Absent",NA,NA
+"1549","Myosmine",NA,NA,NA,NA,NA,NA,"myosmine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CN=C(C1)c2cccnc2","DPNGWXJMIILTBS-UHFFFAOYSA-N",442649,NA,"PDBC01549",NA,"Absent",NA,NA
+"1550","Betonicine",NA,NA,NA,NA,NA,NA,"betonicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[N+]1(C)C[C@@H](O)C[C@H]1C(=O)O","MUNWAHDYFVYIKH-RITPCOANSA-N",164642,NA,"PDBC01550",NA,"Absent",NA,NA
+"1551","Etanidazole",NA,NA,NA,NA,NA,NA,"etanidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ETANIDAZOLE",NA,"OCCNC(=O)Cn1ccnc1[N+](=O)[O-]","WCDWBPCFGJXFJZ-UHFFFAOYSA-N",3276,NA,"PDBC01551","301467","Present",NA,NA
+"1552","Picrotoxinin",NA,NA,NA,NA,NA,NA,"picrotoxinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=C)[C@@H]1[C@H]2OC(=O)[C@@H]1[C@]3(O)C[C@H]4O[C@]45C(=O)O[C@H]2[C@@]53C","PIMZUZSSNYHVCU-YKWPQBAZSA-N",442292,NA,"PDBC01552",NA,"Absent",NA,NA
+"1553","Lanatoside C",NA,NA,NA,NA,NA,NA,"lanatoside C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LANATOSIDE C","lanatoside-c","C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](OC(=O)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](C)O3)[C@@H](C)O2)O[C@H]5CC[C@@]6(C)C(CCC7C6C[C@@H](O)[C@]8(C)[C@H](CC[C@]78O)C9=CC(=O)OC9)C5","JAYAGJDXJIDEKI-PTGWOZRBSA-N",656630,NA,"PDBC01553","759630","Present",NA,NA
+"1554","Benzamil",NA,NA,NA,NA,NA,NA,"benzamil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorbenzamil",NA,NA,"Nc1nc(N)c(nc1Cl)C(=O)NC(=N)NCc2ccccc2","KXDROGADUISDGY-UHFFFAOYSA-N",108107,NA,"PDBC01554",NA,"Absent",NA,NA
+"1555","Kinetin",NA,NA,NA,NA,NA,NA,"kinetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(Nc1ncnc2[nH]cnc12)c3ccco3","QANMHLXAZMSUEX-UHFFFAOYSA-N",3830,NA,"PDBC01555",NA,"Absent",NA,NA
+"1556","abamectin",NA,NA,NA,NA,NA,NA,"abamectin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC1OC2(C[C@@H]3CC(C/C=C(/C)\C(O[C@@H]4C[C@@H](C)C(O[C@H]5C[C@H](OC)C(O)[C@H](C)O5)[C@H](C4)OC)C(C)\C=C/C=C\6/COC7C6[C@@H](C=C(C)[C@H]7O)C(=O)O3)O2)C=CC1C","RRZXIRBKKLTSOM-XPNPUAGNSA-N",6434889,NA,"PDBC01556",NA,"Absent",NA,NA
+"1557","Vitexin",NA,NA,NA,NA,NA,NA,"vitexin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC[C@H]1OC([C@H](O)[C@@H](O)[C@@H]1O)c2c(O)cc(O)c3c(=O)cc(oc23)c4ccc(O)cc4","SGEWCQFRYRRZDC-VPRICQMDSA-N",5280441,NA,"PDBC01557",NA,"Absent",NA,NA
+"1558","Gelsemin",NA,NA,NA,NA,NA,NA,"gelsemine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gelsemin",NA,"CN1C[C@@]2(C=C)C3CC4OC[C@@H]3[C@@H]1[C@H]2[C@@]45C(=O)Nc6ccccc65","NFYYATWFXNPTRM-UHFFFAOYSA-N",279057,NA,"PDBC01558","21729","Present",NA,NA
+"1559","Solasodine",NA,NA,NA,NA,NA,NA,"solasodine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)O[C@@]61CCC(C)CN6","KWVISVAMQJWJSZ-VKROHFNGSA-N",442985,NA,"PDBC01559",NA,"Absent",NA,NA
+"1560","Prestwick-664",NA,NA,NA,NA,NA,NA,"Prestwick-664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1C[C@]2(COC)CC[C@H](OC)[C@]3(C4C[C@H]5[C@H](OC)C4C6(C[C@@H]5OC)OCO[C@@]76[C@@H](O)C32)[C@@H]17",NA,NA,NA,"PDBC01560",NA,"Absent",NA,NA
+"1561","2,6-dimethylpiperidine",NA,NA,NA,NA,NA,NA,"2,6-dimethylpiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1CCC[C@@H](C)N1","SDGKUVSVPIIUCF-UHFFFAOYSA-N",68843,NA,"PDBC01561",NA,"Absent",NA,NA
+"1562","Foliosidine",NA,NA,NA,NA,NA,NA,"foliosidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc(=O)n(C)c2c(OCC(O)C(C)(C)O)cccc12","IUPYLWAXGAJZQC-UHFFFAOYSA-N",2837663,NA,"PDBC01562",NA,"Absent",NA,NA
+"1563","Skimmianine",NA,NA,NA,NA,NA,NA,"skimmianine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2c(OC)c3ccoc3nc2c1OC","SLSIBLKBHNKZTB-UHFFFAOYSA-N",6760,NA,"PDBC01563",NA,"Absent",NA,NA
+"1564","Anabasine",NA,NA,NA,NA,NA,NA,"anabasine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CCC(NC1)c2cccnc2","MTXSIJUGVMTTMU-UHFFFAOYSA-N",2181,NA,"PDBC01564",NA,"Absent",NA,NA
+"1565","Tetrandrine",NA,NA,NA,NA,NA,NA,"tetrandrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrandrine","DL-Tetrandine///tetrandrin","tetrandrine","COc1cc2CCN(C)[C@H]3Cc4ccc(OC)c(Oc5ccc(C[C@@H]6N(C)CCc7cc(OC)c(Oc(c1OC)c32)cc67)cc5)c4","WVTKBKWTSCPRNU-KYJUHHDHSA-N",73078,NA,"PDBC01565","91771///77037","Present",NA,NA
+"1566","Canadine",NA,NA,NA,NA,NA,NA,"canadine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dl-canadine///canadin",NA,"COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC","VZTUIEROBZXUFA-UHFFFAOYSA-N",34458,NA,"PDBC01566","36351///94918","Present",NA,NA
+"1567","Deltamine 6-acetate",NA,NA,NA,NA,NA,NA,"eldeline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1C[C@]2(C)CC[C@H](OC)[C@@]34C2[C@H](OC(=O)C)C5(OCO[C@]65C[C@H](OC)C7C[C@]4(O)C6[C@H]7OC)[C@@H]13","DTTPWCNKTMQMTE-DZZCPBQSSA-N",441728,NA,"PDBC01567",NA,"Absent",NA,NA
+"1568","Prestwick-674",NA,NA,NA,NA,NA,NA,"Prestwick-674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cn1c(cc(=O)c2ccccc12)c3ccc4OCOc4c3",NA,NA,NA,"PDBC01568",NA,"Absent",NA,NA
+"1569","Prestwick-675",NA,NA,NA,NA,NA,NA,"Prestwick-675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCC2=C[C@@H](O)[C@@H]3OC(=O)c4cc5OCOc5cc4C3[C@@H]12",NA,NA,NA,"PDBC01569",NA,"Absent",NA,NA
+"1570","Ricinine",NA,NA,NA,NA,NA,NA,"ricinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccn(C)c(=O)c1C#N","PETSAYFQSGAEQY-UHFFFAOYSA-N",10666,NA,"PDBC01570",NA,"Absent",NA,NA
+"1571","Delsoline",NA,NA,NA,NA,NA,NA,"delsoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1C[C@]2(COC)CC[C@H](O)[C@]3([C@@H]4C[C@H]5[C@H](OC)[C@@H]4[C@](O)(C[C@@H]5OC)[C@@]6(O)[C@@H](OC)[C@@H]32)C16","JVBLTQQBEQQLEV-YAEAOFIFSA-N",441727,NA,"PDBC01571",NA,"Absent",NA,NA
+"1572","C-Fluorocurarine",NA,NA,NA,NA,NA,NA,"fluorocurarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C/C=C\1/C[N@@+]2(C)CCC34[C@@H]2C[C@@H]1C(=C4Nc5ccccc53)C=O","ZEMNDQUOMWGCAZ-CVPVZSHVSA-O",201810,NA,"PDBC01572",NA,"Absent",NA,NA
+"1573","Austricin",NA,NA,NA,NA,NA,NA,"hydroxyachillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1[C@H]2[C@H](OC1=O)[C@H]3C(=CC(=O)C3=C(C)C[C@@H]2O)C","YMUOZXZDDBRJEP-UHFFFAOYSA-N",99114,NA,"PDBC01573",NA,"Absent",NA,NA
+"1574","Pempidine",NA,NA,NA,NA,NA,NA,"pempidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C(C)(C)CCCC1(C)C.OC(C(O)C(=O)O)C(=O)O","XULIXFLCVXWHRF-UHFFFAOYSA-N",6603,NA,"PDBC01574",NA,"Absent",NA,NA
+"1575","Heliotrine",NA,NA,NA,NA,NA,NA,"heliotrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Heliotrine",NA,"CO[C@H](C)C(O)(C(C)C)C(=O)OCC1=CCN2CC[C@H](O)[C@H]21","LMFKRLGHEKVMNT-UJDVCPFMSA-N",906426,NA,"PDBC01575","30620","Present",NA,NA
+"1576","Karacoline",NA,NA,NA,NA,NA,NA,"karakoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]4C[C@H]5C(O)[C@@H]4[C@](O)(C[C@@H]5OC)[C@H]6C[C@@H]32)C61","HKQZUYOVMYOFIT-VHNBHZRZSA-N",441742,NA,"PDBC01576",NA,"Absent",NA,NA
+"1577","Napelline",NA,NA,NA,NA,NA,NA,"napelline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1C[C@]2(C)CC[C@H](O)[C@]3([C@@H]2C[C@H]4C13)[C@@H]5C[C@H](O)[C@H]6C[C@]45[C@H](O)C6=C",NA,16394550,NA,"PDBC01577",NA,"Absent",NA,NA
+"1578","Prestwick-691",NA,NA,NA,NA,NA,NA,"Prestwick-691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc(ccc1O)C(=O)OC2CC3CCC(C2)N3C",NA,NA,NA,"PDBC01578",NA,"Absent",NA,NA
+"1579","Promazine",NA,NA,NA,NA,NA,NA,"promazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCCN1c2ccccc2Sc3ccccc13","ZGUGWUXLJSTTMA-UHFFFAOYSA-N",4926,TRUE,"PDBC01579",NA,"Absent",NA,NA
+"1580","Etiocholanolone",NA,NA,NA,NA,NA,NA,"etiocholanolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12CCC3C(CC[C@@H]4C[C@H](O)CC[C@@]43C)C2CCC1=O","QGXBDMJGAMFCBF-BNSUEQOYSA-N",5880,NA,"PDBC01580",NA,"Absent",NA,NA
+"1581","Dihydrodiethylstilbestrol",NA,NA,NA,NA,NA,NA,"hexestrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCC(C(CC)c1ccc(O)cc1)c2ccc(O)cc2","PBBGSZCBWVPOOL-UHFFFAOYSA-N",3606,NA,"PDBC01581",NA,"Absent",NA,NA
+"1582","Trihexyphenidyl",NA,NA,NA,NA,NA,NA,"trihexyphenidyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(CCN1CCCCC1)(C2CCCCC2)c3ccccc3","HWHLPVGTWGOCJO-UHFFFAOYSA-N",5572,TRUE,"PDBC01582",NA,"Absent",NA,NA
+"1583","Succinylsulfathiazole",NA,NA,NA,NA,NA,NA,"succinylsulfathiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)CCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2nccs2","SKVLYVHULOWXTD-UHFFFAOYSA-N",5315,NA,"PDBC01583",NA,"Absent",NA,NA
+"1584","Methylbenzethonium chloride",NA,NA,NA,NA,NA,NA,"methylbenzethonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methylbenzethonium chloride (usan)",NA,"Cc1cc(ccc1OCCOCC[N+](C)(C)Cc2ccccc2)C(C)(C)CC(C)(C)C","QWZLBLDNRUUYQI-UHFFFAOYSA-M",5702238,NA,"PDBC01584","758427","Present",NA,NA
+"1585","Chlorcyclizine",NA,NA,NA,NA,NA,NA,"chlorcyclizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCN(CC1)C(c2ccccc2)c3ccc(Cl)cc3","WFNAKBGANONZEQ-UHFFFAOYSA-N",2710,NA,"PDBC01585",NA,"Absent",NA,NA
+"1586","Strophanthidin",NA,NA,NA,NA,NA,NA,"strophanthidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cynotoxin","k-strophanthidin","C[C@@]12CCC3C(CC[C@]4(O)C[C@@H](O)CC[C@]34C=O)[C@@]2(O)CCC1C5=CC(=O)OC5","ODJLBQGVINUMMR-HZXDTFASSA-N",6185,NA,"PDBC01586","86078","Present",NA,NA
+"1587","Sulfabenzamide",NA,NA,NA,NA,NA,NA,"sulfabenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sulfabenzamide","Nc1ccc(cc1)S(=O)(=O)NC(=O)c2ccccc2","PBCZLFBEBARBBI-UHFFFAOYSA-N",5319,TRUE,"PDBC01587",NA,"Present",NA,NA
+"1588","Dipyrone",NA,NA,NA,NA,NA,NA,"metamizole sodium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dipyrone",NA,NA,"CN(CS(=O)(=O)O)c1c(C)n(C)n(c2ccccc2)c1=O","DJGAAPFSPWAYTJ-UHFFFAOYSA-M",522325,NA,"PDBC01588",NA,"Absent",NA,NA
+"1589","Althiazide",NA,NA,NA,NA,NA,NA,"altizide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NS(=O)(=O)c1cc2c(NC(CSCC=C)NS2(=O)=O)cc1Cl","VGLGVJVUHYTIIU-UHFFFAOYSA-N",2122,NA,"PDBC01589",NA,"Absent",NA,NA
+"1590","Ramifenazone",NA,NA,NA,NA,NA,NA,"ramifenazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopyrin hydrochloride",NA,"ramifenazone","CC(C)Nc1c(C)n(C)n(c2ccccc2)c1=O","XOZLRRYPUKAKMU-UHFFFAOYSA-N",5037,NA,"PDBC01590",NA,"Present",NA,NA
+"1591","Sulfamethoxypyridazine",NA,NA,NA,NA,NA,NA,"sulfamethoxypyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1","VLYWMPOKSSWJAL-UHFFFAOYSA-N",5330,NA,"PDBC01591",NA,"Absent",NA,NA
+"1592","alpha-Ergocryptine",NA,NA,NA,NA,NA,NA,"alpha-ergocryptine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C","YDOTUXAWKBPQJW-NSLWYYNWSA-N",134551,NA,"PDBC01592",NA,"Absent",NA,NA
+"1593","Hecogenin",NA,NA,NA,NA,NA,NA,"hecogenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1C2C(CC3C4CC[C@H]5C[C@@H](O)CC[C@]5(C)C4CC(=O)[C@]23C)OC61CCC(C)CO6","QOLRLLFJMZLYQJ-LOBDNJQFSA-N",91453,NA,"PDBC01593",NA,"Absent",NA,NA
+"1594","Potassium atractylate",NA,NA,NA,NA,NA,NA,"atractyloside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)CC(=O)OC1C(O[C@@H]2C[C@H]([C@H]3CC[C@]4(C[C@@H]5CC[C@H]4[C@]3(C)C2)[C@@H](O)C5=C)C(=O)O)OC(CO)C(OS(=O)(=O)O)C1OS(=O)(=O)O","IUCNQFHEWLYECJ-UAPRPQGYSA-L",5702200,NA,"PDBC01594",NA,"Absent",NA,NA
+"1595","Nadide",NA,NA,NA,NA,NA,NA,"nadide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nadide","NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O","BAWFJGJZGIEFAR-NNYOXOHSSA-N",10897651,NA,"PDBC01595",NA,"Present",NA,NA
+"1596","mevalolactone",NA,NA,NA,NA,NA,NA,"mevalolactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]1(O)CCOC(=O)C1","JYVXNLLUYHCIIH-UHFFFAOYSA-N",10428,NA,"PDBC01596",NA,"Absent",NA,NA
+"1597","Ribostamycin",NA,NA,NA,NA,NA,NA,"ribostamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC[C@H]1O[C@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)C2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)[C@H](N)[C@@H](O)[C@@H]1O","NSKGQURZWSPSBC-VVPCINPTSA-N",33042,NA,"PDBC01597",NA,"Absent",NA,NA
+"1598","Pipenzolate bromide",NA,NA,NA,NA,NA,NA,"pipenzolate bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[N+]1(C)CCCC(C1)OC(=O)C(O)(c2ccccc2)c3ccccc3","XEDCWWFPZMHXCM-UHFFFAOYSA-M",657306,NA,"PDBC01598",NA,"Absent",NA,NA
+"1599","Ethoxyquin",NA,NA,NA,NA,NA,NA,"ethoxyquin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOc1ccc2NC(C)(C)C=C(C)c2c1","DECIPOUIJURFOJ-UHFFFAOYSA-N",3293,NA,"PDBC01599",NA,"Absent",NA,NA
+"1600","Alexidine",NA,NA,NA,NA,NA,NA,"alexidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alexidine","CCCCC(CC)CNC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NCC(CC)CCCC","LFVVNPBBFUSSHL-UHFFFAOYSA-N",2090,NA,"PDBC01600",NA,"Present",NA,NA
+"1601","Proadifen",NA,NA,NA,NA,NA,NA,"proadifen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCC(C(=O)OCCN(CC)CC)(c1ccccc1)c2ccccc2","SNTQPLDRUZOSDP-UHFFFAOYSA-N",4910,NA,"PDBC01601",NA,"Absent",NA,NA
+"1602","Zomepirac",NA,NA,NA,NA,NA,NA,"zomepirac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(CC(=O)O)n(C)c1C(=O)c2ccc(Cl)cc2","ZXVNMYWKKDOREA-UHFFFAOYSA-N",5733,NA,"PDBC01602",NA,"Absent",NA,NA
+"1603","merbromin",NA,NA,NA,NA,NA,NA,"merbromin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O[Hg]c1c(O)c(Br)cc2c(c3ccccc3C(=O)O)c4cc(Br)c(=O)cc4oc12","KQSRXDXJGUJRKE-UHFFFAOYSA-L",11947673,NA,"PDBC01603",NA,"Absent",NA,NA
+"1604","Eucatropine",NA,NA,NA,NA,NA,NA,"eucatropine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1C(CCC(C)(C)N1C)OC(=O)C(O)c2ccccc2","QSAVEGSLJISCDF-UHFFFAOYSA-N",7534,NA,"PDBC01604",NA,"Absent",NA,NA
+"1605","Lithocholic acid",NA,NA,NA,NA,NA,NA,"lithocholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lithocholic acid",NA,"C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C","SMEROWZSTRWXGI-HVATVPOCSA-N",9903,NA,"PDBC01605","683770","Present",NA,NA
+"1606","Piromidic acid",NA,NA,NA,NA,NA,NA,"piromidic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCCC3","RCIMBBZXSXFZBV-UHFFFAOYSA-N",4855,NA,"PDBC01606",NA,"Absent",NA,NA
+"1607","Chloropyramine",NA,NA,NA,NA,NA,NA,"chloropyramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chloropyramine","CN(C)CCN(Cc1ccc(Cl)cc1)c2ccccn2","ICKFFNBDFNZJSX-UHFFFAOYSA-N",25295,NA,"PDBC01607",NA,"Present",NA,NA
+"1608","Bergenin",NA,NA,NA,NA,NA,NA,"bergenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bergenin",NA,"COc1c(O)cc2C(=O)O[C@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3c2c1O","YWJXCIXBAKGUKZ-HJJNZUOJSA-N",66065,NA,"PDBC01608","661749","Present",NA,NA
+"1609","(+/-)-catechin",NA,NA,NA,NA,NA,NA,"(+/-)-catechin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c3ccc(O)c(O)c3","PFTAWBLQPZVEMU-DZGCQCFKSA-N",NA,NA,"PDBC01609",NA,"Absent",NA,NA
+"1610","Lasalocid",NA,NA,NA,NA,NA,NA,"lasalocid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lasalocid","lasalocid","CC[C@H](C1O[C@@](CC)(C[C@@H]1C)C2CC[C@](O)(CC)[C@H](C)O2)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc3ccc(C)c(O)c3C(=O)O","BBMULGJBVDDDNI-OWKLGTHSSA-N",5360807,NA,"PDBC01610","243046","Present",NA,NA
+"1611","Dimethadione",NA,NA,NA,NA,NA,NA,"dimethadione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)OC(=O)NC1=O","JYJFNDQBESEHJQ-UHFFFAOYSA-N",3081,NA,"PDBC01611",NA,"Absent",NA,NA
+"1612","Ethaverine",NA,NA,NA,NA,NA,NA,"ethaverine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC","ZOWYFYXTIWQBEP-UHFFFAOYSA-N",3280,NA,"PDBC01612",NA,"Absent",NA,NA
+"1613","Butacaine",NA,NA,NA,NA,NA,NA,"butacaine///Prestwick-984",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1","HQFWVSGBVLEQGA-UHFFFAOYSA-N",2480,NA,"PDBC01613",NA,"Absent",NA,NA
+"1614","Tetroquinone",NA,NA,NA,NA,NA,NA,"tetroquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC1=C(O)C(=O)C(=C(O)C1=O)O","DGQOCLATAPFASR-UHFFFAOYSA-N",5424,NA,"PDBC01614",NA,"Absent",NA,NA
+"1615","Securinine",NA,NA,NA,NA,NA,NA,"securinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"securinine","O=C1OC2(C[C@H]3C=CC2=C1)[C@H]4CCCCN34","SWZMSZQQJRKFBP-WZRBSPASSA-N",442872,NA,"PDBC01615",NA,"Present",NA,NA
+"1616","Iodixanol",NA,NA,NA,NA,NA,NA,"iodixanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)N(CC(O)CN(C(=O)C)c1c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c1I)c2c(I)c(C(=O)NC[C@@H](O)CO)c(I)c(C(=O)NC[C@@H](O)CO)c2I","NBQNWMBBSKPBAY-UHFFFAOYSA-N",3724,TRUE,"PDBC01616",NA,"Absent",NA,NA
+"1617","Prestwick-857",NA,NA,NA,NA,NA,NA,"Prestwick-857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)NC[C@@H](O)COc1cccc2C(=O)CCCc12",NA,NA,NA,"PDBC01617",NA,"Absent",NA,NA
+"1618","Prestwick-860",NA,NA,NA,NA,NA,NA,"Prestwick-860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H]1NC(=O)NC1=O",NA,NA,NA,"PDBC01618",NA,"Absent",NA,NA
+"1619","Prestwick-864",NA,NA,NA,NA,NA,NA,"Prestwick-864",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1NC(=O)NC1=O",NA,NA,NA,"PDBC01619",NA,"Absent",NA,NA
+"1620","Phthalylsulfathiazole",NA,NA,NA,NA,NA,NA,"phthalylsulfathiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)c1ccccc1C(=O)Nc2ccc(cc2)S(=O)(=O)Nc3nccs3","PBMSWVPMRUJMPE-UHFFFAOYSA-N",4806,NA,"PDBC01620",NA,"Absent",NA,NA
+"1621","Luteolin",NA,NA,NA,NA,NA,NA,"luteolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oc1cc(O)c2c(=O)cc(oc2c1)c3ccc(O)c(O)c3","IQPNAANSBPBGFQ-UHFFFAOYSA-N",5280445,NA,"PDBC01621",NA,"Absent",NA,NA
+"1622","Arcaine",NA,NA,NA,NA,NA,NA,"arcaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=N)NCCCCNC(=N)N","HGMDNMBBCKDWTQ-UHFFFAOYSA-N",2227,TRUE,"PDBC01622",NA,"Absent",NA,NA
+"1623","Digoxigenin",NA,NA,NA,NA,NA,NA,"digoxigenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"digoxigenin","C[C@]12[C@H](CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@H]1O)C5=CC(=O)OC5","SHIBSTMRCDJXLN-KCZCNTNESA-N",15478,NA,"PDBC01623",NA,"Present",NA,NA
+"1624","3-acetylcoumarin",NA,NA,NA,NA,NA,NA,"3-acetylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin, 3-acetyl-",NA,"CC(=O)c1cc2ccccc2oc1=O","CSPIFKKOBWYOEX-UHFFFAOYSA-N",77553,NA,"PDBC01624","31678","Present",NA,NA
+"1625","Butyl salicylate",NA,NA,NA,NA,NA,NA,"butyl hydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCOC(=O)c1ccc(O)cc1","YFDUWSBGVPBWKF-UHFFFAOYSA-N",16330,NA,"PDBC01625",NA,"Absent",NA,NA
+"1626","Pipemidic acid",NA,NA,NA,NA,NA,NA,"pipemidic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCn1cc(C(=O)O)c(=O)c2cnc(nc12)N3CCNCC3","JOHZPMXAZQZXHR-UHFFFAOYSA-N",4831,NA,"PDBC01626",NA,"Absent",NA,NA
+"1627","Dioxybenzone",NA,NA,NA,NA,NA,NA,"dioxybenzone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cccc(C(=O)c2ccccc2O)c1O","MEZZCSHVIGVWFI-UHFFFAOYSA-N",8569,NA,"PDBC01627",NA,"Absent",NA,NA
+"1628","Adrenosterone",NA,NA,NA,NA,NA,NA,"adrenosterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]2CCC1=O","RZRPTBIGEANTGU-IRIMSJTPSA-N",223997,NA,"PDBC01628",NA,"Absent",NA,NA
+"1629","Methylatropine nitrate",NA,NA,NA,NA,NA,NA,"atropine methonitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3","NEDVJZNVOSNSHF-UHFFFAOYSA-N",5860,NA,"PDBC01629",NA,"Absent",NA,NA
+"1630","Urapidil",NA,NA,NA,NA,NA,NA,"urapidil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccccc1N2CCN(CCCNc3cc(=O)n(C)c(=O)n3C)CC2","ICMGLRUYEQNHPF-UHFFFAOYSA-N",5639,NA,"PDBC01630",NA,"Absent",NA,NA
+"1631","Isoproterenol",NA,NA,NA,NA,NA,NA,"(+)-isoprenaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)NCC(O)c1ccc(O)c(O)c1.OC(C(O)C(=O)O)C(=O)O","JWZZKOKVBUJMES-UHFFFAOYSA-N",3779,NA,"PDBC01631",NA,"Absent",NA,NA
+"1632","2-Aminobenzenesulfonamide",NA,NA,NA,NA,NA,NA,"2-aminobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1ccccc1S(=O)(=O)N","YAZSBRQTAHVVGE-UHFFFAOYSA-N",72894,NA,"PDBC01632",NA,"Absent",NA,NA
+"1633","Lorglumide",NA,NA,NA,NA,NA,NA,"lorglumide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)c1ccc(Cl)c(Cl)c1","IEKOTSCYBBDIJC-UHFFFAOYSA-N",3960,NA,"PDBC01633",NA,"Absent",NA,NA
+"1634","Prestwick-920",NA,NA,NA,NA,NA,NA,"Prestwick-920",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC1CCCCC1N2CCC(CC2)c3ccccc3",NA,NA,NA,"PDBC01634",NA,"Absent",NA,NA
+"1635","Thioperamide",NA,NA,NA,NA,NA,NA,"thioperamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S=C(NC1CCCCC1)N2CCC(CC2)c3cnc[nH]3","QKDDJDBFONZGBW-UHFFFAOYSA-N",3035905,NA,"PDBC01635",NA,"Absent",NA,NA
+"1636","Xamoterol",NA,NA,NA,NA,NA,NA,"xamoterol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2","DXPOSRCHIDYWHW-UHFFFAOYSA-N",155774,NA,"PDBC01636",NA,"Absent",NA,NA
+"1637","Idazoxan",NA,NA,NA,NA,NA,NA,"idazoxan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"idazoxan","C1CN=C(N1)[C@H]2COc3ccccc3O2","HPMRFMKYPGXPEP-UHFFFAOYSA-N",54459,NA,"PDBC01637",NA,"Present",NA,NA
+"1638","Eticlopride",NA,NA,NA,NA,NA,NA,"eticlopride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1CCC[C@H]1CNC(=O)c2c(O)c(CC)cc(Cl)c2OC","AADCDMQTJNYOSS-LBPRGKRZSA-N",57267,NA,"PDBC01638",NA,"Absent",NA,NA
+"1639","Esculetin",NA,NA,NA,NA,NA,NA,"esculetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"esculetin",NA,"Oc1cc2ccc(=O)oc2cc1O","ILEDWLMCKZNDJK-UHFFFAOYSA-N",5281416,NA,"PDBC01639","26428","Present",NA,NA
+"1640","Pentetic acid",NA,NA,NA,NA,NA,NA,"pentetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pentetic acid (usan)",NA,"OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O","QPCDCPDFJACHGM-UHFFFAOYSA-N",3053,NA,"PDBC01640","759314","Present",NA,NA
+"1641","Octopamine",NA,NA,NA,NA,NA,NA,"octopamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"octopamine","NCC(O)c1ccc(O)cc1","QHGUCRYDKWKLMG-UHFFFAOYSA-N",4581,NA,"PDBC01641",NA,"Present",NA,NA
+"1642","Nipecotic acid",NA,NA,NA,NA,NA,NA,"nipecotic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)C1CCCNC1","XJLSEXAGTJCILF-UHFFFAOYSA-N",4498,NA,"PDBC01642",NA,"Absent",NA,NA
+"1643","Esatenolol",NA,NA,NA,NA,NA,NA,"(-)-atenolol///R-atenolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"atenolol-(-)","CC(C)NC[C@@H](O)COc1ccc(CC(=O)N)cc1","METKIMKYRPQLGS-LBPRGKRZSA-N",175540,TRUE,"PDBC01643",NA,"Present",NA,NA
+"1644","tyloxapol",NA,NA,NA,NA,NA,NA,"tyloxapol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tyloxapol","CC(C)(C)CC(C)(C)c1ccc(OCOCCOCCO)c(Cc2cc(cc(Cc3cc(ccc3OCOCCOCCO)C(C)(C)CC(C)(C)C)c2OCOCCOCCO)C(C)(C)CC(C)(C)C)c1","DZGWFCGJZKJUFP-UHFFFAOYSA-N",5610,TRUE,"PDBC01644",NA,"Present",NA,NA
+"1645","Florfenicol",NA,NA,NA,NA,NA,NA,"florfenicol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Florfenicol",NA,"florfenicol","CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl","AYIRNRDRBQJXIF-NXEZZACHSA-N",114811,NA,"PDBC01645",NA,"Present",NA,NA
+"1646","Denatonium benzoate",NA,NA,NA,NA,NA,NA,"denatonium benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[N+](CC)(CC(=O)Nc1c(C)cccc1C)Cc2ccccc2","VWTINHYPRWEBQY-UHFFFAOYSA-N",19518,NA,"PDBC01646",NA,"Absent",NA,NA
+"1647","Scopoletin",NA,NA,NA,NA,NA,NA,"scopoletin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"scopoletin",NA,"COc1cc2ccc(=O)oc2cc1O","RODXRVNMMDRFIK-UHFFFAOYSA-N",5280460,NA,"PDBC01647","405647","Present",NA,NA
+"1648","Enilconazole",NA,NA,NA,NA,NA,NA,"enilconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1","PZBPKYOVPCNPJY-UHFFFAOYSA-N",37175,NA,"PDBC01648",NA,"Absent",NA,NA
+"1649","Prestwick-967",NA,NA,NA,NA,NA,NA,"Prestwick-967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C2CC(O)C1CC(=O)C2",NA,NA,NA,"PDBC01649",NA,"Absent",NA,NA
+"1650","3-acetamidocoumarin",NA,NA,NA,NA,NA,NA,"3-acetamidocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)Nc1cc2ccccc2oc1=O","XJYLCCJIDYSFMB-UHFFFAOYSA-N",136620,NA,"PDBC01650",NA,"Absent",NA,NA
+"1651","Roxarsone",NA,NA,NA,NA,NA,NA,"roxarsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oc1ccc(cc1[N+](=O)[O-])[As](=O)(O)O","XMVJITFPVVRMHC-UHFFFAOYSA-N",5104,NA,"PDBC01651",NA,"Absent",NA,NA
+"1652","Prestwick-972",NA,NA,NA,NA,NA,NA,"Prestwick-972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oc1noc2CNCCc12",NA,NA,NA,"PDBC01652",NA,"Absent",NA,NA
+"1653","Pirlindole",NA,NA,NA,NA,NA,NA,"pirlindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc2n3CCNC4CCCc(c43)c2c1","IWVRVEIKCBFZNF-UHFFFAOYSA-N",68802,NA,"PDBC01653",NA,"Absent",NA,NA
+"1654","Pronetalol",NA,NA,NA,NA,NA,NA,"pronetalol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)NCC(O)c1ccc2ccccc2c1","HRSANNODOVBCST-UHFFFAOYSA-N",4930,NA,"PDBC01654",NA,"Absent",NA,NA
+"1655","Tracazolate",NA,NA,NA,NA,NA,NA,"tracazolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCNc1c(C(=O)OCC)c(C)nc2n(CC)ncc12","PCTRYMLLRKWXGF-UHFFFAOYSA-N",5522,NA,"PDBC01655",NA,"Absent",NA,NA
+"1656","Zardaverine",NA,NA,NA,NA,NA,NA,"zardaverine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zardaverine","COc1cc(ccc1OC(F)F)c2ccc(=O)[nH]n2","HJMQDJPMQIHLPB-UHFFFAOYSA-N",5723,NA,"PDBC01656",NA,"Present",NA,NA
+"1657","Piribedil",NA,NA,NA,NA,NA,NA,"piribedil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(N1CCN(CC1)c2ncccn2)c3ccc4OCOc4c3","OQDPVLVUJFGPGQ-UHFFFAOYSA-N",4850,NA,"PDBC01657",NA,"Absent",NA,NA
+"1658","Prestwick-981",NA,NA,NA,NA,NA,NA,"Prestwick-981",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCOC(=O)C1(CCCC1)c2ccc(cc2)[N+](=O)[O-]",NA,NA,NA,"PDBC01658",NA,"Absent",NA,NA
+"1659","Prestwick-983",NA,NA,NA,NA,NA,NA,"Prestwick-983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)CCCSC(=N)N",NA,NA,NA,"PDBC01659",NA,"Absent",NA,NA
+"1660","beta-Sitosterol",NA,NA,NA,NA,NA,NA,"sitosterol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Beta-Sitosterol",NA,"CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C","KZJWDPNRJALLNS-VJSFXXLFSA-N",222284,NA,"PDBC01660","8096","Present",NA,NA
+"1661","Sanguinarine",NA,NA,NA,NA,NA,NA,"sanguinarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sanguinarine sulfate///sanguinarine",NA,"C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6","INVGWHRKADIJHF-UHFFFAOYSA-N",5154,NA,"PDBC01661","755821///35607","Present",NA,NA
+"1662","Harpagoside",NA,NA,NA,NA,NA,NA,"harpagoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]1(C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12)OC(=O)/C=C/c4ccccc4","KVRQGMOSZKPBNS-FMHLWDFHSA-N",5281542,NA,"PDBC01662",NA,"Absent",NA,NA
+"1663","Madecassol",NA,NA,NA,NA,NA,NA,"asiaticoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)C5CC[C@]43C)[C@@H]2[C@H]1C)C(=O)O[C@@H]6O[C@H](COC7O[C@H](CO)[C@@H](OC8O[C@@H](C)[C@H](O)[C@@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6O","WYQVAPGDARQUBT-JVGKFWCXSA-N",52912190,NA,"PDBC01663",NA,"Absent",NA,NA
+"1664","Betulin",NA,NA,NA,NA,NA,NA,"betulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"betulindiacetate///Betulin",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)CO","FVWJYYTZTCVBKE-ROUWMTJPSA-N",72326,NA,"PDBC01664","38876///4644","Present",NA,NA
+"1665","Gliquidone",NA,NA,NA,NA,NA,NA,"gliquidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2c(c1)C(=O)N(CCc3ccc(cc3)S(=O)(=O)NC(=O)NC4CCCCC4)C(=O)C2(C)C","LLJFMFZYVVLQKT-UHFFFAOYSA-N",91610,NA,"PDBC01665",NA,"Absent",NA,NA
+"1666","Pizotifen",NA,NA,NA,NA,NA,NA,"pizotifen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCC(=C2c3ccsc3CCc4ccccc24)CC1","FIADGNVRKBPQEU-UHFFFAOYSA-N",27400,NA,"PDBC01666",NA,"Absent",NA,NA
+"1667","Cyclopenthiazide",NA,NA,NA,NA,NA,NA,"cyclopenthiazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NS(=O)(=O)c1cc2c(NC(CC3CCCC3)NS2(=O)=O)cc1Cl","BKYKPTRYDKTTJY-UHFFFAOYSA-N",2904,NA,"PDBC01667",NA,"Absent",NA,NA
+"1668","Cefalonium",NA,NA,NA,NA,NA,NA,"cefalonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)Cc4cccs4)C3=O)C(=O)O)cc1","FMZXNVLFJHCSAF-DNVCBOLYSA-N",21743,NA,"PDBC01668",NA,"Absent",NA,NA
+"1669","Zuclopenthixol",NA,NA,NA,NA,NA,NA,"zuclopenthixol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OCCN1CCN(CC/C=C\2/c3ccccc3Sc4ccc(Cl)cc24)CC1","WFPIAZLQTJBIFN-DVZOWYKESA-N",5311507,NA,"PDBC01669",NA,"Absent",NA,NA
+"1670","Proguanil",NA,NA,NA,NA,NA,NA,"proguanil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proguanil hydrochloride",NA,NA,"CC(C)NC(=N)NC(=N)Nc1ccc(Cl)cc1","SSOLNOMRVKKSON-UHFFFAOYSA-N",4923,TRUE,"PDBC01670",NA,"Absent",NA,NA
+"1671","Lymecycline",NA,NA,NA,NA,NA,NA,"lymecycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)NCNC(CCCCN)C(=O)O)C(=O)c4c(O)cccc4[C@@]3(C)O","AHEVKYYGXVEWNO-UEPZRUIBSA-N",54707177,NA,"PDBC01671",NA,"Absent",NA,NA
+"1672","Alfadolone",NA,NA,NA,NA,NA,NA,"alfadolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C","XWYBFXIUISNTQG-VKMGZQQJSA-N",9798416,NA,"PDBC01672",NA,"Absent",NA,NA
+"1673","Alfaxalone",NA,NA,NA,NA,NA,NA,"alfaxalone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C","DUHUCHOQIDJXAT-OLVMNOGESA-N",104845,NA,"PDBC01673",NA,"Absent",NA,NA
+"1674","Azapropazone",NA,NA,NA,NA,NA,NA,"azapropazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCC1C(=O)N2N(C1=O)c3cc(C)ccc3N=C2N(C)C","MPHPHYZQRGLTBO-UHFFFAOYSA-N",26098,NA,"PDBC01674",NA,"Absent",NA,NA
+"1675","Meptazinol",NA,NA,NA,NA,NA,NA,"meptazinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Meptazinol hydrochloride",NA,NA,"CCC1(CCCCN(C)C1)c2cccc(O)c2","JLICHNCFTLFZJN-UHFFFAOYSA-N",41049,NA,"PDBC01675",NA,"Absent",NA,NA
+"1676","Epitiostanol",NA,NA,NA,NA,NA,NA,"epitiostanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12CC[C@H]3[C@@H](CC[C@H]4CC5SC5C[C@@]43C)[C@@H]2CC[C@@H]1O","OBMLHUPNRURLOK-XGRAFVIBSA-N",443935,NA,"PDBC01676",NA,"Absent",NA,NA
+"1677","Fursultiamine",NA,NA,NA,NA,NA,NA,"fursultiamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C/C(=C(/CCO)\SSCC1CCCO1)/N(Cc2cnc(C)nc2N)C=O","JTLXCMOFVBXEKD-FOWTUZBSSA-N",3002119,NA,"PDBC01677",NA,"Absent",NA,NA
+"1678","Pivampicillin",NA,NA,NA,NA,NA,NA,"pivampicillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](NC(=O)[C@H](N)c3ccccc3)C2=O","ZEMIJUDPLILVNQ-ZXFNITATSA-N",33478,NA,"PDBC01678",NA,"Absent",NA,NA
+"1679","Talampicillin",NA,NA,NA,NA,NA,NA,"talampicillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OC4OC(=O)c5ccccc45","SOROUYSPFADXSN-SUWVAFIASA-N",71447,NA,"PDBC01679",NA,"Absent",NA,NA
+"1680","Flucloxacillin",NA,NA,NA,NA,NA,NA,"flucloxacillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1onc(c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)O)c4c(F)cccc4Cl","UIOFUWFRIANQPC-JKIFEVAISA-N",21319,NA,"PDBC01680",NA,"Absent",NA,NA
+"1681","Trapidil",NA,NA,NA,NA,NA,NA,"trapidil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trapidil","CCN(CC)c1cc(C)nc2ncnn12","GSNOZLZNQMLSKJ-UHFFFAOYSA-N",5531,NA,"PDBC01681",NA,"Present",NA,NA
+"1682","Etofenamate",NA,NA,NA,NA,NA,NA,"etofenamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OCCOCCOC(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F","XILVEPYQJIOVNB-UHFFFAOYSA-N",35375,NA,"PDBC01682",NA,"Absent",NA,NA
+"1683","Etamsylate",NA,NA,NA,NA,NA,NA,"etamsylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethamsylate",NA,NA,"Oc1ccc(O)c(c1)S(=O)(=O)O","HBGOLJKPSFNJSD-UHFFFAOYSA-N",17506,NA,"PDBC01683",NA,"Absent",NA,NA
+"1684","Etilefrine",NA,NA,NA,NA,NA,NA,"etilefrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCNCC(O)c1cccc(O)c1","SQVIAVUSQAWMKL-UHFFFAOYSA-N",3306,NA,"PDBC01684",NA,"Absent",NA,NA
+"1685","Tribenoside",NA,NA,NA,NA,NA,NA,"tribenoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc3ccccc3)[C@H](OCc4ccccc4)[C@H]1O","ULLNJSBQMBKOJH-VIVFLBMVSA-N",196122,NA,"PDBC01685",NA,"Absent",NA,NA
+"1686","Tiletamine",NA,NA,NA,NA,NA,NA,"tiletamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tiletamine","CCNC1(CCCCC1=O)c2cccs2","QAXBVGVYDCAVLV-UHFFFAOYSA-N",26533,NA,"PDBC01686",NA,"Present",NA,NA
+"1687","Isometheptene",NA,NA,NA,NA,NA,NA,"isometheptene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNC(C)CCC=C(C)C.OC(C(O)C(O)C(=O)O)C(O)C(=O)O","XVQUOJBERHHONY-UHFFFAOYSA-N",22297,NA,"PDBC01687",NA,"Absent",NA,NA
+"1688","Nifurtimox",NA,NA,NA,NA,NA,NA,"nifurtimox",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1CS(=O)(=O)CCN1/N=C/c2ccc(o2)[N+](=O)[O-]","ARFHIAQFJWUCFH-IZZDOVSWSA-N",6842999,NA,"PDBC01688",NA,"Absent",NA,NA
+"1689","Risperidone",NA,NA,NA,NA,NA,NA,"risperidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Risperidone;A-9056",NA,"Cc1nc2CCCCn2c(=O)c1CCN3CCC(CC3)c4noc5cc(F)ccc45","RAPZEAPATHNIPO-UHFFFAOYSA-N",5073,TRUE,"PDBC01689","786035","Present",NA,NA
+"1690","Halofantrine",NA,NA,NA,NA,NA,NA,"halofantrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"halofantrine","CCCCN(CCCC)CCC(O)c1cc2c(Cl)cc(Cl)cc2c3cc(ccc13)C(F)(F)F","FOHHNHSLJDZUGQ-UHFFFAOYSA-N",37393,TRUE,"PDBC01690",NA,"Present",NA,NA
+"1691","Articaine",NA,NA,NA,NA,NA,NA,"articaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Articaine hydrochloride",NA,NA,"CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC","QTGIAADRBBLJGA-UHFFFAOYSA-N",32170,TRUE,"PDBC01691",NA,"Absent",NA,NA
+"1692","Nomegestrol",NA,NA,NA,NA,NA,NA,"nomegestrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C","KZUIYQJTUIACIG-YBZCJVABSA-N",68783,NA,"PDBC01692",NA,"Absent",NA,NA
+"1693","Alcuronium chloride",NA,NA,NA,NA,NA,NA,"alcuronium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC/C=C/1\C[N@+]2(CC=C)CC[C@]3([C@@H]2C[C@@H]1C4=CN5C6C(=CN7C43)[C@H]\8C[C@H]9[C@@]6(CC[N@@+]9(CC=C)C/C8=C\CO)c%10ccccc5%10)c%11ccccc7%11","CPYGBGOXCJJJGC-GKLGUMFISA-L",21158559,NA,"PDBC01693",NA,"Absent",NA,NA
+"1694","L-Tyrosine, 3-hydroxy-alpha-methyl-, ethyl ester",NA,NA,NA,NA,NA,NA,"methyldopate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(C[C@](C)(N)C(=O)O)cc1OC","SVEBYYWCXTVYCR-LBPRGKRZSA-N",17277,TRUE,"PDBC01694",NA,"Absent",NA,NA
+"1695","Prednicarbate",NA,NA,NA,NA,NA,NA,"prednicarbate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)C(=O)COC(=O)CC","FNPXMHRZILFCKX-KAJVQRHHSA-N",6714002,TRUE,"PDBC01695",NA,"Absent",NA,NA
+"1696","Sertaconazole",NA,NA,NA,NA,NA,NA,"sertaconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1ccc(C(Cn2ccnc2)OCc3csc4c(Cl)cccc34)c(Cl)c1","JLGKQTAYUIMGRK-UHFFFAOYSA-N",65863,TRUE,"PDBC01696",NA,"Absent",NA,NA
+"1697","Piretanide",NA,NA,NA,NA,NA,NA,"piretanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"piretanide","NS(=O)(=O)c1cc(cc(N2CCCC2)c1Oc3ccccc3)C(=O)O","UJEWTUDSLQGTOA-UHFFFAOYSA-N",4849,NA,"PDBC01697",NA,"Present",NA,NA
+"1698","Pivmecillinam",NA,NA,NA,NA,NA,NA,"pivmecillinam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2[C@H](SC1(C)C)[C@H](/N=C/N3CCCCCC3)C2=O","NPGNOVNWUSPMDP-HLLBOEOZSA-N",115163,NA,"PDBC01698",NA,"Absent",NA,NA
+"1699","Piperidolate",NA,NA,NA,NA,NA,NA,"piperidolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1CCCC(C1)OC(=O)C(c2ccccc2)c3ccccc3","KTHVBAZBLKXIHZ-UHFFFAOYSA-N",4839,NA,"PDBC01699",NA,"Absent",NA,NA
+"1700","Ioxaglic acid",NA,NA,NA,NA,NA,NA,"ioxaglic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I","TYYBFXNZMFNZJT-UHFFFAOYSA-N",3742,NA,"PDBC01700",NA,"Absent",NA,NA
+"1701","Meprylcaine",NA,NA,NA,NA,NA,NA,"meprylcaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCNC(C)(C)COC(=O)c1ccccc1","VXJABHHJLXLNMP-UHFFFAOYSA-N",4065,NA,"PDBC01701",NA,"Absent",NA,NA
+"1702","Imidazolidinyl urea",NA,NA,NA,NA,NA,NA,"imidurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OCN1C(NC(=O)NCNC(=O)NC2N(CO)C(=O)NC2=O)C(=O)NC1=O","ZCTXEAQXZGPWFG-UHFFFAOYSA-N",38258,NA,"PDBC01702",NA,"Absent",NA,NA
+"1703","Dexpropranolol",NA,NA,NA,NA,NA,NA,"dexpropranolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)NC[C@@H](O)COc1cccc2ccccc12","AQHHHDLHHXJYJD-CQSZACIVSA-N",21138,NA,"PDBC01703",NA,"Absent",NA,NA
+"1704","Ciprofibrate",NA,NA,NA,NA,NA,NA,"ciprofibrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ciprofibrate","CC(C)(Oc1ccc(cc1)C2CC2(Cl)Cl)C(=O)O","KPSRODZRAIWAKH-UHFFFAOYSA-N",2763,NA,"PDBC01704",NA,"Present",NA,NA
+"1705","Tropine",NA,NA,NA,NA,NA,NA,"tropine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1C2CCC1CC(O)C2","CYHOMWAPJJPNMW-UHFFFAOYSA-N",8424,NA,"PDBC01705",NA,"Absent",NA,NA
+"1706","Prestwick-1080",NA,NA,NA,NA,NA,NA,"Prestwick-1080",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)Nc1nc2cc(SC(C)C)ccc2[nH]1",NA,NA,NA,"PDBC01706",NA,"Absent",NA,NA
+"1707","Prestwick-1083",NA,NA,NA,NA,NA,NA,"Prestwick-1083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN1C[C@]2(COC)CC[C@H](O)C3(C4C[C@H]5[C@H](OC(=O)C)C4[C@](O)(CC5OC)[C@H]6CC32)[C@@H]61",NA,NA,NA,"PDBC01707",NA,"Absent",NA,NA
+"1708","Prestwick-1084",NA,NA,NA,NA,NA,NA,"Prestwick-1084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H]1[C@@H]2CCC(=C3[C@@H]([C@H]2OC1=O)C(=CC3=O)C)C",NA,NA,NA,"PDBC01708",NA,"Absent",NA,NA
+"1709","Prestwick-1085",NA,NA,NA,NA,NA,NA,"Prestwick-1085",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1c2CC(Oc2nc3ccccc13)C(C)(O)CO",NA,NA,NA,"PDBC01709",NA,"Absent",NA,NA
+"1710","Cycloserine",NA,NA,NA,NA,NA,NA,"cycloserine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N[C@@H]1CONC1=O","DYDCUQKUCUHJBH-UWTATZPHSA-N",51670069,TRUE,"PDBC01710",NA,"Absent",NA,NA
+"1711","2-Chloropyrazine",NA,NA,NA,NA,NA,NA,"chloropyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clc1cnccn1","GELVZYOEQVJIRR-UHFFFAOYSA-N",73277,NA,"PDBC01711",NA,"Absent",NA,NA
+"1712","Homosalate",NA,NA,NA,NA,NA,NA,"homosalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"homosalate","CC1CC(CC(C)(C)C1)OC(=O)c2ccccc2O","WSSJONWNBBTCMG-UHFFFAOYSA-N",8362,NA,"PDBC01712",NA,"Present",NA,NA
+"1713","Spaglumic acid",NA,NA,NA,NA,NA,NA,"spaglumic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O","OPVPGKGADVGKTG-BQBZGAKWSA-N",188803,NA,"PDBC01713",NA,"Absent",NA,NA
+"1714","Cyclic AMP",NA,NA,NA,NA,NA,NA,"cyclic adenosine monophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4COP(=O)(O)O[C@@H]4C3O","IVOMOUWHDPKRLL-ASCDQALMSA-N",25322948,NA,"PDBC01714",NA,"Absent",NA,NA
+"1715","Estriol",NA,NA,NA,NA,NA,NA,"estriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@]12CCC3C(CCc4cc(O)ccc34)C2C[C@@H](O)[C@@H]1O","PROQIPRRNZUXQM-ZXXIGWHRSA-N",5756,NA,"PDBC01715",NA,"Absent",NA,NA
+"1716","Levisoprenaline",NA,NA,NA,NA,NA,NA,"(-)-isoprenaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)NCC(O)c1ccc(O)c(O)c1","JWZZKOKVBUJMES-NSHDSACASA-N",443372,NA,"PDBC01716",NA,"Absent",NA,NA
+"1717","Kaempferol",NA,NA,NA,NA,NA,NA,"kaempferol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oc1ccc(cc1)c2oc3cc(O)cc(O)c3c(=O)c2O","IYRMWMYZSQPJKC-UHFFFAOYSA-N",5280863,NA,"PDBC01717",NA,"Absent",NA,NA
+"1718","Nialamide",NA,NA,NA,NA,NA,NA,"nialamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C(CCNNC(=O)c1ccncc1)NCc2ccccc2","NOIIUHRQUVNIDD-UHFFFAOYSA-N",4472,NA,"PDBC01718",NA,"Absent",NA,NA
+"1719","Prestwick-1100",NA,NA,NA,NA,NA,NA,"Prestwick-1100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1C(C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)c2ccccc2C1=O",NA,NA,NA,"PDBC01719",NA,"Absent",NA,NA
+"1720","Prestwick-1103",NA,NA,NA,NA,NA,NA,"Prestwick-1103",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc2nccc(C(=O)O)c2c1",NA,NA,NA,"PDBC01720",NA,"Absent",NA,NA
+"1721","Verteporfin",NA,NA,NA,NA,NA,NA,"verteporfin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)C1C(=CC=C2c3cc4[nH]c(cc5nc(cc6[nH]c(cc(n3)[C@]12C)c(C)c6CCC(=O)O)c(CCC(=O)O)c5C)c(C=C)c4C)C(=O)OC","YTZALCGQUPRCGW-MXVXOLGGSA-N",NA,TRUE,"PDBC01721",NA,"Absent",NA,NA
+"1722","Mephenytoin",NA,NA,NA,NA,NA,NA,"mephenytoin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mephenytoin","CCC1(NC(=O)N(C)C1=O)c2ccccc2","GMHKMTDVRCWUDX-UHFFFAOYSA-N",4060,TRUE,"PDBC01722",NA,"Present",NA,NA
+"1723","Ronidazole",NA,NA,NA,NA,NA,NA,"ronidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cn1c(COC(=O)N)ncc1[N+](=O)[O-]","PQFRTXSWDXZRRS-UHFFFAOYSA-N",5094,TRUE,"PDBC01723",NA,"Absent",NA,NA
+"1724","Dorzolamide",NA,NA,NA,NA,NA,NA,"dorzolamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dorzolamide","CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(=O)(=O)N","IAVUPMFITXYVAF-XPUUQOCRSA-N",5284549,TRUE,"PDBC01724",NA,"Present",NA,NA
+"1725","Azaperone",NA,NA,NA,NA,NA,NA,"azaperone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fc1ccc(cc1)C(=O)CCCN2CCN(CC2)c3ccccn3","XTKDAFGWCDAMPY-UHFFFAOYSA-N",15443,NA,"PDBC01725",NA,"Absent",NA,NA
+"1726","Cefepime",NA,NA,NA,NA,NA,NA,"cefepime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CON=C(C(=O)N[C@@H]1[C@H]2SCC(=C(N2C1=O)C(=O)O)C[N+]3(C)CCCC3)c4csc(N)n4","HVFLCNVBZFFHBT-ZKDACBOMSA-N",5479537,TRUE,"PDBC01726",NA,"Absent",NA,NA
+"1727","0173570-0000",NA,NA,NA,NA,NA,NA,"0173570-0000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCn1c(=O)c(C)cc2cnc(Nc3ccccc3)nc12",NA,NA,NA,"PDBC01727",NA,"Absent",NA,NA
+"1728","0175029-0000",NA,NA,NA,NA,NA,NA,"0175029-0000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CCOc1ccc(Nc2ncc3ccc(=O)n(c4ccccc4)c3n2)cc1",NA,NA,NA,"PDBC01728",NA,"Absent",NA,NA
+"1729","0179445-0000",NA,NA,NA,NA,NA,NA,"0179445-0000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=c1ccc2cnc(NCCCN3CCCCC3)nc2n1C4CCCCC4",NA,NA,NA,"PDBC01729",NA,"Absent",NA,NA
+"1730","0198306-0000",NA,NA,NA,NA,NA,NA,"0198306-0000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(I)ccc1Nc2c(F)c(F)c(F)cc2C(=O)NOCC3CC3",NA,NA,NA,"PDBC01730",NA,"Absent",NA,NA
+"1731","0297417-0002B",NA,NA,NA,NA,NA,NA,"0297417-0002B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(=O)n(C2CCCC2)c3nc(Nc4ccc(cc4)N5CCNC(C)(C)C5)ncc13","ZOCHARZZJNPSEU-UHFFFAOYSA-N",6328200,NA,"PDBC01731",NA,"Absent",NA,NA
+"1732","0316684-0000",NA,NA,NA,NA,NA,NA,"0316684-0000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OCCONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F",NA,NA,NA,"PDBC01732",NA,"Absent",NA,NA
+"1733","AG-012559",NA,NA,NA,NA,NA,NA,"AG-012559",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N(c1cc([nH]n1)c2cccnc2)c3ccccc3",NA,NA,NA,"PDBC01733",NA,"Absent",NA,NA
+"1734","AG-028671",NA,NA,NA,NA,NA,NA,"AG-028671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cn1ccnc1c2cc3nccc(Oc4ccc5c(cccc5c4)C(=O)NCCN6CCOCC6)c3s2",NA,NA,NA,"PDBC01734",NA,"Absent",NA,NA
+"1735","CP-319743",NA,NA,NA,NA,NA,NA,"CP-319743",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc2ncnc(N3CCc4cc(OCc5ccccc5)ccc34)c2cc1OC",NA,NA,NA,"PDBC01735",NA,"Absent",NA,NA
+"1736","CP-320650-01",NA,NA,NA,NA,NA,NA,"CP-320650-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1cc2c(ncnc2cc1OCCO)N3CCc4ccc(Cl)cc34",NA,NA,NA,"PDBC01736",NA,"Absent",NA,NA
+"1737","CP-645525-01",NA,NA,NA,NA,NA,NA,"CP-645525-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(N)C(O)C#Cc1ccc2ncnc(Nc3ccc(Oc4cccc(F)c4)c(C)c3)c2c1",NA,NA,NA,"PDBC01737",NA,"Absent",NA,NA
+"1738","CP-690334-01",NA,NA,NA,NA,NA,NA,"CP-690334-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCn1c(=O)n(CC)c2cc(ccc12)c3c(NCCCN(C)C)n[nH]c3c4cccc(C)c4",NA,NA,NA,"PDBC01738",NA,"Absent",NA,NA
+"1739","CP-863187",NA,NA,NA,NA,NA,NA,"CP-863187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)c1nnc2ccc(cn12)c3ocnc3c4cc(F)ccc4F",NA,9949821,NA,"PDBC01739",NA,"Absent",NA,NA
+"1740","CP-944629",NA,NA,NA,NA,NA,NA,"CP-944629",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)(C)c1nnc2ccc(cn12)c3ocnc3c4cc(F)c(F)cc4F",NA,9999342,NA,"PDBC01740",NA,"Absent",NA,NA
+"1741","PHA-00745360",NA,NA,NA,NA,NA,NA,"PHA-00745360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FC(F)(F)c1cc(NC(=O)c2cccc(CCc3cc(Nc4cccnc4)n[nH]3)c2)ccc1N5CCCC5",NA,NA,NA,"PDBC01741",NA,"Absent",NA,NA
+"1742","PHA-00767505E",NA,NA,NA,NA,NA,NA,"PHA-00767505E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCCn1nc(cc1C(=O)O)c2ccnc(c2)c3cnc4ccccc4c3",NA,NA,NA,"PDBC01742",NA,"Absent",NA,NA
+"1743","PHA-00846566E",NA,NA,NA,NA,NA,NA,"PHA-00846566E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCNC(=O)CCCOc1cccc(c1)c2cc(ccn2)c3cc4C(=O)NCCc4[nH]3",NA,NA,NA,"PDBC01743",NA,"Absent",NA,NA
+"1744","PHA-00851261E",NA,NA,NA,NA,NA,NA,"PHA-00851261E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C1N(C(=O)c2ccccc12)c3cc(ccn3)c4cc5C(=O)NCCc5[nH]4",NA,NA,NA,"PDBC01744",NA,"Absent",NA,NA
+"1745","PNU-0230031",NA,NA,NA,NA,NA,NA,"PNU-0230031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)c1cnc(NC(=O)Nc2ccc(N)cc2)s1",NA,NA,NA,"PDBC01745",NA,"Absent",NA,NA
+"1746","PNU-0251126",NA,NA,NA,NA,NA,NA,"PNU-0251126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)c1cnc(NC(=O)Nc2ccc(O)cc2)s1",NA,NA,NA,"PDBC01746",NA,"Absent",NA,NA
+"1747","PNU-0293363",NA,NA,NA,NA,NA,NA,"PNU-0293363",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS(=O)(=O)c1ccc(s1)C(=O)Nc2cc([nH]n2)C3CC3",NA,NA,NA,"PDBC01747",NA,"Absent",NA,NA
+"1748","Spiradoline",NA,NA,NA,NA,NA,NA,"spiradoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiradoline","CN([C@H]1CC[C@@]2(CCCO2)C[C@H]1N3CCCC3)C(=O)Cc4ccc(Cl)c(Cl)c4","NYKCGQQJNVPOLU-ONTIZHBOSA-N",55652,NA,"PDBC01748",NA,"Present",NA,NA
+"1749","Withaferin A",NA,NA,NA,NA,NA,NA,"withaferin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"withaferin","Withaferin A",NA,"CC([C@H]1CC[C@@H]2[C@H]3C[C@H]4O[C@@]44[C@@H](O)C=CC(=O)[C@@]4(C)C3CC[C@@]12C)[C@@H]1CC(C)=C(CO)C(=O)O1","DBRXOUCRJQVYJQ-CKNDUULBSA-N",265237,NA,"PDBC01749","101088","Present",NA,NA
+"1750","Semustine",NA,NA,NA,NA,NA,NA,"semustine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"METHYL CCNU",NA,"CC1CCC(CC1)NC(=O)N(CCCl)N=O","FVLVBPDQNARYJU-UHFFFAOYSA-N",5198,NA,"PDBC01750","95441","Present",NA,NA
+"1751","PS-III",NA,NA,NA,NA,NA,NA,"MG-262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)CC(NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)B(O)O","GPWIPTHHAKFKLH-FKBYEOEOSA-N",11466507,NA,"PDBC01751",NA,"Absent",NA,NA
+"1752","Scriptaid",NA,NA,NA,NA,NA,NA,"scriptaid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"scriptaid","ONC(=O)CCCCCN1C(=O)c2cccc3cccc(C1=O)c23","JTDYUFSDZATMKU-UHFFFAOYSA-N",5186,NA,"PDBC01752",NA,"Present",NA,NA
+"1753","valinomycin",NA,NA,NA,NA,NA,NA,"valinomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VALINOMYCIN",NA,"CC(C)C1NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC(=O)C(NC(=O)C(C)OC(=O)C(NC(=O)C(OC1=O)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C)C(C)C","FCFNRCROJUBPLU-DNDCDFAISA-N",3000706,NA,"PDBC01753","122023","Present",NA,NA
+"1754","0225151-0000",NA,NA,NA,NA,NA,NA,"0225151-0000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc2cc(NC(=O)c3cccc(SCc4cc(Nc5ccccc5)[nH]n4)c3)ccc2n1",NA,NA,NA,"PDBC01754",NA,"Absent",NA,NA
+"1755","PF-00539745-00",NA,NA,NA,NA,NA,NA,"PF-00539745-00",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C(Nc1cccc(OCc2cccnc2)c1)[C@@]34C[C@@H]5C[C@H]4C[C@H](C3)C5",NA,NA,NA,"PDBC01755",NA,"Absent",NA,NA
+"1756","PF-00562151-00",NA,NA,NA,NA,NA,NA,"PF-00562151-00",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)c1ccc(NC(=O)c2cccc(SCc3cnccn3)c2)cc1C",NA,NA,NA,"PDBC01756",NA,"Absent",NA,NA
+"1757","PF-00875133-00",NA,NA,NA,NA,NA,NA,"PF-00875133-00",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccccc1/C=C/C(=O)Nc2cccc(CSc3ncnc4[nH]ncc34)c2",NA,NA,NA,"PDBC01757",NA,"Absent",NA,NA
+"1758","AG-013608",NA,NA,NA,NA,NA,NA,"AG-013608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(Nc2cc(COc3cc(ccc3F)C(=O)Nc4ccc(N5CCCC5)c(c4)C(F)(F)F)[nH]n2)cn1",NA,NA,NA,"PDBC01758",NA,"Absent",NA,NA
+"1759","PF-00539758-00",NA,NA,NA,NA,NA,NA,"PF-00539758-00",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1cc(C(=O)Nc2cccc(OCc3cccnc3)c2)n(C)n1",NA,NA,NA,"PDBC01759",NA,"Absent",NA,NA
+"1760","PF-01378883-00",NA,NA,NA,NA,NA,NA,"PF-01378883-00",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)c1ccc(NC(=O)c2cccc(OCc3cncc4ccccc34)c2)cc1C",NA,NA,NA,"PDBC01760",NA,"Absent",NA,NA
+"1761","STOCK1N-35215",NA,NA,NA,NA,NA,NA,"STOCK1N-35215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1C(=O)CCl)c4ccc(cc4)C(=O)OC",NA,NA,NA,"PDBC01761",NA,"Absent",NA,NA
+"1762","5707885",NA,NA,NA,NA,NA,NA,"5707885",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COCCOC(=O)C1=C(C)NC2=C(C1c3ccccc3F)C(=O)CC(C2)c4ccc(Cl)cc4",NA,NA,NA,"PDBC01762",NA,"Absent",NA,NA
+"1763","F0447-0125",NA,NA,NA,NA,NA,NA,"F0447-0125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCc1ccccc1NC(=O)/C=C/c2ccc(s2)[N+](=O)[O-]",NA,NA,NA,"PDBC01763",NA,"Absent",NA,NA
+"1764","5155877",NA,NA,NA,NA,NA,NA,"5155877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=P(CC1CS(=O)(=O)C=C1)(Oc2ccccc2)Oc3ccccc3",NA,NA,NA,"PDBC01764",NA,"Absent",NA,NA
+"1765","5194442",NA,NA,NA,NA,NA,NA,"5194442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)c1ccc(N=Cc2ccc(s2)[N+](=O)[O-])cc1",NA,NA,NA,"PDBC01765",NA,"Absent",NA,NA
+"1766","STOCK1N-35874",NA,NA,NA,NA,NA,NA,"STOCK1N-35874",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCn1c(=O)[nH]c(O)c(C2NCCc3c2[nH]c4ccccc34)c1=O",NA,NA,NA,"PDBC01766",NA,"Absent",NA,NA
+"1767","STOCK1N-35696",NA,NA,NA,NA,NA,NA,"STOCK1N-35696",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cn1c(O)c(C2NCCc3c2[nH]c4ccccc34)c(=O)n(C)c1=O",NA,NA,NA,"PDBC01767",NA,"Absent",NA,NA
+"1768","STOCK1N-28457",NA,NA,NA,NA,NA,NA,"STOCK1N-28457",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1c2OCOc2cc3CCN(C)C(CN)c13","ODLCWRPXBNVZCY-UHFFFAOYSA-N",3841896,NA,"PDBC01768",NA,"Absent",NA,NA
+"1769","BAS-012416453",NA,NA,NA,NA,NA,NA,"BAS-012416453",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cc1ccc(cc1)C(=O)c2cncc(Br)c2",NA,NA,NA,"PDBC01769",NA,"Absent",NA,NA
+"1770","Glycyl-l-histidyl-l-lysine",NA,NA,NA,NA,NA,NA,"Gly-His-Lys",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCCCCC(NC(=O)C(Cc1c[nH]cn1)NC(=O)CN)C(=O)O","MVORZMQFXBLMHM-QWRGUYRKSA-N",73587,NA,"PDBC01770",NA,"Absent",NA,NA
+"1771","GSK-3 inhibitor IX",NA,NA,NA,NA,NA,NA,"6-bromoindirubin-3'-oxime","GSK-3 inhibitor IX",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC745931","GSK-3-inhibitor-IX","ONC1=c2ccccc2=NC1=C3C(=O)Nc4cc(Br)ccc34","SAQUSDSPQYQNBG-UHFFFAOYSA-N",448949,NA,"PDBC01771","745931","Present",NA,NA
+"1772","16,16-dimethylprostaglandin E2",NA,NA,NA,NA,NA,"16,16-dimethylprostaglandin-E2","16,16-dimethylprostaglandin E2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC(C)(C)[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O","QAOBBBBDJSWHMU-BKSAQPBESA-N",6434251,NA,"PDBC01772",NA,"Absent",NA,NA
+"1773","SC-560",NA,NA,NA,NA,NA,NA,"SC-560",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(cc1)n2nc(cc2c3ccc(Cl)cc3)C(F)(F)F","PQUGCKBLVKJMNT-UHFFFAOYSA-N",4306515,NA,"PDBC01773",NA,"Absent",NA,NA
+"1774","H-89",NA,NA,NA,NA,NA,NA,"H-89",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H-89-2HCl","H-89",NA,"Brc1ccc(/C=C/CNCCNS(=O)(=O)c2cccc3cnccc23)cc1","ZKZXNDJNWUTGDK-NSCUHMNNSA-N",449241,NA,"PDBC01774","782017///755766","Present",NA,NA
+"1775","AH-23848",NA,NA,NA,NA,NA,NA,"AH-23848",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)CCC=CCCC1C(CC(=O)C1N2CCOCC2)OCc3ccc(cc3)c4ccccc4","IOFUFYLETVNNRF-OWOJBTEDSA-N",6435402,NA,"PDBC01775",NA,"Absent",NA,NA
+"1776","NS-398",NA,NA,NA,NA,NA,NA,"NS-398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS(=O)(=O)Nc1ccc(cc1OC2CCCCC2)[N+](=O)[O-]","KTDZCOWXCWUPEO-UHFFFAOYSA-N",4553,NA,"PDBC01776",NA,"Absent",NA,NA
+"1777","AH-6809",NA,NA,NA,NA,NA,NA,"AH-6809",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)Oc1ccc2c(=O)c3cc(ccc3oc2c1)C(=O)O","AQFFXPQJLZFABJ-UHFFFAOYSA-N",119461,NA,"PDBC01777",NA,"Absent",NA,NA
+"1778","SC-19220",NA,NA,NA,NA,NA,NA,"SC-19220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)NNC(=O)N1Cc2cc(Cl)ccc2Oc3ccccc13","KNURFLJTOUGOOQ-UHFFFAOYSA-N",4336830,NA,"PDBC01778",NA,"Absent",NA,NA
+"1779","CAY-10397",NA,NA,NA,NA,NA,NA,"CAY-10397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCOC(=O)c1ccc(N=Nc2ccc(O)c(CC(=O)O)c2)cc1","DPHOCQNZARWEHS-FMQUCBEESA-N",NA,NA,"PDBC01779",NA,"Absent",NA,NA
+"1780","15(S)-15-methylprostaglandin E2",NA,NA,NA,NA,NA,NA,"15(S)-15-methylprostaglandin E2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCCC(C)(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O",NA,NA,NA,"PDBC01780",NA,"Absent",NA,NA
+"1781","Meteneprost",NA,NA,NA,NA,NA,NA,"meteneprost",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC(C)(C)C(O)C=CC1C(O)CC(=C)C1CC=CCCCC(=O)O","WMLGLMGSFIXSGO-KTXJXPLISA-N",5283060,NA,"PDBC01781",NA,"Absent",NA,NA
+"1782","16-phenyltetranorprostaglandin E2",NA,NA,NA,NA,NA,NA,"16-phenyltetranorprostaglandin E2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(Cc1ccccc1)C=CC2C(O)CC(=O)C2CC=CCCCC(=O)O",NA,NA,NA,"PDBC01782",NA,"Absent",NA,NA
+"1783","11-deoxy-16,16-dimethylprostaglandin E2",NA,NA,NA,NA,NA,NA,"11-deoxy-16,16-dimethylprostaglandin E2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCCCC(C)(C)C(O)C=CC1CCC(=O)C1CC=CCCCC(=O)O","LLVVDFDWPQHXBA-PMOPTMIRSA-N",71684386,NA,"PDBC01783",NA,"Absent",NA,NA
+"1784","C-75",NA,NA,NA,NA,NA,NA,"C-75",NA,NA,NA,NA,NA,NA,NA,"C-75",NA,NA,NA,NA,"C-75",NA,"C[C@H]1CC[C@H](CC1)OC(=O)c2c(oc3c(C#CC4(O)CCCC4)cc(C[C@H](NC(=O)C)C(=O)NCCO)cc23)C5(O)CCCC5","VCWLZDVWHQVAJU-UHFFFAOYSA-N",4248455,NA,"PDBC01784","764756","Present",NA,NA
+"1785","Alsterpaullone",NA,NA,NA,NA,NA,NA,"alsterpaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alsterpaullone",NA,"[O-][N+](=O)c1ccc2[nH]c-3c(CC(=O)Nc4ccccc34)c2c1","OLUKILHGKRVDCT-UHFFFAOYSA-N",5005498,NA,"PDBC01785","705701","Present",NA,NA
+"1786","GW-8510",NA,NA,NA,NA,NA,NA,"GW-8510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O=C/1Nc2ccc3ncsc3c2\C1=C\Nc4ccc(cc4)S(=O)(=O)Nc5ccccn5","GCYXEGSPUDSZJY-PTNGSMBKSA-N",6539118,NA,"PDBC01786",NA,"Absent",NA,NA
+"1787","AR-A014418",NA,NA,NA,NA,NA,NA,"AR-A014418",NA,NA,NA,NA,NA,NA,"AR-A014418",NA,NA,NA,NA,NA,NA,NA,"COc1ccc(CNC(=O)Nc2ncc(s2)[N+](=O)[O-])cc1","YAEMHJKFIIIULI-UHFFFAOYSA-N",448014,NA,"PDBC01787",NA,"Absent",NA,NA
+"1788","IC-86621",NA,NA,NA,NA,NA,NA,"IC-86621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(=O)c1ccc(cc1O)N2CCOCC2","YHKSBKQXCWHTQL-UHFFFAOYSA-N",9859309,NA,"PDBC01788",NA,"Absent",NA,NA
+"1789","BCB000038",NA,NA,NA,NA,NA,NA,"BCB000038",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC(=O)CCCCCC(=O)N/N=C/c1cccs1",NA,NA,NA,"PDBC01789",NA,"Absent",NA,NA
+"1790","BCB000039",NA,NA,NA,NA,NA,NA,"BCB000039",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oc1ccccc1/C=N/n2c3ccccc3c4ccccc24",NA,NA,NA,"PDBC01790",NA,"Absent",NA,NA
+"1791","BCB000040",NA,NA,NA,NA,NA,NA,"BCB000040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C(Cn1c2ccccc2c3ccccc13)c4nc5ccccc5[nH]4",NA,NA,NA,"PDBC01791",NA,"Absent",NA,NA
+"1792","(-)-Epigallocatechin gallate",NA,NA,NA,NA,NA,NA,NA,"epigallocatechin-3-monogallate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,65064,NA,"PDBC01792",NA,"Present",NA,NA
+"1793","N-Hexanoylsphingosine",NA,NA,NA,NA,NA,NA,NA,"C6-ceramide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,5702613,NA,"PDBC01793",NA,"Present",NA,NA
+"1794","SB-431542",NA,NA,NA,NA,NA,NA,NA,"SB-431542",NA,NA,NA,NA,NA,NA,NA,NA,"SB-431542",NA,NA,"SB-431542///SB-431542-A","SB-431542","NC(=O)c1ccc(cc1)c2nc(c([nH]2)c3ccccn3)c4ccc5OCOc5c4",NA,4521392,NA,"PDBC01794","756649///756453","Present",NA,NA
+"1795","BRD-K94991378",NA,NA,NA,NA,NA,NA,NA,"BRD-K94991378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COCCOC(=O)N1C(=O)[C@]2([C@@H]([C@@H]3N([C@@H]2c4ccccc4OCCO)[C@H]([C@H](OC3=O)c5ccccc5)c6ccccc6)C(=O)NCC=C)c7cc(C#CCC(C(=O)OC)C(=O)OC)ccc17",NA,NA,NA,"PDBC01795",NA,"Present",NA,NA
+"1796","IC-87114",NA,NA,NA,NA,NA,NA,NA,"IC-87114",NA,NA,NA,NA,NA,NA,"IC-87114",NA,NA,NA,NA,NA,NA,NA,NA,9908783,NA,"PDBC01796",NA,"Present",NA,NA
+"1797","Sitagliptin",NA,NA,NA,NA,NA,NA,NA,"sitagliptin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N[C@@H](CC(=O)N1CCn2c(nnc2C1)C(F)(F)F)Cc3cc(F)c(F)cc3F",NA,4369359,TRUE,"PDBC01797",NA,"Present",NA,NA
+"1798","BRD-K71935468",NA,NA,NA,NA,NA,NA,NA,"BRD-K71935468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)C(CC#Cc1ccc2NC(=O)[C@@]3([C@H]([C@H]4N([C@H]3c5ccccc5OCCO)[C@@H]([C@@H](OC4=O)c6ccccc6)c7ccccc7)C(=O)N8CCN(CC8)c9ncccn9)c2c1)C(=O)OC",NA,NA,NA,"PDBC01798",NA,"Present",NA,NA
+"1799","apicidin",NA,NA,NA,NA,NA,NA,NA,"apicidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"-666",NA,6918328,NA,"PDBC01799",NA,"Present",NA,NA
+"1800","BRD-A94377914",NA,NA,NA,NA,NA,NA,NA,"BRD-A94377914",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01800",NA,"Present",NA,NA
+"1801","compound 1B",NA,NA,NA,NA,NA,NA,NA,"compound 1B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01801",NA,"Present",NA,NA
+"1802","Vincristine",NA,NA,NA,NA,NA,NA,NA,"vincristine","Vincristine",NA,NA,NA,NA,NA,"Vincristine",NA,NA,NA,NA,"Vincristine","vincristine","CCC1(O)CC2CN(C1)CCc3c([nH]c4ccccc34)C(C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)C7C86CCN9CC=CC(CC)(C98)C(C(=O)OC)C7(O)C(=O)OC",NA,5978,TRUE,"PDBC01802","67574///759174","Present","vincristine",NA
+"1803","BRD-K92856060",NA,NA,NA,NA,NA,NA,NA,"BRD-K92856060",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01803",NA,"Present",NA,NA
+"1804","BRD-K45681478",NA,NA,NA,NA,NA,NA,NA,"BRD-K45681478",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01804",NA,"Present",NA,NA
+"1805","MI-1",NA,NA,NA,NA,NA,NA,NA,"MI-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01805",NA,"Present",NA,NA
+"1806","DBeQ",NA,NA,NA,NA,NA,NA,NA,"DBeQ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,676352,NA,"PDBC01806",NA,"Present",NA,NA
+"1807","ML083",NA,NA,NA,NA,NA,"ASN 05257430",NA,"ML083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,650361,NA,"PDBC01807",NA,"Present",NA,NA
+"1808","CID-5951923",NA,NA,NA,NA,NA,NA,NA,"CID-5951923",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,5951923,NA,"PDBC01808",NA,"Present",NA,NA
+"1809","IU1",NA,NA,NA,NA,NA,NA,NA,"IU1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,675434,NA,"PDBC01809",NA,"Present",NA,NA
+"1810","ML311",NA,NA,NA,NA,NA,NA,NA,"ML311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ml311",NA,NA,NA,3384730,NA,"PDBC01810","765420","Present",NA,NA
+"1811","BRD-K61166597",NA,NA,NA,NA,NA,NA,NA,"BRD-K61166597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01811",NA,"Present",NA,NA
+"1812","QW-BI-011",NA,NA,NA,NA,NA,NA,NA,"QW-BI-011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC(=O)c1ccc2n(CCCc3ccccc3)c(NC(=O)c4ccccc4)nc2c1",NA,NA,NA,"PDBC01812",NA,"Present",NA,NA
+"1813","Bendamustine",NA,NA,NA,NA,NA,NA,NA,"bendamustine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bendamustine","bendamustine",NA,NA,65628,TRUE,"PDBC01813","138783","Present",NA,NA
+"1814","Platinum",NA,NA,NA,NA,NA,NA,NA,"Platin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,23939,TRUE,"PDBC01814",NA,"Present",NA,NA
+"1815","TPCA-1",NA,NA,NA,"TPCA-1",NA,NA,NA,"TPCA-1",NA,NA,NA,"TPCA-1",NA,NA,"TPCA-1",NA,NA,NA,NA,NA,"TPCA-1","NC(=O)Nc1sc(cc1C(=O)N)c2ccc(F)cc2",NA,9903786,NA,"PDBC01815",NA,"Present",NA,NA
+"1816","BRD-K80183349",NA,NA,NA,NA,NA,NA,NA,"BRD-K80183349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01816",NA,"Present",NA,NA
+"1817","BRD-K66532283",NA,NA,NA,NA,NA,NA,NA,"BRD-K66532283",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01817",NA,"Present",NA,NA
+"1818","Triazolothiadiazine",NA,NA,NA,NA,NA,NA,NA,"triazolothiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIAZOLOTHIADIAZINE",NA,NA,NA,NA,NA,"PDBC01818","725746///725750///725748///725751///725749","Present",NA,NA
+"1819","BRD-K66453893",NA,NA,NA,NA,NA,NA,NA,"BRD-K66453893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01819",NA,"Present",NA,NA
+"1820","BRD-K11533227",NA,NA,NA,NA,NA,NA,NA,"BRD-K11533227",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"-666",NA,NA,NA,"PDBC01820",NA,"Present",NA,NA
+"1821","BRD-K27224038",NA,NA,NA,NA,NA,NA,NA,"BRD-K27224038",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)C2CCOCC2)Oc3ncc(C#CC4(O)CCCC4)cc3C1=O",NA,NA,NA,"PDBC01821",NA,"Present",NA,NA
+"1822","BRD-K14844214",NA,NA,NA,NA,NA,NA,NA,"BRD-K14844214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)CC#Cc1ccc2c(O[C@@H](CN(C)C(=O)c3cnccn3)[C@H](C)CN([C@H](C)CO)S2(=O)=O)c1",NA,NA,NA,"PDBC01822",NA,"Present",NA,NA
+"1823","BRD1835",NA,NA,NA,NA,NA,NA,NA,"BRD1835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01823",NA,"Present",NA,NA
+"1824","BRD-K41597374",NA,NA,NA,NA,NA,NA,NA,"BRD-K41597374",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01824",NA,"Present",NA,NA
+"1825","BRD-K63431240",NA,NA,NA,NA,NA,NA,NA,"BRD-K63431240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H](CO)N1C[C@H](C)[C@@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc4cc(C#Cc5ccncc5)ccc4S1(=O)=O",NA,NA,NA,"PDBC01825",NA,"Present",NA,NA
+"1826","BRD-K13999467",NA,NA,NA,NA,NA,NA,NA,"BRD-K13999467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)Cc2ccncc2)Oc3cc(C#Cc4ccccc4F)ccc3S1(=O)=O",NA,NA,NA,"PDBC01826",NA,"Present",NA,NA
+"1827","BRD-K96970199",NA,NA,NA,NA,NA,NA,NA,"BRD-K96970199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01827",NA,"Present",NA,NA
+"1828","SRT-1720",NA,NA,NA,NA,NA,NA,NA,"SRT-1720",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SRT1720","O=C(Nc1cc(CN2CCNCC2)cc(c1)-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1",NA,24180125,NA,"PDBC01828",NA,"Present",NA,NA
+"1829","BRD-K49290616",NA,NA,NA,NA,NA,NA,NA,"BRD-K49290616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OC[C@@H]1O[C@@H](CC(=O)NCc2ccncn2)CC[C@H]1NC(=O)c1ccc(F)cc1",NA,NA,NA,"PDBC01829",NA,"Present",NA,NA
+"1830","BRD-K02492147",NA,NA,NA,NA,NA,NA,NA,"BRD-K02492147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCN(CC1)C(=O)C[C@@H]1O[C@H](CO)[C@@H](NS(=O)(=O)c2cccc(F)c2)C=C1",NA,NA,NA,"PDBC01830",NA,"Present",NA,NA
+"1831","BRD-K96431673",NA,NA,NA,NA,NA,NA,NA,"BRD-K96431673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN1CCN(CC1)C(=O)C[C@H]1CC[C@H](NC(=O)c2ccc3OCOc3c2)[C@@H](CO)O1",NA,NA,NA,"PDBC01831",NA,"Present",NA,NA
+"1832","BRD-K71781559",NA,NA,NA,NA,NA,NA,NA,"BRD-K71781559",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01832",NA,"Present",NA,NA
+"1833","BRD-K86535717",NA,NA,NA,NA,NA,NA,NA,"BRD-K86535717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO[C@@H]1CC[C@H]2CCN(C)C(=O)[C@@H](C)[C@H](CN(C)C(=O)c3cccc(C#N)c3OC[C@H]1O2)OC",NA,NA,NA,"PDBC01833",NA,"Present",NA,NA
+"1834","BRD-K48334597",NA,NA,NA,NA,NA,NA,NA,"BRD-K48334597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01834",NA,"Present",NA,NA
+"1835","ML312",NA,NA,NA,NA,NA,NA,NA,"ML312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01835",NA,"Present",NA,NA
+"1836","BRD-K04800985",NA,NA,NA,NA,NA,NA,NA,"BRD-K04800985",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01836",NA,"Present",NA,NA
+"1837","BRD-K78574327",NA,NA,NA,NA,NA,NA,NA,"BRD-K78574327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01837",NA,"Present",NA,NA
+"1838","BRD-K19103580",NA,NA,NA,NA,NA,NA,NA,"BRD-K19103580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01838",NA,"Present",NA,NA
+"1839","BRD-K30019337",NA,NA,NA,NA,NA,NA,NA,"BRD-K30019337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01839",NA,"Present",NA,NA
+"1840","BRD-K84807411",NA,NA,NA,NA,NA,NA,NA,"BRD-K84807411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01840",NA,"Present",NA,NA
+"1841","BRD-K44224150",NA,NA,NA,NA,NA,NA,NA,"BRD-K44224150",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01841",NA,"Present",NA,NA
+"1842","BRD-K75293299",NA,NA,NA,NA,NA,NA,NA,"BRD-K75293299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01842",NA,"Present",NA,NA
+"1843","BRD-K64610608",NA,NA,NA,NA,NA,NA,NA,"BRD-K64610608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01843",NA,"Present",NA,NA
+"1844","BRD-K02251932",NA,NA,NA,NA,NA,NA,NA,"BRD-K02251932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01844",NA,"Present",NA,NA
+"1845","BRD-K55116708",NA,NA,NA,NA,NA,NA,NA,"BRD-K55116708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(cc2)C(=O)Nc3ccccc3N)Oc4c(NC(=O)Nc5ccccc5)cccc4C1=O",NA,NA,NA,"PDBC01845",NA,"Present",NA,NA
+"1846","BRD-K41334119",NA,NA,NA,NA,NA,NA,NA,"BRD-K41334119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01846",NA,"Present",NA,NA
+"1847","BRD-K34485477",NA,NA,NA,NA,NA,NA,NA,"BRD-K34485477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01847",NA,"Present",NA,NA
+"1848","BRD-K16147474",NA,NA,NA,NA,NA,NA,NA,"BRD-K16147474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01848",NA,"Present",NA,NA
+"1849","BRD-K29086754",NA,NA,NA,NA,NA,NA,NA,"BRD-K29086754",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01849",NA,"Present",NA,NA
+"1850","BRD-K33199242",NA,NA,NA,NA,NA,NA,NA,"BRD-K33199242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01850",NA,"Present",NA,NA
+"1851","BRD-K52037352",NA,NA,NA,NA,NA,NA,NA,"BRD-K52037352",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01851",NA,"Present",NA,NA
+"1852","BRD-K27986637",NA,NA,NA,NA,NA,NA,NA,"BRD-K27986637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc3OCCOc3c2)OCc4cn(CCCC1=O)nn4",NA,NA,NA,"PDBC01852",NA,"Present",NA,NA
+"1853","BRD-K37390332",NA,NA,NA,NA,NA,NA,NA,"BRD-K37390332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01853",NA,"Present",NA,NA
+"1854","BRD-K50799972",NA,NA,NA,NA,NA,NA,NA,"BRD-K50799972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccccc1-c1cccc(c1)-c1nc(cc2CN([C@@H](CCO)c12)[S@@](=O)C(C)(C)C)C(=O)NCc1ccncc1",NA,NA,NA,"PDBC01854",NA,"Present",NA,NA
+"1855","BRD-K17060750",NA,NA,NA,NA,NA,NA,NA,"BRD-K17060750",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01855",NA,"Present",NA,NA
+"1856","Linifanib",NA,NA,NA,NA,NA,NA,NA,"linifanib",NA,NA,NA,"Linifanib",NA,NA,"Linifanib",NA,"Linifanib (ABT-869)",NA,NA,"Linifanib","linifanib","Cc1ccc(F)c(NC(=O)Nc2ccc(cc2)-c2cccc3[nH]nc(N)c23)c1",NA,11485656,NA,"PDBC01856","800783///764237","Present",NA,NA
+"1857","Canertinib",NA,NA,NA,NA,NA,NA,NA,"canertinib",NA,NA,NA,NA,NA,NA,"CI-1033",NA,"Canertinib (CI-1033)",NA,NA,"PD183805///Canertinib","canertinib","Fc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)c(NC(=O)C=C)cc23)cc1Cl",NA,156414,NA,"PDBC01857","780019///801011","Present",NA,NA
+"1858","Masitinib",NA,NA,NA,NA,NA,NA,NA,"masitinib",NA,NA,NA,"Masitinib",NA,NA,"Masitinib",NA,"Masitinib (AB-1010)",NA,NA,"Masitinib","masitinib","CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nc(cs3)-c3cccnc3)c2)CC1",NA,10074640,NA,"PDBC01858","755400///800789","Present",NA,NA
+"1859","ZSTK474",NA,NA,NA,NA,NA,NA,NA,"ZSTK474",NA,NA,NA,"ZSTK474",NA,NA,"ZSTK474",NA,NA,NA,NA,"ZSTK474///ZSTK-474","ZSTK-474","FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1",NA,11647372,NA,"PDBC01859","800993///764516","Present",NA,NA
+"1860","Brivanib",NA,NA,NA,NA,NA,NA,NA,"brivanib",NA,NA,NA,NA,NA,NA,"Brivanib, BMS-540215",NA,NA,NA,NA,"Brivanib",NA,"C[C@@H](O)COc1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C",NA,11234052,NA,"PDBC01860","764481","Present",NA,NA
+"1861","GDC-0879",NA,NA,NA,NA,NA,NA,NA,"GDC-0879",NA,NA,NA,NA,NA,NA,NA,NA,"GDC-0879",NA,NA,NA,"GDC-0879","OCCn1cc(c(n1)-c1ccncc1)-c1ccc2c(CC\C2=N/O)c1",NA,11717001,NA,"PDBC01861",NA,"Present",NA,NA
+"1862","SNS-032",NA,NA,NA,NA,NA,NA,NA,"SNS-032",NA,NA,NA,NA,NA,NA,NA,NA,"SNS-032 (BMS-387032)",NA,NA,"BMS-387032","BMS-387032",NA,NA,3025986,NA,"PDBC01862","799362///767048","Present","SNS-032",NA
+"1863","Ku-0063794",NA,NA,NA,NA,NA,NA,NA,"KU-0063794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ku-0063794","COc1ccc(cc1CO)-c1ccc2c(nc(nc2n1)N1C[C@H](C)O[C@H](C)C1)N1CCOCC1",NA,16736978,NA,"PDBC01863",NA,"Present",NA,NA
+"1864","Met Kinase Inhibitor",NA,NA,NA,NA,NA,NA,NA,"SU11274",NA,NA,NA,NA,NA,NA,"SU11274",NA,"SU11274",NA,NA,NA,NA,"CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1",NA,9549297,NA,"PDBC01864",NA,"Present",NA,NA
+"1865","BRD-K88742110",NA,NA,NA,NA,NA,NA,NA,"BRD-K88742110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1",NA,NA,NA,"PDBC01865",NA,"Present",NA,NA
+"1866","StemRegenin 1",NA,NA,NA,NA,NA,NA,NA,"StemRegenin 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stemregenin-1",NA,NA,46199207,NA,"PDBC01866",NA,"Present",NA,NA
+"1867","ML239",NA,NA,NA,NA,NA,NA,NA,"ML239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,49843203,NA,"PDBC01867",NA,"Present",NA,NA
+"1868","BRD-K51490254",NA,NA,NA,NA,NA,NA,NA,"BRD-K51490254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"-666",NA,NA,NA,"PDBC01868",NA,"Present",NA,NA
+"1869","BRD-K85133207",NA,NA,NA,NA,NA,NA,NA,"BRD-K85133207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01869",NA,"Present",NA,NA
+"1870","Repligen 136",NA,NA,NA,NA,NA,NA,NA,"Repligen 136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01870",NA,"Present",NA,NA
+"1871","Nintedanib",NA,NA,NA,NA,NA,NA,NA,"nintedanib",NA,NA,NA,NA,NA,NA,"BIBF-1120",NA,"Vargetef",NA,NA,"Intedanib","nintedanib","CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=CC(=C5)C(=O)OC)O","CPMDPSXJELVGJG-UHFFFAOYSA-N",135423438,TRUE,"PDBC01871","757442///756659","Present",NA,NA
+"1872","Regorafenib",NA,NA,NA,NA,NA,NA,NA,"regorafenib",NA,NA,NA,NA,NA,NA,NA,NA,"Regorafenib (BAY 73-4506)",NA,NA,"Regorafenib","regorafenib",NA,NA,11167602,TRUE,"PDBC01872","800865///763932","Present",NA,NA
+"1873","WZ8040",NA,NA,NA,NA,NA,NA,NA,"WZ8040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WZ8040",NA,NA,44607531,NA,"PDBC01873",NA,"Present",NA,NA
+"1874","Osi-930",NA,NA,NA,NA,NA,NA,NA,"OSI-930",NA,NA,NA,"OSI-930",NA,NA,"OSI-930",NA,NA,NA,NA,"OSI-930","OSI-930","FC(F)(F)Oc1ccc(NC(=O)c2sccc2NCc2ccnc3ccccc23)cc1",NA,9868037,NA,"PDBC01874","766887","Present",NA,NA
+"1875","MGCD-265 analog",NA,NA,NA,NA,NA,NA,NA,"MGCD-265",NA,NA,NA,NA,NA,NA,NA,NA,"MGCD-265",NA,NA,NA,"MGCD-265","Cn1cnc(c1)-c1cc2nccc(Oc3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3F)c2s1",NA,24901704,NA,"PDBC01875",NA,"Present",NA,NA
+"1876","Lenvatinib",NA,NA,NA,NA,NA,NA,NA,"lenvatinib",NA,NA,NA,NA,NA,NA,NA,NA,"Lenvatinib",NA,NA,"Lenvatinib","lenvatinib",NA,NA,9823820,TRUE,"PDBC01876","755980","Present",NA,NA
+"1877","BRD-K29313308",NA,NA,NA,NA,NA,NA,NA,"BRD-K29313308",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01877",NA,"Present",NA,NA
+"1878","Sgx-523",NA,NA,NA,NA,NA,NA,NA,"SGX-523",NA,NA,NA,NA,NA,NA,NA,NA,"SGX-523",NA,NA,"SGX-523",NA,"Cn1cc(cn1)-c1ccc2nnc(Sc3ccc4ncccc4c3)n2n1",NA,24779724,NA,"PDBC01878","758591","Present",NA,NA
+"1879","Sonidegib",NA,NA,NA,NA,NA,NA,NA,"erismodegib",NA,NA,NA,NA,NA,"NVP-LDE225",NA,NA,NA,NA,NA,"Sonidegib","sonidegib","C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1",NA,24775005,NA,"PDBC01879","761385///761386","Present",NA,NA
+"1880","Alisertib",NA,NA,NA,NA,NA,NA,NA,"alisertib",NA,NA,NA,NA,NA,"MLN-8237","Alisertib",NA,"Alisertib (MLN8237)",NA,NA,"Alisertib","alisertib","COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O",NA,24771867,NA,"PDBC01880","759677","Present",NA,NA
+"1881","Ruxolitinib",NA,NA,NA,NA,NA,NA,NA,"ruxolitinib",NA,NA,NA,"Ruxolitinib",NA,NA,"Ruxolitinib",NA,"Ruxolitinib (INCB018424)","Ruxolitinib",NA,"Ruxolitinib","ruxolitinib","N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12",NA,25126798,TRUE,"PDBC01881","763371","Present","ruxolitinib",NA
+"1882","SB-525334",NA,NA,NA,NA,NA,NA,NA,"SB-525334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-525334","Cc1cccc(n1)-c1[nH]c(nc1-c1ccc2nccnc2c1)C(C)(C)C",NA,9967941,NA,"PDBC01882",NA,"Present",NA,NA
+"1883","Pha-793887",NA,NA,NA,NA,NA,NA,NA,"PHA-793887",NA,NA,NA,"PHA-793887",NA,NA,"PHA-793887",NA,NA,NA,NA,"PHA-793887","PHA-793887","CC(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C1CCN(C)CC1)C2(C)C",NA,46191454,NA,"PDBC01883","800851","Present",NA,NA
+"1884","Quizartinib",NA,NA,NA,NA,NA,NA,NA,"quizartinib",NA,NA,NA,"AC220",NA,NA,"Quizartinib",NA,"Quizartinib (AC220)","Quizartinib",NA,"Quizartinib","quizartinib","CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(n2)sc2cc(OCCN4CCOCC4)ccc32)no1",NA,24889392,NA,"PDBC01884","799659///756647///800857","Present",NA,NA
+"1885","Fingolimod",NA,NA,NA,NA,NA,NA,NA,"fingolimod",NA,NA,NA,NA,NA,NA,"FTY-720",NA,NA,NA,NA,"FTY720",NA,NA,NA,107970,TRUE,"PDBC01885","755643","Present","fingolimod",NA
+"1886","BRD-K24690302",NA,NA,NA,NA,NA,NA,NA,"BRD-K24690302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01886",NA,"Present",NA,NA
+"1887","BRD-K70511574",NA,NA,NA,NA,NA,NA,NA,"BRD-K70511574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01887",NA,"Present",NA,NA
+"1888","BRD-K20514654",NA,NA,NA,NA,NA,NA,NA,"BRD-K20514654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01888",NA,"Present",NA,NA
+"1889","BRD-K28456706",NA,NA,NA,NA,NA,NA,NA,"BRD-K28456706",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01889",NA,"Present",NA,NA
+"1890","STF-31",NA,NA,NA,NA,NA,NA,NA,"STF-31",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,984333,NA,"PDBC01890",NA,"Present",NA,NA
+"1891","spautin-1",NA,NA,NA,NA,NA,NA,NA,"spautin-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,51037431,NA,"PDBC01891",NA,"Present",NA,NA
+"1892","BRD-A02303741",NA,NA,NA,NA,NA,NA,NA,"BRD-A02303741",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01892",NA,"Present",NA,NA
+"1893","ML320",NA,NA,NA,NA,NA,NA,NA,"ML320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01893",NA,"Present",NA,NA
+"1894","Tigecycline",NA,NA,NA,NA,NA,NA,NA,"tigecycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(cc(NC(=O)CNC(C)(C)C)c(O)c4C(=O)C3C(=O)[C@]2(O)C(=O)C(C(N)=O)C1=O)N(C)C",NA,54686904,TRUE,"PDBC01894",NA,"Present",NA,NA
+"1895","BRD-K34099515",NA,NA,NA,NA,NA,NA,NA,"BRD-K34099515",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01895",NA,"Present",NA,NA
+"1896","PF-543",NA,NA,NA,NA,NA,NA,NA,"PF-543",NA,NA,NA,NA,NA,NA,"Sphingosine Kinase 1 Inhibitor II",NA,NA,NA,NA,NA,NA,"Cc1cc(CS(=O)(=O)c2ccccc2)cc(OCc2ccc(CN3CCC[C@@H]3CO)cc2)c1",NA,66577038,NA,"PDBC01896",NA,"Present",NA,NA
+"1897","PF-573228",NA,NA,NA,NA,NA,NA,NA,"PF-573228",NA,NA,NA,NA,NA,"PF-573228",NA,NA,NA,NA,NA,NA,"PF-573228",NA,NA,11612883,NA,"PDBC01897",NA,"Present",NA,NA
+"1898","ceranib-2",NA,NA,NA,NA,NA,NA,NA,"ceranib-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,122388991,NA,"PDBC01898",NA,"Present",NA,NA
+"1899","FSC231",NA,NA,NA,NA,NA,NA,NA,"FSC231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01899",NA,"Present",NA,NA
+"1900","968",NA,NA,NA,NA,NA,NA,NA,"968",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01900",NA,"Present",NA,NA
+"1901","GSK4112",NA,NA,NA,NA,NA,NA,NA,"GSK4112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,50905018,NA,"PDBC01901",NA,"Present",NA,NA
+"1902","HC-067047",NA,NA,NA,NA,NA,NA,NA,"HC-067047",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,2742550,NA,"PDBC01902",NA,"Present",NA,NA
+"1903","IPR-456",NA,NA,NA,NA,NA,NA,NA,"IPR-456",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01903",NA,"Present",NA,NA
+"1904","Leptomycin B",NA,NA,NA,NA,NA,NA,NA,"leptomycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,6917907,NA,"PDBC01904",NA,"Present",NA,NA
+"1905","AZ-3146",NA,NA,NA,NA,NA,NA,NA,"AZ-3146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZ3146",NA,NA,56973724,NA,"PDBC01905",NA,"Present",NA,NA
+"1906","VU0155056",NA,NA,NA,NA,NA,NA,NA,"VU0155056",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01906",NA,"Present",NA,NA
+"1907","JQ-1:UNC0638 (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"JQ-1:UNC0638 (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01907",NA,"Present",NA,NA
+"1908","vorinostat:carboplatin (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"vorinostat:carboplatin (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01908",NA,"Present",NA,NA
+"1909","serdemetan:SCH-529074 (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"serdemetan:SCH-529074 (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01909",NA,"Present",NA,NA
+"1910","selumetinib:PLX-4032 (8:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:PLX-4032 (8:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01910",NA,"Present",NA,NA
+"1911","sirolimus:bortezomib (250:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"sirolimus:bortezomib (250:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01911",NA,"Present",NA,NA
+"1912","BRD-K97651142",NA,NA,NA,NA,NA,NA,NA,"BRD-K97651142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01912",NA,"Present",NA,NA
+"1913","Vorapaxar",NA,NA,NA,NA,NA,NA,NA,"vorapaxar",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,10077130,TRUE,"PDBC01913",NA,"Present",NA,NA
+"1914","BRD-K79669418",NA,NA,NA,NA,NA,NA,NA,"BRD-K79669418",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01914",NA,"Present",NA,NA
+"1915","BRD-K99584050",NA,NA,NA,NA,NA,NA,NA,"BRD-K99584050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01915",NA,"Present",NA,NA
+"1916","BRD-A71883111",NA,NA,NA,NA,NA,NA,NA,"BRD-A71883111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01916",NA,"Present",NA,NA
+"1917","navitoclax:birinapant (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"navitoclax:birinapant (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01917",NA,"Present",NA,NA
+"1918","ISOX:bortezomib (250:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"ISOX:bortezomib (250:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01918",NA,"Present",NA,NA
+"1919","selumetinib:GDC-0941 (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:GDC-0941 (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01919",NA,"Present",NA,NA
+"1920","selumetinib:tretinoin (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:tretinoin (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01920",NA,"Present",NA,NA
+"1921","selumetinib:vorinostat (8:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:vorinostat (8:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01921",NA,"Present",NA,NA
+"1922","selumetinib:BRD-A02303741 (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:BRD-A02303741 (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01922",NA,"Present",NA,NA
+"1923","tretinoin:navitoclax (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"tretinoin:navitoclax (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01923",NA,"Present",NA,NA
+"1924","decitabine:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"decitabine:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01924",NA,"Present",NA,NA
+"1925","tretinoin:carboplatin (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"tretinoin:carboplatin (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01925",NA,"Present",NA,NA
+"1926","Necrostatin-7",NA,NA,NA,NA,NA,NA,NA,"necrostatin-7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,1239801,NA,"PDBC01926",NA,"Present",NA,NA
+"1927","Lomeguatrib",NA,NA,NA,NA,NA,NA,NA,"lomeguatrib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lomeguatrib",NA,NA,NA,3025944,NA,"PDBC01927","787251","Present",NA,NA
+"1928","tanespimycin:gemcitabine (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"tanespimycin:gemcitabine (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01928",NA,"Present",NA,NA
+"1929","docetaxel:tanespimycin (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"docetaxel:tanespimycin (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01929",NA,"Present",NA,NA
+"1930","selumetinib:MK-2206 (8:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:MK-2206 (8:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01930",NA,"Present",NA,NA
+"1931","navitoclax:PLX-4032 (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"navitoclax:PLX-4032 (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01931",NA,"Present",NA,NA
+"1932","selumetinib:piperlongumine (8:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:piperlongumine (8:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01932",NA,"Present",NA,NA
+"1933","tanespimycin:bortezomib (250:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"tanespimycin:bortezomib (250:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01933",NA,"Present",NA,NA
+"1934","navitoclax:MST-312 (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"navitoclax:MST-312 (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01934",NA,"Present",NA,NA
+"1935","carboplatin:etoposide (40:17 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"carboplatin:etoposide (40:17 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01935",NA,"Present",NA,NA
+"1936","piperlongumine:MST-312 (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"piperlongumine:MST-312 (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01936",NA,"Present",NA,NA
+"1937","navitoclax:gemcitabine (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"navitoclax:gemcitabine (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01937",NA,"Present",NA,NA
+"1938","JW-480",NA,NA,NA,NA,NA,NA,NA,"JW-480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,57330099,NA,"PDBC01938",NA,"Present",NA,NA
+"1939","BMS-195614",NA,NA,NA,NA,NA,NA,NA,"BMS-195614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,445091,NA,"PDBC01939",NA,"Present",NA,NA
+"1940","BRD-K07442505",NA,NA,NA,NA,NA,NA,NA,"BRD-K07442505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01940",NA,"Present",NA,NA
+"1941","BRD-K35604418",NA,NA,NA,NA,NA,NA,NA,"BRD-K35604418",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01941",NA,"Present",NA,NA
+"1942","SB-743921",NA,NA,NA,NA,NA,NA,NA,"SB-743921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-743921",NA,NA,9936388,NA,"PDBC01942",NA,"Present",NA,NA
+"1943","Molibresib",NA,NA,NA,NA,NA,NA,NA,"GSK525762A",NA,NA,NA,"I-BET-762",NA,"I-BET","I-BET-762",NA,NA,NA,NA,"I-BET-762","I-BET-762",NA,NA,46943432,NA,"PDBC01943","774829","Present",NA,NA
+"1944","navitoclax:pluripotin (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"navitoclax:pluripotin (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01944",NA,"Present",NA,NA
+"1945","JQ-1:carboplatin (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"JQ-1:carboplatin (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01945",NA,"Present",NA,NA
+"1946","selumetinib:navitoclax (8:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:navitoclax (8:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01946",NA,"Present",NA,NA
+"1947","selumetinib:decitabine (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:decitabine (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01947",NA,"Present",NA,NA
+"1948","SNX-2112:bortezomib (250:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"SNX-2112:bortezomib (250:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01948",NA,"Present",NA,NA
+"1949","JQ-1:MK-0752 (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"JQ-1:MK-0752 (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01949",NA,"Present",NA,NA
+"1950","BRD-A02303741:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"BRD-A02303741:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01950",NA,"Present",NA,NA
+"1951","salermide:PLX-4032 (12:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"salermide:PLX-4032 (12:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01951",NA,"Present",NA,NA
+"1952","UNC0638:navitoclax (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"UNC0638:navitoclax (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01952",NA,"Present",NA,NA
+"1953","BRD-A02303741:carboplatin (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"BRD-A02303741:carboplatin (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01953",NA,"Present",NA,NA
+"1954","doxorubicin:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"doxorubicin:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01954",NA,"Present",NA,NA
+"1955","selumetinib:UNC0638 (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:UNC0638 (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01955",NA,"Present",NA,NA
+"1956","alisertib:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"alisertib:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01956",NA,"Present",NA,NA
+"1957","navitoclax:sorafenib (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"navitoclax:sorafenib (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01957",NA,"Present",NA,NA
+"1958","navitoclax:piperlongumine (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"navitoclax:piperlongumine (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01958",NA,"Present",NA,NA
+"1959","SMER-3",NA,NA,NA,NA,NA,NA,NA,"SMER-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,568763,NA,"PDBC01959",NA,"Present",NA,NA
+"1960","NVP-ADW742",NA,NA,NA,NA,NA,NA,NA,"NVP-ADW742",NA,NA,NA,NA,NA,NA,"NVP-ADW742",NA,"NVP-ADW742",NA,NA,"ADW-742",NA,NA,NA,9825149,NA,"PDBC01960","767746","Present",NA,NA
+"1961","Clofarabine",NA,NA,NA,NA,NA,NA,NA,"clofarabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clofarabine","Clofarabine  ","Clofarabine","clofarabine","Nc1nc(Cl)nc2n(cnc12)C3OC(CO)C(O)C3F","WDDPHFBMKLOVOX-UHFFFAOYSA-N",119182,TRUE,"PDBC01961","606869///759857","Present",NA,NA
+"1962","vorinostat:navitoclax (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"vorinostat:navitoclax (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01962",NA,"Present",NA,NA
+"1963","XL765",NA,NA,NA,NA,NA,NA,NA,"XL765",NA,NA,NA,NA,NA,NA,"Voxtalisib",NA,NA,NA,NA,"NSC755808///SAR-245409///Exelixis pI3K inhibitor",NA,NA,NA,49867926,NA,"PDBC01963","755808///768100///800992","Present",NA,NA
+"1964","ML258",NA,NA,NA,NA,NA,NA,NA,"ML258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,53301938,NA,"PDBC01964",NA,"Present",NA,NA
+"1965","SR1001",NA,NA,NA,NA,NA,NA,NA,"SR1001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,44241473,NA,"PDBC01965",NA,"Present",NA,NA
+"1966","BMS-270394",NA,NA,NA,NA,NA,NA,NA,"BMS-270394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,445455,NA,"PDBC01966",NA,"Present",NA,NA
+"1967","Azd4547",NA,NA,NA,NA,NA,NA,NA,"AZD4547",NA,NA,NA,NA,NA,"AZD-4547","AZD4547",NA,NA,NA,NA,"AZD-4547","AZD4547",NA,NA,51039095,NA,"PDBC01967","799346///764239","Present",NA,NA
+"1968","Hyperforin",NA,NA,NA,NA,NA,NA,NA,"hyperforin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC(C)C(=O)[C@@]12C(=O)C(CC=C(C)C)C(=O)[C@@](CC=C(C)C)(C[C@H](CC=C(C)C)[C@@]1(C)CCC=C(C)C)C2=O",NA,441298,NA,"PDBC01968",NA,"Present",NA,NA
+"1969","NVP-231",NA,NA,NA,NA,NA,NA,NA,"NVP-231",NA,NA,NA,NA,NA,"NVP-231",NA,NA,NA,NA,NA,NA,NA,NA,NA,4096211,NA,"PDBC01969",NA,"Present",NA,NA
+"1970","MK-0752",NA,NA,NA,NA,NA,NA,NA,"MK-0752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-0752///SRI-013070",NA,NA,NA,9803433,NA,"PDBC01970","762829///762832///762831","Present",NA,NA
+"1971","Semagacestat",NA,NA,NA,NA,NA,NA,NA,"semagacestat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Semagacestat",NA,NA,NA,9843750,NA,"PDBC01971","755982","Present",NA,NA
+"1972","Rigosertib",NA,NA,NA,NA,NA,NA,NA,"rigosertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rigosertib (ON 01910. Na)",NA,"Rigosertib","rigosertib",NA,NA,6918736,NA,"PDBC01972","754344///800868","Present",NA,NA
+"1973","PD318088",NA,NA,NA,NA,NA,NA,NA,"PD318088",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PD-318088",NA,NA,10231331,NA,"PDBC01973",NA,"Present",NA,NA
+"1974","KU-60019",NA,NA,NA,NA,NA,NA,NA,"KU-60019",NA,NA,NA,NA,NA,NA,"KU-60019",NA,NA,NA,NA,NA,NA,"CC1CN(CC(=O)Nc2ccc3Sc4c(Cc3c2)cccc4-c2cc(=O)cc(o2)N2CCOCC2)CC(C)O1",NA,15953870,NA,"PDBC01974",NA,"Present",NA,NA
+"1975","KW-2449",NA,NA,NA,NA,NA,NA,NA,"KW-2449",NA,NA,NA,NA,NA,NA,NA,NA,"KW-2449",NA,NA,"KW-2449","KW-2449",NA,NA,11427553,NA,"PDBC01975","800778///759675","Present",NA,NA
+"1976","Silmitasertib",NA,NA,NA,NA,NA,NA,NA,"silmitasertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Silmitasertib","CX-4945",NA,NA,24748573,NA,"PDBC01976","800885///761193","Present",NA,NA
+"1977","BRD-K03911514",NA,NA,NA,NA,NA,NA,NA,"BRD-K03911514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01977",NA,"Present",NA,NA
+"1978","BRD-K16130065",NA,NA,NA,NA,NA,NA,NA,"BRD-K16130065",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01978",NA,"Present",NA,NA
+"1979","Momelotinib",NA,NA,NA,NA,NA,NA,NA,"momelotinib",NA,NA,NA,NA,NA,"CYT-387",NA,NA,"CYT387",NA,NA,"Momelotinib","cyt387",NA,NA,25062766,NA,"PDBC01979","767598///800800","Present",NA,NA
+"1980","Idelalisib",NA,NA,NA,NA,NA,NA,NA,"CAL-101","CAL-101",NA,NA,"CAL-101",NA,NA,"Idelalisib",NA,"Idelalisib",NA,NA,"Idelalisib","idelalisib",NA,NA,11625818,NA,"PDBC01980","759224","Present",NA,NA
+"1981","Galunisertib",NA,NA,NA,NA,NA,NA,NA,"LY-2157299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Galunisertib",NA,NA,NA,10090485,NA,"PDBC01981","761216","Present",NA,NA
+"1982","Degrasyn",NA,NA,NA,NA,NA,NA,NA,"WP1130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WP1130",NA,NA,11222830,NA,"PDBC01982",NA,"Present",NA,NA
+"1983","Osi-027",NA,NA,NA,NA,NA,NA,NA,"OSI-027",NA,NA,NA,"OSI-027",NA,NA,"OSI-027",NA,NA,NA,NA,"OSI-027","OSI-027","COc1cccc2cc([nH]c12)-c1nc([C@@H]2CC[C@@H](CC2)C(O)=O)n2ncnc(N)c12",NA,44224160,NA,"PDBC01983","800810///759660","Present",NA,NA
+"1984","NVP-BSK805",NA,NA,NA,NA,NA,NA,NA,"NVP-BSK805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,46398810,NA,"PDBC01984",NA,"Present",NA,NA
+"1985","erlotinib:PLX-4032 (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"erlotinib:PLX-4032 (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01985",NA,"Present",NA,NA
+"1986","PIK-93",NA,NA,NA,NA,NA,NA,NA,"PIK-93",NA,NA,NA,"PIK-93",NA,NA,"PIK-93",NA,NA,NA,NA,NA,NA,NA,NA,6852167,NA,"PDBC01986",NA,"Present",NA,NA
+"1987","Birinapant",NA,NA,NA,NA,NA,NA,NA,"birinapant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Birinapant","birinapant",NA,NA,49836020,NA,"PDBC01987","767128","Present",NA,NA
+"1988","KX2-391",NA,NA,NA,NA,NA,NA,NA,"KX2-391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KX2-391///KX-01","KX2-391",NA,NA,23635314,NA,"PDBC01988","800779///756643","Present",NA,NA
+"1989","3-Cl-AHPC",NA,NA,NA,NA,NA,NA,NA,"3-Cl-AHPC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,9866186,NA,"PDBC01989",NA,"Present",NA,NA
+"1990","BRD-K58730230",NA,NA,NA,NA,NA,NA,NA,"BRD-K58730230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01990",NA,"Present",NA,NA
+"1991","BRD-K27188169",NA,NA,NA,NA,NA,NA,NA,"BRD-K27188169",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01991",NA,"Present",NA,NA
+"1992","KHS101",NA,NA,NA,NA,NA,NA,NA,"KHS101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,71304818,NA,"PDBC01992",NA,"Present",NA,NA
+"1993","Turofexorate isopropyl",NA,NA,NA,NA,NA,NA,NA,"WAY-362450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,10026128,NA,"PDBC01993",NA,"Present",NA,NA
+"1994","JQ-1:vorinostat (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"JQ-1:vorinostat (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01994",NA,"Present",NA,NA
+"1995","BRD-K13185470",NA,NA,NA,NA,NA,NA,NA,"BRD-K13185470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01995",NA,"Present",NA,NA
+"1996","crizotinib:PLX-4032 (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"crizotinib:PLX-4032 (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01996",NA,"Present",NA,NA
+"1997","BRD-K27188169:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"BRD-K27188169:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01997",NA,"Present",NA,NA
+"1998","BRD-K03536150",NA,NA,NA,NA,NA,NA,NA,"BRD-K03536150",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01998",NA,"Present",NA,NA
+"1999","BRD-K34222889",NA,NA,NA,NA,NA,NA,NA,"BRD-K34222889",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC01999",NA,"Present",NA,NA
+"2000","BRD-K09587429",NA,NA,NA,NA,NA,NA,NA,"BRD-K09587429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02000",NA,"Present",NA,NA
+"2001","Tandutinib",NA,NA,NA,NA,NA,NA,NA,"tandutinib",NA,NA,NA,NA,NA,NA,NA,NA,"Tandutinib (MLN518)",NA,NA,"Tandutinib","tandutinib","COc1cc2c(ncnc2cc1OCCCN3CCCCC3)N4CCN(CC4)C(=O)Nc5ccc(OC(C)C)cc5",NA,3038522,NA,"PDBC02001","760841","Present",NA,NA
+"2002","TG-100-115",NA,NA,NA,NA,NA,NA,NA,"TG-100-115",NA,NA,NA,NA,NA,NA,NA,NA,"TG100-115",NA,NA,NA,"TG100-115","Nc1nc(N)c2nc(-c3cccc(O)c3)c(nc2n1)-c1cccc(O)c1",NA,10427712,NA,"PDBC02002",NA,"Present",NA,NA
+"2003","carboplatin:UNC0638 (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"carboplatin:UNC0638 (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02003",NA,"Present",NA,NA
+"2004","selumetinib:JQ-1 (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"selumetinib:JQ-1 (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02004",NA,"Present",NA,NA
+"2005","decitabine:carboplatin (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"decitabine:carboplatin (1:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02005",NA,"Present",NA,NA
+"2006","JQ-1:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"JQ-1:navitoclax (2:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02006",NA,"Present",NA,NA
+"2007","Elocalcitol",NA,NA,NA,NA,NA,NA,NA,"elocalcitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,11396600,NA,"PDBC02007",NA,"Present",NA,NA
+"2008","Cabozantinib",NA,NA,NA,NA,NA,NA,NA,"cabozantinib",NA,NA,NA,"XL-184",NA,NA,"Cabozantinib",NA,"Cabozantinib",NA,NA,"Cabozantinib","cabozantinib",NA,NA,25102847,TRUE,"PDBC02008","761068///800066///757436","Present",NA,NA
+"2009","BRD-K26531177",NA,NA,NA,NA,NA,NA,NA,"BRD-K26531177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02009",NA,"Present",NA,NA
+"2010","BMS-345541 free base",NA,NA,NA,NA,NA,NA,NA,"BMS-345541",NA,NA,NA,"BMS345541",NA,NA,"BMS-345541",NA,"BMS-345541",NA,NA,NA,"BMS-345541","Cc1cnc2c(NCCN)nc3ccc(C)cc3n12",NA,9926054,NA,"PDBC02010",NA,"Present",NA,NA
+"2011","Mdivi-1",NA,NA,NA,NA,NA,NA,NA,"Mdivi-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,3825829,NA,"PDBC02011",NA,"Present",NA,NA
+"2012","Ki8751",NA,NA,NA,NA,NA,NA,NA,"Ki8751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KI-8751","COc1cc2nccc(Oc3ccc(NC(=O)Nc4ccc(F)cc4F)c(F)c3)c2cc1OC",NA,11317348,NA,"PDBC02012",NA,"Present",NA,NA
+"2013","Barasertib",NA,NA,NA,NA,NA,NA,NA,"barasertib",NA,NA,NA,NA,NA,NA,NA,NA,"Barasertib (AZD1152-HQPA)","Barasertib ( AZD1152)",NA,"Barasertib","barasertib","CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1",NA,11497983,NA,"PDBC02013","757444","Present",NA,NA
+"2014","YL54",NA,NA,NA,NA,NA,NA,NA,"YL54",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)CCNC(C)=O)C(=O)N[C@]1(C)CCC\C=C/CCC[C@@](C)(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O",NA,NA,NA,"PDBC02014",NA,"Present",NA,NA
+"2015","PF-184",NA,NA,NA,NA,NA,NA,NA,"PF-184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02015",NA,"Present",NA,NA
+"2016","AT7867",NA,NA,NA,NA,NA,NA,NA,"AT7867",NA,NA,NA,NA,NA,NA,"AT7867",NA,NA,NA,NA,NA,"AT7867","Clc1ccc(cc1)C1(CCNCC1)c1ccc(cc1)-c1cn[nH]c1",NA,11175137,NA,"PDBC02016",NA,"Present",NA,NA
+"2017","PD 153035",NA,NA,NA,NA,NA,NA,NA,"PD 153035",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PD-153035",NA,NA,4705,NA,"PDBC02017",NA,"Present",NA,NA
+"2018","Tacedinaline",NA,NA,NA,NA,NA,NA,NA,"tacedinaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tacedinaline","CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2N",NA,2746,NA,"PDBC02018",NA,"Present",NA,NA
+"2019","BRD-K09344309",NA,NA,NA,NA,NA,NA,NA,"BRD-K09344309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02019",NA,"Present",NA,NA
+"2020","Isonicotinohydroxamic acid",NA,NA,NA,NA,NA,NA,NA,"isonicotinohydroxamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ONC(=O)c1ccncc1",NA,72967,NA,"PDBC02020",NA,"Present",NA,NA
+"2021","LRRK2-IN-1",NA,NA,NA,NA,NA,NA,NA,"LRRK2-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,46843906,NA,"PDBC02021",NA,"Present",NA,NA
+"2022","KH-CB19",NA,NA,NA,NA,NA,NA,NA,"KH-CB19",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,44237094,NA,"PDBC02022",NA,"Present",NA,NA
+"2023","KPT185",NA,NA,NA,NA,NA,NA,NA,"KPT185",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KPT-185///NSC757568","KPT-185",NA,NA,53495165,NA,"PDBC02023","772595///757568","Present",NA,NA
+"2024","pitstop2",NA,NA,NA,NA,NA,NA,NA,"pitstop2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02024",NA,"Present",NA,NA
+"2025","Bemcentinib",NA,NA,NA,NA,NA,NA,NA,"R428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R-428",NA,NA,NA,46215462,NA,"PDBC02025","765262///824183","Present",NA,NA
+"2026","Ibrutinib",NA,NA,NA,NA,NA,NA,NA,"ibrutinib","Ibrutinib",NA,NA,NA,NA,NA,"Ibrutinib",NA,"Ibrutinib (PCI-32765)",NA,NA,"Ibrutinib","ibrutinib","Nc1ncnc2n(nc(-c3ccc(Oc4ccccc4)cc3)c12)C1CCCN(C1)C(=O)C=C",NA,24821094,TRUE,"PDBC02026","800769///761910","Present",NA,NA
+"2027","Sotrastaurin",NA,NA,NA,NA,NA,NA,NA,"sotrastaurin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sotrastaurin",NA,NA,NA,10296883,NA,"PDBC02027","766819","Present",NA,NA
+"2028","A-804598",NA,NA,NA,NA,NA,NA,NA,"A-804598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,53325874,NA,"PDBC02028",NA,"Present",NA,NA
+"2029","Incyclinide",NA,NA,NA,NA,NA,NA,NA,"COL-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NC(=O)C1C(=O)C[C@@H]2C[C@@H]3Cc4cccc(O)c4C(=O)C3C(=O)[C@]2(O)C1=O",NA,54678924,NA,"PDBC02029",NA,"Present",NA,NA
+"2030","Venetoclax",NA,NA,NA,NA,NA,NA,NA,"ABT-199",NA,NA,NA,NA,NA,NA,"Venetoclax///Venotoclax",NA,"Venetoclax","ABT 199",NA,"ABT-199","venetoclax",NA,NA,49846579,NA,"PDBC02030","766270","Present",NA,NA
+"2031","ETP-46464",NA,NA,NA,NA,NA,NA,NA,"ETP-46464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ETP-46464",NA,NA,72199292,NA,"PDBC02031",NA,"Present",NA,NA
+"2032","Marinopyrrole A",NA,NA,NA,NA,NA,NA,NA,"marinopyrrole A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"maritoclax///Maritoclax",NA,NA,NA,24797083,NA,"PDBC02032","781008///775790","Present",NA,NA
+"2033","Methylstat",NA,NA,NA,NA,NA,NA,NA,"methylstat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02033",NA,"Present",NA,NA
+"2034","Alpelisib",NA,NA,NA,NA,NA,NA,NA,"BYL-719",NA,"BYL719",NA,NA,NA,NA,"Alpelisib",NA,NA,NA,NA,"BYL-719","alpelisib",NA,NA,56649450,NA,"PDBC02034","800065///765974","Present",NA,NA
+"2035","GSK2636771",NA,NA,NA,NA,NA,NA,NA,"GSK2636771","GSK2636771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-2636771",NA,NA,NA,56949517,NA,"PDBC02035","768508","Present",NA,NA
+"2036","JW-74",NA,NA,NA,NA,NA,NA,NA,"JW-74",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02036",NA,"Present",NA,NA
+"2037","Necrosulfonamide",NA,NA,NA,NA,NA,NA,NA,"necrosulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,1566236,NA,"PDBC02037",NA,"Present",NA,NA
+"2038","HBX-41108",NA,NA,NA,NA,NA,NA,NA,"HBX-41108",NA,NA,NA,NA,NA,"HBX-41108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02038",NA,"Present",NA,NA
+"2039","Palmostatin B",NA,NA,NA,NA,NA,NA,NA,"palmostatin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,45100481,NA,"PDBC02039",NA,"Present",NA,NA
+"2040","JW-55",NA,NA,NA,NA,NA,NA,NA,"JW-55",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,2946601,NA,"PDBC02040",NA,"Present",NA,NA
+"2041","AT-406",NA,NA,NA,NA,NA,NA,NA,"AT-406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SM-406",NA,NA,NA,25022340,NA,"PDBC02041","764757","Present",NA,NA
+"2042","WZ4002",NA,NA,NA,NA,NA,NA,NA,"WZ4002",NA,NA,NA,NA,NA,"WZ4002",NA,NA,NA,NA,NA,"WZ-4002","WZ-4002","COc1cc(ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)C=C)c2)n1)N1CCN(C)CC1",NA,44607530,NA,"PDBC02042","755927","Present",NA,NA
+"2043","ML334 diastereomer",NA,NA,NA,NA,NA,NA,NA,"ML334 diastereomer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02043",NA,"Present",NA,NA
+"2044","BRD-K55473186",NA,NA,NA,NA,NA,NA,NA,"BRD-K55473186",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02044",NA,"Present",NA,NA
+"2045","VAF-347",NA,NA,NA,NA,NA,NA,NA,"VAF-347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02045",NA,"Present",NA,NA
+"2046","BRD-M00053801",NA,NA,NA,NA,NA,NA,NA,"BRD-M00053801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02046",NA,"Present",NA,NA
+"2047","BRD-K90370028",NA,NA,NA,NA,NA,NA,NA,"BRD-K90370028",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02047",NA,"Present",NA,NA
+"2048","Cediranib",NA,NA,NA,NA,NA,NA,NA,"cediranib",NA,NA,NA,NA,NA,NA,"Cediranib",NA,"Cediranib (AZD2171)",NA,NA,"Cediranib","cediranib","COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1",NA,9933475,NA,"PDBC02048","755606","Present",NA,NA
+"2049","BRD-K48477130",NA,NA,NA,NA,NA,NA,NA,"BRD-K48477130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02049",NA,"Present",NA,NA
+"2050","Azd-1480",NA,NA,NA,NA,NA,NA,NA,"AZD1480",NA,NA,NA,NA,NA,NA,"AZD1480",NA,"AZD1480",NA,NA,"AZD-1480","AZD1480","CC(Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1",NA,16659841,NA,"PDBC02050","756648","Present",NA,NA
+"2051","BRD-A05715709",NA,NA,NA,NA,NA,NA,NA,"BRD-A05715709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02051",NA,"Present",NA,NA
+"2052","BRD-K99006945",NA,NA,NA,NA,NA,NA,NA,"BRD-K99006945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02052",NA,"Present",NA,NA
+"2053","Tivantinib",NA,NA,NA,NA,NA,NA,NA,"tivantinib","Tivantinib",NA,NA,NA,NA,"Tivantinib",NA,NA,NA,NA,NA,"Tivantinib","tivantinib","O=C1NC(=O)[C@H]([C@@H]1c1c[nH]c2ccccc12)c1cn2CCCc3cccc1c23",NA,11494412,NA,"PDBC02053","758242///800951","Present",NA,NA
+"2054","RO4929097",NA,NA,NA,NA,NA,NA,NA,"RO4929097",NA,NA,NA,NA,NA,"RO4929097",NA,NA,NA,NA,NA,"RO-4929097",NA,NA,NA,49867930,NA,"PDBC02054","756650","Present",NA,NA
+"2055","Dinaciclib",NA,NA,NA,NA,NA,NA,NA,"dinaciclib",NA,NA,"Dinaciclib",NA,NA,NA,"Dinaciclib",NA,NA,NA,NA,"Dinaciclib","dinaciclib",NA,NA,46926350,NA,"PDBC02055","800091///764036","Present",NA,NA
+"2056","MLN2480",NA,NA,NA,NA,NA,NA,NA,"MLN2480","MLN_2480///MLN2480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MLN-2480",NA,NA,NA,25161177,NA,"PDBC02056","766906","Present",NA,NA
+"2057","BRD-K51831558",NA,NA,NA,NA,NA,NA,NA,"BRD-K51831558",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02057",NA,"Present",NA,NA
+"2058","Istradefylline",NA,NA,NA,NA,NA,NA,NA,"istradefylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"istradefylline",NA,NA,5311037,NA,"PDBC02058",NA,"Present",NA,NA
+"2059","MI-2",NA,NA,NA,NA,NA,NA,NA,"MI-2","MI-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,54765302,NA,"PDBC02059",NA,"Present",NA,NA
+"2060","BRD-K42260513",NA,NA,NA,NA,NA,NA,NA,"BRD-K42260513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02060",NA,"Present",NA,NA
+"2061","Alvocidib",NA,NA,NA,NA,NA,NA,NA,"alvocidib",NA,NA,NA,NA,NA,"Flavopiridol","Flavopiridol",NA,"Flavopiridol",NA,NA,"Alvocidib","alvocidib","CN1CC[C@@H]([C@H](O)C1)c1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1Cl",NA,5287969,NA,"PDBC02061","799330///649890","Present",NA,NA
+"2062","CBB-1007",NA,NA,NA,NA,NA,NA,NA,"CBB-1007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02062",NA,"Present",NA,NA
+"2063","BRD-A86708339",NA,NA,NA,NA,NA,NA,NA,"BRD-A86708339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02063",NA,"Present",NA,NA
+"2064","PF-03758309",NA,NA,NA,NA,NA,NA,NA,"PF-3758309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-03758309///PF-3758309","PF-03758309",NA,NA,25227462,NA,"PDBC02064","781470///800847","Present",NA,NA
+"2065","Dabrafenib",NA,NA,NA,NA,NA,NA,NA,"dabrafenib","Dabrafenib",NA,NA,"Dabrafenib",NA,NA,"Dabrafenib",NA,NA,NA,NA,"Dabrafenib","dabrafenib","CC(C)(C)c1nc(c(s1)-c1ccnc(N)n1)-c1cccc(NS(=O)(=O)c2c(F)cccc2F)c1F",NA,44462760,TRUE,"PDBC02065","764134","Present",NA,NA
+"2066","SZ4TA2",NA,NA,NA,NA,NA,NA,NA,"SZ4TA2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,11657048,NA,"PDBC02066",NA,"Present",NA,NA
+"2067","Onalespib",NA,NA,NA,NA,NA,NA,NA,"AT13387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-13387","AT13387",NA,NA,11955716,NA,"PDBC02067","749712///763579","Present",NA,NA
+"2068","BCL-LZH-4",NA,NA,NA,NA,NA,NA,NA,"BCL-LZH-4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02068",NA,"Present",NA,NA
+"2069","Skepinone-L",NA,NA,NA,NA,NA,NA,NA,"skepinone-L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"skepinone-l",NA,NA,45279963,NA,"PDBC02069",NA,"Present",NA,NA
+"2070","PF 4800567 Hydrochloride",NA,NA,NA,NA,NA,NA,NA,"PF-4800567 hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,71751553,NA,"PDBC02070",NA,"Present",NA,NA
+"2071","Avicin D",NA,NA,NA,NA,NA,NA,NA,"avicin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC1O[C@@H](OCC2O[C@@H](O[C@H]3CC[C@@]4(C)C(CC[C@]5(C)C4CC=C4C6CC(C)(C)[C@H](C[C@@]6([C@H](O)C[C@@]54C)C(=O)O[C@@H]4OC(CO)[C@@H](O)[C@@H](O)[C@@H]4O[C@@H]4OC(C)[C@H](O[C@@H]5O[C@@H](CO)[C@H](O)[C@@H]5O)[C@@H](O[C@@H]5OC(CO)[C@@H](O)[C@@H](O)[C@@H]5O)[C@@H]4O)OC(=O)C(\CO)=C\CC[C@](C)(O[C@@H]4OC(C)[C@@H](OC(=O)C(\CO)=C\CCC(C)(O)C=C)[C@@H](O)[C@@H]4O)C=C)C3(C)C)[C@@H](NC(C)=O)[C@H](O)[C@@H]2O)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O",NA,44566777,NA,"PDBC02071",NA,"Present",NA,NA
+"2072","BRD-K33514849",NA,NA,NA,NA,NA,NA,NA,"BRD-K33514849",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)Nc2ccc3OCOc3c2)Oc4cc(C#Cc5ccncc5)ccc4S1(=O)=O",NA,NA,NA,"PDBC02072",NA,"Present",NA,NA
+"2073","BRD-K01737880",NA,NA,NA,NA,NA,NA,NA,"BRD-K01737880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)Cc4ccc5OCOc5c4)[C@@H](C)CN([C@@H](C)CO)C(=O)c3c2)cc1",NA,NA,NA,"PDBC02073",NA,"Present",NA,NA
+"2074","Bafilomycin A1",NA,NA,NA,NA,NA,NA,NA,"bafilomycin A1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,6436223,NA,"PDBC02074",NA,"Present",NA,NA
+"2075","SR8278",NA,NA,NA,NA,NA,NA,NA,"SR8278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,53393127,NA,"PDBC02075",NA,"Present",NA,NA
+"2076","GSK-J4",NA,NA,NA,NA,NA,NA,NA,"GSK-J4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-J4",NA,NA,71729975,NA,"PDBC02076",NA,"Present",NA,NA
+"2077","BRD9876:MK-1775 (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,"BRD9876:MK-1775 (4:1 mol/mol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02077",NA,"Present",NA,NA
+"2078","BRD-K30748066",NA,NA,NA,NA,NA,NA,NA,"BRD-K30748066",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02078",NA,"Present",NA,NA
+"2079","bid1870",NA,NA,NA,NA,NA,NA,NA,NA,"bid1870",NA,NA,NA,NA,"BI-D1870",NA,NA,NA,NA,NA,"BI-D1870","BI-D1870",NA,NA,NA,NA,"PDBC02079","747342","Present",NA,NA
+"2080","XMD15-27",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XMD15-27",NA,NA,"XMD15-27",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02080",NA,"Present",NA,NA
+"2081","NPK76-II-72-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NPK76-II-72-1",NA,NA,"NPK76-II-72-1",NA,NA,NA,NA,NA,NA,"COc1cc(ccc1Nc1ncc2N(C)C(=O)CC(C)N(C3CCCC3)c2n1)C(=O)NC1CCN(C)CC1",NA,NA,NA,"PDBC02081",NA,"Present",NA,NA
+"2082","YM201636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YM201636",NA,NA,"YM201636",NA,NA,NA,NA,NA,"YM-201636","Nc1ccc(cn1)C(=O)Nc1cccc(c1)-c1nc(N2CCOCC2)c2oc3ncccc3c2n1",NA,9956222,NA,"PDBC02082",NA,"Present",NA,NA
+"2083","Genentech Cpd 10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Genentech Cpd 10",NA,NA,"Genentech Cpd 10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02083",NA,"Present",NA,NA
+"2084","XMD14-99",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XMD14-99",NA,NA,"XMD14-99",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02084",NA,"Present",NA,NA
+"2085","THZ-2-49",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"THZ-2-49",NA,NA,"THZ-2-49",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02085",NA,"Present",NA,NA
+"2086","VX-11e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VX-11e",NA,NA,"VX-11e",NA,NA,NA,NA,NA,NA,NA,NA,11634725,NA,"PDBC02086",NA,"Present",NA,NA
+"2087","TL-1-85",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TL-1-85",NA,NA,"TL-1-85",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02087",NA,"Present",NA,NA
+"2088","MPS-1-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MPS-1-IN-1",NA,NA,"MPS-1-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02088",NA,"Present",NA,NA
+"2089","AR-42",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-42",NA,NA,"AR-42",NA,NA,NA,NA,NA,"AR-42",NA,NA,6918848,NA,"PDBC02089",NA,"Present",NA,NA
+"2090","BX-912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BX-912",NA,NA,"BX-912",NA,NA,NA,NA,"BX-912","BX-912","Brc1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCc4c[nH]cn4",NA,11754511,NA,"PDBC02090","758485","Present",NA,NA
+"2091","Y-39983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Y-39983",NA,NA,"Y-39983",NA,NA,NA,NA,NA,"Y-39983","C[C@@H](N)c1ccc(cc1)C(=O)Nc1ccnc2[nH]ccc12",NA,9810884,NA,"PDBC02091",NA,"Present",NA,NA
+"2092","NG-25",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NG-25",NA,NA,"NG-25",NA,NA,NA,NA,NA,NA,NA,NA,53340664,NA,"PDBC02092",NA,"Present",NA,NA
+"2093","Enzastaurin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY317615",NA,"Enzastaurin","Enzastaurin",NA,NA,NA,NA,"Enzastaurin",NA,NA,NA,176167,NA,"PDBC02093","767124","Present",NA,NA
+"2094","Tak-715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAK-715",NA,NA,"TAK-715",NA,NA,NA,NA,NA,"TAK-715","CCc1nc(c(s1)-c1ccnc(NC(=O)c2ccccc2)c1)-c1cccc(C)c1",NA,9952773,NA,"PDBC02094",NA,"Present",NA,NA
+"2095","Zibotentan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zibotentan",NA,"Zibotentan","Zibotentan",NA,NA,NA,NA,NA,NA,"COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(cc1)-c1nnco1",NA,9910224,NA,"PDBC02095",NA,"Present",NA,NA
+"2096","BHG712",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BHG712",NA,NA,"NVP-BHG712",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02096",NA,"Present",NA,NA
+"2097","KIN001-055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KIN001-055",NA,NA,"WHI-P97",NA,NA,NA,NA,NA,NA,"COc1cc2ncnc(Nc3cc(Br)c(O)c(Br)c3)c2cc1OC",NA,NA,NA,"PDBC02097",NA,"Present",NA,NA
+"2098","TL-2-105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TL-2-105",NA,NA,"TL-2-105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02098",NA,"Present",NA,NA
+"2099","JQ12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JQ12",NA,NA,"JQ12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02099",NA,"Present",NA,NA
+"2100","SB52334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB52334",NA,NA,"SB52334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02100",NA,"Present",NA,NA
+"2101","FMK",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FMK",NA,NA,"FMK",NA,NA,NA,NA,NA,NA,NA,NA,644243,NA,"PDBC02101",NA,"Present",NA,NA
+"2102","NSC-207895",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC-207895",NA,NA,"NSC-207895",NA,NA,NA,NA,"wln: t56 bnonj bo fnw i- at6n dntj d1",NA,NA,NA,42640,NA,"PDBC02102","179940///207895","Present",NA,NA
+"2103","Cudc-101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CUDC-101",NA,NA,"CUDC-101",NA,NA,NA,NA,"CUDC-101","CUDC-101",NA,NA,24756910,NA,"PDBC02103","800081","Present",NA,NA
+"2104","Amuvatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MP470",NA,NA,"Amuvatinib",NA,NA,NA,NA,"Amuvatinib",NA,NA,NA,11282283,NA,"PDBC02104","754349","Present",NA,NA
+"2105","AS605240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS605240",NA,NA,"AS605240",NA,NA,NA,NA,NA,NA,"O=C1NC(=O)\C(S1)=C/c1ccc2nccnc2c1",NA,5289247,NA,"PDBC02105",NA,"Present",NA,NA
+"2106","THZ-2-102-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"THZ-2-102-1",NA,NA,"THZ-2-102-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02106",NA,"Present",NA,NA
+"2107","KIN001-244",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KIN001-244",NA,NA,"KIN001-244",NA,NA,NA,NA,NA,NA,"Fc1ccc(Cn2cccc(C(=O)N[C@@H](COc3ccc4[nH]c(=O)[nH]c4c3)c3ccccc3)c2=O)cc1F",NA,NA,NA,"PDBC02107",NA,"Present",NA,NA
+"2108","QL-XI-92",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QL-XI-92",NA,NA,"QL-XI-92",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02108",NA,"Present",NA,NA
+"2109","KIN001-236",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KIN001-236",NA,NA,"KIN001-236",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02109",NA,"Present",NA,NA
+"2110","QL-X-138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QL-X-138",NA,NA,"QL-X-138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02110",NA,"Present",NA,NA
+"2111","AT-7519",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-7519",NA,NA,"AT-7519",NA,"AT7519",NA,NA,"AT-7519","AT-7519","Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1",NA,11338033,NA,"PDBC02111","773394///799338","Present",NA,NA
+"2112","VNLG/124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VNLG/124",NA,NA,"VNLG/124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02112",NA,"Present",NA,NA
+"2113","WZ3105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WZ3105",NA,NA,"WZ3105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02113",NA,"Present",NA,NA
+"2114","STF-62247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STF-62247",NA,NA,"STF-62247",NA,NA,NA,NA,NA,NA,"Cc1cccc(Nc2nc(cs2)c3ccncc3)c1",NA,704473,NA,"PDBC02114",NA,"Present",NA,NA
+"2115","KIN001-260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KIN001-260",NA,NA,"KIN001-260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02115",NA,"Present",NA,NA
+"2116","FR-180204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FR-180204",NA,NA,"FR-180204",NA,NA,NA,NA,NA,NA,"Nc1[nH]nc2nnc(cc12)-c1c(nn2ccccc12)-c1ccccc1",NA,11493598,NA,"PDBC02116",NA,"Present",NA,NA
+"2117","XMD13-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XMD13-2",NA,NA,"XMD13-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02117",NA,"Present",NA,NA
+"2118","Pelitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EKB-569",NA,NA,"Pelitinib",NA,"Pelitinib (EKB-569)",NA,NA,"Pelitinib","pelitinib",NA,NA,6445562,NA,"PDBC02118","800841","Present",NA,NA
+"2119","QL-XII-47",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QL-XII-47",NA,NA,"QL-XII-47",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02119",NA,"Present",NA,NA
+"2120","Alectinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CH5424802",NA,"CH-5424802","Alectinib",NA,NA,NA,NA,"Alectinib","alectinib",NA,NA,49806720,NA,"PDBC02120","799328///764821///764040","Present",NA,NA
+"2121","KIN001-266",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KIN001-266",NA,NA,"KIN001-266",NA,NA,NA,NA,NA,NA,"CCN1CCC(CC1)n1cc(CNc2cc(Cl)c3ncc(C#N)c(Nc4ccc(F)c(Cl)c4)c3c2)nn1",NA,NA,NA,"PDBC02121",NA,"Present",NA,NA
+"2122","KIN001-270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KIN001-270",NA,NA,"KIN001-270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02122",NA,"Present",NA,NA
+"2123","KIN001-102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KIN001-102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02123",NA,"Absent",NA,NA
+"2124","GSK429286A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK429286A",NA,NA,"GSK429286A",NA,NA,NA,NA,NA,"GSK429286A","CC1=C(C(CC(=O)N1)c1ccc(cc1)C(F)(F)F)C(=O)Nc1cc2cn[nH]c2cc1F",NA,11373846,NA,"PDBC02124",NA,"Present",NA,NA
+"2125","HDAC6 Inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAY10603",NA,NA,"CAY10603",NA,NA,NA,NA,NA,NA,NA,NA,24951314,NA,"PDBC02125",NA,"Present",NA,NA
+"2126","JW-7-24-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JW-7-24-1",NA,NA,"JW-7-24-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02126",NA,"Present",NA,NA
+"2127","T0901317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"T0901317",NA,NA,"T0901317",NA,NA,NA,NA,NA,NA,"OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F",NA,447912,NA,"PDBC02127",NA,"Present",NA,NA
+"2128","GW-2580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW-2580",NA,NA,"GW-2580",NA,"GW-2580",NA,NA,"GW632580X",NA,NA,NA,11617559,NA,"PDBC02128","756292","Present",NA,NA
+"2129","HG-6-64-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HG-6-64-1",NA,NA,"HG6-64-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02129",NA,"Present",NA,NA
+"2130","CX-5461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CX-5461",NA,NA,"CX-5461",NA,NA,NA,NA,"CX-5461","CX-5461",NA,NA,25257557,NA,"PDBC02130","782164","Present",NA,NA
+"2131","CP724714",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CP724714",NA,NA,"CP724714",NA,NA,NA,NA,"CP-724714","CP-724714","COCC(=O)NC\C=C\c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1",NA,9874913,NA,"PDBC02131","780042","Present",NA,NA
+"2132","BIX02189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIX02189",NA,NA,"BIX02189",NA,NA,NA,NA,NA,NA,"CN(C)Cc1cccc(N\C(c2ccccc2)=C2/C(=O)Nc3cc(ccc23)C(=O)N(C)C)c1",NA,46931012,NA,"PDBC02132",NA,"Present",NA,NA
+"2133","CP466722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CP466722",NA,NA,"CP466722",NA,NA,NA,NA,NA,NA,"COc1cc2ncnc(-n3nc(nc3N)-c3ccccn3)c2cc1OC",NA,44551660,NA,"PDBC02133",NA,"Present",NA,NA
+"2134","IOX2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IOX2",NA,NA,"IOX2",NA,NA,NA,NA,NA,NA,NA,NA,54685215,NA,"PDBC02134",NA,"Present",NA,NA
+"2135","UNC1215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UNC1215",NA,NA,"UNC1215",NA,NA,NA,NA,NA,NA,NA,NA,57339144,NA,"PDBC02135",NA,"Present",NA,NA
+"2136","(5Z)-7-Oxozeaenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-7-Oxozeaenol",NA,NA,"(5Z)-7-Oxozeaenol",NA,NA,NA,NA,NA,NA,NA,NA,9863776,NA,"PDBC02136",NA,"Present",NA,NA
+"2137","rTRAIL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rTRAIL",NA,NA,"rTRAIL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02137",NA,"Present",NA,NA
+"2138","PFI-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PFI-1",NA,NA,"PFI-1",NA,NA,NA,NA,"PFI-1///2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin...","PFI-1",NA,NA,71271629,NA,"PDBC02138","777448///768123","Present",NA,NA
+"2139","Talazoparib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Talazoparib",NA,NA,"Talazoparib",NA,NA,NA,NA,"BMN-673","talazoparib",NA,NA,135565082,TRUE,"PDBC02139","765396///767125","Present",NA,NA
+"2140","XMD8-92",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XMD8-92",NA,NA,"XMD8-92",NA,NA,NA,NA,NA,NA,"CCOc1cc(ccc1Nc1ncc2N(C)C(=O)c3ccccc3N(C)c2n1)N1CCC(O)CC1",NA,46843772,NA,"PDBC02140",NA,"Present",NA,NA
+"2141","HG-5-113-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HG-5-113-01",NA,NA,"HG-5-113-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02141",NA,"Present",NA,NA
+"2142","XMD11-85h",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XMD11-85h",NA,NA,"XMD11-85h",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02142",NA,"Present",NA,NA
+"2143","Cetuximab",NA,NA,NA,"Cetuximab",NA,NA,NA,NA,NA,NA,NA,"Cetuximab",NA,NA,"Cetuximab",NA,NA,NA,NA,"Cetuximab",NA,NA,NA,85668777,TRUE,"PDBC02143","632307","Present",NA,NA
+"2144","SB 505124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB 505124",NA,NA,"SB505124",NA,NA,NA,NA,NA,"SB-505124",NA,NA,9858940,NA,"PDBC02144",NA,"Present",NA,NA
+"2145","SGC0946",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SGC0946",NA,NA,"SGC0946",NA,NA,NA,NA,NA,NA,NA,NA,56962337,NA,"PDBC02145",NA,"Present",NA,NA
+"2146","QL-XII-61",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QL-XII-61",NA,NA,"QL-XII-61",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02146",NA,"Present",NA,NA
+"2147","Nutlin-3a (-)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nutlin-3a (-)",NA,NA,"Nutlin-3a (-)",NA,NA,NA,NA,"(-)-Nutlin-3",NA,NA,NA,NA,NA,"PDBC02147","756876","Present",NA,NA
+"2148","QL-VIII-58",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QL-VIII-58",NA,NA,"QL-VIII-58",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02148",NA,"Present",NA,NA
+"2149","HG-5-88-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HG-5-88-01",NA,NA,"HG-5-88-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02149",NA,"Present",NA,NA
+"2150","ZG-10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZG-10",NA,NA,"ZG-10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02150",NA,"Present",NA,NA
+"2151","MK-4541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-4541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC12CCC3C(C1CCC2NC(=O)OCC(F)(F)F)CCC4C3(C=CC(=O)N4C)C","OGBFNZPDLOPGEO-OCWMMRLVSA-N",59691338,NA,"PDBC02151",NA,"Absent",NA,NA
+"2152","MK-5108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-5108",NA,NA,NA,NA,NA,NA,NA,NA,"VX-689","MK-5108","C1CC(CCC1OC2=C(C(=CC=C2)Cl)F)(CC3=NC(=CC=C3)NC4=NC=CS4)C(=O)O","LCVIRAZGMYMNNT-UHFFFAOYSA-N",24748204,NA,"PDBC02152","773262","Present",NA,NA
+"2153","MK-8776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-8776",NA,NA,NA,"MK-8776",NA,NA,NA,NA,"SCH-900776",NA,"CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)C4CCCNC4","GMIZZEXBPRLVIV-UHFFFAOYSA-N",16224745,NA,"PDBC02153","764659","Present",NA,NA
+"2154","L-00778123",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-00778,123",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02154",NA,"Absent",NA,NA
+"2155","MRK-003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MRK-003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CC2CC3=C(CC1C24CN(S(=O)(=O)N4)CC(F)(F)F)C=CC(=C3)C=CCN5CCC(CC5)C(F)(F)F","NKHUILHBYOOZDF-UHTCYBPFSA-N",56841621,NA,"PDBC02155",NA,"Absent",NA,NA
+"2156","Ridaforolimus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-8669",NA,NA,NA,NA,NA,NA,NA,NA,"Deforolimius","deforolimus","CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OP(=O)(C)C)C)C)O)OC)C)C)C)OC","BUROJSBIWGDYCN-GAUTUEMISA-N",11520894,NA,"PDBC02156","757440","Present",NA,NA
+"2157","Niraparib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-4827",NA,NA,NA,"Niraparib",NA,NA,NA,NA,"Niraparib","niraparib","C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N","PCHKPVIQAHNQLW-CQSZACIVSA-N",24958200,NA,"PDBC02157","754355","Present",NA,NA
+"2158","Busulfan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Busulfan",NA,NA,NA,NA,NA,NA,"Busulfan","busulfan","CS(=O)(=O)OCCCCOS(=O)(=O)C","COVZYZSDYWQREU-UHFFFAOYSA-N",2478,TRUE,"PDBC02158","750","Present",NA,NA
+"2159","Mechlorethamine HCl (nitrogen mustard)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mechlorethamine HCl (nitrogen mustard)",NA,NA,NA,NA,NA,NA,"Nitrogen mustard","mechlorethamine","CN(CCCl)CCCl.Cl","QZIQJVCYUQZDIR-UHFFFAOYSA-N",5935,NA,"PDBC02159","757087///762","Present",NA,NA
+"2160","Allopurinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allopurinol",NA,NA,NA,NA,NA,NA,"Allopurinol",NA,"C1=C2C(=NC=NC2=O)NN1","OFCNXPDARWKPPY-UHFFFAOYSA-N",2094,TRUE,"PDBC02160","1390","Present",NA,NA
+"2161","Dactinomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dactinomycin","Dactinomycin","Dactinomycin",NA,NA,NA,"Dactinomycin",NA,NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C","RJURFGZVJUQBHK-IIXSONLDSA-N",457193,TRUE,"PDBC02161",NA,"Present",NA,NA
+"2162","Thiotepa",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiotepa",NA,NA,NA,NA,NA,NA,"Thiotepa",NA,"C1CN1P(=S)(N2CC2)N3CC3","FOCVUCIESVLUNU-UHFFFAOYSA-N",5453,TRUE,"PDBC02162","6396","Present",NA,NA
+"2163","Melphalan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melphalan",NA,NA,NA,NA,NA,NA,"Melphalan","melphalan","C1=CC(=CC=C1CC(C(=O)O)N)N(CCCl)CCCl","SGDBTWWWUNNDEQ-LBPRGKRZSA-N",460612,TRUE,"PDBC02163","757098///8806","Present",NA,NA
+"2164","Triethylenemelamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethylenemelamine",NA,NA,NA,NA,NA,"Triethylenemelamine","Triethylenemelamine",NA,"C1CN1C2=NC(=NC(=N2)N3CC3)N4CC4","IUCJMVBFZDHPDX-UHFFFAOYSA-N",5799,NA,"PDBC02164","9706","Present",NA,NA
+"2165","Aminolevulinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminolevulinic Acid",NA,NA,NA,NA,NA,NA,"Aminolevulinic acid",NA,"C(CC(=O)O)C(=O)CN","ZGXJTSGNIOSYLO-UHFFFAOYSA-N",137,TRUE,"PDBC02165","18509","Present",NA,NA
+"2166","Mithramycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mithramycin",NA,NA,NA,NA,NA,"Plicamycin","Mithramycin",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","CFCUWKMKBJTWLW-BKHRDMLASA-N",163659,NA,"PDBC02166","105024///143020///526598///24559","Present",NA,NA
+"2167","Pipobroman",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pipobroman",NA,NA,NA,NA,NA,NA,"Pipobroman",NA,"C1CN(CCN1C(=O)CCBr)C(=O)CCBr","NJBFOOCLYDNZJN-UHFFFAOYSA-N",4842,TRUE,"PDBC02167","25154","Present",NA,NA
+"2168","Floxuridine",NA,NA,NA,"5-FdUR",NA,NA,NA,NA,NA,NA,NA,NA,"Floxuridine",NA,NA,NA,NA,NA,NA,"Floxuridine","floxuridine","C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O","ODKNJVUHOIMIIZ-RRKCRQDMSA-N",5790,TRUE,"PDBC02168","758230///27640","Present",NA,NA
+"2169","Hydroxyurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxyurea",NA,NA,NA,NA,NA,NA,"Hydroxyurea","hydroxyurea","C(=O)(N)NO","VSNHCAURESNICA-UHFFFAOYSA-N",3657,TRUE,"PDBC02169","32065","Present",NA,NA
+"2170","Uracil mustard",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uracil mustard",NA,NA,NA,NA,NA,NA,"Uracil mustard",NA,"C1=C(C(=O)NC(=O)N1)N(CCCl)CCCl","IDPUKCWIGUEADI-UHFFFAOYSA-N",6194,TRUE,"PDBC02170","34462","Present",NA,NA
+"2171","Mitotane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mitotane",NA,NA,NA,NA,NA,NA,"Mitotane",NA,"C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)C(Cl)Cl)Cl","JWBOIMRXGHLCPP-UHFFFAOYSA-N",4211,TRUE,"PDBC02171","38721","Present",NA,NA
+"2172","Trisenox",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arsenic Trioxide",NA,NA,NA,NA,NA,NA,NA,NA,"O=[As]O[As]=O","IKWTVSLWAPBBKU-UHFFFAOYSA-N",261004,TRUE,"PDBC02172",NA,"Absent",NA,NA
+"2173","Cladribine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cladribine",NA,NA,NA,NA,"cladribine",NA,"Cladribine","cladribine","C1C(C(OC1N2C=NC3=C2N=C(N=C3N)Cl)CO)O","PTOAARAWEBMLNO-KVQBGUIXSA-N",20279,TRUE,"PDBC02173","105014","Present",NA,NA
+"2174","2-fluoroAraA (fludarabine)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-fluoroAraA (fludarabine)",NA,"Fludarabine",NA,NA,"Fludarabine",NA,NA,"fludarabine","C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2N)F","HBUBKKRHXORPQB-FJFJXFQQSA-N",657237,NA,"PDBC02174",NA,"Present","fludarabine",NA
+"2175","Dexrazoxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dexrazoxane",NA,NA,NA,NA,NA,NA,"Dexrazoxane","dexrazoxane","CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","BMKDZUISNHGIBY-ZETCQYMHSA-N",71384,TRUE,"PDBC02175","169780","Present",NA,NA
+"2176","Pentostatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentostatin",NA,NA,NA,NA,NA,NA,"PENTOSTATIN","pentostatin","C1C(C(OC1N2C=NC3=C2NC=NCC3O)CO)O","FPVKHBSQESCIEP-JQCXWYLXSA-N",439693,TRUE,"PDBC02176","218321","Present",NA,NA
+"2177","Valrubicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Valrubicin",NA,NA,NA,NA,NA,NA,"Valrubicin","valrubicin","CCCCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O","ZOCKGBMQLCSHFP-KQRAQHLDSA-N",454216,TRUE,"PDBC02177","246131","Present",NA,NA
+"2178","Amifostine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amifostine",NA,NA,NA,NA,NA,NA,"Amifostine",NA,"C(CN)CNCCSP(=O)(O)O","JKOQGQFVAUAYPM-UHFFFAOYSA-N",2141,TRUE,"PDBC02178","296961","Present",NA,NA
+"2179","Imiquimod",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imiquimod",NA,NA,NA,NA,NA,NA,"Imiquimod","imiquimod","CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2N","DOUYETYNHWVLEO-UHFFFAOYSA-N",57469,TRUE,"PDBC02179","369100","Present",NA,NA
+"2180","Estramustine phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Estramustine phosphate",NA,NA,NA,NA,NA,NA,"NSC702294///NSC89201","estramustine-phosphate///estramustine","CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)OC(=O)N(CCCl)CCCl","ADFOJJHRTBFFOF-RBRWEJTLSA-N",259329,TRUE,"PDBC02180","702294///89201","Present",NA,NA
+"2181","Eribulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eribulin",NA,NA,NA,NA,NA,NA,NA,NA,"CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O","UFNVPOGXISZXJD-JBQZKEIOSA-N",11354606,TRUE,"PDBC02181",NA,"Absent",NA,NA
+"2182","Capecitabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Capecitabine",NA,NA,NA,NA,NA,NA,"Capecitabine","capecitabine","CCCCCOC(=O)NC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O","GAGWJHPBXLXJQN-UORFTKCHSA-N",60953,TRUE,"PDBC02182","712807","Present",NA,NA
+"2183","Anastrozole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anastrozole",NA,NA,NA,NA,NA,NA,"Anastrozole","anastrozole","CC(C)(C#N)C1=CC(=CC(=C1)CN2C=NC=N2)C(C)(C)C#N","YBBLVLTVTVSKRW-UHFFFAOYSA-N",2187,TRUE,"PDBC02183","719344","Present",NA,NA
+"2184","Zolendronic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zolendronic Acid",NA,"Zoledronate",NA,NA,NA,NA,"Zoledronate",NA,"C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O","XRASPMIURGNCCH-UHFFFAOYSA-N",68740,NA,"PDBC02184","721517","Present",NA,NA
+"2185","Romidepsin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Romidepsin",NA,NA,NA,NA,NA,"Romdiepsin","Depsipeptide","romidepsin","CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C","OHRURASPPZQGQM-GCCNXGTGSA-N",5352062,TRUE,"PDBC02185","754143///630176","Present",NA,NA
+"2186","Pralatrexate",NA,NA,NA,NA,NA,"PNU-74654",NA,NA,NA,NA,NA,NA,"Pralatrexate","PNU 74654",NA,NA,NA,NA,NA,"pralatrexate///Pralatrexate","pralatrexate","C#CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","OGSBUKJUDHAQEA-WMCAAGNKSA-N",148121,TRUE,"PDBC02186","754230///755984","Present",NA,NA
+"2187","Cabazitaxel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cabazitaxel",NA,NA,NA,NA,NA,"Cabazitaxel  ","Cabazitaxel","cabazitaxel","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC","BMQGVNUXMIRLCK-OAGWZNDDSA-N",9854073,TRUE,"PDBC02187","761432","Present",NA,NA
+"2188","CIP 13-74",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CIP 13-74",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02188",NA,"Absent",NA,NA
+"2189","BX 513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BX 513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02189",NA,"Absent",NA,NA
+"2190","BRD-7389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-7389",NA,NA,NA,NA,NA,NA,NA,"C1=CC=C(C=C1)CCNC2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)NC2=O","XASCINRGTHLHGM-UHFFFAOYSA-N",1080352,NA,"PDBC02190",NA,"Absent",NA,NA
+"2191","Sapitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-8931","Sapatinib///Sapitinib///AZD8931",NA,NA,NA,NA,"Sapitinib","AZD8931","CNC(=O)CN1CCC(CC1)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC","DFJSJLGUIXFDJP-UHFFFAOYSA-N",11488320,NA,"PDBC02191","800876///758005","Present",NA,NA
+"2192","JK-184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JK-184",NA,NA,NA,NA,NA,NA,"JK-184","CCCCCCC1=C(SC2=C1SC(=C2CCCCCC)C3=C4C(=C(S3)C5=CC=C(C=C5)N(C6=CC7=C(C=C6)C8=C(C7(C)C)C=C(C=C8)OCCCCCC)C9=CC1=C(C=C9)C2=C(C1(C)C)C=C(C=C2)OCCCCCC)OCCO4)C=C(C#N)C(=O)O","NFNSIXSJBWNFOO-KZMWYPEZSA-N",102041119,NA,"PDBC02192",NA,"Present",NA,NA
+"2193","Hydroxychloroquine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxychloroquine sulfate",NA,NA,NA,NA,NA,"Hydroxychloroquine Sulfate",NA,"CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO.OS(=O)(=O)O","JCBIVZZPXRZKTI-UHFFFAOYSA-N",12947,TRUE,"PDBC02193","4375","Present",NA,NA
+"2194","MK2a Inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CMPD-1",NA,NA,NA,NA,NA,NA,"CMPD-1","C1=CC=C(C(=C1)C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)O)F","ODYAQBDIXCVKAE-UHFFFAOYSA-N",11382492,NA,"PDBC02194",NA,"Present",NA,NA
+"2195","Nelfinavir",NA,NA,NA,"Nelfinavir",NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nelfinavir",NA,NA,NA,NA,"NELFINAVIR MESYLATE","Nelfinavir",NA,"CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(CN3CC4CCCCC4CC3C(=O)NC(C)(C)C)O","QAGYKUNXZHXKMR-HKWSIXNMSA-N",64143,TRUE,"PDBC02195","747167///722664","Present",NA,NA
+"2196","Syk Inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Syk Inhibitor",NA,NA,NA,NA,NA,NA,NA,"CN1C=C(C2=CC=CC=C21)C=C3C4=C(C=CC(=C4)S(=O)(=O)N)NC3=O","MLKHXLFEYOOYEY-NVNXTCNLSA-N",6419747,NA,"PDBC02196",NA,"Absent",NA,NA
+"2197","Stattic",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stattic",NA,NA,NA,NA,NA,NA,"stattic","C1=CC(=CC2=C1C=CS2(=O)=O)[N+](=O)[O-]","ZRRGOUHITGRLBA-UHFFFAOYSA-N",2779853,NA,"PDBC02197",NA,"Present",NA,NA
+"2198","Ritonavir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ritonavir",NA,NA,NA,NA,NA,"norvir",NA,"CC(C)C1=NC(=CS1)CN(C)C(=O)NC(C(C)C)C(=O)NC(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O","NCDNCNXCDXHOMX-XGKFQTDJSA-N",392622,TRUE,"PDBC02198","693184","Present",NA,NA
+"2199","Bay-11-7082",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bay-11-7082",NA,NA,NA,NA,NA,NA,"BAY-11-7082","CC1=CC=C(C=C1)S(=O)(=O)C=CC#N","DOEWDSDBFRHVAP-KRXBUXKQSA-N",5353431,NA,"PDBC02199",NA,"Present",NA,NA
+"2200","Atorvastatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Atorvastatin",NA,NA,NA,NA,"Atorvastatin",NA,"atorvastatin","CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4","XUKUURHRXDUEBC-KAYWLYCHSA-N",60823,TRUE,"PDBC02200",NA,"Present",NA,NA
+"2201","5-nonyloxytryptamine oxalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-nonyloxytryptamine oxalate",NA,NA,NA,NA,"5-Nonyloxytryptamine oxalate",NA,NA,"CCCCCCCCCOC1=CC2=C(C=C1)NC=C2CCN.C(=O)(C(=O)O)O","JORSCLBFSAAOFR-UHFFFAOYSA-N",10126593,NA,"PDBC02201",NA,"Absent",NA,NA
+"2202","Carfilzomib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carfilzomib",NA,NA,NA,NA,"carfilzomib","Carfilzomib","carfilzomib","CC(C)CC(C(=O)C1(CO1)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC(C)C)NC(=O)C(CCC3=CC=CC=C3)NC(=O)CN4CCOCC4","BLMPQMFVWMYDKT-NZTKNTHTSA-N",11556711,TRUE,"PDBC02202","758252","Present",NA,NA
+"2203","IMD 0354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IMD 0354","IMD-0354",NA,NA,NA,NA,"IMD-0354","IKK-2-inhibitor-V","C1=CC(=C(C=C1Cl)C(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O","CHILCFMQWMQVAL-UHFFFAOYSA-N",5081913,NA,"PDBC02203","800773","Present","IMD0354",NA
+"2204","I-BET",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"I-BET",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02204",NA,"Absent",NA,NA
+"2205","GGTI-298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GGTI-298",NA,NA,NA,NA,NA,NA,"GGTI-298","CC(C)CC(C(=O)OC)NC(=O)C1=C(C=C(C=C1)NCC(CS)N)C2=CC=CC3=CC=CC=C32","XVWPFYDMUFBHBF-CLOONOSVSA-N",9811606,NA,"PDBC02205",NA,"Present",NA,NA
+"2206","Efavirenz",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Efavirenz",NA,NA,NA,NA,NA,NA,NA,"C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F","XPOQHMRABVBWPR-ZDUSSCGKSA-N",64139,TRUE,"PDBC02206",NA,"Absent",NA,NA
+"2207","ES 936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ES 936",NA,NA,NA,NA,NA,NA,NA,"CC1=C(C2=C(N1C)C(=O)C=C(C2=O)OC)COC3=CC=C(C=C3)[N+](=O)[O-]","IBLWSLZYYZHSRG-UHFFFAOYSA-N",4470790,NA,"PDBC02207",NA,"Absent",NA,NA
+"2208","Dapagliflozin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dapagliflozin",NA,NA,NA,NA,NA,NA,NA,"CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)CO)O)O)O)Cl","JVHXJTBJCFBINQ-ADAARDCZSA-N",9887712,TRUE,"PDBC02208",NA,"Absent",NA,NA
+"2209","PF3644022",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF3644022",NA,NA,NA,NA,NA,NA,NA,"CC1CNC2=C(C(=O)N1)SC3=C2C4=C(C=C3)N=C(C=C4)C5=CN=C(C=C5)C","CMWRPDHVGMHLSZ-GFCCVEGCSA-N",44631903,NA,"PDBC02209",NA,"Absent",NA,NA
+"2210","PF 431396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF 431396",NA,NA,NA,NA,NA,NA,NA,"CN(C1=CC=CC=C1CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C","POJZIZBONPAWIV-UHFFFAOYSA-N",11598628,NA,"PDBC02210",NA,"Absent",NA,NA
+"2211","PF 429242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF 429242",NA,NA,NA,NA,NA,NA,NA,"CCN(CC)CC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2OC)C3CCNC3","XKPJTOHUPQWSOJ-UHFFFAOYSA-N",44433028,NA,"PDBC02211",NA,"Absent",NA,NA
+"2212","NH125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NH125",NA,NA,NA,NA,NA,"NH125","NH125","CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[I-]","RVWOHCBHAGBLLT-UHFFFAOYSA-M",10436839,NA,"PDBC02212","717205","Present",NA,NA
+"2213","Nodinitib-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ML 130",NA,NA,NA,NA,NA,NA,NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3N=C2N","SRFABRWQVPCPRG-UHFFFAOYSA-N",1088438,NA,"PDBC02213",NA,"Absent",NA,NA
+"2214","KP372-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KP372-1",NA,NA,NA,NA,NA,NA,NA,"O=C(C1=C2C=CC=C1)C(C2=N3)=NN4C3=NN=N4.O=C5C6=NC7=NN=NN7N=C6C8=C5C=CC=C8","CWFOAASSUQIXOW-UHFFFAOYSA-N",NA,NA,"PDBC02214",NA,"Absent",NA,NA
+"2215","Triapine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triapine",NA,NA,NA,NA,NA,"Triapine","triapine","C1=CC(=C(N=C1)C=NNC(=S)N)N","XMYKNCNAZKMVQN-NYYWCZLTSA-N",9571836,NA,"PDBC02215","759096///663249","Present",NA,NA
+"2216","SB 218078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB 218078",NA,NA,NA,NA,NA,NA,"SB-218078","C1CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C1O2)C7=C53)C(=O)NC6=O","OTPNDVKVEAIXTI-UHFFFAOYSA-N",3387354,NA,"PDBC02216",NA,"Present",NA,NA
+"2217","Bromopyruvic acid",NA,NA,NA,"Bromopyruvate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02217",NA,"Present",NA,NA
+"2218","Methyl Glyoxol",NA,NA,NA,"Methyl Glyoxol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02218",NA,"Present",NA,NA
+"2219","Z-LL-Nva-CHO",NA,NA,NA,"MG-115///Z-Leu-Leu-Norvalinal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02219",NA,"Present",NA,NA
+"2220","TPT",NA,NA,NA,"TPT(FD)///TPT",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02220",NA,"Present",NA,NA
+"2221","Trastuzumab",NA,NA,NA,"Herceptin///trastuzumab",NA,NA,NA,NA,NA,"herceptin",NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trastuzumab",NA,NA,NA,NA,TRUE,"PDBC02221","688097","Present",NA,NA
+"2222","UO126",NA,NA,NA,"UO126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02222",NA,"Present",NA,NA
+"2223","PS-1145",NA,NA,NA,"PS-1145",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02223",NA,"Present",NA,NA
+"2224","Tyrphostin AG 1024",NA,NA,NA,"AG1024",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02224",NA,"Present",NA,NA
+"2225","GW5074",NA,NA,NA,"GW5074",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW-5074",NA,NA,NA,NA,NA,"PDBC02225","755765","Present",NA,NA
+"2226","Ilomastat",NA,NA,NA,"GM6001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GM 6001","ilomastat","CC(C)CC(CC(=O)NO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC","NITYDPDXAAFEIT-DYVFJYSZSA-N",132519,NA,"PDBC02226","727632","Present",NA,NA
+"2227","QNZ",NA,NA,NA,"QNZ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02227",NA,"Present",NA,NA
+"2228","TAPI-0",NA,NA,NA,"TAPI-0///IC-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02228",NA,"Present",NA,NA
+"2229","2C4",NA,NA,NA,"2C4///Pertuzumab",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02229",NA,"Present",NA,NA
+"2230","L779450",NA,NA,NA,"Rafi IV (L779450)///Rafi IV///L779450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02230",NA,"Present",NA,NA
+"2231","Chk2 Inhibitor II",NA,NA,NA,"Chk2 inhibitor II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BML-277",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)N)OC4=CC=C(C=C4)Cl","UXGJAOIJSROTTN-UHFFFAOYSA-N",9969021,NA,"PDBC02231","741899","Present",NA,NA
+"2232","Ro 32-0432",NA,NA,NA,"Ro 32-0432",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02232",NA,"Present",NA,NA
+"2233","TCS JNK 5a",NA,NA,NA,"JNK Inhibitor IX///TCS JNK 5a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW620972X",NA,NA,NA,NA,NA,"PDBC02233","756282","Present",NA,NA
+"2234","PP242 hydrate",NA,NA,NA,"PP242 hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02234",NA,"Present",NA,NA
+"2235","Omacetaxine mepesuccinate",NA,NA,NA,NA,NA,NA,NA,"omacetaxine///omacetaxine mepesuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homoharringtonine","homoharringtonine",NA,NA,NA,TRUE,"PDBC02235","758253///141633","Present",NA,NA
+"2236","mepesuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02236",NA,"Absent",NA,NA
+"2237","UNC0642",NA,NA,NA,NA,NA,NA,NA,NA,NA,"UNC0642",NA,NA,NA,NA,"UNC0642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02237",NA,"Present",NA,NA
+"2238","I-Bet151 (gsk1210151A)",NA,NA,NA,NA,NA,NA,NA,"I-BET151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02238",NA,"Present",NA,NA
+"2239","G02953142",NA,NA,NA,NA,NA,NA,NA,NA,"G02953142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02239",NA,"Absent",NA,NA
+"2240","A-83-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-83-01",NA,NA,NA,NA,NA,NA,"CC1=NC(=CC=C1)C2=NN(C=C2C3=CC=NC4=CC=CC=C34)C(=S)NC5=CC=CC=C5","HIJMSZGHKQPPJS-UHFFFAOYSA-N",16218924,NA,"PDBC02240",NA,"Present",NA,NA
+"2241","ACY-1215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACY-1215",NA,NA,NA,NA,"Rocilinostat","ACY-1215","C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO","QGZYDVAGYRLSKP-UHFFFAOYSA-N",53340666,FALSE,"PDBC02241","767952","Present",NA,NA
+"2242","Afuresertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Afuresertib",NA,NA,NA,NA,"Afuresertib///GSK-2110183","GSK2110183","CN1C(=C(C=N1)Cl)C2=C(SC(=C2)C(=O)NC(CC3=CC(=CC=C3)F)CN)Cl","AFJRDFWMXUECEW-LBPRGKRZSA-N",46843057,FALSE,"PDBC02242","778305///800109","Present",NA,NA
+"2243","AGI-5198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AGI-5198",NA,NA,NA,NA,"IDH-C35",NA,"CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CN4C=CN=C4C","FNYGWXSATBUBER-UHFFFAOYSA-N",56645356,FALSE,"PDBC02243","773096","Present",NA,NA
+"2244","AGI-6780",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AGI-6780",NA,NA,NA,NA,"AGI-6780",NA,"C1CC1NS(=O)(=O)C2=CC(=C(C=C2)C3=CSC=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F","CCAWRGNYALGPQH-UHFFFAOYSA-N",71299339,FALSE,"PDBC02244","781409","Present",NA,NA
+"2245","AMG-319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-319",NA,NA,NA,NA,"AMG-319",NA,"CC(C1=C(N=C2C=C(C=CC2=C1)F)C3=CC=CC=N3)NC4=NC=NC5=C4NC=N5","KWRYMZHCQIOOEB-LBPRGKRZSA-N",68947304,FALSE,"PDBC02245","787137","Present",NA,NA
+"2246","Ara-G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ara-G",NA,NA,NA,NA,"Ara-G",NA,"C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N","NYHBQMYGNKIUIF-FJFJXFQQSA-N",135499520,TRUE,"PDBC02246","76352","Present",NA,NA
+"2247","ARRY-520",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARRY-520",NA,NA,NA,NA,NA,"filanesib","CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC","LLXISKGBWFTGEI-FQEVSTJZSA-N",44224257,FALSE,"PDBC02247",NA,"Present",NA,NA
+"2248","AST-1306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AST-1306",NA,NA,NA,NA,NA,"AST-1306","C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","MVZGYPSXNDCANY-UHFFFAOYSA-N",24739943,FALSE,"PDBC02248",NA,"Present",NA,NA
+"2249","AT13148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT13148",NA,NA,NA,NA,"AT-13148",NA,"C1=CC(=CC=C1C2=CNN=C2)C(CN)(C3=CC=C(C=C3)Cl)O","IIRWNGPLJQXWFJ-KRWDZBQOSA-N",24905401,FALSE,"PDBC02249","799337///771650","Present",NA,NA
+"2250","AZ6102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZ6102",NA,NA,NA,NA,NA,NA,"CC1CN(CC(N1)C)C2=NC=C(C(=C2)C)C3=CC=C(C=C3)C4=NC5=C(C=CN5C)C(=O)N4","WCPTUQOMNJBIET-CALCHBBNSA-N",135905416,FALSE,"PDBC02250",NA,"Present",NA,NA
+"2251","AZ960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZ960",NA,NA,NA,NA,NA,"AZ960","CC1=CC(=NN1)NC2=C(C=C(C(=N2)NC(C)C3=CC=C(C=C3)F)C#N)F","SUNXHXDJOIXABJ-NSHDSACASA-N",25099184,FALSE,"PDBC02251",NA,"Present",NA,NA
+"2252","AZD3759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD3759",NA,NA,NA,NA,"AZD-3759",NA,"CC1CN(CCN1C(=O)OC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=CC=C4)Cl)F)OC)C","MXDSJQHFFDGFDK-CYBMUJFWSA-N",78209992,FALSE,"PDBC02252","788121","Present",NA,NA
+"2253","AZD5582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD5582",NA,NA,NA,NA,"azd5582",NA,"CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3C(CC4=CC=CC=C34)OCC#CC#CCOC5CC6=CC=CC=C6C5NC(=O)C7CCCN7C(=O)C(C8CCCCC8)NC(=O)C(C)NC)NC","WLMCRYCCYXHPQF-ZVMUOSSASA-N",49847690,FALSE,"PDBC02253","787048","Present",NA,NA
+"2254","AZD6738",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD6738",NA,NA,NA,NA,"AZD-6738",NA,"CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4","OHUHVTCQTUDPIJ-JYCIKRDWSA-N",54761306,FALSE,"PDBC02254","800979///777638///780249","Present",NA,NA
+"2255","AZD8186",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD8186",NA,NA,NA,NA,"AZD-8186",NA,"CC(C1=CC(=CC2=C1OC(=CC2=O)N3CCOCC3)C(=O)N(C)C)NC4=CC(=CC(=C4)F)F","LMJFJIDLEAWOQJ-CQSZACIVSA-N",52913813,FALSE,"PDBC02255","777572","Present",NA,NA
+"2256","BAM7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAM7",NA,NA,NA,NA,"BAM7","BAM7","CCOC1=CC=CC=C1N=NC2=C(NN(C2=O)C3=NC(=CS3)C4=CC=CC=C4)C","WRLVHADVOGFZOZ-UHFFFAOYSA-N",3101542,FALSE,"PDBC02256","768536","Present",NA,NA
+"2257","BDP-00009066",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BDP-00009066",NA,NA,NA,NA,NA,NA,NA,NA,NA,FALSE,"PDBC02257",NA,"Present",NA,NA
+"2258","BPD-00008900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BPD-00008900",NA,NA,NA,NA,NA,NA,NA,NA,NA,FALSE,"PDBC02258",NA,"Present",NA,NA
+"2259","Buparlisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Buparlisib",NA,NA,"BKM120",NA,"Buparlisib","buparlisib","C1COCCN1C2=NC(=NC(=C2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4","CWHUFRVAEUJCEF-UHFFFAOYSA-N",16654980,FALSE,"PDBC02259","754353///799370","Present",NA,NA
+"2260","CAP-232, TT-232, TLN-232",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAP-232, TT-232, TLN-232",NA,NA,NA,NA,NA,NA,"CC(C(C(=O)N)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)O","SNAJPQVDGYDQSW-DYCFWDQMSA-N",6918265,FALSE,"PDBC02260",NA,"Present",NA,NA
+"2261","CAY10566",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAY10566",NA,NA,NA,NA,NA,NA,"CC1=NN=C(O1)C2=NN=C(C=C2)N3CCC(CC3)OC4=C(C=CC(=C4)F)Cl","WFOFPVXMPTVOTJ-UHFFFAOYSA-N",16732433,FALSE,"PDBC02261",NA,"Present",NA,NA
+"2262","CD532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CD532",NA,NA,NA,NA,NA,NA,"C1CCC(C1)C2=CC(=NN2)NC3=NC(=NC=C3)NC4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F","GBMIFBVLJSCVJT-UHFFFAOYSA-N",77232197,FALSE,"PDBC02262",NA,"Present",NA,NA
+"2263","CPI-613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CPI-613",NA,NA,NA,NA,"BBOA",NA,"C1=CC=C(C=C1)CSCCC(CCCCC(=O)O)SCC2=CC=CC=C2","ZYRLHJIMTROTBO-UHFFFAOYSA-N",24770514,FALSE,"PDBC02263","766888","Present",NA,NA
+"2264","CZC24832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CZC24832",NA,NA,NA,NA,NA,NA,"CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F","RXRZPHQBTHQXSV-UHFFFAOYSA-N",42623951,FALSE,"PDBC02264",NA,"Present",NA,NA
+"2265","A-484954",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eEF2K Inhibitor, A-484954",NA,NA,NA,NA,NA,NA,"CCN1C(=O)C2=CC(=C(N=C2N(C1=O)C3CC3)N)C(=O)N","HWODCHXORCTEGU-UHFFFAOYSA-N",14998470,FALSE,"PDBC02265",NA,"Present",NA,NA
+"2266","Elephantin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elephantin",NA,NA,NA,NA,"Elephantin",NA,"CC(=CC(=O)OC1CC2=CC(CC3(C(O3)C4C1C(=C)C(=O)O4)C)OC2=O)C","HSTUUCOYVIWGLJ-DXUAHVLSSA-N",442205,FALSE,"PDBC02266","102817","Present",NA,NA
+"2267","Entospletinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Entospletinib",NA,"Entospletinib (GS-9973)",NA,NA,"entosplenitib","GS-9973","C1COCCN1C2=CC=C(C=C2)NC3=NC(=CN4C3=NC=C4)C5=CC6=C(C=C5)C=NN6","XSMSNFMDVXXHGJ-UHFFFAOYSA-N",59473233,FALSE,"PDBC02267","781516","Present",NA,NA
+"2268","EPZ004777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EPZ004777",NA,NA,NA,NA,"EPZ-004777",NA,"CC(C)N(CCCNC(=O)NC1=CC=C(C=C1)C(C)(C)C)CC2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)O","WXRGFPHDRFQODR-ICLZECGLSA-N",56962336,FALSE,"PDBC02268","780043","Present",NA,NA
+"2269","EPZ5676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EPZ5676",NA,NA,"EPZ-5676",NA,"EPZ-5676","EPZ-5676","CC(C)N(CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(C)(C)C","LXFOLMYKSYSZQS-XKHGBIBOSA-N",57345410,FALSE,"PDBC02269","778365","Present",NA,NA
+"2270","ETP-45835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ETP-45835",NA,NA,NA,NA,NA,NA,"C1CNCCC1C2=CC(=NN2)C3=CC=NC=C3.Cl.Cl","ASYCTHXAPLLLSZ-UHFFFAOYSA-N",71755761,FALSE,"PDBC02270",NA,"Present",NA,NA
+"2271","GDC0810",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GDC0810",NA,NA,NA,NA,"GDC-0810",NA,"CCC(=C(C1=CC=C(C=C1)C=CC(=O)O)C2=CC3=C(C=C2)NN=C3)C4=C(C=C(C=C4)F)Cl","BURHGPHDEVGCEZ-KJGLQBJMSA-N",56941241,FALSE,"PDBC02271","787326","Present",NA,NA
+"2272","GNE-317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNE-317",NA,NA,NA,NA,NA,NA,"CC1=C(SC2=C1N=C(N=C2N3CCOCC3)C4=CN=C(N=C4)N)C5(COC5)OC","XOZLHJMDLKDZAL-UHFFFAOYSA-N",70676303,FALSE,"PDBC02272",NA,"Present",NA,NA
+"2273","GSK2578215A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK2578215A",NA,NA,NA,NA,NA,NA,"C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC(=NC=C3)F)C(=O)NC4=CN=CC=C4","WCIGMFCFPXZRMQ-UHFFFAOYSA-N",68107965,FALSE,"PDBC02273",NA,"Present",NA,NA
+"2274","GSK2606414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK2606414",NA,NA,NA,NA,"GSK-2606414",NA,"CN1C=C(C2=C(N=CN=C21)N)C3=CC4=C(C=C3)N(CC4)C(=O)CC5=CC(=CC=C5)C(F)(F)F","SIXVRXARNAVBTC-UHFFFAOYSA-N",53469448,FALSE,"PDBC02274","781627","Present",NA,NA
+"2275","GSK343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK343",NA,NA,NA,NA,NA,NA,"CCCC1=C(C(=O)NC(=C1)C)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC(=NC=C4)N5CCN(CC5)C)C(C)C","ULNXAWLQFZMIHX-UHFFFAOYSA-N",71268957,FALSE,"PDBC02275",NA,"Present",NA,NA
+"2276","GSK591",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK591",NA,NA,NA,NA,NA,NA,"C1CC(C1)NC2=NC=CC(=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)O","TWKYXZSXXXKKJU-FQEVSTJZSA-N",117072552,FALSE,"PDBC02276",NA,"Present",NA,NA
+"2277","I-BRD9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"I-BRD9",NA,NA,NA,NA,NA,NA,"CCN1C=C(C2=C(C1=O)C=C(S2)C(=NC3CCS(=O)(=O)CC3)N)C4=CC(=CC=C4)C(F)(F)F","WRUWGLUCNBMGPS-UHFFFAOYSA-N",91668541,FALSE,"PDBC02277",NA,"Present",NA,NA
+"2278","ICL1100013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICL1100013",NA,NA,NA,NA,NA,NA,NA,NA,NA,FALSE,"PDBC02278",NA,"Present",NA,NA
+"2279","Ipatasertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ipatasertib",NA,NA,NA,NA,"GDC-0068///Ipatasertib","GDC-0068","CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)C(CNC(C)C)C4=CC=C(C=C4)Cl)O","GRZXWCHAXNAUHY-NSISKUIASA-N",24788740,FALSE,"PDBC02279","800986///767898","Present",NA,NA
+"2280","JNJ38877605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNJ38877605",NA,"JNJ-38877605",NA,NA,"JNJ-38877605",NA,"CN1C=C(C=N1)C2=NN3C(=NN=C3C(C4=CC5=C(C=C4)N=CC=C5)(F)F)C=C2","JRWCBEOAFGHNNU-UHFFFAOYSA-N",46911863,FALSE,"PDBC02280","759095","Present",NA,NA
+"2281","kb NB 142-70",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kb NB 142-70",NA,NA,NA,NA,NA,NA,"C1CSC2=C(C(=O)N1)SC3=C2C=C(C=C3)O","DHUAGGSHTKPOHU-UHFFFAOYSA-N",45258277,FALSE,"PDBC02281",NA,"Present",NA,NA
+"2282","KIN001-042",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KIN001-042",NA,NA,NA,NA,NA,NA,"C1=CC(=CC(=C1)I)CSC2=NN=C(O2)C3=CC=NC=C3","ZRHRPGSSSVYBRG-UHFFFAOYSA-N",6539732,FALSE,"PDBC02282",NA,"Present",NA,NA
+"2283","Kobe2602",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kobe2602",NA,NA,NA,NA,NA,NA,"C1=CC(=CC=C1NC(=S)NNC2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])F","NNPBSITXCGPXJC-UHFFFAOYSA-N",3827738,FALSE,"PDBC02283",NA,"Present",NA,NA
+"2284","KRAS (G12C) Inhibitor-12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KRAS (G12C) Inhibitor-12",NA,NA,NA,NA,NA,NA,NA,NA,NA,FALSE,"PDBC02284",NA,"Present",NA,NA
+"2285","LCL161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LCL161",NA,NA,NA,NA,"LCL-161","LCL-161","CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C3=NC(=CS3)C(=O)C4=CC=C(C=C4)F)NC","UFPFGVNKHCLJJO-SSKFGXFMSA-N",24737642,FALSE,"PDBC02285","772868","Present",NA,NA
+"2286","LGK974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LGK974",NA,NA,NA,NA,"LGK-974",NA,"CC1=CC(=CN=C1C2=CC(=NC=C2)C)CC(=O)NC3=NC=C(C=C3)C4=NC=CN=C4","XXYGTCZJJLTAGH-UHFFFAOYSA-N",46926973,FALSE,"PDBC02286","777639","Present",NA,NA
+"2287","LIMK1 inhibitor BMS4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LIMK1 inhibitor BMS4",NA,NA,NA,NA,NA,NA,NA,NA,NA,FALSE,"PDBC02287",NA,"Present",NA,NA
+"2288","LJI308",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LJI308",NA,NA,NA,NA,NA,NA,"C1COCCN1C2=CC=C(C=C2)C3=C(C=NC=C3)C4=CC(=C(C(=C4)F)O)F","YUYJEQHNWKQNBT-UHFFFAOYSA-N",118704762,FALSE,"PDBC02288",NA,"Present",NA,NA
+"2289","LY2109761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY2109761",NA,NA,NA,NA,"LY-2109761","LY2109761","C1CC2=C(C(=NN2C1)C3=CC=CC=N3)C4=C5C=CC(=CC5=NC=C4)OCCN6CCOCC6","IHLVSLOZUHKNMQ-UHFFFAOYSA-N",11655119,FALSE,"PDBC02289","765632","Present",NA,NA
+"2290","MetAP2 Inhibitor, A832234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MetAP2 Inhibitor, A832234",NA,NA,NA,NA,NA,NA,"CC(C)(C(=O)[O-])P(=O)(O)OC","NVNJKIYSHBFHQG-UHFFFAOYSA-M",53413272,FALSE,"PDBC02290",NA,"Present",NA,NA
+"2291","MIM1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MIM1",NA,NA,NA,NA,NA,NA,"CC1=CSC(=NC2CCCCC2)N1N=CC3=C(C(=C(C=C3)O)O)O","RGGFUBMUOVFZEF-CQPAABLISA-N",135691163,FALSE,"PDBC02291",NA,"Present",NA,NA
+"2292","Mirin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mirin",NA,NA,NA,NA,NA,NA,"C1=CC(=CC=C1C=C2C(=O)N=C(S2)N)O","YBHQCJILTOVLHD-YVMONPNESA-N",1206243,TRUE,"PDBC02292",NA,"Present",NA,NA
+"2293","ML323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ML323",NA,NA,NA,NA,NA,NA,"CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C","VUIRVWPJNKZOSS-UHFFFAOYSA-N",60167849,FALSE,"PDBC02293",NA,"Present",NA,NA
+"2294","MN-64",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MN-64",NA,NA,NA,NA,NA,NA,"CC(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2","PYTOHIUBXSJKQH-UHFFFAOYSA-N",2802462,FALSE,"PDBC02294",NA,"Present",NA,NA
+"2295","OF-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OF-1",NA,NA,NA,NA,NA,NA,"CC1=C(C=CC(=C1)Br)S(=O)(=O)NC2=CC3=C(C=C2OC)N(C(=O)N3C)C","YUNQZQREIHWDQT-UHFFFAOYSA-N",35397514,FALSE,"PDBC02295",NA,"Present",NA,NA
+"2296","Osimertinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Osimertinib",NA,NA,NA,NA,"Osimertinib","osimertinib","CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC","DUYJMQONPNNFPI-UHFFFAOYSA-N",71496458,TRUE,"PDBC02296","779217///800812","Present",NA,NA
+"2297","OTX015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OTX015",NA,NA,"OTX015",NA,"OTX-015","OTX015","CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)O)C5=CC=C(C=C5)Cl)C","GNMUEVRJHCWKTO-FQEVSTJZSA-N",9936746,FALSE,"PDBC02297","778747","Present",NA,NA
+"2298","P22077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P22077",NA,NA,NA,NA,NA,"P22077","CC(=O)C1=CC(=C(S1)SC2=C(C=C(C=C2)F)F)[N+](=O)[O-]","RMAMGGNACJHXHO-UHFFFAOYSA-N",46931953,FALSE,"PDBC02298",NA,"Present",NA,NA
+"2299","PCI-34051",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PCI-34051",NA,NA,NA,NA,NA,NA,"COC1=CC=C(C=C1)CN2C=CC3=C2C=C(C=C3)C(=O)NO","AJRGHIGYPXNABY-UHFFFAOYSA-N",24753719,FALSE,"PDBC02299",NA,"Present",NA,NA
+"2300","PF-00299804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-00299804",NA,NA,NA,NA,"Dacomitinib","dacomitinib","COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4","LVXJQMNHJWSHET-AATRIKPKSA-N",11511120,FALSE,"PDBC02300","765888///800084","Present",NA,NA
+"2301","PFI-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PFI-3///PFI3",NA,NA,NA,NA,NA,NA,"C1C2CN(C1CN2C3=CC=CC=N3)C=CC(=O)C4=CC=CC=C4O","INAICWLVUAKEPB-QSTFCLMHSA-N",78243717,FALSE,"PDBC02301",NA,"Present",NA,NA
+"2302","Pilaralisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pilaralisib",NA,NA,NA,NA,"XL-147///Pilaralisib","pilaralisib","CC(C)(C(=O)NC1=CC(=CC=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=C(C=CC(=C4)OC)Cl)N","QINPEPAQOBZPOF-UHFFFAOYSA-N",56599306,FALSE,"PDBC02302","791227///800853","Present",NA,NA
+"2303","PRT062607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PRT062607",NA,"PRT062607",NA,NA,"P505-15","PRT062607","C1CCC(C(C1)N)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)N4N=CC=N4)C(=O)N","TXGKRVFSSHPBAJ-JKSUJKDBSA-N",44462758,FALSE,"PDBC02303","776786","Present",NA,NA
+"2304","Pyridostatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridostatin",NA,NA,NA,NA,NA,NA,"C1=CC=C2C(=C1)C(=CC(=N2)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN)OCCN)OCCN","VGHSATQVJCTKEF-UHFFFAOYSA-N",25227847,FALSE,"PDBC02304",NA,"Present",NA,NA
+"2305","Ribociclib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ribociclib",NA,NA,NA,NA,"LEE-011","ribociclib","CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=NC=C(C=C4)N5CCNCC5","RHXHGRAEPCAFML-UHFFFAOYSA-N",44631912,TRUE,"PDBC02305","778909","Present",NA,NA
+"2306","RU-SKI 43",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RU-SKI 43",NA,NA,NA,NA,NA,NA,"CCC(C)CNCC(=O)N1CCC2=C(C1COC3=CC=CC(=C3)C)C=CS2","AEENEMOEBJOKGN-UHFFFAOYSA-N",46006640,FALSE,"PDBC02306",NA,"Present",NA,NA
+"2307","RVX-208",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RVX-208",NA,NA,NA,NA,NA,NA,"CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2","NETXMUIMUZJUTB-UHFFFAOYSA-N",135564749,FALSE,"PDBC02307",NA,"Present",NA,NA
+"2308","Sabutoclax",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sabutoclax",NA,NA,NA,NA,"Sabutoclax",NA,"CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(=O)NCC(C)C5=CC=CC=C5)O)O)O)O)O)O)C(=O)NCC(C)C6=CC=CC=C6","RAYNZUHYMMLQQA-ZEQRLZLVSA-N",46236925,FALSE,"PDBC02308","787780","Present",NA,NA
+"2309","Savolitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Savolitinib///AZD6094",NA,NA,NA,NA,"Volitinib",NA,"CC(C1=CN2C=CN=C2C=C1)N3C4=NC(=CN=C4N=N3)C5=CN(N=C5)C","XYDNMOZJKOGZLS-NSHDSACASA-N",68289010,FALSE,"PDBC02309","782121","Present",NA,NA
+"2310","SCH772984",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCH772984",NA,NA,NA,NA,"SCH-772984",NA,"C1CN(CC1C(=O)NC2=CC3=C(C=C2)NN=C3C4=CC=NC=C4)CC(=O)N5CCN(CC5)C6=CC=C(C=C6)C7=NC=CC=N7","HDAJDNHIBCDLQF-RUZDIDTESA-N",24866313,FALSE,"PDBC02310","775636","Present",NA,NA
+"2311","Sinularin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sinularin",NA,NA,NA,NA,"Sinularin",NA,"CC1=CCCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O","YKKJETNBRNDYKN-BZLNSZKZSA-N",6438436,FALSE,"PDBC02311","285706","Present",NA,NA
+"2312","Taselisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taselisib",NA,NA,NA,NA,"GDC-0032","taselisib","CC1=NN(C(=N1)C2=CN3CCOC4=C(C3=N2)C=CC(=C4)C5=CN(N=C5)C(C)(C)C(=O)N)C(C)C","BEUQXVWXFDOSAQ-UHFFFAOYSA-N",51001932,FALSE,"PDBC02312","777425///800985","Present",NA,NA
+"2313","Tenovin-6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tenovin-6",NA,NA,NA,"tenovin-6",NA,"tenovin-6","CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCCCN(C)C","BVJSXSQRIUSRCO-UHFFFAOYSA-N",24772043,FALSE,"PDBC02313",NA,"Present",NA,NA
+"2314","Torin 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Torin 2",NA,NA,NA,NA,"Torin2","torin-2","C1=CC(=CC(=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CN=C(C=C5)N)C(F)(F)F","GUXXEUUYCAYESJ-UHFFFAOYSA-N",51358113,FALSE,"PDBC02314","775727","Present",NA,NA
+"2315","TWS119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TWS119",NA,NA,NA,NA,NA,"TWS-119","C1=CC(=CC(=C1)N)C2=CC3=C(N2)N=CN=C3OC4=CC=CC(=C4)O","VPVLEBIVXZSOMQ-UHFFFAOYSA-N",9549289,FALSE,"PDBC02315",NA,"Present",NA,NA
+"2316","Ulixertinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ulixertinib",NA,NA,NA,NA,"ulixertinib///Ulixertinib","BVD-523","CC(C)NC1=NC=C(C(=C1)C2=CNC(=C2)C(=O)NC(CO)C3=CC(=CC=C3)Cl)Cl","KSERXGMCDHOLSS-LJQANCHMSA-N",11719003,FALSE,"PDBC02316","797771///800959","Present",NA,NA
+"2317","UMI-77",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UMI-77",NA,NA,NA,NA,"UMI-77",NA,"C1=CC=C2C(=C1)C(=CC(=C2O)SCC(=O)O)NS(=O)(=O)C3=CC=C(C=C3)Br","WUGANDSUVKXMEC-UHFFFAOYSA-N",992586,FALSE,"PDBC02317","787960","Present",NA,NA
+"2318","VE821",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VE821",NA,NA,NA,NA,"VE-821","VE-821","CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N","DUIHHZKTCSNTGM-UHFFFAOYSA-N",51000408,FALSE,"PDBC02318","761070","Present",NA,NA
+"2319","VE-822",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VE-822",NA,NA,NA,NA,"VE-822","VE-822","CC(C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C3=CC(=NO3)C4=CC=C(C=C4)CNC)N","JZCWLJDSIRUGIN-UHFFFAOYSA-N",59472121,FALSE,"PDBC02319","777718","Present",NA,NA
+"2320","WEHI-539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WEHI-539",NA,NA,NA,NA,NA,NA,"C1CC2=C(C=C(C=C2)C3=NC(=C(S3)CCCOC4=CC=C(C=C4)CN)C(=O)O)C(=NNC5=NC6=CC=CC=C6S5)C1","JKMWZKPAXZBYEH-JWHWKPFMSA-N",71297207,FALSE,"PDBC02320",NA,"Present",NA,NA
+"2321","WIKI4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WIKI4",NA,NA,NA,NA,NA,NA,"COC1=CC=C(C=C1)N2C(=NN=C2SCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)C6=CC=NC=C6","RNUXIZKXJOGYQP-UHFFFAOYSA-N",2984337,FALSE,"PDBC02321",NA,"Present",NA,NA
+"2322","Wnt-C59",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Wnt-C59",NA,NA,NA,NA,NA,NA,"CC1=NC=CC(=C1)C2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C4=CN=CC=C4","KHZOJCQBHJUJFY-UHFFFAOYSA-N",57519544,FALSE,"PDBC02322",NA,"Present",NA,NA
+"2323","WYE-125132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WYE-125132",NA,NA,NA,NA,NA,"WYE-125132","CNC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCC5(CC4)OCCO5)C(=N2)N6CC7CCC(C6)O7","QLHHRYZMBGPBJG-UHFFFAOYSA-N",25260757,FALSE,"PDBC02323",NA,"Present",NA,NA
+"2324","WZ4003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WZ4003",NA,NA,NA,NA,NA,NA,"CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC","SDGJBAUIGHSMRI-UHFFFAOYSA-N",72200024,FALSE,"PDBC02324",NA,"Present",NA,NA
+"2325","G02663201",NA,NA,NA,NA,NA,NA,NA,NA,"G02663201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02325",NA,"Present",NA,NA
+"2326","Capivasertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Capivasertib///AZD5363",NA,NA,NA,NA,"AZD-5363","AZD5363","C1CN(CCC1(C(=O)NC(CCO)C2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4","JDUBGYFRJFOXQC-KRWDZBQOSA-N",25227436,NA,"PDBC02326","799347///764039","Present",NA,NA
+"2327","AZ20",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZ20",NA,NA,NA,NA,NA,"AZ20",NA,NA,46244454,NA,"PDBC02327",NA,"Present",NA,NA
+"2328","AZD3514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD3514",NA,NA,NA,NA,"AZD-3514",NA,NA,NA,46893585,NA,"PDBC02328","765776","Present",NA,NA
+"2329","AZD5438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD5438",NA,NA,NA,NA,"AZD-5438","AZD5438",NA,NA,16747683,NA,"PDBC02329","799348","Present",NA,NA
+"2330","Dyrk1b_0191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dyrk1b_0191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02330",NA,"Present",NA,NA
+"2331","AZD4877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD4877",NA,NA,NA,NA,NA,NA,NA,NA,10368812,NA,"PDBC02331",NA,"Present",NA,NA
+"2332","EphB4_9721",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EphB4_9721",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02332",NA,"Present",NA,NA
+"2333","FEN1_3940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FEN1_3940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02333",NA,"Present",NA,NA
+"2334","FGFR_0939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FGFR_0939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02334",NA,"Present",NA,NA
+"2335","FGFR_3831",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FGFR_3831",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02335",NA,"Present",NA,NA
+"2336","BPTES",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BPTES",NA,NA,NA,NA,"BPTES",NA,NA,NA,NA,NA,"PDBC02336","798303","Present",NA,NA
+"2337","AZD7969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD7969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02337",NA,"Present",NA,NA
+"2338","IAP_5620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IAP_5620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02338",NA,"Present",NA,NA
+"2339","IAP_7638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IAP_7638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02339",NA,"Present",NA,NA
+"2340","IGFR_3801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IGFR_3801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02340",NA,"Present",NA,NA
+"2341","JAK1_3715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JAK1_3715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02341",NA,"Present",NA,NA
+"2342","JAK3_7406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JAK3_7406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02342",NA,"Present",NA,NA
+"2343","MCT1_6447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCT1_6447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02343",NA,"Present",NA,NA
+"2344","MCT4_1422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCT4_1422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02344",NA,"Present",NA,NA
+"2345","AZD2014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD2014",NA,NA,NA,NA,"AZD-2014///3-(2,4-bis((S)-3-methylmorpholino)pyrido[2,3-d]pyrimidin...","AZD2014",NA,NA,25262792,NA,"PDBC02345","767189///799345///780879","Present",NA,NA
+"2346","AZD8835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD8835",NA,NA,NA,NA,"AZD-8835",NA,NA,NA,76685059,NA,"PDBC02346","786099","Present",NA,NA
+"2347","PI3Ka_4409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PI3Ka_4409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02347",NA,"Present",NA,NA
+"2348","AZD1208",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD1208",NA,NA,"AZD1208",NA,"AZD-1208",NA,NA,NA,58423153,NA,"PDBC02348","776066","Present",NA,NA
+"2349","PLK_6522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PLK_6522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02349",NA,"Present",NA,NA
+"2350","RAF_9304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RAF_9304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02350",NA,"Present",NA,NA
+"2351","PARP_9495",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PARP_9495",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02351",NA,"Present",NA,NA
+"2352","PARP_0108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PARP_0108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02352",NA,"Present",NA,NA
+"2353","TANK_1366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TANK_1366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02353",NA,"Present",NA,NA
+"2354","PARP_9482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PARP_9482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02354",NA,"Present",NA,NA
+"2355","AZD1332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD1332",NA,NA,NA,NA,NA,NA,NA,NA,49831044,NA,"PDBC02355",NA,"Present",NA,NA
+"2356","TTK_3146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TTK_3146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02356",NA,"Present",NA,NA
+"2357","AZD5153",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD5153",NA,NA,NA,NA,"AZD-5153",NA,NA,NA,118693659,NA,"PDBC02357","797938","Present",NA,NA
+"2358","CDK9_5576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CDK9_5576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02358",NA,"Present",NA,NA
+"2359","CDK9_5038",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CDK9_5038",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02359",NA,"Present",NA,NA
+"2360","Eg5_9814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eg5_9814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02360",NA,"Present",NA,NA
+"2361","ERK_2440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ERK_2440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02361",NA,"Present",NA,NA
+"2362","ERK_6604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ERK_6604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02362",NA,"Present",NA,NA
+"2363","IRAK4_4710",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IRAK4_4710",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02363",NA,"Present",NA,NA
+"2364","JAK1_8709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JAK1_8709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02364",NA,"Present",NA,NA
+"2365","AZD5991",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD5991",NA,NA,NA,NA,"AZD-5991",NA,NA,NA,131634760,NA,"PDBC02365","807055","Present",NA,NA
+"2366","PAK_5339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PAK_5339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02366",NA,"Present",NA,NA
+"2367","TAF1_5496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAF1_5496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02367",NA,"Present",NA,NA
+"2368","ULK1_4989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ULK1_4989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02368",NA,"Present",NA,NA
+"2369","VSP34_8731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VSP34_8731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02369",NA,"Present",NA,NA
+"2370","IGF1R_3801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IGF1R_3801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02370",NA,"Present",NA,NA
+"2371","JAK_8517",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JAK_8517",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDBC02371",NA,"Present",NA,NA
+"2372","1-Azakenpaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-azakenpaullone","C1C2=C(C3=C(C=CC=N3)NC1=O)NC4=C2C=C(C=C4)Br","NTSBZVCEIVPKBJ-UHFFFAOYSA-N",6538897,NA,"PDBC02372",NA,"Present",NA,NA
+"2373","1-naphthyl-PP1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-naphthyl-PP1","CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=CC4=CC=CC=C43)N","XSHQBIXMLULFEV-UHFFFAOYSA-N",4877,NA,"PDBC02373",NA,"Present",NA,NA
+"2374","10-Deacetylbaccatin III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-deacetylbaccatin","CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","YWLXLRUDGLRYDR-ZHPRIASZSA-N",154272,NA,"PDBC02374",NA,"Present",NA,NA
+"2375","10-Hydroxycamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC107124","10-hydroxycamptothecin","CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O","HAWSQZCWOQZXHI-FQEVSTJZSA-N",97226,NA,"PDBC02375","107124","Present",NA,NA
+"2376","Phorbol 12-myristate 13-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-O-tetradecanoylphorbol-13-acetate","CCCCCCCCCCCCCC(=O)OC1C(C2(C(C=C(CC3(C2C=C(C3=O)C)O)CO)C4C1(C4(C)C)OC(=O)C)O)C","PHEDXBVPIONUQT-RGYGYFBISA-N",27924,NA,"PDBC02376",NA,"Present",NA,NA
+"2377","2'-MeCCPA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-MeCCPA","CC1(C(C(OC1N2C=NC3=C(N=C(N=C32)Cl)NC4CCCC4)CO)O)O","MMPAUXMIDJWGFO-UHFFFAOYSA-N",44292754,NA,"PDBC02377",NA,"Present",NA,NA
+"2378","3-(2,3-Dichlorophenoxy)propyl-(2-hydroxyethyl)azanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-DCPE","C1=CC(=C(C(=C1)Cl)Cl)OCCC[NH2+]CCO","QVEIRCZEBQRCTR-UHFFFAOYSA-O",2250974,NA,"PDBC02378",NA,"Present",NA,NA
+"2379","2-Methoxyestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methoxyestradiol","CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O","CQOQDQWUFQDJMK-SSTWWWIQSA-N",66414,NA,"PDBC02379",NA,"Present",NA,NA
+"2380","3'-fluorobenzylspiperone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-fluorobenzylspiperone","C1CN(CCC12C(=O)N(CN2C3=CC=CC=C3)CC4=CC(=CC=C4)F)CCCC(=O)C5=CC=C(C=C5)F","DXZKTRNEOISOCA-UHFFFAOYSA-N",3248000,NA,"PDBC02380",NA,"Present",NA,NA
+"2381","3-Deazaneplanocin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-deazaneplanocin-A","C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N","OMKHWTRUYNAGFG-IEBDPFPHSA-N",73087,NA,"PDBC02381",NA,"Present",NA,NA
+"2382","4-(4-fluorobenzoyl)-1-(4-phenylbutyl)-piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-fluorobenzoyl)-1-(4-phenylbutyl)-piperidine","C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCCC3=CC=CC=C3","FTJXZACAQRDRNT-UHFFFAOYSA-N",5234410,NA,"PDBC02382",NA,"Present",NA,NA
+"2383","1-(4-Chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chlorophenylguanidine","C1=CC(=CC=C1N=C(N)N)Cl","ZSJNJAJDBNFVCA-UHFFFAOYSA-N",2757788,NA,"PDBC02383",NA,"Present",NA,NA
+"2384","Biochanin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Biochanin","4-methylgenistein","COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O","WUADCCWRTIWANL-UHFFFAOYSA-N",5280373,NA,"PDBC02384","123538","Present",NA,NA
+"2385","4-Methylhistamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methylhistamine","CC1=C(N=CN1)CCN","UGYXPZQILZRKJJ-UHFFFAOYSA-N",37463,NA,"PDBC02385",NA,"Present",NA,NA
+"2386","Pyrimidine-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-pyrimidinecarbonitrile","C1=CN=CN=C1C#N","ZIEWSZYVEDTXGH-UHFFFAOYSA-N",10313094,NA,"PDBC02386",NA,"Present",NA,NA
+"2387","4E1RCat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4E1RCat","C1=CC=C(C=C1)C2=CC(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N2C5=CC=C(C=C5)C(=O)O","BBQRBOIMSKMFFO-PGMHBOJBSA-N",78357788,NA,"PDBC02387",NA,"Present",NA,NA
+"2388","Desfesoterodine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxymethyl-tolterodine","CC(C)N(CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C","DUXZAXCGJSBGDW-HXUWFJFHSA-N",9819382,NA,"PDBC02388",NA,"Present",NA,NA
+"2389","7-Hydroxystaurosporine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638850","7-hydroxystaurosporine","CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC","PBCZSGKMGDDXIJ-HQCWYSJUSA-N",72271,NA,"PDBC02389","638850","Present",NA,NA
+"2390","8-Bromo-cGMP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-bromo-cGMP","C1C2C(C(C(O2)N3C4=C(C(=O)NC(=N4)N)N=C3Br)O)OP(=O)(O1)O","YUFCOOWNNHGGOD-UMMCILCDSA-N",135419186,NA,"PDBC02390",NA,"Present",NA,NA
+"2391","8-Hydroxy-pipat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-hydroxy-PIPAT","CCCN(CC=CI)C1CCC2=C(C1)C(=CC=C2)O","QBXHUZJZYDSLRH-RUDMXATFSA-N",6142670,NA,"PDBC02391",NA,"Present",NA,NA
+"2392","9-Aminoacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminacrine Hydrochloride///AMINACRINE","9-aminoacridine","C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N","XJGFWWJLMVZSIG-UHFFFAOYSA-N",7019,NA,"PDBC02392","7571///757794","Present",NA,NA
+"2393","A-674563",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-674563",NA,NA,NA,"A-674563",NA,NA,11314340,NA,"PDBC02393",NA,"Present",NA,NA
+"2394","A-803467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-803467","COC1=CC(=CC(=C1)NC(=O)C2=CC=C(O2)C3=CC=C(C=C3)Cl)OC","VHKBTPQDHDSBSP-UHFFFAOYSA-N",16038374,NA,"PDBC02394",NA,"Present",NA,NA
+"2395","A61603",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A61603","CS(=O)(=O)NC1=C(C=CC2=C1CCCC2C3=NCCN3)O","OQFCXJDXHCDLHX-UHFFFAOYSA-N",4038180,NA,"PDBC02395",NA,"Present",NA,NA
+"2396","Abt-702",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABT-702","C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N","RQCXKDWOCUJWQZ-UHFFFAOYSA-N",1973,NA,"PDBC02396",NA,"Present",NA,NA
+"2397","AC-264613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC-264613","CC(=NNC(=O)C1C(CNC1=O)C2=CC=CC=C2)C3=CC(=CC=C3)Br","RQKXQCSEZPQBNZ-QSBCOWLBSA-N",25108278,NA,"PDBC02397",NA,"Present",NA,NA
+"2398","Acdpp",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACDPP","CN(C)C1=NC(=C(N=C1Cl)C(=O)NC2=CN=CC=C2)N","RNGRUHWJJPTYNR-UHFFFAOYSA-N",16759169,NA,"PDBC02398",NA,"Present",NA,NA
+"2399","ADL5859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ADL5859","CCN(CC)C(=O)C1=CC=C(C=C1)C2=CC3(CCNCC3)OC4=CC=CC(=C42)O","OPIKUXLJQFYMSC-UHFFFAOYSA-N",11417954,NA,"PDBC02399",NA,"Present",NA,NA
+"2400","AEE788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765949///NSC799325","AEE788","CCN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=C(N3)N=CN=C4NC(C)C5=CC=CC=C5","OONFNUWBHFSNBT-HXUWFJFHSA-N",10297043,NA,"PDBC02400","765949///799325","Present",NA,NA
+"2401","AEG3482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AEG3482","C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)S(=O)(=O)N","MQUYTXDAVCOCMX-UHFFFAOYSA-N",698112,NA,"PDBC02401",NA,"Present",NA,NA
+"2402","AM-251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AM-251","CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I","BUZAJRPLUGXRAB-UHFFFAOYSA-N",2125,NA,"PDBC02402",NA,"Present",NA,NA
+"2403","AM-404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMA404",NA,"AM-404","CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC1=CC=C(C=C1)O","IJBZOOZRAXHERC-DOFZRALJSA-N",6604822,NA,"PDBC02403",NA,"Present",NA,NA
+"2404","AMG-208",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-208","AMG-208","COC1=CC2=NC=CC(=C2C=C1)OCC3=NN=C4N3N=C(C=C4)C5=CC=CC=C5","HEAIZQNMNCHNFD-UHFFFAOYSA-N",24864821,NA,"PDBC02404","766288","Present",NA,NA
+"2405","AMG-232",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-232","AMG-232","CC(C)C(CS(=O)(=O)C(C)C)N1C(C(CC(C1=O)(C)CC(=O)O)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)Cl","DRLCSJFKKILATL-YWCVFVGNSA-N",58573469,NA,"PDBC02405","781515","Present",NA,NA
+"2406","AMG-458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-458","AMG458","CC1=C(C(=O)N(N1CC(C)(C)O)C2=CC=CC=C2)C(=O)NC3=NC=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OC","GLBZSOQDAOLMGC-UHFFFAOYSA-N",24764449,NA,"PDBC02406","754346","Present",NA,NA
+"2407","AMG-900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-900","AMG900","CC1=CSC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N","IVUGFMLRJOCGAS-UHFFFAOYSA-N",24856041,NA,"PDBC02407","761069","Present",NA,NA
+"2408","Rimiducid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AP1903","CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCCNC(=O)COC5=CC=CC(=C5)C(CCC6=CC(=C(C=C6)OC)OC)OC(=O)C7CCCCN7C(=O)C(CC)C8=CC(=C(C(=C8)OC)OC)OC","GQLCLPLEEOUJQC-ZTQDTCGGSA-N",16135625,NA,"PDBC02408",NA,"Present",NA,NA
+"2409","AP26113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ariad Alk/EGFR inhibitor related to AP-26113///AP26113","AP26113","CN(C)C1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl)OC","OVDSPTSBIQCAIN-UHFFFAOYSA-N",57390074,NA,"PDBC02409","776763///800977","Present",NA,NA
+"2410","Varlitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764823///NSC800962","ARRY-334543","CC1COC(=N1)NC2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=NC=CS5)Cl","UWXSAYUXVSFDBQ-CYBMUJFWSA-N",42642648,NA,"PDBC02410","764823///800962","Present",NA,NA
+"2411","AS-1949490",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-1949490","CC(C1=CC=CC=C1)NC(=O)C2=C(C=CS2)OCC3=CC=C(C=C3)Cl","RFZPGNRLOKVZJY-AWEZNQCLSA-N",44473434,NA,"PDBC02411",NA,"Present",NA,NA
+"2412","Pimasertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755763///NSC800854","AS-703026","C1=CC(=C(C=C1I)F)NC2=C(C=CN=C2)C(=O)NCC(CO)O","VIUAUNHCRHHYNE-JTQLQIEISA-N",44187362,NA,"PDBC02412","755763///800854","Present",NA,NA
+"2413","AT-9283",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760144///NSC799339","AT-9283","C1CC1NC(=O)NC2=C(NN=C2)C3=NC4=C(N3)C=C(C=C4)CN5CCOCC5","LOLPPWBBNUVNQZ-UHFFFAOYSA-N",135398495,NA,"PDBC02413","760144///799339","Present",NA,NA
+"2414","AV-412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AV-412","CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C","GTWJVFFZCKODEV-UHFFFAOYSA-N",11700696,NA,"PDBC02414",NA,"Present",NA,NA
+"2415","Spebrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spebrutinib","AVL-292","COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)F","KXBDTLQSDKGAEB-UHFFFAOYSA-N",59174488,NA,"PDBC02415","780020","Present",NA,NA
+"2416","Avn-944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VX-944","AVN-944","CCC(CC#N)OC(=O)NC(C)C1=CC(=CC=C1)NC(=O)NC2=CC(=C(C=C2)C3=CN=CO3)OC","GYCPCOJTCINIFZ-OXJNMPFZSA-N",9918559,NA,"PDBC02416","767601","Present",NA,NA
+"2417","AZD-2461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-2461","AZD2461","COC1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F","HYNBNUYQTQIHJK-UHFFFAOYSA-N",44199317,NA,"PDBC02417","773230","Present",NA,NA
+"2418","AZD-2858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-2858","AZD2858",NA,NA,NA,NA,"PDBC02418","774901","Present",NA,NA
+"2419","AZD-3463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-3463","AZD3463","COC1=C(C=CC(=C1)N2CCC(CC2)N)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl","GCYIGMXOIWJGBU-UHFFFAOYSA-N",56599293,NA,"PDBC02419","776787","Present",NA,NA
+"2420","AZD8330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARRY-704///AZD-8330","AZD8330","CC1=CC(=C(N(C1=O)C)NC2=C(C=C(C=C2)I)F)C(=O)NOCCO","RWEVIPRMPFNTLO-UHFFFAOYSA-N",16666708,NA,"PDBC02420","772563///799353","Present",NA,NA
+"2421","Alvelestat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD9668","CC1=C(C=C(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)C(=O)NCC3=NC=C(C=C3)S(=O)(=O)C)C4=CC=NN4C","QNQZWEGMKJBHEM-UHFFFAOYSA-N",46861623,NA,"PDBC02421",NA,"Present",NA,NA
+"2422","BAN-ORL-24",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAN-ORL-24","C1CC(N(C1)CC2=CC=CC=C2)C(=O)NCCCN3CCC4(CC3)C5=CC=CC=C5CO4","MAKMQGKJURAJEN-RUZDIDTESA-N",10296561,NA,"PDBC02422",NA,"Present",NA,NA
+"2423","Bay 11-7085",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bay 11-7085",NA,NA,NA,"BAY-11-7085",NA,NA,5353432,NA,"PDBC02423",NA,"Present",NA,NA
+"2424","BAY-87-2243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-87-2243","BAY-87-2243","CC1=CC(=NN1CC2=CC(=NC=C2)N3CCN(CC3)C4CC4)C5=NC(=NO5)C6=CC=C(C=C6)OC(F)(F)F","CDJNNOJINJAXPV-UHFFFAOYSA-N",67377767,NA,"PDBC02424","781016","Present",NA,NA
+"2425","BAY-K-8644-(s)-(-)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-K-8644-(s)-(-)","CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC","ZFLWDHHVRRZMEI-ZDUSSCGKSA-N",6603728,NA,"PDBC02425",NA,"Present",NA,NA
+"2426","Pitolisant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BF2.649","C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl","NNACHAUCXXVJSP-UHFFFAOYSA-N",9948102,NA,"PDBC02426",NA,"Present",NA,NA
+"2427","BGT-226 free base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773095///NSC799358","BGT226","CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC(=C(C=C4)N5CCNCC5)C(F)(F)F)C6=CN=C(C=C6)OC","BMMXYEBLEBULND-UHFFFAOYSA-N",11978790,NA,"PDBC02427","773095///799358","Present",NA,NA
+"2428","BI-78D3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BI-78D3","C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SC4=NC=C(S4)[N+](=O)[O-]","QFRLDZGQEZCCJZ-UHFFFAOYSA-N",2747117,NA,"PDBC02428",NA,"Present",NA,NA
+"2429","BIBU-1361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIBU-1361","CCN(CC)CC1CCN(CC1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl","JUGSLZCFNSTKBN-UHFFFAOYSA-N",17756796,NA,"PDBC02429",NA,"Present",NA,NA
+"2430","Falnidamol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIBX-1382","CN1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl","FTFRZXFNZVCRSK-UHFFFAOYSA-N",6918508,NA,"PDBC02430",NA,"Present",NA,NA
+"2431","B-7100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B-7100","BIIB021","CC1=CN=C(C(=C1OC)C)CN2C=NC3=C2N=C(N=C3Cl)N","QULDDKSCVCJTPV-UHFFFAOYSA-N",16736529,NA,"PDBC02431","773265","Present",NA,NA
+"2432","BIX-02188",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIX-02188","CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N)O","WGPXKFOFEXJMBD-UHFFFAOYSA-N",135398492,NA,"PDBC02432",NA,"Present",NA,NA
+"2433","Bms-265246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-265246","CCCCOC1=C(C=NC2=NNC=C12)C(=O)C3=C(C=C(C=C3F)C)F","SCFMWQIQBVZOQR-UHFFFAOYSA-N",135402864,NA,"PDBC02433",NA,"Present",NA,NA
+"2434","BMS-599626",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-599626///AC-480","BMS-599626","CC1=C2C(=NC=NN2C=C1NC(=O)OCC3COCCN3)NC4=CC5=C(C=C4)N(N=C5)CC6=CC(=CC=C6)F","LUJZZYWHBDHDQX-QFIPXVFZSA-N",10437018,NA,"PDBC02434","764135///799323","Present",NA,NA
+"2435","Temsavir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-626529","CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)OC","QRPZBKAMSFHVRW-UHFFFAOYSA-N",11317439,NA,"PDBC02435",NA,"Present",NA,NA
+"2436","BMS-690514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760765///NSC799363","BMS-690514","COC1=CC=CC(=C1)NC2=NC=NN3C2=C(C=C3)CN4CCC(C(C4)O)N","CSGQVNMSRKWUSH-IAGOWNOFSA-N",11349170,NA,"PDBC02436","760765///799363","Present",NA,NA
+"2437","Bms-707035",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-707035","CN1C(=O)C(=C(N=C1N2CCCCS2(=O)=O)C(=O)NCC3=CC=C(C=C3)F)O","VNIWZCGZPBJWBI-UHFFFAOYSA-N",54682040,NA,"PDBC02437",NA,"Present",NA,NA
+"2438","Bms-986020",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-986020","CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5(CC5)C(=O)O","GQBRZBHEPUQRPL-LJQANCHMSA-N",49792850,NA,"PDBC02438",NA,"Present",NA,NA
+"2439","BNC105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BNC105","CC1=C(C2=C(O1)C(=C(C=C2)OC)O)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","RADMJHVVIZTENA-UHFFFAOYSA-N",24786555,NA,"PDBC02439",NA,"Present",NA,NA
+"2440","7-Benzylidenenaltrexone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BNTX","C1CC1CN2CCC34C5C(=O)C(=CC6=CC=CC=C6)CC3(C2CC7=C4C(=C(C=C7)O)O5)O","WXOUFNFMPVMGFZ-BDQAUFNLSA-N",5310988,NA,"PDBC02440",NA,"Present",NA,NA
+"2441","Didesmethylsibutramine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BTS-54505","CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N.Cl","KHRVYINTXCWNRF-UHFFFAOYSA-N",134771,NA,"PDBC02441",NA,"Present",NA,NA
+"2442","BVT-948",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BVT-948","CC1(C2=C(C3=CC=CC=C3C(=O)C2=O)NC1=O)C","LLPBUXODFQZPFH-UHFFFAOYSA-N",6604934,NA,"PDBC02442",NA,"Present",NA,NA
+"2443","Dadle",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BW-180C","CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N","ZHUJMSMQIPIPTF-IBURTVSXSA-N",6917707,NA,"PDBC02443",NA,"Present",NA,NA
+"2444","1-(4-Carboxyphenyl)-3,3-dimethyltriazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CB-10-277","CN(C)N=NC1=CC=C(C=C1)C(=O)O","GUAZPUYTLMUTMA-UHFFFAOYSA-N",23606,NA,"PDBC02444",NA,"Present",NA,NA
+"2445","CCG-50014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCG-50014","CC1=CC=C(C=C1)N2C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F","QUIIIYITNGOFEI-UHFFFAOYSA-N",2733079,NA,"PDBC02445",NA,"Present",NA,NA
+"2446","CID 67042344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCMI","CC1=NOC(=C1)C(=CNC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","VMAKIACTLSBBIY-UHFFFAOYSA-N",67042344,NA,"PDBC02446",NA,"Present",NA,NA
+"2447","CCT-128930",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCT-128930","CCT128930","C1CN(CCC1(CC2=CC=C(C=C2)Cl)N)C3=NC=NC4=C3C=CN4","RZIDZIGAXXNODG-UHFFFAOYSA-N",17751819,NA,"PDBC02447","761387","Present",NA,NA
+"2448","CCT129202",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCT129202","CN(C)C1=CC=C(C=C1)C2=NC3=NC=C(C(=C3N2)N4CCN(CC4)CC(=O)NC5=NC=CS5)Cl","QYKHWEFPFAGNEV-UHFFFAOYSA-N",16202152,NA,"PDBC02448",NA,"Present",NA,NA
+"2449","CCT137690",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCT137690","CC1=CC(=NO1)CN2CCN(CC2)C3=C4C(=NC=C3Br)N=C(N4)C5=CC=C(C=C5)N6CCN(CC6)C","GFLQCBTXTRCREJ-UHFFFAOYSA-N",25154041,NA,"PDBC02449",NA,"Present",NA,NA
+"2450","Agerafenib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776043///NSC800070","CEP-32496","CC(C)(C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F","DKNUPRMJNUQNHR-UHFFFAOYSA-N",56846693,NA,"PDBC02450","776043///800070","Present",NA,NA
+"2451","CEP-33779",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CEP-33779","CN1CCN(CC1)C2=CC=CC(=C2)NC3=NN4C=CC=C(C4=N3)C5=CC=C(C=C5)S(=O)(=O)C","RFZKSQIFOZZIAQ-UHFFFAOYSA-N",57336812,NA,"PDBC02451",NA,"Present",NA,NA
+"2452","Cep-37440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781148///NSC800983","CEP-37440","CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C4=C(CC(CCC4)N5CCN(CC5)CCO)C=C3)OC","BCSHRERPHLTPEE-NRFANRHFSA-N",71721648,NA,"PDBC02452","781148///800983","Present",NA,NA
+"2453","Nvp-cgm097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGM-097","CGM097","CC(C)OC1=C(C=C2CC(=O)N(C(C2=C1)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)N(C)CC5CCC(CC5)N6CCN(C(=O)C6)C)OC","CLRSLRWKONPSRQ-CPOWQTMSSA-N",53240420,NA,"PDBC02453","783015","Present",NA,NA
+"2454","CGP-37849",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGP-37849","CC(=CC(C(=O)O)N)CP(=O)(O)O","BDYHNCZIGYIOGJ-DUXPYHPUSA-N",5950212,NA,"PDBC02454",NA,"Present",NA,NA
+"2455","CGP-54626",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGP-54626","CC(C1=CC(=C(C=C1)Cl)Cl)NCC(CP(=O)(CC2CCCCC2)O)O","JGGVBBYJRQOPPA-BBRMVZONSA-N",197584,NA,"PDBC02455",NA,"Present",NA,NA
+"2456","CGS-15943",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGS-15943","C1=COC(=C1)C2=NN3C(=N2)C4=C(C=CC(=C4)Cl)N=C3N","MSJODEOZODDVGW-UHFFFAOYSA-N",2690,NA,"PDBC02456",NA,"Present",NA,NA
+"2457","Unii-K9Q4R9S81O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGS-20625","COC1=CC=C(C=C1)N2C(=O)C3=CN=C4CCCCCC4=C3N2","UBLXQFIFWUEVGJ-UHFFFAOYSA-N",163844,NA,"PDBC02457",NA,"Present",NA,NA
+"2458","CH5132799",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762382///NSC800984","CH5132799","CS(=O)(=O)N1CCC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N","JEGHXKRHKHPBJD-UHFFFAOYSA-N",49784945,NA,"PDBC02458","762382///800984","Present",NA,NA
+"2459","CHIR-124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHIR-124","C1CN2CCC1C(C2)NC3=C(C(=O)NC4=C3C=C(C=C4)Cl)C5=NC6=CC=CC=C6N5","MOVBBVMDHIRCTG-LJQANCHMSA-N",135399748,NA,"PDBC02459",NA,"Present",NA,NA
+"2460","CHIR-98014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHIR-98014","C1=CC(=C(C=C1Cl)Cl)C2=NC(=NC=C2N3C=CN=C3)NCCNC4=NC(=C(C=C4)[N+](=O)[O-])N","MDZCSIDIPDZWKL-UHFFFAOYSA-N",53396311,NA,"PDBC02460",NA,"Present",NA,NA
+"2461","3-Phenoxypyridine monosulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CI-844","C1=CC=C(C=C1)OC2=CN=CC=C2.OS(=O)(=O)O","SYULDLBUMBEIIY-UHFFFAOYSA-N",6917736,NA,"PDBC02461",NA,"Present",NA,NA
+"2462","(2E)-2-Benzylidene-3-(cyclohexylamino)inden-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CID-5458317","C1CCC(CC1)NC2=C3C=CC=CC3=C(C2=CC4=CC=CC=C4)O","BJJVCNWHNQAAGB-HMMYKYKNSA-N",155903705,NA,"PDBC02462",NA,"Present",NA,NA
+"2463","CL-218872",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CL-218872","CC1=NN=C2N1N=C(C=C2)C3=CC(=CC=C3)C(F)(F)F","GUOQUXNJZHGPQF-UHFFFAOYSA-N",107950,NA,"PDBC02463",NA,"Present",NA,NA
+"2464","CNX-2006",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNX-2006","COC1=C(C=CC(=C1)NC2CN(C2)CCF)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F","BFSRTTWIPACGMI-UHFFFAOYSA-N",56968072,NA,"PDBC02464",NA,"Present",NA,NA
+"2465","CNX-774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNX-774","CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)F","VVLHQJDAUIPZFH-UHFFFAOYSA-N",59174579,NA,"PDBC02465",NA,"Present",NA,NA
+"2466","CP-673451",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CP-673451","COCCOC1=CC2=C(C=C1)N(C=N2)C3=NC4=C(C=CC=C4N5CCC(CC5)N)C=C3","DEEOXSOLTLIWMG-UHFFFAOYSA-N",10158940,NA,"PDBC02466",NA,"Present",NA,NA
+"2467","Otenabant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CP-945,598","CCNC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)C(=O)N","UNAZAADNBYXMIV-UHFFFAOYSA-N",10052040,NA,"PDBC02467",NA,"Present",NA,NA
+"2468","4-Acetamido-N-tert-butylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CPI-1189","CC(=O)NC1=CC=C(C=C1)C(=O)NC(C)(C)C","DJKNRCWSXSZACF-UHFFFAOYSA-N",151118,NA,"PDBC02468",NA,"Present",NA,NA
+"2469","CPP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CPP",NA,NA,NA,NA,"PDBC02469",NA,"Present",NA,NA
+"2470","CR8-(R)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CR8-(R)","CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4","HOCBJBNQIQQQGT-LJQANCHMSA-N",10224714,NA,"PDBC02470",NA,"Present",NA,NA
+"2471","1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-110266","C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4","RGSVXQJPSWZXOP-UHFFFAOYSA-N",123692,NA,"PDBC02471",NA,"Present",NA,NA
+"2472","Fimepinostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CUDC-907","CUDC-907","CN(CC1=CC2=C(S1)C(=NC(=N2)C3=CN=C(C=C3)OC)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO","JOWXJLIFIIOYMS-UHFFFAOYSA-N",54575456,NA,"PDBC02472","771751","Present",NA,NA
+"2473","CYC-116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CYC-116","CYC116","CC1=C(SC(=N1)N)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4","GPSZYOIFQZPWEJ-UHFFFAOYSA-N",6420138,NA,"PDBC02473","759498","Present",NA,NA
+"2474","CK1 Inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-4476","C1COC2=C(O1)C=CC(=C2)C3=C(NC(=N3)C4=CC=C(C=C4)C(=O)N)C5=CC=CC=N5","DPDZHVCKYBCJHW-UHFFFAOYSA-N",6419753,NA,"PDBC02474",NA,"Present",NA,NA
+"2475","(5-Methoxy-1H-indol-2-yl)-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-64131","COC1=CC2=C(C=C1)NC(=C2)C(=O)C3=CC=CC=C3","ICMIJSRDISNKOC-UHFFFAOYSA-N",3921152,NA,"PDBC02475",NA,"Present",NA,NA
+"2476","D-7193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-7193","CC(=O)NC(CSSCC(C(=O)O)NC(=O)C)C(=O)O","YTPQSLLEROSACP-OCAPTIKFSA-N",99280,NA,"PDBC02476",NA,"Present",NA,NA
+"2477","D-Serine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Serine","C(C(C(=O)O)N)O","MTCFGRXMJLQNBG-UWTATZPHSA-N",71077,NA,"PDBC02477",NA,"Present",NA,NA
+"2478","Dcebio",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DCEBIO","CCN1C2=CC(=C(C=C2NC1=O)Cl)Cl","LKHRMULASXZCLG-UHFFFAOYSA-N",656765,NA,"PDBC02478",NA,"Present",NA,NA
+"2479","DMH1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DMH1","CC(C)OC1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2","JMIFGARJSWXZSH-UHFFFAOYSA-N",50997747,NA,"PDBC02479",NA,"Present",NA,NA
+"2480","DPI-201106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DPI-201106","C1CN(CCN1CC(COC2=CC=CC3=C2C=C(N3)C#N)O)C(C4=CC=CC=C4)C5=CC=CC=C5","BYBYHCOEAFHGJL-UHFFFAOYSA-N",5190,NA,"PDBC02480",NA,"Present",NA,NA
+"2481","Arg-gly-asp-ser",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DU-728","C(CC(C(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)O)N)CN=C(N)N","NNRFRJQMBSBXGO-CIUDSAMLSA-N",107775,NA,"PDBC02481",NA,"Present",NA,NA
+"2482","Noopept",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DVD-111","CCOC(=O)CNC(=O)C1CCCN1C(=O)CC2=CC=CC=C2","PJNSMUBMSNAEEN-AWEZNQCLSA-N",180496,NA,"PDBC02482",NA,"Present",NA,NA
+"2483","E-7449",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E-7449","E7449","C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3","JLFSBHQQXIAQEC-UHFFFAOYSA-N",135565981,NA,"PDBC02483","783107","Present",NA,NA
+"2484","EMD-53998",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EMD-53998","CC1C(=NNC(=O)S1)C2=CC3=C(C=C2)N(CCC3)C(=O)C4=CC(=C(C=C4)OC)OC","IZLRMTJLQCLMKF-UHFFFAOYSA-N",187079,NA,"PDBC02484",NA,"Present",NA,NA
+"2485","ENMD-2076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758245///NSC800094","ENMD-2076","CC1=CC(=NN1)NC2=CC(=NC(=N2)C=CC3=CC=CC=C3)N4CCN(CC4)C","BLQYVHBZHAISJM-CMDGGOBGSA-N",16041424,NA,"PDBC02485","758245///800094","Present","ENMD2076",NA
+"2486","ER-27319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ER-27319","CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3N2CCCN)C.C(=O)(C(=O)O)O","IIELZHYJYZBSGG-UHFFFAOYSA-N",9799508,NA,"PDBC02486",NA,"Present",NA,NA
+"2487","NF-kB Activation Inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NF-kB Activation Inhibitor",NA,NA,NA,"EVP4593",NA,NA,509554,NA,"PDBC02487",NA,"Present",NA,NA
+"2488","Unii-9fut9FH3EX",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FERb-033","C1=CC(=C(C=C1C2=C(C(=C(C=C2)C=NO)O)Cl)F)O","LRRMQNGSYOUANY-OMCISZLKSA-N",135931707,NA,"PDBC02488",NA,"Present",NA,NA
+"2489","Roxadustat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FG-4592","CC1=C2C=C(C=CC2=C(C(=N1)C(=O)NCC(=O)O)O)OC3=CC=CC=C3","YOZBGTLTNGAVFU-UHFFFAOYSA-N",11256664,NA,"PDBC02489",NA,"Present",NA,NA
+"2490","N-(4-Acetyl-2-(2,4-difluorophenoxy)phenyl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FK-3311","CC(=O)C1=CC(=C(C=C1)NS(=O)(=O)C)OC2=C(C=C(C=C2)F)F","DIIYLGZNZGPXRR-UHFFFAOYSA-N",164009,NA,"PDBC02490",NA,"Present",NA,NA
+"2491","FK-888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FK-888","CN1C=C(C2=CC=CC=C21)C(=O)N3CC(CC3C(=O)NC(CC4=CC5=CC=CC=C5C=C4)C(=O)N(C)CC6=CC=CC=C6)O","BFNKQTIJVFGCKQ-PDJGWCFMSA-N",107967,NA,"PDBC02491",NA,"Present",NA,NA
+"2492","FLI-06",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FLI-06","CC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC4CCCCC4","SWWVFYHSSOWZMF-UHFFFAOYSA-N",3103157,NA,"PDBC02492",NA,"Present",NA,NA
+"2493","FPH1-(BRD-6125)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FPH1-(BRD-6125)",NA,NA,NA,NA,"PDBC02493",NA,"Present",NA,NA
+"2494","FR-122047",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FR-122047","CN1CCN(CC1)C(=O)C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","UBHKJRYGKOSQDJ-UHFFFAOYSA-N",196841,NA,"PDBC02494",NA,"Present",NA,NA
+"2495","FR-139317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FR-139317","CC(C)CC(C(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)NC(CC3=CC=CC=N3)C(=O)O)NC(=O)N4CCCCCC4","LIOKMIQQPDDTNO-UPRLRBBYSA-N",107810,NA,"PDBC02495",NA,"Present",NA,NA
+"2496","G-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"G-1","CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC5=C(C=C4Br)OCO5","VHSVKVWHYFBIFJ-HKZYLEAXSA-N",5322399,NA,"PDBC02496",NA,"Present",NA,NA
+"2497","Gdc-0152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GDC-0152","GDC-0152","CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3=C(N=NS3)C4=CC=CC=C4)NC","WZRFLSDVFPIXOV-LRQRDZAKSA-N",46940575,NA,"PDBC02497","765898","Present",NA,NA
+"2498","Gdc-0349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771532///NSC800987","GDC-0349","CCNC(=O)NC1=CC=C(C=C1)C2=NC3=C(CCN(C3)C4COC4)C(=N2)N5CCOCC5C","RGJOJUGRHPQXGF-INIZCTEOSA-N",59239165,NA,"PDBC02498","771532///800987","Present",NA,NA
+"2499","GS-39783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GS-39783","CSC1=NC(=C(C(=N1)NC2CCCC2)[N+](=O)[O-])NC3CCCC3","GSGVDKOCBKBMGG-UHFFFAOYSA-N",6604928,NA,"PDBC02499",NA,"Present",NA,NA
+"2500","GSK1292263",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1292263","CC(C)C1=NOC(=N1)N2CCC(CC2)COC3=CN=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C","AYJRTVVIBJSSKN-UHFFFAOYSA-N",24996872,NA,"PDBC02500",NA,"Present",NA,NA
+"2501","GSK-1838705A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-1838705A",NA,NA,"CT-GSK183","GSK1838705A",NA,NA,25182616,NA,"PDBC02501","766255","Present",NA,NA
+"2502","GSK256066",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK256066","CC1=CC(=CC2=C(C(=CN=C12)C(=O)N)NC3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC(=C4)C(=O)N(C)C","JFHROPTYMMSOLG-UHFFFAOYSA-N",9827968,NA,"PDBC02502",NA,"Present",NA,NA
+"2503","GSK2656157",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK2656157","CC1=NC(=CC=C1)CC(=O)N2CCC3=C2C=CC(=C3F)C4=CN(C5=NC=NC(=C45)N)C","PRWSIEBRGXYXAJ-UHFFFAOYSA-N",53469059,NA,"PDBC02503",NA,"Present",NA,NA
+"2504","GSK2830371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK2830371","CC1=C(C=C(C=N1)Cl)NCC2=CC=C(S2)C(=O)NC(CC3CCCC3)C(=O)NC4CC4","IVDUVEGCMXCMSO-FQEVSTJZSA-N",70983932,NA,"PDBC02504",NA,"Present",NA,NA
+"2505","3-Phenyl-1H-benzofuro[3,2-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GTP-14564","C1=CC=C(C=C1)C2=NNC3=C2OC4=CC=CC=C43","DZQLVVLATXPWBK-UHFFFAOYSA-N",3385203,NA,"PDBC02505",NA,"Present",NA,NA
+"2506","GW-3965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW-3965","C1=CC=C(C=C1)C(CN(CCCOC2=CC=CC(=C2)CC(=O)O)CC3=C(C(=CC=C3)C(F)(F)F)Cl)C4=CC=CC=C4","NAXSRXHZFIBFMI-UHFFFAOYSA-N",447905,NA,"PDBC02506",NA,"Present",NA,NA
+"2507","Endurobol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW-501516","CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O","YDBLKRPLXZNVNB-UHFFFAOYSA-N",9803963,NA,"PDBC02507",NA,"Present",NA,NA
+"2508","GW-583340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW-583340","CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","MNNXRVSQOABRRP-UHFFFAOYSA-N",5329480,NA,"PDBC02508",NA,"Present",NA,NA
+"2509","GW-788388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW-788388","C1COCCC1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5","SAGZIBJAQGBRQA-UHFFFAOYSA-N",10202642,NA,"PDBC02509",NA,"Present",NA,NA
+"2510","GW-842166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW-842166","C1COCCC1CNC(=O)C2=CN=C(N=C2C(F)(F)F)NC3=C(C=C(C=C3)Cl)Cl","TWQYWUXBZHPIIV-UHFFFAOYSA-N",10253143,NA,"PDBC02510",NA,"Present",NA,NA
+"2511","GZD824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GZD824","CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CC5=C(NN=C5)N=C4","TZKBVRDEOITLRB-UHFFFAOYSA-N",51038269,NA,"PDBC02511",NA,"Present",NA,NA
+"2512","HA14-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-amino-6-bromo-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H...","HA14-1","CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)Br)N","SXJDCULZDFWMJC-UHFFFAOYSA-N",3549,NA,"PDBC02512","720569","Present",NA,NA
+"2513","Hmn-214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HMN-214","HMN-214","CC(=O)N(C1=CC=CC=C1C=CC2=CC=[N+](C=C2)[O-])S(=O)(=O)C3=CC=C(C=C3)OC","OCKHRKSTDPOHEN-BQYQJAHWSA-N",9888590,NA,"PDBC02513","800767","Present",NA,NA
+"2514","I-BET-151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"I-BET-151","I-BET151","CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=O)N4)C(C)C5=CC=CC=N5)OC","VUVUVNZRUGEAHB-CYBMUJFWSA-N",52912189,NA,"PDBC02514","767599","Present",NA,NA
+"2515","ICG-001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICG-001","ICG-001","C1CN(C2CN(C(=O)C(N2C1=O)CC3=CC=C(C=C3)O)CC4=CC=CC5=CC=CC=C54)C(=O)NCC6=CC=CC=C6","HQWTUOLCGKIECB-XZWHSSHBSA-N",11238147,NA,"PDBC02515","756641","Present",NA,NA
+"2516","ICI-162846",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICI-162846","C1=CN(N=C1NC(=NCC(F)(F)F)N)CCCCC(=O)N","ALCSGJCIESECFD-UHFFFAOYSA-N",134778,NA,"PDBC02516",NA,"Present",NA,NA
+"2517","IDRA-21",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDRA-21","CC1NC2=C(C=C(C=C2)Cl)S(=O)(=O)N1","VZRNTCHTJRLTMU-UHFFFAOYSA-N",3688,NA,"PDBC02517",NA,"Present",NA,NA
+"2518","N-(1-Adamantylmethyl)-1,5-pentanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IEM1754","C1C2CC3CC1CC(C2)(C3)CNCCCCCN","UWWMQHVWAYFCDT-UHFFFAOYSA-N",9887868,NA,"PDBC02518",NA,"Present",NA,NA
+"2519","Capmatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TABRECTA","INC-280","CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F","LIOLIMKSCNQPLV-UHFFFAOYSA-N",25145656,NA,"PDBC02519","777878","Present",NA,NA
+"2520","INH1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"INH1","CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC=CC=C3)C","JPMOKRWIYQGMJL-UHFFFAOYSA-N",959043,NA,"PDBC02520",NA,"Present",NA,NA
+"2521","IOWH032",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IOWH032","C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=O)C3=NC(=NO3)C4=CC(=C(C(=C4)Br)O)Br","DSFNLJXHXBIKDS-UHFFFAOYSA-N",135565181,NA,"PDBC02521",NA,"Present",NA,NA
+"2522","JIB04",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JIB04","C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3","YHHFKWKMXWRVTJ-XLNRJJMWSA-N",5825881,NA,"PDBC02522",NA,"Present",NA,NA
+"2523","JNJ-16259685",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNJ-16259685","COC1CCC(CC1)C(=O)C2=CC3=CC4=C(N=C3C=C2)OCCC4","QOTAQTRFJWLFCR-UHFFFAOYSA-N",11313361,NA,"PDBC02523",NA,"Present",NA,NA
+"2524","Quisinostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quisinostat","JNJ-26481585","CN1C=C(C2=CC=CC=C21)CNCC3CCN(CC3)C4=NC=C(C=N4)C(=O)NO","PAWIYAYFNXQGAP-UHFFFAOYSA-N",11538455,NA,"PDBC02524","759657","Present",NA,NA
+"2525","JNJ-7706621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNJ-7706621",NA,NA,NA,"JNJ-7706621",NA,NA,5330790,NA,"PDBC02525",NA,"Present",NA,NA
+"2526","JQ1-(+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760183///NSC764043","JQ1-(+)","CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)OC(C)(C)C)C4=CC=C(C=C4)Cl)C","DNVXATUJJDPFDM-KRWDZBQOSA-N",46907787,NA,"PDBC02526","760183///764043","Present",NA,NA
+"2527","Jtc-801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JTC-801","CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N.Cl","NQLIYKXNAXKMBL-UHFFFAOYSA-N",5311339,NA,"PDBC02527",NA,"Present",NA,NA
+"2528","JTE-607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JTE-607","CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=C(C(=C2O)Cl)OCCN3CCN(CC3)C)Cl.Cl.Cl","JUJAUEQJEWIWCQ-FJSYBICCSA-N",9938544,NA,"PDBC02528",NA,"Present",NA,NA
+"2529","K-858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"K-858","CC(=O)NC1=NN(C(S1)(C)C2=CC=CC=C2)C(=O)C","JEFVYQYZCAVNTP-UHFFFAOYSA-N",2930014,NA,"PDBC02529",NA,"Present",NA,NA
+"2530","K-Ras(G12C)-inhibitor-6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"K-Ras(G12C)-inhibitor-6","C1CN(CCC1NC(=O)CCCS)C(=O)COC2=C(C=C(C=C2)Cl)Cl","ZPXCEHMKUTXHRZ-UHFFFAOYSA-N",71815954,NA,"PDBC02530",NA,"Present",NA,NA
+"2531","5-(Tetradecyloxy)-2-furoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KD-023","CCCCCCCCCCCCCCOC1=CC=C(O1)C(=O)O","CZRCFAOMWRAFIC-UHFFFAOYSA-N",115175,NA,"PDBC02531",NA,"Present",NA,NA
+"2532","KD025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KD025","CC(C)NC(=O)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=N2)NC4=CC5=C(C=C4)NN=C5","GKHIVNAUVKXIIY-UHFFFAOYSA-N",11950170,NA,"PDBC02532",NA,"Present",NA,NA
+"2533","KF-38789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KF-38789","CC1=CC(=C(C(=O)O1)C2=NCCSC(C2)C3=C(C=C(C=C3)OC)OC)O","NHFIAAAMCYVRIW-UHFFFAOYSA-N",135400439,NA,"PDBC02533",NA,"Present",NA,NA
+"2534","KI-16425",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KI-16425","CC1=NOC(=C1NC(=O)OC(C)C2=CC=CC=C2Cl)C3=CC=C(C=C3)CSCCC(=O)O","LLIFMNUXGDHTRO-UHFFFAOYSA-N",10367662,NA,"PDBC02534",NA,"Present",NA,NA
+"2535","2'-Deoxy-5,6-dihydro-5-azacytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KP-1212","C1C(C(OC1N2CN=C(NC2=O)N)CO)O","LAOLDMMWVYDDID-KVQBGUIXSA-N",9859433,NA,"PDBC02535",NA,"Present",NA,NA
+"2536","KPT-276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(3-(3,5-bis(trifluoromethyl)phenyl)-1H-1,2,4-triaz...","KPT-276","C1C(CN1C(=O)C=CN2C=NC(=N2)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)(F)F","JCHAWRDHMUSLMM-UPHRSURJSA-N",71496742,NA,"PDBC02536","762445","Present",NA,NA
+"2537","KW-2478 free base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KW-2478","CCC1=C(C(=C(C=C1O)O)C(=O)C2=CC(=C(C=C2)OCCN3CCOCC3)OC)CC(=O)N(CCOC)CCOC","VFUXSYAXEKYYMB-UHFFFAOYSA-N",23116322,NA,"PDBC02537",NA,"Present",NA,NA
+"2538","KY02111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KY02111","COC1=C(C=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)OC","LXFKEVQQSKQXPR-UHFFFAOYSA-N",8582409,NA,"PDBC02538",NA,"Present",NA,NA
+"2539","L-798,106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-798,106","COC1=C(C=C(C=C1)Br)S(=O)(=O)NC(=O)C=CC2=CC=CC=C2CC3=CC4=CC=CC=C4C=C3","ODTKFNUPVBULRJ-NTCAYCPXSA-N",15551229,NA,"PDBC02539",NA,"Present",NA,NA
+"2540","LB42708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LB42708","C1COCCN1C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC=C(C=C6)Br","GUUIRIMAQGOLHT-UHFFFAOYSA-N",10099206,NA,"PDBC02540",NA,"Present",NA,NA
+"2541","LDN-212854",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LDN-212854","C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=C6C=CC=NC6=CC=C5)N=C3","BBDGBGOVJPEFBT-UHFFFAOYSA-N",60182388,NA,"PDBC02541",NA,"Present",NA,NA
+"2542","LDN-57444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LDN-57444","CC(=O)ON=C1C2=C(C=CC(=C2)Cl)N(C1=O)CC3=C(C=CC(=C3)Cl)Cl","OPQRFPHLZZPCCH-PGMHBOJBSA-N",16760696,NA,"PDBC02542",NA,"Present",NA,NA
+"2543","Encorafenib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Encorafenib","LGX818","CC(C)N1C=C(C(=N1)C2=C(C(=CC(=C2)Cl)NS(=O)(=O)C)F)C3=NC(=NC=C3)NCC(C)NC(=O)OC","CMJCXYNUCSMDBY-ZDUSSCGKSA-N",50922675,NA,"PDBC02543","778304","Present",NA,NA
+"2544","LY-2090314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-2090314","LY2090314","C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7","HRJWTAWVFDCTGO-UHFFFAOYSA-N",10029385,NA,"PDBC02544","772198","Present",NA,NA
+"2545","LY2334737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY2334737","CCCC(CCC)C(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)F","MEOYFIHNRBNEPI-UXIGCNINSA-N",11646777,NA,"PDBC02545",NA,"Present",NA,NA
+"2546","Rabusertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761188///NSC800860","LY2603618","CC1=CC(=C(C=C1Br)NC(=O)NC2=NC=C(N=C2)C)OCC3CNCCO3","SYYBDNPGDKKJDU-ZDUSSCGKSA-N",11955855,NA,"PDBC02546","761188///800860","Present",NA,NA
+"2547","Prexasertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-2606368","LY2606368","COC1=C(C(=CC=C1)OCCCN)C2=CC(=NN2)NC3=NC=C(N=C3)C#N","DOTGPNHGTYJDEP-UHFFFAOYSA-N",46700756,NA,"PDBC02547","758257","Present",NA,NA
+"2548","LY2608204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY2608204","C1CCC(CC1)C2CC2(C3=CC=C(C=C3)S(=O)(=O)C4CC4)C(=O)NC5=NC=C(S5)SCCN6CCCC6","QIIVJLHCZUTGSD-CUBQBAPOSA-N",46832368,NA,"PDBC02548",NA,"Present",NA,NA
+"2549","Gandotinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gandotinib","LY2784544","CC1=CC(=NN1)NC2=NN3C(=C(N=C3C(=C2)CN4CCOCC4)C)CC5=C(C=C(C=C5)Cl)F","SQSZANZGUXWJEA-UHFFFAOYSA-N",46213929,NA,"PDBC02549","764820","Present",NA,NA
+"2550","Merestinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-2801653","LY2801653","CC1=CC=C(C(=O)N1C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C=C5C(=C4)C=NN5C)C6=CNN=C6)F","QHADVLVFMKEIIP-UHFFFAOYSA-N",44603533,NA,"PDBC02550","772197","Present",NA,NA
+"2551","LY-2874455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-2874455","LY2874455","CC(C1=C(C=NC=C1Cl)Cl)OC2=CC3=C(C=C2)NN=C3C=CC4=CN(N=C4)CCO","GKJCVYLDJWTWQU-CXLRFSCWSA-N",46944259,NA,"PDBC02551","771750","Present",NA,NA
+"2552","Samotolisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789968///NSC800994","LY3023414","CC(CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC","ACCFLVVUVBJNGT-AWEZNQCLSA-N",57519748,NA,"PDBC02552","789968///800994","Present",NA,NA
+"2553","2-Piperazinyl-8-phenyl-4H-1-benzopyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Piperazinyl-8-phenyl-4H-1-benzopyran-4-one","LY303511","C1CN(CCN1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=CC=C4","NGAGMBNBKCDCDJ-UHFFFAOYSA-N",3971,NA,"PDBC02553","736787","Present",NA,NA
+"2554","4-(3-Pyridin-2-YL-1H-pyrazol-4-YL)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY364947","C1=CC=C2C(=C1)C(=CC=N2)C3=C(NN=C3)C4=CC=CC=N4","IBCXZJCWDGCXQT-UHFFFAOYSA-N",447966,NA,"PDBC02554",NA,"Present",NA,NA
+"2555","6-Methoxy-N-(4-methoxyphenyl)quinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY456236","COC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)OC","XPJOMFBGKIABQW-UHFFFAOYSA-N",9926999,NA,"PDBC02555",NA,"Present",NA,NA
+"2556","m344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m344","M-344","CN(C)C1=CC=C(C=C1)C(=O)NCCCCCCC(=O)NO","MXWDSZWTBOCWBK-UHFFFAOYSA-N",3994,NA,"PDBC02556","718169","Present",NA,NA
+"2557","MEK1-2-inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MEK1-2-inhibitor","C1=CC=C(C(=C1)C(C#N)C(=N)SC2=CC=C(C=C2)N)C(F)(F)F","XQRVCODIGHFXKQ-UHFFFAOYSA-N",54483521,NA,"PDBC02557",NA,"Present",NA,NA
+"2558","Binimetinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARRY-162///Binimetinib","MEK162","CN1C=NC2=C1C=C(C(=C2F)NC3=C(C=C(C=C3)Br)F)C(=O)NOCCO","ACWZRVQXLIRSDF-UHFFFAOYSA-N",10288191,NA,"PDBC02558","764042///799361","Present",NA,NA
+"2559","MK-0773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-0773","CC12CCC3C(C1CCC2C(=O)NCC4=NC5=C(N4)C=CC=N5)CCC6C3(C=C(C(=O)N6C)F)C","GBEUKTWTUSPHEE-JWJWXJQQSA-N",11950726,NA,"PDBC02559",NA,"Present",NA,NA
+"2560","MK-0812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-0812","CC(C)C1(CCC(C1)NC2CCOCC2OC)C(=O)N3CCC4=C(C3)C=C(C=N4)C(F)(F)F","MTMDXAIUENDNDL-RJSMDTJLSA-N",11180808,NA,"PDBC02560",NA,"Present",NA,NA
+"2561","MK-2461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-2461","MK-2461","CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)NS(=O)(=O)N(C)CC5COCCO5)N=C2","JGEBLDKNWBUGRZ-HXUWFJFHSA-N",44137946,NA,"PDBC02561","764580","Present",NA,NA
+"2562","MK-3207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-3207","C1CCC2(C1)C(=O)N(C(CN2)C3=CC(=CC(=C3)F)F)CC(=O)NC4=CC5=C(CC6(C5)C7=C(NC6=O)N=CC=C7)C=C4","AZAANWYREOQRFB-SETSBSEESA-N",25019940,NA,"PDBC02562",NA,"Present",NA,NA
+"2563","MK-8245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-8245","C1CN(CCC1OC2=C(C=CC(=C2)F)Br)C3=NOC(=C3)C4=NN(N=N4)CC(=O)O","UJEAABFSXKCSGI-UHFFFAOYSA-N",24988881,NA,"PDBC02563",NA,"Present",NA,NA
+"2564","MK-8745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-8745","C1CN(CCN1CC2=NC(=CC=C2)NC3=NC=CS3)C(=O)C4=C(C(=CC=C4)Cl)F","YCRFPWKUUNKNDN-UHFFFAOYSA-N",11676373,NA,"PDBC02564",NA,"Present",NA,NA
+"2565","N-(4-Methoxybenzyl)-1-(naphthalen-1-yl)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ML133","COC1=CC=C(C=C1)CNCC2=CC=CC3=CC=CC=C32","GIFYKGIODMXYNT-UHFFFAOYSA-N",781301,NA,"PDBC02565",NA,"Present",NA,NA
+"2566","MLN8054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MLN8054",NA,NA,NA,"MLN-8054",NA,NA,11712649,NA,"PDBC02566",NA,"Present",NA,NA
+"2567","Sapanisertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"INK-128","INK 128",NA,"3-(2-aminobenzo[d]oxazol-5-yl)-1-isopropyl-1H-pyrazolo[3...///INK-128///Sapanisertib","MLN0128",NA,NA,45375953,NA,"PDBC02567","780880///764658///800875","Present",NA,NA
+"2568","MNS-(3,4-Methylenedioxy-Nitrostyrene)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MNS-(3,4-Methylenedioxy-nitrostyrene)",NA,NA,NA,NA,"PDBC02568",NA,"Present",NA,NA
+"2569","MPI-0479605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MPI-0479605","CC1=C(C=CC(=C1)N2CCOCC2)NC3=NC4=C(C(=N3)NC5CCCCC5)NC=N4","OVJBNYKNHXJGSA-UHFFFAOYSA-N",46909588,NA,"PDBC02569",NA,"Present",NA,NA
+"2570","MRS 1220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MRS 1220","MRS-1220","C1=CC=C(C=C1)CC(=O)NC2=NC3=C(C=C(C=C3)Cl)C4=NC(=NN42)C5=CC=CO5","TWWFAXQOKNBUCR-UHFFFAOYSA-N",393595,NA,"PDBC02570","695674","Present",NA,NA
+"2571","MTPG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MTPG",NA,NA,NA,NA,"PDBC02571",NA,"Present",NA,NA
+"2572","N-Acetylmannosamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-acetylmannosamine","CC(=O)NC1C(C(C(OC1O)CO)O)O","OVRNDRQMDRJTHS-OZRXBMAMSA-N",11096158,NA,"PDBC02572",NA,"Present",NA,NA
+"2573","NAN-190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NAN-190","COC1=CC=CC=C1N2CCN(CC2)CCCCN3C(=O)C4=CC=CC=C4C3=O","SJDOMIRMMUGQQK-UHFFFAOYSA-N",4431,NA,"PDBC02573",NA,"Present",NA,NA
+"2574","NMS-1286937",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781344///NSC800806","NMS-1286937","CN1CCN(CC1)C2=CC(=C(C=C2)OC(F)(F)F)NC3=NC=C4CCC5=C(C4=N3)N(N=C5C(=O)N)CCO","QHLVBNKYJGBCQJ-UHFFFAOYSA-N",49792852,NA,"PDBC02574","781344///800806","Present",NA,NA
+"2575","NMS-873",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NMS-873","CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CN=CC=C3)SC4CCCC4)C5=CC=C(C=C5)S(=O)(=O)C","UJGTUKMAJVCBIS-UHFFFAOYSA-N",71521142,NA,"PDBC02575",NA,"Present",NA,NA
+"2576","NMS-E973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NMS-E973","CN1CCC(CC1)NC(=O)C2=NOC(=C2)C3=C(C=C(C=C3OC4=CC=C(C=C4)[N+](=O)[O-])O)O","YLQODGGPIHWTHR-UHFFFAOYSA-N",135566652,NA,"PDBC02576",NA,"Present",NA,NA
+"2577","5-Nitroso-8-hydroxyquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydron III","NSC-3852","C1=CC2=C(C=CC(=C2N=C1)O)N=O","RZWRYPGAUIOOMK-UHFFFAOYSA-N",19103,NA,"PDBC02577","3852","Present",NA,NA
+"2578","2-[(4-Methylphenyl)sulfonyl]-5-nitrofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-5-p-toluenesulfonylfuran","NSC-697923","CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(O2)[N+](=O)[O-]","GAUHIPWCDXOLCZ-UHFFFAOYSA-N",394449,NA,"PDBC02578","697923","Present",NA,NA
+"2579","6-Cyclohexylmethyloxy-5-nitroso-pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-diamino-4-cyclohexylmethoxy-5-nitrosopyrimidine///NU-6027","NU6027","C1CCC(CC1)COC2=NC(=NC(=C2N=O)N)N","DGWXOLHKVGDQLN-UHFFFAOYSA-N",398148,NA,"PDBC02579","707616///756874","Present",NA,NA
+"2580","NVP-BHG712",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NVP-BHG712","NVP-BHG712","CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)NC3=C4C=NN(C4=NC(=N3)C5=CN=CC=C5)C","ZCCPLJOKGAACRT-UHFFFAOYSA-N",16747388,NA,"PDBC02580","820919","Present",NA,NA
+"2581","NVP-BVU972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NVP-BVU972","CN1C=C(C=N1)C2=NN3C(=NC=C3CC4=CC5=C(C=C4)N=CC=C5)C=C2","RNCNPRCUHHDYPC-UHFFFAOYSA-N",44206063,NA,"PDBC02581",NA,"Present",NA,NA
+"2582","TAE-226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAE-226","NVP-TAE226","CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCOCC4)OC","UYJNQQDJUOUFQJ-UHFFFAOYSA-N",9934347,NA,"PDBC02582","787252","Present",NA,NA
+"2583","N-Oleoyldopamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OLDA","CCCCCCCCC=CCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O","QQBPLXNESPTPNU-KTKRTIGZSA-N",5282106,NA,"PDBC02583",NA,"Present",NA,NA
+"2584","ONC201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ONC201","CC1=CC=CC=C1CN2C(=O)C3=C(CCN(C3)CC4=CC=CC=C4)N5C2=NCC5","VLULRUCCHYVXOH-UHFFFAOYSA-N",73777259,NA,"PDBC02584",NA,"Present",NA,NA
+"2585","ONX-0914",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ONX-0914","CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(CO3)C)NC(=O)CN4CCOCC4","WQAVPPWWLLVGFK-VTNASVEKSA-N",23642227,NA,"PDBC02585",NA,"Present",NA,NA
+"2586","OSI-420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OSI-420","COCCOC1=C(C=C2C(=C1)N=CN=C2NC3=CC=CC(=C3)C#C)OCCO.Cl","BUOXOWNQZVIETJ-UHFFFAOYSA-N",18924996,NA,"PDBC02586",NA,"Present",NA,NA
+"2587","Otssp167",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OTSSP167","OTS167","CC(=O)C1=CN=C2C=CC(=NC2=C1NC3CCC(CC3)CN(C)C)C4=CC(=C(C(=C4)Cl)O)Cl","DKZYXHCYPUVGAF-UHFFFAOYSA-N",135398499,NA,"PDBC02587","801013","Present",NA,NA
+"2588","P-276-00",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P-276-00","P276-00","CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O","QLUYMIVVAYRECT-OCCSQVGLSA-N",23643976,NA,"PDBC02588","800813","Present",NA,NA
+"2589","P5091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P5091","CC(=O)C1=CC(=C(S1)SC2=C(C(=CC=C2)Cl)Cl)[N+](=O)[O-]","LKZLGMAAKNEGCH-UHFFFAOYSA-N",2819993,NA,"PDBC02589",NA,"Present",NA,NA
+"2590","Abexinostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Abexinostat","PCI-24781","CN(C)CC1=C(OC2=CC=CC=C21)C(=O)NCCOC3=CC=C(C=C3)C(=O)NO","MAUCONCHVWBMHK-UHFFFAOYSA-N",11749858,NA,"PDBC02590","764136","Present",NA,NA
+"2591","4-[(3-Bromophenyl)amino]-6-acrylamidoquinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PD-168393","C=CC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br","HTUBKQUPEREOGA-UHFFFAOYSA-N",4708,NA,"PDBC02591",NA,"Present",NA,NA
+"2592","PD-198306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PD-198306","CC1=C(C=CC(=C1)I)NC2=C(C(=C(C=C2C(=O)NOCC3CC3)F)F)F","UHAXDAKQGVISBZ-UHFFFAOYSA-N",9956637,NA,"PDBC02592",NA,"Present",NA,NA
+"2593","PD-407824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PD-407824","C1=CC=C(C=C1)C2=CC3=C(C4=C(N3)C=CC(=C4)O)C5=C2C(=O)NC5=O","IAUZTOZLTFSMIE-UHFFFAOYSA-N",4369491,NA,"PDBC02593",NA,"Present",NA,NA
+"2594","Petcm",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Petcm","PETCM","C1=CN=CC=C1CC(C(Cl)(Cl)Cl)O","NGTDJJKTGRNNAU-UHFFFAOYSA-N",224859,NA,"PDBC02594","13699","Present",NA,NA
+"2595","Incb8761(PF-4136309)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-04136309","PF-04136309","C1CC(CCC1NC2CCN(C2)C(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F)(C4=NC=C(C=C4)C5=NC=CC=N5)O","ZNSVOHSYDRPBGI-CBQRAPNFSA-N",11192346,NA,"PDBC02595","796433","Present",NA,NA
+"2596","PF-04457845",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-04457845","C1CN(CCC1=CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=NN=CC=C4","BATCTBJIJJEPHM-UHFFFAOYSA-N",24771824,NA,"PDBC02596",NA,"Present",NA,NA
+"2597","Gedatolisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PKI-587///Gedatolisib","PF-05212384","CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NC(=NC(=N4)N5CCOCC5)N6CCOCC6","DWZAEMINVBZMHQ-UHFFFAOYSA-N",44516953,NA,"PDBC02597","758256///801014","Present",NA,NA
+"2598","PF-477736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763444///NSC800848","PF-477736","CN1C=C(C=N1)C2=C3C=NNC(=O)C4=C3C(=CC(=C4)NC(=O)C(C5CCCCC5)N)N2","NDEXUOWTGYUVGA-LJQANCHMSA-N",135565545,NA,"PDBC02598","763444///800848","Present",NA,NA
+"2599","CYP3cide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-4981517","CC1=CC=C(C=C1)C2=C(C=NN2C)C3=NN(C4=C3C(=NC=N4)N5CCC(C5)N6CCCCC6)C","WDWIMDKOXZZYHH-FQEVSTJZSA-N",71315139,NA,"PDBC02599",NA,"Present",NA,NA
+"2600","PFK-015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PFK-015","C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)C3=CC=NC=C3","UJJUKZPBUMCSJZ-BQYQJAHWSA-N",25142799,NA,"PDBC02600",NA,"Present",NA,NA
+"2601","PHA-680632",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHA-680632","CCC1=C(C(=CC=C1)CC)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C","OBWNXGOQPLDDPS-UHFFFAOYSA-N",11249084,NA,"PDBC02601",NA,"Present",NA,NA
+"2602","PHA-767491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHA-767491","C1CNC(=O)C2=C1NC(=C2)C3=CC=NC=C3","DKXHSOUZPMHNIZ-UHFFFAOYSA-N",11715767,NA,"PDBC02602",NA,"Present",NA,NA
+"2603","Milciclib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800792","PHA-848125","CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC=C(C=C4)N5CCN(CC5)C)C","RXZMYLDMFYNEIM-UHFFFAOYSA-N",16718576,NA,"PDBC02603","800792","Present",NA,NA
+"2604","PI-828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PI-828","C1COCCN1C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC=C(C=C4)N","WUKMIBOGGXMBAC-UHFFFAOYSA-N",25181195,NA,"PDBC02604",NA,"Present",NA,NA
+"2605","Bimiralisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PQR-309","PI3K-IN-2","C1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)(F)F)N)N4CCOCC4","ADGGYDAFIHSYFI-UHFFFAOYSA-N",58507717,NA,"PDBC02605","785117","Present",NA,NA
+"2606","PKI-179",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PKI-179","C1CC2COCC1N2C3=NC(=NC(=N3)N4CCOCC4)C5=CC=C(C=C5)NC(=O)NC6=CC=NC=C6","WXUUCRLKXQMWRY-UHFFFAOYSA-N",46947264,NA,"PDBC02606",NA,"Present",NA,NA
+"2607","PP-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PP-1","CC1=CC=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C(C)(C)C","ZVPDNRVYHLRXLX-UHFFFAOYSA-N",1400,NA,"PDBC02607",NA,"Present",NA,NA
+"2608","PP-121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PP-121","C1CCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CN=C5C(=C4)C=CN5)N","NVRXTLZYXZNATH-UHFFFAOYSA-N",24905142,NA,"PDBC02608",NA,"Present",NA,NA
+"2609","PP-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PP-2","CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N","PBBRWFOVCUAONR-UHFFFAOYSA-N",4878,NA,"PDBC02609",NA,"Present",NA,NA
+"2610","PP242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PP242",NA,NA,"Pp-242","PP242",NA,NA,135565635,NA,"PDBC02610","764515","Present",NA,NA
+"2611","Propyl pyrazole triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PPT","CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","IOTXSIGGFRQYKW-UHFFFAOYSA-N",5040063,NA,"PDBC02611",NA,"Present",NA,NA
+"2612","PQ-401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PQ-401","CC1=NC2=CC=CC=C2C(=C1)NC(=O)NC3=C(C=CC(=C3)Cl)OC","YBLWOZUPHDKFOT-UHFFFAOYSA-N",9549305,NA,"PDBC02612",NA,"Present",NA,NA
+"2613","3,5-Dithiocyanatopyridine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PR-619","C1=C(C(=NC(=C1SC#N)N)N)SC#N","ZXOBLNBVNROVLC-UHFFFAOYSA-N",2817763,NA,"PDBC02613",NA,"Present",NA,NA
+"2614","Cerdulatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cerdulatinib","PRT062070","CCS(=O)(=O)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4CC4)C(=O)N","BGLPECHZZQDNCD-UHFFFAOYSA-N",44595079,NA,"PDBC02614","825827","Present",NA,NA
+"2615","PSB-1115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PSB-1115","CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)O","UYDRRQPGDSIMNU-UHFFFAOYSA-N",5311479,NA,"PDBC02615",NA,"Present",NA,NA
+"2616","Unii-V14CN8M621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PSI-7976","CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3","TTZHDVOVKQGIBA-YBSJRAAASA-N",45375809,NA,"PDBC02616",NA,"Present",NA,NA
+"2617","PTC-209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PTC-209",NA,NA,"PTC-209",NA,NA,NA,NA,"PDBC02617",NA,"Present",NA,NA
+"2618","PU-H71",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PU-H71 (HSP90 inhibitor)",NA,"pu-h71.2hcl","PU-H71","CC(C)NCCCN1C2=NC=NC(=C2N=C1SC3=C(C=C4C(=C3)OCO4)I)N.Cl","HUAKDRZHOBLKGD-UHFFFAOYSA-N",54613037,NA,"PDBC02618","750424","Present",NA,NA
+"2619","R-306465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R-306465","R306465","C1CN(CCN1C2=NC=C(C=N2)C(=O)NO)S(=O)(=O)C3=CC4=CC=CC=C4C=C3","MUTBJZVSRNUIHA-UHFFFAOYSA-N",10309899,NA,"PDBC02619","773264","Present",NA,NA
+"2620","R406 Benzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R406","CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)O","UXDRJPYSTZHIOE-UHFFFAOYSA-N",11984591,NA,"PDBC02620",NA,"Present",NA,NA
+"2621","R547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773094///NSC800859","R547","COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C","JRNJNYBQQYBCLE-UHFFFAOYSA-N",6918852,NA,"PDBC02621","773094///800859","Present",NA,NA
+"2622","RG2833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RG2833","CC1=CC=C(C=C1)C(=O)NCCCCCC(=O)NC2=CC=CC=C2N","VOPDXHFYDJAYNS-UHFFFAOYSA-N",56654642,NA,"PDBC02622",NA,"Present",NA,NA
+"2623","RGFP966",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RGFP966","C1=CC=C(C=C1)C=CCN2C=C(C=N2)C=CC(=O)NC3=C(C=C(C=C3)F)N","BLVQHYHDYFTPDV-VCABWLAWSA-N",56650312,NA,"PDBC02623",NA,"Present",NA,NA
+"2624","RI-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RI-1","C1COCCN1C2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl","MWSUIZKGNWELRF-UHFFFAOYSA-N",1074953,NA,"PDBC02624",NA,"Present",NA,NA
+"2625","RKI-1447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RKI-1447","C1=CC(=CC(=C1)O)CNC(=O)NC2=NC(=CS2)C3=CC=NC=C3","GDVRVPIXWXOKQO-UHFFFAOYSA-N",60138149,NA,"PDBC02625",NA,"Present",NA,NA
+"2626","2,4-Dichloro-N-isopropyl-N-(2-isopropylaminoethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RN-1734","CC(C)NCCN(C(C)C)S(=O)(=O)C1=C(C=C(C=C1)Cl)Cl","IHYZMEAZAIFMTN-UHFFFAOYSA-N",3601086,NA,"PDBC02626",NA,"Present",NA,NA
+"2627","RS-16566",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RS-16566","CC(C)N1C=NC2=C(C=C(C=C21)Cl)C(=O)NC3CN4CCC3CC4","OGXMGJGFLBSEJW-HNNXBMFYSA-N",6604794,NA,"PDBC02627",NA,"Present",NA,NA
+"2628","RS-17053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RS-17053","CC(C)(CC1=CNC2=C1C=C(C=C2)Cl)NCCOC3=CC=CC=C3OCC4CC4","XLZHXAXXJVKTFM-UHFFFAOYSA-N",3894573,NA,"PDBC02628",NA,"Present",NA,NA
+"2629","RS-504393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RS-504393","CC1=CC2=C(C=C1)NC(=O)OC23CCN(CC3)CCC4=C(OC(=N4)C5=CC=CC=C5)C","ODNICNWASXKNNQ-UHFFFAOYSA-N",9953769,NA,"PDBC02629",NA,"Present",NA,NA
+"2630","RS-67506",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RS-67506","COC1=CC(=C(C=C1C(=O)CCC2CCN(CC2)CCNS(=O)(=O)C)Cl)N","UATDVRSFFGFTAI-UHFFFAOYSA-N",133076,NA,"PDBC02630",NA,"Present",NA,NA
+"2631","RU-58841",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RU-58841","CC1(C(=O)N(C(=O)N1CCCCO)C2=CC(=C(C=C2)C#N)C(F)(F)F)C","ARBYGDBJECGMGA-UHFFFAOYSA-N",132981,NA,"PDBC02631",NA,"Present",NA,NA
+"2632","Ro-04-5595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ro-04-5595","CN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)O)OC","DSTWURHEHMZWEI-UHFFFAOYSA-N",46740,NA,"PDBC02632",NA,"Present",NA,NA
+"2633","Ro-10-5824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ro-10-5824","CC1=NC=C(C(=N1)N)CN2CCC(=CC2)C3=CC=CC=C3","KABDATZAOUSYES-UHFFFAOYSA-N",16759175,NA,"PDBC02633",NA,"Present",NA,NA
+"2634","6-(Benzenesulfinyl)tetrazolo[1,5-b]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ro-106-9920","C1=CC=C(C=C1)S(=O)C2=NN3C(=NN=N3)C=C2","JFSXSNSCPNFCDM-UHFFFAOYSA-N",3906779,NA,"PDBC02634",NA,"Present",NA,NA
+"2635","Ro-4987655",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RO-4987655///NSC800870","Ro-4987655","C1CC(=O)N(OC1)CC2=CC(=C(C(=C2F)F)NC3=C(C=C(C=C3)I)F)C(=O)NOCCO","FIMYFEGKMOCQKT-UHFFFAOYSA-N",11548630,NA,"PDBC02635","762521///800870","Present",NA,NA
+"2636","Ro-90-7501",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ro-90-7501","C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N)N","PAGZCEHLFCJSPV-UHFFFAOYSA-N",824226,NA,"PDBC02636",NA,"Present",NA,NA
+"2637","Ro-9187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ro-9187","C1=CN(C(=O)N=C1N)C2C(C(C(O2)(CO)N=[N+]=[N-])O)O","ODLGMSQBFONGNG-XZMZPDFPSA-N",11514721,NA,"PDBC02637",NA,"Present",NA,NA
+"2638","S-Methyl-L-cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-methylcysteine","CSCC(C(=O)O)N","IDIDJDIHTAOVLG-VKHMYHEASA-N",24417,NA,"PDBC02638",NA,"Present",NA,NA
+"2639","S26948",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S26948","COC(=O)C(CC1=CC=C(C=C1)OCCN2C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)SC2=O)C(=O)OC","NSMJEHGOMXSLCW-UHFFFAOYSA-N",9958279,NA,"PDBC02639",NA,"Present",NA,NA
+"2640","SAR131675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SAR131675","CCN1C(=C(C(=O)C2=C1N=C(C=C2)C#CC(C)(COC)O)C(=O)NC)N","PFMPOBVAYMTUOX-GOSISDBHSA-N",71295845,NA,"PDBC02640",NA,"Present",NA,NA
+"2641","SB-200646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-200646","CN1C=CC2=C1C=CC(=C2)NC(=O)NC3=CN=CC=C3","OJZZJTLBYXHUSJ-UHFFFAOYSA-N",126769,NA,"PDBC02641",NA,"Present",NA,NA
+"2642","SB-205384",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-205384","CC#CCOC(=O)C1=C(N=C2C(=C1N)C3=C(S2)CC(CC3)O)C","JDTZAGLGBRRCJT-UHFFFAOYSA-N",197690,NA,"PDBC02642",NA,"Present",NA,NA
+"2643","SB-216641",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-216641","CC1=C(C=CC(=C1)C2=NOC(=N2)C)C3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)OC)OCCN(C)C","JRNUKVFYILMMLX-UHFFFAOYSA-N",3292447,NA,"PDBC02643",NA,"Present",NA,NA
+"2644","SB-218795",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-218795","COC(=O)C(C1=CC=CC=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","IUMQXQJZIHWLIN-HSZRJFAPSA-N",6604858,NA,"PDBC02644",NA,"Present",NA,NA
+"2645","SB-228357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-228357","COC1=C(C=C2C(=C1)CCN2C(=O)NC3=CC(=CC(=C3)C4=CN=CC=C4)F)C(F)(F)F","RRJLJKRFFRZRAF-UHFFFAOYSA-N",443390,NA,"PDBC02645",NA,"Present",NA,NA
+"2646","SB-2343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778810///NSC800991","SB-2343","CC1=NC2=C(N=C(N=C2N1C(C)C)N3CCOCC3)C4=CN=C(N=C4)N","QYBGBLQCOOISAR-UHFFFAOYSA-N",46912230,NA,"PDBC02646","778810///800991","Present",NA,NA
+"2647","SB-239063",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-239063","SB-239063","COC1=NC=CC(=N1)C2=C(N=CN2C3CCC(CC3)O)C4=CC=C(C=C4)F","ZQUSFAUAYSEREK-UHFFFAOYSA-N",5166,NA,"PDBC02647","756653","Present",NA,NA
+"2648","SB-242235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-242235","COC1=NC=CC(=N1)C2=C(N=CN2C3CCNCC3)C4=CC=C(C=C4)F","PDTYLGXVBIWRIM-UHFFFAOYSA-N",9863367,NA,"PDBC02648",NA,"Present",NA,NA
+"2649","N-(3-Methoxyphenyl)-4-chlorocinnamanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-366791","COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl","RYAMDQKWNKKFHD-JXMROGBWSA-N",667594,NA,"PDBC02649",NA,"Present",NA,NA
+"2650","SB-657510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-657510","CN1CCC(C1)OC2=C(C=CC(=C2)NS(=O)(=O)C3=C(C=C(C(=C3)OC)OC)Br)Cl","KQCZCINJGIRLCD-CYBMUJFWSA-N",11272107,NA,"PDBC02650",NA,"Present",NA,NA
+"2651","Pracinostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pracinostat","SB-939","CCCCC1=NC2=C(N1CCN(CC)CC)C=CC(=C2)C=CC(=O)NO","JHDKZFFAIZKUCU-ZRDIBKRKSA-N",49855250,NA,"PDBC02651","758249","Present",NA,NA
+"2652","Vidofludimus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-12267","COC1=CC=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F","XPRDUGXOWVXZLL-UHFFFAOYSA-N",9820008,NA,"PDBC02652",NA,"Present",NA,NA
+"2653","SC-144",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-144","C1=CN2C3=C(C=C(C=C3)F)N=C(C2=C1)NNC(=O)C4=NC=CN=C4","UEADAWQSJOWXBK-UHFFFAOYSA-N",400169,NA,"PDBC02653",NA,"Present",NA,NA
+"2654","SCH-58261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCH-58261","C1=CC=C(C=C1)CCN2C3=C(C=N2)C4=NC(=NN4C(=N3)N)C5=CC=CO5","UTLPKQYUXOEJIL-UHFFFAOYSA-N",176408,NA,"PDBC02654",NA,"Present",NA,NA
+"2655","SCH-900776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCH-900776","CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)C4CCCNC4","GMIZZEXBPRLVIV-SECBINFHSA-N",46239015,NA,"PDBC02655",NA,"Present",NA,NA
+"2656","SCS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCS","C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2O)O","OMCYEZUIYGPHDJ-UHFFFAOYSA-N",76707,NA,"PDBC02656",NA,"Present",NA,NA
+"2657","Sdz-wag-994",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SDZ-WAG-994","COC1C(C(OC1N2C=NC3=C(N=CN=C32)NC4CCCCC4)CO)O","JAKAFSGZUXCHLF-LSCFUAHRSA-N",164305,NA,"PDBC02657",NA,"Present",NA,NA
+"2658","SGI-1027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SGI-1027","SGI-1027","CC1=CC(=NC(=N1)N)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)NC4=CC=NC5=CC=CC=C54","QSYLKMKIVWJAAK-UHFFFAOYSA-N",24858111,NA,"PDBC02658","783333","Present",NA,NA
+"2659","SGI-1776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SGI-1776 free base",NA,"SGI-1776","SGI-1776",NA,NA,NA,NA,"PDBC02659","800883///757333","Present",NA,NA
+"2660","6-Methyl-2-(phenylazo)-3-pyridinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SIB-1757","CC1=NC(=C(C=C1)O)N=NC2=CC=CC=C2","LOCPVWIREQIGNQ-UHFFFAOYSA-N",5218788,NA,"PDBC02660",NA,"Present",NA,NA
+"2661","SID-7969543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SID-7969543","CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCO4","KWMBIIQCLUIHDI-OAHLLOKOSA-N",2149494,NA,"PDBC02661",NA,"Present",NA,NA
+"2662","SKF-96365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SKF-96365",NA,"SKF-96365","COC1=CC=C(C=C1)CCCOC(CN2C=CN=C2)C3=CC=C(C=C3)OC.Cl","FWLPKVQUECFKSW-UHFFFAOYSA-N",104955,NA,"PDBC02662",NA,"Present",NA,NA
+"2663","SMI-4a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SMI-4a","C1=CC(=CC(=C1)C(F)(F)F)C=C2C(=O)NC(=O)S2","NGJLOFCOEOHFKQ-YVMONPNESA-N",1361334,NA,"PDBC02663",NA,"Present",NA,NA
+"2664","SNS-314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758250///NSC800886","SNS-314","C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=C(S2)CCNC3=NC=NC4=C3SC=C4","FAYAUAZLLLJJGH-UHFFFAOYSA-N",24995524,NA,"PDBC02664","758250///800886","Present","SNS314",NA
+"2665","Snx-5422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SNX-5422","SNX-5422","CC1(CC2=C(C(=O)C1)C(=NN2C3=CC(=C(C=C3)C(=O)N)NC4CCC(CC4)OC(=O)CN)C(F)(F)F)C","AVDSOVJPJZVBTC-UHFFFAOYSA-N",44195571,NA,"PDBC02665","768509","Present",NA,NA
+"2666","Lintitript",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SR-27897","C1=CC=C2C(=C1)C=C(N2CC(=O)O)C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl","ILNRQFBVVQUOLP-UHFFFAOYSA-N",122077,NA,"PDBC02666",NA,"Present",NA,NA
+"2667","SR-33805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SR-33805","CC(C)C1=C(N(C2=CC=CC=C21)C)S(=O)(=O)C3=CC=C(C=C3)OCCCN(C)CCC4=CC(=C(C=C4)OC)OC","GCVFQRRBTCHIPK-UHFFFAOYSA-N",9850876,NA,"PDBC02667",NA,"Present",NA,NA
+"2668","4-Amino-1-(6-chloro-2-pyridyl)-piperidine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SR-57227A","C1CN(CCC1N)C2=NC(=CC=C2)Cl.Cl","FUMINTAAUJUVMP-UHFFFAOYSA-N",131746,NA,"PDBC02668",NA,"Present",NA,NA
+"2669","Apilimod",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STA-5326","CC1=CC(=CC=C1)C=NNC2=CC(=NC(=N2)OCCC3=CC=CC=N3)N4CCOCC4","HSKAZIJJKRAJAV-KOEQRZSOSA-N",10173277,NA,"PDBC02669",NA,"Present",NA,NA
+"2670","STF-118804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STF-118804","CC1=CC=C(C=C1)S(=O)(=O)CC2=C(OC(=N2)C3=CC=C(C=C3)C(=O)NCC4=CN=CC=C4)C","DLFCEZOMHBPDGI-UHFFFAOYSA-N",20916937,NA,"PDBC02670",NA,"Present",NA,NA
+"2671","SU-14813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SU-14813","SU014813","CC1=C(NC(=C1C(=O)NCC(CN2CCOCC2)O)C)C=C3C4=C(C=CC(=C4)F)NC3=O","CTNPALGJUAXMMC-PMFHANACSA-N",10138259,NA,"PDBC02671","800936","Present",NA,NA
+"2672","Halicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SU3327","C1=C(SC(=N1)SC2=NN=C(S2)N)[N+](=O)[O-]","NQQBNZBOOHHVQP-UHFFFAOYSA-N",11837140,NA,"PDBC02672",NA,"Present",NA,NA
+"2673","Tak-285",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAK-285","TAK-285","CC(C)(CC(=O)NCCN1C=CC2=C1C(=NC=N2)NC3=CC(=C(C=C3)OC4=CC=CC(=C4)C(F)(F)F)Cl)O","ZYQXEVJIFYIBHZ-UHFFFAOYSA-N",11620908,NA,"PDBC02673","800938","Present",NA,NA
+"2674","TAK-632",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAK-632","TAK-632","C1CC1C(=O)NC2=NC3=C(S2)C(=C(C=C3)OC4=CC(=C(C=C4)F)NC(=O)CC5=CC(=CC=C5)C(F)(F)F)C#N","OJFKUJDRGJSAQB-UHFFFAOYSA-N",46209401,NA,"PDBC02674","778809","Present",NA,NA
+"2675","TAK-733",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761215///NSC800940","TAK-733","CN1C2=C(C(=C(C1=O)F)NC3=C(C=C(C=C3)I)F)C(=O)N(C=N2)CC(CO)O","RCLQNICOARASSR-SECBINFHSA-N",24963252,NA,"PDBC02675","761215///800940","Present",NA,NA
+"2676","Tak-901",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762151///NSC803712","TAK-901","CCS(=O)(=O)C1=CC=CC(=C1)C2=CC(=C(C3=C2C4=C(N3)N=CC(=C4)C)C)C(=O)NC5CCN(CC5)C","WKDACQVEJIVHMZ-UHFFFAOYSA-N",16124208,NA,"PDBC02676","762151///803712","Present",NA,NA
+"2677","Tame",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAME","CC1=CC=C(C=C1)S(=O)(=O)NC(CCCN=C(N)N)C(=O)OC","FKMJXALNHKIDOD-LBPRGKRZSA-N",1550286,NA,"PDBC02677",NA,"Present",NA,NA
+"2678","TAS-103 free base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAS-103","CN(C)CCNC1=NC2=C(C=CC(=C2)O)C3=C1C(=O)C4=CC=CC=C43","ROWSTIYZUWEOMM-UHFFFAOYSA-N",135413533,NA,"PDBC02678",NA,"Present",NA,NA
+"2679","TC1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TC1","C1C2C3C4C1C5C2C6C3C4C5(N6CCC7=CC(=CC=C7)F)O","FYGREZKTJIXWIH-APDWONGJSA-N",155903756,NA,"PDBC02679",NA,"Present",NA,NA
+"2680","Zotiraciclib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762673","TG-02","CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1","VXBAJLGYBMTJCY-NSCUHMNNSA-N",16739650,NA,"PDBC02680","762673","Present",NA,NA
+"2681","TG-100572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TG-100572","TG-100572","CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)O)Cl","AQSSMEORRLJZLU-UHFFFAOYSA-N",11712625,NA,"PDBC02681","800949","Present",NA,NA
+"2682","3-(2,4-Diaminopteridin-6-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TG-100713","C1=CC(=CC(=C1)O)C2=CN=C3C(=N2)C(=NC(=N3)N)N","UOORQSPLBHUQDQ-UHFFFAOYSA-N",17751063,NA,"PDBC02682",NA,"Present",NA,NA
+"2683","TG-101209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TG-101209","CC1=CN=C(N=C1NC2=CC(=CC=C2)S(=O)(=O)NC(C)(C)C)NC3=CC=C(C=C3)N4CCN(CC4)C","JVDOKQYTTYUYDV-UHFFFAOYSA-N",16722832,NA,"PDBC02683",NA,"Present",NA,NA
+"2684","Evofosfamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TH-302","CN1C(=CN=C1[N+](=O)[O-])COP(=O)(NCCBr)NCCBr","UGJWRPJDTDGERK-UHFFFAOYSA-N",11984561,NA,"PDBC02684",NA,"Present",NA,NA
+"2685","TMC-353121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TMC-353121","CC1=CC(=C(C=C1)CCCO)NCC2=CC3=C(C=C2)N=C(N3CC4=C(C=CC(=N4)C)O)NCCCN5CCOCC5","DKORMNNYNRPTBJ-UHFFFAOYSA-N",11249932,NA,"PDBC02685",NA,"Present",NA,NA
+"2686","2,3',4,5'-Tetramethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TMS","COC1=CC(=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC","JDBCWSHYEQUBLW-AATRIKPKSA-N",5354004,NA,"PDBC02686",NA,"Present",NA,NA
+"2687","Azeloyl diethyl salicylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TU-2100","CCOC(=O)C1=CC=CC=C1OC(=O)CCCCCCCC(=O)OC2=CC=CC=C2C(=O)OCC","LIBAUACOIKWWKP-UHFFFAOYSA-N",4342838,NA,"PDBC02687",NA,"Present",NA,NA
+"2688","U-0126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"U-0126","C1=CC=C(C(=C1)N)SC(=C(C#N)C(=C(N)SC2=CC=CC=C2N)C#N)N","DVEXZJFMOKTQEZ-JYFOCSDGSA-N",3006531,NA,"PDBC02688",NA,"Present",NA,NA
+"2689","3beta-(2-Diethylaminoethoxy)androst-5-en-17-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"U-18666A","CCN(CC)CCOC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C.Cl","GZFYZYBWLCYBMI-MYZJJQSMSA-N",9954082,NA,"PDBC02689",NA,"Present",NA,NA
+"2690","UH-232-(+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UH-232-(+)","CCCN(CCC)C1CCC2=C(C1C)C=CC=C2OC","BTOJYCTUJJHANF-WMLDXEAASA-N",6604756,NA,"PDBC02690",NA,"Present",NA,NA
+"2691","UK-383367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UK-383367","C1CCC(CC1)CCCC(CC(=O)NO)C2=NC(=NO2)C(=O)N","ARJCBSRIPGJMAD-LLVKDONJSA-N",9818682,NA,"PDBC02691",NA,"Present",NA,NA
+"2692","UNBS-5162",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UNBS-5162","CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)NC(=O)N","WCKZRLOUKYFJDY-UHFFFAOYSA-N",16048966,NA,"PDBC02692",NA,"Present",NA,NA
+"2693","UNC0631",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UNC0631","CC(C)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5CCCCC5)OC)OCCCN6CCCCC6","XFAXSWXKPQWHDW-UHFFFAOYSA-N",53315868,NA,"PDBC02693",NA,"Present",NA,NA
+"2694","UNC2250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UNC2250","CCCCNC1=NC=C(C(=N1)NC2CCC(CC2)O)C3=NC=C(C=C3)CN4CCOCC4","HSYSSKFCQHXOBP-UHFFFAOYSA-N",73211763,NA,"PDBC02694",NA,"Present",NA,NA
+"2695","VER-49009",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VER-49009","CCNC(=O)C1=C(C(=NN1)C2=CC(=C(C=C2O)O)Cl)C3=CC=C(C=C3)OC","HUNAOTXNHVALTN-UHFFFAOYSA-N",4369536,NA,"PDBC02695",NA,"Present",NA,NA
+"2696","VLX600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VLX600","CC1=C2C(=CC=C1)C3=C(N2)N=C(N=N3)NN=C(C)C4=CC=CC=N4","UQOSBPRTQFFUOA-SRZZPIQSSA-N",6410104,NA,"PDBC02696",NA,"Present",NA,NA
+"2697","VS-4718",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VS-4718","VS-4718","CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2C(F)(F)F)NC3=C(C=C(C=C3)N4CCOCC4)OC","IGUBBWJDMLCRIK-UHFFFAOYSA-N",25073775,NA,"PDBC02697","783102","Present",NA,NA
+"2698","VTP-27999",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VTP-27999","CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(C3=CC(=CC=C3)Cl)OCCNC(=O)OC","NXWASIVXQMMPLM-ZXMXYHOLSA-N",16126898,NA,"PDBC02698",NA,"Present",NA,NA
+"2699","1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VU0238429","COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O","CKLGZXFOLMHCMC-UHFFFAOYSA-N",42633508,NA,"PDBC02699",NA,"Present",NA,NA
+"2700","N-(4-Chloro-3-methoxyphenyl)pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VU0361737","COC1=C(C=CC(=C1)NC(=O)C2=CC=CC=N2)Cl","ARYUXFNGXHNNDM-UHFFFAOYSA-N",44191096,NA,"PDBC02700",NA,"Present",NA,NA
+"2701","N-(3-Chlorophenyl)picolinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VU0364770","C1=CC=NC(=C1)C(=O)NC2=CC(=CC=C2)Cl","SUYUTNCKIOLMAJ-UHFFFAOYSA-N",836002,NA,"PDBC02701",NA,"Present",NA,NA
+"2702","Belnacasan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VX-765","CCOC1C(CC(=O)O1)NC(=O)C2CCCN2C(=O)C(C(C)(C)C)NC(=O)C3=CC(=C(C=C3)N)Cl","SJDDOCKBXFJEJB-MOKWFATOSA-N",11398092,NA,"PDBC02702",NA,"Present",NA,NA
+"2703","WAY-170523",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WAY-170523","CC1=CC(=C(C(=C1)C(=O)NO)N(CC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)OCCNC(=O)C4=CC5=CC=CC=C5O4)C","FARMEEAGJWMFSZ-UHFFFAOYSA-N",9830392,NA,"PDBC02703",NA,"Present",NA,NA
+"2704","WAY-600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WAY-600","C1CN(CCC1N2C3=C(C=N2)C(=NC(=N3)C4=CC5=C(C=C4)NC=C5)N6CCOCC6)CC7=CN=CC=C7","FPEIJQLXFHKLJV-UHFFFAOYSA-N",25229526,NA,"PDBC02704",NA,"Present",NA,NA
+"2705","WHI-P154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WHI-P154","COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)O)Br)OC","CBIAKDAYHRWZCU-UHFFFAOYSA-N",3795,NA,"PDBC02705",NA,"Present",NA,NA
+"2706","WP1066",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WP1066","CC(C1=CC=CC=C1)NC(=O)C(=CC2=NC(=CC=C2)Br)C#N","VFUAJMPDXIRPKO-LQELWAHVSA-N",11210478,NA,"PDBC02706",NA,"Present",NA,NA
+"2707","WYE-354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WYE-354","COC(=O)NC1=CC=C(C=C1)C2=NC3=C(C=NN3C4CCN(CC4)C(=O)OC)C(=N2)N5CCOCC5","IMXHGCRIEAKIBU-UHFFFAOYSA-N",44219749,NA,"PDBC02707",NA,"Present",NA,NA
+"2708","WZ-3146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WZ-3146","CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl","APHGZZPEOCCYNO-UHFFFAOYSA-N",44607360,NA,"PDBC02708",NA,"Present",NA,NA
+"2709","Emapunil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XBD173","CCN(CC1=CC=CC=C1)C(=O)CN2C3=NC(=NC=C3N(C2=O)C)C4=CC=CC=C4","NBMBIEOUVBHEBM-UHFFFAOYSA-N",6433109,NA,"PDBC02709",NA,"Present",NA,NA
+"2710","Tesevatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EXEL-7647///NSC784252///Tesevatinib","XL-647","CN1CC2CC(CC2C1)COC3=C(C=C4C(=C3)N=CN=C4NC5=C(C(=C(C=C5)Cl)Cl)F)OC","HVXKQKFEHMGHSL-GOOCMWNKSA-N",10458325,NA,"PDBC02710","776762///784252///800946","Present",NA,NA
+"2711","XL388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XL388","CC1=C(C=CC(=C1F)S(=O)(=O)C)C(=O)N2CCOC3=C(C2)C=C(C=C3)C4=CN=C(C=C4)N","LNFBAYSBVQBKFR-UHFFFAOYSA-N",59604787,NA,"PDBC02711",NA,"Present",NA,NA
+"2712","XL888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XL-888","XL888","CCC(C)NC1=C(C=C(C(=C1)C(=O)NC2CC3CCC(C2)N3C4=NC=C(C=C4)C(=O)C5CC5)C)C(=O)N","LHGWWAFKVCIILM-LAQKFSSHSA-N",57748689,NA,"PDBC02712","772351","Present",NA,NA
+"2713","Y-320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Y-320","CC1=C(C=NN1C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)N4CCC(CC4)N5CCOCC5)C#N","BWZNJVZTAWBIFG-UHFFFAOYSA-N",22227931,NA,"PDBC02713",NA,"Present",NA,NA
+"2714","YM-976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YM-976","CCC1=NC2=C(C=C1)C(=NC(=O)N2CC)C3=CC(=CC=C3)Cl","MNHXYNNKDDXKNP-UHFFFAOYSA-N",6604918,NA,"PDBC02714",NA,"Present",NA,NA
+"2715","DBZ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DBZ",NA,NA,NA,"YO-01027",NA,NA,11454028,NA,"PDBC02715",NA,"Present",NA,NA
+"2716","6-Benzyloxy-4-methoxymethyl-beta-carboline-3-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZK-93423","CCOC(=O)C1=NC=C2C(=C1COC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4","ALBKMJDFBZVHAK-UHFFFAOYSA-N",121926,NA,"PDBC02716",NA,"Present",NA,NA
+"2717","ZK-93426",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZK-93426","CCOC(=O)C1=NC=C2C(=C1C)C3=C(N2)C=CC=C3OC(C)C","VMDUABMKBUKKPG-UHFFFAOYSA-N",115210,NA,"PDBC02717",NA,"Present",NA,NA
+"2718","ZK811752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZK811752",NA,NA,NA,NA,"PDBC02718",NA,"Present",NA,NA
+"2719","ZLN005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZLN005","CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2","LQUNNCQSFFKSSK-UHFFFAOYSA-N",899323,NA,"PDBC02719",NA,"Present",NA,NA
+"2720","ZM-306416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZM-306416","COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C=C(C=C3)Cl)F)OC","YHUIUSRCUKUUQA-UHFFFAOYSA-N",5329006,NA,"PDBC02720",NA,"Present",NA,NA
+"2721","Abemaciclib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-2835219","abemaciclib","CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F","UZWDCWONPYILKI-UHFFFAOYSA-N",46220502,NA,"PDBC02721","768073","Present",NA,NA
+"2722","acesulfame-potassium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acesulfame-potassium","CC1=CC(=NS(=O)(=O)O1)[O-].[K+]","WBZFUFAFFUEMEI-UHFFFAOYSA-M",23683747,NA,"PDBC02722",NA,"Present",NA,NA
+"2723","Acetophenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetophenazine","CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO","WNTYBHLDCKXEOT-UHFFFAOYSA-N",17676,NA,"PDBC02723",NA,"Present",NA,NA
+"2724","Acetylcysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetylcysteine","CC(=O)NC(CS)C(=O)O","PWKSKIMOESPYIA-BYPYZUCNSA-N",12035,NA,"PDBC02724",NA,"Present",NA,NA
+"2725","Acipimox",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acipimox","CC1=CN=C(C=[N+]1[O-])C(=O)O","DJQOOSBJCLSSEY-UHFFFAOYSA-N",5310993,NA,"PDBC02725",NA,"Present",NA,NA
+"2726","Acivicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACIVICIN","acivicin","C1C(ON=C1Cl)C(C(=O)O)N","QAWIHIJWNYOLBE-OKKQSCSOSA-N",294641,NA,"PDBC02726","163501","Present",NA,NA
+"2727","Adapalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"adapalene","COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5","LZCDAPDGXCYOEH-UHFFFAOYSA-N",60164,NA,"PDBC02727",NA,"Present",NA,NA
+"2728","alpha-D-Glucose-6-phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"adaprev","C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O","NBSCHQHZLSJFNQ-DVKNGEFBSA-N",439284,NA,"PDBC02728",NA,"Present",NA,NA
+"2729","Adarotene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"adarotene","C1C2CC3CC1CC(C2)(C3)C4=C(C=CC(=C4)C5=CC=C(C=C5)C=CC(=O)O)O","QAWBIEIZDDIEMW-FPYGCLRLSA-N",9864378,NA,"PDBC02729",NA,"Present",NA,NA
+"2730","Adefovir dipivoxil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"adefovir-dipivoxil","CC(C)(C)C(=O)OCOP(=O)(COCCN1C=NC2=C(N=CN=C21)N)OCOC(=O)C(C)(C)C","WOZSCQDILHKSGG-UHFFFAOYSA-N",60871,NA,"PDBC02730",NA,"Present",NA,NA
+"2731","Fabomotizole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"afobazole","CCOC1=CC2=C(C=C1)N=C(N2)SCCN3CCOCC3","WWNUCVSRRUDYPP-UHFFFAOYSA-N",9862937,NA,"PDBC02731",NA,"Present",NA,NA
+"2732","Ajmaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ajmaline","CCC1C2CC3C4C5(CC(C2C5O)N3C1O)C6=CC=CC=C6N4C","CJDRUOGAGYHKKD-RQBLFBSQSA-N",6100671,NA,"PDBC02732",NA,"Present",NA,NA
+"2733","Alfacalcidol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alfacalcidol",NA,"alfacalcidol","CC(C)CCCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","OFHCOWSQAMBJIW-AVJTYSNKSA-N",5282181,NA,"PDBC02733",NA,"Present",NA,NA
+"2734","Almorexant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"almorexant","CNC(=O)C(C1=CC=CC=C1)N2CCC3=CC(=C(C=C3C2CCC4=CC=C(C=C4)C(F)(F)F)OC)OC","DKMACHNQISHMDN-RPLLCQBOSA-N",23727689,NA,"PDBC02734",NA,"Present",NA,NA
+"2735","Alogliptin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alogliptin","CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCCC(C3)N","ZSBOMTDTBDDKMP-OAHLLOKOSA-N",11450633,NA,"PDBC02735",NA,"Present",NA,NA
+"2736","Ambazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ambazone","C1=CC(=CC=C1NN=C(N)N)N=NC(=S)N","ANZIOUQAFBXNHU-UHFFFAOYSA-N",1549158,NA,"PDBC02736",NA,"Present",NA,NA
+"2737","Amfenac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amfenac","C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2N)CC(=O)O","SOYCMDCMZDHQFP-UHFFFAOYSA-N",2136,NA,"PDBC02737",NA,"Present",NA,NA
+"2738","Aminopurvalanol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aminopurvalanol-a","CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC(=C3)N)Cl","RAMROQQYRRQPDL-HNNXBMFYSA-N",6604931,NA,"PDBC02738",NA,"Present",NA,NA
+"2739","Amisulpride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amisulpride","CCN1CCCC1CNC(=O)C2=CC(=C(C=C2OC)N)S(=O)(=O)CC","NTJOBXMMWNYJFB-UHFFFAOYSA-N",2159,NA,"PDBC02739",NA,"Present",NA,NA
+"2740","Ammonium-lactate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ammonium-lactate","CC(C(=O)O)O.N","RZOBLYBZQXQGFY-HSHFZTNMSA-N",155903690,NA,"PDBC02740",NA,"Present",NA,NA
+"2741","Amonafide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMONAFIDE///NSC758251","amonafide","CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N","UPALIKSFLSVKIS-UHFFFAOYSA-N",50515,NA,"PDBC02741","308847///758251","Present",NA,NA
+"2742","Amsacrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC154948///NSC156303///NSC141549///NSC249992","amsacrine","COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=CC3=NC4=CC=CC=C42","XCPGHVQEEXUHNC-UHFFFAOYSA-N",2179,NA,"PDBC02742","154948///156303///141549///249992","Present",NA,NA
+"2743","Anagrelide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"anagrelide","C1C2=C(C=CC(=C2Cl)Cl)N=C3N1CC(=O)N3","OTBXOEAOVRKTNQ-UHFFFAOYSA-N",135409400,NA,"PDBC02743",NA,"Present",NA,NA
+"2744","Anguidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"anguidin///NSC177378","anguidine","CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C","AUGQEEXBDZWUJY-UHFFFAOYSA-N",422111,NA,"PDBC02744","141537///177378","Present",NA,NA
+"2745","Apatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Apatinib","apatinib","C1CCC(C1)(C#N)C2=CC=C(C=C2)NC(=O)C3=C(N=CC=C3)NCC4=CC=NC=C4","WPEWQEMJFLWMLV-UHFFFAOYSA-N",11315474,NA,"PDBC02745","772886","Present",NA,NA
+"2746","Aphidicolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aphidicolin","aphidicolin","CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(CO)O)(C)CO)O","NOFOAYPPHIUXJR-UHFFFAOYSA-N",2210,NA,"PDBC02746","234714","Present",NA,NA
+"2747","Arctigenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"arctigenin","COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC","NQWVSMVXKMHKTF-JKSUJKDBSA-N",64981,NA,"PDBC02747",NA,"Present",NA,NA
+"2748","Arcyriaflavin a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"arcyriaflavin-a","C1=CC=C2C(=C1)C3=C4C(=C5C6=CC=CC=C6NC5=C3N2)C(=O)NC4=O","KAJXOWFGKYKMMZ-UHFFFAOYSA-N",5327723,NA,"PDBC02748",NA,"Present",NA,NA
+"2749","Aripiprazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aripiprazole","C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl","CEUORZQYGODEFX-UHFFFAOYSA-N",60795,NA,"PDBC02749",NA,"Present",NA,NA
+"2750","Artesunate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"artesunate","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C","FIHJKUPKCHIPAT-AHIGJZGOSA-N",6917864,NA,"PDBC02750",NA,"Present",NA,NA
+"2751","N,N-Dimethylarginine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"asymmetrical-dimethylarginine","CN(C)C(=NCCCC(C(=O)O)N)N","YDGMGEXADBMOMJ-LURJTMIESA-N",123831,NA,"PDBC02751",NA,"Present",NA,NA
+"2752","Atenolol-(+/-)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"atenolol-(+/-)",NA,NA,NA,NA,"PDBC02752",NA,"Present",NA,NA
+"2753","Atipamezole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"atipamezole","CCC1(CC2=CC=CC=C2C1)C3=CN=CN3","HSWPZIDYAHLZDD-UHFFFAOYSA-N",71310,NA,"PDBC02753",NA,"Present",NA,NA
+"2754","Atiprimod",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"atiprimod","CCCC1(CCC2(CC1)CCN(C2)CCCN(CC)CC)CCC","SERHTTSLBVGRBY-UHFFFAOYSA-N",129869,NA,"PDBC02754",NA,"Present",NA,NA
+"2755","aurora-a-inhibitor-i",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aurora-a-inhibitor-i","CCN1CCN(CC1)C(=O)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5Cl)F","AKSIZPIFQAYJGF-UHFFFAOYSA-N",44139710,NA,"PDBC02755",NA,"Present",NA,NA
+"2756","Avanafil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"avanafil","COC1=C(C=C(C=C1)CNC2=NC(=NC=C2C(=O)NCC3=NC=CC=N3)N4CCCC4CO)Cl","WEAJZXNPAWBCOA-INIZCTEOSA-N",9869929,NA,"PDBC02756",NA,"Present",NA,NA
+"2757","Elaiophylin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elaiophylin","azalomycin-b","CCC1C(OC(CC1OC2CC(C(C(O2)C)O)O)(C(C)C(C(C)C3C(C=CC=CC(=O)OC(C(C=CC=CC(=O)O3)C)C(C)C(C(C)C4(CC(C(C(O4)C)CC)OC5CC(C(C(O5)C)O)O)O)O)C)O)O)C","OSERMIPXNLXAPD-BMJPDPRUSA-N",155816671,NA,"PDBC02757","789944","Present",NA,NA
+"2758","Azilsartan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azilsartan","CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NOC(=O)N5)C(=O)O","KGSXMPPBFPAXLY-UHFFFAOYSA-N",135415867,NA,"PDBC02758",NA,"Present",NA,NA
+"2759","Azithromycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azithromycin",NA,"azithromycin","CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O","MQTOSJVFKKJCRP-BICOPXKESA-N",447043,NA,"PDBC02759",NA,"Present",NA,NA
+"2760","Azodicarbonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azodicarbonamide","C(=O)(N)N=NC(=O)N","XOZUGNYVDXMRKW-AATRIKPKSA-N",5462814,NA,"PDBC02760",NA,"Present",NA,NA
+"2761","2-Nitroimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azomycin-(2-nitroimidazole)","C1=CN=C(N1)[N+](=O)[O-]","YZEUHQHUFTYLPH-UHFFFAOYSA-N",10701,NA,"PDBC02761",NA,"Present",NA,NA
+"2762","Bafetinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788186///NSC799354","bafetinib","CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCC(C3)N(C)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CN=C5","ZGBAJMQHJDFTQJ-DEOSSOPVSA-N",11387605,NA,"PDBC02762","788186///799354","Present",NA,NA
+"2763","Baicalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"baicalin","C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O","IKIIZLYTISPENI-ZFORQUDYSA-N",64982,NA,"PDBC02763",NA,"Present",NA,NA
+"2764","Balapiravir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"balapiravir","CC(C)C(=O)OCC1(C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)C(C)C)OC(=O)C(C)C)N=[N+]=[N-]","VKXWOLCNTHXCLF-DXEZIKHYSA-N",11691726,NA,"PDBC02764",NA,"Present",NA,NA
+"2765","Azd-1152hqpa",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Barasertib_HQPA","barasertib-HQPA","CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO","QYZOGCMHVIGURT-UHFFFAOYSA-N",16007391,NA,"PDBC02765","799356","Present",NA,NA
+"2766","Baricitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"baricitinib","CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3","XUZMWHLSFXCVMG-UHFFFAOYSA-N",44205240,NA,"PDBC02766",NA,"Present",NA,NA
+"2767","Beclomethasone dipropionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"beclomethasone-dipropionate","CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)O)C)C)OC(=O)CC","KUVIULQEHSCUHY-XYWKZLDCSA-N",21700,NA,"PDBC02767",NA,"Present",NA,NA
+"2768","Bekanamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bekanamycin","C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)N)N","SKKLOUVUUNMCJE-FQSMHNGLSA-N",439318,NA,"PDBC02768",NA,"Present",NA,NA
+"2769","Bentazepam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bentazepam","C1CCC2=C(C1)C3=C(S2)NC(=O)CN=C3C4=CC=CC=C4","AIZFEOPQVZBNGH-UHFFFAOYSA-N",135412795,NA,"PDBC02769",NA,"Present",NA,NA
+"2770","Benzethonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzethonium","CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2","SIYLLGKDQZGJHK-UHFFFAOYSA-N",2335,NA,"PDBC02770",NA,"Present",NA,NA
+"2771","Cetalkonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzyldimethylhexadecylammonium","CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1","QDYLMAYUEZBUFO-UHFFFAOYSA-N",31203,NA,"PDBC02771",NA,"Present",NA,NA
+"2772","beta-Lapachone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629749///NSC813862","beta-lapachone","CC1(CCC2=C(O1)C3=CC=CC=C3C(=O)C2=O)C","QZPQTZZNNJUOLS-UHFFFAOYSA-N",3885,NA,"PDBC02772","629749///813862","Present",NA,NA
+"2773","2-Naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"beta-naphthol","C1=CC=C2C=C(C=CC2=C1)O","JWAZRIHNYRIHIV-UHFFFAOYSA-N",8663,NA,"PDBC02773",NA,"Present",NA,NA
+"2774","Betamethasone dipropionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"betamethasone-dipropionate","CCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)OC(=O)CC","CIWBQSYVNNPZIQ-XYWKZLDCSA-N",21800,NA,"PDBC02774",NA,"Present",NA,NA
+"2775","Bifemelane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bifemelane","CNCCCCOC1=CC=CC=C1CC2=CC=CC=C2","QSQQPMHPCBLLGX-UHFFFAOYSA-N",2377,NA,"PDBC02775",NA,"Present",NA,NA
+"2776","Bindarit",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bindarit","CC(C)(C(=O)O)OCC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3","MTHORRSSURHQPZ-UHFFFAOYSA-N",71354,NA,"PDBC02776",NA,"Present",NA,NA
+"2777","Bis(maltolato)oxovanadium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(maltolato)oxovanadium(IV)","CC1=C(C(=O)C=CO1)[O-].CC1=C(C(=O)C=CO1)[O-].O=[V+2]","XUOLEICXAPEOSI-UHFFFAOYSA-L",3035454,NA,"PDBC02777",NA,"Present",NA,NA
+"2778","Bisindolylmaleimide IX",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767237","bisindolylmaleimide-ix","CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCSC(=N)N","DSXXEELGXBCYNQ-UHFFFAOYSA-N",5083,NA,"PDBC02778","767237","Present",NA,NA
+"2779","Bitopertin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bitopertin","CC(C(F)(F)F)OC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N2CCN(CC2)C3=C(C=C(C=N3)C(F)(F)F)F","YUUGYIUSCYNSQR-LBPRGKRZSA-N",24946690,NA,"PDBC02779",NA,"Present",NA,NA
+"2780","Bosentan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bosentan","CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCO)OC4=CC=CC=C4OC","GJPICJJJRGTNOD-UHFFFAOYSA-N",104865,NA,"PDBC02780",NA,"Present",NA,NA
+"2781","Brequinar",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brequinar","brequinar","CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4=CC=CC=C4F)C(=O)O.[Na+]","PZOHOALJQOFNTB-UHFFFAOYSA-N",23223059,NA,"PDBC02781","368390","Present",NA,NA
+"2782","Brigatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787457","brigatinib","CN1CCN(CC1)C2CCN(CC2)C3=CC(=C(C=C3)NC4=NC=C(C(=N4)NC5=CC=CC=C5P(=O)(C)C)Cl)OC","AILRADAXUVEEIR-UHFFFAOYSA-N",68165256,NA,"PDBC02782","787457","Present",NA,NA
+"2783","Brilliant green",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brilliant Green","brilliant-green","CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3.OS(=O)(=O)[O-]","NNBFNNNWANBMTI-UHFFFAOYSA-M",12449,NA,"PDBC02783","5011","Present",NA,NA
+"2784","Brivaracetam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"brivaracetam","CCCC1CC(=O)N(C1)C(CC)C(=O)N","MSYKRHVOOPPJKU-BDAKNGLRSA-N",9837243,NA,"PDBC02784",NA,"Present",NA,NA
+"2785","Bromosporine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768126","bromosporine","CCOC(=O)NC1=CC(=NN2C1=NN=C2C)C3=CC(=C(C=C3)C)NS(=O)(=O)C","UYBRROMMFMPJAN-UHFFFAOYSA-N",72943187,NA,"PDBC02785","768126","Present",NA,NA
+"2786","Broxaldine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"broxaldine","CC1=NC2=C(C=C1)C(=CC(=C2OC(=O)C3=CC=CC=C3)Br)Br","IJTPLVAAROHGGB-UHFFFAOYSA-N",77262,NA,"PDBC02786",NA,"Present",NA,NA
+"2787","Broxyquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BROXYQUINOLINE","broxyquinoline","C1=CC2=C(C(=C(C=C2Br)Br)O)N=C1","ZDASUJMDVPTNTF-UHFFFAOYSA-N",2453,NA,"PDBC02787","757389","Present",NA,NA
+"2788","Bruceantin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRUCEANTIN","bruceantin","CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C(C)C)(OC5)C(=O)OC)O)O)C)O","IRQXZTBHNKVIRL-GOTQHHPNSA-N",5281304,NA,"PDBC02788","165563","Present",NA,NA
+"2789","Nylidrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"buphenine","CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O","PTGXAUBQBSGPKF-UHFFFAOYSA-N",4567,NA,"PDBC02789",NA,"Present",NA,NA
+"2790","l-Buthionine sulfoximine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Buthionine sulphoximine","buthionine-sulfoximine","CCCCS(=N)(=O)CCC(C(=O)O)N","KJQFBVYMGADDTQ-CVSPRKDYSA-N",119565,NA,"PDBC02790","326231","Present",NA,NA
+"2791","Butylscopolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"butylscopolamine-bromide","CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C","YBCNXCRZPWQOBR-MWGADRMYSA-N",160883,NA,"PDBC02791",NA,"Present",NA,NA
+"2792","Caffeic acid phenethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"caffeic-acid-phenethyl-ester","C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)O","SWUARLUWKZWEBQ-VQHVLOKHSA-N",5281787,NA,"PDBC02792",NA,"Present",NA,NA
+"2793","Calcitriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"calcitriol","CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","GMRQFYUYWCNGIN-NKMMMXOESA-N",5280453,NA,"PDBC02793",NA,"Present",NA,NA
+"2794","Camylofine-chlorhydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"camylofine-chlorhydrate","CCN(CC)CCNC(C1=CC=CC=C1)C(=O)OCCC(C)C","RYOOHIUJEJZCFT-GOSISDBHSA-N",51590030,NA,"PDBC02794",NA,"Present",NA,NA
+"2795","Candesartan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"candesartan","CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O","HTQMVQVXFRQIKW-UHFFFAOYSA-N",2541,NA,"PDBC02795",NA,"Present",NA,NA
+"2796","Canrenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"canrenone","CC12CCC(=O)C=C1C=CC3C2CCC4(C3CCC45CCC(=O)O5)C","UJVLDDZCTMKXJK-WNHSNXHDSA-N",13789,NA,"PDBC02796",NA,"Present",NA,NA
+"2797","Captamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"captamine","CN(C)CCS","DENMGZODXQRYAR-UHFFFAOYSA-N",25799,NA,"PDBC02797",NA,"Present",NA,NA
+"2798","Carboplatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carboplatin","carboplatin","C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]","VSRXQHXAPYXROS-UHFFFAOYSA-N",426756,NA,"PDBC02798","241240","Present",NA,NA
+"2799","Carboxyamidotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carboxyamidotriazole","carboxyamidotriazole","C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2Cl)CN3C(=C(N=N3)C(=O)N)N)Cl)Cl","WNRZHQBJSXRYJK-UHFFFAOYSA-N",108144,NA,"PDBC02799","609974","Present",NA,NA
+"2800","6,6'-Dithiodinicotinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cpds","carboxypyridine-disulfide","C1=CC(=NC=C1C(=O)O)SSC2=NC=C(C=C2)C(=O)O","GSASOFRDSIKDSN-UHFFFAOYSA-N",85040,NA,"PDBC02800","147758","Present",NA,NA
+"2801","Cariporide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cariporide","CC(C)C1=C(C=C(C=C1)C(=O)N=C(N)N)S(=O)(=O)C","IWXNYAIICFKCTM-UHFFFAOYSA-N",151172,NA,"PDBC02801",NA,"Present",NA,NA
+"2802","Carmofur",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carmofur","carmofur","CCCCCCNC(=O)N1C=C(C(=O)NC1=O)F","AOCCBINRVIKJHY-UHFFFAOYSA-N",2577,NA,"PDBC02802","758963","Present",NA,NA
+"2803","Carvedilol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"carvedilol","COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O","OGHNVEJMJSYVRP-UHFFFAOYSA-N",2585,NA,"PDBC02803",NA,"Present",NA,NA
+"2804","Cebranopadol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cebranopadol","CN(C)C1(CCC2(CC1)C3=C(CCO2)C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5","CSMVOZKEWSOFER-UHFFFAOYSA-N",11848225,NA,"PDBC02804",NA,"Present",NA,NA
+"2805","Cefdinir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cefdinir","C=CC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O","RTXOFQZKPXMALH-GHXIOONMSA-N",6915944,NA,"PDBC02805",NA,"Present",NA,NA
+"2806","Cefditorin pivoxil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cefditoren-pivoxil","CC1=C(SC=N1)C=CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)OCOC(=O)C(C)(C)C","AFZFFLVORLEPPO-ITQWOMERSA-N",6917926,NA,"PDBC02806",NA,"Present",NA,NA
+"2807","Cefpiramide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cefpiramide","CC1=CC(=O)C(=CN1)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)O","PWAUCHMQEXVFJR-PMAPCBKXSA-N",636405,NA,"PDBC02807",NA,"Present",NA,NA
+"2808","Cephalomannine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cephalomannine","CC=C(C)C(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O","DBXFAPJCZABTDR-WBYYIXQISA-N",6436208,NA,"PDBC02808",NA,"Present",NA,NA
+"2809","Cetrimonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cetrimonium","CCCCCCCCCCCCCCCC[N+](C)(C)C","RLGQACBPNDBWTB-UHFFFAOYSA-N",2681,NA,"PDBC02809",NA,"Present",NA,NA
+"2810","Cetylpyridinium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cetylpyridinium","CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1","NEUSVAOJNUQRTM-UHFFFAOYSA-N",2683,NA,"PDBC02810",NA,"Present",NA,NA
+"2811","Chidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chidamide","C1=CC(=CN=C1)C=CC(=O)NCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)F)N","WXHHICFWKXDFOW-BJMVGYQFSA-N",9800555,NA,"PDBC02811",NA,"Present",NA,NA
+"2812","Chloramphenicol palmitate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chloramphenicol-palmitate","CCCCCCCCCCCCCCCC(=O)OCC(C(C1=CC=C(C=C1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl","PXKHGMGELZGJQE-ILBGXUMGSA-N",443382,NA,"PDBC02812",NA,"Present",NA,NA
+"2813","Chlorindanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chlorindanol","C1CC2=C(C=CC(=C2C1)Cl)O","ATAJVFBUUIBIEO-UHFFFAOYSA-N",8961,NA,"PDBC02813",NA,"Present",NA,NA
+"2814","Chlormidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chlormidazole","CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)Cl","WNAQOLSMVPFGTE-UHFFFAOYSA-N",71821,NA,"PDBC02814",NA,"Present",NA,NA
+"2815","Chloroxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chloroxine (usan)","chloroxine","C1=CC2=C(C(=C(C=C2Cl)Cl)O)N=C1","WDFKMLRRRCGAKS-UHFFFAOYSA-N",2722,NA,"PDBC02815","758398","Present",NA,NA
+"2816","Chlorpyrifos",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chlorpyrifos","CCOP(=S)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl","SBPBAQFWLVIOKP-UHFFFAOYSA-N",2730,NA,"PDBC02816",NA,"Present",NA,NA
+"2817","Chlorquinaldol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chlorquinaldol","CC1=NC2=C(C=C1)C(=CC(=C2O)Cl)Cl","GPTXWRGISTZRIO-UHFFFAOYSA-N",6301,NA,"PDBC02817",NA,"Present",NA,NA
+"2818","Chromocarb",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chromocarb","C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)O","RVMGXWBCQGAWBR-UHFFFAOYSA-N",2741,NA,"PDBC02818",NA,"Present",NA,NA
+"2819","Cibenzoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cibenzoline","C1CN=C(N1)C2CC2(C3=CC=CC=C3)C4=CC=CC=C4","IPOBOOXFSRWSHL-UHFFFAOYSA-N",2747,NA,"PDBC02819",NA,"Present",NA,NA
+"2820","Ciclesonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ciclesonide","CC(C)C(=O)OCC(=O)C12C(CC3C1(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)OC(O2)C6CCCCC6","LUKZNWIVRBCLON-GXOBDPJESA-N",6918155,NA,"PDBC02820",NA,"Present",NA,NA
+"2821","Cidofovir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cidofovir","C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O","VWFCHDSQECPREK-LURJTMIESA-N",60613,NA,"PDBC02821",NA,"Present",NA,NA
+"2822","Cilostamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cilostamide","CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)NC(=O)C=C3","UIAYVIIHMORPSJ-UHFFFAOYSA-N",2753,NA,"PDBC02822",NA,"Present",NA,NA
+"2823","Cinacalcet",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cinacalcet","CC(C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F","VDHAWDNDOKGFTD-MRXNPFEDSA-N",156419,NA,"PDBC02823",NA,"Present",NA,NA
+"2824","Cinalukast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cinalukast","CCC(CC)(CC(=O)NC1=CC=CC(=C1)C=CC2=NC(=CS2)C3CCC3)C(=O)O","BZMKNPGKXJAIDV-VAWYXSNFSA-N",6436135,NA,"PDBC02824",NA,"Present",NA,NA
+"2825","Cinnarazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cinnarazine","C1CN(CCN1C=CCC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4","SSKFWBSXNIWCBH-VCHYOVAHSA-N",5353532,NA,"PDBC02825",NA,"Present",NA,NA
+"2826","Cinromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cinromide","CCNC(=O)C=CC1=CC(=CC=C1)Br","LDCXGZCEMNMWIL-VOTSOKGWSA-N",688145,NA,"PDBC02826",NA,"Present",NA,NA
+"2827","Clindamycin phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clindamycin-phosphate","CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)OP(=O)(O)O)O)O)C(C)Cl","UFUVLHLTWXBHGZ-MGZQPHGTSA-N",443385,NA,"PDBC02827",NA,"Present",NA,NA
+"2828","Clobetasol propionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clobetasol-propionate","CCC(=O)OC1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)C(=O)CCl","CBGUOGMQLZIXBE-XGQKBEPLSA-N",32798,NA,"PDBC02828",NA,"Present",NA,NA
+"2829","Clobutinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clobutinol","CC(CN(C)C)C(C)(CC1=CC=C(C=C1)Cl)O","KVHHQGIIZCJATJ-UHFFFAOYSA-N",26937,NA,"PDBC02829",NA,"Present",NA,NA
+"2830","Clocortolone pivalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clocortolone-pivalate","CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1C(=O)COC(=O)C(C)(C)C)C)O)Cl)C)F","SXYZQZLHAIHKKY-GSTUPEFVSA-N",5282493,NA,"PDBC02830",NA,"Present",NA,NA
+"2831","Clofoctol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CLOFOCTOL","clofoctol","CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)CC2=C(C=C(C=C2)Cl)Cl","HQVZOORKDNCGCK-UHFFFAOYSA-N",2799,NA,"PDBC02831","758389","Present",NA,NA
+"2832","Clomifene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clomifene","CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3","GKIRPKYJQBWNGO-UHFFFAOYSA-N",2800,NA,"PDBC02832",NA,"Present",NA,NA
+"2833","Clonazepam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clonazepam","C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl","DGBIGWXXNGSACT-UHFFFAOYSA-N",2802,NA,"PDBC02833",NA,"Present",NA,NA
+"2834","Cobicistat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cobicistat","CC(C)C1=NC(=CS1)CN(C)C(=O)NC(CCN2CCOCC2)C(=O)NC(CCC(CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)CC5=CC=CC=C5","ZCIGNRJZKPOIKD-CQXVEOKZSA-N",25151504,NA,"PDBC02834",NA,"Present",NA,NA
+"2835","Colforsin daropate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"colforsin-daproate","CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)OC(=O)CCN(C)C","RSOZZQTUMVBTMR-XGUNBQNXSA-N",444029,NA,"PDBC02835",NA,"Present",NA,NA
+"2836","1,2-Dipalmitoyl-sn-glycero-3-phosphocholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"colfosceril-palmitate","CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC","KILNVBDSWZSGLL-KXQOOQHDSA-O",160339,NA,"PDBC02836",NA,"Present",NA,NA
+"2837","Colistin B sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"colistin-b-sulfate","CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O.CC(C)CCCCC(=O)NC(CCN)C(=O)NC(C(C)O)C(=O)NC(CCN)C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCN)CC(C)C)CC(C)C)CCN)CCN)C(C)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O","ARWLUFSLVSQRNF-UHFFFAOYSA-N",139031463,NA,"PDBC02837",NA,"Present",NA,NA
+"2838","Combretastatin A4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Combretastatin A4","combretastatin-A-4","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)O","HVXBOLULGPECHP-WAYWQWQTSA-N",5351344,NA,"PDBC02838","613729","Present",NA,NA
+"2839","Costunolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"costunolide","CC1=CCCC(=CC2C(CC1)C(=C)C(=O)O2)C","HRYLQFBHBWLLLL-AHNJNIBGSA-N",5281437,NA,"PDBC02839",NA,"Present",NA,NA
+"2840","Creatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"creatine","CN(CC(=O)O)C(=N)N","CVSVTCORWBXHQV-UHFFFAOYSA-N",586,NA,"PDBC02840",NA,"Present",NA,NA
+"2841","Crenolanib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crenolanib","Crenolanib (CP-868596)",NA,"Crenolanib","crenolanib",NA,NA,10366136,NA,"PDBC02841","800079///763526","Present",NA,NA
+"2842","(S)-Crizotinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"crizotinib-(S)","CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N","KTEIFNKAUNYNJU-LBPRGKRZSA-N",56671814,NA,"PDBC02842",NA,"Present",NA,NA
+"2843","Levcromakalim",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cromakalim","CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3CCCC3=O)O)C","TVZCRIROJQEVOT-CABCVRRESA-N",93504,NA,"PDBC02843",NA,"Present",NA,NA
+"2844","Gentian violet cation",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"crystal-violet","CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C","LGLFFNDHMLKUMI-UHFFFAOYSA-N",3468,NA,"PDBC02844",NA,"Present",NA,NA
+"2845","Ancitabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclocytidine","C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N","BBDAGFIXKZCXAH-CCXZUQQUSA-N",25051,NA,"PDBC02845",NA,"Present",NA,NA
+"2846","Cyqualon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Beveno///Cyclovalone","cyclovalone","COC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)OC)C2=O)O","DHKKONBXGAAFTB-OTYYAQKOSA-N",1550234,NA,"PDBC02846","26727///652893","Present",NA,NA
+"2847","Cyclovirobuxin-d",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclovirobuxin-d",NA,NA,NA,NA,"PDBC02847",NA,"Present",NA,NA
+"2848","Cyproterone acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyproterone-acetate","CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C5CC5C34C)Cl)C)OC(=O)C","UWFYSQMTEOIJJG-FDTZYFLXSA-N",9880,NA,"PDBC02848",NA,"Present",NA,NA
+"2849","Cyromazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyromazine","C1CC1NC2=NC(=NC(=N2)N)N","LVQDKIWDGQRHTE-UHFFFAOYSA-N",47866,NA,"PDBC02849",NA,"Present",NA,NA
+"2850","Cytochlor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cytochlor","C1C(C(OC1N2C=C(C(=NC2=O)N)Cl)CO)O","NGGRGTWYSXYVDK-RRKCRQDMSA-N",100802,NA,"PDBC02850",NA,"Present",NA,NA
+"2851","Daclatasvir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"daclatasvir","CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC","FKRSSPOQAMALKA-CUPIEXAXSA-N",25154714,NA,"PDBC02851",NA,"Present",NA,NA
+"2852","Danusertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784415///NSC800086","danusertib","CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC4=C3CN(C4)C(=O)C(C5=CC=CC=C5)OC","XKFTZKGMDDZMJI-HSZRJFAPSA-N",11442891,NA,"PDBC02852","784415///800086","Present",NA,NA
+"2853","Dapivirine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dapivirine","CC1=CC(=C(C(=C1)C)NC2=NC(=NC=C2)NC3=CC=C(C=C3)C#N)C","ILAYIAGXTHKHNT-UHFFFAOYSA-N",214347,NA,"PDBC02853",NA,"Present",NA,NA
+"2854","Darapladib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"darapladib","CCN(CC)CCN(CC1=CC=C(C=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)CN3C4=C(CCC4)C(=O)N=C3SCC5=CC=C(C=C5)F","WDPFJWLDPVQCAJ-UHFFFAOYSA-N",9939609,NA,"PDBC02854",NA,"Present",NA,NA
+"2855","Darifenacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"darifenacin","C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5","HXGBXQDTNZMWGS-RUZDIDTESA-N",444031,NA,"PDBC02855",NA,"Present",NA,NA
+"2856","Defactinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778364///NSC782549///NSC800089","defactinib","CNC(=O)C1=CC=C(C=C1)NC2=NC=C(C(=N2)NCC3=NC=CN=C3N(C)S(=O)(=O)C)C(F)(F)F","FWLMVFUGMHIOAA-UHFFFAOYSA-N",25117126,NA,"PDBC02856","778364///782549///800089","Present",NA,NA
+"2857","Deferasirox",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deferasirox","C1=CC=C(C(=C1)C2=NN(C(=N2)C3=CC=CC=C3O)C4=CC=C(C=C4)C(=O)O)O","BOFQWVMAQOTZIW-UHFFFAOYSA-N",214348,NA,"PDBC02857",NA,"Present",NA,NA
+"2858","Deflazacort",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deflazacort","CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)COC(=O)C","FBHSPRKOSMHSIF-GRMWVWQJSA-N",189821,NA,"PDBC02858",NA,"Present",NA,NA
+"2859","Delanzomib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Delanzomib","delanzomib","delanzomib","B(C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C1=CC=CC(=N1)C2=CC=CC=C2)(O)O","SJFBTAPEPRWNKH-CCKFTAQKSA-N",24800541,NA,"PDBC02859","764334","Present",NA,NA
+"2860","Demecarium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"demecarium","CN(CCCCCCCCCCN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C","RWZVPVOZTJJMNU-UHFFFAOYSA-N",5966,NA,"PDBC02860",NA,"Present",NA,NA
+"2861","Deoxycorticosterone acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deoxycorticosterone-acetate","CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C","VPGRYOFKCNULNK-ACXQXYJUSA-N",5952,NA,"PDBC02861",NA,"Present",NA,NA
+"2862","Dequalinium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dequalinium","CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C","PCSWXVJAIHCTMO-UHFFFAOYSA-P",2993,NA,"PDBC02862",NA,"Present",NA,NA
+"2863","Desonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"desonide","CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4C(CC3(C2(O1)C(=O)CO)C)O)C)C","WBGKWQHBNHJJPZ-LECWWXJVSA-N",5311066,NA,"PDBC02863",NA,"Present",NA,NA
+"2864","Dexamethasone acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dexamethasone-acetate","CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C)O)C)O)F)C","AKUJBENLRBOFTD-RPRRAYFGSA-N",236702,NA,"PDBC02864",NA,"Present",NA,NA
+"2865","Dianhydrogalactitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dianhydrogalactitol","dianhydrogalactitol","C1C(O1)C(C(C2CO2)O)O","AAFJXZWCNVJTMK-UHFFFAOYSA-N",31789,NA,"PDBC02865","132313","Present",NA,NA
+"2866","Diaveridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diaveridine","COC1=C(C=C(C=C1)CC2=CN=C(N=C2N)N)OC","LDBTVAXGKYIFHO-UHFFFAOYSA-N",21453,NA,"PDBC02866",NA,"Present",NA,NA
+"2867","Dichlorisone acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dichlorisone-acetate","CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)Cl)Cl)C)O","YNNURTVKPVJVEI-GSLJADNHSA-N",5388959,NA,"PDBC02867",NA,"Present",NA,NA
+"2868","Dichloroacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dichloroacetate","C(C(=O)[O-])(Cl)Cl","JXTHNDFMNIQAHM-UHFFFAOYSA-M",25975,NA,"PDBC02868",NA,"Present",NA,NA
+"2869","Dichlorvos",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dichlorvos","COP(=O)(OC)OC=C(Cl)Cl","OEBRKCOSUFCWJD-UHFFFAOYSA-N",3039,NA,"PDBC02869",NA,"Present",NA,NA
+"2870","Diclazuril",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diclazuril","C1=CC(=CC=C1C(C#N)C2=C(C=C(C=C2Cl)N3C(=O)NC(=O)C=N3)Cl)Cl","ZSZFUDFOPOMEET-UHFFFAOYSA-N",456389,NA,"PDBC02870",NA,"Present",NA,NA
+"2871","Dienogest",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dienogest","CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(CC#N)O","AZFLJNIPTRTECV-FUMNGEBKSA-N",68861,NA,"PDBC02871",NA,"Present",NA,NA
+"2872","Difluprednate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"difluprednate","CCCC(=O)OC1(CCC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C(=O)COC(=O)C","WYQPLTPSGFELIB-JTQPXKBDSA-N",443936,NA,"PDBC02872",NA,"Present",NA,NA
+"2873","Digitoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"digitoxin","CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O","WDJUZGPOPHTGOT-XUDUSOBPSA-N",441207,NA,"PDBC02873",NA,"Present",NA,NA
+"2874","dihydroartemisinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dihydroartemisinin","CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C","BJDCWCLMFKKGEE-ISOSDAIHSA-N",3000518,NA,"PDBC02874",NA,"Present",NA,NA
+"2875","Dihydromyricetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dihydromyricetin","C1=C(C=C(C(=C1O)O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O","KJXSIXMJHKAJOD-LSDHHAIUSA-N",161557,NA,"PDBC02875",NA,"Present",NA,NA
+"2876","Dioscin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dioscin","CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1","VNONINPVFQTJOC-ZGXDEBHDSA-N",119245,NA,"PDBC02876",NA,"Present",NA,NA
+"2877","Diphemanil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diphemanil","C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C","LCTZPQRFOZKZNK-UHFFFAOYSA-N",6127,NA,"PDBC02877",NA,"Present",NA,NA
+"2878","Diphenyleneiodonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diphenyleneiodonium","C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2","QFXKXRXFBRLLPQ-UHFFFAOYSA-N",3101,NA,"PDBC02878",NA,"Present",NA,NA
+"2879","Dofetilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dofetilide;A-9055","dofetilide","CN(CCC1=CC=C(C=C1)NS(=O)(=O)C)CCOC2=CC=C(C=C2)NS(=O)(=O)C","IXTMWRCNAAVVAI-UHFFFAOYSA-N",71329,NA,"PDBC02879","786034","Present",NA,NA
+"2880","Dolastatin 10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dolastatin-10","CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C","OFDNQWIFNXBECV-VFSYNPLYSA-N",9810929,NA,"PDBC02880",NA,"Present",NA,NA
+"2881","Dolutegravir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dolutegravir","CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)O","RHWKPHLQXYSBKR-BMIGLBTASA-N",54726191,NA,"PDBC02881",NA,"Present",NA,NA
+"2882","Domiphen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"domiphen","CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=CC=C1","YXUPZGKORWTXID-UHFFFAOYSA-N",3149,NA,"PDBC02882",NA,"Present",NA,NA
+"2883","Doxercalciferol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"doxercalciferol","CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","HKXBNHCUPKIYDM-CGMHZMFXSA-N",5281107,NA,"PDBC02883",NA,"Present",NA,NA
+"2884","Doxifluridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"doxifluridine","CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O)O","ZWAOHEXOSAUJHY-ZIYNGMLESA-N",18343,NA,"PDBC02884",NA,"Present",NA,NA
+"2885","Dronedarone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dronedarone","CCCCC1=C(C2=C(O1)C=CC(=C2)NS(=O)(=O)C)C(=O)C3=CC=C(C=C3)OCCCN(CCCC)CCCC","ZQTNQVWKHCQYLQ-UHFFFAOYSA-N",208898,NA,"PDBC02885",NA,"Present",NA,NA
+"2886","Drospirenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"drospirenone","CC12CCC(=O)C=C1C3CC3C4C2CCC5(C4C6CC6C57CCC(=O)O7)C","METQSPRSQINEEU-HXCATZOESA-N",68873,NA,"PDBC02886",NA,"Present",NA,NA
+"2887","Ebastine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ebastine","CC(C)(C)C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)OC(C3=CC=CC=C3)C4=CC=CC=C4","MJJALKDDGIKVBE-UHFFFAOYSA-N",3191,NA,"PDBC02887",NA,"Present",NA,NA
+"2888","Ecamsule-triethanolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ecamsule-triethanolamine","CC1(C2CCC1(C(=O)C2=CC3=CC=C(C=C3)C=C4C5CCC(C4=O)(C5(C)C)CS(=O)(=O)O)CS(=O)(=O)O)C","HEAHZSUCFKFERC-MPPVQRIUSA-N",131634633,NA,"PDBC02888",NA,"Present",NA,NA
+"2889","Echinomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"echinomycin///NSC526417","echinomycin","CC1C(=O)N(C2CSC(C(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)SC)C","AUJXLBOHYWTPFV-UHFFFAOYSA-N",3197,NA,"PDBC02889","13502///526417","Present",NA,NA
+"2890","Efonidipine-Monoethanolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"efonidipine-monoethanolate",NA,NA,NA,NA,"PDBC02890",NA,"Present",NA,NA
+"2891","Elacridar",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"elacridar","COC1=CC=CC2=C1NC3=C(C2=O)C=CC=C3C(=O)NC4=CC=C(C=C4)CCN5CCC6=CC(=C(C=C6C5)OC)OC","OSFCMRGOZNQUSW-UHFFFAOYSA-N",119373,NA,"PDBC02891",NA,"Present",NA,NA
+"2892","Eltrombopag",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eltrombopag","CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C","SVOQIEJWJCQGDQ-UHFFFAOYSA-N",135449332,NA,"PDBC02892",NA,"Present",NA,NA
+"2893","Enocitabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"enocitabine","CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","SAMRUMKYXPVKPA-VFKOLLTISA-N",71734,NA,"PDBC02893",NA,"Present",NA,NA
+"2894","Enoximone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"enoximone","CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)SC","ZJKNESGOIKRXQY-UHFFFAOYSA-N",53708,NA,"PDBC02894",NA,"Present",NA,NA
+"2895","Epinastine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"epinastine","C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N","WHWZLSFABNNENI-UHFFFAOYSA-N",3241,NA,"PDBC02895",NA,"Present",NA,NA
+"2896","Epinephrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"epinephrine","CNCC(C1=CC(=C(C=C1)O)O)O","UCTWMZQNUQWSLP-VIFPVBQESA-N",5816,NA,"PDBC02896",NA,"Present",NA,NA
+"2897","Eplerenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eplerenone","CC12CCC(=O)C=C1CC(C3C24C(O4)CC5(C3CCC56CCC(=O)O6)C)C(=O)OC","JUKPWJGBANNWMW-VWBFHTRKSA-N",443872,NA,"PDBC02897",NA,"Present",NA,NA
+"2898","Epothilone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epothilon A","epothilone-a","CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C","HESCAJZNRMSMJG-KKQRBIROSA-N",448799,NA,"PDBC02898","684362","Present",NA,NA
+"2899","Epothilone D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epothilone D","epothilone-d","CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)C","XOZIUKBZLSUILX-GIQCAXHBSA-N",447865,NA,"PDBC02899","703147","Present",NA,NA
+"2900","Eprinex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eprinomectin","CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)NC(=O)C)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O","WPNHOHPRXXCPRA-TVXIRPTOSA-N",6450531,NA,"PDBC02900",NA,"Present",NA,NA
+"2901","Eprobemide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eprobemide","C1COCCN1CCCNC(=O)C2=CC=C(C=C2)Cl","YYFGRAGNYHYWEZ-UHFFFAOYSA-N",65659,NA,"PDBC02901",NA,"Present",NA,NA
+"2902","Eprosartan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eprosartan","CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)C=C(CC3=CC=CS3)C(=O)O","OROAFUQRIXKEMV-LDADJPATSA-N",5281037,NA,"PDBC02902",NA,"Present",NA,NA
+"2903","Eptifibatide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eptifibatide","C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N","CZKPOZZJODAYPZ-LROMGURASA-N",448812,NA,"PDBC02903",NA,"Present",NA,NA
+"2904","Equol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"equol","C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O","ADFCQWZHKCXPAJ-GFCCVEGCSA-N",91469,NA,"PDBC02904",NA,"Present",NA,NA
+"2905","Ercalcitriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ercalcitriol","CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C","ZGLHBRQAEXKACO-XJRQOBMKSA-N",9547243,NA,"PDBC02905",NA,"Present",NA,NA
+"2906","Erdafitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNJ-42756493","erdafitinib","CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC","OLAHOMJCDNXHFI-UHFFFAOYSA-N",67462786,NA,"PDBC02906","781556","Present",NA,NA
+"2907","Erteberel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"erteberel","C1CC2C(C1)C3=C(C=CC(=C3)O)OC2C4=CC=C(C=C4)O","XIESSJVMWNJCGZ-VKJFTORMSA-N",10286159,NA,"PDBC02907",NA,"Present",NA,NA
+"2908","Erythritol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"erythritol","C(C(C(CO)O)O)O","UNXHWFMMPAWVPI-ZXZARUISSA-N",222285,NA,"PDBC02908",NA,"Present",NA,NA
+"2909","Estradiol benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"estradiol-benzoate","CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC=C5","UYIFTLBWAOGQBI-BZDYCCQFSA-N",222757,NA,"PDBC02909",NA,"Present",NA,NA
+"2910","Estradiol cypionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Estradiol Cypionate","estradiol-cypionate","CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O","UOACKFBJUYNSLK-XRKIENNPSA-N",9403,NA,"PDBC02910","3354","Present",NA,NA
+"2911","Ethacridine lactate monohydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethacridine-lactate-monohydrate","CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O.O","NYEPHMYJRNWPLA-UHFFFAOYSA-N",165457,NA,"PDBC02911",NA,"Present",NA,NA
+"2912","Ethinyl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethinyl estradiol","ethinyl-estradiol","CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O","BFPYWIDHMRZLRN-SLHNCBLASA-N",5991,NA,"PDBC02912","10973","Present",NA,NA
+"2913","Etofylline clofibrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"etofylline-clofibrate","CC(C)(C(=O)OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)OC3=CC=C(C=C3)Cl","KYAKGJDISSNVPZ-UHFFFAOYSA-N",41109,NA,"PDBC02913",NA,"Present",NA,NA
+"2914","Evacetrapib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"evacetrapib","CC1=CC(=C2C(=C1)C(CCCN2CC3CCC(CC3)C(=O)O)N(CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=NN(N=N5)C)C","IHIUGIVXARLYHP-UXNJHFGPSA-N",49836058,NA,"PDBC02914",NA,"Present",NA,NA
+"2915","Evodiamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"evodiamine","CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3","TXDUTHBFYKGSAH-SFHVURJKSA-N",442088,NA,"PDBC02915",NA,"Present",NA,NA
+"2916","Exatecan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"exatecan-mesylate","CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O","ZVYVPGLRVWUPMP-FYSMJZIKSA-N",151115,NA,"PDBC02916",NA,"Present",NA,NA
+"2917","Famciclovir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"famciclovir","CC(=O)OCC(CCN1C=NC2=CN=C(N=C21)N)COC(=O)C","GGXKWVWZWMLJEH-UHFFFAOYSA-N",3324,NA,"PDBC02917",NA,"Present",NA,NA
+"2918","famotidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"famotidine","C1=C(N=C(S1)N=C(N)N)CSCCC(=NS(=O)(=O)N)N","XUFQPHANEAPEMJ-UHFFFAOYSA-N",5702160,NA,"PDBC02918",NA,"Present",NA,NA
+"2919","Favipiravir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"favipiravir","C1=C(N=C(C(=O)N1)C(=O)N)F","ZCGNOVWYSGBHAU-UHFFFAOYSA-N",492405,NA,"PDBC02919",NA,"Present",NA,NA
+"2920","5-Fluoro-2-Deoxycytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-Deoxycytidine","fdcyd","C1C(C(OC1N2C=C(C(=NC2=O)N)F)CO)O","IDYKCXHJJGMAEV-UHFFFAOYSA-N",240980,NA,"PDBC02920","48006","Present",NA,NA
+"2921","Felbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"felbamate","C1=CC=C(C=C1)C(COC(=O)N)COC(=O)N","WKGXYQFOCVYPAC-UHFFFAOYSA-N",3331,NA,"PDBC02921",NA,"Present",NA,NA
+"2922","Fenaclon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fenaclon","C1=CC=C(C=C1)CCNC(=O)CCCl","BITWVVLBVUMFHU-UHFFFAOYSA-N",9376,NA,"PDBC02922",NA,"Present",NA,NA
+"2923","Fenretinide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FENRETINIDE///NSC760419","fenretinide","CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)O)C)C","AKJHMTWEGVYYSE-FXILSDISSA-N",5288209,NA,"PDBC02923","374551///760419","Present",NA,NA
+"2924","Fexinidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fexinidazole","CN1C(=CN=C1COC2=CC=C(C=C2)SC)[N+](=O)[O-]","MIWWSGDADVMLTG-UHFFFAOYSA-N",68792,NA,"PDBC02924",NA,"Present",NA,NA
+"2925","Filgotinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"filgotinib","C1CC1C(=O)NC2=NN3C(=N2)C=CC=C3C4=CC=C(C=C4)CN5CCS(=O)(=O)CC5","RIJLVEAXPNLDTC-UHFFFAOYSA-N",49831257,NA,"PDBC02925",NA,"Present",NA,NA
+"2926","Finafloxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"finafloxacin","C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4CC5C(C4)OCCN5)F)C(=O)O","FYMHQCNFKNMJAV-HOTGVXAUSA-N",11567473,NA,"PDBC02926",NA,"Present",NA,NA
+"2927","Fleroxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fleroxacin","CN1CCN(CC1)C2=C(C=C3C(=C2F)N(C=C(C3=O)C(=O)O)CCF)F","XBJBPGROQZJDOJ-UHFFFAOYSA-N",3357,NA,"PDBC02927",NA,"Present",NA,NA
+"2928","Flubendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flubenol","flubendazole","COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=C(C=C3)F","CPEUVMUXAHMANV-UHFFFAOYSA-N",35802,NA,"PDBC02928","313680","Present",NA,NA
+"2929","Fludarabine phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fludarabine-phosphate","C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)F)N","GIUYCYHIANZCFB-FJFJXFQQSA-N",30751,NA,"PDBC02929",NA,"Present",NA,NA
+"2930","Flumatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"flumatinib","CC1=C(C=C(C=N1)NC(=O)C2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)NC4=NC=CC(=N4)C5=CN=CC=C5","BJCJYEYYYGBROF-UHFFFAOYSA-N",46848036,NA,"PDBC02930",NA,"Present",NA,NA
+"2931","Flumethasone pivalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"flumethasone-pivalate","CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F","JWRMHDSINXPDHB-OJAGFMMFSA-N",443980,NA,"PDBC02931",NA,"Present",NA,NA
+"2932","Fluocinolone acetonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fluocinolone-acetonide","CC1(OC2CC3C4CC(C5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)F)C","FEBLZLNTKCEFIT-VSXGLTOVSA-N",6215,NA,"PDBC02932",NA,"Present",NA,NA
+"2933","fluoromethylcholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fluoromethylcholine","C[N+](C)(CCO)CF","PBVFROWIWWGIFK-UHFFFAOYSA-N",404592,NA,"PDBC02933",NA,"Present",NA,NA
+"2934","Fluroxene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fluroxene","C=COCC(F)(F)F","DLEGDLSLRSOURQ-UHFFFAOYSA-N",9844,NA,"PDBC02934",NA,"Present",NA,NA
+"2935","Fluticasone propionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fluticasone-propionate","CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCF","WMWTYOKRWGGJOA-CENSZEJFSA-N",444036,NA,"PDBC02935",NA,"Present",NA,NA
+"2936","Formestane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B, Aromatase inhibitor","formestane","CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCC4=O)C)O","OSVMTWJCGUFAOD-KZQROQTASA-N",11273,NA,"PDBC02936","282175","Present",NA,NA
+"2937","Forodesine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"forodesine","C1=C(C2=C(N1)C(=O)NC=N2)C3C(C(C(N3)CO)O)O","IWKXDMQDITUYRK-KUBHLMPHSA-N",135409409,NA,"PDBC02937",NA,"Present",NA,NA
+"2938","Fosbretabulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fosbretabulin","COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O","WDOGQTQEKVLZIJ-WAYWQWQTSA-N",5351387,NA,"PDBC02938",NA,"Present",NA,NA
+"2939","Foscarnet",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"foscarnet","C(=O)(O)P(=O)(O)O","ZJAOAACCNHFJAH-UHFFFAOYSA-N",3415,NA,"PDBC02939",NA,"Present",NA,NA
+"2940","Frentizole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"frentizole","COC1=CC2=C(C=C1)N=C(S2)NC(=O)NC3=CC=CC=C3","JHBWYQRKOUBPCA-UHFFFAOYSA-N",33334,NA,"PDBC02940",NA,"Present",NA,NA
+"2941","Tegafur",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tegafur","Tegafur","ftorafur","C1CC(OC1)N2C=C(C(=O)NC2=O)F","WFWLQNSHRPWKFK-UHFFFAOYSA-N",5386,NA,"PDBC02941","148958","Present",NA,NA
+"2942","Fudosteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fudosteine","C(CO)CSCC(C(=O)O)N","KINWYTAUPKOPCQ-YFKPBYRVSA-N",134669,NA,"PDBC02942",NA,"Present",NA,NA
+"2943","Galeterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"galeterone","CC12CCC(CC1=CCC3C2CCC4(C3CC=C4N5C=NC6=CC=CC=C65)C)O","PAFKTGFSEFKSQG-PAASFTFBSA-N",11188409,NA,"PDBC02943",NA,"Present",NA,NA
+"2944","Gambogic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gambogic acid","gambogic-acid","CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C)C","GEZHEQNLKAOMCA-JDDSCDDDSA-N",11599836,NA,"PDBC02944","693702","Present",NA,NA
+"2945","gamma-Aminobutyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gamma-aminobutyric-acid","C(CC(=O)O)CN","BTCSSZJGUNDROE-UHFFFAOYSA-N",119,NA,"PDBC02945",NA,"Present",NA,NA
+"2946","Ganetespib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ganetespib","ganetespib","CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O","RVAQIUULWULRNW-UHFFFAOYSA-N",135564985,NA,"PDBC02946","765435","Present",NA,NA
+"2947","Gastrodin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gastrodin","C1=CC(=CC=C1CO)OC2C(C(C(C(O2)CO)O)O)O","PUQSUZTXKPLAPR-UJPOAAIJSA-N",115067,NA,"PDBC02947",NA,"Present",NA,NA
+"2948","Genipin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"genipin","COC(=O)C1=COC(C2C1CC=C2CO)O","AZKVWQKMDGGDSV-BCMRRPTOSA-N",442424,NA,"PDBC02948",NA,"Present",NA,NA
+"2949","Genz-644282",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SAR-402674","genz-644282","CNCCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC","BAORCAMWLWRZQG-UHFFFAOYSA-N",10294813,NA,"PDBC02949","768112","Present",NA,NA
+"2950","Gestrinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gestrinone","CCC12C=CC3=C4CCC(=O)C=C4CCC3C1CCC2(C#C)O","BJJXHLWLUDYTGC-ANULTFPQSA-N",27812,NA,"PDBC02950",NA,"Present",NA,NA
+"2951","Gidazepam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gidazepam","C1C(=O)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3)CC(=O)NN","XLGCMZLSEXRBSG-UHFFFAOYSA-N",121919,NA,"PDBC02951",NA,"Present",NA,NA
+"2952","Gilteritinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gilteritinib (ASP-2215)",NA,NA,"Gilteritinib HCl///gilteritinib///Gilteritinib","gilteritinib",NA,NA,49803313,NA,"PDBC02952","787854///787846///800106","Present",NA,NA
+"2953","Gimeracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gimeracil","C1=C(C(=CNC1=O)Cl)O","ZPLQIPFOCGIIHV-UHFFFAOYSA-N",54679224,NA,"PDBC02953",NA,"Present",NA,NA
+"2954","Givinostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"givinostat","CCN(CC)CC1=CC2=C(C=C1)C=C(C=C2)COC(=O)NC3=CC=C(C=C3)C(=O)NO","YALNUENQHAQXEA-UHFFFAOYSA-N",9804992,NA,"PDBC02954",NA,"Present",NA,NA
+"2955","golgicide-a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"golgicide-a","C1C=CC2C1C(NC3=C2C=C(C=C3F)F)C4=CN=CC=C4","NJZHEQOUHLZCOX-WOSRLPQWSA-N",1085377,NA,"PDBC02955",NA,"Present",NA,NA
+"2956","Golvatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Golvatinib","golvatinib","CN1CCN(CC1)C2CCN(CC2)C(=O)NC3=NC=CC(=C3)OC4=CC(=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F","UQRCJCNVNUFYDX-UHFFFAOYSA-N",16118392,NA,"PDBC02956","800107","Present",NA,NA
+"2957","Guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"guanidine","C(=N)(N)N","ZRALSGWEFCBTJO-UHFFFAOYSA-N",3520,NA,"PDBC02957",NA,"Present",NA,NA
+"2958","Halobetasol propionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"halobetasol-propionate","CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)CCl","BDSYKGHYMJNPAB-LICBFIPMSA-N",6918178,NA,"PDBC02958",NA,"Present",NA,NA
+"2959","halofuginone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"halofuginone","C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O","LVASCWIMLIKXLA-LSDHHAIUSA-N",400772,NA,"PDBC02959",NA,"Present",NA,NA
+"2960","Harringtonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"harringtonin","harringtonine","CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O","HAVJATCHLFRDHY-KSZYUSJVSA-N",276389,NA,"PDBC02960","124147","Present",NA,NA
+"2961","Hesperadin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hesperadin","CCS(=O)(=O)NC1=CC2=C(C=C1)NC(=C2C(=NC3=CC=C(C=C3)CN4CCCCC4)C5=CC=CC=C5)O","HYHIYZMIFPJROG-UHFFFAOYSA-N",135421442,NA,"PDBC02961",NA,"Present",NA,NA
+"2962","Hexachlorophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HEXACHLOROPHENE","hexachlorophene","C1=C(C(=C(C(=C1Cl)Cl)CC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl","ACGUYXCXAPNIKK-UHFFFAOYSA-N",3598,NA,"PDBC02962","757055","Present",NA,NA
+"2963","Hexaminolevulinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hexaminolevulinate","CCCCCCOC(=O)CCC(=O)CN","RYQOILLJDKPETL-UHFFFAOYSA-N",6433083,NA,"PDBC02963",NA,"Present",NA,NA
+"2964","Hexylresorcinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexylresorcinol","hexylresorcinol","CCCCCCC1=C(C=C(C=C1)O)O","WFJIVOKAWHGMBH-UHFFFAOYSA-N",3610,NA,"PDBC02964","1570","Present",NA,NA
+"2965","Homoquinolinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"homoquinolinic-acid","C1=CC(=C(N=C1)C(=O)O)CC(=O)O","HQPMJFFEXJELOQ-UHFFFAOYSA-N",3080554,NA,"PDBC02965",NA,"Present",NA,NA
+"2966","hydroxytacrine-maleate-(r,s)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydroxytacrine-maleate-(r,s)","C1CC(C2=C(C3=CC=CC=C3N=C2C1)N)O","HLVVITIHAZBPKB-NSHDSACASA-N",667530,NA,"PDBC02966",NA,"Present",NA,NA
+"2967","Hyodeoxycholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hyodeoxycholic-acid","CC(CCC(=O)O)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)C)O)C","DGABKXLVXPYZII-SIBKNCMHSA-N",5283820,NA,"PDBC02967",NA,"Present",NA,NA
+"2968","Hypericin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hypericin","cyclosan///Hypericin","hypericin","CC1=CC(=O)C2=C(C3=C(C=C(C4=C3C5=C2C1=C6C(=CC(=O)C7=C(C8=C(C=C(C4=C8C5=C67)O)O)O)C)O)O)O","YDOIFHVUBCIUHF-UHFFFAOYSA-N",3663,NA,"PDBC02968","407313///622946","Present",NA,NA
+"2969","Hypoestoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hypoestoxide","CC(=O)OC1CC2(C(O2)CCC3(C(O3)CC4CC(=O)C(=C)C1C4(C)C)C)C","HNPAHGHFONBTLV-KSJQNFQUSA-N",11199742,NA,"PDBC02969",NA,"Present",NA,NA
+"2970","Ibutilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ibutilide","CCCCCCCN(CC)CCCC(C1=CC=C(C=C1)NS(=O)(=O)C)O","ALOBUEHUHMBRLE-UHFFFAOYSA-N",60753,NA,"PDBC02970",NA,"Present",NA,NA
+"2971","Icotinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"icotinib","C#CC1=CC(=CC=C1)NC2=NC=NC3=CC4=C(C=C32)OCCOCCOCCO4","QQLKULDARVNMAL-UHFFFAOYSA-N",22024915,NA,"PDBC02971",NA,"Present",NA,NA
+"2972","Idasanutlin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RG-7388","idasanutlin","CC(C)(C)CC1C(C(C(N1)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC)C3=C(C(=CC=C3)Cl)F)(C#N)C4=C(C=C(C=C4)Cl)F","TVTXCJFHQKSQQM-LJQIRTBHSA-N",53358942,NA,"PDBC02972","779404","Present",NA,NA
+"2973","Idronoxil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"idronoxil","C1C(=CC2=C(O1)C=C(C=C2)O)C3=CC=C(C=C3)O","ZZUBHVMHNVYXRR-UHFFFAOYSA-N",219100,NA,"PDBC02973",NA,"Present",NA,NA
+"2974","Imidapril",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"imidapril","CCOC(=O)C(CCC1=CC=CC=C1)NC(C)C(=O)N2C(CN(C2=O)C)C(=O)O","KLZWOWYOHUKJIG-BPUTZDHNSA-N",5464343,NA,"PDBC02974",NA,"Present",NA,NA
+"2975","Imiloxan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"imiloxan","CCN1C=CN=C1CC2COC3=CC=CC=C3O2","UXABARREKCJULM-UHFFFAOYSA-N",133621,NA,"PDBC02975",NA,"Present",NA,NA
+"2976","Indibulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indibulin","indibulin","C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4","SOLIIYNRSAWTSQ-UHFFFAOYSA-N",2929,NA,"PDBC02976","758489","Present",NA,NA
+"2977","Indiplon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indiplon","CC(=O)N(C)C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C(=O)C4=CC=CS4","CBIAWPMZSFFRGN-UHFFFAOYSA-N",6450813,NA,"PDBC02977",NA,"Present",NA,NA
+"2978","Indirubin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indirubin","C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=O","JNLNPCNGMHKCKO-UHFFFAOYSA-N",10177,NA,"PDBC02978",NA,"Present",NA,NA
+"2979","Ingenol mebutate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ingenol-mebutate","CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)C)CC3C)CO)O)O)C","VDJHFHXMUKFKET-WDUFCVPESA-N",6918670,NA,"PDBC02979",NA,"Present",NA,NA
+"2980","Inosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"inosine","C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O","UGQMRVRMYYASKQ-KQYNXXCUSA-N",135398641,NA,"PDBC02980",NA,"Present",NA,NA
+"2981","4-Iododexetimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"iododexetimide","C1CN(CCC1C2(CCC(=O)NC2=O)C3=CC=CC=C3)CC4=CC=C(C=C4)I","WJLRTFJPHDSXAF-HSZRJFAPSA-N",11755220,NA,"PDBC02981",NA,"Present",NA,NA
+"2982","Ipsapirone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ipsapirone",NA,"ipsapirone","C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4","TZJUVVIWVWFLCD-UHFFFAOYSA-N",56971,NA,"PDBC02982",NA,"Present",NA,NA
+"2983","Isofloxythepin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isofloxythepin","CC(C)C1=CC2=C(C=C1)SC3=C(CC2N4CCN(CC4)CCO)C=CC(=C3)F","XDBMBHVYXPBOPL-UHFFFAOYSA-N",115193,NA,"PDBC02983",NA,"Present",NA,NA
+"2984","Isometheptene-mucate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isometheptene-mucate","CC(CCC=C(C)C)NC","XVQUOJBERHHONY-VIFPVBQESA-N",6604597,NA,"PDBC02984",NA,"Present",NA,NA
+"2985","Isopropyl myristate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isopropyl-myristate","CCCCCCCCCCCCCC(=O)OC(C)C","AXISYYRBXTVTFY-UHFFFAOYSA-N",8042,NA,"PDBC02985",NA,"Present",NA,NA
+"2986","Ixazomib-citrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ixazomib-citrate","B1(OC(=O)CC(O1)(CC(=O)O)C(=O)O)C(CC(C)C)NC(=O)CNC(=O)C2=C(C=CC(=C2)Cl)Cl","YTXSYWAKVMZICI-VBKZILBWSA-N",69040311,NA,"PDBC02986",NA,"Present",NA,NA
+"2987","Kifunensine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kifunensine","C(C1C(C(C(C2N1C(=O)C(=O)N2)O)O)O)O","OIURYJWYVIAOCW-PQMKYFCFSA-N",130611,NA,"PDBC02987",NA,"Present",NA,NA
+"2988","Kynurenic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kynurenic-acid","C1=CC=C2C(=C1)C(=O)C=C(N2)C(=O)O","HCZHHEIFKROPDY-UHFFFAOYSA-N",3845,NA,"PDBC02988",NA,"Present",NA,NA
+"2989","Lactitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lacitol","C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O","VQHSOMBJVWLPSR-JVCRWLNRSA-N",157355,NA,"PDBC02989",NA,"Present",NA,NA
+"2990","Lafutidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lafutidine","C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CS(=O)CC3=CC=CO3","KMZQAVXSMUKBPD-DJWKRKHSSA-N",5282136,NA,"PDBC02990",NA,"Present",NA,NA
+"2991","Lanoconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lanoconazole","C1C(SC(=C(C#N)N2C=CN=C2)S1)C3=CC=CC=C3Cl","ZRTQSJFIDWNVJW-WYMLVPIESA-N",3002820,NA,"PDBC02991",NA,"Present",NA,NA
+"2992","Lappaconitine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lappaconite","CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5(C6OC)O)OC)O)OC)OC(=O)C7=CC=CC=C7NC(=O)C","NWBWCXBPKTTZNQ-QOQRDJBUSA-N",90479327,NA,"PDBC02992",NA,"Present",NA,NA
+"2993","Latanoprost",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"latanoprost","CC(C)OC(=O)CCCC=CCC1C(CC(C1CCC(CCC2=CC=CC=C2)O)O)O","GGXICVAJURFBLW-CEYXHVGTSA-N",5311221,NA,"PDBC02993",NA,"Present",NA,NA
+"2994","Latrepirdine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"latrepirdine","CC1=CC2=C(C=C1)N(C3=C2CN(CC3)C)CCC4=CN=C(C=C4)C","JNODQFNWMXFMEV-UHFFFAOYSA-N",197033,NA,"PDBC02994",NA,"Present",NA,NA
+"2995","Lerisetron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lerisetron","C1CN(CCN1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4","PWWDCRQZITYKDV-UHFFFAOYSA-N",65997,NA,"PDBC02995",NA,"Present",NA,NA
+"2996","Leucovorin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"leucovorin","C1C(N(C2=C(N1)N=C(NC2=O)N)C=O)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","VVIAGPKUTFNRDU-ABLWVSNPSA-N",135403648,NA,"PDBC02996",NA,"Present",NA,NA
+"2997","Levocarnitine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"levocarnitine","C[N+](C)(C)CC(CC(=O)[O-])O","PHIQHXFUZVPYII-ZCFIWIBFSA-N",10917,NA,"PDBC02997",NA,"Present",NA,NA
+"2998","Levocetirizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"levocetirizine","C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl","ZKLPARSLTMPFCP-OAQYLSRUSA-N",1549000,NA,"PDBC02998",NA,"Present",NA,NA
+"2999","Licochalcone a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"licochalcone-a","CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)OC)O","KAZSKMJFUPEHHW-DHZHZOJOSA-N",5318998,NA,"PDBC02999",NA,"Present",NA,NA
+"3000","Lidamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lidamidine","CC1=C(C(=CC=C1)C)NC(=O)NC(=NC)N","RRHJHSBDJDZUGL-UHFFFAOYSA-N",47510,NA,"PDBC03000",NA,"Present",NA,NA
+"3001","Linalool",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"linalool","CC(=CCCC(C)(C=C)O)C","CDOSHBSSFJOMGT-UHFFFAOYSA-N",6549,NA,"PDBC03001",NA,"Present",NA,NA
+"3002","Litronesib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789722","litronesib","CCNCCS(=O)(=O)NCC1(N(N=C(S1)NC(=O)C(C)(C)C)C(=O)C(C)(C)C)C2=CC=CC=C2","YVAFBXLHPINSIK-QHCPKHFHSA-N",25167017,NA,"PDBC03002","789722","Present",NA,NA
+"3003","Lomitapide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lomitapide","C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F","MBBCVAKAJPKAKM-UHFFFAOYSA-N",9853053,NA,"PDBC03003",NA,"Present",NA,NA
+"3004","Lonafarnib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lonafarnib","C1CN(CCC1CC(=O)N2CCC(CC2)C3C4=C(CCC5=C3N=CC(=C5)Br)C=C(C=C4Br)Cl)C(=O)N","DHMTURDWPRKSOA-RUZDIDTESA-N",148195,NA,"PDBC03004",NA,"Present",NA,NA
+"3005","Lorazepam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lorazepam","C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl","DIWRORZWFLOCLC-UHFFFAOYSA-N",3958,NA,"PDBC03005",NA,"Present",NA,NA
+"3006","Lorlatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-06463922","lorlatinib","CC1C2=C(C=CC(=C2)F)C(=O)N(CC3=NN(C(=C3C4=CC(=C(N=C4)N)O1)C#N)C)C","IIXWYSCJSQVBQM-LLVKDONJSA-N",71731823,NA,"PDBC03006","780108","Present",NA,NA
+"3007","N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"loxistatin-acid","CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(O1)C(=O)O","SCMSYZJDIQPSDI-SRVKXCTJSA-N",123664,NA,"PDBC03007",NA,"Present",NA,NA
+"3008","Lucitanib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E-3810","lucitanib","CNC(=O)C1=CC=CC2=C1C=CC(=C2)OC3=C4C=C(C(=CC4=NC=C3)OCC5(CC5)N)OC","CUDVHEFYRIWYQD-UHFFFAOYSA-N",25031915,NA,"PDBC03008","782762","Present",NA,NA
+"3009","Lurasidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lurasidone","C1CCC(C(C1)CN2CCN(CC2)C3=NSC4=CC=CC=C43)CN5C(=O)C6C7CCC(C7)C6C5=O","PQXKDMSYBGKCJA-CVTJIBDQSA-N",213046,NA,"PDBC03009",NA,"Present",NA,NA
+"3010","Marimastat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"marimastat","CC(C)CC(C(C(=O)NO)O)C(=O)NC(C(=O)NC)C(C)(C)C","OCSMOTCMPXTDND-OUAUKWLOSA-N",119031,NA,"PDBC03010",NA,"Present",NA,NA
+"3011","Maxacalcitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"maxacalcitol","CC(C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OCCC(C)(C)O","DTXXSJZBSTYZKE-ZDQKKZTESA-N",6398761,NA,"PDBC03011",NA,"Present",NA,NA
+"3012","Maytansinol isobutyrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"maytansine deriv","maytansinol-isobutyrate","CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O","OPQNCARIZFLNLF-VYRZMWHGSA-N",54604529,NA,"PDBC03012","292222","Present",NA,NA
+"3013","Meglitinide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meglitinide","COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)C(=O)O","SWLAMJPTOQZTAE-UHFFFAOYSA-N",41214,NA,"PDBC03013",NA,"Present",NA,NA
+"3014","Melengestrol-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"melengestrol-acetate","CC1=CC2C(CCC3(C2CC(=C)C3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C","UDKABVSQKJNZBH-AKZSSJSASA-N",26604442,NA,"PDBC03014",NA,"Present",NA,NA
+"3015","Meloxicam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meloxicam","CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O","ZRVUJXDFFKFLMG-UHFFFAOYSA-N",54677470,NA,"PDBC03015",NA,"Present",NA,NA
+"3016","Mepivacaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mepivacaine","CC1=C(C(=CC=C1)C)NC(=O)C2CCCCN2C","INWLQCZOYSRPNW-UHFFFAOYSA-N",4062,NA,"PDBC03016",NA,"Present",NA,NA
+"3017","Mericitabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mericitabine","CC(C)C(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(C)F)OC(=O)C(C)C","MLESJYFEMSJZLZ-MAAOGQSESA-N",16122663,NA,"PDBC03017",NA,"Present",NA,NA
+"3018","Merimepodib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"merimepodib","COC1=C(C=CC(=C1)NC(=O)NC2=CC=CC(=C2)CNC(=O)OC3CCOC3)C4=CN=CO4","JBPUGFODGPKTDW-SFHVURJKSA-N",153241,NA,"PDBC03018",NA,"Present",NA,NA
+"3019","Mesna",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mesna","C(CS(=O)(=O)[O-])S.[Na+]","XOGTZOOQQBDUSI-UHFFFAOYSA-M",23662354,NA,"PDBC03019",NA,"Present",NA,NA
+"3020","metatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"metatinib","C1=CC(=CC=C1C2=CNC=C(C2=O)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F)F","PDYXPCKITKHFOZ-UHFFFAOYSA-N",44155856,NA,"PDBC03020",NA,"Present",NA,NA
+"3021","Methiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methiazole","CC(C)SC1=CC2=C(C=C1)N=C(N2)NC(=O)OC","SXJIZQPZESTWLD-UHFFFAOYSA-N",6604471,NA,"PDBC03021",NA,"Present",NA,NA
+"3022","Methoxyflurane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methoxyflurane","COC(C(Cl)Cl)(F)F","RFKMCNOHBTXSMU-UHFFFAOYSA-N",4116,NA,"PDBC03022",NA,"Present",NA,NA
+"3023","Methscopolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methscopolamine","C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C","LZCOQTDXKCNBEE-XJMZPCNVSA-N",71183,NA,"PDBC03023",NA,"Present",NA,NA
+"3024","Methylphenidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methylphenidate","COC(=O)C(C1CCCCN1)C2=CC=CC=C2","DUGOZIWVEXMGBE-UHFFFAOYSA-N",4158,NA,"PDBC03024",NA,"Present",NA,NA
+"3025","Metoxibutropate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"metoxibutropate","CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC=CC=C2OC","FVRWRGBTEHAPDI-UHFFFAOYSA-N",4464271,NA,"PDBC03025",NA,"Present",NA,NA
+"3026","Mevastatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mevastatin","I518///MEVASTATIN","mevastatin","CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O","AJLFOPYRIVGYMJ-INTXDZFKSA-N",64715,NA,"PDBC03026","779705///759322","Present",NA,NA
+"3027","Mexenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mexeneone","CC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)O","MJVGBKJNTFCUJM-UHFFFAOYSA-N",71645,NA,"PDBC03027",NA,"Present",NA,NA
+"3028","Mibampator",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mibampator","CC(C)S(=O)(=O)NCC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)CCNS(=O)(=O)C","ULRDYYKSPCRXAJ-KRWDZBQOSA-N",9889366,NA,"PDBC03028",NA,"Present",NA,NA
+"3029","Mibefradil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mibefradil",NA,"mibefradil","CC(C)C1C2=C(CCC1(CCN(C)CCCC3=NC4=CC=CC=C4N3)OC(=O)COC)C=C(C=C2)F","HBNPJJILLOYFJU-VMPREFPWSA-N",60663,NA,"PDBC03029",NA,"Present",NA,NA
+"3030","Mocetinostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mocetinostat","mocetinostat","C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CNC3=NC=CC(=N3)C4=CN=CC=C4","HRNLUBSXIHFDHP-UHFFFAOYSA-N",9865515,NA,"PDBC03030","760143","Present",NA,NA
+"3031","Morin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"morin","morin","C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O","YXOLAZRVSSWPPT-UHFFFAOYSA-N",5281670,NA,"PDBC03031","19801","Present",NA,NA
+"3032","Mozavaptan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mozavaptan","CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCCC(C4=CC=CC=C43)N(C)C","WRNXUQJJCIZICJ-UHFFFAOYSA-N",119369,NA,"PDBC03032",NA,"Present",NA,NA
+"3033","Mubritinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mubritinib","C1=CC(=CC=C1CCCCN2C=CN=N2)OCC3=COC(=N3)C=CC4=CC=C(C=C4)C(F)(F)F","ZTFBIUXIQYRUNT-MDWZMJQESA-N",6444692,NA,"PDBC03033",NA,"Present",NA,NA
+"3034","Mycophenolate mofetil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mycophenolate mofetil (usan)","mycophenolate-mofetil","CC1=C2COC(=O)C2=C(C(=C1OC)CC=C(C)CCC(=O)OCCN3CCOCC3)O","RTGDFNSFWBGLEC-SYZQJQIISA-N",5281078,NA,"PDBC03034","758905","Present",NA,NA
+"3035","Nadifloxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nadifloxacin","CC1CCC2=C3N1C=C(C(=O)C3=CC(=C2N4CCC(CC4)O)F)C(=O)O","JYJTVFIEFKZWCJ-UHFFFAOYSA-N",4410,NA,"PDBC03035",NA,"Present",NA,NA
+"3036","Ccris 8440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nanchangmycin","CC1CC(C(OC1C2CC(C3(O2)C(C(CC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)[O-])C)O)C)OC6CCC(C(O6)C)OC)C)C)(CO)O)C.[Na+]","XMAIRYYXDCNFKP-SEDNIUBGSA-M",86278937,NA,"PDBC03036",NA,"Present",NA,NA
+"3037","Napabucasin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"napabucasin","napabucasin","CC(=O)C1=CC2=C(O1)C(=O)C3=CC=CC=C3C2=O","DPHUWDIXHNQOSY-UHFFFAOYSA-N",10331844,NA,"PDBC03037","788900","Present",NA,NA
+"3038","Narasin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"narasin","CCC(C1C(CC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C)C(=O)O","VHKXXVVRRDYCIK-CWCPJSEDSA-N",65452,NA,"PDBC03038",NA,"Present",NA,NA
+"3039","Narlaprevir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"narlaprevir","CCCCC(C(=O)C(=O)NC1CC1)NC(=O)C2C3C(C3(C)C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C","RICZEKWVNZFTNZ-LFGITCQGSA-N",11857239,NA,"PDBC03039",NA,"Present",NA,NA
+"3040","Navarixin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"navarixin","CCC(C1=CC=C(O1)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C","RXIUEIPPLAFSDF-CYBMUJFWSA-N",9865554,NA,"PDBC03040",NA,"Present",NA,NA
+"3041","Nefiracetam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nefiracetam","CC1=C(C(=CC=C1)C)NC(=O)CN2CCCC2=O","NGHTXZCKLWZPGK-UHFFFAOYSA-N",71157,NA,"PDBC03041",NA,"Present",NA,NA
+"3042","Emonapride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nemonapride","CC1C(CCN1CC2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3OC)NC)Cl","KRVOJOCLBAAKSJ-RDTXWAMCSA-N",156333,NA,"PDBC03042",NA,"Present",NA,NA
+"3043","Nemorubicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nemorubicin","CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOC(C6)OC)O","CTMCWCONSULRHO-UHQPFXKFSA-N",65907,NA,"PDBC03043",NA,"Present",NA,NA
+"3044","Nexturastat A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nexturastat-a","CCCCN(CC1=CC=C(C=C1)C(=O)NO)C(=O)NC2=CC=CC=C2","JZWXMCPARMXZQV-UHFFFAOYSA-N",71462653,NA,"PDBC03044",NA,"Present",NA,NA
+"3045","Nicorandil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nicorandil","C1=CC(=CN=C1)C(=O)NCCO[N+](=O)[O-]","LBHIOVVIQHSOQN-UHFFFAOYSA-N",47528,NA,"PDBC03045",NA,"Present",NA,NA
+"3046","Nicotine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nicotine","CN1CCCC1C2=CN=CC=C2","SNICXCGAKADSCV-JTQLQIEISA-N",89594,NA,"PDBC03046",NA,"Present",NA,NA
+"3047","Nimorazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nimorazole","C1COCCN1CCN2C=NC=C2[N+](=O)[O-]","MDJFHRLTPRPZLY-UHFFFAOYSA-N",23009,NA,"PDBC03047",NA,"Present",NA,NA
+"3048","Nitarsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitarsone","C1=CC(=CC=C1[N+](=O)[O-])[As](=O)(O)O","FUUFQLXAIUOWML-UHFFFAOYSA-N",66826,NA,"PDBC03048",NA,"Present",NA,NA
+"3049","Nithiamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nithiamide","CC(=O)NC1=NC=C(S1)[N+](=O)[O-]","UJRRDDHEMZLWFI-UHFFFAOYSA-N",8798,NA,"PDBC03049",NA,"Present",NA,NA
+"3050","Nitisinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitisinone","nitisinone","C1CC(=O)C(C(=O)C1)C(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]","OUBCNLGXQFSTLU-UHFFFAOYSA-N",115355,NA,"PDBC03050","773149","Present",NA,NA
+"3051","nitrocaramiphen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitrocaramiphen","CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=C(C=C2)[N+](=O)[O-]","NSHMVLOWOAQFTP-UHFFFAOYSA-N",3941250,NA,"PDBC03051",NA,"Present",NA,NA
+"3052","Nizofenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nizofenone","CCN(CC)CC1=NC=CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3Cl","WZGBZLHGOVJDET-UHFFFAOYSA-N",4514,NA,"PDBC03052",NA,"Present",NA,NA
+"3053","Nobiletin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nobiletin","nobiletin","COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC","MRIAQLRQZPPODS-UHFFFAOYSA-N",72344,NA,"PDBC03053","76751","Present",NA,NA
+"3054","Nomegestrol acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nomegestrol-acetate","CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4C1=CC(=O)CC4","IIVBFTNIGYRNQY-YQLZSBIMSA-N",91668,NA,"PDBC03054",NA,"Present",NA,NA
+"3055","Nonoxynol-9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NONOXYNOL-9","nonoxynol-9","CCCCCCCCCC1=CC=C(C=C1)OCCOCCOCCOCCOCCOCCOCCOCCOCCO","FBWNMEQMRUMQSO-UHFFFAOYSA-N",72385,NA,"PDBC03055","758941","Present",NA,NA
+"3056","Norepinephrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"norepinephrine","C1=CC(=C(C=C1C(CN)O)O)O","SFLSHLFXELFNJZ-QMMMGPOBSA-N",439260,NA,"PDBC03056",NA,"Present",NA,NA
+"3057","Obidoxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"obidoxime","C1=C[N+](=CC=C1C=NO)COC[N+]2=CC=C(C=C2)C=NO","HIGRLDNHDGYWQJ-UHFFFAOYSA-P",135412781,NA,"PDBC03057",NA,"Present",NA,NA
+"3058","Octenidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"octenidine","CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2","ZVXNYZWXUADSRV-UHFFFAOYSA-N",51167,NA,"PDBC03058",NA,"Present",NA,NA
+"3059","Odanacatib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Odanacatib","odanacatib","CC(C)(CC(C(=O)NC1(CC1)C#N)NC(C2=CC=C(C=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F)F","FWIVDMJALNEADT-SFTDATJTSA-N",10152654,NA,"PDBC03059","766811","Present",NA,NA
+"3060","Oleanolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oleanolic-acid","CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C","MIJYXULNPSFWEK-GTOFXWBISA-N",10494,NA,"PDBC03060",NA,"Present",NA,NA
+"3061","n-Oleoylethanolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oleoylethanolamide","CCCCCCCCC=CCCCCCCCC(=O)NCCO","BOWVQLFMWHZBEF-KTKRTIGZSA-N",5283454,NA,"PDBC03061",NA,"Present",NA,NA
+"3062","Oltipraz",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oltipraz","oltipraz","CC1=C(SSC1=S)C2=NC=CN=C2","CKNAQFVBEHDJQV-UHFFFAOYSA-N",47318,NA,"PDBC03062","347901","Present",NA,NA
+"3063","1-(4-Chlorobenzyl)-1H-indole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oncrasin-1","C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=O","ZDRQMXCSSAPUMM-UHFFFAOYSA-N",872445,NA,"PDBC03063",NA,"Present",NA,NA
+"3064","Oprozomib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oprozomib","Oprozomib","oprozomib","CC1=NC=C(S1)C(=O)NC(COC)C(=O)NC(COC)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(CO3)C","SWZXEVABPLUDIO-WSZYKNRRSA-N",25067547,NA,"PDBC03064","766254","Present",NA,NA
+"3065","Orantinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC702827///NSC763929","orantinib","CC1=C(NC(=C1CCC(=O)O)C)C=C2C3=CC=CC=C3NC2=O","NHFDRBXTEDBWCZ-ZROIWOOFSA-N",5329099,NA,"PDBC03065","702827///763929","Present",NA,NA
+"3066","Oridonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oridonin","CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C","SDHTXBWLVGWJFT-XKCURVIJSA-N",5321010,NA,"PDBC03066",NA,"Present",NA,NA
+"3067","L-Ornithine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ornithine","C(CC(C(=O)O)N)CN","AHLPHDHHMVZTML-BYPYZUCNSA-N",6262,NA,"PDBC03067",NA,"Present",NA,NA
+"3068","Orotic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"orotic-acid","C1=C(NC(=O)NC1=O)C(=O)O","PXQPEWDEAKTCGB-UHFFFAOYSA-N",967,NA,"PDBC03068",NA,"Present",NA,NA
+"3069","Oseltamivir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oseltamivir-phosphate","CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC","VSZGPKBBMSAYNT-RRFJBIMHSA-N",65028,NA,"PDBC03069",NA,"Present",NA,NA
+"3070","Oxazepam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxazepam","C1=CC=C(C=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O","ADIMAYPTOBDMTL-UHFFFAOYSA-N",4616,NA,"PDBC03070",NA,"Present",NA,NA
+"3071","Oxcarbazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxcarbazepine","C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N","CTRLABGOLIVAIY-UHFFFAOYSA-N",34312,NA,"PDBC03071",NA,"Present",NA,NA
+"3072","Oxiperomide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Peromide","oxiperomide","C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCOC4=CC=CC=C4","NVDBBGBUTKLRSN-UHFFFAOYSA-N",68634,NA,"PDBC03072","313681","Present",NA,NA
+"3073","Oxiracetam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxiracetam","C1C(CN(C1=O)CC(=O)N)O","IHLAQQPQKRMGSS-UHFFFAOYSA-N",4626,NA,"PDBC03073",NA,"Present",NA,NA
+"3074","Oxonic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxonic-acid","C1(=NC(=O)NC(=O)N1)C(=O)O","RYYCJUAHISIHTL-UHFFFAOYSA-N",4604,NA,"PDBC03074",NA,"Present",NA,NA
+"3075","Oxymatrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxymatrine","C1CC2C3CCC[N+]4(C3C(CCC4)CN2C(=O)C1)[O-]","XVPBINOPNYFXID-LHDUFFHYSA-N",114850,NA,"PDBC03075",NA,"Present",NA,NA
+"3076","Oxyphencyclimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxyphencyclimine","CN1CCCN=C1COC(=O)C(C2CCCCC2)(C3=CC=CC=C3)O","DUDKAZCAISNGQN-UHFFFAOYSA-N",4642,NA,"PDBC03076",NA,"Present",NA,NA
+"3077","8-Hydroxyquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC2039///NSC285166","oxyquinoline","C1=CC2=C(C(=C1)O)N=CC=C2","MCJGNVYPOGVAJF-UHFFFAOYSA-N",1923,NA,"PDBC03077","2039///285166","Present",NA,NA
+"3078","Pacritinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759674///NSC781626","pacritinib","C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2","HWXVIOGONBBTBY-ONEGZZNKSA-N",46216796,NA,"PDBC03078","759674///781626","Present",NA,NA
+"3079","Paliperidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"paliperidone","CC1=C(C(=O)N2CCCC(C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F","PMXMIIMHBWHSKN-UHFFFAOYSA-N",115237,NA,"PDBC03079",NA,"Present",NA,NA
+"3080","Palmitoylethanolamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"palmitoylethanolamide","CCCCCCCCCCCCCCCC(=O)NCCO","HXYVTAGFYLMHSO-UHFFFAOYSA-N",4671,NA,"PDBC03080",NA,"Present",NA,NA
+"3081","Palomid 529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P-529","palomid-529","CC(C1=CC2=C(C=C1)C3=CC(=C(C=C3OC2=O)OCC4=CC=C(C=C4)OC)OC)O","YEAHTLOYHVWAKW-UHFFFAOYSA-N",11998575,NA,"PDBC03081","775306","Present",NA,NA
+"3082","4-Chlorophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"parachlorophenol","C1=CC(=CC=C1O)Cl","WXNZTHHGJRFXKQ-UHFFFAOYSA-N",4684,NA,"PDBC03082",NA,"Present",NA,NA
+"3083","Pardoprunox",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pardoprunox","CN1CCN(CC1)C2=CC=CC3=C2OC(=O)N3","YVPUUUDAZYFFQT-UHFFFAOYSA-N",6918525,NA,"PDBC03083",NA,"Present",NA,NA
+"3084","Paricalcitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"paricalcitol","CC(C=CC(C)C(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CC(C3)O)O)C","BPKAHTKRCLCHEA-UBFJEZKGSA-N",5281104,NA,"PDBC03084",NA,"Present",NA,NA
+"3085","Penicillamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"penicillamine-(D)","CC(C)(C(C(=O)O)N)S","VVNCNSJFMMFHPL-VKHMYHEASA-N",5852,NA,"PDBC03085",NA,"Present",NA,NA
+"3086","Pentagastrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pentagastrin","CC(C)(C)OC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N","NEYNJQRKHLUJRU-DZUOILHNSA-N",9853654,NA,"PDBC03086",NA,"Present",NA,NA
+"3087","Peruvoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"peruvoside","CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C=O)O)OC)O","PMTSPAGBAFCORP-HBUONDEYSA-N",12314120,NA,"PDBC03087",NA,"Present",NA,NA
+"3088","Phenylbutazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenylbutazone","CCCCC1C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3","VYMDGNCVAMGZFE-UHFFFAOYSA-N",4781,NA,"PDBC03088",NA,"Present",NA,NA
+"3089","Phenylmercuric acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenylmercuric acetate (usan)","phenylmercuric-acetate","CC(=O)O[Hg]C1=CC=CC=C1","XEBWQGVWTUSTLN-UHFFFAOYSA-M",16682730,NA,"PDBC03089","757402","Present",NA,NA
+"3090","Phlorizin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phlorizin","C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O","IOUVKUPGCMBWBT-QNDFHXLGSA-N",6072,NA,"PDBC03090",NA,"Present",NA,NA
+"3091","Pibenzimol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pibenzimol","CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)O","INAAIJLSXJJHOZ-UHFFFAOYSA-N",2392,NA,"PDBC03091",NA,"Present",NA,NA
+"3092","Piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"piperazine","C1CNCCN1","GLUUGHFHXGJENI-UHFFFAOYSA-N",4837,NA,"PDBC03092",NA,"Present",NA,NA
+"3093","Pitavastatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pitavastatin","C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)O)O)O)C4=CC=C(C=C4)F","VGYFMXBACGZSIL-MCBHFWOFSA-N",5282452,NA,"PDBC03093",NA,"Present",NA,NA
+"3094","Plinabulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plinabulin","plinabulin","CC(C)(C)C1=C(N=CN1)C=C2C(=O)NC(=CC3=CC=CC=C3)C(=O)N2","UNRCMCRRFYFGFX-TYPNBTCFSA-N",9949641,NA,"PDBC03094","797934","Present",NA,NA
+"3095","Polydatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"polydatin","C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O","HSTZMXCBWJGKHG-CUYWLFDKSA-N",5281718,NA,"PDBC03095",NA,"Present",NA,NA
+"3096","Pomalidomide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pomalidomide","pomalidomide","C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N","UVSMNLNDYGZFPF-UHFFFAOYSA-N",134780,NA,"PDBC03096","775351","Present",NA,NA
+"3097","Posaconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"posaconazole","CCC(C(C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5CC(OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F","RAGOYPUPXAKGKH-XAKZXMRKSA-N",468595,NA,"PDBC03097",NA,"Present",NA,NA
+"3098","Poziotinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783296///NSC800856","poziotinib","COC1=C(C=C2C(=C1)N=CN=C2NC3=C(C(=C(C=C3)Cl)Cl)F)OC4CCN(CC4)C(=O)C=C","LPFWVDIFUFFKJU-UHFFFAOYSA-N",25127713,NA,"PDBC03098","783296///800856","Present",NA,NA
+"3099","Pranidipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pranidipine","CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC","XTFPDGZNWTZCMF-DHZHZOJOSA-N",6436048,NA,"PDBC03099",NA,"Present",NA,NA
+"3100","Prednisolone hemisuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prednisolone-hemisuccinate","CC12CC(C3C(C1CCC2(C(=O)COC(=O)CCC(=O)O)O)CCC4=CC(=O)C=CC34C)O","APGDTXUMTIZLCJ-CGVGKPPMSA-N",656804,NA,"PDBC03100",NA,"Present",NA,NA
+"3101","Prednisolone-tebutate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prednisolone-tebutate","CC12CC(C3C(C1CCC2(C(=O)COC(=O)CC(C)(C)C)O)CCC4=CC(=O)C=CC34C)O","HUMXXHTVHHLNRO-HGVFMWMISA-N",155903746,NA,"PDBC03101",NA,"Present",NA,NA
+"3102","Proflavine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC1510///NSC6095///3,6-Diaminoacridine hemisulfate///Proflavine HCl","proflavine-hemisulfate","C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N","WDVSHHCDHLJJJR-UHFFFAOYSA-N",7099,NA,"PDBC03102","1510///6095///689004///605756","Present",NA,NA
+"3103","Proscillaridin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"simeon","proscillaridin-a","CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O","MYEJFUXQJGHEQK-OWBILYANSA-N",222154,NA,"PDBC03103","7521","Present",NA,NA
+"3104","Protirelin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"protirelin","C1CC(N(C1)C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3)C(=O)N","XNSAINXGIQZQOO-SRVKXCTJSA-N",638678,NA,"PDBC03104",NA,"Present",NA,NA
+"3105","Pterostilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pterostilbene",NA,"pterostilbene","COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC","VLEUZFDZJKSGMX-ONEGZZNKSA-N",5281727,NA,"PDBC03105",NA,"Present",NA,NA
+"3106","Pyrithione Zinc",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC290409","pyrithione-zinc",NA,NA,NA,NA,"PDBC03106","290409","Present",NA,NA
+"3107","Pyritinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyritinol","CC1=NC=C(C(=C1O)CO)CSSCC2=CN=C(C(=C2CO)O)C","SIXLXDIJGIWWFU-UHFFFAOYSA-N",14190,NA,"PDBC03107",NA,"Present",NA,NA
+"3108","Pyroxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyroxamide","pyroxamide","C1=CC(=CN=C1)NC(=O)CCCCCCC(=O)NO","PTJGLFIIZFVFJV-UHFFFAOYSA-N",4996,NA,"PDBC03108","696085","Present",NA,NA
+"3109","Rabeprazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rabeprazole","CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCOC","YREYEVIYCVEVJK-UHFFFAOYSA-N",5029,NA,"PDBC03109",NA,"Present",NA,NA
+"3110","Raclopride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"raclopride","CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)O","WAOQONBSWFLFPE-VIFPVBQESA-N",3033769,NA,"PDBC03110",NA,"Present",NA,NA
+"3111","Radezolid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"radezolid","CC(=O)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)C3=CC=C(C=C3)CNCC4=NNN=C4)F","BTTNOGHPGJANSW-IBGZPJMESA-N",11224409,NA,"PDBC03111",NA,"Present",NA,NA
+"3112","Raltitrexed",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Raltitrexed","raltitrexed","CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)N1","IVTVGDXNLFLDRM-HNNXBMFYSA-N",135400182,NA,"PDBC03112","639186","Present",NA,NA
+"3113","Ramatroban",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ramatroban","C1CC2=C(CC1NS(=O)(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4N2CCC(=O)O","LDXDSHIEDAPSSA-OAHLLOKOSA-N",123879,NA,"PDBC03113",NA,"Present",NA,NA
+"3114","Resatorvid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"resatorvid","CCOC(=O)C1=CCCCC1S(=O)(=O)NC2=C(C=C(C=C2)F)Cl","LEEIJTHMHDMWLJ-CQSZACIVSA-N",11703255,NA,"PDBC03114",NA,"Present",NA,NA
+"3115","Resiquimod",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"resiquimod","CCOCC1=NC2=C(N1CC(C)(C)O)C3=CC=CC=C3N=C2N","BXNMTOQRYBFHNZ-UHFFFAOYSA-N",159603,NA,"PDBC03115",NA,"Present",NA,NA
+"3116","Resminostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"resminostat","CN(C)CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C=CC(=O)NO","FECGNJPYVFEKOD-VMPITWQZSA-N",11609955,NA,"PDBC03116",NA,"Present",NA,NA
+"3117","Physcion",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"physcion","rheochrysidin","CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OC","FFWOKTFYGVYKIR-UHFFFAOYSA-N",10639,NA,"PDBC03117","251670","Present",NA,NA
+"3118","Xylitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ribitol","C(C(C(C(CO)O)O)O)O","HEBKCHPVOIAQTA-NGQZWQHPSA-N",6912,NA,"PDBC03118",NA,"Present",NA,NA
+"3119","Riociguat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"riociguat","CN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC","WXXSNCNJFUAIDG-UHFFFAOYSA-N",11304743,NA,"PDBC03119",NA,"Present",NA,NA
+"3120","Rociletinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CO-1686///Rociletinib","rociletinib","CC(=O)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)NC4=CC(=CC=C4)NC(=O)C=C)C(F)(F)F)OC","HUFOZJXAKZVRNJ-UHFFFAOYSA-N",57335384,NA,"PDBC03120","779405///800872","Present",NA,NA
+"3121","Roquinimex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"roquinimex","CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O","SGOOQMRIPALTEL-UHFFFAOYSA-N",54676478,NA,"PDBC03121",NA,"Present",NA,NA
+"3122","Rubitecan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rubitecan","CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5[N+](=O)[O-])N=C4C3=C2)O","VHXNKPBCCMUMSW-FQEVSTJZSA-N",472335,NA,"PDBC03122",NA,"Present",NA,NA
+"3123","4-Butylresorcinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rucinol","CCCCC1=C(C=C(C=C1)O)O","CSHZYWUPJWVTMQ-UHFFFAOYSA-N",205912,NA,"PDBC03123",NA,"Present",NA,NA
+"3124","Rutin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rutin","CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O","IKGXIBQEEMLURG-NVPNHPEKSA-N",5280805,NA,"PDBC03124",NA,"Present",NA,NA
+"3125","Ryuvidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ryuvidine","CC1=CC=C(C=C1)NC2=CC(=O)C3=C(C2=O)N=C(S3)C","HFPLHASLIOXVGS-UHFFFAOYSA-N",481747,NA,"PDBC03125",NA,"Present",NA,NA
+"3126","Salidroside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salidroside","C1=CC(=CC=C1CCOC2C(C(C(C(O2)CO)O)O)O)O","ILRCGYURZSFMEG-RKQHYHRCSA-N",159278,NA,"PDBC03126",NA,"Present",NA,NA
+"3127","Salinomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757437","salinomycin","CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O","KQXDHUJYNAXLNZ-XQSDOZFQSA-N",3085092,NA,"PDBC03127","757437","Present",NA,NA
+"3128","Salvianolic acid B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salvianolic-acid-B","C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=C3C(C(OC3=C(C=C2)O)C4=CC(=C(C=C4)O)O)C(=O)OC(CC5=CC(=C(C=C5)O)O)C(=O)O)O)O","SNKFFCBZYFGCQN-PDVBOLEISA-N",11629084,NA,"PDBC03128",NA,"Present",NA,NA
+"3129","Salvinorin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salvinorin-a","CC(=O)OC1CC(C2(CCC3C(=O)OC(CC3(C2C1=O)C)C4=COC=C4)C)C(=O)OC","OBSYBRPAKCASQB-AGQYDFLVSA-N",128563,NA,"PDBC03129",NA,"Present",NA,NA
+"3130","Sangivamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sangivamycin","C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)N","OBZJZDHRXBKKTJ-JTFADIMSSA-N",14978,NA,"PDBC03130",NA,"Present",NA,NA
+"3131","Sarafloxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sarafloxacin","C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F","XBHBWNFJWIASRO-UHFFFAOYSA-N",56208,NA,"PDBC03131",NA,"Present",NA,NA
+"3132","Satraplatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"satraplatin","CC(=O)O.CC(=O)O.C1CCC(CC1)N.N.Cl[Pt]Cl","TWEQNPPRXJRHHM-UHFFFAOYSA-L",6918220,NA,"PDBC03132",NA,"Present",NA,NA
+"3133","Saxagliptin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"saxagliptin","C1C2CC2N(C1C#N)C(=O)C(C34CC5CC(C3)CC(C5)(C4)O)N","QGJUIPDUBHWZPV-SGTAVMJGSA-N",11243969,NA,"PDBC03133",NA,"Present",NA,NA
+"3134","Sclareol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sclareol","CC1(CCCC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C","XVULBTBTFGYVRC-HHUCQEJWSA-N",163263,NA,"PDBC03134",NA,"Present",NA,NA
+"3135","Se-methylselenocysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"se-methylselenocysteine","C[Se]CC(C(=O)O)N","XDSSPSLGNGIIHP-VKHMYHEASA-N",147004,NA,"PDBC03135",NA,"Present",NA,NA
+"3136","Secnidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"secnidazole","CC1=NC=C(N1CC(C)O)[N+](=O)[O-]","KPQZUUQMTUIKBP-UHFFFAOYSA-N",71815,NA,"PDBC03136",NA,"Present",NA,NA
+"3137","Selamectin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"selamectin","CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)O)OC)C)OC1C7CCCCC7","AFJYYKSVHJGXSN-XHKIUTQPSA-N",9578507,NA,"PDBC03137",NA,"Present",NA,NA
+"3138","Selinexor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Selinexor","KPT-330",NA,"selinexor","selinexor",NA,NA,71481097,NA,"PDBC03138","780203","Present",NA,NA
+"3139","Semaxanib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Semaxanib","semaxanib","CC1=CC(=C(N1)C=C2C3=CC=CC=C3NC2=O)C","WUWDLXZGHZSWQZ-WQLSENKSSA-N",5329098,NA,"PDBC03139","696819","Present",NA,NA
+"3140","Sertindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sertindole",NA,"sertindole","C1CN(CCC1C2=CN(C3=C2C=C(C=C3)Cl)C4=CC=C(C=C4)F)CCN5CCNC5=O","GZKLJWGUPQBVJQ-UHFFFAOYSA-N",60149,NA,"PDBC03140",NA,"Present",NA,NA
+"3141","Sevelamer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sevelamer","C=CCN.C1C(O1)CCl","ZNSIZMQNQCNRBW-UHFFFAOYSA-N",3085017,NA,"PDBC03141",NA,"Present",NA,NA
+"3142","Sevoflurane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sevoflurane","C(OC(C(F)(F)F)C(F)(F)F)F","DFEYYRMXOJXZRJ-UHFFFAOYSA-N",5206,NA,"PDBC03142",NA,"Present",NA,NA
+"3143","Sobetirome",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sobetirome","CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)C(C)C)C)OCC(=O)O","QNAZTOHXCZPOSA-UHFFFAOYSA-N",9862248,NA,"PDBC03143",NA,"Present",NA,NA
+"3144","Sodium glucoheptonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sodium-glucoheptonate","C(C(C(C(C(C(C(=O)[O-])O)O)O)O)O)O.[Na+]","FMYOMWCQJXWGEN-UHFFFAOYSA-M",517057,NA,"PDBC03144",NA,"Present",NA,NA
+"3145","Stibogluconic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sodium-stibogluconate","C(C(C1C2C(O[Sb](O2)(O1)O[Sb]34OC(C(O3)C(CO)O)C(O4)C(=O)O)C(=O)O)O)O.O.O","YVTOSJPXMJSKEV-XCCFGPONSA-N",90661669,NA,"PDBC03145",NA,"Present",NA,NA
+"3146","Tanshinone iia sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sodium-tanshinone-ii-a-sulfonate","CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S(=O)(=O)O","UJCACMLMPLLRGW-UHFFFAOYSA-N",125782,NA,"PDBC03146",NA,"Present",NA,NA
+"3147","Sparfloxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sparfloxacin","CC1CN(CC(N1)C)C2=C(C(=C3C(=C2F)N(C=C(C3=O)C(=O)O)C4CC4)N)F","DZZWHBIBMUVIIW-DTORHVGOSA-N",60464,NA,"PDBC03147",NA,"Present",NA,NA
+"3148","Spermidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spermidine","C(CCNCCCN)CN","ATHGHQPFGPMSJY-UHFFFAOYSA-N",1102,NA,"PDBC03148",NA,"Present",NA,NA
+"3149","Spermine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spermine","C(CCNCCCN)CNCCCN","PFNFFQXMRSDOHW-UHFFFAOYSA-N",1103,NA,"PDBC03149",NA,"Present",NA,NA
+"3150","Sufentanil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sufentanil","CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC3=CC=CS3)COC","GGCSSNBKKAUURC-UHFFFAOYSA-N",41693,NA,"PDBC03150",NA,"Present",NA,NA
+"3151","Tacalcitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tacalcitol","CC(C)C(CCC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)O","BJYLYJCXYAMOFT-RSFVBTMBSA-N",5283734,NA,"PDBC03151",NA,"Present",NA,NA
+"3152","D-Tagatose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tagatose","C1C(C(C(C(O1)(CO)O)O)O)O","LKDRXBCSQODPBY-OEXCPVAWSA-N",439312,NA,"PDBC03152",NA,"Present",NA,NA
+"3153","Talmapimod",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Talmapimod","talmapimod","CC1CN(C(CN1C(=O)C2=C(C=C3C(=C2)C(=CN3C)C(=O)C(=O)N(C)C)Cl)C)CC4=CC=C(C=C4)F","ZMELOYOKMZBMRB-DLBZAZTESA-N",9871074,NA,"PDBC03153","777446","Present",NA,NA
+"3154","Taltirelin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"taltirelin","CN1C(=O)CC(NC1=O)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N","LQZAIAZUDWIVPM-SRVKXCTJSA-N",114750,NA,"PDBC03154",NA,"Present",NA,NA
+"3155","Taltobulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"taltobulin","CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C(C(C)(C)C1=CC=CC=C1)NC","CNTMOLDWXSVYKD-PSRNMDMQSA-N",6918637,NA,"PDBC03155",NA,"Present",NA,NA
+"3156","Tamibarotene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tamibarotene","tamibarotene","CC1(CCC(C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(=O)O)(C)C)C","MUTNCGKQJGXKEM-UHFFFAOYSA-N",108143,NA,"PDBC03156","608000","Present",NA,NA
+"3157","Tanaproget",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tanaproget","CC1(C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC(=S)O1)C","PYVFWTPEBMRKSR-UHFFFAOYSA-N",4369524,NA,"PDBC03157",NA,"Present",NA,NA
+"3158","Tanshinone I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tanshinone-i","CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C4=C3OC=C4C","AIGAZQPHXLWMOJ-UHFFFAOYSA-N",114917,NA,"PDBC03158",NA,"Present",NA,NA
+"3159","Tasisulam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tasisulam","C1=CC(=C(C=C1Cl)Cl)C(=O)NS(=O)(=O)C2=CC=C(S2)Br","WWONFUQGBVOKOF-UHFFFAOYSA-N",10160238,NA,"PDBC03159",NA,"Present",NA,NA
+"3160","Taurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-due","taurine","C(CS(=O)(=O)O)N","XOAAWQZATWQOTB-UHFFFAOYSA-N",1123,NA,"PDBC03160","32428","Present",NA,NA
+"3161","Tazemetostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E-7438","tazemetostat","CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C4=CC=C(C=C4)CN5CCOCC5","NSQSAUGJQHDYNO-UHFFFAOYSA-N",66558664,NA,"PDBC03161","777109","Present",NA,NA
+"3162","Tecastemizole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tecastemizole","C1CNCCC1NC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F","SFOVDSLXFUGAIV-UHFFFAOYSA-N",123618,NA,"PDBC03162",NA,"Present",NA,NA
+"3163","Tedizolid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tedizolid///tedizolid-phosphate","CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)CO)F","XFALPSLJIHVRKE-GFCCVEGCSA-N",11234049,NA,"PDBC03163",NA,"Present",NA,NA
+"3164","Telatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776017///NSC800944","telatinib","CNC(=O)C1=NC=CC(=C1)COC2=NN=C(C3=C2OC=C3)NC4=CC=C(C=C4)Cl","QFCXANHHBCGMAS-UHFFFAOYSA-N",9808844,NA,"PDBC03164","776017///800944","Present",NA,NA
+"3165","Telotristat ethyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"telotristat-ethyl","CCOC(=O)C(CC1=CC=C(C=C1)C2=CC(=NC(=N2)N)OC(C3=C(C=C(C=C3)Cl)N4C=CC(=N4)C)C(F)(F)F)N","MDSQOJYHHZBZKA-GBXCKJPGSA-N",25181577,NA,"PDBC03165",NA,"Present",NA,NA
+"3166","Temazepam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"temazepam","CN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)O)C3=CC=CC=C3","SEQDDYPDSLOBDC-UHFFFAOYSA-N",5391,NA,"PDBC03166",NA,"Present",NA,NA
+"3167","Temocapril",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"temocapril","CCOC(=O)C(CCC1=CC=CC=C1)NC2CSC(CN(C2=O)CC(=O)O)C3=CC=CS3","FIQOFIRCTOWDOW-BJLQDIEVSA-N",443874,NA,"PDBC03167",NA,"Present",NA,NA
+"3168","Temoporfin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"temoporfin","C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O","LYPFDBRUNKHDGX-UHFFFAOYSA-N",60751,NA,"PDBC03168",NA,"Present",NA,NA
+"3169","Tepoxalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tepoxalin","CN(C(=O)CCC1=NN(C(=C1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)O","XYKWNRUXCOIMFZ-UHFFFAOYSA-N",59757,NA,"PDBC03169",NA,"Present",NA,NA
+"3170","Teprenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"teprenone","CC(=CCCC(=CCCC(=CCCC(=CCCC(=O)C)C)C)C)C","HUCXKZBETONXFO-NJFMWZAGSA-N",5282199,NA,"PDBC03170",NA,"Present",NA,NA
+"3171","Teriflunomide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Teriflunomide","teriflunomide","CC(=C(C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F)O","UTNUDOFZCWSZMS-YFHOEESVSA-N",54684141,NA,"PDBC03171","766118","Present",NA,NA
+"3172","Triglycidyl isocyanurate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Teroxirone///triglycidylisocyanurate","teroxirone","C1C(O1)CN2C(=O)N(C(=O)N(C2=O)CC3CO3)CC4CO4","OUPZKGBUJRBPGC-UHFFFAOYSA-N",17142,NA,"PDBC03172","296934///296964","Present",NA,NA
+"3173","tetrahydropapaverine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrahydropapaverine","COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)OC","YXWQTVWJNHKSCC-UHFFFAOYSA-N",5418,NA,"PDBC03173",NA,"Present",NA,NA
+"3174","TETRAHYDROURIDINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TETRAHYDROURIDINE","tetrahydrouridine","C1CN(C(=O)NC1O)C2C(C(C(O2)CO)O)O","UCKYOOZPSJFJIZ-UHFFFAOYSA-N",270480,NA,"PDBC03174","112907","Present",NA,NA
+"3175","Tetramethylthiuram monosulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetramethylthiuram-monosulfide","CN(C)C(=S)SC(=S)N(C)C","REQPQFUJGGOFQL-UHFFFAOYSA-N",7347,NA,"PDBC03175",NA,"Present",NA,NA
+"3176","Tezacaftor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tezacaftor","CC(C)(CO)C1=CC2=CC(=C(C=C2N1CC(CO)O)F)NC(=O)C3(CC3)C4=CC5=C(C=C4)OC(O5)(F)F","MJUVRTYWUMPBTR-MRXNPFEDSA-N",46199646,NA,"PDBC03176",NA,"Present",NA,NA
+"3177","Thimerosal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiomersal","CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]","RTKIYNMVFMVABJ-UHFFFAOYSA-L",16684434,NA,"PDBC03177",NA,"Present",NA,NA
+"3178","Thiram",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC1771///NSC49512///Thioperoxydicarbonic diamide, tetramethyl-","thiram","CN(C)C(=S)SSC(=S)N(C)C","KUAZQDVKQLNFPE-UHFFFAOYSA-N",5455,NA,"PDBC03178","1771///49512///622696","Present",NA,NA
+"3179","Thonzonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thonzonium","CCCCCCCCCCCCCCCC[N+](C)(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2","IOYZYMQFUSNATM-UHFFFAOYSA-N",5456,NA,"PDBC03179",NA,"Present",NA,NA
+"3180","Tiagabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tiagabine","CC1=C(SC=C1)C(=CCCN2CCCC(C2)C(=O)O)C3=C(C=CS3)C","PBJUNZJWGZTSKL-MRXNPFEDSA-N",60648,NA,"PDBC03180",NA,"Present",NA,NA
+"3181","Tideglusib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tideglusib","C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43","PMJIHLSCWIDGMD-UHFFFAOYSA-N",11313622,NA,"PDBC03181",NA,"Present",NA,NA
+"3182","Tilmicosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tilmicosin","CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CC(CC(C3)C)C)C)C)COC4C(C(C(C(O4)C)O)OC)OC","JTSDBFGMPLKDCD-XVFHVFLVSA-N",5282521,NA,"PDBC03182",NA,"Present",NA,NA
+"3183","Tiludronic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tiludronate","C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)(O)O)Cl","DKJJVAGXPKPDRL-UHFFFAOYSA-N",60937,NA,"PDBC03183",NA,"Present",NA,NA
+"3184","Tiotidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tiotidine","CN=C(NCCSCC1=CSC(=N1)N=C(N)N)NC#N","YDDXVAXDYKBWDX-UHFFFAOYSA-N",50287,NA,"PDBC03184",NA,"Present",NA,NA
+"3185","Tioxolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tioxolone","C1=CC2=C(C=C1O)OC(=O)S2","SLYPOVJCSQHITR-UHFFFAOYSA-N",72139,NA,"PDBC03185",NA,"Present",NA,NA
+"3186","Tipiracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tipiracil","C1CC(=N)N(C1)CC2=C(C(=O)NC(=O)N2)Cl","QQHMKNYGKVVGCZ-UHFFFAOYSA-N",6323266,NA,"PDBC03186",NA,"Present",NA,NA
+"3187","Tipranavir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tipranavir","CCCC1(CC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4","SUJUHGSWHZTSEU-FYBSXPHGSA-N",54682461,NA,"PDBC03187",NA,"Present",NA,NA
+"3188","Tirapazamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tirapazamine","tirapazamine","C1=CC=C2C(=C1)N(C(=N[N+]2=O)N)O","QENGMPDKFVBFSH-UHFFFAOYSA-N",54724399,NA,"PDBC03188","130181","Present",NA,NA
+"3189","Tofogliflozin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tofogliflozin","CCC1=CC=C(C=C1)CC2=CC3=C(COC34C(C(C(C(O4)CO)O)O)O)C=C2","VWVKUNOPTJGDOB-BDHVOXNPSA-N",46908929,NA,"PDBC03189",NA,"Present",NA,NA
+"3190","Torcetrapib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"torcetrapib","CCC1CC(C2=C(N1C(=O)OCC)C=CC(=C2)C(F)(F)F)N(CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC","CMSGWTNRGKRWGS-NQIIRXRSSA-N",159325,NA,"PDBC03190",NA,"Present",NA,NA
+"3191","Toremifene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"toremifene","CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3","XFCLJVABOIYOMF-QPLCGJKRSA-N",3005573,NA,"PDBC03191",NA,"Present",NA,NA
+"3192","Torin 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"torin-1","CCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C=CC4=CN=C5C=CC(=CC5=C43)C6=CC7=CC=CC=C7N=C6)C(F)(F)F","AKCRNFFTGXBONI-UHFFFAOYSA-N",49836027,NA,"PDBC03192",NA,"Present",NA,NA
+"3193","Tranilast",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tranilast","COC1=C(C=C(C=C1)C=CC(=O)NC2=CC=CC=C2C(=O)O)OC","NZHGWWWHIYHZNX-CSKARUKUSA-N",5282230,NA,"PDBC03193",NA,"Present",NA,NA
+"3194","4-Hydroxycrotonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-4-Hydroxycrotonic-acid","C(C=CC(=O)O)O","RMQJECWPWQIIPW-OWOJBTEDSA-N",6155526,NA,"PDBC03194",NA,"Present",NA,NA
+"3195","Trequinsin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trequinsin","CC1=CC(=C(C(=C1)C)N=C2C=C3C4=CC(=C(C=C4CCN3C(=O)N2C)OC)OC)C","MCMSJVMUSBZUCN-UHFFFAOYSA-N",5537,NA,"PDBC03195",NA,"Present",NA,NA
+"3196","Triamcinolone acetonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triamcinolone-acetonide","CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C","YNDXUCZADRHECN-JNQJZLCISA-N",6436,NA,"PDBC03196",NA,"Present",NA,NA
+"3197","Triclabendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triclabendazole","CSC1=NC2=CC(=C(C=C2N1)Cl)OC3=C(C(=CC=C3)Cl)Cl","NQPDXQQQCQDHHW-UHFFFAOYSA-N",50248,NA,"PDBC03197",NA,"Present",NA,NA
+"3198","Trimebutine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trimebutine","CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C","LORDFXWUHHSAQU-UHFFFAOYSA-N",5573,NA,"PDBC03198",NA,"Present",NA,NA
+"3199","2-Amino-2-hydroxymethyl-propane-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trometamol","C(C(CO)(CO)N)O","LENZDBCJOHFCAS-UHFFFAOYSA-N",6503,NA,"PDBC03199",NA,"Present",NA,NA
+"3200","Tropisetron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tropisetron","CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43","ZNRGQMMCGHDTEI-FUNVUKJBSA-N",656665,NA,"PDBC03200",NA,"Present",NA,NA
+"3201","Trovafloxacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trovafloxacin","C1C2C(C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F","WVPSKSLAZQPAKQ-SOSAQKQKSA-N",62959,NA,"PDBC03201",NA,"Present",NA,NA
+"3202","Indolo[2,1-b]quinazoline-6,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tryptanthrin","tryptanthrin","C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=O)C3=N2","VQQVWGVXDIPORV-UHFFFAOYSA-N",73549,NA,"PDBC03202","349447","Present",NA,NA
+"3203","Tucatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764581///NSC799335","tucatinib","CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5","SDEAXTCZPQIFQM-UHFFFAOYSA-N",51039094,NA,"PDBC03203","764581///799335","Present",NA,NA
+"3204","Malonoben",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"malonoben","tyrphostin-A9","CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N","MZOPWQKISXCCTP-UHFFFAOYSA-N",5614,NA,"PDBC03204","242557","Present",NA,NA
+"3205","6,7-Dimethoxy-2-phenylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tyrphostin-AG-1296","COC1=C(C=C2C(=C1)N=CC(=N2)C3=CC=CC=C3)OC","QNOXYUNHIGOWNY-UHFFFAOYSA-N",2049,NA,"PDBC03205",NA,"Present",NA,NA
+"3206","Tyrphostin B48",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-494",NA,"tyrphostin-AG-494","C1=CC=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N","HKHOVJYOELRGMV-XYOKQWHBSA-N",5328771,NA,"PDBC03206",NA,"Present",NA,NA
+"3207","Tyrphostin A46",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638077","tyrphostin-AG-99","C1=CC(=C(C=C1C=C(C#N)C(=O)N)O)O","USOXQZNJFMKTKJ-XVNBXDOJSA-N",5328768,NA,"PDBC03207","638077","Present",NA,NA
+"3208","Ubenimex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bestatin hydrochloride","ubenimex","CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O","VGGGPCQERPFHOB-RDBSUJKOSA-N",72172,NA,"PDBC03208","779839","Present",NA,NA
+"3209","Ulipristal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ulipristal","CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)O","HKDLNTKNLJPAIY-WKWWZUSTSA-N",13559281,NA,"PDBC03209",NA,"Present",NA,NA
+"3210","Uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrod","uracil","C1=CNC(=O)NC1=O","ISAKRJDGNUQOIC-UHFFFAOYSA-N",1174,NA,"PDBC03210","3970","Present",NA,NA
+"3211","Uric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"uric-acid","C12=C(NC(=O)N1)NC(=O)NC2=O","LEHOTFFKMJEONL-UHFFFAOYSA-N",1175,NA,"PDBC03211",NA,"Present",NA,NA
+"3212","Uridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"uridine","C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","DRTQHJPVMGBUCF-XVFCMESISA-N",6029,NA,"PDBC03212",NA,"Present",NA,NA
+"3213","Usniacin-(+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"usniacin-(+)",NA,NA,NA,NA,"PDBC03213",NA,"Present",NA,NA
+"3214","Valnemulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"valnemulin","CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C","LLYYNOVSVPBRGV-MVNKZKPCSA-N",9850878,NA,"PDBC03214",NA,"Present",NA,NA
+"3215","Vatalanib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vatalanib (PTK787)",NA,"Vatalanib","Vatalanib","vatalanib",NA,NA,151194,NA,"PDBC03215","772499","Present",NA,NA
+"3216","Verubulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Varbulin","verubulin","CC1=NC2=CC=CC=C2C(=N1)N(C)C3=CC=C(C=C3)OC","SNHCRNMVYDHVDT-UHFFFAOYSA-N",11414799,NA,"PDBC03216","758773","Present",NA,NA
+"3217","Vinblastine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vinblastine","CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O","JXLYSJRDGCGARV-CFWMRBGOSA-N",13342,NA,"PDBC03217",NA,"Present",NA,NA
+"3218","Vindesine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vindesine","CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O","HHJUWIANJFBDHT-KOTLKJBCSA-N",40839,NA,"PDBC03218",NA,"Present",NA,NA
+"3219","Javlor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vinflunine","CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CC7CC(CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C","NMDYYWFGPIMTKO-HBVLKOHWSA-N",6918295,NA,"PDBC03219",NA,"Present",NA,NA
+"3220","Volasertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Volasertib (BI-6727)","Volasertib (plk1 inh)*(BL6727)",NA,"Volasertib","volasertib",NA,NA,10461508,NA,"PDBC03220","800965///757149","Present",NA,NA
+"3221","Vosaroxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Voreloxin","voreloxin","CNC1CN(CC1OC)C2=NC3=C(C=C2)C(=O)C(=CN3C4=NC=CS4)C(=O)O","XZAFZXJXZHRNAQ-STQMWFEESA-N",9952884,NA,"PDBC03221","760764","Present",NA,NA
+"3222","Voxtalisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SAR-245409","voxtalisib","CCN1C2=NC(=NC(=C2C=C(C1=O)C3=CC=NN3)C)N","RGHYDLZMTYDBDT-UHFFFAOYSA-N",16123056,NA,"PDBC03222","791226","Present",NA,NA
+"3223","Warfarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"warfarin","CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O","PJVWKTKQMONHTI-UHFFFAOYSA-N",54678486,NA,"PDBC03223",NA,"Present",NA,NA
+"3224","Xanomeline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"xanomeline","CCCCCCOC1=NSN=C1C2=CCCN(C2)C","JOLJIIDDOBNFHW-UHFFFAOYSA-N",60809,NA,"PDBC03224",NA,"Present",NA,NA
+"3225","Xilobam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"xilobam","CC1=C(C(=CC=C1)C)NC(=O)N=C2CCCN2C","PAXRPWSXCPTPCA-UHFFFAOYSA-N",39689,NA,"PDBC03225",NA,"Present",NA,NA
+"3226","Zaldaride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zaldaride","CC1(C2=CC=CN2C3=CC=CC=C3CO1)CN4CCC(CC4)N5C6=CC=CC=C6NC5=O","HTGCJAAPDHZCHL-UHFFFAOYSA-N",65909,NA,"PDBC03226",NA,"Present",NA,NA
+"3227","Zaleplon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zaleplon","CCN(C1=CC=CC(=C1)C2=CC=NC3=C(C=NN23)C#N)C(=O)C","HUNXMJYCHXQEGX-UHFFFAOYSA-N",5719,NA,"PDBC03227",NA,"Present",NA,NA
+"3228","Ziprasidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ziprasidone","C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54","MVWVFYHBGMAFLY-UHFFFAOYSA-N",60854,NA,"PDBC03228",NA,"Present",NA,NA
+"3229","Zolantidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zolantidine","C1CCN(CC1)CC2=CC(=CC=C2)OCCCNC3=NC4=CC=CC=C4S3","KUBONGDXTUOOLM-UHFFFAOYSA-N",91769,NA,"PDBC03229",NA,"Present",NA,NA
+"3230","Zolmitriptan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zolmitriptan","CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3","ULSDMUVEXKOYBU-ZDUSSCGKSA-N",60857,NA,"PDBC03230",NA,"Present",NA,NA
+"3231","""""""""""""""""Ether-20""""""""""""""""",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"""""""""""""""""Ether-20""""""""""""""""",NA,NA,NA,NA,NA,"PDBC03231","676532","Present",NA,NA
+"3232","((((2-(Hydroxy(oxido)amino)-4,5-dimethoxybenzyl)oxy)carbonyl)anilino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((((2-(Hydroxy(oxido)amino)-4,5-dimethoxybenzyl)oxy)carbonyl)anilino)acetic acid",NA,"COC1=C(C=C(C(=C1)COC(=O)N(CC(=O)O)C2=CC=CC=C2)[N+](=O)[O-])OC","JDYVLIMGUYDXMH-UHFFFAOYSA-N",375630,NA,"PDBC03232","655452","Present",NA,NA
+"3233","((((4-Cyanophenyl)imino)(1-naphthylamino)methyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((((4-Cyanophenyl)imino)(1-naphthylamino)methyl)amino)acetic acid",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=NCC(=O)O)NC3=CC=C(C=C3)C#N","ZIBNPJVIVGAAMD-UHFFFAOYSA-N",378568,NA,"PDBC03233","661208","Present",NA,NA
+"3234","((((4-Cyanophenyl)imino)(2-naphthylamino)methyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((((4-Cyanophenyl)imino)(2-naphthylamino)methyl)amino)acetic acid",NA,"C1=CC=C2C=C(C=CC2=C1)NC(=NCC(=O)O)NC3=CC=C(C=C3)C#N","FRSPBOBJXMHBDQ-UHFFFAOYSA-N",378574,NA,"PDBC03234","661214","Present",NA,NA
+"3235","(((1-(Benzylthio)cyclopentyl)thio)methyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((1-(Benzylthio)cyclopentyl)thio)methyl)benzene",NA,"C1CCC(C1)(SCC2=CC=CC=C2)SCC3=CC=CC=C3","PQHMYYKJZLCSJD-UHFFFAOYSA-N",379229,NA,"PDBC03235","663644","Present",NA,NA
+"3236","(((2-Chloro-2-(1,2,2-trichlorovinyl)cyclopropyl)methoxy)methyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((2-Chloro-2-(1,2,2-trichlorovinyl)cyclopropyl)methoxy)methyl)benzene",NA,"C1C(C1(C(=C(Cl)Cl)Cl)Cl)COCC2=CC=CC=C2","WLHDJGPWRKGCGB-UHFFFAOYSA-N",370751,NA,"PDBC03236","644274","Present",NA,NA
+"3237","(((3,3-Bis(benzylthio)propyl)thio)methyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((3,3-Bis(benzylthio)propyl)thio)methyl)benzene",NA,"C1=CC=C(C=C1)CSCCC(SCC2=CC=CC=C2)SCC3=CC=CC=C3","NOYHOWXRNVFLBW-UHFFFAOYSA-N",377596,NA,"PDBC03237","659170","Present",NA,NA
+"3238","(((4-((Iodoacetyl)amino)phenyl)sulfonyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((4-((Iodoacetyl)amino)phenyl)sulfonyl)amino)acetic acid",NA,"C1=CC(=CC=C1NC(=O)CI)S(=O)(=O)NCC(=O)O","SQVMGKNIRPKOGA-UHFFFAOYSA-N",362835,NA,"PDBC03238","627206","Present",NA,NA
+"3239","(((4-(Benzylamino)phenyl)sulfonyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((4-(Benzylamino)phenyl)sulfonyl)amino)acetic acid",NA,"C1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O","JMLOZBITCCBZRH-UHFFFAOYSA-N",362689,NA,"PDBC03239","626928","Present",NA,NA
+"3240","(((5-(4-Isopropylphenyl)-3-methyl-2-cyclohexen-1-ylidene)amino)oxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((5-(4-Isopropylphenyl)-3-methyl-2-cyclohexen-1-ylidene)amino)oxy)acetic acid",NA,"CC1=CC(=NOCC(=O)O)CC(C1)C2=CC=C(C=C2)C(C)C","YGNVPFIQWFVWQL-HTXNQAPBSA-N",5351431,NA,"PDBC03240","680506","Present",NA,NA
+"3241","(((Cyclohexylamino)carbothioyl)hydrazono)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(cyclohexylcarbamothioylhydrazono)acetic acid",NA,"C1CCC(CC1)NC(=S)NN=CC(=O)O","GBVAPSKLJPLCSD-UXBLZVDNSA-N",9571645,NA,"PDBC03241","694516","Present",NA,NA
+"3242","(((Methylamino)carbonyl)(2-(methylamino)-2-oxoethyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((Methylamino)carbonyl)(2-(methylamino)-2-oxoethyl)amino)acetic acid",NA,"CNC(=O)CN(CC(=O)O)C(=O)NC","XMFGVCKMIYIRNP-UHFFFAOYSA-N",373588,NA,"PDBC03242","650041","Present",NA,NA
+"3243","((1,6,6-Tris(phenylthio)hexyl)thio)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((1,6,6-Tris(phenylthio)hexyl)thio)benzene",NA,"C1=CC=C(C=C1)SC(CCCCC(SC2=CC=CC=C2)SC3=CC=CC=C3)SC4=CC=CC=C4","PGHLNEUCLBTEGA-UHFFFAOYSA-N",361789,NA,"PDBC03243","625061","Present",NA,NA
+"3244","((1-(Diethoxymethyl)propyl)seleno)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((1-(Diethoxymethyl)propyl)seleno)benzene",NA,"CCC(C(OCC)OCC)[Se]C1=CC=CC=C1","GLSPLBKTSFKIMR-UHFFFAOYSA-N",371756,NA,"PDBC03244","646199","Present",NA,NA
+"3245","((1-(Phenylsulfonyl)butyl)sulfonyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((1-(Phenylsulfonyl)butyl)sulfonyl)benzene",NA,"CCCC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2","HTYGKSFOCUSELO-UHFFFAOYSA-N",363330,NA,"PDBC03245","628187","Present",NA,NA
+"3246","((1-(Phenylthio)cyclopentyl)thio)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((1-(Phenylthio)cyclopentyl)thio)benzene",NA,"C1CCC(C1)(SC2=CC=CC=C2)SC3=CC=CC=C3","OBNWGSMVMSYZDT-UHFFFAOYSA-N",361769,NA,"PDBC03246","625035","Present",NA,NA
+"3247","((1-Benzyl-1H-benzimidazol-2-yl)hydrazono)(4-methoxyphenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((1-Benzyl-1H-benzimidazol-2-yl)hydrazono)(4-methoxyphenyl)acetic acid",NA,"COC1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3N2CC4=CC=CC=C4)C(=O)O","NUYWXJHDVSRKJI-DAFNUICNSA-N",6297144,NA,"PDBC03247","679198","Present",NA,NA
+"3248","((1-Benzyl-1H-pyrrol-3-yl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((1-Benzyl-1H-pyrrol-3-yl)thio)acetic acid",NA,"C1=CC=C(C=C1)CN2C=CC(=C2)SCC(=O)O","BDTDUMYBCTVDNO-UHFFFAOYSA-N",286555,NA,"PDBC03248","145014","Present",NA,NA
+"3249","((1-Phenylethylidene)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((1-Phenylethylidene)amino)acetic acid",NA,"CC(=NCC(=O)O)C1=CC=CC=C1","HOWNYMIEBNTOBI-UHFFFAOYSA-N",276779,NA,"PDBC03249","125214","Present",NA,NA
+"3250","((1H-Indol-3-ylmethyl)(methyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.641.548G",NA,"CN(CC1=CNC2=CC=CC=C21)CC(=O)O","FVFABLMIDGFSCG-UHFFFAOYSA-N",262701,NA,"PDBC03250","96606","Present",NA,NA
+"3251","((2,2-Bis(methylthio)butoxy)(methyl)amino)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((2,2-Bis(methylthio)butoxy)(methyl)amino)benzene",NA,"CCC(CON(C)C1=CC=CC=C1)(SC)SC","CUENWTJXISDISG-UHFFFAOYSA-N",392958,NA,"PDBC03251","694172","Present",NA,NA
+"3252","((2,4,6-Triamino-1-oxido-1,2-dihydro-5-pyrimidinyl)amino)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((2,4,6-Triamino-1-oxido-1,2-dihydro-5-pyrimidinyl)amino)methanol",NA,"C(NC1=C(N=C([N+](=C1N)[O-])N)N)O","AYJGVWFCMWLMHL-UHFFFAOYSA-N",135451591,NA,"PDBC03252","116200","Present",NA,NA
+"3253","((2-(((((1-(2-((2-((Tert-Butoxycarbonyl)amino)-3-methylbutanoyl)amino)propanoyl)-2-pyrrolidinyl)carbonyl)amino)acetyl)amino)-3-methylbutanoyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-Methyl-2-[[2-[[1-[2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]acetic acid",NA,"CC(C)C(C(=O)NCC(=O)O)NC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C","DEFDYMQCMVQUGN-UHFFFAOYSA-N",381423,NA,"PDBC03253","668011","Present",NA,NA
+"3254","((2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl)thio)acetic acid",NA,"C1CC2=C(C=CC3=C2C1=CC=C3)NC(=O)CSCC(=O)O","IFCZOPLMDAGMMV-UHFFFAOYSA-N",387860,NA,"PDBC03254","682071","Present",NA,NA
+"3255","((2-(1-Cyclopenten-1-yloxy)-2-ethoxy-1-methylethyl)seleno)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((2-(1-Cyclopenten-1-yloxy)-2-ethoxy-1-methylethyl)seleno)benzene",NA,"CCOC(C(C)[Se]C1=CC=CC=C1)OC2=CCCC2","MIRPPMPAFXJOPI-UHFFFAOYSA-N",371753,NA,"PDBC03255","646196","Present",NA,NA
+"3256","((2-(2-Ethoxy-2-oxoethyl)-1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzisothiazol-4-yl)amino)(oxo)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(2-Ethoxy-2-oxo-ethyl)-1,1,3-trioxo-1,2-benzothiazol-4-yl]amino]-2-oxo-acetic acid",NA,"CCOC(=O)CN1C(=O)C2=C(C=CC=C2S1(=O)=O)NC(=O)C(=O)O","HGLWVSUTSXWNHW-UHFFFAOYSA-N",394320,NA,"PDBC03256","697689","Present",NA,NA
+"3257","((2-(2-Ethoxy-2-oxoethyl)-1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzisothiazol-6-yl)amino)(oxo)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(2-Ethoxy-2-oxo-ethyl)-1,1,3-trioxo-1,2-benzothiazol-6-yl]amino]-2-oxo-acetic acid",NA,"CCOC(=O)CN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)NC(=O)C(=O)O","MMUSFSVEJDENGI-UHFFFAOYSA-N",394319,NA,"PDBC03257","697688","Present",NA,NA
+"3258","((2-(3-Ethoxy-3-oxopropyl)-1,1-dioxido-3-oxo-2,3-dihydro-1,2-benzisothiazol-4-yl)amino)(oxo)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(3-Ethoxy-3-oxo-propyl)-1,1,3-trioxo-1,2-benzothiazol-4-yl]amino]-2-oxo-acetic acid",NA,"CCOC(=O)CCN1C(=O)C2=C(C=CC=C2S1(=O)=O)NC(=O)C(=O)O","FUBIMEAKXWRPEJ-UHFFFAOYSA-N",394321,NA,"PDBC03258","697690","Present",NA,NA
+"3259","((2-Amino-3-(5-hydroxy-2-pyridinyl)propanoyl)amino)(phenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((2-Amino-3-(5-hydroxy-2-pyridinyl)propanoyl)amino)(phenyl)acetic acid",NA,"C1=CC=C(C=C1)C(C(=O)O)NC(=O)C(CC2=NC=C(C=C2)O)N","ZOTHKOWIVRGSGV-UHFFFAOYSA-N",385343,NA,"PDBC03259","676461","Present",NA,NA
+"3260","((2-Oxocyclohexyl)methyl)trimethylammonium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/BR9826000",NA,"C[N+](C)(C)CC1CCCCC1=O.[I-]","PMMPFMDOKGDFLC-UHFFFAOYSA-M",359483,NA,"PDBC03260","620462","Present",NA,NA
+"3261","((3,4,5-Trimethoxyphenyl)hydrazono)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((3,4,5-Trimethoxyphenyl)hydrazono)acetonitrile",NA,"COC1=CC(=CC(=C1OC)OC)NN=CC#N","XIFOCWFVNXGFGF-WLRTZDKTSA-N",9555950,NA,"PDBC03261","663616","Present",NA,NA
+"3262","((3-(2-Aminoethyl)-1H-indol-5-yl)oxy)(oxo)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((3-(2-Aminoethyl)-1H-indol-5-yl)oxy)(oxo)acetic acid",NA,"C1=CC2=C(C=C1OC(=O)C(=O)O)C(=CN2)CCN","YJKHKDHQOGQYPB-UHFFFAOYSA-N",271694,NA,"PDBC03262","115625","Present",NA,NA
+"3263","((4,4-Bis(phenylthio)butyl)thio)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((4,4-Bis(phenylthio)butyl)thio)benzene",NA,"C1=CC=C(C=C1)SCCCC(SC2=CC=CC=C2)SC3=CC=CC=C3","WTISTCGQFVAIAX-UHFFFAOYSA-N",361779,NA,"PDBC03263","625046","Present",NA,NA
+"3264","((4,5-Diamino-6-hydroxy-2-pyrimidinyl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((4,5-Diamino-6-hydroxy-2-pyrimidinyl)thio)acetic acid",NA,"C(C(=O)O)SC1=NC(=C(C(=O)N1)N)N","ZAGRWEOGHJROGH-UHFFFAOYSA-N",135403619,NA,"PDBC03264","339127","Present",NA,NA
+"3265","((4-(((Carboxy(phenyl)methyl)thio)carbothioyl)benzothioyl)thio)(phenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((4-(((Carboxy(phenyl)methyl)thio)carbothioyl)benzothioyl)thio)(phenyl)acetic acid",NA,"C1=CC=C(C=C1)C(C(=O)O)SC(=S)C2=CC=C(C=C2)C(=S)SC(C3=CC=CC=C3)C(=O)O","NILKISQEGXTVHI-UHFFFAOYSA-N",364076,NA,"PDBC03265","629715","Present",NA,NA
+"3266","((4-((6-Iodo-2-(2-thienyl)quinazolin-4-yl) amino)phenyl)sulfonyl)-2,5-thiazolylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((4-((6-Iodo-2-(2-thienyl)quinazolin-4-yl) amino)phenyl)...",NA,"C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=N2)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","ZHTREVGFEBGGPT-UHFFFAOYSA-N",404801,NA,"PDBC03266","721319","Present",NA,NA
+"3267","((4-Arsonobenzoyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-12639",NA,"C1=CC(=CC=C1C(=O)NCC(=O)O)[As](=O)(O)O","GINTWCWSADWWJZ-UHFFFAOYSA-N",224270,NA,"PDBC03267","12639","Present",NA,NA
+"3268","((4-Isothiocyanatophenyl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Isothiocyanatophenyl)sulfanylacetic acid",NA,"C1=CC(=CC=C1N=C=S)SCC(=O)O","HLGOGEXQKKWISO-UHFFFAOYSA-N",345648,NA,"PDBC03268","403376","Present",NA,NA
+"3269","((4-Methoxy-7-methyl-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((4-Methoxy-7-methyl-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid",NA,"CC1CCC2=C(C=CC(=C2C1=O)OCC(=O)O)OC","GMXSBODIWUQWRV-UHFFFAOYSA-N",361673,NA,"PDBC03269","624891","Present",NA,NA
+"3270","((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)(phenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)(phenyl)acetic acid",NA,"COC1=C2CCCC(=O)C2=C(C=C1)OC(C3=CC=CC=C3)C(=O)O","PNTGKJBORNEWEM-UHFFFAOYSA-N",361678,NA,"PDBC03270","624896","Present",NA,NA
+"3271","((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid",NA,"COC1=C2CCCC(=O)C2=C(C=C1)OCC(=O)O","GSTKUKVZSYDJND-UHFFFAOYSA-N",361617,NA,"PDBC03271","624802","Present",NA,NA
+"3272","((4-Methylphenyl)sulfonyl)(3-(1H-pyrazol-1-yl)-2-quinoxalinyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((4-Methylphenyl)sulfonyl)(3-(1H-pyrazol-1-yl)-2-quinoxalinyl)acetonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4C=CC=N4","UOFNOEFFNCNADQ-UHFFFAOYSA-N",375326,NA,"PDBC03272","654900","Present",NA,NA
+"3273","((5-((2-Methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((5-((2-Methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,"COC1=CC=CC=C1OCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)O","NKNXHWCBSIRIPQ-UHFFFAOYSA-N",373872,NA,"PDBC03273","650835","Present",NA,NA
+"3274","((5-(2-Hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((5-(2-Hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,"C1=CC=C(C(=C1)C2=NC(=NN2)SCC(=O)O)O","ORCNSSUJAAOUTO-UHFFFAOYSA-N",366164,NA,"PDBC03274","634491","Present",NA,NA
+"3275","((5-(2-Phenylvinyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[(E)-styryl]-4H-1,2,4-triazol-3-yl]sulfanyl]acetic acid",NA,"C1=CC=C(C=C1)C=CC2=NC(=NN2)SCC(=O)O","NOPYIUVWDWIAIV-VOTSOKGWSA-N",5388284,NA,"PDBC03275","634498","Present",NA,NA
+"3276","((5-(4-Hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((5-(4-Hydroxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,"C1=CC(=CC=C1C2=NC(=NN2)SCC(=O)O)O","POWPHPSSZCRRQZ-UHFFFAOYSA-N",362208,NA,"PDBC03276","625809","Present",NA,NA
+"3277","((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,"C1=CC=C(C=C1)CC2=NC(=NN2)SCC(=O)O","QEDGMCURIBDFME-UHFFFAOYSA-N",366172,NA,"PDBC03277","634499","Present",NA,NA
+"3278","((5-Oxo-2a,3,4,5-tetrahydro-2H-naphtho[1,8-bc]furan-6-yl)oxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(7-Oxo-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-trien-9-yl)oxy]acetic acid",NA,"C1CC(=O)C2=C(C=CC3=C2C1CO3)OCC(=O)O","MOHAHZFZIGKDJX-UHFFFAOYSA-N",361679,NA,"PDBC03278","624897","Present",NA,NA
+"3279","((5-Pentadecyl-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((5-Pentadecyl-4H-1,2,4-triazol-3-yl)thio)acetic acid",NA,"CCCCCCCCCCCCCCCC1=NC(=NN1)SCC(=O)O","VYKAKOWLDHDDHV-UHFFFAOYSA-N",366174,NA,"PDBC03279","634501","Present",NA,NA
+"3280","((6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)acetonitrile",NA,"C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SCC#N","MZLQMOFYMVOCJX-UHFFFAOYSA-N",383054,NA,"PDBC03280","671098","Present",NA,NA
+"3281","((7-(1,4-Dimethoxy-3-methyl-2-naphthyl)-5-methyl-5-heptenyl)oxy)(triisopropyl)silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((7-(1,4-Dimethoxy-3-methyl-2-naphthyl)-5-methyl-5-heptenyl)oxy)(triisopropyl)silane",NA,"CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCCCO[Si](C(C)C)(C(C)C)C(C)C)OC)OC","CNMWDIWBIUHHAI-HKOYGPOVSA-N",5469376,NA,"PDBC03281","687149","Present",NA,NA
+"3282","((7-Ethyl-4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((7-Ethyl-4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid",NA,"CCC1CCC2=C(C=CC(=C2C1=O)OCC(=O)O)OC","JNPDNMQAHDWJFN-UHFFFAOYSA-N",361604,NA,"PDBC03282","624789","Present",NA,NA
+"3283","((7-Isopropyl-4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((7-Isopropyl-4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetic acid",NA,"CC(C)C1CCC2=C(C=CC(=C2C1=O)OCC(=O)O)OC","SFTQJYSXCKWAOB-UHFFFAOYSA-N",361677,NA,"PDBC03283","624895","Present",NA,NA
+"3284","((9-Acridinylmethyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((9-Acridinylmethyl)amino)acetic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNCC(=O)O","JLWPUIDGVMRIRM-UHFFFAOYSA-N",363154,NA,"PDBC03284","627740","Present",NA,NA
+"3285","((Allyloxy)imino)(phenyl)methyl 4-(hydroxy(oxido)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((Allyloxy)imino)(phenyl)methyl 4-(hydroxy(oxido)amino)benzoate",NA,"C=CCON=C(C1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","GHYPBEZUYPZTPM-VLGSPTGOSA-N",5826365,NA,"PDBC03285","639226","Present",NA,NA
+"3286","((Cyano(imino)methyl)(ethyl)amino)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-cyano-N-ethyl-N-phenyl-formamidine",NA,"CCN(C1=CC=CC=C1)C(=N)C#N","ZACZKQFDGFCPLJ-UHFFFAOYSA-N",369713,NA,"PDBC03286","641766","Present",NA,NA
+"3287","((Cyano(imino)methyl)amino)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-cyano-N-phenyl-formamidine",NA,"C1=CC=C(C=C1)N=C(C#N)N","DHKOMXKTFDMYGR-UHFFFAOYSA-N",369710,NA,"PDBC03287","641763","Present",NA,NA
+"3288","((Cyclobutylidene(phenylthio)methyl)thio)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((Cyclobutylidene(phenylthio)methyl)thio)benzene",NA,"C1CC(=C(SC2=CC=CC=C2)SC3=CC=CC=C3)C1","BJOXMMJSHKYUMP-UHFFFAOYSA-N",361770,NA,"PDBC03288","625036","Present",NA,NA
+"3289","((Imino(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((Imino(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)methyl)thio)acetic acid",NA,"CN1C2=C(N=C1C(=N)SCC(=O)O)N(C(=O)N(C2=O)C)C","YGNWCFFTUCWYGM-UHFFFAOYSA-N",247616,NA,"PDBC03289","62586","Present",NA,NA
+"3290","((Methoxy(phenyl)acetyl)oxy)(trimethyl)germane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((Methoxy(phenyl)acetyl)oxy)(trimethyl)germane",NA,"COC(C1=CC=CC=C1)C(=O)O[Ge](C)(C)C","ZQVGVEBYJRFBRK-UHFFFAOYSA-N",16683235,NA,"PDBC03290","645577","Present",NA,NA
+"3291","((Plusmn))-Zanubrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zanubrutinib",NA,"C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N","RNOAOAWBMHREKO-UHFFFAOYSA-N",135905454,NA,"PDBC03291","799318","Present",NA,NA
+"3292","((p-Bromophenyl)azo)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC28430",NA,"C1=CC(=CC=C1N=NC(C#N)C#N)Br","CIFOXOQVWXRACF-UHFFFAOYSA-N",21650,NA,"PDBC03292","28430","Present",NA,NA
+"3293","(+)-(1S,1'S,5'R)-1-(1'-Hydroxy-5'-isopropenyl-2'-methyl-2'-cyclohexenyl)-5-isopropenyl-2-methyl-2-cyclohexenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-(1S,5R,1'S,5'R)-1-(1'-Hydroxy-5'-isopropenyl-2'-meth...",NA,"CC1=CCC(CC1(C2(CC(CC=C2C)C(=C)C)O)O)C(=C)C","WPQAOGZTDKTBHI-OAHAVBBTSA-N",363982,NA,"PDBC03293","629602","Present",NA,NA
+"3294","(+)-(6S)-endo-Acetoxycamphorquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-(6S)-endo-Acetoxycamphorquinone",NA,"CC(=O)OC1CC2C(=O)C(=O)C1(C2(C)C)C","IBRVHONNJUWZOO-UHFFFAOYSA-N",377216,NA,"PDBC03294","658452","Present",NA,NA
+"3295","(+)-3,17beta-Trihydroxyestra-1,3,5(10)-triene-3-acetate-11,17-dinitrate ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-3,11.beta.,17.beta.-Trihydroxyestra-1,3,5(10)-triene...",NA,"CC(=O)OC1=CC2=C(C=C1)C3C(CC2)C4CCC(C4(CC3O[N+](=O)[O-])C)O[N+](=O)[O-]","JAKAWTKVXSESHC-SZMDNOMZSA-N",6712303,NA,"PDBC03295","666570","Present",NA,NA
+"3296","(+)-6'-Methyl-carba-thymidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-6'-Methyl-carba-thymidine",NA,"CC1C(CC(C1CO)O)N2C=C(C(=O)NC2=O)C","APXGKXVNVNIUMW-UHFFFAOYSA-N",370698,NA,"PDBC03296","644195","Present",NA,NA
+"3297","(+)-8-Epi-Altholactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"goniothalenol",NA,"C1=CC=C(C=C1)C2C(C3C(O2)C=CC(=O)O3)O","ZKIRVBNLJKGIEM-UHFFFAOYSA-N",343590,NA,"PDBC03297","383482","Present",NA,NA
+"3298","(+)-Abscisic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"abscisin ii",NA,"CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C","JLIDBLDQVAYHNE-WEYXYWBQSA-N",5375200,NA,"PDBC03298","148832","Present",NA,NA
+"3299","(+)-Debromoflustramine B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676585",NA,"CC(=CCC12CCN(C1N(C3=CC=CC=C23)CC=C(C)C)C)C","NUWYFFDZPIGJJO-LEWJYISDSA-N",385410,NA,"PDBC03299","676585","Present",NA,NA
+"3300","(+)-Eremantholide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eremantholide a",NA,"CC1=CC2C3C(CC4(C(=O)C=C1O4)C)OC(C3(C(=O)O2)C)(C(C)C)O","LOILTCBRRAVDAF-POHAHGRESA-N",5478093,NA,"PDBC03300","380720","Present",NA,NA
+"3301","(+)-Gallocatechin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gallocatechin",NA,"C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O","XMOCLSLCDHWDHP-SWLSCSKDSA-N",65084,NA,"PDBC03301","674038","Present",NA,NA
+"3302","(+)-Hopeaphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hopeaphenol",NA,"C1=CC(=CC=C1C2C(C3=C4C(C(OC4=CC(=C3)O)C5=CC=C(C=C5)O)C6=C2C(=CC(=C6)O)O)C7C(C8=C(C=C(C=C8O)O)C9C(OC1=CC(=CC7=C91)O)C1=CC=C(C=C1)O)C1=CC=C(C=C1)O)O","YQQUILZPDYJDQJ-BQKWOQCQSA-N",6712231,NA,"PDBC03302","661748","Present",NA,NA
+"3303","(+)-Isoalantolactone;Isohelenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoalantolactone",NA,"CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C","CVUANYCQTOGILD-CDKPOMLUSA-N",353376,NA,"PDBC03303","601353","Present",NA,NA
+"3304","(+)-Jervinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-Jervinone",NA,"CC1CC2C(C(C3(O2)CCC4C5CCC6=CC(=O)CCC6(C5C(=O)C4=C3C)C)C)NC1","KLTPAUQDYRELPI-QCZICOGXSA-N",6712079,NA,"PDBC03304","655418","Present",NA,NA
+"3305","(+)-Membrenone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-membrenone a",NA,"CCC1=C(C(=O)C(C(O1)C(C)C(C(C)C(=O)CC)OC(=O)C(C)CC)C)C","DMAHVVWRJAEYPR-JAEQVKMHSA-N",45028039,NA,"PDBC03305","740824","Present",NA,NA
+"3306","(+)-Membrenone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-membrenone b",NA,"CCC1=C(C(=O)C(C(O1)C(C)C(C(C)C(=O)CC)OC(=O)CC)C)C","UBXYYFKDNAPTAL-DNFDJJHKSA-N",45028040,NA,"PDBC03306","740825","Present",NA,NA
+"3307","(+)-Simalikalactone D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Simalikalactone D",NA,"CCC(C)C(=O)OC1C2C3(C(C(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C","OKIKYYZNNZCZRX-QIMXXMOASA-N",6711208,NA,"PDBC03307","266494","Present",NA,NA
+"3308","(+)-Totarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Totarol",NA,"CC(C)C1=C(C=CC2=C1CCC3C2(CCCC3(C)C)C)O","ZRVDANDJSTYELM-UHFFFAOYSA-N",326995,NA,"PDBC03308","299936","Present",NA,NA
+"3309","(+)-Validoxylamine-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-Validoxylamine-A",NA,"C1C(C(C(C(C1NC2C=C(C(C(C2O)O)O)CO)O)O)O)CO","YCJYNBLLJHFIIW-UHFFFAOYSA-N",161975,NA,"PDBC03309","626095","Present",NA,NA
+"3310","(+)-alpha-Viniferin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-.alpha.-Viniferin",NA,"C1=CC(=CC=C1C2C3C4=C5C(C(OC5=CC(=C4)O)C6=CC=C(C=C6)O)C7=C8C(C(OC8=CC(=C7)O)C9=CC=C(C=C9)O)C1=C3C(=CC(=C1)O)O2)O","KUTVNHOAKHJJFL-UHFFFAOYSA-N",375682,NA,"PDBC03310","655524","Present",NA,NA
+"3311","(+)-trans-4,2-Dimethyl-1,3-dioxolan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-trans-4,5-Bis[hydroxycarbonyl]-2,2-dimethyl-1,3-diox...",NA,"CC1(OC(C(O1)C(=O)O)C(=O)O)C","ZJRYLTPWHABKIT-IMJSIDKUSA-N",6712407,NA,"PDBC03311","680767","Present",NA,NA
+"3312","(+)7,8-Dihydrocalanolide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)7,8-Dihydrocalanolide B",NA,"CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2C(C(C(O4)C)C)O","YPUTYHJWWMYIGF-SEDUGSJDSA-N",461797,NA,"PDBC03312","682399","Present",NA,NA
+"3313","(+-)-12(R),6,12,13-Tetrahydro-2,3-dimethoxy-6,12-dim ethyl-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-12(R),13(R)-5,6,12,13-Tetrahydro-2,3-dimethoxy-6,12...",NA,"CC12C(C3=CC4=C(C=C3C1=O)OCO4)N(C(=O)C5=CC(=C(C=C25)OC)OC)C","YDHMVJMARJXLAH-WIYYLYMNSA-N",44402657,NA,"PDBC03313","734112","Present",NA,NA
+"3314","(+-)-3-Bromomethyl-2,3-dichloro-7-methyl-1-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-3-Bromomethyl-2,3-dichloro-7-methyl-1-octene",NA,"CC(C)CCCC(CBr)(C(=C)Cl)Cl","GLBMCWLLZFUFDL-UHFFFAOYSA-N",3847619,NA,"PDBC03314","673500","Present",NA,NA
+"3315","(+-)-3-Phenyl-4-oxo-6-hydroxy-3a,6,6a-tetrahydro-pyrrolo[3,4-d]isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-3-Phenyl-4-oxo-6-hydroxy-3a,4,6,6a-tetrahydro-pyrro...",NA,"C1=CC=C(C=C1)C2=NOC3C2C(=O)NC3O","KSXQFTBQVDROHD-NMLBEHRDSA-N",6711601,NA,"PDBC03315","632225","Present",NA,NA
+"3316","(+-)-9-(2-Carboxyethyl)dihydrozeatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-9-(2-Carboxyethyl)dihydrozeatin",NA,"CC(CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)O)CO","DULGKDUIOOHICL-UHFFFAOYSA-N",383750,NA,"PDBC03316","672193","Present",NA,NA
+"3317","(+-)-9-(2-Cyanoethyl)dihydrozeatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-9-(2-Cyanoethyl)dihydrozeatin",NA,"CC(CCNC1=C2C(=NC=N1)N(C=N2)CCC#N)CO","XLDWNCKIKPQUTR-UHFFFAOYSA-N",383748,NA,"PDBC03317","672191","Present",NA,NA
+"3318","(+-)-Carbovir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CARBOVIR",NA,"C1C(C=CC1N2C=NC3=C2N=C(NC3=O)N)CO","XSSYCIGJYCVRRK-UHFFFAOYSA-N",135403630,NA,"PDBC03318","614846","Present",NA,NA
+"3319","(+-)-Endo-7-Ethyl-3-(2-hydroxyphaenylsulfonyl)-5-methyl-6,8-dioxabicyclo[3.2.1]octan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-endo-7-Ethyl-3-(2-hydroxyphaenylsulfonyl)-5-methyl-...",NA,"CCC1C2CC(CC(O2)(O1)C)S(=O)(=O)C3=CC=CC=C3O","XLGHHQXPPCKHOR-CSAFNITMSA-N",366364,NA,"PDBC03319","634740","Present",NA,NA
+"3320","(+-)-Endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-bicyclo[3.2.1]octan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-endo-7-Ethyl-5-methyl-3-(phenylsulfonyl)-6,8-dioxa-...",NA,"CCC1C2CC(CC(O2)(O1)C)S(=O)(=O)C3=CC=CC=C3","KYUURSSCXNRXMX-IBLUKRHDSA-N",366363,NA,"PDBC03320","634739","Present",NA,NA
+"3321","(+-)-Mamanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mamanine",NA,"C1CCN2CC(CC(C2C1)CO)C3=CC=CC(=O)N3","JAUFYQKXSPWZRV-UHFFFAOYSA-N",323274,NA,"PDBC03321","282172","Present",NA,NA
+"3322","(+-)-alpha,beta-Dimethylphenethylamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-103360",NA,"CC(C1=CC=CC=C1)C(C)N.Cl","RNIYCOBJKXZYOU-UHFFFAOYSA-N",24841298,NA,"PDBC03322","37496","Present",NA,NA
+"3323","(+-)-trans-2-[4-(2-Chlorocyclopropyl)-phenoxy]-2-methylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-trans-2-[4-(2-Chlorocyclopropyl)-phenoxy]-2-methylp...",NA,"CC(C)(C(=O)O)OC1=CC=C(C=C1)C2CC2Cl","OAAXFFJVNNWAFV-RRKGBCIJSA-N",393155,NA,"PDBC03323","694567","Present",NA,NA
+"3324","(+/-) Ethyl cis-2-(3,4-dihydroxyphenyl) cyclopropane-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+/-) Ethyl cis-2-(3,4-dihydroxyphenyl) cyclopropane-car...",NA,"CCOC(=O)C1CC1C2=CC(=C(C=C2)O)O","SWRWEMYWKUYJNN-RKDXNWHRSA-N",6712122,NA,"PDBC03324","657271","Present",NA,NA
+"3325","(+/-) Ethyl trans-2-(3,4-dihydroxyphenyl) cyclopropane-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+/-) Ethyl trans-2-(3,4-dihydroxyphenyl) cyclopropane-c...",NA,"CCOC(=O)C1CC1C2=CC(=C(C=C2)O)O","SWRWEMYWKUYJNN-DTWKUNHWSA-N",6712121,NA,"PDBC03325","657270","Present",NA,NA
+"3326","(+/-)-2,3-Dihydro-6-hydroxy-3-(((methylsulfonyl)oxy)methyl)-1H-indole-1-carboxylic acid 1,1-dimethylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(t-Butyloxy)carbonyl]-6-hydroxy-3-{[(methanesulfonyl)...",NA,"CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)O)COS(=O)(=O)C","YBIFXPUUHIBODV-UHFFFAOYSA-N",147453,NA,"PDBC03326","676515","Present",NA,NA
+"3327","(+/-)-Corydine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+/-)-Corydine",NA,"CN1CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)OC)O)OC","IDQUPXZJURZAGF-UHFFFAOYSA-N",111119,NA,"PDBC03327","688261","Present",NA,NA
+"3328","(+/-)-Rhopaloic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+/-)-rhopaloic acid",NA,"CC(=CCCC(=CCCC(=CCCC1CCC(OC1)C(=C)C(=O)O)C)C)C","IFDPWHHQIPWEFF-UFTLRZAHSA-N",6374719,NA,"PDBC03328","697717","Present",NA,NA
+"3329","(-) NHB-Phosphinit",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-) NHB-Phosphinit",NA,"CC(C)(C)NCC(COC1=CC=C(C=C1)[N+](=O)[O-])OP(C2=CC=CC=C2)C3=CC=CC=C3","NGXPFFKGKLJUKJ-UHFFFAOYSA-N",371461,NA,"PDBC03329","645729","Present",NA,NA
+"3330","(-)-(1R,1'R,5'R)-Carvone pinacol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-(1R,5R,1'R,5'R)-Carvone pinacol",NA,"CC1=CCC(CC1(C2(CC(CC=C2C)C(=C)C)O)O)C(=C)C","WPQAOGZTDKTBHI-ADEKHHIBSA-N",363981,NA,"PDBC03330","629601","Present",NA,NA
+"3331","(-)-(6R,11S,18R,22S)-26-Hydroxy-22-methyl-cycloirid-16-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-(6R,10S,11S,18R,22S)-26-Hydroxy-22-methyl-cycloirid-...",NA,"CC1CC=C(C(C1(C)C)C=CC(=CCCC2(C(C(=C(C)C=O)CCC2(C)O)CCCO)CO)C)C","CUWJDZXEDIUEEW-GISLAJJLSA-N",11969875,NA,"PDBC03331","631939","Present",NA,NA
+"3332","(-)-12-Oxocalanolide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans (+-)10,11-Dihydro-6,6,10,11-tetramethyl-4-n-propyl...",NA,"CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C4=C2C(=O)C(C(O4)C)C","HQVBDUZROQMWRN-RYUDHWBXSA-N",382716,NA,"PDBC03332","670365","Present",NA,NA
+"3333","(-)-3'-epi-carba-thymidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-3'-epi-carba-thymidine",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(C2)O)CO","ZOZRLTAJWLEGLG-UHFFFAOYSA-N",370697,NA,"PDBC03333","644194","Present",NA,NA
+"3334","(-)-Avarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-Avarol",NA,"CC1CCC2(C(C1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C","JSPUCPNQXKTYRO-DVMWJLJYSA-N",391578,NA,"PDBC03334","691033","Present",NA,NA
+"3335","(-)-Chokol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630450",NA,"CC1C(CCC1(C)O)C(=C)CCCO","MLBPPDRXJFCPML-SDDRHHMPSA-N",181328,NA,"PDBC03335","630450","Present",NA,NA
+"3336","(-)-Dibenzylnortrachelogenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-Dibenzylnortrachelogenin",NA,"COC1=C(C=CC(=C1)CC2COC(=O)C2(CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)O)OCC5=CC=CC=C5","CVGGDXZSZGFSIT-GVYVVWIYSA-N",405098,NA,"PDBC03336","722052","Present",NA,NA
+"3337","(-)-Dicentrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DICENTRINE-(-)",NA,"CN1CCC2=CC3=C(C4=C2C1CC5=CC(=C(C=C54)OC)OC)OCO3","YJWBWQWUHVXPNC-CQSZACIVSA-N",317843,NA,"PDBC03337","251699","Present",NA,NA
+"3338","(-)-Ent-Bullatacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-ent-Bullatacin",NA,"CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O","MBABCNBNDNGODA-MWEJZUJISA-N",6712244,NA,"PDBC03338","662303","Present",NA,NA
+"3339","(-)-Galiellalactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771565",NA,"CC1CC2CCC3C2(C(=C1)C(=O)O3)O","SOIISBQQYAGDKM-QJSROADHSA-N",11310070,NA,"PDBC03339","771565","Present",NA,NA
+"3340","(-)-Huprine Y",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-Huprine Y",NA,"CC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N.Cl","PIFZZHUTNUAVBT-VZXYPILPSA-N",54608866,NA,"PDBC03340","720262","Present",NA,NA
+"3341","(-)-Hydroxycitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-Hydroxycitrate",NA,"C(C(=O)O)C(C(C(=O)O)O)(C(=O)O)O.[Na+]","OXEBEZXXBLKNFY-UHFFFAOYSA-N",25222253,NA,"PDBC03341","704542","Present",NA,NA
+"3342","(-)-Perillyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"perillol",NA,"CC(=C)C1CCC(=CC1)CO","NDTYTMIUWGWIMO-SNVBAGLBSA-N",369312,NA,"PDBC03342","641066","Present",NA,NA
+"3343","(-)-Roehybridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-Roehybridine",NA,"CN1CCC2=CC(=C(C3=C2C1CC34CCC5(C(C4)OC)C6=C(CCN5)C7=CC(=C(C=C7N6)OC)OC)O)OC","ZEQJFLRBPFWVDX-LIDVWUJLSA-N",6711431,NA,"PDBC03343","626578","Present",NA,NA
+"3344","(-)-Roemeridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-Roemeridine",NA,"CN1CCC2=CC(=C(C3=C2C1CC34CCC5(C(C4)OC)C6=C(CCN5)C7=CC(=C(C=C7N6)OC)OC)O)OC","ZEQJFLRBPFWVDX-LGFSPVNFSA-N",5459132,NA,"PDBC03344","626577","Present",NA,NA
+"3345","(-)-Sesamin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-sesamin",NA,"C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6","PEYUIKBAABKQKQ-NSMLZSOPSA-N",382073,NA,"PDBC03345","669389","Present",NA,NA
+"3346","(-)7,8-Dihydrocalanolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)7,8-Dihydrocalanolide A",NA,"CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C4=C2C(C(C(O4)C)C)O","YPUTYHJWWMYIGF-OAVHHTNSSA-N",383107,NA,"PDBC03346","682400","Present",NA,NA
+"3347","(1'-Methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) (2R)-2-methoxy-2-phenylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'-Methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) (2R)-2-methoxy-2-phenylacetate",NA,"CN1C2=CC=CC=C2C3(C1=O)CCC(C=C3)OC(=O)C(C4=CC=CC=C4)OC","COUDXZSBSIFFMV-WEQDKIBNSA-N",393183,NA,"PDBC03347","694671","Present",NA,NA
+"3348","(1'-Methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) N-[(1R)-1-naphthalen-1-ylethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'-Methyl-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-yl) N-[(1R)-1-naphthalen-1-ylethyl]carbamate",NA,"CC(C1=CC=CC2=CC=CC=C21)NC(=O)OC3CCC4(C=C3)C5=CC=CC=C5N(C4=O)C","SPQSFTDYXUMGEZ-FYPSYCSSSA-N",5469947,NA,"PDBC03348","694673","Present",NA,NA
+"3349","(1'R,2'R,8'S,10'R)-10'-Phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'R,2'R,8'S,10'R)-10'-Phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one",NA,"C1CC2C3C(C4(C(CC3=O)SC5=CC=CC=C5)OCCO4)ON2C1","SDRYWBREBZUFOO-SIXLDLHFSA-N",402518,NA,"PDBC03349","716544","Present",NA,NA
+"3350","(1'R,2'R,8'S,10'S)-10'-Phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'R,2'R,8'S,10'S)-10'-Phenylsulfanylspiro[1,3-dioxolane-2,9'-7-oxa-6-azatricyclo[6.4.0.02,6]dodecane]-12'-one",NA,"C1CC2C3C(C4(C(CC3=O)SC5=CC=CC=C5)OCCO4)ON2C1","SDRYWBREBZUFOO-IWCQGFGOSA-N",398472,NA,"PDBC03350","708375","Present",NA,NA
+"3351","(1'R,5'R,6'S)-6'-(Benzenesulfonyl)-8'-benzyl-6'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'R,5'R,6'S)-6'-(Benzenesulfonyl)-8'-benzyl-6'-methylspiro[1,3-dioxolane-2,2'-8-azabicyclo[3.2.1]octane]",NA,"CC1(CC2C3(CCC1N2CC4=CC=CC=C4)OCCO3)S(=O)(=O)C5=CC=CC=C5","WJPQMRDIIJFITA-VSKRKVRLSA-N",397183,NA,"PDBC03351","704590","Present",NA,NA
+"3352","(1'R,8'As)-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine]-3'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'R,8'As)-1'-phenylspiro[1,3-dioxolane-2,7'-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine]-3'-one",NA,"C1CN2C(CC13OCCO3)C(OC2=O)C4=CC=CC=C4","ZLZCGLPVVZUZBB-QWHCGFSZSA-N",359587,NA,"PDBC03352","620581","Present",NA,NA
+"3353","(1'S,3'R,5'R,8'E,12'E,15'S)-5',9',13'-Trimethylspiro[3,4-dihydropyrazole-5,18'-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene]-17'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'S,3'R,5'R,8'E,12'E,15'S)-5',9',13'-Trimethylspiro[3,4-dihydropyrazole-5,18'-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene]-17'-one",NA,"CC1=CCCC2(C(O2)CC3C(CC(=CCC1)C)OC(=O)C34CCN=N4)C","WHIVRHBDIIISAP-QVNLKODRSA-N",5469907,NA,"PDBC03353","694077","Present",NA,NA
+"3354","(1'S,4S,4'R)-3-Hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'S,4S,4'R)-3-Hydroxy-2,2,2',2'-tetramethylspiro[1,3-oxazolidine-4,3'-bicyclo[2.2.1]heptane]",NA,"CC1(C2CCC(C2)C13COC(N3O)(C)C)C","KZTYVSUOSFYZPB-CWSCBRNRSA-N",6712658,NA,"PDBC03354","704820","Present",NA,NA
+"3355","(1'beta)-4'alpha,7',7'-Trimethyl-3,4-[1,3]butadienodispiro[3-cyclopentene-1,2'-bicyclo[2.2.1]heptane-3',3''-dithiirane]1''-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'beta)-4'alpha,7',7'-Trimethyl-3,4-[1,3]butadienodispiro[3-cyclopentene-1,2'-bicyclo[2.2.1]heptane-3',3''-dithiirane]1''-oxide",NA,"CC1(C2CCC1(C3(C24CC5=CC=CC=C5C4)SS3=O)C)C","RPORBFLCXATWJC-RDPTYPHRSA-N",402591,NA,"PDBC03355","716721","Present",NA,NA
+"3356","(1,1,1-Trichloro-2-methylpropan-2-yl) 10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,1,1-Trichloro-2-methylpropan-2-yl) 10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carboxylate",NA,"CC(C)(C(Cl)(Cl)Cl)OC(=O)N1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC","ZJDGLIKUFVJFEM-UHFFFAOYSA-N",363408,NA,"PDBC03356","628312","Present",NA,NA
+"3357","(1,2,4,5-Tetrazine-3,6-diyl)bis[(4-methylphenyl)methanone]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(4-Methylbenzoyl)-1,2,4,5-tetrazin-3-yl]-(4-methylphenyl)methanone",NA,"CC1=CC=C(C=C1)C(=O)C2=NN=C(N=N2)C(=O)C3=CC=C(C=C3)C","PISDYKCQRFNUMI-UHFFFAOYSA-N",298782,NA,"PDBC03357","171111","Present",NA,NA
+"3358","(1,2-Benzisothiazol-2(3H)-yl)methyl 4-methylpiperazine-1-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl 4-...",NA,"CN1CCN(CC1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O","WISWTKJBQSFCCS-UHFFFAOYSA-N",16072473,NA,"PDBC03358","735181","Present",NA,NA
+"3359","(1,2-Benzisothiazol-2(3H)-yl)methyl diethyldithiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl di...",NA,"CCN(CC)C(=S)SCN1C(=O)C2=CC=CC=C2S1(=O)=O","RPOHTLLNFAMCOX-UHFFFAOYSA-N",16072143,NA,"PDBC03359","735179","Present",NA,NA
+"3360","(1,2-Benzisothiazol-2(3H)-yl)methyl morpholine-4-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl mo...",NA,"C1COCCN1C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O","WKHYFMGCULHTDL-UHFFFAOYSA-N",16072469,NA,"PDBC03360","735182","Present",NA,NA
+"3361","(1,2-Benzisothiazol-2(3H)-yl)methyl piperidine-1-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl pi...",NA,"C1CCN(CC1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O","OXFAWARCXIPXID-UHFFFAOYSA-N",16072475,NA,"PDBC03361","735180","Present",NA,NA
+"3362","(1,2-Benzisothiazol-2(3H)-yl)methyl pyrrolidine-1-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl py...",NA,"C1CCN(C1)C(=S)SCN2C(=O)C3=CC=CC=C3S2(=O)=O","XWFZBYDAANKNFN-UHFFFAOYSA-N",16072470,NA,"PDBC03362","735183","Present",NA,NA
+"3363","(1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)(phenyl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-7-yl)(phenyl)methyl acetate",NA,"CC(=O)OC(C1C2C3=C(C4=CC=CC=C14)C(=C(C=C3CCN2C)OC)OC)C5=CC=CC=C5","IGRKHRUNPPEQNP-UHFFFAOYSA-N",363085,NA,"PDBC03363","627650","Present",NA,NA
+"3364","(1,3,2-dithiarsolan-2-ylthio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3,2-dithiarsolan-2-ylthio)acetic acid",NA,"C1CS[As](S1)SCC(=O)O","STKFUOAEOBBGGH-UHFFFAOYSA-N",96378,NA,"PDBC03364","71381","Present",NA,NA
+"3365","(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl) 2-aminobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3,3-Trimethyl-2-bicyclo[2.2.1]heptanyl) 2-aminobenzoate",NA,"CC1(C2CCC(C2)(C1OC(=O)C3=CC=CC=C3N)C)C","WSROWZALSNALOL-UHFFFAOYSA-N",346130,NA,"PDBC03365","404186","Present",NA,NA
+"3366","(1,3,5-Trioxo-2-phenyl-7,8,9,10-tetrahydropyrrolo[3,4-a]quinolizin-4-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3,5-Trioxo-2-phenyl-7,8,9,10-tetrahydropyrrolo[3,4-a]quinolizin-4-yl) acetate",NA,"CC(=O)OC1=C2C(=C3CCCCN3C1=O)C(=O)N(C2=O)C4=CC=CC=C4","UDAPQAULZYCILE-UHFFFAOYSA-N",397444,NA,"PDBC03366","705302","Present",NA,NA
+"3367","(1,3-Dibenzyl-4,5-diphenyl-imidazol-2-ylidene) gold(I) c...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-Dibenzyl-4,5-diphenyl-imidazol-2-ylidene) gold(I) c...",NA,NA,NA,NA,NA,"PDBC03367","778653","Present",NA,NA
+"3368","(1,3-Dihydroxy-5,6-dihydrobenzo[f]quinolin-2-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-Dihydroxy-5,6-dihydrobenzo[f]quinolin-2-yl)methyl acetate",NA,"CC(=O)OCC1=C(C2=C(CCC3=CC=CC=C32)NC1=O)O","KVGUOOXIYNWQQG-UHFFFAOYSA-N",54704028,NA,"PDBC03368","648406","Present",NA,NA
+"3369","(1,3-Dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-Dimethyl-2,3-dihydro-1,5-benzodiazepin-4-yl)hydrazine",NA,"CC1CN(C2=CC=CC=C2N=C1NN)C","WYBXHOWQCVZZQS-UHFFFAOYSA-N",397539,NA,"PDBC03369","705847","Present",NA,NA
+"3370","(1,3-Dimethyl-2,6-dioxopurin-7-yl)-[2-methoxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-Dimethyl-2,6-dioxopurin-7-yl)-[2-methoxy-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]mercury",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C=N2)[Hg]CC(CN3C(=O)C4=CC=CC=C4S3(=O)=O)OC","BFPLDFGXGURDMF-UHFFFAOYSA-M",409344,NA,"PDBC03370","20410","Present",NA,NA
+"3371","(1,3-Dioxo-2-phenylinden-2-yl)-dimethylsulfanium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656584",NA,"C[S+](C)C1(C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]","PHRCFYFYOOGKII-UHFFFAOYSA-M",24202430,NA,"PDBC03371","656584","Present",NA,NA
+"3372","(1,3-Dioxobenzo[de]isoquinolin-2-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_005792",NA,"CC(=O)ON1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O","AATRCBPAUJCECJ-UHFFFAOYSA-N",304928,NA,"PDBC03372","201656","Present",NA,NA
+"3373","(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) azide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) azide",NA,NA,NA,NA,NA,"PDBC03373","793127","Present",NA,NA
+"3374","(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) cy...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) cy...",NA,NA,NA,NA,NA,"PDBC03374","793128","Present",NA,NA
+"3375","(1,4,7,10,13,16-Hexathiocyclooctadecaneplatinum(II)bis-(...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,4,7,10,13,16-Hexathiocyclooctadecaneplatinum(II)bis-(...",NA,NA,NA,NA,NA,"PDBC03375","633558","Present",NA,NA
+"3376","(1,4-Dibenzyl-5-oxo-4H-imidazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,4-Dibenzyl-5-oxo-4H-imidazol-2-yl)urea",NA,"C1=CC=C(C=C1)CC2C(=O)N(C(=N2)NC(=O)N)CC3=CC=CC=C3","OUPOPKGMZUORSH-UHFFFAOYSA-N",375249,NA,"PDBC03376","654638","Present",NA,NA
+"3377","(1,4-Dihydroxy-5,8-dioxo-5,8-dihydronaphthalene-2,3-diyl)bis(methylene) diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Acetyloxymethyl)-1,4-dihydroxy-5,8-dioxonaphthalen-2-yl]methyl acetate",NA,"CC(=O)OCC1=C(C(=C2C(=O)C=CC(=O)C2=C1O)O)COC(=O)C","RIHLIJMUVKXNIG-UHFFFAOYSA-N",311768,NA,"PDBC03377","217307","Present",NA,NA
+"3378","(1,4-Phenylenbis(iminomethyl)]di-2-naphtholato-O,O',N,N']bis[dicarbonyliridium(I)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,1'-[1,4-Phenylenbis(iminomethyl)]di-2-naphtholato- O,...",NA,"[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)N=CC4=C(C=CC5=CC=CC=C54)[O-])[O-].[Ir].[Ir]","NVFKKAXBNVGMIL-UHFFFAOYSA-L",6711759,NA,"PDBC03378","639601","Present",NA,NA
+"3379","(1,5-Diamino-5-phosphonopentyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,5-Diamino-5-phosphonopentyl)phosphonic acid",NA,"C(CC(N)P(=O)(O)O)CC(N)P(=O)(O)O","DVGVTCMVKJFVEN-UHFFFAOYSA-N",363602,NA,"PDBC03379","628597","Present",NA,NA
+"3380","(1,6-Bis-trifluoromethyl-quinoxalin-2-yl)-naphthalen-2-yl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,4-Dioxy-3,6-bis-trifluoromethyl-quinoxalin-2-yl)-naph...",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=CC(=C4)C(F)(F)F)[O-])C(F)(F)F","FOQOVCMPHXNQQC-UHFFFAOYSA-N",23635412,NA,"PDBC03380","741433","Present",NA,NA
+"3381","(1,7,7-Trimethylnorbornan-2-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2:1 Mixture of (1R)-Bornyl acetate and (1R)-Isobornyl ac...",NA,"CC(=O)OC1CC2CCC1(C2(C)C)C.CC(=O)OC1CC2CCC1(C2(C)C)C","DYTSXYJULYDSMX-UHFFFAOYSA-N",376769,NA,"PDBC03381","657826","Present",NA,NA
+"3382","(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,"C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)N)CO","OTRGPSBNWZQIBZ-UHFFFAOYSA-N",385246,NA,"PDBC03382","676359","Present",NA,NA
+"3383","(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol",NA,"C1CCC(C1)(CNC2=C(C(=NC(=N2)N)Cl)N)CO","WBFFONKDNAWDEI-UHFFFAOYSA-N",385253,NA,"PDBC03383","676364","Present",NA,NA
+"3384","(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol",NA,"C1CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO","JMPCYORLURZTSM-UHFFFAOYSA-N",385245,NA,"PDBC03384","676358","Present",NA,NA
+"3385","(1-(((2-Amino-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol",NA,"C1C(CC1(CNC2=NC(=NC=C2)N)CO)OCC3=CC=CC=C3","PSNDXYIUOKOTQI-UHFFFAOYSA-N",385195,NA,"PDBC03385","676310","Present",NA,NA
+"3386","(1-(((2-Amino-5-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-5-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol",NA,"C1C(CC1(CNC2=NC(=NC=C2Cl)N)CO)CCC3=CC=CC=C3","HTJOWPAOCKGKIL-UHFFFAOYSA-N",385199,NA,"PDBC03386","676313","Present",NA,NA
+"3387","(1-(((2-Amino-5-cyano-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-5-cyano-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methyl acetate",NA,"CC(=O)OCC1(CC(C1)CCC2=CC=CC=C2)CNC3=NC(=NC=C3C#N)N","OIYTUSWXTFVUAE-UHFFFAOYSA-N",385201,NA,"PDBC03387","676315","Present",NA,NA
+"3388","(1-(((2-Amino-6-chloro-4-pyrimidinyl)(methyl)amino)methyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)(methyl)amino)methyl)cyclobutyl)methanol",NA,"CN(CC1(CCC1)CO)C2=CC(=NC(=N2)N)Cl","VLRPKCUNBJCKDY-UHFFFAOYSA-N",385244,NA,"PDBC03388","676357","Present",NA,NA
+"3389","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(3-phenylpropyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclobutanemethanol, 1-[[(2-amino-4-chloro-6-pyrimidinyl...",NA,"C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CCCC3=CC=CC=C3","QTBFZRZEWHBMHT-UHFFFAOYSA-N",385233,NA,"PDBC03389","676346","Present",NA,NA
+"3390","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclopentyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclopentyl)methanol",NA,"C1CC(CC1OCC2=CC=CC=C2)(CNC3=CC(=NC(=N3)N)Cl)CO","AXDQWOUUBIAQQJ-UHFFFAOYSA-N",385240,NA,"PDBC03390","676353","Present",NA,NA
+"3391","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-benzylcyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-benzylcyclobutyl)methanol",NA,"C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CC3=CC=CC=C3","NTDUGCCSGYVSPG-UHFFFAOYSA-N",385231,NA,"PDBC03391","676344","Present",NA,NA
+"3392","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-cyclopenten-1-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-cyclopenten-1-yl)methanol",NA,"C1C=CCC1(CNC2=CC(=NC(=N2)N)Cl)CO","HFQFLWJQBZODSZ-UHFFFAOYSA-N",385238,NA,"PDBC03392","676351","Present",NA,NA
+"3393","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-isopropylcyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-isopropylcyclobutyl)methanol",NA,"CC(C)C1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO","AXPSLTILUXOOEE-UHFFFAOYSA-N",385230,NA,"PDBC03393","676343","Present",NA,NA
+"3394","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-phenylcyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-phenylcyclobutyl)methanol",NA,"C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)C3=CC=CC=C3","GCEPYXIYONHYEE-UHFFFAOYSA-N",385235,NA,"PDBC03394","676348","Present",NA,NA
+"3395","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclohexyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclohexyl)methanol",NA,"C1CCC(CC1)(CNC2=CC(=NC(=N2)N)Cl)CO","FGFQSPRDQMLFIW-UHFFFAOYSA-N",385241,NA,"PDBC03395","676354","Present",NA,NA
+"3396","(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol",NA,"C1CCC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO","NVXDJJNBIHJIJS-UHFFFAOYSA-N",385236,NA,"PDBC03396","676349","Present",NA,NA
+"3397","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-2-vinylcyclopropyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-2-vinylcyclopropyl)methanol",NA,"C=CC1CC1(CO)COC2=CC(=NC(=N2)N)Cl","ANJPQUDNYHQBIX-UHFFFAOYSA-N",385278,NA,"PDBC03397","676389","Present",NA,NA
+"3398","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3,3-dimethoxycyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3,3-dimethoxycyclobutyl)methanol",NA,"COC1(CC(C1)(CO)COC2=CC(=NC(=N2)N)Cl)OC","ZSVOIYQMRPGVFE-UHFFFAOYSA-N",385280,NA,"PDBC03398","676391","Present",NA,NA
+"3399","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3-(benzyloxy)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3-(benzyloxy)cyclobutyl)methanol",NA,"C1C(CC1(CO)COC2=CC(=NC(=N2)N)Cl)OCC3=CC=CC=C3","LEDKQTQKGHQRAU-UHFFFAOYSA-N",385281,NA,"PDBC03399","676392","Present",NA,NA
+"3400","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3-cyclopenten-1-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3-cyclopenten-1-yl)methanol",NA,"C1C=CCC1(CO)COC2=CC(=NC(=N2)N)Cl","YOKZLTDLYJTJAQ-UHFFFAOYSA-N",385304,NA,"PDBC03400","676416","Present",NA,NA
+"3401","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)cyclohexyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(2-Amino-6-chloro-pyrimidin-4-yl)oxymethyl]cyclohexyl]methanol",NA,"C1CCC(CC1)(CO)COC2=CC(=NC(=N2)N)Cl","YNDIEFJUGWWEEO-UHFFFAOYSA-N",385305,NA,"PDBC03401","676417","Present",NA,NA
+"3402","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)cyclopentyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)cyclopentyl)methanol",NA,"C1CCC(C1)(CO)COC2=CC(=NC(=N2)N)Cl","JSYKMIKDTCQRRV-UHFFFAOYSA-N",385303,NA,"PDBC03402","676415","Present",NA,NA
+"3403","(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)cyclopropyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)cyclopropyl)methanol",NA,"C1CC1(CO)COC2=CC(=NC(=N2)N)Cl","BHTAWSSDIJIBLW-UHFFFAOYSA-N",385277,NA,"PDBC03403","676388","Present",NA,NA
+"3404","(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,"C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)N=NC3=CC=C(C=C3)Cl)CO","NEICZCKUQVFNSJ-UHFFFAOYSA-N",385283,NA,"PDBC03404","676394","Present",NA,NA
+"3405","(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)methyl)cyclopropyl)methanol",NA,"C1CC1(CNC2=C(C(=NC(=N2)N)Cl)N=NC3=CC=C(C=C3)Cl)CO","ZDIKAPGPFSZXOG-UHFFFAOYSA-N",385282,NA,"PDBC03405","676393","Present",NA,NA
+"3406","(1-(((2-Amino-6-chloro-5-(hydroxymethyl)-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Amino-4-chloro-6-[[1-(hydroxymethyl)-3-phenethyl-cyclobutyl]methylamino]pyrimidin-5-yl]methanol",NA,"C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)CO)CO)CCC3=CC=CC=C3","BFEICJMVGSKDHP-UHFFFAOYSA-N",385260,NA,"PDBC03406","676371","Present",NA,NA
+"3407","(1-(((2-Imino-6-methoxy-1,2,3,6-tetrahydro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Imino-6-methoxy-1,2,3,6-tetrahydro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,"COC1C=C(NC(=N1)N)NCC2(CCC2)CO","GUQBMCCAWGEYSX-UHFFFAOYSA-N",385271,NA,"PDBC03407","676382","Present",NA,NA
+"3408","(1-(((2-Imino-6-methyl-1,2,3,6-tetrahydro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Imino-6-methyl-1,2,3,6-tetrahydro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,"CC1C=C(NC(=N1)N)NCC2(CCC2)CO","IHTYPNQYXHAKJA-UHFFFAOYSA-N",385273,NA,"PDBC03408","676384","Present",NA,NA
+"3409","(1-(((3-Amino-2-pyridinyl)amino)methyl)cyclopentyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((3-Amino-2-pyridinyl)amino)methyl)cyclopentyl)methanol",NA,"C1CCC(C1)(CNC2=C(C=CC=N2)N)CO","MOUQBANRVFBYEB-UHFFFAOYSA-N",385300,NA,"PDBC03409","676412","Present",NA,NA
+"3410","(1-(((5-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((5-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,"C1CC(C1)(CNC2=C(C(=NC=N2)Cl)N)CO","XGUNUSBYGULJRK-UHFFFAOYSA-N",385207,NA,"PDBC03410","676320","Present",NA,NA
+"3411","(1-(((6-((1-(Hydroxymethyl)cyclobutyl)methoxy)-2-imino-1,2,3,6-tetrahydro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[[2-Amino-4-[[1-(hydroxymethyl)cyclobutyl]methoxy]-1,4-dihydropyrimidin-6-yl]amino]methyl]cyclobutyl]methanol",NA,"C1CC(C1)(CNC2=CC(N=C(N2)N)OCC3(CCC3)CO)CO","YCCJVKKFGSNXNQ-UHFFFAOYSA-N",385272,NA,"PDBC03411","676383","Present",NA,NA
+"3412","(1-(((6-Chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((6-Chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,"C1CC(C1)(CNC2=CC(=NC=N2)Cl)CO","CIWXLFYLUODUSJ-UHFFFAOYSA-N",385206,NA,"PDBC03412","676319","Present",NA,NA
+"3413","(1-((2,3,6-Trimethoxy-9-phenanthryl)methyl)-2-piperidinyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-((2,3,6-Trimethoxy-9-phenanthryl)methyl)-2-piperidinyl)methanol",NA,"COC1=CC2=C3C=C(C(=CC3=CC(=C2C=C1)CN4CCCCC4CO)OC)OC","KGNVTELDXXAIHE-UHFFFAOYSA-N",363315,NA,"PDBC03413","628135","Present",NA,NA
+"3414","(1-((2-Amino-6-chloro-4-pyrimidinyl)amino)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-((2-Amino-6-chloro-4-pyrimidinyl)amino)cyclobutyl)methanol",NA,"C1CC(C1)(CO)NC2=CC(=NC(=N2)N)Cl","GIYFSAHJYWOWSJ-UHFFFAOYSA-N",385208,NA,"PDBC03414","676321","Present",NA,NA
+"3415","(1-((4-Methylphenyl)sulfonyl)-1H-imidazol-4-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-((4-Methylphenyl)sulfonyl)-1H-imidazol-4-yl)methyl acetate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)COC(=O)C","KOBLKHSJVKFMHU-UHFFFAOYSA-N",382148,NA,"PDBC03415","669593","Present",NA,NA
+"3416","(1-((5-Methoxy-1H-indol-3-yl)methyl)-4-phenyl-4-piperidinyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-((5-Methoxy-1H-indol-3-yl)methyl)-4-phenyl-4-piperidinyl)methanol",NA,"COC1=CC2=C(C=C1)NC=C2CN3CCC(CC3)(CO)C4=CC=CC=C4","NYVOMBGKIVNSQV-UHFFFAOYSA-N",380385,NA,"PDBC03416","665900","Present",NA,NA
+"3417","(1-((Benzylthio)(diethylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-((Benzylthio)(diethylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,"CCN(CC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SCC1=CC=CC=C1","VOYZJTKPQVIRHC-SQFISAMPSA-N",3004953,NA,"PDBC03417","665100","Present",NA,NA
+"3418","(1-(2-((2-Amino-6-chloro-4-pyrimidinyl)amino)ethyl)cyclobutyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(2-((2-Amino-6-chloro-4-pyrimidinyl)amino)ethyl)cyclobutyl)methanol",NA,"C1CC(C1)(CCNC2=CC(=NC(=N2)N)Cl)CO","ALKAJXGAAROLOG-UHFFFAOYSA-N",385243,NA,"PDBC03418","676356","Present",NA,NA
+"3419","(1-(3-(Benzylamino)-3-oxopropyl)-3-hydroxy-2-piperidinyl)methyl hydroxy(diphenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(3-(Benzylamino)-3-oxopropyl)-3-hydroxy-2-piperidinyl)methyl hydroxy(diphenyl)acetate",NA,"C1CC(C(N(C1)CCC(=O)NCC2=CC=CC=C2)COC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O","TUGQVTWXMDXVPK-UHFFFAOYSA-N",380022,NA,"PDBC03419","665317","Present",NA,NA
+"3420","(1-(3-Phenylpropanoyl)-1H-pyrrol-2-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(3-Phenylpropanoyl)-1H-pyrrol-2-yl)methanol",NA,"C1=CC=C(C=C1)CCC(=O)N2C=CC=C2CO","HZHNRUMSFXBWSE-UHFFFAOYSA-N",382964,NA,"PDBC03420","670870","Present",NA,NA
+"3421","(1-(4-Chlorobenzyl)-2-oxohydrazino)(phenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(4-Chlorobenzyl)-2-oxohydrazino)(phenyl)acetic acid",NA,"C1=CC=C(C=C1)C(C(=O)O)N(CC2=CC=C(C=C2)Cl)N=O","WBRGEXSDDDAVMU-UHFFFAOYSA-N",341212,NA,"PDBC03421","372874","Present",NA,NA
+"3422","(1-(Anilino(benzylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(Anilino(benzylthio)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,"C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC=C2","BKACIYIXRUHGTK-ICFOKQHNSA-N",3004952,NA,"PDBC03422","665099","Present",NA,NA
+"3423","(1-(Bis(2,4-dimethylanilino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(Bis(2,4-dimethylanilino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,"CC1=CC(=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=C(C=C(C=C2)C)C)C","ZTKWVTVKZFAMRF-UHFFFAOYSA-N",384034,NA,"PDBC03423","673145","Present",NA,NA
+"3424","(1-(Bis(benzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(Bis(benzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,"C1=CC=C(C=C1)CNC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NCC2=CC=CC=C2","MGBZQQZTZQNXSX-UHFFFAOYSA-N",384035,NA,"PDBC03424","673146","Present",NA,NA
+"3425","(1-(Bis(dibenzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(Bis(dibenzylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N(CC3=CC=CC=C3)CC4=CC=CC=C4","PCOMIIZOGRSEMH-UHFFFAOYSA-N",386282,NA,"PDBC03425","678039","Present",NA,NA
+"3426","(1-(Bis(tert-butylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(Bis(tert-butylamino)methylene)-2,3,3-trichloro-2-propenyl)(hydroxy)azane oxide",NA,"CC(C)(C)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC(C)(C)C","NWMGMQOGFZEEQJ-UHFFFAOYSA-N",379890,NA,"PDBC03426","665082","Present",NA,NA
+"3427","(1-(Ethoxycarbonyl)-2-oxocyclopentyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Ethoxycarbonyl)-2-oxocyclopentyl]acetic acid",NA,"CCOC(=O)C1(CCCC1=O)CC(=O)O","JJTRRJRRBRCVSC-UHFFFAOYSA-N",240444,NA,"PDBC03427","46647","Present",NA,NA
+"3428","(1-(Methylsulfonyl)-6-((methylsulfonyl)amino)-2,3-dihydro-1H-indol-3-yl)methyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(Methylsulfonyl)-6-((methylsulfonyl)amino)-2,3-dihydro-1H-indol-3-yl)methyl methanesulfonate",NA,"CS(=O)(=O)NC1=CC2=C(C=C1)C(CN2S(=O)(=O)C)COS(=O)(=O)C","HUJGJFIBCZYFIW-UHFFFAOYSA-N",384836,NA,"PDBC03428","675354","Present",NA,NA
+"3429","(1-Acetyl-1H-benzimidazol-2-yl)methyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Acetyl-1H-benzimidazol-2-yl)methyl methanesulfonate",NA,"CC(=O)N1C2=CC=CC=C2N=C1COS(=O)(=O)C","QBLZURCAHPNDJE-UHFFFAOYSA-N",270475,NA,"PDBC03429","112898","Present",NA,NA
+"3430","(1-Acetyl-3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Acetyl-3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone",NA,"CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C(=O)C4=CC=CO4","SUZLJZVQFUEUQR-UHFFFAOYSA-N",390448,NA,"PDBC03430","687802","Present",NA,NA
+"3431","(1-Acetyl-3-(2-hydroxy-1-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Acetyl-3-(2-hydroxy-1-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)(2-furyl)methanone",NA,"CC(=O)N1C(CC(=N1)C2=C(C=CC3=CC=CC=C32)O)C(=O)C4=CC=CO4","UOOGYSAHQAMOKC-UHFFFAOYSA-N",390438,NA,"PDBC03431","687792","Present",NA,NA
+"3432","(1-Acetyl-3-methylindol-2-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Acetyl-3-methylindol-2-yl)methyl acetate",NA,"CC1=C(N(C2=CC=CC=C12)C(=O)C)COC(=O)C","MXHQBJIKUDHIED-UHFFFAOYSA-N",359682,NA,"PDBC03432","621096","Present",NA,NA
+"3433","(1-Acetyl-9-hydroxy-3a,9a-dihydrobenzo[f]indazol-4-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Acetyl-9-hydroxy-3a,9a-dihydrobenzo[f]indazol-4-yl) acetate",NA,"CC(=O)N1C2C(C=N1)C(=C3C=CC=CC3=C2O)OC(=O)C","OLKONXYSUGTWSO-UHFFFAOYSA-N",388285,NA,"PDBC03433","682925","Present",NA,NA
+"3434","(1-Acetylindol-3-yl) diphenyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-1h-indol-3-yl diphenyl phosphate",NA,"CC(=O)N1C=C(C2=CC=CC=C21)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4","MLMRLILTJBUIFO-UHFFFAOYSA-N",403816,NA,"PDBC03434","719331","Present",NA,NA
+"3435","(1-Acetyloxy-12,12-dimethyl-3,6-dioxo-9-tricyclo[6.2.2.02,7]dodeca-4,9-dienyl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Acetyloxy-12,12-dimethyl-3,6-dioxo-9-tricyclo[6.2.2.02,7]dodeca-4,9-dienyl) acetate",NA,"CC(=O)OC1=CC2(CC(C1C3C2C(=O)C=CC3=O)(C)C)OC(=O)C","HGLNSMLFIIDKCZ-UHFFFAOYSA-N",359521,NA,"PDBC03435","620504","Present",NA,NA
+"3436","(1-Adamantylamino)(1,3-benzodioxol-5-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Adamantylamino)(1,3-benzodioxol-5-yl)acetonitrile",NA,"C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC5=C(C=C4)OCO5","PYWCWJGKPVQGNQ-UHFFFAOYSA-N",363992,NA,"PDBC03436","629610","Present",NA,NA
+"3437","(1-Adamantylamino)(2-(trifluoromethyl)phenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Adamantylamino)(2-(trifluoromethyl)phenyl)acetonitrile",NA,"C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC=CC=C4C(F)(F)F","YQIUUFXRTZDIFP-UHFFFAOYSA-N",375078,NA,"PDBC03437","654016","Present",NA,NA
+"3438","(1-Adamantylamino)(3,4-dimethoxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Adamantylamino)(3,4-dimethoxyphenyl)acetonitrile",NA,"COC1=C(C=C(C=C1)C(C#N)NC23CC4CC(C2)CC(C4)C3)OC","HCPWOXIASSQVNR-UHFFFAOYSA-N",363991,NA,"PDBC03438","629609","Present",NA,NA
+"3439","(1-Adamantylamino)(3-methoxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Adamantylamino)(3-methoxyphenyl)acetonitrile",NA,"COC1=CC=CC(=C1)C(C#N)NC23CC4CC(C2)CC(C4)C3","UMLLSOKVNVQQFN-UHFFFAOYSA-N",363994,NA,"PDBC03439","629612","Present",NA,NA
+"3440","(1-Adamantylamino)(4-methoxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Adamantylamino)(4-methoxyphenyl)acetonitrile",NA,"COC1=CC=C(C=C1)C(C#N)NC23CC4CC(C2)CC(C4)C3","AJXZTNMCDRQZJT-UHFFFAOYSA-N",363993,NA,"PDBC03440","629611","Present",NA,NA
+"3441","(1-Adamantylamino)(phenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Adamantylamino)(phenyl)acetonitrile",NA,"C1C2CC3CC1CC(C2)(C3)NC(C#N)C4=CC=CC=C4","LVUHFRRTSCANOO-UHFFFAOYSA-N",363990,NA,"PDBC03441","629608","Present",NA,NA
+"3442","(1-Amino-2-phenylethyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-106439",NA,"C1=CC=C(C=C1)CC(N)P(=O)(O)O","FQCNOURLMNHAQN-UHFFFAOYSA-N",97710,NA,"PDBC03442","30080","Present",NA,NA
+"3443","(1-Aminocyclohexyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH1273090",NA,"C1CCC(CC1)(N)P(=O)(O)O","VMSRCTIIPRWCGJ-UHFFFAOYSA-N",330854,NA,"PDBC03443","320308","Present",NA,NA
+"3444","(1-Benzoylpiperidin-2-yl)-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Benzoylpiperidin-2-yl)-phenylmethanone",NA,"C1CCN(C(C1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","FYKXWTQVVIILKN-UHFFFAOYSA-N",359218,NA,"PDBC03444","619927","Present",NA,NA
+"3445","(1-Benzyl-1H-indol-3-yl)-methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-indole-3-carbinol",NA,"C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)CO","DXCRDLUQTDLMKZ-UHFFFAOYSA-N",402633,NA,"PDBC03445","716807","Present",NA,NA
+"3446","(1-Benzyl-2-methyl-1H-imidazol-5-yl)(4-methylphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Benzyl-2-methyl-1H-imidazol-5-yl)(4-methylphenyl)methanol",NA,"CC1=CC=C(C=C1)C(C2=CN=C(N2CC3=CC=CC=C3)C)O","LDUBFHKGOKKYNV-UHFFFAOYSA-N",303177,NA,"PDBC03446","191260","Present",NA,NA
+"3447","(1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-2(R)-hydroxymethyl-3(R),4(R),5(S)- tribenzyloxy...",NA,"C1C(C(C(C(N1CC2=CC=CC=C2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","YAEJOANLERDYGA-UHFFFAOYSA-N",364050,NA,"PDBC03447","629676","Present",NA,NA
+"3448","(1-Benzyl-4a-ethyl-7-methyl-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazol-6-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Benzyl-4a-ethyl-7-methyl-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazol-6-yl)methanol",NA,"CCC12CCCN(C1C3=C(C(C2)CO)N(C4=CC=CC=C43)C)CC5=CC=CC=C5","DFSFUXVZVGGWRV-UHFFFAOYSA-N",372694,NA,"PDBC03448","648224","Present",NA,NA
+"3449","(1-Benzylaziridine-2,3-diyl)bis(phenylmethanone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC167149",NA,"C1=CC=C(C=C1)CN2C(C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","LSWFEKFANVJTSQ-UHFFFAOYSA-N",296695,NA,"PDBC03449","167149","Present",NA,NA
+"3450","(1-Benzylsulfanylcyclohexyl)sulfanylmethylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((1-(Benzylthio)cyclohexyl)thio)methyl)benzene",NA,"C1CCC(CC1)(SCC2=CC=CC=C2)SCC3=CC=CC=C3","IXLULFZJRWMCAC-UHFFFAOYSA-N",377593,NA,"PDBC03450","659161","Present",NA,NA
+"3451","(1-Bromo-5-oxo-2H-pyrrol-4-yl) 1-bromo-4-hydroxy-5-oxo-2H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-4-[(1-bromo-2-oxo-5h-pyrrol-3-yl)oxy-hydroxy-methylene]pyrrolidine-2,3-dione",NA,"C1C=C(C(=O)N1Br)OC(=O)C2=C(C(=O)N(C2)Br)O","ATGDYNITBQSSON-UHFFFAOYSA-N",54686212,NA,"PDBC03451","694959","Present",NA,NA
+"3452","(1-Carboxycyclopentyl)azanide;nickel(2+);dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Carboxycyclopentyl)azanide;nickel(2+);dihydrate",NA,"C1CCC(C1)(C(=O)O)[NH-].C1CCC(C1)(C(=O)O)[NH-].O.O.[Ni+2]","OTHVZXQTYWBOPG-UHFFFAOYSA-N",419081,NA,"PDBC03452","110380","Present",NA,NA
+"3453","(1-Carboxycyclopropyl)-trimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Trimethylammonio)cyclopropanecarboxylate",NA,"C[N+](C)(C)C1(CC1)C(=O)[O-]","MRCLCXHDEIYXER-UHFFFAOYSA-N",386200,NA,"PDBC03453","677917","Present",NA,NA
+"3454","(1-Cyano-1-methyl-ethyl) 2-diazo-3-oxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Cyanopropan-2-yl)oxy]-2-diazonio-3-oxobut-1-en-1-olate",NA,"CC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C#N","OVPMVOVVCQTDEO-UHFFFAOYSA-N",379176,NA,"PDBC03454","663587","Present",NA,NA
+"3455","(1-Cyclohexyl-3-(2-(hydroxy(oxido)amino)phenyl)-2-aziridinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Cyclohexyl-3-(2-nitrophenyl)aziridin-2-yl](phenyl)methanone",NA,"C1CCC(CC1)N2C(C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4[N+](=O)[O-]","OFIHBIHVNYDAGB-UHFFFAOYSA-N",227780,NA,"PDBC03455","19832","Present",NA,NA
+"3456","(1-Ethoxy-1-oxopropan-2-yl) 4-methylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Ethoxy-1-oxopropan-2-yl) 4-methylbenzoate",NA,"CCOC(=O)C(C)OC(=O)C1=CC=C(C=C1)C","QYKVWRCALWZFLV-UHFFFAOYSA-N",357885,NA,"PDBC03456","617419","Present",NA,NA
+"3457","(1-Ethyl-4-hydroxypiperidin-4-yl)(phenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Ethyl-4-hydroxypiperidin-4-yl)(phenyl)acetic acid",NA,"CCN1CCC(CC1)(C(C2=CC=CC=C2)C(=O)O)O","GSYPREKFRGJLNT-UHFFFAOYSA-N",226155,NA,"PDBC03457","16311","Present",NA,NA
+"3458","(1-Formyl-2,3-dihydroxy-4-trityloxy-butyl) 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Formyl-2,3-dihydroxy-4-trityloxy-butyl) 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC(C=O)C(C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)O","QMQSVDQCFXTXAH-UHFFFAOYSA-N",367655,NA,"PDBC03458","637533","Present",NA,NA
+"3459","(1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinylidene)acetaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinylidene)acetaldehyde",NA,"CC1(C(=CC=O)NC(N1O)(C)C)C","FFFPTAQXVPMEAA-ALCCZGGFSA-N",5468092,NA,"PDBC03459","663940","Present",NA,NA
+"3460","(1-Isopropyl-2-methyl-propyl) 5-(benzenecarbonothioylamino)-2-chloro-benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-chloro-5-[(phenylthioxomethyl)amino-, 2-...",NA,"CC(C)C(C(C)C)OC(=O)C1=C(C=CC(=C1)NC(=S)C2=CC=CC=C2)Cl","RUBPYYAMNKUQEN-UHFFFAOYSA-N",3001012,NA,"PDBC03460","641626","Present",NA,NA
+"3461","(1-Methoxy-9H-carbazol-3-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Koenoline",NA,"COC1=CC(=CC2=C1NC3=CC=CC=C32)CO","KNKVHLASDDREQS-UHFFFAOYSA-N",375152,NA,"PDBC03461","654286","Present",NA,NA
+"3462","(1-Methoxycarbonylindol-2-yl)methyl-triphenylphosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{[1-(Methoxycarbonyl)-1H-indol-2-yl]methyl}(triphenyl)phosphonium bromide",NA,"COC(=O)N1C2=CC=CC=C2C=C1C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]","NDJOEQPJGHYZRI-UHFFFAOYSA-M",374850,NA,"PDBC03462","653276","Present",NA,NA
+"3463","(1-Methyl-1H-indol-3-YL)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AM806322",NA,"CN1C=C(C2=CC=CC=C21)CO","LULITKYYLCRIIB-UHFFFAOYSA-N",23406,NA,"PDBC03463","67601","Present",NA,NA
+"3464","(1-Methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetic acid",NA,"CN1C(=O)C2=C(N=CN2)N(C1=O)CC(=O)O","ACAUEEQITGAJIN-UHFFFAOYSA-N",367814,NA,"PDBC03464","637879","Present",NA,NA
+"3465","(1-Methyl-2-oxo-5H-indeno[1,2-b]pyridin-3-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Methyl-2-oxo-5H-indeno[1,2-b]pyridin-3-yl) acetate",NA,"CC(=O)OC1=CC2=C(C3=CC=CC=C3C2)N(C1=O)C","VRBIIDNTTBKZBV-UHFFFAOYSA-N",394446,NA,"PDBC03465","697920","Present",NA,NA
+"3466","(1-Methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Methyl-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl) acetate",NA,"CC(=O)OC1=CC2=C(CCC2)N(C1=O)C","LSEFJURXRKPBMS-UHFFFAOYSA-N",394459,NA,"PDBC03466","697933","Present",NA,NA
+"3467","(1-Methyl-3,6-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Methyl-1,2,5,6-tetrahydropyridin-3-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate",NA,"CC#CC(C1=CC=CC=C1)(C(=O)OCC2=CCCN(C2)C)O","QQAMIRKRUWLITC-UHFFFAOYSA-N",380047,NA,"PDBC03467","665343","Present",NA,NA
+"3468","(1-Methyl-4-piperidyl) 2-hydroxy-5-methyl-2-(2-thienyl)hex-5-en-3-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Methyl-4-piperidyl) 2-hydroxy-5-methyl-2-(2-thienyl)hex-5-en-3-ynoate",NA,"CC(=C)C#CC(C1=CC=CS1)(C(=O)OC2CCN(CC2)C)O","MHQFZGGOVJBXQV-UHFFFAOYSA-N",380362,NA,"PDBC03468","665885","Present",NA,NA
+"3469","(1-Methyl-6-oxo-1,6-dihydropyridine-3-yl)(benzo[c][2,7]naphthyridine-4-yl) ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Benzo[c][2,7]naphthyridin-4-ylcarbonyl)-1-methylpyridin-2(1h)-one",NA,"CN1C=C(C=CC1=O)C(=O)C2=NC=CC3=C2C=NC4=CC=CC=C34","AGMRHCOVPCVBCM-UHFFFAOYSA-N",404067,NA,"PDBC03469","720185","Present",NA,NA
+"3470","(1-Methylindol-2-yl)-pyridin-4-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, (1-methyl-1H-indol-2-yl)-4-pyridinyl-",NA,"CN1C2=CC=CC=C2C=C1C(=O)C3=CC=NC=C3","DIDNNBTXXOKPAK-UHFFFAOYSA-N",289999,NA,"PDBC03470","152551","Present",NA,NA
+"3471","(1-Methylpiperidin-3-yl) 2,2-diphenylacetate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC4357",NA,"CN1CCCC(C1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.Cl","YDONEOQEWVKVBC-UHFFFAOYSA-N",2930547,NA,"PDBC03471","4357","Present",NA,NA
+"3472","(1-Methylpiperidin-3-yl) 6-(chloromethyl)-2-oxochromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylpiperidin-3-yl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate",NA,"CN1CCCC(C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","IEBIFFJTOVLWNM-UHFFFAOYSA-N",402510,NA,"PDBC03472","716537","Present",NA,NA
+"3473","(1-Methylquinolin-1-ium-7-yl) benzoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682354",NA,"C[N+]1=CC=CC2=C1C=C(C=C2)OC(=O)C3=CC=CC=C3.[I-]","YHSOSQOPJPNVRF-UHFFFAOYSA-M",387988,NA,"PDBC03473","682354","Present",NA,NA
+"3474","(1-Piperidin-1-ylcyclohexyl)-pyridin-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(1-Piperidyl)cyclohexyl]-(2-pyridyl)methanone",NA,"C1CCC(CC1)(C(=O)C2=CC=CC=N2)N3CCCCC3","VYADQVMXQJHITO-UHFFFAOYSA-N",398095,NA,"PDBC03474","707460","Present",NA,NA
+"3475","(1-Piperidin-1-ylcyclohexyl)-thiophen-2-ylmethanimine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(1-Piperidyl)cyclohexyl]-(2-thienyl)methanimine hydrochloride",NA,"C1CCC(CC1)(C(=N)C2=CC=CS2)N3CCCCC3.Cl","ZTDQSNMIVSGZNC-UHFFFAOYSA-N",398718,NA,"PDBC03475","708860","Present",NA,NA
+"3476","(1-Tert-Butoxycarbonylamino-2-phenyl-ethyl)-carbamic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Tert-Butoxycarbonylamino-2-phenyl-ethyl)-carbamic acid methyl ester",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)NC(=O)OC","SPDSSLVSUXCAKH-UHFFFAOYSA-N",381630,NA,"PDBC03476","668452","Present",NA,NA
+"3477","(1-Tert-Butoxycarbonylamino-ethyl)-carbamic acid benzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Tert-Butoxycarbonylamino-ethyl)-carbamic acid benzyl ester",NA,"CC(NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C","CMCNCUNSYCAMND-UHFFFAOYSA-N",381632,NA,"PDBC03477","668454","Present",NA,NA
+"3478","(1-Tert-butylazetidin-3-yl) carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Tert-butylazetidin-3-yl) carbamate",NA,"CC(C)(C)N1CC(C1)OC(=O)N","RCCMFJATAAXGHZ-UHFFFAOYSA-N",307963,NA,"PDBC03478","206630","Present",NA,NA
+"3479","(1.frdarw.3)-.alpha.-D-mannopyranan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1.frdarw.3)-.alpha.-D-mannopyranan",NA,NA,NA,NA,NA,"PDBC03479","625662","Present",NA,NA
+"3480","(10,10-Dioxophenoxathiin-2-yl)methyl carbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691901",NA,"C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)CSC(=N)N.Cl","OBCHTXXRCHNECI-UHFFFAOYSA-N",392090,NA,"PDBC03480","691901","Present",NA,NA
+"3481","(10-Acetyloxy-2-tetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaenyl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10-Acetyloxy-2-tetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,11,13,15-hexaenyl) acetate",NA,"CC(=O)OC1C2C3=CC=CC=C3C2(CC4=CC=CC=C14)OC(=O)C","QILKONMDKUVPBN-UHFFFAOYSA-N",275814,NA,"PDBC03481","122896","Present",NA,NA
+"3482","(10-Benzoyl-5-methyl-10,11-dihydro-5H-pyrrolo[1,2-b][1,2,5]benzotriazepin-11-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Benzoyl-10-methyl-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl)acetic acid",NA,"CN1C2=CC=CC=C2N(C(C3=CC=CN31)CC(=O)O)C(=O)C4=CC=CC=C4","KQJDYJBNQCGBPQ-UHFFFAOYSA-N",370732,NA,"PDBC03482","644251","Present",NA,NA
+"3483","(10-Methylanthracen-9-yl)methyl carbamimidothioate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudourea, 2-[(10-methyl-9-anthryl)methyl]-2-thio-, mon...",NA,"CC1=C2C=CC=CC2=C(C3=CC=CC=C13)CSC(=N)N.Cl","VIBMUYOXJUCEMA-UHFFFAOYSA-N",16759161,NA,"PDBC03483","146109","Present",NA,NA
+"3484","(10-methyl-anthracen-9-yl-methylene-hydrazinocarbonylmet...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10-methyl-anthracen-9-yl-methylene-hydrazinocarbonylmet...",NA,"CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C=NNC(=O)CSCC(=O)NN=CC4=C5C=CC=CC5=C(C6=CC=CC=C64)C","BPQKRZGNIIZLIA-RIOOQTRLSA-N",9572689,NA,"PDBC03484","724341","Present",NA,NA
+"3485","(10As)-10-Thioxo-1,2,3,9,10,10a-hexahydro-4H-3a,9-diazabenzo[f]azulene-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As)-6-sulfanylidene-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,"C1CC2C(=S)NC3=CC=CC=C3C(=O)N2C1","BZHZJGWHSFMMMN-JTQLQIEISA-N",5470551,NA,"PDBC03485","703015","Present",NA,NA
+"3486","(10E)-10-(Benzhydrylidenehydrazinylidene)phenanthren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10E)-10-(Benzhydrylidenehydrazinylidene)phenanthren-9-one",NA,"C1=CC=C(C=C1)C(=NN=C2C3=CC=CC=C3C4=CC=CC=C4C2=O)C5=CC=CC=C5","AEKFBNIVRZUCFQ-PBBVDAKRSA-N",5834467,NA,"PDBC03486","406431","Present",NA,NA
+"3487","(10E)-10-(Pyridin-2-ylmethylidene)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10E)-10-(Pyridin-2-ylmethylidene)-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione",NA,"C1=CC=NC(=C1)C=C2C=C3C4=C(C2=O)C=CC=C4C(=O)O3","KUSUTJFEGJVOPV-CSKARUKUSA-N",5468621,NA,"PDBC03487","672907","Present",NA,NA
+"3488","(10E)-10-[(4-Methylphenyl)methylidene]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10E)-10-[(4-Methylphenyl)methylidene]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione",NA,"CC1=CC=C(C=C1)C=C2C=C3C4=C(C2=O)C=CC=C4C(=O)O3","UMRILSLRJHMMSU-UKTHLTGXSA-N",5468448,NA,"PDBC03488","670556","Present",NA,NA
+"3489","(10E)-10-[(4-Nitrophenyl)methylidene]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10E)-10-[(4-Nitrophenyl)methylidene]-2-oxatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione",NA,"C1=CC2=C3C(=C1)C(=O)OC3=CC(=CC4=CC=C(C=C4)[N+](=O)[O-])C2=O","KHKXRTOHHSKYNA-DHZHZOJOSA-N",5468620,NA,"PDBC03489","672906","Present",NA,NA
+"3490","(10E)-11-(2-Chlorophenyl)-1-phenyl-9-oxa-2-thia-5,10-diazadodec-10-en-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10E)-11-(2-Chlorophenyl)-1-phenyl-9-oxa-2-thia-5,10-diazadodec-10-en-7-ol",NA,"CC(=NOCC(CNCCSCC1=CC=CC=C1)O)C2=CC=CC=C2Cl","OWCXOARYKZIWND-XQNSMLJCSA-N",13399668,NA,"PDBC03490","382270","Present",NA,NA
+"3491","(10E)-6-(3,4,5-Trimethoxyphenyl)-10-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,6a,7,8,9-hexahydrobenzo[b][1,4]benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E,4aE)-4-(3,4,5-trimethoxybenzylidene)-11-(3,4,5-trime...",NA,"COC1=CC(=CC(=C1OC)OC)C=C2CCCC3C2=NC4=CC=CC=C4NC3C5=CC(=C(C(=C5)OC)OC)OC","FTECDNOFJKHBOG-XSFVSMFZSA-N",155808086,NA,"PDBC03491","763273","Present",NA,NA
+"3492","(10E)-6-(4-Chlorophenyl)-10-[(4-chlorophenyl)methylidene]-5,6,6a,7,8,9-hexahydrobenzo[b][1,4]benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E,4aE)-4-(4-chlorobenzylidene)-11-(4-chlorophenyl)-2,3...",NA,"C1CC2C(NC3=CC=CC=C3N=C2C(=CC4=CC=C(C=C4)Cl)C1)C5=CC=C(C=C5)Cl","LQKIXZKXLFKWJB-KNTRCKAVSA-N",155804956,NA,"PDBC03492","763271","Present",NA,NA
+"3493","(10E)-7-Hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10E)-7-Hydroxy-3,10-dimethyl-6-methylidene-3,3a,4,5,7,8,9,11a-octahydrocyclodeca[b]furan-2-one",NA,"CC1C2CCC(=C)C(CCC(=CC2OC1=O)C)O","LEXBBZCFWJNTGC-CMDGGOBGSA-N",13821240,NA,"PDBC03493","726176","Present",NA,NA
+"3494","(10E,12Z)-10,12-Octadecadienoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-10, cis-12 octadecadienoic acid, methyl ester",NA,"CCCCCC=CC=CCCCCCCCCC(=O)OC","KMXSXYSNZMSDFK-UQGDGPGGSA-N",5471014,NA,"PDBC03494","707238","Present",NA,NA
+"3495","(10S)-3,10-Dimethyl-8-methylsulfanyl-4-phenyl-5-(3-piperidin-1-ylpropyl)-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10S)-3,10-Dimethyl-8-methylsulfanyl-4-phenyl-5-(3-piperidin-1-ylpropyl)-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one",NA,"CC1CC(=O)N=C2N1C(=NC3=C2C(=C(N3CCCN4CCCCC4)C5=CC=CC=C5)C)SC","XWYUCFJURDRGHK-SFHVURJKSA-N",54613121,NA,"PDBC03495","748289","Present",NA,NA
+"3496","(10S,11R,15S)-17-Methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10S,11R,15S)-17-Methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione",NA,"CC1=C2C(C3CCOC3O1)C(=O)C4=CC=CC=C4C2=O","GNAKOCUQEFTIJE-FFSVYQOJSA-N",54611664,NA,"PDBC03496","722394","Present",NA,NA
+"3497","(10S,11S,15S)-15-Ethoxy-17-methyl-16-oxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10S,11S,15S)-15-Ethoxy-17-methyl-16-oxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(17),3,5,7-tetraene-2,9-dione",NA,"CCOC12CCCC1C3C(=C(O2)C)C(=O)C4=CC=CC=C4C3=O","FYMFFKXIHWNLIT-QOKNQOGYSA-N",405256,NA,"PDBC03497","722388","Present",NA,NA
+"3498","(11-((4-Hydroxy-3-methoxybenzoyl)oxy)undecyl)triphenylphosphonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mito-apocyanin (C11)",NA,"COC1=C(C=CC(=C1)C(=O)OCCCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O","IPYVPVIBAGRGSO-UHFFFAOYSA-O",49802418,NA,"PDBC03498","775613","Present",NA,NA
+"3499","(11-Methoxy-2-oxo-4,5,6,7,7a,8-hexahydro-3H-phenanthro[9,8a-b]pyrrol-12-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11-Methoxy-2-oxo-4,5,6,7,7a,8-hexahydro-3H-phenanthro[9,8a-b]pyrrol-12-yl) acetate",NA,"CC(=O)OC1=C(C=CC2=C1C3=CC(=O)CCC34CCNC4C2)OC","ITOZXSNVASSYGQ-UHFFFAOYSA-N",356119,NA,"PDBC03499","611212","Present",NA,NA
+"3500","(11As)-2-[2-Oxo-2-[3-(1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinoline-2-yl)propylamino]ethylidene]-7-methoxy-8-(benzyloxy)-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-5-[8-bezyloxy-7-methoxy-5-oxo-(11aS)-1H,2H,3H,5H-bezo[...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(=CC(=O)NCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O)CC3C=N2)OCC7=CC=CC=C7","UBENMYCIDBVLAH-FCYPAOMHSA-N",24202798,NA,"PDBC03500","725981","Present",NA,NA
+"3501","(11As)-7-Methoxy-8-(3-morpholinopropoxy)-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-8-[3-(1,4-oxazinan-4-yl)propoxy-(11aS)-2,3,5,1...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4CCOCC4","JRLQATIABHKHSA-HNNXBMFYSA-N",403927,NA,"PDBC03501","719667","Present",NA,NA
+"3502","(11As)-7-Methoxy-8-[2-(methylsulfonyloxy)ethoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[7-methoxy-5-oxo-(11aS)-2,3,511a-tetrahydro-1H-benzo[e...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCOS(=O)(=O)C","FCWHJANEFNPUIU-NSHDSACASA-N",406090,NA,"PDBC03502","724008","Present",NA,NA
+"3503","(11As)-7-Methoxy-8-[3-(4-methylpiperazino)propoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-8-[3-(4-methylhexahydro-1-pyrazinyl)propoxyl -...",NA,"CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC","DAAQBVONDJCFEB-INIZCTEOSA-N",403925,NA,"PDBC03503","719665","Present",NA,NA
+"3504","(11As)-7-Methoxy-8-[3-(diethylamino)propoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[3-diethylaminopropoxyl-7-methoxy-(11aS)-2,3,5,11a -te...",NA,"CCN(CC)CCCOC1=C(C=C2C(=C1)N=CC3CCCN3C2=O)OC","SOCRNCWWGVLTJY-HNNXBMFYSA-N",403926,NA,"PDBC03504","719666","Present",NA,NA
+"3505","(11As)-7-Methoxy-8-[3-(methylsulfonyloxy)propoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-tetrahydro-1H-benxo[...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCOS(=O)(=O)C","ONUWKIHUDIFIBM-LBPRGKRZSA-N",406091,NA,"PDBC03505","724009","Present",NA,NA
+"3506","(11As)-7-Methoxy-8-[4-oxo-4-(1-pyrenylamino)butoxy]-2,3,5,11abeta-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-N-pyren-1-ylbutanamide",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCC(=O)NC4=C5C=CC6=CC=CC7=C6C5=C(C=C7)C=C4","XOQUFJSVWGYLOM-QHCPKHFHSA-N",9893243,NA,"PDBC03506","726260","Present",NA,NA
+"3507","(11As)-7-Methoxy-8-[5-oxo-5-(chrysene-6-ylamino)pentoxy]-1,2,3,11abeta-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]-N-chrysen-6-ylpentanamide",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCC(=O)NC4=CC5=C(C=CC6=CC=CC=C65)C7=CC=CC=C74","QZDNCYWWSBWICE-DEOSSOPVSA-N",11757768,NA,"PDBC03507","726259","Present",NA,NA
+"3508","(11As)-7-methoxy-8-(4-2-methoxy-4-[5-(3,5-trimethoxyphenyl)-4,5-dihydro-3-isoxazolyl]phenoxybutoxy)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-7-methoxy-8-(4-2-methoxy-4-[5-(3,4,5-trimethoxyph...",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=NO2)C3=CC(=C(C=C3)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","JNOMYAFGRADGOL-CTLOQAHHSA-N",44224281,NA,"PDBC03508","744336","Present",NA,NA
+"3509","(11As)-7-methoxy-8-(4-2-methoxy-5-[3-(3,5-trimethoxyphenyl)-4,5-dihydro-5-isoxazolyl]phenoxybutoxy)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-7-methoxy-8-(4-2-methoxy-5-[3-(3,4,5-trimethoxyph...",NA,"COC1=C(C=C(C=C1)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OC)OC)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","DPYUJKQDLJBHMB-CTLOQAHHSA-N",45028799,NA,"PDBC03509","744335","Present",NA,NA
+"3510","(11As)-7-methoxy-8-(5-[4-(4-quinazolinyl)piperazino]pentyloxy)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-7-methoxy-8-(5-[4-(4-quinazolinyl)piperazino]pent...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4CCN(CC4)C5=NC=NC6=CC=CC=C65","QDKRGBUDNUCBGJ-UHFFFAOYSA-N",45028548,NA,"PDBC03510","743135","Present",NA,NA
+"3511","(11As)-7-methoxy-8-3-[4-(4-quinazolinyl)piperazino]propoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-7-methoxy-8-3-[4-(4-quinazolinyl)piperazino]propo...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4CCN(CC4)C5=NC=NC6=CC=CC=C65","ZOMBISVGMSQISI-UHFFFAOYSA-N",45028540,NA,"PDBC03511","743121","Present",NA,NA
+"3512","(11As)-7-methoxy-8-[3-(2-methoxy-4-(E)-3-oxo-3-[4-(3,5-trimethoxybenzoyl)piperazino]-1-propenylphenoxy)propoxy]-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-7-methoxy-8-[3-(2-methoxy-4-(E)-3-oxo-3-[4-(3,4,5...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)OCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","PJJRQEJQCFPFNT-LNMUWQJVSA-N",45029287,NA,"PDBC03512","746032","Present",NA,NA
+"3513","(11As)-7-methoxy-8-[3-(4-{3-[(7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-7-methoxy-8-[3-(4-{3-[(7-methoxy-2,2-dimethyl-2H-...",NA,"CC1(C=CC2=CC(=C(C=C2O1)OC)OCCCN3CCN(CC3)CCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)C","AUSABBPUVJJYMF-SANMLTNESA-N",45028794,NA,"PDBC03513","744329","Present",NA,NA
+"3514","(11As)-8-(3-[(11aS)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropoxy)-2,2-difluoro-7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-8-(3-[(11aS)-2,2-difluoro-7-methoxy-5-oxo-2,3,5,1...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)(F)F)OCCCOC4=C(C=C5C(=C4)N=CC6CC(CN6C5=O)(F)F)OC","HWXGXRCAHRQTKR-IRXDYDNUSA-N",24780427,NA,"PDBC03514","741459","Present",NA,NA
+"3515","(11As)-8-(3-{4-[(E)-3-(2-hydroxyphenyl)-3-oxo-1-propenyl]-2-methoxyphenoxy}propoxy)-7-methoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-8-(3-{4-[(E)-3-(2-hydroxyphenyl)-3-oxo-1-propenyl...",NA,"COC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2O)OCCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC","IFVRGFMZYKIFQI-YUAYGMJFSA-N",24863867,NA,"PDBC03515","744023","Present",NA,NA
+"3516","(11As)-8-[(5-2-[4-(benzyloxy)phenyl]-6-morpholino-1H-benzo[d]imidazol-1-ylpentyl)oxy]-7-methoxy-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-8-[(5-2-[4-(benzyloxy)phenyl]-6-morpholino-1H-ben...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4C5=C(C=C(C=C5)N6CCOCC6)N=C4C7=CC=C(C=C7)OCC8=CC=CC=C8","HWEKFJXMKSCVKS-XIFFEERXSA-N",45028741,NA,"PDBC03516","744018","Present",NA,NA
+"3517","(11As)-8-[3-(4-6-[4-(3-[(11aR)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropoxy)phenyl]-[(4-methylphenyl)sulphonyl]-9H-3-carbazolylphenoxy)propoxy]-7-methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-8-[3-(4-6-[4-(3-[(11aR)-7-methoxy-5-oxo-2,3,5,11a...",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)C4=CC=C(C=C4)OCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC)C8=C2C=CC(=C8)C9=C=C=C(C=C9)OCCCOC1=C(C=C2C(=C1)N=CC1CCCN1C2=O)OC","PCIPXGSJKWTRII-ZYBCLOSLSA-N",45028944,NA,"PDBC03517","744991","Present",NA,NA
+"3518","(11Bs)-4-(2-hydroxyethyl)-4,4a,5,11b-tetrahydro-3H-[1,3]dioxolo[4,5-j]phenanthridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11Bs)-4-(2-hydroxyethyl)-3,4a,5,11b-tetrahydro[1,3]dioxolo[4,5-j]phenanthridin-6(4H)-one",NA,"C1C=CC2C(C1CCO)NC(=O)C3=CC4=C(C=C23)OCO4","MHLPRVLDJATVNE-VOZQYIJBSA-N",375352,NA,"PDBC03518","654977","Present",NA,NA
+"3519","(11E)-11-(4-Chlorobutylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11E)-11-(4-Chlorobutylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCl)C4=CC5=C(C=C42)OCO5","HOJFDDZDJXTKPO-AWNIVKPZSA-N",5472243,NA,"PDBC03519","717200","Present",NA,NA
+"3520","(11E)-11-(6-Bromohexylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(6'-Bromohexylidene)-5,6-dihydro-2,3-dimethoxy-6-meth...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCCBr)C4=CC5=C(C=C42)OCO5","AGMYPZSHWNZLEM-OVCLIPMQSA-N",5472441,NA,"PDBC03520","718738","Present",NA,NA
+"3521","(11E)-15-(Furan-2-yl)-1-oxacyclopentadec-11-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11E)-15-(Furan-2-yl)-1-oxacyclopentadec-11-en-2-one",NA,"C1CCCCC(=O)OC(CCC=CCCC1)C2=CC=CO2","YPJPLFFXGCTHJF-FNORWQNLSA-N",11994094,NA,"PDBC03521","735216","Present",NA,NA
+"3522","(11R)-11-[(1R,2S)-1-(Methoxycarbonyl)-2-hydroxyheptyl]-9,10-dihydro-9,10-ethanoanthracene-11-carboxylic acid lactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S,3R,4R)-5-oxo-2-pentylspiro[oxolane-4,15'-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene]-3-carboxylate",NA,"CCCCCC1C(C2(CC3C4=CC=CC=C4C2C5=CC=CC=C35)C(=O)O1)C(=O)OC","LUTKLNSELJYLCP-ISBFOORQSA-N",400062,NA,"PDBC03522","711470","Present",NA,NA
+"3523","(11R,15S,17S)-17-Hydroxy-17-methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11R,15S,17S)-17-Hydroxy-17-methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione",NA,"CC1(C2=C(C3CCOC3O1)C(=O)C4=CC=CC=C4C2=O)O","XLXQEYKWUDECRE-VFVAKGGASA-N",54611681,NA,"PDBC03523","722390","Present",NA,NA
+"3524","(11R,15S,17S)-17-Methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11R,15S,17S)-17-Methyl-14,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9-dione",NA,"CC1C2=C(C3CCOC3O1)C(=O)C4=CC=CC=C4C2=O","LRTQSQVCOFGTEF-XLNKKQEUSA-N",54611663,NA,"PDBC03524","722392","Present",NA,NA
+"3525","(11Z)-11-(5-Bromopentylidene)-15,16-dimethoxy-20-methyl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-19-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(5'-Bromopentylidine)-5,6-dihydro-2,3-dimethoxy-6-met...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCBr)C4=CC5=C(C=C42)OCO5","SQENEFJLFQRMKV-AUWJEWJLSA-N",5472472,NA,"PDBC03525","719162","Present",NA,NA
+"3526","(11Z)-11-[(4-Bromophenyl)methylidene]-3,5-diethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-7-(4-bromobenzylidene)-1,3-diethyl-1,3a,4,9a-tetrahy...",NA,"CCN1C2C(N(C1=O)CC)N3C(=O)C(=CC4=CC=C(C=C4)Br)SC3=NN2","GVKHZFYVDCQFOG-XFXZXTDPSA-N",155815700,NA,"PDBC03526","803205","Present",NA,NA
+"3527","(11Z)-14-(Furan-2-yl)-1-oxacyclotetradec-11-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11Z)-14-(Furan-2-yl)-1-oxacyclotetradec-11-en-2-one",NA,"C1CCCCC(=O)OC(CC=CCCC1)C2=CC=CO2","IKLIDANFHXMHER-VURMDHGXSA-N",11994738,NA,"PDBC03527","735215","Present",NA,NA
+"3528","(11Z)-3,5-Diethyl-11-(2-oxo-1-prop-2-enylindol-3-ylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-7-(1-allyl-2-oxoindolin-3-ylidene)-1,3-diethyl-1,3a,...",NA,"CCN1C2C(N(C1=O)CC)N3C(=O)C(=C4C5=CC=CC=C5N(C4=O)CC=C)SC3=NN2","TWKINMOTSUUZOA-PFONDFGASA-N",155811052,NA,"PDBC03528","803209","Present",NA,NA
+"3529","(11Z)-3,5-Diethyl-11-(2-oxo-1-propan-2-ylindol-3-ylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1,3-diethyl-7-(1-isopropyl-2-oxoindolin-3-ylidene)-1...",NA,"CCN1C2C(N(C1=O)CC)N3C(=O)C(=C4C5=CC=CC=C5N(C4=O)C(C)C)SC3=NN2","OIUOJZJONIMIOP-PFONDFGASA-N",155811115,NA,"PDBC03529","799674","Present",NA,NA
+"3530","(11Z)-3,5-Diethyl-11-(furan-2-ylmethylidene)-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1,3-diethyl-7-(furan-2-ylmethylene)-1,3a,4,9a-tetrah...",NA,"CCN1C2C(N(C1=O)CC)N3C(=O)C(=CC4=CC=CO4)SC3=NN2","PWICDZUYUAIKPV-NTMALXAHSA-N",155814219,NA,"PDBC03530","803212","Present",NA,NA
+"3531","(11Z)-3,5-Dimethyl-11-[[4-(trifluoromethyl)phenyl]methylidene]-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1,3-dimethyl-7-(4-(trifluoromethyl)benzylidene)-1,3a...",NA,"CN1C2C(N(C1=O)C)N3C(=O)C(=CC4=CC=C(C=C4)C(F)(F)F)SC3=NN2","MNNWKCCCJBKURB-YFHOEESVSA-N",155812593,NA,"PDBC03531","803211","Present",NA,NA
+"3532","(11Z)-N,9-Dimethoxy-11-methoxyiminoindeno[1,2-c]quinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11Z)-N,9-Dimethoxy-11-methoxyiminoindeno[1,2-c]quinolin-6-amine",NA,"COC1=CC2=C(C=C1)C3=C(C2=NOC)C4=CC=CC=C4N=C3NOC","LUQCLZAWHFUFPP-UZYVYHOESA-N",24205237,NA,"PDBC03532","734655","Present",NA,NA
+"3533","(11beta,17beta)-17-Hydroperoxy-11-[3,4-(methylenedioxy)p...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11beta,17beta)-17-Hydroperoxy-11-[3,4-(methylenedioxy)p...",NA,NA,NA,NA,NA,"PDBC03533","791572","Present",NA,NA
+"3534","(12Br)-4a-hydroxy-9-methoxy-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(12Br)-4a-hydroxy-9-methoxy-1,2,3,4,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",NA,"COC1=C2C3=C(CC4C5(C3(CCN4)C(O2)C(=O)C=C5)O)C=C1","WCEICHOCRFRVDG-YFVDEALNSA-N",399905,NA,"PDBC03534","711041","Present",NA,NA
+"3535","(12R)-18-Methoxy-13-methyl-19-(1-phenyltetrazol-5-yl)oxy-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(20),2(10),3(7),8,16,18-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(12R)-18-Methoxy-13-methyl-19-(1-phenyltetrazol-5-yl)oxy-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(20),2(10),3(7),8,16,18-hexaene",NA,"CN1CCC2=CC(=C(C3=C2C1CC4=C3C5=C(C=C4)OCO5)OC6=NN=NN6C7=CC=CC=C7)OC","ZJKPYIQIZSTUHK-GOSISDBHSA-N",401794,NA,"PDBC03535","715524","Present",NA,NA
+"3536","(12R)-6,8,18-Trioxa-13-azapentacyclo[10.5.1.01,14.03,11.05,9]octadeca-3,5(9),10-trien-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(12R)-6,8,18-Trioxa-13-azapentacyclo[10.5.1.01,14.03,11.05,9]octadeca-3,5(9),10-trien-2-one",NA,"C1CC2C3(C1)C(=O)C4=CC5=C(C=C4C(N2)O3)OCO5","APJLGROTJSAOAA-HRDQMINSSA-N",6711329,NA,"PDBC03536","619174","Present",NA,NA
+"3537","(12R,16S)-3',4'-Dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(12R,16S)-3',4'-Dimethoxy-5,5-dimethylspiro[6,14,17-trioxatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),3,8-tetraene-13,6'-cyclohexa-2,4-diene]-1',11-dione",NA,"CC1(C=CC2=C(O1)C=CC3=C2OC4COC5(C4C3=O)C=C(C(=CC5=O)OC)OC)C","SEEWCETYCHIPHH-OECOBVRJSA-N",372062,NA,"PDBC03537","646926","Present",NA,NA
+"3538","(12Z)-3,4,6-Trimethoxy-5,13-dimethyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(12Z)-3,4,6-Trimethoxy-5,13-dimethyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-10-thione",NA,"CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)NC(=S)C(C2)N3C)C(=C1OC)OC)OC","VPEFRPWQRUAKGB-YVLHZVERSA-N",5387238,NA,"PDBC03538","622080","Present",NA,NA
+"3539","(13As,14S)-2,3,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzo[f,h]pyrrolo[1,2-b]isoquinolin-14-ol, 9,11,12,13,...",NA,"COC1=C(C=C2C(=C1)C3=C(C(C4CCCN4C3)O)C5=CC(=C(C=C25)OC)OC)OC","JWHWLMNMGLICQZ-MHECFPHRSA-N",402628,NA,"PDBC03539","716802","Present",NA,NA
+"3540","(13Br)-2-chloro-5-methyl-6-propan-2-yl-6,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(13Br)-2-chloro-5-methyl-6-(1-methylethyl)-5,8,9,13b-tetrahydro-6h-isoquino[2,1-c]quinazoline",NA,"CC(C)C1N(C2=C(C=C(C=C2)Cl)C3N1CCC4=CC=CC=C34)C","XBSDRVLMVXVBCE-FIWHBWSRSA-N",403690,NA,"PDBC03540","718879","Present",NA,NA
+"3541","(13R)-1alpha,6beta,7beta-Triacetoxy-9-hydroxy-8,13-epoxylabda-14-ene-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3R,4Ar,5S,6S,6aS,10S,10aR,10bS)-5,6-diacetyloxy-3-ethenyl-10b-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10-yl] acetate",NA,"CC(=O)OC1CCC(C2C1(C3(C(=O)CC(OC3(C(C2OC(=O)C)OC(=O)C)C)(C)C=C)O)C)(C)C","UVRUOGMAOOKEHN-XMGVQCCFSA-N",396204,NA,"PDBC03541","701756","Present",NA,NA
+"3542","(13R,17R)-13-Methyl-17-[(2R)-6-methylheptan-2-yl]-5,6,9,10,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(13R,17R)-13-Methyl-17-[(2R)-6-methylheptan-2-yl]-5,6,9,10,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-1,4-dione",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2=CCC4C3C(=O)C=CC4=O)C","NDOXBXQOMXCQJK-ZFMKNYSTSA-N",54613423,NA,"PDBC03542","750440","Present",NA,NA
+"3543","(13S,15S)-9-Bromo-15-(2-chlorophenyl)-16-oxa-1-azatetracyclo[11.2.1.02,11.03,8]hexadeca-2(11),3,5,7,9-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-bromo-2-exo-(2-chlorophenyl)-2,3,4,5-tetrahydro-1,4-ep...",NA,"C1C2CC3=C(C4=CC=CC=C4C(=C3)Br)N(C1C5=CC=CC=C5Cl)O2","OAYDPJZXYZUTKH-DJJJIMSYSA-N",155814437,NA,"PDBC03543","755040","Present",NA,NA
+"3544","(13S,17S)-17-[2-[4-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(13S,17S)-17-[2-[4-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenyl]ethynyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol",NA,"CC12CCC3C(C1CCC2(C#CC4=CC=C(C=C4)C#CC=CC#CC5=CC=CC=C5N)O)CCC6=C3C=CC(=C6)O","PXSFENQINMHMIC-LTDKXCTPSA-N",24203773,NA,"PDBC03544","729470","Present",NA,NA
+"3545","(13Z)-13-(Pyridin-2-ylmethylidene)-4,7-dioxa-14-thia-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),9,15-tetraen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(13Z)-13-(Pyridin-2-ylmethylidene)-4,7-dioxa-14-thia-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3(8),9,15-tetraen-12-one",NA,"C1COC2=C(O1)C=C3C(=C2)N4C(=O)C(=CC5=CC=CC=N5)SC4=N3","IZSFWOOVKAQDAG-CHHVJCJISA-N",5470121,NA,"PDBC03545","697787","Present",NA,NA
+"3546","(13Z)-15-Ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,13,16-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(13Z)-15-Ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,13,16-hexaene",NA,"CCC12CN(CCC3=C(C=C1)NC4=CC=CC=C34)CC=C2","MSGYVJRBNLKUPF-FLIBITNWSA-N",5467028,NA,"PDBC03546","646969","Present",NA,NA
+"3547","(14R)-11,15-Dimethoxy-5-methyl-13-oxa-5,18,19-triazaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,22-tetraene-17,20-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(14R)-11,15-Dimethoxy-5-methyl-13-oxa-5,18,19-triazaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,22-tetraene-17,20-dione",NA,"CN1CCC23C4C5(C=CC2(C1CC6=C3C(=C(C=C6)OC)O4)C7C5C(=O)NNC7=O)OC","AFJWFELZLJUDQA-JHAOIRJCSA-N",398688,NA,"PDBC03547","708837","Present",NA,NA
+"3548","(14R)-11,15-Dimethoxy-5-methyl-18-phenyl-13-oxa-5,18-diazaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11,21-tetraene-17,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(14R)-11,15-Dimethoxy-5-methyl-18-phenyl-13-oxa-5,18-diazaheptacyclo[13.5.2.12,8.01,6.02,14.016,20.012,23]tricosa-8(23),9,11,21-tetraene-17,19-dione",NA,"CN1CCC23C4C5(C=CC2(C1CC6=C3C(=C(C=C6)OC)O4)C7C5C(=O)N(C7=O)C8=CC=CC=C8)OC","HOPYOUDXKXJONB-HZNQOFPLSA-N",398697,NA,"PDBC03548","708844","Present",NA,NA
+"3549","(14R,15R)-11,15-Dimethoxy-5,14-dimethyl-13-oxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,16,18,20,22-heptaene-17,20-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(14R,15R)-11,15-Dimethoxy-5,14-dimethyl-13-oxa-5-azaheptacyclo[13.6.2.12,8.01,6.02,14.016,21.012,24]tetracosa-8(24),9,11,16,18,20,22-heptaene-17,20-diol",NA,"CC12C34CCN(C(C35C=CC1(C6=C(C=CC(=C56)O)O)OC)CC7=C4C(=C(C=C7)OC)O2)C","QMJLOWCMXXVLQW-BGYFKORMSA-N",371882,NA,"PDBC03549","646464","Present",NA,NA
+"3550","(14R,15R)-15-Methyl-14-[(2R)-6-methylheptan-2-yl]-2,7-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-4,9-diene-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(14R,15R)-15-Methyl-14-[(2R)-6-methylheptan-2-yl]-2,7-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-4,9-diene-3,6-dione",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2=CCN4N3C(=O)C=CC4=O)C","OSKWPXWEGHYFGQ-BHVDBZJUSA-N",54613624,NA,"PDBC03550","750441","Present",NA,NA
+"3551","(15Z,21Z)-2,10-Dioxa-16,17,20,21,30-pentazatetracyclo[21.2.2.211,14.14,8]triaconta-1(26),4(30),5,7,11,13,15,21,23(27),24,28-undecaene-18,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(15Z,21Z)-2,10-Dioxa-16,17,20,21,30-pentazatetracyclo[21.2.2.211,14.14,8]triaconta-1(26),4(30),5,7,11,13,15,21,23(27),24,28-undecaene-18,19-dione",NA,"C1C2=NC(=CC=C2)COC3=CC=C(C=C3)C=NNC(=O)C(=O)NN=CC4=CC=C(O1)C=C4","OBCAQPLOYLYZET-CPGLPWGESA-N",9572515,NA,"PDBC03551","718898","Present",NA,NA
+"3552","(16-Acetyloxy-20-benzyl-10,14-dimethyl-19,21-dioxo-20-azahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-4,15-dien-7-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(16-Acetyloxy-20-benzyl-10,14-dimethyl-19,21-dioxo-20-azahexacyclo[12.10.0.02,11.05,10.015,23.018,22]tetracosa-4,15-dien-7-yl) acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4=C(CC6C5C(=O)N(C6=O)CC7=CC=CC=C7)OC(=O)C)C)C","LSSPIOYZZCPTLA-UHFFFAOYSA-N",250204,NA,"PDBC03552","69294","Present",NA,NA
+"3553","(16-Oxo-16-prop-2-enoxyhexadecyl) (4aR,7S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-1-oxo-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(16-Oxo-16-prop-2-enoxyhexadecyl) (4aR,7S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-1-oxo-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-4a,5,6,7-tetrahydro-2H-p",NA,"CCC(C=CCCC1(OCCO1)CC2CCC3N2C(=O)NC(=C3C(=O)OCCCCCCCCCCCCCCCC(=O)OCC=C)CCCC(C)O[Si](C)(C)C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C","VALIMKUNPLWQIB-VLFQUQIDSA-N",5470390,NA,"PDBC03553","700562","Present",NA,NA
+"3554","(16-Oxo-16-prop-2-enoxyhexadecyl) (4aS,7S)-1-amino-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(16-Oxo-16-prop-2-enoxyhexadecyl) (4aS,7S)-1-amino-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-4a,5,6,7-tetrahydropyr",NA,"CCC(C=CCCC1(OCCO1)CC2CCC3N2C(=NC(=C3C(=O)OCCCCCCCCCCCCCCCC(=O)OCC=C)CCCC(C)O[Si](C)(C)C(C)(C)C)N)O[Si](C(C)C)(C(C)C)C(C)C.Cl","CRZRMIGJRCMDHA-VVILWOSTSA-N",5470386,NA,"PDBC03554","700560","Present",NA,NA
+"3555","(16-Oxo-16-prop-2-enoxyhexadecyl) (7S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-1-oxo-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(16-Oxo-16-prop-2-enoxyhexadecyl) (7S)-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-1-oxo-7-[[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]methyl]-6,7-dihydro-5H-pyrrolo[1,2-c",NA,"CCC(C=CCCC1(OCCO1)CC2CCC3=C(C(=NC(=O)N23)CCCC(C)O[Si](C)(C)C(C)(C)C)C(=O)OCCCCCCCCCCCCCCCC(=O)OCC=C)O[Si](C(C)C)(C(C)C)C(C)C","RRQUKHUCOAQGOL-MCKCYOIJSA-N",5470391,NA,"PDBC03555","700563","Present",NA,NA
+"3556","(16E)-16-Hydroxyimino-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(16E)-16-Hydroxyimino-13-methyl-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol",NA,"CC12CCC3C(C1CC(=NO)C2O)CCC4=C3C=CC(=C4)O","DHGQGHPAXZZPPP-KNTRCKAVSA-N",5351963,NA,"PDBC03556","112737","Present",NA,NA
+"3557","(16E)-3-Hydroxy-10,13-dimethyl-16-(pyrrolidin-1-ylmethylidene)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Androst-5-en-17one, 3.beta.-hydroxy-16-(1-pyrrolidinylme...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CN5CCCC5)C4=O)C)O","BLPWZFDTYUVONX-FOCLMDBBSA-N",6147639,NA,"PDBC03557","54709","Present",NA,NA
+"3558","(16Z)-4-Benzyl-4,14,19-triazaheptacyclo[12.11.2.02,6.07,27.08,13.019,26.020,25]heptacosa-1,6,8,10,12,16,20,22,24,26-decaene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(16Z)-4-Benzyl-4,14,19-triazaheptacyclo[12.11.2.02,6.07,27.08,13.019,26.020,25]heptacosa-1,6,8,10,12,16,20,22,24,26-decaene-3,5-dione",NA,"C1C=CCN2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7N1C6=C42)C(=O)N(C5=O)CC8=CC=CC=C8","UEJNGLCATPTPMT-HJWRWDBZSA-N",5387871,NA,"PDBC03558","629021","Present",NA,NA
+"3559","(17-Acetyloxy-17-ethynyl-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(17-Acetyloxy-17-ethynyl-10,13-dimethyl-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-yl) acetate",NA,"CC(=O)OC1=CC2=CCC3C(C2(CC1)C)CCC4(C3CCC4(C#C)OC(=O)C)C","CTTMENFEBDZXHA-UHFFFAOYSA-N",276608,NA,"PDBC03559","124749","Present",NA,NA
+"3560","(18R)-20-[(2,5,9-Trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]-2,5,8,11,14,17-hexaoxa-20-azabicyclo[16.3.0]henicosane-19,21-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(18R)-20-[(2,5,9-Trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methyl]-2,5,8,11,14,17-hexaoxa-20-azabicyclo[16.3.0]henicosane-19,21-dione",NA,"CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN4C(=O)C5C(C4=O)OCCOCCOCCOCCOCCO5)C","UNMCPGLEUMFRRT-AVJYQCBHSA-N",360865,NA,"PDBC03560","623543","Present",NA,NA
+"3561","(1As,6abeta,7aalpha)-1aalpha-Formyl-2aalpha,6-dimethyl-2alpha-(3-oxo-4-methylpentyl)decahydronaphtho[2,3-b]oxirene-6beta-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1aR,2aR,3R,6aS,7R,7aS)-7a-formyl-3,6a-dimethyl-7-(4-methyl-3-oxopentyl)-2,2a,4,5,6,7-hexahydro-1aH-naphtho[6,7-b]oxirene-3-carboxylate",NA,"CC(C)C(=O)CCC1C2(CCCC(C2CC3C1(O3)C=O)(C)C(=O)OC)C","HHDYQUWJOSAPEW-CBMYKLCHSA-N",401433,NA,"PDBC03561","715093","Present",NA,NA
+"3562","(1E)-1-(2,5-Dimethylpyridin-1-ium-1-yl)-1-[3-(5-nitrofuran-2-yl)-1,2,4-oxadiazol-5-yl]prop-1-en-2-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium, 1-[2-hydroxy-1-[3-(5-nitro-2-furanyl)-1,2,4-...",NA,"CC1=C[N+](=C(C=C1)C)C(=C(C)[O-])C2=NC(=NO2)C3=CC=C(O3)[N+](=O)[O-]","YOZLPDXELXKNFE-UHFFFAOYSA-N",24195152,NA,"PDBC03562","176637","Present",NA,NA
+"3563","(1E)-1-(2-Anilino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-ylidene)-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E)-1-(2-Anilino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-ylidene)-3-phenylthiourea",NA,"C1CCC2=C(C1)C3=C(S2)N=C(SC3=NC(=S)NC4=CC=CC=C4)NC5=CC=CC=C5","SEXPYYYQCJOTEN-LHLOQNFPSA-N",6140543,NA,"PDBC03563","679234","Present",NA,NA
+"3564","(1E)-1-(3-Amino-7-methyl-4,6,7-tetrahydro-2H-indazol-2-yl)-3-imino-3-phenylprop-1-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E)-1-(3-amino-7-methyl-4,5,6,7-tetrahydro-2H-indazol-2...",NA,"CC1CCCC2=C(N(N=C12)C(=O)C=C(C3=CC=CC=C3)N)N","MIEMSQAEEIUGSA-UVTDQMKNSA-N",54613124,NA,"PDBC03564","749522","Present",NA,NA
+"3565","(1E)-1-(3-Methylsulfanylpropylsulfanyl)cyclododecene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E)-1-(3-Methylsulfanylpropylsulfanyl)cyclododecene",NA,"CSCCCSC1=CCCCCCCCCCC1","LBZHNGTYOBITGJ-FOWTUZBSSA-N",5468236,NA,"PDBC03565","666407","Present",NA,NA
+"3566","(1E)-1-Hydroxyimino-spiro[4.5]decan-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E)-1-Hydroxyimino-spiro[4.5]decan-6-one",NA,"C1CCC2(CCCC2=NO)C(=O)C1","STJUKIWXBCKCHT-DHZHZOJOSA-N",9569814,NA,"PDBC03566","619945","Present",NA,NA
+"3567","(1E)-1-Pyridin-2-ylethanone quinolin-2-ylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC332424",NA,"CC(=NNC1=NC2=CC=CC=C2C=C1)C3=CC=CC=N3","ZHXBMYNQHKXYCJ-XDHOZWIPSA-N",9555484,NA,"PDBC03567","332424","Present",NA,NA
+"3568","(1E)-1-[(2,4,5-Trimethoxyphenyl)methylene]indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E)-1-[(2,4,5-Trimethoxyphenyl)methylene]indene",NA,"COC1=CC(=C(C=C1C=C2C=CC3=CC=CC=C32)OC)OC","RJQDQZJSACRDTL-GXDHUFHOSA-N",5933794,NA,"PDBC03568","83087","Present",NA,NA
+"3569","(1E)-1-[Amino-(phenanthren-9-ylamino)methylidene]-2-methylguanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidodicarbonimidic diamide, N-methyl-N'-9-phenanthrenyl...",NA,"CN=C(N)N=C(N)NC1=CC2=CC=CC=C2C3=CC=CC=C31.Cl","IQXADJSHEBDZPO-UHFFFAOYSA-N",50938744,NA,"PDBC03569","401366","Present",NA,NA
+"3570","(1E)-3-(6-Azabicyclo[4.4.0]dec-2-yl)-1-(4-nitrophenyl)-2-azaprop-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E)-3-(6-azabicyclo[4.4.0]dec-2-yl)-1-(4-nitrophenyl)-2-azaprop-1-ene",NA,"C1CCN2CCCC(C2C1)CN=CC3=CC=C(C=C3)[N+](=O)[O-]","VCXCNOFLXXFITD-UHFFFAOYSA-N",394205,NA,"PDBC03570","697487","Present",NA,NA
+"3571","(1E,3E)-1,4-Bis(4-methoxyphenyl)-2,3-dinitro-1,3-butadiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Butadiene, 1,4-bis(4-methoxyphenyl)-2,3-dinitro-",NA,"COC1=CC=C(C=C1)C=C(C(=CC2=CC=C(C=C2)OC)[N+](=O)[O-])[N+](=O)[O-]","YWCRACKPLKNGNL-JYFOCSDGSA-N",5469834,NA,"PDBC03571","693132","Present",NA,NA
+"3572","(1E,3E)-1,4-Di(1-naphthyl)-2,3-dinitro-1,3-butadiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,E)-1,4-bis(1-naphthyl)-2,3-dinitro-1,3-butadiene",NA,"C1=CC=C2C(=C1)C=CC=C2C=C(C(=CC3=CC=CC4=CC=CC=C43)[N+](=O)[O-])[N+](=O)[O-]","MDQLGVXVSCTKLA-DFEHQXHXSA-N",5469832,NA,"PDBC03572","693130","Present",NA,NA
+"3573","(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-N,N'-bis(4-ethoxyphenyl)-2-nitrobuta-1,3-diene-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Butadiene-1,4-diamine, 1-(1H-benzotriazol-1-yl)-3,4-...",NA,"CCOC1=CC=C(C=C1)NC(=C(C(=C(NC2=CC=C(C=C2)OCC)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3","CEVMZZGRCDNQBT-OGGGYYITSA-N",5470200,NA,"PDBC03573","698379","Present",NA,NA
+"3574","(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-N-(4-ethoxyphenyl)-N',N'-diethyl-2-nitrobuta-1,3-diene-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-N-(4-ethoxyphenyl)-N',N'-diethyl-2-nitrobuta-1,3-diene-1,4-diamine",NA,"CCN(CC)C(=C(C(=C(NC1=CC=C(C=C1)OCC)N2C3=CC=CC=C3N=N2)[N+](=O)[O-])Cl)Cl","QNHIQUNACJPXIS-FLFKKZLDSA-N",5470208,NA,"PDBC03574","698391","Present",NA,NA
+"3575","(1E,3Z)-1-(Benzotriazol-1-yl)-N'-tert-butyl-3,4-dichloro-N-(4-ethoxyphenyl)-2-nitrobuta-1,3-diene-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E,3Z)-1-(Benzotriazol-1-yl)-N'-tert-butyl-3,4-dichloro-N-(4-ethoxyphenyl)-2-nitrobuta-1,3-diene-1,4-diamine",NA,"CCOC1=CC=C(C=C1)NC(=C(C(=C(NC(C)(C)C)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","KSUKFXCGPFAGFN-FRCMOREXSA-N",5470209,NA,"PDBC03575","698392","Present",NA,NA
+"3576","(1E,3Z,6R,7R,10R)-6-[2-(Furan-3-yl)ethyl]-6,7,10-trimethylcyclodeca-1,3-diene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E,3Z,6R,7R,10R)-6-[2-(Furan-3-yl)ethyl]-6,7,10-trimethylcyclodeca-1,3-diene-1-carboxylic acid",NA,"CC1CCC(C(CC=CC=C1C(=O)O)(C)CCC2=COC=C2)C","GAAVYSXXNLFKBR-NUFBDVPRSA-N",5469448,NA,"PDBC03576","688241","Present",NA,NA
+"3577","(1E,4E)-1,5-Dipyridin-3-ylpenta-1,4-dien-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Pentadien-3-one, 1,5-di-3-pyridyl-",NA,"C1=CC(=CN=C1)C=CC(=O)C=CC2=CN=CC=C2","UWILVEPRHIRCJK-KQQUZDAGSA-N",5382674,NA,"PDBC03577","149286","Present",NA,NA
+"3578","(1E,4E)-1-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)penta-1,4-dien-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E,4E)-1-(2-Hydroxyphenyl)-5-(2-methoxyphenyl)penta-1,4-dien-3-one",NA,"COC1=CC=CC=C1C=CC(=O)C=CC2=CC=CC=C2O","RNDFIDUOVAGOQF-DCIPZJNNSA-N",6284052,NA,"PDBC03578","98938","Present",NA,NA
+"3579","(1E,5Z)-1,6-Dihydroxy-2-[(4-methoxyanilino)-(4-methoxyphenyl)methyl]-1,6-diphenylhexa-1,5-diene-3,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E,5Z)-1,6-Dihydroxy-2-[(4-methoxyanilino)-(4-methoxyphenyl)methyl]-1,6-diphenylhexa-1,5-diene-3,4-dione",NA,"COC1=CC=C(C=C1)C(C(=C(C2=CC=CC=C2)O)C(=O)C(=O)C=C(C3=CC=CC=C3)O)NC4=CC=C(C=C4)OC","ZPVJUAZOCLGOTF-JLHMWKGCSA-N",5472605,NA,"PDBC03579","720423","Present",NA,NA
+"3580","(1E,6E)-1,7-Bis(3,5-ditert-butyl-4-hydroxyphenyl)hepta-1,6-diene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-1,6-heptadiene-3,5-dione",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=CC(=O)CC(=O)C=CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C","FRLWDHDIQCJLBE-WXUKJITCSA-N",5470822,NA,"PDBC03580","705586","Present",NA,NA
+"3581","(1E,6E)-1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)hepta-1,6-diene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis(4-hydroxy-3,5-dimethoxyphenyl)-1,6-heptadiene-3,5-dione",NA,"COC1=CC(=CC(=C1O)OC)C=CC(=O)CC(=O)C=CC2=CC(=C(C(=C2)OC)O)OC","POWBSRUMKJEPOH-KQQUZDAGSA-N",5470820,NA,"PDBC03581","705584","Present",NA,NA
+"3582","(1E,6E)-1,7-Bis(4-hydroxy-3-methoxy-5-methylphenyl)hepta-1,6-diene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis(4-hydroxy-3-methoxy-5-methylphenyl)-1,6-heptadie...",NA,"CC1=CC(=CC(=C1O)OC)C=CC(=O)CC(=O)C=CC2=CC(=C(C(=C2)C)O)OC","UWTIHWBYQAERJU-KQQUZDAGSA-N",5473011,NA,"PDBC03582","723432","Present",NA,NA
+"3583","(1H-Benzimidazol-2-ylhydrazono)(4-methoxyphenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1H-Benzimidazol-2-ylhydrazono)(4-methoxyphenyl)acetic acid",NA,"COC1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3N2)C(=O)O","HHIGDXHKBJDAJU-RGEXLXHISA-N",6300244,NA,"PDBC03583","679197","Present",NA,NA
+"3584","(1R)-1-[6-[2,3,4-Trimethoxy-6-[(5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1,3-benzodioxol-5-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-1-[6-[2,3,4-Trimethoxy-6-[(5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1,3-benzodioxol-5-yl]ethanol",NA,"CC(C1=CC2=C(C=C1C3=C(C(=C(C=C3C4=NC(C(O4)C5=CC=CC=C5)COC)OC)OC)OC)OCO2)O","YVGDTYBGILBISN-FBALMHCPSA-N",6711361,NA,"PDBC03584","623154","Present",NA,NA
+"3585","(1R)-1alpha,8Bbeta-Dihydroxy-3beta-phenyl-3abeta-(1,3-benzodioxol-5-yl)-6,8-dimethoxy-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]benzofuran-2alpha-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,2R,3S,3aR,8bS)-3a-(1,3-benzodioxol-5-yl)-1,8b-dihydroxy-6,8-dimethoxy-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate",NA,"COC1=CC2=C(C(=C1)OC)C3(C(C(C(C3(O2)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6)C(=O)OC)O)O","SAGBWAVFZFVBBQ-GWNOIRNCSA-N",390507,NA,"PDBC03585","687939","Present",NA,NA
+"3586","(1R)-2-(1-Phenylethylamino)cyclohexan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-2-(1-Phenylethylamino)cyclohexan-1-ol",NA,"CC(C1=CC=CC=C1)NC2CCCCC2O","NYCFBNYPXMBDES-UXUKBGGZSA-N",357635,NA,"PDBC03586","617160","Present",NA,NA
+"3587","(1R)-2-(1-Phenylethylamino)cyclopentan-1-ol;(1S)-2-(1-phenylethylamino)cyclopentan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-2-(1-Phenylethylamino)cyclopentan-1-ol;(1S)-2-(1-phenylethylamino)cyclopentan-1-ol",NA,"CC(C1=CC=CC=C1)NC2CCCC2O.CC(C1=CC=CC=C1)NC2CCCC2O","JPKPGRFSKPRNIM-JZXRJMALSA-N",357654,NA,"PDBC03587","617173","Present",NA,NA
+"3588","(1R)-2-(Butylamino)cycloheptan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631810",NA,"CCCCNC1CCCCCC1O.Cl","NIFGWMNPZGHJDG-PSDUUTOMSA-N",364923,NA,"PDBC03588","631810","Present",NA,NA
+"3589","(1R)-2-Aminocyclopentan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-2-Aminocyclopentan-1-ol;hydrochloride",NA,"C1CC(C(C1)O)N.Cl","ZFSXKSSWYSZPGQ-VVNPLDQHSA-N",357638,NA,"PDBC03589","617163","Present",NA,NA
+"3590","(1R)-2-Oxo-3,3-dimethyl-8,9-dimethoxy-1,2,3,5,6,10bbeta-hexahydropyrrolo[2,1-a]isoquinoline-1alpha-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,10Bs)-8,9-dimethoxy-3,3-dimethyl-2-oxo-1,5,6,10b-tetrahydropyrrolo[2,1-a]isoquinoline-1-carbonitrile",NA,"CC1(C(=O)C(C2N1CCC3=CC(=C(C=C23)OC)OC)C#N)C","CVLXSFCTFAGWRX-SWLSCSKDSA-N",396900,NA,"PDBC03590","704079","Present",NA,NA
+"3591","(1R)-2-Oxo-5beta-(tert-butyldimethylsiloxy)-6alpha-allyl-3-cyclohexene-1beta-acetic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-6-prop-2-enylcyclohex-3-en-1-yl]acetate",NA,"CCOC(=O)CC1C(C(C=CC1=O)O[Si](C)(C)C(C)(C)C)CC=C","WENQONDXZXMCST-BFYDXBDKSA-N",401705,NA,"PDBC03591","715435","Present",NA,NA
+"3592","(1R)-2-[[(1R)-1-Phenylethyl]amino]cyclohexan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-2-[[(1R)-1-Phenylethyl]amino]cyclohexan-1-ol;hydrochloride",NA,"CC(C1=CC=CC=C1)NC2CCCCC2O.Cl","BCCOQJSGYYMLLQ-IYWYVAIFSA-N",357643,NA,"PDBC03592","617166","Present",NA,NA
+"3593","(1R)-2-[[(1R)-1-Phenylethyl]amino]cyclopentan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-2-[[(1R)-1-Phenylethyl]amino]cyclopentan-1-ol",NA,"CC(C1=CC=CC=C1)NC2CCCC2O","XRTOQDRFDAUSLY-SJMSNRFBSA-N",357637,NA,"PDBC03593","617162","Present",NA,NA
+"3594","(1R)-3,3-Dibromocamphor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-3,3-Dibromocamphor",NA,"CC1(C2CCC1(C(=O)C2(Br)Br)C)C","OFAQZCPBQBALHS-UHFFFAOYSA-N",376765,NA,"PDBC03594","657822","Present",NA,NA
+"3595","(1R)-6-endo-Benzyloxycamphor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-6-endo-Benzyloxycamphor",NA,"CC1(C2CC(C1(C(=O)C2)C)OCC3=CC=CC=C3)C","OSQUOWRVCLRVFQ-UHFFFAOYSA-N",376775,NA,"PDBC03595","657835","Present",NA,NA
+"3596","(1R,10S,14R)-7-(4-Fluorophenyl)-10,14-dimethyl-19-oxa-6,7,9-triazahexacyclo[11.9.0.02,10.04,8.014,20.018,20]docosa-4(8),5-dien-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,10S,14R)-7-(4-Fluorophenyl)-10,14-dimethyl-19-oxa-6,7,9-triazahexacyclo[11.9.0.02,10.04,8.014,20.018,20]docosa-4(8),5-dien-17-one",NA,"CC12CCC(=O)C3C1(O3)CCC4C2CCC5(C4CC6=C(N5)N(N=C6)C7=CC=C(C=C7)F)C","XSSVTVCWOLXSMA-XWSKZDCISA-N",376247,NA,"PDBC03596","656930","Present",NA,NA
+"3597","(1R,10S,14R)-7-(4-Fluorophenyl)-10,14-dimethyl-5,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,18-trien-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,10S,14R)-7-(4-Fluorophenyl)-10,14-dimethyl-5,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,18-trien-17-one",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC5=C(N4)N(C=N5)C6=CC=C(C=C6)F)C","YXHIWUDDHCFYPI-VPPSLPLHSA-N",376240,NA,"PDBC03597","656923","Present",NA,NA
+"3598","(1R,10S,14R,17S)-7-(4-Fluorophenyl)-10,14-dimethyl-6,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,19-trien-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,10S,14R,17S)-7-(4-Fluorophenyl)-10,14-dimethyl-6,7,9-triazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-4(8),5,19-trien-17-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC5=C(N4)N(N=C5)C6=CC=C(C=C6)F)C)O","YCVJEIIUIBLCAU-ADDMTJTHSA-N",376246,NA,"PDBC03598","656929","Present",NA,NA
+"3599","(1R,12E)-11-Benzyl-3,4,6-trimethoxy-5,13-dimethyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,12E)-11-Benzyl-3,4,6-trimethoxy-5,13-dimethyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-one",NA,"CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3C)CC5=CC=CC=C5)C(=C1OC)OC)OC","HTVLHQYAKWFLCJ-VNJXKQBDSA-N",5387236,NA,"PDBC03599","622078","Present",NA,NA
+"3600","(1R,12E)-11-Benzyl-3,4,6-trimethoxy-5-methyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,12E)-11-Benzyl-3,4,6-trimethoxy-5-methyl-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-one",NA,"CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3)CC5=CC=CC=C5)C(=C1OC)OC)OC","KDOZTEIXPIZSSW-CERUOIKFSA-N",5387235,NA,"PDBC03600","622077","Present",NA,NA
+"3601","(1R,13R)-10,22-Dimethyl-8,10,20,22-tetrazahexacyclo[11.11.0.01,21.02,7.09,13.014,19]tetracosa-2,4,6,8,14,16,18,20-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8-8a),(8'-8'a)-tetradehydroisocalycanthine 3'a(R),3'a(R)",NA,"CN1CCC23C1=NC4=CC=CC=C4C25CCN(C5=NC6=CC=CC=C36)C","SNXAFBQZJGRMKH-VXKWHMMOSA-N",398040,NA,"PDBC03601","707150","Present",NA,NA
+"3602","(1R,2,3,4-Tetrahydro-1,3-dimethyl-6,8-dimethoxy-N-(benzyl)isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,3S)-1,2,3,4-Tetrahydro-1,3-dimethyl-6,8-dimethoxy- N...",NA,"CC1CC2=C(C(N1CC3=CC=CC=C3)C)C(=CC(=C2)OC)OC","RGYCJCNJSUCUCI-LOACHALJSA-N",378444,NA,"PDBC03602","660983","Present",NA,NA
+"3603","(1R,2E,5E,9E,13S)-13-(3-Hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2E,5E,9E,13S)-13-(3-Hydroxyprop-1-en-2-yl)-2,6,10-trimethylcyclotetradeca-2,5,9-trien-1-ol",NA,"CC1=CCCC(=CCC=C(C(CC(CC1)C(=C)CO)O)C)C","LVXDRCSHBHXOGT-ZVRPMZRQSA-N",5469908,NA,"PDBC03603","694079","Present",NA,NA
+"3604","(1R,2E,6R,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-(2-hydroxyethyl)-4H-cyclopenta[f]oxacyclotridecin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-hydroxy...",NA,"C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCO)O)O","BRRPMHYWWKCDRQ-HKNYPKJUSA-N",71763189,NA,"PDBC03604","757946","Present",NA,NA
+"3605","(1R,2E,6R,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-(trifluoromethyl)-4H-cyclopenta[f]oxacyclotridecin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(trifluoro...",NA,"C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)C(F)(F)F)O)O","XNYHWEVYDZHFQM-OMKKRTLHSA-N",71761860,NA,"PDBC03605","763494","Present",NA,NA
+"3606","(1R,2E,6R,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-[2-(1-naphthyl)ethyl]-4H-cyclopenta[f]oxacyclotridecin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-(naphth...",NA,"C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC=CC4=CC=CC=C43)O)O","MJJBGCXYQKBMCD-QFAKEOTJSA-N",71763649,NA,"PDBC03606","761150","Present",NA,NA
+"3607","(1R,2E,6R,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-[2-[4-(trifluoromethyl)phenyl]ethyl]-4H-cyclopenta[f]oxacyclotridecin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,6R,11aS,13S,14aR)-1,13-dihydroxy-6-{2-[4-(trifluorom...",NA,"C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC=C(C=C3)C(F)(F)F)O)O","BVKHRFLVYOCGMF-JDGPEGMASA-N",71763652,NA,"PDBC03607","762150","Present",NA,NA
+"3608","(1R,2E,6R,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-vinyl-4H-cyclopenta[f]oxacyclotridecin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,6R,11aS,13S,14aR)-1,13-dihydroxy-6-vinyl-1,6,7,8,9,1...",NA,"C=CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","WELPQYPQVLEGSI-MAPQJVESSA-N",71762091,NA,"PDBC03608","755269","Present",NA,NA
+"3609","(1R,2E,6S,10E,11As,13S,14aR)-1,6,7,8,9,11a,12,13,14,14a-Decahydro-1,13-dihydroxy-6-vinyl-4H-cyclopenta[f]oxacyclotridecin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,6S,11aS,13S,14aR)-1,13-dihydroxy-6-vinyl-1,6,7,8,9,1...",NA,"C=CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","WELPQYPQVLEGSI-IPMAJPOHSA-N",71762092,NA,"PDBC03609","758119","Present",NA,NA
+"3610","(1R,2R)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2R)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di...",NA,NA,NA,NA,NA,"PDBC03610","765877","Present",NA,NA
+"3611","(1R,2R,3E,7R,11E,13S,15S)-2,15-Dihydroxy-7-(2-methoxyethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-methoxy...",NA,"COCCC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","YRNWYOCZYBQCDE-QFUPPCKTSA-N",71763191,NA,"PDBC03611","757948","Present",NA,NA
+"3612","(1R,2R,3E,7R,11E,13S,15S)-2,15-Dihydroxy-7-(2-phenylethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-phenethyl-...",NA,"C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC=CC=C3)O)O","CSSYWQYQCALYND-SAADUKRKSA-N",71763648,NA,"PDBC03612","757947","Present",NA,NA
+"3613","(1R,2R,3E,7R,11E,13S,15S)-2,15-Dihydroxy-7-(2-phenylmethoxyethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2E,6R,10E,11aS,13S,14aR)-6-(2-(benzyloxy)ethyl)-1,13...",NA,"C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCOCC3=CC=CC=C3)O)O","NNPOPIWCZIERSZ-DJLXOVMMSA-N",71763192,NA,"PDBC03613","757949","Present",NA,NA
+"3614","(1R,2R,3E,7R,11E,13S,15S)-2,15-Dihydroxy-7-(2-quinolin-6-ylethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(2-(quinol...",NA,"C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC4=C(C=C3)N=CC=C4)O)O","LXENAZOCDGGYRJ-MYBIQHOXSA-N",71763650,NA,"PDBC03614","761151","Present",NA,NA
+"3615","(1R,2R,3E,7R,11E,13S,15S)-2,15-Dihydroxy-7-(hydroxymethyl)-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2E,6R,10E,11aS,13S,14aR)-1,13-dihydroxy-6-(hydroxyme...",NA,"C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CO)O)O","JJVIADUWPHPPMN-OLQAYZGXSA-N",71762976,NA,"PDBC03615","761154","Present",NA,NA
+"3616","(1R,2R,3E,7R,11E,13S,15S)-7-Acetyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2E,6R,10E,11aS,13S,14aR)-6-acetyl-1,13-dihydroxy-6,7...",NA,"CC(=O)C1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","BLCXAFCYAIGVSN-UZJNVPNJSA-N",71763423,NA,"PDBC03616","761152","Present",NA,NA
+"3617","(1R,2R,3E,7R,11E,13S,15S)-7-[2-(4-Aminophenyl)ethyl]-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,6R,11aS,13S,14aR)-6-[2-(4-aminophenyl)ethyl]-1,13-di...",NA,"C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC=C(C=C3)N)O)O","XYHXWNUKNRJNQN-JDGPEGMASA-N",71763651,NA,"PDBC03617","762147","Present",NA,NA
+"3618","(1R,2R,3E,7S,11E,13S,15S)-7-Ethyl-2,15-dihydroxy-6-oxabicyclo[11.3.0]hexadeca-3,11-dien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,6S,11aS,13S,14aR)-6-ethyl-1,13-dihydroxy-1,6,7,8,9,1...",NA,"CCC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)O","UAXNYZPENRXDKY-MAPQJVESSA-N",71761859,NA,"PDBC03618","755268","Present",NA,NA
+"3619","(1R,2R,3R,5S,6R,8R,12S)-1,5-Dimethyl-11-methylidene-8-propan-2-yl-15-oxatricyclo[10.2.1.02,6]pentadecane-3,5-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2R,3R,5S,6R,8R,12S)-1,5-Dimethyl-11-methylidene-8-propan-2-yl-15-oxatricyclo[10.2.1.02,6]pentadecane-3,5-diol",NA,"CC(C)C1CCC(=C)C2CCC(O2)(C3C(C1)C(CC3O)(C)O)C","NRKRZWASYYAQCV-ABHMGBDOSA-N",54612708,NA,"PDBC03619","737076","Present",NA,NA
+"3620","(1R,2R,4S)-1,3,3-Trimethyl-2-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,2r,4s)-1,3,3-Trimethyl-2-(pyridin-2-ylmethyl)bicyclo[2.2.1]heptane-2-thiol",NA,"CC1(C2CCC(C2)(C1(CC3=CC=CC=N3)S)C)C","PEEWHYAMPSQVEQ-MAZHCROVSA-N",400145,NA,"PDBC03620","711639","Present",NA,NA
+"3621","(1R,2R,5R,9R,10S,13R)-13-Hydroxy-5,9,13-trimethyl-3,14,15-trioxatetracyclo[8.5.0.01,6.02,12]pentadecan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2R,5R,9R,10S,13R)-13-Hydroxy-5,9,13-trimethyl-3,14,15-trioxatetracyclo[8.5.0.01,6.02,12]pentadecan-4-one",NA,"CC1CCC2C(C(=O)OC3C24C1CC3C(OO4)(C)O)C","DYABNPFXBUUVRL-WHTANUSXSA-N",6712631,NA,"PDBC03621","702214","Present",NA,NA
+"3622","(1R,2R,5S,6S,10S,13S,15R)-5-Acetyl-13-hydroxy-6,10-dimethylpentacyclo[13.2.2.0^{1,9}.0^{2,6}.0^{10,15}]nonadeca-8,18-diene-16,17-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2R,5S,6S,10S,13S,15R)-5-Acetyl-13-hydroxy-6,10-dimethylpentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-diene-16,17-dicarboxylic acid",NA,"CC(=O)C1CCC2C1(CC=C3C24C=CC5(C3(CCC(C5)O)C)C(C4C(=O)O)C(=O)O)C","NEZTUQCJKXTWFV-JIQJOFIQSA-N",222819,NA,"PDBC03622","9746","Present",NA,NA
+"3623","(1R,2R,5S,8R,9R,10R,13R,14R,20R)-1,2,14,19,19-Pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosane-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-deoxy-3-homo-3-aza-lup-20(29)-en-28-nitrile",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C)C#N","FJETVGCIJCEQBR-DRUCTHHFSA-N",155815818,NA,"PDBC03623","801858","Present",NA,NA
+"3624","(1R,2R,5S,8R,9R,10R,13R,14R,20R)-N-[(2S)-1-Hydroxy-3-phenylpropan-2-yl]-1,2,14,19,19-pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosane-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Deoxy-3-homo-3-aza-lup-20(29)-en-28-L-phenylalanin-[32...",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)NC(CC6=CC=CC=C6)CO","LPRBZXMJHZUBFT-SDPMNNRKSA-N",155811091,NA,"PDBC03624","799581","Present",NA,NA
+"3625","(1R,2R,6R,10S,11R,13S,14R,15R)-1-Hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13,14-bis(2-methylpropoxy)tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2R,6R,10S,11R,13S,14R,15R)-1-Hydroxy-8-(hydroxymethyl)-4,12,12,15-tetramethyl-13,14-bis(2-methylpropoxy)tetracyclo[8.5.0.02,6.011,13]pentadeca-3,8-dien-5-one",NA,"CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4CC(=C3)CO)C)O)OCC(C)C)OCC(C)C","PGGJQLHJKUPDIO-SKZOPBCKSA-N",390621,NA,"PDBC03625","688222","Present",NA,NA
+"3626","(1R,2R,7S)-3,6-Dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2R,7S)-3,6-Dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carbaldehyde",NA,"C1CCC2(CC1)OC3C4C5C(=O)C=CC(=O)C5(CC=C4OC3O2)C=O","WYQFWTFOBXWRLO-IUGQGLEPSA-N",356542,NA,"PDBC03626","612828","Present",NA,NA
+"3627","(1R,2R,9R,10R,11R,14R,15R,21R)-1,2,15,20,20-Pentamethyl-9-prop-1-en-2-yl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-5-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Deoxy-3-homo-3aza-abeolup-20(29),17(22)-dien",NA,"CC(=C)C1CCC=C2C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C","KADYMCRFQWRJBA-GMNYDWEMSA-N",155812025,NA,"PDBC03627","794971","Present",NA,NA
+"3628","(1R,2S)-1-(2-Chlorophenyl)-2-nitrobutan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S)-1-(2-Chlorophenyl)-2-nitrobutan-1-ol",NA,"CCC(C(C1=CC=CC=C1Cl)O)[N+](=O)[O-]","VZCHBEHJDCUQSD-VHSXEESVSA-N",402014,NA,"PDBC03628","715708","Present",NA,NA
+"3629","(1R,2S)-1-(4-Methoxyphenyl)-2-methyl-2,8-dihydro-1H-azeto[2,1-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S)-1-(4-Methoxyphenyl)-2-methyl-2,8-dihydro-1H-azeto[2,1-b]quinazoline",NA,"CC1C(N2C1=NC3=CC=CC=C3C2)C4=CC=C(C=C4)OC","BFXLMRQSCUXJMN-YVEFUNNKSA-N",400565,NA,"PDBC03629","712687","Present",NA,NA
+"3630","(1R,2S)-2-(Dicyclohexylcarbamoyl)cyclohexane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641483",NA,"C1CCC(CC1)N(C2CCCCC2)C(=O)C3CCCCC3C(=O)O","ORHVEVGCWUVFNC-ZWKOTPCHSA-N",369602,NA,"PDBC03630","641483","Present",NA,NA
+"3631","(1R,2S,10S,13S,14R,17S)-7-Chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,10S,13S,14R,17S)-7-Chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC5=C4N=C(C=C5)Cl)C)O","GBPPARBNOIMUAG-ASOAYHERSA-N",399262,NA,"PDBC03631","709954","Present",NA,NA
+"3632","(1R,2S,3R,5S)-3-(6-Aminopurin-9-yl)-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,3R,5S)-3-(6-Aminopurin-9-yl)-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride",NA,"C1C(C(C(C1N2C=NC3=C(N=CN=C32)N)O)O)NO.Cl","OWEFVASYSWZFDS-RDSGXXSDSA-N",395996,NA,"PDBC03632","701169","Present",NA,NA
+"3633","(1R,2S,3R,5S)-3-[6-(Cyclopropylamino)purin-9-yl]-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,3R,5S)-3-[6-(Cyclopropylamino)purin-9-yl]-5-(hydroxyamino)cyclopentane-1,2-diol;hydrochloride",NA,"C1CC1NC2=C3C(=NC=N2)N(C=N3)C4CC(C(C4O)O)NO.Cl","CKAFCNVBTVMTDJ-MBODOHECSA-N",396004,NA,"PDBC03633","701174","Present",NA,NA
+"3634","(1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-Dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-11-ene-17-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,3R,6R,8S,9S,13S,14R,15R,16S,17S)-15,16-Dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,10-dioxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.0",NA,"CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O","CXVWQUMYRFPSCJ-LWPHVLBVSA-N",6712353,NA,"PDBC03634","673352","Present",NA,NA
+"3635","(1R,2S,3S)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenylpropane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,2s,3s)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenyl-propane-1,2-diol",NA,"COC(C1=CC=CC=C1)C(C(C2=CC=CC=C2)(O)P(=O)(OC)OC)O","UDUCETYLSJAFTA-OKZBNKHCSA-N",398053,NA,"PDBC03635","707217","Present",NA,NA
+"3636","(1R,2S,3S,4S,5R)-3-(9H-Fluoren-9-yloxy)-4-phenylmethoxy-6,8-dioxabicyclo[3.2.1]octan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,2s,3s,4s,5r)-4-Benzyloxy-3-(9h-fluoren-9-yloxy)-6,8-dioxabicyclo[3.2.1]octan-2-ol",NA,"C1C2C(C(C(C(O1)O2)OCC3=CC=CC=C3)OC4C5=CC=CC=C5C6=CC=CC=C46)O","KUEWVVVFLSJBIJ-XMQSEMGDSA-N",398030,NA,"PDBC03636","707103","Present",NA,NA
+"3637","(1R,2S,4R,5R,6S,7Z,10Z,13R,14R)-5,6-Dihydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadeca-7,10-diene-9,16-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,4R,5R,6S,7Z,10Z,13R,14R)-5,6-Dihydroxy-7,11-dimethyl-4-prop-1-en-2-yl-15,17,18-trioxatetracyclo[11.2.2.12,6.01,14]octadeca-7,10-diene-9,16-dione",NA,"CC1=CC(=O)C=C(C2(C(C(CC(O2)C34C(O3)C(C1)OC4=O)C(=C)C)O)O)C","NYQXKINSRDCSCG-CKUJFVHVSA-N",54608962,NA,"PDBC03637","697735","Present",NA,NA
+"3638","(1R,2S,4S,8R,9S,10R,14R,15S)-9-Hydroxy-2,14-diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[13.2.1.04,8]octadecan-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,4S,8R,9S,10R,14R,15S)-9-Hydroxy-2,14-diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[13.2.1.04,8]octadecan-6-one",NA,"CC1CCCC(C2CCC(O2)(C(CC3C(C1O)OC(=O)C3=C)I)C)(C)I","HAHQOIVSSFBLHO-ZZCSQFIKSA-N",6712557,NA,"PDBC03638","697264","Present",NA,NA
+"3639","(1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-Hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,4S,8R,9S,12S,13S,16S,18S)-16-Hydroxy-6-(4-hydroxy-3-methylbutyl)-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-10-one",NA,"CC1=C(OC2C1C3(C(C2)C4CCC5CC(CCC5(C4CC3=O)C)O)C)CCC(C)CO","YHGXHXTZNBXLKF-ZEIMHBHRSA-N",261265,NA,"PDBC03639","93241","Present",NA,NA
+"3640","(1R,2S,5S,8R,9S,10S,14R,15R,21R)-1,2,8,9,15,20,20-Heptamethyl-N-quinolin-6-yl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-11-ene-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Deoxy-3-homo-3-aza-urs-12(13)-en-28-N-[N-(quinolin-6-y...",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCCNC5(C)C)C)C)C2C1C)C)C(=O)NC6=CC7=C(C=C6)N=CC=C7","CSNKSZUAQGHLCL-QDOKYNMVSA-N",155817284,NA,"PDBC03640","799580","Present",NA,NA
+"3641","(1R,2S,6E,10S,11R,13S,17R)-11-Hydroxy-2,6,10-trimethyl-14-methylidene-16,18-dioxatricyclo[8.6.2.013,17]octadec-6-en-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,6E,10S,11R,13S,17R)-11-Hydroxy-2,6,10-trimethyl-14-methylidene-16,18-dioxatricyclo[8.6.2.013,17]octadec-6-en-15-one",NA,"CC1CCCC(=CCCC2(C(CC3C(C1OC(=O)C3=C)O2)O)C)C","HTFJCLBNRQBUKL-MPWUPMOYSA-N",5469628,NA,"PDBC03641","690970","Present",NA,NA
+"3642","(1R,2S,6R,7S)-4-(2,5-Ditert-butylphenyl)-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,6R,7S)-4-(2,5-Ditert-butylphenyl)-2-methyl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",NA,"CC12C3CC(C1C(=O)N(C2=O)C4=C(C=CC(=C4)C(C)(C)C)C(C)(C)C)C=C3","RSTSNKZFTDWTIK-HDCSMFLBSA-N",401154,NA,"PDBC03642","714122","Present",NA,NA
+"3643","(1R,2S,6R,7S)-5-Ethoxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,6R,7S)-5-Ethoxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one",NA,"CCOC1C2C3CCC(C2C(=O)O1)O3","PWPOIJNVVZDGIH-VITGYUQNSA-N",24204612,NA,"PDBC03643","732299","Present",NA,NA
+"3644","(1R,2S,6R,7S)-5-Hydroxy-4,10-dioxatricyclo[5.2.1.02,6]decan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Epoxyisobenzofuran-1(3H)-one, hexahydro-3-hydroxy-, ...",NA,"C1CC2C3C(C1O2)C(OC3=O)O","RVXZUWLWZREXRM-GKYMIPFJSA-N",24204611,NA,"PDBC03644","732298","Present",NA,NA
+"3645","(1R,2S,6R,7S,8R,10S,11S)-7-Bromo-10,11-diphenyl-4-(trichloromethyl)-3,9,12-trioxa-5-azatricyclo[6.4.0.02,6]dodec-4-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,6R,7S,8R,10S,11S)-7-Bromo-10,11-diphenyl-4-(trichloromethyl)-3,9,12-trioxa-5-azatricyclo[6.4.0.02,6]dodec-4-ene",NA,"C1=CC=C(C=C1)C2C(OC3C(O2)C4C(C3Br)N=C(O4)C(Cl)(Cl)Cl)C5=CC=CC=C5","FTGLKINRGXMPTO-LOVVWNRFSA-N",399739,NA,"PDBC03645","710834","Present",NA,NA
+"3646","(1R,2S,6R,7S,9S,10E,12S,13S)-10-(Dimethylhydrazinylidene)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,6R,7S,9S,10E,12S,13S)-10-(Dimethylhydrazinylidene)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-ol",NA,"CC1CCC2(C(C3C(O2)CC4C3(C(=NN(C)C)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1","WPCHTIUQWSHWAJ-AQWUDAHTSA-N",9572301,NA,"PDBC03646","710482","Present",NA,NA
+"3647","(1R,2S,6S,10S,13S)-6-(Hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,6S,10S,13S)-6-(Hydroxymethyl)-2,6,13-trimethyltetracyclo[10.3.1.01,10.02,7]hexadecan-13-ol",NA,"CC1(CCCC2(C1CCC3C24CCC(C(C3)C4)(C)O)C)CO","YFPSFADPQXOJFU-BWRCBALTSA-N",5459204,NA,"PDBC03647","646012","Present",NA,NA
+"3648","(1R,3Ar,5aR,5bR,11aR)-9-(benzenesulfonyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,3Ar,5aR,5bR,11aR)-9-(benzenesulfonyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OS(=O)(=O)C6=CC=CC=C6)C)C(=O)O","RFKFYMPEMRXDIU-VDMSOURNSA-N",54613145,NA,"PDBC03648","750417","Present",NA,NA
+"3649","(1R,3As,5aR,5bR,7aR,10S,11aR,11bR,13aR,13bR)-10-[3-(4-bromophenyl)prop-2-ynyl]-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2.alpha.)-2-[3-(4-bromophenyl)prop-2-yn-1-yl]-3-oxolup-...",NA,"CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(=O)C5(C)C)CC#CC6=CC=C(C=C6)Br)C)C)C(=O)O","LAMQXOGGOMWUQY-DEYUOFMXSA-N",155812179,NA,"PDBC03649","795846","Present",NA,NA
+"3650","(1R,3As,5aR,5bR,7aR,9S,10S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-10-[3-[4-(trifluoromethyl)phenyl]prop-2-ynyl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-trifluoromethyl benzenepropynyl-3'- hydroxylup-20(29)...",NA,"CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)CC#CC6=CC=C(C=C6)C(F)(F)F)C)C)C(=O)O","UNRIMKBYKUWMMY-NAULHLSUSA-N",155812374,NA,"PDBC03650","800552","Present",NA,NA
+"3651","(1R,3As,5aR,5bR,7aS,9S,11aS,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,3As,5aR,5bR,7aS,9S,11aS,13aR,13bR)-9-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrys",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)C(=O)C=CC6=CC(=C(C=C6)O)O)C)C(=O)O","OPUNHZNTUGYRKF-XXRXEVJLSA-N",5459276,NA,"PDBC03651","681466","Present",NA,NA
+"3652","(1R,3R)-1-(2,6-Dichlorophenyl)-3-methyl-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,3r)-1-(2,6-Dichlorophenyl)-3-methyl-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline",NA,"CC1C2=NC3=CC=CC=C3CN2C(S1)C4=C(C=CC=C4Cl)Cl","BUXQRRBNRBZXDV-BMLIUANNSA-N",395892,NA,"PDBC03652","700987","Present",NA,NA
+"3653","(1R,3R,4R,5S,6R,7R)-3-(Hydroxymethyl)-4,6-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,3R,4R,5S,6R,7R)-3-(Hydroxymethyl)-4,6-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-7-ol",NA,"C1=CC=C(C=C1)COCC23C(C(OC(O2)C(C3OCC4=CC=CC=C4)O)CO)OCC5=CC=CC=C5","KAKAWEBVHGYMEE-PADYGVHUSA-N",403307,NA,"PDBC03653","718013","Present",NA,NA
+"3654","(1R,3R,5R,8E,12E,15S,18R)-5,9,13-Trimethylspiro[4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18,2'-oxirane]-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,3R,5R,8E,12E,15S,18R)-5,9,13-Trimethylspiro[4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18,2'-oxirane]-17-one",NA,"CC1=CCCC2(C(O2)CC3C(CC(=CCC1)C)OC(=O)C34CO4)C","SWHGBMUHMUIWRO-CDLJRPPESA-N",5469631,NA,"PDBC03654","690973","Present",NA,NA
+"3655","(1R,3R,6Z,10E,14R)-6,10,14-Trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,3R,6Z,10E,14R)-6,10,14-Trimethyl-3-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-5-one",NA,"CC1=CCCC2(C(O2)CC(CC(=O)C(=CCC1)C)C(=C)C)C","OEPTXZKKXAKLNP-CAPRJZRZSA-N",5472849,NA,"PDBC03655","722071","Present",NA,NA
+"3656","(1R,3S)-1-(2,6-Dichlorophenyl)-3-methyl-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,3s)-1-(2,6-Dichlorophenyl)-3-methyl-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline",NA,"CC1C2=NC3=CC=CC=C3CN2C(S1)C4=C(C=CC=C4Cl)Cl","BUXQRRBNRBZXDV-DYZYQPBXSA-N",395891,NA,"PDBC03656","700986","Present",NA,NA
+"3657","(1R,3S)-1-(2-Fluorophenyl)-3-methyl-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,3s)-1-(2-Fluorophenyl)-3-methyl-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline",NA,"CC1C2=NC3=CC=CC=C3CN2C(S1)C4=CC=CC=C4F","RISATPIJHQZPEZ-APPDUMDISA-N",402099,NA,"PDBC03657","715820","Present",NA,NA
+"3658","(1R,3S)-3-Aminocyclohexane-1,2-diol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Cyclohexanediol, 3-amino-, hydrochloride, (1.alpha.,...",NA,"C1CC(C(C(C1)O)O)N.Cl","MIDIYKXNTKNGBP-LIQNOFJUSA-N",355715,NA,"PDBC03658","609820","Present",NA,NA
+"3659","(1R,3S,5R,6R,9R,11S)-8-Methyl-9-[(E)-non-1-enyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-10,13-dioxatetracyclo[9.2.2.01,5.06,11]pentadec-7-ene-12,15-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4aS,8S,9aR,9bR)-4a-hydroxy-2-methyl-3-((E)-non-1-en-...",NA,"CCCCCCCC=CC1C(=CC2C3CC(CC34CC(=O)C2(O1)C(=O)O4)OC5C(C(C(C(O5)CO)O)O)O)C","PRPKELYCXMQFKN-QVRHYJHMSA-N",155806964,NA,"PDBC03659","794949","Present",NA,NA
+"3660","(1R,3S,5R,8S)-1,3,5,6,7,8-Hexamethyl-2,4,9-trioxatricyclo[6.1.0.03,5]non-6-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,3S,5R,8S)-1,3,5,6,7,8-Hexamethyl-2,4,9-trioxatricyclo[6.1.0.03,5]non-6-ene",NA,"CC1=C(C2(C(O2)(OC3(C1(O3)C)C)C)C)C","MAWVINHPBOZONV-IWDIQUIJSA-N",397373,NA,"PDBC03660","705026","Present",NA,NA
+"3661","(1R,4As,6aR,6aR,6bR,8aR,11Z,12aR,14aS,14bR)-6a,6b,9,9,12a-pentamethyl-10-oxo-1-prop-1-en-2-yl-11-(pyridin-4-ylmethylidene)-2,3,4,5,6,6a,7,8,8a,12,13,14,14a,14b-tetradecahydro-1H-picene-4a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-vinylpyridine]-3-oxo-lup-20(29)-en-28-oic acid",NA,"CC(=C)C1CCCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(=CC6=CC=NC=C6)C(=O)C5(C)C)C)C)C(=O)O","HEPXJORWKMOEQV-UHLRFYTASA-N",155814302,NA,"PDBC03661","801872","Present",NA,NA
+"3662","(1R,4E,8E,12S,14R)-1,5,9-Trimethyl-12-(2-methyloxiran-2-yl)-15-oxabicyclo[12.1.0]pentadeca-4,8-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4E,8E,12S,14R)-1,5,9-Trimethyl-12-(2-methyloxiran-2-yl)-15-oxabicyclo[12.1.0]pentadeca-4,8-diene",NA,"CC1=CCCC2(C(O2)CC(CCC(=CCC1)C)C3(CO3)C)C","MIEWOGXTDVXGTN-TVFDWPSESA-N",5472850,NA,"PDBC03662","722072","Present",NA,NA
+"3663","(1R,4R)-1,4-Bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4R)-1,4-Bis(1,3-benzodioxol-5-yl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione",NA,"C1OC2=C(O1)C=C(C=C2)C3C4C(C(OC4=O)C5=CC6=C(C=C5)OCO6)C(=O)O3","APOQDYUENSVQGT-FOIPXRHGSA-N",358206,NA,"PDBC03663","618097","Present",NA,NA
+"3664","(1R,4R)-1,4-Bis(2,4,5-trimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4R)-1,4-Bis(2,4,5-trimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione",NA,"COC1=CC(=C(C=C1C2C3C(C(OC3=O)C4=CC(=C(C=C4OC)OC)OC)C(=O)O2)OC)OC","GOFDMRDWBWJFJM-UJKMTWAASA-N",358208,NA,"PDBC03664","618099","Present",NA,NA
+"3665","(1R,4R)-1,4-Bis(3,4,5-trimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4R)-1,4-Bis(3,4,5-trimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(C(OC3=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)O2","CXVHFGPMGPBZMK-GUMHCPJTSA-N",358207,NA,"PDBC03665","618098","Present",NA,NA
+"3666","(1R,4R)-1,4-Bis(3,4-dimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4R)-1,4-Bis(3,4-dimethoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione",NA,"COC1=C(C=C(C=C1)C2C3C(C(OC3=O)C4=CC(=C(C=C4)OC)OC)C(=O)O2)OC","GHWJLZYISZQGAJ-GUMHCPJTSA-N",358205,NA,"PDBC03666","618096","Present",NA,NA
+"3667","(1R,4R)-1,4-Bis(4-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4R)-1,4-Bis(4-methoxyphenyl)-1,3a,4,6a-tetrahydrofuro[3,4-c]furan-3,6-dione",NA,"COC1=CC=C(C=C1)C2C3C(C(OC3=O)C4=CC=C(C=C4)OC)C(=O)O2","PZMJZHHHLJVULL-FOIPXRHGSA-N",358209,NA,"PDBC03667","618100","Present",NA,NA
+"3668","(1R,4R,5R,6R)-5,6-Bis(phenylsulfonyl)-7-oxabicyclo[2.2.1]hepta-2-ene-1-(methanethiol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,4R,5R,6R)-5,6-Bis(benzenesulfonyl)-7-oxabicyclo[2.2.1]hept-2-en-1-yl]methanethiol",NA,"C1=CC=C(C=C1)S(=O)(=O)C2C3C=CC(C2S(=O)(=O)C4=CC=CC=C4)(O3)CS","BEGMYFNWGNIGOA-AKHDSKFASA-N",399574,NA,"PDBC03668","710448","Present",NA,NA
+"3669","(1R,4R,5S,6R,7R,8R)-5,7-Bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,9-dioxabicyclo[4.2.1]nonane-4,8-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4R,5S,6R,7R,8R)-5,7-Bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2,9-dioxabicyclo[4.2.1]nonane-4,8-diol",NA,"C1C(C(C2(C(C(C(O1)O2)O)OCC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)O","SRGKOUYLOKUKEC-ULFZGVROSA-N",403306,NA,"PDBC03669","718012","Present",NA,NA
+"3670","(1R,4S)-1,7,7-Trimethyl-3alpha-(benzylthio)bicyclo[2.2.1]heptan-2alpha-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,2s,3r,4s)-3-(Benzylsulfanyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",NA,"CC1(C2CCC1(C(C2SCC3=CC=CC=C3)O)C)C","SGGXLJWXVZGWJG-ANQUJSFKSA-N",401628,NA,"PDBC03670","715325","Present",NA,NA
+"3671","(1R,4S)-4-[(E)-1-Hydroxy-4-[(2-methylpropan-2-yl)oxy]but-2-en-2-yl]cyclopent-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4S)-4-[(E)-1-Hydroxy-4-[(2-methylpropan-2-yl)oxy]but-2-en-2-yl]cyclopent-2-en-1-ol",NA,"CC(C)(C)OCC=C(CO)C1CC(C=C1)O","ZYBGEEADCYHNBJ-KGYXVEPJSA-N",5470159,NA,"PDBC03671","698205","Present",NA,NA
+"3672","(1R,4S,7S,11S,14S)-7,14-Dimethyl-4,11-di(propan-2-yl)-6,13-dioxa-3,10,15,16-tetrazatricyclo[10.2.1.15,8]hexadeca-5(16),12(15)-diene-2,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4S,7S,11S,14S)-7,14-Dimethyl-4,11-di(propan-2-yl)-6,13-dioxa-3,10,15,16-tetrazatricyclo[10.2.1.15,8]hexadeca-5(16),12(15)-diene-2,9-dione",NA,"CC1C2C(=O)NC(C3=NC(C(O3)C)C(=O)NC(C(=N2)O1)C(C)C)C(C)C","YXZXGHVFCPWKDA-RTHOXKBDSA-N",379705,NA,"PDBC03672","664578","Present",NA,NA
+"3673","(1R,4S,8E,12S)-4,12-Dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4S,8E,12S)-4,12-Dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one",NA,"CC1CCC2C(O2)(CCC(=CC(C(=O)C1)C(=C)C)C(C)C)C","XCLKNXURBGEDOT-LLVXKQPZSA-N",23424871,NA,"PDBC03673","727914","Present",NA,NA
+"3674","(1R,4S,9R,10R,13S)-5,5-Bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4S,9R,10R,13S)-5,5-Bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one",NA,"CC12CC(=O)CC(C1CCC34C2CCC(C3)C(=C)C4)(CO)CO","IGOMNRZBTQVLBU-HZZCBIDNSA-N",391203,NA,"PDBC03674","690036","Present",NA,NA
+"3675","(1R,4S,9S,10R,13R)-11-Hydroxy-5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4S,9S,10R,13R)-11-Hydroxy-5,5-bis(hydroxymethyl)-9-methyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-7-one",NA,"CC12CC(=O)CC(C1CCC34C2C(CC(C3)C(=C)C4)O)(CO)CO","SRLVFQVUOGIQFP-GRAZYNORSA-N",391204,NA,"PDBC03675","690037","Present",NA,NA
+"3676","(1R,5S)-1,7-Diphenyl-5-benzoyl-2-oxabicyclo[3.2.0]hepta-6-ene-3,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,5s)-1,7-Diphenyl-5-(phenylcarbonyl)-2-oxabicyclo[3.2.0]hept-6-ene-3,4-dione",NA,"C1=CC=C(C=C1)C2=CC3(C2(OC(=O)C3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","DVWBTIMAWWEUQB-LOSJGSFVSA-N",402837,NA,"PDBC03676","717090","Present",NA,NA
+"3677","(1R,5S,6R)-5-Hydroxy-6-(hydroxymethyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Oxabicyclo[4.1.0]hept-3-en-2-one, 5-hydroxy-6-(hydroxy...",NA,"C1=CC(=O)C2C(C1O)(O2)CO","GAGWCYWDAZARDD-LYFYHCNISA-N",319924,NA,"PDBC03677","266032","Present",NA,NA
+"3678","(1R,5S,7R)-5-Methoxy-2,2-dimethyl-4-phenyl-6-thia-4-azatricyclo[5.4.0.01,5]undecan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,5S,7R)-5-Methoxy-2,2-dimethyl-4-phenyl-6-thia-4-azatricyclo[5.4.0.01,5]undecan-3-one",NA,"CC1(C(=O)N(C2(C13CCCCC3S2)OC)C4=CC=CC=C4)C","CIYDTNOVSIKQLU-JLSDUUJJSA-N",5471482,NA,"PDBC03678","711628","Present",NA,NA
+"3679","(1R,6R,13S,15S,19R)-7,19-Dichloro-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,6R,13S,15S,19R)-7,19-Dichloro-18,18-dimethyl-7-(phenylmethoxymethyl)-5,9,12-trioxa-3-azatetracyclo[13.2.1.13,6.01,13]nonadecane-2,4,8-trione",NA,"CC1(C2CCC13C(C2)OCCOC(=O)C(C4C(N(C3=O)C(=O)O4)Cl)(COCC5=CC=CC=C5)Cl)C","KTSSTDDKRACMDH-NUSOTDOXSA-N",6712782,NA,"PDBC03679","711474","Present",NA,NA
+"3680","(1R,6S,10As)-methyl 1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrodiacetyl-7-(dihydroxy methyl)-1,4a,6-trimethylphenanthrene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4aR,6S,10aS)-methyl 1,2,3,4,4a,5,6,7,8,9,10,10a-dode...",NA,"CC1CC2=C(CCC3C2(CCCC3(C)C(=O)OC)C)CC1CC(OC(=O)C)OC(=O)C","VENDEIHMGSYWRL-JQNVQRCWSA-N",24204230,NA,"PDBC03680","731016","Present",NA,NA
+"3681","(1R,8R,9R)-5-[(1R,9R)-10,10-Dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-8-[(1R,8R,9R)-5-[(1R,9R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,8R,9R)-5-[(1R,9R)-10,10-Dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-8-[(1R,8R,9R)-5-[(1R,9R)-10,10-dimethyl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-5-yl]-10,10-dimethyl-4-azatri",NA,"CC1(C2CC1C3=CN=C(C=C3C2)C4=NC=C5C6CC(C6(C)C)C(C5=C4)C7C8CC(C8(C)C)C9=CN=C(C=C79)C1=NC=C2C3CC(C3(C)C)CC2=C1)C","KVKNHPSCVUTSIG-CXRMBAMZSA-N",6712472,NA,"PDBC03681","690443","Present",NA,NA
+"3682","(1R,8R,9R)-8-[(1R,8R,9R)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,8R,9R)-8-[(1R,8R,9R)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene",NA,"CC1(C2CC1C3=CN=C(C=C3C2C4C5CC(C5(C)C)C6=CN=C(C=C46)C7=CC=CC=N7)C8=CC=CC=N8)C","VOXCICWDOQIAJB-POGJZYIOSA-N",6712470,NA,"PDBC03682","690440","Present",NA,NA
+"3683","(1R,8S)-8-Hydroxy-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4,11-triene-3,6,14-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,8S)-8-Hydroxy-15-oxatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),4,11-triene-3,6,14-trione",NA,"C1C=CC2C3C1C(C4=C(C3OC2=O)C(=O)C=CC4=O)O","FWJHNMSQMBRCJF-GCVQNUKYSA-N",369716,NA,"PDBC03683","641810","Present",NA,NA
+"3684","(1R,9Ar)-Octahydro-4H-quinolizine-1beta,2alpha,3alpha,9beta-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,2r,3r,9r,9Ar)-octahydro-2h-quinolizine-1,2,3,9-tetrol",NA,"C1CC(C2C(C(C(CN2C1)O)O)O)O","QTBDZCJQYXPZJL-JGKVKWKGSA-N",389972,NA,"PDBC03684","686749","Present",NA,NA
+"3685","(1R,9R)-3,5,11,13-Tetraoxa-8-thiatricyclo[7.4.0.02,7]tridecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,9R)-3,5,11,13-Tetraoxa-8-thiatricyclo[7.4.0.02,7]tridecane",NA,"C1C2C(C3C(S2)COCO3)OCO1","ZOASYXZHAJMTHL-RRABCLCVSA-N",371589,NA,"PDBC03685","645981","Present",NA,NA
+"3686","(1R,9R)-4-Methoxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,9R)-4-Methoxy-17,17-dimethyl-17-azoniatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol;iodide",NA,"C[N+]1(CCC23CCCC=C2C1CC4=C3C(=C(C=C4)OC)O)C.[I-]","HIHYUHBGFQCTAO-AEFICSSHSA-N",11969677,NA,"PDBC03686","611211","Present",NA,NA
+"3687","(1R,9R)-4-Methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,9R)-4-Methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10-tetraen-3-ol",NA,"CN1CCC23CCCC=C2C1CC4=C3C(=C(C=C4)OC)O","REASKFPIAQOWDC-RDTXWAMCSA-N",6711279,NA,"PDBC03687","611266","Present",NA,NA
+"3688","(1R,9R,10R)-4-Methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,9R,10R)-4-Methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-15-one",NA,"CN1CC(=O)C23CCCCC2C1CC4=C3C=C(C=C4)OC","CKRFWODWKVGWNR-YXJHDRRASA-N",6711278,NA,"PDBC03688","611248","Present",NA,NA
+"3689","(1R,9R,10S,11R,12R,19R)-4-Bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,9R,10S,11R,12R,19R)-4-Bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbohydrazide",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)NN)O)N(C5=CC(=C(C=C45)Br)OC)C","XQIHYWOQWOOSQL-RLFCDOPRSA-N",399521,NA,"PDBC03689","710384","Present",NA,NA
+"3690","(1R,9S,13R)-6-(4-Fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,17-trien-16-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,9S,13R)-6-(4-Fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,17-trien-16-one",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC5=NN(N=C54)C6=CC=C(C=C6)F)C","LPNSXSQCWPKBSB-AIYTVDAHSA-N",376238,NA,"PDBC03690","656921","Present",NA,NA
+"3691","(1R,9S,13R,16S)-6-(4-Fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,9S,13R,16S)-6-(4-Fluorophenyl)-9,13-dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC5=NN(N=C54)C6=CC=C(C=C6)F)C)O","JAUDVHBWCFGZJO-CXFAMWIQSA-N",376245,NA,"PDBC03691","656928","Present",NA,NA
+"3692","(1R,9S,13R,16S)-9,13-Dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,9S,13R,16S)-9,13-Dimethyl-5,6,7-triazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC5=NNN=C54)C)O","BZPYOPXMDGFZDN-SATMMKAJSA-N",376239,NA,"PDBC03692","656922","Present",NA,NA
+"3693","(1S)-1-Methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,10,18-tricarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-1-Methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-4,10,18-tricarbaldehyde",NA,"CC12C3=C4C=CC(=C3OC5=C1C(=C(C=C5)C=O)OC6=C(C=CC(=C26)O4)C=O)C=O","IJRTVSDUASYXCQ-QHCPKHFHSA-N",393365,NA,"PDBC03693","695172","Present",NA,NA
+"3694","(1S)-1-Phenyl-2-phenylmethoxyethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-1-Phenyl-2-phenylmethoxyethanamine",NA,"C1=CC=C(C=C1)COCC(C2=CC=CC=C2)N","ZMNPFYANVKDFQC-OAHLLOKOSA-N",357746,NA,"PDBC03694","617267","Present",NA,NA
+"3695","(1S)-1-Prop-1-ynylcyclohexane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-1-Prop-1-ynylcyclohexane-1,2-diol",NA,"CC#CC1(CCCCC1O)O","GGYHEENUGUTBLK-YGPZHTELSA-N",6711305,NA,"PDBC03695","617176","Present",NA,NA
+"3696","(1S)-1-[(2-Benzyl-5-nitrobenzimidazol-1-yl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-1-[(2-Benzyl-5-nitrobenzimidazol-1-yl)methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride",NA,"C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)[N+](=O)[O-])N=C3CC5=CC=CC=C5.Cl","TYRRRZPZWLVLRT-OFRUWTFKSA-N",397751,NA,"PDBC03696","706174","Present",NA,NA
+"3697","(1S)-1-[(2R,3Ar,5S,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-1-[(2R,3Ar,5S,6aR)-2-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-5-yl]-3-trimethylsilylprop-2-yn-1-ol",NA,"CCC=CCC(C1CC2C(O1)CC(O2)C(C#C[Si](C)(C)C)O)O[Si](C)(C)C(C)(C)C","DEWRPLOYTYQCKN-UPBXVLEXSA-N",5469986,NA,"PDBC03697","695222","Present",NA,NA
+"3698","(1S)-1-[3-[(7-Aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-2,2-dimethylcyclobutyl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1s)-1-[3-[(7-Aminotriazolo[5,4-d]pyrimidin-3-yl)methyl]-2,2-dimethyl-cyclobutyl]ethanol",NA,"CC(C1CC(C1(C)C)CN2C3=NC=NC(=C3N=N2)N)O","YLJIKVLLFPVDGH-UEJVZZJDSA-N",395601,NA,"PDBC03698","700346","Present",NA,NA
+"3699","(1S)-1-[6-[2,3,4-Trimethoxy-6-[(5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1,3-benzodioxol-5-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-1-[6-[2,3,4-Trimethoxy-6-[(5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-1,3-benzodioxol-5-yl]ethanol",NA,"CC(C1=CC2=C(C=C1C3=C(C(=C(C=C3C4=NC(C(O4)C5=CC=CC=C5)COC)OC)OC)OC)OCO2)O","YVGDTYBGILBISN-LBOPGCNLSA-N",6711362,NA,"PDBC03699","623155","Present",NA,NA
+"3700","(1S)-1-[[2-Benzyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-1-[[2-Benzyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,"C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3CC5=CC=CC=C5","VYBKTUUDMDGXLT-YDNXMHBPSA-N",397749,NA,"PDBC03700","706172","Present",NA,NA
+"3701","(1S)-1-[[2-[(4-Chlorophenyl)methyl]-5-nitrobenzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-1-[[2-[(4-Chlorophenyl)methyl]-5-nitrobenzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,"C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)[N+](=O)[O-])N=C3CC5=CC=C(C=C5)Cl","JEPXPZWLLINUPA-HXBUSHRASA-N",397754,NA,"PDBC03701","706176","Present",NA,NA
+"3702","(1S)-1-[[2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-1-[[2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,"COC1=CC=C(C=C1)CC2=NC3=C(N2CC4CCCN5C4CCCC5)C=CC(=C3)C(F)(F)F","TZCMOUOFLGIXFI-HSTJUUNISA-N",397750,NA,"PDBC03702","706173","Present",NA,NA
+"3703","(1S)-1-[[2-[(4-Methoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-1-[[2-[(4-Methoxyphenyl)methyl]-5-nitrobenzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,"COC1=CC=C(C=C1)CC2=NC3=C(N2CC4CCCN5C4CCCC5)C=CC(=C3)[N+](=O)[O-]","ZNPZRHFEKKYHGT-HSTJUUNISA-N",397753,NA,"PDBC03703","706175","Present",NA,NA
+"3704","(1S)-2-(1-Phenylethylamino)cyclohexan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-2-(1-Phenylethylamino)cyclohexan-1-ol",NA,"CC(C1=CC=CC=C1)NC2CCCCC2O","NYCFBNYPXMBDES-UBHUBRDASA-N",357636,NA,"PDBC03704","617161","Present",NA,NA
+"3705","(1S)-2-Benzyl-6,8-dimethoxy-1,3-dimethyl-5-(4-methylphenyl)-3,4-dihydro-1H-isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,3S)-5-(4-Tolyl)-1,2,3,4-tetrahydro-1,3-dimethyl-6,8-...",NA,"CC1CC2=C(C(=CC(=C2C(N1CC3=CC=CC=C3)C)OC)OC)C4=CC=C(C=C4)C","BTXUAKYLSLIJMI-ANYOKISRSA-N",378445,NA,"PDBC03705","660984","Present",NA,NA
+"3706","(1S)-2-[[(1R)-1-Phenylethyl]amino]cyclohexan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-2-[[(1R)-1-Phenylethyl]amino]cyclohexan-1-ol;hydrochloride",NA,"CC(C1=CC=CC=C1)NC2CCCCC2O.Cl","BCCOQJSGYYMLLQ-WEVUIEQMSA-N",357645,NA,"PDBC03706","617167","Present",NA,NA
+"3707","(1S)-2-[[(1R)-1-Phenylethyl]amino]cyclopentan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-2-[[(1R)-1-Phenylethyl]amino]cyclopentan-1-ol;hydrochloride",NA,"CC(C1=CC=CC=C1)NC2CCCC2O.Cl","WPTDBFWVQTVLGH-BHHIXOSCSA-N",357641,NA,"PDBC03707","617165","Present",NA,NA
+"3708","(1S)-5,7,18-Trioxa-12-azahexacyclo[10.7.1.02,10.04,8.015,20.017,19]icosa-2,4(8),9-triene-11,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-5,7,18-Trioxa-12-azahexacyclo[10.7.1.02,10.04,8.015,20.017,19]icosa-2,4(8),9-triene-11,13-dione",NA,"C1C2CC(=O)N3C2C(C4C1O4)C5=CC6=C(C=C5C3=O)OCO6","KDZJEULNTPVKAH-HLPSKGQXSA-N",375348,NA,"PDBC03708","654973","Present",NA,NA
+"3709","(1S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,17-tetraene-11,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,17-tetraene-11,13-dione",NA,"C1C=CC2C3C1CC(=O)N3C(=O)C4=CC5=C(C=C24)OCO5","FKKBAODXESJEFJ-WWNCPBBQSA-N",375347,NA,"PDBC03709","654972","Present",NA,NA
+"3710","(1S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol;2,4,6-trinitrophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-5,7-Dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-triene-17,18-diol;2,4,6-trinitrophenol",NA,"C1CN2CC3=CC4=C(C=C3C5C2C1CC(C5O)O)OCO4.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","MDVROYDZPMMJCH-AVQFPDTQSA-N",375355,NA,"PDBC03710","654980","Present",NA,NA
+"3711","(1S)-5-Oxo-6-thio toluyl-benzyl borneol ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-5-Oxo-6-thio toluyl-benzyl borneol ether",NA,"CC1=CC=C(C=C1)SC2C(=O)C3CC(C2(C3(C)C)C)OCC4=CC=CC=C4","ZPLMHWNDHMXWMQ-UHFFFAOYSA-N",376750,NA,"PDBC03711","657804","Present",NA,NA
+"3712","(1S)-5-Oxo-borneol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-5-Oxo-borneol",NA,"CC1(C2CC(C1(CC2=O)C)O)C","ASKUROQIUGODMQ-UHFFFAOYSA-N",189214,NA,"PDBC03712","657807","Present",NA,NA
+"3713","(1S)-5-exo-Acetoxy bornyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-5-exo-Acetoxy bornyl acetate",NA,"CC(=O)OC1CC2C(CC1(C2(C)C)C)OC(=O)C","NVCJQWDGDMQBEX-UHFFFAOYSA-N",376752,NA,"PDBC03713","657808","Present",NA,NA
+"3714","(1S,12R)-1,12-Dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,8-tetraen-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,12R)-1,12-Dimethyl-5-propan-2-yl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2(7),3,5,8-tetraen-11-one",NA,"CC(C)C1=CC2=C(C=C1)C3(CCCC4(C3C(=C2)OC4=O)C)C","XZQMGTSVFBJVSX-IPNZSQQUSA-N",461867,NA,"PDBC03714","660820","Present",NA,NA
+"3715","(1S,12S,13R,15S)-13,15-Dibromo-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,12S,13R,15S)-13,15-Dibromo-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene",NA,"C1C2C(C(C1Br)C3=NC4=CC=CC=C4N=C23)Br","QOJHWZCVLHYPBW-QPYBSBGSSA-N",399194,NA,"PDBC03715","709856","Present",NA,NA
+"3716","(1S,13R)-1,13-Dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,13R)-1,13-Dimethyl-10-(2-phenylethyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-amine;hydrochloride",NA,"CC1C2CC3=C(C1(CCN2CCC4=CC=CC=C4)C)C=CC(=C3)N.Cl","PYICSTIAFXGCOR-UIVFSXBESA-N",398563,NA,"PDBC03716","708535","Present",NA,NA
+"3717","(1S,13R)-10-[2-(4-Aminophenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,13R)-10-[2-(4-Aminophenyl)ethyl]-1,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride",NA,"CC1C2CC3=C(C1(CCN2CCC4=CC=C(C=C4)N)C)C=CC(=C3)O.Cl","GYGXKLUICVXEBG-QGFFXIQTSA-N",398561,NA,"PDBC03717","708534","Present",NA,NA
+"3718","(1S,15S)-12-Cyclohexyl-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,15S)-12-Cyclohexyl-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione",NA,"C1CCC(CC1)C2C3=C(CC4N2C(=O)C5CCCN5C4=O)C6=CC=CC=C6N3","OVKNUBUHNCPVSB-CHEUHSMRSA-N",397172,NA,"PDBC03718","704577","Present",NA,NA
+"3719","(1S,15S)-15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,15S)-15-Methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol",NA,"COC1CC2C3(C=C1)C(CN2C(C4=CC5=C(C=C34)OCO5)O)O","ZSTPNQLNQBRLQF-OWMZEILZSA-N",402596,NA,"PDBC03719","716726","Present",NA,NA
+"3720","(1S,16S,18R)-19-Hydroxy-5,7,17-trioxa-12-azahexacyclo[10.7.1.02,10.04,8.015,20.016,18]icosa-2,4(8),9-trien-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,16S,18R)-19-Hydroxy-5,7,17-trioxa-12-azahexacyclo[10.7.1.02,10.04,8.015,20.016,18]icosa-2,4(8),9-trien-11-one",NA,"C1CN2C3C1C4C(O4)C(C3C5=CC6=C(C=C5C2=O)OCO6)O","YYZCFSHBOPGFQJ-UZMRKQKWSA-N",375350,NA,"PDBC03720","654975","Present",NA,NA
+"3721","(1S,21S)-12-Oxa-8-azapentacyclo[17.3.1.02,7.08,21.015,20]tricosa-2,4,6,15(20),16,18-hexaen-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,21S)-12-Oxa-8-azapentacyclo[17.3.1.02,7.08,21.015,20]tricosa-2,4,6,15(20),16,18-hexaen-11-one",NA,"C1CN2C3CC(CC4=CC=CC(=C34)CCOC1=O)C5=CC=CC=C52","OYHZIZWEBRSKBB-LPHOPBHVSA-N",5470593,NA,"PDBC03721","703181","Present",NA,NA
+"3722","(1S,2E,10E,14R)-3-(Hydroxymethyl)-11-methyl-7-methylidene-14-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,6-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2E,10E,14R)-3-(Hydroxymethyl)-11-methyl-7-methylidene-14-prop-1-en-2-ylcyclotetradeca-2,10-diene-1,6-diol",NA,"CC1=CCCC(=C)C(CCC(=CC(C(CC1)C(=C)C)O)CO)O","KYPQXVOXYHSDSZ-VETQSTDLSA-N",24204966,NA,"PDBC03722","733758","Present",NA,NA
+"3723","(1S,2R)-2-(Benzhydrylamino)-1-(1-phenylethenyl)cyclohexan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R)-2-(Benzhydrylamino)-1-(1-phenylethenyl)cyclohexan-1-ol",NA,"C=C(C1=CC=CC=C1)C2(CCCCC2NC(C3=CC=CC=C3)C4=CC=CC=C4)O","JHDLRFWEWSYBQD-VPUSJEBWSA-N",6711307,NA,"PDBC03723","617274","Present",NA,NA
+"3724","(1S,2R)-Cyclohexane-1,2-diamine;1-phosphonato-N-(phosphonatomethyl)methanamine;platinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Cyclohexane-1,2-diamine-[iminobis(nethylphosphonato)...",NA,"C1CCC(C(C1)N)N.C(NCP(=O)([O-])[O-])P(=O)([O-])[O-].[Pt+2]","RRZIYJZNZNMZNP-RUTFAPCESA-J",24202202,NA,"PDBC03724","632613","Present",NA,NA
+"3725","(1S,2R)-N-[2-(3,4-Dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R)-N-[2-(3,4-Dichlorophenyl)ethyl]-2-pyrrolidin-1-ylcyclohexan-1-amine;hydrobromide",NA,"C1CCC(C(C1)NCCC2=CC(=C(C=C2)Cl)Cl)N3CCCC3.Br","ZDNKMABALSLDHK-CJRXIRLBSA-N",401840,NA,"PDBC03725","715551","Present",NA,NA
+"3726","(1S,2R)-N-[2-(3,4-Dichlorophenyl)ethyl]-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R)-N-[2-(3,4-Dichlorophenyl)ethyl]-N-methyl-2-pyrrolidin-1-ylcyclohexan-1-amine;hydrobromide",NA,"CN(CCC1=CC(=C(C=C1)Cl)Cl)C2CCCCC2N3CCCC3.Br","WRTQWIFZNYHLCL-GRTNUQQKSA-N",398108,NA,"PDBC03726","707472","Present",NA,NA
+"3727","(1S,2R,13R,14S,17S,18S)-2,17,18-Trimethyl-6,9-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,10-dien-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,13R,14S,17S,18S)-2,17,18-Trimethyl-6,9-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,10-dien-17-ol",NA,"CC12CCC3=NCCN3C1=CCC4C2CCC5(C4CCC5(C)O)C","IYTWAYCUKKPIHQ-TTYLFXKOSA-N",248504,NA,"PDBC03727","65683","Present",NA,NA
+"3728","(1S,2R,17R)-18-(Cyclopropylmethyl)-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaen-12-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,17R)-18-(Cyclopropylmethyl)-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaen-12-ol",NA,"C1CC1CN2CCC34C5C2CC6=C3C(=C(C=C6)O)OC4C7=C(C5)C=NN7","CUXKILHHPZFMOE-VCTRGTQWSA-N",11969683,NA,"PDBC03728","611233","Present",NA,NA
+"3729","(1S,2R,17R)-18-Methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaen-12-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,17R)-18-Methyl-10-oxa-6,7,18-triazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaen-12-ol",NA,"CN1CCC23C4C1CC5=C2C(=C(C=C5)O)OC3C6=C(C4)C=NN6","YQIRCENLRUZGHC-WYBZEITLSA-N",6711276,NA,"PDBC03729","611230","Present",NA,NA
+"3730","(1S,2R,3R,4S,8E,12R,13S)-2,3,12-Trihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadec-8-en-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,3R,4S,8E,12R,13S)-2,3,12-Trihydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadec-8-en-15-one",NA,"CC1CCCC(=CCCC(C2CC(C(C1O)O)C(=C)C(=O)O2)(C)O)C","BUWBYKNJAXDGRB-JJFWNEBZSA-N",5469630,NA,"PDBC03730","690972","Present",NA,NA
+"3731","(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a,6a-dicarboxylic acid",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C)O)O)O)C)C)C2C1C)C(=O)O)C(=O)O","PUOQHFWXBKTHST-QZISOCEWSA-N",390624,NA,"PDBC03731","688226","Present",NA,NA
+"3732","(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-6a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,4As,6aR,6aR,6bR,8aR,10S,12aR,14bS)-1,2,6b,9,9,12a-hexamethyl-4a-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-10-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,6a,7,8,8a,10,11,12,",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C)O)O)O)C)C)C2C1C)C(=O)O)C(=O)OC7C(C(C(C(O7)CO)O)O)O","AQLCKWUMMOZIEY-NCNCBBAWSA-N",390625,NA,"PDBC03732","688227","Present",NA,NA
+"3733","(1S,2R,4R)-2-[Ethoxy(methylsulfinylmethyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,4R)-2-[Ethoxy(methylsulfinylmethyl)phosphoryl]oxy-4-methyl-1-propan-2-ylcyclohexane",NA,"CCOP(=O)(CS(=O)C)OC1CC(CCC1C(C)C)C","WJFOFVYWUDNMFL-MTHQAXEFSA-N",402909,NA,"PDBC03733","717231","Present",NA,NA
+"3734","(1S,2R,4R,8R)-15-Hydroxyspiro[5,7,9,14-tetraoxapentacyclo[10.6.0.02,15.03,10.04,8]octadeca-10,16-diene-6,1'-cyclohexane]-18-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,4R,8R)-15-Hydroxyspiro[5,7,9,14-tetraoxapentacyclo[10.6.0.02,15.03,10.04,8]octadeca-10,16-diene-6,1'-cyclohexane]-18-one",NA,"C1CCC2(CC1)OC3C4C5C6C(COC5(C=CC6=O)O)C=C4OC3O2","GDCVGUSFNRPOAZ-MWDOMAFCSA-N",367567,NA,"PDBC03734","637400","Present",NA,NA
+"3735","(1S,2R,4S,5R,7S,9R)-1,2,4,5,7,9-Hexamethyl-3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,4S,5R,7S,9R)-1,2,4,5,7,9-Hexamethyl-3,6,8,10-tetraoxatetracyclo[7.1.0.02,4.05,7]decane",NA,"CC12C(O1)(C3(C(O3)(OC4(C2(O4)C)C)C)C)C","GKBCLQUAMHOKQE-KUDAMMAASA-N",397374,NA,"PDBC03735","705027","Present",NA,NA
+"3736","(1S,2R,5E,10R,11S,12R,16S)-2-Hydroxy-2,6,10-trimethyl-15-(phenylsulfanylmethyl)-13,18-dioxatricyclo[9.6.1.012,16]octadec-5-en-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,5E,10R,11S,12R,16S)-2-Hydroxy-2,6,10-trimethyl-15-(phenylsulfanylmethyl)-13,18-dioxatricyclo[9.6.1.012,16]octadec-5-en-14-one",NA,"CC1CCCC(=CCCC(C2CC3C(C(=O)OC3C1O2)CSC4=CC=CC=C4)(C)O)C","KAWKSVZQTQFMCS-LHWUCHHOSA-N",5469629,NA,"PDBC03736","690971","Present",NA,NA
+"3737","(1S,2R,5S,7S,11R,12S,13R)-2-Hydroxy-16-(hydroxymethyl)-2,7,11-trimethyl-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadec-16-en-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,5S,7S,11R,12S,13R)-2-Hydroxy-16-(hydroxymethyl)-2,7,11-trimethyl-6,14,19-trioxatetracyclo[10.6.1.05,7.013,17]nonadec-16-en-15-one",NA,"CC1CCCC2(C(O2)CCC(C3CC4=C(C(=O)OC4C1O3)CO)(C)O)C","AFHMRMOLJSAPOS-RBJBTPEUSA-N",390111,NA,"PDBC03737","687102","Present",NA,NA
+"3738","(1S,2R,5Z,9S,14S)-14-(3-Hydroxyphenyl)-9-methoxy-13-oxatricyclo[7.3.2.01,14]tetradec-5-en-3,7-diyn-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,5Z,9S,14S)-14-(3-Hydroxyphenyl)-9-methoxy-13-oxatricyclo[7.3.2.01,14]tetradec-5-en-3,7-diyn-2-ol",NA,"COC12CCCC3(C1(O3)C4=CC(=CC=C4)O)C(C#CC=CC#C2)O","OPDNBKQWZXCVNZ-XJDJMWQOSA-N",5470323,NA,"PDBC03738","699643","Present",NA,NA
+"3739","(1S,2R,6E,10R,11S,12R,16S)-2-Hydroxy-2,6,10-trimethyl-15-methylidene-13,18-dioxatricyclo[9.6.1.012,16]octadec-6-en-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,6E,10R,11S,12R,16S)-2-Hydroxy-2,6,10-trimethyl-15-methylidene-13,18-dioxatricyclo[9.6.1.012,16]octadec-6-en-14-one",NA,"CC1CCC=C(CCCC(C2CC3C(C1O2)OC(=O)C3=C)(C)O)C","QVPVSSAPUVLMJP-NLFWLNTISA-N",5469904,NA,"PDBC03739","694074","Present",NA,NA
+"3740","(1S,2R,6R,9R,10R,13S,15S)-5-[(E,2R,5S)-5,6-Dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2R,6R,9R,10R,13S,15S)-5-[(E,2R,5S)-5,6-Dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol",NA,"CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C24C=CC5(C3(CCC(C5)O)C)OO4)C","VXOZCESVZIRHCJ-BPVWXLRGSA-N",5469431,NA,"PDBC03740","687955","Present",NA,NA
+"3741","(1S,2S)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S)-1-(4-fluorophenyl)-3-methylbutane-1,2-diamino-di...",NA,NA,NA,NA,NA,"PDBC03741","765876","Present",NA,NA
+"3742","(1S,2S)-1-Prop-1-ynylcyclohexane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S)-1-Prop-1-ynylcyclohexane-1,2-diol",NA,"CC#CC1(CCCCC1O)O","GGYHEENUGUTBLK-DTWKUNHWSA-N",6711304,NA,"PDBC03742","617175","Present",NA,NA
+"3743","(1S,2S)-2-Acetamidocyclohexyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S)-2-Acetamidocyclohexyl acetate",NA,"CC(=O)NC1CCCCC1OC(=O)C","BVZMBDRGQAOJGO-UWVGGRQHSA-N",398086,NA,"PDBC03743","707450","Present",NA,NA
+"3744","(1S,2S,13R,21R)-16,22-Dimethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,13R,21R)-16,22-Dimethyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,"CC1=C2C3=C(CC4C5(C3(CCN4C)C(O2)C6=C(C5)C7=CC=CC=C7N6)O)C=C1.Cl","GFYXJOYXEJUCKB-IIKZURRYSA-N",5471402,NA,"PDBC03744","711020","Present",NA,NA
+"3745","(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,"C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=CC=C7)O5)O)C8=CC=CC=C8N6.Cl","NOXGVLCBDLNJMH-IAFVTLROSA-N",5471383,NA,"PDBC03745","711010","Present",NA,NA
+"3746","(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-(3-hydroxyphenyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-(3-hydroxyphenyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,"C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)C8=CC(=CC=C8)O)O5)O)C9=CC=CC=C9N6.Cl","WOBIKFHNENXUAZ-OUZAMKAPSA-N",5471400,NA,"PDBC03746","711019","Present",NA,NA
+"3747","(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-(3-methoxyphenyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-(3-methoxyphenyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,"COC1=CC=CC(=C1)C2=C3C4=C(CC5C6(C4(CCN5CC7CC7)C(O3)C8=C(C6)C9=CC=CC=C9N8)O)C=C2.Cl","MXVSHQSOZNRGRL-REBVNRAYSA-N",5471396,NA,"PDBC03747","711017","Present",NA,NA
+"3748","(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,"CC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C7=C(C5)C8=CC=CC=C8N7)O)C=C1.Cl","MZLIMMIQMUODBP-ZHXLFDHXSA-N",5471387,NA,"PDBC03748","711012","Present",NA,NA
+"3749","(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-phenyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-16-phenyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol;hydrochloride",NA,"C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)C8=CC=CC=C8)O5)O)C9=CC=CC=C9N6.Cl","XWFJYZCEJIJYOI-OUZAMKAPSA-N",5471389,NA,"PDBC03749","711013","Present",NA,NA
+"3750","(1S,2S,14R,15R,16R)-14lambda4-Thia-3-azapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-4(13),5,7,9,11,17-hexaene 14-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,14R,15R,16R)-14lambda4-Thia-3-azapentacyclo[14.2.1.02,15.04,13.05,10]nonadeca-4(13),5,7,9,11,17-hexaene 14-oxide",NA,"C1C2C=CC1C3C2NC4=C(S3=O)C=CC5=CC=CC=C54","OVRIQMHWEPTNQL-VGSQABBKSA-N",9572255,NA,"PDBC03750","709366","Present",NA,NA
+"3751","(1S,2S,14R,22R)-23-(Cyclopropylmethyl)-17-methyl-15-oxa-12,23-diazaheptacyclo[14.9.1.01,14.02,22.04,13.06,11.020,26]hexacosa-4,6,8,10,12,16,18,20(26)-octaen-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,14R,22R)-23-(Cyclopropylmethyl)-17-methyl-15-oxa-12,23-diazaheptacyclo[14.9.1.01,14.02,22.04,13.06,11.020,26]hexacosa-4,6,8,10,12,16,18,20(26)-octaen-2-ol;hydrochloride",NA,"CC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C7=NC8=CC=CC=C8C=C7C5)O)C=C1.Cl","LPEYLPVLNIGVCD-UEKGEDQBSA-N",5471391,NA,"PDBC03751","711014","Present",NA,NA
+"3752","(1S,2S,3Ar,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-12-methylidene-10,11,13-tris(2-methylpropoxy)-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,3Ar,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-12-methylidene-10,11,13-tris(2-methylpropoxy)-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-4-one",NA,"CC1CC2(C(C1O)C(C(=C)C(C(C(C(C=CC(C2=O)C)(C)C)O)OCC(C)C)OCC(C)C)OCC(C)C)O","OHEHQWIINVMVSF-GYPAEEOGSA-N",5469440,NA,"PDBC03752","688221","Present",NA,NA
+"3753","(1S,2S,3R)-1-Dimethoxyphosphoryl-1,3-diphenylpropane-1,2,3-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1s,2s,3r)-1-Dimethoxyphosphoryl-1,3-diphenyl-propane-1,2,3-triol",NA,"COP(=O)(C(C1=CC=CC=C1)(C(C(C2=CC=CC=C2)O)O)O)OC","IFNOFTADTUSLHP-IKGGRYGDSA-N",398050,NA,"PDBC03753","707212","Present",NA,NA
+"3754","(1S,2S,3R)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenylpropane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1s,2s,3r)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenyl-propane-1,2-diol",NA,"COC(C1=CC=CC=C1)C(C(C2=CC=CC=C2)(O)P(=O)(OC)OC)O","UDUCETYLSJAFTA-SQNIBIBYSA-N",398048,NA,"PDBC03754","707210","Present",NA,NA
+"3755","(1S,2S,3S)-1-Dimethoxyphosphoryl-1,3-diphenylpropane-1,2,3-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1s,2s,3s)-1-Dimethoxyphosphoryl-1,3-diphenyl-propane-1,2,3-triol",NA,"COP(=O)(C(C1=CC=CC=C1)(C(C(C2=CC=CC=C2)O)O)O)OC","IFNOFTADTUSLHP-ULQDDVLXSA-N",398049,NA,"PDBC03755","707211","Present",NA,NA
+"3756","(1S,2S,3S)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenylpropane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1s,2s,3s)-1-Dimethoxyphosphoryl-3-methoxy-1,3-diphenyl-propane-1,2-diol",NA,"COC(C1=CC=CC=C1)C(C(C2=CC=CC=C2)(O)P(=O)(OC)OC)O","UDUCETYLSJAFTA-BZSNNMDCSA-N",398047,NA,"PDBC03756","707209","Present",NA,NA
+"3757","(1S,2S,4R,7E,11S)-8-[(E)-(3-Amino-5-bromopyridin-2-yl)iminomethyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((E)-((3-amino-5-bromopyridin-2-...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)C=NC4=C(C=C(C=N4)Br)N","UHYJERHJFJQKFT-SODJJYDYSA-N",155812136,NA,"PDBC03757","791142","Present",NA,NA
+"3758","(1S,2S,4R,7E,11S)-8-[[2-Amino-4,6-bis(trifluoromethyl)phenyl]iminomethyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((E)-((2-amino-4,6-bis(trifluoro...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)C=NC4=C(C=C(C=C4N)C(F)(F)F)C(F)(F)F","DNDXFAXZDWAGQS-USGDOMLQSA-N",155813501,NA,"PDBC03758","787466","Present",NA,NA
+"3759","(1S,2S,4R,7E,11S)-8-[[2-Amino-4-(trifluoromethyl)phenyl]iminomethyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((E)-((2-amino-4-(trifluoromethy...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)C=NC4=C(C=C(C=C4)C(F)(F)F)N","RJXVLOXLXRIXAF-XGXJOMTDSA-N",155815387,NA,"PDBC03759","788198","Present",NA,NA
+"3760","(1S,2S,4R,7E,11S)-8-[[2-Amino-6-bromo-4-(trifluoromethyl)phenyl]iminomethyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((E)-((2-amino-6-bromo-4-(triflu...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)C=NC4=C(C=C(C=C4Br)C(F)(F)F)N","LTNXWJFXCXMDNV-IXXQRXQASA-N",155808852,NA,"PDBC03760","791140","Present",NA,NA
+"3761","(1S,2S,4R,7E,11S)-8-[[4-(1H-Indol-3-ylmethyl)triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((4-((1H-indol-3-yl)methyl)-1H-1...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CC5=CNC6=CC=CC=C65","JUDKRQKDFYDSTP-UEKBPLPMSA-N",155812380,NA,"PDBC03761","800509","Present",NA,NA
+"3762","(1S,2S,4R,7E,11S)-8-[[4-(Indol-1-ylmethyl)triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((4-((1H-indol-1-yl)methyl)-1H-1...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CN5C=CC6=CC=CC=C65","VACWPPLZFVCXQV-NJTUZNMKSA-N",155806118,NA,"PDBC03762","800510","Present",NA,NA
+"3763","(1S,2S,4R,7E,11S)-8-[[4-[(5-Chloroindol-1-yl)methyl]triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((4-((5-chloro-1H-indol-1-yl)met...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CN5C=CC6=C5C=CC(=C6)Cl","FGKYLUSTMMIIST-UBKXWIOXSA-N",155817011,NA,"PDBC03763","800512","Present",NA,NA
+"3764","(1S,2S,4R,7E,11S)-8-[[4-[[2-(5-Chloro-1H-indol-3-yl)ethylamino]methyl]triazol-1-yl]methyl]-4-methyl-12-methylidene-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((4-(((2-(5-chloro-1H-indol-3-yl...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CNCCC5=CNC6=C5C=C(C=C6)Cl","BNJXFGJBCLMCHB-YGJDLAIGSA-N",155817377,NA,"PDBC03764","802184","Present",NA,NA
+"3765","(1S,2S,4R,7R,9S,10S,14Z)-9-Methoxy-4-phenyl-3,5,8-trioxatricyclo[8.6.0.02,7]hexadec-14-en-10-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,4R,7R,9S,10S,14Z)-9-Methoxy-4-phenyl-3,5,8-trioxatricyclo[8.6.0.02,7]hexadec-14-en-10-ol",NA,"COC1C2(CCCC=CCC2C3C(O1)COC(O3)C4=CC=CC=C4)O","XLQWQUINSQBUCA-XHEUGJQQSA-N",5471916,NA,"PDBC03765","715403","Present",NA,NA
+"3766","(1S,2S,5R,8Z,12S,20S)-5-Hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,13,15,18-tetraen-6,10-diyn-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,5R,8Z,12S,20S)-5-Hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,13,15,18-tetraen-6,10-diyn-17-one",NA,"CC1CC(C2(C#CC=CC#CC3C14C2(O4)C5=CC(=O)C=CC5=N3)O)(OC)OC","OAGMOQFBOHDCHJ-HKWPUVMNSA-N",54608874,NA,"PDBC03766","668918","Present",NA,NA
+"3767","(1S,2S,5S,6S,9S,10R,13S)-1,5,6-Trimethyl-17-phenyl-16,18-diazapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-trien-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,5S,6S,9S,10R,13S)-1,5,6-Trimethyl-17-phenyl-16,18-diazapentacyclo[11.8.0.02,10.05,9.015,20]henicosa-15,17,19-trien-6-ol",NA,"CC12CCC3C(C1CCC2(C)O)CCC4C3(CC5=CN=C(N=C5C4)C6=CC=CC=C6)C","PHBHRCDYKYBQFC-RSFKWRCVSA-N",236853,NA,"PDBC03767","39863","Present",NA,NA
+"3768","(1S,2S,6R,7S,9S,12S,13R,18R,19E)-19-(Dimethylhydrazinylidene)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,18-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,6R,7S,9S,12S,13R,18R,19E)-19-(Dimethylhydrazinylidene)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16,18-diol",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC(=NN(C)C)C6(C5(CCC(C6)O)C)O)C)C)OC1","QYEUONPYGDZCIT-IONYHKMLSA-N",9572302,NA,"PDBC03768","710483","Present",NA,NA
+"3769","(1S,3'R,5R,6R,8S,12R,16R)-3',4,6,12,17,17-Hexamethylspiro[9,18,24-trioxapentacyclo[19.2.1.04,12.05,10.016,22]tetracosa-20,22-diene-8,5'-oxolane]-2',19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,3'R,5R,6R,8S,12R,16R)-3',4,6,12,17,17-Hexamethylspiro[9,18,24-trioxapentacyclo[19.2.1.04,12.05,10.016,22]tetracosa-20,22-diene-8,5'-oxolane]-2',19-dione",NA,"CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC5C=C6C(CCCC4(C3)C)C(OC(=O)C=C6O5)(C)C)C","DWTPZWHXVUGASY-ALKMDLPJSA-N",6711418,NA,"PDBC03769","625922","Present",NA,NA
+"3770","(1S,34R,35S,37R,41R,53S,54R)-7,8,18,28,29,35,55,56,57,58-Decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,34R,35S,37R,41R,53S,54R)-7,8,18,28,29,35,55,56,57,58-Decahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,3",NA,"CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(CO1)OC(=O)CC(CC(=O)O2)(C)O)O)O)O)C)C)(C)C)O)O)O)O","PXAJIPKKQKKYQF-CTOGHNBRSA-N",5468492,NA,"PDBC03770","670927","Present",NA,NA
+"3771","(1S,34R,35S,37R,41R,53S,54R)-7,8,18,28,29,35,55,56,58-Nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,24,26,31,33-decaoxadecacyclo[39.9.3.211,14.222,25.134,38.01,46.04,9.027,32.037,42.045,53]octapentacont-44-ene-2,16,20-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,34R,35S,37R,41R,53S,54R)-7,8,18,28,29,35,55,56,58-Nonahydroxy-30,54-bis(hydroxymethyl)-13,18,37,41,48,48,53,54-octamethyl-57-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,24,26,",NA,"CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(CO1)OC(=O)CC(CC(=O)O2)(C)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(C(C(O1)CO)O)O)O","CJQSGSKSCOZUHT-XXEQEMTNSA-N",5468493,NA,"PDBC03771","670928","Present",NA,NA
+"3772","(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,58,59-Undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,58,59-Undecahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.",NA,"CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)(C)C)O)O)O)O","HGMUWZLIIKARAM-VDBSVQPBSA-N",382980,NA,"PDBC03772","670926","Present",NA,NA
+"3773","(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,59-Decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,33,35,57-decaoxadecacyclo[41.9.3.211,14.123,27.136,40.01,48.04,9.029,34.039,44.047,55]nonapentacont-46-ene-2,16,20-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,36R,37S,39R,43R,55S,56R)-7,8,18,24,25,26,30,31,37,59-Decahydroxy-32,56-bis(hydroxymethyl)-13,18,39,43,50,50,55,56-octamethyl-58-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5,10,12,15,21,28,",NA,"CC1C2C(C(C(O1)OC3C(C(COC3OC(=O)C45CCC(CC4C6=CCC7C(C6(CC5)C)(CCC8C7(CC(C(C8(C)CO)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)COC(=O)CC(CC(=O)O2)(C)O)O)O)O)O)C)C)(C)C)O)O)O)OC1C(C(C(C(O1)CO)O)O)O","KWELEGZHIBQWTP-ZSDNWLRHSA-N",382983,NA,"PDBC03773","670929","Present",NA,NA
+"3774","(1S,3Ar,4S,6R)-1,4,7-trimethyl-6-(2-methylprop-1-enyl)-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,3Ar,4S,6R)-1,4,7-trimethyl-6-(2-methylprop-1-enyl)-2,3,3a,4,5,6-hexahydro-1H-phenaleno[2,1-d][1,3]oxazole",NA,"CC1CCC2C(CC(C3=C(C4=C(C1=C23)OC=N4)C)C=C(C)C)C","HTRVXIUUWGLCAT-DARAHFNDSA-N",394132,NA,"PDBC03774","697269","Present",NA,NA
+"3775","(1S,3R,3As,7R,7aR)-4-methyl-7-propan-2-yl-1-[(E)-prop-1-enyl]-3-(3-trimethylsilylprop-2-ynyl)-3,6,7,7a-tetrahydro-1H-2-benzofuran-3a-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,3R,3As,7R,7aR)-4-methyl-7-propan-2-yl-1-[(E)-prop-1-enyl]-3-(3-trimethylsilylprop-2-ynyl)-3,6,7,7a-tetrahydro-1H-2-benzofuran-3a-carbaldehyde",NA,"CC=CC1C2C(CC=C(C2(C(O1)CC#C[Si](C)(C)C)C=O)C)C(C)C","WHKOXSLWDIXKLW-NEQXNMKJSA-N",5471920,NA,"PDBC03775","715431","Present",NA,NA
+"3776","(1S,3R,5R,8E,12E,15S)-5,9,13-Trimethylspiro[4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18,1'-cyclopropane]-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,3R,5R,8E,12E,15S)-5,9,13-Trimethylspiro[4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18,1'-cyclopropane]-17-one",NA,"CC1=CCCC2(C(O2)CC3C(CC(=CCC1)C)OC(=O)C34CC4)C","DNGHVFVRPAPXHO-OZVFOYKCSA-N",5469940,NA,"PDBC03776","694508","Present",NA,NA
+"3777","(1S,3R,5R,8E,12E,15S,18Z)-18-Ethylidene-5,9,13-trimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,3R,5R,8E,12E,15S,18Z)-18-Ethylidene-5,9,13-trimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-dien-17-one",NA,"CC=C1C2CC3C(O3)(CCC=C(CCC=C(CC2OC1=O)C)C)C","RJNXYZVXIUZUGQ-ZQBANDMSSA-N",5469939,NA,"PDBC03777","694507","Present",NA,NA
+"3778","(1S,3R,5R,8S,10S,13R)-1,5,10-Trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecan-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,3R,5R,8S,10S,13R)-1,5,10-Trimethyl-14-propan-2-ylidene-4,9-dioxatetracyclo[11.3.0.03,5.08,10]hexadecan-15-one",NA,"CC(=C1C2CCC3(C(O3)CCC4(C(O4)CC2(CC1=O)C)C)C)C","YUVBUOIJKQKXOJ-CYCKGHESSA-N",6712447,NA,"PDBC03778","687108","Present",NA,NA
+"3779","(1S,3S,10Z,14R)-14-Hydroxy-3,10,14-trimethyl-6-propan-2-ylidenetricyclo[9.3.0.03,7]tetradec-10-en-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,3S,10Z,14R)-14-Hydroxy-3,10,14-trimethyl-6-propan-2-ylidenetricyclo[9.3.0.03,7]tetradec-10-en-5-one",NA,"CC1=C2CCC(C2CC3(CC(=O)C(=C(C)C)C3CC1)C)(C)O","HXRQTDGNKLZURY-YINRZDLESA-N",5469366,NA,"PDBC03779","687109","Present",NA,NA
+"3780","(1S,3S,4S,8S,9R,10S,11R,12R)-3-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-9,10,11-tris(phenylmethoxy)-2-oxatricyclo[6.3.1.04,12]dodec-6-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,3S,4S,8S,9R,10S,11R,12R)-3-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-9,10,11-tris(phenylmethoxy)-2-oxatricyclo[6.3.1.04,12]dodec-6-en-1-ol",NA,"CC1(OCC(O1)C2C(OC(O2)(C)C)C3C4CC=CC5C4C(O3)(C(C(C5OCC6=CC=CC=C6)OCC7=CC=CC=C7)OCC8=CC=CC=C8)O)C","UMQHGBHPDKSLAT-GZMJYULGSA-N",402829,NA,"PDBC03780","717081","Present",NA,NA
+"3781","(1S,4Ar,8aR)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4Ar,8aR)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione",NA,"CC1C2CN(C(=O)CC2CC(=O)O1)CCC3CN(C4=CC=CC=C34)S(=O)(=O)C(F)(F)F","PGMSSMPOZWHEEP-LKJGZXFDSA-N",394110,NA,"PDBC03781","697247","Present",NA,NA
+"3782","(1S,4Ar,8aR)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)indol-3-yl]ethyl]-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4Ar,8aR)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)indol-3-yl]ethyl]-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione",NA,"CC1C2CN(C(=O)CC2CC(=O)O1)CCC3=CN(C4=CC=CC=C43)S(=O)(=O)C(F)(F)F","BLWNVVLRXORDCC-JGGQBBKZSA-N",394100,NA,"PDBC03782","697237","Present",NA,NA
+"3783","(1S,4Ar,8aR)-7-[(4-methoxyphenyl)methyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4Ar,8aR)-7-[(4-methoxyphenyl)methyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione",NA,"CC1C2CN(C(=O)CC2CC(=O)O1)CC3=CC=C(C=C3)OC","UFCJAHNAPOXBRE-NJZAAPMLSA-N",394105,NA,"PDBC03783","697242","Present",NA,NA
+"3784","(1S,4Ar,8aR)-7-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4Ar,8aR)-7-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione",NA,"CC1C2CN(C(=O)CC2CC(=O)O1)CCC3CN(C4=CC=CC=C34)C(=O)C5=CC=CC=C5","DZZHRXBAOAEVDI-XRSKCJJXSA-N",394090,NA,"PDBC03784","697228","Present",NA,NA
+"3785","(1S,4Ar,8aR)-7-[2-[5-[[3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-5-yl]methyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]-1-methyl-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridine-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4Ar,8aR)-7-[2-[5-[[3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-1-(trifluoromethylsulfonyl)-2,3-dihydroindol-5-yl]methyl]-1-(trifluoromethylsulfony",NA,"CC1C2CN(C(=O)CC2CC(=O)O1)CCC3CN(C4=C3C=C(C=C4)CC5=CC6=C(C=C5)N(CC6CCN7CC8C(OC(=O)CC8CC7=O)C)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F","ATCFRYKEXJDPKB-SDNVMOERSA-N",394113,NA,"PDBC03785","697250","Present",NA,NA
+"3786","(1S,4As,6bR,10S,12aR)-10-hydroxy-6a-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4As,6bR,10S,12aR)-10-hydroxy-6a-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxymethyl]-1,2,6b,9,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)COC(=O)C=CC6=CC(=C(C=C6)O)OC)C(=O)O","BRRFDRKIGYRDOD-PSKUXPDZSA-N",5459259,NA,"PDBC03786","664161","Present",NA,NA
+"3787","(1S,4As,6bR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-prop-2-enoxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4As,6bR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-prop-2-enoxy-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OCC=C)C)C)C2C1C)C)C(=O)O","QHRJGWIPFKIWOB-BMBIXURVSA-N",363628,NA,"PDBC03787","628657","Present",NA,NA
+"3788","(1S,4As,6bR,10S,12aR,14bS)-10-(benzenesulfonyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4As,6bR,10S,12aR,14bS)-10-(benzenesulfonyloxy)-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OS(=O)(=O)C6=CC=CC=C6)C)C)C2C1C)C)C(=O)O","BFYDIIAMUQPHHA-BIRGOHKKSA-N",363629,NA,"PDBC03788","628658","Present",NA,NA
+"3789","(1S,4As,6bR,12aS,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-2,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4As,6bR,12aS,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10,13-dioxo-2,3,4,5,6,6a,7,8,8a,11,12,14b-dodecahydro-1H-picene-4a-carboxylic acid",NA,"CC1CCC2(CCC3(C(=CC(=O)C4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O","GZKMFYLBPHPWEI-DGRUQNLJSA-N",363631,NA,"PDBC03789","628660","Present",NA,NA
+"3790","(1S,4E,8E,12R,13R)-12-Hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4E,8E,12R,13R)-12-Hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one",NA,"CC1=CCCC(C2CC(CCC(=CCC1)C)C(=C)C(=O)O2)(C)O","VCLOBFBJUDXQFF-LNBGVRSBSA-N",24204797,NA,"PDBC03790","732954","Present",NA,NA
+"3791","(1S,4E,8E,12R,13R)-12-Hydroxy-4,8,12-trimethylspiro[14-oxabicyclo[11.3.1]heptadeca-4,8-diene-16,1'-cyclopropane]-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4E,8E,12R,13R)-12-Hydroxy-4,8,12-trimethylspiro[14-oxabicyclo[11.3.1]heptadeca-4,8-diene-16,1'-cyclopropane]-15-one",NA,"CC1=CCCC(C2CC(CCC(=CCC1)C)C3(CC3)C(=O)O2)(C)O","XNNBFZLVZXGBQA-HECNBYASSA-N",24204798,NA,"PDBC03791","732955","Present",NA,NA
+"3792","(1S,4E,8E,12R,13R)-4,8,12-Trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-12-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4E,8E,12R,13R)-4,8,12-Trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-12-ol",NA,"CC1=CCCC(C2CC(CCC(=CCC1)C)C(=C)CO2)(C)O","JZRCCROTDODQNI-ZNNUXXTPSA-N",24204489,NA,"PDBC03792","732058","Present",NA,NA
+"3793","(1S,4E,8E,12R,13S)-12-Hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4E,8E,12R,13S)-12-Hydroxy-4,8,12-trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one",NA,"CC1=CCCC(C2CC(CCC(=CCC1)C)C(=C)C(=O)O2)(C)O","VCLOBFBJUDXQFF-ZPPTYIRSSA-N",10087270,NA,"PDBC03793","732956","Present",NA,NA
+"3794","(1S,4E,8E,12R,13S)-12-Hydroxy-4,8,12-trimethylspiro[14-oxabicyclo[11.3.1]heptadeca-4,8-diene-16,1'-cyclopropane]-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4E,8E,12R,13S)-12-Hydroxy-4,8,12-trimethylspiro[14-oxabicyclo[11.3.1]heptadeca-4,8-diene-16,1'-cyclopropane]-15-one",NA,"CC1=CCCC(C2CC(CCC(=CCC1)C)C3(CC3)C(=O)O2)(C)O","XNNBFZLVZXGBQA-IZPKOEMQSA-N",24205277,NA,"PDBC03794","734914","Present",NA,NA
+"3795","(1S,4E,8E,12R,13S)-4,8,12-Trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4E,8E,12R,13S)-4,8,12-Trimethyl-16-methylidene-14-oxabicyclo[11.3.1]heptadeca-4,8-dien-15-one",NA,"CC1CCC=C(CCC=C(CCC2CC1OC(=O)C2=C)C)C","MMYREIHYAJOUPD-JHRJGRAISA-N",24204490,NA,"PDBC03795","732059","Present",NA,NA
+"3796","(1S,4R,12R)-5,9,9,12-Tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-5,7-dien-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4R,12R)-5,9,9,12-Tetramethyl-2-oxatricyclo[6.3.1.04,12]dodeca-5,7-dien-3-one",NA,"CC1=CC=C2C(CCC3C2(C1C(=O)O3)C)(C)C","ARUBZJPDTYWSMD-SLEUVZQESA-N",359823,NA,"PDBC03796","621388","Present",NA,NA
+"3797","(1S,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-8-(4-methyl-2-oxopent-3-enyl)-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4R,5R,6R,7R,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-8-(4-methyl-2-oxopent-3-enyl)-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-ene-9,16-dione",NA,"CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)CC(=O)C=C(C)C","FQKZHMCFLCFWHD-NXCIYNMCSA-N",394185,NA,"PDBC03797","697453","Present",NA,NA
+"3798","(1S,4R,6R,9R,11R,14R,15R)-14-Hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4R,6R,9R,11R,14R,15R)-14-Hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one",NA,"CC12CCC3CC(C(CCC4C(O4)(CCC1O2)C)(C)O)OC(=O)C3=C","NSYYMNPKVDJSPB-YDEBIOCVSA-N",24205275,NA,"PDBC03798","734912","Present",NA,NA
+"3799","(1S,4S,5R,8S,12R,13R)-1,5,9-Trimethyl-10-[[(1S,4S,5R,8S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4S,5R,8S,12R,13R)-1,5,9-Trimethyl-10-[[(1S,4S,5R,8S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentade",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(O4)C)OC5C(C6CCC(C7C68C(O5)OC(O8)(CC7)C)C)C)C","KQEOZJHTBAWJLC-PQMZQSAWSA-N",393525,NA,"PDBC03799","695583","Present",NA,NA
+"3800","(1S,4S,5R,8S,12R,13R)-10-[[(1S,4S,5R,8S,12R,13R)-1,5-Dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4S,5R,8S,12R,13R)-10-[[(1S,4S,5R,8S,12R,13R)-1,5-Dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-1,5-dimethyl-9-methylidene-11,14,15-trioxatetracyclo[10.2",NA,"CC1CCC2C(=C)C(OC3C24C1CCC(O3)(O4)C)OC5C(=C)C6CCC(C7C68C(O5)OC(O8)(CC7)C)C","RBEXJLLKWRXJPG-WNKYVSPXSA-N",6712467,NA,"PDBC03800","690034","Present",NA,NA
+"3801","(1S,4S,5R,8S,9S,12R,13R)-1,5,9-Trimethyl-10-[[(1S,4S,5R,8S,9S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4S,5R,8S,9S,12R,13R)-1,5,9-Trimethyl-10-[[(1S,4S,5R,8S,9S,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]p",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(O4)C)OC5C(C6CCC(C7C68C(O5)OC(O8)(CC7)C)C)C)C","KQEOZJHTBAWJLC-KNTHCOCFSA-N",393526,NA,"PDBC03801","695584","Present",NA,NA
+"3802","(1S,4S,5R,9R,12R,13R)-1,5,9-Trimethyl-10-[2-[[(1S,4S,5R,9R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4S,5R,9R,12R,13R)-1,5,9-Trimethyl-10-[2-[[(1S,4S,5R,9R,12R,13R)-1,5,9-trimethyl-11,14,15-trioxatetracyclo[10.2.1.04,13.08,13]pentadecan-10-yl]oxy]ethoxy]-11,14,15-trioxatetracyclo[10.2.1.04,13.08,",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(O4)C)OCCOC5C(C6CCC(C7C68C(O5)OC(O8)(CC7)C)C)C)C","ITARMHUQBFBLID-HNKUJWQESA-N",6712644,NA,"PDBC03802","704065","Present",NA,NA
+"3803","(1S,4S,6S,9E,13R,14R)-13-Hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4S,6S,9E,13R,14R)-13-Hydroxy-4,9,13-trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one",NA,"CC1=CCCC(C2CC(CCC3(C(O3)CC1)C)C(=C)C(=O)O2)(C)O","YKKJETNBRNDYKN-XAFJVBEQSA-N",24204492,NA,"PDBC03803","732061","Present",NA,NA
+"3804","(1S,4S,6S,9R,11R,14R,15R)-14-Hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4S,6S,9R,11R,14R,15R)-14-Hydroxy-4,9,14-trimethyl-18-methylidene-5,10,16-trioxatetracyclo[13.3.1.04,6.09,11]nonadecan-17-one",NA,"CC12CCC3CC(C(CCC4C(O4)(CCC1O2)C)(C)O)OC(=O)C3=C","NSYYMNPKVDJSPB-JTBPYRKJSA-N",24205276,NA,"PDBC03804","734913","Present",NA,NA
+"3805","(1S,4S,8S,11S,15S,18S)-4,11,18-Tribenzyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4S,8S,11S,15S,18S)-4,11,18-Tribenzyl-7,14,21-trimethyl-6,13,20-trioxa-3,10,17,22,23,24-hexazatetracyclo[17.2.1.15,8.112,15]tetracosa-5(24),12(23),19(22)-triene-2,9,16-trione",NA,"CC1C2C(=O)NC(C3=NC(C(O3)C)C(=O)NC(C4=NC(C(O4)C)C(=O)NC(C(=N2)O1)CC5=CC=CC=C5)CC6=CC=CC=C6)CC7=CC=CC=C7","WRDPUOVJPNLDHH-MMMVWOSESA-N",379704,NA,"PDBC03805","664577","Present",NA,NA
+"3806","(1S,4S,9S,10R,13R,14S)-5,5,9-Trimethyl-6-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4S,9S,10R,13R,14S)-5,5,9-Trimethyl-6-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-14-carboxylic acid",NA,"CC1(C2CCC34CC(CCC3C2(CCC1=C)C)C(C4)C(=O)O)C","NMZOPNLCOUYALZ-HGWRGTDWSA-N",6712451,NA,"PDBC03806","688225","Present",NA,NA
+"3807","(1S,4Z,4As,8aR)-4-(dimethylaminomethylidene)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)indol-3-yl]ethyl]-4a,5,8,8a-tetrahydro-1H-pyrano[3,4-c]pyridine-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4Z,4As,8aR)-4-(dimethylaminomethylidene)-1-methyl-7-[2-[1-(trifluoromethylsulfonyl)indol-3-yl]ethyl]-4a,5,8,8a-tetrahydro-1H-pyrano[3,4-c]pyridine-3,6-dione",NA,"CC1C2CN(C(=O)CC2C(=CN(C)C)C(=O)O1)CCC3=CN(C4=CC=CC=C43)S(=O)(=O)C(F)(F)F","DEWFJUMRJTWDMV-HIBXVJLUSA-N",5470066,NA,"PDBC03807","697246","Present",NA,NA
+"3808","(1S,5R,12R,13S)-9-[(2-{[(1S,4R,5R,8R,12R,13S)-1,5-Dimethy l)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methoxy}ethoxy)methyl]-1,5-dimethyl-10-(trifluoro methyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]he xadec-9-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4R,5R,12R,13S)-9-[(2-{[(1S,4R,5R,8R,12R,13S)-1,5-dim...",NA,"CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)COCCOCC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F","IEGZHCBILWXDBP-KBTZNAIJSA-N",54612640,NA,"PDBC03808","724780","Present",NA,NA
+"3809","(1S,5R,7S,8R,9S,14S)-12-Hydroxy-3,7,11,14-tetramethyltetracyclo[6.5.3.01,9.05,9]hexadeca-3,11-diene-10,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,5R,7S,8R,9S,14S)-12-Hydroxy-3,7,11,14-tetramethyltetracyclo[6.5.3.01,9.05,9]hexadeca-3,11-diene-10,13-dione",NA,"CC1CCC2C(CC3C24C1(CC(=C3)C)C(=O)C(=C(C4=O)C)O)C","CGNQDBPLJCEZON-BLFZJPSUSA-N",24205278,NA,"PDBC03809","734915","Present",NA,NA
+"3810","(1S,5R,8R,12R,13S)-1,5-Dimethyl-9-methylene-11,14,15,16-t etraoxatetracyclo[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-3-he xenyl)oxy]-1,5,-dimethyl-9-methylene-11,14,15,16-tetraoxatet racyclo[10.3.1.04,13.08,13]hexadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4R,5R,8R,12R,13S)-1,5-dimethyl-9-methylene-11,14,15,...",NA,"CC1CCC2C(=C)C(OC3C24C1CCC(O3)(OO4)C)OCC=CCOC5C(=C)C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C","VBHIZVZOWZNOCX-VBLCMYPVSA-N",54612587,NA,"PDBC03810","724784","Present",NA,NA
+"3811","(1S,5R,8R,12R,13S)-9-{[(1S,4R,5R,8R,12R,13S)-1,5-Dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1. 04,13.08,13]hexadec-9-en-9-yl]methoxy}-2-butenyl)oxy]methyl}-1,5-dimethyl-10-trifluoromethyl)-11,14,15,16-tetraoxatetrac yclo[10.3.1.04,13.08,13]hexadec-9-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4R,5R,8R,12R,13S)-9-{[(1S,4R,5R,8R,12R,13S)-1,5-dime...",NA,"CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)COCC=CCOCC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F","QKYGVYDWCPIOHC-ZAQHIASYSA-N",54612586,NA,"PDBC03811","724781","Present",NA,NA
+"3812","(1S,5R,8R,9R,12R,13S)-1,5,9-Trimethyl-10-[(4-{[(1S,4R,5R, 8R,9R,12R,13S)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracycl o[10.3.1.04,13.08,13]hexadec-10-yl]oxy}-2-butenyl)oxy]-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,4R,5R,8R,9R,12R,13S)-1,5,9-trimethyl-10-[(4-{[(1S,4R...",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC=CCOC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C","FYPHPAIHOJTHRN-LXEWPXTESA-N",54612641,NA,"PDBC03812","724782","Present",NA,NA
+"3813","(1S,5S,6R,10E,14R,15S,17R)-14-Hydroxy-6,10,14-trimethyl-2-methylidene-4,16-dioxatricyclo[13.2.1.05,17]octadec-10-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,5S,6R,10E,14R,15S,17R)-14-Hydroxy-6,10,14-trimethyl-2-methylidene-4,16-dioxatricyclo[13.2.1.05,17]octadec-10-en-3-one",NA,"CC1CCCC(=CCCC(C2CC3C(C1OC(=O)C3=C)O2)(C)O)C","RDFQYGQCGXTVIC-DQZSCPCJSA-N",6520568,NA,"PDBC03813","734918","Present",NA,NA
+"3814","(1S,5S,7R)-1-Phenyl-5-benzoyl-7-acetoxy-2-thiabicyclo[3.2.0]heptane-3,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,5S,7R)-1-Phenyl-5-benzoyl-7-acetoxy-2-thiabicyclo[3.2.0]heptane-3,4-dione",NA,"CC(=O)OC1CC2(C1(SC(=O)C2=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","RMLSHFDAUOPKJB-TYCQWZJGSA-N",402836,NA,"PDBC03814","717089","Present",NA,NA
+"3815","(1S,5S,8R,11R,12R)-5-Methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,5S,8R,11R,12R)-5-Methoxy-2,12-dimethyl-6-methylidene-16-oxapentacyclo[10.3.2.15,8.01,11.02,8]octadecane-7,17-dione",NA,"CC12CCCC3(C1CCC45C3(CCC(C4)(C(=C)C5=O)OC)C)OC2=O","UCXBBKCPRLOQQA-HBXWJTHTSA-N",6712298,NA,"PDBC03815","666385","Present",NA,NA
+"3816","(1S,5S,8R,9S,11S,12R)-1,12-Dihydroxy-5,9,12-trimethyl-11-(2-methylprop-1-enyl)-2-oxatricyclo[6.4.1.04,13]tridec-4(13)-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,5S,8R,9S,11S,12R)-1,12-Dihydroxy-5,9,12-trimethyl-11-(2-methylprop-1-enyl)-2-oxatricyclo[6.4.1.04,13]tridec-4(13)-en-3-one",NA,"CC1CCC2C(CC(C(C3(C2=C1C(=O)O3)O)(C)O)C=C(C)C)C","MPBLUBDRLXELAD-MJYPGYOBSA-N",54612670,NA,"PDBC03816","734919","Present",NA,NA
+"3817","(1S,6S,8As)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,6S,8As)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalene-1,6-diol",NA,"CC12CCC(CC1CCCC2O)O","MPZJXFSZLAPMGN-KQFSYOIOSA-N",6711344,NA,"PDBC03817","620555","Present",NA,NA
+"3818","(1S,7Ar)-7-methoxy-6-methyl-1-phenylspiro[1,7a-dihydropyrrolo[1,2-c][1,3]oxazole-3,4'-cyclohexa-2,5-diene]-1',5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'S,7a'R)-7'-methoxy-6'-methyl-1'-phenyl-1'H-spiro[cycl...",NA,"CC1=C(C2C(OC3(N2C1=O)C=CC(=O)C=C3)C4=CC=CC=C4)OC","BYMYFBAETFNIPY-RDJZCZTQSA-N",155811869,NA,"PDBC03818","780901","Present",NA,NA
+"3819","(1S,7R,11R)-1,8,11-Trimethyl-10-methylidene-4-phenyl-11-[(2S)-thiolan-2-yl]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,7R,11R)-1,8,11-Trimethyl-10-methylidene-4-phenyl-11-[(2S)-thiolan-2-yl]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione",NA,"CC1=CC2(C(=C)C(C1N3N2C(=O)N(C3=O)C4=CC=CC=C4)(C)C5CCCS5)C","TXTMIJWSWZUDTG-UDKICSLYSA-N",397871,NA,"PDBC03819","706495","Present",NA,NA
+"3820","(1S,7R,9R,10S,12S,14S)-7-Methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,7R,9R,10S,12S,14S)-7-Methoxy-4,9,14-trimethyl-6,11,15-trioxapentacyclo[8.5.0.01,14.03,7.010,12]pentadec-3-en-5-one",NA,"CC1CC2(C(=C(C(=O)O2)C)CC34C15C(O5)CC3(O4)C)OC","QHRGWKWECSOVCO-GADBJVALSA-N",389711,NA,"PDBC03820","686291","Present",NA,NA
+"3821","(1S,8R,9S)-8-[[3-[[(1S,8R,9S)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,8R,9S)-8-[[3-[[(1S,8R,9S)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-t",NA,"CC1(C2CC1C3=CN=C(C=C3C2CC4=CC(=CC=C4)CC5C6CC(C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C","BKBCQMDTIWHCSA-BPUVTEHRSA-N",6712471,NA,"PDBC03821","690441","Present",NA,NA
+"3822","(1S,8S)-11,33-Bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-2,7,17,27-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,8S)-11,33-Bis(cyclopropylmethyl)-19,25-dioxa-11,22,33-triazaundecacyclo[24.9.1.18,14.01,24.02,32.04,23.05,21.07,12.08,20.030,36.018,37]heptatriaconta-4(23),5(21),14(37),15,17,26,28,30(36)-octaene-",NA,"C1CC1CN2CCC34C5C6=C(CC3(C2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C9C12CCN(C(C1(C8)O)CC1=C2C(=C(C=C1)O)O9)CC1CC1","APSUXPSYBJVPPS-WWIGWNOJSA-N",398101,NA,"PDBC03822","707466","Present",NA,NA
+"3823","(1S,9E,13R,14R)-4,9,13-Trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-13-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,9E,13R,14R)-4,9,13-Trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-13-ol",NA,"CC1=CCCC(C2CC(CCC3(C(O3)CC1)C)C(=C)CO2)(C)O","YHNMCCUZIVINBV-AZIOPETGSA-N",24205017,NA,"PDBC03823","733975","Present",NA,NA
+"3824","(1S,9E,13R,14S)-4,9,13-Trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,9E,13R,14S)-4,9,13-Trimethyl-17-methylidene-5,15-dioxatricyclo[12.3.1.04,6]octadec-9-en-16-one",NA,"CC1CCC=C(CCC2C(O2)(CCC3CC1OC(=O)C3=C)C)C","CBTAIMAIKPTRHT-NFCNRZIQSA-N",24204491,NA,"PDBC03824","732060","Present",NA,NA
+"3825","(1S,9R)-3,13-Dihydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,9R)-3,13-Dihydroxy-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,10,13-pentaen-12-one",NA,"CN1CCC23C=C(C(=O)C=C2C1CC4=C3C(=C(C=C4)OC)O)O","ZWQASBQIJWESEN-XIKOKIGWSA-N",6711280,NA,"PDBC03825","611268","Present",NA,NA
+"3826","(1S,9R)-N,1,16-Trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,9R)-N,1,16-Trimethyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaen-4-amine",NA,"CC12C3=CC=CC=C3C(N1C)CC4=C2C=C(C=C4)NC","HSNWLFCNURQKRT-QZTJIDSGSA-N",6712747,NA,"PDBC03826","708853","Present",NA,NA
+"3827","(1S,9S)-8-[[2-[[(1S,8R,9S)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Methanoisoquinoline, 5,5'-(1,2-phenylenebismethyl)bi...",NA,"CC1(C2CC1C3=CN=C(C=C3C2CC4=CC=CC=C4CC5C6CC(C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C","ZGRRJKFUEWVBDQ-UDCMKDCESA-N",6712410,NA,"PDBC03827","681463","Present",NA,NA
+"3828","(1S,9S)-8-[[3-[[(1S,8R,9S)-10,10-Dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-trien-8-yl]methyl]phenyl]methyl]-10,10-dimethyl-5-pyridin-2-yl-4-azatricyclo[7.1.1.02,7]undeca-2,4,6-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Methanoisoquinoline, 5,5'-(1,3-phenylenedimethyene) ...",NA,"CC1(C2CC1C3=CN=C(C=C3C2CC4=CC(=CC=C4)CC5C6CC(C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C","BKBCQMDTIWHCSA-UDCMKDCESA-N",6712409,NA,"PDBC03828","681462","Present",NA,NA
+"3829","(1Z)-1-(1-Acetyl-2-hydroxy-2H-indol-3-ylidene)propan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-1-(1-Acetyl-2-hydroxy-2H-indol-3-ylidene)propan-2-one",NA,"CC(=O)C=C1C(N(C2=CC=CC=C21)C(=O)C)O","QMZSBQCLZJCUDK-XFFZJAGNSA-N",5387215,NA,"PDBC03829","621860","Present",NA,NA
+"3830","(1Z)-1-(1-Acetyl-2-methoxy-2H-indol-3-ylidene)propan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-1-(1-Acetyl-2-methoxy-2H-indol-3-ylidene)propan-2-one",NA,"CC(=O)C=C1C(N(C2=CC=CC=C21)C(=O)C)OC","QNRGEYUNYRZINQ-WQLSENKSSA-N",5387216,NA,"PDBC03830","621861","Present",NA,NA
+"3831","(1Z)-1-(10-Methyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,10-pentaen-12-ylidene)hexan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-1-(10-Methyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,10-pentaen-12-ylidene)hexan-2-one",NA,"CCCCC(=O)C=C1C=C(NC2=CC=CC3=C2N1N=C3)C","CUXLXOSXQKMOAH-UVTDQMKNSA-N",5471036,NA,"PDBC03831","707689","Present",NA,NA
+"3832","(1Z)-1-[(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethylamino)methylene]-7-[(8Z)-8-[(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)methylene]-6-hydroxy-5-isopropyl-3-methyl-7-oxo-2-naphthyl]-3-hydroxy-4-isopropyl-6-methyl-naphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyliminomethyl)-7-[8-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyliminomethyl)-6,7-dihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-6-methyl-4",NA,"CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=C4C=NCC5CCCN6C5CCCC6)O)O)C(C)C)C(=C(C(=C2C(C)C)O)O)C=NCC7CCCN8C7CCCC8","CUTKZUMSJFQCHY-UHFFFAOYSA-N",393993,NA,"PDBC03832","697096","Present",NA,NA
+"3833","(1Z)-1-[(Acridin-9-ylamino)methylene]-7-[(8Z)-8-[(acridin-9-ylamino)methylene]-6-hydroxy-5-isopropyl-3-methyl-7-oxo-2-naphthyl]-3-hydroxy-4-isopropyl-6-methyl-naphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-1-[(Acridin-9-ylamino)methylidene]-7-[(8Z)-8-[(acridin-9-ylamino)methylidene]-6-hydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one",NA,"CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=O)C4=CNC5=C6C=CC=CC6=NC7=CC=CC=C75)O)C(C)C)C(=CNC8=C9C=CC=CC9=NC1=CC=CC=C18)C(=O)C(=C2C(C)C)O","HGAWWVKBUOVZAC-IOCOXZLVSA-N",5470045,NA,"PDBC03833","697099","Present",NA,NA
+"3834","(1Z)-1-[5-(4-Chloroanilino)-11-[(3Z)-5-(4-chloroanilino)-3-[(4-chlorophenyl)carbamothioylimino]-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-ylidene]-3-(4-chlorophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-1-[5-(4-Chloroanilino)-11-[(3Z)-5-(4-chloroanilino)-3-[(4-chlorophenyl)carbamothioylimino]-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-11-yl]-4,8-dithia-6,11-diazatricyclo[",NA,"C1CN(CC2=C1C3=C(S2)N=C(SC3=NC(=S)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)Cl)N6CCC7=C(C6)SC8=C7C(=NC(=S)NC9=CC=C(C=C9)Cl)SC(=N8)NC1=CC=C(C=C1)Cl","ONEGFEVVZAKQMU-IJDKBALUSA-N",9572140,NA,"PDBC03834","704849","Present",NA,NA
+"3835","(1Z)-1-[[(5-Aminonaphthalen-1-yl)amino]methylidene]-7-[(8Z)-8-[[(5-aminonaphthalen-1-yl)amino]methylidene]-6-hydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3-hydroxy-6-methyl-4-propan-2-ylnaphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-1-[[(5-Aminonaphthalen-1-yl)amino]methylidene]-7-[(8Z)-8-[[(5-aminonaphthalen-1-yl)amino]methylidene]-6-hydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3-hydroxy-6-methyl-4-propan-2-ylnaphth",NA,"CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=O)C4=CNC5=CC=CC6=C5C=CC=C6N)O)C(C)C)C(=CNC7=CC=CC8=C7C=CC=C8N)C(=O)C(=C2C(C)C)O","LVLUIRKIYAGJMP-XCKRHRGHSA-N",5470081,NA,"PDBC03835","697483","Present",NA,NA
+"3836","(1Z)-12-Methylidene-1-(3-methylsulfanylpropylsulfanyl)cyclododecene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666411",NA,"CSCCCSC1=CCCCCCCCCCC1=C","IJRWYEZCWZCGKD-LGMDPLHJSA-N",5468237,NA,"PDBC03836","666411","Present",NA,NA
+"3837","(1Z)-2-(Methylamino)-N-(4-methylphenyl)sulfonylethanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylamino)-N-((4-methylphenyl)sulfonyl)ethanimidoyl chloride",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=C(CNC)Cl","KPTLQKCMVDTPPR-RAXLEYEMSA-N",6154624,NA,"PDBC03837","193457","Present",NA,NA
+"3838","(1Z)-3,4,4-Trichloro-N,N-diethyl-2-nitro-1-phenylsulfanylbuta-1,3-dien-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-3,4,4-Trichloro-N,N-diethyl-2-nitro-1-phenylsulfanylbuta-1,3-dien-1-amine",NA,"CCN(CC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC1=CC=CC=C1","BSSHFVDKNXCJFP-OWBHPGMISA-N",1550445,NA,"PDBC03838","678030","Present",NA,NA
+"3839","(1Z)-3-Hydroxy-7-[(8Z)-6-hydroxy-5-isopropyl-3-methyl-7-oxo-8-[(2-pyridylamino)methylene]-2-naphthyl]-4-isopropyl-6-methyl-1-[(2-pyridylamino)methylene]naphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-3-Hydroxy-7-[(8Z)-6-hydroxy-3-methyl-7-oxo-5-propan-2-yl-8-[(pyridin-2-ylamino)methylidene]naphthalen-2-yl]-6-methyl-4-propan-2-yl-1-[(pyridin-2-ylamino)methylidene]naphthalen-2-one",NA,"CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=O)C4=CNC5=CC=CC=N5)O)C(C)C)C(=CNC6=CC=CC=N6)C(=O)C(=C2C(C)C)O","LFSUEEBUCHJGCP-CDSIFPFTSA-N",5470043,NA,"PDBC03839","697097","Present",NA,NA
+"3840","(1Z)-3-Hydroxy-7-[(8Z)-6-hydroxy-5-isopropyl-3-methyl-7-oxo-8-[[(4-phenylthiazol-2-yl)amino]methylene]-2-naphthyl]-4-isopropyl-6-methyl-1-[[(4-phenylthiazol-2-yl)amino]methylene]naphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-3-Hydroxy-7-[(8Z)-6-hydroxy-3-methyl-7-oxo-8-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]-5-propan-2-ylnaphthalen-2-yl]-6-methyl-1-[[(4-phenyl-1,3-thiazol-2-yl)amino]methylidene]-4-propan-2-yl",NA,"CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=O)C4=CNC5=NC(=CS5)C6=CC=CC=C6)O)C(C)C)C(=CNC7=NC(=CS7)C8=CC=CC=C8)C(=O)C(=C2C(C)C)O","QAOFWIHZANZHPL-HLQQZESDSA-N",6400003,NA,"PDBC03840","697098","Present",NA,NA
+"3841","(1Z)-4-Tert-butyl-1-[(2Z)-2-(4-tert-butyl-3,5-dioxo-4-aza-1-azonia-2-azanidacyclopent-1-ylidene)-1,2-diphenyl-ethylidene]-4-aza-1-azonia-2-azanidacyclopentane-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-1-[(E)-2-(4-tert-butyl-3,5-dioxo-1,2,4-triazol-1-ium-1-yl)-1,2-diphenylethenyl]-5-oxo-1,2,4-triazol-3-olate",NA,"CC(C)(C)N1C(=NN(C1=O)C(=C(C2=CC=CC=C2)[N+]3=NC(=O)N(C3=O)C(C)(C)C)C4=CC=CC=C4)[O-]","TZEACJLEMOQVNK-FMQUCBEESA-N",5466446,NA,"PDBC03841","691595","Present",NA,NA
+"3842","(1Z)-N-Acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-2-bromopropanimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-N-Acenaphthyleno[2,1-b]quinoxalin-7-ium-7-yl-2-bromopropanimidate",NA,NA,NA,NA,NA,"PDBC03842","676859","Present",NA,NA
+"3843","(1Z,2E)-N'~1~,N'~2~-Bis[(Z)-(3-nitrophenyl)methylidene]ethanedihydrazonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z,2E)-N'~1~,N'~2~-Bis[(Z)-(3-nitrophenyl)methylidene]ethanedihydrazonamide",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=NN=C(C(=NN=CC2=CC(=CC=C2)[N+](=O)[O-])N)N","CSHXMCLBPGZPCS-QJUDHZBZSA-N",54609617,NA,"PDBC03843","46698","Present",NA,NA
+"3844","(1Z,3E)-4-(Benzotriazol-1-yl)-1,2-dichloro-N'-(4-ethoxyphenyl)-3-nitro-N-phenylbuta-1,3-diene-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z,3E)-4-(Benzotriazol-1-yl)-1,2-dichloro-N'-(4-ethoxyphenyl)-3-nitro-N-phenylbuta-1,3-diene-1,4-diamine",NA,"CCOC1=CC=C(C=C1)NC(=C(C(=C(NC2=CC=CC=C2)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3","UIFQQYNVFNLUKJ-MBALSZOMSA-N",5470207,NA,"PDBC03844","698390","Present",NA,NA
+"3845","(1Z,3E)-N-(2-Aminoethyl)-4-(benzotriazol-1-yl)-1,2-dichloro-N'-(4-ethoxyphenyl)-3-nitrobuta-1,3-diene-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z,3E)-N-(2-Aminoethyl)-4-(benzotriazol-1-yl)-1,2-dichloro-N'-(4-ethoxyphenyl)-3-nitrobuta-1,3-diene-1,4-diamine",NA,"CCOC1=CC=C(C=C1)NC(=C(C(=C(NCCN)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","UKVFYPDFKHLLBP-XPWSMXQVSA-N",5470202,NA,"PDBC03845","698381","Present",NA,NA
+"3846","(1Z,3Z,5Z,7Z)-1,5-Diphenyl-3,7-bis[4-(trifluoromethyl)phenyl]-1$l^{4},5$l^{4}-dithia-2,4,6,8-tetrazacycloocta-1,3,5,7-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,7Z)-1,5-Diphenyl-3,7-bis[4-(trifluoromethyl)phenyl]-1lambda4,5lambda4-dithia-2,4,6,8-tetrazacycloocta-1,3,5,7-tetraene",NA,"C1=CC=C(C=C1)S2=NC(=NS(=NC(=N2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CC=C4)C5=CC=C(C=C5)C(F)(F)F","HOSMOZJNHHEKAS-INEDAAGTSA-N",9571633,NA,"PDBC03846","692652","Present",NA,NA
+"3847","(1Z,4E)-1,5-Bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z,4E)-1,5-Bis(5-bromo-2-hydroxyphenyl)penta-1,4-dien-3-one",NA,"C1=CC(=C(C=C1Br)C=CC(=O)C=CC2=C(C=CC(=C2)Br)O)O","GHQJYKKGXCSWOF-SOSXVSKCSA-N",54603154,NA,"PDBC03847","4582","Present",NA,NA
+"3848","(2'R,3R)-2'-(2-Pyridinyl)spiro[3H-indole-3,1'-cyclopropan]-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2'R,3R)-2'-Pyridin-2-ylspiro[1H-indole-3,1'-cyclopropane]-2-one",NA,"C1C(C12C3=CC=CC=C3NC2=O)C4=CC=CC=N4","ZCZVSRKERIIHOL-NHYWBVRUSA-N",396463,NA,"PDBC03848","702437","Present",NA,NA
+"3849","(2'R,3Z,4'Ar,6'S,8R,8'aS)-6'-methoxy-2'-phenylspiro[2,5,6,7-tetrahydrooxocine-8,7'-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2'R,3Z,4'Ar,6'S,8R,8'aS)-6'-methoxy-2'-phenylspiro[2,5,6,7-tetrahydrooxocine-8,7'-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxine]",NA,"COC1C2(CCCC=CCO2)CC3C(O1)COC(O3)C4=CC=CC=C4","ROOKXJQFOVUOKG-SVDNYSCRSA-N",5471917,NA,"PDBC03849","715406","Present",NA,NA
+"3850","(2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl)methyl butanoate (non-preferred name)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4-di-O-isopropylidene-.alpha.-D-galactose 6-O-buty...",NA,"CCCC(=O)OCC1C2C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C","QCOXYZFUHMUEIC-UHFFFAOYSA-N",364052,NA,"PDBC03850","629691","Present",NA,NA
+"3851","(2,2-Dibromo-1,1-dimethoxyethyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-dibromo-2,2-dimethoxy-2-phenylethane",NA,"COC(C1=CC=CC=C1)(C(Br)Br)OC","WPOLJTXVJCRRKU-UHFFFAOYSA-N",380476,NA,"PDBC03851","666074","Present",NA,NA
+"3852","(2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl-triphenyl-stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-4-((triphenylstannyl)methyl)-1,3,2-dioxastannolane",NA,"CCCC[Sn]1(OCC(O1)C[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCCC","NMDHJVKGHNGJLN-UHFFFAOYSA-N",16683178,NA,"PDBC03852","633513","Present",NA,NA
+"3853","(2,2-Diiodo-1,1-dimethoxyethyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-diiodo-2,2-dimethoxy-2-phenylethane",NA,"COC(C1=CC=CC=C1)(C(I)I)OC","LRZOAPVOZRNSRW-UHFFFAOYSA-N",380477,NA,"PDBC03853","666075","Present",NA,NA
+"3854","(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 2-diazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]ethenolate",NA,"CC1(OCC(O1)COC(=O)C=[N+]=[N-])C","GSLNKZGGVBLVKW-UHFFFAOYSA-N",386728,NA,"PDBC03854","679276","Present",NA,NA
+"3855","(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl N-[(4-phenyltriazol-1-yl)methyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl N-[(4-phenyltriazol-1-yl)methyl]carbamate",NA,"CC1(OCC(O1)COC(=O)NCN2C=C(N=N2)C3=CC=CC=C3)C","VUCROCAHMGVTQA-UHFFFAOYSA-N",386631,NA,"PDBC03855","679085","Present",NA,NA
+"3856","(2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)methyl 2-chlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)methyl 2-chlorobenzoate",NA,"CC(=CC1C(C1(C)C)COC(=O)C2=CC=CC=C2Cl)C","MGRJCCWBLNKZOA-UHFFFAOYSA-N",233182,NA,"PDBC03856","31321","Present",NA,NA
+"3857","(2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)methyl 6-chloro-1,3-benzodioxole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,2-Dimethyl-3-(2-methyl-1-propenyl)cyclopropyl)methyl 6-chloro-1,3-benzodioxole-5-carboxylate",NA,"CC(=CC1C(C1(C)C)COC(=O)C2=CC3=C(C=C2Cl)OCO3)C","AXLBVVLIPLJARG-UHFFFAOYSA-N",233165,NA,"PDBC03857","31303","Present",NA,NA
+"3858","(2,2-Dimethyl-3H-furo[3,2-h]quinolin-5-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,2-Dimethyl-3H-furo[3,2-h]quinolin-5-yl) acetate",NA,"CC(=O)OC1=C2C=CC=NC2=C3C(=C1)CC(O3)(C)C","CZUJBHYKEBSVRK-UHFFFAOYSA-N",391577,NA,"PDBC03858","691032","Present",NA,NA
+"3859","(2,2-Dimethyl-4-purin-9-yl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-6-yl)methyl sulfamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purine, 9-(4-thio-.beta.-D-ribofuranosyl)-, 2',3'-O-i...",NA,"CC1(OC2C(SC(C2O1)N3C=NC4=CN=CN=C43)COS(=O)(=O)N)C","WNGHOTIWTWOLFW-UHFFFAOYSA-N",155813374,NA,"PDBC03859","784614","Present",NA,NA
+"3860","(2,2-Dimethyl-5-((4-methylphenyl)sulfonyl)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,2-Dimethyl-5-((4-methylphenyl)sulfonyl)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrol-4-yl)methanol",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2CO)OC(O3)(C)C","FZCROSZKQLEXNC-UHFFFAOYSA-N",391524,NA,"PDBC03860","690772","Present",NA,NA
+"3861","(2,2-Diphenylcyclopropyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,2-Diphenylcyclopropyl)(phenyl)methanone",NA,"C1C(C1(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","GYTPBSLINYNTSG-UHFFFAOYSA-N",274403,NA,"PDBC03861","120439","Present",NA,NA
+"3862","(2,3,4,5,6-Pentachlorophenyl) 2-(benzylamino)acetate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3,4,5,6-Pentachlorophenyl) 2-(benzylamino)acetate;hydrochloride",NA,"C1=CC=C(C=C1)CNCC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl.Cl","PPIWXSSVIMCKRV-UHFFFAOYSA-N",24192993,NA,"PDBC03862","145673","Present",NA,NA
+"3863","(2,3,4,5,6-Pentachlorophenyl) 2-[[2-[2-(tert-butoxycarbonylamino)propanoylamino]-3-phenyl-propanoyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3,4,5,6-Pentachlorophenyl) 2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenylpropanoyl]amino]acetate",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)NC(=O)OC(C)(C)C","GOZCYBJCSFBIQE-UHFFFAOYSA-N",381730,NA,"PDBC03863","668590","Present",NA,NA
+"3864","(2,3,4,5,6-Pentachlorophenyl) 2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3,4,5,6-Pentachlorophenyl) 2-[[3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]butanoyl]amino]propanoate",NA,"CC(C)C(C(=O)NC(C)C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)NC(=O)CNC(=O)OC(C)(C)C","WJSFOLFLEVEQCD-UHFFFAOYSA-N",381815,NA,"PDBC03864","668888","Present",NA,NA
+"3865","(2,3,4,5,6-Pentachlorophenyl) 3-benzyloxy-2-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3,4,5,6-Pentachlorophenyl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-3-phenylmethoxypropanoate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(COCC3=CC=CC=C3)C(=O)OC4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)Cl","ILRKFJFWOVWROO-UHFFFAOYSA-N",381810,NA,"PDBC03865","668884","Present",NA,NA
+"3866","(2,3,4,5,6-Pentamethylphenyl)methyl carbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3,4,5,6-Pentamethylphenyl)methyl carbamimidothioate;hydrochloride",NA,"CC1=C(C(=C(C(=C1C)C)CSC(=N)N)C)C.Cl","VZTRCPJQAACHBH-UHFFFAOYSA-N",24195148,NA,"PDBC03866","176408","Present",NA,NA
+"3867","(2,3,4,5-Tetrahydroxy-6-oxohexyl) N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-5-oxododecyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3,4,5-Tetrahydroxy-6-oxohexyl) N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-5-oxododecyl)carbamate",NA,"C(CCNC(=O)OCC(C(C(C(C=O)O)O)O)O)CC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","HAARTXNVCNJHHR-UHFFFAOYSA-N",381248,NA,"PDBC03867","667653","Present",NA,NA
+"3868","(2,3,4-trihydroxy-benzylidene-hydrazinocarbonylmethylsul...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3,4-trihydroxy-benzylidene-hydrazinocarbonylmethylsul...",NA,"C1=CC(=C(C(=C1C=NNC(=O)CSCC(=O)NN=CC2=C(C(=C(C=C2)O)O)O)O)O)O","JZCWAIMSRVCZJM-FDWQPRGYSA-N",135436442,NA,"PDBC03868","724062","Present",NA,NA
+"3869","(2,3,8,9-Tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3,8,9-Tetramethoxy-5,6-dimethyl-6H-benzo[c]phenanthridin-11-yl) acetate",NA,"CC1C2=CC(=C(C=C2C3=C(N1C)C4=CC(=C(C=C4C=C3OC(=O)C)OC)OC)OC)OC","XJWYPZIESLCUIY-UHFFFAOYSA-N",5191582,NA,"PDBC03869","379965","Present",NA,NA
+"3870","(2,3-Dibenzyloxyphenyl)-(2-thioxothiazolidin-3-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3-Dibenzyloxyphenyl)-(2-thioxothiazolidin-3-yl)methanone",NA,"C1CSC(=S)N1C(=O)C2=C(C(=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","LECYDRFNRQJMPW-UHFFFAOYSA-N",391978,NA,"PDBC03870","691700","Present",NA,NA
+"3871","(2,3-Dihydroxyphenyl)-[1-[(4-fluorophenyl)methyl]-4-hydroxyindol-3-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3-Dihydroxyphenyl)-[1-[(4-fluorophenyl)methyl]-4-hydroxyindol-3-yl]methanone",NA,"C1=CC(=C(C(=C1)O)O)C(=O)C2=CN(C3=C2C(=CC=C3)O)CC4=CC=C(C=C4)F","XEMXFCLWYOSALC-UHFFFAOYSA-N",42624812,NA,"PDBC03871","746053","Present",NA,NA
+"3872","(2,3-Dimethyl-1,3-oxazolidin-2-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3-Dimethyl-1,3-oxazolidin-2-yl)methanol",NA,"CC1(N(CCO1)C)CO","YHOHBJSXXACKHY-UHFFFAOYSA-N",388443,NA,"PDBC03872","683369","Present",NA,NA
+"3873","(2,3-Dimethyl-5,10-dioxobenzo[g]quinoxalin-7-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,3-Dimethyl-5,10-dioxobenzo[g]quinoxalin-7-yl) acetate",NA,"CC1=C(N=C2C(=N1)C(=O)C3=C(C2=O)C=C(C=C3)OC(=O)C)C","QRMRECWTGQHTST-UHFFFAOYSA-N",334272,NA,"PDBC03873","338697","Present",NA,NA
+"3874","(2,3-Diphenylcycloprop-2-en-1-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3-Diphenylcycloprop-2-en-1-yl)urea",NA,"C1=CC=C(C=C1)C2=C(C2NC(=O)N)C3=CC=CC=C3","UVBYXRGXXAQUFT-UHFFFAOYSA-N",272896,NA,"PDBC03874","117619","Present",NA,NA
+"3875","(2,4,6-Trichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4,6-Trichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,"C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)NC3=CC(=NC=C3)C(F)(F)F","SHZLSISLZMITNJ-UHFFFAOYSA-N",11648315,NA,"PDBC03875","731824","Present",NA,NA
+"3876","(2,4,6-Trichlorophenyl) N-(2-oxo-2-phenothiazin-10-ylethyl)-2-(N-phenylanilino)ethanimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4,6-Trichlorophenyl) N-(2-oxo-2-phenothiazin-10-ylethyl)-2-(N-phenylanilino)ethanimidate",NA,"C1=CC=C(C=C1)N(CC(=NCC(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OC5=C(C=C(C=C5Cl)Cl)Cl)C6=CC=CC=C6","XFPBZCOBDIWFAT-UHFFFAOYSA-N",377191,NA,"PDBC03876","658418","Present",NA,NA
+"3877","(2,4,6-Trichlorophenyl) N-[2-(benzimidazol-1-yl)-2-oxoethyl]-2-(N-phenylanilino)ethanimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4,6-Trichlorophenyl) N-[2-(benzimidazol-1-yl)-2-oxoethyl]-2-(N-phenylanilino)ethanimidate",NA,"C1=CC=C(C=C1)N(CC(=NCC(=O)N2C=NC3=CC=CC=C32)OC4=C(C=C(C=C4Cl)Cl)Cl)C5=CC=CC=C5","MIDPYBCJCHFBHB-UHFFFAOYSA-N",377190,NA,"PDBC03877","658417","Present",NA,NA
+"3878","(2,4,6-Trinitrophenyl) N-(2-oxo-2-piperazin-1-ylethyl)-2-(N-phenylanilino)ethanimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4,6-Trinitrophenyl) N-(2-oxo-2-piperazin-1-ylethyl)-2-(N-phenylanilino)ethanimidate",NA,"C1CN(CCN1)C(=O)CN=C(CN(C2=CC=CC=C2)C3=CC=CC=C3)OC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","DIINZOMFOFSCAM-UHFFFAOYSA-N",377189,NA,"PDBC03878","658416","Present",NA,NA
+"3879","(2,4,7-Trimethyl-1H-indol-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-007622",NA,"CC1=C2C(=C(NC2=C(C=C1)C)C)CC(=O)O","FOYXJMABOXFXKS-UHFFFAOYSA-N",228480,NA,"PDBC03879","21434","Present",NA,NA
+"3880","(2,4-Dichloro-5-fluorophenyl)-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4-Dichloro-5-fluorophenyl)-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)methanone",NA,"C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)C3=CC(=C(C=C3Cl)Cl)F)C4=CC=CC=C4","HFQGDLMMEILXBS-UHFFFAOYSA-N",45027936,NA,"PDBC03880","740231","Present",NA,NA
+"3881","(2,4-Dichloro-5-methylphenoxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4-Dichloro-5-methylphenoxy)acetic acid",NA,"CC1=CC(=C(C=C1Cl)Cl)OCC(=O)O","JIPVYKRMJQZZLF-UHFFFAOYSA-N",232693,NA,"PDBC03881","30534","Present",NA,NA
+"3882","(2,4-Dichlorobenzyl)triphenylphosphonium Chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-dichlorobenzyltriphenylphosphonium chloride",NA,"C1=CC=C(C=C1)[P+](CC2=C(C=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","FWBSWSPGFNAXPP-UHFFFAOYSA-M",196999,NA,"PDBC03882","110363","Present",NA,NA
+"3883","(2,4-Dichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4-Dichlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,"C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)Cl)Cl)NC3=CC(=NC=C3)C(F)(F)F","ZKSGADBLRQHPTK-UHFFFAOYSA-N",11546395,NA,"PDBC03883","731820","Present",NA,NA
+"3884","(2,4-Dichlorophenyl) N-(2-imidazol-1-yl-2-oxoethyl)-2-(N-phenylanilino)ethanimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4-Dichlorophenyl) N-(2-imidazol-1-yl-2-oxoethyl)-2-(N-phenylanilino)ethanimidate",NA,"C1=CC=C(C=C1)N(CC(=NCC(=O)N2C=CN=C2)OC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4","PBNYSNQOWRPETI-UHFFFAOYSA-N",377192,NA,"PDBC03884","658419","Present",NA,NA
+"3885","(2,4-Dichlorophenyl)(3-oxo-1,3-dihydro-2-benzofuran-1-yl)methyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4-Dichlorophenyl)(3-oxo-1,3-dihydro-2-benzofuran-1-yl)methyl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC(C2C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)Cl)Cl","SIEHHOUPNOKFPY-UHFFFAOYSA-N",376208,NA,"PDBC03885","656746","Present",NA,NA
+"3886","(2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4-Dichlorophenyl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol",NA,"C1=CC(=C(C=C1Cl)Cl)CSC(=N)N.C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])O)Cl","VYAQZAAUDLMLEH-UHFFFAOYSA-N",234810,NA,"PDBC03886","35400","Present",NA,NA
+"3887","(2,4-Difluoro-benzylidene)-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4-difluoro-benzylidene-hydrazinocarbonylmethylsulfany...",NA,"C1=CC(=C(C=C1F)F)C=NNC(=O)CSCC(=O)NN=CC2=C(C=C(C=C2)F)F","SSHRGHTUXIMYAH-YLSUZJBISA-N",9572670,NA,"PDBC03887","724066","Present",NA,NA
+"3888","(2,4-Dimethoxyphenyl)(4-methoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_005563",NA,"COC1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)OC)OC","VFTDVICZBGDMMB-UHFFFAOYSA-N",254174,NA,"PDBC03888","78015","Present",NA,NA
+"3889","(2,4-Dimethoxyphenyl)-phenothiazin-10-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780556",NA,"COC1=CC(=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)OC","RHZQEHJCZKAKBR-UHFFFAOYSA-N",3478672,NA,"PDBC03889","780556","Present",NA,NA
+"3890","(2,4-Dimethyl-1,5-benzoxazepin-3-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(e)-(2,4-Dimethyl-1,5-benzoxazepin-3-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene",NA,"CC1=C(C(=NC2=CC=CC=C2O1)C)N=NC3=CC4=C(C=C3)N=C(N4)C","XXAMRWRZTUSBGB-UHFFFAOYSA-N",396641,NA,"PDBC03890","703140","Present",NA,NA
+"3891","(2,4-Dinitrophenyl)methyl carbamimidothioate;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4-Dinitrophenyl)methyl carbamimidothioate;chloride",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CSC(=N)N.[Cl-]","RUUXKEMQCXREMP-UHFFFAOYSA-M",24183838,NA,"PDBC03891","30637","Present",NA,NA
+"3892","(2,4-Dioxo-5-phenyl-1,3-oxazolidin-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,4-Dioxo-5-phenyl-1,3-oxazolidin-3-yl)acetic acid",NA,"C1=CC=C(C=C1)C2C(=O)N(C(=O)O2)CC(=O)O","BOCMLQYREYMDBY-UHFFFAOYSA-N",272750,NA,"PDBC03892","117438","Present",NA,NA
+"3893","(2,5-Diethoxyphenyl)-triphenylphosphanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625145",NA,"CCOC1=CC(=C(C=C1)OCC)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]","PJEHWLASKGNWAY-UHFFFAOYSA-M",361827,NA,"PDBC03893","625145","Present",NA,NA
+"3894","(2,5-Dihydroxyphenyl)(2-methylphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dihydroxyphenyl)(2-methylphenyl)methanone",NA,"CC1=CC=CC=C1C(=O)C2=C(C=CC(=C2)O)O","WKOYCFOVGWYSII-UHFFFAOYSA-N",358269,NA,"PDBC03894","618213","Present",NA,NA
+"3895","(2,5-Dihydroxyphenyl)-[2-(trichloromethyl)phenyl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dihydroxyphenyl)-[2-(trichloromethyl)phenyl]methanone",NA,"C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)O)O)C(Cl)(Cl)Cl","WGFISCNZKUCWKZ-UHFFFAOYSA-N",358270,NA,"PDBC03895","618214","Present",NA,NA
+"3896","(2,5-Dimethoxybenzyl)(triphenyl)phosphonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672194",NA,"COC1=CC(=C(C=C1)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","OZUNQONRXLKOIP-UHFFFAOYSA-M",383751,NA,"PDBC03896","672194","Present",NA,NA
+"3897","(2,5-Dimethoxybenzylidene)malonic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[(2,5-dimethoxyphenyl)methylidene]propanedioate",NA,"COC1=CC(=C(C=C1)OC)C=C(C(=O)OC)C(=O)OC","YAXXJBRULLGVDN-UHFFFAOYSA-N",358360,NA,"PDBC03897","618326","Present",NA,NA
+"3898","(2,5-Dimethyl-5-phenylhexan-2-yl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LVJSKCGXEVPUCH-UHFFFAOYSA-N",NA,"CC(C)(CCC(C)(C)C1=CC=CC=C1)C2=CC=CC=C2","LVJSKCGXEVPUCH-UHFFFAOYSA-N",316705,NA,"PDBC03898","245053","Present",NA,NA
+"3899","(2,5-Dimethyl-6-ethoxy-tetrahydro-2H-pyran-2-yl)methylenemalononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedinitrile, 2-[(6-ethoxy-2,5-dimethyltetrahydro- 2...",NA,"CCOC1C(CCC(O1)(C)C=C(C#N)C#N)C","IQUJVBXHKPNPIG-UHFFFAOYSA-N",58848,NA,"PDBC03899","663978","Present",NA,NA
+"3900","(2,5-Dimethylphenyl)-(4-methylphenyl)-phenylsulfanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC116692",NA,"CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=C(C=CC(=C3)C)C.[Br-]","CQUALKXYTRAPPR-UHFFFAOYSA-M",24190919,NA,"PDBC03900","116692","Present",NA,NA
+"3901","(2,5-Dioxo-imidazolidin-4-ylmethoxy)-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxo-imidazolidin-4-ylmethoxy)-urea",NA,"C(C1C(=O)NC(=O)N1)ONC(=O)N","OSNXEHYTTNFVIU-UHFFFAOYSA-N",308721,NA,"PDBC03901","210739","Present",NA,NA
+"3902","(2,5-Dioxopyrrolidin-1-yl) 2-(5-benzoyl-2-thienyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) 2-(5-benzoyl-2-thienyl)propanoate",NA,"CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O","LQDBIMGBVIWJJD-UHFFFAOYSA-N",390774,NA,"PDBC03902","688539","Present",NA,NA
+"3903","(2,5-Dioxopyrrolidin-1-yl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate",NA,"CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O","KMZIEIXAIDLKBX-UHFFFAOYSA-N",381797,NA,"PDBC03903","668875","Present",NA,NA
+"3904","(2,5-Dioxopyrrolidin-1-yl) 2-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) 2-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate;hydrochloride",NA,"C1CC(=O)N(C1=O)OC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)OCC3=CC=CC=C3)N.Cl","FXQGITKTHMRKTN-UHFFFAOYSA-N",381801,NA,"PDBC03904","668879","Present",NA,NA
+"3905","(2,5-Dioxopyrrolidin-1-yl) 3-[tert-butoxycarbonyl-[2-(5-isoquinolylsulfonylamino)ethyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) 3-[2-(isoquinolin-5-ylsulfonylamino)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate",NA,"CC(C)(C)OC(=O)N(CCC(=O)ON1C(=O)CCC1=O)CCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3","AUIFYQSJDCTCEG-UHFFFAOYSA-N",381918,NA,"PDBC03905","669170","Present",NA,NA
+"3906","(2,5-Dioxopyrrolidin-1-yl) 6-(benzyloxycarbonylamino)-2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O","QFXRBMMIZJNGDN-UHFFFAOYSA-N",381813,NA,"PDBC03906","668886","Present",NA,NA
+"3907","(2,5-Dioxopyrrolidin-1-yl) 6-(benzyloxycarbonylamino)-2-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)ON4C(=O)CCC4=O","YWQHQTHSSVXTEK-UHFFFAOYSA-N",381795,NA,"PDBC03907","668873","Present",NA,NA
+"3908","(2,5-Dioxopyrrolidin-1-yl) 6-(benzyloxycarbonylamino)-2-[[6-(benzyloxycarbonylamino)-2-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]hexanoyl]amino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexan",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)OCC4=CC=CC=C4)C(=O)ON5C(=O)CCC5=O","PUVDAMYGDZKFNA-UHFFFAOYSA-N",381796,NA,"PDBC03908","668874","Present",NA,NA
+"3909","(2,5-Dioxopyrrolidin-1-yl) 6-amino-2-[[2-[[6-amino-2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) 6-amino-2-[[2-[[6-amino-2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCCN)C(=O)ON3C(=O)CCC3=O","BJOKTIDKDGBLBU-UHFFFAOYSA-N",381799,NA,"PDBC03909","668877","Present",NA,NA
+"3910","(2,5-Dioxopyrrolidin-1-yl) 6-amino-2-[[6-amino-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) 6-amino-2-[[6-amino-2-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoate;hydrochloride",NA,"C1CC(=O)N(C1=O)OC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)N.Cl","KADUFSCZUWDVHG-UHFFFAOYSA-N",381793,NA,"PDBC03910","668872","Present",NA,NA
+"3911","(2,5-Dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) N-prop-2-ynylcarbamate",NA,"C#CCNC(=O)ON1C(=O)CCC1=O","MYMRMWYUCXLDAA-UHFFFAOYSA-N",366402,NA,"PDBC03911","634771","Present",NA,NA
+"3912","(2,5-Diphenylfuran-3,4-diyl)bis(phenylmethanol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Diphenylfuran-3,4-diyl)bis(phenylmethanol)",NA,"C1=CC=C(C=C1)C2=C(C(=C(O2)C3=CC=CC=C3)C(C4=CC=CC=C4)O)C(C5=CC=CC=C5)O","JLPBSURDZWABLC-UHFFFAOYSA-N",363019,NA,"PDBC03912","627563","Present",NA,NA
+"3913","(2,6-Dichlorophenyl)-N,N-di(1,3,4-thiadiazol-2-yl)methanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanediamine, 1-(2,6-dichlorophenyl)-N,N'- bis(1,3,4-t...",NA,"C1=CC(=C(C(=C1)Cl)C(NC2=NN=CS2)NC3=NN=CS3)Cl","CZPVKGRQYZJYFU-UHFFFAOYSA-N",341772,NA,"PDBC03913","375086","Present",NA,NA
+"3914","(2,6-Diisopropylphenoxysulfonyl)carbamic acid 1-(trifluoromethyl)-2,2,2-trifluoroethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,6-Diisopropylphenoxysulfonyl)carbamic acid 1-(trifluoromethyl)-2,2,2-trifluoroethyl ester",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)OS(=O)(=O)NC(=O)OC(C(F)(F)F)C(F)(F)F","JWOBWBDIQGAFHS-UHFFFAOYSA-N",396844,NA,"PDBC03914","703868","Present",NA,NA
+"3915","(2,6-dichlorophenyl)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,6-dichlorophenyl)[?]",NA,"C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=C(C=CC=C5Cl)Cl","IYQCNTPKYKWELS-UHFFFAOYSA-N",388681,NA,"PDBC03915","683700","Present",NA,NA
+"3916","(2,6-difluorophenyl)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,6-difluorophenyl)[?]",NA,"C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=C(C=CC=C5F)F","DTBHBQKQXXBWLM-UHFFFAOYSA-N",388318,NA,"PDBC03916","683050","Present",NA,NA
+"3917","(2-((((Cyclohexylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl cyclohexylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Cyclohexylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate",NA,"CN1C(=C(C2=C1C3=CC=CC=C3C=C2)COC(=O)NC4CCCCC4)COC(=O)NC5CCCCC5","RAMABIKSYWPHEY-UHFFFAOYSA-N",388467,NA,"PDBC03917","683403","Present",NA,NA
+"3918","(2-((((Cyclohexylamino)carbonyl)oxy)methyl)-7-formyl-1-methyl-1H-benzo[g]indol-3-yl)methyl cyclohexylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Cyclohexylcarbamoyloxymethyl)-7-formyl-1-methyl-benzo[g]indol-3-yl]methyl N-cyclohexylcarbamate",NA,"CN1C(=C(C2=C1C3=C(C=C2)C=C(C=C3)C=O)COC(=O)NC4CCCCC4)COC(=O)NC5CCCCC5","BBFYGFUBOXJWSE-UHFFFAOYSA-N",388464,NA,"PDBC03918","683400","Present",NA,NA
+"3919","(2-((((Isopropylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl isopropylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[g]indole-2,3-dimethanol, (1-methylethyl)carbamat...",NA,"CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=CC=CC=C32)C)COC(=O)NC(C)C","LUGOGMLPVSFYFG-UHFFFAOYSA-N",388462,NA,"PDBC03919","683398","Present",NA,NA
+"3920","(2-((((Isopropylamino)carbonyl)oxy)methyl)-1-methyl-1H-thieno[2,3-g]indol-3-yl)methyl isopropylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Isopropylcarbamoyloxymethyl)-1-methyl-thieno[2,3-g]indol-3-yl]methyl N-isopropylcarbamate",NA,"CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=C2C=CS3)C)COC(=O)NC(C)C","QLAOOVNXTROWDF-UHFFFAOYSA-N",395031,NA,"PDBC03920","699193","Present",NA,NA
+"3921","(2-((((Isopropylamino)carbonyl)oxy)methyl)-7-methoxy-1-methyl-1H-benzo[g]indol-3-yl)methyl isopropylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Isopropylcarbamoyloxymethyl)-7-methoxy-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate",NA,"CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=C2C=CC(=C3)OC)C)COC(=O)NC(C)C","WDOHZUOMXMDRRW-UHFFFAOYSA-N",388466,NA,"PDBC03921","683402","Present",NA,NA
+"3922","(2-(((Tert-Butyl(dimethyl)silyl)oxy)methyl)-6-(2-(3-(((tert-butyl(dimethyl)silyl)oxy)methyl)-2-(hydroxy(oxido)amino)phenoxy)ethoxy)phenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-[[3-[2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-nitrophenoxy]ethoxy]-2-nitrophenyl]methoxy]-dimethylsilane",NA,"CC(C)(C)[Si](C)(C)OCC1=C(C(=CC=C1)OCCOC2=CC=CC(=C2[N+](=O)[O-])CO[Si](C)(C)C(C)(C)C)[N+](=O)[O-]","RMDRVEAZXKDCET-UHFFFAOYSA-N",394575,NA,"PDBC03922","698144","Present",NA,NA
+"3923","(2-((1-Adamantylimino)methyl)-4-chlorophenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-((1-Adamantylimino)methyl)-4-chlorophenyl)(hydroxy)azane oxide",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC(=C4)Cl)[N+](=O)[O-]","POCYBPOYRZDDHB-UHFFFAOYSA-N",379709,NA,"PDBC03923","664684","Present",NA,NA
+"3924","(2-((10-((2-Phenoxyethyl)thio)decyl)thio)ethoxy)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-((10-((2-Phenoxyethyl)thio)decyl)thio)ethoxy)benzene",NA,"C1=CC=C(C=C1)OCCSCCCCCCCCCCSCCOC2=CC=CC=C2","CXNICWKWNSZIDO-UHFFFAOYSA-N",371306,NA,"PDBC03924","645380","Present",NA,NA
+"3925","(2-((1H-1,2,3-Benzotriazol-1-ylmethyl)amino)-5-chlorophenyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-((1H-1,2,3-Benzotriazol-1-ylmethyl)amino)-5-chlorophenyl)(phenyl)methanone",NA,"C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NCN3C4=CC=CC=C4N=N3","CVYBQZPOOPSHHE-UHFFFAOYSA-N",374218,NA,"PDBC03925","651708","Present",NA,NA
+"3926","(2-((Dimethylamino)methyl)-4-(trifluoromethyl)phenyl)(diphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-((Dimethylamino)methyl)-4-(trifluoromethyl)phenyl)(diphenyl)methanol",NA,"CN(C)CC1=C(C=CC(=C1)C(F)(F)F)C(C2=CC=CC=C2)(C3=CC=CC=C3)O","ZIJYGZOMZWSARO-UHFFFAOYSA-N",264984,NA,"PDBC03926","100708","Present",NA,NA
+"3927","(2-(1,3-Benzodioxol-5-yl)-2-(tributylstannyl)vinyl)(dimethyl)phenylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(1,3-Benzodioxol-5-yl)-2-(tributylstannyl)vinyl)(dimethyl)phenylsilane",NA,"CCCC[Sn](CCCC)(CCCC)C(=C[Si](C)(C)C1=CC=CC=C1)C2=CC3=C(C=C2)OCO3","OSRAMUCQUMDQML-UHFFFAOYSA-N",5388266,NA,"PDBC03927","634285","Present",NA,NA
+"3928","(2-(1,3-Dithian-5-yl)phenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(1,3-Dithian-5-yl)phenyl)methanol",NA,"C1C(CSCS1)C2=CC=CC=C2CO","LJONFHJZAMXFIF-UHFFFAOYSA-N",374812,NA,"PDBC03928","653149","Present",NA,NA
+"3929","(2-(1-(Hydroxy(oxido)amino)-2,3-dioxo-3-(4-toluidino)propyl)-3-methyl-5-oxocyclopentyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methyl-2-{3-[(4-methylphenyl)amino]-1-nitro-2,3-dioxopropyl}-5-oxocyclopentyl)acetic acid",NA,"CC1CC(=O)C(C1C(C(=O)C(=O)NC2=CC=C(C=C2)C)[N+](=O)[O-])CC(=O)O","KZLHZZIAHWCXEC-UHFFFAOYSA-N",369446,NA,"PDBC03929","641216","Present",NA,NA
+"3930","(2-(2,2-Dibromo-1-methylcyclopropyl)ethyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(2,2-Dibromo-1-methylcyclopropyl)ethyl)benzene",NA,"CC1(CC1(Br)Br)CCC2=CC=CC=C2","KRFOLFHJNKCTMW-UHFFFAOYSA-N",386474,NA,"PDBC03930","678500","Present",NA,NA
+"3931","(2-(2-(2,5-Dimethoxyphenyl)ethyl)phenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(2-(2,5-Dimethoxyphenyl)ethyl)phenyl)acetic acid",NA,"COC1=CC(=C(C=C1)OC)CCC2=CC=CC=C2CC(=O)O","GCCDPRKMKYYIDA-UHFFFAOYSA-N",375807,NA,"PDBC03931","655969","Present",NA,NA
+"3932","(2-(2-(2-Chlorophenyl)ethyl)phenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(2-(2-Chlorophenyl)ethyl)phenyl)acetic acid",NA,"C1=CC=C(C(=C1)CCC2=CC=CC=C2Cl)CC(=O)O","PNXDEQUIQHDPGY-UHFFFAOYSA-N",375811,NA,"PDBC03932","655973","Present",NA,NA
+"3933","(2-(2-(3-Butenyl)-1,3-dioxolan-2-yl)-1-(phenylthio)ethyl)(diphenyl)phosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(2-(3-Butenyl)-1,3-dioxolan-2-yl)-1-(phenylthio)ethyl)(diphenyl)phosphine oxide",NA,"C=CCCC1(OCCO1)CC(P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=CC=C4","IXPNUUDYPSCIGN-UHFFFAOYSA-N",379168,NA,"PDBC03933","663580","Present",NA,NA
+"3934","(2-(2-(4-Methoxyphenyl)ethyl)phenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(2-(4-Methoxyphenyl)ethyl)phenyl)acetic acid",NA,"COC1=CC=C(C=C1)CCC2=CC=CC=C2CC(=O)O","OHVRDRWZUYMFFH-UHFFFAOYSA-N",375810,NA,"PDBC03934","655972","Present",NA,NA
+"3935","(2-(2-Aminothiazol-4-yl)-2-(methoxyimino)acetyl)-(1-(carboxymethyl)-4H-1,4-triazol-1-ium-4-yl)-amide, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetyl)-(1-(car...",NA,"CON=C(C1=CSC(=N1)N)C(=O)[N-][N+]2=CN(N=C2)CC(=O)O.[Na+]","HOULNGGMJPXQLF-ZTXYIFKNSA-N",54611324,NA,"PDBC03935","660852","Present",NA,NA
+"3936","(2-(2-Cyanoethyl)-5-oxido-8-oxo-7-((2-thienylacetyl)amino)-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(2-Cyanoethyl)-5,8-dioxo-7-[(2-thiophen-2-ylacetyl)amino]-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl acetate",NA,"CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)S(=O)C1)CCC#N","KXQOUFACXSICMS-UHFFFAOYSA-N",374144,NA,"PDBC03936","651601","Present",NA,NA
+"3937","(2-(2-Hydroxy-5-oxo-2,5-dihydro-3-furanyl)-3b,6,6,9a-tetramethyltetradecahydrophenanthro[2,1-b]furan-11a(2H)-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(2-Hydroxy-5-oxo-2H-furan-3-yl)-3b,6,6,9a-tetramethyl-2,3,3a,4,5,5a,7,8,9,9b,10,11-dodecahydronaphtho[2,1-e][1]benzofuran-11a-yl]methyl acetate",NA,"CC(=O)OCC12CCC3C4(CCCC(C4CCC3(C1CC(O2)C5=CC(=O)OC5O)C)(C)C)C","VSNRQJCSNGQROZ-UHFFFAOYSA-N",378636,NA,"PDBC03937","661429","Present",NA,NA
+"3938","(2-(3-(2,5-Dimethylanilino)-1-(hydroxy(oxido)amino)-2,3-dioxopropyl)-3-methyl-5-oxocyclopentyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[3-(2,5-Dimethylanilino)-1-nitro-2,3-dioxo-propyl]-3-methyl-5-oxo-cyclopentyl]acetic acid",NA,"CC1CC(=O)C(C1C(C(=O)C(=O)NC2=C(C=CC(=C2)C)C)[N+](=O)[O-])CC(=O)O","UYRYFMRTULQKHF-UHFFFAOYSA-N",369448,NA,"PDBC03938","641218","Present",NA,NA
+"3939","(2-(3-(2-Cyano-6-(hydroxy(oxido)amino)anilino)-1-(hydroxy(oxido)amino)-2,3-dioxopropyl)-3-methyl-5-oxocyclopentyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-{3-[(2-Cyano-6-nitrophenyl)amino]-1-nitro-2,3-dioxopropyl}-3-methyl-5-oxocyclopentyl)acetic acid",NA,"CC1CC(=O)C(C1C(C(=O)C(=O)NC2=C(C=CC=C2[N+](=O)[O-])C#N)[N+](=O)[O-])CC(=O)O","KEHVWXQDJICDJV-UHFFFAOYSA-N",369445,NA,"PDBC03939","641215","Present",NA,NA
+"3940","(2-(3-Anilino-3-oxopropanoyl)hydrazino)(5-((4-bromophenyl)diazenyl)-2-hydroxyphenyl)methylphosphonous acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[2-(3-Anilino-3-oxopropanoyl)hydrazinyl]-[5-[(4-bromophenyl)diazenyl]-2-hydroxyphenyl]methyl]phosphonous acid",NA,"C1=CC=C(C=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)P(O)O","QHDLUUUQPFUOKO-UHFFFAOYSA-N",377948,NA,"PDBC03940","659616","Present",NA,NA
+"3941","(2-(4-Fluorophenyl)-3-methoxy-4-oxo-4H-chromen-8-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(4-Fluorophenyl)-3-methoxy-4-oxo-4H-chromen-8-yl)acetic acid",NA,"COC1=C(OC2=C(C=CC=C2C1=O)CC(=O)O)C3=CC=C(C=C3)F","JDGYVGBEQWWRJS-UHFFFAOYSA-N",388154,NA,"PDBC03941","682718","Present",NA,NA
+"3942","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxy-1-naphthyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxy-1-naphthyl)acetonitrile",NA,"CC1=CC(=O)NC(=N1)NNC(C#N)C2=C(C=CC3=CC=CC=C32)O","BITKFFANZCHSPD-UHFFFAOYSA-N",135409031,NA,"PDBC03942","653840","Present",NA,NA
+"3943","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(2-hydroxyphenyl)acetonitrile",NA,"CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=CC=C2O","KVRRKFIUABQPRC-UHFFFAOYSA-N",135409022,NA,"PDBC03943","653831","Present",NA,NA
+"3944","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(3,4,5-trimethoxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(3,4,5-trimethoxyphenyl)acetonitrile",NA,"CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC(=C(C(=C2)OC)OC)OC","WGFRPDJDLIBSHF-UHFFFAOYSA-N",135409030,NA,"PDBC03944","653839","Present",NA,NA
+"3945","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(3-(hydroxy(oxido)amino)phenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)hydrazinyl](3-nitrophenyl)acetonitrile",NA,"CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC(=CC=C2)[N+](=O)[O-]","CGYXMHLQQIDFEK-UHFFFAOYSA-N",135409026,NA,"PDBC03945","653835","Present",NA,NA
+"3946","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(3-hydroxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(3-hydroxyphenyl)acetonitrile",NA,"CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC(=CC=C2)O","XDIJIOJROJNLKP-UHFFFAOYSA-N",135409024,NA,"PDBC03946","653833","Present",NA,NA
+"3947","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(4-(hydroxy(oxido)amino)phenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)hydrazinyl](4-nitrophenyl)acetonitrile",NA,"CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=C(C=C2)[N+](=O)[O-]","PTBDVVMAPRZZJE-UHFFFAOYSA-N",135409025,NA,"PDBC03947","653834","Present",NA,NA
+"3948","(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(4-hydroxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(4-Hydroxy-6-methyl-2-pyrimidinyl)hydrazino)(4-hydroxyphenyl)acetonitrile",NA,"CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=C(C=C2)O","NRPOJFIKAJOWST-UHFFFAOYSA-N",135409023,NA,"PDBC03948","653832","Present",NA,NA
+"3949","(2-(Benzyloxy)-4-methoxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GHQVMARKZDBYKZ-UHFFFAOYSA-N",NA,"COC1=CC(=C(C=C1)CC#N)OCC2=CC=CC=C2","GHQVMARKZDBYKZ-UHFFFAOYSA-N",319408,NA,"PDBC03949","263601","Present",NA,NA
+"3950","(2-(Benzyloxy)ethyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(Benzyloxy)ethyl)triphenylphosphonium bromide",NA,"C1=CC=C(C=C1)COCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","BICVQFBELAVBIE-UHFFFAOYSA-M",24189130,NA,"PDBC03950","84064","Present",NA,NA
+"3951","(2-(Diisopropylphosphorothioyl)-1-methylene-2-propenyl)(diisopropyl)phosphine sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Diisopropylphosphinothioyl-1-methylene-allyl)-diisopropyl-thioxo-$l^{5}-phosphane",NA,"CC(C)P(=S)(C(C)C)C(=C)C(=C)P(=S)(C(C)C)C(C)C","NWVWDJNCRKQARJ-UHFFFAOYSA-N",364690,NA,"PDBC03951","631342","Present",NA,NA
+"3952","(2-(Diphenylphosphorothioyl)-1-methylene-2-propenyl)(diphenyl)phosphine sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Diphenylphosphinothioyl-1-methylene-allyl)-diphenyl-thioxo-$l^{5}-phosphane",NA,"C=C(C(=C)P(=S)(C1=CC=CC=C1)C2=CC=CC=C2)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4","RYISNEUHVKGGBY-UHFFFAOYSA-N",364688,NA,"PDBC03952","631340","Present",NA,NA
+"3953","(2-Amino-3,5-dimethylphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694099///Benzenemethanol, 2-amino-3,5-dimethyl-",NA,"CC1=CC(=C(C(=C1)CO)N)C","CRPRKAVPVAZRMT-UHFFFAOYSA-N",392916,NA,"PDBC03953","694099///694100","Present",NA,NA
+"3954","(2-Amino-4,6-dihydroxy-pyrimidin-5-yl)-phenyl-iodonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Amino-4,6-dihydroxy-pyrimidin-5-yl)-phenyl-iodonium",NA,"C1=CC=C(C=C1)[I+]C2=C(N=C(NC2=O)N)[O-]","JIRDYBPETPRBGW-UHFFFAOYSA-N",385066,NA,"PDBC03954","675993","Present",NA,NA
+"3955","(2-Amino-4-nitrophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Amino-4-nitro-phenyl)-[(2s)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone",NA,"C1CC(N(C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)CO","NQDOCLHEZQMEOZ-VIFPVBQESA-N",392407,NA,"PDBC03955","692771","Present",NA,NA
+"3956","(2-Aminoethyl)dithiocarbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"925876PZ8X",NA,"C(CNC(=S)S)N","NJGRNRAXMBFJJY-UHFFFAOYSA-N",3246302,NA,"PDBC03956","83224","Present",NA,NA
+"3957","(2-Aminoethyl)naphthylamine, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nci-c03281",NA,"C1=CC=C2C(=C1)C=CC=C2NCCN.Cl","WZRRZVUZWWMSKH-UHFFFAOYSA-N",12402726,NA,"PDBC03957","9849","Present",NA,NA
+"3958","(2-Aminoethyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ciliatine",NA,"C(CP(=O)(O)O)N","QQVDJLLNRSOCEL-UHFFFAOYSA-N",339,NA,"PDBC03958","133837","Present",NA,NA
+"3959","(2-Anilino-2-oxoethyl) N,N-dimethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_000057",NA,"CN(C)C(=S)SCC(=O)NC1=CC=CC=C1","RGIZDISFFZUCIM-UHFFFAOYSA-N",313663,NA,"PDBC03959","229072","Present",NA,NA
+"3960","(2-Anilino-6-hydroxy-9H-purin-9-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Anilino-6-hydroxy-purin-9-yl)acetic acid",NA,"C1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3CC(=O)O","BCRLJJVCUZUELT-UHFFFAOYSA-N",135489859,NA,"PDBC03960","685816","Present",NA,NA
+"3961","(2-Benzamido-1,2-diphenylethyl)carbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Benzamido-1,2-diphenylethyl)carbamic acid",NA,"C1=CC=C(C=C1)C(C(C2=CC=CC=C2)NC(=O)O)NC(=O)C3=CC=CC=C3","JGBLEKJGTAQZHB-UHFFFAOYSA-N",359332,NA,"PDBC03961","620118","Present",NA,NA
+"3962","(2-Benzamido-3-phenylpropyl) 2-benzamido-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASPERPHENAMATE",NA,"C1=CC=C(C=C1)CC(COC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4","CVULDJMCSSACEO-UHFFFAOYSA-N",328238,NA,"PDBC03962","306231","Present",NA,NA
+"3963","(2-Benzamidophenyl) benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Benzamidophenyl) benzoate",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2OC(=O)C3=CC=CC=C3","QGOZYNURVSRBIG-UHFFFAOYSA-N",226518,NA,"PDBC03963","17065","Present",NA,NA
+"3964","(2-Benzilamidoethyl)diethylmethylammonium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-16723",NA,"CC[N+](C)(CC)CCNC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.[I-]","XYVZCDXGAKQSIE-UHFFFAOYSA-N",59252,NA,"PDBC03964","659154","Present",NA,NA
+"3965","(2-Benzimidazolylthio)-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_003613",NA,"C1=CC=C2C(=C1)NC(=N2)SCC(=O)O","UYNVBLJQBCTRKV-UHFFFAOYSA-N",137805,NA,"PDBC03965","14186","Present",NA,NA
+"3966","(2-Benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride",NA,"CC1=CC(=C(C=C1)C)C(=N)C2=CC=CC=C2CC3=CC=CC=C3.Cl","RMNPDFCSFVPFKZ-UHFFFAOYSA-N",5351937,NA,"PDBC03966","99504","Present",NA,NA
+"3967","(2-Benzylphenyl)-naphthalen-2-ylmethanimine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC99515",NA,"C1=CC=C(C=C1)CC2=CC=CC=C2C(=N)C3=CC4=CC=CC=C4C=C3.Cl","PIJBWBFPYNJJPH-UHFFFAOYSA-N",24189998,NA,"PDBC03967","99515","Present",NA,NA
+"3968","(2-Bromoethyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, (2-bromoethyl)triphenyl-, bromide",NA,"C1=CC=C(C=C1)[P+](CCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","ZHLVWYZWQPNQDQ-UHFFFAOYSA-M",22210408,NA,"PDBC03968","264077","Present",NA,NA
+"3969","(2-Butyl-1-chloro-5,8-dioxaspiro[3.4]oct-2-en-3-yl)-morpholino-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Butyl-1-chloro-5,8-dioxaspiro[3.4]oct-2-en-3-yl)-morpholino-methanone",NA,"CCCCC1=C(C2(C1Cl)OCCO2)C(=O)N3CCOCC3","QMYSHIMJYRDCNI-UHFFFAOYSA-N",394532,NA,"PDBC03969","698077","Present",NA,NA
+"3970","(2-Carboxyethyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC84145",NA,"C1=CC=C(C=C1)[P+](CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","BVKRDNIULHRLCO-UHFFFAOYSA-N",2733850,NA,"PDBC03970","84145","Present",NA,NA
+"3971","(2-Chloro-2,4-dimethylpentan-3-yl)-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Chloro-2,4-dimethylpentan-3-yl)-(4-methylphenyl)-oxo-phenylimino-lambda6-sulfane",NA,"CC1=CC=C(C=C1)S(=NC2=CC=CC=C2)(=O)C(C(C)C)C(C)(C)Cl","DVFUUDXSWUKQSE-UHFFFAOYSA-N",400257,NA,"PDBC03971","711790","Present",NA,NA
+"3972","(2-Chloro-3,4-dihydro-1(2H)-quinolinyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Chloro-3,4-dihydro-1(2H)-quinolinyl)acetonitrile",NA,"C1CC2=CC=CC=C2N(C1Cl)CC#N","DZCXKHSUCHTENQ-UHFFFAOYSA-N",377654,NA,"PDBC03972","659235","Present",NA,NA
+"3973","(2-Chloro-4-morpholin-4-ylphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766401",NA,"C1COCCN1C2=CC(=C(C=C2)CO)Cl","IMQDOABNJOLRNN-UHFFFAOYSA-N",108293638,NA,"PDBC03973","766401","Present",NA,NA
+"3974","(2-Chloro-4-pyrrolidin-1-ylphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766399",NA,"C1CCN(C1)C2=CC(=C(C=C2)CO)Cl","AHXQKYRYXIRPON-UHFFFAOYSA-N",108293637,NA,"PDBC03974","766399","Present",NA,NA
+"3975","(2-Chloro-6-methyl-phenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Chloro-6-methyl-phenyl)thiourea",NA,"CC1=C(C(=CC=C1)Cl)NC(=S)N","BXWQWESKSRZQAY-UHFFFAOYSA-N",3004198,NA,"PDBC03975","636086","Present",NA,NA
+"3976","(2-Chloro-phenyl)-{6-[5-(4-nitro-phenyl)-furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-ylmethyl}-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-[[6-[5-(4-nitrophenyl)furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline",NA,"C1C(=NN2C(=NN=C2S1)CNC3=CC=CC=C3Cl)C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]","QNJGUZXZTHGGHM-UHFFFAOYSA-N",367882,NA,"PDBC03976","638048","Present",NA,NA
+"3977","(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,"C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2Cl)NC3=CC(=NC=C3)C(F)(F)F","OISCLGVVNMPCQX-UHFFFAOYSA-N",11292294,NA,"PDBC03977","731822","Present",NA,NA
+"3978","(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate",NA,"C1=CC=C(C(=C1)OC(=O)C2=C(N=CC=C2)NC3=CC(=NC=C3)C(F)(F)F)Cl","MIMFHVQNXKUGAJ-UHFFFAOYSA-N",11639785,NA,"PDBC03978","733467","Present",NA,NA
+"3979","(2-Cyano-5-nitro-phenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Cyano-5-nitro-phenyl)thiourea",NA,"C1=CC(=C(C=C1[N+](=O)[O-])NC(=S)N)C#N","FOCIVBZNKUJNFQ-UHFFFAOYSA-N",3004194,NA,"PDBC03979","635821","Present",NA,NA
+"3980","(2-Cyclopropyl-4-hydroxy-4-oxo-butyl)-trimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyclopropyl-4-(trimethylammonio)butanoate",NA,"C[N+](C)(C)CC(CC(=O)[O-])C1CC1","OPAJNXGNDLFPLS-UHFFFAOYSA-N",370729,NA,"PDBC03980","644249","Present",NA,NA
+"3981","(2-Diethoxyphosphoryl-2,2-difluoro-ethyl)cyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Diethoxyphosphoryl-2,2-difluoro-ethyl)cyclohexane",NA,"CCOP(=O)(C(CC1CCCCC1)(F)F)OCC","NMDAZSHVIUFTIR-UHFFFAOYSA-N",379141,NA,"PDBC03981","663420","Present",NA,NA
+"3982","(2-Diethoxyphosphoryl-4-hydroxy-pyrrolidin-1-yl) 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Diethoxyphosphoryl-4-hydroxy-pyrrolidin-1-yl) 2,2-dimethylpropanoate",NA,"CCOP(=O)(C1CC(CN1OC(=O)C(C)(C)C)O)OCC","XIOIUFNCQUYPHK-UHFFFAOYSA-N",390828,NA,"PDBC03982","688886","Present",NA,NA
+"3983","(2-Dimethylarsanylsulfanylpyrimidin-4-yl)sulfanyl-dimethylarsane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethylarsinothious acid, 2,4-pyrimidinediyl ester",NA,"C[As](C)SC1=NC(=NC=C1)S[As](C)C","MDWJHUUGASJAGQ-UHFFFAOYSA-N",294741,NA,"PDBC03983","163664","Present",NA,NA
+"3984","(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2$l^{5}-diazaphosphol-5-yl)cyanamide; propan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2$l^{5}-diazaphosphol-5-yl)cyanamide; propan-1-amine",NA,"CCCN.CCOP1(=O)C(N(C(=N1)NC#N)C)(C)C","WFZKTFSPWDBKCQ-UHFFFAOYSA-N",383541,NA,"PDBC03984","671959","Present",NA,NA
+"3985","(2-Ethoxy-5-hydroxyphenyl)-triphenylphosphanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, (2-ethoxy-5-hydroxyphenyl)triphenyl-, iodide",NA,"CCOC1=C(C=C(C=C1)O)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]","JDJJFCHRCBRYTH-UHFFFAOYSA-N",361829,NA,"PDBC03985","625146","Present",NA,NA
+"3986","(2-Ethoxyethyl)triphenylphosphoniuM broMide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SXPXVPGJBRZVLW-UHFFFAOYSA-M",NA,"CCOCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","SXPXVPGJBRZVLW-UHFFFAOYSA-M",24189128,NA,"PDBC03986","84061","Present",NA,NA
+"3987","(2-Ethyl-1-(1-naphthylmethyl)-1H-imidazol-5-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Ethyl-1-(1-naphthylmethyl)-1H-imidazol-5-yl)methanol",NA,"CCC1=NC=C(N1CC2=CC=CC3=CC=CC=C32)CO","IECRHZFXYLMNLU-UHFFFAOYSA-N",320831,NA,"PDBC03987","269903","Present",NA,NA
+"3988","(2-Fluoro-2,2-dinitro-ethyl) (3-fluoro-3,3-dinitro-propyl) carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Fluoro-2,2-dinitro-ethyl) (3-fluoro-3,3-dinitro-propyl) carbonate",NA,"C(COC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F","ZPHHHIDBVROPBD-UHFFFAOYSA-N",388364,NA,"PDBC03988","683259","Present",NA,NA
+"3989","(2-Fluoro-4-methoxyphenyl)-phenothiazin-10-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780549",NA,"COC1=CC(=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)F","LZZBUUKFPXPDKV-UHFFFAOYSA-N",127053173,NA,"PDBC03989","780549","Present",NA,NA
+"3990","(2-Hydroxy-2-phenylacetoxy)trimethyltin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-HYDROXY-2-PHENYLACETOXY)TRIMETHYLTIN",NA,"C[Sn](C)(C)OC(=O)C(C1=CC=CC=C1)O","LVPYOLPVOJTSIN-UHFFFAOYSA-M",16683226,NA,"PDBC03990","645568","Present",NA,NA
+"3991","(2-Hydroxy-3,5-diiodo-benzylidene)-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-hydroxy-3,5-diiodo-benzylidene-hydrazinocarbonylmethy...",NA,"C1=C(C=C(C(=C1C=NNC(=O)CSCC(=O)NN=CC2=C(C(=CC(=C2)I)I)O)O)I)I","LJWPNIYQBSOJIN-QVKIOAGYSA-N",135436448,NA,"PDBC03991","724291","Present",NA,NA
+"3992","(2-Hydroxycyclohexyl)-(2-methylphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Hydroxycyclohexyl)-(2-methylphenyl)methanone",NA,"CC1=CC=CC=C1C(=O)C2CCCCC2O","YKTWQAXNOMZIKM-UHFFFAOYSA-N",358364,NA,"PDBC03992","618330","Present",NA,NA
+"3993","(2-Hydroxycyclohexyl)methyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Hydroxycyclohexyl)methyl-trimethylazanium;iodide",NA,"C[N+](C)(C)CC1CCCCC1O.[I-]","IHIIBFKROGLZOU-UHFFFAOYSA-M",368215,NA,"PDBC03993","638642","Present",NA,NA
+"3994","(2-Hydroxyphenyl)-(2-methylphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-2'-methylbenzophenone",NA,"CC1=CC=CC=C1C(=O)C2=CC=CC=C2O","GWAHXRKRPHOSCV-UHFFFAOYSA-N",358262,NA,"PDBC03994","618205","Present",NA,NA
+"3995","(2-Hydroxyphenyl)-N-(4-oxo-2-phenyl(3-hydroquinazolin-3-yl))carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CC=C4O","LVQZZDUBHRSFMG-UHFFFAOYSA-N",376424,NA,"PDBC03995","657338","Present",NA,NA
+"3996","(2-Imino-6-thioxo-3H-purin-7-yl)-(4-nitrophenyl)mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Imino-6-thioxo-3H-purin-7-yl)-(4-nitrophenyl)mercury",NA,NA,NA,NA,NA,"PDBC03996","631945","Present",NA,NA
+"3997","(2-Methoxy-3-nonoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methoxy-3-nonoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate",NA,"CCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC","LTCDSUZIFHLDRH-UHFFFAOYSA-N",5027624,NA,"PDBC03997","343648","Present",NA,NA
+"3998","(2-Methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate",NA,"COC1=CC=C(C=C1)C=CC(=O)OC2=CC=CC=C2OC","ISUOKEPGSJEYPJ-FMIVXFBMSA-N",5928358,NA,"PDBC03998","700136","Present",NA,NA
+"3999","(2-Methoxyphenyl)(phenyl)methanamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640189",NA,"COC1=CC=CC=C1C(C2=CC=CC=C2)N.Cl","GQEJMTFEMHYJCO-UHFFFAOYSA-N",368853,NA,"PDBC03999","640189","Present",NA,NA
+"4000","(2-Methoxyphenyl)-[(1R,2R,4S,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methoxyphenyl)-[(1R,2R,4S,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]methanol",NA,"CC1(C2CCC1(C3C2CC(O3)C(C4=CC=CC=C4OC)O)C)C","MKHMRHOSPUSUGL-XUYHOCEUSA-N",6712783,NA,"PDBC04000","711789","Present",NA,NA
+"4001","(2-Methoxyphenyl)-naphthalen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methoxyphenyl)(naphthalen-2-yl)methanone",NA,"COC1=CC=CC=C1C(=O)C2=CC3=CC=CC=C3C=C2","DPIATUPMTSNEKU-UHFFFAOYSA-N",246624,NA,"PDBC04001","59937","Present",NA,NA
+"4002","(2-Methoxypiperidin-1-yl)-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-2-methoxypiperidine",NA,"COC1CCCCN1C(=O)C2=CC=CC=C2","HTKAMCXNPVWFAZ-UHFFFAOYSA-N",359208,NA,"PDBC04002","619917","Present",NA,NA
+"4003","(2-Methoxyquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methoxyquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone",NA,"COC1=NC2=CC=CC=C2C(=C1)C(=O)N3CCN(CC3)C4=CC=CC=C4","KUMVNHAVDWQQBN-UHFFFAOYSA-N",258251,NA,"PDBC04003","87034","Present",NA,NA
+"4004","(2-Methyl-1-nitropropan-2-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nitro-t-butyl-acetate",NA,"CC(=O)OC(C)(C)C[N+](=O)[O-]","XSTGTOOLWVOPGJ-UHFFFAOYSA-N",182621,NA,"PDBC04004","620110","Present",NA,NA
+"4005","(2-Methyl-1h-indol-3-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AM806323",NA,"CC1=C(C2=CC=CC=C2N1)CO","ASXDLUBNSFVSAU-UHFFFAOYSA-N",249349,NA,"PDBC04005","67603","Present",NA,NA
+"4006","(2-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)hydrazine",NA,"CC1CC(=NC2=CC=CC=C2N1)NN","ICRBVXHLGGNIOM-UHFFFAOYSA-N",397538,NA,"PDBC04006","705846","Present",NA,NA
+"4007","(2-Methylbenzyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(o-Methylbenzyl)triphenylphosphonium bromide",NA,"CC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","XDCQNYYELACHOT-UHFFFAOYSA-M",197738,NA,"PDBC04007","77140","Present",NA,NA
+"4008","(2-Methylquinolin-8-yl) N-[3-(trifluoromethyl)phenyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methylquinolin-8-yl) N-[3-(trifluoromethyl)phenyl]carbamate",NA,"CC1=NC2=C(C=CC=C2OC(=O)NC3=CC=CC(=C3)C(F)(F)F)C=C1","LCUKLWDEEVOKLV-UHFFFAOYSA-N",342421,NA,"PDBC04008","379368","Present",NA,NA
+"4009","(2-Methylspiro[1,2-oxazolidine-3,2'-adamantane]-5-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methylspiro[1,2-oxazolidine-3,2'-adamantane]-5-yl)methanol",NA,"CN1C2(CC(O1)CO)C3CC4CC(C3)CC2C4","CVDJSKPBNLQFFH-UHFFFAOYSA-N",374459,NA,"PDBC04009","652169","Present",NA,NA
+"4010","(2-Nitrocinnamylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-88977",NA,"C1=CC=C(C(=C1)C=CC=C(C#N)C#N)[N+](=O)[O-]","KWNBVBVINZVSFN-ZZXKWVIFSA-N",1550266,NA,"PDBC04010","659166","Present",NA,NA
+"4011","(2-Nitrophenyl) 2,4,6-trimethylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitrophenyl 2,4,6-trimethylbenzenesulfonate",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)OC2=CC=CC=C2[N+](=O)[O-])C","QCCDASOPVJFNAY-UHFFFAOYSA-N",230706,NA,"PDBC04011","25846","Present",NA,NA
+"4012","(2-Nitrophenyl)(p-tolyl)sulfane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2NO2Ph-S-4MePh",NA,"CC1=CC=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-]","UBBFBJSKBNASAJ-UHFFFAOYSA-N",361290,NA,"PDBC04012","624232","Present",NA,NA
+"4013","(2-Nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate",NA,"C1CC2C#CC=CC#CC3C4(C1)C2(O4)C5=CC=CC=C5N3C(=O)OCC6=CC=CC=C6[N+](=O)[O-]","WHARZCKUDMDSND-IDLMTYENSA-N",5469103,NA,"PDBC04013","683252","Present",NA,NA
+"4014","(2-Nitrophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACT09032",NA,"CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]","GFRUXBKTCIYXAD-UHFFFAOYSA-N",394914,NA,"PDBC04014","699007","Present",NA,NA
+"4015","(2-Oxido-1,2,5-oxadiazole-3,4-diyl)bis(1-benzothien-3-ylmethanone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-di(benzo[b]thiophene-3-carbonyl)-1,2,5-oxadiazole 2-...",NA,"C1=CC=C2C(=C1)C(=CS2)C(=O)C3=NO[N+](=C3C(=O)C4=CSC5=CC=CC=C54)[O-]","VGVCAZDGILAXDP-UHFFFAOYSA-N",227331,NA,"PDBC04015","18877","Present",NA,NA
+"4016","(2-Oxido-1,2,5-oxadiazole-3,4-diyl)bis[(4-chlorophenyl)methanone]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"furazan, bis(p-chlorobenzoyl)-, monooxide (8ci)",NA,"C1=CC(=CC=C1C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)Cl)[O-])Cl","BZZJOJCPQADALQ-UHFFFAOYSA-N",286557,NA,"PDBC04016","145016","Present",NA,NA
+"4017","(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxymethyl)-4-phenyl-1,2,5-oxadiazole 2-oxide",NA,"C1=CC=C(C=C1)C2=NO[N+](=C2CO)[O-]","HSQJNPRERPSLPB-UHFFFAOYSA-N",390735,NA,"PDBC04017","688494","Present",NA,NA
+"4018","(2-Oxo-1H-pyridin-3-yl) 3,5-dinitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Oxo-1H-pyridin-3-yl) 3,5-dinitrobenzoate",NA,"C1=CNC(=O)C(=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]","NTSJFFXAGDUGRW-UHFFFAOYSA-N",322878,NA,"PDBC04018","281254","Present",NA,NA
+"4019","(2-Oxo-3-triphenylphosphaniumylpropyl)-triphenylphosphanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC115684",NA,"C1=CC=C(C=C1)[P+](CC(=O)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]","JPBXNTVCCVWHCZ-UHFFFAOYSA-M",24190843,NA,"PDBC04019","115684","Present",NA,NA
+"4020","(2-Oxoazepan-3-yl) thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxoazepan-3-yl thiocyanate",NA,"C1CCNC(=O)C(C1)SC#N","INEACMLUVLIPMG-UHFFFAOYSA-N",274315,NA,"PDBC04020","120308","Present",NA,NA
+"4021","(2-Oxochromen-7-yl) dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-2-one, 7-(phosphonooxy)-",NA,"C1=CC(=CC2=C1C=CC(=O)O2)OP(=O)(O)O","CVOMRWJNUPHWRW-UHFFFAOYSA-N",378371,NA,"PDBC04021","660668","Present",NA,NA
+"4022","(2-Phenoxyethyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC84063",NA,"C1=CC=C(C=C1)OCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","QFIVZQJPMLZRIS-UHFFFAOYSA-M",2778279,NA,"PDBC04022","84063","Present",NA,NA
+"4023","(2-Phenyl-1-benzofuran-3-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-1-benzofuran-3-yl acetate",NA,"CC(=O)OC1=C(OC2=CC=CC=C21)C3=CC=CC=C3","PHCKIGCOCCRWDD-UHFFFAOYSA-N",387200,NA,"PDBC04023","680742","Present",NA,NA
+"4024","(2-Phenyl-1-benzothiophen-3-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_002848",NA,"CC(=O)OC1=C(SC2=CC=CC=C21)C3=CC=CC=C3","FEMWRJGQNQNJHP-UHFFFAOYSA-N",387197,NA,"PDBC04024","680739","Present",NA,NA
+"4025","(2-Phenyl-3-phenylmethoxypropyl)cyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Phenyl-3-phenylmethoxypropyl)cyanamide",NA,"C1=CC=C(C=C1)COCC(CNC#N)C2=CC=CC=C2","GEZCWUGZBHQMOJ-UHFFFAOYSA-N",357707,NA,"PDBC04025","617224","Present",NA,NA
+"4026","(2-Phenyl-4-thioxo-quinazolin-3-yl) 3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Phenyl-4-thioxo-quinazolin-3-yl) 3-phenylpropanoate",NA,"C1=CC=C(C=C1)CCC(=O)ON2C(=NC3=CC=CC=C3C2=S)C4=CC=CC=C4","PEECWTNEDKKVRY-UHFFFAOYSA-N",389395,NA,"PDBC04026","685461","Present",NA,NA
+"4027","(2-Phenylphenyl) 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Tosyloxy)biphenyl",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C3=CC=CC=C3","BHGWQZFJVFVCCQ-UHFFFAOYSA-N",262324,NA,"PDBC04027","95779","Present",NA,NA
+"4028","(2-Phenylquinolin-4-yl) 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenylquinolin-4-yl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","IOCCHCRWGYJWJX-UHFFFAOYSA-N",363320,NA,"PDBC04028","628141","Present",NA,NA
+"4029","(2-Sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Sulfanyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)thiourea",NA,"C1=CNC2=NC(=S)NC(=C21)NC(=S)N","WFEMUIPZUVIHKA-UHFFFAOYSA-N",135447063,NA,"PDBC04029","690964","Present",NA,NA
+"4030","(2-Tert-Butoxycarbonylamino-4-isobutyrylamino-butyl)-carbamic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Tert-Butoxycarbonylamino-4-isobutyrylamino-butyl)-carbamic acid tert-butyl ester",NA,"CC(C)C(=O)NCCC(CNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C","AFXFQHVLVZKQOP-ZDUSSCGKSA-N",391104,NA,"PDBC04030","689722","Present",NA,NA
+"4031","(2-Thienyl)(benzo[c][2,7]naphthyridine-4-yl) ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[c][2,7]naphthyridin-4-yl(thiophen-2-yl)methanone",NA,"C1=CC=C2C(=C1)C3=C(C=N2)C(=NC=C3)C(=O)C4=CC=CS4","KEMFIHVXMAKOGN-UHFFFAOYSA-N",404065,NA,"PDBC04031","720183","Present",NA,NA
+"4032","(2-chloro-6-fluoro-phenyl)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-chloro-6-fluoro-phenyl)[?]",NA,"C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=C(C=CC=C5Cl)F","XFDWUSABMXHHMJ-UHFFFAOYSA-N",388797,NA,"PDBC04032","683884","Present",NA,NA
+"4033","(2-fluoro-benzylidene-hydrazinocarbonylmethylsulfanyl)-a...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-fluoro-benzylidene-hydrazinocarbonylmethylsulfanyl)-a...",NA,"C1=CC=C(C(=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=CC=C2F)F","CWBVQYFHHLGLJL-KGIZCEIGSA-N",9572667,NA,"PDBC04033","724060","Present",NA,NA
+"4034","(2-fluorophenyl)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-fluorophenyl)[?]",NA,"C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=CC=CC=C5F","CXGVQVQQIKIQAC-UHFFFAOYSA-N",388682,NA,"PDBC04034","683701","Present",NA,NA
+"4035","(20S,22S,23R,26S)-15-Hydroxy-4,8,12,18,22,26-hexamethyl-6,20-bis(2-methylprop-1-enyl)-3,16-dioxaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),5,13(28),18-pentaen-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(20S,22S,23R,26S)-15-Hydroxy-4,8,12,18,22,26-hexamethyl-6,20-bis(2-methylprop-1-enyl)-3,16-dioxaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),5,13(28),18-pentaen-14-one",NA,"CC1CCC2C(CC(C3=C(C4=C(C1=C23)OC5(C6=C(CC(C7C6=C(C(CC7)C)C(=O)C5(O4)O)C)C=C(C)C)C)C)C=C(C)C)C","UDUCGFYSMTWBGH-OKLYPQKOSA-N",406724,NA,"PDBC04035","725003","Present",NA,NA
+"4036","(24S)-24-O-Acetyl,8-didehydroshengmanol xyloside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(24S)-24-O-acetyl,-7,8-didehydroshengmanol xyloside",NA,"CC1CC(OC2(C1C3(CCC45CC46CCC(C(C6CC=C5C3(C2O)C)(C)C)OC7C(C(C(CO7)O)O)O)C)O)C(C(C)(C)O)OC(=O)C","FTUCJLKRCLNNPB-ANMMNYSUSA-N",399181,NA,"PDBC04036","709753","Present",NA,NA
+"4037","(25R)-26-O-beta-D-Glucopyranosyl-22-O-methy-5.alpaha.-furostan-2alpha,22xi,26-tetrol 3-O-{O-alpha-L-rhamnosyl-(1->2)-O-[beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(25R)-26-O-.beta.-D-glucopyranosyl-22-O-methy-5.alpaha.-...",NA,"CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC","CBITYXQPHKKIBT-NDSFAVRRSA-N",398982,NA,"PDBC04037","709381","Present",NA,NA
+"4038","(2Abeta,4abeta,6bbeta)-2beta-(2-Furyl)octahydro-1,3-diazacyclopenta[cd]pentalene-3,6abeta-dicarboxylic acid 3-benzyl 6a-methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-Benzyl 1-O-methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate",NA,"COC(=O)C12CCC3C1C(C(N2)C4=CC=CO4)N(C3)C(=O)OCC5=CC=CC=C5","LHVMCQHRZMYHPI-FSWZZPBRSA-N",401757,NA,"PDBC04038","715487","Present",NA,NA
+"4039","(2E)-((Aminocarbonothioyl)hydrazono)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL194061",NA,"C(=NNC(=S)N)C(=O)O","LBPGMKDNBOKEEF-ORCRQEGFSA-N",6864590,NA,"PDBC04039","103752","Present",NA,NA
+"4040","(2E)-1,2-Bis(4-nitrophenyl)-2-(phenylhydrazono)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-1,2-Bis(4-nitrophenyl)-2-(phenylhydrazono)ethanone",NA,"C1=CC=C(C=C1)NN=C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]","ZXASDXFLOBWRET-ZBJSNUHESA-N",6387140,NA,"PDBC04040","625651","Present",NA,NA
+"4041","(2E)-1-(2,4-Dichlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2,4-Dichlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one",NA,"COC1=CC=CC(=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","GQMNYPOMIRUVCM-VMPITWQZSA-N",19562945,NA,"PDBC04041","730590","Present",NA,NA
+"4042","(2E)-1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichlorophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one",NA,"COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","ZMEDBKYDRYWFLR-RUDMXATFSA-N",24204099,NA,"PDBC04042","730586","Present",NA,NA
+"4043","(2E)-1-(2,4-Dichlorophenyl)-3-(6-methoxy-2-naphthyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2,4-Dichlorophenyl)-3-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C=CC(=O)C3=C(C=C(C=C3)Cl)Cl","WBKJYHBRUZNOHK-YCRREMRBSA-N",24205165,NA,"PDBC04043","734482","Present",NA,NA
+"4044","(2E)-1-(4-Chlorophenyl)-3-[4-(3-chlorophenyl)piperazinyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-phneyl)-3-[4-(3-chloro-phenyl)-piperazin-1-y...",NA,"C1CN(CCN1C=CC(=O)C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl","IPEZGIFPGVLPHU-CMDGGOBGSA-N",1046791,NA,"PDBC04044","725059","Present",NA,NA
+"4045","(2E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-2-(phenylhydrazono)butane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-2-(phenylhydrazono)butane-1,3-dione",NA,"CC(=O)C(=NNC1=CC=CC=C1)C(=O)C2=C(C3=C(C(=C2O)OC)OC=C3)OC","PRSLJBWDGGLZJL-PXLXIMEGSA-N",9571499,NA,"PDBC04045","673312","Present",NA,NA
+"4046","(2E)-1-(Benzenesulfonyl)-2-[(4-nitrophenyl)methylene]pyrrolo[2,3-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-1-(Benzenesulfonyl)-2-[(4-nitrophenyl)methylene]pyrrolo[2,3-b]pyridin-3-one",NA,"C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=C2N=CC=C4","UXRPJBWVWOOVKV-QGOAFFKASA-N",5468824,NA,"PDBC04046","676870","Present",NA,NA
+"4047","(2E)-1-Benzimidazol-2-yl-3-(4-methylthiophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(1H-Benzimidazol-2-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one",NA,"CSC1=CC=C(C=C1)C=CC(=O)C2=NC3=CC=CC=C3N2","MYLVIEHSGLPOQS-DHZHZOJOSA-N",5472117,NA,"PDBC04047","716334","Present",NA,NA
+"4048","(2E)-1-Oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-1-Oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=O)C2=CNC5=CC=CC(=C5)C(F)(F)F)C#N","XTWOOGKDUJGVCH-HMMYKYKNSA-N",5470350,NA,"PDBC04048","699954","Present",NA,NA
+"4049","(2E)-2-(1,3-Benzodioxol-5-ylmethylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(1,3-Benzodioxol-5-ylmethylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,"C1CC(=CC2=CC3=C(C=C2)OCO3)C(=O)C1CN4CCOCC4.Cl","SDWZNJCIENZVRP-KYIGKLDSSA-N",6516904,NA,"PDBC04049","639981","Present",NA,NA
+"4050","(2E)-2-(1-Piperidyl)-2-(2,4,7-trinitrofluoren-9-ylidene)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(1-Piperidyl)-2-(2,4,7-trinitrofluoren-9-ylidene)acetonitrile",NA,"C1CCN(CC1)C(=C2C3=C(C=CC(=C3)[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])C#N","HTSVNUNUWJRQSL-CZIZESTLSA-N",3005223,NA,"PDBC04050","684130","Present",NA,NA
+"4051","(2E)-2-(1H-Indol-3-ylmethylidene)hydrazinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS017515",NA,"C1=CC=C2C(=C1)C(=CN2)C=NNC(=S)N","RZOVCYGQNDYSCH-AWNIVKPZSA-N",135400404,NA,"PDBC04051","63786","Present",NA,NA
+"4052","(2E)-2-(2,3,3-Trichloro-1-nitro-prop-2-enylidene)thiazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(2,3,3-Trichloro-1-nitro-prop-2-enylidene)thiazolidine",NA,"C1CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1","ZWNXZDZJPQZAAK-GQCTYLIASA-N",3004958,NA,"PDBC04052","665110","Present",NA,NA
+"4053","(2E)-2-(2-Methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(2-Methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,"CC(C)C=C1CCC(C1=O)CN2CCOCC2.Cl","HIRVYTJGLRCRJK-NBYYMMLRSA-N",54608095,NA,"PDBC04053","639499","Present",NA,NA
+"4054","(2E)-2-(2-Methylpropylidene)-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(2-Methylpropylidene)-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,"CC(C)C=C1CCC(C1=O)CN2CCCC2.Cl","FYTKKMFGJWCZHZ-NBYYMMLRSA-N",54598738,NA,"PDBC04054","639500","Present",NA,NA
+"4055","(2E)-2-(2-Oxopropylidene)-5-propyl-1H-1,5-benzodiazepin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(2-Oxopropylidene)-5-propyl-1H-1,5-benzodiazepin-4-one",NA,"CCCN1C(=O)CC(=CC(=O)C)NC2=CC=CC=C21","BAUDRCKAFZEAMQ-FMIVXFBMSA-N",5387360,NA,"PDBC04055","622728","Present",NA,NA
+"4056","(2E)-2-(4-Bromobenzylidene)hydrazinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB01322102-02",NA,"C1=CC(=CC=C1C=NN=C(N)N)Br","ONHBRYWYNVUGHT-LFYBBSHMSA-N",9561657,NA,"PDBC04056","67613","Present",NA,NA
+"4057","(2E)-2-(6,6-Dimethyl-4-oxo-5,7-dihydro-1,3-benzodithiol-2-ylidene)-6,6-dimethyl-5,7-dihydro-1,3-benzodithiol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(6,6-Dimethyl-4-oxo-5,7-dihydro-1,3-benzodithiol-2-ylidene)-6,6-dimethyl-5,7-dihydro-1,3-benzodithiol-4-one",NA,"CC1(CC2=C(C(=O)C1)SC(=C3SC4=C(S3)C(=O)CC(C4)(C)C)S2)C","IEARFFGZBOREKV-FOCLMDBBSA-N",3004443,NA,"PDBC04057","655168","Present",NA,NA
+"4058","(2E)-2-(All-trans retinylidene)-N-{[(2E)-2-(all-trans retinylidene)hydrazinyl]carbonothioyl}hydrazinecarbothioamide N3-monosodium salt heminonahydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC751958///NSC751959",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=NNC(=S)NC(=S)NN=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C.O.[Na+]","PQOAWAWAVCOSLZ-NQPWKMLKSA-N",60147637,NA,"PDBC04058","751958///751959","Present",NA,NA
+"4059","(2E)-2-(Benzoylhydrazono)-7-hydroxy-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(Benzoylhydrazono)-7-hydroxy-2H-chromene-3-carboxamide",NA,"C1=CC=C(C=C1)C(=O)NN=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)N","XIHJCPIKUIVRKK-LVZFUZTISA-N",135505200,NA,"PDBC04059","704436","Present",NA,NA
+"4060","(2E)-2-(Furan-2-ylmethylidene)-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(Furan-2-ylmethylidene)-1-benzofuran-3-one",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=CC=CO3)O2","YHQBGGPEHALTKN-XYOKQWHBSA-N",49791621,NA,"PDBC04060","56543","Present",NA,NA
+"4061","(2E)-2-(Furan-2-ylmethylidene)butanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC61735",NA,"C1=COC(=C1)C=C(CC(=O)O)C(=O)O","IGWBCHOUEKOEOW-GQCTYLIASA-N",5356582,NA,"PDBC04061","61735","Present",NA,NA
+"4062","(2E)-2-(Indan-5-ylmethylene)-3,5,6,7-tetrahydro-s-indacen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(Indan-5-ylmethylene)-3,5,6,7-tetrahydro-s-indacen-1-one",NA,"C1CC2=C(C1)C=C(C=C2)C=C3CC4=C(C3=O)C=C5CCCC5=C4","POGGKAOBPMQTJO-KEBDBYFISA-N",5468714,NA,"PDBC04062","674946","Present",NA,NA
+"4063","(2E)-2-(Phenylcarbamoylimino)-5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-oxazolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(Phenylcarbamoylimino)-5-[(4-phenylpiperazin-1-yl)methyl]-N-propyl-oxazolidine-3-carboxamide",NA,"CCCNC(=O)N1CC(OC1=NC(=O)NC2=CC=CC=C2)CN3CCN(CC3)C4=CC=CC=C4","GYFVVEPHVHXQHR-AZPGRJICSA-N",5898191,NA,"PDBC04063","697658","Present",NA,NA
+"4064","(2E)-2-(Tert-butylhydrazinylidene)-3-diethoxyphosphoryl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(Tert-butylhydrazinylidene)-3-diethoxyphosphoryl-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide",NA,"CCOP(=O)(CC(=NNC(C)(C)C)C(=O)NC1=NC2=C(S1)C=C(C=C2)C)OCC","QTHKSXGQJBENKX-JCMHNJIXSA-N",9571318,NA,"PDBC04064","642030","Present",NA,NA
+"4065","(2E)-2-(m-Tolylmethylene)cycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(m-Tolylmethylene)cycloheptanone",NA,"CC1=CC(=CC=C1)C=C2CCCCCC2=O","JXWRJAWHJOKUKY-SDNWHVSQSA-N",5469546,NA,"PDBC04065","689955","Present",NA,NA
+"4066","(2E)-2-Benzoyl-3-(2-phenyl-1H-indol-3-yl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Benzoyl-3-(2-phenyl-1H-indol-3-yl)acrylonitrile",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)C(=O)C4=CC=CC=C4","PVXNBHAMIDEJIT-XDJHFCHBSA-N",5986877,NA,"PDBC04066","746691","Present",NA,NA
+"4067","(2E)-2-Benzylidene-5a-hydroxy-5-phenyl-5,6,7,8,9,9a-hexahydrothiazolo[2,3-b]quinazolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Benzylidene-5a-hydroxy-5-phenyl-5,6,7,8,9,9a-hexahydrothiazolo[2,3-b]quinazolin-3-one",NA,"C1CCC2(C(C1)N=C3N(C2C4=CC=CC=C4)C(=O)C(=CC5=CC=CC=C5)S3)O","LARPIEDAGFXNSD-OBGWFSINSA-N",5468526,NA,"PDBC04067","671328","Present",NA,NA
+"4068","(2E)-2-Benzylidene-6-methoxy-3H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylidene-6-methoxy-1-indanone",NA,"COC1=CC2=C(CC(=CC3=CC=CC=C3)C2=O)C=C1","WLNXGKLGUVFTLX-NTEUORMPSA-N",5468555,NA,"PDBC04068","671632","Present",NA,NA
+"4069","(2E)-2-Benzylidenecycloheptan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Benzylidenecycloheptanone",NA,"C1CCC(=CC2=CC=CC=C2)C(=O)CC1","BQCRDGOBIZRDJH-ACCUITESSA-N",5375572,NA,"PDBC04069","689951","Present",NA,NA
+"4070","(2E)-2-Butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,"CCC(=C1CCC(C1=O)CN2CCOCC2)C.Cl","UHKKWYDYVDKPGS-BNSHTTSQSA-N",50988763,NA,"PDBC04070","639986","Present",NA,NA
+"4071","(2E)-2-Butan-2-ylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Butan-2-ylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,"CCC(=C1CCC(C1=O)CN(C)C)C.Cl","RYBGRWXYUTXBDA-LBEJWNQZSA-N",54608547,NA,"PDBC04071","639985","Present",NA,NA
+"4072","(2E)-2-Butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Butylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,"CCCC=C1CCC(C1=O)CN(C)C.Cl","VSRNFYAUOSNDBW-AAGWESIMSA-N",5467289,NA,"PDBC04072","649903","Present",NA,NA
+"4073","(2E)-2-Cyano-2-(6-oxo-2,5-dihydro-[1,2,4]triazolo[3,4-a]phthalazin-3-ylidene)-N-phenylethanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Cyano-2-(6-oxo-2,5-dihydro-[1,2,4]triazolo[3,4-a]phthalazin-3-ylidene)-N-phenylethanethioamide",NA,"C1=CC=C(C=C1)NC(=S)C(=C2NN=C3N2NC(=O)C4=CC=CC=C43)C#N","IWMBVPIUWDCJIB-JQIJEIRASA-N",24205673,NA,"PDBC04073","736356","Present",NA,NA
+"4074","(2E)-2-Cyano-3-(4-hydroxyphenyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC117971///NSC638074",NA,"C1=CC(=CC=C1C=C(C#N)C(=O)N)O","ILLYSIXRHPOKIQ-VMPITWQZSA-N",5328796,NA,"PDBC04074","117971///638074","Present",NA,NA
+"4075","(2E)-2-Decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,"CCCCCCCCCC=C1CCC(C1=O)CN2CCOCC2.Cl","MCGSOLCMSCYCAE-DYMYMWKRSA-N",5467302,NA,"PDBC04075","649910","Present",NA,NA
+"4076","(2E)-2-Decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Decylidene-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,"CCCCCCCCCC=C1CCC(C1=O)CN(C)C.Cl","KSNUXNPKZVEQON-CLNHMMGSSA-N",5467300,NA,"PDBC04076","649909","Present",NA,NA
+"4077","(2E)-2-Ethylidene-5-methoxy-1,3-benzoxathiole 3,3-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Ethylidene-5-methoxy-1,3-benzoxathiole 3,3-dioxide",NA,"CC=C1OC2=C(S1(=O)=O)C=C(C=C2)OC","GKYNIKUFGBDTNR-XCVCLJGOSA-N",5388417,NA,"PDBC04077","635931","Present",NA,NA
+"4078","(2E)-2-Heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,"CCCCCCC=C1CCC(C1=O)CN2CCOCC2.Cl","ANDLESYYMFDWQE-HAZZGOGXSA-N",5467296,NA,"PDBC04078","649907","Present",NA,NA
+"4079","(2E)-2-Hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-hexylidene-5-[(4-morpholinyl)methyl]-,...",NA,"CCCCCC=C1CCC(C1=O)CN2CCOCC2.Cl","XTEDSHVEEBVSPK-JSSTZBRYSA-N",21141930,NA,"PDBC04079","639503","Present",NA,NA
+"4080","(2E)-2-Hydroxyimino-1,1-dioxo-benzothiophen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Hydroxyimino-1,1-dioxo-benzothiophen-3-one",NA,"C1=CC=C2C(=C1)C(=O)C(=NO)S2(=O)=O","PMUIOXSTYQCLRU-CMDGGOBGSA-N",6415265,NA,"PDBC04080","628941","Present",NA,NA
+"4081","(2E)-2-Hydroxyimino-1-(2,4,5-triphenyl-1H-pyrrol-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Hydroxyimino-1-(2,4,5-triphenyl-1H-pyrrol-3-yl)ethanone",NA,"C1=CC=C(C=C1)C2=C(NC(=C2C(=O)C=NO)C3=CC=CC=C3)C4=CC=CC=C4","GFOPCAHBNNNKQR-PCLIKHOPSA-N",9614301,NA,"PDBC04081","131530","Present",NA,NA
+"4082","(2E)-2-Hydroxyimino-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxo-N-(2,4,5-trichlorophenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Hydroxyimino-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxo-N-(2,4,5-trichlorophenyl)butanamide",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NO)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl","VJKZYNMNGDXZFC-ZVHZXABRSA-N",6399319,NA,"PDBC04082","635544","Present",NA,NA
+"4083","(2E)-2-Hydroxyiminochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Hydroxyiminochromene-3-carboxamide",NA,"C1=CC=C2C(=C1)C=C(C(=NO)O2)C(=O)N","UOBXYGAKWAHOFH-ZRDIBKRKSA-N",5408656,NA,"PDBC04083","701096","Present",NA,NA
+"4084","(2E)-2-Pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-Pentylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,"CCCCC=C1CCC(C1=O)CN2CCCC2.Cl","MTOKHCQJMXUPBH-FTPOTTDRSA-N",5467293,NA,"PDBC04084","649905","Present",NA,NA
+"4085","(2E)-2-[(2-Methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(2-Methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride",NA,"COC1=CC=CC=C1C=C2CCC(C2=O)CCN3CCOCC3.Cl","RNMONOBXCDOMDE-KLSJZZFUSA-N",6516906,NA,"PDBC04085","639982","Present",NA,NA
+"4086","(2E)-2-[(2-Methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanone, 2-[(2-methoxyphenyl)methylene]-5-[(4- mor...",NA,"COC1=CC=CC=C1C=C2CCC(C2=O)CN3CCOCC3.Cl","PWNIUNGZKQYDIQ-JRUHLWALSA-N",6516827,NA,"PDBC04086","639520","Present",NA,NA
+"4087","(2E)-2-[(3,4-Dichlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(3,4-Dichlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,"CN(C)CC1CCC(=CC2=CC(=C(C=C2)Cl)Cl)C1=O.Cl","WJNHVSUISWVSLV-RVDQCCQOSA-N",50988456,NA,"PDBC04087","639519","Present",NA,NA
+"4088","(2E)-2-[(3,5-Dichlorophenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-3,5-Dichlorobenzylidene]-5,6-dimethoxyindan-1-one",NA,"COC1=C(C=C2C(=C1)CC(=CC3=CC(=CC(=C3)Cl)Cl)C2=O)OC","FACCLMUVEKKEBB-KGVSQERTSA-N",5469761,NA,"PDBC04088","692311","Present",NA,NA
+"4089","(2E)-2-[(3,5-Dimethoxyphenyl)methylidene]-6,7-dimethoxy-3,4-dihydronaphthalen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-3,5-Dimethoxybenzylidene]-6,7-dimethoxytetralin-1-one",NA,"COC1=CC(=CC(=C1)C=C2CCC3=CC(=C(C=C3C2=O)OC)OC)OC","GHAJFLOZIHUGDL-VIZOYTHASA-N",5469759,NA,"PDBC04089","692308","Present",NA,NA
+"4090","(2E)-2-[(3-Chlorophenyl)hydrazono]-1-(6-hydroxy-4,7-dimethoxy-benzofuran-5-yl)butane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(3-Chlorophenyl)hydrazono]-1-(6-hydroxy-4,7-dimethoxy-benzofuran-5-yl)butane-1,3-dione",NA,"CC(=O)C(=NNC1=CC(=CC=C1)Cl)C(=O)C2=C(C3=C(C(=C2O)OC)OC=C3)OC","PRSJHWCESHTWJE-HZHRSRAPSA-N",9571933,NA,"PDBC04090","673311","Present",NA,NA
+"4091","(2E)-2-[(3-Nitrophenyl)methylene]cycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(3-Nitrophenyl)methylene]cycloheptanone",NA,"C1CCC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC1","FCJXKWDSDZGEHY-FMIVXFBMSA-N",5469552,NA,"PDBC04091","689961","Present",NA,NA
+"4092","(2E)-2-[(4-Chloroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Chloroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=O)C2=CNC5=CC=C(C=C5)Cl)C#N","ASQOGSDRLKHILK-HMMYKYKNSA-N",1817078,NA,"PDBC04092","699952","Present",NA,NA
+"4093","(2E)-2-[(4-Chloroanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Chloroanilino)methylidene]-3-methyl-1-oxopyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1=CNC4=CC=C(C=C4)Cl)C#N","ARDMHMAYBHGBQX-LFIBNONCSA-N",5456998,NA,"PDBC04093","712423","Present",NA,NA
+"4094","(2E)-2-[(4-Chloroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Chloroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=N2)C(=C(C(=CNC4=CC=C(C=C4)Cl)C3=O)C5=CC=CC=C5)C#N","JFSZLRRGGVTYKT-PXLXIMEGSA-N",5470349,NA,"PDBC04094","699953","Present",NA,NA
+"4095","(2E)-2-[(4-Chlorophenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Chlorophenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride",NA,"C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C1CCN3CCOCC3.Cl","CTHNXTHSBGBTCC-ZUQRMPMESA-N",50988454,NA,"PDBC04095","639984","Present",NA,NA
+"4096","(2E)-2-[(4-Chlorophenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(4-chlorophenyl)methylene]-5-[(4- mor...",NA,"C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C1CN3CCOCC3.Cl","QPCHSZRRKHSPFF-JHGYPSGKSA-N",50988453,NA,"PDBC04096","639517","Present",NA,NA
+"4097","(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(4-ethoxyanilino)methyl]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(4-ethoxyanilino)methyl]cyclopentan-1-one",NA,"CCOC1=CC=C(C=C1)NCC2CCC(=CC3=CC=C(C=C3)Cl)C2=O","QIHDKRFDEVJKDM-DTQAZKPQSA-N",6091065,NA,"PDBC04097","639542","Present",NA,NA
+"4098","(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(4-methylanilino)methyl]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(4-methylanilino)methyl]cyclopentan-1-one",NA,"CC1=CC=C(C=C1)NCC2CCC(=CC3=CC=C(C=C3)Cl)C2=O","RZUMYOMXSOOEAD-FOWTUZBSSA-N",5467971,NA,"PDBC04098","661231","Present",NA,NA
+"4099","(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Chlorophenyl)methylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,"CN(C)CC1CCC(=CC2=CC=C(C=C2)Cl)C1=O.Cl","YANYHOAIRYYGNF-NBYYMMLRSA-N",5387768,NA,"PDBC04099","626881","Present",NA,NA
+"4100","(2E)-2-[(4-Fluoroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Fluoroanilino)methylidene]-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=O)C2=CNC5=CC=C(C=C5)F)C#N","DIAIWIHGFKTPSE-HMMYKYKNSA-N",5470347,NA,"PDBC04100","699950","Present",NA,NA
+"4101","(2E)-2-[(4-Fluoroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Fluoroanilino)methylidene]-7,8-dimethyl-1-oxo-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=N2)C(=C(C(=CNC4=CC=C(C=C4)F)C3=O)C5=CC=CC=C5)C#N","QVTRZQPYJNWFEC-PXLXIMEGSA-N",5470348,NA,"PDBC04101","699951","Present",NA,NA
+"4102","(2E)-2-[(4-Hydroxy-3,5-dimethylphenyl)methylidene]-5,6-dimethoxy-3H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Inden-1-one, 2,3-dihydro-2-[(4-hydroxy-3,5-dimethylph...",NA,"CC1=CC(=CC(=C1O)C)C=C2CC3=CC(=C(C=C3C2=O)OC)OC","PSQKEAPNQHILIA-VIZOYTHASA-N",5469772,NA,"PDBC04102","692745","Present",NA,NA
+"4103","(2E)-2-[(4-Hydroxy-3-methoxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Hydroxy-3-methoxyphenyl)methylidene]-7-methoxy-1-benzofuran-3-one",NA,"COC1=CC=CC2=C1OC(=CC3=CC(=C(C=C3)O)OC)C2=O","YOCXMJWCELPPMX-OQLLNIDSSA-N",49791614,NA,"PDBC04103","43320","Present",NA,NA
+"4104","(2E)-2-[(4-Methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Methoxyphenyl)methylidene]-5-(2-morpholin-4-ylethyl)cyclopentan-1-one;hydrochloride",NA,"COC1=CC=C(C=C1)C=C2CCC(C2=O)CCN3CCOCC3.Cl","KTVALHAFKGARJO-KLSJZZFUSA-N",50988774,NA,"PDBC04104","639983","Present",NA,NA
+"4105","(2E)-2-[(4-Methoxyphenyl)methylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(4-methoxyphenyl)methylene]-5-[(4- mo...",NA,"COC1=CC=C(C=C1)C=C2CCC(C2=O)CN3CCOCC3.Cl","ARWVGTNXBOJEJT-JRUHLWALSA-N",50988775,NA,"PDBC04105","639512","Present",NA,NA
+"4106","(2E)-2-[(4-Methoxyphenyl)methylidene]-5-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Methoxyphenyl)methylidene]-5-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]cyclopentan-1-one",NA,"CC1=CC(=NO1)NCC2CCC(=CC3=CC=C(C=C3)OC)C2=O","TUTNKRNMAXCBQH-GXDHUFHOSA-N",5467977,NA,"PDBC04106","661237","Present",NA,NA
+"4107","(2E)-2-[(4-Methyl-2-quinolyl)hydrazono]propanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Methyl-2-quinolyl)hydrazono]propanal",NA,"CC1=CC(=NC2=CC=CC=C12)NN=C(C)C=O","OWARTMUKWKUDNB-XNTDXEJSSA-N",9572009,NA,"PDBC04107","686356","Present",NA,NA
+"4108","(2E)-2-[(4-Nitrophenyl)methylene]cycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4-Nitrophenyl)methylene]cycloheptanone",NA,"C1CCC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC1","FLOAXIIJLCRQGR-ZRDIBKRKSA-N",5469551,NA,"PDBC04108","689960","Present",NA,NA
+"4109","(2E)-2-[(4Z)-5-Bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-naphthalen-1-ylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(4Z)-5-Bromo-2-chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-naphthalen-1-ylacetonitrile",NA,"C1=CC=C2C(=C1)C=CC=C2C(=C3C=C(C(=NO)C=C3Cl)Br)C#N","BJDKZONPNOGIEO-MPRWPCGUSA-N",54610169,NA,"PDBC04109","144198","Present",NA,NA
+"4110","(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[3-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]propyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[3-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]propyl]acetamide",NA,"C1C2C=NC3=CC=CC=C3C(=O)N2CC1=CC(=O)NCCCNC(=O)C=C4CC5C=NC6=CC=CC=C6C(=O)N5C4","DYQBGQKTFQZNGR-KXSHQAFDSA-N",5471188,NA,"PDBC04110","709360","Present",NA,NA
+"4111","(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[4-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]butyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[4-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]butyl]acetamide",NA,"C1C2C=NC3=CC=CC=C3C(=O)N2CC1=CC(=O)NCCCCNC(=O)C=C4CC5C=NC6=CC=CC=C6C(=O)N5C4","RNLFRFCMJFDFOF-PVZRLHNFSA-N",5471189,NA,"PDBC04111","709361","Present",NA,NA
+"4112","(2E)-2-[(6As)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]-N-[5-[[(2E)-2-[(6aS)-11-oxo-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-8-ylidene]acetyl]amino]pentyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N,N'-(1,5-pentanediyl)bis[2-(1,3,5,11a-tetrah...",NA,"C1C2C=NC3=CC=CC=C3C(=O)N2CC1=CC(=O)NCCCCCNC(=O)C=C4CC5C=NC6=CC=CC=C6C(=O)N5C4","JLSJFQABDXFMHS-CVYWXUFRSA-N",5471190,NA,"PDBC04112","709362","Present",NA,NA
+"4113","(2E)-2-[(Z)-2,3-Dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-1,3-oxazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(Z)-2,3-Dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-1,3-oxazolidine",NA,"C1CCN(CC1)C(=C(C(=C2NCCO2)[N+](=O)[O-])Cl)Cl","DOFKHGROBBIIBI-GFULKKFKSA-N",1618700,NA,"PDBC04113","698387","Present",NA,NA
+"4114","(2E)-2-[(Z)-2,3-Dichloro-3-morpholin-4-yl-1-nitroprop-2-enylidene]-3H-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[(Z)-2,3-Dichloro-3-morpholin-4-yl-1-nitroprop-2-enylidene]-3H-1,3-benzoxazole",NA,"C1COCCN1C(=C(C(=C2NC3=CC=CC=C3O2)[N+](=O)[O-])Cl)Cl","MYNIVKDMRUSPSY-PHEQNACWSA-N",5470205,NA,"PDBC04114","698384","Present",NA,NA
+"4115","(2E)-2-[1-(4-Cyclohexylphenyl)ethylidene]hydrazinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625218",NA,"CC(=NNC(=S)N)C1=CC=C(C=C1)C2CCCCC2","BVDRAXGQEFWCBU-GZTJUZNOSA-N",5464929,NA,"PDBC04115","625218","Present",NA,NA
+"4116","(2E)-2-[1-(9H-Fluoren-2-yl)ethylidene]-N'-methylhydrazine-1-carboximidamide--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarboximidamide, 2-[1-(9H-fluoren-2-yl)ethylide...",NA,"CC(=NNC(=NC)N)C1=CC2=C(C=C1)C3=CC=CC=C3C2.Cl","IERAWRYRAYYBLN-DOELHFPHSA-N",54607521,NA,"PDBC04116","298823","Present",NA,NA
+"4117","(2E)-2-[2-(3-Bromophenyl)propylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[2-(3-Bromophenyl)propylidene]-5-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,"CC(C=C1CCC(C1=O)CN(C)C)C2=CC(=CC=C2)Br.Cl","QQQULCYJFLOBTO-KYIGKLDSSA-N",6516820,NA,"PDBC04117","639510","Present",NA,NA
+"4118","(2E)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-(4-methylphenyl)furan-3-one",NA,"CC1=CC=C(C=C1)C2=CC(=O)C(=CC(=O)C3=CC=C(C=C3)Cl)O2","VDQUATUUGBDUCI-VXLYETTFSA-N",5468711,NA,"PDBC04118","674917","Present",NA,NA
+"4119","(2E)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C(=CC(=O)C3=CC=C(C=C3)Cl)O2","JEHNULRDVZQRHG-VCHYOVAHSA-N",1550412,NA,"PDBC04119","674920","Present",NA,NA
+"4120","(2E)-2-[2-Oxo-2-(4-pyridyl)ethylidene]-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[2-Oxo-2-(4-pyridyl)ethylidene]-1H-quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)NC(=N2)C=C(C3=CC=NC=C3)O","QVTZCHLHHSETCK-LCYFTJDESA-N",135493401,NA,"PDBC04120","634178","Present",NA,NA
+"4121","(2E)-2-[2-[4-(2-Methylpropyl)phenyl]propylidene]-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[2-methyl-2-[4-(2-methylpropyl)- pheny...",NA,"CC(C)CC1=CC=C(C=C1)C(C)C=C2CCC(C2=O)CN3CCOCC3.Cl","LVCKGKWXARUNET-NEMIEIFKSA-N",21141970,NA,"PDBC04121","639976","Present",NA,NA
+"4122","(2E)-2-[2-[4-(2-Methylpropyl)phenyl]propylidene]-5-(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[2-methyl-2-[4-(2-methylpropyl)phenyl]...",NA,"CC(C)CC1=CC=C(C=C1)C(C)C=C2CCC(C2=O)CN3CCCCC3.Cl","PEIRJBIQKBCOGG-YHLMHSEJSA-N",54605003,NA,"PDBC04122","639978","Present",NA,NA
+"4123","(2E)-2-[2-[4-(2-Methylpropyl)phenyl]propylidene]-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[2-[4-(2-Methylpropyl)phenyl]propylidene]-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,"CC(C)CC1=CC=C(C=C1)C(C)C=C2CCC(C2=O)CN3CCCC3.Cl","YMKFNUBTBSPWMS-NEMIEIFKSA-N",54608909,NA,"PDBC04123","639977","Present",NA,NA
+"4124","(2E)-2-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[f]chromen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[f]chromen-1-one",NA,"COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)C=C3COC4=C(C3=O)C5=CC=CC=C5C=C4","KRGPNNKHNQKOGE-PXLXIMEGSA-N",45028852,NA,"PDBC04124","744633","Present",NA,NA
+"4125","(2E)-2-[[6-(4-Chlorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridazin-3-yl]hydrazinylidene]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-[[6-(4-Chlorophenyl)-5-(pyrrolidin-1-ylmethyl)pyridazin-3-yl]hydrazinylidene]propanoic acid",NA,"CC(=NNC1=NN=C(C(=C1)CN2CCCC2)C3=CC=C(C=C3)Cl)C(=O)O","DWIGIFFDKZNJFF-UDWIEESQSA-N",54611826,NA,"PDBC04125","713918","Present",NA,NA
+"4126","(2E)-3-(1-Adamantylamino)-2-[2-oxo-2-(p-tolyl)ethylidene]-1H-chromeno[3,4-b]pyrazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-3-(1-Adamantylamino)-2-[2-oxo-2-(p-tolyl)ethylidene]-1H-chromeno[3,4-b]pyrazin-5-one",NA,"CC1=CC=C(C=C1)C(=CC2=C(N=C3C(=N2)C4=CC=CC=C4OC3=O)NC56CC7CC(C5)CC(C7)C6)O","GINCRXVGWZJFPK-CFRMEGHHSA-N",135409015,NA,"PDBC04126","653319","Present",NA,NA
+"4127","(2E)-3-(2-Chlorophenyl)-2-phenacylidene-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-3-(2-Chlorophenyl)-2-phenacylidene-1H-quinazolin-4-one",NA,"C1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4Cl)O","YJSLRSYXIQBKIZ-ZHZULCJRSA-N",135503449,NA,"PDBC04127","633259","Present",NA,NA
+"4128","(2E)-3-(2-Phenyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-3-(2-phenyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylo...",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)S(=O)(=O)C4=CC=CC=C4","KXJCSTMYCGMREV-XDJHFCHBSA-N",45029399,NA,"PDBC04128","746687","Present",NA,NA
+"4129","(2E)-3-(3-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-Chlorophenyl)-1-(2,4-dichlorophenyl)prop-2-en-1-one",NA,"C1=CC(=CC(=C1)Cl)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","SKCBOPNZFPCHRQ-QPJJXVBHSA-N",11045166,NA,"PDBC04129","729972","Present",NA,NA
+"4130","(2E)-3-(4-Chlorophenyl)-2-[2-oxo-2-(4-pyridyl)ethylidene]-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-3-(4-Chlorophenyl)-2-[2-oxo-2-(4-pyridyl)ethylidene]-1H-quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)C=C(C3=CC=NC=C3)O)C4=CC=C(C=C4)Cl","DOKPSUMBAXOMDD-UYRXBGFRSA-N",135503454,NA,"PDBC04130","634223","Present",NA,NA
+"4131","(2E)-3-Allyl-6-methyl-2-[4-oxo-3-(p-tolyl)-2-thioxo-thiazolidin-5-ylidene]thiazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-6-Methyl-2-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-prop-2-enyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one",NA,"CC1=CC=C(C=C1)N2C(=O)C(=C3N(C4=C(S3)C(=O)N(C=N4)C)CC=C)SC2=S","ZAHPAUANMATZDI-NBVRZTHBSA-N",3004435,NA,"PDBC04131","653414","Present",NA,NA
+"4132","(2E)-3-[3,5-Bis(trifluoromethyl)phenylthio]-1-(4-chlorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Bis-trifluoromethyl-phenylsulfanyl)-1-(4-chloro-p...",NA,"C1=CC(=CC=C1C(=O)C=CSC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl","ZJXHIUMSGGJZJZ-AATRIKPKSA-N",6181983,NA,"PDBC04132","735169","Present",NA,NA
+"4133","(2E)-4,7-Dibromo-2-hydroxyimino-3H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-4,7-Dibromo-2-hydroxyimino-3H-inden-1-one",NA,"C1C2=C(C=CC(=C2C(=O)C1=NO)Br)Br","AIRYXJLKJITIFI-KPKJPENVSA-N",54612113,NA,"PDBC04133","713190","Present",NA,NA
+"4134","(2E)-4-(4-Chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-4-(4-Chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-5-[(4-nitrophenyl)methylsulfanyl]-1,3-dithiole",NA,"C1=CC(=CC=C1CSC2=C(SC(=C3SC(=C(S3)SCC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl)S2)C6=CC=C(C=C6)Cl)[N+](=O)[O-]","DIOJIILCQFHBDW-QNEJGDQOSA-N",3004934,NA,"PDBC04134","664020","Present",NA,NA
+"4135","(2E)-4-Bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-4-Bromo-2-[2-(4-bromophenyl)-2-oxoethylidene]-5-phenylfuran-3-one",NA,"C1=CC=C(C=C1)C2=C(C(=O)C(=CC(=O)C3=CC=C(C=C3)Br)O2)Br","IGZKPEHONHSLAT-XNTDXEJSSA-N",5468710,NA,"PDBC04135","674915","Present",NA,NA
+"4136","(2E)-5,6-Dimethoxy-2-[(3,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethoxy-2-(3,4,5-trimethoxybenzylidene)-1-indanone",NA,"COC1=CC(=CC(=C1OC)OC)C=C2CC3=CC(=C(C=C3C2=O)OC)OC","XGOGZOBCYBIIOZ-MKMNVTDBSA-N",5468557,NA,"PDBC04136","671634","Present",NA,NA
+"4137","(2E)-5,6-Dimethoxy-2-[(3-phenacyloxyphenyl)methylidene]-3H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-5,6-Dimethoxy-2-[(3-phenacyloxyphenyl)methylidene]-3H-inden-1-one",NA,"COC1=C(C=C2C(=C1)CC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=CC=C4)C2=O)OC","DYSBPHAWJRAUAL-RGVLZGJSSA-N",45028869,NA,"PDBC04137","744650","Present",NA,NA
+"4138","(2E)-5,6-Dimethyl-2-[4-oxo-3-(p-tolyl)-2-thioxo-thiazolidin-5-ylidene]-3-phenyl-thiazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-5,6-Dimethyl-2-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one",NA,"CC1=CC=C(C=C1)N2C(=O)C(=C3N(C4=C(S3)C(=O)N(C(=N4)C)C)C5=CC=CC=C5)SC2=S","HQTNXYPZIHRIEJ-RELWKKBWSA-N",3004434,NA,"PDBC04138","653413","Present",NA,NA
+"4139","(2E)-5-Ethyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-5-Ethyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one",NA,"CCN1C(=O)CC(=CC(=O)C)NC2=CC=CC=C21","XAEOTIATZZMIHS-DHZHZOJOSA-N",5387359,NA,"PDBC04139","622727","Present",NA,NA
+"4140","(2E)-5-Methyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-5-Methyl-2-(2-oxopropylidene)-1H-1,5-benzodiazepin-4-one",NA,"CC(=O)C=C1CC(=O)N(C2=CC=CC=C2N1)C","YCIMIWSJTNBBPH-JXMROGBWSA-N",5387358,NA,"PDBC04140","622726","Present",NA,NA
+"4141","(2E)-5-Methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-5-Methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)imino]-1,3-thiazolidin-4-one",NA,"CC1C(=O)NC(=NC2=NN=C(O2)C3=CC=CC=C3)S1","OQZPIHYCHYGSJS-UHFFFAOYSA-N",135496301,NA,"PDBC04141","707107","Present",NA,NA
+"4142","(2E)-5-Nitro-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-5-Nitro-2-(2,3,3-trichloro-1-nitroprop-2-enylidene)-1,3-dihydrobenzimidazole",NA,"C1=CC2=C(C=C1[N+](=O)[O-])NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2","GNYQAQGKSWHZNB-CSKARUKUSA-N",3106768,NA,"PDBC04142","698368","Present",NA,NA
+"4143","(2E)-6-Acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-6-Acetyl-2-[(2-chlorophenyl)methylidene]-5-methyl-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-3-one",NA,"CC1=C(SC2=[N+]1C(=O)C(=CC3=CC=CC=C3Cl)S2)C(=O)C","VOSPTOAMNUGYRV-KPKJPENVSA-N",5351417,NA,"PDBC04143","658285","Present",NA,NA
+"4144","(2E)-6-[(E)-(4-Methoxyphenyl)methyleneamino]-2-[4-oxo-3-(p-tolyl)-2-thioxo-thiazolidin-5-ylidene]-3-phenyl-thiazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-6-[(E)-(4-Methoxyphenyl)methylideneamino]-2-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-one",NA,"CC1=CC=C(C=C1)N2C(=O)C(=C3N(C4=C(S3)C(=O)N(C=N4)N=CC5=CC=C(C=C5)OC)C6=CC=CC=C6)SC2=S","PGIISAGFIVWKIY-LJVFCPPBSA-N",9571408,NA,"PDBC04144","653415","Present",NA,NA
+"4145","(2E)-7,8-Dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-7,8-Dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)anilino]methylidene]pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=N2)C(=C(C(=CNC4=CC=CC(=C4)C(F)(F)F)C3=O)C5=CC=CC=C5)C#N","LXYDQNPOQZVCEO-PXLXIMEGSA-N",5470351,NA,"PDBC04145","699955","Present",NA,NA
+"4146","(2E)-7-Methoxy-2-[(3-phenacyloxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-7-Methoxy-2-[(3-phenacyloxyphenyl)methylidene]-3,4-dihydronaphthalen-1-one",NA,"COC1=CC2=C(CCC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=CC=C4)C2=O)C=C1","LOROVRJYZWVYKE-KGENOOAVSA-N",45028855,NA,"PDBC04146","744636","Present",NA,NA
+"4147","(2E)-N-(2-Chloro-6-methylphenyl)-3-phenyl-2-propenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-N-(2-Chloro-6-methylphenyl)-3-phenyl-2-propenamide",NA,"CC1=C(C(=CC=C1)Cl)NC(=O)C=CC2=CC=CC=C2","LJRDTJXBWJQULY-ZHACJKMWSA-N",5351261,NA,"PDBC04147","191393","Present",NA,NA
+"4148","(2E)-N-(2-Iodophenyl)-N,3,3-trimethyl-2-[2-tri(propan-2-yl)silyloxyethylidene]pent-4-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-N-(2-Iodophenyl)-N,3,3-trimethyl-2-[2-tri(propan-2-yl)silyloxyethylidene]pent-4-enamide",NA,"CC(C)[Si](C(C)C)(C(C)C)OCC=C(C(=O)N(C)C1=CC=CC=C1I)C(C)(C)C=C","GZYVEYSDFNCWHY-PGMHBOJBSA-N",5469957,NA,"PDBC04148","694692","Present",NA,NA
+"4149","(2E)-N-(3-Methylphenyl)-3-(4-nitrophenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-N-(3-Methylphenyl)-3-(4-nitrophenyl)acrylamide",NA,"CC1=CC(=CC=C1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]","VPNQICVSXJMXGC-JXMROGBWSA-N",5351237,NA,"PDBC04149","139109","Present",NA,NA
+"4150","(2E)-N-(Prop-2-yn-1-yl)-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-N-(Prop-2-yn-1-yl)-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide",NA,"CC(=NNC(=S)NCC#C)C1=CC=CC=N1","MWYUXHHRPMWTPV-NTEUORMPSA-N",12563275,NA,"PDBC04150","317909","Present",NA,NA
+"4151","(2E)-N-Cyclohexyl-3-(5-nitro-2-furyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-N-Cyclohexyl-3-(5-nitro-2-furyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acrylamide",NA,"CC1(CC(CC(N1)(C)C)N(C2CCCCC2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-])C","GVQGXSUXPMJCMX-ZRDIBKRKSA-N",5897425,NA,"PDBC04151","632541","Present",NA,NA
+"4152","(2E)-N-Propyl-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-N-Propyl-2-[1-(pyridin-2-yl)ethylidene]hydrazine-1-carbothioamide",NA,"CCCNC(=S)NN=C(C)C1=CC=CC=N1","WYTOKZJSUZKLNF-NTEUORMPSA-N",5371176,NA,"PDBC04152","317908","Present",NA,NA
+"4153","(2E)-[(4E)-3-Chloro-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-[(4E)-3-Chloro-4-(hydroxyimino)cyclohexa-2,5-dien-1-ylidene](phenyl)acetonitrile",NA,"C1=CC=C(C=C1)C(=C2C=CC(=NO)C(=C2)Cl)C#N","PUGDLVPAXCLGPY-KMAOEOGZSA-N",54611238,NA,"PDBC04153","405157","Present",NA,NA
+"4154","(2E,4E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,4E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-5-phenylpenta-2,4-dien-1-one",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC=CC2=CC=CC=C2","FUQYXHNKZYPNRC-WFYKWJGLSA-N",54611541,NA,"PDBC04154","709096","Present",NA,NA
+"4155","(2E,4E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-5-phenylpenta-2,4-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,4E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-5-phenylpenta-2,4-dien-1-one",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC=CC3=CC=CC=C3","MBOPKNTYKVSWLN-XMGZOKRTSA-N",5387187,NA,"PDBC04155","621483","Present",NA,NA
+"4156","(2E,4E)-1-(Furan-2-yl)-5-phenylpenta-2,4-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(furan-2-yl)-5-phenylpenta-2,4-dien-1-one",NA,"C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CO2","WGZYMAVQZOPSBA-LUZURFALSA-N",6310903,NA,"PDBC04156","308819","Present",NA,NA
+"4157","(2E,4E)-1-[2-(2-Methyl-1H-indol-3-yl)indolin-1-yl]-5-phenyl-penta-2,4-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,4E)-1-[2-(2-Methyl-1H-indol-3-yl)indolin-1-yl]-5-phenyl-penta-2,4-dien-1-one",NA,"CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)C=CC=CC5=CC=CC=C5","OYVODWJYQVPYKM-KYSZAUAASA-N",5388205,NA,"PDBC04157","633486","Present",NA,NA
+"4158","(2E,4E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-4-methyl-5-phenyl-penta-2,4-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,4E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-4-methyl-5-phenylpenta-2,4-dien-1-one",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC(=CC5=CC=CC=C5)C","FGKMUICUBCAKMJ-RFBAJPLNSA-N",5466653,NA,"PDBC04158","640353","Present",NA,NA
+"4159","(2E,4E)-1-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-5-phenylpenta-2,4-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,4E)-1-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-5-phenylpenta-2,4-dien-1-one",NA,"C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5","DZMARDRFARGXJK-KMKPNOTNSA-N",45028640,NA,"PDBC04159","743534","Present",NA,NA
+"4160","(2E,4E)-5-Phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,4E)-5-Phenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)penta-2,4-dien-1-one",NA,"C1CCC2=C(C1)C=CC(=C2)C(=O)C=CC=CC3=CC=CC=C3","ZYWFERUFZOBVOX-GODDPXKCSA-N",54611498,NA,"PDBC04160","707563","Present",NA,NA
+"4161","(2E,4E,6Z,8E)-N-(1,3-Benzodioxol-5-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,4E,6Z,8E)-N-(1,3-Benzodioxol-5-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC3=C(C=C2)OCO3)C)C","DOOSIIKTOPOTGM-FEILZYSXSA-N",24202490,NA,"PDBC04161","672131","Present",NA,NA
+"4162","(2E,4E,6Z,8E)-N-(4-Methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,4E,6Z,8E)-N-(4-Methoxyphenyl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)OC)C)C","DBQHWMPFMCOGIW-HTEVJLBVSA-N",6153376,NA,"PDBC04162","674930","Present",NA,NA
+"4163","(2E,4S,5S,6E)-4-Hydroxy-5-[(tert-butyldimethylsilyl)oxy]-2,6-octadienoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-(4S,5S)-4-hydroxy-5-tert-butyldimethylsilyoxy-2,6-...",NA,"CCOC(=O)C=CC(C(C=CC)O[Si](C)(C)C(C)(C)C)O","SORUWOFRPURMIT-CJVQNTMISA-N",5468988,NA,"PDBC04163","680773","Present",NA,NA
+"4164","(2E,4Z)-5-Chloro-1-(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)-5-(3,4,5-trimethoxyphenyl)penta-2,4-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-1-(7-chloro-3-methyl-1,4-dioxyquinoxalin-2-yl)-...",NA,"CC1=C([N+](=C2C=C(C=CC2=[N+]1[O-])Cl)[O-])C(=O)C=CC=C(C3=CC(=C(C(=C3)OC)OC)OC)Cl","CMKMFAXVLYHKGT-ZETDYYLHSA-N",155808203,NA,"PDBC04164","757002","Present",NA,NA
+"4165","(2E,5Z)-2-(1-Benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenylimino-imidazolidine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,5Z)-2-(1-Benzylpyridin-1-ium-2-yl)imino-1,3-diphenyl-5-phenylimino-imidazolidine-4-thione",NA,"C1=CC=C(C=C1)C[N+]2=CC=CC=C2N=C3N(C(=NC4=CC=CC=C4)C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","LOMJBXJXESETQC-UHFFFAOYSA-M",6518831,NA,"PDBC04165","671400","Present",NA,NA
+"4166","(2E,6E)-9-[(2S,3S)-3-But-3-ynyl-2-methyloxiran-2-yl]-6-methylnona-2,6-dienal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,6E)-9-[(2S,3S)-3-But-3-ynyl-2-methyloxiran-2-yl]-6-methylnona-2,6-dienal",NA,"CC(=CCCC1(C(O1)CCC#C)C)CCC=CC=O","AQVYZWCGELYKDV-WPOYRCCNSA-N",5387053,NA,"PDBC04166","619988","Present",NA,NA
+"4167","(2E,9Z)-2,9,16-Heptadecatrien-4,6-diyn-1,8-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,8R,9Z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol",NA,"C=CCCCCCC=CC(C#CC#CC=CCO)O","UOQDNDFAPLNEJQ-BWWIHZRHSA-N",24205422,NA,"PDBC04167","735473","Present",NA,NA
+"4168","(2R) Ethyl 3-(2-hydroxypropyl)amino-2-(1H-benzimidazol-2-yl) acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R) Ethyl 3-(2-hydroxypropyl)amino-2-(1H-benzimidazol-2...",NA,"CCOC(=O)C(=CNCC(C)O)C1=NC2=CC=CC=C2N1","ITOZSEGUHPGNNR-QLWWJYNRSA-N",5471366,NA,"PDBC04168","710861","Present",NA,NA
+"4169","(2R)-1-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperidin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-1-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperidin-2-ol",NA,"COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCCCC5O)OCO4","PXGPQRQLZXUMFO-JOCHJYFZSA-N",24205683,NA,"PDBC04169","736379","Present",NA,NA
+"4170","(2R)-1-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperidin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-1-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]piperidin-2-ol",NA,"C1CCN(C(C1)O)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6","STYZXBUHBWQRRN-MUUNZHRXSA-N",24205682,NA,"PDBC04170","736378","Present",NA,NA
+"4171","(2R)-1-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]pyrrolidin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-1-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methyl]pyrrolidin-2-ol",NA,"C1CC(N(C1)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6)O","IIRXWMHBLREWQG-HHHXNRCGSA-N",24205684,NA,"PDBC04171","736380","Present",NA,NA
+"4172","(2R)-1-[[[(2R)-2-Carboxypyrrolidin-1-yl]methyl-hydroxyphosphoryl]methyl]pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-1-[[[(2R)-2-Carboxypyrrolidin-1-yl]methyl-hydroxyphosphoryl]methyl]pyrrolidine-2-carboxylic acid",NA,"C1CC(N(C1)CP(=O)(CN2CCCC2C(=O)O)O)C(=O)O","HLXLOCHSEWPILP-NXEZZACHSA-N",397184,NA,"PDBC04172","704591","Present",NA,NA
+"4173","(2R)-2,4alpha-Diacetoxy-5beta-[1-fluoro-2-[bis(benzyloxy)phosphinyloxy]ethyl]oxolane-2alpha-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC718131///NSC718132",NA,"CCOC(=O)C1(CC(C(O1)C(COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)F)OC(=O)C)OC(=O)C","ZQWDGRZAJNHGPI-HEPFJCSVSA-N",6712883,NA,"PDBC04173","718131///718132","Present",NA,NA
+"4174","(2R)-2-Phenyl-2-(1-pyridin-2-ylbut-3-enylamino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-2-Phenyl-2-(1-pyridin-2-ylbut-3-enylamino)ethanol",NA,"C=CCC(C1=CC=CC=N1)NC(CO)C2=CC=CC=C2","WXWUNEJPRKGNKM-DJNXLDHESA-N",24205354,NA,"PDBC04174","735303","Present",NA,NA
+"4175","(2R)-2-Phenyl-2-(1-quinolin-2-ylbut-3-enylamino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-2-Phenyl-2-(1-quinolin-2-ylbut-3-enylamino)ethanol",NA,"C=CCC(C1=NC2=CC=CC=C2C=C1)NC(CO)C3=CC=CC=C3","LOTCPSFNWDPBBI-QWAKEFERSA-N",24205356,NA,"PDBC04175","735305","Present",NA,NA
+"4176","(2R)-2-[(2R)-5-Carbamoyl-1-[(2,6-dichlorophenyl)methyl]-4-methyl-2H-pyridin-2-yl]-1-[(2,6-dichlorophenyl)methyl]-4-methyl-2H-pyridine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-2-[(2R)-5-Carbamoyl-1-[(2,6-dichlorophenyl)methyl]-4-methyl-2H-pyridin-2-yl]-1-[(2,6-dichlorophenyl)methyl]-4-methyl-2H-pyridine-5-carboxamide",NA,"CC1=CC(N(C=C1C(=O)N)CC2=C(C=CC=C2Cl)Cl)C3C=C(C(=CN3CC4=C(C=CC=C4Cl)Cl)C(=O)N)C","ZIGCVERPRMBFJR-CLJLJLNGSA-N",401228,NA,"PDBC04176","714435","Present",NA,NA
+"4177","(2R)-2-[(2R,3S)-2-[(E)-2-(3-Chlorophenyl)ethenyl]-4-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]azetidin-1-yl]-4-oxo-N-[(1R)-1-phenylethyl]-4-(4-piperidin-1-ylpiperidin-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-4-([1,4'-bipiperidin]-1'-yl)-2-((2R,3S)-2-((E)-3-chl...",NA,"CC(C1=CC=CC=C1)NC(=O)C(CC(=O)N2CCC(CC2)N3CCCCC3)N4C(C(C4=O)N5C(COC5=O)C6=CC=CC=C6)C=CC7=CC(=CC=C7)Cl","SCUZXSYEIHETRD-AFAPVMNMSA-N",155812090,NA,"PDBC04177","782570","Present",NA,NA
+"4178","(2R)-2-[(3S,4R)-3-Methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-4-oxo-4-(4-piperidin-1-ylpiperidin-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,4'-Bipiperidine]-1'-butanamide, alpha-[(3S,4R)-3-meth...",NA,"CC1(C(N(C1=O)C(CC(=O)N2CCC(CC2)N3CCCCC3)C(=O)NCC4=CC(=CC=C4)C(F)(F)F)C=CC5=CC=CC=C5)N6C(COC6=O)C7=CC=CC=C7","WACWXKFQHHCKNM-MSZJRMABSA-N",11400071,NA,"PDBC04178","782886","Present",NA,NA
+"4179","(2R)-2-[(4-Benzamidophenyl)sulfonylamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627215",NA,"CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","XFZWVVHQYZGKPH-LLVKDONJSA-N",5387782,NA,"PDBC04179","627215","Present",NA,NA
+"4180","(2R)-2-[3-Chloro-4,5-bis(phenylmethoxy)phenyl]-2-[[(1R,2R,4S,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-2-[3-Chloro-4,5-bis(phenylmethoxy)phenyl]-2-[[(1R,2R,4S,6R,7R)-1,10,10-trimethyl-3-oxatricyclo[5.2.1.02,6]decan-4-yl]oxy]ethanamine",NA,"CC1(C2CCC1(C3C2CC(O3)OC(CN)C4=CC(=C(C(=C4)Cl)OCC5=CC=CC=C5)OCC6=CC=CC=C6)C)C","BVGWFRPIXPSLDA-TZZAJGITSA-N",402134,NA,"PDBC04180","715991","Present",NA,NA
+"4181","(2R)-2-[[(2S)-2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-2-[[(2S)-2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","LTFUPIPJLCYCNQ-GYNBGYAISA-N",393686,NA,"PDBC04181","696075","Present",NA,NA
+"4182","(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","GYAVOWHOELUWTK-XVGXCWDFSA-N",6712544,NA,"PDBC04182","696077","Present",NA,NA
+"4183","(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[2-[2-[(1-nitroacridin-9-yl)amino]ethylamino]ethyl]pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","FJDILJGTDXMCMW-QOLHAAGSSA-N",393685,NA,"PDBC04183","696074","Present",NA,NA
+"4184","(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","WYKIPYLBZCTBLY-UFRUCMRISA-N",393689,NA,"PDBC04184","696078","Present",NA,NA
+"4185","(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]propyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[3-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]propyl]pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","JKRNJOYPLZQNRT-IIDAFLTHSA-N",393687,NA,"PDBC04185","696076","Present",NA,NA
+"4186","(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-2-[[(2S)-2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","JAEXQNXRILZTOQ-QOLHAAGSSA-N",393684,NA,"PDBC04186","696073","Present",NA,NA
+"4187","(2R)-4-Formyl-2-[(4-hydroxyphenyl)methyl]-1,3-dihydropyrazolo[1,5-a]indole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-4-Formyl-2-[(4-hydroxyphenyl)methyl]-1,3-dihydropyrazolo[1,5-a]indole-2-carboxylic acid",NA,"C1C2=C(C3=CC=CC=C3N2NC1(CC4=CC=C(C=C4)O)C(=O)O)C=O","VCMFYNNPHAYLGE-LJQANCHMSA-N",398182,NA,"PDBC04187","707777","Present",NA,NA
+"4188","(2R)-4-[(12S)-12-Hydroxy-12-[(2S)-5-oxooxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-4-[(12S)-12-Hydroxy-12-[(2S)-5-oxooxolan-2-yl]dodecyl]-2-methyl-2H-furan-5-one",NA,"CC1C=C(C(=O)O1)CCCCCCCCCCCC(C2CCC(=O)O2)O","IZTIFTPQZRSUOB-NEWSRXKRSA-N",24203209,NA,"PDBC04188","727189","Present",NA,NA
+"4189","(2R)-6-Methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-6-Methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-ol",NA,"CCC(C=CCCC1(OCCO1)CC(CCC=C(C)C)O)O[Si](C(C)C)(C(C)C)C(C)C","ULPUARIMGQKHOC-DNIGYFMASA-N",5471932,NA,"PDBC04189","715461","Present",NA,NA
+"4190","(2R,10R)-2,6,6,10-Tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[12.3.1.01,14.02,11.05,10]octadecan-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,10R)-2,6,6,10-Tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]pentacyclo[12.3.1.01,14.02,11.05,10]octadecan-7-one",NA,"CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(=O)C5(C)C)C)OC6C(C(C(C(O6)CO)O)O)O)C","MHMLZKBLIXNKLW-NZYRESGYSA-N",11970075,NA,"PDBC04190","663005","Present",NA,NA
+"4191","(2R,11As)-2,3-Dihydro-8-benzyloxy-2beta-hydroxy-7-methoxy-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11(10H,11aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As,8R)-8-hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C(=O)N2)O)OCC4=CC=CC=C4","MUCMYVAQMSQYSC-CJNGLKHVSA-N",396542,NA,"PDBC04191","703012","Present",NA,NA
+"4192","(2R,11As)-2-Fluoro-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1-H-benzo[e]-pyrrolo[1,2-a][1,4]diazepine-8-yl}propyl)piperazino]propoxy}-2-fluoro-7-Methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2a][1,4]diazepin-5one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,11aS)-8- {2-[4-(2-{[(2R,11aS)-2-Fluoro-7-Methoxy-5-o...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)F)OCCCN4CCN(CC4)CCCOC5=C(C=C6C(=C5)N=CC7CC(CN7C6=O)F)OC","IFSWCDUZMRLVNK-XPGKHFPBSA-N",45028795,NA,"PDBC04192","744330","Present",NA,NA
+"4193","(2R,11As)-C2-di-Fluoro-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1-H-benzo[e]-pyrrolo[1,2-a][1,4]diazepine-8-yl}propyl)piperazino]propoxy}-C2-di-fluoro-7-Methoxy-2,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2a][1,4]diazepin-5one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,11aS)-8- {2-[4-(2-{[(2R,11aS)-C2-di-Fluoro-7-Methoxy...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)(F)F)OCCCN4CCN(CC4)CCCOC5=C(C=C6C(=C5)N=CC7CC(CN7C6=O)(F)F)OC","KYPJBYKWBGJIRJ-ZEQRLZLVSA-N",44204058,NA,"PDBC04193","744331","Present",NA,NA
+"4194","(2R,12R,13S)-4,5,9,11,13,15,19-Heptamethyl-7,17-diphenyl-5,7,8,16,17,19-hexazahexacyclo[10.7.1.11,4.02,11.06,10.014,18]henicosa-6(10),8,14(18),15-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,5,5a,6,7,10,11,11a,13-decahydro-3,4,5a,6,9,10,13-ept...",NA,"CC1C2CC3(CC4(CC3C2(C5=C(N4C)N(N=C5C)C6=CC=CC=C6)C)C)N(C7=C1C(=NN7C8=CC=CC=C8)C)C","XPXNXLXLFILZKW-KNAZKQHRSA-N",155806798,NA,"PDBC04194","765766","Present",NA,NA
+"4195","(2R,12R,13S)-7,17-Bis(4-methoxyphenyl)-4,5,9,11,13,15,19-heptamethyl-5,7,8,16,17,19-hexazahexacyclo[10.7.1.11,4.02,11.06,10.014,18]henicosa-6(10),8,14(18),15-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,6aR,7S,12S,13S,13aS)-3,9-bis(4-methoxyphenyl)-1,4,5,...",NA,"CC1C2CC3(CC4(CC3C2(C5=C(N4C)N(N=C5C)C6=CC=C(C=C6)OC)C)C)N(C7=C1C(=NN7C8=CC=C(C=C8)OC)C)C","IJZZCKISZFJMLY-QMUZGWHBSA-N",155808207,NA,"PDBC04195","765770","Present",NA,NA
+"4196","(2R,12S)-4,5,9,11,15,19-Hexamethyl-13-methylidene-7,17-diphenyl-5,7,8,16,17,19-hexazahexacyclo[10.7.1.11,4.02,11.06,10.014,18]henicosa-6(10),8,14(18),15-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,5,5a,6,7,10,11,11a,13-Decahydro-3,5a,6,9,10,13-hexam...",NA,"CC1=NN(C2=C1C(=C)C3CC4(N2C)CC5(CC4C3(C6=C(N5C)N(N=C6C)C7=CC=CC=C7)C)C)C8=CC=CC=C8","NHFSUXLRHXIIBC-XXEWBFARSA-N",155813017,NA,"PDBC04196","765762","Present",NA,NA
+"4197","(2R,12S)-7,17-Bis(4-methoxyphenyl)-4,5,9,11,15,19-hexamethyl-13-methylidene-5,7,8,16,17,19-hexazahexacyclo[10.7.1.11,4.02,11.06,10.014,18]henicosa-6(10),8,14(18),15-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,5,5a,6,7,10,11,11a,13-decahydro-3,5a,6,9,10,13-hexa-...",NA,"CC1=NN(C2=C1C(=C)C3CC4(N2C)CC5(CC4C3(C6=C(N5C)N(N=C6C)C7=CC=C(C=C7)OC)C)C)C8=CC=C(C=C8)OC","CGZUXUNNEAXGJO-KMMWQESNSA-N",155815968,NA,"PDBC04197","765765","Present",NA,NA
+"4198","(2R,13R,16Z,18S)-16-Hydroxyimino-2,18-dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,13R,16Z,18S)-16-Hydroxyimino-2,18-dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one",NA,"CC12CCC3=NON=C3C1CCC4C2CCC5(C4CC(=NO)C5=O)C","KINBHFUHBUNAOF-NBQFSGFUSA-N",54608104,NA,"PDBC04198","645465","Present",NA,NA
+"4199","(2R,13R,17S,18S)-7-(4-Fluorophenyl)-2,18-dimethyl-6,7,9-triazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,13R,17S,18S)-7-(4-Fluorophenyl)-2,18-dimethyl-6,7,9-triazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-ol",NA,"CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(N4)N(N=C5)C6=CC=C(C=C6)F)C","CDGIYWNEIDGTBY-RVIUJWOKSA-N",376242,NA,"PDBC04199","656925","Present",NA,NA
+"4200","(2R,13R,18S)-2,18-Dimethyl-7-phenyl-6,7,8-triazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,13R,18S)-2,18-Dimethyl-7-phenyl-6,7,8-triazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-one",NA,"CC12CCC3=NN(N=C3C1CCC4C2CCC5(C4CCC5=O)C)C6=CC=CC=C6","JRKQWOULOHTFDW-KHBGUBENSA-N",371335,NA,"PDBC04200","645466","Present",NA,NA
+"4201","(2R,3As)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3As)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylic acid",NA,"C1C2CC(NN2C3=CC=CC=C31)(CC4=CC=C(C=C4)O)C(=O)O","XSFACNQCHRZSHQ-KBXCAEBGSA-N",398180,NA,"PDBC04201","707775","Present",NA,NA
+"4202","(2R,3R)-2,3-Bis(2-phenylethyl)-1,4-dioxaspiro[4.5]decane-6,9-diene-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2r,3r)-2,3-Bis(2-phenylethyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one",NA,"C1=CC=C(C=C1)CCC2C(OC3(O2)C=CC(=O)C=C3)CCC4=CC=CC=C4","DNGVLXGETHOTAW-DHIUTWEWSA-N",404469,NA,"PDBC04202","720701","Present",NA,NA
+"4203","(2R,3R)-2,3-Bis(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2r,3r)-2,3-Bis[(benzyloxy)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one",NA,"C1=CC=C(C=C1)COCC2C(OC3(O2)C=CC(=O)C=C3)COCC4=CC=CC=C4","ZIKRNDNVOAMMLC-DHIUTWEWSA-N",404468,NA,"PDBC04203","720700","Present",NA,NA
+"4204","(2R,3R)-2,3-Dibenzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3R)-2,3-Dibenzyl-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one",NA,"C1=CC=C(C=C1)CC2C(OC3(O2)C=CC(=O)C=C3)CC4=CC=CC=C4","UQYRAZQBGUKVIA-NHCUHLMSSA-N",404470,NA,"PDBC04204","720702","Present",NA,NA
+"4205","(2R,3R)-2,3-Dibromo-2-methylbutanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2r,3r)-2,3-Dibromo-2-methylbutanedioic acid",NA,"CC(C(C(=O)O)Br)(C(=O)O)Br","FSWZFIMNUMKNEU-MVHIGOERSA-N",230404,NA,"PDBC04205","25303","Present",NA,NA
+"4206","(2R,3R)-2,3-Diphenyl-6,10-bis[(2-propan-2-ylphenyl)sulfanyl]-1,4-dioxaspiro[4.5]decan-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2r,3r)-6,10-Bis[(2-isopropylphenyl)sulfanyl]-2,3-diphenyl-1,4-dioxaspiro[4.5]decan-8-one",NA,"CC(C)C1=CC=CC=C1SC2CC(=O)CC(C23OC(C(O3)C4=CC=CC=C4)C5=CC=CC=C5)SC6=CC=CC=C6C(C)C","VNWOYHREHMRWSZ-YNPPORQASA-N",397603,NA,"PDBC04206","705944","Present",NA,NA
+"4207","(2R,3R)-2-Amino-3-chloropentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"l-threo-.beta.-Chloroglutamic acid",NA,"C(C(C(C(=O)O)N)Cl)C(=O)O","QAAAJCNONHZRTG-FONMRSAGSA-N",6711441,NA,"PDBC04207","627074","Present",NA,NA
+"4208","(2R,3R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-Ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"""""""""""""""""Leptostatin 2"""""""""""""""" 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta...",NA,"CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1C(C=CC(=O)O1)C)O","WWNRMMIDGQJVCO-MAGMZBKSSA-N",11598010,NA,"PDBC04208","736513","Present",NA,NA
+"4209","(2R,3R)-3-Chloro-2-(phenylmethoxycarbonylamino)pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627069",NA,"C1=CC=C(C=C1)COC(=O)NC(C(CC(=O)O)Cl)C(=O)O","XPURLOVLJBMSTI-KOLCDFICSA-N",6711439,NA,"PDBC04209","627069","Present",NA,NA
+"4210","(2R,3R)-3-[(4R,5S)-2-Oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-2-(phenylmethoxymethyl)cyclobutane-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3R)-3-[(4R,5S)-2-Oxo-4,5-diphenyl-1,3-oxazolidin-3-yl]-2-(phenylmethoxymethyl)cyclobutane-1-carbaldehyde",NA,"C1C(C(C1N2C(C(OC2=O)C3=CC=CC=C3)C4=CC=CC=C4)COCC5=CC=CC=C5)C=O","WWDKUVWIWGURDS-QAWYLDNLSA-N",400575,NA,"PDBC04210","712698","Present",NA,NA
+"4211","(2R,3R,10R,11R)-2,3,10,11-Tetracyclohexyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradeca-6,13-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3R,10R,11R)-2,3,10,11-Tetracyclohexyl-1,4,9,12-tetraoxadispiro[4.2.48.25]tetradeca-6,13-diene",NA,"C1CCC(CC1)C2C(OC3(O2)C=CC4(C=C3)OC(C(O4)C5CCCCC5)C6CCCCC6)C7CCCCC7","HLACHQWMLAKYRJ-SEVDZJIVSA-N",404473,NA,"PDBC04211","720705","Present",NA,NA
+"4212","(2R,3R,4S,5E)-5-[(6-Chloropyridazin-3-yl)hydrazinylidene]pentane-1,2,3,4-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3R,4S,5E)-5-[(6-Chloropyridazin-3-yl)hydrazinylidene]pentane-1,2,3,4-tetrol",NA,"C1=CC(=NN=C1NN=CC(C(C(CO)O)O)O)Cl","XWFWRUGPCUVMQT-BPPRACIMSA-N",9572168,NA,"PDBC04212","706195","Present",NA,NA
+"4213","(2R,3R,4S,5R)-2-(5,6-Dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzimidazole, 5,6-dichloro-1-.beta.-d-ribofuranosyl- (8ci)",NA,"C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C3C(C(C(O3)CO)O)O","XHSQDZXAVJRBMX-UHFFFAOYSA-N",3165,NA,"PDBC04213","401575","Present",NA,NA
+"4214","(2R,3R,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3R,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol",NA,"COP1(=O)C(C(C(O1)C2=CC=CC=C2)O)(C3=CC=CC=C3)O","QEPMUCMTLZPSSO-DUQZYUJVSA-N",9572207,NA,"PDBC04214","707215","Present",NA,NA
+"4215","(2R,3R,5S)-2-[(1R,2S)-1-Hydroxy-2-methyl-6-oxoheptyl]-5-[(2R)-2-methyl-5-oxooxolan-2-yl]oxolane-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3R,5S)-2-[(1R,2S)-1-Hydroxy-2-methyl-6-oxoheptyl]-5-[(2R)-2-methyl-5-oxooxolan-2-yl]oxolane-3-carboxylic acid",NA,"CC(CCCC(=O)C)C(C1C(CC(O1)C2(CCC(=O)O2)C)C(=O)O)O","UMSORIHRNFLKKX-UYQUXKDSSA-N",392900,NA,"PDBC04215","694078","Present",NA,NA
+"4216","(2R,3R,5S,7R,9S,17S)-2-Hydroxy-17-methyl-4,8-dioxahexacyclo[10.7.0.02,9.03,5.07,9.013,17]nonadecane-6,16-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10.beta.-Hydroxy-1.beta.,2.beta.,4.beta.,5.beta.diepoxye...",NA,"CC12CCC3C(C1CCC2=O)CCC45C3(C6C(O6)C(=O)C4O5)O","WRJUMUPFNVUKPZ-YDZBUUAESA-N",404217,NA,"PDBC04216","720384","Present",NA,NA
+"4217","(2R,3R,6R)-6-(2-Hydroxyphenyl)sulfanyl-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2r,3r,6r)-6-(2-Hydroxyphenyl)sulfanyl-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-8-one",NA,"C1C(C2(C=CC1=O)OC(C(O2)C3=CC=CC=C3)C4=CC=CC=C4)SC5=CC=CC=C5O","MVOSDBCIDUUTEH-UBFVSLLYSA-N",397604,NA,"PDBC04217","705945","Present",NA,NA
+"4218","(2R,3S)-1-(1-Adamantyl)-3-(3-chlorophenyl)-2,3-dihydroxypropan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2r,3s)-1-(1-Adamantyl)-3-(3-chlorophenyl)-2,3-dihydroxy-propan-1-one",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)C(C(C4=CC(=CC=C4)Cl)O)O","VLCUXHGLDBUBFO-FAVSCLIXSA-N",397869,NA,"PDBC04218","706493","Present",NA,NA
+"4219","(2R,3S)-1-(1-Adamantyl)-3-(4-bromophenyl)-2,3-dihydroxypropan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2r,3s)-1-(1-Adamantyl)-3-(4-bromophenyl)-2,3-dihydroxy-propan-1-one",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)C(C(C4=CC=C(C=C4)Br)O)O","XXLSTAVVVFDHSC-FAVSCLIXSA-N",397870,NA,"PDBC04219","706494","Present",NA,NA
+"4220","(2R,3S)-2-Amino-3-chloropentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"l-erythro-.beta.-Chloroglutamic acid",NA,"C(C(C(C(=O)O)N)Cl)C(=O)O","QAAAJCNONHZRTG-OKKQSCSOSA-N",6711440,NA,"PDBC04220","627073","Present",NA,NA
+"4221","(2R,3S)-2-Hydroxy-3-(benzoylamino)-3-[3-(dimethylamino)phenyl]propionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotax-11-en-13alpha-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-3-[3-(dimethylamino)phenyl]-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.0",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC(=CC=C5)N(C)C)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","WZCDCLFHIZTMLL-XOVTVWCYSA-N",383474,NA,"PDBC04221","671866","Present",NA,NA
+"4222","(2R,3S)-2-Hydroxy-3-[4-(dimethylamino)benzoylamino]-3-phenylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-5beta,20-epoxy-9-oxotax-11-en-13alpha-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[[4-(dimethylamino)benzoyl]amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)N(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","UREKCZIZJLHKBK-XOVTVWCYSA-N",384068,NA,"PDBC04222","673193","Present",NA,NA
+"4223","(2R,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-Ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"?Leptostatin 4? 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta...",NA,"CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1C(C=CC(=O)O1)C)O","WWNRMMIDGQJVCO-ZSQVVOHQSA-N",11670014,NA,"PDBC04223","736870","Present",NA,NA
+"4224","(2R,3S)-3-(Benzoylamino)-2-hydroxy-3-cyclohexylpropionic acid 1,7beta-dihydroxy-2alpha-(benzoyloxy)-4,10beta-diacetoxy-9-oxo-5beta,20-epoxytaxa-11-ene-13alpha-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5CCCCC5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","GSZKRMXIBMHPPX-MZXODVADSA-N",383476,NA,"PDBC04224","671868","Present",NA,NA
+"4225","(2R,3S)-5-(1H-Benzimidazol-2-yl)-4-oxo-2-phenylthiolane-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2r,3s)-5-(1h-Benzimidazol-2-yl)-4-oxo-2-phenyl-tetrahydrothiophene-3-carbonitrile",NA,"C1=CC=C(C=C1)C2C(C(=O)C(S2)C3=NC4=CC=CC=C4N3)C#N","ZZSIAPFVWAHSQZ-UBZWXBNLSA-N",396905,NA,"PDBC04225","704084","Present",NA,NA
+"4226","(2R,3S,4R,7R)-4-[2-(Furan-3-yl)ethyl]-4-(hydroxymethyl)-3,8,8-trimethyl-1,2,3,5,6,7-hexahydronaphthalene-2,7-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3S,4R,7R)-4-[2-(Furan-3-yl)ethyl]-4-(hydroxymethyl)-3,8,8-trimethyl-1,2,3,5,6,7-hexahydronaphthalene-2,7-diol",NA,"CC1C(CC2=C(C1(CCC3=COC=C3)CO)CCC(C2(C)C)O)O","ZOJSRVMXMKVRGV-LCPZFUNLSA-N",390645,NA,"PDBC04226","688248","Present",NA,NA
+"4227","(2R,3S,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3S,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol",NA,"COP1(=O)C(C(C(O1)C2=CC=CC=C2)O)(C3=CC=CC=C3)O","QEPMUCMTLZPSSO-FENNVDPPSA-N",9572206,NA,"PDBC04227","707214","Present",NA,NA
+"4228","(2R,4Ar,7R,8aR)-4,4,7-trimethyl-2-[(1R)-1-phenylmethoxyethyl]-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxathiine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2r,4Ar,7r,8ar)-2-[(1r)-1-(benzyloxy)ethyl]-4,4,7-trimethylhexahydro-4h-1,3-benzoxathiine",NA,"CC1CCC2C(C1)OC(SC2(C)C)C(C)OCC3=CC=CC=C3","ULRUJYAJIOLCPB-POGZOPGASA-N",396283,NA,"PDBC04228","701980","Present",NA,NA
+"4229","(2R,4Ar,7R,8aR)-4,4,7-trimethyl-2-[(1S)-1-phenylmethoxyethyl]-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxathiine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,4Ar,7R,8aR)-4,4,7-trimethyl-2-[(1S)-1-phenylmethoxyethyl]-4a,5,6,7,8,8a-hexahydrobenzo[e][1,3]oxathiine",NA,"CC1CCC2C(C1)OC(SC2(C)C)C(C)OCC3=CC=CC=C3","ULRUJYAJIOLCPB-CSFFLVESSA-N",396282,NA,"PDBC04229","701981","Present",NA,NA
+"4230","(2R,4Ar,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,4Ar,8aS)-2,5,5,8a-tetramethyl-1-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalene-2,6-diol",NA,"CC(=CCC1C2(CCC(C(C2CCC1(C)O)(C)C)O)C)C=C","VAYVUHXFSZQOQZ-JBAJEZBHSA-N",5469433,NA,"PDBC04230","687960","Present",NA,NA
+"4231","(2R,4R)-2,6,6-Trimethyl-4-pentadecyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,4R)-2,6,6-Trimethyl-4-pentadecyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide",NA,"CCCCCCCCCCCCCCCC1C[N+](CCOP(=O)(O1)C)(C)C.[Br-]","JMQIBMOTGMRNKZ-OHHMFLEWSA-M",9572011,NA,"PDBC04231","688027","Present",NA,NA
+"4232","(2R,4S)-3,4-O-Diacetyl-3,4-dihydroxy-2-(p-methoxybenzyl)-pyrrolidine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3S,4S)-3,4-O-Diacetyl-3,4-dihydroxy-2-(p-methoxybenz...",NA,"CC(=O)OC1CNC(C1OC(=O)C)CC2=CC=C(C=C2)OC.Cl","FLHFNFSZRQPOEQ-BZSDZJHCSA-N",397720,NA,"PDBC04232","706126","Present",NA,NA
+"4233","(2R,4S,6R)-2-[[(4S,6R)-6-(Bromomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-(2-phenylmethoxyethyl)oxan-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,4S,6R)-2-[[(4S,6R)-6-(Bromomethyl)-2,2-dimethyl-1,3-dioxan-4-yl]methyl]-6-(2-phenylmethoxyethyl)oxan-4-ol",NA,"CC1(OC(CC(O1)CBr)CC2CC(CC(O2)CCOCC3=CC=CC=C3)O)C","MTJUATBEVJNFLW-XIYVOTBMSA-N",396369,NA,"PDBC04233","702312","Present",NA,NA
+"4234","(2R,5-Diol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,5R)-2-palmitoylamido-(3E)-octadecen-1,5-diol)",NA,"CCCCCCCCCCCCCCCC(=O)NC(CO)C=CC(CCCCCCCCCCCCC)O","IGYXOUPDSVKAOE-YPJDGMCUSA-N",54612643,NA,"PDBC04234","726458","Present",NA,NA
+"4235","(2R,5R,1'S)-5-Benzyloxy-4-(2-methylpropyl)-2-oxo-N-(1'-phenylethyl)-1,2,3-oxathiazinan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,4S,5R,1'S)-5-Benzyloxy-4-(2-methylpropyl)-2-oxo-N-(1...",NA,"CC(C)CC1C(COS(=O)N1C(C)C2=CC=CC=C2)OCC3=CC=CC=C3","LYVCRTOMABRGLI-MEAJBNMQSA-N",392658,NA,"PDBC04235","693237","Present",NA,NA
+"4236","(2R,5R,6R)-6-Methyl-5-(6-methylheptan-2-yl)-1,11-diazatetracyclo[8.7.0.02,6.012,17]heptadeca-10,12,14,16-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,5R,6R)-6-Methyl-5-(6-methylheptan-2-yl)-1,11-diazatetracyclo[8.7.0.02,6.012,17]heptadeca-10,12,14,16-tetraene",NA,"CC(C)CCCC(C)C1CCC2C1(CCCC3=NC4=CC=CC=C4N23)C","DJCDFKDZUBBRSO-XUGLEDAESA-N",403829,NA,"PDBC04236","719363","Present",NA,NA
+"4237","(2R,5R,6R)-6-Methyl-5-(6-methylheptan-2-yl)-13-phenyl-1,11,12-triazatricyclo[8.3.0.02,6]trideca-10,12-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,5R,6R)-6-Methyl-5-(6-methylheptan-2-yl)-13-phenyl-1,11,12-triazatricyclo[8.3.0.02,6]trideca-10,12-diene",NA,"CC(C)CCCC(C)C1CCC2C1(CCCC3=NN=C(N23)C4=CC=CC=C4)C","MVNRLLFNEVJWNW-DSANBWLUSA-N",403832,NA,"PDBC04237","719366","Present",NA,NA
+"4238","(2R,6R)-11-Bromo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,6R)-11-Bromo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione",NA,"C1=C2C(=C(S1)Br)C3C(C2=O)OC(=O)N3","BYEXGAYMVDZOHW-INEUFUBQSA-N",400217,NA,"PDBC04238","711735","Present",NA,NA
+"4239","(2R,6R)-9,11-Dibromo-10-thia-3,5-diazatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,6R)-9,11-Dibromo-10-thia-3,5-diazatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione",NA,"C12C(C(=O)C3=C(SC(=C31)Br)Br)NC(=O)N2","KOESKBCJGMORCR-QWWZWVQMSA-N",400215,NA,"PDBC04239","711733","Present",NA,NA
+"4240","(2R,6R)-9,11-Dibromo-3-oxa-10-thia-5-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,6R)-9,11-Dibromo-3-oxa-10-thia-5-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione",NA,"C12C(C3=C(SC(=C3C1=O)Br)Br)OC(=O)N2","QTMOAZOFQWGGSA-WVZVXSGGSA-N",399280,NA,"PDBC04240","709969","Present",NA,NA
+"4241","(2R,6R)-9,11-Dibromo-4-sulfanylidene-3-oxa-10-thia-5-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Thieno[3',4':3,4]cyclopent[1,2-d]oxazol-7-one, 4,6-di...",NA,"C12C(C3=C(SC(=C3C1=O)Br)Br)OC(=S)N2","UISCDXVFACZDIU-WVZVXSGGSA-N",5471246,NA,"PDBC04241","709971","Present",NA,NA
+"4242","(2R,6R)-9,11-Dibromo-4-sulfanylidene-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,6R)-9,11-Dibromo-4-sulfanylidene-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-7-one",NA,"C12C(C(=O)C3=C(SC(=C31)Br)Br)OC(=S)N2","QDHFASGVDRQOFS-NQXXGFSBSA-N",5471245,NA,"PDBC04242","709970","Present",NA,NA
+"4243","(2R,6S,8R,12S)-4,10-Diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,6S,8R,12S)-4,10-Diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone",NA,"C1=CC2C3C(C1C4C2C(=O)NC4=O)C(=O)NC3=O","QTZADOOBSBOMLI-MRQPTWQJSA-N",339504,NA,"PDBC04243","366369","Present",NA,NA
+"4244","(2S)-(+)-Glycidyl tosylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-(+)-Glycidyl tosylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCC2CO2","NOQXXYIGRPAZJC-VIFPVBQESA-N",153296,NA,"PDBC04244","636971","Present",NA,NA
+"4245","(2S)-1-(4-Tert-butylphenyl)sulfonyl-5-[3-[(5S)-1-(4-tert-butylphenyl)sulfonyl-5-carboxypyrrolidin-2-yl]phenyl]pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-1-(4-Tert-butylphenyl)sulfonyl-5-[3-[(5S)-1-(4-tert-butylphenyl)sulfonyl-5-carboxypyrrolidin-2-yl]phenyl]pyrrolidine-2-carboxylic acid",NA,"CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C(CCC2C(=O)O)C3=CC(=CC=C3)C4CCC(N4S(=O)(=O)C5=CC=C(C=C5)C(C)(C)C)C(=O)O","FHIHOXXPICFDHS-FBVYBBNNSA-N",401980,NA,"PDBC04245","715669","Present",NA,NA
+"4246","(2S)-1-(alpha-Methylbenzyloxy)-2alpha,5beta-diphenyl-2,5-dimethylpyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,5S)-2,5-Dimethyl-2,5-diphenyl-1-(1-phenylethoxy)pyrrolidine",NA,"CC(C1=CC=CC=C1)ON2C(CCC2(C)C3=CC=CC=C3)(C)C4=CC=CC=C4","INQXAJZMLNZJKF-RMFXBNNXSA-N",6712808,NA,"PDBC04246","714200","Present",NA,NA
+"4247","(2S)-1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid",NA,"COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCCCC5C(=O)O)OCO4","ZYUSPOJDSQTADH-FQEVSTJZSA-N",24205343,NA,"PDBC04247","735207","Present",NA,NA
+"4248","(2S)-1-[(2-Phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-1-[(2-Phenylmethoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-2-carboxylic acid",NA,"C1CCN(C(C1)C(=O)O)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6","BDDNZLVIKIKTNJ-SANMLTNESA-N",24205345,NA,"PDBC04248","735209","Present",NA,NA
+"4249","(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]propanoyl]-N-[(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-1-[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-methylamino]propanoyl]-N-[(2,4-dimethoxyphenyl)methyl]pyrrolidine-2-c",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C)C(=O)N1CCCC1C(=O)NCC2=C(C=C(C=C2)OC)OC)NC(=O)C(C(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4","IGMWBEZAKYOYEJ-BTAISYOBSA-N",397362,NA,"PDBC04249","704972","Present",NA,NA
+"4250","(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-N-[(3,4-dimethoxyphenyl)methyl]pyrrolidine-2-ca",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC3=CC(=C(C=C3)OC)OC)NC(=O)C(C(C)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5","NGCXRJSQAWKLDM-AVLBDWFCSA-N",397355,NA,"PDBC04250","704965","Present",NA,NA
+"4251","(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrroli",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)NCC2=CC(=C(C=C2)OC)OC)NC(=O)C(C(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4","JQBPYGLCDHSEEV-DRBWZFHRSA-N",5470782,NA,"PDBC04251","704969","Present",NA,NA
+"4252","(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(Dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-N-methylpyrrolidine-",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4","LOJKHESIOIDGES-JEHWFKLGSA-N",397357,NA,"PDBC04252","704967","Present",NA,NA
+"4253","(2S)-1-[(2S)-3-Benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-1-[(2S)-3-Benzoylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid",NA,"CC(CSC(=O)C1=CC=CC=C1)C(=O)N2C(CC3=CC=CC=C32)C(=O)O","YTQUHORAJYMUKY-DYVFJYSZSA-N",5351342,NA,"PDBC04253","604535","Present",NA,NA
+"4254","(2S)-1-[Bis(1,3-benzodioxol-5-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxo-",NA,"C1CC(=O)N(C1C(=O)O)C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5","YIVPUSMJOZJIRH-ZDUSSCGKSA-N",384215,NA,"PDBC04254","673620","Present",NA,NA
+"4255","(2S)-2,6-Diamino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2,6-Diamino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride",NA,"CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C(CCCCN)N.Cl","CHXMYMRBHHYBQG-RSAXXLAASA-N",396808,NA,"PDBC04255","703783","Present",NA,NA
+"4256","(2S)-2,6-Diamino-N-[4-(1,3-benzothiazol-2-yl)phenyl]hexanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2,6-Diamino-N-[4-(1,3-benzothiazol-2-yl)phenyl]hexanamide;hydrochloride",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C(CCCCN)N.Cl","GORSODYPBKSSFY-RSAXXLAASA-N",396806,NA,"PDBC04256","703782","Present",NA,NA
+"4257","(2S)-2,6-Diamino-N-[4-(5-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexanamide, 2,6-diamino-N-[2-methyl-4-(5-fluoro-2-benzo ...",NA,"CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)NC(=O)C(CCCCN)N.Cl","GHGASIKBHQCYKZ-RSAXXLAASA-N",399464,NA,"PDBC04257","710305","Present",NA,NA
+"4258","(2S)-2-(3-Aminopropyl)-5-(2,5-difluorophenyl)-N-methoxy-N-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772254///NSC772255",NA,"CN(C(=O)N1C(SC(=N1)C2=C(C=CC(=C2)F)F)(CCCN)C3=CC=CC=C3)OC","LLXISKGBWFTGEI-UHFFFAOYSA-N",46189839,NA,"PDBC04258","772254///772255","Present",NA,NA
+"4259","(2S)-2-(Carbazole-9-carbonylamino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649031",NA,"CC(C(=O)O)NC(=O)N1C2=CC=CC=C2C3=CC=CC=C31","OQAXDYJOGFJALA-JTQLQIEISA-N",5467240,NA,"PDBC04259","649031","Present",NA,NA
+"4260","(2S)-2-(Diethylcarbamoylamino)-N,4-dimethylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694853",NA,"CCN(CC)C(=O)NC(CC(C)C)C(=O)NC","UACOYYWEUSBXRP-JTQLQIEISA-N",393226,NA,"PDBC04260","694853","Present",NA,NA
+"4261","(2S)-2-(Diethylcarbamoylamino)-N-methyl-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694854",NA,"CCN(CC)C(=O)NC(CC1=CC=CC=C1)C(=O)NC","QFZLGOJXZRXGAX-ZDUSSCGKSA-N",393227,NA,"PDBC04261","694854","Present",NA,NA
+"4262","(2S)-2-Acetamido-3-(5-hydroxypyridin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Acetamido-3-(5-hydroxypyridin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide",NA,"CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC=CC=C2OC","YWPKDQOCAMCDCF-INIZCTEOSA-N",398144,NA,"PDBC04262","707571","Present",NA,NA
+"4263","(2S)-2-Acetamido-3-(5-hydroxypyridin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Acetamido-3-(5-hydroxypyridin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide",NA,"CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC=C(C=C2)OC","BQLHNDBMJYQPHS-KRWDZBQOSA-N",398142,NA,"PDBC04263","707569","Present",NA,NA
+"4264","(2S)-2-Acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-hydroxypyridin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Acetamido-N-(1,3-benzodioxol-5-ylmethyl)-3-(5-hydroxypyridin-2-yl)propanamide",NA,"CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC3=C(C=C2)OCO3","KTJYOWBDKSXNED-HNNXBMFYSA-N",398139,NA,"PDBC04264","707566","Present",NA,NA
+"4265","(2S)-2-Acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Acetamido-N-[(3,4-dimethoxyphenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide",NA,"CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC(=C(C=C2)OC)OC","UABNPXWSUKWVQX-INIZCTEOSA-N",398140,NA,"PDBC04265","707567","Present",NA,NA
+"4266","(2S)-2-Acetamido-N-[(3,5-dimethoxyphenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Acetamido-N-[(3,5-dimethoxyphenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide",NA,"CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC(=CC(=C2)OC)OC","XAMCBKGDBSQAJC-SFHVURJKSA-N",398145,NA,"PDBC04266","707572","Present",NA,NA
+"4267","(2S)-2-Acetamido-N-[(3-chlorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Acetamido-N-[(3-chlorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide",NA,"CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC(=CC=C2)Cl","AWHOJAPVQRXIFY-INIZCTEOSA-N",398141,NA,"PDBC04267","707568","Present",NA,NA
+"4268","(2S)-2-Acetamido-N-[(3-fluorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Acetamido-N-[(3-fluorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide",NA,"CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC(=CC=C2)F","BBGVBQQNZWJFJL-INIZCTEOSA-N",398143,NA,"PDBC04268","707570","Present",NA,NA
+"4269","(2S)-2-Acetamido-N-[(4-chlorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Acetamido-N-[(4-chlorophenyl)methyl]-3-(5-hydroxypyridin-2-yl)propanamide",NA,"CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NCC2=CC=C(C=C2)Cl","CBUWEDXPRGHSPW-INIZCTEOSA-N",398138,NA,"PDBC04269","707565","Present",NA,NA
+"4270","(2S)-2-Acetamido-N-cyclohexyl-3-(5-hydroxypyridin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Acetamido-N-cyclohexyl-3-(5-hydroxypyridin-2-yl)propanamide",NA,"CC(=O)NC(CC1=NC=C(C=C1)O)C(=O)NC2CCCCC2","WZOZIHCQAMTOEF-HNNXBMFYSA-N",398137,NA,"PDBC04270","707564","Present",NA,NA
+"4271","(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]propanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]propanamide;hydrochloride",NA,"CC(C(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Cl)N.Cl","UJGQFFBTGMERIK-FVGYRXGTSA-N",5470638,NA,"PDBC04271","703779","Present",NA,NA
+"4272","(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride",NA,"CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C(C)N.Cl","YOXAXSQGEONROX-MERQFXBCSA-N",396804,NA,"PDBC04272","703781","Present",NA,NA
+"4273","(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Amino-N-[4-(1,3-benzothiazol-2-yl)phenyl]propanamide;hydrochloride",NA,"CC(C(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N.Cl","RAEOYAWCDHBJFA-PPHPATTJSA-N",5470640,NA,"PDBC04273","703780","Present",NA,NA
+"4274","(2S)-2-Amino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Amino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]propanamide;hydrochloride",NA,"CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)NC(=O)C(C)N.Cl","IBPMBMPCCBMOEJ-PPHPATTJSA-N",54611546,NA,"PDBC04274","709924","Present",NA,NA
+"4275","(2S)-2-Hydroxy-2-(2-phenyl-2-propenyl)-3-oxo-5-(4-chlorophenyl)-4-pentenoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S,E)-methyl 5-(4-chlorophenyl)-2-hydroxy -3-oxo-2-(2-ph...",NA,"COC(=O)C(CC(=C)C1=CC=CC=C1)(C(=O)C=CC2=CC=C(C=C2)Cl)O","AKBKOLFCKLWLEW-BGVYSJOJSA-N",102142403,NA,"PDBC04275","781411","Present",NA,NA
+"4276","(2S)-2-Hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(1-methylindol-3-yl)-2-[(2S)-2,3,4-trihydroxyoxolan-2-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Hydroxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(1-methylindol-3-yl)-2-[(2S)-2,3,4-trihydroxyoxolan-2-yl]propanamide",NA,"CN1C=C(C2=CC=CC=C21)CC(C(=O)NCCC3=CNC4=C3C=C(C=C4)OC)(C5(C(C(CO5)O)O)O)O","MVDWOYKWVHMCGC-ZGSTZISKSA-N",6711954,NA,"PDBC04276","649058","Present",NA,NA
+"4277","(2S)-2-Nitramidopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630147",NA,"CC(C(=O)N)N[N+](=O)[O-]","XEDBNFGESPJTJH-REOHCLBHSA-N",6711517,NA,"PDBC04277","630147","Present",NA,NA
+"4278","(2S)-2-Phenyl-2-(1-pyridin-2-ylbut-3-enylamino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Phenyl-2-(1-pyridin-2-ylbut-3-enylamino)ethanol",NA,"C=CCC(C1=CC=CC=N1)NC(CO)C2=CC=CC=C2","WXWUNEJPRKGNKM-ZYMOGRSISA-N",24205353,NA,"PDBC04278","735302","Present",NA,NA
+"4279","(2S)-2-Phenyl-2-(1-quinolin-2-ylbut-3-enylamino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Phenyl-2-(1-quinolin-2-ylbut-3-enylamino)ethanol",NA,"C=CCC(C1=NC2=CC=CC=C2C=C1)NC(CO)C3=CC=CC=C3","LOTCPSFNWDPBBI-VGAJERRHSA-N",24205355,NA,"PDBC04279","735304","Present",NA,NA
+"4280","(2S)-2-Phenylsulfanylcyclopentan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625050",NA,"C1CC(C(C1)SC2=CC=CC=C2)O","JIAWDQCLDCXYTK-DTIOYNMSSA-N",361783,NA,"PDBC04280","625050","Present",NA,NA
+"4281","(2S)-2-[(2R,3S)-2-[(E)-2-(3-Bromophenyl)ethenyl]-4-oxo-3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]azetidin-1-yl]-5-(4-cyclopentylpiperazin-1-yl)-5-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-2-((2R,3S)-2-((E)-3-bromostyryl)-3-((S)-4-isopropyl-...",NA,"CC(C)C1COC(=O)N1C2C(N(C2=O)C(CCC(=O)N3CCN(CC3)C4CCCC4)C(=O)NC5CCCC6=CC=CC=C56)C=CC7=CC(=CC=C7)Br","SZLYDSMDVSEFDL-WOHTWVJZSA-N",155808675,NA,"PDBC04281","782883","Present",NA,NA
+"4282","(2S)-2-[(4-Benzamidophenyl)sulfonylamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627214",NA,"CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","XFZWVVHQYZGKPH-NSHDSACASA-N",6711448,NA,"PDBC04282","627214","Present",NA,NA
+"4283","(2S)-2-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-(triethylsilyloxymethyl)-3H-pyran-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-6-triethylsilanyloxy...",NA,"CC[Si](CC)(CC)OCC1(CC=CC(=O)O1)C2COC(O2)(C)C","BKKIIDWNWLFUNR-YOEHRIQHSA-N",406740,NA,"PDBC04283","725020","Present",NA,NA
+"4284","(2S)-2-[(4S)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2-(trityloxymethyl)-3H-pyran-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6s)-6-[(4s)-2,2-Dimethyl-1,3-dioxolan-4-yl]-6-[(trityloxy)methyl]-5,6-dihydro-2h-pyran-2-one",NA,"CC1(OCC(O1)C2(CC=CC(=O)O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C","PXFZTTVSWRZZFT-WNJJXGMVSA-N",403294,NA,"PDBC04284","718000","Present",NA,NA
+"4285","(2S)-2-[(Benzyloxy)methoxy]propan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BJFTYJDLXIBFGW-JTQLQIEISA-N",NA,"CC(CO)OCOCC1=CC=CC=C1","BJFTYJDLXIBFGW-JTQLQIEISA-N",6711346,NA,"PDBC04285","620574","Present",NA,NA
+"4286","(2S)-2-[1-[1-(4-Methylphenyl)sulfonylindol-3-yl]but-3-enylamino]-2-phenylethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-[1-[1-(4-Methylphenyl)sulfonylindol-3-yl]but-3-enylamino]-2-phenylethanol",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(CC=C)NC(CO)C4=CC=CC=C4","UCHUFZZTDAHJQQ-FXDYGKIASA-N",24204669,NA,"PDBC04286","732429","Present",NA,NA
+"4287","(2S)-2-[1-[1-[(2S)-2-Hydroxypropanoyl]pyrrolidin-2-yl]-1-oxopropan-2-yl]-N-[(4S,5R,8S,11S,17S,20S,22S)-29-methoxy-8-[(4-methoxyphenyl)methyl]-5,9,20-trimethyl-17-(2-methylpropyl)-3,7,10,16,19,21,24-heptaoxo-22-propan-2-yl-6,23-dioxa-2,9,15,18-tetrazatricyclo[23.3.1.011,15]nonacosa-1(28),25(29),26-trien-4-yl]-4-methylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-[1-[1-[(2S)-2-Hydroxypropanoyl]pyrrolidin-2-yl]-1-oxopropan-2-yl]-N-[(4S,5R,8S,11S,17S,20S,22S)-29-methoxy-8-[(4-methoxyphenyl)methyl]-5,9,20-trimethyl-17-(2-methylpropyl)-3,7,10,16,19,21,24-he",NA,"CC1C(C(=O)NC2=CC=CC(=C2OC)C(=O)OC(C(=O)C(C(=O)NC(C(=O)N3CCCC3C(=O)N(C(C(=O)O1)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)NC(=O)C(CC(C)C)C(C)C(=O)C5CCCN5C(=O)C(C)O","XHMBJYWSAQWKED-ZRHRTSRVSA-N",384479,NA,"PDBC04287","674283","Present",NA,NA
+"4288","(2S)-2-[2,2-Bis(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-[2,2-Bis(4-chlorophenyl)ethyl]-2-(4-chlorophenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)NC(S1)(CC(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","SQWHKDIMHIMGKT-QHCPKHFHSA-N",402438,NA,"PDBC04288","716408","Present",NA,NA
+"4289","(2S)-2-[2-(2-Furyl)-3-[(E)-1-formyl-2-(2-furyl)ethenyl]-4-oxo-5-[(E)-(2-furyl)methylene]-2-pyrroline-1-yl]propionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-[(5E)-2-(Furan-2-yl)-5-(furan-2-ylmethylidene)-3-[(E)-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]-4-oxopyrrol-1-yl]propanoic acid",NA,"CC(C(=O)O)N1C(=CC2=CC=CO2)C(=O)C(=C1C3=CC=CO3)C(=CC4=CC=CO4)C=O","WKLHCENPFNYZSQ-SINHFACSSA-N",5471005,NA,"PDBC04289","707100","Present",NA,NA
+"4290","(2S)-2-[[(2R)-2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-[[(2R)-2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoic acid;2,2,2-trifluoroacetic acid",NA,"CC(C)C(C(=O)O)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O","DIDWHPRQEHTHEO-RCPFAERMSA-N",390387,NA,"PDBC04290","687743","Present",NA,NA
+"4291","(2S)-2-[[4-[[6-(Ureidocarbonyl)-2-pyridinyl]methylamino]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2s)-2-[[4-[(6-Allophanoyl-2-pyridyl)methylamino]benzoyl]amino]pentanedioic acid",NA,"C1=CC(=NC(=C1)C(=O)NC(=O)N)CNC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O","POYZJQVSNARVFS-HNNXBMFYSA-N",396927,NA,"PDBC04291","704108","Present",NA,NA
+"4292","(2S)-2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3H-pyran-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(tert-Butyl-dimethyl-silanyloxymethyl)-6-(2,2-dimethyl...",NA,"CC1(OCC(O1)C2(CC=CC(=O)O2)CO[Si](C)(C)C(C)(C)C)C","KBKQNEYWWZFIAS-GUYCJALGSA-N",406739,NA,"PDBC04292","725019","Present",NA,NA
+"4293","(2S)-2-[[Tert-butyl(diphenyl)silyl]oxymethyl]-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3H-pyran-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(tert-Butyl-diphenyl-silanyloxymethyl)-6-(2,2-dimethyl...",NA,"CC1(OCC(O1)C2(CC=CC(=O)O2)CO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C","CKLSONDRMXDWPP-HOFKKMOUSA-N",406737,NA,"PDBC04293","725017","Present",NA,NA
+"4294","(2S)-2alpha-(3,4-Dihydroxyphenyl)-3beta-(methoxycarbonyl)-7-hydroxy-2,3-dihydrobenzofuran-5-acrylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzofuran-3-carboxylic acid, 2,3-dihydro-7-hydroxy- 2-(...",NA,"COC(=O)C=CC1=CC2=C(C(=C1)O)OC(C2C(=O)OC)C3=CC(=C(C=C3)O)O","HDONJQIYHGHIJV-KCILRPRFSA-N",5468717,NA,"PDBC04294","675003","Present",NA,NA
+"4295","(2S)-2beta-Methyl-4beta-tert-butylcyclohexanone tosyl hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonic acid, 4-methyl-, 2-[4-(1,1-dimethylethyl...",NA,"CC1CC(CCC1=NNS(=O)(=O)C2=CC=C(C=C2)C)C(C)(C)C","CTEFDTSRFYPZRD-PFANNTFUSA-N",54608769,NA,"PDBC04295","673921","Present",NA,NA
+"4296","(2S)-3-(1H-Imidazol-5-yl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2s)-3-(3h-Imidazol-4-yl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CN=CN2)C(=O)O","HRSVCBJRJSATAN-LBPRGKRZSA-N",396498,NA,"PDBC04296","702682","Present",NA,NA
+"4297","(2S)-4-Ethoxy-3H-1,2lambda4,3-benzodithiazole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-4-Ethoxy-3H-1,2lambda4,3-benzodithiazole 2-oxide",NA,"CCOC1=C2C(=CC=C1)SS(=O)N2","HPIAUOFSSALFCB-ZDUSSCGKSA-N",359163,NA,"PDBC04297","619843","Present",NA,NA
+"4298","(2S)-4-Methoxy-3H-1,2lambda4,3-benzodithiazole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-4-Methoxy-3H-1,2lambda4,3-benzodithiazole 2-oxide",NA,"COC1=C2C(=CC=C1)SS(=O)N2","JCONJIVRPRWHFC-LBPRGKRZSA-N",359161,NA,"PDBC04298","619841","Present",NA,NA
+"4299","(2S)-4-[(13R)-13-Hydroxy-13-[(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-4-[(13R)-13-Hydroxy-13-[(5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]-8-oxotridecyl]-2-methyl-2H-furan-5-one",NA,"CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(=O)CCCCCCCC2=CC(OC2=O)C)O)O","RVFWPTBBKKTQCR-ALGQHUMSSA-N",390523,NA,"PDBC04299","687964","Present",NA,NA
+"4300","(2S)-4-[(13S)-13-Hydroxy-13-[(5R)-5-[(5R)-5-[(1S)-1,5,10-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-4-[(13S)-13-Hydroxy-13-[(5R)-5-[(5R)-5-[(1S)-1,5,10-trihydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one",NA,"CC1C=C(C(=O)O1)CCCCCCCCCCCCC(C2CCC(O2)C3CCC(O3)C(CCCC(CCCCC(C)O)O)O)O","NHLVTOZHHUKGNO-BMOUAGQVSA-N",6712448,NA,"PDBC04300","687963","Present",NA,NA
+"4301","(2S)-4-[10-Hydroxy-14-[2-(2-tridecoxyethoxy)ethoxy]tetradecyl]-2-methyl-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5s)-3-[10-Hydroxy-14-[2-(2-tridecoxyethoxy)ethoxy]tetradecyl]-5-methyl-5h-furan-2-one",NA,"CCCCCCCCCCCCCOCCOCCOCCCCC(CCCCCCCCCC1=CC(OC1=O)C)O","GUXUSBYLQOEZCM-ITLBEBSESA-N",390524,NA,"PDBC04301","687965","Present",NA,NA
+"4302","(2S)-5-(4-Cyclohexylpiperazin-1-yl)-5-oxo-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-5-(4-cyclohexylpiperazin-1-yl)-5-oxo-2-((3S,4R)-2-ox...",NA,"C1CCC(CC1)N2CCN(CC2)C(=O)CCC(C(=O)NC3CCCC4=CC=CC=C34)N5C(C(C5=O)N6C(COC6=O)C7=CC=CC=C7)C=CC8=CC=CC=C8","MSQFYXQUXBEVRF-NFSWBMIBSA-N",11621869,NA,"PDBC04302","782569","Present",NA,NA
+"4303","(2S)-6-Isothiocyanato-6-methyl-2-(4-methylcyclohex-3-en-1-yl)heptan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-6-Isothiocyanato-6-methyl-2-(4-methylcyclohex-3-en-1-yl)heptan-2-ol",NA,"CC1=CCC(CC1)C(C)(CCCC(C)(C)N=C=S)O","RDVYKDOKGQHWOJ-WMCAAGNKSA-N",384834,NA,"PDBC04303","675351","Present",NA,NA
+"4304","(2S)-6-Methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-6-Methyl-1-[2-[(Z,5S)-5-tri(propan-2-yl)silyloxyhept-3-enyl]-1,3-dioxolan-2-yl]hept-5-en-2-amine",NA,"CCC(C=CCCC1(OCCO1)CC(CCC=C(C)C)N)O[Si](C(C)C)(C(C)C)C(C)C","QPNVNZDCMTXOQM-FSCWYTIRSA-N",5471934,NA,"PDBC04304","715463","Present",NA,NA
+"4305","(2S)-N'-(1-Benzylpiperidin-4-yl)-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-[(E)-2-phenylethenyl]azetidin-1-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]butanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-3-oxazolidinyl]-...",NA,"C1CN(CCC1NC(=O)CC(C(=O)NCC2=CC(=CC=C2)C(F)(F)F)N3C(C(C3=O)N4C(COC4=O)C5=CC=CC=C5)C=CC6=CC=CC=C6)CC7=CC=CC=C7","GMZITOMLSFONNF-XFKFVYQCSA-N",155816355,NA,"PDBC04305","782885","Present",NA,NA
+"4306","(2S)-N-(Methoxycarbonyl)-N-[(R)-1-butyl-3-phenylpropyl]-2alpha-(methoxymethyl)pyrrolidine-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-N-[(3R)-1-phenylheptan-3-yl]carbamate",NA,"CCCCC(CCC1=CC=CC=C1)N(C(=O)OC)N2CCCC2COC","CHKGCDMGPPZZAL-UXHICEINSA-N",6711330,NA,"PDBC04306","619210","Present",NA,NA
+"4307","(2S)-N-[(2R)-1-(1,3-Benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-N-[(2R)-1-(1,3-Benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolid",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)NCC2=CC3=C(C=C2)OCO3)NC(=O)C(C(C)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5","LHAMVGHPJUENKS-GRUPRJISSA-N",397360,NA,"PDBC04307","704970","Present",NA,NA
+"4308","(2S)-N-[(2R)-1-[(2,4-Dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-N-[(2R)-1-[(2,4-Dimethoxyphenyl)methylamino]-1-oxopropan-2-yl]-N-methyl-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(octanoylamino)butanoyl]amino]butanoyl]amino]butanoyl]pyrroli",NA,"CCCCCCCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)NCC2=C(C=C(C=C2)OC)OC","LHCKSKUDHKMEQN-DYYMYWGBSA-N",397361,NA,"PDBC04308","704971","Present",NA,NA
+"4309","(2S)-N-[(2R)-1-[(4-Chlorophenyl)methylamino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-N-[(2R)-1-[(4-Chlorophenyl)methylamino]-1-oxopropan-2-yl]-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]-N-methylpyrrolidine-",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)NCC2=CC=C(C=C2)Cl)NC(=O)C(C(C)C)N(CC3=CC=CC=C3)CC4=CC=CC=C4","VKUJTODWPXPLNE-JEHWFKLGSA-N",397358,NA,"PDBC04309","704968","Present",NA,NA
+"4310","(2S)-N-[(2S)-1-[2-(5-Methoxy-1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-N-[(2S)-1-[2-(5-Methoxy-1H-indol-3-yl)ethylamino]-1-oxo-3-phenylpropan-2-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide",NA,"CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC)NCC(F)(F)F","ADYDKTLWARMKIO-ZEQRLZLVSA-N",403672,NA,"PDBC04310","718800","Present",NA,NA
+"4311","(2S)-N-[(2S)-3-(4-Hydroxyphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-N-[(2S)-3-(4-Hydroxyphenyl)-1-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-1-oxopropan-2-yl]-3-methyl-2-(2,2,2-trifluoroethylamino)butanamide",NA,"CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCC2=CNC3=C2C=C(C=C3)OC)NCC(F)(F)F","RXERRAZTNYNWFT-ZEQRLZLVSA-N",403673,NA,"PDBC04311","718801","Present",NA,NA
+"4312","(2S)-N-[(2S)-5-Amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-[[(2R)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidine-2-carbonyl]amino]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-N-[(2S)-5-Amino-1-[[(2R)-1-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylprop",NA,"CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C6CCCN6C(=O)C(CCCCN)N","UEYCNOREWRHDGX-ODHDWLPVSA-N",6711298,NA,"PDBC04312","615832","Present",NA,NA
+"4313","(2S,10S)-2,6,6,13-Tetramethyltetracyclo[11.2.1.01,10.02,7]hexadecan-12-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As,11bS)-4,4,9,11b-tetramethyltetradecahydro-9,11a-methanocyclohepta[a]naphthalen-8-ol",NA,"CC1(CCCC2(C1CCC3C24CCC(C4)(C(C3)O)C)C)C","REGKTWSAENSCPF-ULDHTTRGSA-N",371617,NA,"PDBC04313","646015","Present",NA,NA
+"4314","(2S,2Ar,3R,5aR,6R,9S,9aS,9bS,12R)-Decahydro-12-hydroperoxy-3,6,9-trimethyl-13-methylene-7-oxo-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-ylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4R,7R,8R,11S,14R,17S)-14-Hydroperoxy-4,8,11-trimethyl-15-methylidene-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate",NA,"CCCC(=O)OC1(CCC2C(C(=O)OC3(CCC(C(=C)CC4C1C2C3O4)OO)C)C)C","MRBZRDGTPZIYOC-IUROXWAKSA-N",11037490,NA,"PDBC04314","737078","Present",NA,NA
+"4315","(2S,2Ar,3R,5aR,6R,9S,9aS,9bS,12R,13R)-Decahydro-13-hydroxy-12-methoxy-3,6,9,13-tetramethyl-7-oxo-2,9-pentano-2H-furo[2,3,4-ef][3]benzoxepin-3-ylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4R,7R,8R,11S,14R,15R,17S)-15-Hydroxy-14-methoxy-4,8,11,15-tetramethyl-9-oxo-10,18-dioxatetracyclo[9.7.0.02,7.03,17]octadecan-4-yl] butanoate",NA,"CCCC(=O)OC1(CCC2C(C(=O)OC3(CCC(C(CC4C1C2C3O4)(C)O)OC)C)C)C","IPJWOGNRRLDDDL-QMPJCHAXSA-N",11015858,NA,"PDBC04315","737077","Present",NA,NA
+"4316","(2S,3As,4S,5R,6S)-4-(3,4-Dimethoxybenzyl)-2-(1,3-dioxolan-2-yl)-6-[(2,2-diphenylcyclopentyl)oxy]-4-ethylhexahydroisoxazolo[2,3-b][1,2]oxazin-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2S,3As,4S,5R,6S)-4-[(3,4-dimethoxyphenyl)methyl]-2-(1,3-dioxolan-2-yl)-6-(2,2-diphenylcyclopentyl)oxy-4-ethyl-3,3a,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazin-5-yl] acetate",NA,"CCC1(C2CC(ON2OC(C1OC(=O)C)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5)C6OCCO6)CC7=CC(=C(C=C7)OC)OC","ZIQQUOOWXXJFHZ-XSWBJFJKSA-N",395292,NA,"PDBC04316","699773","Present",NA,NA
+"4317","(2S,3R)-2-(p-Tolylsulfonylamino)-3-methyl-4-pentenoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3R)-2-(p-Tolylsulfonylamino)-3-methyl-4-pentenoic acid ethyl ester",NA,"CCOC(=O)C(C(C)C=C)NS(=O)(=O)C1=CC=C(C=C1)C","CXHSCSDHZSXSPA-OCCSQVGLSA-N",403300,NA,"PDBC04317","718006","Present",NA,NA
+"4318","(2S,3R)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-Ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"""""""""""""""""Leptostatin 3"""""""""""""""" 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta...",NA,"CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1C(C=CC(=O)O1)C)O","WWNRMMIDGQJVCO-IALAMJLLSA-N",11655781,NA,"PDBC04318","736784","Present",NA,NA
+"4319","(2S,3R)-3-Amino-2-hydroxy-4-(4-nitrophenyl)butanoyl-L-leucine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3R)-3-Amino-2-hydroxy-4-(4-nitrophenyl)butanoyl-L-le...",NA,"CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=C(C=C1)[N+](=O)[O-])N)O.Cl","CSTSIZFZZXWOTL-UDYGKFQRSA-N",24203255,NA,"PDBC04319","727372","Present",NA,NA
+"4320","(2S,3R,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3R,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol",NA,"COP1(=O)C(C(C(O1)C2=CC=CC=C2)O)(C3=CC=CC=C3)O","QEPMUCMTLZPSSO-LMGVVVSRSA-N",9572208,NA,"PDBC04320","707216","Present",NA,NA
+"4321","(2S,3S)-2,3-Bis[(2-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2s,3s)-2,3-Bis(2-methoxybenzyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one",NA,"COC1=CC=CC=C1CC2C(OC3(O2)C=CC(=O)C=C3)CC4=CC=CC=C4OC","ALSYJBKKJGQEMR-GOTSBHOMSA-N",404471,NA,"PDBC04321","720703","Present",NA,NA
+"4322","(2S,3S)-2,3-Bis[(4-methoxyphenyl)methyl]-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3S)-2,3-bis(p-anisyl)-1,4-dioxaspiro[4.5]deca-6,9-dien-8-one",NA,"COC1=CC=C(C=C1)CC2C(OC3(O2)C=CC(=O)C=C3)CC4=CC=C(C=C4)OC","MMDQHHLSZSNONR-GOTSBHOMSA-N",404472,NA,"PDBC04322","720704","Present",NA,NA
+"4323","(2S,3S)-2,3-Bis[(4-methoxyphenyl)methyl]-6-phenylsulfanyl-1,4-dioxaspiro[4.5]dec-9-en-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2s,3s)-2,3-Bis(4-methoxybenzyl)-10-(phenylsulfanyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one",NA,"COC1=CC=C(C=C1)CC2C(OC3(O2)C=CC(=O)CC3SC4=CC=CC=C4)CC5=CC=C(C=C5)OC","IJQSOOQLODLVKN-ASYYUYISSA-N",404477,NA,"PDBC04323","720709","Present",NA,NA
+"4324","(2S,3S)-2-Hydroxy-2-phenyl-3-p-tolylsulfenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3S)-2-Hydroxy-2-phenyl-3-p-tolylsulfenylbutanamide",NA,"CC1=CC=C(C=C1)SC(C)C(C2=CC=CC=C2)(C(=O)N)O","QQDHDKCUVFNAQU-GUYCJALGSA-N",381957,NA,"PDBC04324","669268","Present",NA,NA
+"4325","(2S,3S)-2-[(1E,3Z,5R,7E,9E,11R,13S,14R,15S)-3-Ethyl-14-hydroxy-5,9,11,13,15-pentamethyl-12-oxoheptadeca-1,3,7,9-tetraenyl]-3-methyl-2,3-dihydropyran-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"?Leptostatin 1? 6-(3-Ethyl-14-hydroxy-5,9,11,13,15-penta...",NA,"CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1C(C=CC(=O)O1)C)O","WWNRMMIDGQJVCO-GVZWOSPISA-N",11634200,NA,"PDBC04325","736989","Present",NA,NA
+"4326","(2S,3S)-2-[(3-Methoxy-5-methyl-1-naphthalenylcarbonyl)oxy]-3-methyl-3,4-epoxybutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3S)-3,4-Epoxy-2-(3-methoxy-5-methyl-1-naphthoyloxy)-...",NA,"CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)N)C3(CO3)C)OC","KDYGKLQSWCCUFT-QAPCUYQASA-N",9927456,NA,"PDBC04326","727012","Present",NA,NA
+"4327","(2S,3S)-3-(1,3-Benzothiazol-2-ylsulfanyl)-5-methylhex-5-en-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3S)-3-(1,3-Benzothiazol-2-ylsulfanyl)-5-methylhex-5-en-2-ol",NA,"CC(C(CC(=C)C)SC1=NC2=CC=CC=C2S1)O","HCKVPGFMPWVUNG-GWCFXTLKSA-N",400556,NA,"PDBC04327","712678","Present",NA,NA
+"4328","(2S,3S)-trans-Epoxysuccinyl-L-leucylamido-3-methylbutane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3S)-trans-Epoxysuccinyl-L-leucylamido-3-methylbutane",NA,"CC(C)CCNC(=O)C(CC(C)C)NC(=O)C1C(O1)C(=O)O","SCMSYZJDIQPSDI-RAMGSTBQSA-N",6712523,NA,"PDBC04328","694279","Present",NA,NA
+"4329","(2S,3S,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3S,4S,5S)-2-Methoxy-2-oxo-3,5-diphenyl-1,2lambda5-oxaphospholane-3,4-diol",NA,"COP1(=O)C(C(C(O1)C2=CC=CC=C2)O)(C3=CC=CC=C3)O","QEPMUCMTLZPSSO-WMUXEFRJSA-N",9572205,NA,"PDBC04329","707213","Present",NA,NA
+"4330","(2S,3S,5R,6S)-5-Bromo-6-(2,5-dioxopyrrolidin-1-yl)bicyclo[2.2.1]heptane-2,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2s,3s,5r,6s)-5-Bromo-6-(2,5-dioxopyrrolidin-1-yl)bicyclo[2.2.1]heptane-2,3-dicarboxylic acid",NA,"C1CC(=O)N(C1=O)C2C3CC(C2Br)C(C3C(=O)O)C(=O)O","DGUWCGCSFBDQTL-FCYJLCSHSA-N",263893,NA,"PDBC04330","98601","Present",NA,NA
+"4331","(2S,3S,7As)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3S,7As)-3-hydroxy-2-[(E)-prop-1-enyl]-2,3,7,7a-tetrahydrofuro[3,4-b]pyran-5-one",NA,"CC=CC1C(C=C2C(O1)COC2=O)O","IYMLXBSWXCVNJO-FLIYXMKFSA-N",24202877,NA,"PDBC04331","726146","Present",NA,NA
+"4332","(2S,3Z)-2-(Iodomethyl)-1-[(4-methoxyphenyl)methyl]-2,5,6,7-tetrahydroazocin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,3Z)-2-(Iodomethyl)-1-[(4-methoxyphenyl)methyl]-2,5,6,7-tetrahydroazocin-8-one",NA,"COC1=CC=C(C=C1)CN2C(C=CCCCC2=O)CI","QXKNMNZHLSNGGS-MFBWXBCUSA-N",5471925,NA,"PDBC04332","715437","Present",NA,NA
+"4333","(2S,4As)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,4As)-1,1,4a-trimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-2-ol",NA,"CC(C)C1=CC2=C(C=C1)C3(CCC(C(C3CC2)(C)C)O)C","WTHUMSLQUHCWCH-AQCCAAQSSA-N",371616,NA,"PDBC04333","646014","Present",NA,NA
+"4334","(2S,4R)-4-Hexadecyl-2,6,6-trimethyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,4R)-4-Hexadecyl-2,6,6-trimethyl-1,3,6,2lambda5-dioxazaphosphocan-6-ium 2-oxide;bromide",NA,"CCCCCCCCCCCCCCCCC1C[N+](CCOP(=O)(O1)C)(C)C.[Br-]","GJVZYQWEUPEDEU-OIVRKFCVSA-M",9571957,NA,"PDBC04334","678145","Present",NA,NA
+"4335","(2S,4R,10S,12R)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(17),5(18),6,8,13,15-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,4R,10S,12R)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(17),5(18),6,8,13,15-hexaene",NA,"C1=CC2=C3C(=C1)C4C(O4)C5=CC=CC(=C53)C6C2O6","ODWIKMRCLCFXPH-SYMSYNOKSA-N",397363,NA,"PDBC04335","705016","Present",NA,NA
+"4336","(2S,4S)-3,9-Dioxatricyclo[4.3.1.02,4]decan-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,4S)-3,9-Dioxatricyclo[4.3.1.02,4]decan-8-one",NA,"C1C2CC(C3C1O3)OC(=O)C2","XINNHNSIWGBMQF-UEFGEUINSA-N",358291,NA,"PDBC04336","618233","Present",NA,NA
+"4337","(2S,5'R)-7-Chloro-4,6-dimethoxy-5'-methyl-3'-phenylmethoxyspiro[1-benzofuran-2,4'-cyclohex-2-ene]-1',3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[benzofuran-2(3H),1'-[2]cyclohexene]-3,4'-dione, 7-...",NA,"CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OCC4=CC=CC=C4","LAWAOYZSUFCPKY-ZLOXQWCVSA-N",25171633,NA,"PDBC04337","768102","Present",NA,NA
+"4338","(2S,5R)-1-Benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,5R)-1-Benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one",NA,"CC(C)(C)C1N(C(=O)C(N1C(=O)C2=CC=CC=C2)CCSC)C","MJXJCPCXJYRRJX-PBHICJAKSA-N",358227,NA,"PDBC04338","618141","Present",NA,NA
+"4339","(2S,5R)-2-[[5-[[(2S,5R)-3,6-Dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]thiophen-2-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,5R)-2-[[5-[[(2S,5R)-3,6-Dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]thiophen-2-yl]methyl]-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazine",NA,"CC(C)C1C(=NC(C(=N1)OC)CC2=CC=C(S2)CC3C(=NC(C(=N3)OC)C(C)C)OC)OC","WDQIDYNBNRXOSH-VNTMZGSJSA-N",397192,NA,"PDBC04339","704599","Present",NA,NA
+"4340","(2S,5R,6R,9R)-2-(3,4-Dimethoxyphenyl)-12,13-dimethoxy-3,8-dioxatetracyclo[8.4.0.02,6.05,9]tetradeca-1(14),10,12-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,5R,6R,9R)-2-(3,4-Dimethoxyphenyl)-12,13-dimethoxy-3,8-dioxatetracyclo[8.4.0.02,6.05,9]tetradeca-1(14),10,12-triene",NA,"COC1=C(C=C(C=C1)C23C4COC(C4CO2)C5=CC(=C(C=C35)OC)OC)OC","UHFKQQZCYSTODS-GYISASMLSA-N",6712625,NA,"PDBC04340","701560","Present",NA,NA
+"4341","(2S,6S,10S)-4,8,12-Trioxo-1,5,9-triazacyclododecane-2,6,10-tricarboxylic acid tribenzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tribenzyl (2S,6S,10S)-4,8,12-trioxo-1,5,9-triazacyclododecane-2,6,10-tricarboxylate",NA,"C1C(NC(=O)CC(NC(=O)CC(NC1=O)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","FQXXRGVBMDYFSQ-QKDODKLFSA-N",5471746,NA,"PDBC04341","713591","Present",NA,NA
+"4342","(2S,6S,10S)-4,8,12-Trioxo-1,5,9-triazacyclododecane-2,6,10-trispropionic acid tribenzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-[(2S,6S,10S)-4,8,12-trioxo-6,10-bis(3-oxo-3-phenylmethoxypropyl)-1,5,9-triazacyclododec-2-yl]propanoate",NA,"C1C(NC(=O)CC(NC(=O)CC(NC1=O)CCC(=O)OCC2=CC=CC=C2)CCC(=O)OCC3=CC=CC=C3)CCC(=O)OCC4=CC=CC=C4","CXJVOQBTVNBPRQ-ZDCRTTOTSA-N",403123,NA,"PDBC04342","717710","Present",NA,NA
+"4343","(2S,6S,7S)-2,3,5,6-Tetrabenzyl-8-oxa-4lambda6-thia-3,5-diazabicyclo[5.1.0]octane 4,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,6S,7S)-2,3,5,6-Tetrabenzyl-8-oxa-4lambda6-thia-3,5-diazabicyclo[5.1.0]octane 4,4-dioxide",NA,"C1=CC=C(C=C1)CC2C3C(O3)C(N(S(=O)(=O)N2CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6","PZLOKVKGSUHYQL-WDJCGXDUSA-N",60147535,NA,"PDBC04343","751478","Present",NA,NA
+"4344","(2S,6S,7S)-9-Tert-butyl-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,6S,7S)-9-Tert-butyl-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","NTRWYAFEAWTYFN-XUBUOLIESA-N",370354,NA,"PDBC04344","643417","Present",NA,NA
+"4345","(2S,6S,7S,12R)-9-Tert-butyl-4-(3-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,6S,7S,12R)-9-Tert-butyl-4-(3-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=CC=C6)OC","GGKCKTWFPOXIFG-HGIIELDVSA-N",370355,NA,"PDBC04345","643418","Present",NA,NA
+"4346","(2S,8S,11R,15R,18R,22R,25R,26S)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,8S,11R,15R,18R,22R,25R,26S)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-t",NA,"CC1C2C(=O)NC(C3=NC(CS3)C(=O)NC(C4=NC(CS4)C(=O)NC(C(=O)N5CCCC5C(=N2)S1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C","OGWIUXZANFLYJB-SGZCCPAPSA-N",390559,NA,"PDBC04346","688045","Present",NA,NA
+"4347","(2S,8S,11R,15R,18R,22S,25S,26R)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,8S,11R,15R,18R,22S,25S,26R)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-27-oxa-13,20-dithia-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,2",NA,"CC1C2C(=O)NC(C3=NC(CS3)C(=O)NC(C4=NC(CS4)C(=O)NC(C(=O)N5CCCC5C(=N2)O1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C","RBBBWKUBQVARPL-WDFQIUHBSA-N",390561,NA,"PDBC04347","688047","Present",NA,NA
+"4348","(2S,8S,11S,15R,18S,22R,25S,26R)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trioxa-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,8S,11S,15R,18S,22R,25S,26R)-8,15-Dibenzyl-26-methyl-22-propan-2-yl-13,20,27-trioxa-6,9,16,23,28,29,30-heptazapentacyclo[23.2.1.111,14.118,21.02,6]triaconta-1(28),14(30),21(29)-triene-7,10,17,24-te",NA,"CC1C2C(=O)NC(C3=NC(CO3)C(=O)NC(C4=NC(CO4)C(=O)NC(C(=O)N5CCCC5C(=N2)O1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C","XIFWNNDMMMRULP-SWQMWMPHSA-N",390560,NA,"PDBC04348","688046","Present",NA,NA
+"4349","(2Z)-1,1-Dioxo-2-[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enylidene]-1,4-thiazinan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-{(2E)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-yl...",NA,"C1CS(=O)(=O)C(=CC=CC2=CC(=CC=C2)C(F)(F)F)C(=O)N1","OYALKTNYHCXLNL-RWVMUBBESA-N",155809470,NA,"PDBC04349","780928","Present",NA,NA
+"4350","(2Z)-1-(2,5-Dichlorophenyl)-3-[(2-oxo-2-phenylethyl)amino]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-Dichloro-phenyl)-3-(2-oxo-2-phenyl-ethylamino)-pr...",NA,"C1=CC=C(C=C1)C(=O)CNC=CC(=O)C2=C(C=CC(=C2)Cl)Cl","PXRSAJIRBPSJKI-HJWRWDBZSA-N",24203487,NA,"PDBC04350","728223","Present",NA,NA
+"4351","(2Z)-1-(4-Chlorophenyl)-2-[(2Z)-2-(p-tolylmethylsulfonylmethylimino)-4H-1,4-benzothiazin-3-ylidene]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(4-Chlorophenyl)-2-[(2Z)-2-[(4-methylphenyl)methylsulfonylmethylimino]-1,4-benzothiazin-3-yl]ethenol",NA,"CC1=CC=C(C=C1)CS(=O)(=O)CN=C2C(=NC3=CC=CC=C3S2)C=C(C4=CC=C(C=C4)Cl)O","ZJRWQMYWVKFYNC-DFUCCVLFSA-N",135509149,NA,"PDBC04351","662448","Present",NA,NA
+"4352","(2Z)-1-(4-Ethoxyphenyl)-2-[(3Z)-3-[2-(4-ethoxyphenyl)-2-oxo-ethylidene]-1,4-dihydroquinoxalin-2-ylidene]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(4-Ethoxyphenyl)-2-[3-[(Z)-2-(4-ethoxyphenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol",NA,"CCOC1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3N=C2C=C(C4=CC=C(C=C4)OCC)O)O","HYBPAVZBUFKADQ-HJTNQMAYSA-N",135432523,NA,"PDBC04352","689824","Present",NA,NA
+"4353","(2Z)-10-Azido-6,7,14,15-tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-10-Azido-6,7,14,15-tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),2,4,6,8,12,14-heptaene",NA,"COC1=C(C=C2C=CC3=CC(=C(C=C3C(CC2=C1)N=[N+]=[N-])OC)OC)OC","ORIWKZIIDDFSKY-WAYWQWQTSA-N",5469850,NA,"PDBC04353","693413","Present",NA,NA
+"4354","(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3aH-thiazolo[3,2-a]quinoxalin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(1,3-Benzodioxol-5-ylmethylene)-3aH-thiazolo[3,2-a]quinoxalin-1-one",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N4C(S3)C=NC5=CC=CC=C54","CWCNTBSFXFZORJ-PXNMLYILSA-N",5388231,NA,"PDBC04354","633957","Present",NA,NA
+"4355","(2Z)-2-(1-Methylpyrrolidin-2-ylidene)pyrrolizine-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(1-Methylpyrrolidin-2-ylidene)pyrrolizine-1,3-dione",NA,"CN1CCCC1=C2C(=O)C3=CC=CN3C2=O","YCEWWCZXNFGMOI-NTMALXAHSA-N",3005362,NA,"PDBC04355","694967","Present",NA,NA
+"4356","(2Z)-2-(1H-Benzimidazol-2-ylhydrazinylidene)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679196",NA,"C1=CC=C2C(=C1)NC(=N2)NN=CC(=O)O","YIDCVQZEQVYQOL-YHYXMXQVSA-N",6104896,NA,"PDBC04356","679196","Present",NA,NA
+"4357","(2Z)-2-(2,5-Dioxoimidazolidin-4-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(2,5-Dioxoimidazolidin-4-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazono]acetamide",NA,"C1=CC=[N+](C=C1)CC(=O)NN=C(C2C(=O)NC(=O)N2)C(=O)N.[Cl-]","HAJUEEDOCDDANF-UHFFFAOYSA-N",9571698,NA,"PDBC04357","646780","Present",NA,NA
+"4358","(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyimino-N-(1,3-thiazol-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(2-Amino-1,3-thiazol-4-yl)-2-methoxyimino-N-(1,3-thiazol-5-yl)acetamide",NA,"CON=C(C1=CSC(=N1)N)C(=O)NC2=CN=CS2","UYPJSSBUJXEBNV-AUWJEWJLSA-N",6288110,NA,"PDBC04358","660848","Present",NA,NA
+"4359","(2Z)-2-(3,4-Dimethoxyphenyl)-2-[(5E)-4-(3,4-dimethoxyphenyl)-5-hydrazinylidene-3-oxooxolan-2-ylidene]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(3,4-Dimethoxyphenyl)-2-[(5E)-4-(3,4-dimethoxyphenyl)-5-hydrazinylidene-3-oxooxolan-2-ylidene]acetonitrile",NA,"COC1=C(C=C(C=C1)C2C(=O)C(=C(C#N)C3=CC(=C(C=C3)OC)OC)OC2=NN)OC","DAFJIKUKUQRKRD-LSRKFPMNSA-N",9569831,NA,"PDBC04359","621162","Present",NA,NA
+"4360","(2Z)-2-(4-Bromophenyl)-2-[4-(4-bromophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(4-Bromophenyl)-2-[4-(4-bromophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetonitrile",NA,"C1=CC(=CC=C1C2=C(C(=C(C#N)C3=CC=C(C=C3)Br)OC2=O)O)Br","GWAWAPZOGFVAHO-SAPNQHFASA-N",54719014,NA,"PDBC04360","621469","Present",NA,NA
+"4361","(2Z)-2-(5-Imino-3-oxo-4-phenyloxolan-2-ylidene)-2-phenylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(5-Imino-3-oxo-4-phenyloxolan-2-ylidene)-2-phenylacetonitrile",NA,"C1=CC=C(C=C1)C2C(=O)C(=C(C#N)C3=CC=CC=C3)OC2=N","LBMMJPRALNYRKB-XENPFCSJSA-N",5387151,NA,"PDBC04361","621169","Present",NA,NA
+"4362","(2Z)-2-(Carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-2-[3-(3-nitrophenyl)-5-oxo-2-phenyl-3,4-dihydropyridazin-6-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(Carbamothioylhydrazinylidene)-N-(3,4-dichlorophenyl)-2-[3-(3-nitrophenyl)-5-oxo-2-phenyl-3,4-dihydropyridazin-6-yl]acetamide",NA,"C1C(N(N=C(C1=O)C(=NNC(=S)N)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]","ZBRGNYWRFMEJDS-WMMMYUQOSA-N",9571700,NA,"PDBC04362","646782","Present",NA,NA
+"4363","(2Z)-2-(Methylimino)-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK053130",NA,"CN=C1C(=CC2=CC=CC=C2O1)C(=O)N","BYOVSAYXYNEHGC-UHFFFAOYSA-N",395971,NA,"PDBC04363","701095","Present",NA,NA
+"4364","(2Z)-2-(Phenylimino)-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_002929",NA,"C1=CC=C(C=C1)N=C2C(=CC3=CC=CC=C3O2)C(=O)N","KXQXSADVPNMWEB-UHFFFAOYSA-N",395970,NA,"PDBC04364","701094","Present",NA,NA
+"4365","(2Z)-2-Acetonylidene-5,6-dimethyl-1H-thieno[2,3-d][1,3]thiazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-2-Hydroxyprop-1-enyl]-5,6-dimethylthieno[2,3-d][1,3]thiazin-4-one",NA,"CC1=C(SC2=C1C(=O)SC(=N2)C=C(C)O)C","CHYJEGZMLLQVEC-PLNGDYQASA-N",135493377,NA,"PDBC04365","685433","Present",NA,NA
+"4366","(2Z)-2-Acetyl-3-({[(4-ethoxyphenyl)amino]carbonothioyl}amino)-N-(2-methylphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Acetyl-3-({[(4-ethoxyphenyl)amino]carbonothioyl}amino)-N-(2-methylphenyl)acrylamide",NA,"CCOC1=CC=C(C=C1)NC(=S)N=CC(=C(C)O)C(=O)NC2=CC=CC=C2C","QVCGVFAYUKKUDJ-LSDNQSPLSA-N",135499378,NA,"PDBC04366","658301","Present",NA,NA
+"4367","(2Z)-2-Acetyl-3-[({[4-(aminosulfonyl)phenyl]amino}carbonothioyl)amino]-N-(2-methylphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Acetyl-3-[({[4-(aminosulfonyl)phenyl]amino}carbonothioyl)amino]-N-(2-methylphenyl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N","KKACOJMDLRUOHT-YSJUBMSDSA-N",135409105,NA,"PDBC04367","658305","Present",NA,NA
+"4368","(2Z)-2-Acetyl-3-{[(allylamino)carbonothioyl]amino}-N-(2-methylphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Acetyl-3-{[(allylamino)carbonothioyl]amino}-N-(2-methylphenyl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)NCC=C","DAGYGOMDBNEGEL-IXPUNULSSA-N",135442827,NA,"PDBC04368","658300","Present",NA,NA
+"4369","(2Z)-2-Acetyl-N-(2-methylphenyl)-3-[(pyridin-4-ylcarbonothioyl)amino]acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Acetyl-N-(2-methylphenyl)-3-[(pyridin-4-ylcarbonothioyl)amino]acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)C2=CC=NC=C2","CWAYZYJELYJLQW-WQZXYWPWSA-N",135442830,NA,"PDBC04369","658322","Present",NA,NA
+"4370","(2Z)-2-Amino-3-[((1Z)-{4-[2-(methoxymethyl)pyrrolidin-1-yl]p henyl}methylene)amino]but-2-enedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-amino-3-[((1Z)-{4-[2-(methoxymethyl)pyrrolidin-1-...",NA,"COCC1CCCN1C2=CC=C(C=C2)C=NC(=C(C#N)N)C#N","BYFQRGBWWWKBII-YCQPAETHSA-N",24206055,NA,"PDBC04370","737799","Present",NA,NA
+"4371","(2Z)-2-Benzylidene-3-phenyl-1,3-oxazolidine-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Benzylidene-3-phenyl-1,3-oxazolidine-4,5-dione",NA,"C1=CC=C(C=C1)C=C2N(C(=O)C(=O)O2)C3=CC=CC=C3","PVSFTJWEPPTAHR-KAMYIIQDSA-N",5795758,NA,"PDBC04371","84922","Present",NA,NA
+"4372","(2Z)-2-Benzyloxyimino-1,3,4,8b-tetrahydrobiphenylen-4a-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Benzyloxyimino-1,3,4,8b-tetrahydrobiphenylen-4a-ol",NA,"C1CC2(C(CC1=NOCC3=CC=CC=C3)C4=CC=CC=C42)O","UGPULUQOSJVXPK-HKWRFOASSA-N",6066733,NA,"PDBC04372","655317","Present",NA,NA
+"4373","(2Z)-2-Cyano-3-(9-ethyl-9H-carbazol-3-yl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-cyano-3-(9-ethyl-9H-carbazol-3-yl)acrylamide",NA,"CCN1C2=C(C=C(C=C2)C=C(C#N)C(=O)N)C3=CC=CC=C31","LHFRPYQQQAPBGD-LCYFTJDESA-N",1724503,NA,"PDBC04373","736774","Present",NA,NA
+"4374","(2Z)-2-Cyano-3-{4-[2-(methoxymethyl)pyrrolidin-1-yl]phenyl}p rop-2-enethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-cyano-3-{4-[2-(methoxymethyl)pyrrolidin-1-yl]phen...",NA,"COCC1CCCN1C2=CC=C(C=C2)C=C(C#N)C(=S)N","CMJBCNKEILSWAD-LCYFTJDESA-N",24206056,NA,"PDBC04374","737800","Present",NA,NA
+"4375","(2Z)-2-Hydrazinylidene-3-nitro-3-(7-nitro-3,4-dihydroquinoxalin-2-yl)-N-(4-nitrophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Hydrazinylidene-3-nitro-3-(7-nitro-3,4-dihydroquinoxalin-2-yl)-N-(4-nitrophenyl)propanamide",NA,"C1C(=NC2=C(N1)C=CC(=C2)[N+](=O)[O-])C(C(=NN)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","OKYDGPDUSKMDPZ-JCMHNJIXSA-N",5887700,NA,"PDBC04375","648639","Present",NA,NA
+"4376","(2Z)-2-Hydrazinylidene-5,6-dimethyl-3-phenyl-thiazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Hydrazinylidene-5,6-dimethyl-3-phenyl-thiazolo[4,5-d]pyrimidin-7-one",NA,"CC1=NC2=C(C(=O)N1C)SC(=NN)N2C3=CC=CC=C3","HDXAYHRUBGKYLS-SSZFMOIBSA-N",9571407,NA,"PDBC04376","653412","Present",NA,NA
+"4377","(2Z)-2-Hydroxy-N-(4-methoxyphenyl)-4-oxo-4-phenylbut-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-(4-methoxyphenyl)-4-oxo-4-phenylbut-2-enamide",NA,"COC1=CC=C(C=C1)NC(=O)C(=O)C=C(C2=CC=CC=C2)O","HXBXYWGOSAUWDY-PTNGSMBKSA-N",1550262,NA,"PDBC04377","658709","Present",NA,NA
+"4378","(2Z)-2-Hydroxyimino-3-(2H-triazol-4-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Hydroxyimino-3-(2H-triazol-4-yl)propanoic acid",NA,"C1=NNN=C1CC(=NO)C(=O)O","PMFKQZGFOMVNMB-YWEYNIOJSA-N",6412241,NA,"PDBC04378","117386","Present",NA,NA
+"4379","(2Z)-2-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(1-Methyl-5-nitroimidazole-2-ylmethylene)-3(2H)-be...",NA,"CN1C(=CN=C1C=C2C(=O)C3=CC=CC=C3O2)[N+](=O)[O-]","WBYWEHLFFOFMMD-POHAHGRESA-N",44444269,NA,"PDBC04379","772257","Present",NA,NA
+"4380","(2Z)-2-[(2,4-Dichlorophenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(2,4-Dichlorophenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one",NA,"C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=C(C=C(C=C4)Cl)Cl)S3","VVFZQPPWRYCMBO-AUWJEWJLSA-N",1934733,NA,"PDBC04380","633948","Present",NA,NA
+"4381","(2Z)-2-[(2-Cyanoacetyl)hydrazinylidene]-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(2-Cyanoacetyl)hydrazinylidene]-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-4-oxobutanamide",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NNC(=O)CC#N)C(=O)N","OWGCJBVZAVSDNV-GRSHGNNSSA-N",5351368,NA,"PDBC04381","635542","Present",NA,NA
+"4382","(2Z)-2-[(2-Hydroxy-1-naphthyl)methylene]thiazolo[3,2-a]benzimidazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(2-Hydroxy-1-naphthyl)methylene]thiazolo[3,2-a]benzimidazol-1-one",NA,"C1=CC=C2C(=C1)C=CC(=C2C=C3C(=O)N4C5=CC=CC=C5N=C4S3)O","ZSTMORBAOJHJPC-WQRHYEAKSA-N",5388229,NA,"PDBC04382","633947","Present",NA,NA
+"4383","(2Z)-2-[(3R,4S,6R,10S)-4,10-Dihydroxy-3-[(3E,5Z)-6-(hydroxymethyl)-10-methylundeca-1,3,5,9-tetraen-2-yl]-6-(3-hydroxypropyl)-10-methylspiro[4.5]decan-7-ylidene]propanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiroirida-15(28),16-dienal, 14,15-dihydro- 26(R),29-dih...",NA,"CC(=CCCC(=CC=CC(=C)C1CCC2(C1O)C(C(=C(C)C=O)CCC2(C)O)CCCO)CO)C","PFWNRJSLKAVWGD-WHPGRMRZSA-N",11969948,NA,"PDBC04383","643547","Present",NA,NA
+"4384","(2Z)-2-[(3Z)-3-[2-(4-Chlorophenyl)-2-oxo-ethylidene]-1,4-dihydroquinoxalin-2-ylidene]-1-phenyl-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-[3-[(Z)-2-(4-Chlorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]-1-phenylethenol",NA,"C1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3N=C2C=C(C4=CC=C(C=C4)Cl)O)O","WIZMPVVNNWLZRY-YBOYZMIGSA-N",135426594,NA,"PDBC04384","702014","Present",NA,NA
+"4385","(2Z)-2-[(3Z)-3-[2-(4-Chlorophenyl)-2-oxo-ethylidene]-6-nitro-1,4-dihydroquinoxalin-2-ylidene]-1-phenyl-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-[3-[(Z)-2-(4-Chlorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]-1-phenylethenol",NA,"C1=CC=C(C=C1)C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C(C4=CC=C(C=C4)Cl)O)O","LNRZREYNIGOBDE-GACBQCINSA-N",135440811,NA,"PDBC04385","682579","Present",NA,NA
+"4386","(2Z)-2-[(4-Hydroxyphenyl)methylidene]-5-methoxy-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(4-Hydroxyphenyl)methylidene]-5-methoxy-1-benzofuran-3-one",NA,"COC1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)O)C2=O","SCNLPKXECAMANX-NVNXTCNLSA-N",54613041,NA,"PDBC04386","747169","Present",NA,NA
+"4387","(2Z)-2-[(4Z)-3-Chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(4Z)-3-Chloro-4-hydroxyiminocyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile",NA,"C1=CC(=CC=C1C(=C2C=CC(=NO)C(=C2)Cl)C#N)Cl","KASFVGQOBYGUEY-ZOCPVQLTSA-N",5715133,NA,"PDBC04387","102225","Present",NA,NA
+"4388","(2Z)-2-[(4Z)-4-Hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(4Z)-4-Hydroxyiminonaphthalen-1-ylidene]-2-(4-methoxyphenyl)acetonitrile",NA,"COC1=CC=C(C=C1)C(=C2C=CC(=NO)C3=CC=CC=C23)C#N","CYCYSCSRPYPQLM-DHZPKXATSA-N",6514025,NA,"PDBC04388","406637","Present",NA,NA
+"4389","(2Z)-2-[(5-Nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(5-Nitrothiophene-2-ylmethylene)-3(2H)-benzofuranone",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])O2","FFONSOSBDNEBEX-XFFZJAGNSA-N",155809679,NA,"PDBC04389","772282","Present",NA,NA
+"4390","(2Z)-2-[(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)imino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)imino]pentanedioic acid",NA,"C(CC(=O)O)C(=NC1=NN=C(S1)S(=O)(=O)N)C(=O)O","ZWLYVYGBCGSNSD-OQFOIZHKSA-N",6374956,NA,"PDBC04390","695653","Present",NA,NA
+"4391","(2Z)-2-[(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-cyclohexyl-5-methyl-1,3-thiazolidin-4-one",NA,"CC1C(=O)N(C(=NN=C2C3=C(C=CC(=C3)Br)NC2=O)S1)C4CCCCC4","DKOSLWXQYNFCNG-PYCFMQQDSA-N",135436322,NA,"PDBC04391","718637","Present",NA,NA
+"4392","(2Z)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[2-(4-Chlorophenyl)-2-oxoethylidene]-5-phenylfuran-3-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C(=CC(=O)C3=CC=C(C=C3)Cl)O2","JEHNULRDVZQRHG-ZDLGFXPLSA-N",1550413,NA,"PDBC04392","674916","Present",NA,NA
+"4393","(2Z)-2-[2-(Cyanomethyl)phenyl]-2-[4-[2-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[2-(Cyanomethyl)phenyl]-2-[4-[2-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile",NA,"C1=CC=C(C(=C1)CC#N)C2C(=O)C(=C(C#N)C3=CC=CC=C3CC#N)OC2=N","BESXYZBXFLUMDX-HSHDQCBASA-N",5387150,NA,"PDBC04393","621166","Present",NA,NA
+"4394","(2Z)-2-[3-(1-Adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-bromophenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[3-(1-Adamantylamino)-1H-quinoxalin-2-ylidene]-1-(4-bromophenyl)ethanone",NA,"C1C2CC3CC1CC(C2)(C3)NC4=NC5=CC=CC=C5N=C4C=C(C6=CC=C(C=C6)Br)O","MGLBSMSUWWITRP-MSXFZWOLSA-N",135409165,NA,"PDBC04394","662445","Present",NA,NA
+"4395","(2Z)-2-[3-Amino-4-(4-chlorophenyl)-5-hydroxy-1H-pyridazin-6-ylidene]-2-(4-chlorophenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[3-Amino-4-(4-chlorophenyl)-5-hydroxy-1H-pyridazin-6-ylidene]-2-(4-chlorophenyl)acetonitrile",NA,"C1=CC(=CC=C1C2=C(C(=C(C#N)C3=CC=C(C=C3)Cl)NN=C2N)O)Cl","BUMMMFOUCGXOSF-JQIJEIRASA-N",135510045,NA,"PDBC04395","621473","Present",NA,NA
+"4396","(2Z)-2-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-3-phenyl-1,3-thiazinan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-3-phenyl-1,3-thiazinan-5-one",NA,"CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)SN=C5N(CC(=O)CS5)C6=CC=CC=C6","VPKKNGABQBXKLS-HYOGKJQXSA-N",24203715,NA,"PDBC04396","729194","Present",NA,NA
+"4397","(2Z)-2-[4-(Cyanomethyl)phenyl]-2-[4-[4-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[4-(Cyanomethyl)phenyl]-2-[4-[4-(cyanomethyl)phenyl]-5-imino-3-oxooxolan-2-ylidene]acetonitrile",NA,"C1=CC(=CC=C1CC#N)C2C(=O)C(=C(C#N)C3=CC=C(C=C3)CC#N)OC2=N","JONMXLHBUZOGNL-HSHDQCBASA-N",5387152,NA,"PDBC04397","621185","Present",NA,NA
+"4398","(2Z)-2-[5-(2,6,6-Trimethylcyclohexen-1-yl)-3-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)vinyl]cyclohex-2-en-1-ylidene]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[5-(2,6,6-Trimethylcyclohexen-1-yl)-3-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]cyclohex-2-en-1-ylidene]acetic acid",NA,"CC1=C(C(CCC1)(C)C)C=CC2=CC(=CC(=O)O)CC(C2)C3=C(CCCC3(C)C)C","OSJIOOWZMIEHAZ-OMCQQFIBSA-N",5387557,NA,"PDBC04398","624510","Present",NA,NA
+"4399","(2Z)-2-[5-Amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[5-Amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)acetonitrile",NA,"C1=CC(=CC=C1C2=C(OC(=C(C#N)C3=CC=C(C=C3)Cl)C2=O)N)Cl","XAWHATZWRGMNAN-SAPNQHFASA-N",5921780,NA,"PDBC04399","621467","Present",NA,NA
+"4400","(2Z)-2-[Bromo(iodo)methylidene]cyclohexan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-bromoiodomethylidene] cyclohexanone",NA,"C1CCC(=O)C(=C(Br)I)C1","MCOGFXOCYOJSND-ALCCZGGFSA-N",5467657,NA,"PDBC04400","657562","Present",NA,NA
+"4401","(2Z)-2-[[2-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[2-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one",NA,"C1=CC=C(C(=C1)C=C2C(=O)NC3=CC=CC=C3S2)C(F)(F)F","MPOYICXOCNFHJL-ZROIWOOFSA-N",5476890,NA,"PDBC04401","271278","Present",NA,NA
+"4402","(2Z)-2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1-phenylbutane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1-phenylbutane-1,3-dione",NA,"CC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C(=O)C3=CC=CC=C3","WXWUCBCHDJBFOS-QINSGFPZSA-N",24203791,NA,"PDBC04402","729523","Present",NA,NA
+"4403","(2Z)-2-[[3-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[3-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one",NA,"C1=CC=C2C(=C1)NC(=O)C(=CC3=CC(=CC=C3)C(F)(F)F)S2","CPGYZWDTGDRKHK-ZROIWOOFSA-N",5476828,NA,"PDBC04403","267589","Present",NA,NA
+"4404","(2Z)-2-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=CC4=CC(=CC=C4)OCC(=O)C5=CC=C(C=C5)Cl)O3","GIVFQYLAYFHIIH-MYYYXRDXSA-N",45028848,NA,"PDBC04404","744629","Present",NA,NA
+"4405","(2Z)-2-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one",NA,"COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)C=C3C(=O)C4=C(O3)C=CC5=CC=CC=C54","QNQQXGJEEABXPT-QQXSKIMKSA-N",45028847,NA,"PDBC04405","744628","Present",NA,NA
+"4406","(2Z)-2-[[3-[2-(4-Nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[3-[2-(4-Nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=CC4=CC(=CC=C4)OCC(=O)C5=CC=C(C=C5)[N+](=O)[O-])O3","XBJYVSFALZULRC-MYYYXRDXSA-N",45028849,NA,"PDBC04406","744630","Present",NA,NA
+"4407","(2Z)-2-[[4-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[4-(Trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one",NA,"C1=CC=C2C(=C1)NC(=O)C(=CC3=CC=C(C=C3)C(F)(F)F)S2","JFGGNGQMHJXPBU-ZROIWOOFSA-N",5476834,NA,"PDBC04407","268222","Present",NA,NA
+"4408","(2Z)-2-[[4-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-5-methoxy-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[4-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-5-methoxy-1-benzofuran-3-one",NA,"COC1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)OCC(=O)C4=CC=C(C=C4)Cl)C2=O","GIIJFNDCQSBZAG-FMCGGJTJSA-N",45028681,NA,"PDBC04408","743693","Present",NA,NA
+"4409","(2Z)-2-[[4-[2-(4-Nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[4-[2-(4-Nitrophenyl)-2-oxoethoxy]phenyl]methylidene]benzo[e][1]benzofuran-1-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=CC4=CC=C(C=C4)OCC(=O)C5=CC=C(C=C5)[N+](=O)[O-])O3","CUIYETMXERLSMB-MYYYXRDXSA-N",45028846,NA,"PDBC04409","744627","Present",NA,NA
+"4410","(2Z)-2-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazono]-3-methyl-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[5-(4-Chlorophenyl)-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]hydrazinylidene]-3-methyl-1,3-thiazolidin-4-one",NA,"CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NN=C4N(C(=O)CS4)C)C5=CC=C(C=C5)Cl","HYKRHCVSTJOSQY-NFFVHWSESA-N",9571868,NA,"PDBC04410","667708","Present",NA,NA
+"4411","(2Z)-2-[[5-Methyl-4-[5-methyl-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[[5-Methyl-4-[5-methyl-2-[(Z)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]imino]-1,3-thiazolidin-4-one",NA,"CC1=C(N=C(S1)N=C2NC(=O)CS2)C3=C(SC(=N3)N=C4NC(=O)CS4)C","MRNWTMJCTQGMIV-UHFFFAOYSA-N",135585485,NA,"PDBC04411","730517","Present",NA,NA
+"4412","(2Z)-3-Benzyl-2-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-1,3-thiazinan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-3-Benzyl-2-[4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfanylimino-1,3-thiazinan-5-one",NA,"CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)SN=C5N(CC(=O)CS5)CC6=CC=CC=C6","WIANQJGEMUEOFF-YCNYHXFESA-N",24203716,NA,"PDBC04412","729195","Present",NA,NA
+"4413","(2Z)-3-Cyano-2-{[hydrazino(oxo)acetyl]hydrazono}-3-(2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-3-Cyano-2-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-3-(2-methylphenyl)-N-[3-(trifluoromethyl)phenyl]propanamide",NA,"CC1=CC=CC=C1C(C#N)C(=NNC(=O)C(=O)NN)C(=O)NC2=CC=CC(=C2)C(F)(F)F","JWSMOVJRBZKVIQ-NTFVMDSBSA-N",5912776,NA,"PDBC04413","625895","Present",NA,NA
+"4414","(2Z)-3-Phenyl-2-[[9-(p-tolyl)purin-6-yl]hydrazono]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-3-Phenyl-2-[[9-(p-tolyl)purin-6-yl]hydrazono]thiazolidin-4-one",NA,"CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)NN=C4N(C(=O)CS4)C5=CC=CC=C5","YNRRSQXTOLYURT-QLYXXIJNSA-N",9571867,NA,"PDBC04414","667705","Present",NA,NA
+"4415","(2Z)-3-[2-[4-[2-Oxo-2-[(2Z)-4-oxo-2-phenylimino-thiazolidin-3-yl]ethoxy]phenoxy]acetyl]-2-phenylimino-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[4-[2-Oxo-2-(4-oxo-2-phenylimino-1,3-thiazolidin-3-yl)ethoxy]phenoxy]acetyl]-2-phenylimino-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(=NC2=CC=CC=C2)S1)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CSC4=NC5=CC=CC=C5","ZUQOSYDFAIAHSS-UHFFFAOYSA-N",394028,NA,"PDBC04415","697146","Present",NA,NA
+"4416","(2Z)-5-Amino-2-[(4-methoxyphenyl)methylene]-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-5-Amino-2-[(4-methoxyphenyl)methylene]-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(=O)N=C3N2)N4CCOCC4)N","RBCAHMYMACCRIP-RAXLEYEMSA-N",5938361,NA,"PDBC04416","684394","Present",NA,NA
+"4417","(2Z)-5-Amino-2-benzylidene-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-5-Amino-2-benzylidene-6-morpholino-8H-imidazo[1,2-a]pyrimidine-3,7-dione",NA,"C1COCCN1C2=C(N3C(=O)C(=CC4=CC=CC=C4)NC3=NC2=O)N","FRHBDSSHYRTEAL-BENRWUELSA-N",5920966,NA,"PDBC04417","684391","Present",NA,NA
+"4418","(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-2-benzylidene-3-oxo-7-phenyl-8aH-thiazolo[3,2-a]pyridine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Benzylidene-8-(1,3-dihydrobenzimidazol-2-ylidene)-5-imino-3-oxo-7-phenyl-8aH-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile",NA,"C1=CC=C(C=C1)C=C2C(=O)N3C(S2)C(=C4NC5=CC=CC=C5N4)C(=C(C3=N)C#N)C6=CC=CC=C6","MKHUTLRYXBQPHB-VNBAYUTASA-N",135472676,NA,"PDBC04418","650578","Present",NA,NA
+"4419","(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylene]-3-oxo-7H-thiazolo[3,2-a]pyridine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-chlorophenyl)-2-[(4-chlorophenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile",NA,"C1=CC=C2C(=C1)NC(=N2)C3=C4N(C(=C(C3C5=CC=C(C=C5)Cl)C#N)N)C(=O)C(=CC6=CC=C(C=C6)Cl)S4","SGSUYLGXULISEK-XKZIYDEJSA-N",6036038,NA,"PDBC04419","652052","Present",NA,NA
+"4420","(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylene]-3-oxo-7H-thiazolo[3,2-a]pyridine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-5-Amino-8-(1H-benzimidazol-2-yl)-7-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylidene]-3-oxo-7H-[1,3]thiazolo[3,2-a]pyridine-6-carbonitrile",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(C(=C3S2)C4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)OC)C#N)N","FJKACYYBWYGIEO-IWIPYMOSSA-N",6477375,NA,"PDBC04420","652051","Present",NA,NA
+"4421","(2Z)-5-Bromo-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Bromo-2-(1-methyl-5-nitroimidazole-2-ylmethylene)-...",NA,"CN1C(=CN=C1C=C2C(=O)C3=C(O2)C=CC(=C3)Br)[N+](=O)[O-]","YHRYEMLGRQUXSK-YHYXMXQVSA-N",44444277,NA,"PDBC04421","772259","Present",NA,NA
+"4422","(2Z)-5-Bromo-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Bromo-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-ben...",NA,"C1=CC2=C(C=C1Br)C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])O2","ADNMHZKFYBUXDA-WDZFZDKYSA-N",155814613,NA,"PDBC04422","772287","Present",NA,NA
+"4423","(2Z)-5-Chloro-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Chloro-2-(1-methyl-5-nitroimidazole-2-ylmethylene)...",NA,"CN1C(=CN=C1C=C2C(=O)C3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]","FCVBLEXFCIZQCO-YHYXMXQVSA-N",44444274,NA,"PDBC04423","772258","Present",NA,NA
+"4424","(2Z)-5-Chloro-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Chloro-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-be...",NA,"C1=CC2=C(C=C1Cl)C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])O2","QAMHJGDDFCFPGL-WDZFZDKYSA-N",155816134,NA,"PDBC04424","772283","Present",NA,NA
+"4425","(2Z)-5-Methoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene...",NA,"CN1C(=CN=C1C=C2C(=O)C3=C(O2)C=CC(=C3)OC)[N+](=O)[O-]","FTBQFBRYZNXQNS-WDZFZDKYSA-N",44444279,NA,"PDBC04425","772261","Present",NA,NA
+"4426","(2Z)-5-Methoxy-2-[(3-phenacyloxyphenyl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-5-Methoxy-2-[(3-phenacyloxyphenyl)methylidene]-1-benzofuran-3-one",NA,"COC1=CC2=C(C=C1)OC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=CC=C4)C2=O","HJHVYNBSGNQSLH-QRVIBDJDSA-N",45028682,NA,"PDBC04426","743694","Present",NA,NA
+"4427","(2Z)-5-Methoxy-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b...",NA,"COC1=CC2=C(C=C1)OC(=CC3=CC=C(S3)[N+](=O)[O-])C2=O","FHHMWWQVMIUJDG-GHXNOFRVSA-N",155805210,NA,"PDBC04427","772288","Present",NA,NA
+"4428","(2Z)-5-Methyl-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Methyl-2-(1-methyl-4-nitroimidazole-5-ylmethylene)...",NA,"CC1=CC2=C(C=C1)OC(=CC3=NC=C(N3C)[N+](=O)[O-])C2=O","OYRNHYUENQBODH-WDZFZDKYSA-N",44444278,NA,"PDBC04428","772264","Present",NA,NA
+"4429","(2Z)-6,7-Dimethoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6,7-Dimethoxy-2-(1-methyl-5-nitroimidazole-2-ylmethy...",NA,"CN1C(=CN=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)OC)OC)[N+](=O)[O-]","FMJAEMCDTDPGTL-POHAHGRESA-N",44444303,NA,"PDBC04429","772266","Present",NA,NA
+"4430","(2Z)-6,8-Dichloro-2-[(4-fluorophenyl)imino]-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2z)-6,8-Dichloro-2-(4-fluorophenyl)imino-chromene-3-carboxamide",NA,"C1=CC(=CC=C1N=C2C(=CC3=CC(=CC(=C3O2)Cl)Cl)C(=O)N)F","LWOALQQLBCVOAU-UHFFFAOYSA-N",397118,NA,"PDBC04430","704431","Present",NA,NA
+"4431","(2Z)-6-Chloro-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-Chloro-2-(1-methyl-4-nitroimidazole-5-ylmethylene)...",NA,"CN1C(=CN=C1C=C2C(=O)C3=C(O2)C=C(C=C3)Cl)[N+](=O)[O-]","VTPNBXGTZZLKHA-YHYXMXQVSA-N",44444282,NA,"PDBC04431","772265","Present",NA,NA
+"4432","(2Z)-6-Chloro-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-Chloro-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-be...",NA,"C1=CC2=C(C=C1Cl)OC(=CC3=CC=C(S3)[N+](=O)[O-])C2=O","FDAOXPCBLCQCCV-WDZFZDKYSA-N",155809681,NA,"PDBC04432","772285","Present",NA,NA
+"4433","(2Z)-6-Methoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene...",NA,"CN1C(=CN=C1C=C2C(=O)C3=C(O2)C=C(C=C3)OC)[N+](=O)[O-]","USJNTUCQFCQOLU-WDZFZDKYSA-N",44444285,NA,"PDBC04433","772274","Present",NA,NA
+"4434","(2Z)-6-Methoxy-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-Methoxy-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzo...",NA,"COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","DPFRVEDBZGDCEH-GHXNOFRVSA-N",54590064,NA,"PDBC04434","772278","Present",NA,NA
+"4435","(2Z)-6-Methoxy-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b...",NA,"COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])O2","CQDXPKROJWXZAC-GHXNOFRVSA-N",54590063,NA,"PDBC04435","772286","Present",NA,NA
+"4436","(2Z)-6-Methyl-2-(6-methylindan-1-ylidene)indan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-6-Methyl-2-(6-methylindan-1-ylidene)indan-1-one",NA,"CC1=CC2=C(CCC2=C3CC4=C(C3=O)C=C(C=C4)C)C=C1","OWRSFEGPAJAENL-MNDPQUGUSA-N",3005128,NA,"PDBC04436","674952","Present",NA,NA
+"4437","(2Z)-6-Methyl-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-Methyl-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof...",NA,"CC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","LPWOBZJUPUQCTO-GHXNOFRVSA-N",155812777,NA,"PDBC04437","772279","Present",NA,NA
+"4438","(2Z)-7-Methoxy-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-7-Methoxy-2-(1-methyl-5-nitroimidazole-2-ylmethylene...",NA,"CN1C(=CN=C1C=C2C(=O)C3=C(O2)C(=CC=C3)OC)[N+](=O)[O-]","GFNMYAMJZGFQKK-POHAHGRESA-N",44444297,NA,"PDBC04438","772260","Present",NA,NA
+"4439","(2Z)-7-Methoxy-2-[(5-nitrothiophen-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-7-Methoxy-2-(5-nitrothiophene-2-ylmethylene)-3(2H)-b...",NA,"COC1=CC=CC2=C1OC(=CC3=CC=C(S3)[N+](=O)[O-])C2=O","VTNJVPXKVSVOSJ-XFFZJAGNSA-N",155809680,NA,"PDBC04439","772284","Present",NA,NA
+"4440","(2Z)-7-Methyl-2-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-7-Methyl-2-(1-methyl-4-nitroimidazole-5-ylmethylene)...",NA,"CC1=C2C(=CC=C1)C(=O)C(=CC3=NC=C(N3C)[N+](=O)[O-])O2","BZQFSNUNMJEMCG-POHAHGRESA-N",44444295,NA,"PDBC04440","772268","Present",NA,NA
+"4441","(2Z)-7-Methyl-2-[(5-nitrofuran-2-yl)methylidene]-1-benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-7-Methyl-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof...",NA,"CC1=C2C(=CC=C1)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","YYCGVOURVJVOMD-XFFZJAGNSA-N",155808366,NA,"PDBC04441","772262","Present",NA,NA
+"4442","(2Z)-8-Allyl-4-methoxy-2-(2-methoxybenzylidene)furo[3,2-f][1]benzofuran-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-8-allyl-4-methoxy-2-(2-methoxybenzylidene)furo[3,2-...",NA,"COC1=CC=CC=C1C=C2C(=O)C3=C(C4=C(C(=C3O2)CC=C)OC=C4)OC","JHMHJENYFQVKFC-ATVHPVEESA-N",60148102,NA,"PDBC04442","753632","Present",NA,NA
+"4443","(2Z)-N-(2,3-Dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(2,3-Dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide",NA,"CC1=C(C(=CC=C1)NC(=O)C(=NN)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-])C","CHABIGCZQYAMIZ-ULJHMMPZSA-N",5936844,NA,"PDBC04443","646809","Present",NA,NA
+"4444","(2Z)-N-(2,5-Dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(2,5-Dimethylphenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=NN)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","KKBXQEBGPSKLCL-ULJHMMPZSA-N",5900400,NA,"PDBC04444","648660","Present",NA,NA
+"4445","(2Z)-N-(4-Chlorophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-(1-oxidopyridin-1-ium-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(4-Chlorophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]-3-(1-oxidopyridin-1-ium-2-yl)propanamide",NA,"C1=CC=[N+](C(=C1)CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC3=CC=C(C=C3)Cl)[O-]","ONFWMCBNWALUMX-MOHJPFBDSA-N",9571341,NA,"PDBC04445","646384","Present",NA,NA
+"4446","(2Z,10E)-3-(Methylbut-2-enyl)-7,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,6E,10E)-3-(Methylbut-2-enyl)-7,11,15-trimethylhexade...",NA,"CC(=CCCC(=CCCC(=CCOP(=O)(N(C)CCCCCl)OCC1=CC=C(O1)[N+](=O)[O-])CC=C(C)C)C)C","AWDAFDZLUZUOKI-GGGHJSHRSA-N",16736584,NA,"PDBC04446","730232","Present",NA,NA
+"4447","(2Z,10E)-3-Allyl-7,11,15-trimethylhexadeca-2,6,10,14-tetr aen-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,6E,10E)-3-allyl-7,11,15-trimethylhexadeca-2,6,10,14-...",NA,"CC(=CCCC(=CCCC(=CCOP(=O)(N(C)CCCCCl)OCC1=CC=C(O1)[N+](=O)[O-])CC=C)C)C","ZLRMXSICFWQDNL-DFYPRORVSA-N",16738556,NA,"PDBC04447","730231","Present",NA,NA
+"4448","(2Z,10E)-3-Tert-butyl-7,11,15-trimethylhexadeca-2,6,10-tr ien-1-yl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,6E,10E)-3-tert-butyl-7,11,15-trimethylhexadeca-2,6,1...",NA,"CC(=CCCC(=CCCC(=CCOP(=O)(N(C)CCCCCl)OCC1=CC=C(O1)[N+](=O)[O-])C(C)(C)C)C)C","CENMSNFMZUNZCJ-RDOXKSFNSA-N",11635544,NA,"PDBC04448","730233","Present",NA,NA
+"4449","(2Z,3Z)-Bis(1,3-benzodioxol-5-ylmethylene)succinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,3Z)-Bis(1,3-benzodioxol-5-ylmethylene)succinic acid",NA,"C1OC2=C(O1)C=C(C=C2)C=C(C(=CC3=CC4=C(C=C3)OCO4)C(=O)O)C(=O)O","BFGVJWYCQSEQET-GFIWHYBVSA-N",5387805,NA,"PDBC04449","627590","Present",NA,NA
+"4450","(2Z,4-Dienethi oamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,4E)-2-cyano-5-[4-(diethylamino)phenyl]penta-2,4-dien...",NA,"CCN(CC)C1=CC=C(C=C1)C=CC=C(C#N)C(=S)N","UJMGMXXAIVMBAY-JEZZUBLBSA-N",24205810,NA,"PDBC04450","736780","Present",NA,NA
+"4451","(2Z,4-Dienethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,4E)-2-cyano-5-(4-methoxyphenyl)penta-2,4-dienethioamide",NA,"COC1=CC=C(C=C1)C=CC=C(C#N)C(=S)N","KIRCJLMBMDDROL-ICKRUQPGSA-N",24205808,NA,"PDBC04451","736778","Present",NA,NA
+"4452","(2Z,4Ar,6aR,6bS,8aS,11R,12S,12aS,14aR,14bR)-4,4,6a,6b,11,12,14b-heptamethyl-8a-(4-methylpiperazine-1-carbonyl)-2-(pyridin-3-ylmethylidene)-4a,5,6,7,8,9,10,11,12,12a,14,14a-dodecahydro-1H-picen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-vinylpyridine]-3-oxo-urs-12(13)-en-28-N-methylpiper...",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(=CC6=CN=CC=C6)C(=O)C5(C)C)C)C)C2C1C)C)C(=O)N7CCN(CC7)C","SRVVGWWAYVDHMF-MBMZVHGUSA-N",155809596,NA,"PDBC04452","801984","Present",NA,NA
+"4453","(2Z,4E)-2-(Benzenesulfinyl)-5-(3-chlorophenyl)penta-2,4-dienenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,4E)-5-(3-chlorophenyl)-2-(phenylsulfinyl)penta-2,4-d...",NA,"C1=CC=C(C=C1)S(=O)C(=CC=CC2=CC(=CC=C2)Cl)C#N","WCMYWACCHAFCPJ-UWNNVHOVSA-N",155807223,NA,"PDBC04453","782368","Present",NA,NA
+"4454","(2Z,4E)-2-(Benzenesulfinyl)-5-phenylpenta-2,4-dienenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,4E)-5-phenyl-2-(phenylsulfinyl)penta-2,4-dienenitrile",NA,"C1=CC=C(C=C1)C=CC=C(C#N)S(=O)C2=CC=CC=C2","LKFCYVJDWGLXGU-DESBJYGPSA-N",155814868,NA,"PDBC04454","782369","Present",NA,NA
+"4455","(2Z,4E)-5-(3-Chlorophenyl)-2-methylsulfinylpenta-2,4-dienenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,4E)-5-(3-chlorophenyl)-2-(methylsulfinyl)penta-2,4-d...",NA,"CS(=O)C(=CC=CC1=CC(=CC=C1)Cl)C#N","KAYFQNPAMMCIGZ-FMVMLBDOSA-N",155810455,NA,"PDBC04455","780927","Present",NA,NA
+"4456","(2Z,4Z)-N-[3-(1-Oxo-8-hydroxy-3,4-dihydro-1H-2-benzopyran-3-yl)-1-propenyl]-2,4-heptadieneamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,4Z)-N-[(E)-3-(8-Hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)prop-1-enyl]hepta-2,4-dienamide",NA,"CCC=CC=CC(=O)NC=CCC1CC2=C(C(=CC=C2)O)C(=O)O1","FXLGTMRGILDRQI-UYSGNFFCSA-N",24878848,NA,"PDBC04456","743513","Present",NA,NA
+"4457","(2Z,5R)-5-(1,3-Benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,5R)-5-(1,3-Benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one",NA,"C1OC2=C(O1)C=C(C=C2)C3C=C(N=C4N3C(=O)C(=CC5=CC=C(O5)[N+](=O)[O-])S4)C6=CC(=C(C=C6Cl)Cl)F","VGJKKOWTTJWXDL-JYFLPCGMSA-N",5472197,NA,"PDBC04457","716885","Present",NA,NA
+"4458","(2Z,5R)-5-(1,3-Benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,5R)-5-(1,3-Benzodioxol-5-yl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one",NA,"C1OC2=C(O1)C=C(C=C2)C3C=C(N=C4N3C(=O)C(=CC5=CC=C(O5)C6=C(C=C(C=C6)Cl)Cl)S4)C7=CC(=C(C=C7Cl)Cl)F","ZTHHSRYRJFSPIK-GZGSKEKVSA-N",5472195,NA,"PDBC04458","716883","Present",NA,NA
+"4459","(2Z,5R)-5-(4-Chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,5R)-5-(4-Chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[(5-nitrofuran-2-yl)methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one",NA,"C1=CC(=CC=C1C2C=C(N=C3N2C(=O)C(=CC4=CC=C(O4)[N+](=O)[O-])S3)C5=CC(=C(C=C5Cl)Cl)F)Cl","OGIMDGGIKKMQKL-XXFXOPOGSA-N",5472196,NA,"PDBC04459","716884","Present",NA,NA
+"4460","(2Z,5R)-5-(4-Chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,5R)-5-(4-Chlorophenyl)-7-(2,4-dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one",NA,"C1=CC(=CC=C1C2C=C(N=C3N2C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)S3)C6=CC(=C(C=C6Cl)Cl)F)Cl","UFWTWFVYUCPJBY-BBPCAZHFSA-N",5472193,NA,"PDBC04460","716881","Present",NA,NA
+"4461","(2Z,5R)-7-(2,4-Dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,5R)-7-(2,4-Dichloro-5-fluorophenyl)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-5-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one",NA,"COC1=CC=C(C=C1)C2C=C(N=C3N2C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)S3)C6=CC(=C(C=C6Cl)Cl)F","HUVDTWPETIHQJH-VVUHKRQXSA-N",5472194,NA,"PDBC04461","716882","Present",NA,NA
+"4462","(2Z,5S,11S,12R)-12-Methoxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),2,8(17),13-tetraen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,5S,11S,12R)-12-Methoxy-3,14-dimethyl-11-prop-1-en-2-yl-6,16-dioxatricyclo[11.2.1.15,8]heptadeca-1(15),2,8(17),13-tetraen-7-one",NA,"CC1=CC2=CC(=C(O2)C(C(CCC3=CC(C1)OC3=O)C(=C)C)OC)C","ODVCRTZCBFWAOL-PQZFABJOSA-N",5470116,NA,"PDBC04462","697738","Present",NA,NA
+"4463","(2Z,5Z)-3-(2-Benzhydrylidenehydrazinyl)-6-hydroxy-1,6-diphenylhexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,5Z)-3-(2-Benzhydrylidenehydrazinyl)-6-hydroxy-1,6-diphenylhexa-2,5-diene-1,4-dione",NA,"C1=CC=C(C=C1)C(=CC(=O)C(=CC(=O)C2=CC=CC=C2)NN=C(C3=CC=CC=C3)C4=CC=CC=C4)O","WHOWIFFBALQAIW-FCTDXPKRSA-N",5470988,NA,"PDBC04463","707063","Present",NA,NA
+"4464","(2Z,5Z)-6-(2-Chlorophenyl)-2,6-dihydroxy-4-oxo-hexa-2,5-dienoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,5Z)-6-(2-Chlorophenyl)-2,6-dihydroxy-4-oxo-hexa-2,5-dienoic acid",NA,"C1=CC=C(C(=C1)C(=CC(=O)C=C(C(=O)O)O)O)Cl","ZMFVQSOGJHNUFA-IEESQIRDSA-N",5467410,NA,"PDBC04464","652165","Present",NA,NA
+"4465","(2Z,6Z,10E,14E,18E)-20-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-6,10,14,18-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]icosa-2,6,10,14,18-pentaenal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,6Z,10E,14E,18E)-20-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-6,10,14,18-tetramethyl-2-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]icosa-2,6,10,14,18-pentaenal",NA,"CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(=O)C=CC1=O)C)C)C)C)C=O)C)C)C","GULGQMRGJIGIOX-JAQZSTLASA-N",5470497,NA,"PDBC04465","702328","Present",NA,NA
+"4466","(2beta,5alpha,12beta,19alpha)-15-Nitroso-1-methyl-3-hydroxy-4beta-acetoxy-16-methoxy-6,7-didehydroaspidospermidine-3alpha-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-nitroso-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)N=O)OC)C","OPLFEHXUPGCMGZ-ACSXSLCXSA-N",399522,NA,"PDBC04466","710385","Present",NA,NA
+"4467","(2e)-1,2-Diphenyl-2-(phenylimino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2e)-1,2-Diphenyl-2-(phenylimino)ethanol",NA,"C1=CC=C(C=C1)C(C(=NC2=CC=CC=C2)C3=CC=CC=C3)O","ZHTOXPUFUPXHPZ-UHFFFAOYSA-N",283239,NA,"PDBC04467","137611","Present",NA,NA
+"4468","(2s)-2-[5-(2,4-Dioxopyrimidin-1-yl)pentoxycarbonylamino]-4-guanidino-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2s)-2-[5-(2,4-Dioxopyrimidin-1-yl)pentoxycarbonylamino]-4-guanidino-butanoic acid",NA,"C1=CN(C(=O)NC1=O)CCCCCOC(=O)NC(CCN=C(N)N)C(=O)O","LGYYAQNLSUMOQN-JTQLQIEISA-N",389367,NA,"PDBC04468","685413","Present",NA,NA
+"4469","(2z,3z)-Bis(p-methoxybenzoylmethylene)-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-[3-[(Z)-2-Hydroxy-2-(4-methoxyphenyl)ethenyl]pyrido[2,3-b]pyrazin-2-yl]-1-(4-methoxyphenyl)ethenol",NA,"COC1=CC=C(C=C1)C(=CC2=NC3=C(N=CC=C3)N=C2C=C(C4=CC=C(C=C4)OC)O)O","AEPNXXNVJNDZMG-YBOYZMIGSA-N",135426825,NA,"PDBC04469","720452","Present",NA,NA
+"4470","(3'Ar,7'aR)-4,4-dimethyl-2-phenylspiro[1,3-thiazole-5,2'-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3'Ar,7'aR)-4,4-dimethyl-2-phenylspiro[1,3-thiazole-5,2'-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3]dithiole]",NA,"CC1(C2(SC3CCCCC3S2)SC(=N1)C4=CC=CC=C4)C","VBQAUJUDMWRJMA-ZIAGYGMSSA-N",402919,NA,"PDBC04470","717241","Present",NA,NA
+"4471","(3'As,7'aS)-spiro[1,3-dithiolane-2,3'-3a,4,5,6,7,7a-hexahydro-1H-indene]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3'As,7'aS)-spiro[1,3-dithiolane-2,3'-3a,4,5,6,7,7a-hexahydro-1H-indene]-2'-one",NA,"C1CCC2C(C1)CC(=O)C23SCCS3","WGGVKUSALOMDKF-IUCAKERBSA-N",359244,NA,"PDBC04471","619952","Present",NA,NA
+"4472","(3'Z,3'Ar,7'aS)-3'-(propan-2-yloxymethylidene)spiro[1,3-dithiolane-2,1'-3a,4,5,6,7,7a-hexahydroindene]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3'Z,3'Ar,7'aS)-3'-(propan-2-yloxymethylidene)spiro[1,3-dithiolane-2,1'-3a,4,5,6,7,7a-hexahydroindene]-2'-one",NA,"CC(C)OC=C1C2CCCCC2C3(C1=O)SCCS3","MJJKNYUDRLMGCY-ZSCUQQAQSA-N",5387112,NA,"PDBC04472","620492","Present",NA,NA
+"4473","(3,3-Bis(benzylthio)-1-propenyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,3-Bis(benzylthio)-1-propenyl)benzene",NA,"C1=CC=C(C=C1)CSC(C=CC2=CC=CC=C2)SCC3=CC=CC=C3","CNHUOVMDLVOTFW-WUKNDPDISA-N",5933112,NA,"PDBC04473","659168","Present",NA,NA
+"4474","(3,4,5-Trihydroxy-6-methoxyoxan-2-yl)methyl N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-pentadecafluoro-5-oxododecyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667651///NSC667652",NA,"COC1C(C(C(C(O1)COC(=O)NCCCCC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O)O)O","DVPFWHCKASIXBH-UHFFFAOYSA-N",381247,NA,"PDBC04474","667651///667652","Present",NA,NA
+"4475","(3,4-Diacetyloxy-5-bromo-6-phenylmethoxyoxan-2-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,4-Diacetyloxy-5-bromo-6-phenylmethoxyoxan-2-yl)methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)OCC2=CC=CC=C2)Br)OC(=O)C)OC(=O)C","MCIKBQANRURJHO-UHFFFAOYSA-N",359622,NA,"PDBC04475","620681","Present",NA,NA
+"4476","(3,4-Dichlorophenyl)-[4-(3,4-dichlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]methanone;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichlorobenzoyl)-4-(3,4-dichlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidinium bromide",NA,"CC[N+]1(CCC(C(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)(C3=CC(=C(C=C3)Cl)Cl)O)C.[Br-]","JRENEHUSEIEQNN-UHFFFAOYSA-M",378649,NA,"PDBC04476","661444","Present",NA,NA
+"4477","(3,4-Dihydroxy-5-oxooxolan-2-yl)methyl tetradecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,4-Dihydroxy-5-oxooxolan-2-yl)methyl tetradecanoate",NA,"CCCCCCCCCCCCCC(=O)OCC1C(C(C(=O)O1)O)O","SNIAYZDSXCKPDE-UHFFFAOYSA-N",360093,NA,"PDBC04477","621943","Present",NA,NA
+"4478","(3,4-Dihydroxyphenyl)-phenyliodanium;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675992",NA,"C1=CC=C(C=C1)[I+]C2=CC(=C(C=C2)O)O.Br","OFCGSNZQRSJGLW-UHFFFAOYSA-O",54611288,NA,"PDBC04478","675992","Present",NA,NA
+"4479","(3,4-Dimethoxyphenyl)(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,4-Dimethoxyphenyl)(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile",NA,"CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC(=C(C=C2)OC)OC","XHWDDXCYHBUILD-UHFFFAOYSA-N",135409027,NA,"PDBC04479","653836","Present",NA,NA
+"4480","(3,4-Dimethoxyphenyl)-[4-(3-methylphenyl)piperazin-1-yl]methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,4-Dimethoxyphenyl)[4-(3-methylphenyl)piperazin-1-yl]methanethione",NA,"CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC(=C(C=C3)OC)OC","CKONIXRQPXPCTM-UHFFFAOYSA-N",256566,NA,"PDBC04480","83502","Present",NA,NA
+"4481","(3,4-Dimethylphenyl)methyl N'-phenylcarbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethylbenzyl phenylcarbamimidothioate, hydrochloride",NA,"CC1=C(C=C(C=C1)CSC(=NC2=CC=CC=C2)N)C.Cl","SSYYDGSTVNANPL-UHFFFAOYSA-N",24195149,NA,"PDBC04481","176410","Present",NA,NA
+"4482","(3,5-Di-tert-butyl-4-hydroxybenzyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, (3,5-di-tert-butyl-4-hydroxybenzyl)tripheny...",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","SBGJXXOQQZZMGU-UHFFFAOYSA-N",10257261,NA,"PDBC04482","157371","Present",NA,NA
+"4483","(3,5-Dibromo-2-hydroxy-benzylidene)-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,5-dibromo-2-hydroxy-benzylidene-hydrazinocarbonylmeth...",NA,"C1=C(C=C(C(=C1C=NNC(=O)CSCC(=O)NN=CC2=C(C(=CC(=C2)Br)Br)O)O)Br)Br","OTZZLFLYYBVBKH-XIBKSJEISA-N",135436443,NA,"PDBC04483","724065","Present",NA,NA
+"4484","(3,5-Dichloro-2-hydroxy-benzylidene)-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,5-dichloro-2-hydroxy-benzylidene-hydrazinocarbonylmet...",NA,"C1=C(C=C(C(=C1C=NNC(=O)CSCC(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl","PAUJVTJURUVVRG-XIBKSJEISA-N",135436441,NA,"PDBC04484","724061","Present",NA,NA
+"4485","(3,5-Dichloro-2-hydroxyphenyl)methyl carbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-dichloro-2-hydroxybenzyl-carbamido-thioate, hydrochl...",NA,"C1=C(C=C(C(=C1CSC(=N)N)O)Cl)Cl.Cl","NKSRJZFLQHGHOE-UHFFFAOYSA-N",5351697,NA,"PDBC04485","20878","Present",NA,NA
+"4486","(3,5-Dimethyl-1,1-dioxo-2-phenyl-4-thiocyanato-thiazin-6-yl) thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,5-Dimethyl-1,1-dioxo-2-phenyl-4-thiocyanato-thiazin-6-yl) thiocyanate",NA,"CC1=C(S(=O)(=O)N(C(=C1SC#N)C)C2=CC=CC=C2)SC#N","GXCAAQHHFMUJKS-UHFFFAOYSA-N",364158,NA,"PDBC04486","629830","Present",NA,NA
+"4487","(3,5-Dimethyl-1,2-oxazol-4-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(e)-(3,5-Dimethylisoxazol-4-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene",NA,"CC1=C(C(=NO1)C)N=NC2=CC3=C(C=C2)N=C(N3)C","QMZFGPFGLKXBSE-UHFFFAOYSA-N",396640,NA,"PDBC04487","703139","Present",NA,NA
+"4488","(3,5-Dimethyl-4H-pyrazol-4-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(e)-(3,5-Dimethyl-4h-pyrazol-4-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene",NA,"CC1=NN=C(C1N=NC2=CC3=C(C=C2)N=C(N3)C)C","OJIDFSXLVISQLH-UHFFFAOYSA-N",396639,NA,"PDBC04488","703138","Present",NA,NA
+"4489","(3,5-Dimethyl-6-oxo-3,6-dihydro-2H-1,4-oxazin-3-yl)methyl 4-(hydroxymethyl)-2,4-dimethyl-1,3-oxazolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,5-Dimethyl-6-oxo-2H-1,4-oxazin-3-yl)methyl 4-(hydroxymethyl)-2,4-dimethyl-1,3-oxazolidine-2-carboxylate",NA,"CC1=NC(COC1=O)(C)COC(=O)C2(NC(CO2)(C)CO)C","IVDWMMUHUNCHLW-UHFFFAOYSA-N",354532,NA,"PDBC04489","606535","Present",NA,NA
+"4490","(3,5-Dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,5-Dimethylphenyl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride",NA,"CC1=CC(=CC(=C1)C(=N)C2=CC=CC=C2CC3=CC=CC4=CC=CC=C43)C.Cl","WOMKVSGMAMIPRV-UHFFFAOYSA-N",5351940,NA,"PDBC04490","99543","Present",NA,NA
+"4491","(3,5-Ditert-butyl-2-methoxy-phenyl)-(4-nitrophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,5-Di-tert-butyl-2-methoxyphenyl)(4-nitrophenyl)methanone",NA,"CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OC)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]","ZAKXVLKPKLFGSV-UHFFFAOYSA-N",362901,NA,"PDBC04491","627376","Present",NA,NA
+"4492","(3,7-Trimethyladamantane-1-olato)ethoxybis(1-phenylbutane-1,3-dionato]titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,5,7-Trimethyladamantane-1-olato)ethoxybis(1-phenylbut...",NA,"CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC12CC3(CC(C1)(CC(C2)(C3)[O-])C)C.[Ti+4]","UGYYGLGUQTVJSH-UHFFFAOYSA-N",368329,NA,"PDBC04492","639086","Present",NA,NA
+"4493","(3,8,9-Triacetyloxybenzo[c]phenanthridin-2-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,8,9-Triacetyloxybenzo[c]phenanthridin-2-yl) acetate",NA,"CC(=O)OC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)OC(=O)C","PSZGYLBXZNOKSU-UHFFFAOYSA-N",301457,NA,"PDBC04493","179201","Present",NA,NA
+"4494","(3-(1H-Imidazol-1-yl)-2-quinoxalinyl)((4-methylphenyl)sulfonyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(1H-Imidazol-1-yl)-2-quinoxalinyl)((4-methylphenyl)sulfonyl)acetonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4C=CN=C4","SIGJPFWZEKQQEH-UHFFFAOYSA-N",375325,NA,"PDBC04494","654899","Present",NA,NA
+"4495","(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone",NA,"CC1(COC(=N1)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3)C","GTUFNLUUARSYBI-UHFFFAOYSA-N",382481,NA,"PDBC04495","670087","Present",NA,NA
+"4496","(3-(4-(Bis(2-chloroethyl)amino)phenyl)propyl)-carbamic acid 2-((6-(5-hydroxy-2-(4-hydroxyphenyl)-3-methyl-1H-indol-1-yl)hexyl)amino)ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [3-[4-[bis(2-chloroethyl)amino]phenyl] pr...",NA,"CC1=C(N(C2=C1C=C(C=C2)O)CCCCCCNCCOC(=O)NCCCC3=CC=C(C=C3)N(CCCl)CCCl)C4=CC=C(C=C4)O","YVOFRAFRSOZULZ-UHFFFAOYSA-N",393600,NA,"PDBC04496","695794","Present",NA,NA
+"4497","(3-(4-Methylphenyl)-1H-1,2,4-triazol-5-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]acetonitrile",NA,"CC1=CC=C(C=C1)C2=NNC(=N2)CC#N","WKBJGNCUYXEFMP-UHFFFAOYSA-N",386777,NA,"PDBC04497","679485","Present",NA,NA
+"4498","(3-(5,6-Dimethyl-1H-benzimidazol-1-yl)-2-quinoxalinyl)(methylsulfonyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(5,6-Dimethyl-1H-benzimidazol-1-yl)-2-quinoxalinyl)(methylsulfonyl)acetonitrile",NA,"CC1=CC2=C(C=C1C)N(C=N2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C","GTDCBXFXPAKOLN-UHFFFAOYSA-N",375023,NA,"PDBC04498","653849","Present",NA,NA
+"4499","(3-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)cyclopentyl)methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)cyclopentyl)methylphosphonic acid",NA,"C1CC(CC1CP(=O)(O)O)N2C=NC(=C2N)C(=O)N","MXGWKAFXPBGRQI-UHFFFAOYSA-N",379788,NA,"PDBC04499","664880","Present",NA,NA
+"4500","(3-(6-Amino-9H-purin-9-yl)cyclopentyl)methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(6-Amino-9H-purin-9-yl)cyclopentyl)methylphosphonic acid",NA,"C1CC(CC1CP(=O)(O)O)N2C=NC3=C(N=CN=C32)N","GPQNJKFCMWNHAY-UHFFFAOYSA-N",379790,NA,"PDBC04500","664882","Present",NA,NA
+"4501","(3-(7-Amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)cyclopentyl)methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(7-Amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)cyclopentyl)methylphosphonic acid",NA,"C1CC(CC1CP(=O)(O)O)N2C3=NC=NC(=C3N=N2)N","FJMRAZBMGVHZCK-UHFFFAOYSA-N",379792,NA,"PDBC04501","664884","Present",NA,NA
+"4502","(3-(Acetyloxy)-7-(1-(acetyloxy)ethyl)-3a-methyldodecahydro-1H-cyclopenta[a]naphthalen-6-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Acetyloxy-7-(1-acetyloxyethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl acetate",NA,"CC(C1CCC2C(C1COC(=O)C)CCC3(C2CCC3OC(=O)C)C)OC(=O)C","ZAFHWUCEOHMPTI-UHFFFAOYSA-N",386105,NA,"PDBC04502","677737","Present",NA,NA
+"4503","(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)methanol",NA,"C1CC(CC1OCC2=CC=CC=C2)(CNC3=C(C(=NC(=N3)N)Cl)N)CO","XOWUNSSKRQVANA-UHFFFAOYSA-N",385254,NA,"PDBC04503","676365","Present",NA,NA
+"4504","(3-(Benzyloxy)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromen-2-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(Benzyloxy)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromen-2-yl)methanol",NA,"C1C2=CC=CC=C2C3C(O1)C(C(O3)CO)OCC4=CC=CC=C4","YIRCGTPRDKWRHB-UHFFFAOYSA-N",362356,NA,"PDBC04504","626101","Present",NA,NA
+"4505","(3-(Bromomethyl)benzyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC81280",NA,"C1=CC=C(C=C1)[P+](CC2=CC(=CC=C2)CBr)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","FJWFZQIEGHAMIZ-UHFFFAOYSA-M",22269430,NA,"PDBC04505","81280","Present",NA,NA
+"4506","(3-(Cyclopropylidenemethoxy)-1-propynyl)(trimethyl)silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(Cyclopropylidenemethoxy)-1-propynyl)(trimethyl)silane",NA,"C[Si](C)(C)C#CCOC=C1CC1","NPIIIYVZKHQUAW-UHFFFAOYSA-N",380812,NA,"PDBC04506","666532","Present",NA,NA
+"4507","(3-(Diphenylboryl)-2,4,6-triisopropylphenyl)(diphenyl)borane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(Diphenylboryl)-2,4,6-triisopropylphenyl)(diphenyl)borane",NA,"B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C(=C(C=C3C(C)C)C(C)C)B(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C","DDLNPICWDVOKQG-UHFFFAOYSA-N",381646,NA,"PDBC04507","668465","Present",NA,NA
+"4508","(3-(Tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamothioic acid, [4-chloro-3-[(1,1-dimethylethoxy) im...",NA,"CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C=NOC(C)(C)C","RCXQHLSNKCYCLP-RQZCQDPDSA-N",9554700,NA,"PDBC04508","645542","Present",NA,NA
+"4509","(3-(Trifluoromethyl)anilino)(2-(trifluoromethyl)phenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(Trifluoromethyl)anilino)(2-(trifluoromethyl)phenyl)acetonitrile",NA,"C1=CC=C(C(=C1)C(C#N)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F","NSTPNFTWKQYQIY-UHFFFAOYSA-N",375079,NA,"PDBC04509","654017","Present",NA,NA
+"4510","(3-(Vinyloxy)propoxy)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyoxyethyl vinyl ether (PhEVE)",NA,"C=COCCCOC1=CC=CC=C1","DWJFYMOGCRXAJA-UHFFFAOYSA-N",375100,NA,"PDBC04510","654111","Present",NA,NA
+"4511","(3-Acetoxy-2-hexadecanoyloxy-propoxy)phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Acetoxy-2-hexadecanoyloxy-propoxy)phosphinic acid",NA,"CCCCCCCCCCCCCCCC(=O)OC(COC(=O)C)CO[P+](=O)O","MTRBDFUGNPLHGV-UHFFFAOYSA-O",6328843,NA,"PDBC04511","696392","Present",NA,NA
+"4512","(3-Acetoxy-6-hex-5-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hexenyl 4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranoside",NA,"CC(=O)OCC1C(C=CC(O1)OCCCCC=C)OC(=O)C","ICSXSSIMJYVWET-UHFFFAOYSA-N",388309,NA,"PDBC04512","683041","Present",NA,NA
+"4513","(3-Acetoxy-6-undec-10-enoxy-3,6-dihydro-2H-pyran-2-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Undecenyl 4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranoside",NA,"CC(=O)OCC1C(C=CC(O1)OCCCCCCCCCC=C)OC(=O)C","WJFWWTCVEIIYIF-UHFFFAOYSA-N",388310,NA,"PDBC04513","683042","Present",NA,NA
+"4514","(3-Acetyl-1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Acetyl-1-oxido-4-oxoquinoxalin-4-ium-2-yl)methyl nitrate",NA,"CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CO[N+](=O)[O-]","TWCCTXZQVFWQLO-UHFFFAOYSA-N",354844,NA,"PDBC04514","607532","Present",NA,NA
+"4515","(3-Acetyloxy-6-pyridin-2-ylsulfanyl-3,6-dihydro-2H-pyran-2-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Acetyloxy-6-pyridin-2-ylsulfanyl-3,6-dihydro-2H-pyran-2-yl)methyl acetate",NA,"CC(=O)OCC1C(C=CC(O1)SC2=CC=CC=N2)OC(=O)C","WEJNVQBVBINUNA-UHFFFAOYSA-N",359613,NA,"PDBC04515","620650","Present",NA,NA
+"4516","(3-Allyl-7-hydroxy[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-ylidene)(1H-benzimidazol-2-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Allyl-7-hydroxy[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-ylidene)(1H-benzimidazol-2-yl)acetonitrile",NA,"C=CCN1C2=C(C(=O)NC=N2)SC1=C(C#N)C3=NC4=CC=CC=C4N3","XPTYPOFRFWEOOA-YVLHZVERSA-N",135484989,NA,"PDBC04516","652046","Present",NA,NA
+"4517","(3-Amino-1H-cyclopenta[b]quinoxalin-1-yl)-pyridin-4-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Amino-1h-cyclopenta[b]quinoxalin-1-yl)-(4-pyridyl)methanone",NA,"C1=CC=C2C(=C1)N=C3C(C=C(C3=N2)N)C(=O)C4=CC=NC=C4","OGCQPZHOIFQKIG-UHFFFAOYSA-N",395808,NA,"PDBC04517","700696","Present",NA,NA
+"4518","(3-Amino-2-methyl-3-oxopropyl) carbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC51867",NA,"CC(CSC(=N)N)C(=O)N.Cl","FQFWGOIVNPPQJA-UHFFFAOYSA-N",54605215,NA,"PDBC04518","51867","Present",NA,NA
+"4519","(3-Amino-5-ethynyl-6-methoxy-1H-indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-amino-5-ethynyl-6-methoxy-1H-indol-2-yl)(3,4,5-trimet...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=C(N2)C=C(C(=C3)C#C)OC)N","BELKHPNHLFJBRU-UHFFFAOYSA-N",155808439,NA,"PDBC04519","777176","Present",NA,NA
+"4520","(3-Amino-benzenesulfonylamino)-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Amino-benzenesulfonylamino)-acetic acid",NA,"C1=CC(=CC(=C1)S(=O)(=O)NCC(=O)O)N","BNQOCIJJZIHWLK-UHFFFAOYSA-N",362688,NA,"PDBC04520","626926","Present",NA,NA
+"4521","(3-Aminophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Aminophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,"CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC(=C1)N","OHSPPTWLKKBPIV-UHFFFAOYSA-N",394912,NA,"PDBC04521","699005","Present",NA,NA
+"4522","(3-Aminopropoxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Aminopropoxy)acetic acid",NA,"C(CN)COCC(=O)O","PQRFOXXNMIPQFX-UHFFFAOYSA-N",362707,NA,"PDBC04522","626946","Present",NA,NA
+"4523","(3-Azabicyclo[3.2.2]nonan-3-yl){(E)-[(1Z)-1-(1-hydroxypyridin-2(1H)-ylidene)ethyl]diazenyl}methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azabicyclo[3.2.2]nonane-3-carbothioic acid,[1-(1-oxido...",NA,"CC(=C1C=CC=CN1O)N=NC(=S)N2CC3CCC(C2)CC3","JXKAUGIWBHDWSM-ZYJJYICWSA-N",44383448,NA,"PDBC04523","351074","Present",NA,NA
+"4524","(3-Benzamido-4-hydroxyphenyl)arsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-92892",NA,"C1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)[As](=O)(O)O)O","HLKFPDASZNJDCP-UHFFFAOYSA-N",261032,NA,"PDBC04524","92892","Present",NA,NA
+"4525","(3-Benzoyl-3-chloro-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Benzoyl-3-chloro-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid",NA,"C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)(C(=O)C4=CC=CC=C4)Cl","FZHHXKOSWGNPIC-UHFFFAOYSA-N",385909,NA,"PDBC04525","677371","Present",NA,NA
+"4526","(3-Benzoyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Benzoyl-4-oxo-2-phenyl-3,4-dihydro-2H-chromen-8-yl)acetic acid",NA,"C1=CC=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)C(=O)C4=CC=CC=C4","YELWIFSXUUARFF-UHFFFAOYSA-N",385910,NA,"PDBC04526","677372","Present",NA,NA
+"4527","(3-Benzoyl-6-hydroxy-4-methoxy-2-bicyclo[2.2.2]oct-2-enyl)-phenyl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Benzoyl-6-hydroxy-4-methoxy-2-bicyclo[2.2.2]oct-2-enyl)-phenyl-methanone",NA,"COC12CCC(C(C1)O)C(=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","SPSBAJLBBLGQKG-UHFFFAOYSA-N",372664,NA,"PDBC04527","648197","Present",NA,NA
+"4528","(3-Benzoyloxy-2-dibenzyloxyphosphoryloxy-5-iodo-6-methyl-tetrahydropyran-4-yl) benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Benzoyloxy-2-dibenzyloxyphosphoryloxy-5-iodo-6-methyl-tetrahydropyran-4-yl) benzoate",NA,"CC1C(C(C(C(O1)OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)I","DJBHCAQXADHLMR-UHFFFAOYSA-N",373951,NA,"PDBC04528","650983","Present",NA,NA
+"4529","(3-Benzoyloxy-6-hydroxy-2-methyloxan-4-yl) benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Benzoyloxy-6-hydroxy-2-methyloxan-4-yl) benzoate",NA,"CC1C(C(CC(O1)O)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3","VNYPKNHJPZZNQO-UHFFFAOYSA-N",359624,NA,"PDBC04529","620683","Present",NA,NA
+"4530","(3-Benzyl-1H-1,2,4-triazol-5-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-04723",NA,"C1=CC=C(C=C1)CC2=NC(=NN2)CC#N","HJLWPRWMFQIXJX-UHFFFAOYSA-N",386779,NA,"PDBC04530","679487","Present",NA,NA
+"4531","(3-Bromo-1,4-dihydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(2-methylphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Bromo-1,4-dihydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)-(2-methylphenyl)methanone",NA,"CC1=CC=CC=C1C(=O)C2=C(C3=C(CCCC3)C(=C2Br)O)O","GUHQSCGHCWBMKA-UHFFFAOYSA-N",438102,NA,"PDBC04531","618212","Present",NA,NA
+"4532","(3-Bromo-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)-naphthalen-1-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Bromo-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)(naphthalen-1-yl)methanone",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)(C(=O)C2=CC=CC3=CC=CC=C32)Br","PGWMBGZDWCOARO-UHFFFAOYSA-N",386598,NA,"PDBC04532","679048","Present",NA,NA
+"4533","(3-Bromo-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Bromo-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)(phenyl)methanone",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)(C(=O)C2=CC=CC=C2)Br","PSTCPFUETPIAFN-UHFFFAOYSA-N",375068,NA,"PDBC04533","653952","Present",NA,NA
+"4534","(3-Bromo-2,3-dichloro-1-(dichloromethylene)-2-propenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Bromo-2,3-dichloro-1-(dichloromethylene)-2-propenyl)(hydroxy)azane oxide",NA,"C(=C(Cl)Cl)(C(=C(Cl)Br)Cl)[N+](=O)[O-]","GSJNCTPODOZYHV-HNQUOIGGSA-N",3005158,NA,"PDBC04534","678038","Present",NA,NA
+"4535","(3-Bromo-2,4,6-triisopropylphenyl)(diphenyl)borane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Bromo-2,4,6-triisopropylphenyl)(diphenyl)borane",NA,"B(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C(=C(C=C3C(C)C)C(C)C)Br)C(C)C","VLHVQWRSMUIPQO-UHFFFAOYSA-N",381645,NA,"PDBC04535","668464","Present",NA,NA
+"4536","(3-Bromophenyl) (E)-3-phenylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Bromophenyl) (E)-3-phenylprop-2-enoate",NA,"C1=CC=C(C=C1)C=CC(=O)OC2=CC(=CC=C2)Br","NSOCAUIOUMJWRD-MDZDMXLPSA-N",5876919,NA,"PDBC04536","700124","Present",NA,NA
+"4537","(3-Bromopropyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, (3-bromopropyl)triphenyl- bromide",NA,"C1=CC=C(C=C1)[P+](CCCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","ZAHUZZUGJRPGKW-UHFFFAOYSA-M",2723862,NA,"PDBC04537","84074","Present",NA,NA
+"4538","(3-Chloro-1-benzothiophen-2-yl)-[4-methylidene-2-(2,4,6-trimethylphenyl)imino-3-thia-1-azaspiro[4.5]decan-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Chloro-1-benzothiophen-2-yl)-[4-methylidene-2-(2,4,6-trimethylphenyl)imino-3-thia-1-azaspiro[4.5]decan-1-yl]methanone",NA,"CC1=CC(=C(C(=C1)C)N=C2N(C3(CCCCC3)C(=C)S2)C(=O)C4=C(C5=CC=CC=C5S4)Cl)C","HGXZSOPAHONQJE-UHFFFAOYSA-N",326893,NA,"PDBC04538","299382","Present",NA,NA
+"4539","(3-Chloro-2-quinoxalinyl)(methylsulfonyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Chloro-2-quinoxalinyl)(methylsulfonyl)acetonitrile",NA,"CS(=O)(=O)C(C#N)C1=NC2=CC=CC=C2N=C1Cl","HCBKJMMCLYMRGI-UHFFFAOYSA-N",375324,NA,"PDBC04539","654898","Present",NA,NA
+"4540","(3-Chloro-4-(2-(4-(2-hydroxyethyl)-1-piperazinyl)-1,1-dimethyl-2-oxoethoxy)phenyl)(4-chlorophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Chloro-4-(4-chlorobenzoyl)phenoxy]-1-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methyl-propan-1-one",NA,"CC(C)(C(=O)N1CCN(CC1)CCO)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)Cl","AQKYULZBAHEEFZ-UHFFFAOYSA-N",378556,NA,"PDBC04540","661194","Present",NA,NA
+"4541","(3-Chloro-4-(3-(2-chloro-4-(4-chlorobenzoyl)phenoxy)propoxy)phenyl)(4-chlorophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Chloro-4-(3-(2-chloro-4-(4-chlorobenzoyl)phenoxy)propoxy)phenyl)(4-chlorophenyl)methanone",NA,"C1=CC(=CC=C1C(=O)C2=CC(=C(C=C2)OCCCOC3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)Cl)Cl)Cl","IPVZIFGFMUOIJB-UHFFFAOYSA-N",373058,NA,"PDBC04541","648890","Present",NA,NA
+"4542","(3-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,"C1=CC=C(C(=C1)C(=O)OC2=CC(=CC=C2)Cl)NC3=CC(=NC=C3)C(F)(F)F","ZQYISAAAUBFWMX-UHFFFAOYSA-N",11545634,NA,"PDBC04542","731823","Present",NA,NA
+"4543","(3-Chlorophenyl) 6-(acetyloxymethyl)-2-oxochromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chlorophenyl 6-[(acetyloxy)methyl]-2-oxo-2h-chromene-3-carboxylate",NA,"CC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CC=C3)Cl","ZSRTUTIVYCMTOS-UHFFFAOYSA-N",402517,NA,"PDBC04543","716543","Present",NA,NA
+"4544","(3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-08608",NA,"C1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl","XDUDZMHWULSAEP-UHFFFAOYSA-N",375022,NA,"PDBC04544","653848","Present",NA,NA
+"4545","(3-Cyano-4,6-dimethylpyridin-2-yl) N-(4-chlorobenzoyl)carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Cyano-4,6-dimethylpyridin-2-yl) N-(4-chlorobenzoyl)carbamodithioate",NA,"CC1=CC(=NC(=C1C#N)SC(=S)NC(=O)C2=CC=C(C=C2)Cl)C","JCDHCSBVZXUHNA-UHFFFAOYSA-N",3950354,NA,"PDBC04545","699979","Present",NA,NA
+"4546","(3-Cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Cyanophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate",NA,"COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC(=C4)C#N)OC)OC","YWIZEUWFWOOXOJ-UHFFFAOYSA-N",372991,NA,"PDBC04546","648779","Present",NA,NA
+"4547","(3-Difluoromethyl-6,4-dioxy-quinoxalin-2-yl)-phenyl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Difluoromethyl-6,7-dimethyl-1,4-dioxy-quinoxalin-2-yl...",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)F)C(=O)C3=CC=CC=C3","FBLVQHGSDOSVRW-UHFFFAOYSA-N",54612713,NA,"PDBC04547","742327","Present",NA,NA
+"4548","(3-Fluoro-1-adamantyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Fluoro-1-adamantyl)urea",NA,"C1C2CC3(CC1CC(C2)(C3)F)NC(=O)N","SBUGVGNGQYOBAX-UHFFFAOYSA-N",371829,NA,"PDBC04548","646345","Present",NA,NA
+"4549","(3-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate",NA,"COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC(=CC=C4)F)OC)OC","QRBGQIJPIBOGPY-UHFFFAOYSA-N",372989,NA,"PDBC04549","648777","Present",NA,NA
+"4550","(3-Hexadecoxy-2-methoxy-propyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Hexadecoxy-2-methoxy-propyl)-(2-pyridin-1-ium-1-ylethoxy)phosphinic acid",NA,"CCCCCCCCCCCCCCCCOCC(CP(=O)([O-])OCC[N+]1=CC=CC=C1)OC","XQSDGNQFOBIPLM-UHFFFAOYSA-N",372660,NA,"PDBC04550","648156","Present",NA,NA
+"4551","(3-Hydroxy-2,4-dimethoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-hydroxy-2,4-dimethoxy-phenyl)-(4-methoxy-3,5-dimethyl...",NA,"CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)O)OC","KJXSZTITQSZGTL-UHFFFAOYSA-N",155809424,NA,"PDBC04551","797554","Present",NA,NA
+"4552","(3-Hydroxy-4-oxo-2-phenyl-chromen-8-yl)methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Hydroxy-4-oxo-2-phenyl-chromen-8-yl)methylphosphonic acid",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC(=C3O2)CP(=O)(O)O)O","NILYJTDVJSAJGI-UHFFFAOYSA-N",388158,NA,"PDBC04552","682722","Present",NA,NA
+"4553","(3-Hydroxy-5-oxooxolan-2-yl)methyl tetradecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Hydroxy-5-oxooxolan-2-yl)methyl tetradecanoate",NA,"CCCCCCCCCCCCCC(=O)OCC1C(CC(=O)O1)O","SWPRAYWOIPKXHO-UHFFFAOYSA-N",360095,NA,"PDBC04553","621945","Present",NA,NA
+"4554","(3-Hydroxy-7-methyl-2-quinoxalinyl)(phenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Hydroxy-7-methyl-2-quinoxalinyl)(phenyl)acetonitrile",NA,"CC1=CC2=C(C=C1)NC(=O)C(=N2)C(C#N)C3=CC=CC=C3","WQMCNXDMMZKGMZ-UHFFFAOYSA-N",360296,NA,"PDBC04554","622331","Present",NA,NA
+"4555","(3-Hydroxynaphthalen-2-yl)(piperidin-1-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z27689057",NA,"C1CCN(CC1)C(=O)C2=CC3=CC=CC=C3C=C2O","SWULXLRLSMCRQM-UHFFFAOYSA-N",235588,NA,"PDBC04555","37162","Present",NA,NA
+"4556","(3-Iodo-1,1-diphenylpropyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-IODO-1,1,1-TRIPHENYLPROPANE",NA,"C1=CC=C(C=C1)C(CCI)(C2=CC=CC=C2)C3=CC=CC=C3","HUBLQWZBFWLUGW-UHFFFAOYSA-N",219128,NA,"PDBC04556","26","Present",NA,NA
+"4557","(3-Iodo-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)-naphthalen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Iodo-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)(naphthalen-2-yl)methanone",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)(C(=O)C2=CC3=CC=CC=C3C=C2)I","OQUMDXSOHGYTJP-UHFFFAOYSA-N",386596,NA,"PDBC04557","679046","Present",NA,NA
+"4558","(3-Isopropoxy-2-methyl-1-triisopropylsilyloxy-9H-carbazol-4-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Isopropoxy-2-methyl-1-triisopropylsilyloxy-9H-carbazol-4-yl) acetate",NA,"CC1=C(C2=C(C3=CC=CC=C3N2)C(=C1OC(C)C)OC(=O)C)O[Si](C(C)C)(C(C)C)C(C)C","CGOKYOIRKCAVPD-UHFFFAOYSA-N",389256,NA,"PDBC04558","685009","Present",NA,NA
+"4559","(3-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methoxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl)acetic acid",NA,"COC1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC(=C3O2)CC(=O)O)OC","RAHMRPZPSDMNKC-UHFFFAOYSA-N",388155,NA,"PDBC04559","682719","Present",NA,NA
+"4560","(3-Methoxyphenyl) 2-(2-chloro-6-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methoxyphenyl) 2-(2-chloro-6-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate",NA,"CC1=C(C(=CC=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)OC3=CC=CC(=C3)OC","GJBCZCMRLDTVFV-UHFFFAOYSA-N",24205396,NA,"PDBC04560","735364","Present",NA,NA
+"4561","(3-Methoxyphenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methoxyphenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate",NA,"CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)OC3=CC=CC(=C3)OC","ODKQCNGPDKXKSG-UHFFFAOYSA-N",24204985,NA,"PDBC04561","733901","Present",NA,NA
+"4562","(3-Methoxyphenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methoxyphenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,"COC1=CC(=CC=C1)OC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F","CKIDAJRBMGKAPF-UHFFFAOYSA-N",11682519,NA,"PDBC04562","731819","Present",NA,NA
+"4563","(3-Methoxyphenyl)(oxo)arsane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-31747",NA,"COC1=CC(=CC=C1)[As]=O","VHYPDQBADMLRDN-UHFFFAOYSA-N",233323,NA,"PDBC04563","31747","Present",NA,NA
+"4564","(3-Methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)-(2,6,6-trimethylcyclohexen-1-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methyl-1,1-dioxo-2,5-dihydrothiophen-2-yl)-(2,6,6-trimethylcyclohexen-1-yl)methanol",NA,"CC1=C(C(CCC1)(C)C)C(C2C(=CCS2(=O)=O)C)O","QFXAVRIMIVBVLD-UHFFFAOYSA-N",392008,NA,"PDBC04564","691807","Present",NA,NA
+"4565","(3-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-yl)hydrazine",NA,"CC1CNC2=CC=CC=C2N=C1NN","VQHPAPNPFHFKIK-UHFFFAOYSA-N",397537,NA,"PDBC04565","705845","Present",NA,NA
+"4566","(3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methyl-2,6-dihydro-1,3,5-oxadiazin-4-yl)cyanamide",NA,"CN1COCN=C1NC#N","ZQRRDAGXEAOZLK-UHFFFAOYSA-N",370390,NA,"PDBC04566","643484","Present",NA,NA
+"4567","(3-Methylcyclohex-3-en-1-yl) carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methylcyclohex-3-en-1-yl) carbamate",NA,"CC1=CCCC(C1)OC(=O)N","SYCOBYSWOLOHAL-UHFFFAOYSA-N",359573,NA,"PDBC04567","620565","Present",NA,NA
+"4568","(3-Methylene-6-nitro-indolin-1-yl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methylene-6-nitro-indolin-1-yl)-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(=C)C4=C3C=C(C=C4)[N+](=O)[O-])OC)OC","DWSICZZEASBORM-UHFFFAOYSA-N",390674,NA,"PDBC04568","688305","Present",NA,NA
+"4569","(3-Methylphenyl){3,4,4-trichloro-1-[(3-methylphenyl)amino]-2-nitrobuta-1,3-die nyl}amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,4-Trichloro-1-N,1-N'-bis(3-methylphenyl)-2-nitrobuta-1,3-diene-1,1-diamine",NA,"CC1=CC(=CC=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC(=C2)C","PBADZNPZQVRIDH-UHFFFAOYSA-N",394690,NA,"PDBC04569","698358","Present",NA,NA
+"4570","(3-Methylquinoxalin-2-yl)-phenyldiazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Methyl-3-(phenyldiazenyl)quinoxaline;CS-5646",NA,"CC1=NC2=CC=CC=C2N=C1N=NC3=CC=CC=C3","HUXPPDSCOMVLMY-UHFFFAOYSA-N",121230984,NA,"PDBC04570","792789","Present",NA,NA
+"4571","(3-Nitro-9H-fluoren-9-yl) carbamimidothioate;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Nitro-9H-fluoren-9-yl) carbamimidothioate;hydrobromide",NA,"C1=CC=C2C(=C1)C(C3=C2C=C(C=C3)[N+](=O)[O-])SC(=N)N.Br","PUMAOGCVDOOJGG-UHFFFAOYSA-N",5458387,NA,"PDBC04571","175650","Present",NA,NA
+"4572","(3-Nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Nitrophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate",NA,"COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC(=C4)[N+](=O)[O-])OC)OC","FMMDBKJNHOXPHT-UHFFFAOYSA-N",372993,NA,"PDBC04572","648781","Present",NA,NA
+"4573","(3-Nitrophenyl)(phenyl)iodanium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Nitrophenyl)(phenyl)iodanium bromide",NA,"C1=CC=C(C=C1)[I+]C2=CC=CC(=C2)[N+](=O)[O-].[Br-]","YADZVEBHDOVDJJ-UHFFFAOYSA-M",24190300,NA,"PDBC04573","106640","Present",NA,NA
+"4574","(3-Nitrophenyl)methyl carbamimidothioate--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamimidothioic acid, (3-nitrophenyl)methyl ester, mon...",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])CSC(=N)N.Cl","LFDGHEHBNZQIMU-UHFFFAOYSA-N",13266248,NA,"PDBC04574","176728","Present",NA,NA
+"4575","(3-O-Benzoyl-2,6-dideoxy-alpha-L-glycero-hex-2-enopyranos-4-ulosyl) uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-O-benzoyl-2,6-dideoxy-.alpha.-L-glycero-hex-2-enopyra...",NA,"CC1C(=O)C(=CC(O1)N2C=CC(=O)NC2=O)OC(=O)C3=CC=CC=C3","JUZSDIHOQCXFBF-UHFFFAOYSA-N",365892,NA,"PDBC04575","633973","Present",NA,NA
+"4576","(3-Oxo-2H-1$l^{3},2-benziodazol-1-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Oxo-2H-1$l^{3},2-benziodazol-1-yl) acetate",NA,"CC(=O)OI1C2=CC=CC=C2C(=O)N1","YSJTUDMXQVOXKV-UHFFFAOYSA-N",392252,NA,"PDBC04576","692393","Present",NA,NA
+"4577","(3-Phenoxypropyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: ro3pr&r&r &e &4/12",NA,"C1=CC=C(C=C1)OCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","RXOVIECCQDDPAL-UHFFFAOYSA-M",3048782,NA,"PDBC04577","84069","Present",NA,NA
+"4578","(3-Sulfanylidene-5,6-dihydroimidazo[2,1-c][1,2,4]thiadiazol-7-yl) 2-[(3,4-dimethoxyphenyl)sulfonylamino]-4,5-dihydroimidazole-1-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethoxy-benzenesulfonylimino)-imidazolidine-1-c...",NA,"COC1=C(C=C(C=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S)OC","ZQRYRWIRCZCNTF-UHFFFAOYSA-N",24205515,NA,"PDBC04578","736070","Present",NA,NA
+"4579","(3-Tert-Butoxycarbonylamino-2-carbamoyl-propyl)-carbamic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Tert-Butoxycarbonylamino-2-carbamoyl-propyl)-carbamic acid tert-butyl ester",NA,"CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C(=O)N","CFCPJSXDMKZEEG-UHFFFAOYSA-N",375634,NA,"PDBC04579","655456","Present",NA,NA
+"4580","(3-Tert-Butyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Tert-Butyl-1-methyl-2-oxo-2,3-dihydro-1H-indol-3-yl)acetaldehyde",NA,"CC(C)(C)C1(C2=CC=CC=C2N(C1=O)C)CC=O","ZSLXJJFXYKBEKK-UHFFFAOYSA-N",393198,NA,"PDBC04580","694686","Present",NA,NA
+"4581","(3-Tert-butyloxetan-3-yl)methyl 4-aminobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Tert-butyloxetan-3-yl)methyl 4-aminobenzoate",NA,"CC(C)(C)C1(COC1)COC(=O)C2=CC=C(C=C2)N","MECODBRWJMMGAB-UHFFFAOYSA-N",398436,NA,"PDBC04581","708135","Present",NA,NA
+"4582","(3-Thienyl)(benzo[c][2,7]naphthyridine-4-yl) ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[c][2,7]naphthyridin-4-yl(thiophen-3-yl)methanone",NA,"C1=CC=C2C(=C1)C3=C(C=N2)C(=NC=C3)C(=O)C4=CSC=C4","XQRJZYLEWQIIAK-UHFFFAOYSA-N",404064,NA,"PDBC04582","720182","Present",NA,NA
+"4583","(3-Thioxo-5,1-c][1,2,4]thiadiazol-7-yl)-acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Thioxo-5,6-dihydro-imidazo[2,1-c][1,2,4]thiadiazol-7-...",NA,"C1CN2C(=NSC2=S)N1CC#N","XZBKCMAFXBTITL-UHFFFAOYSA-N",24204736,NA,"PDBC04583","732632","Present",NA,NA
+"4584","(3-benzyloxybenzylidene-hydrazynocarbonylmethylsulfanyl)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-benzyloxybenzylidene-hydrazynocarbonylmethylsulfanyl)...",NA,"C1=CC=C(C=C1)COC2=CC=CC(=C2)C=NNC(=O)CSCC(=O)NN=CC3=CC(=CC=C3)OCC4=CC=CC=C4","MACCMASBYGPPRL-ZXHXELASSA-N",9572692,NA,"PDBC04584","724344","Present",NA,NA
+"4585","(3-bromo-benzylidene-hydrazinocarbonylmethylsulfanyl)ace...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-bromo-benzylidene-hydrazinocarbonylmethylsulfanyl)ace...",NA,"C1=CC(=CC(=C1)Br)C=NNC(=O)CSCC(=O)NN=CC2=CC(=CC=C2)Br","SRBSSBJJZYHIJO-KGIZCEIGSA-N",9572671,NA,"PDBC04585","724067","Present",NA,NA
+"4586","(3-fluorophenyl)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-fluorophenyl)[?]",NA,"C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=CC(=CC=C5)F","XFCJWFQELKDFGS-UHFFFAOYSA-N",388798,NA,"PDBC04586","683885","Present",NA,NA
+"4587","(3-hydroxy-benzylidene-hydrazinocarbonylmethylsulfanyl)a...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-hydroxy-benzylidene-hydrazinocarbonylmethylsulfanyl)a...",NA,"C1=CC(=CC(=C1)O)C=NNC(=O)CSCC(=O)NN=CC2=CC(=CC=C2)O","VOYDNVDLCGYOHS-LQGKIZFRSA-N",9572687,NA,"PDBC04587","724296","Present",NA,NA
+"4588","(3-nitro-benzylidene-hydrazinocarbonylmethylsulfanyl)-ac...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-nitro-benzylidene-hydrazinocarbonylmethylsulfanyl)-ac...",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)CSCC(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-]","BWSGFTCCTCBPTE-QJUDHZBZSA-N",9572668,NA,"PDBC04588","724063","Present",NA,NA
+"4589","(3-trifluoromethyl-benzylidene-hydrazinocarbonylmethylsu...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-trifluoromethyl-benzylidene-hydrazinocarbonylmethylsu...",NA,"C1=CC(=CC(=C1)C(F)(F)F)C=NNC(=O)CSCC(=O)NN=CC2=CC(=CC=C2)C(F)(F)F","CPGPWOKEKXEKFI-YEBYOEETSA-N",9572690,NA,"PDBC04589","724342","Present",NA,NA
+"4590","(3-{[4-Chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}phenyl)-N-(4-chlorophenyl)ca rboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(4-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,5-d...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)Cl","CMXPMHNEKKOUPL-UHFFFAOYSA-N",1194863,NA,"PDBC04590","732847","Present",NA,NA
+"4591","(3Aalpha,6aalpha)-3alpha,6beta-Bis(1,3-benzodioxole-5-yl)tetrahydro-1H,3H-furo[3,4-c]furan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3s,3Ar,6r,6as)-3,6-bis(1,3-benzodioxol-5-yl)tetrahydro-1h,3h-furo[3,4-c]furan-1-one",NA,"C1C2C(C(O1)C3=CC4=C(C=C3)OCO4)C(=O)OC2C5=CC6=C(C=C5)OCO6","UIPQDOWYNRWNGN-RCUQFMMVSA-N",400548,NA,"PDBC04591","712669","Present",NA,NA
+"4592","(3Ar)-7-[3-[4-[3-[[(3aR)-8-methoxy-10-oxo-2,3,3a,10a-tetrahydro-1H-cyclopenta[c][1]benzazepin-7-yl]oxy]propyl]piperazin-1-yl]propoxy]-8-methoxy-2,3,3a,10a-tetrahydro-1H-cyclopenta[c][1]benzazepin-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-{[(bispropane-1,N-diyl)piperzine]dioxy}bis[(11aS)-7...",NA,"COC1=C(C=C2C(=C1)C(=O)C3CCCC3C=N2)OCCCN4CCN(CC4)CCCOC5=C(C=C6C(=C5)N=CC7CCCC7C6=O)OC","HZHKSNHWIUGOBJ-DZKOAGKBSA-N",24202913,NA,"PDBC04592","726262","Present",NA,NA
+"4593","(3Ar)-7-[5-[4-[5-[[(3aR)-8-methoxy-10-oxo-2,3,3a,10a-tetrahydro-1H-cyclopenta[c][1]benzazepin-7-yl]oxy]pentyl]piperazin-1-yl]pentoxy]-8-methoxy-2,3,3a,10a-tetrahydro-1H-cyclopenta[c][1]benzazepin-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-{[(bispentane-1,N-diyl)piperzine]dioxy}bis[(11aS)-7...",NA,"COC1=C(C=C2C(=C1)C(=O)C3CCCC3C=N2)OCCCCCN4CCN(CC4)CCCCCOC5=C(C=C6C(=C5)N=CC7CCCC7C6=O)OC","RLUOVWNYPXHLIA-HWOSFROGSA-N",24202914,NA,"PDBC04593","726263","Present",NA,NA
+"4594","(3Ar,4R,8aR)-8-tert-butylsulfanyl-4-diphenylphosphoryl-1,2,3,3a,4,5,6,8a-octahydroazulene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,4R,8aR)-8-tert-butylsulfanyl-4-diphenylphosphoryl-1,2,3,3a,4,5,6,8a-octahydroazulene",NA,"CC(C)(C)SC1=CCCC(C2C1CCC2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","JQFGIWCDGIXUGO-WXFUMESZSA-N",402433,NA,"PDBC04594","716398","Present",NA,NA
+"4595","(3Ar,4S,6aR)-3-bromo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,4s,6ar)-3-bromo-4,5,6,6a-tetrahydro-3ah-pyrrolo[3,4-d]isoxazole-4-carboxylic acid",NA,"C1C2C(C(N1)C(=O)O)C(=NO2)Br","QGKLHUXQHRHCIF-HZLVTQRSSA-N",394656,NA,"PDBC04595","698258","Present",NA,NA
+"4596","(3Ar,5R)-3a-methoxy-1,5,8-trimethyl-4,5,7,9-tetrahydroazuleno[6,5-b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,5R)-3a-methoxy-1,5,8-trimethyl-4,5,7,9-tetrahydroazuleno[6,5-b]furan-2-one",NA,"CC1CC2(C(=C(C(=O)O2)C)CC3=C(CC=C13)C)OC","IJEQRAOGPKEXEG-QLJPJBMISA-N",389713,NA,"PDBC04596","686293","Present",NA,NA
+"4597","(3Ar,5R,9bR)-5-propyl-3,3a,5,9b-tetrahydrofuro[3,2-c]isochromene-2,6,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,5R,9bR)-5-propyl-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene-2,6,9-trione",NA,"CCCC1C2=C(C3C(O1)CC(=O)O3)C(=O)C=CC2=O","JUFCKRZBJCRZJF-RULNRJAQSA-N",371285,NA,"PDBC04597","645362","Present",NA,NA
+"4598","(3Ar,5aR,8aR,8bS)-2,2-dimethyl-7-phenyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-e][1,3]benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,5aR,8aR,8bS)-2,2-dimethyl-7-phenyl-3a,5a,8a,8b-tetrahydro-[1,3]dioxolo[4,5-e][1,3]benzoxazole",NA,"CC1(OC2C=CC3C(C2O1)N=C(O3)C4=CC=CC=C4)C","HCRVDZJHWORUGH-AAVRWANBSA-N",398124,NA,"PDBC04598","707547","Present",NA,NA
+"4599","(3Ar,5aS,6S,9aR,10aS)-6-hydroxy-5a,6,10a-trimethyl-9-methylidene-3-propan-2-ylidene-1,3a,4,5,7,8,9a,10-octahydrobenzo[f]azulen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,5aS,6S,9aR,10aS)-6-hydroxy-5a,6,10a-trimethyl-9-methylidene-3-propan-2-ylidene-1,3a,4,5,7,8,9a,10-octahydrobenzo[f]azulen-2-one",NA,"CC(=C1C2CCC3(C(CC2(CC1=O)C)C(=C)CCC3(C)O)C)C","UNTHALTVCWHNFV-LPKWFMKBSA-N",390119,NA,"PDBC04599","687110","Present",NA,NA
+"4600","(3Ar,5aS,6S,9aR,10aS)-6-hydroxy-5a,6,9,10a-tetramethyl-3-propan-2-ylidene-3a,4,5,7,9a,10-hexahydro-1H-benzo[f]azulen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,5aS,6S,9aR,10aS)-6-hydroxy-5a,6,9,10a-tetramethyl-3-propan-2-ylidene-3a,4,5,7,9a,10-hexahydro-1H-benzo[f]azulen-2-one",NA,"CC1=CCC(C2(C1CC3(CC(=O)C(=C(C)C)C3CC2)C)C)(C)O","DKDSPYJCWVOPKW-LPKWFMKBSA-N",390120,NA,"PDBC04600","687111","Present",NA,NA
+"4601","(3Ar,6R)-spiro[3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole-6,2'-cycloheptane]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,6R)-spiro[3a,4-dihydro-3H-thieno[3,4-c][1,2]oxazole-6,2'-cycloheptane]-1'-one",NA,"C1CCC(=O)C2(CC1)C3=NOCC3CS2","IUOQHUFXELFPIG-KCJUWKMLSA-N",396909,NA,"PDBC04601","704088","Present",NA,NA
+"4602","(3Ar,6R,6aR)-3-bromo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,6r,6ar)-3-bromo-4,5,6,6a-tetrahydro-3ah-pyrrolo[4,3-d]isoxazole-6-carboxylic acid",NA,"C1C2C(C(N1)C(=O)O)ON=C2Br","QVEATFSVDQDOGW-BXXZVTAOSA-N",394654,NA,"PDBC04602","698256","Present",NA,NA
+"4603","(3Ar,6S,6aR)-3-bromo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,6s,6ar)-3-bromo-4,5,6,6a-tetrahydro-3ah-pyrrolo[4,3-d]isoxazole-6-carboxylic acid",NA,"C1C2C(C(N1)C(=O)O)ON=C2Br","QVEATFSVDQDOGW-FLRLBIABSA-N",394655,NA,"PDBC04603","698257","Present",NA,NA
+"4604","(3Ar,6aR)-3-(3-hydroxy-4,5-dimethoxyphenyl)-3,3a,4,6a-tetrahydro-1H-furo[3,4-c]furan-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,6ar)-1-(3-hydroxy-4,5-dimethoxy-phenyl)-3,3a,6,6a-tetrahydro-1h-furo[4,3-c]furan-4-one",NA,"COC1=CC(=CC(=C1OC)O)C2C3COC(=O)C3CO2","RKGWRCBRLCZGOO-VTGJNACWSA-N",390654,NA,"PDBC04604","688257","Present",NA,NA
+"4605","(3Ar,6aS)-4-methoxy-3-methyl-2-oxido-4,6a-dihydro-3aH-furo[3,4-d][1,2]oxazol-2-ium-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,6aS)-4-methoxy-3-methyl-3a,6a-dihydrofuro[3,4-d][1,2]oxazol-6(4H)-one 2-oxide",NA,"CC1=[N+](OC2C1C(OC2=O)OC)[O-]","SIMKCCATDYTBNL-GXFGBBIGSA-N",361929,NA,"PDBC04605","625410","Present",NA,NA
+"4606","(3Ar,7aR)-1,2,3-tribenzyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,6r)-7,8,9-Tribenzyl-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide",NA,"C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5","WUGPLZXSJMJTKU-KAYWLYCHSA-N",397405,NA,"PDBC04606","705146","Present",NA,NA
+"4607","(3Ar,7aR)-1,3-Dimethyl-2-ethyloctahydro-1H-1,3,2-benzodiazaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,6r)-8-Ethyl-7,9-dimethyl-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide",NA,"CCP1(=O)N(C2CCCCC2N1C)C","MFUIQZXBLJYEND-NXEZZACHSA-N",397403,NA,"PDBC04607","705144","Present",NA,NA
+"4608","(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-methyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,6r)-7,9-Bis(2,2-dimethylpropyl)-8-methyl-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide",NA,"CC(C)(C)CN1C2CCCCC2N(P1(=O)C)CC(C)(C)C","GZBIJJQBRYAUSP-HUUCEWRRSA-N",397406,NA,"PDBC04608","705147","Present",NA,NA
+"4609","(3Ar,7aR)-1,3-dibenzyl-2-methyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,6r)-7,9-Dibenzyl-8-methyl-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide",NA,"CP1(=O)N(C2CCCCC2N1CC3=CC=CC=C3)CC4=CC=CC=C4","UOESKDFATGRFHH-NHCUHLMSSA-N",397404,NA,"PDBC04609","705145","Present",NA,NA
+"4610","(3Ar,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-1,3,3a,4,5,6,7,7a-octahydroinden-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,7aR)-1-[tert-butyl(dimethyl)silyl]oxy-1,3,3a,4,5,6,7,7a-octahydroinden-2-one",NA,"CC(C)(C)[Si](C)(C)OC1C2CCCCC2CC1=O","KYPONAADTFFCCW-QAYQGLBKSA-N",359511,NA,"PDBC04610","620494","Present",NA,NA
+"4611","(3Ar,7aR)-2-benzyl-1,3-bis(2,2-dimethylpropyl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,6r)-8-Benzyl-7,9-bis(2,2-dimethylpropyl)-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonane 8-oxide",NA,"CC(C)(C)CN1C2CCCCC2N(P1(=O)CC3=CC=CC=C3)CC(C)(C)C","UIZFHDWMKUQTGA-NHCUHLMSSA-N",397407,NA,"PDBC04611","705148","Present",NA,NA
+"4612","(3Ar,7aS)-3a-prop-2-ynyl-1,3,4,6,7,7a-hexahydroindene-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,7aS)-3a-prop-2-ynyl-1,3,4,6,7,7a-hexahydroindene-2,5-dione",NA,"C#CCC12CC(=O)CCC1CC(=O)C2","FLJAODRONWXHKH-JOYOIKCWSA-N",359516,NA,"PDBC04612","620499","Present",NA,NA
+"4613","(3Ar,7aS)-3a-prop-2-ynylspiro[1,3,4,6,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Ar,7aS)-3a-prop-2-ynylspiro[1,3,4,6,7,7a-hexahydroindene-2,2'-1,3-dioxolane]-5-one",NA,"C#CCC12CC(=O)CCC1CC3(C2)OCCO3","GMMNRAJEOWIMCO-WCQYABFASA-N",359512,NA,"PDBC04613","620495","Present",NA,NA
+"4614","(3As)-2-methyl-1-quinolin-8-yloxy-3a,4,5,6-tetrahydro-3H-pyrrolo[1,2-c][1,3,2]diazaphosphole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-{[(3As)-2-methylhexahydro-1h-pyrrolo[1,2-c][1,3,2]diazaphosphol-1-yl]oxy}quinoline",NA,"CN1CC2CCCN2P1OC3=CC=CC4=C3N=CC=C4","JMKSQDQGWKTMQH-SZQRVLIRSA-N",402496,NA,"PDBC04614","716522","Present",NA,NA
+"4615","(3As)-2-methyl-3,4-diphenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As)-2-methyl-3,4-diphenyl-2,3,3a,4-tetrahydrochromeno[4,3-c]pyrazole",NA,"CN1C(C2C(OC3=CC=CC=C3C2=N1)C4=CC=CC=C4)C5=CC=CC=C5","MDSIRHKMGCCZOM-RDABAPPSSA-N",374679,NA,"PDBC04615","652813","Present",NA,NA
+"4616","(3As)-2-methyl-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As)-2-methyl-3-phenyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazole",NA,"CN1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=CC=C4","FXWIAQVCWJJHKP-PYUWXLGESA-N",374678,NA,"PDBC04616","652812","Present",NA,NA
+"4617","(3As)-5,7-dihydroxy-2-(hydroxymethyl)-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3aH-benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As)-5,7-dihydroxy-2-(hydroxymethyl)-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-3aH-benzimidazol-4-one",NA,"CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=C(C(=O)C5C(=C4O)N=C(N5C)CO)O","XWPCUDYPOVFJSB-HNNXBMFYSA-N",135426678,NA,"PDBC04617","706843","Present",NA,NA
+"4618","(3As,10aR)-1-imino-3a,5,10-trimethyl-2-phenyl-5,10a-dihydro-4H-pyrrolo[3,4-b][1]benzazepin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,10aR)-1-imino-3a,5,10-trimethyl-2-phenyl-5,10a-dihydro-4H-pyrrolo[3,4-b][1]benzazepin-3-one",NA,"CC1CC2(C(C(=N)N(C2=O)C3=CC=CC=C3)N(C4=CC=CC=C14)C)C","SIOFKKGTXABFIO-KNVJRODRSA-N",379686,NA,"PDBC04618","664561","Present",NA,NA
+"4619","(3As,4S,6R,6aR)-6-methoxy-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxylic acid",NA,"CC1(OC2C(O1)C(OC2C(=O)O)OC)C","BTFKDZSYIKUCGF-UHFFFAOYSA-N",390961,NA,"PDBC04619","689214","Present",NA,NA
+"4620","(3As,4S,7aS)-4-[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,4S,7aS)-4-[2-(3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione",NA,"CC12CCC(=O)C(C1CCC2=O)CCC3=CC(=O)C=CC3=O","VYZCIPDDACPAQS-DEYYWGMASA-N",394644,NA,"PDBC04620","698246","Present",NA,NA
+"4621","(3As,5E,9E,12aR)-1-Isopropylidene-3a,6,10-trimethyl-3,3a,4,7,8,11,12,12a-octahydrocyclopentacycloundecen-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,5E,9E,12aR)-3a,6,10-trimethyl-1-propan-2-ylidene-4,7,8,11,12,12a-hexahydro-3H-cyclopenta[11]annulen-2-one",NA,"CC1=CCCC(=CCC2(CC(=O)C(=C(C)C)C2CC1)C)C","YETBHHZORHIONL-FHENHQJDSA-N",5469365,NA,"PDBC04621","687107","Present",NA,NA
+"4622","(3As,5R,6aR)-5-amino-3-bromo-3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,5R,6aR)-5-amino-3-bromo-3a,4,6,6a-tetrahydrocyclopenta[d][1,2]oxazole-5-carboxylic acid",NA,"C1C2C(CC1(C(=O)O)N)ON=C2Br","QZQWZDJSCNFSTH-PJVAAEDRSA-N",6712632,NA,"PDBC04622","702654","Present",NA,NA
+"4623","(3As,5R,9E,14S,15R,15aR)-3,6-Dimethylene-10,14-dimethyl-5,15-dihydroxy-2,3,3a,4,5,6,7,8,11,12,13,14,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,5R,9E,14S,15R,15aR)-5,15-dihydroxy-10,14-dimethyl-3,6-dimethylidene-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-2-one",NA,"CC1CCCC(=CCCC(=C)C(CC2C(C1O)OC(=O)C2=C)O)C","SQZQILNEYFKUMI-YSIFGUBHSA-N",5469905,NA,"PDBC04623","694075","Present",NA,NA
+"4624","(3As,5R,9R,9bS)-5,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,5R,9R,9bS)-5,9-dihydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-2-one",NA,"CC1(CCC2C1C3C(CC(C2=C)O)C(=C)C(=O)O3)O","ZYFHDRQNUXIRID-BKDOGVOUSA-N",391021,NA,"PDBC04624","689441","Present",NA,NA
+"4625","(3As,5S,6R,9E,13E,15aS)-3-Methylene-5-iodo-6-hydroxy-6,10,14-trimethyl-2,3,3a,4,5,6,7,8,11,12,15,15a-dodecahydrocyclotetradeca[b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,5S,6R,9E,13E,15aS)-6-hydroxy-5-iodo-6,10,14-trimethyl-3-methylidene-4,5,7,8,11,12,15,15a-octahydro-3aH-cyclotetradeca[b]furan-2-one",NA,"CC1=CCCC(C(CC2C(CC(=CCC1)C)OC(=O)C2=C)I)(C)O","RCJSCMFZUGPPHB-ULYAPGBTSA-N",5470068,NA,"PDBC04625","697265","Present",NA,NA
+"4626","(3As,5S,6R,9S,10R,13E,15aS)-3-Methylene-5,9-diiodo-6,10,14-trimethyl-6,10-epoxy-2,3,3a,4,5,6,7,8,9,10,11,12,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,4S,8S,10E,14R,15S)-2,15-Diiodo-1,10,14-trimethyl-5-methylidene-7,18-dioxatricyclo[12.3.1.04,8]octadec-10-en-6-one",NA,"CC1=CCCC2(C(CCC(O2)(C(CC3C(C1)OC(=O)C3=C)I)C)I)C","ABJVPMGWAANYLW-IGWMKULSSA-N",54608971,NA,"PDBC04626","697268","Present",NA,NA
+"4627","(3As,5S,7S,7aR)-3-methylidene-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,5S,7S,7aR)-3-methylidene-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-2-one",NA,"CC(CCCC(=O)C)C1C2C(CC(O1)C3(CCC(=O)O3)C)C(=C)C(=O)O2","IFIXGSRTTNSXPE-HHDKMFBESA-N",405122,NA,"PDBC04627","722077","Present",NA,NA
+"4628","(3As,5S,7S,7aR)-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-3-(phenylsulfanylmethyl)-3,3a,4,5,7,7a-hexahydrofuro[2,3-c]pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,5S,7S,7aR)-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-3-(phenylsulfanylmethyl)-3,3a,4,5,7,7a-hexahydrofuro[2,3-c]pyran-2-one",NA,"CC(CCCC(=O)C)C1C2C(CC(O1)C3(CCC(=O)O3)C)C(C(=O)O2)CSC4=CC=CC=C4","BEWCMAIZKMJGCB-VJCINKSSSA-N",394129,NA,"PDBC04628","697266","Present",NA,NA
+"4629","(3As,5aR,6aS,10aS,10cS)-4-Methoxy-7,7,10a,10c-tetramethyl-2,3a,4,5a,6,6a,7,8,9,10,10a,10c-dodecahydro-3H-5-oxa-acephe nanthrylene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3aS,4S,5aR,6aS,10aS,10cS)-4-Methoxy-7,7,10a,10c-tetrame...",NA,"CC1(CCCC2(C1CC3C4(C2=CCCC4C(O3)OC)C)C)C","JHOAYGACEGHGEA-MVJQVOQTSA-N",24202903,NA,"PDBC04629","726198","Present",NA,NA
+"4630","(3As,6R,10S,13E,15aS)-3-Methylene-6,10,14-trimethyl-6,10-epoxy-2,3,3a,4,5,6,7,8,9,10,11,12,15,15a-tetradecahydrocyclotetradeca[b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,4S,8S,10E,14S)-1,10,14-Trimethyl-5-methylidene-7,18-dioxatricyclo[12.3.1.04,8]octadec-10-en-6-one",NA,"CC1=CCCC2(CCCC(O2)(CCC3C(C1)OC(=O)C3=C)C)C","HDXXAAGZHZREKV-NLSCDXCASA-N",54598865,NA,"PDBC04630","694076","Present",NA,NA
+"4631","(3As,6aS)-6a-[2-(1,3-benzodioxol-5-yl)ethynyl]-3-benzyl-3a,4,5,6-tetrahydro-2H-cyclopenta[d][1,3]oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,6as)-6a-[2-(1,3-benzodioxol-5-yl)ethynyl]-3-benzyl-3a,4,5,6-tetrahydro-2h-cyclopenta[d]oxazole",NA,"C1CC2C(C1)(OCN2CC3=CC=CC=C3)C#CC4=CC5=C(C=C4)OCO5","NEHDFNAFJKDMPO-VXKWHMMOSA-N",394626,NA,"PDBC04631","698202","Present",NA,NA
+"4632","(3As,7aR)-2-methyl-3a-phenyl-2,3,5,6,7,7a-hexahydro-1H-indol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,7aR)-2-methyl-3a-phenyl-2,3,5,6,7,7a-hexahydro-1H-indol-4-one",NA,"CC1CC2(C(N1)CCCC2=O)C3=CC=CC=C3","NKSXGTCOEJQFSR-ICSQTIAXSA-N",358981,NA,"PDBC04632","619177","Present",NA,NA
+"4633","(3As,7aalpha)-8,8-Dimethyl-1-[(R)-2-hydroxypropionyl]octahydro-3abeta,6beta-methano-2,1-benzisothiazole 2,2-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-1-[(1S,5R,7R)-10,10-Dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-2-hydroxypropan-1-one",NA,"CC(C(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O)O","LJYKZGYVUVEGPW-VWMGYNLJSA-N",401657,NA,"PDBC04633","715359","Present",NA,NA
+"4634","(3As,8aR)-1-benzhydryl-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one;(3aS)-1-benzhydryl-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,8aR)-1-benzhydryl-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one;(3aS)-1-benzhydryl-3a-phenyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]pyrrol-4-one",NA,"C1CCC(=O)C2(CCN(C2C1)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.C1CCC(=O)C2(CCN(C2C1)C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","UAIZSHDDHAMRAH-CBXSCUKQSA-N",357753,NA,"PDBC04634","617275","Present",NA,NA
+"4635","(3As,8aS)-1-methyl-3a,8a-dihydro-3H-azulen-4-one;carbon monoxide;iron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,8aS)-1-methyl-3a,8a-dihydro-3H-azulen-4-one;carbon monoxide;iron",NA,"CC1=CCC2C1C=CC=CC2=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe]","XGZNLQGKYKQMEN-OOFBUDRMSA-N",54608739,NA,"PDBC04635","649308","Present",NA,NA
+"4636","(3As,9R,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,9R,9bS)-9-hydroxy-9-methyl-3,6-dimethylidene-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2,5-dione",NA,"CC1(CCC2C1C3C(CC(=O)C2=C)C(=C)C(=O)O3)O","XIHCVBVVFAUGQX-GRNNFRHMSA-N",391022,NA,"PDBC04636","689442","Present",NA,NA
+"4637","(3As,9aS,9bR)-6-benzyl-9a-hydroxy-3-(2,4,6-trimethylphenyl)-3a,7,8,9b-tetrahydro-[1,2]oxazolo[4,5-h][1,4]benzoxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3As,9aS,9bR)-6-benzyl-9a-hydroxy-3-(2,4,6-trimethylphenyl)-3a,7,8,9b-tetrahydro-[1,2]oxazolo[4,5-h][1,4]benzoxazin-4-one",NA,"CC1=CC(=C(C(=C1)C)C2=NOC3C2C(=O)C=C4C3(OCCN4CC5=CC=CC=C5)O)C","TWBNIFWIJOWEBK-CAOCKLPOSA-N",362763,NA,"PDBC04637","627025","Present",NA,NA
+"4638","(3E)-1-Allyl-3-(1-allyl-5-oxo-pyrrolidin-2-ylidene)pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-1-Allyl-3-(1-allyl-5-oxo-pyrrolidin-2-ylidene)pyrrolidine-2,5-dione",NA,"C=CCN1C(=C2CC(=O)N(C2=O)CC=C)CCC1=O","RSJAINHWRRIEEV-ZHACJKMWSA-N",3004165,NA,"PDBC04638","634160","Present",NA,NA
+"4639","(3E)-1-Oxido-3-(1-oxido-2-phenylindol-1-ium-3-ylidene)-2-phenyl-4H-quinolin-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-1-Oxido-3-(1-oxido-2-phenylindol-1-ium-3-ylidene)-2-phenyl-4H-quinolin-1-ium",NA,"C1C2=CC=CC=C2[N+](=C(C1=C3C4=CC=CC=C4[N+](=C3C5=CC=CC=C5)[O-])C6=CC=CC=C6)[O-]","DSKISLCOSLWPSU-SOYKGTTHSA-N",135505158,NA,"PDBC04639","692409","Present",NA,NA
+"4640","(3E)-2,4-Ditert-butyl-3-tert-butylimino-1,2,4-oxadiazolidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Di-tert-butyl-3-(tert-butylimino)-1,2,4-oxadiazolidin-5-one",NA,"CC(C)(C)N=C1N(C(=O)ON1C(C)(C)C)C(C)(C)C","KXHVZOQSPDTKTM-UHFFFAOYSA-N",390096,NA,"PDBC04640","687039","Present",NA,NA
+"4641","(3E)-3-(1-Anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-(1-Anilinoethylidene)-5-[(4-fluorophenyl)methyl]pyrrolidine-2,4-dione",NA,"CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC=C(C=C3)F)O","FEBVEBQBTIYAKQ-UHFFFAOYSA-N",135468176,NA,"PDBC04641","239272","Present",NA,NA
+"4642","(3E)-3-(2-Naphthylimino)-2-[(3E)-3-(2-naphthylimino)-2-phenyl-inden-1-yl]-2-phenyl-indan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,2'-Bi-1H-indene]-1,1'-diimine, 2,3-dihydro-N,N'-bis(2...",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=NC4=CC5=CC=CC=C5C=C4)C6(C(=NC7=CC8=CC=CC=C8C=C7)C9=CC=CC=C9C6=O)C1=CC=CC=C1","QPTSGPSUJRZTRF-UHFFFAOYSA-N",389849,NA,"PDBC04642","686481","Present",NA,NA
+"4643","(3E)-3-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-1,1-diphenyl-2-benzothiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-1,1-diphenyl-2-benzothiophene",NA,"C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C4C5=CC=CC=C5C(S4)(C6=CC=CC=C6)C7=CC=CC=C7)S2)C8=CC=CC=C8","OKQQHWABDKMBKP-HEFFKOSUSA-N",3004520,NA,"PDBC04643","658176","Present",NA,NA
+"4644","(3E)-3-(5-Phenyldithiol-3-ylidene)chromene-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-(5-Phenyl-3H-1,2-dithiol-3-ylidene)-2H-chromene-2,4(3H)-dione",NA,"C1=CC=C(C=C1)C2=CC(=C3C(=O)C4=CC=CC=C4OC3=O)SS2","QEGUSOMWJVEWSI-FOCLMDBBSA-N",5359006,NA,"PDBC04644","293927","Present",NA,NA
+"4645","(3E)-3-(Phenylhydrazinylidene)-1,2-dihydroindene-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-(Phenylhydrazinylidene)-1,2-dihydroindene-4-carboxylic acid",NA,"C1CC(=NNC2=CC=CC=C2)C3=C1C=CC=C3C(=O)O","TYTVKQWPOAZVCQ-NBVRZTHBSA-N",9572359,NA,"PDBC04645","713199","Present",NA,NA
+"4646","(3E)-3-Benzylidene-1-methylpiperidin-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623643",NA,"CN1CCC(=O)C(=CC2=CC=CC=C2)C1.Cl","YOMTVRBFXYLRAU-NBYYMMLRSA-N",5387439,NA,"PDBC04646","623643","Present",NA,NA
+"4647","(3E)-3-Benzylidenepiperidin-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642598",NA,"C1CNCC(=CC2=CC=CC=C2)C1=O.Cl","RWQBPKWXYNMOBP-YGCVIUNWSA-N",5466752,NA,"PDBC04647","642598","Present",NA,NA
+"4648","(3E)-3-Ethylideneazetidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LCXPHUZMYBUAOG-DUXPYHPUSA-",NA,"CC=C1CNC1C(=O)O","LCXPHUZMYBUAOG-DUXPYHPUSA-N",5468309,NA,"PDBC04648","668362","Present",NA,NA
+"4649","(3E)-3-Hydrazinylidene-4-oxo-2,5-diphenylhexanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634639",NA,"C1=CC=C(C=C1)C(C#N)C(=NN)C(=O)C(C#N)C2=CC=CC=C2","WPAFLQXYBZWZOR-OQKWZONESA-N",5869688,NA,"PDBC04649","634639","Present",NA,NA
+"4650","(3E)-3-Methyl-4-[(4-nitrophenyl)amino]-N-[(4-nitrophenyl)amino]-4-azabut-3-ena mide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-N'-(4-Nitrophenyl)-3-[(4-nitrophenyl)hydrazinylidene]butanehydrazide",NA,"CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])CC(=O)NNC2=CC=C(C=C2)[N+](=O)[O-]","KHKMDZKMUZEDKN-GZTJUZNOSA-N",6180765,NA,"PDBC04650","158088","Present",NA,NA
+"4651","(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)C=C4C5=CC=CC=C5NC4=O","CEKFWNXLKQEULR-FYJGNVAPSA-N",5473072,NA,"PDBC04651","723561","Present",NA,NA
+"4652","(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-4-chloro-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-4-chloro-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)C=C4C5=C(C=CC=C5Cl)NC4=O","WAOSQEDNPDCNCJ-XDHOZWIPSA-N",5473076,NA,"PDBC04652","723565","Present",NA,NA
+"4653","(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-chloro-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-chloro-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)C=C4C5=C(C=CC(=C5)Cl)NC4=O","IZGYDLPNAWUCBU-CIAFOILYSA-N",5473077,NA,"PDBC04653","723566","Present",NA,NA
+"4654","(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)C=C4C5=C(C=CC(=C5)F)NC4=O","GGHWWBPESSSSBK-CIAFOILYSA-N",16737377,NA,"PDBC04654","734197","Present",NA,NA
+"4655","(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(1-Benzyl-2-chloro-5-methoxy-6-methylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3)Cl)C=C4C5=C(C=CC(=C5)O)NC4=O","LPUJTOYQSOYHKI-CIAFOILYSA-N",5473075,NA,"PDBC04655","723564","Present",NA,NA
+"4656","(3E)-3-[(1-Hydroxy-4-iminopyridin-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(1-Hydroxy-4-iminopyridin-3-yl)methylidene]-1H-indol-2-one",NA,"C1=CC=C2C(=C1)C(=CC3=CN(C=CC3=N)O)C(=O)N2","RCSHUSJHLMZWQF-MQTYBZADSA-N",24206020,NA,"PDBC04656","737704","Present",NA,NA
+"4657","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C)C=C3C4=CC=CC=C4N(C3=O)C","MTEYENIQDHFBTE-MDWZMJQESA-N",24205817,NA,"PDBC04657","736793","Present",NA,NA
+"4658","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C)C=C3C4=CC=CC=C4NC3=O","RBDUSHBTNRHWGW-KPKJPENVSA-N",5471419,NA,"PDBC04658","711074","Present",NA,NA
+"4659","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-fluoro-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-fluoro-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)F)NC3=O","NMPQDJPTPTXMEU-WUXMJOGZSA-N",24206017,NA,"PDBC04659","737697","Present",NA,NA
+"4660","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)O)NC3=O","CEQJVCWHFSILSW-WUXMJOGZSA-N",5473341,NA,"PDBC04660","725100","Present",NA,NA
+"4661","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1-methylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1-methylindol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)OC)N(C3=O)C","QTAGQBQWZDQICF-RIYZIHGNSA-N",5473340,NA,"PDBC04661","725099","Present",NA,NA
+"4662","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)OC)NC3=O","XUFZEPMSQVCWNC-NTUHNPAUSA-N",5471422,NA,"PDBC04662","711077","Present",NA,NA
+"4663","(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=C(N=C4N3C=C(S4)C)C)C(=O)N2","GIBORWPONIETQM-AWNIVKPZSA-N",5473343,NA,"PDBC04663","725102","Present",NA,NA
+"4664","(3E)-3-[(2-Chloro-1-methylindol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-1-methylindol-3-yl)methylidene]-1H-indol-2-one",NA,"CN1C2=CC=CC=C2C(=C1Cl)C=C3C4=CC=CC=C4NC3=O","RUQJXNALMGSKGI-GXDHUFHOSA-N",24203155,NA,"PDBC04664","726904","Present",NA,NA
+"4665","(3E)-3-[(2-Chloro-1-methylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-1-methylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=C(N(C4=CC=CC=C43)C)Cl)C(=O)N2","YQMSWYTVZQBFDJ-OQLLNIDSSA-N",5471468,NA,"PDBC04665","711608","Present",NA,NA
+"4666","(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-1H-indol-2-one",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2Cl)C=C4C5=CC=CC=C5NC4=O","DAOGBRCUNWMZGG-XMHGGMMESA-N",5471469,NA,"PDBC04666","711609","Present",NA,NA
+"4667","(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(N(C4=CC=CC=C43)C5=CC=CC=C5)Cl","WPJLEHXKBRHDPX-XSFVSMFZSA-N",5471470,NA,"PDBC04667","711610","Present",NA,NA
+"4668","(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-1-phenylindol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=C(N(C4=CC=CC=C43)C5=CC=CC=C5)Cl)C(=O)N2","OHJQCJWNJKPXDO-DEDYPNTBSA-N",5471471,NA,"PDBC04668","711611","Present",NA,NA
+"4669","(3E)-3-[(2-Chloro-1H-indol-3-yl)methylidene]-1-phenylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-1H-indol-3-yl)methylidene]-1-phenylindol-2-one",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C(=CC4=C(NC5=CC=CC=C54)Cl)C2=O","RIAMCSQHTJHKHR-XMHGGMMESA-N",5471474,NA,"PDBC04669","711614","Present",NA,NA
+"4670","(3E)-3-[(2-Chloro-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(NC4=CC=CC=C43)Cl","JKEOUWKPNVUSGY-NTEUORMPSA-N",5472559,NA,"PDBC04670","720149","Present",NA,NA
+"4671","(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-benzo[g]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-benzo[g]indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C5=CC=CC=C5C=C4)NC3=O","RBOWYQFQCLFMNA-YBFXNURJSA-N",16738510,NA,"PDBC04671","734206","Present",NA,NA
+"4672","(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=CC=CC=C4NC3=O","NXLTYOPTPSNPPB-OQLLNIDSSA-N",16735297,NA,"PDBC04672","734199","Present",NA,NA
+"4673","(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-fluoro-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C=CC(=C4)F)NC3=O","NZOFFEYNWIPCFH-OVCLIPMQSA-N",16735566,NA,"PDBC04673","734198","Present",NA,NA
+"4674","(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C=CC(=C4)O)NC3=O","TXLOFCLJMMXZRD-OVCLIPMQSA-N",16738490,NA,"PDBC04674","734740","Present",NA,NA
+"4675","(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one",NA,"CC1=CC2=C(C=C1O)C(=CC3=C(N(C4=C3C=C(C(=C4)C)OC)C)Cl)C(=O)N2","IJLJGESJNSOCON-VIZOYTHASA-N",16738491,NA,"PDBC04675","734207","Present",NA,NA
+"4676","(3E)-3-[(2-Chloro-5-methoxy-1H-indol-3-yl)methylidene]-1-phenylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-1H-indol-3-yl)methylidene]-1-phenylindol-2-one",NA,"COC1=CC2=C(C=C1)NC(=C2C=C3C4=CC=CC=C4N(C3=O)C5=CC=CC=C5)Cl","AZMNBIRHCBFPMU-XSFVSMFZSA-N",5471475,NA,"PDBC04676","711615","Present",NA,NA
+"4677","(3E)-3-[(2-Chloro-5-methoxy-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=C2C=C3C4=C(C=CC(=C4)OC)NC3=O)Cl","CXCRHKKZYFIBFO-OQLLNIDSSA-N",10784359,NA,"PDBC04677","726893","Present",NA,NA
+"4678","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-ethylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-ethylindol-2-one",NA,"CCN1C2=CC=CC=C2C(=CC3=C(NC4=C3C=C(C(=C4)C)OC)Cl)C1=O","NKMFMGLPYLRSGB-MHWRWJLKSA-N",24205083,NA,"PDBC04678","734208","Present",NA,NA
+"4679","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=CC=CC=C4N(C3=O)C","VEPNCWKOLANJBP-OQLLNIDSSA-N",5471479,NA,"PDBC04679","711619","Present",NA,NA
+"4680","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-phenylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-phenylindol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=CC=CC=C4N(C3=O)C5=CC=CC=C5","KSEYYHWPPBJGQK-DEDYPNTBSA-N",5471480,NA,"PDBC04680","711620","Present",NA,NA
+"4681","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-benzo[g]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-benzo[g]indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C5=CC=CC=C5C=C4)NC3=O","JAXPZTZIYSVXOJ-VCHYOVAHSA-N",16738509,NA,"PDBC04681","730291","Present",NA,NA
+"4682","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=CC=CC=C4NC3=O","HLQZLTFBZSHQAM-RIYZIHGNSA-N",5471476,NA,"PDBC04682","711616","Present",NA,NA
+"4683","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-fluoro-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-fluoro-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC(=C4)F)NC3=O","RHVYKQQCYVAQEM-VGOFMYFVSA-N",16735296,NA,"PDBC04683","734185","Present",NA,NA
+"4684","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1-methylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1-methylindol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC(=C4)O)N(C3=O)C","GDHDTCVRELNOPC-OVCLIPMQSA-N",5473064,NA,"PDBC04684","723554","Present",NA,NA
+"4685","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC(=C4)O)NC3=O","UIWDYTKMXZAVAX-VGOFMYFVSA-N",5473070,NA,"PDBC04685","723559","Present",NA,NA
+"4686","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-hydroxy-6-methyl-1H-indol-2-one",NA,"CC1=CC2=C(C=C1O)C(=CC3=C(NC4=C3C=C(C(=C4)C)OC)Cl)C(=O)N2","JLYILVOUFBTGIX-MKMNVTDBSA-N",5473071,NA,"PDBC04686","723560","Present",NA,NA
+"4687","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC(=C4)OC)NC3=O","JARQRNKMCPAXLT-OVCLIPMQSA-N",5471477,NA,"PDBC04687","711617","Present",NA,NA
+"4688","(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-5-methoxy-6-methyl-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=C(NC4=C3C=C(C(=C4)C)OC)Cl)C(=O)N2","QSXUXHMUBGNSAC-VIZOYTHASA-N",5471478,NA,"PDBC04688","711618","Present",NA,NA
+"4689","(3E)-3-[(2-Methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(2-Methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C3=CC=CC=C3)C=C4C5=CC=CC=C5NC4=O","TWDDLWLECWRWMF-LFIBNONCSA-N",5471420,NA,"PDBC04689","711075","Present",NA,NA
+"4690","(3E)-3-[(2-Phenylimidazo[1,2-a]pyridin-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-((2-phenylimidazo[1,2-a]pyridin-3-yl)methylene)ind...",NA,"C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C=C4C5=CC=CC=C5NC4=O","RRTSKFSSNXSRIR-SAPNQHFASA-N",72724457,NA,"PDBC04690","761116","Present",NA,NA
+"4691","(3E)-3-[(3,4-Dihydroxyphenyl)methylidene]-6-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(3,4-Dihydroxyphenyl)methylidene]-6-phenylchromen-4-one",NA,"C1C(=CC2=CC(=C(C=C2)O)O)C(=O)C3=C(O1)C=CC(=C3)C4=CC=CC=C4","ASDKBBJVMJRBTF-LICLKQGHSA-N",45029091,NA,"PDBC04691","745449","Present",NA,NA
+"4692","(3E)-3-[(3-Hydroxy-4-methoxyphenyl)methylidene]-6-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(3-Hydroxy-4-methoxyphenyl)methylidene]-6-phenylchromen-4-one",NA,"COC1=C(C=C(C=C1)C=C2COC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4)O","DSONWLRQZRHITK-WOJGMQOQSA-N",45028952,NA,"PDBC04692","745002","Present",NA,NA
+"4693","(3E)-3-[(3-Methoxyphenyl)methylidene]-6-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(3-Methoxyphenyl)methylidene]-6-phenylchromen-4-one",NA,"COC1=CC=CC(=C1)C=C2COC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4","SXMJWISNXZLPLB-XDHOZWIPSA-N",45028951,NA,"PDBC04693","745001","Present",NA,NA
+"4694","(3E)-3-[(3-Phenacyloxyphenyl)methylidene]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(3-Phenacyloxyphenyl)methylidene]chromen-4-one",NA,"C1C(=CC2=CC(=CC=C2)OCC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4O1","YEQLMEGOIOLLAD-CPNJWEJPSA-N",45028754,NA,"PDBC04694","744059","Present",NA,NA
+"4695","(3E)-3-[(4-Aminopyridin-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(4-Aminopyridin-3-yl)methylidene]-1H-indol-2-one",NA,"C1=CC=C2C(=C1)C(=CC3=C(C=CN=C3)N)C(=O)N2","JJUDRSCKEUFZRX-YRNVUSSQSA-N",10243230,NA,"PDBC04695","737705","Present",NA,NA
+"4696","(3E)-3-[(4-Chlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(4-Chlorophenyl)methylidene]-2-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)cyclopentene-1-carboxamide",NA,"COC1=CC(=CC(=C1OC)OC)NC(=O)C2=C(C(=CC3=CC=C(C=C3)Cl)CC2)N4CCOCC4","ZQUHGTRKRAMSPD-NBVRZTHBSA-N",2337642,NA,"PDBC04696","744092","Present",NA,NA
+"4697","(3E)-3-[(4-Hydroxyphenyl)methylidene]-6-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(4-Hydroxyphenyl)methylidene]-6-phenylchromen-4-one",NA,"C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(O1)C=CC(=C3)C4=CC=CC=C4","GCNFPNHAWYJBGT-LDADJPATSA-N",45028950,NA,"PDBC04697","744999","Present",NA,NA
+"4698","(3E)-3-[(5-Bromo-1H-indol-3-yl)methylidene]-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-((5-bromo-1H-indol-3-yl)methylene)indolin-2-one",NA,"C1=CC=C2C(=C1)C(=CC3=CNC4=C3C=C(C=C4)Br)C(=O)N2","WYWURHNIPAJGSG-VGOFMYFVSA-N",2356797,NA,"PDBC04698","763701","Present",NA,NA
+"4699","(3E)-3-[(5-Methoxy-2-phenyl-phenyl)hydrazono]piperidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(5-Methoxy-2-phenyl-phenyl)hydrazono]piperidin-2-one",NA,"COC1=CC(=C(C=C1)C2=CC=CC=C2)NN=C3CCCNC3=O","SCELXIZLFUUWNK-CAPFRKAQSA-N",5930141,NA,"PDBC04699","628009","Present",NA,NA
+"4700","(3E)-3-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"C1CSC2=NC(=C(N21)C=C3C4=CC=CC=C4NC3=O)Cl","DROHEAVJULOCPY-VQHVLOKHSA-N",5471406,NA,"PDBC04700","711061","Present",NA,NA
+"4701","(3E)-3-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(N=C4N3CCS4)Cl","OCLBXBKISVEMEB-JXMROGBWSA-N",5471409,NA,"PDBC04701","711064","Present",NA,NA
+"4702","(3E)-3-[(6-Chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(6-Chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)Cl)C=C3C4=C(C=CC(=C4)OC)NC3=O","NWKUSGLWXLQPKG-IZZDOVSWSA-N",5471421,NA,"PDBC04702","711076","Present",NA,NA
+"4703","(3E)-3-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"C1=CC=C2C(=C1)C(=CC3=C(N=C4N3C=CS4)Cl)C(=O)N2","JLTIPTKNMTUOBO-VQHVLOKHSA-N",10542358,NA,"PDBC04703","726899","Present",NA,NA
+"4704","(3E)-3-[(6-Methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(6-Methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=C(N2CCSC2=N1)C=C3C4=CC=CC=C4NC3=O","RUVXASPVCVHMNH-DHZHZOJOSA-N",5471407,NA,"PDBC04704","711062","Present",NA,NA
+"4705","(3E)-3-[(6-Methylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(6-Methylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one",NA,"CC1=C(N2C=CSC2=N1)C=C3C4=CC=CC=C4NC3=O","OKOBUJBJGIGFLK-DHZHZOJOSA-N",10755270,NA,"PDBC04705","726902","Present",NA,NA
+"4706","(3E)-3-[(6-Methylpyridin-2-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(6-Methylpyridin-2-yl)methylidene]-1H-indol-2-one",NA,"CC1=NC(=CC=C1)C=C2C3=CC=CC=C3NC2=O","LFWFCMAIFMJWAX-UKTHLTGXSA-N",5473200,NA,"PDBC04706","724431","Present",NA,NA
+"4707","(3E)-3-[(6-Phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(6-Phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"C1CSC2=NC(=C(N21)C=C3C4=CC=CC=C4NC3=O)C5=CC=CC=C5","CZRPIVSYORGKSF-NTCAYCPXSA-N",5471408,NA,"PDBC04707","711063","Present",NA,NA
+"4708","(3E)-3-[(6-Phenylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[(6-Phenylimidazo[2,1-b]thiazol-5-yl)methylene]-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=C4C5=CC=CC=C5NC4=O","AKDLJYXQWHRAPB-NTCAYCPXSA-N",10450131,NA,"PDBC04708","726900","Present",NA,NA
+"4709","(3E)-3-[1-[6-[(1E)-1-(2-Oxo-1H-indol-3-ylidene)ethyl]pyridin-2-yl]ethylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[1-[6-[(1E)-1-(2-Oxo-1H-indol-3-ylidene)ethyl]pyridin-2-yl]ethylidene]-1H-indol-2-one",NA,"CC(=C1C2=CC=CC=C2NC1=O)C3=NC(=CC=C3)C(=C4C5=CC=CC=C5NC4=O)C","HBRBXOLSBCEMGO-HOFJZWJUSA-N",5473213,NA,"PDBC04709","724447","Present",NA,NA
+"4710","(3E)-3-[2-[(1R)-2,2-Dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[2-[(1R)-2,2-Dimethyl-6-methylidenecyclohexyl]ethylidene]oxolan-2-one",NA,"CC1(CCCC(=C)C1CC=C2CCOC2=O)C","NXLLBYJRCKRKNN-UWUHSAQLSA-N",5468844,NA,"PDBC04710","677577","Present",NA,NA
+"4711","(3E)-3-[2-[6a,10b-Dimethyl-8-methylidene-3-(4-methylsulfanylphenyl)-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-4-hydroxyoxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[2-[6a,10b-Dimethyl-8-methylidene-3-(4-methylsulfanylphenyl)-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-4-hydroxyoxolan-2-one",NA,"CC12CCC3C(C1CCC(=C)C2CC=C4C(COC4=O)O)(COC(O3)C5=CC=C(C=C5)SC)C","QLMUCSZAVLLXPB-KEBDBYFISA-N",54613250,NA,"PDBC04711","750037","Present",NA,NA
+"4712","(3E)-3-[9-Anthryl(chloro)methylene]isobenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[9-Anthryl(chloro)methylene]isobenzofuran-1-one",NA,"C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=C4C5=CC=CC=C5C(=O)O4)Cl","ATVGZQGJWVXZJF-QURGRASLSA-N",3004941,NA,"PDBC04712","664741","Present",NA,NA
+"4713","(3E)-3-[Bromo-(3,4-dichlorophenyl)methylene]isobenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[Bromo-(3,4-dichlorophenyl)methylene]isobenzofuran-1-one",NA,"C1=CC=C2C(=C1)C(=C(C3=CC(=C(C=C3)Cl)Cl)Br)OC2=O","ZQFZNUGBXGOFGL-BUHFOSPRSA-N",3004922,NA,"PDBC04713","663313","Present",NA,NA
+"4714","(3E)-3-[Bromo-(4-methoxyphenyl)methylene]isobenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[Bromo-(4-methoxyphenyl)methylene]isobenzofuran-1-one",NA,"COC1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=O)O2)Br","RNRMFMQECBCXRM-CCEZHUSRSA-N",3004921,NA,"PDBC04714","663311","Present",NA,NA
+"4715","(3E)-3-[Chloro(1-naphthyl)methylene]isobenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[Chloro(1-naphthyl)methylene]isobenzofuran-1-one",NA,"C1=CC=C2C(=C1)C=CC=C2C(=C3C4=CC=CC=C4C(=O)O3)Cl","AOLCWLQXYXCEHR-ISLYRVAYSA-N",3004512,NA,"PDBC04715","657735","Present",NA,NA
+"4716","(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)Cl)Cl)C=C4C5=CC=CC=C5NC4=O","UUFFPJHNKGPYKR-CIAFOILYSA-N",5473079,NA,"PDBC04716","723568","Present",NA,NA
+"4717","(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)Cl)Cl)C=C4C5=C(C=CC(=C5)O)NC4=O","CQEXJLAJJKJLRE-SRZZPIQSSA-N",16738494,NA,"PDBC04717","734202","Present",NA,NA
+"4718","(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-5-hydroxy-6-methyl-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[2-Chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-5-hydroxy-6-methyl-1H-indol-2-one",NA,"CC1=CC2=C(C=C1O)C(=CC3=C(N(C4=C3C=C(C(=C4)C)OC)CC5=CC=C(C=C5)Cl)Cl)C(=O)N2","MDYKDNOHPAKXIN-UFFVCSGVSA-N",16738495,NA,"PDBC04718","734203","Present",NA,NA
+"4719","(3E)-3-[[2-Chloro-5-methoxy-1-[(4-methoxyphenyl)methyl]-6-methylindol-3-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[2-Chloro-5-methoxy-1-[(4-methoxyphenyl)methyl]-6-methylindol-3-yl]methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)OC)Cl)C=C4C5=CC=CC=C5NC4=O","PBYUTVKJIHUECR-LPYMAVHISA-N",5473081,NA,"PDBC04719","723570","Present",NA,NA
+"4720","(3E)-3-[[2-Chloro-5-methoxy-6-methyl-1-[(2-nitrophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[2-Chloro-5-methoxy-6-methyl-1-[(2-nitrophenyl)methyl]indol-3-yl]methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=CC=C3[N+](=O)[O-])Cl)C=C4C5=CC=CC=C5NC4=O","YVQBHLKQOPELMJ-UDWIEESQSA-N",5473080,NA,"PDBC04720","723569","Present",NA,NA
+"4721","(3E)-3-[[2-Chloro-5-methoxy-6-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]indol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[2-Chloro-5-methoxy-6-methyl-1-[(3,4,5-trimethoxyphenyl)methyl]indol-3-yl]methylidene]-5-hydroxy-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC(=C(C(=C3)OC)OC)OC)Cl)C=C4C5=C(C=CC(=C5)O)NC4=O","YLFKEARFNZKJSN-CIAFOILYSA-N",45028221,NA,"PDBC04721","741774","Present",NA,NA
+"4722","(3E)-3-[[3-(4-Methoxyphenoxy)phenyl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[3-(4-Methoxyphenoxy)phenyl]methylidene]-1H-indol-2-one",NA,"COC1=CC=C(C=C1)OC2=CC=CC(=C2)C=C3C4=CC=CC=C4NC3=O","SMVBZIJGFMSINQ-XSFVSMFZSA-N",5473180,NA,"PDBC04722","724350","Present",NA,NA
+"4723","(3E)-3-[[6-(2,5-Dimethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[6-(2,5-Dimethoxyphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,"COC1=CC(=C(C=C1)OC)C2=C(N3CCSC3=N2)C=C4C5=CC=CC=C5NC4=O","KLSFQANGDMDDCW-NTCAYCPXSA-N",5471186,NA,"PDBC04723","709320","Present",NA,NA
+"4724","(3E)-3-[[6-(2,5-Dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1-methylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[6-(2,5-Dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1-methylindol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3)OC)OC)C=C4C5=C(C=CC(=C5)OC)N(C4=O)C","KRKGARCBNUBNMN-LDADJPATSA-N",24205813,NA,"PDBC04724","736790","Present",NA,NA
+"4725","(3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl]methylene]-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl]methylene]-1,3-dihydro-2H-indol-2-one",NA,"COC1=CC(=C(C=C1)OC)C2=C(N3C=CSC3=N2)C=C4C5=CC=CC=C5NC4=O","PGJDVPMBHANYQF-NTCAYCPXSA-N",10024110,NA,"PDBC04725","726896","Present",NA,NA
+"4726","(3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl]methylene]-5-methoxy-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[6-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-methoxy-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(N=C4N3C=CS4)C5=C(C=CC(=C5)OC)OC","GBJXMKYXAPJYSX-FOWTUZBSSA-N",10812683,NA,"PDBC04726","726897","Present",NA,NA
+"4727","(3E)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one",NA,"CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C=C4C5=CC=CC=C5NC4=O","YLLMBFRLPCWIHH-XNTDXEJSSA-N",24204572,NA,"PDBC04727","732191","Present",NA,NA
+"4728","(3E)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C=C4C5=CC=CC=C5NC4=O","LMDQYKKGNZYMBB-MHWRWJLKSA-N",24204573,NA,"PDBC04728","732192","Present",NA,NA
+"4729","(3E)-3-[[6-(4-Methylphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-((6-p-tolyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-...",NA,"CC1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)C4=CC(=C(C(=C4)OC)OC)OC)C=C5C6=CC=CC=C6NC5=O","UODDARANFVGVNL-HMMYKYKNSA-N",155808415,NA,"PDBC04729","775003","Present",NA,NA
+"4730","(3E)-3-[[6-(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[6-(6-Methylimidazo[2,1-b][1,3]thiazol-5-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,"CC1=C(N2C=CSC2=N1)C3=C(N4C=CSC4=N3)C=C5C6=CC=CC=C6NC5=O","GQUFJESWAIQYQS-JLHYYAGUSA-N",45028236,NA,"PDBC04730","741799","Present",NA,NA
+"4731","(3E)-3-[[6-[(E)-(2-Oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-[[6-[(E)-(2-Oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one",NA,"C1=CC=C2C(=C1)C(=CC3=NC(=CC=C3)C=C4C5=CC=CC=C5NC4=O)C(=O)N2","PMZOKGKZIAJGIK-KLCVKJMQSA-N",5473214,NA,"PDBC04731","724448","Present",NA,NA
+"4732","(3E)-4-Chloro-3-(pyridin-3-ylmethylidene)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Chloro-3-(pyridin-3-ylmethylidene)-1H-indol-2-one",NA,"C1=CC2=C(C(=C1)Cl)C(=CC3=CN=CC=C3)C(=O)N2","LPKZBXNKZNSIQO-JXMROGBWSA-N",5473204,NA,"PDBC04732","724435","Present",NA,NA
+"4733","(3E)-4-Chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C=CC=C4Cl)NC3=O","IPOVLKUAZROXPJ-MDWZMJQESA-N",16735298,NA,"PDBC04733","732187","Present",NA,NA
+"4734","(3E)-4-Chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC=C4Cl)NC3=O","SYGPBMZOSVBCHF-KPKJPENVSA-N",5473069,NA,"PDBC04734","723558","Present",NA,NA
+"4735","(3E)-4-Chloro-3-[(6-chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Chloro-3-[(6-chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"C1CSC2=NC(=C(N21)C=C3C4=C(C=CC=C4Cl)NC3=O)Cl","ZTQUFGCEMBJDPA-VOTSOKGWSA-N",5471412,NA,"PDBC04735","711067","Present",NA,NA
+"4736","(3E)-4-Chloro-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Chloro-3-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)Cl)C=C3C4=C(C=CC=C4Cl)NC3=O","OXZHKIHTFOQMLM-VMPITWQZSA-N",5471424,NA,"PDBC04736","711079","Present",NA,NA
+"4737","(3E)-4-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"C1=CC2=C(C(=C1)Cl)C(=CC3=C(N=C4N3C=CS4)Cl)C(=O)N2","KJMZTMKFPOBCDK-VOTSOKGWSA-N",5471415,NA,"PDBC04737","711070","Present",NA,NA
+"4738","(3E)-4-Chloro-3-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Chloro-3-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=C(N2CCSC2=N1)C=C3C4=C(C=CC=C4Cl)NC3=O","OASIFGPUHPYMIA-VQHVLOKHSA-N",5471413,NA,"PDBC04738","711068","Present",NA,NA
+"4739","(3E)-4-Chloro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Chloro-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=C(N2C=CSC2=N1)C=C3C4=C(C=CC=C4Cl)NC3=O","XKYLJWUVRFQIJW-VQHVLOKHSA-N",5471416,NA,"PDBC04739","711071","Present",NA,NA
+"4740","(3E)-4-Chloro-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Chloro-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"C1CSC2=NC(=C(N21)C=C3C4=C(C=CC=C4Cl)NC3=O)C5=CC=CC=C5","OJNMTRMWQYMLCT-ACCUITESSA-N",5471414,NA,"PDBC04740","711069","Present",NA,NA
+"4741","(3E)-4-Chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)Cl)Cl)C=C4C5=C(C=CC=C5Cl)NC4=O","BIDFFADORGNONY-YBFXNURJSA-N",16738492,NA,"PDBC04741","734200","Present",NA,NA
+"4742","(3E)-4-Methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-4-Methyl-3-(3-methylbut-2-enylidene)thiophene 1,1-dioxide",NA,"CC1=CS(=O)(=O)CC1=CC=C(C)C","JIIDWIDUTXVHBY-YHYXMXQVSA-N",5469713,NA,"PDBC04742","691808","Present",NA,NA
+"4743","(3E)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)Cl)NC3=O","IHLARSOVCHZAGF-WUXMJOGZSA-N",5473339,NA,"PDBC04743","725098","Present",NA,NA
+"4744","(3E)-5-Chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Chloro-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C=CC(=C4)Cl)NC3=O","KAFBXKAMPATOPF-OVCLIPMQSA-N",16735299,NA,"PDBC04744","734205","Present",NA,NA
+"4745","(3E)-5-Chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Chloro-3-[(2-chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=C3C4=C(C=CC(=C4)Cl)NC3=O","IHDRBUNCSBKAIX-VGOFMYFVSA-N",5473068,NA,"PDBC04745","723557","Present",NA,NA
+"4746","(3E)-5-Chloro-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-chloro-3-((2-methyl-6-phenylimidazo[2,1-b][1,3,4]t...",NA,"CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)C=C4C5=C(C=CC(=C5)Cl)NC4=O","YCAUCMRZOWDLGR-XNTDXEJSSA-N",155814528,NA,"PDBC04746","765820","Present",NA,NA
+"4747","(3E)-5-Chloro-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-chloro-3-((5-methoxy-1H-indol-3-yl)methylene)indol...",NA,"COC1=CC2=C(C=C1)NC=C2C=C3C4=C(C=CC(=C4)Cl)NC3=O","XEYOUOOKYMTFFI-GIDUJCDVSA-N",155811189,NA,"PDBC04747","763660","Present",NA,NA
+"4748","(3E)-5-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Chloro-3-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"C1=CC2=C(C=C1Cl)C(=CC3=C(N=C4N3C=CS4)Cl)C(=O)N2","SYVFVHQDJFUSLB-RMKNXTFCSA-N",5471427,NA,"PDBC04748","711082","Present",NA,NA
+"4749","(3E)-5-Chloro-3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-chloro-3-((2-(4-fluorophenyl)imidazo[1,2-a]pyridin...",NA,"C1=CC2=NC(=C(N2C=C1)C=C3C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=C(C=C5)F","JOFNURXHUOYLGE-SFQUDFHCSA-N",72724590,NA,"PDBC04749","761121","Present",NA,NA
+"4750","(3E)-5-Chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Chloro-3-[[2-chloro-1-[(4-chlorophenyl)methyl]-5-methoxy-6-methylindol-3-yl]methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2CC3=CC=C(C=C3)Cl)Cl)C=C4C5=C(C=CC(=C5)Cl)NC4=O","MEKYKNTWHBWPSY-SRZZPIQSSA-N",16738493,NA,"PDBC04750","734201","Present",NA,NA
+"4751","(3E)-5-Chloro-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Chloro-3-[[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,"COC1=CC(=C(C=C1)OC)C2=C(N3C=CSC3=N2)C=C4C5=C(C=CC(=C5)Cl)NC4=O","RJSQUSGXNDLQKH-RVDMUPIBSA-N",24205818,NA,"PDBC04751","736794","Present",NA,NA
+"4752","(3E)-5-Fluoro-3-[[6-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-fluoro-3-((6-(4-methoxyphenyl)-2-(3,4,5-trimethoxy...",NA,"COC1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)C4=CC(=C(C(=C4)OC)OC)OC)C=C5C6=C(C=CC(=C6)F)NC5=O","WQOZLWSKOKEMKF-XSFVSMFZSA-N",155805256,NA,"PDBC04752","774982","Present",NA,NA
+"4753","(3E)-5-Hydroxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Hydroxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one",NA,"C1=CC2=C(C=C1O)C(=CC3=CC=NC=C3)C(=O)N2","ZMRXQNFGLVDCPC-KPKJPENVSA-N",24203975,NA,"PDBC04753","730295","Present",NA,NA
+"4754","(3E)-5-Methoxy-3-(pyridin-3-ylmethylidene)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Methoxy-3-(pyridin-3-ylmethylidene)-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=O)C2=CC3=CN=CC=C3","NFNBEERTMYKIFV-NTUHNPAUSA-N",5473198,NA,"PDBC04754","724429","Present",NA,NA
+"4755","(3E)-5-Methoxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Methoxy-3-(pyridin-4-ylmethylidene)-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=O)C2=CC3=CC=NC=C3","AXUOLMPHNRLWPJ-MDWZMJQESA-N",24203974,NA,"PDBC04755","730294","Present",NA,NA
+"4756","(3E)-5-Methoxy-3-[(5-methoxy-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-methoxy-3-((5-methoxy-1H-indol-3-yl)methylene)indo...",NA,"COC1=CC2=C(C=C1)NC=C2C=C3C4=C(C=CC(=C4)OC)NC3=O","AUIOIYNOQUKXNU-FRKPEAEDSA-N",155805131,NA,"PDBC04756","763663","Present",NA,NA
+"4757","(3E)-5-Methoxy-3-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Methoxy-3-[(6-methyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=C(N2CCSC2=N1)C=C3C4=C(C=CC(=C4)OC)NC3=O","CWUAVZUKTPHJFR-XYOKQWHBSA-N",5471410,NA,"PDBC04757","711065","Present",NA,NA
+"4758","(3E)-5-Methoxy-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Methoxy-3-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=C(N2C=CSC2=N1)C=C3C4=C(C=CC(=C4)OC)NC3=O","MJQYBQSWXFHJAH-XYOKQWHBSA-N",10662822,NA,"PDBC04758","726901","Present",NA,NA
+"4759","(3E)-5-Methoxy-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Methoxy-3-[(6-phenyl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(N=C4N3CCS4)C5=CC=CC=C5","JBLPDOGPZUCBDZ-FOWTUZBSSA-N",5471411,NA,"PDBC04759","711066","Present",NA,NA
+"4760","(3E)-5-Methoxy-3-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Methoxy-3-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=O)C2=CC3=C(N=C4N3C=CS4)C5=CC=CC=C5","OLZFTZXFZIDYAL-FOWTUZBSSA-N",10809361,NA,"PDBC04760","728903","Present",NA,NA
+"4761","(3E)-5-Methoxy-3-[[6-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Methoxy-3-[[6-[(E)-(5-methoxy-2-oxo-1H-indol-3-ylidene)methyl]pyridin-2-yl]methylidene]-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=O)C2=CC3=NC(=CC=C3)C=C4C5=C(C=CC(=C5)OC)NC4=O","RSCGWRIXPSNEOA-CLVAPQHMSA-N",5473208,NA,"PDBC04761","724440","Present",NA,NA
+"4762","(3E)-5-Methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Methoxy-6-methyl-3-(pyridin-2-ylmethylidene)-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=CC=CC=N3)C(=O)N2","CEARWSYVVFRUEQ-MDWZMJQESA-N",5473201,NA,"PDBC04762","724432","Present",NA,NA
+"4763","(3E)-5-Methoxy-6-methyl-3-(pyridin-3-ylmethylidene)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Methoxy-6-methyl-3-(pyridin-3-ylmethylidene)-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=CN=CC=C3)C(=O)N2","SXDBOMRCCADVJU-NTUHNPAUSA-N",5473215,NA,"PDBC04763","724449","Present",NA,NA
+"4764","(3E)-5-Methoxy-6-methyl-3-(quinolin-4-ylmethylidene)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-5-Methoxy-6-methyl-3-(quinolin-4-ylmethylidene)-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=CC=NC4=CC=CC=C34)C(=O)N2","MNUZJHSPAUVVOG-MHWRWJLKSA-N",24203972,NA,"PDBC04764","730292","Present",NA,NA
+"4765","(3E)-6-Bromo-2,7-dichloro-3-(chloromethylidene)-7-methyloct-1-ene;(3Z)-6-bromo-2,7-dichloro-3-(chloromethylidene)-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-bromo-4-chloro-4-methylpentyl)-1,3-dichloro-1,3-but...",NA,"CC(C)(C(CCC(=CCl)C(=C)Cl)Br)Cl.CC(C)(C(CCC(=CCl)C(=C)Cl)Br)Cl","USYDWFYCSNPBNV-CENQFKCESA-N",5468044,NA,"PDBC04765","662824","Present",NA,NA
+"4766","(3E)-6-Chloro-3-[(2-methyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-6-chloro-3-((2-methyl-6-phenylimidazo[2,1-b][1,3,4]t...",NA,"CC1=NN2C(=C(N=C2S1)C3=CC=CC=C3)C=C4C5=C(C=C(C=C5)Cl)NC4=O","FISYECGKXKDVAD-XNTDXEJSSA-N",155811218,NA,"PDBC04766","767074","Present",NA,NA
+"4767","(3E)-6-Chloro-3-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-6-chloro-3-((2-(4-fluorophenyl)imidazo[1,2-a]pyridin...",NA,"C1=CC2=NC(=C(N2C=C1)C=C3C4=C(C=C(C=C4)Cl)NC3=O)C5=CC=C(C=C5)F","NUXMVACUYNHGTN-SFQUDFHCSA-N",72724591,NA,"PDBC04767","761130","Present",NA,NA
+"4768","(3E)-6-Chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-6-Chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one",NA,"C1C(=CC2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=C(O1)C=CC(=C4)Cl","YBSWZBLVUHORAI-LICLKQGHSA-N",45028757,NA,"PDBC04768","744062","Present",NA,NA
+"4769","(3E)-6-Methoxy-3-[[3-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-6-Methoxy-3-[[3-[2-(4-nitrophenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one",NA,"COC1=CC2=C(C=C1)OCC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C2=O","HSCOZMKANIYMSG-WOJGMQOQSA-N",45028756,NA,"PDBC04769","744061","Present",NA,NA
+"4770","(3E)-6-Methoxy-3-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-6-Methoxy-3-[[4-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]chromen-4-one",NA,"COC1=CC=C(C=C1)C(=O)COC2=CC=C(C=C2)C=C3COC4=C(C3=O)C=C(C=C4)OC","NAHVUTFVYPGCET-CPNJWEJPSA-N",45028755,NA,"PDBC04770","744060","Present",NA,NA
+"4771","(3E,10R,13S,17S)-10,13,17-Trimethyl-3-(2-piperidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,10R,13S,17S)-10,13,17-Trimethyl-3-(2-piperidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol",NA,"CC12CCC(=NOCCN3CCCCC3)C=C1CCC4C2CCC5(C4CCC5(C)O)C","RGCPGGMPBRETQV-KZAMWSQRSA-N",9572023,NA,"PDBC04771","690779","Present",NA,NA
+"4772","(3E,10R,13S,17S)-10,13,17-Trimethyl-3-(2-pyrrolidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,10R,13S,17S)-10,13,17-Trimethyl-3-(2-pyrrolidin-1-ylethoxyimino)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol",NA,"CC12CCC(=NOCCN3CCCC3)C=C1CCC4C2CCC5(C4CCC5(C)O)C","PDWOMRLKPDZJKU-YEDICODJSA-N",9572022,NA,"PDBC04772","690778","Present",NA,NA
+"4773","(3E,10R,13S,17S)-3-[2-(Diethylamino)ethoxyimino]-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,10R,13S,17S)-3-[2-(Diethylamino)ethoxyimino]-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ol",NA,"CCN(CC)CCON=C1CCC2(C3CCC4(C(C3CCC2=C1)CCC4(C)O)C)C","NUFNKKADZZCMSV-YEDICODJSA-N",9572021,NA,"PDBC04773","690777","Present",NA,NA
+"4774","(3E,11E)-6,8,14,16-Tetramethyl-2,6,8,10,14,16-hexazatricyclo[10.4.0.04,9]hexadeca-1,3,9,11-tetraene-5,7,13,15-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dipyrimido[4,5-b:4',5'-f][1,5]diazocine-2,4,8,10-tetrone...",NA,"CN1C2=NC=C3C(=NC=C2C(=O)N(C1=O)C)N(C(=O)N(C3=O)C)C","UQMZWLGTMUSOGR-PEQHWWSRSA-N",6141027,NA,"PDBC04774","639020","Present",NA,NA
+"4775","(3E,5E)-1,1-Dimethyl-3,5-bis(pyridin-4-ylmethylidene)piperidin-1-ium-4-one;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,5E)-1,1-Dimethyl-3,5-bis(pyridin-4-ylmethylidene)piperidin-1-ium-4-one;iodide",NA,"C[N+]1(CC(=CC2=CC=NC=C2)C(=O)C(=CC3=CC=NC=C3)C1)C.[I-]","GNVHAMQNHLOROG-OYJDLGDISA-M",5388502,NA,"PDBC04775","636678","Present",NA,NA
+"4776","(3E,5E)-1-Acetyl-3,5-bis[[4-(dimethylamino)phenyl]methylidene]piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,5E)-1-Acetyl-3,5-bis[[4-(dimethylamino)phenyl]methylidene]piperidin-4-one",NA,"CC(=O)N1CC(=CC2=CC=C(C=C2)N(C)C)C(=O)C(=CC3=CC=C(C=C3)N(C)C)C1","JAFZMHPHVMQUTH-NNFYUIBOSA-N",5387104,NA,"PDBC04776","620459","Present",NA,NA
+"4777","(3E,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]- 1-(1-...",NA,"C=CC(=O)N1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C1","GFARQYQBWJLZMW-JYFOCSDGSA-N",5351435,NA,"PDBC04777","687852","Present",NA,NA
+"4778","(3E,5E)-1-Ethyl-3,5-bis(2,4,5-trimethoxybenzylidene)piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(2,4,5-trimethoxy benzylidene)-Nethyl-4-piperidone",NA,"CCN1CC(=CC2=CC(=C(C=C2OC)OC)OC)C(=O)C(=CC3=CC(=C(C=C3OC)OC)OC)C1","GSEJAJDKHDQZJG-LQGKIZFRSA-N",5472750,NA,"PDBC04778","721452","Present",NA,NA
+"4779","(3E,5E)-1-Methyl-3,5-bis(2-thienylmethylene)piperidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,5E)-1-Methyl-3,5-bis(2-thienylmethylene)piperidin-4-ol",NA,"CN1CC(=CC2=CC=CS2)C(C(=CC3=CC=CS3)C1)O","RVAIPRMTUHGUHJ-QHKWOANTSA-N",5470913,NA,"PDBC04779","706210","Present",NA,NA
+"4780","(3E,5E)-1-Methyl-3,5-bis[(2-nitrophenyl)methylene]piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidinone, 1-methyl-3,5-bis[(2-nitrophenyl) methylene...",NA,"CN1CC(=CC2=CC=CC=C2[N+](=O)[O-])C(=O)C(=CC3=CC=CC=C3[N+](=O)[O-])C1.Cl","GGNXSOIQEKGRDP-UUHMWQSOSA-N",5468196,NA,"PDBC04780","666038","Present",NA,NA
+"4781","(3E,5E)-1-Methyl-3,5-bis[(3,4,5-trimethoxyphenyl)methylidene]piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,5E)-1-methyl-3,5-bis(3,4,5-trimethoxybenzylidene)pip...",NA,"CN1CC(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C1","OGEWTDITEXRGCF-GCBPPVMSSA-N",2327500,NA,"PDBC04781","765609","Present",NA,NA
+"4782","(3E,5E)-1-Methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,5E)-1-Methyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-4-one;hydrochloride",NA,"CN1CC(=CC2=CC=C(C=C2)SC)C(=O)C(=CC3=CC=C(C=C3)SC)C1.Cl","JQSQUUHICWNTBI-VIWUVAGBSA-N",54602249,NA,"PDBC04782","621887","Present",NA,NA
+"4783","(3E,5E)-1-[[1-[2-[(7-Chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methyl]-3,5-bis[(3,4-dimethoxyphenyl)methylidene]piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,5E)-1-((1-(2-(7-chloroquinolin-4-ylamino)ethyl)-1H-1...",NA,"COC1=C(C=C(C=C1)C=C2CN(CC(=CC3=CC(=C(C=C3)OC)OC)C2=O)CC4=CN(N=N4)CCNC5=C6C=CC(=CC6=NC=C5)Cl)OC","VSFLSYUPVKPQAV-JQMRRPHZSA-N",73051088,NA,"PDBC04783","766056","Present",NA,NA
+"4784","(3E,5E)-3,5-Bis[(4-chlorophenyl)methylidene]-1-[[1-[2-[(7-chloroquinolin-4-yl)amino]ethyl]triazol-4-yl]methyl]piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,5E)-3,5-bis(4-chlorobenzylidene)-1-((1-(2-(7-chloroq...",NA,"C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1CC4=CN(N=N4)CCNC5=C6C=CC(=CC6=NC=C5)Cl","KNXRNURZRRHJQF-FEZYOMQXSA-N",73051091,NA,"PDBC04784","766057","Present",NA,NA
+"4785","(3E,5E)-3,5-Bis[(4-chlorophenyl)methylidene]piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis[(4-chlorophenyl)methylene]-, (E,E)-",NA,"C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1","LBNHBGZGFHYLAA-KAVGSWPWSA-N",5469265,NA,"PDBC04785","685124","Present",NA,NA
+"4786","(3E,5E)-3,5-Bis[(4-fluorophenyl)methylidene]piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis[(4-fluorophenyl)methylene]-, (E,E)-",NA,"C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1","ASJBYMPCFLKDGD-KAVGSWPWSA-N",5469267,NA,"PDBC04786","685126","Present",NA,NA
+"4787","(3E,5E)-3,5-Bis[(4-nitrophenyl)methylidene]-1,1-dioxothian-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Thiopyran-4-one, tetrahydro-3,5-bis[(4-nitrophenyl)me...",NA,"C1C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])CS1(=O)=O","SSAMIOWVUGBIJK-VULZFCBJSA-N",6477008,NA,"PDBC04787","144303","Present",NA,NA
+"4788","(3E,5E)-3,5-Bis[(4-nitrophenyl)methylidene]piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis[(4-nitrophenyl)methylene]-, (E,E)-",NA,"C1C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])CN1","YUYPWAMLWZVHAE-KAVGSWPWSA-N",5469266,NA,"PDBC04788","685125","Present",NA,NA
+"4789","(3E,5E)-3,5-Dibenzylidene-1,1-dimethylpiperidin-1-ium-4-one;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,5E)-3,5-Dibenzylidene-1,1-dimethylpiperidin-1-ium-4-one;bromide",NA,"C[N+]1(CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1)C.[Br-]","CGOPQMRJDUJOKV-WKLZLTIDSA-M",5386935,NA,"PDBC04789","618768","Present",NA,NA
+"4790","(3E,5E)-3,5-Dibenzylidene-1-(3-pyrrolidin-1-ylpropanoyl)piperidin-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 1-[3-(1-pyrrolyl)-1-oxopropyl]-3,5- bis(...",NA,"C1CCN(C1)CCC(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2.Cl","OEHGGFQULIKGAM-WKTUUNTHSA-N",5388498,NA,"PDBC04790","636675","Present",NA,NA
+"4791","(3E,5E)-3,5-Dibenzylidene-1-[(E)-3-phenylprop-2-enoyl]piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis(phenylmethylene)-1-(1-oxo-3-phen...",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C=CC4=CC=CC=C4","VWRVRYWIRXZQDO-XWAIBNHXSA-N",5842258,NA,"PDBC04791","638634","Present",NA,NA
+"4792","(3E,5E)-3,5-Dibenzylidenepiperidin-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC609964",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1.Cl","TUYFFZOIQLBJAY-OYJDLGDISA-N",5386427,NA,"PDBC04792","609964","Present",NA,NA
+"4793","(3E,5E)-4,5-Dinitroocta-3,5-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693134",NA,"CCC=C(C(=CCC)[N+](=O)[O-])[N+](=O)[O-]","CTRFQIDYMJKGFC-KQQUZDAGSA-N",5469836,NA,"PDBC04793","693134","Present",NA,NA
+"4794","(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-Dihydroxy-6-[(2R)-2-[(2R,4S,5S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3-methoxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-10-[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-Dihydroxy-6-[(2R)-2-[(2R,4S,5S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3-met",NA,"CC1C=C(C=C(C=C(C(=O)OC(CC(C(CCC=C(C=CC1OC2C(C(C(C(O2)C)OC)O)O)C)O)OC)C(C3(C(C(C(C(O3)CC(COC)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)O)OC)(C)O)C)O)C)O)O)C)C)C","WILMROCKORZEMQ-AHZIBIADSA-N",5471806,NA,"PDBC04794","713799","Present",NA,NA
+"4795","(3E,5E,9E)-6,10,12-Trimethyltrideca-3,5,9-trien-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,5E,9E)-6,10,12-Trimethyltrideca-3,5,9-trien-2-one",NA,"CC(C)CC(=CCCC(=CC=CC(=O)C)C)C","IEWGQFMOWVUPCU-WJCSPQFJSA-N",5472294,NA,"PDBC04795","717800","Present",NA,NA
+"4796","(3E,6E)-3-(2-Oxo-1H-indol-3-ylidene)-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,6E)-3-(2-Oxo-1H-indol-3-ylidene)-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=C4C5=CC=CC=C5NC4=O)C(=O)N3","PGCSTFGLXYCKJU-DERSFYRZSA-N",5472002,NA,"PDBC04796","715812","Present",NA,NA
+"4797","(3E,6E)-3-Benzylidene-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,6E)-3-Benzylidene-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=CC=C4)C(=O)N3","VWXCKVBYLVZUDU-JFMUQQRKSA-N",5471488,NA,"PDBC04797","711720","Present",NA,NA
+"4798","(3E,6E)-3-[(4-Chlorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,6E)-3-[(4-Chlorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=C(C=C4)Cl)C(=O)N3","WPJZPZBORZAEIH-ADYPVIEZSA-N",5471996,NA,"PDBC04798","715806","Present",NA,NA
+"4799","(3E,6E)-3-[(4-Fluorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,6E)-3-[(4-Fluorophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=C(C=C4)F)C(=O)N3","HQPQWCNQDIUAPF-ADYPVIEZSA-N",5471995,NA,"PDBC04799","715805","Present",NA,NA
+"4800","(3E,6E)-3-[(4-Hydroxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,6E)-3-[(4-Hydroxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=C(C=C4)O)C(=O)N3","VMRWAZNKRMHWEJ-ADYPVIEZSA-N",5471489,NA,"PDBC04800","711721","Present",NA,NA
+"4801","(3E,6E)-3-[(4-Methoxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,6E)-3-[(4-Methoxyphenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,"COC1=CC=C(C=C1)C=C2C(=O)NC(=CC3=NC=C(C=C3)OCC4=CC=CC=C4)C(=O)N2","ZYBROJMDRVVDRZ-MSKUYSOUSA-N",5471994,NA,"PDBC04801","715804","Present",NA,NA
+"4802","(3E,6E)-3-[(4-Nitrophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,6E)-3-[(4-Nitrophenyl)methylidene]-6-[(5-phenylmethoxypyridin-2-yl)methylidene]piperazine-2,5-dione",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=C(C=C4)[N+](=O)[O-])C(=O)N3","RSACHGINDYIKER-ADYPVIEZSA-N",5471998,NA,"PDBC04802","715808","Present",NA,NA
+"4803","(3E,6E)-3-[(5-Phenylmethoxypyridin-2-yl)methylidene]-6-(pyridin-3-ylmethylidene)piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,6E)-3-[(5-Phenylmethoxypyridin-2-yl)methylidene]-6-(pyridin-3-ylmethylidene)piperazine-2,5-dione",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CN=CC=C4)C(=O)N3","FSSUZFFQYUGQQC-HGEIODPWSA-N",5472001,NA,"PDBC04803","715811","Present",NA,NA
+"4804","(3E,6E)-3-[(5-Phenylmethoxypyridin-2-yl)methylidene]-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,6E)-3-[(5-Phenylmethoxypyridin-2-yl)methylidene]-6-(thiophen-2-ylmethylidene)piperazine-2,5-dione",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)C=C3C(=O)NC(=CC4=CC=CS4)C(=O)N3","KKCZFEVBVDCMBU-AYKLPDECSA-N",5472000,NA,"PDBC04804","715810","Present",NA,NA
+"4805","(3E,7E)-4,7-Dimethoxy-1,1,1,10,10,10-hexachloro-3,7-decadiene-2,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E,7E)-4,7-Dimethoxy-1,1,1,10,10,10-hexachloro-3,7-decadiene-2,9-dione",NA,"COC(=CC(=O)C(Cl)(Cl)Cl)CCC(=CC(=O)C(Cl)(Cl)Cl)OC","HPKGONPDLFYGCN-KQQUZDAGSA-N",5472240,NA,"PDBC04805","717162","Present",NA,NA
+"4806","(3EZ)-3-[3,7-dichloro-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3EZ)-3-[3,5-bis(trifluoromethyl)-benzylidene]-6,7-dichl...",NA,"C1=CC(=C(C2=C1C(=CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)N2)Cl)Cl","WOUHHDSUCGPNJQ-VZUCSPMQSA-N",45029459,NA,"PDBC04806","746890","Present",NA,NA
+"4807","(3R)-3-Acetoxy-6-(acetylamino)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R)-3-Acetoxy-6-(acetylamino)-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C)NC(=O)C","BKCMRHQLNZNMFR-SECBINFHSA-N",385309,NA,"PDBC04807","676425","Present",NA,NA
+"4808","(3R)-3-Chloro-4-(3-chloro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4S)-3-chloro-4-(3-chloro-4-methoxyphenyl)-1-(3,4,5-t...",NA,"COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)Cl)Cl","NEWUFNXTKKEDNA-TZHYSIJRSA-N",155808914,NA,"PDBC04808","788820","Present",NA,NA
+"4809","(3R)-3-Chloro-4-(4-methylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4S)-3-chloro-4-(4-(methylthio)phenyl)-1-(3,4,5-trime...",NA,"COC1=CC(=CC(=C1OC)OC)N2C(C(C2=O)Cl)C3=CC=C(C=C3)SC","KTBCTQSJQQXDMB-TZHYSIJRSA-N",155810771,NA,"PDBC04809","788818","Present",NA,NA
+"4810","(3R)-3-Hydroxy-4-(4-methylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4S)-3-hydroxy-4-(4-(methylthio)phenyl)-1-(3,4,5-trim...",NA,"COC1=CC(=CC(=C1OC)OC)N2C(C(C2=O)O)C3=CC=C(C=C3)SC","IDOZAZATJGCQJE-ZYMOGRSISA-N",155811678,NA,"PDBC04810","788816","Present",NA,NA
+"4811","(3R)-3-Phenyl-5-methyl-7-acetyl-1H-pyrrolo[1,2-c]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R)-3-Phenyl-5-methyl-7-acetyl-1H-pyrrolo[1,2-c]thiazole",NA,"CC1=CC(=C2N1C(SC2)C3=CC=CC=C3)C(=O)C","OIKCXGHQGUMKGY-OAHLLOKOSA-N",402122,NA,"PDBC04811","715980","Present",NA,NA
+"4812","(3R)-3-[(2,5,9-Trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methylcarbamoyl]-1,4,7,10,13,16-hexaoxacyclooctadecane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R)-3-[(2,5,9-Trimethyl-7-oxofuro[3,2-g]chromen-3-yl)methylcarbamoyl]-1,4,7,10,13,16-hexaoxacyclooctadecane-2-carboxylic acid",NA,"CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CNC(=O)C4C(OCCOCCOCCOCCOCCO4)C(=O)O)C","OOLJVBOWQVUKQQ-AVJYQCBHSA-N",360864,NA,"PDBC04812","623542","Present",NA,NA
+"4813","(3R)-3alpha-Phenyl-3aalpha,4,5,6-tetrahydro-4-oxo-5-[(S)-1-phenylethyl]-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3R,3aS)-4-oxo-3-phenyl-5-[(1S)-1-phenylethyl]-3a,6-dihydro-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylate",NA,"CC(C1=CC=CC=C1)N2CC3=CC=CC=C3N4C(C2=O)C(C(=N4)C(=O)OC)C5=CC=CC=C5","YIZDAMGHIYYQGL-WYRQLCSISA-N",401219,NA,"PDBC04813","714423","Present",NA,NA
+"4814","(3R)-4-(3-Fluoro-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4R)-4-(3-fluoro-4-methoxyphenyl)-3-phenyl-1-(3,4,5-t...",NA,"COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)F","SXXFGTCCPRGGCJ-WTQRLHSKSA-N",155812520,NA,"PDBC04814","788819","Present",NA,NA
+"4815","(3R)-4-(4-Methylsulfanylphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4R)-4-(4-(methylthio)phenyl)-3-phenyl-1-(3,4,5-trime...",NA,"COC1=CC(=CC(=C1OC)OC)N2C(C(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)SC","SPTYKJSYNPOTDC-WTQRLHSKSA-N",155815256,NA,"PDBC04815","788817","Present",NA,NA
+"4816","(3R)-6,8-Dimethoxy-5-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-1,3-dimethyl-3,4-dihydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R)-6,8-Dimethoxy-5-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)-1,3-dimethyl-3,4-dihydroisoquinoline",NA,"CC1CC2=C(C(=CC(=C2C(=N1)C)OC)OC)C3=C4C=C(C=C(C4=C(C=C3)OCC5=CC=CC=C5)OC)C","SPLVHMBWVFXIPA-HXUWFJFHSA-N",398456,NA,"PDBC04816","708232","Present",NA,NA
+"4817","(3R)-Astragaluquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R)-Astragaluquinone",NA,"COC1=C(C2=C(CC(CO2)C3=CC(=O)C=C(C3=O)O)C=C1)OC","ZPNCZRGNATWPGL-JTQLQIEISA-N",73200,NA,"PDBC04817","681146","Present",NA,NA
+"4818","(3R,11S,14R,22S)-6,9,17,20-Tetramethoxy-11,22-dimethyl-13-oxo-1,12-diazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-5,7,9,16,18,20-hexaene-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazino[2,1-b:5,4-b']diisoquinolin-14(13aH)-one, 6-cyan...",NA,"CC1C2=C(C=CC(=C2CC3N1C(=O)C4CC5=C(C=CC(=C5C(N4C3C#N)C)OC)OC)OC)OC","LJEFZPSNBVJXJH-LRANKOCBSA-N",384758,NA,"PDBC04818","675012","Present",NA,NA
+"4819","(3R,3Ar,6R,6aR)-3,6-bis(oxiran-2-ylmethoxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mannitol, 1,4:3,6-dianhydro-2,5-bis-O-(2,3-epoxypropyl)-...",NA,"C1C(O1)COC2COC3C2OCC3OCC4CO4","JEBWAOITKHXCBF-IVWMKOAXSA-N",21139668,NA,"PDBC04819","56845","Present",NA,NA
+"4820","(3R,3Ar,8aR)-2,3,3a-trimethyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]furan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,3Ar,8aR)-2,3,3a-trimethyl-3,5,6,7,8,8a-hexahydro-2H-cyclohepta[b]furan-4-one",NA,"CC1C(OC2C1(C(=O)CCCC2)C)C","GMOOOMGCLWQSKR-VCZYFZCGSA-N",357668,NA,"PDBC04820","617185","Present",NA,NA
+"4821","(3R,3As)-3-(3,4-dimethoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,3As)-3-(3,4-dimethoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide",NA,"COC1=C(C=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2C(=S)N)OC","HLPODFJXOOBSPL-BEFAXECRSA-N",5467469,NA,"PDBC04821","652817","Present",NA,NA
+"4822","(3R,3As)-3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,3As)-3-(4-chlorophenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide",NA,"C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=C(C=C4)Cl)C(=S)N","VUUOBSLBXXLNEM-WBVHZDCISA-N",5467467,NA,"PDBC04822","652815","Present",NA,NA
+"4823","(3R,3As)-3-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,3As)-3-phenyl-3a,4-dihydrochromeno[4,3-c]pyrazole-2(3H)-carboxamide",NA,"C1C2C(N(N=C2C3=CC=CC=C3O1)C(=O)N)C4=CC=CC=C4","WIQHINSZZKPWDP-CJNGLKHVSA-N",374676,NA,"PDBC04823","652810","Present",NA,NA
+"4824","(3R,3As)-3-phenyl-3a,4-dihydro-3H-thiochromeno[4,3-c]pyrazole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,3As)-3-phenyl-3a,4-dihydrothiochromeno[4,3-c]pyrazole-2(3H)-carboxamide",NA,"C1C2C(N(N=C2C3=CC=CC=C3S1)C(=O)N)C4=CC=CC=C4","UWDGZLVIPODGSF-CJNGLKHVSA-N",374673,NA,"PDBC04824","652807","Present",NA,NA
+"4825","(3R,3As)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,3As)-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide",NA,"C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CS4)C(=S)N","KZLXGYHTRBEPKL-IUODEOHRSA-N",5467468,NA,"PDBC04825","652816","Present",NA,NA
+"4826","(3R,3As)-N,3-diphenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,3As)-N,3-diphenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide",NA,"C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5","BWNLLTCTWCABGR-GGAORHGYSA-N",5467470,NA,"PDBC04826","652818","Present",NA,NA
+"4827","(3R,4As,8S,9aR,9bR)-4a-hydroxy-2-methyl-3-[(E)-non-1-enyl]-8-[(2R,3S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,7,8,9,9a,9b-hexahydrocyclopenta[f]chromen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4aS,8R,9aR,9bR)-4a-hydroxy-2-methyl-3-((E)-non-1-en-...",NA,"CCCCCCCC=CC1C(=CC2C3CC(CC3=CC(=O)C2(O1)O)OC4C(C(C(C(O4)CO)O)O)O)C","HVSCBXKUDRKNQZ-XNPNBZJJSA-N",155805496,NA,"PDBC04827","794948","Present",NA,NA
+"4828","(3R,4R)-3-Amino-4-(4-ethylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4S)-3-amino-4-(4-(ethylthio)phenyl)-1-(3,4,5-trimeth...",NA,"CCSC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)N","KUUGAHMZWHBSDX-QZTJIDSGSA-N",155816363,NA,"PDBC04828","791053","Present",NA,NA
+"4829","(3R,4R)-3-Benzyl-4-[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4R)-3-Benzyl-4-[(3,4-dimethoxyphenyl)methyl]tetrahydrofuran-2-one",NA,"COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC=CC=C3)OC","ZSKMPIQKIFCKLW-DLBZAZTESA-N",384868,NA,"PDBC04829","675464","Present",NA,NA
+"4830","(3R,4R)-3-Chloro-4-(4-methoxy-3-methylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4S)-3-chloro-4-(4-methoxy-3-methylphenyl)-1-(3,4,5-t...",NA,"CC1=C(C=CC(=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)Cl)OC","KFODYAUSULKTSX-QZTJIDSGSA-N",155813412,NA,"PDBC04830","791049","Present",NA,NA
+"4831","(3R,4R)-4-(3-Fluoro-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4S)-4-(3-fluoro-4-methoxyphenyl)-3-phenoxy-1-(3,4,5-...",NA,"COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)OC4=CC=CC=C4)F","AEXUAHIBNSABRV-ISKFKSNPSA-N",155807117,NA,"PDBC04831","791048","Present",NA,NA
+"4832","(3R,4R)-4-(4-Ethoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4S)-4-(4-ethoxyphenyl)-3-phenoxy-1-(3,4,5-trimethoxy...",NA,"CCOC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)OC4=CC=CC=C4","BNIOJJYXZKOCHE-ILBGXUMGSA-N",155811906,NA,"PDBC04832","791052","Present",NA,NA
+"4833","(3R,4R)-4-(4-Ethylsulfanylphenyl)-3-hydroxy-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4S)-4-(4-(ethylthio)phenyl)-3-hydroxy-1-(3,4,5-trime...",NA,"CCSC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)O","RUIOTNLYRNVOJJ-QZTJIDSGSA-N",155815472,NA,"PDBC04833","791050","Present",NA,NA
+"4834","(3R,4R)-4-[(3,4-Dimethoxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]tetrahydrofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3r,4r)-4-(3,4-Dimethoxybenzyl)-3-(4-hydroxybenzyl)dihydrofuran-2(3h)-one",NA,"COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC=C(C=C3)O)OC","WYJJTUCSAJEFDD-DOTOQJQBSA-N",384869,NA,"PDBC04834","675465","Present",NA,NA
+"4835","(3R,4R,7R,10S)-3-Hydroxy-10-methyl-1-azatricyclo[5.2.1.04,10]decan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4R,7R,10S)-3-Hydroxy-10-methyl-1-azatricyclo[5.2.1.04,10]decan-2-one",NA,"CC12C3CCC1C(C(=O)N2CC3)O","LXULSPLKUUHRCA-JIOCBJNQSA-N",394166,NA,"PDBC04835","697402","Present",NA,NA
+"4836","(3R,4S)-3-Fluoro-4-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4S)-3-fluoro-4-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-t...",NA,"COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)F)F","VWZNJRLTGMVJIF-SJORKVTESA-N",155809212,NA,"PDBC04836","792959","Present",NA,NA
+"4837","(3R,4S)-3-Methyl-4-[(1S)-3-methylidene-1-phenylmethoxyoct-7-ynyl]oxetan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3r,4s)-4-[(1s)-1-Benzyloxy-3-methylene-oct-7-ynyl]-3-methyl-oxetan-2-one",NA,"CC1C(OC1=O)C(CC(=C)CCCC#C)OCC2=CC=CC=C2","RPKDAYUYRHZRPA-NEWSRXKRSA-N",396105,NA,"PDBC04837","701653","Present",NA,NA
+"4838","(3R,4S,5R)-3-Acetyl-5-ethoxy-3,4-dimethyloxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4S,5R)-3-Acetyl-5-ethoxy-3,4-dimethyloxolan-2-one",NA,"CCOC1C(C(C(=O)O1)(C)C(=O)C)C","ABNYWYXJKSMNKE-GTNGPMTGSA-N",6712083,NA,"PDBC04838","655620","Present",NA,NA
+"4839","(3R,5R,5As,7aalpha,11balpha)-3,5-Epidioxy-5a,6alpha-epoxy-3beta-isopropyl-8,11abeta-dimethyltetradecahydronaphtho[2,1-c]oxepin-8alpha-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,2S,4R,6R,7R,11S,12R,15R)-7,11-dimethyl-15-propan-2-yl-3,16,17,18-tetraoxapentacyclo[13.2.1.02,4.02,12.06,11]octadecane-7-carboxylate",NA,"CC(C)C12CCC3C4(CCCC(C4CC5C3(O5)C(O1)OO2)(C)C(=O)OC)C","MZRIDUZEWYOSMJ-FBKCGWEPSA-N",6712813,NA,"PDBC04839","715092","Present",NA,NA
+"4840","(3R,5R,7R,8R,9R,10S,13S,17R)-17-[(2S)-1-[(4R,5S)-5-(2-Hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,7-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,5R,7R,8R,9R,10S,13S,17R)-17-[(2S)-1-[(4R,5S)-5-(2-Hydroxypropan-2-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]propan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanth",NA,"CC(CC1C(OC(O1)(C)C)C(C)(C)O)C2CC=C3C2(CCC4C3(C(CC5C4(CCC(C5(C)C)O)C)O)C)C","CZELCPQXJQJLLJ-HFFQLPFPSA-N",385548,NA,"PDBC04840","676816","Present",NA,NA
+"4841","(3R,5S)-Fluvastatin(1-)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fluvastatin sodium (usan)",NA,"CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)[O-])O)O)C3=CC=C(C=C3)F","FJLGEFLZQAZZCD-MCBHFWOFSA-M",37888681,NA,"PDBC04841","765948","Present",NA,NA
+"4842","(3R,6R)-2,5-Dimethoxy-3-propan-2-yl-10-prop-1-en-2-yl-1,4-diazaspiro[5.5]undeca-1,4,9-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3r,6r)-10-Isopropenyl-3-isopropyl-2,5-dimethoxy-1,4-diazaspiro[5.5]undeca-1,4,9-triene",NA,"CC(C)C1C(=NC2(CCC=C(C2)C(=C)C)C(=N1)OC)OC","ZIGOLVUMLHFELM-RHSMWYFYSA-N",397609,NA,"PDBC04842","705950","Present",NA,NA
+"4843","(3R,6R,8As)-6-[(2S)-1-[(4-methoxyphenyl)methoxy]but-3-en-2-yl]-2,2,8a-trimethyl-3-phenyl-6-prop-2-enyl-7,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyridine-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,6R,8As)-6-[(2S)-1-[(4-methoxyphenyl)methoxy]but-3-en-2-yl]-2,2,8a-trimethyl-3-phenyl-6-prop-2-enyl-7,8-dihydro-3H-[1,3]oxazolo[3,2-a]pyridine-5-thione",NA,"CC1(C(N2C(=S)C(CCC2(O1)C)(CC=C)C(COCC3=CC=C(C=C3)OC)C=C)C4=CC=CC=C4)C","GOMKQAQKVFRLPO-HFLYTVKESA-N",401382,NA,"PDBC04843","714798","Present",NA,NA
+"4844","(3R,7R)-3-(Benzyloxymethyl)-5-oxo-7-[(tert-butyloxycarbonyl)amino]-8-(benzyloxy)-4-azaoctanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3R)-3-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoyl]amino]-4-phenylmethoxybutanoate",NA,"CC(C)(C)OC(=O)NC(CC(=O)NC(CC(=O)OC)COCC1=CC=CC=C1)COCC2=CC=CC=C2","FFUKDCYFLVOXTB-DNQXCXABSA-N",403122,NA,"PDBC04844","717709","Present",NA,NA
+"4845","(3R,7R,11R)-3,7-Bis(benzyloxymethyl)-5,9-dioxo-11-[(tert-butyloxycarbonyl)amino]-12-(benzyloxy)-4,8-diazadodecanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3R)-3-[[(3R)-3-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybutanoyl]amino]-4-phenylmethoxybutanoyl]amino]-4-phenylmethoxybutanoate",NA,"CC(C)(C)OC(=O)NC(CC(=O)NC(CC(=O)NC(CC(=O)OC)COCC1=CC=CC=C1)COCC2=CC=CC=C2)COCC3=CC=CC=C3","NNXBGONTNMPWBR-CKOYEXALSA-N",403121,NA,"PDBC04845","717708","Present",NA,NA
+"4846","(3R,7R,11R)-3,7-Bis[2-(methylthio)ethyl]-5,9-dioxo-11-[(tert-butyloxycarbonyl)amino]-13-(methylthio)-4,8-diazatridecanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3R)-3-[[(3R)-3-[[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-methylsulfanylpentanoyl]amino]-5-methylsulfanylpentanoyl]amino]-5-methylsulfanylpentanoate",NA,"CC(C)(C)OC(=O)NC(CCSC)CC(=O)NC(CCSC)CC(=O)NC(CCSC)CC(=O)OC","VCPBVKHVLJCGIW-FHWLQOOXSA-N",403118,NA,"PDBC04846","717705","Present",NA,NA
+"4847","(3R,7S,8S)-3-Hydroxy-8-(3,4,5-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,7S,8S)-3-Hydroxy-8-(3,4,5-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O","OUONRLWTLLDLLY-UEXGIBASSA-N",6711325,NA,"PDBC04847","618871","Present",NA,NA
+"4848","(3S)-(2,3,4,6-Tetra-O-pivaloyl-beta-D-glucopyranosyloxy)-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S)-(2,3,4,6-Tetra-O-pivaloyl-.beta.-D-glucopyranosylox...",NA,"CC(CC(=O)O)OC1C(C(C(C(O1)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C","QRNHOFMFSBYYME-XMNVBZPHSA-N",389869,NA,"PDBC04848","686497","Present",NA,NA
+"4849","(3S)-1,3-Dimethyl-1-phenylphospholan-1-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC616268",NA,"CC1CC[P+](C1)(C)C2=CC=CC=C2.[Br-]","JQERYCTZNNEJRR-BSGBVQJMSA-M",357440,NA,"PDBC04849","616268","Present",NA,NA
+"4850","(3S)-1,4-Bis(4-methoxybenzyl)-3alpha-isopropyl-6beta-(2-propynyl)piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3s,6r)-1,4-Bis(4-methoxybenzyl)-3-(1-methylethyl)-6-prop-2-yn-1-ylpiperazine-2,5-dione",NA,"CC(C)C1C(=O)N(C(C(=O)N1CC2=CC=C(C=C2)OC)CC#C)CC3=CC=C(C=C3)OC","OHRRBCMDVSOZPG-RPWUZVMVSA-N",399233,NA,"PDBC04850","709906","Present",NA,NA
+"4851","(3S)-1-Ethyl-2,3alpha-[carbonyl[(2S)-pyrrolidine-2alpha,1-diyl]carbonyl]-1,2,3,4-tetrahydro-beta-carboline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,15S)-12-Ethyl-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4,6,8-tetraene-14,20-dione",NA,"CCC1C2=C(CC3N1C(=O)C4CCCN4C3=O)C5=CC=CC=C5N2","SJWJPJNDPKSMRX-YVZMLIKISA-N",397162,NA,"PDBC04851","704567","Present",NA,NA
+"4852","(3S)-1-[(4-Bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S)-1-[(4-Bromophenyl)methyl]-3-[(1R)-1-chloroethyl]piperidine;oxalic acid",NA,"CC(C1CCCN(C1)CC2=CC=C(C=C2)Br)Cl.C(=O)(C(=O)O)O","YRKCBEFGIFMLRY-YLAFAASESA-N",54608918,NA,"PDBC04852","698191","Present",NA,NA
+"4853","(3S)-2,2,5,5-Tetramethylcyclohexane-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666519",NA,"CC1(CC(C(C(C1)O)(C)C)O)C","XONJWJKVJONLNF-JAMMHHFISA-N",380800,NA,"PDBC04853","666519","Present",NA,NA
+"4854","(3S)-2-(Diphenylphosphinyl)-3alpha,6alpha-diphenyl-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3s,6r)-2-(Diphenylphosphoryl)-3,6-diphenyl-3,6-dihydro-2h-1,2-oxazine",NA,"C1=CC=C(C=C1)C2C=CC(ON2P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","ZKHMWAJMPVFWDV-WUFINQPMSA-N",402153,NA,"PDBC04854","716013","Present",NA,NA
+"4855","(3S)-3-(2,3,4,6-Tetra-O-pivaloyl-beta-D-glucopyranosyloxy)-1-butanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S)-3-(2,3,4,6-Tetra-O-pivaloyl-.beta.-D-glucopyranosyl...",NA,"CC(CCO)OC1C(C(C(C(O1)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C","XHDHXJYDGGPACD-JOYQUEBISA-N",389870,NA,"PDBC04855","686498","Present",NA,NA
+"4856","(3S)-3-Methyl-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S)-3-Methyl-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one",NA,"CC1COC2(N1C(=O)CC2)C3=CC=CC=C3","ZDBOTWJOWGUVAN-NKUHCKNESA-N",359369,NA,"PDBC04856","620180","Present",NA,NA
+"4857","(3S)-3-[Tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S)-3-[Tert-butyl(diphenyl)silyl]oxy-4-(2-methoxyethoxymethoxy)-4-methylpentan-1-ol",NA,"CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC(CCO)C(C)(C)OCOCCOC","IABCDGQGRMGLKB-DEOSSOPVSA-N",357855,NA,"PDBC04857","617388","Present",NA,NA
+"4858","(3S)-3-[Tert-butyl(diphenyl)silyl]oxy-4-methylpentane-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S)-3-[Tert-butyl(diphenyl)silyl]oxy-4-methylpentane-1,4-diol",NA,"CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC(CCO)C(C)(C)O","VQJHELAMTAQHAQ-FQEVSTJZSA-N",357857,NA,"PDBC04858","617390","Present",NA,NA
+"4859","(3S)-3-[[2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-[5-[(2,2,2-trifluoroacetyl)amino]-1,3-oxazol-2-yl]propanoic acid;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S)-3-[[2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-[5-[(2,2,2-trifluoroacetyl)amino]-1,3-oxazol-2-yl]propanoic acid;2,2,2-trifluoroacetic acid",NA,"C1=C(OC(=N1)C(CC(=O)O)NC(=O)CNC(=O)C(CCCN=C(N)N)N)NC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O","OEPSLQMKYFNNBZ-WSZWBAFRSA-N",388727,NA,"PDBC04859","683781","Present",NA,NA
+"4860","(3S)-3alpha,6alpha-Bis(6-bromo-1H-indole-3-yl)piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,6S)-3,6-Bis(6-bromo-1H-indol-3-yl)piperazine-2,5-dione",NA,"C1=CC2=C(C=C1Br)NC=C2C3C(=O)NC(C(=O)N3)C4=CNC5=C4C=CC(=C5)Br","ODRKYJVSPNBJMV-ROUUACIJSA-N",6712393,NA,"PDBC04860","679832","Present",NA,NA
+"4861","(3S)-3beta-Methyl-3abeta,4,5,6-tetrahydro-4-oxo-5-[(S)-1-phenylethyl]-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3S,3aR)-3-methyl-4-oxo-5-[(1S)-1-phenylethyl]-3a,6-dihydro-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylate",NA,"CC1C2C(=O)N(CC3=CC=CC=C3N2N=C1C(=O)OC)C(C)C4=CC=CC=C4","ZKZMFKCVXXRLTK-QEEYODRMSA-N",401220,NA,"PDBC04861","714424","Present",NA,NA
+"4862","(3S)-4-[[(2S)-1-Amino-3-[4-[[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]-difluoromethyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]-difluoromethyl]phenyl]acetyl]amino]-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S)-4-[[(2S)-1-Amino-3-[4-[[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]-difluoromethyl]phenyl]-1-oxopropan-2-yl]amino]-3-[[2-[4-[[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-",NA,"CN(CCCCCl)P(=O)(C(C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CC(=O)O)NC(=O)CC2=CC=C(C=C2)C(F)(F)P(=O)(N(C)CCCCCl)OCC3=CC=C(O3)[N+](=O)[O-])(F)F)OCC4=CC=C(O4)[N+](=O)[O-]","PRCHHYKMPJHJNI-GATXNXEKSA-N",16109466,NA,"PDBC04862","740986","Present",NA,NA
+"4863","(3S)-5-(1-Hydroxydec-9-enyl)-2-pentyloxolan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S)-5-(1-Hydroxydec-9-en-1-yl)-2-pentyltetrahydrofuran-3-ol",NA,"CCCCCC1C(CC(O1)C(CCCCCCCC=C)O)O","ZPHRIOPZYRKRRG-JRVPFXOQSA-N",362024,NA,"PDBC04863","625524","Present",NA,NA
+"4864","(3S)-Benzyl-3-(2,4,6-tetra-O-pivaloyl-beta-D-glucopyranosyloxy)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S)-Benzyl-3-(2,3,4,6-tetra-O-pivaloyl-.beta.-D- glucop...",NA,"CC(CC(=O)OCC1=CC=CC=C1)OC2C(C(C(C(O2)COC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C","ZEHQEJIJYNWKGP-GPBXFXGDSA-N",389868,NA,"PDBC04864","686496","Present",NA,NA
+"4865","(3S)-Rel-N-Benzyl-3-benzylamino-D-aspartic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(benzylamino)succinic acid",NA,"C1=CC=C(C=C1)CNC(C(C(=O)O)NCC2=CC=CC=C2)C(=O)O","FZEXWQSUEVTZEC-UHFFFAOYSA-N",108349,NA,"PDBC04865","679576","Present",NA,NA
+"4866","(3S,10R,13S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,10R,13S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C)O","IXKJEQQDDXKZRU-AAJXSOPVSA-N",5471809,NA,"PDBC04866","713829","Present",NA,NA
+"4867","(3S,10R,13S,16E,17E)-16-[(3,4-Dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,10R,13S,16E,17E)-16-[(3,4-Dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC)OC)C4=NO)C)O","SQVIPVHRFBDAFK-LWHFHLNYSA-N",9572381,NA,"PDBC04867","713831","Present",NA,NA
+"4868","(3S,10R,13S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,10R,13S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=NO)C)O","LXEDNOMIDWNMKP-SGMYVYEHSA-N",9572382,NA,"PDBC04868","713832","Present",NA,NA
+"4869","(3S,10R,13S,16E,17S)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,10R,13S,16E,17S)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC)OC)C4O)C)N6CCCC6","OYKSHQPWYVOWDD-VUQWHWMBSA-N",5471810,NA,"PDBC04869","713830","Present",NA,NA
+"4870","(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-3-hydroxy-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-3-hydroxy-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalene-6-carboxylic acid",NA,"CCC1CCC2C(C1C(=O)O)CCC3(C2CCC3O)C","FRDKYJIOJJFINJ-NCGRVNECSA-N",386126,NA,"PDBC04870","677758","Present",NA,NA
+"4871","(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-6-(hydroxymethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-6-(hydroxymethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-ol",NA,"CCC1CCC2C(C1CO)CCC3(C2CCC3O)C","GWODHQGGWOVRBA-NWVXJKNISA-N",386131,NA,"PDBC04871","677763","Present",NA,NA
+"4872","(3S,3As,6aR)-3-(8-pyridin-3-yloctyl)-1-[(Z)-14-pyridin-3-yltetradec-4-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,3As,6aR)-3-(8-pyridin-3-yloctyl)-1-[(Z)-14-pyridin-3-yltetradec-4-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[c][1,2]oxazole",NA,"C1CC2C(C1)N(OC2CCCCCCCCC3=CN=CC=C3)CCCC=CCCCCCCCCCC4=CN=CC=C4","HGHNPXOXZZBCDJ-RICYTYLWSA-N",5472478,NA,"PDBC04872","719325","Present",NA,NA
+"4873","(3S,3As,6aS,7S,9S,9aR,9bS)-7-(2-cyano-2-methylpropyl)-3,9-dimethyl-6-methylidene-2,3,4,5,6a,7,8,9,9a,9b-decahydro-1H-phenalene-3a-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,3As,6aS,7S,9S,9aR,9bS)-7-(2-cyano-2-methylpropyl)-3,9-dimethyl-6-methylidene-2,3,4,5,6a,7,8,9,9a,9b-decahydro-1H-phenalene-3a-carbonitrile",NA,"CC1CCC2C(CC(C3C2C1(CCC3=C)C#N)CC(C)(C)C#N)C","SURUYXZBULCLST-XQOOQLJESA-N",54613706,NA,"PDBC04873","750180","Present",NA,NA
+"4874","(3S,3As,7E)-7-benzylidene-5-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carbothioamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,3As,7E)-7-benzylidene-5-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carbothioamide;hydrochloride",NA,"CN1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=S)N)C4=CC=CC=C4.Cl","ZYOPFPIGVXMDJN-JSZSVTAESA-N",11970010,NA,"PDBC04874","652821","Present",NA,NA
+"4875","(3S,4As)-1-methyl-3-(2-oxoazepan-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,4As)-1-methyl-3-(2-oxoazepan-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione",NA,"CC1=C2C(CC(O1)N3CCCCCC3=O)C(=O)C4=CC=CC=C4C2=O","RXRDFYUMBDLZGP-RDJZCZTQSA-N",54611662,NA,"PDBC04875","722391","Present",NA,NA
+"4876","(3S,4As)-1-methyl-3-(2-oxopyrrolidin-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,4As)-1-methyl-3-(2-oxopyrrolidin-1-yl)-4,4a-dihydro-3H-benzo[g]isochromene-5,10-dione",NA,"CC1=C2C(CC(O1)N3CCCC3=O)C(=O)C4=CC=CC=C4C2=O","QBTPDHGFSIKMSX-ZFWWWQNUSA-N",405257,NA,"PDBC04876","722389","Present",NA,NA
+"4877","(3S,4R,5S,6S)-2,3,6,7-Tetrabenzyl-1,1-dioxo-1,2,7-thiadiazepane-4,5-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,4R,5S,6S)-2,3,6,7-Tetrabenzyl-1,1-dioxo-1,2,7-thiadiazepane-4,5-diol",NA,"C1=CC=C(C=C1)CC2C(C(C(N(S(=O)(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5)O)O","NWHNYGAGGFJRFR-RTNMLALUSA-N",60147542,NA,"PDBC04877","751486","Present",NA,NA
+"4878","(3S,4R,6S)-6-[(3R,5R,7R,8R,9R,10S,13R,17R)-3,7-Dihydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,4R,6S)-6-[(3R,5R,7R,8R,9R,10S,13R,17R)-3,7-Dihydroxy-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylheptane-2,3,4-triol",NA,"CC(CC(C(C(C)(C)O)O)O)C1CC=C2C1(CCC3C2(C(CC4C3(CCC(C4(C)C)O)C)O)C)C","PLBUADNCCRCBSN-VAJHLULJSA-N",385547,NA,"PDBC04878","676815","Present",NA,NA
+"4879","(3S,4S)-3-Acetyl-5-ethoxy-3,4-dimethyloxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,4S)-3-Acetyl-5-ethoxy-3,4-dimethyloxolan-2-one",NA,"CCOC1C(C(C(=O)O1)(C)C(=O)C)C","ABNYWYXJKSMNKE-KODUZNSBSA-N",6712082,NA,"PDBC04879","655619","Present",NA,NA
+"4880","(3S,4S)-4,5-Dihydro-3,4-bis(2,4,6-trimethylbenzyl)-3-hydroxyfuran-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-8,8'-(2,2',4,4',6,6'-trimethyldibenzyl) butyro...",NA,"CC1=CC(=C(C(=C1)C)CC2COC(=O)C2(CC3=C(C=C(C=C3C)C)C)O)C","MFPYXMKRBHAZCY-RDPSFJRHSA-N",405101,NA,"PDBC04880","722055","Present",NA,NA
+"4881","(3S,5R)-1-Butoxypiperidine-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-n-Butoxy-[3(e), 4(a), 5(e)]-trihydroxypiperidine",NA,"CCCCON1CC(C(C(C1)O)O)O","NPBMWMGSLPABCK-JVHMLUBASA-N",384355,NA,"PDBC04881","674062","Present",NA,NA
+"4882","(3S,5S)-4-Benzyl-3,5-bis(2-methoxyphenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3s,5s)-4-Benzyl-3,5-bis(2-methoxyphenyl)hexahydro-1h-pyrrolizinium chloride",NA,"COC1=CC=CC=C1C2CCC3[N+]2(C(CC3)C4=CC=CC=C4OC)CC5=CC=CC=C5.[Cl-]","OAEZYKYBOOSSBK-JPGQFNKISA-M",402114,NA,"PDBC04882","715973","Present",NA,NA
+"4883","(3S,5S)-4-Benzyl-3,5-diphenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3s,5s)-4-Benzyl-3,5-diphenylhexahydro-1h-pyrrolizinium chloride",NA,"C1CC([N+]2(C1CCC2C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5.[Cl-]","UYAPNLJFPOXZNW-CZXXIYROSA-M",402112,NA,"PDBC04883","715972","Present",NA,NA
+"4884","(3S,5S)-4-[(4-Methoxyphenyl)methyl]-3,5-diphenyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3s,5s)-4-(4-Methoxybenzyl)-3,5-diphenylhexahydro-1h-pyrrolizinium chloride",NA,"COC1=CC=C(C=C1)C[N+]23C(CCC2C4=CC=CC=C4)CCC3C5=CC=CC=C5.[Cl-]","UFEKRYHIXFKFKL-BLSYMFMPSA-M",402110,NA,"PDBC04884","715971","Present",NA,NA
+"4885","(3S,5S,10S,13S,16E)-3-Hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,5S,10S,13S,16E)-3-Hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one",NA,"CC12CCC(CC1CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=O)C)O","JIYRBFMCLQNJBF-QXJARTKTSA-N",5471807,NA,"PDBC04885","713827","Present",NA,NA
+"4886","(3S,5S,10S,13S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,5S,10S,13S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,"CC12CCC(CC1CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=NO)C)O","PNBHMLGASSPCPL-VYADPPEQSA-N",9572380,NA,"PDBC04886","713828","Present",NA,NA
+"4887","(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-17-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-17-[3-(trifluoromethyl)-1H-pyrazol-5-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,"CC12CCC(CC1CCC3C2CCC4(C3CCC4C5=CC(=NN5)C(F)(F)F)C)O","VDGOOKRFIJJCSX-FNNUVKTMSA-N",256248,NA,"PDBC04887","82802","Present",NA,NA
+"4888","(3S,6R)-2-Butyl-3,6-dimethyl-3,6-dihydrothiazine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626439///NSC626440",NA,"CCCCN1C(C=CC(S1=O)C)C","DSCPEAOYVSQZFD-RGPRDZHESA-N",362483,NA,"PDBC04888","626439///626440","Present",NA,NA
+"4889","(3S,6R,8Ar)-3-(hydroxymethyl)-6,8a-dimethyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,6R,8Ar)-3-(hydroxymethyl)-6,8a-dimethyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one",NA,"CC1CCC2(N(C1=O)C(C(O2)C3=CC=CC=C3)CO)C","QUMCAXKLEUZCSW-MQMUZWCOSA-N",359394,NA,"PDBC04889","620237","Present",NA,NA
+"4890","(3S,6S)-3,6-Bis(5-bromo-1H-indol-3-yl)piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,6S)-3,6-Bis(5-bromo-1H-indol-3-yl)piperazine-2,5-dione",NA,"C1=CC2=C(C=C1Br)C(=CN2)C3C(=O)NC(C(=O)N3)C4=CNC5=C4C=C(C=C5)Br","QPIZORHRHWBUQI-ROUUACIJSA-N",6712394,NA,"PDBC04890","679833","Present",NA,NA
+"4891","(3S,6S,7Ar)-7a-methyl-3-propan-2-yl-6-prop-2-enyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,6S,7Ar)-7a-methyl-3-propan-2-yl-6-prop-2-enyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one",NA,"CC(C)C1COC2(N1C(=O)C(C2)CC=C)C","LPGVCHYMGORIPY-DMDPSCGWSA-N",6711340,NA,"PDBC04891","620187","Present",NA,NA
+"4892","(3S,6S,8S,12S,13R,16S,17R,20S,23S)-16-Amino-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosane-2,5,7,10,15,19,22-heptone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,6S,8S,12S,13R,16S,17R,20S,23S)-16-Amino-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]h",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)N)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O.Cl","XSFBBAUCKZLPJO-FIXNCQTHSA-N",381473,NA,"PDBC04892","668102","Present",NA,NA
+"4893","(3S,8Ar)-3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8Ar)-3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one",NA,"CC12CCCC(=O)N1C(C(O2)C3=CC=CC=C3)CO","HMPLCFQDHIGQMF-XSDATEAUSA-N",359395,NA,"PDBC04893","620238","Present",NA,NA
+"4894","(3S,8R,10S,13R,17R)-10,13-Dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-olate;1-phenylbutane-1,3-dione;titanium(4+);hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".cis.-Bis(5.alpha.-cholestane-3.beta.-olato)bis(1-phenyl...",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)[O-])C)C.CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)[O-])C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Ti+4]","GMDDOQDFSMANDN-YVVVAJMBSA-N",369313,NA,"PDBC04894","641072","Present",NA,NA
+"4895","(3S,8R,9S,10R,13S,14S,16E)-3-Hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E)-3-Hydroxy-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=O)C)O","PYWGMPHICGZCRW-QEAOPJSWSA-N",5470700,NA,"PDBC04895","704612","Present",NA,NA
+"4896","(3S,8R,9S,10R,13S,14S,16E)-3-Hydroxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E)-3-Hydroxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-one",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4=O)C)O","LGWMHNQKTCVZTP-MOLOORIASA-N",5472098,NA,"PDBC04896","716261","Present",NA,NA
+"4897","(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-2,3,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,"CC12CCC(C=C1CCC3C2CCC4(C3CC(=CC5=CC=NC=C5)C4=NO)C)O","UDTGKJQQPUBJIT-SXUNDNFOSA-N",135436266,NA,"PDBC04897","716560","Present",NA,NA
+"4898","(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4=NO)C)O","XBRLAACNYRXSOQ-GRCUBCSMSA-N",9572444,NA,"PDBC04898","716262","Present",NA,NA
+"4899","(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)OC)C4=NO)C)O","ATWMXNRCCIAGGO-YMVYNNDNSA-N",9572507,NA,"PDBC04899","718185","Present",NA,NA
+"4900","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-3-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-3-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CN=CC=C5)C4O)C)O","GZFIAGMCKJOTMU-NVVIKRRJSA-N",5472448,NA,"PDBC04900","718809","Present",NA,NA
+"4901","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=NC=C5)C4O)C)O","IEAWNVNMMQIOKH-LTVDPJLQSA-N",5472323,NA,"PDBC04901","717879","Present",NA,NA
+"4902","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol",NA,"CC12CCC(C=C1CCC3C2CCC4(C3CC(=CC5=CC=NC=C5)C4O)C)N6CCCC6","SEMWNMDNLBLNSK-RKXRPQCWSA-N",5472144,NA,"PDBC04902","716559","Present",NA,NA
+"4903","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4O)C)O","AGJAFKNMBPIZFE-QMHUUZMFSA-N",5470701,NA,"PDBC04903","704613","Present",NA,NA
+"4904","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4O)C)O","CHCOIPAZGMXLFP-VFAPJLIGSA-N",5472101,NA,"PDBC04904","716264","Present",NA,NA
+"4905","(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4O)C)N6CCCC6","FLZAEJAYKQOFFH-OMKFAQTESA-N",5472376,NA,"PDBC04905","718179","Present",NA,NA
+"4906","(3S,8R,9S,10R,13S,14S,16E,17S)-16-[(4-Methoxyphenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16E,17S)-16-[(4-Methoxyphenyl)methylidene]-10,13-dimethyl-3-pyrrolidin-1-yl-1,2,3,6,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-ol",NA,"CC12CCC(C=C1CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)OC)C4O)C)N6CCCC6","YBBAOXVTHGOFAJ-OVMRKUDESA-N",5472148,NA,"PDBC04906","716563","Present",NA,NA
+"4907","(3S,8R,9S,10R,13S,14S,16Z,17S)-16-Benzylidene-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16Z,17S)-16-Benzylidene-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthrene-3,17-diol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=CC=C5)C4O)C)O","UJAGXNQAAJDDLR-JGIXPTSTSA-N",5470422,NA,"PDBC04907","701567","Present",NA,NA
+"4908","(3S,8R,9S,10R,13S,14S,16Z,17Z)-17-Hydrazinylidene-16-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8R,9S,10R,13S,14S,16Z,17Z)-17-Hydrazinylidene-16-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=NO)C4=NN)C)O","PZRLBEKSVFUJLE-DZSIGOOSSA-N",135509229,NA,"PDBC04908","682443","Present",NA,NA
+"4909","(3S,8S,10R,13R)-10,13-Dimethyl-17-[(2S)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate;1-phenylbutane-1,3-dione;titanium(4+);hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".cis.-Bis(5-cholestene-3.beta.-olato)bis(1-phenylbutane-...",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Ti+4]","XXWOFGMMUIIBQX-NGORGYMYSA-N",369318,NA,"PDBC04909","641075","Present",NA,NA
+"4910","(3S,8S,10R,13S,17S)-17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olate;1-phenylbutane-1,3-dione;titanium(4+);hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".cis.-Bis(1-phenylbutane-1,3-dionato)bis(5-pregnene-20-o...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.Cl.[Ti+4]","YFJIIPXBULHACV-PYUPRQTASA-N",369320,NA,"PDBC04910","641076","Present",NA,NA
+"4911","(3Z)-1,1-Dimethyl-3-(4-phenyl-5-phenylimino-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1,1-Dimethyl-3-(4-phenyl-5-phenylimino-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,"CN(C)C(=S)N=C1N(C(=NC2=CC=CC=C2)SS1)C3=CC=CC=C3","DXNDTEDEDHZVKV-BGPQIKKZSA-N",9569854,NA,"PDBC04911","622577","Present",NA,NA
+"4912","(3Z)-1,1-Dimethyl-3-[4-(pyridin-2-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1,1-Dimethyl-3-[4-(pyridin-2-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea",NA,"CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC=CC=N2","CHRQMWFBTUXQFM-RAXLEYEMSA-N",9571678,NA,"PDBC04912","645617","Present",NA,NA
+"4913","(3Z)-1,1-Dimethyl-3-[4-(pyridin-3-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1,1-Dimethyl-3-[4-(pyridin-3-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea",NA,"CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CN=CC=C2","AZOVJLSFJSTPPL-RAXLEYEMSA-N",9571679,NA,"PDBC04913","645619","Present",NA,NA
+"4914","(3Z)-1,1-Dimethyl-3-[4-(pyridin-4-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1,1-Dimethyl-3-[4-(pyridin-4-ylmethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene]thiourea",NA,"CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC=NC=C2","FINOSAKDLMRRQE-RAXLEYEMSA-N",9571680,NA,"PDBC04914","645620","Present",NA,NA
+"4915","(3Z)-1-(2,6-Dichlorophenyl)-3-(1H-indol-3-ylmethylidene)indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-(2,6-Dichlorophenyl)-3-(1H-indol-3-ylmethylidene)indol-2-one",NA,"C1=CC=C2C(=C1)C(=CN2)C=C3C4=CC=CC=C4N(C3=O)C5=C(C=CC=C5Cl)Cl","MWCSZMHDPXPXJT-ATVHPVEESA-N",49844548,NA,"PDBC04915","749916","Present",NA,NA
+"4916","(3Z)-1-(2,6-Dichlorophenyl)-3-(pyridin-2-ylmethylidene)indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-(2,6-Dichlorophenyl)-3-(pyridin-2-ylmethylidene)indol-2-one",NA,"C1=CC=C2C(=C1)C(=CC3=CC=CC=N3)C(=O)N2C4=C(C=CC=C4Cl)Cl","FFOJPWLKCHNOJO-QINSGFPZSA-N",49845169,NA,"PDBC04916","751278","Present",NA,NA
+"4917","(3Z)-1-(2,6-Dichlorophenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-(2,6-Dichlorophenyl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]indol-2-one",NA,"COC1=CC(=CC(=C1O)OC)C=C2C3=CC=CC=C3N(C2=O)C4=C(C=CC=C4Cl)Cl","FJFISXFAMYWPSK-GDNBJRDFSA-N",60147866,NA,"PDBC04917","752703","Present",NA,NA
+"4918","(3Z)-1-(2,6-Dichlorophenyl)-3-[(4-oxochromen-3-yl)methylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-(2,6-Dichlorophenyl)-3-[(4-oxochromen-3-yl)methylidene]indol-2-one",NA,"C1=CC=C2C(=C1)C(=CC3=COC4=CC=CC=C4C3=O)C(=O)N2C5=C(C=CC=C5Cl)Cl","HHZMLXUEMCFXBW-ATVHPVEESA-N",49844091,NA,"PDBC04918","750510","Present",NA,NA
+"4919","(3Z)-1-(2,6-Dichlorophenyl)-3-[[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]methylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-(2,6-Dichlorophenyl)-3-[[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]methylidene]indol-2-one",NA,"C1CCN(CC1)CC(CN2C=C(C3=CC=CC=C32)C=C4C5=CC=CC=C5N(C4=O)C6=C(C=CC=C6Cl)Cl)O","DJABJRMXDITREC-UQQQWYQISA-N",60148112,NA,"PDBC04919","753653","Present",NA,NA
+"4920","(3Z)-1-(Dimethylaminomethyl)-3-[[3-(4-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]imino]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-(Dimethylaminomethyl)-3-[[3-(4-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]imino]indolin-2-one",NA,"CN(C)CN1C2=CC=CC=C2C(=NN3C(=NNC3=S)C4=CC=NC=C4)C1=O","FQENVSRRBAHCSO-JCMHNJIXSA-N",9572272,NA,"PDBC04920","710102","Present",NA,NA
+"4921","(3Z)-1-Acetyl-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-Acetyl-3-[2-(4-chlorophenyl)-2-oxo-ethylidene]indolin-2-one",NA,"CC(=O)N1C2=CC=CC=C2C(=CC(=O)C3=CC=C(C=C3)Cl)C1=O","ITDAWHHKMOCDRG-GDNBJRDFSA-N",5469074,NA,"PDBC04921","682576","Present",NA,NA
+"4922","(3Z)-1-Benzyl-3-[2-oxo-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-benzyl-3-(2-oxo-2-(4-(2-(piperidin-1-yl)ethoxy)phe...",NA,"C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C=C3C4=CC=CC=C4N(C3=O)CC5=CC=CC=C5","ZNAFLZCWPQJIMC-MEFGMAGPSA-N",155810486,NA,"PDBC04922","795438","Present",NA,NA
+"4923","(3Z)-1-Methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-Methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,"CN1C2=CC=CC=C2C(=CC3=CC(=C(C(=C3)OC)OC)OC)C1=O","PLQNNZRIXIRLMP-ZROIWOOFSA-N",5427240,NA,"PDBC04923","736803","Present",NA,NA
+"4924","(3Z)-1-Phenyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-Phenyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C3=CC=CC=C3N(C2=O)C4=CC=CC=C4","OFHRWFXRXGUJHM-UYRXBGFRSA-N",24205823,NA,"PDBC04924","736804","Present",NA,NA
+"4925","(3Z)-1-Tert-butyl-4-[hydroxy(phenyl)methyl]-4-methyl-3-(phenylsulfanylmethylidene)pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-Tert-butyl-4-[hydroxy(phenyl)methyl]-4-methyl-3-(phenylsulfanylmethylidene)pyrrolidin-2-one",NA,"CC1(CN(C(=O)C1=CSC2=CC=CC=C2)C(C)(C)C)C(C3=CC=CC=C3)O","NUQXMWRGUPTMEM-XDJHFCHBSA-N",5470809,NA,"PDBC04925","705328","Present",NA,NA
+"4926","(3Z)-1-[(4-Chlorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-[(4-Chlorophenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)Cl","ULTTWEDVSRXDEM-NDENLUEZSA-N",60147487,NA,"PDBC04926","747141","Present",NA,NA
+"4927","(3Z)-1-[(4-Methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-[(4-Methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,"COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O","DATJBXOUJWERMT-BKUYFWCQSA-N",60147494,NA,"PDBC04927","750425","Present",NA,NA
+"4928","(3Z)-1-[(4-Methoxyphenyl)methyl]-3-[2-oxo-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(4-methoxybenzyl)-3-(2-oxo-2-(4-(2-(piperidin-1-yl...",NA,"COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC(=O)C4=CC=C(C=C4)OCCN5CCCCC5)C2=O","DJRJSZBAPSDZKP-HFTWOUSFSA-N",155811937,NA,"PDBC04928","795436","Present",NA,NA
+"4929","(3Z)-1-[(4-Methoxyphenyl)methyl]-3-[2-oxo-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]ethylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(4-methoxybenzyl)-3-(2-oxo-2-(4-(2-(pyrrolidin-1-y...",NA,"COC1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC(=O)C4=CC=C(C=C4)OCCN5CCCC5)C2=O","QOFBVWMOCYOXFX-OOAXWGSJSA-N",155808598,NA,"PDBC04929","795437","Present",NA,NA
+"4930","(3Z)-1-[(4-Nitrophenyl)methyl]-3-[2-oxo-2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(4-nitrobenzyl)-3-(2-oxo-2-(4-(2-(piperidin-1-yl)e...",NA,"C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C=C3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)[N+](=O)[O-]","ADXAANDXJRLZBY-OOAXWGSJSA-N",155808963,NA,"PDBC04930","795435","Present",NA,NA
+"4931","(3Z)-2,6-Dichloro-3-(chloromethylidene)-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-2,6-Dichloro-3-(chloromethylidene)-7-methyloct-1-ene",NA,"CC(C)C(CCC(=CCl)C(=C)Cl)Cl","LRKRTWUQVNVKCD-TWGQIWQCSA-N",5468473,NA,"PDBC04931","670796","Present",NA,NA
+"4932","(3Z)-2-Acetyl-3-phenacylidene-6-phenyl-1H-pyridazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-2-Acetyl-3-phenacylidene-6-phenyl-1H-pyridazin-4-one",NA,"CC(=O)N1C(=CC(=O)C2=CC=CC=C2)C(=O)C=C(N1)C3=CC=CC=C3","SMSBZIUKKSQWAV-AQTBWJFISA-N",5472609,NA,"PDBC04932","720432","Present",NA,NA
+"4933","(3Z)-3-(1H-Indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-(1H-Indol-3-ylmethylidene)-5-methoxy-6-methyl-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=CNC4=CC=CC=C43)C(=O)N2","DJZCQLOTDSVFMB-NVNXTCNLSA-N",45028054,NA,"PDBC04933","740940","Present",NA,NA
+"4934","(3Z)-3-(4-Benzyl-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene)-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-(4-Benzyl-5-sulfanylidene-1,2,4-dithiazolidin-3-ylidene)-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC=CC=C2","OEWZOYXMHZWAPJ-QBFSEMIESA-N",5917066,NA,"PDBC04934","645616","Present",NA,NA
+"4935","(3Z)-3-(Benzenesulfonylimino)-2-(4-benzylpyridin-1-ium-1-yl)-4-oxonaphthalen-1-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-(Benzenesulfonylimino)-2-(4-benzylpyridin-1-ium-1-yl)-4-oxonaphthalen-1-olate",NA,"C1=CC=C(C=C1)CC2=CC=[N+](C=C2)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=CC=C5)[O-]","VQSHSHLMIALHJN-UHFFFAOYSA-N",9571592,NA,"PDBC04935","685894","Present",NA,NA
+"4936","(3Z)-3-(Bromomethylidene)-2,6-dichloro-7-methyloct-1-ene;(3Z)-2,6-dichloro-3-(chloromethylidene)-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-(Bromomethylidene)-2,6-dichloro-7-methyloct-1-ene;(3Z)-2,6-dichloro-3-(chloromethylidene)-7-methyloct-1-ene",NA,"CC(C)C(CCC(=CCl)C(=C)Cl)Cl.CC(C)C(CCC(=CBr)C(=C)Cl)Cl","NBEMHONFEUUSMA-SYXDLNHMSA-N",54608172,NA,"PDBC04936","670797","Present",NA,NA
+"4937","(3Z)-3-(Furan-2-ylmethylidene)-1-phenylimidazo[1,5-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-(Furan-2-ylmethylidene)-1-phenylimidazo[1,5-a]benzimidazole",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CO3)C4=NC5=CC=CC=C5N24","MORKEWDFMLYVIQ-LGMDPLHJSA-N",5472490,NA,"PDBC04937","719478","Present",NA,NA
+"4938","(3Z)-3-(Nitromethylene)isoindolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-(Nitromethylene)isoindolin-1-one",NA,"C1=CC=C2C(=C1)C(=C[N+](=O)[O-])NC2=O","QULTWTXKICJKPZ-YVMONPNESA-N",3004239,NA,"PDBC04938","640181","Present",NA,NA
+"4939","(3Z)-3-Benzylidene-6-methylheptane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-Benzylidene-6-methylheptane-2,4-dione",NA,"CC(C)CC(=O)C(=CC1=CC=CC=C1)C(=O)C","ATFMUXNHOMLTMA-UVTDQMKNSA-N",54603898,NA,"PDBC04939","46598","Present",NA,NA
+"4940","(3Z)-3-Ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-Ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine",NA,"CC=C1CCC2C3=C(CCN2C1)C4=CC=CC=C4N3","GVGJKCCVRKFWAF-OIXVIMQBSA-N",5386991,NA,"PDBC04940","619166","Present",NA,NA
+"4941","(3Z)-3-Hydroxyimino-1,1-dioxo-benzothiophen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-Hydroxyimino-1,1-dioxo-benzothiophen-2-one",NA,"C1=CC=C2C(=C1)C(=NO)C(=O)S2(=O)=O","POJIANUANJZGOF-CLFYSBASSA-N",9569950,NA,"PDBC04941","628942","Present",NA,NA
+"4942","(3Z)-3-Hydroxyiminonorbornan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-Hydroxyiminonorbornan-2-one",NA,"C1CC2CC1C(=NO)C2=O","RFLQLLFBADZRJD-VURMDHGXSA-N",6411512,NA,"PDBC04942","631315","Present",NA,NA
+"4943","(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=C(N2C(=N1)SC(=N2)C)C=C3C4=CC=CC=C4NC3=O","PNHQBFVRTUYIFT-XFFZJAGNSA-N",24205829,NA,"PDBC04943","736811","Present",NA,NA
+"4944","(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-5-methoxy-1H-indol-2-one",NA,"CC1=C(N2C(=N1)SC(=N2)C)C=C3C4=C(C=CC(=C4)OC)NC3=O","VSBUDAPYBIPUJQ-GHXNOFRVSA-N",24205826,NA,"PDBC04944","736808","Present",NA,NA
+"4945","(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1-methylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-5-hydroxy-1-methylindol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)O)N(C3=O)C","HDKSLTJASNZBSB-QPEQYQDCSA-N",24205836,NA,"PDBC04945","736818","Present",NA,NA
+"4946","(3Z)-3-[(2-Amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-2,5-bis(4-chlorophenyl)-4-oxo-hexanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(2-Amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinylidene]-2,5-bis(4-chlorophenyl)-4-oxohexanedinitrile",NA,"C1=CC(=CC=C1C(C#N)C(=NNC2=NC(=S)NN2N)C(=O)C(C#N)C3=CC=C(C=C3)Cl)Cl","JGSXQIPIMRJNPJ-PKAZHMFMSA-N",6374931,NA,"PDBC04946","635338","Present",NA,NA
+"4947","(3Z)-3-[(2-Chloro-5-hydroxy-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(2-Chloro-5-hydroxy-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,"C1=CC=C2C(=C1)C(=CC3=C(NC4=C3C=C(C=C4)O)Cl)C(=O)N2","KUWIIHSTSPFZQQ-JYRVWZFOSA-N",5472245,NA,"PDBC04947","717202","Present",NA,NA
+"4948","(3Z)-3-[(2-Chloro-5-hydroxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(2-Chloro-5-hydroxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1O)C(=C(N2)Cl)C=C3C4=CC=CC=C4NC3=O","FDOYKTRXINPHEN-QPEQYQDCSA-N",5472244,NA,"PDBC04948","717201","Present",NA,NA
+"4949","(3Z)-3-[(2-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(2-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3Cl)C4=NC5=CC=CC=C5N24","XTWIHKHAKBGJQC-RGEXLXHISA-N",5472492,NA,"PDBC04949","719480","Present",NA,NA
+"4950","(3Z)-3-[(2Z)-2-Phenyl-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)imino]ethylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-phenyl-2-((5-phenyl-1,3,4-thiadiazol-2-yl)imino)eth...",NA,"C1=CC=C(C=C1)C2=NN=C(S2)N=C(C=C3C4=CC=CC=C4NC3=O)C5=CC=CC=C5","MUPVJGCNUBUCGC-MBHLKRKKSA-N",155808498,NA,"PDBC04950","767490","Present",NA,NA
+"4951","(3Z)-3-[(2Z)-2-[[5-(4-Chlorophenyl)-1,3,4-thiadiazol-2-yl]imino]-2-phenylethylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((Z)-2-((5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl)...",NA,"C1=CC=C(C=C1)C(=NC2=NN=C(S2)C3=CC=C(C=C3)Cl)C=C4C5=CC=CC=C5NC4=O","IOVKPVMOBMCBFC-AFHJPKRYSA-N",155806688,NA,"PDBC04951","767496","Present",NA,NA
+"4952","(3Z)-3-[(3,4-Dimethoxyphenyl)methylene]-1,5-diphenyl-pyrrolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(3,4-Dimethoxyphenyl)methylene]-1,5-diphenyl-pyrrolidine-2,4-dione",NA,"COC1=C(C=C(C=C1)C=C2C(=O)C(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC","ASAGPBWLSSJBSS-HKWRFOASSA-N",5468074,NA,"PDBC04952","663782","Present",NA,NA
+"4953","(3Z)-3-[(3-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(3-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)Cl)C4=NC5=CC=CC=C5N24","WULBRFKCIUKLCF-RGEXLXHISA-N",5472489,NA,"PDBC04953","719477","Present",NA,NA
+"4954","(3Z)-3-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]-5,7-dichloro-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]-5,7-dichloro-indolin-2-one",NA,"CC1=NN=C(N1N)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O","TXKAEZDWITVOHI-UHFFFAOYSA-N",366700,NA,"PDBC04954","635417","Present",NA,NA
+"4955","(3Z)-3-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazono]indolin-2-one",NA,"CC1=NN=C(N1N)N=NC2=C(NC3=CC=CC=C32)O","BOBZKHLJPPBCGK-UHFFFAOYSA-N",366654,NA,"PDBC04955","635329","Present",NA,NA
+"4956","(3Z)-3-[(4-Amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-5,7-dichloro-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(4-Amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-5,7-dichloro-indolin-2-one",NA,"C1=C(C=C(C2=C1C(=C(N2)O)N=NC3=NNC(=S)N3N)Cl)Cl","SLETXGXTGUJQHH-UHFFFAOYSA-N",3004184,NA,"PDBC04956","635419","Present",NA,NA
+"4957","(3Z)-3-[(4-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(4-Chlorophenyl)methylidene]-1-phenylimidazo[1,5-a]benzimidazole",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5N24","GMVJFLXAPDWVMF-RGEXLXHISA-N",5472491,NA,"PDBC04957","719479","Present",NA,NA
+"4958","(3Z)-3-[(4Z)-4-[(4-Methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(4Z)-4-[(4-Methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one",NA,"CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N=C4C5=CC=CC=C5NC4=O","UOFUWGXMINBKEP-QNGOZBTKSA-N",135436180,NA,"PDBC04958","711932","Present",NA,NA
+"4959","(3Z)-3-[(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1H-indol-2-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N=C4C5=CC=CC=C5NC4=O","VYZUKZMGEPPYLN-JWGURIENSA-N",135436181,NA,"PDBC04959","711933","Present",NA,NA
+"4960","(3Z)-3-[(4Z)-5-Oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]imino-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(4Z)-5-Oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]imino-1H-indol-2-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2N=C4C5=CC=CC=C5NC4=O","AFUUNJXZBNPMDG-RGEXLXHISA-N",135436182,NA,"PDBC04960","711934","Present",NA,NA
+"4961","(3Z)-3-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]imino-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]imino-1H-indol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N=C4C5=CC=CC=C5NC4=O","JFBUHZWSOZKUAC-MOSHPQCFSA-N",135436177,NA,"PDBC04961","711929","Present",NA,NA
+"4962","(3Z)-3-[(5-Methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5-Methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CN2)C=C3C4=CC=CC=C4N(C3=O)C","ANUDEEIEJAULHM-SXGWCWSVSA-N",24205080,NA,"PDBC04962","734187","Present",NA,NA
+"4963","(3Z)-3-[(5-Methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5-Methoxy-6-methyl-1H-indol-3-yl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CN2)C=C3C4=CC=CC=C4NC3=O","CNRYKOGHRMEXKZ-NVNXTCNLSA-N",24204571,NA,"PDBC04963","732190","Present",NA,NA
+"4964","(3Z)-3-[(5-Methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]chromane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5-Methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]chromane-2,4-dione",NA,"CC1=CC2=C(C=C1)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","WIFJNMKIYDTKAJ-XFXZXTDPSA-N",3004466,NA,"PDBC04964","657441","Present",NA,NA
+"4965","(3Z)-3-[(5-Methyl-4-phenyl-thiazol-2-yl)hydrazono]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5-Methyl-4-phenyl-thiazol-2-yl)hydrazono]indolin-2-one",NA,"CC1=C(N=C(S1)N=NC2=C(NC3=CC=CC=C32)O)C4=CC=CC=C4","MZBMBWUJTBPJML-UHFFFAOYSA-N",376652,NA,"PDBC04965","657698","Present",NA,NA
+"4966","(3Z)-3-[(5-Oxo-2-thioxo-imidazolidin-1-yl)methylene]chromane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5-Oxo-2-thioxo-imidazolidin-1-yl)methylene]chromane-2,4-dione",NA,"C1C(=O)N(C(=S)N1)C=C2C(=O)C3=CC=CC=C3OC2=O","AGHLDPMXDVRLAZ-VURMDHGXSA-N",3004527,NA,"PDBC04966","658295","Present",NA,NA
+"4967","(3Z)-3-[(5Z)-4-(3,4-Dichlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-4-(3,4-Dichlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC(=C(C=C2)Cl)Cl","HOCWQBLTOMMNSQ-JTFWXBGUSA-N",9569865,NA,"PDBC04967","622593","Present",NA,NA
+"4968","(3Z)-3-[(5Z)-4-(3-Chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-4-(3-Chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC(=CC=C2)Cl","QLCKJVUEQCVBHK-YKVSKMSXSA-N",9569866,NA,"PDBC04968","622594","Present",NA,NA
+"4969","(3Z)-3-[(5Z)-4-(4-Chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-4-(4-Chlorophenyl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=C(C=C2)Cl","FOEQEQZVBLLSBB-YKVSKMSXSA-N",9569867,NA,"PDBC04969","622595","Present",NA,NA
+"4970","(3Z)-3-[(5Z)-4-Butyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-4-Butyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CCCCN1C(=NC(=S)N(C)C)SSC1=NC(=S)N(C)C","VCNTXUVTNPELIL-XSYHWHKQSA-N",5934800,NA,"PDBC04970","622674","Present",NA,NA
+"4971","(3Z)-3-[(5Z)-4-Cyclohexyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-4-Cyclohexyl-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2CCCCC2","CAOPUZXLQRIKTB-VMNXYWKNSA-N",9569864,NA,"PDBC04971","622592","Present",NA,NA
+"4972","(3Z)-3-[(5Z)-4-[4-(Dimethylamino)phenyl]-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-4-[4-(Dimethylamino)phenyl]-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CN(C)C1=CC=C(C=C1)N2C(=NC(=S)N(C)C)SSC2=NC(=S)N(C)C","GUMQXHUNOMRTJY-IQRFGFHNSA-N",9569857,NA,"PDBC04972","622582","Present",NA,NA
+"4973","(3Z)-3-[(5Z)-5-(Benzenesulfonylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-5-(Benzenesulfonylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=NS(=O)(=O)C2=CC=CC=C2)SS1)C3=CC=CC=C3","DDYHZFMYFSEZGK-YGGBKCGDSA-N",9569855,NA,"PDBC04973","622578","Present",NA,NA
+"4974","(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-(4-methoxyphenyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-(4-methoxyphenyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=C(C=C2)OC","BXJMRIJZCFXCDB-RYOQUFEFSA-N",9569860,NA,"PDBC04974","622586","Present",NA,NA
+"4975","(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-(furan-2-ylmethyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-(furan-2-ylmethyl)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)CC2=CC=CO2","YUEPLAIPVAONPW-DZDAAMPGSA-N",5934339,NA,"PDBC04975","622603","Present",NA,NA
+"4976","(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-5-(Dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylurea",NA,"CN(C)C(=O)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=CC=C2","ICECZHHAXIVRJW-VMNXYWKNSA-N",9569869,NA,"PDBC04976","622600","Present",NA,NA
+"4977","(3Z)-3-[(Aminocarbonyl)hydrazono]-3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-3-(carbamoylhydrazinylidene)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropanamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)C(=NNC(=O)N)C(=O)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","GQKAUXWWONXNLA-KMUKQRDJSA-N",135483955,NA,"PDBC04977","642032","Present",NA,NA
+"4978","(3Z)-3-[1-(4-Chlorophenyl)ethylidene]-1,5-diphenylpyrrolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[1-(4-Chlorophenyl)ethylidene]-1,5-diphenylpyrrolidine-2,4-dione",NA,"CC(=C1C(=O)C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","ZDXJENPFEJSTEA-PGMHBOJBSA-N",5472383,NA,"PDBC04978","718190","Present",NA,NA
+"4979","(3Z)-3-[3,5-Bis(trifluoromethyl)phenyl]imino-1,7,7-trimethyl-norbornan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3z)-3-{[3,5-Bis(trifluoromethyl)phenyl]imino}-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",NA,"CC1(C2CCC1(C(=O)C2=NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C)C","SKSSZZCUVRWMLJ-UHFFFAOYSA-N",395319,NA,"PDBC04979","699801","Present",NA,NA
+"4980","(3Z)-3-[4-(4-Chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(dimethylaminomethyl)indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[4-(4-Chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(dimethylaminomethyl)indolin-2-one",NA,"CC1=CC=C(C=C1)C2=CC(=NC(=N2)N=C3C4=CC=CC=C4N(C3=O)CN(C)C)C5=CC=C(C=C5)Cl","BPHSRFLQQCYMJJ-FSRJSHLRSA-N",9572274,NA,"PDBC04980","710104","Present",NA,NA
+"4981","(3Z)-3-[4-(4-Chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(morpholinomethyl)indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[4-(4-Chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(morpholinomethyl)indolin-2-one",NA,"CC1=CC=C(C=C1)C2=CC(=NC(=N2)N=C3C4=CC=CC=C4N(C3=O)CN5CCOCC5)C6=CC=C(C=C6)Cl","JRVMYDFPVPXWJX-BFYITVNDSA-N",9572275,NA,"PDBC04981","710105","Present",NA,NA
+"4982","(3Z)-3-[Bis[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[Bis[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one",NA,"CN(C)C1=CC=C(C=C1)C(=NN=C2C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)N(C)C","HPJHBOFIXACTSU-UHFFFAOYSA-N",135436345,NA,"PDBC04982","720446","Present",NA,NA
+"4983","(3Z)-3-[Hydroxy(methoxy)methylene]-8a-vinyl-decalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8a-Ethenyl-3-[hydroxy(methoxy)methylidene]octahydronaphthalen-2(1H)-one",NA,"COC(=O)C1=C(CC2(CCCCC2C1)C=C)O","DXFMJZORWYCGFC-UHFFFAOYSA-N",54676226,NA,"PDBC04983","624380","Present",NA,NA
+"4984","(3Z)-3-[Hydroxy(phenyl)methylidene]-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[Hydroxy(phenyl)methylidene]-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-5,7-dimethyl-1,1-dioxopyrido[3,2-e]thiazin-4-one",NA,"CC1=CC(=NC2=C1C(=O)C(=C(C3=CC=CC=C3)O)N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC=C5OC)C","NKRSJOODVBVELJ-DQSJHHFOSA-N",5471801,NA,"PDBC04984","713760","Present",NA,NA
+"4985","(3Z)-3-[Hydroxy(phenyl)methylidene]-5,7-dimethyl-1,1-dioxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrido[3,2-e]thiazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[Hydroxy(phenyl)methylidene]-5,7-dimethyl-1,1-dioxo-2-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]pyrido[3,2-e]thiazin-4-one",NA,"CC1=CC(=NC2=C1C(=O)C(=C(C3=CC=CC=C3)O)N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)C","LIBWRIIJRAQZSU-RQZHXJHFSA-N",5471800,NA,"PDBC04985","713759","Present",NA,NA
+"4986","(3Z)-3-[[(2E,4Z)-2-Acetonylidene-5-oxo-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylene]chromane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[(2E,4Z)-5-Oxo-2-(2-oxopropylidene)-4-[(E)-3-phenylprop-2-enylidene]imidazolidin-1-yl]methylidene]chromene-2,4-dione",NA,"CC(=O)C=C1NC(=CC=CC2=CC=CC=C2)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O","HTZDFEWGQAPOFD-UGDNDXFDSA-N",6477397,NA,"PDBC04986","658481","Present",NA,NA
+"4987","(3Z)-3-[[1-(2,6-Dichlorobenzoyl)indol-3-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[1-(2,6-Dichlorobenzoyl)indol-3-yl]methylidene]-1H-indol-2-one",NA,"C1=CC=C2C(=C1)C(=CC3=CN(C4=CC=CC=C43)C(=O)C5=C(C=CC=C5Cl)Cl)C(=O)N2","VZFWBLNAWKREPU-ATVHPVEESA-N",49844546,NA,"PDBC04987","751864","Present",NA,NA
+"4988","(3Z)-3-[[2-(1,3-Benzoxazol-2-yl)hydrazino]methylene]tetrahydrothiophene-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[2-(1,3-Benzoxazol-2-yl)hydrazino]methylene]tetrahydrothiophene-2,4-dione",NA,"C1C(=C(C(=O)S1)C=NNC2=NC3=CC=CC=C3O2)O","AKMYQOJKZKUDCJ-WLRTZDKTSA-N",135409216,NA,"PDBC04988","667515","Present",NA,NA
+"4989","(3Z)-3-[[3-(3,4,5-Trimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)methy...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=C3C4=CC=CC=C4NC3=O","YWZGSEUBCHQZRX-GDNBJRDFSA-N",136961559,NA,"PDBC04989","774962","Present",NA,NA
+"4990","(3Z)-3-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one",NA,"CC1=CC2=C(C=C1)SCC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)Cl)C2=O","URPDJNGRNCHXJL-XDHOZWIPSA-N",45028771,NA,"PDBC04990","744076","Present",NA,NA
+"4991","(3Z)-3-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[3-[2-(4-Chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one",NA,"C1C(=CC2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4S1","XQKKOIYEUJBQEH-LDADJPATSA-N",45028764,NA,"PDBC04991","744069","Present",NA,NA
+"4992","(3Z)-3-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]-6-methylthiochromen-4-one",NA,"CC1=CC2=C(C=C1)SCC(=CC3=CC(=CC=C3)OCC(=O)C4=CC=C(C=C4)OC)C2=O","QAUSYDQWMOJAMW-DEDYPNTBSA-N",45028770,NA,"PDBC04992","744075","Present",NA,NA
+"4993","(3Z)-3-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[3-[2-(4-Methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one",NA,"COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)C=C3CSC4=CC=CC=C4C3=O","WMQGVTTVSRUIAG-CPNJWEJPSA-N",45028763,NA,"PDBC04993","744068","Present",NA,NA
+"4994","(3Z)-3-[[4-(3,4-Dichlorophenyl)thiazol-2-yl]hydrazono]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indol-2(3H)-one,3-[4-(3,4-dichlorophenyl)-2-thiazolyl...",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC(=C(C=C4)Cl)Cl","YFMNXGKRBKNNST-UHFFFAOYSA-N",376577,NA,"PDBC04994","657589","Present",NA,NA
+"4995","(3Z)-3-[[4-(3-Nitrophenyl)thiazol-2-yl]hydrazono]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[4-(3-Nitrophenyl)thiazol-2-yl]hydrazono]indolin-2-one",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]","TZNGUMWXTDRGMN-UHFFFAOYSA-N",4412709,NA,"PDBC04995","657568","Present",NA,NA
+"4996","(3Z)-3-[[4-(4-Chlorophenyl)-1H-pyrazol-5-yl]methylidene]-1,5-diphenylpyrrolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[4-(4-Chlorophenyl)-1H-pyrazol-5-yl]methylidene]-1,5-diphenylpyrrolidine-2,4-dione",NA,"C1=CC=C(C=C1)C2C(=O)C(=CC3=C(C=NN3)C4=CC=C(C=C4)Cl)C(=O)N2C5=CC=CC=C5","SQTAUNOVHULWLQ-QNGOZBTKSA-N",5472384,NA,"PDBC04996","718192","Present",NA,NA
+"4997","(3Z)-3-[[4-(4-Methylphenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(4-p-tolylthiazol-2-ylimino)indolin-2-one",NA,"CC1=CC=C(C=C1)C2=CSC(=N2)N=C3C4=CC=CC=C4NC3=O","UNICHHVGPQHJKL-UHFFFAOYSA-N",155812132,NA,"PDBC04997","795068","Present",NA,NA
+"4998","(3Z)-3-[[4-[(2-Hydroxynaphthalen-1-yl)diazenyl]phenyl]methylidene]oxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[4-[(2-Hydroxynaphthalen-1-yl)diazenyl]phenyl]methylidene]oxolan-2-one",NA,"C1COC(=O)C1=CC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O","INXIOKNAUPYOLQ-NQRGCLEISA-N",135502420,NA,"PDBC04998","401604","Present",NA,NA
+"4999","(3Z)-3-[[6-(2,5-Dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[6-(2,5-Dimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1-methylindol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3)OC)OC)C=C4C5=CC=CC=C5N(C4=O)C","YTWRJKWUAPZLGC-ATVHPVEESA-N",24206019,NA,"PDBC04999","737700","Present",NA,NA
+"5000","(3Z)-3-[[6-(2-Bromo-3,4,5-trimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[6-(2-Bromo-3,4,5-trimethoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C3=CC(=C(C(=C3Br)OC)OC)OC)C=C4C5=CC=CC=C5NC4=O","HCQJJKOZXHHWNS-ZROIWOOFSA-N",45028217,NA,"PDBC05000","741769","Present",NA,NA
+"5001","(3Z)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-hydroxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[6-(4-Chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-5-hydroxy-1H-indol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C=C4C5=C(C=CC(=C5)O)NC4=O","NLMZJILKTCBQGM-SXGWCWSVSA-N",24206018,NA,"PDBC05001","737699","Present",NA,NA
+"5002","(3Z)-4,4,4-Trifluoro-3-hydroxyimino-1-(2-thienyl)butan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-4,4,4-Trifluoro-3-hydroxyimino-1-(2-thienyl)butan-1-one",NA,"C1=CSC(=C1)C(=O)CC(=NO)C(F)(F)F","JNZBZAKYNOOCRU-GHXNOFRVSA-N",6381316,NA,"PDBC05002","700241","Present",NA,NA
+"5003","(3Z)-4-Benzoyl-3-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-5-phenylfuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-4-Benzoyl-3-[(E)-1-(4-nitrophenyl)ethylidenehydrazinylidene]-5-phenylfuran-2-one",NA,"CC(=NN=C1C(=C(OC1=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]","PIMDCIAGRLOXJQ-DCDLWSLLSA-N",9572567,NA,"PDBC05003","720407","Present",NA,NA
+"5004","(3Z)-4-Chloro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-4-Chloro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C3=C(C=CC=C3Cl)NC2=O","QFNDMZQPAINLDZ-XFFZJAGNSA-N",24205821,NA,"PDBC05004","736797","Present",NA,NA
+"5005","(3Z)-5,7-Dichloro-3-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5,7-Dichloro-3-[(E)-(2,5-dimethoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one",NA,"COC1=CC(=C(C=C1)OC)C=NN=C2C3=C(C(=CC(=C3)Cl)Cl)NC2=O","XOSPQIUARCHGCG-DNTJNYDQSA-N",135452600,NA,"PDBC05005","329278","Present",NA,NA
+"5006","(3Z)-5,7-Dichloro-3-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5,7-Dichloro-3-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one",NA,"C1=CC=C(C(=C1)C=NN=C2C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","DZQYOAFZPRHYMC-CNHKJKLMSA-N",135493663,NA,"PDBC05006","337743","Present",NA,NA
+"5007","(3Z)-5,7-Dichloro-3-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5,7-Dichloro-3-[(E)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1H-indol-2-one",NA,"CN(C)C1=CC=C(C=C1)C=NN=C2C3=C(C(=CC(=C3)Cl)Cl)NC2=O","JDPDRMRHHQTAMK-AWQFTUOYSA-N",135452573,NA,"PDBC05007","327697","Present",NA,NA
+"5008","(3Z)-5-(3-Aminopropyl)-3-[(E)-3-[(2R)-2-(1,3-dithiolan-2-ylmethyl)cyclopentyl]-1-hydroxyprop-2-enylidene]pyrrolidine-2,4-dione;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-(3-Aminopropyl)-3-[(E)-3-[(2R)-2-(1,3-dithiolan-2-ylmethyl)cyclopentyl]-1-hydroxyprop-2-enylidene]pyrrolidine-2,4-dione;2,2,2-trifluoroacetic acid",NA,"C1CC(C(C1)C=CC(=C2C(=O)C(NC2=O)CCCN)O)CC3SCCS3.C(=O)(C(F)(F)F)O","JNNSXCHFXUYRQM-DWOQYYJDSA-N",54679352,NA,"PDBC05008","620626","Present",NA,NA
+"5009","(3Z)-5-(Dimethylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-(Dimethylamino)-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,"CN(C)C1=CC2=C(C=C1)NC(=O)C2=CC3=CC(=C(C(=C3)OC)OC)OC","IRUNVMJSHKQLGI-NVNXTCNLSA-N",60147486,NA,"PDBC05009","747139","Present",NA,NA
+"5010","(3Z)-5-Bromo-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Bromo-3-[(2-chloro-5-methoxy-1,6-dimethylindol-3-yl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=C(N2C)Cl)C=C3C4=C(C=CC(=C4)Br)NC3=O","RHXAZNRSVNENCZ-NVNXTCNLSA-N",45028220,NA,"PDBC05010","741773","Present",NA,NA
+"5011","(3Z)-5-Bromo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Bromo-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C3=C(C=CC(=C3)Br)NC2=O","OKBRRRLUPZOKEY-MLPAPPSSSA-N",6075235,NA,"PDBC05011","747138","Present",NA,NA
+"5012","(3Z)-5-Bromo-3-[(E)-[3-butyl-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Bromo-3-[(E)-[3-butyl-4-(4-nitrophenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-1H-indol-2-one",NA,"CCCCN1C(=CSC1=NN=C2C3=C(C=CC(=C3)Br)NC2=O)C4=CC=C(C=C4)[N+](=O)[O-]","XXDWKVRVPMKVOH-NJNXFGOHSA-N",135436147,NA,"PDBC05012","710327","Present",NA,NA
+"5013","(3Z)-5-Bromo-3-[2-(4-methoxyphenyl)-2-oxoethylidene]-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indol-2-one, 5-bromo-2,3-dihydro-3-[[(4-methoxyphenyl...",NA,"COC1=CC=C(C=C1)C(=O)C=C2C3=C(C=CC(=C3)Br)NC2=O","QGBUWAJLMMCNQF-ZROIWOOFSA-N",6509922,NA,"PDBC05013","201459","Present",NA,NA
+"5014","(3Z)-5-Chloro-1-(1-piperidylmethyl)-3-[[3-(4-pyridyl)-5-sulfanyl-1,2,4-triazol-4-yl]imino]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Chloro-1-(piperidin-1-ylmethyl)-3-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)imino]indol-2-one",NA,"C1CCN(CC1)CN2C3=C(C=C(C=C3)Cl)C(=NN4C(=NNC4=S)C5=CC=NC=C5)C2=O","HOOPXKBLUIMULK-ITYLOYPMSA-N",9572273,NA,"PDBC05014","710103","Present",NA,NA
+"5015","(3Z)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylidene]-1H-indol-2-one",NA,"CC1=C(N2C(=N1)SC(=N2)C)C=C3C4=C(C=CC(=C4)Cl)NC3=O","KCYKAXWZSSFVCG-WDZFZDKYSA-N",24205825,NA,"PDBC05015","736807","Present",NA,NA
+"5016","(3Z)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Chloro-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-1-methylindol-2-one",NA,"CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)Cl)N(C3=O)C","HRWWQTGGSBWADB-QPEQYQDCSA-N",24205835,NA,"PDBC05016","736817","Present",NA,NA
+"5017","(3Z)-5-Chloro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Chloro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C3=C(C=CC(=C3)Cl)NC2=O","UBHPXDOWPCUKCB-MLPAPPSSSA-N",2338588,NA,"PDBC05017","736798","Present",NA,NA
+"5018","(3Z)-5-Chloro-3-[4-(4-chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(1-piperidylmethyl)indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Chloro-3-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]imino-1-(piperidin-1-ylmethyl)indol-2-one",NA,"CC1=CC=C(C=C1)C2=CC(=NC(=N2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCCCC5)C6=CC=C(C=C6)Cl","UJNIYUFIVZLPJN-JTHRFTPNSA-N",9572276,NA,"PDBC05018","710106","Present",NA,NA
+"5019","(3Z)-5-Chloro-3-[4-(4-chlorophenyl)-6-(p-tolyl)pyrimidin-2-yl]imino-1-(morpholinomethyl)indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Chloro-3-[4-(4-chlorophenyl)-6-(4-methylphenyl)pyrimidin-2-yl]imino-1-(morpholin-4-ylmethyl)indol-2-one",NA,"CC1=CC=C(C=C1)C2=CC(=NC(=N2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCOCC5)C6=CC=C(C=C6)Cl","HHTDMNZPYPMVFK-NUDFZHEQSA-N",9572277,NA,"PDBC05019","710107","Present",NA,NA
+"5020","(3Z)-5-Chloro-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Chloro-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,"CC1=CC=C(C=C1)C2=C(N3C=C(SC3=N2)C)C=C4C5=C(C=CC(=C5)Cl)NC4=O","YPKICSODRGDPKQ-YVLHZVERSA-N",24205832,NA,"PDBC05020","736814","Present",NA,NA
+"5021","(3Z)-5-Chloro-3-[[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-((3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=C3C4=C(C=CC(=C4)Cl)NC3=O","CPNWKUCQXYMQCY-DHDCSXOGSA-N",136961558,NA,"PDBC05021","774960","Present",NA,NA
+"5022","(3Z)-5-Chloro-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-((3-(4-methoxyphenyl)-1H-pyrazol-5-yl)met...",NA,"COC1=CC=C(C=C1)C2=NNC(=C2)C=C3C4=C(C=CC(=C4)Cl)NC3=O","CMNWETUIASLFMP-SXGWCWSVSA-N",136961554,NA,"PDBC05022","768423","Present",NA,NA
+"5023","(3Z)-5-Chloro-3-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]imino]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-(4-(4-chlorophenyl)thiazol-2-ylimino)indo...",NA,"C1=CC(=CC=C1C2=CSC(=N2)N=C3C4=C(C=CC(=C4)Cl)NC3=O)Cl","LTWZJBVWEHLSON-UHFFFAOYSA-N",155815047,NA,"PDBC05023","795071","Present",NA,NA
+"5024","(3Z)-5-Fluoro-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Fluoro-3-(3,4,5-trimethoxybenzylidene)-1,3-dihydro-2H-indol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C3=C(C=CC(=C3)F)NC2=O","XINISPIAUUKSSZ-MLPAPPSSSA-N",5829927,NA,"PDBC05024","737698","Present",NA,NA
+"5025","(3Z)-5-Hydroxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Hydroxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C3=C(C=CC(=C3)O)NC2=O","JFFWXTOQRVDLAC-MLPAPPSSSA-N",24205822,NA,"PDBC05025","736802","Present",NA,NA
+"5026","(3Z)-5-Hydroxy-3-[(5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Hydroxy-3-[(5-methoxy-6-methyl-1H-indol-3-yl)methylidene]-1-methylindol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CN2)C=C3C4=C(C=CC(=C4)O)N(C3=O)C","LTZJROJEKGEBHC-APSNUPSMSA-N",24205079,NA,"PDBC05026","734186","Present",NA,NA
+"5027","(3Z)-5-Hydroxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Hydroxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)N2","RUBHQVUAFKVOCO-MLPAPPSSSA-N",60147490,NA,"PDBC05027","747152","Present",NA,NA
+"5028","(3Z)-5-Methoxy-1-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Methoxy-1-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,"COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC)C(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O","VFAYNVOZNVEVPV-UUYOSTAYSA-N",60147492,NA,"PDBC05028","750022","Present",NA,NA
+"5029","(3Z)-5-Methoxy-1-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Methoxy-1-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]indol-2-one",NA,"CN1C2=C(C=C(C=C2)OC)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C1=O","GCCAMHHZFKNLMB-NVNXTCNLSA-N",60147488,NA,"PDBC05029","747148","Present",NA,NA
+"5030","(3Z)-5-Methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Methoxy-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,"COC1=CC2=C(C=C1)NC(=O)C2=CC3=CC(=C(C(=C3)OC)OC)OC","WAFGRZZHFYLTPQ-AUWJEWJLSA-N",6279389,NA,"PDBC05030","134544","Present",NA,NA
+"5031","(3Z)-5-Methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Methoxy-3-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylidene]-1H-indol-2-one",NA,"CC1=CC=C(C=C1)C2=C(N3C=C(SC3=N2)C)C=C4C5=C(C=CC(=C5)OC)NC4=O","ZQIPXXOEAXPMOU-WQRHYEAKSA-N",24205833,NA,"PDBC05031","736815","Present",NA,NA
+"5032","(3Z)-5-Methoxy-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-methoxy-3-((3-(4-methoxyphenyl)-1H-pyrazol-5-yl)me...",NA,"COC1=CC=C(C=C1)C2=NNC(=C2)C=C3C4=C(C=CC(=C4)OC)NC3=O","SQMNHDOHVIIMLZ-MFOYZWKCSA-N",136961556,NA,"PDBC05032","774959","Present",NA,NA
+"5033","(3Z)-5-Methoxy-6-methyl-3-(pyridin-4-ylmethylidene)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Methoxy-6-methyl-3-(pyridin-4-ylmethylidene)-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=CC=NC=C3)C(=O)N2","XVJODMGGMORWQA-JYRVWZFOSA-N",5473149,NA,"PDBC05033","724276","Present",NA,NA
+"5034","(3Z)-5-Methoxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Methoxy-6-methyl-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)N2","VFFOLIHLLNDWCY-AUWJEWJLSA-N",24205824,NA,"PDBC05034","736806","Present",NA,NA
+"5035","(3Z)-5-Methoxy-6-methyl-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Methoxy-6-methyl-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N2","FYRVKNLWNGYEOP-MOSHPQCFSA-N",24206021,NA,"PDBC05035","737706","Present",NA,NA
+"5036","(3Z)-5-Methoxy-6-methyl-3-[(4-phenoxyphenyl)methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-5-Methoxy-6-methyl-3-[(4-phenoxyphenyl)methylidene]-1H-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N2","GELLHARTFNWRHV-MOSHPQCFSA-N",24206022,NA,"PDBC05036","737707","Present",NA,NA
+"5037","(3Z)-6-Bromo-2-chloro-3-(chloromethylidene)-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6-Bromo-2-chloro-3-(chloromethylidene)-7-methyloct-1-ene",NA,"CC(C)C(CCC(=CCl)C(=C)Cl)Br","PMNYCTFAYIBDCL-TWGQIWQCSA-N",5468472,NA,"PDBC05037","670795","Present",NA,NA
+"5038","(3Z)-6-Chloro-3-[(4-hydroxyphenyl)methylidene]thiochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6-Chloro-3-[(4-hydroxyphenyl)methylidene]thiochromen-4-one",NA,"C1C(=CC2=CC=C(C=C2)O)C(=O)C3=C(S1)C=CC(=C3)Cl","AHUGIMRREOKQIL-YRNVUSSQSA-N",25676884,NA,"PDBC05038","747168","Present",NA,NA
+"5039","(3Z)-6-Chloro-3-[[3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-chloro-3-((3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=C3C4=C(C=C(C=C4)Cl)NC3=O","MPLUMBRBQZTMJL-DHDCSXOGSA-N",136961565,NA,"PDBC05039","774975","Present",NA,NA
+"5040","(3Z)-6-Chloro-3-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methylidene]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-chloro-3-((3-(4-methoxyphenyl)-1H-pyrazol-5-yl)met...",NA,"COC1=CC=C(C=C1)C2=NNC(=C2)C=C3C4=C(C=C(C=C4)Cl)NC3=O","SMOZMGWLNJZMEF-SXGWCWSVSA-N",136961555,NA,"PDBC05040","774958","Present",NA,NA
+"5041","(3Z)-6-Chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6-Chloro-3-[[3-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one",NA,"C1C(=CC2=CC(=CC=C2)OCC(=O)C3=CC=C(C=C3)Cl)C(=O)C4=C(S1)C=CC(=C4)Cl","SUZWDLZOBXAFAO-LICLKQGHSA-N",45028843,NA,"PDBC05041","744624","Present",NA,NA
+"5042","(3Z)-6-Chloro-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6-Chloro-3-[[3-[2-(4-methoxyphenyl)-2-oxoethoxy]phenyl]methylidene]thiochromen-4-one",NA,"COC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)C=C3CSC4=C(C3=O)C=C(C=C4)Cl","CPRVCSKKNMOCNP-WOJGMQOQSA-N",45028842,NA,"PDBC05042","744623","Present",NA,NA
+"5043","(3Z)-6-Methyl-3-[(2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6-Methyl-3-[(2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione",NA,"CC1=CC(=O)C(=CN2C3=CC=CC=C3NC2=S)C(=O)O1","ZDELOKFYGRWDIL-CLFYSBASSA-N",3004499,NA,"PDBC05043","657609","Present",NA,NA
+"5044","(3Z)-6-Methyl-3-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6-Methyl-3-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione",NA,"CC1=CC2=C(C=C1)N(C(=S)N2)C=C3C(=O)C=C(OC3=O)C","IAXHKLOGGUEKHW-YFHOEESVSA-N",3004473,NA,"PDBC05044","657455","Present",NA,NA
+"5045","(3Z)-6-Methyl-3-[(5-oxo-2-thioxo-imidazolidin-1-yl)methylene]pyran-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6-Methyl-3-[(5-oxo-2-thioxo-imidazolidin-1-yl)methylene]pyran-2,4-dione",NA,"CC1=CC(=O)C(=CN2C(=O)CNC2=S)C(=O)O1","RYGVFJQMSITXMC-XQRVVYSFSA-N",3004489,NA,"PDBC05045","657583","Present",NA,NA
+"5046","(3Z)-6-Methyl-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6-Methyl-3-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]pyran-2,4-dione",NA,"CC1=CC(=O)C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C(=O)O1","XDEVNFBVDHJJMS-TWGQIWQCSA-N",3001572,NA,"PDBC05046","657580","Present",NA,NA
+"5047","(3Z)-6-Methyl-3-[[[4-(3-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6-Methyl-3-[[[4-(3-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione",NA,"CC1=CC(=C(C(=O)O1)C=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])O","TYWOWIVIKNANEL-REZTVBANSA-N",135409097,NA,"PDBC05047","657715","Present",NA,NA
+"5048","(3Z)-6-Methyl-3-[[[4-(4-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6-Methyl-3-[[[4-(4-nitrophenyl)thiazol-2-yl]amino]methylene]pyran-2,4-dione",NA,"CC1=CC(=C(C(=O)O1)C=NC2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])O","FPFDCVYBPSAVGI-REZTVBANSA-N",135409082,NA,"PDBC05048","657601","Present",NA,NA
+"5049","(3Z,10E)-3,10-Dibenzylidenecyclodecane-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,10E)-3,10-Dibenzylidenecyclodecane-1,2-dione",NA,"C1CCCC(=CC2=CC=CC=C2)C(=O)C(=O)C(=CC3=CC=CC=C3)CC1","GPQZWIGTGCTQJK-QGFZOGOGSA-N",6392319,NA,"PDBC05049","100267","Present",NA,NA
+"5050","(3Z,4As,4bR,8S,10aR,10bS,12aS)-3-benzylidene-8-hydroxy-10a,12a-dimethyl-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,4As,4bR,8S,10aR,10bS,12aS)-3-benzylidene-8-hydroxy-10a,12a-dimethyl-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-2-one",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=CC=C5)C(=O)N4)C)O","RHDVSNUYCJRBKY-AJFKJGJJSA-N",5470427,NA,"PDBC05050","701572","Present",NA,NA
+"5051","(3Z,4E)-3-[(4-Chlorophenyl)hydrazono]-4-(p-tolylimino)pentan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,4E)-3-[(4-Chlorophenyl)hydrazono]-4-(p-tolylimino)pentan-2-one",NA,"CC1=CC=C(C=C1)N=C(C)C(=NNC2=CC=C(C=C2)Cl)C(=O)C","BDUQGXQYUZUWHE-ISYOXGDOSA-N",9571619,NA,"PDBC05051","690406","Present",NA,NA
+"5052","(3Z,4Z)-3,4-Bis(1,3-benzodioxol-5-ylmethylene)tetrahydrofuran-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans, trans-.alpha.,.alpha.'-Dipiperonylidene succinic ...",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=CC4=CC5=C(C=C4)OCO5)C(=O)OC3=O","WLQGATXUBPNDGZ-GFIWHYBVSA-N",5387806,NA,"PDBC05052","627591","Present",NA,NA
+"5053","(3Z,5E)-1-Benzoyl-3,5-dibenzylidenepiperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766246",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C4=CC=CC=C4","OZHYSMNFNCQACV-JVBWRSBESA-N",69055994,NA,"PDBC05053","766246","Present",NA,NA
+"5054","(3Z,5Z)-1,1-Dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,5Z)-1,1-Dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one;iodide",NA,"C[N+]1(CC(=CC2=CC=C(C=C2)SC)C(=O)C(=CC3=CC=C(C=C3)SC)C1)C.[I-]","MQLRWPDIJRQUCM-RPQATXMZSA-M",54601651,NA,"PDBC05054","634793","Present",NA,NA
+"5055","(3Z,5Z)-3,5-Bis[(4-fluorophenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,5Z)-3,5-Bis[(4-fluorophenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide",NA,"C[N+]1(CC(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)C1)C.[I-]","SBBYZDYSUGGIRJ-YIQLKAPXSA-M",54608810,NA,"PDBC05055","634794","Present",NA,NA
+"5056","(3Z,5Z)-3,5-Bis[(4-methoxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,5Z)-3,5-Bis[(4-methoxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide",NA,"C[N+]1(CC(=CC2=CC=C(C=C2)OC)C(=O)C(=CC3=CC=C(C=C3)OC)C1)C.[I-]","OVOCUYYSNQBYJR-RPQATXMZSA-M",54608638,NA,"PDBC05056","634792","Present",NA,NA
+"5057","(3Z,5Z)-3,5-Bis[[4-(diethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,5Z)-3,5-Bis[[4-(diethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one;iodide",NA,"CCN(CC)C1=CC=C(C=C1)C=C2C[N+](CC(=CC3=CC=C(C=C3)N(CC)CC)C2=O)(C)C.[I-]","ZNCMAKURCNUNLQ-BJIYWVBBSA-M",54602033,NA,"PDBC05057","634791","Present",NA,NA
+"5058","(3Z,6Z)-3,6-Bis[2-(4-chlorophenyl)-2-oxoethylidene]-1,4-dioxane-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,6Z)-3,6-Bis[2-(4-chlorophenyl)-2-oxoethylidene]-1,4-dioxane-2,5-dione",NA,"C1=CC(=CC=C1C(=O)C=C2C(=O)OC(=CC(=O)C3=CC=C(C=C3)Cl)C(=O)O2)Cl","ZKWDEBZVPWCXGR-XFQWXJFMSA-N",5472613,NA,"PDBC05058","720437","Present",NA,NA
+"5059","(3Z,7Z,11Z,15Z)-1,2,5,6,9,10,13,14-Octathiacyclohexadeca-3,7,11,15-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,7Z,11Z,15Z)-1,2,5,6,9,10,13,14-Octathiacyclohexadeca-3,7,11,15-tetraene",NA,"C1=CSSC=CSSC=CSSC=CSS1","ZOQNXVFZKNWMJV-JCJVRDIZSA-N",5470146,NA,"PDBC05059","698127","Present",NA,NA
+"5060","(3beta,16alpha)-N-[2-(1H-Indol-3-yl)ethyl]-19-oxo-14,15-dihydro-1,14-secoeburnamenine-14-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(1R,12Br)-1-ethyl-4-oxo-2,3,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide",NA,"CCC1(CCC(=O)N2C1C3=C(CC2)C4=CC=CC=C4N3)CCC(=O)NCCC5=CNC6=CC=CC=C65","FBMYCCPNTWRVBS-XZWHSSHBSA-N",396464,NA,"PDBC05060","702438","Present",NA,NA
+"5061","(3z)-1,7,7-Trimethyl-3-(4-nitrophenyl)imino-norbornan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3z)-1,7,7-Trimethyl-3-(4-nitrophenyl)imino-norbornan-2-one",NA,"CC1(C2CCC1(C(=O)C2=NC3=CC=C(C=C3)[N+](=O)[O-])C)C","IPFAPLVSONQKFJ-UHFFFAOYSA-N",395320,NA,"PDBC05061","699802","Present",NA,NA
+"5062","(3|A)-Cholest-5-en-3-ylpropanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C(C(=O)O)C(=O)O)C)C","JIEJBESLFFLEPM-TVABIKMWSA-N",236524,NA,"PDBC05062","39088","Present",NA,NA
+"5063","(4'S,8'R,12'S)-4'-(3,4-Dimethoxyphenyl)-5,5-dimethylspiro[1,3-dioxane-2,7'-10-oxa-1-azatricyclo[6.3.1.04,12]dodecane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4'S,8'R,12'S)-4'-(3,4-Dimethoxyphenyl)-5,5-dimethylspiro[1,3-dioxane-2,7'-10-oxa-1-azatricyclo[6.3.1.04,12]dodecane]",NA,"CC1(COC2(CCC3(CCN4C3C2COC4)C5=CC(=C(C=C5)OC)OC)OC1)C","ACUASSCPKHSBCV-XJABCFGWSA-N",6712560,NA,"PDBC05063","697396","Present",NA,NA
+"5064","(4(R)-(-)-Ipomeanol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4(r)-(-)-ipomeanol)",NA,"CC(CCC(=O)C1=COC=C1)O","RJYQLMILDVERHH-SSDOTTSWSA-N",6711830,NA,"PDBC05064","644433","Present",NA,NA
+"5065","(4(S)-(+)-Ipomeanol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4(s)-(+)-ipomeanol)",NA,"CC(CCC(=O)C1=COC=C1)O","RJYQLMILDVERHH-ZETCQYMHSA-N",6711829,NA,"PDBC05065","644432","Present",NA,NA
+"5066","(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2,2-diphenylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2,2-diphenylacetate",NA,"CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5)C","MOXSXHMCWBNCEC-UHFFFAOYSA-N",359628,NA,"PDBC05066","620687","Present",NA,NA
+"5067","(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2-diazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 2-diazoacetate",NA,"CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=O)C=[N+]=[N-])C","UVTZNVOXSRSBJE-UHFFFAOYSA-N",386730,NA,"PDBC05067","679277","Present",NA,NA
+"5068","(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 4-cyanobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)methyl 4-cyanobenzoate",NA,"CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)COC(=O)C4=CC=C(C=C4)C#N)C","IXAVJDXHMNFNMR-UHFFFAOYSA-N",390949,NA,"PDBC05068","689202","Present",NA,NA
+"5069","(4,4-Dimethyl-2,6-dioxo-cyclohexylidene)methylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4,4-Dimethyl-2,6-dioxo-cyclohexylidene)methylthiourea",NA,"CC1(CC(=C(C(=O)C1)C=NC(=S)N)O)C","SEIUOCBMCTWJFK-LFYBBSHMSA-N",135409053,NA,"PDBC05069","657428","Present",NA,NA
+"5070","(4,4-Dimethyl-2-oxo-1-phenylpyrrolidin-3-yl) (1R,2S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4,4-Dimethyl-2-oxo-1-phenylpyrrolidin-3-yl) (1R,2S,4R)-2-methylbicyclo[2.2.1]hept-5-ene-2-carboxylate",NA,"CC1(CN(C(=O)C1OC(=O)C2(CC3CC2C=C3)C)C4=CC=CC=C4)C","LTORIIULGWJLFO-PPVIIGLKSA-N",404136,NA,"PDBC05070","720260","Present",NA,NA
+"5071","(4,4-Diphenyl-2-phenylsulfanyl-5-thioxo-imidazol-1-yl) 3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4,4-Diphenyl-2-phenylsulfanyl-5-thioxo-imidazol-1-yl) 3-phenylpropanoate",NA,"C1=CC=C(C=C1)CCC(=O)ON2C(=S)C(N=C2SC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5","RCEQRSICVSCQTF-UHFFFAOYSA-N",389392,NA,"PDBC05071","685458","Present",NA,NA
+"5072","(4,5-Dihydro-1H-imidazol-2-ylamino) hydrogen sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4,5-Dihydro-1H-imidazol-2-ylamino) hydrogen sulfate",NA,"C1CN=C(N1)NOS(=O)(=O)O","BVBZGVMLYKQBKO-UHFFFAOYSA-N",10965136,NA,"PDBC05072","725855","Present",NA,NA
+"5073","(4,5-Dihydroxy-6-methoxy-2,4-dimethyloxan-3-yl) 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4,5-Dihydroxy-6-methoxy-2,4-dimethyloxan-3-yl) 2,2-dimethylpropanoate",NA,"CC1C(C(C(C(O1)OC)O)(C)O)OC(=O)C(C)(C)C","LZAMUWMXRHSIEL-UHFFFAOYSA-N",359620,NA,"PDBC05073","620679","Present",NA,NA
+"5074","(4,7-Diacetyloxy-5-methoxynaphthalen-1-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4,7-Diacetyloxy-5-methoxynaphthalen-1-yl) acetate",NA,"CC(=O)OC1=C2C=C(C=C(C2=C(C=C1)OC(=O)C)OC)OC(=O)C","SGPSIWQGVAAPDH-UHFFFAOYSA-N",359533,NA,"PDBC05074","620516","Present",NA,NA
+"5075","(4,7-Dioxo-1H-benzimidazol-2-yl)methyl N-phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, phenyl-, (4,7-dihydro-4,7-dioxo-1H-benzim...",NA,"C1=CC=C(C=C1)NC(=O)OCC2=NC3=C(N2)C(=O)C=CC3=O","ISLJYPPXVQBTQP-UHFFFAOYSA-N",367178,NA,"PDBC05075","636673","Present",NA,NA
+"5076","(4,8-Dioxo-4,8-dihydrobenzo[1,2-b:5,4-b']bisthiophen-2-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, (4,8-dioxobenzo[1,2-b:5,4-b']dithiophene- 2...",NA,"CC(=O)OCC1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3","XMLWMBFZLBAVFQ-UHFFFAOYSA-N",375904,NA,"PDBC05076","656241","Present",NA,NA
+"5077","(4,8-Dioxo-6,7-dihydro-1H-cyclopenta[g]quinazolin-2-yl)methyl 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethylpropionyloxymethyl)-3,4,7,8-tetrahydro-6H...",NA,"CC(C)(C)C(=O)OCC1=NC2=C(C=C3CCC(=O)C3=C2)C(=O)N1","VHFUHJPRYHXKIE-UHFFFAOYSA-N",136180639,NA,"PDBC05077","764822","Present",NA,NA
+"5078","(4-(((Isopropylamino)carbonyl)oxy)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-yl)methyl isopropylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Isopropylcarbamoyloxymethyl)-4-isopropylcarbamoyloxy-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazole",NA,"CC(C)NC(=O)OCC1=C2C(CCN2N=N1)OC(=O)NC(C)C","TVQBSBYQRKAQRR-UHFFFAOYSA-N",362188,NA,"PDBC05078","625779","Present",NA,NA
+"5079","(4-(((Phenoxycarbonyl)oxy)methyl)-1,3-diphenyl-1H-pyrazol-5-yl)methyl phenyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(((Phenoxycarbonyl)oxy)methyl)-1,3-diphenyl-1H-pyrazol-5-yl)methyl phenyl carbonate",NA,"C1=CC=C(C=C1)C2=NN(C(=C2COC(=O)OC3=CC=CC=C3)COC(=O)OC4=CC=CC=C4)C5=CC=CC=C5","GZCZVCVMPFWDOQ-UHFFFAOYSA-N",383138,NA,"PDBC05079","671179","Present",NA,NA
+"5080","(4-((10-(4-(4-Chlorobenzoyl)phenoxy)decyl)oxy)phenyl)(4-chlorophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[10-[4-(4-Chlorobenzoyl)phenoxy]decoxy]phenyl]-(4-chlorophenyl)methanone",NA,"C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OCCCCCCCCCCOC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl","KRZBWRVTFMQQLA-UHFFFAOYSA-N",371309,NA,"PDBC05080","645383","Present",NA,NA
+"5081","(4-((10-(4-(Cyano(propylamino)methyl)phenoxy)decyl)oxy)phenyl)(propylamino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-((10-(4-(Cyano(propylamino)methyl)phenoxy)decyl)oxy)phenyl)(propylamino)acetonitrile",NA,"CCCNC(C#N)C1=CC=C(C=C1)OCCCCCCCCCCOC2=CC=C(C=C2)C(C#N)NCCC","VXOXDRKMRRAAPN-UHFFFAOYSA-N",384260,NA,"PDBC05081","673806","Present",NA,NA
+"5082","(4-((Benzylsulfinyl)methyl)phenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Benzylsulfinyl)methyl]-4-nitrobenzene",NA,"C1=CC=C(C=C1)CS(=O)CC2=CC=C(C=C2)[N+](=O)[O-]","QXCMIJOWNYUJSB-UHFFFAOYSA-N",275689,NA,"PDBC05082","122662","Present",NA,NA
+"5083","(4-((Cyanothio)ethynyl)phenyl)ethynyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-((Cyanothio)ethynyl)phenyl)ethynyl thiocyanate",NA,"C1=CC(=CC=C1C#CSC#N)C#CSC#N","VDOQRCDRHHOLPJ-UHFFFAOYSA-N",382244,NA,"PDBC05083","669699","Present",NA,NA
+"5084","(4-((Phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-((Phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetic acid",NA,"C1=CC=C(C=C1)CC(=O)NN2C=NN(C2=S)CC(=O)O","ATXLYFAXDVDPGQ-UHFFFAOYSA-N",378426,NA,"PDBC05084","660845","Present",NA,NA
+"5085","(4-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-2-oxotetrahydro-3-furanyl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-2-oxotetrahydro-3-furanyl)methyl acetate",NA,"CC(=O)OCC1C(COC1=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2","CYNXEFBQUHGDIH-UHFFFAOYSA-N",283490,NA,"PDBC05085","138333","Present",NA,NA
+"5086","(4-(2-(4-Anilinophenoxy)ethoxy)phenyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(2-(4-Anilinophenoxy)ethoxy)phenyl)(phenyl)methanone",NA,"C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OCCOC3=CC=C(C=C3)NC4=CC=CC=C4","GOQMAVNCFPLIOZ-UHFFFAOYSA-N",371171,NA,"PDBC05086","645172","Present",NA,NA
+"5087","(4-(2-Amino-6-hydroxy-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(2-Amino-6-hydroxy-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate",NA,"C1C(C=CC1N2C=NC3=C2N=C(NC3=O)N)COS(=O)(=O)N","VOTHKJDIPGWYEK-UHFFFAOYSA-N",135409195,NA,"PDBC05087","664888","Present",NA,NA
+"5088","(4-(3,4-Dichlorophenyl)-2-(2-naphthyl)-2,3-dihydro-1H-1,5-benzodiazepin-7-yl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(3,4-Dichlorophenyl)-2-(2-naphthyl)-2,3-dihydro-1H-1,5-benzodiazepin-7-yl)(phenyl)methanone",NA,"C1C(NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)N=C1C4=CC(=C(C=C4)Cl)Cl)C5=CC6=CC=CC=C6C=C5","ZSFVSIQPWRXJSO-UHFFFAOYSA-N",369431,NA,"PDBC05088","641201","Present",NA,NA
+"5089","(4-(3-(3,4-Dimethoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(3-(3,4-Dimethoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC#N)OC","PRPWDUWRKBHKDB-WEVVVXLNSA-N",5467695,NA,"PDBC05089","657878","Present",NA,NA
+"5090","(4-(3-(4-(4-Chlorobenzoyl)phenoxy)propoxy)phenyl)(4-chlorophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(3-(4-(4-Chlorobenzoyl)phenoxy)propoxy)phenyl)(4-chlorophenyl)methanone",NA,"C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OCCCOC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl","YVJYPOCORMXKLX-UHFFFAOYSA-N",373057,NA,"PDBC05090","648889","Present",NA,NA
+"5091","(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)OCC#N","IDORDBUWCGDCTR-XCVCLJGOSA-N",5467693,NA,"PDBC05091","657876","Present",NA,NA
+"5092","(4-(3-(4-Methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(3-(4-Methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetic acid",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC(=O)O","QAPTYDCXRZEIMB-NYYWCZLTSA-N",5469051,NA,"PDBC05092","682092","Present",NA,NA
+"5093","(4-(3-(4-Methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(3-(4-Methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetonitrile",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC#N","XIKUMSVXUDISJH-NYYWCZLTSA-N",5467694,NA,"PDBC05093","657877","Present",NA,NA
+"5094","(4-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)-2-cyclopenten-1-yl)methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)-2-cyclopenten-1-yl)methylphosphonic acid",NA,"C1C(C=CC1N2C=NC(=C2N)C(=O)N)CP(=O)(O)O","SREADRHIUHVXGY-UHFFFAOYSA-N",379787,NA,"PDBC05094","664879","Present",NA,NA
+"5095","(4-(6-(Dimethylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(6-(Dimethylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate",NA,"CN(C)C1=NC=NC2=C1N=CN2C3CC(C=C3)COS(=O)(=O)N","IHZVHKIWWBCJDJ-UHFFFAOYSA-N",379795,NA,"PDBC05095","664887","Present",NA,NA
+"5096","(4-(6-(Methylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(6-(Methylamino)-9H-purin-9-yl)-2-cyclopenten-1-yl)methyl sulfamate",NA,"CNC1=C2C(=NC=N1)N(C=N2)C3CC(C=C3)COS(=O)(=O)N","SCNCCIPFHLYYBM-UHFFFAOYSA-N",379794,NA,"PDBC05096","664886","Present",NA,NA
+"5097","(4-(6-Amino-9H-purin-9-yl)-2-cyclopenten-1-yl)methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(6-Amino-9H-purin-9-yl)-2-cyclopenten-1-yl)methylphosphonic acid",NA,"C1C(C=CC1N2C=NC3=C(N=CN=C32)N)CP(=O)(O)O","FCWOEAIQZZRERF-UHFFFAOYSA-N",379789,NA,"PDBC05097","664881","Present",NA,NA
+"5098","(4-(7-Amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2-cyclopenten-1-yl)methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(7-Amino-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl)-2-cyclopenten-1-yl)methylphosphonic acid",NA,"C1C(C=CC1N2C3=NC=NC(=C3N=N2)N)CP(=O)(O)O","HLAPDMCSRSNPQS-UHFFFAOYSA-N",379791,NA,"PDBC05098","664883","Present",NA,NA
+"5099","(4-(Acetyloxy)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(Acetyloxy)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-yl)methyl acetate",NA,"CC(=O)OCC1=C2C(CCN2N=N1)OC(=O)C","KVLUVSJVKPRQIV-UHFFFAOYSA-N",362189,NA,"PDBC05099","625780","Present",NA,NA
+"5100","(4-(Benzoylamino)phenyl)sulfonyl(3-(butylamino)-3-oxopropyl)carbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(Benzoylamino)phenyl)sulfonyl(3-(butylamino)-3-oxopropyl)carbamic acid",NA,"CCCCNC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","ZKCZFOZTBVMJQA-UHFFFAOYSA-N",369699,NA,"PDBC05100","641716","Present",NA,NA
+"5101","(4-(Benzoylamino)phenyl)sulfonyl(3-(cyclohexylamino)-3-oxopropyl)carbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(Benzoylamino)phenyl)sulfonyl(3-(cyclohexylamino)-3-oxopropyl)carbamic acid",NA,"C1CCC(CC1)NC(=O)CCN(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3","MLROYCPTKWARHV-UHFFFAOYSA-N",369701,NA,"PDBC05101","641718","Present",NA,NA
+"5102","(4-(Benzoylamino)phenyl)sulfonyl(3-(ethylamino)-3-oxopropyl)carbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(Benzoylamino)phenyl)sulfonyl(3-(ethylamino)-3-oxopropyl)carbamic acid",NA,"CCNC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","XCGFEWCNYUXBSN-UHFFFAOYSA-N",369697,NA,"PDBC05102","641714","Present",NA,NA
+"5103","(4-(Benzoylamino)phenyl)sulfonyl(3-(hexylamino)-3-oxopropyl)carbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(Benzoylamino)phenyl)sulfonyl(3-(hexylamino)-3-oxopropyl)carbamic acid",NA,"CCCCCCNC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","FXYLHVOJWYXULB-UHFFFAOYSA-N",369700,NA,"PDBC05103","641717","Present",NA,NA
+"5104","(4-(Benzoylamino)phenyl)sulfonyl(3-(isopropylamino)-3-oxopropyl)carbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(Benzoylamino)phenyl)sulfonyl(3-(isopropylamino)-3-oxopropyl)carbamic acid",NA,"CC(C)NC(=O)CCN(C(=O)O)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2","LFPXNUQWNVOCGG-UHFFFAOYSA-N",369698,NA,"PDBC05104","641715","Present",NA,NA
+"5105","(4-(Dimethylamino)phenyl)(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(Dimethylamino)phenyl)(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile",NA,"CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=C(C=C2)N(C)C","QAYYSXWQFPEBMD-UHFFFAOYSA-N",135409029,NA,"PDBC05105","653838","Present",NA,NA
+"5106","(4-(Hexadecylsulphonyl)phenyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazine, [4-(hexadecylsulfonyl)phenyl]-",NA,"CCCCCCCCCCCCCCCCS(=O)(=O)C1=CC=C(C=C1)NN","CQXBNGQFWUTDKW-UHFFFAOYSA-N",74121,NA,"PDBC05106","165839","Present",NA,NA
+"5107","(4-Acetamidophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Acetamidophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,"CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)NC(=O)C","ISFCOLWZYBBINM-UHFFFAOYSA-N",394910,NA,"PDBC05107","699003","Present",NA,NA
+"5108","(4-Acetoxycuban-1-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Acetoxycuban-1-yl) acetate",NA,"CC(=O)OC12C3C4C1C5C2C3C45OC(=O)C","LGAGKIUQEAZNQB-UHFFFAOYSA-N",390369,NA,"PDBC05108","687708","Present",NA,NA
+"5109","(4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)acetaldehyde",NA,"CC(=O)C1=C(C=CC2=C1CC(O2)CC=O)O","IOCACIKXLSCBKU-UHFFFAOYSA-N",371694,NA,"PDBC05109","646144","Present",NA,NA
+"5110","(4-Acetyloxy-2-methylidene-4-phenylbutyl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Acetyloxy-2-methylidene-4-phenylbutyl) acetate",NA,"CC(=O)OCC(=C)CC(C1=CC=CC=C1)OC(=O)C","NCIXIPOTMJVRED-UHFFFAOYSA-N",359267,NA,"PDBC05110","619983","Present",NA,NA
+"5111","(4-Acetyloxy-5-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Acetyloxy-5-methoxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate",NA,"CC(=O)OC1=C2CCCC(C2=C(C=C1)OC(=O)C)OC","KHOYRLVBUFNABG-UHFFFAOYSA-N",358365,NA,"PDBC05111","618331","Present",NA,NA
+"5112","(4-Amino-2-anilino-1,3-thiazol-5-yl)-(furan-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Amino-2-anilino-thiazol-5-yl)-(2-furyl)methanone",NA,"C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CO3)N","BFLLBNJYGICWQI-UHFFFAOYSA-N",399013,NA,"PDBC05112","709434","Present",NA,NA
+"5113","(4-Amino-2-anilino-1,3-thiazol-5-yl)-thiophen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Amino-2-anilino-thiazol-5-yl)-(2-thienyl)methanone",NA,"C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CS3)N","XPKVIZDAFGYGOY-UHFFFAOYSA-N",399012,NA,"PDBC05113","709433","Present",NA,NA
+"5114","(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl) 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C4=CC=CC=C4)C5=CC=CC=C5","SIMLLKKCRICXKI-UHFFFAOYSA-N",393968,NA,"PDBC05114","697040","Present",NA,NA
+"5115","(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl) benzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6,7-dimethyl-1,3-dioxo-2-((phenylsulfonyl)oxy)-5-isoindolinecarbonitrile",NA,"CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)OS(=O)(=O)C3=CC=CC=C3)C","NDSQVXLQJGMRKS-UHFFFAOYSA-N",393962,NA,"PDBC05115","697034","Present",NA,NA
+"5116","(4-Aminocinnolin-3-yl)(2,4,6-trimethylphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Aminocinnolin-3-yl)-(2,4,6-trimethylphenyl)methanone",NA,"CC1=CC(=C(C(=C1)C)C(=O)C2=C(C3=CC=CC=C3N=N2)N)C","GHAIJBAYMRDUQP-UHFFFAOYSA-N",395936,NA,"PDBC05116","701031","Present",NA,NA
+"5117","(4-Aminocinnolin-3-yl)-phenyl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Aminocinnolin-3-yl)-phenyl-methanone",NA,"C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC=C3N=N2)N","LXBJYSXWAMBHKG-UHFFFAOYSA-N",395918,NA,"PDBC05117","701013","Present",NA,NA
+"5118","(4-Aminonaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Amino-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone",NA,"C1COCCN1CCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=C(C5=CC=CC=C54)N","IPGFNABSBIRAJE-UHFFFAOYSA-N",398651,NA,"PDBC05118","708810","Present",NA,NA
+"5119","(4-Aminonaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Amino-1-naphthyl)-[2-methyl-1-(2-morpholinoethyl)indol-3-yl]methanone hydrochloride",NA,"CC1=C(C2=CC=CC=C2N1CCN3CCOCC3)C(=O)C4=CC=C(C5=CC=CC=C54)N.Cl","SWGYFLOWHQOMTM-UHFFFAOYSA-N",398704,NA,"PDBC05119","708849","Present",NA,NA
+"5120","(4-Aminophenyl)-(6-methyl-1,3-benzodioxol-5-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Aminophenyl)(6-methyl-1,3-benzodioxol-5-yl)methanone",NA,"CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)N)OCO2","UCDCYHQIRLHNBE-UHFFFAOYSA-N",404671,NA,"PDBC05120","721095","Present",NA,NA
+"5121","(4-Aminophenyl)-N-(4-oxo-2-phenyl(3-hydroquinazolin-3-yl))carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)N","JQXRTUBLYBFPGF-UHFFFAOYSA-N",376417,NA,"PDBC05121","657331","Present",NA,NA
+"5122","(4-Aminophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Aminophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,"CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)N","JJRMLQGZHYPBNG-UHFFFAOYSA-N",394911,NA,"PDBC05122","699004","Present",NA,NA
+"5123","(4-Azidophenyl)arsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-84460",NA,"C1=CC(=CC=C1N=[N+]=[N-])[As](=O)(O)O","ABBAHMOUCAIMOQ-UHFFFAOYSA-N",3246304,NA,"PDBC05123","84460","Present",NA,NA
+"5124","(4-Benzoyl-1,2,5-triphenylpyrrolidin-3-yl)-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Benzoyl-1,2,5-triphenylpyrrolidin-3-yl)-phenylmethanone",NA,"C1=CC=C(C=C1)C2C(C(C(N2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6","NYGBDPCHPYMGDG-UHFFFAOYSA-N",266393,NA,"PDBC05124","103870","Present",NA,NA
+"5125","(4-Benzoyl-3-hydroxyphenyl) 2-ethylhexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzoyl-3-hydroxyphenyl 2-ethylhexanoate",NA,"CCCCC(CC)C(=O)OC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O","ZCVNWLRGTCLNIG-UHFFFAOYSA-N",256608,NA,"PDBC05125","83606","Present",NA,NA
+"5126","(4-Benzoyl-7-methyl-8-oxo-5a,6,6a,9,10,10a-hexahydro-5H-indolo[4,3-fg]quinolin-9-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Benzoyl-7-methyl-8-oxo-5a,6,6a,9,10,10a-hexahydro-5H-indolo[4,3-fg]quinolin-9-yl) acetate",NA,"CC(=O)OC1CC2C(CC3CN(C4=CC=CC2=C34)C(=O)C5=CC=CC=C5)N(C1=O)C","DWKHFQPGKAKRKT-UHFFFAOYSA-N",397480,NA,"PDBC05126","705338","Present",NA,NA
+"5127","(4-Benzyl-1-methyl-2-piperazinyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Benzyl-1-methyl-2-piperazinyl)acetonitrile",NA,"CN1CCN(CC1CC#N)CC2=CC=CC=C2","FDLKZNBTKBWWPL-UHFFFAOYSA-N",376890,NA,"PDBC05127","658026","Present",NA,NA
+"5128","(4-Benzylpiperazin-1-yl)-(1H-indol-3-yl)methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Benzylpiperazin-1-yl)-(1H-indol-3-yl)methanethione",NA,"C1CN(CCN1CC2=CC=CC=C2)C(=S)C3=CNC4=CC=CC=C43","DZMQNQOWUUXICT-UHFFFAOYSA-N",391443,NA,"PDBC05128","690647","Present",NA,NA
+"5129","(4-Bromo-2-butenyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646428",NA,"C1=CC=C(C=C1)[P+](CC=CCBr)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","XJFIFZYWUOWAPZ-ASTDGNLGSA-M",5705621,NA,"PDBC05129","646428","Present",NA,NA
+"5130","(4-Bromophenyl)-(1-methylpiperidin-4-yl)-phenylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Bromophenyl)(1-methylpiperidin-4-yl)phenylmethanol",NA,"CN1CCC(CC1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Br)O","LQVHOPLMWCXWKV-UHFFFAOYSA-N",402102,NA,"PDBC05130","715823","Present",NA,NA
+"5131","(4-Bromophenyl)-cyclopropyl-thiophen-2-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Bromophenyl)(cyclopropyl)thiophen-2-ylmethanol",NA,"C1CC1C(C2=CC=C(C=C2)Br)(C3=CC=CS3)O","FYNBPTDOFQAGEI-UHFFFAOYSA-N",285502,NA,"PDBC05131","142487","Present",NA,NA
+"5132","(4-Chloro-3-(isopropoxyimino-methyl)-phenyl)-thiocarbamic acid, O-isopropyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamothioic acid, 4-chloro-3-[(1-methylethoxy) iminome...",NA,"CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)C=NOC(C)C","PAALNFGWMCOSOL-LZYBPNLTSA-N",5351400,NA,"PDBC05132","645727","Present",NA,NA
+"5133","(4-Chloro-benzoyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chloro-benzoyl)-phenyl-thiocarbamic acid O-(2-phenoxy-ethyl) ester",NA,"C1=CC=C(C=C1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)OCCOC3=CC=CC=C3","WQZSVPCGCSOLCL-UHFFFAOYSA-N",396760,NA,"PDBC05133","703470","Present",NA,NA
+"5134","(4-Chlorobenzo[c][2,7]naphthyridin-5-yl)-(2-chloropyridin-3-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorobenzo[c][2,7]naphthyridin-5-yl)(2-chloropyridin-3-yl)methanol",NA,"C1=CC=C2C(=C1)C3=C(C(=N2)C(C4=C(N=CC=C4)Cl)O)C(=NC=C3)Cl","ZGYVIEJKFBVLEH-UHFFFAOYSA-N",403411,NA,"PDBC05134","718212","Present",NA,NA
+"5135","(4-Chloronaphthalen-1-yl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chloronaphthalen-1-yl)methyl carbamimidothioate;3,4,6-trichloro-2-nitrophenol",NA,"C1=CC=C2C(=C1)C(=CC=C2Cl)CSC(=N)N.C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])O)Cl","LCAYIZOENCAEGI-UHFFFAOYSA-N",248380,NA,"PDBC05135","65219","Present",NA,NA
+"5136","(4-Chlorophenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl) 2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxylate",NA,"CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)OC3=CC=C(C=C3)Cl","ZKEXZNHAMVKSPS-UHFFFAOYSA-N",24204990,NA,"PDBC05136","733906","Present",NA,NA
+"5137","(4-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl) 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,"C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)Cl)NC3=CC(=NC=C3)C(F)(F)F","UFWWXIDUDYRLLY-UHFFFAOYSA-N",11682621,NA,"PDBC05137","731821","Present",NA,NA
+"5138","(4-Chlorophenyl) N'-(benzenesulfonamido)carbamimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637186",NA,"C1=CC=C(C=C1)S(=O)(=O)NN=C(N)OC2=CC=C(C=C2)Cl","UNFHDWXXGWLPLB-UHFFFAOYSA-N",5465110,NA,"PDBC05138","637186","Present",NA,NA
+"5139","(4-Chlorophenyl)-(2-ethyl-3,4-diphenyl-1,2-oxazol-2-ium-5-yl)methanone;tetrachloroiron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl)-(2-ethyl-3,4-diphenyl-1,2-oxazol-2-ium-5-yl)methanone;tetrachloroiron",NA,"CC[N+]1=C(C(=C(O1)C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4=CC=CC=C4.Cl[Fe](Cl)(Cl)Cl","VCTMHNSPENQTPM-UHFFFAOYSA-J",436246,NA,"PDBC05139","400594","Present",NA,NA
+"5140","(4-Chlorophenyl)-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-17-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl)-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaen-17-yl)methanone",NA,"CC1=C2C(=CC=C3C1=CC=C3)C4=CC=CC=C4N2C(=O)C5=CC=C(C=C5)Cl","KBJAZERJSFJSSO-UHFFFAOYSA-N",403545,NA,"PDBC05140","718565","Present",NA,NA
+"5141","(4-Chlorophenyl)-(2-phenanthren-9-yl-4,5-dihydroimidazol-1-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Chlorophenyl)carbonyl]-2-phenanthren-9-yl-4,5-dihydro-1h-imidazole",NA,"C1CN(C(=N1)C2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)C5=CC=C(C=C5)Cl","GJPAXUYMFCDAKE-UHFFFAOYSA-N",403516,NA,"PDBC05141","718517","Present",NA,NA
+"5142","(4-Chlorophenyl)-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl)-[3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanol",NA,"CC1(COC(=N1)C2=CC(=CC=C2)C(C3=CC=C(C=C3)Cl)O)C","ZJUXCZVDGIBZEE-UHFFFAOYSA-N",384078,NA,"PDBC05142","673300","Present",NA,NA
+"5143","(4-Chlorophenyl)-[3-(4-chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl)-[3-(4-chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone",NA,"C1C(=NN(C1(C2=CC(=C(C=C2Cl)Cl)F)O)C(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","YHRAIIZUKUEQNN-UHFFFAOYSA-N",400816,NA,"PDBC05143","713322","Present",NA,NA
+"5144","(4-Chlorophenyl)-[4-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl)-[4-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]methanone",NA,"CC1(COC(=N1)C2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)C","OJVXGUQSDYMULP-UHFFFAOYSA-N",384079,NA,"PDBC05144","673301","Present",NA,NA
+"5145","(4-Chlorophenyl)-[4-(4-chlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]methanone;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorobenzoyl)-4-(4-chlorophenyl)-1-ethyl-4-hydroxy-1-methylpiperidinium bromide",NA,"CC[N+]1(CCC(C(C1)C(=O)C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O)C.[Br-]","VTZSZMBLTKKFLW-UHFFFAOYSA-M",376393,NA,"PDBC05145","657303","Present",NA,NA
+"5146","(4-Chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]methanone",NA,"COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CC=C(C=C4)Cl)OC","IHJZVNYULAZNOD-UHFFFAOYSA-N",400820,NA,"PDBC05146","713326","Present",NA,NA
+"5147","(4-Chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-3-(4-methoxyphenyl)-4H-pyrazol-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl)-[5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-3-(4-methoxyphenyl)-4H-pyrazol-1-yl]methanone",NA,"COC1=CC=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CC=C(C=C4)Cl","YFRMOZFLJICFKQ-UHFFFAOYSA-N",400818,NA,"PDBC05147","713324","Present",NA,NA
+"5148","(4-Chlorophenyl)-diethoxyphosphorylmethanamine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl)-diethoxyphosphoryl-methanamine; 4-methylbenzenesulfonic acid",NA,"CCOP(=O)(C(C1=CC=C(C=C1)Cl)N)OCC.CC1=CC=C(C=C1)S(=O)(=O)O","IJDCVWZYCHYXQR-UHFFFAOYSA-N",397500,NA,"PDBC05148","705596","Present",NA,NA
+"5149","(4-Chlorophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,"CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)Cl","BAVMTXFKKCMJJS-UHFFFAOYSA-N",394916,NA,"PDBC05149","699009","Present",NA,NA
+"5150","(4-Cyano-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Cyano-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-2-yl)methyl acetate",NA,"CC(=O)OCC12CN(C3C1C4(C5CC2C3CO5)C6=CC=CC=C6N(C4=O)C)C#N","SOGKVFGISZZZLF-UHFFFAOYSA-N",356178,NA,"PDBC05150","611261","Present",NA,NA
+"5151","(4-Cyano-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Cyano-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)acetic acid",NA,"C1=CC=C2C(=C1)NC3=C(C(=CC(=O)N23)CC(=O)O)C#N","JCODYAQBQNCKDA-UHFFFAOYSA-N",364720,NA,"PDBC05151","631378","Present",NA,NA
+"5152","(4-Cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Cyano-1-oxo-5H-pyrido[1,2-a]benzimidazol-3-yl)methyl acetate",NA,"CC(=O)OCC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N","GJJIVDHXMASVGX-UHFFFAOYSA-N",387842,NA,"PDBC05152","682002","Present",NA,NA
+"5153","(4-Cyanophenyl) 4-(diaminomethylideneamino)benzoate;pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Cyanophenyl) 4-(diaminomethylideneamino)benzoate;pyridine",NA,"C1=CC=NC=C1.C1=CC(=CC=C1C#N)OC(=O)C2=CC=C(C=C2)N=C(N)N","VJBZQNKPRPWGLB-UHFFFAOYSA-N",424779,NA,"PDBC05153","168197","Present",NA,NA
+"5154","(4-Cyanophenyl) N-(3,4-dichlorophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Cyanophenyl) N-(3,4-dichlorophenyl)carbamate",NA,"C1=CC(=CC=C1C#N)OC(=O)NC2=CC(=C(C=C2)Cl)Cl","QEWSVWTVNSZJCB-UHFFFAOYSA-N",342425,NA,"PDBC05154","379372","Present",NA,NA
+"5155","(4-Diethoxyphosphoryl-4,4-difluoro-1-hexadecoxybutan-2-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Diethoxyphosphoryl-3,3-difluoro-1-(hexadecoxymethyl)propyl] acetate",NA,"CCCCCCCCCCCCCCCCOCC(CC(F)(F)P(=O)(OCC)OCC)OC(=O)C","MLFKJPLMVKLDCA-UHFFFAOYSA-N",395216,NA,"PDBC05155","699690","Present",NA,NA
+"5156","(4-Ethyl-5-methyl-3-cyclohexen-1-yl)(diphenyl)phosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Ethyl-5-methyl-3-cyclohexen-1-yl)(diphenyl)phosphine oxide",NA,"CCC1=CCC(CC1C)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3","GCMNVACRSQTENH-UHFFFAOYSA-N",364916,NA,"PDBC05156","631803","Present",NA,NA
+"5157","(4-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Fluorophenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate",NA,"COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=C(C=C4)F)OC)OC","KALNLOJBUCRQOO-UHFFFAOYSA-N",372986,NA,"PDBC05157","648774","Present",NA,NA
+"5158","(4-Fluorophenyl)-pyrrolidin-1-yldiazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Fluorophenylazo)pyrrolidine",NA,"C1CCN(C1)N=NC2=CC=C(C=C2)F","PMIAFDIFOGOSSA-UHFFFAOYSA-N",390393,NA,"PDBC05158","687747","Present",NA,NA
+"5159","(4-Fluorophenyl)methyl N-(4,5-dimethyl-2-nitrophenyl)carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Fluorophenyl)methyl N-(4,5-dimethyl-2-nitrophenyl)carbamodithioate",NA,"CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=S)SCC2=CC=C(C=C2)F","FYDYCTIWSSSURB-UHFFFAOYSA-N",3325020,NA,"PDBC05159","290980","Present",NA,NA
+"5160","(4-Fluorophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Fluorophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,"CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)F","ODNCYLCIRQTIQM-UHFFFAOYSA-N",394917,NA,"PDBC05160","699010","Present",NA,NA
+"5161","(4-Furo[2,3-b]quinolin-4-yloxyphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]methanol",NA,"C1=CC=C2C(=C1)C(=C3C=COC3=N2)OC4=CC=C(C=C4)CO","ODOAHMRPFYDXGF-UHFFFAOYSA-N",406550,NA,"PDBC05161","724698","Present",NA,NA
+"5162","(4-Hydroxy-2-oxo-3,4-dihydro-1,3-benzoxazin-6-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Hydroxy-2-oxo-3,4-dihydro-1,3-benzoxazin-6-yl)methyl acetate",NA,"CC(=O)OCC1=CC2=C(C=C1)OC(=O)NC2O","SECBXWYCTJSPHC-UHFFFAOYSA-N",331500,NA,"PDBC05162","324047","Present",NA,NA
+"5163","(4-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl) acetate",NA,"CC(=O)OC1=C2CCCCC2=C(C=C1)O","BRRMZOVBOURVNY-UHFFFAOYSA-N",358348,NA,"PDBC05163","618313","Present",NA,NA
+"5164","(4-Hydroxy-6-methoxy-2-methyloxan-3-yl) benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Hydroxy-6-methoxy-2-methyloxan-3-yl) benzoate",NA,"CC1C(C(CC(O1)OC)O)OC(=O)C2=CC=CC=C2","GBBTYIBCVJGZKH-UHFFFAOYSA-N",359626,NA,"PDBC05164","620685","Present",NA,NA
+"5165","(4-Hydroxyanilino)(imino)methanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Hydroxyanilino)(imino)methanesulfonic acid",NA,"C1=CC(=CC=C1N=C(N)S(=O)(=O)O)O","DZKRCDCLVRJXRU-UHFFFAOYSA-N",388369,NA,"PDBC05165","683263","Present",NA,NA
+"5166","(4-Hydroxyimino-cyclohexa-2,5-dienylidene)-phenyl-acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Cyclohexadiene-.delta.1,.alpha.-acetonitrile, 4-oxo-...",NA,"C1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N","CEQPEKHLBZNDQM-UHFFFAOYSA-N",346833,NA,"PDBC05166","405159","Present",NA,NA
+"5167","(4-Hydroxyphenyl) 2-methylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylbenzoic acid (4-hydroxyphenyl) ester",NA,"CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)O","BOONETDXYXMSMD-UHFFFAOYSA-N",358346,NA,"PDBC05167","618311","Present",NA,NA
+"5168","(4-Hydroxyphenyl)-N-(4-oxo-2-phenyl(3-hydroquinazolin-3-yl))carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)O","LVBQCQQKNQYJIH-UHFFFAOYSA-N",376429,NA,"PDBC05168","657343","Present",NA,NA
+"5169","(4-Isothiocyanatophenyl)methyl N'-aminocarbamimidothioate;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671431",NA,"C1=CC(=CC=C1CSC(=NN)N)N=C=S.Br","OVABBSYTLUHOME-UHFFFAOYSA-N",9571924,NA,"PDBC05169","671431","Present",NA,NA
+"5170","(4-Isothiocyanatophenyl)methyl carbamimidothioate;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671430",NA,"C1=CC(=CC=C1CSC(=N)N)N=C=S.Br","YWZJXXSODGISFF-UHFFFAOYSA-N",383317,NA,"PDBC05170","671430","Present",NA,NA
+"5171","(4-Methoxy-2,4-dioxobutyl)-triphenylphosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648233",NA,"COC(=O)CC(=O)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","IBISKZMSPQZZKI-UHFFFAOYSA-M",372700,NA,"PDBC05171","648233","Present",NA,NA
+"5172","(4-Methoxyphenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methoxyphenyl) 2-(1,2,3-trimethoxy-9-methylsulfanyl-8-oxo-5,6-dihydrocyclohepta[a]naphthalen-6-yl)acetate",NA,"COC1=CC=C(C=C1)OC(=O)CC2CC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC","LMLLUQXQQCGHHQ-UHFFFAOYSA-N",372987,NA,"PDBC05172","648775","Present",NA,NA
+"5173","(4-Methoxyphenyl)(2,3,4-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methoxyphenyl)(2,3,4-trimethoxyphenyl)methanone",NA,"COC1=CC=C(C=C1)C(=O)C2=C(C(=C(C=C2)OC)OC)OC","XOAIHPXZWMXWPP-UHFFFAOYSA-N",240478,NA,"PDBC05173","46683","Present",NA,NA
+"5174","(4-Methoxyphenyl)(phenyl)iodanium trifluoroacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methoxyphenyl)-phenyliodanium;2,2,2-trifluoroacetate",NA,"COC1=CC=C(C=C1)[I+]C2=CC=CC=C2.C(=O)(C(F)(F)F)[O-]","XXCQVFAKDMZVLF-UHFFFAOYSA-M",21910132,NA,"PDBC05174","141351","Present",NA,NA
+"5175","(4-Methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanol",NA,"COC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)O","CTISBFSGYTVNIP-UHFFFAOYSA-N",368140,NA,"PDBC05175","638483","Present",NA,NA
+"5176","(4-Methoxyphenyl)-(4,5,6-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methoxyphenyl)-(4,5,6-trimethoxy-1H-indol-2-yl)methanone",NA,"COC1=CC=C(C=C1)C(=O)C2=CC3=C(C(=C(C=C3N2)OC)OC)OC","DEINVPDAEWSYMQ-UHFFFAOYSA-N",51032645,NA,"PDBC05176","748399","Present",NA,NA
+"5177","(4-Methoxyphenyl)-(6-thioxo-3H-purin-7-yl)mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methoxyphenyl)-(6-thioxo-3H-purin-7-yl)mercury",NA,NA,NA,NA,NA,"PDBC05177","631943","Present",NA,NA
+"5178","(4-Methoxyphenyl)-[4-[3-[(E)-2-nitroethenyl]indol-1-yl]phenyl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methoxyphenyl)-[4-[3-[(E)-2-nitroethenyl]indol-1-yl]phenyl]methanone",NA,"COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C=C(C4=CC=CC=C43)C=C[N+](=O)[O-]","LXXBHAHCWIONOF-CCEZHUSRSA-N",5471105,NA,"PDBC05178","708483","Present",NA,NA
+"5179","(4-Methoxyphenyl)-pyrrolidin-1-yldiazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Pyrrolizinoazo)anisole",NA,"COC1=CC=C(C=C1)N=NN2CCCC2","MUGWKDATFDQVFX-UHFFFAOYSA-N",390392,NA,"PDBC05179","687746","Present",NA,NA
+"5180","(4-Methoxyphenyl)[4-(oxoarsanyl)phenyl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-16283",NA,"COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)[As]=O","NFADCVNKOTVVFE-UHFFFAOYSA-N",226137,NA,"PDBC05180","16283","Present",NA,NA
+"5181","(4-Methoxyphenyl)carbamothioyl cyanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JSNTULLDGTWAAQ-UHFFFAOYSA-N",NA,"COC1=CC=C(C=C1)NC(=S)C#N","JSNTULLDGTWAAQ-UHFFFAOYSA-N",3636623,NA,"PDBC05181","369319","Present",NA,NA
+"5182","(4-Methyl-2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methyl-2-oxochromen-7-yl) N,N-bis(2-chloroethyl)carbamate",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)N(CCCl)CCCl","NAFZWYVSUFHOHU-UHFFFAOYSA-N",304395,NA,"PDBC05182","196219","Present",NA,NA
+"5183","(4-Methyl-2-oxochromen-7-yl) N-(2,4-dimethoxyphenyl)carbamate;(4-methyl-7-oxochromen-2-yl) N-(2,4-dimethoxyphenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, (2,4-dimethoxyphenyl)-, 4-methyl-2-oxo- 2...",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)NC3=C(C=C(C=C3)OC)OC.CC1=C2C=CC(=O)C=C2OC(=C1)OC(=O)NC3=C(C=C(C=C3)OC)OC","MAAZYFGKHNVRNP-UHFFFAOYSA-N",353609,NA,"PDBC05183","602335","Present",NA,NA
+"5184","(4-Methyl-2-oxochromen-7-yl) N-(3,4-dichlorophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methyl-2-oxochromen-7-yl) N-(3,4-dichlorophenyl)carbamate",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)NC3=CC(=C(C=C3)Cl)Cl","QTQXCJVAXPNMMB-UHFFFAOYSA-N",320940,NA,"PDBC05184","270101","Present",NA,NA
+"5185","(4-Methyl-2-oxochromen-7-yloxy)-N-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methyl-2-oxochromen-7-yl) N-phenylcarbamate",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)NC3=CC=CC=C3","YACMRJAQFAZRDM-UHFFFAOYSA-N",310644,NA,"PDBC05185","215568","Present",NA,NA
+"5186","(4-Methylbenzyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM2378861",NA,"CC1=CC=C(C=C1)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","CEEKCHGNKYVTTM-UHFFFAOYSA-M",11797662,NA,"PDBC05186","77141","Present",NA,NA
+"5187","(4-Methylcuban-1-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methyl-cubanecarbinol",NA,"CC12C3C4C1C5C2C3C45CO","BAEFCXUMOHTMRJ-UHFFFAOYSA-N",390553,NA,"PDBC05187","688039","Present",NA,NA
+"5188","(4-Methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methylnaphthalen-1-yl)-[2-(naphthalen-1-ylmethyl)phenyl]methanimine;hydrochloride",NA,"CC1=CC=C(C2=CC=CC=C12)C(=N)C3=CC=CC=C3CC4=CC=CC5=CC=CC=C54.Cl","KPUQMLLFJPIATQ-UHFFFAOYSA-N",5351941,NA,"PDBC05188","99550","Present",NA,NA
+"5189","(4-Methylphenyl)(2-(4-methylphenyl)-4,4a,5,7a-tetrahydrocyclopenta[b]thiopyran-4-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methylphenyl)(2-(4-methylphenyl)-4,4a,5,7a-tetrahydrocyclopenta[b]thiopyran-4-yl)methanone",NA,"CC1=CC=C(C=C1)C2=CC(C3CC=CC3S2)C(=O)C4=CC=C(C=C4)C","UZPMSCYFVVIUEA-UHFFFAOYSA-N",381275,NA,"PDBC05189","667711","Present",NA,NA
+"5190","(4-Nitrophenyl) 2-[[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Nitrophenyl) 2-[[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetyl]amino]-3-phenylpropanoate",NA,"CCCCCCCCCCCCOCCOCCOCCOCCOCCOCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]","PQBOOJWKELKJDE-UHFFFAOYSA-N",388564,NA,"PDBC05190","683567","Present",NA,NA
+"5191","(4-Nitrophenyl) 2-[bis(1-adamantyloxycarbonyl)amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glycine, N,N-bis[(tricyclo[3,3,1,1(3,7)]-1-decyloxy)carb...",NA,"C1C2CC3CC1CC(C2)(C3)OC(=O)N(CC(=O)OC4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC56CC7CC(C5)CC(C7)C6","GQJJUERUDMZYFN-UHFFFAOYSA-N",382440,NA,"PDBC05191","670006","Present",NA,NA
+"5192","(4-Nitrophenyl) 3-phenyl-2-[[2-(tridecanoylamino)acetyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Nitrophenyl) 3-phenyl-2-[[2-(tridecanoylamino)acetyl]amino]propanoate",NA,"CCCCCCCCCCCCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]","LGHZJIAMJUWMNS-UHFFFAOYSA-N",387367,NA,"PDBC05192","681119","Present",NA,NA
+"5193","(4-Nitrophenyl)(pyrrolidin-1-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS013973",NA,"C1CCN(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]","VIPIQYQJPCFIER-UHFFFAOYSA-N",386112,NA,"PDBC05193","677744","Present",NA,NA
+"5194","(4-Nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Nitrophenyl)methyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate",NA,"C1CC2C#CC=CC#CC3C4(C1)C2(O4)C5=CC=CC=C5N3C(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]","QWOHTRSZULPMGF-IDLMTYENSA-N",5469104,NA,"PDBC05194","683253","Present",NA,NA
+"5195","(4-Nitrophenyl)methyl 5-amino-4-[2-(tert-butoxycarbonylamino)pent-4-enoylamino]-5-oxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Nitrophenyl)methyl 5-amino-4-[2-(tert-butoxycarbonylamino)pent-4-enoylamino]-5-oxo-pentanoate",NA,"CC(C)(C)OC(=O)NC(CC=C)C(=O)NC(CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N","FJNGTHSYQLUHFA-UHFFFAOYSA-N",382703,NA,"PDBC05195","670351","Present",NA,NA
+"5196","(4-Nitrophenyl)methyl N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Nitrophenyl)methyl N-[1-(chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]carbamate",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)NC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])CCl)OC)OC","QBXGPDHONUGPPB-UHFFFAOYSA-N",393527,NA,"PDBC05196","695585","Present",NA,NA
+"5197","(4-Nitrophenyl)methyl N-[1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]carbamate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Nitrophenyl)methyl N-[1-(chloromethyl)-3-[5-[2-(dimethylamino)ethoxy]-1H-indole-2-carbonyl]-1,2-dihydrobenzo[e]indol-5-yl]carbamate;hydrochloride",NA,"CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)NC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-])CCl.Cl","CJUFICHCLRMVJS-UHFFFAOYSA-N",396200,NA,"PDBC05197","701749","Present",NA,NA
+"5198","(4-Nitrophenyl)sulfanylimino-[3-[[(4-nitrophenyl)sulfanylimino-lambda4-sulfanylidene]amino]sulfanylphenyl]sulfanylimino-lambda4-sulfane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Nitrophenyl)sulfanylimino-[3-[[(4-nitrophenyl)sulfanylimino-lambda4-sulfanylidene]amino]sulfanylphenyl]sulfanylimino-lambda4-sulfane",NA,"C1=CC(=CC(=C1)SN=S=NSC2=CC=C(C=C2)[N+](=O)[O-])SN=S=NSC3=CC=C(C=C3)[N+](=O)[O-]","HYVYXFFWUVAIBD-UHFFFAOYSA-N",399824,NA,"PDBC05198","710959","Present",NA,NA
+"5199","(4-Nitrophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Nitrophenyl)sulfonyl N,N-diethylcarbamodithioate",NA,"CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]","ASQJUHPOWYCHGI-UHFFFAOYSA-N",394913,NA,"PDBC05199","699006","Present",NA,NA
+"5200","(4-Phenoxyphenyl) 2-methylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Phenoxyphenyl) 2-methylbenzoate",NA,"CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)OC3=CC=CC=C3","HZQHGPAVFRRYIE-UHFFFAOYSA-N",358347,NA,"PDBC05200","618312","Present",NA,NA
+"5201","(4-Tert-butyl-2-chlorophenoxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNBCFSGMPXZHGU-UHFFFAOYSA-N",NA,"CC(C)(C)C1=CC(=C(C=C1)OCC(=O)O)Cl","JNBCFSGMPXZHGU-UHFFFAOYSA-N",230818,NA,"PDBC05201","26118","Present",NA,NA
+"5202","(4-bromophenyl)[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-bromophenyl)[?]one",NA,"C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)N=C(CS4)C5=CC=C(C=C5)Br","SURWBFSCWSHGNK-UHFFFAOYSA-N",383945,NA,"PDBC05202","672909","Present",NA,NA
+"5203","(4-cyano-benzylidene-hydrazino-carbonylmethylsulfanyl)ac...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-cyano-benzylidene-hydrazino-carbonylmethylsulfanyl)ac...",NA,"C1=CC(=CC=C1C=NNC(=O)CSCC(=O)NN=CC2=CC=C(C=C2)C#N)C#N","LWNOKGYIRSPRNO-ASIDMNOUSA-N",9572684,NA,"PDBC05203","724293","Present",NA,NA
+"5204","(4-fluoro-benzylidene-hydrazinocarbonylmethylsulfanyl)ac...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-fluoro-benzylidene-hydrazinocarbonylmethylsulfanyl)ac...",NA,"C1=CC(=CC=C1C=NNC(=O)CSCC(=O)NN=CC2=CC=C(C=C2)F)F","FQNNLXHHDSWKOZ-VGENTYGXSA-N",9572686,NA,"PDBC05204","724295","Present",NA,NA
+"5205","(4-isopropylphenyl)[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-isopropylphenyl)[?]dione",NA,"CC(C)C1=CC=C(C=C1)C2C3=C(C(=O)C4=CC=CC=C43)N=C5N2C(=O)CS5","BNNDSMNCPVZHBW-UHFFFAOYSA-N",369414,NA,"PDBC05205","641184","Present",NA,NA
+"5206","(4-nitrophenyl)[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-nitrophenyl)[?]one",NA,"C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)N=C(CS4)C5=CC=C(C=C5)[N+](=O)[O-]","XVFLGZZGDRGFHR-UHFFFAOYSA-N",495989,NA,"PDBC05206","675760","Present",NA,NA
+"5207","(4-t-butyl-benzylidene-hydrazino-carbonylmethylsulfanyl)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-t-butyl-benzylidene-hydrazino-carbonylmethylsulfanyl)...",NA,"CC(C)(C)C1=CC=C(C=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=C(C=C2)C(C)(C)C","IWMHUAAVFREZMP-DPCVLPDWSA-N",9572685,NA,"PDBC05207","724294","Present",NA,NA
+"5208","(4-{[4-Chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}phenyl)-N-(4-chlorophenyl)ca rboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(4-chlorophenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-d...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)Cl","IXDZGAXCTALOFB-UHFFFAOYSA-N",1194955,NA,"PDBC05208","732828","Present",NA,NA
+"5209","(4-{[4-Chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}phenyl)-N-(4-fluorophenyl)ca rboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(4-fluorophenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-d...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)F","OAKWTGIONVUUEC-UHFFFAOYSA-N",1194957,NA,"PDBC05209","732830","Present",NA,NA
+"5210","(4-{[4-Chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}phenyl)-N-(4-methoxyphenyl)c arboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(4-methoxyphenyl)-4-(1-benzyl-4-chloro-2,5-dioxo-2,5-...",NA,"COC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","HTBHZKXGZOIISK-UHFFFAOYSA-N",1194933,NA,"PDBC05210","732825","Present",NA,NA
+"5211","(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-46-(1,2,3,4,5-pentahydroxypentyl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta-5,7,9,11,13,15,23,25,27,29(45),30,32,34(39),35,37-pentadecaene-4,17,22,40,44-pentone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(46R)-7,8,9,12,13,14,25,26,27,30,31,32,35,36,37-Pentadecahydroxy-46-(1,2,3,4,5-pentahydroxypentyl)-3,18,21,41,43-pentaoxanonacyclo[27.13.3.138,42.02,20.05,10.011,16.023,28.033,45.034,39]hexatetraconta",NA,"C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)C(C(C(C(CO)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O","KYLNUSOFJPEGQL-KFHLWQGWSA-N",385549,NA,"PDBC05211","676817","Present",NA,NA
+"5212","(4Aalpha,10R)-2-(tert-Butoxycarbonyl)-11-methyl-8alpha,8aalpha-(epiminoethano)octahydrospiro[isoquinoline-7(8H),2'-[1,3]dithiane]-10-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-O'-Tert-butyl 9-O'-ethyl (4'aR,7'aR,9'R,10'aR)-8'-methylspiro[1,3-dithiane-2,7'-3,4,4a,5,6,7a,9,10-octahydro-1H-pyrrolo[2,3-i]isoquinoline]-2',9'-dicarboxylate",NA,"CCOC(=O)C1CC23CN(CCC2CCC4(C3N1C)SCCCS4)C(=O)OC(C)(C)C","WAIYGFUVIDRYLJ-VRVBVOGLSA-N",402475,NA,"PDBC05212","716499","Present",NA,NA
+"5213","(4Ar)-2-benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Ar)-2-benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-carbonitrile",NA,"C1CC2(CC3C1CN(C(C3)C#N)C(=O)C4=CC=CC=C4)OCCO2","XIPRMSHMVONOPL-AQFXKWCLSA-N",358293,NA,"PDBC05213","618235","Present",NA,NA
+"5214","(4Ar)-spiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Ar)-spiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-2-carbonitrile",NA,"C1CC2(CC3C1CN(CC3)C#N)OCCO2","VRGCPBRJHREASN-NFJWQWPMSA-N",358288,NA,"PDBC05214","618230","Present",NA,NA
+"5215","(4Ar,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Ar,5R,6aR,6aS,6bR,8aR,10S,12aR,14bS)-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxyli",NA,"CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C(=O)O)C","WYDPEADEZMZKNM-BYFNDDQKSA-N",385539,NA,"PDBC05215","676797","Present",NA,NA
+"5216","(4Ar,8aR)-1,2,4,4a,5,7,8,8a-octahydroisoquinoline-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Ar,8aR)-1,2,4,4a,5,7,8,8a-octahydroisoquinoline-3,6-dione",NA,"C1CC(=O)CC2C1CNC(=O)C2","OIEDOGPAJOVOCZ-NKWVEPMBSA-N",359541,NA,"PDBC05216","620524","Present",NA,NA
+"5217","(4Ar,8aR)-spiro[1,2,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Ar,8aR)-spiro[1,2,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-3-one",NA,"C1CC2(CC3C1CNC(=O)C3)OCCO2","HJJBJFHSSQRFMS-IUCAKERBSA-N",359539,NA,"PDBC05217","620522","Present",NA,NA
+"5218","(4Ar,8aS)-6-methoxy-2,2-dimethyl-7-(4-nitroanilino)-4,4a,6,8a-tetrahydro-[1,3]dioxino[4,5-e][1,3]oxazin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Ar,8aS)-6-methoxy-2,2-dimethyl-7-(4-nitroanilino)-4,4a,6,8a-tetrahydro-[1,3]dioxino[4,5-e][1,3]oxazin-8-one",NA,"CC1(OCC2C(O1)C(=O)N(C(O2)OC)NC3=CC=C(C=C3)[N+](=O)[O-])C","QMGJCDOLIAZUSN-RJTITELWSA-N",374291,NA,"PDBC05218","651810","Present",NA,NA
+"5219","(4As,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethylphe nanthren-6-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4aS,10aS)-1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethy...",NA,"CC(=O)OC1=CC2=C(CCC3C2(CCCC3(C)C)C)C=C1","HPJOCOQLNLDTCJ-PKOBYXMFSA-N",11543787,NA,"PDBC05219","731786","Present",NA,NA
+"5220","(4As,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydronaphtho[2,1-f]isoquinoline-1,3,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4As,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,9,10,10b,11,12-decahydronaphtho[2,1-f]isoquinoline-1,3,8-trione",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=O)NC4=O)C","GPOVAOHLINYWJX-MUAMBBPCSA-N",371332,NA,"PDBC05220","645463","Present",NA,NA
+"5221","(4As,6R,8aR)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4As,6R,8aR)-6-hydroxy-1,1,4a,6-tetramethyl-5-[(2Z)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydronaphthalen-2-one",NA,"CC(=CCC1C2(CCC(=O)C(C2CCC1(C)O)(C)C)C)C=C","DJOZXNLJMQJGFO-JBXMIFJPSA-N",5469432,NA,"PDBC05221","687959","Present",NA,NA
+"5222","(4As,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4As,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C","LEQCLUFJRGKLOA-JLRAIIHGSA-N",385519,NA,"PDBC05222","676770","Present",NA,NA
+"5223","(4As,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4As,6aR,6aS,6bR,8aR,10S,12aR,14bS)-2,2,6a,6b,9,9,12a-heptamethyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1)C)C(=O)O)C","ZNFRITHWVZXJRK-UOIDGVBTSA-N",385530,NA,"PDBC05223","676786","Present",NA,NA
+"5224","(4As,8S,8aS)-8-hydroxy-4-(hydroxymethyl)-6-(1-hydroxypropan-2-yl)-8a-methyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4As,8S,8aS)-8-hydroxy-4-(hydroxymethyl)-6-(1-hydroxypropan-2-yl)-8a-methyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one",NA,"CC(CO)C1CC2C(=CC(=O)CC2(C(C1)O)C)CO","OCRFGDDPLHXHFA-RATURRKTSA-N",390514,NA,"PDBC05224","687954","Present",NA,NA
+"5225","(4As,8S,8aS)-8-hydroxy-6-(1-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4As,8S,8aS)-8-hydroxy-6-(1-hydroxypropan-2-yl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one",NA,"CC1=CC(=O)CC2(C1CC(CC2O)C(C)CO)C","YRSSFUSUDSNDDL-FELOIKABSA-N",390513,NA,"PDBC05225","687953","Present",NA,NA
+"5226","(4As,8aR)-4-acetyl-2-propan-2-yl-4,4a,5,7,8,8a-hexahydro-1H-isoquinoline-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4As,8aR)-4-acetyl-2-propan-2-yl-4,4a,5,7,8,8a-hexahydro-1H-isoquinoline-3,6-dione",NA,"CC(C)N1CC2CCC(=O)CC2C(C1=O)C(=O)C","HOWACHGEYGPTDK-QDYONFDCSA-N",359543,NA,"PDBC05226","620526","Present",NA,NA
+"5227","(4As,8aR)-5-ethenyl-2,2,6,6-tetramethyl-4a,5,8,8a-tetrahydro-4H-benzo[d][1,3]dioxin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4As,8aR)-5-ethenyl-2,2,6,6-tetramethyl-4a,5,8,8a-tetrahydro-4H-benzo[d][1,3]dioxin-7-one",NA,"CC1(C(C2COC(OC2CC1=O)(C)C)C=C)C","GUFZQMXEDAJEQU-GLYLRITDSA-N",360324,NA,"PDBC05227","622372","Present",NA,NA
+"5228","(4Br,12aS)-2-[2-(diethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-2-[2-(diethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride",NA,"CCN(CC)CCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OC.Cl","HMKDLZYCODUZFZ-RRISRFGOSA-N",375742,NA,"PDBC05228","655765","Present",NA,NA
+"5229","(4Br,12aS)-2-[2-(dimethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-2-[2-(dimethylamino)ethyl]-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,"CC12CCC3C(C1CC(=O)N(C2=O)CCN(C)C)CCC4=C3C=CC(=C4)OC","NSHFMXJGYQEOFH-JHDZUBBNSA-N",376243,NA,"PDBC05229","656926","Present",NA,NA
+"5230","(4Br,12aS)-2-amino-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-2-amino-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,"CC12CCC3C(C1CC(=O)N(C2=O)N)CCC4=C3C=CC(=C4)O","YLHNWYILZXTYAZ-UUDIZGDISA-N",376237,NA,"PDBC05230","656920","Present",NA,NA
+"5231","(4Br,12aS)-2-butyl-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-2-butyl-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,"CCCCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OC","SZYDQVLZIFYHKM-JHDZUBBNSA-N",379353,NA,"PDBC05231","663899","Present",NA,NA
+"5232","(4Br,12aS)-8-hydroxy-12a-methyl-2-(2-pyrrolidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-8-hydroxy-12a-methyl-2-(2-pyrrolidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione;hydrochloride",NA,"CC12CCC3C(C1CC(=O)N(C2=O)CCN4CCCC4)CCC5=C3C=CC(=C5)O.Cl","LYGWTQNXNZUYTB-MIMNEDCHSA-N",379351,NA,"PDBC05232","663898","Present",NA,NA
+"5233","(4Br,12aS)-8-hydroxy-12a-methyl-2-prop-2-enyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-8-hydroxy-12a-methyl-2-prop-2-enyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,"CC12CCC3C(C1CC(=O)N(C2=O)CC=C)CCC4=C3C=CC(=C4)O","XEYVVHPJJHRUPE-HTZGDQIUSA-N",379350,NA,"PDBC05233","663897","Present",NA,NA
+"5234","(4Br,12aS)-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-8-hydroxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,"CC12CCC3C(C1CC(=O)NC2=O)CCC4=C3C=CC(=C4)O","PLKNBMMJILFMCQ-UUDIZGDISA-N",379348,NA,"PDBC05234","663895","Present",NA,NA
+"5235","(4Br,12aS)-8-methoxy-12a-methyl-2-(2-piperidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-8-methoxy-12a-methyl-2-(2-piperidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,"CC12CCC3C(C1CC(=O)N(C2=O)CCN4CCCCC4)CCC5=C3C=CC(=C5)OC","ZOAJGMAIXWPQOE-BZVZYMTDSA-N",375741,NA,"PDBC05235","655764","Present",NA,NA
+"5236","(4Br,12aS)-8-methoxy-12a-methyl-2-(2-pyrrolidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-8-methoxy-12a-methyl-2-(2-pyrrolidin-1-ylethyl)-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,"CC12CCC3C(C1CC(=O)N(C2=O)CCN4CCCC4)CCC5=C3C=CC(=C5)OC","COJVDKKMDHCBJS-JSXIUCTPSA-N",375740,NA,"PDBC05236","655763","Present",NA,NA
+"5237","(4Br,12aS)-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Phenanthro[2,1-b]pyran-2-one, 3,4,4a,4b,5,6- 10b,11,1...",NA,"CC12CCC3C(C1CCC(=O)O2)CCC4=C3C=CC(=C4)OC","INHMMEWBTMZXLR-AFNJWWOFSA-N",380696,NA,"PDBC05237","666401","Present",NA,NA
+"5238","(4Br,12aS)-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-8-methoxy-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,"CC12CCC3C(C1CC(=O)NC2=O)CCC4=C3C=CC(=C4)OC","SAASRGGXVBMYBA-DXCLHELWSA-N",375064,NA,"PDBC05238","653947","Present",NA,NA
+"5239","(4Br,12aS)-8-methoxy-2,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,12aS)-8-methoxy-2,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinoline-1,3-dione",NA,"CC12CCC3C(C1CC(=O)N(C2=O)C)CCC4=C3C=CC(=C4)OC","LJADZWRSCPYZPB-FCULAJGNSA-N",376241,NA,"PDBC05239","656924","Present",NA,NA
+"5240","(4Br,8S,10aR,12aS)-2-amino-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,8S,10aR,12aS)-2-amino-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=O)N(C4=O)N)C)O","HDOMUOSSPZHKBI-SATMMKAJSA-N",371333,NA,"PDBC05240","645464","Present",NA,NA
+"5241","(4Br,8S,10aR,12aS)-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Br,8S,10aR,12aS)-8-hydroxy-10a,12a-dimethyl-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinoline-1,3-dione",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=O)NC4=O)C)O","IECROBYLYFHSPC-SATMMKAJSA-N",371331,NA,"PDBC05241","645462","Present",NA,NA
+"5242","(4Bs,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethylphena nthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4bS,8aS)-4b,5,6,7,8,8a,9,10-octahydro-4b,8,8-trimethylp...",NA,"CC1(CCCC2(C1CCC3=C2C=C(C=C3)O)C)C","DVRNZIIXOYTWET-DOTOQJQBSA-N",11242011,NA,"PDBC05242","730979","Present",NA,NA
+"5243","(4E)-2-(2-Hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-(2-Hydroxybenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC=CC=C2O)C(=O)C3=CC=CC=C3O","POUVHVLYRAMAON-GXDHUFHOSA-N",135499334,NA,"PDBC05243","652173","Present",NA,NA
+"5244","(4E)-2-(2-Hydroxybenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-(2-Hydroxybenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=CC=C2)O)C(=O)C3=CC=CC=C3O","FDZSCDZXIHCVLD-XNTDXEJSSA-N",5467417,NA,"PDBC05244","652178","Present",NA,NA
+"5245","(4E)-2-(2-Hydroxybenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-(2-Hydroxybenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC=CC=C3O","DTBDBKHBMOFRPV-OQLLNIDSSA-N",5467421,NA,"PDBC05245","652182","Present",NA,NA
+"5246","(4E)-2-(2-Hydroxybenzoyl)-5-methyl-4-[(3-nitrophenyl)methylene]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-(2-Hydroxybenzoyl)-5-methyl-4-[(3-nitrophenyl)methylene]pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3O","HXYGLTUSEVOSIG-XNTDXEJSSA-N",5467415,NA,"PDBC05246","652176","Present",NA,NA
+"5247","(4E)-2-(4-Chlorobenzoyl)-4-[(2-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-(4-Chlorobenzoyl)-4-[(2-hydroxyphenyl)methylidene]-5-methylpyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)Cl","YAIJKHXXALVHKX-XNTDXEJSSA-N",135499337,NA,"PDBC05247","652184","Present",NA,NA
+"5248","(4E)-2-(4-Chlorobenzoyl)-4-[(3,4-dimethoxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-(4-Chlorobenzoyl)-4-[(3,4-dimethoxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=C(C=C3)Cl","VDOJIDANOLMWHT-MHWRWJLKSA-N",5467426,NA,"PDBC05248","652188","Present",NA,NA
+"5249","(4E)-2-(4-Chlorobenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-(4-Chlorobenzoyl)-4-[(3-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=CC=C2)O)C(=O)C3=CC=C(C=C3)Cl","ZYAUVKJDEMGGOP-MHWRWJLKSA-N",5467423,NA,"PDBC05249","652185","Present",NA,NA
+"5250","(4E)-2-(4-Chlorobenzoyl)-4-[(4-chlorophenyl)methylene]-5-methyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorobenzoyl)-3-methyl-4-(4-chlorobenzylidene)-1H-pyrazole-5(4H)-one",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)Cl)C(=O)C3=CC=C(C=C3)Cl","OUXYPIJZNQNWOZ-MHWRWJLKSA-N",5467429,NA,"PDBC05250","652192","Present",NA,NA
+"5251","(4E)-2-(4-Chlorobenzoyl)-4-[(4-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-(4-Chlorobenzoyl)-4-[(4-hydroxyphenyl)methylene]-5-methyl-pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)Cl","KHDVRSANQYOYDA-MHWRWJLKSA-N",135499338,NA,"PDBC05251","652186","Present",NA,NA
+"5252","(4E)-2-(4-Chlorobenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-(4-Chlorobenzoyl)-5-methyl-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC=C(C=C3)Cl","OIBGKDWRHLRRSB-CXUHLZMHSA-N",5467427,NA,"PDBC05252","652189","Present",NA,NA
+"5253","(4E)-2-Hydroxy-4-[hydroxy(phenyl)methylidene]-1,5-bis(4-methoxyphenyl)-2-phenacylpyrrolidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-Hydroxy-4-[hydroxy(phenyl)methylidene]-1,5-bis(4-methoxyphenyl)-2-phenacylpyrrolidin-3-one",NA,"COC1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)O)C(=O)C(N2C4=CC=C(C=C4)OC)(CC(=O)C5=CC=CC=C5)O","RRMYJWUPSUMQAZ-OWWNRXNESA-N",5471002,NA,"PDBC05253","707085","Present",NA,NA
+"5254","(4E)-2-[Methyl(tert-butoxycarbonyl)amino]-2-tosyl-4-hexenoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-[Methyl(tert-butoxycarbonyl)amino]-2-tosyl-4-hexenoic acid ethyl ester",NA,"CCOC(=O)C(CC=CC)(N(C)C(=O)OC(C)(C)C)S(=O)(=O)C1=CC=C(C=C1)C","YNNMBEPZXIYYOB-CSKARUKUSA-N",5471006,NA,"PDBC05254","707108","Present",NA,NA
+"5255","(4E)-2-[Methyl(tert-butoxycarbonyl)amino]-6-hydroxy-4-hexenoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-[Methyl(tert-butoxycarbonyl)amino]-6-hydroxy-4-hexenoic acid ethyl ester",NA,"CCOC(=O)C(CC=CCO)N(C)C(=O)OC(C)(C)C","SOPGLANJPNBZDM-BQYQJAHWSA-N",5471007,NA,"PDBC05255","707109","Present",NA,NA
+"5256","(4E)-4-(1,3-Benzothiazol-2-ylhydrazinylidene)-3-methyl-2-methylsulfanyl-2,3-dihydronaphthalen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-(1,3-Benzothiazol-2-ylhydrazinylidene)-3-methyl-2-methylsulfanyl-2,3-dihydronaphthalen-1-one",NA,"CC1C(C(=O)C2=CC=CC=C2C1=NNC3=NC4=CC=CC=C4S3)SC","TXNPOUZYFIEATP-LTGZKZEYSA-N",24203938,NA,"PDBC05256","730198","Present",NA,NA
+"5257","(4E)-4-(3H-1,3-Benzothiazol-2-ylidene)-1-[4-(difluoromethylsulfanyl)phenyl]-5-iminopyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-(3H-1,3-Benzothiazol-2-ylidene)-1-[4-(difluoromethylsulfanyl)phenyl]-5-iminopyrrolidin-2-one",NA,"C1C(=C2NC3=CC=CC=C3S2)C(=N)N(C1=O)C4=CC=C(C=C4)SC(F)F","PXNROUIXJDNEAV-SIESLLRVSA-N",135543874,NA,"PDBC05257","744116","Present",NA,NA
+"5258","(4E)-4-(3H-1,3-Benzothiazol-2-ylidene)-5-imino-1-(3-methoxyphenyl)pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-(3H-1,3-Benzothiazol-2-ylidene)-5-imino-1-(3-methoxyphenyl)pyrrolidin-2-one",NA,"COC1=CC=CC(=C1)N2C(=O)CC(=C3NC4=CC=CC=C4S3)C2=N","APTGXTJYNDSBIO-BUTQJWPISA-N",135892287,NA,"PDBC05258","744115","Present",NA,NA
+"5259","(4E)-4-(Carbamothioylhydrazinylidene)-2,5-dioxo-N,1-diphenylpyrrolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-(Carbamothioylhydrazinylidene)-2,5-dioxo-N,1-diphenylpyrrolidine-3-carboxamide",NA,"C1=CC=C(C=C1)NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=CC=CC=C3","JGEBNWSJPYUCEG-KGENOOAVSA-N",6375779,NA,"PDBC05259","618553","Present",NA,NA
+"5260","(4E)-4-Benzylidene-1H-1-benzazepine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-Benzylidene-1H-1-benzazepine-2,5-dione",NA,"C1C(=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3NC1=O","OMXPEFBXZUCIFX-JLHYYAGUSA-N",5468284,NA,"PDBC05260","667517","Present",NA,NA
+"5261","(4E)-4-Benzylidene-2-(2-bromophenyl)-1,3-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-Benzylidene-2-(2-bromophenyl)-1,3-oxazol-5-one",NA,"C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3Br","LJDTVODLOJLOOW-GXDHUFHOSA-N",5985846,NA,"PDBC05261","360514","Present",NA,NA
+"5262","(4E)-4-Benzylidene-2-[(2Z)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685265///NSC685269///NSC685273",NA,"C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","KPQYCCFPBRDIQP-XAPHBCNESA-N",135505122,NA,"PDBC05262","685265///685269///685273","Present",NA,NA
+"5263","(4E)-4-Benzylidene-2-[(2Z)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685277///NSC685281",NA,"C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O","IZFWHMMSFXMNEO-VVQZMXHKSA-N",135505128,NA,"PDBC05263","685277///685281","Present",NA,NA
+"5264","(4E)-4-Benzylidene-6-methyltricyclo[4.4.0.02,7]decan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-Benzylidene-6-methyltricyclo[4.4.0.02,7]decan-3-one",NA,"CC12CC(=CC3=CC=CC=C3)C(=O)C4C1CCCC24","GSUMGBGLBSMGNE-JLHYYAGUSA-N",5387504,NA,"PDBC05264","624362","Present",NA,NA
+"5265","(4E)-4-Hydrazinylidene-N,1-bis(2-methoxyethyl)-2,5-dioxopyrrolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-Hydrazinylidene-N,1-bis(2-methoxyethyl)-2,5-dioxopyrrolidine-3-carboxamide",NA,"COCCNC(=O)C1C(=NN)C(=O)N(C1=O)CCOC","HUHKGWBVZZHMDU-RIYZIHGNSA-N",5934139,NA,"PDBC05265","618548","Present",NA,NA
+"5266","(4E)-4-Hydroxyimino-N,1-bis(4-methoxyphenyl)-2,5-dioxopyrrolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-Hydroxyimino-N,1-bis(4-methoxyphenyl)-2,5-dioxopyrrolidine-3-carboxamide",NA,"COC1=CC=C(C=C1)NC(=O)C2C(=NO)C(=O)N(C2=O)C3=CC=C(C=C3)OC","CEGOSBRGOCKRMF-LTGZKZEYSA-N",6413422,NA,"PDBC05266","618560","Present",NA,NA
+"5267","(4E)-4-[(2Z)-2-(5,7-Dibromo-8-hydroxy-1H-quinolin-2-ylidene)ethylidene]-2-methoxy-1-cyclohexa-2,5-dienone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dibromo-2-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]quinolin-8-ol",NA,"COC1=C(C=CC(=C1)C=CC2=NC3=C(C=C2)C(=CC(=C3O)Br)Br)O","LJHFHFMKDNYWHI-DUXPYHPUSA-N",135460261,NA,"PDBC05267","67090","Present",NA,NA
+"5268","(4E)-4-[(3,4-Dimethoxy-6-methyl-2-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-[(3,4-Dimethoxy-6-methyl-2-nitrophenyl)methylidene]-2-phenyl-1,3-oxazol-5-one",NA,"CC1=CC(=C(C(=C1C=C2C(=O)OC(=N2)C3=CC=CC=C3)[N+](=O)[O-])OC)OC","SVDXFYUVAIMMAK-GXDHUFHOSA-N",5470688,NA,"PDBC05268","704226","Present",NA,NA
+"5269","(4E)-4-[(3,4-Dimethoxyphenyl)methylene]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-[(3,4-Dimethoxyphenyl)methylene]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one",NA,"COC1=C(C=C(C=C1)C=C2CCS(=O)(=O)C3=CC=CC=C3C2=O)OC","OCQXVXYYDHSRDG-SDNWHVSQSA-N",5903817,NA,"PDBC05269","691559","Present",NA,NA
+"5270","(4E)-4-[(3,4-Dimethoxyphenyl)methylene]-2-(2-hydroxybenzoyl)-5-methyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Hydroxyphenyl)carbonyl]-4-[(3,4-dimethoxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=CC=C3O","MVLPVVYJOQLEQH-XNTDXEJSSA-N",5467419,NA,"PDBC05270","652180","Present",NA,NA
+"5271","(4E)-4-[(4-Chlorophenyl)methylidene]-2-[(2Z)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685268///NSC685276",NA,"C1=CC(=CC=C1C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O)Cl","FBQZTHBJNAZPRM-UVCBWJNHSA-N",135505125,NA,"PDBC05271","685268///685276","Present",NA,NA
+"5272","(4E)-4-[(4-Chlorophenyl)methylidene]-2-[(2Z)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685280///NSC685284",NA,"C1=CC(=CC=C1C=C2C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O)Cl","JJZLPLDPEFXQLG-IMLVXGQUSA-N",135505131,NA,"PDBC05272","685280///685284","Present",NA,NA
+"5273","(4E)-4-[(4-Methoxyphenyl)methylene]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-[(4-Methoxyphenyl)methylene]-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one",NA,"COC1=CC=C(C=C1)C=C2CCS(=O)(=O)C3=CC=CC=C3C2=O","BPGXKOQZRFBKOR-WYMLVPIESA-N",6036087,NA,"PDBC05273","691558","Present",NA,NA
+"5274","(4E)-4-[(4-Methoxyphenyl)methylidene]-2-[(2Z)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685267///NSC685275",NA,"COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","SOIJVVDWZTZYGW-SRHDKXJSSA-N",135505124,NA,"PDBC05274","685267///685275","Present",NA,NA
+"5275","(4E)-4-[(4-Methoxyphenyl)methylidene]-2-[(2Z)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685279///NSC685283",NA,"COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O","HRORYMAGQZFQHE-LZBAVMBZSA-N",135505130,NA,"PDBC05275","685279///685283","Present",NA,NA
+"5276","(4E)-4-[(4-Methylphenyl)methylidene]-2-[(2Z)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685266///NSC685270///NSC685274",NA,"CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","ZAZDNCMLPHANEC-SRHDKXJSSA-N",135505123,NA,"PDBC05276","685266///685270///685274","Present",NA,NA
+"5277","(4E)-4-[(4-Methylphenyl)methylidene]-2-[(2Z)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685278///NSC685282",NA,"CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O","CXAGJOLFYDCXSS-LZBAVMBZSA-N",135505129,NA,"PDBC05277","685278///685282","Present",NA,NA
+"5278","(4E)-4-[(E)-3-(2-Furyl)prop-2-enylidene]-2-phenyl-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-[(E)-3-(2-Furyl)prop-2-enylidene]-2-phenyl-oxazol-5-one",NA,"C1=CC=C(C=C1)C2=NC(=CC=CC3=CC=CO3)C(=O)O2","CIIVDZAOJONZNU-QXAPVUDZSA-N",6340133,NA,"PDBC05278","623909","Present",NA,NA
+"5279","(4E)-4-[Anilino(methylsulfanyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-[Anilino(methylsulfanyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=NC3=CC=CC=C3)SC","JNODMBPJGYNACI-UHFFFAOYSA-N",392143,NA,"PDBC05279","692023","Present",NA,NA
+"5280","(4E)-4-{[Amino(oxo)acetyl]hydrazono}-N-(4-chloro-2-methylphenyl)-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-[6-(4-Chloro-2-methylanilino)-1-(4-hydroxy-3-methoxyphenyl)-1,6-dioxohexan-3-ylidene]amino]oxamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=NNC(=O)C(=O)N)CC(=O)C2=CC(=C(C=C2)O)OC","OQAHZFIFTBCLGF-CVKSISIWSA-N",5781692,NA,"PDBC05280","622442","Present",NA,NA
+"5281","(4E)-4-{[Hydrazino(oxo)acetyl]hydrazono}-N-(4-methoxyphenyl)-7,7-dimethyl-6-oxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-{[Hydrazino(oxo)acetyl]hydrazono}-N-(4-methoxyphenyl)-7,7-dimethyl-6-oxooctanamide",NA,"CC(C)(C)C(=O)CC(=NNC(=O)C(=O)NN)CCC(=O)NC1=CC=C(C=C1)OC","BZIPLCNHHPWMBD-YDZHTSKRSA-N",9574382,NA,"PDBC05281","622392","Present",NA,NA
+"5282","(4E)-6-(4-Chlorophenyl)-N-(3,4-dimethylphenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-6-(4-Chlorophenyl)-N-(3,4-dimethylphenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-oxohexanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C(=O)NN)CC(=O)C2=CC=C(C=C2)Cl)C","ITARXXRBORLFOG-OVVQPSECSA-N",6078641,NA,"PDBC05282","625919","Present",NA,NA
+"5283","(4E)-N-(2,4-Dichlorophenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-N-(2,4-Dichlorophenyl)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide",NA,"COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)C(=O)NN)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)O","BHATYSXOCPECIX-UVHMKAGCSA-N",9569984,NA,"PDBC05283","630308","Present",NA,NA
+"5284","(4E)-N-(2,5-Dimethylphenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-(4-hydroxyphenyl)-5-methyl-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-N-(2,5-Dimethylphenyl)-4-[(2-hydrazinyl-2-oxoacetyl)hydrazinylidene]-6-(4-hydroxyphenyl)-5-methyl-6-oxohexanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)CCC(=NNC(=O)C(=O)NN)C(C)C(=O)C2=CC=C(C=C2)O","CMVWJAMYCPIRQE-OVVQPSECSA-N",5864065,NA,"PDBC05284","622394","Present",NA,NA
+"5285","(4E)-N-(3,4-Dimethylphenyl)-6-(4-fluorophenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-N-(3,4-Dimethylphenyl)-6-(4-fluorophenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-6-oxohexanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C(=O)NN)CC(=O)C2=CC=C(C=C2)F)C","PXURFKCXRZBPBS-OVVQPSECSA-N",5873290,NA,"PDBC05285","625914","Present",NA,NA
+"5286","(4E,12Z,27Z,43Z)-Hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E,12Z,27Z,43Z)-Hexatetraconta-4,12,27,43-tetraen-1,18,21,45-tetrayne-3,20-diol",NA,"C#CC=CCCCCCCCCCCCCCCC=CCCCCC#CC(C#CCCCCC=CCCCCCCC=CC(C#C)O)O","NNHVKLPHDUEJMM-AZUTUPKRSA-N",5470605,NA,"PDBC05286","703544","Present",NA,NA
+"5287","(4E,15Z)-Triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E,15Z)-Triaconta-4,15-dien-1,12,18,29-tetrayne-3,28-diol",NA,"C#CC(CCCCCCCCC#CCC=CCC#CCCCCCCC=CC(C#C)O)O","JXQKKFJMXWVGJQ-VBPYNGQDSA-N",5470604,NA,"PDBC05287","703543","Present",NA,NA
+"5288","(4E,15Z,26E)-4,15,26-Triacontatriene-1,12,18,29-tetryne-3,28-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E,15Z,26E)-4,15,26-Triacontatriene-1,12,18,29-tetryne-3,28-diol",NA,"C#CC(C=CCCCCCCC#CCC=CCC#CCCCCCCC=CC(C#C)O)O","PUFGWNJPJHYXPI-JGVBFEIUSA-N",5470603,NA,"PDBC05288","703542","Present",NA,NA
+"5289","(4E,5E)-4,5-Dibenzylidene-9-butyl-1,2,3,6,7,8-hexahydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E,5E)-4,5-Dibenzylidene-9-butyl-1,2,3,6,7,8-hexahydroacridine",NA,"CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCCC4=CC5=CC=CC=C5","XOLSPBQNCXYXHM-CDTUYSNOSA-N",5467326,NA,"PDBC05289","650740","Present",NA,NA
+"5290","(4E,5Z)-4,5-Bis[(4-methoxyphenyl)imino]-1-[(3-methyl-1,3-benzothiazol-2-ylidene)methyleneamino]-3-phenyl-imidazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Bis[(4-methoxyphenyl)imino]-1-[(3-methyl-1,3-benzothiazol-2-ylidene)methylideneamino]-3-phenylimidazolidine-2-thione",NA,"CN1C2=CC=CC=C2SC1=C=NN3C(=NC4=CC=C(C=C4)OC)C(=NC5=CC=C(C=C5)OC)N(C3=S)C6=CC=CC=C6","LDXDMBVFSOGIIJ-UHFFFAOYSA-N",383299,NA,"PDBC05290","671412","Present",NA,NA
+"5291","(4E,5Z)-4,5-Bis[(6-bromoquinazolin-4-yl)hydrazinylidene]pentane-1,2,3-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC716031///NSC716032",NA,"C1=CC2=C(C=C1Br)C(=NC=N2)NN=CC(=NNC3=NC=NC4=C3C=C(C=C4)Br)C(C(CO)O)O","BCYSHCNCOPMWBX-XJFZXDPTSA-N",54611941,NA,"PDBC05291","716031///716032","Present",NA,NA
+"5292","(4E,6S,7R,10E)-6-Hydroxy-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E,6S,7R,10E)-6-Hydroxy-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-ylcyclotetradeca-4,10-dien-1-one",NA,"CC1CCC=C(CCC(C(C=C(CCC1=O)CO)O)C(=C)C)C","YMCWKPZXTYQNSW-YLKRIFPQSA-N",24204967,NA,"PDBC05292","733759","Present",NA,NA
+"5293","(4E,8E)-2-[[(3E)-4,8-Dimethylnona-3,7-dienyl]-methylamino]-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8,12-Tetradecatrien-1-ol, 5,9,13-trimethyl-2-[(4,8-dim...",NA,"CC(=CCCC(=CCCC(=CCC(CO)N(C)CCC=C(C)CCC=C(C)C)C)C)C","AASSGPJLRRBDET-GMKOBWIPSA-N",5470379,NA,"PDBC05293","700517","Present",NA,NA
+"5294","(4E,8E,11E,13R,15R)-4,8,12,15-Tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-triene-15-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E,8E,11E,13R,15R)-4,8,12,15-Tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-triene-15-carbaldehyde",NA,"CC1=CCCC(=CCC=C(C2CC(CC1)C(O2)(C)C=O)C)C","XPGMBBWAAYJZIK-CAOVILBDSA-N",24204792,NA,"PDBC05294","732950","Present",NA,NA
+"5295","(4R)-(-)-Dihydrokikumycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R)-(-)-Dihydrokikumycin B",NA,"CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2CCC(=N2)N.Cl","FBXWSFRHRIPWKV-SBSPUUFOSA-N",361490,NA,"PDBC05295","624527","Present",NA,NA
+"5296","(4R)-2-(2-Pyridyl)-4-phenyl-5,5-dimethyl-2H,2H-1,3,2-dioxaphosphorinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4r)-5,5-Dimethyl-4-phenyl-2-thioxo-1,3-dioxa-2$l5-phosphacyclohex-2-yl]pyridine",NA,"CC1(COP(=S)(OC1C2=CC=CC=C2)C3=CC=CC=N3)C","PFWNRRXWRSEWGF-IWPPFLRJSA-N",399579,NA,"PDBC05296","710456","Present",NA,NA
+"5297","(4R)-2-Isopropyl-3-acetyl-4-(methoxycarbonyl)thiazolidine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R)-2-Isopropyl-3-acetyl-4-(methoxycarbonyl)thiazolidine 1,1-dioxide",NA,"CC(C)C1N(C(CS1(=O)=O)C(=O)OC)C(=O)C","HNVJCZGEWAEPEP-IENPIDJESA-N",397196,NA,"PDBC05297","704603","Present",NA,NA
+"5298","(4R)-3,3-Dimethyl-6-oxo-1,2-dithia-5-azacyclooctane-4beta-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(4r)-3,3-dimethyl-6-oxo-1,2,5-dithiazocane-4-carboxylate",NA,"CC1(C(NC(=O)CCSS1)C(=O)OC)C","IYNHYMJKHHXKAT-SSDOTTSWSA-N",398024,NA,"PDBC05298","707097","Present",NA,NA
+"5299","(4R)-3-[(1S)-1-[Tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylsulfanylazetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R)-3-[(1S)-1-[Tert-butyl(dimethyl)silyl]oxyethyl]-4-ethylsulfanylazetidin-2-one",NA,"CCSC1C(C(=O)N1)C(C)O[Si](C)(C)C(C)(C)C","IKAJSCSPWAOXBA-VXFCFVAISA-N",5387067,NA,"PDBC05299","620241","Present",NA,NA
+"5300","(4R)-3-[(2S,3R)-2-Methyl-3-phenyl-3-(benzylbenzoyloxyamino)propionyl]-4alpha-methyl-5alpha-phenyloxazolidine-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Benzyl-[(1R,2S)-2-methyl-3-[(4R,5S)-4-methyl-2-oxo-5-phenyl-1,3-oxazolidin-3-yl]-3-oxo-1-phenylpropyl]amino] benzoate",NA,"CC1C(OC(=O)N1C(=O)C(C)C(C2=CC=CC=C2)N(CC3=CC=CC=C3)OC(=O)C4=CC=CC=C4)C5=CC=CC=C5","KZVKNXYMFIECSI-KWGZYXKDSA-N",402641,NA,"PDBC05300","716816","Present",NA,NA
+"5301","(4R)-4-(1,3-Benzodioxol-5-yl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R)-4-(1,3-Benzodioxol-5-yl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione",NA,"C1OC2=C(O1)C=C(C=C2)C3C=C(NC(=S)N3)C4=CC(=C(C=C4Cl)Cl)F","WRYGXESUOVZTCZ-CYBMUJFWSA-N",5472192,NA,"PDBC05301","716880","Present",NA,NA
+"5302","(4R)-4-(4-Chlorophenyl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R)-4-(4-Chlorophenyl)-6-(2,4-dichloro-5-fluorophenyl)-3,4-dihydro-1H-pyrimidine-2-thione",NA,"C1=CC(=CC=C1C2C=C(NC(=S)N2)C3=CC(=C(C=C3Cl)Cl)F)Cl","NMUSIXPXNCKSRC-CQSZACIVSA-N",5472190,NA,"PDBC05302","716878","Present",NA,NA
+"5303","(4R)-4-Ethyl-2-[(E)-2-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)ethenyl]-4,5-dihydro-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R)-4-Ethyl-2-[(E)-2-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl)ethenyl]-4,5-dihydro-1,3-thiazole",NA,"CCC1CSC(=N1)C=CC2C3C(C4C(O2)OC(O4)(C)C)OC(O3)(C)C","GPBCQGAAWLZWIS-QTJPTHPESA-N",5472346,NA,"PDBC05303","717967","Present",NA,NA
+"5304","(4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-5,12-Dimethyl-3-oxo-17-(2-phenylethoxy)-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R)-4-[(1R,4Z,8E,10Z,12S,15R,17R)-5,12-Dimethyl-3-oxo-17-(2-phenylethoxy)-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl]-1,3-thiazolidin-2-one",NA,"CC1CCC2CC(CC(O2)(C3CSC(=O)N3)OCCC4=CC=CC=C4)OC(=O)C=C(CCC=CC=C1)C","JSGUCQKJFWSGJD-MACQFCPGSA-N",46239554,NA,"PDBC05304","751494","Present",NA,NA
+"5305","(4R)-4-[(1S)-3,3-Diethoxy-1-hydroxy-propyl]-1,3-oxathiolane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R)-4-[(1S)-3,3-Diethoxy-1-hydroxy-propyl]-1,3-oxathiolane-2-thione",NA,"CCOC(CC(C1COC(=S)S1)O)OCC","JEWSOKJFFIJVSC-JGVFFNPUSA-N",6712076,NA,"PDBC05305","655077","Present",NA,NA
+"5306","(4R)-4-[[4-[[4-[2-[4-[[4-[[(4S)-2-Oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenoxy]methyl]-1,3-oxazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R)-4-[[4-[[4-[2-[4-[[4-[[(4S)-2-Oxo-1,3-oxazolidin-4-yl]methoxy]phenyl]methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenoxy]methyl]-1,3-oxazolidin-2-one",NA,"C1C(NC(=O)O1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)CCC4=CC=C(C=C4)N=CC5=CC=C(C=C5)OCC6COC(=O)N6","YGKBPFRHAYVWQJ-MEKGRNQZSA-N",397420,NA,"PDBC05306","705166","Present",NA,NA
+"5307","(4R)-6-(2,4-Dichloro-5-fluorophenyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R)-6-(2,4-Dichloro-5-fluorophenyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione",NA,"COC1=CC=C(C=C1)C2C=C(NC(=S)N2)C3=CC(=C(C=C3Cl)Cl)F","AOXWTYNTCUBDCD-OAHLLOKOSA-N",5472191,NA,"PDBC05307","716879","Present",NA,NA
+"5308","(4R,4As,12bS)-4a-bromo-3-(cyclopropylmethyl)-7,7,9-trimethoxy-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,4As,12bS)-4a-bromo-3-(cyclopropylmethyl)-7,7,9-trimethoxy-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline",NA,"COC1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C(C=C5)(OC)OC)Br)C=C1","YZTKIGBYJCSXII-GVVUEQADSA-N",6711281,NA,"PDBC05308","611274","Present",NA,NA
+"5309","(4R,4As,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol;2,3-dihydroxybutanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,4As,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol;2,3-dihydroxybutanedioic acid",NA,"CN1CCC23C4C(CCC2(C1CC5=C3C(=C(C=C5)OC)O4)O)O.C(C(C(=O)O)O)(C(=O)O)O","VGMFWEOFABLKOH-GQLHWMNBSA-N",6712734,NA,"PDBC05309","707492","Present",NA,NA
+"5310","(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-hydroxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-hydroxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride",NA,"C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)C7=CC(=CC=C7)O)O5)O.Cl","UCKSPSIMHIITIH-IAFVTLROSA-N",5471398,NA,"PDBC05310","711018","Present",NA,NA
+"5311","(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-methoxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-(3-methoxyphenyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",NA,"COC1=CC=CC(=C1)C2=C3C4=C(CC5C6(C4(CCN5CC7CC7)C(O3)C(=O)CC6)O)C=C2","ALKJHIRJEJQZCJ-LHIMOPHOSA-N",5471395,NA,"PDBC05311","711016","Present",NA,NA
+"5312","(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-phenyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,4As,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-9-phenyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one;hydrochloride",NA,"C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)C7=CC=CC=C7)O5)O.Cl","FMZQXWPOPSZCQK-IAFVTLROSA-N",5471385,NA,"PDBC05312","711011","Present",NA,NA
+"5313","(4R,5S)-3-[(1R,2R,3R)-3-Hydroxy-3-methyl-2-(phenylmethoxymethyl)cyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,5S)-3-[(1R,2R,3R)-3-Hydroxy-3-methyl-2-(phenylmethoxymethyl)cyclobutyl]-4,5-diphenyl-1,3-oxazolidin-2-one",NA,"CC1(CC(C1COCC2=CC=CC=C2)N3C(C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5)O","PIKWIUCLEUMGAN-BKVOUIBNSA-N",400576,NA,"PDBC05313","712699","Present",NA,NA
+"5314","(4R,5S)-3-[(S)-1-Oxo-2-[[bis(methylthio)methylene]amino]-4-pentenyl]-1,5-dimethyl-4-phenylimidazolidine-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,5R)-1-[(2S)-2-[Bis(methylsulfanyl)methylideneamino]pent-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one",NA,"CC1C(N(C(=O)N1C)C(=O)C(CC=C)N=C(SC)SC)C2=CC=CC=C2","PSORLGXQXWIAMV-BPUTZDHNSA-N",401244,NA,"PDBC05314","714451","Present",NA,NA
+"5315","(4R,5S)-4-Methyl-3-(2-methylpropanoyl)-5-phenyl-1,3-oxazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,5S)-4-Methyl-3-(2-methylpropanoyl)-5-phenyl-1,3-oxazolidin-2-one",NA,"CC1C(OC(=O)N1C(=O)C(C)C)C2=CC=CC=C2","FYOLDOBRYADSOQ-ZYHUDNBSSA-N",357742,NA,"PDBC05315","617263","Present",NA,NA
+"5316","(4R,6S,9E)-6,10-Dimethyl-13-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(17),9-dien-16-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,6S,9E)-6,10-Dimethyl-13-prop-1-en-2-yl-5,15-dioxatricyclo[12.2.1.04,6]heptadeca-1(17),9-dien-16-one",NA,"CC1=CCCC2(C(O2)CCC3=CC(C(CC1)C(=C)C)OC3=O)C","BWXZMHLZAGUSQW-PVCCPOOOSA-N",24203410,NA,"PDBC05316","727920","Present",NA,NA
+"5317","(4R,7Ar,12bS)-9-methoxy-2,3,4,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,7Ar,12bS)-9-methoxy-2,3,4,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol",NA,"COC1=C2C3=C(CC4C5(C3(CCN4)C(O2)C(CC5)O)O)C=C1","KFWOOLJUSYSBAD-FWSKSMIUSA-N",6712733,NA,"PDBC05317","707491","Present",NA,NA
+"5318","(4R,7S,10S,13S,15E,17R,19S)-7-[(3-Bromo-4-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,7S,10S,13S,15E,17R,19S)-7-[(3-Bromo-4-hydroxyphenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone",NA,"CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)Br)C3=CC=C(C=C3)O)C","JIHNXPGNCSRXCP-ISDDBSQYSA-N",5469770,NA,"PDBC05318","692743","Present",NA,NA
+"5319","(4R,7S,10S,13S,15E,17R,19S)-7-[(4-Hydroxy-3-iodophenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,7S,10S,13S,15E,17R,19S)-7-[(4-Hydroxy-3-iodophenyl)methyl]-4-(4-hydroxyphenyl)-8,10,13,15,17,19-hexamethyl-1-oxa-5,8,11-triazacyclononadec-15-ene-2,6,9,12-tetrone",NA,"CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)I)C3=CC=C(C=C3)O)C","XMXDDGCAJMJKDM-ISDDBSQYSA-N",5469771,NA,"PDBC05319","692744","Present",NA,NA
+"5320","(4R,8R,12R)-4,8,12-Tris(benzyloxymethyl)-1,5,9-triazacyclododecane-2,6,10-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4R,8R,12R)-4,8,12-Tris(benzyloxymethyl)-1,5,9-triazacyclododecane-2,6,10-trione",NA,"C1C(NC(=O)CC(NC(=O)CC(NC1=O)COCC2=CC=CC=C2)COCC3=CC=CC=C3)COCC4=CC=CC=C4","VUKURJNDEHKATH-IDZRBWSNSA-N",403120,NA,"PDBC05320","717707","Present",NA,NA
+"5321","(4S)-1-Acetyl-2-oxoimidazolidine-4-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S)-1-Acetyl-2-oxoimidazolidine-4-carboxylic acid methyl ester",NA,"CC(=O)N1CC(NC1=O)C(=O)OC","TXCMRFRRAYRMGM-YFKPBYRVSA-N",385474,NA,"PDBC05321","676705","Present",NA,NA
+"5322","(4S)-3-Ethenyl-4-phenyloxazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648848",NA,"C=CN1C(COC1=O)C2=CC=CC=C2","SKPGTFFDNHRLGI-SNVBAGLBSA-N",6711953,NA,"PDBC05322","648848","Present",NA,NA
+"5323","(4S)-3-Methyl-4-phenylmethoxycyclohexan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S)-3-Methyl-4-phenylmethoxycyclohexan-1-one",NA,"CC1CC(=O)CCC1OCC2=CC=CC=C2","VSVQOQRPJLWUPY-IAXJKZSUSA-N",359579,NA,"PDBC05323","620571","Present",NA,NA
+"5324","(4S)-3-[(2R,3S)-2-Ethoxy-5-oxo-2-(phenylmethoxymethyl)oxolan-3-yl]-4-phenyl-1,3-oxazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4s)-3-[(2r,3s)-2-(Benzyloxymethyl)-2-ethoxy-5-oxo-tetrahydrofuran-3-yl]-4-phenyl-oxazolidin-2-one",NA,"CCOC1(C(CC(=O)O1)N2C(COC2=O)C3=CC=CC=C3)COCC4=CC=CC=C4","GCLSIAJDPIGHKU-QTEQDKRBSA-N",396645,NA,"PDBC05324","703159","Present",NA,NA
+"5325","(4S)-3-[(Z)-2-Benzamido-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S)-3-[(Z)-2-Benzamido-3-(4,5-dihydro-1,3-thiazol-2-ylamino)prop-2-enoyl]-1,3-thiazolidine-4-carboxylic acid",NA,"C1CSC(=N1)NC=C(C(=O)N2CSCC2C(=O)O)NC(=O)C3=CC=CC=C3","UQHXCLLPUTZKEH-LLBKUYECSA-N",5470523,NA,"PDBC05325","702424","Present",NA,NA
+"5326","(4S)-4-(4-Methoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656706",NA,"COC1=CC=C(C=C1)C2CC(=O)N2","CESNFZGXKRIXRB-VIFPVBQESA-N",376172,NA,"PDBC05326","656706","Present",NA,NA
+"5327","(4S)-5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S)-5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-4-prop-2-enoxy-4-prop-2-enyloxolane-2,3-dione",NA,"CC1(OCC(O1)C2C(C(=O)C(=O)O2)(CC=C)OCC=C)C","NDVPZBSZQZALOE-MBRGGSNBSA-N",386049,NA,"PDBC05327","677616","Present",NA,NA
+"5328","(4S)-9alpha-Hydroxy-2-methoxy-4abeta,9,9abeta,10-tetrahydrospiro[anthracene-4(1H),2'-oxolane]-1,5'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,4Ar,9R,9aR)-9-hydroxy-2-methoxyspiro[4a,9,9a,10-tetrahydroanthracene-4,5'-oxolane]-1,2'-dione",NA,"COC1=CC2(CCC(=O)O2)C3CC4=CC=CC=C4C(C3C1=O)O","NRTWWORCIYYHQH-GMLZMKKNSA-N",6712777,NA,"PDBC05328","710745","Present",NA,NA
+"5329","(4S)-Parectadial",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S)-Parectadial",NA,"C=C(C=O)C1CCC(=CC1)C=O","LMTPRFICCZFNBL-SNVBAGLBSA-N",23625545,NA,"PDBC05329","746540","Present",NA,NA
+"5330","(4S,4As,5aR,12aR)-4-amino-8-[(2S)-1-ethylpyrrolidin-2-yl]-1,10,11,12a-tetrahydroxy-7-methoxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,4aS,5aR,12aS)-4-amino-8-[(2S)-1-ethylpyrrolidin-2-yl...",NA,"CCN1CCCC1C2=CC(=C3C(=C2OC)CC4CC5C(C(=O)C(=C(C5(C(=O)C4=C3O)O)O)C(=O)N)N)O","OLTNQCKDPZMTLV-OSGLLZLXSA-N",155812139,NA,"PDBC05330","794946","Present",NA,NA
+"5331","(4S,4As,5aR,12aR)-7-chloro-8-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,4aS,5aR,12aS)-7-chloro-4-(dimethylamino)-3,10,12,12a...",NA,"CN(C)C1C2CC3CC4=C(C(=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)CN5CCC6=CC=CC=C6C5)Cl","WKGBVEDAADHWIU-QAEYPGILSA-N",67818301,NA,"PDBC05331","794947","Present",NA,NA
+"5332","(4S,4As,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-N-[(6-sulfanylidene-3,7-dihydropurin-8-yl)methyl]-4,4a,5,5a-tetrahydrotetracene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,...",NA,"CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCC5=NC6=C(N5)C(=S)N=CN6)N(C)C)O","JZNXUJPGOSLWCL-QNQAYYCOSA-N",54706004,NA,"PDBC05332","67588","Present",NA,NA
+"5333","(4S,4As,5aS,6S,12aR)-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-N-[[(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)amino]methyl]-4,4a,5,5a-tetrahydrotetracene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthacenecarboxamide, N-[(6,7-dihydro-7-oxo-v-triazo...",NA,"CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCNC5=NC6=NNN=C6C(=O)N5)N(C)C)O","LFFMUKHLXGZVEC-YJQNBQOQSA-N",135422275,NA,"PDBC05333","67586","Present",NA,NA
+"5334","(4S,5-Bis(phenylmethoxy)-2,6-octadiene-1,8-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,5S)-4,5-bis(phenylmethoxy)-2,6-octadiene-1,8-diol",NA,"C1=CC=C(C=C1)COC(C=CCO)C(C=CCO)OCC2=CC=CC=C2","FNXJSYYICOKACB-SQBSDWFCSA-N",5468987,NA,"PDBC05334","680772","Present",NA,NA
+"5335","(4S,5R)-1,1-Dioxodithiane-4,5-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DITHIANE DIOL",NA,"C1C(C(CS(=O)(=O)S1)O)O","HEDDKNPLYXIIDO-DMTCNVIQSA-N",361189,NA,"PDBC05335","624151","Present",NA,NA
+"5336","(4S,6R,7S,9E)-6,16-Dihydroxy-4-[(6-methoxypyridin-3-yl)methyl]-7-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,6R,7S,9E)-6,16-Dihydroxy-4-[(6-methoxypyridin-3-yl)methyl]-7-methyl-3-oxabicyclo[10.4.0]hexadeca-1(12),9,13,15-tetraen-2-one",NA,"CC1CC=CCC2=C(C(=CC=C2)O)C(=O)OC(CC1O)CC3=CN=C(C=C3)OC","JNKIUALTDDIIPQ-DZLHGEMNSA-N",24204949,NA,"PDBC05336","733632","Present",NA,NA
+"5337","(4S,6S)-1,3,4,6-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,6S)-1,3,4,6-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene",NA,"C1C(C2=C(SC(=C2C1Cl)Cl)Cl)Cl","FRIOLWQFTWFURX-HRFVKAFMSA-N",396941,NA,"PDBC05337","704123","Present",NA,NA
+"5338","(4S,7S,8E,12R)-4,12-Dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,7S,8E,12R)-4,12-Dimethyl-9-propan-2-yl-7-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridec-8-en-6-one",NA,"CC1CCC2C(O2)(CCC(=CC(C(=O)C1)C(=C)C)C(C)C)C","XCLKNXURBGEDOT-UIGJQEFRSA-N",24202895,NA,"PDBC05338","726181","Present",NA,NA
+"5339","(4S,8-Diacetyloxy-2,6-octadiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,5S)-4(tert-butyldimethylsilyoxy)-5-hydroxy-1,8-diace...",NA,"CC(=O)OCC=CC(C(C=CCOC(=O)C)O[Si](C)(C)C(C)(C)C)O","XRPIUKCIFUBHHO-MORPDLRTSA-N",5468986,NA,"PDBC05339","680771","Present",NA,NA
+"5340","(4S,8S,12S,16S)-1,9-Diallyl-4,8,12,16-tetrabenzyl-1,5,9,13-tetraazacyclohexadecane-2,6,10,14-tetraone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,8S,12S,16S)-4,8,12,16-Tetrabenzyl-1,9-bis(prop-2-enyl)-1,5,9,13-tetrazacyclohexadecane-2,6,10,14-tetrone",NA,"C=CCN1C(CC(=O)NC(CC(=O)N(C(CC(=O)NC(CC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)CC=C)CC4=CC=CC=C4)CC5=CC=CC=C5","UMRMGBRAUYLWTN-IWWWZYECSA-N",403842,NA,"PDBC05340","719376","Present",NA,NA
+"5341","(4S,9Ar)-4-hydroxy-1,6,6,9a-tetramethyl-4,5,5a,7,8,9,9b,10-octahydro-3bH-naphtho[2,1-e][2]benzofuran-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,9Ar)-4-hydroxy-1,6,6,9a-tetramethyl-4,5,5a,7,8,9,9b,10-octahydro-3bH-naphtho[2,1-e][2]benzofuran-11-one",NA,"CC1=C2C(=O)CC3C(C2=CO1)C(CC4C3(CCCC4(C)C)C)O","MGKLQGJEMFKJMR-RZVGGAAFSA-N",375817,NA,"PDBC05341","655979","Present",NA,NA
+"5342","(4S,9S)-11-(4-Chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,13,15,17,19-hexaen-11-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,9S)-11-(4-Chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,13,15,17,19-hexaen-11-ol",NA,"C1CCC2C(C1)N=C3N2C(C4=C3C5=CC=CC=C5C=C4)(C6=CC=C(C=C6)Cl)O","HXPZZXPNTMVGEC-GAIPOIILSA-N",403505,NA,"PDBC05342","718505","Present",NA,NA
+"5343","(4S,9S)-2-(4-Chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),12,14,16,18-pentaen-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,9S)-2-(4-Chlorophenyl)-3,10-diazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),12,14,16,18-pentaen-11-one",NA,"C1CCC2C(C1)NC3(N2C(=O)C4=CC5=CC=CC=C5C=C43)C6=CC=C(C=C6)Cl","PYNVTLXVUKBJLL-AJVCAZFQSA-N",403517,NA,"PDBC05343","718518","Present",NA,NA
+"5344","(4Z)-1-Hydroxy-2,2,5,5-tetramethyl-4-(nitromethylene)imidazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-1-Hydroxy-2,2,5,5-tetramethyl-4-(nitromethylene)imidazolidine",NA,"CC1(C(=C[N+](=O)[O-])NC(N1O)(C)C)C","ZHZPQQIGVLXKTM-WAYWQWQTSA-N",3004915,NA,"PDBC05344","661472","Present",NA,NA
+"5345","(4Z)-1-Methyl-4-[(4-nitrophenyl)methylidene]-2-phenylpyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-1-Methyl-4-[(4-nitrophenyl)methylidene]-2-phenylpyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","RRILKACDATXKOV-XGRJIHFXSA-M",5469864,NA,"PDBC05345","693574","Present",NA,NA
+"5346","(4Z)-14,15-Dibromo-2,2,7,7,12,12,17,17-octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),4,8,10,18-pentaene-3,6,13,16-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-14,15-Dibromo-2,2,7,7,12,12,17,17-octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),4,8,10,18-pentaene-3,6,13,16-tetrone",NA,"CC1(C(=O)C=CC(=O)C(C2=CC=C(O2)C(C(=O)C(C(C(=O)C(C3=CC=C1O3)(C)C)Br)Br)(C)C)(C)C)C","WBIQJYVZFHNLRN-KTKRTIGZSA-N",5387613,NA,"PDBC05346","625156","Present",NA,NA
+"5347","(4Z)-2-(1-Piperidyl)-4-(2-thienylmethylene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-(1-Piperidyl)-4-(2-thienylmethylene)-1H-imidazol-5-one",NA,"C1CCN(CC1)C2=NC(=CC3=CC=CS3)C(=O)N2","UEVWZGLBMOJIRG-LUAWRHEFSA-N",135493936,NA,"PDBC05347","684336","Present",NA,NA
+"5348","(4Z)-2-(1-Piperidyl)-4-(p-tolylmethylene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-(1-Piperidyl)-4-(p-tolylmethylene)-1H-imidazol-5-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCCCC3","XPIUHDLWWVNPGB-KAMYIIQDSA-N",135493935,NA,"PDBC05348","684335","Present",NA,NA
+"5349","(4Z)-2-(2-Bromophenyl)-4-(ethoxymethylene)oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-(2-Bromophenyl)-4-(ethoxymethylene)oxazol-5-one",NA,"CCOC=C1C(=O)OC(=N1)C2=CC=CC=C2Br","GLGPMKCVVGWJSE-YFHOEESVSA-N",3000672,NA,"PDBC05349","636341","Present",NA,NA
+"5350","(4Z)-2-(3,4-Dichlorophenyl)-4-(ethoxymethylene)oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-(3,4-Dichlorophenyl)-4-(ethoxymethylene)oxazol-5-one",NA,"CCOC=C1C(=O)OC(=N1)C2=CC(=C(C=C2)Cl)Cl","CCCAUVRNKDDVJZ-POHAHGRESA-N",3004214,NA,"PDBC05350","636347","Present",NA,NA
+"5351","(4Z)-2-(3-Chloroanilino)-4-[(3,4-dichlorophenyl)methylidene]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-(3-Chloroanilino)-4-[(3,4-dichlorophenyl)methylidene]-1H-imidazol-5-one",NA,"C1=CC(=CC(=C1)Cl)NC2=NC(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)N2","GSASNHVHKRZPFA-AUWJEWJLSA-N",135436263,NA,"PDBC05351","716496","Present",NA,NA
+"5352","(4Z)-2-(3-Chlorophenyl)-4-[[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]methylidene]-5-methylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-(3-Chlorophenyl)-4-[[1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]methylidene]-5-methylpyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CN(C3=CC=CC=C32)CC(CN4CCCCC4)O)C5=CC(=CC=C5)Cl","AVGWBOLBKYZGQW-QFEZKATASA-N",60147917,NA,"PDBC05352","753145","Present",NA,NA
+"5353","(4Z)-2-(4-Aminophenyl)-4-[(3-aminophenyl)methylene]oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-(4-Aminophenyl)-4-[(3-aminophenyl)methylene]oxazol-5-one",NA,"C1=CC(=CC(=C1)N)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)N","BMYBBEVYUGMUQA-ZROIWOOFSA-N",5387472,NA,"PDBC05353","623910","Present",NA,NA
+"5354","(4Z)-2-(4-Aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-(4-Aminophenyl)-4-[[4-(dimethylamino)phenyl]methylidene]-1,3-oxazol-5-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)N","ZYMFONSCOMKYTL-WJDWOHSUSA-N",5387192,NA,"PDBC05354","621490","Present",NA,NA
+"5355","(4Z)-2-(4-Chlorobenzoyl)-4-[(2,4-dihydroxy-1-naphthyl)methylene]-5-methyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-(4-Chlorobenzoyl)-4-[(2,4-dihydroxy-1-naphthyl)methylene]-5-methyl-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1)C(=O)C2=CC=C(C=C2)Cl)C=C3C4=CC=CC=C4C(=O)C=C3O","HRBHOLCOPKENKE-ZDLGFXPLSA-N",5465538,NA,"PDBC05355","652191","Present",NA,NA
+"5356","(4Z)-2-Anilino-4-[(2,6-dichlorophenyl)methylene]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Phenylamino]-4-(2,6-dichlorobenzylidene)-1H-imidazole-5(4H)-one",NA,"C1=CC=C(C=C1)NC2=NC(=CC3=C(C=CC=C3Cl)Cl)C(=O)N2","KTBPRJSAQNVVMB-ZROIWOOFSA-N",135436265,NA,"PDBC05356","716498","Present",NA,NA
+"5357","(4Z)-2-Butylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Butylsulfanyl-4-(furan-2-ylmethylidene)-1H-imidazol-5-one",NA,"CCCCSC1=NC(=CC2=CC=CO2)C(=O)N1","KDSYLRQDBXLJCG-NTMALXAHSA-N",135505222,NA,"PDBC05357","706023","Present",NA,NA
+"5358","(4Z)-2-Butylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Butylsulfanyl-4-[(2-hydroxyphenyl)methylidene]-1H-imidazol-5-one",NA,"CCCCSC1=NC(=CC2=CC=CC=C2O)C(=O)N1","CDTMJWQVQDLPGK-LUAWRHEFSA-N",135505212,NA,"PDBC05358","704871","Present",NA,NA
+"5359","(4Z)-2-Hydrazino-4-[(2-hydroxyphenyl)methylene]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Hydrazino-4-[(2-hydroxyphenyl)methylene]-1H-imidazol-5-one",NA,"C1=CC=C(C(=C1)C=C2C(=O)NC(=N2)NN)O","ZQWSTWAHDJCBPC-ALCCZGGFSA-N",135494018,NA,"PDBC05359","691980","Present",NA,NA
+"5360","(4Z)-2-Methyl-4-pyridin-2-yliminobenzo[f][1,3]benzoxazol-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Methyl-4-pyridin-2-yliminobenzo[f][1,3]benzoxazol-9-one",NA,"CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4=CC=CC=N4","STSWKZPCZLWPBD-ZHZULCJRSA-N",9571984,NA,"PDBC05360","682435","Present",NA,NA
+"5361","(4Z)-2-Methylsulfanyl-4-(p-tolylmethylene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Methylsulfanyl-4-(p-tolylmethylene)-1H-imidazol-5-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)SC","JRWSDJXMKPOFRX-YFHOEESVSA-N",135484995,NA,"PDBC05361","684332","Present",NA,NA
+"5362","(4Z)-2-Morpholino-4-(2-thienylmethylene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Morpholino-4-(2-thienylmethylene)-1H-imidazol-5-one",NA,"C1COCCN1C2=NC(=CC3=CC=CS3)C(=O)N2","OELMVZUPDJYSLN-NTMALXAHSA-N",135493955,NA,"PDBC05362","684355","Present",NA,NA
+"5363","(4Z)-2-Morpholino-4-(p-tolylmethylene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Morpholino-4-(p-tolylmethylene)-1H-imidazol-5-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCOCC3","RZWPFFRVIPCUTO-RAXLEYEMSA-N",135493958,NA,"PDBC05363","684358","Present",NA,NA
+"5364","(4Z)-2-Phenyl-4-[(2,4,6-trihydroxyphenyl)methylene]oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Phenyl-4-[(2,4,6-trihydroxyphenyl)methylene]oxazol-5-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=C(C=C(C=C3O)O)O)C(=O)O2","HBPJBCVFXXCNNI-WQLSENKSSA-N",5387543,NA,"PDBC05364","624449","Present",NA,NA
+"5365","(4Z)-2-Phenyl-4-pyrrolidin-2-ylidene-5-(1H-pyrrol-2-yl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Phenyl-4-pyrrolidin-2-ylidene-5-(1H-pyrrol-2-yl)pyrazol-3-one",NA,"C1CC(=NC1)C2=C(NN(C2=O)C3=CC=CC=C3)C4=CC=CN4","ZCOABKTZTXMCIL-UHFFFAOYSA-N",392534,NA,"PDBC05365","693050","Present",NA,NA
+"5366","(4Z)-2-Tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Tert-butyl-5,7-dimethoxy-4-(phenylsulfanylmethylidene)-1H-isoquinolin-3-one",NA,"CC(C)(C)N1CC2=C(C(=CC(=C2)OC)OC)C(=CSC3=CC=CC=C3)C1=O","BTVJZKDAGKMZLM-JXAWBTAJSA-N",5470814,NA,"PDBC05366","705333","Present",NA,NA
+"5367","(4Z)-2-[(2E)-2-(1H-Indol-3-ylmethylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-[(2E)-2-(1H-Indol-3-ylmethylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one",NA,"C1=CC=C2C(=C1)C(=CN2)C=NNC3=NC(=CC4=CC=CS4)C(=O)N3","XSXCFOJWXALSHG-LXNAZNJWSA-N",135440628,NA,"PDBC05367","704857","Present",NA,NA
+"5368","(4Z)-2-[(2E)-2-(2,3,4,5,6-Pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-[(2E)-2-(2,3,4,5,6-Pentahydroxyhexylidene)hydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one",NA,"C1=CSC(=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","MAGJUPNOVKSNDM-HRKCWBCCSA-N",135505207,NA,"PDBC05368","704860","Present",NA,NA
+"5369","(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-(furan-2-ylmethylidene)-1H-imidazol-5-one",NA,"C1=CC=C(C=C1)C=NNC2=NC(=CC3=CC=CO3)C(=O)N2","JBVSHLLXEPXXIV-XMHXKSDUSA-N",135450762,NA,"PDBC05369","706026","Present",NA,NA
+"5370","(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-(thiophen-2-ylmethylidene)-1H-imidazol-5-one",NA,"C1=CC=C(C=C1)C=NNC2=NC(=CC3=CC=CS3)C(=O)N2","LMZNIZZDKFTZDP-XMHXKSDUSA-N",135407733,NA,"PDBC05370","704854","Present",NA,NA
+"5371","(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-[(2E)-2-Benzylidenehydrazinyl]-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=CC=C3","KZPGSLSYDJTVPH-XYGMCREWSA-N",135505224,NA,"PDBC05371","706028","Present",NA,NA
+"5372","(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-(2-thienylmethylene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-(2-thienylmethylene)-1H-imidazol-5-one",NA,"C1CC(CN(C1)C2=NC(=CC3=CC=CS3)C(=O)N2)CO","NEQDBUMMSAARDM-GHXNOFRVSA-N",135493943,NA,"PDBC05372","684343","Present",NA,NA
+"5373","(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-(p-tolylmethylene)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-(p-tolylmethylene)-1H-imidazol-5-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCCC(C3)CO","FUTXWLHZIYPGQM-DHDCSXOGSA-N",135493942,NA,"PDBC05373","684342","Present",NA,NA
+"5374","(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-[(4-hydroxyphenyl)methylene]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-[(4-hydroxyphenyl)methylene]-1H-imidazol-5-one",NA,"C1CC(CN(C1)C2=NC(=CC3=CC=C(C=C3)O)C(=O)N2)CO","QATKHRHCBVOOIM-ZSOIEALJSA-N",135493944,NA,"PDBC05374","684344","Present",NA,NA
+"5375","(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-[(4-methoxyphenyl)methylene]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-[3-(Hydroxymethyl)-1-piperidyl]-4-[(4-methoxyphenyl)methylene]-1H-imidazol-5-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCCC(C3)CO","IUVAWDVDMAMFQQ-DHDCSXOGSA-N",135493940,NA,"PDBC05375","684340","Present",NA,NA
+"5376","(4Z)-2-[Chloro(phenyl)methyl]-4-(ethoxymethylene)oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-[Chloro(phenyl)methyl]-4-(ethoxymethylene)oxazol-5-one",NA,"CCOC=C1C(=O)OC(=N1)C(C2=CC=CC=C2)Cl","UCDJNAAUMIQNQM-NTMALXAHSA-N",3000673,NA,"PDBC05376","636346","Present",NA,NA
+"5377","(4Z)-3,3,5-Triethyl-1-hydroxy-4-hydroxyimino-5-vinyl-pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-3,3,5-Triethyl-1-hydroxy-4-hydroxyimino-5-vinyl-pyrrolidin-2-one",NA,"CCC1(C(=NO)C(N(C1=O)O)(CC)C=C)CC","IRSVLDUDCDYSRS-LCYFTJDESA-N",9570024,NA,"PDBC05377","633480","Present",NA,NA
+"5378","(4Z)-4-(1,3-Benzodioxol-5-ylmethylene)isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(1,3-Benzodioxol-5-ylmethylene)isoquinoline-1,3-dione",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C4=CC=CC=C4C(=O)NC3=O","YQAYURQPWKSPDG-QPEQYQDCSA-N",5469072,NA,"PDBC05378","682563","Present",NA,NA
+"5379","(4Z)-4-(1-Methylpyrrolidin-2-ylidene)-2-phenyl-5-(1H-pyrrol-2-yl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(1-Methylpyrrolidin-2-ylidene)-2-phenyl-5-(1H-pyrrol-2-yl)pyrazol-3-one",NA,"CN1CCCC1=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CN4","QOHDNECQTLUWCS-NXVVXOECSA-N",135494023,NA,"PDBC05379","694954","Present",NA,NA
+"5380","(4Z)-4-(2-Furylmethylene)-2-(1-piperidyl)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(2-Furylmethylene)-2-(1-piperidyl)-1H-imidazol-5-one",NA,"C1CCN(CC1)C2=NC(=CC3=CC=CO3)C(=O)N2","WIEFYYYEPSSZHM-LUAWRHEFSA-N",135493938,NA,"PDBC05380","684338","Present",NA,NA
+"5381","(4Z)-4-(2-Furylmethylene)-2-hydrazino-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(2-Furylmethylene)-2-hydrazino-1H-imidazol-5-one",NA,"C1=COC(=C1)C=C2C(=O)NC(=N2)NN","RKRQFFNKFZKXRK-XQRVVYSFSA-N",135494002,NA,"PDBC05381","690963","Present",NA,NA
+"5382","(4Z)-4-(2-Furylmethylene)-2-morpholino-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(2-Furylmethylene)-2-morpholino-1H-imidazol-5-one",NA,"C1COCCN1C2=NC(=CC3=CC=CO3)C(=O)N2","GIRLTLLUUVVRRH-NTMALXAHSA-N",135493956,NA,"PDBC05382","684356","Present",NA,NA
+"5383","(4Z)-4-(2-Furylmethylene)-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(2-Furylmethylene)-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC=CO2)C(=O)CC3=CC=CC=C3","OMOHSILMBNIQKR-PTNGSMBKSA-N",5467435,NA,"PDBC05383","652200","Present",NA,NA
+"5384","(4Z)-4-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-5-methyl-2-phenyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-5-methyl-2-phenyl-pyrazol-3-one",NA,"CC1=NN(C(=O)C1=C2C3=CC=CC=C3C(S2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","YGLGYZMZGFRWLS-DQSJHHFOSA-N",3004519,NA,"PDBC05384","658175","Present",NA,NA
+"5385","(4Z)-4-(3,4-Dichlorobenzylidene)-2-(2-furyl)-1,3-oxazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(3,4-Dichlorobenzylidene)-2-(2-furyl)-1,3-oxazol-5(4H)-one",NA,"C1=COC(=C1)C2=NC(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)O2","DLQGKIOQLWXJIL-XFFZJAGNSA-N",5351262,NA,"PDBC05385","202000","Present",NA,NA
+"5386","(4Z)-4-(4-Chlorobenzylidene)-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5(4H)-Oxazolone, 4-[(4-chlorophenyl)methylene]-2-(4-nitr...",NA,"C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])Cl","MZYTVWRLTXNNSE-ZROIWOOFSA-N",695905,NA,"PDBC05386","201736","Present",NA,NA
+"5387","(4Z)-4-(Carbamothioylhydrazinylidene)-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(Carbamothioylhydrazinylidene)-N,1-bis(2-methylphenyl)-2,5-dioxopyrrolidine-3-carboxamide",NA,"CC1=CC=CC=C1NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=CC=CC=C3C","IWGALPMHLJKRMA-KQWNVCNZSA-N",9569829,NA,"PDBC05387","621157","Present",NA,NA
+"5388","(4Z)-4-(Carbamothioylhydrazinylidene)-N,1-bis(3,4-dimethylphenyl)-2,5-dioxopyrrolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(Carbamothioylhydrazinylidene)-N,1-bis(3,4-dimethylphenyl)-2,5-dioxopyrrolidine-3-carboxamide",NA,"CC1=C(C=C(C=C1)NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)C","ZVYPPMGYVRQINL-BWAHOGKJSA-N",9569830,NA,"PDBC05388","621160","Present",NA,NA
+"5389","(4Z)-4-(Dimethylhydrazono)-1,1,1-trifluoro-4-(3-methoxyphenyl)-2-(trifluoromethyl)butan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(Dimethylhydrazono)-1,1,1-trifluoro-4-(3-methoxyphenyl)-2-(trifluoromethyl)butan-2-ol",NA,"CN(C)N=C(CC(C(F)(F)F)(C(F)(F)F)O)C1=CC(=CC=C1)OC","IDIWYAFOWKHUEL-NHDPSOOVSA-N",9571446,NA,"PDBC05389","664341","Present",NA,NA
+"5390","(4Z)-4-(Dimethylhydrazono)-1,1,1-trifluoro-4-(4-nitrophenyl)-2-(trifluoromethyl)butan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(Dimethylhydrazono)-1,1,1-trifluoro-4-(4-nitrophenyl)-2-(trifluoromethyl)butan-2-ol",NA,"CN(C)N=C(CC(C(F)(F)F)(C(F)(F)F)O)C1=CC=C(C=C1)[N+](=O)[O-]","AOPUDTOSBKIPBX-JMIUGGIZSA-N",5920139,NA,"PDBC05390","664340","Present",NA,NA
+"5391","(4Z)-4-(Furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(Furan-2-ylmethylidene)-2-(2-phenylhydrazinyl)-1H-imidazol-5-one",NA,"C1=CC=C(C=C1)NNC2=NC(=CC3=CC=CO3)C(=O)N2","GCTJNKUTZIFIJT-XFXZXTDPSA-N",135505223,NA,"PDBC05391","706025","Present",NA,NA
+"5392","(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5,6-pentahydroxyhexylidene)hydrazinyl]-1H-imidazol-5-one",NA,"C1=COC(=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","MGLDYSSXJJJUEU-HRKCWBCCSA-N",135505206,NA,"PDBC05392","704859","Present",NA,NA
+"5393","(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(2,3,4,5-tetrahydroxypentylidene)hydrazinyl]-1H-imidazol-5-one",NA,"C1=COC(=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O","NSUPLEXBOCFUFS-NYQUBNGWSA-N",135505209,NA,"PDBC05393","704862","Present",NA,NA
+"5394","(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(Furan-2-ylmethylidene)-2-[(2E)-2-(thiophen-2-ylmethylidene)hydrazinyl]-1H-imidazol-5-one",NA,"C1=COC(=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=CS3","PJHSHEKNGQKUIX-WIFBXHMDSA-N",135471536,NA,"PDBC05394","704856","Present",NA,NA
+"5395","(4Z)-4-(Furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(Furan-2-ylmethylidene)-2-propylsulfanyl-1H-imidazol-5-one",NA,"CCCSC1=NC(=CC2=CC=CO2)C(=O)N1","PVGOLORXGVPNHA-CLFYSBASSA-N",135505218,NA,"PDBC05395","704877","Present",NA,NA
+"5396","(4Z)-4-Benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-Benzylidene-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=CC=C4)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","LHSILRBCRDZVTK-PLMZOXRSSA-M",5469866,NA,"PDBC05396","693575","Present",NA,NA
+"5397","(4Z)-4-Benzylidene-2-(1-piperidyl)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-Benzylidene-2-(1-piperidyl)-1H-imidazol-5-one",NA,"C1CCN(CC1)C2=NC(=CC3=CC=CC=C3)C(=O)N2","DHDTXFMVVIDZQQ-QBFSEMIESA-N",135493933,NA,"PDBC05397","684333","Present",NA,NA
+"5398","(4Z)-4-Benzylidene-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-Benzylidene-2-(4-chlorophenyl)-1,3-oxazol-5(4H)-one",NA,"C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)Cl","KFOCYQMPTOGCSL-UVTDQMKNSA-N",5706050,NA,"PDBC05398","148172","Present",NA,NA
+"5399","(4Z)-4-Benzylidene-2-[3-(hydroxymethyl)-1-piperidyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-Benzylidene-2-[3-(hydroxymethyl)-1-piperidyl]-1H-imidazol-5-one",NA,"C1CC(CN(C1)C2=NC(=CC3=CC=CC=C3)C(=O)N2)CO","LYEROMREEBOERO-ZROIWOOFSA-N",135493939,NA,"PDBC05399","684339","Present",NA,NA
+"5400","(4Z)-4-Benzylidene-2-morpholino-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK664244",NA,"C1COCCN1C2=NC(=CC3=CC=CC=C3)C(=O)N2","ISBBROSCHSZFHK-BENRWUELSA-N",135493952,NA,"PDBC05400","684352","Present",NA,NA
+"5401","(4Z)-4-Benzylidene-7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-Benzylidene-7-methyl-1,1-dioxo-2,3-dihydro-1$l^{6}-benzothiepin-5-one",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC(=CC3=CC=CC=C3)C2=O","LXZWDAWTTUFPMD-QINSGFPZSA-N",5469701,NA,"PDBC05401","691567","Present",NA,NA
+"5402","(4Z)-4-Benzylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),5,11-triene-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-Benzylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),5,11-triene-3,9-dione",NA,"C1=CC=C(C=C1)C=C2C(=O)N3C4=C(C(=O)NC=N4)SC3=N2","ZMSKJGKLUVYUKZ-TWGQIWQCSA-N",135493961,NA,"PDBC05402","684400","Present",NA,NA
+"5403","(4Z)-4-Hydrazinylidene-2,5-dioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-Hydrazinylidene-2,5-dioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2C(=NN)C(=O)N(C2=O)CCC3=CC=CC=C3","SNIXUUSVOADQCO-MOHJPFBDSA-N",5908763,NA,"PDBC05403","621159","Present",NA,NA
+"5404","(4Z)-4-[(2,5-Dichlorophenyl)methylene]-2-phenyl-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(2,5-Dichlorophenyl)methylene]-2-phenyl-oxazol-5-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=C(C=CC(=C3)Cl)Cl)C(=O)O2","UZTSALONRCHSCZ-ZROIWOOFSA-N",5388017,NA,"PDBC05404","630887","Present",NA,NA
+"5405","(4Z)-4-[(2-Chlorophenyl)methylene]-2-[(4-fluorophenyl)methylamino]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(2-Chlorophenyl)methylene]-2-[(4-fluorophenyl)methylamino]-1H-imidazol-5-one",NA,"C1=CC=C(C(=C1)C=C2C(=O)NC(=NCC3=CC=C(C=C3)F)N2)Cl","HEIUUWQXHLAUMW-DHDCSXOGSA-N",135436197,NA,"PDBC05405","713592","Present",NA,NA
+"5406","(4Z)-4-[(2-Hydroxy-1-naphthyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(2-Hydroxy-1-naphthyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,"CC1=C(C(=O)N(N1)C(=O)CC2=CC=CC=C2)C=C3C(=O)C=CC4=CC=CC=C43","HFWIHSANEYYNGB-ZHZULCJRSA-N",5465542,NA,"PDBC05406","652202","Present",NA,NA
+"5407","(4Z)-4-[(2-Hydroxyphenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(2-Hydroxyphenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one",NA,"C1CCN(CC1)C2=NC(=CC3=CC=CC=C3O)C(=O)N2","CRLSHISSTRDMDV-BENRWUELSA-N",135493959,NA,"PDBC05407","684374","Present",NA,NA
+"5408","(4Z)-4-[(2-Hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(2-Hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one",NA,"C1COCCN1C2=NC(=CC3=CC=CC=C3O)C(=O)N2","LXDQCWZMGYHSRZ-LUAWRHEFSA-N",135493960,NA,"PDBC05408","684375","Present",NA,NA
+"5409","(4Z)-4-[(2-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(2-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC=CC=C2O)C(=O)CC3=CC=CC=C3","GZGQOCYODSZNHY-VBKFSLOCSA-N",135499339,NA,"PDBC05409","652193","Present",NA,NA
+"5410","(4Z)-4-[(2-Hydroxyphenyl)methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(2-Hydroxyphenyl)methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one",NA,"C1=CC=C(C=C1)NNC2=NC(=CC3=CC=CC=C3O)C(=O)N2","CJSWZAXLFCTHGQ-RAXLEYEMSA-N",135505214,NA,"PDBC05410","704873","Present",NA,NA
+"5411","(4Z)-4-[(2-Methoxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(2-Methoxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC=CC=C2OC)C(=O)CC3=CC=CC=C3","JEYDXNXMRWPXGG-LGMDPLHJSA-N",5467437,NA,"PDBC05411","652203","Present",NA,NA
+"5412","(4Z)-4-[(3,4-Dimethoxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(3,4-Dimethoxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C(=O)CC3=CC=CC=C3","AWHMCSBDKXWJBK-BOPFTXTBSA-N",5467433,NA,"PDBC05412","652198","Present",NA,NA
+"5413","(4Z)-4-[(3,4-Dimethoxyphenyl)methylene]-6,7-dimethoxy-2-methyl-isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(3,4-Dimethoxyphenyl)methylene]-6,7-dimethoxy-2-methyl-isoquinoline-1,3-dione",NA,"CN1C(=O)C2=CC(=C(C=C2C(=CC3=CC(=C(C=C3)OC)OC)C1=O)OC)OC","GFMBUNRCQVVVFS-ZSOIEALJSA-N",5468998,NA,"PDBC05413","681109","Present",NA,NA
+"5414","(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Isoquinolinedione, 4-[(3,4-dimethoxyphenyl)methylene]-",NA,"COC1=C(C=C(C=C1)C=C2C3=CC=CC=C3C(=O)NC2=O)OC","WOSBOVLYMBDENC-ZROIWOOFSA-N",5467321,NA,"PDBC05414","650599","Present",NA,NA
+"5415","(4Z)-4-[(3-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(3-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=CC=C2)O)C(=O)CC3=CC=CC=C3","QRIGOGMCMBHXSL-BOPFTXTBSA-N",5467431,NA,"PDBC05415","652196","Present",NA,NA
+"5416","(4Z)-4-[(4-Chlorophenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Chlorophenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one",NA,"C1CCN(CC1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2","FVKMICSOLCIMKB-RAXLEYEMSA-N",135493937,NA,"PDBC05416","684337","Present",NA,NA
+"5417","(4Z)-4-[(4-Chlorophenyl)methylene]-2-[3-(hydroxymethyl)-1-piperidyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Chlorophenyl)methylene]-2-[3-(hydroxymethyl)-1-piperidyl]-1H-imidazol-5-one",NA,"C1CC(CN(C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2)CO","BHRTVEFXRLAEGA-ZSOIEALJSA-N",135493941,NA,"PDBC05417","684341","Present",NA,NA
+"5418","(4Z)-4-[(4-Chlorophenyl)methylene]-2-morpholino-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Chlorophenyl)methylene]-2-morpholino-1H-imidazol-5-one",NA,"C1COCCN1C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2","CTGDQSRQCIOSSL-XFXZXTDPSA-N",135493953,NA,"PDBC05418","684353","Present",NA,NA
+"5419","(4Z)-4-[(4-Hydroxy-3-methoxy-phenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Hydroxy-3-methoxy-phenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)O)OC)C(=O)CC3=CC=CC=C3","NYWQZMIMTHVOQS-YBEGLDIGSA-N",135499341,NA,"PDBC05419","652197","Present",NA,NA
+"5420","(4Z)-4-[(4-Hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Hydroxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one",NA,"C1COCCN1C2=NC(=CC3=CC=C(C=C3)O)C(=O)N2","KBQRQNYGGFOQDC-XFXZXTDPSA-N",135493957,NA,"PDBC05420","684357","Present",NA,NA
+"5421","(4Z)-4-[(4-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Hydroxyphenyl)methylene]-5-methyl-2-(2-phenylacetyl)pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C(=O)CC3=CC=CC=C3","DMXHTPQLIBXFEJ-BOPFTXTBSA-N",135499340,NA,"PDBC05421","652194","Present",NA,NA
+"5422","(4Z)-4-[(4-Hydroxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Hydroxyphenyl)methylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one",NA,"C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])O","MUXRKJVUDYSSFT-ZROIWOOFSA-N",5787063,NA,"PDBC05422","201904","Present",NA,NA
+"5423","(4Z)-4-[(4-Methoxyphenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Methoxyphenyl)methylene]-2-(1-piperidyl)-1H-imidazol-5-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCCCC3","IFPFUYKQDOQAKY-KAMYIIQDSA-N",135493934,NA,"PDBC05423","684334","Present",NA,NA
+"5424","(4Z)-4-[(4-Methoxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Methoxyphenyl)methylene]-2-morpholino-1H-imidazol-5-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)N3CCOCC3","GWEABSKVOSVKRI-RAXLEYEMSA-N",135493954,NA,"PDBC05424","684354","Present",NA,NA
+"5425","(4Z)-4-[(4-Methoxyphenyl)methylidene]-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),5,11-triene-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Methoxyphenyl)methylidene]-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),5,11-triene-3,9-dione",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C4=C(C(=O)NC=N4)SC3=N2","RKQGOUPCFVDXSX-POHAHGRESA-N",135493962,NA,"PDBC05425","684401","Present",NA,NA
+"5426","(4Z)-4-[(4-Nitrophenyl)hydrazinylidene]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(4-Nitrophenyl)hydrazinylidene]pentanoic acid",NA,"CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])CCC(=O)O","URXGWHZLEDEINF-WQLSENKSSA-N",6369925,NA,"PDBC05426","23936","Present",NA,NA
+"5427","(4Z)-4-[(5-Hydroxy-1,3-diphenyl-pyrazol-4-yl)methylene]-2,5-diphenyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(5-Hydroxy-1,3-diphenyl-pyrazol-4-yl)methylene]-2,5-diphenyl-pyrazol-3-one",NA,"C1=CC=C(C=C1)C2=NN(C(=O)C2=CC3=C(N(N=C3C4=CC=CC=C4)C5=CC=CC=C5)O)C6=CC=CC=C6","JSSGCLAUFYOTTI-MEFGMAGPSA-N",135494014,NA,"PDBC05427","691427","Present",NA,NA
+"5428","(4Z)-4-[Bromo(iodo)methylidene]-5,8,8-trimethylbicyclo[3.2.1]octan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-Bromoiodomethylidene]-1,8,8-trimethylbicyclo[3.2....",NA,"CC1(C2CCC1(C(=C(Br)I)C(=O)C2)C)C","VAHZRVBELPSBEY-MDZDMXLPSA-N",5468138,NA,"PDBC05428","664946","Present",NA,NA
+"5429","(4Z)-4-[[4-(3,4-Dichlorophenoxy)phenyl]methylene]-2-phenyl-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[[4-(3,4-Dichlorophenoxy)phenyl]methylene]-2-phenyl-oxazol-5-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)OC4=CC(=C(C=C4)Cl)Cl)C(=O)O2","ADPNZQKYVCZNGB-NDENLUEZSA-N",5388020,NA,"PDBC05429","630891","Present",NA,NA
+"5430","(4Z)-4-[[4-(Carboxymethyl)phenyl]hydrazono]-3-keto-2-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthoic acid, 4-[(.alpha.-carboxy-p-tolyl)azo]-3-hyd...",NA,"C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)CC(=O)O)O)C(=O)O","UNQQNQMZKMGLBJ-UHFFFAOYSA-N",291363,NA,"PDBC05430","156563","Present",NA,NA
+"5431","(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-6-ol;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C=C(C=C3)O)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","FCWQEEIPUGZKHR-UHFFFAOYSA-N",5469862,NA,"PDBC05431","693573","Present",NA,NA
+"5432","(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-(2-phenylhydrazinyl)-1H-imidazol-5-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NNC3=CC=CC=C3","SYOPARNWMBYTOQ-VBKFSLOCSA-N",135505216,NA,"PDBC05432","704875","Present",NA,NA
+"5433","(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1H-imidazol-5-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=CC=C3O","WYEJQPADWQZZGG-ULQIOQDBSA-N",135505217,NA,"PDBC05433","704876","Present",NA,NA
+"5434","(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-[(2E)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-1H-imidazol-5-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=C(C=C3)N(C)C","NLSHLNRECJUUDE-JWZHWXDPSA-N",135505225,NA,"PDBC05434","706029","Present",NA,NA
+"5435","(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-hydrazinyl-1H-imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-2-hydrazinyl-1H-imidazol-5-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN","RDAUBZPSUZWKLW-YFHOEESVSA-N",135505215,NA,"PDBC05435","704874","Present",NA,NA
+"5436","(4Z)-4-[[4-[Bis(2-chloroethyl)amino]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxazolin-5-one, 4-[p-[bis(2-chloroethyl)amino] benzyli...",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCCl)CCCl)C(=O)O2","XLPONWKZDMLPSZ-JXAWBTAJSA-N",5351218,NA,"PDBC05436","104117","Present",NA,NA
+"5437","(4Z)-5-Ethenyl-3-ethyl-1-hydroxy-4-hydroxyimino-3,5-dimethylpyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-5-Ethenyl-3-ethyl-1-hydroxy-4-hydroxyimino-3,5-dimethylpyrrolidin-2-one",NA,"CCC1(C(=NO)C(N(C1=O)O)(C)C=C)C","MGUUAICPDWPMKL-XFFZJAGNSA-N",6516262,NA,"PDBC05437","629128","Present",NA,NA
+"5438","(4Z)-5-Methyl-2-(2-phenylacetyl)-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-5-Methyl-2-(2-phenylacetyl)-4-[(3,4,5-trimethoxyphenyl)methylene]pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)CC3=CC=CC=C3","OJNHERKBJWOGLJ-YVLHZVERSA-N",5467436,NA,"PDBC05438","652201","Present",NA,NA
+"5439","(4Z)-5-Methyl-2-(2-phenylacetyl)-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-5-Methyl-2-(2-phenylacetyl)-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC=CC2=CC=CC=C2)C(=O)CC3=CC=CC=C3","ZCLSHQBPZSFVRO-ILPOUQNUSA-N",5908675,NA,"PDBC05439","652199","Present",NA,NA
+"5440","(4Z)-5-Methyl-4-[(4-nitrophenyl)methylidene]-2-(2-phenylacetyl)pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-5-Methyl-4-[(4-nitrophenyl)methylene]-2-(2-phenylacetyl)pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC3=CC=CC=C3","UUPIMSQGFPXGIU-BOPFTXTBSA-N",5467430,NA,"PDBC05440","652195","Present",NA,NA
+"5441","(4Z)-7-Methyl-N-(4-methylphenyl)sulfonyl-5-phenyl-2,6,7,9-tetraza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),2,4,8,10,12-hexaene-4-carboximidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-7-Methyl-N-(4-methylphenyl)sulfonyl-5-phenyl-2,6,7,9-tetraza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),2,4,8,10,12-hexaene-4-carboximidate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=C(C2=C(NN(C3=NC4=CC=CC=[N+]4N=C23)C)C5=CC=CC=C5)[O-]","DSRZZLDPRAAWDA-UHFFFAOYSA-N",135505244,NA,"PDBC05441","708374","Present",NA,NA
+"5442","(4Z)-N-(2H-Tetrazol-5-yl)pyridine-4-carbohydrazonoyl bromide;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-N-(2H-Tetrazol-5-yl)pyridine-4-carbohydrazonoyl bromide;hydrobromide",NA,"C1=CN=CC=C1C(=NNC2=NNN=N2)Br.Br","HPHDESDBESXEST-OTUCAILMSA-N",9601202,NA,"PDBC05442","166598","Present",NA,NA
+"5443","(4Z)-N-(3,4-Dimethylphenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-7,7-dimethyl-6-oxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-N-(3,4-Dimethylphenyl)-4-{[hydrazino(oxo)acetyl]hydrazono}-7,7-dimethyl-6-oxooctanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C(=O)NN)CC(=O)C(C)(C)C)C","VIVLTDBJIFUSLH-IWIPYMOSSA-N",9574383,NA,"PDBC05443","631667","Present",NA,NA
+"5444","(4Z)-N-[(2-Chlorobenzylidene)amino]-4-(dimethylaminohydrazono)-5-methyl-pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-N-[(2-Chlorobenzylidene)amino]-4-(dimethylaminohydrazono)-5-methyl-pyrazole-3-carboxamide",NA,"CC1=C(C(=NN1)C(=O)NN=CC2=CC=CC=C2Cl)N=NN(C)C","XCBMEIMBCIKJPR-HMTBYHENSA-N",135545659,NA,"PDBC05444","131257","Present",NA,NA
+"5445","(4Z,5E)-1-(4-Methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-3-(2-nitrophenyl)imidazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4e,5z)-1-(4-Methoxyphenyl)-4,5-bis[(4-methoxyphenyl)imino]-3-(2-nitrophenyl)imidazolidine-2-thione",NA,"COC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)OC)N(C(=S)N2C4=CC=C(C=C4)OC)C5=CC=CC=C5[N+](=O)[O-]","RLKCLWIJDHJXSF-UHFFFAOYSA-N",383283,NA,"PDBC05445","671397","Present",NA,NA
+"5446","(4Z,5Z)-1-Acridin-9-yl-4,5-bis[[5-(diethylamino)pentan-2-ylamino]-(3-methoxyphenyl)methylidene]diazinane-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z,5Z)-1-(Acridin-9-yl)-4,5-bis[{[(2RS)-5-(diethylamino...",NA,"CCN(CC)CCCC(C)NC(=C1C(=C(C2=CC(=CC=C2)OC)NC(C)CCCN(CC)CC)C(=O)N(NC1=O)C3=C4C=CC=CC4=NC5=CC=CC=C53)C6=CC(=CC=C6)OC","LGTUVORQFXSTHB-NTMZJGNDSA-N",155816291,NA,"PDBC05446","767902","Present",NA,NA
+"5447","(4Z,5Z)-1-[(E)-(2-Hydroxy-4-pyrrolidin-1-yl-phenyl)methyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(2-Hydroxy-4-pyrrolidin-1-ylphenyl)methylideneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione",NA,"C1CCN(C1)C2=CC(=C(C=C2)C=NN3C(=NC4=CC=CC=C4)C(=NC5=CC=CC=C5)N(C3=S)C6=CC=CC=C6)O","FXUKNUIKIUNZFV-LCZBSKGZSA-N",135499661,NA,"PDBC05447","671410","Present",NA,NA
+"5448","(4Z,5Z)-1-[(E)-(2-Hydroxyphenyl)methyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z,5Z)-1-[(E)-(2-Hydroxyphenyl)methyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=S)N2C4=CC=CC=C4)N=CC5=CC=CC=C5O","KWUIQNODWOOZHT-QVDNPPBZSA-N",135509182,NA,"PDBC05448","671409","Present",NA,NA
+"5449","(4Z,5Z)-1-[(E)-9-Anthrylmethyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z,5Z)-1-[(E)-9-Anthrylmethyleneamino]-3-phenyl-4,5-bis(phenylimino)imidazolidine-2-thione",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=S)N2C4=CC=CC=C4)N=CC5=C6C=CC=CC6=CC7=CC=CC=C75","LQKXGPXTSANBOI-MXJWHCOYSA-N",9556175,NA,"PDBC05449","671406","Present",NA,NA
+"5450","(4Z,6Z)-4,6-Dibenzylidene-2,2-dimethyl-1,3-dioxan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z,6Z)-4,6-Dibenzylidene-2,2-dimethyl-1,3-dioxan-5-one",NA,"CC1(OC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)O1)C","QGRDVHZIDHEPCR-JTFWXBGUSA-N",5387558,NA,"PDBC05450","624512","Present",NA,NA
+"5451","(4Z,9Z)-2-Methyl-N,N'-diphenylnaphth[2,3-d]oxazole-4,9-diimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z,9Z)-2-Methyl-N,N'-diphenylnaphth[2,3-d]oxazole-4,9-diimine",NA,"CC1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=CC=CC=C4C2=NC5=CC=CC=C5","CQWANUMSMQMLNZ-UHFFFAOYSA-N",373682,NA,"PDBC05451","650572","Present",NA,NA
+"5452","(4Z,9Z,14Z,19Z)-2,2,7,7,12,12,17,17-Octamethylcycloicosa-4,9,14,19-tetraene-1,3,6,8,11,13,16,18-octone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Octamethyl-cycloeicosa-4,9,14,19-tetraen-1,3,6,8,11,13,16,18-octaone",NA,"CC1(C(=O)C=CC(=O)C(C(=O)C=CC(=O)C(C(=O)C=CC(=O)C(C(=O)C=CC1=O)(C)C)(C)C)(C)C)C","ZESYLGKHDBKSPD-LUHLCGLTSA-N",5387612,NA,"PDBC05452","625155","Present",NA,NA
+"5453","(5',6'-Diacetyloxy-1',3'-dioxospiro[1,2-dihydroindene-3,2'-3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene]-8'-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5',6'-Diacetyloxy-1',3'-dioxospiro[1,2-dihydroindene-3,2'-3a,4,9,9a-tetrahydrocyclopenta[g]naphthalene]-8'-yl) acetate",NA,"CC(=O)OC1=CC(=C(C2=C1CC3C(C2)C(=O)C4(C3=O)CCC5=CC=CC=C45)OC(=O)C)OC(=O)C","XJVZXWIZAYAVHC-UHFFFAOYSA-N",360672,NA,"PDBC05453","622990","Present",NA,NA
+"5454","(5'Z,8Z)-6',8-Dimethyl-3',11-bis(prop-1-en-2-yl)spiro[3,4,5,6,7,10,11,12-octahydrocyclodeca[b]pyran-2,10'-cyclodec-5-ene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5'Z,8Z)-6',8-Dimethyl-3',11-bis(prop-1-en-2-yl)spiro[3,4,5,6,7,10,11,12-octahydrocyclodeca[b]pyran-2,10'-cyclodec-5-ene]-1'-one",NA,"CC1=CCC(CC2=C(CCC1)CCC3(O2)CCCC(=CCC(CC3=O)C(=C)C)C)C(=C)C","DMKVPFLNEBAOOV-KBZHBASMSA-N",5467537,NA,"PDBC05454","655265","Present",NA,NA
+"5455","(5,10,11-Trimethylpyrido[2,3-b]carbazol-7-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5,10,11-Trimethyl-10H-pyrido[2,3-b]carbazol-7-yl)methanol",NA,"CC1=C2C=CC=NC2=C(C3=C1C4=C(N3C)C=CC(=C4)CO)C","CMUBKFXXZKGNDR-UHFFFAOYSA-N",155815754,NA,"PDBC05455","802082","Present",NA,NA
+"5456","(5,10,11-Trimethylpyrido[3,4-b]carbazol-7-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5,10,11-Trimethyl-10H-pyrido[3,4-b]carbazol-7-yl)methanol",NA,"CC1=C2C=CN=CC2=C(C3=C1C4=C(N3C)C=CC(=C4)CO)C","XTLGSAQUBLLZQB-UHFFFAOYSA-N",155805418,NA,"PDBC05456","790091","Present",NA,NA
+"5457","(5,11,12-Triacetyloxy-1,8-dimethyl-4-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5,11,12-Triacetyloxy-1,8-dimethyl-4-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl) acetate",NA,"CC(=O)OC1=C(C=C2C(=C1)C3(CCC2(C4=CC(=C(C=C43)OC(=O)C)OC(=O)C)C)C)OC(=O)C","WWZMNWPBSWGKRZ-UHFFFAOYSA-N",361632,NA,"PDBC05457","624849","Present",NA,NA
+"5458","(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl butanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Butanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]","MHFNPONSZNFGGV-UHFFFAOYSA-N",367407,NA,"PDBC05458","637129","Present",NA,NA
+"5459","(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl heptanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Heptanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CCCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]","UAWZPKFEEFOKRF-UHFFFAOYSA-N",367413,NA,"PDBC05459","637132","Present",NA,NA
+"5460","(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl hexanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Hexanoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]","QXVRHBROPZKZBG-UHFFFAOYSA-N",367411,NA,"PDBC05460","637131","Present",NA,NA
+"5461","(5,11-Dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl pentanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Dimethyl-2-[(pentanoyloxy)methyl]-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]","GFNLDOQDGDNRGT-UHFFFAOYSA-N",367409,NA,"PDBC05461","637130","Present",NA,NA
+"5462","(5,5'-Ditert-butyl-2'-((dimethylamino)methyl)[1,1'-biphenyl]-2-yl)-N,N-dimethylmethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5,5'-Ditert-butyl-2'-((dimethylamino)methyl)[1,1'-biphenyl]-2-yl)-N,N-dimethylmethanamine",NA,"CC(C)(C)C1=CC(=C(C=C1)CN(C)C)C2=C(C=CC(=C2)C(C)(C)C)CN(C)C","IBOBEXDBNVGMKY-UHFFFAOYSA-N",278497,NA,"PDBC05462","128166","Present",NA,NA
+"5463","(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5,5-Dimethyl-1,3,2-dioxaphosphinan-2-yl) diethyl phosphate",NA,"CCOP(=O)(OCC)OP1OCC(CO1)(C)C","ZKAPWMRNCPEOOG-UHFFFAOYSA-N",371770,NA,"PDBC05463","646214","Present",NA,NA
+"5464","(5,5-Dimethyl-4,5-dihydro-1H-pyrazol-3-yl)(triphenyl)phosphanium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, (4,5-dihydro-5,5-dimethyl-1H-pyrazol-3-yl)t...",NA,"CC1(CC(=NN1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]","LROCHYALKGVSHL-UHFFFAOYSA-M",21157570,NA,"PDBC05464","219241","Present",NA,NA
+"5465","(5,6,7-Trimethoxy-benzothiazol-2-YL)-carbamic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,7-Trimethoxy-benzothiazol-2-yl-carbamic acid ethyl e...",NA,"CCOC(=O)NC1=NC2=CC(=C(C(=C2S1)OC)OC)OC","FUJBDYFCRBDDRE-UHFFFAOYSA-N",3510327,NA,"PDBC05465","764926","Present",NA,NA
+"5466","(5,6-Diacetyloxy-1,3-dioxospiro[cyclopenta[g]naphthalene-2,1'-cyclopentane]-8-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5,6-Diacetyloxy-1,3-dioxospiro[cyclopenta[g]naphthalene-2,1'-cyclopentane]-8-yl) acetate",NA,"CC(=O)OC1=CC(=C(C2=CC3=C(C=C21)C(=O)C4(C3=O)CCCC4)OC(=O)C)OC(=O)C","LXRVGAIWLBTWPC-UHFFFAOYSA-N",360671,NA,"PDBC05466","622989","Present",NA,NA
+"5467","(5,7-Dibromo-8-hydroxy-3-methyl-2-quinolinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5,7-Dibromo-8-hydroxy-3-methyl-2-quinolinyl)(phenyl)methanone",NA,"CC1=CC2=C(C(=C(C=C2Br)Br)O)N=C1C(=O)C3=CC=CC=C3","NGWZHHIVXCJLBA-UHFFFAOYSA-N",370210,NA,"PDBC05467","642954","Present",NA,NA
+"5468","(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)iminothiourea",NA,"C1=C(C=C(C2=C1C(=C(N2)O)N=NC(=S)N)Cl)Cl","GKSLZALVBZPVCW-UHFFFAOYSA-N",3736607,NA,"PDBC05468","73305","Present",NA,NA
+"5469","(5,7-Dimethyl-3,6-dihydro-2H-1,4-diazepin-6-yl)-(2-methyl-3H-benzimidazol-5-yl)diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(e)-(5,7-Dimethyl-3,6-dihydro-2h-1,4-diazepin-6-yl)-(2-methyl-3h-benzimidazol-5-yl)diazene",NA,"CC1=NCCN=C(C1N=NC2=CC3=C(C=C2)N=C(N3)C)C","UOSSUCDWBYDXSX-UHFFFAOYSA-N",396642,NA,"PDBC05469","703141","Present",NA,NA
+"5470","(5,8-Dichloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5,8-Dichloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone",NA,"C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC(=C3C=C2C(Br)Br)Cl)Cl","ORUKEOXCVZHQFF-UHFFFAOYSA-N",370204,NA,"PDBC05470","642948","Present",NA,NA
+"5471","(5-(((Diethylamino)carbonyl)oxy)-2-pyridinyl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-(((Diethylamino)carbonyl)oxy)-2-pyridinyl)methyl acetate",NA,"CCN(CC)C(=O)OC1=CN=C(C=C1)COC(=O)C","LXLOVJVKDHUCTP-UHFFFAOYSA-N",371012,NA,"PDBC05471","644874","Present",NA,NA
+"5472","(5-((1-Adamantylimino)methyl)-2-chlorophenyl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-((1-Adamantylimino)methyl)-2-chlorophenyl)(hydroxy)azane oxide",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=C(C=C4)Cl)[N+](=O)[O-]","HGIJWSFUOLYHDT-UHFFFAOYSA-N",379708,NA,"PDBC05472","664683","Present",NA,NA
+"5473","(5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(2-(3-(2-chloroanilino)-3-oxopropanoyl)hydrazino)methylphosphonous acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-[2-[3-(2-chloroanilino)-3-oxopropanoyl]hydrazinyl]methyl]phosphonous acid",NA,"C1=CC=C(C(=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)P(O)O)Cl","DPFMORBISMCQJC-UHFFFAOYSA-N",377940,NA,"PDBC05473","659608","Present",NA,NA
+"5474","(5-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2-pyrrolidinyl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2-pyrrolidinyl)methyl acetate",NA,"CC(=O)OCC1CCC(=C2C(=O)OC(OC2=O)(C)C)N1","CJGFOSCWUPZHBY-UHFFFAOYSA-N",383012,NA,"PDBC05474","670996","Present",NA,NA
+"5475","(5-(3-(2-Furyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-2-furyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-(3-(2-Furyl)-1-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-2-furyl)methanol",NA,"C1C(N(N=C1C2=CC=CO2)C3=CC=CC=C3)C4=CC=C(O4)CO","VFAGDXRRQDSVID-UHFFFAOYSA-N",376139,NA,"PDBC05475","656632","Present",NA,NA
+"5476","(5-(5-Amino-4-cyano-1,3-oxazol-2-yl)-2-furyl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-(5-Amino-4-cyano-1,3-oxazol-2-yl)-2-furyl)methyl acetate",NA,"CC(=O)OCC1=CC=C(O1)C2=NC(=C(O2)N)C#N","MIPLVGNUQGQMEH-UHFFFAOYSA-N",377504,NA,"PDBC05476","658988","Present",NA,NA
+"5477","(5-(Acetyloxy)-2-((acetyloxy)methyl)-3-pyridinyl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-(Acetyloxy)-2-((acetyloxy)methyl)-3-pyridinyl)methyl acetate",NA,"CC(=O)OCC1=C(N=CC(=C1)OC(=O)C)COC(=O)C","GTXZRSPMSSFYHD-UHFFFAOYSA-N",371013,NA,"PDBC05477","644875","Present",NA,NA
+"5478","(5-(Mercaptomethyl)-2-thienyl)methyl hydrosulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-(Mercaptomethyl)-2-thienyl)methyl hydrosulfide",NA,"C1=C(SC(=C1)CS)CS","DHHJQXAJIIVBES-UHFFFAOYSA-N",373744,NA,"PDBC05478","650643","Present",NA,NA
+"5479","(5-(Methoxycarbonyl)-5-methyl-2-(4-methylphenyl)-1-cyclohexen-1-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-(Methoxycarbonyl)-5-methyl-2-(4-methylphenyl)-1-cyclohexen-1-yl)acetic acid",NA,"CC1=CC=C(C=C1)C2=C(CC(CC2)(C)C(=O)OC)CC(=O)O","RFZTVGJNQLCFOY-UHFFFAOYSA-N",287675,NA,"PDBC05479","147737","Present",NA,NA
+"5480","(5-Acetyl-6,11-dimethyl-8-oxo-7-oxatetracyclo[8.8.0.02,6.011,16]octadec-4-en-14-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Acetyl-6,11-dimethyl-8-oxo-7-oxatetracyclo[8.8.0.02,6.011,16]octadec-4-en-14-yl) acetate",NA,"CC(=O)C1=CCC2C1(OC(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C","RZDJJWQUCPCDTP-UHFFFAOYSA-N",303610,NA,"PDBC05480","192737","Present",NA,NA
+"5481","(5-Acetyloxy-4-methyl-2-oxochromen-7-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_044720",NA,"CC1=CC(=O)OC2=C1C(=CC(=C2)OC(=O)C)OC(=O)C","XZMIXWYSAYXQPU-UHFFFAOYSA-N",390800,NA,"PDBC05481","688796","Present",NA,NA
+"5482","(5-Amino-1,4-D]pyrazin-7-YL)carbamic acid, ethyl ester, hydrochloride (25:3)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [5-amino-1,2-dihydro-3-(4-methoxyphenyl)p...",NA,"CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=C(C=C3)OC)N.Cl","LLOSSPFQKMGMHB-UHFFFAOYSA-N",54604647,NA,"PDBC05482","332890","Present",NA,NA
+"5483","(5-Amino-2,4-dimethoxyphenyl)(2-thienyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Amino-2,4-dimethoxyphenyl)(2-thienyl)methanone",NA,"COC1=CC(=C(C=C1C(=O)C2=CC=CS2)N)OC","JLMFSHGWAIGJFO-UHFFFAOYSA-N",363949,NA,"PDBC05483","629483","Present",NA,NA
+"5484","(5-Amino-4-cyano-1,3-oxazol-2-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Amino-4-cyano-1,3-oxazol-2-yl)methyl acetate",NA,"CC(=O)OCC1=NC(=C(O1)N)C#N","MQIYOWQPOLBZJX-UHFFFAOYSA-N",386972,NA,"PDBC05484","680214","Present",NA,NA
+"5485","(5-Benzoyloxy-4-oxo-pyran-2-yl) benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Benzoyloxy-4-oxo-pyran-2-yl) benzoate",NA,"C1=CC=C(C=C1)C(=O)OC2=CC(=O)C(=CO2)OC(=O)C3=CC=CC=C3","QAEMBFNJGHEYJI-UHFFFAOYSA-N",395500,NA,"PDBC05485","700142","Present",NA,NA
+"5486","(5-Benzyl-6-methyl-2-thioxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Benzyl-6-methyl-2-thioxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl)thiourea",NA,"CC1=C(C2=C(N1)NC(=S)N=C2NC(=S)N)CC3=CC=CC=C3","GERGJOCGWFGKTD-UHFFFAOYSA-N",3002245,NA,"PDBC05486","690967","Present",NA,NA
+"5487","(5-Benzyloxycarbonylamino-5-carbamoyl-pentyl)-carbamic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Benzyloxycarbonylamino-5-carbamoyl-pentyl)-carbamic acid tert-butyl ester",NA,"CC(C)(C)OC(=O)NCCCCC(C(=O)N)NC(=O)OCC1=CC=CC=C1","NRIVYVKAKANCDC-UHFFFAOYSA-N",382311,NA,"PDBC05487","669771","Present",NA,NA
+"5488","(5-Bromo-2-oxo-1H-benzo[d]azolin-3-ylidene)azamethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)sulfamic acid",NA,"C1=CC2=C(C=C1Br)C(=NS(=O)(=O)O)C(=O)N2","YIDREPMIEJXVFV-UHFFFAOYSA-N",135505239,NA,"PDBC05488","707054","Present",NA,NA
+"5489","(5-Carbamimidoylsulfanyl-3-oxopentyl) carbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650632",NA,"C(CSC(=N)N)C(=O)CCSC(=N)N.Cl","HPFAROAOHQIGOO-UHFFFAOYSA-N",373732,NA,"PDBC05489","650632","Present",NA,NA
+"5490","(5-Chloro-2-hydroxyphenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SY198913",NA,"C1=CC(=C(C=C1Cl)CC(=O)O)O","MXOUPSVVAIWFKQ-UHFFFAOYSA-N",244199,NA,"PDBC05490","54854","Present",NA,NA
+"5491","(5-Chloropyridin-3-yl) 2-oxo-6-(propanoyloxymethyl)chromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloropyridin-3-yl 2-oxo-6-[(propanoyloxy)methyl]-2h-chromene-3-carboxylate",NA,"CCC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC(=CN=C3)Cl","SMIXYAWTUGVYBN-UHFFFAOYSA-N",402512,NA,"PDBC05491","716539","Present",NA,NA
+"5492","(5-Chloropyridin-3-yl) 2-oxothiochromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloropyridin-3-yl 2-oxo-2h-thiochromene-3-carboxylate",NA,"C1=CC=C2C(=C1)C=C(C(=O)S2)C(=O)OC3=CC(=CN=C3)Cl","GFGXDSKELFGWCB-UHFFFAOYSA-N",402515,NA,"PDBC05492","716541","Present",NA,NA
+"5493","(5-Cholestene-3beta-olato)ethoxybis(1-phenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Cholestene-3.beta.-olato)ethoxybis(1-phenylbutane-1,3...",NA,"CC[O-].CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","ROKUETDCCIDSDE-PJVUARBTSA-N",368062,NA,"PDBC05493","638387","Present",NA,NA
+"5494","(5-Cyano-3,4-bis(3,4-dichlorophenyl)-6-oxo-1(6H)-pyridazinyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Cyano-3,4-bis(3,4-dichlorophenyl)-6-oxo-1(6H)-pyridazinyl)acetic acid",NA,"C1=CC(=C(C=C1C2=C(C(=O)N(N=C2C3=CC(=C(C=C3)Cl)Cl)CC(=O)O)C#N)Cl)Cl","MBUITOGHNBPJGL-UHFFFAOYSA-N",357102,NA,"PDBC05494","614930","Present",NA,NA
+"5495","(5-Ethenyl-2-methylpyridin-1-ium-1-yl)methyl-[(5-ethenyl-2-methylpyridin-1-ium-1-yl)methyl-dimethylsilyl]oxy-dimethylsilane;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Ethenyl-2-methylpyridin-1-ium-1-yl)methyl-[(5-ethenyl-2-methylpyridin-1-ium-1-yl)methyl-dimethylsilyl]oxy-dimethylsilane;iodide",NA,"CC1=[N+](C=C(C=C1)C=C)C[Si](C)(C)O[Si](C)(C)C[N+]2=C(C=CC(=C2)C=C)C.[I-]","HCCLKJNWYKWJTF-UHFFFAOYSA-M",372821,NA,"PDBC05495","648484","Present",NA,NA
+"5496","(5-Ethoxy-1,3-oxazol-2-yl)(diphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Ethoxy-1,3-oxazol-2-yl)(diphenyl)methanol",NA,"CCOC1=CN=C(O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O","JVIUCDBVXJTBPN-UHFFFAOYSA-N",386456,NA,"PDBC05496","678485","Present",NA,NA
+"5497","(5-Fluoro-12-methylbenzo[a]anthracen-7-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000568",NA,"CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)COC(=O)C)F","BWBNQGMPRXNAEL-UHFFFAOYSA-N",128899,NA,"PDBC05497","623135","Present",NA,NA
+"5498","(5-Fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-(4-methoxyphenyl)mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Fluoro-2,4-dioxo-1H-pyrimidin-3-yl)-(4-methoxyphenyl)mercury",NA,NA,NA,NA,NA,"PDBC05498","631944","Present",NA,NA
+"5499","(5-Formyl-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-yl) thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Formyl-3-methyl-1-pyridin-2-yl-6,7-dihydro-1h-indazol-4-yl thiocyanate",NA,"CC1=NN(C2=C1C(=C(CC2)C=O)SC#N)C3=CC=CC=N3","LNGSSQMLQJECIC-UHFFFAOYSA-N",400142,NA,"PDBC05499","711636","Present",NA,NA
+"5500","(5-Hydroxy-2-methoxy-6-methyloxan-3-yl) 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Hydroxy-2-methoxy-6-methyloxan-3-yl) 4-methylbenzenesulfonate",NA,"CC1C(CC(C(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)O","AGPXATUJARHHJF-UHFFFAOYSA-N",359616,NA,"PDBC05500","620675","Present",NA,NA
+"5501","(5-Hydroxy-4,6-dimethylpyridin-3-YL)methyl dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Deoxypyridoxine-P",NA,"CC1=C(C(=NC=C1COP(=O)(O)O)C)O","RBCOYOYDYNXAFA-UHFFFAOYSA-N",95687,NA,"PDBC05501","29870","Present",NA,NA
+"5502","(5-Hydroxy-9,10a-diaza-pentaleno[1,2-a]napht halen-7-yl)-phenyl-methanon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Hydroxy-9,10-dihydro-8H-8,10a-diaza-pentaleno[1,2-a]n...",NA,"C1CN2C3=C(C=C(C4=CC=CC=C43)O)C(=C2N1)C(=O)C5=CC=CC=C5","NZKYVWWXTZJWIO-UHFFFAOYSA-N",24205844,NA,"PDBC05502","736918","Present",NA,NA
+"5503","(5-Methyl-2-oxo-1,3,2-dioxathian-5-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Methyl-2-oxido-1,3,2-dioxathian-5-yl)methanol",NA,"CC1(COS(=O)OC1)CO","JFPIBVKMGJPJRZ-UHFFFAOYSA-N",373710,NA,"PDBC05503","650611","Present",NA,NA
+"5504","(5-Nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Nitro-1,3-dioxo-benzo[de]isoquinolin-2-yl) 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]","UNVINAWGNYGOQK-UHFFFAOYSA-N",272144,NA,"PDBC05504","116385","Present",NA,NA
+"5505","(5-Nitro-1,3-thiazol-2-yl)N,N-diethanolamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ADAL1163628",NA,"C1=C(SC(=N1)N(CCO)CCO)[N+](=O)[O-]","YWXVDTSGAZBQDY-UHFFFAOYSA-N",380955,NA,"PDBC05505","666738","Present",NA,NA
+"5506","(5-Nitro-2-phenethyl-1,3-dioxan-5-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Nitro-2-phenethyl-1,3-dioxan-5-yl)methanol",NA,"C1C(COC(O1)CCC2=CC=CC=C2)(CO)[N+](=O)[O-]","ANWPZBRMGJSEKH-UHFFFAOYSA-N",361321,NA,"PDBC05506","624347","Present",NA,NA
+"5507","(5-Nitro-2-phenylphenyl)arsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-187675",NA,"C1=CC=C(C=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[As](=O)(O)O","CCGNSPSMYWVAMG-UHFFFAOYSA-N",302501,NA,"PDBC05507","187675","Present",NA,NA
+"5508","(5-Nitrofuran-2-yl)methylene dibutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Nitrofuran-2-yl)methylene dibutanoate",NA,"CCCC(=O)OC(C1=CC=C(O1)[N+](=O)[O-])OC(=O)CCC","OAPNBKYSIKPKAZ-UHFFFAOYSA-N",348954,NA,"PDBC05508","408483","Present",NA,NA
+"5509","(5-Nitrospiro[1,3-dioxane-2,9'-fluorene]-5-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxane-2,9'-[9H]fluorene], 5-(hydroxymethyl)-...",NA,"C1C(COC2(O1)C3=CC=CC=C3C4=CC=CC=C24)(CO)[N+](=O)[O-]","CSGREVUJPNTCHL-UHFFFAOYSA-N",363555,NA,"PDBC05509","628519","Present",NA,NA
+"5510","(5-Oxospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl) carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl) carbamodithioate",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)SC(=S)N","RIGXAYDTYVPTJC-UHFFFAOYSA-N",135409130,NA,"PDBC05510","658728","Present",NA,NA
+"5511","(5-Oxotricyclo[2.2.1.0~2,6~]hept-3-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Oxotricyclo[2.2.1.02,6]hept-3-yl)acetonitrile",NA,"C1C2C3C2C(=O)C1C3CC#N","VZYFIBQSLJGGRS-UHFFFAOYSA-N",380732,NA,"PDBC05511","666439","Present",NA,NA
+"5512","(5-Phenyl-1,3-thiazol-2-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZKQNZTYJCCNVKZ-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)C2=CN=C(S2)CO","ZKQNZTYJCCNVKZ-UHFFFAOYSA-N",273543,NA,"PDBC05512","118832","Present",NA,NA
+"5513","(5-Phenyl-3-tellurophenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxymethyl-2-phenyl-tellurophene",NA,"C1=CC=C(C=C1)C2=CC(=C[Te]2)CO","QVJUSFRJJPRLDK-UHFFFAOYSA-N",362976,NA,"PDBC05513","627508","Present",NA,NA
+"5514","(5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-004268",NA,"C1=CC=C(C=C1)C2=NNC(=N2)CC#N","DDXUUSTVPHVENY-UHFFFAOYSA-N",386778,NA,"PDBC05514","679486","Present",NA,NA
+"5515","(5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraen-3-yl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydrazino-2-(2-pyridyl)-5,6,7,8,9,10-hexahydrocyclooct...",NA,"C1CCCC2=C(CC1)C3=C(N=C(N=C3S2)C4=CC=CC=N4)NN","HNESEQPJRQZTBS-UHFFFAOYSA-N",72196726,NA,"PDBC05515","764310","Present",NA,NA
+"5516","(5-Tert-butyl-2-hydroxyphenyl)methyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48683",NA,"CC(C)(C)C1=CC(=C(C=C1)O)C[N+](C)(C)C.[I-]","UYGITAMKZDJQQC-UHFFFAOYSA-N",5351810,NA,"PDBC05516","48683","Present",NA,NA
+"5517","(5Ar,10aS,10cR)-7,7,10a,10c-Tetramethyl-2,5a,6,6a,7,8,9, 10,10a,10c-decahydro-4H-5-oxa-acephenanthrylene-3-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5aR,6aS,10aS,10cR)-7,7,10a,10c-Tetramethyl-2,5a,6,6a,7,...",NA,"CC1(CCCC2(C1CC3C4(C2=CCC(=C4CO3)C(=O)OC)C)C)C","QRZYQIRNAWSAJE-NLEAXPPASA-N",12114764,NA,"PDBC05517","726197","Present",NA,NA
+"5518","(5Ar,6R,8aR)-5a-methyl-6-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,8a-octahydro-1H-cyclopenta[b]azepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Ar,6r,8ar)-6-(1,5-dimethylhexyl)-5a-methyl-2,3,4,5,6,7,8,8a-octahydro-1h-cyclopenta[b]azepine",NA,"CC(C)CCCC(C)C1CCC2C1(CCCCN2)C","UCGJCAGQAMYVHQ-QSLYMNIHSA-N",403828,NA,"PDBC05518","719362","Present",NA,NA
+"5519","(5Ar,6R,8aR)-5a-methyl-6-(6-methylheptan-2-yl)-N-phenyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Ar,6R,8aR)-5a-methyl-6-(6-methylheptan-2-yl)-N-phenyl-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine",NA,"CC(C)CCCC(C)C1CCC2C1(CCCC(=N2)NC3=CC=CC=C3)C","GLLCVTMTSMMJAZ-TWCSLKCUSA-N",403830,NA,"PDBC05519","719364","Present",NA,NA
+"5520","(5Ar,6R,8aR)-N-benzyl-5a-methyl-6-(6-methylheptan-2-yl)-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Ar,6R,8aR)-N-benzyl-5a-methyl-6-(6-methylheptan-2-yl)-4,5,6,7,8,8a-hexahydro-3H-cyclopenta[b]azepin-2-amine",NA,"CC(C)CCCC(C)C1CCC2C1(CCCC(=N2)NCC3=CC=CC=C3)C","VWXYSYATPFJBIX-OHPLOISXSA-N",403831,NA,"PDBC05520","719365","Present",NA,NA
+"5521","(5Ar,8aS,9S)-9-[4-[4-[4-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]phenyl]anilino]-4-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Ar,8aS,9S)-9-[4-[4-[4-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]phenyl]anilino]-4-(4-hydroxy-3,5-dimethoxyp",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C7=CC=C(C=C7)C8=CC=C(C=C8)NC9C1COC(=O)C1CC1=C(C2=C(C=C91)OCO2)C1=CC(=C(C(=C1)OC)O)OC","RLGVZEQXLOEGTH-KDTKSUNLSA-N",403478,NA,"PDBC05521","718379","Present",NA,NA
+"5522","(5Ar,8aS,9S)-9-[[7-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-9H-fluoren-2-yl]amino]-4-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Ar,8aS,9S)-9-[[7-[[(5S,5aS,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]-9H-fluoren-2-yl]amino]-4-(4-hydroxy-3,5-dimethoxypheny",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=C6)C8=C(C7)C=C(C=C8)NC9C1COC(=O)C1CC1=C(C2=C(C=C91)OCO2)C1=CC(=C(C(=C1)OC)O)OC","QGNWPDNFBRIEME-QCBTWLFZSA-N",403479,NA,"PDBC05522","718380","Present",NA,NA
+"5523","(5As,9aS)-2,4-bis(4-chlorophenyl)-3-phenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5As,9aS)-2,4-bis(4-chlorophenyl)-3-phenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole",NA,"C1CCC2C(C1)N=C3N2C(C(=C(N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5)C6=CC=C(C=C6)Cl","YLEVINLUJCOCAK-HFKGTQBBSA-N",389413,NA,"PDBC05523","685485","Present",NA,NA
+"5524","(5As,9aS)-2,4-diphenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5As,9aS)-2,4-diphenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole",NA,"C1CCC2C(C1)N=C3N2C(C=C(N3)C4=CC=CC=C4)C5=CC=CC=C5","KUARHCORKHWPNE-WZENJKSDSA-N",389411,NA,"PDBC05524","685483","Present",NA,NA
+"5525","(5As,9aS)-2-(4-chlorophenyl)-4-phenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5As,9aS)-2-(4-chlorophenyl)-4-phenyl-1,4,5a,6,7,8,9,9a-octahydropyrimido[1,2-a]benzimidazole",NA,"C1CCC2C(C1)N=C3N2C(C=C(N3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5","UJRXKHRJJKJIQL-WZENJKSDSA-N",389412,NA,"PDBC05525","685484","Present",NA,NA
+"5526","(5E)-1,3-Dibromo-5-(pyridin-3-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-1,3-Dibromo-5-(pyridin-3-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one",NA,"C1=CN(C=C1)C2C(=CC3=CN=CC=C3)C(=O)C4=C(SC(=C24)Br)Br","IERTUMHWBBOQKJ-DHZHZOJOSA-N",5471491,NA,"PDBC05526","711742","Present",NA,NA
+"5527","(5E)-1,3-Dibromo-5-(pyridin-4-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-1,3-Dibromo-5-(pyridin-4-ylmethylidene)-6-pyrrol-1-yl-6H-cyclopenta[c]thiophen-4-one",NA,"C1=CN(C=C1)C2C(=CC3=CC=NC=C3)C(=O)C4=C(SC(=C24)Br)Br","SXNMNSKBROQVNI-PKNBQFBNSA-N",5471492,NA,"PDBC05527","711743","Present",NA,NA
+"5528","(5E)-2,6-Diimino-5-[(2-nitrophenyl)methylene]hexahydropyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2,6-Diimino-5-[(2-nitrophenyl)methylene]hexahydropyrimidin-4-one",NA,"C1=CC=C(C(=C1)C=C2C(=NC(=NC2=O)N)N)[N+](=O)[O-]","LYWADTJFCOIMQC-FNORWQNLSA-N",5387798,NA,"PDBC05528","627525","Present",NA,NA
+"5529","(5E)-2-(5-Amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-(5-Amino-3-methyl-1-phenylpyrazol-4-yl)imino-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidin-4-one",NA,"CC1=NN(C(=C1N=C2NC(=O)C(=CC3=CC=C(C=C3)OC)S2)N)C4=CC=CC=C4","GTSFDICKEINLJR-SFQUDFHCSA-N",136040181,NA,"PDBC05529","753927","Present",NA,NA
+"5530","(5E)-2-(Anilinomethyl)-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-(Anilinomethyl)-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one",NA,"C1CC(=CC=CC2=CC=CC=C2)C(=O)C1CNC3=CC=CC=C3","WYQQSIAWIAZYRI-PFMZDYLOSA-N",5467978,NA,"PDBC05530","661238","Present",NA,NA
+"5531","(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,"CN(C)CCC1(CCC(=CC2=CC=CC=C2OC)C1=O)C3=CCCC3.Cl","VNUNZTSJKBCFAK-HYNBPGMHSA-N",6516861,NA,"PDBC05531","639621","Present",NA,NA
+"5532","(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,"CN(C)CCC1(CCC(=CC2=CC(=CC=C2)OC)C1=O)C3=CCCC3.Cl","DQWLPGNMIPWHGK-FLNCGGNMSA-N",49796370,NA,"PDBC05532","639622","Present",NA,NA
+"5533","(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-(Cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,"CN(C)CCC1(CCC(=CC2=CC=C(C=C2)OC)C1=O)C3=CCCC3.Cl","VSTOLUHVOJXWLU-HYNBPGMHSA-N",49796369,NA,"PDBC05533","639620","Present",NA,NA
+"5534","(5E)-2-(Morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(4-morpholinyl)methyl]-5-nonylidene, ...",NA,"CCCCCCCCC=C1CCC(C1=O)CN2CCOCC2.Cl","VCXGYAPRRGELNZ-WWIHJBQESA-N",54612513,NA,"PDBC05534","639505","Present",NA,NA
+"5535","(5E)-2-(Morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 5-[(4-morpholinyl)methyl]-2-pentylidene-...",NA,"CCCCC=C1CCC(C1=O)CN2CCOCC2.Cl","BGPKXKMFENYSDC-CMZQJCRFSA-N",5467291,NA,"PDBC05535","649904","Present",NA,NA
+"5536","(5E)-2-Benzyl-5-benzylidene-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-Benzyl-5-benzylidene-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,"CN(C)CC1(CCC(=CC2=CC=CC=C2)C1=O)CC3=CC=CC=C3.Cl","LPSRLBMMBMEEGI-QMGGKDRNSA-N",6516831,NA,"PDBC05536","639522","Present",NA,NA
+"5537","(5E)-2-[(4-Bromoanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(4-Bromoanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one",NA,"C1CC(=CC=CC2=CC=CC=C2)C(=O)C1CNC3=CC=C(C=C3)Br","AHKPMFYWVJHYCY-AQHRCUNFSA-N",5467979,NA,"PDBC05537","661239","Present",NA,NA
+"5538","(5E)-2-[(4-Chloroanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(4-Chloroanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one",NA,"COC1=CC=CC=C1C=C2CCC(C2=O)CNC3=CC=C(C=C3)Cl","OVSJHHKFALRYKL-NTCAYCPXSA-N",6516858,NA,"PDBC05538","639540","Present",NA,NA
+"5539","(5E)-2-[(4-Chloroanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4- h...",NA,"C1CC(=CC2=CC=C(C=C2)O)C(=O)C1CNC3=CC=C(C=C3)Cl","KRNGWPMSMWJZKZ-SDNWHVSQSA-N",5930524,NA,"PDBC05539","639541","Present",NA,NA
+"5540","(5E)-2-[(4-Chlorophenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(4-Chlorophenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one",NA,"C1=CC(=CC=C1OCC2=NC3N(N2)C(=O)C(=CC4=CC=C(O4)[N+](=O)[O-])S3)Cl","OTSACXQINMHLAT-KPKJPENVSA-N",5471974,NA,"PDBC05540","715681","Present",NA,NA
+"5541","(5E)-2-[(4-Chlorophenoxy)methyl]-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(4-Chlorophenoxy)methyl]-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one",NA,"C1=CC(=CC=C1OCC2=NC3N(N2)C(=O)C(=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)S3)Cl","PVSNCTQAPFHTEX-VXLYETTFSA-N",5471976,NA,"PDBC05541","715683","Present",NA,NA
+"5542","(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(2-methoxyphenyl)methylidene]cyclopentan-1-one",NA,"CCOC1=CC=C(C=C1)NCC2CCC(=CC3=CC=CC=C3OC)C2=O","JFBYNRPGOFKHKP-SAPNQHFASA-N",5915890,NA,"PDBC05542","639539","Present",NA,NA
+"5543","(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one",NA,"CCOC1=CC=C(C=C1)NCC2CCC(=CC3=CC=C(C=C3)O)C2=O","RMROIIBHPGJUEB-DTQAZKPQSA-N",5467973,NA,"PDBC05543","661233","Present",NA,NA
+"5544","(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(4-Ethoxyanilino)methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one",NA,"CCOC1=CC=C(C=C1)NCC2CCC(=CC=CC3=CC=CC=C3)C2=O","FEPMONSCOIXCFL-AVSIYSEJSA-N",5467980,NA,"PDBC05544","661240","Present",NA,NA
+"5545","(5E)-2-[(4-Methoxyanilino)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(4-Methoxyanilino)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one",NA,"COC1=CC=C(C=C1)C=C2CCC(C2=O)CNC3=CC=C(C=C3)OC","MNKADYGZVLTDPR-DTQAZKPQSA-N",5467974,NA,"PDBC05545","661234","Present",NA,NA
+"5546","(5E)-2-[(4-Methylphenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(4-Methylphenoxy)methyl]-5-[(5-nitrofuran-2-yl)methylidene]-1,3a-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one",NA,"CC1=CC=C(C=C1)OCC2=NC3N(N2)C(=O)C(=CC4=CC=C(O4)[N+](=O)[O-])S3","NSOGORXGYJBXIH-MDWZMJQESA-N",5471975,NA,"PDBC05546","715682","Present",NA,NA
+"5547","(5E)-2-[(Dimethylamino)methyl]-2-ethyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(Dimethylamino)methyl]-2-ethyl-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,"CCC1(CCC(=CC2=CC=C(C=C2)OC)C1=O)CN(C)C.Cl","FPKWRHBTVFPCRP-JRUHLWALSA-N",6516853,NA,"PDBC05547","639536","Present",NA,NA
+"5548","(5E)-2-[(Dimethylamino)methyl]-2-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(Dimethylamino)methyl]-2-methyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,"CC1(CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C1=O)CN(C)C.Cl","MKJMHSPWGVAXAZ-KYIGKLDSSA-N",6516845,NA,"PDBC05548","639531","Present",NA,NA
+"5549","(5E)-2-[(Dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(Dimethylamino)methyl]-2-methyl-5-pentylidenecyclopentan-1-one;hydrochloride",NA,"CCCCC=C1CCC(C1=O)(C)CN(C)C.Cl","DYHOKRYYQYEUOC-MXZHIVQLSA-N",54605002,NA,"PDBC05549","639502","Present",NA,NA
+"5550","(5E)-2-[(Dimethylamino)methyl]-2-prop-2-enyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(Dimethylamino)methyl]-2-prop-2-enyl-5-[(3,4,5-trimethoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,"CN(C)CC1(CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C1=O)CC=C.Cl","RGAQMRNIGHIGBN-YFMOEUEHSA-N",6516852,NA,"PDBC05550","639535","Present",NA,NA
+"5551","(5E)-2-[(Dimethylamino)methyl]-5-(2-methylpropylidene)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-5-(2-methyl- p...",NA,"CC(C)C=C1CCC(C1=O)CN(C)C.Cl","QECUABWGFUZPAT-HCUGZAAXSA-N",21141929,NA,"PDBC05551","639498","Present",NA,NA
+"5552","(5E)-2-[(Dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(Dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride",NA,"CC1(CCC(=CC2=CC(=CC=C2)OC)C1=O)CN(C)C.Cl","PPBZZAMSCFNKIL-KMZJGFRYSA-N",6516837,NA,"PDBC05552","639526","Present",NA,NA
+"5553","(5E)-2-[(Dimethylamino)methyl]-5-[(3-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(3-methoxy-...",NA,"CN(C)CC1CCC(=CC2=CC(=CC=C2)OC)C1=O.Cl","ZSAVQJDANLEEPS-KJEVSKRMSA-N",21141937,NA,"PDBC05553","639513","Present",NA,NA
+"5554","(5E)-2-[(Dimethylamino)methyl]-5-[(4-hydroxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(4-hydroxy-...",NA,"CN(C)CC1CCC(=CC2=CC=C(C=C2)O)C1=O.Cl","AZIMXESZBBJFSR-NBYYMMLRSA-N",5387766,NA,"PDBC05554","626880","Present",NA,NA
+"5555","(5E)-2-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-methylcyclopentan-1-one;hydrochloride",NA,"CC1(CCC(=CC2=CC=C(C=C2)OC)C1=O)CN(C)C.Cl","SZEZDJHAHHQHNS-JHGYPSGKSA-N",6516839,NA,"PDBC05555","639527","Present",NA,NA
+"5556","(5E)-2-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-prop-2-enylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(Dimethylamino)methyl]-5-[(4-methoxyphenyl)methylidene]-2-prop-2-enylcyclopentan-1-one;hydrochloride",NA,"CN(C)CC1(CCC(=CC2=CC=C(C=C2)OC)C1=O)CC=C.Cl","FNAONPXUKULBRL-ZUQRMPMESA-N",6516848,NA,"PDBC05556","639532","Present",NA,NA
+"5557","(5E)-2-[(Dimethylamino)methyl]-5-[2-[4-(2-methylpropyl)phenyl]propylidene]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[2-[4- (2-me...",NA,"CC(C)CC1=CC=C(C=C1)C(C)C=C2CCC(C2=O)CN(C)C.Cl","AZWGVADTJQETFH-XTWSRORZSA-N",21141933,NA,"PDBC05557","639509","Present",NA,NA
+"5558","(5E)-2-[(Dimethylamino)methyl]-5-heptylidenecyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-5-heptylidene-...",NA,"CCCCCCC=C1CCC(C1=O)CN(C)C.Cl","UTDPNCFLWSUGJW-KJEVSKRMSA-N",5387764,NA,"PDBC05558","626879","Present",NA,NA
+"5559","(5E)-2-[(Dimethylamino)methyl]-5-hexylidenecyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(Dimethylamino)methyl]-5-hexylidenecyclopentan-1-one",NA,"CCCCCC=C1CCC(C1=O)CN(C)C","QUGSOUOTWFTUPI-XYOKQWHBSA-N",5467295,NA,"PDBC05559","649906","Present",NA,NA
+"5560","(5E)-2-[(Dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[(Dimethylamino)methyl]-5-nonylidenecyclopentan-1-one;hydrochloride",NA,"CCCCCCCCC=C1CCC(C1=O)CN(C)C.Cl","VZESQSCDFJJJKY-KRWCAOSLSA-N",5467298,NA,"PDBC05560","649908","Present",NA,NA
+"5561","(5E)-2-[(Dimethylamino)methyl]-5-octylidenecyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-5-octylidene-,...",NA,"CCCCCCCC=C1CCC(C1=O)CN(C)C.Cl","QAIOLXNCYPNUTQ-KMZJGFRYSA-N",6516817,NA,"PDBC05561","639504","Present",NA,NA
+"5562","(5E)-2-[2-(Diethylamino)ethyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[2-(Diethylamino)ethyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-one;hydrochloride",NA,"CCN(CC)CCC1CCC(=CC2=CC=C(C=C2)OC)C1=O.Cl","ZICUZFHNXJPKSM-KLSJZZFUSA-N",50988773,NA,"PDBC05562","639618","Present",NA,NA
+"5563","(5E)-2-[[(5-Methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[[(5-Methyl-1,2-oxazol-3-yl)amino]methyl]-5-[(E)-3-phenylprop-2-enylidene]cyclopentan-1-one",NA,"CC1=CC(=NO1)NCC2CCC(=CC=CC3=CC=CC=C3)C2=O","AUBHZACVUVUIEZ-ZCPHBQKFSA-N",5467981,NA,"PDBC05563","661241","Present",NA,NA
+"5564","(5E)-2-[[5-Methyl-4-[5-methyl-2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-2-[[5-Methyl-4-[5-methyl-2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-5-[(4-methylphenyl)methylidene]-1,3-thiazol-4-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)N=C(S2)NC3=NC(=C(S3)C)C4=C(SC(=N4)NC5=NC(=O)C(=CC6=CC=C(C=C6)C)S5)C","HSFLLEBDPKELNM-JFMUQQRKSA-N",24204065,NA,"PDBC05564","730523","Present",NA,NA
+"5565","(5E)-3,3-Dimethyl-5-(4-nitrophenyl)imino-cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3,3-Dimethyl-5-[(4-nitrophenyl)imino]cyclohexanone",NA,"CC1(CC(=NC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)C1)C","RIYFRZMLRBXDLT-UHFFFAOYSA-N",366957,NA,"PDBC05565","636119","Present",NA,NA
+"5566","(5E)-3-(2-Chlorophenyl)-1,1-dioxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-3-(2-Chlorophenyl)-1,1-dioxo-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one",NA,"C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2(=O)=O)C5=CC=CC=C5Cl","OMXVPNHXIPSLOC-LGUFXXKBSA-N",5470274,NA,"PDBC05566","699102","Present",NA,NA
+"5567","(5E)-3-(3-Chlorophenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-3-(3-Chlorophenyl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylene]thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=CC(=CC=C4)Cl","XRJYRZOFLLXSQF-HYARGMPZSA-N",5470238,NA,"PDBC05567","699066","Present",NA,NA
+"5568","(5E)-3-Acetyl-5-[(furan-2-yl)methylidene]-4-hydroxyfuran-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-3-Acetyl-5-[(furan-2-yl)methylidene]-4-hydroxyfuran-2(5H)-one",NA,"CC(=O)C1=C(C(=CC2=CC=CO2)OC1=O)O","IWGFMYAZPOEARZ-VMPITWQZSA-N",54706011,NA,"PDBC05568","287486","Present",NA,NA
+"5569","(5E)-3-Benzyl-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-3-Benzyl-5-[(3-phenoxyphenyl)methylidene]-2-phenyl-1,3-thiazolidin-4-one",NA,"C1=CC=C(C=C1)CN2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","YDIDQRDZPROMEZ-NHFJDJAPSA-N",5470260,NA,"PDBC05569","699088","Present",NA,NA
+"5570","(5E)-3-Benzyl-5-benzylidene-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-3-Benzyl-5-benzylidene-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)CC4=CC=CC=C4","RFLIRMWWOWJKEB-OEAKJJBVSA-N",5470510,NA,"PDBC05570","702359","Present",NA,NA
+"5571","(5E)-4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-5-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)imino]piperidine-2,3,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-5-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)imino]piperidine-2,3,6-trione",NA,"CC1=C(C(=CC=C1)C)N2C(=O)C(=NC3=CC=CC4=C3C(=O)NNC4=O)C(C(=O)C2=O)C5=NC6=CC=CC=C6S5","NIJZYFRBIFCUDS-UHFFFAOYSA-N",360711,NA,"PDBC05571","623047","Present",NA,NA
+"5572","(5E)-4-Chloro-5-(2-furylmethylene)imidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-4-Chloro-5-(2-furylmethylene)imidazole-2-thione",NA,"C1=COC(=C1)C=C2C(=NC(=S)N2)Cl","WOSSWUIZIBDNNL-GQCTYLIASA-N",6374661,NA,"PDBC05572","684378","Present",NA,NA
+"5573","(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride",NA,"CN(C)CCC1(CCC(=CC2=CC3=C(C=C2)OCO3)C1=O)C4=CCCC4.Cl","VWVZMACZKQFTOR-IWSIBTJSSA-N",49796371,NA,"PDBC05573","639625","Present",NA,NA
+"5574","(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride",NA,"CCC1(CCC(=CC2=CC3=C(C=C2)OCO3)C1=O)CN(C)C.Cl","SGPJMVAIHUTWNQ-KYIGKLDSSA-N",6516856,NA,"PDBC05574","639538","Present",NA,NA
+"5575","(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride",NA,"CC1(CCC(=CC2=CC3=C(C=C2)OCO3)C1=O)CN(C)C.Cl","KPDJJLZWYRCNGW-FNXZNAJJSA-N",6516842,NA,"PDBC05575","639529","Present",NA,NA
+"5576","(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-(1,3-Benzodioxol-5-ylmethylidene)-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride",NA,"CN(C)CC1(CCC(=CC2=CC3=C(C=C2)OCO3)C1=O)CC=C.Cl","WEZOGTLWZYLVNM-GYVLLFFHSA-N",6516851,NA,"PDBC05576","639534","Present",NA,NA
+"5577","(5E)-5-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-3-ethyl-2-thioxo-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-(3,3-Diphenyl-2-benzothiophen-1-ylidene)-3-ethyl-2-thioxo-thiazolidin-4-one",NA,"CCN1C(=O)C(=C2C3=CC=CC=C3C(S2)(C4=CC=CC=C4)C5=CC=CC=C5)SC1=S","NUNVJRJIEJDNKK-QURGRASLSA-N",3004673,NA,"PDBC05577","659470","Present",NA,NA
+"5578","(5E)-5-(3-Allyl-7-hydroxy-thiazolo[4,5-d]pyrimidin-2-ylidene)-3-(p-tolyl)-2-thioxo-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-(3-Allyl-7-hydroxy-thiazolo[4,5-d]pyrimidin-2-ylidene)-3-(p-tolyl)-2-thioxo-thiazolidin-4-one",NA,"CC1=CC=C(C=C1)N2C(=O)C(=C3N(C4=C(S3)C(=O)NC=N4)CC=C)SC2=S","UEHOHKLVDQSIPR-GHRIWEEISA-N",135499330,NA,"PDBC05578","652036","Present",NA,NA
+"5579","(5E)-5-(7-Hydroxy-5-methyl-3-phenyl-thiazolo[4,5-d]pyrimidin-2-ylidene)-3-(p-tolyl)-2-thioxo-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-5-Methyl-2-[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]-3-phenyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one",NA,"CC1=CC=C(C=C1)N2C(=O)C(=C3N(C4=C(S3)C(=O)NC(=N4)C)C5=CC=CC=C5)SC2=S","WGDYTWRXBLRJRR-HEHNFIMWSA-N",135499331,NA,"PDBC05579","652037","Present",NA,NA
+"5580","(5E)-5-Benzylidene-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride",NA,"CN(C)CCC1(CCC(=CC2=CC=CC=C2)C1=O)C3=CCCC3.Cl","XKGFNRZZCNVSQC-HYNBPGMHSA-N",6516860,NA,"PDBC05580","639619","Present",NA,NA
+"5581","(5E)-5-Benzylidene-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride",NA,"CC1(CCC(=CC2=CC=CC=C2)C1=O)CN(C)C.Cl","GGBREVLCPVKKQB-JHGYPSGKSA-N",6516835,NA,"PDBC05581","639524","Present",NA,NA
+"5582","(5E)-5-Benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one",NA,"C1=CC=C(C=C1)C=C2C(=O)N=C(S2)NC3=NC(=CS3)C4=CSC(=N4)NC5=NC(=O)C(=CC6=CC=CC=C6)S5","ODEXMQQKNBMQLZ-AYKLPDECSA-N",24204060,NA,"PDBC05582","730518","Present",NA,NA
+"5583","(5E)-5-Benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-2-[[4-[2-[[(5E)-5-benzylidene-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one",NA,"CC1=C(N=C(S1)NC2=NC(=O)C(=CC3=CC=CC=C3)S2)C4=C(SC(=N4)NC5=NC(=O)C(=CC6=CC=CC=C6)S5)C","PFKHTPULULIICX-IWGRKNQJSA-N",24204064,NA,"PDBC05583","730522","Present",NA,NA
+"5584","(5E)-5-Benzylidene-3-(2,4,5-trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(2,4,5-trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC(=C(C=C4Cl)Cl)Cl","NNYXCBVHQBOSQP-LSFURLLWSA-N",5470506,NA,"PDBC05584","702355","Present",NA,NA
+"5585","(5E)-5-Benzylidene-3-(2,5-dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(2,5-dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=C(C=CC(=C4)Cl)Cl","JWKWFKQRWTXGOI-SSDVNMTOSA-N",5470511,NA,"PDBC05585","702360","Present",NA,NA
+"5586","(5E)-5-Benzylidene-3-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=C(C=C1)OC)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","FEOBAXUXUVHCRN-ZMOGYAJESA-N",5470509,NA,"PDBC05586","702358","Present",NA,NA
+"5587","(5E)-5-Benzylidene-3-(2-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(2-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC=CC=C4Cl","XWBBZFISGXRNFX-LPYMAVHISA-N",5470503,NA,"PDBC05587","702352","Present",NA,NA
+"5588","(5E)-5-Benzylidene-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC=CC=C1N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","GOGVRUFIDNQCJI-OEAKJJBVSA-N",5470501,NA,"PDBC05588","702350","Present",NA,NA
+"5589","(5E)-5-Benzylidene-3-(3,4-dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(3,4-dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC(=C(C=C4)Cl)Cl","KOWBOELHNPEWTL-SSDVNMTOSA-N",5470505,NA,"PDBC05589","702354","Present",NA,NA
+"5590","(5E)-5-Benzylidene-3-(3-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(3-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC(=CC=C4)Cl","BJTXNTFLIHAUAD-WSDLNYQXSA-N",5470498,NA,"PDBC05590","702347","Present",NA,NA
+"5591","(5E)-5-Benzylidene-3-(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(3-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC=CC(=C1)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","NYYYTJFUNWCONF-YDZHTSKRSA-N",5470513,NA,"PDBC05591","702362","Present",NA,NA
+"5592","(5E)-5-Benzylidene-3-(3-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(3-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC(=CC=C4)[N+](=O)[O-]","NTYZVUITGAEFLS-WSDLNYQXSA-N",5470500,NA,"PDBC05592","702349","Present",NA,NA
+"5593","(5E)-5-Benzylidene-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(4-chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC=C(C=C4)Cl","DGOMKCKXTMYIFK-LPYMAVHISA-N",5470502,NA,"PDBC05593","702351","Present",NA,NA
+"5594","(5E)-5-Benzylidene-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC=C(C=C1)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","WJTUTCLYEBNWMK-OEAKJJBVSA-N",5470507,NA,"PDBC05594","702356","Present",NA,NA
+"5595","(5E)-5-Benzylidene-3-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-(4-nitrophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC=C(C=C4)[N+](=O)[O-]","BYNKPXKXCGQSQH-LPYMAVHISA-N",5470499,NA,"PDBC05595","702348","Present",NA,NA
+"5596","(5E)-5-Benzylidene-3-hydroxy-4-phenylfuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-hydroxy-4-phenylfuran-2-one",NA,"C1=CC=C(C=C1)C=C2C(=C(C(=O)O2)O)C3=CC=CC=C3","LNDFHYYSUASBFX-SDNWHVSQSA-N",54607928,NA,"PDBC05596","370867","Present",NA,NA
+"5597","(5E)-5-Benzylidene-3-pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-3-pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)C(=CC3=CC=CC=C3)S2)C4=CC=CC=N4","MHKQDHBBJPROAR-DEDYPNTBSA-N",5470514,NA,"PDBC05597","702363","Present",NA,NA
+"5598","(5E)-5-Benzylidene-4-chloroimidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684376",NA,"C1=CC=C(C=C1)C=C2C(=NC(=S)N2)Cl","LWUOKRXOLULQIB-SOFGYWHQSA-N",6381904,NA,"PDBC05598","684376","Present",NA,NA
+"5599","(5E)-5-Benzylidene-7,8,9,10-tetrahydro-6H-acridin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-7,8,9,10-tetrahydro-6H-acridin-4-ol",NA,"C1CC2=C(C(=CC3=CC=CC=C3)C1)NC4=C(C2)C=CC=C4O","APFJQKMJGRYJJG-NTCAYCPXSA-N",5467325,NA,"PDBC05599","650731","Present",NA,NA
+"5600","(5E)-5-Benzylidene-9-butyl-2,3,4,6,7,8-hexahydro-1H-acridin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-9-butyl-2,3,4,6,7,8-hexahydro-1H-acridin-4-ol",NA,"CCCCC1=C2CCCC(C2=NC3=C1CCCC3=CC4=CC=CC=C4)O.Br","ITQZXYZRLNINFE-HYNBPGMHSA-N",5467327,NA,"PDBC05600","650745","Present",NA,NA
+"5601","(5E)-5-Benzylidene-9-butyl-3-(dimethylaminomethyl)-1,2,3,6,7,8-hexahydroacridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-9-butyl-3-(dimethylaminomethyl)-1,2,3,6,7,8-hexahydroacridin-4-one",NA,"CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCC(C4=O)CN(C)C","FXNOBZXJWIVQAE-LVZFUZTISA-N",5467330,NA,"PDBC05601","650748","Present",NA,NA
+"5602","(5E)-5-Ethylidene-2,3a,4,5a,10b,10c-hexahydro-1H-indeno[5,4-b]benzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Ethylidene-2,3a,4,5a,10b,10c-hexahydro-1H-indeno[5,4-b]benzofuran-3-one",NA,"CC=C1CC2C(CCC2=O)C3C1OC4=CC=CC=C34","YXLYWUVAEIQGLX-WTDSWWLTSA-N",5469352,NA,"PDBC05602","686965","Present",NA,NA
+"5603","(5E)-5-[(2-Chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(2-Chlorophenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride",NA,"CN(C)CCC1(CCC(=CC2=CC=CC=C2Cl)C1=O)C3=CCCC3.Cl","COWFBCZOUKVQRB-INTLEYBYSA-N",6516863,NA,"PDBC05603","639626","Present",NA,NA
+"5604","(5E)-5-[(2-Hydroxyphenyl)methylene]-2-thioxo-imidazolidin-4-one; piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(2-Hydroxyphenyl)methylene]-2-thioxo-imidazolidin-4-one; piperidine",NA,"C1CCNCC1.C1=CC=C(C(=C1)C=C2C(=O)NC(=S)N2)O","KDYCAJZAFGCPTM-GZOLSCHFSA-N",6477907,NA,"PDBC05604","684372","Present",NA,NA
+"5605","(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-ethylcyclopentan-1-one;hydrochloride",NA,"CCC1(CCC(=CC2=CC(=C(C=C2)OC)OC)C1=O)CN(C)C.Cl","AIINJISYVLAZTD-KRWCAOSLSA-N",6516854,NA,"PDBC05605","639537","Present",NA,NA
+"5606","(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride",NA,"CC1(CCC(=CC2=CC(=C(C=C2)OC)OC)C1=O)CN(C)C.Cl","JECYHPFBSUIPRE-KMZJGFRYSA-N",6516843,NA,"PDBC05606","639530","Present",NA,NA
+"5607","(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-2-phenylimino-3-propyl-1,3-thiazolidin-4-one",NA,"CCCN1C(=O)C(=CC2=CC(=C(C=C2)OC)OC)SC1=NC3=CC=CC=C3","HOKDIDNVQXZAOE-QTQSSRPMSA-N",5471345,NA,"PDBC05607","710595","Present",NA,NA
+"5608","(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(3,4-Dimethoxyphenyl)methylidene]-3-phenyl-2-propylimino-1,3-thiazolidin-4-one",NA,"CCCN=C1N(C(=O)C(=CC2=CC(=C(C=C2)OC)OC)S1)C3=CC=CC=C3","WYNNAMQUFKBHFR-QTQSSRPMSA-N",5471348,NA,"PDBC05608","710598","Present",NA,NA
+"5609","(5E)-5-[(3,5-Ditert-butyl-4-hydroxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(3,5-Ditert-butyl-4-hydroxyphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)N(C(=S)N2)CC=C","XHFPXYGSFNZYDA-FOWTUZBSSA-N",5471168,NA,"PDBC05609","709117","Present",NA,NA
+"5610","(5E)-5-[(3-Bromo-4-methoxyphenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(3-Bromo-4-methoxyphenyl)methylidene]-2-(cyclopenten-1-yl)-2-[2-(dimethylamino)ethyl]cyclopentan-1-one;hydrochloride",NA,"CN(C)CCC1(CCC(=CC2=CC(=C(C=C2)OC)Br)C1=O)C3=CCCC3.Cl","GRAGNGDPFTWMFH-KLSJZZFUSA-N",10027011,NA,"PDBC05610","639624","Present",NA,NA
+"5611","(5E)-5-[(3-Bromo-4-methoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(3-Bromo-4-methoxyphenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride",NA,"CC1(CCC(=CC2=CC(=C(C=C2)OC)Br)C1=O)CN(C)C.Cl","BEYOQIAVGVVBCL-KJEVSKRMSA-N",6516841,NA,"PDBC05611","639528","Present",NA,NA
+"5612","(5E)-5-[(3-Phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(3-Phenylquinoxalin-2-yl)hydrazinylidene]pentane-1,2,3,4-tetrol",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2NN=CC(C(C(CO)O)O)O","XTHMAXOETJHZRF-KEBDBYFISA-N",24205451,NA,"PDBC05612","735809","Present",NA,NA
+"5613","(5E)-5-[(4-Chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(4-Chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-methylcyclopentan-1-one;hydrochloride",NA,"CC1(CCC(=CC2=CC=C(C=C2)Cl)C1=O)CN(C)C.Cl","MTPAOLHUCNSGEQ-RSGUCCNWSA-N",6516836,NA,"PDBC05613","639525","Present",NA,NA
+"5614","(5E)-5-[(4-Chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(4-Chlorophenyl)methylidene]-2-[(dimethylamino)methyl]-2-prop-2-enylcyclopentan-1-one;hydrochloride",NA,"CN(C)CC1(CCC(=CC2=CC=C(C=C2)Cl)C1=O)CC=C.Cl","KFCGCZFXJWCIDD-JRUHLWALSA-N",6516849,NA,"PDBC05614","639533","Present",NA,NA
+"5615","(5E)-5-[(4-Chlorophenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(4-Chlorophenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one",NA,"C1=CC(=CC=C1C=C2C(=O)N=C(S2)NC3=NC(=CS3)C4=CSC(=N4)NC5=NC(=O)C(=CC6=CC=C(C=C6)Cl)S5)Cl","OONMAMOJCDABPF-LQGKIZFRSA-N",24204062,NA,"PDBC05615","730520","Present",NA,NA
+"5616","(5E)-5-[(4-Dimethylaminophenyl)methylene]-2-thioxo-imidazolidin-4-one; piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(4-Dimethylaminophenyl)methylene]-2-thioxo-imidazolidin-4-one; piperidine",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=S)N2.C1CCNCC1","GDBBGMATVIPTOI-HCUGZAAXSA-N",6477908,NA,"PDBC05616","684373","Present",NA,NA
+"5617","(5E)-5-[(4-Methoxyphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(4-Methoxyphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-5-methyl-1,3-thiazol-4-yl]-5-methyl-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one",NA,"CC1=C(N=C(S1)NC2=NC(=O)C(=CC3=CC=C(C=C3)OC)S2)C4=C(SC(=N4)NC5=NC(=O)C(=CC6=CC=C(C=C6)OC)S5)C","KUGCTFSTYXYJFY-JFMUQQRKSA-N",24204066,NA,"PDBC05617","730524","Present",NA,NA
+"5618","(5E)-5-[(4-Methylphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(4-Methylphenyl)methylidene]-2-[[4-[2-[[(5E)-5-[(4-methylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]amino]-1,3-thiazol-4-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)N=C(S2)NC3=NC(=CS3)C4=CSC(=N4)NC5=NC(=O)C(=CC6=CC=C(C=C6)C)S5","DFDIKEAYXPECRA-XHQRYOPUSA-N",24204061,NA,"PDBC05618","730519","Present",NA,NA
+"5619","(5E)-5-[[(5E)-5-[[5-[(Z)-(4,4-Dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethylpyrrol-2-yl]methylidene]-4,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrol-2-yl]methylidene]-2,4,4-trimethyl-1-(trifluoromethylsulfonyl)pyrrolidine-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[[(5E)-5-[[5-[(Z)-(4,4-Dimethyl-5-oxopyrrolidin-2-ylidene)methyl]-4,4-dimethylpyrrol-2-yl]methylidene]-4,4-dimethyl-1-(trifluoromethylsulfonyl)pyrrol-2-yl]methylidene]-2,4,4-trimethyl-1-(triflu",NA,"CC1(CC(=CC2=NC(=CC2(C)C)C=C3C(C=C(N3S(=O)(=O)C(F)(F)F)C=C4C(CC(N4S(=O)(=O)C(F)(F)F)(C)C#N)(C)C)(C)C)NC1=O)C","WIQLAHKDHZERSM-RXDLLMILSA-N",5471912,NA,"PDBC05619","715335","Present",NA,NA
+"5620","(5E)-5-[[4-(Diethylamino)phenyl]methylidene]imidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-(4-(diethylamino)benzylidene)imidazolidine-2,4-dione",NA,"CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N2","QSFFDFDTLWXQFV-FMIVXFBMSA-N",6376972,NA,"PDBC05620","750233","Present",NA,NA
+"5621","(5E)-5-[[4-Hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[[4-Hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]pentane-1,2,3,4-tetrol",NA,"C1=CC=C2C(=C1)C(=CC3=C(N=C(N3)NN=CC(C(C(CO)O)O)O)O)C=N2","FSYITJUFFRMQIS-JDWHJCHUSA-N",135505210,NA,"PDBC05621","704863","Present",NA,NA
+"5622","(5E,6Z)-5,6-Bis(phenylhydrazinylidene)hexane-2,3,4-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E,6Z)-5,6-Bis(phenylhydrazinylidene)hexane-2,3,4-triol",NA,"CC(C(C(C(=NNC1=CC=CC=C1)C=NNC2=CC=CC=C2)O)O)O","LUUVKBNRGZNGPZ-PELXRNIYSA-N",54607933,NA,"PDBC05622","405935","Present",NA,NA
+"5623","(5E,6Z)-5,6-Bis[(6,8-dibromoquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC716033///NSC716034",NA,"C1=C(C=C(C2=C1C(=NC=N2)NN=CC(=NNC3=NC=NC4=C3C=C(C=C4Br)Br)C(C(C(CO)O)O)O)Br)Br","CNRLWXPTJQGNBD-CIDSACJKSA-N",54611942,NA,"PDBC05623","716033///716034","Present",NA,NA
+"5624","(5E,6Z)-5,6-Bis[(6-bromoquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E,6Z)-5,6-Bis[(6-bromoquinazolin-4-yl)hydrazinylidene]hexane-1,2,3,4-tetrol",NA,"C1=CC2=C(C=C1Br)C(=NC=N2)NN=CC(=NNC3=NC=NC4=C3C=C(C=C4)Br)C(C(C(CO)O)O)O","NEGAWDLFWMRJPK-NMVYXVHHSA-N",54611940,NA,"PDBC05624","716030","Present",NA,NA
+"5625","(5E,6Z)-6-[(E)-1-(4-Chlorophenyl)ethylidenehydrazinylidene]-5-(dimethylaminomethylidene)-1-methyl-1,3-diazinane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E,6Z)-6-[(E)-1-(4-Chlorophenyl)ethylidenehydrazinylidene]-5-(dimethylaminomethylidene)-1-methyl-1,3-diazinane-2,4-dione",NA,"CC(=NN=C1C(=CN(C)C)C(=O)NC(=O)N1C)C2=CC=C(C=C2)Cl","PKIXMBJLCHTOJY-QOHLMHBPSA-N",9572085,NA,"PDBC05625","702927","Present",NA,NA
+"5626","(5R)-3-(2,4-Dichloro-5-fluorophenyl)-5-[5-(4-nitrophenyl)furan-2-yl]-4,5-dihydro-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5r)-3-(2,4-Dichloro-5-fluoro-phenyl)-5-[5-(4-nitrophenyl)-2-furyl]-4,5-dihydro-1h-pyrazole",NA,"C1C(NN=C1C2=CC(=C(C=C2Cl)Cl)F)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]","PRSRMBIOUHWFMP-QGZVFWFLSA-N",399722,NA,"PDBC05626","710768","Present",NA,NA
+"5627","(5R)-3-(4-Chlorophenyl)-5-[5-(3-nitrophenyl)furan-2-yl]-4,5-dihydro-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5r)-3-(4-Chlorophenyl)-5-[5-(3-nitrophenyl)-2-furyl]-4,5-dihydro-1h-pyrazole",NA,"C1C(NN=C1C2=CC=C(C=C2)Cl)C3=CC=C(O3)C4=CC(=CC=C4)[N+](=O)[O-]","YSCLRLYWQWXUPT-QGZVFWFLSA-N",399724,NA,"PDBC05627","710770","Present",NA,NA
+"5628","(5R)-3-Hydroxy-1-methyl-5-phenylpyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684752",NA,"CN1C(CC(C1=O)O)C2=CC=CC=C2","STTZQKMZENIDNM-YHMJZVADSA-N",389093,NA,"PDBC05628","684752","Present",NA,NA
+"5629","(5R)-6-[(2R)-2-[Tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R)-6-[(2R)-2-[Tert-butyl(diphenyl)silyl]oxy-1-hydroxypropyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-one",NA,"CC1=CCC(C(C1=O)C(C(C)O[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O)C(C)C","UNKZYPANFYTNKX-HVNZUTIVSA-N",401700,NA,"PDBC05629","715430","Present",NA,NA
+"5630","(5R*,5]Dec-7-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R*,6S*)-7-Ethyl-8-(p-methoxyphenyl)-6-methyl-1-oxo-2-a...",NA,"CCC1=C(CCC2(C1C)CCNC2=O)C3=CC=C(C=C3)OC","HLOROWSFWSHOTM-YJYMSZOUSA-N",6711218,NA,"PDBC05630","298872","Present",NA,NA
+"5631","(5R,5Ar,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,5Ar,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)C6=C(C=C(C7=C6OC(C(C7)O)C8=CC(=C(C=C8)O)O)O)O","VSCRRRCQTIUCAW-OOLGDHILSA-N",397857,NA,"PDBC05631","706480","Present",NA,NA
+"5632","(5R,5Ar,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,5Ar,8aR,9S)-9-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5-(4-hydroxy-3,5-dimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)C6=C(C=C(C7=C6OC(C(C7)O)C8=CC(=C(C=C8)O)O)O)O","SNCVGHNZFLSKTI-ITXIKNEJSA-N",397858,NA,"PDBC05632","706481","Present",NA,NA
+"5633","(5R,5As)-5-(diethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydro-[1]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,5As)-5-(diethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,8a,9-tetrahydro-[1]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride",NA,"CCN(CC)C1C2C(C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC)C(=O)CO2.Cl","MKBFKDXLDJXDHT-JNNDVCOTSA-N",372832,NA,"PDBC05633","648491","Present",NA,NA
+"5634","(5R,5As)-5-[2-(dimethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6-one, 5,5a,6,8...",NA,"CN(C)CCOC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl","STEJYCHVFIJIBV-WWGZZMNBSA-N",371049,NA,"PDBC05634","644945","Present",NA,NA
+"5635","(5R,6R)-1,3-Dibromo-5,6-dihydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,6R)-1,3-Dibromo-5,6-dihydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1(C(C(=O)C2=C(SC(=C21)Br)Br)O)O","GVOBFCMMTILMQG-NQXXGFSBSA-N",398919,NA,"PDBC05635","709153","Present",NA,NA
+"5636","(5R,6R)-5-Chloro-6-nitrobicyclo[2.2.1]hept-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,6R)-5-Chloro-6-nitrobicyclo[2.2.1]hept-2-ene",NA,"C1C2C=CC1C(C2[N+](=O)[O-])Cl","UQVBCWMZQBGEDP-TVVDDFTJSA-N",6711504,NA,"PDBC05636","629123","Present",NA,NA
+"5637","(5R,6S)-5-Phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene-4-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,6S)-5-Phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene-4-carbothioamide",NA,"C1CC2C(N(N=C2C3=CC=CC=C3C1)C(=S)N)C4=CC=CC=C4","HJBMTSFCVBTNOF-AEFFLSMTSA-N",5467466,NA,"PDBC05637","652809","Present",NA,NA
+"5638","(5R,8Ar,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,8Ar,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"CC(C)C1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OC)OC)O)O","MZXAMKYTGFSPHR-WPWKEMPVSA-N",388572,NA,"PDBC05638","683583","Present",NA,NA
+"5639","(5R,8Ar,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,8Ar,9R)-5-[(7,8-dihydroxy-2-propan-2-yl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl)oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-on",NA,"CC(C)C1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O","SRLJFQNAJBXCHO-FLZICNFKSA-N",388573,NA,"PDBC05639","683584","Present",NA,NA
+"5640","(5R,8Ar,9R)-5-[[2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,8Ar,9R)-5-[[2-(furan-2-yl)-7,8-dihydroxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CO8)O)O","AQRJBWFVLCAKFF-CLIFMDCGSA-N",388571,NA,"PDBC05640","683582","Present",NA,NA
+"5641","(5R,8As,9S)-5-[(4-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,8As,9S)-5-[(4-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC=C(C=C6)F","KPTPAZOGVODZMU-LRACKPSESA-N",369914,NA,"PDBC05641","642281","Present",NA,NA
+"5642","(5R,8As,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(4-nitrophenyl)methylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,8As,9S)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[(4-nitrophenyl)methylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC=C(C=C6)[N+](=O)[O-]","PXPYSACVTXZLEY-LRACKPSESA-N",369913,NA,"PDBC05642","642280","Present",NA,NA
+"5643","(5R,8R)-3,8-Dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5r,8r)-5-[(1s)-1,5-Dimethylhex-4-en-1-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol",NA,"CC1CCC(C2=C1C=C(C(=C2)C)O)C(C)CCC=C(C)C","HWRNTAPYVJUXEL-ZMSDIMECSA-N",401065,NA,"PDBC05643","713793","Present",NA,NA
+"5644","(5R,8S)-1,3-Diphenyl-5alpha-chloro-8-(4-nitrophenylthio)-4,5,6,7-tetrahydro-4alpha,7alpha-methano-2H-isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,7R,8R,10S)-8-Chloro-10-(4-nitrophenyl)sulfanyl-3,5-diphenyl-4-azatricyclo[5.2.1.02,6]deca-2,5-diene",NA,"C1C2C(C(C1Cl)C3=C(NC(=C23)C4=CC=CC=C4)C5=CC=CC=C5)SC6=CC=C(C=C6)[N+](=O)[O-]","SNMIAKMXWHCOED-YBMQWUKTSA-N",402639,NA,"PDBC05644","716814","Present",NA,NA
+"5645","(5R,8S)-2-Hydroxy-3,8-dimethyl-5-[(1S)-1,5-dimethyl-5-hydroxy-3-hexenyl]-5,6,7,8-tetrahydronaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R,8S)-4-Hydroxy-5-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-3,8-dimethyl-5,6,7,8-tetrahydronaphthalene-1,2-dione",NA,"CC1CCC(C2=C1C(=O)C(=O)C(=C2O)C)C(C)CC=CC(C)(C)O","RYXLTIJJGWMQLP-SEFVESRXSA-N",5472716,NA,"PDBC05645","721060","Present",NA,NA
+"5646","(5S) N-[(2'R)-Methyl-3'oxobutanoyl]-4-aza-2-oxa-6,10-methylene-5-spiro(4,5)decanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S) N-[(2'R)-Methyl-3'oxobutanoyl]-4-aza-2-oxa-6,6-di- ...",NA,"CC(C(=O)C)C(=O)N1C(=O)OCC12C3CCC(C3)C2(C)C","UHRNOROBBJATRU-WKCLZBRGSA-N",384445,NA,"PDBC05646","674226","Present",NA,NA
+"5647","(5S)-2-(2,4-Dimethoxy-3-phenylmethoxyphenyl)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S)-2-(2,4-Dimethoxy-3-phenylmethoxyphenyl)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole",NA,"COCC1C(OC(=N1)C2=C(C(=C(C=C2)OC)OCC3=CC=CC=C3)OC)C4=CC=CC=C4","WNYYUDHVWAAPOH-YANBTOMASA-N",359188,NA,"PDBC05647","619870","Present",NA,NA
+"5648","(5S)-2-Oxo-3-thia-1-azabicyclo[3.3.0]octane3,3-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S)-2-Oxo-3-thia-1-azabicyclo[3.3.0]octane3,3-dioxide",NA,"C1CC2CS(=O)(=O)C(=O)N2C1","AEPZRULXCKGTFI-YFKPBYRVSA-N",397195,NA,"PDBC05648","704602","Present",NA,NA
+"5649","(5S)-2-[2-[6-(1,3-Dioxan-2-yl)-1,3-benzodioxol-5-yl]-3,4,5-trimethoxyphenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S)-2-[2-[6-(1,3-Dioxan-2-yl)-1,3-benzodioxol-5-yl]-3,4,5-trimethoxyphenyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole",NA,"COCC1C(OC(=N1)C2=CC(=C(C(=C2C3=CC4=C(C=C3C5OCCCO5)OCO4)OC)OC)OC)C6=CC=CC=C6","NSGXGRNOJSUXOJ-ZUILJJEPSA-N",359195,NA,"PDBC05649","619877","Present",NA,NA
+"5650","(5S)-5-[4-(Dimethylamino)-N-methylanilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S)-5-[4-(Dimethylamino)-N-methylanilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,"CN(C)C1=CC=C(C=C1)N(C)C2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC.Cl","PLPGHVSWAOUNEL-CTIUGHHFSA-N",372828,NA,"PDBC05650","648489","Present",NA,NA
+"5651","(5S)-5-[Tert-butyl(dimethyl)silyl]oxy-6-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S)-5-[Tert-butyl(dimethyl)silyl]oxy-6-methyl-3a,4,5,6,7,7a-hexahydro-3H-1-benzofuran-2-one",NA,"CC1CC2C(CC1O[Si](C)(C)C(C)(C)C)CC(=O)O2","UGFZWYXEABYLGG-ARAJFMJPSA-N",359577,NA,"PDBC05651","620569","Present",NA,NA
+"5652","(5S*,5]Dec-7-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S*,6S*)-7-Ethyl-8-(p-methoxyphenyl)-6-methyl-1-oxo-2-a...",NA,"CCC1=C(CCC2(C1C)CCNC2=O)C3=CC=C(C=C3)OC","HLOROWSFWSHOTM-BFUOFWGJSA-N",326870,NA,"PDBC05652","299205","Present",NA,NA
+"5653","(5S,5Ar)-5-(2-aminoethoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-(...",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OCCN.Cl","IYAJFFYSIFVYDY-BTGNAHPESA-N",371051,NA,"PDBC05653","644946","Present",NA,NA
+"5654","(5S,5As)-5-(dimethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,5As)-5-(dimethylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,"CN(C)C1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl","KDUXNNHTCHNIMH-LNGTUHNESA-N",372830,NA,"PDBC05654","648490","Present",NA,NA
+"5655","(5S,5As)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,5As)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"CN(C)CCCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC","YPFPNLDTVOTTIA-MQFPMGNJSA-N",375034,NA,"PDBC05655","653860","Present",NA,NA
+"5656","(5S,5As)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,5As)-5-[3-(dimethylamino)propylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,"CN(C)CCCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl","BWBBLAWXXOKYFG-XXZGRVGKSA-N",375035,NA,"PDBC05656","653861","Present",NA,NA
+"5657","(5S,5As)-5-[4-(dimethylamino)anilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,5As)-5-[4-(dimethylamino)anilino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride",NA,"CN(C)C1=CC=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC.Cl","ROCVDBYEOWFWTN-IEYOGHBKSA-N",371053,NA,"PDBC05657","644947","Present",NA,NA
+"5658","(5S,5As,8aR,9R)-5-(2-benzoyl-4-chloroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,5As,8aR,9R)-5-(2-benzoyl-4-chloroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)Cl)C(=O)C7=CC=CC=C7","NTGSJJQELKJCCH-YZCUKXFTSA-N",387685,NA,"PDBC05658","681711","Present",NA,NA
+"5659","(5S,5As,8aR,9R)-5-(2-benzoyl-4-nitroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,5As,8aR,9R)-5-(2-benzoyl-4-nitroanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)[N+](=O)[O-])C(=O)C7=CC=CC=C7","QALOZSDFUKQUIP-YZCUKXFTSA-N",387687,NA,"PDBC05659","681713","Present",NA,NA
+"5660","(5S,5As,8aR,9R)-5-(2-benzoylanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,5As,8aR,9R)-5-(2-benzoylanilino)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6C(=O)C7=CC=CC=C7","VAVLEWZEWRTESR-YZCUKXFTSA-N",387684,NA,"PDBC05660","681710","Present",NA,NA
+"5661","(5S,5As,8aR,9R)-5-[4-chloro-2-(2-chlorobenzoyl)anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,5As,8aR,9R)-5-[4-chloro-2-(2-chlorobenzoyl)anilino]-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=C(C=C(C=C6)Cl)C(=O)C7=CC=CC=C7Cl","JPTYRQOYOGPYKK-FPMZXNSHSA-N",387686,NA,"PDBC05661","681712","Present",NA,NA
+"5662","(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCNCCO.Cl","IKOWPMLXTLTFPC-ZBWZZBALSA-N",380415,NA,"PDBC05662","665936","Present",NA,NA
+"5663","(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(methylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[3',4':6,7]naptho[2,3-d]-1,3-dioxol-6(5H)-one, 5a,8,...",NA,"CNCCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl","MADQCVBKHMXYEU-GASZGAMQSA-N",380412,NA,"PDBC05663","665934","Present",NA,NA
+"5664","(5S,6R)-1,3-Dibromo-5,6-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,6R)-1,3-Dibromo-5,6-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1(C(C(=O)C2=C(SC(=C21)Br)Br)Cl)Cl","YPLALNOTCKAOQJ-QWWZWVQMSA-N",398923,NA,"PDBC05664","709157","Present",NA,NA
+"5665","(5S,6R,8Ar)-5-[2-(furan-3-yl)-2-oxoethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,6R,8Ar)-5-[2-(furan-3-yl)-2-oxoethyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid",NA,"CC1CCC2(C(C1(C)CC(=O)C3=COC=C3)CCC=C2C(=O)O)C","VXVZOLCENMIHPM-LURWVKDOSA-N",390655,NA,"PDBC05665","688258","Present",NA,NA
+"5666","(5S,7Ar)-5-hydroxy-3,7a-dimethoxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,7Ar)-5-hydroxy-3,7a-dimethoxy-6-methyl-4,5,6,7-tetrahydro-1-benzofuran-2-one",NA,"CC1CC2(C(=C(C(=O)O2)OC)CC1O)OC","RJIHWRNCWUHMDN-GNNFCSPASA-N",359578,NA,"PDBC05666","620570","Present",NA,NA
+"5667","(5S,8Ar)-5-(1,3-benzodioxol-5-ylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-5-(1,3-benzodioxol-5-ylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=C6)OCO7","OCUTXKAKMUXIAQ-YVRXRDEISA-N",363633,NA,"PDBC05667","628662","Present",NA,NA
+"5668","(5S,8Ar)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-5-(3,4-dimethoxyanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=C(C=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)OC","BXSBVTBXQRANDX-SCWZWCFPSA-N",363649,NA,"PDBC05668","628677","Present",NA,NA
+"5669","(5S,8Ar)-5-(3-acetylanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-5-(3-acetylanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"CC(=O)C1=CC(=CC=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","UOSWXYRSLPRKBZ-WXIMRCAWSA-N",363640,NA,"PDBC05669","628669","Present",NA,NA
+"5670","(5S,8Ar)-5-(4-aminoanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aH)-one, 9-[...",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)N.Cl","UCWYAMAHWNCEOU-FEKGNFRDSA-N",363647,NA,"PDBC05670","628676","Present",NA,NA
+"5671","(5S,8Ar)-5-(4-fluorophenoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-5-(4-fluorophenoxy)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6=CC=C(C=C6)F","UMMMPHSPVYALOO-MRIXDANNSA-N",363653,NA,"PDBC05671","628681","Present",NA,NA
+"5672","(5S,8Ar)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6CCN(CC6)CC7=CC=CC=C7","GQMFUALQPLOONU-NQSSNSDLSA-N",374330,NA,"PDBC05672","651854","Present",NA,NA
+"5673","(5S,8Ar)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-5-[(1-benzylpiperidin-4-yl)amino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6CCN(CC6)CC7=CC=CC=C7.Cl","QPVFETQLJNDTAC-XIDRKSSOSA-N",374331,NA,"PDBC05673","651855","Present",NA,NA
+"5674","(5S,8Ar)-5-[2-(dimethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-5-[2-(dimethylamino)ethoxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"CN(C)CCOC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC","ZGHKEJXIWOMFNA-OPFYLNGXSA-N",371464,NA,"PDBC05674","645737","Present",NA,NA
+"5675","(5S,8Ar)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"CN(C)CCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC","PGHGGOHEWBODPG-WVVMFJAESA-N",374336,NA,"PDBC05675","651860","Present",NA,NA
+"5676","(5S,8Ar)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-5-[2-(dimethylamino)ethylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,"CN(C)CCNC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)O)OC.Cl","ZDGAQEWFWMFJLV-WYOHYIEUSA-N",374337,NA,"PDBC05676","651861","Present",NA,NA
+"5677","(5S,8Ar)-5-anilino-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-5-anilino-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6","HYAITYUXKHHWLQ-PUEOPUMLSA-N",363652,NA,"PDBC05677","628680","Present",NA,NA
+"5678","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCN6CCOCC6","XJELDDZCOWMPQO-PUEOPUMLSA-N",374332,NA,"PDBC05678","651856","Present",NA,NA
+"5679","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-morpholin-4-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCN6CCOCC6.Cl","MHTBGZOLKFEGKU-FEKGNFRDSA-N",374333,NA,"PDBC05679","651857","Present",NA,NA
+"5680","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCN6CCCCC6","BVESBBFTRAGARG-LYJLOTJCSA-N",374326,NA,"PDBC05680","651850","Present",NA,NA
+"5681","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-piperidin-1-ylethylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one;hydrochloride",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCN6CCCCC6.Cl","GQNBYLRGRRHGMU-YXXOECCOSA-N",374327,NA,"PDBC05681","651851","Present",NA,NA
+"5682","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-methoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-methoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC=CC(=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","KZUPXTWILKSDPH-LYJLOTJCSA-N",363638,NA,"PDBC05682","628667","Present",NA,NA
+"5683","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(3-nitroanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC(=CC=C6)[N+](=O)[O-]","OSNQMLDRHAFGFD-PUEOPUMLSA-N",363641,NA,"PDBC05683","628670","Present",NA,NA
+"5684","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-morpholin-4-ylanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-morpholin-4-ylanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)N7CCOCC7","SABCZMGALMNHPA-MDGOSCKESA-N",363635,NA,"PDBC05684","628664","Present",NA,NA
+"5685","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-phenoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(4-phenoxyanilino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)OC7=CC=CC=C7","UAAVRICFSYRAKY-NQSSNSDLSA-N",363644,NA,"PDBC05685","628673","Present",NA,NA
+"5686","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(quinolin-3-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(quinolin-3-ylamino)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC7=CC=CC=C7N=C6","WGVCJBRLEDPWPV-VNAROETBSA-N",363637,NA,"PDBC05686","628666","Present",NA,NA
+"5687","(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3-(hydroxymethyl)anilino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[3-(hydroxymethyl)anilino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC(=C6)CO","AWOQMBAPRCYFBX-LYJLOTJCSA-N",363646,NA,"PDBC05687","628675","Present",NA,NA
+"5688","(5S,8Ar,9R)-5-(benzylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar,9R)-5-(benzylamino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC=CC=C6","XZLSTDFFFYMQHP-HIQAHLLCSA-N",369912,NA,"PDBC05688","642279","Present",NA,NA
+"5689","(5S,8Ar,9R)-5-[(2-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar,9R)-5-[(2-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC=CC=C6F","JRBQYUOXPRFHDP-PSJIIWDDSA-N",369916,NA,"PDBC05689","642283","Present",NA,NA
+"5690","(5S,8Ar,9R)-5-[(3-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8Ar,9R)-5-[(3-fluorophenyl)methylamino]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC(=CC=C6)F","OLGPRXCDUWIWSG-HIQAHLLCSA-N",369915,NA,"PDBC05690","642282","Present",NA,NA
+"5691","(5S,8R,8Ar)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,8R,8Ar)-5-(4-fluoroanilino)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[5,6-f][1,3]benzodioxol-8-ol",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F","MHPBLSKQDOZLPM-ASZLOBTNSA-N",378226,NA,"PDBC05691","660029","Present",NA,NA
+"5692","(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-Hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1,3(19),20-triene-30,2'-oxane]-26-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-Hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1,",NA,"CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CC7=NC8=C(CC9(C(C8)CCC2C9CCC3(C2CCC3C(C)CCCC(C)C)C)C)N=C7C6)C)O)C)C)OC1","HPCZHBZDSKNOCT-HVCKBXFHSA-N",376536,NA,"PDBC05692","657502","Present",NA,NA
+"5693","(5S,9R,10R,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-10,28-bis(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,9R,10R,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-10,28-bis(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-triene",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(C4)N=C6CC7(C(CCC8C7CCC9(C8CCC9C(C)CCCC(C)C)C)CC6=N5)C)C)C","CKMPPNSWHJFGIM-GYEIACECSA-N",376532,NA,"PDBC05693","657498","Present",NA,NA
+"5694","(5S,9S,10S,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-28-(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-trien-10-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,9S,10S,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-28-(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-trien-10-ol",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(C4)N=C6CC7(C(CCC8C7CCC9(C8CCC9O)C)CC6=N5)C)C)C","WDTKEEAMCLNHIJ-NZIYOZEDSA-N",376534,NA,"PDBC05694","657500","Present",NA,NA
+"5695","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,"CC1=NN(C2(C1=CC3=CC(=C(C=C3)O)OC)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","VNDOCQLTUJVVEX-UNOMPAQXSA-N",135436215,NA,"PDBC05695","713663","Present",NA,NA
+"5696","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-hydroxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,"CC1=NN(C2(C1=CC3=CC=C(C=C3)O)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","XCJINWZVZXFXCJ-MOSHPQCFSA-N",135436214,NA,"PDBC05696","713662","Present",NA,NA
+"5697","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[(4-methoxyphenyl)methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,"CC1=NN(C2(C1=CC3=CC=C(C=C3)OC)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","UEZXFIUUAOYLLH-STZFKDTASA-N",5471785,NA,"PDBC05697","713694","Present",NA,NA
+"5698","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,"CC1=NN(C2(C1=CC3=CC=C(C=C3)N(C)C)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","NMZAJJKXYKHVET-JCMHNJIXSA-N",5471766,NA,"PDBC05698","713664","Present",NA,NA
+"5699","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-(thiophen-2-ylmethylidene)-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-(thiophen-2-ylmethylidene)-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,"CC1=NN(C2(C1=CC3=CC=CS3)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","OWSVDHWIBGVHED-AQTBWJFISA-N",5471786,NA,"PDBC05699","713695","Present",NA,NA
+"5700","(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-[(E)-3-phenylprop-2-enylidene]-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-5-[(E)-3-phenylprop-2-enylidene]-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,"CC1=NN(C2(C1=CC=CC3=CC=CC=C3)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","MWKFVBNQTQDCFH-XNHXLOTDSA-N",5471763,NA,"PDBC05700","713661","Present",NA,NA
+"5701","(5Z)-1-(1,3-Benzothiazol-2-yl)-5-benzylidene-3-chloro-8-(3-chlorophenyl)-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-(1,3-Benzothiazol-2-yl)-5-benzylidene-3-chloro-8-(3-chlorophenyl)-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,"CC1=NN(C2(C1=CC3=CC=CC=C3)C(C(=O)N2C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)Cl","FQUWBDIMZNBBMA-ZHZULCJRSA-N",5471762,NA,"PDBC05701","713660","Present",NA,NA
+"5702","(5Z)-1-(4-Chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-phenyl-4-sulfanylideneimidazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-(4-Chlorophenyl)-5-[(4-chlorophenyl)methylidene]-3-phenyl-4-sulfanylideneimidazolidin-2-one",NA,"C1=CC=C(C=C1)N2C(=S)C(=CC3=CC=C(C=C3)Cl)N(C2=O)C4=CC=C(C=C4)Cl","VDSGTKSJGWQODS-ZHZULCJRSA-N",5472496,NA,"PDBC05702","719623","Present",NA,NA
+"5703","(5Z)-1-Methyl-5-[(pyrimidin-2-ylamino)methylene]hexahydropyrimidine-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-Methyl-5-[(pyrimidin-2-ylamino)methylene]hexahydropyrimidine-2,4,6-trione",NA,"CN1C(=C(C(=O)NC1=O)C=NC2=NC=CC=N2)O","BLGMPGCLOHFNKK-WLRTZDKTSA-N",135484738,NA,"PDBC05703","698572","Present",NA,NA
+"5704","(5Z)-1-Methyl-5-[[(3-methyl-2-pyridyl)amino]methylene]hexahydropyrimidine-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-Methyl-5-[[(3-methyl-2-pyridyl)amino]methylene]hexahydropyrimidine-2,4,6-trione",NA,"CC1=C(N=CC=C1)N=CC2=C(N(C(=O)NC2=O)C)O","NVHPBGSOYDJDDO-MKMNVTDBSA-N",135484737,NA,"PDBC05704","698571","Present",NA,NA
+"5705","(5Z)-1-[(E)-(4-Chlorophenyl)methyleneamino]-5-[(5E)-5-[1-[(E)-(4-chlorophenyl)methyleneamino]-5-cyano-4-methyl-2,6-dioxo-3-pyridylidene]furo[3,4-b]pyrazin-7-ylidene]-4-methyl-2,6-dioxo-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-1-[(E)-(4-Chlorophenyl)methylideneamino]-5-[(5E)-5-[1-[(E)-(4-chlorophenyl)methylideneamino]-5-cyano-4-methyl-2,6-dioxopyridin-3-ylidene]furo[3,4-b]pyrazin-7-ylidene]-4-methyl-2,6-dioxopyridine-3",NA,"CC1=C(C(=O)N(C(=O)C1=C2C3=NC=CN=C3C(=C4C(=C(C(=O)N(C4=O)N=CC5=CC=C(C=C5)Cl)C#N)C)O2)N=CC6=CC=C(C=C6)Cl)C#N","HZRRTSYTIAXOPK-TYMNBSTFSA-N",9554741,NA,"PDBC05705","685673","Present",NA,NA
+"5706","(5Z)-2,9-Dimethoxy-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2,9-Dimethoxy-5,6-dioxido-11,12-dihydrobenzo[c][1,2]benzodiazocine-5,6-diium",NA,"COC1=CC2=C(C=C1)[N+](=[N+](C3=C(CC2)C=C(C=C3)OC)[O-])[O-]","PSEWIQFVVLQNNL-ZCXUNETKSA-N",135484514,NA,"PDBC05706","365400","Present",NA,NA
+"5707","(5Z)-2-(2-Chloro-5-nitro-phenyl)-3-(4-methoxyphenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-(2-Chloro-5-nitrophenyl)-3-(4-methoxyphenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one",NA,"CC(=C1C(=O)N(C(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OC)C4=CC5=CC=CC=C5OC4=O","QSWCSETWBQHEKX-IWIPYMOSSA-N",3004302,NA,"PDBC05707","643739","Present",NA,NA
+"5708","(5Z)-2-(2-Chloro-5-nitro-phenyl)-3-(m-tolyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-(2-Chloro-5-nitro-phenyl)-3-(m-tolyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one",NA,"CC1=CC(=CC=C1)N2C(=NC(=C(C)C3=CC4=CC=CC=C4OC3=O)C2=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl","MEYGLTXFAHMHGG-JLPGSUDCSA-N",3004301,NA,"PDBC05708","643738","Present",NA,NA
+"5709","(5Z)-2-Butylsulfanyl-4-chloro-5-(furan-2-ylmethylidene)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-Butylsulfanyl-4-chloro-5-(furan-2-ylmethylidene)imidazole",NA,"CCCCSC1=NC(=CC2=CC=CO2)C(=N1)Cl","WYDVYCQDNYOJNG-NTMALXAHSA-N",5470879,NA,"PDBC05709","706024","Present",NA,NA
+"5710","(5Z)-2-Butylsulfanyl-5-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-2-Butylsulfanyl-4-[[4-(dimethylamino)phenyl]methylidene]-1H-imidazol-5-one",NA,"CCCCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C(=O)N1","SASDMWYESMARNS-KAMYIIQDSA-N",135505211,NA,"PDBC05710","704868","Present",NA,NA
+"5711","(5Z)-2-Imino-3-phenyl-5-phenylimino-1-[(E)-2-pyridylmethyleneamino]imidazolidine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-Imino-3-phenyl-5-phenylimino-1-[(E)-2-pyridylmethyleneamino]imidazolidine-4-thione",NA,"C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2N=CC3=CC=CC=N3)C4=CC=CC=C4","IWAGBPSMUGVYPU-PRSDJWIOSA-N",9574763,NA,"PDBC05711","671405","Present",NA,NA
+"5712","(5Z)-2-Methylsulfanyl-3-(1-piperidylmethyl)-5-(2-thienylmethylene)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-Methylsulfanyl-3-(1-piperidylmethyl)-5-(2-thienylmethylene)imidazol-4-one",NA,"CSC1=NC(=CC2=CC=CS2)C(=O)N1CN3CCCCC3","ZPGSTKDPLVBGHF-RAXLEYEMSA-N",5469489,NA,"PDBC05712","688952","Present",NA,NA
+"5713","(5Z)-2-Methylsulfanyl-3-(1-piperidylmethyl)-5-(p-tolylmethylene)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-Methylsulfanyl-3-(1-piperidylmethyl)-5-(p-tolylmethylene)imidazol-4-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)CN3CCCCC3","SWOAEJVPQYWSIU-VBKFSLOCSA-N",5469487,NA,"PDBC05713","688950","Present",NA,NA
+"5714","(5Z)-2-Methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-Methylsulfanyl-3-(morpholinomethyl)-5-(2-thienylmethylene)imidazol-4-one",NA,"CSC1=NC(=CC2=CC=CS2)C(=O)N1CN3CCOCC3","GVSINYPEYJLMHI-XFXZXTDPSA-N",5469483,NA,"PDBC05714","688946","Present",NA,NA
+"5715","(5Z)-2-Methylsulfanyl-3-(morpholinomethyl)-5-(p-tolylmethylene)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-Methylsulfanyl-3-(morpholinomethyl)-5-(p-tolylmethylene)imidazol-4-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)CN3CCOCC3","RPSKLECDVUZEOE-PTNGSMBKSA-N",5469481,NA,"PDBC05715","688944","Present",NA,NA
+"5716","(5Z)-2-Phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-Phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(N4)C=CC(=C5)SC6=CC=CC=C6","LGKJCNWULDFVBS-YUMHPJSZSA-N",5472061,NA,"PDBC05716","716166","Present",NA,NA
+"5717","(5Z)-2-Phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-Phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,"CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=NC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)C5=CC=CC=C5","QLXCRSBVRPQPDE-OYKKKHCWSA-N",5472068,NA,"PDBC05717","716173","Present",NA,NA
+"5718","(5Z)-2-Phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-Phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","PGYFPRVAGNJJPX-UQQQWYQISA-N",5471558,NA,"PDBC05718","711872","Present",NA,NA
+"5719","(5Z)-2-Phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-Phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","JUSZXHXJDYIXKG-QQXSKIMKSA-N",5471551,NA,"PDBC05719","711865","Present",NA,NA
+"5720","(5Z)-2-[(1-Hydroxy-3-phenylpropan-2-yl)amino]-5-(quinolin-6-ylmethylidene)-1,3-thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767379///NSC767389",NA,"C1=CC=C(C=C1)CC(CO)N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","KKCUZFMLJMQYMJ-MOSHPQCFSA-N",135428195,NA,"PDBC05720","767379///767389","Present",NA,NA
+"5721","(5Z)-2-[(E)-But-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-[(E)-But-2-enyl]sulfanyl-3-prop-2-enyl-5-(thiophen-2-ylmethylidene)imidazol-4-one",NA,"CC=CCSC1=NC(=CC2=CC=CS2)C(=O)N1CC=C","WAYAVDMXGAGAIO-CMSYKNKYSA-N",5470565,NA,"PDBC05721","703032","Present",NA,NA
+"5722","(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-(furan-2-ylmethylidene)-3-prop-2-enylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-(furan-2-ylmethylidene)-3-prop-2-enylimidazol-4-one",NA,"CC=CCSC1=NC(=CC2=CC=CO2)C(=O)N1CC=C","VBPGFSQVLVYBNJ-CMSYKNKYSA-N",5470566,NA,"PDBC05722","703033","Present",NA,NA
+"5723","(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-chlorophenyl)methylidene]-3-prop-2-enylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-chlorophenyl)methylidene]-3-prop-2-enylimidazol-4-one",NA,"CC=CCSC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CC=C","JKUMZQSHTZCZKL-ALFMNPPXSA-N",5470564,NA,"PDBC05723","703031","Present",NA,NA
+"5724","(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-methoxyphenyl)methylidene]-3-prop-2-enylimidazol-4-one",NA,"CC=CCSC1=NC(=CC2=CC=C(C=C2)OC)C(=O)N1CC=C","VGIIZUUZIAVQKH-MRYLJDLVSA-N",5470562,NA,"PDBC05724","703029","Present",NA,NA
+"5725","(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-methylphenyl)methylidene]-3-prop-2-enylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-[(E)-But-2-enyl]sulfanyl-5-[(4-methylphenyl)methylidene]-3-prop-2-enylimidazol-4-one",NA,"CC=CCSC1=NC(=CC2=CC=C(C=C2)C)C(=O)N1CC=C","ZOQADOSAXINVCP-MRYLJDLVSA-N",5470563,NA,"PDBC05725","703030","Present",NA,NA
+"5726","(5Z)-2-[2-[4-(4-Bromophenyl)thiazol-2-yl]hydrazino]-5-[(3,4,5-trimethoxyphenyl)methylene]thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,5Z)-2-[[4-(4-Bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)NC(=NNC3=NC(=CS3)C4=CC=C(C=C4)Br)S2","KVZNQWABIWTQDF-ZDLGFXPLSA-N",135499369,NA,"PDBC05726","657457","Present",NA,NA
+"5727","(5Z)-3-(1,3-Benzothiazol-2-yl)-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(1,3-Benzothiazol-2-yl)-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CS3)C(=O)N2C4=NC5=CC=CC=C5S4","XAWICDXFJWTYBL-LGMDPLHJSA-N",5471790,NA,"PDBC05727","713707","Present",NA,NA
+"5728","(5Z)-3-(1,3-Benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(1,3-Benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4","YLPZPHIILRZBGO-UYRXBGFRSA-N",5471789,NA,"PDBC05728","713706","Present",NA,NA
+"5729","(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(2-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3O)C(=O)N2C4=NC5=CC=CC=C5S4","DYLJLIMKVLNIJW-JXAWBTAJSA-N",5471774,NA,"PDBC05729","713682","Present",NA,NA
+"5730","(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(2-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3[N+](=O)[O-])C(=O)N2C4=NC5=CC=CC=C5S4","LYGGGFCNCRTUEY-JXAWBTAJSA-N",5471788,NA,"PDBC05730","713705","Present",NA,NA
+"5731","(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(1,3-Benzothiazol-2-yl)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,"CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)O","ZBEWYWIUEYJRIR-RGEXLXHISA-N",5471775,NA,"PDBC05731","713683","Present",NA,NA
+"5732","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl","UOKWSWLSESHUQD-YVLHZVERSA-N",5471538,NA,"PDBC05732","711852","Present",NA,NA
+"5733","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl","YEGSJAYFWULONC-ZDLGFXPLSA-N",5471533,NA,"PDBC05733","711847","Present",NA,NA
+"5734","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,"COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5Cl)Cl)O","ZTHXONLHSQWQRH-MFOYZWKCSA-N",5471532,NA,"PDBC05734","711846","Present",NA,NA
+"5735","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",NA,"CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5Cl)Cl","IUWFADLHLKFTCE-ODLFYWEKSA-N",5471535,NA,"PDBC05735","711849","Present",NA,NA
+"5736","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C=CC(=O)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5Cl)Cl","LAOMXZAWSLSXGV-IVCLMZBLSA-N",5471529,NA,"PDBC05736","711843","Present",NA,NA
+"5737","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CCC3=CC=CO3)C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl","DDQUFOMFABQQPS-MFOYZWKCSA-N",5471534,NA,"PDBC05737","711848","Present",NA,NA
+"5738","(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,6-Dichloro-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(S4)C=C(C=C5Cl)Cl","UDTSWQOKFUZJFX-NDENLUEZSA-N",5471536,NA,"PDBC05738","711850","Present",NA,NA
+"5739","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,"COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC=CC=C4S)C3=O)C5=CC=CC=C5","DKGBEGYARDQXRR-VKAVYKQESA-N",5471518,NA,"PDBC05739","711832","Present",NA,NA
+"5740","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,"COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)C5=CC=CC=C5","KGKGMCQOIQUSDE-AQTBWJFISA-N",5471512,NA,"PDBC05740","711825","Present",NA,NA
+"5741","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,"COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)C5=CC=CC=C5","CZCUAZKCMKYIMO-JXAWBTAJSA-N",5471514,NA,"PDBC05741","711827","Present",NA,NA
+"5742","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,"COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC(=CC=C4)OC5=CC=CC=C5)C3=O)C6=CC=CC=C6","NMYFYHDPJLZFNW-CLCOLTQESA-N",5471517,NA,"PDBC05742","711831","Present",NA,NA
+"5743","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,"COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC(=C(C=C4)O)OC)C3=O)C5=CC=CC=C5","MOIZUZOHGFZSGR-LGMDPLHJSA-N",5471513,NA,"PDBC05743","711826","Present",NA,NA
+"5744","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",NA,"COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)SC)C3=O)C5=CC=CC=C5","MQHLQSLVPPXQHH-CYVLTUHYSA-N",5471516,NA,"PDBC05744","711829","Present",NA,NA
+"5745","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one",NA,"COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CCC4=CC=CO4)C3=O)C5=CC=CC=C5","YAYLWRSUKZPICH-BOPFTXTBSA-N",5471515,NA,"PDBC05745","711828","Present",NA,NA
+"5746","(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4,7-Dimethoxy-1,3-benzothiazol-2-yl)-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(C=CC(=C5S4)OC)OC","NGWMAPOKKPWLIJ-SILNSSARSA-N",1273997,NA,"PDBC05746","711830","Present",NA,NA
+"5747","(5Z)-3-(4-Bromophenyl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4-Bromophenyl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one",NA,"CC(=C1C(=O)N(C(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)Br)C4=CC5=CC=CC=C5OC4=O","AEBZTTXIXDKQIR-UCQKPKSFSA-N",3001637,NA,"PDBC05747","643736","Present",NA,NA
+"5748","(5Z)-3-(4-Chlorocyclohexa-1,3-dien-1-yl)-2-(2-chloro-5-nitro-phenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(4-Chlorocyclohexa-1,3-dien-1-yl)-2-(2-chloro-5-nitrophenyl)-5-[1-(2-oxochromen-3-yl)ethylidene]imidazol-4-one",NA,"CC(=C1C(=O)N(C(=N1)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(CC3)Cl)C4=CC5=CC=CC=C5OC4=O","MBDXRJNIATYDCP-UCQKPKSFSA-N",3004300,NA,"PDBC05748","643737","Present",NA,NA
+"5749","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,"CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC=CC=C4S)C3=O)C5=CC=CC=C5","MDFFNDPWTYNYSE-ZHZULCJRSA-N",5471548,NA,"PDBC05749","711862","Present",NA,NA
+"5750","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,"CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)C5=CC=CC=C5","IYLZZIJCIKEFCH-BKUYFWCQSA-N",5471541,NA,"PDBC05750","711855","Present",NA,NA
+"5751","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,"CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC(=C(C=C4)O)OC)C3=O)C5=CC=CC=C5","UEJIZWXALABPCL-MOSHPQCFSA-N",5471542,NA,"PDBC05751","711856","Present",NA,NA
+"5752","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,"CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)OC5=CC=CC=C5)C3=O)C6=CC=CC=C6","SBKISOUVLXLPQI-DIBXZPPDSA-N",5471547,NA,"PDBC05752","711861","Present",NA,NA
+"5753","(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one",NA,"CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CCC4=CC=CO4)C3=O)C5=CC=CC=C5","PTCJHEDPPKNFTQ-ODLFYWEKSA-N",5471544,NA,"PDBC05753","711858","Present",NA,NA
+"5754","(5Z)-3-(Dimethylamino)-5-[(4-nitrophenyl)methylene]thiazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(Dimethylamino)-5-[(4-nitrophenyl)methylene]thiazolidine-2,4-dione",NA,"CN(C)N1C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])SC1=O","KDMUDFDUCZHUEI-YFHOEESVSA-N",5468282,NA,"PDBC05754","667510","Present",NA,NA
+"5755","(5Z)-3-(Dimethylaminomethyl)-5-[1-(dimethylaminomethyl)-2-oxo-indolin-3-ylidene]thiazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Thiazolidinedione, 3-[(dimethylamino)methyl]-5-[1-[(...",NA,"CN(C)CN1C2=CC=CC=C2C(=C3C(=O)N(C(=O)S3)CN(C)C)C1=O","IHSVGUNOFKTLFA-YPKPFQOOSA-N",3000988,NA,"PDBC05755","363916","Present",NA,NA
+"5756","(5Z)-3-(Morpholinomethyl)-5-(p-tolylmethylene)-2-thioxo-imidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo-3-(morpholinomethyl)-5-[(Z)-4-methylbenzylidene]imidazolidine-4-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CN3CCOCC3","SXHPRVLCMCXSHD-UVTDQMKNSA-N",5469469,NA,"PDBC05756","688931","Present",NA,NA
+"5757","(5Z)-3-Chloro-4-(3-chloro-4-hydroxyphenyl)-5-(4-hydroxybenzylidene)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-chloro-4-(3'-chloro-4'-hydroxyphenyl)-5-(4",NA,"C1=CC(=CC=C1C=C2C(=C(C(=O)O2)Cl)C3=CC(=C(C=C3)O)Cl)O","ZELORUMEECNHKI-AUWJEWJLSA-N",5472906,NA,"PDBC05757","722458","Present",NA,NA
+"5758","(5Z)-3-Chloro-4-(3-chloro-4-methoxyphenyl)-5-(4-methoxybenzylidene)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-chloro-4-(3'-chloro-4'-methoxyphenyl)-5-(4",NA,"COC1=CC=C(C=C1)C=C2C(=C(C(=O)O2)Cl)C3=CC(=C(C=C3)OC)Cl","WERPYDCIODMERE-SXGWCWSVSA-N",5472909,NA,"PDBC05758","722461","Present",NA,NA
+"5759","(5Z)-3-Chloro-4-(4-methoxyphenyl)-5-(4-methoxybenzylidene)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-chloro-4-(4'-methoxyphenyl)-5-(4",NA,"COC1=CC=C(C=C1)C=C2C(=C(C(=O)O2)Cl)C3=CC=C(C=C3)OC","VJTMJQGMNZNPAM-WJDWOHSUSA-N",5472905,NA,"PDBC05759","722457","Present",NA,NA
+"5760","(5Z)-3-Cyclopropyl-5-[(2,3-dichlorophenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-Cyclopropyl-5-[(2,3-dichlorophenyl)methylidene]-2-phenylimidazol-4-one",NA,"C1CC1N2C(=NC(=CC3=C(C(=CC=C3)Cl)Cl)C2=O)C4=CC=CC=C4","XUZBHQLRTBZCGF-WJDWOHSUSA-N",24204095,NA,"PDBC05760","730581","Present",NA,NA
+"5761","(5Z)-3-Prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-Prop-2-enyl-2-prop-2-enylsulfanyl-5-(thiophen-2-ylmethylidene)imidazol-4-one",NA,"C=CCN1C(=O)C(=CC2=CC=CS2)N=C1SCC=C","UULLAUGEEZHUHY-BENRWUELSA-N",5470559,NA,"PDBC05761","703026","Present",NA,NA
+"5762","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,"CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC=CC=C4S)C3=O)C5=CC=CC=C5","NNWGRVIPRWMCEO-KWOCPRBISA-N",9572334,NA,"PDBC05762","711902","Present",NA,NA
+"5763","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,"CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)C5=CC=CC=C5","ISMBCJDXOJRTNO-LNHBEJPFSA-N",9572327,NA,"PDBC05763","711895","Present",NA,NA
+"5764","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,"CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)C5=CC=CC=C5","CLVKDVCKGHENDD-JHTRWWIWSA-N",9572329,NA,"PDBC05764","711897","Present",NA,NA
+"5765","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,"CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC(=C(C=C4)O)OC)C3=O)C5=CC=CC=C5","IFILOAHPDOQLHJ-IJYZDDJUSA-N",9572328,NA,"PDBC05765","711896","Present",NA,NA
+"5766","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",NA,"CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC=C(C=C4)SC)C3=O)C5=CC=CC=C5","DXDXBBOEXDPNRT-KBOXTYINSA-N",9572331,NA,"PDBC05766","711899","Present",NA,NA
+"5767","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one",NA,"CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CCC4=CC=CO4)C3=O)C5=CC=CC=C5","XQWLDCZERNDJGU-HLVUAULZSA-N",9572330,NA,"PDBC05767","711898","Present",NA,NA
+"5768","(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[(E)-(2-Chloro-6-methylquinolin-3-yl)methylideneamino]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one",NA,"CC1=CC2=CC(=C(N=C2C=C1)Cl)C=NN3C(=NC(=CC4=CC=C(C=C4)N(C)C)C3=O)C5=CC=CC=C5","WWRITSFANDFVDD-SGHMZTNKSA-N",9572332,NA,"PDBC05768","711900","Present",NA,NA
+"5769","(5Z)-3-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-5-[(2-ethoxyphenyl)methylene]imidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-5-(2-ethoxybenzylidene)-2,4-imidazolidinedione",NA,"CCOC1=CC=CC=C1C=C2C(=O)N(C(=O)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","HXCFWRDKNVJZBL-IDLVQZBLSA-N",6477387,NA,"PDBC05769","657434","Present",NA,NA
+"5770","(5Z)-3-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxy-phenyl)methylene]imidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[(Z)-(2,4-Dioxochromen-3-ylidene)methyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]imidazolidine-2,4-dione",NA,"COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)N2)C=C3C(=O)C4=CC=CC=C4OC3=O)O","BYBRECSTMAPGQU-RRSUZHDMSA-N",5467661,NA,"PDBC05770","657602","Present",NA,NA
+"5771","(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-(thiophen-2-ylmethylidene)imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CS3)C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=CS8)C7=O)C9=CC=CC=C9","HOIOHMBUYXWZTJ-HJTNQMAYSA-N",5471794,NA,"PDBC05771","713711","Present",NA,NA
+"5772","(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imid",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC(=C(C(=C8)OC)OC)OC)C7=O)C9=CC=CC=C9","MYPBBVUPFHFLIX-KUUUIRGPSA-N",5471793,NA,"PDBC05772","713710","Present",NA,NA
+"5773","(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[2-[(4Z)-5-Oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-5-[(E)-3-phenylprop-2-enylidene]imidazol-4-one",NA,"C1=CC=C(C=C1)C=CC=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC=CC8=CC=CC=C8)C7=O)C9=CC=CC=C9","UIPPEAHCSMVVNC-PMQQTWLNSA-N",5471778,NA,"PDBC05773","713687","Present",NA,NA
+"5774","(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N2C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC(=CC=C7)[N+](=O)[O-])C6=O)C8=CC=CC=C8","UIXFFDXDKNMGMH-AHIPKILKSA-N",5471572,NA,"PDBC05774","711887","Present",NA,NA
+"5775","(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,"COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC(=C(C=C7)O)OC)C6=O)C8=CC=CC=C8)O","JQPJBLDKRBOTQJ-UKJDBFPPSA-N",5471571,NA,"PDBC05775","711886","Present",NA,NA
+"5776","(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",NA,"CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC=C(C=C7)SC)C6=O)C8=CC=CC=C8","UMRRTVAWQOCNPX-KYXNYYCHSA-N",5471574,NA,"PDBC05776","711889","Present",NA,NA
+"5777","(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[2-(furan-2-yl)ethylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[2-(furan-2-yl)ethylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[2-(furan-2-yl)ethylidene]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CCC3=CC=CO3)C(=O)N2C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CCC7=CC=CO7)C6=O)C8=CC=CC=C8","NYHDILPSNXCOQM-RXCNPGAZSA-N",5471573,NA,"PDBC05777","711888","Present",NA,NA
+"5778","(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[4-Benzoyl-2-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-5-[[4-(dimethylamino)phenyl]methylidene]-2-phenylimidazol-4-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC=C(C=C7)N(C)C)C6=O)C8=CC=CC=C8","AOCFQRXMYDTEMK-BAUNQOMESA-N",5471575,NA,"PDBC05778","711890","Present",NA,NA
+"5779","(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC=CC=C7S)C6=O)C8=CC=CC=C8","UDTSIKWASHCMMQ-APKAYSKISA-N",5471576,NA,"PDBC05779","711892","Present",NA,NA
+"5780","(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]phenyl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)N6C(=NC(=CC7=CC(=C(C(=C7)OC)OC)OC)C6=O)C8=CC=CC=C8","LFOHZZXDRVDFKR-TUPMYYBFSA-N",5471570,NA,"PDBC05780","711885","Present",NA,NA
+"5781","(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[4-Benzoyl-2-[(4Z)-5-oxo-4-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]phenyl]-5-[(3-phenoxyphenyl)methylidene]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N2C5=C(C=C(C=C5)C(=O)C6=CC=CC=C6)N7C(=NC(=CC8=CC(=CC=C8)OC9=CC=CC=C9)C7=O)C1=CC=CC=C1","ZJAAHUZPFZQHEW-OPJUKZJOSA-N",16129940,NA,"PDBC05781","711891","Present",NA,NA
+"5782","(5Z)-3-[7-[(4Z)-5-Oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[7-[(4Z)-5-Oxo-2-phenyl-4-[(2-sulfanylphenyl)methylidene]imidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3S)C(=O)N2C4=CC5=C(C=C4)NC6=C(S5)C=C(C=C6)N7C(=NC(=CC8=CC=CC=C8S)C7=O)C9=CC=CC=C9","QDQKEABSXVHDEW-RXCNPGAZSA-N",5471567,NA,"PDBC05782","711882","Present",NA,NA
+"5783","(5Z)-3-[7-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[7-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenyl-5-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)NC6=C(S5)C=C(C=C6)N7C(=NC(=CC8=CC(=C(C(=C8)OC)OC)OC)C7=O)C9=CC=CC=C9","VHFXEPFLEAAFGO-HLQQZESDSA-N",5471561,NA,"PDBC05783","711875","Present",NA,NA
+"5784","(5Z)-3-[7-[(4Z)-5-Oxo-4-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-[7-[(4Z)-5-Oxo-4-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-5-[(E)-2-oxo-4-phenylbut-3-enylidene]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C=CC(=O)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)NC6=C(S5)C=C(C=C6)N7C(=NC(=CC(=O)C=CC8=CC=CC=C8)C7=O)C9=CC=CC=C9","YZFFJLBBLZEHDM-WIXYHAJXSA-N",5471559,NA,"PDBC05784","711873","Present",NA,NA
+"5785","(5Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione",NA,"CC1=CC(=C(C=C1)C)N2C(=O)C(=NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","JPZHGAYRICRIRF-KQWNVCNZSA-N",6165207,NA,"PDBC05785","635424","Present",NA,NA
+"5786","(5Z)-4-(1,3-Benzothiazol-2-yl)-5-(1,4-dihydroxyphthalazin-5-yl)imino-1-(2,5-dimethylphenyl)piperidine-2,3,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)imino]piperidine-2,3,6-trione",NA,"CC1=CC(=C(C=C1)C)N2C(=O)C(=NC3=CC=CC4=C3C(=O)NNC4=O)C(C(=O)C2=O)C5=NC6=CC=CC=C6S5","YCNXHSFIIYQBPS-UHFFFAOYSA-N",360996,NA,"PDBC05786","623728","Present",NA,NA
+"5787","(5Z)-4-(1,3-Benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5-hydrazinylidene-piperidine-2,3,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-4-(1,3-Benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5-hydrazinylidene-piperidine-2,3,6-trione",NA,"C1=CC=C2C(=C1)N=C(O2)C3C(=NN)C(=O)N(C(=O)C3=O)C4=C(C=C(C=C4)Cl)Cl","MCQVCSPRKTXCTO-UCQKPKSFSA-N",6013204,NA,"PDBC05787","623732","Present",NA,NA
+"5788","(5Z)-4-(1,3-Benzoxazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-4-(1,3-Benzoxazol-2-yl)-1-(2,5-dimethylphenyl)-5-hydrazinylidene-piperidine-2,3,6-trione",NA,"CC1=CC(=C(C=C1)C)N2C(=O)C(=NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","NSDVLMSARMOEIT-KQWNVCNZSA-N",5932979,NA,"PDBC05788","623049","Present",NA,NA
+"5789","(5Z)-4-Chloro-2-ethylsulfanyl-5-(2-furylmethylene)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-4-Chloro-2-ethylsulfanyl-5-(2-furylmethylene)imidazole",NA,"CCSC1=NC(=CC2=CC=CO2)C(=N1)Cl","HALVAOBVGRUDBD-VURMDHGXSA-N",5469626,NA,"PDBC05789","690962","Present",NA,NA
+"5790","(5Z)-4-Methoxy-5-(methoxymethylidene)furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-4-Methoxy-5-(methoxymethylidene)furan-2-one",NA,"COC=C1C(=CC(=O)O1)OC","LHAPRBUQPZAPFV-XQRVVYSFSA-N",5387000,NA,"PDBC05790","619532","Present",NA,NA
+"5791","(5Z)-5-(1H-Indol-3-ylmethylidene)-2-methylsulfanyl-1H-imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-(1H-Indol-3-ylmethylidene)-2-methylsulfanyl-1H-imidazol-4-one",NA,"CSC1=NC(=C(N1)C=C2C=NC3=CC=CC=C32)O","JHFSQZFFXWWVQM-SOFGYWHQSA-N",135401432,NA,"PDBC05791","709996","Present",NA,NA
+"5792","(5Z)-5-(2-Furylmethylene)-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-(2-Furylmethylene)-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one",NA,"CSC1=NC(=CC2=CC=CO2)C(=O)N1CN3CCCCC3","SZELRWDLPYBUNP-RAXLEYEMSA-N",5469490,NA,"PDBC05792","688953","Present",NA,NA
+"5793","(5Z)-5-(2-Furylmethylene)-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-(2-Furylmethylene)-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one",NA,"CSC1=NC(=CC2=CC=CO2)C(=O)N1CN3CCOCC3","HOXAPWRDAVNUKJ-XFXZXTDPSA-N",5469484,NA,"PDBC05793","688947","Present",NA,NA
+"5794","(5Z)-5-(Ethoxymethylidene)-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-(Ethoxymethylidene)-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one",NA,"CCOC=C1C(=O)N(C(=S)S1)C2=CC=C(C=C2)OCC","KIKPSPFZIGHDIM-XFXZXTDPSA-N",5383324,NA,"PDBC05794","164985","Present",NA,NA
+"5795","(5Z)-5-(Furan-2-ylmethylidene)-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-(Furan-2-ylmethylidene)-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CO3)C(=O)N2C4=CC5=C(N4)C=CC(=C5)SC6=CC=CC=C6","BGAAASLCWGIBDS-BWAHOGKJSA-N",5472058,NA,"PDBC05795","716163","Present",NA,NA
+"5796","(5Z)-5-(Furan-2-ylmethylidene)-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-(Furan-2-ylmethylidene)-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,"CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=NC(=CC4=CC=CO4)C3=O)C5=CC=CC=C5","HMLRKMRSHSEODW-JWGURIENSA-N",5472065,NA,"PDBC05796","716170","Present",NA,NA
+"5797","(5Z)-5-(Furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-(Furan-2-ylmethylidene)-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one",NA,"C=CCN1C(=O)C(=CC2=CC=CO2)N=C1SCC=C","WWEURECFVGGPJR-BENRWUELSA-N",5470560,NA,"PDBC05797","703027","Present",NA,NA
+"5798","(5Z)-5-Benzylidene-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-Benzylidene-2-[(E)-but-2-enyl]sulfanyl-3-prop-2-enylimidazol-4-one",NA,"CC=CCSC1=NC(=CC2=CC=CC=C2)C(=O)N1CC=C","LNGXYUISTHXZBI-LROUIXOYSA-N",5470561,NA,"PDBC05798","703028","Present",NA,NA
+"5799","(5Z)-5-Benzylidene-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-Benzylidene-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one",NA,"CSC1=NC(=CC2=CC=CC=C2)C(=O)N1CN3CCCCC3","HRDURGODWZWLNC-QINSGFPZSA-N",5469485,NA,"PDBC05799","688948","Present",NA,NA
+"5800","(5Z)-5-Benzylidene-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-Benzylidene-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one",NA,"CSC1=NC(=CC2=CC=CC=C2)C(=O)N1CN3CCOCC3","CUFSJHFIXYPSCY-KAMYIIQDSA-N",5469479,NA,"PDBC05800","688942","Present",NA,NA
+"5801","(5Z)-5-Benzylidene-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-Benzylidene-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,"CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=NC(=CC4=CC=CC=C4)C3=O)C5=CC=CC=C5","ALTSAPVIDQNIQK-JLPGSUDCSA-N",5472064,NA,"PDBC05801","716169","Present",NA,NA
+"5802","(5Z)-5-Benzylidene-2-phenyl-oxazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-Benzylidene-2-phenyl-oxazol-4-one",NA,"C1=CC=C(C=C1)C=C2C(=O)N=C(O2)C3=CC=CC=C3","VZOZDTBBGBQEOS-KAMYIIQDSA-N",5936967,NA,"PDBC05802","700134","Present",NA,NA
+"5803","(5Z)-5-Benzylidene-3-[2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-Benzylidene-3-[2-[(4Z)-4-benzylidene-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=CC=C8)C7=O)C9=CC=CC=C9","OYXZFLVYRRWLGZ-RYJWMXFHSA-N",5471777,NA,"PDBC05803","713686","Present",NA,NA
+"5804","(5Z)-5-Benzylidene-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-Benzylidene-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one",NA,"C=CCN1C(=O)C(=CC2=CC=CC=C2)N=C1SCC=C","IOZMNZPEMHHXBG-OWBHPGMISA-N",5470555,NA,"PDBC05804","703022","Present",NA,NA
+"5805","(5Z)-5-Benzylidene-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-Benzylidene-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one",NA,"C=CCN1C(=O)C(=CC2=CC=CC=C2)NC1=S","CYABOUGGYACUAF-LUAWRHEFSA-N",5470553,NA,"PDBC05805","703019","Present",NA,NA
+"5806","(5Z)-5-[(2,4-Dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one;hydrofluoride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(2,4-Dichlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one;hydrofluoride",NA,"C1=CC=C(C=C1)C2=NC(=CC3=C(C=C(C=C3)Cl)Cl)C(=O)N2CC4=CC=CO4.F","DLJCJOUXRQBNFU-XHFAFUTOSA-N",24205160,NA,"PDBC05806","734479","Present",NA,NA
+"5807","(5Z)-5-[(2-Chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(2-Chlorophenyl)methylidene]-3-(furan-2-ylmethyl)-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3Cl)C(=O)N2CC4=CC=CO4","FTSYJADOLAAZHP-UYRXBGFRSA-N",24204861,NA,"PDBC05807","733164","Present",NA,NA
+"5808","(5Z)-5-[(2-Hydroxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(2-Hydroxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione",NA,"C1=CC=C2C(=C1)C=CC(=O)C2=CC3=C(NC(=O)N3)O","NQOHIKXQSXBTLV-YFHOEESVSA-N",135458242,NA,"PDBC05808","659434","Present",NA,NA
+"5809","(5Z)-5-[(2-Hydroxyphenyl)methylidene]-3-[2-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(2-Hydroxyphenyl)methylidene]-3-[2-[(4Z)-4-[(2-hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3O)C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=CC=C8O)C7=O)C9=CC=CC=C9","DWUBDRNBZWSPEQ-NAZWXXJZSA-N",5471779,NA,"PDBC05809","713688","Present",NA,NA
+"5810","(5Z)-5-[(2-Nitrophenyl)methylidene]-3-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(2-Nitrophenyl)methylidene]-3-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3[N+](=O)[O-])C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=CC=C8[N+](=O)[O-])C7=O)C9=CC=CC=C9","BTKSFMWAXFHVPU-NAZWXXJZSA-N",5471792,NA,"PDBC05810","713709","Present",NA,NA
+"5811","(5Z)-5-[(2E)-2-(5-Ethyl-1-methylpyridin-2(1H)-ylidene)ethylidene]-8-oxo-5,8-dihydroquinolin-1-ium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium, 5-ethyl-2-[2-(8-hydroxy-5-quinolyl)vinyl]-1-...",NA,"CCC1=C[N+](=C(C=C1)C=CC2=C3C=CC=NC3=C(C=C2)O)C.[I-]","SCVZLKUUPUQUSM-UHFFFAOYSA-N",135534376,NA,"PDBC05811","79543","Present",NA,NA
+"5812","(5Z)-5-[(3-Nitrophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(3-Nitrophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N2C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","AKOKPFRPVNDJHL-ONUIUJJFSA-N",5471553,NA,"PDBC05812","711867","Present",NA,NA
+"5813","(5Z)-5-[(3-Nitrophenyl)methylidene]-3-[7-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(3-Nitrophenyl)methylidene]-3-[7-[(4Z)-4-[(3-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)[N+](=O)[O-])C(=O)N2C4=CC5=C(C=C4)NC6=C(S5)C=C(C=C6)N7C(=NC(=CC8=CC(=CC=C8)[N+](=O)[O-])C7=O)C9=CC=CC=C9","IMFOPANVTCEBKO-PXDBBHOGSA-N",5471563,NA,"PDBC05813","711877","Present",NA,NA
+"5814","(5Z)-5-[(3-Phenoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(3-Phenoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C(=O)N2C5=NC6=C(N5)C=C(C=C6)SC7=CC=CC=C7","BOJMXVPKBXNPOW-JDCMOKTRSA-N",5471557,NA,"PDBC05814","711871","Present",NA,NA
+"5815","(5Z)-5-[(4-Chlorophenyl)methylene]-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylthio)-3-(piperidinomethyl)-5-[(Z)-4-chlorobenzylidene]-1-imidazoline-4-one",NA,"CSC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CN3CCCCC3","UPWQATIBVPWQPW-PTNGSMBKSA-N",5469488,NA,"PDBC05815","688951","Present",NA,NA
+"5816","(5Z)-5-[(4-Chlorophenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one",NA,"CSC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1CN3CCOCC3","ABLPJJNIYNCJSN-UVTDQMKNSA-N",5469482,NA,"PDBC05816","688945","Present",NA,NA
+"5817","(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-(2-thiophen-2-ylethyl)imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2CCC4=CC=CS4","PDWAKOYCRCTLSK-HKWRFOASSA-N",60147820,NA,"PDBC05817","752476","Present",NA,NA
+"5818","(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","KXHVXWGIDSNHET-ONUIUJJFSA-N",5471550,NA,"PDBC05818","711864","Present",NA,NA
+"5819","(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylidene]-2-phenyl-3-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]imidazol-4-one",NA,"CC1=CC(=NN2C(=NC(=CC3=CC=C(C=C3)Cl)C2=O)C4=CC=CC=C4)CC(C1)(C)C","XFMOPPBNAYZPDB-VGXUKZGPSA-N",9572336,NA,"PDBC05819","711904","Present",NA,NA
+"5820","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(4,6-dichloro-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4=NC5=C(S4)C=C(C=C5Cl)Cl","YMXPXRJMDAJEOH-ZDLGFXPLSA-N",5471530,NA,"PDBC05820","711844","Present",NA,NA
+"5821","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one",NA,"COC1=C2C(=C(C=C1)OC)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)Cl)C3=O)C5=CC=CC=C5","FCPQIUXPDCDQLS-JXAWBTAJSA-N",5471511,NA,"PDBC05821","711824","Present",NA,NA
+"5822","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one",NA,"CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)Cl)C3=O)C5=CC=CC=C5","SGUYHQOXXUAGBS-STZFKDTASA-N",5471540,NA,"PDBC05822","711854","Present",NA,NA
+"5823","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-[(E)-(2-hydroxyphenyl)methylideneamino]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2N=CC4=CC=CC=C4O","HMRHLLQLZROROM-KLINPMNRSA-N",135436278,NA,"PDBC05823","717234","Present",NA,NA
+"5824","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-[2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-[2-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=C(C=C8)Cl)C7=O)C9=CC=CC=C9","GSKNHZBUYZKLAX-CDSIFPFTSA-N",5471781,NA,"PDBC05824","713690","Present",NA,NA
+"5825","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one",NA,"C=CCN1C(=O)C(=CC2=CC=C(C=C2)Cl)N=C1SCC=C","UOBAHPXCGXIHJZ-KAMYIIQDSA-N",5470558,NA,"PDBC05825","703025","Present",NA,NA
+"5826","(5Z)-5-[(4-Chlorophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Chlorophenyl)methylidene]-3-prop-2-enylimidazolidine-2,4-dione",NA,"C=CCN1C(=O)C(=CC2=CC=C(C=C2)Cl)NC1=O","JLCCMZKFLXRBAS-FLIBITNWSA-N",5470749,NA,"PDBC05826","704864","Present",NA,NA
+"5827","(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-phenylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,"COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(N4)C=CC(=C5)SC6=CC=CC=C6)O","HOUXLYIVSIWMPG-QQXSKIMKSA-N",5472059,NA,"PDBC05827","716164","Present",NA,NA
+"5828","(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,"CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=NC(=CC4=CC(=C(C=C4)O)OC)C3=O)C5=CC=CC=C5","RSKSGANXKWNKJD-UCQKPKSFSA-N",5472066,NA,"PDBC05828","716171","Present",NA,NA
+"5829","(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Hydroxy-3-methoxyphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,"COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6)O","VTONFJQVTRIKAX-XYGWBWBKSA-N",5471552,NA,"PDBC05829","711866","Present",NA,NA
+"5830","(5Z)-5-[(4-Methoxyphenyl)methylene]-2-methylsulfanyl-3-(1-piperidylmethyl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylthio)-3-(piperidinomethyl)-5-[(Z)-4-methoxybenzylidene]-1-imidazoline-4-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)CN3CCCCC3","IVIFDIXHPZKVHL-VBKFSLOCSA-N",5469486,NA,"PDBC05830","688949","Present",NA,NA
+"5831","(5Z)-5-[(4-Methoxyphenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Methoxyphenyl)methylene]-2-methylsulfanyl-3-(morpholinomethyl)imidazol-4-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC)CN3CCOCC3","POKZSDLAWNUOKU-PTNGSMBKSA-N",5469480,NA,"PDBC05831","688943","Present",NA,NA
+"5832","(5Z)-5-[(4-Methoxyphenyl)methylidene]-3-[2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Methoxyphenyl)methylidene]-3-[2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2,3,6,7-tetrahydro-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenylimidazol-4-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4NC5=CC6=C(C=C5S4)NC(S6)N7C(=NC(=CC8=CC=C(C=C8)OC)C7=O)C9=CC=CC=C9","HTXWIGVRWSJKBO-YWQXDYITSA-N",5471791,NA,"PDBC05832","713708","Present",NA,NA
+"5833","(5Z)-5-[(4-Methoxyphenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Methoxyphenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC=C)CC=C","KGLXHOGLAZYLIM-QINSGFPZSA-N",5470556,NA,"PDBC05833","703023","Present",NA,NA
+"5834","(5Z)-5-[(4-Methylphenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Methylphenyl)methylidene]-3-prop-2-enyl-2-prop-2-enylsulfanylimidazol-4-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SCC=C)CC=C","DMTBXNBZCUSVBV-QINSGFPZSA-N",5470557,NA,"PDBC05834","703024","Present",NA,NA
+"5835","(5Z)-5-[(4-Methylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Methylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CC=C","USPSMPUYCKVZEB-XFXZXTDPSA-N",5470554,NA,"PDBC05835","703021","Present",NA,NA
+"5836","(5Z)-5-[(4-Methylsulfanylphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Methylsulfanylphenyl)methylidene]-2-phenyl-3-(5-propylsulfanyl-1H-indol-2-yl)imidazol-4-one",NA,"CCCSC1=CC2=C(C=C1)NC(=C2)N3C(=NC(=CC4=CC=C(C=C4)SC)C3=O)C5=CC=CC=C5","AYCSBUBFBOIHHL-XYGWBWBKSA-N",5472067,NA,"PDBC05836","716172","Present",NA,NA
+"5837","(5Z)-5-[(4-Methylsulfanylphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(4-Methylsulfanylphenyl)methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,"CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","UZTIAUKJFOAWEH-IMRQLAEWSA-N",5471555,NA,"PDBC05837","711869","Present",NA,NA
+"5838","(5Z)-5-[(E)-2-Oxo-4-phenylbut-3-enylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[(E)-2-Oxo-4-phenylbut-3-enylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,"C1=CC=C(C=C1)C=CC(=O)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","ZXVHHNINDOVVRT-OODLUPFYSA-N",5471549,NA,"PDBC05838","711863","Present",NA,NA
+"5839","(5Z)-5-[2-(2,5-Dichloro-4-nitrophenyl)hydrazinylidene]-4-methyl-1,3-thiazol-2(5H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[2-(2,5-Dichloro-4-nitrophenyl)hydrazinylidene]-4-methyl-1,3-thiazol-2(5H)-imine",NA,"CC1=C(SC(=N1)N)N=NC2=CC(=C(C=C2Cl)[N+](=O)[O-])Cl","BEOGUAZIXAMUJG-UHFFFAOYSA-N",283262,NA,"PDBC05839","137635","Present",NA,NA
+"5840","(5Z)-5-[2-(4-Chlorophenyl)sulfanyl-2-(2,4-dichlorophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[2-(4-Chlorophenyl)sulfanyl-2-(2,4-dichlorophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-amine",NA,"CC1=NNC(=NC1=CC(C2=C(C=C(C=C2)Cl)Cl)SC3=CC=C(C=C3)Cl)N","PPBGFNXOTZJJBY-SXGWCWSVSA-N",6036179,NA,"PDBC05840","698026","Present",NA,NA
+"5841","(5Z)-5-[2-(4-Chlorophenyl)sulfanyl-2-(4-nitrophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[2-(4-Chlorophenyl)sulfanyl-2-(4-nitrophenyl)ethylidene]-6-methyl-2H-1,2,4-triazin-3-imine",NA,"CC1=NNC(=NC1=CC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl)N","LMKDVVNSHRBBNH-YBEGLDIGSA-N",6478023,NA,"PDBC05841","698024","Present",NA,NA
+"5842","(5Z)-5-[2-(Furan-2-yl)ethylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[2-(Furan-2-yl)ethylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,"C1=CC=C(C=C1)C2=NC(=CCC3=CC=CO3)C(=O)N2C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","FFVWHYZGHHGCCU-IWIPYMOSSA-N",5471554,NA,"PDBC05842","711868","Present",NA,NA
+"5843","(5Z)-5-[Chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[Chloro-[1-(4-methoxyphenyl)tetrazol-5-yl]methylene]-1-isopropyl-4-(4-methoxyphenyl)tetrazole",NA,"CC(C)N1C(=C(C2=NN=NN2C3=CC=C(C=C3)OC)Cl)N(N=N1)C4=CC=C(C=C4)OC","BSPCLSGSSQFXPW-ZZEZOPTASA-N",3004937,NA,"PDBC05843","664408","Present",NA,NA
+"5844","(5Z)-5-[[4-(Diethylamino)phenyl]methylidene]-3-[4-(ethoxymethylamino)phenyl]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[[4-(Diethylamino)phenyl]methylidene]-3-[4-(ethoxymethylamino)phenyl]-2-phenylimidazol-4-one",NA,"CCN(CC)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)NCOCC","KNVYLVORIHDNJZ-OOAXWGSJSA-N",24205751,NA,"PDBC05844","736567","Present",NA,NA
+"5845","(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-2-phenyl-3-(6-phenylsulfanyl-1H-benzimidazol-2-yl)imidazol-4-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=C(N4)C=C(C=C5)SC6=CC=CC=C6","IGJYSCJSFJXHQM-USHMODERSA-N",5471556,NA,"PDBC05845","711870","Present",NA,NA
+"5846","(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-3-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-phenylimidazol-4-one",NA,"CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)N(C)C)C3=O)C5=CC=CC=C5","WWBRZORRLLDPIU-KQWNVCNZSA-N",5471546,NA,"PDBC05846","711860","Present",NA,NA
+"5847","(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-3-[7-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[[4-(Dimethylamino)phenyl]methylidene]-3-[7-[(4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]-10H-phenothiazin-3-yl]-2-phenylimidazol-4-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC5=C(C=C4)NC6=C(S5)C=C(C=C6)N7C(=NC(=CC8=CC=C(C=C8)N(C)C)C7=O)C9=CC=CC=C9","KKQDOLKSQWBUAD-HEPSPIFKSA-N",5471566,NA,"PDBC05847","711880","Present",NA,NA
+"5848","(5Z)-5-[[4-[(2R)-4-Aminobutan-2-yl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-5-[[4-[(2R)-4-Aminobutan-2-yl]-3,5-dimethyl-1H-pyrrol-2-yl]methylidene]-4-ethyl-3-methylpyrrol-2-one",NA,"CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)C)C(C)CCN)C)C","LSCRFBMSUXHYTH-MQHRVFIMSA-N",54611460,NA,"PDBC05848","704376","Present",NA,NA
+"5849","(5Z)-8-Oxo-5-[(2Z)-2-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)ethylidene]-5,8-dihydroquinolin-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-2-(1,3,3-Trimethylindol-1-ium-2-yl)ethenyl]quinolin-8-ol",NA,"CC1(C2=CC=CC=C2[N+](=C1C=CC3=C4C=CC=NC4=C(C=C3)O)C)C","BDAKSAPSXVGUJW-UHFFFAOYSA-O",135534378,NA,"PDBC05849","79544","Present",NA,NA
+"5850","(5Z)-N-(3-Chlorophenyl)-2-cyanoimino-5-(3-methyl-1,4-benzothiazin-2-ylidene)pyrimidin-1-ium-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-N-(3-Chlorophenyl)-2-cyanoimino-5-(3-methyl-1,4-benzothiazin-2-ylidene)pyrimidin-1-ium-4-carboxamide",NA,"CC1=NC2=CC=CC=C2SC1=C3C=[NH+]C(=NC#N)N=C3C(=O)NC4=CC(=CC=C4)Cl","DCXHUDQMBQJHDA-NEVNILGMSA-O",135510100,NA,"PDBC05850","631997","Present",NA,NA
+"5851","(5Z,10Z,14Z,19Z)-7-(4-Chlorophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z,10Z,14Z,19Z)-7-(4-Chlorophenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin",NA,"C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C(=C4)C9=CC=C(C=C9)Cl)C1=CC=CC=C1)N3","DDTHJDCZDHQJIJ-UHFFFAOYSA-N",135441818,NA,"PDBC05851","675262","Present",NA,NA
+"5852","(5Z,10Z,14Z,19Z)-7-(4-Methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z,10Z,14Z,19Z)-7-(4-Methoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin",NA,"COC1=CC=C(C=C1)C2=CC3=NC2=C(C4=CC=C(N4)C(=C5C=CC(=N5)C(=C6C=CC(=C3C7=CC=CC=C7)N6)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","WYVYHKKJFQHISQ-UHFFFAOYSA-N",135413910,NA,"PDBC05852","675261","Present",NA,NA
+"5853","(5Z,13E)-8-(4-Chlorophenyl)-5,13-bis[(4-chlorophenyl)methylidene]-11-ethyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z,13E)-8-(4-Chlorophenyl)-5,13-bis[(4-chlorophenyl)methylidene]-11-ethyl-4-thia-2,7,11-triazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-6-one",NA,"CCN1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(N4C(=O)C(=CC5=CC=C(C=C5)Cl)SC4=N3)C6=CC=C(C=C6)Cl","GYGZRRGYBJLWRY-ZPSQPZCQSA-N",5470869,NA,"PDBC05853","706013","Present",NA,NA
+"5854","(5Z,7S,8E,13R,14E)-13-[Tert-butyl(dimethyl)silyl]oxy-16-[(2-methylpropan-2-yl)oxy]-10,16-dioxo-7-[(9-phenylfluoren-9-yl)amino]hexadeca-5,8,14-trienoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z,7S,8E,13R,14E)-13-[Tert-butyl(dimethyl)silyl]oxy-16-[(2-methylpropan-2-yl)oxy]-10,16-dioxo-7-[(9-phenylfluoren-9-yl)amino]hexadeca-5,8,14-trienoic acid",NA,"CC(C)(C)OC(=O)C=CC(CCC(=O)C=CC(C=CCCCC(=O)O)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4)O[Si](C)(C)C(C)(C)C","KXOUCTIRZSGNMU-RFQHURMFSA-N",5471923,NA,"PDBC05854","715434","Present",NA,NA
+"5855","(5alpha)-3beta-[4,4-Di(5'-chloro-4'-hydroxy-3'-n-butoxy carbonyl)phenyl-1-buten-3-yl]cholestane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5.alpha.)-3.beta.-[4,4-Di(5'-chloro-4'-hydroxy-3'-n-but...",NA,"CCCCOC(=O)C1=C(C(=CC(=C1)C(=CCCC2CCC3(C(C2)CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)C)C6=CC(=C(C(=C6)Cl)O)C(=O)OCCCC)Cl)O","CYHTWWFBKGOIME-GHGUNXIXSA-N",388788,NA,"PDBC05855","683874","Present",NA,NA
+"5856","(5alpha)-3beta-[4,4-Di(5'-chloro-4'-hydroxy-3'-n-propoxycarbonyl)phenyl-1-buten-3-yl]cholestane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5.alpha.)-3.beta.-[4,4-Di(5'-chloro-4'-hydroxy-3'-n-pro...",NA,"CCCOC(=O)C1=C(C(=CC(=C1)C(=CCCC2CCC3(C(C2)CCC4C3CCC5(C4CCC5C(C)CCCC(C)C)C)C)C6=CC(=C(C(=C6)Cl)O)C(=O)OCCC)Cl)O","XDEVYXRPMNENDL-SCCGAENTSA-N",388789,NA,"PDBC05856","683875","Present",NA,NA
+"5857","(6'-Acetyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6'-Acetyl-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) acetate",NA,"CC(=O)C1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)C)C5=CC=CC=C5C(=O)O3","PONNIYGIVODRMG-UHFFFAOYSA-N",398082,NA,"PDBC05857","707447","Present",NA,NA
+"5858","(6,7-Dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dichloro-1,4-di-N-oxide-3-methylquinoxalin-2-yl-4-(4...",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]","AKXBIEDIZHYCPN-UHFFFAOYSA-N",404493,NA,"PDBC05858","720729","Present",NA,NA
+"5859","(6,7-Dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-phenyl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6,7-Dichloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-phenyl-methanone",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)C3=CC=CC=C3","CGXSVXICYBGCHV-UHFFFAOYSA-N",404284,NA,"PDBC05859","720465","Present",NA,NA
+"5860","(6,7-Dimethoxy-2-naphthyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6,7-Dimethoxy-2-naphthyl)acetic acid",NA,"COC1=C(C=C2C=C(C=CC2=C1)CC(=O)O)OC","OSKZYKATAHBWQX-UHFFFAOYSA-N",362311,NA,"PDBC05860","625947","Present",NA,NA
+"5861","(6,7-Dimethoxy-2-naphthyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6,7-Dimethoxy-2-naphthyl)acetonitrile",NA,"COC1=C(C=C2C=C(C=CC2=C1)CC#N)OC","BEFXAEJYFVNMQB-UHFFFAOYSA-N",362551,NA,"PDBC05861","626626","Present",NA,NA
+"5862","(6,8-Dichloro-2-(trifluoromethyl)-4-quinolinyl)(2-piperidinyl)methanol methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6,8-dichloro-2-(trifluoromethyl)quinolin-4-yl)-(piperid...",NA,"CS(=O)(=O)O.C1CCNC(C1)C(C2=CC(=NC3=C2C=C(C=C3Cl)Cl)C(F)(F)F)O","BKVZXESTLGCNPZ-UHFFFAOYSA-N",331342,NA,"PDBC05862","322661","Present",NA,NA
+"5863","(6-(6-Mercapto-9H-purin-9-yl)tetrahydro-2H-pyran-2-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-(6-Mercapto-9H-purin-9-yl)tetrahydro-2H-pyran-2-yl)methanol",NA,"C1CC(OC(C1)N2C=NC3=C2NC=NC3=S)CO","FLWMUHPQPQKPMV-UHFFFAOYSA-N",4581572,NA,"PDBC05863","43409","Present",NA,NA
+"5864","(6-(Aminomethyl)-6-(4-morpholinyl)bicyclo[3.1.0]hex-1-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-(Aminomethyl)-6-(4-morpholinyl)bicyclo[3.1.0]hex-1-yl)methanol",NA,"C1CC2C(C1)(C2(CN)N3CCOCC3)CO","FPINOPAJUVXPQB-UHFFFAOYSA-N",366370,NA,"PDBC05864","634746","Present",NA,NA
+"5865","(6-Acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) 2-methoxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) 2-methoxyacetate",NA,"CC1=C(C(=N)C2=C(C1=O)N3CCC(C3=N2)OC(=O)COC)NC(=O)C","MZSXUQCYYVQQAT-UHFFFAOYSA-N",377193,NA,"PDBC05865","658420","Present",NA,NA
+"5866","(6-Acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Acetamido-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate",NA,"CCC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=N)NC(=O)C)C","QPNHPZIAZYHYSS-UHFFFAOYSA-N",374653,NA,"PDBC05866","652729","Present",NA,NA
+"5867","(6-Acetamido-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetamido-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benz-i...",NA,"CC1=CC2=C(C=C1NC(=O)C)N=C3N2CCC3OC(=O)C","XJIYXDYOCFOWKR-UHFFFAOYSA-N",389493,NA,"PDBC05867","685716","Present",NA,NA
+"5868","(6-Acetamido-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrolo[1,2-a}benzimidazole-5,8-dione, 6-(acetylamino...",NA,"CCC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=O)NC(=O)C)C","IICCKIWFUIOTEJ-UHFFFAOYSA-N",374008,NA,"PDBC05868","651082","Present",NA,NA
+"5869","(6-Acetamido-7-methyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetamido-7-methyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-...",NA,"CC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N=C3N2CCC3OC(=O)C","QWSDMCYOYUSIHQ-UHFFFAOYSA-N",389494,NA,"PDBC05869","685717","Present",NA,NA
+"5870","(6-Acetonyl-2-formyl-5-methoxy-9,10-dioxo-1-anthryl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid,[2-formyl-9,10-dihydro-5-methoxy-9,10- dioxo...",NA,"CC(=O)CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3OC(=O)C)C=O)OC","CRSVJZFTVSRTRS-UHFFFAOYSA-N",363425,NA,"PDBC05870","628336","Present",NA,NA
+"5871","(6-Acetoxy-5,7,12,14-tetraacetyl-quinoxalino[2,3-b]phenazin-13-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Acetoxy-5,7,12,14-tetraacetyl-quinoxalino[2,3-b]phenazin-13-yl) acetate",NA,"CC(=O)N1C2=CC=CC=C2N(C3=C1C(=C4C(=C3OC(=O)C)N(C5=CC=CC=C5N4C(=O)C)C(=O)C)OC(=O)C)C(=O)C","BLKQWSCKWOPBKU-UHFFFAOYSA-N",371696,NA,"PDBC05871","646146","Present",NA,NA
+"5872","(6-Allyloxy-3,4,5-tribenzyloxy-tetrahydropyran-2-yl)methoxy-tert-butyl-dimethyl-silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyl 2,3,4-tri-O-benzyl-6-O-(tert-butyldimethylsilyl)- ...",NA,"CC(C)(C)[Si](C)(C)OCC1C(C(C(C(O1)OCC=C)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","BDKQSXIIYZQXSP-UHFFFAOYSA-N",361712,NA,"PDBC05872","624953","Present",NA,NA
+"5873","(6-Bromo-1,3-benzodioxol-5-yl)(4-morpholinyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Bromo-1,3-benzodioxol-5-yl)(4-morpholinyl)acetonitrile",NA,"C1COCCN1C(C#N)C2=CC3=C(C=C2Br)OCO3","ODPNTXXHNRHJJY-UHFFFAOYSA-N",383755,NA,"PDBC05873","672197","Present",NA,NA
+"5874","(6-Bromo-4-oxo-3-phenylquinazolin-2-yl)methyl 2-hydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Bromo-4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)methyl 2-hydroxybenzoate",NA,"C1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)COC(=O)C4=CC=CC=C4O","VBYAWEPFQPSXSF-UHFFFAOYSA-N",369101,NA,"PDBC05874","640658","Present",NA,NA
+"5875","(6-Chloro-2-phenylquinolin-4-yl)piperidin-2-ylmethanol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinolinemethanol, 6-chloro-2-phenyl-.alpha.-2-piperid...",NA,"C1CCNC(C1)C(C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4)O.Cl","CKGGDBDEBXRPCE-UHFFFAOYSA-N",24181991,NA,"PDBC05875","13097","Present",NA,NA
+"5876","(6-Chloro-3-(4-methyl-1-piperidinyl)-4-pyridazinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Chloro-3-(4-methyl-1-piperidinyl)-4-pyridazinyl)(phenyl)methanone",NA,"CC1CCN(CC1)C2=NN=C(C=C2C(=O)C3=CC=CC=C3)Cl","FLXHAYHAESRZCS-UHFFFAOYSA-N",386986,NA,"PDBC05876","680297","Present",NA,NA
+"5877","(6-Chloro-3-(dibromomethyl)-2-quinolinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, [3-(dibromomethyl)-6-chloroquinolin-2-yl] phe...",NA,"C1=CC=C(C=C1)C(=O)C2=C(C=C3C=C(C=CC3=N2)Cl)C(Br)Br","LBZVXXFIWDUKTA-UHFFFAOYSA-N",370203,NA,"PDBC05877","642947","Present",NA,NA
+"5878","(6-Chloro-3-hydroxy-4-phenyl-3lambda(5)-quinazolin-2-yl)methyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Chloro-3-hydroxy-4-phenyl-3lambda(5)-quinazolin-2-yl)methyl thiocyanate",NA,"C1=CC=C(C=C1)C2=[N+](C(=NC3=C2C=C(C=C3)Cl)CSC#N)[O-]","YROBDNZTTZNXLP-UHFFFAOYSA-N",494208,NA,"PDBC05878","286151","Present",NA,NA
+"5879","(6-Chloro-3-methyl-2-quinolinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Chloro-3-methyl-2-quinolinyl)(phenyl)methanone",NA,"CC1=CC2=C(C=CC(=C2)Cl)N=C1C(=O)C3=CC=CC=C3","RPHQNGCQCNXMFW-UHFFFAOYSA-N",370202,NA,"PDBC05879","642946","Present",NA,NA
+"5880","(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone",NA,"COC1=CC(=C2CCCC3=C(OC1=C23)C(=O)C4=CC=CC=C4)Cl","LUSUOFLYFYBVPL-UHFFFAOYSA-N",361579,NA,"PDBC05880","624760","Present",NA,NA
+"5881","(6-Hydroxy-1-methylsulfonyl-indolin-3-yl)methyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Hydroxy-1-methylsulfonyl-indolin-3-yl)methyl methanesulfonate",NA,"CS(=O)(=O)N1CC(C2=C1C=C(C=C2)O)COS(=O)(=O)C","MGSFQEKQIZNGMP-UHFFFAOYSA-N",384839,NA,"PDBC05881","675357","Present",NA,NA
+"5882","(6-Hydroxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Hydroxy-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone",NA,"C1COCCN1CCN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=C4C=CC(=C5)O","SKGUHEIQVWXDGI-UHFFFAOYSA-N",399886,NA,"PDBC05882","711024","Present",NA,NA
+"5883","(6-Imino-3-methyl-4-phenyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl)-(4-pyridyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-4-pheny...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)C4=CC=NC=C4","AZKCMFSDGDJYPP-UHFFFAOYSA-N",376860,NA,"PDBC05883","657979","Present",NA,NA
+"5884","(6-Methoxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Methoxy-2,2,4-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl) acetate",NA,"CC1C2C(C(C(O1)OC)OC(=O)C)OC(O2)(C)C","ALFFQEBTXGGWQA-UHFFFAOYSA-N",359629,NA,"PDBC05884","620688","Present",NA,NA
+"5885","(6-Methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl-[(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]-oxoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl-[(6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]-oxoazanium",NA,"CC1(OC2C(C(OC2O1)CN[N+](=O)CC3C(C4C(O3)OC(O4)(C)C)OC)OC)C","FULYKTGZLFGGEL-UHFFFAOYSA-N",6330749,NA,"PDBC05885","618264","Present",NA,NA
+"5886","(6-Methoxy-3-methyl-2-quinolinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Methoxy-3-methylquinolin-2-yl)(phenyl)methanone",NA,"CC1=CC2=C(C=CC(=C2)OC)N=C1C(=O)C3=CC=CC=C3","RITZNXFYIQMRQO-UHFFFAOYSA-N",370209,NA,"PDBC05886","642953","Present",NA,NA
+"5887","(6-Methoxydioxan-3-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Methoxydioxan-3-yl)methanol",NA,"COC1CCC(OO1)CO","UJEPSCABKOAZNW-UHFFFAOYSA-N",375966,NA,"PDBC05887","656320","Present",NA,NA
+"5888","(6-Methoxynaphthalen-1-yl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Methoxy-1-naphthyl)-[1-(2-morpholinoethyl)indol-3-yl]methanone",NA,"COC1=CC2=C(C=C1)C(=CC=C2)C(=O)C3=CN(C4=CC=CC=C43)CCN5CCOCC5","KNKHSPBINPDPHI-UHFFFAOYSA-N",399884,NA,"PDBC05888","711022","Present",NA,NA
+"5889","(6-Methoxynaphthalen-1-yl)-[2-methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Methoxy-1-naphthyl)-[2-methyl-1-(2-morpholinoethyl)indol-3-yl]methanone",NA,"CC1=C(C2=CC=CC=C2N1CCN3CCOCC3)C(=O)C4=CC=CC5=C4C=CC(=C5)OC","BKVFJBPECQOFHC-UHFFFAOYSA-N",399885,NA,"PDBC05889","711023","Present",NA,NA
+"5890","(6-Methyl-1,3-benzodioxol-5-yl)-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzophenone, 3,4,5-trimethoxy-2'-methyl-4',5'-methylene...",NA,"CC1=CC2=C(C=C1C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OCO2","BEUWRYNNEKNVFK-UHFFFAOYSA-N",345759,NA,"PDBC05890","403529","Present",NA,NA
+"5891","(6Ar)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline;2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Ar)-7,9-dimethyl-4-pentyl-6,6a,8,10a-tetrahydroindolo[4,3-fg]quinoline;2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid",NA,"CCCCCN1C=C2CC3C(C=C(CN3C)C)C4=C2C1=CC=C4.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O","QYINIADJZVQSAQ-MLVYHOMMSA-N",353191,NA,"PDBC05891","600681","Present",NA,NA
+"5892","(6Ar,11aR,11bS)-4,4,6a,7,11b-Pentamethyl-2,3,4,4a,5,6,6a,11,11a,11b-decahydro-1H-benzo[a]fluoren-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo[a]fluorene-9-ol, 2,3,4,4a,5,6,6a,11,11a,11b-dec...",NA,"CC1=CC(=CC2=C1C3(CCC4C(CCCC4(C3C2)C)(C)C)C)O","ZAZRBTKHYPRONZ-BHKBWCNASA-N",23725939,NA,"PDBC05892","743822","Present",NA,NA
+"5893","(6As)-2,3,8-Trimethoxy-9-(methylsulfonyloxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indeno[1,2-c]isoquinoline-5,11-dione, 6-methyl- 5-(methy...",NA,"CN1C2C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC(=C(C=C24)OC)OS(=O)(=O)C","GPIZRQJCJKRCLG-RTBURBONSA-N",341886,NA,"PDBC05893","376254","Present",NA,NA
+"5894","(6As)-2,3-Dimethoxy-8,9-(methylenedioxy)-6-methyl-6,6abeta-dihydro-5H-indeno[1,2-c]isoquinoline-5,11(11abetaH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinoline- 5,12(6H)-...",NA,"CN1C2C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C24)OCO5","XMGPGUJCNJAHRG-QZTJIDSGSA-N",335395,NA,"PDBC05894","344505","Present",NA,NA
+"5895","(6As)-2-methoxy-3-[3-(2-pyridin-2-ylbenzimidazol-1-yl)propoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-7-methoxy-8-3-[2-(2-pyridyl)-1H-benzo[d]imidazol-...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4C5=CC=CC=C5N=C4C6=CC=CC=N6","XGTYKVWCKNWATB-IBGZPJMESA-N",44227106,NA,"PDBC05895","744017","Present",NA,NA
+"5896","(6As)-2-methoxy-3-[3-(4-phenanthren-9-ylphenoxy)propoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-7-methoxy-8-3-[4-(9-phenanthryl)phenoxy]propoxy-2...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCOC4=CC=C(C=C4)C5=CC6=CC=CC=C6C7=CC=CC=C75","VKFFLPNHOJIKMR-SANMLTNESA-N",44203964,NA,"PDBC05896","744026","Present",NA,NA
+"5897","(6As)-2-methoxy-3-[4-(2-thiophen-2-ylbenzimidazol-1-yl)butoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-7-methoxy-8-4-[2-(2-thienyl)-1H-benzo[d]imidazol-...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4C5=CC=CC=C5N=C4C6=CC=CS6","MQADZBPHRACIML-IBGZPJMESA-N",44226901,NA,"PDBC05897","744016","Present",NA,NA
+"5898","(6As)-2-methoxy-3-[5-[4-(2-methyl-4-oxoquinazolin-3-yl)phenoxy]pentoxy]-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-7-methoxy-8-6-[4-(2-methyl-4-oxo-3,4-dihydro-3-qu...",NA,"CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OCCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","GPDRVHRWVHPAOX-DEOSSOPVSA-N",45028796,NA,"PDBC05898","744332","Present",NA,NA
+"5899","(6As)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As)-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dithione",NA,"COC1=C(C=C2C(=C1)C(=S)N3CCCC3C(=S)N2)OCC4=CC=CC=C4","ZZPCWQQZSSIIHK-INIZCTEOSA-N",5470549,NA,"PDBC05899","703013","Present",NA,NA
+"5900","(6As)-3-[2-[4-[2-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]ethyl]piperazin-1-yl]ethoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-8-[2-(4-{2-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-t...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCN4CCN(CC4)CCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC","QHWCTOMQZWBPJU-ZEQRLZLVSA-N",405945,NA,"PDBC05900","723733","Present",NA,NA
+"5901","(6As)-3-[3-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]oxypropoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-{3-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyloxyl]prop...",NA,"CC1=NC(=CC(=N1)OCCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C5=CC=C(C=C5)F","LFEWRLNEOAGMCF-FQEVSTJZSA-N",406086,NA,"PDBC05901","724004","Present",NA,NA
+"5902","(6As)-3-[3-[[(6aS)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-8-{3-[7-methoxy (11aS)-1,2,3,10,11,11a-hexahyd...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3CN2)OCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","BAPOMQVULWAKDQ-OALUTQOASA-N",406087,NA,"PDBC05902","724005","Present",NA,NA
+"5903","(6As)-3-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As)-3-[3-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)OCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","VKDJCDSWBKPZPK-JTSKRJEESA-N",403687,NA,"PDBC05903","718811","Present",NA,NA
+"5904","(6As)-3-[4-(4-chloro-6-methoxy-2-methylquinazolin-7-yl)oxybutoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[4-(4-chloro-6-methyl-7-quinazolinyloxy)butoxy]7-metho...",NA,"CC1=NC2=CC(=C(C=C2C(=N1)Cl)OC)OCCCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC","KCOCPXADFPOADF-KRWDZBQOSA-N",406092,NA,"PDBC05904","724010","Present",NA,NA
+"5905","(6As)-3-[4-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-8-4-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]b...",NA,"COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","HLLYDTKPUVTXKU-NRFANRHFSA-N",45028354,NA,"PDBC05905","742294","Present",NA,NA
+"5906","(6As)-3-[4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-8-4-[4-(1,3-benzothiazol-2-yl)phenoxy]butoxy-7-me...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5","HIEUCCMEZNTHRS-NRFANRHFSA-N",45028353,NA,"PDBC05906","742293","Present",NA,NA
+"5907","(6As)-3-[4-[4-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butyl]piperazin-1-yl]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-8-[4-(4-{4-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-t...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4CCN(CC4)CCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC","JBBSKQLFCJZMSB-NSOVKSMOSA-N",405946,NA,"PDBC05907","723734","Present",NA,NA
+"5908","(6As)-3-[4-[6-(4-fluorophenyl)-2-methylpyrimidin-4-yl]oxybutoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-{4-[6-(4-flurophenyl)-2-methyl-4-pyrimidinyloxy]butoxy...",NA,"CC1=NC(=CC(=N1)OCCCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C5=CC=C(C=C5)F","QNDFMXVSROYBJF-NRFANRHFSA-N",405944,NA,"PDBC05908","723732","Present",NA,NA
+"5909","(6As)-3-[4-[[(6aS)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-8-{4-[7-methoxy-(11aS)-1,2,3,10,11,11a-hexahyd...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3CN2)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","VCGUOFPHHADNOU-PMACEKPBSA-N",10415114,NA,"PDBC05909","726528","Present",NA,NA
+"5910","(6As)-3-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As)-3-[4-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","AZDJLTGMHTXPDJ-MBSDFSHPSA-N",403688,NA,"PDBC05910","718812","Present",NA,NA
+"5911","(6As)-3-[5-[2-(furan-2-yl)benzimidazol-1-yl]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aR)-7-methoxy-8-(5-[2-( -1H-2-furyl)-1H-benzo[d]imida...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4C5=CC=CC=C5N=C4C6=CC=CO6","CXTGGRMXBGAYHF-FQEVSTJZSA-N",25008105,NA,"PDBC05911","744022","Present",NA,NA
+"5912","(6As)-3-[5-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-8-(5-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]...",NA,"COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)OCCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","IHGYHLCXETVDTK-QFIPXVFZSA-N",24881122,NA,"PDBC05912","742296","Present",NA,NA
+"5913","(6As)-3-[5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11aS)-8-(5-[4-(1,3-benzothiazol-2-yl)phenoxy]pentyloxy)...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5","BCGRYDWRKASEES-QFIPXVFZSA-N",45028355,NA,"PDBC05913","742295","Present",NA,NA
+"5914","(6As)-3-[5-[[(6aS)-2-methoxy-11-oxo-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-8-{5-[7-methoxy-(11aS)-1,2,3,10,11,11a-hexahyd...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3CN2)OCCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","RWZMDZPJEOYCMB-SFTDATJTSA-N",406088,NA,"PDBC05914","724006","Present",NA,NA
+"5915","(6As)-3-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As)-3-[5-[[(6aS)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]pentoxy]-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)OCCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","RBMDXEFPCHVSOR-CYFREDJKSA-N",403689,NA,"PDBC05915","718813","Present",NA,NA
+"5916","(6As)-3-hydroxy-2-methoxy-6-sulfanylidene-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As)-3-hydroxy-2-methoxy-6-sulfanylidene-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=S)N2)O","OTMDPUVXYIAQRY-VIFPVBQESA-N",5470548,NA,"PDBC05916","703009","Present",NA,NA
+"5917","(6As)-4-methyl-6-sulfanylidene-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As)-4-methyl-6-sulfanylidene-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,"CC1=C2C(=CC=C1)C(=O)N3CCCC3C(=S)N2","VCCTWBYAFGXJEE-JTQLQIEISA-N",5470550,NA,"PDBC05917","703014","Present",NA,NA
+"5918","(6As,12bS)-6a,8-dimethyl-9-(methylamino)-5,7,8,12b-tetrahydrobenzo[k]phenanthridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As,12bS)-6a,8-dimethyl-9-(methylamino)-6a,7,8,12b-tetrahydrobenzo[k]phenanthridin-6(5H)-one",NA,"CC1CC2(C(C3=C1C(=CC=C3)NC)C4=CC=CC=C4NC2=O)C","XJXYOQUPLJHBMY-CAVRMKNVSA-N",379692,NA,"PDBC05918","664567","Present",NA,NA
+"5919","(6As,13aS)-6a,8,13-trimethyl-N-propyl-5,7,8,13a-tetrahydroquinolino[4,3-b][1]benzazepin-6-imine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As,13aS)-6a,8,13-trimethyl-N-propyl-5,7,8,13a-tetrahydroquinolino[4,3-b][1]benzazepin-6-imine;hydrochloride",NA,"CCCN=C1C2(CC(C3=CC=CC=C3N(C2C4=CC=CC=C4N1)C)C)C.Cl","ULQJIQVMOHVNJI-DWODVSLYSA-N",135509164,NA,"PDBC05919","664568","Present",NA,NA
+"5920","(6As,13aS)-6a,8-dimethyl-7,8,13,13a-tetrahydro-5H-quinolino[4,3-b][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As,13aS)-6a,8-dimethyl-5,6a,7,8,13,13a-hexahydro-6H-quino[4,3-b][1]benzazepin-6-one",NA,"CC1CC2(C(C3=CC=CC=C3NC2=O)NC4=CC=CC=C14)C","BVVBQIPPMQZRLK-AYCODJOZSA-N",379697,NA,"PDBC05920","664570","Present",NA,NA
+"5921","(6As,13aS)-6a,8-dimethyl-7,8,13,13a-tetrahydro-5H-quinolino[4,3-b][1]benzazepine-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As,13aS)-6a,8-dimethyl-7,8,13,13a-tetrahydro-5H-quinolino[4,3-b][1]benzazepine-6-thione",NA,"CC1CC2(C(C3=CC=CC=C3NC2=S)NC4=CC=CC=C14)C","GIOXOKCOEIYGEN-AYCODJOZSA-N",5468128,NA,"PDBC05921","664571","Present",NA,NA
+"5922","(6As,8R)-3,8-dihydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As,8R)-3,8-dihydroxy-2-methoxy-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C(=O)N2)O)O","HDTAXVHSWJJNJJ-MUWHJKNJSA-N",396541,NA,"PDBC05922","703011","Present",NA,NA
+"5923","(6As,8R)-6-hydroxy-8-(methoxymethoxy)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6As,8R)-6-hydroxy-8-(methoxymethoxy)-5,6,6a,7,8,9-hexahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,"COCOC1CC2C(NC3=CC=CC=C3C(=O)N2C1)O","RSHHAARCKBZSMZ-QDIMTWPYSA-N",396778,NA,"PDBC05923","703557","Present",NA,NA
+"5924","(6Br)-6-[3-(Trifluoromethyl)phenyl]-6balpha-pyrrolizino-6b,7,8,9,10,10aalpha-hexahydrobenzo[3,4]cyclobuta[1,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11R,16S)-11-Pyrrolidin-1-yl-9-[3-(trifluoromethyl)phenyl]-8-azatetracyclo[8.6.0.02,7.011,16]hexadeca-1(10),2,4,6,8-pentaene",NA,"C1CCC2(C(C1)C3=C2C(=NC4=CC=CC=C43)C5=CC(=CC=C5)C(F)(F)F)N6CCCC6","FWVXULDERGEZOZ-NBGIEHNGSA-N",403530,NA,"PDBC05924","718546","Present",NA,NA
+"5925","(6E)-10,11-Dihydroxy-6,10-dimethyl-3-methylidene-3a,4,8,9,11,11a-hexahydro-1H-cyclopenta[10]annulene-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-10,11-Dihydroxy-6,10-dimethyl-3-methylidene-3a,4,8,9,11,11a-hexahydro-1H-cyclopenta[10]annulene-2,5-dione",NA,"CC1=CCCC(C(C2CC(=O)C(=C)C2CC1=O)O)(C)O","WMEUFJZUIJWGOO-WEVVVXLNSA-N",5470595,NA,"PDBC05925","703216","Present",NA,NA
+"5926","(6E)-10-Hydroxy-6,10-dimethyl-3-methylidene-1,3a,4,8,9,11a-hexahydrocyclopenta[10]annulene-2,5,11-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-10-Hydroxy-6,10-dimethyl-3-methylidene-1,3a,4,8,9,11a-hexahydrocyclopenta[10]annulene-2,5,11-trione",NA,"CC1=CCCC(C(=O)C2CC(=O)C(=C)C2CC1=O)(C)O","NGDGGQBNWUIJEF-WEVVVXLNSA-N",5470594,NA,"PDBC05926","703215","Present",NA,NA
+"5927","(6E)-2-[2,3-Dihydro-1,4-benzodioxin-6-yl-(hydroxyamino)methyl]-6-(2,3-dihydro-1,4-benzodioxin-6-ylmethylene)cyclohexanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2,3-Dihydro-1,4-benzodioxin-6-yl-[(2Z,3E)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-2-hydroxyiminocyclohexyl]methyl]hydroxylamine",NA,"C1CC(C(=NO)C(=CC2=CC3=C(C=C2)OCCO3)C1)C(C4=CC5=C(C=C4)OCCO5)NO","ZADFIWXFBWJWOZ-ORRIPVBESA-N",5928846,NA,"PDBC05927","636681","Present",NA,NA
+"5928","(6E)-5-Methyl-2-phenyl-5H-1,3,6,2-benzodioxazaboronin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-5-Methyl-2-phenyl-5H-1,3,6,2-benzodioxazaboronin-4-one",NA,NA,NA,NA,NA,"PDBC05928","678504","Present",NA,NA
+"5929","(6E)-6-(m-Tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-6-(m-Tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,"CC1=CC(=CC=C1)C=C2CCCC3=CC=CC=C3C2=O","XZPQTNCICNGJBL-GHRIWEEISA-N",5469391,NA,"PDBC05929","687670","Present",NA,NA
+"5930","(6E)-6-(p-Tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-6-(p-Tolylmethylene)-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,"CC1=CC=C(C=C1)C=C2CCCC3=CC=CC=C3C2=O","LDCMXYLIKNLZEF-GHRIWEEISA-N",1241474,NA,"PDBC05930","687669","Present",NA,NA
+"5931","(6E)-6-Amino-5,8-dihydro-4H-trithiocine-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-6-Amino-5,8-dihydro-4H-trithiocine-7-carbonitrile",NA,"C1CSSSCC(=C1N)C#N","VNJZVMWQQGJJIH-AATRIKPKSA-N",3004378,NA,"PDBC05931","649092","Present",NA,NA
+"5932","(6E)-6-Benzylidene-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-6-Benzylidene-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,"C1CC2=CC=CC=C2C(=O)C(=CC3=CC=CC=C3)C1","HXWPCHWOKIESFJ-DTQAZKPQSA-N",1550522,NA,"PDBC05932","687666","Present",NA,NA
+"5933","(6E)-6-Hydrazinylidene-1,3-diazinane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC118396",NA,"C1C(=NN)NC(=O)NC1=O","QGIANYJQIJBTRC-UHFFFAOYSA-N",135454086,NA,"PDBC05933","118396","Present",NA,NA
+"5934","(6E)-6-[(3-Nitrophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-6-[(3-Nitrophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,"C1CC2=CC=CC=C2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C1","XIKJYPDRSJEWLC-RVDMUPIBSA-N",5469396,NA,"PDBC05934","687675","Present",NA,NA
+"5935","(6E)-6-[(4-Chlorophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-6-[(4-Chlorophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,"C1CC2=CC=CC=C2C(=O)C(=CC3=CC=C(C=C3)Cl)C1","HBWKTUXEDYGARY-NTCAYCPXSA-N",5469392,NA,"PDBC05935","687671","Present",NA,NA
+"5936","(6E)-6-[(4-Nitrophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-6-[(4-Nitrophenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,"C1CC2=CC=CC=C2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C1","CVMBKCXVNKLREA-NTCAYCPXSA-N",5469395,NA,"PDBC05936","687674","Present",NA,NA
+"5937","(6E)-6-[(5Z)-5-(6-Oxocyclohexa-2,4-dien-1-ylidene)-1,2,4-triazolidin-3-ylidene]cyclohexa-2,4-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2,2'-[1H-1,2,4-triazole-3,5-diyl]bis-",NA,"C1=CC=C(C(=C1)C2=NC(=NN2)C3=CC=CC=C3O)O","HIZVPOSTRMNMOK-UHFFFAOYSA-N",389407,NA,"PDBC05937","685478","Present",NA,NA
+"5938","(6E)-6-[(8-Chloroquinolin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-6-[(8-Chloroquinolin-4-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one",NA,"C1CN2CC(=O)C1CC2=CC3=C4C=CC=C(C4=NC=C3)Cl","HREIQFLOPSXSOD-MDWZMJQESA-N",6509056,NA,"PDBC05938","132868","Present",NA,NA
+"5939","(6E)-6-[[4-Hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-6-[[4-Hydroxy-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-2-yl]hydrazinylidene]hexane-1,2,3,4,5-pentol",NA,"C1=CC=C2C(=C1)C(=CC3=C(N=C(N3)NN=CC(C(C(C(CO)O)O)O)O)O)C=N2","JUXINMJFZLZPTC-FZYLNTISSA-N",135505208,NA,"PDBC05939","704861","Present",NA,NA
+"5940","(6E,12R)-1,3-Dimethoxy-12-methyl-5,8,9,10,11,12-hexahydro-14H-13-oxabenzocyclododecen-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E,12R)-1,3-Dimethoxy-12-methyl-5,8,9,10,11,12-hexahydro-14H-13-oxabenzocyclododecen-14-one",NA,"CC1CCCCC=CCC2=C(C(=CC(=C2)OC)OC)C(=O)O1","NKDRVIFCOLYUPV-STMXVASLSA-N",5470232,NA,"PDBC05940","698945","Present",NA,NA
+"5941","(6R,11Z,13S)-6-Hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6R,11Z,13S)-6-Hydroxy-2-methyl-13-tri(propan-2-yl)silyloxypentadeca-2,11-dien-8-one",NA,"CCC(C=CCCC(=O)CC(CCC=C(C)C)O)O[Si](C(C)C)(C(C)C)C(C)C","FKLWVAQESZRPSK-BJWZYDGJSA-N",5471931,NA,"PDBC05941","715460","Present",NA,NA
+"5942","(6R,6As,12aR)-12a-hydroxy-2,3,9-trimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6R,6As,12aR)-12a-hydroxy-2,3,9-trimethoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6,6a-dihydrochromeno[3,4-b]chromen-12-one",NA,"COC1=CC2=C(C=C1)C(=O)C3(C(O2)C(OC4=CC(=C(C=C43)OC)OC)OC5C(C(C(C(O5)CO)O)O)O)O","GQYHMYYXQXEGFY-QFEXWSCGSA-N",397341,NA,"PDBC05942","704944","Present",NA,NA
+"5943","(6S)-1-Azaspiro[5.5]undecane-2,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626481",NA,"C1CC(=O)CC2(C1)CCCC(=O)N2","RUMOWHVGPDSMMS-JTQLQIEISA-N",362485,NA,"PDBC05943","626481","Present",NA,NA
+"5944","(6S)-4,5-Diphenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6S)-4,5-Diphenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene",NA,"C1CC2C(N(N=C2C3=CC=CC=C3C1)C4=CC=CC=C4)C5=CC=CC=C5","CNSHCLQFYNQATF-LETIRJCYSA-N",374674,NA,"PDBC05944","652808","Present",NA,NA
+"5945","(6S)-4-(Benzenesulfonyl)-5-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6S)-4-(Benzenesulfonyl)-5-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2,10,12-tetraene",NA,"C1CC2C(N(N=C2C3=CC=CC=C3C1)S(=O)(=O)C4=CC=CC=C4)C5=CC=CC=C5","QDRBGPVPJMBSFD-LETIRJCYSA-N",374677,NA,"PDBC05945","652811","Present",NA,NA
+"5946","(6S,14S)-9,14-Dimethyl-5-methylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-ene-4,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxireno[2,3]azuleno[4,5-b]furan-2,7-dione, 2,3,3a,4,5,7,...",NA,"CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C4(C(C2=O)O4)C","IQFFYNSHANWLIR-AJXLHQICSA-N",6712213,NA,"PDBC05946","659937","Present",NA,NA
+"5947","(6S,9E,13E)-8-(Benzenesulfonyl)-15-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethyl-1-trimethylsilylpentadeca-9,13-dien-1-yne-5,6-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6S,9E,13E)-8-(Benzenesulfonyl)-15-[tert-butyl(dimethyl)silyl]oxy-6,10-dimethyl-1-trimethylsilylpentadeca-9,13-dien-1-yne-5,6-diol",NA,"CC(=CC(CC(C)(C(CCC#C[Si](C)(C)C)O)O)S(=O)(=O)C1=CC=CC=C1)CCC=CCO[Si](C)(C)C(C)(C)C","WCUZPHRTMOZVOF-LJLNBTKQSA-N",5387052,NA,"PDBC05947","619986","Present",NA,NA
+"5948","(6Z)-1-Acetyl-6-[(4-chlorophenyl)methylene]-2H-imidazo[1,2-a]imidazole-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-1-Acetyl-6-[(4-chlorophenyl)methylene]-2H-imidazo[1,2-a]imidazole-3,5-dione",NA,"CC(=O)N1CC(=O)N2C1=NC(=CC3=CC=C(C=C3)Cl)C2=O","XJIKSGZTDTXLLR-WDZFZDKYSA-N",5469296,NA,"PDBC05948","685412","Present",NA,NA
+"5949","(6Z)-1-Benzyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-1-Benzyl-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione",NA,"CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2)CC4=CC=CC=C4)OC","NTTOFKKRFBUAGI-MYYYXRDXSA-N",5387225,NA,"PDBC05949","622067","Present",NA,NA
+"5950","(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-ol",NA,"C1C#CC=CC(C#CCS1)O","GKHKXMZLELCPJA-DJWKRKHSSA-N",5468277,NA,"PDBC05950","667276","Present",NA,NA
+"5951","(6Z)-1-[(4-Methoxyphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-1-[(4-Methoxyphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-6-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione",NA,"CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2)CC4=CC=C(C=C4)OC)OC","MHRYIBXTWPBOMT-YSMPRRRNSA-N",5387226,NA,"PDBC05951","622068","Present",NA,NA
+"5952","(6Z)-2,2-Dimethyl-3,4-dihydro-6-(4-methylphenylimino)-2H-naphtho[1,2-b]pyran-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methylphenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one",NA,"CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C4=C(C2=O)CCC(O4)(C)C","LOLQUHPYGGOUDO-UHFFFAOYSA-N",396837,NA,"PDBC05952","703855","Present",NA,NA
+"5953","(6Z)-2,2-Dimethyl-3,4-dihydro-6-(4-nitrophenylimino)-2H-naphtho[1,2-b]pyran-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Nitrophenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one",NA,"CC1(CCC2=C(O1)C3=CC=CC=C3C(=NC4=CC=C(C=C4)[N+](=O)[O-])C2=O)C","HBTNQWSZSVKENK-UHFFFAOYSA-N",396839,NA,"PDBC05953","703857","Present",NA,NA
+"5954","(6Z)-3-(2-Furyl)-6-[(2-nitrophenyl)methylene]thiazolo[2,3-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-3-(2-Furyl)-6-[(2-nitrophenyl)methylene]thiazolo[2,3-c][1,2,4]triazol-5-one",NA,"C1=CC=C(C(=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CC=CO4)[N+](=O)[O-]","NPLIICNZFUOSIV-WQLSENKSSA-N",6477127,NA,"PDBC05954","637636","Present",NA,NA
+"5955","(6Z)-3-(3-Nitrophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-5-one;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolo[2,3-b]thiazolium, 2,3-dihydro- 2-[(4-nitropheny...",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])S3.[Cl-]","VLOBDNMAHLKTOI-SQIOZQJDSA-M",5351414,NA,"PDBC05955","657598","Present",NA,NA
+"5956","(6Z)-3-Amino-1-benzyl-6-(2-furylmethylene)imidazo[1,2-a]imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-3-Amino-1-benzyl-6-(2-furylmethylene)imidazo[1,2-a]imidazol-5-one",NA,"C1=CC=C(C=C1)CN2C=C(N3C2=NC(=CC4=CC=CO4)C3=O)N","WFEULCXHACBZTL-ZROIWOOFSA-N",5918308,NA,"PDBC05956","686432","Present",NA,NA
+"5957","(6Z)-3-Amino-1-benzyl-6-[(4-methoxyphenyl)methylene]imidazo[1,2-a]imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-3-Amino-1-benzyl-6-[(4-methoxyphenyl)methylene]imidazo[1,2-a]imidazol-5-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C(=CN(C3=N2)CC4=CC=CC=C4)N","FPQWKYGXKXAEBA-BOPFTXTBSA-N",5918307,NA,"PDBC05957","686431","Present",NA,NA
+"5958","(6Z)-3-Amino-1-benzyl-6-benzylidene-imidazo[1,2-a]imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-3-Amino-1-benzyl-6-benzylidene-imidazo[1,2-a]imidazol-5-one",NA,"C1=CC=C(C=C1)CN2C=C(N3C2=NC(=CC4=CC=CC=C4)C3=O)N","QXAUSNHBKJVORY-WJDWOHSUSA-N",5918309,NA,"PDBC05958","686433","Present",NA,NA
+"5959","(6Z)-3-Amino-6-(2-furylmethylene)-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-3-Amino-6-(2-furylmethylene)-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one",NA,"C1=COC(=C1)C=C2C(=O)N3C(=CN(C3=N2)CCCO)N","DZKBKLZBLACZNY-YFHOEESVSA-N",6475565,NA,"PDBC05959","686435","Present",NA,NA
+"5960","(6Z)-3-Amino-6-[(2-hydroxyphenyl)methylene]-5-oxo-imidazo[2,1-b]thiazole-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-3-Amino-6-[(2-hydroxyphenyl)methylene]-5-oxo-imidazo[2,1-b]thiazole-2-carbonitrile",NA,"C1=CC(=CC2=C(N3C(=C(SC3=N2)C#N)N)O)C(=O)C=C1","APYSOOSMIUKATO-ALCCZGGFSA-N",135505115,NA,"PDBC05960","684381","Present",NA,NA
+"5961","(6Z)-3-Amino-6-benzylidene-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-3-Amino-6-benzylidene-1-(3-hydroxypropyl)imidazo[1,2-a]imidazol-5-one",NA,"C1=CC=C(C=C1)C=C2C(=O)N3C(=CN(C3=N2)CCCO)N","KVTGJEQVBVDSGC-XFXZXTDPSA-N",5916940,NA,"PDBC05961","686434","Present",NA,NA
+"5962","(6Z)-3-Benzyl-6-[(4-dimethylaminophenyl)methylene]thiazolo[2,3-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-3-Benzyl-6-[(4-dimethylaminophenyl)methylene]thiazolo[2,3-c][1,2,4]triazol-5-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)CC4=CC=CC=C4","NTCDRAWSLHNGLG-ATVHPVEESA-N",5786806,NA,"PDBC05962","637639","Present",NA,NA
+"5963","(6Z)-3-Phenyl-6-(p-tolylmethylene)thiazolo[2,3-b]thiazol-4-ium-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-3-Phenyl-6-(p-tolylmethylene)thiazolo[2,3-b]thiazol-4-ium-5-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC=CC=C4","LLDSFSVXWQFHFS-BOPFTXTBSA-N",5478629,NA,"PDBC05963","657718","Present",NA,NA
+"5964","(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-(2-furyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-(2-furyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N4C(=NN=C4S3)C5=CC=CO5","HTWRBHOQZOJEDI-QPEQYQDCSA-N",5893388,NA,"PDBC05964","637612","Present",NA,NA
+"5965","(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-(m-tolyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-(m-tolyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,"CC1=CC(=CC=C1)C2=NN=C3N2C(=O)C(=CC4=CC5=C(C=C4)OCO5)S3","AIJUKDGKIIOXRC-SXGWCWSVSA-N",5932733,NA,"PDBC05965","637615","Present",NA,NA
+"5966","(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-benzyl-thiazolo[2,3-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-(1,3-Benzodioxol-5-ylmethylene)-3-benzyl-thiazolo[2,3-c][1,2,4]triazol-5-one",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N4C(=NN=C4S3)CC5=CC=CC=C5","SMKFKRCSRCEISJ-SXGWCWSVSA-N",5915794,NA,"PDBC05966","637608","Present",NA,NA
+"5967","(6Z)-6-(2-Furylmethylene)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-(2-Furylmethylene)-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one",NA,"C1=COC(=C1)C=C2C(=N)N3C(=NC2=O)SC=N3","MMHFYPMTJVTSIU-URBZRCENSA-N",890655,NA,"PDBC05967","677205","Present",NA,NA
+"5968","(6Z)-6-(2-Phenylhydrazinylidene)chrysen-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-(2-Phenylhydrazinylidene)chrysen-5(6H)-one",NA,"C1=CC=C(C=C1)N=NC2=C(C3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)O","FPYVIHBFSAEKPV-UHFFFAOYSA-N",345279,NA,"PDBC05968","402787","Present",NA,NA
+"5969","(6Z)-6-Hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-Hydroxyimino-12-azadispiro[4.1.47.25]tridecan-13-one",NA,"C1CCC2(C1)C(=NO)C3(CCCC3)NC2=O","GUYVWOZQZLLUDM-ZROIWOOFSA-N",6516263,NA,"PDBC05969","629129","Present",NA,NA
+"5970","(6Z)-6-[(2-Nitrophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-[(2-Nitrophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,"C1=CC=C(C(=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CN=CC=C4)[N+](=O)[O-]","FSRJYDVLVFHNDO-JYRVWZFOSA-N",5388226,NA,"PDBC05970","633925","Present",NA,NA
+"5971","(6Z)-6-[(3,4,5-Trimethoxyphenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-[(3,4,5-Trimethoxyphenyl)methylene]-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2CCCC3=CC=CC=C3C2=O","ULNALHGZYSDIFI-WJDWOHSUSA-N",5469698,NA,"PDBC05971","691564","Present",NA,NA
+"5972","(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(2-furyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(2-furyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CC=CO4","SBFKMLLYWBKTBA-UVTDQMKNSA-N",6078988,NA,"PDBC05972","637634","Present",NA,NA
+"5973","(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(3-pyridyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CN=CC=C4","POSSXXCOJXDJMD-GDNBJRDFSA-N",852536,NA,"PDBC05973","637613","Present",NA,NA
+"5974","(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(m-tolyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6Z)-6-[(4-Dimethylaminophenyl)methylene]-3-(m-tolyl)thiazolo[2,3-c][1,2,4]triazol-5-one",NA,"CC1=CC(=CC=C1)C2=NN=C3N2C(=O)C(=CC4=CC=C(C=C4)N(C)C)S3","SAYBWVRSIYUUSO-ATVHPVEESA-N",5816608,NA,"PDBC05974","637596","Present",NA,NA
+"5975","(7,12,13,14-Tetraacetyloxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7,12,13,14-Tetraacetyloxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),11(15),12-hexaen-6-yl) acetate",NA,"CC(=O)OC1=C(C2=C3C(=C1)C(=O)OC4=C(C(=C(C(=C34)C(=O)O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","QLHRNXMRTLKUDR-UHFFFAOYSA-N",333594,NA,"PDBC05975","335995","Present",NA,NA
+"5976","(7,7-Diethoxy-3-((((4-methylphenyl)sulfonyl)oxy)methyl)bicyclo[2.2.1]hept-5-en-2-yl)methyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7,7-Diethoxy-3-[(4-methylphenyl)sulfonyloxymethyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl 4-methylbenzenesulfonate",NA,"CCOC1(C2C=CC1C(C2COS(=O)(=O)C3=CC=C(C=C3)C)COS(=O)(=O)C4=CC=C(C=C4)C)OCC","PYDRXDVEZHSWRX-UHFFFAOYSA-N",384299,NA,"PDBC05976","673916","Present",NA,NA
+"5977","(7,7-Dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;N-(1-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7,7-Dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonic acid;N-(1-methyl-2,6-diphenylpiperidin-4-ylidene)hydroxylamine",NA,"CC1(C2CCC1(C(=O)C2)CS(=O)(=O)O)C.CN1C(CC(=NO)CC1C2=CC=CC=C2)C3=CC=CC=C3","IULVGBAEZJLGBY-UHFFFAOYSA-N",435046,NA,"PDBC05977","363744","Present",NA,NA
+"5978","(7,8-Dichloro-2-((((cyclohexylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl cyclohexylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7,8-Dichloro-2-(cyclohexylcarbamoyloxymethyl)-1-methylbenzo[g]indol-3-yl]methyl N-cyclohexylcarbamate",NA,"CN1C(=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)COC(=O)NC4CCCCC4)COC(=O)NC5CCCCC5","WGGOGXHAFCCSHN-UHFFFAOYSA-N",388468,NA,"PDBC05978","683404","Present",NA,NA
+"5979","(7,8-Dichloro-2-((((isopropylamino)carbonyl)oxy)methyl)-1-methyl-1H-benzo[g]indol-3-yl)methyl isopropylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7,8-Dichloro-1-methyl-2-(propan-2-ylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate",NA,"CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=CC(=C(C=C32)Cl)Cl)C)COC(=O)NC(C)C","BUNVZMNEQBXYOM-UHFFFAOYSA-N",388463,NA,"PDBC05979","683399","Present",NA,NA
+"5980","(7-((1,3-Benzodioxol-5-ylmethylene)amino)-9H-fluoren-2-yl)(hydroxy)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-((1,3-Benzodioxol-5-ylmethylene)amino)-9H-fluoren-2-yl)(hydroxy)azane oxide",NA,"C1C2=C(C=CC(=C2)N=CC3=CC4=C(C=C3)OCO4)C5=C1C=C(C=C5)[N+](=O)[O-]","WYFFTUUXAVQKJF-UHFFFAOYSA-N",274945,NA,"PDBC05980","121304","Present",NA,NA
+"5981","(7-(Dimethylamino)-3H-phenoxazin-3-ylidene)dimethylammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-17699",NA,"CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3O2.[Cl-]","SIZBKKAUPNRYKZ-UHFFFAOYSA-M",209687,NA,"PDBC05981","409417","Present",NA,NA
+"5982","(7-Arsonophenazin-2-yl)arsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-35682",NA,"C1=CC2=C(C=C1[As](=O)(O)O)N=C3C=CC(=CC3=N2)[As](=O)(O)O","PILIXWMETGYBEO-UHFFFAOYSA-N",234890,NA,"PDBC05982","35682","Present",NA,NA
+"5983","(7-Benzyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-Benzyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetic acid",NA,"C1=CC=C(C=C1)CN2C=NC3=C2C(=O)NC(=O)N3CC(=O)O","GXMSXYTXUUJERF-UHFFFAOYSA-N",367812,NA,"PDBC05983","637877","Present",NA,NA
+"5984","(7-Chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxylic acid 2-methyl-8-quinolyl)4,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methylquinolin-8-yl) 8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxylate",NA,"CC1=NC2=C(C=CC=C2OC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O)C=C1","PBLMHZGUFVOFID-UHFFFAOYSA-N",397032,NA,"PDBC05984","704314","Present",NA,NA
+"5985","(7-Chloro-1-oxy-3-trifluoromethyl-quinoxalin-2-yl)-furan-2-yl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-Chloro-1-oxy-3-trifluoromethyl-quinoxalin-2-yl)-furan...",NA,"C1=COC(=C1)C(=O)C2=[N+](C3=C(C=CC(=C3)Cl)N=C2C(F)(F)F)[O-]","AAESIUWKQAMLGA-UHFFFAOYSA-N",54612672,NA,"PDBC05985","741432","Present",NA,NA
+"5986","(7-Chloro-4-hydroxy-5-oxo-thieno[3,2-b]xanthen-11-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-Chloro-4-hydroxy-5-oxo-thieno[3,2-b]xanthen-11-yl) acetate",NA,"CC(=O)OC1=C2C(=C(C3=C1OC4=C(C3=O)C=C(C=C4)Cl)O)C=CS2","BZLVRSJMEKBCTK-UHFFFAOYSA-N",5466315,NA,"PDBC05986","685032","Present",NA,NA
+"5987","(7-Diphenylphosphoryl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)methyl-triethyl-$l^{4}-sulfane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-Diphenylphosphoryl-1,2,3,4,6,7,8,8a-octahydronaphthalen-1-yl)methyl-triethyl-$l^{4}-sulfane",NA,"CCS(CC)(CC)CC1CCCC2=CCC(CC12)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","QSMSZCUPJSORMZ-UHFFFAOYSA-N",364910,NA,"PDBC05987","631798","Present",NA,NA
+"5988","(7-Fluoro-4-oxy-3-trifluoromethyl-quinoxalin-2-yl)-furan-2-yl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-Fluoro-4-oxy-3-trifluoromethyl-quinoxalin-2-yl)-furan...",NA,"C1=COC(=C1)C(=O)C2=NC3=C(C=CC(=C3)F)[N+](=C2C(F)(F)F)[O-]","ZOYGABOUBNFVHT-UHFFFAOYSA-N",54612701,NA,"PDBC05988","741430","Present",NA,NA
+"5989","(7-Fluoro-4-oxy-3-trufluoromethyl-quinoxalin-2-yl)-naphthalen-2-yl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-fluoro-4-oxy-3-trufluoromethyl-quinoxalin-2-yl)-napht...",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C3=NC4=C(C=CC(=C4)F)[N+](=C3C(F)(F)F)[O-]","CYCAZWZDRQJQNK-UHFFFAOYSA-N",54612673,NA,"PDBC05989","741434","Present",NA,NA
+"5990","(7-Isopropoxy-5-oxo-thiazolo[3,2-a]pyridin-8-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Acetoxy-7-isopropoxy-5H-thiazolo[3,2-a]pyridine-5-one",NA,"CC(C)OC1=CC(=O)N2C=CSC2=C1OC(=O)C","HOVNHUWTSKQDOC-UHFFFAOYSA-N",389265,NA,"PDBC05990","685018","Present",NA,NA
+"5991","(7-Methoxy-1,2,3-benzodithiazol-4-ylidene)-methyloxidanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-Methoxy-1,2,3-benzodithiazol-4-ylidene)-methyloxidanium;chloride",NA,"COC1=C2C(=NSS2)C(=[O+]C)C=C1.[Cl-]","DJDLHKIFHRAYGU-UHFFFAOYSA-M",359780,NA,"PDBC05991","621346","Present",NA,NA
+"5992","(7-Methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)-(3,4,5-trimethoxyphenyl)methanone",NA,"CC1C2=C(CCN1C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]","ASBZUCQMVJQGRJ-UHFFFAOYSA-N",363622,NA,"PDBC05992","628651","Present",NA,NA
+"5993","(7-Methoxy-1-naphthyl)(7-methyl-2,3-dihydro-1H-inden-4-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-Methoxy-1-naphthyl)(7-methyl-2,3-dihydro-1H-inden-4-yl)methanone",NA,"CC1=C2CCCC2=C(C=C1)C(=O)C3=CC=CC4=C3C=C(C=C4)OC","XCBMIRIEAPUDNC-UHFFFAOYSA-N",362066,NA,"PDBC05993","625588","Present",NA,NA
+"5994","(7-Methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-Methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)imino]-oxidoazanium",NA,"COC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N=[N+](C4=CC5=C(C=C4)C6=C(C5)C=C(C=C6)OC)[O-]","RRRRLIBKNAGCTJ-UHFFFAOYSA-N",280491,NA,"PDBC05994","132230","Present",NA,NA
+"5995","(7-Methyl-3,5,9-trioxo-4,8-diphenyl-10-oxa-4,8-diazatricyclo[5.2.1.02,6]decan-1-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-Methyl-3,5,9-trioxo-4,8-diphenyl-10-oxa-4,8-diazatricyclo[5.2.1.02,6]decan-1-yl) acetate",NA,"CC(=O)OC12C3C(C(=O)N(C3=O)C4=CC=CC=C4)C(O1)(N(C2=O)C5=CC=CC=C5)C","GJQTXKBMFJUNKW-UHFFFAOYSA-N",397440,NA,"PDBC05995","705298","Present",NA,NA
+"5996","(7-Methyl-6-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-6-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidaz...",NA,"CC1=CC2=C(C=C1[N+](=O)[O-])N=C3N2CCC3OC(=O)C","DEXLKNONEAEPLD-UHFFFAOYSA-N",389492,NA,"PDBC05996","685715","Present",NA,NA
+"5997","(7Ar)-1,6-bis(4-methoxyphenyl)-7a-phenyl-5,7-dihydroimidazo[1,5-b][1,2,4]oxadiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Ar)-1,6-bis(4-methoxyphenyl)-7a-phenyltetrahydroimidazo[1,5-b][1,2,4]oxadiazol-2(1h)-one",NA,"COC1=CC=C(C=C1)N2CC3(N(C2)OC(=O)N3C4=CC=C(C=C4)OC)C5=CC=CC=C5","SDGLPUMPHYFLKC-XMMPIXPASA-N",402882,NA,"PDBC05997","717189","Present",NA,NA
+"5998","(7Ar)-1,7abeta-Diphenyl-6-p-tolyltetrahydroimidazo[1,5-b][1,2,4]oxadiazol-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Ar)-6-(4-methylphenyl)-1,7a-diphenyltetrahydroimidazo[1,5-b][1,2,4]oxadiazol-2(1h)-one",NA,"CC1=CC=C(C=C1)N2CC3(N(C2)OC(=O)N3C4=CC=CC=C4)C5=CC=CC=C5","STWMQDGFMHHRAL-HSZRJFAPSA-N",402881,NA,"PDBC05998","717188","Present",NA,NA
+"5999","(7Ar)-7,9-dimethoxy-3-(thiophen-2-ylmethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Ar)-7,9-dimethoxy-3-(thiophen-2-ylmethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline;(E)-but-2-enedioic acid",NA,"COC1C=CC2C3CC4=C5C2(C1OC5=C(C=C4)OC)CCN3CC6=CC=CS6.C(=CC(=O)O)C(=O)O","ANKLCZMOFXTONM-RSBMXMACSA-N",5471115,NA,"PDBC05999","708845","Present",NA,NA
+"6000","(7As)-2-methyl-3-prop-2-enyl-1,6,7,7a-tetrahydroinden-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7As)-2-methyl-3-prop-2-enyl-1,6,7,7a-tetrahydroinden-5-one",NA,"CC1=C(C2=CC(=O)CCC2C1)CC=C","HCGMOUUTCMZXFP-JTQLQIEISA-N",359292,NA,"PDBC06000","620036","Present",NA,NA
+"6001","(7E)-2,5-Dimethyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E)-2,5-Dimethyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,"CN1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C)C4=CC=CS4","IGQWEABOPCBVFJ-FMIVXFBMSA-N",5470920,NA,"PDBC06001","706217","Present",NA,NA
+"6002","(7E)-2-Phenyl-5,6-dihydro-1,3,7,2-benzodioxazaborecin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E)-2-Phenyl-5,6-dihydro-1,3,7,2-benzodioxazaborecin-4-one",NA,NA,NA,NA,NA,"PDBC06002","678506","Present",NA,NA
+"6003","(7E)-3-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylene]-4-methyl-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E)-3-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-4-methyl-2-phenyl-3a,4,5,6-tetrahydro-3H-indazole",NA,"CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C3=NN(C(C13)C4=CC(=C(C=C4)OC)OC)C5=CC=CC=C5","ZKOZLCONQCFUCC-OQKWZONESA-N",5829940,NA,"PDBC06003","690752","Present",NA,NA
+"6004","(7E)-3-(4-Chlorophenyl)-7-[(4-chlorophenyl)methylidene]-5-ethyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E)-3-(4-Chlorophenyl)-7-[(4-chlorophenyl)methylidene]-5-ethyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,"CCN1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C4=CC=CC=C4)C5=CC=C(C=C5)Cl","FZTNUZOREMAQPD-LTGZKZEYSA-N",5470865,NA,"PDBC06004","706009","Present",NA,NA
+"6005","(7E)-3-(4-Chlorophenyl)-7-[(4-methoxyphenyl)methylene]-3,4-dihydro-2H-thiazolo[3,2-b][1,2,4,5]tetrazin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chloro-phenyl)-7-(4-methoxy-benzylidene)-3,4-dihydro-2H-thiazolo[3,2-b][1,2,4,5]tetrazin-6-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C(=NNC(N3)C4=CC=C(C=C4)Cl)S2","TXIYTMOAUMODBG-XNTDXEJSSA-N",5387457,NA,"PDBC06005","623789","Present",NA,NA
+"6006","(7E)-3-(4-Methoxyphenyl)-7-[(4-methoxyphenyl)methylene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E)-3-(4-Methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-2-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,"CN1CC2C(N(N=C2C(=CC3=CC=C(C=C3)OC)C1)C4=CC=CC=C4)C5=CC=C(C=C5)OC","ZGZNFZMNAFLLAL-OQKWZONESA-N",5470906,NA,"PDBC06006","706202","Present",NA,NA
+"6007","(7E)-5-Ethyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E)-5-Ethyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,"CCN1CC2C(N(N=C2C(=CC3=CC(=C(C(=C3)OC)OC)OC)C1)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC","DCZQYXXNARKPSE-OEAKJJBVSA-N",5470866,NA,"PDBC06007","706010","Present",NA,NA
+"6008","(7E)-5-Methyl-2-phenyl-3-(2-thienyl)-7-(2-thienylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E)-5-Methyl-2-phenyl-3-thiophen-2-yl-7-(thiophen-2-ylmethylidene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,"CN1CC2C(N(N=C2C(=CC3=CC=CS3)C1)C4=CC=CC=C4)C5=CC=CS5","CXSQILIHTWRLFQ-DTQAZKPQSA-N",5470914,NA,"PDBC06008","706211","Present",NA,NA
+"6009","(7E)-5-Methyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E)-5-Methyl-2-phenyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazole",NA,"CC1CC2C(N(N=C2C(=CC3=CC(=C(C(=C3)OC)OC)OC)C1)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC","OORKEQDKCJRCLO-PXLXIMEGSA-N",24205932,NA,"PDBC06009","737352","Present",NA,NA
+"6010","(7E)-5-Methyl-2-phenyl-3-(p-tolyl)-7-(p-tolylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E)-5-Methyl-2-phenyl-3-(p-tolyl)-7-(p-tolylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine",NA,"CC1=CC=C(C=C1)C=C2CN(CC3C2=NN(C3C4=CC=C(C=C4)C)C5=CC=CC=C5)C","LESIUXAPNLUCAI-JJIBRWJFSA-N",5470910,NA,"PDBC06010","706206","Present",NA,NA
+"6011","(7E)-7-Hydroxyimino-9,11-diiodo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E)-7-Hydroxyimino-9,11-diiodo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-4-one",NA,"C12C(C(=NO)C3=C(SC(=C31)I)I)OC(=O)N2","LIGJNTULHSOOPS-UUILKARUSA-N",9571630,NA,"PDBC06011","691896","Present",NA,NA
+"6012","(7E,7Ar)-3-(cyclopropylmethyl)-7-methoxyimino-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7E,7Ar)-3-(cyclopropylmethyl)-7-methoxyimino-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol",NA,"CON=C1CCC2(C3CC4=C5C2(C1OC5=C(C=C4)O)CCN3CC6CC6)O","VWOIFQZBOVNOIX-TVESCFJFSA-N",9572217,NA,"PDBC06012","707479","Present",NA,NA
+"6013","(7H-Pyrido[4,3-c]carbazol-6-yl)methyl methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7h-pyrido[4,3-c]carbazole-6-methanol,methylcarbamate (es...",NA,"CNC(=O)OCC1=C2C(=C3C=NC=CC3=C1)C4=CC=CC=C4N2","PJIHPQGCZPTWGM-UHFFFAOYSA-N",364733,NA,"PDBC06013","631391","Present",NA,NA
+"6014","(7R,8R)-Agi-B4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7R,8R)-Agi-B4",NA,"COC(=O)C1C(C=CC2=C1C(=O)C3=C(C=C(C=C3O2)CO)O)O","MPAKYMOQGZITTQ-OQPBUACISA-N",5472392,NA,"PDBC06014","718342","Present",NA,NA
+"6015","(7S,7As)-7-phenyl-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7S,7As)-7-phenyl-5,7,7a,8,9,10-hexahydroindolizino[7,6-c]quinoline-6,12-dione",NA,"C1CC2C(C3=C(C4=CC=CC=C4NC3=O)C(=O)N2C1)C5=CC=CC=C5","HRHXFCOEVBTIKE-DLBZAZTESA-N",60147810,NA,"PDBC06015","752460","Present",NA,NA
+"6016","(7S,9S)-7-[(4-Amino-5-hydroxy-6-methyl-2-oxanyl)oxy]-6,9,11-trihydroxy-9-(2-hydroxy-1-oxoethyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adriamycin deriv., mixt. with hydroxyethyl starch (cross...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O","AOJJSUZBOXZQNB-SNFLSGHGSA-N",32875,NA,"PDBC06016","307241","Present",NA,NA
+"6017","(7Z)-3-[(2-Chlorophenoxy)methyl]-7-[(4-chlorophenyl)methylene]-6-(2,4-dichloro-5-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-3-[(2-Chlorophenoxy)methyl]-7-[(4-chlorophenyl)methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"C1=CC=C(C(=C1)OCC2=NN=C3N2N=C(C(=CC4=CC=C(C=C4)Cl)S3)C5=CC(=C(C=C5Cl)Cl)F)Cl","PDEXNIXMYIVYDO-NKVSQWTQSA-N",5471719,NA,"PDBC06017","713310","Present",NA,NA
+"6018","(7Z)-3-[(4-Chloro-3-methyl-phenoxy)methyl]-7-[(4-chlorophenyl)methylene]-6-(2,4-dichloro-5-fluoro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-3-[(4-Chloro-3-methylphenoxy)methyl]-7-[(4-chlorophenyl)methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=C(C=CC(=C1)OCC2=NN=C3N2N=C(C(=CC4=CC=C(C=C4)Cl)S3)C5=CC(=C(C=C5Cl)Cl)F)Cl","IUHDNAPVHKTPKI-AFPJDJCSSA-N",5471721,NA,"PDBC06018","713312","Present",NA,NA
+"6019","(7Z)-3-[(4-Chloro-3-methylphenoxy)methyl]-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-3-[(4-Chloro-3-methylphenoxy)methyl]-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=C(C=CC(=C1)OCC2=NN=C3N2N=C(C(=CC4=CC=C(O4)C5=CC=C(C=C5)Cl)S3)C6=CC(=C(C=C6Cl)Cl)F)Cl","UNAKLLHMFWNQSS-RAWMCFOBSA-N",5472468,NA,"PDBC06019","719149","Present",NA,NA
+"6020","(7Z)-5-Ethylsulfanyl-7-(2-furylmethylene)imidazo[5,1-c][1,2,4]triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-5-Ethylsulfanyl-7-(2-furylmethylene)imidazo[5,1-c][1,2,4]triazole",NA,"CCSC1=NC(=CC2=CC=CO2)C3=NN=CN31","LVCDRAQQNKUJGR-TWGQIWQCSA-N",5469747,NA,"PDBC06020","691985","Present",NA,NA
+"6021","(7Z)-5-Ethylsulfanyl-7-(2-furylmethylene)imidazo[5,1-e]tetrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-5-Ethylsulfanyl-7-(2-furylmethylene)imidazo[5,1-e]tetrazole",NA,"CCSC1=NC(=CC2=CC=CO2)C3=NN=NN31","IUIOFMGSZAWCEO-VURMDHGXSA-N",5469750,NA,"PDBC06021","691991","Present",NA,NA
+"6022","(7Z)-6-(2,4-Dichloro-5-fluorophenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-6-(2,4-Dichloro-5-fluorophenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=NN=C2N1N=C(C(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])S2)C5=CC(=C(C=C5Cl)Cl)F","RSKMBCVJJTXKLP-ZBKNUEDVSA-N",5471360,NA,"PDBC06022","710781","Present",NA,NA
+"6023","(7Z)-6-(4-Methoxyphenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-6-(4-Methoxyphenyl)-3-methyl-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=NN=C2N1N=C(C(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])S2)C5=CC=C(C=C5)OC","AVYHEOSFYGSIEJ-BKUYFWCQSA-N",5471358,NA,"PDBC06023","710779","Present",NA,NA
+"6024","(7Z)-6-(4-Methoxyphenyl)-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-6-(4-Methoxyphenyl)-7-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2=CC4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6","JEZXJZZFEYBKRX-UQQQWYQISA-N",5471361,NA,"PDBC06024","710782","Present",NA,NA
+"6025","(7Z)-7-Benzylideneazepan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629642",NA,"C1CCC(=O)NC(=CC2=CC=CC=C2)C1","ZYPJMOWTDLAPDX-BENRWUELSA-N",5387910,NA,"PDBC06025","629642","Present",NA,NA
+"6026","(7Z)-7-[(4-Hydroxyphenyl)methylidene]-4'-methylspiro[2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazine-3,1'-cyclohexane]-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-7-[(4-Hydroxyphenyl)methylidene]-4'-methylspiro[2,4-dihydro-[1,3]thiazolo[3,2-b][1,2,4,5]tetrazine-3,1'-cyclohexane]-6-one",NA,"CC1CCC2(CC1)NN=C3N(N2)C(=O)C(=CC4=CC=C(C=C4)O)S3","FLBIKYAMFOVZFI-UVTDQMKNSA-N",5387454,NA,"PDBC06026","623786","Present",NA,NA
+"6027","(7Z)-7-[[5-(2-Chloro-4-nitrophenyl)furan-2-yl]methylidene]-6-(2,4-dichlorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-7-[[5-(2-Chloro-4-nitrophenyl)furan-2-yl]methylidene]-6-(2,4-dichlorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=NN=C2N1N=C(C(=CC3=CC=C(O3)C4=C(C=C(C=C4)[N+](=O)[O-])Cl)S2)C5=C(C=C(C=C5)Cl)Cl","YLALJLHSAJOZBK-JMIUGGIZSA-N",5473360,NA,"PDBC06027","725202","Present",NA,NA
+"6028","(7Z)-7-[[5-(4-Chlorophenyl)furan-2-yl]methylidene]-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-7-[[5-(4-Chlorophenyl)furan-2-yl]methylidene]-3-methyl-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=NN=C2N1N=C(C(=CC3=CC=C(O3)C4=CC=C(C=C4)Cl)S2)C5=CC=CC=C5","KYHVFGRFVXAXDT-MOSHPQCFSA-N",5471359,NA,"PDBC06028","710780","Present",NA,NA
+"6029","(7s)-7-Hydroxy-1,2,3-trimethoxy-10-methylsulfanyl-6,7-dihydro-5h-benzo [a]heptalen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7s)-7-Hydroxy-1,2,3-trimethoxy-10-(methylsulfanyl)-6,7-dihydrobenzo[a]heptalen-9(5h)-one",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)O)OC)OC","JHFPQOLAHRTDAC-AWEZNQCLSA-N",391584,NA,"PDBC06029","691039","Present",NA,NA
+"6030","(8,9-Dimethyl-2-oxo-3-phenyl-5H-pyrano[3,2-c]chromen-5-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8,9-Dimethyl-2-oxo-3-phenyl-5H-pyrano[3,2-c]chromen-5-yl) acetate",NA,"CC1=CC2=C(C=C1C)OC(C3=C2OC(=O)C(=C3)C4=CC=CC=C4)OC(=O)C","FXAJWNWLWFZDIV-UHFFFAOYSA-N",45029154,NA,"PDBC06030","745523","Present",NA,NA
+"6031","(8-Allyl-2,5-dihydroxy-6-oxo-4,7-dioxabicyclo[3.2.1]octan-8-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8-Allyl-2,5-dihydroxy-6-oxo-4,7-dioxabicyclo[3.2.1]octan-8-yl) acetate",NA,"CC(=O)OC1(C2C(COC1(C(=O)O2)O)O)CC=C","AAVGWAACBKBXKH-UHFFFAOYSA-N",496148,NA,"PDBC06031","680541","Present",NA,NA
+"6032","(8-Butanoyloxy-4-methyl-2-oxochromen-7-yl) butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8-Butanoyloxy-4-methyl-2-oxo-chromen-7-yl) butanoate",NA,"CCCC(=O)OC1=C(C2=C(C=C1)C(=CC(=O)O2)C)OC(=O)CCC","JXGOBGICZLSIGY-UHFFFAOYSA-N",390804,NA,"PDBC06032","688802","Present",NA,NA
+"6033","(8-Chloro-3-methyl-2-quinolinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8-Chloro-3-methyl-2-quinolinyl)(phenyl)methanone",NA,"CC1=CC2=C(C(=CC=C2)Cl)N=C1C(=O)C3=CC=CC=C3","CPSJTMFERSFMLK-UHFFFAOYSA-N",370208,NA,"PDBC06033","642952","Present",NA,NA
+"6034","(8-Hydroxy-2-quinolinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8-Hydroxy-2-quinolinyl)(phenyl)methanone",NA,"C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC=C3O)C=C2","VAFYGDVFWDZPGU-UHFFFAOYSA-N",370206,NA,"PDBC06034","642950","Present",NA,NA
+"6035","(8-Methoxy-2-quinolinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8-Methoxy-2-quinolinyl)(phenyl)methanone",NA,"COC1=CC=CC2=C1N=C(C=C2)C(=O)C3=CC=CC=C3","KPIGQDOHAUTNFS-UHFFFAOYSA-N",370207,NA,"PDBC06035","642951","Present",NA,NA
+"6036","(8-Methoxy-3-methyl-2-quinolinyl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8-Methoxy-3-methyl-2-quinolinyl)(phenyl)methanone",NA,"CC1=CC2=C(C(=CC=C2)OC)N=C1C(=O)C3=CC=CC=C3","MWUDYGVZTMYVSX-UHFFFAOYSA-N",370205,NA,"PDBC06036","642949","Present",NA,NA
+"6037","(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)(phenyl)methanone",NA,"COC1=C2C3=C(CCCC3=C(O2)C(=O)C4=CC=CC=C4)C=C1","ORJJJSZKCLMUPK-UHFFFAOYSA-N",361580,NA,"PDBC06037","624761","Present",NA,NA
+"6038","(8-Methyl-2,4-dioxo-1-phenyl-3,8-diazaspiro[4.5]decan-3-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8-Methyl-2,4-dioxo-1-phenyl-3,8-diazaspiro[4.5]decan-3-yl)urea",NA,"CN1CCC2(CC1)C(C(=O)N(C2=O)NC(=O)N)C3=CC=CC=C3","GOUUWWGKEDNESJ-UHFFFAOYSA-N",380274,NA,"PDBC06038","665752","Present",NA,NA
+"6039","(8-Methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) N,N-dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8-Methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl) N,N-dimethylcarbamate",NA,"CN1C2CCC1C=C(C2)OC(=O)N(C)C","RTYZIDURQOZQMO-UHFFFAOYSA-N",398279,NA,"PDBC06039","707993","Present",NA,NA
+"6040","(8Abeta)-6-[(R)-2-Methylhexylidene]-8-methyl-8alpha-(benzyloxy)octahydroindolizine-7beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E,7R,8R,8As)-8-methyl-6-[(2R)-2-methylhexylidene]-8-phenylmethoxy-1,2,3,5,7,8a-hexahydroindolizin-7-ol",NA,"CCCCC(C)C=C1CN2CCCC2C(C1O)(C)OCC3=CC=CC=C3","OQYDSVGYSHAEGF-HZGJPHOCSA-N",5470307,NA,"PDBC06040","699382","Present",NA,NA
+"6041","(8Ar)-5,8a-dimethyl-1,6,7,8-tetrahydronaphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8Ar)-5,8a-dimethyl-1,6,7,8-tetrahydronaphthalen-2-one",NA,"CC1=C2C=CC(=O)CC2(CCC1)C","UMKOLZAUDGXBRU-GFCCVEGCSA-N",359286,NA,"PDBC06041","620030","Present",NA,NA
+"6042","(8As)-8a-methyl-3,4,4a,5,7,8-hexahydro-2H-naphthalene-1,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8As)-8a-methyl-3,4,4a,5,7,8-hexahydro-2H-naphthalene-1,6-dione",NA,"CC12CCC(=O)CC1CCCC2=O","ZJSVCHHHFPMBHS-LYNSQETBSA-N",359567,NA,"PDBC06042","620558","Present",NA,NA
+"6043","(8E)-2-Amino-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylene]-5-methyl-6,7-dihydro-5H-quinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-2-Amino-4-(3,4-dimethoxyphenyl)-8-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-6,7-dihydro-5H-quinoline-3-carbonitrile",NA,"CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C3=C1C(=C(C(=N3)N)C#N)C4=CC(=C(C=C4)OC)OC","IDUMFZXQINSGQR-XDHOZWIPSA-N",5934964,NA,"PDBC06043","690754","Present",NA,NA
+"6044","(8E)-2-Amino-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-5,7-dihydro-1,6-naphthyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-2-Amino-4-(4-chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-5,7-dihydro-1,6-naphthyridine-3-carbonitrile",NA,"CCN1CC(=CC2=CC=C(C=C2)Cl)C3=NC(=C(C(=C3C1)C4=CC=C(C=C4)Cl)C#N)N","FGSIXIIEXHCTKE-GZTJUZNOSA-N",5470870,NA,"PDBC06044","706014","Present",NA,NA
+"6045","(8E)-2-Amino-6-methyl-4-(2-thienyl)-8-(2-thienylmethylene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-2-Amino-6-methyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile",NA,"CN1CC(=CC2=CC=CS2)C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CS4","HICPRZRMTPGVDW-XYOKQWHBSA-N",5470916,NA,"PDBC06045","706213","Present",NA,NA
+"6046","(8E)-2-Amino-6-methyl-4-(p-tolyl)-8-(p-tolylmethylene)-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-2-Amino-6-methyl-4-(4-methylphenyl)-8-[(4-methylphenyl)methylidene]-5,7-dihydro-4H-pyrano[3,2-c]pyridine-3-carbonitrile",NA,"CC1=CC=C(C=C1)C=C2CN(CC3=C2OC(=C(C3C4=CC=C(C=C4)C)C#N)N)C","LBPVNXBZELTUHJ-UDWIEESQSA-N",5470911,NA,"PDBC06046","706207","Present",NA,NA
+"6047","(8E)-2-Methyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-methyl-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-tr...",NA,"CC1=NC(C2=C(N1)C(=CC3=CC(=C(C(=C3)OC)OC)OC)CCC2)C4=CC(=C(C(=C4)OC)OC)OC","OOYHOXCOJZNFPY-WOJGMQOQSA-N",155814376,NA,"PDBC06047","765429","Present",NA,NA
+"6048","(8E)-4-(2,3,4-Trimethoxyphenyl)-8-[(2,3,4-trimethoxyphenyl)methylene]-4,5-dihydro-3H-thiopyrano[4,3-d]pyrimidine-2-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-4-(2,3,4-Trimethoxyphenyl)-8-[(2,3,4-trimethoxyphenyl)methylidene]-1,3,4,5-tetrahydrothiopyrano[4,3-d]pyrimidine-2-thione",NA,"COC1=C(C(=C(C=C1)C=C2CSCC3=C2NC(=S)NC3C4=C(C(=C(C=C4)OC)OC)OC)OC)OC","VRBDISWSXFESPU-PTNGSMBKSA-N",6280003,NA,"PDBC06048","670057","Present",NA,NA
+"6049","(8E)-4-(2-Furyl)-8-(2-furylmethylene)-6-methyl-5,7-dihydropyrido[4,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-4-(2-Furyl)-8-(2-furylmethylene)-6-methyl-5,7-dihydropyrido[4,3-d]pyrimidin-2-amine",NA,"CN1CC(=CC2=CC=CO2)C3=NC(=NC(=C3C1)C4=CC=CO4)N","CWKSCGLFYTXHIF-DHZHZOJOSA-N",5466911,NA,"PDBC06049","645612","Present",NA,NA
+"6050","(8E)-4-(3,4,5-Trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-8-(3,4,5-trimethoxybenzylidene)-4-(3,4,5-trimethoxyp...",NA,"COC1=CC(=CC(=C1OC)OC)C=C2CCCC3=C2NC(=NC3C4=CC(=C(C(=C4)OC)OC)OC)N","FKKCACGLVKDLID-MHWRWJLKSA-N",155808078,NA,"PDBC06050","763278","Present",NA,NA
+"6051","(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylene]-6-methyl-3,4,5,7-tetrahydropyrido[4,3-d]pyrimidine-2-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-methyl-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione;hydrochloride",NA,"CN1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(NC(=S)N3)C4=CC=C(C=C4)Cl.Cl","JRRBTQWEUASORX-GYVLLFFHSA-N",5468200,NA,"PDBC06051","666040","Present",NA,NA
+"6052","(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-4,5,6,7-tetrahydro-1H-quinazolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-8-(4-chlorobenzylidene)-4-(4-chlorophenyl)-3,4,5,6,7...",NA,"C1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(N=C(N3)N)C4=CC=C(C=C4)Cl","YURRPQLWNIWEOJ-NTCAYCPXSA-N",13170777,NA,"PDBC06052","763275","Present",NA,NA
+"6053","(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-2-oxo-5,7-dihydro-1H-1,6-naphthyridine-3-carbonitrile",NA,"CCN1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=C(C=C4)Cl","AFARXCRPCNOSDQ-GZTJUZNOSA-N",5471221,NA,"PDBC06053","709500","Present",NA,NA
+"6054","(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-4-(4-Chlorophenyl)-8-[(4-chlorophenyl)methylidene]-6-ethyl-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione",NA,"CCN1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(NC(=S)N3)C4=CC=C(C=C4)Cl","RXWPIGBFPHRQQY-LFIBNONCSA-N",5470867,NA,"PDBC06054","706011","Present",NA,NA
+"6055","(8E)-4-(4-Methoxyphenyl)-8-[(4-methoxyphenyl)methylene]-6-methyl-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-4-(4-Methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-6-methyl-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione",NA,"CN1CC2C(NC(=S)N=C2C(=CC3=CC=C(C=C3)OC)C1)C4=CC=C(C=C4)OC","MHDJXWPTXRZFFJ-SFQUDFHCSA-N",5470907,NA,"PDBC06055","706203","Present",NA,NA
+"6056","(8E)-6-Ethyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-6-Ethyl-4-(3,4,5-trimethoxyphenyl)-8-[(3,4,5-trimethoxyphenyl)methylidene]-3,4,5,7-tetrahydro-1H-pyrido[4,3-d]pyrimidine-2-thione",NA,"CCN1CC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C(C1)C(NC(=S)N3)C4=CC(=C(C(=C4)OC)OC)OC","VOPZVJNXHVVVFM-GIJQJNRQSA-N",5470868,NA,"PDBC06056","706012","Present",NA,NA
+"6057","(8E)-6-Methyl-2-oxo-4-(p-tolyl)-8-(p-tolylmethylene)-4a,5,7,8a-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-6-Methyl-4-(4-methylphenyl)-8-[(4-methylphenyl)methylidene]-2-oxo-4a,5,7,8a-tetrahydro-1H-1,6-naphthyridine-3-carbonitrile",NA,"CC1=CC=C(C=C1)C=C2CN(CC3C2NC(=O)C(=C3C4=CC=C(C=C4)C)C#N)C","CTVVSFYHMWPGST-UDWIEESQSA-N",5470912,NA,"PDBC06057","706208","Present",NA,NA
+"6058","(8E)-6-Methyl-4-(p-tolyl)-8-(p-tolylmethylene)-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-6-Methyl-4-(4-methylphenyl)-8-[(4-methylphenyl)methylidene]-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione",NA,"CC1=CC=C(C=C1)C=C2CN(CC3C2=NC(=S)NC3C4=CC=C(C=C4)C)C","TWQNLQSVHIFNMC-XDHOZWIPSA-N",5470909,NA,"PDBC06058","706205","Present",NA,NA
+"6059","(8E)-8-[(3,4-Dichlorophenyl)methylidene]-2-methyl-5-phenyl-2-azabicyclo[3.3.1]nonan-7-one;perchloric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-8-[(3,4-Dichlorophenyl)methylidene]-2-methyl-5-phenyl-2-azabicyclo[3.3.1]nonan-7-one;perchloric acid",NA,"CN1CCC2(CC1C(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)C2)C4=CC=CC=C4.OCl(=O)(=O)=O","OPWPTFFUELNNBS-SJDTYFKWSA-N",24202621,NA,"PDBC06059","715577","Present",NA,NA
+"6060","(8E)-8-[(6-Bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-8-[(6-Bromo-1,3-benzodioxol-5-yl)methylidene]-6H-[1,3]dioxolo[4,5-e]indol-7-one",NA,"C1OC2=C(O1)C3=C(C=C2)NC(=O)C3=CC4=CC5=C(C=C4Br)OCO5","ZJFBACMWMSCCKF-YCRREMRBSA-N",54606088,NA,"PDBC06060","103517","Present",NA,NA
+"6061","(8R)-2-Methoxy-8-(methoxymethoxy)-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R)-2-Methoxy-8-(methoxymethoxy)-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,"COCOC1CC2C=NC3=CC(=C(C=C3C(=O)N2C1)OC)OCC4=CC=CC=C4","JOUPKRQEJNRENR-ZYMOGRSISA-N",24202951,NA,"PDBC06061","726368","Present",NA,NA
+"6062","(8R)-8-Hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R)-8-Hydroxy-2-methoxy-3-phenylmethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)O)OCC4=CC=CC=C4","NPYAWVPHHKZHCW-YSSOQSIOSA-N",24202949,NA,"PDBC06062","726364","Present",NA,NA
+"6063","(8R,10R,13R,17R)-17-Hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,10R,13R,17R)-17-Hydroxy-10,13,17-trimethyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one",NA,"CC12CCC(=O)C=C1CCC3C2=CCC4(C3CCC4(C)O)C","BFMZZSBHQOCQFQ-JTJLRHCDSA-N",6712946,NA,"PDBC06063","89280","Present",NA,NA
+"6064","(8R,10R,13S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-olate;1-phenylbutane-1,3-dione;titanium(4+);hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".cis.-Bis(4-androstene-3-on-17.beta.-olato)bis(1-phenyl-...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC12CCC3C(C1CCC2[O-])CCC4=CC(=O)CCC34C.CC12CCC3C(C1CCC2[O-])CCC4=CC(=O)CCC34C.Cl.[Ti+4]","QKSFNHMRLDKJLV-PHIWCJHCSA-N",369322,NA,"PDBC06064","641077","Present",NA,NA
+"6065","(8R,9S)-9-Methyl-8-(2-methylprop-1-enyl)-9-(phenylmethoxymethyl)-1,4-dioxaspiro[4.4]nonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6s,7r)-6-(Benzyloxymethyl)-6-methyl-7-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.4]nonane",NA,"CC(=CC1CCC2(C1(C)COCC3=CC=CC=C3)OCCO2)C","RZLLAVTWFQPITJ-RTBURBONSA-N",395708,NA,"PDBC06065","700506","Present",NA,NA
+"6066","(8R,9S,10R,13S,14S)-17-Ethyl-7,15-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S)-17-Ethyl-7,15-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione",NA,"CCC1C(=O)C(C2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C)O","BVFSMCURQWGSNJ-XWUJPCASSA-N",393655,NA,"PDBC06066","695926","Present",NA,NA
+"6067","(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC=NC=C5)C4=O)C","AMKILYGJOCKGND-QAPYAIODSA-N",5472143,NA,"PDBC06067","716558","Present",NA,NA
+"6068","(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=O)C","AFRAMRMHMXULFV-SRXIZSCHSA-N",5470702,NA,"PDBC06068","704614","Present",NA,NA
+"6069","(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,16E)-10,13-Dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4=O)C","HIMMMBGXCVQTKO-CGPFZWBSSA-N",5472100,NA,"PDBC06069","716263","Present",NA,NA
+"6070","(8R,9S,10R,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C","SSJWRCJDABBSEM-AGWLWAPNSA-N",5472096,NA,"PDBC06070","716259","Present",NA,NA
+"6071","(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5C=CN=C5)C)O","RXLJNRSVCPVTJX-ABHKIEPHSA-N",390529,NA,"PDBC06071","687977","Present",NA,NA
+"6072","(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(C4=O)N5C=CN=C5)C","FJTZEZQHMRVBGI-ZWZXKMJASA-N",390531,NA,"PDBC06072","687979","Present",NA,NA
+"6073","(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5C=CN=C5)C)N6CCCC6","KRHIHQCEBCPCIT-XVQQVLLFSA-N",390532,NA,"PDBC06073","687980","Present",NA,NA
+"6074","(8R,9S,10R,13S,14S,16R)-3-Hydroxy-16-imidazol-1-yl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,16R)-3-Hydroxy-16-imidazol-1-yl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)N5C=CN=C5)C)O","YDDFIFPOTRPTLE-ZMWAEKESSA-N",390528,NA,"PDBC06074","687976","Present",NA,NA
+"6075","(8R,9S,10R,13S,14S,16Z)-16-Benzylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,16Z)-16-Benzylidene-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC=CC=C5)C4=O)C","IWHLHPSOYGLDQI-BPBRNRSZSA-N",5470423,NA,"PDBC06075","701568","Present",NA,NA
+"6076","(8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-17-carboxamide",NA,"CC12CCC3C(C1CCC2(C(=O)N)O)CCC4=CC(=O)C=CC34C","UEKHMYRVPWHCJR-VRYCVARASA-N",384648,NA,"PDBC06076","674691","Present",NA,NA
+"6077","(8R,9S,10R,13S,14S,17R)-17-Hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,17R)-17-Hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide",NA,"CC12CCC3C(C1CCC2(C(=O)N)O)CCC4=CC(=O)CCC34","XXDGCWWPOLJGKI-FIAUESIKSA-N",384647,NA,"PDBC06077","674690","Present",NA,NA
+"6078","(8R,9S,10R,13S,14S,17R)-17-Hydroxy-13-methyl-N-(2-methyl-4-oxopentan-2-yl)-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,17R)-17-Hydroxy-13-methyl-N-(2-methyl-4-oxopentan-2-yl)-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide",NA,"CC(=O)CC(C)(C)NC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34)C)O","LGWKYQYCAUNLCR-HGBFTFLOSA-N",384649,NA,"PDBC06078","674692","Present",NA,NA
+"6079","(8R,9S,10R,13S,14S,17S)-17-Acridin-9-yloxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,17S)-17-Acridin-9-yloxy-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one",NA,"C1CC2C(CCC2OC3=C4C=CC=CC4=NC5=CC=CC=C53)C6C1C7CCC(=O)C=C7CC6","SLWDEDNZLAEPDP-UCHFDKSKSA-N",397510,NA,"PDBC06079","705636","Present",NA,NA
+"6080","(8R,9S,10R,13S,14S,17S)-4,4-Diethyl-17-hydroxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,10R,13S,14S,17S)-4,4-Diethyl-17-hydroxy-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one",NA,"CCC1(C(=O)CCC2(C1=CCC3C2CCC4(C3CCC4O)C)C)CC","RVTQCGLEVRXMCP-ZLWSLIOBSA-N",398339,NA,"PDBC06080","708059","Present",NA,NA
+"6081","(8R,9S,13S,14S)-2,4-Dibromo-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromoestra-1,3,5(10)-trien-3-ol-17-one",NA,"CC12CCC3C(C1CCC2=O)CCC4=C(C(=C(C=C34)Br)O)Br","HEWYVIICKQEYPO-HIONPOMWSA-N",388135,NA,"PDBC06081","682690","Present",NA,NA
+"6082","(8R,9S,13S,14S)-3,6-Dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"estra-1,3,5(10)-trien-3,6-diol-17-one",NA,"CC12CCC3C(C1CCC2=O)CC(C4=C3C=CC(=C4)O)O","HTORTGVWUGQTHQ-QNZOISAHSA-N",150919,NA,"PDBC06082","740029","Present",NA,NA
+"6083","(8R,9S,13S,14S)-3-[[4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl]oxy]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Estra-1,3,5[10]-trien-17-one, 3-[[4,6-bis(1-aziridinyl)-...",NA,"CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)N6CC6)N7CC7","JCBUOSRYPMXDEE-PUFAWVJESA-N",267557,NA,"PDBC06083","106909","Present",NA,NA
+"6084","(8R,9S,13S,14S,16E)-13-Methyl-3-(2-pyrrolidin-1-ylethoxy)-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,13S,14S,16E)-13-Methyl-3-(2-pyrrolidin-1-ylethoxy)-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one",NA,"CC12CCC3C(C1CC(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O)CCC5=C3C=CC(=C5)OCCN6CCCC6","JUBUTZARPJLCEI-GXFRTEOMSA-N",5470421,NA,"PDBC06084","701228","Present",NA,NA
+"6085","(8R,9S,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one",NA,"CC12CCC3C(C1CC(=CC4=CC(=C(C=C4)OC)OC)C2=O)CCC5=C3C=CC(=C5)OC","SZBWKZHLROZHJQ-JMOBTMGKSA-N",5470419,NA,"PDBC06085","701226","Present",NA,NA
+"6086","(8R,9S,13S,14S,16E)-3-Methoxy-13-methyl-16-(pyridin-4-ylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,13S,14S,16E)-3-Methoxy-13-methyl-16-(pyridin-4-ylmethylidene)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one",NA,"CC12CCC3C(C1CC(=CC4=CC=NC=C4)C2=O)CCC5=C3C=CC(=C5)OC","KPRTUBHMORTVPE-XCFFBTTBSA-N",5470444,NA,"PDBC06086","701816","Present",NA,NA
+"6087","(8R,9S,13S,14S,16E)-3-Methoxy-13-methyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8R,9S,13S,14S,16E)-3-Methoxy-13-methyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one",NA,"CC12CCC3C(C1CC(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O)CCC5=C3C=CC(=C5)OC","WZSDMIDMXOYQEZ-LBVVJSNLSA-N",5470418,NA,"PDBC06087","701225","Present",NA,NA
+"6088","(8R,9S,13S,14S,16E,17S)-13-Methyl-16-(pyridin-4-ylmethylidene)-7,8,9,11,12,14,15,17-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-(4'-pyridylmethylene)-1,3,5(10)estratriene- 3,17.beta...",NA,"CC12CCC3C(C1CC(=CC4=CC=NC=C4)C2O)CCC5=C3C=CC(=C5)O","SOWVSBMETYFGLF-XSKIZVDTSA-N",5470876,NA,"PDBC06088","706021","Present",NA,NA
+"6089","(8R,9S,13S,14S,17S)-17-[2-(Dimethylamino)ethoxy]-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"estra-1,3,5(10)-17B[2-(N,N-dimethylamino)-ethoxyl]-2-met...",NA,"CC12CCC3C(C1CCC2OCCN(C)C)CCC4=CC(=C(C=C34)OC)O","UVNARGXNUDJMJN-JIAAILLZSA-N",155812016,NA,"PDBC06089","788054","Present",NA,NA
+"6090","(8R,9S,13S,14S,17S)-17-[2-(Dimethylamino)ethylamino]-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Estra-1,3,5(10)-triene-17beta[2-(N,N-dimethylamino)-ethy...",NA,"CC12CCC3C(C1CCC2NCCN(C)C)CCC4=CC(=C(C=C34)OC)O","NRHNUTNOWPUEOX-JIAAILLZSA-N",155812151,NA,"PDBC06090","788055","Present",NA,NA
+"6091","(8R,9S,13S,14S,17S)-17-[3-(Dimethylamino)propoxy]-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methoxy-estra-1,3,5(10)-trien-17 beta[2-(N,N-dimethyla...",NA,"CC12CCC3C(C1CCC2OCCCN(C)C)CCC4=CC(=C(C=C34)OC)O","PIAGQWIQDZAFDY-JFDOVZFRSA-N",155813544,NA,"PDBC06091","788056","Present",NA,NA
+"6092","(8R,9S,13S,14S,17S)-3,17-Dihydroxy-13-methyl-2-(2,2,2-trifluoroethoxy)-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Trifluoroethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-...",NA,"CC12CCC3C(C1CCC2O)CC(=O)C4=CC(=C(C=C34)OCC(F)(F)F)O","HXKISEUWNSOHQL-XLVSEUFYSA-N",387663,NA,"PDBC06092","681684","Present",NA,NA
+"6093","(8S)-2-Cyclohexyl-5-(1H-indol-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-2-Cyclohexyl-5-(1H-indol-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,"C1CCC(CC1)C2C3=C(CC4N2C(=O)C(NC4=O)CC5=CNC6=CC=CC=C65)C7=CC=CC=C7N3","CWFHEWNGCJWWRW-AYIJWJHJSA-N",397176,NA,"PDBC06093","704581","Present",NA,NA
+"6094","(8S)-2-Cyclohexyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-2-Cyclohexyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,"CC(C)(C)OCC1C(=O)N2C(CC3=C(C2C4CCCCC4)NC5=CC=CC=C35)C(=O)N1","PFBZJJBXQCDSHA-FUHYEJFZSA-N",397174,NA,"PDBC06094","704579","Present",NA,NA
+"6095","(8S)-2-Ethyl-5-(1H-indol-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-2-Ethyl-5-(1H-indol-3-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,"CCC1C2=C(CC3N1C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54)C6=CC=CC=C6N2","VBTVHUMUVXSSRB-HRTMPFAESA-N",397167,NA,"PDBC06095","704572","Present",NA,NA
+"6096","(8S)-2-Ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-2-Ethyl-5-[(2-methylpropan-2-yl)oxymethyl]-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,"CCC1C2=C(CC3N1C(=O)C(NC3=O)COC(C)(C)C)C4=CC=CC=C4N2","OHRKKMFZDUDWQZ-JCYILVPMSA-N",397165,NA,"PDBC06096","704570","Present",NA,NA
+"6097","(8S)-2-Ethyl-5-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-2-Ethyl-5-methyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,"CCC1C2=C(CC3N1C(=O)C(NC3=O)C)C4=CC=CC=C4N2","WTYHSFJWFSZULY-FQXIOZCDSA-N",397161,NA,"PDBC06097","704566","Present",NA,NA
+"6098","(8S)-5-(1H-Indol-3-ylmethyl)-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-5-(1H-Indol-3-ylmethyl)-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,"CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)CC4=CNC5=CC=CC=C54)C6=CC=CC=C6N2","LFLATYJCVQVKIN-VHYCJAOWSA-N",397180,NA,"PDBC06098","704585","Present",NA,NA
+"6099","(8S)-5-(1H-Indol-3-ylmethyl)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-5-(1H-Indol-3-ylmethyl)-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,"C1C2C(=O)NC(C(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC=CC=C5)CC6=CNC7=CC=CC=C76","BUICXYYUEPTJQC-AYIJWJHJSA-N",397171,NA,"PDBC06099","704576","Present",NA,NA
+"6100","(8S)-5-Benzyl-2-ethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-5-Benzyl-2-ethyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,"CCC1C2=C(CC3N1C(=O)C(NC3=O)CC4=CC=CC=C4)C5=CC=CC=C5N2","ODUPYNQIZWDIOB-MHJFOBGBSA-N",397163,NA,"PDBC06100","704568","Present",NA,NA
+"6101","(8S)-5-[(2-Methylpropan-2-yl)oxymethyl]-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-5-[(2-Methylpropan-2-yl)oxymethyl]-2-(2-methylpropyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,"CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)COC(C)(C)C)C4=CC=CC=C4N2","NFTGGKHBTWDPAV-ACBHZAAOSA-N",397178,NA,"PDBC06101","704583","Present",NA,NA
+"6102","(8S)-5-[(2-Methylpropan-2-yl)oxymethyl]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-5-[(2-Methylpropan-2-yl)oxymethyl]-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione",NA,"CC(C)(C)OCC1C(=O)N2C(CC3=C(C2C4=CC=CC=C4)NC5=CC=CC=C35)C(=O)N1","LCKNAPKRNNOXOE-FUHYEJFZSA-N",397169,NA,"PDBC06102","704574","Present",NA,NA
+"6103","(8S)-7-Methyl-1,4-dioxaspiro[4.5]decan-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S)-7-Methyl-1,4-dioxaspiro[4.5]decan-8-ol",NA,"CC1CC2(CCC1O)OCCO2","LCTPUJDUSKCUMZ-MQWKRIRWSA-N",359575,NA,"PDBC06103","620567","Present",NA,NA
+"6104","(8S,9R,10S,13S,14S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9-methylsulfanyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S,9R,10S,13S,14S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-9-methylsulfanyl-2,6,7,8,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthrene-3,11-dione",NA,"CC12CCC(=O)C=C1CCC3C2(C(=O)CC4(C3CCC4(C(=O)CO)O)C)SC","MSEBSCSYBGIIJX-VWCSCAALSA-N",253106,NA,"PDBC06104","75541","Present",NA,NA
+"6105","(8S,9S,10R,11S,13S,14S,17S)-11-Hydroxy-10,13-dimethyl-17-(2-phenyl-1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Androst-4-en-3-one, 11.beta.-hydroxy-17.beta.-(2-phenyl-...",NA,"CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C5=CSC(=N5)C6=CC=CC=C6)C)O","DIDVQQHUMYJCEX-QCZBTCEYSA-N",261360,NA,"PDBC06105","93354","Present",NA,NA
+"6106","(8S,9S,10R,13S,14S)-17-Ethyl-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S,9S,10R,13S,14S)-17-Ethyl-7-hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,17-decahydro-1H-cyclopenta[a]phenanthrene-3,16-dione",NA,"CCC1C(=O)CC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C","RTEFBYKMZREDFG-SYLMZFASSA-N",393654,NA,"PDBC06106","695925","Present",NA,NA
+"6107","(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxamide",NA,"CC12CCC3C(C1CCC2C(=O)NC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F)CCC5=CC(=O)CCC35C","BICFPGJOYMXLLX-WWMZEODYSA-N",384651,NA,"PDBC06107","674694","Present",NA,NA
+"6108","(8S,9S,10R,13S,14S,17S)-17-(2-Amino-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S,9S,10R,13S,14S,17S)-17-(2-Amino-1,3-thiazol-4-yl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",NA,"CC12CCC3C(C1CCC2C4=CSC(=N4)N)CCC5=CC(=O)CCC35C","LBSHCMQCZQSXKN-VABCKDIBSA-N",214262,NA,"PDBC06108","88917","Present",NA,NA
+"6109","(8Z)-3-Ethoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8Z)-3-Ethoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1,3,5-triene",NA,"CCOC1=CC2=C(C=C1)NC2=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-]","BDWZKZLRIUWYJC-KHPPLWFESA-N",2246159,NA,"PDBC06109","698399","Present",NA,NA
+"6110","(8Z)-3-Methoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1(6),2,4-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8Z)-3-Methoxy-8-(2,3,3-trichloro-1-nitroprop-2-enylidene)-7-azabicyclo[4.2.0]octa-1(6),2,4-triene",NA,"COC1=CC2=C(C=C1)NC2=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-]","XEACFALUCMGPET-KTKRTIGZSA-N",5471292,NA,"PDBC06110","710283","Present",NA,NA
+"6111","(8Z)-4-(2-Chlorophenyl)-8-[(2-chlorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8Z)-4-(2-Chlorophenyl)-8-[(2-chlorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-ol",NA,"C1C(=CC2=CC=CC=C2Cl)C3=NC(=O)NC(=C3CO1)C4=CC=CC=C4Cl","YHENNMQREKSCHP-UKTHLTGXSA-N",5469519,NA,"PDBC06111","689287","Present",NA,NA
+"6112","(8Z)-4-(3-Chlorophenyl)-8-[(3-chlorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8Z)-4-(3-Chlorophenyl)-8-[(3-chlorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine",NA,"C1C(=CC2=CC(=CC=C2)Cl)C3=NC(=NC(=C3CO1)C4=CC(=CC=C4)Cl)N","CJHQPXUERTZCAI-VGOFMYFVSA-N",5469514,NA,"PDBC06112","689282","Present",NA,NA
+"6113","(8Z)-4-(4-Bromophenyl)-8-[(4-bromophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8Z)-4-(4-Bromophenyl)-8-[(4-bromophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-ol",NA,"C1C(=CC2=CC=C(C=C2)Br)C3=NC(=O)NC(=C3CO1)C4=CC=C(C=C4)Br","LZEARBPFZUKCGT-NTEUORMPSA-N",5469517,NA,"PDBC06113","689285","Present",NA,NA
+"6114","(8Z)-4-(4-Fluorophenyl)-8-[(4-fluorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8Z)-4-(4-Fluorophenyl)-8-[(4-fluorophenyl)methylene]-5H-pyrano[4,3-d]pyrimidin-2-amine",NA,"C1C(=CC2=CC=C(C=C2)F)C3=NC(=NC(=C3CO1)C4=CC=C(C=C4)F)N","SWXABLOEPGQKLV-NTEUORMPSA-N",5469513,NA,"PDBC06114","689281","Present",NA,NA
+"6115","(8Z)-8-(Nitromethylene)-5H-[1,3]dioxolo[4,5-g]isochromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8Z)-8-(Nitromethylene)-5H-[1,3]dioxolo[4,5-g]isochromene",NA,"C1C2=CC3=C(C=C2C(=C[N+](=O)[O-])CO1)OCO3","DFSFYDOYEHECIY-FPYGCLRLSA-N",3005429,NA,"PDBC06115","699770","Present",NA,NA
+"6116","(8Z)-8-[(Z)-2,3-Dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-3-methoxy-7-azabicyclo[4.2.0]octa-1(6),2,4-triene;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8Z)-8-[(Z)-2,3-Dichloro-1-nitro-3-piperidin-1-ylprop-2-enylidene]-3-methoxy-7-azabicyclo[4.2.0]octa-1(6),2,4-triene;hydrochloride",NA,"COC1=CC2=C(C=C1)NC2=C(C(=C(N3CCCCC3)Cl)Cl)[N+](=O)[O-].Cl","AIJPORABJOMLLB-OTMCRQANSA-N",5471295,NA,"PDBC06116","710285","Present",NA,NA
+"6117","(9,10-Dioxo-9,10-dihydro-2-anthracenyl)methyl 4-(((benzyloxy)carbonyl)amino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9,10-Dioxo-9,10-dihydro-2-anthracenyl)methyl 4-(((benzyloxy)carbonyl)amino)butanoate",NA,"C1=CC=C(C=C1)COC(=O)NCCCC(=O)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","GLSRLQQPDNYBOH-UHFFFAOYSA-N",353872,NA,"PDBC06117","603427","Present",NA,NA
+"6118","(9,10-Dioxoanthracen-2-yl)methyl 3-benzamido-2-hydroxy-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenepropanoic acid, .beta.-(benzoylamino)-.alpha.- hy...",NA,"C1=CC=C(C=C1)C(C(C(=O)OCC2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)O)NC(=O)C5=CC=CC=C5","MHQSGAKVNWJEHS-UHFFFAOYSA-N",361915,NA,"PDBC06118","625350","Present",NA,NA
+"6119","(9,6,7,8,9,10-Hexahydro-indeno[1,2-b]indol-5-yl)-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9,10-Dioxo-5,6,7,8,9,10-hexahydro-indeno[1,2-b]indol-5-...",NA,"C1CC2=C(C(=O)C1)C3=C(N2CC(=O)O)C4=CC=CC=C4C3=O","TVJABHVKADQEEG-UHFFFAOYSA-N",24205928,NA,"PDBC06119","737304","Present",NA,NA
+"6120","(9-Benzoyl-10-methyl-1,3,5,7-tetraphenyl-4-thia-10-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-8-yl)-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-Benzoyl-10-methyl-1,3,5,7-tetraphenyl-4-thia-10-azatricyclo[5.2.1.02,6]deca-2,5,8-trien-8-yl)-phenylmethanone",NA,"CN1C2(C3=C(SC(=C3C1(C(=C2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9","HCMZVDFVBITZPP-UHFFFAOYSA-N",363189,NA,"PDBC06120","627863","Present",NA,NA
+"6121","(9-Benzyl-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-Benzyl-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl) acetate",NA,"CC1=NC2=C(C3=C(N2CC4=CC=CC=C4)C=CC(=C3)OC(=O)C)C(=O)O1","IZZTZWBXIBJROK-UHFFFAOYSA-N",384421,NA,"PDBC06121","674198","Present",NA,NA
+"6122","(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-(3,4,5-trimethoxyphenyl)methanone",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","OTMRFEOAUMEFSY-UHFFFAOYSA-N",394878,NA,"PDBC06122","698969","Present",NA,NA
+"6123","(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-(4-bromophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-(4-bromophenyl)methanone",NA,"C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)C(=O)C5=CC=C(C=C5)Br","YQYVUGHGGUGFFK-UHFFFAOYSA-N",394876,NA,"PDBC06123","698967","Present",NA,NA
+"6124","(9-Chloro-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-yl)(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-Chloro-3,4-dihydro-2H-pyrano[3,2-c]quinolin-5-yl)(phenyl)methanone",NA,"C1CC2=C(C3=C(C=CC(=C3)Cl)N=C2C(=O)C4=CC=CC=C4)OC1","QPRRTBAWMJJAGW-UHFFFAOYSA-N",370217,NA,"PDBC06124","642961","Present",NA,NA
+"6125","(9-Ethylcarbazol-3-yl)-quinolin-5-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-ethyl-9H-carbazol-3-yl)(quinolin-5-yl)methanol",NA,"CCN1C2=C(C=C(C=C2)C(C3=C4C=CC=NC4=CC=C3)O)C5=CC=CC=C51","TZOSKHBHYRMLGA-UHFFFAOYSA-N",151965559,NA,"PDBC06125","780982","Present",NA,NA
+"6126","(9-Formyloxy-2,10-dimethyl-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl) formate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-Formyloxy-2,10-dimethyl-1-heptacyclo[8.6.6.62,9.03,8.011,16.017,22.023,28]octacosa-3,5,7,11,13,15,17,19,21,23,25,27-dodecaenyl) formate",NA,"CC12C3=CC=CC=C3C(C4=CC=CC=C41)(C5(C6=CC=CC=C6C2(C7=CC=CC=C75)OC=O)C)OC=O","OEOHOOLHNQMXTR-UHFFFAOYSA-N",366882,NA,"PDBC06126","635925","Present",NA,NA
+"6127","(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)-acetic acid",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(N3CC(=O)O)C=CC=C4O","UIWUTXGOPXEJDI-UHFFFAOYSA-N",24205927,NA,"PDBC06127","737303","Present",NA,NA
+"6128","(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-Hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)acetic aci...",NA,"COC(=O)CN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O","SIUJOUSXCOFKNI-UHFFFAOYSA-N",24205567,NA,"PDBC06128","736171","Present",NA,NA
+"6129","(9-Methoxy-11H-indeno[1,2-c]quinolin-6-yl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-Methoxy-11H-indeno[1,2-c]quinolin-6-yl)hydrazine",NA,"COC1=CC2=C(C=C1)C3=C(C2)C4=CC=CC=C4N=C3NN","BCNAWKXETTYPNX-UHFFFAOYSA-N",24205577,NA,"PDBC06129","736186","Present",NA,NA
+"6130","(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl butanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Butanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]","DACPJVDRGOMXKV-UHFFFAOYSA-N",367399,NA,"PDBC06130","637125","Present",NA,NA
+"6131","(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl heptanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Heptanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CCCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]","RLTLFYOPSARSSA-UHFFFAOYSA-N",367405,NA,"PDBC06131","637128","Present",NA,NA
+"6132","(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl hexanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Hexanoyloxy)methyl]-9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CCCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]","SAXWMWPHBFHFIA-UHFFFAOYSA-N",367403,NA,"PDBC06132","637127","Present",NA,NA
+"6133","(9-Methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)methyl pentanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-5,11-dimethyl-2-[(pentanoyloxy)methyl]-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CCCCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]","SKRSITQAOQRHBB-UHFFFAOYSA-N",367401,NA,"PDBC06133","637126","Present",NA,NA
+"6134","(9Bs)-2-acetyl-3,7,9-trihydroxy-6-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-8,9b-dimethyldibenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"( S,E)-2-acetyl-6-(3-(4-methoxyphenyl)acryloyl)-3,7,9-tr...",NA,"CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C=CC4=CC=C(C=C4)OC)O","ZRVAGITWKJTFBL-GYAHLDOBSA-N",155813497,NA,"PDBC06134","782857","Present",NA,NA
+"6135","(9Bs)-2-acetyl-6-[(E)-3-(2,6-dichlorophenyl)prop-2-enoyl]-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S,E)-2-acetyl-6-(3-(2,6-dichlorophenyl)-3,7,9-trihydrox...",NA,"CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C=CC4=C(C=CC=C4Cl)Cl)O","ZGWMKJUBMPNNGR-LAUDKDLHSA-N",155810357,NA,"PDBC06135","782854","Present",NA,NA
+"6136","(9Bs)-2-acetyl-6-[(E)-3-(3,5-dichlorophenyl)prop-2-enoyl]-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"( S,E)-2-acetyl-6-(3-(3,5-dichlorophenyl)acryloyl)-3,7,9...",NA,"CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C=CC4=CC(=CC(=C4)Cl)Cl)O","PFLDFIVHROLKQI-YQRKEEQESA-N",155808910,NA,"PDBC06136","782856","Present",NA,NA
+"6137","(9Bs)-2-acetyl-6-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]prop-2-enoyl]-3,7,9-trihydroxy-8,9b-dimethyldibenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S,E)-2-acetyl-6-(3-(3,5-bis(trifluoromethyl)phenyl)acry...",NA,"CC1=C(C(=C2C(=C1O)C3(C(=CC(=C(C3=O)C(=O)C)O)O2)C)C(=O)C=CC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)O","RTCYXTDJFMHZGV-YQRKEEQESA-N",155814871,NA,"PDBC06137","782855","Present",NA,NA
+"6138","(9E)-5-(3,4,5-Trimethoxyphenyl)-9-[(3,4,5-trimethoxyphenyl)methylidene]-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-9-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trimethoxyp...",NA,"COC1=CC(=CC(=C1OC)OC)C=C2CCCC3=C2N=C4N(C3C5=CC(=C(C(=C5)OC)OC)OC)N=CS4","NERPHBVLDNJKRW-LICLKQGHSA-N",155805284,NA,"PDBC06138","776745","Present",NA,NA
+"6139","(9E)-9-Benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-6,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9E)-9-Benzylidene-3-methyl-2-methylsulfanyl-5-phenyl-6,7,8,10-tetrahydro-5H-pyrimido[4,5-b]quinolin-4-one",NA,"CN1C(=O)C2=C(NC3=C(C2C4=CC=CC=C4)CCCC3=CC5=CC=CC=C5)N=C1SC","AVBCXQAQRNEOFM-KNTRCKAVSA-N",60147558,NA,"PDBC06139","751623","Present",NA,NA
+"6140","(9H-Fluoren-9-yl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC67714",NA,"C1=CC=C(C=C1)[P+](C2C3=CC=CC=C3C4=CC=CC=C24)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","BHNPKGAMAZKCCJ-UHFFFAOYSA-M",18702719,NA,"PDBC06140","67714","Present",NA,NA
+"6141","(9R)-(+)-Methyldihydrofluroesceylphenylethylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R)-(+)-Methyldihydrofluroesceylphenylethylamide",NA,"CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C3C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC","WAWHGWCVKDJIIY-VZPMCMERSA-N",6711880,NA,"PDBC06141","645659","Present",NA,NA
+"6142","(9R)-4-Bromo-6-methoxy-13-methyl-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R)-4-Bromo-6-methoxy-13-methyl-8-oxa-13-azatetracyclo[10.3.1.01,9.02,7]hexadeca-2(7),3,5-trien-10-one",NA,"CN1CCC23CC1CC(=O)C2OC4=C3C=C(C=C4OC)Br","GRTJJLDQBHAIRY-NWWFGRIYSA-N",398847,NA,"PDBC06142","708983","Present",NA,NA
+"6143","(9R)-9,10-Dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R)-9,10-Dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbonitrile",NA,"CC12CC(C(C(=O)N1C)C#N)C3=CC=CC=C3O2","PVRJRIAYVFBQCU-QIMFLAQGSA-N",397573,NA,"PDBC06143","705893","Present",NA,NA
+"6144","(9R)-9,10-Dimethyl-11-oxo-N-pyridin-2-yl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R)-9,10-Dimethyl-11-oxo-N-pyridin-2-yl-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,"CC12CC(C(C(=O)N1C)C(=O)NC3=CC=CC=N3)C4=CC=CC=C4O2","FBASSRSUKFUAQB-NSRCDFIJSA-N",397578,NA,"PDBC06144","705898","Present",NA,NA
+"6145","(9R)-9-Methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R)-9-Methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carbonitrile",NA,"CC12CC(C(C(=O)N1)C#N)C3=CC=CC=C3O2","LEHJKPZIVDYYAU-SRHKJQAYSA-N",395968,NA,"PDBC06145","701092","Present",NA,NA
+"6146","(9R)-9-Methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R)-9-Methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,"CC12CC(C(C(=O)N1)C(=O)N)C3=CC=CC=C3O2","MKACOZKGXOEJCF-QDPIBXHXSA-N",395966,NA,"PDBC06146","701090","Present",NA,NA
+"6147","(9R)-N-(1-Adamantyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R)-N-(1-Adamantyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,"CC12CC(C(C(=O)N1)C(=O)NC34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6O2","RHWLBKOVCMUYOM-AURXRZFLSA-N",397579,NA,"PDBC06147","705899","Present",NA,NA
+"6148","(9R)-N-[4-(1-Adamantyl)-1,3-thiazol-2-yl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R)-N-[4-(1-Adamantyl)-1,3-thiazol-2-yl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,"CC12CC(C(C(=O)N1)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)C7=CC=CC=C7O2","QUTISXKGYLCYHB-HIRMIEAISA-N",395969,NA,"PDBC06148","701093","Present",NA,NA
+"6149","(9R,15R)-1H-Pyrrole-2-carboxylic acid (6a-methoxy-2-oxo-hexahydro-furo[2,3-d]imidazol-5-ylmethyl)-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R,11R,15R)-1H-Pyrrole-2-carboxylic acid (6a-methoxy-2-...",NA,"COC12CC(OC1NC(=O)N2)CNC(=O)C3=CC=CN3","IZKNAUHOOGPZGV-NYRNMGCKSA-N",405753,NA,"PDBC06149","723329","Present",NA,NA
+"6150","(9R,15R)-4,5-Dibromo-1H-pyrrole-2-carboxylic acid (6a-methoxy-2-oxo-hexahydro-furo[2,3-d]imidazol-5-ylmethyl)-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R,11R,15R)-4,5-Dibromo-1H-pyrrole-2-carboxylic acid (6...",NA,"COC12CC(OC1NC(=O)N2)CNC(=O)C3=CC(=C(N3)Br)Br","BDWCNTZETWSRFF-DQMYXGJXSA-N",405754,NA,"PDBC06150","723330","Present",NA,NA
+"6151","(9S)-(-)-Methyldihydrofluoresceylphenylethylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9S)-(-)-Methyldihydrofluoresceylphenylethylamide",NA,"CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2C3C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)OC","WAWHGWCVKDJIIY-QGRUVSRESA-N",6711879,NA,"PDBC06151","645657","Present",NA,NA
+"6152","(9S)-5-Methoxy-9-methyl-10beta-(phenylamino)-9,10-dihydrophenanthrene-9alpha-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9s,10s)-5-Methoxy-9-methyl-10-(phenylamino)-9,10-dihydrophenanthren-9-ol",NA,"CC1(C(C2=CC=CC=C2C3=C1C=CC=C3OC)NC4=CC=CC=C4)O","ZIXNGCFHBHNXIY-VXKWHMMOSA-N",401248,NA,"PDBC06152","714456","Present",NA,NA
+"6153","(9S)-9-Acetyl-7-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-O-[3-O-93-Amino-2,3,6-trideoxy-.alpha.-L.lyxo-hexopyra...",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)C)O)N)O.Cl","SKRZBWIPHSSTDG-LBPHQPJGSA-N",11970066,NA,"PDBC06153","659947","Present",NA,NA
+"6154","(9S,10S)-1,5-Dichloro-9,10-dithiophen-2-ylanthracene-9,10-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9s,10s)-1,5-Dichloro-9,10-dithiophen-2-yl-9,10-dihydroanthracene-9,10-diol",NA,"C1=CC2=C(C(=C1)Cl)C(C3=C(C2(C4=CC=CS4)O)C(=CC=C3)Cl)(C5=CC=CS5)O","CQLPZIXZXBMJOU-FGZHOGPDSA-N",402490,NA,"PDBC06154","716516","Present",NA,NA
+"6155","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-(thiophen-2-ylmethylidene)-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-(thiophen-2-ylmethylidene)-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,"CC1=NN(C2(C1=CC3=CC=CS3)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","WXXKSQXELNHRFO-UYRXBGFRSA-N",5471784,NA,"PDBC06155","713693","Present",NA,NA
+"6156","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-[(E)-3-phenylprop-2-enylidene]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-9-[(E)-3-phenylprop-2-enylidene]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,"CC1=NN(C2(C1=CC=CC3=CC=CC=C3)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","SFQDPDHBXHOTMA-NRSKTENOSA-N",5471757,NA,"PDBC06156","713655","Present",NA,NA
+"6157","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(2-hydroxyphenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(2-hydroxyphenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,"CC1=NN(C2(C1=CC3=CC=CC=C3O)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","FMHXPGGVIIJCAS-MOSHPQCFSA-N",135436212,NA,"PDBC06157","713656","Present",NA,NA
+"6158","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,"CC1=NN(C2(C1=CC3=CC=C(C=C3)Cl)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","MYXDWVYLDKVBPZ-BKUYFWCQSA-N",5471761,NA,"PDBC06158","713659","Present",NA,NA
+"6159","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-hydroxy-3-methoxyphenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[(4-hydroxy-3-methoxyphenyl)methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,"CC1=NN(C2(C1=CC3=CC(=C(C=C3)O)OC)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","VJBIWTZFCORICZ-NDENLUEZSA-N",135436213,NA,"PDBC06159","713657","Present",NA,NA
+"6160","(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[[4-(dimethylamino)phenyl]methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9Z)-4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-9-[[4-(dimethylamino)phenyl]methylidene]-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,"CC1=NN(C2(C1=CC3=CC=C(C=C3)N(C)C)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","DWJGTLCWKUBNEV-HAHDFKILSA-N",5471760,NA,"PDBC06160","713658","Present",NA,NA
+"6161","(9Z)-4-(1,3-Benzothiazol-2-yl)-9-benzylidene-6-(3-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9Z)-4-(1,3-Benzothiazol-2-yl)-9-benzylidene-6-(3-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,"CC1=NN(C2(C1=CC3=CC=CC=C3)N(C(=O)CS2)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)Cl","TUUCZONXHNBMPP-STZFKDTASA-N",5471756,NA,"PDBC06161","713654","Present",NA,NA
+"6162","(?)-Aegyptinone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(?)-Aegyptinone B",NA,"CC1=C2C(=CC3=C1CCCC3(C)C)C(=C(C(=O)C2=O)C(C)CO)O","HPDJDMAPXQNONF-JTQLQIEISA-N",389887,NA,"PDBC06162","686516","Present",NA,NA
+"6163","(Acetyloxy)(1-pyrenyl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Acetyloxy)(1-pyrenyl)methyl acetate",NA,"CC(=O)OC(C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)OC(=O)C","BNKITCXZLUHIAB-UHFFFAOYSA-N",380625,NA,"PDBC06163","666300","Present",NA,NA
+"6164","(Acetyloxy)(2-((acetyloxy)methyl)-3-pyridinyl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Acetyloxy)(2-((acetyloxy)methyl)-3-pyridinyl)methyl acetate",NA,"CC(=O)OCC1=C(C=CC=N1)C(OC(=O)C)OC(=O)C","ROVDLZAVUAOSJT-UHFFFAOYSA-N",371017,NA,"PDBC06164","644879","Present",NA,NA
+"6165","(Acetyloxy)(3-formyl-1H-indol-1-yl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Acetyloxy)(3-formyl-1H-indol-1-yl)methyl acetate",NA,"CC(=O)OC(N1C=C(C2=CC=CC=C21)C=O)OC(=O)C","OLYARYBJYDYLPF-UHFFFAOYSA-N",382169,NA,"PDBC06165","669628","Present",NA,NA
+"6166","(Acetyloxy)(9-anthryl)methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Acetyloxy)(9-anthryl)methyl acetate",NA,"CC(=O)OC(C1=C2C=CC=CC2=CC3=CC=CC=C31)OC(=O)C","BSHMOJFTLGSXPF-UHFFFAOYSA-N",380624,NA,"PDBC06166","666299","Present",NA,NA
+"6167","(Alphae)-2-Oxo-3-[2-(2-pyridinyl)ethyl]-2,3-dihydrooxazolo[4,5-b]pyridine-6-acrylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-[2-oxo-3-[2-(2-pyridyl)ethyl]oxazolo[4,5-b]pyridin-6-yl]prop-2-enoate",NA,"COC(=O)C=CC1=CC2=C(N=C1)N(C(=O)O2)CCC3=CC=CC=N3","XRJADBLFAXZPML-AATRIKPKSA-N",5470017,NA,"PDBC06167","696464","Present",NA,NA
+"6168","(Alphae)-beta-(2-Thienyl)-2'-chloroacrylophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Alphae)-beta-(2-Thienyl)-2'-chloroacrylophenone",NA,"C1=CC=C(C(=C1)C(=O)C=CC2=CC=CS2)Cl","WZLQYYBWFBTDSA-BQYQJAHWSA-N",5872253,NA,"PDBC06168","700209","Present",NA,NA
+"6169","(Alphar,3'S)-alpha-Phenylamino-3'-(methoxycarbonyl)spiro[9H-fluorene-9,2'-thiirane]-3'-acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2'S)-2'-[(1R)-1-anilino-2-methoxy-2-oxoethyl]spiro[fluorene-9,3'-thiirane]-2'-carboxylate",NA,"COC(=O)C(C1(C2(S1)C3=CC=CC=C3C4=CC=CC=C24)C(=O)OC)NC5=CC=CC=C5","DBWXNWXFDZYENY-BWKNWUBXSA-N",398029,NA,"PDBC06169","707102","Present",NA,NA
+"6170","(Alphar,betaS)-beta-Methoxy-alpha,N-dimethylbenzeneethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Alphar,betaS)-beta-Methoxy-alpha,N-dimethylbenzeneethanamine",NA,"CC(C(C1=CC=CC=C1)OC)NC","DOVSRSGMFOLJSK-MWLCHTKSSA-N",6711303,NA,"PDBC06170","617172","Present",NA,NA
+"6171","(Alphas)-alpha-Amino-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexan-1alpha-yl]benzeneacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-2-Amino-N-methyl-2-phenyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide",NA,"CN(C1CCCCC1N2CCCC2)C(=O)C(C3=CC=CC=C3)N","WTLHJSNHSYNTKJ-BZSNNMDCSA-N",398107,NA,"PDBC06171","707471","Present",NA,NA
+"6172","(Alphas)-alpha-tert-Butoxycarbonylamino-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexan-1alpha-yl]benzeneacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[(1S)-2-[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-2-oxo-1-phenylethyl]carbamate",NA,"CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)N(C)C2CCCCC2N3CCCC3","YPODCXIBXHQCBP-ACRUOGEOSA-N",6712728,NA,"PDBC06172","707470","Present",NA,NA
+"6173","(Alphas,2S)-alpha-(1-Naphthylcarbonyloxy)-2-methyloxirane-2alpha-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] naphthalene-1-carboxylate",NA,"CC1(CO1)C(C(=O)N)OC(=O)C2=CC=CC3=CC=CC=C32","WFELRYQTJNDKES-CJNGLKHVSA-N",10379181,NA,"PDBC06173","727014","Present",NA,NA
+"6174","(Alphas,2S)-alpha-(Benzoyloxy)-2-methyloxirane-2alpha-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] benzoate",NA,"CC1(CO1)C(C(=O)N)OC(=O)C2=CC=CC=C2","MRCVTUPGHAXZLB-SKDRFNHKSA-N",24203161,NA,"PDBC06174","727016","Present",NA,NA
+"6175","(Alphas,5S)-alpha-amino-3-bromo-4,5-dihydro-5-isoxazole acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LDDHTAJMMDSEME-OKKQSCSOSA-N///(2R)-2-Amino-2-[(5S)-3-bromo-4,5-dihydro-1,2-oxazol-5-yl]acetic acid",NA,"C1C(ON=C1Br)C(C(=O)O)N","LDDHTAJMMDSEME-OKKQSCSOSA-N",6712634,NA,"PDBC06175","702655///702656","Present",NA,NA
+"6176","(Alphaz,2R,3S)-1-Tosyl-3-methylaziridine-2-acrylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Alphaz,2R,3S)-1-Tosyl-3-methylaziridine-2-acrylic acid methyl ester",NA,"CC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C=CC(=O)OC","CCBZBLUNHZKKAA-MBGNOEIWSA-N",10891754,NA,"PDBC06176","664248","Present",NA,NA
+"6177","(Alphaz,2S,3S)-1-Tosyl-3-methylaziridine-2-acrylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Alphaz,2S,3S)-1-Tosyl-3-methylaziridine-2-acrylic acid methyl ester",NA,"CC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C=CC(=O)OC","CCBZBLUNHZKKAA-OQHUYWJDSA-N",11970081,NA,"PDBC06177","664250","Present",NA,NA
+"6178","(Aminomethyl-ethyl-methyl-silyl)methanamine; dichloroplatinum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Aminomethyl-ethyl-methyl-silyl)methanamine; dichloroplatinum",NA,NA,NA,NA,NA,"PDBC06178","625299","Present",NA,NA
+"6179","(Aminomethyl-ethyl-methyl-silyl)methanamine; tetrachloroplatinum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Aminomethyl-ethyl-methyl-silyl)methanamine; tetrachloroplatinum",NA,NA,NA,NA,NA,"PDBC06179","625298","Present",NA,NA
+"6180","(Arylindolyl)maleimide deriv. 27",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767268",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC=N5)C","XGISVNPAZQTTIQ-UHFFFAOYSA-N",5327669,NA,"PDBC06180","767268","Present",NA,NA
+"6181","(Benzo[1,3]dioxol-5-ylmethylene)-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(benzo[1,3]dioxol-5-ylmethylene-hydrazinocarbonylmethyls...",NA,"C1OC2=C(O1)C=C(C=C2)C=NNC(=O)CSCC(=O)NN=CC3=CC4=C(C=C3)OCO4","JCCVAGCAWXISOI-KVJLFNRQSA-N",9572691,NA,"PDBC06181","724343","Present",NA,NA
+"6182","(Benzylamino)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Benzylamino)urea",NA,"C1=CC=C(C=C1)CNNC(=O)N","YEPJSQACJGPJLA-UHFFFAOYSA-N",243031,NA,"PDBC06182","52224","Present",NA,NA
+"6183","(Biphenyl-2-ylmethyl)propanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC94914",NA,"C1=CC=C(C=C1)C2=CC=CC=C2CC(C(=O)O)C(=O)O","NRIDIKKHBOBNRS-UHFFFAOYSA-N",261865,NA,"PDBC06183","94914","Present",NA,NA
+"6184","(Bipyridyl)dibenzyltindi(isothiocyanate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Bipyridyl)dibenzyltindi(isothiocyanate)",NA,NA,NA,NA,NA,"PDBC06184","695418","Present",NA,NA
+"6185","(Bipyridyl)dibenzyltindichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Bipyridyl)dibenzyltindichloride",NA,NA,NA,NA,NA,"PDBC06185","695416","Present",NA,NA
+"6186","(Bis(2-methyl-2-propenyl)amino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM500536107",NA,"CC(=C)CN(CC#N)CC(=C)C","HQOGSDQFTKUNLW-UHFFFAOYSA-N",246343,NA,"PDBC06186","59288","Present",NA,NA
+"6187","(Bis-carboxymethyl-amino)-phenyl-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl(2,2',2''-nitrilotriacetic acid)",NA,"C1=CC=C(C=C1)C(C(=O)O)N(CC(=O)O)CC(=O)O","ANCKYOCWKHXFAH-UHFFFAOYSA-N",394573,NA,"PDBC06187","698142","Present",NA,NA
+"6188","(Boc-Cys-OH)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Boc-Cys-OH)",NA,"CC(C)(C)OC(=O)NC(CSSCC(C(=O)O)NC(=O)OC(C)(C)C)C(=O)O","MHDQAZHYHAOTKR-UHFFFAOYSA-N",294899,NA,"PDBC06188","668581","Present",NA,NA
+"6189","(Chinoline-8-olato)dicarbonyliridium(I)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Chinoline-8-olato)dicarbonyliridium(I)",NA,"[C-]#[O+].[C-]#[O+].C1=CC2=C(C(=C1)[O-])N=CC=C2.[Ir]","VMNAZNIKDQTSNA-UHFFFAOYSA-M",6711629,NA,"PDBC06189","632879","Present",NA,NA
+"6190","(Dimethyl(vinyl)silyl)methyl 2-cyano-5-phenyl-2,4-pentadienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Dimethyl(vinyl)silyl)methyl 2-cyano-5-phenyl-2,4-pentadienoate",NA,"C[Si](C)(COC(=O)C(=CC=CC1=CC=CC=C1)C#N)C=C","RNQRADIVJDJMQR-USFYMYEYSA-N",5848274,NA,"PDBC06190","634743","Present",NA,NA
+"6191","(Dimethylamino)ethyl p-aminobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Dimethylamino)ethyl p-aminobenzoate",NA,"CN(C)CCOC(=O)C1=CC=C(C=C1)N","MXBCQLLLJGRMJI-UHFFFAOYSA-N",24782,NA,"PDBC06191","25247","Present",NA,NA
+"6192","(E And Z) 1,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-2-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E and Z) 1,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-2-...",NA,"CC(C)(C(CCC(=CCBr)CBr)Br)Cl.CC(C)(C(CCC(=CCBr)CBr)Br)Cl","MRPOAJWLGMYAIF-OJEMXQENSA-N",5467856,NA,"PDBC06192","659557","Present",NA,NA
+"6193","(E And Z) 6-Bromo-3-bromomethyl-1,7-dichloro-7-methyl-2-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E and Z) 6-Bromo-3-bromomethyl-1,7-dichloro-7-methyl-2-...",NA,"CC(C)(C(CCC(=CCCl)CBr)Br)Cl.CC(C)(C(CCC(=CCCl)CBr)Br)Cl","NTAJUKNNPDRPBE-OJEMXQENSA-N",5467859,NA,"PDBC06193","659558","Present",NA,NA
+"6194","(E) 3,4,5-Trimethoxy-4'-methylstilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E) 3,4,5-Trimethoxy-4'-methylstilbene",NA,"CC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","YSJFPRSDNPCGBF-MDZDMXLPSA-N",5388776,NA,"PDBC06194","638494","Present",NA,NA
+"6195","(E) 4-Acetoxy-3,4',5-trimethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E) 4-Acetoxy-3,4',5-trimethoxystilbene",NA,"CC(=O)OC1=C(C=C(C=C1OC)C=CC2=CC=C(C=C2)OC)OC","GDHFPJWOVNLKQP-AATRIKPKSA-N",5388775,NA,"PDBC06195","638493","Present",NA,NA
+"6196","(E)-(1-Methyl-1H-imidazole-2-yl)-3-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-(1-Methyl-1H-imidazole-2-yl)-3-phenylprop-2-en-1-one",NA,"CN1C=CN=C1C(=O)C=CC2=CC=CC=C2","SFIPRXXKDJLCIP-BQYQJAHWSA-N",13566759,NA,"PDBC06196","743049","Present",NA,NA
+"6197","(E)-(2-(Hydroxymethyl)-5-oxo-4-(4-(trifluoromethyl)benzylidene)tetrahydrofuran-2-yl)methyl 2-propylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-(2-(hydroxymethyl)-5-oxo-4-(4-(trifluoromethyl)benzy...",NA,"CCCC(CCC)C(=O)OCC1(CC(=CC2=CC=C(C=C2)C(F)(F)F)C(=O)O1)CO","BJUMSBYSPRWYAF-GZTJUZNOSA-N",25053461,NA,"PDBC06197","749714","Present",NA,NA
+"6198","(E)-(2-Pyridyl)(4-methoxyphenyl) ketone (2-pyridyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(4-Methoxyphenyl)-pyridin-2-ylmethylidene]amino]pyridin-2-amine",NA,"COC1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3","WISOJXSGCJIHCX-RELWKKBWSA-N",9630043,NA,"PDBC06198","693622","Present",NA,NA
+"6199","(E)-(2-Pyrimidinyl)phenyl ketone (2-pyridyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[Phenyl(pyrimidin-2-yl)methylidene]amino]pyridin-2-amine",NA,"C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=NC=CC=N3","CZVLTCSZUVREJN-QNGOZBTKSA-N",6289386,NA,"PDBC06199","693625","Present",NA,NA
+"6200","(E)-(3-Acetoxy-3-cyano-1,1-dimethyl-propyl)-[(3-acetoxy-3-cyano-1,1-dimethyl-propyl)-oxido-iminio]-oxido-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-(4-Acetyloxy-4-cyano-2-methylbutan-2-yl)-[(4-acetyloxy-4-cyano-2-methylbutan-2-yl)-oxidoazaniumylidene]-oxidoazanium",NA,"CC(=O)OC(CC(C)(C)[N+](=[N+](C(C)(C)CC(C#N)OC(=O)C)[O-])[O-])C#N","SPALPLVMFXBGCP-FMQUCBEESA-N",135493991,NA,"PDBC06200","688529","Present",NA,NA
+"6201","(E)-(3-Bromophenyl)-pyrrolidin-1-yl-diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-(3-Bromophenyl)-pyrrolidin-1-yl-diazene",NA,"C1CCN(C1)N=NC2=CC(=CC=C2)Br","RLMAGAFYARQADS-UHFFFAOYSA-N",390402,NA,"PDBC06201","687756","Present",NA,NA
+"6202","(E)-(3-Cyano-3-hydroxy-1,1-dimethyl-propyl)-[(3-cyano-3-hydroxy-1,1-dimethyl-propyl)-oxido-iminio]-oxido-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-(4-Cyano-4-hydroxy-2-methylbutan-2-yl)-[(4-cyano-4-hydroxy-2-methylbutan-2-yl)-oxidoazaniumylidene]-oxidoazanium",NA,"CC(C)(CC(C#N)O)[N+](=[N+](C(C)(C)CC(C#N)O)[O-])[O-]","ZXDZGTSSYWKDLT-FOCLMDBBSA-N",135493992,NA,"PDBC06202","688530","Present",NA,NA
+"6203","(E)-(4-(4-Fluorobenzylidene)-2-(hydroxymethyl)-5-oxotetrahydrofuran-2-yl)methyl 2-propylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-(4-(4-fluorobenzylidene)-2-(hydroxymethyl)-5-oxotetr...",NA,"CCCC(CCC)C(=O)OCC1(CC(=CC2=CC=C(C=C2)F)C(=O)O1)CO","JOCWHXZDPSIDDS-GZTJUZNOSA-N",25053525,NA,"PDBC06203","749713","Present",NA,NA
+"6204","(E)-(4-Phenylphenyl)-pyrrolidin-1-yl-diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(e)-Biphenyl-4-yldiazenyl]pyrrolidine",NA,"C1CCN(C1)N=NC2=CC=C(C=C2)C3=CC=CC=C3","MRYPNJVMVATAJI-UHFFFAOYSA-N",390399,NA,"PDBC06204","687753","Present",NA,NA
+"6205","(E)-1,1,1-Trifluoro-2-hydroxy-2-(trifluoromethyl)oct-5-en-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1,1,1-Trifluoro-2-hydroxy-2-(trifluoromethyl)oct-5-en-4-one",NA,"CCC=CC(=O)CC(C(F)(F)F)(C(F)(F)F)O","KAEJKTQUZNOPEC-ONEGZZNKSA-N",5908945,NA,"PDBC06205","664270","Present",NA,NA
+"6206","(E)-1,1,1-Trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxyanilino)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1,1,1-Trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methoxyanilino)but-3-en-2-one",NA,"COC1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)F)C=CC(=O)C(F)(F)F","OYICBQFTFJTRHE-ZHACJKMWSA-N",24205123,NA,"PDBC06206","734383","Present",NA,NA
+"6207","(E)-1,1,1-Trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1,1,1-Trifluoro-4-(N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)but-3-en-2-one",NA,"C1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)F)C=CC(=O)C(F)(F)F","MNCXUMVMZMFFST-ZHACJKMWSA-N",24204935,NA,"PDBC06207","733480","Present",NA,NA
+"6208","(E)-1,3-Bis(2,4-dichlorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1,3-Bis(2,4-dichlorophenyl)prop-2-en-1-one",NA,"C1=CC(=C(C=C1Cl)Cl)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","GLTVNVIHTHMZTN-QHHAFSJGSA-N",6285114,NA,"PDBC06208","733135","Present",NA,NA
+"6209","(E)-1,3-Bis(2-chlorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1,3-Bis(2-chlorophenyl)prop-2-en-1-one",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2Cl)Cl","HTFGZLAHCFWVMO-MDZDMXLPSA-N",5388429,NA,"PDBC06209","635964","Present",NA,NA
+"6210","(E)-1,3-Bis[8-hydroxy-2-methyl-7-(morpholin-4-ylmethyl)quinolin-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1,3-bis[8-hydroxy-2-methyl-7-(4-morpholi...",NA,"CC1=NC2=C(C(=CC(=C2C=C1)C=CC(=O)C3=C4C=CC(=NC4=C(C(=C3)CN5CCOCC5)O)C)CN6CCOCC6)O","JWGAJBKJDQABJN-VMPITWQZSA-N",155807229,NA,"PDBC06210","781671","Present",NA,NA
+"6211","(E)-1,3-Bis[8-hydroxy-7-(morpholin-4-ylmethyl)quinolin-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1,3-bis[8-hydroxy-7-(4-morpholinylmethyl...",NA,"C1COCCN1CC2=CC(=C3C=CC=NC3=C2O)C=CC(=O)C4=C5C=CC=NC5=C(C(=C4)CN6CCOCC6)O","DZBALAFPGDPONQ-AATRIKPKSA-N",155808951,NA,"PDBC06211","781668","Present",NA,NA
+"6212","(E)-1,3-Diphenyl-2-(piperidin-1-ylmethyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1,3-Diphenyl-2-(piperidin-1-ylmethyl)prop-2-en-1-one",NA,"C1CCN(CC1)CC(=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3","UBMWIWOZOGGSGI-CAPFRKAQSA-N",6147837,NA,"PDBC06212","109154","Present",NA,NA
+"6213","(E)-1,4-Dipyrrolidin-1-ylbut-2-ene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1,4-Dipyrrolidin-1-ylbut-2-ene-1,4-dione",NA,"C1CCN(C1)C(=O)C=CC(=O)N2CCCC2","MZYNGCZLDUSQKA-AATRIKPKSA-N",5469016,NA,"PDBC06213","681664","Present",NA,NA
+"6214","(E)-1,6-Dibromo-7-chloro-3,7-dimethyloct-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1,6-Dibromo-7-chloro-3,7-dimethyloct-2-ene",NA,"CC(=CCBr)CCC(C(C)(C)Cl)Br","GWTGHZSYBJZTTD-SOFGYWHQSA-N",5467632,NA,"PDBC06214","657135","Present",NA,NA
+"6215","(E)-1,7-Tribromo-3,7-dimethyl-2-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1,6,7-Tribromo-3,7-dimethyl-2-octene",NA,"CC(=CCBr)CCC(C(C)(C)Br)Br","PXKOESLWITWTLF-SOFGYWHQSA-N",5467862,NA,"PDBC06215","659559","Present",NA,NA
+"6216","(E)-1-(1,2-Dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(1,2-Dihydroacenaphthylen-5-yl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,"C1CC2=CC=C(C3=CC=CC1=C23)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]","ADCCWUFZQPMPOJ-AWNIVKPZSA-N",6167610,NA,"PDBC06216","746353","Present",NA,NA
+"6217","(E)-1-(1,3-Benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(1,3-Benzodioxol-5-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one",NA,"C1OC2=C(O1)C=C(C=C2)C(=O)C=CC3=CC=C(C=C3)O","ZPMFJDRYWAXBPS-XVNBXDOJSA-N",5468260,NA,"PDBC06217","666763","Present",NA,NA
+"6218","(E)-1-(1,3-Benzodioxol-5-yl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(2-methoxy-5-(3,4,5-t...",NA,"COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC4=C(C=C3)OCO4","HHDHXVJTUINMGH-VMPITWQZSA-N",102593084,NA,"PDBC06218","777187","Present",NA,NA
+"6219","(E)-1-(1,3-Benzodioxol-5-yl)-3-[2-methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(2-methoxy-5-(1-(3,4,...",NA,"COC1=C(C=C(C=C1)C(=C)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC4=C(C=C3)OCO4","LYZUIPPHPXXKHZ-RMKNXTFCSA-N",155809815,NA,"PDBC06219","780198","Present",NA,NA
+"6220","(E)-1-(1H-Benzimidazol-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-(2-benzimidazolyl)-3-(4-nitrophenyl)-",NA,"C1=CC=C2C(=C1)NC(=N2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]","SVCFXEJYYFCQDC-JXMROGBWSA-N",5469981,NA,"PDBC06220","695164","Present",NA,NA
+"6221","(E)-1-(2,4-Dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2,4-Dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=C(C=C1)C(=O)C=CC2=C(C=C(C=C2OC)OC)OC)OC","PIXBMGAQMUKHDT-CMDGGOBGSA-N",16753966,NA,"PDBC06221","751956","Present",NA,NA
+"6222","(E)-1-(2,4-Dimethoxyphenyl)-3-(2-fluoro-3,4-dihydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2,4-Dimethoxyphenyl)-3-(2-fluoro-3,4-dihydroxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=C(C=C1)C(=O)C=CC2=C(C(=C(C=C2)O)O)F)OC","GRGRHLRFJBTMHR-XVNBXDOJSA-N",5471283,NA,"PDBC06222","710267","Present",NA,NA
+"6223","(E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile",NA,"[C-]#[N+]C=CC1=C(C=CC(=C1)O)O","ABVUUDRCDTZFOJ-SNAWJCMRSA-N",5388136,NA,"PDBC06223","632129","Present",NA,NA
+"6224","(E)-1-(2,5-Dimethoxyphenyl)-3-(2-fluoro-4,5-dihydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2,5-Dimethoxyphenyl)-3-(2-fluoro-4,5-dihydroxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=C(C=C1)OC)C(=O)C=CC2=CC(=C(C=C2F)O)O","UCLVFWWQFRKWSS-HWKANZROSA-N",5471282,NA,"PDBC06224","710266","Present",NA,NA
+"6225","(E)-1-(2-(4-Chlorophenyl)-1H-benzoimidazole-1-yl)-3-phenyl-2-propene-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2-(4-chlorophenyl)-1H-benzo[d]imidazol-1-yl)-3-ph...",NA,"C1=CC=C(C=C1)C=CC(=O)N2C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl","OXQMPUBKBBUVQQ-XNTDXEJSSA-N",122387049,NA,"PDBC06225","773404","Present",NA,NA
+"6226","(E)-1-(2-(4-Fluorophenylamino)pyridin-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2-((4-fluorophenyl)amino)pyridin-3-yl)-3-(3,4,5-t...",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=C(N=CC=C2)NC3=CC=C(C=C3)F","GPPUORIYPZICIK-IZZDOVSWSA-N",117992568,NA,"PDBC06226","761408","Present",NA,NA
+"6227","(E)-1-(2-Amino-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2-Amino-4,6-dimethoxyphenyl)-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=C(C=C(C=C2OC)OC)OC)N","FRTWTJRPQYAILQ-VOTSOKGWSA-N",60147636,NA,"PDBC06227","751957","Present",NA,NA
+"6228","(E)-1-(2-Aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2-Aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2N)O","IUQMJWRUXHOYJG-MDZDMXLPSA-N",5917137,NA,"PDBC06228","637445","Present",NA,NA
+"6229","(E)-1-(2-Chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(2-Chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one",NA,"C1=CC=C(C(=C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)Cl","AOSIKJAEJNYRJB-SOFGYWHQSA-N",5388427,NA,"PDBC06229","635962","Present",NA,NA
+"6230","(E)-1-(3,2-a]Pyridin-3-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-dimethoxyphenyl)-3-(2-(trifluoromethyl)imidaz...",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=C(N=C3N2C=CC=C3)C(F)(F)F)OC","ZSKDPZULCCQUAO-BQYQJAHWSA-N",54599698,NA,"PDBC06230","750746","Present",NA,NA
+"6231","(E)-1-(3,4,5-Trimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4,5-trimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphe...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","ZSGRDEXAWFPNFB-BQYQJAHWSA-N",117928316,NA,"PDBC06231","765812","Present",NA,NA
+"6232","(E)-1-(3,4,5-Trimethoxyphenyl)-N-[2-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4,5-Trimethoxyphenyl)-N-[2-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine",NA,"COC1=CC(=CC(=C1OC)OC)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC(=C(C(=C5)OC)OC)OC","SWISGOWLODARQI-HZUVFDMRSA-N",54611484,NA,"PDBC06232","708414","Present",NA,NA
+"6233","(E)-1-(3,4-Dichlorophenyl)-3-(2-fluorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dichlorophenyl)-3-(2-fluorophenyl)-2-propen-1-one",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC(=C(C=C2)Cl)Cl)F","YXJNGRWNHKAJGL-SOFGYWHQSA-N",5387163,NA,"PDBC06233","621374","Present",NA,NA
+"6234","(E)-1-(3,4-Dichlorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-dichlorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C=C3)Cl)Cl","CBJAKCBIMXUFGA-FNORWQNLSA-N",117928280,NA,"PDBC06234","765804","Present",NA,NA
+"6235","(E)-1-(3,4-Dichlorophenyl)-5-(diethylamino)-4,4-dimethylpent-1-en-3-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-Dichlorophenyl)-5-(diethylamino)-4,4-dimethylpent-1-en-3-one;hydrobromide",NA,"CCN(CC)CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)Cl)Cl.Br","WEKYMFWIYAKLHB-VRTOBVRTSA-N",6514861,NA,"PDBC06235","601335","Present",NA,NA
+"6236","(E)-1-(3,4-Dichlorophenyl)-5-(diethylamino)pent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-Dichlorophenyl)-5-(diethylamino)pent-1-en-3-one",NA,"CCN(CC)CCC(=O)C=CC1=CC(=C(C=C1)Cl)Cl.Cl","PDODDOPOKLMMFI-GZOLSCHFSA-N",5467985,NA,"PDBC06236","661443","Present",NA,NA
+"6237","(E)-1-(3,4-Dichlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-Dichlorophenyl)-5-(dimethylamino)-4-methylpent-1-en-3-one;hydrochloride",NA,"CC(CN(C)C)C(=O)C=CC1=CC(=C(C=C1)Cl)Cl.Cl","QILMSWIUTNOIMW-GZOLSCHFSA-N",14532213,NA,"PDBC06237","378881","Present",NA,NA
+"6238","(E)-1-(3,4-Difluorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-difluorophenyl)-3-(3-(3,4,5-trimethoxyphenyl)...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C=C3)F)F","UBQXPKFQGOYNLH-FNORWQNLSA-N",117935827,NA,"PDBC06238","765808","Present",NA,NA
+"6239","(E)-1-(3,4-Dimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl...",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC)OC","AEKHVVUIZHWELD-BQYQJAHWSA-N",90718192,NA,"PDBC06239","765806","Present",NA,NA
+"6240","(E)-1-(3,4-Dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dimethoxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)-2-propene-1-one",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)OC)O","WCFCUJHEHZOPLY-QPJJXVBHSA-N",6039866,NA,"PDBC06240","196539","Present",NA,NA
+"6241","(E)-1-(3,4-Dimethoxyphenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-dimethoxyphenyl)-3-(2-methoxy-5-(3,4,5-trimet...",NA,"COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC(=C(C=C3)OC)OC","GKLQIKPSQTZDNO-JXMROGBWSA-N",155814704,NA,"PDBC06241","777185","Present",NA,NA
+"6242","(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxo-prop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)C=CC(=O)C4=CC(=C(C=C4)OC)OC)OC","CKRPKOUXYJQIJF-RPCRKUJJSA-N",5467692,NA,"PDBC06242","657874","Present",NA,NA
+"6243","(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4)OC","LPURVCWYIMXXEO-GXDHUFHOSA-N",5467966,NA,"PDBC06243","661191","Present",NA,NA
+"6244","(E)-1-(3,4-Dimethoxyphenyl)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-dimethoxyphenyl)-3-[6-(trifluoromethyl)imidaz...",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=C(N=C3N2C=CS3)C(F)(F)F)OC","YFHAPMJANPJPAS-SNAWJCMRSA-N",51353472,NA,"PDBC06244","749802","Present",NA,NA
+"6245","(E)-1-(3,4-Dimethoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dimethoxyphenyl)-3-(3-pyridinyl)-2-propen-1-one",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CN=CC=C2)OC","QHOMUNQVGOCTOP-FNORWQNLSA-N",5468167,NA,"PDBC06245","665695","Present",NA,NA
+"6246","(E)-1-(3,5-Dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-dihydroxyphenyl)-3-(4-hydroxy-phenyl-prop-2-en-1-one",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC(=CC(=C2)O)O)O","KDGCSKXONQBISZ-ZZXKWVIFSA-N",5468168,NA,"PDBC06246","665696","Present",NA,NA
+"6247","(E)-1-(3,5-Dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,5-Dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one",NA,"COC1=CC=C(C=C1)C=CC(=O)C2=CC(=CC(=C2)OC)OC","WUXJXFIZNJPAMA-RMKNXTFCSA-N",5470362,NA,"PDBC06247","700211","Present",NA,NA
+"6248","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,3,4-trihydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,3,4-trihydroxyphenyl)prop-2-en-1-one",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=C(C(=C(C=C2)O)O)O","WDIOWUWTQMVHFV-VQHVLOKHSA-N",5471154,NA,"PDBC06248","709098","Present",NA,NA
+"6249","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-en-1-one",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=CC3=C(C=C2)OCC3","TTZUNXXUKDXXRF-VQHVLOKHSA-N",5471153,NA,"PDBC06249","709097","Present",NA,NA
+"6250","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(2,6-dichlorophenyl)prop-2-en-1-one",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=C(C=CC=C2Cl)Cl","GXXLFVSNHZDRFN-ZHACJKMWSA-N",5471155,NA,"PDBC06250","709099","Present",NA,NA
+"6251","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=CC(=C(C=C2)OC)OC","ZGFOORMBYRSFFJ-PKNBQFBNSA-N",5471156,NA,"PDBC06251","709100","Present",NA,NA
+"6252","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-[4-(diethylamino)phenyl]prop-2-en-1-one",NA,"CCN(CC)C1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C","UYNVNMBZHPBTDU-DTQAZKPQSA-N",5471159,NA,"PDBC06252","709103","Present",NA,NA
+"6253","(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=CC=C(C=C2)N(C)C","IKNKJIBCKVHFEA-SDNWHVSQSA-N",5471157,NA,"PDBC06253","709101","Present",NA,NA
+"6254","(E)-1-(3,5-di-tert-butyl-2-hydroxybenzylidene)-2-(6-chlo...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,5-di-tert-butyl-2-hydroxybenzylidene)-2-(6-chlo...",NA,NA,NA,NA,NA,"PDBC06254","797767","Present",NA,NA
+"6255","(E)-1-(3-Aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3-Aminophenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC(=CC=C2)N)O","OPHLVZKAACFNSN-CMDGGOBGSA-N",5911709,NA,"PDBC06255","636787","Present",NA,NA
+"6256","(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(2-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(2-nitrophenyl)prop-2-en-1-one",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]","MHRGTPRZPJAAJS-ZHACJKMWSA-N",5387186,NA,"PDBC06256","621482","Present",NA,NA
+"6257","(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]","VICWOEASAXXUSB-DHZHZOJOSA-N",5387180,NA,"PDBC06257","621476","Present",NA,NA
+"6258","(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-naphthalen-1-ylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-3-naphthalen-1-ylprop-2-en-1-one",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC4=CC=CC=C43","CFUUXNKDUDKBRO-BUHFOSPRSA-N",5387182,NA,"PDBC06258","621478","Present",NA,NA
+"6259","(E)-1-(4-Amino-3-methoxyphenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3-amino-4-methoxyphenyl)-3-(2-methoxy-5-(3,4,5-tr...",NA,"COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC(=C(C=C3)N)OC","TUTYEBIISSVMTG-JXMROGBWSA-N",155811560,NA,"PDBC06259","777186","Present",NA,NA
+"6260","(E)-1-(4-Aminophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-aminophenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-p...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=CC(=O)C3=CC=C(C=C3)N","RJXQMHFIGZSIAG-CMDGGOBGSA-N",117935708,NA,"PDBC06260","774978","Present",NA,NA
+"6261","(E)-1-(4-Bromophenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Bromophenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one",NA,"CC(C)(CN1CCCCC1)C(=O)C=CC2=CC=C(C=C2)Br.Cl","ROHJPHYFKFPRBR-YGCVIUNWSA-N",6474497,NA,"PDBC06261","653451","Present",NA,NA
+"6262","(E)-1-(4-Butyramido-1-methyl-2-pyrroleacryloyl)-3-chloromethyl-6-nitroindoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Butyramido-1-methyl-2-pyrroleacryloyl)-3-chloro...",NA,"CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C2C=C(C=C3)[N+](=O)[O-])CCl)C","ZDFHNKMHWNQKTB-SOFGYWHQSA-N",5896344,NA,"PDBC06262","691248","Present",NA,NA
+"6263","(E)-1-(4-Chlorocyclohexyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Chlorocyclohexyl)-3-(3,4-dichlorophenyl)prop-2-en-1-one",NA,"C1CC(CCC1C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)Cl","JZKISJQPHBTNKM-KRXBUXKQSA-N",5388441,NA,"PDBC06263","636123","Present",NA,NA
+"6264","(E)-1-(4-Chlorophenyl)-3-(2,5-dihydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Chlorophenyl)-3-(2,5-dihydroxyphenyl)prop-2-en-1-one",NA,"C1=CC(=CC=C1C(=O)C=CC2=C(C=CC(=C2)O)O)Cl","TYJUMRBHCGGNFA-XVNBXDOJSA-N",24204424,NA,"PDBC06264","731808","Present",NA,NA
+"6265","(E)-1-(4-Chlorophenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Chlorophenyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-en-1-one",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=CC(=O)C4=CC=C(C=C4)Cl","VMYOGOXDZGRSDC-XNTDXEJSSA-N",46912849,NA,"PDBC06265","747863","Present",NA,NA
+"6266","(E)-1-(4-Chlorophenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-(4-chlorophenyl)-3-[4-[2-oxo- 2-(4-phe...",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)Cl","IVWIVEDYHIYVKO-OVCLIPMQSA-N",5466904,NA,"PDBC06266","645392","Present",NA,NA
+"6267","(E)-1-(4-Chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Chlorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)methanimine",NA,"CC1=NN(C(=C1)N=CC2=CC=C(C=C2)Cl)C3=CC=CC=C3","KCSUMEWPPHIEJL-XDHOZWIPSA-N",9572412,NA,"PDBC06267","715228","Present",NA,NA
+"6268","(E)-1-(4-Fluorophenyl)-2-[(4-fluorophenyl)methylsulfinyl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-((4-fluorobenzyl)sulfinyl)-1-(4-fluorophenyl)-3-(4...",NA,"C1=CC(=CC=C1CS(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F)F","ZGSPGJXWHCXPSU-FYJGNVAPSA-N",155814232,NA,"PDBC06268","798973","Present",NA,NA
+"6269","(E)-1-(4-Fluorophenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-fluorophenyl)-3-(2-methoxy-5-(3,4,5-trimethoxyb...",NA,"COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC=C(C=C3)F","AYAAYAXADGPZHO-YRNVUSSQSA-N",155816266,NA,"PDBC06269","780196","Present",NA,NA
+"6270","(E)-1-(4-Fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Fluorophenyl)-N-(5-methyl-2-phenylpyrazol-3-yl)methanimine",NA,"CC1=NN(C(=C1)N=CC2=CC=C(C=C2)F)C3=CC=CC=C3","CZLVXDRSBBKPRZ-XDHOZWIPSA-N",9572410,NA,"PDBC06270","715226","Present",NA,NA
+"6271","(E)-1-(4-Hydroxyphenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-hydroxyphenyl)-3-(2-methoxy-5-(3,4,5-trimethoxy...",NA,"COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC=C(C=C3)O","SUDDSSVWGPNPSK-YRNVUSSQSA-N",155805339,NA,"PDBC06271","780175","Present",NA,NA
+"6272","(E)-1-(4-Methoxyphenyl)-3-(2-(3,4,5-trimethoxyphenylamino)pyridin-3-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-methoxyphenyl)-3-(2-(3,4,5-trimethoxyphenylamin...",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=C(N=CC=C2)NC3=CC(=C(C(=C3)OC)OC)OC","HDVQKRINGPEGTH-FMIVXFBMSA-N",117992367,NA,"PDBC06272","761400","Present",NA,NA
+"6273","(E)-1-(4-Methoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-methoxyphenyl)-3-(3-(3,4,5-trimethoxyphenyl)-1H...",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC","KTLWTBCMOLZHJJ-JXMROGBWSA-N",117928187,NA,"PDBC06273","765802","Present",NA,NA
+"6274","(E)-1-(4-Methoxyphenyl)-3-[2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-methoxy-5-(3,4,5-trimethoxybenzoyl)phenyl)-1-(4...",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=C(C=CC(=C2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC","NUOYKVBQFPQQAH-XYOKQWHBSA-N",155811559,NA,"PDBC06274","777182","Present",NA,NA
+"6275","(E)-1-(4-Methoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(4-methoxyphenyl)-3-oxo-prop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Methoxyphenyl)-3-[4-[2-[10-[2-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]prop-2-en-1-one",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)OC","OUMTYXXUWYLGOM-CMNXJCJSSA-N",5467689,NA,"PDBC06275","657871","Present",NA,NA
+"6276","(E)-1-(4-Methoxyphenyl)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-(4-methoxyphenyl)-3-[4-[2-oxo- 2-(4-ph...",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC(=O)N3CCN(CC3)C4=CC=CC=C4","AFCHMPVIQWGBKF-CXUHLZMHSA-N",5466905,NA,"PDBC06276","645393","Present",NA,NA
+"6277","(E)-1-(4-Methoxyphenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-4,4-dimethyl-5-(1-piperidino)pent-1-en-3-one hydrochloride",NA,"CC(C)(CN1CCCCC1)C(=O)C=CC2=CC=C(C=C2)OC.Cl","ZBJYOBKCXSSIRU-NBYYMMLRSA-N",6474494,NA,"PDBC06277","640683","Present",NA,NA
+"6278","(E)-1-(4-Methoxyphenyl)-N-[2-[(E)-(4-methoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Methoxyphenyl)-N-[2-[(E)-(4-methoxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine",NA,"COC1=CC=C(C=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC=C(C=C5)OC","VJQGILXUPVSKNF-BKHCZYBLSA-N",54611474,NA,"PDBC06278","708410","Present",NA,NA
+"6279","(E)-1-(5-Chloro-2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(5-Chloro-2-hydroxyphenyl)-3-pyridin-4-ylprop-2-en-1-one",NA,"C1=CC(=C(C=C1Cl)C(=O)C=CC2=CC=NC=C2)O","OXGJWTBAFKSYOI-HNQUOIGGSA-N",5357374,NA,"PDBC06279","76175","Present",NA,NA
+"6280","(E)-1-(5-Nitro-1-benzothiophen-2-yl)-N-pyridin-2-ylmethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(5-Nitro-1-benzothiophen-2-yl)-N-pyridin-2-ylmethanimine",NA,"C1=CC=NC(=C1)N=CC2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]","RPDWXMADVIISHR-CXUHLZMHSA-N",9572323,NA,"PDBC06280","711820","Present",NA,NA
+"6281","(E)-1-(6,7-Dimethoxynaphthalen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(6,7-Dimethoxynaphthalen-2-yl)-3-(3,4-dimethoxyphenyl)prop-2-en-1-one",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC3=CC(=C(C=C3C=C2)OC)OC)OC","NEHAEPDYYDEXLS-WEVVVXLNSA-N",5960250,NA,"PDBC06281","208761","Present",NA,NA
+"6282","(E)-1-(6-Hydroxy-4-methoxybenzofuran-5-yl)-3-(2-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(6-hydroxy-4-methoxybenzofuran-5-yl)-3-(2-methoxyp...",NA,"COC1=CC=CC=C1C=CC(=O)C2=C(C3=C(C=C2O)OC=C3)OC","GADCYFCQKORMDY-BQYQJAHWSA-N",12211442,NA,"PDBC06282","753616","Present",NA,NA
+"6283","(E)-1-(6-Hydroxy-4-methoxybenzofuran-5-yl)-3-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(6-hydroxy-4-methoxybenzofuran-5-yl)-3-phenylprop-...",NA,"COC1=C(C(=CC2=C1C=CO2)O)C(=O)C=CC3=CC=CC=C3","SPFCYLTZEFTMIM-BQYQJAHWSA-N",11403645,NA,"PDBC06283","753613","Present",NA,NA
+"6284","(E)-1-(7-Allyl-6-hydroxy-4-methoxybenzofuran-5-yl)-3-(4-chlorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(7-allyl-6-hydroxy-4-methoxybenzofuran-5-yl)-3-(4-...",NA,"COC1=C(C(=C(C2=C1C=CO2)CC=C)O)C(=O)C=CC3=CC=C(C=C3)Cl","SGVILUCOLMBNRG-JXMROGBWSA-N",60148097,NA,"PDBC06284","753626","Present",NA,NA
+"6285","(E)-1-(7-Allyl-6-hydroxy-4-methoxybenzofuran-5-yl)-3-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(7-allyl-6-hydroxy-4-methoxybenzofuran-5-yl)-3-phe...",NA,"COC1=C(C(=C(C2=C1C=CO2)CC=C)O)C(=O)C=CC3=CC=CC=C3","KRLZLQNOPXJCGA-ZHACJKMWSA-N",23659410,NA,"PDBC06285","753625","Present",NA,NA
+"6286","(E)-1-(7-Chloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Chloro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,5...",NA,"CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","UHGXZCLNRISHHZ-VMPITWQZSA-N",54612661,NA,"PDBC06286","741739","Present",NA,NA
+"6287","(E)-1-(7-Methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Methoxy-3-methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,...",NA,"CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","ZJKRIDXDXHXKQI-RMKNXTFCSA-N",54612660,NA,"PDBC06287","741738","Present",NA,NA
+"6288","(E)-1-(Benzenesulfonyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(Benzenesulfonyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=CC(=O)S(=O)(=O)C4=CC=CC=C4","NPZXBSTZHWCMAY-FOCLMDBBSA-N",54613416,NA,"PDBC06288","749193","Present",NA,NA
+"6289","(E)-1-(Benzo[d][1,3]dioxol-5-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(benzo[d][1,3]dioxol-5-yl)-3-(3-(3,4,5-trimethoxyp...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C=CC(=O)C3=CC4=C(C=C3)OCO4","PTAVIMHKSPJEHM-AATRIKPKSA-N",117928007,NA,"PDBC06289","765805","Present",NA,NA
+"6290","(E)-1-(Diethylamino)-4-(4-methylphenyl)but-3-en-2-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(Diethylamino)-4-(4-methylphenyl)but-3-en-2-one;hydrobromide",NA,"CCN(CC)CC(=O)C=CC1=CC=C(C=C1)C.Br","WLOYBHAFQRLAPB-ASTDGNLGSA-N",5386925,NA,"PDBC06290","618763","Present",NA,NA
+"6291","(E)-1-(Furan-2-yl)-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(Furan-2-yl)-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine",NA,"CCCSC1=CC2=C(C=C1)NC(=C2)N=CC3=CC=CO3","XXJZMLLUAMMNPN-GZTJUZNOSA-N",9572435,NA,"PDBC06291","716175","Present",NA,NA
+"6292","(E)-1-(Propylamino)-4-trimethylsilylbut-3-en-2-ol;(E)-2-(propylamino)-4-trimethylsilylbut-3-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(Propylamino)-4-trimethylsilylbut-3-en-2-ol;(E)-2-(propylamino)-4-trimethylsilylbut-3-en-1-ol",NA,"CCCNCC(C=C[Si](C)(C)C)O.CCCNC(CO)C=C[Si](C)(C)C","BPGMNFZIQAHGPH-QBIWIAABSA-N",5386735,NA,"PDBC06292","617377","Present",NA,NA
+"6293","(E)-1-Diethoxyphosphoryl-1-fluoro-prop-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-Diethoxyphosphoryl-1-fluoro-prop-1-ene",NA,"CCOP(=O)(C(=CC)F)OCC","STGVFUAXZNHPQW-QPJJXVBHSA-N",6277641,NA,"PDBC06293","682312","Present",NA,NA
+"6294","(E)-1-Methyl-N-[(E)-(1-methylquinolin-4-ylidene)amino]quinolin-4-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-Methyl-N-[(E)-(1-methylquinolin-4-ylidene)amino]quinolin-4-imine",NA,"CN1C=CC(=NN=C2C=CN(C3=CC=CC=C23)C)C4=CC=CC=C41","NZJOSTCMDPAPOD-KSTNYAOJSA-N",9569316,NA,"PDBC06294","306843","Present",NA,NA
+"6295","(E)-1-Naphthalen-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-Naphthalen-1-yl-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=CC3=CC=CC=C32","GJAIIBGSTCBLNH-VAWYXSNFSA-N",5387164,NA,"PDBC06295","621375","Present",NA,NA
+"6296","(E)-1-Phenyl-5-(1-piperidyl)pent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-Phenyl-5-(1-piperidyl)pent-1-en-3-one",NA,"C1CCN(CC1)CCC(=O)C=CC2=CC=CC=C2.Cl","CHQQONIQHPVQCU-RRABGKBLSA-N",6474476,NA,"PDBC06296","659757","Present",NA,NA
+"6297","(E)-1-Phenyl-N-(5-phenylsulfanyl-1H-indol-2-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-Phenyl-N-(5-phenylsulfanyl-1H-indol-2-yl)methanimine",NA,"C1=CC=C(C=C1)C=NC2=CC3=C(N2)C=CC(=C3)SC4=CC=CC=C4","UMEOQAFFXDDTCT-PXLXIMEGSA-N",9572432,NA,"PDBC06297","716167","Present",NA,NA
+"6298","(E)-1-Phenyl-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-Phenyl-N-(5-propylsulfanyl-1H-indol-2-yl)methanimine",NA,"CCCSC1=CC2=C(C=C1)NC(=C2)N=CC3=CC=CC=C3","IGTSZAJEOCVKOL-CPNJWEJPSA-N",9572434,NA,"PDBC06298","716174","Present",NA,NA
+"6299","(E)-1-Thiophen-2-yl-N-[2-[(E)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-Thiophen-2-yl-N-[2-[(E)-thiophen-2-ylmethylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]methanimine",NA,"C1=CSC(=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC=CS5","NDNKFNPDNUOMQH-LQGKIZFRSA-N",54611488,NA,"PDBC06299","708412","Present",NA,NA
+"6300","(E)-1-[(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol",NA,"CC(C)(C)CN1C2CCCCC2N(P1(=O)C(C=CC3=CC=CC=C3)O)CC(C)(C)C","NDTHCMGNBOFWJN-XKXLLCLJSA-N",5470791,NA,"PDBC06300","705136","Present",NA,NA
+"6301","(E)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol",NA,"C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)O)CC5=CC=CC=C5","LCGHCZJGXFVGPA-VZBMMBHISA-N",5470793,NA,"PDBC06301","705139","Present",NA,NA
+"6302","(E)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]but-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]but-2-en-1-ol",NA,"CC=CC(O)P1(=O)N(C2CCCCC2N1CC3=CC=CC=C3)CC4=CC=CC=C4","SLBARQYLDGYTRZ-SZSMSUKISA-N",5470795,NA,"PDBC06302","705142","Present",NA,NA
+"6303","(E)-1-[(3Ar,7aR)-1,3-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[(3Ar,7aR)-1,3-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-ol",NA,"CN1C2CCCCC2N(P1(=O)C(C=CC3=CC=CC=C3)O)C","MLQZFJNQVLAFKP-ZJGXIMJYSA-N",5470792,NA,"PDBC06303","705138","Present",NA,NA
+"6304","(E)-1-[(3Ar,7aR)-2-oxo-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[(3Ar,7aR)-2-oxo-1,3-di(propan-2-yl)-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-en-1-one",NA,"CC(C)N1C2CCCCC2N(P1(=O)C(=O)C=CC3=CC=CC=C3)C(C)C","VNUQDLGNOLYNBK-ICQOZSIZSA-N",5471631,NA,"PDBC06304","712302","Present",NA,NA
+"6305","(E)-1-[(4R,5R)-1,3-Dibenzyl-2-oxo-4,5-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[(4R,5R)-1,3-Dibenzyl-2-oxo-4,5-diphenyl-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol",NA,"C1=CC=C(C=C1)CN2C(C(N(P2(=O)C(C=CC3=CC=CC=C3)O)CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","HQXVTGDUFBXCFS-VNOLPKDCSA-N",5470796,NA,"PDBC06305","705149","Present",NA,NA
+"6306","(E)-1-[(4S,5S)-1,3-Dibenzyl-4,5-dimethyl-2-oxo-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[(4S,5S)-1,3-Dibenzyl-4,5-dimethyl-2-oxo-1,3,2lambda5-diazaphospholidin-2-yl]-3-phenylprop-2-en-1-ol",NA,"CC1C(N(P(=O)(N1CC2=CC=CC=C2)C(C=CC3=CC=CC=C3)O)CC4=CC=CC=C4)C","WHGWSLXYUJVQOT-XNPOJZGPSA-N",5471630,NA,"PDBC06306","712301","Present",NA,NA
+"6307","(E)-1-[1-(2-Phenyl-2-oxoethyl)-1H-benzimidazol-2-yl]-3-(3,4-dichlorophenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[1-(2-Phenyl-2-oxoethyl)-1H-benzimidazol-2-yl]-3-(3,4-dichlorophenyl)-2-propen-1-one",NA,"C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C=CC4=CC(=C(C=C4)Cl)Cl","ONUIHJFMCZNDKZ-ACCUITESSA-N",5471207,NA,"PDBC06307","709469","Present",NA,NA
+"6308","(E)-1-[1-Ethyl-4-[(E)-2-(4-ethylphenyl)ethenyl]-4-hydroxypiperidin-3-yl]-3-(4-ethylphenyl)prop-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-[1-ethyl-4-[2-(4-ethylphenyl)ethenyl]-...",NA,"CCC1=CC=C(C=C1)C=CC(=O)C2CN(CCC2(C=CC3=CC=C(C=C3)CC)O)CC.Cl","XJDPAUYFONOZBC-DCPGAFKKSA-N",5468964,NA,"PDBC06308","680342","Present",NA,NA
+"6309","(E)-1-[1-Ethyl-4-hydroxy-4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[1-Ethyl-4-hydroxy-4-[(E)-2-(2-methylphenyl)ethenyl]piperidin-3-yl]-3-(2-methylphenyl)prop-2-en-1-one;hydrochloride",NA,"CCN1CCC(C(C1)C(=O)C=CC2=CC=CC=C2C)(C=CC3=CC=CC=C3C)O.Cl","UWYZZQIQBKJPGD-CKUBSENYSA-N",5469087,NA,"PDBC06309","682874","Present",NA,NA
+"6310","(E)-1-[1-[2-(4-Chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-furyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[1-[2-(4-Chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-furyl)prop-2-en-1-one",NA,"C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)C=CC4=CC=CO4","HBMIPQUAAYBAAT-VAWYXSNFSA-N",5471213,NA,"PDBC06310","709475","Present",NA,NA
+"6311","(E)-1-[1-[2-(4-Chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[1-[2-(4-Chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one",NA,"C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)C=CC4=CC=CS4","IGVSFSRTEDAOEU-VAWYXSNFSA-N",5471215,NA,"PDBC06311","709477","Present",NA,NA
+"6312","(E)-1-[1-[2-Oxo-2-(p-tolyl)ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[1-[2-Oxo-2-(p-tolyl)ethyl]benzimidazol-2-yl]-3-(2-thienyl)prop-2-en-1-one",NA,"CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C=CC4=CC=CS4","NJMCVXJOTKMQFD-OUKQBFOZSA-N",5471214,NA,"PDBC06312","709476","Present",NA,NA
+"6313","(E)-1-[2,4-Dihydroxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenyl-prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[2,4-Dihydroxy-5-[(E)-3-phenylprop-2-enoyl]phenyl]-3-phenyl-prop-2-en-1-one",NA,"C1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2O)O)C(=O)C=CC3=CC=CC=C3","CAAJXTJDBCGUNB-PHEQNACWSA-N",5937788,NA,"PDBC06313","668412","Present",NA,NA
+"6314","(E)-1-[2,6-Dihydroxy-3-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[2,6-Dihydroxy-3-[(2S,4R,6S)-2-(4-hydroxyphenyl)-6-[2-(4-hydroxyphenyl)ethyl]oxan-4-yl]-4-methoxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one",NA,"COC1=C(C(=C(C(=C1)O)C(=O)C=CC2=CC=C(C=C2)O)O)C3CC(OC(C3)C4=CC=C(C=C4)O)CCC5=CC=C(C=C5)O","FWVZNVJOZVWMHI-VKTVXKIRSA-N",45028009,NA,"PDBC06314","740600","Present",NA,NA
+"6315","(E)-1-[2-(1H-Indol-3-yl)indolin-1-yl]-2,3-diphenyl-prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[2-(1H-Indol-3-yl)indolin-1-yl]-2,3-diphenyl-prop-2-en-1-one",NA,"C1C(N(C2=CC=CC=C21)C(=O)C(=CC3=CC=CC=C3)C4=CC=CC=C4)C5=CNC6=CC=CC=C65","KHXLHKWBDXAZSK-LGUFXXKBSA-N",5388203,NA,"PDBC06315","633483","Present",NA,NA
+"6316","(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-hydroxy-3-methoxy-phenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC(=C(C=C5)O)OC","ZZNSOJTZSARKIF-JQIJEIRASA-N",6055758,NA,"PDBC06316","640582","Present",NA,NA
+"6317","(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-methoxyphenyl)prop-2-en-1-one",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)OC","APGCCQBKJYTXGG-OBGWFSINSA-N",5938867,NA,"PDBC06317","640588","Present",NA,NA
+"6318","(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-[4-[(E)-3-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-oxo-prop-1-enyl]phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-[4-[(E)-3-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)C=CC(=O)C6=C(N=C(S6)N7C(=CC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C","SSUPTICDFNZWRP-QAVVBOBSSA-N",5796837,NA,"PDBC06318","640557","Present",NA,NA
+"6319","(E)-1-[2-(4-Chlorophenyl)-1-[(E)-methoxyiminomethyl]pyrrolo[2,1-b][1,3]benzothiazol-3-yl]-N-methoxymethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[2-(4-Chlorophenyl)-1-[(E)-methoxyiminomethyl]pyrrolo[2,1-b][1,3]benzothiazol-3-yl]-N-methoxymethanimine",NA,"CON=CC1=C2N(C3=CC=CC=C3S2)C(=C1C4=CC=C(C=C4)Cl)C=NOC","CBSDSQLPBTXHDP-LCHFAGMQSA-N",9572135,NA,"PDBC06319","704594","Present",NA,NA
+"6320","(E)-1-[3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-chlorophenyl)prop-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-chlorophenyl)prop-2-en-1-one;hydrochloride",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)Cl.Cl","KIYNOZWFXWFNMV-HCUGZAAXSA-N",6519102,NA,"PDBC06320","677785","Present",NA,NA
+"6321","(E)-1-[3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-fluorophenyl)prop-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[3,5-Bis[(dimethylamino)methyl]-4-hydroxyphenyl]-3-(4-fluorophenyl)prop-2-en-1-one;hydrochloride",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)F.Cl","MEIDDOJVCKAUCZ-HCUGZAAXSA-N",6519110,NA,"PDBC06321","677793","Present",NA,NA
+"6322","(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=CC=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5","DEQCTNXIALLGKH-ISLYRVAYSA-N",45028636,NA,"PDBC06322","743530","Present",NA,NA
+"6323","(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(3-methoxyphenyl)prop-2-en-1-one",NA,"COC1=CC=CC(=C1)C=CC(=O)C2=CC(=CC=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5","GANVVABKWTZOKK-VHEBQXMUSA-N",45028634,NA,"PDBC06323","743528","Present",NA,NA
+"6324","(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,"C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])NC5=CC=CC=C5","IYLIVTCUZWVWAS-KNTRCKAVSA-N",45028635,NA,"PDBC06324","743529","Present",NA,NA
+"6325","(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[3-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one",NA,"C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=CC(=C3)C(=O)C=CC4=CC=CO4)NC5=CC=CC=C5","XSPWDVOYSALMLJ-WUKNDPDISA-N",45028638,NA,"PDBC06325","743532","Present",NA,NA
+"6326","(E)-1-[4-(1H-Benzimidazol-2-ylmethylamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-(1H-Benzimidazol-2-ylmethylamino)phenyl]-3-(4-bromophenyl)prop-2-en-1-one",NA,"C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)C=CC4=CC=C(C=C4)Br","QRXHNKAPDYEQSJ-VGOFMYFVSA-N",5839697,NA,"PDBC06326","645070","Present",NA,NA
+"6327","(E)-1-[4-(1H-Benzimidazol-2-ylmethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-(1H-Benzimidazol-2-ylmethylamino)phenyl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,"C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]","ZTGCXJWWCMAREW-VGOFMYFVSA-N",5835134,NA,"PDBC06327","645072","Present",NA,NA
+"6328","(E)-1-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-3-(3-bromophenyl)prop-2-en-1-one;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC(=CC=C4)Br.C(=CC(=O)O)C(=O)O","MWGLULSRKAXKBJ-YJBXQRLDSA-N",5471052,NA,"PDBC06328","707829","Present",NA,NA
+"6329","(E)-1-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-3-(3-nitrophenyl)prop-2-en-1-one;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-].C(=CC(=O)O)C(=O)O","LGFNFMBOXAAHLV-YJBXQRLDSA-N",5471048,NA,"PDBC06329","707826","Present",NA,NA
+"6330","(E)-1-[4-(Quinazolin-4-ylamino)phenyl]-3-(2,4,6-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E)-1-(4-(quinazolin-4-ylamino)phenyl)-3-(2,4,6-trimethox...",NA,"COC1=CC(=C(C(=C1)OC)C=CC(=O)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43)OC","QQLYYNYDAOUNJE-OUKQBFOZSA-N",155816064,NA,"PDBC06330","760015","Present",NA,NA
+"6331","(E)-1-[4-Methyl-2-(3-pyridyl)thiazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-Methyl-2-(3-pyridyl)thiazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one",NA,"CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C=CC3=CC(=CC=C3)[N+](=O)[O-]","NIZBFYLGJDSPQW-BQYQJAHWSA-N",5917656,NA,"PDBC06331","640569","Present",NA,NA
+"6332","(E)-1-[4-Methyl-2-(3-pyridyl)thiazol-5-yl]-3-(p-tolyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-Methyl-2-(3-pyridyl)thiazol-5-yl]-3-(p-tolyl)prop-2-en-1-one",NA,"CC1=CC=C(C=C1)C=CC(=O)C2=C(N=C(S2)C3=CN=CC=C3)C","DQVSOUAMHBJMKT-MDZDMXLPSA-N",5783473,NA,"PDBC06332","640579","Present",NA,NA
+"6333","(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]thiazol-2-yl]thiazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-3-(4-nitrophenyl)prop-2-enoyl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-])C)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]","QCWZBSFMTXYXNZ-FNCQTZNRSA-N",5466743,NA,"PDBC06333","642073","Present",NA,NA
+"6334","(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-3-(p-tolyl)prop-2-enoyl]thiazol-2-yl]thiazol-5-yl]-3-(p-tolyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]-3-(4-methylphenyl)prop-2-en-1-one",NA,"CC1=CC=C(C=C1)C=CC(=O)C2=C(N=C(S2)C3=NC(=C(S3)C(=O)C=CC4=CC=C(C=C4)C)C)C","GVTZGBOVXHXOOH-WXUKJITCSA-N",6309658,NA,"PDBC06334","640573","Present",NA,NA
+"6335","(E)-1-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-[4-(diethylamino)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[(4,6-Dianilino-1,3,5-triazin-2-yl)amino]phenyl]-3-[4-(diethylamino)phenyl]prop-2-en-1-one",NA,"CCN(CC)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=CC=C5","BSDWIIDHZIPBNX-JJIBRWJFSA-N",45028639,NA,"PDBC06335","743533","Present",NA,NA
+"6336","(E)-1-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one",NA,"COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl","PVQLLQJHKXURGF-YIXHJXPBSA-N",13432181,NA,"PDBC06336","743863","Present",NA,NA
+"6337","(E)-1-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one",NA,"C1=COC(=C1)C=CC(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl","BJPFCFLSWWNGTD-CSKARUKUSA-N",42631501,NA,"PDBC06337","743864","Present",NA,NA
+"6338","(E)-1-[4-[(E)-4,4-Dimethyl-3-oxo-5-piperidin-1-ylpent-1-enyl]phenyl]-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Penten-3-one, 5,5'-(1,4-phenylenbis)bis[2,2-dimethyl- ...",NA,"CC(C)(CN1CCCCC1)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C(C)(C)CN3CCCCC3.Br","CBFUQBRXHGADNJ-UZQGXGHZSA-N",5386918,NA,"PDBC06338","618759","Present",NA,NA
+"6339","(E)-1-[4-[(E)-4,4-Dimethyl-5-morpholin-4-yl-3-oxopent-1-enyl]phenyl]-4,4-dimethyl-5-morpholin-4-ylpent-1-en-3-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[(E)-4,4-Dimethyl-5-morpholin-4-yl-3-oxopent-1-enyl]phenyl]-4,4-dimethyl-5-morpholin-4-ylpent-1-en-3-one;hydrobromide",NA,"CC(C)(CN1CCOCC1)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C(C)(C)CN3CCOCC3.Br","AWXBHZLZIQQFAX-NVUWAARKSA-N",5386920,NA,"PDBC06339","618760","Present",NA,NA
+"6340","(E)-1-[4-[2-(2-Methyl-5-nitroimidazol-1-yl)ethoxy]phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{4-[2-(2-methyl-5-nitro-imidazol-1-yl)-ethoxy]-phenyl}...",NA,"CC1=NC=C(N1CCOC2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)C(F)(F)F)[N+](=O)[O-]","IEUDPVDJQIIPAH-NYYWCZLTSA-N",90670633,NA,"PDBC06340","771761","Present",NA,NA
+"6341","(E)-1-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,"C1CN(CCN1CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-]","WBKIEXXYWOAONG-LZWSPWQCSA-N",5471054,NA,"PDBC06341","707832","Present",NA,NA
+"6342","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(2-methoxyphenyl)prop-2-en-1-one",NA,"COC1=CC=CC=C1C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","AJLRONSNHPYIBF-UFWORHAWSA-N",24205906,NA,"PDBC06342","737225","Present",NA,NA
+"6343","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","IKFBUWZZHKQZNK-HAVNEIBRSA-N",24205912,NA,"PDBC06343","737231","Present",NA,NA
+"6344","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-chlorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-chlorophenyl)prop-2-en-1-one",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F)Cl","JPLIGKVFUJUHFF-JFQJCAQQSA-N",24205903,NA,"PDBC06344","737222","Present",NA,NA
+"6345","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one",NA,"COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","PPPUHSFDOMOMIT-RMOCHZDMSA-N",24205905,NA,"PDBC06345","737224","Present",NA,NA
+"6346","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one",NA,"C1=COC(=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","CNLZMDBMHWVACB-FOCLMDBBSA-N",24205907,NA,"PDBC06346","737226","Present",NA,NA
+"6347","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one",NA,"CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","NRYHMYBLOQYPEX-DENHBWNVSA-N",24205910,NA,"PDBC06347","737229","Present",NA,NA
+"6348","(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-thiophen-2-ylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-thiophen-2-ylprop-2-en-1-one",NA,"C1=CSC(=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","SVPBWZCDXROTPM-FOCLMDBBSA-N",24205908,NA,"PDBC06348","737227","Present",NA,NA
+"6349","(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F","IIYURFKXYHGPOW-HAVNEIBRSA-N",45028714,NA,"PDBC06349","743883","Present",NA,NA
+"6350","(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one",NA,"COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F","WTECLSBGIVRQJG-RMOCHZDMSA-N",45028711,NA,"PDBC06350","743880","Present",NA,NA
+"6351","(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(furan-2-yl)prop-2-en-1-one",NA,"C1=COC(=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F","WCKRDZCXIZQRIQ-FOCLMDBBSA-N",45028716,NA,"PDBC06351","743885","Present",NA,NA
+"6352","(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one",NA,"CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F","FYAVSCQPISVICA-DENHBWNVSA-N",45028715,NA,"PDBC06352","743884","Present",NA,NA
+"6353","(E)-1-[4-[[4-Anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[4-[[4-Anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=CC=C4)NC5=CC=C(C=C5)Cl","FOZYRWLBSFCSDA-GIJQJNRQSA-N",54613477,NA,"PDBC06353","749379","Present",NA,NA
+"6354","(E)-1-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-[5-[(Z)-3-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-2-methylpyrazol-3-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-[5-[(Z)-3-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-2-methylpyrazol-3-yl]prop-2-en-1-one",NA,"CN1C(=CC(=N1)C=CC(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl)C=CC(=O)N5CC(C6=C5C=C(C7=CC=CC=C76)N)CCl","POHRJBWHCNNYHG-PJABCKPXSA-N",5470438,NA,"PDBC06354","701746","Present",NA,NA
+"6355","(E)-2,3',3,4,4',5'-Hexamethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,4,5-Trimethoxyphenyl)Ethenyl]-1,2,3-Trimethoxy B...",NA,"COC1=C(C(=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC)OC","BZNYPVQQNQLMKZ-BQYQJAHWSA-N",5388064,NA,"PDBC06355","631364","Present",NA,NA
+"6356","(E)-2,3-Bis(2-thienyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC607882",NA,"C1=CSC(=C1)C=C(C#N)C2=CC=CS2","OXJZQVOOGYHIQG-CLFYSBASSA-N",5386356,NA,"PDBC06356","607882","Present",NA,NA
+"6357","(E)-2,3-Dichloro-3-[3-(trifluoromethyl)anilino]prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2,3-Dichloro-3-[3-(trifluoromethyl)anilino]prop-2-enoic acid",NA,"C1=CC(=CC(=C1)NC(=C(C(=O)O)Cl)Cl)C(F)(F)F","AISQOJWVNQUKDI-FPLPWBNLSA-N",3003999,NA,"PDBC06357","622374","Present",NA,NA
+"6358","(E)-2,3-Dichloro-4-oxo-4-(2,3,4-trichloroanilino)but-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2,3-Dichloro-4-oxo-4-(2,3,4-trichloroanilino)but-2-enoic acid",NA,"C1=CC(=C(C(=C1NC(=O)C(=C(C(=O)O)Cl)Cl)Cl)Cl)Cl","VRNQMFCNEGRPNK-BQYQJAHWSA-N",3004000,NA,"PDBC06358","622375","Present",NA,NA
+"6359","(E)-2,4-Diphenylbut-3-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2,4-Diphenylbut-3-enoic acid",NA,"C1=CC=C(C=C1)C=CC(C2=CC=CC=C2)C(=O)O","XDCWKTVDGLXVME-VAWYXSNFSA-N",5458329,NA,"PDBC06359","154652","Present",NA,NA
+"6360","(E)-2-(1,3-Benzoxazol-2-yl)-3-pyridin-2-ylprop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(1,3-Benzoxazol-2-yl)-3-pyridin-2-ylprop-2-enenitrile",NA,"C1=CC=C2C(=C1)N=C(O2)C(=CC3=CC=CC=N3)C#N","SWGJCVDRRFTLLF-PKNBQFBNSA-N",24206037,NA,"PDBC06360","737749","Present",NA,NA
+"6361","(E)-2-(1,3-Benzoxazol-2-yl)-3-thiophen-3-ylprop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(1,3-Benzoxazol-2-yl)-3-thiophen-3-ylprop-2-enenitrile",NA,"C1=CC=C2C(=C1)N=C(O2)C(=CC3=CSC=C3)C#N","KHMHPBZCARGSGC-YRNVUSSQSA-N",24206036,NA,"PDBC06361","737747","Present",NA,NA
+"6362","(E)-2-(1H Benzo[d]imidazol-2-yl)-3,5,6 tetrachloro-N'-cinnamoylbenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(1H benzo[d]imidazol-2-yl)-3,4,5,6 tetrachloro-N'-...",NA,"C1=CC=C(C=C1)C=CC(=O)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3","HYAHHJBISOQGQT-ZHACJKMWSA-N",5472127,NA,"PDBC06362","716356","Present",NA,NA
+"6363","(E)-2-(2,5-Dihydroxystyryl)-3-(2-methyl-4-(phenylethynyl)phenyl)quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(2,5-dihydroxystyryl)-3-(2-methyl-4-(phenylethynyl...",NA,"CC1=C(C=CC(=C1)C#CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C=CC5=C(C=CC(=C5)O)O","DMMHMNDXRPIVSC-NBVRZTHBSA-N",136040185,NA,"PDBC06363","754031","Present",NA,NA
+"6364","(E)-2-(2-Amino-4,5-dimethylfuran-3-yl)sulfonyl-3-(2-nitrophenyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(2-Amino-4,5-dimethylfuran-3-yl)sulfonyl-3-(2-nitrophenyl)prop-2-enenitrile",NA,"CC1=C(OC(=C1S(=O)(=O)C(=CC2=CC=CC=C2[N+](=O)[O-])C#N)N)C","TYPFFBZNFRGXRK-KPKJPENVSA-N",5470592,NA,"PDBC06364","703176","Present",NA,NA
+"6365","(E)-2-(2-Chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(2-Chloroethyl)-2-phenyl-6-trimethylsilylhex-5-enal",NA,"C[Si](C)(C)C=CCCC(CCCl)(C=O)C1=CC=CC=C1","KRJQZXNTVHDNCC-RIYZIHGNSA-N",5386742,NA,"PDBC06365","617416","Present",NA,NA
+"6366","(E)-2-(3,4-Dihydroxybenzoyl)-3-(1H-indol-5-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenenitrile, 3-(1H-indol-5-yl)- 2-[(3,4-dihydroxybe...",NA,"C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=O)C3=CC(=C(C=C3)O)O","TWEQSBKXFOZXRA-RIYZIHGNSA-N",5329274,NA,"PDBC06366","650933","Present",NA,NA
+"6367","(E)-2-(3-Hydroxy-5-(4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(3-Hydroxy-5-(4-hydroxystyryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol",NA,"C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O","HSTZMXCBWJGKHG-OWOJBTEDSA-N",5470020,NA,"PDBC06367","696477","Present",NA,NA
+"6368","(E)-2-(4-Bromophenyl)-3-chloro-3-(3,4-dimethoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(4-Bromophenyl)-3-chloro-3-(3,4-dimethoxyphenyl)prop-2-enal",NA,"COC1=C(C=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)Br)Cl)OC","ATTBXMTYAFPUED-VKAVYKQESA-N",5387401,NA,"PDBC06368","623180","Present",NA,NA
+"6369","(E)-2-(4-Chlorobenzoyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(4-Chlorobenzoyl)-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]prop-2-enenitrile",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC=C(C#N)C(=O)C3=CC=C(C=C3)Cl","OMOPKZIXVZVNIC-DTQAZKPQSA-N",3005260,NA,"PDBC06369","687554","Present",NA,NA
+"6370","(E)-2-(4-Hydroxystyryl)-3-(2-methyl-4-(phenylethynyl)phenyl)quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(4-hydroxystyryl)-3-(2-methyl-4-(phenylethynyl)phe...",NA,"CC1=C(C=CC(=C1)C#CC2=CC=CC=C2)N3C(=NC4=CC=CC=C4C3=O)C=CC5=CC=C(C=C5)O","OICMQQKXARGIKA-CAPFRKAQSA-N",136040184,NA,"PDBC06370","754027","Present",NA,NA
+"6371","(E)-2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E) 2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2...",NA,"COC1=CC=C(C=C1)C(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)O","HYACEYXDOWOHIZ-OQLLNIDSSA-N",5388751,NA,"PDBC06371","638406","Present",NA,NA
+"6372","(E)-2-(5,6-Difluorobenzotriazol-1-yl)-3-(4-methylphenyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(5,6-difluoro-1H-benzo[d][1,2,3]triazol-1-yl)-3-p-...",NA,"CC1=CC=C(C=C1)C=C(C#N)N2C3=CC(=C(C=C3N=N2)F)F","FZAWNBOEFFZPNZ-WUXMJOGZSA-N",155817098,NA,"PDBC06372","801430","Present",NA,NA
+"6373","(E)-2-(Benzenesulfonyl)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(Benzenesulfonyl)-1-phenyl-3-(2-phenyl-1H-indol-3-yl)prop-2-en-1-one",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","ZQMSEHYDJXANGC-NHFJDJAPSA-N",54613202,NA,"PDBC06373","749025","Present",NA,NA
+"6374","(E)-2-(Benzenesulfonyl)-3-(2-chlorophenyl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(Benzenesulfonyl)-3-(2-chlorophenyl)prop-2-enoic acid",NA,"C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=CC=C2Cl)C(=O)O","MKBJBCHFVNPXSA-GXDHUFHOSA-N",5387873,NA,"PDBC06374","629032","Present",NA,NA
+"6375","(E)-2-(Benzenesulfonyl)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(Benzenesulfonyl)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)prop-2-enenitrile",NA,"COC1=CC2=C(C=C1)NC(=C2C=C(C#N)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4","HSPBJSUJBJNRBC-HMMYKYKNSA-N",54612753,NA,"PDBC06375","748872","Present",NA,NA
+"6376","(E)-2-(Benzenesulfonyl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(Benzenesulfonyl)-3-[2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile",NA,"COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)S(=O)(=O)C4=CC=CC=C4","LCQBUMMTVSXTTG-HMMYKYKNSA-N",54612752,NA,"PDBC06376","748871","Present",NA,NA
+"6377","(E)-2-(Benzenesulfonyl)-3-[5-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(Benzenesulfonyl)-3-[5-methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]prop-2-enenitrile",NA,"COC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)OC)C=C(C#N)S(=O)(=O)C4=CC=CC=C4","JULDFNIAYCOYRE-RCCKNPSSSA-N",54612754,NA,"PDBC06377","748873","Present",NA,NA
+"6378","(E)-2-Amino-2-methyl-4-phenylbut-3-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Amino-2-methyl-4-phenylbut-3-enoic acid",NA,"CC(C=CC1=CC=CC=C1)(C(=O)O)N","CUDFQKSZEIHDPO-BQYQJAHWSA-N",5458756,NA,"PDBC06378","337629","Present",NA,NA
+"6379","(E)-2-Benzyl-2-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]pent-3-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Benzyl-2-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]pent-3-enenitrile",NA,"CC=CC(CC1=CC=CC=C1)(C#N)OP2(=O)N(C(C(O2)C3=CC=CC=C3)C)C","FSDJJEDUCMSVDH-SYZQJQIISA-N",5471496,NA,"PDBC06379","711759","Present",NA,NA
+"6380","(E)-2-Chlorozeatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Chlorozeatin",NA,"CC(=CCNC1=NC(=NC2=C1NC=N2)Cl)CO","JABZKUYIOASMRH-QHHAFSJGSA-N",5785807,NA,"PDBC06380","672185","Present",NA,NA
+"6381","(E)-2-Cyano-3-(2,3-dihydroxyphenyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Cyano-3-(2,3-dihydroxyphenyl)prop-2-enamide",NA,"C1=CC(=C(C(=C1)O)O)C=C(C#N)C(=O)N","RNKOYWSNFNFFMS-QPJJXVBHSA-N",5388677,NA,"PDBC06381","638075","Present",NA,NA
+"6382","(E)-2-Cyano-3-(2,4,6-trihydroxyphenyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Cyano-3-(2,4,6-trihydroxyphenyl)prop-2-enamide",NA,"C1=C(C=C(C(=C1O)C=C(C#N)C(=O)N)O)O","QSVJOCQSOCGHOL-ORCRQEGFSA-N",5388681,NA,"PDBC06382","638082","Present",NA,NA
+"6383","(E)-2-Cyano-3-(2,4-dihydroxyphenyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Cyano-3-(2,4-dihydroxyphenyl)prop-2-enamide",NA,"C1=CC(=C(C=C1O)O)C=C(C#N)C(=O)N","LZJOLTYMLNKVEJ-XVNBXDOJSA-N",5388675,NA,"PDBC06383","638071","Present",NA,NA
+"6384","(E)-2-Cyano-3-(2,5-dihydroxy-phenyl)-acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Cyano-3-(2,5-dihydroxy-phenyl)-acrylamide",NA,"C1=CC(=C(C=C1O)C=C(C#N)C(=O)N)O","AEEPXYZNJPKDOX-XVNBXDOJSA-N",5388678,NA,"PDBC06384","638076","Present",NA,NA
+"6385","(E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Cyano-3-(3,4,5-trihydroxyphenyl)prop-2-enamide",NA,"C1=C(C=C(C(=C1O)O)O)C=C(C#N)C(=O)N","IZDSLPGXLRWXIF-LZCJLJQNSA-N",5388680,NA,"PDBC06385","638080","Present",NA,NA
+"6386","(E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide",NA,"C1=CC(=CC=C1CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N)C(F)(F)F","MGDBSYXYZRISDG-NTUHNPAUSA-N",9906987,NA,"PDBC06386","722756","Present",NA,NA
+"6387","(E)-2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Cyano-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)prop-2-enamide",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C(=O)NCCO","LEMDPLWLKDWROF-NTEUORMPSA-N",5471166,NA,"PDBC06387","709114","Present",NA,NA
+"6388","(E)-2-Cyano-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Cyano-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enamide",NA,"C1=CN(C(=S)NC1=O)C=C(C#N)C(=O)N","LAHVLIKAAQJWKW-SNAWJCMRSA-N",3004595,NA,"PDBC06388","658512","Present",NA,NA
+"6389","(E)-2-Cyano-3-[(2,6-dimethylphenyl)carbamothioylamino]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Cyano-3-[(2,6-dimethylphenyl)carbamothioylamino]prop-2-enamide",NA,"CC1=C(C(=CC=C1)C)NC(=S)NC=C(C#N)C(=O)N","JWYYDZJSFZEWGW-JXMROGBWSA-N",3004599,NA,"PDBC06389","658793","Present",NA,NA
+"6390","(E)-2-Cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-5-yl)prop-2-enoyl]amino]butyl]-3-(1H-indol-5-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-N-(4-((2-cyano-3-(1H-indol-5-yl)acryloyl)amino)butyl)-3-(1H-indol-5-yl)acrylamide",NA,"C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=O)NCCCCNC(=O)C(=CC3=CC4=C(C=C3)NC=C4)C#N","JXPXWTUBJJVAJX-DFEHQXHXSA-N",5467319,NA,"PDBC06390","650562","Present",NA,NA
+"6391","(E)-2-Dibutoxyphosphoryl-3-(2-furyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Dibutoxyphosphoryl-3-(2-furyl)prop-2-enenitrile",NA,"CCCCOP(=O)(C(=CC1=CC=CO1)C#N)OCCCC","ZMOVJJIZVIPLSQ-NTCAYCPXSA-N",5467591,NA,"PDBC06391","656174","Present",NA,NA
+"6392","(E)-2-Diethoxyphosphoryl-3-(1-isobutylpyrrol-2-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-(1-isobutylpyrrol-2-yl)prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=CC=CN1CC(C)C)C#N)OCC","BWTVKNHMWYVVPR-XNTDXEJSSA-N",5468973,NA,"PDBC06392","680521","Present",NA,NA
+"6393","(E)-2-Diethoxyphosphoryl-3-(1-methylimidazol-2-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-(1-methylimidazol-2-yl)prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=NC=CN1C)C#N)OCC","DOHQHQVDIQPXAZ-CSKARUKUSA-N",5468627,NA,"PDBC06393","673092","Present",NA,NA
+"6394","(E)-2-Diethoxyphosphoryl-3-(1-methylimidazol-4-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-(1-methylimidazol-4-yl)prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=CN(C=N1)C)C#N)OCC","FYKWGDXHIJLWPY-IZZDOVSWSA-N",5468970,NA,"PDBC06394","680518","Present",NA,NA
+"6395","(E)-2-Diethoxyphosphoryl-3-(1H-imidazol-2-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-(1H-imidazol-2-yl)prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=NC=CN1)C#N)OCC","MJKRQKCIYFFRJR-VQHVLOKHSA-N",5468614,NA,"PDBC06395","672867","Present",NA,NA
+"6396","(E)-2-Diethoxyphosphoryl-3-(1H-imidazol-5-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-(1H-imidazol-5-yl)prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=CN=CN1)C#N)OCC","OUQOCZAVCNIIPK-BJMVGYQFSA-N",5468608,NA,"PDBC06396","672861","Present",NA,NA
+"6397","(E)-2-Diethoxyphosphoryl-3-(2,5-dihydroxyphenyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-(2,5-dihydroxyphenyl)prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=C(C=CC(=C1)O)O)C#N)OCC","RRILFFFQVPSWFW-XYOKQWHBSA-N",5467590,NA,"PDBC06397","656173","Present",NA,NA
+"6398","(E)-2-Diethoxyphosphoryl-3-(2-methyl-1H-imidazol-5-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-(2-methyl-1H-imidazol-5-yl)prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=CN=C(N1)C)C#N)OCC","HVBAQAFOELFWMS-IZZDOVSWSA-N",5468610,NA,"PDBC06398","672863","Present",NA,NA
+"6399","(E)-2-Diethoxyphosphoryl-3-(2-phenyl-1H-imidazol-5-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-(2-phenyl-1H-imidazol-5-yl)prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=CN=C(N1)C2=CC=CC=C2)C#N)OCC","WDNNYKAJTUWOAO-XNTDXEJSSA-N",5468613,NA,"PDBC06399","672866","Present",NA,NA
+"6400","(E)-2-Diethoxyphosphoryl-3-(4-methyl-1H-imidazol-5-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-(4-methyl-1H-imidazol-5-yl)prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=C(NC=N1)C)C#N)OCC","RNZFYCQICSJXAD-UXBLZVDNSA-N",5468609,NA,"PDBC06400","672862","Present",NA,NA
+"6401","(E)-2-Diethoxyphosphoryl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-(5,7-dimethyl-4-oxo-chromen-3-yl)prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=COC2=CC(=CC(=C2C1=O)C)C)C#N)OCC","YJYIOTQCLFCVSW-OQLLNIDSSA-N",5468617,NA,"PDBC06401","672870","Present",NA,NA
+"6402","(E)-2-Diethoxyphosphoryl-3-[5-(2,4-difluorophenyl)-2-furyl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Diethoxyphosphoryl-3-[5-(2,4-difluorophenyl)-2-furyl]prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=CC=C(O1)C2=C(C=C(C=C2)F)F)C#N)OCC","FYDLMUQEIBJKOB-GXDHUFHOSA-N",5468612,NA,"PDBC06402","672865","Present",NA,NA
+"6403","(E)-2-Methyl-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]but-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Methyl-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]but-2-en-1-one",NA,"CC=C(C)C(=O)N1C(CC2=CC=CC=C21)C3=C(NC4=CC=CC=C43)C","ADJKOMYUQDNKDG-LNKIKWGQSA-N",5388204,NA,"PDBC06403","633484","Present",NA,NA
+"6404","(E)-2-Methyl-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Methyl-3-phenyl-1-(2,4,6-trimethylphenyl)prop-2-en-1-one",NA,"CC1=CC(=C(C(=C1)C)C(=O)C(=CC2=CC=CC=C2)C)C","UYTGLHFANVAMML-FOWTUZBSSA-N",5466858,NA,"PDBC06404","644639","Present",NA,NA
+"6405","(E)-2-Methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Methyl-5-morpholin-4-yl-1-phenylpent-1-en-3-one;hydrochloride",NA,"CC(=CC1=CC=CC=C1)C(=O)CCN2CCOCC2.Cl","RYKXRRUMCTUJKO-IERUDJENSA-N",5386794,NA,"PDBC06405","617822","Present",NA,NA
+"6406","(E)-2-Methyl-5-propan-2-ylnon-6-ene-1,8-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Methyl-5-propan-2-ylnon-6-ene-1,8-diol",NA,"CC(C)C(CCC(C)CO)C=CC(C)O","KMASBAKBQVORTA-SOFGYWHQSA-N",5387061,NA,"PDBC06406","620053","Present",NA,NA
+"6407","(E)-2-Trimethylsilyloxypent-3-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-Trimethylsilyloxypent-3-enenitrile",NA,"CC=CC(C#N)O[Si](C)(C)C","WWNMTKNCFACRKM-AATRIKPKSA-N",5386765,NA,"PDBC06407","617599","Present",NA,NA
+"6408","(E)-2-[(3,4-Dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-2-[(E)-2-phenylethenyl]pent-3-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-[(3,4-Dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-2-[(E)-2-phenylethenyl]pent-3-enenitrile",NA,"CC=CC(C=CC1=CC=CC=C1)(C#N)OP2(=O)N(C(C(O2)C3=CC=CC=C3)C)C","MJIPRGAFEPJHRL-SEWRQBDWSA-N",5471497,NA,"PDBC06408","711760","Present",NA,NA
+"6409","(E)-2-[(4-Chlorophenyl)methylsulfinyl]-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-((4-chlorobenzyl)sulfinyl)-3-(4-nitrophenyl)-1-(p-...",NA,"CC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)CC3=CC=C(C=C3)Cl","CJGGNYIEPRCFCL-HYARGMPZSA-N",155814240,NA,"PDBC06409","798975","Present",NA,NA
+"6410","(E)-2-[(4-Fluorophenyl)methylsulfinyl]-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-((4-fluorobenzyl)sulfinyl)-3-(4-nitrophenyl)-1-(p-...",NA,"CC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)CC3=CC=C(C=C3)F","QRIXGFZSYNSPRP-HYARGMPZSA-N",155812618,NA,"PDBC06410","798976","Present",NA,NA
+"6411","(E)-2-[1-(4-Chlorophenyl)tetrazol-5-yl]-N,N-dimethylethenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{2-[1-(4-Chloro-phenyl)-1H-tetrazol-5-yl]-vinyl}-dimethy...",NA,"CN(C)C=CC1=NN=NN1C2=CC=C(C=C2)Cl","JEZPNFLAXIIAMB-BQYQJAHWSA-N",5367727,NA,"PDBC06411","723916","Present",NA,NA
+"6412","(E)-2-[3-(Trifluoromethyl)phenoxymethyl]phenyl-3-methoxyprop enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-[3-(trifluoromethyl)phenoxymethyl]phenyl-3-methoxy...",NA,"COC=C(C1=CC=CC=C1COC2=CC=CC(=C2)C(F)(F)F)C(=O)OC","HHJMPMZMPDRRHS-SFQUDFHCSA-N",5472620,NA,"PDBC06412","720481","Present",NA,NA
+"6413","(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(2-hydroxy-4-methoxyphenyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-hydroxy-4-methoxyphenyl)-2-[2-amino-4-(3,5,5-trimet...",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=C(C=C(C=C3)OC)O)C#N","GEYSZRZVHOTDTK-NTUHNPAUSA-N",135436347,NA,"PDBC06413","720627","Present",NA,NA
+"6414","(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(2-hydroxyphenyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-hydroxyphenyl)-2-[2-amino-4-(3,5,5-trimethyl-2-pyra...",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=CC=C3O)C#N","MKHOORUZOBBWIC-MDWZMJQESA-N",135436346,NA,"PDBC06414","720626","Present",NA,NA
+"6415","(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrofuran-2-yl)prop-2-enenitrile",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=C(O3)[N+](=O)[O-])C#N","CBLFDBYGRPRHBO-UXBLZVDNSA-N",5832532,NA,"PDBC06415","696921","Present",NA,NA
+"6416","(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-enenitrile",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=CN3C4=CC(=CC(=C4)Cl)Cl)C#N","GALVMMJUMIYSMH-VGOFMYFVSA-N",6520161,NA,"PDBC06416","704319","Present",NA,NA
+"6417","(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[4-(diethylamino)phenyl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[4-(diethylamino)phenyl]prop-2-enenitrile",NA,"CCN(CC)C1=CC=C(C=C1)C=C(C#N)C2=NC(=NC(=N2)N3C(CC(=N3)C)(C)C)N","HDKGKNKKYRTMRT-SFQUDFHCSA-N",6175750,NA,"PDBC06417","696923","Present",NA,NA
+"6418","(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-pyridin-4-ylprop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-pyridin-4-ylprop-2-enenitrile",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=NC=C3)C#N","KVORLFQBKNOGOP-MDWZMJQESA-N",5955614,NA,"PDBC06418","696922","Present",NA,NA
+"6419","(E)-3'-Hydroxy-3,5,4'-trimethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PICEATANNOL, 4,3',5'-TRIMETHYL,1S0",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)O","UQIWTPQGJCCTPA-SNAWJCMRSA-N",5385086,NA,"PDBC06419","381864","Present",NA,NA
+"6420","(E)-3,3',4,5'-Tetramethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC-24231",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC)OC","PTVAOGIYBMTHSN-AATRIKPKSA-N",5387294,NA,"PDBC06420","622473","Present",NA,NA
+"6421","(E)-3,4,5-Trimethoxy-4'-ethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(4-Ethoxyphenyl)Ethenyl]-1,2,3-Trimethoxy Benzene",NA,"CCOC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","DSXJJVAVIOTERY-VOTSOKGWSA-N",5388060,NA,"PDBC06421","631357","Present",NA,NA
+"6422","(E)-3,5,4'-Trimethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(4-Methoxyphenyl)Ethenyl]-1,3-Dimethoxy Benzene",NA,"COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC)OC","GDHNBPHYVRHYCC-SNAWJCMRSA-N",5388063,NA,"PDBC06422","631363","Present",NA,NA
+"6423","(E)-3-(1,3-Benzodioxol-5-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(1,3-Benzodioxol-5-yl)-1-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-en-1-one",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=CC3=C(C=C2)OCO3","MVZNBDLQQVCBSV-VQHVLOKHSA-N",5471158,NA,"PDBC06423","709102","Present",NA,NA
+"6424","(E)-3-(1,3-Benzodioxol-5-yl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(1,3-Benzodioxol-5-yl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC4=C(C=C3)OCO4","RRLYFJMADFFROG-SOFGYWHQSA-N",5387179,NA,"PDBC06424","621475","Present",NA,NA
+"6425","(E)-3-(1,3-Benzodioxol-5-yl)-1-[2-(3,4-dichloroanilino)-4-methyl-thiazol-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(1,3-Benzodioxol-5-yl)-1-[2-(3,4-dichloroanilino)-4-methyl-thiazol-5-yl]prop-2-en-1-one",NA,"CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C=CC3=CC4=C(C=C3)OCO4","HUWFWRBOYDPAPI-QHHAFSJGSA-N",5467713,NA,"PDBC06425","658148","Present",NA,NA
+"6426","(E)-3-(1-Benzylpyrrol-2-yl)-2-diethoxyphosphoryl-prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(1-Benzylpyrrol-2-yl)-2-diethoxyphosphoryl-prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=CC=CN1CC2=CC=CC=C2)C#N)OCC","DEHUQKQGJQNRIS-QGOAFFKASA-N",5468974,NA,"PDBC06426","680522","Present",NA,NA
+"6427","(E)-3-(1-Methylimidazol-4-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(1-Methylimidazol-4-yl)prop-2-enenitrile",NA,"CN1C=C(N=C1)C=CC#N","PMHIMCKAMYEWRD-NSCUHMNNSA-N",5468971,NA,"PDBC06427","680519","Present",NA,NA
+"6428","(E)-3-(1-Tosyl-3alpha-methylaziridine-2alpha-yl)acrylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-[(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]prop-2-enoate",NA,"CC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C=CC(=O)OC","CCBZBLUNHZKKAA-XHSPCEQESA-N",11970079,NA,"PDBC06428","664247","Present",NA,NA
+"6429","(E)-3-(1-Tosyl-3alpha-methylaziridine-2beta-yl)acrylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-[(2S,3S)-3-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]prop-2-enoate",NA,"CC1C(N1S(=O)(=O)C2=CC=C(C=C2)C)C=CC(=O)OC","CCBZBLUNHZKKAA-XVFJYHAQSA-N",11970080,NA,"PDBC06429","664249","Present",NA,NA
+"6430","(E)-3-(2,2'-Spirobi[indane]-5'-yl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,2'-spirobi[indane]-5'-yl)prop-2-enoic acid",NA,"C1C2=C(CC13CC4=CC=CC=C4C3)C=C(C=C2)C=CC(=O)O","QDUPLBCEMNFINR-SOFGYWHQSA-N",6053228,NA,"PDBC06430","670416","Present",NA,NA
+"6431","(E)-3-(2,3-Dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,3-Dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=C(C(=CC=C3)Cl)Cl","IVWMFMSQOZFDKJ-CSKARUKUSA-N",5992706,NA,"PDBC06431","729529","Present",NA,NA
+"6432","(E)-3-(2,3-Difluoro-4,5-dihydroxyphenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,3-Difluoro-4,5-dihydroxyphenyl)-1-(2,4-dimethoxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2F)F)O)O)OC","DLHFKCWLKHMAAO-ZZXKWVIFSA-N",5471284,NA,"PDBC06432","710268","Present",NA,NA
+"6433","(E)-3-(2,4-Dichlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,4-Dichlorophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one",NA,"CSC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl","HNKYXQXCZQBYNM-WEVVVXLNSA-N",19824717,NA,"PDBC06433","734473","Present",NA,NA
+"6434","(E)-3-(2,4-Dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,4-Dichlorophenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=C(C=C(C=C3)Cl)Cl","UMWUIWAFLCARLS-RMKNXTFCSA-N",7947301,NA,"PDBC06434","733143","Present",NA,NA
+"6435","(E)-3-(2,4-Dichlorophenyl)-1-[2-(4-ethoxyanilino)-4-methyl-thiazol-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,4-Dichlorophenyl)-1-[2-(4-ethoxyanilino)-4-methyl-thiazol-5-yl]prop-2-en-1-one",NA,"CCOC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C=CC3=C(C=C(C=C3)Cl)Cl)C","QYXSTIHICCBGGU-VZUCSPMQSA-N",6090881,NA,"PDBC06435","640548","Present",NA,NA
+"6436","(E)-3-(2,4-Dichlorophenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,4-Dichlorophenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one",NA,"CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C=CC3=C(C=C(C=C3)Cl)Cl","ZIEQDCXJDPTYMX-FNORWQNLSA-N",5905229,NA,"PDBC06436","640580","Present",NA,NA
+"6437","(E)-3-(2,4-Dichlorophenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,4-dichlorophenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=C(C=C(C=C4)Cl)Cl","QJJHBYVNAGTFQD-BHJMIJSQSA-N",118245698,NA,"PDBC06437","784216","Present",NA,NA
+"6438","(E)-3-(2,4-Dioxo-1H-pyrimidin-5-yl)-N,N-dimethylprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,4-Dioxo-1H-pyrimidin-5-yl)-N,N-dimethylprop-2-enamide",NA,"CN(C)C(=O)C=CC1=CNC(=O)NC1=O","TYFMCACWXPVVNP-ONEGZZNKSA-N",5925971,NA,"PDBC06438","220471","Present",NA,NA
+"6439","(E)-3-(2,5-Dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,5-Dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=C(C=CC(=C3)OC)OC","ZMGNNUJRZMPNER-JXMROGBWSA-N",24203887,NA,"PDBC06439","729978","Present",NA,NA
+"6440","(E)-3-(2-(3,2-a]Pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl...",NA,"COC1=C(C=C(C=C1)C2=C(N3C=CC=CC3=N2)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","WTHHLVNJLOEQAJ-ZHACJKMWSA-N",54613357,NA,"PDBC06440","750340","Present",NA,NA
+"6441","(E)-3-(2-(4-Chlorophenylamino)pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-(4-chlorophenylamino)pyridin-3-yl)-1-(3,4,5-tri...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=CC=C2)NC3=CC=C(C=C3)Cl","NGRZCJZLFCNELT-IZZDOVSWSA-N",117992518,NA,"PDBC06441","761398","Present",NA,NA
+"6442","(E)-3-(2-(4-Methoxyphenyl) imidazo [1,4,5-trimethoxyphenyl) prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-(4-methoxyphenyl) imidazo [1,2-a] pyrimidin-3-y...",NA,"COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","HEVFCWNFRYDGGC-ZHACJKMWSA-N",54613710,NA,"PDBC06442","750337","Present",NA,NA
+"6443","(E)-3-(2-(4-Methoxyphenyl)imidazo[1,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl)-1-...",NA,"COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","CIDZKWOVODJXSE-OUKQBFOZSA-N",54613570,NA,"PDBC06443","750335","Present",NA,NA
+"6444","(E)-3-(2-(4-Methoxyphenylamino) pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-(4-methoxyphenylamino)pyridin-3-yl)-1-(3,4,5-tr...",NA,"COC1=CC=C(C=C1)NC2=C(C=CC=N2)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","YHEFIVSOBXVSLS-KPKJPENVSA-N",117992405,NA,"PDBC06444","756886","Present",NA,NA
+"6445","(E)-3-(2-(Phenylamino)pyridin-3-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-(phenylamino)pyridin-3-yl)-1-(3,4,5-trimethoxyp...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=CC=C2)NC3=CC=CC=C3","IACCHZHJDCQFEA-VAWYXSNFSA-N",91668203,NA,"PDBC06445","761397","Present",NA,NA
+"6446","(E)-3-(2-(Thiophen-2-yl)imidazo[1,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-(thiophen-2-yl)imidazo[1,2-a]pyridin-3-yl)-1-(3...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CC=C3)C4=CC=CS4","LDBZKFFBAQXGJK-MDZDMXLPSA-N",54613429,NA,"PDBC06446","750745","Present",NA,NA
+"6447","(E)-3-(2-Chloro-5-nitrophenyl)-1-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Chloro-5-nitrophenyl)-1-phenylprop-2-en-1-one",NA,"C1=CC=C(C=C1)C(=O)C=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl","NCMCPJIKYTWGOK-RMKNXTFCSA-N",5349234,NA,"PDBC06447","93287","Present",NA,NA
+"6448","(E)-3-(2-Chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Chlorophenyl)-1-(3,4-dichlorophenyl)prop-2-en-1-one",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl","KXZODUXKLAXGEN-SOFGYWHQSA-N",5897549,NA,"PDBC06448","640529","Present",NA,NA
+"6449","(E)-3-(2-Chlorophenyl)-1-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Chlorophenyl)-1-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC=CC=C3Cl","JBEIDDVYGJSQLK-CMDGGOBGSA-N",5387188,NA,"PDBC06449","621485","Present",NA,NA
+"6450","(E)-3-(2-Chlorophenyl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Chlorophenyl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3Cl","DVOYXNLCQYKVCW-ZHACJKMWSA-N",5387185,NA,"PDBC06450","621481","Present",NA,NA
+"6451","(E)-3-(2-Chlorophenyl)-N-(8-nitro-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Chlorophenyl)-N-(8-nitro-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)prop-2-enamide",NA,"C1C(C=NC2=C(N1)C=C(C=C2)[N+](=O)[O-])NC(=O)C=CC3=CC=CC=C3Cl","ZSBKLLNHGJSWKZ-VMPITWQZSA-N",6186725,NA,"PDBC06451","636997","Present",NA,NA
+"6452","(E)-3-(2-Ethyl-6-fluoro-4-oxo-3-phenethyl-3,4-dihydroquinazoline-7-yl)-N-hydroxyacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-ethyl-6-fluoro-4-oxo-3-phenethyl-3,4-dihydroqui...",NA,"CCC1=NC2=C(C=C(C(=C2)C=CC(=O)NO)F)C(=O)N1CCC3=CC=CC=C3","RGKDACUEVSPDNA-CMDGGOBGSA-N",71811294,NA,"PDBC06452","787278","Present",NA,NA
+"6453","(E)-3-(2-Ethyl-7-fluoro-4-oxo-3-phenethyl-3,4-dihydroquinazoline-6-yl)-N-hydroxyacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-ethyl-7-fluoro-4-oxo-3-phenethyl-3,4-dihydroqui...",NA,"CCC1=NC2=C(C=C(C(=C2)F)C=CC(=O)NO)C(=O)N1CCC3=CC=CC=C3","NAMOJMZBPJZNOD-CMDGGOBGSA-N",71811295,NA,"PDBC06453","787285","Present",NA,NA
+"6454","(E)-3-(2-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])F","WYZNBSVYZOTWGY-JXMROGBWSA-N",5387272,NA,"PDBC06454","622316","Present",NA,NA
+"6455","(E)-3-(2-Fluorophenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-fluorophenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-meth...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=CC=CC=C4F","KKKXSMZIRCRDAF-SIGOGWIOSA-N",155815072,NA,"PDBC06455","797585","Present",NA,NA
+"6456","(E)-3-(2-Furyl)-1-[1-[2-(4-methoxyphenyl)-2-oxo-ethyl]benzimidazol-2-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Furyl)-1-[1-[2-(4-methoxyphenyl)-2-oxo-ethyl]benzimidazol-2-yl]prop-2-en-1-one",NA,"COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C=CC4=CC=CO4","AWSZJALLOMQCJH-OUKQBFOZSA-N",5471212,NA,"PDBC06456","709474","Present",NA,NA
+"6457","(E)-3-(2-Furyl)-1-[6-[(E)-3-(2-furyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenone, 1,1'-(2,5-pyridinediyl)bis[3-(2-furanyl)-",NA,"C1=CC(=NC(=C1)C(=O)C=CC2=CC=CO2)C(=O)C=CC3=CC=CO3","UHQYWSWBZUNOOZ-GFULKKFKSA-N",5470458,NA,"PDBC06457","702047","Present",NA,NA
+"6458","(E)-3-(2-Hydroxy-1-naphthyl)-1-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Hydroxy-1-naphthyl)-1-(4-nitrophenyl)prop-2-en-1-one",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O","IATWJBXMYUEPMS-ZRDIBKRKSA-N",5938076,NA,"PDBC06458","636987","Present",NA,NA
+"6459","(E)-3-(2-Hydroxyphenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Hydroxyphenyl)-1-(2-methyl-1H-indol-3-yl)prop-2-en-1-one",NA,"CC1=C(C2=CC=CC=C2N1)C(=O)C=CC3=CC=CC=C3O","BIMDLCULOMFPAJ-ZHACJKMWSA-N",5387165,NA,"PDBC06459","621377","Present",NA,NA
+"6460","(E)-3-(2-Hydroxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Hydroxyphenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC(=CC=C2)O)O","KAMRNYCNWDARJA-CMDGGOBGSA-N",5885438,NA,"PDBC06460","636810","Present",NA,NA
+"6461","(E)-3-(2-Hydroxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Hydroxyphenyl)-1-(4-nitrophenyl)prop-2-en-1-one",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])O","USKFJPLTNCKQRC-JXMROGBWSA-N",6062685,NA,"PDBC06461","637688","Present",NA,NA
+"6462","(E)-3-(2-Hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-3-(2-Hydroxyphenyl)-1-pyridin-3-ylprop-2-en-1-one",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CN=CC=C2)O","XTWJHAQBORZNOB-BQYQJAHWSA-N",5387155,NA,"PDBC06462","621363","Present",NA,NA
+"6463","(E)-3-(2-Methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Methoxynaphthalen-1-yl)-1-phenylprop-2-en-1-one",NA,"COC1=C(C2=CC=CC=C2C=C1)C=CC(=O)C3=CC=CC=C3","IUVAYOLBKVEQQG-OUKQBFOZSA-N",5351689,NA,"PDBC06463","19039","Present",NA,NA
+"6464","(E)-3-(2-Methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one",NA,"CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C=CC3=CC=CC=C3OC","AXCXJQBGGWRTMD-MDZDMXLPSA-N",6290410,NA,"PDBC06464","640578","Present",NA,NA
+"6465","(E)-3-(2-Methyl-6-(thiophen-2-yl)imidazo[2,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-methyl-6-(thiophen-2-yl)imidazo[2,1-b]thiazol-5...",NA,"CC1=CN2C(=C(N=C2S1)C3=CC=CS3)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","FQDIUBNHGMVVAB-BQYQJAHWSA-N",54613218,NA,"PDBC06465","750744","Present",NA,NA
+"6466","(E)-3-(2-Thienyl)-1-[4-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Thienyl)-1-[4-[(E)-3-(2-thienyl)prop-2-enoyl]phenyl]prop-2-en-1-one",NA,"C1=CSC(=C1)C=CC(=O)C2=CC=C(C=C2)C(=O)C=CC3=CC=CS3","AWFKHBXZPFZQCK-WGDLNXRISA-N",5333079,NA,"PDBC06466","657771","Present",NA,NA
+"6467","(E)-3-(2-Thienyl)-1-[6-[(E)-3-(2-thienyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-Thienyl)-1-[6-[(E)-3-(2-thienyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one",NA,"C1=CC(=NC(=C1)C(=O)C=CC2=CC=CS2)C(=O)C=CC3=CC=CS3","JXBUPEYXXASESD-GFULKKFKSA-N",5470457,NA,"PDBC06467","702046","Present",NA,NA
+"6468","(E)-3-(3,4,5-Trihydroxy-6-oxo-xanthen-9-yl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Xanthene-9-acrylic acid, 4,5,6-trihydroxy-3-oxo, (Z)-",NA,"C1=CC(=C(C2=C1C(=C3C=CC(=O)C(=C3O2)O)C=CC(=O)O)O)O","HVUVBNCTBKJHHZ-ZZXKWVIFSA-N",54686376,NA,"PDBC06468","119911","Present",NA,NA
+"6469","(E)-3-(3,4-Dichlorophenyl)-1-[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]prop-2-en-1-one;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3,4-Dichlorophenyl)-1-[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]-1-ethyl-4-hydroxy-1-methylpiperidin-1-ium-3-yl]prop-2-en-1-one;bromide",NA,"CC[N+]1(CCC(C(C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)(C=CC3=CC(=C(C=C3)Cl)Cl)O)C.[Br-]","WBIIKTDOICRQJB-PQPHWNMUSA-M",5468156,NA,"PDBC06469","665626","Present",NA,NA
+"6470","(E)-3-(3,4-Dihydroxyphenyl)-N-(1H-indol-3-ylmethyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3,4-Dihydroxyphenyl)-N-(1H-indol-3-ylmethyl)prop-2-enamide",NA,"C1=CC=C2C(=C1)C(=CN2)CNC(=O)C=CC3=CC(=C(C=C3)O)O","NUXGIUUWICLHAH-SOFGYWHQSA-N",24202754,NA,"PDBC06470","725900","Present",NA,NA
+"6471","(E)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-phenylphenyl)ethyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3,4-Dihydroxyphenyl)-N-[2-(4-phenylphenyl)ethyl]prop-2-enamide",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)CCNC(=O)C=CC3=CC(=C(C=C3)O)O","MRRLFAJFMMGXQR-UKTHLTGXSA-N",5473235,NA,"PDBC06471","724607","Present",NA,NA
+"6472","(E)-3-(3,4-Dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3,4-Dimethoxyphenyl)-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)OC)OC","XAPFKURXRAJDRX-ONNFQVAWSA-N",8857297,NA,"PDBC06472","729531","Present",NA,NA
+"6473","(E)-3-(3,4-Dimethoxyphenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3,4-Dimethoxyphenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]prop-2-en-1-one",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC(=C(C=C5)OC)OC","WIXMESWBYYKHRP-JQIJEIRASA-N",5803827,NA,"PDBC06473","640564","Present",NA,NA
+"6474","(E)-3-(3,4-Dimethoxyphenyl)-1-[4-(quinazolin-4-ylamino)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3,4-dimethoxyphenyl)-1-(4-(quinazolin-4-ylamino)p...",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43)OC","YRPMJULDYABSPQ-NTUHNPAUSA-N",127044901,NA,"PDBC06474","760014","Present",NA,NA
+"6475","(E)-3-(3,4-Dimethoxyphenyl)-1-[6-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-2-pyridyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenone, 1,1'-(2,5-pyridinediyl)bis[3-(3,4-dimethoxy...",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=NC(=CC=C2)C(=O)C=CC3=CC(=C(C=C3)OC)OC)OC","BEVKCQHNFCLRSS-QHKWOANTSA-N",5470456,NA,"PDBC06475","702045","Present",NA,NA
+"6476","(E)-3-(3,5-Dimethoxyphenyl)-1-[4-(quinazolin-4-ylamino)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3,5-dimethoxyphenyl)-1-(4-(quinazolin-4-ylamino)p...",NA,"COC1=CC(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)NC3=NC=NC4=CC=CC=C43)OC","CIZWETHCDPPGCP-KPKJPENVSA-N",155808311,NA,"PDBC06476","760016","Present",NA,NA
+"6477","(E)-3-(3,5-Ditert-butyl-4-hydroxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3,5-Ditert-butyl-4-hydroxyphenyl)-2-(4,5-dihydro-1,3-oxazol-2-yl)prop-2-enenitrile",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C2=NCCO2","PPKMXZRKRRVNTN-NTEUORMPSA-N",135436125,NA,"PDBC06477","709113","Present",NA,NA
+"6478","(E)-3-(3-(3,4-Dimethoxyphenyl)-1H-pyrazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl)-1-(3,4,5...",NA,"COC1=C(C=C(C=C1)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC)OC","OUGBBVPYJAEYDC-BQYQJAHWSA-N",117928249,NA,"PDBC06478","774980","Present",NA,NA
+"6479","(E)-3-(3-Amino-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-amino-4-methoxyphenyl)-1-(4-phenylpiperazin-1-y...",NA,"COC1=C(C=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4)N","QSDIYOAWYZLBOS-XQNSMLJCSA-N",155808713,NA,"PDBC06479","791055","Present",NA,NA
+"6480","(E)-3-(3-Amino-4-methoxyphenyl)-1-[4-(4-methylphenyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-amino-4-methoxyphenyl)-1-(4-(p-tolyl)piperazin-...",NA,"CC1=CC=C(C=C1)N2CCN(CC2)C(=O)C(=CC3=CC(=C(C=C3)OC)N)C4=CC(=C(C(=C4)OC)OC)OC","GPEAJFNUESESOH-LFVJCYFKSA-N",155813244,NA,"PDBC06480","795434","Present",NA,NA
+"6481","(E)-3-(3-Amino-4-methoxyphenyl)-1-pyrrolidin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-amino-4-methoxyphenyl)-1-(pyrrolidin-1-yl)-2-(3...",NA,"COC1=C(C=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCCC3)N","UTXZXWQBZBYKIN-GZTJUZNOSA-N",155815225,NA,"PDBC06481","795433","Present",NA,NA
+"6482","(E)-3-(3-Aminophenyl)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]prop-2-en-1-one;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-Aminophenyl)-1-[4-(2-benzhydryloxyethyl)piperazin-1-yl]prop-2-en-1-one;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C=CC4=CC(=CC=C4)N.C(=CC(=O)O)C(=O)O","KLAPCGDYLMFHCJ-YJBXQRLDSA-N",5471050,NA,"PDBC06482","707827","Present",NA,NA
+"6483","(E)-3-(3-Hydroxy-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(4-phenylpiperazin-1...",NA,"COC1=C(C=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCN(CC3)C4=CC=CC=C4)O","GCBUTRDTRUBUGV-XQNSMLJCSA-N",155813314,NA,"PDBC06483","791047","Present",NA,NA
+"6484","(E)-3-(3-Hydroxy-4-methoxyphenyl)-1-piperazin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-hydroxy-4-methoxyphenyl)-1-(piperazin-1-yl)-2-(...",NA,"COC1=C(C=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCNCC3)O","NIZIKFLHOVXCIV-GZTJUZNOSA-N",155807360,NA,"PDBC06484","788811","Present",NA,NA
+"6485","(E)-3-(3-Methoxy-4-phenylmethoxycarbonylphenyl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-Methoxy-4-phenylmethoxycarbonylphenyl)prop-2-enoic acid",NA,"COC1=C(C=CC(=C1)C=CC(=O)O)C(=O)OCC2=CC=CC=C2","ICYLBQCKVLYEQP-CSKARUKUSA-N",5936470,NA,"PDBC06485","626882","Present",NA,NA
+"6486","(E)-3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E) 3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2...",NA,"COC1=CC=CC(=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O","ROTYWNACOYVHOD-OQLLNIDSSA-N",5388750,NA,"PDBC06486","638405","Present",NA,NA
+"6487","(E)-3-(3-Methoxyphenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-methoxyphenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-met...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=CC(=CC=C4)OC","GIHYBEFRNLREGZ-BSDSBLNBSA-N",155805574,NA,"PDBC06487","797584","Present",NA,NA
+"6488","(E)-3-(4,5-Dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dienyl)-2-methylpropenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dienyl...",NA,"CC1=C(C(=O)C(=C(C1=O)OC)OC)C=C(C)C(=O)O","HLCWUWGXJOLZGX-AATRIKPKSA-N",25235419,NA,"PDBC06488","741404","Present",NA,NA
+"6489","(E)-3-(4-((4-Tert-butylphenyl)ethynyl)-2-methylphenyl)-2-(2,4-dihydroxystyryl)quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-((4-tert-butylphenyl)ethynyl)-2-methylphenyl)-2...",NA,"CC1=C(C=CC(=C1)C#CC2=CC=C(C=C2)C(C)(C)C)N3C(=NC4=CC=CC=C4C3=O)C=CC5=C(C=C(C=C5)O)O","GOAUYADBDRFEDQ-HMMYKYKNSA-N",136040153,NA,"PDBC06489","753534","Present",NA,NA
+"6490","(E)-3-(4-((6-Methoxynaphthalen-2-yl)ethynyl)-2-methylphenyl)-2-(3,4,5-trimethoxystyryl)quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-((6-methoxynaphthalen-2-yl)ethynyl)-2-methylphe...",NA,"CC1=C(C=CC(=C1)C#CC2=CC3=C(C=C2)C=C(C=C3)OC)N4C(=NC5=CC=CC=C5C4=O)C=CC6=CC(=C(C(=C6)OC)OC)OC","IXIGCONYNCXDQH-XMHGGMMESA-N",60148232,NA,"PDBC06490","754032","Present",NA,NA
+"6491","(E)-3-(4-3-[4-(2-Furylcarbonyl)piperazino]propoxy-3-methoxyphenyl)-1-(2,4-dimethyl-3-quinolyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-3-[4-(2-furylcarbonyl)piperazino]propoxy-3-meth...",NA,"CC1=C(C(=NC2=CC=CC=C12)C)C(=O)C=CC3=CC(=C(C=C3)OCCCN4CCN(CC4)C(=O)C5=CC=CO5)OC","UYYMAVPDWLUQSU-ACCUITESSA-N",45028672,NA,"PDBC06491","743641","Present",NA,NA
+"6492","(E)-3-(4-Bromophenyl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-bromophenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-methy...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=CC=C(C=C4)Br","OSZVZJXPQDXFJB-ZLELDTTNSA-N",155816579,NA,"PDBC06492","797583","Present",NA,NA
+"6493","(E)-3-(4-Chlorophenyl)-1-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Chlorophenyl)-1-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC=C(C=C3)Cl","HEHFEJYUZCENDK-RMKNXTFCSA-N",5387190,NA,"PDBC06493","621488","Present",NA,NA
+"6494","(E)-3-(4-Chlorophenyl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Chlorophenyl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=C(C=C3)Cl","XQRHRCCAMVVIAN-DHZHZOJOSA-N",5387183,NA,"PDBC06494","621479","Present",NA,NA
+"6495","(E)-3-(4-Chlorophenyl)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Chlorophenyl)-1-[1-[2-(4-chlorophenyl)-2-oxo-ethyl]benzimidazol-2-yl]prop-2-en-1-one",NA,"C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)Cl)C(=O)C=CC4=CC=C(C=C4)Cl","SSVXHOFOEAMJAD-VGOFMYFVSA-N",5471206,NA,"PDBC06495","709468","Present",NA,NA
+"6496","(E)-3-(4-Chlorophenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Chlorophenyl)-1-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]prop-2-en-1-one",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)Cl","CDTBUKVBQVDVBD-SAPNQHFASA-N",5905819,NA,"PDBC06496","640566","Present",NA,NA
+"6497","(E)-3-(4-Chlorophenyl)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Chlorophenyl)-1-[4-[(7-chloroquinolin-4-yl)amino]phenyl]prop-2-en-1-one",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)Cl","UHIAYSKMASNTPN-KGVSQERTSA-N",25113941,NA,"PDBC06497","743862","Present",NA,NA
+"6498","(E)-3-(4-Chlorophenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Chlorophenyl)-1-[5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazol-4-yl]prop-2-en-1-one",NA,"CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)C=CC4=CC=C(C=C4)Cl","CRHOWRCLPIUCND-JXMROGBWSA-N",11532324,NA,"PDBC06498","736152","Present",NA,NA
+"6499","(E)-3-(4-Dimethylaminophenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-(4-hydroxyphenyl)- 3-[4-(dimethylamino...",NA,"CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)O","BJWJZTDHDARRCW-LFYBBSHMSA-N",5468166,NA,"PDBC06499","665694","Present",NA,NA
+"6500","(E)-3-(4-Dimethylaminophenyl)-1-[2-[5-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]-4-methyl-thiazol-2-yl]-4-methyl-thiazol-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[4-(Dimethylamino)phenyl]-1-[2-[5-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]prop-2-en-1-one",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)C=CC3=CC=C(C=C3)N(C)C)C)C(=O)C=CC4=CC=C(C=C4)N(C)C","ZPDORVGHQWPLBN-JYFOCSDGSA-N",5939705,NA,"PDBC06500","640572","Present",NA,NA
+"6501","(E)-3-(4-Ethynylphenyl)-2-(3,4,5-trimethoxystyryl)pyrido[2,3-d]pyrimidin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-ethynylphenyl)-2-(3,4,5-trimethoxystyryl)pyrido...",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=NC3=C(C=CC=N3)C(=O)N2C4=CC=C(C=C4)C#C","RNGSCLRVDQEDDI-JLHYYAGUSA-N",117919590,NA,"PDBC06501","766314","Present",NA,NA
+"6502","(E)-3-(4-Ethynylphenyl)-2-(4-hydroxystyryl)pyrido[2,3-d]pyrimidin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-ethynylphenyl)-2-(4-hydroxystyryl)pyrido[2,3-d]...",NA,"C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)C=CC4=CC=C(C=C4)O","XFVOFFUROFYCAW-NTEUORMPSA-N",136949538,NA,"PDBC06502","766334","Present",NA,NA
+"6503","(E)-3-(4-Hydroxy-3,5-di-tert-butylphenyl)-2-cyanoacrylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Hydroxy-3,5-di-tert-butylphenyl)-2-cyanoacrylic acid methyl ester",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C(=O)OC","RTNSFKJJCGPXRP-MDWZMJQESA-N",5471164,NA,"PDBC06503","709112","Present",NA,NA
+"6504","(E)-3-(4-Hydroxy-3-methoxy-phenyl)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Hydroxy-3-methoxy-phenyl)-1-(5-hydroxy-3-phenyl-oxadiazol-3-ium-4-yl)prop-2-en-1-one",NA,"COC1=C(C=CC(=C1)C=CC(=O)C2=[N+](NOC2=O)C3=CC=CC=C3)[O-]","BDAXXNKGVIXEIP-UHFFFAOYSA-N",5469240,NA,"PDBC06504","684701","Present",NA,NA
+"6505","(E)-3-(4-Hydroxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Hydroxyphenyl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one",NA,"CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)C=CC4=CC=C(C=C4)O","WFRNLZBWGXNHIF-JXMROGBWSA-N",24205552,NA,"PDBC06505","736153","Present",NA,NA
+"6506","(E)-3-(4-Methoxyphenyl)-1-(tetrazol-1-yl)-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-methoxyphenyl)-1-(1H-tetrazol-1-yl)-2-(3,4,5-tr...",NA,"COC1=CC=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3C=NN=N3","OZGVASOTLGCXOS-CXUHLZMHSA-N",155809551,NA,"PDBC06506","803364","Present",NA,NA
+"6507","(E)-3-(4-Methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Methoxyphenyl)-1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]prop-2-en-1-one",NA,"CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC","BSNZIAGYYHPTQB-JXMROGBWSA-N",6063589,NA,"PDBC06507","640575","Present",NA,NA
+"6508","(E)-3-(4-Methoxyphenyl)-1-piperidin-1-yl-2-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-methoxyphenyl)-1-(piperidin-1-yl)-2-(3,4,5-trim...",NA,"COC1=CC=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)N3CCCCC3","QVKJAYNQCVVQQB-XSFVSMFZSA-N",155807406,NA,"PDBC06508","795432","Present",NA,NA
+"6509","(E)-3-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E) 2-(3,4,5-Trimethoxyphenyl)-4'-methoxycinnamic acid",NA,"COC1=CC=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O","ZMGMHAQNBAGRKD-OQLLNIDSSA-N",5388780,NA,"PDBC06509","638500","Present",NA,NA
+"6510","(E)-3-(4-Methylthiophen-2-yl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Methylthiophen-2-yl)-1-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]prop-2-en-1-one",NA,"CC1=CSC(=C1)C=CC(=O)C2=C(N(N=N2)C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C","AWOISRJICMTRJL-VOTSOKGWSA-N",24205553,NA,"PDBC06510","736154","Present",NA,NA
+"6511","(E)-3-(4-Oxo-3,1-benzoxazin-2-yl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Oxo-3,1-benzoxazin-2-yl)prop-2-enoic acid",NA,"C1=CC=C2C(=C1)C(=O)OC(=N2)C=CC(=O)O","GMUSMKUVPHWJFS-AATRIKPKSA-N",5387422,NA,"PDBC06511","623517","Present",NA,NA
+"6512","(E)-3-(5H-Pyrrolo[2,3-b]pyrazin-7-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-propenamide, 3-(4H-pyrrolo[2,3-b]pyrazin-7-yl)-",NA,"C1=CN=C2C(=N1)C(=CN2)C=CC(=O)N","YSOUJGPFYLDVIC-OWOJBTEDSA-N",5898624,NA,"PDBC06512","217906","Present",NA,NA
+"6513","(E)-3-(6-(3,1-b]Thiazol-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(6-(3,4-dimethoxyphenyl)imidazo[2,1-b]thiazol-5-yl...",NA,"COC1=C(C=C(C=C1)C2=C(N3C=CSC3=N2)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","BWSNMPVIPGQHDI-BQYQJAHWSA-N",54613531,NA,"PDBC06513","750741","Present",NA,NA
+"6514","(E)-3-(6-(4-Methoxyphenyl)-2-methylimidazo [2,4,5-trimethoxyphenyl) prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(6-(4-methoxyphenyl)-2-methylimidazo [2,1-b] thiaz...",NA,"CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)OC)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","BZNCCKCOVXYWGE-ZHACJKMWSA-N",51353353,NA,"PDBC06514","750742","Present",NA,NA
+"6515","(E)-3-(6-(Thiophen-2-yl)imidazo[2,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(6-(thiophen-2-yl)imidazo[2,1-b]thiazol-5-yl)-1-(3...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CS3)C4=CC=CS4","OASOYSSGCAOVFK-VOTSOKGWSA-N",50908742,NA,"PDBC06515","750743","Present",NA,NA
+"6516","(E)-3-(7-Chloro-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6/7-chloro-3-methyl-1,4-dioxy-quinoxalin-2-yl)-1-(3,4...",NA,"CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","AOZCZOWIVXWKDJ-BQYQJAHWSA-N",53362836,NA,"PDBC06516","749075","Present",NA,NA
+"6517","(E)-3-(7-Methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(7-methoxy-3-methyl-1,4-dioxy-quinoxalin-2-yl)-1-(3,4,...",NA,"CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","XXUQPSZTHDJUOY-CMDGGOBGSA-N",53362835,NA,"PDBC06517","749076","Present",NA,NA
+"6518","(E)-3-(9-Oxoacridin-10-yl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(9-Oxoacridin-10-yl)prop-2-enoic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3N2C=CC(=O)O","QCQZQTBAJDIMLO-MDZDMXLPSA-N",6069984,NA,"PDBC06518","646649","Present",NA,NA
+"6519","(E)-3-(Benzenesulfonyl)-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(Benzenesulfonyl)-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one",NA,"CC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","JJQIPGIVCYFALT-XQNSMLJCSA-N",54613201,NA,"PDBC06519","749023","Present",NA,NA
+"6520","(E)-3-(Bromomethyl)-1,2,6,7-tetrachloro-7-methyloct-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(Bromomethyl)-1,2,6,7-tetrachloro-7-methyloct-2-ene",NA,"CC(C)(C(CCC(=C(CCl)Cl)CBr)Cl)Cl","UIGXZKYHJGKJFU-BQYQJAHWSA-N",5468475,NA,"PDBC06520","670806","Present",NA,NA
+"6521","(E)-3-(Bromomethyl)-1,2,6-trichloro-7-methyloct-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(Bromomethyl)-1,2,6-trichloro-7-methyloct-2-ene",NA,"CC(C)C(CCC(=C(CCl)Cl)CBr)Cl","RKFUUOCSKVSRRP-CSKARUKUSA-N",5468478,NA,"PDBC06521","670811","Present",NA,NA
+"6522","(E)-3-(Bromomethyl)-1,2-dichloro-7-methyloct-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(Bromomethyl)-1,2-dichloro-7-methyloct-2-ene",NA,"CC(C)CCCC(=C(CCl)Cl)CBr","ZJALXZAHUYDTJK-MDZDMXLPSA-N",5468474,NA,"PDBC06522","670799","Present",NA,NA
+"6523","(E)-3-(Furan-2-yl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(Furan-2-yl)-1-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)prop-2-en-1-one",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CO3","IJDNCNRAXYJMHX-CMDGGOBGSA-N",5387184,NA,"PDBC06523","621480","Present",NA,NA
+"6524","(E)-3-Amino-2-cyano-N-methyl-3-(4-methylpiperazin-1-yl)prop-2-enethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Amino-2-cyano-N-methyl-3-(4-methylpiperazin-1-yl)prop-2-enethioamide",NA,"CNC(=S)C(=C(N)N1CCN(CC1)C)C#N","BMXMHGCHHFOGAT-CMDGGOBGSA-N",3005209,NA,"PDBC06524","682880","Present",NA,NA
+"6525","(E)-3-Amino-3-[(2-chlorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Amino-3-[(2-chlorophenyl)methylsulfanyl]-2-(4-methoxyphenyl)prop-2-enenitrile",NA,"COC1=CC=C(C=C1)C(=C(N)SCC2=CC=CC=C2Cl)C#N","HSOASQDLMMHTFW-ICFOKQHNSA-N",3004107,NA,"PDBC06525","628517","Present",NA,NA
+"6526","(E)-3-Amino-N-(4-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Amino-N-(4-chlorophenyl)-2-cyano-3-(4-methylpiperazin-1-yl)prop-2-enamide",NA,"CN1CCN(CC1)C(=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)N","SXNIUWWJBVJXFA-BUHFOSPRSA-N",3005447,NA,"PDBC06526","700473","Present",NA,NA
+"6527","(E)-3-Chloro-2,3-bis(3,4-dimethoxyphenyl)-N,N-dimethylprop-2-en-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2,3-bis(3,4-dimethoxyphenyl)-N,N-dimethylprop-2-en-1-amine",NA,"CN(C)CC(=C(C1=CC(=C(C=C1)OC)OC)Cl)C2=CC(=C(C=C2)OC)OC","PACQILDXNKWFSS-PGMHBOJBSA-N",5386810,NA,"PDBC06527","623181","Present",NA,NA
+"6528","(E)-3-Chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenal, 3-chloro-2,3-bis(3,4-dimethoxyphenyl)-",NA,"COC1=C(C=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C=O)OC","WFAINMQUZRDRQU-RGEXLXHISA-N",3001008,NA,"PDBC06528","618121","Present",NA,NA
+"6529","(E)-3-Chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2,3-bis(3,4-dimethoxyphenyl)prop-2-enenitrile",NA,"COC1=C(C=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C#N)OC","FGVDBFYGSBZBFI-RGEXLXHISA-N",3005188,NA,"PDBC06529","681108","Present",NA,NA
+"6530","(E)-3-Chloro-2,3-bis(3-methoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2,3-bis(3-methoxyphenyl)prop-2-enal",NA,"COC1=CC=CC(=C1)C(=C(C2=CC(=CC=C2)OC)Cl)C=O","YTWTXVDJVCSVOR-MSUUIHNZSA-N",3004400,NA,"PDBC06530","650592","Present",NA,NA
+"6531","(E)-3-Chloro-2,3-bis(4-methoxyphenyl)acrylaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-501960",NA,"COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C=O","VNRALGZMXHFBPG-MSUUIHNZSA-N",735821,NA,"PDBC06531","618119","Present",NA,NA
+"6532","(E)-3-Chloro-2-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal",NA,"COC1=C(C=C(C=C1)C(=C(C=O)C2=CC(=C(C=C2)Cl)Cl)Cl)OC","LHHYMABXISBAHT-ATVHPVEESA-N",5387399,NA,"PDBC06532","623178","Present",NA,NA
+"6533","(E)-3-Chloro-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)prop-2-enal",NA,"COC1=CC=C(C=C1)C(=C(C=O)C2=CC(=C(C=C2)Cl)Cl)Cl","RZUPFVYISCIGQZ-SSZFMOIBSA-N",5387398,NA,"PDBC06533","623177","Present",NA,NA
+"6534","(E)-3-Chloro-2-(3,4-dimethoxyphenyl)-3-(3,4-dipropoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2-(3,4-dimethoxyphenyl)-3-(3,4-dipropoxyphenyl)prop-2-enal",NA,"CCCOC1=C(C=C(C=C1)C(=C(C=O)C2=CC(=C(C=C2)OC)OC)Cl)OCCC","SOSMMCSSERKRQU-NKFKGCMQSA-N",3004402,NA,"PDBC06534","650594","Present",NA,NA
+"6535","(E)-3-Chloro-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal",NA,"COC1=CC=C(C=C1)C(=C(C=O)C2=CC(=C(C=C2)OC)OC)Cl","ZJCRYHAKXRGHQK-SDXDJHTJSA-N",5387400,NA,"PDBC06535","623179","Present",NA,NA
+"6536","(E)-3-Chloro-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enal",NA,"COC1=C(C=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)Cl)Cl)OC","JCDLDJOVFDZXKD-VKAVYKQESA-N",5386812,NA,"PDBC06536","618116","Present",NA,NA
+"6537","(E)-3-Chloro-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enal",NA,"COC1=CC=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)Cl)Cl","IPXFLQLMWRYNPK-NXVVXOECSA-N",5386813,NA,"PDBC06537","618120","Present",NA,NA
+"6538","(E)-3-Chloro-2-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2-(4-ethoxyphenyl)-3-(4-methoxyphenyl)prop-2-enal",NA,"CCOC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C=O","BCYMNMSQJIBWRH-ZCXUNETKSA-N",5387393,NA,"PDBC06538","623172","Present",NA,NA
+"6539","(E)-3-Chloro-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enal",NA,"COC1=CC=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)F)Cl","DADGKXVUMYDSAA-NXVVXOECSA-N",5387394,NA,"PDBC06539","623173","Present",NA,NA
+"6540","(E)-3-Chloro-3-(3,4-diethoxyphenyl)-2-(3,4-dimethoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-3-(3,4-diethoxyphenyl)-2-(3,4-dimethoxyphenyl)prop-2-enal",NA,"CCOC1=C(C=C(C=C1)C(=C(C=O)C2=CC(=C(C=C2)OC)OC)Cl)OCC","CDZCOLUKLVIYQS-PGMHBOJBSA-N",3004401,NA,"PDBC06540","650593","Present",NA,NA
+"6541","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enal",NA,"COC1=C(C=C(C=C1)C(=C(C=O)C2=CC(=C(C(=C2)OC)OC)OC)Cl)OC","JKJHXSSWNTZDGL-RGEXLXHISA-N",5387416,NA,"PDBC06541","623234","Present",NA,NA
+"6542","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(3-methoxyphenyl)prop-2-enal",NA,"COC1=C(C=C(C=C1)C(=C(C=O)C2=CC(=CC=C2)OC)Cl)OC","HXCCUGDXENOORV-SDXDJHTJSA-N",3004399,NA,"PDBC06542","650591","Present",NA,NA
+"6543","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-ethoxyphenyl)prop-2-enal",NA,"CCOC1=CC=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C=O","UIIYZXFQIMWKAE-MNDPQUGUSA-N",5387392,NA,"PDBC06543","623171","Present",NA,NA
+"6544","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)prop-2-enal",NA,"COC1=C(C=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)F)Cl)OC","YJEALQZPDPVZST-VKAVYKQESA-N",5387395,NA,"PDBC06544","623174","Present",NA,NA
+"6545","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-methoxyphenyl)prop-2-enal",NA,"COC1=CC=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C=O","FZIJEPNWFRYEPN-SDXDJHTJSA-N",5386811,NA,"PDBC06545","618115","Present",NA,NA
+"6546","(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-3-(3,4-dimethoxyphenyl)-2-(4-nitrophenyl)prop-2-enal",NA,"COC1=C(C=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl)OC","WBCMAZSOQPPOQZ-VKAVYKQESA-N",5387397,NA,"PDBC06546","623176","Present",NA,NA
+"6547","(E)-3-Chloro-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Chloro-3-(4-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enal",NA,"COC1=CC=C(C=C1)C(=C(C=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl","UROLNJHMEXESOH-NXVVXOECSA-N",5387396,NA,"PDBC06547","623175","Present",NA,NA
+"6548","(E)-3-Methylsulfonyl-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Methylsulfonyl-4-(2-phenyl-1H-indol-3-yl)but-3-en-2-one",NA,"CC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)S(=O)(=O)C","YZOLADOWELKGMD-LDADJPATSA-N",54612756,NA,"PDBC06548","748875","Present",NA,NA
+"6549","(E)-3-Phenyl-1-(pyridin-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-PHENYL-1-(2-PYRIDYL)-2-PROPEN-1-ONE///NSC96501",NA,"C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=N2","UYYLCENCUQKANA-MDZDMXLPSA-N",5354119,NA,"PDBC06549","798///96501","Present",NA,NA
+"6550","(E)-3-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-(4-methylbenzoyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-(4-methylbenzoyl)prop-2-enenitrile",NA,"CC1=CC=C(C=C1)C(=O)C(=CNC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C#N","VDVUZQFKGSAEIW-NBVRZTHBSA-N",3005263,NA,"PDBC06550","687611","Present",NA,NA
+"6551","(E)-3-[2-(3,4-Dimethoxyphenyl)-3-(methoxycarbonyl)-7-methoxybenzofuran-5-yl]propenoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1-benzofuran-3-carboxylate",NA,"COC1=C(C=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC)C(=O)OC)OC","YBGVFDLRURHAGE-RMKNXTFCSA-N",5468716,NA,"PDBC06551","675001","Present",NA,NA
+"6552","(E)-3-[2-(4-Fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[2-(4-Fluorophenyl)imidazo[1,2-a]pyrimidin-3-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CC=N3)C4=CC=C(C=C4)F","DREVRAWRNVYXJI-MDZDMXLPSA-N",54612880,NA,"PDBC06552","750336","Present",NA,NA
+"6553","(E)-3-[2-(Trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl)-1-...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CC=C3)C(F)(F)F","NGKGDVUVHQMCBV-BQYQJAHWSA-N",54613013,NA,"PDBC06553","750338","Present",NA,NA
+"6554","(E)-3-[2-Ethyl-3-(4-fluorophenethyl)-4-oxo-3,4-dihydroquinazoline-7-yl]-N-hydroxyacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-ethyl-3-(4-fluorophenethyl)-4-oxo-3,4-dihydroqu...",NA,"CCC1=NC2=C(C=CC(=C2)C=CC(=O)NO)C(=O)N1CCC3=CC=C(C=C3)F","HKISHKJJYBCZQL-UXBLZVDNSA-N",71811262,NA,"PDBC06554","787284","Present",NA,NA
+"6555","(E)-3-[2-Ethyl-3-(4-methoxyphenethyl)-4-oxo-3,4-dihydroquinazoline-7-yl]-N-hydroxyacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-ethyl-3-(4-methoxyphenethyl)-4-oxo-3,4-dihydroq...",NA,"CCC1=NC2=C(C=CC(=C2)C=CC(=O)NO)C(=O)N1CCC3=CC=C(C=C3)OC","DWWXXRKGLLUOGK-YRNVUSSQSA-N",71811290,NA,"PDBC06555","787283","Present",NA,NA
+"6556","(E)-3-[2-Methoxy-5-[1-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-methoxy-5-(1-(3,4,5-trimethoxyphenyl)vinyl)phen...",NA,"COC1=C(C=C(C=C1)C(=C)C2=CC(=C(C(=C2)OC)OC)OC)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","BGCCTUJDKWHWQW-PKNBQFBNSA-N",155811610,NA,"PDBC06556","780194","Present",NA,NA
+"6557","(E)-3-[3-Methoxy-4-[(E)-2-phenylethenoxy]carbonylphenyl]prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[3-Methoxy-4-[(E)-2-phenylethenoxy]carbonylphenyl]prop-2-enoic acid",NA,"COC1=C(C=CC(=C1)C=CC(=O)O)C(=O)OC=CC2=CC=CC=C2","VVAMPRFKJYUPEA-REVVXPLQSA-N",5896819,NA,"PDBC06557","626886","Present",NA,NA
+"6558","(E)-3-[4,5-Bis(phenylmethoxy)pyridin-2-yl]-2-cyanoprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[4,5-Bis(phenylmethoxy)pyridin-2-yl]-2-cyanoprop-2-enamide",NA,"C1=CC=C(C=C1)COC2=C(C=NC(=C2)C=C(C#N)C(=O)N)OCC3=CC=CC=C3","TVEJEALDXDXDSX-YBFXNURJSA-N",5388684,NA,"PDBC06558","638086","Present",NA,NA
+"6559","(E)-3-[4-(Dimethylamino)phenyl]-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[4-(Dimethylamino)phenyl]-1-(6-methoxynaphthalen-2-yl)prop-2-en-1-one",NA,"CN(C)C1=CC=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)C=C(C=C3)OC","SWEQPCSYEPPDGB-AWNIVKPZSA-N",7947291,NA,"PDBC06559","729533","Present",NA,NA
+"6560","(E)-3-[4-Methoxy-3-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methoxy]phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-methoxy-3-((1-(4-methoxybenzyl)-1H-1,2,3-triazo...",NA,"COC1=CC=C(C=C1)CN2C=C(N=N2)COC3=C(C=CC(=C3)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","ZAJKOFVRBKANIT-XYOKQWHBSA-N",155806868,NA,"PDBC06560","765799","Present",NA,NA
+"6561","(E)-3-[4-[2-[10-[2-[4-[(E)-3-Oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[4-[2-[10-[2-[4-[(E)-3-Oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CC=C(C=C2)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","XXNJHRIAOSUPCG-FQHZWJPGSA-N",5469052,NA,"PDBC06561","682093","Present",NA,NA
+"6562","(E)-3-[4-[4-[4-[(E)-2-Cyanovinyl]-1-(p-tolylsulfonyl)pyrrol-3-yl]-1-(p-tolylsulfonyl)pyrrol-3-yl]-1-(p-tolylsulfonyl)pyrrol-3-yl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[4-[4-[4-[(E)-2-Cyanoethenyl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]prop-2-enenitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C3=CN(C=C3C4=CN(C=C4C=CC#N)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C)C=CC#N","HEEOSQICULIPKJ-YDFGWWAZSA-N",5468942,NA,"PDBC06562","679537","Present",NA,NA
+"6563","(E)-3-[4-[Bis(2-bromoethyl)amino]phenyl]-2-cyanoprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cinnamamide, p-[bis(2-bromoethyl)amino]-.alpha.-cyano-",NA,"C1=CC(=CC=C1C=C(C#N)C(=O)N)N(CCBr)CCBr","IWRUKTCHUSSIEY-FMIVXFBMSA-N",6282616,NA,"PDBC06563","81767","Present",NA,NA
+"6564","(E)-3-[4-[Bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]prop-2-enoyl azide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[4-[Bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]prop-2-enoyl azide",NA,"C1=CC(=CC=C1C=C(C(=O)N=[N+]=[N-])NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N(CCC#N)CCC#N","JKOCMRWIVQLHIH-DEDYPNTBSA-N",5821081,NA,"PDBC06564","638225","Present",NA,NA
+"6565","(E)-3-[4-[[3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]sulfonyl]phenyl]prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[4-[[3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]sulfonyl]phenyl]prop-2-enoic acid",NA,"COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2S(=O)(=O)C5=CC=C(C=C5)C=CC(=O)O","PRPUBBKCAZURSJ-CAOOACKPSA-N",5472424,NA,"PDBC06565","718689","Present",NA,NA
+"6566","(E)-3-[5-(Dimethoxyphosphorylmethyl)-2-furyl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[5-(Dimethoxyphosphorylmethyl)-2-furyl]prop-2-enenitrile",NA,"COP(=O)(CC1=CC=C(O1)C=CC#N)OC","HGNPZVNKJDSJFO-ONEGZZNKSA-N",5468680,NA,"PDBC06566","674227","Present",NA,NA
+"6567","(E)-3-[5-(Methoxymethyl)-6,11-dioxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[5-(Methoxymethyl)-6,11-dioxo-6a,7-dihydropyrrolo[2,1-c][1,4]benzodiazepin-8-yl]prop-2-enamide",NA,"COCN1C2=CC=CC=C2C(=O)N3C=C(CC3C1=O)C=CC(=O)N","PFZUOFXFXHKZOR-VOTSOKGWSA-N",5387499,NA,"PDBC06567","624333","Present",NA,NA
+"6568","(E)-3-[5-[3,5-Bis(trifluoromethyl)phenyl]-2-furyl]-2-diethoxyphosphoryl-prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[5-[3,5-Bis(trifluoromethyl)phenyl]-2-furyl]-2-diethoxyphosphoryl-prop-2-enenitrile",NA,"CCOP(=O)(C(=CC1=CC=C(O1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C#N)OCC","GPVIEPUQMRVGEW-MHWRWJLKSA-N",5468626,NA,"PDBC06568","673091","Present",NA,NA
+"6569","(E)-3-[6-(4-Fluorophenyl)-2-methylimidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3]thi...",NA,"CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)F)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","OKCSEIZNHKOFSY-MDZDMXLPSA-N",51353357,NA,"PDBC06569","749804","Present",NA,NA
+"6570","(E)-3-[6-(4-Fluorophenyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CS3)C4=CC=C(C=C4)F","PTOJCMAWQFZHOM-CMDGGOBGSA-N",51353352,NA,"PDBC06570","748734","Present",NA,NA
+"6571","(E)-3-[6-(4-Methoxyphenyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-y...",NA,"COC1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC","XFQIHTLSGRJKNZ-MDZDMXLPSA-N",51353293,NA,"PDBC06571","748733","Present",NA,NA
+"6572","(E)-3-[6-(Trifluoromethyl)imidazo[2,3]thiazol-5-yl]-1-(3,4,5trimethoxyphenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[6-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-y...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=C(N=C3N2C=CS3)C(F)(F)F","BCIBRVKRBVTPQK-SNAWJCMRSA-N",50908741,NA,"PDBC06572","749801","Present",NA,NA
+"6573","(E)-4,4,4-Trichloro-N-(4-chlorophenyl)but-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenamide, N-(4-chlorophenyl)-4,4,4-trichloro-",NA,"C1=CC(=CC=C1NC(=O)C=CC(Cl)(Cl)Cl)Cl","HQGDREXJVGMAEY-AATRIKPKSA-N",5927763,NA,"PDBC06573","604586","Present",NA,NA
+"6574","(E)-4,4-Dimethyl-1-phenyl-5-(1-piperidyl)pent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-4,4-dimethyl-5-(1-piperidino)pent-1-en-3-one hydrochloride",NA,"CC(C)(CN1CCCCC1)C(=O)C=CC2=CC=CC=C2.Cl","WDQXQEPXPWTHQG-CALJPSDSSA-N",6474495,NA,"PDBC06574","643992","Present",NA,NA
+"6575","(E)-4,4-Dimethyl-5-(1-piperidyl)-1-(p-tolyl)pent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methylphenyl)-4,4-dimethyl-5-(1-piperidino)pent-1-en-3-one hydrochloride",NA,"CC1=CC=C(C=C1)C=CC(=O)C(C)(C)CN2CCCCC2.Cl","BISFZMZPTUCLLD-CALJPSDSSA-N",6474496,NA,"PDBC06575","643993","Present",NA,NA
+"6576","(E)-4-(1,3-Dihydropyrrolo[3,4-b]quinolin-2-yl)-4-oxobut-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(1,3-Dihydropyrrolo[3,4-b]quinolin-2-yl)-4-oxobut-2-enoic acid",NA,"C1C2=CC3=CC=CC=C3N=C2CN1C(=O)C=CC(=O)O","XXDIMUGXFWMIEE-AATRIKPKSA-N",5382461,NA,"PDBC06576","140899","Present",NA,NA
+"6577","(E)-4-(2,5-Dimethoxyphenyl)-3-ethoxycarbonylbut-3-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(2,5-Dimethoxyphenyl)-3-ethoxycarbonylbut-3-enoic acid",NA,"CCOC(=O)C(=CC1=C(C=CC(=C1)OC)OC)CC(=O)O","MINVFJFJVLIBOQ-YRNVUSSQSA-N",5387096,NA,"PDBC06577","620312","Present",NA,NA
+"6578","(E)-4-(2-Fluorophenyl)-1,1-diphenylbut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(2-Fluorophenyl)-1,1-diphenylbut-3-en-2-one",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3F","OWSRWKSFACQDGH-FOCLMDBBSA-N",5386875,NA,"PDBC06578","618533","Present",NA,NA
+"6579","(E)-4-(2-Methoxyphenyl)-2-oxo-4-sulfanylbut-3-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ToM",NA,NA,NA,NA,NA,NA,"PDBC06579",NA,"Absent",NA,NA
+"6580","(E)-4-(3-Acetyl-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(3-Acetyl-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,"CC(=O)C1=CC(=CC=C1)N(CC(=O)C2=CC=C(C=C2)Cl)C=CC(=O)C(F)(F)F","XMAOJHCDPGSQQO-MDZDMXLPSA-N",24204934,NA,"PDBC06580","733479","Present",NA,NA
+"6581","(E)-4-(3-Thionitrosophenyl)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(3-Thionitrosophenyl)but-3-en-2-one",NA,"CC(=O)C=CC1=CC(=CC=C1)N=S","KOHZLWLARBLXOT-AATRIKPKSA-N",5388423,NA,"PDBC06581","635958","Present",NA,NA
+"6582","(E)-4-(4-Acetyl-N-[2-(3,4-dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(4-Acetyl-N-[2-(3,4-dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,"CC(=O)C1=CC=C(C=C1)N(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C=CC(=O)C(F)(F)F","AKBBBOJCIYOBSF-CMDGGOBGSA-N",24205124,NA,"PDBC06582","734384","Present",NA,NA
+"6583","(E)-4-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)but-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)but-2-en-1-ol",NA,"C1=CN(C2=NC=NC(=C21)N)CC=CCO","VBIAGLNRNULIDS-OWOJBTEDSA-N",5470325,NA,"PDBC06583","699716","Present",NA,NA
+"6584","(E)-4-(4-Chloro-N-[2-(3,4-dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(4-Chloro-N-[2-(3,4-dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,"C1=CC(=CC=C1N(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C=CC(=O)C(F)(F)F)Cl","UFYQZZQRFUCSCJ-BQYQJAHWSA-N",24205125,NA,"PDBC06584","734385","Present",NA,NA
+"6585","(E)-4-(4-Chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(4-Chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,"C1=CC(=CC=C1C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)Cl)Cl","WYIATDGRNIKEFS-MDZDMXLPSA-N",24204931,NA,"PDBC06585","733476","Present",NA,NA
+"6586","(E)-4-(4-Chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(4-Chloro-N-[2-(4-fluorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,"C1=CC(=CC=C1C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)Cl)F","YQPFBEKWAGMPCF-MDZDMXLPSA-N",24204927,NA,"PDBC06586","733472","Present",NA,NA
+"6587","(E)-4-(4-Chloro-N-phenacylanilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(4-Chloro-N-phenacylanilino)-1,1,1-trifluorobut-3-en-2-one",NA,"C1=CC=C(C=C1)C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)Cl","XPWVRQXOVOIMPF-ZHACJKMWSA-N",24204717,NA,"PDBC06587","732545","Present",NA,NA
+"6588","(E)-4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(4-Chlorophenyl)-2,2,3-trimethylbut-3-enoic acid",NA,"CC(=CC1=CC=C(C=C1)Cl)C(C)(C)C(=O)O","ZUJSAJQUBXASPX-CMDGGOBGSA-N",5384034,NA,"PDBC06588","303607","Present",NA,NA
+"6589","(E)-4-(Morpholin-4-ylmethyl)-1-phenylnon-1-en-3-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(Morpholin-4-ylmethyl)-1-phenylnon-1-en-3-one;hydrobromide",NA,"CCCCCC(CN1CCOCC1)C(=O)C=CC2=CC=CC=C2.Br","VNEVITDWWHPCJE-CALJPSDSSA-N",54601610,NA,"PDBC06589","322069","Present",NA,NA
+"6590","(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]-4-methoxyanilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]-4-methoxyanilino)-1,1,1-trifluorobut-3-en-2-one",NA,"COC1=CC=C(C=C1)N(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C=CC(=O)C(F)(F)F","QULOLGRKLXECQQ-CMDGGOBGSA-N",24204926,NA,"PDBC06590","733471","Present",NA,NA
+"6591","(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]-4-methylanilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]-4-methylanilino)-1,1,1-trifluorobut-3-en-2-one",NA,"CC1=CC=C(C=C1)N(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C=CC(=O)C(F)(F)F","BAAZBDHFHSDLOS-CMDGGOBGSA-N",24204995,NA,"PDBC06591","733916","Present",NA,NA
+"6592","(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(N-[2-(3,4-Dichlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,"C1=CC=C(C=C1)N(CC(=O)C2=CC(=C(C=C2)Cl)Cl)C=CC(=O)C(F)(F)F","TUVBSUPMVMLOIR-CMDGGOBGSA-N",24204937,NA,"PDBC06592","733482","Present",NA,NA
+"6593","(E)-4-(N-[2-(4-Chlorophenyl)-2-oxoethyl]-4-methoxyanilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(N-[2-(4-Chlorophenyl)-2-oxoethyl]-4-methoxyanilino)-1,1,1-trifluorobut-3-en-2-one",NA,"COC1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)Cl)C=CC(=O)C(F)(F)F","RLNDVOWLQDWZCW-ZHACJKMWSA-N",24204939,NA,"PDBC06593","733484","Present",NA,NA
+"6594","(E)-4-(N-[2-(4-Chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(N-[2-(4-Chlorophenyl)-2-oxoethyl]anilino)-1,1,1-trifluorobut-3-en-2-one",NA,"C1=CC=C(C=C1)N(CC(=O)C2=CC=C(C=C2)Cl)C=CC(=O)C(F)(F)F","BFAYJJTZZSEFHP-ZHACJKMWSA-N",24204930,NA,"PDBC06594","733475","Present",NA,NA
+"6595","(E)-4-(Tert-Butyldimethylsilyloxy)-3,4',5-trimethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E) 4-.tert.Butyldimethylsilyloxy-3,4',5-trimethoxystilbene",NA,"CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)C=CC2=CC=C(C=C2)OC)OC","QYELFYNGCBSTLN-MDZDMXLPSA-N",5388773,NA,"PDBC06595","638491","Present",NA,NA
+"6596","(E)-4-Benzyloxy-3,4',5-trimethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E) 4-Benzyloxy-3,4',5-trimethoxystilbene",NA,"COC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OCC3=CC=CC=C3)OC","NRKQFAWASSDLPO-MDZDMXLPSA-N",5388777,NA,"PDBC06596","638496","Present",NA,NA
+"6597","(E)-4-Bromo-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-Bromo-1-(4-methoxyphenyl)-4-methylpent-1-en-3-one",NA,"CC(C)(C(=O)C=CC1=CC=C(C=C1)OC)Br","BMAOFKCYLVTSMJ-RMKNXTFCSA-N",5798653,NA,"PDBC06597","382770","Present",NA,NA
+"6598","(E)-4-Bromo-4-methyl-1-phenylpent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-Bromo-4-methyl-1-phenylpent-1-en-3-one",NA,"CC(C)(C(=O)C=CC1=CC=CC=C1)Br","LYDXYGFVXNGODU-CMDGGOBGSA-N",5944568,NA,"PDBC06598","382767","Present",NA,NA
+"6599","(E)-4-Diethoxyphosphoryl-5-phenylpent-4-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687829",NA,"CCOP(=O)(C(=CC1=CC=CC=C1)CC(=O)C)OCC","ZRODUEDCUABUST-NTCAYCPXSA-N",5469420,NA,"PDBC06599","687829","Present",NA,NA
+"6600","(E)-4-Oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]but-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-Oxo-4-[(5-sulfamoyl-1,3,4-thiadiazol-2-yl)amino]but-2-enoic acid",NA,"C(=CC(=O)O)C(=O)NC1=NN=C(S1)S(=O)(=O)N","MBXVRPOXAVAXEA-OWOJBTEDSA-N",5803978,NA,"PDBC06600","698988","Present",NA,NA
+"6601","(E)-4-[(4-Methylmorpholin-4-ium-4-yl)methyl]-1-phenylnon-1-en-3-one;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-[(4-Methylmorpholin-4-ium-4-yl)methyl]-1-phenylnon-1-en-3-one;bromide",NA,"CCCCCC(C[N+]1(CCOCC1)C)C(=O)C=CC2=CC=CC=C2.[Br-]","WHLZKVDWYJIXOK-UEIGIMKUSA-M",54610962,NA,"PDBC06601","322072","Present",NA,NA
+"6602","(E)-4-[2,6-Dimethyl-6-(2-methylpropyl)cyclohexen-1-yl]but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-[2,6-Dimethyl-6-(2-methylpropyl)cyclohexen-1-yl]but-3-en-2-one",NA,"CC1=C(C(CCC1)(C)CC(C)C)C=CC(=O)C","ZXSMELYOPOOCAX-CMDGGOBGSA-N",5472295,NA,"PDBC06602","717801","Present",NA,NA
+"6603","(E)-4-[2-(2-Methyl-1H-indol-3-yl)indolin-1-yl]-4-oxo-but-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-[2-(2-Methyl-1H-indol-3-yl)indolin-1-yl]-4-oxo-but-2-enoic acid",NA,"CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)C=CC(=O)O","BLCOALNKHFNYCK-ZHACJKMWSA-N",5388053,NA,"PDBC06603","631310","Present",NA,NA
+"6604","(E)-4-[4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenyl]but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-[4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenyl]but-3-en-2-one",NA,"CC(=O)C=CC1=CC=C(C=C1)NC2=C3C(=COC3=NC4=CC=CC=C42)Cl","SHSDFIRDJIRNEV-VOTSOKGWSA-N",5473262,NA,"PDBC06604","724686","Present",NA,NA
+"6605","(E)-4-[4-[(E)-4-Oxo-3,4-bis(2-thienyl)but-2-enoyl]phenyl]-1,2-bis(2-thienyl)but-2-ene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-[4-[(E)-4-Oxo-3,4-bis(2-thienyl)but-2-enoyl]phenyl]-1,2-bis(2-thienyl)but-2-ene-1,4-dione",NA,"C1=CSC(=C1)C(=CC(=O)C2=CC=C(C=C2)C(=O)C=C(C3=CC=CS3)C(=O)C4=CC=CS4)C(=O)C5=CC=CS5","KTYDKKDUECIXSH-SVJWQLCWSA-N",5467684,NA,"PDBC06605","657772","Present",NA,NA
+"6606","(E)-5-(4-Nitrobenzylideneamino)-6-(phenyl-amino)-1H-pyrazolo[3,4-b]pyridin-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(4-nitrobenzylideneamino)-6-(phenyl-amino)-1H-pyra...",NA,"C1=CC=C(C=C1)NC2=NC3=C(C=NN3)C(=O)C2N=CC4=CC=C(C=C4)[N+](=O)[O-]","GHXSOKVBPRVLBQ-UHFFFAOYSA-N",377462,NA,"PDBC06606","658919","Present",NA,NA
+"6607","(E)-5-(Diethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(Diethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide",NA,"CCN(CC)CCC(=O)C=CC1=CC=C(C=C1)C.Br","YSVICOYQGGDJJK-ASTDGNLGSA-N",5386927,NA,"PDBC06607","618764","Present",NA,NA
+"6608","(E)-5-(Diethylamino)-1-[3-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(Diethylamino)-1-[3-[(E)-5-(diethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one",NA,"CCN(CC)CC(C)(C)C(=O)C=CC1=CC(=CC=C1)C=CC(=O)C(C)(C)CN(CC)CC","HDRJGNQSUZNENU-YWNVXTCZSA-N",5386924,NA,"PDBC06608","618762","Present",NA,NA
+"6609","(E)-5-(Diethylamino)-1-phenylpent-1-en-3-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(Diethylamino)-1-phenylpent-1-en-3-one;hydrochloride",NA,"CCN(CC)CCC(=O)C=CC1=CC=CC=C1.Cl","ITPJAXDRHSZEEJ-ASTDGNLGSA-N",6519127,NA,"PDBC06609","678343","Present",NA,NA
+"6610","(E)-5-(Diethylamino)-4,4-dimethyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(Diethylamino)-4,4-dimethyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide",NA,"CCN(CC)CC(C)(C)C(=O)C=CC1=CC=C(C=C1)C.Br","LFYDERZZJPZNGL-UEIGIMKUSA-N",5351334,NA,"PDBC06610","382766","Present",NA,NA
+"6611","(E)-5-(Diethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(Diethylamino)-4-methyl-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide",NA,"CCN(CC)CC(C)C(=O)C=CC1=CC=C(C=C1)C.Br","VHVQSYOUBOOKIY-CALJPSDSSA-N",5386931,NA,"PDBC06611","618766","Present",NA,NA
+"6612","(E)-5-(Dimethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(Dimethylamino)-1-(4-methylphenyl)pent-1-en-3-one;hydrobromide",NA,"CC1=CC=C(C=C1)C=CC(=O)CCN(C)C.Br","RBJSQEDIEYVFCP-HRNDJLQDSA-N",5386929,NA,"PDBC06612","618765","Present",NA,NA
+"6613","(E)-5-(Dimethylamino)-1-[4-[(E)-5-(dimethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(Dimethylamino)-1-[4-[(E)-5-(dimethylamino)-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-4,4-dimethylpent-1-en-3-one;hydrobromide",NA,"CC(C)(CN(C)C)C(=O)C=CC1=CC=C(C=C1)C=CC(=O)C(C)(C)CN(C)C.Br","LLCNJTVMQKSHEB-ACJWTMPUSA-N",5386916,NA,"PDBC06613","618758","Present",NA,NA
+"6614","(E)-5-(Methoxymethoxy)pent-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(Methoxymethoxy)-2-pentenal",NA,"COCOCCC=CC=O","ZTDPLQPYEJNDFA-NSCUHMNNSA-N",5386711,NA,"PDBC06614","617300","Present",NA,NA
+"6615","(E)-5-Morpholin-4-yl-1,2-diphenylpent-1-en-3-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-Morpholin-4-yl-1,2-diphenylpent-1-en-3-one;hydrochloride",NA,"C1COCCN1CCC(=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3.Cl","UKJTXTPJFUCSKO-SJEOTZHBSA-N",5386798,NA,"PDBC06615","617826","Present",NA,NA
+"6616","(E)-6-(1,3-Benzodioxol-5-yl)-1-(1H-indol-3-yl)hex-5-ene-1,2,4-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-6-(1,3-Benzodioxol-5-yl)-1-(1H-indol-3-yl)hex-5-ene-1,2,4-trione",NA,"C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC(=O)C(=O)C3=CNC4=CC=CC=C43","MRVHNVMGOGAEOT-FNORWQNLSA-N",5471505,NA,"PDBC06616","711810","Present",NA,NA
+"6617","(E)-6-(7-Hydroxy-5-hepten-1,3-diyn-1-yl)-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-6-(7-hydroxy-5-hepten-1,3-diyn-1-yl)-2H-pyran-2-one",NA,"C1=CC(=O)OC(=C1)C#CC#CC=CCO","JAXSHCPIAIQSLW-HWKANZROSA-N",11171629,NA,"PDBC06617","730869","Present",NA,NA
+"6618","(E)-6-Bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-6-Bromo-3-(bromomethyl)-1,2-dichloro-7-methyloct-2-ene",NA,"CC(C)C(CCC(=C(CCl)Cl)CBr)Br","UXRINMVIUVVTLH-CSKARUKUSA-N",5468477,NA,"PDBC06618","670810","Present",NA,NA
+"6619","(E)-7-Chloro-2-(4-chlorostyryl)-3-(3-methylisoxazol-5-yl)quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-2-[(E)-2-(4-chlorophenyl)vinyl]-3-(3-methylisoxazol-5-yl)quinazolin-4-one",NA,"CC1=NOC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C=CC4=CC=C(C=C4)Cl","JAVHQDGHLLPLMT-RUDMXATFSA-N",5467778,NA,"PDBC06619","659000","Present",NA,NA
+"6620","(E)-7-Methoxy-9-oxo-10,10,10-trichloro-7-decenoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-7-Methoxy-9-oxo-10,10,10-trichloro-7-decenoic acid methyl ester",NA,"COC(=CC(=O)C(Cl)(Cl)Cl)CCCCCC(=O)OC","YZLUUILYTIAYIX-CMDGGOBGSA-N",5472241,NA,"PDBC06620","717163","Present",NA,NA
+"6621","(E)-8-Chlorozeatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-8-Chlorozeatin",NA,"CC(=CCNC1=NC=NC2=C1NC(=N2)Cl)CO","XSCZQAHMEBNLNQ-QHHAFSJGSA-N",5909120,NA,"PDBC06621","672186","Present",NA,NA
+"6622","(E)-9-(2-Cyanoethyl)zeatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-9-(2-Cyanoethyl)zeatin",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC#N)CO","DCVCQYZTZWDEHV-XCVCLJGOSA-N",5468594,NA,"PDBC06622","672190","Present",NA,NA
+"6623","(E)-9-(Carbo-t-butoxyethyl)zeatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-9-(Carbo-t-butoxyethyl)zeatin",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)OC(C)(C)C)CO","FZKFXYCZGZCKHA-LFYBBSHMSA-N",5468593,NA,"PDBC06623","672189","Present",NA,NA
+"6624","(E)-But-2-enedioic acid;1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;1-(7,8,9,10-tetrahydrophenanthridin-6-yl)piperidin-4-amine",NA,"C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCC(CC4)N.C(=CC(=O)O)C(=O)O","CHFJFTVRZCQVDG-WLHGVMLRSA-N",5471308,NA,"PDBC06624","710333","Present",NA,NA
+"6625","(E)-But-2-enedioic acid;1-[2-(diethylamino)ethylamino]-2-methoxy-4-methylthioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;1-[2-(diethylamino)ethylamino]-2-methoxy-4-methylthioxanthen-9-one",NA,"CCN(CC)CCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3S2)C)OC.C(=CC(=O)O)C(=O)O","IXLUZVWSQPRRQS-WLHGVMLRSA-N",5359222,NA,"PDBC06625","302334","Present",NA,NA
+"6626","(E)-But-2-enedioic acid;2-(2,4-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;2-(2,4-dichlorophenyl)-N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide",NA,"CN(C1CCCCC1N2CCCC2)C(=O)CC3=C(C=C(C=C3)Cl)Cl.C(=CC(=O)O)C(=O)O","RSGMYCIRDPBWHR-WPJKWKJRSA-N",54611514,NA,"PDBC06626","708987","Present",NA,NA
+"6627","(E)-But-2-enedioic acid;2-(3,4-dichlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;2-(3,4-dichlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)acetamide",NA,"C1CCN(C1)CCN(CCC2=CC(=C(C=C2)Cl)Cl)C(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=CC(=O)O)C(=O)O","UWPRYKZWYMSWBN-WLHGVMLRSA-N",5471108,NA,"PDBC06627","708565","Present",NA,NA
+"6628","(E)-But-2-enedioic acid;2-[4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]butyl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;2-[4-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(propyl)amino]butyl]isoindole-1,3-dione",NA,"CCCN(CCCCN1C(=O)C2=CC=CC=C2C1=O)CC3COC4=CC=CC=C4O3.C(=CC(=O)O)C(=O)O","FEHWZTDFCWUJAA-WLHGVMLRSA-N",5471109,NA,"PDBC06628","708572","Present",NA,NA
+"6629","(E)-But-2-enedioic acid;6-[(6,7,8-trimethoxyquinazolin-4-yl)amino]hexyl nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;6-[(6,7,8-trimethoxyquinazolin-4-yl)amino]hexyl nitrate",NA,"COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCCCCO[N+](=O)[O-])OC)OC.C(=CC(=O)O)C(=O)O","GNFMEYYBGDGASH-WLHGVMLRSA-N",6512032,NA,"PDBC06629","331974","Present",NA,NA
+"6630","(E)-But-2-enedioic acid;N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;N-[3-[4-(3-formamidopropyl)piperazin-1-yl]propyl]formamide",NA,"C1CN(CCN1CCCNC=O)CCCNC=O.C(=CC(=O)O)C(=O)O","TVJHLIMFSDGSGH-WLHGVMLRSA-N",54611530,NA,"PDBC06630","707456","Present",NA,NA
+"6631","(E)-But-2-enedioic acid;N-methyl-2-naphthalen-2-ylsulfanyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;N-methyl-2-naphthalen-2-ylsulfanyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide",NA,"CN(C1CCCCC1N2CCCC2)C(=O)CSC3=CC4=CC=CC=C4C=C3.C(=CC(=O)O)C(=O)O","WXQAWVIJANRBMP-AGCSEZHXSA-N",5471084,NA,"PDBC06631","708140","Present",NA,NA
+"6632","(E)-But-2-enedioic acid;N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-2-(2,4,5-trichlorophenoxy)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-2-(2,4,5-trichlorophenoxy)acetamide",NA,"CN(C1CCCCC1N2CCCC2)C(=O)COC3=CC(=C(C=C3Cl)Cl)Cl.C(=CC(=O)O)C(=O)O","PNDGADLFTHALSO-VRITYYCDSA-N",54611519,NA,"PDBC06632","708999","Present",NA,NA
+"6633","(E)-But-2-enedioic acid;tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;tert-butyl N-methyl-N-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]carbamate",NA,"CC(C)(C)OC(=O)N(C)C1CCCCC1N2CCCC2.C(=CC(=O)O)C(=O)O","HHKWNXMSFLRNMP-NKTUFLPASA-N",5471028,NA,"PDBC06633","707467","Present",NA,NA
+"6634","(E)-Ethyl 2-((4-(1H-benzo[d]imidazol-2-yl)phenylamino)methylene)-3-oxo butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-Ethyl 2-((4-(1H-benzo[d]imidazol-2-yl)phenylamino)me...",NA,"CCOC(=O)C(=C(C)O)C=NC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2","CYYGNJSFNXBQJZ-MPKGINSESA-N",135585478,NA,"PDBC06634","730301","Present",NA,NA
+"6635","(E)-Ethyl 3-(pyridin-2-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-(2-pyridyl)-acrylate",NA,"CCOC(=O)C=CC1=CC=CC=N1","KLWMOCBNXFKZOS-VOTSOKGWSA-N",5371891,NA,"PDBC06635","643039","Present",NA,NA
+"6636","(E)-N'-[(2-Hydroxynaphthalen-1-yl)methylidene]-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Hydroxynaphthalen-1-yl)methylideneamino]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC3=CC=CC=C32)O","RGNFUPWYQNYCNG-XDHOZWIPSA-N",135545713,NA,"PDBC06636","142481","Present",NA,NA
+"6637","(E)-N,N-Dimethyl-2-(5-nitro-1,3,4-thiadiazol-2-yl)ethenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N,N-Dimethyl-2-(5-nitro-1,3,4-thiadiazol-2-yl)ethenamine",NA,"CN(C)C=CC1=NN=C(S1)[N+](=O)[O-]","VMVKEXPTGFUUTD-ONEGZZNKSA-N",6051815,NA,"PDBC06637","163055","Present",NA,NA
+"6638","(E)-N-(1-Butylsulfinyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenamide, N-[2-(butylsulfinyl)-1-(hydroxymethyl)eth...",NA,"CCCCS(=O)CC(CO)NC(=O)C=CC1=C(NC(=O)NC1=O)C","VTHCVIXENYOZQB-AATRIKPKSA-N",5358267,NA,"PDBC06638","241509","Present",NA,NA
+"6639","(E)-N-(1-Decylsulfanyl-3-hydroxypropan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC265473///NSC305458",NA,"CCCCCCCCCCSCC(CO)NC(=O)C=CC1=C(NC(=O)NC1=O)C","DEXMFKROHRYHOD-VAWYXSNFSA-N",5351281,NA,"PDBC06639","265473///305458","Present",NA,NA
+"6640","(E)-N-(1-Hydroxy-4-methylpentan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uracil, 5-[2-[1-(hydroxymethyl)-3-methylbutyl]amino]- ca...",NA,"CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CC(C)C)CO","KULVANYRQXOALD-SNAWJCMRSA-N",5351266,NA,"PDBC06640","224117","Present",NA,NA
+"6641","(E)-N-(2-Aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-(2-Aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]prop-2-enamide",NA,"C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C=CC(=O)NC4=CC=CC=C4N","YRPFCLRPHUGURL-NTCAYCPXSA-N",11582279,NA,"PDBC06641","733254","Present",NA,NA
+"6642","(E)-N-(4-(Benzo[d]thiazol-2-yl)phenyl)-N'-(3-chlorophenyl)fo rmamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-(4-(Benzo[d]thiazol-2-yl)phenyl)-N'-(3-chloropheny...",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CNC4=CC(=CC=C4)Cl","AYZQBKMWBXRWCW-UHFFFAOYSA-N",24203981,NA,"PDBC06642","730302","Present",NA,NA
+"6643","(E)-N-(Oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-(Oxiran-2-ylmethoxy)-3,4-dihydro-2H-naphthalen-1-imine",NA,"C1CC2=CC=CC=C2C(=NOCC3CO3)C1","UICICMUEDFNVNQ-BUHFOSPRSA-N",5932316,NA,"PDBC06643","620326","Present",NA,NA
+"6644","(E)-N-Ethyl-7-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]hept-2-en-6-ynamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-Ethyl-7-[5-(5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]hept-2-en-6-ynamide",NA,"CCNC(=O)C=CCCC#CC1=CC=C(S1)C2=CC=C(S2)C3=CC=CS3","MJQKFFOBZMKGQM-UXBLZVDNSA-N",5467584,NA,"PDBC06644","656082","Present",NA,NA
+"6645","(E)-N-Hydroxy-N-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]octadec-9-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-Hydroxy-N-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]octadec-9-enamide",NA,"CCCCCCCCC=CCCCCCCCC(=O)N(C1CC(OC1CO)N2C=C(C(=O)NC2=O)C)O","JRMOPFPNLNVTJB-ZHACJKMWSA-N",5467513,NA,"PDBC06645","654225","Present",NA,NA
+"6646","(E)-N-Pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-Pyridin-2-yl-1-(3,4,5-trimethoxyphenyl)methanimine",NA,"COC1=CC(=CC(=C1OC)OC)C=NC2=CC=CC=N2","ZRCLIVDBJWAMPG-LICLKQGHSA-N",9556386,NA,"PDBC06646","702334","Present",NA,NA
+"6647","(E)-N-[(3E)-3-[(1-Methylpyrrol-2-yl)methylidene]-2-oxo-1H-indol-5-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-((E)-3-((1-methyl-1H-pyrrol-2-yl)methylene)-2-oxoi...",NA,"CN1C=CC=C1C=C2C3=C(C=CC(=C3)NC(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC)NC2=O","NMPWPOIOHHXNIW-BFTAXVNQSA-N",155814645,NA,"PDBC06647","773177","Present",NA,NA
+"6648","(E)-N-[(E)-(4-Chlorophenyl)methylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-[(E)-(4-Chlorophenyl)methylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide",NA,"COC1=CC(=C(C=C1)OC)C=CC(=O)NN=CC2=CC=C(C=C2)Cl","CIGSBCIJOLHRPQ-XWISFQRESA-N",54613060,NA,"PDBC06648","750916","Present",NA,NA
+"6649","(E)-N-[(E)-1-(1,3-Benzodioxol-5-yl)propan-2-ylideneamino]-3-methyl-1,3-benzothiazol-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-[(E)-1-(1,3-Benzodioxol-5-yl)propan-2-ylideneamino]-3-methyl-1,3-benzothiazol-2-imine",NA,"CC(=NN=C1N(C2=CC=CC=C2S1)C)CC3=CC4=C(C=C3)OCO4","WUIUEJAHVQHSOR-WMNPJARVSA-N",6859588,NA,"PDBC06649","707105","Present",NA,NA
+"6650","(E)-N-[(E)-Benzylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-[(E)-Benzylideneamino]-3-(2,5-dimethoxyphenyl)prop-2-enamide",NA,"COC1=CC(=C(C=C1)OC)C=CC(=O)NN=CC2=CC=CC=C2","LMHHCUGAQMREDD-UQNIYPKTSA-N",54613059,NA,"PDBC06650","750915","Present",NA,NA
+"6651","(E)-N-[2-(Pyridin-2-yl)isoindolin-1-ylidene]pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N,2-Dipyridin-2-yl-3H-isoindol-1-imine",NA,"C1C2=CC=CC=C2C(=NC3=CC=CC=N3)N1C4=CC=CC=N4","YRMQBVFWBSSPRJ-DYTRJAOYSA-N",9571798,NA,"PDBC06651","657194","Present",NA,NA
+"6652","(E)-N-[2-[(E)-2-[4-[Bis(2-chloroethyl)amino]phenyl]ethenyl]-1-ethylquinolin-1-ium-6-yl]-3-phenylprop-2-enamide;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 2-[2-[4-[bis(2-chloroethyl)amino]phenyl] et...",NA,"CC[N+]1=C(C=CC2=C1C=CC(=C2)NC(=O)C=CC3=CC=CC=C3)C=CC4=CC=C(C=C4)N(CCCl)CCCl.[I-]","YSXCTIUDJLDWMW-YLFUTEQJSA-N",54608103,NA,"PDBC06652","640085","Present",NA,NA
+"6653","(E)-N-[2-[(E)-Benzylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1-phenylmethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-[2-[(E)-Benzylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1-phenylmethanimine",NA,"C1=CC=C(C=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC=CC=C5","ILIZUSQBZQKXDN-RNIAWFEPSA-N",54611475,NA,"PDBC06653","708411","Present",NA,NA
+"6654","(E)-N-[4-(1-Benzoylpiperidine-4-yl)butyl]-3-(pyridin-3-yl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-[4-(1-benzoylpiperidine-4-yl)butyl]-3-(pyridin-3-y...",NA,"C1CC(CN(C1)C(=O)C2=CC=CC=C2)CCCCNC(=O)C=CC3=CN=CC=C3","BMDQNDLEOMSJTJ-BUHFOSPRSA-N",18425712,NA,"PDBC06654","751605","Present",NA,NA
+"6655","(E)-N-[4-[(10-Oxoanthracen-9-ylidene)methyl]phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-4-[(10-oxo-9,10-dihydro-9-anthracenyliden)methyl]phen...",NA,"C1=CC=C2C(=C1)C(=CC3=CC=C(C=C3)NC(=O)C=CC4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5C2=O","KXUWYIPBSNEOFZ-QGOAFFKASA-N",155805134,NA,"PDBC06655","761407","Present",NA,NA
+"6656","(E)-N-[[(1S,2S,4R,7E,11S)-4-Methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-ox...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC","NDUDLZBGNUOZOU-MQNCMPQBSA-N",118245702,NA,"PDBC06656","783915","Present",NA,NA
+"6657","(E)-Phenyl(2-pyridinyl)methanone (6-chloro-4-pyrimidinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-Phenyl(2-pyridinyl)methanone (6-chloro-4-pyrimidinyl)hydrazone",NA,"C1=CC=C(C=C1)C(=NNC2=CC(=NC=N2)Cl)C3=CC=CC=N3","JDPHMKIKVPGTDG-CJLVFECKSA-N",9571636,NA,"PDBC06657","693248","Present",NA,NA
+"6658","(E)-[(1R,9R)-2-[3-(1,3-Dioxolan-2-yl)propyl]-9-methyl-4-tricyclo[7.2.1.01,6]dodeca-2,7-dienylidene]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-[(1R,9R)-2-[3-(1,3-Dioxolan-2-yl)propyl]-9-methyl-4-tricyclo[7.2.1.01,6]dodeca-2,7-dienylidene]thiourea",NA,"CC12CCC3(C1)C(CC(=NC(=S)N)C=C3CCCC4OCCO4)C=C2","XYZUMWZPCCNGOJ-PDZCUJTLSA-N",9572418,NA,"PDBC06658","715443","Present",NA,NA
+"6659","(E)-[(3E,5S,8R,9S,10S,13S,14S)-3-Hydrazinylidene-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-[(3E,5S,8R,9S,10S,13S,14S)-3-Hydrazinylidene-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydrazine",NA,"CC12CCC(=NN)CC1CCC3C2CCC4(C3CCC4=NN)C","VRWQSWPQZOPSJC-DGMZGMKWSA-N",24203758,NA,"PDBC06659","729371","Present",NA,NA
+"6660","(E)-[2-Acetyloxyethyl(4,5-dihydro-1H-imidazol-2-yl)amino]-[(4-cyanophenyl)methyl]-[(4-cyanophenyl)methylidene]azanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-[2-Acetyloxyethyl(4,5-dihydro-1H-imidazol-2-yl)amino]-[(4-cyanophenyl)methyl]-[(4-cyanophenyl)methylidene]azanium",NA,NA,NA,NA,NA,"PDBC06660","669316","Present",NA,NA
+"6661","(E)-[4,5-Dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]-(pyridin-2-ylmethyl)-(pyridin-2-ylmethylidene)azanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-[4,5-Dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]-(pyridin-2-ylmethyl)-(pyridin-2-ylmethylidene)azanium",NA,NA,NA,NA,NA,"PDBC06661","676176","Present",NA,NA
+"6662","(E)-[4,5-Dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]-[(2-hydroxyphenyl)methyl]-[(2-hydroxyphenyl)methylidene]azanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-[4,5-Dihydro-1H-imidazol-2-yl(2-hydroxyethyl)amino]-[(2-hydroxyphenyl)methyl]-[(2-hydroxyphenyl)methylidene]azanium",NA,NA,NA,NA,NA,"PDBC06662","669315","Present",NA,NA
+"6663","(E)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl benzoate",NA,"CCCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)C2=CC=CC=C2","MGLVTIFLCJBETJ-HMMYKYKNSA-N",5470626,NA,"PDBC06663","703754","Present",NA,NA
+"6664","(E)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate",NA,"CCCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)C2CCCCC2","TWJLJPPXHKRRIE-HMMYKYKNSA-N",5470628,NA,"PDBC06664","703756","Present",NA,NA
+"6665","(E)-[4-[3,5-Bis[3-methyl-5-[(Z)-oxidodiazenyl]oxadiazol-3-ium-4-yl]phenyl]-3-methyloxadiazol-3-ium-5-yl]-oxidodiazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-[4-[3,5-Bis[3-methyl-5-[(Z)-oxidodiazenyl]oxadiazol-3-ium-4-yl]phenyl]-3-methyloxadiazol-3-ium-5-yl]-oxidodiazene",NA,"C[N+]1=NOC(=C1C2=CC(=CC(=C2)C3=C(ON=[N+]3C)N=N[O-])C4=C(ON=[N+]4C)N=N[O-])N=N[O-]","KLDVUFNWGXSMAD-UHFFFAOYSA-N",54604789,NA,"PDBC06665","679182","Present",NA,NA
+"6666","(E)-benzylidene[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-benzylidene[?]dione",NA,"C1=CC=C(C=C1)C=C2C=C3C4=C(C2=O)C=CC=C4C(=O)O3","VZKBZDSIMWBJAJ-FMIVXFBMSA-N",5468619,NA,"PDBC06666","672905","Present",NA,NA
+"6667","(E)-{2-(Hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl benzoate",NA,"CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C2=CC=CC=C2)C(C)C","LBUKYFWZBTXWFE-VCHYOVAHSA-N",5470630,NA,"PDBC06667","703758","Present",NA,NA
+"6668","(E)-{2-(Hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methylcyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl cyclohexanecarboxylate",NA,"CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C2CCCCC2)C(C)C","MQVKKNWFZZUPHW-VCHYOVAHSA-N",5470632,NA,"PDBC06668","703760","Present",NA,NA
+"6669","(E)n-Methyl-[3-(4-methoxyphenyl)-2-(3,5-trimethoxyphenyl) prop-2-enoamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)n-Methyl-[3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphen...",NA,"CNC(=O)C(=CC1=CC=C(C=C1)OC)C2=CC(=C(C(=C2)OC)OC)OC","KMVBZDDRSWCFSM-MHWRWJLKSA-N",5388755,NA,"PDBC06669","638410","Present",NA,NA
+"6670","(E,2S)-5-[Furan-2-yl(dimethyl)silyl]-3,4-dimethylpent-4-ene-2,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,2S)-5-[Furan-2-yl(dimethyl)silyl]-3,4-dimethylpent-4-ene-2,3-diol",NA,"CC(C(C)(C(=C[Si](C)(C)C1=CC=CO1)C)O)O","WJPKPPFYKVHHNN-DMGJVEMRSA-N",5471939,NA,"PDBC06670","715500","Present",NA,NA
+"6671","(E,2Z)-2-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-4-(furan-2-yl)but-3-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,2Z)-2-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-4-(furan-2-yl)but-3-enoic acid",NA,"C1=COC(=C1)C=CC(=NNC2=NC(=CS2)C3=CC=C(C=C3)Cl)C(=O)O","JUIOKADOFQGSPV-REDRJSMASA-N",45029314,NA,"PDBC06671","746134","Present",NA,NA
+"6672","(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-methylpyrazol-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-4-[(4-chlorophenyl)methylidene]-5-methylpyrazol-3-imine",NA,"CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC4=CC=C(C=C4)Cl)C5=CC(=CC=C5)Cl","JGVGCPNWRCTDCO-SYTCHUCDSA-N",9572376,NA,"PDBC06672","713653","Present",NA,NA
+"6673","(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-4-[(4-methoxyphenyl)methylidene]-5-methylpyrazol-3-imine",NA,"CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC4=CC=C(C=C4)OC)C5=CC(=CC=C5)Cl","HILUSMUKIRNDAQ-AZMYRNFYSA-N",9572377,NA,"PDBC06673","713691","Present",NA,NA
+"6674","(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-(thiophen-2-ylmethylidene)pyrazol-3-imine",NA,"CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC4=CC=CS4)C5=CC(=CC=C5)Cl","KYWQXXRXPNWENK-OQJKFJKISA-N",9572378,NA,"PDBC06674","713692","Present",NA,NA
+"6675","(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,4Z)-N-(1,3-Benzothiazol-2-yl)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-imine",NA,"CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC=CC4=CC=CC=C4)C5=CC(=CC=C5)Cl","CKNPWBDTMZUQJU-RYNKFETMSA-N",9572374,NA,"PDBC06675","713649","Present",NA,NA
+"6676","(E,E)-2-(1-Methyl-3-phenyl-2-propenylidene)hydrazinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-(1-methyl-3-phenyl-2-propenyl...",NA,"CC(=NNC(=S)N)C=CC1=CC=CC=C1","AIVYBZNYDAYFOK-NJHPPEEMSA-N",5405847,NA,"PDBC06676","306890","Present",NA,NA
+"6677","(E,E)-3-Phenyl-N-[2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]prop-2-en-1-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,E)-3-Phenyl-N-[2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]prop-2-en-1-imine",NA,"C1=CC=C(C=C1)C=CC=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC=CC5=CC=CC=C5","SYYDSYLPBWHQQQ-UWSNULGSSA-N",54611483,NA,"PDBC06677","708413","Present",NA,NA
+"6678","(E,E,E)-4,5-Dibromo-octa-2,4,6-trienedioic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (2E,4E,6E)-4,5-dibromoocta-2,4,6-trienedioate",NA,"CCOC(=O)C=CC(=C(C=CC(=O)OCC)Br)Br","JEAIMWLUSUWICZ-BISOHRNISA-N",5471322,NA,"PDBC06678","710444","Present",NA,NA
+"6679","(E,Z)-Farnesol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"farnesol",NA,"CC(=CCCC(=CCCC(=CCO)C)C)C","CRDAMVZIKSXKFV-GNESMGCMSA-N",1549109,NA,"PDBC06679","60597","Present",NA,NA
+"6680","(E/Z)-6,7-Dichloro-3-(3,5-dibromo-4-hydroxybenzylidene)-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-6,7-Dichloro-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-1H-indol-2-one",NA,"C1=CC(=C(C2=C1C(=CC3=CC(=C(C(=C3)Br)O)Br)C(=O)N2)Cl)Cl","XXEUCGGVUVJTEB-BAQGIRSFSA-N",45486324,NA,"PDBC06680","748498","Present",NA,NA
+"6681","(Ethane-1,2-diyl)bis[(methylazanediyl)-3-oxopropane-3,1-diyl] dimethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanamide, N,N'-1,2-ethanediylbis[N-methyl-3-[(methyls...",NA,"CN(CCN(C)C(=O)CCOS(=O)(=O)C)C(=O)CCOS(=O)(=O)C","LLKSYYZEMPKURW-UHFFFAOYSA-N",328851,NA,"PDBC06681","309546","Present",NA,NA
+"6682","(Ethyl(3-pyridinylcarbonyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Ethyl(3-pyridinylcarbonyl)amino)acetic acid",NA,"CCN(CC(=O)O)C(=O)C1=CN=CC=C1","WVPKAYWTSQEKOU-UHFFFAOYSA-N",234303,NA,"PDBC06682","34003","Present",NA,NA
+"6683","(Exo)-Spiro[9,4)]nonane-6,2'-[1,3]dioxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(exo)-Spiro[9,9-dimethyl-[3]-oxatricyclo[3.33.1.0(sup 2,...",NA,"CC1(C2CCC3(C1C4C2O4)OCCO3)C","YHJKNGZRZWKGQZ-UHFFFAOYSA-N",373583,NA,"PDBC06683","650036","Present",NA,NA
+"6684","(Fluoren-9-ylideneamino) hydrogen sulfate; tetrabutylammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrabutylammonium salt of 9-fluorenone oxime O-sulfonic...",NA,"CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C2C(=C1)C3=CC=CC=C3C2=NOS(=O)(=O)[O-]","HXFYLRNKUVSGRO-UHFFFAOYSA-M",389738,NA,"PDBC06684","686335","Present",NA,NA
+"6685","(Hydroxymethoxy)N-methylpyrrolopyrrolizinones",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(hydroxymethoxy)N-methylpyrrolopyrrolizinones",NA,"CN1C=C(C2=C1C(=O)C3=CC=CN32)C4=CC(=C(C=C4)OC)O","LCXYQACKMYONLW-UHFFFAOYSA-N",16061747,NA,"PDBC06685","733670","Present",NA,NA
+"6686","(Inverted exclamation markA)-BAY-1251152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1251152",NA,"COC1=C(C=CC(=C1)F)C2=CC(=NC=C2F)NC3=NC=CC(=C3)CS(=N)(=O)C","YZCUMZWULWOUMD-UHFFFAOYSA-N",74767009,NA,"PDBC06686","802450","Present",NA,NA
+"6687","(Isopropylthio)(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Isopropylthio)(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid",NA,"CC(C)SC(C(=O)O)NC(=O)C1C(CCC1(C)C)(C)C","DKRJRYNVYOLEFY-UHFFFAOYSA-N",383822,NA,"PDBC06687","672439","Present",NA,NA
+"6688","(Methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Methyl(2,3,5-trichloro-6-hydroxybenzyl)amino)acetic acid",NA,"CN(CC1=C(C(=CC(=C1Cl)Cl)Cl)O)CC(=O)O","AFNKCFYOQROHMA-UHFFFAOYSA-N",239729,NA,"PDBC06688","45114","Present",NA,NA
+"6689","(Methyl(2-naphthylsulfonyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBKinase1_005908",NA,"CN(CC(=O)O)S(=O)(=O)C1=CC2=CC=CC=C2C=C1","ZBJPWSYUZNLAFO-UHFFFAOYSA-N",362746,NA,"PDBC06689","627001","Present",NA,NA
+"6690","(Methylsulfonylmethyldisulfanyl)-(methylsulfonylmethylsulfanyl)methane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dysoxysulfone",NA,"CS(=O)(=O)CSCSSCS(=O)(=O)C","QIPXXEUDYHUIPF-UHFFFAOYSA-N",373382,NA,"PDBC06690","649609","Present",NA,NA
+"6691","(Methyl{4-[2-(quinolin-4-yl)ethenyl]phenyl} amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Methyl{4-[2-(quinolin-4-yl)ethenyl]phenyl} amino)acetic...",NA,"CN(CC(=O)O)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23","QAJCAHJKOXUFFT-RMKNXTFCSA-N",6052943,NA,"PDBC06691","408407","Present",NA,NA
+"6692","(N,N'-Dibenzylcarbamimidoyl)urea;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650955",NA,"C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)NC(=O)N.Cl","QJLJKKKEZFRQGH-UHFFFAOYSA-N",373925,NA,"PDBC06692","650955","Present",NA,NA
+"6693","(N,N'-Dicyclohexylcarbamimidoyl) (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(N,N'-Dicyclohexylcarbamimidoyl) (2Z)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetate",NA,"CON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC(=NC5CCCCC5)NC6CCCCC6","HNSCNDGVQLCDCE-FCSWHQHPSA-N",5879461,NA,"PDBC06693","660851","Present",NA,NA
+"6694","(NE)-4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)-N-[[4-(dimethylamino)phenyl]methylidene]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-4-(6,8-dibromo-4-oxo-2-phenylquinazolin-3-yl)-N-[[4-(dimethylamino)phenyl]methylidene]benzenesulfonamide",NA,"CN(C)C1=CC=C(C=C1)C=NS(=O)(=O)C2=CC=C(C=C2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C5=CC=CC=C5","OKZUSJIBICOGLS-KCSSXMTESA-N",45027917,NA,"PDBC06694","740120","Present",NA,NA
+"6695","(NE)-N-(1-phenanthren-3-ylethylidene)hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC140373",NA,"CC(=NO)C1=CC2=C(C=CC3=CC=CC=C32)C=C1","KBJZNSAZGOKTFN-GZTJUZNOSA-N",9561058,NA,"PDBC06695","140373","Present",NA,NA
+"6696","(NE)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=CS5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CS8","JIBSJWOKGFTYCU-MHAUTQJVSA-N",24204649,NA,"PDBC06696","732401","Present",NA,NA
+"6697","(NE)-N-(3-benzoyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-(3-benzoyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=O)CS5)C(=O)C6=CC=CC=C6)C7=CC=CS7","DRXPULLNWGHZEU-NHQGMKOOSA-N",24204651,NA,"PDBC06697","732403","Present",NA,NA
+"6698","(NE)-N-(3-benzyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-(3-benzyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,"C1CSC(=NS(=O)(=O)C2=CC=C(C=C2)N3C(C4CC5=CC=CC=C5C4=N3)C6=CC=CS6)N(C1=O)CC7=CC=CC=C7","KUIPSFPMOTZLOV-QOSDPKFLSA-N",24204644,NA,"PDBC06698","732396","Present",NA,NA
+"6699","(NE)-N-(5-oxo-3-phenyl-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-(5-oxo-3-phenyl-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(CC(=O)CS5)C6=CC=CC=C6)C7=CC=CS7","UOSBZFAOACWLQM-NHQGMKOOSA-N",24204650,NA,"PDBC06699","732402","Present",NA,NA
+"6700","(NE)-N-(6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-(6-amino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride",NA,"C1C(C2=C(SC(=C2C1=NO)Cl)Cl)N.Cl","ISFFOBTVVAKNTM-KODGKZAJSA-N",9572058,NA,"PDBC06700","697525","Present",NA,NA
+"6701","(NE)-N-(6-amino-1,3-diiodo-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-(6-amino-1,3-diiodo-5,6-dihydrocyclopenta[c]thiophen-4-ylidene)hydroxylamine;hydrochloride",NA,"C1C(C2=C(SC(=C2C1=NO)I)I)N.Cl","GEMPNSJAMLYORI-KODGKZAJSA-N",9572057,NA,"PDBC06701","697524","Present",NA,NA
+"6702","(NE)-N-(9H-fluoren-9-ylmethylidene)hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-(9H-fluoren-9-ylmethylidene)hydroxylamine",NA,"C1=CC=C2C(=C1)C(C3=CC=CC=C32)C=NO","HHXFPUAHUDLFEA-OQLLNIDSSA-N",9562446,NA,"PDBC06702","126782","Present",NA,NA
+"6703","(NE)-N-[(2E,4E)-5-(dimethylamino)-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]penta-2,4-dienylidene]-1,1,1-trifluoromethanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(2E,4E)-5-(dimethylamino)-2-[1-(trifluoromethylsulfonyl)-4H-pyridin-4-yl]penta-2,4-dienylidene]-1,1,1-trifluoromethanesulfonamide",NA,"CN(C)C=CC=C(C=NS(=O)(=O)C(F)(F)F)C1C=CN(C=C1)S(=O)(=O)C(F)(F)F","DSSPGWGOXYWEBC-QWYOPQJPSA-N",9572132,NA,"PDBC06703","704375","Present",NA,NA
+"6704","(NE)-N-[(3E,5S,8R,9S,10S,13S,14S)-3-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(3E,5S,8R,9S,10S,13S,14S)-3-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,"CC12CCC(=NO)CC1CCC3C2CCC4(C3CCC4=NO)C","VSOSHXRSNPGDSE-HMOCUJAASA-N",24203754,NA,"PDBC06704","729364","Present",NA,NA
+"6705","(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-16-[(3,4-dimethoxyphenyl)methylidene]-3-hydroxyimino-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,"CC12CCC(=NO)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OC)OC)C4=NO)C","TXTMCSYQNDSQST-MBHGGMOTSA-N",9572443,NA,"PDBC06705","716260","Present",NA,NA
+"6706","(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-3-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-3-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,"CC12CCC(=NO)C=C1CCC3C2CCC4(C3CC(=CC5=CN=CC=C5)C4=NO)C","BROWXOPUZORSLX-IQBHFBCUSA-N",9572510,NA,"PDBC06706","718810","Present",NA,NA
+"6707","(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,"CC12CCC(=NO)C=C1CCC3C2CCC4(C3CC(=CC5=CC=NC=C5)C4=NO)C","XFNNZVHRRXGRCM-QSWWXAKASA-N",135436267,NA,"PDBC06707","716561","Present",NA,NA
+"6708","(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,"CC12CCC(=NO)C=C1CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4=NO)C","DESWPBOUGFADNV-MSABATKVSA-N",9572506,NA,"PDBC06708","718183","Present",NA,NA
+"6709","(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(3E,8R,9S,10R,13S,14S,16E)-3-hydroxyimino-16-[(4-methoxyphenyl)methylidene]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,"CC12CCC(=NO)C=C1CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)OC)C4=NO)C","NWZJBNJSYJRIAZ-VKVNZMKESA-N",9572454,NA,"PDBC06709","716564","Present",NA,NA
+"6710","(NE)-N-[(3S,8R,10R,13S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(3S,8R,10R,13S)-10,13-dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,"CC12CCC3C(C1CCC2=NO)CC=C4C3(CCC(C4)OC5CCCCO5)C","VREWEALEZAJOQR-FMGSIHJKSA-N",9569954,NA,"PDBC06710","629223","Present",NA,NA
+"6711","(NE)-N-[(4E)-1,3-dibromo-4-hydroxyiminocyclopenta[c]thiophen-6-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(4E)-1,3-dibromo-4-hydroxyiminocyclopenta[c]thiophen-6-ylidene]hydroxylamine",NA,"C1C(=NO)C2=C(SC(=C2C1=NO)Br)Br","PUIUOZJBQWAZHU-NXOFHUPFSA-N",9572130,NA,"PDBC06711","704124","Present",NA,NA
+"6712","(NE)-N-[(8R,10R,13S,17S)-10,13-dimethyl-17-(oxan-2-yloxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(8R,10R,13S,17S)-10,13-dimethyl-17-(oxan-2-yloxy)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]hydroxylamine",NA,"CC12CCC3C(C1CCC2OC4CCCCO4)CCC5=CC(=NO)CCC35C","XRCIYJJTNSAVKA-MBWNAKBLSA-N",9569961,NA,"PDBC06712","629230","Present",NA,NA
+"6713","(NE)-N-[(8R,13S,16E)-16-hydroxyimino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(8R,13S,16E)-16-hydroxyimino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-ylidene]hydroxylamine",NA,"CC12CCC3C(C1CC(=NO)C2=NO)CCC4=C3C=CC(=C4)OC","NMUVSECAZHSGNB-OEUFEACZSA-N",135499352,NA,"PDBC06713","653948","Present",NA,NA
+"6714","(NE)-N-[1-(9-bromophenanthren-3-yl)ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-(9-bromophenanthren-3-yl)ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br","MNNDVSWQIULTHP-VCHYOVAHSA-N",5351779,NA,"PDBC06714","44477","Present",NA,NA
+"6715","(NE)-N-[1-[(3R,6E,8R,11S,12S,15S,16R)-6-hydroxyimino-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-[(3R,6E,8R,11S,12S,15S,16R)-6-hydroxyimino-7,7,12,16-tetramethyl-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(=NO)C5(C)C)C)C","FELIHRKJMZGYPM-JNQJMZCHSA-N",24204297,NA,"PDBC06715","731283","Present",NA,NA
+"6716","(NE)-N-[1-[3-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-[3-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","PHLZTBMCHHIBOJ-WSDLNYQXSA-N",9572574,NA,"PDBC06716","720565","Present",NA,NA
+"6717","(NE)-N-[1-[3-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-[3-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CN=C4","SWTWFHPLHCSIEM-ZVHZXABRSA-N",24204873,NA,"PDBC06717","733303","Present",NA,NA
+"6718","(NE)-N-[1-[3-[[4-(triazol-1-yl)quinolin-2-yl]amino]phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-[3-[[4-(triazol-1-yl)quinolin-2-yl]amino]phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CN=N4","IKIYUTFWLWRNIO-YDZHTSKRSA-N",24204874,NA,"PDBC06718","733304","Present",NA,NA
+"6719","(NE)-N-[1-[4-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-[4-(furo[3,2-c]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","BDCDYSPYGPCUPP-WSDLNYQXSA-N",9572572,NA,"PDBC06719","720561","Present",NA,NA
+"6720","(NE)-N-[1-[4-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-[4-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","BYUSNMVMDMMGRC-JVWAILMASA-N",11589053,NA,"PDBC06720","727473","Present",NA,NA
+"6721","(NE)-N-[1-[4-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-[4-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC=C(C=C1)NC2=C3C4=C(C=C(C=C4)OC)C(=C3C5=CC=CC=C5N2)N=O","JAJITLIZYOPRFB-CCVNUDIWSA-N",24205213,NA,"PDBC06721","734631","Present",NA,NA
+"6722","(NE)-N-[1-[4-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-[4-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4","IYGCCIPBALYFHI-JFLMPSFJSA-N",135585428,NA,"PDBC06722","727454","Present",NA,NA
+"6723","(NE)-N-[2-[4-methoxy-2-(methoxymethoxy)phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[2-[4-methoxy-2-(methoxymethoxy)phenyl]ethylidene]hydroxylamine",NA,"COCOC1=C(C=CC(=C1)OC)CC=NO","ZGBIEVFQVXVPHP-WUXMJOGZSA-N",9572152,NA,"PDBC06723","705161","Present",NA,NA
+"6724","(NE)-N-[[(4R,4aR,8aS)-4-prop-2-enyl-2-(2-trimethylsilylethylsulfonyl)-1,3,4a,5,8,8a-hexahydroisoquinolin-4-yl]methylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[[(4R,4aR,8aS)-4-prop-2-enyl-2-(2-trimethylsilylethylsulfonyl)-1,3,4a,5,8,8a-hexahydroisoquinolin-4-yl]methylidene]hydroxylamine",NA,"C[Si](C)(C)CCS(=O)(=O)N1CC2CC=CCC2C(C1)(CC=C)C=NO","VLUDRRNHOOXKMS-VWQWLJPISA-N",9572081,NA,"PDBC06724","701978","Present",NA,NA
+"6725","(NE)-N-[[3-(3,4,4-trimethyl-5H-1,3-oxazol-3-ium-2-yl)pyridin-2-yl]methylidene]hydroxylamine;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[[3-(3,4,4-trimethyl-5H-1,3-oxazol-3-ium-2-yl)pyridin-2-yl]methylidene]hydroxylamine;iodide",NA,"CC1(COC(=[N+]1C)C2=C(N=CC=C2)C=NO)C.[I-]","AKOQTFJADSNOME-UHFFFAOYSA-N",135499214,NA,"PDBC06725","644881","Present",NA,NA
+"6726","(NE)-N-[phenyl(piperidin-1-yl)methylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624726",NA,"C1CCN(CC1)C(=NO)C2=CC=CC=C2","UVXXXESJTHCKLS-OUKQBFOZSA-N",5367900,NA,"PDBC06726","624726","Present",NA,NA
+"6727","(NZ)-4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)-N-(4-oxo-3-phenyl-1,3-thiazinan-2-ylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)-N-(4-oxo-3-phenyl-1,3-thiazinan-2-ylidene)benzenesulfonamide",NA,"CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=O)CCS5)C6=CC=CC=C6","WCLNYIAQQWJWPM-HYOGKJQXSA-N",24203727,NA,"PDBC06727","729206","Present",NA,NA
+"6728","(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)benzenesulfonamide",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=CS5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=C(C=C8)Cl","OZQYHDZBMAQHTR-CUXNAULPSA-N",24204757,NA,"PDBC06728","732739","Present",NA,NA
+"6729","(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-4-[3-(4-chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]-N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzenesulfonamide",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=O)CS5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl","YDSCWZVNGNBYGS-NMSHJFGGSA-N",24204756,NA,"PDBC06729","732738","Present",NA,NA
+"6730","(NZ)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-[3-(4-methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-(3,4-diphenyl-1,3-thiazol-2-ylidene)-4-[3-(4-methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)N=C6N(C(=CS6)C7=CC=CC=C7)C8=CC=CC=C8","DKYWLJXMQSKSHG-QMRMMQACSA-N",24204765,NA,"PDBC06730","732747","Present",NA,NA
+"6731","(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazinan-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,"C1CSC(=NS(=O)(=O)C2=CC=C(C=C2)N3C(C4CC5=CC=CC=C5C4=N3)C6=CC=CS6)N(C1=O)C(=O)C7=CC=CC=C7","MCXNHKYNJCADQB-FPODKLOTSA-N",24204653,NA,"PDBC06731","732405","Present",NA,NA
+"6732","(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-(3-benzoyl-4-oxo-1,3-thiazolidin-2-ylidene)-4-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)benzenesulfonamide",NA,"CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=O)CS5)C(=O)C6=CC=CC=C6","COIYXZXSUVVNTF-HYOGKJQXSA-N",24203726,NA,"PDBC06732","729205","Present",NA,NA
+"6733","(NZ)-N-(3-benzoyl-4-phenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-(3-benzoyl-4-phenyl-1,3-thiazol-2-ylidene)-4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N=C5N(C(=CS5)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)C8=CC=CS8","FOFXLQUHNSTOPF-WASYMBJWSA-N",24204652,NA,"PDBC06733","732404","Present",NA,NA
+"6734","(NZ)-N-(4H-thiochromen-3-ylidene)hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664541",NA,"C1C(=NO)CSC2=CC=CC=C21","IANGBPVSWNHCGC-NTMALXAHSA-N",5465846,NA,"PDBC06734","664541","Present",NA,NA
+"6735","(NZ)-N-[(2E)-1-(10,10-dioxophenoxathiin-2-yl)-2-hydroxyiminoethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[(2E)-1-(10,10-dioxophenoxathiin-2-yl)-2-hydroxyiminoethylidene]hydroxylamine",NA,"C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)C(=NO)C=NO","YPSPHLYMTABLQK-FAYHMPLTSA-N",135436312,NA,"PDBC06735","718149","Present",NA,NA
+"6736","(NZ)-N-[(2E)-2-hydroxyimino-1-phenoxathiin-2-ylethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[(2E)-2-hydroxyimino-1-phenoxathiin-2-ylethylidene]hydroxylamine",NA,"C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=NO)C=NO","UNNQAUVGPPNVGU-FAYHMPLTSA-N",135436313,NA,"PDBC06736","718152","Present",NA,NA
+"6737","(NZ)-N-[(3Z)-1-ethyl-3-hydroxyimino-azacyclotridec-4-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[(3Z)-1-ethyl-3-hydroxyimino-azacyclotridec-4-ylidene]hydroxylamine",NA,"CCN1CCCCCCCCCC(=NO)C(=NO)C1","PIMCFRYVIVJDQI-VMNXYWKNSA-N",135509536,NA,"PDBC06737","100225","Present",NA,NA
+"6738","(NZ)-N-[(4E)-1-benzyl-4-hydroxyimino-8-morpholin-4-yl-10-tricyclo[5.3.1.03,8]undecanylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-bishydroxyimino-4-(4-morpholinyl)-1-phenylmethyl tri...",NA,"C1CC(=NO)C2CC3(CC1C2(CC3=NO)N4CCOCC4)CC5=CC=CC=C5","QNEAMANBFQKGEZ-CBAIGBLSSA-N",5904243,NA,"PDBC06738","666706","Present",NA,NA
+"6739","(NZ)-N-[(4Z)-4-hydroxyimino-8-morpholin-4-yl-1-prop-1-en-2-yl-10-tricyclo[5.3.1.03,8]undecanylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bishydroxyimino-1-isopropenyl-4(N-morpholino)tricycl...",NA,"CC(=C)C12CC3CCC(=NO)C(C1)C3(CC2=NO)N4CCOCC4","JHANOPFUTJSLLU-IKBKFCNISA-N",6141253,NA,"PDBC06739","674057","Present",NA,NA
+"6740","(NZ)-N-[1-[(9E)-9-hydroxyiminofluoren-2-yl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[1-[(9E)-9-hydroxyiminofluoren-2-yl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC2=C(C=C1)C3=CC=CC=C3C2=NO","NTBKDTVVDKHXEL-KKWCCJFHSA-N",135509644,NA,"PDBC06740","109583","Present",NA,NA
+"6741","(NZ)-N-[1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[1-[3-(11H-indolo[3,2-c]quinolin-6-ylamino)phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4","CFFACRWPWIZWGJ-VYYCAZPPSA-N",9572584,NA,"PDBC06741","721040","Present",NA,NA
+"6742","(NZ)-N-[1-[3-[(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[1-[3-[(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC(=CC=C1)NC2=NC3=C(C=C(C=C3)Cl)C4=C2C5=CC=CC=C5N4","XWLBCQQXNSTOCR-QDTIIGTASA-N",9572586,NA,"PDBC06742","721042","Present",NA,NA
+"6743","(NZ)-N-[1-[3-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[1-[3-[(6-methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","KAGMDPAMBBYQEG-YUMHPJSZSA-N",24203283,NA,"PDBC06743","727486","Present",NA,NA
+"6744","(NZ)-N-[1-[3-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[1-[3-[(9-methoxy-11-nitroso-5H-indeno[1,2-c]quinolin-6-yl)amino]phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC(=CC=C1)NC2=C3C4=C(C=C(C=C4)OC)C(=C3C5=CC=CC=C5N2)N=O","ARZPKOMJZQRMCB-MUXKCCDJSA-N",24205215,NA,"PDBC06744","734633","Present",NA,NA
+"6745","(NZ)-N-[1-[3-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[1-[3-[[2-(benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC(=CC=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4","JJHNTJPJDYVKOQ-DICXZTSXSA-N",24203263,NA,"PDBC06745","727456","Present",NA,NA
+"6746","(NZ)-N-[1-[4-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-[4-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42","BVRYLKZGGGMMGM-WSDLNYQXSA-N",9572568,NA,"PDBC06746","720553","Present",NA,NA
+"6747","(NZ)-N-[1-[4-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[1-[4-[(4-imidazol-1-ylquinolin-2-yl)amino]phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=C2)N4C=CN=C4","DLIQDTCDTLRXIS-OYKKKHCWSA-N",24204871,NA,"PDBC06747","733301","Present",NA,NA
+"6748","(NZ)-N-[3,5-bis(2-methyl-1H-indol-3-yl)-4,5-dihydrooxazin-6-ylidene]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[3,5-bis(2-methyl-1H-indol-3-yl)-4,5-dihydrooxazin-6-ylidene]hydroxylamine",NA,"CC1=C(C2=CC=CC=C2N1)C3CC(=NOC3=NO)C4=C(NC5=CC=CC=C54)C","KBMPJPPAULXXFY-LVWGJNHUSA-N",135510090,NA,"PDBC06748","627403","Present",NA,NA
+"6749","(NZ)-N-[4-[4-[(2Z)-2-(oxohydrazinylidene)-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl]-3-prop-2-enyl-1,3-thiazol-2-ylidene]nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[4-[4-[(2Z)-2-(oxohydrazinylidene)-3-prop-2-enyl-1,3-thiazol-4-yl]phenyl]-3-prop-2-enyl-1,3-thiazol-2-ylidene]nitrous amide",NA,"C=CCN1C(=CSC1=NN=O)C2=CC=C(C=C2)C3=CSC(=NN=O)N3CC=C","SLADPVDBQVKRBD-CLFAGFIQSA-N",9571534,NA,"PDBC06749","681077","Present",NA,NA
+"6750","(Naphthylamino)-N-(1,2,4-triazol-4-yl)carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Naphthalen-1-yl-3-(4h-1,2,4-triazol-4-yl)urea",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)NN3C=NN=C3","QQGHJCMCDDTUAE-UHFFFAOYSA-N",393651,NA,"PDBC06750","695916","Present",NA,NA
+"6751","(Naphthylamino)-N-{12-[(naphthylamino)carbonylamino]dodecyl}carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Naphthalen-1-yl-3-[12-(naphthalen-1-ylcarbamoylamino)dodecyl]urea",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCCCCCCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43","MUESJHKSFSWOCI-UHFFFAOYSA-N",387933,NA,"PDBC06751","682238","Present",NA,NA
+"6752","(Phenylindolyl)maleimide deriv. 67",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767246",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","NQCRLEIXYKDVLE-UHFFFAOYSA-N",5327709,NA,"PDBC06752","767246","Present",NA,NA
+"6753","(Phenylsulfonimidoyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diphenyl sulfoximine",NA,"C1=CC=C(C=C1)S(=N)(=O)C2=CC=CC=C2","KNPJTNDEHOFWKA-UHFFFAOYSA-N",425251,NA,"PDBC06753","172172","Present",NA,NA
+"6754","(Phenylsulfonyl)(3-pyridylquinoxalin-2-yl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Phenylsulfonyl)(3-pyridylquinoxalin-2-yl)amine",NA,"C1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2[N+]4=CC=CC=C4","CEKPABPRVXCBGR-UHFFFAOYSA-N",389590,NA,"PDBC06754","685893","Present",NA,NA
+"6755","(Pyridin-2-yl)([1,2,3]triazolo[1,5-a]pyridin-3-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Picolinoyl-1,5-[1,3]butadieno-1H-1,2,3-triazole",NA,"C1=CC=NC(=C1)C(=O)C2=C3C=CC=CN3N=N2","QKGQBNBVZVLUKT-UHFFFAOYSA-N",304359,NA,"PDBC06755","196166","Present",NA,NA
+"6756","(Pyridin-4ylmethylene-hydrazinocarbonylmethylsulfanyl)acetic acid (pyridin-4ylmethylene)-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(pyridin-4ylmethylene-hydrazinocarbonylmethylsulfanyl)ac...",NA,"C1=CN=CC=C1C=NNC(=O)CSCC(=O)NN=CC2=CC=NC=C2","DNDPSPUWOCYRRC-LQGKIZFRSA-N",9572693,NA,"PDBC06756","724345","Present",NA,NA
+"6757","(Pyridine-3-carbonylamino)methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(nicatinamidomethyl)phosphonic acid",NA,"C1=CC(=CN=C1)C(=O)NCP(=O)(O)O","VJTVPFYNVMKBDX-UHFFFAOYSA-N",274553,NA,"PDBC06757","120639","Present",NA,NA
+"6758","(R)-(-)-Gossypol acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-(-)-Gossypol acetic acid",NA,"CCCCCC.CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(C)(C)OC","SVLQCNGYVGQCDS-UHFFFAOYSA-N",24203396,NA,"PDBC06758","727859","Present",NA,NA
+"6759","(R)-(6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-(6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methanol",NA,"CC1(OCC(O1)C2C(OC(O2)(C)C)C(C3=NN=C4N3N=C(C=C4)Cl)O)C","VPVFCQMNIQIZHC-GHORINQJSA-N",397774,NA,"PDBC06759","706197","Present",NA,NA
+"6760","(R)-13-(3-Aminopyrrolidin-1-yl)-12-fluoro-10-oxo-10H-naphtho[1,2-c]pyrido[3,2,1-kl]phenoxazine-9-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-[(3R)-3-Aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.05,14.06,11.021,25]pentacosa-2(15),3,5(14),6,8,10,12,17(25),18,20,23-undecaene-23-carboxylic acid",NA,"C1CN(CC1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=CC6=C5C=CC7=CC=CC=C76)F","ODUKWYWEUZJFKM-OAHLLOKOSA-N",400718,NA,"PDBC06760","713082","Present",NA,NA
+"6761","(R)-2-(Methylthio)-4-phenyl-2-thiazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689733",NA,"CSC1=NC(CS1)C2=CC=CC=C2","XFLWFNGULCPZSB-VIFPVBQESA-N",391115,NA,"PDBC06761","689733","Present",NA,NA
+"6762","(R)-2-Chloro-N-(2-(5-(dimethylamino)naphthalene-1-sulfonamido)ethyl)-4-((2-((1-hydroxy-3-methylbutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-2-chloro-N-(2-(5-(dimethylamino)naphthalene-1-sulfon...",NA,"CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)C(=O)NCCNS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)Cl","NJNQGMFCZFMREY-MHZLTWQESA-N",44626421,NA,"PDBC06762","768637","Present",NA,NA
+"6763","(R)-3-Hydroxy-4-phenoxybutanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666729",NA,"C1=CC=C(C=C1)OCC(CC#N)O","KJJPPYGFSUFUAH-SECBINFHSA-N",380943,NA,"PDBC06763","666729","Present",NA,NA
+"6764","(R)-3-Methyl-4-(4-(1-methyl-1H-pyrazol-5-yl)-8-(1H-pyrazol-3-yl)-1,7-naphthyridin-2-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1895344///BAY1895344",NA,"CC1COCCN1C2=NC3=C(C=CN=C3C4=CC=NN4)C(=C2)C5=CC=NN5C","YBXRSCXGRPSTMW-CYBMUJFWSA-N",118869362,NA,"PDBC06764","800525///817275","Present",NA,NA
+"6765","(R)-4-((1R,8E,10Z,12S,15R,17R)-17-Hydroxy-5,12-dimethyl-3-oxo-2,16-dioxabicyclo[13.3.1]nonadeca-4,8,10-trien-17-yl)-3-(hydroxymethyl)thiazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-4-((1R,4Z,8E,10Z,12S,15R,17R)-17-hydroxy-5,12-dimeth...",NA,"CC1CCC2CC(CC(O2)(C3CSC(=O)N3CO)O)OC(=O)C=C(CCC=CC=C1)C","KPHFCEHLXFRNMH-PGZQALPFSA-N",46239449,NA,"PDBC06765","749377","Present",NA,NA
+"6766","(R)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6,7-dihydro-6-(3-m...",NA,"COC1=CC=CC(=C1)C2CC(=O)C3=CC4=C(C=C3N2)OCO4","IIXRKOHTDRHQQN-CYBMUJFWSA-N",395559,NA,"PDBC06766","700265","Present",NA,NA
+"6767","(R)-Duloxetine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-Duloxetine hydrochloride",NA,NA,"CNCCC(C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl","BFFSMCNJSOPUAY-UNTBIKODSA-N",23656722,NA,"PDBC06767",NA,"Absent",NA,NA
+"6768","(R)-Mahanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-Mahanine",NA,"CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)NC4=C2C=CC(=C4)O","DWMBXHWBPZZCTN-UHFFFAOYSA-N",375151,NA,"PDBC06768","654285","Present",NA,NA
+"6769","(R)-Methyl 2-oxooxazolidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676713",NA,"COC(=O)C1COC(=O)N1","PZIWTVKXOORXAZ-GSVOUGTGSA-N",385465,NA,"PDBC06769","676713","Present",NA,NA
+"6770","(R)-alpha,5-Dime-XAA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-Alpha,5-diMe-XAA",NA,"CC1=C2C(=CC=C1)C(=O)C3=C(O2)C(=CC=C3)C(C)C(=O)O.[Na+]","MHGQDJBMDWNPRP-HNCPQSOCSA-N",54608947,NA,"PDBC06770","677595","Present",NA,NA
+"6771","(R,R)-Diop",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R,R)-Diop",NA,"CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C","VCHDBLPQYJAQSQ-UHFFFAOYSA-N",122582,NA,"PDBC06771","699412","Present",NA,NA
+"6772","(S)-(+)-Massoialactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)- 5,6-Dihydro-6-pentyl-2H-pyran-2-one",NA,"CCCCCC1CC=CC(=O)O1","NEDIAPMWNCQWNW-VIFPVBQESA-N",404821,NA,"PDBC06772","721360","Present",NA,NA
+"6773","(S)-1-(Sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-126///GSK126 HCl",NA,"CCC(C)N1C=C(C2=C(C=C(C=C21)C3=CN=C(C=C3)N4CCNCC4)C(=O)NCC5=C(C=C(NC5=O)C)C)C","FKSFKBQGSFSOSM-QFIPXVFZSA-N",68210102,NA,"PDBC06773","780041///789702","Present",NA,NA
+"6774","(S)-10,11-Methelenedioxycamptothecin lactam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-10,11-Methelenedioxycamptothecin lactam",NA,"CCC1(C2=C(CNC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)O","TUZDSEBWMNWAIZ-NRFANRHFSA-N",155805055,NA,"PDBC06774","690391","Present",NA,NA
+"6775","(S)-2-(2-Pyridinyl)-4-methyl-2-oxazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-2-(2-Pyridinyl)-4-methyl-2-oxazoline",NA,"CC1COC(=N1)C2=CC=CC=N2","GNRGLELRZLUULL-ZETCQYMHSA-N",6711319,NA,"PDBC06775","618078","Present",NA,NA
+"6776","(S)-2-(4-Fluorophenylsulfonamido)-2-phenylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626934",NA,"C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F","RDYJUVZFLCNBPH-ZDUSSCGKSA-N",362695,NA,"PDBC06776","626934","Present",NA,NA
+"6777","(S)-2-(4-Methoxyphenylsulfonamido)-2-phenylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626932",NA,"COC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O","AFNBBRUKSKERPY-AWEZNQCLSA-N",362693,NA,"PDBC06777","626932","Present",NA,NA
+"6778","(S)-2-Amino-5-(((R)-3-(((4-bromophenyl)(hydroxy)carbamoyl)thio)-1-((carboxymethyl)amino)-1-oxopropan-2-yl)amino)-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",NA,"C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)Br","IQPLOQWSCZRUCA-UHFFFAOYSA-N",375165,NA,"PDBC06778","693568","Present",NA,NA
+"6779","(S)-2-Amino-N-(1-(8-((1-methyl-1H-pyrazol-4-yl)ethynyl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795067///NSC801002",NA,"CC(C1=CC2=C(C(=CC=C2)C#CC3=CN(N=C3)C)C(=O)N1C4=CC=CC=C4)NC(=O)C5=C6N=CC=CN6N=C5N","XUMALORDVCFWKV-IBGZPJMESA-N",91933883,NA,"PDBC06779","795067///801002","Present",NA,NA
+"6780","(S)-2-Guanidinopropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-2-Guanidinopropanoic acid",NA,"CC(C(=O)O)N=C(N)N","DVNFLGLGNLXITH-UHFFFAOYSA-N",102685,NA,"PDBC06780","57810","Present",NA,NA
+"6781","(S)-2-[4-[2-(2,4-Diaminopyrido[2,3-d]pyrimidine-5-yl)ethyl]benzoylamino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-2-[4-[2-(2,4-Diaminopyrido[2,3-d]pyrimidine-5-yl)ethyl]benzoylamino]pentanedioic acid",NA,"C1=CC(=CC=C1CCC2=C3C(=NC(=NC3=NC=C2)N)N)C(=O)NC(CCC(=O)O)C(=O)O","PJJAAFHOIZFSDR-AWEZNQCLSA-N",402874,NA,"PDBC06781","717164","Present",NA,NA
+"6782","(S)-4-Isopropyl-3-propionyloxazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BCP24707",NA,"CCC(=O)N1C(COC1=O)C(C)C","HOWPHXVPNNPSAZ-UHFFFAOYSA-N",190974,NA,"PDBC06782","620040","Present",NA,NA
+"6783","(S)-5-Methyl-3-[8-hydroxy-13,16,19,22-tetraoxadotriacontane-1-yl]furan-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S)-4-[12-[2-[2-(2-Decoxyethoxy)ethoxy]ethoxy]-8-hydroxydodecyl]-2-methyl-2H-furan-5-one",NA,"CCCCCCCCCCOCCOCCOCCOCCCCC(CCCCCCCC1=CC(OC1=O)C)O","WDAUGOLLDKOZFO-TZYYSAMKSA-N",390525,NA,"PDBC06783","687966","Present",NA,NA
+"6784","(S)-6-(3-Methoxy-phenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6S)-6-(3-Methoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,"COC1=CC=CC(=C1)C2CC(=O)C3=CC4=C(C=C3N2)OCO4","IIXRKOHTDRHQQN-ZDUSSCGKSA-N",395557,NA,"PDBC06784","700263","Present",NA,NA
+"6785","(S)-7-Acetoxy-6,7-dihydro-10-methylthio-1,2,3-trimethoxybenzo[a]heptalen-9(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(7S)-1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] acetate",NA,"CC(=O)OC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","LLSIBTDXBWUAIU-KRWDZBQOSA-N",391586,NA,"PDBC06785","691041","Present",NA,NA
+"6786","(S)-9-Acetylaminocamptothecin lactam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-9-Acetylaminocamptothecin lactam",NA,"CCC1(C2=C(CNC1=O)C(=O)N3CC4=CC5=C(C=CC=C5NC(=O)C)N=C4C3=C2)O","IFWZSLMVWBEJQU-QFIPXVFZSA-N",155806809,NA,"PDBC06786","690390","Present",NA,NA
+"6787","(S)-Boldine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"boldin",NA,"CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)O","LZJRNLRASBVRRX-UHFFFAOYSA-N",248507,NA,"PDBC06787","65689","Present",NA,NA
+"6788","(S)-Buchnerine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656710",NA,"COC1=CC=C(C=C1)C2CC(=O)NCCCNCCCCNCCCN2","YMAWLWVKJGYXTR-IBGZPJMESA-N",376176,NA,"PDBC06788","656710","Present",NA,NA
+"6789","(S)-Ceralasertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-6738 ( R,S-isomer)",NA,"CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=N)(=O)C)C4=C5C=CNC5=NC=C4","OHUHVTCQTUDPIJ-MUWSIPGASA-N",54761305,NA,"PDBC06789","780250","Present",NA,NA
+"6790","(S)-Diethoxyphosphoryl(thiophen-3-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-Diethoxyphosphoryl(thiophen-3-yl)methanol",NA,"CCOP(=O)(C(C1=CSC=C1)O)OCC","NYCBNAJPFRZYBL-VIFPVBQESA-N",396290,NA,"PDBC06790","701988","Present",NA,NA
+"6791","(S)-Dimethoxyphosphoryl-[(1S,2S)-2-phenylcyclopropyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-Dimethoxyphosphoryl-[(1S,2S)-2-phenylcyclopropyl]methanol",NA,"COP(=O)(C(C1CC1C2=CC=CC=C2)O)OC","CBWPDBHFIMPYON-WOPDTQHZSA-N",397385,NA,"PDBC06791","705129","Present",NA,NA
+"6792","(S)-N-(5,7,9-Tetrahydro-1,2,3-trimethoxy-1-(methylthio)-9-oxobenzo[A]heptalen-7-YL)beutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanamide, N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(m...",NA,"CCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","ZEBQELDBCIBMMZ-KRWDZBQOSA-N",337948,NA,"PDBC06792","358257","Present",NA,NA
+"6793","(S)-N-Benzylidene-1-methoxy-3-phenylpropan-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671854",NA,"COCC(CC1=CC=CC=C1)N=CC2=CC=CC=C2","SUBNLDMYESIJHW-KRWDZBQOSA-N",383468,NA,"PDBC06793","671854","Present",NA,NA
+"6794","(S)-Naproxen-propargylester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-Naproxen-propargylester",NA,"CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)OCC#C","RPLLXWJHCSDOLS-LBPRGKRZSA-N",390923,NA,"PDBC06794","689144","Present",NA,NA
+"6795","(S)-Spinacine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-Spinacine",NA,"C1C(NCC2=C1N=CN2)C(=O)O","YCFJXOFFQLPCHD-UHFFFAOYSA-N",363935,NA,"PDBC06795","629424","Present",NA,NA
+"6796","(S)-alpha,5-Dime-XAA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-Alpha,5-diMe-XAA",NA,"CC1=C2C(=CC=C1)C(=O)C3=C(O2)C(=CC=C3)C(C)C(=O)O.[Na+]","MHGQDJBMDWNPRP-PPHPATTJSA-N",54602007,NA,"PDBC06796","677594","Present",NA,NA
+"6797","(S)9-Amino-20-O-(N,N-dimethyl)glycinyl camptothecin.HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)9-Amino-20-O-(N,N-dimethyl)glycinyl camptothecin.HCl",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)OC(=O)CN(C)C.Cl","VCFQXXKUPMCLFP-JIDHJSLPSA-N",11969927,NA,"PDBC06797","639176","Present",NA,NA
+"6798","(S,5-Dimethoxy N-(alpha-Phenethyl)phenyl isopropylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658455",NA,"CC(CC1=CC(=CC(=C1)OC)OC)NC(C)C2=CC=CC=C2","SYEUWNAKPZKYGI-LOACHALJSA-N",5467734,NA,"PDBC06798","658455","Present",NA,NA
+"6799","(S,5-Dimethoxy N-(alpha-Phenethyl)phenyl isopropylamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658456",NA,"CC(CC1=CC(=CC(=C1)OC)OC)NC(C)C2=CC=CC=C2.Cl","AGJQADPUBXYJQQ-SCYKNNLXSA-N",5467735,NA,"PDBC06799","658456","Present",NA,NA
+"6800","(S,S)-(+)-Bis(2-chloropropyl)sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S,S)-(+)-Bis(2-chloropropyl)sulfide",NA,"CC(CSCC(C)Cl)Cl","AQHTWLYIOSPNMG-WDSKDSINSA-N",400538,NA,"PDBC06800","712583","Present",NA,NA
+"6801","(S-Trityl)-L-cysteinyl-glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(s-trityl)-l-cysteinyl-glycine",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)NCC(=O)O)N","CQWAYRTZXZSUEP-UHFFFAOYSA-N",98425,NA,"PDBC06801","127736","Present",NA,NA
+"6802","(Thiopen-2-ylmethylene-hydrazinocarbonylmethylsulfanyl) ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Thiopen-2-ylmethylene-hydrazinocarbonylmethylsulfanyl) ...",NA,"C1=CSC(=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=CS2","XOBJPWYUGZDVNV-BGPOSVGRSA-N",9572694,NA,"PDBC06802","724346","Present",NA,NA
+"6803","(Triphenylphosphoranylidene)ketene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bestmann Ylide",NA,"C1=CC=C(C=C1)P(=C=C=O)(C2=CC=CC=C2)C3=CC=CC=C3","MNASRBWCHRURHY-UHFFFAOYSA-N",359581,NA,"PDBC06803","620573","Present",NA,NA
+"6804","(Z) 2',3,4,5-Tetramethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z) 2',3,4,5-Tetramethoxystilbene",NA,"COC1=CC=CC=C1C=CC2=CC(=C(C(=C2)OC)OC)OC","OTYSBQKXEWBXFR-KTKRTIGZSA-N",5388740,NA,"PDBC06804","638390","Present",NA,NA
+"6805","(Z) 3,3',4,5-Tetramethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z) 3,3',4,5-Tetramethoxystilbene",NA,"COC1=CC=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","HDVYOENGFYGXCE-HJWRWDBZSA-N",5388774,NA,"PDBC06805","638492","Present",NA,NA
+"6806","(Z) 3,4,4',5-Tetramethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z) 3,4,4',5-Tetramethoxystilbene",NA,"COC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","GGFQQRXTLIJXNY-WAYWQWQTSA-N",5388779,NA,"PDBC06806","638499","Present",NA,NA
+"6807","(Z)-(2-(Hydroxymethyl)-4-(3-isobutyl-5-methylhexylidene)-5-oxo-tetrahydrofuran-2-yl)methyl pivalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC714071///(+-)-2,2-Dimethylpropionic acid (Z)-{2-(hydroxymethyl)-4...",NA,"CC(C)CC(CC=C1CC(OC1=O)(CO)COC(=O)C(C)(C)C)CC(C)C","XKEOGEXDEKIDNA-NVMNQCDNSA-N",5471818,NA,"PDBC06807","714071///722219","Present",NA,NA
+"6808","(Z)-(2-Pyridyl)phenyl ketone (5-nitro-2-pyridyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine",NA,"C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3","VBORWHKZBJTTEU-HEHNFIMWSA-N",6519692,NA,"PDBC06808","693620","Present",NA,NA
+"6809","(Z)-(3-Benzylanilino)((3-benzylphenyl)imino)methanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-(3-Benzylanilino)((3-benzylphenyl)imino)methanesulfonic acid",NA,"C1=CC=C(C=C1)CC2=CC(=CC=C2)NC(=NC3=CC=CC(=C3)CC4=CC=CC=C4)S(=O)(=O)O","DVFLSZFAZYLCFW-UHFFFAOYSA-N",388370,NA,"PDBC06809","683264","Present",NA,NA
+"6810","(Z)-1,1,1-Trichloro-4-(2-hydroxyanilino)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1,1,1-Trichloro-4-(2-hydroxyanilino)but-3-en-2-one",NA,"C1=CC=C(C(=C1)NC=CC(=O)C(Cl)(Cl)Cl)O","CDYPCWQTHVEJGN-WAYWQWQTSA-N",5471821,NA,"PDBC06810","714076","Present",NA,NA
+"6811","(Z)-1,1,1-Trichloro-4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1,1,1-Trichloro-4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]but-3-en-2-one",NA,"CS(=NC=CC(=O)C(Cl)(Cl)Cl)(=O)C","NJCWKIZOJVIUIG-ARJAWSKDSA-N",5472005,NA,"PDBC06811","715844","Present",NA,NA
+"6812","(Z)-1,1,1-Trifluoro-4-(2-hydroxyanilino)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1,1,1-Trifluoro-4-(2-hydroxyanilino)but-3-en-2-one",NA,"C1=CC=C(C(=C1)NC=CC(=O)C(F)(F)F)O","AGSOVNGSHJTQPN-WAYWQWQTSA-N",5472003,NA,"PDBC06812","715842","Present",NA,NA
+"6813","(Z)-1,1,2,4,4-Pentachloro-1,4-dinitro-but-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-butene, 1,1,2,4,4-pentachloro-1,4-dinitro-",NA,"C(=C(C([N+](=O)[O-])(Cl)Cl)Cl)C([N+](=O)[O-])(Cl)Cl","LETWWAASNMTWLI-UPHRSURJSA-N",5755978,NA,"PDBC06813","665079","Present",NA,NA
+"6814","(Z)-1,2-Bis(3,4-dimethoxyphenyl)-3-imidazol-1-yl-prop-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1,2-Bis(3,4-dimethoxyphenyl)-3-imidazol-1-yl-prop-2-en-1-ol",NA,"COC1=C(C=C(C=C1)C(C(=CN2C=CN=C2)C3=CC(=C(C=C3)OC)OC)O)OC","COBCHCDRJKNNAR-LGMDPLHJSA-N",3004381,NA,"PDBC06814","649317","Present",NA,NA
+"6815","(Z)-1,2-Diphenylethenesulfonic acid;4-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC109926",NA,"CC1=CC=C(C=C1)N.C1=CC=C(C=C1)C=C(C2=CC=CC=C2)S(=O)(=O)O","HVOIJEDWGMIDLA-IRIIKGHASA-N",5351957,NA,"PDBC06815","109926","Present",NA,NA
+"6816","(Z)-1,3-Diphenyl-3-triphenylplumbyloxy-prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1,3-Diphenyl-3-triphenylplumbyloxy-prop-2-en-1-one",NA,NA,NA,NA,NA,"PDBC06816","644908","Present",NA,NA
+"6817","(Z)-1,6,7-Tribromo-3-(bromomethyl)-7-methyloct-2-ene;(E)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1,6,7-Tribromo-3-(bromomethyl)-7-methyloct-2-ene;(E)-1,6,7-tribromo-3-(bromomethyl)-7-methyloct-2-ene",NA,"CC(C)(C(CCC(=CCBr)CBr)Br)Br.CC(C)(C(CCC(=CCBr)CBr)Br)Br","YGZHIWZFFTYLOA-OJEMXQENSA-N",5467633,NA,"PDBC06817","657137","Present",NA,NA
+"6818","(Z)-1-(1,5-Diphenylpyrazol-3-yl)-3-hydroxy-3-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(1,5-Diphenylpyrazol-3-yl)-3-hydroxy-3-phenylprop-2-en-1-one",NA,"C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C(=O)C=C(C4=CC=CC=C4)O","PRUITDLCXVDDQS-QJOMJCCJSA-N",5472604,NA,"PDBC06818","720421","Present",NA,NA
+"6819","(Z)-1-(1H-Indol-3-yl)-3-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(1H-indol-3-yl)-3-(2-methoxy-5-(3,4,5-trimethoxyst...",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC=CC(=O)C3=CNC4=CC=CC=C43","WLZCGHMCKNWJMJ-KWUOUXIESA-N",92131109,NA,"PDBC06819","777174","Present",NA,NA
+"6820","(Z)-1-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(2-hydroxybenzylidene)-2-phenyl-1H-imidazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(2-hydroxyb...",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3O)C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)Cl","MVMVBCZWVZVEKB-PDGQHHTCSA-N",45028018,NA,"PDBC06820","740618","Present",NA,NA
+"6821","(Z)-1-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(3,4-dimethoxybenzylidene)-2-phenyl-1H-imidazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(3,4-dimeth...",NA,"COC1=C(C=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl)OC","KGRIUPJPWNBBPQ-UNOMPAQXSA-N",45028021,NA,"PDBC06821","740621","Present",NA,NA
+"6822","(Z)-1-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(4-(dimethylamino)benzylidene)-2-phenyl-1H-imidazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(4-(dimethy...",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl","HFKAOQQFBIPNKT-STZFKDTASA-N",45028023,NA,"PDBC06822","740623","Present",NA,NA
+"6823","(Z)-1-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(4-chlorobenzylidene)-2-phenyl-1H-imidazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(2-chloro-5-(trifluoromethyl)phenyl)-4-(4-chlorobe...",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4=C(C=CC(=C4)C(F)(F)F)Cl","HMLHCVDONBCLSZ-UNOMPAQXSA-N",45028022,NA,"PDBC06823","740622","Present",NA,NA
+"6824","(Z)-1-(2-Hydroxyphenyl)ethanone O-acetyl oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-62810",NA,"CC(=NOC(=O)C)C1=CC=CC=C1O","IDGZAIMNRXPJNW-XFFZJAGNSA-N",135510099,NA,"PDBC06824","631971","Present",NA,NA
+"6825","(Z)-1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(3,4-Dihydro-1H-isoquinolin-2-yl)-3-phenylprop-2-en-1-one",NA,"C1CN(CC2=CC=CC=C21)C(=O)C=CC3=CC=CC=C3","LDIIACNKONNAKC-KHPPLWFESA-N",1712141,NA,"PDBC06825","87837","Present",NA,NA
+"6826","(Z)-1-(4-Bromophenyl)-3-(4-chloroanilino)-2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]-3-oxoprop-1-en-1-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(4-Bromophenyl)-3-(4-chloroanilino)-2-[3-(4-chlorophenyl)pyridazin-1-ium-1-yl]-3-oxoprop-1-en-1-olate",NA,"C1=CC(=N[N+](=C1)C(=C(C2=CC=C(C=C2)Br)[O-])C(=O)NC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","XDULJQZOZIVQAJ-UHFFFAOYSA-N",54714473,NA,"PDBC06826","702416","Present",NA,NA
+"6827","(Z)-1-(4-Chlorophenyl)-2-[(4-fluorophenyl)methylsulfanyl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(4-chlorophenyl)-2-((4-fluorobenzyl)thio)-3- (4-ni...",NA,"C1=CC(=CC=C1CSC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl)F","HEVMZSUFSUNQIZ-BKUYFWCQSA-N",155810296,NA,"PDBC06827","791686","Present",NA,NA
+"6828","(Z)-1-(4-Fluorophenyl)-2-[(4-methylphenyl)methylsulfanyl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(4-fluorophenyl)-2-((4-methylbenzyl)thio)-3- (4-ni...",NA,"CC1=CC=C(C=C1)CSC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F","KRNVGLUECKWEEE-HMAPJEAMSA-N",155811884,NA,"PDBC06828","791682","Present",NA,NA
+"6829","(Z)-1-(4-Fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(4-Fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]-6-nitroquinoxalin-2-yl]ethenol",NA,"C1=CC(=CC=C1C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C(C4=CC=C(C=C4)F)O)O)F","ZKGPMPRNJRVJRH-KBZHBASMSA-N",135426687,NA,"PDBC06829","707072","Present",NA,NA
+"6830","(Z)-1-(4-Fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(4-Fluorophenyl)-2-[3-[(Z)-2-(4-fluorophenyl)-2-hydroxyethenyl]quinoxalin-2-yl]ethenol",NA,"C1=CC=C2C(=C1)N=C(C(=N2)C=C(C3=CC=C(C=C3)F)O)C=C(C4=CC=C(C=C4)F)O","WJGLKSWIHJGBGP-GACBQCINSA-N",135426686,NA,"PDBC06830","707071","Present",NA,NA
+"6831","(Z)-1-Benzylsulfanyl-1-[[(Z)-C-benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-Benzylsulfanyl-1-[[(Z)-C-benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanyl-N-[(Z)-furan-2-ylmethylideneamino]methanimine",NA,NA,NA,NA,NA,"PDBC06831","630459","Present",NA,NA
+"6832","(Z)-1-Iodo-2-phenyl-1-penten-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-iodo-2-phenyl-1-penten-3-one",NA,"CCC(=O)C(=CI)C1=CC=CC=C1","FWKMZCXFDQPRAC-NTMALXAHSA-N",5468684,NA,"PDBC06832","674455","Present",NA,NA
+"6833","(Z)-2-(1,3-Benzodioxol-5-yl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(1,3-Benzodioxol-5-yl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide",NA,"CC(C)(C)NC(=O)C(=CSC1=CC=CC=C1)C2=CC3=C(C=C2)OCO3","RITVHMFIZGMKDO-VBKFSLOCSA-N",5470810,NA,"PDBC06833","705329","Present",NA,NA
+"6834","(Z)-2-(1,3-Benzoxazol-2-yl)-4-chloro-3-hydroxybut-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(1,3-Benzoxazol-2-yl)-4-chloro-3-hydroxybut-2-enenitrile",NA,"C1=CC=C2C(=C1)N=C(O2)C(=C(CCl)O)C#N","QZLSLUQVAGYYGF-CLFYSBASSA-N",135426811,NA,"PDBC06834","719378","Present",NA,NA
+"6835","(Z)-2-(3,4-Dimethoxycyclohexa-1,3-dien-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(3,4-Dimethoxycyclohexa-1,3-dien-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile",NA,"COC1=C(C=C(CC1)C(=CC2=CC(=C(C=C2)OC)OC)C#N)OC","NNPUWTJYWYPOLD-OQLLNIDSSA-N",5388792,NA,"PDBC06835","638620","Present",NA,NA
+"6836","(Z)-2-(4-Bromophenyl)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(4-Bromophenyl)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enenitrile",NA,"CN(CCC#N)C1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)Br","UXQKDCXLIGYTNZ-GHRIWEEISA-N",5908264,NA,"PDBC06836","202062","Present",NA,NA
+"6837","(Z)-2-Amino-2-(1-hydroxy-5,5-dimethoxy-2,2-dimethyl-imidazol-4-yl)ethenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-Amino-2-(1-hydroxy-5,5-dimethoxy-2,2-dimethyl-imidazol-4-yl)ethenol",NA,"CC1(NC(=C(C=O)N)C(N1O)(OC)OC)C","LUMKIYSEGJSRRH-VOTSOKGWSA-N",5494357,NA,"PDBC06837","686486","Present",NA,NA
+"6838","(Z)-2-Amino-3-[[7-[[(Z)-2-amino-1,2-dicyanoethenyl]iminomethyl]-3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7-tetrahydroacridin-2-yl]methylideneamino]but-2-enedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-Amino-3-[[7-[[(Z)-2-amino-1,2-dicyanoethenyl]iminomethyl]-3,3,6,6-tetramethyl-1,8-dioxo-2,4,5,7-tetrahydroacridin-2-yl]methylideneamino]but-2-enedinitrile",NA,"CC1(CC2=C(C=C3C(=N2)CC(C(C3=O)C=NC(=C(C#N)N)C#N)(C)C)C(=O)C1C=NC(=C(C#N)N)C#N)C","OTWVFAISVKNJJE-CEDUTOFESA-N",5470527,NA,"PDBC06838","702649","Present",NA,NA
+"6839","(Z)-2-Azido-3-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-N-(2-phenoxyacetyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-Azido-3-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-N-(2-phenoxyacetyl)prop-2-enamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)NC(=O)COC2=CC=CC=C2)N=[N+]=[N-]","ZUYNSTRPJWALNQ-JWGURIENSA-N",5845130,NA,"PDBC06839","643597","Present",NA,NA
+"6840","(Z)-2-Benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-Benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enenitrile",NA,"C1CN(C(=S)N1C=C(C#N)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CO3","OEMRYFFWEDEBOW-OWBHPGMISA-N",24203789,NA,"PDBC06840","729521","Present",NA,NA
+"6841","(Z)-2-Benzyl-3-phenylpropenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC26079",NA,"C1=CC=C(C=C1)CC(=CC2=CC=CC=C2)C(=O)O","KNEFRHCUYCDKRK-PTNGSMBKSA-N",5355110,NA,"PDBC06841","26079","Present",NA,NA
+"6842","(Z)-2-Benzylsulfanyl-1-(4-chlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z,E)-2-(benzylthio)-1-(4-chlorophenyl)-3- (4-nitropheny...",NA,"C1=CC=C(C=C1)CSC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl","DZMYQQOTLULVCX-STZFKDTASA-N",155817166,NA,"PDBC06842","791685","Present",NA,NA
+"6843","(Z)-2-Benzylsulfinyl-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(benzylsulfinyl)-3-(4-nitrophenyl)-1-(p-tolyl)prop...",NA,"CC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])S(=O)CC3=CC=CC=C3","NVBCOFOMLSYGBV-JCMHNJIXSA-N",155813733,NA,"PDBC06843","791684","Present",NA,NA
+"6844","(Z)-2-Bromo-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-Bromo-4-[(2-methylpropan-2-yl)oxy]but-2-en-1-ol",NA,"CC(C)(C)OCC=C(CO)Br","ZYXJLOFSEZTMIS-DAXSKMNVSA-N",5470161,NA,"PDBC06844","698208","Present",NA,NA
+"6845","(Z)-2-Chloro-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]-3-phenyl-prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-Chloro-1-[2-(2-methyl-1H-indol-3-yl)indolin-1-yl]-3-phenyl-prop-2-en-1-one",NA,"CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)C(=CC5=CC=CC=C5)Cl","NFQJXJCBMWOQDW-QNGOZBTKSA-N",5388493,NA,"PDBC06845","636506","Present",NA,NA
+"6846","(Z)-2-Cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-Cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide",NA,"C1CN(C(=S)N1C=C(C#N)C(=O)N)C(=O)C2=CC=CO2","RBYJODBJASYLSV-FPLPWBNLSA-N",24203793,NA,"PDBC06846","729525","Present",NA,NA
+"6847","(Z)-2-Cyano-3-phenylsulfanylprop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617605",NA,"C1=CC=C(C=C1)SC=C(C#N)C(=O)O","YVQBZIVOOVECGT-FPLPWBNLSA-N",5386767,NA,"PDBC06847","617605","Present",NA,NA
+"6848","(Z)-2-Fluorooctadec-9-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684582",NA,"CCCCCCCCC=CCCCCCCC(C(=O)O)F","SRASYCWJVNDWSC-KTKRTIGZSA-N",5469234,NA,"PDBC06848","684582","Present",NA,NA
+"6849","(Z)-2-Methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-Methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid",NA,"CC1=C(C(=O)NC(=O)N1)C=C(C)C(=O)O","DSNYZSCAYNDLKB-ARJAWSKDSA-N",5383681,NA,"PDBC06849","181491","Present",NA,NA
+"6850","(Z)-2-[(4-Chlorophenyl)methylsulfanyl]-1-(4-fluorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z,E)-2-((4-chlorobenzyl)thio)-1-(4-fluorophenyl)-3- (4-...",NA,"C1=CC(=CC=C1CSC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)F)Cl","UFZCYLWLYWLGSX-BKUYFWCQSA-N",155810169,NA,"PDBC06850","791687","Present",NA,NA
+"6851","(Z)-2-[(4-Chlorophenyl)methylsulfanyl]-1-(4-methylphenyl)-3-(4-nitrophenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-((4-chlorobenzyl)thio)-3-(4-nitrophenyl)- 1-(p-tol...",NA,"CC1=CC=C(C=C1)C(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])SCC3=CC=C(C=C3)Cl","USQHBPQIPLWXOH-HMAPJEAMSA-N",155812611,NA,"PDBC06851","798978","Present",NA,NA
+"6852","(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(3-nitrophenyl)prop-2-enenitrile",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC(=CC=C3)[N+](=O)[O-])C#N","YOXQKKXNIRDKNX-QPEQYQDCSA-N",54611463,NA,"PDBC06852","704322","Present",NA,NA
+"6853","(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(4-oxo-2,3-dihydrochromen-3-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(4-oxo-2,3-dihydrochromen-3-yl)prop-2-enenitrile",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3COC4=CC=CC=C4C3=O)C#N","JEFPBRNTBPFIGS-JYRVWZFOSA-N",5471681,NA,"PDBC06853","713039","Present",NA,NA
+"6854","(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enenitrile",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=C(S3)[N+](=O)[O-])C#N","RWVZBXAFTQJQIA-POHAHGRESA-N",54611464,NA,"PDBC06854","704317","Present",NA,NA
+"6855","(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-3-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(5-nitrothiophen-3-yl)prop-2-enenitrile",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CSC(=C3)[N+](=O)[O-])C#N","DRJKFXXKGQFBBV-WCIBSUBMSA-N",5471684,NA,"PDBC06855","713053","Present",NA,NA
+"6856","(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(=CC3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C#N","QBNOYWRFYWQWHX-GDNBJRDFSA-N",54611462,NA,"PDBC06856","704318","Present",NA,NA
+"6857","(Z)-2-[[[1-(4-Chlorophenyl)-2,3-dihydro-2-[1,2-bis(methoxycarbonyl)ethenyl]-2-methyl-4-cyano-5-amino-1H-pyrrol]-3-ylidene]methyl]-2-butenedioic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (Z)-2-[(Z)-[5-amino-1-(4-chlorophenyl)-4-cyano-2-[(E)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]-2-methylpyrrol-3-ylidene]methyl]but-2-enedioate",NA,"CC1(C(=CC(=CC(=O)OC)C(=O)OC)C(=C(N1C2=CC=C(C=C2)Cl)N)C#N)C(=CC(=O)OC)C(=O)OC","LBTCIJAMDZQOQH-NOXSAHPSSA-N",5468307,NA,"PDBC06857","668349","Present",NA,NA
+"6858","(Z)-3,3',4,4',5-Pentamethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B817373K389 from Combetum caffrum",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC","KMCRDRIVRPRGHU-SREVYHEPSA-N",5386627,NA,"PDBC06858","615258","Present",NA,NA
+"6859","(Z)-3,4,5-Trimethoxy-4'-ethylstilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3,4,5-Trimethoxy-4'-ethylstilbene",NA,"CCC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","ATPLLJHVRJWGIN-KHPPLWFESA-N",5466706,NA,"PDBC06859","641484","Present",NA,NA
+"6860","(Z)-3-(2-Methoxyphenyl)-1-(1,3-oxazolidin-4-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(2-Methoxyphenyl)-1-(1,3-oxazolidin-4-yl)prop-2-en-1-one",NA,"COC1=CC=CC=C1C=CC(=O)C2COCN2","BAVZROYHOCSCFZ-SREVYHEPSA-N",54606380,NA,"PDBC06860","139727","Present",NA,NA
+"6861","(Z)-3-(2-Methoxyphenyl)-1-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(2-Methoxyphenyl)-1-phenylprop-2-en-1-one",NA,"COC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2","ZWTRSTWJBWJEFR-QXMHVHEDSA-N",25021886,NA,"PDBC06861","11865","Present",NA,NA
+"6862","(Z)-3-(2-Methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(2-Methoxyphenyl)-2-(4-methoxyphenyl)prop-2-enenitrile",NA,"COC1=CC=C(C=C1)C(=CC2=CC=CC=C2OC)C#N","BFRIYUWXCFCEOD-RVDMUPIBSA-N",5793739,NA,"PDBC06862","130862","Present",NA,NA
+"6863","(Z)-3-(3,4-Dichlorophenyl)-1-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(3,4-Dichlorophenyl)-1-phenylprop-2-en-1-one",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl","QWYKPZUFPSREFT-CLFYSBASSA-N",54602235,NA,"PDBC06863","110939","Present",NA,NA
+"6864","(Z)-3-(3,5-Difluorophenyl)-2-(2-pyridyl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(3,5-Difluorophenyl)-2-(2-pyridyl)prop-2-enenitrile",NA,"C1=CC=NC(=C1)C(=CC2=CC(=CC(=C2)F)F)C#N","USVLQUDAUIUTEV-VZUCSPMQSA-N",5467798,NA,"PDBC06864","659322","Present",NA,NA
+"6865","(Z)-3-(3-Methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(3-Methoxy-4-phenylmethoxyphenyl)prop-2-enoic acid",NA,"COC1=C(C=CC(=C1)C=CC(=O)O)OCC2=CC=CC=C2","WSOBQOYHYGVEIR-NTMALXAHSA-N",5354670,NA,"PDBC06865","16729","Present",NA,NA
+"6866","(Z)-3-(3-Methoxyphenyl)-1-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 3-(3-methoxyphenyl)-1-phenyl- (9CI)",NA,"COC1=CC=CC(=C1)C=CC(=O)C2=CC=CC=C2","IWFHVAAFIDSBRL-KHPPLWFESA-N",21790694,NA,"PDBC06866","27999","Present",NA,NA
+"6867","(Z)-3-(Benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(Benzenesulfinyl)-N-(1,3-benzodioxol-5-ylmethyl)-N-tert-butylprop-2-enamide",NA,"CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C=CS(=O)C3=CC=CC=C3","ONNGZSNFZVBIIU-QXMHVHEDSA-N",5470811,NA,"PDBC06867","705330","Present",NA,NA
+"6868","(Z)-3-(Benzenesulfinyl)-N-tert-butyl-N-(furan-3-ylmethyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(Benzenesulfinyl)-N-tert-butyl-N-(furan-3-ylmethyl)prop-2-enamide",NA,"CC(C)(C)N(CC1=COC=C1)C(=O)C=CS(=O)C2=CC=CC=C2","MKDWGGNLDHEQMB-BENRWUELSA-N",5470818,NA,"PDBC06868","705337","Present",NA,NA
+"6869","(Z)-3-(Benzylcarbamothioylamino)-2-cyanoprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658506",NA,"C1=CC=C(C=C1)CNC(=S)NC=C(C#N)C(=O)N","YLJKNBABBHWKLL-NTMALXAHSA-N",54612522,NA,"PDBC06869","658506","Present",NA,NA
+"6870","(Z)-3-(Carbamothioylamino)-2-cyanoprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658309",NA,"C(=C(C#N)C(=O)N)NC(=S)N","NXHLKIPKPWUSOM-IHWYPQMZSA-N",5467720,NA,"PDBC06870","658309","Present",NA,NA
+"6871","(Z)-3-Bromo-3-iodo-1,2-diphenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-Bromo-3-iodo-1,2-diphenyl-2-propen-1-one",NA,"C1=CC=C(C=C1)C(=C(Br)I)C(=O)C2=CC=CC=C2","YRZKZKWBMCUQDP-SQFISAMPSA-N",5468218,NA,"PDBC06871","666301","Present",NA,NA
+"6872","(Z)-3-Bromo-3-iodo-2-phenylprop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-bromo-3-iodo-2-phenylpropenal",NA,"C1=CC=C(C=C1)C(=C(Br)I)C=O","ZKOMDKWMXRQBGK-CMDGGOBGSA-N",5467655,NA,"PDBC06872","657560","Present",NA,NA
+"6873","(Z)-3-Chloro-4-(3'-chloro-4'-methoxyphenyl)-5-(3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-chloro-4-(3'-chloro-4'-methoxyphenyl)-5-(3",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)OC2=CC3=CC(=C(C=C3)OC)Br)Cl)Cl","SHGQHQBIYQWCBS-PXNMLYILSA-N",5472910,NA,"PDBC06873","722462","Present",NA,NA
+"6874","(Z)-3-Cyano-2-hydroxy-3-(4-naphthalen-1-ylphenyl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-Cyano-2-hydroxy-3-(4-naphthalen-1-ylphenyl)prop-2-enoic acid",NA,"C1=CC=C2C(=C1)C=CC=C2C3=CC=C(C=C3)C(=C(C(=O)O)O)C#N","ZYQBEJQFCQZLMX-VHEBQXMUSA-N",3246307,NA,"PDBC06874","85372","Present",NA,NA
+"6875","(Z)-3-Ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-Ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide",NA,"CCOC(=C(C(=N)N1CCOCC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O","DQAYNLGYDSRZBD-QJMCSQRZSA-N",135426613,NA,"PDBC06875","703904","Present",NA,NA
+"6876","(Z)-3-Ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)-N-propan-2-ylprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-Ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)-N-propan-2-ylprop-2-enamide",NA,"CCOC(=C(C(=N)N1CCOCC1)C(=O)NC(C)C)O","GDMPMVGFXJXEGM-IXIOTXNQSA-N",135426614,NA,"PDBC06876","703905","Present",NA,NA
+"6877","(Z)-3-Ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-Ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide",NA,"CCOC(=C(C(=N)N1CCCC1)C(=O)NC2=CC=CC(=C2)C(F)(F)F)O","OMBFGSUEFLHCOZ-QJMCSQRZSA-N",135426609,NA,"PDBC06877","703900","Present",NA,NA
+"6878","(Z)-3-Ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-Ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide",NA,"CCOC(=C(C(=N)N1CCOCC1)C(=O)NC2=CC=C(C=C2)F)O","QFVXJOUDDOIKGB-BURJPGGPSA-N",135426611,NA,"PDBC06878","703902","Present",NA,NA
+"6879","(Z)-3-Ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-Ethoxy-N-(4-fluorophenyl)-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide",NA,"CCOC(=C(C(=N)N1CCCC1)C(=O)NC2=CC=C(C=C2)F)O","DEZPICVCNXNYIC-BURJPGGPSA-N",135426608,NA,"PDBC06879","703899","Present",NA,NA
+"6880","(Z)-3-Iodo-1,2-diphenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-iodo-1,2-diphenyl-2-propen-1-one",NA,"C1=CC=C(C=C1)C(=CI)C(=O)C2=CC=CC=C2","HZYVHOBRARIHQT-KAMYIIQDSA-N",5468683,NA,"PDBC06880","674454","Present",NA,NA
+"6881","(Z)-3-Iodo-6-(phenylmethoxymethoxy)hex-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-Iodo-6-(phenylmethoxymethoxy)hex-2-en-1-ol",NA,"C1=CC=C(C=C1)COCOCCCC(=CCO)I","RRUFOHOOQJVMJO-ZSOIEALJSA-N",5387054,NA,"PDBC06881","619990","Present",NA,NA
+"6882","(Z)-3-Tricyclo[4.4.0.02,7]decanylideneurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624377",NA,"C1CC2C3CCC(=NC(=O)N)C2C3C1","GVRCKZPGAMWKPM-LCYFTJDESA-N",5913362,NA,"PDBC06882","624377","Present",NA,NA
+"6883","(Z)-3-[(2R,3S,4S,5S)-3,4-Dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-[(2R,3S,4S,5S)-3,4-Dihydroxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enal",NA,"CC1C(C(C(O1)(C)C=C(C)C=O)O)(C)O","YDZGIHHZMNNFMM-URCWOFHRSA-N",5471937,NA,"PDBC06883","715496","Present",NA,NA
+"6884","(Z)-3-[(3,4-Dimethyl-1,2-oxazol-5-yl)amino]-N-phenylbut-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-[(3,4-Dimethyl-1,2-oxazol-5-yl)amino]-N-phenylbut-2-enamide",NA,"CC1=C(ON=C1C)NC(=CC(=O)NC2=CC=CC=C2)C","JFMUSURVUMQECV-KTKRTIGZSA-N",5386681,NA,"PDBC06884","615611","Present",NA,NA
+"6885","(Z)-3-[(9R)-3,5,5,9-Tetramethyl-2-oxatricyclo[4.3.0.01,3]nonan-4-yl]prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-[(9R)-3,5,5,9-Tetramethyl-2-oxatricyclo[4.3.0.01,3]nonan-4-yl]prop-2-enal",NA,"CC1CCC2C13C(O3)(C(C2(C)C)C=CC=O)C","FOKJNGKJKPHZPJ-QYMTWWATSA-N",5470376,NA,"PDBC06885","700511","Present",NA,NA
+"6886","(Z)-3-[2,3-Dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(1H-indol-3-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylamin...",NA,"COC1=CC(=CC(=C1OC)NC=CC(=O)C2=CNC3=CC=CC=C32)C=CC4=CC(=C(C(=C4)OC)OC)OC","HQCVZJHJEMWQSA-FQEMRORKSA-N",118500926,NA,"PDBC06886","777183","Present",NA,NA
+"6887","(Z)-3-[2,3-Dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylami...",NA,"COC1=CC(=CC(=C1OC)NC=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC","QWBGUVNTTVHMIG-BASFJDSNSA-N",118495350,NA,"PDBC06887","777180","Present",NA,NA
+"6888","(Z)-3-[2,3-Dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]anilino]-1-[4-(trifluoromethoxy)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenylami...",NA,"COC1=CC(=CC(=C1OC)NC=CC(=O)C2=CC=C(C=C2)OC(F)(F)F)C=CC3=CC(=C(C(=C3)OC)OC)OC","KIJWMKUMQQQTHR-ASZCUJMBSA-N",118495414,NA,"PDBC06888","773189","Present",NA,NA
+"6889","(Z)-3-[2-Oxo-2-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethylamino]ethyl]hex-4-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-[2-Oxo-2-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethylamino]ethyl]hex-4-enoic acid",NA,"CC=CC(CC(=O)NCCC1CN(C2=CC=CC=C12)S(=O)(=O)C(F)(F)F)CC(=O)O","YPSYYNPWNICDRZ-DJWKRKHSSA-N",5470064,NA,"PDBC06889","697240","Present",NA,NA
+"6890","(Z)-3-[4-[2-Cyanoethyl(methyl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-[4-[2-Cyanoethyl(methyl)amino]phenyl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile",NA,"CN(CCC#N)C1=CC=C(C=C1)C=C(C#N)C2=CC(=CC=C2)C(F)(F)F","WERHYBQYOCWWJJ-SFQUDFHCSA-N",5919582,NA,"PDBC06890","338519","Present",NA,NA
+"6891","(Z)-3-[4-[Bis(2-cyanoethyl)amino]-2-methyl-phenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl azide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]prop-2-enoyl azide",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)N=[N+]=[N-])NC(=O)C=CC2=CC=CC=C2","RSYFJEWJQQXHQH-MUXFZUAMSA-N",6477346,NA,"PDBC06891","645676","Present",NA,NA
+"6892","(Z)-3-[Diiodo-[(Z)-3-oxo-1,3-diphenyl-prop-1-enoxy]stannyl]oxy-1,3-diphenyl-prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-[Diiodo-[(Z)-3-oxo-1,3-diphenyl-prop-1-enoxy]stannyl]oxy-1,3-diphenyl-prop-2-en-1-one",NA,NA,NA,NA,NA,"PDBC06892","644920","Present",NA,NA
+"6893","(Z)-3-[[(4Z)-4-(5,5-Dimethyl-4-methyliminofuran-2-yl)imino-5,5-dimethylfuran-2-yl]amino]-4-hydroxy-4-methylpent-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-[[(4Z)-4-(5,5-Dimethyl-4-methyliminofuran-2-yl)imino-5,5-dimethylfuran-2-yl]amino]-4-hydroxy-4-methylpent-2-enenitrile",NA,"CC1(C(=NC2=CC(=NC)C(O2)(C)C)C=C(O1)NC(=CC#N)C(C)(C)O)C","GKQOLCCUJNAKTN-CHIDIZNZSA-N",9571921,NA,"PDBC06893","670995","Present",NA,NA
+"6894","(Z)-3-[[(Z)-3-Oxo-1,3-diphenyl-prop-1-enoxy]-diphenyl-stannyl]oxy-1,3-diphenyl-prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-[[(Z)-3-Oxo-1,3-diphenyl-prop-1-enoxy]-diphenyl-stannyl]oxy-1,3-diphenyl-prop-2-en-1-one",NA,NA,NA,NA,NA,"PDBC06894","644911","Present",NA,NA
+"6895","(Z)-3-[[9-(Trifluoromethylsulfonyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methyl]hex-4-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-[[9-(Trifluoromethylsulfonyl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]methyl]hex-4-enoic acid",NA,"CC=CC(CC(=O)O)CN1CCC2=C(C1)C(C3=CC=CC=C23)S(=O)(=O)C(F)(F)F","NYLYHAJBSAZDTF-DJWKRKHSSA-N",5470065,NA,"PDBC06895","697243","Present",NA,NA
+"6896","(Z)-4-(2-Aminoanilino)-1,1,1-trichloro-4-phenylbut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-(2-Aminoanilino)-1,1,1-trichloro-4-phenylbut-3-en-2-one",NA,"C1=CC=C(C=C1)C(=CC(=O)C(Cl)(Cl)Cl)NC2=CC=CC=C2N","PMPJVYCJHSIPRD-UVTDQMKNSA-N",5472007,NA,"PDBC06896","715846","Present",NA,NA
+"6897","(Z)-4-(2-Aminoanilino)-1,1,1-trichlorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-(2-Aminoanilino)-1,1,1-trichlorobut-3-en-2-one",NA,"C1=CC=C(C(=C1)N)NC=CC(=O)C(Cl)(Cl)Cl","UTHZONLZLHHUPR-WAYWQWQTSA-N",5471820,NA,"PDBC06897","714075","Present",NA,NA
+"6898","(Z)-4-(3,4-Dimethylphenyl)-N-[(Z)-[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-2,3-dihydronaphthalen-1-ylidene]amino]-4,6,7-trimethyl-2,3-dihydronaphthalen-1-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[4-(3,4-dimethylphenyl)-4,6,7-trimethyl-3,4-dihydronaphthalen-1(2H)-ylidene]hydrazine",NA,"CC1=C(C=C(C=C1)C2(CCC(=NN=C3CCC(C4=C3C=C(C(=C4)C)C)(C)C5=CC(=C(C=C5)C)C)C6=C2C=C(C(=C6)C)C)C)C","MBXNBYCQXFRCLX-XRXZHQAKSA-N",54609936,NA,"PDBC06898","111326","Present",NA,NA
+"6899","(Z)-4-(3-Chlorophenyl)-3-(3-methylcyclohexanecarbonyl)-2-oxobut-3-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-(3-Chlorophenyl)-3-(3-methylcyclohexanecarbonyl)-2-oxobut-3-enoic acid",NA,"CC1CCCC(C1)C(=O)C(=CC2=CC(=CC=C2)Cl)C(=O)C(=O)O","WXZJANUZVNOTHQ-GDNBJRDFSA-N",5351370,NA,"PDBC06899","636084","Present",NA,NA
+"6900","(Z)-4-(4-Bromophenyl)-1,1,1-trichloro-4-(2-hydroxyanilino)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-(4-Bromophenyl)-1,1,1-trichloro-4-(2-hydroxyanilino)but-3-en-2-one",NA,"C1=CC=C(C(=C1)NC(=CC(=O)C(Cl)(Cl)Cl)C2=CC=C(C=C2)Br)O","SCGZNAYQVMRDPU-LCYFTJDESA-N",5472004,NA,"PDBC06900","715843","Present",NA,NA
+"6901","(Z)-4-(4-Chlorophenyl)-1-(1,3-dithiolan-2-ylidene)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-(4-Chlorophenyl)-1-(1,3-dithiolan-2-ylidene)but-3-en-2-one",NA,"C1CSC(=CC(=O)C=CC2=CC=C(C=C2)Cl)S1","KRLVHPDIDCYCJD-UTCJRWHESA-N",5351405,NA,"PDBC06901","648320","Present",NA,NA
+"6902","(Z)-4-(4-Chlorophenyl)-2-[2-(2,4-dinitrophenyl)hydrazinyl]-4-oxobut-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-(4-Chlorophenyl)-2-[2-(2,4-dinitrophenyl)hydrazinyl]-4-oxobut-2-enoic acid",NA,"C1=CC(=CC=C1C(=O)C=C(C(=O)O)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl","UDBWHHQFJDZCCA-JYRVWZFOSA-N",5472618,NA,"PDBC06902","720449","Present",NA,NA
+"6903","(Z)-4-(Tert-Butyldimethylsilyloxy)-3,4',5-trimethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z) 4-.tert.Butyldimethylsilyloxy-3,4',5-trimethoxystilbene",NA,"CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)C=CC2=CC=C(C=C2)OC)OC","QYELFYNGCBSTLN-KTKRTIGZSA-N",5388771,NA,"PDBC06903","638489","Present",NA,NA
+"6904","(Z)-4-Bromo-4-iodo-3-phenylbut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-bromo-4-iodo-3-phenyl-3-buten-2-one",NA,"CC(=O)C(=C(Br)I)C1=CC=CC=C1","HFETZVUWYDOJFD-MDZDMXLPSA-N",5467656,NA,"PDBC06904","657561","Present",NA,NA
+"6905","(Z)-4-Hexylsulfanyl-N-methoxybutan-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685028",NA,"CCCCCCSCCC(=NOC)C","CXMWHEIBSHXAQB-QXMHVHEDSA-N",5466314,NA,"PDBC06905","685028","Present",NA,NA
+"6906","(Z)-4-Iodo-3-phenyl-3-buten-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-iodo-3-phenyl-3-buten-2-one",NA,"CC(=O)C(=CI)C1=CC=CC=C1","YGFIPPXQZXTJHB-JXMROGBWSA-N",5468685,NA,"PDBC06906","674456","Present",NA,NA
+"6907","(Z)-4-Oxo-4-(pyridin-2-ylamino)but-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenoic acid, 4-oxo-4-(2-pyridinylamino)-, (Z)-",NA,"C1=CC=NC(=C1)NC(=O)C=CC(=O)O","GQYYIMWMAHTMMR-PLNGDYQASA-N",1551264,NA,"PDBC06907","112778","Present",NA,NA
+"6908","(Z)-4-Oxo-4-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]amino]but-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-Oxo-4-[[2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]amino]but-2-enoic acid",NA,"CC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1NC(=O)C=CC(=O)O)C)C","GAEQOTKVXDYOMY-ZCXUNETKSA-N",60148174,NA,"PDBC06908","753867","Present",NA,NA
+"6909","(Z)-4-Trimethylsilylbut-3-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-Trimethylsilylbut-3-en-1-ol",NA,"C[Si](C)(C)C=CCCO","UNYWZJAUMOWBRU-ALCCZGGFSA-N",5386726,NA,"PDBC06909","617364","Present",NA,NA
+"6910","(Z)-4-Triphenylstannyloxypent-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-Triphenylstannyloxypent-3-en-2-one",NA,NA,NA,NA,NA,"PDBC06910","644913","Present",NA,NA
+"6911","(Z)-4-[(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-2-methyl-4-oxo-but-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-[(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-2-methyl-4-oxo-but-2-enoic acid",NA,"CC(=CC(=O)NN1C(=NNC1=O)CC2=CC=CC=C2)C(=O)O","KCKVGQAUIGERGO-CLFYSBASSA-N",5469109,NA,"PDBC06911","683294","Present",NA,NA
+"6912","(Z)-4-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-4-oxo-but-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-4-oxo-but-2-enoic acid",NA,"CCC1=NNC(=O)N1NC(=O)C=CC(=O)O","IXPTXGARLGYSIP-ARJAWSKDSA-N",5469085,NA,"PDBC06912","682726","Present",NA,NA
+"6913","(Z)-4-[(7-Fluoro-9-oxofluoren-2-yl)amino]-4-oxobut-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-[(7-Fluoro-9-oxofluoren-2-yl)amino]-4-oxobut-2-enoic acid",NA,"C1=CC2=C(C=C1NC(=O)C=CC(=O)O)C(=O)C3=C2C=CC(=C3)F","RDYCKZHXTUXBGI-WAYWQWQTSA-N",5351835,NA,"PDBC06913","57443","Present",NA,NA
+"6914","(Z)-4-[Tert-butyl(dimethyl)silyl]oxy-N-(2-iodophenyl)-N,2-dimethylbut-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-[Tert-butyl(dimethyl)silyl]oxy-N-(2-iodophenyl)-N,2-dimethylbut-2-enamide",NA,"CC(=CCO[Si](C)(C)C(C)(C)C)C(=O)N(C)C1=CC=CC=C1I","QLEPLPADLDBFDG-OWBHPGMISA-N",5471929,NA,"PDBC06914","715447","Present",NA,NA
+"6915","(Z)-5,5-dibutyl-3-((3,5-dimethyl-4-pentyl-2H-pyrrol-2-yl...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5,5-dibutyl-3-((3,5-dimethyl-4-pentyl-2H-pyrrol-2-yl...",NA,NA,NA,NA,NA,"PDBC06915","782505","Present",NA,NA
+"6916","(Z)-5-((E)-3-(4-(Diethylamino)phenyl)allylidene)imidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-((E)-3-(4-(diethylamino)phenyl)allylidene)imidazol...",NA,"CCN(CC)C1=CC=C(C=C1)C=CC=C2C(=O)NC(=O)N2","BBQBCXGVMSNGLX-JEZZUBLBSA-N",53495015,NA,"PDBC06916","751109","Present",NA,NA
+"6917","(Z)-5-Difluoroboranyloxy-2,2,6,6-tetramethyl-hept-4-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Difluoroboranyloxy-2,2,6,6-tetramethyl-hept-4-en-3-one",NA,"B(OC(=CC(=O)C(C)(C)C)C(C)(C)C)(F)F","RDRZXKQQYJHJEF-CLFYSBASSA-N",6300245,NA,"PDBC06917","684728","Present",NA,NA
+"6918","(Z)-5-[Benzyl(methyl)amino]-2-(4-chlorophenyl)-1-phenylpent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-[Benzyl(methyl)amino]-2-(4-chlorophenyl)-1-phenylpent-1-en-3-one",NA,"CN(CCC(=O)C(=CC1=CC=CC=C1)C2=CC=C(C=C2)Cl)CC3=CC=CC=C3","LONJEUANXZHGKA-MOHJPFBDSA-N",5897951,NA,"PDBC06918","15813","Present",NA,NA
+"6919","(Z)-6-(2-(Pyridin-2-ylmethylene)hydrazinyl)-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine",NA,"C1=CC=NC(=C1)C=NNC2=NC=NC3=C2NC=N3","QAWUBZMNRHJLIP-ZWSORDCHSA-N",60147744,NA,"PDBC06919","752329","Present",NA,NA
+"6920","(Z)-6-(2-(Pyridin-2-ylmethylene)hydrazinyl)-9H-purine-9-beta-D-riboside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-(2-(pyridin-2-ylmethylene)hydrazinyl)-9H-purine-9-...",NA,"C1=CC=NC(=C1)C=NNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O","FMNUMZGKFWHCHT-SQFVCTCFSA-N",60147746,NA,"PDBC06920","752331","Present",NA,NA
+"6921","(Z)-9-(2-Cyanoethyl)zeatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-9-(2-Cyanoethyl)zeatin",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC#N)CO","DCVCQYZTZWDEHV-KMKOMSMNSA-N",5468591,NA,"PDBC06921","672187","Present",NA,NA
+"6922","(Z)-9-(Carboxyethyl)zeatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-9-(Carboxyethyl)zeatin",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)O)CO","VXKABCKGPOCQHU-MBXJOHMKSA-N",5468592,NA,"PDBC06922","672188","Present",NA,NA
+"6923","(Z)-Benzhydryl-methoxycarbonylimino-oxido-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Benzhydryl-methoxycarbonylimino-oxido-ammonium",NA,"COC(=O)N=[N+](C(C1=CC=CC=C1)C2=CC=CC=C2)[O-]","ANJFKZJCPRIKGF-MSUUIHNZSA-N",9556320,NA,"PDBC06923","692595","Present",NA,NA
+"6924","(Z)-Bis(4-chlorophenyl)methyl-methoxycarbonylimino-oxido-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Bis(4-chlorophenyl)methyl-methoxycarbonylimino-oxido-ammonium",NA,"COC(=O)N=[N+](C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)[O-]","ZYHCCMXZZJEYNG-HNENSFHCSA-N",9556321,NA,"PDBC06924","692596","Present",NA,NA
+"6925","(Z)-But-2-enedioic acid;6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-But-2-enedioic acid;6,7,8,9,10,11-hexahydrocycloocta[b]quinolin-12-amine",NA,"C1CCCC2=NC3=CC=CC=C3C(=C2CC1)N.C(=CC(=O)O)C(=O)O","FQPLPNGFKAQMEG-BTJKTKAUSA-N",5472186,NA,"PDBC06925","716848","Present",NA,NA
+"6926","(Z)-But-2-enedioic acid;N',N'-diethyl-N-(6-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-But-2-enedioic acid;N',N'-diethyl-N-(6-methyl-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-3-yl)propane-1,3-diamine",NA,"CCN(CC)CCCNC1=NC=C(C2=C1C3=C(N2)C=CN=C3)C.C(=CC(=O)O)C(=O)O","DMSRCQLWEYDRGW-BTJKTKAUSA-N",5387625,NA,"PDBC06926","625331","Present",NA,NA
+"6927","(Z)-Diethylamino-(2-hydroxypropoxyimino)-oxido-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((3,3-Diethyl-2-hydroxy-2.lambda.~5~-1-triazenyl)oxy)-2-propanol",NA,"CCN(CC)[N+](=NOCC(C)O)[O-]","SEJJLCNXRRIDAN-NTMALXAHSA-N",6271248,NA,"PDBC06927","634618","Present",NA,NA
+"6928","(Z)-Diethylamino-ethoxyimino-oxido-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethoxy-3,3-diethyl-2-hydroxy-2lambda~5~-1-triazene",NA,"CCN(CC)[N+](=NOCC)[O-]","SRJKODOVPLCCQN-CLFYSBASSA-N",9579053,NA,"PDBC06928","634615","Present",NA,NA
+"6929","(Z)-Diethylamino-methoxyimino-oxido-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Diethylamino-methoxyimino-oxido-ammonium",NA,"CCN(CC)[N+](=NOC)[O-]","RRVPABSEZXWXNU-VURMDHGXSA-N",9571268,NA,"PDBC06929","634616","Present",NA,NA
+"6930","(Z)-Diethylamino-oxido-propoxyimino-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Diethyl-2-hydroxy-1-propoxy-2.lambda.~5~-1-triazene",NA,"CCCON=[N+](N(CC)CC)[O-]","SRMGPOJFLKZFES-NTMALXAHSA-N",9555820,NA,"PDBC06930","634617","Present",NA,NA
+"6931","(Z)-Fluoro-N,N-dimethyl((trifluoromethyl)phosphinidene)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Fluoro-N,N-dimethyl((trifluoromethyl)phosphinidene)methanamine",NA,"CN(C)C(=PC(F)(F)F)F","JAFKXNNBVUDANZ-UHFFFAOYSA-N",374024,NA,"PDBC06931","651203","Present",NA,NA
+"6932","(Z)-Methyl 2-(2-((1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-2-phenyl-1H-imidazol-4(5H)-ylidene)methyl)phenoxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-methyl 2-(2-((1-(2-chloro-5-(trifluoromethyl)phenyl)...",NA,"COC(=O)COC1=CC=CC=C1C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl","FGEFQMSZDKQYCF-MOSHPQCFSA-N",45028020,NA,"PDBC06932","740620","Present",NA,NA
+"6933","(Z)-Methyl 2-(4-((1-(2-chloro-5-(trifluoromethyl)phenyl)-5-oxo-2-phenyl-1H-imidazol-4(5H)-ylidene)methyl)phenoxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-methyl 2-(4-((1-(2-chloro-5-(trifluoromethyl)phenyl)...",NA,"COC(=O)COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)C(F)(F)F)Cl","HFDQKZMPRFRSPA-BKUYFWCQSA-N",45028019,NA,"PDBC06933","740619","Present",NA,NA
+"6934","(Z)-N-(1,3-Benzodioxol-5-ylmethyl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(1,3-Benzodioxol-5-ylmethyl)-N-tert-butyl-3-phenylsulfanylprop-2-enamide",NA,"CC(C)(C)N(CC1=CC2=C(C=C1)OCO2)C(=O)C=CSC3=CC=CC=C3","OHHVAYUTUCSMON-QXMHVHEDSA-N",5470808,NA,"PDBC06934","705327","Present",NA,NA
+"6935","(Z)-N-(2-Chlorophenyl)-N,2-dimethyl-3-tri(propan-2-yl)silyloxybut-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(2-Chlorophenyl)-N,2-dimethyl-3-tri(propan-2-yl)silyloxybut-2-enamide",NA,"CC(C)[Si](C(C)C)(C(C)C)OC(=C(C)C(=O)N(C)C1=CC=CC=C1Cl)C","NBRZXKKEZXCTEK-ZCXUNETKSA-N",5470311,NA,"PDBC06935","699403","Present",NA,NA
+"6936","(Z)-N-(2-Chlorophenyl)-N-methyl-3-tri(propan-2-yl)silyloxybut-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(2-Chlorophenyl)-N-methyl-3-tri(propan-2-yl)silyloxybut-2-enamide",NA,"CC(C)[Si](C(C)C)(C(C)C)OC(=CC(=O)N(C)C1=CC=CC=C1Cl)C","ZXWAXYAKVRPPNO-LGMDPLHJSA-N",5470310,NA,"PDBC06936","699399","Present",NA,NA
+"6937","(Z)-N-(3-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(3-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide",NA,"CCOC(=C(C(=N)N1CCOCC1)C(=O)NC2=CC(=CC=C2)Cl)O","NICHYXPYBFOFFV-BURJPGGPSA-N",135426612,NA,"PDBC06937","703903","Present",NA,NA
+"6938","(Z)-N-(3-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(3-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide",NA,"CCOC(=C(C(=N)N1CCCC1)C(=O)NC2=CC(=CC=C2)Cl)O","GBKDGPGFNTUNMX-BURJPGGPSA-N",135426607,NA,"PDBC06938","703898","Present",NA,NA
+"6939","(Z)-N-(4-Chlorophenyl)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(4-Chlorophenyl)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enamide",NA,"C1CN(C(=S)N1C=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)C(=O)C3=CC=CO3","XOEBLQNXRXTYEU-QXMHVHEDSA-N",24203792,NA,"PDBC06939","729524","Present",NA,NA
+"6940","(Z)-N-(4-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(4-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(morpholine-4-carboximidoyl)prop-2-enamide",NA,"CCOC(=C(C(=N)N1CCOCC1)C(=O)NC2=CC=C(C=C2)Cl)O","WUZJJJUTVMOOHN-BURJPGGPSA-N",135426610,NA,"PDBC06940","703901","Present",NA,NA
+"6941","(Z)-N-(4-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(4-Chlorophenyl)-3-ethoxy-3-hydroxy-2-(pyrrolidine-1-carboximidoyl)prop-2-enamide",NA,"CCOC(=C(C(=N)N1CCCC1)C(=O)NC2=CC=C(C=C2)Cl)O","BLOQPGARQGROCM-BURJPGGPSA-N",135426606,NA,"PDBC06941","703897","Present",NA,NA
+"6942","(Z)-N-(Oxiran-2-ylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(Oxiran-2-ylmethoxy)-6,7,8,9-tetrahydrobenzo[7]annulen-5-imine",NA,"C1CCC(=NOCC2CO2)C3=CC=CC=C3C1","LTMIGQKLRCCGLK-PFONDFGASA-N",6288461,NA,"PDBC06942","622930","Present",NA,NA
+"6943","(Z)-N-Butyl-5-trimethylsilylhept-5-en-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-Butyl-5-trimethylsilylhept-5-en-1-amine",NA,"CCCCNCCCCC(=CC)[Si](C)(C)C","WOBFJIMQGZUBBB-AUWJEWJLSA-N",5386722,NA,"PDBC06943","617357","Present",NA,NA
+"6944","(Z)-N-Methoxy-1-phenoxathiin-2-ylmethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691892",NA,"CON=CC1=CC2=C(C=C1)OC3=CC=CC=C3S2","AUVRMLAAPHGBTP-DHDCSXOGSA-N",5930847,NA,"PDBC06944","691892","Present",NA,NA
+"6945","(Z)-N-Tert-butyl-2-phenyl-3-phenylsulfanylprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-Tert-butyl-2-phenyl-3-phenylsulfanylprop-2-enamide",NA,"CC(C)(C)NC(=O)C(=CSC1=CC=CC=C1)C2=CC=CC=C2","APHOPDRCFGKIKO-VKAVYKQESA-N",5470813,NA,"PDBC06945","705332","Present",NA,NA
+"6946","(Z)-N-Tert-butyl-N-[(3-methoxyphenyl)methyl]-3-phenylsulfanylprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-Tert-butyl-N-[(3-methoxyphenyl)methyl]-3-phenylsulfanylprop-2-enamide",NA,"CC(C)(C)N(CC1=CC(=CC=C1)OC)C(=O)C=CSC2=CC=CC=C2","QWWPYRCDGPXHHY-YPKPFQOOSA-N",5470816,NA,"PDBC06946","705335","Present",NA,NA
+"6947","(Z)-N-Tert-butyl-N-[(Z)-2-methyl-3-phenylprop-2-enyl]-3-phenylsulfanylprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-Tert-butyl-N-[(Z)-2-methyl-3-phenylprop-2-enyl]-3-phenylsulfanylprop-2-enamide",NA,"CC(=CC1=CC=CC=C1)CN(C(=O)C=CSC2=CC=CC=C2)C(C)(C)C","BVONSTCKJWVGQA-RKXLPSGMSA-N",5470817,NA,"PDBC06947","705336","Present",NA,NA
+"6948","(Z)-N-[(Z)-(5-Bromo-2-oxo-indolin-3-ylidene)amino]-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-[(Z)-(5-Bromo-2-oxo-indolin-3-ylidene)amino]-4-(4-chlorophenyl)-2-hydroxy-4-oxo-but-2-enamide",NA,"C1=CC(=CC=C1C(=CC(=O)C(=O)N=NC2=C(NC3=C2C=C(C=C3)Br)O)O)Cl","BUCFALJOQKQOFN-GENUSMHZSA-N",135426685,NA,"PDBC06948","707059","Present",NA,NA
+"6949","(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dibutylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine",NA,NA,NA,NA,NA,"PDBC06949","630457","Present",NA,NA
+"6950","(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dimethylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-[(Z)-[Benzylsulfanyl-[[(Z)-C-benzylsulfanyl-N-[(Z)-1-pyridin-2-ylethylideneamino]carbonimidoyl]sulfanyl-dimethylstannyl]sulfanylmethylidene]amino]-1-pyridin-2-ylethanimine",NA,NA,NA,NA,NA,"PDBC06950","630456","Present",NA,NA
+"6951","(Z)-N-[1-Hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-2-methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-[1-Hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-2-methyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide",NA,"CC1=C(C(=O)NC(=O)N1)C=C(C)C(=O)NC(CO)CSCSC","PHNDAAHKXMCWTN-YWEYNIOJSA-N",54600364,NA,"PDBC06951","208916","Present",NA,NA
+"6952","(Z)-N-[1-Hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-[1-Hydroxy-3-(methylsulfanylmethylsulfanyl)propan-2-yl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide",NA,"CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CSCSC","LJFIHLCSTKGOGE-ARJAWSKDSA-N",54600519,NA,"PDBC06952","251820","Present",NA,NA
+"6953","(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[3-[tert-butyl(dimethyl)silyl]oxy-4-methoxyphenyl]methanimine",NA,"CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)C=NO[Si](C)(C)C(C)(C)C)OC","WJVLSGYGUKKMED-QNGOZBTKSA-N",5837898,NA,"PDBC06953","620547","Present",NA,NA
+"6954","(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[3-[tert-butyl(dimethyl)silyl]oxyphenyl]methanimine",NA,"CC(C)(C)[Si](C)(C)OC1=CC=CC(=C1)C=NO[Si](C)(C)C(C)(C)C","AIOQXSULGQLXLW-HKWRFOASSA-N",5876528,NA,"PDBC06954","620528","Present",NA,NA
+"6955","(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[4-[tert-butyl(dimethyl)silyl]oxy-3-methoxyphenyl]methanimine",NA,"CC(C)(C)[Si](C)(C)OC1=C(C=C(C=C1)C=NO[Si](C)(C)C(C)(C)C)OC","YFJLHBHETMMFRW-QNGOZBTKSA-N",6140846,NA,"PDBC06955","620534","Present",NA,NA
+"6956","(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-[Tert-butyl(dimethyl)silyl]oxy-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methanimine",NA,"CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C=NO[Si](C)(C)C(C)(C)C","YEYDWXCFCHLAQA-HKWRFOASSA-N",6374163,NA,"PDBC06956","620535","Present",NA,NA
+"6957","(Z)-Oxido-[4-[[5-[(E)-oxidodiazenyl]-3-(2-phenylethyl)oxadiazol-3-ium-4-yl]methyl]-3-(2-phenylethyl)oxadiazol-3-ium-5-yl]diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Oxido-[4-[[5-[(E)-oxidodiazenyl]-3-(2-phenylethyl)oxadiazol-3-ium-4-yl]methyl]-3-(2-phenylethyl)oxadiazol-3-ium-5-yl]diazene",NA,"C1=CC=C(C=C1)CC[N+]2=NOC(=C2CC3=C(ON=[N+]3CCC4=CC=CC=C4)N=N[O-])N=N[O-]","MFUZAVARFCWAHT-UHFFFAOYSA-N",5466145,NA,"PDBC06957","679183","Present",NA,NA
+"6958","(Z)-[2-[(2,5-Dioxopyrrolidin-1-yl)methyl]phenyl]-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]imino-oxido-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2,5-Dioxopyrrolidin-1-yl)methyl]phenyl]-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]imino-oxidoazanium",NA,"C1CC(=O)N(C1=O)CC2=CC=CC=C2N=[N+](C3=CC=CC=C3CN4C(=O)CCC4=O)[O-]","PGDHHYNUJGQPPN-UHFFFAOYSA-N",376199,NA,"PDBC06958","656736","Present",NA,NA
+"6959","(Z)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-[4-Decylidene-2-(hydroxymethyl)-5-oxo-2,3-dihydrofur-2-yl]methyl cyclohexanecarboxylate",NA,"CCCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)C2CCCCC2","TWJLJPPXHKRRIE-HKWRFOASSA-N",5470627,NA,"PDBC06959","703755","Present",NA,NA
+"6960","(Z)-[5-(3-Carboxy-N-methylanilino)-2,4-dinitrophenoxy]imino-(dimethylamino)-oxidoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(O2-[2,4-dinitro-5-(N-methyl-N-3-carboxyphenylamino)phen...",NA,"CN(C)[N+](=NOC1=C(C=C(C(=C1)N(C)C2=CC=CC(=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[O-]","QBHSLICNFYJTEK-XLNRJJMWSA-N",11567964,NA,"PDBC06960","731702","Present",NA,NA
+"6961","(Z)-[5-(3-Carboxyanilino)-2,4-dinitrophenoxy]imino-(dimethylamino)-oxidoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(O2-[2,4-dinitro-5-(N-3-caboethoxyphenylamino)phenyl 1-N...",NA,"CN(C)[N+](=NOC1=C(C=C(C(=C1)NC2=CC=CC(=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[O-]","JMWYZQWHCQIRKO-FXBPSFAMSA-N",11509692,NA,"PDBC06961","731706","Present",NA,NA
+"6962","(Z)-[5-(4-Carboxy-N-methylanilino)-2,4-dinitrophenoxy]imino-(dimethylamino)-oxidoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(O2-[2,4-dinitro-5-(N-methyl-N-4-carboxyphenylamino)phen...",NA,"CN(C)[N+](=NOC1=C(C=C(C(=C1)N(C)C2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[O-]","MRCBZTBFHKYOKS-XLNRJJMWSA-N",11154356,NA,"PDBC06962","731703","Present",NA,NA
+"6963","(Z)-[5-(4-Carboxyanilino)-2,4-dinitrophenoxy]imino-(dimethylamino)-oxidoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(O2-[2,4-dinitro-5-(N-4-caboethoxyphenylamino)phenyl 1-N...",NA,"CN(C)[N+](=NOC1=C(C=C(C(=C1)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-])[N+](=O)[O-])[O-]","XAARCECGRZMFSP-FXBPSFAMSA-N",11582215,NA,"PDBC06963","731705","Present",NA,NA
+"6964","(Z)-[Cyclohexyl-(4-methoxyphenyl)methyl]-methoxycarbonylimino-oxido-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-[Cyclohexyl-(4-methoxyphenyl)methyl]-methoxycarbonylimino-oxido-ammonium",NA,"COC1=CC=C(C=C1)C(C2CCCCC2)[N+](=NC(=O)OC)[O-]","HPXCZPHXMGWMRR-ZCXUNETKSA-N",9556322,NA,"PDBC06964","692597","Present",NA,NA
+"6965","(Z)-{2-(Hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl benzoate",NA,"CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C2=CC=CC=C2)C(C)C","LBUKYFWZBTXWFE-ZDLGFXPLSA-N",5470629,NA,"PDBC06965","703757","Present",NA,NA
+"6966","(Z)-{2-(Hydroxymethyl)-4-[4-methyl-3-(methylethyl)pentylidene]-5-oxo-2,3-dihydrofur-2-yl}methylcyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl cyclohexanecarboxylate",NA,"CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C2CCCCC2)C(C)C","MQVKKNWFZZUPHW-ZDLGFXPLSA-N",5470631,NA,"PDBC06966","703759","Present",NA,NA
+"6967","(Z)3,4,5-Trimethoxy-4'-ethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)3,4,5-Trimethoxy-4'-ethoxystilbene",NA,"CCOC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","DSXJJVAVIOTERY-SREVYHEPSA-N",5388749,NA,"PDBC06967","638404","Present",NA,NA
+"6968","(Z)3,4,5-Trimethoxy-4'-methylstilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)3,4,5-Trimethoxy-4'-methylstilbene",NA,"CC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","YSJFPRSDNPCGBF-KTKRTIGZSA-N",5388767,NA,"PDBC06968","638485","Present",NA,NA
+"6969","(Z)3,4,5-Trimethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)3,4,5-Trimethoxystilbene",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=CC=C2","CMQGCWMEXQRWSS-KTKRTIGZSA-N",5388756,NA,"PDBC06969","638411","Present",NA,NA
+"6970","(Z,1R)-1-[(2R,3R,5Z)-3-[Tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-trimethylsilylhex-3-en-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z,1R)-1-[(2R,3R,5Z)-3-[Tert-butyl(dimethyl)silyl]oxy-2-ethyl-3,4,7,8-tetrahydro-2H-oxocin-8-yl]-6-trimethylsilylhex-3-en-5-yn-1-ol",NA,"CCC1C(CC=CCC(O1)C(CC=CC#C[Si](C)(C)C)O)O[Si](C)(C)C(C)(C)C","AEAYTIFDAAZKPN-YSOABVGZSA-N",54608568,NA,"PDBC06970","695209","Present",NA,NA
+"6971","(Z,3Z)-1,2-Dichloro-N,N-diethyl-3-(3-methoxy-7-azabicyclo[4.2.0]octa-1(6),2,4-trien-8-ylidene)-3-nitroprop-1-en-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z,3Z)-1,2-Dichloro-N,N-diethyl-3-(3-methoxy-7-azabicyclo[4.2.0]octa-1(6),2,4-trien-8-ylidene)-3-nitroprop-1-en-1-amine;hydrochloride",NA,"CCN(CC)C(=C(C(=C1C2=C(N1)C=CC(=C2)OC)[N+](=O)[O-])Cl)Cl.Cl","MFZOABHVBKZKRN-INWZTCDFSA-N",5471293,NA,"PDBC06971","710284","Present",NA,NA
+"6972","(Z,7S)-8-[Tert-butyl(dimethyl)silyl]oxy-7-[(9-phenylfluoren-9-yl)amino]oct-5-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z,7S)-8-[Tert-butyl(dimethyl)silyl]oxy-7-[(9-phenylfluoren-9-yl)amino]oct-5-enoic acid",NA,"CC(C)(C)[Si](C)(C)OCC(C=CCCCC(=O)O)NC1(C2=CC=CC=C2C3=CC=CC=C31)C4=CC=CC=C4","UEPVIFJQIUJUFH-FUJNUPIQSA-N",5471922,NA,"PDBC06972","715433","Present",NA,NA
+"6973","(biphenyl-4-methylene-hydrazinomethylcarbonylsulfanyl)ac...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(biphenyl-4-methylene-hydrazinomethylcarbonylsulfanyl)ac...",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C=NNC(=O)CSCC(=O)NN=CC3=CC=C(C=C3)C4=CC=CC=C4","WYBKVSMSWJMAFI-CDSIFPFTSA-N",9572669,NA,"PDBC06973","724064","Present",NA,NA
+"6974","(dioxo[?]yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(dioxo[?]yl) acetate",NA,"CC(=O)OC12C(C3C1C(=O)OC3=O)C4=CC=CC=C4C5=CC=CC=C25","UJAGUKNREZHAON-UHFFFAOYSA-N",372344,NA,"PDBC06974","647403","Present",NA,NA
+"6975","(e)-2-Methyl-10-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocyclohepta[d]thiazolo[3,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-methyl-10-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-t...",NA,"CC1=CN2C(C3=C(C(=CC4=CC(=C(C(=C4)OC)OC)OC)CCCC3)N=C2S1)C5=CC(=C(C(=C5)OC)OC)OC","JFNHKSJTHYDVHG-UDWIEESQSA-N",76853564,NA,"PDBC06975","764022","Present",NA,NA
+"6976","(e)-5-Chloro-3-((6-(4-chlorophenyl)-2-cyclopropylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methylene)indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-chloro-3-((6-(4-chlorophenyl)-2-cyclopropylimidazo...",NA,"C1CC1C2=NN3C(=C(N=C3S2)C4=CC=C(C=C4)Cl)C=C5C6=C(C=CC(=C6)Cl)NC5=O","WFDFTEILNYKGEW-MHWRWJLKSA-N",154584438,NA,"PDBC06976","774989","Present",NA,NA
+"6977","(e)-Bis(3-nitrophenyl)diarsene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-41370",NA,"C1=CC(=CC(=C1)[As]=[As]C2=CC=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]","CKTGDBNPJIMZJP-UHFFFAOYSA-N",237667,NA,"PDBC06977","41370","Present",NA,NA
+"6978","(e)-Ethyl 9-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trimethoxyphenyl)-6,7,8,9-tetrahydro-5h-thiazolo[2,3-b]quinazoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-ethyl 9-(3,4,5-trimethoxybenzylidene)-5-(3,4,5-trime...",NA,"CCOC(=O)C1=CSC2=NC3=C(CCCC3=CC4=CC(=C(C(=C4)OC)OC)OC)C(N12)C5=CC(=C(C(=C5)OC)OC)OC","MCTLUBIEHGQESO-XDHOZWIPSA-N",76853562,NA,"PDBC06978","763541","Present",NA,NA
+"6979","(hexachloro[?]yl) acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(hexachloro[?]yl) acetate",NA,"CC(=O)OC1C2CCC1C3C2C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl","SBDFAYSYHLEGJM-UHFFFAOYSA-N",361985,NA,"PDBC06979","625463","Present",NA,NA
+"6980","(isopropylamino)[?]ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(isopropylamino)[?]ol",NA,"CC(C)NC1CCCCC2C1(C3=CC=CC=C23)O","JYLTYLGMYCSVSD-UHFFFAOYSA-N",375506,NA,"PDBC06980","655288","Present",NA,NA
+"6981","(l)-Edunol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(l)-Edunol",NA,"CC(=CCC1=CC2=C(C=C1O)OCC3C2OC4=CC5=C(C=C34)OCO5)C","UFBHHWPUVXVFRG-BTYIYWSLSA-N",182148,NA,"PDBC06981","356826","Present",NA,NA
+"6982","(p-Nitrobenzyl)triphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT026290",NA,"C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","IPJPTPFIJLFWLP-UHFFFAOYSA-M",197008,NA,"PDBC06982","617038","Present",NA,NA
+"6983","(p-Nitrophenyl)phenyliodonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(p-Nitrophenyl)phenyliodonium bromide",NA,"C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-].[Br-]","KWVVQCUQKOQNKK-UHFFFAOYSA-M",19992,NA,"PDBC06983","86354","Present",NA,NA
+"6984","(r,s)-roscovitine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(r,s)-roscovitine",NA,"CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3","BTIHMVBBUGXLCJ-UHFFFAOYSA-N",5097,NA,"PDBC06984","683246","Present",NA,NA
+"6985","(s)-Methyl 2-oxooxazolidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676712",NA,"COC(=O)C1COC(=O)N1","PZIWTVKXOORXAZ-VKHMYHEASA-N",385463,NA,"PDBC06985","676712","Present",NA,NA
+"6986","(selenophene-2,5-diylbis(furan-5,2-diyl))dimethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(selenophene-2,5-diylbis(furan-5,2-diyl))dimethanol",NA,"C1=C(OC(=C1)C2=CC=C([Se]2)C3=CC=C(O3)CO)CO","CLHWRMBDRODQSV-UHFFFAOYSA-N",85761449,NA,"PDBC06986","773392","Present",NA,NA
+"6987","(sp-4-2)-mu4-[n,n<U+00F8>-bis(3-aminopropyl)butane-1,4-diamine]...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(sp-4-2)-mu4-[n,n<U+00F8>-bis(3-aminopropyl)butane-1,4-diamine]...",NA,NA,NA,NA,NA,"PDBC06987","755123","Present",NA,NA
+"6988","(thiophene-2,4-diylbis(furan-5,2-diyl))dimethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(thiophene-2,4-diylbis(furan-5,2-diyl))dimethanol",NA,"C1=C(OC(=C1)C2=CC(=CS2)C3=CC=C(O3)CO)CO","ZVWQSTBARRBMBR-UHFFFAOYSA-N",155816840,NA,"PDBC06988","782846","Present",NA,NA
+"6989","(thiophene-2,5-diylbis(furan-5,2-diyl))dimethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(thiophene-2,5-diylbis(furan-5,2-diyl))dimethanol",NA,"C1=C(OC(=C1)C2=CC=C(S2)C3=CC=C(O3)CO)CO","GRVJRZFWINJLLL-UHFFFAOYSA-N",71530013,NA,"PDBC06989","773097","Present",NA,NA
+"6990","(thiophene-3,4-diylbis(furan-5,2-diyl))dimethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(thiophene-3,4-diylbis(furan-5,2-diyl))dimethanol",NA,"C1=C(OC(=C1)C2=CSC=C2C3=CC=C(O3)CO)CO","KLLLEBRYCASLCV-UHFFFAOYSA-N",155809776,NA,"PDBC06990","777422","Present",NA,NA
+"6991","(z)-1,4-Dimethoxy-2-butene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(z)-1,4-Dimethoxy-2-butene",NA,"COCC=CCOC","RXNMLQHZBCJMBA-ARJAWSKDSA-N",5386697,NA,"PDBC06991","617174","Present",NA,NA
+"6992","(z)-[2-(Hydroxymethyl)phenyl]-[2-(hydroxymethyl)phenyl]imino-oxido-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(z)-[2-(Hydroxymethyl)phenyl]-[2-(hydroxymethyl)phenyl]imino-oxido-ammonium",NA,"C1=CC=C(C(=C1)CO)N=[N+](C2=CC=CC=C2CO)[O-]","OKCYVCFBMITAFC-UHFFFAOYSA-N",392332,NA,"PDBC06992","692608","Present",NA,NA
+"6993","({5-[4-(1,3-Benzoxazol-2-yl)phenyl]-2-furyl}methylene)malono nitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"({5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-furyl}methylene)ma...",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(O4)C=C(C#N)C#N","VEBRWVWONCGJCM-UHFFFAOYSA-N",24203194,NA,"PDBC06993","727100","Present",NA,NA
+"6994","({6-[(Bis-tert-butoxycarbonylmethyl-amino)-methyl]-4-ethynyl-pyridin-2-ylmethyl}-tert-butoxycarbonylmethyl-amino)-acetic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-[[6-[[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]methyl]-4-ethynylpyridin-2-yl]methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate",NA,"CC(C)(C)OC(=O)CN(CC1=CC(=CC(=N1)CN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C#C)CC(=O)OC(C)(C)C","SDNOYRDLSSQQHR-UHFFFAOYSA-N",369525,NA,"PDBC06994","641380","Present",NA,NA
+"6995",".alpha.-6-Ethyl-Swainsonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-6-Ethyl-Swainsonine",NA,"CCC1CC(C2C(C(CN2C1)O)O)O","TYUMNOPLNHWOHH-VVULQXIFSA-N",389718,NA,"PDBC06995","686310","Present",NA,NA
+"6996",".alpha.-7-Butyl-8,8a-Diepiswainsonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-7-Butyl-8,8a-Diepiswainsonine",NA,"CCCCC1CCN2CC(C(C2C1O)O)O","XVUPRKGVSFXXQZ-LDMBFOFVSA-N",389716,NA,"PDBC06996","686308","Present",NA,NA
+"6997",".alpha.-7-Butyl-Swainsonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-7-Butyl-Swainsonine",NA,"CCCCC1CCN2CC(C(C2C1O)O)O","XVUPRKGVSFXXQZ-LZQZFOIKSA-N",389720,NA,"PDBC06997","686312","Present",NA,NA
+"6998",".alpha.-Boswellic acid acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Boswellic acid acetate",NA,"CC(=O)OC1CCC2(C(C1(C)C(=O)O)CCC3(C2CC=C4C3(CCC5(C4CC(CC5)(C)C)C)C)C)C","IAWGZKRQDHPFCZ-RSFPQAFHSA-N",6711382,NA,"PDBC06998","624806","Present",NA,NA
+"6999",".alpha.-Coralydine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Coralydine",NA,"CC1C2=CC(=C(C=C2CC3N1CCC4=CC(=C(C=C34)OC)OC)OC)OC","ZAODQVCWAXRSRG-UGSOOPFHSA-N",5380458,NA,"PDBC06999","97599","Present",NA,NA
+"7000",".alpha.-Sarcin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Sarcin",NA,NA,NA,NA,NA,"PDBC07000","46401","Present",NA,NA
+"7001",".beta.-6-(2-Benzyloxyethyl)-Swainsonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-6-(2-Benzyloxyethyl)-Swainsonine",NA,"C1C(CN2CC(C(C2C1O)O)O)CCOCC3=CC=CC=C3","QIVNXWLCWJSNQS-MZBWOGCUSA-N",389715,NA,"PDBC07001","686307","Present",NA,NA
+"7002",".beta.-6-Ethyl-Swainsonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-6-Ethyl-Swainsonine",NA,"CCC1CC(C2C(C(CN2C1)O)O)O","TYUMNOPLNHWOHH-VAPHQMJDSA-N",389717,NA,"PDBC07002","686309","Present",NA,NA
+"7003",".beta.-Boswellic acid acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Boswellic acid acetate",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C(=O)O)OC(=O)C)C)C)C2C1C)C)C","YJBVHJIKNLBFDX-XSRQPXBWSA-N",6711383,NA,"PDBC07003","624807","Present",NA,NA
+"7004",".beta.-Cyclodextrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622493///NSC622494",NA,NA,NA,NA,NA,"PDBC07004","622493///622494","Present",NA,NA
+"7005",".beta.-Phenylethyl 2,3,4-trihydroxycinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Phenylethyl 2,3,4-trihydroxycinnamate",NA,"C1=CC=C(C=C1)CCOC(=O)C=CC2=C(C(=C(C=C2)O)O)O","FNEKXKSALYUCNS-VQHVLOKHSA-N",6293958,NA,"PDBC07005","666591","Present",NA,NA
+"7006",".beta.-Phenylethyl 2,4,5-trihydroxycinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Phenylethyl 2,4,5-trihydroxycinnamate",NA,"C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2O)O)O","QJEKLVWUQDJCQE-VOTSOKGWSA-N",5933247,NA,"PDBC07006","666592","Present",NA,NA
+"7007",".beta.-Phenylethyl 3,4-difluoroycinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Phenylethyl 3,4-difluoroycinnamate",NA,"C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)F)F","TVFXDGFEJIQXBY-VQHVLOKHSA-N",5468521,NA,"PDBC07007","671186","Present",NA,NA
+"7008",".beta.-methylene sad",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-methylene sad",NA,"C1=C(N=C([Se]1)C2C(C(C(O2)COP(=O)(CP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)O)C(=O)N","BQVYVGJIUMNETO-UHFFFAOYSA-N",356937,NA,"PDBC07008","621959","Present",NA,NA
+"7009",".cis.-Bis(22,3-dionato)titanium(IV)-hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".cis.-Bis(22,23-dihydrostigmasterolato)bis(1-phenylbutan...",NA,"CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Ti+4]","VFPVIXPCEIBOPO-NNPGGIQQSA-N",369315,NA,"PDBC07009","641073","Present",NA,NA
+"7010",".cis.-Bis(stigmasterolato)bis(1-phenylbutane-1,3-dionato) titanium(IV)-hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".cis.-Bis(stigmasterolato)bis(1-phenylbutane-1,3-dionato...",NA,"CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Ti+4]","IVPIRZPEMYPPDX-KBNIVPJGSA-N",5466685,NA,"PDBC07010","641074","Present",NA,NA
+"7011",".cis.-Cyclohexane-1,N,N',N'-tetrakis(phosphonato methyl)ethylendiamine(2-)-N1,N2]platinum(II)-dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".cis.-Cyclohexane-1,2-diamine[N,N,N',N'-tetrakis(phospho...",NA,"C1CCC(C(C1)N)N.C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Pt+2]","OMFBCWSEULSRFN-GCTAOFAESA-F",24202343,NA,"PDBC07011","641068","Present",NA,NA
+"7012",".cis.-Diammine[N,N,N-1,2-diaminopropanetetrakis(methylene phosphonato-N1,N2)-(2-)]platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".cis.-Diammine[N,N,N,N-1,2-diaminopropanetetrakis(methyl...",NA,"CC(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].N.N.[Pt+2]","APYLWABDODPYJA-UHFFFAOYSA-F",24202344,NA,"PDBC07012","641069","Present",NA,NA
+"7013",".mu.-O-[Cl2(NH3)4Ru]2Cl3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".mu.-O-[Cl2(NH3)4Ru]2Cl3",NA,NA,NA,NA,NA,"PDBC07013","642082","Present",NA,NA
+"7014",".trans.-Methylindazolium[tetrachlorobis(1-methylindazole...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".trans.-Methylindazolium[tetrachlorobis(1-methylindazole...",NA,NA,NA,NA,NA,"PDBC07014","641070","Present",NA,NA
+"7015","06DO17125N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"06DO17125N",NA,"CN1C2=CC=CC=C2C3=C1C(=O)C4=CC=CC=C4N3","QVDRLIBKQUXZIZ-UHFFFAOYSA-N",337828,NA,"PDBC07015","357574","Present",NA,NA
+"7016","0740AD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"0740AD",NA,"C1C(=O)NC2=C(C(=O)N1)NC=N2","FXQGXBGGCANVFZ-UHFFFAOYSA-N",362126,NA,"PDBC07016","625659","Present",NA,NA
+"7017","0EV533MB5M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"0EV533MB5M",NA,"COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)OC","XYHIVQHSXGOAQP-UHFFFAOYSA-N",243760,NA,"PDBC07017","53907","Present",NA,NA
+"7018","0Y146T7L71",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"0Y146T7L71",NA,"C1=CC(=C(C=C1Cl)CC2=CC(=CC(=C2O)CC3=C(C=CC(=C3)Cl)O)Cl)O","FXHQZEJEBWTOJA-UHFFFAOYSA-N",62616,NA,"PDBC07018","47932","Present",NA,NA
+"7019","1',1'-Dichloro-1,2-ethano-o-carborane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1',1'-Dichloro-1,2-ethano-o-carborane",NA,NA,NA,NA,NA,"PDBC07019","676527","Present",NA,NA
+"7020","1',3',10-Trihydroxy-6'-methoxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1',3',10-Trihydroxy-6'-methoxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone",NA,"CCCCCC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CCC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O","NDQUDQSYCIBFNP-UHFFFAOYSA-N",135489796,NA,"PDBC07020","676767","Present",NA,NA
+"7021","1',3',9-Trihydroxy-6'-methoxy-3-pentylspiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1',3',9-Trihydroxy-6'-methoxy-3-pentylspiro[6,7-dihydro-2H-cyclopenta[g]isoquinoline-8,2'-cyclopenta[b]naphthalene]-1,4',5',8',9'-pentone",NA,"CCCCCC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O","MSWWWJNQMUSUSF-UHFFFAOYSA-N",135489797,NA,"PDBC07021","676769","Present",NA,NA
+"7022","1',4-Dibromo-5-methylphenyl)-D-ribofurano se",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1',2'-Dideoxy-b-1'-(2,4-dibromo-5-methylphenyl)-D-ribofu...",NA,"CC1=CC(=C(C=C1Br)Br)C2CC(C(O2)CO)O","KQELCGYUIFYBJY-UHFFFAOYSA-N",24205467,NA,"PDBC07022","735834","Present",NA,NA
+"7023","1',4-Dichloro-5-methylphenyl)-D-ribofuran ose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1',2'-Dideoxy-b-1'-(2,4-dichloro-5-methylphenyl)-D-ribof...",NA,"CC1=CC(=C(C=C1Cl)Cl)C2CC(C(O2)CO)O","VGSLYTSEZPNCIF-UHFFFAOYSA-N",24205468,NA,"PDBC07023","735835","Present",NA,NA
+"7024","1',5',6',7',8',9'-Hexahydro-spiro(cycloheptane-1,2'(4'H)-cyclohepta(d)(1,3)thiazine)-4'-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cycloheptane-1,2'(4'H)-cyclohepta[d][1,3]thiazine]...",NA,"C1CCCC2(CC1)NC3=C(CCCCC3)C(=S)S2","DTKGEAFPQADHNL-UHFFFAOYSA-N",3003861,NA,"PDBC07024","173981","Present",NA,NA
+"7025","1'-(2-Trimethylsilylethoxymethyl)-1-[tri(propan-2-yl)silylmethyl]spiro[cyclohexene-6,3'-indole]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-(2-Trimethylsilylethoxymethyl)-1-[tri(propan-2-yl)silylmethyl]spiro[cyclohexene-6,3'-indole]-2'-one",NA,"CC(C)[Si](CC1=CCCCC12C3=CC=CC=C3N(C2=O)COCC[Si](C)(C)C)(C(C)C)C(C)C","OXLVWSUWNROLTL-UHFFFAOYSA-N",395110,NA,"PDBC07025","699400","Present",NA,NA
+"7026","1'-(4-Methylphenyl)sulfonyl-2'-phenyl-2-[(E)-2-phenylethenyl]spiro[indole-3,3'-pyrrolidine]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-(4-Methylphenyl)sulfonyl-2'-phenyl-2-[(E)-2-phenylethenyl]spiro[indole-3,3'-pyrrolidine]",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(C2C4=CC=CC=C4)C5=CC=CC=C5N=C3C=CC6=CC=CC=C6","HWIKZZXDQOKZKI-DYTRJAOYSA-N",5387833,NA,"PDBC07026","627872","Present",NA,NA
+"7027","1'-(Dimethoxymethyl)spiro[1,3-dioxepane-2,7'-5,6,8,9-tetrahydrobenzo[8]annulene]-10'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-(dimethoxymethyl)spiro[1,3-dioxepane-2,7'-5,6,8,9-tetrahydrobenzo[8]annulene]-10'-one",NA,"COC(C1=CC=CC2=C1C(=O)CCC3(CC2)OCCCCO3)OC","PUYLSYUHADCCHU-UHFFFAOYSA-N",375524,NA,"PDBC07027","655303","Present",NA,NA
+"7028","1'-(Methyl sulfonyl)-17alpha-D-homo-5-androsteno[17,16-c]pyrazol-3beta-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-(methyl sulfonyl)-17.alpha.-D-homo-5-androsteno[17,16...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=CN(N=C5N4)S(=O)(=O)C)C)C","UAZACUOPCXWOCL-PNKHTPRWSA-N",383424,NA,"PDBC07028","671763","Present",NA,NA
+"7029","1'-Bromospiro[1,3-dioxolane-2,9'-pentacyclo[4.3.0.02,4.03,8.05,7]nonane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bromospiro[1,3-dioxolane-2,[?]-[?]]",NA,"C1COC2(O1)C3C4C5C4C2(C6C5C63)Br","PCWSXZKCMFZMDA-UHFFFAOYSA-N",371794,NA,"PDBC07029","646238","Present",NA,NA
+"7030","1'-Hydroxy-2'-(3,4,5-trimethoxybenzoyl)-1'-(3,4,5-trimethoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-hydroxy-2'-(3,4,5-trimethoxybenzoyl)-1'-(3,4,5-trimethoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C2CC3(CCC2(C4=CC(=C(C(=C4)OC)OC)OC)O)CC(=O)NC5=CC=CC=C5C3=O","ZLDVRLQYZOGQBP-UHFFFAOYSA-N",388192,NA,"PDBC07030","682760","Present",NA,NA
+"7031","1'-Hydroxy-2'-(4-methoxybenzoyl)-1'-(4-methoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-hydroxy-2'-(4-methoxybenzoyl)-1'-(4-methoxyphenyl)spiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,"COC1=CC=C(C=C1)C(=O)C2CC3(CCC2(C4=CC=C(C=C4)OC)O)CC(=O)NC5=CC=CC=C5C3=O","AKNPFHIACHOPAR-UHFFFAOYSA-N",388190,NA,"PDBC07031","682758","Present",NA,NA
+"7032","1'-Hydroxy-2'-(naphthalene-1-carbonyl)-1'-naphthalen-1-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-Hydroxy-2'-(naphthalene-1-carbonyl)-1'-naphthalen-1-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,"C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CC5=CC=CC=C54)(C6=CC=CC7=CC=CC=C76)O","MSLGCMQUDIDOPB-UHFFFAOYSA-N",388195,NA,"PDBC07032","682763","Present",NA,NA
+"7033","1'-Hydroxy-2'-(naphthalene-2-carbonyl)-1'-naphthalen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-Hydroxy-2'-(naphthalene-2-carbonyl)-1'-naphthalen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,"C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC5=CC=CC=C5C=C4)(C6=CC7=CC=CC=C7C=C6)O","TZDVLBTZGPXTJD-UHFFFAOYSA-N",388194,NA,"PDBC07033","682762","Present",NA,NA
+"7034","1'-Hydroxy-2'-(thiophene-2-carbonyl)-1'-thiophen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-Hydroxy-2'-(thiophene-2-carbonyl)-1'-thiophen-2-ylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,"C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CS4)(C5=CC=CS5)O","CQMGSRFJXIRQCZ-UHFFFAOYSA-N",388189,NA,"PDBC07034","682757","Present",NA,NA
+"7035","1'-Methyl-1-triisopropylsilyloxy-spiro[cycloheptene-7,3'-indoline]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-Methyl-1-tri(propan-2-yl)silyloxyspiro[cycloheptene-7,3'-indole]-2'-one",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=CCCCCC12C3=CC=CC=C3N(C2=O)C","IJOMWTSVBNBDPQ-UHFFFAOYSA-N",395117,NA,"PDBC07035","699407","Present",NA,NA
+"7036","1'-Phenylspiro[1,3-dioxolane-2,8'-5,5a,6,7,9,9a,10,10a-octahydro-1H-[1,3]oxazolo[3,4-b]isoquinoline]-3'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-Phenylspiro[1,3-dioxolane-2,8'-5,5a,6,7,9,9a,10,10a-octahydro-1H-[1,3]oxazolo[3,4-b]isoquinoline]-3'-one",NA,"C1CC2(CC3C1CN4C(C3)C(OC4=O)C5=CC=CC=C5)OCCO2","BTLYMHHVIZBAMH-UHFFFAOYSA-N",359586,NA,"PDBC07036","620580","Present",NA,NA
+"7037","1'-[4-(4-Fluorophenyl)-4-oxobutyl]-6-methoxyspiro[1,2,4-benzotriazine-3(4H),4'-piperidine]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Fluorophenyl)-4-(6-methoxyspiro[4H-1,2,4-benzotriazine-3,4'-piperidine]-1'-yl)butan-1-one",NA,"COC1=CC2=C(C=C1)N=NC3(N2)CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F","WKRHEYPXRKTQRA-UHFFFAOYSA-N",135426597,NA,"PDBC07037","703163","Present",NA,NA
+"7038","1'-[6-(Quinazoline2,4-dione)]-2'-deoxy-beta-D-ribofuranose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-[6-(quinazoline2,4-dione)]-2'-deoxy-.beta.-D-ribofura...",NA,"C1C(C(OC1C2=CC3=C(C=C2)NC(=O)NC3=O)CO)O","SGUCPRINDGTIGI-UHFFFAOYSA-N",24205392,NA,"PDBC07038","735360","Present",NA,NA
+"7039","1'-acetoxychavicol acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-acetoxychavicol acetate",NA,"CC(=O)OC1=CC=C(C=C1)C(C=C)OC(=O)C","JAMQIUWGGBSIKZ-UHFFFAOYSA-N",400072,NA,"PDBC07039","711510","Present",NA,NA
+"7040","1'-beta-(4-Nitro-5-amino-1-imidazolyl)-5'-D-ribosyl 5-nitrofurfuryl N-methyl-N-(4-chorobutyl) phosphoramidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-beta-(4-nitro-5-amino-1-imidazolyl)-5'-D-ribosyl 5-ni...",NA,"CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=NC(=C2N)[N+](=O)[O-])O)O)OCC3=CC=C(O3)[N+](=O)[O-]","BFYXOALVCUWMQB-UHFFFAOYSA-N",24203651,NA,"PDBC07040","729025","Present",NA,NA
+"7041","1'-beta-(5-Ethynyl-4-carboxamido-1-imidazolyl)-D-ribosyl 5-nitrofuryl N-methyl-N-(4-chlorobutyl) phosphoramidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-beta-(5-ethynyl-4-carboxamido-1-imidazolyl)-D-ribosyl...",NA,"CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=NC(=C2C#C)C(=O)N)O)O)OCC3=CC=C(O3)[N+](=O)[O-]","ADAUASBJUPIOLB-UHFFFAOYSA-N",24204578,NA,"PDBC07041","732226","Present",NA,NA
+"7042","1'-beta-6-[2-Amino-(8-methyl-4-oxo-1,4-dihydroquinazolin-2-yl)]-2'-deoxy-D-ribofuranose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-.beta.-6-[2-amino-(8-methyl-4-oxo-1,4-dihydroquinazol...",NA,"CC1=CC(=CC2=C1N=C(NC2=O)N)C3CC(C(O3)CO)O","GCPUJIHIPYIENS-UHFFFAOYSA-N",135580411,NA,"PDBC07042","735361","Present",NA,NA
+"7043","1'-beta-7-(1H-Benzoquinazoline-2,4-dione)-2'-deoxy-D-ribofuranose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-.beta.-7-(1H-benzoquinazoline-2,4-dione)-2'-deoxy-D-r...",NA,"C1C(C(OC1C2=CC3=CC4=C(C=C3C=C2)NC(=O)NC4=O)CO)O","YIMUZUWFACTGKI-UHFFFAOYSA-N",24205394,NA,"PDBC07043","735362","Present",NA,NA
+"7044","1'-beta-7-(2-Amino-1H-benzoquinazolin-4-one)-2'-deoxy-D-ribofuranose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-.beta.-7-(2-amino-1H-benzoquinazolin-4-one)-2'-deoxy-...",NA,"C1C(C(OC1C2=CC3=CC4=C(C=C3C=C2)N=C(NC4=O)N)CO)O","BVFKOMJITOQCOQ-UHFFFAOYSA-N",135580412,NA,"PDBC07044","735363","Present",NA,NA
+"7045","1(2-Naphthyl)-3-(4-methylphenyl)imino-1-propenyl-1-(4-methyl phenyl)amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1(2-naphthyl)-3-(4-methylphenyl)imino-1-propenyl-1-(4-me...",NA,"CC1=CC=C(C=C1)NC(=CC=NC2=CC=C(C=C2)C)C3=CC4=CC=CC=C4C=C3.Cl","MTFCGBIEHOYXRI-VZLLZMPBSA-N",5473033,NA,"PDBC07045","723517","Present",NA,NA
+"7046","1(2H)-Phthalazinone, 2-[4,5-dihydro-3-(4-nitrophenyl)-5-oxo-1H-pyrazol-4-yl]-4-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1(2H)-Phthalazinone, 2-[4,5-dihydro-3-(4-nitrophenyl)-5-oxo-1H-pyrazol-4-yl]-4-phenyl-",NA,"C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)C4C(=NNC4=O)C5=CC=C(C=C5)[N+](=O)[O-]","XUWPFLFLMRZOLL-UHFFFAOYSA-N",369070,NA,"PDBC07046","640627","Present",NA,NA
+"7047","1(2H)-Phthalazinone, 4-phenyl-2-[(1,2,5,6-tetrahydro-5-oxo-1,2,4-triazin-3-yl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1(2H)-Phthalazinone, 4-phenyl-2-[(1,2,5,6-tetrahydro-5-oxo-1,2,4-triazin-3-yl)methyl]-",NA,"C1C(=O)NC(=NN1)CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4","PFBUVHUWQTUZRU-UHFFFAOYSA-N",135503323,NA,"PDBC07047","639914","Present",NA,NA
+"7048","1(2H)-Phthalazinone, 4-phenyl-2-[(2,5,6,7-tetrahydro-5-imino-7-oxo-1H-1,2,4,6-tetrazepin-3-yl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Imino-7-oxo-1,2-dihydro-1,2,4,6-tetrazepin-3-yl)methyl]-4-phenyl-phthalazin-1-one",NA,"C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CC4=NNC(=O)NC(=N4)N","ADXBCRQKFIHUKR-UHFFFAOYSA-N",135438651,NA,"PDBC07048","639915","Present",NA,NA
+"7049","1(2H)-Pyrimidinepropanoic acid,4-dihydro-2,4-dioxo-, ester with omega-methyl-alpha-hydroxypoly (oxy-1,2-ethanediyl)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Poly(oxy-1,2-ethanediyl), .alpha.-methyl-.omega.-[[3- (5...",NA,"COCCOC(=O)CCN1C=C(C(=O)NC1=O)F","LBLBUPMUZXNKSA-UHFFFAOYSA-N",342397,NA,"PDBC07049","381811","Present",NA,NA
+"7050","1(2H)-Quinolineethanol, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1(2H)-Quinolineethanol, trans-octahydro-.alpha.-(9-phena...",NA,"C1CCC2C(C1)CCCN2CC(C3=CC4=CC=CC=C4C5=CC=CC=C53)O.Cl","WGLDPHCVICKPCE-UHFFFAOYSA-N",24200896,NA,"PDBC07050","402323","Present",NA,NA
+"7051","1(4H)-Dibenzofuranone, 2,6-diacetyl-9-(acetyloxy)-4a,9b-dihydro-3,7-dihydroxy-4a-methoxy-8,9b-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1(4H)-Dibenzofuranone, 2,6-diacetyl-9-(acetyloxy)-4a,9b-...",NA,"CC1=C(C(=C2C(=C1OC(=O)C)C3(C(=C(C(=O)CC3(O2)OC)C(=O)C)O)C)C(=O)C)O","CWWAWNMPYSUDKT-UHFFFAOYSA-N",323098,NA,"PDBC07051","281904","Present",NA,NA
+"7052","1(4H)-Naphthalenone, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANQI",NA,"C1=CC=C2C(=C1)C(=N)C=C(C2=O)N.Cl","GBXFEIWAUUUQFE-UHFFFAOYSA-N",458959,NA,"PDBC07052","15013","Present",NA,NA
+"7053","1(6H)-Pyridazinecarboximidamide, 4,5-dichloro-6-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-dichloro-6-oxo-pyridazine-1-carboxamidine",NA,"C1=NN(C(=O)C(=C1Cl)Cl)C(=N)N","YAGCOWBYHDUDEG-UHFFFAOYSA-N",362217,NA,"PDBC07053","625820","Present",NA,NA
+"7054","1, (cis)-, Platinum sulfate complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pt 195",NA,"C1CCC(C(C1)[NH-])[NH-].OS(=O)(=O)O.[Pt+2]","IGQTWWNTYQYGTM-UHFFFAOYSA-N",429187,NA,"PDBC07054","250427","Present",NA,NA
+"7055","1, 1'-Decyl-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4'-Bipiperidine, 1'-decyl-, monohydrochloride",NA,"CCCCCCCCCCN1CCC(CC1)N2CCCCC2.Cl","DRWIQEOKDNJQSU-UHFFFAOYSA-N",21144609,NA,"PDBC07055","194126","Present",NA,NA
+"7056","1, 1,4-Bis(2-bromoethyl)-, salt with [R-(R*,R*)]-2,3-dihydroxybutanedioic acid (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Diazoniabicyclo[2.2.1]heptane, 1,4-bis(2-bromoethyl)...",NA,"C1C[N+]2(CC[N+]1(C2)CCBr)CCBr.C(C(C(=O)[O-])O)(C(=O)[O-])O","BAZHURLZRXXUFA-LREBCSMRSA-L",24198198,NA,"PDBC07056","289899","Present",NA,NA
+"7057","1, 1-Bromo-1,2,4-trichloro-3-nitro-4-[(phenylmethyl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Butadiene, 1-bromo-1,2,4-trichloro-3-nitro- 4-[(phen...",NA,"C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])Cl","PIJDKZLUMSPLSQ-GOOGBFEESA-N",54600890,NA,"PDBC07057","678032","Present",NA,NA
+"7058","1, 2,3-Dihydroxy-, dimethyl ester, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Cyclopentadienedicarboxylic acid, 2,3-dihydroxy-, di...",NA,"COC(=O)C1=C(C(=C(C1)C(=O)OC)O)O.[Na+]","UVSPIAHIQSVADB-UHFFFAOYSA-N",54723281,NA,"PDBC07058","632938","Present",NA,NA
+"7059","1, 2-(Bromodiphenylstannyl)-N,N,N',N'-tetramethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzenedimethanamine, 2-(bromodiphenylstannyl)-N,N,N...",NA,"CN(C)CC1=C(C(=CC=C1)CN(C)C)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Br","XZHRLZUZYYIUIY-UHFFFAOYSA-M",325476,NA,"PDBC07059","294244","Present",NA,NA
+"7060","1, 2-Amino-, platinum complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-cyclohexanediamine, platinum complex",NA,"C1CCC(C(C1)N)N.C(C(=O)[O-])(C(=O)[O-])N.[Pt+4]","PJTUCKWWEKSCSB-UHFFFAOYSA-L",24201925,NA,"PDBC07060","606092","Present",NA,NA
+"7061","1, 2-Chloro-7-[(1-oxopentyl)amino]-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridine-3-carboxylic acid, 2-chloro-7-[(1-oxop...",NA,"CCCCC(=O)NC1=NC2=NC(=C(C=C2C=C1)C(=O)OC)Cl","JUQXKZLRLDKDRU-UHFFFAOYSA-N",395721,NA,"PDBC07061","700520","Present",NA,NA
+"7062","1, 2-Chloro-8-hydroxy-6-methoxy-7-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 2-chloro-8-hydroxy-6-methoxy-7-met...",NA,"CC1=C(C=C2C(=O)C=C(C(=O)C2=C1O)Cl)OC","WQOFPCAPVZPVEL-UHFFFAOYSA-N",359532,NA,"PDBC07062","620515","Present",NA,NA
+"7063","1, 2-[(2-Fluorophenyl)methylene]-1-phenyl-, (2Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Butanedione, 2-[(2-fluorophenyl)methylene]-1-phenyl-...",NA,"CC(=O)C(=CC1=CC=CC=C1F)C(=O)C2=CC=CC=C2","IBJJYSODAGTBGJ-PTNGSMBKSA-N",5388571,NA,"PDBC07063","636961","Present",NA,NA
+"7064","1, 3-Amino-, hydrochloride (1alpha, 2alpha, 3beta)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Cyclohexanediol, 3-amino-, hydrochloride (1.alpha., ...",NA,"C1CC(C(C(C1)O)O)N.Cl","MIDIYKXNTKNGBP-PWYMXSNASA-N",355713,NA,"PDBC07064","609819","Present",NA,NA
+"7065","1, 4,4'-[Carbonylbis[imino (1-methyl-1H-pyrrole-4,2-diyl)carbonylimino(1-methyl-1H-pyrrole-4,2-diyl)carbonylimino]]bis-, tetrasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Naphthalenedisulfonic acid, 4,4'-[carbonylbis[imino ...",NA,"CN1C=C(C=C1C(=O)NC2=C3C=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=C8C=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C.[Na+]","JQOGRJZGWNMYCR-UHFFFAOYSA-N",21873164,NA,"PDBC07065","651016","Present",NA,NA
+"7066","1, 4-Bromo-1,1,2-trichloro-3-nitro-4-[(phenylmethyl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Butadiene, 4-bromo-1,1,2-trichloro-3-nitro- 4-[(phen...",NA,"C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])Br","SQFBMGHDLVIEFP-KTKRTIGZSA-N",13635959,NA,"PDBC07066","678035","Present",NA,NA
+"7067","1, 6-Hydroxy-5-[[4-[[[4-[[4-[(2-hydroxy-3,6-disulfo-1-naphthalenyl)azo]phenyl]thio] phenyl]amino]carbonyl]phenyl]azo]-, tetrasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Naphthalenedisulfonic acid, 6-hydroxy-5-[[4-[[[4-[[4...",NA,"C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)N=NC4=C5C=CC(=CC5=CC(=C4O)S(=O)(=O)O)S(=O)(=O)O)N=NC6=C(C=CC7=C6C=C(C=C7S(=O)(=O)O)S(=O)(=O)O)O","XDVFFTVEWYQOLZ-UHFFFAOYSA-N",416120,NA,"PDBC07067","76027","Present",NA,NA
+"7068","1, 7-(Benzoyloxy)-5-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 7-(benzoyloxy)-5-methoxy-",NA,"COC1=CC(=CC2=C1C(=O)C=CC2=O)OC(=O)C3=CC=CC=C3","OCYIBZJWHOGRGO-UHFFFAOYSA-N",359531,NA,"PDBC07068","620514","Present",NA,NA
+"7069","1, Acanthifolicin deriv.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Okadaic acid",NA,"CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)C=CC(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)O)O)O)C)O)O","QNDVLZJODHBUFM-IHRYTRHCSA-N",5468826,NA,"PDBC07069","677083","Present",NA,NA
+"7070","1, Hydrochloride, hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Benzoquinone-2-methoxy-5-(4-methyl-1-piperazinyl) me...",NA,"CCCCCCC=CCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)CN2CCN(CC2)C.Cl","VLKPJWYFDCWKGL-KVVVOXFISA-N",5388009,NA,"PDBC07070","630732","Present",NA,NA
+"7071","1, N'-(3-Aminopropyl)-N-(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)-N'-methyl-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Propanediamine, N'-(3-aminopropyl)-N-(9-methoxy- 5,1...",NA,"CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCN.Cl","OUWOLWQFZRNSPQ-UHFFFAOYSA-N",393665,NA,"PDBC07071","695934","Present",NA,NA
+"7072","1, N,N'-Bis(2-cyclohexylethyl)-N,N'-dimethyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Propanediamine, N,N'-bis(2-cyclohexylethyl)-N,N'-dim...",NA,"CN(CCCN(C)CCC1CCCCC1)CCC2CCCCC2.Cl","NOVFQUCSBVOZMJ-UHFFFAOYSA-N",24200736,NA,"PDBC07072","400806","Present",NA,NA
+"7073","1, N,N'-Bis(3-aminopropyl)-N,N'-bis(3-phenylpropyl)-, tetrakis(trifluoroacetate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Butanediamine, N,N'-bis(3-aminopropyl)- N,N'-bis(3-p...",NA,"C1=CC=C(C=C1)CCCN(CCCCN(CCCC2=CC=CC=C2)CCCN)CCCN.C(=O)(C(F)(F)F)O","IKSSHTWHTJVXPY-UHFFFAOYSA-N",389636,NA,"PDBC07073","685980","Present",NA,NA
+"7074","1, N,N'-Bis[2-(dimethylamino) ethyl]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Phenazinedicarboxamide, N,N'-bis[2-(dimethylamino) e...",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3C(=O)NCCN(C)C.Cl","ZPOTWELDSISZCG-UHFFFAOYSA-N",386519,NA,"PDBC07074","678918","Present",NA,NA
+"7075","1, N,N'-Bis[2-(dimethylamino) ethyl]-, trihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Acridinedicarboxamide, N,N'-bis[2-(dimethylamino) et...",NA,"CN(C)CCNC(=O)C1=CC=C(C2=NC3=CC=CC=C3C=C12)C(=O)NCCN(C)C.Cl","XSYIOQNKAJELJR-UHFFFAOYSA-N",358138,NA,"PDBC07075","617969","Present",NA,NA
+"7076","1, N,N'-Bis[5-[[4-[[[(3-amino-3-iminopropyl)amino]carbonyl]-1-methyl-1H-pyrrol-2-yl] amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzenedicarboxamide, N,N'-bis[5-[[4-[[[(3-amino- 3-...",NA,"CN1C=C(C=C1NC(=O)C2=[N+](C=C(C2)NC(=O)C3=CC(=CC=C3)C(=O)NC4=CC(=[N+](C4)C)C(=O)NC5=CC(=CN5C)C(=O)NCCC(=N)N)C)C(=O)NCCC(=N)N.Cl","NIMSGNHMAVDLPY-UHFFFAOYSA-P",366226,NA,"PDBC07076","634555","Present",NA,NA
+"7077","1, N,N'-Bis[p-[bis(2-chloroethyl)amino]benzyl]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Propanediamine, N,N'-bis[p-[bis(2-chloroethyl)amino]...",NA,"C1=CC(=CC=C1CNCCCNCC2=CC=C(C=C2)N(CCCl)CCCl)N(CCCl)CCCl.Cl","BJPYEHGIXHYUKX-UHFFFAOYSA-N",24190229,NA,"PDBC07077","103508","Present",NA,NA
+"7078","1, N-(2-Chloroethyl)-N'-(2-methoxy-9-acridinyl)-N-methyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Propanediamine, N-(2-chloroethyl)-N'-(2-methoxy-9- a...",NA,"CN(CCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","LGUSPCRJHJGPTQ-UHFFFAOYSA-N",362517,NA,"PDBC07078","626540","Present",NA,NA
+"7079","1, N-9-Acridinyl-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Benzenediamine, N-9-acridinyl-, monohydrochloride",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)N.Cl","VPURWASZOVQHLK-UHFFFAOYSA-N",24194215,NA,"PDBC07079","165707","Present",NA,NA
+"7080","1, N-[(2-Naphthalenyl)methyl]-N'-[[3-[(2-naphthalenyl)methyl]amino]propyl]-, tris(trifluoroacetate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Butanediamine, N-[(2-naphthalenyl)methyl]- N'-[[3-[(...",NA,"C1=CC=C2C=C(C=CC2=C1)CNCCCCNCCCNCC3=CC4=CC=CC=C4C=C3.C(=O)(C(F)(F)F)O","JXJKPHZVUODRJE-UHFFFAOYSA-N",391185,NA,"PDBC07080","690021","Present",NA,NA
+"7081","1, N4-(3,6-Dichloro-9-acridinyl)-N1,N1-diethyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Pentanediamine, N4-(3,6-dichloro-9-acridinyl)-N1,N1-...",NA,"CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC3=C1C=CC(=C3)Cl)Cl.Cl","XEZJIVAJQHPYRS-UHFFFAOYSA-N",54610486,NA,"PDBC07081","176480","Present",NA,NA
+"7082","1,1'(3H,3'H)-Spirobi[2,1-benzoxasilole], 3,3,3',3'- tetr...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'(3H,3'H)-Spirobi[2,1-benzoxasilole], 3,3,3',3'- tetr...",NA,NA,NA,NA,NA,"PDBC07082","618639","Present",NA,NA
+"7083","1,1',5,5',6,6',7,7'-Octamethyl-3,3'-spirobi[2,4-dioxa-3lambda4-tellurabicyclo[3.2.0]heptane]-6,6',7,7'-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1',5,5',6,6',7,7'-Octamethyl-3,3'-spirobi[2,4-dioxa-3lambda4-tellurabicyclo[3.2.0]heptane]-6,6',7,7'-tetrol",NA,"CC1(C(C2(C1(O[Te]3(O2)OC4(C(C(C4(O3)C)(C)O)(C)O)C)C)C)(C)O)O","MNYQJCSAHNJDKM-UHFFFAOYSA-N",358628,NA,"PDBC07083","618636","Present",NA,NA
+"7084","1,1'-(1,4-Dihydroquinoxaline-2,3-diylidene)diacetone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIM-0020073.P001",NA,"CC(=CC1=NC2=CC=CC=C2N=C1C=C(C)O)O","JUSXQMWQMGGLHS-XOHWUJONSA-N",135504201,NA,"PDBC07084","707056","Present",NA,NA
+"7085","1,1'-(2,6-Pyridinediyl)bis(ethanone 4-phenyl thiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-1-[6-[(Z)-C-Methyl-N-(phenylcarbamothioylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-phenylthiourea",NA,"CC(=NNC(=S)NC1=CC=CC=C1)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=CC=C3)C","MZQGSCORBLNOGN-KYGWZODQSA-N",6374206,NA,"PDBC07085","668482","Present",NA,NA
+"7086","1,1'-(4-Methyl-4-azaheptanedioyl) bis[3-(chloromethyl)-6-nitroindoline] hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(4-Methyl-4-azaheptanedioyl) bis[3-(chloromethyl)-6...",NA,"CN(CCC(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])CCl)CCC(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl.Cl","RPQNWMOEUKZBJL-UHFFFAOYSA-N",393536,NA,"PDBC07086","695591","Present",NA,NA
+"7087","1,1'-(Bromomethylene)bis(4-nitrobenzene)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Bromo-(4-nitrophenyl)methyl]-4-nitro-benzene",NA,"C1=CC(=CC=C1C(C2=CC=C(C=C2)[N+](=O)[O-])Br)[N+](=O)[O-]","DSTCKYXFMAENQF-UHFFFAOYSA-N",220844,NA,"PDBC07087","4271","Present",NA,NA
+"7088","1,1'-(Buta-1,3-diene-2,3-diyldisulfonyl)bis(2,4-dinitrobenzene)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(2,4-Dinitrophenyl)sulfonyl-1-methylene-allyl]sulfonyl-2,4-dinitro-benzene",NA,"C=C(C(=C)S(=O)(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","BBSBDQDGVXWKOT-UHFFFAOYSA-N",361138,NA,"PDBC07088","623970","Present",NA,NA
+"7089","1,1'-(Ethane-1,2-diyl)di(naphthalen-2-ol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(Ethane-1,2-diyl)di(naphthalen-2-ol)",NA,"C1=CC=C2C(=C1)C=CC(=C2CCC3=C(C=CC4=CC=CC=C43)O)O","MEMAVMFMCJQZOR-UHFFFAOYSA-N",344345,NA,"PDBC07089","401207","Present",NA,NA
+"7090","1,1'-(Heptanedioyl)bis[3-(chloromethyl)-6-nitroindoline]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(Heptanedioyl)bis[3-(chloromethyl)-6-nitroindoline]",NA,"C1C(C2=C(N1C(=O)CCCCCC(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl)C=C(C=C2)[N+](=O)[O-])CCl","ARBYAROFENWSID-UHFFFAOYSA-N",390668,NA,"PDBC07090","688299","Present",NA,NA
+"7091","1,1'-(Hexane-1,6-diyl)bis[3,3-dimethyl-1H-indole (3H)-one]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-Hexane-1,6-diylbis(3,3-dimethyl-1,3-dihydro-2H-indol-2-one)",NA,"CC1(C2=CC=CC=C2N(C1=O)CCCCCCN3C4=CC=CC=C4C(C3=O)(C)C)C","XIASOSYQSXUUBP-UHFFFAOYSA-N",370576,NA,"PDBC07091","643829","Present",NA,NA
+"7092","1,1'-(Pentanedioyl)bis[3-(chloromethyl)-6-nitroindoline]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(Pentanedioyl)bis[3-(chloromethyl)-6-nitroindoline]",NA,"C1C(C2=C(N1C(=O)CCCC(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl)C=C(C=C2)[N+](=O)[O-])CCl","YKDRKLIJZUTAAQ-UHFFFAOYSA-N",390669,NA,"PDBC07092","688300","Present",NA,NA
+"7093","1,1'-(Pyridine-2,6-diyl)bis(1H-pyrazole-3-carboxylic acid)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-Pyridine-2,6-diylbis(1H-pyrazole-3-carboxylic acid)",NA,"C1=CC(=NC(=C1)N2C=CC(=N2)C(=O)O)N3C=CC(=N3)C(=O)O","USCCKQHTFFXNJD-UHFFFAOYSA-N",383331,NA,"PDBC07093","671446","Present",NA,NA
+"7094","1,1'-(Pyridine-2,6-diylbiscarbonyl)diurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,6-N-Dicarbamoylpyridine-2,6-dicarboxamide",NA,"C1=CC(=NC(=C1)C(=O)NC(=O)N)C(=O)NC(=O)N","QFVPYSKMOJLHHH-UHFFFAOYSA-N",396441,NA,"PDBC07094","702414","Present",NA,NA
+"7095","1,1'-(p-Xylylene)bis(tetrahydrothiophene-1-ium)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(p-Xylylene)bis(tetrahydrothiophene-1-ium)",NA,"C1CC[S+](C1)CC2=CC=C(C=C2)C[S+]3CCCC3.[Cl-]","JNCRYQGXURXNRC-UHFFFAOYSA-M",378315,NA,"PDBC07095","660327","Present",NA,NA
+"7096","1,1'-Binaphthalene, 7,7'-dibromo-3,3',4,4'-tetramethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-4-(7-bromo-3,4-dimethoxy-1-naphthyl)-1,2-dimethoxy-naphthalene",NA,"COC1=C(C2=C(C=C(C=C2)Br)C(=C1)C3=CC(=C(C4=C3C=C(C=C4)Br)OC)OC)OC","DNBAPMDFBZFAQC-UHFFFAOYSA-N",380864,NA,"PDBC07096","666604","Present",NA,NA
+"7097","1,1'-Bis(methylsulfonyl)-6,6',7,7'-tetrahydro-3,3'-bi[5H-2-pyrindine]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine",NA,"CS(=O)(=O)C1=C2CCCC2=CC(=N1)C3=NC(=C4CCCC4=C3)S(=O)(=O)C","HGPXCWHRGKNNCK-UHFFFAOYSA-N",397520,NA,"PDBC07097","705818","Present",NA,NA
+"7098","1,1'-Diethyl-2,2'-cyanine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethylcyanine",NA,"CCN1C(=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[Cl-]","MHQOURYMHSSLDM-UHFFFAOYSA-M",5717105,NA,"PDBC07098","97374","Present",NA,NA
+"7099","1,1'-Ethylidenebis(2,5,11-triaza-11-hydroxydodecane-1,6,10-trione)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Hydroxy-N-[2-[[3-[2-[[5-[hydroxy(methyl)amino]-5-oxopentanoyl]amino]ethylamino]-2-methyl-3-oxopropanoyl]amino]ethyl]-N'-methylpentanediamide",NA,"CC(C(=O)NCCNC(=O)CCCC(=O)N(C)O)C(=O)NCCNC(=O)CCCC(=O)N(C)O","SAMNZTSYBSAZFU-UHFFFAOYSA-N",396681,NA,"PDBC07099","703195","Present",NA,NA
+"7100","1,1'-Methanediylbis(3-methylurea)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A038",NA,"CNC(=O)NCNC(=O)NC","ONXPTGQTDMOWEM-UHFFFAOYSA-N",370398,NA,"PDBC07100","643495","Present",NA,NA
+"7101","1,1'-Sulfonylbis(3-isothiocyanatobenzene)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isothiocyanic acid, sulfonyldi-m-phenylene ester",NA,"C1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2)N=C=S)N=C=S","ATUCPLJJYLRXIH-UHFFFAOYSA-N",284731,NA,"PDBC07101","140911","Present",NA,NA
+"7102","1,1'-Trimethylenebis(3-p-chlorophenylsulfonyl-2-methylisothiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-Trimethylenebis(3-p-chlorophenylsulfonyl-2-methylis...",NA,"CSC(=NCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)SC)NS(=O)(=O)C2=CC=C(C=C2)Cl","NIDJUXFPHBXTOF-UHFFFAOYSA-N",382843,NA,"PDBC07102","670673","Present",NA,NA
+"7103","1,1'-[(2,5-Diphenylfuran-3,4-diyl)bis(methylene)]dipiperidine--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2,5-Diphenyl-4-(piperidin-1-ylmethyl)furan-3-yl]methyl]piperidine;hydrochloride",NA,"C1CCN(CC1)CC2=C(OC(=C2CN3CCCCC3)C4=CC=CC=C4)C5=CC=CC=C5.Cl","QNDPSKWGLTYUEX-UHFFFAOYSA-N",24181275,NA,"PDBC07103","7473","Present",NA,NA
+"7104","1,1'-[Trimethylenebis(nitrilomethylidyne)]bis(2-naphthol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[(2-Hydroxynaphthalen-1-yl)methylideneamino]propyliminomethyl]naphthalen-2-ol",NA,"C1=CC=C2C(=C1)C=CC(=C2C=NCCCN=CC3=C(C=CC4=CC=CC=C43)O)O","YAZRUOQJRXLLDL-UHFFFAOYSA-N",5254937,NA,"PDBC07104","725604","Present",NA,NA
+"7105","1,1,1,10,10,10-Hexafluoro-2,9-dihydroxy-2,9-bis(trifluoromethyl)-4,7-decanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1,10,10,10-Hexafluoro-2,9-dihydroxy-2,9-bis(trifluoromethyl)-4,7-decanedione",NA,"C(CC(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O","NFXPASFVCZCJAG-UHFFFAOYSA-N",379574,NA,"PDBC07105","664262","Present",NA,NA
+"7106","1,1,1,3,3,3-Hexafluoro-2-(2-quinolinylmethyl)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1,3,3,3-Hexafluoro-2-(2-quinolinylmethyl)-2-propanol",NA,"C1=CC=C2C(=C1)C=CC(=N2)CC(C(F)(F)F)(C(F)(F)F)O","KLPMNEJGWLZZOC-UHFFFAOYSA-N",377662,NA,"PDBC07106","659243","Present",NA,NA
+"7107","1,1,1,3,3,3-Hexafluoro-2-(3-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)phenyl)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1,3,3,3-Hexafluoro-2-(3-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)phenyl)-2-propanol",NA,"COC(C1=CC=CC(=C1)C(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)C(F)(F)F","CDLBDKZLZXCQKZ-UHFFFAOYSA-N",358620,NA,"PDBC07107","618628","Present",NA,NA
+"7108","1,1,1,3,3,3-Hexafluoro-2-[2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-4,5-dihydro-3H-pyridazin-3-yl]propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1,3,3,3-Hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,5-dihydro-3H-pyridazin-3-yl]propan-2-ol",NA,"C1CC(N(N=C1)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","YUMNEBSXOBFUME-UHFFFAOYSA-N",377649,NA,"PDBC07108","659229","Present",NA,NA
+"7109","1,1,1,3,3,3-Hexafluoro-2-[6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]pyrimidin-4-yl]propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1,3,3,3-Hexafluoro-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)pyrimidin-4-yl]propan-2-ol",NA,"C1=C(N=CN=C1C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","ODRVSUSJFCGJMW-UHFFFAOYSA-N",377672,NA,"PDBC07109","659252","Present",NA,NA
+"7110","1,1,1,3,3,3-Hexafluoro-2-[[2-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-pyridyl]methyl]propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1,3,3,3-Hexafluoro-2-[[2-methyl-6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-4-yl]methyl]propan-2-ol",NA,"CC1=CC(=CC(=N1)CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O","UWHDUVSLDCSYEU-UHFFFAOYSA-N",379450,NA,"PDBC07110","663999","Present",NA,NA
+"7111","1,1,1,3,3,3-Hexafluoropropane-2,2-diol; 2-methylpropan-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1,3,3,3-Hexafluoropropane-2,2-diol; 2-methylpropan-2-amine",NA,"CC(C)(C)N.C(C(F)(F)F)(C(F)(F)F)(O)O","UBOMRTANDKUPIU-UHFFFAOYSA-N",385608,NA,"PDBC07111","676913","Present",NA,NA
+"7112","1,1,1,3,3-Pentachloro-3-(diethylphosphoryl)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1,3,3-Pentachloro-3-(diethylphosphoryl)-2-propanol",NA,"CCP(=O)(CC)C(C(C(Cl)(Cl)Cl)O)(Cl)Cl","HIYAPNNBFMVKKG-UHFFFAOYSA-N",383113,NA,"PDBC07112","671157","Present",NA,NA
+"7113","1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1-Trichloro-2-hydroxy-6-methyl-4-heptanone",NA,"CC(C)CC(=O)CC(C(Cl)(Cl)Cl)O","LXHWHFYGBOTFKX-UHFFFAOYSA-N",256296,NA,"PDBC07113","83014","Present",NA,NA
+"7114","1,1,1-Trichloro-3-(4-cinnolinyl)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1-Trichloro-3-(4-cinnolinyl)-2-propanol",NA,"C1=CC=C2C(=C1)C(=CN=N2)CC(C(Cl)(Cl)Cl)O","FHUOVMQVBLKKFO-UHFFFAOYSA-N",377607,NA,"PDBC07114","659184","Present",NA,NA
+"7115","1,1,1-Triethoxy-2-butyne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1-Triethoxy-2-butyne",NA,"CCOC(C#CC)(OCC)OCC","CFBMFWCFXFHOKD-UHFFFAOYSA-N",371777,NA,"PDBC07115","646221","Present",NA,NA
+"7116","1,1,1-Trifluoro-2-hydroxy-2-(trifluoromethyl)-7-octen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1-Trifluoro-2-hydroxy-2-(trifluoromethyl)-7-octen-4-one",NA,"C=CCCC(=O)CC(C(F)(F)F)(C(F)(F)F)O","JKZULGZFOFPAFP-UHFFFAOYSA-N",379611,NA,"PDBC07116","664315","Present",NA,NA
+"7117","1,1,1-Trifluoro-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)-4-heptanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1-Trifluoro-2-hydroxy-5,5-dimethyl-2-(trifluoromethyl)-4-heptanone oxime",NA,"CCC(C)(C)C(=NO)CC(C(F)(F)F)(C(F)(F)F)O","SJXCKFYUPNKRCI-FMQZQXMHSA-N",5917649,NA,"PDBC07117","664339","Present",NA,NA
+"7118","1,1,1-Trifluoro-2-trifluoromethyl-2,4-pentanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GS-0005",NA,"CC(CC(C(F)(F)F)(C(F)(F)F)O)O","QAJCOMPEAMJMEB-UHFFFAOYSA-N",118191,NA,"PDBC07118","659256","Present",NA,NA
+"7119","1,1,1-Trifluoro-N-(4-nitrophenyl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.587.449F",NA,"C1=CC(=CC=C1NS(=O)(=O)C(F)(F)F)[N+](=O)[O-]","DSOJFIIEMHFAGI-UHFFFAOYSA-N",394807,NA,"PDBC07119","698609","Present",NA,NA
+"7120","1,1,10,10-Tetramethoxycyclooctadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,10,10-Tetramethoxycyclooctadecane",NA,"COC1(CCCCCCCCC(CCCCCCCC1)(OC)OC)OC","ANUXZHKUXMFHJH-UHFFFAOYSA-N",380899,NA,"PDBC07120","666681","Present",NA,NA
+"7121","1,1,2,2,6,6,7,7-Octaphenyl-3,5,8,10-tetrachloro-4,9-dimethyl-1,2,6,7-tetrahydrodicyclobuta[b,i]anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9,13,18-Tetrachloro-2,11-dimethyl-6,6,7,7,15,15,16,16-octakis-phenylpentacyclo[10.6.0.03,10.05,8.014,17]octadeca-1(12),2,4,8,10,13,17-heptaene",NA,"CC1=C2C(=C(C3=C1C(=C4C(=C3Cl)C(C4(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)Cl)C)C(=C9C(=C2Cl)C(C9(C1=CC=CC=C1)C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)Cl","NDJADNLNIJOOGX-UHFFFAOYSA-N",16129815,NA,"PDBC07121","680088","Present",NA,NA
+"7122","1,1,2,2-Tetrachloro-3,4-bis(dichloromethylene)cyclobutane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclobutane, 3,3,4,4-tetrachloro- 1,2-bis(dichloromethyl...",NA,"C1(=C(Cl)Cl)C(=C(Cl)Cl)C(C1(Cl)Cl)(Cl)Cl","WNYCWKSFQDZCCY-UHFFFAOYSA-N",369620,NA,"PDBC07122","641533","Present",NA,NA
+"7123","1,1,2,2-Tetrakis(4-chlorophenyl)ethane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,2,2-Tetrakis(4-chlorophenyl)ethane-1,2-diol",NA,"C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)O)O)Cl","NSEBIZJZPRBGTF-UHFFFAOYSA-N",223157,NA,"PDBC07123","10425","Present",NA,NA
+"7124","1,1,2,4,4-Pentachloro-3-nitrobuta-1,3-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-butadiene, 1,1,2,4,4-pentachloro-3-nitro-",NA,"C(=C(Cl)Cl)(C(=C(Cl)Cl)Cl)[N+](=O)[O-]","SRMCLUOMSNNKMQ-UHFFFAOYSA-N",379884,NA,"PDBC07124","665076","Present",NA,NA
+"7125","1,1,2-Tri(1H-indol-2-yl)-1,2-ethanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,2-Tri(1H-indol-2-yl)-1,2-ethanediol",NA,"C1=CC=C2C(=C1)C=C(N2)C(C(C3=CC4=CC=CC=C4N3)(C5=CC6=CC=CC=C6N5)O)O","LXZAFHVQFKVVEB-UHFFFAOYSA-N",372682,NA,"PDBC07125","648215","Present",NA,NA
+"7126","1,1,3,3,7,7,9,9-Octamethyl-5,10,11-trithiadispiro[3.1.3^{6}.2^{4}]undecane-2,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3,3,7,7,9,9-Octamethyl-5,10,11-trithiadispiro[3.1.3^{6}.2^{4}]undecane-2,8-dione",NA,"CC1(C(=O)C(C12SC3(C(C(=O)C3(C)C)(C)C)SS2)(C)C)C","WJYASVVSSKVWSY-UHFFFAOYSA-N",393783,NA,"PDBC07126","696470","Present",NA,NA
+"7127","1,1,3,3-Tetrabenzyl-2-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3,3-Tetrabenzyl-2-cyanoguanidine",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=NC#N)N(CC3=CC=CC=C3)CC4=CC=CC=C4","ISTIRUDUMPUSKM-UHFFFAOYSA-N",370392,NA,"PDBC07127","643486","Present",NA,NA
+"7128","1,1,3,3-Tetrabutyl-1,3-bis((2,4,5-trimethoxybenzoyl)oxy)distannoxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3,3-Tetrabutyl-1,3-bis((2,4,5-trimethoxybenzoyl)oxy)distannoxane",NA,"CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1OC)OC)OC)O[Sn](CCCC)(CCCC)OC(=O)C2=CC(=C(C=C2OC)OC)OC","QWMWCVZTYBLTQM-UHFFFAOYSA-L",16683192,NA,"PDBC07128","643848","Present",NA,NA
+"7129","1,1,3,3-Tetrabutyl-1,3-bis((3,5-difluorobenzoyl)oxy)distannoxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[dibutyl-[dibutyl-(3,5-difluorobenzoyl)oxy-stannyl]oxy-stannyl] 3,5-difluorobenzoate",NA,"CCCC[Sn](CCCC)(OC(=O)C1=CC(=CC(=C1)F)F)O[Sn](CCCC)(CCCC)OC(=O)C2=CC(=CC(=C2)F)F","RIHQCXQQFQCSHW-UHFFFAOYSA-L",16683198,NA,"PDBC07129","643854","Present",NA,NA
+"7130","1,1,3,3-Tetrabutyl-2-phenylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,N',N'-Tetrabutyl-N''-phenylguanidine",NA,"CCCCN(CCCC)C(=NC1=CC=CC=C1)N(CCCC)CCCC","FQOADOJVSACSAJ-UHFFFAOYSA-N",371886,NA,"PDBC07130","646470","Present",NA,NA
+"7131","1,1,3,3-Tetraethyl-1,3-bis((3,4,5-trimethoxybenzoyl)oxy)distannoxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3,3-Tetraethyl-1,3-bis((3,4,5-trimethoxybenzoyl)oxy)distannoxane",NA,"CC[Sn](CC)(OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)O[Sn](CC)(CC)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC","NHHUXXBLMNRCPV-UHFFFAOYSA-L",16683190,NA,"PDBC07131","643846","Present",NA,NA
+"7132","1,1,3,4-Tetrabromo-4-phenylbutan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3,4-Tetrabromo-4-phenylbutan-2-one",NA,"C1=CC=C(C=C1)C(C(C(=O)C(Br)Br)Br)Br","UUUQKIQSKJSFCW-UHFFFAOYSA-N",238545,NA,"PDBC07132","42972","Present",NA,NA
+"7133","1,1,3,4-Tetramethyl-3-(1-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3,4-Tetramethyl-3-(1-methyl-1H-indol-3-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole",NA,"CC1(CC(C2=C1C3=CC=CC=C3N2C)(C)C4=CN(C5=CC=CC=C54)C)C","YWGIJEUCONVDOX-UHFFFAOYSA-N",370350,NA,"PDBC07133","643413","Present",NA,NA
+"7134","1,1,3-Tribenzyl-3-butyl-2-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3-Tribenzyl-3-butyl-2-cyanoguanidine",NA,"CCCCN(CC1=CC=CC=C1)C(=NC#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3","ZLNJXNLUGQZBNS-UHFFFAOYSA-N",373931,NA,"PDBC07134","650959","Present",NA,NA
+"7135","1,1,3-Tribromo-3-methyl-2-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3-TRIBROMO-3-METHYL-2-BUTANONE",NA,"CC(C)(C(=O)C(Br)Br)Br","HEYKFXBVIXZIFB-UHFFFAOYSA-N",219573,NA,"PDBC07135","1027","Present",NA,NA
+"7136","1,1,3-Trichloro-4,4-di(1-piperidinyl)-3-buten-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3-Trichloro-4,4-di(1-piperidinyl)-3-buten-2-one",NA,"C1CCN(CC1)C(=C(C(=O)C(Cl)Cl)Cl)N2CCCCC2","CMEPCMQSRVQRFN-UHFFFAOYSA-N",384037,NA,"PDBC07136","673148","Present",NA,NA
+"7137","1,1,3-Trichloro-4,4-di(4-morpholinyl)-3-buten-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3-Trichloro-4,4-di(4-morpholinyl)-3-buten-2-one",NA,"C1COCCN1C(=C(C(=O)C(Cl)Cl)Cl)N2CCOCC2","SRZSSNFOUGIOKB-UHFFFAOYSA-N",384038,NA,"PDBC07137","673149","Present",NA,NA
+"7138","1,1,3-Triphenylpropargyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-propyn-1-ol, 1,1,3-triphenyl- (8ci)",NA,"C1=CC=C(C=C1)C#CC(C2=CC=CC=C2)(C3=CC=CC=C3)O","VWRQCJRTHKUVNF-UHFFFAOYSA-N",137058,NA,"PDBC07138","52241","Present",NA,NA
+"7139","1,1,3-Tris(2-fluoro-2,2-dinitroethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-(fluorodinitroethyl)-N'-fluorodinitroethylurea",NA,"C(C([N+](=O)[O-])([N+](=O)[O-])F)NC(=O)N(CC([N+](=O)[O-])([N+](=O)[O-])F)CC([N+](=O)[O-])([N+](=O)[O-])F","WCVGRGIUDONGEZ-UHFFFAOYSA-N",385941,NA,"PDBC07139","677413","Present",NA,NA
+"7140","1,1,3-Tris(ethoxymethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3-Tris(ethoxymethyl)urea",NA,"CCOCNC(=O)N(COCC)COCC","KKKKKPSGWVVRLJ-UHFFFAOYSA-N",370396,NA,"PDBC07140","643492","Present",NA,NA
+"7141","1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dihydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dihydroxy-",NA,"C1CCCC(C(C(C(CC1)(CCC#N)CCC#N)O)O)(CCC#N)CCC#N","MTTUERYEXXCQBJ-UHFFFAOYSA-N",380913,NA,"PDBC07141","666696","Present",NA,NA
+"7142","1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,4,4-Cyclodecanetetrapropanenitrile, 2,3-dioxo-",NA,"C1CCCC(C(=O)C(=O)C(CC1)(CCC#N)CCC#N)(CCC#N)CCC#N","SMBRNMXWHMIBML-UHFFFAOYSA-N",380914,NA,"PDBC07142","666697","Present",NA,NA
+"7143","1,1,4,4-Cyclodecanetetrapropanoic acid, 2,3-dioxo-, tetramethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,4,4-Cyclodecanetetrapropanoic acid, 2,3-dioxo-, tetramethyl ester",NA,"COC(=O)CCC1(CCCCCCC(C(=O)C1=O)(CCC(=O)OC)CCC(=O)OC)CCC(=O)OC","GAYHADIMVMIULI-UHFFFAOYSA-N",380915,NA,"PDBC07143","666698","Present",NA,NA
+"7144","1,1,4,4-Cyclododecanetetrabutanoic acid, 2,3-dioxo-, tetramethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[1,4,4-tris(4-methoxy-4-oxo-butyl)-2,3-dioxo-cyclododecyl]butanoate",NA,"COC(=O)CCCC1(CCCCCCCCC(C(=O)C1=O)(CCCC(=O)OC)CCCC(=O)OC)CCCC(=O)OC","KCUJCGXWBSMQRQ-UHFFFAOYSA-N",380910,NA,"PDBC07144","666693","Present",NA,NA
+"7145","1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dihydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dihydroxy-",NA,"C1CCCCC(C(C(C(CCC1)(CCC#N)CCC#N)O)O)(CCC#N)CCC#N","OQQHXXWYMQPCJH-UHFFFAOYSA-N",380911,NA,"PDBC07145","666694","Present",NA,NA
+"7146","1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,4,4-Cyclododecanetetrapropanenitrile, 2,3-dioxo-",NA,"C1CCCCC(C(=O)C(=O)C(CCC1)(CCC#N)CCC#N)(CCC#N)CCC#N","CEAARCYFWJJGGE-UHFFFAOYSA-N",380908,NA,"PDBC07146","666691","Present",NA,NA
+"7147","1,1,4,4-Cyclododecanetetrapropanoic acid, 2,3-dioxo-, tetraethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[1,4,4-tris(3-ethoxy-3-oxo-propyl)-2,3-dioxo-cyclododecyl]propanoate",NA,"CCOC(=O)CCC1(CCCCCCCCC(C(=O)C1=O)(CCC(=O)OCC)CCC(=O)OCC)CCC(=O)OCC","QCUSEJIVOYKGNV-UHFFFAOYSA-N",380912,NA,"PDBC07147","666695","Present",NA,NA
+"7148","1,1,4,4-Tetramethoxy-decahydro-cyclobutadicyclopentene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,4,4-Tetramethoxy-decahydro-cyclobutadicyclopentene",NA,"COC1(CCC2C1C3C2C(CC3)(OC)OC)OC","HKCQGSNZSYGLIL-UHFFFAOYSA-N",369220,NA,"PDBC07148","640926","Present",NA,NA
+"7149","1,1,4,7,10,10-Hexaphenyl-1,4,7,10-tetraphosphadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC164876///NSC164877",NA,"C1=CC=C(C=C1)P(CCP(CCP(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CCP(C5=CC=CC=C5)C6=CC=CC=C6","TXFNTLLEAYZBGV-UHFFFAOYSA-N",90193,NA,"PDBC07149","164876///164877","Present",NA,NA
+"7150","1,1,5,5-Tetramethyl-2-thiobiuret",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QDQACASBAIWXJJ-UHFFFAOYSA-N",NA,"CN(C)C(=O)NC(=S)N(C)C","QDQACASBAIWXJJ-UHFFFAOYSA-N",3004018,NA,"PDBC07150","622657","Present",NA,NA
+"7151","1,1,5-Trimethyl-dithiobiuret",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-dimethyl-3-(methylcarbamothioyl)thiourea",NA,"CNC(=S)NC(=S)N(C)C","ZFNHECIXLFHBIG-UHFFFAOYSA-N",3004022,NA,"PDBC07151","622693","Present",NA,NA
+"7152","1,1,5-Trimethylfuro[3,4-c]pyridine-3,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cerpegin",NA,"CC1(C2=C(C(=O)N(C=C2)C)C(=O)O1)C","ANFMKCSQXDEJMT-UHFFFAOYSA-N",379803,NA,"PDBC07152","664901","Present",NA,NA
+"7153","1,1,6,6-Tetramethyl-2,7-diphenyldispiro[2.1.2.2]nonan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,6,6-Tetramethyl-2,7-diphenyldispiro[2.1.2.2]nonan-4-one",NA,"CC1(C(C12CCC3(C2=O)C(C3(C)C)C4=CC=CC=C4)C5=CC=CC=C5)C","KXLWBFPVIVAVFT-UHFFFAOYSA-N",365516,NA,"PDBC07153","633204","Present",NA,NA
+"7154","1,1,8-Trichloro-5-(cyclopropylmethyl)-9b-phenyl-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,8-Trichloro-5-(cyclopropylmethyl)-9b-phenyl-3H-azirino[1,2-d][1,4]benzodiazepin-4-one",NA,"C1CC1CN2C(=O)CN3C(C3(Cl)Cl)(C4=C2C=CC(=C4)Cl)C5=CC=CC=C5","GDBRNGAUUMNIRB-UHFFFAOYSA-N",374304,NA,"PDBC07154","651833","Present",NA,NA
+"7155","1,1,8-Trichloro-5-methyl-4-oxo-9b-phenyl-3,4,5,9b-tetrahydro-1H-azireno[1,2-d][1,4]benzodiazepin-3-yl dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,1,8-Trichloro-5-methyl-4-oxo-9b-phenyl-3H-azirino[1,2-d][1,4]benzodiazepin-3-yl) N,N-dimethylcarbamate",NA,"CN1C2=C(C=C(C=C2)Cl)C3(C(N3C(C1=O)OC(=O)N(C)C)(Cl)Cl)C4=CC=CC=C4","KKJMOKLDOLBGQK-UHFFFAOYSA-N",374301,NA,"PDBC07155","651830","Present",NA,NA
+"7156","1,1,8-Trichloro-5-methyl-9b-phenyl-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,8-Trichloro-5-methyl-9b-phenyl-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one",NA,"CN1C(=O)CN2C(C2(Cl)Cl)(C3=C1C=CC(=C3)Cl)C4=CC=CC=C4","MBDAGNNYSNKUSM-UHFFFAOYSA-N",374300,NA,"PDBC07156","651829","Present",NA,NA
+"7157","1,1,8-Trichloro-9b-phenyl-5-(2,2,2-trifluoroethyl)-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,8-Trichloro-9b-phenyl-5-(2,2,2-trifluoroethyl)-3H-azirino[1,2-d][1,4]benzodiazepin-4-one",NA,"C1C(=O)N(C2=C(C=C(C=C2)Cl)C3(N1C3(Cl)Cl)C4=CC=CC=C4)CC(F)(F)F","OUFFKFFCHBPRPT-UHFFFAOYSA-N",374302,NA,"PDBC07157","651831","Present",NA,NA
+"7158","1,1,8-Trichloro-9b-phenyl-5-(2-propynyl)-5,9b-dihydro-1H-azireno[1,2-d][1,4]benzodiazepin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,8-trichloro-9b-phenyl-5-prop-2-ynyl-3H-azirino[1,2-d][1,4]benzodiazepin-4-one",NA,"C#CCN1C(=O)CN2C(C2(Cl)Cl)(C3=C1C=CC(=C3)Cl)C4=CC=CC=C4","DRVAPCONZJRVLU-UHFFFAOYSA-N",374303,NA,"PDBC07158","651832","Present",NA,NA
+"7159","1,1-A]Quinoxalin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4- DIMETHOXY-5H-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE",NA,"COC1=C2C(=C(C=C1)OC)N3C=C4C=CC=CC4=C3C(=O)N2","GKZKCMUUCHACQA-UHFFFAOYSA-N",54612829,NA,"PDBC07159","747525","Present",NA,NA
+"7160","1,1-Bis(1,3-benzothiazol-2-yl)prop-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis(1,3-benzothiazol-2-yl)prop-2-yn-1-ol",NA,"C#CC(C1=NC2=CC=CC=C2S1)(C3=NC4=CC=CC=C4S3)O","LNWGNHLLGYUJCU-UHFFFAOYSA-N",398026,NA,"PDBC07160","707099","Present",NA,NA
+"7161","1,1-Bis(2-aminoethyl)-2-hydroxy-3-oxotriazane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AEED/NO",NA,"C(CN(CCN)[N+](=NO)[O-])N","YNRCBOXEDICOIX-CLFYSBASSA-N",135402056,NA,"PDBC07161","653048","Present",NA,NA
+"7162","1,1-Bis(2-bromophenyl)-2,2,2-trifluoroethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis(2-bromophenyl)-2,2,2-trifluoroethanol",NA,"C1=CC=C(C(=C1)C(C2=CC=CC=C2Br)(C(F)(F)F)O)Br","HWMBAASWBZYUOS-UHFFFAOYSA-N",358622,NA,"PDBC07162","618630","Present",NA,NA
+"7163","1,1-Bis(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis(2-hydroxyethyl)-2-pentadecyl-4,5-dihydro-1H-imidazol-1-ium chloride",NA,"CCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CCO.[Cl-]","XSNYFBOKNHNFTJ-UHFFFAOYSA-M",24184220,NA,"PDBC07163","33574","Present",NA,NA
+"7164","1,1-Bis(4-chlorophenyl)-2-nitroethene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(2-nitroethene-1,1-diyl)bis(4-chlorobenzene)",NA,"C1=CC(=CC=C1C(=C[N+](=O)[O-])C2=CC=C(C=C2)Cl)Cl","UJJMCRNGTXQAGK-UHFFFAOYSA-N",363695,NA,"PDBC07164","628810","Present",NA,NA
+"7165","1,1-Bis(4-chlorophenyl)naphtho[1,2-c]furan-3(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis(4-chlorophenyl)naphtho[1,2-c]furan-3(1H)-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C(OC3=O)(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","LKKCVYQQCACLJG-UHFFFAOYSA-N",362062,NA,"PDBC07165","625584","Present",NA,NA
+"7166","1,1-Bis(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-4,5-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis(4-hydroxyphenyl)-3-oxo-1,3-dihydro-2-benzofuran-4,5-dicarboxylic acid",NA,"C1=CC(=CC=C1C2(C3=C(C(=C(C=C3)C(=O)O)C(=O)O)C(=O)O2)C4=CC=C(C=C4)O)O","ZGDJEQHIAMZUEK-UHFFFAOYSA-N",276305,NA,"PDBC07166","123993","Present",NA,NA
+"7167","1,1-Bis(4-methoxyphenyl)-2-nitroethene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis(4-methoxyphenyl)-2-nitroethene",NA,"COC1=CC=C(C=C1)C(=C[N+](=O)[O-])C2=CC=C(C=C2)OC","KFFANRUOKOLBPN-UHFFFAOYSA-N",363696,NA,"PDBC07167","628811","Present",NA,NA
+"7168","1,1-Bis(allyloxy)-2-bromo-2-butene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1,1-diallyloxy-2-bromo-but-2-ene",NA,"CC=C(C(OCC=C)OCC=C)Br","HGZGFEKGYWBLPB-TWGQIWQCSA-N",5469951,NA,"PDBC07168","694682","Present",NA,NA
+"7169","1,1-Bis(chlorodifluoromethyl)-3-phenyl-1,3-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-120177",NA,"C1=CC=C(C=C1)C(CC(C(F)(F)Cl)(C(F)(F)Cl)O)O","ZGRPQOKXVFKJQN-UHFFFAOYSA-N",215057,NA,"PDBC07169","659268","Present",NA,NA
+"7170","1,1-Bis(methylsulfanyl)-2,2-diphenyl-8H-azeto[2,1-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis(methylsulfanyl)-2,2-diphenyl-8h-azeto[4,1-b]quinazoline",NA,"CSC1(C(C2=NC3=CC=CC=C3CN21)(C4=CC=CC=C4)C5=CC=CC=C5)SC","RVJDAJWAQCTALO-UHFFFAOYSA-N",397769,NA,"PDBC07170","706192","Present",NA,NA
+"7171","1,1-Bis(methylsulfanyl)-N-[6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis(methylsulfanyl)-N-[6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-yl]methanimine",NA,"CSC(=NC1=NC(N=C(O1)C2=CC=CC=C2)(C(F)(F)F)C(F)(F)F)SC","FVWVBTANFPKHGF-UHFFFAOYSA-N",401443,NA,"PDBC07171","715103","Present",NA,NA
+"7172","1,1-Bis(methylthio)cyclododecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis(methylthio)cyclododecane",NA,"CSC1(CCCCCCCCCCC1)SC","UKOGIDBXMRYCEQ-UHFFFAOYSA-N",380700,NA,"PDBC07172","666406","Present",NA,NA
+"7173","1,1-Bis(pyridin-2-ylmethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, N,N-bis[(2-pyridinyl)methyl]-2-...",NA,"C1=CC=NC(=C1)CN(CC2=CC=CC=N2)C(=S)NN=CC3=CC=CC=N3","AEEZWHXVVXFVAD-QRVIBDJDSA-N",5803652,NA,"PDBC07173","689534","Present",NA,NA
+"7174","1,1-Bis[di(propan-2-yloxy)phosphoryl]-N,N-dimethylmethanamine;trichloro(phenyl)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis[di(propan-2-yloxy)phosphoryl]-N,N-dimethylmethanamine;trichloro(phenyl)stannane",NA,"CC(C)OP(=O)(C(N(C)C)P(=O)(OC(C)C)OC(C)C)OC(C)C.C1=CC=C(C=C1)[Sn](Cl)(Cl)Cl","LAKCTDRHFWPAEW-UHFFFAOYSA-K",371347,NA,"PDBC07174","645567","Present",NA,NA
+"7175","1,1-Diamine, 3,4-dichloro-2,4-dinitro-N,N'-diphenyl-, (3E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Butadiene-1,1-diamine, 3,4-dichloro-2,4-dinitro-N,N'...",NA,"C1=CC=C(C=C1)NC(=C(C(=C([N+](=O)[O-])Cl)Cl)[N+](=O)[O-])NC2=CC=CC=C2","PAQPKOLICMDGJW-SQFISAMPSA-N",5470211,NA,"PDBC07175","698398","Present",NA,NA
+"7176","1,1-Dichloro-1-(diethylphosphoryl)-3,3-dimethyl-2-butanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dichloro-1-(diethylphosphoryl)-3,3-dimethyl-2-butanol",NA,"CCP(=O)(CC)C(C(C(C)(C)C)O)(Cl)Cl","WBCNOCBVAZZYLN-UHFFFAOYSA-N",383114,NA,"PDBC07176","671158","Present",NA,NA
+"7177","1,1-Dichloro-2,3-diphenylcyclopropane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z-1,1-Dichloro-2,3-diphenyl-cyclopropane",NA,"C1=CC=C(C=C1)C2C(C2(Cl)Cl)C3=CC=CC=C3","DJDNTZDWSNETAS-UHFFFAOYSA-N",115061,NA,"PDBC07177","699679","Present",NA,NA
+"7178","1,1-Dichloro-9b-(2-fluorophenyl)-5-methyl-8-nitro-3H-azirino[1,2-d][1,4]benzodiazepin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dichloro-9b-(2-fluorophenyl)-5-methyl-8-nitro-3H-azirino[1,2-d][1,4]benzodiazepin-4-one",NA,"CN1C(=O)CN2C(C2(Cl)Cl)(C3=C1C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4F","GIXZUZOHIARRFD-UHFFFAOYSA-N",374305,NA,"PDBC07178","651834","Present",NA,NA
+"7179","1,1-Dicyclohexyl-3-methylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiourea, N,N-dicyclohexyl-N'-methyl-",NA,"CNC(=S)N(C1CCCCC1)C2CCCCC2","FCTZHTNDEQBDAJ-UHFFFAOYSA-N",3774934,NA,"PDBC07179","174044","Present",NA,NA
+"7180","1,1-Diethoxy-2-isothiocyanatoethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK975796",NA,"CCOC(CN=C=S)OCC","HPRRRCJCXROIAC-UHFFFAOYSA-N",377608,NA,"PDBC07180","659185","Present",NA,NA
+"7181","1,1-Diethyl-3-[(E)-(2-hydroxy-5-methoxy-phenyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Diethyl-3-[(E)-(2-hydroxy-5-methoxy-phenyl)methyleneamino]thiourea",NA,"CCN(CC)C(=S)NN=CC1=C(C=CC(=C1)OC)O","VCCRJRGPJNJTDH-NTEUORMPSA-N",135484935,NA,"PDBC07181","673836","Present",NA,NA
+"7182","1,1-Diethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Diethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea",NA,"CCN(CC)C(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])O","IQMMBBBHPAXETL-MDWZMJQESA-N",135484937,NA,"PDBC07182","673837","Present",NA,NA
+"7183","1,1-Diethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Diethyl-3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]thiourea",NA,"CCN(CC)C(=S)NN=C(C)C1=CC=CC=C1O","MVEROYBQOOYJKT-GXDHUFHOSA-N",135410267,NA,"PDBC07183","641298","Present",NA,NA
+"7184","1,1-Diethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Diethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea",NA,"CCN(CC)C(=S)N=NC1=C(NC2=CC=CC=C21)O","RKVXMJSQFZAMTJ-UHFFFAOYSA-N",381665,NA,"PDBC07184","668493","Present",NA,NA
+"7185","1,1-Diethyl-3-[4-(7-hydroxy-2-oxo-chromen-3-yl)phenyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Diethyl-3-[4-(7-hydroxy-2-oxo-chromen-3-yl)phenyl]thiourea",NA,"CCN(CC)C(=S)NC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)O)OC2=O","XSAMYPJPRUQNHY-UHFFFAOYSA-N",5465901,NA,"PDBC07185","667267","Present",NA,NA
+"7186","1,1-Diethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Diethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"CCC1(N2C(=NC3=CC=CC=C32)CS1)CC","CMVFCRBJNIAVEV-UHFFFAOYSA-N",382383,NA,"PDBC07186","669941","Present",NA,NA
+"7187","1,1-Diethylphospholan-1-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Diethylphospholan-1-ium;bromide",NA,"CC[P+]1(CCCC1)CC.[Br-]","WBYKPCDVWDLZME-UHFFFAOYSA-M",357583,NA,"PDBC07187","617061","Present",NA,NA
+"7188","1,1-Dimethyl-1H,3H-thiazolo[3,4-a]imidazo[4,5-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-4-thia-2,7,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene",NA,"CC1(N2C(=NC3=C2C=CC=N3)CS1)C","PBXFJWDGCXRHRO-UHFFFAOYSA-N",368705,NA,"PDBC07188","639841","Present",NA,NA
+"7189","1,1-Dimethyl-2-(5-nitro-2-phenyl-3H-pyridazin-4-yl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,2-Dimethylhydrazinyl)-4-nitro-1-phenyl-1,6-dihydropyridazine",NA,"CN(C)NC1=C(C=NN(C1)C2=CC=CC=C2)[N+](=O)[O-]","RVCIPAQCXKNYEY-UHFFFAOYSA-N",372167,NA,"PDBC07189","647118","Present",NA,NA
+"7190","1,1-Dimethyl-2-(phenylthio)-2,3-butadienyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dimethyl-2-(phenylthio)-2,3-butadienyl acetate",NA,"CC(=O)OC(C)(C)C(=C=C)SC1=CC=CC=C1","RAKICPYDBCPJIL-UHFFFAOYSA-N",373326,NA,"PDBC07190","649470","Present",NA,NA
+"7191","1,1-Dimethyl-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole-2,3-dione, 3-(4,4-dimethyl-3-thiosemicarbazone)",NA,"CN(C)C(=S)N=NC1=C(NC2=CC=CC=C21)O","ZQNRZEOPQMUIBY-UHFFFAOYSA-N",256526,NA,"PDBC07191","83459","Present",NA,NA
+"7192","1,1-Dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"CC1(N2C(=NC3=CC=CC=C32)CS1)C","HZZJQNVSJLPFCZ-UHFFFAOYSA-N",382382,NA,"PDBC07192","669940","Present",NA,NA
+"7193","1,1-Dimethyl-4-(4-(4-morpholinyl)phenyl)-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dimethyl-4-(4-(4-morpholinyl)phenyl)-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole",NA,"CC1(C2=NC3=CC=CC=C3N2CN(CO1)C4=CC=C(C=C4)N5CCOCC5)C","JHAHMXUOSUZVOH-UHFFFAOYSA-N",374205,NA,"PDBC07193","651695","Present",NA,NA
+"7194","1,1-Dimethyl-4-phenylazepan-1-ium-4-carbonitrile;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC400480",NA,"C[N+]1(CCCC(CC1)(C#N)C2=CC=CC=C2)C.[Br-]","XCVSQCMUAVSPIT-UHFFFAOYSA-M",24200671,NA,"PDBC07194","400480","Present",NA,NA
+"7195","1,1-Dimethyl-4-phenylpiperidin-1-ium-4-carbonitrile;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC401414",NA,"C[N+]1(CCC(CC1)(C#N)C2=CC=CC=C2)C.[I-]","VTRIROHHIWNDNM-UHFFFAOYSA-M",24200816,NA,"PDBC07195","401414","Present",NA,NA
+"7196","1,1-Dimethyl-5-(2-naphthalenyl)dithiobiuret",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-dimethyl-5-(2-naphthalenyl)dithiobiuret",NA,"CN(C)C(=S)NC(=S)NC1=CC2=CC=CC=C2C=C1","VKRQERUBXPLFCD-UHFFFAOYSA-N",3004012,NA,"PDBC07196","622596","Present",NA,NA
+"7197","1,1-Dimethylprop-2-ynyl 2-diazo-3-oxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-1-[(2-methylbut-3-yn-2-yl)oxy]-3-oxobut-1-en-1-olate",NA,"CC(=O)C(=[N+]=[N-])C(=O)OC(C)(C)C#C","RLPJUVHWUUICOK-UHFFFAOYSA-N",379012,NA,"PDBC07197","662777","Present",NA,NA
+"7198","1,1-Dioxido-1,5-benzothiazepin-4-yl methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-1,5-benzothiazepine-1,1-dioxide",NA,"COC1=NC2=CC=CC=C2S(=O)(=O)C=C1","RMBDJWKSEQLZLA-UHFFFAOYSA-N",358940,NA,"PDBC07198","619102","Present",NA,NA
+"7199","1,1-Dioxido-2,3-dihydro-1,2-benzisothiazol-3-yl 2-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dioxido-2,3-dihydro-1,2-benzisothiazol-3-yl 2-methylbenzenesulfonate",NA,"CC1=CC=CC=C1S(=O)(=O)OC2C3=CC=CC=C3S(=O)(=O)N2","KKDFWTGOOLHBNV-UHFFFAOYSA-N",248881,NA,"PDBC07199","66426","Present",NA,NA
+"7200","1,1-Dioxido-2-phenyl-1-benzothiophen-3-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dioxido-2-phenyl-1-benzothiophen-3-yl acetate",NA,"CC(=O)OC1=C(S(=O)(=O)C2=CC=CC=C21)C3=CC=CC=C3","ADMVFOOSXYDQGD-UHFFFAOYSA-N",387199,NA,"PDBC07200","680741","Present",NA,NA
+"7201","1,1-Dioxo-1,2,5-thiadiazolidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,5-Thiadiazolidin-3-one,  1,1-dioxide",NA,"C1C(=O)NS(=O)(=O)N1","JSZAZZQHDRHICK-UHFFFAOYSA-N",372649,NA,"PDBC07201","648146","Present",NA,NA
+"7202","1,1-Dioxo-2-(3-phenoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Phenoxyphenyl)-3-phenyl-1,3-thiazolidin-4-one 1,1-dioxide",NA,"C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=CC=C4","SLOTXYGXLAYLRH-UHFFFAOYSA-N",401411,NA,"PDBC07202","715063","Present",NA,NA
+"7203","1,1-Dioxo-2-phenyl-1-benzothiophen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-1-benzothiophene-3-ol 1,1-dioxide",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2(=O)=O)O","BKOLGSIXTJNDBS-UHFFFAOYSA-N",387198,NA,"PDBC07203","680740","Present",NA,NA
+"7204","1,1-Dioxo-4H-thieno[3,2-b][1,4]thiazine-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-4H-thieno[3,2-b]-1,4-thiazine 1,1-dioxide",NA,"C1=CSC2=C1S(=O)(=O)C(=CN2)C#N","DOFCSXFEAZQTQH-UHFFFAOYSA-N",392827,NA,"PDBC07204","693804","Present",NA,NA
+"7205","1,1-Dioxo-N,2-diphenyl-3H-1,2-benzothiazol-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dioxo-N,2-diphenyl-3H-1,2-benzothiazol-3-amine",NA,"C1=CC=C(C=C1)NC2C3=CC=CC=C3S(=O)(=O)N2C4=CC=CC=C4","VXCHCAXOIAGERL-UHFFFAOYSA-N",385096,NA,"PDBC07205","676031","Present",NA,NA
+"7206","1,1-Diphenyl-2-(3-pyridinyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_002852",NA,"C1=CC=C(C=C1)C(CC2=CN=CC=C2)(C3=CC=CC=C3)O","ISHRKNDRIGDTBK-UHFFFAOYSA-N",238376,NA,"PDBC07206","42708","Present",NA,NA
+"7207","1,1-Diphenyl-2-(4-nitrophenyl)-1,2-dihydro-3H-2a,8-diazacyclobuta[b]naphthalen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrophenyl)-2,2-diphenyl-1h-azeto[4,1-b]quinazolin-8-one",NA,"C1=CC=C(C=C1)C2(C(N3C2=NC4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6","DJGZHXCAORGNPH-UHFFFAOYSA-N",397770,NA,"PDBC07207","706193","Present",NA,NA
+"7208","1,1-Diphenyl-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Diphenylcarbamoyl)amino]-1,3,4-thiadiazole-2-sulfonamide",NA,"C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=NN=C(S3)S(=O)(=O)N","AKNQQMWAXRCKIA-UHFFFAOYSA-N",396504,NA,"PDBC07208","702689","Present",NA,NA
+"7209","1,1-Diphenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Diphenyl-3-[4-[(4-sulfamoylphenyl)sulfamoyl]phenyl]urea",NA,"C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)S(=O)(=O)N","KVPJTUZDUWRZHQ-UHFFFAOYSA-N",397554,NA,"PDBC07209","705874","Present",NA,NA
+"7210","1,1-Diphenylbutane-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"023D945",NA,"C1=CC=C(C=C1)C(CCCO)(C2=CC=CC=C2)O","FMSXBGXFTZSEAU-UHFFFAOYSA-N",96679,NA,"PDBC07210","85870","Present",NA,NA
+"7211","1,1-Dipropyl-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dipropyl-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,"CCCN(CCC)C(=S)NN=CC1=CC=CC=N1","ARFYQGPGBDRRSP-RVDMUPIBSA-N",9554743,NA,"PDBC07211","667870","Present",NA,NA
+"7212","1,1-bis(4-hydroxyphenyl)-2-ferrocenyl-but-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-bis(4-hydroxyphenyl)-2-ferrocenyl-but-1-ene",NA,NA,NA,NA,NA,"PDBC07212","748141","Present",NA,NA
+"7213","1,1-bis(p-hydroxyphenyl)-2-ferrocenyl-5-hydroxy-pent-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-bis(p-hydroxyphenyl)-2-ferrocenyl-5-hydroxy-pent-1-ene",NA,NA,NA,NA,NA,"PDBC07213","775548","Present",NA,NA
+"7214","1,1-dimethyl-3-[?]yl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-dimethyl-3-[?]yl-urea",NA,"CN(C)C(=O)NC1=CC2=C3C(=C1)CCCN3CCC2","UIFZYBLZIJEBCT-UHFFFAOYSA-N",377664,NA,"PDBC07214","659245","Present",NA,NA
+"7215","1,1-dimethylethyl methyl diester, (z, e)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-dimethylethyl methyl diester, (z, e)",NA,"CC(C)(C)OC(=O)C=CC(=CSC1=CC=CC=C1)C(=O)OC","YXGNXJVHYJIRTR-MRBUWEIXSA-N",5386766,NA,"PDBC07215","617603","Present",NA,NA
+"7216","1,10-Dimethoxybenzo[c][1,2]benzodithiine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,10-Dimethoxybenzo[c][1,2]benzodithiine",NA,"COC1=C2C(=CC=C1)SSC3=CC=CC(=C32)OC","SQTYIYFPTCTKIO-UHFFFAOYSA-N",400580,NA,"PDBC07216","712703","Present",NA,NA
+"7217","1,10-Dimethyl-1,3a,4,10b-tetrahydro-3H-isoxazolo[3',4':3,4]pyrrolo[1,2-a]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Isoxazolo[3',4':3,4]pyrrolo[1,2-a]indole,  3,3a,4,10b...",NA,"CC1=C2C3C(CN2C4=CC=CC=C14)CON3C","RCJBKGVIIPIVRD-UHFFFAOYSA-N",372529,NA,"PDBC07217","647708","Present",NA,NA
+"7218","1,10-Dimethyl-4-(methylthio)-3-phenyl-1,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,10-Dimethyl-4-(methylthio)-3-phenyl-1,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine",NA,"CN1C2=CC=CC=C2N=C(C3=C1N(N=C3C4=CC=CC=C4)C)SC","WZMNFVIYQRHNTJ-UHFFFAOYSA-N",383801,NA,"PDBC07218","672304","Present",NA,NA
+"7219","1,10-Dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]pentaphene-16,17-diyl)bis (azanediyl)dianthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(5,10-dioxo-5,10-dihydroanthra[9,1,2-cde]benzo[rst]...",NA,"C1=CC=C2C(=C1)C3=CC(=C4C5=C(C=CC(=C35)C2=O)C6=C7C4=C(C=C8C7=C(C=C6)C(=O)C9=CC=CC=C98)NC1=CC=CC2=C1C(=O)C1=CC=CC=C1C2=O)NC1=CC=CC2=C1C(=O)C1=CC=CC=C1C2=O","UGSQFDNHGAUKMD-UHFFFAOYSA-N",16129644,NA,"PDBC07219","23128","Present",NA,NA
+"7220","1,10-Diphenyl-1,10-cyclooctadecanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,10-Diphenyl-1,10-cyclooctadecanediol",NA,"C1CCCCC(CCCCCCCCC(CCC1)(C2=CC=CC=C2)O)(C3=CC=CC=C3)O","SPYDTSUWTZXBSX-UHFFFAOYSA-N",380900,NA,"PDBC07220","666682","Present",NA,NA
+"7221","1,10-Phenanthroline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthroline hydrochloride",NA,"C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.Cl","QPXDKQBBJCTNOY-UHFFFAOYSA-N",73350,NA,"PDBC07221","4265","Present",NA,NA
+"7222","1,10-Phenanthroline-5,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,10-Phenanthroline-5,6-dione",NA,"C1=CC2=C(C3=C(C=CC=N3)C(=O)C2=O)N=C1","KCALAFIVPCAXJI-UHFFFAOYSA-N",72810,NA,"PDBC07222","346882","Present",NA,NA
+"7223","1,10-Phenanthroline;rhodium(3+);chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,10-Phenanthroline;rhodium(3+);chloride",NA,"C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Rh+3]","FLBDXHZEHVHCEI-UHFFFAOYSA-M",24202033,NA,"PDBC07223","619183","Present",NA,NA
+"7224","1,10-Phenanthrolinium[tetrachloro-1,10 -phenanthrolineru...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,10-Phenanthrolinium[tetrachloro-1,10 -phenanthrolineru...",NA,NA,NA,NA,NA,"PDBC07224","630123","Present",NA,NA
+"7225","1,10-Trioxa-4,13-diazacyclopentadecanedichloroplatinum-(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7,10-Trioxa-4,13-diazacyclopentadecanedichloroplatinum...",NA,"C1C[OH+]CCNCC[OH+]CC[OH+]CCN1.[Cl-].[Pt+4]","JUOAUCGYUAAHIH-UHFFFAOYSA-P",54608067,NA,"PDBC07225","632609","Present",NA,NA
+"7226","1,10-Trioxa-4,13-diazacyclopentadecanedihydroxoplatinum-(IV)dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7,10-Trioxa-4,13-diazacyclopentadecanedihydroxoplatinu...",NA,"C1C[OH+]CCNCC[OH+]CC[OH+]CCN1.O.[Cl-].[Pt+4]","YKVUNLDWIKNYFY-UHFFFAOYSA-P",54608068,NA,"PDBC07226","632611","Present",NA,NA
+"7227","1,11,12,13,14,14-Hexachloro-6-triphenylstannyl-6-azatetracyclo[9.2.1.02,10.04,8]tetradec-12-ene-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,11,12,13,14,14-Hexachloro-6-triphenylstannyl-6-azatetracyclo[9.2.1.02,10.04,8]tetradec-12-ene-5,7-dione",NA,"C1C2C(CC3C1C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)N(C2=O)[Sn](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","QMXPFFBRRUJWPN-UHFFFAOYSA-M",269110,NA,"PDBC07227","109682","Present",NA,NA
+"7228","1,11-Diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,11-Diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-ol",NA,"C1CC2CC(C3=C(CCN(C1)C2)C4=CC=CC=C4N3)O","RKGINSSVMLCQKI-UHFFFAOYSA-N",393309,NA,"PDBC07228","694974","Present",NA,NA
+"7229","1,11-Dimethyl-1H-pyrazolo[4,3-c][1,5]benzodiazocine-4,10(5H,11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,11-Dimethyl-1H-pyrazolo[4,3-c][1,5]benzodiazocine-4,10(5H,11H)-dione",NA,"CN1C2=C(C=NN2C)C(=O)NC3=CC=CC=C3C1=O","GFFLNUURJBUYHP-UHFFFAOYSA-N",362133,NA,"PDBC07229","625709","Present",NA,NA
+"7230","1,11-Dimethyl-4-(2-morpholin-4-ylethyl)-4-azatricyclo[5.2.2.02,6]undecane-3,5,8-trione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,9-dimethyl-2-[2-(morpholin-4-yl)-ethyl]-4,7-ethano-1H-...",NA,"CC1CC2(CC(=O)C1C3C2C(=O)N(C3=O)CCN4CCOCC4)C.Cl","BFZTWSFITXTXQF-UHFFFAOYSA-N",24205637,NA,"PDBC07230","736303","Present",NA,NA
+"7231","1,12-Dipropyl-2,6,7,11-tetramethoxy-4,9-dihydroxyperylene-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,12-Dipropyl-2,6,7,11-tetramethoxy-4,9-dihydroxyperylene-3,10-dione",NA,"CCCC1=C2C3=C(C(=C(C4=C3C(=C5C2=C(C(=O)C=C5OC)C(=C1OC)O)C(=CC4=O)OC)O)OC)CCC","ZLOIRWUYTFCIAW-UHFFFAOYSA-N",3701764,NA,"PDBC07231","693561","Present",NA,NA
+"7232","1,13,14-Tetrakis(p-tolyl)-15-thiatetracyclo[10.2.1.02,110 .4,9]pentadeca-4,6,8,13-tetraene-3,10-dione S-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,12,13,14-Tetrakis(p-tolyl)-15-thiatetracyclo[10.2.1.02...",NA,"CC1=CC=C(C=C1)C2=C(C3(C4C(C2(S3=O)C5=CC=C(C=C5)C)C(=O)C6=CC=CC=C6C4=O)C7=CC=C(C=C7)C)C8=CC=C(C=C8)C","MGXHAKKVALRCIU-UHFFFAOYSA-N",24205272,NA,"PDBC07232","734878","Present",NA,NA
+"7233","1,13-Azo-6H-2,5,9,12-benzotetrathiacyclopentadecin, 3,4,7,8,10,11-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,9,12-Tetrathia-20,21-diazatricyclo[11.6.2.014,19]henicosa-1(20),13(21),14,16,18-pentaene",NA,"C1CSCCSC2=NN=C(C3=CC=CC=C32)SCCSC1","MUJRDKQOTLHNFE-UHFFFAOYSA-N",382159,NA,"PDBC07233","669607","Present",NA,NA
+"7234","1,13-Diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;2-hydroxy-2-phenylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,13-Diethyl-10-methyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol;2-hydroxy-2-phenylacetic acid",NA,"CCC1C2CC3=C(C1(CCN2C)CC)C=C(C=C3)O.C1=CC=C(C=C1)C(C(=O)O)O","LFCDVWUIVQLIDW-UHFFFAOYSA-N",266438,NA,"PDBC07234","104154","Present",NA,NA
+"7235","1,13-Dioxacyclotetracosane-2,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NZFJRMSIUKQTOC-UHFFFAOYSA-N",NA,"C1CCCCCOC(=O)CCCCCCCCCCOC(=O)CCCC1","NZFJRMSIUKQTOC-UHFFFAOYSA-N",364911,NA,"PDBC07235","631799","Present",NA,NA
+"7236","1,14-Dibenzoylcardiopetaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,14-Dibenzoylcardiopetaline",NA,"CCN1CC2(CCC(C34C2CC(C31)C5(CCC6CC4C5C6OCC7=CC=CC=C7)O)OCC8=CC=CC=C8)C","MMQFJHNBGAFZRG-GCBWMSRXSA-N",6712178,NA,"PDBC07236","658004","Present",NA,NA
+"7237","1,15,17,17-Tetra(1-aziridinyl)-2,5,8,11,14-pentaoxa-16,18,19-triaza-1lambda~5~,15lambda~5~,17lambda~5~-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,15,17,17-Tetrakis(aziridin-1-yl)-2,5,8,11,14-pentaoxa-16,18,19-triaza-1lambda5,15lambda5,17lambda5-triphosphabicyclo[13.3.1]nonadeca-1(19),15,17-triene",NA,"C1CN1P2(=NP3(=NP(=N2)(OCCOCCOCCOCCO3)N4CC4)N5CC5)N6CC6","BBNBPOLLQVUEKH-UHFFFAOYSA-N",388208,NA,"PDBC07237","682802","Present",NA,NA
+"7238","1,17beta-Triacetoxy-3-methylestra-1,3,5(10)-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,17.beta.-Triacetoxy-3-methylestra-1,3,5(10)-triene",NA,"CC1=CC(=C2C3CCC4(C(C3CCC2=C1OC(=O)C)CCC4OC(=O)C)C)OC(=O)C","YLHBMGOWYGSWKI-CWXCUBLKSA-N",386119,NA,"PDBC07238","677751","Present",NA,NA
+"7239","1,17beta-Triacetoxy-4-methylestra-1,3,5(10)-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,17.beta.-Triacetoxy-4-methylestra-1,3,5(10)-triene",NA,"CC1=C2CCC3C(C2=C(C=C1OC(=O)C)OC(=O)C)CCC4(C3CCC4OC(=O)C)C","LAUVHTWXNNJJDJ-PPIKLBLRSA-N",386118,NA,"PDBC07239","677750","Present",NA,NA
+"7240","1,2 Benzo-8-(1-hydroxy-2-methylamino propane)-3-phenoxazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2 Benzo-8-(1-hydroxy-2-methylamino propane)-3-phenoxazone",NA,"CC(C(C1=CC2=C(C=C1)OC3=CC(=O)C4=CC=CC=C4C3=N2)O)NC","BWHXJQNOJRJGNB-UHFFFAOYSA-N",400530,NA,"PDBC07240","712572","Present",NA,NA
+"7241","1,2'-(3,5,6-Trimethyl-p-benzoquinone)]ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis[2,2'-(3,5,6-trimethyl-p-benzoquinone)]ethane",NA,"CC1=C(C(=O)C(=C(C1=O)C)C(C)C2=C(C(=O)C(=C(C2=O)C)C)C)C","LSUOWVPYLVRBHX-UHFFFAOYSA-N",45028336,NA,"PDBC07241","742248","Present",NA,NA
+"7242","1,2'-Spirobiindane-1',3'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2'-Spirobiindane-1',3'-dione",NA,"C1CC2(C3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O","SVURPRPILSVOQG-UHFFFAOYSA-N",360665,NA,"PDBC07242","622983","Present",NA,NA
+"7243","1,2,2,3,3-Pentacyanocyclopropanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,2,3,3-Pentacyanocyclopropanecarboxamide",NA,"C(#N)C1(C(C1(C#N)C(=O)N)(C#N)C#N)C#N","HNSXQFFRUCIHGN-UHFFFAOYSA-N",394323,NA,"PDBC07243","697692","Present",NA,NA
+"7244","1,2,3,10-Tetrahydrocyclopenta[c][1,8]phenanthrolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Cyclopenta[c][1,8]phenanthrolin-6-one, 5,7,8,9-tetrah...",NA,"C1CC2=C(C1)C(=O)NC3=C2C=CC4=C3C=CN=C4","MXLQFLFNRRWURU-UHFFFAOYSA-N",319904,NA,"PDBC07244","265959","Present",NA,NA
+"7245","1,2,3,3,4,5,6,6,7,8,9,9-Dodecachlorocyclopenta[e]-as-indacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,3,4,5,6,6,7,8,9,9-Dodecachlorocyclopenta[e]-as-indacene",NA,"C12=C3C(=C4C(=C1C(C(=C2Cl)Cl)(Cl)Cl)C(=C(C4(Cl)Cl)Cl)Cl)C(=C(C3(Cl)Cl)Cl)Cl","QTVPOBBIHPCNRO-UHFFFAOYSA-N",373771,NA,"PDBC07245","650733","Present",NA,NA
+"7246","1,2,3,3a,4,4a,9,9a,10,10Aalpha-Decahydro-3beta,4alpha,10alpha-triacetoxy-9aalpha-(acetoxymethyl)-1beta-(benzoyloxy)-2beta,4aalpha,6-trimethylcyclopenta[b]fluorene-3abeta,5-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2R,3R,3As,4R,4aR,9aR,10R,10aR)-3,4,10-triacetyloxy-9a-(acetyloxymethyl)-3a,5-dihydroxy-2,4a,6-trimethyl-2,3,4,9,10,10a-hexahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate",NA,"CC1C(C2C(C3(CC4=C(C3(C(C2(C1OC(=O)C)O)OC(=O)C)C)C(=C(C=C4)C)O)COC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5","YAOAPRDDGPBSKP-GTFMBRODSA-N",390630,NA,"PDBC07246","688232","Present",NA,NA
+"7247","1,2,3,3a,4,5,6,10c-Octahydrocyclopenta[c]carbazole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,3a,4,5,6,10c-Octahydrocyclopenta[c]carbazole-4-carboxylic acid",NA,"C1CC2C(C1)C3=C(CC2C(=O)O)NC4=CC=CC=C43","KLONMZIUAZJRTF-UHFFFAOYSA-N",373650,NA,"PDBC07247","650370","Present",NA,NA
+"7248","1,2,3,4,4a,5,10,10a-Octahydropyrazino[2,3-b]quinoxaline-2,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4,4a,5,10,10a-Octahydropyrazino[2,3-b]quinoxaline-2,3-diol",NA,"C1=CC=C2C(=C1)NC3C(N2)NC(C(N3)O)O","SYZXURCOZMCEHB-UHFFFAOYSA-N",381081,NA,"PDBC07248","667233","Present",NA,NA
+"7249","1,2,3,4,5,5a,6,7,8,9-Decahydro-12H-acridino[10',4a':1,2]imidazo[4,5-b]phenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,13,17-Tetrazaheptacyclo[15.12.0.01,25.03,16.05,14.07,12.018,23]nonacosa-3,5,7,9,11,13,15,18(23)-octaene",NA,"C1CCC23C(C1)CC4=C(N2C5=CC6=NC7=CC=CC=C7N=C6C=C5N3)CCCC4","BSJLSFWYKYFOKC-UHFFFAOYSA-N",378784,NA,"PDBC07249","661960","Present",NA,NA
+"7250","1,2,3,4,5,6,7,8,11,12,13,14,15,16,17,18,21,22,23,24,25,26,27,28-Tetracosahydrocyclodeca[b]dicyclodeca[5,6]pyrazino[2,3-f:2,3-h]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,14,17,28,31,42-Hexazaheptacyclo[28.12.0.02,15.04,13.016,29.018,27.032,41]dotetraconta-1(42),2,4(13),14,16,18(27),28,30,32(41)-nonaene",NA,"C1CCCCC2=C(CCC1)N=C3C4=NC5=C(CCCCCCCC5)N=C4C6=NC7=C(CCCCCCCC7)N=C6C3=N2","RFMOIAFKMSHPDR-UHFFFAOYSA-N",363969,NA,"PDBC07250","629580","Present",NA,NA
+"7251","1,2,3,4,6-Pentagalloyl glucose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta-Penta-O-galloyl-D-glucose",NA,"C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O","QJYNZEYHSMRWBK-UHFFFAOYSA-N",374874,NA,"PDBC07251","653410","Present",NA,NA
+"7252","1,2,3,4-Cyclobutanetetracarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC131453",NA,"C1(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O","CURBACXRQKTCKZ-UHFFFAOYSA-N",266034,NA,"PDBC07252","131453","Present",NA,NA
+"7253","1,2,3,4-Tetrafluoro-5H-benzimidazo[1,2-a][3,1]benzothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4-Tetrafluoro-5H-benzimidazo[1,2-a][3,1]benzothiazine",NA,"C1C2=C(C(=C(C(=C2F)F)F)F)N3C4=CC=CC=C4N=C3S1","KVSQKCGNXBDOJA-UHFFFAOYSA-N",383502,NA,"PDBC07253","671887","Present",NA,NA
+"7254","1,2,3,4-Tetrahydro-2,4-dioxo-6-methyl-N-[1-(hydroxymethyl)-2-[[(methylsulfinyl)methyl]sulfinyl]ethyl]-5-pyrimidineacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenamide, N-[1-(hydroxymethyl)-2-[[(methylsulfinyl)...",NA,"CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CS(=O)C","ZIMCIWWBWLSQCN-ONEGZZNKSA-N",6066399,NA,"PDBC07254","251819","Present",NA,NA
+"7255","1,2,3,4-Tetrahydronaphthalene-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrahydronaphthal",NA,"C1CC(C2=CC=CC=C2C1)C=O","ZXDOJLXKYNWBMK-UHFFFAOYSA-N",366956,NA,"PDBC07255","636118","Present",NA,NA
+"7256","1,2,3,4-Tetrahydropyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL468855",NA,"C1CN2C(=NC3=CC=CC=C32)CN1","CVGPZQMGLKRVJV-UHFFFAOYSA-N",395901,NA,"PDBC07256","700996","Present",NA,NA
+"7257","1,2,3,4-Tetrahydropyrimido[1,6-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4-Tetrahydropyrimido[1,6-a]benzimidazole",NA,"C1CNCN2C1=NC3=CC=CC=C32","SPYWPBUKSUQXDS-UHFFFAOYSA-N",395904,NA,"PDBC07257","700999","Present",NA,NA
+"7258","1,2,3,4-Tetrahydroquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KSC174Q0B",NA,"C1CC2=C(C(=CC=C2)O)NC1","WYKWUPMZBGOFOV-UHFFFAOYSA-N",241490,NA,"PDBC07258","48890","Present",NA,NA
+"7259","1,2,3,4-Tetrahydroquinoxalin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"0199AC",NA,"C1CNC2=C(N1)C=CC(=C2)N","HNWOXIYAKHJJIM-UHFFFAOYSA-N",241506,NA,"PDBC07259","48956","Present",NA,NA
+"7260","1,2,3,4-Tetramethoxy-5-methyl-6-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4-Tetramethoxy-5-methyl-6-(3,7,11-trimethyl-2,6,10-dodecatrienyl)benzene",NA,"CC1=C(C(=C(C(=C1OC)OC)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)C","XUKZWFXRDDPNAW-XHGFWWIISA-N",5469373,NA,"PDBC07260","687146","Present",NA,NA
+"7261","1,2,3,4-Tetramethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4-Tetramethoxy-5-methyl-6-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]benzene",NA,"CC1=C(C(=C(C(=C1OC)OC)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","XCLJKAVPZDYTBX-BLFWJMSPSA-N",5469372,NA,"PDBC07261","687145","Present",NA,NA
+"7262","1,2,3,4-Tetramethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4-Tetramethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]benzene",NA,"CC1=C(C(=C(C(=C1OC)OC)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","HNCIOUSIAIAAHK-CEOXUGQOSA-N",5469374,NA,"PDBC07262","687147","Present",NA,NA
+"7263","1,2,3,4-Tetramethylcyclobutane-1,2,3,4-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4-Tetramethylcyclobutane-1,2,3,4-tetrol",NA,"CC1(C(C(C1(C)O)(C)O)(C)O)O","JLNCKMHGDFDWBC-UHFFFAOYSA-N",357622,NA,"PDBC07263","617146","Present",NA,NA
+"7264","1,2,3,5-Benzothiatriazepine, 8-chloro-2,3-dihydro-7-methyl-4-(4-methylphenyl)-, 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-7-methyl-4-(p-tolyl)-2,3-dihydro-1$l^{6},2,3,5-benzothiatriazepine 1,1-dioxide",NA,"CC1=CC=C(C=C1)C2=NC3=C(C=C(C(=C3)C)Cl)S(=O)(=O)NN2","MJJLUOFZNQJCAN-UHFFFAOYSA-N",384055,NA,"PDBC07264","673180","Present",NA,NA
+"7265","1,2,3,5-Tetrachloro-4,6-bis(chloromethyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8030AF",NA,"C(C1=C(C(=C(C(=C1Cl)Cl)Cl)CCl)Cl)Cl","YDNRGDROSRCQRU-UHFFFAOYSA-N",70809,NA,"PDBC07265","139126","Present",NA,NA
+"7266","1,2,3,6-Tetramethoxyphenanthro[2,3-d][1,3]dioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,6-Tetramethoxyphenanthro[2,3-d][1,3]dioxole",NA,"COC1=CC2=CC(=C3C=C4C(=CC3=C2C(=C1OC)OC)OCO4)OC","VEMAQVIELLSCKY-UHFFFAOYSA-N",372801,NA,"PDBC07266","648424","Present",NA,NA
+"7267","1,2,3,8-Tetrabromo-5,6-dichloroacenaphthylene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,8-Tetrabromo-5,6-dichloroacenaphthylene",NA,"C1=C(C2=C3C(=C1Br)C(=C(C3=C(C=C2Cl)Br)Br)Br)Cl","VVKJNAVPBDWOPB-UHFFFAOYSA-N",393213,NA,"PDBC07267","694701","Present",NA,NA
+"7268","1,2,3,9-Tetrahydropyrrolo[2,1-b]quinazolin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vasicine",NA,"C1CN2CC3=CC=CC=C3N=C2C1O","YIICVSCAKJMMDJ-UHFFFAOYSA-N",72610,NA,"PDBC07268","685523","Present",NA,NA
+"7269","1,2,3-Benzodithiazol-4-ylidene(ethyl)oxidanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Benzodithiazol-4-ylidene(ethyl)oxidanium;chloride",NA,"CC[O+]=C1C=CC=C2C1=NSS2.[Cl-]","BGRFWJPKIABOJD-UHFFFAOYSA-M",359770,NA,"PDBC07269","621341","Present",NA,NA
+"7270","1,2,3-Benzodithiazol-4-ylidene(methyl)oxidanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Benzodithiazol-4-ylidene(methyl)oxidanium;chloride",NA,"C[O+]=C1C=CC=C2C1=NSS2.[Cl-]","TZZYYMNTLSMEBH-UHFFFAOYSA-M",359772,NA,"PDBC07270","621342","Present",NA,NA
+"7271","1,2,3-Benzotriazin-4-yl methyl sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-830/13217005",NA,"CSC1=NN=NC2=CC=CC=C21","BEZAACQRPPJFMJ-UHFFFAOYSA-N",226882,NA,"PDBC07271","17809","Present",NA,NA
+"7272","1,2,3-Tribenzylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Tribenzylguanidine",NA,"C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)NCC3=CC=CC=C3","CRQXNVPOHIITIU-UHFFFAOYSA-N",33144,NA,"PDBC07272","20644","Present",NA,NA
+"7273","1,2,3-Tribenzyloxy-5-[(4-methoxyphenyl)sulfanylmethyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Tribenzyloxy-5-[(4-methoxyphenyl)sulfanylmethyl]benzene",NA,"COC1=CC=C(C=C1)SCC2=CC(=C(C(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","YYTRAZJQTXGLGY-UHFFFAOYSA-N",384132,NA,"PDBC07273","673419","Present",NA,NA
+"7274","1,2,3-Trichloro-4,6-dinitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vancide pb",NA,"C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)Cl)Cl)[N+](=O)[O-]","WUMOEIUPWHYXBM-UHFFFAOYSA-N",22875,NA,"PDBC07274","68092","Present",NA,NA
+"7275","1,2,3-Triethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Triethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC07275","664860","Present",NA,NA
+"7276","1,2,3-Trimethoxy-5-(((4-methoxybenzyl)thio)methyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Trimethoxy-5-(((4-methoxybenzyl)thio)methyl)benzene",NA,"COC1=CC=C(C=C1)CSCC2=CC(=C(C(=C2)OC)OC)OC","KYSBUCCQWHLVPG-UHFFFAOYSA-N",384142,NA,"PDBC07276","673429","Present",NA,NA
+"7277","1,2,3-Trimethoxy-5-(4-methoxybenzyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methoxyphenyl)-(3,4,5-trimethoxyphenyl)methane",NA,"COC1=CC=C(C=C1)CC2=CC(=C(C(=C2)OC)OC)OC","QQEICWBYUTVTEA-UHFFFAOYSA-N",368141,NA,"PDBC07277","638484","Present",NA,NA
+"7278","1,2,3-Trimethoxy-5-(alpha-methyl-4-methoxybenzyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791946",NA,"CC(C1=CC=C(C=C1)OC)C2=CC(=C(C(=C2)OC)OC)OC","FOGHUTAYYYUZRJ-UHFFFAOYSA-N",44538571,NA,"PDBC07278","791946","Present",NA,NA
+"7279","1,2,3-Trimethoxy-5-[(4-methoxyphenyl)sulfinylmethyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Trimethoxy-5-{[(4-methoxyphenyl)sulfinyl]methyl}benzene",NA,"COC1=CC=C(C=C1)S(=O)CC2=CC(=C(C(=C2)OC)OC)OC","OJNPZDZABXDOEE-UHFFFAOYSA-N",383388,NA,"PDBC07279","671559","Present",NA,NA
+"7280","1,2,3-Trimethoxy-5-[(E)-2-(4-propoxyphenyl)ethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)3,4,5-Trimethoxy-4'-(1-propoxy)stilbene",NA,"CCCOC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","XJXIXACLJGGNEX-VOTSOKGWSA-N",5388748,NA,"PDBC07280","638403","Present",NA,NA
+"7281","1,2,3-Trimethoxy-5-[(E)-2-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]ethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 5,5'-[(1,4-phenylene)bis (2,1-ethenediyl)]bis[1...",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC","GYBCOHLPFDSXRN-PHEQNACWSA-N",5387813,NA,"PDBC07281","627651","Present",NA,NA
+"7282","1,2,3-Trimethoxy-5-[(Z)-2-(4-methylsulfanylphenyl)ethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"z-1-(4-methylthio-2-(3,4,5-trimethoxyphenyl)ethene",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)SC","MBPCWAWSQVINQF-WAYWQWQTSA-N",5467340,NA,"PDBC07282","650773","Present",NA,NA
+"7283","1,2,3-Trimethoxy-5-[(Z)-2-(4-propoxyphenyl)ethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)3,4,5-Trimethoxy-4'-(1-propoxy)stilbene",NA,"CCCOC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","XJXIXACLJGGNEX-SREVYHEPSA-N",5388747,NA,"PDBC07283","638402","Present",NA,NA
+"7284","1,2,3-Trimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(4-methoxyphenyl)ethyl]-1,2,3-trimethoxybenzene",NA,"COC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC","AQBXGPHZDHQKJU-UHFFFAOYSA-N",364708,NA,"PDBC07284","631366","Present",NA,NA
+"7285","1,2,3-Trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Trimethoxy-7-(3,4,5-trimethoxyphenyl)naphthalene",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C(=C(C=C3C=C2)OC)OC)OC","HGKHSTXOENHPFT-UHFFFAOYSA-N",298141,NA,"PDBC07285","170006","Present",NA,NA
+"7286","1,2,3-Trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Trimethoxyphenanthro[2,3-d][1,3]dioxol-6-yl acetate",NA,"CC(=O)OC1=C2C=C3C(=CC2=C4C(=C1)C=C(C(=C4OC)OC)OC)OCO3","CRVGLGHCTLVKNY-UHFFFAOYSA-N",372797,NA,"PDBC07286","648420","Present",NA,NA
+"7287","1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Trimethyl-4,5-dihydroimidazol-1-ium tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC07287","664859","Present",NA,NA
+"7288","1,2,3-Trimethyl-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Trimethyl-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC07288","664863","Present",NA,NA
+"7289","1,2,3-Triphenyl-2,3,8,8a-tetrahydrocyclopenta[a]indene-3,3a,8(1H)-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Triphenyl-2,3,8,8a-tetrahydrocyclopenta[a]indene-3,3a,8(1H)-triol",NA,"C1=CC=C(C=C1)C2C3C(C4=CC=CC=C4C3(C(C2C5=CC=CC=C5)(C6=CC=CC=C6)O)O)O","QWYCALYVYWPWLT-UHFFFAOYSA-N",361802,NA,"PDBC07289","625123","Present",NA,NA
+"7290","1,2,3-Triphenyl-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Triphenyl-2-propanol",NA,"C1=CC=C(C=C1)CC(CC2=CC=CC=C2)(C3=CC=CC=C3)O","LPKALOWBSKZKPT-UHFFFAOYSA-N",231530,NA,"PDBC07290","27932","Present",NA,NA
+"7291","1,2,4,5-Benzenetetramine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4,5-Tetraaminobenzene tetrahydrochloride",NA,"C1=C(C(=CC(=C1N)N)N)N.Cl","NZLYXIUDQUBQGU-UHFFFAOYSA-N",381091,NA,"PDBC07291","118095","Present",NA,NA
+"7292","1,2,4,5-Tetrabromo-1,5-diphenyl-3-pentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL367800",NA,"C1=CC=C(C=C1)C(C(C(=O)C(C(C2=CC=CC=C2)Br)Br)Br)Br","YQZQHNNMRZCOOF-UHFFFAOYSA-N",272617,NA,"PDBC07292","117232","Present",NA,NA
+"7293","1,2,4,5-Tetrazinane-3,6-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dithio-p-urazine",NA,"C1(=S)NNC(=S)NN1","HHSAQSIIYVKIOL-UHFFFAOYSA-N",2795393,NA,"PDBC07293","674349","Present",NA,NA
+"7294","1,2,4,5-Tetrazine, 3,6-bis(1-azetidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4,5-tetrazine, 3,6-bis(1-azetidinyl)-",NA,"C1CN(C1)C2=NN=C(N=N2)N3CCC3","UNJZINWIGXRJHA-UHFFFAOYSA-N",362170,NA,"PDBC07294","625748","Present",NA,NA
+"7295","1,2,4,5-Tetrazine-3,6-diylbis(phenylmethanone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4,5-Tetrazine-3,6-diylbis(phenylmethanone)",NA,"C1=CC=C(C=C1)C(=O)C2=NN=C(N=N2)C(=O)C3=CC=CC=C3","FZZXVLFGIDSYHO-UHFFFAOYSA-N",283962,NA,"PDBC07295","139235","Present",NA,NA
+"7296","1,2,4-Benzotriazine, 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SR 4482",NA,"C1=CC=C2C(=C1)N(N=C[N+]2=O)[O-]","GTLQQCMKADHZLK-UHFFFAOYSA-N",358960,NA,"PDBC07296","619147","Present",NA,NA
+"7297","1,2,4-Ethanylylidene-1H-cyclobuta[cd]pentalene-5-carbonitrile, octahydro-7-oxo-5-[(trimethylsilyl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Oxo-8-trimethylsilyloxypentacyclo[5.4.0.02,6.03,10.05,9]undecane-8-carbonitrile",NA,"C[Si](C)(C)OC1(C2C3CC4C2C(=O)C5C4C3C51)C#N","ZCCRPVHENVEXOD-UHFFFAOYSA-N",362201,NA,"PDBC07297","625800","Present",NA,NA
+"7298","1,2,4-Tri(2-furyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4-Tri(2-furyl)-1,4-butanedione",NA,"C1=COC(=C1)C(CC(=O)C2=CC=CO2)C(=O)C3=CC=CO3","DKSSPFGHIGDEPL-UHFFFAOYSA-N",395527,NA,"PDBC07298","700217","Present",NA,NA
+"7299","1,2,4-Tri(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4-Tri(3-thienyl)-1,4-butanedione",NA,"C1=CSC=C1C(CC(=O)C2=CSC=C2)C(=O)C3=CSC=C3","CIROEDSBLJCTER-UHFFFAOYSA-N",376712,NA,"PDBC07299","657758","Present",NA,NA
+"7300","1,2,4-Triazole-3,4,5-triamine hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"guanazine, monohydrobromide (8ci)",NA,"C1(=NN=C(N1N)N)N.Br","UARPWFDEZDUELW-UHFFFAOYSA-N",459484,NA,"PDBC07300","1936","Present",NA,NA
+"7301","1,2,4-Triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"urazol",NA,"C1(=O)NC(=O)NN1","UDATXMIGEVPXTR-UHFFFAOYSA-N",72916,NA,"PDBC07301","1892","Present",NA,NA
+"7302","1,2,4-Triazolidine-3,5-dione, 4-(1,1-dimethylethyl)-1,2-bis(trichloroacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4-Triazolidine-3,5-dione, 4-(1,1-dimethylethyl)-1,2-bis(trichloroacetyl)-",NA,"CC(C)(C)N1C(=O)N(N(C1=O)C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl","ZRNCDPQSOKHHFI-UHFFFAOYSA-N",384605,NA,"PDBC07302","674617","Present",NA,NA
+"7303","1,2,4-Triazolidine-3,5-dione, 4-(4-chlorophenyl)-1,2-bis(trichloroacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4-Triazolidine-3,5-dione, 4-(4-chlorophenyl)-1,2-bis(trichloroacetyl)-",NA,"C1=CC(=CC=C1N2C(=O)N(N(C2=O)C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl)Cl","BFMXGJBABMNUCT-UHFFFAOYSA-N",384604,NA,"PDBC07303","674616","Present",NA,NA
+"7304","1,2,4-Trichloro-3,5-dinitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"olpizan",NA,"C1=C(C(=C(C(=C1Cl)Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]","OFMRACCIIIDSDN-UHFFFAOYSA-N",17584,NA,"PDBC07304","5278","Present",NA,NA
+"7305","1,2,4-Trimethyl-6-[(phenylthio)methyl]quinoline, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dihydro-2,2,4-trimethyl-6-[(phenylthio)methyl]quinol...",NA,"CC1=CC(NC2=C1C=C(C=C2)CSC3=CC=CC=C3)(C)C.Cl","VJAZSWIOHHBTHP-UHFFFAOYSA-N",24199429,NA,"PDBC07305","327447","Present",NA,NA
+"7306","1,2,4-Triphenyl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4-triphenyl imidazole",NA,"C1=CC=C(C=C1)C2=CN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4","NOQONXWBCSGVGF-UHFFFAOYSA-N",10685368,NA,"PDBC07306","744759","Present",NA,NA
+"7307","1,2,4-Trithiolane 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Oxo-1,2,4-trithiolane",NA,"C1SCS(=O)S1","HBKXTGFWWYWFAQ-UHFFFAOYSA-N",360182,NA,"PDBC07307","622153","Present",NA,NA
+"7308","1,2,4-Trithiolane 4-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-1,2,4-trithiolane",NA,"C1SSCS1=O","KZEBDBHBXISRMG-UHFFFAOYSA-N",360183,NA,"PDBC07308","622154","Present",NA,NA
+"7309","1,2,5,6-Tetrahydro-1,1-dimethyl-4-morpholinopyridinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-132958",NA,"C[N+]1(CCC(=CC1)N2CCOCC2)C.[I-]","XVMUWGFKJKTYHU-UHFFFAOYSA-M",377674,NA,"PDBC07309","659254","Present",NA,NA
+"7310","1,2,5,6-Tetrathiocine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,5,6-Tetrathiocine",NA,"C1=CSSC=CSS1","PGXAKLXGJRBXPM-LOKDLIDFSA-N",5470145,NA,"PDBC07310","698126","Present",NA,NA
+"7311","1,2,5-Triphenyl-1H-phosphole 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,5-Triphenyl-1H-phosphole 1-oxide",NA,"C1=CC=C(C=C1)C2=CC=C(P2(=O)C3=CC=CC=C3)C4=CC=CC=C4","RYKNOWKNGHQFBI-UHFFFAOYSA-N",386461,NA,"PDBC07311","678490","Present",NA,NA
+"7312","1,2,5-Triphenylpentane-1,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,5-Triphenylpentane-1,5-dione",NA,"C1=CC=C(C=C1)C(CCC(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","HKGOVXWRWWAJDE-UHFFFAOYSA-N",286676,NA,"PDBC07312","145219","Present",NA,NA
+"7313","1,2,5-Triphenylphospholane 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,5-Triphenylphospholane 1-oxide",NA,"C1CC(P(=O)(C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","YSMZAYVFDLZNBM-UHFFFAOYSA-N",380783,NA,"PDBC07313","666494","Present",NA,NA
+"7314","1,2,7,8,9,10-Hexahydro-6H-[1]benzothieno[2',3':4,5]pyrimido[1,2-b][1,2,4,5]tetrazin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Thia-2,4,5,7,8-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,5,11(16)-tetraen-9-one",NA,"C1CCC2=C(C1)C3=C(S2)N=C4NN=CNN4C3=O","BESIREPWHIXBGG-UHFFFAOYSA-N",387515,NA,"PDBC07314","681326","Present",NA,NA
+"7315","1,2,7-Trimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,7-Trimethylnaphthalene;2,4,6-trinitrobenzene-1,3-diol",NA,"CC1=CC2=C(C=C1)C=CC(=C2C)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]","AHJJMWHYRGXIEJ-UHFFFAOYSA-N",271872,NA,"PDBC07315","115855","Present",NA,NA
+"7316","1,2,9,10-Tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylic acid 2-bromoethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromoethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxylate",NA,"COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3C(=O)OCCBr","QZMGFOFUOZRZCK-UHFFFAOYSA-N",374932,NA,"PDBC07316","653546","Present",NA,NA
+"7317","1,2,9,11-Tetrazatetracyclo[8.7.0.03,7.012,17]heptadeca-2,10,12,14,16-pentaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,9,11-Tetrazatetracyclo[8.7.0.03,7.012,17]heptadeca-2,10,12,14,16-pentaen-8-one",NA,"C1CC2C(=NN3C4=CC=CC=C4N=C3NC2=O)C1","JNGXXUZKGRHYRO-UHFFFAOYSA-N",363946,NA,"PDBC07317","629480","Present",NA,NA
+"7318","1,2-Benzenediol, 3,3'-dithiobis[4,6-bis(1,1-dimethylethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Benzenediol, 3,3'-dithiobis[4,6-bis(1,1-dimethylethyl)-",NA,"CC(C)(C)C1=CC(=C(C(=C1O)O)SSC2=C(C=C(C(=C2O)O)C(C)(C)C)C(C)(C)C)C(C)(C)C","CAACFDDSLRAMQW-UHFFFAOYSA-N",398521,NA,"PDBC07318","708432","Present",NA,NA
+"7319","1,2-Benzenediol, 3-(aminomethyl)-, hydriodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Benzenediol, 3-(aminomethyl)-, hydriodide",NA,"C1=CC(=C(C(=C1)O)O)CN.I","OADXMDCEXWFJFB-UHFFFAOYSA-N",157300,NA,"PDBC07319","329100","Present",NA,NA
+"7320","1,2-Benzenedithiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Benzenedithiol",NA,"C1=CC=C(C(=C1)S)S","JRNVQLOKVMWBFR-UHFFFAOYSA-N",69370,NA,"PDBC07320","623558","Present",NA,NA
+"7321","1,2-Benzenetriol, 5-(aminomethyl)-, hydriodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Benzenetriol, 5-(aminomethyl)-, hydriodide",NA,"C1=C(C=C(C(=C1O)O)O)CN.I","APSVXFLUUQVMCZ-UHFFFAOYSA-N",157299,NA,"PDBC07321","329094","Present",NA,NA
+"7322","1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-60394",NA,"C1=CC=C2C(=C1)C(=O)OI2C#N","AOTJNSUBRSAHHW-UHFFFAOYSA-N",390370,NA,"PDBC07322","687712","Present",NA,NA
+"7323","1,2-Benzisothiazole-2(3H)-propanoic acid, 6-[(carboxycarbonyl)amino]-3-oxo-, ethyl ester, 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(3-Ethoxy-3-oxo-propyl)-1,1,3-trioxo-1,2-benzothiazol-6-yl]amino]-2-oxo-acetic acid",NA,"CCOC(=O)CCN1C(=O)C2=C(S1(=O)=O)C=C(C=C2)NC(=O)C(=O)O","VBVYAQFNNQOKAB-UHFFFAOYSA-N",393589,NA,"PDBC07323","695660","Present",NA,NA
+"7324","1,2-Benzo-8-(2-aminoethyl)-3-phenoxazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Benzo-8-(2-aminoethyl)-3-phenoxazone",NA,"C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CCN","PLBZJWKDDGNTJA-UHFFFAOYSA-N",359305,NA,"PDBC07324","620055","Present",NA,NA
+"7325","1,2-Benzo-8-(D-alanyl)-3-phenoxazone nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Benzo-8-(D-alanyl)-3-phenoxazone nitrate",NA,"C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CC(C(=O)O)N.[N+](=O)(O)[O-]","BNIGYSSWARYXFF-BTQNPOSSSA-N",461805,NA,"PDBC07325","672426","Present",NA,NA
+"7326","1,2-Benzo-8-(L-alanyl)-3-phenoxazone nitrate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Benzo-8-(L-alanyl)-3-phenoxazone nitrate salt",NA,"C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CC(C(=O)O)N.[N+](=O)(O)[O-]","BNIGYSSWARYXFF-ZOWNYOTGSA-N",24202491,NA,"PDBC07326","672425","Present",NA,NA
+"7327","1,2-Benzothiazolin-3-one, 6-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-33601",NA,"CC1=CC2=C(C=C1)C(=O)NS2","MKOBQYYGSDGUMU-UHFFFAOYSA-N",96023,NA,"PDBC07327","48653","Present",NA,NA
+"7328","1,2-Bis((4-bromophenyl)((phenylthio)imino)methyl)diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis((4-bromophenyl)((phenylthio)imino)methyl)diazene",NA,"C1=CC=C(C=C1)SN=C(C2=CC=C(C=C2)Br)N=NC(=NSC3=CC=CC=C3)C4=CC=C(C=C4)Br","AYOXAZWANWHRNU-KWTHTQBOSA-N",9571634,NA,"PDBC07328","692653","Present",NA,NA
+"7329","1,2-Bis(1-(7-chloroquinazolin-4-yl)piperidin-4-yl)ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-4-(4-(2-(1-(7-chloro-4-quinazolinyl)-4-piperidinyl)ethyl)-1-piperidinyl)quinazoline",NA,"C1CN(CCC1CCC2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)Cl)C5=NC=NC6=C5C=CC(=C6)Cl","CTANXOBLOROWLB-UHFFFAOYSA-N",335083,NA,"PDBC07329","343227","Present",NA,NA
+"7330","1,2-Bis(1-methyl-1H-benzimidazol-2-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(1-methyl-1H-benzimidazol-2-yl)ethanol",NA,"CN1C2=CC=CC=C2N=C1CC(C3=NC4=CC=CC=C4N3C)O","DXHJCBVZZVOUSN-UHFFFAOYSA-N",314323,NA,"PDBC07330","231643","Present",NA,NA
+"7331","1,2-Bis(2,5-dichlorophenyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazine, 1,2-bis(2,5-dichlorophenyl)-",NA,"C1=CC(=C(C=C1Cl)NNC2=C(C=CC(=C2)Cl)Cl)Cl","DNZMYLLBWKOXQJ-UHFFFAOYSA-N",296004,NA,"PDBC07331","165765","Present",NA,NA
+"7332","1,2-Bis(2-Nitrophenoxy)ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7223AB",NA,"C1=CC=C(C(=C1)[N+](=O)[O-])OCCOC2=CC=CC=C2[N+](=O)[O-]","DEHTVRKGDUCXRF-UHFFFAOYSA-N",394580,NA,"PDBC07332","698149","Present",NA,NA
+"7333","1,2-Bis(2-methoxyphenyl)-1,2-diphenyl-1,2-ethanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(2-methoxyphenyl)-1,2-diphenyl-1,2-ethanediol",NA,"COC1=CC=CC=C1C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4OC)O)O","CHYBDRLMZGZGPI-UHFFFAOYSA-N",368855,NA,"PDBC07333","640190","Present",NA,NA
+"7334","1,2-Bis(2-thienylethynyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(2-thienylethynyl)benzene",NA,"C1=CC=C(C(=C1)C#CC2=CC=CS2)C#CC3=CC=CS3","IPUNNLBAQDLOML-UHFFFAOYSA-N",11380738,NA,"PDBC07334","727177","Present",NA,NA
+"7335","1,2-Bis(4,5-dichloro-6-oxo-pyridazin-1-yl)ethane-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(4,5-dichloro-6-oxopyridazin-1(6H)-yl)ethane-1,2-dione",NA,"C1=NN(C(=O)C(=C1Cl)Cl)C(=O)C(=O)N2C(=O)C(=C(C=N2)Cl)Cl","XFWWQJGRIOCORX-UHFFFAOYSA-N",362212,NA,"PDBC07335","625814","Present",NA,NA
+"7336","1,2-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(4,5-dihydro-1H-imidazol-2-yl)benzene",NA,"C1CN=C(N1)C2=CC=CC=C2C3=NCCN3","GJWAFOARYRURQN-UHFFFAOYSA-N",385843,NA,"PDBC07336","677241","Present",NA,NA
+"7337","1,2-Bis(4-(dimethylamino)phenyl)-N~1~,N~1~,N~2~,N~2~-tetraethyl-1,2-ethanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(4-(dimethylamino)phenyl)-N~1~,N~1~,N~2~,N~2~-tetraethyl-1,2-ethanediamine",NA,"CCN(CC)C(C1=CC=C(C=C1)N(C)C)C(C2=CC=C(C=C2)N(C)C)N(CC)CC","DMVSUWFLIQJFBW-UHFFFAOYSA-N",364661,NA,"PDBC07337","631252","Present",NA,NA
+"7338","1,2-Bis(4-chlorophenyl)-2-hydroxyethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoin, 4,4'-dichloro-",NA,"C1=CC(=CC=C1C(C(=O)C2=CC=C(C=C2)Cl)O)Cl","UCXPESOPEKJXJR-UHFFFAOYSA-N",219286,NA,"PDBC07338","58308","Present",NA,NA
+"7339","1,2-Bis(4-hydroxyphenoxy)ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM24209903",NA,"C1=CC(=CC=C1O)OCCOC2=CC=C(C=C2)O","CLMNUWIUDGZFCN-UHFFFAOYSA-N",247525,NA,"PDBC07339","62372","Present",NA,NA
+"7340","1,2-Bis(4-methoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-bis(4-methoxyphenyl)-1H-imidazole",NA,"COC1=CC=C(C=C1)C2=NC=CN2C3=CC=C(C=C3)OC","FYBRCHQDFZRMCM-UHFFFAOYSA-N",11254493,NA,"PDBC07340","734602","Present",NA,NA
+"7341","1,2-Bis(4-methoxyphenyl)-2-butanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(4-methoxyphenyl)-2-butanol",NA,"CCC(CC1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)O","XGOLDWMWZCJQPE-UHFFFAOYSA-N",377479,NA,"PDBC07341","658945","Present",NA,NA
+"7342","1,2-Bis(4-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(4-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione",NA,"CN1C(=O)N(N(C1=O)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC","IOUCDOPSZWUUQD-UHFFFAOYSA-N",391623,NA,"PDBC07342","691109","Present",NA,NA
+"7343","1,2-Bis(4-methoxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(4-methoxyphenyl)-4-phenyl-1,2,4-triazolidine-3,5-dione",NA,"COC1=CC=C(C=C1)N2C(=O)N(C(=O)N2C3=CC=C(C=C3)OC)C4=CC=CC=C4","YHNLCRCLYNKSLY-UHFFFAOYSA-N",391627,NA,"PDBC07343","691113","Present",NA,NA
+"7344","1,2-Bis(4-methoxyphenyl)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1651AE",NA,"COC1=CC=C(C=C1)CC(C2=CC=C(C=C2)OC)N","HKSKSPMTGBSDOR-UHFFFAOYSA-N",112487,NA,"PDBC07344","26669","Present",NA,NA
+"7345","1,2-Bis(5-(methylthio)-2-thienyl)-1,2-ethanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(5-(methylthio)-2-thienyl)-1,2-ethanedione",NA,"CSC1=CC=C(S1)C(=O)C(=O)C2=CC=C(S2)SC","SRBQRVICMHODQL-UHFFFAOYSA-N",379093,NA,"PDBC07345","663306","Present",NA,NA
+"7346","1,2-Bis(9-oxo-9H-fluoren-2-yl)diazene oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-bis(9-oxo-9H-fluoren-2-yl)diazene oxide",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N=[N+](C4=CC5=C(C=C4)C6=CC=CC=C6C5=O)[O-]","JSNDZHZWPXDSIA-UHFFFAOYSA-N",224101,NA,"PDBC07346","12363","Present",NA,NA
+"7347","1,2-Bis(diethoxyphosphoryl)ethane; dichloro(diethyl)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(diethoxyphosphoryl)ethane; dichloro(diethyl)stannane",NA,"CCOP(=O)(CCP(=O)(OCC)OCC)OCC.CC[Sn](CC)(Cl)Cl","LYRPCOHMCJESTN-UHFFFAOYSA-L",371346,NA,"PDBC07347","645566","Present",NA,NA
+"7348","1,2-Bis(p-tolylsulfonylsulfanylmethyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(p-tolylsulfonylsulfanylmethyl)benzene",NA,"CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC=C2CSS(=O)(=O)C3=CC=C(C=C3)C","UCVRZZCQOGKKAR-UHFFFAOYSA-N",361200,NA,"PDBC07348","624164","Present",NA,NA
+"7349","1,2-Bis-(5-tetrazolyl)ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Tetrazole, 5,5'-(1,2-ethanediyl)bis- (9CI)",NA,"C(CC1=NNN=N1)C2=NNN=N2","KSCMYJXTGSEZEI-UHFFFAOYSA-N",141316,NA,"PDBC07349","282034","Present",NA,NA
+"7350","1,2-Bis[(3-amino-9-acridinyl)thio]ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis[(3-amino-9-acridinyl)thio]ethane",NA,"C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)SCCSC4=C5C=CC(=CC5=NC6=CC=CC=C64)N","MRJHDAKEJAELBN-UHFFFAOYSA-N",358254,NA,"PDBC07350","618177","Present",NA,NA
+"7351","1,2-Bis[3,4-di(undecoxy)phenyl]ethane-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis[3,4-di(undecoxy)phenyl]ethane-1,2-dione",NA,"CCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C(=O)C2=CC(=C(C=C2)OCCCCCCCCCCC)OCCCCCCCCCCC)OCCCCCCCCCCC","ZJUJVAFSYOEJNW-UHFFFAOYSA-N",369903,NA,"PDBC07351","642194","Present",NA,NA
+"7352","1,2-Bis[3-(3,4-diacetoxyphenyl)-propenoyloxy]ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis[3-(3,4-diacetoxyphenyl)-propenoyloxy]ethane",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OCCOC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","QETYVBBQYZJOIU-MKICQXMISA-N",5469976,NA,"PDBC07352","695040","Present",NA,NA
+"7353","1,2-Bis[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis[4-propan-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine",NA,"CC(C)C1=CC(=NC(=N1)NNC2=NC(=CC(=N2)C(F)(F)F)C(C)C)C(F)(F)F","AKHFOJODMTWXAB-UHFFFAOYSA-N",325823,NA,"PDBC07353","295358","Present",NA,NA
+"7354","1,2-Bis[[methoxy(methyl)phosphoryl]oxymethyl]-1-methyl-3-(2-methylprop-1-enyl)cyclopropane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis[(methoxy-methyl-phosphoryl)oxymethyl]-1-methyl-3-(2-methylprop-1-enyl)cyclopropane",NA,"CC(=CC1C(C1(C)COP(=O)(C)OC)COP(=O)(C)OC)C","BSAAHOUPSFVCBI-UHFFFAOYSA-N",395709,NA,"PDBC07354","700507","Present",NA,NA
+"7355","1,2-Di(1H-indol-2-yl)-1,2-ethanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Di(1H-indol-2-yl)-1,2-ethanedione",NA,"C1=CC=C2C(=C1)C=C(N2)C(=O)C(=O)C3=CC4=CC=CC=C4N3","XNSZILUICZBHAK-UHFFFAOYSA-N",372680,NA,"PDBC07355","648213","Present",NA,NA
+"7356","1,2-Di(2-thienyl)-4-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Di(2-thienyl)-4-(3-thienyl)-1,4-butanedione",NA,"C1=CSC(=C1)C(CC(=O)C2=CSC=C2)C(=O)C3=CC=CS3","QGRCLWKDGPDJCL-UHFFFAOYSA-N",376708,NA,"PDBC07356","657754","Present",NA,NA
+"7357","1,2-Di(indol-1-yl)ethane-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-Indol-1-yl(oxo)acetyl)-1H-indole",NA,"C1=CC=C2C(=C1)C=CN2C(=O)C(=O)N3C=CC4=CC=CC=C43","GAQCZJAXPBXJDJ-UHFFFAOYSA-N",392213,NA,"PDBC07357","692346","Present",NA,NA
+"7358","1,2-Di(phenothiazin-10-yl)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Di(10H-phenothiazin-10-yl)propan-1-one",NA,"CC(C(=O)N1C2=CC=CC=C2SC3=CC=CC=C31)N4C5=CC=CC=C5SC6=CC=CC=C64","OXRCZZCPWHRXDJ-UHFFFAOYSA-N",377187,NA,"PDBC07358","658414","Present",NA,NA
+"7359","1,2-Diacetyl-1,2-didemethylthiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000210",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC(=O)C)OC(=O)C)OC","VHMHTUVWMWRGOR-UHFFFAOYSA-N",435731,NA,"PDBC07359","374979","Present",NA,NA
+"7360","1,2-Diamino-5-cyano-4-(methylthio)-6-oxo-N-phenyl-1,6-dihydro-3-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diamino-5-cyano-4-(methylthio)-6-oxo-N-phenyl-1,6-dihydro-3-pyridinecarboxamide",NA,"CSC1=C(C(=O)N(C(=C1C(=O)NC2=CC=CC=C2)N)N)C#N","RWHOVEUNUBVGMP-UHFFFAOYSA-N",392155,NA,"PDBC07360","692035","Present",NA,NA
+"7361","1,2-Diamino-5-cyano-N-(3-methoxyphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diamino-5-cyano-N-(3-methoxyphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide",NA,"COC1=CC=CC(=C1)NC(=O)C2=C(N(C(=O)C(=C2SC)C#N)N)N","WTTJZNCYGYAFDZ-UHFFFAOYSA-N",390306,NA,"PDBC07361","687598","Present",NA,NA
+"7362","1,2-Diamino-5-cyano-N-(4-methylphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diamino-5-cyano-N-(4-methylphenyl)-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=C(N(C(=O)C(=C2SC)C#N)N)N","LXYFJIUZEQANRT-UHFFFAOYSA-N",392152,NA,"PDBC07362","692032","Present",NA,NA
+"7363","1,2-Diamino-N-(4-chlorophenyl)-5-cyano-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diamino-N-(4-chlorophenyl)-5-cyano-4-(methylthio)-6-oxo-1,6-dihydro-3-pyridinecarboxamide",NA,"CSC1=C(C(=O)N(C(=C1C(=O)NC2=CC=C(C=C2)Cl)N)N)C#N","YGHOIJOCRSDKAU-UHFFFAOYSA-N",392137,NA,"PDBC07363","692017","Present",NA,NA
+"7364","1,2-Diaminocyclohexane platinum (II) chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-...///Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-2-(1S-trans))- (9CI)///Platinum, dichloro(1,2-cyclohexanediamine-N,N')-, (SP-4-2-(1R-trans))- (9CI)",NA,"C1CCC(C(C1)[NH-])[NH-].Cl[Pt+2]Cl","UUERTZXRKZEANK-UHFFFAOYSA-L",426607,NA,"PDBC07364","255917///265459///265460","Present",NA,NA
+"7365","1,2-Diazenedicarboxylic acid, 1,2-bis(phenylmethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DBAD",NA,"C1=CC=C(C=C1)COC(=O)N=NC(=O)OCC2=CC=CC=C2","IRJKSAIGIYODAN-ISLYRVAYSA-N",5387121,NA,"PDBC07365","620564","Present",NA,NA
+"7366","1,2-Diazine, 3,5-di[2-hydroxyphenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diazine, 3,5-di[2-hydroxyphenyl]-",NA,"C1=CC=C(C(=C1)C2=CC(=NN=C2)C3=CC=CC=C3O)O","DQGXCBDFQUPWHN-UHFFFAOYSA-N",365022,NA,"PDBC07366","631957","Present",NA,NA
+"7367","1,2-Dibenzoylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dibenzoylbenzene",NA,"C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CC=C3","OJLABXSUFRIXFL-UHFFFAOYSA-N",70875,NA,"PDBC07367","6145","Present",NA,NA
+"7368","1,2-Dibenzyl-5-nitro-1,2-dihydro-3h-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dibenzyl-5-nitro-1,2-dihydro-3h-indazol-3-one",NA,"C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=CC=C4","STOSUNWOWGFJLD-UHFFFAOYSA-N",386345,NA,"PDBC07368","678128","Present",NA,NA
+"7369","1,2-Dibromo-1-phenyl-2-(3-phenylacryloyl)ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4,5-DIBROMO-1,5-DIPHENYL-PENT-1-EN-3-ONE",NA,"C1=CC=C(C=C1)C=CC(=O)C(C(C2=CC=CC=C2)Br)Br","QWRCGOMWOXYYBU-VAWYXSNFSA-N",6107678,NA,"PDBC07369","117222","Present",NA,NA
+"7370","1,2-Dibromo-3,4-bis(dibromomethylene)cyclobutane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dibromo-3,4-bis(dibromomethylene)cyclobutane",NA,"C1(C(C(=C(Br)Br)C1=C(Br)Br)Br)Br","LHPQXMMEPJKJGB-UHFFFAOYSA-N",361635,NA,"PDBC07370","624851","Present",NA,NA
+"7371","1,2-Dibutyl-3-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Dibutyl-N''-cyanoguanidine",NA,"CCCCNC(=NCCCC)NC#N","MOJADWXVPMPDJX-UHFFFAOYSA-N",370387,NA,"PDBC07371","643481","Present",NA,NA
+"7372","1,2-Dichloro-4,5-dinitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: WNR CG DG FNW",NA,"C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])[N+](=O)[O-]","IGSAVPVCQHAPSM-UHFFFAOYSA-N",80565,NA,"PDBC07372","22945","Present",NA,NA
+"7373","1,2-Dichloro-4-[(E)-2-nitrobut-1-enyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dichloro-4-[(E)-2-nitrobut-1-enyl]benzene",NA,"CCC(=CC1=CC(=C(C=C1)Cl)Cl)[N+](=O)[O-]","IOAJWDUHRZDCAJ-VMPITWQZSA-N",5355002,NA,"PDBC07373","23477","Present",NA,NA
+"7374","1,2-Dichloro-4-[(E)-2-nitroprop-1-enyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC23863///NSC3941",NA,"CC(=CC1=CC(=C(C=C1)Cl)Cl)[N+](=O)[O-]","QLVJMAOJVUYXBE-GQCTYLIASA-N",5354235,NA,"PDBC07374","23863///3941","Present",NA,NA
+"7375","1,2-Dichloromethyl-o-carborane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dichloromethyl-o-carborane",NA,NA,NA,NA,NA,"PDBC07375","676528","Present",NA,NA
+"7376","1,2-Dicycloundecyl-1,2-ethanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dicycloundecyl-1,2-ethanediol",NA,"C1CCCCCC(CCCC1)C(C(C2CCCCCCCCCC2)O)O","XELVUFDGJNSXOP-UHFFFAOYSA-N",380738,NA,"PDBC07376","666445","Present",NA,NA
+"7377","1,2-Didemethylcolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Didemethylcolchicine",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)O)O)OC","QCOIAAVYXNEUDX-UHFFFAOYSA-N",100174,NA,"PDBC07377","354975","Present",NA,NA
+"7378","1,2-Diethyl-1H-naphth[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diethyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCC1=NC2=C(N1CC)C(=O)C3=CC=CC=C3C2=O","PQKLSPBEOLYTKF-UHFFFAOYSA-N",377420,NA,"PDBC07378","658863","Present",NA,NA
+"7379","1,2-Dihydro-3-thia-4a,9-diaza-4H-fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydro[1,3]thiazino[3,4-a]benzimidazole",NA,"C1CSCN2C1=NC3=CC=CC=C32","YWLAXDROTUETHO-UHFFFAOYSA-N",395902,NA,"PDBC07379","700997","Present",NA,NA
+"7380","1,2-Dihydro-4-phenanthrenecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D1I3R6W2LF",NA,"C1CC2=C(C(=C1)C(=O)O)C3=CC=CC=C3C=C2","MCJHMWKWSAFWHH-UHFFFAOYSA-N",284066,NA,"PDBC07380","139677","Present",NA,NA
+"7381","1,2-Dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium;2-(2-imino-1,3-benzothiazol-3-yl)ethanethiolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dihydro-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium;2-(2-imino-1,3-benzothiazol-3-yl)ethanethiolate",NA,"C1CSC2=[N+]1C3=CC=CC=C3S2.C1=CC=C2C(=C1)N(C(=N)S2)CC[S-]","YCVLKYUQQAJNIU-UHFFFAOYSA-M",421327,NA,"PDBC07381","132693","Present",NA,NA
+"7382","1,2-Dihydroxy-2-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dihydroxy-2-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione",NA,"CC1(CCN2C(=O)C3=CC4=CC=CC=C4C=C3C(=O)N2C1O)O","WCPMGBMEIMZWGL-UHFFFAOYSA-N",373132,NA,"PDBC07382","649074","Present",NA,NA
+"7383","1,2-Diisonicotinoylhydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Diisonicotinoylhydrazine",NA,"C1=CN=CC=C1C(=O)NNC(=O)C2=CC=NC=C2","HDADCMZPLLONGB-UHFFFAOYSA-N",72489,NA,"PDBC07383","52961","Present",NA,NA
+"7384","1,2-Dimethoxy-4-(2-nitropropenyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC12113///NSC54548",NA,"CC(=CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-]","JGFBGRHDJMANRR-VURMDHGXSA-N",737187,NA,"PDBC07384","12113///54548","Present",NA,NA
+"7385","1,2-Dimethoxy-4-[(Z)-2-nitroethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC7390",NA,"COC1=C(C=C(C=C1)C=C[N+](=O)[O-])OC","SYJMYDMKPSZMSB-WAYWQWQTSA-N",1550967,NA,"PDBC07385","7390","Present",NA,NA
+"7386","1,2-Dimethyl-3-(1,2,4-triazol-4-yl)isourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dimethyl-3-(1,2,4-triazol-4-yl)isourea",NA,"CN=C(NN1C=NN=C1)OC","GSPPJAZZCYWEJP-UHFFFAOYSA-N",394937,NA,"PDBC07386","699037","Present",NA,NA
+"7387","1,2-Dimethyl-3-nitrocyclopropene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dimethyl-3-nitrocyclopropene",NA,"CC1=C(C1[N+](=O)[O-])C","LKDSPKCCRBKIJJ-UHFFFAOYSA-N",378345,NA,"PDBC07387","660420","Present",NA,NA
+"7388","1,2-Dimethyl-4,5-bis[[(E)-2-(2-nitrophenyl)vinyl]sulfonylmethyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dimethyl-4,5-bis[[(E)-2-(2-nitrophenyl)vinyl]sulfonylmethyl]benzene",NA,"CC1=CC(=C(C=C1C)CS(=O)(=O)C=CC2=CC=CC=C2[N+](=O)[O-])CS(=O)(=O)C=CC3=CC=CC=C3[N+](=O)[O-]","QZEQMFAYAIAGRB-PHEQNACWSA-N",5388090,NA,"PDBC07388","631691","Present",NA,NA
+"7389","1,2-Dimethyl-4-morpholino-2,3-dihydro-1,5-benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dimethyl-4-morpholino-2,3-dihydro-1,5-benzodiazepine",NA,"CC1CC(=NC2=CC=CC=C2N1C)N3CCOCC3","DDNSMEARAVWPQS-UHFFFAOYSA-N",397534,NA,"PDBC07389","705842","Present",NA,NA
+"7390","1,2-Dimethyl-5-phenoxathiin-2-ylpyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dimethyl-5-phenoxathiin-2-yl-1h-pyrrole",NA,"CC1=CC=C(N1C)C2=CC3=C(C=C2)OC4=CC=CC=C4S3","QARGRSMOYNKHCF-UHFFFAOYSA-N",403357,NA,"PDBC07390","718150","Present",NA,NA
+"7391","1,2-Dimethyl-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dimethyl-phenothiazone",NA,"CC1=C(C2=NC3=CC=CC=C3SC2=CC1=O)C","HUPHNKJOBUKSOA-UHFFFAOYSA-N",369387,NA,"PDBC07391","641151","Present",NA,NA
+"7392","1,2-Dinitroso-1,2-dihydroacenaphthylene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dinitroso-1,2-dihydroacenaphthylene",NA,"C1=CC2=C3C(=C1)C(C(C3=CC=C2)N=O)N=O","ICUHCVVMFQFUSC-UHFFFAOYSA-N",346024,NA,"PDBC07392","404027","Present",NA,NA
+"7393","1,2-Dioctyl glyceryl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diC8 ether",NA,"CCCCCCCCOCC(CO)OCCCCCCCC","QWHKYVBQPAUEPF-UHFFFAOYSA-N",372442,NA,"PDBC07393","647556","Present",NA,NA
+"7394","1,2-Diphenyl-1,2-di(3-pyridinyl)-1,2-ethanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diphenyl-1,2-di(3-pyridinyl)-1,2-ethanediol",NA,"C1=CC=C(C=C1)C(C2=CN=CC=C2)(C(C3=CC=CC=C3)(C4=CN=CC=C4)O)O","SWNTUXVFZXJRMT-UHFFFAOYSA-N",387101,NA,"PDBC07394","680492","Present",NA,NA
+"7395","1,2-Diphenyl-2-(phenyldiazenyl)vinyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diphenyl-2-(phenyldiazenyl)vinyl benzoate",NA,"C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)N=NC4=CC=CC=C4","CRYAIAGXVMJABY-FWOMJYAZSA-N",3004067,NA,"PDBC07395","625652","Present",NA,NA
+"7396","1,2-Diphenylseleno-o-carborane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diphenylseleno-o-carborane",NA,NA,NA,NA,NA,"PDBC07396","676530","Present",NA,NA
+"7397","1,2-Ditert-butyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Ditert-butyl-1,2,4-triazolidine-3,5-dione",NA,"CC(C)(C)N1C(=O)NC(=O)N1C(C)(C)C","XWBTWXWRGYEDOW-UHFFFAOYSA-N",390095,NA,"PDBC07397","687038","Present",NA,NA
+"7398","1,2-Dithia-6,9-diazacyclododecane-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670030",NA,"C1CSSCCC(=O)NCCNC1=O","SQTJPYWWGNNINA-UHFFFAOYSA-N",368253,NA,"PDBC07398","670030","Present",NA,NA
+"7399","1,2-Dithiane-4,5-diyl bis(4-methylbenzenesulfonate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dithiane-4,5-diyl bis(4-methylbenzenesulfonate)",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2CSSCC2OS(=O)(=O)C3=CC=C(C=C3)C","NHKHBQRGOSNFMR-UHFFFAOYSA-N",361193,NA,"PDBC07399","624156","Present",NA,NA
+"7400","1,2-Dithiolan-4-one, thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC208746",NA,"C1C(=NNC(=S)N)CSS1","VXRHDGKBDCVXBW-UHFFFAOYSA-N",3000655,NA,"PDBC07400","208746","Present",NA,NA
+"7401","1,2-Dithiolo(3,4-b)pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LHU96QSJ2E",NA,"C1=CC2=C(N=C1)SSC2=O","ZFEQZSUEICITLV-UHFFFAOYSA-N",342690,NA,"PDBC07401","380271","Present",NA,NA
+"7402","1,2-Ethanediamine, N,N,N'-trimethyl-N'-(4,5,6,7-tetrachloro-2,2'-spirobi[1,3,2-benzodioxaphosphol]-2-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,N'-Trimethyl-N'-(4',5',6',7'-tetrachloro-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)ethane-1,2-diamine",NA,"CN(C)CCN(C)P12(OC3=CC=CC=C3O1)OC4=C(O2)C(=C(C(=C4Cl)Cl)Cl)Cl","QVCFMLYOBQQYEN-UHFFFAOYSA-N",376275,NA,"PDBC07402","656988","Present",NA,NA
+"7403","1,2-Ethanedione bis(4,4-dimethylthiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2,2'-(1,2-ethanediylidene)bis[N...",NA,"CN(C)C(=S)NN=CC=NNC(=S)N(C)C","UERVCLJOOHYLKQ-OZDSWYPASA-N",6309639,NA,"PDBC07403","693322","Present",NA,NA
+"7404","1,2-Ethanedione bis(4,4-hexamethylenethiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693324",NA,"C1CCCN(CC1)C(=S)NN=CC=NNC(=S)N2CCCCCC2","PXWCPKBGQYDAOI-XFQWXJFMSA-N",5913653,NA,"PDBC07404","693324","Present",NA,NA
+"7405","1,2-Ethanedione bis(4,4-pentamethylenethiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693323",NA,"C1CCN(CC1)C(=S)NN=CC=NNC(=S)N2CCCCC2","CWFKUWZANGTEQS-DUGOVBPYSA-N",5878685,NA,"PDBC07405","693323","Present",NA,NA
+"7406","1,2-Ethylenediphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-ethanediphosphonic acid",NA,"C(CP(=O)(O)O)P(=O)(O)O","XYJLPCAKKYOLGU-UHFFFAOYSA-N",80247,NA,"PDBC07406","40837","Present",NA,NA
+"7407","1,2-Hydrazinedicarboxylic acid, 1-[5-[(4-methoxyphenyl)azo]-1-methyl-1H-pyrrol-2-yl]-, diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Hydrazinedicarboxylic acid, 1-[5-[(4-methoxyphenyl)azo]-1-methyl-1H-pyrrol-2-yl]-, diethyl ester",NA,"CCOC(=O)NN(C1=CC=C(N1C)N=NC2=CC=C(C=C2)OC)C(=O)OCC","AYHQWLTYYLIDSW-UHFFFAOYSA-N",382725,NA,"PDBC07407","670398","Present",NA,NA
+"7408","1,2-Naphthalenedione, 4-(1-aziridinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-ethyleniminonaphthoquinone-1,2",NA,"C1CN1C2=CC(=O)C(=O)C3=CC=CC=C32","KWBYKWLHLZKMKF-UHFFFAOYSA-N",9922,NA,"PDBC07408","139347","Present",NA,NA
+"7409","1,2-Naphthalenedione, 4-(phenylamino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthoquinone imine, 2-hydroxy-N-phenyl-",NA,"C1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32","NMSRYZBDOYDJBJ-UHFFFAOYSA-N",344131,NA,"PDBC07409","400862","Present",NA,NA
+"7410","1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2,5-dihydro-5,5-dimethyl-2-phenyl-, 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2,5-dihydro-5,5-dimethyl-2-phenyl-, 2-oxide",NA,"CC1(C(=CP(=O)(O1)C2=CC=CC=C2)SC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C","QVLHDKYXYKJAPF-UHFFFAOYSA-N",380884,NA,"PDBC07410","666668","Present",NA,NA
+"7411","1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2-ethoxy-2,5-dihydro-5,5-dimethyl-, 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Oxaphosphole, 4-[(2,4-dinitrophenyl)thio]-2-ethoxy-2,5-dihydro-5,5-dimethyl-, 2-oxide",NA,"CCOP1(=O)C=C(C(O1)(C)C)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","ZXXJUBCXDGHKFW-UHFFFAOYSA-N",380883,NA,"PDBC07411","666667","Present",NA,NA
+"7412","1,2-Propanediol, 3-(octyloxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"octyl glyceryl ether",NA,"CCCCCCCCOCC(CO)O","GUPXYSSGJWIURR-UHFFFAOYSA-N",112041,NA,"PDBC07412","625447","Present",NA,NA
+"7413","1,2-Propanedione bis(4,4-dimethylthiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693325",NA,"CC(=NNC(=S)N(C)C)C=NNC(=S)N(C)C","BFPQXBXMEBQILW-SQXCDDPUSA-N",6411976,NA,"PDBC07413","693325","Present",NA,NA
+"7414","1,2-bis[bis(2-methylthiophenyl)phosphino]ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-bis[bis(2-methylthiophenyl)phosphino]ethane",NA,"CSC1=CC=CC=C1P(CCP(C2=CC=CC=C2SC)C3=CC=CC=C3SC)C4=CC=CC=C4SC","JXRFSPHGORBIOI-UHFFFAOYSA-N",397601,NA,"PDBC07414","705942","Present",NA,NA
+"7415","1,3',5'(10')-Triene-1 7'b-yl)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dithiolan-3-yl-N-(3'-methoxyestra-1',3',5'(10')-trie...",NA,"CC12CCC3C(C1CCC2NC(=O)CCCCC4CCSS4)CCC5=C3C=CC(=C5)OC","JIJOZCQZONMZOR-UHFFFAOYSA-N",24205571,NA,"PDBC07415","736179","Present",NA,NA
+"7416","1,3,10,11-Tetrahydro-2,3,10,11-tetrahydroxy-brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,13-bis-tert-Butyldimethylsilyloxy-2,3,10,11-tetrahydro...",NA,"CC1CCCC(C(C2CC(CC2C(C(C(C(=O)O1)O)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O)O","NLARHYFRFHJEHV-RWEOQDGOSA-N",24202575,NA,"PDBC07416","694611","Present",NA,NA
+"7417","1,3,2-Benzodioxaphosphole, 2-(4-methoxyphenyl)-5-(triphenylmethyl)-, 2-sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,2-Benzodioxaphosphole, 2-(4-methoxyphenyl)-5-(triphenylmethyl)-, 2-sulfide",NA,"COC1=CC=C(C=C1)P2(=S)OC3=C(O2)C=C(C=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","JBBVBCBSABZVAH-UHFFFAOYSA-N",386497,NA,"PDBC07417","678867","Present",NA,NA
+"7418","1,3,2-Dioxaphospholane, 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-, 2-sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,2-Dioxaphospholane, 2-(4-methoxyphenyl)-4,4,5,5-tetramethyl-, 2-sulfide",NA,"CC1(C(OP(=S)(O1)C2=CC=C(C=C2)OC)(C)C)C","GYXGXEQZKKQTRL-UHFFFAOYSA-N",386494,NA,"PDBC07418","678864","Present",NA,NA
+"7419","1,3,2-Oxathiastannolan-5-one, 2,2-dibutyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mercaptoacetate",NA,"CCCC[Sn]1(OC(=O)CS1)CCCC","OLOQHZSCBTUIGQ-UHFFFAOYSA-L",16682788,NA,"PDBC07419","67015","Present",NA,NA
+"7420","1,3,2-Oxathiastannolane, 2,2-dibutyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T5O-SN-STJ B4 B4",NA,"CCCC[Sn]1(OCCS1)CCCC","TWNAELGEYKMPLY-UHFFFAOYSA-M",16683030,NA,"PDBC07420","512569","Present",NA,NA
+"7421","1,3,3,10-Tetramethyl-1,3a,4,10b-tetrahydro-3H-isoxazolo[3',4':3,4]pyrrolo[1,2-a]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,3,10-Tetramethyl-1,3a,4,10b-tetrahydro-3H-isoxazolo[3',4':3,4]pyrrolo[1,2-a]indole",NA,"CC1=C2C3C(CN2C4=CC=CC=C14)C(ON3C)(C)C","AZCXNHBIWMIHLQ-UHFFFAOYSA-N",372827,NA,"PDBC07421","648488","Present",NA,NA
+"7422","1,3,3,5-Pentanetetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650734",NA,"C(CC(CCC#N)(C#N)C#N)C#N","SOUBRVXEOBMUKO-UHFFFAOYSA-N",283406,NA,"PDBC07422","650734","Present",NA,NA
+"7423","1,3,3-Trimethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]indol-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,3-Trimethyl-2-[(1Z,3E)-4-phenylbuta-1,3-dienyl]indol-1-ium;iodide",NA,"CC1(C2=CC=CC=C2[N+](=C1C=CC=CC3=CC=CC=C3)C)C.[I-]","QNHIJOBXIQEPFT-TVWRACGGSA-M",54609031,NA,"PDBC07423","10534","Present",NA,NA
+"7424","1,3,3-Trimethyl-2-methylidene-5-(1,3,3-trimethyl-2-methylideneindol-5-yl)sulfonylindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,3-Trimethyl-2-methylene-5-(1,3,3-trimethyl-2-methylene-indolin-5-yl)sulfonyl-indoline",NA,"CC1(C(=C)N(C2=C1C=C(C=C2)S(=O)(=O)C3=CC4=C(C=C3)N(C(=C)C4(C)C)C)C)C","KZCOEVFPCUHFIU-UHFFFAOYSA-N",397681,NA,"PDBC07424","706043","Present",NA,NA
+"7425","1,3,3-Trimethyl-3,4-dihydro-1,4-ethano-1H,5H-[1,4]oxazepino[4,3-a]benzimidazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,3-Trimethyl-3,4-dihydro-1,4-ethano-1H,5H-[1,4]oxazepino[4,3-a]benzimidazol-5-one",NA,"CC1(C2CCC(O1)(C3=NC4=CC=CC=C4N3C2=O)C)C","YSUDGUUUHPPPSP-UHFFFAOYSA-N",388080,NA,"PDBC07425","682543","Present",NA,NA
+"7426","1,3,4,5,7,8-Hexaphenyl-4H,8H-2,6-dithia-s-indacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4,5,7,8-Hexaphenyl-4H,8H-2,6-dithia-s-indacene",NA,"C1=CC=C(C=C1)C2C3=C(SC(=C3C(C4=C(SC(=C24)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9","WTXRSIVWBKYPLF-UHFFFAOYSA-N",363190,NA,"PDBC07426","627864","Present",NA,NA
+"7427","1,3,4,5-Tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4,5-Tetrahydro-[1,3]diazepino[1,2-a]benzimidazol-2-one",NA,"C1CC(=O)NC2=NC3=CC=CC=C3N2C1","RRCRGXFNOJMAKX-UHFFFAOYSA-N",388460,NA,"PDBC07427","683390","Present",NA,NA
+"7428","1,3,4,6,7,9-Hexachloro-N,N-bis(2-chloroethyl)-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4,6,7,9-Hexachloro-N,N-bis(2-chloroethyl)-11-oxo-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-amine",NA,"C1C2=C(C(=CC(=C2Cl)Cl)Cl)OP(=O)(OC3=C1C(=C(C=C3Cl)Cl)Cl)N(CCCl)CCCl","GDVNQKDPLWLIKA-UHFFFAOYSA-N",382837,NA,"PDBC07428","670666","Present",NA,NA
+"7429","1,3,4,6-Tetrathiapentalene-2,5-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4,6-Tetrathiapentalene-2,5-dithione",NA,"C12=C(SC(=S)S1)SC(=S)S2","RWDHIJIIQNLPPG-UHFFFAOYSA-N",363823,NA,"PDBC07429","629039","Present",NA,NA
+"7430","1,3,4,6-Tetrazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7-diene-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4,6-Tetrazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7-diene-5-thione",NA,"C1CCC2C(C1)C3CCCC4=C5C(=NNC(=S)N5)N2C34","TVWKFGRMFRJQKS-UHFFFAOYSA-N",5470587,NA,"PDBC07430","703127","Present",NA,NA
+"7431","1,3,4-Tetrahydro-5-(3,4-dimethoxyphenyl)-7-morpholino-2,4-dithioxopyrido[2,3-d]pyrimidine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4-Tetrahydro-5-(3,4-dimethoxyphenyl)-7-morpholino-...",NA,"COC1=C(C=C(C=C1)C2=C(C(=NC3=C2C(=S)NC(=S)N3)N4CCOCC4)C#N)OC","GUMUUWODHODLQT-UHFFFAOYSA-N",24204318,NA,"PDBC07431","731360","Present",NA,NA
+"7432","1,3,4-Trichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4-Trichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-amine hydrochloride",NA,"C1C(C2=C(SC(=C2C1Cl)Cl)Cl)N.Cl","PJEAJIWIJDDBMP-UHFFFAOYSA-N",396943,NA,"PDBC07432","704125","Present",NA,NA
+"7433","1,3,4-Trifluoro-2-nitro-10H-phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Phenothiazine, 1,3,4-trifluoro-2-nitro-",NA,"C1=CC=C2C(=C1)NC3=C(C(=C(C(=C3S2)F)F)[N+](=O)[O-])F","AWSJJTFAFQEBSD-UHFFFAOYSA-N",385372,NA,"PDBC07433","676522","Present",NA,NA
+"7434","1,3,4-Triphenyl-2H-phosphete",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4-Triphenyl-1,2-dihydrophosphete",NA,"C1C(=C(P1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","QQDDJUKBMDFUIB-UHFFFAOYSA-N",391571,NA,"PDBC07434","690982","Present",NA,NA
+"7435","1,3,4-Triphenylisothiochromeno[4,3-c]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4-Triphenylisothiochromeno[4,3-c]pyridazine",NA,"C1=CC=C(C=C1)C2=C3C(=C4C=CC=CC4=CS3)N(N=C2C5=CC=CC=C5)C6=CC=CC=C6","BGHZRUTXJSNJPG-UHFFFAOYSA-N",373883,NA,"PDBC07435","650874","Present",NA,NA
+"7436","1,3,4-Tris(4-methylphenyl)-2,5-diphenyl-2,4-cyclopentadien-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4-Tris(4-methylphenyl)-2,5-diphenyl-2,4-cyclopentadien-1-ol",NA,"CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=C(C=C5)C)O)C6=CC=CC=C6","HLNQRUXQXWKPBK-UHFFFAOYSA-N",370268,NA,"PDBC07436","643046","Present",NA,NA
+"7437","1,3,4alpha,6alpha-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,6R)-1,3,4,6-Tetrachloro-5,6-dihydro-4H-cyclopenta[c]thiophene",NA,"C1C(C2=C(SC(=C2C1Cl)Cl)Cl)Cl","FRIOLWQFTWFURX-WSOKHJQSSA-N",396940,NA,"PDBC07437","704122","Present",NA,NA
+"7438","1,3,4beta-Trichloro-6alpha-bromo-5,6-dihydro-4H-cyclopenta[c]thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4s,6s)-6-Bromo-1,3,4-trichloro-5,6-dihydro-4h-cyclopenta[c]thiophene",NA,"C1C(C2=C(SC(=C2C1Br)Cl)Cl)Cl","INIATLNNCALISB-HRFVKAFMSA-N",397149,NA,"PDBC07438","704550","Present",NA,NA
+"7439","1,3,4beta-Trichloro-6beta-bromo-5,6-dihydro-4H-cyclopenta[c]thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4s,6r)-6-Bromo-1,3,4-trichloro-5,6-dihydro-4h-cyclopenta[c]thiophene",NA,"C1C(C2=C(SC(=C2C1Br)Cl)Cl)Cl","INIATLNNCALISB-GBXIJSLDSA-N",397148,NA,"PDBC07439","704549","Present",NA,NA
+"7440","1,3,5,8-Tetramethyl-1,5,6,8-tetrahydropyrazolo[3,4-e][1,4]diazepine-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5,8-Tetramethyl-1,5,6,8-tetrahydropyrazolo[3,4-e][1,4]diazepine-4,7-dione",NA,"CC1=NN(C2=C1C(=O)N(CC(=O)N2C)C)C","DGXZMTNZDDJDDN-UHFFFAOYSA-N",377438,NA,"PDBC07440","658891","Present",NA,NA
+"7441","1,3,5-Triacryloylhexahydro-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fixierer p",NA,"C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C","FYBFGAFWCBMEDG-UHFFFAOYSA-N",70397,NA,"PDBC07441","63839","Present",NA,NA
+"7442","1,3,5-Triazapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2,5,11(18),12,14,16-hexaene-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Triazapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2,5,11(18),12,14,16-hexaene-4-thione",NA,"C1CC2C3=C(C1)C4=CC=CC=C4N3C5=NC(=S)N=C25","SPFYLNQXGKZCOL-UHFFFAOYSA-N",396627,NA,"PDBC07442","703126","Present",NA,NA
+"7443","1,3,5-Triazin-2(1H)-one, tetrahydro-1,3-dimethyl-5-[(tetrahydro-3,5-dimethyl-4-oxo-1,3,5-triazin-1(2H)-yl)carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,5-Dimethyl-4-oxo-1,3,5-triazinane-1-carbonyl)-1,3-dimethyl-1,3,5-triazinan-2-one",NA,"CN1CN(CN(C1=O)C)C(=O)N2CN(C(=O)N(C2)C)C","LNGKPQHETDTYSP-UHFFFAOYSA-N",370397,NA,"PDBC07443","643494","Present",NA,NA
+"7444","1,3,5-Triazine-2,4-diamine, 1-[4-fluoro-3-(trifluoromethyl)phenyl]-1,6-dihydro-6,6-dimethyl-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(.alp...",NA,"CC1(N=C(N=C(N1C2=CC(=C(C=C2)F)C(F)(F)F)N)N)C.Cl","NTRFBDFCMNEOMU-UHFFFAOYSA-N",21144572,NA,"PDBC07444","173516","Present",NA,NA
+"7445","1,3,5-Triazino[1,2-a]benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C9H7N5",NA,"C1=CC=C2C(=C1)N=C3N2C=NC(=N3)N","REQUSPHPOKKVPV-UHFFFAOYSA-N",387165,NA,"PDBC07445","680679","Present",NA,NA
+"7446","1,3,5-Tribenzylpyrrolo[3,4-d]imidazole-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Tribenzyl-1,3-dihydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,"C1=CC=C(C=C1)CN2C3=C(C(=O)N(C3=O)CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5","OGMWOFMTYNSORS-UHFFFAOYSA-N",369308,NA,"PDBC07446","641062","Present",NA,NA
+"7447","1,3,5-Tribenzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Tribenzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,"C1=CC=C(C=C1)CN2C3C(C(=O)N(C3=O)CC4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5","BYXCBEDSXXQRPB-UHFFFAOYSA-N",365907,NA,"PDBC07447","634028","Present",NA,NA
+"7448","1,3,5-Trimethyl-2,3,4,5-tetrahydro-1-benzazepine-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Trimethyl-2,3,4,5-tetrahydro-1H-1-benzazepine-2-carbonitrile",NA,"CC1CC(C2=CC=CC=C2N(C1C#N)C)C","LBEAHYPHXKKJKU-UHFFFAOYSA-N",379691,NA,"PDBC07448","664566","Present",NA,NA
+"7449","1,3,5-Trimethyl-2,4,6-triphenylpiperidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Trimethyl-2,4,6-triphenylpiperidin-4-ol",NA,"CC1C(N(C(C(C1(C2=CC=CC=C2)O)C)C3=CC=CC=C3)C)C4=CC=CC=C4","HEXUVKQFPIUPML-UHFFFAOYSA-N",339050,NA,"PDBC07449","363968","Present",NA,NA
+"7450","1,3,5-Trimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Trimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid",NA,"CC1=C(N(C(=O)N(C1=O)C)C)C(=O)O","YRHDQHSHFNPAPR-UHFFFAOYSA-N",362786,NA,"PDBC07450","627063","Present",NA,NA
+"7451","1,3,5-Trimethyl-2,6-diphenyl-piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Trimethyl-2,6-diphenylpiperidin-4-one;hydrochloride",NA,"CC1C(N(C(C(C1=O)C)C2=CC=CC=C2)C)C3=CC=CC=C3.Cl","PQNXBEFNFIBWMC-UHFFFAOYSA-N",24200253,NA,"PDBC07451","364080","Present",NA,NA
+"7452","1,3,5-Trimethyl-2,6-diphenylpiperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Trimethyl-2,6-diphenylpiperidin-4-one",NA,"CC1C(N(C(C(C1=O)C)C2=CC=CC=C2)C)C3=CC=CC=C3","UGXYFKZVHUXJED-UHFFFAOYSA-N",339081,NA,"PDBC07452","364025","Present",NA,NA
+"7453","1,3,5-Trimethyl-2-[2-[(2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)-[2-[(1,3,5-trimethyl-4,6-dioxo-1,3,5,2-triazaphosphinan-2-yl)oxy]ethyl]amino]ethoxy]-1,3,5,2-triazaphosphinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Trimethyl-2-[2-[(2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)-[2-[(1,3,5-trimethyl-4,6-dioxo-1,3,5,2-triazaphosphinan-2-yl)oxy]ethyl]amino]ethoxy]-1,3,5,2-triazaphosphinane-4,6-dione",NA,"CN1C(=O)N(P(N(C1=O)C)OCCN(CCOP2N(C(=O)N(C(=O)N2C)C)C)P3(=O)NCCCO3)C","WAXGHHFWBJKGTR-UHFFFAOYSA-N",397612,NA,"PDBC07453","705954","Present",NA,NA
+"7454","1,3,5-Trimethyl-2-phenyl-1,3,5,2-triazaborinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Trimethyl-2-phenyl-1,3,5,2-triazaborinane-4,6-dione",NA,"B1(N(C(=O)N(C(=O)N1C)C)C)C2=CC=CC=C2","SDERIOGEXNGHMX-UHFFFAOYSA-N",387100,NA,"PDBC07454","680491","Present",NA,NA
+"7455","1,3,5-Trimethylpurino[8,9-b]quinazoline-2,4,11-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Trimethylpurino[8,9-b]quinazoline-2,4,11-trione",NA,"CN1C2=C(N(C(=O)N(C2=O)C)C)N3C1=NC4=CC=CC=C4C3=O","JAAQXDSRVIXPKG-UHFFFAOYSA-N",389768,NA,"PDBC07455","686364","Present",NA,NA
+"7456","1,3,5-Triphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Triphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-thioxo-pyrimidin-4-one",NA,"C1CCN(C1)CCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","LDBMQBJQVLQAKQ-UHFFFAOYSA-N",396741,NA,"PDBC07456","703451","Present",NA,NA
+"7457","1,3,5-Triphenyl-6-(3-piperidin-1-ylpropylsulfanyl)-2-sulfanylidenepyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Triphenyl-6-[3-(1-piperidyl)propylsulfanyl]-2-thioxo-pyrimidin-4-one",NA,"C1CCN(CC1)CCCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","ZDLVZQIAJLSXCE-UHFFFAOYSA-N",396744,NA,"PDBC07457","703454","Present",NA,NA
+"7458","1,3,5-Tris(3,4-dichlorophenyl)-1,3,5-triazinane-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Tris(3,4-dichlorophenyl)-1,3,5-triazinane-2,4,6-trione",NA,"C1=CC(=C(C=C1N2C(=O)N(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl)Cl)Cl","FXOQGHKORJYZFD-UHFFFAOYSA-N",379572,NA,"PDBC07458","664259","Present",NA,NA
+"7459","1,3,5-Tris(4-methoxybenzyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Tris(4-methoxybenzyl)benzene",NA,"COC1=CC=C(C=C1)CC2=CC(=CC(=C2)CC3=CC=C(C=C3)OC)CC4=CC=C(C=C4)OC","XHNHBQUFATXPST-UHFFFAOYSA-N",393215,NA,"PDBC07459","694703","Present",NA,NA
+"7460","1,3,5-Tris(azidomethyl)-2,4,6-trimethylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Tris(azidomethyl)-2,4,6-trimethylbenzene",NA,"CC1=C(C(=C(C(=C1CN=[N+]=[N-])C)CN=[N+]=[N-])C)CN=[N+]=[N-]","SUKCSQNSCGTSOU-UHFFFAOYSA-N",386646,NA,"PDBC07460","679103","Present",NA,NA
+"7461","1,3,5a-Trihydroxychromeno[2,3-b]chromen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5a-Trihydroxychromeno[2,3-b]chromen-12-one",NA,"C1=CC=C2C(=C1)C=C3C(=O)C4=C(C=C(C=C4OC3(O2)O)O)O","MGOCWVNUDPYIGE-UHFFFAOYSA-N",388322,NA,"PDBC07461","683057","Present",NA,NA
+"7462","1,3,6,7-Tetrahydroxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Xanthen-9-one, 2-.beta.-D-glucopyranosyl-1,3,6,7-tetr...",NA,"C1=C2C(=CC(=C1O)O)OC3=C(C2=O)C(=C(C(=C3)O)C4C(C(C(C(O4)CO)O)O)O)O","AEDDIBAIWPIIBD-UHFFFAOYSA-N",5358385,NA,"PDBC07462","248870","Present",NA,NA
+"7463","1,3,6,8,11,13,16,18-Octazatricyclo[16.2.2.28,11]tetracosane-4,5,14,15-tetrathione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6,8,11,13,16,18-octaazatricyclo[16.2.2.2-8,11-]tetra...",NA,"C1CN2CCN1CNC(=S)C(=S)NCN3CCN(CC3)CNC(=S)C(=S)NC2","SZXOAAPVXFAACH-UHFFFAOYSA-N",3246199,NA,"PDBC07463","49487","Present",NA,NA
+"7464","1,3,6,9-Tetrathiacycloundecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6,9-Tetrathiacycloundecane",NA,"C1CSCCSCSCCS1","ZWFLCAAQEDJCPS-UHFFFAOYSA-N",373837,NA,"PDBC07464","650800","Present",NA,NA
+"7465","1,3,6-Tetrabromo-7-chloro-3,7-dimethyloctane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,6-Tetrabromo-7-chloro-3,7-dimethyloctane",NA,"CC(C)(C(CCC(C)(C(CBr)Br)Br)Br)Cl","VQJJUSUYXITRKY-UHFFFAOYSA-N",377932,NA,"PDBC07465","659556","Present",NA,NA
+"7466","1,3,6-Triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7,12(19),13,15,17-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6-Triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7,12(19),13,15,17-hexaene",NA,"C1CC2=C3C(=C4C(=NCCN4)N3C5=CC=CC=C25)C1","MZQCBXPYARZBEM-UHFFFAOYSA-N",396629,NA,"PDBC07466","703128","Present",NA,NA
+"7467","1,3,6-Tribromo-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6-Tribromo-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1C(C2=C(SC(=C2C1=O)Br)Br)Br","CZYXJOKMEQOKIB-UHFFFAOYSA-N",398922,NA,"PDBC07467","709156","Present",NA,NA
+"7468","1,3,6-Tribromocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6-Tribromocyclopenta[c]thiophen-4-one",NA,"C1=C(C2=C(SC(=C2C1=O)Br)Br)Br","GMPZNLGMGBOGRJ-UHFFFAOYSA-N",397155,NA,"PDBC07468","704556","Present",NA,NA
+"7469","1,3,6-Trichloro-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6-Trichloro-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1C(C2=C(SC(=C2C1=O)Cl)Cl)Cl","HQIUNWVVIXWUNN-UHFFFAOYSA-N",396949,NA,"PDBC07469","704130","Present",NA,NA
+"7470","1,3,6-Trimethyl-9H-pyrimido[4,5-b]indole-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6-Trimethyl-9H-pyrimido[4,5-b]indole-2,4-dione",NA,"CC1=CC2=C(C=C1)NC3=C2C(=O)N(C(=O)N3C)C","QDVJSXSYTSOMFK-UHFFFAOYSA-N",387235,NA,"PDBC07470","680810","Present",NA,NA
+"7471","1,3,6alpha-Trichloro-5,6-dihydro-4H-cyclopenta[c]thiophene-4alpha-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S,6R)-1,3,4-Trichloro-5,6-dihydro-4H-cyclopenta[c]thiophen-6-ol",NA,"C1C(C2=C(SC(=C2C1Cl)Cl)Cl)O","KEWSPFNPIRCKQG-STHAYSLISA-N",397147,NA,"PDBC07471","704548","Present",NA,NA
+"7472","1,3,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hy...",NA,"COC1=C(C(=C2C(=C1)CC3=C2N=CC4=C(C(=C(C=C34)OC)OC)OC)OC)OC.Cl","BSABFUJVIMYNQS-UHFFFAOYSA-N",11464666,NA,"PDBC07472","730928","Present",NA,NA
+"7473","1,3,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hyd...",NA,"COC1=C(C=C2C(=C1)CC3=C2N=CC4=C(C(=C(C=C34)OC)OC)OC)OC.Cl","YWCZFYOBXXIEGG-UHFFFAOYSA-N",11235079,NA,"PDBC07473","730919","Present",NA,NA
+"7474","1,3,7-Trimethyl-2,4,6,8-tetraoxo-9-[2-oxo-2-[[2-[(2-methoxy-6-chloroacridin-9-yl)amino]ethyl]amino]ethyl]-1,2,3,4,6,7,8,9-octahydropyrimido[5,4-g]pteridine 5-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethyl]-2-(3,7,9-trimethyl-5-oxido-2,4,6,8-tetraoxopyrimido[5,4-g]pteridin-5-ium-1-yl)acetamide",NA,"CN1C2=C(C(=O)N(C1=O)C)[N+](=C3C(=N2)N(C(=O)N(C3=O)C)CC(=O)NCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC)[O-]","LFMBAQCARPEGEG-UHFFFAOYSA-N",496464,NA,"PDBC07474","689712","Present",NA,NA
+"7475","1,3,7-Trimethyl-6-phenyl-2,4,8,9-tetraoxatricyclo[4.2.1.03,7]nonan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,7-Trimethyl-6-phenyl-2,4,8,9-tetraoxatricyclo[4.2.1.03,7]nonan-5-one",NA,"CC12C3(OC(=O)C1(OC(O2)(O3)C)C4=CC=CC=C4)C","IDPQIPXJQOGXOE-UHFFFAOYSA-N",363027,NA,"PDBC07475","627571","Present",NA,NA
+"7476","1,3,7-Trimethyl-8-((2-((1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)amino)ethyl)amino)-3,7-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,7-Trimethyl-8-[2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethylamino]purine-2,6-dione",NA,"CN1C2=C(N=C1NCCNC3=NC4=C(N3C)C(=O)N(C(=O)N4C)C)N(C(=O)N(C2=O)C)C","KPLGAVCWHZIINT-UHFFFAOYSA-N",225243,NA,"PDBC07476","14410","Present",NA,NA
+"7477","1,3,7-Trimethyl-8-(2-methylpropoxy)purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,7-Trimethyl-8-(2-methylpropoxy)purine-2,6-dione",NA,"CC(C)COC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C","AECKNGLDPIWXEE-UHFFFAOYSA-N",225223,NA,"PDBC07477","14380","Present",NA,NA
+"7478","1,3,8-Triazaspiro[4.5]decan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-D0364",NA,"C1CNCCC12CNC(=O)N2","XLZONOPLKJMTSW-UHFFFAOYSA-N",379975,NA,"PDBC07478","665282","Present",NA,NA
+"7479","1,3,8-Triazaspiro[4.5]decane-2,4-dione, 3-(hexahydro-1H-azepin-1-yl)-8-methyl-1-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,8-Triazaspiro[4.5]decane-2,4-dione, 3-(hexahydro-1H-azepin-1-yl)-8-methyl-1-phenyl-",NA,"CN1CCC2(CC1)C(=O)N(C(=O)N2C3=CC=CC=C3)N4CCCCCC4","BZGVSMDSAIQMOO-UHFFFAOYSA-N",380273,NA,"PDBC07479","665751","Present",NA,NA
+"7480","1,3,8-Trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10H-anthracen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,8-Trihydroxy-6-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one",NA,"C1=C(C=C(C2=C1C(C3=C(C2=O)C(=CC(=C3)O)O)C4C(C(C(C(O4)CO)O)O)O)O)CO","VEGRJHHHCVVHLU-UHFFFAOYSA-N",377287,NA,"PDBC07480","658575","Present",NA,NA
+"7481","1,3,8-Trihydroxy-6-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10H-anthracen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,8-Trihydroxy-6-methyl-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)O","BCOTZUBWLKWUOG-UHFFFAOYSA-N",377286,NA,"PDBC07481","658574","Present",NA,NA
+"7482","1,3,9,11-Tetramethyl-5,7-dihydrodibenzo[c,e]thiepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FGSXSCOUEIAMOA-UHFFFAOYSA-N",NA,"CC1=CC(=C2C(=C1)CSCC3=CC(=CC(=C32)C)C)C","FGSXSCOUEIAMOA-UHFFFAOYSA-N",362097,NA,"PDBC07482","625626","Present",NA,NA
+"7483","1,3,9-Trimethylpyrimido[4,5-b]indole-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,9-Trimethylpyrimido[4,5-b]indole-2,4-dione",NA,"CN1C2=CC=CC=C2C3=C1N(C(=O)N(C3=O)C)C","OAYVAYZBLXIWAA-UHFFFAOYSA-N",387234,NA,"PDBC07483","680809","Present",NA,NA
+"7484","1,3-Benzenetriol, 4-(aminomethyl)-, hydriodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Benzenetriol, 4-(aminomethyl)-, hydriodide",NA,"C1=CC(=C(C(=C1CN)O)O)O.I","NUJTUEHVRQVGDV-UHFFFAOYSA-N",24199475,NA,"PDBC07484","329097","Present",NA,NA
+"7485","1,3-Benzodioxol-5-yl 3,4,5-trimethoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-548/43196712",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)OC2=CC3=C(C=C2)OCO3","VJSWXKWSJQSRFU-UHFFFAOYSA-N",395506,NA,"PDBC07485","700148","Present",NA,NA
+"7486","1,3-Benzodioxol-5-yl(5,6,7-trimethoxy-1-isoquinolinyl)methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzodioxol-5-yl(5,6,7-trimethoxy-1-isoquinolinyl)methyl benzoate",NA,"COC1=C(C(=C2C=CN=C(C2=C1)C(C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC=CC=C5)OC)OC","OPPNSDQUATTZJH-DEOSSOPVSA-N",6711456,NA,"PDBC07486","627669","Present",NA,NA
+"7487","1,3-Benzodioxol-5-yl-(2-methylisoquinolin-2-ium-4-yl)methanol;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[1,3-Benzodioxol-5-yl(hydroxy)methyl]-2-methylisoquinolinium iodide",NA,"C[N+]1=CC2=CC=CC=C2C(=C1)C(C3=CC4=C(C=C3)OCO4)O.[I-]","VHNYUSGXIXDEJP-UHFFFAOYSA-M",371209,NA,"PDBC07487","645259","Present",NA,NA
+"7488","1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanol",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)O","WZHMXZXYQNKDGX-UHFFFAOYSA-N",384223,NA,"PDBC07488","673628","Present",NA,NA
+"7489","1,3-Benzodioxol-5-yl-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4,5-Trimethoxybenzoyl)-1,3-benzodioxole",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C2=CC3=C(C=C2)OCO3","OIUSXYOSZDCLLJ-UHFFFAOYSA-N",242314,NA,"PDBC07489","50869","Present",NA,NA
+"7490","1,3-Benzodioxol-5-yl-(4-methoxyphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UJGWKTSSCIBXIB-UHFFFAOYSA-N",NA,"COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)O","UJGWKTSSCIBXIB-UHFFFAOYSA-N",384224,NA,"PDBC07490","673629","Present",NA,NA
+"7491","1,3-Benzodioxol-5-yl-[4-(3-chlorophenyl)piperazin-1-yl]methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzodioxol-5-yl[4-(3-chlorophenyl)piperazin-1-yl]methanethione",NA,"C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)C3=CC4=C(C=C3)OCO4","AGCCYFQBWLFQII-UHFFFAOYSA-N",256556,NA,"PDBC07491","83492","Present",NA,NA
+"7492","1,3-Benzodioxol-5-yl-[4-(3-methylphenyl)piperazin-1-yl]methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzodioxol-5-yl[4-(3-methylphenyl)piperazin-1-yl]methanethione",NA,"CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC4=C(C=C3)OCO4","XIWWLBIRVKQSQX-UHFFFAOYSA-N",261316,NA,"PDBC07492","93301","Present",NA,NA
+"7493","1,3-Benzodioxol-5-ylmethyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzodioxol-5-ylmethyl(2r,3s)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoate",NA,"C1OC2=C(O1)C=C(C=C2)COC(=O)C(C(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)O","VDFKJYXTXADUGL-FCHUYYIVSA-N",361914,NA,"PDBC07493","625349","Present",NA,NA
+"7494","1,3-Benzodioxole-5-carbaldehyde (5-hydroxy-6-(2-(4-methylphenyl)vinyl)-1,2,4-triazin-3-yl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzodioxole-5-carbaldehyde (5-hydroxy-6-(2-(4-methylphenyl)vinyl)-1,2,4-triazin-3-yl)hydrazone",NA,"CC1=CC=C(C=C1)C=CC2=NN=C(NC2=O)NN=CC3=CC4=C(C=C3)OCO4","WRYLTUHGJGLBMF-UJYDWOFLSA-N",135493963,NA,"PDBC07494","685127","Present",NA,NA
+"7495","1,3-Benzothiadiazin-4-amine, N-[4-nitrophenyl)methyl]-, S,S-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Benzothiadiazin-4-amine, N-[4-nitrophenyl)methyl]-...",NA,"C1=CC=C2C(=C1)C(=NCC3=CC=C(C=C3)[N+](=O)[O-])NNS2(=O)=O","AVLJRLAMOHNXOD-UHFFFAOYSA-N",135408925,NA,"PDBC07495","645789","Present",NA,NA
+"7496","1,3-Benzothiazol-2(3H)-ylidenemalononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3 - Benzthiazo - 2(3H)- ylidene Malononitrile",NA,"C1=CC=C2C(=C1)NC(=C(C#N)C#N)S2","VUNPYDYMOWBARG-UHFFFAOYSA-N",641563,NA,"PDBC07496","728029","Present",NA,NA
+"7497","1,3-Benzothiazol-2-yl 1-benzyl-3-methyl-2-butenyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzothiazol-2-yl 1-benzyl-3-methyl-2-butenyl sulfone",NA,"CC(=CC(CC1=CC=CC=C1)S(=O)(=O)C2=NC3=CC=CC=C3S2)C","WLJOHDSGEBQULH-UHFFFAOYSA-N",384659,NA,"PDBC07497","674704","Present",NA,NA
+"7498","1,3-Benzothiazol-2-yl 2-chloro-2-phenylethyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzothiazol-2-yl 2-chloro-2-phenylethyl sulfone",NA,"C1=CC=C(C=C1)C(CS(=O)(=O)C2=NC3=CC=CC=C3S2)Cl","GXZFYSUCSDSYJF-UHFFFAOYSA-N",384661,NA,"PDBC07498","674706","Present",NA,NA
+"7499","1,3-Benzothiazol-2-yl-(3,4,5-trimethoxyphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzothiazol-2-yl(3,4,5-trimethoxyphenyl)methanol",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=NC3=CC=CC=C3S2)O","WOCWYIDQVMNHRI-UHFFFAOYSA-N",258293,NA,"PDBC07499","87084","Present",NA,NA
+"7500","1,3-Benzothiazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzothiazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene",NA,"CC(=C1C=CC=CN1O)N=NC2=NC3=CC=CC=C3S2","MAUSMKVTDCHTQS-NPYZNLJBSA-N",6712917,NA,"PDBC07500","720196","Present",NA,NA
+"7501","1,3-Benzoxazepin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzoxazepin-5-ol",NA,"C1=CC=C2C(=C1)C(=CN=CO2)O","JQHLFKBQDXRCFU-UHFFFAOYSA-N",371950,NA,"PDBC07501","646707","Present",NA,NA
+"7502","1,3-Benzoxazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzoxazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene",NA,"CC(=C1C=CC=CN1O)N=NC2=NC3=CC=CC=C3O2","YEMUSZWPPSMZQB-NPYZNLJBSA-N",6712918,NA,"PDBC07502","720198","Present",NA,NA
+"7503","1,3-Bis (o-aminophenoxy)propane dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis (o-aminophenoxy)propane dihydrochloride",NA,"C1=CC=C(C(=C1)N)OCCCOC2=CC=CC=C2N.Cl","AJJQFSAJQBJFFB-UHFFFAOYSA-N",385331,NA,"PDBC07503","676449","Present",NA,NA
+"7504","1,3-Bis((2,6-difluorobenzoyl)oxy)-1,1,3,3-tetraethyldistannoxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(2,6-Difluorobenzoyl)oxy-diethyl-stannyl]oxy-diethyl-stannyl] 2,6-difluorobenzoate",NA,"CC[Sn](CC)(OC(=O)C1=C(C=CC=C1F)F)O[Sn](CC)(CC)OC(=O)C2=C(C=CC=C2F)F","JZGXIXXBIRSRTK-UHFFFAOYSA-L",16683196,NA,"PDBC07504","643852","Present",NA,NA
+"7505","1,3-Bis(1,2,3,4-tetrahydroacridin-9-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(1,2,3,4-tetrahydroacridin-9-yl)thiourea",NA,"C1CCC2=NC3=CC=CC=C3C(=C2C1)NC(=S)NC4=C5CCCCC5=NC6=CC=CC=C64","GMCNXFSROKTTBP-UHFFFAOYSA-N",3005224,NA,"PDBC07505","684146","Present",NA,NA
+"7506","1,3-Bis(1-(allyloxy)ethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(1-(allyloxy)ethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione",NA,"CC1=CC(=O)N(C(=O)N1C(C)OCC=C)C(C)OCC=C","LIWJALROXHOYQH-UHFFFAOYSA-N",375737,NA,"PDBC07506","655760","Present",NA,NA
+"7507","1,3-Bis(1-cyanopropyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(1-cyanopropyl)urea",NA,"CCC(C#N)NC(=O)NC(CC)C#N","RXNWBCSIBLXCEQ-UHFFFAOYSA-N",387723,NA,"PDBC07507","681752","Present",NA,NA
+"7508","1,3-Bis(2,3,4,5,6-pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(2,3,4,5,6-pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazole-2-thione",NA,"C1=CC=C2C(=C1)N(C(=S)N2C(=O)C3=C(C(=C(C(=C3F)F)F)F)F)C(=O)C4=C(C(=C(C(=C4F)F)F)F)F","SCOBDOANQAXBJI-UHFFFAOYSA-N",383507,NA,"PDBC07508","671892","Present",NA,NA
+"7509","1,3-Bis(2,3-dibromopropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(2,3-dibromopropyl)-5-methyl-1,3,5-triazinane-2,4,6-trione",NA,"CN1C(=O)N(C(=O)N(C1=O)CC(CBr)Br)CC(CBr)Br","MKYAZITYDIOKAN-UHFFFAOYSA-N",398952,NA,"PDBC07509","709321","Present",NA,NA
+"7510","1,3-Bis(2-hydroxyethylthio)propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-63905",NA,"C(CSCCO)CSCCO","JIJWGPUMOGBVMQ-UHFFFAOYSA-N",373735,NA,"PDBC07510","650634","Present",NA,NA
+"7511","1,3-Bis(2-naphthylmethyl)-1H-benzoimidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(naphthalen-2-ylmethyl)benzimidazolium bromide",NA,"C1=CC=C2C=C(C=CC2=C1)CN3C=[N+](C4=CC=CC=C43)CC5=CC6=CC=CC=C6C=C5","CYLDVOCLRMKGOU-UHFFFAOYSA-N",129886342,NA,"PDBC07511","788909","Present",NA,NA
+"7512","1,3-Bis(2-naphthylmethyl)-2-(3-oxo-3-methoxypropyl)-1H-benzoimidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-methoxy-3-oxopropyl)-1,3-bis(naphthalen-2-ylmethyl)...",NA,"COC(=O)CCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","VTUGEUWYJGUNDL-UHFFFAOYSA-N",132547209,NA,"PDBC07512","791486","Present",NA,NA
+"7513","1,3-Bis(2-naphthylmethyl)-2-[2-(2-methoxyethoxy)ethoxymethyl]-1H-benzoimidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(2-methoxyethoxy)ethoxy)methyl)-1,3-bis(naphthalen...",NA,"COCCOCCOCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","KCPPBASHHGWPGO-UHFFFAOYSA-N",132547217,NA,"PDBC07513","791489","Present",NA,NA
+"7514","1,3-Bis(2-naphthylmethyl)-2-butyl-1H-benzoimidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-butyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazolium br...",NA,"CCCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","YZTVTPQZCUBZKM-UHFFFAOYSA-N",132547214,NA,"PDBC07514","791108","Present",NA,NA
+"7515","1,3-Bis(2-naphthylmethyl)-2-heptyl-1H-benzoimidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-heptyl-1,3-bis(naphthalen-2-ylmethyl)benzo[d]imidazoli...",NA,"CCCCCCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","AWOCFPAYOOPFCU-UHFFFAOYSA-N",132547215,NA,"PDBC07515","791485","Present",NA,NA
+"7516","1,3-Bis(2-naphthylmethyl)-2-methyl-1H-benzoimidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazolium b...",NA,"CC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","YKUJXVDTZOENMP-UHFFFAOYSA-N",132547210,NA,"PDBC07516","790464","Present",NA,NA
+"7517","1,3-Bis(2-naphthylmethyl)-2-propyl-1H-benzoimidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(naphthalen-2-ylmethyl)-2-propylbenzimidazolium b...",NA,"CCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","AHNZERGAAJZMNG-UHFFFAOYSA-N",132547212,NA,"PDBC07517","791107","Present",NA,NA
+"7518","1,3-Bis(2-naphthylmethyl)-4,5-diphenyl-1H-imidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(naphthalen-2-ylmethyl)-4,5-diphenylimidazolium b...",NA,"C1=CC=C(C=C1)C2=C([N+](=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5)C7=CC=CC=C7","GXMFVWDNDSTJJU-UHFFFAOYSA-N",132545055,NA,"PDBC07518","788913","Present",NA,NA
+"7519","1,3-Bis(2-naphthylmethyl)-5,6-dimethyl-1H-benzoimidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-dimethyl-1,3-bis(naphthalen-2-ylmethyl)benzimidazoli...",NA,"CC1=CC2=C(C=C1C)[N+](=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","MCFPTOIOYVREMS-UHFFFAOYSA-N",132547208,NA,"PDBC07519","790463","Present",NA,NA
+"7520","1,3-Bis(2-propynyl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis-(prop-2-inyl)-pyrido[2,3-d]pyrimidin-2,4-dione",NA,"C#CCN1C2=C(C=CC=N2)C(=O)N(C1=O)CC#C","PYGXOUYIJYGPMY-UHFFFAOYSA-N",363804,NA,"PDBC07520","629018","Present",NA,NA
+"7521","1,3-Bis(2-pyridyl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(2-pyridyl)pyrimidine-2,4-dione",NA,"C1=CC=NC(=C1)N2C=CC(=O)N(C2=O)C3=CC=CC=N3","BAYGYYLREWLJIT-UHFFFAOYSA-N",389072,NA,"PDBC07521","684711","Present",NA,NA
+"7522","1,3-Bis(2-quinolinylmethyl)-5,6-dimethyl-1H-benzoimidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-dimethyl-1,3-bis(quinolin-2-ylmethyl)benzimidazolium...",NA,"CC1=CC2=C(C=C1C)[N+](=CN2CC3=NC4=CC=CC=C4C=C3)CC5=NC6=CC=CC=C6C=C5","ADUCMDGDMBGGIC-UHFFFAOYSA-N",132547216,NA,"PDBC07522","790466","Present",NA,NA
+"7523","1,3-Bis(2-thienylcarbonyl)tetrahydro-2(1H)-pyrimidinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(2-thienylcarbonyl)tetrahydro-2(1H)-pyrimidinethione",NA,"C1CN(C(=S)N(C1)C(=O)C2=CC=CS2)C(=O)C3=CC=CS3","SOZPTFNWXAYALA-UHFFFAOYSA-N",391224,NA,"PDBC07523","690121","Present",NA,NA
+"7524","1,3-Bis(3,4-dichlorophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC35217///NSC766782",NA,"C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl","ZDPIZPXVHVYTOK-UHFFFAOYSA-N",95783,NA,"PDBC07524","35217///766782","Present",NA,NA
+"7525","1,3-Bis(3,5-dimethoxyphenyl)-1,3-propanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(3,5-dimethoxyphenyl)-1,3-propanedione",NA,"COC1=CC(=CC(=C1)C(=O)CC(=O)C2=CC(=CC(=C2)OC)OC)OC","IDUBITABPMAFNI-UHFFFAOYSA-N",375618,NA,"PDBC07525","655440","Present",NA,NA
+"7526","1,3-Bis(3-aminothiophen-2-yl)-5-butylthieno[3,4-c]pyrrole-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(3-aminothiophen-2-yl)-5-butylthieno[3,4-c]pyrrole-4,6-dione",NA,"CCCCN1C(=O)C2=C(SC(=C2C1=O)C3=C(C=CS3)N)C4=C(C=CS4)N","AOTFGWYTHGAPSJ-UHFFFAOYSA-N",396289,NA,"PDBC07526","701987","Present",NA,NA
+"7527","1,3-Bis(3-chlorophenyl)propane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-propanedione, 1,3-bis(3-chlorophenyl)- (9ci)",NA,"C1=CC(=CC(=C1)Cl)C(=O)CC(=O)C2=CC(=CC=C2)Cl","MGMNGNDIJHTGOF-UHFFFAOYSA-N",226782,NA,"PDBC07527","17550","Present",NA,NA
+"7528","1,3-Bis(3-chlorophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mClPU",NA,"C1=CC(=CC(=C1)Cl)NC(=O)NC2=CC(=CC=C2)Cl","HMOUVTOOMLBCPQ-UHFFFAOYSA-N",139410,NA,"PDBC07528","69625","Present",NA,NA
+"7529","1,3-Bis(3-fluoro-3,3-dinitro-propyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(3-fluoro-3,3-dinitro-propyl)urea",NA,"C(CNC(=O)NCCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F","HUASEIIZGIXOQW-UHFFFAOYSA-N",388361,NA,"PDBC07529","683256","Present",NA,NA
+"7530","1,3-Bis(3-hydroxy-2-methyl-3-phenylpropanoyl)-4,5-diphenylimidazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(3-hydroxy-2-methyl-3-phenylpropanoyl)-4,5-diphenylimidazolidin-2-one",NA,"CC(C(C1=CC=CC=C1)O)C(=O)N2C(C(N(C2=O)C(=O)C(C)C(C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5","VPYJTJAWJILYBY-UHFFFAOYSA-N",376198,NA,"PDBC07530","656733","Present",NA,NA
+"7531","1,3-Bis(3-hydroxy-2-methyl-3-phenylpropanoyl)octahydro-2H-benzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(3-hydroxy-2-methyl-3-phenylpropanoyl)octahydro-2H-benzimidazol-2-one",NA,"CC(C(C1=CC=CC=C1)O)C(=O)N2C3CCCCC3N(C2=O)C(=O)C(C)C(C4=CC=CC=C4)O","BCOSTXOXKZBHIP-UHFFFAOYSA-N",376197,NA,"PDBC07531","656732","Present",NA,NA
+"7532","1,3-Bis(3-methylisoquinolin-2-ium-2-yl)propan-2-ol;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(3-methylisoquinolin-2-ium-2-yl)propan-2-ol;bromide",NA,"CC1=CC2=CC=CC=C2C=[N+]1CC(C[N+]3=CC4=CC=CC=C4C=C3C)O.[Br-]","HDWJFOKPYBZWLD-UHFFFAOYSA-M",5351739,NA,"PDBC07532","34352","Present",NA,NA
+"7533","1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)benzene",NA,"CC1(COC(=N1)C2=CC(=CC=C2)C3=NC(CO3)(C)C)C","MUBZACKCHQIRSY-UHFFFAOYSA-N",395337,NA,"PDBC07533","699819","Present",NA,NA
+"7534","1,3-Bis(4-aminophenyl)adamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(4-aminophenyl)adamantane",NA,"C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)N)C5=CC=C(C=C5)N","LALHUWOVOZGIAW-UHFFFAOYSA-N",399967,NA,"PDBC07534","711119","Present",NA,NA
+"7535","1,3-Bis(4-bromophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(4-bromophenyl)thiourea",NA,"C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Br)Br","RQVXFYAPGIMASB-UHFFFAOYSA-N",3652630,NA,"PDBC07535","28608","Present",NA,NA
+"7536","1,3-Bis(4-chlorobenzyl)-2-(9-phenanthryl)hexahydropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(4-chlorobenzyl)-2-(phenanthren-9-yl)hexahydropyr...",NA,"C1CN(C(N(C1)CC2=CC=C(C=C2)Cl)C3=CC4=CC=CC=C4C5=CC=CC=C53)CC6=CC=C(C=C6)Cl","ILRCCCMLZKMQGT-UHFFFAOYSA-N",254860,NA,"PDBC07536","79563","Present",NA,NA
+"7537","1,3-Bis(4-chlorophenyl)-3-phenylpropan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(4-chlorophenyl)-3-phenylpropan-1-ol",NA,"C1=CC=C(C=C1)C(CC(C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)Cl","TVYRTICGBVJCSU-UHFFFAOYSA-N",402437,NA,"PDBC07537","716407","Present",NA,NA
+"7538","1,3-Bis(4-fluorobenzoyl)-2H-benzimidazole-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(4-fluorobenzoyl)-2H-benzimidazole-2-carbonitrile",NA,"C1=CC=C2C(=C1)N(C(N2C(=O)C3=CC=C(C=C3)F)C#N)C(=O)C4=CC=C(C=C4)F","OHBVJNDFWZIINQ-UHFFFAOYSA-N",387704,NA,"PDBC07538","681733","Present",NA,NA
+"7539","1,3-Bis(4-methoxyphenyl)-2,8-dithioxo-7,9-dihydropurin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(4-methoxyphenyl)-2,8-dithioxo-7,9-dihydropurin-6-one",NA,"COC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=C(C=C4)OC)NC(=S)N3","YPDJENYJTBLSFD-UHFFFAOYSA-N",3005265,NA,"PDBC07539","687727","Present",NA,NA
+"7540","1,3-Bis(4-methoxyphenyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(4-methoxyphenyl)-2-thioxo-1,2,3,7-tetrahydro-6H-purin-6-one",NA,"COC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=C(C=C4)OC)NC=N3","TWHUKSRQQPUDAA-UHFFFAOYSA-N",390383,NA,"PDBC07540","687725","Present",NA,NA
+"7541","1,3-Bis(4-methyl-1,3-thiazol-2-yl)-2-(2-morpholin-4-ylethyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(4-methyl-1,3-thiazol-2-yl)-2-[2-(morpholin-4-yl)ethyl]guanidine",NA,"CC1=CSC(=N1)NC(=NCCN2CCOCC2)NC3=NC(=CS3)C","PQBDFTJWAIRXGD-UHFFFAOYSA-N",360532,NA,"PDBC07541","622667","Present",NA,NA
+"7542","1,3-Bis(4-quinolyl)-2-(2,5-dimethoxyphenyl)propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(4-quinolyl)-2-(2,5-dimethoxyphenyl)propane",NA,"COC1=CC(=C(C=C1)OC)C(CC2=CC=NC3=CC=CC=C23)CC4=CC=NC5=CC=CC=C45","VWXFLVJKLMLMEG-UHFFFAOYSA-N",378782,NA,"PDBC07542","661957","Present",NA,NA
+"7543","1,3-Bis(5,6-dihydroxy-2-naphthalenecarboxamido)propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(5,6-dihydroxy-2-naphthalenecarboxamido)propane",NA,"C1=CC2=C(C=CC(=C2O)O)C=C1C(=O)NCCCNC(=O)C3=CC4=C(C=C3)C(=C(C=C4)O)O","BQROATPHCLGYEJ-UHFFFAOYSA-N",390998,NA,"PDBC07543","689404","Present",NA,NA
+"7544","1,3-Bis(5,6-dimethoxy-2-naphthalenecarboxamido)propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(5,6-dimethoxy-2-naphthalenecarboxamido)propane",NA,"COC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NCCCNC(=O)C3=CC4=C(C=C3)C(=C(C=C4)OC)OC)OC","NACSYYRNSZHXNL-UHFFFAOYSA-N",391009,NA,"PDBC07544","689417","Present",NA,NA
+"7545","1,3-Bis(6,7-dimethoxy-2-naphthalenecarboxamido)propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(6,7-dimethoxy-2-naphthalenecarboxamido)propane",NA,"COC1=C(C=C2C=C(C=CC2=C1)C(=O)NCCCNC(=O)C3=CC4=CC(=C(C=C4C=C3)OC)OC)OC","NRGIHWUBMXHLNA-UHFFFAOYSA-N",387002,NA,"PDBC07545","680315","Present",NA,NA
+"7546","1,3-Bis(6,7-hydroxy-2-naphthalenecarboxamido)propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(6,7-hydroxy-2-naphthalenecarboxamido)propane",NA,"C1=CC(=CC2=CC(=C(C=C21)O)O)C(=O)NCCCNC(=O)C3=CC4=CC(=C(C=C4C=C3)O)O","ALWHTIREUNWMMD-UHFFFAOYSA-N",387006,NA,"PDBC07546","680319","Present",NA,NA
+"7547","1,3-Bis(6-methoxy-2-naphthalenecarboxamido)propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(6-methoxy-2-naphthalenecarboxamido)propane",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)NCCCNC(=O)C3=CC4=C(C=C3)C=C(C=C4)OC","KBKKDVJPBSYMDW-UHFFFAOYSA-N",387000,NA,"PDBC07547","680313","Present",NA,NA
+"7548","1,3-Bis(7-chloroquinolin-4-ylamino)propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(7-chloroquinolin-4-ylamino)propan-2-ol",NA,"C1=CC2=C(C=CN=C2C=C1Cl)NCC(CNC3=C4C=CC(=CC4=NC=C3)Cl)O","ALJKMVZFTOFZCQ-UHFFFAOYSA-N",221231,NA,"PDBC07548","5485","Present",NA,NA
+"7549","1,3-Bis(cyclohexylideneamino)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(cyclohexylideneamino)urea",NA,"C1CCC(=NNC(=O)NN=C2CCCCC2)CC1","LFEPNCLITCQCAU-UHFFFAOYSA-N",381047,NA,"PDBC07549","667066","Present",NA,NA
+"7550","1,3-Bis(naphthalen-2-ylmethyl)-2-phenylimidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(naphthalen-2-ylmethyl)-2-phenylimidazolium bromide",NA,"C1=CC=C(C=C1)C2=[N+](C=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","WHLQLQBRQRQXMO-UHFFFAOYSA-N",134143455,NA,"PDBC07550","790461","Present",NA,NA
+"7551","1,3-Bis(naphthalen-2-ylmethyl)-2-propylimidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(naphthalen-2-ylmethyl)-2-propylimidazolium bromide",NA,"CCCC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","VMPJGLOMFGNJMH-UHFFFAOYSA-N",137628967,NA,"PDBC07551","790459","Present",NA,NA
+"7552","1,3-Bis(naphthalen-2-ylmethyl)imidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide",NA,"C1=CC=C2C=C(C=CC2=C1)CN3C=C[N+](=C3)CC4=CC5=CC=CC=C5C=C4","MRYKHZPXQWUCDY-UHFFFAOYSA-N",46185647,NA,"PDBC07552","788911","Present",NA,NA
+"7553","1,3-Bis(o-tolyl)-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(o-tolyl)-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one",NA,"CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3C5CCCO5","ZJVYHEIWKNMKTK-UHFFFAOYSA-N",387938,NA,"PDBC07553","682243","Present",NA,NA
+"7554","1,3-Bis(prop-2-ynyl)quinazoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(prop-2-inyl)-quinazolin-2,4-(1H,3H)-dione",NA,"C#CCN1C2=CC=CC=C2C(=O)N(C1=O)CC#C","YYQPTCSSUWHYOB-UHFFFAOYSA-N",378826,NA,"PDBC07554","662144","Present",NA,NA
+"7555","1,3-Bis[(2-chlorophenyl)methyl]-5-[1-[[(1R)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(2-chlorophenyl)methyl]-5-[1-[[(1R)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione",NA,"C=CCC(C1=CN(C(=O)N(C1=O)CC2=CC=CC=C2Cl)CC3=CC=CC=C3Cl)NC(CO)C4=CC=CC=C4","RGCWMUIONDSNMA-CPRJBALCSA-N",24205358,NA,"PDBC07555","735307","Present",NA,NA
+"7556","1,3-Bis[(2-chlorophenyl)methyl]-5-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(2-chlorophenyl)methyl]-5-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]pyrimidine-2,4-dione",NA,"C=CCC(C1=CN(C(=O)N(C1=O)CC2=CC=CC=C2Cl)CC3=CC=CC=C3Cl)NC(CO)C4=CC=CC=C4","RGCWMUIONDSNMA-PLYLYKGUSA-N",24205357,NA,"PDBC07556","735306","Present",NA,NA
+"7557","1,3-Bis[(2R,5R,6R)-6-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(2R,5R,6R)-6-(1,3-dioxoisoindol-2-yl)-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptan-2-yl]urea",NA,"CC1(C(N2CC(C2S1)N3C(=O)C4=CC=CC=C4C3=O)NC(=O)NC5C(SC6N5CC6N7C(=O)C8=CC=CC=C8C7=O)(C)C)C","FWTMQQPVXHJRFT-WUFZQGJCSA-N",277769,NA,"PDBC07557","126778","Present",NA,NA
+"7558","1,3-Bis[(E)-(2,4,5-trimethoxyphenyl)methyleneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(E)-(2,4,5-trimethoxyphenyl)methyleneamino]urea",NA,"COC1=CC(=C(C=C1C=NNC(=O)NN=CC2=CC(=C(C=C2OC)OC)OC)OC)OC","COBHFOZCUGMGOE-LCHFAGMQSA-N",9555306,NA,"PDBC07558","292927","Present",NA,NA
+"7559","1,3-Bis[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(E)-(2-ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine",NA,"CCOC1=CC=CC=C1C=NNC(=NN=CC2=CC=CC=C2OCC)NN=CC3=CC=CC=C3OCC","GPCZJBXGTLTMBP-QYGJAIEKSA-N",54599024,NA,"PDBC07559","68156","Present",NA,NA
+"7560","1,3-Bis[(E)-(2-methoxyphenyl)methylideneamino]-2-[(Z)-(2-methoxyphenyl)methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(E)-(2-methoxyphenyl)methylideneamino]-2-[(Z)-(2-methoxyphenyl)methylideneamino]guanidine",NA,"COC1=CC=CC=C1C=NNC(=NN=CC2=CC=CC=C2OC)NN=CC3=CC=CC=C3OC","SKDKPMWRWWHHRD-ZOIJIARLSA-N",54612072,NA,"PDBC07560","69554","Present",NA,NA
+"7561","1,3-Bis[(E)-(4-bromophenyl)methyleneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(E)-(4-bromophenyl)methyleneamino]urea",NA,"C1=CC(=CC=C1C=NNC(=O)NN=CC2=CC=C(C=C2)Br)Br","HOVJSLVQBXFGGS-VNIJRHKQSA-N",9571579,NA,"PDBC07561","683856","Present",NA,NA
+"7562","1,3-Bis[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(E)-(5-bromo-2-hydroxy-phenyl)methyleneamino]urea",NA,"C1=CC(=C(C=C1Br)C=NNC(=O)NN=CC2=C(C=CC(=C2)Br)O)O","UXBYQJIQRYVDEN-NDILIQOGSA-N",135429959,NA,"PDBC07562","626628","Present",NA,NA
+"7563","1,3-Bis[(E)-1-pyridin-2-ylethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673827",NA,"CC(=NNC(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2","UBBOXIBGRVPYES-GDAWTGGTSA-N",5466066,NA,"PDBC07563","673827","Present",NA,NA
+"7564","1,3-Bis[(E)-1-pyridin-2-ylethylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673828",NA,"CC(=NNC(=O)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2","CBUHUPNGOTYTLJ-GDAWTGGTSA-N",5466067,NA,"PDBC07564","673828","Present",NA,NA
+"7565","1,3-Bis[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(E)-[2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)C=NNC(=N)NN=CC4=C(N=C5N4C=C(S5)Cl)C6=CC(=C(C=C6OC)[N+](=O)[O-])OC)OC)[N+](=O)[O-].Cl","WZISMQIHUCUIJG-WBKVQKAISA-N",135580407,NA,"PDBC07565","734184","Present",NA,NA
+"7566","1,3-Bis[(E)-cinnamyl]-2-thioxo-pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(E)-cinnamyl]-2-thioxo-pyrimidin-4-one",NA,"C1=CC=C(C=C1)C=CCN2C=CC(=O)N(C2=S)CC=CC3=CC=CC=C3","LMJDRRZKQIAUGW-FNCQTZNRSA-N",5468994,NA,"PDBC07566","681075","Present",NA,NA
+"7567","1,3-Bis[(E)-dimethylsulfamoyliminomethyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(E)-dimethylsulfamoyliminomethyl]benzene",NA,"CN(C)S(=O)(=O)N=CC1=CC(=CC=C1)C=NS(=O)(=O)N(C)C","YVEUTFCURGCAEP-UTLPMFLDSA-N",9572083,NA,"PDBC07567","702422","Present",NA,NA
+"7568","1,3-Bis[(Z)-[(E)-1-(4-chlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(Z)-[(E)-1-(4-chlorophenyl)-4,4-dimethyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride",NA,"CC(C)(CN1CCCCC1)C(=NNC(=O)NN=C(C=CC2=CC=C(C=C2)Cl)C(C)(C)CN3CCCCC3)C=CC4=CC=C(C=C4)Cl.Cl","VUKIXGDYBZEWSX-WBBKZSMVSA-N",6519178,NA,"PDBC07568","681135","Present",NA,NA
+"7569","1,3-Bis[(Z)-[(E)-4,4-dimethyl-1-phenyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[(Z)-[(E)-4,4-dimethyl-1-phenyl-5-piperidin-1-ylpent-1-en-3-ylidene]amino]urea;hydrochloride",NA,"CC(C)(CN1CCCCC1)C(=NNC(=O)NN=C(C=CC2=CC=CC=C2)C(C)(C)CN3CCCCC3)C=CC4=CC=CC=C4.Cl","JRPAYIBHGNZKTJ-ITDBCYDBSA-N",6519176,NA,"PDBC07569","681134","Present",NA,NA
+"7570","1,3-Bis[2-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[2-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]urea",NA,"C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)NC5=CC6=C(C=C5)NC(=C6)C(=O)N7CC(C8=C7C=C(C9=CC=CC=C98)[N+](=O)[O-])CCl)C=C(C1=CC=CC=C12)[N+](=O)[O-])CCl","FSSMHHIZSUYNCB-UHFFFAOYSA-N",4400021,NA,"PDBC07570","700641","Present",NA,NA
+"7571","1,3-Bis[2-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[2-[5-amino-1-(chloromethyl)1,2-dihydrobenzo[e]indole-3-carbonyl]-1h-indol-5-yl]urea",NA,"C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)NC5=CC6=C(C=C5)NC(=C6)C(=O)N7CC(C8=C7C=C(C9=CC=CC=C98)N)CCl)C=C(C1=CC=CC=C12)N)CCl","MHWKSYHMRXRKFJ-UHFFFAOYSA-N",396192,NA,"PDBC07571","701743","Present",NA,NA
+"7572","1,3-Bis[3-(1-piperidin-1-ylcyclohexyl)phenyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[3-(1-piperidin-1-ylcyclohexyl)phenyl]thiourea",NA,"C1CCC(CC1)(C2=CC(=CC=C2)NC(=S)NC3=CC=CC(=C3)C4(CCCCC4)N5CCCCC5)N6CCCCC6","SLZBNDXHHFHIET-UHFFFAOYSA-N",5471064,NA,"PDBC07572","708072","Present",NA,NA
+"7573","1,3-Bis[4-(1H-benzimidazol-2-yl)phenyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N' Bis{2-(4-phenylene)benzimidazole}thiourea",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","AKZHWPFIZJUYJK-UHFFFAOYSA-N",24202654,NA,"PDBC07573","725658","Present",NA,NA
+"7574","1,3-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane",NA,"C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=CC(=C(C=C5)N)O)C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O","GZCBJBVZOBEEQS-UHFFFAOYSA-N",397910,NA,"PDBC07574","706835","Present",NA,NA
+"7575","1,3-Bis[4-(4-aminophenoxy)phenyl]adamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[4-(4-aminophenoxy)phenyl]adamantane",NA,"C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=CC=C(C=C5)N)C6=CC=C(C=C6)OC7=CC=C(C=C7)N","IJRQWQGZNCDRLF-UHFFFAOYSA-N",397908,NA,"PDBC07575","706833","Present",NA,NA
+"7576","1,3-Bis[5-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methylpyrazol-3-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[5-[1-(chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methyl-pyrazol-3-yl]urea",NA,"CN1C(=CC(=N1)C(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)[N+](=O)[O-])CCl)NC(=O)NC5=CC(=NN5C)C(=O)N6CC(C7=C6C=C(C8=CC=CC=C87)[N+](=O)[O-])CCl","QNMREJCPAUCHMX-UHFFFAOYSA-N",395798,NA,"PDBC07576","700642","Present",NA,NA
+"7577","1,3-Bis[5-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methylpyrazol-3-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[5-[5-amino-1-(chloromethyl)1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methyl-pyrazol-3-yl]urea",NA,"CN1C(=CC(=N1)C(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl)NC(=O)NC5=CC(=NN5C)C(=O)N6CC(C7=C6C=C(C8=CC=CC=C87)N)CCl","NVDGQLMNXXSKEI-UHFFFAOYSA-N",396193,NA,"PDBC07577","701744","Present",NA,NA
+"7578","1,3-Bis[[4-(1-adamantyl)-3-hydroxyphenyl]methyl]-5-fluoropyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[[4-(1-adamantyl)-3-hydroxyphenyl]methyl]-5-fluoropyrimidine-2,4-dione",NA,"C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=C(C(=O)N(C5=O)CC6=CC(=C(C=C6)C78CC9CC(C7)CC(C9)C8)O)F)O","GIWBLCSZLREDPG-UHFFFAOYSA-N",45027977,NA,"PDBC07578","740413","Present",NA,NA
+"7579","1,3-Butadiene-1,1-diamine, 4-chloro-N1,N1-bis(2,4-dimethylphenyl)-2,4-dinitro-, (3Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Butadiene-1,1-diamine, 4-chloro-N1,N1-bis(2,4-dimethylphenyl)-2,4-dinitro-, (3Z)-",NA,"CC1=CC(=C(C=C1)NC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])NC2=C(C=C(C=C2)C)C)C","HONRPGCBNDNNAV-YBFXNURJSA-N",5971834,NA,"PDBC07579","673141","Present",NA,NA
+"7580","1,3-Cyclobutanedithione, 2,2,4,4-tetramethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Cyclobutanedithione, 2,2,4,4-tetramethyl-",NA,"CC1(C(=S)C(C1=S)(C)C)C","WHXVCQHNIQHNMM-UHFFFAOYSA-N",139102,NA,"PDBC07580","361243","Present",NA,NA
+"7581","1,3-Cyclohexanedione, 2-[(2,6-dioxocyclohexyl)methyl]-5,5-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Cyclohexanedione, 2-[(2,6-dioxocyclohexyl)methyl]-5,5-dimethyl-",NA,"CC1(CC(=O)C(C(=O)C1)CC2C(=O)CCCC2=O)C","WUXYAFPKNLJIIM-UHFFFAOYSA-N",372141,NA,"PDBC07581","647095","Present",NA,NA
+"7582","1,3-Di(1H-pyrazol-4-yl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-0110392",NA,"C1=CC(=CC(=C1)C2=CNN=C2)C3=CNN=C3","GSRYHHVNYJOBBE-UHFFFAOYSA-N",361746,NA,"PDBC07582","625012","Present",NA,NA
+"7583","1,3-Di(2-furoyl)tetrahydro-2(1H)-pyrimidinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Di(2-furoyl)tetrahydro-2(1H)-pyrimidinethione",NA,"C1CN(C(=S)N(C1)C(=O)C2=CC=CO2)C(=O)C3=CC=CO3","HUZXVVNHWRZYPD-UHFFFAOYSA-N",391223,NA,"PDBC07583","690120","Present",NA,NA
+"7584","1,3-Di(2-phenoxyethyl)-5-(2-methylphenylamino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Di(2-phenoxyethyl)-5-(2-methylphenylamino)uracil",NA,"CC1=CC=CC=C1NC2=CN(C(=O)N(C2=O)CCOC3=CC=CC=C3)CCOC4=CC=CC=C4","JTRDAAUWAHJVSQ-UHFFFAOYSA-N",395056,NA,"PDBC07584","699245","Present",NA,NA
+"7585","1,3-Di(2-phenoxyethyl)-5-(3-methylphenylamino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Di(2-phenoxyethyl)-5-(3-methylphenylamino)uracil",NA,"CC1=CC(=CC=C1)NC2=CN(C(=O)N(C2=O)CCOC3=CC=CC=C3)CCOC4=CC=CC=C4","OGAHEIVYTBLGBU-UHFFFAOYSA-N",395058,NA,"PDBC07585","699247","Present",NA,NA
+"7586","1,3-Di(2-phenoxyethyl)-5-(phenylamino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Di(2-phenoxyethyl)-5-(phenylamino)uracil",NA,"C1=CC=C(C=C1)NC2=CN(C(=O)N(C2=O)CCOC3=CC=CC=C3)CCOC4=CC=CC=C4","XLNCLVDQZABSTJ-UHFFFAOYSA-N",395055,NA,"PDBC07586","699244","Present",NA,NA
+"7587","1,3-Di-6-quinolylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"babesan",NA,"C1=CC2=C(C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)N=CC=C4)N=C1","MJNIRKGFUIUCQO-UHFFFAOYSA-N",68281,NA,"PDBC07587","71881","Present",NA,NA
+"7588","1,3-Di-o-tolylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dotg",NA,"CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)N","OPNUROKCUBTKLF-UHFFFAOYSA-N",7333,NA,"PDBC07588","473","Present",NA,NA
+"7589","1,3-Diacetyl-2-(5-(1,3-diacetyl-2,3-dihydro-1H-benzimidazol-2-yl)-1H-pyrrol-2-yl)-2,3-dihydro-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-Acetyl-2-[5-(1,3-diacetyl-2H-benzimidazol-2-yl)-1H-pyrrol-2-yl]-2H-benzimidazol-1-yl]ethanone",NA,"CC(=O)N1C(N(C2=CC=CC=C21)C(=O)C)C3=CC=C(N3)C4N(C5=CC=CC=C5N4C(=O)C)C(=O)C","ZFYNBVLUAWWQRJ-UHFFFAOYSA-N",361883,NA,"PDBC07589","625228","Present",NA,NA
+"7590","1,3-Diamino-5-methylphenazinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sn 967",NA,"C[N+]1=C2C=C(C=C(C2=NC3=CC=CC=C31)N)N.[Cl-]","ULNMZMBBJRBGLM-UHFFFAOYSA-N",14132,NA,"PDBC07590","33419","Present",NA,NA
+"7591","1,3-Diaminopropan-2-ol;2,3,4,5,6-pentachlorophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diaminopropan-2-ol;2,3,4,5,6-pentachlorophenol",NA,"C(C(CN)O)N.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O","IPPHEMKWEPRJKI-UHFFFAOYSA-N",253981,NA,"PDBC07591","77554","Present",NA,NA
+"7592","1,3-Diazaspiro[4.6]undecane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669779",NA,"C1CCCC2(CC1)C(=O)NC(=O)N2","DEXMKKYRTKSOCW-UHFFFAOYSA-N",229298,NA,"PDBC07592","669779","Present",NA,NA
+"7593","1,3-Diazepane-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diazepane-2,5-dione",NA,"C1CNC(=O)NCC1=O","DOJDYQPYAOEMAG-UHFFFAOYSA-N",331378,NA,"PDBC07593","323231","Present",NA,NA
+"7594","1,3-Diazido-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCRIS 3912",NA,"C(C(CN=[N+]=[N-])O)N=[N+]=[N-]","MNVPEHHHGCEGFZ-UHFFFAOYSA-N",151367,NA,"PDBC07594","30408","Present",NA,NA
+"7595","1,3-Dibenzoyl-2-methyl-2,3-dihydro-1H-benzimidazole-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzoyl-2-methyl-2,3-dihydro-1H-benzimidazole-2-carbonitrile",NA,"CC1(N(C2=CC=CC=C2N1C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N","MQEFBVUAOPDQPO-UHFFFAOYSA-N",384261,NA,"PDBC07595","673807","Present",NA,NA
+"7596","1,3-Dibenzoylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631642",NA,"C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)C(=O)C3=CC=CC=C3","MJQHDSIEDGPFAM-UHFFFAOYSA-N",77388,NA,"PDBC07596","631642","Present",NA,NA
+"7597","1,3-Dibenzyl-1,3-dihydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzyl-1,3-dihydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,"C1=CC=C(C=C1)CN2C3=C(C(=O)NC3=O)N(C2=O)CC4=CC=CC=C4","MGFIMCFURALMFZ-UHFFFAOYSA-N",369307,NA,"PDBC07597","641061","Present",NA,NA
+"7598","1,3-Dibenzyl-3a,4,6,6a-tetrahydrothieno[3,4-d]imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzyltetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one",NA,"C1C2C(CS1)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4","XOBCWQNPTJKLRJ-UHFFFAOYSA-N",392715,NA,"PDBC07598","693433","Present",NA,NA
+"7599","1,3-Dibenzyl-4,5-diphenyl-2H-imidazol-2-ide;gold(1+);(2S,4R,5R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-Dibenzyl-4,5-diphenyl-imidazol-2-ylidene) gold(I)-(...",NA,"CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[CH-]1N(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Au+]","CSRFYMKBBCKSKH-VEWCFQQUSA-M",155816249,NA,"PDBC07599","778654","Present",NA,NA
+"7600","1,3-Dibenzyl-4,5-diphenyl-2H-imidazol-2-ide;gold(1+);3,4,5-triacetyloxy-6-(acetyloxymethyl)oxane-2-thiolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-dibenzyl-4,5-diphenyl-imidazol-2-ylidene gold(I) 2',...///NSC800018",NA,"CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[CH-]1N(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Au+]","CSRFYMKBBCKSKH-UHFFFAOYSA-M",155815080,NA,"PDBC07600","791326///800018","Present",NA,NA
+"7601","1,3-Dibenzyl-4,5-diphenyl-2H-imidazol-2-ide;gold(1+);thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) th...",NA,"[CH-]1N(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.C(#N)[S-].[Au+]","ZJCYQSOWEXKXBB-UHFFFAOYSA-M",155811015,NA,"PDBC07601","791197","Present",NA,NA
+"7602","1,3-Dibenzyl-5-((phenylsulfonyl)oxy)tetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzyl-5-((phenylsulfonyl)oxy)tetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,"C1=CC=C(C=C1)CN2C3C(C(=O)N(C3=O)OS(=O)(=O)C4=CC=CC=C4)N(C2=O)CC5=CC=CC=C5","ZNQXPIBRCRGKBW-UHFFFAOYSA-N",365908,NA,"PDBC07602","634029","Present",NA,NA
+"7603","1,3-Dibenzyl-5-(carbamoylamino)-2-oxoimidazolidine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzyl-5-(carbamoylamino)-2-oxoimidazolidine-4-carboxamide",NA,"C1=CC=C(C=C1)CN2C(C(N(C2=O)CC3=CC=CC=C3)NC(=O)N)C(=O)N","BLYMWRSCLIWUIL-UHFFFAOYSA-N",368267,NA,"PDBC07603","638723","Present",NA,NA
+"7604","1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-morpholinopropyl)amino]pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-morpholinopropyl)amino]pyrimidine-2,4(1H,3H)-dione",NA,"C1COCCN1CC(CNC2=C(C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)O","DJTLOPKCJKXUQN-UHFFFAOYSA-N",11628216,NA,"PDBC07604","735029","Present",NA,NA
+"7605","1,3-Dibenzyl-5-benzoyl-6-[(2-hydroxy-3-pyrrolizinopropyl)amino]pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzoyl-1,3-dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione",NA,"C1CCN(C1)CC(CNC2=C(C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)O","VMHYHABHEHQWJM-UHFFFAOYSA-N",11599109,NA,"PDBC07605","735032","Present",NA,NA
+"7606","1,3-Dibenzyl-5-hydroxytetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzyl-5-hydroxytetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,"C1=CC=C(C=C1)CN2C3C(C(=O)N(C3=O)O)N(C2=O)CC4=CC=CC=C4","PNWCGRZCAGUPRZ-UHFFFAOYSA-N",365906,NA,"PDBC07606","634027","Present",NA,NA
+"7607","1,3-Dibenzyl-6-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzyl-6-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]pyrimidine-2,4-dione",NA,"C1COCCN1CC(CNC2=CC(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)O","KDGPZSQYNQKUNC-UHFFFAOYSA-N",11532496,NA,"PDBC07607","735028","Present",NA,NA
+"7608","1,3-Dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzyl-6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-2,4-dione",NA,"C1CCN(C1)CC(CNC2=CC(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)O","HAJHEWRQJQZOMA-UHFFFAOYSA-N",11683496,NA,"PDBC07608","735030","Present",NA,NA
+"7609","1,3-Dibenzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,"C1=CC=C(C=C1)CN2C3C(C(=O)NC3=O)N(C2=O)CC4=CC=CC=C4","ASZIFAJFLZLKOH-UHFFFAOYSA-N",365905,NA,"PDBC07609","634026","Present",NA,NA
+"7610","1,3-Dibromo-5,5-dihydroxy-4H-cyclopenta[c]thiophene-4,6(5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibromo-5,5-dihydroxy-cyclopenta[c]thiophene-4,6-dione",NA,"C12=C(SC(=C1C(=O)C(C2=O)(O)O)Br)Br","CPYBQJIFYCVZDC-UHFFFAOYSA-N",399789,NA,"PDBC07610","710884","Present",NA,NA
+"7611","1,3-Dibromo-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibromo-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diamine hydrochloride",NA,"C1C(C2=C(SC(=C2C1N)Br)Br)N.Cl","XFSGDQCOXWFDLR-UHFFFAOYSA-N",396935,NA,"PDBC07611","704118","Present",NA,NA
+"7612","1,3-Dibromo-5-(dimethylaminomethylidene)cyclopenta[c]thiophene-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibromo-5-(dimethylaminomethylene)cyclopenta[c]thiophene-4,6-dione",NA,"CN(C)C=C1C(=O)C2=C(SC(=C2C1=O)Br)Br","DNTYPWIBBFUMAJ-UHFFFAOYSA-N",399787,NA,"PDBC07612","710882","Present",NA,NA
+"7613","1,3-Dibromo-5-butylthieno[3,4-c]pyrrole-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibromo-5-butylthieno[3,4-c]pyrrole-4,6-dione",NA,"CCCCN1C(=O)C2=C(SC(=C2C1=O)Br)Br","QIEDHDBRHPTGIL-UHFFFAOYSA-N",396288,NA,"PDBC07613","701986","Present",NA,NA
+"7614","1,3-Dibromo-5-hydroxy-5-(2-oxopropyl)cyclopenta[c]thiophene-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetonyl-1,3-dibromo-5-hydroxy-cyclopenta[c]thiophene-4,6-dione",NA,"CC(=O)CC1(C(=O)C2=C(SC(=C2C1=O)Br)Br)O","ZWWROTGNUHHHHR-UHFFFAOYSA-N",399788,NA,"PDBC07614","710883","Present",NA,NA
+"7615","1,3-Dibromo-6-[3-[(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)amino]propylamino]-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-dibromo-6-[3-[(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)amino]propylamino]-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1C(C2=C(SC(=C2C1=O)Br)Br)NCCCNC3CC(=O)C4=C(SC(=C34)Br)Br","XJPIHZDMMXEDHA-UHFFFAOYSA-N",397156,NA,"PDBC07615","704557","Present",NA,NA
+"7616","1,3-Dibromo-6-ethoxy-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibromo-6-ethoxy-5,6-dihydro-4h-cyclopenta[c]thiophen-4-one",NA,"CCOC1CC(=O)C2=C(SC(=C12)Br)Br","IZFVJTVELYDAAU-UHFFFAOYSA-N",400220,NA,"PDBC07616","711738","Present",NA,NA
+"7617","1,3-Dibromo-6-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibromo-6-hydroxy-5,6-dihydro-4H-cyclopenta[c]thiophene-4-one",NA,"C1C(C2=C(SC(=C2C1=O)Br)Br)O","LHDVRMUFRJUZPP-UHFFFAOYSA-N",400221,NA,"PDBC07617","711739","Present",NA,NA
+"7618","1,3-Dibromo-6-pyrrol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibromo-6-pyrrol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1C(C2=C(SC(=C2C1=O)Br)Br)N3C=CC=C3","JGLVULMZOHSVQE-UHFFFAOYSA-N",398914,NA,"PDBC07618","709148","Present",NA,NA
+"7619","1,3-Dibromocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibromo-4h-cyclopenta[c]thiophen-4-one",NA,"C1=CC(=O)C2=C(SC(=C21)Br)Br","OQUIRJRSMXEUAH-UHFFFAOYSA-N",400222,NA,"PDBC07619","711740","Present",NA,NA
+"7620","1,3-Dibromocyclopenta[c]thiophene-4,5,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibromocyclopenta[c]thiophene-4,5,6-trione",NA,"C12=C(SC(=C1C(=O)C(=O)C2=O)Br)Br","LUVSHGACZRVPQQ-UHFFFAOYSA-N",399791,NA,"PDBC07620","710886","Present",NA,NA
+"7621","1,3-Dibutyl-2,4-dihydropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibutyl-1,2,3,4-tetrahydropyrimidine",NA,"CCCCN1CC=CN(C1)CCCC","QVVFVOPHFQHDCU-UHFFFAOYSA-N",226446,NA,"PDBC07621","16857","Present",NA,NA
+"7622","1,3-Dichloro-1,1,3,3-tetrafluoro-2-(2-quinolinylmethyl)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-1,1,3,3-tetrafluoro-2-(2-quinolinylmethyl)-2-propanol",NA,"C1=CC=C2C(=C1)C=CC(=N2)CC(C(F)(F)Cl)(C(F)(F)Cl)O","OQFVYBMVGOSBNB-UHFFFAOYSA-N",377651,NA,"PDBC07622","659231","Present",NA,NA
+"7623","1,3-Dichloro-2-(3,4-dichlorophenyl)-5,6-dimethoxy-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-2-(3,4-dichlorophenyl)-5,6-dimethoxy-1H-indene",NA,"COC1=C(C=C2C(=C1)C(C(=C2Cl)C3=CC(=C(C=C3)Cl)Cl)Cl)OC","RGNHAZPGYSYMHQ-UHFFFAOYSA-N",360783,NA,"PDBC07623","623164","Present",NA,NA
+"7624","1,3-Dichloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-indene",NA,"COC1=C(C=C(C=C1)C2=C(C3=CC(=C(C=C3C2Cl)OC)OC)Cl)OC","USJDNYYDOAJQEU-UHFFFAOYSA-N",358221,NA,"PDBC07624","618122","Present",NA,NA
+"7625","1,3-Dichloro-2-(4-chlorophenyl)-5,6-dimethoxy-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-2-(4-chlorophenyl)-5,6-dimethoxy-1H-indene",NA,"COC1=C(C=C2C(=C1)C(C(=C2Cl)C3=CC=C(C=C3)Cl)Cl)OC","BURBDTYLYNEQGN-UHFFFAOYSA-N",360789,NA,"PDBC07625","623170","Present",NA,NA
+"7626","1,3-Dichloro-2-(4-ethoxyphenyl)-5,6-dimethoxy-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-2-(4-ethoxyphenyl)-5,6-dimethoxy-1H-indene",NA,"CCOC1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3C2Cl)OC)OC)Cl","LUEUMZMLQMFQKP-UHFFFAOYSA-N",360788,NA,"PDBC07626","623169","Present",NA,NA
+"7627","1,3-Dichloro-2-(4-fluorophenyl)-5,6-dimethoxy-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-2-(4-fluorophenyl)-5,6-dimethoxy-1H-indene",NA,"COC1=C(C=C2C(=C1)C(C(=C2Cl)C3=CC=C(C=C3)F)Cl)OC","YISDENDIROCIBC-UHFFFAOYSA-N",360786,NA,"PDBC07627","623167","Present",NA,NA
+"7628","1,3-Dichloro-2-[(E)-2-nitroethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Styrene, 2,6-dichloro-.beta.-nitro-",NA,"C1=CC(=C(C(=C1)Cl)C=C[N+](=O)[O-])Cl","VXNHQIKJDIOBEC-SNAWJCMRSA-N",5369223,NA,"PDBC07628","122864","Present",NA,NA
+"7629","1,3-Dichloro-4,6-dinitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-dichloro-2,4-dinitrobenzene",NA,"C1=C(C(=CC(=C1[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]","ZPXDNSYFDIHPOJ-UHFFFAOYSA-N",77286,NA,"PDBC07629","28971","Present",NA,NA
+"7630","1,3-Dichloro-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-5,6-dihydro-4H-cyclopenta[c]thiophene-4,6-diol",NA,"C1C(C2=C(SC(=C2C1O)Cl)Cl)O","NLWVTMQFKGCHHN-UHFFFAOYSA-N",396946,NA,"PDBC07630","704127","Present",NA,NA
+"7631","1,3-Dichloro-5,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-5,6-dimethoxy-2-(3,4,5-trimethoxyphenyl)-1H-indene",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C3=CC(=C(C=C3C2Cl)OC)OC)Cl","GHIQGZFHWQYERP-UHFFFAOYSA-N",360787,NA,"PDBC07631","623168","Present",NA,NA
+"7632","1,3-Dichloro-5,6-dimethoxy-2-(4-methoxyphenyl)-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-5,6-dimethoxy-2-(4-methoxyphenyl)-1H-indene",NA,"COC1=CC=C(C=C1)C2=C(C3=CC(=C(C=C3C2Cl)OC)OC)Cl","WKDRHEQPUCIDRZ-UHFFFAOYSA-N",360784,NA,"PDBC07632","623165","Present",NA,NA
+"7633","1,3-Dichloro-5-isopropylidene-cyclopenta[c]thiophene-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-5-isopropylidene-cyclopenta[c]thiophene-4,6-dione",NA,"CC(=C1C(=O)C2=C(SC(=C2C1=O)Cl)Cl)C","AJWRJROHZJZLAY-UHFFFAOYSA-N",396945,NA,"PDBC07633","704126","Present",NA,NA
+"7634","1,3-Dichloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-6-(4-methylpiperazin-1-yl)-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"CN1CCN(CC1)C2CC(=O)C3=C(SC(=C23)Cl)Cl","SAMZNQQDWNOPLZ-UHFFFAOYSA-N",396938,NA,"PDBC07634","704120","Present",NA,NA
+"7635","1,3-Dichloro-6-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Cyclopenta[c]thiophen-4-one, 1,3-dichloro- 5,6-dihydr...",NA,"C1C(C2=C(SC(=C2C1=O)Cl)Cl)O","IPLHVUWWQLHYTD-UHFFFAOYSA-N",395860,NA,"PDBC07635","700862","Present",NA,NA
+"7636","1,3-Dichloro-6-imidazol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloro-6-imidazol-1-yl-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1C(C2=C(SC(=C2C1=O)Cl)Cl)N3C=CN=C3","DIFJNXNEBVTNKA-UHFFFAOYSA-N",397151,NA,"PDBC07636","704552","Present",NA,NA
+"7637","1,3-Dichlorocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Cyclopenta[c]thiophen-4-one, 1,3-dichloro-",NA,"C1=CC(=O)C2=C(SC(=C21)Cl)Cl","OYCVLEGAUGFXEI-UHFFFAOYSA-N",395859,NA,"PDBC07637","700861","Present",NA,NA
+"7638","1,3-Dichlorocyclopenta[c]thiophene-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichlorocyclopenta[c]thiophene-4,6-dione",NA,"C1C(=O)C2=C(SC(=C2C1=O)Cl)Cl","OLVGTMSJUKGPQB-UHFFFAOYSA-N",396948,NA,"PDBC07638","704129","Present",NA,NA
+"7639","1,3-Dichloropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dichloropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)N=C3N2C(=CC(=C3C#N)Cl)Cl","CVTXAWOAZPMVBL-UHFFFAOYSA-N",390778,NA,"PDBC07639","688689","Present",NA,NA
+"7640","1,3-Dicyano-N~1~,N~3~-dimethyl-2,4-diphenyl-1,3-cyclobutanedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dicyano-N~1~,N~3~-dimethyl-2,4-diphenyl-1,3-cyclobutanedicarboxamide",NA,"CNC(=O)C1(C(C(C1C2=CC=CC=C2)(C#N)C(=O)NC)C3=CC=CC=C3)C#N","VHPLSEZWTJYMFG-UHFFFAOYSA-N",392973,NA,"PDBC07640","694215","Present",NA,NA
+"7641","1,3-Dicyclohexyl-1,3-diazetidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIChal_000037",NA,"C1CCC(CC1)N2C(=O)N(C2=O)C3CCCCC3","NUQKAOMFMVTQIT-UHFFFAOYSA-N",391641,NA,"PDBC07641","691127","Present",NA,NA
+"7642","1,3-Dicyclohexyl-2-thioxoimidazolidine-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741337",NA,"C1CCC(CC1)N2C(=O)C(=O)N(C2=S)C3CCCCC3","RDIURNOQYBSTCN-UHFFFAOYSA-N",383270,NA,"PDBC07642","671384","Present",NA,NA
+"7643","1,3-Diethyl-1-[[ethyl(ethylcarbamoyl)amino]methyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, N,N''-methylenebis[N,N'-diethyl-",NA,"CCNC(=O)N(CC)CN(CC)C(=O)NCC","WLQKEFJLAZHQDA-UHFFFAOYSA-N",370395,NA,"PDBC07643","643491","Present",NA,NA
+"7644","1,3-Diethyl-4-hydroxy-6-oxo-2-sulfanylidene-N-thiophen-2-ylpyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diethyl-4-hydroxy-6-oxo-2-sulfanylidene-N-thiophen-2-ylpyrimidine-5-carboxamide",NA,"CCN1C(=C(C(=O)N(C1=S)CC)C(=O)NC2=CC=CS2)O","KCWUDFKRQJMBTI-UHFFFAOYSA-N",371522,NA,"PDBC07644","645844","Present",NA,NA
+"7645","1,3-Diethyl-4-hydroxy-N-[1-(4-nitrophenyl)ethyl]-6-oxo-2-sulfanylidenepyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diethyl-4-hydroxy-N-[1-(4-nitrophenyl)ethyl]-6-oxo-2-sulfanylidenepyrimidine-5-carboxamide",NA,"CCN1C(=C(C(=O)N(C1=S)CC)C(=O)NC(C)C2=CC=C(C=C2)[N+](=O)[O-])O","IOYTVCIAQZCXIZ-UHFFFAOYSA-N",389029,NA,"PDBC07645","684575","Present",NA,NA
+"7646","1,3-Diethyl-5-[(4-phenylphenyl)methylene]-2-thioxo-1,3-dihydropyrimidine-4,6-d ione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Biphenyl-4-ylmethylidene)-1,3-diethyl-2-thioxodihydropyrimidine-4,6(1h,5h)-dione",NA,"CCN1C(=O)C(=CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N(C1=S)CC","PRXOVYKRYLYIFZ-UHFFFAOYSA-N",389026,NA,"PDBC07646","684572","Present",NA,NA
+"7647","1,3-Diethyl-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diethyl-5-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"CCN1C(=O)C(=CC=CC2=CC=C(C=C2)OC)C(=O)N(C1=S)CC","PHGMWCUOGNZRHU-VOTSOKGWSA-N",5874668,NA,"PDBC07647","684570","Present",NA,NA
+"7648","1,3-Diethyl-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diethyl-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"CCN1C(=O)C(=CC=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N(C1=S)CC","YWQBPDWOTWVTFO-AATRIKPKSA-N",5938459,NA,"PDBC07648","684566","Present",NA,NA
+"7649","1,3-Diethyl-6-hydroxy-5-methanimidoylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diethyl-6-hydroxy-5-methanimidoylpyrimidine-2,4-dione",NA,"CCN1C(=C(C(=O)N(C1=O)CC)C=N)O","WDOKELNVRSVECZ-UHFFFAOYSA-N",287321,NA,"PDBC07649","147097","Present",NA,NA
+"7650","1,3-Dihydro-6-fluoro-3-(2-oxocyclohexylidene)indole-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydro-6-fluoro-3-(2-oxocyclohexylidene)indole-2-one",NA,"C1CCC(=O)C(=C2C3=C(C=C(C=C3)F)NC2=O)C1","HYCBNNNUQTZJFY-JLHYYAGUSA-N",3004409,NA,"PDBC07650","650913","Present",NA,NA
+"7651","1,3-Dihydro-6-fluoro-3-hydroxy-3-(2-oxocyclohexyl)indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydro-6-fluoro-3-hydroxy-3-(2-oxocyclohexyl)indol-...",NA,"C1CCC(=O)C(C1)C2(C3=C(C=C(C=C3)F)NC2=O)O","WJXZIMWBGPSBFK-UHFFFAOYSA-N",373906,NA,"PDBC07651","650912","Present",NA,NA
+"7652","1,3-Dihydroanthra[2,3-c]thiophene-5,10-dione 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroanthra[2,3-c]thiophene-5,10-dione 2-oxide",NA,"C1C2=CC3=C(C=C2CS1=O)C(=O)C4=CC=CC=C4C3=O","NHWRZAVVCMOKNF-UHFFFAOYSA-N",363003,NA,"PDBC07652","627542","Present",NA,NA
+"7653","1,3-Dihydroxy-10-methyl-7-nitro-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-10-methyl-7-nitro-acridin-9-one",NA,"CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3O)O","CYBLUKVSMNILGW-UHFFFAOYSA-N",5386678,NA,"PDBC07653","615534","Present",NA,NA
+"7654","1,3-Dihydroxy-10-methyl-8-nitro-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-10-methyl-8-nitro-acridin-9-one",NA,"CN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3O)O","WOPVVGDDIOXNGL-UHFFFAOYSA-N",5324539,NA,"PDBC07654","647749","Present",NA,NA
+"7655","1,3-Dihydroxy-10H-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7W-0843",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C=C(C=C3O)O","RWJOWUMRFOUHTR-UHFFFAOYSA-N",5467589,NA,"PDBC07655","656163","Present",NA,NA
+"7656","1,3-Dihydroxy-2,2,5,5-tetramethyl-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-2,2,5,5-tetramethyl-4-imidazolidinone",NA,"CC1(C(=O)N(C(N1O)(C)C)O)C","BLSRZFIQIBNYMP-UHFFFAOYSA-N",378674,NA,"PDBC07656","661471","Present",NA,NA
+"7657","1,3-Dihydroxy-5,10-dimethyl-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-5,10-dimethyl-acridin-9-one",NA,"CC1=C2C(=CC=C1)C(=O)C3=C(N2C)C=C(C=C3O)O","QHCAEKNKIQMCJQ-UHFFFAOYSA-N",5465761,NA,"PDBC07657","660811","Present",NA,NA
+"7658","1,3-Dihydroxy-5-methyl-10H-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-5-methyl-9(10)-acridinone",NA,"CC1=C2C(=CC=C1)C(=O)C3=C(N2)C=C(C=C3O)O","NBPXZTCJIOEPOU-UHFFFAOYSA-N",5465791,NA,"PDBC07658","662137","Present",NA,NA
+"7659","1,3-Dihydroxy-6-(4-methylpiperazino)-7-aminoacridine-9(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-6-(4-methylpiperazino)-7-aminoacridine-9(10H)-one",NA,"CN1CCN(CC1)C2=C(C=C3C(=C2)NC4=C(C3=O)C(=CC(=C4)O)O)N","BOACJVDNRDKLGU-UHFFFAOYSA-N",5472237,NA,"PDBC07659","717110","Present",NA,NA
+"7660","1,3-Dihydroxy-8,10-dimethyl-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-8,10-dimethyl-acridin-9-one",NA,"CC1=C2C(=CC=C1)N(C3=C(C2=O)C(=CC(=C3)O)O)C","GGXKYBVJXLRZBH-UHFFFAOYSA-N",5465760,NA,"PDBC07660","660810","Present",NA,NA
+"7661","1,3-Dihydroxy-8-methyl-10H-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-8-methyl-9(10)-acridinone",NA,"CC1=C2C(=CC=C1)NC3=C(C2=O)C(=CC(=C3)O)O","JCBDAFIHZKTUHH-UHFFFAOYSA-N",5465790,NA,"PDBC07661","662135","Present",NA,NA
+"7662","1,3-Diiodocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diiodocyclopenta[c]thiophen-6-one",NA,"C1=CC(=O)C2=C(SC(=C21)I)I","QGAHUYYADXDHEL-UHFFFAOYSA-N",396934,NA,"PDBC07662","704117","Present",NA,NA
+"7663","1,3-Dimethoxy-10-methyl-8-nitroacridin-9(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethoxy-10-methyl-8-nitroacridin-9(10H)-one",NA,"CN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3OC)OC","XUXSDAIUHIWQAS-UHFFFAOYSA-N",372544,NA,"PDBC07663","647750","Present",NA,NA
+"7664","1,3-Dimethoxy-5,10-dimethyl-9(10H)-acridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethoxy-5,10-dimethyl-9(10H)-acridinone",NA,"CC1=C2C(=CC=C1)C(=O)C3=C(N2C)C=C(C=C3OC)OC","MKURHQVLLURQMZ-UHFFFAOYSA-N",378391,NA,"PDBC07664","660809","Present",NA,NA
+"7665","1,3-Dimethoxy-5-(2-nitroprop-1-enyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dimethoxy-beta-methyl-beta-nitrostyrene",NA,"CC(=CC1=CC(=CC(=C1)OC)OC)[N+](=O)[O-]","COWWUDOIMZXGFM-XBXARRHUSA-N",5467733,NA,"PDBC07665","658453","Present",NA,NA
+"7666","1,3-Dimethoxy-5-(2-nitrovinyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-dimethoxy-5-[(E)-2-nitrovinyl]benzene",NA,"COC1=CC(=CC(=C1)C=C[N+](=O)[O-])OC","LIROLLNTVLAPGP-ONEGZZNKSA-N",5375913,NA,"PDBC07666","783918","Present",NA,NA
+"7667","1,3-Dimethoxy-5-nitro-10-methyl-9-acridone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethoxy-5-nitro-10-methyl-9-acridone",NA,"CN1C2=C(C(=CC(=C2)OC)OC)C(=O)C3=C1C(=CC=C3)[N+](=O)[O-]","ZIOJEGSNDOJKBF-UHFFFAOYSA-N",360413,NA,"PDBC07667","622486","Present",NA,NA
+"7668","1,3-Dimethyl 2-(3-oxocyclohexyl)propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CMLDBU00002581",NA,"COC(=O)C(C1CCCC(=O)C1)C(=O)OC","XRRVFMYYAGGSJO-UHFFFAOYSA-N",358296,NA,"PDBC07668","618238","Present",NA,NA
+"7669","1,3-Dimethyl-1,2,3,4,8,9-hexahydro[1,4]dioxino[2,3-g]pyrimido[4,5-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-13,16-dioxa-2,4,6-triazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3(8),9,11,17-pentaene",NA,"CN1CC2=C(N=C3C=C4C(=CC3=C2)OCCO4)N(C1)C","FAAFQMAHYUCBMN-UHFFFAOYSA-N",391050,NA,"PDBC07669","689582","Present",NA,NA
+"7670","1,3-Dimethyl-1,3-bis[(E)-(6-phenylmethoxy-7H-purin-2-yl)diazenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-carbonylbis[1-(6-benzyloxypurin-2-yl)]-3-methyltria...",NA,"CN(C(=O)N(C)N=NC1=NC2=C(C(=N1)OCC3=CC=CC=C3)NC=N2)N=NC4=NC5=C(C(=N4)OCC6=CC=CC=C6)NC=N5","FCOCPZFEBXTYFS-NFSGFYSESA-N",5472804,NA,"PDBC07670","721626","Present",NA,NA
+"7671","1,3-Dimethyl-1-(methyldiazenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Triazene-1-carboxamide, N,1-dimethyl-",NA,"CNC(=O)N(C)N=NC","NEXBHNSUHRMPFL-UHFFFAOYSA-N",190594,NA,"PDBC07671","378853","Present",NA,NA
+"7672","1,3-Dimethyl-10-phenyl-5H-phenophosphazinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-10-phenyl-5,10-dihydrophenophosphazinine",NA,"CC1=CC(=C2C(=C1)NC3=CC=CC=C3P2C4=CC=CC=C4)C","MJTPRORYSSCIPI-UHFFFAOYSA-N",360852,NA,"PDBC07672","623452","Present",NA,NA
+"7673","1,3-Dimethyl-2,4-dioxo-6-pyrrolidin-1-yl-pyrimidine-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-2,4-dioxo-6-pyrrolidin-1-yl-pyrimidine-5-carbaldehyde",NA,"CN1C(=C(C(=O)N(C1=O)C)C=O)N2CCCC2","JNSIVVQGSXLVNF-UHFFFAOYSA-N",389800,NA,"PDBC07673","686404","Present",NA,NA
+"7674","1,3-Dimethyl-2-(3-nitrophenyl)benzimidazol-3-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692415",NA,"CN1C2=CC=CC=C2[N+](=C1C3=CC(=CC=C3)[N+](=O)[O-])C.[I-]","JMPYIYQAIQGYCZ-UHFFFAOYSA-M",392277,NA,"PDBC07674","692415","Present",NA,NA
+"7675","1,3-Dimethyl-2-phenyl-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-2-phenyl-4,5-dihydro-1H-pyrrolo[2,3-d]pyridazine-4-one",NA,"CC1=C(N(C2=C1C(=O)NN=C2)C)C3=CC=CC=C3","CHFZSGDVVDWLMQ-UHFFFAOYSA-N",400457,NA,"PDBC07675","712189","Present",NA,NA
+"7676","1,3-Dimethyl-2-phenyl-4,5-dihydroimidazol-1-ium tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-2-phenyl-4,5-dihydroimidazol-1-ium tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC07676","664862","Present",NA,NA
+"7677","1,3-Dimethyl-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-2-phenyl-5,6-dihydro-4H-pyrimidin-1-ium tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC07677","664864","Present",NA,NA
+"7678","1,3-Dimethyl-2-phenyl-5-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-2-phenyl-5-[4-(4-phenylpiperazin-1-yl)butyl]pyrrolo[3,4-c]pyrrole-4,6-dione",NA,"CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(C2=O)CCCCN4CCN(CC4)C5=CC=CC=C5","ZIUHEKBIGWNVLN-UHFFFAOYSA-N",387906,NA,"PDBC07678","682138","Present",NA,NA
+"7679","1,3-Dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione",NA,"CN1C(C2=C(N=C3C=CC=CN3C2=O)N(C1=O)C)N4CCCC4","SCYIJMFOQXBCKC-UHFFFAOYSA-N",375439,NA,"PDBC07679","655162","Present",NA,NA
+"7680","1,3-Dimethyl-4a,6,7,8,9,10a-hexahydrobenzo[g]quinazoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-2,4,4a,6,7,8,9,10a-octahydro-2,4-dioxo-benz...",NA,"CN1C2C=C3CCCCC3=CC2C(=O)N(C1=O)C","ABSYMFITPFFORO-UHFFFAOYSA-N",383514,NA,"PDBC07680","671904","Present",NA,NA
+"7681","1,3-Dimethyl-5-[(2-nitroanilino)methylene]hexahydropyrimidine-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-5-(2-nitro-phenylaminomethylene-barbituric ...",NA,"CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2[N+](=O)[O-])O","XPLIELATGPKUEX-UHFFFAOYSA-N",387459,NA,"PDBC07681","681265","Present",NA,NA
+"7682","1,3-Dimethyl-5-[(N-methylanilino)methylidene]-1,3-diazinane-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-5-[(N-methylanilino)methylidene]-1,3-diazinane-2,4,6-trione",NA,"CN1C(=O)C(=CN(C)C2=CC=CC=C2)C(=O)N(C1=O)C","SGCLODKGJGRCJG-UHFFFAOYSA-N",319878,NA,"PDBC07682","265529","Present",NA,NA
+"7683","1,3-Dimethyl-5-[2-[(4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopentene-1-carbonyl]phenyl]-1,3,5-triazinan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-5-[2-[(4S)-4-[(E)-4-[(2-methylpropan-2-yl)oxy]-1-tri(propan-2-yl)silyloxybut-2-en-2-yl]cyclopentene-1-carbonyl]phenyl]-1,3,5-triazinan-2-one",NA,"CC(C)[Si](C(C)C)(C(C)C)OCC(=CCOC(C)(C)C)C1CC=C(C1)C(=O)C2=CC=CC=C2N3CN(C(=O)N(C3)C)C","LXIJTOMKRJHRCM-QSRSGOJESA-N",5470160,NA,"PDBC07683","698206","Present",NA,NA
+"7684","1,3-Dimethyl-5-nitro-4-phosphoranylideneamino-uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-5-nitro-4-phosphoranylideneamino-uracil",NA,"CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","QZTWDTFGMRTQIV-UHFFFAOYSA-N",387480,NA,"PDBC07684","681282","Present",NA,NA
+"7685","1,3-Dimethyl-5-oxido-7-phenyl-2,4-dihydropteridin-5-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-5-oxido-7-phenyl-2,4-dihydropteridin-5-ium",NA,"CN1CC2=[N+](C=C(N=C2N(C1)C)C3=CC=CC=C3)[O-]","VRWKRWIPZGMOJQ-UHFFFAOYSA-N",3787596,NA,"PDBC07685","621723","Present",NA,NA
+"7686","1,3-Dimethyl-6-(1-piperidinyl)-2,4(1H,3H)-pteridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-6-(1-piperidinyl)-2,4(1H,3H)-pteridinedione",NA,"CN1C2=NC=C(N=C2C(=O)N(C1=O)C)N3CCCCC3","ZEWWMKSKZVDOBR-UHFFFAOYSA-N",375732,NA,"PDBC07686","655741","Present",NA,NA
+"7687","1,3-Dimethyl-6-(4-morpholinyl)-2,4(1H,3H)-pteridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-6-(4-morpholinyl)-2,4(1H,3H)-pteridinedione",NA,"CN1C2=NC=C(N=C2C(=O)N(C1=O)C)N3CCOCC3","QEYMZRBNZLEBPJ-UHFFFAOYSA-N",375733,NA,"PDBC07687","655742","Present",NA,NA
+"7688","1,3-Dimethyl-7,10-dihydro-6H-purino[7,8-a]pyrimidine-2,4,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimido[2,1-f]purine-2,4,8-trione,  1,2,3,4,6,7,8,9-oct...",NA,"CN1C2=C(C(=O)N(C1=O)C)N3CCC(=O)NC3=N2","SDPVZTYKQKYYQX-UHFFFAOYSA-N",365163,NA,"PDBC07688","632302","Present",NA,NA
+"7689","1,3-Dimethyl-8-((2-(4-morpholinyl)ethyl)thio)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-8-((2-(4-morpholinyl)ethyl)thio)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",NA,"CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCCN3CCOCC3","OVDZYZANTZBNCJ-UHFFFAOYSA-N",264524,NA,"PDBC07689","99667","Present",NA,NA
+"7690","1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-8-[(3-phenylpropyl)thio]-6-thioxo-1,6-dihydro-7H-purine-2(3H)-one",NA,"CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCCC3=CC=CC=C3","KGKBAVZYEBZEGC-UHFFFAOYSA-N",3246363,NA,"PDBC07690","99676","Present",NA,NA
+"7691","1,3-Dimethyl-8-[(E)-(1,3,4-thiadiazol-2-ylamino)azo]-9H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-8-[(E)-(1,3,4-thiadiazol-2-ylamino)azo]-9H-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NN=NC3=NN=CS3","RLEDPDGHGINYPS-UHFFFAOYSA-N",135489875,NA,"PDBC07691","686672","Present",NA,NA
+"7692","1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C4=CC=CC=C4SC3=N2","SVOPXNRQKZTEJF-UHFFFAOYSA-N",391071,NA,"PDBC07692","689605","Present",NA,NA
+"7693","1,3-Dimethylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK050778",NA,"CC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C","VEEHUUCFPCGPKD-UHFFFAOYSA-N",387843,NA,"PDBC07693","682003","Present",NA,NA
+"7694","1,3-Dinitro-10H-phenoxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dinitro-10H-phenoxazine",NA,"C1=CC=C2C(=C1)NC3=C(C=C(C=C3O2)[N+](=O)[O-])[N+](=O)[O-]","BNCNPPGADFFASS-UHFFFAOYSA-N",3824594,NA,"PDBC07694","139948","Present",NA,NA
+"7695","1,3-Dioxo-alpha-(4-hydroxy-3-nitrobenzyl)-2-isoindolineacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxo-.alpha.-(4-hydroxy-3-nitrobenzyl)-2-isoindolin...",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)O","DPWOSPPSFSUKHY-UHFFFAOYSA-N",52641,NA,"PDBC07695","106920","Present",NA,NA
+"7696","1,3-Dioxolane, 2-methyl-2-[6-methyl-7-(phenylthio)bicyclo[4.1.0]hept-3-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolane, 2-methyl-2-[6-methyl-7-(phenylthio)bicyclo[4.1.0]hept-3-yl]-",NA,"CC12CCC(CC1C2SC3=CC=CC=C3)C4(OCCO4)C","KVUMDGYEVJFGAW-UHFFFAOYSA-N",361934,NA,"PDBC07696","625415","Present",NA,NA
+"7697","1,3-Diphenyl-1,2,4-benzotriazine-7(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-diphenylbenzo[e]-[1,2,4]triazin-7(1H)-one",NA,"C1=CC=C(C=C1)C2=NN(C3=CC(=O)C=CC3=N2)C4=CC=CC=C4","BOXCNPJCYWRSEV-UHFFFAOYSA-N",71458464,NA,"PDBC07697","768093","Present",NA,NA
+"7698","1,3-Diphenyl-3-(phenylethynyl)-1,3-dihydro-2-benzofuran-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diphenyl-3-(phenylethynyl)-1,3-dihydro-2-benzofuran-1-ol",NA,"C1=CC=C(C=C1)C#CC2(C3=CC=CC=C3C(O2)(C4=CC=CC=C4)O)C5=CC=CC=C5","CQTISHGZIRFFLN-UHFFFAOYSA-N",363124,NA,"PDBC07698","627693","Present",NA,NA
+"7699","1,3-Diphenyl-4-[(5S)-3-phenyl-4,5-dihydro-1H-pyrazol-5-yl]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-diphenyl-4-(3-phenyl-4,5-dihydro-1H-pyrazol-5-yl)-1H...",NA,"C1C(NN=C1C2=CC=CC=C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5","IKWHDGOMAWOCTE-QHCPKHFHSA-N",155809903,NA,"PDBC07699","757933","Present",NA,NA
+"7700","1,3-Diphenyl-4-phosphoranylideneamino-uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diphenyl-4-phosphoranylideneamino-uracil",NA,"C1=CC=C(C=C1)N2C(=CC(=O)N(C2=O)C3=CC=CC=C3)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","UTVWJMQGBQSTBA-UHFFFAOYSA-N",387460,NA,"PDBC07700","681266","Present",NA,NA
+"7701","1,3-Diphenyl-6-methyl-5,8-dihydropyrazolo[3,4-e][1,4]diazepine-4,7(1H,6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-1,3-diphenyl-6,8-dihydro-5H-pyrazolo[3,4-e][1,4]diazepine-4,7-dione",NA,"CC1C(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N1","XASVGYWGZSTBFX-UHFFFAOYSA-N",390765,NA,"PDBC07701","688528","Present",NA,NA
+"7702","1,3-Diphenyl-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diphenyl-9-tetrahydrofuran-2-yl-2-thioxo-purin-6-one",NA,"C1CC(OC1)N2C=NC3=C2N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","BLVKPSJSHOROAD-UHFFFAOYSA-N",390380,NA,"PDBC07702","687722","Present",NA,NA
+"7703","1,3-Diphenyl-9-tetrahydropyran-2-yl-2-thioxo-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Purin-6-one, 1,2,3,9-tetrahydro- 9-(tetrahydro-2-pyra...",NA,"C1CCOC(C1)N2C=NC3=C2N(C(=S)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","MKWJBHBVTAYNSD-UHFFFAOYSA-N",387937,NA,"PDBC07703","682242","Present",NA,NA
+"7704","1,3-Diphenyldiazirine;perchloric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680219",NA,"C1=CC=C(C=C1)C2=NN2C3=CC=CC=C3.OCl(=O)(=O)=O","LGJKXUITZDRHFW-UHFFFAOYSA-N",21144981,NA,"PDBC07704","680219","Present",NA,NA
+"7705","1,3-Diphenylpropane-1,3-dione;ethane;thallium(3+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644921",NA,"C[CH2-].C[CH2-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Tl+3]","UVASPQQJSJXRPP-UHFFFAOYSA-N",371034,NA,"PDBC07705","644921","Present",NA,NA
+"7706","1,3-Diphenylpropane-1,3-dione;titanium(4+);dihydroxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644912",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH-].[OH-].[Ti+4]","JNUSPADFMGHDHR-UHFFFAOYSA-L",371030,NA,"PDBC07706","644912","Present",NA,NA
+"7707","1,3-Diphenylpyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazino[1,2-a]benzimidazole, 1,3-diphenyl-",NA,"C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C5=CC=CC=C5","PIOPJJVCIAANDM-UHFFFAOYSA-N",384474,NA,"PDBC07707","674276","Present",NA,NA
+"7708","1,3-Dipyrrolidin-1-ylcyclopenta[c]thiophene-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dipyrrolidin-1-ylcyclopenta[c]thiophene-4,6-dione",NA,"C1CCN(C1)C2=C3C(=O)CC(=O)C3=C(S2)N4CCCC4","WAUMTRCECOVSFY-UHFFFAOYSA-N",399790,NA,"PDBC07708","710885","Present",NA,NA
+"7709","1,3-Dithian-2-ylmethyl 2-diazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-1-(1,3-dithian-2-ylmethoxy)ethenolate",NA,"C1CSC(SC1)COC(=O)C=[N+]=[N-]","SGXRLDWHYVZMPR-UHFFFAOYSA-N",386732,NA,"PDBC07709","679278","Present",NA,NA
+"7710","1,3-Dithiolan-2-imine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC202537",NA,"C1CSC(=N)S1.Cl","YTWKDMBDSDTCBQ-UHFFFAOYSA-N",13135073,NA,"PDBC07710","202537","Present",NA,NA
+"7711","1,3-Dithiolan-2-ylidene(didodecyl)azanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC191924",NA,"CCCCCCCCCCCC[N+](=C1SCCS1)CCCCCCCCCCCC.[Br-]","SWGNQVBSAAGEJG-UHFFFAOYSA-M",24195609,NA,"PDBC07711","191924","Present",NA,NA
+"7712","1,3-Dithiolane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656986",NA,"C1CSC(S1)C(=O)O","DSOVOUOPKYLGID-UHFFFAOYSA-N",243349,NA,"PDBC07712","656986","Present",NA,NA
+"7713","1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dithiolo[4,5-b][1,4]dithiin-2-thione, 5,6-dihydro-5-phenyl-",NA,"C1C(SC2=C(S1)SC(=S)S2)C3=CC=CC=C3","KAZNFIJVLOEIFR-UHFFFAOYSA-N",362958,NA,"PDBC07713","627449","Present",NA,NA
+"7714","1,3-Diyl)dioxy]bis[(11as)-2-Fluoro-7-methoxyo 1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-o ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-[(propane-1,3-diyl)dioxy]bis[(11as)-2-Fluoro-7-meth...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)F)OCCCOC4=C(C=C5C(=C4)N=CC6CC(CN6C5=O)F)OC","PYZBEYIGCKIJOD-YRXWBPOGSA-N",24203386,NA,"PDBC07714","727727","Present",NA,NA
+"7715","1,3-Isobenzofurandione, 5,5'-sulfonylbis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DSDA",NA,"C1=CC2=C(C=C1S(=O)(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O","ZHBXLZQQVCDGPA-UHFFFAOYSA-N",75682,NA,"PDBC07715","689416","Present",NA,NA
+"7716","1,3-Propanediamine, N-(6-chloro-2-methoxy-9-acridinyl)-N'-(3-((6-chloro-2-methoxy-9-acridinyl)amino)propyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(6-Chloro-2-methoxyacridin-9-yl)-N-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]propane-1,3-diamine",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC","JXKNOHCXCIJXLN-UHFFFAOYSA-N",151379,NA,"PDBC07716","671553","Present",NA,NA
+"7717","1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Propanediamine, N-hexyl-N'-(1-nitro-9-acridinyl)-",NA,"CCCCCCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]","NSZWREFZGBFSJX-UHFFFAOYSA-N",149592,NA,"PDBC07717","673791","Present",NA,NA
+"7718","1,3-Propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl-phenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Propanedione, 1-(3-pyridinyl)-3-(2,4,6-trimethyl- ph...",NA,"CC1=CC(=C(C(=C1)C)C(=O)CC(=O)C2=CN=CC=C2)C","LVGCWHFIWIHBKH-UHFFFAOYSA-N",226783,NA,"PDBC07718","17551","Present",NA,NA
+"7719","1,3-Tribromo-3-dodecen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,3-tribromo-3-dodecen-2-ol",NA,"CCCCCCCCC=C(C(C(Br)Br)O)Br","OXAKHAUHUJIBEU-KTKRTIGZSA-N",5470528,NA,"PDBC07719","702653","Present",NA,NA
+"7720","1,3-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoquin oline Hydrychloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]iso...",NA,"COC1=C(C(=C2C=NC3=C(C2=C1)CC4=CC5=C(C=C43)OCO5)OC)OC.Cl","BSHLVRXBSUNJCD-UHFFFAOYSA-N",11188373,NA,"PDBC07720","730921","Present",NA,NA
+"7721","1,3-bis(quinolin-2-ylmethyl)benzimidazolium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(quinolin-2-ylmethyl)benzimidazolium chloride",NA,"C1=CC=C2C(=C1)C=CC(=N2)CN3C=[N+](C4=CC=CC=C43)CC5=NC6=CC=CC=C6C=C5","KKXUBTVCAAWSFC-UHFFFAOYSA-N",134150622,NA,"PDBC07721","790465","Present",NA,NA
+"7722","1,3-bis(trifluoromethyl)-2,4-diaza-butadientylamido,n,n<U+00F8>...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(trifluoromethyl)-2,4-diaza-butadientylamido,n,n<U+00F8>...",NA,NA,NA,NA,NA,"PDBC07722","758519","Present",NA,NA
+"7723","1,3-di([?]yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-di([?]yl)urea",NA,NA,NA,NA,NA,"PDBC07723","696102","Present",NA,NA
+"7724","1,3-di(p-methoxybenzyl)-4,5-(p-isopropylphenyl)imidazol-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-di(p-methoxybenzyl)-4,5-(p-isopropylphenyl)imidazol-...",NA,NA,NA,NA,NA,"PDBC07724","775821","Present",NA,NA
+"7725","1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene gold(I) hept...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene gold(I) hept...",NA,NA,NA,NA,NA,"PDBC07725","787080","Present",NA,NA
+"7726","1,3-dioxa-6-aza-6-methyl-2,2-dihydroxo-2-Germacyclooctane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-dioxa-6-aza-6-methyl-2,2-dihydroxo-2-Germacyclooctane",NA,NA,NA,NA,NA,"PDBC07726","648327","Present",NA,NA
+"7727","1,3-diphenyl-2-thioxo-7H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-diphenyl-2-thioxo-7H-purin-6-one",NA,"C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4)NC=N3","OUGRPLAQITWHLG-UHFFFAOYSA-N",390382,NA,"PDBC07727","687724","Present",NA,NA
+"7728","1,3S)-3,4-Epoxy-2-(3-methoxy-5-methyl-1-naphthoyloxy)-3-methylbutanoyl]-4-methyl-1,4,7-triazaheptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis[(2S,3S)-3,4-epoxy-2-(3-methoxy-5-methyl-1-naphth...",NA,"CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)NCCN(C)CCNC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC)C6(CO6)C)OC","MAWJQXMFXDFEHM-HLMMNVQFSA-N",11399964,NA,"PDBC07728","732222","Present",NA,NA
+"7729","1,3a,8-Trimethyl-2-oxo-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,8b-Trimethyl-2-oxo-1,3a-dihydropyrrolo[2,3-b]indole-7-carbaldehyde",NA,"CC12CC(=O)N(C1N(C3=C2C=C(C=C3)C=O)C)C","UMKOCSMVWWOGSB-UHFFFAOYSA-N",368805,NA,"PDBC07729","640070","Present",NA,NA
+"7730","1,3a-Diphenyl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepin-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3a-Diphenyl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepin-5(6H)-one",NA,"C1C(=O)NC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5","FRNHVBUPYHIMAM-UHFFFAOYSA-N",377492,NA,"PDBC07730","658960","Present",NA,NA
+"7731","1,3a-Diphenyl-5-(2-thienyl)-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3a-Diphenyl-5-(2-thienyl)-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,"C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CS6","UVOBJYDPOKBWGL-UHFFFAOYSA-N",384267,NA,"PDBC07731","673815","Present",NA,NA
+"7732","1,3beta,5alpha-Trimethyl-N-phenyl-4,5-dihydro-1H-1-benzazepin-2(3H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,5S)-1,3,5-Trimethyl-N-phenyl-4,5-dihydro-3H-1-benzazepin-2-imine",NA,"CC1CC(C(=NC2=CC=CC=C2)N(C3=CC=CC=C13)C)C","BTJGSULXBGFQCA-GJZGRUSLSA-N",379699,NA,"PDBC07732","664572","Present",NA,NA
+"7733","1,4,10-Trihydroxy-10-allylanthracene-9(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,10-Trihydroxy-10-allylanthracene-9(10H)-one",NA,"C=CCC1(C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)O)O)O","CGQAAGZHVCHYBN-UHFFFAOYSA-N",400653,NA,"PDBC07733","712914","Present",NA,NA
+"7734","1,4,10-Trimethoxy-6-methyl[1]benzofuro[3,2-f]phthalazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,10-Trimethoxy-6-methyl[1]benzofuro[3,2-f]phthalazine",NA,"CC1=CC2=C(C3=C1OC4=C3C=C(C=C4)OC)C(=NN=C2OC)OC","BIEPOJPCAWLHPE-UHFFFAOYSA-N",377198,NA,"PDBC07734","658425","Present",NA,NA
+"7735","1,4,15,18-Tetraoxadispiro[4.8.4^{14}.8^{5}]hexacosane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,15,18-Tetraoxadispiro[4.8.4^{14}.8^{5}]hexacosane",NA,"C1CCCCC2(CCCCCCCCC3(CCC1)OCCO3)OCCO2","KIWQXBZEHMEJLC-UHFFFAOYSA-N",380902,NA,"PDBC07735","666684","Present",NA,NA
+"7736","1,4,15,18-Tetrathiadispiro[4.8.4^{14}.8^{5}]hexacosane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,15,18-Tetrathiadispiro[4.8.4^{14}.8^{5}]hexacosane",NA,"C1CCCCC2(CCCCCCCCC3(CCC1)SCCS3)SCCS2","UYTONAUUHUMPKA-UHFFFAOYSA-N",380903,NA,"PDBC07736","666685","Present",NA,NA
+"7737","1,4,5,6,7,7-Hexachloro-3-((9H-fluoren-2-ylamino)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,5,6,7,7-Hexachloro-3-((9H-fluoren-2-ylamino)carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4C(C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O","ACQIOJGCZAKEOE-UHFFFAOYSA-N",252008,NA,"PDBC07737","73101","Present",NA,NA
+"7738","1,4,5,6,8-Pentaazaacenaphthylen-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRICIRIBINE PHOSPHATE",NA,"CN1C2=NC=NC3=C2C(=CN3C4C(C(C(O4)COP(=O)(O)O)O)O)C(=N1)N","URLYINUFLXOMHP-UHFFFAOYSA-N",322539,NA,"PDBC07738","280594","Present",NA,NA
+"7739","1,4,5,6,9,10-Hexatert-butyl-2,7-dimethyl-2,5,7,10-tetrazonia-1,4,6,9-tetraboranuidatricyclo[6.2.0.03,6]deca-2,4,7,9-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,5,6,9,10-Hexatert-butyl-2,7-dimethyl-2,5,7,10-tetrazonia-1,4,6,9-tetraboranuidatricyclo[6.2.0.03,6]deca-2,4,7,9-tetraene",NA,"[B-]1(=[N+]([B-]2(C1=[N+]([B-]3(C(=[N+]2C)[B-](=[N+]3C(C)(C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C","ZABLYWUKNDGFKK-UHFFFAOYSA-N",390764,NA,"PDBC07739","688527","Present",NA,NA
+"7740","1,4,5,6-Tetrachloro-3-(2-cyanoethyl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,5,6-Tetrachloro-3-(2-cyanoethyl)bicyclo[2.2.1]hept-5-ene-2-carbonitrile",NA,"C1C2(C(C(C1(C(=C2Cl)Cl)Cl)C#N)CCC#N)Cl","OLOUVKVPMPHARG-UHFFFAOYSA-N",379236,NA,"PDBC07740","663650","Present",NA,NA
+"7741","1,4,5,6-Tetrahydropyrimidine-2-yl)phenyl]piperazi ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-bis[4-(3,4,5,6-tetrahydropyrimidine-2-yl)phenyl]pipe...",NA,"C1CNC(=NC1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C5=NCCCN5.Cl","VRNJJNCUBKYMTE-UHFFFAOYSA-N",24202883,NA,"PDBC07741","726152","Present",NA,NA
+"7742","1,4,5,8-Naphthalenetetracarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetra acid",NA,"C1=CC(=C2C(=CC=C(C2=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O","OLAPPGSPBNVTRF-UHFFFAOYSA-N",31422,NA,"PDBC07742","66207","Present",NA,NA
+"7743","1,4,5-Trimethoxybenzylidenylcarbonyl)cyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Di(3,4,5-trimethoxybenzylidenylcarbonyl)cyclohexane",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2(CCCCC2)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","LLMIEDSUDXESTN-DCIPZJNNSA-N",5473013,NA,"PDBC07743","723434","Present",NA,NA
+"7744","1,4,5-Trimethoxyphenyl)amino]quin oxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-cyano-3-[(3,4,5-trimethoxyphenyl)amino]...",NA,"COC1=CC(=CC(=C1OC)OC)NC2=[N+](C3=CC=CC=C3[N+](=C2C#N)[O-])[O-]","CINIAHWRAYVORB-UHFFFAOYSA-N",135436453,NA,"PDBC07744","724565","Present",NA,NA
+"7745","1,4,5-Triphenyl-2-(4-nitrophenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Nitrophenyl)-1,4,5-triphenyl imidazole",NA,"C1=CC=C(C=C1)C2=C(N(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5","FCODAFMZJODMPG-UHFFFAOYSA-N",45029260,NA,"PDBC07745","745924","Present",NA,NA
+"7746","1,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizine-3-carbaldehyde",NA,"C1CN2CC(=CCC2C3=C1C4=CC=CC=C4N3)C=O","WTPHUAMSGFPUII-UHFFFAOYSA-N",372784,NA,"PDBC07746","648408","Present",NA,NA
+"7747","1,4,7,10,13-Pentathiacyclopentadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7,10,13-Pentathiacyclopentadecane",NA,"C1CSCCSCCSCCSCCS1","JZVKYARMSUTTSV-UHFFFAOYSA-N",373838,NA,"PDBC07747","650801","Present",NA,NA
+"7748","1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane, 4,10-bis(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane, 4,10-bis(phenylmethyl)-",NA,"C1CN2CCN(CCN1CCN(CC2)CC3=CC=CC=C3)CC4=CC=CC=C4","UCEDWWORPBBYIP-UHFFFAOYSA-N",398647,NA,"PDBC07748","708806","Present",NA,NA
+"7749","1,4,7,10-Tetraazacyclododecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclen",NA,"C1CNCCNCCNCCN1","QBPPRVHXOZRESW-UHFFFAOYSA-N",64963,NA,"PDBC07749","629374","Present",NA,NA
+"7750","1,4,7,10-Tetraazacyclododecane-1,7-diethanol, 4,10-bis[(4-methylphenyl)sulfonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[7-(2-Hydroxyethyl)-4,10-bis(p-tolylsulfonyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CCN(CC2)CCO)S(=O)(=O)C3=CC=C(C=C3)C)CCO","LSUNYLPUFMGRRD-UHFFFAOYSA-N",387340,NA,"PDBC07750","681084","Present",NA,NA
+"7751","1,4,7,10-Tetrathiacyclotridecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7,10-Tetrathiacyclotridecane",NA,"C1CSCCSCCSCCSC1","FFRMQLCUFQSYIA-UHFFFAOYSA-N",373836,NA,"PDBC07751","650799","Present",NA,NA
+"7752","1,4,7,10-Tetrazabicyclo[5.5.2]tetradecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7,10-Tetraazabicyclo[5.5.2]tetradecane",NA,"C1CN2CCNCCN(CCN1)CC2","SXVIKQINVVZUBE-UHFFFAOYSA-N",398645,NA,"PDBC07752","708804","Present",NA,NA
+"7753","1,4,7-Triazacyclononane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7-Triazonane",NA,"C1CNCCNCCN1","ITWBWJFEJCHKSN-UHFFFAOYSA-N",188318,NA,"PDBC07753","681101","Present",NA,NA
+"7754","1,4,7-Tris[(2-benzylsulfanylphenyl)methyl]-1,4,7-triazonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7-Tris[2-(benzylsulfanyl)benzyl]-1,4,7-triazonane",NA,"C1CN(CCN(CCN1CC2=CC=CC=C2SCC3=CC=CC=C3)CC4=CC=CC=C4SCC5=CC=CC=C5)CC6=CC=CC=C6SCC7=CC=CC=C7","LXONLVWXARGQIB-UHFFFAOYSA-N",401159,NA,"PDBC07754","714198","Present",NA,NA
+"7755","1,4,7-Trithionane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7-Trithionane",NA,"C1CSCCSCCS1","PQNPKQVPJAHPSB-UHFFFAOYSA-N",373835,NA,"PDBC07755","650798","Present",NA,NA
+"7756","1,4,7-Trithionane 1,4,7-trioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7-Trithionane 1,4,7-trioxide",NA,"C1CS(=O)CCS(=O)CCS1=O","YRHVZGNGLNMHOJ-UHFFFAOYSA-N",373823,NA,"PDBC07756","650786","Present",NA,NA
+"7757","1,4,7-Tritosyl-1,4,7,10-tetraazacyclododecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK161585",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C","DSXJEODHPCMQEG-UHFFFAOYSA-N",386072,NA,"PDBC07757","677645","Present",NA,NA
+"7758","1,4,8,11,15,18,22,25-Octathiacyclooctacosane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,8,11,15,18,22,25-Octathiacyclooctacosane",NA,"C1CSCCSCCCSCCSCCCSCCSCCCSCCSC1","HSGWKRSFKMUJQH-UHFFFAOYSA-N",373842,NA,"PDBC07758","650805","Present",NA,NA
+"7759","1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane",NA,"C1CNCCN2CCCNCCN(C1)CC2","OBBKVQRWBGOVCF-UHFFFAOYSA-N",398648,NA,"PDBC07759","708807","Present",NA,NA
+"7760","1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, 4,11-bis(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,8,11-Tetraazabicyclo[6.6.2]hexadecane, 4,11-bis(phenylmethyl)-",NA,"C1CN2CCN(CCCN(CC2)CC3=CC=CC=C3)CCN(C1)CC4=CC=CC=C4","FGVBSRHTSFUPNH-UHFFFAOYSA-N",398649,NA,"PDBC07760","708808","Present",NA,NA
+"7761","1,4,8,11-Tetraazacyclotetradecane-5,12-dione, 3,3,6,10,10,13-hexamethyl-6,13-bis(phenylmethoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,8,11-Tetraazacyclotetradecane-5,12-dione, 3,3,6,10,10,13-hexamethyl-6,13-bis(phenylmethoxy)-",NA,"CC1(CNCC(C(=O)NC(CNCC(C(=O)N1)(C)OCC2=CC=CC=C2)(C)C)(C)OCC3=CC=CC=C3)C","JSBUWPSHJRQPDC-UHFFFAOYSA-N",373031,NA,"PDBC07761","648864","Present",NA,NA
+"7762","1,4,8,11-Tetrathiacyclotetradecan-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TTCTOH",NA,"C1CSCCSCC(CSCCSC1)O","FQPIEYPGRXQIOL-UHFFFAOYSA-N",373840,NA,"PDBC07762","650803","Present",NA,NA
+"7763","1,4,8,12-Tetrathiacyclopentadecan-10-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,8,12-Tetrathiacyclopentadecan-10-ol",NA,"C1CSCCSCCCSCC(CSC1)O","SYNMNJZCAZVNMH-UHFFFAOYSA-N",373841,NA,"PDBC07763","650804","Present",NA,NA
+"7764","1,4,8,12-Tetrathiacyclopentadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,8,12-Tetrathiacyclopentadecane",NA,"C1CSCCCSCCSCCCSC1","MKHVDPYGWBRAKU-UHFFFAOYSA-N",373843,NA,"PDBC07764","650806","Present",NA,NA
+"7765","1,4,8,9-Tetrakis(methoxycarbonyl)-7-[4-(3-(2-f uranyl)propenoyloxy)phenyl]bicyclo[3.3.1]non-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(3-...",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)C=CC4=CC=CO4","ZULQUGRZOVZALE-GSUJCXRSSA-N",54717815,NA,"PDBC07765","731862","Present",NA,NA
+"7766","1,4,8,9-Tetrakis(methoxycarbonyl)-7-[4-(imidaz ole-1-carboxoyloxy)phenyl]bicyclo[3.3.1]non-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-[4-(im...",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)N4C=CN=C4","ICCPNWGBGWFIBU-PPECVAEOSA-N",54717814,NA,"PDBC07766","730185","Present",NA,NA
+"7767","1,4,8,9-Tetrakis(methoxycarbonyl)-7-{4-[2(4-is obutylphenyl)propanoyloxy]phenyl}bicyclo[3.3.1]non-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dihydroxy-2,4,8,9-tetrakis(methoxycarbonyl)-7-{4-[2(...",NA,"CC(C)CC1=CC=C(C=C1)C(C)C(=O)OC2=CC=C(C=C2)C3CC4C(C(C3C(=O)OC)(C(C(=C4C(=O)OC)O)C(=O)OC)O)C(=O)OC","VFMMBXICEGCFOF-FOEDEYGYSA-N",54717813,NA,"PDBC07767","730184","Present",NA,NA
+"7768","1,4,8-Triazatetracyclo[7.7.0.02,7.010,15]hexadeca-2(7),3,5,8,10,12,14-heptaen-16-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Pyrido[4',3':4,5]imidazo[2,1-a]isoindol-10-one",NA,"C1=CC=C2C(=C1)C3=NC4=C(N3C2=O)C=NC=C4","HJKJCXCLGQRUCC-UHFFFAOYSA-N",377705,NA,"PDBC07768","659296","Present",NA,NA
+"7769","1,4,8-Trimethyl-12-quinolino[2,3-b]quinolinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766691",NA,"CC1=CC2=NC3=NC4=C(C=CC(=C4C(=C3C=C2C=C1)N)C)C","MLCOGORERKDZTI-UHFFFAOYSA-N",865238,NA,"PDBC07769","766691","Present",NA,NA
+"7770","1,4,8-Trioxaspiro[4.6]undecan-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,8-Trioxaspiro[4.6]undecan-9-one",NA,"C1CC2(CCOC1=O)OCCO2","JTSACWLMMPZTEH-UHFFFAOYSA-N",397423,NA,"PDBC07770","705169","Present",NA,NA
+"7771","1,4,9,10-Anthracenetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,9,10-Anthracenetetrone",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=O)C=CC3=O","KNCZUXHSQJQWIB-UHFFFAOYSA-N",137169,NA,"PDBC07771","174128","Present",NA,NA
+"7772","1,4,9-Trithia-trindene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,8,15-Trithiatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene",NA,"C1=CSC2=C3C=CSC3=C4C(=C21)C=CS4","RBFKZOKVFNBXTJ-UHFFFAOYSA-N",395542,NA,"PDBC07772","700234","Present",NA,NA
+"7773","1,4-Anhydro-2-deoxy-1-(2,4,5-trimethylphenyl)pentitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-5-(2,4,5-trimethylphenyl)tetrahydrofuran-3-ol",NA,"CC1=CC(=C(C=C1C)C2CC(C(O2)CO)O)C","CXXDMKLMHJBPBQ-UHFFFAOYSA-N",382446,NA,"PDBC07773","670012","Present",NA,NA
+"7774","1,4-Anhydro-2-deoxy-1-(2,4-difluoro-5-methylphenyl)pentitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Difluoro-5-methyl-phenyl)-2-(hydroxymethyl)tetrahydrofuran-3-ol",NA,"CC1=CC(=C(C=C1F)F)C2CC(C(O2)CO)O","VZSIWTWOIQVYAZ-UHFFFAOYSA-N",382445,NA,"PDBC07774","670011","Present",NA,NA
+"7775","1,4-Anhydro-3,5-bis-O-(4-chlorobenzyl)-1-(4-methylphenyl)pentitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Chlorophenyl)methoxy]-5-[(4-chlorophenyl)methoxymethyl]-2-(p-tolyl)tetrahydrofuran-3-ol",NA,"CC1=CC=C(C=C1)C2C(C(C(O2)COCC3=CC=C(C=C3)Cl)OCC4=CC=C(C=C4)Cl)O","JCRFRNVHMVKZKM-UHFFFAOYSA-N",362352,NA,"PDBC07775","626097","Present",NA,NA
+"7776","1,4-Benzenediamine, N,N-dimethyl-N'-(1-phenylethylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Benzenediamine, N,N-dimethyl-N'-(1-phenylethylidene)-",NA,"CC(=NC1=CC=C(C=C1)N(C)C)C2=CC=CC=C2","JQTKLRWZPMSEKW-UHFFFAOYSA-N",353259,NA,"PDBC07776","600882","Present",NA,NA
+"7777","1,4-Benzenediamine, N1-9-acridinyl-2-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-benzenediamine, n1-9-acridinyl-2-methoxy-",NA,"COC1=C(C=CC(=C1)N)NC2=C3C=CC=CC3=NC4=CC=CC=C42","ZFZIUGOGRMNHQT-UHFFFAOYSA-N",334401,NA,"PDBC07777","339496","Present",NA,NA
+"7778","1,4-Benzenediol, 2-(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-28952",NA,"C1=CC=C(C=C1)CC2=C(C=CC(=C2)O)O","NEWPHVNFSATQRX-UHFFFAOYSA-N",74354,NA,"PDBC07778","99303","Present",NA,NA
+"7779","1,4-Benzenediol, 2-octyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroquinone, octyl-",NA,"CCCCCCCCC1=C(C=CC(=C1)O)O","ZZXILYOBAFPJNS-UHFFFAOYSA-N",74352,NA,"PDBC07779","99310","Present",NA,NA
+"7780","1,4-Benzodioxin-2-carboxamide, 6-(4-oxo-4-H-1-benzopyran-2-yl)-N-(3-pyridinylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Benzodioxin-2-carboxamide, 6-(4-oxo-4-H-1- benzopyra...",NA,"C1C(OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3)C(=O)NCC5=CN=CC=C5","CQMNZRRKXROANJ-UHFFFAOYSA-N",361051,NA,"PDBC07780","623794","Present",NA,NA
+"7781","1,4-Benzodioxine-2,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DRVWQGVLMRLICO-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)OC(=C(O2)C(=O)O)C(=O)O","DRVWQGVLMRLICO-UHFFFAOYSA-N",357618,NA,"PDBC07781","617142","Present",NA,NA
+"7782","1,4-Benzotriazin-6-propenoic acid, methyl ester (94:6 E/Z mixture)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4-Benzotriazin-6-propenoic acid, methyl ester (94:6 ...",NA,"COC(=O)C=CC1=CC2=C(C=C1)N=NC=N2.COC(=O)C=CC1=CC2=C(C=C1)N=NC=N2","XTOPZQJQRDDCNE-SYXICLKWSA-N",5387496,NA,"PDBC07782","624254","Present",NA,NA
+"7783","1,4-Biphenylene-bis(triphenylphosphonium) dibromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-biphenylene-bis(triphenylphosphonium) dibromide",NA,"C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)C5=CC=C(C=C5)[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-]","JMDPFOVNHADRDG-UHFFFAOYSA-M",54610386,NA,"PDBC07783","173778","Present",NA,NA
+"7784","1,4-Bis((2,5-dichlorophenyl)sulfonyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis((2,5-dichlorophenyl)sulfonyl)piperazine",NA,"C1CN(CCN1S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl","NQSRRVDPIUHVKK-UHFFFAOYSA-N",386372,NA,"PDBC07784","678256","Present",NA,NA
+"7785","1,4-Bis((4-(dimethylamino)butyl)amino)-5,8-dihydroxy-9,10-anthracenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Anthracenedione, 1,4-bis[[4-(dimethylamino)butyl]am...",NA,"CN(C)CCCCNC1=C2C(=C(C=C1)NCCCCN(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O","LPSUCJBWBVUILJ-UHFFFAOYSA-N",72736,NA,"PDBC07785","186848","Present",NA,NA
+"7786","1,4-Bis((4-chlorophenoxy)acetyl)-1,2,3,4-tetrahydroquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis((4-chlorophenoxy)acetyl)-1,2,3,4-tetrahydroquinoxaline",NA,"C1CN(C2=CC=CC=C2N1C(=O)COC3=CC=C(C=C3)Cl)C(=O)COC4=CC=C(C=C4)Cl","PDFJVKIAUGLZCG-UHFFFAOYSA-N",371919,NA,"PDBC07786","646503","Present",NA,NA
+"7787","1,4-Bis((4-methylphenyl)dithio)-2,3-butanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624153///NSC624154",NA,"CC1=CC=C(C=C1)SSCC(C(CSSC2=CC=C(C=C2)C)O)O","FMZZGVNNDQNDED-UHFFFAOYSA-N",361191,NA,"PDBC07787","624153///624154","Present",NA,NA
+"7788","1,4-Bis((oxiranylmethyl)amino)-9,10-anthracenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"st-daae-1,4-(ii)",NA,"C1C(O1)CNC2=C3C(=C(C=C2)NCC4CO4)C(=O)C5=CC=CC=C5C3=O","LGYRALFKRRVBET-UHFFFAOYSA-N",100214,NA,"PDBC07788","380212","Present",NA,NA
+"7789","1,4-Bis(1,4-dicyano-2-butyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-15270",NA,"C1CN(CCN1C(CCC#N)CC#N)C(CCC#N)CC#N","LGQVPACUGWLKCJ-UHFFFAOYSA-N",377589,NA,"PDBC07789","659156","Present",NA,NA
+"7790","1,4-Bis(1-phenylethyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(1-phenylethyl)piperazine",NA,"CC(C1=CC=CC=C1)N2CCN(CC2)C(C)C3=CC=CC=C3","FQNIOAVLCZLWON-UHFFFAOYSA-N",224749,NA,"PDBC07790","13512","Present",NA,NA
+"7791","1,4-Bis(1H-imidazol-2-ylmethyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(1H-imidazol-2-ylmethyl)piperazine",NA,"C1CN(CCN1CC2=NC=CN2)CC3=NC=CN3","XTNZWHFJUQTAIL-UHFFFAOYSA-N",272245,NA,"PDBC07791","116533","Present",NA,NA
+"7792","1,4-Bis(2,2,6,6-tetramethyl-4-piperidinyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(2,2,6,6-tetramethyl-4-piperidinyl)piperazine",NA,"CC1(CC(CC(N1)(C)C)N2CCN(CC2)C3CC(NC(C3)(C)C)(C)C)C","ZMSOWGAYZMVMPV-UHFFFAOYSA-N",365209,NA,"PDBC07792","632537","Present",NA,NA
+"7793","1,4-Bis(2,3-dihydroxypropylamino)anthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HC Blue no. 14",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCC(CO)O)NCC(CO)O","AQNZDXHBYRTSHA-UHFFFAOYSA-N",384121,NA,"PDBC07793","673351","Present",NA,NA
+"7794","1,4-Bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane;1,1-dioxo-1,2-benzothiazol-3-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Diazoniabicyclo[2.2.1]heptane, 1,4-bis(2-chloroethyl...",NA,"C1C[N+]2(CC[N+]1(C2)CCCl)CCCl.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]","JZKJKCNADZAUSH-UHFFFAOYSA-M",5458511,NA,"PDBC07794","267235","Present",NA,NA
+"7795","1,4-Bis(2-ethoxyethoxy)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(2-ethoxyethoxy)benzene",NA,"CCOCCOC1=CC=C(C=C1)OCCOCC","XVXKTCGFRFLJPF-UHFFFAOYSA-N",358350,NA,"PDBC07795","618317","Present",NA,NA
+"7796","1,4-Bis(2-furyl)-2-(3-thienyl)butane-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Di(2-furyl)-2-(3-thienyl)-1,4-butanedione",NA,"C1=COC(=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=CO3","KPVREZKVTKBAAE-UHFFFAOYSA-N",395528,NA,"PDBC07796","700218","Present",NA,NA
+"7797","1,4-Bis(2-methoxyethoxymethoxy)anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(2-methoxyethoxymethoxy)anthracene-9,10-dione",NA,"COCCOCOC1=C2C(=C(C=C1)OCOCCOC)C(=O)C3=CC=CC=C3C2=O","XQLPSNMIZICTAW-UHFFFAOYSA-N",358259,NA,"PDBC07797","618202","Present",NA,NA
+"7798","1,4-Bis(2-methylaziridin-1-yl)butane-2,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Butanediol, 1,4-bis(2-methyl-1-aziridinyl)- (8CI)",NA,"CC1CN1CC(C(CN2CC2C)O)O","JIXGRSTZINBWQO-UHFFFAOYSA-N",254975,NA,"PDBC07798","80103","Present",NA,NA
+"7799","1,4-Bis(2-methylbenzoyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(2-methylbenzoyl)piperazine",NA,"CC1=CC=CC=C1C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3C","YTKABHKOSIOQRN-UHFFFAOYSA-N",365210,NA,"PDBC07799","632538","Present",NA,NA
+"7800","1,4-Bis(2-naphthylsulfonyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-205/05873030",NA,"C1CN(CCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC5=CC=CC=C5C=C4","VKMRIXLRGPESPU-UHFFFAOYSA-N",235633,NA,"PDBC07800","37245","Present",NA,NA
+"7801","1,4-Bis(3-methyl-2-butenoyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(3-methyl-2-butenoyl)piperazine",NA,"CC(=CC(=O)N1CCN(CC1)C(=O)C=C(C)C)C","ZKNHBSVPDZYJAT-UHFFFAOYSA-N",365212,NA,"PDBC07801","632540","Present",NA,NA
+"7802","1,4-Bis(3-methylbutanoyl)-1,2,3,4-tetrahydroquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(3-methylbutanoyl)-1,2,3,4-tetrahydroquinoxaline",NA,"CC(C)CC(=O)N1CCN(C2=CC=CC=C21)C(=O)CC(C)C","ZISLECGKUMKXQZ-UHFFFAOYSA-N",371898,NA,"PDBC07802","646482","Present",NA,NA
+"7803","1,4-Bis(3-thienyl)butane-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Di(3'-thienyl)1,4-butanedione",NA,"C1=CSC=C1C(=O)CCC(=O)C2=CSC=C2","JMMOGNMGICVYJG-UHFFFAOYSA-N",395504,NA,"PDBC07803","700146","Present",NA,NA
+"7804","1,4-Bis(4-dimethylaminostyryl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(4-dimethylaminostyryl)benzene",NA,"CN(C)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C=CC3=CC=C(C=C3)N(C)C","FQSHCTXVYDFFOB-WGDLNXRISA-N",5387814,NA,"PDBC07804","627662","Present",NA,NA
+"7805","1,4-Bis(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(4-methylbenzoyl)-1,2,3,4-tetrahydroquinoxaline",NA,"CC1=CC=C(C=C1)C(=O)N2CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)C","GZDWVOAMWISEQR-UHFFFAOYSA-N",371920,NA,"PDBC07805","646504","Present",NA,NA
+"7806","1,4-Bis(5-acetyl-4,7-dimethoxybenzofuran-6-yloxy)butane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-bis(5-acetyl-4,7-dimethoxybenzofuran-6-yloxy)butane",NA,"CC(=O)C1=C(C2=C(C(=C1OCCCCOC3=C(C4=C(C=CO4)C(=C3C(=O)C)OC)OC)OC)OC=C2)OC","COMZVXDOQNNTIT-UHFFFAOYSA-N",10239474,NA,"PDBC07806","743185","Present",NA,NA
+"7807","1,4-Bis(bromomethyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-xylylene dibromide",NA,"C1=CC(=CC=C1CBr)CBr","RBZMSGOBSOCYHR-UHFFFAOYSA-N",69335,NA,"PDBC07807","6226","Present",NA,NA
+"7808","1,4-Bis(chloromethyl)-2-nitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-026253",NA,"C1=CC(=C(C=C1CCl)[N+](=O)[O-])CCl","AJBJABQEANMSMG-UHFFFAOYSA-N",352121,NA,"PDBC07808","525118","Present",NA,NA
+"7809","1,4-Bis(diethoxyphosphorylmethyl)-1,4,7-triazonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(diethoxyphosphorylmethyl)-1,4,7-triazonane",NA,"CCOP(=O)(CN1CCNCCN(CC1)CP(=O)(OCC)OCC)OCC","WREFZCRJNXBADO-UHFFFAOYSA-N",393899,NA,"PDBC07809","696859","Present",NA,NA
+"7810","1,4-Bis(fluoromethanesulfonyloxy)-butane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-bis(fluoromethanesulfonyloxy)-butane",NA,"C(CCOS(=O)(=O)CF)COS(=O)(=O)CF","ISIGLRLLIAZYJG-UHFFFAOYSA-N",365755,NA,"PDBC07810","633784","Present",NA,NA
+"7811","1,4-Bis(oxiran-2-ylmethoxy)anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(oxiran-2-ylmethoxy)anthracene-9,10-dione",NA,"C1C(O1)COC2=C3C(=C(C=C2)OCC4CO4)C(=O)C5=CC=CC=C5C3=O","TVXSGQKVOUXJCZ-UHFFFAOYSA-N",176718,NA,"PDBC07811","673350","Present",NA,NA
+"7812","1,4-Bis(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(phenylsulfonyl)-1,2,3,4-tetrahydroquinoxaline",NA,"C1CN(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","GWRPVMKQEIVDKV-UHFFFAOYSA-N",250569,NA,"PDBC07812","70127","Present",NA,NA
+"7813","1,4-Bis[(4-bromophenyl)sulfonyl]piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AF-399/14739252",NA,"C1CN(CCN1S(=O)(=O)C2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Br","DDRUIQJRPPUKBI-UHFFFAOYSA-N",242937,NA,"PDBC07813","52003","Present",NA,NA
+"7814","1,4-Bis[10-[ethyl-[(2-methoxyphenyl)methyl]amino]decyl]piperazine-2,5-dione;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis-{10-[ethyl-(2-methoxy-benzyl)-amino]-decyl}-pipe...",NA,"CCN(CCCCCCCCCCN1CC(=O)N(CC1=O)CCCCCCCCCCN(CC)CC2=CC=CC=C2OC)CC3=CC=CC=C3OC.C(=O)(C(=O)O)O","DVFLHVZSQAONKP-UHFFFAOYSA-N",54613232,NA,"PDBC07814","750891","Present",NA,NA
+"7815","1,4-Bis[2-(4-methoxyphenyl)ethyl]piperazine;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis[2-(4-methoxyphenyl)ethyl]piperazine;(Z)-but-2-enedioic acid",NA,"COC1=CC=C(C=C1)CCN2CCN(CC2)CCC3=CC=C(C=C3)OC.C(=CC(=O)O)C(=O)O","QENQSBMPLQAIJN-BTJKTKAUSA-N",5471946,NA,"PDBC07815","715542","Present",NA,NA
+"7816","1,4-Bis[2-amino-4-(2-hydroxy-5-methylphenyl)thiazole]methyl piperizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-bis[2-amino-4-(2-hydroxy-5-methylphenyl)thiazole]met...",NA,"CC1=CC(=C(C=C1)O)C2=CSC(=N2)NCN3CCN(CC3)CNC4=NC(=CS4)C5=C(C=CC(=C5)C)O","ZQGTYHJKDCPYQN-UHFFFAOYSA-N",399969,NA,"PDBC07816","711121","Present",NA,NA
+"7817","1,4-Bis[3-(1-naphthylmethylamino)propyl]piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis[3-(1-naphthylmethylamino)propyl]piperazine",NA,"C1CN(CCN1CCCNCC2=CC=CC3=CC=CC=C32)CCCNCC4=CC=CC5=CC=CC=C54","ZQIIXAMHFLUAFR-UHFFFAOYSA-N",364094,NA,"PDBC07817","629735","Present",NA,NA
+"7818","1,4-Bis[3-[3-(1-naphthyl)ureido]propyl]piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis[3-[3-(1-naphthyl)ureido]propyl]piperazine",NA,"C1CN(CCN1CCCNC(=O)NC2=CC=CC3=CC=CC=C32)CCCNC(=O)NC4=CC=CC5=CC=CC=C54","JLVXZOXKBTUPCY-UHFFFAOYSA-N",387929,NA,"PDBC07818","682234","Present",NA,NA
+"7819","1,4-Bis[4-(1H-benzimidazol-2-yl)phenyl]piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-bis[4-(1H-benzimidazol-2-yl)phenyl]piperazine",NA,"C1CN(CCN1C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)C6=NC7=CC=CC=C7N6.Cl","JSKIPOMMYWRTKJ-UHFFFAOYSA-N",24202806,NA,"PDBC07819","725993","Present",NA,NA
+"7820","1,4-Bis[[(E)-2-(4-fluorophenyl)vinyl]sulfonylmethyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis[[(E)-2-(4-fluorophenyl)vinyl]sulfonylmethyl]benzene",NA,"C1=CC(=CC=C1CS(=O)(=O)C=CC2=CC=C(C=C2)F)CS(=O)(=O)C=CC3=CC=C(C=C3)F","KHIKAWPBFCLNAD-WXUKJITCSA-N",5388092,NA,"PDBC07820","631693","Present",NA,NA
+"7821","1,4-Bis[[2-hydroxy-3-(propylamino)propyl]amino]anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Anthracenedione, 1,4-bis[[2-hydroxy-3-(propylamino)...",NA,"CCCNCC(CNC1=C2C(=C(C=C1)NCC(CNCCC)O)C(=O)C3=CC=CC=C3C2=O)O","WCRQCMGSZFHMTN-UHFFFAOYSA-N",384120,NA,"PDBC07821","673349","Present",NA,NA
+"7822","1,4-Butanediamine, N,N'-diethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n,n'-diethylbutylenediamine",NA,"CCNCCCCNCC","WHDUKLPCKZTPFY-UHFFFAOYSA-N",88062,NA,"PDBC07822","166327","Present",NA,NA
+"7823","1,4-Butanedione, 1,4-diphenyl-2,3-epoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T3OTJ BVR& CVR",NA,"C1=CC=C(C=C1)C(=O)C2C(O2)C(=O)C3=CC=CC=C3","ADFLDJCSCJHDEY-UHFFFAOYSA-N",20502,NA,"PDBC07823","39792","Present",NA,NA
+"7824","1,4-Cubanedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Cubanedicarboxamide",NA,"C12C3C4C1(C5C2C3(C45)C(=O)N)C(=O)N","NWHUFDQYQYJTDD-UHFFFAOYSA-N",369224,NA,"PDBC07824","640930","Present",NA,NA
+"7825","1,4-Di(1-aziridinyl)-2,3-butanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(aziridin-1-yl)butane-2,3-diol",NA,"C1CN1CC(C(CN2CC2)O)O","COMAQBNTHGBLNQ-UHFFFAOYSA-N",24078,NA,"PDBC07825","41458","Present",NA,NA
+"7826","1,4-Di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Di(1H-benzimidazol-2-yl)-1,2,3,4-butanetetrol methanesulfonate",NA,"CS(=O)(=O)O.C1=CC=C2C(=C1)NC(=N2)C(C(C(C(C3=NC4=CC=CC=C4N3)O)O)O)O","JCPRLKBUWUVXNW-UHFFFAOYSA-N",5351931,NA,"PDBC07826","96948","Present",NA,NA
+"7827","1,4-Di-N-oxide-2-acethyl-3-trifluoromethylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-acethyl-3-trifluoromethylquinoxaline",NA,"CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F","OLTLCPGFNFJXOB-UHFFFAOYSA-N",406608,NA,"PDBC07827","724828","Present",NA,NA
+"7828","1,4-Di-N-oxide-2-etoxycarbonyl-3-trifluormethylquinoxaline.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-etoxycarbonyl-3-trifluormethylquinoxaline.",NA,"CCC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F","LHHMKRZKHLQBPP-UHFFFAOYSA-N",406027,NA,"PDBC07828","723909","Present",NA,NA
+"7829","1,4-Di-N-oxide-2-isopropylcarbonyl-3-trifluoromethylquinoxal ine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-isopropylcarbonyl-3-trifluoromethylquin...",NA,"CC(C)C(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F","VYXLHTDRCABXDG-UHFFFAOYSA-N",24202896,NA,"PDBC07829","726186","Present",NA,NA
+"7830","1,4-Di-N-oxide-2-phenylcarbonyl-3-trifluoromethylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-phenylcarbonyl-3-trifluoromethylquinoxa...",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C(F)(F)F","XVCGPNCBQNYBMA-UHFFFAOYSA-N",405497,NA,"PDBC07830","722854","Present",NA,NA
+"7831","1,4-Diacetoxynaphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Diacetoxynaphthalene",NA,"CC(=O)OC1=CC=C(C2=CC=CC=C21)OC(=O)C","SFAVMNCWIUOBCX-UHFFFAOYSA-N",79775,NA,"PDBC07831","30652","Present",NA,NA
+"7832","1,4-Diallyl-2,3,5,6-piperazinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Diallyl-2,3,5,6-piperazinetetrone",NA,"C=CCN1C(=O)C(=O)N(C(=O)C1=O)CC=C","JMSZMHHDUDZALN-UHFFFAOYSA-N",361889,NA,"PDBC07832","625234","Present",NA,NA
+"7833","1,4-Diallyl-3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Diallyl-3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione",NA,"CC12CC(=O)C(C1(CC(=O)C2CC=C)C)CC=C","YBOIABIWEKRFCE-UHFFFAOYSA-N",363104,NA,"PDBC07833","627674","Present",NA,NA
+"7834","1,4-Diamino-2,3-dimethoxy-6,8-dimethyl-7H-benzo[a]cyclohepten-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Diamino-2,3-dimethoxy-6,8-dimethyl-7H-benzo[a]cyclohepten-7-one",NA,"CC1=CC2=C(C=C(C1=O)C)C(=C(C(=C2N)OC)OC)N","OQNVBWBPFVGHIX-UHFFFAOYSA-N",373410,NA,"PDBC07834","649665","Present",NA,NA
+"7835","1,4-Diamino-3,6-dimethyl-2,5-pentalenedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Diamino-3,6-dimethyl-2,5-pentalenedicarbonitrile",NA,"CC1=C(C(=C2C1=C(C(=C2C)C#N)N)N)C#N","WMFZIMVIYDKMKV-UHFFFAOYSA-N",361862,NA,"PDBC07835","625183","Present",NA,NA
+"7836","1,4-Diamino-5-nitroanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitrocresolamine",NA,"C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)N)N","SDICTISQCKLMEB-UHFFFAOYSA-N",4421615,NA,"PDBC07836","81260","Present",NA,NA
+"7837","1,4-Diaminoanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"krisolamine",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)N)N","FBMQNRKSAWNXBT-UHFFFAOYSA-N",31420,NA,"PDBC07837","7833","Present",NA,NA
+"7838","1,4-Dibenzyl-6-(phenylsulfonyl)-1,4-diazepane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dibenzyl-6-(phenylsulfonyl)-1,4-diazepane",NA,"C1CN(CC(CN1CC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)CC4=CC=CC=C4","SZDFOTCYTLGZIY-UHFFFAOYSA-N",361157,NA,"PDBC07838","623989","Present",NA,NA
+"7839","1,4-Dibromo-1,4-dinitrocyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC281693",NA,"C1CC(CCC1([N+](=O)[O-])Br)([N+](=O)[O-])Br","GGEBPNFRWOARLN-UHFFFAOYSA-N",322988,NA,"PDBC07839","281693","Present",NA,NA
+"7840","1,4-Dicarboxylic acid, 2,3-dihydroxy-, dimethyl ester, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Cyclohexadiene-1,4-dicarboxylic acid, 2,3-dihydroxy-...",NA,"COC(=O)C1=C(C(=C(CC1)C(=O)OC)O)O.[Na+]","HVKJIDRVLYMATC-UHFFFAOYSA-N",54723280,NA,"PDBC07840","632937","Present",NA,NA
+"7841","1,4-Dichloro-2,5-bis[(E)-2-nitroethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1,4-dichloro-2,5-bis(2-nitroethenyl)-",NA,"C1=C(C(=CC(=C1Cl)C=C[N+](=O)[O-])Cl)C=C[N+](=O)[O-]","DFJKZFPZBIIMAS-ZPUQHVIOSA-N",21140908,NA,"PDBC07841","351239","Present",NA,NA
+"7842","1,4-Dichloro-7,7-dimethoxybicyclo[2.2.1]hept-2-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dichloro-7,7-dimethoxybicyclo[2.2.1]hept-2-yl acetate",NA,"CC(=O)OC1CC2(CCC1(C2(OC)OC)Cl)Cl","SNARFCHDDVFFME-UHFFFAOYSA-N",380733,NA,"PDBC07842","666440","Present",NA,NA
+"7843","1,4-Dihydro-2,3-benzodithiine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydro-2,3-benzodithiine 2-oxide",NA,"C1C2=CC=CC=C2CS(=O)S1","VORNVNVQZGBFKO-UHFFFAOYSA-N",361199,NA,"PDBC07843","624163","Present",NA,NA
+"7844","1,4-Dihydropyridazino[1,2-b]phthalazine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K12582630-001-01-4",NA,"C1C=CCN2N1C(=O)C3=CC=CC=C3C2=O","JNCDYRQRBJYFFX-UHFFFAOYSA-N",363032,NA,"PDBC07844","627576","Present",NA,NA
+"7845","1,4-Dihydropyridazino[1,2-b]phthalazine-6,11-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydropyridazino[1,2-b]phthalazine-6,11-dithione",NA,"C1C=CCN2N1C(=S)C3=CC=CC=C3C2=S","OEHSNIKAXGMRMW-UHFFFAOYSA-N",363031,NA,"PDBC07845","627575","Present",NA,NA
+"7846","1,4-Dihydroxy-2,3-bis(prop-1-ynyl)anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydroxy-2,3-di(prop-1-yn-1-yl)anthracene-9,10-dione",NA,"CC#CC1=C(C(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O)C#CC","ULSVJTHNGLZKJK-UHFFFAOYSA-N",374058,NA,"PDBC07846","651314","Present",NA,NA
+"7847","1,4-Dihydroxy-2-[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Anthracenedione, 1,4-dihydroxy-2-[[2-[(2-hydroxyeth...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCNCCO)O","QVDYNRJLVYYQRZ-UHFFFAOYSA-N",432860,NA,"PDBC07847","316157","Present",NA,NA
+"7848","1,4-Dihydroxy-2-[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydroxy-2-[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)NCCCNCCO)O","VKQCDUDECMFRJO-UHFFFAOYSA-N",432861,NA,"PDBC07848","316158","Present",NA,NA
+"7849","1,4-Dihydroxy-9(10H)-acridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydroxy-9(10H)-acridinone",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)O)O","JELGJYKLOMUUTO-UHFFFAOYSA-N",5387718,NA,"PDBC07849","625991","Present",NA,NA
+"7850","1,4-Dihydroxy-9,10-dioxoanthracene-2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Quinizarindicarbonitrile",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C(=C(C(=C3C2=O)O)C#N)C#N)O","XZPHNGYVABZCEK-UHFFFAOYSA-N",410191,NA,"PDBC07850","27034","Present",NA,NA
+"7851","1,4-Dihydroxyanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quinizarin",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O","GUEIZVNYDFNHJU-UHFFFAOYSA-N",6688,NA,"PDBC07851","15367","Present",NA,NA
+"7852","1,4-Dimethoxy-10H-acridine-9-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9(10H)-Acridinethione, 1,4-dimethoxy-",NA,"COC1=C2C(=C(C=C1)OC)NC3=CC=CC=C3C2=S","KFAKESMKRPNZTM-UHFFFAOYSA-N",3004085,NA,"PDBC07852","625987","Present",NA,NA
+"7853","1,4-Dimethoxy-2,3-bis(prop-1-ynyl)anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethoxy-2,3-di(prop-1-yn-1-yl)anthracene-9,10-dione",NA,"CC#CC1=C(C(=C2C(=C1OC)C(=O)C3=CC=CC=C3C2=O)OC)C#CC","QFISLFPXRHAADL-UHFFFAOYSA-N",374059,NA,"PDBC07853","651315","Present",NA,NA
+"7854","1,4-Dimethoxy-2-[(4-methoxyphenyl)sulfanylmethyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethoxy-2-[(4-methoxyphenyl)sulfanylmethyl]benzene",NA,"COC1=CC=C(C=C1)SCC2=C(C=CC(=C2)OC)OC","GJHACXPIFHYIEZ-UHFFFAOYSA-N",384133,NA,"PDBC07854","673420","Present",NA,NA
+"7855","1,4-Dimethoxy-2-[(4-methoxyphenyl)sulfinylmethyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethoxybenzyl 4-methoxyphenyl sulfoxide",NA,"COC1=CC=C(C=C1)S(=O)CC2=C(C=CC(=C2)OC)OC","JUHWKKKZJJGMMI-UHFFFAOYSA-N",384135,NA,"PDBC07855","673422","Present",NA,NA
+"7856","1,4-Dimethoxy-2-[(E)-2-nitroethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Styrene, 2,5-dimethoxy-.beta.-nitro-///NSC610188",NA,"COC1=CC(=C(C=C1)OC)C=C[N+](=O)[O-]","IRRZIWHEPWPPJF-AATRIKPKSA-N",5375912,NA,"PDBC07856","158921///610188","Present",NA,NA
+"7857","1,4-Dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethoxy-2-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]naphthalene",NA,"CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)OC)OC","BXTXYPSBCALRCV-UYWSHKLTSA-N",5469377,NA,"PDBC07857","687150","Present",NA,NA
+"7858","1,4-Dimethoxy-2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethoxy-2-methyl-3-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene",NA,"CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)OC)OC","KSMNGEPNRHMKHQ-HPNDGRJYSA-N",5469371,NA,"PDBC07858","687144","Present",NA,NA
+"7859","1,4-Dimethoxy-7,12-dimethylbenzo[a]anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethoxy-7,12-dimethylbenz[a]anthracene",NA,"CC1=C2C=CC3=C(C=CC(=C3C2=C(C4=CC=CC=C14)C)OC)OC","MAHXOZGHSVXBGT-UHFFFAOYSA-N",383210,NA,"PDBC07859","671326","Present",NA,NA
+"7860","1,4-Dimethoxy-7-bromo-5H-benzocycloheptene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethoxy-7-bromo-5H-benzocycloheptene",NA,"COC1=C2CC=C(C=CC2=C(C=C1)OC)Br","PFZHINPSVZUXLC-UHFFFAOYSA-N",384503,NA,"PDBC07860","674351","Present",NA,NA
+"7861","1,4-Dimethoxy-9-acridanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethoxy-9-acridanone",NA,"COC1=C2C(=C(C=C1)OC)NC3=CC=CC=C3C2=O","QKVCYGPAEDHOCX-UHFFFAOYSA-N",362329,NA,"PDBC07861","625988","Present",NA,NA
+"7862","1,4-Dimethyl-2,6-diphenyl-piperidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethyl-2,6-diphenyl-piperidin-4-ol",NA,"CC1(CC(N(C(C1)C2=CC=CC=C2)C)C3=CC=CC=C3)O","YKVNCLSIBPRPTL-UHFFFAOYSA-N",339054,NA,"PDBC07862","363972","Present",NA,NA
+"7863","1,4-Dimethyl-3-phenylpyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethyl-3-phenylpyrazino[1,2-a]benzimidazole",NA,"CC1=C(N=C(C2=NC3=CC=CC=C3N12)C)C4=CC=CC=C4","WLHLQWNVRWRKRJ-UHFFFAOYSA-N",384473,NA,"PDBC07863","674275","Present",NA,NA
+"7864","1,4-Dimethyl-5,6-dihydrobenzo[c]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethyl-5,6-dihydrobenzo[c]acridine",NA,"CC1=C2CCC3=CC4=CC=CC=C4N=C3C2=C(C=C1)C","OTMRTVOVSLBWCK-UHFFFAOYSA-N",371224,NA,"PDBC07864","645281","Present",NA,NA
+"7865","1,4-Dimethyl-8-(2-(2-pyridinyl)ethyl)-1,4,8,11-tetraazacyclotetradecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethyl-8-(2-(2-pyridinyl)ethyl)-1,4,8,11-tetraazacyclotetradecane",NA,"CN1CCCNCCN(CCCN(CC1)C)CCC2=CC=CC=N2","YRVNCVABXMBHRD-UHFFFAOYSA-N",369506,NA,"PDBC07865","641286","Present",NA,NA
+"7866","1,4-Dimethyl-9,10-bis(2-phenylethynyl)anthracene-9,10-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethyl-9,10-bis(2-phenylethynyl)anthracene-9,10-diol",NA,"CC1=C2C(=C(C=C1)C)C(C3=CC=CC=C3C2(C#CC4=CC=CC=C4)O)(C#CC5=CC=CC=C5)O","LIJDDZSESNXDAV-UHFFFAOYSA-N",323138,NA,"PDBC07866","281971","Present",NA,NA
+"7867","1,4-Dimethyl-9H-indeno(1,2-d)(1,2)oxathiin-9-one 3,3-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Indeno[1,2-d][1,2]oxathiin-9-one, 1,4-dimethyl-, 3,3-...",NA,"CC1=C2C(=C(S(=O)(=O)O1)C)C3=CC=CC=C3C2=O","JRQQRWJXBFEGRH-UHFFFAOYSA-N",296536,NA,"PDBC07867","166739","Present",NA,NA
+"7868","1,4-Dimethylpyrido[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethylpyrido[1,2-a]benzimidazole",NA,"CC1=CC=C(N2C1=NC3=CC=CC=C32)C","WDJODMMCUIFZJS-UHFFFAOYSA-N",378347,NA,"PDBC07868","660429","Present",NA,NA
+"7869","1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dioxaspiro[4.5]dec-7-ene-7-carboxaldehyde",NA,"C1CC2(CC(=C1)C=O)OCCO2","YJFXAKDYLWSIIN-UHFFFAOYSA-N",359537,NA,"PDBC07869","620520","Present",NA,NA
+"7870","1,4-Dioxidopyrido[4,3-e][1,2,4]triazine-1,4-diium-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dioxidopyrido[4,3-e][1,2,4]triazine-1,4-diium-3-amine",NA,"C1=CN=CC2=C1[N+](=C(N=[N+]2[O-])N)[O-]","BFCNWROUWVVSLR-UHFFFAOYSA-N",135429923,NA,"PDBC07870","611393","Present",NA,NA
+"7871","1,4-Ditert-butyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Ditert-butyl-1,2,4-triazolidine-3,5-dione",NA,"CC(C)(C)N1C(=O)NN(C1=O)C(C)(C)C","IKNPRCQGQMFDNS-UHFFFAOYSA-N",391912,NA,"PDBC07871","691593","Present",NA,NA
+"7872","1,4-Ditert-butyl-2-phenyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Ditert-butyl-2-phenyl-1,2,4-triazolidine-3,5-dione",NA,"CC(C)(C)N1C(=O)N(N(C1=O)C(C)(C)C)C2=CC=CC=C2","YFSFQHRQQABWMT-UHFFFAOYSA-N",390098,NA,"PDBC07872","687041","Present",NA,NA
+"7873","1,4-Dithiane-2,3,5,6-tetrone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dithiane-2,3,5,6-tetrone oxime",NA,"C1(=C(SC(=NO)C(=NO)S1)N=O)NO","QQYTXHCUIMDIPN-VHOZIDCHSA-N",135493979,NA,"PDBC07873","686482","Present",NA,NA
+"7874","1,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]-N,N-dimethyl-, monohydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4-Dithiazol-3-amine, 5-[(2-furanyl)methylimino]- N,N...",NA,"CN(C)C1=NC(=NCC2=CC=CO2)SS1.Br","VVZWMEHUXGPOIY-UHFFFAOYSA-N",360474,NA,"PDBC07874","622608","Present",NA,NA
+"7875","1,4-Ditosyl-1,4-diazepane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QC-48",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C","ORANQSHSAIBPEC-UHFFFAOYSA-N",373718,NA,"PDBC07875","650619","Present",NA,NA
+"7876","1,4-Epoxy-1H-2,3-benzodioxepin, 5-chloro-4,5-dihydro-1,4-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Epoxy-1H-2,3-benzodioxepin, 5-chloro-4,5-dihydro-1,4-diphenyl-",NA,"C1=CC=C(C=C1)C23C(C4=CC=CC=C4C(O2)(OO3)C5=CC=CC=C5)Cl","OOWNMAQQRZZARS-UHFFFAOYSA-N",360981,NA,"PDBC07876","623712","Present",NA,NA
+"7877","1,4-Epoxyanthracene-2,2,3,3-tetracarbonitrile, 1,4-dihydro-1,4-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Epoxyanthracene, 1,4-diphenyl-2,2,3,3-tetracyano- 1,...",NA,"C1=CC=C(C=C1)C23C4=CC5=CC=CC=C5C=C4C(O2)(C(C3(C#N)C#N)(C#N)C#N)C6=CC=CC=C6","QJJKHZQOOVMKJU-UHFFFAOYSA-N",363011,NA,"PDBC07877","627550","Present",NA,NA
+"7878","1,4-Epoxyanthracene-2,3-dicarboxylic acid, 1,4-dihydro-1,4-diphenyl-, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Epoxyanthracene-2,3-dicarboxylic acid, 1,4-dihydro-1,4-diphenyl-, dimethyl ester",NA,"COC(=O)C1=C(C2(C3=CC4=CC=CC=C4C=C3C1(O2)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC","IWYXQHXXXMOGCF-UHFFFAOYSA-N",363016,NA,"PDBC07878","627555","Present",NA,NA
+"7879","1,4-Epoxyisoquinoline, 1,4-dihydro-3-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Epoxyisoquinoline, 1,4-dihydro-3-phenyl-",NA,"C1=CC=C(C=C1)C2=NC3C4=CC=CC=C4C2O3","SUHOFGLAPMQIEI-UHFFFAOYSA-N",378708,NA,"PDBC07879","661813","Present",NA,NA
+"7880","1,4-Epoxynaphthalene-1(2H)-propanoic acid, 3,4-dihydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-trien-1-yl)propanoate",NA,"COC(=O)CCC12CCC(O1)C3=CC=CC=C23","RAEYJAPMCKFCSM-UHFFFAOYSA-N",384157,NA,"PDBC07880","673446","Present",NA,NA
+"7881","1,4-Ethano-5,8-methanonaphthalene-4a,8a-dicarboxylic acid, octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Ethano-5,8-methanonaphthalene-4a,8a-dicarboxylic acid, octahydro-",NA,"C1CC2CCC1C3(C2(C4CCC3C4)C(=O)O)C(=O)O","QFVWZVKEPRXVKZ-UHFFFAOYSA-N",380172,NA,"PDBC07881","665615","Present",NA,NA
+"7882","1,4-Ethanobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 1,4-dihydro-1-methyl-4-(1-methylethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Ethanobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 1,4-dihydro-1-methyl-4-(1-methylethyl)-",NA,"CC(C)C12CCC(C=C1)(N3N2C(=O)C4=CC5=CC=CC=C5C=C4C3=O)C","GTQKGZSMBCWFAA-UHFFFAOYSA-N",373134,NA,"PDBC07882","649076","Present",NA,NA
+"7883","1,4-Ethanobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione, 3-(acetyloxy)-1,4-dihydro-2-methyl-15-(1-methylethenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(18-Methyl-3,14-dioxo-20-prop-1-en-2-yl-2,15-diazapentacyclo[14.2.2.02,15.04,13.06,11]icosa-4,6,8,10,12,17-hexaen-17-yl) acetate",NA,"CC1=C(C2C(CC1N3N2C(=O)C4=CC5=CC=CC=C5C=C4C3=O)C(=C)C)OC(=O)C","UJLCVYUXORRAHT-UHFFFAOYSA-N",367860,NA,"PDBC07883","638027","Present",NA,NA
+"7884","1,4-Methanoindolo[1,2-b][1,2]benzisoxazol-11(1H)-one, 2,3,4,4a,11a,11b-hexahydro-11a-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Methanoindolo[1,2-b][1,2]benzisoxazol-11(1H)-one, 2,3,4,4a,11a,11b-hexahydro-11a-phenyl-",NA,"C1CC2CC1C3C2ON4C3(C(=O)C5=CC=CC=C54)C6=CC=CC=C6","CBCQKZVNIUOMEJ-UHFFFAOYSA-N",374519,NA,"PDBC07884","652270","Present",NA,NA
+"7885","1,4-Methanonaphthalene, 1,2,3,4-tetrachloro-1,4,4a,8a-tetrahydro-9,9-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8,9,10-Tetrachloro-11,11-dimethoxytricyclo[6.2.1.02,7]undeca-3,5,9-triene",NA,"COC1(C2(C3C=CC=CC3C1(C(=C2Cl)Cl)Cl)Cl)OC","OVHUTOPKMFWCLP-UHFFFAOYSA-N",370895,NA,"PDBC07885","644631","Present",NA,NA
+"7886","1,4-Methanonaphthalene, 1,2,3,4-tetrachloro-1,4,6,7-tetrahydro-9,9-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8,9,10-Tetrachloro-11,11-dimethoxytricyclo[6.2.1.02,7]undeca-2,6,9-triene",NA,"COC1(C2(C3=CCCC=C3C1(C(=C2Cl)Cl)Cl)Cl)OC","ICEZQUPYTITPJE-UHFFFAOYSA-N",370896,NA,"PDBC07886","644632","Present",NA,NA
+"7887","1,4-Methanonaphthalene-1(2H)-methanol, 2-(acetyloxy)-3,4-dihydro-, acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10-Acetyloxy-1-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl)methyl acetate",NA,"CC(=O)OCC12CC(CC1OC(=O)C)C3=CC=CC=C23","YSYHZIMNUXYFSP-UHFFFAOYSA-N",372428,NA,"PDBC07887","647542","Present",NA,NA
+"7888","1,4-Methanonaphthalene-1(4H)-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RCL T214817",NA,"C1C2C=CC1(C3=CC=CC=C23)C(=O)O","MDCSRCMVAGQWEU-UHFFFAOYSA-N",372426,NA,"PDBC07888","647540","Present",NA,NA
+"7889","1,4-Methanonaphthalene-1(4H)-methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Methanonaphthalene-1(4H)-methanol",NA,"C1C2C=CC1(C3=CC=CC=C23)CO","LQNXISFTMGITAS-UHFFFAOYSA-N",372427,NA,"PDBC07889","647541","Present",NA,NA
+"7890","1,4-Methanopentalene, 2-(2,4-dinitrophenoxy)-1,2,3,3a,4,6a-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666428///NSC666430",NA,"C1C2C=CC3C1C(CC23)OC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","PXIDSKRGSXBQGV-UHFFFAOYSA-N",380722,NA,"PDBC07890","666428///666430","Present",NA,NA
+"7891","1,4-Methanopentalene-2-carboxylic acid, octahydro-7-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxotricyclo[4.3.0.03,7]nonane-4-carboxylic acid",NA,"C1CC2C3C1C(C2=O)C(C3)C(=O)O","DJXDALFGIUAWMQ-UHFFFAOYSA-N",380716,NA,"PDBC07891","666423","Present",NA,NA
+"7892","1,4-Methanophenanthren-9-ol, 1,4-dihydro-10-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Methanophenanthren-9-ol, 1,4-dihydro-10-methoxy-",NA,"COC1=C(C2=CC=CC=C2C3=C1C4CC3C=C4)O","ISTNMYZRHAPWOD-UHFFFAOYSA-N",375112,NA,"PDBC07892","654235","Present",NA,NA
+"7893","1,4-Naphthalenedione, 2,2'-(1H-indole-2,3-diyl)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 2,2'-(1H-indole-2,3-diyl)bis-",NA,"C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3=C(NC4=CC=CC=C43)C5=CC(=O)C6=CC=CC=C6C5=O","BHGBQAOUNJGRMI-UHFFFAOYSA-N",362451,NA,"PDBC07893","626398","Present",NA,NA
+"7894","1,4-Naphthalenedione, 2-hydroxy-3-(3-(4-phenoxyphenyl)propyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-HYDROXY-3-[3-(P-PHENOXYPHENYL)PROPYL]-1,4-NAPHTHOQUINONE",NA,"C1=CC=C(C=C1)OC2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O","JVLITVTWAJLEKW-UHFFFAOYSA-N",219294,NA,"PDBC07894","377","Present",NA,NA
+"7895","1,4-Naphthalenedione, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 5,8-dihydroxy-2,3-bis(hydroxymethyl)-",NA,"C1=CC(=O)C2=C(C(=C(C(=C2C1=O)O)CO)CO)O","UKIJXKRMFLDSMY-UHFFFAOYSA-N",313371,NA,"PDBC07895","227279","Present",NA,NA
+"7896","1,4-Naphthalenedione, 5-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 5-methoxy-",NA,"COC1=CC=CC2=C1C(=O)C=CC2=O","DBDLTJRCKGCKSK-UHFFFAOYSA-N",123220,NA,"PDBC07896","618315","Present",NA,NA
+"7897","1,4-Naphthalenedione, 6,7-dichloro-5,8-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 6,7-dichloro-5,8-dimethoxy-",NA,"COC1=C(C(=C(C2=C1C(=O)C=CC2=O)OC)Cl)Cl","FCDAWNBJZQLHPH-UHFFFAOYSA-N",375894,NA,"PDBC07897","656207","Present",NA,NA
+"7898","1,4-Naphthoquinone, 2-chloro-3-furfurylamino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthoquinone, 2-chloro-3-furfurylamino-",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCC3=CC=CO3","HUQAZTJPZNRJDY-UHFFFAOYSA-N",239677,NA,"PDBC07898","45029","Present",NA,NA
+"7899","1,4-Oxazino[2,3-e]indazol-6(2H)-one, 3,4,6a,9,9a,9b-hexahydro-4-(2-hydroxyethyl)-9b-methoxy-6a,9-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxyethyl)-9b-methoxy-6a,9-dimethyl-2,3,9,9a-tetrahydropyrazolo[3,4-h][1,4]benzoxazin-6-one",NA,"CC1C2C(C(=O)C=C3C2(OCCN3CCO)OC)(N=N1)C","MRNKAUDSXQDBKD-UHFFFAOYSA-N",362832,NA,"PDBC07899","627202","Present",NA,NA
+"7900","1,4-Phenazinedicarboxylic acid, 7-methyl-, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Phenazinedicarboxylic acid, 7-methyl-, dimethyl ester",NA,"CC1=CC2=NC3=C(C=CC(=C3N=C2C=C1)C(=O)OC)C(=O)OC","ZDNKMDSEIJLOBG-UHFFFAOYSA-N",362269,NA,"PDBC07900","625880","Present",NA,NA
+"7901","1,4-Phenylenebis((4-hydroxyphenyl)methanone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Phenylenebis((4-hydroxyphenyl)methanone)",NA,"C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)O","ADUODNZKKNUWBZ-UHFFFAOYSA-N",331833,NA,"PDBC07901","326757","Present",NA,NA
+"7902","1,4-bis-[(3'-N-Morpholino)propylamino]anthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-bis-[(3'-N-Morpholino)propylamino]anthraquinone",NA,"C1COCCN1CCCNC2=C3C(=C(C=C2)NCCCN4CCOCC4)C(=O)C5=CC=CC=C5C3=O","LZQHTOSKYAEQBZ-UHFFFAOYSA-N",386271,NA,"PDBC07902","678028","Present",NA,NA
+"7903","1,4-bis[(2-Aminoethyl)amino]-5,8-dihydroxyanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-bis[(2-Aminoethyl)amino]-5,8-dihydroxyanthraquinone",NA,"C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCN","CLVFWRBVFBUDQU-UHFFFAOYSA-N",125982,NA,"PDBC07903","645017","Present",NA,NA
+"7904","1,4-di-N-oxide-2-acethyl-3-bromomethylquinoxalina",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-acethyl-3-bromomethylquinoxalina",NA,"CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CBr","JBGDLRVJRCXTDG-UHFFFAOYSA-N",404859,NA,"PDBC07904","721403","Present",NA,NA
+"7905","1,4-diaminoanthraquinone-2,3-dicarboximide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-diaminoanthraquinone-2,3-dicarboximide",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C4C(=C3N)C(=O)NC4=O)N","UOBRDAVIVQKFCM-UHFFFAOYSA-N",67192,NA,"PDBC07905","115447","Present",NA,NA
+"7906","1,4:5,8-Diepoxynaphthalene-4a(4H)-carboxylic acid, 1,5,8,8a-tetrahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 11,12-dioxatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-2-carboxylate",NA,"COC(=O)C12C3C=CC(C1C4C=CC2O4)O3","FZOLXPHPIQXHQV-UHFFFAOYSA-N",363379,NA,"PDBC07906","628261","Present",NA,NA
+"7907","1,4:5,8-Dimethanonaphthalene-2-propanenitrile, 3-cyano-1,2,3,4,4a,5,8,8a-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Cyanoethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carbonitrile",NA,"C1C2C=CC1C3C2C4CC3C(C4CCC#N)C#N","DDUMOHTYVYQIDE-UHFFFAOYSA-N",379821,NA,"PDBC07907","664949","Present",NA,NA
+"7908","1,4:5,8-Dimethanonaphthalene-4a,8a-dicarboxylic acid, octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetracyclo[6.2.1.13,6.02,7]dodecane-2,7-dicarboxylic acid",NA,"C1CC2CC1C3(C2(C4CCC3C4)C(=O)O)C(=O)O","LTDGPFKSIOHZDI-UHFFFAOYSA-N",370518,NA,"PDBC07908","643743","Present",NA,NA
+"7909","1,4:9,10-Dimethanoanthracene-9(4H)-carboxylic acid, 1,2,3,4-tetrachloro-1,4a,9a,10-tetrahydro-12,12-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5,6-Tetrachloro-16,16-dimethoxypentacyclo[6.6.1.13,6.02,7.09,14]hexadeca-4,9,11,13-tetraene-1-carboxylic acid",NA,"COC1(C2(C3C4CC(C3C1(C(=C2Cl)Cl)Cl)(C5=CC=CC=C45)C(=O)O)Cl)OC","CJILBBFZBHOSEH-UHFFFAOYSA-N",372429,NA,"PDBC07909","647543","Present",NA,NA
+"7910","1,4R,5R,8R,12R,13S)-1,5-Dimethyl-10-(trifluorometh yl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexade c-9-en-9-yl]-3-hexene-1,6-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-bis[(1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(trifluoro...",NA,"CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)C(CCCCC(C5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F)O)O","QBKSYZNQNHDRHO-SPJVOIJTSA-N",54612623,NA,"PDBC07910","725191","Present",NA,NA
+"7911","1,5'-Dioxo-1'-phenylspiro[furo[3,4-c]pyridine-3,3'-pyrazolidine]-4'-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5'-Dioxo-1'-phenylspiro[furo[3,4-c]pyridine-3,3'-pyrazolidine]-4'-carbonitrile",NA,"C1=CC=C(C=C1)N2C(=O)C(C3(N2)C4=C(C=CN=C4)C(=O)O3)C#N","TUXSEHKTMIZMDY-UHFFFAOYSA-N",389478,NA,"PDBC07911","685686","Present",NA,NA
+"7912","1,5,10,14,19,23,28,32-Octakis(trifluoromethylsulfonyl)-1,5,10,14,19,23,28,32-octazacyclohexatriacontane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,10,14,19,23,28,32-Octakis((trifluoromethyl)sulfonyl)-1,5,10,14,19,23,28,32-octaazacyclohexatriacontane",NA,"C1CCN(CCCN(CCCCN(CCCN(CCCCN(CCCN(CCCCN(CCCN(C1)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F","OPXSKAHGTRSZHT-UHFFFAOYSA-N",385580,NA,"PDBC07912","676873","Present",NA,NA
+"7913","1,5,10-Trihydroxy-10-allylanthracene-9(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,10-Trihydroxy-10-allylanthracene-9(10H)-one",NA,"C=CCC1(C2=C(C(=CC=C2)O)C(=O)C3=C1C(=CC=C3)O)O","SQDOVFPVYLNGRT-UHFFFAOYSA-N",400654,NA,"PDBC07913","712915","Present",NA,NA
+"7914","1,5,2,4-Dioxadithiecane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC372241",NA,"C1CCOS(=O)(=O)CS(=O)(=O)OCC1","VWRZUKFQNHZBOK-UHFFFAOYSA-N",340938,NA,"PDBC07914","372241","Present",NA,NA
+"7915","1,5,2,4-Dioxadithiepane, 3-methyl-, 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,2,4-Dioxadithiepane, 3-methyl-, 2,2,4,4-tetraoxide",NA,"CC1S(=O)(=O)OCCOS1(=O)=O","XPMXSCXQTAOMAE-UHFFFAOYSA-N",340936,NA,"PDBC07915","372239","Present",NA,NA
+"7916","1,5,2,4-Dioxadithiocane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,2,4-Dioxadithiocane, 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)CS(=O)(=O)OC1","APPZESCOGKWYIH-UHFFFAOYSA-N",150523,NA,"PDBC07916","348963","Present",NA,NA
+"7917","1,5,5-Trimethyl-2,6-dioxabicyclo[2.2.2]octan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,5-Trimethyl-2,6-dioxabicyclo[2.2.2]octan-3-one",NA,"CC1(C2CCC(O1)(OC2=O)C)C","STDACQJNAMJPHU-UHFFFAOYSA-N",392712,NA,"PDBC07917","693430","Present",NA,NA
+"7918","1,5,5-Trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,5-Trimethyl-2-phenylbicyclo[2.2.1]heptan-2-ol",NA,"CC1(CC2(CC1CC2(C3=CC=CC=C3)O)C)C","KQZKZBLFKVGKCX-UHFFFAOYSA-N",376009,NA,"PDBC07918","656389","Present",NA,NA
+"7919","1,5,5-Trimethylbicyclo[2.2.1]heptan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isofenchol",NA,"CC1(CC2(CC1CC2O)C)C","QNNGNRWQCQDOMF-UHFFFAOYSA-N",379930,NA,"PDBC07919","665122","Present",NA,NA
+"7920","1,5,5-Trimethylbicyclo[2.2.1]heptane-2-oneoxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656393",NA,"CC1(CC2(CC1CC2=NO)C)C","IDTJZQDNQDVVPG-FLIBITNWSA-N",5465598,NA,"PDBC07920","656393","Present",NA,NA
+"7921","1,5,6,10b-Tetrahydropyrrolo[1,2-c]quinazolin-3(2h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,6,10b-Tetrahydropyrrolo[1,2-c]quinazolin-3(2h)-one",NA,"C1CC(=O)N2C1C3=CC=CC=C3NC2","AGYFLZSVTXVMIZ-UHFFFAOYSA-N",389194,NA,"PDBC07921","684878","Present",NA,NA
+"7922","1,5,6,7,11-Pentamethyl-5-azahexacyclo[9.6.6.02,10.04,8.012,17.018,23]tricosa-4(8),6,12,14,16,18,20,22-octaene-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,6,7,11-Pentamethyl-5-azahexacyclo[9.6.6.02,10.04,8.012,17.018,23]tricosa-4(8),6,12,14,16,18,20,22-octaene-3,9-dione",NA,"CC1=C(N(C2=C1C(=O)C3C(C2=O)C4(C5=CC=CC=C5C3(C6=CC=CC=C64)C)C)C)C","QROHZXSMRYXGEJ-UHFFFAOYSA-N",393108,NA,"PDBC07922","694496","Present",NA,NA
+"7923","1,5,6,9-Pentaazadicylopent[a,b]indene-3,4(2H,5H)-dione,2,5-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,5,6,9-Pentaazadicylopent[a,b]indene-3,4(2H,5H)-dione...",NA,"C1=CC=C(C=C1)N2C(=O)C34C(=N2)C5=C(C3=NN(C4=O)C6=CC=CC=C6)C=NC=C5","KLNSLIOAJTXPNY-UHFFFAOYSA-N",389479,NA,"PDBC07923","685687","Present",NA,NA
+"7924","1,5,6-Trimethyl-7-(2-phenylethyl)-1,7-dihydropyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile 4,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,6-Trimethyl-4,4-dioxo-7-phenethyl-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,"CC1=C(N(C2=C1S(=O)(=O)C(=NN2C)C#N)CCC3=CC=CC=C3)C","VFCHZXHXTNVJKS-UHFFFAOYSA-N",394920,NA,"PDBC07924","699020","Present",NA,NA
+"7925","1,5,8,12-Tetramethyl-15,16-dioxo-15lambda4,16lambda4-dithiapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,8,12-Tetramethyl-15,16-dioxo-15lambda4,16lambda4-dithiapentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene-3,10-dione",NA,"CC12C=CC(S1=O)(C3C2C(=O)C4C(C3=O)C5(C=CC4(S5=O)C)C)C","JPCINLVTSUBWQA-UHFFFAOYSA-N",394218,NA,"PDBC07925","697505","Present",NA,NA
+"7926","1,5,9,13,17,21,25,29-Octathiacyclodotriacontane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,9,13,17,21,25,29-Octathiacyclodotriacontane",NA,"C1CSCCCSCCCSCCCSCCCSCCCSCCCSCCCSC1","PJRFYBCTXBQSTP-UHFFFAOYSA-N",373844,NA,"PDBC07926","650807","Present",NA,NA
+"7927","1,5,9,13,17-Pentathiacycloeicosane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,9,13,17-Pentathiacycloeicosane",NA,"C1CSCCCSCCCSCCCSCCCSC1","IHZRZROGHCHTMN-UHFFFAOYSA-N",373845,NA,"PDBC07927","650808","Present",NA,NA
+"7928","1,5,9,13-Tetramethyl-1,5,9,13-tetrazacyclohexadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,9,13-Tetramethyl-1,5,9,13-tetraazacyclohexadecane",NA,"CN1CCCN(CCCN(CCCN(CCC1)C)C)C","WWONSCWAHMKWLB-UHFFFAOYSA-N",388773,NA,"PDBC07928","683850","Present",NA,NA
+"7929","1,5,9,14,18,22-Hexakis(trifluoromethylsulfonyl)-1,5,9,14,18,22-hexazacyclohexacosane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,9,14,18,22-Hexakis(trifluoromethylsulfonyl)-1,5,9,14,18,22-hexazacyclohexacosane",NA,"C1CCN(CCCN(CCCN(CCCCN(CCCN(CCCN(C1)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F","HSZBXSDPYDDSLR-UHFFFAOYSA-N",385579,NA,"PDBC07929","676872","Present",NA,NA
+"7930","1,5,9-Triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),4,6,9,11,13,15-heptaen-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[4',3':4,5]pyrimido[2,1-a]isoindol-10(12H)-one",NA,"C1C2=C(C=CN=C2)N=C3N1C(=O)C4=CC=CC=C43","KIFUBCRGDIHAKS-UHFFFAOYSA-N",377702,NA,"PDBC07930","659293","Present",NA,NA
+"7931","1,5,9-Trinitrobishomopentaprismane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trinitro[?]",NA,"C1C2C3C4C1C5(C2(C6C3C4(C5C6)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","RXCMFTUHBJCCIY-UHFFFAOYSA-N",364427,NA,"PDBC07931","630687","Present",NA,NA
+"7932","1,5-Bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)anthra-9,10-quinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Bis(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)anthra-9,10-quinone",NA,"COCCOCCOCCOC1=CC=CC2=C1C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCOC","XSSSVSGXGLTANV-UHFFFAOYSA-N",362910,NA,"PDBC07932","627385","Present",NA,NA
+"7933","1,5-Bis(2-hydroxy-5-methylphenyl)pentane-1,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Bis(2-hydroxy-5-methylphenyl)pentane-1,5-dione",NA,"CC1=CC(=C(C=C1)O)C(=O)CCCC(=O)C2=C(C=CC(=C2)C)O","QWHXJUHCUIGLPY-UHFFFAOYSA-N",373754,NA,"PDBC07933","650708","Present",NA,NA
+"7934","1,5-Bis(3-nitrophenyl)penta-1,4-dien-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AI3-08904",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]","ZPQURSDVJWZXLQ-FKJILZIQSA-N",6436750,NA,"PDBC07934","3799","Present",NA,NA
+"7935","1,5-Bis(4-amidinophenoxy)-3-(4-toluenesulphonyl)-3-aza-pentane dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-bis(4-amidinophenoxy)-3-(4-toluenesulphonyl)-3-aza-p...",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CCOC2=CC=C(C=C2)C(=NCl)N)CCOC3=CC=C(C=C3)C(=NCl)N","BONDLDMYIKKQGK-UHFFFAOYSA-N",45028721,NA,"PDBC07935","743909","Present",NA,NA
+"7936","1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo(4,5-b)phenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Bis(4-chlorophenyl)-2,5-dihydro-2,2-dimethyl-1H-imidazo[4,5-B]phenazine",NA,"CC1(N=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2N1C6=CC=C(C=C6)Cl)C","HFSRYMCNSIJDJB-UHFFFAOYSA-N",354039,NA,"PDBC07936","603989","Present",NA,NA
+"7937","1,5-Bis(4-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1H-1,2,3-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Bis(4-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1H-1,2,3-triazole",NA,"C1CN=C(N1)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","XBOZNYDKSZIIMV-UHFFFAOYSA-N",371080,NA,"PDBC07937","645026","Present",NA,NA
+"7938","1,5-Bis(4-dimethylaminophenyl)-8,10-diazaspiro[5.5]undecane-3,7,9,11-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Bis(4-dimethylaminophenyl)-8,10-diazaspiro[5.5]undecane-3,7,9,11-tetrone",NA,"CN(C)C1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)N(C)C","XUWJVHFJAFWVCG-UHFFFAOYSA-N",394684,NA,"PDBC07938","698287","Present",NA,NA
+"7939","1,5-Bis(4-methoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-bis(4-methoxyphenyl)-1H-imidazole",NA,"COC1=CC=C(C=C1)C2=CN=CN2C3=CC=C(C=C3)OC","VWJKTSXAGACLQW-UHFFFAOYSA-N",11265974,NA,"PDBC07939","734603","Present",NA,NA
+"7940","1,5-Bis(chloromethyl)naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene, 1,5-bis(chloromethyl)-",NA,"C1=CC(=C2C=CC=C(C2=C1)CCl)CCl","HJTAZXHBEBIQQX-UHFFFAOYSA-N",74424,NA,"PDBC07940","83233","Present",NA,NA
+"7941","1,5-Bis(o-allyloxyphenyl)-3-cyanoformazane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Bis(o-allyloxyphenyl)-3-cyanoformazane",NA,"C=CCOC1=CC=CC=C1NN=C(C#N)N=NC2=CC=CC=C2OCC=C","JLABBJVNZOOAQG-ZGKJGHDSSA-N",5466113,NA,"PDBC07941","676450","Present",NA,NA
+"7942","1,5-Bis-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-6-methoxy-1H-benzoimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-bis-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-6-me...",NA,"COC1=CC2=C(C=C1CC3=C(C=CC=C3F)F)N=C(N2CC4=C(C=CC=C4F)F)C5=C(C=CC=C5F)F","DLUPFJWQGVJYND-UHFFFAOYSA-N",404169,NA,"PDBC07942","720321","Present",NA,NA
+"7943","1,5-Bis-(2-chloro-6-fluoro-benzyl)-2-(2-chloro-6-fluoro-phenyl)-6-methoxy-1H-benzoimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-bis-(2-chloro-6-fluorobenzyl)-2-(2-chloro-6-fluoro-p...",NA,"COC1=CC2=C(C=C1CC3=C(C=CC=C3Cl)F)N=C(N2CC4=C(C=CC=C4Cl)F)C5=C(C=CC=C5Cl)F","WSUDGTASDDXFHU-UHFFFAOYSA-N",404170,NA,"PDBC07943","720322","Present",NA,NA
+"7944","1,5-Bis[(E)-2-(3,4-dichlorophenyl)ethenyl]-2,4-dinitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Bis[(E)-2-(3,4-dichlorophenyl)vinyl]-2,4-dinitro-benzene",NA,"C1=CC(=C(C=C1C=CC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=CC3=CC(=C(C=C3)Cl)Cl)Cl)Cl","YYZPXBXVBQSBDG-IJIVKGSJSA-N",6288112,NA,"PDBC07944","636819","Present",NA,NA
+"7945","1,5-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,5-pentanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N,N'-[1,5-dioxo-1,5-pentanediyldi[1-(chlorome...",NA,"CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O","WBNASTOCKPVIEC-UHFFFAOYSA-N",400399,NA,"PDBC07945","711945","Present",NA,NA
+"7946","1,5-Bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Anthracenedione, 1,5-bis[[3-[(2-hydroxyethyl)amino]...",NA,"C1=CC2=C(C(=C1)NCCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCCNCCO","ZDFMCUHFIYMYTO-UHFFFAOYSA-N",335352,NA,"PDBC07946","344003","Present",NA,NA
+"7947","1,5-Bis[3-(2-hydroxyethylamino)propylamino]anthracene-9,10-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthracene-9,10-dione, 1,5-bis[3-[[(2-hydroxyethyl)amino...",NA,"C1=CC2=C(C(=C1)NCCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCCNCCO.Cl","UKYDSDKVMRDDSN-UHFFFAOYSA-N",5351330,NA,"PDBC07947","363998","Present",NA,NA
+"7948","1,5-Bis[4-(N-butylamidino)phenoxy]-3-tiapentane dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-bis[4-(N-butylamidino)phenoxy]-3-tiapentane dihydroc...",NA,"CCCCN=C(C1=CC=C(C=C1)OCCSCCOC2=CC=C(C=C2)C(=NCCCC)N)N.Cl","WBDRXGMNLULVFR-UHFFFAOYSA-N",54613223,NA,"PDBC07948","750501","Present",NA,NA
+"7949","1,5-Bis[[3-(diethylaminomethyl)-4-hydroxyphenyl]diazenyl]naphthalene-2,6-diol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Bis[[3-(diethylaminomethyl)-4-hydroxyphenyl]diazenyl]naphthalene-2,6-diol;hydrochloride",NA,"CCN(CC)CC1=C(C=CC(=C1)N=NC2=C(C=CC3=C2C=CC(=C3N=NC4=CC(=C(C=C4)O)CN(CC)CC)O)O)O.Cl","VHSOHIAMEYXOOK-UHFFFAOYSA-N",135488941,NA,"PDBC07949","359463","Present",NA,NA
+"7950","1,5-Diaminoanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"c.i. disperse red ii",NA,"C1=CC2=C(C(=C1)N)C(=O)C3=C(C2=O)C(=CC=C3)N","VWBVCOPVKXNMMZ-UHFFFAOYSA-N",8513,NA,"PDBC07950","7213","Present",NA,NA
+"7951","1,5-Dihydro-1H-imidazol-2-yl)phenyl]piperazine, dihydrochloride salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]piperazin...",NA,"C1CN=C(N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C5=NCCN5.Cl","WUWIHPJXJSXSNX-UHFFFAOYSA-N",24203245,NA,"PDBC07951","727339","Present",NA,NA
+"7952","1,5-Dihydro-2,3,4-benzotrithiepin-2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JZSROASPVXWQLK-UHFFFAOYSA-N",NA,"C1C2=CC=CC=C2CS(=O)SS1","JZSROASPVXWQLK-UHFFFAOYSA-N",361198,NA,"PDBC07952","624162","Present",NA,NA
+"7953","1,5-Dihydro-5-oxo-3-mercapto-7-(2,4-dichlorophenyl)-1,2,4-triazolo[4,3-a]pyrimidine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dihydro-5-oxo-3-mercapto-7-(2,4-dichlorophenyl)-1,2,4-triazolo[4,3-a]pyrimidine-6-carbonitrile",NA,"C1=CC(=C(C=C1Cl)Cl)C2=C(C(=O)N3C(=N2)NNC3=S)C#N","RQTZOLKISVLEHZ-UHFFFAOYSA-N",3005404,NA,"PDBC07953","697891","Present",NA,NA
+"7954","1,5-Dihydro-[1,2,5]oxadiazino[4,3-c][1,2,5]oxadiazine-3,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dihydro-[1,2,5]oxadiazino[4,3-c][1,2,5]oxadiazine-3,7-dione",NA,"C12=NOC(=O)N=C1NOC(=O)N2","NCZFFQILBOPIAQ-UHFFFAOYSA-N",389839,NA,"PDBC07954","686471","Present",NA,NA
+"7955","1,5-Dihydroxy-1,5-dipyridin-3-ylpentan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dihydroxy-1,5-di(pyridin-3-yl)pentan-3-one",NA,"C1=CC(=CN=C1)C(CC(=O)CC(C2=CN=CC=C2)O)O","OEGFNYOBXKSOKJ-UHFFFAOYSA-N",356571,NA,"PDBC07955","612955","Present",NA,NA
+"7956","1,5-Dihydroxyanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthrarufin",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O","JPICKYUTICNNNJ-UHFFFAOYSA-N",8328,NA,"PDBC07956","7211","Present",NA,NA
+"7957","1,5-Dimethyl-2-[(E)-1-methyl-2-phenyl-vinyl]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dimethyl-2-[(E)-1-methyl-2-phenyl-vinyl]pyrazol-3-one",NA,"CC1=CC(=O)N(N1C)C(=CC2=CC=CC=C2)C","XLJINAIHKBMISS-FMIVXFBMSA-N",5469829,NA,"PDBC07957","693124","Present",NA,NA
+"7958","1,5-Dimethyl-2-phenyl-4-(2-phenyl-1,3-oxazol-4-yl)-1,2-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dimethyl-2-phenyl-4-(2-phenyl-1,3-oxazol-4-yl)-1,2-dihydro-3H-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=COC(=N3)C4=CC=CC=C4","MCRZLKNJYLNDPX-UHFFFAOYSA-N",373864,NA,"PDBC07958","650827","Present",NA,NA
+"7959","1,5-Dimethyl-2-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dimethyl-2-phenyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2-dihydro-3H-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=CC=C4","RYRSILNKRKLDCH-UHFFFAOYSA-N",374211,NA,"PDBC07959","651701","Present",NA,NA
+"7960","1,5-Dimethyl-4-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dimethyl-4-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC=CC4=CC=CC=C4)C3=O)C5=CC=CC=C5","ADKYODIILVOQSX-DWPPTZFRSA-N",5472422,NA,"PDBC07960","718657","Present",NA,NA
+"7961","1,5-Dimethyl-4-[2-(4-nitrophenyl)oxazol-4-yl]-2-phenyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dimethyl-4-[2-(4-nitrophenyl)-1,3-oxazol-4-yl]-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=COC(=N3)C4=CC=C(C=C4)[N+](=O)[O-]","WCRZHXZHTYGTPT-UHFFFAOYSA-N",373866,NA,"PDBC07961","650829","Present",NA,NA
+"7962","1,5-Dimethyl-4-[2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2-phenyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dimethyl-4-[2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2-phenyl-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]","ZMLCCAFPWXODOB-UHFFFAOYSA-N",373868,NA,"PDBC07962","650831","Present",NA,NA
+"7963","1,5-Dimethylpyridin-1-ium-3-carbonitrile;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dimethylpyridin-1-ium-3-carbonitrile;iodide",NA,"CC1=CC(=C[N+](=C1)C)C#N.[I-]","ARCGBUGZHBZOMK-UHFFFAOYSA-M",353331,NA,"PDBC07963","601307","Present",NA,NA
+"7964","1,5-Diol, 1,1-dioxide, trans-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Dithiane-4,5-diol, 1,1-dioxide, trans-",NA,"C1C(C(CS(=O)(=O)S1)O)O","HEDDKNPLYXIIDO-SYPWQXSBSA-N",361190,NA,"PDBC07964","624152","Present",NA,NA
+"7965","1,5-Dioxo-5H-pyrrolo[1,2-a][3,1]benzoxazin-3a(1H)-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dioxo-5H-pyrrolo[1,2-a][3,1]benzoxazin-3a(1H)-yl acetate",NA,"CC(=O)OC12C=CC(=O)N1C3=CC=CC=C3C(=O)O2","PEBATMLUABVPGO-UHFFFAOYSA-N",363568,NA,"PDBC07965","628540","Present",NA,NA
+"7966","1,5-Diphenoxyanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-diphenoxyanthraquinone",NA,"C1=CC=C(C=C1)OC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)OC5=CC=CC=C5","GSNYYYXHQZHEFP-UHFFFAOYSA-N",6699,NA,"PDBC07966","37627","Present",NA,NA
+"7967","1,5-Ditert-butyl-2,3-dihydroxy-4-sulfosulfanylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Ditert-butyl-2,3-dihydroxy-4-sulfosulfanyl-benzene",NA,"CC(C)(C)C1=CC(=C(C(=C1O)O)SS(=O)(=O)O)C(C)(C)C","UJTHISUTLHLMDB-UHFFFAOYSA-N",398518,NA,"PDBC07967","708429","Present",NA,NA
+"7968","1,5-Dithiaspiro[5.11]heptadec-7-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dithiaspiro[5.11]heptadec-7-ylmethanol",NA,"C1CCCCCC2(C(CCCC1)CO)SCCCS2","RGADCAJAGVIHLP-UHFFFAOYSA-N",382564,NA,"PDBC07968","670172","Present",NA,NA
+"7969","1,5-Dithiaspiro[5.11]heptadec-7-ylmethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dithiaspiro[5.11]heptadec-7-ylmethyl methanesulfonate",NA,"CS(=O)(=O)OCC1CCCCCCCCCCC12SCCCS2","DXACRGBTIMELMI-UHFFFAOYSA-N",380709,NA,"PDBC07969","666415","Present",NA,NA
+"7970","1,5-Dithiaspiro[5.5]undecan-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dithiaspiro[5.5]undecan-9-one",NA,"C1CSC2(CCC(=O)CC2)SC1","XOGUYODJSCEVLO-UHFFFAOYSA-N",370343,NA,"PDBC07970","643344","Present",NA,NA
+"7971","1,5-Diyl)dioxy]bis(11as)-2-fluoro-7-methoxy-1,2,3,11a-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1, 1'[Pentane-1,5-diyl)dioxy]bis(11as)-2-fluoro-7-methox...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)F)OCCCCCOC4=C(C=C5C(=C4)N=CC6CC(CN6C5=O)F)OC","SNIOWECMHONVCJ-JSRAGOMMSA-N",24203387,NA,"PDBC07971","727729","Present",NA,NA
+"7972","1,5-Ethano-2H-1,5-benzodiazepin-3(4H)-one, (2,4-dinitrophenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Ethano-2H-1,5-benzodiazepin-3(4H)-one, (2,4-dinitrophenyl)hydrazone",NA,"C1CN2CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CN1C4=CC=CC=C42","WOOWYQDBGKSNNC-UHFFFAOYSA-N",377511,NA,"PDBC07972","658997","Present",NA,NA
+"7973","1,5-Triazin-4-one, 4,5-dihydro-2-amino-5-beta-D-arabinofuranosyl-, 5'-monophosphate ester, monolithium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Triazin-4-one, 4,5-dihydro-2-amino- 5-.beta.-D-ara...",NA,"[Li+].C1=NC(=NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N","MWNCUVYOGYVKEO-UHFFFAOYSA-N",54608722,NA,"PDBC07973","619378","Present",NA,NA
+"7974","1,5-Tribornyl-2H,4H,6H-triazin-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Tribornyl-2H,4H,6H-triazin-2,4,6-trione",NA,"CC1(C2CCC1(C(C2)N3C(=O)N(C(=O)N(C3=O)C4CC5CCC4(C5(C)C)C)C6CC7CCC6(C7(C)C)C)C)C","DQBWHZPWGKCZNX-DGRTZWDVSA-N",400863,NA,"PDBC07974","713537","Present",NA,NA
+"7975","1,5-a]Indolium trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Dimethyl-4-(4-dimethylaminobenzyliden)-4H-pyrazolo[1...",NA,"CC1=CC2=C(C=C1)C(=CC3=CC=C(C=C3)N(C)C)C4=CC(=[N+](N42)C)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","FCBDAWQXMGEGFO-UHFFFAOYSA-M",24202845,NA,"PDBC07975","726087","Present",NA,NA
+"7976","1,5-bis(4-amidinophenoxy)-3-oxapentane dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-bis(4-amidinophenoxy)-3-oxapentane dihydrochloride",NA,"C1=CC(=CC=C1C(=N)N)OCCOCCOC2=CC=C(C=C2)C(=N)N.Cl","UFNJMEIGXONYEV-UHFFFAOYSA-N",24205052,NA,"PDBC07976","734102","Present",NA,NA
+"7977","1,5-c]Pyrrole-5-carboxylic acid, tetrahydro-2,2-dimethyl-4-[[4-(1,1-dimethylethoxy)-2-[(2-propenoxy)carbonyl]-1-pyrrolidinyl]carbonyl]-,[(9H-fluoren-9-yl)methyl] ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-c]pyrrole-5-carboxylic acid, tetrahydro-...",NA,"CC1(OC2CN(C(C2O1)C(=O)N3CC(CC3C(=O)OCC=C)OC(C)(C)C)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C","CZCKXAZMAHKTKM-JNYCSLRCSA-N",400903,NA,"PDBC07977","713587","Present",NA,NA
+"7978","1,5-cis-Verknupften",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Cis-verknupften (German)",NA,"CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-SJXGUFTOSA-N",378378,NA,"PDBC07978","660677","Present",NA,NA
+"7979","1,5-g]Quinolin-8(5H)-thione, 6-[3-(dimethylamino)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8(5H)-thione, 6-[3-(dimethyla...",NA,"CN(C)C1=CC=CC(=C1)C2=CC(=S)C3=CC4=C(C=C3N2)OCO4","JLLTZPCYQCHFNV-UHFFFAOYSA-N",5168079,NA,"PDBC07979","700270","Present",NA,NA
+"7980","1,5-g]Quinolin-8-amine, N-1,3-benzodioxol-5-yl-6-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8-amine, N-1,3-benzodioxol-5-...",NA,"CC1=CC(=C2C=C3C(=CC2=N1)OCO3)NC4=CC5=C(C=C4)OCO5","LCBPJTNEHPZLSA-UHFFFAOYSA-N",332900,NA,"PDBC07980","332421","Present",NA,NA
+"7981","1,5-g]Quinoline-5-carboxylic acid, 6-(2-fluorophenyl)-5,8-dihydro-8-oxo-, 1,1-dimethylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinoline-5-carboxylic acid, 6-(2-fluo...",NA,"CC(C)(C)OC(=O)N1C2=CC3=C(C=C2C(=O)C=C1C4=CC=CC=C4F)OCO3","UJPVNVLPJKZMFZ-UHFFFAOYSA-N",396059,NA,"PDBC07981","701389","Present",NA,NA
+"7982","1,6,11,16-Tetraoxadispiro[6.2.6^{10}.2^{7}]octadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6,11,16-Tetraoxadispiro[6.2.6^{10}.2^{7}]octadecane",NA,"C1CCOC2(CCC3(CC2)OCCCCO3)OC1","JBDQISKGZOIXSP-UHFFFAOYSA-N",362204,NA,"PDBC07982","625803","Present",NA,NA
+"7983","1,6,11,16-Tetrathiacycloicosane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6,11,16-Tetrathiacycloicosane",NA,"C1CCSCCCCSCCCCSCCCCSC1","ORSVEXHROYPMJO-UHFFFAOYSA-N",373839,NA,"PDBC07983","650802","Present",NA,NA
+"7984","1,6,6-Trimethylcyclohex-1-en-1-yl)-1(E)-heptadiene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-bis-(2,6,6-trimethylcyclohex-1-en-1-yl)-1(E)-heptadi...",NA,"CC1=C(C(CCC1)(C)C)C=CC(=O)CC(=O)C=CC2=C(CCCC2(C)C)C","MHTFRRWVRDWQPA-PHEQNACWSA-N",45028209,NA,"PDBC07984","741745","Present",NA,NA
+"7985","1,6,7,10-Tetrakis(bromomethyl)fluoranthene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6,7,10-Tetrakis(bromomethyl)fluoranthene",NA,"C1=CC(=C2C3=C1C=CC(=C3C4=C(C=CC(=C24)CBr)CBr)CBr)CBr","PVKVEHGRZZEVOC-UHFFFAOYSA-N",393211,NA,"PDBC07985","694699","Present",NA,NA
+"7986","1,6,8,12-Tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethyl-14-oxa-3-dioxothia-tetracyclo[9.2.1.0.0]tet...",NA,"CC12C=CC(O1)(C3C2C4=CC=CC=C4S3(=O)=O)C","XZRBGZRKIRQECA-UHFFFAOYSA-N",45028036,NA,"PDBC07986","740814","Present",NA,NA
+"7987","1,6-Bis(1-propylcyclohexyl)-1H-indolo[5,4,3-def]isoquinoline-2,5,7(6H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,12-Bis(1-propylcyclohexyl)-6,12-diazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaene-5,7,13-trione",NA,"CCCC1(CCCCC1)N2C3=CC=C4C5=C(C=CC(=C35)C2=O)C(=O)N(C4=O)C6(CCCCC6)CCC","BVQOZWYZJKCBLA-UHFFFAOYSA-N",392637,NA,"PDBC07987","693217","Present",NA,NA
+"7988","1,6-Bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)hexane-1,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)hexane-1,6-dione",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)CCCCC(=O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=CC=C6O)C=CC=C3O","PQGZSMNCTYYXMQ-UHFFFAOYSA-N",369405,NA,"PDBC07988","641175","Present",NA,NA
+"7989","1,6-Bis(dimethylamino)-3,4-diphenyl-hexane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Bis(dimethylamino)-3,4-diphenyl-hexane-3,4-diol",NA,"CN(C)CCC(C1=CC=CC=C1)(C(CCN(C)C)(C2=CC=CC=C2)O)O","HYNGDQGXSYCJPT-UHFFFAOYSA-N",371218,NA,"PDBC07989","645267","Present",NA,NA
+"7990","1,6-Bis-(2,6-difluoro-benzyl)-2-(2,6-difluoro-phenyl)-5-methoxy-1H-benzoimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-bis-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-5-me...",NA,"COC1=CC2=C(C=C1CC3=C(C=CC=C3F)F)N(C(=N2)C4=C(C=CC=C4F)F)CC5=C(C=CC=C5F)F","AUCNWWZUMUMPNC-UHFFFAOYSA-N",404168,NA,"PDBC07990","720320","Present",NA,NA
+"7991","1,6-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,6-hexanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[6-[7-Acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexanoyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-7-yl]acetamide",NA,"CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O","RXTOYKYVEKOFCF-UHFFFAOYSA-N",400400,NA,"PDBC07991","711946","Present",NA,NA
+"7992","1,6-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]diamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]diamantane",NA,"C1C2CC3C4CC5CC(C1C3(C5)C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O)C4(C2)C8=CC=C(C=C8)OC9=CC(=C(C=C9)N)O","BSMHNENFPARJJF-UHFFFAOYSA-N",397906,NA,"PDBC07992","706831","Present",NA,NA
+"7993","1,6-Bis[4-(4-aminophenoxy)phenyl]diamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Bis[4-(4-aminophenoxy)phenyl]diamantane",NA,"C1C2CC3C4CC5CC(C1C3(C5)C6=CC=C(C=C6)OC7=CC=C(C=C7)N)C4(C2)C8=CC=C(C=C8)OC9=CC=C(C=C9)N","ICZJKWFNSLWHTA-UHFFFAOYSA-N",397904,NA,"PDBC07993","706829","Present",NA,NA
+"7994","1,6-Cyclodecanedione dioxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Cyclodecanedione dioxime",NA,"C1CCC(=NO)CCCCC(=NO)C1","FAAQAPSKAZPOPL-UHFFFAOYSA-N",391644,NA,"PDBC07994","691130","Present",NA,NA
+"7995","1,6-Diallyl-3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Diallyl-3a,6a-dimethyltetrahydro-2,5(1H,3H)-pentalenedione",NA,"CC12CC(=O)C(C1(C(C(=O)C2)CC=C)C)CC=C","RJZMMPOEPPYYEM-UHFFFAOYSA-N",363105,NA,"PDBC07995","627675","Present",NA,NA
+"7996","1,6-Diaminodiamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Diaminodiamantane",NA,"C1C2CC3C4CC5CC(C1C3(C5)N)C4(C2)N","WMBTVDOFORJFEB-UHFFFAOYSA-N",397911,NA,"PDBC07996","706836","Present",NA,NA
+"7997","1,6-Dianhydro-5-O-(2,2-dimethyl propanoyl)-D-glucitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4:3,6-dianhydro-5-O-(2,2-dimethyl propanoyl)- D-glucitol",NA,"CC(C)(C)C(=O)OC1COC2C1OCC2O","CHIWEWKYIIQJRZ-LDIRUYLGSA-N",365588,NA,"PDBC07997","633387","Present",NA,NA
+"7998","1,6-Dichloro-N-(2-chloroethyl)-2-hexanamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hexanamine, 1,6-dichloro-N-(2-chloroethyl)-, hydrochlo...",NA,"C(CCCl)CC(CCl)NCCCl.Cl","DXCXJLVTBSMKBG-UHFFFAOYSA-N",152523,NA,"PDBC07998","9713","Present",NA,NA
+"7999","1,6-Dichlorobenzoyl)-3-(3-hydroxy-2-naphthyl)-4-ethyl-5H-1,2,4-triazoline-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydro-1-(2,6-dichlorobenzoyl)-3-(3-hydroxy-2-napht...",NA,"CCN1C(=NN(C1=S)C(=O)C2=C(C=CC=C2Cl)Cl)C3=CC4=CC=CC=C4C=C3O","YVQZVMQDDVXLOH-UHFFFAOYSA-N",135545200,NA,"PDBC07999","729057","Present",NA,NA
+"8000","1,6-Dihydro-11H-indazolo[6,7-b][1,8]naphthyridin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Dihydro-11H-indazolo[6,7-b][1,8]naphthyridin-11-one",NA,"C1=CC2=C(N=C1)N=C3C=CC4=CNNC4=C3C2=O","DJRPSVDNUTXMHY-UHFFFAOYSA-N",378710,NA,"PDBC08000","661815","Present",NA,NA
+"8001","1,6-Dihydro]methyl piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di[2-amino-4(2-hydroxy-5-chlorophenyl)-6-phenyl-5,6-...",NA,"C1CN(CCN1CN=C2NC(CC(=N2)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4)CN=C5NC(CC(=N5)C6=C(C=CC(=C6)Cl)O)C7=CC=CC=C7","UZOMFRBVMGNAOS-UHFFFAOYSA-N",135426719,NA,"PDBC08001","711120","Present",NA,NA
+"8002","1,6-Dihydrotriazolo[4,5-f]quinolin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Dihydrotriazolo[4,5-f]quinolin-9-one",NA,"C1=CC2=NNNC2=C3C1=NC=CC3=O","GPZNSCCICORVMI-UHFFFAOYSA-N",438284,NA,"PDBC08002","630727","Present",NA,NA
+"8003","1,6-Dihydroxy-1,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydroindeno[4,5-g]isobenzofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Dihydroxy-1,5a-dimethyl-3b,4,5,6,7,8,8a,8b,9,10-decahydroindeno[4,5-g]isobenzofuran-3-one",NA,"CC12CCC3C(C1CCC2O)CCC4=C3C(=O)OC4(C)O","VPLCSAFVXNMYMZ-UHFFFAOYSA-N",386104,NA,"PDBC08003","677736","Present",NA,NA
+"8004","1,6-Dimethyl-2,3-dibromo[1]benzopyrano[2,3-b]pyrrol-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dibromo-1,6-dimethyl-chromeno[2,3-b]pyrrol-4-one",NA,"CC1=CC2=C(C=C1)OC3=C(C2=O)C(=C(N3C)Br)Br","VKKMFHCERMRURA-UHFFFAOYSA-N",398025,NA,"PDBC08004","707098","Present",NA,NA
+"8005","1,6-Dimethyl-2-phenyl-4,7-dioxo-4,7-dihydro-1H-indole-3-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,6-dimethyl-4,7-dioxo-2-phenyl-4,7-dihydro-1h-indole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C1C(=O)C=C(C2=O)C)C)C3=CC=CC=C3","SOZLPEQZIFICGF-UHFFFAOYSA-N",403520,NA,"PDBC08005","718530","Present",NA,NA
+"8006","1,6-Dimethyl-7-(phenylthio)bicyclo[4.1.0]heptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Dimethyl-7-(phenylthio)bicyclo[4.1.0]heptane",NA,"CC12CCCCC1(C2SC3=CC=CC=C3)C","WJEVWMKMCDDIPG-UHFFFAOYSA-N",361794,NA,"PDBC08006","625066","Present",NA,NA
+"8007","1,6-Dimethyl-8H-pteridine-2,4,7-trione; pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Dimethyl-8H-pteridine-2,4,7-trione; pyridine",NA,"CC1=NC2=C(NC1=O)N(C(=O)NC2=O)C.C1=CC=NC=C1","QAFAXHHFZBQHIK-UHFFFAOYSA-N",373960,NA,"PDBC08007","650992","Present",NA,NA
+"8008","1,6-Dimethyl-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Dimethyl-phenothiazone",NA,"CC1=C2C(=CC=C1)N=C3C(=CC(=O)C=C3S2)C","LWCNALZIZXCTFM-UHFFFAOYSA-N",369388,NA,"PDBC08008","641152","Present",NA,NA
+"8009","1,6-Dimethylpyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidine-4(1H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Dimethylpyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidine-4(1H)-thione",NA,"CC1=CSC2=NC3=C(C=NN3C)C(=S)N12","ZQUUVSRWNBLTCP-UHFFFAOYSA-N",382393,NA,"PDBC08009","669951","Present",NA,NA
+"8010","1,6-Dimetoxyphenoxy]-3-oxapentane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-bis[4-cyano-2,6-dimetoxyphenoxy]-3-oxapentane",NA,"COC1=CC(=CC(=C1OCCOCCOC2=C(C=C(C=C2OC)C#N)OC)OC)C#N","QXBMPVBLQGJKNG-UHFFFAOYSA-N",24206089,NA,"PDBC08010","740026","Present",NA,NA
+"8011","1,6-Heptadien-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-bis(4-(adamantylaminopropionyloxy)-3-methoxyphenyl)-...",NA,"COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CCNC34CC5CC(C3)CC(C5)C4)OC)OC(=O)CCNC67CC8CC(C6)CC(C8)C7","KBUQBEMVFXNYAX-FCXRPNKRSA-N",45028274,NA,"PDBC08011","742028","Present",NA,NA
+"8012","1,6-Hexanediamine, N1,N6-bis(7-dimethylamino-2-methyl-4-quinolinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Quinolinediamine, N(4),N(4')-1,6-hexanediylbis(N(7),...",NA,"CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N(C)C","WIPLXGQXVUIAAM-UHFFFAOYSA-N",329576,NA,"PDBC08012","313157","Present",NA,NA
+"8013","1,6-Tribromo-2,7-dichloro-3-(chloromethyl)-7-methyl-1-octane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6-tribromo-2,7-dichloro-3-(chloromethyl)-7-methyl-1-...",NA,"CC(C)(C(CCC(CCl)(C(CBr)Cl)Br)Br)Cl","WABYMNUXOPLVSB-UHFFFAOYSA-N",379050,NA,"PDBC08013","662820","Present",NA,NA
+"8014","1,6-Tribromo-3,7-dichloro-3,7-dimethyloctane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,6-Tribromo-3,7-dichloro-3,7-dimethyloctane",NA,"CC(C)(C(CCC(C)(C(CBr)Br)Cl)Br)Cl","XFBFFDLDUMHHMB-UHFFFAOYSA-N",377931,NA,"PDBC08014","659555","Present",NA,NA
+"8015","1,7,10-Tetraazacyclododecane-1,7-bis(methanephosphonicacid)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonic acid, [1,4,7,10-tetraazacyclododecane-1,7-diy...",NA,"C1CN(CCNCCN(CCN1)CP(=O)(O)O)CP(=O)(O)O.Cl","BOKPZPYHQOATLR-UHFFFAOYSA-N",387350,NA,"PDBC08015","681104","Present",NA,NA
+"8016","1,7,11,17-Tetraoxa-2,6,12,16-tetrazacycloicosane;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7,11,17-Tetraoxa-2,6,12,16-tetrazacycloicosane hydrobromide",NA,"C1CNOCCCONCCCNOCCCONC1.Br","STWCXMVYEURJIQ-UHFFFAOYSA-N",397947,NA,"PDBC08016","707025","Present",NA,NA
+"8017","1,7,7-Trimethyl-3-(2-pyridinylamino)bicyclo[2.2.1]heptan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7,7-Trimethyl-3-(2-pyridinylamino)bicyclo[2.2.1]heptan-2-one",NA,"CC1(C2CCC1(C(=O)C2NC3=CC=CC=N3)C)C","AJUNTFPBSOPTHR-UHFFFAOYSA-N",386479,NA,"PDBC08017","678507","Present",NA,NA
+"8018","1,7,7-Trimethyl-N-[(1E)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]bicyclo[2.2.1]heptan-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7,7-Trimethyl-N-[(1E)-3,4,4-trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]bicyclo[2.2.1]heptan-2-amine",NA,"CC1(C2CCC1(C(C2)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC3=CC=CC=C3)C)C","JGKMTKAHYUUINM-FBMGVBCBSA-N",5470191,NA,"PDBC08018","698366","Present",NA,NA
+"8019","1,7,8,9-Tetrachloro-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7,8,9-Tetrachloro-10,10-dimethoxy-4-oxatricyclo[5.2.1.02,6]dec-8-ene",NA,"COC1(C2(C3COCC3C1(C(=C2Cl)Cl)Cl)Cl)OC","YWMSFCQNFGCGRQ-UHFFFAOYSA-N",384297,NA,"PDBC08019","673914","Present",NA,NA
+"8020","1,7,8-Tetramethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7,8-Tetramethoxy-11H-indeno[1,2-c]isoquinoline Hydry...",NA,"COC1=C2C=NC3=C(C2=C(C=C1)OC)CC4=CC(=C(C=C43)OC)OC.Cl","TZEGISFYFXKRCN-UHFFFAOYSA-N",11749136,NA,"PDBC08020","730926","Present",NA,NA
+"8021","1,7,9,11,16-Pentazatricyclo[8.6.0.03,8]hexadeca-3(8),4,6,9-tetraene-2,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7,9,11,16-Pentazatricyclo[8.6.0.03,8]hexadeca-3(8),4,6,9-tetraene-2,12-dione",NA,"C1CC(=O)NC2=NC3=C(C=CC=N3)C(=O)N2NC1","IXWUUVRXGVEUSH-UHFFFAOYSA-N",388461,NA,"PDBC08021","683391","Present",NA,NA
+"8022","1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis(1,3-benzodioxol-5-yl)-1,6-heptadiene-3,5-dione",NA,"C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC(=O)C=CC3=CC4=C(C=C3)OCO4","RAKTYHYXXBELPJ-IJIVKGSJSA-N",5927776,NA,"PDBC08022","666298","Present",NA,NA
+"8023","1,7-Bis(2-hydroxyphenyl)-1,6-heptadiene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis(2-hydroxyphenyl)-1,6-heptadiene-3,5-dione",NA,"C1=CC=C(C(=C1)C=CC(=O)CC(=O)C=CC2=CC=CC=C2O)O","DXORQEWMXKLOAN-WGDLNXRISA-N",5825618,NA,"PDBC08023","666295","Present",NA,NA
+"8024","1,7-Bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis(2-oxo-2-piperidin-1-ylethyl)-1,4,7,10-tetraazacyclododecane",NA,"C1CCN(CC1)C(=O)CN2CCNCCN(CCNCC2)CC(=O)N3CCCCC3","QYURTXOCHABJSH-UHFFFAOYSA-N",393890,NA,"PDBC08024","696850","Present",NA,NA
+"8025","1,7-Bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)heptane-1,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis(4,5-dihydroxy-10-oxo-9H-anthracen-9-yl)heptane-1,7-dione",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)CCCCCC(=O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=CC=C6O)C=CC=C3O","HMAWAKRPJNEOSD-UHFFFAOYSA-N",369406,NA,"PDBC08025","641176","Present",NA,NA
+"8026","1,7-Bis(4-hydroxy-3-(hydroxy(oxido)amino)phenyl)-1,6-heptadiene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis(4-hydroxy-3-(hydroxy(oxido)amino)phenyl)-1,6-heptadiene-3,5-dione",NA,"C1=CC(=C(C=C1C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O","TVIZIMUYJIMFKN-IJIVKGSJSA-N",5470823,NA,"PDBC08026","705587","Present",NA,NA
+"8027","1,7-Bis(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AM84547",NA,"CC(C)(C)OC(=O)CN1CCNCCN(CCNCC1)CC(=O)OC(C)(C)C","OERWIIJOLSXGAQ-UHFFFAOYSA-N",393881,NA,"PDBC08027","696842","Present",NA,NA
+"8028","1,7-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,7-heptanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[7-[7-Acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-7-oxoheptanoyl]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-7-yl]acetamide",NA,"CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O","DNHUTNVBMVSVOB-UHFFFAOYSA-N",400401,NA,"PDBC08028","711947","Present",NA,NA
+"8029","1,7-Di(2-furyl)-1,6-heptadiene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Di(2-furyl)-1,6-heptadiene-3,5-dione",NA,"C1=COC(=C1)C=CC(=O)CC(=O)C=CC2=CC=CO2","VVSPMCDLBJTCII-KQQUZDAGSA-N",5801551,NA,"PDBC08029","666294","Present",NA,NA
+"8030","1,7-Dichloro-2,6-bis(chloro(difluoro)methyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-4-heptanone hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Dichloro-2,6-bis(chloro(difluoro)methyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-4-heptanone hydrazone",NA,"C(C(=NN)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","YAYYECXATLOVKC-UHFFFAOYSA-N",377630,NA,"PDBC08030","659209","Present",NA,NA
+"8031","1,7-Dichloro-2,6-bis(chloro(difluoro)methyl)-1,1,7,7-tetrafluoro-2,6-dihydroxy-4-heptanone phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Dichloro-2,6-bis[chloro(difluoro)methyl]-1,1,7,7-tetrafluoro-4-(phenylhydrazono)heptane-2,6-diol",NA,"C1=CC=C(C=C1)NN=C(CC(C(F)(F)Cl)(C(F)(F)Cl)O)CC(C(F)(F)Cl)(C(F)(F)Cl)O","YGJBAUZJHAEPOR-UHFFFAOYSA-N",377604,NA,"PDBC08031","659181","Present",NA,NA
+"8032","1,7-Dichloro-3-(4-methyloxycarbonyl)p henyl quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-cyano-6,7-dichloro-3-(4-methyloxycarbon...",NA,"COC(=O)C1=CC=C(C=C1)C2=C([N+](=O)C3=CC(=C(C=C3N2[O-])Cl)Cl)C#N","AEVGAMRENPQRCY-UHFFFAOYSA-N",11509356,NA,"PDBC08032","726185","Present",NA,NA
+"8033","1,7-Dichloro-9H-thioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Dichloro-9H-thioxanthen-9-one",NA,"C1=CC2=C(C(=C1)Cl)C(=O)C3=C(S2)C=CC(=C3)Cl","QTBGFMSSFSMNNB-UHFFFAOYSA-N",365004,NA,"PDBC08033","631915","Present",NA,NA
+"8034","1,7-Difluor-2-phenylcarbonyl-3-trifluormethyl quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-6,7-difluor-2-phenylcarbonyl-3-trifluorme...",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)F)[O-])C(F)(F)F","HSJQAFINUTWIMP-UHFFFAOYSA-N",406024,NA,"PDBC08034","723906","Present",NA,NA
+"8035","1,7-Difluoro-2-ethylcarbonyl-3-trifluoromethy lquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-6,7-difluoro-2-ethylcarbonyl-3-trifluorom...",NA,"CCC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)F)[O-])C(F)(F)F","HULPUJYAFUJPGV-UHFFFAOYSA-N",406607,NA,"PDBC08035","724827","Present",NA,NA
+"8036","1,7-Difluoro-3-(4-methyl)phenylquinox aline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-cyano-6,7-difluoro-3-(4-methyl)phenylqu...",NA,"CC1=CC=C(C=C1)C2=C([N+](=O)C3=CC(=C(C=C3N2[O-])F)F)C#N","LGEONMJCMKTLMZ-UHFFFAOYSA-N",11702372,NA,"PDBC08036","726184","Present",NA,NA
+"8037","1,7-Difluoro-3-trifluorome thylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-isoprpylcarbonyl-6,7-difluoro-3-trifluo...",NA,"CC(C)C(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)F)[O-])C(F)(F)F","HLKMVZQQFSBYIO-UHFFFAOYSA-N",24203026,NA,"PDBC08037","726543","Present",NA,NA
+"8038","1,7-Dihydro-4,1,7-benzothiadiazonine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Dihydro-4,1,7-benzothiadiazonine-2,6(3H,5H)-dione",NA,"C1C(=O)NC2=CC=CC=C2NC(=O)CS1","QXWVLUFPWNXPQD-UHFFFAOYSA-N",382460,NA,"PDBC08038","670027","Present",NA,NA
+"8039","1,7-Diiminopyrrolo[3,4-f]isoindole-3,5-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)-tetraimine",NA,"C1=C2C(=CC3=C1C(=NC3=N)N)C(=N)N=C2N","RRAPLYNIIXTZEZ-UHFFFAOYSA-N",359178,NA,"PDBC08039","619860","Present",NA,NA
+"8040","1,7-Dimethyl-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Dimethyl-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-one",NA,"CC1=CC(=O)NCCN1C","DXDORNJSYRUOKD-UHFFFAOYSA-N",371092,NA,"PDBC08040","645038","Present",NA,NA
+"8041","1,7-Dimethyl-4,10-ethano-1,4,7,10-tetraazacyclododecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Dimethyl-4,10-ethano-1,4,7,10-tetraazacyclododecane",NA,"CN1CCN2CCN(CCN(CC1)CC2)C","FFQWAXLMZUGNEC-UHFFFAOYSA-N",398646,NA,"PDBC08041","708805","Present",NA,NA
+"8042","1,7-Dimethyl-5-phenyl-[1,3]oxazolo[5,4-b]pyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Dimethyl-5-phenyl-oxazolo[5,4-b]pyridin-2-one",NA,"CC1=CC(=NC2=C1N(C(=O)O2)C)C3=CC=CC=C3","OQKKOCDIZXTNSU-UHFFFAOYSA-N",397736,NA,"PDBC08042","706159","Present",NA,NA
+"8043","1,7-Dimethyl-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Dimethyl-phenothiazone",NA,"CC1=CC2=C(C=C1)N=C3C(=CC(=O)C=C3S2)C","LZXKNTFKEPYPDR-UHFFFAOYSA-N",369389,NA,"PDBC08043","641153","Present",NA,NA
+"8044","1,7-Dimethylchromeno[2,3-b]pyridine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Dimethylchromeno[2,3-b]pyridine-2,5-dione",NA,"CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=O)N3C","FFXXUSNVUCLMSL-UHFFFAOYSA-N",355945,NA,"PDBC08044","610780","Present",NA,NA
+"8045","1,7-Diphenyl-3,5-dimethyl-4-[4-(trifluoromethyl)phenyl]dipyrazolo[3,4-b:4',3'-e]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,10-Dimethyl-4,12-diphenyl-8-[4-(trifluoromethyl)phenyl]-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene",NA,"CC1=NN(C2=NC3=C(C(=NN3C4=CC=CC=C4)C)C(=C12)C5=CC=C(C=C5)C(F)(F)F)C6=CC=CC=C6","CVYQKPIIGFCRAM-UHFFFAOYSA-N",396452,NA,"PDBC08045","702425","Present",NA,NA
+"8046","1,7-Ditosyl-1,4,7,10-tetraazacyclododecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Ditosyl-1,4,7,10-tetraazacyclododecane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCNCCN(CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C","OOWITPYJNRDUQG-UHFFFAOYSA-N",387339,NA,"PDBC08046","681083","Present",NA,NA
+"8047","1,7-Heptadien-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-bis(6-methoxybenzothizol-2-yl)aminoacetyloxy)-3-etho...",NA,"CCOC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CNC3=NC4=C(S3)C=C(C=C4)OC)OCC)OC(=O)CNC5=NC6=C(S5)C=C(C=C6)OC","UZQUMGCJPDWZDM-MKICQXMISA-N",45028272,NA,"PDBC08047","742026","Present",NA,NA
+"8048","1,7-Heptanediamine, N-(6-methoxy-4-methyl-8-quinolinyl)-N'-(1-methylethyl)-, phosphate (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Heptanediamine, N-(6-methoxy-4-methyl-8-quinolinyl)-...",NA,"CC1=C2C=C(C=C(C2=NC=C1)NCCCCCCCNC(C)C)OC.OP(=O)(O)O","CNFKXPGCBNVWJH-UHFFFAOYSA-N",328164,NA,"PDBC08048","305842","Present",NA,NA
+"8049","1,7-Phenanthroline-3-carboxylic acid, 4-ethoxy-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Phenanthroline-3-carboxylic acid, 4-ethoxy-, ethyl ester",NA,"CCOC1=C2C=CC3=C(C2=NC=C1C(=O)OCC)C=CC=N3","LPIWHZUXJFWRMS-UHFFFAOYSA-N",367729,NA,"PDBC08049","637666","Present",NA,NA
+"8050","1,8,10-Trihydroxy-10-(1-phenylprop-2-enyl)anthracen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8,10-Trihydroxy-10-(1-phenylprop-2-en-1-yl)anthracen-9(10h)-one",NA,"C=CC(C1=CC=CC=C1)C2(C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O)O","OQOLQTJRBOLEFT-UHFFFAOYSA-N",400655,NA,"PDBC08050","712916","Present",NA,NA
+"8051","1,8,10-Trihydroxy-10-allylanthracene-9(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8,10-Trihydroxy-10-allylanthracene-9(10H)-one",NA,"C=CCC1(C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O)O","HJNIOICALXFOQB-UHFFFAOYSA-N",400652,NA,"PDBC08051","712913","Present",NA,NA
+"8052","1,8,9,9a-Tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8,9,9a-Tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one",NA,"C1CC2=C3C(=CC=C2)OC4=C3C1CCC4=O","RYMIWDUWKDQNBA-UHFFFAOYSA-N",361597,NA,"PDBC08052","624778","Present",NA,NA
+"8053","1,8-Benzodiazecine-2,7-dione, 1,3,4,5,6,8-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4,5,6,8-Hexahydro-1,8-benzodiazecine-2,7-dione",NA,"C1CCC(=O)NC2=CC=CC=C2NC(=O)C1","YPRVRPCUJBONPS-UHFFFAOYSA-N",382462,NA,"PDBC08053","670029","Present",NA,NA
+"8054","1,8-Bis(p-dimethylaminobenzyl)benzocyclohepten-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethoxy-6,8-bis(p-dimethylaminobenzyl)benzocyclohe...",NA,"CN(C)C1=CC=C(C=C1)CC2=CC3=C(C=CC(=C3C=C(C2=O)CC4=CC=C(C=C4)N(C)C)OC)OC","JCKGIYYVOHZAGT-UHFFFAOYSA-N",391589,NA,"PDBC08054","691044","Present",NA,NA
+"8055","1,8-Bis[2,3-dihydro-1-(chloromethyl)-5-hydroxy-7-(acetylamino)-1H-benzo[e]indole-3-yl]-1,8-octanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N,N'-[1,8-dioxo-1,8-octanediyldi[1-(chloromet...",NA,"CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCCC(=O)N4CC(C5=C6C=CC(=CC6=C(C=C54)O)NC(=O)C)CCl)CCl)O","WLPCNVCCIRKXNR-UHFFFAOYSA-N",400402,NA,"PDBC08055","711948","Present",NA,NA
+"8056","1,8-Bis[2-(2-hydroxybenzylideneamino)ethylamino]-9,10-anthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Bis[2-(2-hydroxybenzylideneamino)ethylamino]-9,10-anthraquinone",NA,"C1=CC=C(C(=C1)C=NCCNC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4NCCN=CC5=CC=CC=C5O)O","USWSPLQZEDRNJQ-UHFFFAOYSA-N",135958488,NA,"PDBC08056","745501","Present",NA,NA
+"8057","1,8-Bis[2-[(2,5-dihydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Bis[2-[(2,5-dihydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione",NA,"C1=CC2=C(C(=C1)NCCN=CC3=C(C=CC(=C3)O)O)C(=O)C4=C(C2=O)C=CC=C4NCCN=CC5=C(C=CC(=C5)O)O","FAJYNZHLGRRFFS-UHFFFAOYSA-N",135968239,NA,"PDBC08057","747286","Present",NA,NA
+"8058","1,8-Bis[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethylamino]anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Bis[2-[(2-hydroxy-5-nitrophenyl)methylideneamino]ethylamino]anthracene-9,10-dione",NA,"C1=CC2=C(C(=C1)NCCN=CC3=C(C=CC(=C3)[N+](=O)[O-])O)C(=O)C4=C(C2=O)C=CC=C4NCCN=CC5=C(C=CC(=C5)[N+](=O)[O-])O","YGJUYOPDHQOVNW-UHFFFAOYSA-N",135968249,NA,"PDBC08058","747287","Present",NA,NA
+"8059","1,8-Diamino-4,5-dihydroxyanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-diaminochrysazin",NA,"C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)O)N)O","SJHHHHHQWQOCDQ-UHFFFAOYSA-N",31419,NA,"PDBC08059","60014","Present",NA,NA
+"8060","1,8-Dihydro-4,5,1,8-benzodithiadiazecine-2,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Dihydro-4,5,1,8-benzodithiadiazecine-2,7(3H,6H)-dione",NA,"C1C(=O)NC2=CC=CC=C2NC(=O)CSS1","XYRIFLSBRZJJRD-UHFFFAOYSA-N",382459,NA,"PDBC08060","670026","Present",NA,NA
+"8061","1,8-Dihydroxy anthraquinon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-bis(N-Cysteinyldiethylamino)-5,8-dihydroxy anthraquinon",NA,"C1=CC(=C2C(=C1NCCNC(=O)C(CS)N)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNC(=O)C(CS)N","CRHREXGMDRBOQO-UHFFFAOYSA-N",438534,NA,"PDBC08061","645018","Present",NA,NA
+"8062","1,8-Dihydroxy-11-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Dihydroxy-11-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione",NA,"COC1=C2CCC(CC2=CC3=C1C(=O)C4=C(C3=O)C=CC=C4O)O","XVJWWBRQLNXKLY-UHFFFAOYSA-N",390050,NA,"PDBC08062","686964","Present",NA,NA
+"8063","1,8-Dimethyl-4,7-diphenyl-10-thia-4,8-diazatricyclo[5.2.1.02,6]decane-3,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Dimethyl-4,7-diphenyl-10-thia-4,8-diazatricyclo[5.2.1.02,6]decane-3,5,9-trione",NA,"CC12C3C(C(=O)N(C3=O)C4=CC=CC=C4)C(S1)(N(C2=O)C)C5=CC=CC=C5","HVPHFUKVAWYJPT-UHFFFAOYSA-N",397452,NA,"PDBC08063","705310","Present",NA,NA
+"8064","1,8-Dimethyl-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Dimethyl-phenothiazone",NA,"CC1=CC2=C(C=C1)SC3=CC(=O)C=C(C3=N2)C","HTRMLOVFQZZCHG-UHFFFAOYSA-N",369390,NA,"PDBC08064","641154","Present",NA,NA
+"8065","1,8-Methylenedioxy-11H-indeno[1,2-c]isoquinoli ne Hydrychloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoqui...",NA,"COC1=C2C=NC3=C(C2=C(C=C1)OC)CC4=CC5=C(C=C43)OCO5.Cl","ZURIWWOSNUKPSV-UHFFFAOYSA-N",11382758,NA,"PDBC08065","730923","Present",NA,NA
+"8066","1,8-Octanediamine, N,N'-bis(1-naphthalenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Octanediamine, N,N'-bis(1-naphthalenylmethyl)-",NA,"C1=CC=C2C(=C1)C=CC=C2CNCCCCCCCCNCC3=CC=CC4=CC=CC=C43","RUSAGYULHXYFNT-UHFFFAOYSA-N",364092,NA,"PDBC08066","629733","Present",NA,NA
+"8067","1,8-Octanediamine, N,N'-bis(3-methoxy-9-acridinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(3-methoxy-9-acridinyl)-1,8-octanediamine",NA,"COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NCCCCCCCCNC4=C5C=CC(=CC5=NC6=CC=CC=C64)OC","APEGUHYDSVLTGU-UHFFFAOYSA-N",99670,NA,"PDBC08067","263434","Present",NA,NA
+"8068","1,8-Octanediamine, N1,N8-bis(7-dimethylamino-2-methyl-4-quinolinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Quinolinediamine, N(4),N(4')-1,8-octanediylbis(N(7),...",NA,"CC1=CC(=C2C=CC(=CC2=N1)N(C)C)NCCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N(C)C","IRCZAKCZHXNLMF-UHFFFAOYSA-N",329577,NA,"PDBC08068","313158","Present",NA,NA
+"8069","1,8-Oxybis(ethyleneoxyethyleneoxy)anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Oxybis(ethyleneoxyethyleneoxy)anthracene-9,10-dione",NA,"C1COCCOC2=CC=CC3=C2C(=O)C4=C(C3=O)C=CC=C4OCCOCCO1","CDVLSTFERMNIJY-UHFFFAOYSA-N",362911,NA,"PDBC08069","627386","Present",NA,NA
+"8070","1,9,12,15,23,26,31,37-Octazapentacyclo[21.5.5.59,15.13,7.117,21]tetraconta-3(40),4,6,17,19,21(34)-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,9,12,15,23,26,31,37-Octazapentacyclo[21.5.5.59,15.13,7.117,21]tetraconta-3(40),4,6,17,19,21(34)-hexaene",NA,"C1CN2CCNCCN(CCN1)CC3=CC(=CC=C3)CN4CCNCCN(CCNCC4)CC5=CC=CC(=C5)C2","WZOOOZJLKSXDSO-UHFFFAOYSA-N",393776,NA,"PDBC08070","696460","Present",NA,NA
+"8071","1,9,15-Triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),10,12,14(17),15-pentaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,9,15-Triazatetracyclo[8.6.1.02,7.014,17]heptadeca-2(7),10,12,14(17),15-pentaen-8-one",NA,"C1CCC2=C(C1)C(=O)NC3=CC=CC4=C3N2C=N4","KNBIGPUSAATFRD-UHFFFAOYSA-N",375448,NA,"PDBC08071","655180","Present",NA,NA
+"8072","1,9-Bis(2-(diethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,9-Bis(2-(diethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione",NA,"CCN(CC)CCN1C=CC(=O)C2=CC3=C(C(=C21)C)N(C=CC3=O)CCN(CC)CC","WPBJWZUIXYBIHI-UHFFFAOYSA-N",371160,NA,"PDBC08072","645161","Present",NA,NA
+"8073","1,9-Bis(2-(dimethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,9-Bis(2-(dimethylamino)ethyl)-10-methylpyrido[3,2-g]quinoline-4,6(1H,9H)-dione",NA,"CC1=C2C(=CC3=C1N(C=CC3=O)CCN(C)C)C(=O)C=CN2CCN(C)C","WXIVGXOYHKWXPQ-UHFFFAOYSA-N",371159,NA,"PDBC08073","645160","Present",NA,NA
+"8074","1,9-Bis(methoxymethyl)-3,7-dimethyl-1,2,3,4,6,7,8,9-octahydro-2,4,6,8-tetraoxopyrimido[5,4-g]pteridine 5-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimido[5,4-g]pteridine-2,4,6,8(1H,3H,7H,9H)-tetrone, 1,9-bis(methoxymethyl)-3,7-dimethyl-, 5-oxide",NA,"CN1C(=O)C2=C(N=C3C(=[N+]2[O-])C(=O)N(C(=O)N3COC)C)N(C1=O)COC","QSCPXNCARHFRGF-UHFFFAOYSA-N",385097,NA,"PDBC08074","676032","Present",NA,NA
+"8075","1,9-Dimethoxy-4,4-dimethyl-3,5,8,10-tetraoxatricyclo[5.2.2.02,6]undecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,9-Dimethoxy-4,4-dimethyl-3,5,8,10-tetraoxatricyclo[5.2.2.02,6]undecane",NA,"CC1(OC2C3COC(C2O1)(C(O3)OC)OC)C","VBOFPGLFXWCGQY-UHFFFAOYSA-N",388911,NA,"PDBC08075","684147","Present",NA,NA
+"8076","1,9-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,9-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10-diol",NA,"CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)O)OC)OC)O","PQBKKPXFZHPMRG-UHFFFAOYSA-N",390656,NA,"PDBC08076","688260","Present",NA,NA
+"8077","1,9-Dimethyl-2,3-dihydro-[1,4]oxazepino[6,5-c][1,8]naphthyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,9-Dimethyl-2,3-dihydro-[1,4]oxazepino[6,5-c][1,8]naphthyridin-5-one",NA,"CC1=NC2=NC=C3C(=C2C=C1)N(CCOC3=O)C","HXXVCEXLGOYHKR-UHFFFAOYSA-N",386982,NA,"PDBC08077","680293","Present",NA,NA
+"8078","1,9-Dithiacyclohexadecane-5,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,9-Dithiacyclohexadecane-5,13-dione",NA,"C1CC(=O)CCCSCCCC(=O)CCCSC1","GINDBEJTBKXPOJ-UHFFFAOYSA-N",373748,NA,"PDBC08078","650647","Present",NA,NA
+"8079","1,9-Methano-1H-oxepino[3,4-f]indole-3a,5(4H)-diacetic acid, 4-amino-2,3,4a,5,7,9a,10,10a-octahydro-a3a-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-Amino-7-(carboxymethyl)-8-oxa-1-azatetracyclo[9.3.1.04,14.06,12]pentadec-10-en-4-yl]-2-oxoacetic acid",NA,"C1CN2CC3=CCOC(C4C3CC2C1(C4N)C(=O)C(=O)O)CC(=O)O","SAYFSSIFBPEQHK-UHFFFAOYSA-N",280186,NA,"PDBC08079","131612","Present",NA,NA
+"8080","1,9-[6-Methoxy-7-(ditosylamino)quinoline-2,3-diylcarbonyl]-beta-carboline-3-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-[bis-(4-methylphenyl)sulfonylamino]-7-methoxy-12-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),3,5,7,9,14,16,18,20,22-undecaene-22-carboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=NC4=C(C=C3C=C2OC)C(=O)N5C6=CC=CC=C6C7=CC(=NC4=C75)C(=O)OC)S(=O)(=O)C8=CC=C(C=C8)C","BVLBWHFVIQTRFE-UHFFFAOYSA-N",45028276,NA,"PDBC08080","742036","Present",NA,NA
+"8081","1,9-[7-(Ditosylamino)quinoline-2,3-diylcarbonyl]-beta-carboline-3-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-[bis-(4-methylphenyl)sulfonylamino]-12-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),3,5,7,9,14,16,18,20,22-undecaene-22-carboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=NC4=C(C=C3C=C2)C(=O)N5C6=CC=CC=C6C7=CC(=NC4=C75)C(=O)OC)S(=O)(=O)C8=CC=C(C=C8)C","HLOXBRGTNYMEJA-UHFFFAOYSA-N",45028315,NA,"PDBC08081","742162","Present",NA,NA
+"8082","1,9:5,10-Diepidiselenoanthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthra[9,1-cd-10,5-c'd']bis[1,2]diselenole",NA,"C1=CC2=C3C(=C1)[Se][Se]C3=C4C=CC=C5C4=C2[Se][Se]5","VANOAKWXYHHHIN-UHFFFAOYSA-N",365232,NA,"PDBC08082","632579","Present",NA,NA
+"8083","1,L-Alanyl)-3-phenoxazone nitrate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Benzo-8-(D,L-alanyl)-3-phenoxazone nitrate salt",NA,"C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=CC(=C4)CC(C(=O)O)N.[N+](=O)(O)[O-]","BNIGYSSWARYXFF-UHFFFAOYSA-N",5459200,NA,"PDBC08083","643735","Present",NA,NA
+"8084","1,N-Bis[4-(2-hydroxy-5-chlorophenyl)-6-phenyl-5,6-dihydro pyrimidine-2-yl]diamino methane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-N,N-bis[4-(2-hydroxy-5-chlorophenyl)-6-phenyl-5,6- d...",NA,"C1C(NC(=NCN=C2NC(CC(=N2)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4)N=C1C5=C(C=CC(=C5)Cl)O)C6=CC=CC=C6","RTEOWMPXDIYBMX-UHFFFAOYSA-N",135436167,NA,"PDBC08084","711125","Present",NA,NA
+"8085","1,N-Diethylaminoethylaminoacetyloxy)-3-ethoxyphenyl)-1,6-heptadien-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-bis(4-(N,N-diethylaminoethylaminoacetyloxy)-3-ethoxy...",NA,"CCN(CC)CCNCC(=O)OC1=C(C=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CNCCN(CC)CC)OCC)OCC","LFISOHASIAJBPL-HBKJEHTGSA-N",45028273,NA,"PDBC08085","742027","Present",NA,NA
+"8086","1,N-Diethylaminoethylaminoacetyloxy)-3-methoxyphenyl)-1,7-hepadien-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-bis(4-(N,N-diethylaminoethylaminoacetyloxy)-3-methox...",NA,"CCN(CC)CCNCC(=O)OC1=C(C=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CNCCN(CC)CC)OC)OC","JGGKKHBCUKNJHM-JOBJLJCHSA-N",45028271,NA,"PDBC08086","742025","Present",NA,NA
+"8087","1,N-Phenylmethyl)methylamino] quinoxaline.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-acetyl-3-[(N,N-phenylmethyl)methylamino...",NA,"CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CN(C)C3=CC=CC=C3","GMMQWUHATYEDPT-UHFFFAOYSA-N",406026,NA,"PDBC08087","723908","Present",NA,NA
+"8088","1-((((2-Hydroxy-1-naphthyl)methylene)amino)methyl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[(2-Hydroxynaphthalen-1-yl)methylamino]methylidene]naphthalen-2-one",NA,"C1=CC=C2C(=C1)C=CC(=C2CN=CC3=C(C=CC4=CC=CC=C43)O)O","FQPAVMLGOVHHFR-UHFFFAOYSA-N",241061,NA,"PDBC08088","48162","Present",NA,NA
+"8089","1-(((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl)amino)cyclopentanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl)amino)cyclopentanecarboxylic acid",NA,"C1CCC(C1)(C(=O)O)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O","JRAWMZWCDVFJTK-UHFFFAOYSA-N",254476,NA,"PDBC08089","78864","Present",NA,NA
+"8090","1-(((1-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopentyl)carbonyl)amino)cyclopentanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[1-(1,3-Dioxoisoindol-2-yl)cyclopentanecarbonyl]amino]cyclopentane-1-carboxylic acid",NA,"C1CCC(C1)(C(=O)NC2(CCCC2)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O","GDJTXBOCDAUDSR-UHFFFAOYSA-N",254481,NA,"PDBC08090","78871","Present",NA,NA
+"8091","1-(((1-Allyl-2-oxohydrazino)carbonyl)oxy)-2,5-pyrrolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((1-Allyl-2-oxohydrazino)carbonyl)oxy)-2,5-pyrrolidinedione",NA,"C=CCN(C(=O)ON1C(=O)CCC1=O)N=O","NYLVMGGFKIVAOB-UHFFFAOYSA-N",366404,NA,"PDBC08091","634773","Present",NA,NA
+"8092","1-(((1-Aminocyclopentyl)carbonyl)amino)cyclopentanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC63331",NA,"C1CCC(C1)(C(=O)NC2(CCCC2)C(=O)O)N","CQRNJEMZHCDADB-UHFFFAOYSA-N",247882,NA,"PDBC08092","63331","Present",NA,NA
+"8093","1-(((1-Naphthylmethyl)thio)methyl)naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DAQRZDDIMCDMPZ-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C=CC=C2CSCC3=CC=CC4=CC=CC=C43","DAQRZDDIMCDMPZ-UHFFFAOYSA-N",233907,NA,"PDBC08093","33052","Present",NA,NA
+"8094","1-(((2-Amino-5,6-dichloro-4-pyrimidinyl)amino)methyl)cyclobutanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((2-Amino-5,6-dichloro-4-pyrimidinyl)amino)methyl)cyclobutanol",NA,"C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)Cl)O","WDHIUEKWKZWEJB-UHFFFAOYSA-N",385221,NA,"PDBC08094","676334","Present",NA,NA
+"8095","1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclobutanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclobutanol",NA,"C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)O)CO","SYZAMEQAUFLVSQ-UHFFFAOYSA-N",385219,NA,"PDBC08095","676332","Present",NA,NA
+"8096","1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutanol",NA,"C1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)O","NOXXNWBTDYKGIU-UHFFFAOYSA-N",385216,NA,"PDBC08096","676329","Present",NA,NA
+"8097","1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentanol",NA,"C1CCC(C1)(CNC2=CC(=NC(=N2)N)Cl)O","DMKMTTOTTZFRQX-UHFFFAOYSA-N",385217,NA,"PDBC08097","676330","Present",NA,NA
+"8098","1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopropanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopropanol",NA,"C1CC1(CNC2=CC(=NC(=N2)N)Cl)O","RSQPBSAKBHGYPL-UHFFFAOYSA-N",385220,NA,"PDBC08098","676333","Present",NA,NA
+"8099","1-(((2-Hydroxyphenyl)imino)methyl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HAMNO",NA,"C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=CC=C3O)O","FMIVOPRNBGRDKP-UHFFFAOYSA-N",85895,NA,"PDBC08099","111847","Present",NA,NA
+"8100","1-(((2-Oxo-1-(2-propynyl)hydrazino)carbonyl)oxy)-2,5-pyrrolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((2-Oxo-1-(2-propynyl)hydrazino)carbonyl)oxy)-2,5-pyrrolidinedione",NA,"C#CCN(C(=O)ON1C(=O)CCC1=O)N=O","XGROVBHXLVLJSZ-UHFFFAOYSA-N",366405,NA,"PDBC08100","634774","Present",NA,NA
+"8101","1-(((3,5-Dichloro-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((3,5-Dichloro-2-hydroxybenzyl)(methyl)amino)methyl)-2-naphthol",NA,"CN(CC1=C(C(=CC(=C1)Cl)Cl)O)CC2=C(C=CC3=CC=CC=C32)O","FBHWANHQHCXNOW-UHFFFAOYSA-N",257455,NA,"PDBC08101","85479","Present",NA,NA
+"8102","1-(((4-(Methoxycarbonyl)benzyl)oxy)carbonyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((4-(Methoxycarbonyl)benzyl)oxy)carbonyl)-2,3-dihydro-1H-pyrrole-2-carboxylic acid",NA,"COC(=O)C1=CC=C(C=C1)COC(=O)N2C=CCC2C(=O)O","ZQPHGQICLWNNSD-UHFFFAOYSA-N",381439,NA,"PDBC08102","668027","Present",NA,NA
+"8103","1-(((4-Methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((4-Methylphenyl)sulfinyl)oxy)-4-phenyl-4-piperidinecarboxylic acid",NA,"CC1=CC=C(C=C1)S(=O)ON2CCC(CC2)(C3=CC=CC=C3)C(=O)O","AUNZEEIWDQBQHT-UHFFFAOYSA-N",229831,NA,"PDBC08103","23833","Present",NA,NA
+"8104","1-(((5-Chloro-2-hydroxy-3-methylbenzyl)(ethyl)amino)methyl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((5 chloro-2-hydroxy-3-methylbenzyl)-(ethyl)amino)met...",NA,"CCN(CC1=C(C(=CC(=C1)Cl)C)O)CC2=C(C=CC3=CC=CC=C32)O","UDLFVFDPORVSLW-UHFFFAOYSA-N",259173,NA,"PDBC08104","88850","Present",NA,NA
+"8105","1-(((5-Tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((5-Tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)-2-naphthol",NA,"CC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC3=CC=CC=C32)O)C4CCCCC4","DCXFQOGCYSVVMB-UHFFFAOYSA-N",241463,NA,"PDBC08105","48858","Present",NA,NA
+"8106","1-(((Allylamino)carbonyl)oxy)-2,5-pyrrolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(prop-2-en-1-ylcarbamoyl)oxy]pyrrolidine-2,5-dione",NA,"C=CCNC(=O)ON1C(=O)CCC1=O","HZOPATIHELMVJK-UHFFFAOYSA-N",366403,NA,"PDBC08106","634772","Present",NA,NA
+"8107","1-(((Benzyloxy)carbonyl)amino)-2-phenylethyl(phenyl)phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((Benzyloxy)carbonyl)amino)-2-phenylethyl(phenyl)phosphinic acid",NA,"C1=CC=C(C=C1)CC(NC(=O)OCC2=CC=CC=C2)P(=O)(C3=CC=CC=C3)O","CCFLCVNTJITMRL-UHFFFAOYSA-N",382236,NA,"PDBC08107","669690","Present",NA,NA
+"8108","1-(((Benzyloxy)carbonyl)amino)-3-(methylthio)propyl(phenyl)phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(((Benzyloxy)carbonyl)amino)-3-(methylthio)propyl(phenyl)phosphinic acid",NA,"CSCCC(NC(=O)OCC1=CC=CC=C1)P(=O)(C2=CC=CC=C2)O","IXZKCDHFNWATHQ-UHFFFAOYSA-N",382184,NA,"PDBC08108","669643","Present",NA,NA
+"8109","1-((1-(Hydroxymethyl)cyclobutyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((1-(Hydroxymethyl)cyclobutyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione",NA,"CC1=CN(C(=O)NC1=O)CC2(CCC2)CO","OKXDWGWJBWQINO-UHFFFAOYSA-N",385299,NA,"PDBC08109","676411","Present",NA,NA
+"8110","1-((1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((1-Isobutyl-1H-imidazo[4,5-c]quinolin-4-yl)amino)-2-propanol",NA,"CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2NCC(C)O","LLWAFJIGMJNGTM-UHFFFAOYSA-N",383963,NA,"PDBC08110","672967","Present",NA,NA
+"8111","1-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)piperidine",NA,"CCCC[Sn]1(OCC(O1)CN2CCCCC2)CCCC","HVGIUPJHENJJGG-UHFFFAOYSA-N",16683175,NA,"PDBC08111","633510","Present",NA,NA
+"8112","1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione",NA,"C=C1CC(OC1=O)(CN2C=CC(=O)NC2=O)C3=CC=C(C=C3)Cl","DHBWPEHCYQTOKO-UHFFFAOYSA-N",381498,NA,"PDBC08112","668254","Present",NA,NA
+"8113","1-((2-(4-Chlorophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pyrimidinedione, 1-[[2-(4-chlorophenyl)- tetr...",NA,"CC1=CN(C(=O)NC1=O)CC2(CC(=C)C(=O)O2)C3=CC=C(C=C3)Cl","KARAYLKTZYZMLC-UHFFFAOYSA-N",381501,NA,"PDBC08113","668257","Present",NA,NA
+"8114","1-((2-(4-Methoxyphenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-(4-Methoxyphenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione",NA,"COC1=CC=C(C=C1)C2(CC(=C)C(=O)O2)CN3C=CC(=O)NC3=O","MOBVDQIZDTYGNW-UHFFFAOYSA-N",381499,NA,"PDBC08114","668255","Present",NA,NA
+"8115","1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine",NA,"CCN(CC)CCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N","CIJPFODCDIHSPF-UHFFFAOYSA-N",377164,NA,"PDBC08115","658366","Present",NA,NA
+"8116","1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-(Diethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine",NA,"CCN(CC)CCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]","FNASIBKSUKZENM-UHFFFAOYSA-N",377168,NA,"PDBC08116","658370","Present",NA,NA
+"8117","1-((2-(Diethylamino)ethyl)amino)-9-((2-(diethylamino)ethyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,9-N-Bis[2-(diethylamino)ethyl]-7-methoxy-4-nitroacridine-1,9-diamine",NA,"CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCN(CC)CC)OC","XVFFUYLEENFENO-UHFFFAOYSA-N",377160,NA,"PDBC08117","658362","Present",NA,NA
+"8118","1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine",NA,"CN(C)CCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N","IWYQEVULXPVJPD-UHFFFAOYSA-N",377163,NA,"PDBC08118","658365","Present",NA,NA
+"8119","1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-(Dimethylamino)ethyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine",NA,"CN(C)CCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]","BXUJQSDKGQJJRF-UHFFFAOYSA-N",377167,NA,"PDBC08119","658369","Present",NA,NA
+"8120","1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Xanthen-9-one, 1-[[2-(dimethylamino)ethyl]amino]- 7-h...",NA,"CN(C)CCNC1=C2C(=C(C=C1)CO)OC3=C(C2=O)C=C(C=C3)O","BOTXZPXSICDQHE-UHFFFAOYSA-N",337396,NA,"PDBC08120","355184","Present",NA,NA
+"8121","1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-methyl-9H-xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-methyl-9H-xanthen-9-one",NA,"CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(O2)C=CC(=C3)O","QBUATVGLDZNNBO-UHFFFAOYSA-N",434117,NA,"PDBC08121","342979","Present",NA,NA
+"8122","1-((2-(Dimethylamino)ethyl)amino)-9-((2-(dimethylamino)ethyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,9-N-Bis[2-(dimethylamino)ethyl]-7-methoxy-4-nitroacridine-1,9-diamine",NA,"CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCN(C)C)OC","ZCZLOODDVPCOIS-UHFFFAOYSA-N",377159,NA,"PDBC08122","658361","Present",NA,NA
+"8123","1-((2-Amino-6-phenyl-4-pyrimidinyl)methyl)cyclohexanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-Amino-6-phenyl-4-pyrimidinyl)methyl)cyclohexanol",NA,"C1CCC(CC1)(CC2=CC(=NC(=N2)N)C3=CC=CC=C3)O","XPEWIIZLDMDSIN-UHFFFAOYSA-N",365312,NA,"PDBC08123","632900","Present",NA,NA
+"8124","1-((2-Chloro-1-(chloromethyl)ethyl)thio)-4-fluorobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1-[[2-chloro-1-(chloromethyl)ethyl]thio]-4-fluoro-",NA,"C1=CC(=CC=C1F)SC(CCl)CCl","LIWQRLJKDFATDY-UHFFFAOYSA-N",354778,NA,"PDBC08124","607347","Present",NA,NA
+"8125","1-((2-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol",NA,"C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=CC=C3Cl)C4=CC=C(C=C4)Cl","ALRVIBJQTOPFIZ-UHFFFAOYSA-N",367877,NA,"PDBC08125","638043","Present",NA,NA
+"8126","1-((2-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone",NA,"CC1=CC=C(C=C1)C2(CC(=NN2C(=O)COC3=CC=CC=C3Cl)C4=CC=C(O4)[N+](=O)[O-])O","QZRSETPEVKTSNM-UHFFFAOYSA-N",367870,NA,"PDBC08126","638036","Present",NA,NA
+"8127","1-((2-Chlorophenyl)(1H-indazol-1-yl)methyl)-1H-indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-Chlorophenyl)(1H-indazol-1-yl)methyl)-1H-indazole",NA,"C1=CC=C2C(=C1)C=NN2C(C3=CC=CC=C3Cl)N4C5=CC=CC=C5C=N4","DRQXTWXIFCGWDN-UHFFFAOYSA-N",364071,NA,"PDBC08127","629710","Present",NA,NA
+"8128","1-((2-Ethyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-Ethyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol",NA,"CCC1=NC2=C(N1)C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O","CDMBPCSJABTNNV-UHFFFAOYSA-N",371434,NA,"PDBC08128","645656","Present",NA,NA
+"8129","1-((2-Fluoro-1-(((4-methylphenyl)sulfinyl)methyl)ethoxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-Fluoro-1-(((4-methylphenyl)sulfinyl)methyl)ethoxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione",NA,"CC1=CC=C(C=C1)S(=O)CC(CF)OCN2C=C(C(=O)NC2=O)C","LRKAJIMUJOASCI-UHFFFAOYSA-N",382811,NA,"PDBC08129","670539","Present",NA,NA
+"8130","1-((2-Hydroxy-1-(hydroxymethyl)ethoxy)methyl)-5-phenyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-Hydroxy-1-(hydroxymethyl)ethoxy)methyl)-5-phenyl-2,4(1H,3H)-pyrimidinedione",NA,"C1=CC=C(C=C1)C2=CN(C(=O)NC2=O)COC(CO)CO","OSMRSGVEQZYFND-UHFFFAOYSA-N",381523,NA,"PDBC08130","668279","Present",NA,NA
+"8131","1-((2-Hydroxyethoxy)methyl)-5-phenyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-Hydroxyethoxy)methyl)-5-phenyl-2,4(1H,3H)-pyrimidinedione",NA,"C1=CC=C(C=C1)C2=CN(C(=O)NC2=O)COCCO","DJVWZOVTDMLYJJ-UHFFFAOYSA-N",381522,NA,"PDBC08131","668278","Present",NA,NA
+"8132","1-((2-Methyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-Methyl-1H-benzimidazol-5-yl)diazenyl)-2-naphthol",NA,"CC1=NC2=C(N1)C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O","GFVLBOGSQWCHGO-UHFFFAOYSA-N",371433,NA,"PDBC08132","645655","Present",NA,NA
+"8133","1-((2-Propynyloxy)methyl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-Propynyloxy)methyl)-2,4(1H,3H)-pyrimidinedione",NA,"C#CCOCN1C=CC(=O)NC1=O","FELZLZWQZVDDGL-UHFFFAOYSA-N",376606,NA,"PDBC08133","657617","Present",NA,NA
+"8134","1-((2-Pyridinylmethyl)thio)acetone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-Pyridinylmethyl)thio)acetone",NA,"CC(=O)CSCC1=CC=CC=N1","HDVYPXHPWJTNAK-UHFFFAOYSA-N",264035,NA,"PDBC08134","98828","Present",NA,NA
+"8135","1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-[1,1'-Biphenyl]-4-yl-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione",NA,"C=C1CC(OC1=O)(CN2C=CC(=O)NC2=O)C3=CC=C(C=C3)C4=CC=CC=C4","CHNLXVZWZIJDSA-UHFFFAOYSA-N",381500,NA,"PDBC08135","668256","Present",NA,NA
+"8136","1-((2R,3S,4R,5R)-3-Fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-YL)pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-deoxy-2'-fluorouridine///FAU",NA,"C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F","UIYWFOZZIZEEKJ-UHFFFAOYSA-N",352500,NA,"PDBC08136","526645///678515","Present",NA,NA
+"8137","1-((3,4-Dimethoxybenzylidene)amino)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((3,4-Dimethoxybenzylidene)amino)-2-naphthol",NA,"COC1=C(C=C(C=C1)C=NC2=C(C=CC3=CC=CC=C32)O)OC","WLADIRHKJOTLNV-UHFFFAOYSA-N",226514,NA,"PDBC08137","17061","Present",NA,NA
+"8138","1-((3-(((2,5-Dioxo-1-pyrrolidinyl)methyl)amino)anilino)methyl)-2,5-pyrrolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((3-(((2,5-Dioxo-1-pyrrolidinyl)methyl)amino)anilino)methyl)-2,5-pyrrolidinedione",NA,"C1CC(=O)N(C1=O)CNC2=CC(=CC=C2)NCN3C(=O)CCC3=O","DETYQSRFAKNSIQ-UHFFFAOYSA-N",365544,NA,"PDBC08138","633245","Present",NA,NA
+"8139","1-((3-(Diethylamino)-2-hydroxypropyl)amino)-4-((2,3-epoxypropyl)amino)-9,10-anthracenedione fumaric acid salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3'-(Diethylamino)-2'-hydroxypropyl]amino]-4- [(2'',3...",NA,"CCN(CC)CC(CNC1=C2C(=C(C=C1)NCC3CO3)C(=O)C4=CC=CC=C4C2=O)O.C(=CC(=O)O)C(=O)O","BREXYFHGCPUYSM-WLHGVMLRSA-N",5388837,NA,"PDBC08139","639366","Present",NA,NA
+"8140","1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine",NA,"CCN(CC)CCCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N","XMXJZSOGXBXAQL-UHFFFAOYSA-N",377166,NA,"PDBC08140","658368","Present",NA,NA
+"8141","1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((3-(Diethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine",NA,"CCN(CC)CCCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]","CRFPZOQIRQYUOT-UHFFFAOYSA-N",377170,NA,"PDBC08141","658372","Present",NA,NA
+"8142","1-((3-(Diethylamino)propyl)amino)-9-((3-(diethylamino)propyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,9-N-Bis[3-(diethylamino)propyl]-7-methoxy-4-nitroacridine-1,9-diamine",NA,"CCN(CC)CCCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCCN(CC)CC)OC","JRFJTWWJMLKUNV-UHFFFAOYSA-N",377162,NA,"PDBC08142","658364","Present",NA,NA
+"8143","1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-7-methoxy-9,10-dihydroacridine",NA,"CN(C)CCCNC1=C2C(=C3C=C(C=CC3=NC2=C(C=C1)[N+](=O)[O-])OC)N","HKLXXNLFNSXNNA-UHFFFAOYSA-N",377165,NA,"PDBC08143","658367","Present",NA,NA
+"8144","1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((3-(Dimethylamino)propyl)amino)-4-(hydroxy(oxido)amino)-9-imino-9,10-dihydroacridine",NA,"CN(C)CCCNC1=CC=C(C2=NC3=CC=CC=C3C(=C12)N)[N+](=O)[O-]","LCDONRWWUHTTBU-UHFFFAOYSA-N",377169,NA,"PDBC08144","658371","Present",NA,NA
+"8145","1-((3-(Dimethylamino)propyl)amino)-9-((3-(dimethylamino)propyl)imino)-4-(hydroxy(oxido)amino)-7-methoxy-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,9-N-Bis[3-(dimethylamino)propyl]-7-methoxy-4-nitroacridine-1,9-diamine",NA,"CN(C)CCCNC1=C2C(=C(C=C1)[N+](=O)[O-])N=C3C=CC(=CC3=C2NCCCN(C)C)OC","YRKVZONKXGMJCC-UHFFFAOYSA-N",377161,NA,"PDBC08145","658363","Present",NA,NA
+"8146","1-((3-Hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)methyl)-3-pyrrolidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((3-Hydroxy-6-(hydroxymethyl)-4-oxo-4H-pyran-2-yl)methyl)-3-pyrrolidinecarboxylic acid",NA,"C1CN(CC1C(=O)O)CC2=C(C(=O)C=C(O2)CO)O","RFRLLLYAWDZXLD-UHFFFAOYSA-N",273116,NA,"PDBC08146","118068","Present",NA,NA
+"8147","1-((3-Methoxyphenyl)diazenyl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((3-Methoxyphenyl)diazenyl)pyrrolidine",NA,"COC1=CC=CC(=C1)N=NN2CCCC2","FTAKNTQJSQWQGF-UHFFFAOYSA-N",390401,NA,"PDBC08147","687755","Present",NA,NA
+"8148","1-((4'-((1-Cyanocyclopentyl)amino)[1,1'-biphenyl]-4-yl)amino)cyclopentanecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4'-((1-Cyanocyclopentyl)amino)[1,1'-biphenyl]-4-yl)amino)cyclopentanecarbonitrile",NA,"C1CCC(C1)(C#N)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC4(CCCC4)C#N","DBCCRWIMQOCVFV-UHFFFAOYSA-N",266698,NA,"PDBC08148","105444","Present",NA,NA
+"8149","1-((4-(4-(((2,5-Dioxo-1-pyrrolidinyl)methyl)amino)benzoyl)anilino)methyl)-2,5-pyrrolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4-(4-(((2,5-Dioxo-1-pyrrolidinyl)methyl)amino)benzoyl)anilino)methyl)-2,5-pyrrolidinedione",NA,"C1CC(=O)N(C1=O)CNC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)NCN4C(=O)CCC4=O","NZYORHOGNSGAKC-UHFFFAOYSA-N",365545,NA,"PDBC08149","633246","Present",NA,NA
+"8150","1-((4-Benzyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4-Benzyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one",NA,"C1CN2C(=O)C3=CC=CC=C3N=C2N(C1)C(=O)CN4CCN(CC4)CC5=CC=CC=C5","WMJOMCXPPMHNRI-UHFFFAOYSA-N",381984,NA,"PDBC08150","669304","Present",NA,NA
+"8151","1-((4-Bromophenyl)diazenyl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C11H14BrN3",NA,"C1CCN(CC1)N=NC2=CC=C(C=C2)Br","IXEQSZLSGIDWGB-UHFFFAOYSA-N",390400,NA,"PDBC08151","687754","Present",NA,NA
+"8152","1-((4-Bromophenyl)diazenyl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4-Bromophenyl)diazenyl)pyrrolidine",NA,"C1CCN(C1)N=NC2=CC=C(C=C2)Br","VNIADXHPZRPGIW-UHFFFAOYSA-N",390394,NA,"PDBC08152","687748","Present",NA,NA
+"8153","1-((4-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4-Chlorophenoxy)acetyl)-3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol",NA,"C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","ZZBKQACBUAMRNJ-UHFFFAOYSA-N",367876,NA,"PDBC08153","638042","Present",NA,NA
+"8154","1-((4-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitro-2-furyl)-5-(p-tolyl)-4H-pyrazol-1-yl]ethanone",NA,"CC1=CC=C(C=C1)C2(CC(=NN2C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-])O","XRMVGCUDTXEHCY-UHFFFAOYSA-N",367871,NA,"PDBC08154","638037","Present",NA,NA
+"8155","1-((4-Chlorophenoxy)acetyl)-3-(5-(hydroxy(oxido)amino)-2-furyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenoxy)-1-[5-hydroxy-3-(5-nitrofuran-2-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethanone",NA,"C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-]","LRCOUHYBNBBCLE-UHFFFAOYSA-N",367872,NA,"PDBC08155","638038","Present",NA,NA
+"8156","1-((4-Chlorophenoxy)acetyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4-Chlorophenoxy)acetyl)-5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-ol",NA,"COC1=CC=C(C=C1)C2=NN(C(C2)(C3=CC=C(C=C3)Cl)O)C(=O)COC4=CC=C(C=C4)Cl","RWMSKHGRJXBBCW-UHFFFAOYSA-N",367878,NA,"PDBC08156","638044","Present",NA,NA
+"8157","1-((4-Methoxyanilino)methyl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[(4-methoxyphenyl)amino]methyl}naphthalen-2-ol",NA,"COC1=CC=C(C=C1)NCC2=C(C=CC3=CC=CC=C32)O","IBZVGAKJSAZIAB-UHFFFAOYSA-N",240945,NA,"PDBC08157","47924","Present",NA,NA
+"8158","1-((4-Methyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4-Methyl-1-piperazinyl)acetyl)-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one",NA,"CN1CCN(CC1)CC(=O)N2CCCN3C2=NC4=CC=CC=C4C3=O","WIVUFSBFWPQXNR-UHFFFAOYSA-N",381982,NA,"PDBC08158","669302","Present",NA,NA
+"8159","1-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methyl)dihydro-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4-Methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methyl)dihydro-2,4(1H,3H)-pyrimidinedione",NA,"C=C1CC(OC1=O)(CN2CCC(=O)NC2=O)C3=CC=CC=C3","JITKJNUOLGTHNO-UHFFFAOYSA-N",381497,NA,"PDBC08159","668253","Present",NA,NA
+"8160","1-((4-Methylphenoxy)acetyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4-Methylphenoxy)acetyl)-3,5-diphenyl-4,5-dihydro-1H-pyrazol-5-ol",NA,"CC1=CC=C(C=C1)OCC(=O)N2C(CC(=N2)C3=CC=CC=C3)(C4=CC=CC=C4)O","PLULRZFASRFLPP-UHFFFAOYSA-N",367875,NA,"PDBC08160","638041","Present",NA,NA
+"8161","1-((4-Methylphenyl)azo)-2-naphthalenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCRIS 4005",NA,"CC1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O","JCZUIEHTNMQCRK-UHFFFAOYSA-N",97210,NA,"PDBC08161","106296","Present",NA,NA
+"8162","1-((4-Methylphenyl)sulfonyl)-1H-pyrrole-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4-Methylphenyl)sulfonyl)-1H-pyrrole-3,4-dicarbonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C#N)C#N","UDGASIFDGMETFZ-UHFFFAOYSA-N",386827,NA,"PDBC08162","679535","Present",NA,NA
+"8163","1-((4-Methylphenyl)sulfonyl)-2-(2-methyl-1-propenyl)-1,2,3,4-tetrahydroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((4-Methylphenyl)sulfonyl)-2-(2-methyl-1-propenyl)-1,2,3,4-tetrahydroquinoline",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C(CCC3=CC=CC=C32)C=C(C)C","DFGWDORZGHNHKH-UHFFFAOYSA-N",372862,NA,"PDBC08163","648552","Present",NA,NA
+"8164","1-((5-Iodonaphthalen-1-yl)sulfonyl)-1,4-diazepane hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Iodonaphthalene-1-sulfonyl)-1H-hexahydro-l,4-diazep...",NA,"C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I.Cl","KDDALCDYHZIZMH-UHFFFAOYSA-N",9803932,NA,"PDBC08164","734550","Present",NA,NA
+"8165","1-((Acetyl-2-methoxyanilino)methyl)-5-oxoproline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((Acetyl-2-methoxyanilino)methyl)-5-oxoproline",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC=CC=C2OC","JLYRNWXXTGYBJT-UHFFFAOYSA-N",389173,NA,"PDBC08165","684857","Present",NA,NA
+"8166","1-((Allyloxy)methyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((Allyloxy)methyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone",NA,"C=CCOCN1C=CC(=NC1=O)N","OJHJQBBTZLAIQR-UHFFFAOYSA-N",376603,NA,"PDBC08166","657614","Present",NA,NA
+"8167","1-((Allyloxy)methyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((Allyloxy)methyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione",NA,"C=CCOCN1C=C(C(=O)NC1=O)F","IGVGWTRNVDKCHA-UHFFFAOYSA-N",376600,NA,"PDBC08167","657611","Present",NA,NA
+"8168","1-((Allyloxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((Allyloxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione",NA,"CC1=CN(C(=O)NC1=O)COCC=C","TUVOGBMSIUAZMK-UHFFFAOYSA-N",376601,NA,"PDBC08168","657612","Present",NA,NA
+"8169","1-((Benzylamino)methyl)-2-naphthalenethiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((Benzylamino)methyl)-2-naphthalenethiol",NA,"C1=CC=C(C=C1)CNCC2=C(C=CC3=CC=CC=C32)S","BLEHTALMHJHORQ-UHFFFAOYSA-N",255831,NA,"PDBC08169","81747","Present",NA,NA
+"8170","1-((Cyano(ethylamino)methylene)amino)ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-cyano-N,N'-diethyl-formamidine",NA,"CCNC(=NCC)C#N","NHDDPLNHHZPNBD-UHFFFAOYSA-N",369711,NA,"PDBC08170","641764","Present",NA,NA
+"8171","1-((Diphenylphosphoryl)methyl)-3-methylpiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((Diphenylphosphoryl)methyl)-3-methylpiperidine",NA,NA,NA,NA,NA,"PDBC08171","201579","Present",NA,NA
+"8172","1-((Methyl(2-propynyl)amino)carbonyl)-2-oxo-1-(2-propynyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((Methyl(2-propynyl)amino)carbonyl)-2-oxo-1-(2-propynyl)hydrazine",NA,"CN(CC#C)C(=O)N(CC#C)N=O","ZCMYUJYDAHASLH-UHFFFAOYSA-N",366407,NA,"PDBC08172","634776","Present",NA,NA
+"8173","1-((Phenylsulfinyl)methyl)cyclohexanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((Phenylsulfinyl)methyl)cyclohexanol",NA,"C1CCC(CC1)(CS(=O)C2=CC=CC=C2)O","KVRLJSGGZODSGI-UHFFFAOYSA-N",380799,NA,"PDBC08173","666518","Present",NA,NA
+"8174","1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-hydroxy-2-methoxyethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)-2-hydroxy-2-methoxyethanone",NA,"COC(C(=O)C1=C2CCCC2=CC3=C1CCC3)O","INNTWKKPCYODLV-UHFFFAOYSA-N",382670,NA,"PDBC08174","670318","Present",NA,NA
+"8175","1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)ethanone",NA,"CC(=O)C1=C2CCCC2=CC3=C1CCC3","LXEFIXBOEISQEM-UHFFFAOYSA-N",382669,NA,"PDBC08175","670317","Present",NA,NA
+"8176","1-(1,2-Benzisothiazol-3-yl)-3-phenyl-1H-pyrazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,2-Benzisothiazol-3-yl)-3-phenyl-1H-pyrazol-5-amine",NA,"C1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NSC4=CC=CC=C43","SFFPLXCAHLNACT-UHFFFAOYSA-N",374737,NA,"PDBC08176","652929","Present",NA,NA
+"8177","1-(1,2-Benzothiazole-3-carbonylamino)-3-(4-methoxyphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,2-Benzothiazole-3-carbonylamino)-3-(4-methoxyphenyl)thiourea",NA,"COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=NSC3=CC=CC=C32","IYYFUMJXKUSRCA-UHFFFAOYSA-N",3004430,NA,"PDBC08177","652921","Present",NA,NA
+"8178","1-(1,2-Benzothiazole-3-carbonylamino)-3-ethyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,2-Benzothiazole-3-carbonylamino)-3-ethyl-thiourea",NA,"CCNC(=S)NNC(=O)C1=NSC2=CC=CC=C21","AOSIUPVZBRFSCU-UHFFFAOYSA-N",3004428,NA,"PDBC08178","652919","Present",NA,NA
+"8179","1-(1,2-Benzothiazole-3-carbonylamino)-3-phenyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,2-Benzothiazole-3-carbonylamino)-3-phenyl-thiourea",NA,"C1=CC=C(C=C1)NC(=S)NNC(=O)C2=NSC3=CC=CC=C32","OCKCEWFATKATKJ-UHFFFAOYSA-N",3004429,NA,"PDBC08179","652920","Present",NA,NA
+"8180","1-(1,2-Diphenylvinyl)-2-methyl-3,5-pyrazolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,2-Diphenylvinyl)-2-methyl-3,5-pyrazolidinedione",NA,"CN1C(=O)CC(=O)N1C(=CC2=CC=CC=C2)C3=CC=CC=C3","JKSWGDKENWSXIF-FOWTUZBSSA-N",5469827,NA,"PDBC08180","693121","Present",NA,NA
+"8181","1-(1,2-Diphenylvinyl)-2-phenyl-3,5-pyrazolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,2-Diphenylvinyl)-2-phenyl-3,5-pyrazolidinedione",NA,"C1C(=O)N(N(C1=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","CJSGWAAGUVCPFG-LTGZKZEYSA-N",5469828,NA,"PDBC08181","693122","Present",NA,NA
+"8182","1-(1,3-Benzodioxol-5-yl(1-piperazinyl)methyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(benzo[d][1,3]dioxol-5-ylmethylene)dipiperazine",NA,"C1CN(CCN1)C(C2=CC3=C(C=C2)OCO3)N4CCNCC4","ASZPIRKUABZLDL-UHFFFAOYSA-N",258237,NA,"PDBC08182","87015","Present",NA,NA
+"8183","1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)ethanone",NA,"COC1=CC(=CC(=C1OC)OC)CC(=O)C2=CC3=C(C=C2)OCO3","SINXJNIEDLFUNK-UHFFFAOYSA-N",372802,NA,"PDBC08183","648425","Present",NA,NA
+"8184","1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)vinyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)vinyl acetate",NA,"CC(=O)OC(=CC1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2)OCO3","HKWGPTPTKNBQTE-APSNUPSMSA-N",5351401,NA,"PDBC08184","647363","Present",NA,NA
+"8185","1-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-(2-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-(2-thienyl)-1,4-butanedione",NA,"COC1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)C(=O)C3=CC4=C(C=C3)OCO4","PGAPSTGWAGXOEO-UHFFFAOYSA-N",376698,NA,"PDBC08185","657741","Present",NA,NA
+"8186","1-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-phenyl-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzodioxol-5-yl)-2-(4-methoxyphenyl)-4-phenyl-1,4-butanedione",NA,"COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)OCO4","VMTBBWQKJFXMKH-UHFFFAOYSA-N",376696,NA,"PDBC08186","657739","Present",NA,NA
+"8187","1-(1,3-Benzodioxol-5-yl)-2-(diphenylphosphoryl)-2-methoxyethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzodioxol-5-yl)-2-(diphenylphosphoryl)-2-methoxyethanol",NA,"COC(C(C1=CC2=C(C=C1)OCO2)O)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","KDRQDHKZFXFOJE-UHFFFAOYSA-N",357966,NA,"PDBC08187","617641","Present",NA,NA
+"8188","1-(1,3-Benzodioxol-5-yl)-2-bromopropyl isobutyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzodioxol-5-yl)-2-bromopropyl isobutyl ether",NA,"CC(C)COC(C1=CC2=C(C=C1)OCO2)C(C)Br","ZLVMDWQCFMCCCO-UHFFFAOYSA-N",304217,NA,"PDBC08188","195151","Present",NA,NA
+"8189","1-(1,3-Benzodioxol-5-ylcarbonyl)-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzodioxol-5-ylcarbonyl)-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,"CN1CCC2=CC=CC=C2C(C1=O)C(=O)C3=CC4=C(C=C3)OCO4","CCEQGQMFWHEXBN-UHFFFAOYSA-N",368732,NA,"PDBC08189","639865","Present",NA,NA
+"8190","1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzodioxol-5-ylmethyl)-2-pyrrolidinecarboxamide",NA,"C1CC(N(C1)CC2=CC3=C(C=C2)OCO3)C(=O)N","WIPQZIQVKUKTSH-UHFFFAOYSA-N",269006,NA,"PDBC08190","109526","Present",NA,NA
+"8191","1-(1,3-Benzothiazol-2-yl)-3-(2-chloro-4-nitrophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzothiazol-2-yl)-3-(2-chloro-4-nitrophenyl)urea",NA,"C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Cl","BWAZHNWZEVIGBV-UHFFFAOYSA-N",332430,NA,"PDBC08191","329250","Present",NA,NA
+"8192","1-(1,3-Benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzo[d]thiazol-2-yl)-3-(4-chloro-3-nitrophenyl)urea",NA,"C1=CC=C2C(=C1)N=C(S2)NC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]","JOTYYZZVRLAFOZ-UHFFFAOYSA-N",332429,NA,"PDBC08192","329249","Present",NA,NA
+"8193","1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-8-(4-sulfophenyl)-1,7,8-triazaspiro[3.4]oct-6-ene-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-8-(4-sulfophenyl)-1,7,8-triazaspiro[3.4]oct-6-ene-6-carboxylic acid",NA,"C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)S(=O)(=O)O)C(=O)O","QQIYXSQDGMFMHN-UHFFFAOYSA-N",397246,NA,"PDBC08193","704663","Present",NA,NA
+"8194","1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-8-phenyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzothiazol-2-yl)-3-chloro-7-methyl-5-phenyl-1,5,6-triazaspiro[3.4]oct-6-en-2-one",NA,"CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=CC=C5","BARPPGCSDZGDGV-UHFFFAOYSA-N",397242,NA,"PDBC08194","704659","Present",NA,NA
+"8195","1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(2-chlorophenyl)-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzothiazol-2-yl)-3-chloro-5-(2-chlorophenyl)-7-methyl-1,5,6-triazaspiro[3.4]oct-6-en-2-one",NA,"CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=CC=C5Cl","VZGYBNUVGMPAAN-UHFFFAOYSA-N",397243,NA,"PDBC08195","704660","Present",NA,NA
+"8196","1-(1,3-Benzothiazol-2-yl)-3-chloro-8-(3-chlorophenyl)-6-methyl-1,7,8-triazaspiro[3.4]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzothiazol-2-yl)-3-chloro-5-(3-chlorophenyl)-7-methyl-1,5,6-triazaspiro[3.4]oct-6-en-2-one",NA,"CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)Cl","KZVZKDRFTHKMJB-UHFFFAOYSA-N",397244,NA,"PDBC08196","704661","Present",NA,NA
+"8197","1-(1,3-Benzothiazol-2-yl)-4-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzothiazol-2-yl)-4-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetrone",NA,"CCC1=C(C(=CC=C1)C(C)C)C2C(=O)C(=O)N(C(=O)C2=O)C3=NC4=CC=CC=C4S3","WEWLWFVWKRAFFK-UHFFFAOYSA-N",360287,NA,"PDBC08197","622321","Present",NA,NA
+"8198","1-(1,3-Dimethyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-5-ium-7-yl)-3-(2,6-dimethyl-5-oxo-3-thioxo-1,2,4-triazin-4-yl)-1,2-bis(4-methoxyphenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-N'-(2,6-Dimethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-4-yl)-N-(1,3-dimethyl-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-1-ium-7-yl)-N-(4-methoxyphenyl)carbamimidoyl]-(4-methoxyphenyl)azanide",NA,"CC1=NN(C(=S)N(C1=O)N=C([N-]C2=CC=C(C=C2)OC)N(C3=CC=C(C=C3)OC)C4=NN5C(=O)C(=N[N+](=C5S4)C)C)C","KORMUPDUZFCIHV-UHFFFAOYSA-N",9571795,NA,"PDBC08198","655067","Present",NA,NA
+"8199","1-(1,3-Dithiolan-2-ylidene(2-(hydroxy(oxido)amino)-4,5-dimethoxyphenyl)methyl)-6,7-dimethoxyisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4,5-Dimethoxy-2-nitrophenyl)(1,3-dithiolan-2-ylidene)methyl]-6,7-dimethoxyisoquinoline",NA,"COC1=C(C=C2C(=C1)C=CN=C2C(=C3SCCS3)C4=CC(=C(C=C4[N+](=O)[O-])OC)OC)OC","YPMQCKVVHQNNBX-UHFFFAOYSA-N",363403,NA,"PDBC08199","628307","Present",NA,NA
+"8200","1-(1,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,4,6,7,12,12b-Hexahydroindolo[2,3-a]quinolizin-3-yl)ethanone",NA,"CC(=O)C1=CCC2C3=C(CCN2C1)C4=CC=CC=C4N3","ZDOXZXFUEQNHHH-UHFFFAOYSA-N",372788,NA,"PDBC08200","648411","Present",NA,NA
+"8201","1-(1,4-Dihydroxy-2-naphthyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-1,4-naphthalenediol",NA,"CC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O","CKLPUCARSNJTSJ-UHFFFAOYSA-N",269862,NA,"PDBC08201","111552","Present",NA,NA
+"8202","1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-[(2Z)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]-1-phenylethylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-[(2Z)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]-1-phenylethylidene]amino]thiourea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=CC(=NNC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C5=CC=CC=C5","FRJAFJHXGVVHLD-WGYWKGKLSA-N",9572077,NA,"PDBC08202","701205","Present",NA,NA
+"8203","1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-[(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]butan-2-ylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[(Z)-[(3Z)-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamothioylhydrazinylidene]butan-2-ylidene]amino]thiourea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN=C(C)C(=NNC(=S)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)C","SAINAHTYHABLKG-KUUUIRGPSA-N",6412588,NA,"PDBC08203","701204","Present",NA,NA
+"8204","1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(2-phenylethyl)cyclobutyl)ethanol",NA,"CC(C1(CC(C1)CCC2=CC=CC=C2)CNC3=CC(=NC(=N3)N)Cl)O","GOUZDMVNRVLFRO-UHFFFAOYSA-N",385234,NA,"PDBC08204","676347","Present",NA,NA
+"8205","1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)ethanol",NA,"CC(C1(CCC1)CNC2=CC(=NC(=N2)N)Cl)O","PSJGGLMTADMOKA-UHFFFAOYSA-N",385224,NA,"PDBC08205","676337","Present",NA,NA
+"8206","1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclohexyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclohexyl)ethanol",NA,"CC(C1(CCCCC1)CNC2=CC(=NC(=N2)N)Cl)O","WOYVBNQCCOUASJ-UHFFFAOYSA-N",385242,NA,"PDBC08206","676355","Present",NA,NA
+"8207","1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclopentyl)ethanol",NA,"CC(C1(CCCC1)CNC2=CC(=NC(=N2)N)Cl)O","LLMXWHVAWXXDQY-UHFFFAOYSA-N",385237,NA,"PDBC08207","676350","Present",NA,NA
+"8208","1-(1-((5-Oxo-4-phenyl-2,5-dihydro-3-furanyl)methyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-((5-Oxo-4-phenyl-2,5-dihydro-3-furanyl)methyl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one",NA,"C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=C(C(=O)OC4)C5=CC=CC=C5","BKVUTIBFSDLXMN-UHFFFAOYSA-N",380030,NA,"PDBC08208","665325","Present",NA,NA
+"8209","1-(1-(2-(2-Adamantyl(hydroxy)amino)-1-(hydroxymethyl)ethoxy)-2-hydroxyethyl)-5-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-[1-[2-Adamantyl(hydroxy)amino]-3-hydroxypropan-2-yl]oxy-2-hydroxyethyl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C(CO)OC(CN(C2C3CC4CC(C3)CC2C4)O)CO","NFEIVXOYPNOTID-UHFFFAOYSA-N",376227,NA,"PDBC08209","656907","Present",NA,NA
+"8210","1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-(Allyloxy)-1-methylethyl)-4-methyl-1-cyclohexene",NA,"CC1CCC(=CC1)C(C)(C)OCC=C","GZVCPWAZIZCHNK-UHFFFAOYSA-N",377298,NA,"PDBC08210","658700","Present",NA,NA
+"8211","1-(1-(Allyloxy)ethyl)-5-bromo-6-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-(Allyloxy)ethyl)-5-bromo-6-methyl-2,4(1H,3H)-pyrimidinedione",NA,"CC1=C(C(=O)NC(=O)N1C(C)OCC=C)Br","PKARWJLDVIHUAW-UHFFFAOYSA-N",374535,NA,"PDBC08211","652286","Present",NA,NA
+"8212","1-(1-(Benzylthio)-3,4,4-trichloro-2-(hydroxy(oxido)amino)-1,3-butadienyl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-(Benzylthio)-3,4,4-trichloro-2-(hydroxy(oxido)amino)-1,3-butadienyl)piperidine",NA,"C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SCC2=CC=CC=C2","JMPXJKIBJJUVFW-PEZBUJJGSA-N",1550320,NA,"PDBC08212","665098","Present",NA,NA
+"8213","1-(1-Acetyl-2-methoxyindol-3-yl)propan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Acetyl-2-methoxyindol-3-yl)propan-2-one",NA,"CC(=O)CC1=C(N(C2=CC=CC=C21)C(=O)C)OC","IGDRTSIELPLOTR-UHFFFAOYSA-N",360059,NA,"PDBC08213","621857","Present",NA,NA
+"8214","1-(1-Acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol",NA,"CC(=O)N1C(CC(=N1)C2=C(C=CC3=CC=CC=C32)O)C4=CC=C(C=C4)Cl","QPODRDQMOHSPOG-UHFFFAOYSA-N",390437,NA,"PDBC08214","687791","Present",NA,NA
+"8215","1-(1-Adamantyl)-2-(triphenylphosphoranylidene)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-2-(triphenylphosphoranylidene)ethanone",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","WQTBBVKWMRCLSL-UHFFFAOYSA-N",392841,NA,"PDBC08215","693853","Present",NA,NA
+"8216","1-(1-Adamantyl)-3-(1-benzylbenzimidazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-3-(1-benzylbenzimidazol-2-yl)urea",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=NC5=CC=CC=C5N4CC6=CC=CC=C6","SIPNTAMWRBIWNG-UHFFFAOYSA-N",374149,NA,"PDBC08216","651606","Present",NA,NA
+"8217","1-(1-Adamantyl)-3-(1-methylbenzimidazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-3-(1-methylbenzimidazol-2-yl)urea",NA,"CN1C2=CC=CC=C2N=C1NC(=O)NC34CC5CC(C3)CC(C5)C4","WNJDINHLNIXJFA-UHFFFAOYSA-N",374147,NA,"PDBC08217","651604","Present",NA,NA
+"8218","1-(1-Adamantyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-3-(4-piperidin-1-ylsulfonylphenyl)thiourea",NA,"C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4","DWHXZURMHPIMCI-UHFFFAOYSA-N",2803124,NA,"PDBC08218","247024","Present",NA,NA
+"8219","1-(1-Adamantyl)-3-(5-bromo-2-pyridyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N'-(5-bromo-2-pyridinyl)thiourea",NA,"C1C2CC3CC1CC(C2)(C3)NC(=S)NC4=NC=C(C=C4)Br","VRVPUNSAENPECC-UHFFFAOYSA-N",3005418,NA,"PDBC08219","698958","Present",NA,NA
+"8220","1-(1-Adamantyl)-3-(dimethylamino)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/40154719",NA,"CN(C)NC(=S)NC12CC3CC(C1)CC(C3)C2","FGGWOFOLYCLOBQ-UHFFFAOYSA-N",3004013,NA,"PDBC08220","622620","Present",NA,NA
+"8221","1-(1-Adamantyl)-3-(dimethylamino)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-3-(dimethylamino)urea",NA,"CN(C)NC(=O)NC12CC3CC(C1)CC(C3)C2","KWUVLQSOBDEUAK-UHFFFAOYSA-N",360491,NA,"PDBC08221","622625","Present",NA,NA
+"8222","1-(1-Adamantyl)-3-(isopropylideneamino)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-3-(isopropylideneamino)thiourea",NA,"CC(=NNC(=S)NC12CC3CC(C1)CC(C3)C2)C","OKSVYMPTOSFZBE-UHFFFAOYSA-N",3004015,NA,"PDBC08222","622623","Present",NA,NA
+"8223","1-(1-Adamantyl)-3-[(E)-(3,5-dichlorophenyl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-3-[(E)-(3,5-dichlorophenyl)methylideneamino]thiourea",NA,"C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC(=CC(=C4)Cl)Cl","ZRWPRNIYISSONX-UFFVCSGVSA-N",9556459,NA,"PDBC08223","121934","Present",NA,NA
+"8224","1-(1-Adamantyl)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-3-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]thiourea",NA,"C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=C(C=CC(=C4)Br)O","RXZXILJPDNVGLA-KEBDBYFISA-N",135478829,NA,"PDBC08224","121940","Present",NA,NA
+"8225","1-(1-Adamantyl)-3-[(E)-benzylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-3-[(E)-benzylideneamino]thiourea",NA,"C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC=CC=C4","BWRCFVJIJQGTIW-XDHOZWIPSA-N",9569873,NA,"PDBC08225","622624","Present",NA,NA
+"8226","1-(1-Adamantyl)-3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]urea",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)NC4=NC5=CC=CC=C5N4CC6=CC=C(C=C6)Cl","MBZUYEPZRNJIAJ-UHFFFAOYSA-N",374151,NA,"PDBC08226","651608","Present",NA,NA
+"8227","1-(1-Adamantyl)-3-[4-(3-ethoxy-1,2,4-triazol-1-yl)phenyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Adamantyl)-3-[4-(3-ethoxy-1,2,4-triazol-1-yl)phenyl]thiourea",NA,"CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC34CC5CC(C3)CC(C5)C4","KTWILMFWBAMWBU-UHFFFAOYSA-N",3001016,NA,"PDBC08227","656361","Present",NA,NA
+"8228","1-(1-Adamantyl)-3-ureido-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AUN113483",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)NNC(=O)N","IWFGIKJYJFKJHB-UHFFFAOYSA-N",360485,NA,"PDBC08228","622619","Present",NA,NA
+"8229","1-(1-Benzothien-3-yl)-3-(1-piperidinyl)-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Benzothien-3-yl)-3-(1-piperidinyl)-1-propanone",NA,"C1CCN(CC1)CCC(=O)C2=CSC3=CC=CC=C32","IVQOCTZDCXKGHW-UHFFFAOYSA-N",268638,NA,"PDBC08229","108944","Present",NA,NA
+"8230","1-(1-Benzothiophen-2-yl)-N,N-dibutylcyclohexan-1-amine;perchloric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Benzothiophen-2-yl)-N,N-dibutylcyclohexan-1-amine;perchloric acid",NA,"CCCCN(CCCC)C1(CCCCC1)C2=CC3=CC=CC=C3S2.OCl(=O)(=O)=O","OALPSPFXRQCQSZ-UHFFFAOYSA-N",24202599,NA,"PDBC08230","708079","Present",NA,NA
+"8231","1-(1-Benzothiophen-2-yl)-N,N-dimethylcyclohexan-1-amine;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Benzothiophen-2-yl)-N,N-dimethylcyclohexan-1-amine;(E)-but-2-enedioic acid",NA,"CN(C)C1(CCCCC1)C2=CC3=CC=CC=C3S2.C(=CC(=O)O)C(=O)O","QYKXDKSTFLPNKI-WLHGVMLRSA-N",5471069,NA,"PDBC08231","708081","Present",NA,NA
+"8232","1-(1-Benzothiophen-2-yl)-N-[2-(3,4-dichlorophenyl)ethyl]cyclohexan-1-amine;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Benzothiophen-2-yl)-N-[2-(3,4-dichlorophenyl)ethyl]cyclohexan-1-amine;(E)-but-2-enedioic acid",NA,"C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NCCC4=CC(=C(C=C4)Cl)Cl.C(=CC(=O)O)C(=O)O","PMBPYYZTPYWEAX-WLHGVMLRSA-N",5471067,NA,"PDBC08232","708078","Present",NA,NA
+"8233","1-(1-Benzothiophen-2-yl)-N-methylcyclohexan-1-amine;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Benzothiophen-2-yl)-N-methylcyclohexan-1-amine;(E)-but-2-enedioic acid",NA,"CNC1(CCCCC1)C2=CC3=CC=CC=C3S2.C(=CC(=O)O)C(=O)O","JFPAFVYNSFTGHK-WLHGVMLRSA-N",5471068,NA,"PDBC08233","708080","Present",NA,NA
+"8234","1-(1-Benzothiophen-2-yl)cycloheptan-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzothiophen-2-yl)cycloheptan-1-amine hydrochloride",NA,"C1CCCC(CC1)(C2=CC3=CC=CC=C3S2)N.Cl","AJPQFCQOIRYKFV-UHFFFAOYSA-N",398364,NA,"PDBC08234","708082","Present",NA,NA
+"8235","1-(1-Benzothiophen-2-yl)cyclopentan-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzothiophen-2-yl)cyclopentan-1-amine hydrochloride",NA,"C1CCC(C1)(C2=CC3=CC=CC=C3S2)N.Cl","BXLICONZMRVULE-UHFFFAOYSA-N",398375,NA,"PDBC08235","708089","Present",NA,NA
+"8236","1-(1-Benzoylpyrrolidin-2-yl)-2-diazo-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Benzoylpyrrolidin-2-yl)-2-diazonioethenolate",NA,"C1CC(N(C1)C(=O)C2=CC=CC=C2)C(=O)C=[N+]=[N-]","JSKFTTQKBUBZEA-UHFFFAOYSA-N",379174,NA,"PDBC08236","663586","Present",NA,NA
+"8237","1-(1-Benzyl-1H-indol-3-yl)-2-oxo-2-(1-piperidinyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Benzyl-1H-indol-3-yl)-2-oxo-2-(1-piperidinyl)ethanol",NA,"C1CCN(CC1)C(=O)C(C2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)O","JOBPVBRVGAXFPX-UHFFFAOYSA-N",363409,NA,"PDBC08237","628313","Present",NA,NA
+"8238","1-(1-Benzylethylidene)-3-thiosemicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625222",NA,"CC(=NNC(=S)N)CC1=CC=CC=C1","CAWKBLMEVRWTLR-XYOKQWHBSA-N",6104981,NA,"PDBC08238","625222","Present",NA,NA
+"8239","1-(1-Benzylpyridin-1-ium-3-yl)ethanol;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648080",NA,"CC(C1=C[N+](=CC=C1)CC2=CC=CC=C2)O.[Cl-]","VGJDDUJQULTWTH-UHFFFAOYSA-M",372631,NA,"PDBC08239","648080","Present",NA,NA
+"8240","1-(1-Chloro-1-phenylpropane-2-sulfinyl)-4-methylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Chloro-1-phenylpropane-2-sulfinyl)-4-methylbenzene",NA,"CC1=CC=C(C=C1)S(=O)C(C)C(C2=CC=CC=C2)Cl","GJQTXBIGYCOOQE-UHFFFAOYSA-N",320156,NA,"PDBC08240","266351","Present",NA,NA
+"8241","1-(1-Hydroxy-2-methylpropan-2-yl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxy-1,1-dimethyl-ethyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1h-pyridin-3-yl]urea",NA,"CC(C)(CO)NC(=O)NC1=C(C=C(NC1=O)C2=CC=CC=C2)C(F)(F)F","UOSSKVBRFUYJPQ-UHFFFAOYSA-N",397740,NA,"PDBC08241","706163","Present",NA,NA
+"8242","1-(1-Hydroxynaphthalen-2-yl)heptan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Hydroxynaphthalen-2-yl)heptan-1-one",NA,"CCCCCCC(=O)C1=C(C2=CC=CC=C2C=C1)O","UORFSHNNAGRJCM-UHFFFAOYSA-N",234660,NA,"PDBC08242","34949","Present",NA,NA
+"8243","1-(1-Hydroxynaphthalen-2-yl)pentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Hydroxynaphthalen-2-yl)pentan-1-one",NA,"CCCCC(=O)C1=C(C2=CC=CC=C2C=C1)O","HKLPRZFNZLIRFI-UHFFFAOYSA-N",234658,NA,"PDBC08243","34947","Present",NA,NA
+"8244","1-(1-Isoquinolinyl)-1-phenylethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Isoquinolinyl)-1-phenylethanol",NA,"CC(C1=CC=CC=C1)(C2=NC=CC3=CC=CC=C32)O","IOKVUHVEJQSUIE-UHFFFAOYSA-N",230491,NA,"PDBC08244","25431","Present",NA,NA
+"8245","1-(1-Methoxy-1-methylethyl)-4-methyl-1-cyclohexene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-methoxy-p-menth-3-ene",NA,"CC1CCC(=CC1)C(C)(C)OC","RSCHNGIUSXNPNV-UHFFFAOYSA-N",377296,NA,"PDBC08245","658698","Present",NA,NA
+"8246","1-(1-Methoxy-2-dimethylamino-3-phenyl-4-oxo-2-cyclobutenyl)-3,4-dihydroisoquinoline-2(1H)-carboxylic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 1-[2-(dimethylamino)-1-methoxy-4-oxo-3-phenylcyclobut-2-en-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate",NA,"CC(C)(C)OC(=O)N1CCC2=CC=CC=C2C1C3(C(=C(C3=O)C4=CC=CC=C4)N(C)C)OC","CFCIJWHBXHLKOF-UHFFFAOYSA-N",394530,NA,"PDBC08246","698075","Present",NA,NA
+"8247","1-(1-Methyl-1H-imidazol-2-yl)-2-phenyl-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Methyl-1H-imidazol-2-yl)-2-phenyl-2-propanol",NA,"CC(CC1=NC=CN1C)(C2=CC=CC=C2)O","NTGAQWUCYHPCTF-UHFFFAOYSA-N",304310,NA,"PDBC08247","195950","Present",NA,NA
+"8248","1-(1-Methyl-4-phenyl-4-azepanyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azacycloheptane, 4-acetyl-1-methyl-4-phenyl, hydrate [10:1]",NA,"CC(=O)C1(CCCN(CC1)C)C2=CC=CC=C2","VSAAQIAFGFUKFJ-UHFFFAOYSA-N",362090,NA,"PDBC08248","625618","Present",NA,NA
+"8249","1-(1-Methyl-4-phenyl-4-piperidinyl)-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Methyl-4-phenyl-4-piperidinyl)-1-propanone",NA,"CCC(=O)C1(CCN(CC1)C)C2=CC=CC=C2","MZCGFXHPRWDPSM-UHFFFAOYSA-N",343894,NA,"PDBC08249","400477","Present",NA,NA
+"8250","1-(1-Methylindol-3-yl)-2-pyridin-1-ium-1-ylethanone;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(1-Methyl-1H-indol-3-yl)-2-oxoethyl]pyridinium iodide",NA,"CN1C=C(C2=CC=CC=C21)C(=O)C[N+]3=CC=CC=C3.[I-]","IZCLUFZNHLNGHG-UHFFFAOYSA-M",372086,NA,"PDBC08250","646964","Present",NA,NA
+"8251","1-(1-Naphthylmethyl)-4-[1-(1-naphthylmethyl)-4-piperidyl]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Naphthylmethyl)-4-[1-(1-naphthylmethyl)-4-piperidyl]piperidine",NA,"C1CN(CCC1C2CCN(CC2)CC3=CC=CC4=CC=CC=C43)CC5=CC=CC6=CC=CC=C65","NMZQKJNXVWZWES-UHFFFAOYSA-N",364095,NA,"PDBC08251","629736","Present",NA,NA
+"8252","1-(1-Naphthylmethylene)-4-(1-naphthyl)semicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Naphthylmethylene)-4-(1-naphthyl)semicarbazide",NA,"C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)NC3=CC=CC4=CC=CC=C43","KCIYPIOXTPXJDX-HAHDFKILSA-N",5859414,NA,"PDBC08252","680931","Present",NA,NA
+"8253","1-(1-Naphthylmethylene)-4-[3-(dimethylamino)propyl]semicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Naphthylmethylene)-4-[3-(dimethylamino)propyl]semicarbazide",NA,"CN(C)CCCNC(=O)NN=CC1=CC=CC2=CC=CC=C21","NFKUNAGXQKWESX-UYRXBGFRSA-N",5744459,NA,"PDBC08253","662263","Present",NA,NA
+"8254","1-(1-Naphthylmethylene)-4-phenylsemicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Naphthylmethylene)-4-phenylsemicarbazide",NA,"C1=CC=C(C=C1)NC(=O)NN=CC2=CC=CC3=CC=CC=C32","GQWOEGOKMIPXJO-UYRXBGFRSA-N",5411004,NA,"PDBC08254","671925","Present",NA,NA
+"8255","1-(1-Phenylpyrrolidin-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Phenyl-3-pyrrolidinyl)ethanone",NA,"CC(=O)C1CCN(C1)C2=CC=CC=C2","JEXPPVCJAPFMKH-UHFFFAOYSA-N",357953,NA,"PDBC08255","617626","Present",NA,NA
+"8256","1-(1-Propylbenzimidazol-2-yl)-N,N-bis[(1-propylbenzimidazol-2-yl)methyl]methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Propylbenzimidazol-2-yl)-N,N-bis[(1-propylbenzimidazol-2-yl)methyl]methanamine",NA,"CCCN1C2=CC=CC=C2N=C1CN(CC3=NC4=CC=CC=C4N3CCC)CC5=NC6=CC=CC=C6N5CCC","KIHQMDIBTPBWQM-UHFFFAOYSA-N",402477,NA,"PDBC08256","716501","Present",NA,NA
+"8257","1-(1-Tert-butylazetidin-2-yl)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Tert-butylazetidin-2-yl)methanamine",NA,"CC(C)(C)N1CCC1CN","FPTNQKRYZXLXLB-UHFFFAOYSA-N",282395,NA,"PDBC08257","135857","Present",NA,NA
+"8258","1-(10,10-Dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-3-trimethylsilylbutan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(10,10-Dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)-3-trimethylsilylbutan-1-one",NA,"CC(CC(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O)[Si](C)(C)C","PGWOBVRIBXLYFJ-UHFFFAOYSA-N",385581,NA,"PDBC08258","676874","Present",NA,NA
+"8259","1-(10,13-Dioxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-yl)-N,N-dimethylmethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664692///NSC664693",NA,"CN(C)CC1COC2CC3=CC=CC=C3C1O2.Cl","UUIYWFKSWZMKCG-UHFFFAOYSA-N",379717,NA,"PDBC08259","664692///664693","Present",NA,NA
+"8260","1-(10H-Phenothiazin-10-yl)-2-propanol methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(10H-Phenothiazin-10-yl)-2-propanol methanesulfonate",NA,"CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)O.CS(=O)(=O)O","CCXJLCOYRRSRBF-UHFFFAOYSA-N",377557,NA,"PDBC08260","659125","Present",NA,NA
+"8261","1-(12h-Benzo[a]phenoxazin-12-yl)-2-chloroethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(12h-Benzo[a]phenoxazin-12-yl)-2-chloroethanone",NA,"C1=CC=C2C(=C1)C=CC3=C2N(C4=CC=CC=C4O3)C(=O)CCl","FNYDMTZOMCTUJV-UHFFFAOYSA-N",247104,NA,"PDBC08261","60898","Present",NA,NA
+"8262","1-(13-Sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(13-Sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperidine",NA,"C1CCN(CC1)P2(=S)OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65","USTFXPGEYDKDOL-UHFFFAOYSA-N",360390,NA,"PDBC08262","622455","Present",NA,NA
+"8263","1-(1H-Benzimidazol-2-yl)-3,5,5-trimethylimidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-Benzimidazol-2-yl)-3,5,5-trimethylimidazolidine-2,4-dione",NA,"CC1(C(=O)N(C(=O)N1C2=NC3=CC=CC=C3N2)C)C","RPSKTZSRNVEYPJ-UHFFFAOYSA-N",369157,NA,"PDBC08263","640746","Present",NA,NA
+"8264","1-(1H-Benzimidazol-2-yl)-5,5-dimethyl-3-phenylimidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-Benzimidazol-2-yl)-5,5-dimethyl-3-phenylimidazolidine-2,4-dione",NA,"CC1(C(=O)N(C(=O)N1C2=NC3=CC=CC=C3N2)C4=CC=CC=C4)C","WNQWEAMLJSESSR-UHFFFAOYSA-N",370573,NA,"PDBC08264","643818","Present",NA,NA
+"8265","1-(1H-Benzotriazol-1-yl)-2-(diphenylamino)-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-Benzotriazol-1-yl)-2-(diphenylamino)propan-1-one",NA,"CC(C(=O)N1C2=CC=CC=C2N=N1)N(C3=CC=CC=C3)C4=CC=CC=C4","LRFFERGRTBINMU-UHFFFAOYSA-N",375093,NA,"PDBC08265","654106","Present",NA,NA
+"8266","1-(1H-Benzotriazol-1-yl)-2-(diphenylamino)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-Benzotriazol-1-yl)-2-(diphenylamino)ethanone",NA,"C1=CC=C(C=C1)N(CC(=O)N2C3=CC=CC=C3N=N2)C4=CC=CC=C4","ZDNPIBGXEWTIJR-UHFFFAOYSA-N",375092,NA,"PDBC08266","654105","Present",NA,NA
+"8267","1-(1H-Indazol-3-yl)-1,3-dihydro-benzoimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-indazol-3-yl)-1,3-dihydro-benzoimidazol-2-one",NA,"C1=CC=C2C(=C1)C(=NN2)N3C4=CC=CC=C4NC3=O","GOVWKHQAFOWYCU-UHFFFAOYSA-N",23279830,NA,"PDBC08267","741615","Present",NA,NA
+"8268","1-(1H-Indazol-3-yl)-3-(4-methoxyphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea",NA,"COC1=CC=C(C=C1)NC(=O)NC2=NNC3=CC=CC=C32","RUUAKWKBFMFTBO-UHFFFAOYSA-N",25197519,NA,"PDBC08268","742798","Present",NA,NA
+"8269","1-(1H-Indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-indazol-3-yl)-3-[2-(trifluoromethoxy)phenyl]urea",NA,"C1=CC=C2C(=C1)C(=NN2)NC(=O)NC3=CC=CC=C3OC(F)(F)F","LFHBWBDLAQDCMK-UHFFFAOYSA-N",25197926,NA,"PDBC08269","742797","Present",NA,NA
+"8270","1-(1H-Indol-3-ylacetyl)-2-piperidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-Indol-3-ylacetyl)-2-piperidinecarboxylic acid",NA,"C1CCN(C(C1)C(=O)O)C(=O)CC2=CNC3=CC=CC=C32","ZZOITYJHNASTDK-UHFFFAOYSA-N",396992,NA,"PDBC08270","704229","Present",NA,NA
+"8271","1-(1H-Indol-3-ylmethyl)proline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_006803",NA,"C1CC(N(C1)CC2=CNC3=CC=CC=C32)C(=O)O","RWRSTSPQXGSPJT-UHFFFAOYSA-N",264622,NA,"PDBC08271","99785","Present",NA,NA
+"8272","1-(1H-Tetrazol-5-yl)pentane-1,2,3,4,5-pentol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[D-gluco-pentitol-1-yl]tetrazole///5-[D-manno-pentitol-1-yl]tetrazole",NA,"C(C(C(C(C(C1=NNN=N1)O)O)O)O)O","VPUGXNYOCIAXLS-UHFFFAOYSA-N",329517,NA,"PDBC08272","624279///624280","Present",NA,NA
+"8273","1-(1H-[1]Benzothieno[3,2-b]pyrrol-2-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-[1]Benzothieno[3,2-b]pyrrol-2-yl)ethanone",NA,"CC(=O)C1=CC2=C(N1)C3=CC=CC=C3S2","SFXNENCYXAEMQS-UHFFFAOYSA-N",392642,NA,"PDBC08273","693221","Present",NA,NA
+"8274","1-(2'-Deoxy-2'-fluoro-D-arabinofuranosyl)-1,2-pyrimidine-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2'-Deoxy-2'-fluoro-D-arabinofuranosyl)- 1,2-pyrimidin...///1-(2-Deoxy-2-fluoro-.alpha.-D-arabinofuranosyl)-1,2- pyr...",NA,"C1=CN(C(=O)N=C1)C2C(C(C(O2)CO)O)F","WQIKHPATWLOZFO-UHFFFAOYSA-N",361920,NA,"PDBC08274","625355///625772","Present",NA,NA
+"8275","1-(2'6'-Difluorobenzoyl)-3-[3'-(5''-chloro-2''-Pyrimidinyloxy)phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2'6'-difluorobenzoyl)-3-[3'-(5''-chloro-2''-Pyrimidin...",NA,"C1=CC(=CC(=C1)OC2=NC=C(C=N2)Cl)NC(=O)NC(=O)C3=C(C=CC=C3F)F","OURVGFASBSXJLK-UHFFFAOYSA-N",353513,NA,"PDBC08275","602022","Present",NA,NA
+"8276","1-(2, Phosphoric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,8 -is(trifluoromethyl)quinolin-4-yl)-3-(tert-butyla...",NA,"CC(C)(C)NCCC(C1=CC(=NC2=C1C=CC=C2C(F)(F)F)C(F)(F)F)O.OP(=O)(O)O","VJZWDKXYFVTRRS-UHFFFAOYSA-N",328154,NA,"PDBC08276","305819","Present",NA,NA
+"8277","1-(2,2,4,4-Tetraisopropyl-9-(phenylseleno)tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uridine, 3',5'-O,O'-[oxybis[bis(1-methylethyl)silyl]- 2'...",NA,"CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=O)NC3=O)[Se]C4=CC=CC=C4)O[Si](O1)(C(C)C)C(C)C)C(C)C","YSAXPVLTIPIEPT-UHFFFAOYSA-N",387259,NA,"PDBC08277","680840","Present",NA,NA
+"8278","1-(2,2,6,6-Tetramethyl-dihydro-furo[2,3-d",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-d']bis[1,3]dioxol-3a-yl)-propan-1-one",NA,"CCC(=O)C12C(C3C(O1)OC(O3)(C)C)OC(O2)(C)C","NPPQISHKOLPBOC-UHFFFAOYSA-N",361363,NA,"PDBC08278","624389","Present",NA,NA
+"8279","1-(2,2-Bis(methylsulfonyl)vinyl)-2-chlorobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664334",NA,"CS(=O)(=O)C(=CC1=CC=CC=C1Cl)S(=O)(=O)C","GQHXBWDUVIQEHA-UHFFFAOYSA-N",299601,NA,"PDBC08279","664334","Present",NA,NA
+"8280","1-(2,2-Dicyanovinyl)-3-[4-(thiazol-2-ylsulfamoyl)phenyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,2-Dicyanovinyl)-3-[4-(thiazol-2-ylsulfamoyl)phenyl]thiourea",NA,"C1=CC(=CC=C1NC(=S)NC=C(C#N)C#N)S(=O)(=O)NC2=NC=CS2","XWFGWXQZUMVIJX-UHFFFAOYSA-N",3000878,NA,"PDBC08280","658323","Present",NA,NA
+"8281","1-(2,2-Diethoxyethyl)-3-dodecylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-159770",NA,"CCCCCCCCCCCCNC(=O)NCC(OCC)OCC","QACMUCLEWICCOW-UHFFFAOYSA-N",377634,NA,"PDBC08281","659213","Present",NA,NA
+"8282","1-(2,2-Dimethylcyclohexyl)-6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)-1-hexen-3-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,4Z)-6-(2,2-Dimethylcyclohexyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]-1,1,1-trifluoro-2-(trifluoromethyl)hex-5-en-2-ol",NA,"CC1(CCCCC1C=CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(C(F)(F)F)(C(F)(F)F)O)C","IVIYVFDVKAIWGC-UBSQDUIPSA-N",5807779,NA,"PDBC08282","664343","Present",NA,NA
+"8283","1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-2,3-dihydro-1H-indol-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-2,3-dihydro-1H-indol-5-yl acetate",NA,"CC1=CC2=C(C(=C1OC(=O)C)C)C(CN2C(=O)C(C)(C)C)(C)C","RIHNNHDYYBINAD-UHFFFAOYSA-N",382328,NA,"PDBC08283","669797","Present",NA,NA
+"8284","1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-5-indolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,2-Dimethylpropanoyl)-3,3,4,6-tetramethyl-5-indolinol",NA,"CC1=CC2=C(C(=C1O)C)C(CN2C(=O)C(C)(C)C)(C)C","FXWDWMOUPSIZLD-UHFFFAOYSA-N",382329,NA,"PDBC08284","669798","Present",NA,NA
+"8285","1-(2,2-Dimethylpropanoyl)-3,4,6,7-tetramethyl-1H-indol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,2-Dimethylpropanoyl)-3,4,6,7-tetramethyl-1H-indol-5-ol",NA,"CC1=CN(C2=C1C(=C(C(=C2C)C)O)C)C(=O)C(C)(C)C","DRWPEPWTQYJGTN-UHFFFAOYSA-N",382331,NA,"PDBC08285","669800","Present",NA,NA
+"8286","1-(2,2-Dimethylpropyl)-3-[(4-phenyltriazol-1-yl)methyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,2-Dimethylpropyl)-3-[(4-phenyltriazol-1-yl)methyl]urea",NA,"CC(C)(C)CNC(=O)NCN1C=C(N=N1)C2=CC=CC=C2","UVLUOEYKCOENGY-UHFFFAOYSA-N",386630,NA,"PDBC08286","679084","Present",NA,NA
+"8287","1-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3,4,5,6-Pentafluorobenzoyl)-1,3-dihydro-2H-benzimidazol-2-one",NA,"C1=CC=C2C(=C1)NC(=O)N2C(=O)C3=C(C(=C(C(=C3F)F)F)F)F","PGTWONJBDFEPBE-UHFFFAOYSA-N",383503,NA,"PDBC08287","671888","Present",NA,NA
+"8288","1-(2,3,4,5,6-Pentafluorophenyl)-1,2-diphenyl-1,2-hexanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3,4,5,6-Pentafluorophenyl)-1,2-diphenyl-1,2-hexanediol",NA,"CCCCC(C1=CC=CC=C1)(C(C2=CC=CC=C2)(C3=C(C(=C(C(=C3F)F)F)F)F)O)O","HTVPDYDMQDWRDO-UHFFFAOYSA-N",376270,NA,"PDBC08288","656977","Present",NA,NA
+"8289","1-(2,3,4-Tri-o-acetylpentopyranosyl)-2,3-dihydro-1h-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649072///NSC649157",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2CCC3=CC=CC=C32","ISGJRBJTSWZLTA-UHFFFAOYSA-N",373130,NA,"PDBC08289","649072///649157","Present",NA,NA
+"8290","1-(2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]naphthalen-4-yl)-2-hydroxy-2-methoxyethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3,5,6,7,8-Hexahydro-1H-cyclopenta[b]naphthalen-4-yl)-2-hydroxy-2-methoxyethanone",NA,"COC(C(=O)C1=C2CCCCC2=CC3=C1CCC3)O","AUUXUCBGHPMKOM-UHFFFAOYSA-N",382666,NA,"PDBC08290","670314","Present",NA,NA
+"8291","1-(2,3-Dichloro-4,6-disulfamoylphenyl)-3-(3,4-dichlorophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5,6-Dichloro-2,4-disulfamoylphenyl)-3-(3,4-dichlorophenyl)urea",NA,"C1=CC(=C(C=C1NC(=O)NC2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl)Cl)Cl)Cl","JTAPTZHOGDIFQE-UHFFFAOYSA-N",396507,NA,"PDBC08291","702692","Present",NA,NA
+"8292","1-(2,3-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C(=CC=C4)Cl)Cl","LYYXOZRAOOIZED-UHFFFAOYSA-N",362002,NA,"PDBC08292","625481","Present",NA,NA
+"8293","1-(2,3-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C(=CC=C4)F)F","NMLUJMIARWELJM-UHFFFAOYSA-N",362005,NA,"PDBC08293","625484","Present",NA,NA
+"8294","1-(2,3-Dihydroxybenzyl)-2-(2,3-dihydroxyphenyl)-1H-benzoimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3-dihidroxybenzyl)-2-(2,3-dihydroxyphenyl)-benzimid...",NA,"C1=CC=C2C(=C1)N=C(N2CC3=C(C(=CC=C3)O)O)C4=C(C(=CC=C4)O)O","WMSBOLVSPZBVFF-UHFFFAOYSA-N",135585440,NA,"PDBC08294","728196","Present",NA,NA
+"8295","1-(2,3-Dimethoxybenzoyl)-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3-Dimethoxybenzoyl)-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,"CN1CCC2=CC=CC=C2C(C1=O)C(=O)C3=C(C(=CC=C3)OC)OC","HJYDWTPCWUUMKO-UHFFFAOYSA-N",368733,NA,"PDBC08295","639866","Present",NA,NA
+"8296","1-(2,3-Dimethoxybenzoyl)-7,8-dimethoxy-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3-Dimethoxybenzoyl)-7,8-dimethoxy-3-methyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,"CN1CCC2=CC(=C(C=C2C(C1=O)C(=O)C3=C(C(=CC=C3)OC)OC)OC)OC","IQEXAOHIJTWUEL-UHFFFAOYSA-N",368731,NA,"PDBC08296","639864","Present",NA,NA
+"8297","1-(2,3-Dimethoxybenzoyl)indoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3-Dimethoxybenzoyl)indoline",NA,"COC1=CC=CC(=C1OC)C(=O)N2CCC3=CC=CC=C32","AWLWIOHTOUQMTJ-UHFFFAOYSA-N",362988,NA,"PDBC08297","627516","Present",NA,NA
+"8298","1-(2,4,4-Trichloro-but-3-en-1-o ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-dichloro-5-methylphenyl)-3,4,4-trichloro-but-3-en...",NA,"CC1=CC(=C(C=C1Cl)Cl)C(=O)CC(=C(Cl)Cl)Cl","OHNAYKGHCPWPME-UHFFFAOYSA-N",405827,NA,"PDBC08298","723514","Present",NA,NA
+"8299","1-(2,4,6-Trihydroxyphenyl)dodecane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VWQIMTPOWSXEQL-UHFFFAOYSA-N",NA,"CCCCCCCCCC(=O)CC(=O)C1=C(C=C(C=C1O)O)O","VWQIMTPOWSXEQL-UHFFFAOYSA-N",389030,NA,"PDBC08299","684576","Present",NA,NA
+"8300","1-(2,4-Dichloro-phenyl)-3-[4-(3-trifluoromethyl-phenyl)-pipe razin-1-yl]-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichloro-phenyl)-3-[4-(3-trifluoromethyl-phenyl)-...",NA,"C1CN(CCN1C=CC(=O)C2=C(C=C(C=C2)Cl)Cl)C3=CC=CC(=C3)C(F)(F)F","SLYVPOZHJCOETN-VOTSOKGWSA-N",5473323,NA,"PDBC08300","725060","Present",NA,NA
+"8301","1-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile",NA,"CC1=CC2=C(C(=C1C)C#N)N(N=C2C)CC3=C(C=C(C=C3)Cl)Cl","VPIYJNUXQLMYJP-UHFFFAOYSA-N",367589,NA,"PDBC08301","637421","Present",NA,NA
+"8302","1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-(1H-1,2,4-triazol-1-ylmethyl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-(1H-1,2,4-triazol-1-ylmethyl)ethyl acetate",NA,"CC(=O)OC(CN1C=NC=N1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl","GIJAQKGBIJOEMS-UHFFFAOYSA-N",377231,NA,"PDBC08302","658472","Present",NA,NA
+"8303","1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-1-(1H-1,2,4-triazol-1-ylmethyl)ethyl dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(2,4-Dichlorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-yl] N,N-dimethylcarbamate",NA,"CN(C)C(=O)OC(CN1C=NC=N1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl","ZPOAKKSWKCIORL-UHFFFAOYSA-N",377232,NA,"PDBC08303","658473","Present",NA,NA
+"8304","1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl dimethylcarbamate",NA,"CN(C)C(=O)OC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl","YALBRKSKLNWHRS-UHFFFAOYSA-N",368168,NA,"PDBC08304","638586","Present",NA,NA
+"8305","1-(2,4-Dichlorophenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichlorophenyl)-3,3a-dihydropyrrolo[3,2-b][1,4]benzothiazin-2(1H)-one",NA,"C1C2C(=NC3=CC=CC=C3S2)N(C1=O)C4=C(C=C(C=C4)Cl)Cl","AEZSWNUDTXEHKB-UHFFFAOYSA-N",365147,NA,"PDBC08305","632248","Present",NA,NA
+"8306","1-(2,4-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=C(C=C4)Cl)Cl","HXSGDSWWWGAFBV-UHFFFAOYSA-N",362001,NA,"PDBC08306","625480","Present",NA,NA
+"8307","1-(2,4-Dichlorophenyl)-4-methylpent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichlorophenyl)-4-methylpent-1-en-3-one",NA,"CC(C)C(=O)C=CC1=C(C=C(C=C1)Cl)Cl","WNKJKMDXSFFUMM-GQCTYLIASA-N",5906743,NA,"PDBC08307","669738","Present",NA,NA
+"8308","1-(2,4-Dichlorophenyl)-N-[2-[2-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]ethyl-methylamino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichlorophenyl)-N-[2-[2-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]ethyl-methylamino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,"CN(CCNC(=O)C1=NN(C2=C1CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)CCNC(=O)C5=NN(C6=C5CC7=CC=CC=C76)C8=C(C=C(C=C8)Cl)Cl","PVIPVMAFOPCNHR-UHFFFAOYSA-N",399548,NA,"PDBC08308","710412","Present",NA,NA
+"8309","1-(2,4-Dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]propyl-methylamino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)-4H-indeno[1,2-c]pyrazole-3-carbonyl]amino]propyl-methylamino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,"CN(CCCNC(=O)C1=NN(C2=C1CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)CCCNC(=O)C5=NN(C6=C5CC7=CC=CC=C76)C8=C(C=C(C=C8)Cl)Cl","QVFFQVGESPHDCZ-UHFFFAOYSA-N",399551,NA,"PDBC08309","710415","Present",NA,NA
+"8310","1-(2,4-Dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)benzo[g]indazole-3-carbonyl]amino]propyl-methylamino]propyl]benzo[g]indazole-3-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dichlorophenyl)-N-[3-[3-[[1-(2,4-dichlorophenyl)benzo[g]indazole-3-carbonyl]amino]propyl-methylamino]propyl]benzo[g]indazole-3-carboxamide;hydrochloride",NA,"CN(CCCNC(=O)C1=NN(C2=C1C=CC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl)CCCNC(=O)C5=NN(C6=C5C=CC7=CC=CC=C76)C8=C(C=C(C=C8)Cl)Cl.Cl","MNWMXZCFRBADSG-UHFFFAOYSA-N",402070,NA,"PDBC08310","715766","Present",NA,NA
+"8311","1-(2,4-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=C(C=C4)F)F","BPINTACQFVWBBA-UHFFFAOYSA-N",362006,NA,"PDBC08311","625485","Present",NA,NA
+"8312","1-(2,4-Dihydroxyphenyl)-1,3-dodecanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZYOCOAHYGMHHQS-UHFFFAOYSA-N",NA,"CCCCCCCCCC(=O)CC(=O)C1=C(C=C(C=C1)O)O","ZYOCOAHYGMHHQS-UHFFFAOYSA-N",365027,NA,"PDBC08312","631962","Present",NA,NA
+"8313","1-(2,4-Dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-DIHYDROXYPHENYL)-2-(4-METHOXYPHENYL)ETHANONE",NA,"COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2)O)O","XHBZOAYMBBUURD-UHFFFAOYSA-N",259632,NA,"PDBC08313","89759","Present",NA,NA
+"8314","1-(2,4-Dimethoxyphenyl)-3-(4-((10-(4-(3-(3,4-dimethoxyphenyl)-3-oxo-1-propenyl)phenoxy)decyl)oxy)phenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[10-[4-[(E)-3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenoxy]decoxy]phenyl]prop-2-en-1-one",NA,"COC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCCCCCCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC(=C(C=C4)OC)OC)OC","VDLPOXWIQQDDGZ-HEPXYTLMSA-N",5467691,NA,"PDBC08314","657873","Present",NA,NA
+"8315","1-(2,4-Dimethylphenyl)-2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dimethylphenyl)-2-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyrazin-6-yl)ethanone",NA,"CC1=CC(=C(C=C1)C(=O)CC2=NC3=C(C(=NN3C4=CC=CC=C4)C)NC2=O)C","IUSAJNXVGUUIGV-UHFFFAOYSA-N",378931,NA,"PDBC08315","662439","Present",NA,NA
+"8316","1-(2,4-Disulfamoylphenyl)-3-(4-methylphenyl)sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Disulfamoylphenyl)-3-(p-tolylsulfonyl)urea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C=C(C=C2)S(=O)(=O)N)S(=O)(=O)N","HZCIUEQHULUTSW-UHFFFAOYSA-N",396508,NA,"PDBC08316","702693","Present",NA,NA
+"8317","1-(2,5,6,11-Tetramethylpyrido[4,3-b]carbazol-2-ium-9-yl)ethanone;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5,6,11-Tetramethylpyrido[4,3-b]carbazol-2-ium-9-yl)ethanone;iodide",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=C3C=C(C=C4)C(=O)C)C)C)C.[I-]","HHEQXSRBVOUADZ-UHFFFAOYSA-M",356564,NA,"PDBC08317","612941","Present",NA,NA
+"8318","1-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)prop-2-en-1-one",NA,"C=CC(=O)C1=CC2=C(C=C1)OCCOCCOCCOCCOCCO2","GFTQASVZKKIMHH-UHFFFAOYSA-N",375484,NA,"PDBC08318","655266","Present",NA,NA
+"8319","1-(2,5-Dichlorobenzoyl)-4-(3,4-dichlorophenyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-Dichlorobenzoyl)-4-(3,4-dichlorophenyl)piperazine",NA,"C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=C(C=CC(=C3)Cl)Cl","FSOOSFAWPYBMSB-UHFFFAOYSA-N",386374,NA,"PDBC08319","678258","Present",NA,NA
+"8320","1-(2,5-Dichlorophenyl)-3-[3-[4-[3-[(2,5-dichlorophenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-dichlorophenyl)-3-[3-[4-[3-[(2,5-dichlorophenyl)carbamoylamino]propyl]piperazin-1-yl]propyl]urea",NA,"C1CN(CCN1CCCNC(=O)NC2=C(C=CC(=C2)Cl)Cl)CCCNC(=O)NC3=C(C=CC(=C3)Cl)Cl","FVAVFZKHLXCGKM-UHFFFAOYSA-N",261646,NA,"PDBC08320","94510","Present",NA,NA
+"8321","1-(2,5-Dichlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-Dichlorophenyl)-6,6-dimethyl-1,6-dihydro-1,3,5-triazine-2,4-diamine",NA,"CC1(N=C(N=C(N1C2=C(C=CC(=C2)Cl)Cl)N)N)C","NSPSLCYVKZBTBT-UHFFFAOYSA-N",293763,NA,"PDBC08321","160893","Present",NA,NA
+"8322","1-(2,5-Dichlorophenyl)sulfonylimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5510046",NA,"C1=CC(=C(C=C1Cl)S(=O)(=O)N2C=CN=C2)Cl","VDMADHIGYMZGRG-UHFFFAOYSA-N",403027,NA,"PDBC08322","717500","Present",NA,NA
+"8323","1-(2,5-Dichlorophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_007198",NA,"C1=CC(=C(C=C1Cl)NC(=S)N)Cl","UQCOANNCPUOZNW-UHFFFAOYSA-N",2731095,NA,"PDBC08323","635820","Present",NA,NA
+"8324","1-(2,5-Dichlorophenylazo)naphthalene-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-Dichlorophenylazo)naphthalene-2-ol",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)Cl)O","CPCATQXQIUSTRT-UHFFFAOYSA-N",251091,NA,"PDBC08324","71264","Present",NA,NA
+"8325","1-(2,5-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC(=C4)F)F","LSTDRGOUIBTZHD-UHFFFAOYSA-N",362007,NA,"PDBC08325","625486","Present",NA,NA
+"8326","1-(2,5-Dimethoxyphenyl)-3-methylidenebutane-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-Dimethoxyphenyl)-3-methylidenebutane-1,4-diol",NA,"COC1=CC(=C(C=C1)OC)C(CC(=C)CO)O","MWNOMACJLNAVLF-UHFFFAOYSA-N",358355,NA,"PDBC08326","618322","Present",NA,NA
+"8327","1-(2,5-Dimethylphenyl)-4,7-dimethyl-1H-indole-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-Dimethylphenyl)-4,7-dimethyl-1H-indole-2,3-dione",NA,"CC1=CC(=C(C=C1)C)N2C3=C(C=CC(=C3C(=O)C2=O)C)C","VKVUCQMRRVKFNV-UHFFFAOYSA-N",348748,NA,"PDBC08327","408215","Present",NA,NA
+"8328","1-(2,5-Dioxo-1-phenyl-3-pyrrolidinyl)-2-oxocyclohexanecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-Dioxo-1-phenyl-3-pyrrolidinyl)-2-oxocyclohexanecarbonitrile",NA,"C1CCC(C(=O)C1)(C#N)C2CC(=O)N(C2=O)C3=CC=CC=C3","UYYXZAWHOKHEEU-UHFFFAOYSA-N",362458,NA,"PDBC08328","626405","Present",NA,NA
+"8329","1-(2,6-Di-tert-butyl-4-methoxyphenyl) 4-(2-(hydroxy(oxido)amino)vinyl) 2-butenedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Di-tert-butyl-4-methoxyphenyl) 4-(2-(hydroxy(oxido)amino)vinyl) 2-butenedioate",NA,"CC(C)(C)C1=CC(=CC(=C1OC(=O)C=CC(=O)OC=C[N+](=O)[O-])C(C)(C)C)OC","ZVTXJIHHTKOISF-BNFZFUHLSA-N",5470340,NA,"PDBC08329","699787","Present",NA,NA
+"8330","1-(2,6-Dichlorophenyl)-2-indolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diclofenac Amide",NA,"C1C2=CC=CC=C2N(C1=O)C3=C(C=CC=C3Cl)Cl","JCICIFOYVSPMHG-UHFFFAOYSA-N",27211,NA,"PDBC08330","621845","Present",NA,NA
+"8331","1-(2,6-Dichlorophenyl)-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Dichlorophenyl)-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline",NA,"C1C2=CC=CC=C2N=C3N1C(SC3)C4=C(C=CC=C4Cl)Cl","QSCYDJMUSNZHNV-UHFFFAOYSA-N",395894,NA,"PDBC08331","700989","Present",NA,NA
+"8332","1-(2,6-Dichlorophenyl)-4-methylpent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Dichlorophenyl)-4-methylpent-1-en-3-one",NA,"CC(C)C(=O)C=CC1=C(C=CC=C1Cl)Cl","LMUXWATZTPXMQG-VOTSOKGWSA-N",5817094,NA,"PDBC08332","669739","Present",NA,NA
+"8333","1-(2,6-Dichlorophenyl)-6,7-difluoro-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Dichlorophenyl)-6,7-difluoro-3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC(=C(C=C3N2C(S1)C4=C(C=CC=C4Cl)Cl)F)F","PJLIXBWBUQRGNL-UHFFFAOYSA-N",395916,NA,"PDBC08333","701011","Present",NA,NA
+"8334","1-(2,6-Dichlorophenyl)-6-(trifluoromethyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Dichlorophenyl)-6-(trifluoromethyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=CC(=C3)C(F)(F)F","GZARGHUGNWSSIA-UHFFFAOYSA-N",395906,NA,"PDBC08334","701001","Present",NA,NA
+"8335","1-(2,6-Dichlorophenyl)-6-fluoro-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Dichlorophenyl)-6-fluoro-3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=CC(=C3)F","DVFPFDHTFCJOTK-UHFFFAOYSA-N",395914,NA,"PDBC08335","701009","Present",NA,NA
+"8336","1-(2,6-Dichlorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichloropheny...",NA,"COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4Cl)Cl","GYCGPAKNEADXKK-UHFFFAOYSA-N",396042,NA,"PDBC08336","701314","Present",NA,NA
+"8337","1-(2,6-Dichlorophenyl)-7-(trifluoromethyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Dichlorophenyl)-7-(trifluoromethyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)C(F)(F)F","RVMHGNPBTCTMID-UHFFFAOYSA-N",395905,NA,"PDBC08337","701000","Present",NA,NA
+"8338","1-(2,6-Dichlorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Dichlorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)C(=O)C5=CC=CC=C5","VYPGAZQJNTXJSS-UHFFFAOYSA-N",395909,NA,"PDBC08338","701004","Present",NA,NA
+"8339","1-(2,6-Dichlorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Dichlorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=C(C=C3)F","BBAZKTBJJLEVBN-UHFFFAOYSA-N",395913,NA,"PDBC08339","701008","Present",NA,NA
+"8340","1-(2,6-Dichlorophenyl)-7-methoxy-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Dichlorophenyl)-7-methoxy-3H-thiazolo[3,4-a]benzimidazole",NA,"COC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4Cl)Cl","CNSSBTHBGFLIDJ-UHFFFAOYSA-N",396041,NA,"PDBC08340","701313","Present",NA,NA
+"8341","1-(2,6-Difluoro-benzyl)-2-(2,6-difluoro-phenyl)-5,6-dimethyl-1H-benzoimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-difluorobenzyl)-2-(2,6-difluorophenyl)-5,6-dimeth...",NA,"CC1=CC2=C(C=C1C)N(C(=N2)C3=C(C=CC=C3F)F)CC4=C(C=CC=C4F)F","MVZXSBJQFHXYTI-UHFFFAOYSA-N",404172,NA,"PDBC08341","720324","Present",NA,NA
+"8342","1-(2,6-Difluorophenyl)-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline",NA,"C1C2=CC=CC=C2N=C3N1C(SC3)C4=C(C=CC=C4F)F","IGIRSLLURDRTQA-UHFFFAOYSA-N",395893,NA,"PDBC08342","700988","Present",NA,NA
+"8343","1-(2,6-Difluorophenyl)-3H-thiazolo[3,4-a]benzimidazol-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-3H-thiazolo[3,4-a]benzimidazol-6-amine",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)N","RRXJQLCVJKJPCT-UHFFFAOYSA-N",387532,NA,"PDBC08343","681442","Present",NA,NA
+"8344","1-(2,6-Difluorophenyl)-3H-thiazolo[3,4-a]benzimidazol-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-3H-thiazolo[3,4-a]benzimidazol-7-amine",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)N","KVJQFWZBQQKNRC-UHFFFAOYSA-N",387531,NA,"PDBC08344","681441","Present",NA,NA
+"8345","1-(2,6-Difluorophenyl)-6,7-difluoro-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-6,7-difluoro-3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC(=C(C=C3N2C(S1)C4=C(C=CC=C4F)F)F)F","BIZXFFWRCXLUBD-UHFFFAOYSA-N",395915,NA,"PDBC08345","701010","Present",NA,NA
+"8346","1-(2,6-Difluorophenyl)-6,7-dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-6,7-dimethyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"CC1=CC2=C(C=C1C)N3C(SCC3=N2)C4=C(C=CC=C4F)F","HCPAEUVAOSHABF-UHFFFAOYSA-N",382387,NA,"PDBC08346","669945","Present",NA,NA
+"8347","1-(2,6-Difluorophenyl)-6-benzoyl-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-6-benzoyl-3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)C(=O)C5=CC=CC=C5","WJUHVBVFHBPSDT-UHFFFAOYSA-N",395908,NA,"PDBC08347","701003","Present",NA,NA
+"8348","1-(2,6-Difluorophenyl)-6-fluoro-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-6-fluoro-3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)F","XKQKZYHNFBUGJV-UHFFFAOYSA-N",395912,NA,"PDBC08348","701007","Present",NA,NA
+"8349","1-(2,6-Difluorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole",NA,"COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4F)F","WJJYGBIUIMGVKQ-UHFFFAOYSA-N",395887,NA,"PDBC08349","700982","Present",NA,NA
+"8350","1-(2,6-Difluorophenyl)-6-nitro-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-6-nitro-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)[N+](=O)[O-]","XFSVWDXHQYTGIA-UHFFFAOYSA-N",384822,NA,"PDBC08350","675274","Present",NA,NA
+"8351","1-(2,6-Difluorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-7-benzoyl-3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)C(=O)C5=CC=CC=C5","XJUKFRBRABNBTR-UHFFFAOYSA-N",395907,NA,"PDBC08351","701002","Present",NA,NA
+"8352","1-(2,6-Difluorophenyl)-7-chloro-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-7-chloro-3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)Cl","AYHMQULRXBSYMV-UHFFFAOYSA-N",384824,NA,"PDBC08352","675276","Present",NA,NA
+"8353","1-(2,6-Difluorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-7-fluoro-3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)F","CXNXTBCOHWUASW-UHFFFAOYSA-N",395911,NA,"PDBC08353","701006","Present",NA,NA
+"8354","1-(2,6-Difluorophenyl)-7-methoxy-1,3-dihydrothiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Difluorophenyl)-7-methoxy-1H,3H-thiazolo[3,4-a]benzimidazole",NA,"COC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4F)F","BEBGSZSUIZBEOW-UHFFFAOYSA-N",395888,NA,"PDBC08354","700983","Present",NA,NA
+"8355","1-(2,6-Dihydroxyphenyl)-1,3-dodecanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AUHAWSBUTWMGGC-UHFFFAOYSA-N",NA,"CCCCCCCCCC(=O)CC(=O)C1=C(C=CC=C1O)O","AUHAWSBUTWMGGC-UHFFFAOYSA-N",365025,NA,"PDBC08355","631960","Present",NA,NA
+"8356","1-(2,6-Dihydroxyphenyl)-1,3-hexadecanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UXSXORUDTPCRAY-UHFFFAOYSA-N",NA,"CCCCCCCCCCCCCC(=O)CC(=O)C1=C(C=CC=C1O)O","UXSXORUDTPCRAY-UHFFFAOYSA-N",360504,NA,"PDBC08356","622638","Present",NA,NA
+"8357","1-(2,6-Dihydroxyphenyl)-1,3-tetradecanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PWBKIAXJCHFEJA-UHFFFAOYSA-N",NA,"CCCCCCCCCCCC(=O)CC(=O)C1=C(C=CC=C1O)O","PWBKIAXJCHFEJA-UHFFFAOYSA-N",365026,NA,"PDBC08357","631961","Present",NA,NA
+"8358","1-(2,6-Dihydroxyphenyl)-1,3-tridecanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCZAVPKHTDWZMN-UHFFFAOYSA-N",NA,"CCCCCCCCCCC(=O)CC(=O)C1=C(C=CC=C1O)O","NCZAVPKHTDWZMN-UHFFFAOYSA-N",360505,NA,"PDBC08358","622639","Present",NA,NA
+"8359","1-(2,6-Dihydroxyphenyl)-11-phenyl-1-undecanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JEUSOLAWSNFKCL-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)CCCCCCCCCCC(=O)C2=C(C=CC=C2O)O","JEUSOLAWSNFKCL-UHFFFAOYSA-N",365017,NA,"PDBC08359","631952","Present",NA,NA
+"8360","1-(2,6-Dihydroxyphenyl)-3-hydroxy-1-dodecanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HEJOJEMDIXLBRW-UHFFFAOYSA-N",NA,"CCCCCCCCCC(CC(=O)C1=C(C=CC=C1O)O)O","HEJOJEMDIXLBRW-UHFFFAOYSA-N",389031,NA,"PDBC08360","684577","Present",NA,NA
+"8361","1-(2,6-Dihydroxyphenyl)dodecan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL560680",NA,"CCCCCCCCCCCC(=O)C1=C(C=CC=C1O)O","WPFIJMIBEGNIHW-UHFFFAOYSA-N",365016,NA,"PDBC08361","631951","Present",NA,NA
+"8362","1-(2,6-Dimethylphenyl)-3-[(1,3-dioxoindan-2-ylidene)methyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,6-Dimethylphenyl)-3-[(1,3-dioxoindan-2-ylidene)methyl]thiourea",NA,"CC1=C(C(=CC=C1)C)NC(=S)N=CC2=C(C3=CC=CC=C3C2=O)O","SFBMHOZTNKQUCK-KEBDBYFISA-N",135409066,NA,"PDBC08362","657570","Present",NA,NA
+"8363","1-(2,6-Dimethylphenyl)-4,6-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-bis(4-hydroy-3-methoxystyryl)-1-(2,6-dimethylphenyl)...",NA,"CC1=C(C(=CC=C1)C)N2C(=CC(=NC2=O)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC","NARPRUPTBPRBMS-QHKWOANTSA-N",155809153,NA,"PDBC08363","781638","Present",NA,NA
+"8364","1-(2,7-Dinitrofluoren-9-ylidene)-N,N,N',N'-tetramethyl-methanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,N',N'-Tetramethyl(2,7-dinitro-9H-fluoren-9-ylidene)methanediamine",NA,"CN(C)C(=C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-])N(C)C","MZPWRUXNBOTBRH-UHFFFAOYSA-N",388898,NA,"PDBC08364","684129","Present",NA,NA
+"8365","1-(2-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-2-(hydroxymethyl)cyclopropyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-2-(hydroxymethyl)cyclopropyl)ethanol",NA,"CC(C1CC1(CNC2=CC(=NC(=N2)N)Cl)CO)O","TVDUUCHDXMWNQU-UHFFFAOYSA-N",385222,NA,"PDBC08365","676335","Present",NA,NA
+"8366","1-(2-((10-((2-(1-Naphthyloxy)ethyl)thio)decyl)thio)ethoxy)naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-((10-((2-(1-Naphthyloxy)ethyl)thio)decyl)thio)ethoxy)naphthalene",NA,"C1=CC=C2C(=C1)C=CC=C2OCCSCCCCCCCCCCSCCOC3=CC=CC4=CC=CC=C43","ILMBKTBHGIYQSN-UHFFFAOYSA-N",371304,NA,"PDBC08366","645378","Present",NA,NA
+"8367","1-(2-((2,2-Dimethyl-1,3-dioxolan-4-yl)methyl)-5-isoxazolidinyl)-5-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-((2,2-Dimethyl-1,3-dioxolan-4-yl)methyl)-5-isoxazolidinyl)-5-methyl-2,4(1H,3H)-pyrimidinedione",NA,"CC1=CN(C(=O)NC1=O)C2CCN(O2)CC3COC(O3)(C)C","USLXQSDJLZPARW-UHFFFAOYSA-N",380506,NA,"PDBC08367","666121","Present",NA,NA
+"8368","1-(2-((2-(2-Amino-6-hydroxy-7H-purin-7-yl)ethyl)amino)ethyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-((2-(2-Amino-6-hydroxy-7H-purin-7-yl)ethyl)amino)ethyl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone",NA,"C1=CN(C(=O)N=C1N)CCNCCN2C=NC3=C2C(=O)NC(=N3)N","YMDFTVXXUSNVAV-UHFFFAOYSA-N",135486258,NA,"PDBC08368","639789","Present",NA,NA
+"8369","1-(2-((2-(Acetylamino)-3-methylbutanoyl)amino)propanoyl)proline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-((2-(Acetylamino)-3-methylbutanoyl)amino)propanoyl)proline",NA,"CC(C)C(C(=O)NC(C)C(=O)N1CCCC1C(=O)O)NC(=O)C","LMCPGWWGNZYOLP-UHFFFAOYSA-N",381419,NA,"PDBC08369","668007","Present",NA,NA
+"8370","1-(2-((2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)thio)ethyl)-4-methylpiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-((2-Chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)thio)ethyl)-4-methylpiperazine",NA,"CN1CCN(CC1)CCSC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24","JZTQXLGXJLBLFI-UHFFFAOYSA-N",366670,NA,"PDBC08370","635366","Present",NA,NA
+"8371","1-(2-((2-Chloroethyl)thio)ethyl)-3-cyclohexyl-1-nitrosourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, N-[2-[(2-chloroethyl)thio]ethyl]-N'-cyclohexyl-N-n...",NA,"C1CCC(CC1)NC(=O)N(CCSCCCl)N=O","KJRPCFPUAWNDAQ-UHFFFAOYSA-N",325087,NA,"PDBC08371","292684","Present",NA,NA
+"8372","1-(2-((3,4-Dimethoxybenzyl)thio)benzyl)-1H-pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-((3,4-Dimethoxybenzyl)thio)benzyl)-1H-pyrrole",NA,"COC1=C(C=C(C=C1)CSC2=CC=CC=C2CN3C=CC=C3)OC","MEJIWDPRVIGCLT-UHFFFAOYSA-N",376844,NA,"PDBC08372","657962","Present",NA,NA
+"8373","1-(2-((5-(3,5-Bis(hydroxy(oxido)amino)-2-methylphenyl)-1,3,4-oxadiazol-2-yl)amino)-4-methyl-1,3-thiazol-5-yl)-4-(6-chloro-3-hydroxy-2-quinoxalinyl)-1,3-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Chloro-3-oxo-4H-quinoxalin-2-yl)-1-[4-methyl-2-[[5-(2-methyl-3,5-dinitrophenyl)-1,3,4-oxadiazol-2-yl]amino]-1,3-thiazol-5-yl]butane-1,3-dione",NA,"CC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=NN=C(O2)NC3=NC(=C(S3)C(=O)CC(=O)CC4=NC5=C(C=C(C=C5)Cl)NC4=O)C","PSDDZSHNCLRJTG-UHFFFAOYSA-N",369264,NA,"PDBC08373","640995","Present",NA,NA
+"8374","1-(2-((5-(4-(5-((5-Acetyl-4-methyl-1,3-thiazol-2-yl)amino)-1,3,4-oxadiazol-2-yl)phenyl)-1,3,4-oxadiazol-2-yl)amino)-4-methyl-1,3-thiazol-5-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[[5-[4-[5-[(5-Acetyl-4-methyl-1,3-thiazol-2-yl)amino]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]ethanone",NA,"CC1=C(SC(=N1)NC2=NN=C(O2)C3=CC=C(C=C3)C4=NN=C(O4)NC5=NC(=C(S5)C(=O)C)C)C(=O)C","RSIIOIFGZPDTRE-UHFFFAOYSA-N",371571,NA,"PDBC08374","645900","Present",NA,NA
+"8375","1-(2-((Anilinocarbonyl)(2-((anilinocarbonyl)(benzyl)amino)ethyl)amino)ethyl)-N,2-diphenylhydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Anilino-1-[2-[2-[benzyl(phenylcarbamoyl)amino]ethyl-(phenylcarbamoyl)amino]ethyl]-3-phenyl-urea",NA,"C1=CC=C(C=C1)CN(CCN(CCN(C(=O)NC2=CC=CC=C2)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5","JLLDWEQGRPZRIW-UHFFFAOYSA-N",393255,NA,"PDBC08375","694882","Present",NA,NA
+"8376","1-(2-((Cyclopentylcarbonyl)amino)-3-(1H-imidazol-4-yl)propanoyl)-2-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-((Cyclopentylcarbonyl)amino)-3-(1H-imidazol-4-yl)propanoyl)-2-pyrrolidinecarboxamide",NA,"C1CCC(C1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)N","UKQOBAWZNJCNOH-UHFFFAOYSA-N",381834,NA,"PDBC08376","668907","Present",NA,NA
+"8377","1-(2-((Tert-Butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoyl)proline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-((Tert-Butoxycarbonyl)amino)-3-(4-hydroxyphenyl)propanoyl)proline",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)O","NSIPXPQHZLNRJQ-UHFFFAOYSA-N",371683,NA,"PDBC08377","646121","Present",NA,NA
+"8378","1-(2-(1,2-Diazaspiro[2.4]hept-1-yl)-1-methylethyl)-1,2-diazaspiro[2.4]heptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(1,2-Diazaspiro[2.4]hept-1-yl)-1-methylethyl)-1,2-diazaspiro[2.4]heptane",NA,"CC(CN1C2(N1)CCCC2)N3C4(N3)CCCC4","XQPUVLDYPLYKEG-UHFFFAOYSA-N",389835,NA,"PDBC08378","686467","Present",NA,NA
+"8379","1-(2-(1,3-Benzodioxol-5-yl)ethyl)-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(1,3-Benzodioxol-5-yl)ethyl)-1,3,4,5,6,7-hexahydro-2H-cyclopenta[b]pyridin-2-one",NA,"C1CC2=C(C1)N(C(=O)CC2)CCC3=CC4=C(C=C3)OCO4","VYCGPCKLRRVRSX-UHFFFAOYSA-N",380798,NA,"PDBC08379","666517","Present",NA,NA
+"8380","1-(2-(1-Phenanthryl)-1,2-diphenylethyl)phenanthrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(1-Phenanthryl)-1,2-diphenylethyl)phenanthrene",NA,"C1=CC=C(C=C1)C(C2=CC=CC3=C2C=CC4=CC=CC=C43)C(C5=CC=CC=C5)C6=CC=CC7=C6C=CC8=CC=CC=C87","RFUAXVYDNSFUAI-UHFFFAOYSA-N",410322,NA,"PDBC08380","27959","Present",NA,NA
+"8381","1-(2-(1H-Imidazol-4-yl)ethyl)-2,4-dioxohexahydro-5-pyrimidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(1H-Imidazol-4-yl)ethyl)-2,4-dioxohexahydro-5-pyrimidinecarboximidamide",NA,"C1C(C(=O)NC(=O)N1CCC2=CN=CN2)C(=N)N","XIOMHZQVNWZDNE-UHFFFAOYSA-N",376405,NA,"PDBC08381","657315","Present",NA,NA
+"8382","1-(2-(1H-Indol-3-yl)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(1H-Indol-3-yl)ethyl)-1,2,5,6-tetrahydro-3-pyridinecarbaldehyde",NA,"C1CN(CC(=C1)C=O)CCC2=CNC3=CC=CC=C32","QAYBKWJRBLLGEK-UHFFFAOYSA-N",372783,NA,"PDBC08382","648407","Present",NA,NA
+"8383","1-(2-(1H-Indol-3-yl)ethyl)-2,4-dioxohexahydro-5-pyrimidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(1H-Indol-3-yl)ethyl)-2,4-dioxohexahydro-5-pyrimidinecarboximidamide",NA,"C1C(C(=O)NC(=O)N1CCC2=CNC3=CC=CC=C32)C(=N)N","VVXLBKKVKLHDQU-UHFFFAOYSA-N",376277,NA,"PDBC08383","656991","Present",NA,NA
+"8384","1-(2-(1H-Indol-3-yl)ethyl)-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(1H-Indol-3-yl)ethyl)-2,6-piperidinedione",NA,"C1CC(=O)N(C(=O)C1)CCC2=CNC3=CC=CC=C32","KBAAEBGRXDBBHJ-UHFFFAOYSA-N",357951,NA,"PDBC08384","617624","Present",NA,NA
+"8385","1-(2-(1H-Indol-3-yl)ethyl)-6-oxo-1,4,5,6-tetrahydro-2-pyrimidinylcyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(1H-Indol-3-yl)ethyl)-6-oxo-1,4,5,6-tetrahydro-2-pyrimidinylcyanamide",NA,"C1CN=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC#N","NFLMVSDFAHZXKI-UHFFFAOYSA-N",375244,NA,"PDBC08385","654633","Present",NA,NA
+"8386","1-(2-(1H-Indol-3-yl)ethyl)indoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(1H-Indol-3-yl)ethyl)indoline",NA,"C1CN(C2=CC=CC=C21)CCC3=CNC4=CC=CC=C43","JFNPAIFYPYOSES-UHFFFAOYSA-N",378608,NA,"PDBC08386","661248","Present",NA,NA
+"8387","1-(2-(2,5-Dimethoxyphenyl)ethyl)-4,5-dimethoxy-2-methylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(2,5-Dimethoxyphenyl)ethyl)-4,5-dimethoxy-2-methylbenzene",NA,"CC1=CC(=C(C=C1CCC2=C(C=CC(=C2)OC)OC)OC)OC","CYLIPZMUKKMUBE-UHFFFAOYSA-N",371216,NA,"PDBC08387","645265","Present",NA,NA
+"8388","1-(2-(2-Pyridinyl)ethyl)azepane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(2-Pyridinyl)ethyl)azepane",NA,"C1CCCN(CC1)CCC2=CC=CC=N2","MDIWFIMZFDGRPW-UHFFFAOYSA-N",227424,NA,"PDBC08388","18997","Present",NA,NA
+"8389","1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(3-(hydroxy(oxido)amino)phenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(3-nitrophenyl)prop-2-en-1-one",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC(=CC=C5)[N+](=O)[O-]","CJUKTJXWIFOPJJ-FOCLMDBBSA-N",6035704,NA,"PDBC08389","640559","Present",NA,NA
+"8390","1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-(hydroxy(oxido)amino)phenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-en-1-one",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)[N+](=O)[O-]","IPRWXFAJXPKDLK-SAPNQHFASA-N",5934332,NA,"PDBC08390","640556","Present",NA,NA
+"8391","1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-methylphenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-(4-methylphenyl)-2-propen-1-one",NA,"CC1=CC=C(C=C1)C=CC(=O)C2=C(N=C(S2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C","HDPZGEIGUACCAU-ISLYRVAYSA-N",5864101,NA,"PDBC08391","640583","Present",NA,NA
+"8392","1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-phenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-phenyl-2-propen-1-one",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=CC=C5","DDJHJUVZEFZWQV-ISLYRVAYSA-N",5884626,NA,"PDBC08392","640558","Present",NA,NA
+"8393","1-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)ethanone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]-2,4-dinitroaniline",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C","DTRCKSZJHHNCMQ-RDRPBHBLSA-N",9571359,NA,"PDBC08393","648587","Present",NA,NA
+"8394","1-(2-(4-(6-(4-Fluorophenyl)imidazo[2,1-b]thiazol-5-yl)pyrimidin-2-ylamino)ethyl)-3-(3-(trifluoromethyl)phenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(4-(6-(4-fluorophenyl)imidazo[2,1-b]thiazol-5-yl)py...",NA,"C1=CC(=CC(=C1)NC(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F)C(F)(F)F","WTROZCYGAOFMDH-UHFFFAOYSA-N",60147932,NA,"PDBC08394","753199","Present",NA,NA
+"8395","1-(2-(Acetylamino)-3-(1H-imidazol-4-yl)propanoyl)-2-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(Acetylamino)-3-(1H-imidazol-4-yl)propanoyl)-2-pyrrolidinecarboxamide",NA,"CC(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)N","SWBJFMHHQOBNAT-UHFFFAOYSA-N",381832,NA,"PDBC08395","668905","Present",NA,NA
+"8396","1-(2-(Acetylamino)-3-methylbutanoyl)proline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(Acetylamino)-3-methylbutanoyl)proline",NA,"CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C","ZPKYCVTWAHLHKY-UHFFFAOYSA-N",381417,NA,"PDBC08396","668005","Present",NA,NA
+"8397","1-(2-(Acetyloxy)ethylidene)-4-((4-methoxyphenyl)imino)-2-butenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(Acetyloxy)ethylidene)-4-((4-methoxyphenyl)imino)-2-butenyl acetate",NA,"CC(=O)OCC=C(C=CC=NC1=CC=C(C=C1)OC)OC(=O)C","SRZTZMXBRZXJTQ-MSPRYKTPSA-N",5467952,NA,"PDBC08397","660673","Present",NA,NA
+"8398","1-(2-(Acetyloxy)ethylidene)-4-(4-methoxyanilino)-2-butenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(Acetyloxy)ethylidene)-4-(4-methoxyanilino)-2-butenyl acetate",NA,"CC(=O)OCC=C(C=CCNC1=CC=C(C=C1)OC)OC(=O)C","GYIBEBAXRUJOPP-DSSQOXSPSA-N",5467954,NA,"PDBC08398","660675","Present",NA,NA
+"8399","1-(2-(Aminocarbothioyl)carbohydrazonoyl)-4-methyl-5-isoquinolinyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-[[4-(acetyloxy)-5-methyl- 1-i...",NA,"CC1=CN=C(C2=C1C(=CC=C2)OC(=O)C)C=NNC(=S)N","HNJCGFUDXDBNGY-REZTVBANSA-N",9571611,NA,"PDBC08399","687304","Present",NA,NA
+"8400","1-(2-(Benzyloxy)-1-methyl-2-oxoethyl) 4-tert-butyl 2-((tert-butoxycarbonyl)amino)succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(Benzyloxy)-1-methyl-2-oxoethyl) 4-tert-butyl 2-((tert-butoxycarbonyl)amino)succinate",NA,"CC(C(=O)OCC1=CC=CC=C1)OC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C","KINRVHBIGXTTKF-UHFFFAOYSA-N",382321,NA,"PDBC08400","669780","Present",NA,NA
+"8401","1-(2-(Benzylsulfinyl)benzyl)-1H-pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(Benzylsulfinyl)benzyl)-1H-pyrrole",NA,"C1=CC=C(C=C1)CS(=O)C2=CC=CC=C2CN3C=CC=C3","VUTMXLDWUFDQME-UHFFFAOYSA-N",376843,NA,"PDBC08401","657961","Present",NA,NA
+"8402","1-(2-(Diethylamino)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(Diethylamino)ethyl]-1h-pyrazolo[3,4-d]pyrimidin-4-amine",NA,"CCN(CC)CCN1C2=NC=NC(=C2C=N1)N","TXPDXDQEOLGUMM-UHFFFAOYSA-N",227513,NA,"PDBC08402","19119","Present",NA,NA
+"8403","1-(2-(Dimethylamino)ethyl)-3-((4-methylphenyl)sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(Dimethylamino)ethyl)-3-((4-methylphenyl)sulfonyl)-1H-pyrrolo[2,3-b]quinoxalin-2-amine",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC4=CC=CC=C4N=C23)CCN(C)C)N","SGIHSIHUTBYNHT-UHFFFAOYSA-N",375328,NA,"PDBC08403","654902","Present",NA,NA
+"8404","1-(2-(Hydroxymethyl)-1,3-dioxolan-4-yl)cytosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-.beta.-L-1-[(2-Hydroxymethyl)-1,3-dioxolan-4yl]cytosine",NA,"C1C(OC(O1)CO)N2C=CC(=NC2=O)N","RXRGZNYSEHTMHC-UHFFFAOYSA-N",381525,NA,"PDBC08404","668281","Present",NA,NA
+"8405","1-(2-(Phenylsulfonyl)acetyl)pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK163768",NA,"C1CC(=O)N(C1)C(=O)CS(=O)(=O)C2=CC=CC=C2","IJGGKBMTKCJJEX-UHFFFAOYSA-N",394439,NA,"PDBC08405","697915","Present",NA,NA
+"8406","1-(2-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4C(F)(F)F","XRQBDCFVJBPNHH-UHFFFAOYSA-N",362617,NA,"PDBC08406","626758","Present",NA,NA
+"8407","1-(2-Adamantyl)-3,4-dichloro-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Adamantyl)-3,4-dichloro-1H-pyrrole-2,5-dione",NA,"C1C2CC3CC1CC(C2)C3N4C(=O)C(=C(C4=O)Cl)Cl","MVJNUMRSOKWMHH-UHFFFAOYSA-N",360351,NA,"PDBC08407","622409","Present",NA,NA
+"8408","1-(2-Adamantyl)-4-(1,3-benzoxazol-2-yl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Adamantyl)-4-(1,3-benzoxazol-2-yl)-2,3,5,6-piperidinetetrone",NA,"C1C2CC3CC1CC(C2)C3N4C(=O)C(=O)C(C(=O)C4=O)C5=NC6=CC=CC=C6O5","BZTYSTQSAGCNLH-UHFFFAOYSA-N",366748,NA,"PDBC08408","635521","Present",NA,NA
+"8409","1-(2-Adamantyl)-4-(1,3-benzoxazol-2-yl)-2,3,5,6-tetraoxopiperidine-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Adamantyl)-4-(1,3-benzoxazol-2-yl)-2,3,5,6-tetraoxopiperidine-4-carbonitrile",NA,"C1C2CC3CC1CC(C2)C3N4C(=O)C(=O)C(C(=O)C4=O)(C#N)C5=NC6=CC=CC=C6O5","XPHSEXMVTWPVOG-UHFFFAOYSA-N",364332,NA,"PDBC08409","630347","Present",NA,NA
+"8410","1-(2-Amino-1-oxido-quinolin-1-ium-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Amino-1-oxido-quinolin-1-ium-3-yl)ethanone",NA,"CC(=O)C1=CC2=CC=CC=C2N(C1=N)O","RYJMERQOGUBRTQ-UHFFFAOYSA-N",495753,NA,"PDBC08410","667509","Present",NA,NA
+"8411","1-(2-Amino-4-methyl-thiazol-5-yl)-3-(4-methoxy-phenyl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Amino-4-methyl-thiazol-5-yl)-3-(4-methoxy-phenyl)-propenone",NA,"CC1=C(SC(=N1)N)C(=O)C=CC2=CC=C(C=C2)OC","XIOMLHYWUDUONW-VMPITWQZSA-N",5908943,NA,"PDBC08411","640554","Present",NA,NA
+"8412","1-(2-Amino-4-methyl-thiazol-5-yl)-3-(4-nitro-phenyl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Amino-4-methyl-thiazol-5-yl)-3-(4-nitro-phenyl)-propenone",NA,"CC1=C(SC(=N1)N)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]","CWIAFEBOESXPRW-QPJJXVBHSA-N",5843529,NA,"PDBC08412","640555","Present",NA,NA
+"8413","1-(2-Amino-ethyl)-6-thioxo-[1,5]triazinane-2,4-dione hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Amino-ethyl)-6-thioxo-[1,3,5]triazinane-2,4-dione h...",NA,"C(CN1C(=O)NC(=O)NC1=S)N.Cl","YGAYGTUZXJXXSI-UHFFFAOYSA-N",24206069,NA,"PDBC08413","740007","Present",NA,NA
+"8414","1-(2-Aminoethoxymethyl)-5-[(3-phenylmethoxyphenyl)methyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Aminoethoxy)methyl]-5-[3-(benzyloxy)benzyl]pyrimidine-2,4(1H,3H)-dione",NA,"C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3=CN(C(=O)NC3=O)COCCN","ZVAVHJJLDLPPMW-UHFFFAOYSA-N",360829,NA,"PDBC08414","623292","Present",NA,NA
+"8415","1-(2-Aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Aminoethyl)-3-hydroxy-2-methylpyridin-4-one;hydrochloride",NA,"CC1=C(C(=O)C=CN1CCN)O.Cl","SRYUCYQTMLLFAO-UHFFFAOYSA-N",10330568,NA,"PDBC08415","359869","Present",NA,NA
+"8416","1-(2-Aminoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Aminoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea",NA,"C1=CC=C(C=C1)NC(=O)N(CCN)CCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3","LXPIGJKFAYACAB-UHFFFAOYSA-N",393246,NA,"PDBC08416","694873","Present",NA,NA
+"8417","1-(2-Aminoethyl)-4-(tritylamino)pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Aminoethyl)-4-(tritylamino)pyrimidin-2-one",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCN","RGHBZBPTJLDUKC-UHFFFAOYSA-N",368672,NA,"PDBC08417","639790","Present",NA,NA
+"8418","1-(2-Aminoethyl)-7-chloro-5-(4-chlorophenyl)-3H-1,4-benzodiazepin-2-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Aminoethyl)-7-chloro-5-(4-chlorophenyl)-3H-1,4-benzodiazepin-2-one hydrochloride",NA,"C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)Cl)CCN.Cl","KRQBHQYPWCACLJ-UHFFFAOYSA-N",398657,NA,"PDBC08418","708815","Present",NA,NA
+"8419","1-(2-Aminohexyldisulfanyl)hexan-2-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656251",NA,"CCCCC(CSSCC(CCCC)N)N.Cl","MDBAXMWGMKVYPP-UHFFFAOYSA-N",375914,NA,"PDBC08419","656251","Present",NA,NA
+"8420","1-(2-Aminophenyl)-3-(1,3-benzodioxol-5-yl)-2,3-dibromo-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Aminophenyl)-3-(1,3-benzodioxol-5-yl)-2,3-dibromo-1-propanone",NA,"C1OC2=C(O1)C=C(C=C2)C(C(C(=O)C3=CC=CC=C3N)Br)Br","VVNKQNLRCJLCRB-UHFFFAOYSA-N",375450,NA,"PDBC08420","655182","Present",NA,NA
+"8421","1-(2-Aminophenyl)-3-(1H-indol-3-yl)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Aminophenyl)-3-(1H-indol-3-yl)propan-1-one",NA,"C1=CC=C2C(=C1)C(=CN2)CCC(=O)C3=CC=CC=C3N","LVHULLKMESBEIG-UHFFFAOYSA-N",356984,NA,"PDBC08421","614539","Present",NA,NA
+"8422","1-(2-Aminophenyl)-3-(2-hydroxy-1-naphthyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Aminophenyl)-3-(2-hydroxy-1-naphthyl)-2-propen-1-one",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC(=O)C3=CC=CC=C3N)O","NZYLTSOYOOGAKX-ZRDIBKRKSA-N",5890551,NA,"PDBC08422","640544","Present",NA,NA
+"8423","1-(2-Anilino-1-naphthyl)naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Anilino-1-naphthyl)naphthalen-2-ol",NA,"C1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O","JFWFADDJQPNTMY-UHFFFAOYSA-N",394815,NA,"PDBC08423","698617","Present",NA,NA
+"8424","1-(2-Anilinoethyl)-3-[4-[[2-anilinoethyl(2-cyanoethyl)carbamoyl]amino]phenyl]-1-(2-cyanoethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Anilinoethyl)-3-[4-[[2-anilinoethyl(2-cyanoethyl)carbamoyl]amino]phenyl]-1-(2-cyanoethyl)urea",NA,"C1=CC=C(C=C1)NCCN(CCC#N)C(=O)NC2=CC=C(C=C2)NC(=O)N(CCC#N)CCNC3=CC=CC=C3","SWAHZFTWVBEACG-UHFFFAOYSA-N",393240,NA,"PDBC08424","694867","Present",NA,NA
+"8425","1-(2-Aza-bicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)-ethane-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Aza-bicyclo[2.2.2]oct-5-en-2-yl)-2-(1H-indol-3-yl)-ethane-1,2-dione",NA,"C1CC2C=CC1CN2C(=O)C(=O)C3=CNC4=CC=CC=C43","YSWCRYWHOQSZSU-UHFFFAOYSA-N",363557,NA,"PDBC08425","628521","Present",NA,NA
+"8426","1-(2-Azidoethyl)-2-methyl-5-nitroimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZOHNJAQYCPKISP-UHFFFAOYSA-N",NA,"CC1=NC=C(N1CCN=[N+]=[N-])[N+](=O)[O-]","ZOHNJAQYCPKISP-UHFFFAOYSA-N",3246588,NA,"PDBC08426","265263","Present",NA,NA
+"8427","1-(2-Benzhydryloxyethyl)-4-[(E)-3-(3-bromophenyl)prop-2-enyl]piperazine;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Benzhydryloxyethyl)-4-[(E)-3-(3-bromophenyl)prop-2-enyl]piperazine;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC=CC4=CC(=CC=C4)Br.C(=CC(=O)O)C(=O)O","SEWUFQYFPBDYBP-AJOUBPDISA-N",54611472,NA,"PDBC08427","707830","Present",NA,NA
+"8428","1-(2-Benzhydryloxyethyl)-4-[(E)-3-(3-iodophenyl)prop-2-enyl]piperazine;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Benzhydryloxyethyl)-4-[(E)-3-(3-iodophenyl)prop-2-enyl]piperazine;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC=CC4=CC(=CC=C4)I.C(=CC(=O)O)C(=O)O","SILLVYQQUSXICN-AJOUBPDISA-N",54603737,NA,"PDBC08428","707831","Present",NA,NA
+"8429","1-(2-Benzyl-4-oxo-3-phenyl-2-oxetanyl)-2-pyrrolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Benzyl-4-oxo-3-phenyl-2-oxetanyl)-2-pyrrolidinone",NA,"C1CC(=O)N(C1)C2(C(C(=O)O2)C3=CC=CC=C3)CC4=CC=CC=C4","DNJDYUUIZCUUIV-UHFFFAOYSA-N",366013,NA,"PDBC08429","634186","Present",NA,NA
+"8430","1-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-3-(2-hydro xyphenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-3-(2-h...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C(N)NC3=CC=CC=C3O","QWFGHUIMHNUGAS-UHFFFAOYSA-N",24205037,NA,"PDBC08430","734058","Present",NA,NA
+"8431","1-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-3-(3-hydro xyphenl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-3-(3-h...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C(N)NC3=CC(=CC=C3)O","BUAGIZSJTDCKLW-UHFFFAOYSA-N",54611674,NA,"PDBC08431","736217","Present",NA,NA
+"8432","1-(2-Benzylthio-4-chloro-5-phenylcarbamoylbenzenesulfony...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Benzylthio-4-chloro-5-phenylcarbamoylbenzenesulfony...",NA,"CC(=NNC(=NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=CC=CC=C2)Cl)SCC3=CC=CC=C3)N)C(=O)C","RMOCNWKVNQLRGE-MUFRIFMGSA-N",11226727,NA,"PDBC08432","728509","Present",NA,NA
+"8433","1-(2-Bromo-1-(bromomethyl)ethyl)-2-cyclopentyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Bromo-1-(bromomethyl)ethyl)-2-cyclopentyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline",NA,"COC1=C(C=C2C(N(CCC2=C1)C3CCCC3)C(CBr)CBr)OC","REJPYWXSBFPPSA-UHFFFAOYSA-N",373605,NA,"PDBC08433","650210","Present",NA,NA
+"8434","1-(2-Bromo-4,5-dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Bromo-4,5-dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7- ...",NA,"COC1=C(C=C2C(NCCC2=C1)CC3=CC(=C(C=C3Br)OC)OC)OC","QKHZFXGDKKIIJA-UHFFFAOYSA-N",366736,NA,"PDBC08434","635458","Present",NA,NA
+"8435","1-(2-Bromoallyl)-3-(3,4-dichlorophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-159149",NA,"C=C(CNC(=O)NC1=CC(=C(C=C1)Cl)Cl)Br","IAADVFXQPMIOMV-UHFFFAOYSA-N",379655,NA,"PDBC08435","664534","Present",NA,NA
+"8436","1-(2-Bromophenyl)-2,2,2-trifluoroethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP003880",NA,"C1=CC=C(C(=C1)C(=O)C(F)(F)F)Br","VNAWTGXXPNWISR-UHFFFAOYSA-N",358616,NA,"PDBC08436","618624","Present",NA,NA
+"8437","1-(2-Bromophenyl)-3-(dimethylamino)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Bromophenyl)-3-(dimethylamino)thiourea",NA,"CN(C)NC(=S)NC1=CC=CC=C1Br","CAIXCZFNMJIQJQ-UHFFFAOYSA-N",3004930,NA,"PDBC08437","663986","Present",NA,NA
+"8438","1-(2-Carboxyphenyl)-3-(dimethyl-amino)-2-methylpropan-1-one, hydrochloride salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-carboxyphenyl)-3-(dimethyl-amino)-2-methylpropan-1-...",NA,"CC(CN(C)C)C(=O)C1=CC=CC=C1C(=O)O.Cl","REIIHTVGGPJZEJ-UHFFFAOYSA-N",5351148,NA,"PDBC08438","22992","Present",NA,NA
+"8439","1-(2-Chloro,6-fluorophenyl)-5,6-dimethyl-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728195",NA,"CC1=CC2=C(C=C1C)N(C(=N2)C3=C(C=CC=C3Cl)F)CC4=C(C=CC=C4Cl)F","XKIDVUQKLQEGID-UHFFFAOYSA-N",24203473,NA,"PDBC08439","728195","Present",NA,NA
+"8440","1-(2-Chloro,6-fluorophenyl)-benz imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726407",NA,"C1=CC=C2C(=C1)N=C(N2CC3=C(C=CC=C3Cl)F)C4=C(C=CC=C4Cl)F","HKGRLYVRFRYWBD-UHFFFAOYSA-N",24202970,NA,"PDBC08440","726407","Present",NA,NA
+"8441","1-(2-Chloro-1-(4-methoxyphenyl)-2-phenylvinyl)-4-methoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-1-(4-methoxyphenyl)-2-phenylvinyl)-4-methoxybenzene",NA,"COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=C(C=C3)OC","SXHPIOYGNGNXRF-UHFFFAOYSA-N",384601,NA,"PDBC08441","674613","Present",NA,NA
+"8442","1-(2-Chloro-10H-phenothiazin-10-yl)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-10H-phenothiazin-10-yl)-2-propanol",NA,"CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)O","IICZXNQERLVJSM-UHFFFAOYSA-N",267541,NA,"PDBC08442","106885","Present",NA,NA
+"8443","1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-ethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-ethoxybenzene",NA,"CCOC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OC)Cl","XLDTXWLKYNKVLB-ATVHPVEESA-N",5467561,NA,"PDBC08443","655914","Present",NA,NA
+"8444","1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-methoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-2-(4-methoxyphenyl)vinyl)-4-methoxybenzene",NA,"COC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OC)Cl","HRVZOTLFVKDILN-WJDWOHSUSA-N",5467547,NA,"PDBC08444","655402","Present",NA,NA
+"8445","1-(2-Chloro-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-2-phenylacetyl)-5-oxopyrrolidine-2-carboxylic acid",NA,"C1CC(=O)N(C1C(=O)O)C(=O)C(C2=CC=CC=C2)Cl","RRHWHPBDIDCMAI-UHFFFAOYSA-N",367289,NA,"PDBC08445","636837","Present",NA,NA
+"8446","1-(2-Chloro-5-(hydroxy(oxido)amino)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-5-(hydroxy(oxido)amino)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","MYXKHRSTGNIYQC-UHFFFAOYSA-N",362624,NA,"PDBC08446","626765","Present",NA,NA
+"8447","1-(2-Chloro-5-nitrophenyl)-6-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-5-nitrophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline",NA,"COC1=CC2=C(CN3C(SCC3=N2)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)C=C1","FJLHYKWVDCEEHV-UHFFFAOYSA-N",400623,NA,"PDBC08447","712745","Present",NA,NA
+"8448","1-(2-Chloro-5-nitrophenyl)-7-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-5-nitrophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline",NA,"COC1=CC2=C(C=C1)N=C3CSC(N3C2)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","XLTKGSJZLBPBBR-UHFFFAOYSA-N",400622,NA,"PDBC08448","712744","Present",NA,NA
+"8449","1-(2-Chloro-6-fluorophenyl)-6-methoxy-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-chloro-6-fluoro...",NA,"COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4Cl)F","FYHTYCWPRDGVDK-UHFFFAOYSA-N",396040,NA,"PDBC08449","701312","Present",NA,NA
+"8450","1-(2-Chloro-6-fluorophenyl)-7-methoxy-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-6-fluorophenyl)-7-methoxy-3H-thiazolo[3,4-a]benzimidazole",NA,"COC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4Cl)F","BMONISGQURZTRR-UHFFFAOYSA-N",396039,NA,"PDBC08450","701311","Present",NA,NA
+"8451","1-(2-Chloro-6-nitrophenyl)-6-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-6-nitrophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline",NA,"COC1=CC2=C(CN3C(SCC3=N2)C4=C(C=CC=C4Cl)[N+](=O)[O-])C=C1","NETABVDJINAVFY-UHFFFAOYSA-N",400625,NA,"PDBC08451","712747","Present",NA,NA
+"8452","1-(2-Chloro-6-nitrophenyl)-7-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloro-6-nitrophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline",NA,"COC1=CC2=C(C=C1)N=C3CSC(N3C2)C4=C(C=CC=C4Cl)[N+](=O)[O-]","ZOURWWZPLJKIOU-UHFFFAOYSA-N",400624,NA,"PDBC08452","712746","Present",NA,NA
+"8453","1-(2-Chlorobenzoyl)-2-(4-chlorobenzoyl)-4,4-diethyl-3,5-pyrazolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorobenzoyl)-2-(4-chlorobenzoyl)-4,4-diethyl-3,5-pyrazolidinedione",NA,"CCC1(C(=O)N(N(C1=O)C(=O)C2=CC=CC=C2Cl)C(=O)C3=CC=C(C=C3)Cl)CC","FVOYDEJWHVOVFB-UHFFFAOYSA-N",388186,NA,"PDBC08453","682751","Present",NA,NA
+"8454","1-(2-Chlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile",NA,"CC1=CC2=C(C(=C1C)C#N)N(N=C2C)CC3=CC=CC=C3Cl","HMWWQBRPSINDBJ-UHFFFAOYSA-N",367596,NA,"PDBC08454","637428","Present",NA,NA
+"8455","1-(2-Chloroethyl)-2,14-dioxoazacyclotetradecane-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloroethyl)-2,14-dioxoazacyclotetradecane-3-carbonitrile",NA,"C1CCCCCC(=O)N(C(=O)C(CCCC1)C#N)CCCl","WMFBVLZAVKFOPD-UHFFFAOYSA-N",371579,NA,"PDBC08455","645927","Present",NA,NA
+"8456","1-(2-Chloroethyl)-2-(chloromethyl)piperidine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAP 1 hydrochloride",NA,"C1CCN(C(C1)CCl)CCCl.Cl","FVTCGYNXQSQUAO-UHFFFAOYSA-N",21123220,NA,"PDBC08456","33765","Present",NA,NA
+"8457","1-(2-Chloroethyl)-2-phenoxy-3-phenyl-1,3,2lambda5-diazaphospholidine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloroethyl)-2-phenoxy-3-phenyl-1,3,2-diazaphospholidine 2-oxide",NA,"C1CN(P(=O)(N1CCCl)OC2=CC=CC=C2)C3=CC=CC=C3","CVQCURZCJPYEAF-UHFFFAOYSA-N",382332,NA,"PDBC08457","669801","Present",NA,NA
+"8458","1-(2-Chloroethyl)-3-(3,4-dichlorophenyl)-1-nitrosourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, 1-(2-chloroethyl)-3-(3,4-dichlorophenyl)-1-nitroso...",NA,"C1=CC(=C(C=C1NC(=O)N(CCCl)N=O)Cl)Cl","NCLKIDZGWJFIDA-UHFFFAOYSA-N",267343,NA,"PDBC08458","106531","Present",NA,NA
+"8459","1-(2-Chloroethyl)-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloroethyl)-3-phenylurea",NA,"C1=CC=C(C=C1)NC(=O)NCCCl","GLAQLBSPTKQTEY-UHFFFAOYSA-N",252145,NA,"PDBC08459","73440","Present",NA,NA
+"8460","1-(2-Chloroethyl)-4-(3-chloropropyl)piperazine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperazine",NA,"C1CN(CCN1CCCCl)CCCl.Cl","VENAWWNQXLXMHX-UHFFFAOYSA-N",54607756,NA,"PDBC08460","344007","Present",NA,NA
+"8461","1-(2-Chloroethyl)-4-(tritylamino)pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloroethyl)-4-(tritylamino)pyrimidin-2-one",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCCl","LWYPPVWISBNKOH-UHFFFAOYSA-N",368676,NA,"PDBC08461","639794","Present",NA,NA
+"8462","1-(2-Chloroethylcarbamoyl)-1-hydroxy-3-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloroethylcarbamoyl)-1-hydroxy-3-phenyl-urea",NA,"C1=CC=C(C=C1)NC(=O)N(C(=O)NCCCl)O","ORMMOCSSEBOVAV-UHFFFAOYSA-N",388218,NA,"PDBC08462","682812","Present",NA,NA
+"8463","1-(2-Chloroethyldiazenyl)-1,3-dimethylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Triazene-1-carboxamide, 3-(2-chloroethyl)-N,1-dimethyl-",NA,"CNC(=O)N(C)N=NCCCl","CJLYVUNRUJYSGI-UHFFFAOYSA-N",354114,NA,"PDBC08463","604784","Present",NA,NA
+"8464","1-(2-Chlorophenyl)-1-phenyl-4-(1-pyrrolidinyl)-2-butyn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-1-phenyl-4-(1-pyrrolidinyl)-2-butyn-1-ol",NA,"C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=CC=C3Cl)O","FUERHIFBDWTBRC-UHFFFAOYSA-N",385007,NA,"PDBC08464","675860","Present",NA,NA
+"8465","1-(2-Chlorophenyl)-2-[(dimethylamino)methyl]prop-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-(2-chlorophenyl)-2-[(dimethylamino) me...",NA,"CN(C)CC(=C)C(=O)C1=CC=CC=C1Cl.Cl","HPZVUVZTLUWLPG-UHFFFAOYSA-N",5351333,NA,"PDBC08465","382007","Present",NA,NA
+"8466","1-(2-Chlorophenyl)-3-(1-naphthyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-3-(1-naphthyl)prop-2-en-1-one",NA,"C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC=CC=C3Cl","WXNBNBAXTJIKSU-OUKQBFOZSA-N",5921231,NA,"PDBC08466","640534","Present",NA,NA
+"8467","1-(2-Chlorophenyl)-3-(2-hydroxy-1-naphthyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-3-(2-hydroxy-1-naphthyl)-2-propen-1-one",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC(=O)C3=CC=CC=C3Cl)O","ZOQFHGVWYHPQPE-ZRDIBKRKSA-N",6292228,NA,"PDBC08467","636813","Present",NA,NA
+"8468","1-(2-Chlorophenyl)-3-(4-methyl-2-pyridyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-3-(4-methyl-2-pyridyl)thiourea",NA,"CC1=CC(=NC=C1)NC(=S)NC2=CC=CC=C2Cl","KEKPGUKMMKDOOP-UHFFFAOYSA-N",3005369,NA,"PDBC08468","695057","Present",NA,NA
+"8469","1-(2-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea",NA,"CC1=NC(=CC=C1)NC(=S)NC2=CC=CC=C2Cl","DOCPWEXVJNQESK-UHFFFAOYSA-N",3005367,NA,"PDBC08469","695054","Present",NA,NA
+"8470","1-(2-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=CC=C3Cl","IMCUGMJGZBONBR-CIAFOILYSA-N",9571648,NA,"PDBC08470","695066","Present",NA,NA
+"8471","1-(2-Chlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-3-[(E)-1-(4-hydroxyphenyl)ethylideneamino]urea",NA,"CC(=NNC(=O)NC1=CC=CC=C1Cl)C2=CC=C(C=C2)O","BVCBWNBPUWOMLE-VCHYOVAHSA-N",135436232,NA,"PDBC08471","715190","Present",NA,NA
+"8472","1-(2-Chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,"CC(=NNC(=S)NC1=CC=CC=C1Cl)C2=CC=CC=N2","DIAIPLSVPPGTLG-ZDLGFXPLSA-N",5923821,NA,"PDBC08472","668333","Present",NA,NA
+"8473","1-(2-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea",NA,"CC(=NNC(=S)NC1=CC=CC=C1Cl)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=CC=C3Cl)C","CUYVBNLACRYKJQ-QKPCRAOOSA-N",5905475,NA,"PDBC08473","668485","Present",NA,NA
+"8474","1-(2-Chlorophenyl)-3-pyridin-2-ylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK164730",NA,"C1=CC=C(C(=C1)NC(=S)NC2=CC=CC=N2)Cl","ZRDDWFAJQXEXAI-UHFFFAOYSA-N",972361,NA,"PDBC08474","695051","Present",NA,NA
+"8475","1-(2-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4Cl","NMTHEQHYUCNJIO-UHFFFAOYSA-N",361998,NA,"PDBC08475","625477","Present",NA,NA
+"8476","1-(2-Chlorophenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5Cl","HLPSPPPEQFZLSA-UHFFFAOYSA-N",399099,NA,"PDBC08476","709515","Present",NA,NA
+"8477","1-(2-Chlorophenyl)-6-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline",NA,"COC1=CC2=C(CN3C(SCC3=N2)C4=CC=CC=C4Cl)C=C1","NSSLECAIIYELJZ-UHFFFAOYSA-N",400619,NA,"PDBC08477","712741","Present",NA,NA
+"8478","1-(2-Chlorophenyl)-7-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chlorophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline",NA,"COC1=CC2=C(C=C1)N=C3CSC(N3C2)C4=CC=CC=C4Cl","HCTREMGMQOGJBD-UHFFFAOYSA-N",400618,NA,"PDBC08478","712740","Present",NA,NA
+"8479","1-(2-Cyanoethyl)-1-[2-[2-cyanoethyl(phenylcarbamoyl)amino]ethyl]-3-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Cyanoethyl)-1-[2-[2-cyanoethyl(phenylcarbamoyl)amino]ethyl]-3-phenyl-urea",NA,"C1=CC=C(C=C1)NC(=O)N(CCC#N)CCN(CCC#N)C(=O)NC2=CC=CC=C2","LQFYGAHPGDBUDF-UHFFFAOYSA-N",393256,NA,"PDBC08479","694883","Present",NA,NA
+"8480","1-(2-Cyanoethyl)-1-[4-[2-cyanoethyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Cyanoethyl)-1-[4-[2-cyanoethyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea",NA,"C1=CC=C(C=C1)NC(=O)N(CCCCN(CCC#N)C(=O)NC2=CC=CC=C2)CCC#N","USJSNNBBVYPZPT-UHFFFAOYSA-N",393238,NA,"PDBC08480","694865","Present",NA,NA
+"8481","1-(2-Cyanoethyl)-1-ethyl-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Cyanoethyl)-1-ethyl-3-phenylurea",NA,"CCN(CCC#N)C(=O)NC1=CC=CC=C1","JUJAGXRNGHJFAI-UHFFFAOYSA-N",390711,NA,"PDBC08481","688353","Present",NA,NA
+"8482","1-(2-Cyanoethyl)-3-[4-[[2-cyanoethyl(phenyl)carbamoyl]amino]phenyl]-1-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, N',N'''-1,4-phenylenebis[N-(2-cyanoethyl)-N-phenyl-",NA,"C1=CC=C(C=C1)N(CCC#N)C(=O)NC2=CC=C(C=C2)NC(=O)N(CCC#N)C3=CC=CC=C3","KRJJEWLRMNVNFX-UHFFFAOYSA-N",393233,NA,"PDBC08482","694860","Present",NA,NA
+"8483","1-(2-Cyanoethyl)-3-methyl-1-[2-[N-(methylcarbamoyl)anilino]ethyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Cyanoethyl)-3-methyl-1-[2-[N-(methylcarbamoyl)anilino]ethyl]urea",NA,"CNC(=O)N(CCC#N)CCN(C1=CC=CC=C1)C(=O)NC","WAIFPWHBSLTWIP-UHFFFAOYSA-N",390710,NA,"PDBC08483","688352","Present",NA,NA
+"8484","1-(2-Cyanoethyl)-3-methyl-1-[2-[methylcarbamoyl-[2-[N-(methylcarbamoyl)anilino]ethyl]amino]ethyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{2-[1-(2-Cyano-ethyl)-3-methyl-ureido]-ethyl}-3-methyl-1-[2-(3-methyl-1-phenyl-ureido)-ethyl]-urea",NA,"CNC(=O)N(CCC#N)CCN(CCN(C1=CC=CC=C1)C(=O)NC)C(=O)NC","YOYZLJBPNYRVIR-UHFFFAOYSA-N",390717,NA,"PDBC08484","688359","Present",NA,NA
+"8485","1-(2-Cyanoethyl)-3-methyl-1-[3-[N-(methylcarbamoyl)anilino]propyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Cyanoethyl)-3-methyl-1-[3-[N-(methylcarbamoyl)anilino]propyl]urea",NA,"CNC(=O)N(CCCN(C1=CC=CC=C1)C(=O)NC)CCC#N","YHQDVRNMTRKVAH-UHFFFAOYSA-N",390706,NA,"PDBC08485","688348","Present",NA,NA
+"8486","1-(2-Cyanoethyl)-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Cyanoethyl)-1',3,3'-triphenyl[1,1'-ethylenebisurea]",NA,"C1=CC=C(C=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3","TXHVOBZSUFKHPV-UHFFFAOYSA-N",390707,NA,"PDBC08486","688349","Present",NA,NA
+"8487","1-(2-Cyanoethyl)-3-phenyl-1-[2-[phenylcarbamoyl-[2-[N-(phenylcarbamoyl)anilino]ethyl]amino]ethyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-[2-[1-[2-(1,3-Diphenylureido)ethyl]-3-phenylureido]ethyl]-3-phenylureido]propiononitrile",NA,"C1=CC=C(C=C1)NC(=O)N(CCC#N)CCN(CCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4","PXUVKJAMCPOQPX-UHFFFAOYSA-N",390716,NA,"PDBC08487","688358","Present",NA,NA
+"8488","1-(2-Cyanoethyl)-3-phenyl-1-[3-[N-(phenylcarbamoyl)anilino]propyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Cyanoethyl)-3-phenyl-1-[3-[N-(phenylcarbamoyl)anilino]propyl]urea",NA,"C1=CC=C(C=C1)NC(=O)N(CCCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3)CCC#N","SYPKLCOQWFFGPG-UHFFFAOYSA-N",390703,NA,"PDBC08488","688345","Present",NA,NA
+"8489","1-(2-Cyanoethyl)-3-phenyl-1-[3-[phenylcarbamoyl-[3-[N-(phenylcarbamoyl)anilino]propyl]amino]propyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Cyanoethyl)-3-phenyl-1-[3-[phenylcarbamoyl-[3-[N-(phenylcarbamoyl)anilino]propyl]amino]propyl]urea",NA,"C1=CC=C(C=C1)NC(=O)N(CCCN(CCC#N)C(=O)NC2=CC=CC=C2)CCCN(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4","FFEFURPCXNAPCS-UHFFFAOYSA-N",390704,NA,"PDBC08489","688346","Present",NA,NA
+"8490","1-(2-Deoxy-beta-D-Ribofuranosyl)-5-ethynyl-2-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-deoxy-.beta.-d-ribofuranosyl)-5-ethynyl-2-pyrimidinone",NA,"C#CC1=CN(C(=O)N=C1)C2CC(C(O2)CO)O","VXALRNVDFHPLAC-UHFFFAOYSA-N",14326902,NA,"PDBC08490","737451","Present",NA,NA
+"8491","1-(2-Deoxy-beta-D-ribofuranosyl)-5-carbomethoxy-2-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-deoxy-.beta.-d-ribofuranosyl)-5-carbomethoxy-2-pyri...",NA,"COC(=O)C1=CN(C(=O)N=C1)C2CC(C(O2)CO)O","GSXLJRFPFXZXEV-UHFFFAOYSA-N",24205959,NA,"PDBC08491","737453","Present",NA,NA
+"8492","1-(2-Deoxy-beta-D-ribofuranosyl)-5-cyano-2-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-deoxy-.beta.-d-ribofuranosyl)-5-cyano-2-pyrimidinone",NA,"C1C(C(OC1N2C=C(C=NC2=O)C#N)CO)O","AALQVVSPUKUODT-UHFFFAOYSA-N",19869869,NA,"PDBC08492","737452","Present",NA,NA
+"8493","1-(2-Diazoacetyl)-N-methyl-N-phenyl-cyclopropanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-1-{1-[methyl(phenyl)carbamoyl]cyclopropyl}ethenolate",NA,"CN(C1=CC=CC=C1)C(=O)C2(CC2)C(=O)C=[N+]=[N-]","CAEZADPXYXIKNG-UHFFFAOYSA-N",373304,NA,"PDBC08493","649452","Present",NA,NA
+"8494","1-(2-Ethoxy-3-octadecoxypropyl)-1-methylpiperidin-1-ium-4-ol;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Ethoxy-3-(octadecyloxy)propyl]-4-hydroxy-1-methylpiperidinium bromide",NA,"CCCCCCCCCCCCCCCCCCOCC(C[N+]1(CCC(CC1)O)C)OCC.[Br-]","VLRVEDKRWCDQJU-UHFFFAOYSA-M",372658,NA,"PDBC08494","648155","Present",NA,NA
+"8495","1-(2-Ethoxy-5-hydroxy-1-benzofuran-4-yl)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Ethoxy-5-hydroxy-1-benzofuran-4-yl)propan-1-one",NA,"CCC(=O)C1=C(C=CC2=C1C=C(O2)OCC)O","XLFRPHGEFGIFJC-UHFFFAOYSA-N",359528,NA,"PDBC08495","620511","Present",NA,NA
+"8496","1-(2-Ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-ethylphenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine",NA,"CCC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","GTFTUVWVYOUTFW-UHFFFAOYSA-N",244818,NA,"PDBC08496","56030","Present",NA,NA
+"8497","1-(2-Ethylsulfonylethyl)-3,7-dimethyl-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Ethylsulfonylethyl)-3,7-dimethyl-purine-2,6-dione",NA,"CCS(=O)(=O)CCN1C(=O)C2=C(N=CN2C)N(C1=O)C","QVQAXRBJFKOKAA-UHFFFAOYSA-N",387870,NA,"PDBC08497","682079","Present",NA,NA
+"8498","1-(2-Ethynylphenyl)pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Ethynylphenyl)-1H-pyrrole-2,5-dione",NA,"C#CC1=CC=CC=C1N2C(=O)C=CC2=O","BOSCEOCMYDRQOJ-UHFFFAOYSA-N",366008,NA,"PDBC08498","634181","Present",NA,NA
+"8499","1-(2-Fluorobenzyl)-3-methoxy-5-nitro-1h-indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Fluorobenzyl)-3-methoxy-5-nitro-1h-indazole",NA,"COC1=NN(C2=C1C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3F","ZKVBUVHEILDNMG-UHFFFAOYSA-N",386341,NA,"PDBC08499","678124","Present",NA,NA
+"8500","1-(2-Fluoroethyl)-1-nitroso-3-(tetrahydro-2H-thiopyran-4-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"urea, n-(2-fluoroethyl)-n-nitroso-n'-(tetrahydro-2h-thio...",NA,"C1CSCCC1NC(=O)N(CCF)N=O","RASQWFNMYUIFFE-UHFFFAOYSA-N",97301,NA,"PDBC08500","114459","Present",NA,NA
+"8501","1-(2-Fluoroethyl)-3-(2-norbornyl)-1-nitrosourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"urea, 1-(2-fluoroethyl)-1-nitroso-3-(2-norbornyl)- (8ci)",NA,"C1CC2CC1CC2NC(=O)N(CCF)N=O","LESTWYVGWLZSMR-UHFFFAOYSA-N",98254,NA,"PDBC08501","93492","Present",NA,NA
+"8502","1-(2-Fluorophenyl)-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Fluorophenyl)-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline",NA,"C1C2=CC=CC=C2N=C3N1C(SC3)C4=CC=CC=C4F","BXYGTAGKUYHPEC-UHFFFAOYSA-N",395895,NA,"PDBC08502","700990","Present",NA,NA
+"8503","1-(2-Fluorophenyl)-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Fluorophenyl)-3-(2-thioxo-3H-1,3-benzothiazol-6-yl)urea",NA,"C1=CC=C(C(=C1)NC(=O)NC2=CC3=C(C=C2)NC(=S)S3)F","XXZCEVYIMOVDGT-UHFFFAOYSA-N",3003893,NA,"PDBC08503","213989","Present",NA,NA
+"8504","1-(2-Furyl)-1-tridecanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Furyl)-1-tridecanol",NA,"CCCCCCCCCCCCC(C1=CC=CO1)O","KWSOXPPLWZODNZ-UHFFFAOYSA-N",15721351,NA,"PDBC08504","732215","Present",NA,NA
+"8505","1-(2-Furyl)-2,4-bis(2-thienyl)butane-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Furyl)-2,4-di(2-thienyl)-1,4-butanedione",NA,"C1=COC(=C1)C(=O)C(CC(=O)C2=CC=CS2)C3=CC=CS3","QJOMSKUEHJUFJQ-UHFFFAOYSA-N",395489,NA,"PDBC08505","700131","Present",NA,NA
+"8506","1-(2-Hydroxy-3-methoxy-5-methylphenyl)-3-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxy-3-methoxy-5-methylphenyl)-3-phenylprop-2-en-1-one",NA,"CC1=CC(=C(C(=C1)OC)O)C(=O)C=CC2=CC=CC=C2","YDTZQVNVCMFHSQ-CMDGGOBGSA-N",5356385,NA,"PDBC08506","55798","Present",NA,NA
+"8507","1-(2-Hydroxy-4,6-dimethoxyphenyl)-1,3-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxy-4,6-dimethoxyphenyl)-1,3-butanedione",NA,"CC(=O)CC(=O)C1=C(C=C(C=C1OC)OC)O","HSRZGMDZNNYWBS-UHFFFAOYSA-N",365039,NA,"PDBC08507","631974","Present",NA,NA
+"8508","1-(2-Hydroxy-5-phenylphenyl)-N,N-dimethylmethanamine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Dimethylnitroryl)methyl]biphenyl-4-ol",NA,"C[N+](C)(CC1=C(C=CC(=C1)C2=CC=CC=C2)O)[O-]","ZVUMFYPRCOOMFA-UHFFFAOYSA-N",224948,NA,"PDBC08508","13816","Present",NA,NA
+"8509","1-(2-Hydroxybenzoyl)-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxybenzoyl)-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C(=O)C3=CC=CC=C3O","MZQWCAPKLLGVAL-XNTDXEJSSA-N",135499335,NA,"PDBC08509","652177","Present",NA,NA
+"8510","1-(2-Hydroxybenzoyl)-3-methyl-4-(4-methoxybenzylidene)-1H-pyrazole-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxybenzoyl)-3-methyl-4-(4-methoxybenzylidene)-1H-pyrazole-5(4H)-one",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC)C(=O)C3=CC=CC=C3O","LZEFZWQMDTZXAX-LFIBNONCSA-N",5351408,NA,"PDBC08510","652174","Present",NA,NA
+"8511","1-(2-Hydroxyethoxymethyl)-3-prop-2-enylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Hydroxyethoxy)methyl]-3-(prop-2-en-1-yl)pyrimidine-2,4(1h,3h)-dione",NA,"C=CCN1C(=O)C=CN(C1=O)COCCO","YUDXCRDKHLGDQD-UHFFFAOYSA-N",386537,NA,"PDBC08511","678969","Present",NA,NA
+"8512","1-(2-Hydroxyethoxymethyl)-5-methyl-3-prop-2-enylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Hydroxyethoxy)methyl]-5-methyl-3-(prop-2-en-1-yl)pyrimidine-2,4(1h,3h)-dione",NA,"CC1=CN(C(=O)N(C1=O)CC=C)COCCO","OPNTXICHYNCWEN-UHFFFAOYSA-N",386539,NA,"PDBC08512","678971","Present",NA,NA
+"8513","1-(2-Hydroxyethyl)-1-(prop-2-en-1-yl)-2-tridecyl-4,5-dihydro-1H-imidazol-1-ium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyethyl)-1-(prop-2-en-1-yl)-2-tridecyl-4,5-dihydro-1H-imidazol-1-ium chloride",NA,"CCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC=C.[Cl-]","QDSGRJYOUGDFOE-UHFFFAOYSA-M",24183908,NA,"PDBC08513","31706","Present",NA,NA
+"8514","1-(2-Hydroxyethyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxyethyl)-1-[2-oxo-6-phenyl-4-(trifluoromethyl)-1h-pyridin-3-yl]urea",NA,"C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)NC(=O)NCCO)C(F)(F)F","TUWIDVJESWSRIO-UHFFFAOYSA-N",397738,NA,"PDBC08514","706161","Present",NA,NA
+"8515","1-(2-Hydroxyethyl)-3-methoxy-2-methylpyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyethyl)-3-methoxy-2-methylpyridin-4-one",NA,"CC1=C(C(=O)C=CN1CCO)OC","DRIHXDIRNKVFMV-UHFFFAOYSA-N",336938,NA,"PDBC08515","353265","Present",NA,NA
+"8516","1-(2-Hydroxyethyl)-4-(tetrahydro-2H-pyran-2-ylamino)-2(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyethyl)-4-(tetrahydro-2H-pyran-2-ylamino)-2(1H)-pyrimidinone",NA,"C1CCOC(C1)NC2=NC(=O)N(C=C2)CCO","GQFIIIIRKYCONY-UHFFFAOYSA-N",367647,NA,"PDBC08516","637525","Present",NA,NA
+"8517","1-(2-Hydroxyethyl)-4-(tritylamino)pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyethyl)-4-(tritylamino)pyrimidin-2-one",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCO","WTCLIRHSFPFRAG-UHFFFAOYSA-N",368675,NA,"PDBC08517","639793","Present",NA,NA
+"8518","1-(2-Hydroxyethyl)-5-[(2,2,2-trifluoroacetyl)amino]imidazole-4-carboximidoyl cyanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyethyl)-5-[(2,2,2-trifluoroacetyl)amino]imidazole-4-carboximidoyl cyanide",NA,"C1=NC(=C(N1CCO)NC(=O)C(F)(F)F)C(=N)C#N","BQEFZOQOPWCLLW-UHFFFAOYSA-N",382610,NA,"PDBC08518","670251","Present",NA,NA
+"8519","1-(2-Hydroxyethylamino)-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyethylamino)-3-[(E)-(4-hydroxyphenyl)methylideneamino]urea;oxalic acid",NA,"C1=CC(=CC=C1C=NNC(=O)NNCCO)O.C(=O)(C(=O)O)O","JBAQVVDBBDRUSB-RRAJOLSVSA-N",135509173,NA,"PDBC08519","666459","Present",NA,NA
+"8520","1-(2-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5O","LJEATZMVKVKOFJ-UHFFFAOYSA-N",380667,NA,"PDBC08520","666361","Present",NA,NA
+"8521","1-(2-Hydroxyphenyl)-5-phenyl-1,4-pentadien-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyphenyl)-5-phenyl-1,4-pentadien-3-one",NA,"C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2O","FDFRSFSHWUDRTJ-DCIPZJNNSA-N",5904790,NA,"PDBC08521","636788","Present",NA,NA
+"8522","1-(2-Hydroxypropyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxypropyl)-1-[2-oxo-6-phenyl-4-(trifluoromethyl)-1h-pyridin-3-yl]urea",NA,"CC(CNC(=O)NC1=C(C=C(NC1=O)C2=CC=CC=C2)C(F)(F)F)O","GMLUKWBSFRTUCR-UHFFFAOYSA-N",397739,NA,"PDBC08522","706162","Present",NA,NA
+"8523","1-(2-Imidazol-1-ylethyl)benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Imidazol-1-ylethyl)benzimidazole",NA,"C1=CC=C2C(=C1)N=CN2CCN3C=CN=C3","SQHLVTLZGNYQEK-UHFFFAOYSA-N",381650,NA,"PDBC08523","668469","Present",NA,NA
+"8524","1-(2-Imidazolin-2-ylmethyl)-2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,5-Dihydro-1H-imidazol-2-ylmethyl)-2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepine",NA,"CC1C=C(C2=CC=CC=C2N(C1C)CC3=NCCN3)C","JPTHAHKJDYSVKJ-UHFFFAOYSA-N",379690,NA,"PDBC08524","664565","Present",NA,NA
+"8525","1-(2-Iodo-1-(4-methoxyphenyl)-2-phenylvinyl)-4-methoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Iodo-1-(4-methoxyphenyl)-2-phenylvinyl)-4-methoxybenzene",NA,"COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)I)C3=CC=C(C=C3)OC","UGBCVDIGSLYABR-UHFFFAOYSA-N",384602,NA,"PDBC08525","674614","Present",NA,NA
+"8526","1-(2-Iodylphenyl)pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-iodylphenyl)pyrrolidin-2-one",NA,"C1CC(=O)N(C1)C2=CC=CC=C2I(=O)=O","NOGNVOSXKAINSE-UHFFFAOYSA-N",24205924,NA,"PDBC08526","737261","Present",NA,NA
+"8527","1-(2-Methoxy-5-methylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxy-5-methylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]thiourea",NA,"CC1=CC(=C(C=C1)OC)NC(=S)NN=CC2=CC=C(C=C2)OC","MWXCSPXTLQOAJT-WOJGMQOQSA-N",9572440,NA,"PDBC08527","716181","Present",NA,NA
+"8528","1-(2-Methoxy-5-methylphenyl)-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxy-5-methylphenyl)-3-[(E)-(4-methylsulfanylphenyl)methylideneamino]thiourea",NA,"CC1=CC(=C(C=C1)OC)NC(=S)NN=CC2=CC=C(C=C2)SC","RYBSUMZQGTWHSI-WOJGMQOQSA-N",9572439,NA,"PDBC08528","716180","Present",NA,NA
+"8529","1-(2-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridine, 9-[(4-chlorophenyl)hydrazino]-2-methoxy- 6-n...",NA,"COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=C(C=C4)Cl","PFOKMOALFBOTCS-UHFFFAOYSA-N",4267516,NA,"PDBC08529","689873","Present",NA,NA
+"8530","1-(2-Methoxy-6-nitroacridin-9-yl)-2-(4-nitrophenyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridine, 9-[(4-nitrophenyl)hydrazino]-2-methoxy- 6-ni...",NA,"COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=C(C=C4)[N+](=O)[O-]","LLXIGXZMMNBPFW-UHFFFAOYSA-N",5142005,NA,"PDBC08530","689874","Present",NA,NA
+"8531","1-(2-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-",NA,"COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=CC=C4","WGFIQRJRSMXFIZ-UHFFFAOYSA-N",3734221,NA,"PDBC08531","689872","Present",NA,NA
+"8532","1-(2-Methoxyethoxymethoxy)-4-phenylmethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxyethoxymethoxy)-4-phenylmethoxybenzene",NA,"COCCOCOC1=CC=C(C=C1)OCC2=CC=CC=C2","HCCHMPGTHDZHEN-UHFFFAOYSA-N",358352,NA,"PDBC08532","618319","Present",NA,NA
+"8533","1-(2-Methoxyphenyl)-1-methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-methoxyphenyl)-...",NA,"CC1(N2C(=NC3=CC=CC=C32)CS1)C4=CC=CC=C4OC","ZDBBSXMWUWJPBR-UHFFFAOYSA-N",374970,NA,"PDBC08533","653685","Present",NA,NA
+"8534","1-(2-Methoxyphenyl)-3-(6-methyl-2-pyridyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxyphenyl)-3-(6-methyl-2-pyridyl)thiourea",NA,"CC1=NC(=CC=C1)NC(=S)NC2=CC=CC=C2OC","FWWXHDXTNPJKNG-UHFFFAOYSA-N",3001925,NA,"PDBC08534","695055","Present",NA,NA
+"8535","1-(2-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,"COC1=CC=CC=C1NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","BIZMHLGKKPPDJF-UHFFFAOYSA-N",3005270,NA,"PDBC08535","687867","Present",NA,NA
+"8536","1-(2-Methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,"CC1=NC(=CC=C1)C=NNC(=S)NC2=CC=CC=C2OC","NPLDVFDLXXEHQN-MHWRWJLKSA-N",9571481,NA,"PDBC08536","670962","Present",NA,NA
+"8537","1-(2-Methoxyphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxyphenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,"COC1=CC=CC=C1NC(=S)NN=CC2=CC=CC=N2","DOVQMBJFJCZODZ-MHWRWJLKSA-N",9554753,NA,"PDBC08537","668298","Present",NA,NA
+"8538","1-(2-Methoxyphenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxyphenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,"CC(=NNC(=S)NC1=CC=CC=C1OC)C2=CC=CC=N2","PHYCOZLZEUMCBU-WQRHYEAKSA-N",5367237,NA,"PDBC08538","668297","Present",NA,NA
+"8539","1-(2-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(2-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea",NA,"CC(=NNC(=S)NC1=CC=CC=C1OC)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=CC=C3OC)C","SDKLFDOIAQBKJQ-MALYEEFDSA-N",5869044,NA,"PDBC08539","668491","Present",NA,NA
+"8540","1-(2-Methoxyphenyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxyphenyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea",NA,"COC1=CC=CC=C1NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","GCSKJVXUKXNQHK-NMWGTECJSA-N",5907304,NA,"PDBC08540","668331","Present",NA,NA
+"8541","1-(2-Methoxyphenyl)-3-[10-[3-(2-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-10-oxo-decanoyl]-2-thioxo-hexahydropyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxyphenyl)-3-[10-[3-(2-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-10-oxodecanoyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"COC1=CC=CC=C1N2C(=O)CC(=O)N(C2=S)C(=O)CCCCCCCCC(=O)N3C(=O)CC(=O)N(C3=S)C4=CC=CC=C4OC","CTRZCGRTYPRVIA-UHFFFAOYSA-N",395654,NA,"PDBC08541","700436","Present",NA,NA
+"8542","1-(2-Methoxyphenyl)-3-pyridin-2-ylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK135281",NA,"COC1=CC=CC=C1NC(=S)NC2=CC=CC=N2","BHHLCPFNFSARSO-UHFFFAOYSA-N",706957,NA,"PDBC08542","695052","Present",NA,NA
+"8543","1-(2-Methyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methyl-1,8a-dihydroimidazo[1,2-a]pyridin-3-yl)ethanone",NA,"CC1=C(N2C=CC=CC2N1)C(=O)C","YQFNXDATLXFZMN-UHFFFAOYSA-N",374036,NA,"PDBC08543","651215","Present",NA,NA
+"8544","1-(2-Methyl-4-oxo-3-phenyl-quinazolin-6-yl)-3-phenyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methyl-4-oxo-3-phenyl-quinazolin-6-yl)-3-phenyl-thiourea",NA,"CC1=NC2=C(C=C(C=C2)NC(=S)NC3=CC=CC=C3)C(=O)N1C4=CC=CC=C4","WPIXMQWRMDCHEW-UHFFFAOYSA-N",3005171,NA,"PDBC08544","679219","Present",NA,NA
+"8545","1-(2-Methyl-5-nitro-1h-imidazol-1-yl)-3-(3-nitro-1h-1,2,4-triazol-1-yl)propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-hydroxy-3-(2-methyl-5-nitroimidazolyl)-propyl]-3-n...",NA,"CC1=NC=C(N1CC(CN2C=NC(=N2)[N+](=O)[O-])O)[N+](=O)[O-]","VWRCFCMUUYLSDU-UHFFFAOYSA-N",371294,NA,"PDBC08545","645369","Present",NA,NA
+"8546","1-(2-Methyl-5-propan-2-ylphenyl)-3-(4-nitrophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Methyl-5-(propan-2-yl)phenyl]-3-(4-nitrophenyl)urea",NA,"CC1=C(C=C(C=C1)C(C)C)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]","MWOGFXQEYSUZBC-UHFFFAOYSA-N",240350,NA,"PDBC08546","46492","Present",NA,NA
+"8547","1-(2-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"CC1=CC=CC=C1C2N3C(=NC4=CC=CC=C43)CS2","ZTMUGRMOFPWTFX-UHFFFAOYSA-N",362616,NA,"PDBC08547","626757","Present",NA,NA
+"8548","1-(2-Naphthalenyl)-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE11486",NA,"C1=CC=C2C=C(C=CC2=C1)N3C(=O)C=CC3=O","ISPTVBCAVIHHEF-UHFFFAOYSA-N",243251,NA,"PDBC08548","52627","Present",NA,NA
+"8549","1-(2-Naphthyl)-1-chloro-1-propenyl-3-(3-methylphenyl)-imino chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-naphthyl)-1-chloro-1-propenyl-3-(3-methylphenyl)-im...",NA,"CC1=CC(=CC=C1)N=CC=C(C2=CC3=CC=CC=C3C=C2)Cl.Cl","GUYSJNIZVGBVPA-VYAKPLSASA-N",5473042,NA,"PDBC08549","723527","Present",NA,NA
+"8550","1-(2-Naphthyl)-1-chloro-1-propenyl-3-(4-iodophenyl)-imino chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-naphthyl)-1-chloro-1-propenyl-3-(4-iodophenyl)-imin...",NA,"C1=CC=C2C=C(C=CC2=C1)C(=CC=NC3=CC=C(C=C3)I)Cl.Cl","CJKRYMHFLVYKHG-MQGQIZMRSA-N",5473040,NA,"PDBC08550","723526","Present",NA,NA
+"8551","1-(2-Naphthyl)-1-chloro-1-propenyl-3-N,N-(dimethyl)-imino chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-naphthyl)-1-chloro-1-propenyl-3-N,N-(dimethyl)-imin...",NA,"C[N+](=CC=C(C1=CC2=CC=CC=C2C=C1)Cl)C.[Cl-]","UEOLWKCQLMAJFN-SOCRLDLMSA-M",5473036,NA,"PDBC08551","723524","Present",NA,NA
+"8552","1-(2-Naphthyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(naphthalen-2-yl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC=CN2C3=CC4=CC=CC=C4C=C3","QHLHXSSILZPKFF-UHFFFAOYSA-N",11639084,NA,"PDBC08552","736994","Present",NA,NA
+"8553","1-(2-Naphthyl)-3-(4-carbethoxyphenyl)imino-1-propenyl-1-(4-c arbethoxyphenyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-naphthyl)-3-(4-carbethoxyphenyl)imino-1-propenyl-1-...",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=CC=NC2=CC=C(C=C2)C(=O)OCC)C3=CC4=CC=CC=C4C=C3.Cl","CIKQDGRNVAFCSR-NFBXXFPWSA-N",5473044,NA,"PDBC08553","723528","Present",NA,NA
+"8554","1-(2-Naphthyl)-3-iminophenyl-1-propenyl-1-phenylamino hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-naphthyl)-3-iminophenyl-1-propenyl-1-phenylamino hy...",NA,"C1=CC=C(C=C1)NC(=CC=NC2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3.Cl","XOOXEZBTDAAAQY-UWXCJXMQSA-N",5473046,NA,"PDBC08554","723529","Present",NA,NA
+"8555","1-(2-Naphthyl)ethanonethiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-[1-(2-naphthalenyl)ethylidene]-",NA,"CC(=NNC(=S)N)C1=CC2=CC=CC=C2C=C1","PMXAAMWMXCVPGX-DHDCSXOGSA-N",5418163,NA,"PDBC08555","204686","Present",NA,NA
+"8556","1-(2-Naphtyl)-1-chloro-1-propenyl-3-(4-carbethoxyphenyl)-imi no chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-naphtyl)-1-chloro-1-propenyl-3-(4-carbethoxyphenyl)...",NA,"CCOC1=CC=C(C=C1)N=CC=C(C2=CC3=CC=CC=C3C=C2)Cl.Cl","FNQSTWUORACNCU-LEWFWPQISA-N",5473038,NA,"PDBC08556","723525","Present",NA,NA
+"8557","1-(2-Nitrophenyl)piperidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-87029",NA,"C1CCN(C(C1)C(=O)O)C2=CC=CC=C2[N+](=O)[O-]","DIIOPDWAPOGYKM-UHFFFAOYSA-N",362871,NA,"PDBC08557","627277","Present",NA,NA
+"8558","1-(2-Oxo-2-pyridin-3-ylethyl)-3-phenylquinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Oxo-2-pyridin-3-ylethyl)-3-phenylquinoxalin-2-one",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CC(=O)C4=CN=CC=C4","NYUOJKXXJKFQDZ-UHFFFAOYSA-N",11975301,NA,"PDBC08558","734785","Present",NA,NA
+"8559","1-(2-Oxo-3-(phenylsulfonyl)propyl)-2-pyrrolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Oxo-3-(phenylsulfonyl)propyl)-2-pyrrolidinone",NA,"C1CC(=O)N(C1)CC(=O)CS(=O)(=O)C2=CC=CC=C2","DJIUNCBXGRIUEX-UHFFFAOYSA-N",373301,NA,"PDBC08559","649450","Present",NA,NA
+"8560","1-(2-Oxoindolin-3-ylidene)-4-propylthiosemicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Oxoindolin-3-ylidene)-4-propylthiosemicarbazide",NA,"CCCNC(=S)N=NC1=C(NC2=CC=CC=C21)O","ZCFOCMSKXQEFJD-UHFFFAOYSA-N",3005056,NA,"PDBC08560","668492","Present",NA,NA
+"8561","1-(2-Phenoxyethyl)-5-(3-methylphenylamino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Phenoxyethyl)-5-(3-methylphenylamino)uracil",NA,"CC1=CC(=CC=C1)NC2=CN(C(=O)NC2=O)CCOC3=CC=CC=C3","IQIGZIXMRTXMAB-UHFFFAOYSA-N",395057,NA,"PDBC08561","699246","Present",NA,NA
+"8562","1-(2-Phenoxyethyl)-5-(phenylamino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Phenoxyethyl)-5-(phenylamino)uracil",NA,"C1=CC=C(C=C1)NC2=CN(C(=O)NC2=O)CCOC3=CC=CC=C3","AQOGJODFUGMEFN-UHFFFAOYSA-N",395054,NA,"PDBC08562","699243","Present",NA,NA
+"8563","1-(2-Phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,"PDBC08563","671954","Present",NA,NA
+"8564","1-(2-Phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-thienyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Phenyl-1,3,2,4-dioxaboralumetan-4-yl)-1-[(Z)-1-(2-thienyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,"PDBC08564","671953","Present",NA,NA
+"8565","1-(2-Phenyl-5-(1-piperidinyl)pentyl)cyclopentanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Phenyl-5-(1-piperidinyl)pentyl)cyclopentanecarboxylic acid",NA,"C1CCN(CC1)CCCC(CC2(CCCC2)C(=O)O)C3=CC=CC=C3","OMGWSFIOYLICKQ-UHFFFAOYSA-N",380031,NA,"PDBC08565","665326","Present",NA,NA
+"8566","1-(2-Phenylethyl)-1,2,4-triazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641539",NA,"C1=CC=C(C=C1)CCN2C=NC=N2.Cl","PCSBBAZZJJMEEO-UHFFFAOYSA-N",369627,NA,"PDBC08566","641539","Present",NA,NA
+"8567","1-(2-Phenylethyl)pyridin-1-ium-3-carbohydrazide;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Phenylethyl)pyridin-1-ium-3-carbohydrazide;bromide",NA,"C1=CC=C(C=C1)CC[N+]2=CC=CC(=C2)C(=O)NN.[Br-]","NLYLGDCXCCUQCC-UHFFFAOYSA-N",5351725,NA,"PDBC08567","26904","Present",NA,NA
+"8568","1-(2-Phenylethynyl)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Phenylethynyl)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene",NA,"C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CC3=CC=C(C=C3)C(F)(F)F","WGAZGCYXOJDUCI-UHFFFAOYSA-N",24203204,NA,"PDBC08568","727176","Present",NA,NA
+"8569","1-(2-Piperidin-2-ylethyl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_000328",NA,"C1CCN(CC1)CCC2CCCCN2","SKMHPZXWMNAWGC-UHFFFAOYSA-N",296291,NA,"PDBC08569","166302","Present",NA,NA
+"8570","1-(2-Propynyl)-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Prop-2-yn-1-yl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione",NA,"C#CCN1C2=C(C=CC=N2)C(=O)NC1=O","SEDDJNQPTKBSCP-UHFFFAOYSA-N",363805,NA,"PDBC08570","629019","Present",NA,NA
+"8571","1-(2-Pyridinyl)ethanone N-cyclopentylthiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670783",NA,"CC(=NNC(=S)NC1CCCC1)C2=CC=CC=N2","VLBWJLNPSKLPBI-MHWRWJLKSA-N",5494341,NA,"PDBC08571","670783","Present",NA,NA
+"8572","1-(2-Pyridylazo)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pan (van)",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC=N3)O","LLYOXZQVOKALCD-UHFFFAOYSA-N",6825,NA,"PDBC08572","5332","Present",NA,NA
+"8573","1-(2-Quinolinylmethyl)-2-[2-(2-methoxyethoxy)ethoxymethyl]-3-(2-naphthylmethyl)-1H-benzoimidazole-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(2-methoxyethoxy)ethoxy)methyl)-1-(naphthalen-2-yl...",NA,"COCCOCCOCC1=[N+](C2=CC=CC=C2N1CC3=NC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","QDUXPUPOBLWAQP-UHFFFAOYSA-N",132547213,NA,"PDBC08573","791106","Present",NA,NA
+"8574","1-(2-Thiazolylazo)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-thiazoylazo)-2-naphthol",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=NC=CS3)O","IOMXCGDXEUDZAK-UHFFFAOYSA-N",93572,NA,"PDBC08574","139021","Present",NA,NA
+"8575","1-(2-Thienyl)-2,4-di(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Thienyl)-2,4-di(3-thienyl)-1,4-butanedione",NA,"C1=CSC(=C1)C(=O)C(CC(=O)C2=CSC=C2)C3=CSC=C3","UJIZUKHHTVTWMC-UHFFFAOYSA-N",376713,NA,"PDBC08575","657759","Present",NA,NA
+"8576","1-(2-Thienyl)-4-[(4-phenylthiazole-2-yl)amino]-1-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Phenyl-1,3-thiazol-2-yl)amino]-1-thiophen-2-ylbutan-1-one",NA,"C1=CC=C(C=C1)C2=CSC(=N2)NCCCC(=O)C3=CC=CS3","OJAPDEHYUWRWCP-UHFFFAOYSA-N",393773,NA,"PDBC08576","696458","Present",NA,NA
+"8577","1-(2-{(2Z)-2-[2-[(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-1-(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-2-oxoethylidene]hydrazino}-2-oxoethyl)pyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-N-(3-Chloro-1,4-dihydroxynaphthalen-2-yl)-2-(7-hydroxy-2,4-dioxochromen-3-ylidene)-2-[(2-pyridin-1-ium-1-ylacetyl)diazenyl]acetamide;chloride",NA,"C1=CC=[N+](C=C1)CC(=O)N=NC(=C2C(=O)C3=C(C=C(C=C3)O)OC2=O)C(=O)NC4=C(C5=CC=CC=C5C(=C4Cl)O)O.[Cl-]","ZZWLNTFVXDIUAL-UHFFFAOYSA-N",135483951,NA,"PDBC08577","649826","Present",NA,NA
+"8578","1-(2-{2-[(2Z)-3-(1,3-Benzodioxol-5-yl)-2-(benzoylamino)prop-2-enoyl]hydrazino}-2-oxoethyl)pyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-(1,3-Benzodioxol-5-yl)-3-oxo-3-[2-(2-pyridin-1-ium-1-ylacetyl)hydrazinyl]prop-1-en-2-yl]benzamide;chloride",NA,"C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NNC(=O)C[N+]3=CC=CC=C3)NC(=O)C4=CC=CC=C4.[Cl-]","GFFGPNOPBSYXKX-OKOHOLKASA-N",6474137,NA,"PDBC08578","642618","Present",NA,NA
+"8579","1-(2-{2-[3-(4,5-Dichloro-3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)propanoyl]hydrazino}-2-oxoethyl)pyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N'-(2-pyridin-1-ium-1-ylacetyl)propanehydrazide",NA,"C1=CC=[N+](C=C1)CC(=O)NNC(=O)CCN2C(=O)C(=C(C(=O)N2)Cl)Cl.[Cl-]","PDIZYSBKMAVKFG-UHFFFAOYSA-N",364805,NA,"PDBC08579","631564","Present",NA,NA
+"8580","1-(2H-1,3-Benzothiazol-3-yl)-N-[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2H-1,3-Benzothiazol-3-yl)-N-[(2R)-3-methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]methanimine",NA,"CC(C)C(COC(C)(C)C)N=CN1CSC2=CC=CC=C21","BFDOIKVDQVSVGE-AWEZNQCLSA-N",359179,NA,"PDBC08580","619861","Present",NA,NA
+"8581","1-(2H-Chromen-3-yl)-3-phenyl-prop-2-yn-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propyn-1-one, 1-(2H-1-benzopyran-3-yl)-3-phenyl-",NA,"C1C(=CC2=CC=CC=C2O1)C(=O)C#CC3=CC=CC=C3","ZYFJCSFYKVNKSF-UHFFFAOYSA-N",333501,NA,"PDBC08581","334717","Present",NA,NA
+"8582","1-(3'-(1-(2-Morpholinoethyl)-1H-pyrazol-3-yl)biphenyl-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3'-{1-[2-(4-morpholinyl)ethyl]-1H-pyrazol-3-yl}-3-bip...",NA,"CC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)C3=NN(C=C3)CCN4CCOCC4","SLRQICGVSRRRDI-UHFFFAOYSA-N",29182137,NA,"PDBC08582","765370","Present",NA,NA
+"8583","1-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-2-thioxo-hexahydropyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-2-thioxo-hexahydropyrimidin-4-one",NA,"C1CN(C(=S)NC1=O)CCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F","GKEUYQGSCFJUCA-UHFFFAOYSA-N",3004457,NA,"PDBC08583","656704","Present",NA,NA
+"8584","1-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]urea",NA,"C(CNC(=O)NC1C(C(C(C(O1)CO)O)O)O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","QIDHQCANKQTGNH-UHFFFAOYSA-N",381245,NA,"PDBC08584","667649","Present",NA,NA
+"8585","1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea",NA,"C(CNC(=S)NC1C(C(C(C(O1)CO)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","VJOQVDIWHZMJQJ-UHFFFAOYSA-N",3005010,NA,"PDBC08585","667647","Present",NA,NA
+"8586","1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylsulfanylmethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylsulfanylmethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea",NA,"C(CSCNC(=S)NC1C(C(C(C(O1)CO)O)O)O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","IFIJMYQOIRJDHF-UHFFFAOYSA-N",3005009,NA,"PDBC08586","667646","Present",NA,NA
+"8587","1-(3,3-Dimethylbut-1-ynyl)-1$l^{3},2-benziodoxol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,3-Dimethyl-1-butynyl)-1,2-benziodoxol-3(1H)-one",NA,"CC(C)(C)C#CI1C2=CC=CC=C2C(=O)O1","RURXVEGVOXUPMU-UHFFFAOYSA-N",392250,NA,"PDBC08587","692391","Present",NA,NA
+"8588","1-(3,3-Dimethylbutyl)-3-(2-fluoro-4-methyl-5-(7-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-6-yl)phenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781761///NSC801010",NA,"CC1=CC(=C(C=C1C2=C(N=C3C(=C2)C=NC(=N3)NC)C)NC(=O)NCCC(C)(C)C)F","HHCBMISMPSAZBF-UHFFFAOYSA-N",71721540,NA,"PDBC08588","781761///801010","Present",NA,NA
+"8589","1-(3,4,5-Trihydroxytetrahydropyran-2-yl)-3-[6-[(3,4,5-trihydroxytetrahydropyran-2-yl)carbamoylamino]hexyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4,5-Trihydroxyoxan-2-yl)-3-[6-[(3,4,5-trihydroxyoxan-2-yl)carbamoylamino]hexyl]urea",NA,"C1C(C(C(C(O1)NC(=O)NCCCCCCNC(=O)NC2C(C(C(CO2)O)O)O)O)O)O","FDBRPNHUDYLQCO-UHFFFAOYSA-N",361623,NA,"PDBC08589","624808","Present",NA,NA
+"8590","1-(3,4,5-Trimethoxyphenyl)-2,5-bis(4-methoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-bis(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-i...",NA,"COC1=CC=C(C=C1)C2=CN=C(N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)OC","IPAXFBGCELZYGL-UHFFFAOYSA-N",11408209,NA,"PDBC08590","735356","Present",NA,NA
+"8591","1-(3,4,5-Trimethoxyphenyl)-2-(2-naphthyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole",NA,"COC1=CC(=CC(=C1OC)OC)N2C=CN=C2C3=CC4=CC=CC=C4C=C3","NJSASTDWMGNLHN-UHFFFAOYSA-N",11559546,NA,"PDBC08591","736993","Present",NA,NA
+"8592","1-(3,4,5-Trimethoxyphenyl)-2-(4-methoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole",NA,"COC1=CC=C(C=C1)C2=NC=CN2C3=CC(=C(C(=C3)OC)OC)OC","NRFSVLJKNUSJIN-UHFFFAOYSA-N",11233092,NA,"PDBC08592","735355","Present",NA,NA
+"8593","1-(3,4,5-Trimethoxyphenyl)-5-(3-fluoro-4-methoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-...",NA,"COC1=C(C=C(C=C1)C2=CN=CN2C3=CC(=C(C(=C3)OC)OC)OC)F","FAISKABSGVBZCD-UHFFFAOYSA-N",11233655,NA,"PDBC08593","736359","Present",NA,NA
+"8594","1-(3,4,5-Trimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole",NA,"COC1=CC=C(C=C1)C2=CN=CN2C3=CC(=C(C(=C3)OC)OC)OC","UJOMKZPXJHLOAT-UHFFFAOYSA-N",11290749,NA,"PDBC08594","733436","Present",NA,NA
+"8595","1-(3,4-Dichlorophenyl)-2-(2-pyridinyl)-4,5-dihydro-2H-benzo[e]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dichloro-phneyl)-2-pyridin-2-yl-4,5-dihydro-2H-be...",NA,"C1CC2=NN(C(=C2C3=CC=CC=C31)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=N5","YXEFMDVGQJQOOB-UHFFFAOYSA-N",7225542,NA,"PDBC08595","735171","Present",NA,NA
+"8596","1-(3,4-Dichlorophenyl)-2-[4-[(1-ethylpiperidin-3-yl)amino]-6-methylpyrimidin-2-yl]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-dichlorophenyl)-3-(4-(1-ethylpiperidin-3-ylamino)...",NA,"CCN1CCCC(C1)NC2=NC(=NC(=C2)C)N=C(N)NC3=CC(=C(C=C3)Cl)Cl.Cl","GALFBGHJLAHJMD-UHFFFAOYSA-N",54610863,NA,"PDBC08596","305761","Present",NA,NA
+"8597","1-(3,4-Dichlorophenyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dichlorophenyl)-3-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)urea",NA,"C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)S(=O)(=O)N)Cl)Cl","TWHYYPIAGPPMKW-UHFFFAOYSA-N",394902,NA,"PDBC08597","698994","Present",NA,NA
+"8598","1-(3,4-Dichlorophenyl)-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC70258",NA,"C1=CC=C(C=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl","QQYLEGFGULSHPX-UHFFFAOYSA-N",250642,NA,"PDBC08598","70258","Present",NA,NA
+"8599","1-(3,4-Dichlorophenyl)-3-tetradecylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dichlorophenyl)-3-tetradecylurea",NA,"CCCCCCCCCCCCCCNC(=O)NC1=CC(=C(C=C1)Cl)Cl","MZEPEDBUXSSGSY-UHFFFAOYSA-N",268086,NA,"PDBC08599","108150","Present",NA,NA
+"8600","1-(3,4-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=C(C=C4)Cl)Cl","IVTOTLGRAFMIKZ-UHFFFAOYSA-N",361694,NA,"PDBC08600","624916","Present",NA,NA
+"8601","1-(3,4-Dichlorophenyl)-4,4-dimethyl-5-(1-piperidinyl)pent-1-en-3-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-Dichlorophenyl)-4,4-dimethyl-5-(1-piperidyl)pent-1-en-3-one",NA,"CC(C)(CN1CCCCC1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl.Cl","XORDGCNYEYBAGN-BXTVWIJMSA-N",6474493,NA,"PDBC08601","640682","Present",NA,NA
+"8602","1-(3,4-Dichlorophenyl)-4-methylpent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dichlorophenyl)-4-methylpent-1-en-3-one",NA,"CC(C)C(=O)C=CC1=CC(=C(C=C1)Cl)Cl","QHYGIPBTAZKCSI-GQCTYLIASA-N",6284815,NA,"PDBC08602","651784","Present",NA,NA
+"8603","1-(3,4-Difluorophenyl)-3-(6-methoxy-1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-difluorophenyl)-3-(6-methoxy-1H-benzo[d]imidazol-...",NA,"COC1=CC2=C(C=C1)N=C(N2)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC(=C(C=C6)F)F","JFCDAUAVPMACJB-UHFFFAOYSA-N",155814521,NA,"PDBC08603","764570","Present",NA,NA
+"8604","1-(3,4-Dihydro-1H-[1,4]selenazino[4,3-a]benzimidazol-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dihydro-1H-[1,4]selenazino[4,3-a]benzimidazol-3-yl)ethanone",NA,"CC(=O)C1CN2C(=NC3=CC=CC=C32)C[Se]1","ANTJZFGQGDDXNO-UHFFFAOYSA-N",362760,NA,"PDBC08604","627020","Present",NA,NA
+"8605","1-(3,4-Dihydroxy-5-methyloxolan-2-yl)-5-fluoro-4-(hexadecylamino)pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dihydroxy-5-methyloxolan-2-yl)-5-fluoro-4-(hexadecylamino)pyrimidin-2-one",NA,"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2C(C(C(O2)C)O)O","CYDFAUMGIFQYHF-UHFFFAOYSA-N",387051,NA,"PDBC08605","680419","Present",NA,NA
+"8606","1-(3,4-Dihydroxyphenyl)-5,6-dimethyl-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-dihydroxybenzyl)-2-(3,4-dihydroxyphenyl)-5,6-dime...",NA,"CC1=CC2=C(C=C1C)N(C(=N2)C3=CC(=C(C=C3)O)O)CC4=CC(=C(C=C4)O)O","KQVRGQYUWPKTKJ-UHFFFAOYSA-N",135585441,NA,"PDBC08606","728197","Present",NA,NA
+"8607","1-(3,4-Dihydroxyphenyl)benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-dihydroxybenzyl)-2-(3,4-dihydroxyphenyl)benzimida...",NA,"C1=CC=C2C(=C1)N=C(N2CC3=CC(=C(C=C3)O)O)C4=CC(=C(C=C4)O)O","VFPPTQXNQGTSLG-UHFFFAOYSA-N",404171,NA,"PDBC08607","720323","Present",NA,NA
+"8608","1-(3,4-Dimethoxybenzhydryl)-5-oxopyrrolidine-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dimethoxybenzhydryl)-5-oxopyrrolidine-2-carboxylic acid methyl ester",NA,"COC1=C(C=C(C=C1)C(C2=CC=CC=C2)N3C(CCC3=O)C(=O)OC)OC","NCBACGVNPSVGJA-UHFFFAOYSA-N",384219,NA,"PDBC08608","673624","Present",NA,NA
+"8609","1-(3,4-Dimethoxybenzylidene)indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-dimethoxybenzylidene)indene",NA,"COC1=C(C=C(C=C1)C=C2C=CC3=CC=CC=C32)OC","HGNGSNBKARRPLI-RVDMUPIBSA-N",5468268,NA,"PDBC08609","666872","Present",NA,NA
+"8610","1-(3,4-Dimethoxyphenyl)-3-(4-(3-(4-(3-(3,4-dimethoxyphenyl)-3-oxo-1-propenyl)phenoxy)propoxy)phenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-Dimethoxyphenyl)-3-[4-[3-[4-[(E)-3-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenoxy]propoxy]phenyl]prop-2-en-1-one",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC(=C(C=C4)OC)OC)OC","YKBYBDNUAFXCAN-XOBNHNQQSA-N",5467690,NA,"PDBC08610","657872","Present",NA,NA
+"8611","1-(3,4-Dimethoxyphenyl)-3-(4-pyridinyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dimethoxyphenyl)-3-(4-pyridinyl)-2-propen-1-one",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC=NC=C2)OC","FLXXEIREWHPHOS-HWKANZROSA-N",5468165,NA,"PDBC08611","665693","Present",NA,NA
+"8612","1-(3,4-Dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenyl)pro...",NA,"COC1=C(C=C(C=C1)C(=O)C(CO)OC2=CC=CC=C2OC)OC","LILXBGDHLUCSNI-UHFFFAOYSA-N",369617,NA,"PDBC08612","641528","Present",NA,NA
+"8613","1-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-2-(4-nitrophenyl)-3-[(4-nitrophenyl)methyl]-2,3-dihydro-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dimethoxyphenyl)-5,6-dimethoxy-2-(4-nitrophenyl)-3-[(4-nitrophenyl)methyl]indane",NA,"COC1=C(C=C(C=C1)C2C(C(C3=CC(=C(C=C23)OC)OC)CC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])OC","JTHMNHQWYMUBOV-UHFFFAOYSA-N",365186,NA,"PDBC08613","632479","Present",NA,NA
+"8614","1-(3,4-Dimethylphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dimethylphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,"CC1=C(C=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)C","CIOOHZQGACKSCX-UHFFFAOYSA-N",3005273,NA,"PDBC08614","687870","Present",NA,NA
+"8615","1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-(3-(4-chloro-3-h...",NA,"C1=CC(=CC=C1NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","PAPFEVGTAKFXTE-UHFFFAOYSA-N",56935330,NA,"PDBC08615","753179","Present",NA,NA
+"8616","1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-(3-(4-chloro-3-m...",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl","BLVCYIOPWLMFNR-UHFFFAOYSA-N",56649612,NA,"PDBC08616","753178","Present",NA,NA
+"8617","1-(3,5-Bis(trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-Bis(trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","BGVYVUAYXACWTA-UHFFFAOYSA-N",366139,NA,"PDBC08617","634466","Present",NA,NA
+"8618","1-(3,5-Di-tert-butyl-1-methyl-4-oxo-2,5-cyclohexadien-1-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-Di-tert-butyl-1-methyl-4-oxo-2,5-cyclohexadien-1-yl)-4-phenyl-1,2,4-triazolidine-3,5-dione",NA,"CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)N2C(=O)N(C(=O)N2)C3=CC=CC=C3","MCIYOVPACWHTHE-UHFFFAOYSA-N",391646,NA,"PDBC08618","691132","Present",NA,NA
+"8619","1-(3,5-Di-tert-butyl-2-hydroxyphenyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-Di-tert-butyl-2-hydroxyphenyl)-4-methyl-2-(pentamethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,"CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2C3=CC(=CC(=C3O)C(C)(C)C)C(C)(C)C)C)C)C","HAKAIRQQUKYEAJ-UHFFFAOYSA-N",391920,NA,"PDBC08619","691600","Present",NA,NA
+"8620","1-(3,5-Dichlorophenyl)-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-dichlorophenyl)-3-(4-(3,4,5-trimethoxyphenyl)thia...",NA,"COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)NC3=CC(=CC(=C3)Cl)Cl","KHNXUVXFTKBXNG-UHFFFAOYSA-N",155810379,NA,"PDBC08620","795216","Present",NA,NA
+"8621","1-(3,5-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-Dichlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC(=C4)Cl)Cl","AHXUUJOITLLYDA-UHFFFAOYSA-N",362622,NA,"PDBC08621","626763","Present",NA,NA
+"8622","1-(3,5-Diethyl-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-Diethyl-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione",NA,"CCC1=NN=C(N1N2C(=O)CCC2=O)CC","MQWXTPULLBLOIF-UHFFFAOYSA-N",390151,NA,"PDBC08622","687219","Present",NA,NA
+"8623","1-(3,5-Dimethoxyphenyl)-3-[4-(4-methoxyphenoxy)-2-(4-morpholin-4-ylanilino)pyrimidin-5-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-dimethoxyphenyl)-3-[4-(4-methoxyphenoxy)-2-(4-mor...",NA,"COC1=CC=C(C=C1)OC2=NC(=NC=C2NC(=O)NC3=CC(=CC(=C3)OC)OC)NC4=CC=C(C=C4)N5CCOCC5","DVLNOAZGUCLXIR-UHFFFAOYSA-N",155806475,NA,"PDBC08623","798108","Present",NA,NA
+"8624","1-(3,5-Dimethoxyphenyl)propan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dimethoxybenzylmethyl ketone",NA,"CC(=O)CC1=CC(=CC(=C1)OC)OC","BKWQFIARUMVMFF-UHFFFAOYSA-N",377218,NA,"PDBC08624","658454","Present",NA,NA
+"8625","1-(3,5-Dimethylpyrazolyl)-2-{5-[2-(3,5-dimethylpyrazolyl)-1-methyl-2-oxoethylt hio](1,3,4-thiadiazol-2-ylthio)}propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis{[2-(3,5-dimethyl-1h-pyrazol-1-yl)-1-methyl-2-oxoethyl]sulfanyl}-1,3,4-thiadiazole",NA,"CC1=CC(=NN1C(=O)C(C)SC2=NN=C(S2)SC(C)C(=O)N3C(=CC(=N3)C)C)C","WJEJROLLAKMOQX-UHFFFAOYSA-N",397645,NA,"PDBC08625","706005","Present",NA,NA
+"8626","1-(3,5-Diphenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-1,2,3,4-butanetetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,4-Thiadiazole, 2,3-dihydro-3,5-diphenyl-2- (1,2,3,4-...",NA,"C1=CC=C(C=C1)C2=NN(C(S2)C(C(C(CO)O)O)O)C3=CC=CC=C3","SQMQFRFGCSHRSM-UHFFFAOYSA-N",362640,NA,"PDBC08626","626826","Present",NA,NA
+"8627","1-(3,5-Diphenyl-4,5-dihydrotriazol-4-yl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-Diphenyl-4,5-dihydrotriazol-4-yl)piperidine",NA,"C1CCN(CC1)C2C(N=NN2C3=CC=CC=C3)C4=CC=CC=C4","HAQXMLXJZYGHAM-UHFFFAOYSA-N",281034,NA,"PDBC08627","133514","Present",NA,NA
+"8628","1-(3,6-Dihydro-2H-pyridine-1-carbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,6-Dihydropyridin-1(2H)-ylcarbonyl)-4,7,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-one",NA,"CC1(C2(CCC1(OC2=O)C(=O)N3CCC=CC3)C)C","WHWARFJWAYZPEO-UHFFFAOYSA-N",361744,NA,"PDBC08628","625010","Present",NA,NA
+"8629","1-(3-((Dicyclohexylamino)methyl)-2,4-dihydroxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-((Dicyclohexylamino)methyl)-2,4-dihydroxyphenyl)ethanone",NA,"CC(=O)C1=C(C(=C(C=C1)O)CN(C2CCCCC2)C3CCCCC3)O","NGJJEZVCTSGDRK-UHFFFAOYSA-N",268806,NA,"PDBC08629","109248","Present",NA,NA
+"8630","1-(3-(1,1-Dimethyl-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazol-4(5H)-yl)phenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(1,1-Dimethyl-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazol-4(5H)-yl)phenyl)ethanone",NA,"CC(=O)C1=CC(=CC=C1)N2CN3C4=CC=CC=C4N=C3C(OC2)(C)C","MIYQFXMVDFYIAM-UHFFFAOYSA-N",374203,NA,"PDBC08630","651693","Present",NA,NA
+"8631","1-(3-(1-Naphthylmethyl)-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(1-Naphthylmethyl)-2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)ethanone",NA,"CC(=O)C1(S(=O)(=O)OCCOS1(=O)=O)CC2=CC=CC3=CC=CC=C32","UZDRMFHLFFXMIL-UHFFFAOYSA-N",384744,NA,"PDBC08631","674993","Present",NA,NA
+"8632","1-(3-(1-Piperidinyl)-1,2,4-thiadiazol-5-yl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(1-Piperidinyl)-1,2,4-thiadiazol-5-yl)piperidine",NA,"C1CCN(CC1)C2=NSC(=N2)N3CCCCC3","BQVXJBDLIKMNDX-UHFFFAOYSA-N",360533,NA,"PDBC08632","622668","Present",NA,NA
+"8633","1-(3-(1H-Imidazol-4-yl)-2-(((5-oxo-2-pyrrolidinyl)carbonyl)amino)propanoyl)-N-methyl-2-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(1H-Imidazol-5-yl)-1-[2-(methylcarbamoyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide",NA,"CNC(=O)C1CCCN1C(=O)C(CC2=CN=CN2)NC(=O)C3CCC(=O)N3","QXIRQEYFDVIBTN-UHFFFAOYSA-N",381833,NA,"PDBC08633","668906","Present",NA,NA
+"8634","1-(3-(2,4-Dimethyl-5-(methylamino)-3,6-dioxo-1,4-cyclohexadien-1-yl)-3-methylbutanoyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[2,4-Dimethyl-5-(methylamino)-3,6-dioxocyclohexa-1,4-dien-1-yl]-3-methylbutanoyl]-5-fluoropyrimidine-2,4-dione",NA,"CC1=C(C(=O)C(=C(C1=O)C)NC)C(C)(C)CC(=O)N2C=C(C(=O)NC2=O)F","KXBBUWSRRKIONB-UHFFFAOYSA-N",356667,NA,"PDBC08634","613493","Present",NA,NA
+"8635","1-(3-(2,6-Dimethylphenyl)-2-imino-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(2,6-Dimethylphenyl)-2-imino-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethanone",NA,"CC1=C(C(=CC=C1)C)N2C(=C(SC2=N)C(=O)C)C","WMZSKSGNVIVKFM-UHFFFAOYSA-N",381561,NA,"PDBC08635","668350","Present",NA,NA
+"8636","1-(3-(3,3-Dimethyl-1-triazenyl)-4-methylbenzoyl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(3,3-Dimethyl-1-triazenyl)-4-methylbenzoyl)piperidine",NA,"CC1=C(C=C(C=C1)C(=O)N2CCCCC2)N=NN(C)C","ASPOYWQEXUDTBS-UHFFFAOYSA-N",374090,NA,"PDBC08636","651350","Present",NA,NA
+"8637","1-(3-(4,5,6,7,8,9-Hexahydro-1H-cycloocta[d][1,2,3]triazol-1-yl)-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-2-yl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(4,5,6,7,8,9-Hexahydro-1H-cycloocta[d][1,2,3]triazol-1-yl)-5,6,7,8,9,10-hexahydrobenzo[a]cycloocten-2-yl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d][1,2,3]triazole",NA,"C1CCCC2=CC(=C(C=C2CC1)N3C4=C(CCCCCC4)N=N3)N5C6=C(CCCCCC6)N=N5","JYWUWMAWPUDYRN-UHFFFAOYSA-N",365729,NA,"PDBC08637","633670","Present",NA,NA
+"8638","1-(3-(Benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-5-(3,4,5-trimethoxyphenyl)pyrazol-1-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(benzo[d][1,3]dioxol-5-yl)-4,5-dihydro-5-(3,4,5-tri...",NA,"CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","DSUSHVBFDNYXMR-UHFFFAOYSA-N",16462904,NA,"PDBC08638","754198","Present",NA,NA
+"8639","1-(3-(Benzyloxy)-4-methoxyphenyl)-3-butyn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(Benzyloxy)-4-methoxyphenyl)-3-butyn-1-ol",NA,"COC1=C(C=C(C=C1)C(CC#C)O)OCC2=CC=CC=C2","RPALFTMJFHWELC-UHFFFAOYSA-N",382380,NA,"PDBC08639","669938","Present",NA,NA
+"8640","1-(3-(Phenylsulfonyl)-3-cyclopenten-1-yl)ethanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(Phenylsulfonyl)-3-cyclopenten-1-yl)ethanone oxime",NA,"CC(=NO)C1CC=C(C1)S(=O)(=O)C2=CC=CC=C2","NDGPHSMTXDIQNJ-UVTDQMKNSA-N",5935210,NA,"PDBC08640","623986","Present",NA,NA
+"8641","1-(3-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)C(F)(F)F","XTLVALLIRNCOGM-UHFFFAOYSA-N",362618,NA,"PDBC08641","626759","Present",NA,NA
+"8642","1-(3-(Trimethylsilyl)-3-pentenyl)-2,3,4,4a,9,9a-hexahydro-1H-beta-carboline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(Trimethylsilyl)-3-pentenyl)-2,3,4,4a,9,9a-hexahydro-1H-beta-carboline",NA,"CC=C(CCC1C2C(CCN1)C3=CC=CC=C3N2)[Si](C)(C)C","NSHWEQKTJYYKNJ-RZNTYIFUSA-N",5386775,NA,"PDBC08642","617621","Present",NA,NA
+"8643","1-(3-(Trimethylsilyl)-3-pentenyl)-2,3,4,9-tetrahydro-1H-beta-carboline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617622///NSC619167",NA,"CC=C(CCC1C2=C(CCN1)C3=CC=CC=C3N2)[Si](C)(C)C","MWWNDHSQBOESHH-RZNTYIFUSA-N",5386776,NA,"PDBC08643","617622///619167","Present",NA,NA
+"8644","1-(3-Acetyl-2,4-dimethylpyrrol-1-yl)sulfonyl-3-(1,3,4-thiadiazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Acetyl-2,4-dimethyl-pyrrol-1-yl)sulfonyl-3-(1,3,4-thiadiazol-2-yl)urea",NA,"CC1=CN(C(=C1C(=O)C)C)S(=O)(=O)NC(=O)NC2=NN=CS2","FLWVVIXXFXKKCC-UHFFFAOYSA-N",398811,NA,"PDBC08644","708950","Present",NA,NA
+"8645","1-(3-Allyl-2-hydroxyphenyl)-5-(2-chlorophenyl)-3-hydroxy-2,4-pentadien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Allyl-2-hydroxyphenyl)-5-(2-chlorophenyl)-3-hydroxy-2,4-pentadien-1-one",NA,"C=CCC1=C(C(=CC=C1)C(=CC(=O)C=CC2=CC=CC=C2Cl)O)O","BYYYMZJSEJZBNV-VFXSNCDZSA-N",5470312,NA,"PDBC08645","699425","Present",NA,NA
+"8646","1-(3-Aminopropyl)-3-phenyl-1-[3-[N-(phenylcarbamoyl)anilino]propyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Aminopropyl)-3-phenyl-1-[3-[N-(phenylcarbamoyl)anilino]propyl]urea",NA,"C1=CC=C(C=C1)NC(=O)N(CCCN)CCCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3","AYSWWTDRVUGWKD-UHFFFAOYSA-N",393248,NA,"PDBC08646","694875","Present",NA,NA
+"8647","1-(3-Aminopropyl)-4-methylpiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N'-(.gamma.-aminopropyl)piperazine",NA,"CN1CCN(CC1)CCCN","RGUABPVONIGVAT-UHFFFAOYSA-N",78328,NA,"PDBC08647","60215","Present",NA,NA
+"8648","1-(3-Benzyl-2-ethylimidazol-4-yl)-1-phenylethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Benzyl-2-ethylimidazol-4-yl)-1-phenylethanol",NA,"CCC1=NC=C(N1CC2=CC=CC=C2)C(C)(C3=CC=CC=C3)O","MGJWEHDRICUGFI-UHFFFAOYSA-N",304284,NA,"PDBC08648","195922","Present",NA,NA
+"8649","1-(3-Benzyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-3-methyl-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Benzyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-3-methyl-1H-pyrrole-2,5-dione",NA,"CC1=CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=CC=C3","MOUAABTXZCJYKF-UHFFFAOYSA-N",387578,NA,"PDBC08649","681535","Present",NA,NA
+"8650","1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)piperidine-2,6-dione",NA,"C1CC(=O)N(C(=O)C1)N2C(=NNC2=O)CC3=CC=CC=C3","YAZCYEHLEYLIJG-UHFFFAOYSA-N",388165,NA,"PDBC08650","682729","Present",NA,NA
+"8651","1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N3C(=O)C=CC3=O","IHFILCKJLVMRDT-UHFFFAOYSA-N",387269,NA,"PDBC08651","680866","Present",NA,NA
+"8652","1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione",NA,"C1CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=CC=C3","PHVMNKOARVNDRG-UHFFFAOYSA-N",388874,NA,"PDBC08652","684067","Present",NA,NA
+"8653","1-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-4-(3-bromophenyl)-3-chloroazetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-4-(3-bromophenyl)-3-chloroazetidin-2-one",NA,"C1=CC(=CC(=C1)Br)C2C(C(=O)N2C3=C(C(=CC(=C3Cl)Br)Cl)O)Cl","FWVYSXLAUNTRDQ-UHFFFAOYSA-N",403484,NA,"PDBC08653","718385","Present",NA,NA
+"8654","1-(3-Bromo-3,5-bis(4-methylphenyl)-2,4-diphenyl-1,4-cyclopentadien-1-yl)-4-methylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromo-3,5-bis(4-methylphenyl)-2,4-diphenyl-1,4-cyclopentadien-1-yl)-4-methylbenzene",NA,"CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=C(C=C5)C)Br)C6=CC=CC=C6","SMOGXNPRDNGSQR-UHFFFAOYSA-N",370269,NA,"PDBC08654","643047","Present",NA,NA
+"8655","1-(3-Bromo-4-methoxybenzyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromo-4-methoxybenzyl)-1,2,3,4-tetrahydro-6,7- dime...",NA,"COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC)Br","YSOCJYPSQCCGNA-UHFFFAOYSA-N",366189,NA,"PDBC08655","634516","Present",NA,NA
+"8656","1-(3-Bromo-4-methoxybenzyl)-6,7-dimethoxy-3,4-dihydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromo-4-methoxybenzyl)-3,4-dihydro-6,7- dimethoxyis...",NA,"COC1=C(C=C(C=C1)CC2=NCCC3=CC(=C(C=C32)OC)OC)Br","FNHNRCUJHUNZIF-UHFFFAOYSA-N",366188,NA,"PDBC08656","634515","Present",NA,NA
+"8657","1-(3-Bromo-phenyl)-3-(pyridin-2-ylsulfanyl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromo-phenyl)-3-(pyridin-2-ylsulfanyl)-propenone",NA,"C1=CC=NC(=C1)SC=CC(=O)C2=CC(=CC=C2)Br","GJWHSAKIWYZZJY-CLFYSBASSA-N",24203485,NA,"PDBC08657","728220","Present",NA,NA
+"8658","1-(3-Bromophenyl)-2-undecyl-2H-1,3,5-triazine-4,6-diamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromophenyl)-2-undecyl-2H-1,3,5-triazine-4,6-diamine hydrochloride",NA,"CCCCCCCCCCCC1N=C(N=C(N1C2=CC(=CC=C2)Br)N)N.Cl","JGDZYCDGFBTNJM-UHFFFAOYSA-N",24181145,NA,"PDBC08658","5206","Present",NA,NA
+"8659","1-(3-Bromophenyl)-3-(4-bromophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC33725",NA,"C1=CC(=CC(=C1)Br)NC(=O)NC2=CC=C(C=C2)Br","ORURTYLIQVPMCD-UHFFFAOYSA-N",234238,NA,"PDBC08659","33725","Present",NA,NA
+"8660","1-(3-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)Br","WMEXLDJBKXUZPX-UHFFFAOYSA-N",361995,NA,"PDBC08660","625474","Present",NA,NA
+"8661","1-(3-Bromophenyl)-6-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromophenyl)-6-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline",NA,"COC1=CC2=C(CN3C(SCC3=N2)C4=CC(=CC=C4)Br)C=C1","HCAQRHPXCUKBBE-UHFFFAOYSA-N",400621,NA,"PDBC08661","712743","Present",NA,NA
+"8662","1-(3-Bromophenyl)-7-methoxy-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromophenyl)-7-methoxy-3,9-dihydro[1,3]thiazolo[4,3-b]quinazoline",NA,"COC1=CC2=C(C=C1)N=C3CSC(N3C2)C4=CC(=CC=C4)Br","BUBZFAHSDONJHM-UHFFFAOYSA-N",400620,NA,"PDBC08662","712742","Present",NA,NA
+"8663","1-(3-Bromopropyl)-4-methylpiperazine hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-13063",NA,"CN1CCN(CC1)CCCBr.Br","KCYOYVPMBWCTJZ-UHFFFAOYSA-N",5351831,NA,"PDBC08663","54970","Present",NA,NA
+"8664","1-(3-Butylsulfonyl-4-methylanilino)-4-hydroxyanthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[3-(Butylsulfonyl)-4-methylphenyl]amino}-4-hydroxyanthracene-9,10-dione",NA,"CCCCS(=O)(=O)C1=C(C=CC(=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=CC=CC=C4C3=O)C","SOTNWEUZNKFXGN-UHFFFAOYSA-N",278252,NA,"PDBC08664","127627","Present",NA,NA
+"8665","1-(3-Carboxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Carboxyphenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylic acid",NA,"CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C(=O)O","TYUGVOIHNADERA-UHFFFAOYSA-N",292938,NA,"PDBC08665","159192","Present",NA,NA
+"8666","1-(3-Chloro-1,4-dioxonaphthalen-2-yl)piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chloro-1,4-dioxo-2-naphthyl)piperidine-2,6-dione",NA,"C1CC(=O)N(C(=O)C1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","QTHHGAHSASFCMR-UHFFFAOYSA-N",389901,NA,"PDBC08666","686552","Present",NA,NA
+"8667","1-(3-Chloro-4-fluoroanilino)-3-(4-chloro-5-methyl-2-methylsulfanylphenyl)sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chloro-4-fluoroanilino)-3-(4-chloro-5-methyl-2-methylsulfanylphenyl)sulfonylurea",NA,"CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC(=C(C=C2)F)Cl","UDAORYZVAIOEBK-UHFFFAOYSA-N",387432,NA,"PDBC08667","681181","Present",NA,NA
+"8668","1-(3-Chloro-4-fluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chloro-4-fluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=C(C=C4)F)Cl","XXZLFXUSJMQDQL-UHFFFAOYSA-N",366140,NA,"PDBC08668","634467","Present",NA,NA
+"8669","1-(3-Chloroanilino)-1-(ethyl)-4-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-[1-(4-pyridyl)ethyl]aniline",NA,"CC(C1=CC=NC=C1)NC2=CC(=CC=C2)Cl","LTXCKOQWPDAXTP-UHFFFAOYSA-N",383455,NA,"PDBC08669","671841","Present",NA,NA
+"8670","1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-chlorobenzyl)-1h-indole-3-carbaldehyde",NA,"C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)C=O","NANCGWIQWABHDC-UHFFFAOYSA-N",775540,NA,"PDBC08670","741908","Present",NA,NA
+"8671","1-(3-Chlorophenyl)-2-hexyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-2-hexyl-2H-1,3,5-triazine-4,6-diamine;hydrochloride",NA,"CCCCCCC1N=C(N=C(N1C2=CC(=CC=C2)Cl)N)N.Cl","JZGYUALYVXVDCI-UHFFFAOYSA-N",24180956,NA,"PDBC08671","3083","Present",NA,NA
+"8672","1-(3-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=CC(=CC=C4)Cl","MKWUFBKGEROMDT-UHFFFAOYSA-N",3004437,NA,"PDBC08672","653932","Present",NA,NA
+"8673","1-(3-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea",NA,"CC1=NC(=CC=C1)NC(=S)NC2=CC(=CC=C2)Cl","WJHXRKKARJVNKJ-UHFFFAOYSA-N",3005368,NA,"PDBC08673","695056","Present",NA,NA
+"8674","1-(3-Chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=CC(=CC=C4)Cl","HIMBTAUQZDOROF-UHFFFAOYSA-N",3005268,NA,"PDBC08674","687865","Present",NA,NA
+"8675","1-(3-Chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-1-[(4-methyl-6-oxo-3h-pyrimidin-2-yl)sulfonyl]urea",NA,"CC1=CC(=O)NC(=N1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)Cl","DTQNXDZXJCLOSE-UHFFFAOYSA-N",135426663,NA,"PDBC08675","706041","Present",NA,NA
+"8676","1-(3-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC(=CC=C3)Cl","ZXSRYRYIWSVIGW-CIAFOILYSA-N",9571652,NA,"PDBC08676","695333","Present",NA,NA
+"8677","1-(3-Chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC(=CC=C3)Cl","BCBCNPJJPUEHIE-UHFFFAOYSA-N",3005058,NA,"PDBC08677","668498","Present",NA,NA
+"8678","1-(3-Chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,"CC(=NNC(=S)NC1=CC(=CC=C1)Cl)C2=CC=CC=N2","QJEQNMXYYQUOAY-ZDLGFXPLSA-N",5494177,NA,"PDBC08678","668335","Present",NA,NA
+"8679","1-(3-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(3-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(3-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea",NA,"CC(=NNC(=S)NC1=CC(=CC=C1)Cl)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC(=CC=C3)Cl)C","VXDVMNCTKRZPIF-QKPCRAOOSA-N",5915690,NA,"PDBC08679","668484","Present",NA,NA
+"8680","1-(3-Chlorophenyl)-3-[10-[3-(3-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-10-oxo-decanoyl]-2-thioxo-hexahydropyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-3-[10-[3-(3-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-10-oxodecanoyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"C1C(=O)N(C(=S)N(C1=O)C(=O)CCCCCCCCC(=O)N2C(=O)CC(=O)N(C2=S)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl","PWTPRJRATZZYNB-UHFFFAOYSA-N",395652,NA,"PDBC08680","700434","Present",NA,NA
+"8681","1-(3-Chlorophenyl)-3-ethyl-5-(2-phenylvinyl)-1,2,3,4-tetrahydropyrimido(5,4-c)quinolin-9-yl methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-3-ethyl-9-methoxy-5-[(E)-styryl]-2,4-dihydropyrimido[5,4-c]quinoline",NA,"CCN1CC2=C(C3=C(C=CC(=C3)OC)N=C2C=CC4=CC=CC=C4)N(C1)C5=CC(=CC=C5)Cl","JQJPIQDBZBRUTN-WYMLVPIESA-N",5917777,NA,"PDBC08681","340852","Present",NA,NA
+"8682","1-(3-Chlorophenyl)-3-pyridin-2-ylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK489894",NA,"C1=CC=NC(=C1)NC(=S)NC2=CC(=CC=C2)Cl","KJWFTVWWEOPVBZ-UHFFFAOYSA-N",3005366,NA,"PDBC08682","695053","Present",NA,NA
+"8683","1-(3-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)Cl","FBYKUBSWTGLUOJ-UHFFFAOYSA-N",361999,NA,"PDBC08683","625478","Present",NA,NA
+"8684","1-(3-Chlorophenyl)-4-((((4-(3-chlorophenyl)-2,5-dioxo-1-piperazinyl)amino)methyl)amino)-2,5-piperazinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-4-[[[4-(3-chlorophenyl)-2,5-dioxopiperazin-1-yl]amino]methylamino]piperazine-2,5-dione",NA,"C1C(=O)N(CC(=O)N1C2=CC(=CC=C2)Cl)NCNN3CC(=O)N(CC3=O)C4=CC(=CC=C4)Cl","HKDUOECYDPBSSR-UHFFFAOYSA-N",376335,NA,"PDBC08684","657167","Present",NA,NA
+"8685","1-(3-Chlorophenyl)-4-(2,5-dichlorobenzoyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK094679",NA,"C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=C(C=CC(=C3)Cl)Cl","QOGJNYXSKWRPEZ-UHFFFAOYSA-N",386373,NA,"PDBC08685","678257","Present",NA,NA
+"8686","1-(3-Chlorophenyl)-4-[2-[4-(3-chlorophenyl)-2,5-dioxo-piperazin-1-yl]ethyl]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chlorophenyl)-4-[2-[4-(3-chlorophenyl)-2,5-dioxo-piperazin-1-yl]ethyl]piperazine-2,5-dione",NA,"C1C(=O)N(CC(=O)N1CCN2CC(=O)N(CC2=O)C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl","ADUFRFKYFFJJAK-UHFFFAOYSA-N",376331,NA,"PDBC08686","657163","Present",NA,NA
+"8687","1-(3-Chlorophenyl)-4-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperazine, 4-(m-chlorophenyl)-4'-(p-chlorophenyl)-1,1'-...",NA,"C1CN(CCN1CCCN2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl","RJIDJXUSALVOTE-UHFFFAOYSA-N",233683,NA,"PDBC08687","32569","Present",NA,NA
+"8688","1-(3-Chloropropyl)cyclohexane-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chloropropyl)cyclohexane-1-carbonitrile",NA,"C1CCC(CC1)(CCCCl)C#N","KMDCKLDEDWBAKT-UHFFFAOYSA-N",357879,NA,"PDBC08688","617413","Present",NA,NA
+"8689","1-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-methylthiourea",NA,"CNC(=S)NC1=C(C2=C(S1)CCCC2)C#N","RTMPCRMVUKULJN-UHFFFAOYSA-N",2815291,NA,"PDBC08689","679227","Present",NA,NA
+"8690","1-(3-Cyanophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Cyanophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC(=C4)C#N","IUXOVSWNHQLVOW-UHFFFAOYSA-N",366138,NA,"PDBC08690","634465","Present",NA,NA
+"8691","1-(3-Diethylamino-2-hydroxypropylamine)-4-(3-chloro-2-hydroxypropylamine)anthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Diethylamino-2-hydroxypropylamine)-4-(3-chloro-2- h...",NA,"CCN(CC)CC(CNC1=C2C(=C(C=C1)NCC(CCl)O)C(=O)C3=CC=CC=C3C2=O)O.Cl","JXZILNDFAYXEFX-UHFFFAOYSA-N",368387,NA,"PDBC08691","639365","Present",NA,NA
+"8692","1-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5...",NA,"CCN(CC)CCCNC1=C2C=C3C4=CC=CC=C4N=C3C(=C2C=NN1)C","SAKNXNYGAJXCIR-UHFFFAOYSA-N",390192,NA,"PDBC08692","687353","Present",NA,NA
+"8693","1-(3-Diethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-diethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline",NA,"CC[As](CC)SCC(C)C(=O)N1CCCC1C(=O)O","LTJVTLRUQNETTC-QWRGUYRKSA-N",24203225,NA,"PDBC08693","727224","Present",NA,NA
+"8694","1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"edci",NA,"CCN=C=NCCCN(C)C.Cl","FPQQSJJWHUJYPU-UHFFFAOYSA-N",2723939,NA,"PDBC08694","97064","Present",NA,NA
+"8695","1-(3-Dimethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-dimethylarsino-3-thio-2-methyl-1-oxopropyl)-L-proline",NA,"CC(CS[As](C)C)C(=O)N1CCCC1C(=O)O","ZJXAMHNLAOQLDS-IUCAKERBSA-N",24203224,NA,"PDBC08695","727223","Present",NA,NA
+"8696","1-(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrolidine-2,5-dione",NA,"CCC1=NNC(=O)N1N2C(=O)CCC2=O","BLXFZKLEGGRADN-UHFFFAOYSA-N",388873,NA,"PDBC08696","684066","Present",NA,NA
+"8697","1-(3-Ethynylphenyl)-2,5-pyrrolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Pyrrolidinedione, 1-(3-ethynylphenyl)-",NA,"C#CC1=CC(=CC=C1)N2C(=O)CCC2=O","GDFBYFFSWFEBHI-UHFFFAOYSA-N",366009,NA,"PDBC08697","634182","Present",NA,NA
+"8698","1-(3-Ethynylphenyl)-3-(triphenylphosphoranylidene)-2,5-pyrrolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Ethynylphenyl)-3-(triphenylphosphoranylidene)-2,5-pyrrolidinedione",NA,"C#CC1=CC(=CC=C1)N2C(=O)CC(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C2=O","WLQAJIYXFXMHPV-UHFFFAOYSA-N",366006,NA,"PDBC08698","634179","Present",NA,NA
+"8699","1-(3-Fluoro-phenyl)-4-phenyl-1H-pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Fluoro-phenyl)-4-phenyl-1H-pyrimidine-2-thione",NA,"C1=CC=C(C=C1)C2=NC(=S)N(C=C2)C3=CC(=CC=C3)F","SMEJEKWUYLHTPA-UHFFFAOYSA-N",406781,NA,"PDBC08699","725066","Present",NA,NA
+"8700","1-(3-Fluorophenyl)-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Fluorophenyl)-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline",NA,"C1C2=CC=CC=C2N=C3N1C(SC3)C4=CC(=CC=C4)F","SHMDLNZTNRUVLL-UHFFFAOYSA-N",395896,NA,"PDBC08700","700991","Present",NA,NA
+"8701","1-(3-Fluorophenyl)-3-(2-methyl-5-nitrophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Fluorophenyl)-3-(2-methyl-5-nitrophenyl)urea",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)NC2=CC(=CC=C2)F","ITDLGYNNVUOGDE-UHFFFAOYSA-N",310951,NA,"PDBC08701","216183","Present",NA,NA
+"8702","1-(3-Hydroxy-1-isopropoxy-5,8-dioxaspiro[3.4]oct-1-en-2-yl)acetone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Hydroxy-1-isopropoxy-5,8-dioxaspiro[3.4]oct-1-en-2-yl)acetone",NA,"CC(C)OC1=C(C(C12OCCO2)O)CC(=O)C","CJJMYVHCQGSWTN-UHFFFAOYSA-N",394534,NA,"PDBC08702","698079","Present",NA,NA
+"8703","1-(3-Hydroxy-6,7-dimethyl-2-quinoxalinyl)-4-methyl-3-penten-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Hydroxy-6,7-dimethyl-2-quinoxalinyl)-4-methyl-3-penten-2-one",NA,"CC1=CC2=C(C=C1C)N=C(C(=O)N2)CC(=O)C=C(C)C","QMGWGTAILLXHQA-UHFFFAOYSA-N",360288,NA,"PDBC08703","622322","Present",NA,NA
+"8704","1-(3-Hydroxybutyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Hydroxybutyl)-3-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]urea",NA,"CC(CCNC(=O)NC1=C(C=C(NC1=O)C2=CC=CC=C2)C(F)(F)F)O","QRYWFMRLAMIRKB-UHFFFAOYSA-N",397741,NA,"PDBC08704","706164","Present",NA,NA
+"8705","1-(3-Imino-2-methyl-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Imino-2-methyl-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl)ethanone",NA,"CC(=O)N1C2C(=NN(C(=N)S2)C)C3=CC=CC=C31","WYUCINFPTMVKNU-UHFFFAOYSA-N",384014,NA,"PDBC08705","673118","Present",NA,NA
+"8706","1-(3-Iodopropyl)cyclopentane-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Iodopropyl)cyclopentane-1-carbonitrile",NA,"C1CCC(C1)(CCCI)C#N","LGYHMAXPHMSGPI-UHFFFAOYSA-N",357884,NA,"PDBC08706","617418","Present",NA,NA
+"8707","1-(3-Methoxyphenyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Methoxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinoxaline",NA,"COC1=CC=CC(=C1)C2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5","SOZOSUYGIYYJSO-UHFFFAOYSA-N",399100,NA,"PDBC08707","709516","Present",NA,NA
+"8708","1-(3-Methoxyphenyl)propan-2-amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/SH8120000",NA,"CC(CC1=CC(=CC=C1)OC)N.Cl","DZZOPEUEYCVTQM-UHFFFAOYSA-N",3029807,NA,"PDBC08708","93733","Present",NA,NA
+"8709","1-(3-Methyl-2-thienyl)-4-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Methyl-2-thienyl)-4-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,"CC1=C(SC=C1)C(=O)C(CC(=O)C2=CC=CS2)C3=CSC=C3","JZDDYZOENRNJRB-UHFFFAOYSA-N",376719,NA,"PDBC08709","657765","Present",NA,NA
+"8710","1-(3-Methyl-5-oxo-1H-1,2,4-triazol-4-yl)piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Methyl-5-oxo-1H-1,2,4-triazol-4-yl)piperidine-2,6-dione",NA,"CC1=NNC(=O)N1N2C(=O)CCCC2=O","HTRJXAJHLXMVMP-UHFFFAOYSA-N",388164,NA,"PDBC08710","682728","Present",NA,NA
+"8711","1-(3-Methylphenyl)-2-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m-Tolylthiourea",NA,"CC1=CC(=CC=C1)NC(=S)N","JODPVHLKQIOIIW-UHFFFAOYSA-N",701727,NA,"PDBC08711","635574","Present",NA,NA
+"8712","1-(3-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"CC1=CC(=CC=C1)C2N3C(=NC4=CC=CC=C43)CS2","DXMCBXOONDVGLN-UHFFFAOYSA-N",361997,NA,"PDBC08712","625476","Present",NA,NA
+"8713","1-(3-Nitropyridin-2-yl)-1H-benzo[d]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Nitropyridin-2-yl)-1H-benzo[d]imidazole",NA,"C1=CC=C2C(=C1)N=CN2C3=C(C=CC=N3)[N+](=O)[O-]","LGXFJUDOIQFSEW-UHFFFAOYSA-N",392272,NA,"PDBC08713","692412","Present",NA,NA
+"8714","1-(3-Oxo-4H-1,4-benzoxazin-7-yl)-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Oxo-4H-1,4-benzoxazin-7-yl)-3-phenylthiourea",NA,"C1C(=O)NC2=C(O1)C=C(C=C2)NC(=S)NC3=CC=CC=C3","FCTGBLDIGPCKLF-UHFFFAOYSA-N",3747433,NA,"PDBC08714","646096","Present",NA,NA
+"8715","1-(3-Oxobutyl)-2-oxocyclopentanecarboxylic acid isobutyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isobutyl 2-oxo-1-(3-oxobutyl)cyclopentane-1-carboxylate",NA,"CC(C)COC(=O)C1(CCCC1=O)CCC(=O)C","LKAHEFPEBZRBHE-UHFFFAOYSA-N",397722,NA,"PDBC08715","706130","Present",NA,NA
+"8716","1-(3-Pyridinyl)-2,2-difluoro-2-(benzoxazole-2-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-pyridin-3-ylethanol",NA,"C1=CC=C2C(=C1)N=C(O2)C(C(C3=CN=CC=C3)O)(F)F","DPOYSAWKTPAZQU-UHFFFAOYSA-N",393814,NA,"PDBC08716","696593","Present",NA,NA
+"8717","1-(3-Sulfamoylphenyl)-3-(p-tolylsulfonyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Sulfamoylphenyl)-3-(p-tolylsulfonyl)urea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=CC=C2)S(=O)(=O)N","MRLDKUSYTMXCCF-UHFFFAOYSA-N",395824,NA,"PDBC08717","700716","Present",NA,NA
+"8718","1-(3-Thienyldiazenyl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Thienyldiazenyl)-2-naphthol",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CSC=C3)O","OXSLWSAORQFBOQ-UHFFFAOYSA-N",365185,NA,"PDBC08718","632478","Present",NA,NA
+"8719","1-(4'-Methoxybiphenyl-4-yl)-2-(triphenylphosphoranylidene)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4'-Methoxybiphenyl-4-yl)-2-(triphenylphosphoranylidene)ethanone",NA,"COC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5","ARWKQPBEKVXBTR-UHFFFAOYSA-N",403593,NA,"PDBC08719","718646","Present",NA,NA
+"8720","1-(4'-Phthalimidopropyl-carbonyl)-5-fluorouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4'-Phthalimidopropyl-carbonyl)-5-fluorouracil",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC(=O)N3C=C(C(=O)NC3=O)F","GXBJBHATTFQWAK-UHFFFAOYSA-N",388985,NA,"PDBC08720","684405","Present",NA,NA
+"8721","1-(4,5-Dihydro-1,3-oxazol-2-yl)-4-methylpiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,5-Dihydro-1,3-oxazol-2-yl)-4-methylpiperazine",NA,"CN1CCN(CC1)C2=NCCO2","QIBUVSZGZJKELY-UHFFFAOYSA-N",379839,NA,"PDBC08721","664971","Present",NA,NA
+"8722","1-(4,5-Dimethylbicyclo[2.2.2]oct-5-en-2-ylidene)ethyl formate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,5-Dimethylbicyclo[2.2.2]oct-5-en-2-ylidene)ethyl formate",NA,"CC1=CC2CCC1(CC2=C(C)OC=O)C","FWKPDPWUSHLWRV-ZRDIBKRKSA-N",3004044,NA,"PDBC08722","624381","Present",NA,NA
+"8723","1-(4,6-Dichloropyrimidin-2-yl)-3-(p-tolylsulfonyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,6-Dichloropyrimidin-2-yl)-3-(p-tolylsulfonyl)urea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)Cl","GWNWAVHATZHNBC-UHFFFAOYSA-N",367470,NA,"PDBC08723","637202","Present",NA,NA
+"8724","1-(4,6-Difluoro-1,3,5-triazin-2-yl)-2-methyl-2H-isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,6-Difluoro-1,3,5-triazin-2-yl)-2-methyl-2H-isoindole",NA,"CN1C=C2C=CC=CC2=C1C3=NC(=NC(=N3)F)F","VNYNAZKKEBJBDB-UHFFFAOYSA-N",373223,NA,"PDBC08724","649230","Present",NA,NA
+"8725","1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-hexyl-2H-isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-hexyl-2H-isoindole",NA,"CCCCCCN1C(=C2C=CC=CC2=C1SCC)C3=NC(=NC(=N3)F)F","MDAQTRCUUJOPIL-UHFFFAOYSA-N",373227,NA,"PDBC08725","649234","Present",NA,NA
+"8726","1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-propyl-2H-isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-propyl-2H-isoindole",NA,"CCCN1C(=C2C=CC=CC2=C1SCC)C3=NC(=NC(=N3)F)F","YFSZCRHYQXWOSH-UHFFFAOYSA-N",373226,NA,"PDBC08726","649233","Present",NA,NA
+"8727","1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-propyl-2H-naphtho[2,3-f]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-propyl-2H-naphtho[2,3-f]isoindole",NA,"CCCN1C(=C2C=C3C=C4C=CC=CC4=CC3=CC2=C1SCC)C5=NC(=NC(=N5)F)F","PLLFXIMDGPVELV-UHFFFAOYSA-N",373228,NA,"PDBC08727","649235","Present",NA,NA
+"8728","1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-[2-[3-(4,6-difluoro-1,3,5-triazin-2-yl)-2-propyl-isoindol-1-yl]sulfanylethylsulfanyl]-2-propyl-isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,6-Difluoro-1,3,5-triazin-2-yl)-3-[2-[3-(4,6-difluoro-1,3,5-triazin-2-yl)-2-propylisoindol-1-yl]sulfanylethylsulfanyl]-2-propylisoindole",NA,"CCCN1C(=C2C=CC=CC2=C1SCCSC3=C4C=CC=CC4=C(N3CCC)C5=NC(=NC(=N5)F)F)C6=NC(=NC(=N6)F)F","LQDQXKUBRRZJGA-UHFFFAOYSA-N",373229,NA,"PDBC08728","649236","Present",NA,NA
+"8729","1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-methyl-4-oxoquinazolin-5-yl)sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,6-Dimethoxypyrimidin-2-yl)-3-(3-methyl-4-oxo-quinazolin-5-yl)sulfonyl-urea",NA,"CN1C=NC2=C(C1=O)C(=CC=C2)S(=O)(=O)NC(=O)NC3=NC(=CC(=N3)OC)OC","PXSMSZTYNJURNZ-UHFFFAOYSA-N",388035,NA,"PDBC08729","682465","Present",NA,NA
+"8730","1-(4,6-Dimethyl-2-pyridyl)-3-(2-methoxyphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Dimethyl-2-pyridinyl)-N'-(2-methoxyphenyl)thiourea",NA,"CC1=CC(=NC(=C1)NC(=S)NC2=CC=CC=C2OC)C","AMLZEWRBTKOLMY-UHFFFAOYSA-N",3005373,NA,"PDBC08730","695061","Present",NA,NA
+"8731","1-(4,6-Dimethyl-2-pyridyl)-3-(4-methoxyphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Dimethyl-2-pyridinyl)-N'-(4-methoxyphenyl)thiourea",NA,"CC1=CC(=NC(=C1)NC(=S)NC2=CC=C(C=C2)OC)C","SWSIRLZXWRZLBD-UHFFFAOYSA-N",3005376,NA,"PDBC08731","695064","Present",NA,NA
+"8732","1-(4,7,7-Trimethyl-4-(methylthio)bicyclo[4.1.0]hept-3-yl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,7,7-Trimethyl-4-(methylthio)bicyclo[4.1.0]hept-3-yl)piperidine",NA,"CC1(C2C1CC(C(C2)N3CCCCC3)(C)SC)C","ATUFQGIVQRQCFZ-UHFFFAOYSA-N",375770,NA,"PDBC08732","655920","Present",NA,NA
+"8733","1-(4,7-Dioxabicyclo[3.2.0]heptan-3-yl)-4-imino-pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4,7-Dioxabicyclo[3.2.0]heptan-3-yl)-4-imino-pyrimidin-2-one",NA,"C1C2C(CO2)OC1N3C=CC(=NC3=O)N","MOOPEYFCYHHCPD-UHFFFAOYSA-N",355458,NA,"PDBC08733","609076","Present",NA,NA
+"8734","1-(4,8-Dioxothieno[2,3-f][1]benzothiol-2-yl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-[1-(acetylox...",NA,"CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3)OC(=O)C","NGBBUFDTQZQCTF-UHFFFAOYSA-N",388025,NA,"PDBC08734","682450","Present",NA,NA
+"8735","1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-(2-furyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-(2-furyl)-2-propen-1-one",NA,"C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)C=CC4=CC=CO4","XXIDJBJIWXDWAQ-VAWYXSNFSA-N",6110148,NA,"PDBC08735","645071","Present",NA,NA
+"8736","1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-phenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-((1H-Benzimidazol-2-ylmethyl)amino)phenyl)-3-phenyl-2-propen-1-one",NA,"C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3","KIMXFCUSPBTKHJ-XNTDXEJSSA-N",6105764,NA,"PDBC08736","645069","Present",NA,NA
+"8737","1-(4-(2,3-Dihydroxypropoxy)phenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-120108",NA,"CC(=O)C1=CC=C(C=C1)OCC(CO)O","WLBDHRQPFMZSBF-UHFFFAOYSA-N",366916,NA,"PDBC08737","635978","Present",NA,NA
+"8738","1-(4-(3-(4-Chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(3,4-dichlorophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-p...",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)Cl","GQISCJOLGWOVHQ-UHFFFAOYSA-N",56935207,NA,"PDBC08738","753180","Present",NA,NA
+"8739","1-(4-(4-(Benzamido)-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(4-(benzamido)-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl...",NA,"CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=CC=C(C=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6)C(F)(F)F","HDLRMBIQCXLNSV-UHFFFAOYSA-N",53361439,NA,"PDBC08739","752894","Present",NA,NA
+"8740","1-(4-(4-(Oxo(phenyl)acetyl)benzyl)phenyl)-2-phenyl-1,2-ethanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(4-(Oxo(phenyl)acetyl)benzyl)phenyl)-2-phenyl-1,2-ethanedione",NA,"C1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)CC3=CC=C(C=C3)C(=O)C(=O)C4=CC=CC=C4","XNTNXDQCEHVQBS-UHFFFAOYSA-N",365549,NA,"PDBC08740","633255","Present",NA,NA
+"8741","1-(4-(4-Methylphenyl)-5-phenyl-1,3-oxazol-2-yl)isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoquinoline, 1-(5-phenyl-4-p-tolyl-2-oxazolyl)-",NA,"CC1=CC=C(C=C1)C2=C(OC(=N2)C3=NC=CC4=CC=CC=C43)C5=CC=CC=C5","IOAOVPFXAIBMCW-UHFFFAOYSA-N",272358,NA,"PDBC08741","116702","Present",NA,NA
+"8742","1-(4-(Aminosulfonyl)anilino)cyclopentanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(Aminosulfonyl)anilino)cyclopentanecarboxylic acid",NA,"C1CCC(C1)(C(=O)O)NC2=CC=C(C=C2)S(=O)(=O)N","XBCUTCDSYTVMKW-UHFFFAOYSA-N",266689,NA,"PDBC08742","105432","Present",NA,NA
+"8743","1-(4-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(Trifluoromethyl)phenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)C(F)(F)F","MYYGTKQABBLHEM-UHFFFAOYSA-N",362619,NA,"PDBC08743","626760","Present",NA,NA
+"8744","1-(4-Acetamidophenyl)sulfonyl-5-oxo-N-phenylpyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776817",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC=CC=C3","MCKCCPGHMIUYNB-UHFFFAOYSA-N",155812870,NA,"PDBC08744","776817","Present",NA,NA
+"8745","1-(4-Acetyl-3,6-dihexyl-1,2,4,5-tetrazinan-1-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Acetyl-3,6-dihexyl-1,2,4,5-tetrazinan-1-yl)ethanone",NA,"CCCCCCC1NN(C(NN1C(=O)C)CCCCCC)C(=O)C","ZFYLBGQFWCVGOM-UHFFFAOYSA-N",256497,NA,"PDBC08745","83375","Present",NA,NA
+"8746","1-(4-Acetylphenylazo)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Acetylphenylazo)pyrrolidine",NA,"CC(=O)C1=CC=C(C=C1)N=NN2CCCC2","KGEHANXMOJGVLM-UHFFFAOYSA-N",390398,NA,"PDBC08746","687752","Present",NA,NA
+"8747","1-(4-Acetylpiperazin-1-yl)dodecan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Acetylpiperazin-1-yl)dodecan-1-one",NA,"CCCCCCCCCCCC(=O)N1CCN(CC1)C(=O)C","ZJRKDHAMYBRVAY-UHFFFAOYSA-N",245905,NA,"PDBC08747","58319","Present",NA,NA
+"8748","1-(4-Acridin-9-yloxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Acridin-9-yloxy)phenyl]ethanone",NA,"CC(=O)C1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42","IFNCLUIRBZQNJU-UHFFFAOYSA-N",404367,NA,"PDBC08748","720571","Present",NA,NA
+"8749","1-(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl)-3-phenyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-isoindolin-2-yl)-3-phenyl-thiourea",NA,"C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)NC(=S)NC5=CC=CC=C5)N)C#N","DUZVQDXWVRHQPP-UHFFFAOYSA-N",3005397,NA,"PDBC08749","697043","Present",NA,NA
+"8750","1-(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl)-3-phenyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl)-3-phenyl-thiourea",NA,"CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)NC(=S)NC3=CC=CC=C3)C","WSRMAEVZVIZRSZ-UHFFFAOYSA-N",3005396,NA,"PDBC08750","697042","Present",NA,NA
+"8751","1-(4-Aminobenzyl)-2-benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Aminobenzyl)-2-benzoyl-1,2-dihydro-1-isoquinolinecarbonitrile",NA,"C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=C(C=C4)N)C#N","OIHVFKGPPYQCFR-UHFFFAOYSA-N",363401,NA,"PDBC08751","628305","Present",NA,NA
+"8752","1-(4-Aminophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Aminophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline",NA,"CC1=CC2=CC3=C(C=C2C(=N1)C4=CC=C(C=C4)N)OCO3","ZHLRBDNNCVOICW-UHFFFAOYSA-N",404672,NA,"PDBC08752","721096","Present",NA,NA
+"8753","1-(4-Bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromo-3-methyl-phenyl)-5-prop-2-ynylsulfanyl-tetrazole",NA,"CC1=C(C=CC(=C1)N2C(=NN=N2)SCC#C)Br","MZYMILHVEGGJOR-UHFFFAOYSA-N",335168,NA,"PDBC08753","343550","Present",NA,NA
+"8754","1-(4-Bromo-phenyl)-3-(4-trifluoromethyl-pyrimidin-2-ylsulfan yl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromo-phenyl)-3-(4-trifluoromethyl-pyrimidin-2-ylsu...",NA,"C1=CC(=CC=C1C(=O)C=CSC2=NC=CC(=N2)C(F)(F)F)Br","ZZJWHXCDBSDRLP-VURMDHGXSA-N",24205335,NA,"PDBC08754","735170","Present",NA,NA
+"8755","1-(4-Bromoanilino)cyclopentane-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Bromophenyl)amino]cyclopentanecarbonitrile",NA,"C1CCC(C1)(C#N)NC2=CC=C(C=C2)Br","WGSHEWFMWCELQT-UHFFFAOYSA-N",238637,NA,"PDBC08755","43101","Present",NA,NA
+"8756","1-(4-Bromophenyl)-1-(5-(4-bromophenyl)-3-isopropyl-4,5-dihydro-1H-pyrazol-1-yl)-4-methyl-3-pentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-1-(5-(4-bromophenyl)-3-isopropyl-4,5-dihydro-1H-pyrazol-1-yl)-4-methyl-3-pentanone",NA,"CC(C)C1=NN(C(C1)C2=CC=C(C=C2)Br)C(CC(=O)C(C)C)C3=CC=C(C=C3)Br","FDBDZEWRZLJPBG-UHFFFAOYSA-N",374901,NA,"PDBC08756","653452","Present",NA,NA
+"8757","1-(4-Bromophenyl)-2-(3-iodo-4-hydroxy-5-methoxyphenyl)-3-chloroazetidine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-2-(3-iodo-4-hydroxy-5-methoxyphenyl)-3-chloroazetidine-4-one",NA,"COC1=C(C(=CC(=C1)C2C(C(=O)N2C3=CC=C(C=C3)Br)Cl)I)O","WKBZSTCAQSWCIN-UHFFFAOYSA-N",402893,NA,"PDBC08757","717210","Present",NA,NA
+"8758","1-(4-Bromophenyl)-2-methyl-1H-naphtho(2,3-d)imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Naphth[2,3-d]imidazole-4,9-dione, 1-(4-bromophenyl)-2...",NA,"CC1=NC2=C(N1C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4C2=O","APVKJXLEZCSCCT-UHFFFAOYSA-N",229013,NA,"PDBC08758","22348","Present",NA,NA
+"8759","1-(4-Bromophenyl)-3-(1H-indazol-3-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-bromophenyl)-3-(1H-indazol-3-yl)urea",NA,"C1=CC=C2C(=C1)C(=NN2)NC(=O)NC3=CC=C(C=C3)Br","XSKJXAWBFOPOAW-UHFFFAOYSA-N",25197647,NA,"PDBC08759","742794","Present",NA,NA
+"8760","1-(4-Bromophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=CC=C(C=C4)Br","ZUMGYHLYWWAMAU-UHFFFAOYSA-N",3005272,NA,"PDBC08760","687869","Present",NA,NA
+"8761","1-(4-Bromophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea",NA,"CC1=CC(=O)NC(=N1)S(=O)(=O)NC(=S)NC2=CC=C(C=C2)Br","IAQSHAPAEAZBRI-UHFFFAOYSA-N",135426664,NA,"PDBC08761","706042","Present",NA,NA
+"8762","1-(4-Bromophenyl)-3-[(E)-(4-nitrophenyl)methylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-3-[(E)-(4-nitrophenyl)methylideneamino]urea",NA,"C1=CC(=CC=C1C=NNC(=O)NC2=CC=C(C=C2)Br)[N+](=O)[O-]","MREIMMKDUCOWLY-CXUHLZMHSA-N",9572388,NA,"PDBC08762","715155","Present",NA,NA
+"8763","1-(4-Bromophenyl)-3-[2-[[3-(4-bromophenyl)-3-oxo-1-phenylpropylidene]amino]propylimino]-3-phenylpropan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-3-[2-[[3-(4-bromophenyl)-3-oxo-1-phenylpropylidene]amino]propylimino]-3-phenylpropan-1-one",NA,"CC(CN=C(CC(=O)C1=CC=C(C=C1)Br)C2=CC=CC=C2)N=C(CC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4","CLSNOVHSYJOEEI-UHFFFAOYSA-N",329419,NA,"PDBC08763","311978","Present",NA,NA
+"8764","1-(4-Bromophenyl)-3-carbamoylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-3-carbamoylurea",NA,"C1=CC(=CC=C1NC(=O)NC(=O)N)Br","OIAVPSZXWZTVCJ-UHFFFAOYSA-N",253519,NA,"PDBC08764","76518","Present",NA,NA
+"8765","1-(4-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)Br","VAZZLVFERHJLEV-UHFFFAOYSA-N",361996,NA,"PDBC08765","625475","Present",NA,NA
+"8766","1-(4-Bromophenyl)-4-methylpent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-4-methylpent-1-en-3-one",NA,"CC(C)C(=O)C=CC1=CC=C(C=C1)Br","NXRQXRLIGYBVGN-VMPITWQZSA-N",5909593,NA,"PDBC08766","651749","Present",NA,NA
+"8767","1-(4-Bromophenylsulfonyl)-2-(methylaminosulfonyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-bromophenylsulfonyl)-2-(methylaminosulfonyl)hydrazine",NA,"CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Br","XQTSZCCOCVYLNE-UHFFFAOYSA-N",373421,NA,"PDBC08767","649752","Present",NA,NA
+"8768","1-(4-Bromophenylsulfonyl)-2-(methylsulfonyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-bromophenylsulfonyl)-2-(methylsulfonyl)hydrazine",NA,"CS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Br","CKTMOODLJXHTJR-UHFFFAOYSA-N",373422,NA,"PDBC08768","649753","Present",NA,NA
+"8769","1-(4-Chloro-1-hydroxy-1-methoxy-3-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-1-hydroxy-1-methoxy-3-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexanecarboxamide",NA,"COC1(C2=C(C(=CC=C2)Cl)C(=O)N1C3(CCCCC3)C(=O)N)O","WZLAMSLIFDNPEP-UHFFFAOYSA-N",362762,NA,"PDBC08769","627022","Present",NA,NA
+"8770","1-(4-Chloro-2-nitro-phenyl)-3-(2-methyl-4-oxo-quinazolin-3-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-2-nitro-phenyl)-3-(2-methyl-4-oxo-quinazolin-3-yl)thiourea",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]","IGORMDMUCUBQLE-UHFFFAOYSA-N",3001685,NA,"PDBC08770","653939","Present",NA,NA
+"8771","1-(4-Chloro-2-nitro-phenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-2-nitro-phenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=C(C=C(C=C4)Cl)[N+](=O)[O-]","KLKOXOPIHWLRCF-UHFFFAOYSA-N",3004439,NA,"PDBC08771","653934","Present",NA,NA
+"8772","1-(4-Chloro-3-(trichloromethyl)-5-isothiazolyl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL329126",NA,"C1CCN(CC1)C2=C(C(=NS2)C(Cl)(Cl)Cl)Cl","IXONEFLPCMNSRT-UHFFFAOYSA-N",379920,NA,"PDBC08772","665112","Present",NA,NA
+"8773","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-chlorophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-chlorophenyl)urea",NA,"CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)Cl","STQQHZQEPYBXLF-UHFFFAOYSA-N",387436,NA,"PDBC08773","681185","Present",NA,NA
+"8774","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-fluoroanilino)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-fluoroanilino)urea",NA,"CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC=C(C=C2)F","YVVCBZAPCGJEAE-UHFFFAOYSA-N",387433,NA,"PDBC08774","681182","Present",NA,NA
+"8775","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-methylanilino)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(4-methylanilino)urea",NA,"CC1=CC=C(C=C1)NNC(=O)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)SC","FIJSMUZTCZXTBY-UHFFFAOYSA-N",387431,NA,"PDBC08775","681180","Present",NA,NA
+"8776","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(pyridin-2-ylamino)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(pyridin-2-ylamino)urea",NA,"CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC=CC=N2","IAJWVBHMZPFTIF-UHFFFAOYSA-N",387428,NA,"PDBC08776","681177","Present",NA,NA
+"8777","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(quinoxalin-2-ylamino)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-(quinoxalin-2-ylamino)urea",NA,"CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=NC3=CC=CC=C3N=C2","WKNBQMJYENHDOP-UHFFFAOYSA-N",387430,NA,"PDBC08777","681179","Present",NA,NA
+"8778","1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-[[6-(trifluoromethyl)pyridin-2-yl]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-5-methyl-2-methylsulfanylphenyl)sulfonyl-3-[[6-(trifluoromethyl)pyridin-2-yl]amino]urea",NA,"CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC=CC(=N2)C(F)(F)F","NYLGYYKWZALEPI-UHFFFAOYSA-N",387429,NA,"PDBC08778","681178","Present",NA,NA
+"8779","1-(4-Chloro-7-methoxyquinolin-2-yl)-3-(2,6-dimethylphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-7-methoxy-2-quinolyl)-3-(2,6-xylyl)urea",NA,"CC1=C(C(=CC=C1)C)NC(=O)NC2=NC3=C(C=CC(=C3)OC)C(=C2)Cl","BPKXTUAMQCILGN-UHFFFAOYSA-N",330430,NA,"PDBC08779","319023","Present",NA,NA
+"8780","1-(4-Chloro-7-methoxyquinolin-2-yl)-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-7-methoxy-2-quinolyl)-3-phenyl-2-thiourea",NA,"COC1=CC2=C(C=C1)C(=CC(=N2)NC(=S)NC3=CC=CC=C3)Cl","HZVNREMABNFFPU-UHFFFAOYSA-N",3246633,NA,"PDBC08780","319995","Present",NA,NA
+"8781","1-(4-Chloro-phenyl)-3-thiazol-2-yl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS016812",NA,"C1=CC(=CC=C1NC(=O)NC2=NC=CS2)Cl","KPRKVTCHPGWYQW-UHFFFAOYSA-N",324932,NA,"PDBC08781","291925","Present",NA,NA
+"8782","1-(4-Chloro-phenyl)-4-(3,4,5-trimethoxy-phenyl)-1,3-dihydro-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C2=CN(C(=O)N2)C3=CC=C(C=C3)Cl","SKNXIDOLEXJJAT-UHFFFAOYSA-N",44446873,NA,"PDBC08782","740129","Present",NA,NA
+"8783","1-(4-Chloroanilino)-3-(4-chloro-5-methyl-2-methylsulfanylphenyl)sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloroanilino)-3-(4-chloro-5-methyl-2-methylsulfanylphenyl)sulfonylurea",NA,"CC1=CC(=C(C=C1Cl)SC)S(=O)(=O)NC(=O)NNC2=CC=C(C=C2)Cl","RAWBSQZNHZUTEQ-UHFFFAOYSA-N",387434,NA,"PDBC08783","681183","Present",NA,NA
+"8784","1-(4-Chloroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2)NC5=CC=C(C=C5)Cl)C#N","MXXQURDFCZJTSX-UHFFFAOYSA-N",395412,NA,"PDBC08784","699948","Present",NA,NA
+"8785","1-(4-Chloroanilino)cyclopentanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TC-066301",NA,"C1CCC(C1)(C(=O)O)NC2=CC=C(C=C2)Cl","BJHGQMFLHAMKOJ-UHFFFAOYSA-N",242360,NA,"PDBC08785","50922","Present",NA,NA
+"8786","1-(4-Chlorobenzoyl)-2-benzoyl-4,4-diethylpyrazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorobenzoyl)-2-benzoyl-4,4-diethylpyrazolidine-3,5-dione",NA,"CCC1(C(=O)N(N(C1=O)C(=O)C2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3)CC","IPDIVZJGYSFDIA-UHFFFAOYSA-N",388185,NA,"PDBC08786","682750","Present",NA,NA
+"8787","1-(4-Chlorobenzoyl)-3-methyl-4-(4-methylphenyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin6-amine, 1-(4-chlorobenzoy...",NA,"CC1=CC=C(C=C1)C2C3=C(N=C(S2)N)N(N=C3C)C(=O)C4=CC=C(C=C4)Cl","ONGNGEMXYHVQDH-UHFFFAOYSA-N",376856,NA,"PDBC08787","657975","Present",NA,NA
+"8788","1-(4-Chlorobenzoyl)-3-methyl-4-phenyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazine-6-amine, 1-(4- chloroben...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","JQSQKJKBVGSOGK-UHFFFAOYSA-N",376846,NA,"PDBC08788","657965","Present",NA,NA
+"8789","1-(4-Chlorobenzoyl)-4,4-diethylpyrazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorobenzoyl)-4,4-diethylpyrazolidine-3,5-dione",NA,"CCC1(C(=O)NN(C1=O)C(=O)C2=CC=C(C=C2)Cl)CC","VBKLSJHEHRHDQI-UHFFFAOYSA-N",388181,NA,"PDBC08789","682746","Present",NA,NA
+"8790","1-(4-Chlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorobenzyl)-3,5,6-trimethyl-1H-indazole-7-carbonitrile",NA,"CC1=CC2=C(C(=C1C)C#N)N(N=C2C)CC3=CC=C(C=C3)Cl","IEZUHUKRTCDCQQ-UHFFFAOYSA-N",367594,NA,"PDBC08790","637426","Present",NA,NA
+"8791","1-(4-Chlorobenzyl)-4-(1-naphthyl)semicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorobenzyl)-4-(1-naphthyl)semicarbazide",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)NNCC3=CC=C(C=C3)Cl","WYESAAHFLHETQQ-UHFFFAOYSA-N",394859,NA,"PDBC08791","698947","Present",NA,NA
+"8792","1-(4-Chlorobenzylidene)-4-(1-naphthylmethyl)semicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorobenzylidene)-4-(1-naphthylmethyl)semicarbazide",NA,"C1=CC=C2C(=C1)C=CC=C2CNC(=O)NN=CC3=CC=C(C=C3)Cl","DPAOTXQZZDJOID-UUYOSTAYSA-N",6108562,NA,"PDBC08792","698946","Present",NA,NA
+"8793","1-(4-Chlorobut-2-ynyl)-4-(4-chlorobut-2-ynylsulfanyl)-3H-imidazo[4,5-c]pyridin-1-ium-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorobut-2-ynyl)-4-(4-chlorobut-2-ynylsulfanyl)-3H-imidazo[4,5-c]pyridin-1-ium-6-amine",NA,"C1=C2C(=C(N=C1N)SCC#CCCl)NC=[N+]2CC#CCCl","NNALYEBBNGDKAF-UHFFFAOYSA-O",60147613,NA,"PDBC08793","751820","Present",NA,NA
+"8794","1-(4-Chloronaphthalen-1-yl)-2-(dimethylamino)ethanol;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloronaphthalen-1-yl)-2-(dimethylamino)ethanol 4-methylbenzenesulfonate(1:1)",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.CN(C)CC(C1=CC=C(C2=CC=CC=C21)Cl)O","VAGOADMLDBRNCD-UHFFFAOYSA-N",230791,NA,"PDBC08794","26074","Present",NA,NA
+"8795","1-(4-Chloronaphthalen-1-yl)-2-(dipentylamino)ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloronaphthalen-1-yl)-2-(dipentylamino)ethanol;hydrochloride",NA,"CCCCCN(CCCCC)CC(C1=CC=C(C2=CC=CC=C21)Cl)O.Cl","UYEYPFAQJAPXQJ-UHFFFAOYSA-N",24181664,NA,"PDBC08795","10660","Present",NA,NA
+"8796","1-(4-Chlorophenyl)-2-(3-hydroxy-6,7-dimethyl-2-quinoxalinyl)-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-(3-hydroxy-6,7-dimethyl-2-quinoxalinyl)-1-propanone",NA,"CC1=CC2=C(C=C1C)N=C(C(=O)N2)C(C)C(=O)C3=CC=C(C=C3)Cl","QPJCMNLBPGOLEL-UHFFFAOYSA-N",341290,NA,"PDBC08796","373054","Present",NA,NA
+"8797","1-(4-Chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-(propan-2-ylideneamino)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-(4-methylphenyl)sulfonyl-3-(propan-2-ylideneamino)guanidine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NN=C(C)C","PMWGKBMYIAHMMS-UHFFFAOYSA-N",9572184,NA,"PDBC08797","706452","Present",NA,NA
+"8798","1-(4-Chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine",NA,"C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)N=C(N)NC3=CC=C(C=C3)Cl","DETFFZDWYCGCDT-UHFFFAOYSA-N",9572215,NA,"PDBC08798","707406","Present",NA,NA
+"8799","1-(4-Chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-[2-(4-methoxybenzoyl)benzimidazol-1-yl]ethanone",NA,"COC1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)Cl","OMNKHZNBQPNIHA-UHFFFAOYSA-N",45029096,NA,"PDBC08799","745454","Present",NA,NA
+"8800","1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonyl-3-(propan-2-ylideneamino)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonyl-3-(propan-2-ylideneamino)guanidine",NA,"CC(=NNC(=NS(=O)(=O)C1=CC(=C(C(=C1)Cl)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Cl)NC3=CC=C(C=C3)Cl)C","XXQAJEUEUYKFHV-UHFFFAOYSA-N",9572187,NA,"PDBC08800","706455","Present",NA,NA
+"8801","1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(4-nitrophenoxy)phenyl]sulfonyl-3-hydroxyguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(4-nitrophenoxy)phenyl]sulfonyl-3-hydroxyguanidine",NA,"C1=CC(=CC=C1NC(=NS(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=CC=C(C=C3)[N+](=O)[O-])Cl)NO)Cl","WUJIVTLYXHIWEG-UHFFFAOYSA-N",9572200,NA,"PDBC08801","707043","Present",NA,NA
+"8802","1-(4-Chlorophenyl)-2-[5-[3-(trifluoromethyl)pyridin-2-yl]thiophen-2-yl]sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-[5-[3-(trifluoromethyl)pyridin-2-yl]thiophen-2-yl]sulfonylguanidine",NA,"C1=CC(=C(N=C1)C2=CC=C(S2)S(=O)(=O)N=C(N)NC3=CC=C(C=C3)Cl)C(F)(F)F","GWXTUZOGIBRIFK-UHFFFAOYSA-N",9572212,NA,"PDBC08802","707403","Present",NA,NA
+"8803","1-(4-Chlorophenyl)-2-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indole",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)Cl)O","BNPOWAXLEKJHOE-UHFFFAOYSA-N",363552,NA,"PDBC08803","628516","Present",NA,NA
+"8804","1-(4-Chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3,5-dicarbonitrile",NA,"CSC1=C(C(=O)N(C(=C1C#N)O)C2=CC=C(C=C2)Cl)C#N","XPWGYUUNLODMCY-UHFFFAOYSA-N",392134,NA,"PDBC08804","692014","Present",NA,NA
+"8805","1-(4-Chlorophenyl)-3,3' =indoline]=2',4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-chlorophenyl)-3,3-diphenyl-1'-methylspiro[azetidin-...",NA,"CN1C2=CC=CC=C2C3(C1=O)C(C(=O)N3C4=CC=C(C=C4)Cl)(C5=CC=CC=C5)C6=CC=CC=C6","QTFBYRIOLWVHPI-UHFFFAOYSA-N",16096361,NA,"PDBC08805","737780","Present",NA,NA
+"8806","1-(4-Chlorophenyl)-3-((4-(2-(3-(4-chlorophenyl)-4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-2-oxoethoxy)phenoxy)acetyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[2-[4-[2-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"C1C(=O)N(C(=S)N(C1=O)C(=O)COC2=CC=C(C=C2)OCC(=O)N3C(=O)CC(=O)N(C3=S)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","CPQXNNCZHCTMIJ-UHFFFAOYSA-N",394034,NA,"PDBC08806","697152","Present",NA,NA
+"8807","1-(4-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiourea",NA,"C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=C(C=C3)Cl)C#N","PZGNMVIJICYTHG-UHFFFAOYSA-N",3005174,NA,"PDBC08807","679229","Present",NA,NA
+"8808","1-(4-Chlorophenyl)-3-(4-((10-(4-(3-(4-chlorophenyl)-3-oxo-1-propenyl)phenoxy)decyl)oxy)phenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Chlorophenyl)-3-[4-[10-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenoxy]decoxy]phenyl]prop-2-en-1-one",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)OCCCCCCCCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)Cl","GWEOPBQNEBFATJ-OCHFTUDZSA-N",5466902,NA,"PDBC08808","645381","Present",NA,NA
+"8809","1-(4-Chlorophenyl)-3-(4-(2-((10-((2-(4-(3-(4-chlorophenyl)-3-oxo-1-propenyl)phenoxy)ethyl)thio)decyl)thio)ethoxy)phenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 3,3'- [(1,10-decanediyl)bis(thioxy)bis(e...",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)Cl","GMNFCQXGIVQZTD-OCHFTUDZSA-N",5466901,NA,"PDBC08809","645379","Present",NA,NA
+"8810","1-(4-Chlorophenyl)-3-(4-(3-(4-(3-(4-chlorophenyl)-3-oxo-1-propenyl)phenoxy)propoxy)phenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Chlorophenyl)-3-[4-[3-[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenoxy]propoxy]phenyl]prop-2-en-1-one",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)Cl)OCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)Cl","BBVOEXBBDRZURQ-KPJWAMHRSA-N",5467238,NA,"PDBC08810","648892","Present",NA,NA
+"8811","1-(4-Chlorophenyl)-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiourea, N-(4-chlorophenyl)-N'-(4-oxo-2-phenyl-3(4H)-quinazolinyl)-",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=CC=C(C=C4)Cl","LXBVXPNYDRMULD-UHFFFAOYSA-N",3004438,NA,"PDBC08811","653933","Present",NA,NA
+"8812","1-(4-Chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazol-4-ol",NA,"C1=CC=C(C=C1)C2=NN=C(O2)C3=NN(C=C3O)C4=CC=C(C=C4)Cl","PFEPZIMNLUUCBV-UHFFFAOYSA-N",406094,NA,"PDBC08812","724037","Present",NA,NA
+"8813","1-(4-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-(6-methyl-2-pyridyl)thiourea",NA,"CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)Cl","KZGNLJVFKSDIRM-UHFFFAOYSA-N",3005381,NA,"PDBC08813","695325","Present",NA,NA
+"8814","1-(4-Chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=CC=C(C=C4)Cl","WPMSALVSBQFVIF-UHFFFAOYSA-N",3005269,NA,"PDBC08814","687866","Present",NA,NA
+"8815","1-(4-Chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfonyl]thiourea",NA,"CC1=CC(=O)NC(=N1)S(=O)(=O)NC(=S)NC2=CC=C(C=C2)Cl","YGWXGECBLBWYSX-UHFFFAOYSA-N",135426662,NA,"PDBC08815","706040","Present",NA,NA
+"8816","1-(4-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[(E)-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]thiourea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)Cl","YGVMMJFZOUIBOL-CIAFOILYSA-N",9571647,NA,"PDBC08816","695065","Present",NA,NA
+"8817","1-(4-Chlorophenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,"CC1=NC(=CC=C1)C=NNC(=S)NC2=CC=C(C=C2)Cl","KLBCCHSJGGXGIS-CXUHLZMHSA-N",9571483,NA,"PDBC08817","670964","Present",NA,NA
+"8818","1-(4-Chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=C(C=C3)Cl","IDSHYPMNWDCYON-UHFFFAOYSA-N",3005059,NA,"PDBC08818","668499","Present",NA,NA
+"8819","1-(4-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-chlorophenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea",NA,"CC(=NNC(=S)NC1=CC=C(C=C1)Cl)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=C(C=C3)Cl)C","GPWDYWVEELAISV-QKPCRAOOSA-N",6376018,NA,"PDBC08819","668483","Present",NA,NA
+"8820","1-(4-Chlorophenyl)-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea",NA,"C1COCCN1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2O)N=NC(=S)NC4=CC=C(C=C4)Cl","HSTLQRZKYKNZMD-UHFFFAOYSA-N",135426765,NA,"PDBC08820","716770","Present",NA,NA
+"8821","1-(4-Chlorophenyl)-3-[10-[3-(4-chlorophenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-10-oxo-decanoyl]-2-thioxo-hexahydropyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[10-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-10-oxodecanoyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"C1C(=O)N(C(=S)N(C1=O)C(=O)CCCCCCCCC(=O)N2C(=O)CC(=O)N(C2=S)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","STSAJZCIMHHDPW-UHFFFAOYSA-N",395653,NA,"PDBC08821","700435","Present",NA,NA
+"8822","1-(4-Chlorophenyl)-3-[2-[4-[2-[3-(4-chlorophenyl)-5-oxo-2-thioxo-imidazolidin-1-yl]-2-oxo-ethoxy]phenoxy]acetyl]-2-thioxo-imidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[2-[4-[2-[3-(4-chlorophenyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylideneimidazolidin-4-one",NA,"C1C(=O)N(C(=S)N1C2=CC=C(C=C2)Cl)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CN(C4=S)C5=CC=C(C=C5)Cl","QXECAIJPRONRJL-UHFFFAOYSA-N",394031,NA,"PDBC08822","697149","Present",NA,NA
+"8823","1-(4-Chlorophenyl)-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-chlorophenyl)-3-(4-(3,4,5-trimethoxyphenyl)thiazol-...",NA,"COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)NC3=CC=C(C=C3)Cl","AEVYSAGTYSCCGU-UHFFFAOYSA-N",155814970,NA,"PDBC08823","789272","Present",NA,NA
+"8824","1-(4-Chlorophenyl)-3-[6-[2-[(4-chlorophenyl)carbamothioylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[6-[2-[(4-chlorophenyl)carbamothioylamino]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea",NA,"C1CN(CC2=C1C(=C(S2)NC(=S)NC3=CC=C(C=C3)Cl)C#N)N4CCC5=C(C4)SC(=C5C#N)NC(=S)NC6=CC=C(C=C6)Cl","BJVWTTHAKOFKLZ-UHFFFAOYSA-N",5470733,NA,"PDBC08824","704848","Present",NA,NA
+"8825","1-(4-Chlorophenyl)-3-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[[2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiourea",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)Cl","FJTKGKVACRFTEB-UHFFFAOYSA-N",3000817,NA,"PDBC08825","691522","Present",NA,NA
+"8826","1-(4-Chlorophenyl)-3-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: ncmyum&mr dg",NA,"C1=CC(=CC=C1N=C(N)NC#N)Cl","JMEJOUCPQDFPFK-UHFFFAOYSA-N",15140,NA,"PDBC08826","74463","Present",NA,NA
+"8827","1-(4-Chlorophenyl)-3-hydroxy-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-hydroxy-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine",NA,"C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","KYILXLVCXMKUDB-UHFFFAOYSA-N",9572194,NA,"PDBC08827","707037","Present",NA,NA
+"8828","1-(4-Chlorophenyl)-3-phenyl-1H-furo[3,4-b]pyrrole-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-phenyl-1H-furo[3,4-b]pyrrole-4,6-dione",NA,"C1=CC=C(C=C1)C2=CN(C3=C2C(=O)OC3=O)C4=CC=C(C=C4)Cl","CFEZBAYUXAWVGA-UHFFFAOYSA-N",363267,NA,"PDBC08828","628018","Present",NA,NA
+"8829","1-(4-Chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-phenyl-4-(3,4,5-trimethoxyphenyl)imidazol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C2=CN(C(=O)N2C3=CC=CC=C3)C4=CC=C(C=C4)Cl","BZOFSVJDHWVMFT-UHFFFAOYSA-N",45028070,NA,"PDBC08829","740988","Present",NA,NA
+"8830","1-(4-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)Cl","IKOAISDPONXJQG-UHFFFAOYSA-N",361180,NA,"PDBC08830","624052","Present",NA,NA
+"8831","1-(4-Chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-4,9-dioxo-4,9-dihydro-1H-benzo[f]indazole-3-carboxylic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N(N=C3C(=O)O)C4=CC=C(C=C4)Cl","LUFJOPHUENGNNB-UHFFFAOYSA-N",338385,NA,"PDBC08831","360494","Present",NA,NA
+"8832","1-(4-Chlorophenyl)-4-((((4-(4-chlorophenyl)-2,5-dioxo-1-piperazinyl)amino)methyl)amino)-2,5-piperazinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-4-[[[4-(4-chlorophenyl)-2,5-dioxopiperazin-1-yl]amino]methylamino]piperazine-2,5-dione",NA,"C1C(=O)N(CC(=O)N1C2=CC=C(C=C2)Cl)NCNN3CC(=O)N(CC3=O)C4=CC=C(C=C4)Cl","GUYMEWFEHBCVTD-UHFFFAOYSA-N",376337,NA,"PDBC08832","657169","Present",NA,NA
+"8833","1-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-5-phenyl-1H-1,2,3-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-5-phenyl-1H-1,2,3-triazole",NA,"C1CN=C(N1)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","XKOGPZMSQJGTRV-UHFFFAOYSA-N",371079,NA,"PDBC08833","645025","Present",NA,NA
+"8834","1-(4-Chlorophenyl)-4-[2-[4-(4-chlorophenyl)-2,5-dioxo-piperazin-1-yl]ethyl]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-4-[2-[4-(4-chlorophenyl)-2,5-dioxo-piperazin-1-yl]ethyl]piperazine-2,5-dione",NA,"C1C(=O)N(CC(=O)N1CCN2CC(=O)N(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","JLOPLEQGALMMFD-UHFFFAOYSA-N",376333,NA,"PDBC08834","657165","Present",NA,NA
+"8835","1-(4-Chlorophenyl)-4-methyl-1-penten-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651750",NA,"CC(C)C(=O)C=CC1=CC=C(C=C1)Cl","JDMLNXSURTZNJA-VMPITWQZSA-N",5913388,NA,"PDBC08835","651750","Present",NA,NA
+"8836","1-(4-Chlorophenyl)-4-methylsulfanyl-2,6-dioxo-3H-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-4-methylsulfanyl-2,6-dioxo-3H-pyridine-3,5-dicarbonitrile",NA,"CSC1=C(C(=O)N(C(=O)C1C#N)C2=CC=C(C=C2)Cl)C#N","YRSYKWNCDNMKIT-UHFFFAOYSA-N",390322,NA,"PDBC08836","687614","Present",NA,NA
+"8837","1-(4-Chlorophenyl)-4-methylsulfanyl-2-oxo-6-sulfanyl-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-4-methylsulfanyl-2-oxo-6-sulfanyl-pyridine-3,5-dicarbonitrile",NA,"CSC1=C(C(=O)N(C(=C1C#N)S)C2=CC=C(C=C2)Cl)C#N","VHQKPPNAUMFCMK-UHFFFAOYSA-N",392160,NA,"PDBC08837","692040","Present",NA,NA
+"8838","1-(4-Chlorophenyl)-4-morpholino-6-oxo-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-4-morpholino-6-oxo-pyrimidine-5-carbonitrile",NA,"C1COCCN1C2=C(C(=O)N(C=N2)C3=CC=C(C=C3)Cl)C#N","CVLFTRHNRYUQGM-UHFFFAOYSA-N",395691,NA,"PDBC08838","700475","Present",NA,NA
+"8839","1-(4-Chlorophenyl)-5-methyl-4,6-dihydro-3h-pyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazole, 1-(p-chlorophenyl)-3,4-dihydr...",NA,"CC1=C2C(=CC3=C1CCN=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5N2","DRLPKPSUSZYUDY-UHFFFAOYSA-N",256427,NA,"PDBC08839","83292","Present",NA,NA
+"8840","1-(4-Chlorophenyl)-N,2-dimethyl-2-propanamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-N,2-dimethyl-2-propanamine hydrochloride",NA,"CC(C)(CC1=CC=C(C=C1)Cl)NC.Cl","DLDUPRPTFFIGDF-UHFFFAOYSA-N",24201724,NA,"PDBC08840","525445","Present",NA,NA
+"8841","1-(4-Chlorophenyl)-N-[2-(diethylamino)ethyl]-7-methoxy-4,5-dihydrobenzo[g]indazole-3-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[g]indazole-3-carboxamide,1-(4-chlorophenyl)- N-[...",NA,"CCN(CC)CCNC(=O)C1=NN(C2=C1CCC3=C2C=CC(=C3)OC)C4=CC=C(C=C4)Cl.Cl","DRMVKBWLBKXFCL-UHFFFAOYSA-N",5351294,NA,"PDBC08841","288010","Present",NA,NA
+"8842","1-(4-Chlorophenyl)sulfonyl-3-(2,3-dimethylphenyl)imidazolidin-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)sulfonyl-3-(2,3-dimethylphenyl)imidazolidin-2-imine",NA,"CC1=C(C(=CC=C1)N2CCN(C2=N)S(=O)(=O)C3=CC=C(C=C3)Cl)C","FYMWXFJUAMPWAI-UHFFFAOYSA-N",395133,NA,"PDBC08842","699424","Present",NA,NA
+"8843","1-(4-Chlorophenyl)sulfonyl-3-(2-methoxyphenyl)imidazolidin-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)sulfonyl-3-(2-methoxyphenyl)imidazolidin-2-imine",NA,"COC1=CC=CC=C1N2CCN(C2=N)S(=O)(=O)C3=CC=C(C=C3)Cl","NTBNDNDZCRRSMR-UHFFFAOYSA-N",395132,NA,"PDBC08843","699423","Present",NA,NA
+"8844","1-(4-Chlorophenyl)sulfonyl-3-[2-[[(E)-N-(4-chlorophenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]amino]ethyl]-2-methyl-isothiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-(4-chlorophenyl)sulfonyl-N'-[2-[[[(4-chlorophenyl)sulfonylamino]-methylsulfanylmethylidene]amino]ethyl]carbamimidothioate",NA,"CSC(=NCCN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)SC)NS(=O)(=O)C2=CC=C(C=C2)Cl","MZRSQYFYNXASHN-UHFFFAOYSA-N",382841,NA,"PDBC08844","670671","Present",NA,NA
+"8845","1-(4-Chlorophenylimino)-2-(4-chlorophenyl)isoindoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK688478",NA,"C1C2=CC=CC=C2C(=NC3=CC=C(C=C3)Cl)N1C4=CC=C(C=C4)Cl","UDXLICZFPRSKOW-UHFFFAOYSA-N",376360,NA,"PDBC08845","657192","Present",NA,NA
+"8846","1-(4-Chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloropyridine-2-carbonyl)pyrrolidine-2-carboxylic acid",NA,"C1CC(N(C1)C(=O)C2=NC=CC(=C2)Cl)C(=O)O","QHXNBROGMFPGNU-UHFFFAOYSA-N",386438,NA,"PDBC08846","678406","Present",NA,NA
+"8847","1-(4-Chloropyrrolo[2,3-d]pyrimidin-7-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)ethanone",NA,"CC(=O)N1C=CC2=C1N=CN=C2Cl","LPRFQMOPHAFADL-UHFFFAOYSA-N",373190,NA,"PDBC08847","649156","Present",NA,NA
+"8848","1-(4-Cyanophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Cyanophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)C#N","QTXIUOCGAKXPES-UHFFFAOYSA-N",362683,NA,"PDBC08848","626914","Present",NA,NA
+"8849","1-(4-Cyanopyridine-2-carbonyl)pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Cyanopyridine-2-carbonyl)pyrrolidine-2-carboxylic acid",NA,"C1CC(N(C1)C(=O)C2=NC=CC(=C2)C#N)C(=O)O","JAHFPJMOBOGBKU-UHFFFAOYSA-N",386437,NA,"PDBC08849","678405","Present",NA,NA
+"8850","1-(4-Diethylaminobenzyl)-4-n-hexyl-2,3-dioxopiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8XC2K63IJD",NA,"CCCCCCN1CCN(C(=O)C1=O)CC2=CC=C(C=C2)N(CC)CC","CGAMLDQVUWMUSB-UHFFFAOYSA-N",100732,NA,"PDBC08850","355639","Present",NA,NA
+"8851","1-(4-Ethoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Ethoxyphenyl)-3-(2-methyl-5-propan-2-ylphenyl)urea",NA,"CCOC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C(C)C)C","ZYDWOONFLRQTIK-UHFFFAOYSA-N",240168,NA,"PDBC08851","46213","Present",NA,NA
+"8852","1-(4-Fluoroanilino)-3-(4-methylphenyl)sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Fluoroanilino)-3-(4-methylphenyl)sulfonylurea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NNC2=CC=C(C=C2)F","LRIYKBIMNVLNTR-UHFFFAOYSA-N",387435,NA,"PDBC08852","681184","Present",NA,NA
+"8853","1-(4-Fluoroanilino)-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2)NC5=CC=C(C=C5)F)C#N","RCRISHAZXJYLJC-UHFFFAOYSA-N",395408,NA,"PDBC08853","699944","Present",NA,NA
+"8854","1-(4-Fluorophenyl)-2-(2-nitroimidazol-1-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Fluorophenyl)-2-(2-nitroimidazol-1-yl)ethanol",NA,"C1=CC(=CC=C1C(CN2C=CN=C2[N+](=O)[O-])O)F","FTSKHRPISYESAX-UHFFFAOYSA-N",370714,NA,"PDBC08854","644216","Present",NA,NA
+"8855","1-(4-Fluorophenyl)-2-(2-nitroimidazol-1-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Fluorophenyl)-2-(2-nitroimidazol-1-yl)ethanone",NA,"C1=CC(=CC=C1C(=O)CN2C=CN=C2[N+](=O)[O-])F","UCZWYNWDMGRFFD-UHFFFAOYSA-N",370713,NA,"PDBC08855","644214","Present",NA,NA
+"8856","1-(4-Fluorophenyl)-3-[5-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-4-methyl-1,3-thiazol-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Fluorophenyl)-3-[5-[[(4-fluorophenyl)carbamothioylamino]carbamoyl]-4-methyl-1,3-thiazol-2-yl]thiourea",NA,"CC1=C(SC(=N1)NC(=S)NC2=CC=C(C=C2)F)C(=O)NNC(=S)NC3=CC=C(C=C3)F","VFPJVNNQXFEJQZ-UHFFFAOYSA-N",24936201,NA,"PDBC08856","745923","Present",NA,NA
+"8857","1-(4-Fluorophenyl)-4-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Fluorophenyl)-4-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,"C1=CSC(=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=C(C=C3)F","SIFSFCWTJLQYKJ-UHFFFAOYSA-N",376699,NA,"PDBC08857","657743","Present",NA,NA
+"8858","1-(4-Fluorophenyl)-4-(7-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Fluorophenyl)-4-(7-methoxy-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)-1-butanone",NA,"COC1=CC2=C(C=C1)C3=C(N2)CCN(C3)CCCC(=O)C4=CC=C(C=C4)F","GZRNLIQYLURBGZ-UHFFFAOYSA-N",380020,NA,"PDBC08858","665314","Present",NA,NA
+"8859","1-(4-Fluorophenyl)-6-methoxy-1H,4-a]benzimidaz ole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Fluorophenyl)-6-methoxy-1H,3H-thiazolo[3,4-a]benzim...",NA,"COC1=CC2=C(C=C1)N3C(SCC3=N2)C4=CC=C(C=C4)F","WKJXKSHWSQESPW-UHFFFAOYSA-N",405742,NA,"PDBC08859","723303","Present",NA,NA
+"8860","1-(4-Fluorophenyl)propan-2-amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-503317",NA,"CC(CC1=CC=C(C=C1)F)N.Cl","GKWYMWZWSCKSMT-UHFFFAOYSA-N",120675,NA,"PDBC08860","93735","Present",NA,NA
+"8861","1-(4-Furo[2,3-b]quinolin-4-yloxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]ethanone",NA,"CC(=O)C1=CC=C(C=C1)OC2=C3C=COC3=NC4=CC=CC=C42","FCKWPLBUVFUNEW-UHFFFAOYSA-N",406545,NA,"PDBC08861","724693","Present",NA,NA
+"8862","1-(4-Hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-9-yl)-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-9-yl)-1-propanone",NA,"CCC(=O)C1=CC2=C(C=C1)NC3=C(C4=C(C(=C23)C)NC(=CC4=O)C)C","DQVPSIFKNRRLQU-UHFFFAOYSA-N",496094,NA,"PDBC08862","679262","Present",NA,NA
+"8863","1-(4-Hydroxy-2-(methylthio)-7-pteridinyl)-1,2,3,4-butanetetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Hydroxy-2-(methylthio)-7-pteridinyl)-1,2,3,4-butanetetrol",NA,"CSC1=NC2=NC(=CN=C2C(=O)N1)C(C(C(CO)O)O)O","QYMVMQNPXMFLEE-UHFFFAOYSA-N",135408921,NA,"PDBC08863","645748","Present",NA,NA
+"8864","1-(4-Hydroxybutyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Hydroxybutyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid",NA,"C1C(NC(C2=C1C3=CC=CC=C3N2)CCCCO)C(=O)O","HARFDEQUJYPSET-UHFFFAOYSA-N",270306,NA,"PDBC08864","112675","Present",NA,NA
+"8865","1-(4-Hydroxyphenyl)-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PTU 24",NA,"C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)O","PWLPSXPCUHUSAT-UHFFFAOYSA-N",703638,NA,"PDBC08865","140892","Present",NA,NA
+"8866","1-(4-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Hydroxyphenyl)-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NN=C4C5=CC=C(C=C5)O","QEEWROMIWCPNHC-UHFFFAOYSA-N",380671,NA,"PDBC08866","666365","Present",NA,NA
+"8867","1-(4-Iodo-phenyl)-5-(5-phenyl-isoxazol-4-yl)-1H-tetrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Iodo-phenyl)-5-(5-phenyl-isoxazol-4-yl)-1H-tetrazole",NA,"C1=CC=C(C=C1)C2=C(C=NO2)C3=NN=NN3C4=CC=C(C=C4)I","SOEWHMGYXDRMEE-UHFFFAOYSA-N",406240,NA,"PDBC08867","724285","Present",NA,NA
+"8868","1-(4-Iodophenyl)-3-(2-adamantyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Iodophenyl)-3-(2-adamantyl)guanidine",NA,"C1C2CC3CC1CC(C2)C3N=C(N)NC4=CC=C(C=C4)I","UUKPIWYXWLJPJF-UHFFFAOYSA-N",4239764,NA,"PDBC08868","788127","Present",NA,NA
+"8869","1-(4-Methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)ethanol",NA,"CC(C1C2C(C(O1)OC)OC(O2)(C)C)O","GSNRIRGBWBCNKC-UHFFFAOYSA-N",355455,NA,"PDBC08869","609073","Present",NA,NA
+"8870","1-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-3(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxy-2-methylphenyl)naphthol [2,1-c]furan-1(3H)-one",NA,"CC1=C(C=CC(=C1)OC)C2C3=C(C=CC4=CC=CC=C43)C(=O)O2","IYQMOQGZNJIZEF-UHFFFAOYSA-N",369148,NA,"PDBC08870","640735","Present",NA,NA
+"8871","1-(4-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxy-6-nitroacridin-9-yl)-2-(4-chlorophenyl)hydrazine",NA,"COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NNC4=CC=C(C=C4)Cl)[N+](=O)[O-]","NNDWHCOQABQZKZ-UHFFFAOYSA-N",3743024,NA,"PDBC08871","689868","Present",NA,NA
+"8872","1-(4-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxy-6-nitroacridin-9-yl)-2-phenylhydrazine",NA,"COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NNC4=CC=CC=C4)[N+](=O)[O-]","BEQAYMHXRFQWNN-UHFFFAOYSA-N",3600666,NA,"PDBC08872","689867","Present",NA,NA
+"8873","1-(4-Methoxyanilino)-1-(ethyl)-4-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-N-[1-(4-pyridyl)ethyl]aniline",NA,"CC(C1=CC=NC=C1)NC2=CC=C(C=C2)OC","XXHLFPSJCRQXCP-UHFFFAOYSA-N",383456,NA,"PDBC08873","671842","Present",NA,NA
+"8874","1-(4-Methoxyphenoxy)-2-methylpropan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenoxy)-2-methylpropan-2-ol",NA,"CC(C)(COC1=CC=C(C=C1)OC)O","OQWLNYIYSYBGIG-UHFFFAOYSA-N",358351,NA,"PDBC08874","618318","Present",NA,NA
+"8875","1-(4-Methoxyphenyl)-1,3-dimethyl-3-(4-nitrophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-1,3-dimethyl-3-(4-nitrophenyl)urea",NA,"CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)N(C)C2=CC=C(C=C2)OC","GNMFFSPPCBGGDJ-UHFFFAOYSA-N",381472,NA,"PDBC08875","668059","Present",NA,NA
+"8876","1-(4-Methoxyphenyl)-2,2-bis(4-phenylmethoxyphenyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis[4-(benzyloxy)phenyl]-1-(4-methoxyphenyl)ethanol",NA,"COC1=CC=C(C=C1)C(C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)O","NZZZKJVJPOSKSX-UHFFFAOYSA-N",370873,NA,"PDBC08876","644608","Present",NA,NA
+"8877","1-(4-Methoxyphenyl)-2,2-bis(4-phenylmethoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis[4-(benzyloxy)phenyl]-1-(4-methoxyphenyl)ethanone",NA,"COC1=CC=C(C=C1)C(=O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5","PCPWEXAJFWGMJQ-UHFFFAOYSA-N",370876,NA,"PDBC08877","644611","Present",NA,NA
+"8878","1-(4-Methoxyphenyl)-2,5-dimethyl-3-phenylpyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-methoxyphenyl)-2,5-dimethyl-3-phenyl-1H-pyrrole",NA,"CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CC=CC=C3","MBCPQNCYCXXTDW-UHFFFAOYSA-N",155811340,NA,"PDBC08878","764902","Present",NA,NA
+"8879","1-(4-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1H-imidazole",NA,"COC1=CC=C(C=C1)N2C=CN=C2C3=CC(=C(C(=C3)OC)OC)OC","PIGRRCXHADUOIM-UHFFFAOYSA-N",11688687,NA,"PDBC08879","735354","Present",NA,NA
+"8880","1-(4-Methoxyphenyl)-3,3'-indoline]-2',4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-methoxyphenyl)-3,3-bis(4-methylphenyl)-1'-methylspi...",NA,"CN1C2=CC=CC=C2C3(C1=O)C(C(=O)N3C4=CC=C(C=C4)OC)(C5=CC=CC=C5)C6=CC=CC=C6","KMNRRQZLXUEKJO-UHFFFAOYSA-N",16096359,NA,"PDBC08880","737779","Present",NA,NA
+"8881","1-(4-Methoxyphenyl)-3,4-trichloro-but-3-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-methoxyphenyl)-3,4,4-trichloro-but-3-en-1-one",NA,"COC1=CC=C(C=C1)C(=O)CC(=C(Cl)Cl)Cl","DQMQZRXMPLGIGP-UHFFFAOYSA-N",405824,NA,"PDBC08881","723511","Present",NA,NA
+"8882","1-(4-Methoxyphenyl)-3-((4-(2-(3-(4-methoxyphenyl)-4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-2-oxoethoxy)phenoxy)acetyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"COC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=S)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CC(=O)N(C4=S)C5=CC=C(C=C5)OC","HZNIJNVFHZZTOU-UHFFFAOYSA-N",394035,NA,"PDBC08882","697153","Present",NA,NA
+"8883","1-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)3-(3,4,5-Trimethoxyphenyl) Prop-2-one...",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC","XJYIPYGBDWACTE-BJMVGYQFSA-N",5351006,NA,"PDBC08883","631361","Present",NA,NA
+"8884","1-(4-Methoxyphenyl)-3-(4-((10-(4-(3-(4-methoxyphenyl)-3-oxo-1-propenyl)phenoxy)decyl)oxy)phenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Methoxyphenyl)-3-[4-[10-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]decoxy]phenyl]prop-2-en-1-one",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCCCCCCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)OC","PBMJSICNGYORIH-CMNXJCJSSA-N",5467688,NA,"PDBC08884","657870","Present",NA,NA
+"8885","1-(4-Methoxyphenyl)-3-(4-(3-(4-(3-(4-methoxyphenyl)-3-oxo-1-propenyl)phenoxy)propoxy)phenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Methoxyphenyl)-3-[4-[3-[4-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]phenoxy]propoxy]phenyl]prop-2-en-1-one",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=C(C=C4)OC","FIEBVKJFIQEXHC-NZRSMXNRSA-N",5467687,NA,"PDBC08885","657869","Present",NA,NA
+"8886","1-(4-Methoxyphenyl)-3-(4-methyl-2-pyridyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-N'-(4-methyl-2-pyridinyl)thiourea",NA,"CC1=CC(=NC=C1)NC(=S)NC2=CC=C(C=C2)OC","XUZVLSOHXKYDMM-UHFFFAOYSA-N",3005382,NA,"PDBC08886","695327","Present",NA,NA
+"8887","1-(4-Methoxyphenyl)-3-(5-methoxy-1H-benzoimidazole-2-yl)-beta-carboline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-methoxy-1H-benzo[d]imidazol-2-yl)-1-(4-methoxypheny...",NA,"COC1=CC=C(C=C1)C2=C3C(=CC(=N2)C4=NC5=C(N4)C=C(C=C5)OC)C6=CC=CC=C6N3","RLZFNFXVGCTDLL-UHFFFAOYSA-N",102220009,NA,"PDBC08887","765800","Present",NA,NA
+"8888","1-(4-Methoxyphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-methoxyphenyl)-3-(6-methyl-1H-benzo[d]imidazol-2-yl...",NA,"CC1=CC2=C(C=C1)N=C(N2)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC=C(C=C6)OC","NOIWXSZLBOAAHU-UHFFFAOYSA-N",155805104,NA,"PDBC08888","764568","Present",NA,NA
+"8889","1-(4-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,"COC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","VNBVXXOXAMYAFL-UHFFFAOYSA-N",3005271,NA,"PDBC08889","687868","Present",NA,NA
+"8890","1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]urea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)OC","JFOZFYPBIYNWCB-UHFFFAOYSA-N",381840,NA,"PDBC08890","668913","Present",NA,NA
+"8891","1-(4-Methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,"CC1=NC(=CC=C1)C=NNC(=S)NC2=CC=C(C=C2)OC","JTROJADUGZRALX-MHWRWJLKSA-N",9571482,NA,"PDBC08891","670963","Present",NA,NA
+"8892","1-(4-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-3-[(Z)-1-[6-[(Z)-N-[(4-methoxyphenyl)carbamothioylamino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]thiourea",NA,"CC(=NNC(=S)NC1=CC=C(C=C1)OC)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=C(C=C3)OC)C","JTKHOYAYUPIKBQ-MALYEEFDSA-N",6375828,NA,"PDBC08892","668486","Present",NA,NA
+"8893","1-(4-Methoxyphenyl)-3-[10-[3-(4-methoxyphenyl)-4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl]-10-oxo-decanoyl]-2-thioxo-hexahydropyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-3-[10-[3-(4-methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-10-oxodecanoyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"COC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=S)C(=O)CCCCCCCCC(=O)N3C(=O)CC(=O)N(C3=S)C4=CC=C(C=C4)OC","PFQLZSAFMXCSDJ-UHFFFAOYSA-N",395655,NA,"PDBC08893","700437","Present",NA,NA
+"8894","1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-5-oxo-2-thioxo-imidazolidin-1-yl]-2-oxo-ethoxy]phenoxy]acetyl]-2-thioxo-imidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-3-[2-[4-[2-[3-(4-methoxyphenyl)-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-2-sulfanylideneimidazolidin-4-one",NA,"COC1=CC=C(C=C1)N2CC(=O)N(C2=S)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CN(C4=S)C5=CC=C(C=C5)OC","GARCKZWVQHRBOD-UHFFFAOYSA-N",394032,NA,"PDBC08894","697150","Present",NA,NA
+"8895","1-(4-Methoxyphenyl)-4-methyl-1-penten-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2Z3552U0OY",NA,"CC(C)C(=O)C=CC1=CC=C(C=C1)OC","ZIXVMEYRFPMOAV-RMKNXTFCSA-N",5373780,NA,"PDBC08895","651746","Present",NA,NA
+"8896","1-(4-Methoxyphenyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,"CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2C3=CC=C(C=C3)OC)C)C)C","WQMQKRHQGOKJGE-UHFFFAOYSA-N",391906,NA,"PDBC08896","691587","Present",NA,NA
+"8897","1-(4-Methoxyphenyl)-4-methylsulfanyl-2,6-dioxo-3H-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-4-methylsulfanyl-2,6-dioxo-3H-pyridine-3,5-dicarbonitrile",NA,"COC1=CC=C(C=C1)N2C(=O)C(C(=C(C2=O)C#N)SC)C#N","RBXBSHVGUQNSDB-UHFFFAOYSA-N",390308,NA,"PDBC08897","687600","Present",NA,NA
+"8898","1-(4-Methoxyphenyl)-5-phenyl-2,3-bis(2-thienyl)pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-5-phenyl-2,3-bis(2-thienyl)pyrrole",NA,"COC1=CC=C(C=C1)N2C(=CC(=C2C3=CC=CS3)C4=CC=CS4)C5=CC=CC=C5","YBHIJPKGACWFCS-UHFFFAOYSA-N",395531,NA,"PDBC08898","700221","Present",NA,NA
+"8899","1-(4-Methoxyphenyl)sulfonyl-5-oxopyrrolidine-2-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)sulfonyl-5-oxo-pyrrolidine-2-carbohydrazide",NA,"COC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NN","ALCNWTPUCAEWFD-UHFFFAOYSA-N",393742,NA,"PDBC08899","696267","Present",NA,NA
+"8900","1-(4-Methoxyphenylazo)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XYVPTQBXFHRJJR-VHEBQXMUSA-N",NA,"COC1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O","XYVPTQBXFHRJJR-UHFFFAOYSA-N",139450,NA,"PDBC08900","70811","Present",NA,NA
+"8901","1-(4-Methoxyphenylethynyl)-1H-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzotriazole, 1-(p-methoxyphenylethynyl)",NA,"COC1=CC=C(C=C1)C#CN2C3=CC=CC=C3N=N2","QFCMXLTZVNVKMV-UHFFFAOYSA-N",400577,NA,"PDBC08901","712700","Present",NA,NA
+"8902","1-(4-Methoxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid",NA,"COC1=CC(=NC=C1)C(=O)N2CCCC2C(=O)O","PBHULYFMJCXPQC-UHFFFAOYSA-N",386441,NA,"PDBC08902","678409","Present",NA,NA
+"8903","1-(4-Methyl-2-pyridyl)-3-(4-nitrophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methyl-2-pyridyl)-3-(4-nitrophenyl)thiourea",NA,"CC1=CC(=NC=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]","BHYBUPLWNZSQFP-UHFFFAOYSA-N",3005389,NA,"PDBC08903","695336","Present",NA,NA
+"8904","1-(4-Methylphenyl)-3-[(4-methylphenyl)carbamothioylamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methylphenyl)-3-[(4-methylphenyl)carbamothioylamino]thiourea",NA,"CC1=CC=C(C=C1)NC(=S)NNC(=S)NC2=CC=C(C=C2)C","LBGSTDNBOJSFJU-UHFFFAOYSA-N",4268411,NA,"PDBC08904","42070","Present",NA,NA
+"8905","1-(4-Methylphenyl)-3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-sulfanylideneimidazolidine-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methylphenyl)-3-[(Z)-(2-oxo-1H-indol-3-ylidene)amino]-2-sulfanylideneimidazolidine-4,5-dione",NA,"CC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)N=C3C4=CC=CC=C4NC3=O","WPWXNKZJOBVGRP-UHFFFAOYSA-N",135436174,NA,"PDBC08905","711649","Present",NA,NA
+"8906","1-(4-Methylphenyl)-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-p-Tolyl-3-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl...",NA,"CC1=CC=C(C=C1)C(=O)C=CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F","CGRIBUPTAJPNPA-MDZDMXLPSA-N",1046793,NA,"PDBC08906","723913","Present",NA,NA
+"8907","1-(4-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methylphenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"CC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2","FQIOKSYXWYQRQN-UHFFFAOYSA-N",382385,NA,"PDBC08907","669943","Present",NA,NA
+"8908","1-(4-Methylphenyl)-4-(2-phenylhydrazino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methylphenyl)-4-(2-phenylhydrazino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,"CC1=CC=C(C=C1)N2C3=C(C(=NNC3=O)NNC4=CC=CC=C4)N=N2","AQMWRZRCRUSQLD-UHFFFAOYSA-N",386622,NA,"PDBC08908","679076","Present",NA,NA
+"8909","1-(4-Methylphenyl)sulfonyl-3-(1H-1,2,4-triazol-5-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(((((4-Methylphenyl)sulfonyl)amino)carbonyl)amino)-1H-1,2,4-triazole",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC=NN2","LJNUZETZYDBYKN-UHFFFAOYSA-N",328629,NA,"PDBC08909","307711","Present",NA,NA
+"8910","1-(4-Morpholinomethyl)-1H-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"91S3WP4AQU",NA,"C1COCCN1CN2C3=CC=CC=C3N=N2","YZYQTUBWZGCDLR-UHFFFAOYSA-N",79626,NA,"PDBC08910","29448","Present",NA,NA
+"8911","1-(4-Morpholinyl)tricyclo[4.4.0.0~2,5~]decane-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Morpholin-4-yltricyclo[4.4.0.02,5]decane-2-carboxamide",NA,"C1CCC2(C(C1)C3C2(CC3)C(=O)N)N4CCOCC4","VHTKZMLCDHTFHU-UHFFFAOYSA-N",362135,NA,"PDBC08911","625711","Present",NA,NA
+"8912","1-(4-Nitrobenzoyl)piperidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrobenzoyl)piperidin-2-one",NA,"C1CCN(C(=O)C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]","JMGVBIQIKMIKDH-UHFFFAOYSA-N",386113,NA,"PDBC08912","677745","Present",NA,NA
+"8913","1-(4-Nitrobenzylidene)-4-(2-naphthyl)semicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrobenzylidene)-4-(2-naphthyl)semicarbazide",NA,"C1=CC=C2C=C(C=CC2=C1)NC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","DAIGGMQSRPNLMQ-UNOMPAQXSA-N",5907800,NA,"PDBC08913","689299","Present",NA,NA
+"8914","1-(4-Nitrobenzylidene)-4-(6-methoxy-2-naphthyl)semicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrobenzylidene)-4-(6-methoxy-2-naphthyl)semicarbazide",NA,"COC1=CC2=C(C=C1)C=C(C=C2)NC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","IUNFBMDULNORTL-NDENLUEZSA-N",5901199,NA,"PDBC08914","690273","Present",NA,NA
+"8915","1-(4-Nitrophenyl)-1-phenyl-4-pyrrolidin-1-yl-but-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrophenyl)-1-phenyl-4-(pyrrolidin-1-yl)but-2-yn-1-ol",NA,"C1CCN(C1)CC#CC(C2=CC=CC=C2)(C3=CC=C(C=C3)[N+](=O)[O-])O","DPUSEYVMAHGNQL-UHFFFAOYSA-N",384663,NA,"PDBC08915","674708","Present",NA,NA
+"8916","1-(4-Nitrophenyl)-2-(4-nonylpyridin-1-ium-1-yl)ethanone;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrophenyl)-2-(4-nonylpyridin-1-ium-1-yl)ethanone;bromide",NA,"CCCCCCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]","LHYZSAMAOBMUAG-UHFFFAOYSA-M",24181044,NA,"PDBC08916","4307","Present",NA,NA
+"8917","1-(4-Nitrophenyl)-2-(pyrrolidin-1-yl)diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrophenyl)-2-(pyrrolidin-1-yl)diazene",NA,"C1CCN(C1)N=NC2=CC=C(C=C2)[N+](=O)[O-]","VBIXEELEFIOGQR-UHFFFAOYSA-N",390397,NA,"PDBC08917","687751","Present",NA,NA
+"8918","1-(4-Nitrophenyl)-3-(2-pyridyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrophenyl)-3-(2-pyridyl)thiourea",NA,"C1=CC=NC(=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]","IKPNWTCMAUGXEP-UHFFFAOYSA-N",3005383,NA,"PDBC08918","695329","Present",NA,NA
+"8919","1-(4-Nitrophenyl)-3-[(9E,12Z)-octadeca-9,12-dienyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrophenyl)-3-[(9E,12Z)-octadeca-9,12-dienyl]urea",NA,"CCCCCC=CCC=CCCCCCCCCNC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]","HFWGBPPQJSGWJH-IXWMQOLASA-N",5356823,NA,"PDBC08919","67041","Present",NA,NA
+"8920","1-(4-Nitrophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrophenyl)-3-[(Z)-(2-oxoindolin-3-ylidene)amino]thiourea",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]","MHYVZUBLPVZWEL-UHFFFAOYSA-N",3705169,NA,"PDBC08920","670960","Present",NA,NA
+"8921","1-(4-Nitrophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-nitrophenyl)-3-methyl-6,7-methylenedioxy-isoquinoline",NA,"CC1=CC2=CC3=C(C=C2C(=N1)C4=CC=C(C=C4)[N+](=O)[O-])OCO3","BHVKBVYLGQUKEY-UHFFFAOYSA-N",404207,NA,"PDBC08921","720374","Present",NA,NA
+"8922","1-(4-Nitrophenyl)-5-oxo-4-propyl-4,5-dihydro[1,3]thiazolo[3,2-a]quinazolin-10-ium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrophenyl)-5-oxo-4-propyl-4,5-dihydro[1,3]thiazolo[3,2-a]quinazolin-10-ium bromide",NA,"CCCN1C(=O)C2=CC=CC=C2[N+]3=C1SC=C3C4=CC=C(C=C4)[N+](=O)[O-].[Br-]","QEBVUGFQZMQSHS-UHFFFAOYSA-M",376590,NA,"PDBC08922","657603","Present",NA,NA
+"8923","1-(4-Nitrophenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrophenyl)ethyl N-[2-chloroethyl(methylsulfonyl)amino]-N-methylsulfonylcarbamate",NA,"CC(C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)N(N(CCCl)S(=O)(=O)C)S(=O)(=O)C","DEZODTPLVNXUTD-UHFFFAOYSA-N",9868067,NA,"PDBC08923","728913","Present",NA,NA
+"8924","1-(4-Nitrophenylazo)-2-hydroxynaphthalene-3-carboxanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-[(4-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide",NA,"C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)[N+](=O)[O-]","VZEZEKXEFKSTBJ-UHFFFAOYSA-N",239857,NA,"PDBC08924","45596","Present",NA,NA
+"8925","1-(4-Pentadecylphenyl)-2-pyridin-1-ium-1-ylethanone;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium, 1-[2-oxo-2-(4-pentadecylphenyl)ethyl]-, iodide",NA,"CCCCCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC=C2.[I-]","YCFNFMQQVRRYRI-UHFFFAOYSA-M",21144530,NA,"PDBC08925","158414","Present",NA,NA
+"8926","1-(4-Pentenyl)-2-piperidinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Pentenyl)-2-piperidinethione",NA,"C=CCCCN1CCCCC1=S","FVEHFQSIHIAVHQ-UHFFFAOYSA-N",373269,NA,"PDBC08926","649422","Present",NA,NA
+"8927","1-(4-Pentoxyphenyl)-N-[4-[2-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Pentoxyphenyl)-N-[4-[2-[4-[(4-pentoxyphenyl)methylideneamino]phenyl]ethyl]phenyl]methanimine",NA,"CCCCCOC1=CC=C(C=C1)C=NC2=CC=C(C=C2)CCC3=CC=C(C=C3)N=CC4=CC=C(C=C4)OCCCCC","MSJWCDJREGIZCR-UHFFFAOYSA-N",357335,NA,"PDBC08927","615602","Present",NA,NA
+"8928","1-(4-Phenyl-1,3-dithiol-2-yl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Phenyl-1,3-dithiol-2-yl)piperidine",NA,"C1CCN(CC1)C2SC=C(S2)C3=CC=CC=C3","ADBWETCLQOHQHB-UHFFFAOYSA-N",325089,NA,"PDBC08928","292692","Present",NA,NA
+"8929","1-(4-Phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)pentane-1,2,3,4,5-pentol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)pentane-1,2,3,4,5-pentol",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=C4C(C(C(C(CO)O)O)O)O","LPGHFBZYOOBXDK-UHFFFAOYSA-N",24205450,NA,"PDBC08929","735808","Present",NA,NA
+"8930","1-(4-Phenylphenyl)-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(biphenyl-4-yl)-2-oxoethyl]-3,5,7-triaza-1-azoniatr...",NA,"C1N2CN3CN1C[N+](C2)(C3)CC(=O)C4=CC=C(C=C4)C5=CC=CC=C5.[I-]","CRAOGNOTDDTUBO-UHFFFAOYSA-M",5351745,NA,"PDBC08930","35450","Present",NA,NA
+"8931","1-(4-Sulfamoylbenzyl)-3-(p-tolylsulfonyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Sulfamoylbenzyl)-3-(p-tolylsulfonyl)urea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC2=CC=C(C=C2)S(=O)(=O)N","SUISBJIQAXBTPL-UHFFFAOYSA-N",395825,NA,"PDBC08931","700717","Present",NA,NA
+"8932","1-(4-{3-[4-(2-Methoxy phenyl)hexahydro-1-pyrazinyl]propoxy}phenyl)-2-(2-oxo-2,3-dihydro-1H-3-indolyliden)-1-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-{3-[4-(2-methoxy phenyl)hexahydro-1-pyrazinyl]propo...",NA,"COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)C(=O)C=C4C5=CC=CC=C5NC4=O","CZWVQPPTHSWRMK-NJNXFGOHSA-N",45028190,NA,"PDBC08932","741458","Present",NA,NA
+"8933","1-(4-{[5-(2-Hydroxy-phenyl)-2-thiox o-[1,4]oxadiazol-3-ylmethyl]-amin o}-phenyl)-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-{[5-(2-Hydroxy-phenyl)-2-thiox o-[1,3,4]oxadiazol-3...",NA,"CC(=O)C1=CC=C(C=C1)NCN2C(=S)OC(=N2)C3=CC=CC=C3O","BZJBYBVHJYZQJD-UHFFFAOYSA-N",135585516,NA,"PDBC08933","731987","Present",NA,NA
+"8934","1-(4Ah-Carbazol-9(9aH)-yl)-2-(diphenylamino)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4aH-Carbazol-9(9aH)-yl)-2-(diphenylamino)ethanone",NA,"C1=CC=C(C=C1)N(CC(=O)N2C3C=CC=CC3C4=CC=CC=C42)C5=CC=CC=C5","HCRSOINTWGKLNB-UHFFFAOYSA-N",375090,NA,"PDBC08934","654103","Present",NA,NA
+"8935","1-(4H-3,1-Benzoxazin-2-yl)imidazolidin-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione",NA,"C1CN(C(=S)N1)C2=NC3=CC=CC=C3CO2","CYYPTOGRNRPRKE-UHFFFAOYSA-N",45028034,NA,"PDBC08935","740810","Present",NA,NA
+"8936","1-(5'-Fluoro-6'-hydroxy-5',6'-dihydrouracil-5'-yl)-5-fluorouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5'-Fluoro-6'-hydroxy-5',6'-dihydrouracil-5'-yl)-5-flu...",NA,"C1=C(C(=O)NC(=O)N1C2(C(NC(=O)NC2=O)O)F)F","NLAFMRFXDRRFSK-UHFFFAOYSA-N",379482,NA,"PDBC08936","664145","Present",NA,NA
+"8937","1-(5,6-Dichloro-2,4-disulfamoylphenyl)-3-(p-tolylsulfonyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5,6-Dichloro-2,4-disulfamoylphenyl)-3-(p-tolylsulfonyl)urea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=C(C(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl)Cl","XGDNBPSADFJVLS-UHFFFAOYSA-N",396510,NA,"PDBC08937","702695","Present",NA,NA
+"8938","1-(5,6-Dimethylbenzothiazol-2-yl)-4-[(3-nitrophenyl)methylene]-2-phenyl-1,3-di azolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(3-nitrophenyl)methylidene]-2-phenylimidazol-4-one",NA,"CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC(=CC=C4)[N+](=O)[O-])C3=O)C5=CC=CC=C5","YQKVTJNTENMRST-STZFKDTASA-N",5471543,NA,"PDBC08938","711857","Present",NA,NA
+"8939","1-(5,6-Dimethylbenzothiazol-2-yl)-4-[(4-methylthiophenyl)methylene]-2-phenyl-1,3-diazolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(5,6-Dimethyl-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",NA,"CC1=CC2=C(C=C1C)SC(=N2)N3C(=NC(=CC4=CC=C(C=C4)SC)C3=O)C5=CC=CC=C5","PXMNMPNLLYUNHV-JCMHNJIXSA-N",5471545,NA,"PDBC08939","711859","Present",NA,NA
+"8940","1-(5,6-Diphenyl-1,2,4-triazin-3-yl)-3-phenyl-1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5,6-Diphenyl-1,2,4-triazin-3-yl)-3-phenyl-1-[(E)-[(E)-3-phenylprop-2-enylidene]amino]thiourea",NA,"C1=CC=C(C=C1)C=CC=NN(C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5","BQFSHCDZAXFXHG-ZVABOPLWSA-N",9554722,NA,"PDBC08940","640637","Present",NA,NA
+"8941","1-(5,8-Dimethoxy-1-naphthyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5,8-Dimethoxy-1-naphthyl)ethanone",NA,"CC(=O)C1=CC=CC2=C(C=CC(=C21)OC)OC","QYCPCTSAMIMLQQ-UHFFFAOYSA-N",376840,NA,"PDBC08941","657958","Present",NA,NA
+"8942","1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)butan-1-ol",NA,"CCCC(C1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)[N+](=O)[O-])C)O","SUHUHRCJFKHDNW-UHFFFAOYSA-N",374583,NA,"PDBC08942","652556","Present",NA,NA
+"8943","1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)ethanone hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)ethanone hydrazone",NA,"CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)C(=NN)C)C)[N+](=O)[O-]","KRBRNDLWTOCOTD-GRSHGNNSSA-N",6078917,NA,"PDBC08943","652561","Present",NA,NA
+"8944","1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)hexan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)hexan-1-one",NA,"CCCCCC(=O)C1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)[N+](=O)[O-])C","PRXOEVBGDSMKHD-UHFFFAOYSA-N",374585,NA,"PDBC08944","652558","Present",NA,NA
+"8945","1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)propan-1-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5,8-Dimethyl-6-nitro-9H-carbazol-3-yl)propan-1-one oxime",NA,"CCC(=NO)C1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)[N+](=O)[O-])C","KGAIHAUUDGFXDP-UYRXBGFRSA-N",6273655,NA,"PDBC08945","652560","Present",NA,NA
+"8946","1-(5-(3,4-Dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-(3,4-Dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol",NA,"COC1=C(C=C(C=C1)C2CC(=NN2)C3=C(C=CC4=CC=CC=C43)O)OC","QYRRINJOHZQPOP-UHFFFAOYSA-N",390433,NA,"PDBC08946","687787","Present",NA,NA
+"8947","1-(5-(3-(1,3-Benzodioxol-5-yl)-5-phenyl-2-furyl)-2-thienyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-(3-(1,3-Benzodioxol-5-yl)-5-phenyl-2-furyl)-2-thienyl)ethanone",NA,"CC(=O)C1=CC=C(S1)C2=C(C=C(O2)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5","HYXUDRJIGUUASB-UHFFFAOYSA-N",395509,NA,"PDBC08947","700199","Present",NA,NA
+"8948","1-(5-(3-Methyl-5-isoxazolyl)-1H-pyrrol-2-yl)-2,2,2-triphenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-(3-Methyl-5-isoxazolyl)-1H-pyrrol-2-yl)-2,2,2-triphenylethanone",NA,"CC1=NOC(=C1)C2=CC=C(N2)C(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5","KYWWGTKCWXHCGV-UHFFFAOYSA-N",393091,NA,"PDBC08948","694475","Present",NA,NA
+"8949","1-(5-(8-(5-(1-Piperidinyl)-1,3,4-oxadiazol-2-yl)octyl)-1,3,4-oxadiazol-2-yl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-(8-(5-(1-Piperidinyl)-1,3,4-oxadiazol-2-yl)octyl)-1,3,4-oxadiazol-2-yl)piperidine",NA,"C1CCN(CC1)C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)N4CCCCC4","QSAAYCMBTXGCHP-UHFFFAOYSA-N",394064,NA,"PDBC08949","697182","Present",NA,NA
+"8950","1-(5-Bromo-2-thienyl)-1-propanone O-ethyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Bromo-2-thienyl)-1-propanone O-ethyloxime",NA,"CCC(=NOCC)C1=CC=C(S1)Br","BUNIMHCQAOEESB-XFFZJAGNSA-N",6375274,NA,"PDBC08950","681317","Present",NA,NA
+"8951","1-(5-Bromo-2-thienyl)-1-propanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Bromo-2-thienyl)-1-propanone oxime",NA,"CCC(=NO)C1=CC=C(S1)Br","PQQTWLXMARBUML-UITAMQMPSA-N",6375867,NA,"PDBC08951","681316","Present",NA,NA
+"8952","1-(5-Bromo-4-nitrothiophen-2-yl)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Bromo-4-nitrothiophen-2-yl)propan-1-one",NA,"CCC(=O)C1=CC(=C(S1)Br)[N+](=O)[O-]","JDEVKENZHCONKI-UHFFFAOYSA-N",220712,NA,"PDBC08952","3847","Present",NA,NA
+"8953","1-(5-Chloro-2,4-disulfamoylphenyl)-3-(p-tolylsulfonyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Chloro-2,4-disulfamoylphenyl)-3-(p-tolylsulfonyl)urea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=C(C=C2S(=O)(=O)N)S(=O)(=O)N)Cl","WIQQSAWZLPLKFB-UHFFFAOYSA-N",396509,NA,"PDBC08953","702694","Present",NA,NA
+"8954","1-(5-Chloro-2-hydroxyphenylazo)-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flazo Orange",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)Cl)O)O","HQKOBNMULFASAN-UHFFFAOYSA-N",77111,NA,"PDBC08954","83218","Present",NA,NA
+"8955","1-(5-Chloro-2-methoxyphenyl)-2-(dipentylamino)ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Chloro-2-methoxyphenyl)-2-(dipentylamino)ethanol;hydrochloride",NA,"CCCCCN(CCCCC)CC(C1=C(C=CC(=C1)Cl)OC)O.Cl","UYKZCNJYTZGPCZ-UHFFFAOYSA-N",24181655,NA,"PDBC08955","10641","Present",NA,NA
+"8956","1-(5-Chloro-2-nitro-phenyl)-3,5-diphenyl-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Chloro-2-nitrophenyl)-3,5-diphenyl-1H-pyrazole",NA,"C1=CC=C(C=C1)C2=CC(=NN2C3=C(C=CC(=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4","YONVRKBDXGZABX-UHFFFAOYSA-N",382941,NA,"PDBC08956","670824","Present",NA,NA
+"8957","1-(5-Chloro-2-thienyl)-3-(3-thienyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Chloro-2-thienyl)-3-(3-thienyl)-2-propen-1-one",NA,"C1=CSC=C1C=CC(=O)C2=CC=C(S2)Cl","KQHRVKAQGYEHQH-OWOJBTEDSA-N",5467678,NA,"PDBC08957","657749","Present",NA,NA
+"8958","1-(5-Chloro-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)ethyl 4-morpholinecarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Chloro-3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)ethyl 4-morpholinecarbodithioate",NA,"CC(C1=CC2=C(C=C1Cl)N(C(=O)O2)C)SC(=S)N3CCOCC3","XPXWUJKAOQFDEU-UHFFFAOYSA-N",365106,NA,"PDBC08958","632133","Present",NA,NA
+"8959","1-(5-Chloro-6-fluorobenzothiazol-2-yl)-4-[(4-methylthiophenyl)methylene]-2-phe nyl-1,3-diazolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-(5-Chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-[(4-methylsulfanylphenyl)methylidene]-2-phenylimidazol-4-one",NA,"CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=NC5=CC(=C(C=C5S4)F)Cl","FALLISFTNUJCPP-JAIQZWGSSA-N",5471525,NA,"PDBC08959","711839","Present",NA,NA
+"8960","1-(5-Chloronaphthalenesulfonyl)homopiperazine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Chloronaphthalenesulfonyl)homopiperazine hydrochloride",NA,"C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3Cl.Cl","ZNRYCIVTNLZOGI-UHFFFAOYSA-N",108047,NA,"PDBC08960","734549","Present",NA,NA
+"8961","1-(5-Dimethoxymethyl-4-hydroxy-2-hydroxymethyl-tetrahydro-furan-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(Dimethoxymethyl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-fluoropyrimidine-2,4-dione",NA,"COC(C1C(C(C(O1)CO)N2C=C(C(=O)NC2=O)F)O)OC","PVANNJOKKPSCMK-UHFFFAOYSA-N",393726,NA,"PDBC08961","696244","Present",NA,NA
+"8962","1-(5-Methyl-2,4-dinitrophenyl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dinitro-5-N-pyrrolidinotoluene",NA,"CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2CCCC2","ZEQJUVSCPZFGIE-UHFFFAOYSA-N",389491,NA,"PDBC08962","685714","Present",NA,NA
+"8963","1-(5-Methyl-4-methylene-6,8-dioxabicyclo[3.2.1]oct-1-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Methyl-4-methylene-6,8-dioxabicyclo[3.2.1]oct-1-yl)ethanone",NA,"CC(=O)C12CCC(=C)C(O1)(OC2)C","UBHGCQCEMZTODD-UHFFFAOYSA-N",362180,NA,"PDBC08963","625764","Present",NA,NA
+"8964","1-(5-Methylbenzo[f][2,7]naphthyridin-4-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Methylbenzo[c][2,7]naphthyridin-4-yl)ethanone",NA,"CC1=NC2=CC=CC=C2C3=C1C(=NC=C3)C(=O)C","CCVWLYHHYMPQPG-UHFFFAOYSA-N",403408,NA,"PDBC08964","718209","Present",NA,NA
+"8965","1-(5-Methylheptan-3-yl)-3-[2-(5-methylheptan-3-ylamino)ethyl]imidazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Methylheptan-3-yl)-3-{2-[(5-methylheptan-3-yl)amino]ethyl}imidazolidine-2-thione",NA,"CCC(C)CC(CC)NCCN1CCN(C1=S)C(CC)CC(C)CC","CIWBMSQYQSFOND-UHFFFAOYSA-N",249745,NA,"PDBC08965","68415","Present",NA,NA
+"8966","1-(5-Nitro-1-benzothiophen-2-yl)-N-pyrazin-2-ylmethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Nitro-1-benzothiophen-2-yl)-N-pyrazin-2-ylmethanimine",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C=NC3=NC=CN=C3","QBHJVBZLEBCLGX-UHFFFAOYSA-N",400287,NA,"PDBC08966","711821","Present",NA,NA
+"8967","1-(5-Oxo-3-phenyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Oxo-3-phenyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N3C(=O)C=CC3=O","VCTDFAKGEDXZFO-UHFFFAOYSA-N",388160,NA,"PDBC08967","682724","Present",NA,NA
+"8968","1-(5-Oxo-3-propyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Oxo-3-propyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione",NA,"CCCC1=NNC(=O)N1N2C(=O)C=CC2=O","JJSHNTJQZKDCIP-UHFFFAOYSA-N",388159,NA,"PDBC08968","682723","Present",NA,NA
+"8969","1-(5-Pent-4-enylfuran-2-yl)tridecan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Pent-4-enylfuran-2-yl)tridecan-1-ol",NA,"CCCCCCCCCCCCC(C1=CC=C(O1)CCCC=C)O","XQCXNHYAYYRBRZ-UHFFFAOYSA-N",24205350,NA,"PDBC08969","735213","Present",NA,NA
+"8970","1-(5-Phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-phenyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-naphthol",NA,"C1=CC=C(C=C1)C2=NNC(S2)C3=C(C=CC4=CC=CC=C43)O","QIHMPEZAXBQNBF-UHFFFAOYSA-N",3136570,NA,"PDBC08970","752631","Present",NA,NA
+"8971","1-(5-Undecylfuran-2-yl)pent-4-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Undecylfuran-2-yl)pent-4-en-1-ol",NA,"CCCCCCCCCCCC1=CC=C(O1)C(CCC=C)O","AVNRFEKFASGBSM-UHFFFAOYSA-N",24205351,NA,"PDBC08971","735214","Present",NA,NA
+"8972","1-(6,6-Dichloro-4-oxabicyclo[3.1.0]hexan-5-yl)benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6,6-Dichloro-4-oxabicyclo[3.1.0]hexan-5-yl)benzimidazole",NA,"C1COC2(C1C2(Cl)Cl)N3C=NC4=CC=CC=C43","FBFWSQQSRNUUDF-UHFFFAOYSA-N",388073,NA,"PDBC08972","682536","Present",NA,NA
+"8973","1-(6,7-Dichloro-1-(4-chlorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6,7-Dichloro-1-(4-chlorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol",NA,"C1=CC(=CC=C1N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(C(CO)O)O)O)Cl)Cl)Cl","AVORHLCCZHJPOW-UHFFFAOYSA-N",365567,NA,"PDBC08973","633362","Present",NA,NA
+"8974","1-(6,7-Dichloro-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6,7-Dichloro-1-(4-fluorophenyl)-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol",NA,"C1=CC(=CC=C1N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(C(CO)O)O)O)Cl)Cl)F","UOJGTRSFHPXGMP-UHFFFAOYSA-N",365569,NA,"PDBC08974","633364","Present",NA,NA
+"8975","1-(6,7-Dichloro-1-phenyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2,3-dihydroxypropyl hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(6,7-Dichloro-1-phenylpyrazolo[3,4-b]quinolin-3-yl)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"C1=CC=C(C=C1)N2C3=C(C=C4C=C(C(=CC4=N3)Cl)Cl)C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O","DPRUXQRNRABTOH-UHFFFAOYSA-N",365563,NA,"PDBC08975","633358","Present",NA,NA
+"8976","1-(6,7-Dichloro-1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6,7-Dichloro-1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3,4-butanetetrol",NA,"C1=CC=C(C=C1)N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(C(CO)O)O)O)Cl)Cl","DCNOQABWTKMHAI-UHFFFAOYSA-N",365566,NA,"PDBC08976","633361","Present",NA,NA
+"8977","1-(6,7-Dichloro-1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3-propanetriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6,7-Dichloro-1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-1,2,3-propanetriol",NA,"C1=CC=C(C=C1)N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(CO)O)O)Cl)Cl","JKZVIHCLEIAROD-UHFFFAOYSA-N",365573,NA,"PDBC08977","633368","Present",NA,NA
+"8978","1-(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)cyclohexanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanol, 1-(1,2,3,4-tetrahydro-6,7-dimethoxy-1-isoq...",NA,"COC1=C(C=C2C(NCCC2=C1)C3(CCCCC3)O)OC","AUNGERODPATJIY-UHFFFAOYSA-N",374760,NA,"PDBC08978","653004","Present",NA,NA
+"8979","1-(6,7-Dimethoxy-2-thiophen-2-ylquinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4,5-trimethoxyphenyl)-1-[(6,7-dimethoxy-2-(2-thieny...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=CC(=C(C=C54)OC)OC)C6=CC=CS6","GHWVEADPFDYXSK-UHFFFAOYSA-N",405788,NA,"PDBC08979","723431","Present",NA,NA
+"8980","1-(6,7-Dimethyl-1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)ethane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6,7-Dimethyl-1-phenyl-1h-pyrazolo[3,4-b]quinoxalin-3-yl)ethane-1,2-diol",NA,"CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3C4=CC=CC=C4)C(CO)O","FWBABSFHSPDGRT-UHFFFAOYSA-N",400839,NA,"PDBC08980","713359","Present",NA,NA
+"8981","1-(6-(Hydroxymethyl)-2,2-diphenyltetrahydrofuro[3,4-d][1,3,2]dioxastannol-4-yl)-4-imino-3,4-dihydro-2(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[6-(hydroxymethyl)-2,2-diphenyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-4-yl]pyrimidin-2-one",NA,"C1=CC=C(C=C1)[Sn]2(OC3C(OC(C3O2)N4C=CC(=NC4=O)N)CO)C5=CC=CC=C5","BZWSVBLGVDPVFX-UHFFFAOYSA-N",16682876,NA,"PDBC08981","268665","Present",NA,NA
+"8982","1-(6-Bromo-2-chloroquinolin-3-yl)-N-(3-methoxyphenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Bromo-2-chloroquinolin-3-yl)-N-(3-methoxyphenyl)methanimine",NA,"COC1=CC=CC(=C1)N=CC2=C(N=C3C=CC(=CC3=C2)Br)Cl","XRCTWBYZTMBTQR-UHFFFAOYSA-N",402200,NA,"PDBC08982","716091","Present",NA,NA
+"8983","1-(6-Bromo-2-chloroquinolin-3-yl)-N-(4-chlorophenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Bromo-2-chloroquinolin-3-yl)-N-(4-chlorophenyl)methanimine",NA,"C1=CC(=CC=C1N=CC2=C(N=C3C=CC(=CC3=C2)Br)Cl)Cl","ZFAVBSUUAKSFJQ-UHFFFAOYSA-N",402198,NA,"PDBC08983","716089","Present",NA,NA
+"8984","1-(6-Bromo-2-thiophen-2-ylquinazolin-4-yl)-2-(3,4,5-trimethoxyphenyl)-4H-1,3,4-benzotriazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4,5-trimethoxyphenyl)-1-[(6-bromo-2-(2-thienyl)-4- ...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6","ZIGICGKVIOHWGX-UHFFFAOYSA-N",405787,NA,"PDBC08984","723430","Present",NA,NA
+"8985","1-(6-Bromo-2-thiophen-2-ylquinazolin-4-yl)-2-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(para-methoxyphenyl)-1-[(6-bromo-2-(2-thienyl)-4- quin...",NA,"COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=C4C=C(C=C5)Br)C6=CC=CS6","FLDNGWRPAJEGIJ-UHFFFAOYSA-N",405785,NA,"PDBC08985","723428","Present",NA,NA
+"8986","1-(6-Chloro-1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-7-chloro-2,3-dihydro-1h-imidazo[1,2-a]benzimidazole",NA,"CC(=O)N1CCN2C1=NC3=C2C=CC(=C3)Cl","NMDPADWGHCMEIZ-UHFFFAOYSA-N",400917,NA,"PDBC08986","713601","Present",NA,NA
+"8987","1-(6-Chloro-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-chloro-1H-benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl...",NA,"COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)Cl","IWCZCUTVJDICGF-UHFFFAOYSA-N",155806870,NA,"PDBC08987","766332","Present",NA,NA
+"8988","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2,4-dichlorophenyl)-2-hydroxyethanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2,4-dichlorophenyl)-2-hydroxyethanone oxime",NA,"C1=CC(=C(C=C1Cl)Cl)C(C(=NO)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","FTSMJSLJKOUTRA-LPYMAVHISA-N",135499171,NA,"PDBC08988","641816","Present",NA,NA
+"8989","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2-furyl)-2-hydroxyethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2-furyl)-2-hydroxyethanone",NA,"C1=COC(=C1)C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","NLRKLVGUTXNYLN-UHFFFAOYSA-N",372012,NA,"PDBC08989","646828","Present",NA,NA
+"8990","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(3,4-dichlorophenyl)-2-hydroxyethanone hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(3,4-dichlorophenyl)-2-hydroxyethanone hydrazone",NA,"C1=CC(=C(C=C1C(C(=NN)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O)Cl)Cl","UTKNKVOJGQJRON-YDZHTSKRSA-N",135499263,NA,"PDBC08990","647581","Present",NA,NA
+"8991","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(3,4-dichlorophenyl)-2-hydroxyethanone phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(3,4-dichlorophenyl)-2-hydroxyethanone phenylhydrazone",NA,"C1=CC=C(C=C1)NN=C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(C4=CC(=C(C=C4)Cl)Cl)O","PMLAZFNALDRGOH-VUTHCHCSSA-N",135499267,NA,"PDBC08991","647586","Present",NA,NA
+"8992","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(4-(2-(6-chloro-3-hydroxy-2-quinoxalinyl)-1-hydroxy-2-propenyl)phenyl)-2-hydroxyethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3-[3-[4-[2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-1-hydroxy-2-oxoethyl]phenyl]-3-hydroxyprop-1-en-2-yl]-1H-quinoxalin-2-one",NA,"C=C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(C3=CC=C(C=C3)C(C(=O)C4=NC5=C(C=C(C=C5)Cl)NC4=O)O)O","BQTSHKGFVYSUCO-UHFFFAOYSA-N",369723,NA,"PDBC08992","641818","Present",NA,NA
+"8993","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(3-(hydroxy(oxido)amino)phenyl)ethanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethanone oxime",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=NO)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","SVSIEPUBEGWJQC-DEDYPNTBSA-N",135499201,NA,"PDBC08993","644728","Present",NA,NA
+"8994","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(4-(hydroxy(oxido)amino)phenyl)ethanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-(4-nitrophenyl)ethanone oxime",NA,"C1=CC(=CC=C1C(C(=NO)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O)[N+](=O)[O-]","BUNZELLKAVADAP-DEDYPNTBSA-N",135499245,NA,"PDBC08994","646830","Present",NA,NA
+"8995","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(4-methoxyphenyl)ethanone hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(4-methoxyphenyl)ethanone hydrazone",NA,"COC1=CC=C(C=C1)C(C(=NN)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","PTQUNNORZBNADX-HYARGMPZSA-N",135499272,NA,"PDBC08995","647600","Present",NA,NA
+"8996","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-phenylethanone",NA,"C1=CC=C(C=C1)C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","LHJMXYKCYVXKAC-UHFFFAOYSA-N",369641,NA,"PDBC08996","641596","Present",NA,NA
+"8997","1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-3-methyl-4-phenyl-3-buten-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-3-methyl-4-phenyl-3-buten-1-one",NA,"CC(=CC1=CC=CC=C1)C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","HSSPPEBUFOKZNP-PKNBQFBNSA-N",5466709,NA,"PDBC08997","641598","Present",NA,NA
+"8998","1-(6-Chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3-[hydroxy(3-nitrophenyl)acetyl]quinoxalin-2(1H)-one",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=O)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","DAGRAJRLTRMOGW-UHFFFAOYSA-N",370079,NA,"PDBC08998","642638","Present",NA,NA
+"8999","1-(6-Chloro-8,8,9,9-tetrafluoro-1-oxa-4-thiaspiro[4.4]non-6-en-7-yl)-4-methylpiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-8,8,9,9-tetrafluoro-1-oxa-4-thiaspiro[4.4]non-6-en-7-yl)-4-methylpiperazine",NA,"CN1CCN(CC1)C2=C(C3(C(C2(F)F)(F)F)OCCS3)Cl","MHRMAHXWWOASEL-UHFFFAOYSA-N",388034,NA,"PDBC08999","682464","Present",NA,NA
+"9000","1-(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-yl)ethanone",NA,"CC(=O)C1=C2CCCC3=C(C=C(C(=C32)O1)OC)Cl","AMXADDHMSMFSKI-UHFFFAOYSA-N",361581,NA,"PDBC09000","624762","Present",NA,NA
+"9001","1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)-2-[3-(dimethylamino)propylamino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)-2-[3-(dimethylamino)propylamino]ethanol",NA,"CCCCCCCCCCOC1C2C(OC1C(CNCCCN(C)C)O)OC3(O2)CCCCC3","UZGBOUMQJONBMI-UHFFFAOYSA-N",380658,NA,"PDBC09001","666346","Present",NA,NA
+"9002","1-(6-Ethoxy-6H-quinolino[3,4-b]quinoxalin-5-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Ethoxy-6H-quinolino[3,4-b]quinoxalin-5-yl)ethanone",NA,"CCOC1C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4N1C(=O)C","XNDVILKXIRIEPC-UHFFFAOYSA-N",360054,NA,"PDBC09002","621852","Present",NA,NA
+"9003","1-(6-Fluoro-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-fluoro-1H-benzo[d]imidazol-2-yl)-3-(4-methoxyphenyl...",NA,"COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)F","MVRNDEWDXKBSHJ-UHFFFAOYSA-N",155813090,NA,"PDBC09003","766325","Present",NA,NA
+"9004","1-(6-Fluoro-1H-benzimidazol-2-yl)-3-phenylimidazo[1,5-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-fluoro-1H-benzo[d]imidazol-2-yl)-3-phenylimidazo[1,...",NA,"C1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)F","AAHRUGAMRVQPOV-UHFFFAOYSA-N",155808295,NA,"PDBC09004","766340","Present",NA,NA
+"9005","1-(6-Hydroxy-4-phenyl-[1]benzofuro[2,3-b]pyridin-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-6-hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine",NA,"CC(=O)C1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O","RTDFHOPDAYJLII-UHFFFAOYSA-N",403993,NA,"PDBC09005","720028","Present",NA,NA
+"9006","1-(6-Methoxy-1H-benzimidazol-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-methoxy-2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-...",NA,"COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)OC","KHVHWUWRNUXTIB-UHFFFAOYSA-N",155810047,NA,"PDBC09006","766330","Present",NA,NA
+"9007","1-(6-Methoxynaphthalen-2-yl)-3-(1,2,4-triazol-4-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Methoxy-2-naphthyl)-3-(1,2,4-triazol-4-yl)urea",NA,"COC1=CC2=C(C=C1)C=C(C=C2)NC(=O)NN3C=NN=C3","RSPNVFARXUVMHP-UHFFFAOYSA-N",393653,NA,"PDBC09007","695918","Present",NA,NA
+"9008","1-(6-Methoxypyridazin-3-yl)-3-(4-methylphenyl)sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Methoxypyridazin-3-yl)-3-(4-methylphenyl)sulfonylurea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NN=C(C=C2)OC","XSKMTTMRVZBNSH-UHFFFAOYSA-N",359885,NA,"PDBC09008","621500","Present",NA,NA
+"9009","1-(6-Methoxyquinolin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Methoxyquinolin-4-yl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyridine-3,7-dione",NA,"COC1=CC2=C(C=CN=C2C=C1)C3C4CC(=O)CCN4C(=O)O3","RXOJZJOWFPUODE-UHFFFAOYSA-N",359585,NA,"PDBC09009","620579","Present",NA,NA
+"9010","1-(6-Methyl-1H-benzoimidazole-2-yl)-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-methoxyphenyl)-1-(6-methyl-1H-benzo[d]imidazol-2-yl...",NA,"CC1=CC2=C(C=C1)N=C(N2)C3=C4C=CC=CN4C(=N3)C5=CC=C(C=C5)OC","SPBXIBVJMFCHFD-UHFFFAOYSA-N",101882094,NA,"PDBC09010","766338","Present",NA,NA
+"9011","1-(6-Methyl-2-pyridyl)-3-(4-nitrophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Methyl-2-pyridyl)-3-(4-nitrophenyl)thiourea",NA,"CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]","XFINBMJXGVWKFS-UHFFFAOYSA-N",3005388,NA,"PDBC09011","695335","Present",NA,NA
+"9012","1-(6-Methyl-5-oxo-2H-pyran-2-yl)-5-(trifluoromethyl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Trifluoromethyl-1-(2,3,6-trideoxy-.alpha.-L-glycero-he...",NA,"CC1C(=O)C=CC(O1)N2C=C(C(=O)NC2=O)C(F)(F)F","FGLZZIWQINLZJG-UHFFFAOYSA-N",367924,NA,"PDBC09012","638122","Present",NA,NA
+"9013","1-(6-Methylpyridin-2-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-44864",NA,"CC1=NC(=CC=C1)C(C)O","CHPLROKJXHCPLY-UHFFFAOYSA-N",353138,NA,"PDBC09013","600388","Present",NA,NA
+"9014","1-(6-Nitrobenzotriazol-1-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Nitrobenzotriazol-1-yl)ethanone",NA,"CC(=O)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1","XMMVCGPEALKLGY-UHFFFAOYSA-N",365033,NA,"PDBC09014","631968","Present",NA,NA
+"9015","1-(6-Piperidin-1-ium-1-ylidene-9-thiophen-2-ylxanthen-3-yl)piperidine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6-Piperidin-1-ium-1-ylidene-9-thiophen-2-ylxanthen-3-yl)piperidine;chloride",NA,"C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=CS6.[Cl-]","FWMCYVIWSSYEFA-UHFFFAOYSA-M",25140221,NA,"PDBC09015","751817","Present",NA,NA
+"9016","1-(7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-yl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,...",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","LRLXUQCQYHLPOQ-UHFFFAOYSA-N",146604,NA,"PDBC09016","375501","Present",NA,NA
+"9017","1-(7-Chloro-1-phenyl-1H-pyrazolo[3,4-b]quinoxalin-3-yl)-2,3-dihydroxypropyl hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(7-Chloro-1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"C1=CC=C(C=C1)N2C3=NC4=C(C=CC(=C4)Cl)N=C3C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O","YOZITTYNMPGMHE-UHFFFAOYSA-N",365572,NA,"PDBC09017","633367","Present",NA,NA
+"9018","1-(7-Chloro-2-methyl-4-quinolyl)-5-phenyl-triazole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Chloro-2-methyl-4-quinolyl)-5-phenyl-triazole-4-carboxylic acid",NA,"CC1=CC(=C2C=CC(=CC2=N1)Cl)N3C(=C(N=N3)C(=O)O)C4=CC=CC=C4","GJKZPRPNDKINJE-UHFFFAOYSA-N",387517,NA,"PDBC09018","681328","Present",NA,NA
+"9019","1-(7-Chloronaphthalen-1-yl)-2-(dihexylamino)ethan-1-ol--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Chloronaphthalen-1-yl)-2-(dihexylamino)ethanol;hydrochloride",NA,"CCCCCCN(CCCCCC)CC(C1=CC=CC2=C1C=C(C=C2)Cl)O.Cl","MMJFNCJHCYULOI-UHFFFAOYSA-N",24181635,NA,"PDBC09019","10586","Present",NA,NA
+"9020","1-(7-Fluoro-3-methyl-quinoxalin-2-yl)-3-(3,5-trimethoxy-phenyl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Fluoro-3-methyl-quinoxalin-2-yl)-3-(3,4,5-trimethox...",NA,"CC1=C(N=C2C=C(C=CC2=N1)F)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","LJERGNRAKGRFBU-VMPITWQZSA-N",45029310,NA,"PDBC09020","746087","Present",NA,NA
+"9021","1-(7-Methoxy-1-methylene-8-nitro-4,9-dihydro-3H-pyrido[3,4-b]indol-2-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Methoxy-1-methylene-8-nitro-4,9-dihydro-3H-pyrido[3,4-b]indol-2-yl)ethanone",NA,"CC(=O)N1CCC2=C(C1=C)NC3=C2C=CC(=C3[N+](=O)[O-])OC","FNNNVWJBLDOSJD-UHFFFAOYSA-N",363624,NA,"PDBC09021","628653","Present",NA,NA
+"9022","1-(7-Methoxybenzofuran-4-yl)but-3-yn-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Methoxy-1-benzofuran-4-yl)but-3-yn-2-ol",NA,"COC1=C2C(=C(C=C1)CC(C#C)O)C=CO2","BNTWGSRBOPPNOR-UHFFFAOYSA-N",387526,NA,"PDBC09022","681432","Present",NA,NA
+"9023","1-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=C(C=C(C=C5OC)OC)OC","KRINWZZUUKORDT-UHFFFAOYSA-N",380590,NA,"PDBC09023","666240","Present",NA,NA
+"9024","1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazine, 1-[7,8-dihydro-8-(3,4,5-trimethoxyphenyl)- 7-...",NA,"CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","YFARKMXUKUVOFZ-UHFFFAOYSA-N",381385,NA,"PDBC09024","667925","Present",NA,NA
+"9025","1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","QBHMXIRXGGQMKW-UHFFFAOYSA-N",380587,NA,"PDBC09025","666237","Present",NA,NA
+"9026","1-(7-Oxospiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-yl)-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Oxospiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-yl)-3-phenylthiourea",NA,"C1=CC=C(C=C1)NC(=S)NC2=CSC3=NC(=O)C4(C5=CC=CC=C5C6=CC=CC=C64)NN23","XHXGHDSOXSSWPR-UHFFFAOYSA-N",3001568,NA,"PDBC09026","658733","Present",NA,NA
+"9027","1-(7-Oxospiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-yl)-3-prop-2-enylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Oxospiro[5H-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-yl)-3-prop-2-enylurea",NA,"C=CCNC(=O)NC1=CSC2=NC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)NN12","PHWLYQXNFXOVMZ-UHFFFAOYSA-N",377333,NA,"PDBC09027","658734","Present",NA,NA
+"9028","1-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=CC6=C(C=C5)OCO6","BZKPASBEIZXLFA-UHFFFAOYSA-N",380571,NA,"PDBC09028","666221","Present",NA,NA
+"9029","1-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC6=C(C=C5)OCO6","HUHDVMDXIICRPL-UHFFFAOYSA-N",380582,NA,"PDBC09029","666232","Present",NA,NA
+"9030","1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(8-(2,3-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]...",NA,"CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)OC","ZTDFKWAUUJWEMX-UHFFFAOYSA-N",381364,NA,"PDBC09030","667904","Present",NA,NA
+"9031","1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=C(C(=CC=C5)OC)OC","IGAAMAVEJGCBND-UHFFFAOYSA-N",381369,NA,"PDBC09031","667909","Present",NA,NA
+"9032","1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)OC","GWPIAAOPZQZVTR-UHFFFAOYSA-N",380568,NA,"PDBC09032","666218","Present",NA,NA
+"9033","1-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC=CC=C5OC","GUTQDDXXUDZPIR-UHFFFAOYSA-N",380576,NA,"PDBC09033","666226","Present",NA,NA
+"9034","1-(8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=CC=C5)OC","NRMLCSNFBPYZRW-UHFFFAOYSA-N",380579,NA,"PDBC09034","666229","Present",NA,NA
+"9035","1-(8-(4-Fluorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(8-(4-Fluorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)pyrrolidine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC=C(C=C5)F","WTOYXTZDCYEBQM-UHFFFAOYSA-N",380580,NA,"PDBC09035","666230","Present",NA,NA
+"9036","1-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-2-phenylhydrazine",NA,"CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC=C(C=C5)OC","WFBVRMMXMLCJRR-UHFFFAOYSA-N",381370,NA,"PDBC09036","667910","Present",NA,NA
+"9037","1-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g][1]benzopyran, 7,8-dihydro-8- (4-metho...",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=CC=C(C=C5)OC","OFWNMZRXUNSPIH-UHFFFAOYSA-N",380585,NA,"PDBC09037","666235","Present",NA,NA
+"9038","1-(8-Hydroxy-7-iodo-5-quinolinyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1-(8-hydroxy-7-iodo-5-quinolinyl)-",NA,"CC(=O)C1=CC(=C(C2=C1C=CC=N2)O)I","XHWRWDBCSAYROQ-UHFFFAOYSA-N",296032,NA,"PDBC09038","165810","Present",NA,NA
+"9039","1-(8b-Methyl-1,2-dihydrocyclopenta[b]indol-4-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(8b-Methyl-1,2-dihydrocyclopenta[b]indol-4-yl)ethanone",NA,"CC(=O)N1C2=CCCC2(C3=CC=CC=C31)C","IJHRIBAHRJZPQO-UHFFFAOYSA-N",386070,NA,"PDBC09039","677641","Present",NA,NA
+"9040","1-(9-Acridinyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(9-Acridinyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N4C=C(C(=O)NC4=O)C#N","QQLHXMPAXNMATQ-UHFFFAOYSA-N",368118,NA,"PDBC09040","638460","Present",NA,NA
+"9041","1-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL301018",NA,"CC(=O)N1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31","ALUAZCPDPCHWRG-UHFFFAOYSA-N",394874,NA,"PDBC09041","698965","Present",NA,NA
+"9042","1-(9-Bromophenanthren-3-yl)-2-(didecylamino)ethan-1-one--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(9-Bromophenanthren-3-yl)-2-(didecylamino)ethanone;hydrochloride",NA,"CCCCCCCCCCN(CCCCCCCCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.Cl","GKDGHPMIJAZJRO-UHFFFAOYSA-N",53422189,NA,"PDBC09042","13249","Present",NA,NA
+"9043","1-(9-Bromophenanthren-3-yl)-3-(dihexylamino)propan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(9-Bromophenanthren-3-yl)-3-(dihexylamino)propan-1-one;hydrochloride",NA,"CCCCCCN(CCCCCC)CCC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br.Cl","JEXHYFIUWOOPLM-UHFFFAOYSA-N",54605561,NA,"PDBC09043","44489","Present",NA,NA
+"9044","1-(9-Chlorophenanthren-3-yl)-2-(dibutylamino)ethanone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(9-Chlorophenanthren-3-yl)-2-(dibutylamino)ethanone;hydrochloride",NA,"CCCCN(CCCC)CC(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Cl.Cl","QBJURESDWTXNJW-UHFFFAOYSA-N",24185804,NA,"PDBC09044","43493","Present",NA,NA
+"9045","1-(9-Ethylcarbazol-3-yl)-3-(2-methyl-4-nitrophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(9-Ethylcarbazol-3-yl)-3-(2-methyl-4-nitrophenyl)urea",NA,"CCN1C2=C(C=C(C=C2)NC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C)C4=CC=CC=C41","BRZZHGSWUIVSIU-UHFFFAOYSA-N",330820,NA,"PDBC09045","320218","Present",NA,NA
+"9046","1-(9-Hydroxy-9-(hydroxymethyl)-2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[9-Hydroxy-9-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione",NA,"CC(C)[Si]1(OCC2C(C(C(O2)N3C=CC(=O)NC3=O)(CO)O)O[Si](O1)(C(C)C)C(C)C)C(C)C","AHROWOLVZJDNSE-UHFFFAOYSA-N",387258,NA,"PDBC09046","680839","Present",NA,NA
+"9047","1-(9-Methoxy-11,12-dihydro-6H-indolo[1,2-b][2]benzazepin-13-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(9-Methoxy-11,12-dihydro-6H-indolo[1,2-b][2]benzazepin-13-yl)ethanone",NA,"CC(=O)C1=C2CCC3=C(CN2C4=CC=CC=C41)C=CC(=C3)OC","YPXVIVXDUHGZQF-UHFFFAOYSA-N",365697,NA,"PDBC09047","633551","Present",NA,NA
+"9048","1-(Acetylamino)-2-phenylethylcarbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-acetamido-2-phenyl-ethyl)carbamic acid",NA,"CC(=O)NC(CC1=CC=CC=C1)NC(=O)O","UKMRWGKDVBSECZ-UHFFFAOYSA-N",381467,NA,"PDBC09048","668054","Present",NA,NA
+"9049","1-(Acetyloxy)-2-(2-(1-(acetyloxy)-1H-benzimidazol-2-yl)phenyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Acetyloxy)-2-(2-(1-(acetyloxy)-1H-benzimidazol-2-yl)phenyl)-1H-benzimidazole",NA,"CC(=O)ON1C2=CC=CC=C2N=C1C3=CC=CC=C3C4=NC5=CC=CC=C5N4OC(=O)C","BNCYAPIJYVVECD-UHFFFAOYSA-N",355531,NA,"PDBC09049","609356","Present",NA,NA
+"9050","1-(Acetyloxy)-9-(((aminocarbonyl)oxy)methyl)-7-methoxy-6-methyl-5,8-dioxo-2,3,5,8-tetrahydro-1H-pyrrolo[1,2-a]indol-2-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrolo[1,2-a]indole-5,8-dione, 1,2-bis(acetyloxy)-9-...",NA,"CC1=C(C(=O)C2=C(C1=O)N3CC(C(C3=C2COC(=O)N)OC(=O)C)OC(=O)C)OC","MRHZEXIWSNIANF-UHFFFAOYSA-N",496347,NA,"PDBC09050","686513","Present",NA,NA
+"9051","1-(Adamantane-1-carbonylamino)-3-(4-chlorophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Adamantane-1-carbonylamino)-3-(4-chlorophenyl)thiourea",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)NC4=CC=C(C=C4)Cl","DMVXCEBKPSNZAK-UHFFFAOYSA-N",3004970,NA,"PDBC09051","665948","Present",NA,NA
+"9052","1-(Adamantane-1-carbonylamino)-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL508685",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)NC4=CC=CC=C4","FHEDTWXEHBPTNW-UHFFFAOYSA-N",3004969,NA,"PDBC09052","665947","Present",NA,NA
+"9053","1-(Allyloxymethyl)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-135408",NA,"C=CCOCN1C=CC(=O)NC1=O","QWZTZUYUCDFXJV-UHFFFAOYSA-N",376599,NA,"PDBC09053","657610","Present",NA,NA
+"9054","1-(Anthracen-9-ylmethyl)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Anthracen-9-ylmethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline",NA,"CN1CCC2=CC(=C(C=C2C1CC3=C4C=CC=CC4=CC5=CC=CC=C53)OC)OC","PTMPOMSDCIQQOY-UHFFFAOYSA-N",361532,NA,"PDBC09054","624660","Present",NA,NA
+"9055","1-(Aziridin-1-yl)-N-[4-[[4-[[1-(aziridin-1-yl)-2,2-diphenylethylidene]amino]phenyl]methyl]phenyl]-2,2-diphenylethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Aziridin-1-yl)-N-[4-[[4-[[1-(aziridin-1-yl)-2,2-diphenylethylidene]amino]phenyl]methyl]phenyl]-2,2-diphenylethanimine",NA,"C1CN1C(=NC2=CC=C(C=C2)CC3=CC=C(C=C3)N=C(C(C4=CC=CC=C4)C5=CC=CC=C5)N6CC6)C(C7=CC=CC=C7)C8=CC=CC=C8","ZMQAGNTVNFAVCU-UHFFFAOYSA-N",230621,NA,"PDBC09055","25703","Present",NA,NA
+"9056","1-(Benzenesulfonyl)-1,3-diphenylpropan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzenesulfonyl)-1,3-diphenylpropan-2-one",NA,"C1=CC=C(C=C1)CC(=O)C(C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","WMQZVPBCSRYHLI-UHFFFAOYSA-N",357758,NA,"PDBC09056","617279","Present",NA,NA
+"9057","1-(Benzenesulfonyl)-1-diazo-hexane-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Diazonio-5-oxo-1-(phenylsulfonyl)hex-1-en-2-olate",NA,"CC(=O)CCC(=O)C(=[N+]=[N-])S(=O)(=O)C1=CC=CC=C1","BFWDPFYZRGQETC-UHFFFAOYSA-N",373297,NA,"PDBC09057","649448","Present",NA,NA
+"9058","1-(Benzenesulfonyl)-2-[1-(benzenesulfonyl)-3-methylindol-2-yl]-3-methylindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzenesulfonyl)-2-[1-(benzenesulfonyl)-3-methylindol-2-yl]-3-methylindole",NA,"CC1=C(N(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)C4=C(C5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)C","SVIILRQJTFIQNY-UHFFFAOYSA-N",396901,NA,"PDBC09058","704080","Present",NA,NA
+"9059","1-(Benzenesulfonyl)-3-[2-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzenesulfonyl)-3-[2-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-",NA,"CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C5COC(O5)(C)C)OC(O4)(C)C)NC(=O)NS(=O)(=O)C6=CC=CC=C6)OC(O2)(C)C","KUYKQUHOYFQUND-UHFFFAOYSA-N",45028441,NA,"PDBC09059","742855","Present",NA,NA
+"9060","1-(Benzenesulfonyl)-3-[3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzenesulfonyl)-3-[3-(4-methylpiperazine-1-carbonyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]urea",NA,"CN1CCN(CC1)C(=O)C2=C(SC3=C2CCCCC3)NC(=O)NS(=O)(=O)C4=CC=CC=C4","XNVPJUQFDGTNMU-UHFFFAOYSA-N",24204390,NA,"PDBC09060","731661","Present",NA,NA
+"9061","1-(Benzenesulfonyl)-3-methyl-5-nitro-7-phenylmethoxyindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzenesulfonyl)-7-benzyloxy-3-methyl-5-nitro-indole",NA,"CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)[N+](=O)[O-])S(=O)(=O)C4=CC=CC=C4","GHUZHMBTWSSKMB-UHFFFAOYSA-N",396968,NA,"PDBC09061","704205","Present",NA,NA
+"9062","1-(Benzenesulfonyl)-5-oxopyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxo-1-(phenylsulfonyl)proline",NA,"C1CC(=O)N(C1C(=O)O)S(=O)(=O)C2=CC=CC=C2","ZVZRSYRJNCFXSL-UHFFFAOYSA-N",361468,NA,"PDBC09062","624495","Present",NA,NA
+"9063","1-(Benzenesulfonyl)piperidine-4,4-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-43180",NA,"C1CN(CCC1(C(=O)O)C(=O)O)S(=O)(=O)C2=CC=CC=C2","IJLRCNPDSMJGPV-UHFFFAOYSA-N",257095,NA,"PDBC09063","85010","Present",NA,NA
+"9064","1-(Benzimidazol-1-yl)-2-phenothiazin-10-ylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-Benzimidazol-1-yl)-2-(10H-phenothiazin-10-yl)ethanone",NA,"C1=CC=C2C(=C1)N=CN2C(=O)CN3C4=CC=CC=C4SC5=CC=CC=C53","NOZDGQUDSJMKAI-UHFFFAOYSA-N",377186,NA,"PDBC09064","658413","Present",NA,NA
+"9065","1-(Benzimidazol-1-ylsulfonyl)-3-(1,3,4-thiadiazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzimidazol-1-ylsulfonyl)-3-(1,3,4-thiadiazol-2-yl)urea",NA,"C1=CC=C2C(=C1)N=CN2S(=O)(=O)NC(=O)NC3=NN=CS3","LQQMRQUIJFMCNP-UHFFFAOYSA-N",397677,NA,"PDBC09065","706039","Present",NA,NA
+"9066","1-(Benzimidazol-1-ylsulfonyl)-3-(4-methyl-1,3-benzothiazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzimidazol-1-ylsulfonyl)-3-(4-methyl-1,3-benzothiazol-2-yl)urea",NA,"CC1=C2C(=CC=C1)SC(=N2)NC(=O)NS(=O)(=O)N3C=NC4=CC=CC=C43","DIORWCKGVSTKSA-UHFFFAOYSA-N",397676,NA,"PDBC09066","706038","Present",NA,NA
+"9067","1-(Benzo[a]anthracen-7-ylmethyl)pyridin-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC32149",NA,"C1=CC=[N+](C=C1)CC2=C3C=CC4=CC=CC=C4C3=CC5=CC=CC=C52.[Cl-]","GLEYNLQDJNJMDW-UHFFFAOYSA-M",24183955,NA,"PDBC09067","32149","Present",NA,NA
+"9068","1-(Benzo[d]thiazol-2-yl)-3-methylindeno[1,2-c]pyrazol-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzothiazol-2-yl)-3-methylindeno[1,2-c]pyrazol-4(1H)-one",NA,"CC1=NN(C2=C1C(=O)C3=CC=CC=C32)C4=NC5=CC=CC=C5S4","CKNNDPWDZPVTLL-UHFFFAOYSA-N",364985,NA,"PDBC09068","631886","Present",NA,NA
+"9069","1-(Benzothien-3'-yl)-3,4-dihydronaphthalene-2-acrylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzothien-3'-yl)-3,4-dihydronaphthalene-2-acrylic ac...",NA,"CCOC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CSC4=CC=CC=C43","QLKWKJREQWEGIG-BUHFOSPRSA-N",24205538,NA,"PDBC09069","736122","Present",NA,NA
+"9070","1-(Benzoylamino)-2-phenylcyclopropanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzoylamino)-2-phenylcyclopropanecarboxylic acid",NA,"C1C(C1(C(=O)O)NC(=O)C2=CC=CC=C2)C3=CC=CC=C3","HQCMVKMWULKIRR-UHFFFAOYSA-N",343111,NA,"PDBC09070","382098","Present",NA,NA
+"9071","1-(Benzoylamino)cyclopentanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzoylamino)cyclopentanecarboxylic acid",NA,"C1CCC(C1)(C(=O)O)NC(=O)C2=CC=CC=C2","DQPDOERYCCIMKH-UHFFFAOYSA-N",229300,NA,"PDBC09071","22854","Present",NA,NA
+"9072","1-(Benzyloxy)-2-(1-chlorovinyl)-3-methoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzyloxy)-2-(1-chlorovinyl)-3-methoxybenzene",NA,"COC1=C(C(=CC=C1)OCC2=CC=CC=C2)C(=C)Cl","LMPODJLSRFVFIG-UHFFFAOYSA-N",386349,NA,"PDBC09072","678141","Present",NA,NA
+"9073","1-(Benzyloxy)-3-(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-2-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzyloxy)-3-(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-2-butanone",NA,"CC(C(=O)COCC1=CC=CC=C1)P2(=O)N(CC(O2)(C)C)C(C)(C)C","YYOPTHXSDWHHKU-UHFFFAOYSA-N",395349,NA,"PDBC09073","699831","Present",NA,NA
+"9074","1-(Benzyloxy)-3-(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-7,11-dimethyl-6,10-dodecadien-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6E)-3-(3-Tert-butyl-5,5-dimethyl-2-oxo-1,3,2lambda5-oxazaphospholidin-2-yl)-7,11-dimethyl-1-phenylmethoxydodeca-6,10-dien-2-one",NA,"CC(=CCCC(=CCCC(C(=O)COCC1=CC=CC=C1)P2(=O)N(CC(O2)(C)C)C(C)(C)C)C)C","RJFCDHIQJCINTJ-LFVJCYFKSA-N",5470346,NA,"PDBC09074","699832","Present",NA,NA
+"9075","1-(Benzyloxy)-4-chloro-2-nitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS010104",NA,"C1=CC=C(C=C1)COC2=C(C=C(C=C2)Cl)[N+](=O)[O-]","NMMNCUOEMZBSLG-UHFFFAOYSA-N",361282,NA,"PDBC09075","624225","Present",NA,NA
+"9076","1-(Benzyloxymethyl)-5-(2-methylphenylamino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzyloxymethyl)-5-(2-methylphenylamino)uracil",NA,"CC1=CC=CC=C1NC2=CN(C(=O)NC2=O)COCC3=CC=CC=C3","HHGQTVYUGUXXBU-UHFFFAOYSA-N",395050,NA,"PDBC09076","699238","Present",NA,NA
+"9077","1-(Benzyloxymethyl)-5-(3-methylphenylamino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzyloxymethyl)-5-(3-methylphenylamino)uracil",NA,"CC1=CC(=CC=C1)NC2=CN(C(=O)NC2=O)COCC3=CC=CC=C3","GVFONDBVSRLRTK-UHFFFAOYSA-N",395051,NA,"PDBC09077","699239","Present",NA,NA
+"9078","1-(Benzyloxymethyl)-5-(4-bromophenylamino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzyloxymethyl)-5-(4-bromophenylamino)uracil",NA,"C1=CC=C(C=C1)COCN2C=C(C(=O)NC2=O)NC3=CC=C(C=C3)Br","IIYUEPBHFDWZFO-UHFFFAOYSA-N",395053,NA,"PDBC09078","699241","Present",NA,NA
+"9079","1-(Benzyloxymethyl)-5-(4-methylphenylamino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzyloxymethyl)-5-(4-methylphenylamino)uracil",NA,"CC1=CC=C(C=C1)NC2=CN(C(=O)NC2=O)COCC3=CC=CC=C3","BHGBOSLEKPEYDK-UHFFFAOYSA-N",395052,NA,"PDBC09079","699240","Present",NA,NA
+"9080","1-(Benzyloxymethyl)-6-bromo-quinazoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyloxymethyl-6-bromo-2,4(1H,3H)-quinazolinedione",NA,"C1=CC=C(C=C1)COCN2C3=C(C=C(C=C3)Br)C(=O)NC2=O","ACVLDSCHLOSGAO-UHFFFAOYSA-N",390544,NA,"PDBC09080","688032","Present",NA,NA
+"9081","1-(Benzyloxymethyl)-6-nitro-quinazoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyloxymethyl-6-nitro-2,4(1H,3H)-quinazolinedione",NA,"C1=CC=C(C=C1)COCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)NC2=O","RXRSHLAXLKYLQE-UHFFFAOYSA-N",390547,NA,"PDBC09081","688035","Present",NA,NA
+"9082","1-(Benzyloxymethyl)thieno[3,2-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzyloxymethyl)-thieno[3,2-d]pyrimidine-2,4-dione",NA,"C1=CC=C(C=C1)COCN2C3=C(C(=O)NC2=O)SC=C3","UKTMNXQKYCHWKD-UHFFFAOYSA-N",387008,NA,"PDBC09082","680324","Present",NA,NA
+"9083","1-(Bis(4-methoxyphenyl)methyl)-5-oxo-pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(bis(4-methoxyphenyl)methyl)-5-oxo-pyrrolidine-2-carbo...",NA,"COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3C(CCC3=O)C(=O)O","GHKSNPQGDVIVNH-UHFFFAOYSA-N",384213,NA,"PDBC09083","673618","Present",NA,NA
+"9084","1-(Bis(acetyloxy)amino)-4-methylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Bis(acetyloxy)amino)-4-methylbenzene",NA,"CC1=CC=C(C=C1)N(OC(=O)C)OC(=O)C","RXNWDQGBYNEWHQ-UHFFFAOYSA-N",392912,NA,"PDBC09084","694095","Present",NA,NA
+"9085","1-(Bis(benzylthio)methyl)-2-chlorobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Bis(benzylthio)methyl)-2-chlorobenzene",NA,"C1=CC=C(C=C1)CSC(C2=CC=CC=C2Cl)SCC3=CC=CC=C3","ZGCRQUHDTJZIOR-UHFFFAOYSA-N",377591,NA,"PDBC09085","659158","Present",NA,NA
+"9086","1-(Bis(benzylthio)methyl)-4-chlorobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Bis(benzylthio)methyl)-4-chlorobenzene",NA,"C1=CC=C(C=C1)CSC(C2=CC=C(C=C2)Cl)SCC3=CC=CC=C3","PBLDEPWBRALBPE-UHFFFAOYSA-N",377594,NA,"PDBC09086","659165","Present",NA,NA
+"9087","1-(Bis(benzylthio)methyl)naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Bis(benzylthio)methyl)naphthalene",NA,"C1=CC=C(C=C1)CSC(C2=CC=CC3=CC=CC=C32)SCC4=CC=CC=C4","DLMKPGODGSFRPE-UHFFFAOYSA-N",379226,NA,"PDBC09087","663640","Present",NA,NA
+"9088","1-(Bis(phenylthio)methyl)cycloheptanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Bis(phenylthio)methyl)cycloheptanol",NA,"C1CCCC(CC1)(C(SC2=CC=CC=C2)SC3=CC=CC=C3)O","PTKNMXCKRDXEJF-UHFFFAOYSA-N",361771,NA,"PDBC09088","625037","Present",NA,NA
+"9089","1-(Bromo(1-naphthyl)methyl)naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.656.556J",NA,"C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=CC=CC=C43)Br","JTXUIHPHBAGZMF-UHFFFAOYSA-N",231626,NA,"PDBC09089","28081","Present",NA,NA
+"9090","1-(Bromo(carboxy)methyl)-4-methylcyclohexanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Bromo(carboxy)methyl]-4-methylcyclohexanecarboxylic acid",NA,"CC1CCC(CC1)(C(C(=O)O)Br)C(=O)O","BDAGAQZEGHYUJP-UHFFFAOYSA-N",232059,NA,"PDBC09090","29096","Present",NA,NA
+"9091","1-(Butoxymethyl)quinazoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyloxymethyl-2,4(1H,3H)-quinazolinedione",NA,"CCCCOCN1C2=CC=CC=C2C(=O)NC1=O","KZSYLFYTNYXBCE-UHFFFAOYSA-N",390545,NA,"PDBC09091","688033","Present",NA,NA
+"9092","1-(Carbamoylamino)propan-2-ylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Carbamoylamino)propan-2-ylurea",NA,"CC(CNC(=O)N)NC(=O)N","JTZUXKIKHMIVSD-UHFFFAOYSA-N",223901,NA,"PDBC09092","11994","Present",NA,NA
+"9093","1-(Chloroacetyl)-4-pyridin-2-ylpiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK878618",NA,"C1CN(CCN1C2=CC=CC=N2)C(=O)CCl","UMKZSIOUSYFQDQ-UHFFFAOYSA-N",357000,NA,"PDBC09093","614569","Present",NA,NA
+"9094","1-(Chloromethyl)-2,5-dimethoxy-4-phenylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Chloromethyl)-2,5-dimethoxy-4-phenylbenzene",NA,"COC1=CC(=C(C=C1CCl)OC)C2=CC=CC=C2","RVXLAYZHEAUBJW-UHFFFAOYSA-N",358345,NA,"PDBC09094","618310","Present",NA,NA
+"9095","1-(Cyclohexylamino)-8-methyl-4-phenyl-2,4,8-triazaspiro[4.5]dec-1-ene-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Cyclohexylamino)-8-methyl-4-phenyl-2,4,8-triazaspiro[4.5]dec-1-ene-3-thione",NA,"CN1CCC2(CC1)C(=NC3CCCCC3)NC(=S)N2C4=CC=CC=C4","JUMCMUOPECOMGQ-UHFFFAOYSA-N",135409197,NA,"PDBC09095","665295","Present",NA,NA
+"9096","1-(Di[1,1'-biphenyl]-4-yl(hydroxy)methyl)cyclohexanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Di[1,1'-biphenyl]-4-yl(hydroxy)methyl)cyclohexanol",NA,"C1CCC(CC1)(C(C2=CC=C(C=C2)C3=CC=CC=C3)(C4=CC=C(C=C4)C5=CC=CC=C5)O)O","GEWKQHWFVIONJR-UHFFFAOYSA-N",336494,NA,"PDBC09096","351123","Present",NA,NA
+"9097","1-(Diaminomethylidene)-2-(4-sulfamoylphenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(N'-Carbamimidoylcarbamimidamido)benzenesulfonamide",NA,"C1=CC(=CC=C1N=C(N)N=C(N)N)S(=O)(=O)N","BRYMGHBYJDJPIS-UHFFFAOYSA-N",276767,NA,"PDBC09097","125201","Present",NA,NA
+"9098","1-(Diaminomethylidene)-2-(6-methoxyquinolin-8-yl)guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Diaminomethylidene)-2-(6-methoxyquinolin-8-yl)guanidine;hydrochloride",NA,"COC1=CC(=C2C(=C1)C=CC=N2)N=C(N)N=C(N)N.Cl","WYKCYKWPVRSRBH-UHFFFAOYSA-N",5351613,NA,"PDBC09098","3589","Present",NA,NA
+"9099","1-(Diaminomethylidene)-2-(furan-2-ylmethyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756972",NA,"C1=COC(=C1)CN=C(N)N=C(N)N","WXIHLCZQQGEOKH-UHFFFAOYSA-N",21230,NA,"PDBC09099","756972","Present",NA,NA
+"9100","1-(Diaminomethylidene)-2-phenanthren-9-ylguanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC35635",NA,"C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)N=C(N)N=C(N)N.Cl","HAEJSTYASZPEMI-UHFFFAOYSA-N",54605358,NA,"PDBC09100","35635","Present",NA,NA
+"9101","1-(Diaminomethylidene)-2-pyrazin-2-ylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Diaminomethylidene)-2-pyrazin-2-ylguanidine",NA,"C1=CN=C(C=N1)N=C(N)N=C(N)N","XTMOGLAHOFMQNM-UHFFFAOYSA-N",276760,NA,"PDBC09101","125190","Present",NA,NA
+"9102","1-(Dibenzylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Dibenzylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethylamine",NA,"C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)N","HUTZJVGZWFKIQQ-UHFFFAOYSA-N",382499,NA,"PDBC09102","670105","Present",NA,NA
+"9103","1-(Dibutoxyphosphoryl)proline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Dibutoxyphosphoryl)proline",NA,"CCCCOP(=O)(N1CCCC1C(=O)O)OCCCC","AZOUZRQKKVKOFZ-UHFFFAOYSA-N",365766,NA,"PDBC09103","633809","Present",NA,NA
+"9104","1-(Diethoxyphosphorylmethyl)-1,4,7-triazonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1,4,7-triazonan-1-ylmethylphosphonate",NA,"CCOP(=O)(CN1CCNCCNCC1)OCC","YHTMPZVZQOGMPB-UHFFFAOYSA-N",393904,NA,"PDBC09104","696865","Present",NA,NA
+"9105","1-(Diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9-YL)amino]propan-2-OL monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t c666 bnj eo1 fo1 im1yq1n2&2 mnw &gh 2",NA,"CCN(CC)CC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O.Cl","YDEWUVKTIHHCKK-UHFFFAOYSA-N",3020289,NA,"PDBC09105","13003","Present",NA,NA
+"9106","1-(Dimethylamino)-2-(dimethylsulfamoylamino)ethane;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC172821",NA,"CN(C)CCNS(=O)(=O)N(C)C.Cl","RIDWLZHBFAPWFL-UHFFFAOYSA-N",24194765,NA,"PDBC09106","172821","Present",NA,NA
+"9107","1-(Dimethylamino)-4-methyl-4H-pyrido[3,4-g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[3,4-g]quinoline-5,10-dione, 1,4-dihydro- 1-(dimet...",NA,"CC1C=CN(C2=C1C(=O)C3=C(C2=O)C=CN=C3)N(C)C","PCSMOWAHBVADCZ-UHFFFAOYSA-N",388892,NA,"PDBC09107","684118","Present",NA,NA
+"9108","1-(Dimethylamino)-4-methyl-6-oxopiperidine-2,2,3,3-tetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidine-2,2,3,3-tetracarbonitrile, 1-(dimethylamino)-...",NA,"CC1CC(=O)N(C(C1(C#N)C#N)(C#N)C#N)N(C)C","YCKSWHYIGGXBDZ-UHFFFAOYSA-N",387777,NA,"PDBC09108","681850","Present",NA,NA
+"9109","1-(Dimethylamino)-5-imino-4-methyl-2,7-dioxotetrahydro-1H-pyrrolo[3,4-b]pyridine-4a,7a(2H,5H)-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Dimethylamino)-5-imino-4-methyl-2,7-dioxo-3,4-dihydropyrrolo[3,4-b]pyridine-4a,7a-dicarbonitrile",NA,"CC1CC(=O)N(C2(C1(C(=NC2=O)N)C#N)C#N)N(C)C","ZFPODCJDWBJMNQ-UHFFFAOYSA-N",387782,NA,"PDBC09109","681855","Present",NA,NA
+"9110","1-(Dimethylamino)-5-imino-7,7-dimethoxy-4-methyl-2-oxotetrahydro-1H-pyrrolo[3,4-b]pyridine-4a,7a(2H,5H)-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(dimethylamino)-7,7-dimethoxy-4-methyl-2-oxo-3,4-dihydropyrrolo[3,4-b]pyridine-4a,7a-dicarbonitrile",NA,"CC1CC(=O)N(C2(C1(C(=NC2(OC)OC)N)C#N)C#N)N(C)C","VAHNAIQULDUFHA-UHFFFAOYSA-N",387778,NA,"PDBC09110","681851","Present",NA,NA
+"9111","1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethylamine",NA,"C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)N","KHIQYIPKDNBPCT-UHFFFAOYSA-N",382498,NA,"PDBC09111","670104","Present",NA,NA
+"9112","1-(Ethoxycarbonylmethyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Ethoxycarbonylmethyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline",NA,"CCOC(=O)CC1=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4","RTGLKNHGGAQFGQ-UHFFFAOYSA-N",399106,NA,"PDBC09112","709522","Present",NA,NA
+"9113","1-(Ethylthio)-3-((2-(ethylthio)ethyl)thio)propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Ethylthio)-3-((2-(ethylthio)ethyl)thio)propane",NA,"CCSCCCSCCSCC","ACAPRVBOGFLZJR-UHFFFAOYSA-N",373742,NA,"PDBC09113","650641","Present",NA,NA
+"9114","1-(Fluoromethyl)-1-methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Fluoromethyl)-1-methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"CC1(N2C(=NC3=CC=CC=C32)CS1)CF","FTUMZDSGDPCRTF-UHFFFAOYSA-N",383937,NA,"PDBC09114","672902","Present",NA,NA
+"9115","1-(Furan-2-yl)-3-(3-methyl-3-azoniabicyclo[3.2.2]nonan-3-yl)propan-1-one;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Furan-2-yl)-3-(3-methyl-3-azoniabicyclo[3.2.2]nonan-3-yl)propan-1-one;iodide",NA,"C[N+]1(CC2CCC(C1)CC2)CCC(=O)C3=CC=CO3.[I-]","RFHZUZINDBVKER-UHFFFAOYSA-M",5351923,NA,"PDBC09115","95490","Present",NA,NA
+"9116","1-(Furan-2-ylmethyl)-3-[4-[4-(furan-2-ylmethylcarbamoylamino)-2-methoxyphenyl]-3-methoxyphenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Furan-2-ylmethyl)-3-[4-[4-(furan-2-ylmethylcarbamoylamino)-2-methoxyphenyl]-3-methoxyphenyl]urea",NA,"COC1=C(C=CC(=C1)NC(=O)NCC2=CC=CO2)C3=C(C=C(C=C3)NC(=O)NCC4=CC=CO4)OC","GIFPLDMVYOENAC-UHFFFAOYSA-N",240061,NA,"PDBC09116","45940","Present",NA,NA
+"9117","1-(Hydroxy(oxido)amino)-7-methoxy-9-((3-(methylamino)propyl)amino)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Hydroxy(oxido)amino)-7-methoxy-9-((3-(methylamino)propyl)amino)acridine",NA,"CNCCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","JXRWAHJYIDKLGB-UHFFFAOYSA-N",384254,NA,"PDBC09117","673800","Present",NA,NA
+"9118","1-(Hydroxy(oxido)amino)-9-((3-(4-morpholinyl)propyl)amino)acridine methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Hydroxy(oxido)amino)-9-((3-(4-morpholinyl)propyl)amino)acridine methanesulfonate",NA,"CS(=O)(=O)O.C1COCCN1CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-]","GUDAGJUXXXVEIS-UHFFFAOYSA-N",380952,NA,"PDBC09118","666736","Present",NA,NA
+"9119","1-(Hydroxyamino)-4-(4-methylanilino)-1H-naphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Hydroxyamino)-4-(4-methylanilino)-1H-naphthalen-2-one",NA,"CC1=CC=C(C=C1)NC2=CC(=O)C(C3=CC=CC=C32)NO","HYSNDMOITNEWGL-UHFFFAOYSA-N",376651,NA,"PDBC09119","657681","Present",NA,NA
+"9120","1-(Iminophenylmethyl)piperidine monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624722",NA,"C1CCN(CC1)C(=N)C2=CC=CC=C2.Cl","IDHNQSOFRVMOKG-UHFFFAOYSA-N",361542,NA,"PDBC09120","624722","Present",NA,NA
+"9121","1-(Iodomethyl)-1-phenylphospholan-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC616271",NA,"C1CC[P+](C1)(CI)C2=CC=CC=C2.[I-]","LKRRSGCWQGJQIW-UHFFFAOYSA-M",357446,NA,"PDBC09121","616271","Present",NA,NA
+"9122","1-(Iodomethyl)-4-nitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1-(iodomethyl)-4-nitro- (9CI)",NA,"C1=CC(=CC=C1CI)[N+](=O)[O-]","INKNHBKFSPIMKS-UHFFFAOYSA-N",76598,NA,"PDBC09122","401699","Present",NA,NA
+"9123","1-(Isopropoxy(2-oxo-4-phenyl-7,8-dihydro-2H,6H-1,5-dithiocin-3-yl)methylene)-3-phenyl-2-propenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1Z,3E)-1-[(7Z)-6-Oxo-8-phenyl-3,4-dihydro-2H-1,5-dithiocin-7-yl]-4-phenyl-1-propan-2-yloxybuta-1,3-dien-2-yl] acetate",NA,"CC(C)OC(=C(C=CC1=CC=CC=C1)OC(=O)C)C2=C(SCCCSC2=O)C3=CC=CC=C3","UWMJYRJZPFKNII-ODCXACCNSA-N",5469263,NA,"PDBC09123","685037","Present",NA,NA
+"9124","1-(Isopropylthio)-5,6,7,8-tetrahydro-3-isoquinolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Isopropylsulfanyl-5,6,7,8-tetrahydroisoquinoline-3-carbonitrile",NA,"CC(C)SC1=C2CCCCC2=CC(=N1)C#N","BKSDQGVGMMDXRJ-UHFFFAOYSA-N",396185,NA,"PDBC09124","701733","Present",NA,NA
+"9125","1-(Methoxymethyl)-1,3-dimethylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Methoxymethyl)-N,N'-dimethylurea",NA,"CNC(=O)N(C)COC","XUIVJNRXWOVWNB-UHFFFAOYSA-N",370394,NA,"PDBC09125","643489","Present",NA,NA
+"9126","1-(Methylamino)cyclopropane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-30602",NA,"CNC1(CC1)C(=O)O","ZCLBLSZZIRMCLZ-UHFFFAOYSA-N",386197,NA,"PDBC09126","677915","Present",NA,NA
+"9127","1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-5,6,7,8-tetrahydroisoquinoline-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylsulfonyl-3-(1-methylsulfonyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine",NA,"CS(=O)(=O)C1=C2CCCCCC2=CC(=N1)C3=NC(=C4CCCCC4=C3)S(=O)(=O)C","UGDJADAZOSKABS-UHFFFAOYSA-N",397517,NA,"PDBC09127","705815","Present",NA,NA
+"9128","1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-6,7-dihydro-5H-2-pyrindine-3-yl]-5,6,7,8-tetrahydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-5,6,7,8-tetrahydroisoquinoline",NA,"CS(=O)(=O)C1=C2CCCCC2=CC(=N1)C3=NC(=C4CCCC4=C3)S(=O)(=O)C","NEOZMSIJMYBJTJ-UHFFFAOYSA-N",397516,NA,"PDBC09128","705814","Present",NA,NA
+"9129","1-(Methylsulfonyl)-3-[1-(methylsulfonyl)-6,7-dihydro-5H-2-pyrindine-3-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylsulfonyl-3-(1-methylsulfonyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridine",NA,"CS(=O)(=O)C1=C2CCCCCC2=CC(=N1)C3=NC(=C4CCCC4=C3)S(=O)(=O)C","AJTSQQMDVGVWAK-UHFFFAOYSA-N",397521,NA,"PDBC09129","705819","Present",NA,NA
+"9130","1-(Methylsulfonylmethyldisulfanyl)ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BEMDGXSOILVUJR-UHFFFAOYSA-N",NA,"CCSSCS(=O)(=O)C","BEMDGXSOILVUJR-UHFFFAOYSA-N",401305,NA,"PDBC09130","714611","Present",NA,NA
+"9131","1-(Methylthio)-3-[3-(methylthio)-1,2,4-triazine-5-yl]-5,6,7,8-tetrahydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Methylthio)-3-[3-(methylthio)-1,2,4-triazine-5-yl]-5,6,7,8-tetrahydroisoquinoline",NA,"CSC1=C2CCCCC2=CC(=N1)C3=CN=NC(=N3)SC","HYBANKKOBPMHOA-UHFFFAOYSA-N",397513,NA,"PDBC09131","705811","Present",NA,NA
+"9132","1-(Methylthio)-3-[3-(methylthio)-1,2,4-triazine-5-yl]-6,7-dihydro-5H-2-pyrindine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylsulfanyl-3-(3-methylsulfanyl-1,2,4-triazin-5-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine",NA,"CSC1=C2CCCC2=CC(=N1)C3=CN=NC(=N3)SC","DTZBOGHULNJXNW-UHFFFAOYSA-N",397518,NA,"PDBC09132","705816","Present",NA,NA
+"9133","1-(Methylthio)-4,5-dihydro[1,2,4]triazolo[3,4-d][1,5]benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Methylthio)-4,5-dihydro[1,2,4]triazolo[3,4-d][1,5]benzothiazepine",NA,"CSC1=NN=C2N1C3=CC=CC=C3SCC2","KINGPNKWXBFFNY-UHFFFAOYSA-N",375440,NA,"PDBC09133","655163","Present",NA,NA
+"9134","1-(N,N-dimethylcarbamimidoyl)-3-methyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(N,N-dimethylcarbamimidoyl)-3-methyl-thiourea",NA,"CNC(=S)N=C(N)N(C)C","OVBLWVMYMOBEEU-UHFFFAOYSA-N",9569884,NA,"PDBC09134","622694","Present",NA,NA
+"9135","1-(N-(4-Methyl-3-nitrophenyl)carbamoyl)piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(N-(4-Methyl-3-nitrophenyl)carbamoyl)piperidine",NA,"CC1=C(C=C(C=C1)NC(=O)N2CCCCC2)[N+](=O)[O-]","LHYSWUILCXGFSG-UHFFFAOYSA-N",332784,NA,"PDBC09135","331972","Present",NA,NA
+"9136","1-(Naphthalen-2-yl)-2-(6-nitrobenzo[d]thiazol-2-ylthio)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Naphthalen-2-yl)-2-(6-nitrobenzo[d]thiazol-2-ylthio)e...",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CSC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]","JQKWSZUEWWONDL-UHFFFAOYSA-N",220852,NA,"PDBC09136","4292","Present",NA,NA
+"9137","1-(Naphthalen-2-yl)-9,10-dihydroanthracene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(naphthalen-2-yl)-9,10-dioxo-9,10-dihydroanthracene-2-...",NA,"C1=CC=C2C=C(C=CC2=C1)C3=C(C=CC4=C3C(=O)C5=CC=CC=C5C4=O)C(=O)O","IPGCPQVGKGPJDW-UHFFFAOYSA-N",222760,NA,"PDBC09137","9608","Present",NA,NA
+"9138","1-(Naphthalen-2-ylmethyl)-3-[10-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]decyl]imidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(decane-1,10-diyl)bis(3-(naphthalen-2-ylmethyl)imid...",NA,"C1=CC=C2C=C(C=CC2=C1)C[N+]3=CN(C=C3)CCCCCCCCCCN4C=C[N+](=C4)CC5=CC6=CC=CC=C6C=C5","INMUNZAGBHPXNQ-UHFFFAOYSA-N",155805911,NA,"PDBC09138","788907","Present",NA,NA
+"9139","1-(Naphthalen-2-ylmethyl)-3-[12-[3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]dodecyl]imidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(dodecane-1,12-diyl)bis(3-(naphthalen-2-ylmethyl)im...",NA,"C1=CC=C2C=C(C=CC2=C1)C[N+]3=CN(C=C3)CCCCCCCCCCCCN4C=C[N+](=C4)CC5=CC6=CC=CC=C6C=C5","QVMPADBJEJCVPR-UHFFFAOYSA-N",155814813,NA,"PDBC09139","789766","Present",NA,NA
+"9140","1-(Naphthalen-2-ylmethyl)-4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]piperidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Naphthylmethyl)-4-[1-(2-naphthylmethyl)-4-piperidyl]piperidine hydrochloride",NA,"C1CN(CCC1C2CCN(CC2)CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5.Cl","IJMDEGDLJQDMGI-UHFFFAOYSA-N",393913,NA,"PDBC09140","696885","Present",NA,NA
+"9141","1-(Nitromethyl)-3H-isoquinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Nitromethyl)-3H-isoquinolin-4-one",NA,"C1C(=O)C2=CC=CC=C2C(=N1)C[N+](=O)[O-]","SCNJPAZUCVRFKQ-UHFFFAOYSA-N",360010,NA,"PDBC09141","621746","Present",NA,NA
+"9142","1-(Oxan-2-yl)-1H-1,2,3-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Oxan-2-yl)-1H-1,2,3-benzotriazole",NA,"C1CCOC(C1)N2C3=CC=CC=C3N=N2","LEMXRUFANZFVFB-UHFFFAOYSA-N",388091,NA,"PDBC09142","682554","Present",NA,NA
+"9143","1-(Oxan-2-yl)benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QTXPGEFPJIMPQF-UHFFFAOYSA-N",NA,"C1CCOC(C1)N2C=NC3=CC=CC=C32","QTXPGEFPJIMPQF-UHFFFAOYSA-N",388066,NA,"PDBC09143","682531","Present",NA,NA
+"9144","1-(Phenanthren-9-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC102728",NA,"C1CC(N(C1)CC2=CC3=CC=CC=C3C4=CC=CC=C42)C(=O)O.Cl","FOBQZRRHQBDJAW-UHFFFAOYSA-N",24190198,NA,"PDBC09144","102728","Present",NA,NA
+"9145","1-(Phenylethynyl)-1,2-benziodazole-3-(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Phenylethynyl)-1,2-benziodazole-3-(1H)-one",NA,"C1=CC=C(C=C1)C#CI2C3=CC=CC=C3C(=O)N2","XORMJEPECJJBKU-UHFFFAOYSA-N",403789,NA,"PDBC09145","719279","Present",NA,NA
+"9146","1-(Phenylethynyl)-1,2-benziodoxol-3(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Phenylethynyl)-1,2-benziodoxol-3(1H)-one",NA,"C1=CC=C(C=C1)C#CI2C3=CC=CC=C3C(=O)O2","XOIXSZAJFLMMOS-UHFFFAOYSA-N",392251,NA,"PDBC09146","692392","Present",NA,NA
+"9147","1-(Phenylmethoxymethyl)quinazoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyloxymethyl-2,4(1H,3H)-quinazolinedione",NA,"C1=CC=C(C=C1)COCN2C3=CC=CC=C3C(=O)NC2=O","PEAUTODDMISCBS-UHFFFAOYSA-N",390543,NA,"PDBC09147","688031","Present",NA,NA
+"9148","1-(Phenylsulfonyl)-1h-indole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-80389",NA,"C1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C=O","ZLARITBCJILRBL-UHFFFAOYSA-N",363334,NA,"PDBC09148","628191","Present",NA,NA
+"9149","1-(Phenylthio)pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TC-069995",NA,"C1CC(=O)N(C1=O)SC2=CC=CC=C2","SCAKFUJVCFIFOX-UHFFFAOYSA-N",361774,NA,"PDBC09149","625040","Present",NA,NA
+"9150","1-(Piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-2-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Benzimidazol-2-one, 1,3-dihydro-1-(4-piperidinyl)-, h...",NA,"C1CNCCC1N2C3=CC=CC=C3NC2=O.Cl","PQQACCWSEYIFQR-UHFFFAOYSA-N",16269770,NA,"PDBC09150","63607","Present",NA,NA
+"9151","1-(Piperidinomethyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Piperidinomethyl)-4-phenyl[1,2,4]triazolo[4,3-a]quinoxaline",NA,"C1CCN(CC1)CC2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5","HGOZUXATDGBIDU-UHFFFAOYSA-N",400926,NA,"PDBC09151","713610","Present",NA,NA
+"9152","1-(Pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid",NA,"C1CC(N(C1)C(=O)C2=CC=CC=N2)C(=O)O","UXKBRXACOQTFGA-UHFFFAOYSA-N",386439,NA,"PDBC09152","678407","Present",NA,NA
+"9153","1-(Tert-Butylamino)-3-(3-methyl-1,4-dihydronaphthalen-2-ylselanyl)-1-oxopropan-2-yl 2-(tert-butoxycarbonylamino)-3-hydroxypropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(tert-Butylamino)-3-(3-methyl-1,4-dioxo-1,4-dihydronap...",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NC(C)(C)C)OC(=O)C(CO)NC(=O)OC(C)(C)C","MFJNUNUJMFUVRP-QNSVNVJESA-N",54613302,NA,"PDBC09153","750911","Present",NA,NA
+"9154","1-(Tert-Butyldimethylsiloxy)-5-(methoxymethoxy)pentane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Tert-Butyldimethylsiloxy)-5-(methoxymethoxy)pentane",NA,"CC(C)(C)[Si](C)(C)OCCCCCOCOC","TUWODTBCUFLFAY-UHFFFAOYSA-N",357782,NA,"PDBC09154","617306","Present",NA,NA
+"9155","1-(Thien-3'-yl)-2-acetylethenyl-3,4-dihydronaphthaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Thien-3'-yl)-2-acetylethenyl-3,4-dihydronaphthaline",NA,"CC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CSC=C3","QURQYCOOFASJLE-VOTSOKGWSA-N",24205423,NA,"PDBC09155","735497","Present",NA,NA
+"9156","1-(Tridecylamino)propan-2-ol;2,4,6-trinitrophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Tridecylamino)propan-2-ol;2,4,6-trinitrophenol",NA,"CCCCCCCCCCCCCNCC(C)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","ZCPXGKUKOMTVDP-UHFFFAOYSA-N",277027,NA,"PDBC09156","125511","Present",NA,NA
+"9157","1-(Trifluoroacetyl)-1a,6a-dihydroindeno[1,2-b]aziren-6(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Trifluoroacetyl)-1a,6a-dihydroindeno[1,2-b]aziren-6(1H)-one",NA,"C1=CC=C2C(=C1)C3C(C2=O)N3C(=O)C(F)(F)F","LZKFDWVKQIDFDH-UHFFFAOYSA-N",373094,NA,"PDBC09157","649014","Present",NA,NA
+"9158","1-(Trifluoroacetyl)-3,5-dibenzylidenepiperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630601",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C(F)(F)F","QAGJOBCHMKIKSL-JYFOCSDGSA-N",5388000,NA,"PDBC09158","630601","Present",NA,NA
+"9159","1-(beta-D-Glucofuranosyl)-6-azauracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(.beta.-D-glucofuranosyl)-6-azauracil",NA,"C1=NN(C(=O)NC1=O)C2C(C(C(O2)C(CO)O)O)O","XZRDFSAXRHHVPX-UHFFFAOYSA-N",381857,NA,"PDBC09159","669027","Present",NA,NA
+"9160","1-(beta-D-Glucofuranosyl)cytosine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(.beta.-D-Glucofuranosyl)cytosine hydrochloride",NA,"C1=CN(C(=O)N=C1N)C2C(C(C(O2)C(CO)O)O)O.Cl","VWIRBZKQNVHAQZ-UHFFFAOYSA-N",360423,NA,"PDBC09160","622559","Present",NA,NA
+"9161","1-(m-Tolyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(m-Tolyl)-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,"CC1=CC(=CC=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","MANTYYIOEGZMJO-UHFFFAOYSA-N",3005266,NA,"PDBC09161","687863","Present",NA,NA
+"9162","1-(m-Tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(m-Tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,"CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=CC=CC=N2","ANJKHGQGRYJRCY-PDGQHHTCSA-N",5367272,NA,"PDBC09162","668336","Present",NA,NA
+"9163","1-(m-Tolyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Phenyl(2-pyridinyl)methylene]-4-(3-methylphenyl)thiosemicarbazide",NA,"CC1=CC(=CC=C1)NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","CVSJWQHRYMFLAV-NMWGTECJSA-N",5785686,NA,"PDBC09163","668327","Present",NA,NA
+"9164","1-(n-Butyl)imidazolium-trans-tetrachlorobis-1- (n-butyl)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(n-Butyl)imidazolium-trans-tetrachlorobis-1- (n-butyl)...",NA,NA,NA,NA,NA,"PDBC09164","630121","Present",NA,NA
+"9165","1-(o-Tolyl)-3-[(Z)-[phenyl(2-pyridyl)methylene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Phenyl(2-pyridinyl)methylene]-4-(2-methylphenyl)thiosemicarbazide",NA,"CC1=CC=CC=C1NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","NFHQFZROVOSMPV-NMWGTECJSA-N",6148953,NA,"PDBC09165","668326","Present",NA,NA
+"9166","1-(p-Methoxybenzyloxy)-(3R)-3-(6-O-t-butydimethylsilyl-beta-D-glucopyrano-syloxy)butane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(p-Methoxybenzyloxy)-(3R)-3-(6-O-t-butydimethylsilyl- ...",NA,"CC(CCOCC1=CC=C(C=C1)OC)OC2C(C(C(C(O2)CO[Si](C)(C)C(C)(C)C)O)O)O","JCEHMHPUDMTGQR-ABNMGAQLSA-N",5469340,NA,"PDBC09166","686500","Present",NA,NA
+"9167","1-(p-Methoxybenzyloxy)-3(R)-3-beta-D-glucopyranosyloxy butane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(p-Methoxybenzyloxy)-3(R)-3-.beta.-D-glucopyranosyloxy...",NA,"CC(CCOCC1=CC=C(C=C1)OC)OC2C(C(C(C(O2)CO)O)O)O","YAMUCQIQMXHPMD-PGGCBECLSA-N",5459289,NA,"PDBC09167","686499","Present",NA,NA
+"9168","1-(p-Tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(p-Tolyl)-3-[(Z)-1-(2-pyridyl)ethylideneamino]thiourea",NA,"CC1=CC=C(C=C1)NC(=S)NN=C(C)C2=CC=CC=N2","ZKSCCNZKLCCYNG-PDGQHHTCSA-N",5892010,NA,"PDBC09168","668334","Present",NA,NA
+"9169","1-(p-Tolylsulfonyl)-6-[1-(p-tolylsulfonyl)pyrrol-3-yl]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(p-Tolylsulfonyl)-6-[1-(p-tolylsulfonyl)pyrrol-3-yl]indole",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C3=CC4=C(C=C3)C=CN4S(=O)(=O)C5=CC=C(C=C5)C","QCZFWHHUTPZNLT-UHFFFAOYSA-N",388216,NA,"PDBC09169","682810","Present",NA,NA
+"9170","1-(t-Butyl)(1,2,4)triazolium-trans-tetrachlorobis-1- (t-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(t-Butyl)(1,2,4)triazolium-trans-tetrachlorobis-1- (t-...",NA,NA,NA,NA,NA,"PDBC09170","630124","Present",NA,NA
+"9171","1-3-[(E)-3-(3-Hydroxyphenyl)-2-propenoyl]phenyl-4-(2-naphthyl)-2,3-dihydro-1H-2-imidazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-(2-nap...",NA,"C1=CC=C2C=C(C=CC2=C1)C3=CN(C(=O)N3)C4=CC=CC(=C4)C(=O)C=CC5=CC(=CC=C5)O","PUUPCBPQLXQKJG-SDNWHVSQSA-N",54613695,NA,"PDBC09171","749805","Present",NA,NA
+"9172","1-3-[(E)-3-(3-Hydroxyphenyl)-2-propenoyl]phenyl-4-phenyl-2,3-dihydro-1H-2-imidazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-4-phenyl...",NA,"C1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC=CC(=C3)C(=O)C=CC4=CC(=CC=C4)O","PGIBHAZJSPMKRF-OUKQBFOZSA-N",49862081,NA,"PDBC09172","749338","Present",NA,NA
+"9173","1-68A Analogue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-68A analogue",NA,"C1=CC(=C(C(=C1C=NOCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)O)O)O","QWVXLUWDQKJYFE-YAXRCOADSA-N",135958413,NA,"PDBC09173","742894","Present",NA,NA
+"9174","1-Acetamido-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetamido-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]thiourea",NA,"CC1=CC(=C(C(=O)O1)C=NC(=S)NNC(=O)C)O","GAPSOZFXJPOTEW-NYYWCZLTSA-N",135409067,NA,"PDBC09174","657573","Present",NA,NA
+"9175","1-Acetamido-5-aminoimidazole-4-carboximidoyl cyanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670244",NA,"CC(=O)NN1C=NC(=C1N)C(=N)C#N","SMFCYZAMIZWLAY-UHFFFAOYSA-N",382603,NA,"PDBC09175","670244","Present",NA,NA
+"9176","1-Acetoxy-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2S,4R,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl] acetate",NA,"CC(=O)OC1=C2C3C(O3)C4=CC=CC5=C4C2=C(C=C1)C6C5O6","WMKVLWDGVRQMEB-XWTMOSNGSA-N",397370,NA,"PDBC09176","705023","Present",NA,NA
+"9177","1-Acetoxy-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,4S,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl] acetate",NA,"CC(=O)OC1=C2C3C(O3)C4=CC=CC5=C4C2=C(C=C1)C6C5O6","WMKVLWDGVRQMEB-MLHJIOFPSA-N",397371,NA,"PDBC09177","705024","Present",NA,NA
+"9178","1-Acetyl-2-amino-9-[(E)-2-diethoxyphosphorylethenyl]purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-2-amino-9-[(E)-2-diethoxyphosphorylethenyl]purin-6-one",NA,"CCOP(=O)(C=CN1C=NC2=C1N=C(N(C2=O)C(=O)C)N)OCC","KSTYYCHMOXPZBI-VOTSOKGWSA-N",5470775,NA,"PDBC09178","704895","Present",NA,NA
+"9179","1-Acetyl-2-amino-9-[(Z)-2-diethoxyphosphorylethenyl]purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-2-amino-9-[(Z)-2-diethoxyphosphorylethenyl]purin-6-one",NA,"CCOP(=O)(C=CN1C=NC2=C1N=C(N(C2=O)C(=O)C)N)OCC","KSTYYCHMOXPZBI-SREVYHEPSA-N",5470776,NA,"PDBC09179","704896","Present",NA,NA
+"9180","1-Acetyl-2-benzyl-2-methoxyindol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-2-benzyl-2-methoxyindol-3-one",NA,"CC(=O)N1C2=CC=CC=C2C(=O)C1(CC3=CC=CC=C3)OC","UBZWPPHDOLCQSU-UHFFFAOYSA-N",360061,NA,"PDBC09180","621859","Present",NA,NA
+"9181","1-Acetyl-2-hydroxy-5-methylbenzo[b]carbazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione",NA,"CC(=O)C1=C(C=CC2=C1C3=C(N2C)C(=O)C4=CC=CC=C4C3=O)O","LNFYTBXXKKKLLF-UHFFFAOYSA-N",404603,NA,"PDBC09181","720995","Present",NA,NA
+"9182","1-Acetyl-2-thiohydantoin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"usaf b-7",NA,"CC(=O)N1CC(=O)NC1=S","DDWXNUFFAFBJDG-UHFFFAOYSA-N",684551,NA,"PDBC09182","1920","Present",NA,NA
+"9183","1-Acetyl-3,3,4,6,7-pentamethyl-5-indolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-3,3,4,6,7-pentamethyl-5-indolinol",NA,"CC1=C(C(=C(C2=C1N(CC2(C)C)C(=O)C)C)O)C","XEZMKIIIVUIQCL-UHFFFAOYSA-N",382330,NA,"PDBC09183","669799","Present",NA,NA
+"9184","1-Acetyl-3,3,4,6-tetramethyl-5-indolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZPAGQZCYDDROJP-UHFFFAOYSA-N",NA,"CC1=CC2=C(C(=C1O)C)C(CN2C(=O)C)(C)C","ZPAGQZCYDDROJP-UHFFFAOYSA-N",382327,NA,"PDBC09184","669796","Present",NA,NA
+"9185","1-Acetyl-3,5-dibenzylidenepiperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630599",NA,"CC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","SEWXXLFUDNZPAF-KVOOEGMKSA-N",5387998,NA,"PDBC09185","630599","Present",NA,NA
+"9186","1-Acetyl-3-(4-methoxy-phenylsulfanyl)-2H-isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-acetyl-3-(4-methoxy-phenylsulfanyl)-2H-isoindole",NA,"CC(=O)C1=C2C=CC=CC2=C(N1)SC3=CC=C(C=C3)OC","BPMIAFLJTXCSKM-UHFFFAOYSA-N",53361731,NA,"PDBC09186","749088","Present",NA,NA
+"9187","1-Acetyl-3-(4-methoxyphenyl)-1H-[1,3,4]oxadiazino[5,6-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-3-(4-methoxyphenyl)-1H-[1,3,4]oxadiazino[5,6-b]quinoxaline",NA,"CC(=O)N1C2=NC3=CC=CC=C3N=C2OC(=N1)C4=CC=C(C=C4)OC","JELHWFYIBBXPIV-UHFFFAOYSA-N",370491,NA,"PDBC09187","643713","Present",NA,NA
+"9188","1-Acetyl-3-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-3-(4H-3,1-benzoxazin-2-yl)imidazolidin-2-thione",NA,"CC(=O)N1CCN(C1=S)C2=NC3=CC=CC=C3CO2","MMJSZRXUJBXUJR-UHFFFAOYSA-N",45028035,NA,"PDBC09188","740811","Present",NA,NA
+"9189","1-Acetyl-3-amino-1H-pyrazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-5-imino-3-pyrazolidinone",NA,"CC(=O)N1C(=O)CC(=N1)N","DZNZNJWEIQZUPD-UHFFFAOYSA-N",387327,NA,"PDBC09189","681072","Present",NA,NA
+"9190","1-Acetyl-3-methyl-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-3-methyl-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=CC=C(C=C1)CC2C(CC(N2C(=O)C)CCC3=CC=CC=C3)(C)C=O","NQKRUOIDANURON-UHFFFAOYSA-N",401725,NA,"PDBC09190","715455","Present",NA,NA
+"9191","1-Acetyl-3-phenyl-6-(3,5-dimethyl-4-hydroxyphenyl)-1,6-dihydro-1,2,4-triazin-5(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-3-phenyl-6-(3,5-dimethyl-4-hydroxyphenyl)-1,6-dihydro-1,2,4-triazin-5(2H)-one",NA,"CC1=CC(=CC(=C1O)C)C2C(=O)NC(=NN2C(=O)C)C3=CC=CC=C3","ICXAIMXLJIPISH-UHFFFAOYSA-N",135426768,NA,"PDBC09191","717211","Present",NA,NA
+"9192","1-Acetyl-4,4-dimethyl-2-(4-nitrophenyl)diazetidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-4,4-dimethyl-2-(4-nitrophenyl)diazetidin-3-one",NA,"CC(=O)N1C(C(=O)N1C2=CC=C(C=C2)[N+](=O)[O-])(C)C","HECFMXUIVBTIOY-UHFFFAOYSA-N",381652,NA,"PDBC09192","668471","Present",NA,NA
+"9193","1-Acetyl-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2S,4R,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl]ethanone",NA,"CC(=O)C1=C2C3C(O3)C4=CC=CC5=C4C2=C(C=C1)C6C5O6","VBGVMPZDNOKGNZ-XWTMOSNGSA-N",397368,NA,"PDBC09193","705021","Present",NA,NA
+"9194","1-Acetyl-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2R,4S,10R,12S)-3,11-Dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaen-6-yl]ethanone",NA,"CC(=O)C1=C2C3C(O3)C4=CC=CC5=C4C2=C(C=C1)C6C5O6","VBGVMPZDNOKGNZ-MLHJIOFPSA-N",397369,NA,"PDBC09194","705022","Present",NA,NA
+"9195","1-Acetyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione",NA,"CC(=O)N1C(=O)N(C(=O)N1)C2=CC=C(C=C2)Cl","VGBSUKYPBPHIOY-UHFFFAOYSA-N",388169,NA,"PDBC09195","682733","Present",NA,NA
+"9196","1-Acetyl-4-(4-methoxyphenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-4-(4-methoxyphenyl)-1,2,4-triazolidine-3,5-dione",NA,"CC(=O)N1C(=O)N(C(=O)N1)C2=CC=C(C=C2)OC","CDWQLPKZMZGOMK-UHFFFAOYSA-N",390564,NA,"PDBC09196","688073","Present",NA,NA
+"9197","1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Aptd",NA,"CC(=O)N1C(=O)N(C(=O)N1)C2=CC=CC=C2","GMFZGVRQOGGCSY-UHFFFAOYSA-N",152126,NA,"PDBC09197","682734","Present",NA,NA
+"9198","1-Acetyl-4-thioformylpiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-4-thioformylpiperazine",NA,"CC(=O)N1CCN(CC1)C=S","IYBAADNGQMARBG-UHFFFAOYSA-N",365327,NA,"PDBC09198","632918","Present",NA,NA
+"9199","1-Acetyl-5-(2-hydroxypropyl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-5-(2-hydroxypropyl)pyrimidine-2,4-dione",NA,"CC(CC1=CN(C(=O)NC1=O)C(=O)C)O","ZLTGXRGAMRHQCK-UHFFFAOYSA-N",370039,NA,"PDBC09199","642602","Present",NA,NA
+"9200","1-Acetyl-5-(3,4,5-trimethoxyphenyl)-3-phenyl-4,5-di-(hydro(1H)pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-Phenyl-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC","GPXBKWFDMRUFFY-UHFFFAOYSA-N",45028881,NA,"PDBC09200","744686","Present",NA,NA
+"9201","1-Acetyl-5-chloro-1H-indole-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-acetyl-5-chloroisatin",NA,"CC(=O)N1C2=C(C=C(C=C2)Cl)C(=O)C1=O","JQIWWFPOUCJCEN-UHFFFAOYSA-N",362457,NA,"PDBC09201","626404","Present",NA,NA
+"9202","1-Acetyl-5-isopropoxy-3-methyl-2-phenylpyrazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-5-isopropoxy-3-methyl-2-phenylpyrazolidine",NA,"CC1CC(N(N1C2=CC=CC=C2)C(=O)C)OC(C)C","IKYCLWWGLXTHBQ-UHFFFAOYSA-N",377005,NA,"PDBC09202","658223","Present",NA,NA
+"9203","1-Acetyl-5-methyl-3-(2-naphthyl)-1H-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetyl-5-methyl-3-(2-naphthyl)-1H-1,2,4-triazole",NA,"CC1=NC(=NN1C(=O)C)C2=CC3=CC=CC=C3C=C2","KNKWBLHSNCNHHS-UHFFFAOYSA-N",386776,NA,"PDBC09203","679484","Present",NA,NA
+"9204","1-Acetylnaphtho[2,3-b]azet-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acetylnaphtho[2,3-b]azet-2-one",NA,"CC(=O)N1C2=CC3=CC=CC=C3C=C2C1=O","FQSGHCPFYLVEQZ-UHFFFAOYSA-N",383831,NA,"PDBC09204","672448","Present",NA,NA
+"9205","1-Acetylthio-1-phenyl-2-nitroethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, thio-,S-[.alpha.-(nitromethyl)benzyl] ester",NA,"CC(=O)SC(C[N+](=O)[O-])C1=CC=CC=C1","YPTUXBSIFZOUKX-UHFFFAOYSA-N",281443,NA,"PDBC09205","134228","Present",NA,NA
+"9206","1-Acridin-9-yl-3-[(Z)-2,3-dichloroallyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acridin-9-yl-3-[(Z)-2,3-dichloroallyl]urea",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=O)NCC(=CCl)Cl","ZVPMTYJNZLZWHT-LUAWRHEFSA-N",5816434,NA,"PDBC09206","664965","Present",NA,NA
+"9207","1-Acridin-9-yl-3-[6-(acridin-9-ylcarbamothioylamino)hexyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acridin-9-yl-3-[6-(acridin-9-ylcarbamothioylamino)hexyl]thiourea",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(=S)NCCCCCCNC(=S)NC4=C5C=CC=CC5=NC6=CC=CC=C64","AENUNLQZPTXCFH-UHFFFAOYSA-N",3004086,NA,"PDBC09207","626151","Present",NA,NA
+"9208","1-Acridin-9-ylpiperidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acridin-9-ylpiperidin-4-ol",NA,"C1CN(CCC1O)C2=C3C=CC=CC3=NC4=CC=CC=C42","ROUXDRGKRHPJQI-UHFFFAOYSA-N",317251,NA,"PDBC09208","248040","Present",NA,NA
+"9209","1-Acryloyl-3,5-bis(4-chlorobenzylidene)piperidine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Acryloyl-3,5-bis(4-chlorobenzylidene)piperidine-4-one",NA,"C=CC(=O)N1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","UANWMDUDDVNHJV-JYFOCSDGSA-N",5351434,NA,"PDBC09209","687849","Present",NA,NA
+"9210","1-Acryloyl-3,5-bis(4-fluorobenzylidene)piperidine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis[(4-fluorophenyl)methylene]- 1-(1...",NA,"C=CC(=O)N1CC(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)C1","JTMAQMMHQYJZRV-JYFOCSDGSA-N",5469427,NA,"PDBC09210","687850","Present",NA,NA
+"9211","1-Acryloyl-3,5-bis(4-methoxybenzylidene)piperidine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis[(4-methoxyphenyl)methylene]- 1-(...",NA,"COC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)OC)C2=O)C(=O)C=C","HUKFHMCTPWIOSR-IWGRKNQJSA-N",5469428,NA,"PDBC09211","687851","Present",NA,NA
+"9212","1-Adamantanamine, N-[(2-bromophenyl)methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-adamantanamine, n-[(2-bromophenyl)methylene]-",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4Br","FXTQHBZNLJFKPZ-UHFFFAOYSA-N",364586,NA,"PDBC09212","631076","Present",NA,NA
+"9213","1-Adamantyl 2-(benzyloxy)-3,5-dichlorobenzenesulfinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl 2-(benzyloxy)-3,5-dichlorobenzenesulfinate",NA,"C1C2CC3CC1CC(C2)(C3)OS(=O)C4=C(C(=CC(=C4)Cl)Cl)OCC5=CC=CC=C5","GXPPFFRVFBAFCB-UHFFFAOYSA-N",361224,NA,"PDBC09213","624182","Present",NA,NA
+"9214","1-Adamantyl 2-methyl-2-propanesulfinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl 2-methyl-2-propanesulfinate",NA,"CC(C)(C)S(=O)OC12CC3CC(C1)CC(C3)C2","AMSIUHRGJNKJAR-UHFFFAOYSA-N",376101,NA,"PDBC09214","656586","Present",NA,NA
+"9215","1-Adamantyl 4-(((2-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[(2-bromi-3,6-dioxo-1,4-cyclohexadienyl...",NA,"C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C(=O)C=CC5=O)Br","HBNOWTYBRHQJFH-UHFFFAOYSA-N",388707,NA,"PDBC09215","683766","Present",NA,NA
+"9216","1-Adamantyl 4-hydroxy-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl 4-hydroxy-2-methyl-5-phenylpyrrole-3-carboxy...",NA,"CC1=C(C(=C(N1)C2=CC=CC=C2)O)C(=O)OC34CC5CC(C3)CC(C5)C4","CUHMBSQJQNUNKB-UHFFFAOYSA-N",393569,NA,"PDBC09216","695638","Present",NA,NA
+"9217","1-Adamantyl 4-methylbenzenesulfinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl 4-methylbenzenesulfinate",NA,"CC1=CC=C(C=C1)S(=O)OC23CC4CC(C2)CC(C4)C3","OATDECSRIAPRKG-UHFFFAOYSA-N",361213,NA,"PDBC09217","624173","Present",NA,NA
+"9218","1-Adamantyl(3-(4-bromo-2-hydroxyphenyl)-2-oxiranyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl(3-(4-bromo-2-hydroxyphenyl)-2-oxiranyl)methanone",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=C(C=C(C=C5)Br)O","WVPPKANAXCRNKN-UHFFFAOYSA-N",386289,NA,"PDBC09218","678046","Present",NA,NA
+"9219","1-Adamantyl(3-(4-chlorophenyl)-2-oxiranyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl(3-(4-chlorophenyl)-2-oxiranyl)methanone",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)Cl","OMIQGPLZYHXYBR-UHFFFAOYSA-N",386286,NA,"PDBC09219","678043","Present",NA,NA
+"9220","1-Adamantyl(3-(4-fluorophenyl)-2-oxiranyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl(3-(4-fluorophenyl)-2-oxiranyl)methanone",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)F","LOXSRQRIHVXPKC-UHFFFAOYSA-N",386285,NA,"PDBC09220","678042","Present",NA,NA
+"9221","1-Adamantyl(3-(4-hydroxyphenyl)-2-oxiranyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl(3-(4-hydroxyphenyl)-2-oxiranyl)methanone",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)O","QVCRRWLRMOGIHT-UHFFFAOYSA-N",386287,NA,"PDBC09221","678044","Present",NA,NA
+"9222","1-Adamantyl(3-(4-methoxyphenyl)-2-oxiranyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl(3-(4-methoxyphenyl)-2-oxiranyl)methanone",NA,"COC1=CC=C(C=C1)C2C(O2)C(=O)C34CC5CC(C3)CC(C5)C4","PKSXYICAEYVKMJ-UHFFFAOYSA-N",386288,NA,"PDBC09222","678045","Present",NA,NA
+"9223","1-Adamantyl(hydroxy)dimethyl-lambda(5)-azane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-1-aminoadamantane N-oxide hydrate",NA,"C[N+](C)(C12CC3CC(C1)CC(C3)C2)[O-]","IYWIVICINGQCIS-UHFFFAOYSA-N",391735,NA,"PDBC09223","691278","Present",NA,NA
+"9224","1-Adamantyl-[3-(3-nitrophenyl)oxiran-2-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, (tricyclo[3.3.1.1(3,7)]decan-1-yl) [3-(3-nitr...",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC(=CC=C5)[N+](=O)[O-]","DWOPRENAUBUKIB-UHFFFAOYSA-N",386283,NA,"PDBC09224","678040","Present",NA,NA
+"9225","1-Adamantyl-[3-(4-nitrophenyl)oxiran-2-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl-[3-(4-nitrophenyl)oxiran-2-yl]methanone",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)C4C(O4)C5=CC=C(C=C5)[N+](=O)[O-]","CBNWFPTVXBGBFO-UHFFFAOYSA-N",386284,NA,"PDBC09225","678041","Present",NA,NA
+"9226","1-Adamantylmethyl 4-((2,5-dihydroxybenzyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689857",NA,"C1C2CC3CC1CC(C2)(C3)COC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O","MXKHJVTZHIIIMQ-UHFFFAOYSA-N",391131,NA,"PDBC09226","689857","Present",NA,NA
+"9227","1-Adamantylmethyl 4-methylbenzenesulfinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantylmethyl 4-methylbenzenesulfinate",NA,"CC1=CC=C(C=C1)S(=O)OCC23CC4CC(C2)CC(C4)C3","CBKSEGHZRUEILH-UHFFFAOYSA-N",361214,NA,"PDBC09227","624174","Present",NA,NA
+"9228","1-Allyl-2-[4-chloro-2-(carbamoylmethylthio)-5-(phenylcarbamo yl)benzenesulfonyl]-3-(5-nitro-2-furfurylidenimino)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Allyl-2-[4-chloro-2-(carbamoylmethylthio)-5-(phenylcar...",NA,"C=CCN=C(NN=CC1=CC=C(O1)[N+](=O)[O-])NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)SCC(=O)N","GQFRUBCFSSUMNB-XODNFHPESA-N",23583768,NA,"PDBC09228","734057","Present",NA,NA
+"9229","1-Allyl-2-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-methylthio benzenesulfonyl]-3-(5-nitro-2-furfulienimino)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Allyl-2-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-methyl...",NA,"CSC1=C(C=C(C(=C1)Cl)C(=O)NC2=CC=C(C=C2)Cl)S(=O)(=O)NC(=NCC=C)NN=CC3=CC=C(O3)[N+](=O)[O-]","VBTVERYCBSUONF-UVHMKAGCSA-N",17756726,NA,"PDBC09229","728512","Present",NA,NA
+"9230","1-Allyl-2-amino-5-phenyl-pyrrole-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Allyl-2-amino-5-phenyl-pyrrole-3,4-dicarbonitrile",NA,"C=CCN1C(=C(C(=C1N)C#N)C#N)C2=CC=CC=C2","LYIQUPXTNPHHFY-UHFFFAOYSA-N",387736,NA,"PDBC09230","681765","Present",NA,NA
+"9231","1-Allyl-2-amino-5-propyl-pyrrole-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Allyl-2-amino-5-propyl-pyrrole-3,4-dicarbonitrile",NA,"CCCC1=C(C(=C(N1CC=C)N)C#N)C#N","VPTQGQRETKPMSL-UHFFFAOYSA-N",387734,NA,"PDBC09231","681763","Present",NA,NA
+"9232","1-Allyl-3-(tert-butyldimethylsilyloxy)-2-styryl-2,3-dihydropyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-allyl-3-(tert-butyldimethylsilyloxy)-2-styryl-2,3-dihy...",NA,"CC(C)(C)[Si](C)(C)OC1C(N(C=CC1=O)CC=C)C=CC2=CC=CC=C2","PORDSGJSNHJCRF-KNJPYWDESA-N",54613206,NA,"PDBC09232","750005","Present",NA,NA
+"9233","1-Allyl-3-[(6-methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Allyl-3-[(6-methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea",NA,"CC1=C(N2C=CSC2=N1)C(=O)NNC(=S)NCC=C","KONGQTGALJUHGP-UHFFFAOYSA-N",3005852,NA,"PDBC09233","649049","Present",NA,NA
+"9234","1-Allyl-3-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Allyl-3-[(Z)-(5-nitro-2-oxo-indolin-3-ylidene)amino]thiourea",NA,"C=CCNC(=S)N=NC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])O","ATHNMYKARKSIGI-UHFFFAOYSA-N",135426761,NA,"PDBC09234","716765","Present",NA,NA
+"9235","1-Allyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Allyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea",NA,"C=CCNC(=S)N=NC1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])CN3CCOCC3)O","GUUSARHCVLKPEY-UHFFFAOYSA-N",135426763,NA,"PDBC09235","716768","Present",NA,NA
+"9236","1-Allyl-4-hydroxy-3-phenyl-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL321696",NA,"C=CCN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)O","YWWXWLRUZYYONF-UHFFFAOYSA-N",54680432,NA,"PDBC09236","675809","Present",NA,NA
+"9237","1-Allyl-4-piperidyl cyclopentyl(1-propynyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-57998",NA,"CC#CC(C1CCCC1)(C(=O)OC2CCN(CC2)CC=C)O","KFAKSXHFDZBAHZ-UHFFFAOYSA-N",380296,NA,"PDBC09237","665777","Present",NA,NA
+"9238","1-Allyl-4-piperidyl cyclopentyl(cis-1-butenyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665775",NA,"CCC=CC(C1CCCC1)(C(=O)OC2CCN(CC2)CC=C)O","XQKHEGYSDODBLT-XGICHPGQSA-N",5468179,NA,"PDBC09238","665775","Present",NA,NA
+"9239","1-Allyl-5-amino-2-propyl-2H-pyrrole-3,3,4-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Allyl-5-amino-2-propyl-2H-pyrrole-3,3,4-tricarbonitrile",NA,"CCCC1C(C(=C(N1CC=C)N)C#N)(C#N)C#N","BRUQQCCAAZKMSO-UHFFFAOYSA-N",387724,NA,"PDBC09239","681753","Present",NA,NA
+"9240","1-Allyl-9-(p-tolylsulfonyl)-2,3,4,9-tetrahydro-1H-indeno[2,1-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indeno[2,1-c]pyridine, 2,3,4,9-tetrahydro-9-[(4-methy...",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2C3=CC=CC=C3C4=C2C(NCC4)CC=C","VNCRYOJGFHUMDP-UHFFFAOYSA-N",394609,NA,"PDBC09240","698189","Present",NA,NA
+"9241","1-Allyloxy-6-methyl-2-vinyl-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Allyloxy-6-methyl-2-vinyl-benzimidazole",NA,"CC1=CC2=C(C=C1)N=C(N2OCC=C)C=C","OSPBKNPMGPLFND-UHFFFAOYSA-N",399714,NA,"PDBC09241","710718","Present",NA,NA
+"9242","1-Amino-1-(4-methoxyphenyl)-3-(2-methylallyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-1-(4-methoxyphenyl)-3-(2-methylallyl)thiourea",NA,"CC(=C)CNC(=S)N(C1=CC=C(C=C1)OC)N","KUWDJLDWVSYKFS-UHFFFAOYSA-N",3004833,NA,"PDBC09242","659925","Present",NA,NA
+"9243","1-Amino-2,3-dimethyl-4-nitroanthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2,3-dimethyl-4-nitroanthracene-9,10-dione",NA,"CC1=C(C(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-])C","YHEAZSDRUOKHIW-UHFFFAOYSA-N",4637536,NA,"PDBC09243","627541","Present",NA,NA
+"9244","1-Amino-2,3-dimethylanthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK367370",NA,"CC1=CC2=C(C(=C1C)N)C(=O)C3=CC=CC=C3C2=O","QNLBFFTVWDTZNQ-UHFFFAOYSA-N",363753,NA,"PDBC09244","628945","Present",NA,NA
+"9245","1-Amino-2-(1-benzofuran-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-(1-benzofuran-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine",NA,"C1=CC=C2C(=C1)C=C(O2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","VHOZNXDWJBTFID-UHFFFAOYSA-N",9572181,NA,"PDBC09245","706449","Present",NA,NA
+"9246","1-Amino-2-(1-benzothiophen-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-(1-benzothiophen-2-ylsulfonyl)-3-(4-chlorophenyl)guanidine",NA,"C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","BDJULBXPMRSJFI-UHFFFAOYSA-N",9572177,NA,"PDBC09246","706445","Present",NA,NA
+"9247","1-Amino-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-(2,1,3-benzothiadiazol-4-ylsulfonyl)-3-(4-chlorophenyl)guanidine",NA,"C1=CC2=NSN=C2C(=C1)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","CRTFIZITNWSRID-UHFFFAOYSA-N",9572174,NA,"PDBC09247","706442","Present",NA,NA
+"9248","1-Amino-2-(2-aminoethylsulfanyl)-4-hydroxyanthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-(2-aminoethylsulfanyl)-4-hydroxyanthracene-9,10-dione",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)SCCN)N","HESKUOPEMOKHLG-UHFFFAOYSA-N",418574,NA,"PDBC09248","102534","Present",NA,NA
+"9249","1-Amino-2-(4-butoxyphenyl)sulfonyl-3-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-(4-butoxyphenyl)sulfonyl-3-(4-chlorophenyl)guanidine",NA,"CCCCOC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NN","DCKYFNPZCPIOHI-UHFFFAOYSA-N",9572175,NA,"PDBC09249","706443","Present",NA,NA
+"9250","1-Amino-2-(tert-butyldimethylsilyoxymethyl)-2-propene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-(tert-butyldimethylsilyoxymethyl)-2-propene",NA,"CC(C)(C)[Si](C)(C)OCC(=C)CN","CBXXPLVQJDBALD-UHFFFAOYSA-N",378447,NA,"PDBC09250","660986","Present",NA,NA
+"9251","1-Amino-2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-3-(4-chlorophenyl)guanidine",NA,"CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","VZOXVAVAGUOFGQ-UHFFFAOYSA-N",9572179,NA,"PDBC09251","706447","Present",NA,NA
+"9252","1-Amino-2-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-3-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-[4-(3-chloro-2-cyanophenoxy)phenyl]sulfonyl-3-(4-chlorophenyl)guanidine",NA,"C1=CC(=C(C(=C1)Cl)C#N)OC2=CC=C(C=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","KREBXXOPVOEKKF-UHFFFAOYSA-N",9572176,NA,"PDBC09252","706444","Present",NA,NA
+"9253","1-Amino-2-[4-(benzenesulfonyl)thiophen-2-yl]sulfonyl-3-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-[4-(benzenesulfonyl)thiophen-2-yl]sulfonyl-3-(4-chlorophenyl)guanidine",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","RIRLASHQKOJUFP-UHFFFAOYSA-N",9572180,NA,"PDBC09253","706448","Present",NA,NA
+"9254","1-Amino-2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-3-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-[5-(benzenesulfonyl)thiophen-2-yl]sulfonyl-3-(4-chlorophenyl)guanidine",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","VGBCLWYMUPDWJC-UHFFFAOYSA-N",9572183,NA,"PDBC09254","706451","Present",NA,NA
+"9255","1-Amino-2-hydroxy-3-naphthoic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-hydroxy-3-naphthoic acid hydrochloride",NA,"C1=CC=C2C(=C1)C=C(C(=C2N)O)C(=O)O.Cl","OZMQFYNCBCOBLU-UHFFFAOYSA-N",385619,NA,"PDBC09255","676931","Present",NA,NA
+"9256","1-Amino-2-naphthalen-1-ylguanidine;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664253",NA,"C1=CC=C2C(=C1)C=CC=C2N=C(N)NN.I","BNIKLVFYFUZMGB-UHFFFAOYSA-N",379567,NA,"PDBC09256","664253","Present",NA,NA
+"9257","1-Amino-3-(2-chloroethyl)-1-methyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-(2-chloroethyl)-1-methyl-urea",NA,"CN(C(=O)NCCCl)N","SGZGTYYQZVDOGX-UHFFFAOYSA-N",388219,NA,"PDBC09257","682813","Present",NA,NA
+"9258","1-Amino-3-(2-methylallyl)-1-(2-naphthyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-(2-methylallyl)-1-(2-naphthyl)thiourea",NA,"CC(=C)CNC(=S)N(C1=CC2=CC=CC=C2C=C1)N","VFQSTEBWKZFRJV-UHFFFAOYSA-N",3004832,NA,"PDBC09258","659924","Present",NA,NA
+"9259","1-Amino-3-(4-chloro-benzylsulfanyl)-propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCI-24915",NA,"C1=CC(=CC=C1CSCC(CN)O)Cl","LENRNEIYYCBCBL-UHFFFAOYSA-N",230263,NA,"PDBC09259","24915","Present",NA,NA
+"9260","1-Amino-3-(4-chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-(4-chlorophenyl)-2-(5-pyridin-2-ylthiophen-2-yl)sulfonylguanidine",NA,"C1=CC=NC(=C1)C2=CC=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN","SAMFRTCQHAYMAV-UHFFFAOYSA-N",9572178,NA,"PDBC09260","706446","Present",NA,NA
+"9261","1-Amino-3-(4-chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-(4-chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonylguanidine",NA,"C1=CC(=CC=C1NC(=NS(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)NN)Cl","SKHZKLPXPZDEJB-UHFFFAOYSA-N",9572173,NA,"PDBC09261","706441","Present",NA,NA
+"9262","1-Amino-3-(4-chlorophenyl)-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-(4-chlorophenyl)-2-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonylguanidine",NA,"CN1C(=CC(=N1)C2=CC=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NN)C(F)(F)F","OOUHZVRRJCWAFQ-UHFFFAOYSA-N",9572182,NA,"PDBC09262","706450","Present",NA,NA
+"9263","1-Amino-3-(6-hydrazinyl-1H-benzimidazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-1-(6-hydrazino-1h-benzimidazol-2-yl)urea",NA,"C1=CC2=C(C=C1NN)NC(=N2)NC(=O)NN","BPPPJWXGUQBJBZ-UHFFFAOYSA-N",399820,NA,"PDBC09263","710918","Present",NA,NA
+"9264","1-Amino-3-(butylsulfinyl)propylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-(butylsulfinyl)propylphosphonic acid",NA,"CCCCS(=O)CCC(N)P(=O)(O)O","KHRMYJHEFDYBPA-UHFFFAOYSA-N",382232,NA,"PDBC09264","669687","Present",NA,NA
+"9265","1-Amino-3-(butylsulfonyl)propylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-(butylsulfonyl)propylphosphonic acid",NA,"CCCCS(=O)(=O)CCC(N)P(=O)(O)O","OOQUOFRFPNHGFJ-UHFFFAOYSA-N",382233,NA,"PDBC09265","669688","Present",NA,NA
+"9266","1-Amino-3-(methylsulfonyl)propylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-(methylsulfonyl)propylphosphonic acid",NA,"CS(=O)(=O)CCC(N)P(=O)(O)O","OVQVMRUICUZELT-UHFFFAOYSA-N",382241,NA,"PDBC09266","669695","Present",NA,NA
+"9267","1-Amino-3-(methylthio)propyl(methyl)phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphinic acid, [1-amino-(3-methylthio)propyl]methyl-",NA,"CP(=O)(C(CCSC)N)O","OUQYPJOGYALLBV-UHFFFAOYSA-N",382225,NA,"PDBC09267","669681","Present",NA,NA
+"9268","1-Amino-3-[(E)-[1-(2-hydroxyphenyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(E)-[1-(2-hydroxyphenyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]thiourea",NA,"C1=CC=C2C(=C1)C(OC2=O)CC(=NNC(=S)NN)C3=CC=CC=C3O","KUFFFEFHLALAHL-DEDYPNTBSA-N",135499153,NA,"PDBC09268","640356","Present",NA,NA
+"9269","1-Amino-3-[(E)-[1-(6-chloro-3-hydroxy-quinoxalin-2-yl)-2-(2,4-dichlorophenyl)-2-hydroxy-ethylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(E)-[1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-(2,4-dichlorophenyl)-2-hydroxyethylidene]amino]thiourea",NA,"C1=CC(=C(C=C1Cl)Cl)C(C(=NNC(=S)NN)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","KFPLYISDELFVFF-DHRITJCHSA-N",135499203,NA,"PDBC09269","644732","Present",NA,NA
+"9270","1-Amino-3-[(E)-[1-(6-chloro-3-hydroxy-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(E)-[1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethylidene]amino]thiourea",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(C(=NNC(=S)NN)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","OCLVLAOKHQSPDZ-YDZHTSKRSA-N",135499176,NA,"PDBC09270","642637","Present",NA,NA
+"9271","1-Amino-3-[(E)-[2-(5,7-dichloro-3-hydroxy-indolin-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(E)-[2-(5,7-dichloro-3-hydroxy-1,2-dihydroindol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea",NA,"COC1=CC=C(C=C1)C(C(=NNC(=O)NN)C2=CC=C(C=C2)OC)C3(CNC4=C3C=C(C=C4Cl)Cl)O","UFJJBRKPPHHJOD-VAMRJTSQSA-N",5928235,NA,"PDBC09271","637670","Present",NA,NA
+"9272","1-Amino-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]urea",NA,"CC1=CC(=C(C(=O)O1)C=NC(=O)NN)O","PJJLHDHJJOMNMZ-XCVCLJGOSA-N",135409058,NA,"PDBC09272","657452","Present",NA,NA
+"9273","1-Amino-3-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-indolin-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[2-(5,7-dichloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]urea",NA,"COC1=CC=C(C=C1)C(C(=NNC(=O)NN)C2=CC=C(C=C2)OC)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","FDKCZXRZFFRTEI-NJZRLIGZSA-N",9570017,NA,"PDBC09273","632023","Present",NA,NA
+"9274","1-Amino-3-[(Z)-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[2-(5-bromo-3-hydroxy-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]urea",NA,"C1=CC=C(C=C1)C(=NNC(=O)NN)CC2(C3=C(C=CC(=C3)Br)NC2=O)O","QCNYSNQEILUJLA-HMAPJEAMSA-N",9569801,NA,"PDBC09274","618522","Present",NA,NA
+"9275","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-2,5,6-trioxo-3-piperidylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,3-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]thiourea",NA,"CC1=C(C(=CC=C1)N2C(=O)C(=NNC(=S)NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C","NCMFOQQNBUKTNQ-XYGWBWBKSA-N",6105086,NA,"PDBC09275","631516","Present",NA,NA
+"9276","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,5,6-trioxo-3-piperidylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]urea",NA,"CC1=CC(=C(C=C1)C)N2C(=O)C(=NNC(=O)NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","ZNYHPZWSURWMDY-XYGWBWBKSA-N",5906786,NA,"PDBC09276","623043","Present",NA,NA
+"9277","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxo-3-piperidylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]urea",NA,"CC1=C(C(=CC=C1)C)N2C(=O)C(=NNC(=O)NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","RISLEAPECJYVQI-MYYYXRDXSA-N",6003340,NA,"PDBC09277","623045","Present",NA,NA
+"9278","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(3,4-dichlorophenyl)-2,5,6-trioxo-3-piperidylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-1-(3,4-dichlorophenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]urea",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=O)NN)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl","LWWAKAUAXQMXTJ-QFEZKATASA-N",5908554,NA,"PDBC09278","623044","Present",NA,NA
+"9279","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-2,5,6-trioxo-1-thiazol-2-yl-3-piperidylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-2,5,6-trioxo-1-thiazol-2-yl-3-piperidylidene]amino]urea",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=O)NN)C(=O)N(C(=O)C3=O)C4=NC=CS4","JBXLDEHZMQEVHG-FBHDLOMBSA-N",6066517,NA,"PDBC09279","635432","Present",NA,NA
+"9280","1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-5,6-dioxo-3-piperidylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[4-(1,3-benzothiazol-2-yl)-5,6-dioxo-3-piperidylidene]amino]urea",NA,"C1C(=NNC(=O)NN)C(C(=O)C(=O)N1)C2=NC3=CC=CC=C3S2","YWYLWUQLRABBMJ-CNHKJKLMSA-N",5926252,NA,"PDBC09280","623763","Present",NA,NA
+"9281","1-Amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5,6-dioxo-3-piperidylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-5,6-dioxo-3-piperidylidene]amino]urea",NA,"C1C(=NNC(=O)NN)C(C(=O)C(=O)N1C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4O3","RPYXWPCJIMBDSF-BRJLIKDPSA-N",5871955,NA,"PDBC09281","623751","Present",NA,NA
+"9282","1-Amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2-ethyl-6-methyl-phenyl)-2,5,6-trioxo-3-piperidylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[4-(1,3-benzoxazol-2-yl)-1-(2-ethyl-6-methylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]thiourea",NA,"CCC1=CC=CC(=C1N2C(=O)C(=NNC(=S)NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3)C","LABLVXYDAPCUIC-QQXSKIMKSA-N",5849176,NA,"PDBC09282","623754","Present",NA,NA
+"9283","1-Amino-3-[2-(aminocarbamothioylamino)ethyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[2-(aminocarbamothioylamino)ethyl]thiourea",NA,"C(CNC(=S)NN)NC(=S)NN","OCODKEGXDNJQND-UHFFFAOYSA-N",3005301,NA,"PDBC09283","689541","Present",NA,NA
+"9284","1-Amino-3-[[2-(4-chloroanilino)-4-methyl-thiazole-5-carbonyl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[[2-(4-chloroanilino)-4-methyl-thiazole-5-carbonyl]amino]thiourea",NA,"CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NNC(=S)NN","VTMPZMWXGYCXIP-UHFFFAOYSA-N",3004229,NA,"PDBC09284","637601","Present",NA,NA
+"9285","1-Amino-3-[[3-(aminocarbamothioylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[[3-(aminocarbamothioylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]thiourea",NA,"CC1(C(=NNC(=S)NN)C(C1=NNC(=S)NN)(C)C)C","MXJKCBQXSFEOEY-UHFFFAOYSA-N",3004348,NA,"PDBC09285","647253","Present",NA,NA
+"9286","1-Amino-3-phenyl-2-propenyl pivalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-phenyl-2-propenyl pivalate",NA,"CC(C)(C)C(=O)OC(C=CC1=CC=CC=C1)N","PDQVZGAHPRRODS-MDZDMXLPSA-N",5469456,NA,"PDBC09286","688341","Present",NA,NA
+"9287","1-Amino-3-phenyl-guanidine, nitric acid salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-phenyl-guanidine, nitric acid salt",NA,"C1=CC=C(C=C1)NC(N)NN.[N+](=O)(O)[O-]","QLFBLPKXJZBFGN-UHFFFAOYSA-N",387146,NA,"PDBC09287","680650","Present",NA,NA
+"9288","1-Amino-3-pyridin-3-ylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Pyridin-3-yl)hydrazinecarboxamide",NA,"C1=CC(=CN=C1)NC(=O)NN","YCKCHOCLHWUEIU-UHFFFAOYSA-N",303863,NA,"PDBC09288","193636","Present",NA,NA
+"9289","1-Amino-4-((4'-amino-2'-sulfo[1,1'-biphenyl]-4-yl)amino)-9,10-dioxo-9,10-dihydro-2-anthracenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Anthracenesulfonic acid, 1-amino-4-[(4'-amino-2'-sulfo...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)C5=C(C=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O)N","DKIXYFHAZQQVHO-UHFFFAOYSA-N",277277,NA,"PDBC09289","125910","Present",NA,NA
+"9290","1-Amino-5-benzoylaminoanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-benzamido-1-aminoanthraquinone",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)N","FWEQPMZEKHHFTB-UHFFFAOYSA-N",67011,NA,"PDBC09290","13981","Present",NA,NA
+"9291","1-Amino-5-sulfanyl-triazole-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-5-sulfanyl-triazole-4-carbohydrazide",NA,"C1(=NNN(C1=S)N)C(=O)NN","AOOGNPNALRRUEW-UHFFFAOYSA-N",3001883,NA,"PDBC09291","684033","Present",NA,NA
+"9292","1-Amino-6,7,8,9-tetrahydro-8-methylthieno[2,3-c]isoquinoline-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-amino-8-methyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxylate",NA,"CC1CCC2=CN=C3C(=C2C1)C(=C(S3)C(=O)OC)N","UPENDRABDYEGNB-UHFFFAOYSA-N",396656,NA,"PDBC09292","703170","Present",NA,NA
+"9293","1-Amino-7-benzyl-3H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-7-benzylxanthine",NA,"C1=CC=C(C=C1)CN2C=NC3=C2C(=O)N(C(=O)N3)N","BTJXXEFSHHKFFM-UHFFFAOYSA-N",391125,NA,"PDBC09293","689743","Present",NA,NA
+"9294","1-Amino-8-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-8-hydroxy-17-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,"CN1C(=O)C2C(C1=O)C3(C4=CC=CC=C4C2(C5=CC=CC=C53)N)O","ZXBWBJZXTCWRKI-UHFFFAOYSA-N",360116,NA,"PDBC09294","621987","Present",NA,NA
+"9295","1-Amino-8-methoxybenzo[f]quinazoline-7,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[f]quinazoline-7,10-dione, 1-amino-7,10-dihydro-8-m...",NA,"COC1=CC(=O)C2=C(C1=O)C=CC3=C2C(=NC=N3)N","DIQVRTKHSPGCNE-UHFFFAOYSA-N",3711067,NA,"PDBC09295","622190","Present",NA,NA
+"9296","1-Amino-9,10-dioxo-4-(3-sulfamoylanilino)anthracene-2-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-9,10-dioxo-4-(3-sulfamoylphenylamino)-9,10-dihyd...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)N)S(=O)(=O)O)N","LHSBZAWDPSTOEY-UHFFFAOYSA-N",272572,NA,"PDBC09296","117079","Present",NA,NA
+"9297","1-Amino-9-oxo-10H-acridine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-9-oxo-10H-acridine-4-carboxylic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)C(=O)O)N","FUOBYFDEHGFQDU-UHFFFAOYSA-N",363819,NA,"PDBC09297","629034","Present",NA,NA
+"9298","1-Aminobenzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656987",NA,"C1=CC=C2C(=C1)N=NN2N","JCXKHYLLVKZPKE-UHFFFAOYSA-N",1367,NA,"PDBC09298","656987","Present",NA,NA
+"9299","1-Aminobicyclo[2.2.1]heptan-2-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670149",NA,"C1CC2(CC1CC2=O)N.Cl","DXZHPTCCGQDLSI-UHFFFAOYSA-N",382539,NA,"PDBC09299","670149","Present",NA,NA
+"9300","1-Aminocyclohexane-1,4-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"0943AB",NA,"C1CC(CCC1C(=O)O)(C(=O)O)N","JDQXFBXJCBUSRJ-UHFFFAOYSA-N",359074,NA,"PDBC09300","619576","Present",NA,NA
+"9301","1-Aminocyclopentane-1,2-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CB 1701",NA,"C1CC(C(C1)(C(=O)O)N)C(=O)O","ICCJHMNYUMDWSP-UHFFFAOYSA-N",244040,NA,"PDBC09301","54407","Present",NA,NA
+"9302","1-Aminomethyl-2-hydroxy-5-p-tolyl-5a,12,12a-tetrahydro-5H-benzo[5,6]cyclohepta[1,2-b]indol-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Aminomethyl-2-hydroxy-5-p-tolyl-5a,11,12,12a-tetrahydr...",NA,"CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN.Cl","SXQFTTLJLBVXCP-UHFFFAOYSA-N",24205100,NA,"PDBC09302","734257","Present",NA,NA
+"9303","1-Anilino-1-tert-butyl-3-isopropyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Anilino-1-tert-butyl-3-isopropyl-urea",NA,"CC(C)NC(=O)N(C(C)(C)C)NC1=CC=CC=C1","KTVGZQRIENFRKT-UHFFFAOYSA-N",390092,NA,"PDBC09303","687035","Present",NA,NA
+"9304","1-Anthramine, N-(2-oxazolin-2-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-20415",NA,"C1COC(=N1)NC2=CC=CC3=CC4=CC=CC=C4C=C32","DYWYQTOLSPOWGU-UHFFFAOYSA-N",379588,NA,"PDBC09304","664279","Present",NA,NA
+"9305","1-Apobornaneacetic acid, 2-chloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Apobornaneacetic acid, 2-chloro-",NA,"CC1(C2CCC1(C(C2)Cl)CC(=O)O)C","OXJNTOQBZAXOPC-UHFFFAOYSA-N",222202,NA,"PDBC09305","7734","Present",NA,NA
+"9306","1-Aza-9-oxafluorene deriv. 7a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-aza-9-oxafluorene deriv. 7a",NA,"CC1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O","OJTSQWGMSXHCRU-UHFFFAOYSA-N",406461,NA,"PDBC09306","724552","Present",NA,NA
+"9307","1-Aza-9-oxafluorene deriv. 7d",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chlor-6-hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine",NA,"C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)O)OC3=NC=C2Cl","ZIQWKLHPPBMFJB-UHFFFAOYSA-N",6538870,NA,"PDBC09307","728336","Present",NA,NA
+"9308","1-Aza-9-oxafluorene deriv. 7e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-6-hydroxy-4-phenylbenzo[4,5]furo[2,3-B]pyridine",NA,"C1=CC=C(C=C1)C2=C3C4=C(C=CC(=C4)O)OC3=NC=C2Br","ALIOQXGVNHUSRG-UHFFFAOYSA-N",6538871,NA,"PDBC09308","731012","Present",NA,NA
+"9309","1-Azabicyclo[2.2.2]oct-3-yl 2-cyclohexyl-2-hydroxy-3-heptynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azabicyclo[2.2.2]oct-3-yl 2-cyclohexyl-2-hydroxy-3-heptynoate",NA,"CCCC#CC(C1CCCCC1)(C(=O)OC2CN3CCC2CC3)O","CZSCWCOOWBSDAG-UHFFFAOYSA-N",380275,NA,"PDBC09309","665754","Present",NA,NA
+"9310","1-Azabicyclo[2.2.2]oct-3-yl 2-cyclopentyl-2-hydroxy-3-heptynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azabicyclo[2.2.2]oct-3-yl 2-cyclopentyl-2-hydroxy-3-heptynoate",NA,"CCCC#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O","XDXCEWNBVOZWDO-UHFFFAOYSA-N",380277,NA,"PDBC09310","665756","Present",NA,NA
+"9311","1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenyl-3-butynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-2-phenyl-3-butynoate",NA,"C#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O","LBPIXGJWUMHEPZ-UHFFFAOYSA-N",380245,NA,"PDBC09311","665726","Present",NA,NA
+"9312","1-Azabicyclo[2.2.2]oct-3-yl 3-phenyl-2,3-dihydro-1-benzofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azabicyclo[2.2.2]oct-3-yl 3-phenyl-2,3-dihydro-1-benzofuran-3-carboxylate",NA,"C1CN2CCC1C(C2)OC(=O)C3(COC4=CC=CC=C43)C5=CC=CC=C5","SXDCIALDVALDBJ-UHFFFAOYSA-N",379985,NA,"PDBC09312","665290","Present",NA,NA
+"9313","1-Azabicyclo[2.2.2]octan-3-yl 2-(2,2-dimethyl-3H-1-benzofuran-7-yl)-2-hydroxy-2-phenylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azabicyclo[2.2.2]oct-3-yl(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)(hydroxy)phenylacetate",NA,"CC1(CC2=C(O1)C(=CC=C2)C(C3=CC=CC=C3)(C(=O)OC4CN5CCC4CC5)O)C","CVHNBQCKIWEHGH-UHFFFAOYSA-N",380241,NA,"PDBC09313","665720","Present",NA,NA
+"9314","1-Azabicyclo[2.2.2]octan-3-yl methanesulfonate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC79422",NA,"CS(=O)(=O)OC1CN2CCC1CC2.Cl","CPTUNXAQAICSLU-UHFFFAOYSA-N",17368346,NA,"PDBC09314","79422","Present",NA,NA
+"9315","1-Azabicyclo[3.2.1.]octanium,8-dimethyl-5-phenyl, chloride, hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azabicyclo[3.2.1.]octanium, 8-hydroxy-1,8-dimethyl-5-p...",NA,"CC1(C2(CCC[N+]1(CC2)C)C3=CC=CC=C3)O.[Cl-]","MQIFXKQIXSMFRZ-UHFFFAOYSA-M",362091,NA,"PDBC09315","625619","Present",NA,NA
+"9316","1-Azido-1,2-benziodoxol-3(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azido-1,2-benziodoxol-3(1H)-one",NA,"C1=CC=C2C(=C1)C(=O)OI2#[N+]N=[N-]","XRUIUFFBFTVHKT-UHFFFAOYSA-N",389735,NA,"PDBC09316","686326","Present",NA,NA
+"9317","1-Azido-2-(2-chloroethyl)-3-methyl-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azido-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)N=[N+]=[N-])C#N","AKNJQLUSTDVMMT-UHFFFAOYSA-N",377273,NA,"PDBC09317","658526","Present",NA,NA
+"9318","1-Azido-2-(2-nitrophenyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-azido-2 '-nitrobiphenyl",NA,"C1=CC=C(C(=C1)C2=CC=CC=C2[N+](=O)[O-])N=[N+]=[N-]","WJSLSWVOIJRZHC-UHFFFAOYSA-N",3246282,NA,"PDBC09318","74390","Present",NA,NA
+"9319","1-Azido-2-(2-pyridyl)-phenalen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-azido-2-(2-pyridyl)-phenalen-3-one",NA,"C1=CC=NC(=C1)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)N=[N+]=[N-]","GUIZIYIZXSXPOY-UHFFFAOYSA-N",381904,NA,"PDBC09319","669160","Present",NA,NA
+"9320","1-Azido-2-acetyl-benzo(II)quinolizin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azido-2-acetyl-benzo(ii)quinolizin-3-one",NA,"CC(=O)C1=C(C2=CC=CC3=C2N(C1=O)CCC3)N=[N+]=[N-]","KVBYYQIOSUHUBI-UHFFFAOYSA-N",387483,NA,"PDBC09320","681285","Present",NA,NA
+"9321","1-Azido-2-benzoyl-phenalen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azido-2-benzoyl-phenalen-3-one",NA,"C1=CC=C(C=C1)C(=O)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)N=[N+]=[N-]","ZYBYQTWZDHJYOV-UHFFFAOYSA-N",387452,NA,"PDBC09321","681260","Present",NA,NA
+"9322","1-Azido-2-formyl-benzo[ij]quinolizin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azido-2-formyl-benzo[ij]quinolizin-3-one",NA,"C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)C=O)N=[N+]=[N-]","UFDNWEYYEPBKDM-UHFFFAOYSA-N",381901,NA,"PDBC09322","669158","Present",NA,NA
+"9323","1-Azido-2-phenoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azido-2-phenoxybenzene",NA,"C1=CC=C(C=C1)OC2=CC=CC=C2N=[N+]=[N-]","VBSAZUXBXQTEJZ-UHFFFAOYSA-N",370019,NA,"PDBC09323","642584","Present",NA,NA
+"9324","1-Azido-2-phenyl-3-phenalenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-azido-2-phenyl-3-phenalenone",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)N=[N+]=[N-]","JPYRTXRWUHGFIC-UHFFFAOYSA-N",381891,NA,"PDBC09324","669152","Present",NA,NA
+"9325","1-Azido-3,3-bis(trifluoromethyl)-1$l^{3},2-benziodoxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azido-3,3-bis(trifluoromethyl)-1$l^{3},2-benziodoxole",NA,"C1=CC=C2C(=C1)C(OI2#[N+]N=[N-])(C(F)(F)F)C(F)(F)F","IBIDEZMNINPQEO-UHFFFAOYSA-N",389734,NA,"PDBC09325","686325","Present",NA,NA
+"9326","1-Azido-3,5,7-trimethyladamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azido-3,5,7-trimethyladamantane",NA,"CC12CC3(CC(C1)(CC(C2)(C3)N=[N+]=[N-])C)C","SYHOVRHYBNQXIZ-UHFFFAOYSA-N",357110,NA,"PDBC09326","614995","Present",NA,NA
+"9327","1-Azido-3,5-dimethyladamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-88820",NA,"CC12CC3CC(C1)(CC(C3)(C2)N=[N+]=[N-])C","YRFQAPSVRBSXEB-UHFFFAOYSA-N",357108,NA,"PDBC09327","614993","Present",NA,NA
+"9328","1-Azido-3-methyladamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azido-3-methyladamantane",NA,"CC12CC3CC(C1)CC(C3)(C2)N=[N+]=[N-]","ZTZVVHOMAGTOJW-UHFFFAOYSA-N",357113,NA,"PDBC09328","614998","Present",NA,NA
+"9329","1-Azido-4-tert-butyl-1-(iodomethyl)cyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azido-4-tert-butyl-1-(iodomethyl)cyclohexane",NA,"CC(C)(C)C1CCC(CC1)(CI)N=[N+]=[N-]","DNJCCCMFFAHOGN-UHFFFAOYSA-N",358282,NA,"PDBC09329","618224","Present",NA,NA
+"9330","1-Azidocyclooct-1-en-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azidocyclooct-1-en-7-one",NA,"C1CCC(=O)CC(=CC1)N=[N+]=[N-]","OOAXVUZYWGGDDY-QPJJXVBHSA-N",5387437,NA,"PDBC09330","623635","Present",NA,NA
+"9331","1-Aziridineacrylic acid, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-23196",NA,"COC(=O)C=CN1CC1","SKDFDFZPLHLQKN-NSCUHMNNSA-N",5362892,NA,"PDBC09331","664001","Present",NA,NA
+"9332","1-Aziridinecarboxamide, N,N'-hexamethylenebis(2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Aziridinecarboxamide, N,N'-hexamethylenebis(2-methyl-",NA,"CC1CN1C(=O)NCCCCCCNC(=O)N2CC2C","QJMVVECCBAWCLZ-UHFFFAOYSA-N",97887,NA,"PDBC09332","54059","Present",NA,NA
+"9333","1-Aziridineethanol, .alpha.(or .beta.)-ethenyl-2-methyl-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Aziridineethanol, .alpha.(or .beta.)-ethenyl-2-methyl-...",NA,NA,NA,NA,NA,"PDBC09333","56900","Present",NA,NA
+"9334","1-Aziridinepropionamide, N,N-diethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-23305",NA,"CCN(CC)C(=O)CCN1CC1","CAGFHNOLWPXDGN-UHFFFAOYSA-N",57556,NA,"PDBC09334","659234","Present",NA,NA
+"9335","1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzhydryl-4-(2-bromo-2-methylpropanoyl)piperazine",NA,"CC(C)(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)Br","RUXAEENIJHBTMW-UHFFFAOYSA-N",357001,NA,"PDBC09335","614570","Present",NA,NA
+"9336","1-Benzhydryl-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Diphenylmethyl)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline",NA,"CN1CCC2=CC(=C(C=C2C1C(C3=CC=CC=C3)C4=CC=CC=C4)OC)OC","FWQAJQNEFXJSOZ-UHFFFAOYSA-N",361533,NA,"PDBC09336","624661","Present",NA,NA
+"9337","1-Benzhydrylsulfanyl-3-(thiophen-2-ylmethylideneamino)propan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzhydrylsulfanyl-3-(thiophen-2-ylmethylideneamino)propan-2-one",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)CN=CC3=CC=CS3","YMZIJVGRMKOGAG-UHFFFAOYSA-N",24205759,NA,"PDBC09337","736576","Present",NA,NA
+"9338","1-Benzhydrylsulfanyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]propan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzhydrylsulfanyl-3-[(3,4,5-trimethoxyphenyl)methylideneamino]propan-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C=NCC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3","KYIXZYSRBGRNTN-UHFFFAOYSA-N",24205756,NA,"PDBC09338","736573","Present",NA,NA
+"9339","1-Benzhydrylsulfanyl-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzhydrylsulfanyl-3-[(4-hydroxy-3-methoxyphenyl)methylideneamino]propan-2-one",NA,"COC1=C(C=CC(=C1)C=NCC(=O)CSC(C2=CC=CC=C2)C3=CC=CC=C3)O","IAPQFLGRQCTRSS-UHFFFAOYSA-N",135580423,NA,"PDBC09339","736574","Present",NA,NA
+"9340","1-Benzo[1,3]dioxol-5-ylmethylpyrrolidine-2-carboxylic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC108895",NA,"C1CC(N(C1)CC2=CC3=C(C=C2)OCO3)C(=O)O.Cl","CRGITQPAELBODM-UHFFFAOYSA-N",24190467,NA,"PDBC09340","108895","Present",NA,NA
+"9341","1-Benzo[a]phenothiazin-12-yl-2-chloroethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzo[a]phenothiazin-12-yl-2-chloroethanone",NA,"C1=CC=C2C(=C1)C=CC3=C2N(C4=CC=CC=C4S3)C(=O)CCl","PYOAVKHMCCKUIE-UHFFFAOYSA-N",319735,NA,"PDBC09341","264938","Present",NA,NA
+"9342","1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-[1,4]diazepan-1-yl)-propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-[1,4]diazep...",NA,"C1CN(CCN(C1)C2=NC3=CC=CC=C3N=C2)CCC(=O)C4=CSC5=CC=CC=C54","PLUYBLULVPKJTP-UHFFFAOYSA-N",45028192,NA,"PDBC09342","741463","Present",NA,NA
+"9343","1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-piperazin-1-yl)-propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzo[b]thiophen-3-yl-3-(4-quinoxalin-2-yl-piperazin-1...",NA,"C1CN(CCN1CCC(=O)C2=CSC3=CC=CC=C32)C4=NC5=CC=CC=C5N=C4","RXVHQMRYPZPUTQ-UHFFFAOYSA-N",45028191,NA,"PDBC09343","741462","Present",NA,NA
+"9344","1-Benzofuran-2-yl(1-benzothien-2-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzofuran-2-yl(1-benzothien-2-yl)methanol",NA,"C1=CC=C2C(=C1)C=C(O2)C(C3=CC4=CC=CC=C4S3)O","CDNGXHKBOAKLEQ-UHFFFAOYSA-N",379090,NA,"PDBC09344","663303","Present",NA,NA
+"9345","1-Benzofuran-2-yl(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-benzoylbenzofuran",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=CC=CC=C3O2","DZRJNLPOTUVETG-UHFFFAOYSA-N",95808,NA,"PDBC09345","37429","Present",NA,NA
+"9346","1-Benzothien-2-yl(2-thienyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzothien-2-yl(2-thienyl)methanol",NA,"C1=CC=C2C(=C1)C=C(S2)C(C3=CC=CS3)O","LTSRADGWEZKGIB-UHFFFAOYSA-N",379088,NA,"PDBC09346","663301","Present",NA,NA
+"9347","1-Benzothien-2-yl(3-furyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzothien-2-yl(3-furyl)methanol",NA,"C1=CC=C2C(=C1)C=C(S2)C(C3=COC=C3)O","BFWAPUYUYMZHAR-UHFFFAOYSA-N",379089,NA,"PDBC09347","663302","Present",NA,NA
+"9348","1-Benzothien-2-yl(3-thienyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzothien-2-yl(3-thienyl)methanol",NA,"C1=CC=C2C(=C1)C=C(S2)C(C3=CSC=C3)O","LTDKXUBOSWUYBZ-UHFFFAOYSA-N",379087,NA,"PDBC09348","663300","Present",NA,NA
+"9349","1-Benzoyl-1H-indole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-1H-indole-3-carbaldehyde",NA,"C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C=O","QMNJJAQYGLNGGN-UHFFFAOYSA-N",363329,NA,"PDBC09349","628186","Present",NA,NA
+"9350","1-Benzoyl-2-benzylpiperidine-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-2-benzylpiperidine-2-carbonitrile",NA,"C1CCN(C(C1)(CC2=CC=CC=C2)C#N)C(=O)C3=CC=CC=C3","VUAUQBHKEVSSFT-UHFFFAOYSA-N",358295,NA,"PDBC09350","618237","Present",NA,NA
+"9351","1-Benzoyl-3-(2-pyridyl)-2-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9XTE4E1837",NA,"C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=N2","PNBLAGJAUXZQTL-UHFFFAOYSA-N",708470,NA,"PDBC09351","176367","Present",NA,NA
+"9352","1-Benzoyl-3-[(E)-2-nitroethenyl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-3-[(E)-2-nitroethenyl]-1H-indole",NA,"C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C=C[N+](=O)[O-]","ZVRNPVWKMUSAJX-ZHACJKMWSA-N",5387875,NA,"PDBC09352","629124","Present",NA,NA
+"9353","1-Benzoyl-3-nitroso-3-methylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-3-nitroso-3-methylguanidine",NA,"CN(C(=NC(=O)C1=CC=CC=C1)N)N=O","YHSOTDXSERVWSU-UHFFFAOYSA-N",388447,NA,"PDBC09353","683374","Present",NA,NA
+"9354","1-Benzoyl-4,4-diethyl-3,5-pyrazolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-4,4-diethyl-3,5-pyrazolidinedione",NA,"CCC1(C(=O)NN(C1=O)C(=O)C2=CC=CC=C2)CC","RNJLYTLOIOZXJO-UHFFFAOYSA-N",388180,NA,"PDBC09354","682745","Present",NA,NA
+"9355","1-Benzoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione",NA,"C1=CC=C(C=C1)C(=O)N2C(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl","GEZMVUGKLDZIRR-UHFFFAOYSA-N",388171,NA,"PDBC09355","682736","Present",NA,NA
+"9356","1-Benzoyl-4-benzyl-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-4-benzyl-1,4,5,6-tetrahydro-3-pyridinecarboxylic acid ethyl ester",NA,"CCOC(=O)C1=CN(CCC1CC2=CC=CC=C2)C(=O)C3=CC=CC=C3","KKIWIJVCGPEFJJ-UHFFFAOYSA-N",402676,NA,"PDBC09356","716862","Present",NA,NA
+"9357","1-Benzoyl-4-benzyl-1,4-dihydro-4-pyridinecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-benzyl-1-(phenylcarbonyl)-1,4-dihydropyridine-4-carboxylate",NA,"CCOC(=O)C1(C=CN(C=C1)C(=O)C2=CC=CC=C2)CC3=CC=CC=C3","GNDDPDFKVFHWIR-UHFFFAOYSA-N",402679,NA,"PDBC09357","716865","Present",NA,NA
+"9358","1-Benzoyl-4-tert-butylpiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-562/12222829",NA,"CC(C)(C)C1CCN(CC1)C(=O)C2=CC=CC=C2","UVPFTRNYXLMKBI-UHFFFAOYSA-N",357556,NA,"PDBC09358","617034","Present",NA,NA
+"9359","1-Benzoyl-6-methoxy-2H-quinoline-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC25434",NA,"COC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)C3=CC=CC=C3","MEKXJXIBGQRISZ-UHFFFAOYSA-N",230493,NA,"PDBC09359","25434","Present",NA,NA
+"9360","1-Benzoyl-6-methoxy-4a,6-dimethyl-3-phenyl-1,4,4a,6,7,7a-hexahydrofuro[3,2-c]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-6-methoxy-4a,6-dimethyl-3-phenyl-1,4,4a,6,7,7a-hexahydrofuro[3,2-c]pyridazine",NA,"CC1(CC2C(O1)(CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C)OC","NLFKESWQOLYPFY-UHFFFAOYSA-N",370816,NA,"PDBC09360","644337","Present",NA,NA
+"9361","1-Benzoyl-8,8a-diphenyl-1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-8,8a-diphenyl-1,2,3,5,6,8a-hexahydroimidazo[1,2-a]pyrazine",NA,"C1CN2CCN(C2(C(=N1)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","HJOKLAGCNUWNDK-UHFFFAOYSA-N",372065,NA,"PDBC09361","646931","Present",NA,NA
+"9362","1-Benzoylpiperidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_048354",NA,"C1CCN(C(C1)C(=O)O)C(=O)C2=CC=CC=C2","KSWNBXOCSNHTLX-UHFFFAOYSA-N",358299,NA,"PDBC09362","618241","Present",NA,NA
+"9363","1-Benzyl 2-ethyl piperidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACT04856",NA,"CCOC(=O)C1CCCCN1C(=O)OCC2=CC=CC=C2","OYIRYYMFKGTFJE-UHFFFAOYSA-N",359214,NA,"PDBC09363","619923","Present",NA,NA
+"9364","1-Benzyl 2-methyl 4-ethylidene-5-thioxo-1,2-pyrrolidinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl 2-methyl 4-ethylidene-5-thioxo-1,2-pyrrolidinedicarboxylate",NA,"CC=C1CC(N(C1=S)C(=O)OCC2=CC=CC=C2)C(=O)OC","IIRXUQHJENBOBU-BASWHVEKSA-N",5469882,NA,"PDBC09364","693716","Present",NA,NA
+"9365","1-Benzyl 2-methyl 5-thioxo-1,2-pyrrolidinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl 2-methyl 5-thioxo-1,2-pyrrolidinedicarboxylate",NA,"COC(=O)C1CCC(=S)N1C(=O)OCC2=CC=CC=C2","DJBJXMMKIZKHMT-UHFFFAOYSA-N",392797,NA,"PDBC09365","693718","Present",NA,NA
+"9366","1-Benzyl 5-methyl 2-(1-hydroxyethyl)-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl 5-methyl 2-(1-hydroxyethyl)-3-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)pentanedioate",NA,"CC(C(C(CC(=O)OC)N1C(C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O","XMOIYHJTZCPCDL-UHFFFAOYSA-N",373028,NA,"PDBC09366","648857","Present",NA,NA
+"9367","1-Benzyl 5-methyl 2-(1-hydroxyethyl)-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl 5-methyl 2-(1-hydroxyethyl)-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)pentanedioate",NA,"CC(C(C(CC(=O)OC)N1C(COC1=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)O","KETIUJUPFPSRLV-UHFFFAOYSA-N",373024,NA,"PDBC09367","648851","Present",NA,NA
+"9368","1-Benzyl 5-methyl 2-acetyl-3-(((benzyloxy)carbonyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl 5-methyl 2-acetyl-3-(((benzyloxy)carbonyl)amino)pentanedioate",NA,"CC(=O)C(C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2","PSPFLYBTFUPGPA-UHFFFAOYSA-N",373015,NA,"PDBC09368","648842","Present",NA,NA
+"9369","1-Benzyl 5-methyl 2-acetyl-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl 5-methyl 2-acetyl-3-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)pentanedioate",NA,"CC(=O)C(C(CC(=O)OC)N1C(COC1=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","GFQPDPJYPJHRKN-UHFFFAOYSA-N",373023,NA,"PDBC09369","648850","Present",NA,NA
+"9370","1-Benzyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(1,1-dimethoxyethyl)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(1,1-dimethoxyethyl)pentanedioate",NA,"CC(C(C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)(OC)OC","AYSMXTMZYGAXMX-UHFFFAOYSA-N",373018,NA,"PDBC09370","648845","Present",NA,NA
+"9371","1-Benzyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate",NA,"CC1(OCCO1)C(C(CC(=O)OC)NC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","SIYJQKOVDXWZSG-UHFFFAOYSA-N",373016,NA,"PDBC09371","648843","Present",NA,NA
+"9372","1-Benzyl 7-methyl 4-((diethoxyphosphoryl)oxy)-5-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-1,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-O-Benzyl 2-O-methyl 5-diethoxyphosphoryloxy-4-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-2,8-dicarboxylate",NA,"CCOP(=O)(OCC)OC1C(C2=C(C=C(N2)C(=O)OC)C3=C1NC=C3C(=O)OCC4=CC=CC=C4)OC","LLKQEXVCEWRSMZ-UHFFFAOYSA-N",386820,NA,"PDBC09372","679528","Present",NA,NA
+"9373","1-Benzyl-1-[4-[benzyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-1-[4-[benzyl(phenylcarbamoyl)amino]butyl]-3-phenyl-urea",NA,"C1=CC=C(C=C1)CN(CCCCN(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4","OKRXJLJYBLLTLF-UHFFFAOYSA-N",393252,NA,"PDBC09373","694879","Present",NA,NA
+"9374","1-Benzyl-1-methylphospholan-1-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC616269",NA,"C[P+]1(CCCC1)CC2=CC=CC=C2.[Br-]","IJBGLONNIPGULR-UHFFFAOYSA-M",357442,NA,"PDBC09374","616269","Present",NA,NA
+"9375","1-Benzyl-1-phenylphosphinan-1-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-1-phenylphosphinan-1-ium;perchlorate",NA,"C1CC[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","CDXCOLXSCAUOGC-UHFFFAOYSA-M",24202003,NA,"PDBC09375","617042","Present",NA,NA
+"9376","1-Benzyl-1H-indole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-001166",NA,"C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=O","OXCITQLDOUGVRZ-UHFFFAOYSA-N",262104,NA,"PDBC09376","95434","Present",NA,NA
+"9377","1-Benzyl-2-(4-phenylphenyl)indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-2-(4-phenylphenyl)indole",NA,"C1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2C4=CC=C(C=C4)C5=CC=CC=C5","CESKRKVVBNNSBG-UHFFFAOYSA-N",392905,NA,"PDBC09377","694087","Present",NA,NA
+"9378","1-Benzyl-2-(benzyloxy)imidazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-2-(benzyloxy)imidazolidine",NA,"C1CN(C(N1)OCC2=CC=CC=C2)CC3=CC=CC=C3","WFGMVJBYUYKXKC-UHFFFAOYSA-N",270389,NA,"PDBC09378","112796","Present",NA,NA
+"9379","1-Benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-2-methyl-1-(2-phenylethyl)-4,5-dihydroimidazol-1-ium",NA,"CC1=NCC[N+]1(CCC2=CC=CC=C2)CC3=CC=CC=C3","DSCWRLBFIKKWFK-UHFFFAOYSA-N",413544,NA,"PDBC09379","49460","Present",NA,NA
+"9380","1-Benzyl-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-amine",NA,"CC1CC(=NC2=CC=CC=C2N1CC3=CC=CC=C3)N","QLFCBNMLXSNGMW-UHFFFAOYSA-N",397527,NA,"PDBC09380","705836","Present",NA,NA
+"9381","1-Benzyl-2-methyl-N-(4-morpholin-4-yl-6-piperidin-1-yl-1,3,5-triazin-2-yl)benzimidazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-benzyl-2-methyl-1H-benzimidazol-5-yl)-(4-morpholin-4-...",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)N5CCOCC5)N6CCCCC6","IKCCPZGMPQBZGX-UHFFFAOYSA-N",155811451,NA,"PDBC09381","771660","Present",NA,NA
+"9382","1-Benzyl-2H-imidazol-2-ide;gold(1+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652538",NA,"C1=CC=C(C=C1)CN2C=CN=[C-]2.C1=CC=C(C=C1)CN2C=CN=[C-]2.C1=CC=C(C=C1)CN2C=CN=[C-]2.[Au+].[Au+].[Au+]","FWFLQXFBNKYHOZ-UHFFFAOYSA-N",374564,NA,"PDBC09382","652538","Present",NA,NA
+"9383","1-Benzyl-3,3-dimethoxy-2-pyrrolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3,3-dimethoxypyrrolidin-2-one",NA,"COC1(CCN(C1=O)CC2=CC=CC=C2)OC","NTUHSEUTVCPMJS-UHFFFAOYSA-N",393285,NA,"PDBC09383","694950","Present",NA,NA
+"9384","1-Benzyl-3,4,5-tris(benzyloxy)-2-piperidinecarbaldehyde oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-2(S)-formyl-3(R),4(R),5(S)- tribenzyloxypiperid...///N-Benzyl-2(R)-formyl-3(R),4(R),5(S)-tribenzyloxy  piperi...",NA,"C1C(C(C(C(N1CC2=CC=CC=C2)C=NO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","IQGGUGHLOLGMLY-XICOUIIWSA-N",9569915,NA,"PDBC09384","625417///625418","Present",NA,NA
+"9385","1-Benzyl-3,5,6-trimethyl-1H-indazole-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3,5,6-trimethyl-1H-indazole-7-carboxamide",NA,"CC1=CC2=C(C(=C1C)C(=O)N)N(N=C2C)CC3=CC=CC=C3","SIXRSDKUNMONNK-UHFFFAOYSA-N",364123,NA,"PDBC09385","629792","Present",NA,NA
+"9386","1-Benzyl-3,5,6-trimethyl-1H-indazole-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3,5,6-trimethyl-1H-indazole-7-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)N(N=C2C)CC3=CC=CC=C3","HNCKQOTVTKXGLG-UHFFFAOYSA-N",367593,NA,"PDBC09386","637425","Present",NA,NA
+"9387","1-Benzyl-3-(3,4-dichlorophenyl)-1-(5-methyl-4,5-dihydrothiazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-(3,4-dichlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)urea",NA,"CC1CN=C(S1)N(CC2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl","WQNIZEQXHLTSNR-UHFFFAOYSA-N",383615,NA,"PDBC09387","672033","Present",NA,NA
+"9388","1-Benzyl-3-(3-chloro-2-methylanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-(3-chloro-2-methylanilino)-4-(4,6-dimethyl-2-...",NA,"CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=C(C(=CC=C4)Cl)C)C","UJNGWNJTQYNXKM-UHFFFAOYSA-N",1194824,NA,"PDBC09388","743225","Present",NA,NA
+"9389","1-Benzyl-3-(3-chloro-4-methoxyanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-(3-chloro-4-methoxyanilino)-4-(4,6-dimethyl-2...",NA,"CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=C(C=C4)OC)Cl)C","JHERQVUWCPKEKT-UHFFFAOYSA-N",1194828,NA,"PDBC09389","743215","Present",NA,NA
+"9390","1-Benzyl-3-(3-chloro-4-methylanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-(3-chloro-4-methylanilino)-4-(4,6-dimethyl-2-...",NA,"CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=NC(=CC(=N4)C)C)Cl","FEHTUSJTZYDHNJ-UHFFFAOYSA-N",1194823,NA,"PDBC09390","743224","Present",NA,NA
+"9391","1-Benzyl-3-(3-chloro-4-methylanilino)-4-(4-chlorophenylsulfa nyl)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-(3-chloro-4-methylanilino)-4-(4-chlorophenyls...",NA,"CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)SC4=CC=C(C=C4)Cl)Cl","FYPWUDQVQCZHHC-UHFFFAOYSA-N",1640207,NA,"PDBC09391","732976","Present",NA,NA
+"9392","1-Benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-(3-hydroxyanilino)-4-phenylsulfanyl-2,5-dihyd...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=CC=CC=C3)NC4=CC(=CC=C4)O","DPCJMFSNFKZIKW-UHFFFAOYSA-N",1593709,NA,"PDBC09392","727764","Present",NA,NA
+"9393","1-Benzyl-3-(3-methylsulfanylquinolin-4-yl)sulfanyl-2,3-dihydroquinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[(3-methylsulfanyl-4-quinolyl)sulfanyl]-2,3-dihydroquinolin-4-one",NA,"CSC1=C(C2=CC=CC=C2N=C1)SC3CN(C4=CC=CC=C4C3=O)CC5=CC=CC=C5","DWCIIVYEQCOHJT-UHFFFAOYSA-N",396650,NA,"PDBC09393","703164","Present",NA,NA
+"9394","1-Benzyl-3-(4-chlorophenylsulfanyl)-4-(3-hydroxyanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-(4-chlorophenylsulfanyl)-4-(3-hydroxyanilino)...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)SC3=CC=C(C=C3)Cl)NC4=CC(=CC=C4)O","OIDUCOCFUZPIJM-UHFFFAOYSA-N",1593711,NA,"PDBC09394","727765","Present",NA,NA
+"9395","1-Benzyl-3-(5-chloro-2-hydroxyanilino)-4-(4,5-dihydro-1H-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-(5-chloro-2-hydroxyanilino)-4-(4,6-dimethyl-2...",NA,"CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=C(C=CC(=C4)Cl)O)C","ZWGOXQUHIXNDAM-UHFFFAOYSA-N",16254141,NA,"PDBC09395","743216","Present",NA,NA
+"9396","1-Benzyl-3-(thiiran-2-ylmethyl)benzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_020767",NA,"C1C(S1)CN2C3=CC=CC=C3N(C2=O)CC4=CC=CC=C4","RKSFZQLJGXVSBG-UHFFFAOYSA-N",374923,NA,"PDBC09396","653508","Present",NA,NA
+"9397","1-Benzyl-3-(trimethylsilyl)-2-propynyl (2-methyl-1,3-dioxolan-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-(trimethylsilyl)-2-propynyl (2-methyl-1,3-dioxolan-2-yl)acetate",NA,"CC1(OCCO1)CC(=O)OC(CC2=CC=CC=C2)C#C[Si](C)(C)C","JYQMZGRHGJRPSR-UHFFFAOYSA-N",394447,NA,"PDBC09397","697921","Present",NA,NA
+"9398","1-Benzyl-3-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]thiourea",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)N=NC(=S)NCC2=CC=CC=C2","BVGAMZCQFDLMLK-UHFFFAOYSA-N",3004374,NA,"PDBC09398","648903","Present",NA,NA
+"9399","1-Benzyl-3-[(3-chlorophenyl)amino]-4-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-2,5-dihydro-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-(3-chloroanilino)-4-(4,6-dimethyl-2-pyrimidin...",NA,"CC1=CC(=NC(=N1)SC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=CC=C4)Cl)C","YKGYTRMNIUWAEM-UHFFFAOYSA-N",1492226,NA,"PDBC09399","743223","Present",NA,NA
+"9400","1-Benzyl-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB01327238-02",NA,"C1=CC=C(C=C1)CNC(=S)NN=CC2=CC=CC=N2","QQVHGUFLVAECFU-GZTJUZNOSA-N",6892730,NA,"PDBC09400","670969","Present",NA,NA
+"9401","1-Benzyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea",NA,"C1=CC=C(C=C1)CNC(=S)N=CC2=C(C3=CC=CC=C3NC2=O)O","OYFCGWBGKUOPHC-RGVLZGJSSA-N",135409095,NA,"PDBC09401","657713","Present",NA,NA
+"9402","1-Benzyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea",NA,"C1=CC=C(C=C1)CNC(=S)N=CC2=C(C3=CC=CC=C3OC2=O)O","VBYHINCHPKEAJW-RGVLZGJSSA-N",135409068,NA,"PDBC09402","657575","Present",NA,NA
+"9403","1-Benzyl-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[(Z)-(6-methyl-2,4-dioxo-pyran-3-ylidene)methyl]thiourea",NA,"CC1=CC(=C(C(=O)O1)C=NC(=S)NCC2=CC=CC=C2)O","IMEJYIOAZGBFAI-RQZCQDPDSA-N",135409061,NA,"PDBC09403","657458","Present",NA,NA
+"9404","1-Benzyl-3-[(Z)-benzylidene]indoline-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[(Z)-benzylidene]indoline-2-one",NA,"C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=CC4=CC=CC=C4)C2=O","HUWZZKFTIUIIDS-HKWRFOASSA-N",5386463,NA,"PDBC09404","611224","Present",NA,NA
+"9405","1-Benzyl-3-[1-(1-benzylindol-3-yl)-1-methyl-ethyl]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[1-(1-benzylindol-3-yl)-1-methyl-ethyl]indole",NA,"CC(C)(C1=CN(C2=CC=CC=C21)CC3=CC=CC=C3)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6","ZEQAMDLBQXIIDY-UHFFFAOYSA-N",361388,NA,"PDBC09405","624412","Present",NA,NA
+"9406","1-Benzyl-3-[11-[3-(benzylcarbamothioylamino)-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-3-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[11-[3-(benzylcarbamothioylamino)-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-benzylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,",NA,"C1CN(CC2=C1C3=C(SC(=NCC4=CC=CC=C4)N=C3S2)NC(=S)NCC5=CC=CC=C5)N6CCC7=C(C6)SC8=NC(=NCC9=CC=CC=C9)SC(=C78)NC(=S)NCC1=CC=CC=C1","YNPQFPYHNFIILQ-UHFFFAOYSA-N",5470738,NA,"PDBC09406","704853","Present",NA,NA
+"9407","1-Benzyl-3-[6-[2-(benzylcarbamothioylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[6-[2-(benzylcarbamothioylamino)-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]thiourea",NA,"C1CN(CC2=C1C(=C(S2)NC(=S)NCC3=CC=CC=C3)C#N)N4CCC5=C(C4)SC(=C5C#N)NC(=S)NCC6=CC=CC=C6","TYVALYYVUQTZLU-UHFFFAOYSA-N",5470737,NA,"PDBC09407","704852","Present",NA,NA
+"9408","1-Benzyl-3-[[2-(butylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[[2-(butylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea",NA,"CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NCC2=CC=CC=C2","WRZXDXQMWHBAKS-UHFFFAOYSA-N",3005196,NA,"PDBC09408","681626","Present",NA,NA
+"9409","1-Benzyl-3-[[2-(cyclohexylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[[2-(cyclohexylcarbamothioylamino)thiazole-4-carbonyl]amino]thiourea",NA,"C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=S)NCC3=CC=CC=C3","SLPDUWREUUGTTF-UHFFFAOYSA-N",3005200,NA,"PDBC09409","681630","Present",NA,NA
+"9410","1-Benzyl-3-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-[[5-(4-chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]thiourea",NA,"CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NNC(=S)NCC4=CC=CC=C4)C5=CC=C(C=C5)Cl","ZTVMUOPEACFMIT-UHFFFAOYSA-N",3001721,NA,"PDBC09410","667707","Present",NA,NA
+"9411","1-Benzyl-3-chloro-4-(2-hydroxyanilino)-2,5-py rroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-chloro-4-(2-hydroxyanilino)-2,5-dihydro-1H-2,...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3O","ASTBKPJOAZKBQG-UHFFFAOYSA-N",1554880,NA,"PDBC09411","727758","Present",NA,NA
+"9412","1-Benzyl-3-chloro-4-(3-chloro-2-methylanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-chloro-4-(3-chloro-2-methylanilino)-2,5-dihyd...",NA,"CC1=C(C=CC=C1Cl)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl","VIVXMKANCIBFSL-UHFFFAOYSA-N",1570150,NA,"PDBC09412","727885","Present",NA,NA
+"9413","1-Benzyl-3-chloro-4-(3-chloro-4-methylanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-chloro-4-(3-chloro-4-methylanilino)-2,5-dihyd...",NA,"CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl)Cl","RBFSDTWKOUOAPS-UHFFFAOYSA-N",1570148,NA,"PDBC09413","727756","Present",NA,NA
+"9414","1-Benzyl-3-chloro-4-(3-chloroanilino)-2,5-pyr roledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-chloro-4-(3-chloroanilino)-2,5-dihydro-1H-2,5...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)Cl","FEOZSGRUFQDKPM-UHFFFAOYSA-N",1554887,NA,"PDBC09414","727759","Present",NA,NA
+"9415","1-Benzyl-3-chloro-4-(3-hydroxy-4-methylanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-chloro-4-(3-hydroxy-4-methylanilino)-2,5-dihy...",NA,"CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl)O","OYDRTPZEJAYELI-UHFFFAOYSA-N",1639987,NA,"PDBC09415","727976","Present",NA,NA
+"9416","1-Benzyl-3-chloro-4-(5-chloro-2-hydroxyanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-chloro-4-(5-chloro-2-hydroxyanilino)-2,5-dihy...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=C(C=CC(=C3)Cl)O","POBKRERSOBCUHZ-UHFFFAOYSA-N",1567787,NA,"PDBC09416","727760","Present",NA,NA
+"9417","1-Benzyl-3-chloro-4-[(2-hydroxy-5-methylphenyl)amino]-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-benzyl-3-chloro-4-(2-hydroxy-5-methylanilino)-2,5-dihy...",NA,"CC1=CC(=C(C=C1)O)NC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)Cl","PJRBIUKCMMJUOL-UHFFFAOYSA-N",731393,NA,"PDBC09417","727731","Present",NA,NA
+"9418","1-Benzyl-3-hexadecyl-2-methylimidazolium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-hexadecyl-2-methylimidazolium chloride",NA,"CCCCCCCCCCCCCCCCN1C=C[N+](=C1C)CC2=CC=CC=C2.[Cl-]","JFPBEFJMCFNEEH-UHFFFAOYSA-M",44219704,NA,"PDBC09418","745343","Present",NA,NA
+"9419","1-Benzyl-3-hydroxypyridinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-3-hydroxypyridinium bromide",NA,"C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)O.[Br-]","JIOVVLHSCLWWBW-UHFFFAOYSA-N",376755,NA,"PDBC09419","657813","Present",NA,NA
+"9420","1-Benzyl-3-methyl-3-phenylsulfanylazetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-methyl-3-phenylsulfanylazetidin-2-one",NA,"CC1(CN(C1=O)CC2=CC=CC=C2)SC3=CC=CC=C3","XFAAWULNWAXRSA-UHFFFAOYSA-N",357712,NA,"PDBC09420","617229","Present",NA,NA
+"9421","1-Benzyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium-6-amine;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-1-benzyl-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium bromide",NA,"CC1=N[N+](=C2N1N=C(S2)N)CC3=CC=CC=C3.[Br-]","PZCFYXCFXWZNTI-UHFFFAOYSA-M",383490,NA,"PDBC09421","671877","Present",NA,NA
+"9422","1-Benzyl-3-pyrrolidinyl hydroxy(diphenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzylpyrrolidin-3-yl 2-hydroxy-2,2-diphenylacetate",NA,"C1CN(CC1OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CC=C4","ZOAOWHPGYZFBSH-UHFFFAOYSA-N",380023,NA,"PDBC09422","665318","Present",NA,NA
+"9423","1-Benzyl-4-((1-phenylethyl)amino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679065///NSC679066",NA,"CC(C1=CC=CC=C1)NC2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4","VOJOIAOGBPBRML-UHFFFAOYSA-N",386612,NA,"PDBC09423","679065///679066","Present",NA,NA
+"9424","1-Benzyl-4-((2-phenylethyl)amino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-4-((2-phenylethyl)amino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,"C1=CC=C(C=C1)CCNC2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4","JZNDPTJJQSJXCV-UHFFFAOYSA-N",386614,NA,"PDBC09424","679068","Present",NA,NA
+"9425","1-Benzyl-4-(1-(4-methoxyphenyl)-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-4-(1-(4-methoxyphenyl)-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine",NA,"COC1=CC=C(C=C1)N2C(=NN=N2)C3(CCN(CC3)CC4=CC=CC=C4)NC5=CC=CC=C5","PONASFNVQVGLDB-UHFFFAOYSA-N",379866,NA,"PDBC09425","665003","Present",NA,NA
+"9426","1-Benzyl-4-(1-benzyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-4-(1-benzyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine",NA,"C1CN(CCC1(C2=NN=NN2CC3=CC=CC=C3)NC4=CC=CC=C4)CC5=CC=CC=C5","BIEFAJJYFCAXBU-UHFFFAOYSA-N",379867,NA,"PDBC09426","665004","Present",NA,NA
+"9427","1-Benzyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile",NA,"C1CCN(C1)C2=C(C(=S)N(C=N2)CC3=CC=CC=C3)C#N","ATETXYMCLNZPJF-UHFFFAOYSA-N",385038,NA,"PDBC09427","675891","Present",NA,NA
+"9428","1-Benzyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,"CN1CCN(CC1)C2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4","VVYXEMNOMZHNFS-UHFFFAOYSA-N",386615,NA,"PDBC09428","679069","Present",NA,NA
+"9429","1-Benzyl-4-(benzylamino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-4-(benzylamino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,"C1=CC=C(C=C1)CNC2=NNC(=O)C3=C2N=NN3CC4=CC=CC=C4","IHHDPAMWQWQMJC-UHFFFAOYSA-N",386616,NA,"PDBC09429","679070","Present",NA,NA
+"9430","1-Benzyl-4-(hexylamino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-4-(hexylamino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,"CCCCCCNC1=NNC(=O)C2=C1N=NN2CC3=CC=CC=C3","YUAMHSCCYGKSFX-UHFFFAOYSA-N",386613,NA,"PDBC09430","679067","Present",NA,NA
+"9431","1-Benzyl-4-(isopropylamino)piperidine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MSWWMXGLWBQMNG-UHFFFAOYSA-N",NA,"CC(C)NC1(CCN(CC1)CC2=CC=CC=C2)C(=O)N","MSWWMXGLWBQMNG-UHFFFAOYSA-N",70573,NA,"PDBC09431","73389","Present",NA,NA
+"9432","1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B4386XQ54S",NA,"C1CN(CCC1(C(=O)O)NC2=CC=CC=C2)CC3=CC=CC=C3","YFSCBWDAVTYIMM-UHFFFAOYSA-N",43544,NA,"PDBC09432","73748","Present",NA,NA
+"9433","1-Benzyl-4-(phenylthio)azocane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-4-(phenylthio)azocane",NA,"C1CCN(CCC(C1)SC2=CC=CC=C2)CC3=CC=CC=C3","ISMYZIIEFHOJAG-UHFFFAOYSA-N",372029,NA,"PDBC09433","646845","Present",NA,NA
+"9434","1-Benzyl-4-[(4-chlorophenyl)amino]piperidine-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VVMOFVNFPBAHLP-UHFFFAOYSA-N",NA,"C1CN(CCC1(C#N)NC2=CC=C(C=C2)Cl)CC3=CC=CC=C3","VVMOFVNFPBAHLP-UHFFFAOYSA-N",70418,NA,"PDBC09434","73396","Present",NA,NA
+"9435","1-Benzyl-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-4-methyl-1-phenyl-2,3-dihydrophosphol-1-ium;(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate",NA,"CC1=C[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.CC1(C2CCC1(C(=O)C2)CS(=O)(=O)[O-])C","QRBLTTVORNOKFC-UHFFFAOYSA-M",24201999,NA,"PDBC09435","617036","Present",NA,NA
+"9436","1-Benzyl-4-methyl-1-phenylphosphepan-1-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-4-methyl-1-phenylphosphepan-1-ium;bromide",NA,"CC1CCC[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]","ULMNZSVJVFDBSO-UHFFFAOYSA-M",357562,NA,"PDBC09436","617047","Present",NA,NA
+"9437","1-Benzyl-5-[(carbamothioylamino)methyl]imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-5-[(carbamothioylamino)methyl]imidazole-4-carboxamide",NA,"C1=CC=C(C=C1)CN2C=NC(=C2CNC(=S)N)C(=O)N","OGOBNTYUGWYGDO-UHFFFAOYSA-N",3004068,NA,"PDBC09437","625658","Present",NA,NA
+"9438","1-Benzyl-5-cyano-1H-imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-5-cyano-1H-imidazole-4-carboxamide",NA,"C1=CC=C(C=C1)CN2C=NC(=C2C#N)C(=O)N","KZXNQWGHUTVECA-UHFFFAOYSA-N",362121,NA,"PDBC09438","625654","Present",NA,NA
+"9439","1-Benzyl-5-nitro-2H-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB44974",NA,"C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2","MWUWHJNIEUTQSJ-UHFFFAOYSA-N",384995,NA,"PDBC09439","675822","Present",NA,NA
+"9440","1-Benzyl-5-nitro-3-phenylmethoxyindazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-benzyloxy-5-nitro-indazole",NA,"C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4","RUJMERFUMDLBHZ-UHFFFAOYSA-N",386338,NA,"PDBC09440","678121","Present",NA,NA
+"9441","1-Benzyl-5-phenyl-7-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-5-phenyl-7-(trifluoromethyl)oxazolo[5,4-b]pyridin-2-one",NA,"C1=CC=C(C=C1)CN2C3=C(N=C(C=C3C(F)(F)F)C4=CC=CC=C4)OC2=O","WYOZBBWCQSDKIV-UHFFFAOYSA-N",397734,NA,"PDBC09441","706157","Present",NA,NA
+"9442","1-Benzyl-6,8-bis(4-chlorophenyl)-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-6,8-bis(4-chlorophenyl)-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,"C1=CC=C(C=C1)CN2C3(C(=O)N(C(=O)N3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)SC=N2","LGAPDRNUXCXQAP-UHFFFAOYSA-N",364473,NA,"PDBC09442","630740","Present",NA,NA
+"9443","1-Benzyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,"C1=CC=C(C=C1)CN2C3(C(=O)N(C(=O)N3C4=CC=CC=C4)C5=CC=CC=C5)SC=N2","SYNKJCGMHUAQMQ-UHFFFAOYSA-N",364472,NA,"PDBC09443","630739","Present",NA,NA
+"9444","1-Benzyl-6-(1-naphthyl)-3,5-bis(phenylsulfonyl)-1,2,3,6-tetrahydropyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-6-(1-naphthyl)-3,5-bis(phenylsulfonyl)-1,2,3,6-tetrahydropyridine",NA,"C1C(C=C(C(N1CC2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)S(=O)(=O)C5=CC=CC=C5)S(=O)(=O)C6=CC=CC=C6","ZNQRGNUAHDHGRO-UHFFFAOYSA-N",361145,NA,"PDBC09444","623977","Present",NA,NA
+"9445","1-Benzyl-6-oxo-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-6-oxo-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile",NA,"C1CCN(C1)C2=C(C(=O)N(C=N2)CC3=CC=CC=C3)C#N","MKNPBVIFFXEYFA-UHFFFAOYSA-N",385037,NA,"PDBC09445","675890","Present",NA,NA
+"9446","1-Benzyl-7-phenyl-2,3-dihydroimidazo[1,2-a]pyrimidine-5(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-7-phenyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin...",NA,"C1CN2C(=O)C=C(N=C2N1CC3=CC=CC=C3)C4=CC=CC=C4","POYMHOMQISCZKL-UHFFFAOYSA-N",11460869,NA,"PDBC09446","732628","Present",NA,NA
+"9447","1-Benzyl-8-benzyloxy-quinolin-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-8-benzyloxy-quinolin-1-ium",NA,"C1=CC=C(C=C1)C[N+]2=CC=CC3=C2C(=CC=C3)OCC4=CC=CC=C4.[Cl-]","IZDWMRRNRVWWOV-UHFFFAOYSA-M",372057,NA,"PDBC09447","646917","Present",NA,NA
+"9448","1-Benzyl-9-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,7-diazaspiro[4.4]nonane-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-9-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-1,7-diazaspiro[4.4]nonane-2,6-dione",NA,"CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C2CNC(=O)C23CCC(=O)N3CC4=CC=CC=C4","YGBZDELKCFINNB-UHFFFAOYSA-N",6712891,NA,"PDBC09448","718572","Present",NA,NA
+"9449","1-Benzyl-N-methyl-5-sulfanyl-triazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-N-methyl-5-sulfanyl-triazole-4-carboxamide",NA,"CNC(=O)C1=NNN(C1=S)CC2=CC=CC=C2","NUFZXXUXVLFODN-UHFFFAOYSA-N",3005219,NA,"PDBC09449","683597","Present",NA,NA
+"9450","1-Benzylidene-4-(1-naphthyl)semicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzylidene-4-(1-naphthyl)semicarbazide",NA,"C1=CC=C(C=C1)C=NNC(=O)NC2=CC=CC3=CC=CC=C32","MVEGRTOEVJPZFT-UYRXBGFRSA-N",5899597,NA,"PDBC09450","674492","Present",NA,NA
+"9451","1-Benzylpiperidine-3-thiol;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzylpiperidine-3-thiol;hydrobromide",NA,"C1CC(CN(C1)CC2=CC=CC=C2)S.Br","UJSALRCYMJAVKR-UHFFFAOYSA-N",5458801,NA,"PDBC09451","351112","Present",NA,NA
+"9452","1-Benzylsulfinyl-2,4-dinitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Benzylsulfinyl)-2,4-dinitrobenzene",NA,"C1=CC=C(C=C1)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","LKWVQGBAQZESOK-UHFFFAOYSA-N",275684,NA,"PDBC09452","122656","Present",NA,NA
+"9453","1-Benzylsulfonyl-2,4-dinitro-benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzylsulfonyl-2,4-dinitro-benzene",NA,"C1=CC=C(C=C1)CS(=O)(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","HZFBXPDDUCZHGX-UHFFFAOYSA-N",275685,NA,"PDBC09453","122657","Present",NA,NA
+"9454","1-Bicyclo[2.2.1]hept-5-en-2-yl-2-hydroxyethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bicyclo[2.2.1]hept-5-en-2-yl-2-hydroxyethanone",NA,"C1C2CC(C1C=C2)C(=O)CO","ZLNQXDOEGPAEBF-UHFFFAOYSA-N",362194,NA,"PDBC09454","625792","Present",NA,NA
+"9455","1-Bicyclo[3.1.1]hept-6-ylacetone semicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bicyclo[3.1.1]hept-6-ylacetone semicarbazone",NA,"CC(=NNC(=O)N)CC1C2CCCC1C2","XFCNUFWXKHTDGW-NTUHNPAUSA-N",9571642,NA,"PDBC09455","694175","Present",NA,NA
+"9456","1-Bis(4-chlorophenoxy)phosphorylaziridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bis(4-chlorophenoxy)phosphorylaziridine",NA,"C1CN1P(=O)(OC2=CC=C(C=C2)Cl)OC3=CC=C(C=C3)Cl","FKWDRQKKGHCZMJ-UHFFFAOYSA-N",345885,NA,"PDBC09456","403801","Present",NA,NA
+"9457","1-Boc-2-Chloro-3-formyl-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM180922718",NA,"CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C=O","FXGYYINAPYFDDP-UHFFFAOYSA-N",405276,NA,"PDBC09457","722429","Present",NA,NA
+"9458","1-Bromo-2,3-dimethoxy-5-[(E)-2-nitroethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1-bromo-2,3-dimethoxy-5-(2-nitroethenyl)-",NA,"COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])Br)OC","DVEVFGAGQYOEPX-ONEGZZNKSA-N",5858115,NA,"PDBC09458","365712","Present",NA,NA
+"9459","1-Bromo-2,4-dinitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-dinitrobromobenzene",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br","PBOPJYORIDJAFE-UHFFFAOYSA-N",11441,NA,"PDBC09459","3808","Present",NA,NA
+"9460","1-Bromo-2-bromomethyl-o-carborane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-2-bromomethyl-o-carborane",NA,NA,NA,NA,NA,"PDBC09460","676529","Present",NA,NA
+"9461","1-Bromo-2-iodo-trans-2-butene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-2-iodo-trans-2-butene",NA,"CC=C(CBr)I","BWGFXGKYRIWCCL-DUXPYHPUSA-N",5466664,NA,"PDBC09461","640440","Present",NA,NA
+"9462","1-Bromo-2-pentadecanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-2-pentadecanone",NA,"CCCCCCCCCCCCCC(=O)CBr","VQSBLCYXZVPAIA-UHFFFAOYSA-N",125829,NA,"PDBC09462","617806","Present",NA,NA
+"9463","1-Bromo-3,6,7-trichloro-3,7-dimethyloctan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-3,6,7-trichloro-3,7-dimethyloctan-2-one",NA,"CC(C)(C(CCC(C)(C(=O)CBr)Cl)Cl)Cl","DVCXUKCFXDSRRN-UHFFFAOYSA-N",382939,NA,"PDBC09463","670816","Present",NA,NA
+"9464","1-Bromo-3,6-dichloro-3,7-dimethyloctan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-3,6-dichloro-3,7-dimethyloctan-2-one",NA,"CC(C)C(CCC(C)(C(=O)CBr)Cl)Cl","CATNWVXWJBNKHQ-UHFFFAOYSA-N",382936,NA,"PDBC09464","670813","Present",NA,NA
+"9465","1-Bromo-3-methoxycyclobutanecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-3-methoxycyclobutanecarbonitrile",NA,"COC1CC(C1)(C#N)Br","MMBDJVYDKLFTAF-UHFFFAOYSA-N",361874,NA,"PDBC09465","625196","Present",NA,NA
+"9466","1-Bromo-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,4R,10R,12S)-6-Bromo-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene",NA,"C1=CC2=C3C(=C1)C4C(O4)C5=C(C=CC(=C53)C6C2O6)Br","DRKTVMCQLWVGFV-XUWVNRHRSA-N",397366,NA,"PDBC09466","705019","Present",NA,NA
+"9467","1-Bromo-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,4S,10R,12S)-6-Bromo-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene",NA,"C1=CC2=C3C(=C1)C4C(O4)C5=C(C=CC(=C53)C6C2O6)Br","DRKTVMCQLWVGFV-JJXSEGSLSA-N",397367,NA,"PDBC09467","705020","Present",NA,NA
+"9468","1-Bromo-5-methoxy-2-(methoxymethoxymethyl)-4-phenylmethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-5-methoxy-2-(methoxymethoxymethyl)-4-phenylmethoxybenzene",NA,"COCOCC1=CC(=C(C=C1Br)OC)OCC2=CC=CC=C2","HEGFXKNLADAHJJ-UHFFFAOYSA-N",359389,NA,"PDBC09468","620232","Present",NA,NA
+"9469","1-Bromo-7-(dimethylamino)-3,3-diphenylheptan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC21350",NA,"CN(C)CCCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)CBr","YLRCHBNKPCVZRP-UHFFFAOYSA-N",409480,NA,"PDBC09469","21350","Present",NA,NA
+"9470","1-Bromo-N,N-diethylethylenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-N,N-diethylethylenamine",NA,"CCN(CC)C(=C)Br","SSWZZOWQPMCHBZ-UHFFFAOYSA-N",372276,NA,"PDBC09470","647334","Present",NA,NA
+"9471","1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-N-cycloheptyl-1,1,1-triphenyl-lambda~5~-phosphanamine",NA,"C1CCCC(CC1)NP(C2=CC=CC=C2)(C3=CC=CC=C3)(C4=CC=CC=C4)Br","PMTRLHZAJQQSTL-UHFFFAOYSA-N",264143,NA,"PDBC09471","99060","Present",NA,NA
+"9472","1-Bromotriphenyldi(p-tolyl)cyclopenta-2,4-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromotriphenyldi(p-tolyl)cyclopenta-2,4-diene",NA,"CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=CC=C5)Br)C6=CC=CC=C6","AHVFYSXLAHRWAR-UHFFFAOYSA-N",369675,NA,"PDBC09472","641696","Present",NA,NA
+"9473","1-Butanesulfonamide, monomethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyph...",NA,"CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O","ACMLFRXOFKPNRH-UHFFFAOYSA-N",316348,NA,"PDBC09473","243930","Present",NA,NA
+"9474","1-Butanesulfonic acid, monosodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butanesulfonic acid, 1-hydroxy-3-(2-methoxyethoxy)-2-o...",NA,"CC(C(=O)C(O)S(=O)(=O)O)OCCOC.[Na+]","NNVKDHDWMRPIQN-UHFFFAOYSA-N",24182486,NA,"PDBC09474","17234","Present",NA,NA
+"9475","1-Butanone,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(1-piperidinyl)-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(1...",NA,"CCN1C2=C(C=C(C=C2)C(=O)CCCN3CCCCC3)C4=C1C=CC(=C4)C(=O)CCCN5CCCCC5.Cl","FDABYPIQUUHCDT-UHFFFAOYSA-N",54601560,NA,"PDBC09475","292817","Present",NA,NA
+"9476","1-Butanone,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(dimethylamino)-, (E)-2-butenedioate (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(d...",NA,"CCN1C2=C(C=C(C=C2)C(=O)CCCN(C)C)C3=C1C=CC(=C3)C(=O)CCCN(C)C.C(=CC(=O)O)C(=O)O","PKYSXPPNWOOUNL-WLHGVMLRSA-N",20841523,NA,"PDBC09476","292816","Present",NA,NA
+"9477","1-Butanone,5-bis[4,4,4-trifluoro-3-hydroxy-2-oxo-3-(trifluoromethyl)butyl]phenyl]-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butanone, 1-[3,5-bis[4,4,4-trifluoro-3-hydroxy-2-oxo-3...",NA,"C1=C(C=C(C=C1CC(=O)C(C(F)(F)F)(C(F)(F)F)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O)CC(=O)C(C(F)(F)F)(C(F)(F)F)O","HGUWWQSCJRFGHZ-UHFFFAOYSA-N",294096,NA,"PDBC09477","162047","Present",NA,NA
+"9478","1-Butanoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butanoyl-4-(4-chlorophenyl)-1,2,4-triazolidine-3,5-dione",NA,"CCCC(=O)N1C(=O)N(C(=O)N1)C2=CC=C(C=C2)Cl","NKQXNINPHCKIJA-UHFFFAOYSA-N",388170,NA,"PDBC09478","682735","Present",NA,NA
+"9479","1-Butanoyl-4-tert-butyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyryl-4-tert-butyl-1,2,4-triazolidine-3,5-dione",NA,"CCCC(=O)N1C(=O)N(C(=O)N1)C(C)(C)C","YUQDBUAHIJJIOQ-UHFFFAOYSA-N",388174,NA,"PDBC09479","682739","Present",NA,NA
+"9480","1-Butoxy-4-(dichloromethylidene)-3,5-dimethyl-1lambda5-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butoxy-4-(dichloromethylidene)-3,5-dimethyl-1,4-dihydrophosphinine 1-oxide",NA,"CCCCOP1(=O)C=C(C(=C(Cl)Cl)C(=C1)C)C","LGIVALBYJSDCTP-UHFFFAOYSA-N",372646,NA,"PDBC09480","648100","Present",NA,NA
+"9481","1-Butoxy-4-chloro-3-methoxy-3,5-dimethyl-2,6-dihydro-1lambda5-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butoxy-4-chloro-3-methoxy-3,5-dimethyl-1,2,3,6-tetrahydrophosphinine 1-oxide",NA,"CCCCOP1(=O)CC(=C(C(C1)(C)OC)Cl)C","HUXGEBOFGVLCDR-UHFFFAOYSA-N",374238,NA,"PDBC09481","651733","Present",NA,NA
+"9482","1-Butoxy-4-chloro-3-methyl-1,2-dihydrophosphorin 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butoxy-4-chloro-3-methyl-1,2-dihydrophosphinine 1-oxide",NA,"CCCCOP1(=O)CC(=C(C=C1)Cl)C","QSJKCCKVFDWHLZ-UHFFFAOYSA-N",370738,NA,"PDBC09482","644258","Present",NA,NA
+"9483","1-Butyl-2-[(Z)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 1-butyl-2-[2-(2,4,6-trimethoxyphenyl)etheny...",NA,"CCCC[N+]1=C(C=CC2=CC=CC=C21)C=CC3=C(C=C(C=C3OC)OC)OC.[I-]","CCZVVSALPPSFTB-HPWRNOGASA-M",54601751,NA,"PDBC09483","263626","Present",NA,NA
+"9484","1-Butyl-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-3-(4-oxo-2-phenyl-quinazolin-3-yl)thiourea",NA,"CCCCNC(=S)NN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3","GVIGEECDJRRACI-UHFFFAOYSA-N",3004440,NA,"PDBC09484","653935","Present",NA,NA
+"9485","1-Butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,"CCCCNC(=S)NN=CC1=CC=CC(=N1)C","ZIBHAWZAOBJNEG-NTEUORMPSA-N",9554756,NA,"PDBC09485","673826","Present",NA,NA
+"9486","1-Butyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea",NA,"CCCCNC(=S)N=CC1=C(C2=CC=CC=C2NC1=O)O","UGHBMZQASZAIAZ-RQZCQDPDSA-N",135409159,NA,"PDBC09486","661452","Present",NA,NA
+"9487","1-Butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]thiourea",NA,"CCCCNC(=S)N=CC1=C(C2=CC=CC=C2OC1=O)O","XODVYTUHFYMRPW-RQZCQDPDSA-N",135409078,NA,"PDBC09487","657592","Present",NA,NA
+"9488","1-Butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]urea",NA,"CCCCNC(=O)N=CC1=C(C2=CC=CC=C2OC1=O)O","MCTUYJBBQGGBFL-RQZCQDPDSA-N",135409039,NA,"PDBC09488","655964","Present",NA,NA
+"9489","1-Butyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,"CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NC2CCCCC2","RPWYEFSLVRZVPI-UHFFFAOYSA-N",3005195,NA,"PDBC09489","681625","Present",NA,NA
+"9490","1-Butyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,"CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NCC","RVUJJMVSLPWQCS-UHFFFAOYSA-N",3005194,NA,"PDBC09490","681624","Present",NA,NA
+"9491","1-Butyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,"CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=S)NC2=CC=CC=C2","FENDGNNVWIJQSB-UHFFFAOYSA-N",3005197,NA,"PDBC09491","681627","Present",NA,NA
+"9492","1-Butyl-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]pyrimidine-4-carbonyl]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]pyrimidine-4-carbonyl]amino]urea",NA,"CCCCNC(=O)NNC(=O)C1=NC=NC(=C1)C=CC2=CC(=CC=C2)[N+](=O)[O-]","ZMNZOGJJPMVXLR-BQYQJAHWSA-N",5388440,NA,"PDBC09492","636121","Present",NA,NA
+"9493","1-Butyl-5-methyl-6H-pyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-5-methyl-2H-pyrido[4,3-b]carbazole",NA,"CCCCC1=C2C=C3C4=CC=CC=C4N=C3C(=C2C=CN1)C","FZAOIFFHTFFVQJ-UHFFFAOYSA-N",285250,NA,"PDBC09493","142055","Present",NA,NA
+"9494","1-Butyl-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-4-propanoylpyrrole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyl-N-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-2,5-dimethyl-4-propanoylpyrrole-3-carboxamide",NA,"CCCCN1C(=C(C(=C1C)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3Cl)C(=O)CC)C","VJSYOPVHOTZUGA-UHFFFAOYSA-N",401080,NA,"PDBC09494","713903","Present",NA,NA
+"9495","1-C-(5-Chloro-1H-benzimidazol-2-yl)pentitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18719",NA,"C1=CC2=C(C=C1Cl)NC(=N2)C(C(C(C(CO)O)O)O)O","OTJUGWIBOBZMSV-UHFFFAOYSA-N",227263,NA,"PDBC09495","18719","Present",NA,NA
+"9496","1-Carbazol-9-yl-2-(N-phenylanilino)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(9H-Carbazol-9-yl)-2-(diphenylamino)propan-1-one",NA,"CC(C(=O)N1C2=CC=CC=C2C3=CC=CC=C31)N(C4=CC=CC=C4)C5=CC=CC=C5","XTPHFCYYGGEMIJ-UHFFFAOYSA-N",375091,NA,"PDBC09496","654104","Present",NA,NA
+"9497","1-Carboxycyclohexaneacetic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BJ25YSI2X8",NA,"C1CCC(CC1)(CC(=O)O)C(=O)O","SDAXMMUAZRUWNL-UHFFFAOYSA-N",260003,NA,"PDBC09497","90823","Present",NA,NA
+"9498","1-Chloro-1,4,4-trimethyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-1,4,4-trimethyl-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,"CC1(CC2=CC=CC=C2C(C(=O)N1)(C)Cl)C","LFFIVZOKZLZXCX-UHFFFAOYSA-N",378699,NA,"PDBC09498","661751","Present",NA,NA
+"9499","1-Chloro-2,7-dimethyl-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-2,7-dimethyl-phenothiazone",NA,"CC1=CC2=C(C=C1)N=C3C(=CC(=O)C(=C3Cl)C)S2","JZMVJSFLFSCAEC-UHFFFAOYSA-N",369393,NA,"PDBC09499","641157","Present",NA,NA
+"9500","1-Chloro-2-(2-chloroethyl)-3,7,8-trimethylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-2-(2-chloroethyl)-3,7,8-trimethylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=N2)C#N)C)CCCl)Cl","SMOICAGOEIBYJQ-UHFFFAOYSA-N",379743,NA,"PDBC09500","664715","Present",NA,NA
+"9501","1-Chloro-2-(2-chloroethyl)-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[1,2-a]benzimidazole-4-carbonitrile, 1-chloro- 2-(...",NA,"CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)Cl)C#N","FUFPNFLKYVGOQV-UHFFFAOYSA-N",373493,NA,"PDBC09501","649900","Present",NA,NA
+"9502","1-Chloro-2-(dibromomethyl)anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37599",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(Br)Br)Cl","ROOIMHSTHJEPGE-UHFFFAOYSA-N",235828,NA,"PDBC09502","37599","Present",NA,NA
+"9503","1-Chloro-2-nitro-5H-phenanthridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-2-nitrophenanthridin-6(5h)-one",NA,"C1=CC=C2C(=C1)C3=C(C=CC(=C3Cl)[N+](=O)[O-])NC2=O","CDVPJXNXZHJRIO-UHFFFAOYSA-N",278740,NA,"PDBC09503","128635","Present",NA,NA
+"9504","1-Chloro-3-(3-chloropropylsulfonylsulfanyl)propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Disulfoxide, bis(3-chloropropyl)",NA,"C(CSS(=O)(=O)CCCCl)CCl","YCHXMSKECUPYAH-UHFFFAOYSA-N",355643,NA,"PDBC09504","609695","Present",NA,NA
+"9505","1-Chloro-3-methylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-04882",NA,"CC1=C(C2=NC3=CC=CC=C3N2C(=C1)Cl)C#N","AKFXQYMORAUSBD-UHFFFAOYSA-N",355876,NA,"PDBC09505","610507","Present",NA,NA
+"9506","1-Chloro-4-((10-((4-chlorophenyl)thio)decyl)thio)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-4-((10-((4-chlorophenyl)thio)decyl)thio)benzene",NA,"C1=CC(=CC=C1SCCCCCCCCCCSC2=CC=C(C=C2)Cl)Cl","JFIVMFNVXWUYGJ-UHFFFAOYSA-N",371303,NA,"PDBC09506","645377","Present",NA,NA
+"9507","1-Chloro-4-((2-((10-((2-((4-chlorophenyl)thio)ethyl)thio)decyl)thio)ethyl)thio)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-4-((2-((10-((2-((4-chlorophenyl)thio)ethyl)thio)decyl)thio)ethyl)thio)benzene",NA,"C1=CC(=CC=C1SCCSCCCCCCCCCCSCCSC2=CC=C(C=C2)Cl)Cl","QPZNMPKRDPWETA-UHFFFAOYSA-N",371313,NA,"PDBC09507","645387","Present",NA,NA
+"9508","1-Chloro-4-(2-((10-((2-(4-chlorophenoxy)ethyl)thio)decyl)thio)ethoxy)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-4-(2-((10-((2-(4-chlorophenoxy)ethyl)thio)decyl)thio)ethoxy)benzene",NA,"C1=CC(=CC=C1OCCSCCCCCCCCCCSCCOC2=CC=C(C=C2)Cl)Cl","CRBKGACYQDNBLG-UHFFFAOYSA-N",371308,NA,"PDBC09508","645382","Present",NA,NA
+"9509","1-Chloro-4-(trichloromethylsulfonyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichloromethyl(4-chlorophenyl) sulfone",NA,"C1=CC(=CC=C1S(=O)(=O)C(Cl)(Cl)Cl)Cl","PJNHKVGTQYJHKQ-UHFFFAOYSA-N",228635,NA,"PDBC09509","21715","Present",NA,NA
+"9510","1-Chloro-4-[4-[2,2-difluoro-1-(trifluoromethyl)vinyl]phenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-4-[4-[2,2-difluoro-1-(trifluoromethyl)vinyl]phenyl]benzene",NA,"C1=CC(=CC=C1C2=CC=C(C=C2)Cl)C(=C(F)F)C(F)(F)F","LFSYQUUNMYJBLK-UHFFFAOYSA-N",387085,NA,"PDBC09510","680477","Present",NA,NA
+"9511","1-Chloro-4-methyl-6-nitro-thioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-4-methyl-6-nitro-thioxanthen-9-one",NA,"CC1=C2C(=C(C=C1)Cl)C(=O)C3=C(S2)C=C(C=C3)[N+](=O)[O-]","MAAFWJAFQPGVAD-UHFFFAOYSA-N",391248,NA,"PDBC09511","690145","Present",NA,NA
+"9512","1-Chloro-4-{[(4-nitrobenzyl)sulfanyl]methyl}benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-4-{[(4-nitrobenzyl)sulfanyl]methyl}benzene",NA,"C1=CC(=CC=C1CSCC2=CC=C(C=C2)Cl)[N+](=O)[O-]","ZARZEUSENWTEGY-UHFFFAOYSA-N",271112,NA,"PDBC09512","114528","Present",NA,NA
+"9513","1-Chloro-5-methyl-indenopyrrol[2,3-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-5-methyl-indenopyrrol[2,3-d]pyridazine",NA,"CN1C2=CN=NC(=C2C3=C1C4=CC=CC=C4C3)Cl","PSLSGYWESPNLET-UHFFFAOYSA-N",405931,NA,"PDBC09513","723675","Present",NA,NA
+"9514","1-Chloro-7-methoxy-4-nitro-10H-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-7-methoxy-4-nitro-9(10H)acridone",NA,"COC1=CC2=C(C=C1)NC3=C(C=CC(=C3C2=O)Cl)[N+](=O)[O-]","WUQQKUISNKRKFK-UHFFFAOYSA-N",438231,NA,"PDBC09514","627169","Present",NA,NA
+"9515","1-Chloro-7-methyl-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-7-methyl-phenothiazone",NA,"CC1=CC2=C(C=C1)N=C3C(=CC(=O)C=C3Cl)S2","GCJIMLPITVEZGE-UHFFFAOYSA-N",369385,NA,"PDBC09515","641149","Present",NA,NA
+"9516","1-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)Cl)C","SUFOQDSJJKRXLY-UHFFFAOYSA-N",365401,NA,"PDBC09516","633021","Present",NA,NA
+"9517","1-Chloro-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)Cl)C","GUCDEDOURGCGRO-UHFFFAOYSA-N",365422,NA,"PDBC09517","633042","Present",NA,NA
+"9518","1-Chloroethanone O-[(4-methylphenylamino)carbonyl]oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672039",NA,"CC1=CC=C(C=C1)NC(=O)ON=C(C)Cl","NRJKJMFPUGFIKJ-MDWZMJQESA-N",5466015,NA,"PDBC09518","672039","Present",NA,NA
+"9519","1-Cinnamoylpiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-cinnamoylpiperidine",NA,"C1CCN(CC1)C(=O)C=CC2=CC=CC=C2","KNOXUMZPTHELAO-MDZDMXLPSA-N",764160,NA,"PDBC09519","10411","Present",NA,NA
+"9520","1-Cuban-1-yl-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cuban-1-yl-1,2,4-triazole",NA,"C1=NN(C=N1)C23C4C5C2C6C5C4C36","RRNLBIYRVBRAKL-UHFFFAOYSA-N",383856,NA,"PDBC09520","672598","Present",NA,NA
+"9521","1-Cuban-1-ylimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cuban-1-ylimidazole",NA,"C1=CN(C=N1)C23C4C5C2C6C5C4C36","KFEMNBRDYUWMCE-UHFFFAOYSA-N",383853,NA,"PDBC09521","672595","Present",NA,NA
+"9522","1-Cuban-1-ylpyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cuban-1-ylpyrazole",NA,"C1=CN(N=C1)C23C4C5C2C6C5C4C36","MPHFOXPZIDRBGV-UHFFFAOYSA-N",383858,NA,"PDBC09522","672600","Present",NA,NA
+"9523","1-Cyano-2,3,7-triaza-bicyclo[3.3.0]oct-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyano-2,3,7-triaza-bicyclo[3.3.0]oct-2-ene",NA,"C1C2CN=NC2(CN1)C#N","QHGMOEAFLAPJQX-UHFFFAOYSA-N",386770,NA,"PDBC09523","679449","Present",NA,NA
+"9524","1-Cyano-2-(2-hydroxyethyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyano-N'-(2-hydroxyethyl)guanidine",NA,"C(CO)N=C(N)NC#N","IIXXKZSXDZZOBL-UHFFFAOYSA-N",370389,NA,"PDBC09524","643483","Present",NA,NA
+"9525","1-Cyano-2-(propan-2-yloxymethyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643471",NA,"CC(C)OCN=C(N)NC#N","HXAVXAJXDCCQRS-UHFFFAOYSA-N",5465264,NA,"PDBC09525","643471","Present",NA,NA
+"9526","1-Cyano-2-propylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A311",NA,"CCCN=C(N)NC#N","QIGXZTUCWRZELB-UHFFFAOYSA-N",370386,NA,"PDBC09526","643480","Present",NA,NA
+"9527","1-Cyano-3-(1-diethoxyphosphoryl-1-methyl-propyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyano-3-(1-diethoxyphosphoryl-1-methyl-propyl)guanidine",NA,"CCC(C)(N=C(N)NC#N)P(=O)(OCC)OCC","VHCXTAABHIDZBZ-UHFFFAOYSA-N",9571477,NA,"PDBC09527","670094","Present",NA,NA
+"9528","1-Cyano-3-(1-methylethyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5DW6SBV5M9",NA,"CC(C)N=C(N)NC#N","SRUGWSFEPMKUAK-UHFFFAOYSA-N",370391,NA,"PDBC09528","643485","Present",NA,NA
+"9529","1-Cyano-3-[[(N-cyanocarbamimidoyl)amino]methyl]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyano-3-[[(N-cyanocarbamimidoyl)amino]methyl]guanidine",NA,"C(N=C(N)NC#N)N=C(N)NC#N","QFDNSPMISJTMAO-UHFFFAOYSA-N",9571329,NA,"PDBC09529","643474","Present",NA,NA
+"9530","1-Cyano-7-allyl-2,7-triazabicyclo[3.3.0]oct-2-ene hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyano-7-allyl-2,3,7-triazabicyclo[3.3.0]oct-2-ene hydr...",NA,"C=CCN1CC2CN=NC2(C1)C#N.Br","QABJAGRESOOBJN-UHFFFAOYSA-N",386771,NA,"PDBC09530","679450","Present",NA,NA
+"9531","1-Cyano-N-(3,4-dichlorophenyl)methanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000540",NA,"C1=CC(=C(C=C1NC(=S)C#N)Cl)Cl","XEAWQNNNRNFJJT-UHFFFAOYSA-N",3812779,NA,"PDBC09531","379531","Present",NA,NA
+"9532","1-Cyano-N-(4-fluorophenyl)methanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_002930",NA,"C1=CC(=CC=C1NC(=S)C#N)F","BRBRUGYQTAGYPY-UHFFFAOYSA-N",2725906,NA,"PDBC09532","369317","Present",NA,NA
+"9533","1-Cyclododecyl-1h-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclododecyl-1h-pyrrole-2,5-dione",NA,"C1CCCCCC(CCCCC1)N2C(=O)C=CC2=O","MHEFNZSCICKHDS-UHFFFAOYSA-N",282944,NA,"PDBC09533","137055","Present",NA,NA
+"9534","1-Cyclohexanol,5-bis(4-methylphenyl)-1-(2-pyridinyl)-2,4-bis[(2-pyridinyl)carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexanol, 3,5-bis(4-methylphenyl)- 1-(2-pyridinyl)...",NA,"CC1=CC=C(C=C1)C2CC(C(C(C2C(=O)C3=CC=CC=N3)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=N5)(C6=CC=CC=N6)O","CAPDECHEGWJVHC-ZABQXUKZSA-N",397598,NA,"PDBC09534","705939","Present",NA,NA
+"9535","1-Cyclohexyl-2-(cyclohexylimino)-3-phenyl-5-(phenylimino)-4-imidazolidinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-2-(cyclohexylimino)-3-phenyl-5-(phenylimino)-4-imidazolidinethione",NA,"C1CCC(CC1)N=C2N(C(=NC3=CC=CC=C3)C(=S)N2C4=CC=CC=C4)C5CCCCC5","MNMLCBGBFTUNHW-UHFFFAOYSA-N",383289,NA,"PDBC09535","671402","Present",NA,NA
+"9536","1-Cyclohexyl-3,7-dihydropurine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3,7-dihydropurine-2,6-dione",NA,"C1CCC(CC1)N2C(=O)C3=C(NC2=O)N=CN3","SOLCMMIACKJYNI-UHFFFAOYSA-N",391124,NA,"PDBC09536","689742","Present",NA,NA
+"9537","1-Cyclohexyl-3-(2-(4-morpholinyl)ethyl)carbodiimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cmec",NA,"C1CCC(CC1)N=C=NCCN2CCOCC2","XNPOFXIBHOVFFH-UHFFFAOYSA-N",84998,NA,"PDBC09537","163986","Present",NA,NA
+"9538","1-Cyclohexyl-3-[(7-methyl-4-oxo-1H-1,8-naphthyridine-3-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[(7-methyl-4-oxo-1H-1,8-naphthyridine-3-carbonyl)amino]thiourea",NA,"CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)NNC(=S)NC3CCCCC3","RUALMECKZQXYHX-UHFFFAOYSA-N",5470961,NA,"PDBC09538","706820","Present",NA,NA
+"9539","1-Cyclohexyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,"CC1=NC(=CC=C1)C=NNC(=S)NC2CCCCC2","UGJAURNWOLHLMV-XNTDXEJSSA-N",9571907,NA,"PDBC09539","670782","Present",NA,NA
+"9540","1-Cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]thiourea",NA,"C1CCC(CC1)NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","QRVOKRYDDPQVGY-RELWKKBWSA-N",5871897,NA,"PDBC09540","689540","Present",NA,NA
+"9541","1-Cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]urea",NA,"C1CCC(CC1)NC(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","KCJGZAKCBNMUIK-RELWKKBWSA-N",6179448,NA,"PDBC09541","689539","Present",NA,NA
+"9542","1-Cyclohexyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[(Z)-(2,4-dioxo-1H-quinolin-3-ylidene)methyl]thiourea",NA,"C1CCC(CC1)NC(=S)N=CC2=C(C3=CC=CC=C3NC2=O)O","HJKCZAMCJBOXIR-VCHYOVAHSA-N",135409079,NA,"PDBC09542","657595","Present",NA,NA
+"9543","1-Cyclohexyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]urea",NA,"C1CCC(CC1)NC(=O)N=CC2=C(C3=CC=CC=C3OC2=O)O","LLUAAMMGLQMAEZ-VCHYOVAHSA-N",135409040,NA,"PDBC09543","655965","Present",NA,NA
+"9544","1-Cyclohexyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea",NA,"C1CCC(CC1)NC(=S)N=NC2=C(N(C3=C2C=C(C=C3)[N+](=O)[O-])CN4CCOCC4)O","IYAWXWZNWMCOFC-UHFFFAOYSA-N",135426764,NA,"PDBC09544","716769","Present",NA,NA
+"9545","1-Cyclohexyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea",NA,"C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(=C4CC5=CC=CC=C5C4=N3)C6=CC=CS6","XLUBDOGELRJOOC-UHFFFAOYSA-N",24204749,NA,"PDBC09545","732730","Present",NA,NA
+"9546","1-Cyclohexyl-3-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]thiourea",NA,"CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)NC(=S)NC4CCCCC4","UKZMJWGIRWFLGM-UHFFFAOYSA-N",5470589,NA,"PDBC09546","703136","Present",NA,NA
+"9547","1-Cyclohexyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[4-[(cyclohexylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,"C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=S)NC3CCCCC3","ZDIZCNVVSWLBPD-UHFFFAOYSA-N",3005199,NA,"PDBC09547","681629","Present",NA,NA
+"9548","1-Cyclohexyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[4-[(ethylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,"CCNC(=S)NNC(=O)C1=CSC(=N1)NC(=S)NC2CCCCC2","IHSODJFLMAGOIR-UHFFFAOYSA-N",3005198,NA,"PDBC09548","681628","Present",NA,NA
+"9549","1-Cyclohexyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[4-[(phenylcarbamothioylamino)carbamoyl]thiazol-2-yl]thiourea",NA,"C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=S)NC3=CC=CC=C3","ICIOLENURHFNRO-UHFFFAOYSA-N",3005201,NA,"PDBC09549","681631","Present",NA,NA
+"9550","1-Cyclohexyl-3-[4-[3-(4-methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[4-[3-(4-methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea",NA,"CC1=CC=C(C=C1)C2C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6CCCCC6","YVNGBACONKSVJM-UHFFFAOYSA-N",24204760,NA,"PDBC09550","732742","Present",NA,NA
+"9551","1-Cyclohexyl-3-[4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[4-[3-(4-methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonylurea",NA,"CC1=CC=C(C=C1)C2=C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6CCCCC6","UYMZRFBLNKXCJY-UHFFFAOYSA-N",24204770,NA,"PDBC09551","732752","Present",NA,NA
+"9552","1-Cyclohexyl-4-(2-phenylhydrazino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-4-(2-phenylhydrazino)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,"C1CCC(CC1)N2C3=C(C(=NNC3=O)NNC4=CC=CC=C4)N=N2","PJZMKRGAKUSSBV-UHFFFAOYSA-N",386617,NA,"PDBC09552","679071","Present",NA,NA
+"9553","1-Cyclohexyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-4-(4-methyl-1-piperazinyl)-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,"CN1CCN(CC1)C2=NNC(=O)C3=C2N=NN3C4CCCCC4","CBKVJEDOWJQSFM-UHFFFAOYSA-N",386620,NA,"PDBC09553","679074","Present",NA,NA
+"9554","1-Cyclohexyl-5-hydroxy-triazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-5-oxo-2H-triazole-4-carbonitrile",NA,"C1CCC(CC1)N2C(=O)C(=NN2)C#N","XATZZTADHHQSBC-UHFFFAOYSA-N",388859,NA,"PDBC09554","684053","Present",NA,NA
+"9555","1-Cyclohexyl-N-methyl-5-sulfanyl-triazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-N-methyl-5-sulfanyl-triazole-4-carboxamide",NA,"CNC(=O)C1=NNN(C1=S)C2CCCCC2","DQFFMRIBBIEBFE-UHFFFAOYSA-N",3005250,NA,"PDBC09555","686651","Present",NA,NA
+"9556","1-Cyclooctyl-1H-indene; iridium; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclooctyl-1H-indene; iridium; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC09556","625571","Present",NA,NA
+"9557","1-Cyclopropyl-2-(2-methoxyphenyl)quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclopropyl-2-(2-methoxyphenyl)quinolin-4(1h)-one",NA,"COC1=CC=CC=C1C2=CC(=O)C3=CC=CC=C3N2C4CC4","CHZBNGCXOVADFT-UHFFFAOYSA-N",404619,NA,"PDBC09557","721047","Present",NA,NA
+"9558","1-Cyclopropyl-2-(4-hydroxyphenyl)quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclopropyl-2-(4-hydroxyphenyl)quinolin-4(1h)-one",NA,"C1CC1N2C3=CC=CC=C3C(=O)C=C2C4=CC=C(C=C4)O","SJLOFCAANZHMOX-UHFFFAOYSA-N",404618,NA,"PDBC09558","721046","Present",NA,NA
+"9559","1-Cyclopropyl-2-diethoxyphosphorylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-cyclopropyl-2-oxoethylphosphonate",NA,"CCOP(=O)(CC(=O)C1CC1)OCC","MEOUMIDMNOIQIQ-UHFFFAOYSA-N",380811,NA,"PDBC09559","666531","Present",NA,NA
+"9560","1-Cyclopropyl-3-[4-[4-(cyclopropylcarbamoylamino)-3-methoxyphenyl]-2-methoxyphenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-(3,3'-dimethoxybiphenyl-4,4'-diyl)bis(3-cyclopropyl...",NA,"COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC(=O)NC3CC3)OC)NC(=O)NC4CC4","XGOGMONLNQBDKN-UHFFFAOYSA-N",334739,NA,"PDBC09560","341196","Present",NA,NA
+"9561","1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[(4-phenyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-phenylthiazol-2-yl...",NA,"C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NC5=NC(=CS5)C6=CC=CC=C6)F)C(=O)O","QNQRPDOWTOJQAL-UHFFFAOYSA-N",155815344,NA,"PDBC09561","783681","Present",NA,NA
+"9562","1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[2-oxo-2-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]anilino]ethyl]piperazin-1-yl]quinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclopropyl-6-fluoro-4-oxo-7-[4-({4-[3-(3,4,5-trimetho...",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC(=O)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","KIEMZWYZHOUAKS-NYYWCZLTSA-N",73349440,NA,"PDBC09562","764906","Present",NA,NA
+"9563","1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[2-oxo-2-[4-[(E)-3-phenylprop-2-enoyl]anilino]ethyl]piperazin-1-yl]quinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclopropyl-6-fluoro-4-oxo-7-(4-{[4-(3-phenyl-acryloyl...",NA,"C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(=O)NC5=CC=C(C=C5)C(=O)C=CC6=CC=CC=C6)F)C(=O)O","CISWBUKGCQINLS-AWNIVKPZSA-N",73357038,NA,"PDBC09563","764903","Present",NA,NA
+"9564","1-Cyclopropyl-6-fluoro-4-oxo-7-[4-[phenyl-(4-phenyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]quinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-(N-phenyl-N-(4-phenylthiazol-2-yl)carbamoyl)piperaz...",NA,"C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)N(C5=CC=CC=C5)C6=NC(=CS6)C7=CC=CC=C7)F)C(=O)O","NWACKDXMZYWPNJ-UHFFFAOYSA-N",155805699,NA,"PDBC09564","797014","Present",NA,NA
+"9565","1-Cyclopropyl-6-fluoro-7-[4-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-cyclopropyl-6-fluoro-4-oxo-7-(4-(2-oxo-2-((4-(p-tolyl)...",NA,"CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","GLSUFJNLOUOCJO-UHFFFAOYSA-N",155807009,NA,"PDBC09565","784082","Present",NA,NA
+"9566","1-Cyclopropyl-6-fluoro-7-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-phenylcarbamoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-(N-(4-(4-methoxyphenyl)thiazol-2-yl)-N-phenylcarbam...",NA,"COC1=CC=C(C=C1)C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)C7CC7)F","ICCYSSJOBJINAJ-UHFFFAOYSA-N",155814930,NA,"PDBC09566","797017","Present",NA,NA
+"9567","1-Cyclopropyl-6-fluoro-7-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-cyclopropyl-6-fluoro-7-(4-((4-(4-methoxyphenyl)thiazol...",NA,"COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","ZFMVDELCCYOQOS-UHFFFAOYSA-N",155814941,NA,"PDBC09567","783683","Present",NA,NA
+"9568","1-Cyclopropyl-6-fluoro-7-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]-phenylcarbamoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-(N-phenyl-N-(4-p-tolylthiazol-2-yl)carbamoyl)pipera...",NA,"CC1=CC=C(C=C1)C2=CSC(=N2)N(C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=C(C=C6C(=C5)N(C=C(C6=O)C(=O)O)C7CC7)F","AYAIZPXXZQPXAI-UHFFFAOYSA-N",155808788,NA,"PDBC09568","797016","Present",NA,NA
+"9569","1-Cyclopropyl-6-fluoro-7-[4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-cyclopropyl-6-fluoro-4-oxo-7-(4-((4-(p-tolyl)thiazol-2...",NA,"CC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","PMLSVERAMZAKCS-UHFFFAOYSA-N",155810298,NA,"PDBC09569","784085","Present",NA,NA
+"9570","1-Cyclopropyl-7,8-dimethoxy-3-methyl-4,5-dihydro-1H-2,3-benzoxazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclopropyl-7,8-dimethoxy-3-methyl-4,5-dihydro-1H-2,3-benzoxazepine",NA,"CN1CCC2=CC(=C(C=C2C(O1)C3CC3)OC)OC","YMUVNYBVMNPMIL-UHFFFAOYSA-N",383923,NA,"PDBC09570","672879","Present",NA,NA
+"9571","1-Cyclopropyl-7-[4-[ethenyl-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-(N-(4-(4-methoxyphenyl)thiazol-2-yl)-N-vinylcarbamo...",NA,"COC1=CC=C(C=C1)C2=CSC(=N2)N(C=C)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","ZEXMETYIEDQPLY-UHFFFAOYSA-N",155817229,NA,"PDBC09571","803324","Present",NA,NA
+"9572","1-Cyclopropyl-7-[4-[ethenyl-[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-(N-(4-p-tolylthiazol-2-yl)-N-vinylcarbamoyl)piperaz...",NA,"CC1=CC=C(C=C1)C2=CSC(=N2)N(C=C)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","ZFOZSSWLXODTHG-UHFFFAOYSA-N",155814218,NA,"PDBC09572","803323","Present",NA,NA
+"9573","1-Cyclopropyl-7-[4-[ethyl-(4-phenyl-1,3-thiazol-2-yl)carbamoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-(N-ethyl-N-(4-phenylthiazol-2-yl)carbamoyl)piperazi...",NA,"CCN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","CPVCSPNQIZVJMY-UHFFFAOYSA-N",155816852,NA,"PDBC09573","797010","Present",NA,NA
+"9574","1-Cyclopropyl-7-[4-[ethyl-[4-(4-methylphenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-6-fluoro-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-(N-ethyl-N-(4-p-tolylthiazol-2-yl)carbamoyl)piperaz...",NA,"CCN(C1=NC(=CS1)C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","RFIIUOFJCQYJPL-UHFFFAOYSA-N",155807033,NA,"PDBC09574","797012","Present",NA,NA
+"9575","1-Decyl-2-[(E)-2-[4-[(E)-2-(1-decylpyrrol-2-yl)vinyl]phenyl]vinyl]pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Decyl-2-[(E)-2-[4-[(E)-2-(1-decylpyrrol-2-yl)vinyl]phenyl]vinyl]pyrrole",NA,"CCCCCCCCCCN1C=CC=C1C=CC2=CC=C(C=C2)C=CC3=CC=CN3CCCCCCCCCC","HZKBJPQYZIPFAV-QAVVBOBSSA-N",5871730,NA,"PDBC09575","627865","Present",NA,NA
+"9576","1-Decyl-3-methylimidazolium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Decyl-3-methylimidazolium chloride",NA,"CCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]","HTZVLLVRJHAJJF-UHFFFAOYSA-M",2734225,NA,"PDBC09576","747267","Present",NA,NA
+"9577","1-Decyl-3-methylimidazolium tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Decyl-3-methylimidazolium tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC09577","747268","Present",NA,NA
+"9578","1-Deoxymannojirimycin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Deoxymannojirimycin hydrochloride",NA,"C1C(C(C(C(N1)CO)O)O)O.Cl","ZJIHMALTJRDNQI-AORFWEALSA-N",361795,NA,"PDBC09578","625109","Present",NA,NA
+"9579","1-Deoxynojirimycin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Galactitol, 1,5-dideoxy-1,5-imino",NA,"C1C(C(C(C(N1)CO)O)O)O.Cl","ZJIHMALTJRDNQI-UHFFFAOYSA-N",377339,NA,"PDBC09579","658776","Present",NA,NA
+"9580","1-Di(propan-2-yloxy)phosphoryl-N'-[2-[[di(propan-2-yloxy)phosphoryl-[2-(2-nitrophenyl)hydrazinyl]methylidene]amino]ethyl]-N-(2-nitroanilino)methanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Di(propan-2-yloxy)phosphoryl-N'-[2-[[di(propan-2-yloxy)phosphoryl-[2-(2-nitrophenyl)hydrazinyl]methylidene]amino]ethyl]-N-(2-nitroanilino)methanimidamide",NA,"CC(C)OP(=O)(C(=NCCN=C(NNC1=CC=CC=C1[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)NNC2=CC=CC=C2[N+](=O)[O-])OC(C)C","GBJBLGMDIJTXBG-UHFFFAOYSA-N",3753275,NA,"PDBC09580","652150","Present",NA,NA
+"9581","1-Di(propan-2-yloxy)phosphoryl-N'-[4-[[di(propan-2-yloxy)phosphoryl-[2-(4-nitrophenyl)hydrazinyl]methylidene]amino]phenyl]-N-(4-nitroanilino)methanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Di(propan-2-yloxy)phosphoryl-N'-[4-[[di(propan-2-yloxy)phosphoryl-[2-(4-nitrophenyl)hydrazinyl]methylidene]amino]phenyl]-N-(4-nitroanilino)methanimidamide",NA,"CC(C)OP(=O)(C(=NC1=CC=C(C=C1)N=C(NNC2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)NNC3=CC=C(C=C3)[N+](=O)[O-])OC(C)C","PSMXAXDCBZSGFU-UHFFFAOYSA-N",3838849,NA,"PDBC09581","652151","Present",NA,NA
+"9582","1-Diazo-N,N-dimethylmethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Diazo-N,N-dimethylmethanamine",NA,"CN(C)C=[N+]=[N-]","MMJYLJKGUBUPHI-UHFFFAOYSA-N",358305,NA,"PDBC09582","618267","Present",NA,NA
+"9583","1-Dibenzofuran-3-yl-2-piperidin-2-ylethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC90630",NA,"C1CCNC(C1)CC(C2=CC3=C(C=C2)C4=CC=CC=C4O3)O.Cl","INWLZHAFOKWTEP-UHFFFAOYSA-N",54602473,NA,"PDBC09583","90630","Present",NA,NA
+"9584","1-Diethoxyphosphoryl-2-(3,4-dimethoxyphenyl)ethanamine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669580",NA,"CCOP(=O)(C(CC1=CC(=C(C=C1)OC)OC)N)OCC.C(=O)(C(=O)O)O","HMHYQTSVCWGRQX-UHFFFAOYSA-N",382134,NA,"PDBC09584","669580","Present",NA,NA
+"9585","1-Diisopropoxyphosphoryl-N'-ethyl-N-(4-nitroanilino)formamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Diisopropoxyphosphoryl-N'-ethyl-N-(4-nitroanilino)formamidine",NA,"CCN=C(NNC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C","WWFSAEPFJADFMY-UHFFFAOYSA-N",3696505,NA,"PDBC09585","652140","Present",NA,NA
+"9586","1-Diisopropoxyphosphoryl-N-(4-nitroanilino)formamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK528672",NA,"CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])N)OC(C)C","KLZIGZPOZJXGHZ-UHFFFAOYSA-N",9555948,NA,"PDBC09586","652138","Present",NA,NA
+"9587","1-Diisopropoxyphosphoryl-N-[2-[(E)-[diisopropoxyphosphoryl-[2-(4-nitrophenyl)hydrazino]methylene]amino]ethyl]-N'-(4-nitroanilino)formamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Di(propan-2-yloxy)phosphoryl-N'-[2-[[di(propan-2-yloxy)phosphoryl-[2-(4-nitrophenyl)hydrazinyl]methylidene]amino]ethyl]-N-(4-nitroanilino)methanimidamide",NA,"CC(C)OP(=O)(C(=NCCN=C(NNC1=CC=C(C=C1)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)NNC2=CC=C(C=C2)[N+](=O)[O-])OC(C)C","UUCVCDGQOYSCGU-UHFFFAOYSA-N",3303944,NA,"PDBC09587","652149","Present",NA,NA
+"9588","1-Dimethoxyphosphoryl-2-(1H-indol-3-yl)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Dimethoxyphosphoryl-2-(1H-indol-3-yl)ethanamine",NA,"COP(=O)(C(CC1=CNC2=CC=CC=C21)N)OC","JWIPRQFWGXJFFN-UHFFFAOYSA-N",382173,NA,"PDBC09588","669632","Present",NA,NA
+"9589","1-Dimethoxyphosphoryl-3-methoxypropan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Dimethoxyphosphoryl-3-methoxypropan-2-one",NA,"COCC(=O)CP(=O)(OC)OC","SMGURJQPNXWSTL-UHFFFAOYSA-N",359298,NA,"PDBC09589","620045","Present",NA,NA
+"9590","1-Dimethoxyphosphoryl-3-methylbutan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Dimethoxyphosphoryl-3-methyl-butan-1-ol",NA,"CC(C)CC(O)P(=O)(OC)OC","FTUKQBLLYLQTDG-UHFFFAOYSA-N",397394,NA,"PDBC09590","705135","Present",NA,NA
+"9591","1-Dimethoxyphosphoryl-3-methylsulfanylpropan-1-amine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669692",NA,"COP(=O)(C(CCSC)N)OC.C(=O)(C(=O)O)O","TUIIBEYEGWYYJF-UHFFFAOYSA-N",382238,NA,"PDBC09591","669692","Present",NA,NA
+"9592","1-Dimethoxyphosphoryl-7-methoxyheptan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RADNLYZNRNNWSG-UHFFFAOYSA-N",NA,"COCCCCCC(=O)CP(=O)(OC)OC","RADNLYZNRNNWSG-UHFFFAOYSA-N",357802,NA,"PDBC09592","617330","Present",NA,NA
+"9593","1-Dimethoxyphosphorylhexadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KCGQAMHRYDCPDN-UHFFFAOYSA-N",NA,"CCCCCCCCCCCCCCCCP(=O)(OC)OC","KCGQAMHRYDCPDN-UHFFFAOYSA-N",362904,NA,"PDBC09593","627379","Present",NA,NA
+"9594","1-Dimethoxyphosphorylhexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Dimethoxyphosphorylhexane",NA,"CCCCCCP(=O)(OC)OC","IUZXGJKDSGEWCQ-UHFFFAOYSA-N",362902,NA,"PDBC09594","627377","Present",NA,NA
+"9595","1-Dimethoxyphosphoryltridecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Dimethoxyphosphoryltridecane",NA,"CCCCCCCCCCCCCP(=O)(OC)OC","NAZJVRRWZYFXND-UHFFFAOYSA-N",362903,NA,"PDBC09595","627378","Present",NA,NA
+"9596","1-Dimethylamino-3-naphthalen-1-yl-imidazolidine-2,4,5-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Dimethylamino-3-naphthalen-1-yl-imidazolidine-2,4,5-trione",NA,"CN(C)N1C(=O)C(=O)N(C1=O)C2=CC=CC3=CC=CC=C32","IITQIBZXVKLRSK-UHFFFAOYSA-N",379234,NA,"PDBC09596","663648","Present",NA,NA
+"9597","1-Dimethylamino-cyclopropanecarboxylic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677916",NA,"CN(C)C1(CC1)C(=O)O.Cl","BJKXIXAVBVXJDW-UHFFFAOYSA-N",386198,NA,"PDBC09597","677916","Present",NA,NA
+"9598","1-Dimethylaminomethyl2-hydroxy-5-(4-methoxy-phenyl)-11,6]cyclohepta[1,2-b]indol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Dimethylaminomethyl2-hydroxy-5-(4-methoxy-phenyl)-11,1...",NA,"CC1=CC2=C(C3=C(N2C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5CC3)C(=C1O)CN(C)C","VAUVZWHHGDLDKS-UHFFFAOYSA-N",24205420,NA,"PDBC09598","735470","Present",NA,NA
+"9599","1-Dimethylaminomethylen-2-hydroxy-5-p-tolyl-11,6]cyclohepta[1,2-b]indol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-dimethylaminomethylen-2-hydroxy-5-p-tolyl-11,12-dihydr...",NA,"CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN(C)C","ACYYOWCBFNMXMX-UHFFFAOYSA-N",24205418,NA,"PDBC09599","735468","Present",NA,NA
+"9600","1-Dodecyl-2-methylbenzimidazole hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzimidazole, 1-dodecyl-2-methyl-, hydrobromide",NA,"CCCCCCCCCCCCN1C(=NC2=CC=CC=C21)C.Br","CKBXLKPOHHDMRJ-UHFFFAOYSA-N",3027338,NA,"PDBC09600","10018","Present",NA,NA
+"9601","1-Dodecyl-4-methyl-1,4-diazoniabicyclo[2.2.2]octane;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Dodecyl-4-methyl-1,4-diazoniabicyclo[2.2.2]octane;iodide",NA,"CCCCCCCCCCCC[N+]12CC[N+](CC1)(CC2)C.[I-]","TYIXLSIUPARBPD-UHFFFAOYSA-M",373080,NA,"PDBC09601","649000","Present",NA,NA
+"9602","1-Dodecyl-4-nonylpyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-DODECYL-4-NONYLPYRIDINIUM CHLORIDE",NA,"CCCCCCCCCCCC[N+]1=CC=C(C=C1)CCCCCCCCC.[Cl-]","LPAFDDIIVPMWRB-UHFFFAOYSA-M",24180869,NA,"PDBC09602","2012","Present",NA,NA
+"9603","1-Dodecylpyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-Laurylpyridinium chloride",NA,"CCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]","GKQHIYSTBXDYNQ-UHFFFAOYSA-M",7717,NA,"PDBC09603","35027","Present",NA,NA
+"9604","1-Dodecyltridecyl dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Dodecyltridecyl dihydrogen phosphate",NA,"CCCCCCCCCCCCC(CCCCCCCCCCCC)OP(=O)(O)O","XTIFCHVMYQHMGD-UHFFFAOYSA-N",361964,NA,"PDBC09604","625449","Present",NA,NA
+"9605","1-Ethenyl-2-phenoxy-3-phenyl-1,3,2lambda5-diazaphospholidine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethenyl-2-phenoxy-3-phenyl-1,3,2-diazaphospholidine 2-oxide",NA,"C=CN1CCN(P1(=O)OC2=CC=CC=C2)C3=CC=CC=C3","JXXAMGMQTICQRW-UHFFFAOYSA-N",382334,NA,"PDBC09605","669803","Present",NA,NA
+"9606","1-Ethoxy-2,2,2-trifluoroethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluoral ethyl hemiacetal",NA,"CCOC(C(F)(F)F)O","KLXJPQNHFFMLIG-UHFFFAOYSA-N",9897,NA,"PDBC09606","65431","Present",NA,NA
+"9607","1-Ethoxy-4-[(E)-2-nitroethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC57187",NA,"CCOC1=CC=C(C=C1)C=C[N+](=O)[O-]","LCRQRRBRHHLEHO-BQYQJAHWSA-N",762460,NA,"PDBC09607","57187","Present",NA,NA
+"9608","1-Ethoxy-5-fluoro-2,4-dinitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethoxy-5-fluoro-2,4-dinitrobenzene",NA,"CCOC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])F","HPPIQFLOPHCFBP-UHFFFAOYSA-N",227098,NA,"PDBC09608","18286","Present",NA,NA
+"9609","1-Ethoxy-5-methoxy-6-methylpyrido[3,2-a]phenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethoxy-5-methoxy-6-methylpyrido[3,2-a]phenazine",NA,"CCOC1=C2C(=NC=C1)C(=C(C3=NC4=CC=CC=C4N=C23)C)OC","JBUYZPDZOKNNRL-UHFFFAOYSA-N",389067,NA,"PDBC09609","684706","Present",NA,NA
+"9610","1-Ethoxycarbonyl-4-thioformylpiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethoxycarbonyl-4-thioformylpiperazine",NA,"CCOC(=O)N1CCN(CC1)C=S","QEVGWJCAQIAJRV-UHFFFAOYSA-N",367805,NA,"PDBC09610","637830","Present",NA,NA
+"9611","1-Ethyl 2,3-dimethyl 4-(2,6-dimethylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl 2,3-dimethyl 4-(2,6-dimethylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate",NA,"CCOC(=O)C12CCC(O1)(C(=C2C(=O)OC)C(=O)OC)C3=C(C=CC=C3C)C","GLFYMSNFJDGJGI-UHFFFAOYSA-N",379156,NA,"PDBC09611","663570","Present",NA,NA
+"9612","1-Ethyl 3-methyl 1-methyl-2-oxo-1,3-cyclopentanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl 3-methyl 1-methyl-2-oxo-1,3-cyclopentanedicarboxylate",NA,"CCOC(=O)C1(CCC(C1=O)C(=O)OC)C","LRTDKNBZCCSIPN-UHFFFAOYSA-N",371741,NA,"PDBC09612","646184","Present",NA,NA
+"9613","1-Ethyl 4,4-dimethyl 2-methyl-5-thioxo-1H-imidazole-1,4,4(5H)-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl 4,4-dimethyl 2-methyl-5-thioxo-1H-imidazole-1,4,4(5H)-tricarboxylate",NA,"CCOC(=O)N1C(=NC(C1=S)(C(=O)OC)C(=O)OC)C","WSFVJIFKCKSURM-UHFFFAOYSA-N",395882,NA,"PDBC09613","700977","Present",NA,NA
+"9614","1-Ethyl 4,5-dimethyl 7-(3-methoxy-1-(methoxycarbonyl)-3-oxo-1-propenyl)-1H-indole-1,4,5-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Ethyl 4-O,5-O-dimethyl 7-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]indole-1,4,5-tricarboxylate",NA,"CCOC(=O)N1C=CC2=C(C(=CC(=C21)C(=CC(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC","PDDHSLMNTPSNMD-RAXLEYEMSA-N",5468494,NA,"PDBC09614","670943","Present",NA,NA
+"9615","1-Ethyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl 5-methyl 3-(((benzyloxy)carbonyl)amino)-2-(2-methyl-1,3-dioxolan-2-yl)pentanedioate",NA,"CCOC(=O)C(C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1)C2(OCCO2)C","LKANZAOXJOREPI-UHFFFAOYSA-N",373014,NA,"PDBC09615","648841","Present",NA,NA
+"9616","1-Ethyl 6,7-dimethyl 2-oxo-8-oxabicyclo[3.2.1]oct-6-ene-1,6,7-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl 6,7-dimethyl 2-oxo-8-oxabicyclo[3.2.1]oct-6-ene-1,6,7-tricarboxylate",NA,"CCOC(=O)C12C(=O)CCC(O1)C(=C2C(=O)OC)C(=O)OC","AFWVZHOQIQXMOG-UHFFFAOYSA-N",379187,NA,"PDBC09616","663595","Present",NA,NA
+"9617","1-Ethyl-1,2,3,9-tetrahydropyrido[3,4-b]indol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-1,2,3,9-tetrahydropyrido[3,4-b]indol-4-one",NA,"CCC1C2=C(C(=O)CN1)C3=CC=CC=C3N2","LERUSZXJBLIYRJ-UHFFFAOYSA-N",363936,NA,"PDBC09617","629425","Present",NA,NA
+"9618","1-Ethyl-1-[2-[ethyl(methylcarbamoyl)amino]ethyl]-3-methyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-1-[2-[ethyl(methylcarbamoyl)amino]ethyl]-3-methyl-urea",NA,"CCN(CCN(CC)C(=O)NC)C(=O)NC","RYNMEXSNDNQDHP-UHFFFAOYSA-N",393254,NA,"PDBC09618","694881","Present",NA,NA
+"9619","1-Ethyl-1-[2-[ethyl(phenylcarbamoyl)amino]ethyl]-3-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-1-[2-[ethyl(phenylcarbamoyl)amino]ethyl]-3-phenyl-urea",NA,"CCN(CCN(CC)C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2","NVNBATZARGQNDR-UHFFFAOYSA-N",393253,NA,"PDBC09619","694880","Present",NA,NA
+"9620","1-Ethyl-1-[3-[ethyl(phenylcarbamoyl)amino]propyl]-3-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-1-[3-[ethyl(phenylcarbamoyl)amino]propyl]-3-phenyl-urea",NA,"CCN(CCCN(CC)C(=O)NC1=CC=CC=C1)C(=O)NC2=CC=CC=C2","PMBYEWRBCHIIOG-UHFFFAOYSA-N",390702,NA,"PDBC09620","688344","Present",NA,NA
+"9621","1-Ethyl-1-phenylphosphinan-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-1-phenylphosphinan-1-ium;iodide",NA,"CC[P+]1(CCCCC1)C2=CC=CC=C2.[I-]","WGLWOAKNFPADME-UHFFFAOYSA-M",357590,NA,"PDBC09621","617065","Present",NA,NA
+"9622","1-Ethyl-2,4,6-triphenyl-4-(trichloromethyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-2,4,6-triphenyl-4-(trichloromethyl)pyridine",NA,"CCN1C(=CC(C=C1C2=CC=CC=C2)(C3=CC=CC=C3)C(Cl)(Cl)Cl)C4=CC=CC=C4","LCOZIAZRBPYFFP-UHFFFAOYSA-N",386205,NA,"PDBC09622","677921","Present",NA,NA
+"9623","1-Ethyl-2-(3,5-dimethoxyphenyl)-1H-naphth[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dimethoxyphenyl)-1-ethyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C4=CC(=CC(=C4)OC)OC","FAEMHGXSUPXMRQ-UHFFFAOYSA-N",377409,NA,"PDBC09623","658852","Present",NA,NA
+"9624","1-Ethyl-2-(4-fluorophenyl)-1H-naphth[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-2-(4-fluorophenyl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C4=CC=C(C=C4)F","UXJSDMUHBMWJSS-UHFFFAOYSA-N",377406,NA,"PDBC09624","658849","Present",NA,NA
+"9625","1-Ethyl-2-(4-methoxyphenyl)-1H-naphth[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-2-(4-methoxyphenyl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C4=CC=C(C=C4)OC","UGXWNEHJXLKPLD-UHFFFAOYSA-N",377418,NA,"PDBC09625","658861","Present",NA,NA
+"9626","1-Ethyl-2-(chloromethyl)-1H-naphth[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Chloromethyl)-1-ethyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)CCl","QVFKXVCIIGIGND-UHFFFAOYSA-N",377403,NA,"PDBC09626","658846","Present",NA,NA
+"9627","1-Ethyl-2-ethylsulfanyl-7-nitro-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-2-(ethylsulfanyl)-7-nitro-1H-benzimidazole",NA,"CCN1C2=C(C=CC=C2[N+](=O)[O-])N=C1SCC","MHSJTQISLUPKOQ-UHFFFAOYSA-N",364069,NA,"PDBC09627","629708","Present",NA,NA
+"9628","1-Ethyl-2-heptadecyl-1-(prop-2-en-1-yl)-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-2-heptadecyl-1-(prop-2-en-1-yl)-4,5-dihydro-1H-imidazol-1-ium ethyl sulfate",NA,"CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CC)CC=C.CCOS(=O)(=O)[O-]","JTNAIYBZLQUATM-UHFFFAOYSA-M",24183910,NA,"PDBC09628","31710","Present",NA,NA
+"9629","1-Ethyl-2-phenyl-1H-naphth[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-2-phenyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C4=CC=CC=C4","SOADXNLSDCQWQK-UHFFFAOYSA-N",377413,NA,"PDBC09629","658856","Present",NA,NA
+"9630","1-Ethyl-2-propyl-1H-naphth[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-2-propyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCCC1=NC2=C(N1CC)C(=O)C3=CC=CC=C3C2=O","VITPFZBXDRHVOJ-UHFFFAOYSA-N",377415,NA,"PDBC09630","658858","Present",NA,NA
+"9631","1-Ethyl-3,6-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-3,6-dimethyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione",NA,"CCN1C2=C(C(=N1)C)NC(=O)C(NC2=O)C","RQNHVUFILDKNCT-UHFFFAOYSA-N",377440,NA,"PDBC09631","658893","Present",NA,NA
+"9632","1-Ethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-3-[(E)-(2-hydroxy-5-nitro-phenyl)methyleneamino]thiourea",NA,"CCNC(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])O","RBMLXWGQAMURNK-WUXMJOGZSA-N",135484931,NA,"PDBC09632","673835","Present",NA,NA
+"9633","1-Ethyl-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,"CCNC(=S)NN=CC1=CC=CC=N1","BSARYNMULKHEMH-KPKJPENVSA-N",7728685,NA,"PDBC09633","673832","Present",NA,NA
+"9634","1-Ethyl-3-[11-[3-(ethylcarbamothioylamino)-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-3-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-3-[11-[3-(ethylcarbamothioylamino)-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-5-ethylimino-4,8-dithia-6,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2,6-tr",NA,"CCNC(=S)NC1=C2C3=C(CN(CC3)N4CCC5=C(C4)SC6=NC(=NCC)SC(=C56)NC(=S)NCC)SC2=NC(=NCC)S1","CHTHAUBYOYJQGY-UHFFFAOYSA-N",5470736,NA,"PDBC09634","704851","Present",NA,NA
+"9635","1-Ethyl-3-[4-(3-methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy)-ph enyl]-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-ethyl-3-[4-(3-methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy...",NA,"CCNC(=O)NC1=CC=C(C=C1)OC2=C3C4=C(C=CC3=NC=C2)N(C=C4)C","YNOIPVQBAUFGDO-UHFFFAOYSA-N",406604,NA,"PDBC09635","724818","Present",NA,NA
+"9636","1-Ethyl-3-[4-chloro-alpha-(1H-imidazol-1-yl)benzyl]-5-bromo-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-3-[(4-chlorophenyl)-imidazol-1-yl-methyl]-1-ethyl-indole",NA,"CCN1C=C(C2=C1C=CC(=C2)Br)C(C3=CC=C(C=C3)Cl)N4C=CN=C4","ZUWZMYGOOTZWBS-UHFFFAOYSA-N",399827,NA,"PDBC09636","710962","Present",NA,NA
+"9637","1-Ethyl-3-[[2-[2-[(ethylcarbamothioylamino)carbamoyl]anilino]benzoyl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-3-[[2-[2-[(ethylcarbamothioylamino)carbamoyl]anilino]benzoyl]amino]thiourea",NA,"CCNC(=S)NNC(=O)C1=CC=CC=C1NC2=CC=CC=C2C(=O)NNC(=S)NCC","GKJIXJBUVXETAO-UHFFFAOYSA-N",3005414,NA,"PDBC09637","698457","Present",NA,NA
+"9638","1-Ethyl-3-methyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-3-methyl-1,4,6,7-tetrahydropyrazolo[4,3-e][1,4]diazepine-5,8-dione",NA,"CCN1C2=C(C(=N1)C)NC(=O)CNC2=O","LHAKBWLTJSZAGY-UHFFFAOYSA-N",377439,NA,"PDBC09638","658892","Present",NA,NA
+"9639","1-Ethyl-3-methyl-2-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-3-methyl-2-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)benzene",NA,"CCC1=CC=CC(=C1NC(=O)NS(=O)(=O)C2=CC=C(C=C2)C)C","GAIWCIYJFTXIBB-UHFFFAOYSA-N",367467,NA,"PDBC09639","637199","Present",NA,NA
+"9640","1-Ethyl-3-pyridin-2-ylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-3-pyridin-2-ylurea",NA,"CCNC(=O)NC1=CC=CC=N1","IYRCTNBKKJBHRT-UHFFFAOYSA-N",376251,NA,"PDBC09640","656957","Present",NA,NA
+"9641","1-Ethyl-4-(2,6-dichloro-4-aminophenoxy)-5-chloropyridazine-6(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-4-(2,6-dichloro-4-aminophenoxy)-5-chloropyridazine-6(1H)-one",NA,"CCN1C(=O)C(=C(C=N1)OC2=C(C=C(C=C2Cl)N)Cl)Cl","YERYCQASXNZRFY-UHFFFAOYSA-N",400497,NA,"PDBC09641","712394","Present",NA,NA
+"9642","1-Ethyl-4-hydroxy-3-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-4-hydroxy-3-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimido[4,5-d]pyrimidine-2,5(1H)-dione",NA,"CCN1C2=C(C(N(C1=O)C)O)C(=O)N3C=CC=CC3=N2","IGQOWKHOTIGEPI-UHFFFAOYSA-N",375438,NA,"PDBC09642","655161","Present",NA,NA
+"9643","1-Ethyl-4-nitroso-1H-pyrazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DNWBJBVXTUSJGC-UHFFFAOYSA-N",NA,"CCN1C(=C(C=N1)N=O)N","DNWBJBVXTUSJGC-UHFFFAOYSA-N",353774,NA,"PDBC09643","602890","Present",NA,NA
+"9644","1-Ethyl-4-nitroso-1H-pyrazol-5-amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC602889",NA,"CCN1C(=C(C=N1)N=O)N.Cl","WORAXEULARWJBN-UHFFFAOYSA-N",353773,NA,"PDBC09644","602889","Present",NA,NA
+"9645","1-Ethyl-4-oxido-6-phenyl-pyrazolo[3,4-b]pyrazin-4-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-4-oxido-6-phenyl-pyrazolo[3,4-b]pyrazin-4-ium",NA,"CCN1C2=NC(=C[N+](=C2C=N1)[O-])C3=CC=CC=C3","NJKXIZYAJNKCRR-UHFFFAOYSA-N",494317,NA,"PDBC09645","602891","Present",NA,NA
+"9646","1-Ethyl-4-phenylazepane-4-carbonitrile;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC400476",NA,"CCN1CCCC(CC1)(C#N)C2=CC=CC=C2.Cl","QTNFNRQSFRKKQG-UHFFFAOYSA-N",24200670,NA,"PDBC09646","400476","Present",NA,NA
+"9647","1-Ethyl-5-[(E)-3-(1-ethyl-2,4-dioxo-pyrimidin-5-yl)but-1-enyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)Pyrimidinedione, 5,5'-(2-butenylene)bis[1-ethyl-",NA,"CCN1C=C(C(=O)NC1=O)C=CC(C)C2=CN(C(=O)NC2=O)CC","RIUWKTPMUUUIDU-VOTSOKGWSA-N",5917076,NA,"PDBC09647","626422","Present",NA,NA
+"9648","1-Ethyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,"CCN1C2(C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)SC=N1","IGDGPSKMCJILPI-UHFFFAOYSA-N",364471,NA,"PDBC09648","630738","Present",NA,NA
+"9649","1-Ethyl-6-(Ethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1 - Ethyl -6 - (Ethylthio) - 1H - pyrazolo[3,4-d]pyrimid...",NA,"CCN1C2=NC(=NC(=C2C=N1)N)SCC","RCYYIEGGXUPAJO-UHFFFAOYSA-N",24203438,NA,"PDBC09649","728028","Present",NA,NA
+"9650","1-Ethylimidazolium-trans-tetrachlorobis- 1-ethylimidazol...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethylimidazolium-trans-tetrachlorobis- 1-ethylimidazol...",NA,NA,NA,NA,NA,"PDBC09650","630112","Present",NA,NA
+"9651","1-Ethylpyrazolium-trans-tetrachlorobis-1- ethylpyrazoler...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethylpyrazolium-trans-tetrachlorobis-1- ethylpyrazoler...",NA,NA,NA,NA,NA,"PDBC09651","630120","Present",NA,NA
+"9652","1-Ethynyl-2-carboethoxyethenylnaphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-ethynyl-2-carboethoxyethenylnaphthalene",NA,"CCOC(=O)C=CC1=C(C2=CC=CC=C2C=C1)C#C","HFCLILYMRONETA-VAWYXSNFSA-N",24205329,NA,"PDBC09652","735063","Present",NA,NA
+"9653","1-Fluoro-2,4-dinitroimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Fluoro-2,4-dinitro-imidazole",NA,"C1=C(N=C(N1F)[N+](=O)[O-])[N+](=O)[O-]","WWONLHHATWLIAP-UHFFFAOYSA-N",390555,NA,"PDBC09653","688041","Present",NA,NA
+"9654","1-Fluoro-3-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)adamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Fluoro-3-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)adamantane",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC23CC4CC(C2)CC(C4)(C3)F","LDNKPWXUUQRYFH-UHFFFAOYSA-N",371833,NA,"PDBC09654","646349","Present",NA,NA
+"9655","1-Fluoro-3-(2-nitrovinyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-031223",NA,"C1=CC(=CC(=C1)F)C=C[N+](=O)[O-]","NOXNBNYWEWJUTM-SNAWJCMRSA-N",5702506,NA,"PDBC09655","295466","Present",NA,NA
+"9656","1-Fluoro-4,5-dinitroimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Fluoro-4,5-dinitro-imidazole",NA,"C1=NC(=C(N1F)[N+](=O)[O-])[N+](=O)[O-]","SCCAKRRXAWUWOI-UHFFFAOYSA-N",390554,NA,"PDBC09656","688040","Present",NA,NA
+"9657","1-Fluoro-4-(12-(4-fluorophenyl)-3,10-dimethyl-2,10-dodecadienyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Fluoro-4-(12-(4-fluorophenyl)-3,10-dimethyl-2,10-dodecadienyl)benzene",NA,"CC(=CCC1=CC=C(C=C1)F)CCCCCCC(=CCC2=CC=C(C=C2)F)C","IBKBVXJQQVBYHG-VGENTYGXSA-N",5469375,NA,"PDBC09657","687148","Present",NA,NA
+"9658","1-Fluoro-7-nitrofluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Fluoro-7-nitrofluoren-9-one",NA,"C1=CC2=C(C(=C1)F)C(=O)C3=C2C=CC(=C3)[N+](=O)[O-]","NTGAQPLRGRIJPT-UHFFFAOYSA-N",347243,NA,"PDBC09658","405789","Present",NA,NA
+"9659","1-Formyl-4-thioformylpiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Formyl-4-thioformylpiperazine",NA,"C1CN(CCN1C=O)C=S","CILPTWMDHGCSSU-UHFFFAOYSA-N",365326,NA,"PDBC09659","632917","Present",NA,NA
+"9660","1-Formylisoquinoline thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)-, ...",NA,"C1=CC=C2C(=C1)C=CN=C2C=NNC(=S)N","FQWITMQQUMTMRE-AUWJEWJLSA-N",5874389,NA,"PDBC09660","162700","Present",NA,NA
+"9661","1-Heptadecyloctadecyl dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Heptadecyloctadecyl dihydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OP(=O)(O)O","OCQQHAPIBNSOPF-UHFFFAOYSA-N",361965,NA,"PDBC09661","625450","Present",NA,NA
+"9662","1-Heptyl-3-[5-(1-heptyl-3-hydroxy-2-oxo-indolin-3-yl)-2-thienyl]-3-hydroxy-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Heptyl-3-[5-(1-heptyl-3-hydroxy-2-oxo-indolin-3-yl)-2-thienyl]-3-hydroxy-indolin-2-one",NA,"CCCCCCCN1C2=CC=CC=C2C(C1=O)(C3=CC=C(S3)C4(C5=CC=CC=C5N(C4=O)CCCCCCC)O)O","RBAXLWYUWUWQLG-UHFFFAOYSA-N",383509,NA,"PDBC09662","671896","Present",NA,NA
+"9663","1-Heptylsulfanyl-3-trityloxy-propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Heptylsulfanyl-3-trityloxy-propan-2-ol",NA,"CCCCCCCSCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O","PFASJRQFQOEXMR-UHFFFAOYSA-N",390882,NA,"PDBC09663","688993","Present",NA,NA
+"9664","1-Hexadecyl-3-methylimidazolium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hexadecyl-3-methylimidazolium chloride",NA,"CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]","ZCPPLZJPPBIWRU-UHFFFAOYSA-M",2734231,NA,"PDBC09664","747260","Present",NA,NA
+"9665","1-Hexanoyl-4-(4-methoxyphenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hexanoyl-4-(4-methoxyphenyl)-1,2,4-triazolidine-3,5-dione",NA,"CCCCCC(=O)N1C(=O)N(C(=O)N1)C2=CC=C(C=C2)OC","CRTYIWVQCGHCBH-UHFFFAOYSA-N",388172,NA,"PDBC09665","682737","Present",NA,NA
+"9666","1-Hexyne, 1-[(trifluoromethyl)sulfonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hexyne, 1-[(trifluoromethyl)sulfonyl]-",NA,"CCCCC#CS(=O)(=O)C(F)(F)F","UZDKISUHEORQHJ-UHFFFAOYSA-N",362875,NA,"PDBC09666","627320","Present",NA,NA
+"9667","1-Hexynyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hexynyl p-toluenesulfonate",NA,"CCCCC#COS(=O)(=O)C1=CC=C(C=C1)C","RPMSXRZMXPLKKV-UHFFFAOYSA-N",371538,NA,"PDBC09667","645866","Present",NA,NA
+"9668","1-Hydrosulfonyl-N-(4-hydroxyphenyl)formamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Hydroxyphenyl)sulfanecarboximidamide dioxide",NA,"C1=CC(=CC=C1N=C(N)S(=O)[O-])O","NQLSEHQHFJZFBP-UHFFFAOYSA-M",6399360,NA,"PDBC09668","683262","Present",NA,NA
+"9669","1-Hydroxy-1-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-1-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl]urea",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N(C(=O)N)O","GQUKYSQQRZCVEM-UHFFFAOYSA-N",390868,NA,"PDBC09669","693091","Present",NA,NA
+"9670","1-Hydroxy-10-methyl-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[d]naphtho[1,2-b]pyran-6-one, 1-hydroxy-10-methyl-7...",NA,"CC1CCCC2=C1C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O","VSIBYLUZYNYFPG-UHFFFAOYSA-N",373241,NA,"PDBC09670","649270","Present",NA,NA
+"9671","1-Hydroxy-11,13-dimethoxy-6H-[1]benzofuro[5,6-c]benzo[h]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-11,13-dimethoxy-6H-[1]benzofuro[5,6-c]benzo[h]chromen-6-one",NA,"COC1=C2C(=C3C(=C1)C4=C(C=C5C=COC5=C4OC)C(=O)O3)C=CC=C2O","AXEPOELCIJWDNH-UHFFFAOYSA-N",374695,NA,"PDBC09671","652862","Present",NA,NA
+"9672","1-Hydroxy-11,13-dimethoxy-9-(trimethylsilyl)-6H-[1]benzofuro[5,6-c]benzo[h]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-11,13-dimethoxy-9-(trimethylsilyl)-6H-[1]benzofuro[5,6-c]benzo[h]chromen-6-one",NA,"COC1=C2C(=C3C(=C1)C4=C(C=C5C=C(OC5=C4OC)[Si](C)(C)C)C(=O)O3)C=CC=C2O","XFYXOHCMSUSCEW-UHFFFAOYSA-N",374696,NA,"PDBC09672","652863","Present",NA,NA
+"9673","1-Hydroxy-2,1-benzoxaborolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3(1H)-1,2-Benzoboroxole",NA,"B1(C2=CC=CC=C2CO1)O","XOQABDOICLHPIS-UHFFFAOYSA-N",403788,NA,"PDBC09673","719278","Present",NA,NA
+"9674","1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinecarbaldehyde oxime 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinecarbaldehyde oxime 3-oxide",NA,"CC1(C(=CN=O)N(C(N1O)(C)C)O)C","DJZVOAQNCMYWOU-WAYWQWQTSA-N",5465832,NA,"PDBC09674","663919","Present",NA,NA
+"9675","1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinecarbonitrile 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2,2,5,5-tetramethyl-4-imidazolidinecarbonitrile 3-oxide",NA,"CC1(C(=[N+](C(N1O)(C)C)[O-])C#N)C","ASTJTQSJRMMCCR-UHFFFAOYSA-N",379395,NA,"PDBC09675","663937","Present",NA,NA
+"9676","1-Hydroxy-2,5-dimethyl-2,6-diphenyl-4-(1-phenylethyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2,5-dimethyl-2,6-diphenyl-4-(1-phenylethyl)piperazine",NA,"CC1C(N(C(CN1C(C)C2=CC=CC=C2)(C)C3=CC=CC=C3)O)C4=CC=CC=C4","JUGSFJFMUZGDPP-UHFFFAOYSA-N",371787,NA,"PDBC09676","646231","Present",NA,NA
+"9677","1-Hydroxy-2-(2,4,4-trimethylpentan-2-yl)guanidine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2-(2,4,4-trimethylpentan-2-yl)guanidine;oxalic acid",NA,"CC(C)(C)CC(C)(C)N=C(N)NO.C(=O)(C(=O)O)O","ZNCMCZYKZFOMEV-UHFFFAOYSA-N",379731,NA,"PDBC09677","664707","Present",NA,NA
+"9678","1-Hydroxy-2-(2-(4-morpholinyl)-2-cyclohexen-1-yl)-2-phenyl-1,2-dihydro-3H-indol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2-(2-(4-morpholinyl)-2-cyclohexen-1-yl)-2-phenyl-1,2-dihydro-3H-indol-3-one",NA,"C1CC=C(C(C1)C2(C(=O)C3=CC=CC=C3N2O)C4=CC=CC=C4)N5CCOCC5","DTQWPAJNCXFQHJ-UHFFFAOYSA-N",374527,NA,"PDBC09678","652278","Present",NA,NA
+"9679","1-Hydroxy-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1C=NN=C(N)NO","QNNJJKUOBDWCNW-ICSBZGNSSA-N",50990865,NA,"PDBC09679","646109","Present",NA,NA
+"9680","1-Hydroxy-2-[(E)-(3-hydroxypyridin-2-yl)methylideneamino]guanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2-[(E)-(3-hydroxypyridin-2-yl)methylideneamino]guanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(N=C1)C=NN=C(N)NO)O","FUYSRWHZBXYONA-FCVRUTMISA-N",135510085,NA,"PDBC09680","625742","Present",NA,NA
+"9681","1-Hydroxy-2-[(Z)-(2,3,4-trihydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2-[(Z)-(2,3,4-trihydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C(=C1C=NN=C(N)NO)O)O)O","GUTVHWJNYVXLGX-HVHUWTQGSA-N",135510079,NA,"PDBC09681","625739","Present",NA,NA
+"9682","1-Hydroxy-2-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1C=NN=C(N)NO)O)[N+](=O)[O-])[N+](=O)[O-]","OYXSICDMKRJZOM-HVHUWTQGSA-N",135510075,NA,"PDBC09682","625737","Present",NA,NA
+"9683","1-Hydroxy-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2-[(Z)-(2-hydroxyphenyl)methylideneamino]guanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)C=NN=C(N)NO)O","FACDHGYCPLGGNO-WIMVAJRLSA-N",135510083,NA,"PDBC09683","625741","Present",NA,NA
+"9684","1-Hydroxy-2-butenylphosphonic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-Dimethoxyphosphorylbut-2-en-1-ol",NA,"CC=CC(O)P(=O)(OC)OC","ZTFCKDGCKRVFED-SNAWJCMRSA-N",5470785,NA,"PDBC09684","705128","Present",NA,NA
+"9685","1-Hydroxy-2-methoxyanthracene-4-propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-2-methoxyanthracene-4-propanoic acid",NA,"COC1=C(C2=CC3=CC=CC=C3C=C2C(=C1)CCC(=O)O)O","IUTRRFLRZUNJIL-UHFFFAOYSA-N",399715,NA,"PDBC09685","710746","Present",NA,NA
+"9686","1-Hydroxy-3,3a,4,5,6,7-hexahydro-2H-indene-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3,3a,4,5,6,7-hexahydro-2H-indene-2-one",NA,"C1CCC2=C(C(=O)CC2C1)O","ODRIYRNIMUSZDD-UHFFFAOYSA-N",359245,NA,"PDBC09686","619953","Present",NA,NA
+"9687","1-Hydroxy-3-(2,4,4-trimethylpentan-2-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3-(2,4,4-trimethylpentan-2-yl)thiourea",NA,"CC(C)(C)CC(C)(C)NC(=S)NO","WWSJJRURCYJJTP-UHFFFAOYSA-N",3815887,NA,"PDBC09687","664706","Present",NA,NA
+"9688","1-Hydroxy-3-(2-furanyl)-2-propenylphosphonic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-Dimethoxyphosphoryl-3-(furan-2-yl)prop-2-en-1-ol",NA,"COP(=O)(C(C=CC1=CC=CO1)O)OC","NROBREGWPDWSHZ-AATRIKPKSA-N",5470784,NA,"PDBC09688","705127","Present",NA,NA
+"9689","1-Hydroxy-3-[(E)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3-[(E)-(3-hydroxy-4-methoxy-phenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C=C1)C=NN=C(N)NO)O","YNXZNJZUTSAYBH-HMXKFKBXSA-N",9574166,NA,"PDBC09689","646103","Present",NA,NA
+"9690","1-Hydroxy-3-[(E)-(4-hydroxy-3-methoxy-phenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3-[(E)-(4-hydroxy-3-methoxy-phenyl)methyleneamino]guanidine; 4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=CC(=C1)C=NN=C(N)NO)O","UOHACFRMFCWKSI-HMXKFKBXSA-N",135499235,NA,"PDBC09690","646104","Present",NA,NA
+"9691","1-Hydroxy-3-[2-[2-[2-[2-(1-hydroxy-6-methyl-2-sulfanylidenepyridin-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]-6-methylpyridine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-(2,2'-(2,2'-oxybis(ethane-2,1-diyl)bis(oxy))bis(eth...",NA,"CC1=CC=C(C(=S)N1O)OCCOCCOCCOCCOC2=CC=C(N(C2=S)O)C","NFZSCIGNYNUEPW-UHFFFAOYSA-N",155815532,NA,"PDBC09691","800287","Present",NA,NA
+"9692","1-Hydroxy-3-[2-[2-[2-[2-[2-(1-hydroxy-6-methyl-2-sulfanylidenepyridin-3-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-6-methylpyridine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-(3,6,9,12-tetraoxatetradecane-1,14-diylbis(oxy))bis...",NA,"CC1=CC=C(C(=S)N1O)OCCOCCOCCOCCOCCOC2=CC=C(N(C2=S)O)C","VRLWTLXADZKMHY-UHFFFAOYSA-N",155815526,NA,"PDBC09692","800288","Present",NA,NA
+"9693","1-Hydroxy-3-methoxy-10-methylacridone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RD7-5040",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3O)OC","OCUBFJMZYYIVBO-UHFFFAOYSA-N",5377412,NA,"PDBC09693","681019","Present",NA,NA
+"9694","1-Hydroxy-3-methoxy-5-methyl-10H-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3-methoxy-5-methyl-9(10)-acridinone",NA,"CC1=C2C(=CC=C1)C(=O)C3=C(N2)C=C(C=C3O)OC","KIOGLALGCJHJDX-UHFFFAOYSA-N",5465793,NA,"PDBC09694","662139","Present",NA,NA
+"9695","1-Hydroxy-3-methoxy-8,10-dimethyl-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3-methoxy-8,10-dimethyl-9(10)-acridinone",NA,"CC1=C2C(=CC=C1)N(C3=C(C2=O)C(=CC(=C3)OC)O)C","YEYSAZDGERSVQW-UHFFFAOYSA-N",5465792,NA,"PDBC09695","662138","Present",NA,NA
+"9696","1-Hydroxy-3-methyl-10H-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3-methyl-10H-acridin-9-one",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2","BMHHDKWYWYUBBR-UHFFFAOYSA-N",5465764,NA,"PDBC09696","660814","Present",NA,NA
+"9697","1-Hydroxy-3-methyl-11-oxa-2-aza-benzo[b]fluorene-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3-methyl-11-oxa-2-aza-benzo[b]fluorene-4-carboxylic acid",NA,"CC1=C(C2=C(C(=O)N1)OC3=CC4=CC=CC=C4C=C32)C(=O)O","YAMFJLJQNZGQRO-UHFFFAOYSA-N",378990,NA,"PDBC09697","662582","Present",NA,NA
+"9698","1-Hydroxy-4-[4-(2-hydroxyethyl)anilino]anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthraquinone, 1-hydroxy-4-[p-(2-hydroxyethyl)anilino]-",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NC4=CC=C(C=C4)CCO","HEIUNTCQZMXSDO-UHFFFAOYSA-N",291365,NA,"PDBC09698","156565","Present",NA,NA
+"9699","1-Hydroxy-4-hydroxyiminomethyl-2,2,5,5-tetramethyl-3-imidazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZWKRLPBJNSCBP-WEVVVXLNSA-N",NA,"CC1(C(=NC(N1O)(C)C)C=NO)C","AZWKRLPBJNSCBP-WEVVVXLNSA-N",135509155,NA,"PDBC09699","663916","Present",NA,NA
+"9700","1-Hydroxy-4-methoxy-7,8-dihydro-5H-benzo[a]cycloheptene-5,9(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-4-methoxy-7,8-dihydro-5H-benzo[a]cycloheptene-5,9(6H)-dione",NA,"COC1=C2C(=O)CCCC(=O)C2=C(C=C1)O","WDACKGUYEUDOGU-UHFFFAOYSA-N",361670,NA,"PDBC09700","624888","Present",NA,NA
+"9701","1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-4-oxo-2,5-cyclohexadiene-1-acetamide",NA,"C1=CC(C=CC1=O)(CC(=O)N)O","CJJCCPNQRODTES-UHFFFAOYSA-N",396469,NA,"PDBC09701","702646","Present",NA,NA
+"9702","1-Hydroxy-5-oxo-2-phenylcyclohexanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-5-oxo-2-phenylcyclohexanecarboxylic acid",NA,"C1CC(=O)CC(C1C2=CC=CC=C2)(C(=O)O)O","GJJJBQYNYSREEH-UHFFFAOYSA-N",372278,NA,"PDBC09702","647336","Present",NA,NA
+"9703","1-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK366297",NA,"C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","CPIKPLOLVMTKGG-UHFFFAOYSA-N",242249,NA,"PDBC09703","50648","Present",NA,NA
+"9704","1-Hydroxy-alpha-phenylcyclopentaneacetic acid 3-quinuclidinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665739///NSC665747",NA,"C1CCC(C1)(C(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4)O","ZMPSKFMPHXKCJA-UHFFFAOYSA-N",380260,NA,"PDBC09704","665739///665747","Present",NA,NA
+"9705","1-Hydroxycyclododecanecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YFTBTHFVKKQJBS-UHFFFAOYSA-N",NA,"C1CCCCCC(CCCCC1)(C#N)O","YFTBTHFVKKQJBS-UHFFFAOYSA-N",380691,NA,"PDBC09705","666395","Present",NA,NA
+"9706","1-I(3)-Chloropropylsilatrane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-I(3)-Chloropropylsilatrane",NA,"C1CO[Si]2(OCCN1CCO2)CCCCl","ZWMZODRUDVNBOM-UHFFFAOYSA-N",142804,NA,"PDBC09706","626547","Present",NA,NA
+"9707","1-Imidazol-1-yl-2-phenothiazin-10-ylpropan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1H-Imidazol-1-yl)-2-(10H-phenothiazin-10-yl)propan-1-one",NA,"CC(C(=O)N1C=CN=C1)N2C3=CC=CC=C3SC4=CC=CC=C42","VIMPHBFCUXBPCC-UHFFFAOYSA-N",377188,NA,"PDBC09707","658415","Present",NA,NA
+"9708","1-Imidazolidinepropanoic acid, 3-(4-methoxyphenyl)-4,5-dioxo-2-thioxo-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Imidazolidinepropanoic acid, 3-(4-methoxyphenyl)-4,5-dioxo-2-thioxo-, ethyl ester",NA,"CCOC(=O)CCN1C(=O)C(=O)N(C1=S)C2=CC=C(C=C2)OC","MNWISZQHHYEREN-UHFFFAOYSA-N",383267,NA,"PDBC09708","671381","Present",NA,NA
+"9709","1-Indenone, 3-hydroxy-2-(2-quinoxalinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Indenone, 3-hydroxy-2-(2-quinoxalinyl)-",NA,"C1=CC=C2C(=C1)C(=C(C2=O)C3=NC4=CC=CC=C4N=C3)O","WUFMPLCXHNQVRG-UHFFFAOYSA-N",366050,NA,"PDBC09709","634224","Present",NA,NA
+"9710","1-Indolylmethyl-1,3,4-thiadiaz-2-OL,5-phenylamin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_878117",NA,"C1=CC=C(C=C1)NC2=NN=C(S2)CN3C=CC4=CC=CC=C43","DYSQWNMURQWOGS-UHFFFAOYSA-N",396537,NA,"PDBC09710","703007","Present",NA,NA
+"9711","1-Iodo-2,2-dimethylpropane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neopentyl iodide",NA,"CC(C)(C)CI","CJTZXIJETZZARD-UHFFFAOYSA-N",84953,NA,"PDBC09711","617421","Present",NA,NA
+"9712","1-Isobutyl-5-methyldihydro-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Isobutyl-5-methyldihydro-2,4(1H,3H)-pyrimidinedione",NA,"CC1CN(C(=O)NC1=O)CC(C)C","MTDFMKJQQUUCRK-UHFFFAOYSA-N",362313,NA,"PDBC09712","625949","Present",NA,NA
+"9713","1-Isonicotinoyl-3-methyl-4-(4-methylphenyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6amine, 3-methyl- 4-(4-me...",NA,"CC1=CC=C(C=C1)C2C3=C(N=C(S2)N)N(N=C3C)C(=O)C4=CC=NC=C4","SZTDKVJTFXOKQW-UHFFFAOYSA-N",376868,NA,"PDBC09713","657987","Present",NA,NA
+"9714","1-Isonicotinoyl-3-methyl-5-pyrazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Isonicotinoyl-3-methyl-5-pyrazolone",NA,"CC1=NN(C(=O)C1)C(=O)C2=CC=NC=C2","IDOLGSRILKOZDY-UHFFFAOYSA-N",387326,NA,"PDBC09714","681070","Present",NA,NA
+"9715","1-Isopentyl-2H-pyrazolo[4,3-b]quinoxalin-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Isopentyl-2H-pyrazolo[4,3-b]quinoxalin-3-imine",NA,"CC(C)CCN1C2=NC3=CC=CC=C3N=C2C(=N1)N","GUXLIVYUPGLNRC-UHFFFAOYSA-N",392852,NA,"PDBC09715","693864","Present",NA,NA
+"9716","1-Isopropoxy-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5,8-dioxaspiro[3.4]oct-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Isopropoxy-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-5,8-dioxaspiro[3.4]oct-1-en-3-one",NA,"CC(C)OC1=C(C(=O)C12OCCO2)CC3(OCCO3)C","PBDWAPJHJUDGOZ-UHFFFAOYSA-N",394539,NA,"PDBC09716","698084","Present",NA,NA
+"9717","1-Isopropoxy-3-(octyloxy)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-isopropoxy-3-octoxy-propan-2-ol",NA,"CCCCCCCCOCC(COC(C)C)O","HAXFADIBYNUWJM-UHFFFAOYSA-N",372440,NA,"PDBC09717","647554","Present",NA,NA
+"9718","1-Isopropyl-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Isopropyl-2,3,4,5-tetraphenyl-2,4-cyclopentadien-1-ol",NA,"CC(C)C1(C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)O","TWKMEFMBSYSNHH-UHFFFAOYSA-N",361652,NA,"PDBC09718","624870","Present",NA,NA
+"9719","1-Isopropyl-2-methylpropyl 4-((2,5-dihydroxybenzyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, 2...",NA,"CC(C)C(C(C)C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","KUABINSNUDJEPW-UHFFFAOYSA-N",387217,NA,"PDBC09719","680779","Present",NA,NA
+"9720","1-Isopropyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Isopropyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"CC(C)C1N2C(=NC3=CC=CC=C32)CS1","CRQBLABDWHLEIW-UHFFFAOYSA-N",382384,NA,"PDBC09720","669942","Present",NA,NA
+"9721","1-Isopropyl-4-(3-(1-piperidinylsulfonyl)-4-pyridinyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Isopropyl-4-(3-(1-piperidinylsulfonyl)-4-pyridinyl)piperazine",NA,"CC(C)N1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCCCC3","HFOPEKGPORHVAN-UHFFFAOYSA-N",325375,NA,"PDBC09721","293958","Present",NA,NA
+"9722","1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Isopropyl-4-methyl-3,4-bis(methylthio)-1-cyclohexene",NA,"CC(C)C1=CC(C(CC1)(C)SC)SC","HDMDTBNXVLZBIK-UHFFFAOYSA-N",375769,NA,"PDBC09722","655919","Present",NA,NA
+"9723","1-Isoquinolinamine, 3-(1-naphthalenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Isoquinolinamine, 3-(1-naphthalenyl)-",NA,"C1=CC=C2C(=C1)C=CC=C2C3=CC4=CC=CC=C4C(=N3)N","ZSEYNJWKNQXNGL-UHFFFAOYSA-N",322083,NA,"PDBC09723","277987","Present",NA,NA
+"9724","1-Isotetrandrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isotetrandrine",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC","WVTKBKWTSCPRNU-IHLOFXLRSA-N",5351212,NA,"PDBC09724","97338","Present",NA,NA
+"9725","1-Mesityl-2,3-diphenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Mesityl-2,3-diphenyl-2-propen-1-one",NA,"CC1=CC(=C(C(=C1)C)C(=O)C(=CC2=CC=CC=C2)C3=CC=CC=C3)C","NBVIOTWEGHSDGM-CJLVFECKSA-N",5466859,NA,"PDBC09725","644640","Present",NA,NA
+"9726","1-Mesityl-3-(4-methoxyphenyl)-2-methyl-3-phenyl-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644637///NSC644642",NA,"CC1=CC(=C(C(=C1)C)C(=O)C(C)C(C2=CC=CC=C2)C3=CC=C(C=C3)OC)C","FODRFNKXXDTGIV-UHFFFAOYSA-N",370902,NA,"PDBC09726","644637///644642","Present",NA,NA
+"9727","1-Methoxy-11,12-dihydrodibenzo[a,e]cycloocten-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-11,12-dihydrodibenzo[a,e]cycloocten-5(6H)-one",NA,"COC1=CC=CC2=C1CCC3=CC=CC=C3CC2=O","GCRKFHCLRBMDAA-UHFFFAOYSA-N",375809,NA,"PDBC09727","655971","Present",NA,NA
+"9728","1-Methoxy-2,1-benzoxazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-2,1-benzisoxazol-3(1H)-one",NA,"CON1C2=CC=CC=C2C(=O)O1","MWTHSJYITBKGDZ-UHFFFAOYSA-N",389272,NA,"PDBC09728","685025","Present",NA,NA
+"9729","1-Methoxy-2-(2-nitrovinyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC59450",NA,"COC1=CC=CC=C1C=C[N+](=O)[O-]","FVKSRNVYJXQCLK-VOTSOKGWSA-N",710669,NA,"PDBC09729","59450","Present",NA,NA
+"9730","1-Methoxy-2-[(E)-2-[5-(2-methoxyphenyl)-2,6-dimethylcyclohexen-1-yl]ethenyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-2-[(E)-2-[5-(2-methoxyphenyl)-2,6-dimethylcyclohexen-1-yl]ethenyl]benzene",NA,"CC1C(CCC(=C1C=CC2=CC=CC=C2OC)C)C3=CC=CC=C3OC","TVPBJULSXPLFIN-JQIJEIRASA-N",6299360,NA,"PDBC09730","338005","Present",NA,NA
+"9731","1-Methoxy-2-[(Z)-2-nitroprop-1-enyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC14006///NSC22984",NA,"CC(=CC1=CC=CC=C1OC)[N+](=O)[O-]","OFYVONMDKJKATB-FPLPWBNLSA-N",5371805,NA,"PDBC09731","14006///22984","Present",NA,NA
+"9732","1-Methoxy-2-[2-[2-[2-[2-[6-[4-[2-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-2-[2-[2-[2-[2-[6-[4-[2-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]benzene",NA,"COC1=CC=CC=C1C#CC2=CC=CC=C2C#CC3=CC=C(C=C3)OCCCCCCOC4=CC=CC=C4C#CC5=CC=CC=C5C#CC6=CC=CC=C6OC","GMRUUSHBPRIXTG-UHFFFAOYSA-N",45028396,NA,"PDBC09732","742459","Present",NA,NA
+"9733","1-Methoxy-2-[2-[2-[9-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]nona-1,8-diynyl]phenyl]ethynyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-2-[2-[2-[9-[2-[2-(2-methoxyphenyl)ethynyl]phenyl]nona-1,8-diynyl]phenyl]ethynyl]benzene",NA,"COC1=CC=CC=C1C#CC2=CC=CC=C2C#CCCCCCC#CC3=CC=CC=C3C#CC4=CC=CC=C4OC","RMUKRHVOEHOOPC-UHFFFAOYSA-N",24205313,NA,"PDBC09733","735002","Present",NA,NA
+"9734","1-Methoxy-2H-1$l^{3},2-benziodazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-2H-1$l^{3},2-benziodazol-3-one",NA,"COI1C2=CC=CC=C2C(=O)N1","XYWJVBFZMUSTMQ-UHFFFAOYSA-N",392253,NA,"PDBC09734","692394","Present",NA,NA
+"9735","1-Methoxy-3,10-dimethyl-9(10H)-acridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-3,10-dimethyl-9(10H)-acridinone",NA,"CC1=CC2=C(C(=C1)OC)C(=O)C3=CC=CC=C3N2C","SKRQVAXNVNQCKW-UHFFFAOYSA-N",378397,NA,"PDBC09735","660815","Present",NA,NA
+"9736","1-Methoxy-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"exo-3,3-Dimethyl-1-methoxybicyclo[2.2.2]oct-5-en-2-ol///endo-3,3-Dimethyl-1-methoxybicyclo[2.2.2]oct-5-en-2-ol",NA,"CC1(C2CCC(C1O)(C=C2)OC)C","VCNKUKSBEVXCPK-UHFFFAOYSA-N",377224,NA,"PDBC09736","658458///658462","Present",NA,NA
+"9737","1-Methoxy-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-1-methoxybicyclo[2.2.2]oct-5-en-2-one",NA,"CC1(C2CCC(C1=O)(C=C2)OC)C","YXQDPNKKFYJJEW-UHFFFAOYSA-N",377227,NA,"PDBC09737","658461","Present",NA,NA
+"9738","1-Methoxy-3,3-dimethylbicyclo[2.2.2]oct-5-en-2-yl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"exo-5,5-Dimethyl-1-methoxy-6-[(methylsulfonyl)oxy] bicyc...",NA,"CC1(C2CCC(C1OS(=O)(=O)C)(C=C2)OC)C","KCSBUXDDPJMVRA-UHFFFAOYSA-N",377225,NA,"PDBC09738","658459","Present",NA,NA
+"9739","1-Methoxy-3-(2-nitrovinyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-methoxy-3-[(E)-2-nitrovinyl]benzene",NA,"COC1=CC=CC(=C1)C=C[N+](=O)[O-]","IJBGIPFDIABTKB-AATRIKPKSA-N",710751,NA,"PDBC09739","783919","Present",NA,NA
+"9740","1-Methoxy-3-(octyloxy)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-122470",NA,"CCCCCCCCOCC(COC)O","WBQFDIOPTGUCHC-UHFFFAOYSA-N",372439,NA,"PDBC09740","647553","Present",NA,NA
+"9741","1-Methoxy-3-methyl-9H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Murrayafoline A",NA,"CC1=CC2=C(C(=C1)OC)NC3=CC=CC=C32","HDETUOZJFUNSKG-UHFFFAOYSA-N",375150,NA,"PDBC09741","654284","Present",NA,NA
+"9742","1-Methoxy-4-(methoxymethoxy)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-4-(methoxymethoxy)benzene",NA,"COCOC1=CC=C(C=C1)OC","SXAGDDZDKOILKR-UHFFFAOYSA-N",358353,NA,"PDBC09742","618320","Present",NA,NA
+"9743","1-Methoxy-4-(methyl(phenylthio)amino)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-4-(methyl(phenylthio)amino)benzene",NA,"CN(C1=CC=C(C=C1)OC)SC2=CC=CC=C2","PWKYFGITWBBXDR-UHFFFAOYSA-N",375387,NA,"PDBC09743","655059","Present",NA,NA
+"9744","1-Methoxy-4-[1,2,3-trichloro-2,3-bis(trifluoromethyl)cyclopropyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-4-[1,2,3-trichloro-2,3-bis(trifluoromethyl)cyclopropyl]benzene",NA,"COC1=CC=C(C=C1)C2(C(C2(C(F)(F)F)Cl)(C(F)(F)F)Cl)Cl","ZQYYLVJQSCABIH-UHFFFAOYSA-N",357614,NA,"PDBC09744","617138","Present",NA,NA
+"9745","1-Methoxy-5,6,7-trimethyl-5-azatetracyclo[9.2.2.02,10.04,8]pentadeca-4(8),6,12-triene-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-5,6,7-trimethyl-5-azatetracyclo[9.2.2.02,10.04,8]pentadeca-4(8),6,12-triene-3,9-dione",NA,"CC1=C(N(C2=C1C(=O)C3C4CCC(C3C2=O)(C=C4)OC)C)C","NDTURTFDFKXIBS-UHFFFAOYSA-N",393107,NA,"PDBC09745","694495","Present",NA,NA
+"9746","1-Methoxy-5-methylbicyclo[2.2.2]oct-5-ene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-5-methylbicyclo[2.2.2]oct-5-ene-2-carboxylic acid",NA,"CC1=CC2(CCC1CC2C(=O)O)OC","NVYJFKDXIWMTOS-UHFFFAOYSA-N",357748,NA,"PDBC09746","617270","Present",NA,NA
+"9747","1-Methoxy-6,6-dimethyl-6,6a,7,8-tetrahydro-9H-benzo[c]chromen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-6,6-dimethyl-6,6a,7,8-tetrahydro-9H-benzo[c]chromen-9-one",NA,"CC1(C2CCC(=O)C=C2C3=C(O1)C=CC=C3OC)C","ZYHGDNNDJMJQQZ-UHFFFAOYSA-N",373246,NA,"PDBC09747","649287","Present",NA,NA
+"9748","1-Methoxy-7,8-dimethylphenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VU0419387-1",NA,"CC1=CC2=NC3=C(C(=CC=C3)OC)N=C2C=C1C","APDKMOCVRREHQC-UHFFFAOYSA-N",372186,NA,"PDBC09748","647136","Present",NA,NA
+"9749","1-Methoxy-9H-carbazole-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Carbazole-3-carboxylic acid, 1-methoxy-",NA,"COC1=CC(=CC2=C1NC3=CC=CC=C32)C(=O)O","VZOALRHIINZPKX-UHFFFAOYSA-N",375142,NA,"PDBC09749","654276","Present",NA,NA
+"9750","1-Methoxy-N'-(1-methoxy-4-phenylisoquinoline-3-carbonyl)-4-phenylisoquinoline-3-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxy-N'-(1-methoxy-4-phenylisoquinoline-3-carbonyl)-4-phenylisoquinoline-3-carbohydrazide",NA,"COC1=NC(=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)NNC(=O)C4=C(C5=CC=CC=C5C(=N4)OC)C6=CC=CC=C6","XXKFRVWNZPWMRM-UHFFFAOYSA-N",388886,NA,"PDBC09750","684111","Present",NA,NA
+"9751","1-Methoxyindole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q63409863",NA,"CON1C=C(C2=CC=CC=C21)C=O","NFGIENSPALNOON-UHFFFAOYSA-N",398554,NA,"PDBC09751","708490","Present",NA,NA
+"9752","1-Methoxyphenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methoxyphenazine",NA,"COC1=CC=CC2=NC3=CC=CC=C3N=C21","ZYDGCYWJDWIJCS-UHFFFAOYSA-N",76137,NA,"PDBC09752","402756","Present",NA,NA
+"9753","1-Methyl 4-hydroxy-2-methyl-5-phenylpyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl 4-hydroxy-2-methyl-5-phenylpyrrole-3-carboxylate",NA,"CC1CCC(C(C1)OC(=O)C2=C(NC(=C2O)C3=CC=CC=C3)C)C(C)C","PFCVPDHSSAWHDG-UHFFFAOYSA-N",393570,NA,"PDBC09753","695639","Present",NA,NA
+"9754","1-Methyl(1,2,4)triazolium-trans-tetrachlorobis-1-methyl ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl(1,2,4)triazolium-trans-tetrachlorobis-1-methyl ...",NA,NA,NA,NA,NA,"PDBC09754","630130","Present",NA,NA
+"9755","1-Methyl-1$l^{5}-phosphinane 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1lambda5-phosphinane 1-oxide",NA,"CP1(=O)CCCCC1","QJHFNIXWDWGHAR-UHFFFAOYSA-N",357601,NA,"PDBC09755","617073","Present",NA,NA
+"9756","1-Methyl-1,10-phenanthrolin-1-ium methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1,10-phenanthrolin-1-ium methanesulfonate",NA,"C[N+]1=CC=CC2=C1C3=C(C=CC=N3)C=C2.CS(=O)(=O)[O-]","TZEYRFFPBVDGSZ-UHFFFAOYSA-M",382323,NA,"PDBC09756","669793","Present",NA,NA
+"9757","1-Methyl-1,2-dihydropyrido[3,2-e]-1,2,4-triazine-3,3(4H)-dicarboxylic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-methyl-1,4-dihydropyrido[3,2-e][1,2,4]triazine-3,3(2h)-dicarboxylate",NA,"CCOC(=O)C1(NC2=C(N=CC=C2)N(N1)C)C(=O)OCC","RZBSRCQSVKLFJF-UHFFFAOYSA-N",403846,NA,"PDBC09757","719380","Present",NA,NA
+"9758","1-Methyl-1,3,4,9-tetrahydro-beta-carbolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1,3,4,9-tetrahydro-beta-carbolin-2-ol",NA,"CC1C2=C(CCN1O)C3=CC=CC=C3N2","XWSYHMGGUVKDIH-UHFFFAOYSA-N",363035,NA,"PDBC09758","627579","Present",NA,NA
+"9759","1-Methyl-1,4,8,9-tetrahydro-2H-[1,4]dioxino[2,3-g][1,3]oxazino[4,5-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-6,13,16-trioxa-2,4-diazatetracyclo[8.8.0.03,8.012,17]octadeca-1,3(8),9,11,17-pentaene",NA,"CN1COCC2=C1N=C3C=C4C(=CC3=C2)OCCO4","AIVTZLFWKVRBHH-UHFFFAOYSA-N",391049,NA,"PDBC09759","689581","Present",NA,NA
+"9760","1-Methyl-1,5,6,8a-tetrahydro[1,3]oxazolo[3,4-a]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1,5,6,8a-tetrahydro[1,3]oxazolo[3,4-a]pyridin-3-one",NA,"CC1C2C=CCCN2C(=O)O1","DOIUQANRNPOOPX-UHFFFAOYSA-N",357875,NA,"PDBC09760","617409","Present",NA,NA
+"9761","1-Methyl-1,6-dihydro-11H-pyrazolo[3,4-a]acridin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1,6-dihydro-11H-pyrazolo[3,4-a]acridin-11-one",NA,"CN1C2=C3C(=NC4=CC=CC=C4C3=O)C=CC2=CN1","AGGOJNMJZIPNOG-UHFFFAOYSA-N",364062,NA,"PDBC09761","629702","Present",NA,NA
+"9762","1-Methyl-1-(trimethylsilyl)allene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1-(trimethylsilyl)allene",NA,"CC(=C=C)[Si](C)(C)C","BARFIQOXZWRCGW-UHFFFAOYSA-N",376772,NA,"PDBC09762","657832","Present",NA,NA
+"9763","1-Methyl-1-[(1-hydroxy-4-tert-butylcyclohexyl)methyl]-3-(4-methoxyphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Tert-butyl-1-hydroxycyclohexyl)methyl]-3-(4-methoxyphenyl)-1-methylurea",NA,"CC(C)(C)C1CCC(CC1)(CN(C)C(=O)NC2=CC=C(C=C2)OC)O","JYVLIIFYJWHLFP-UHFFFAOYSA-N",403304,NA,"PDBC09763","718010","Present",NA,NA
+"9764","1-Methyl-1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1-[2-(2-pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,"CN(CCC1=CC=CC=N1)C(=S)NN=CC2=CC=CC=N2","KQFOTJZIJFADKP-LDADJPATSA-N",9571905,NA,"PDBC09764","670780","Present",NA,NA
+"9765","1-Methyl-1-[2-[methyl-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioyl]amino]ethyl]-3-[(E)-1-(2-pyridyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1-[2-[methyl-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioyl]amino]ethyl]-3-[(E)-1-pyridin-2-ylethylideneamino]thiourea",NA,"CC(=NNC(=S)N(C)CCN(C)C(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2","AJPLVDXOZKHRDV-DFEHQXHXSA-N",9554738,NA,"PDBC09765","667880","Present",NA,NA
+"9766","1-Methyl-1-[4-(1-methylazocan-1-ium-1-yl)butyl]azocan-1-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1-[4-(1-methylazocan-1-ium-1-yl)butyl]azocan-1-ium;bromide",NA,"C[N+]1(CCCCCCC1)CCCC[N+]2(CCCCCCC2)C.[Br-]","MFXAOHPXYRAHIV-UHFFFAOYSA-M",5351731,NA,"PDBC09766","28408","Present",NA,NA
+"9767","1-Methyl-1-phenyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1-phenyl-3-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]thiourea",NA,"CC(=NNC(=S)NNC(=S)N(C)C1=CC=CC=C1)C2=CC=CC=N2","YEYJNOULIUIAFD-LDADJPATSA-N",9571796,NA,"PDBC09767","655909","Present",NA,NA
+"9768","1-Methyl-1-phenyl-5,7-diazaspiro[2.5]octane-4,6,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1-phenyl-5,7-diazaspiro[2.5]octane-4,6,8-trione",NA,"CC1(CC12C(=O)NC(=O)NC2=O)C3=CC=CC=C3","PCPBKBKGHBUCNZ-UHFFFAOYSA-N",370539,NA,"PDBC09768","643766","Present",NA,NA
+"9769","1-Methyl-1-phenylphosphinan-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1-phenylphosphinan-1-ium;iodide",NA,"C[P+]1(CCCCC1)C2=CC=CC=C2.[I-]","YJPSMZLSUQDRBQ-UHFFFAOYSA-M",357579,NA,"PDBC09769","617059","Present",NA,NA
+"9770","1-Methyl-2,3,5-tris(2-thienyl)pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2,3,5-tris(2-thienyl)pyrrole",NA,"CN1C(=CC(=C1C2=CC=CS2)C3=CC=CS3)C4=CC=CS4","MWDLLINXKFKNRR-UHFFFAOYSA-N",395491,NA,"PDBC09770","700133","Present",NA,NA
+"9771","1-Methyl-2,5-di(2-thienyl)-3-(3-thienyl)-1H-pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2,5-di(2-thienyl)-3-(3-thienyl)-1H-pyrrole",NA,"CN1C(=CC(=C1C2=CC=CS2)C3=CSC=C3)C4=CC=CS4","XHJQUARKQLCLFF-UHFFFAOYSA-N",376720,NA,"PDBC09771","657766","Present",NA,NA
+"9772","1-Methyl-2,6-diphenylpiperidin-4-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2,6-diphenylpiperidin-4-ol;hydrochloride",NA,"CN1C(CC(CC1C2=CC=CC=C2)O)C3=CC=CC=C3.Cl","UDDPZCJKMWEEPF-UHFFFAOYSA-N",54603558,NA,"PDBC09772","49910","Present",NA,NA
+"9773","1-Methyl-2,6-diphenylpiperidin-4-one-O-benzyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidine, 2,6-diphenyl-1-methyl-4-[(phenylmethoxy)imin...",NA,"CN1C(CC(=NOCC2=CC=CC=C2)CC1C3=CC=CC=C3)C4=CC=CC=C4","VUCFRUBUXMGNIA-UHFFFAOYSA-N",338334,NA,"PDBC09773","360239","Present",NA,NA
+"9774","1-Methyl-2-(1-methyl-2,2-diphenylvinyl)-3,5-pyrazolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-(1-methyl-2,2-diphenylvinyl)-3,5-pyrazolidinedione",NA,"CC(=C(C1=CC=CC=C1)C2=CC=CC=C2)N3C(=O)CC(=O)N3C","YKCOENYICWBBCF-UHFFFAOYSA-N",392576,NA,"PDBC09774","693123","Present",NA,NA
+"9775","1-Methyl-2-(10H-phenothiazin-10-yl)ethyl methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-(10H-phenothiazin-10-yl)ethyl methylcarbamate",NA,"CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)OC(=O)NC","BRPSHGIHFRMHTI-UHFFFAOYSA-N",377570,NA,"PDBC09775","659135","Present",NA,NA
+"9776","1-Methyl-2-(2-(2,4,6-trimethoxyphenyl)ethenyl)quinolinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 1-methyl-2-[2-(2,4,6-trimethoxyphenyl)ethen...",NA,"C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=C(C=C(C=C3OC)OC)OC.[I-]","BSZCJECWUBRILW-CALJPSDSSA-M",6448044,NA,"PDBC09776","166675","Present",NA,NA
+"9777","1-Methyl-2-(2-piperidin-1-ylethyl)piperidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC27476",NA,"CN1CCCCC1CCN2CCCCC2.Cl","HHTFNNFBOZCCQJ-UHFFFAOYSA-N",54598832,NA,"PDBC09777","27476","Present",NA,NA
+"9778","1-Methyl-2-(5-hexenyloxy)-5-[2-(5-hexenyloxy)phenyl]-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fumarate salt of 2-(hex-5-enyloxy)-5-(2-(hex-5-enyloxy)p...",NA,"CN1C(=CN=C1OCCCCC=C)C2=CC=CC=C2OCCCCC=C","KYNHZQLXFMOHST-UHFFFAOYSA-N",46849526,NA,"PDBC09778","763112","Present",NA,NA
+"9779","1-Methyl-2-(methylthio)-4,5-bis(hydroxymethyl)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-(methylthio)-4,5-bis(hydroxymethyl)imidazole",NA,"CN1C(=C(N=C1SC)CO)CO","UOMQKJDFWKVMSV-UHFFFAOYSA-N",361111,NA,"PDBC09779","623920","Present",NA,NA
+"9780","1-Methyl-2-[(E)-2-nitroethenyl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-[(E)-2-nitroethenyl]-1H-indole",NA,"CN1C2=CC=CC=C2C=C1C=C[N+](=O)[O-]","MFIKGARNCHFDPV-VOTSOKGWSA-N",5382055,NA,"PDBC09780","131888","Present",NA,NA
+"9781","1-Methyl-2-[2-methyl-1-(1-methylimidazol-2-yl)-2-nitro-propyl]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole, 2,2'-(2-methyl-2-nitropropylidene)bis[1-me...",NA,"CC(C)(C(C1=NC=CN1C)C2=NC=CN2C)[N+](=O)[O-]","ZDXFXEJLRGVLHR-UHFFFAOYSA-N",361750,NA,"PDBC09781","625016","Present",NA,NA
+"9782","1-Methyl-2-[[4-[3-(1H-pyrazol-4-yl)phenyl]pyrazol-1-yl]methyl]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-[[4-[3-(1H-pyrazol-4-yl)phenyl]pyrazol-1-yl]methyl]imidazole",NA,"CN1C=CN=C1CN2C=C(C=N2)C3=CC=CC(=C3)C4=CNN=C4","KZHCXMZUUBLUOL-UHFFFAOYSA-N",361758,NA,"PDBC09782","625024","Present",NA,NA
+"9783","1-Methyl-2-[benzoyl(ethoxycarbonyl)-methylene]imidazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-[benzoyl(ethoxycarbonyl)-methylene]imidazolidine",NA,"CCOC(=O)C(=C(C1=CC=CC=C1)O)C2=NCCN2C","FZXJGYVFLFMFOR-SEYXRHQNSA-N",135499221,NA,"PDBC09783","645057","Present",NA,NA
+"9784","1-Methyl-2-methylsulfanyl-6,7-bis(2-thienyl)pteridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-methylsulfanyl-6,7-bis(2-thienyl)pteridin-4-one",NA,"CN1C2=C(C(=O)N=C1SC)N=C(C(=N2)C3=CC=CS3)C4=CC=CS4","OVMXPUXYGUDJPL-UHFFFAOYSA-N",394288,NA,"PDBC09784","697655","Present",NA,NA
+"9785","1-Methyl-2-methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)purin-6-one",NA,"CN1C(=O)C2=C(N=C1SC)N(C=N2)C3C(C(C(CO3)O)O)O","UJFIYPFEIVGXBG-UHFFFAOYSA-N",361529,NA,"PDBC09785","624653","Present",NA,NA
+"9786","1-Methyl-2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]purin-6-one",NA,"CN1C(=O)C2=C(N=C1SC)N(C=N2)C3C(C(C(C(O3)CO)O)O)O","FMYIGYIGNUAPIW-UHFFFAOYSA-N",361530,NA,"PDBC09786","624654","Present",NA,NA
+"9787","1-Methyl-2-oxo-4-prop-2-ynyloxy-1,2-dihydro-quinoline-3-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-methyl-2-oxo-4-(prop-2-yn-1-yloxy)-1,2-dihydroquinoline-3-carboxylate",NA,"CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)OCC#C","XDEZMBRUWBJTQN-UHFFFAOYSA-N",365758,NA,"PDBC09787","633787","Present",NA,NA
+"9788","1-Methyl-2-p-carboxyphenoxymethyl-o-carborane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-p-carboxyphenoxymethyl-o-carborane",NA,NA,NA,NA,NA,"PDBC09788","676531","Present",NA,NA
+"9789","1-Methyl-2-p-dimethylamino-styryl-quinolinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2m2m",NA,"C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[I-]","VGLNXCCOYCGRLG-UHFFFAOYSA-M",5713121,NA,"PDBC09789","4238","Present",NA,NA
+"9790","1-Methyl-2-phenylpyrido[1,2-a]benzimidazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-phenylpyrido[1,2-a]benzimidazol-4-ol",NA,"CC1=C(C=C(C2=NC3=CC=CC=C3N12)O)C4=CC=CC=C4","WJQRGKKWFXPXMV-UHFFFAOYSA-N",384466,NA,"PDBC09790","674268","Present",NA,NA
+"9791","1-Methyl-2-pyrrolidinylidenecyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-(1-Methylpyrrolidin-2-ylidene)cyanamide",NA,"CN1CCCC1=NC#N","JLOFNSGMKXFDDU-UHFFFAOYSA-N",379672,NA,"PDBC09791","664551","Present",NA,NA
+"9792","1-Methyl-2-thioxo-6-(4-ethylanilino)-1,2-dihydropyrimidine-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uracil,6-[(4-ethylphenyl)amino]-1-methyl-2-thio-",NA,"CCC1=CC=C(C=C1)NC2=CC(=O)NC(=S)N2C","LUOOKDJUIMWHCK-UHFFFAOYSA-N",3771604,NA,"PDBC09792","622185","Present",NA,NA
+"9793","1-Methyl-20-oxapentacyclo[14.3.1.02,15.04,13.06,11]icosa-4,6,8,10,12-pentaene-3,14,17-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-20-oxapentacyclo[14.3.1.02,15.04,13.06,11]icosa-4,6,8,10,12-pentaene-3,14,17-trione",NA,"CC12CCC(=O)C(O1)C3C2C(=O)C4=CC5=CC=CC=C5C=C4C3=O","CPKJQMAWBKOKKC-UHFFFAOYSA-N",406702,NA,"PDBC09793","724967","Present",NA,NA
+"9794","1-Methyl-24-oxahexacyclo[18.3.1.02,19.04,17.05,14.08,13]tetracosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-24-oxahexacyclo[18.3.1.02,19.04,17.05,14.08,13]tetracosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione",NA,"CC12CCC(=O)C(O1)C3C2C(=O)C4=C(C3=O)C=CC5=C4C=CC6=CC=CC=C65","QGTJSEGVNXFZKB-UHFFFAOYSA-N",406703,NA,"PDBC09794","724968","Present",NA,NA
+"9795","1-Methyl-2[(4-chlorobenzoyl)methylene]benzimidazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2[(4-chlorobenzoyl)methylene]benzimidazoline",NA,"CN1C2=CC=CC=C2N=C1C=C(C3=CC=C(C=C3)Cl)O","IJJHPNDNBYYCGB-GDNBJRDFSA-N",135427247,NA,"PDBC09795","645061","Present",NA,NA
+"9796","1-Methyl-3,4-dihydro-1H-[1,3]thiazino[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3,4-dihydro-1H-[1,3]thiazino[3,4-a]benzimidazole",NA,"CC1N2C(=NC3=CC=CC=C32)CCS1","CJAPKFLFKHWZOA-UHFFFAOYSA-N",395903,NA,"PDBC09796","700998","Present",NA,NA
+"9797","1-Methyl-3,5-dithiophen-2-yl-2-thiophen-3-ylpyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3,5-bis(2-thienyl)-2-(3-thienyl)pyrrole",NA,"CN1C(=CC(=C1C2=CSC=C2)C3=CC=CS3)C4=CC=CS4","QXASDZSZSFDGGY-UHFFFAOYSA-N",395550,NA,"PDBC09797","700243","Present",NA,NA
+"9798","1-Methyl-3-((3-(methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[[3-(methylthio)-4-quinolinyl]thio]-4(1H)- qu...",NA,"CN1C=C(C(=O)C2=CC=CC=C21)SC3=C(C=NC4=CC=CC=C43)SC","QNJWLZWBRUDNGL-UHFFFAOYSA-N",373249,NA,"PDBC09798","649313","Present",NA,NA
+"9799","1-Methyl-3-(2-methylimino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-(2-methylimino-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]thiazin-4-yl)thiourea",NA,"CNC(=S)NC1=C2C3=C(CCCC3)SC2=NC(=NC)S1","MRTONXYDRNSROB-UHFFFAOYSA-N",3267867,NA,"PDBC09799","679233","Present",NA,NA
+"9800","1-Methyl-3-(2-methylsulfanylbenzimidazol-1-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-(2-methylsulfanylbenzimidazol-1-yl)urea",NA,"CNC(=O)NN1C2=CC=CC=C2N=C1SC","KLJBHHNXLGZCQM-UHFFFAOYSA-N",394302,NA,"PDBC09800","697669","Present",NA,NA
+"9801","1-Methyl-3-(2-phenyl-1,3-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-methyl-3-(2-phenyl-1,3-thiazol-4-yl)-1H-pyrrolo[2,3-b]...",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC=CC=C4","ITJNGALQQZWDTH-UHFFFAOYSA-N",53361433,NA,"PDBC09801","749860","Present",NA,NA
+"9802","1-Methyl-3-(2-thiiranylmethyl)-1,3-dihydro-2H-benzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-(2-thiiranylmethyl)-1,3-dihydro-2H-benzimidazol-2-one",NA,"CN1C2=CC=CC=C2N(C1=O)CC3CS3","XJXHNEXIORRGTH-UHFFFAOYSA-N",374915,NA,"PDBC09802","653500","Present",NA,NA
+"9803","1-Methyl-3-(3-methyl-3-selenetanyl)-1,3-dihydro-2H-benzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-(3-methyl-3-selenetanyl)-1,3-dihydro-2H-benzimidazol-2-one",NA,"CC1(C[Se]C1)N2C3=CC=CC=C3N(C2=O)C","ZOCXWHGCOHGDFJ-UHFFFAOYSA-N",374922,NA,"PDBC09803","653507","Present",NA,NA
+"9804","1-Methyl-3-(3-methyl-3-thietanyl)-1,3-dihydro-2H-benzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-(3-methyl-3-thietanyl)-1,3-dihydro-2H-benzimidazol-2-one",NA,"CC1(CSC1)N2C3=CC=CC=C3N(C2=O)C","XTTXQOOSUDFEGP-UHFFFAOYSA-N",374918,NA,"PDBC09804","653503","Present",NA,NA
+"9805","1-Methyl-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-(4-methylphenyl)pyrazino[1,2-a]benzimidazole",NA,"CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C","FPKHOXPCSMHJHA-UHFFFAOYSA-N",384469,NA,"PDBC09805","674271","Present",NA,NA
+"9806","1-Methyl-3-(4-nitrophenyl)pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-(4-nitrophenyl)pyrazino[1,2-a]benzimidazole",NA,"CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]","WOZYONMVXACFMM-UHFFFAOYSA-N",384472,NA,"PDBC09806","674274","Present",NA,NA
+"9807","1-Methyl-3-(methylsulfinyl)-2-(methylthio)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-(methylsulfinyl)-2-(methylthio)-1H-indole",NA,"CN1C2=CC=CC=C2C(=C1SC)S(=O)C","HWEHHJSDALVSHI-UHFFFAOYSA-N",379533,NA,"PDBC09807","664206","Present",NA,NA
+"9808","1-Methyl-3-[(1-methyl-2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[(1-methyl-2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one",NA,"CN1C2=CC=CC=C2C(=C1Cl)C=C3C4=CC=CC=C4N(C3=O)C","FSSPYJWODXQJLZ-RVDMUPIBSA-N",24203157,NA,"PDBC09808","726906","Present",NA,NA
+"9809","1-Methyl-3-[(2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[(2-chloro-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one",NA,"CN1C2=CC=CC=C2C(=CC3=C(NC4=CC=CC=C43)Cl)C1=O","CXZKAEUTBZROPA-GXDHUFHOSA-N",24203156,NA,"PDBC09809","726905","Present",NA,NA
+"9810","1-Methyl-3-[(2-chloro-5-methoxy-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[(2-chloro-5-methoxy-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one",NA,"CN1C2=CC=CC=C2C(=CC3=C(NC4=C3C=C(C=C4)OC)Cl)C1=O","YWVBGMWUFIOPCL-XNTDXEJSSA-N",10759489,NA,"PDBC09810","726895","Present",NA,NA
+"9811","1-Methyl-3-[(6-methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[(6-methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea",NA,"CC1=C(N2C=CSC2=N1)C(=O)NNC(=S)NC","QAGCSZMGRHTHGV-UHFFFAOYSA-N",3001071,NA,"PDBC09811","649048","Present",NA,NA
+"9812","1-Methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1-[2-(2-pyridyl)ethyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]-1-[2-(2-pyridyl)ethyl]thiourea",NA,"CC1=NC(=CC=C1)C=NNC(=S)N(C)CCC2=CC=CC=N2","VXLQGSTWRCRJRA-LDADJPATSA-N",9571920,NA,"PDBC09812","670968","Present",NA,NA
+"9813","1-Methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,"CC1=NC(=CC=C1)C=NNC(=S)NC","VLDWATHTVJFAMU-IZZDOVSWSA-N",9554736,NA,"PDBC09813","667873","Present",NA,NA
+"9814","1-Methyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]-1-[2-(2-pyridyl)ethyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[(E)-[phenyl(2-pyridyl)methylene]amino]-1-[2-(2-pyridyl)ethyl]thiourea",NA,"CN(CCC1=CC=CC=N1)C(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","WMWKYCLHXOCJDY-HIXSDJFHSA-N",9571617,NA,"PDBC09814","689532","Present",NA,NA
+"9815","1-Methyl-3-[(Z)-2-nitroethenyl]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[(Z)-2-nitroethenyl]indole",NA,"CN1C=C(C2=CC=CC=C21)C=C[N+](=O)[O-]","RZJUMQWTXIXIMY-SREVYHEPSA-N",1551121,NA,"PDBC09815","106246","Present",NA,NA
+"9816","1-Methyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[(Z)-[1-(morpholinomethyl)-5-nitro-2-oxo-indolin-3-ylidene]amino]thiourea",NA,"CNC(=S)N=NC1=C(N(C2=C1C=C(C=C2)[N+](=O)[O-])CN3CCOCC3)O","BECVKWUOGXBCEZ-UHFFFAOYSA-N",135426794,NA,"PDBC09816","718640","Present",NA,NA
+"9817","1-Methyl-3-[2-(4-methylphenyl)-1,3-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-methyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]-1H-pyrr...",NA,"CC1=CC=C(C=C1)C2=NC(=CS2)C3=CN(C4=C3C=CC=N4)C","MZZXBWPHBZYMOK-UHFFFAOYSA-N",53361471,NA,"PDBC09817","749870","Present",NA,NA
+"9818","1-Methyl-3-[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]indole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[4-(2-tetrahydropyran-2-yloxyethyl)phenyl]indole-4-carbonitrile",NA,"CN1C=C(C2=C(C=CC=C21)C#N)C3=CC=C(C=C3)CCOC4CCCCO4","JTXWFGCXVHYEDK-UHFFFAOYSA-N",388277,NA,"PDBC09818","682918","Present",NA,NA
+"9819","1-Methyl-3-[5-(1-methylindol-3-yl)pyrazin-2-yl]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[5-(1-methylindol-3-yl)pyrazin-2-yl]indole",NA,"CN1C=C(C2=CC=CC=C21)C3=CN=C(C=N3)C4=CN(C5=CC=CC=C54)C","KZSUMFYTSVZIRZ-UHFFFAOYSA-N",396516,NA,"PDBC09819","702756","Present",NA,NA
+"9820","1-Methyl-3-[5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1H-pyrrol-2-yl]pyrrolo[2,3-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-(1H-pyrrole-2,5-diyl)bis(1-methyl-1H-pyrrolo[2,3-b]...",NA,"CN1C=C(C2=C1N=CC=C2)C3=CC=C(N3)C4=CN(C5=C4C=CC=N5)C","RVCGJSPHBMELOP-UHFFFAOYSA-N",155805321,NA,"PDBC09820","778410","Present",NA,NA
+"9821","1-Methyl-3-[[9-(p-tolyl)purin-6-yl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[[9-(p-tolyl)purin-6-yl]amino]thiourea",NA,"CC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)NNC(=S)NC","QNURNQJOGPWIGI-UHFFFAOYSA-N",3001719,NA,"PDBC09821","667704","Present",NA,NA
+"9822","1-Methyl-3-benzoyl-5-(trimethylsilylethynyl)-6-iodouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-benzoyl-5-(trimethylsilylethynyl)-6-iodouracil",NA,"CN1C(=C(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)C#C[Si](C)(C)C)I","NNGVFEDFUJFJCB-UHFFFAOYSA-N",45028653,NA,"PDBC09822","743560","Present",NA,NA
+"9823","1-Methyl-3-methylsulfanylpyridazin-1-ium-4,5-diamine;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690588",NA,"C[N+]1=NC(=C(C(=C1)N)N)SC.[I-]","AYRRAUZFRSJLFP-UHFFFAOYSA-N",391415,NA,"PDBC09823","690588","Present",NA,NA
+"9824","1-Methyl-3-octadecylimidazolium bis(trifluoromethylsulfonyl)imide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-octadecylimidazolium bis(trifluoromethylsulfo...",NA,"CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F","DMEDSJKEUMLSKF-UHFFFAOYSA-N",46191760,NA,"PDBC09824","747271","Present",NA,NA
+"9825","1-Methyl-3-octadecylimidazolium hexafluorophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-octadecylimidazolium hexafluorophosphate",NA,NA,NA,NA,NA,"PDBC09825","747270","Present",NA,NA
+"9826","1-Methyl-3-octadecylimidazolium tris(pentafluoroethyl)trifluorophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-octadecylimidazolium tris(pentafluoroethyl)tr...",NA,"CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(C(F)(F)[P-](C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)(F)F)(F)(F)F","MWCBXOFCMFFOQR-UHFFFAOYSA-N",46191761,NA,"PDBC09826","747272","Present",NA,NA
+"9827","1-Methyl-3-phenyl-1,5-dihydro-2H-chromeno[4,3-b]pyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-phenyl-1,5-dihydro-2H-chromeno[4,3-b]pyridin-2-one",NA,"CN1C2=C(COC3=CC=CC=C32)C=C(C1=O)C4=CC=CC=C4","NWHBOPNLOKVPEM-UHFFFAOYSA-N",370998,NA,"PDBC09827","644859","Present",NA,NA
+"9828","1-Methyl-3-phenyl-2,5-bis(2-thienyl)pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-phenyl-2,5-bis(2-thienyl)pyrrole",NA,"CN1C(=CC(=C1C2=CC=CS2)C3=CC=CC=C3)C4=CC=CS4","MNWIRETYJBMPHC-UHFFFAOYSA-N",395552,NA,"PDBC09828","700245","Present",NA,NA
+"9829","1-Methyl-3-phenylanthra[1,9-bc]thiopyran-3-ium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthra[1,9-bc]thiopyranium, 1-methyl-3-phenyl-, chloride",NA,"CC1=C[S+](C2=CC=CC3=CC4=CC=CC=C4C1=C32)C5=CC=CC=C5.[Cl-]","VMKSVEZAPHWOQO-UHFFFAOYSA-M",24193713,NA,"PDBC09829","156526","Present",NA,NA
+"9830","1-Methyl-3-phenylpyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AJ-131/36477015",NA,"CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=CC=C4","OZEPKGBSALEXRT-UHFFFAOYSA-N",384468,NA,"PDBC09830","674270","Present",NA,NA
+"9831","1-Methyl-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Defenuron",NA,"CNC(=O)NC1=CC=CC=C1","SQBHGDSDVWCPHN-UHFFFAOYSA-N",13880,NA,"PDBC09831","10989","Present",NA,NA
+"9832","1-Methyl-3-piperidinyl 2-(1,3-cyclohexadien-1-yl)-2-hydroxy-3-pentynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-piperidinyl 2-(1,3-cyclohexadien-1-yl)-2-hydroxy-3-pentynoate",NA,"CC#CC(C1=CC=CCC1)(C(=O)OC2CCCN(C2)C)O","OJQQONOUYPXIHS-UHFFFAOYSA-N",380244,NA,"PDBC09832","665724","Present",NA,NA
+"9833","1-Methyl-3-piperidinyl 2-hydroxy-2,4-diphenyl-3-butynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-piperidinyl 2-hydroxy-2,4-diphenyl-3-butynoate",NA,"CN1CCCC(C1)OC(=O)C(C#CC2=CC=CC=C2)(C3=CC=CC=C3)O","UZJHZUSRSMFKQK-UHFFFAOYSA-N",380214,NA,"PDBC09833","665688","Present",NA,NA
+"9834","1-Methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"CC1N2C(=NC3=CC=CC=C32)CS1","LWMCALUODNGSKW-UHFFFAOYSA-N",382381,NA,"PDBC09834","669939","Present",NA,NA
+"9835","1-Methyl-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,4S,10R,12S)-6-Methyl-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene",NA,"CC1=C2C3C(O3)C4=CC=CC5=C4C2=C(C=C1)C6C5O6","DATVPJORPPJYMB-HZMVEIRTSA-N",397372,NA,"PDBC09835","705025","Present",NA,NA
+"9836","1-Methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole",NA,"CC1=NCCC2=CC3=C(C=C12)C4=CC=CC=C4N3","IPFHPGYODRLHBL-UHFFFAOYSA-N",284986,NA,"PDBC09836","141527","Present",NA,NA
+"9837","1-Methyl-4-((1,4,4-tris((4-methylphenyl)thio)butyl)thio)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-((1,4,4-tris((4-methylphenyl)thio)butyl)thio)benzene",NA,"CC1=CC=C(C=C1)SC(CCC(SC2=CC=C(C=C2)C)SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C","NBQPHQYQQFSFNO-UHFFFAOYSA-N",361773,NA,"PDBC09837","625039","Present",NA,NA
+"9838","1-Methyl-4-((4-(4-methyl-1-piperazinyl)-3-pyridinyl)sulfonyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-((4-(4-methyl-1-piperazinyl)-3-pyridinyl)sulfonyl)piperazine",NA,"CN1CCN(CC1)C2=C(C=NC=C2)S(=O)(=O)N3CCN(CC3)C","IQVDNALPFKJGIF-UHFFFAOYSA-N",322292,NA,"PDBC09838","279184","Present",NA,NA
+"9839","1-Methyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile",NA,"CN1C=NC(=C(C1=S)C#N)N2CCCC2","AXCBIADDWGMIRB-UHFFFAOYSA-N",385032,NA,"PDBC09839","675885","Present",NA,NA
+"9840","1-Methyl-4-(13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-(13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)piperazine",NA,"CN1CCN(CC1)P2(=S)OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65","DCUIILHJCGVRLW-UHFFFAOYSA-N",360388,NA,"PDBC09840","622453","Present",NA,NA
+"9841","1-Methyl-4-(2-(5-methyl-2-oxocyclohexyl)-2-oxoethyl)-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-(2-(5-methyl-2-oxocyclohexyl)-2-oxoethyl)-2,6-piperidinedione",NA,"CC1CCC(=O)C(C1)C(=O)CC2CC(=O)N(C(=O)C2)C","SGUKJAITBUHBRR-UHFFFAOYSA-N",386124,NA,"PDBC09841","677756","Present",NA,NA
+"9842","1-Methyl-4-(2-(methylsulfonyl)hydrazono)-2-phenyl-1,4-dihydroquinoline-6-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-1-Methyl-4-(methylsulfonylhydrazinylidene)-2-phenylquinoline-6-sulfonic acid",NA,"CN1C2=C(C=C(C=C2)S(=O)(=O)O)C(=NNS(=O)(=O)C)C=C1C3=CC=CC=C3","NCTIDJBXOKKDPP-OBGWFSINSA-N",5876827,NA,"PDBC09842","308791","Present",NA,NA
+"9843","1-Methyl-4-(2-oxo-2-(2-oxocyclohexyl)ethyl)-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-(2-oxo-2-(2-oxocyclohexyl)ethyl)-2,6-piperidinedione",NA,"CN1C(=O)CC(CC1=O)CC(=O)C2CCCCC2=O","MOCMGDQVYCKPOY-UHFFFAOYSA-N",359828,NA,"PDBC09843","621395","Present",NA,NA
+"9844","1-Methyl-4-(3-methylimidazol-3-ium-1-yl)-6-oxopyrimidin-2-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-(3-methylimidazol-3-ium-1-yl)-6-oxo-pyrimidin-2-olate",NA,"CN1C(=O)C=C(N=C1[O-])N2C=C[N+](=C2)C","BAMGJVKKEYCJCG-UHFFFAOYSA-N",399025,NA,"PDBC09844","709444","Present",NA,NA
+"9845","1-Methyl-4-(4-(4-methyl-2,5-diphenyl-1-piperazinyl)butyl)-2,5-diphenylpiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-(4-(4-methyl-2,5-diphenyl-1-piperazinyl)butyl)-2,5-diphenylpiperazine",NA,"CN1CC(N(CC1C2=CC=CC=C2)CCCCN3CC(N(CC3C4=CC=CC=C4)C)C5=CC=CC=C5)C6=CC=CC=C6","AWZHEVVDEMZIDF-UHFFFAOYSA-N",380064,NA,"PDBC09845","665365","Present",NA,NA
+"9846","1-Methyl-4-(trityloxy)butyl 3,5-bis(hydroxy(oxido)amino)phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-(trityloxy)butyl 3,5-bis(hydroxy(oxido)amino)phenylcarbamate",NA,"CC(CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)NC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","IARQFFMHMODHMK-UHFFFAOYSA-N",371699,NA,"PDBC09846","646149","Present",NA,NA
+"9847","1-Methyl-4-(trityloxy)butyl phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-(trityloxy)butyl phenylcarbamate",NA,"CC(CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)NC4=CC=CC=C4","YILFDYHDKCFLPX-UHFFFAOYSA-N",371700,NA,"PDBC09847","646150","Present",NA,NA
+"9848","1-Methyl-4-P-dimethylamino-styryl-quinolinium-iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4m2m",NA,"C[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[I-]","VPDGOEIXZLKJNH-UHFFFAOYSA-M",12605846,NA,"PDBC09848","4239","Present",NA,NA
+"9849","1-Methyl-4-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)methyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-[(2,3,4,5-tetrachlorocyclopenta-2,4-dien-1-ylidene)methyl]benzene",NA,"CC1=CC=C(C=C1)C=C2C(=C(C(=C2Cl)Cl)Cl)Cl","GLCNSQWOANYMNW-UHFFFAOYSA-N",230812,NA,"PDBC09849","26112","Present",NA,NA
+"9850","1-Methyl-4-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]quinolin-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 1-methyl-4-[2-(2,4,5-trimethoxyphenyl)ethen...",NA,"C[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC(=C(C=C3OC)OC)OC.[I-]","MKIDJORWLCQRKI-RRABGKBLSA-M",20832444,NA,"PDBC09850","180260","Present",NA,NA
+"9851","1-Methyl-4-[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]quinolin-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 1-methyl-4-[2-(2,4,6-trimethoxyphenyl)ethen...",NA,"C[N+]1=CC=C(C2=CC=CC=C21)C=CC3=C(C=C(C=C3OC)OC)OC.[I-]","PZJGTAYMFXHBRM-RRABGKBLSA-M",20832445,NA,"PDBC09851","186945","Present",NA,NA
+"9852","1-Methyl-4-[(E)-3-(1-methylpyridin-1-ium-4-yl)but-2-en-2-yl]pyridin-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-[(E)-3-(1-methylpyridin-1-ium-4-yl)but-2-en-2-yl]pyridin-1-ium;iodide",NA,"CC(=C(C)C1=CC=[N+](C=C1)C)C2=CC=[N+](C=C2)C.[I-]","GSIVDXHKCZQHBF-IERUDJENSA-M",54608538,NA,"PDBC09852","649485","Present",NA,NA
+"9853","1-Methyl-4-[2-(trifluoromethylsulfonyl)ethynyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Methylphenyl)ethynyl trifluoromethyl sulfone",NA,"CC1=CC=C(C=C1)C#CS(=O)(=O)C(F)(F)F","KQUPPVAQYMLSBV-UHFFFAOYSA-N",362876,NA,"PDBC09853","627321","Present",NA,NA
+"9854","1-Methyl-4-nitro-5-(1,3-thiazolo[5,4-b]pyridin-2-ylthio)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-nitro-5-(1,3-thiazolo[5,4-b]pyridin-2-ylthio)imidazole",NA,"CN1C=NC(=C1SC2=NC3=C(S2)N=CC=C3)[N+](=O)[O-]","BSVOCIDPCXVXDZ-UHFFFAOYSA-N",364610,NA,"PDBC09854","631138","Present",NA,NA
+"9855","1-Methyl-4-oxo-5,10-dimethoxy-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5,10-dimethoxy-1-methyl-4-oxo-1,4-dihydrobenzo[g]quinoline-3-carboxylate",NA,"CCOC(=O)C1=CN(C2=C(C3=CC=CC=C3C(=C2C1=O)OC)OC)C","CMCUGCVESSBXGT-UHFFFAOYSA-N",406556,NA,"PDBC09855","724704","Present",NA,NA
+"9856","1-Methyl-4-oxo-5-hydroxy-10-methoxy-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-oxo-5-hydroxy-10-methoxy-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid",NA,"CN1C=C(C(=O)C2=C(C3=CC=CC=C3C(=C21)OC)O)C(=O)O","SAVRPQBBCWXLPY-UHFFFAOYSA-N",5473265,NA,"PDBC09856","724703","Present",NA,NA
+"9857","1-Methyl-4-phenylazocane-4-carbonitrile;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC401418",NA,"CN1CCCCC(CC1)(C#N)C2=CC=CC=C2.Cl","SUCQCWGQDMOGMY-UHFFFAOYSA-N",24200820,NA,"PDBC09857","401418","Present",NA,NA
+"9858","1-Methyl-4-piperidinyl (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)(hydroxy)phenylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-4-piperidinyl (2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)(hydroxy)phenylacetate",NA,"CC1(CC2=C(O1)C(=CC=C2)C(C3=CC=CC=C3)(C(=O)OC4CCN(CC4)C)O)C","RQMRNZXYQULMBL-UHFFFAOYSA-N",380213,NA,"PDBC09858","665686","Present",NA,NA
+"9859","1-Methyl-4-piperidinyl 4-methylbenzenesulfonate 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinol, 1-methyl-, 4-methylbenzenesulfonate (este...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC=C(C=C1)S(=O)(=O)OC2CCN(CC2)C","OCXAOPKCZQPJAQ-UHFFFAOYSA-N",287332,NA,"PDBC09859","147109","Present",NA,NA
+"9860","1-Methyl-4-piperidyl 2-pyridyl(1-propynyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-131623",NA,"CC#CC(C1=CC=CC=N1)(C(=O)OC2CCN(CC2)C)O","FRHRRFHZXFZKJA-UHFFFAOYSA-N",380377,NA,"PDBC09860","665894","Present",NA,NA
+"9861","1-Methyl-4-piperidyl 5-isothiazyl(phenyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-86269",NA,"CN1CCC(CC1)OC(=O)C(C2=CC=CC=C2)(C3=CC=NS3)O","DUBGPZZEEYRMDD-UHFFFAOYSA-N",58705,NA,"PDBC09861","665882","Present",NA,NA
+"9862","1-Methyl-4-piperidyl cyclohexyl(1-propynyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-56875",NA,"CC#CC(C1CCCCC1)(C(=O)OC2CCN(CC2)C)O","KYEFWBWWXAMWAJ-UHFFFAOYSA-N",380034,NA,"PDBC09862","665328","Present",NA,NA
+"9863","1-Methyl-4-piperidyl cyclohexyl(4-methyl-1-butynyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-56858",NA,"CCCC#CC(C1CCCCC1)(C(=O)OC2CCN(CC2)C)O","FJMAJRUJYYJVLU-UHFFFAOYSA-N",380276,NA,"PDBC09863","665755","Present",NA,NA
+"9864","1-Methyl-4-piperidyl cyclopentyl(cis-1-butenyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665745",NA,"CCC=CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O","KZQMQKXFKZZRSP-WCIBSUBMSA-N",5468174,NA,"PDBC09864","665745","Present",NA,NA
+"9865","1-Methyl-5,10-diphenyl-3,12-dioxa-4,6,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-4,7,10-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-5,10-diphenyl-3,12-dioxa-4,6,9,11-tetrazatricyclo[7.3.0.02,6]dodeca-4,7,10-triene",NA,"CC12C3N(C=CN1C(=NO2)C4=CC=CC=C4)C(=NO3)C5=CC=CC=C5","PPVNWPZQHMZSPH-UHFFFAOYSA-N",394220,NA,"PDBC09865","697507","Present",NA,NA
+"9866","1-Methyl-5-(1-hexynyl)-6-iodouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-5-(1-hexynyl)-6-iodouracil",NA,"CCCCC#CC1=C(N(C(=O)NC1=O)C)I","FORKAPQDIYLFDI-UHFFFAOYSA-N",15476976,NA,"PDBC09866","743561","Present",NA,NA
+"9867","1-Methyl-5-(2-methyl-1-aziridinyl)-3-(hydroxymethyl)-1H-indole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"23-(hydroxymethyl)-5-(2-methylaziridin-1-yl)-1-methylind...",NA,"CC1CN1C2=CC(=O)C3=C(C2=O)C(=CN3C)CO","JOCMROYVEUOFBY-UHFFFAOYSA-N",10610417,NA,"PDBC09867","732424","Present",NA,NA
+"9868","1-Methyl-5-(2-thienyl)-2,3-di(3-thienyl)-1H-pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-5-(2-thienyl)-2,3-di(3-thienyl)-1H-pyrrole",NA,"CN1C(=CC(=C1C2=CSC=C2)C3=CSC=C3)C4=CC=CS4","MIGASLJKTIWJML-UHFFFAOYSA-N",376721,NA,"PDBC09868","657767","Present",NA,NA
+"9869","1-Methyl-5-(trimethylsilylethynyl)-6-iodouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-5-(trimethylsilylethynyl)-6-iodouracil",NA,"CN1C(=C(C(=O)NC1=O)C#C[Si](C)(C)C)I","WJUICXGQWVPDEB-UHFFFAOYSA-N",45028650,NA,"PDBC09869","743557","Present",NA,NA
+"9870","1-Methyl-5-[4-[1-methyl-4,5-bis(2-thienyl)pyrrol-2-yl]phenyl]-2,3-bis(2-thienyl)pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-5-[4-[1-methyl-4,5-bis(2-thienyl)pyrrol-2-yl]phenyl]-2,3-bis(2-thienyl)pyrrole",NA,"CN1C(=CC(=C1C2=CC=CS2)C3=CC=CS3)C4=CC=C(C=C4)C5=CC(=C(N5C)C6=CC=CS6)C7=CC=CS7","GFMRRPZEFCBCNZ-UHFFFAOYSA-N",376727,NA,"PDBC09870","657773","Present",NA,NA
+"9871","1-Methyl-5-nitro-3-phenyl-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,2,4-Triazole, 1-methyl-5-nitro-3-phenyl-",NA,"CN1C(=NC(=N1)C2=CC=CC=C2)[N+](=O)[O-]","NFBMECIYSPOVDT-UHFFFAOYSA-N",297981,NA,"PDBC09871","169547","Present",NA,NA
+"9872","1-Methyl-5-phenyl-2,3-bis(3-thienyl)pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-5-phenyl-2,3-bis(3-thienyl)pyrrole",NA,"CN1C(=CC(=C1C2=CSC=C2)C3=CSC=C3)C4=CC=CC=C4","KCPOPPGZZFNTNU-UHFFFAOYSA-N",395546,NA,"PDBC09872","700239","Present",NA,NA
+"9873","1-Methyl-5-phenyl-2,3-dithiophen-2-ylpyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-5-phenyl-2,3-dithiophen-2-ylpyrrole",NA,"CN1C(=CC(=C1C2=CC=CS2)C3=CC=CS3)C4=CC=CC=C4","VTFMIJLUDAXCPG-UHFFFAOYSA-N",359203,NA,"PDBC09873","619913","Present",NA,NA
+"9874","1-Methyl-5-phenyl-3-(2-thienyl)-2-(3-thienyl)pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-5-phenyl-3-(2-thienyl)-2-(3-thienyl)pyrrole",NA,"CN1C(=CC(=C1C2=CSC=C2)C3=CC=CS3)C4=CC=CC=C4","SMERUGNPAPVBBB-UHFFFAOYSA-N",395545,NA,"PDBC09874","700238","Present",NA,NA
+"9875","1-Methyl-5-phenyl-7-(trifluoromethyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-5-phenyl-7-(trifluoromethyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one",NA,"CN1C2=C(N=C(C=C2C(F)(F)F)C3=CC=CC=C3)OC1=O","XJKKMCNMEYTIGT-UHFFFAOYSA-N",394921,NA,"PDBC09875","699022","Present",NA,NA
+"9876","1-Methyl-6,8-bis(4-methylphenyl)-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-6,8-bis(4-methylphenyl)-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,"CC1=CC=C(C=C1)N2C(=O)C3(N(N=CS3)C)N(C2=O)C4=CC=C(C=C4)C","AYWHLUFQWFIPTF-UHFFFAOYSA-N",364469,NA,"PDBC09876","630736","Present",NA,NA
+"9877","1-Methyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-6,8-diphenyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,"CN1C2(C(=O)N(C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)SC=N1","BUSZCAPEDRBNFE-UHFFFAOYSA-N",363958,NA,"PDBC09877","629495","Present",NA,NA
+"9878","1-Methyl-6-(1-propoxyethoxy)-3-hexynyl 3,3,3-trichloropropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-6-(1-propoxyethoxy)-3-hexynyl 3,3,3-trichloropropanoate",NA,"CCCOC(C)OCCC#CCC(C)OC(=O)CC(Cl)(Cl)Cl","FRMWUTYHVZATCK-UHFFFAOYSA-N",381428,NA,"PDBC09878","668016","Present",NA,NA
+"9879","1-Methyl-6-(2-phenylhydrazino)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-6-(2-phenylhydrazino)-2,4(1H,3H)-pyrimidinedione",NA,"CN1C(=CC(=O)NC1=O)NNC2=CC=CC=C2","PLRXHDHDDVWXKA-UHFFFAOYSA-N",385875,NA,"PDBC09879","677275","Present",NA,NA
+"9880","1-Methyl-6-oxo-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-6-oxo-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile",NA,"CN1C=NC(=C(C1=O)C#N)N2CCCC2","QBKTZHXMSXOHMN-UHFFFAOYSA-N",385031,NA,"PDBC09880","675884","Present",NA,NA
+"9881","1-Methyl-6-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-6-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one",NA,"CN1C2=C(C=N1)C(=O)NC(=N2)C3=CC=CC=C3","HHFJVXPADRAPAY-UHFFFAOYSA-N",135455617,NA,"PDBC09881","619157","Present",NA,NA
+"9882","1-Methyl-6-phenyl-7,12-pleiadenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-6-phenyl-7,12-pleiadenedione",NA,"CC1=C2C3=C(C=C1)C=CC(=C3C(=O)C4=CC=CC=C4C2=O)C5=CC=CC=C5","IPGFYNSYRXBKTQ-UHFFFAOYSA-N",363316,NA,"PDBC09882","628136","Present",NA,NA
+"9883","1-Methyl-6H-pyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-6H-pyrido[4,3-b]carbazole",NA,"CC1=C2C=C3C4=CC=CC=C4N=C3C=C2C=CN1","KEXJRLIZSKRXPC-UHFFFAOYSA-N",285249,NA,"PDBC09883","142053","Present",NA,NA
+"9884","1-Methyl-7-(phenylsulfonyl)-8-oxo-3,4,8,9-tetrahydro-3,9-diaza-5-thia-5H-cyclopenta[a]naphthalene-2-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 9-methyl-2-oxo-3-(phenylsulfonyl)-1,2,6,7-tetrahyd...",NA,"CCOC(=O)C1=C(C2=C(N1)CSC3=C2NC(=O)C(=C3)S(=O)(=O)C4=CC=CC=C4)C","HRLLILZYWOTQJJ-UHFFFAOYSA-N",54612951,NA,"PDBC09884","749871","Present",NA,NA
+"9885","1-Methyl-7-oxo-6-oxabicyclo[3.2.1]octane-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-7-oxo-6-oxabicyclo[3.2.1]octane-5-carbonitrile",NA,"CC12CCCC(C1)(OC2=O)C#N","IADFEOKSQIAMPI-UHFFFAOYSA-N",361360,NA,"PDBC09885","624386","Present",NA,NA
+"9886","1-Methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-4,10,16-tricarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15,17,19-nonaene-4,10,16-tricarbaldehyde",NA,"CC12C3=C4C=CC(=C3OC5=C1C(=C(C=C5)C=O)OC6=C2C(=C(C=C6)C=O)O4)C=O","YPYFHLUZUWOSPH-UHFFFAOYSA-N",393364,NA,"PDBC09886","695171","Present",NA,NA
+"9887","1-Methyl-8-aza-1-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-8-aza-1-azoniatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene;perchlorate",NA,"C[N+]12CCN(C3=CC=CC=C31)C4=CC=CC=C24.[O-]Cl(=O)(=O)=O","NIZPVGUCHVAYJN-UHFFFAOYSA-M",14387749,NA,"PDBC09887","664007","Present",NA,NA
+"9888","1-Methyl-N'-phenylpiperidine-4-carbohydrazide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N'-phenylpiperidine-4-carbohydrazide;hydrochloride",NA,"CN1CCC(CC1)C(=O)NNC2=CC=CC=C2.Cl","AZLZCZKSVWJKEE-UHFFFAOYSA-N",24200122,NA,"PDBC09888","359415","Present",NA,NA
+"9889","1-Methyl-N,2,6-triphenylpiperidin-4-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N,2,6-triphenylpiperidin-4-imine",NA,"CN1C(CC(=NC2=CC=CC=C2)CC1C3=CC=CC=C3)C4=CC=CC=C4","UVHKUWLZFPTNRD-UHFFFAOYSA-N",338148,NA,"PDBC09889","359383","Present",NA,NA
+"9890","1-Methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]benzimidazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2N1C)C3=NC=CN=C3","NUKIAKUHCYASBD-VCHYOVAHSA-N",9572088,NA,"PDBC09890","703102","Present",NA,NA
+"9891","1-Methyl-N-[(E)-1-pyrimidin-4-ylethylideneamino]benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N-[(E)-1-pyrimidin-4-ylethylideneamino]benzimidazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2N1C)C3=NC=NC=C3","OSAIKAVHADRYSU-VCHYOVAHSA-N",9572091,NA,"PDBC09891","703105","Present",NA,NA
+"9892","1-Methyl-N-[(E)-1-quinolin-2-ylethylideneamino]benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N-[(E)-1-quinolin-2-ylethylideneamino]benzimidazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2N1C)C3=NC4=CC=CC=C4C=C3","WRMHOSDOJVKXLZ-LPYMAVHISA-N",9572607,NA,"PDBC09892","722316","Present",NA,NA
+"9893","1-Methyl-N-[2-[methyl-[2-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]ethyl]amino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N-[2-[methyl-[2-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]ethyl]amino]ethyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,"CN1C2=C(CC3=CC=CC=C32)C(=N1)C(=O)NCCN(C)CCNC(=O)C4=NN(C5=C4CC6=CC=CC=C65)C","HSGLAZWMTIZDEE-UHFFFAOYSA-N",399546,NA,"PDBC09893","710410","Present",NA,NA
+"9894","1-Methyl-N-[2-[methyl-[2-[(1-methylbenzo[g]indole-3-carbonyl)amino]ethyl]amino]ethyl]benzo[g]indole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N-[2-[methyl-[2-[(1-methylbenzo[g]indole-3-carbonyl)amino]ethyl]amino]ethyl]benzo[g]indole-3-carboxamide",NA,"CN1C=C(C2=C1C3=CC=CC=C3C=C2)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=CC=CC=C65)C","HEWBJNOAXVXHID-UHFFFAOYSA-N",395027,NA,"PDBC09894","699189","Present",NA,NA
+"9895","1-Methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-b]pyrrole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-b]pyrrole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-b]pyrrole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-b]pyrrole-3-carboxamide",NA,"CN1C=C(C2=C1C3=CC=CC=C3C2)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4CC6=CC=CC=C65)C","LJCPVYVZKXWPCL-UHFFFAOYSA-N",400629,NA,"PDBC09895","712787","Present",NA,NA
+"9896","1-Methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N-[3-[methyl-[3-[(1-methyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,"CN1C2=C(CC3=CC=CC=C32)C(=N1)C(=O)NCCCN(C)CCCNC(=O)C4=NN(C5=C4CC6=CC=CC=C65)C","ALYPQNQVLSGRNW-UHFFFAOYSA-N",399549,NA,"PDBC09896","710413","Present",NA,NA
+"9897","1-Methyl-N-[3-[methyl-[3-[(1-methylbenzo[g]indole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N-[3-[methyl-[3-[(1-methylbenzo[g]indole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indole-3-carboxamide",NA,"CN1C=C(C2=C1C3=CC=CC=C3C=C2)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=CC=CC=C65)C","PYGBHCKSFFHZBX-UHFFFAOYSA-N",395028,NA,"PDBC09897","699190","Present",NA,NA
+"9898","1-Methyl-{N}-propyl-1{H}-pyrazolo[3,4-{d}]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4-d]pyrimidine, 1-methyl-4-propylamino-",NA,"CCCNC1=C2C=NN(C2=NC=N1)C","JPVMCSXKFPMWDB-UHFFFAOYSA-N",221087,NA,"PDBC09898","47366","Present",NA,NA
+"9899","1-Methylbrassinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-methylbrassinin",NA,"CN1C=C(C2=CC=CC=C21)CNC(=S)SC","UDWCHLQLTMUNPW-UHFFFAOYSA-N",5472951,NA,"PDBC09899","722927","Present",NA,NA
+"9900","1-Methylchromeno[2,3-b]pyridin-1-ium-5-one;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylchromeno[2,3-b]pyridin-1-ium-5-one;iodide",NA,"C[N+]1=CC=CC2=C1OC3=CC=CC=C3C2=O.[I-]","BPULBAJUBBXAOR-UHFFFAOYSA-M",355173,NA,"PDBC09900","608361","Present",NA,NA
+"9901","1-Methylchromeno[2,3-b]pyridine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylchromeno[2,3-b]pyridine-2,5-dione",NA,"CN1C(=O)C=CC2=C1OC3=CC=CC=C3C2=O","ZIWQAZXRARQSIN-UHFFFAOYSA-N",355947,NA,"PDBC09901","610782","Present",NA,NA
+"9902","1-Methylcyclopentane-1,2-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylcyclopentane-1,2-dicarboxylic acid",NA,"CC1(CCCC1C(=O)O)C(=O)O.CC1(CCCC1C(=O)O)C(=O)O","GJYRVKIYYDPFCC-UHFFFAOYSA-N",232835,NA,"PDBC09902","30799","Present",NA,NA
+"9903","1-Methylene-2,3-bis(p-tolyl)pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylene-2,3-bis(p-tolyl)pyrazino[1,2-a]benzimidazole",NA,"CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)C","PQHWGMCWXYEHIG-UHFFFAOYSA-N",390233,NA,"PDBC09903","687525","Present",NA,NA
+"9904","1-Methylene-2,3-diphenyl-pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylene-2,3-diphenyl-pyrazino[1,2-a]benzimidazole",NA,"C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=CC=C4)C5=CC=CC=C5","DSPVQHIMENGVIZ-UHFFFAOYSA-N",390227,NA,"PDBC09904","687519","Present",NA,NA
+"9905","1-Methylene-2-(4-methoxybenzyl)-3-(3-chlorophenyl)-1,2-a]-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylene-2-(4-methoxybenzyl)-3-(3-chlorophenyl)-1,2-d...",NA,"COC1=CC=C(C=C1)CN2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC(=CC=C5)Cl","CMBKEFGSZVFSAU-UHFFFAOYSA-N",54613563,NA,"PDBC09905","748541","Present",NA,NA
+"9906","1-Methylene-2-(4-nitrophenyl)-3-phenyl-pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylene-2-(4-nitrophenyl)-3-phenyl-pyrazino[1,2-a]benzimidazole",NA,"C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5","NNTVTPWJSVXMMD-UHFFFAOYSA-N",390231,NA,"PDBC09906","687523","Present",NA,NA
+"9907","1-Methylene-2-phenyl-3-(p-tolyl)pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazino[1,2-a]benzimidazole, 1-methylene- 3_(4-methylph...",NA,"CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=CC=C5","CECIKOFNEZAOAI-UHFFFAOYSA-N",390232,NA,"PDBC09907","687524","Present",NA,NA
+"9908","1-Methylene-3-phenyl-2-(p-tolyl)pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylene-3-phenyl-2-(p-tolyl)pyrazino[1,2-a]benzimidazole",NA,"CC1=CC=C(C=C1)N2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC=CC=C5","PBTQFUDXZOZFSD-UHFFFAOYSA-N",390228,NA,"PDBC09908","687520","Present",NA,NA
+"9909","1-Methylethyl 2-chloro-5-[N-methyl-(2-methoxybenzoyl)amino] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylethyl 2-chloro-5-[N-methyl-(2-methoxybenzoyl)ami...",NA,"CC(C)OC(=O)C1=C(C=CC(=C1)N(C)C(=O)C2=CC=CC=C2OC)Cl","WXZVGFQRERCLOG-UHFFFAOYSA-N",363565,NA,"PDBC09909","628536","Present",NA,NA
+"9910","1-Methylpyrazolium-trans-tetrachlorobis-1- methylpyrazol...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylpyrazolium-trans-tetrachlorobis-1- methylpyrazol...",NA,NA,NA,NA,NA,"PDBC09910","630126","Present",NA,NA
+"9911","1-Methylpyrrolidin-3-yl 2-cyclopentyl-2-hydroxy-2-phenylacetate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AHR 376",NA,"CN1CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl","IUFZTNHOGFUUBG-UHFFFAOYSA-N",24194750,NA,"PDBC09911","172251","Present",NA,NA
+"9912","1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione",NA,"CC12C3C(C(O1)C(=O)C24CCC4)C(=O)C5=CC=CC=C5C3=O","SPFAVMVFRKWXAQ-UHFFFAOYSA-N",406704,NA,"PDBC09912","724969","Present",NA,NA
+"9913","1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione",NA,"CC12C3C(C(O1)C(=O)C24CC4)C(=O)C5=CC=CC=C5C3=O","PBZGMQZVRDSMKG-UHFFFAOYSA-N",406710,NA,"PDBC09913","724975","Present",NA,NA
+"9914","1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclobutane]-3,18,21-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclobutane]-3,18,21-trione",NA,"CC12C3C(C(O1)C(=O)C24CCC4)C(=O)C5=C(C3=O)C6=C(C=C5)C7=CC=CC=C7C=C6","UTMAKJGGEQXXGY-UHFFFAOYSA-N",406705,NA,"PDBC09914","724970","Present",NA,NA
+"9915","1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclopropane]-3,18,21-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclopropane]-3,18,21-trione",NA,"CC12C3C(C(O1)C(=O)C24CC4)C(=O)C5=C(C3=O)C6=C(C=C5)C7=CC=CC=C7C=C6","HYDDRTRXKRXTSY-UHFFFAOYSA-N",406709,NA,"PDBC09915","724974","Present",NA,NA
+"9916","1-Methylsulfanyl-1,3-dihydrobenzo[e]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylsulfanyl-1,3-dihydrobenzo[e]indol-2-one",NA,"CSC1C2=C(C=CC3=CC=CC=C32)NC1=O","SLGYWHYIUUFYBT-UHFFFAOYSA-N",392959,NA,"PDBC09916","694173","Present",NA,NA
+"9917","1-Monolinolenoyl-rac-glycerol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Monolinolenoyl-rac-glycerol",NA,"CCC=CCC=CCC=CCCCCCCCC(=O)OCC(CO)O","GGJRAQULURVTAJ-PDBXOOCHSA-N",5367328,NA,"PDBC09917","607761","Present",NA,NA
+"9918","1-Morpholino-4-phenyl-bicyclo[2.2.2]octan-3-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxyimino-1-phenyl-4(N-morpholino)bicyclo[2.2.2]octane",NA,"C1CC2(CCC1(CC2=NO)N3CCOCC3)C4=CC=CC=C4","MUBUOVPWOVTACK-KNTRCKAVSA-N",6374899,NA,"PDBC09918","674056","Present",NA,NA
+"9919","1-Morpholinopyrimido[1,2-a]quinolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Morpholinopyrimido[1,2-a]quinolin-3-one",NA,"C1COCCN1C2=CC(=O)N=C3N2C4=CC=CC=C4C=C3","ABBGHLMMVNLPFK-UHFFFAOYSA-N",388269,NA,"PDBC09919","682883","Present",NA,NA
+"9920","1-N',2-N'-Bis[(Z)-(4-hydroxyphenyl)methylideneamino]ethanediimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N',2-N'-Bis[(Z)-(4-hydroxyphenyl)methylideneamino]ethanediimidamide",NA,"C1=CC(=CC=C1C=NN=C(C(=NN=CC2=CC=C(C=C2)O)N)N)O","WPZNUCNQTDZZEK-QJUDHZBZSA-N",135408516,NA,"PDBC09920","47468","Present",NA,NA
+"9921","1-N,1-N'-Bis[1-(1-adamantyl)ethyl]-3,4,4-trichloro-2-nitrobuta-1,3-diene-1,1-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Butadiene-1,1-diamine, 3,4,4-trichloro-2-nitro-N,N'-...",NA,"CC(C12CC3CC(C1)CC(C3)C2)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC(C)C45CC6CC(C4)CC(C6)C5","XDLJPIYOSCWLFS-UHFFFAOYSA-N",394729,NA,"PDBC09921","698397","Present",NA,NA
+"9922","1-N,1-N,4-N,4-N-Tetra(propan-2-yl)cubane-1,4-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~,N~4~,N~4~-Tetraisopropyl-1,4-cubanedicarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)N(C(C)C)C(C)C","AOAICZVPHIDOQP-UHFFFAOYSA-N",369191,NA,"PDBC09922","640897","Present",NA,NA
+"9923","1-N,1-N-Diethyl-4-N-(2-methoxy-6-methylacridin-9-yl)pentane-1,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridine, 9-[(4-diethylamino-1-methylbutyl)amino]-2-meth...",NA,"CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)C)OC.Cl","WYVZBZLZJFKWJP-UHFFFAOYSA-N",54602016,NA,"PDBC09923","14079","Present",NA,NA
+"9924","1-N,1-N-Diethyl-4-N-(7-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine;phosphoric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,1-N-Diethyl-4-N-(7-methoxy-2-phenylquinolin-4-yl)pentane-1,4-diamine",NA,"CCN(CC)CCCC(C)NC1=CC(=NC2=C1C=CC(=C2)OC)C3=CC=CC=C3.OP(=O)(O)O","SDQQWOCNNRWEHV-UHFFFAOYSA-N",22210399,NA,"PDBC09924","13484","Present",NA,NA
+"9925","1-N,1-N-Diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,1-N-Diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine",NA,"CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC3=CC=CC=C3","ITYQJLOPXWLWNV-UHFFFAOYSA-N",224742,NA,"PDBC09925","56655","Present",NA,NA
+"9926","1-N,3-N-Bis[4-[2-chloroethyl(ethyl)amino]phenyl]-5-N-[2-(dimethylamino)ethyl]benzene-1,3,5-tricarboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,3-N-Bis[4-[2-chloroethyl(ethyl)amino]phenyl]-5-N-[2-(dimethylamino)ethyl]benzene-1,3,5-tricarboxamide;hydrochloride",NA,"CCN(CCCl)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NCCN(C)C)C(=O)NC3=CC=C(C=C3)N(CC)CCCl.Cl","LMYNFMFUCCTHOO-UHFFFAOYSA-N",384805,NA,"PDBC09926","675255","Present",NA,NA
+"9927","1-N,4-N-Bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,4-N-Bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)benzene-1,4-diamine",NA,"CC1=C(N=C(S1)NC2=CC=C(C=C2)NC3=NC(=C(S3)C)C4=CC=CC=C4)C5=CC=CC=C5","VTDVNFSLINQWOW-UHFFFAOYSA-N",399510,NA,"PDBC09927","710373","Present",NA,NA
+"9928","1-N,4-N-Bis[(E)-(5-nitrofuran-2-yl)methylideneamino]benzene-1,4-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,4-N-Bis[(E)-(5-nitrofuran-2-yl)methylideneamino]benzene-1,4-dicarboxamide",NA,"C1=CC(=CC=C1C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-])C(=O)NN=CC3=CC=C(O3)[N+](=O)[O-]","CWRZLLPKFXJVOW-LQGKIZFRSA-N",9572305,NA,"PDBC09928","710905","Present",NA,NA
+"9929","1-N,4-N-Bis[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzene-1,4-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,4-N-Bis[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]benzene-1,4-dicarboxamide",NA,"C1=CC(=CC=C1C(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-])C(=O)NN=CC=CC3=CC=C(O3)[N+](=O)[O-]","YNZMEJUCGATQOO-OMUNZOLNSA-N",9572304,NA,"PDBC09929","710904","Present",NA,NA
+"9930","1-N,4-N-Bis[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,4-N-Bis[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]benzene-1,4-dicarboxamide",NA,"C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)N(CCCl)CCCl)N(CCCl)CCCl","IJFFQBLNPZTBAM-JTOYJDTJSA-N",9554616,NA,"PDBC09930","164878","Present",NA,NA
+"9931","1-N,4-N-Bis[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperazine-1,4-dicarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,4-N-Bis[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperazine-1,4-dicarbothioamide",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)N3CCN(CC3)C(=S)NN=CC4=C(N(N(C4=O)C5=CC=CC=C5)C)C","GWWYAIOHOKAKIV-CDSIFPFTSA-N",6371863,NA,"PDBC09931","701208","Present",NA,NA
+"9932","1-N,4-N-Bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,4-N-Bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]bicyclo[2.2.2]octane-1,4-dicarboxamide;hydrochloride",NA,"CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C23CCC(CC2)(CC3)C(=O)NC4=CC(=CC(=C4)CN(C)C)N(CC)CCCl)CN(C)C.Cl","LFCRGFVDUGXRNB-UHFFFAOYSA-N",384793,NA,"PDBC09932","675249","Present",NA,NA
+"9933","1-N-(1-Azabicyclo[2.2.2]octan-3-yl)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;naphthalene-1,5-disulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N-(1-Azabicyclo[2.2.2]octan-3-yl)-4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine;naphthalene-1,5-disulfonic acid",NA,"CC(CCCNC1CN2CCC1CC2)NC3=C4C(=CC(=C3)OC)C=CC=N4.C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)S(=O)(=O)O","JVMYHPFGGXVKBO-UHFFFAOYSA-N",54600630,NA,"PDBC09933","306108","Present",NA,NA
+"9934","1-N-Butyl-4-N-phenylbenzene-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-benzenediamine (9ci), n-butyl-n'-phenyl-",NA,"CCCCNC1=CC=C(C=C1)NC2=CC=CC=C2","PIPXINMICYUFAD-UHFFFAOYSA-N",229938,NA,"PDBC09934","24030","Present",NA,NA
+"9935","1-N-Methyl monastrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N-Methyl monastrol",NA,"CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=CC=C2)O)C)C","RQRFWGMMFZZAKV-UHFFFAOYSA-N",5472255,NA,"PDBC09935","717307","Present",NA,NA
+"9936","1-N-Methyl-2-phenyl-4-(3',5'-trimethoxybenzylidine)-pyrazolo[1,5-a]indolinium trifluoromethane sulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N-Methyl-2-phenyl-4-(3',4',5'-trimethoxybenzylidine)-p...",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC(=C(C(=C4)OC)OC)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","ABTRGBPZHBNPDD-UXTSPRGOSA-M",5470313,NA,"PDBC09936","699474","Present",NA,NA
+"9937","1-N-[3-[2-Chloroethyl(ethyl)amino]phenyl]-4-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N-[3-[2-Chloroethyl(ethyl)amino]phenyl]-4-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride",NA,"CCN(CCCl)C1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN(C)C.Cl","FRVRUWMTSOPATN-UHFFFAOYSA-N",384803,NA,"PDBC09937","675254","Present",NA,NA
+"9938","1-Naphthalen-1-yl-3-(4-sulfamoylphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK452192",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=C(C=C3)S(=O)(=O)N","QZAYRXXVTLUCHY-UHFFFAOYSA-N",307519,NA,"PDBC09938","205628","Present",NA,NA
+"9939","1-Naphthalen-1-yl-3-[6-(naphthalen-1-ylmethylamino)hexyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Naphthyl)-1-[6-(1-naphthylmethylamino)hexyl]urea",NA,"C1=CC=C2C(=C1)C=CC=C2CNCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43","KGSYZKSKBBQYHF-UHFFFAOYSA-N",387931,NA,"PDBC09939","682236","Present",NA,NA
+"9940","1-Naphthalen-1-yl-3-[8-(naphthalen-1-ylcarbamoylamino)octyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Naphthyl)-1-[8-(1-naphthylcarbamoylamino)octyl]urea",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43","YCWLPVADSISLLI-UHFFFAOYSA-N",387932,NA,"PDBC09940","682237","Present",NA,NA
+"9941","1-Naphthalen-1-yl-N-[2-(naphthalen-1-ylmethylideneamino)ethyl]methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~2~-Bis(1-naphthylmethylene)-1,2-ethanediamine",NA,"C1=CC=C2C(=C1)C=CC=C2C=NCCN=CC3=CC=CC4=CC=CC=C43","HEDFJWUXBLLAKT-UHFFFAOYSA-N",361325,NA,"PDBC09941","624351","Present",NA,NA
+"9942","1-Naphthalen-2-yl-3-(1,2,4-triazol-4-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Naphthyl)-3-(1,2,4-triazol-4-yl)urea",NA,"C1=CC=C2C=C(C=CC2=C1)NC(=O)NN3C=NN=C3","CKFBWKYVHBWZTK-UHFFFAOYSA-N",393652,NA,"PDBC09942","695917","Present",NA,NA
+"9943","1-Naphthalenecarboxamide,N'-1,8-(octanediyl)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Naphthalenecarboxamide, N,N'-1,8-(octanediyl)bis-",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCCCNC(=O)C3=CC=CC4=CC=CC=C43","LRAQTEGZWQCIKJ-UHFFFAOYSA-N",364097,NA,"PDBC09943","629738","Present",NA,NA
+"9944","1-Naphthalenemethanol,1-dimethylethyl]-4-methoxy, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Naphthalenemethanol, .alpha.-[2-(dibutylamino)-1,1-dim...",NA,"CCCCN(CCCC)CC(C)(C)C(C1=CC=C(C2=CC=CC=C21)OC)O.Cl","KNQFKZABVQPTFY-UHFFFAOYSA-N",24181636,NA,"PDBC09944","10587","Present",NA,NA
+"9945","1-Naphthalenepropanol, alpha-ethenyldecahydro-3-hydroxy-alpha,5,5,8a-tetramethyl-2-methylene-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Naphthalenepropanol, .alpha.-ethenyldecahydro-3-hydrox...",NA,"CC1(CCCC2(C1CC(C(=C)C2CCC(C)(C=C)O)O)C)C","ANTWOQSCTZFYJO-UHFFFAOYSA-N",299929,NA,"PDBC09945","173908","Present",NA,NA
+"9946","1-Naphthalenesulfonic acid, 3-((4-sulfo-2-naphthalenyl)-NNO-azoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Naphthalenesulfonic acid, 3-((4-sulfo-2-naphthalenyl)-NNO-azoxy)-",NA,"C1=CC=C2C(=C1)C=C(C=C2S(=O)(=O)O)N=[N+](C3=CC4=CC=CC=C4C(=C3)S(=O)(=O)O)[O-]","JOYRCGQZVNLGGX-UHFFFAOYSA-N",235538,NA,"PDBC09946","37031","Present",NA,NA
+"9947","1-Naphthalenol, 4-nitroso-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Naphthalenol, 4-nitroso- (9CI)",NA,"C1=CC=C2C(=C1)C(=CC=C2O)N=O","ZVNOVIBCAIDQOE-UHFFFAOYSA-N",69064,NA,"PDBC09947","5417","Present",NA,NA
+"9948","1-Naphthylamine, N-(2-oxazolyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-95745",NA,"C1=CC=C2C(=C1)C=CC=C2NC3=NC=CO3","QPVKBSBPGROOBY-UHFFFAOYSA-N",57834,NA,"PDBC09948","659237","Present",NA,NA
+"9949","1-Naphthylamine, N-(5-amino-2-oxazolyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-95715",NA,"C1=CC=C2C(=C1)C=CC=C2NC3=NC=C(O3)N","GRNQAURYARKQCV-UHFFFAOYSA-N",59275,NA,"PDBC09949","659261","Present",NA,NA
+"9950","1-Nitro-1-(1-nitrocyclopentyl)cyclopentane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-DINITRODICYCLOPENTYL",NA,"C1CCC(C1)(C2(CCCC2)[N+](=O)[O-])[N+](=O)[O-]","RQLQCUSIOMTSSH-UHFFFAOYSA-N",392324,NA,"PDBC09950","692600","Present",NA,NA
+"9951","1-Nitro-1-methyl-2-naphtylethene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-0060737",NA,"CC(=CC1=CC2=CC=CC=C2C=C1)[N+](=O)[O-]","DTZVIBZSHDZFPP-CSKARUKUSA-N",5381681,NA,"PDBC09951","121155","Present",NA,NA
+"9952","1-Nitro-2-(phenylsulfonyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1-nitro-2-(phenylsulfonyl)-",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","GKNMUCPEXSCGKC-UHFFFAOYSA-N",64984,NA,"PDBC09952","624231","Present",NA,NA
+"9953","1-Nitro-2-tosylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1-[(4-methylphenyl)sulfonyl]-2-nitro-",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","JPGVTAXHQBLUJH-UHFFFAOYSA-N",363133,NA,"PDBC09953","627708","Present",NA,NA
+"9954","1-Nitro-3-(2-nitroethyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nitro-3-(2-nitroethyl)benzene",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])CC[N+](=O)[O-]","FFBMBNOWZMJDCS-UHFFFAOYSA-N",367366,NA,"PDBC09954","637005","Present",NA,NA
+"9955","1-Nitro-4,5,9,10-tetrahydro-4beta,5beta:9alpha,10alpha-diepoxypyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,4R,10R,12S)-6-Nitro-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene",NA,"C1=CC2=C3C(=C1)C4C(O4)C5=C(C=CC(=C53)C6C2O6)[N+](=O)[O-]","PSJVYDKXINWURE-XUWVNRHRSA-N",397364,NA,"PDBC09955","705017","Present",NA,NA
+"9956","1-Nitro-4,5,9,10-tetrahydro-4beta,5beta:9beta,10beta-diepoxypyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,4S,10R,12S)-6-Nitro-3,11-dioxahexacyclo[7.7.2.02,4.05,18.010,12.013,17]octadeca-1(16),5,7,9(18),13(17),14-hexaene",NA,"C1=CC2=C3C(=C1)C4C(O4)C5=C(C=CC(=C53)C6C2O6)[N+](=O)[O-]","PSJVYDKXINWURE-JJXSEGSLSA-N",397365,NA,"PDBC09956","705018","Present",NA,NA
+"9957","1-Nitro-6H-benzimidazolo[2,1-b]quinazolin-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nitrobenzimidazo[2,1-b]quinazolin-12(6h)-one",NA,"C1=CC=C2C(=C1)NC3=NC4=C(C(=CC=C4)[N+](=O)[O-])C(=O)N23","RLXSFRKSGMVOAS-UHFFFAOYSA-N",403982,NA,"PDBC09957","719973","Present",NA,NA
+"9958","1-Nitro-9-(2-hydroxyethylamino)-acridine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(2-hydroxyethyl)-1-nitro-9-acridineamine, hcl salt",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCO.Cl","WGUCIXFYKBZJBZ-UHFFFAOYSA-N",371504,NA,"PDBC09958","645803","Present",NA,NA
+"9959","1-Nitro-9-(3-isopropylaminopropylamino)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nitro-9-(3-isopropylaminopropylamino)acridine",NA,"CC(C)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]","QXNCBKQFKXJKGD-UHFFFAOYSA-N",149747,NA,"PDBC09959","673790","Present",NA,NA
+"9960","1-Nitro-9-oxo-10H-acridine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nitro-9-oxo-10H-acridine-4-carboxylic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3N2)C(=O)O)[N+](=O)[O-]","RZCJSUVWYHPKQD-UHFFFAOYSA-N",363814,NA,"PDBC09960","629028","Present",NA,NA
+"9961","1-Nitroso-1,3-bis(prop-2-ynyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BPNU",NA,"C#CCNC(=O)N(CC#C)N=O","TWGIBGMGJQITKT-UHFFFAOYSA-N",366406,NA,"PDBC09961","634775","Present",NA,NA
+"9962","1-Nitroso-2,6-diphenylpiperidin-4-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nitroso-2,6-diphenylpiperidin-4-one oxime",NA,"C1C(N(C(CC1=NO)C2=CC=CC=C2)N=O)C3=CC=CC=C3","VNAFUGYZYRNVJV-UHFFFAOYSA-N",376283,NA,"PDBC09962","656997","Present",NA,NA
+"9963","1-Nitroso-2,6-diphenylpiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nitroso-2,6-diphenylpiperidine",NA,"C1CC(N(C(C1)C2=CC=CC=C2)N=O)C3=CC=CC=C3","MORPGHSBVNIXMM-UHFFFAOYSA-N",362606,NA,"PDBC09963","626736","Present",NA,NA
+"9964","1-Nitroso-2,7-diphenyl-1,4-diazepan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nitroso-2,7-diphenyl-1,4-diazepan-5-one",NA,"C1C(N(C(CNC1=O)C2=CC=CC=C2)N=O)C3=CC=CC=C3","KKRMFFAUUDPTSQ-UHFFFAOYSA-N",362615,NA,"PDBC09964","626745","Present",NA,NA
+"9965","1-Nitroso-2-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Nitroso-.beta.-naphthol oxime",NA,"C1=CC=C2C(=C1)C=CC(=C2N=O)O","YXAOOTNFFAQIPZ-UHFFFAOYSA-N",8580,NA,"PDBC09965","107835","Present",NA,NA
+"9966","1-Nitroso-3-nitro-3-ethylazetidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-3-nitro-1-nitrosoazetidine",NA,"CCC1(CN(C1)N=O)[N+](=O)[O-]","NBJPPEDGINAGOH-UHFFFAOYSA-N",385836,NA,"PDBC09966","677233","Present",NA,NA
+"9967","1-Nitroso-4-(pyridin-3-ylamino)naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nitroso-4-(pyridin-3-ylamino)naphthalen-2-ol",NA,"C1=CC=C2C(=C1)C(=CC(=C2N=O)O)NC3=CN=CC=C3","VRYAIKWDPUUMIG-UHFFFAOYSA-N",376615,NA,"PDBC09967","657646","Present",NA,NA
+"9968","1-Nonyl-3-(2',5'-diethoxycarbonyl-1',4'-dihydropyridyl-4')pyridinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nonyl-3-(2',6'-dimethyl-3',5'-diethoxycarbonyl-1',4'-d...",NA,"CCCCCCCCC[N+]1=CC=CC(=C1)C2C(=C(NC(=C2C(=O)OCC)C)C)C(=O)OCC.[Br-]","UJDGJTZVKTYPQJ-UHFFFAOYSA-N",393566,NA,"PDBC09968","695636","Present",NA,NA
+"9969","1-O-(3-O-beta-D-Glucopyranosylbutyryl)pancratistatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-(3-O-.beta.-D-glucopyranosylbutyryl)pancratistatin",NA,"CC(CC(=O)COC1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)OC5C(C(C(C(O5)CO)O)O)O","RNZYQZGSIRTMOP-OBHNLAGLSA-N",398556,NA,"PDBC09969","708496","Present",NA,NA
+"9970","1-O-(Benzyl(hydroxy)phosphoryl)hex-2-ulopyranose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-(Benzyl(hydroxy)phosphoryl)hex-2-ulopyranose",NA,"C1C(C(C(C(O1)(COP(=O)(CC2=CC=CC=C2)O)O)O)O)O","ROCCZBCBIYPGQQ-UHFFFAOYSA-N",379335,NA,"PDBC09970","663881","Present",NA,NA
+"9971","1-O-Benzyl 12-O-ethyl (5aS,5bR,11aR,12S)-11-oxo-2,3,4,5a,5b,6,7,8,9,11a,12,12a-dodecahydroindolizino[1,2-g]quinoline-1,12-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Benzyl 12-O-ethyl (5aS,5bR,11aR,12S)-11-oxo-2,3,4,5a,5b,6,7,8,9,11a,12,12a-dodecahydroindolizino[1,2-g]quinoline-1,12-dicarboxylate",NA,"CCOC(=O)C1C2C(C=C3C1N(CCC3)C(=O)OCC4=CC=CC=C4)C5CCCCN5C2=O","JPWYSBUFLCCCKU-ITGJKDDRSA-N",401685,NA,"PDBC09971","715415","Present",NA,NA
+"9972","1-O-Benzyl 5-O-methyl (5S)-2-oxo-3-(3-phenylpropanoyl)imidazolidine-1,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Benzyl 5-O-methyl (5S)-2-oxo-3-(3-phenylpropanoyl)imidazolidine-1,5-dicarboxylate",NA,"COC(=O)C1CN(C(=O)N1C(=O)OCC2=CC=CC=C2)C(=O)CCC3=CC=CC=C3","YESQOSYUOMMDPO-SFHVURJKSA-N",385477,NA,"PDBC09972","676711","Present",NA,NA
+"9973","1-O-Ethyl 4-O-methyl 2-[[4-methoxy-2-[[4-methoxy-2-[[4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Ethyl 4-O-methyl 2-[[4-methoxy-2-[[4-methoxy-2-[[4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]butanedioate",NA,"CCOC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1","HZHRYDQJPCRUMA-UHFFFAOYSA-N",381620,NA,"PDBC09973","668440","Present",NA,NA
+"9974","1-O-Methyl 3,5,6-tetraphenylterephthalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Methyl 3,4,5,6-tetraphenylterephthalate",NA,"COC(=O)C1=C(C(=C(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","CTGHULILLJRBBK-UHFFFAOYSA-N",24205352,NA,"PDBC09974","735261","Present",NA,NA
+"9975","1-O-Octadecyl-[(2.fwdarw.5')-3'-C-ethinyl-cytidylyl]-rac-glycerylyl-(3.fwdarw.5')-5-fluoro-2'-deoxyuridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC719661///1-O-Octadecyl-(2->5')-(3'-C-ethinylcytidylyl)-(3->5')-(5...",NA,"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O","CBSVWOFEDIRIAW-UHFFFAOYSA-N",6712908,NA,"PDBC09975","719661///722307","Present",NA,NA
+"9976","1-O-Pentylglycerol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Pentylglycerol",NA,"CCCCCOCC(CO)O","FQJXITFHANYMET-UHFFFAOYSA-N",90819,NA,"PDBC09976","625446","Present",NA,NA
+"9977","1-O-Tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Tert-butyl 2-O-(2,2,2-trichloroethyl) (2S,4S)-4-(2-oxo-2-phenylmethoxyethyl)pyrrolidine-1,2-dicarboxylate",NA,"CC(C)(C)OC(=O)N1CC(CC1C(=O)OCC(Cl)(Cl)Cl)CC(=O)OCC2=CC=CC=C2","GSQDPRPGTHUAPW-HOTGVXAUSA-N",401677,NA,"PDBC09977","715407","Present",NA,NA
+"9978","1-O-Tert-butyl 2-O-ethyl 4-[[(3aR,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-hydroxymethyl]pyrrole-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Tert-butyl 2-O-ethyl 4-[[(3aR,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-hydroxymethyl]pyrrole-1,2-dicarboxylate",NA,"CCOC(=O)C1=CC(=CN1C(=O)OC(C)(C)C)C(O)P2(=O)N(C3CCCCC3N2CC(C)(C)C)CC(C)(C)C","WCEPVHTYJDFBKN-QQMHWKEJSA-N",397400,NA,"PDBC09978","705141","Present",NA,NA
+"9979","1-O-Tert-butyl 2-O-methyl (2S)-4-[1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-2-nitroethyl]-5-oxopyrrolidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC716063///NSC716066",NA,"CC(C)(C)OC(=O)N1C(CC(C1=O)C(C[N+](=O)[O-])C2=CC=C(C=C2)O[Si](C)(C)C(C)(C)C)C(=O)OC","VYYXNFIMASURES-MHJFOBGBSA-N",402196,NA,"PDBC09979","716063///716066","Present",NA,NA
+"9980","1-O-Tert-butyl 2-O-methyl (2S)-4-[2-amino-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]ethyl]-5-oxopyrrolidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Tert-butyl 2-O-methyl (2S)-4-[2-amino-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]ethyl]-5-oxopyrrolidine-1,2-dicarboxylate",NA,"CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C(CN)C3CC(N(C3=O)C(=O)OC(C)(C)C)C(=O)OC","XZGAGYCRFJTYQY-UHYCVJNDSA-N",403371,NA,"PDBC09980","718164","Present",NA,NA
+"9981","1-O-Tert-butyl 2-O-methyl (2S)-4-[3-methoxy-1-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxopropyl]-5-oxopyrrolidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Tert-butyl 2-O-methyl (2S)-4-[3-methoxy-1-[1-(4-methylphenyl)sulfonylindol-3-yl]-3-oxopropyl]-5-oxopyrrolidine-1,2-dicarboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(CC(=O)OC)C4CC(N(C4=O)C(=O)OC(C)(C)C)C(=O)OC","FDWNPZKMHNEJLM-OWWUNANSSA-N",403372,NA,"PDBC09981","718165","Present",NA,NA
+"9982","1-Octadecanaminium,N-bis(2-hydroxyethyl)-N-2-propynyl-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Octadecanaminium, N,N-bis(2-hydroxyethyl)-N-2-propynyl...",NA,"CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC#C.[Cl-]","VXPMVNRFNPKQHG-UHFFFAOYSA-M",24195153,NA,"PDBC09982","176710","Present",NA,NA
+"9983","1-Octadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-O-Octadecanoyl-2-O-(9Z,12Z,15Z-octadecatrienoyl)-3-O-....",NA,"CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CO)O)O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC","UHPLILYACSUFNX-HLMRNWPHSA-N",5469581,NA,"PDBC09983","690291","Present",NA,NA
+"9984","1-Octadecyl-3-methylimidazolium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-octadecylimidazolium chloride",NA,"CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.[Cl-]","LCXGSWXECDJESI-UHFFFAOYSA-M",2734233,NA,"PDBC09984","747269","Present",NA,NA
+"9985","1-Octene,3,7-trichloro-7-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Octene, 3-(bromomethyl)-2,3,7-trichloro-7-methyl-",NA,"CC(C)(CCCC(CBr)(C(=C)Cl)Cl)Cl","UFPKSFYXKOGZPA-UHFFFAOYSA-N",382926,NA,"PDBC09985","670803","Present",NA,NA
+"9986","1-Oxa-2-phosphaspiro[4.4]non-3-en-2-ol 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Oxa-2-phosphaspiro[4.4]non-3-en-2-ol 2-oxide",NA,"C1CCC2(C1)C=CP(=O)(O2)O","CBMXGLLFJWYFHU-UHFFFAOYSA-N",380881,NA,"PDBC09986","666665","Present",NA,NA
+"9987","1-Oxaspiro[4.5]deca-6,9-diene-2,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Oxaspiro[4,5]deca-6,9-diene-2,8-dione",NA,"C1CC2(C=CC(=O)C=C2)OC1=O","CIZAZAUFIRYVPV-UHFFFAOYSA-N",371586,NA,"PDBC09987","701990","Present",NA,NA
+"9988","1-Oxido-1,2-dithiane-4,5-diyl bis(4-methylbenzenesulfonate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Oxo-5-(p-tolylsulfonyloxy)dithian-4-yl] 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2CSS(=O)CC2OS(=O)(=O)C3=CC=C(C=C3)C","ZBQZGIZULLRIKY-UHFFFAOYSA-N",361194,NA,"PDBC09988","624157","Present",NA,NA
+"9989","1-Oxido-1-[2-(1-oxido-3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl]-3,4,5,6-tetrahydro-2H-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidine, 1,1'-(1,2-ethanediyl)bis-, 1,1'-dioxide (9CI)",NA,"C1CC[N+](CC1)(CC[N+]2(CCCCC2)[O-])[O-]","VHFJBAOBJDUUAL-UHFFFAOYSA-N",172268,NA,"PDBC09989","604379","Present",NA,NA
+"9990","1-Oxido-2,2-diphenyl-3-phenyliminoindol-1-ium-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-2,2-Diphenyl-3-(phenylimino)-2,3-dihydro-5H-indol-5-one 1-oxide",NA,"C1=CC=C(C=C1)C2(C(=NC3=CC=CC=C3)C4=CC(=O)C=CC4=[N+]2[O-])C5=CC=CC=C5","AYZXZPXOQBNTBL-UHFFFAOYSA-N",362810,NA,"PDBC09990","627124","Present",NA,NA
+"9991","1-Oxido-2-(p-tolyl)indol-1-ium-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-oxido-2-(p-tolyl)indol-1-ium-3-one",NA,"CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C2=O)[O-]","JNFIGKJFZMHBHN-UHFFFAOYSA-N",362362,NA,"PDBC09991","626108","Present",NA,NA
+"9992","1-Oxido-3,4-diphenyl-diazet-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Oxido-3,4-diphenyl-diazet-1-ium",NA,"C1=CC=C(C=C1)C2=C([N+](=N2)[O-])C3=CC=CC=C3","CCMAYFJOEZQAHF-UHFFFAOYSA-N",390085,NA,"PDBC09992","687028","Present",NA,NA
+"9993","1-Oxo-11-methyl-2,3,5,6-tetrahydro-1H-pyrrolo[2,1-b][3]benzazepine-11a(11H)-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 11-methyl-1-oxo-3,5,6,11-tetrahydro-2H-pyrrolo[2,1-b][3]benzazepine-11a-carboxylate",NA,"CCOC(=O)C12C(C3=CC=CC=C3CCN1CCC2=O)C","DEJPTANKAMUZOL-UHFFFAOYSA-N",397449,NA,"PDBC09993","705307","Present",NA,NA
+"9994","1-Oxo-2,8-diphenyl-2,5,8-triaza-1-phospha(V)bicyclo[3.3.0]octane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Oxo-2,8-diphenyl-2,5,8-triaza-1-phospha(V)bicyclo[3.3.0]octane",NA,"C1CN(P2(=O)N1CCN2C3=CC=CC=C3)C4=CC=CC=C4","TWSJYLKBYGTNRT-UHFFFAOYSA-N",382335,NA,"PDBC09994","669804","Present",NA,NA
+"9995","1-Oxo-2-(4-chlorophenyl)-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-chlorophenyl)-1-oxo-pyrimido[3,4-a]benzimidazole-4-carboxylate",NA,"CCOC(=O)C1=CN(C(=O)N2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl","HZBQIKJOGZMPDN-UHFFFAOYSA-N",395849,NA,"PDBC09995","700852","Present",NA,NA
+"9996","1-Oxo-3-phenyl-2-(piperidin-1-ylmethyl)-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Oxo-3-phenyl-2-(1-piperidylmethyl)-5h-pyrido[2,1-b]benzimidazole-4-carbonitrile",NA,"C1CCN(CC1)CC2=C(C(=C3NC4=CC=CC=C4N3C2=O)C#N)C5=CC=CC=C5","SCKRKOIKKSEPRH-UHFFFAOYSA-N",395424,NA,"PDBC09996","699960","Present",NA,NA
+"9997","1-Oxo-3-phenylindene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Oxo-3-phenyl-1h-indene-2-carboxamide",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C32)C(=O)N","NFMADGYJLRYPSL-UHFFFAOYSA-N",247352,NA,"PDBC09997","61795","Present",NA,NA
+"9998","1-Oxo-3a,7a-dihydro-1lambda4,2-benzodithiole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Oxo-3a,7a-dihydrobenzo[d]dithiole-3-thione",NA,"C1=CC2C(C=C1)S(=O)SC2=S","WRTNFGRDPACJHT-UHFFFAOYSA-N",397762,NA,"PDBC09998","706184","Present",NA,NA
+"9999","1-Oxo-3a,7a-dihydrodithiolo[3,4-b]pyridine-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Oxo-3a,7a-dihydrodithiolo[5,4-b]pyridine-3-thione",NA,"C1=CC2C(N=C1)S(=O)SC2=S","XLDAYWQKBYTOEC-UHFFFAOYSA-N",397763,NA,"PDBC09999","706185","Present",NA,NA
+"10000","1-Oxophenalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Oxophenalene-2-carboxylic acid",NA,"C1=CC2=C3C(=C1)C=C(C(=O)C3=CC=C2)C(=O)O","KOTMDYNKSPHVPA-UHFFFAOYSA-N",362094,NA,"PDBC10000","625623","Present",NA,NA
+"10001","1-Pent-4-enylindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Pent-4-enylindole",NA,"C=CCCCN1C=CC2=CC=CC=C21","MGVJHDIRKQFYRG-UHFFFAOYSA-N",362373,NA,"PDBC10001","626117","Present",NA,NA
+"10002","1-Pentanone, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Pentanone, 5-[4-(4,5-dihydro-2-oxazolyl)phenoxy]-1-(1,2,5-trimethyl-1H-pyrrol-3-yl)-",NA,"CC1=CC(=C(N1C)C)C(=O)CCCCOC2=CC=C(C=C2)C3=NCCO3","CPNRNRHXPSOFQA-UHFFFAOYSA-N",388878,NA,"PDBC10002","684106","Present",NA,NA
+"10003","1-Penten-3-one, 4-methyl-1-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651783",NA,"CC(C)C(=O)C=CC1=CC=CC=C1","CAXIQKXPSQYDIR-CMDGGOBGSA-N",5354448,NA,"PDBC10003","651783","Present",NA,NA
+"10004","1-Penten-3-one, 5-(4-morpholinyl)-1-phenyl-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Penten-3-one, 5-(4-morpholinyl)-1-phenyl-, hydrochloride",NA,"C1COCCN1CCC(=O)C=CC2=CC=CC=C2.Cl","GWNLEXKNAOCIOV-UHDJGPCESA-N",5386805,NA,"PDBC10004","618059","Present",NA,NA
+"10005","1-Penten-3-one,1'-(1,4-phenylene)bis[5-(diethylamino)-4,4-dimethyl-, dihydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Penten-3-one, 1,1'-(1,4-phenylene)bis[5-(diethylamino)...",NA,"CCN(CC)CC(C)(C)C(=O)C=CC1=CC=C(C=C1)C=CC(=O)C(C)(C)CN(CC)CC.Br","SWXPHXAJGCVPTH-ZGWGUCJNSA-N",6514881,NA,"PDBC10005","602066","Present",NA,NA
+"10006","1-Phenanthrenecarboxylic acid, 10-bromo-1,2,3,4,4a,9,10,10a-octahydro-6-methoxy-1,4a-dimethyl-9-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenanthrenecarboxylic acid, 10-bromo-1,2,3,4,4a,9,10,...",NA,"CC12CCCC(C1C(C(=O)C3=C2C=C(C=C3)OC)Br)(C)C(=O)OC","VXNUYSOLTINORZ-UHFFFAOYSA-N",298002,NA,"PDBC10006","169600","Present",NA,NA
+"10007","1-Phenazinecarboxamide, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenazinecarboxamide, N-[2-(dimethylamino)ethyl]- 9-fl...",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)F.Cl","QVKNNMYMCVOCMI-UHFFFAOYSA-N",386521,NA,"PDBC10007","678925","Present",NA,NA
+"10008","1-Phenazinecarboxamide,9-dimethoxy-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenazinecarboxamide, N-[2-(dimethylamino)ethyl]- 6,9-...",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=CC=C(C3=N2)OC)OC.Cl","GTXSOJXQRYXSCB-UHFFFAOYSA-N",386517,NA,"PDBC10008","678917","Present",NA,NA
+"10009","1-Phenazinecarboxylic acid, (phenylmethylene)hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenazinecarboxylic acid, (phenylmethylene)hydrazide",NA,"C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC3=NC4=CC=CC=C4N=C32","NCDQQKMTJHWNED-FYJGNVAPSA-N",9572501,NA,"PDBC10009","718156","Present",NA,NA
+"10010","1-Phenazinol,8-bis(bromomethyl)-, 5,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenazinol, 7,8-bis(bromomethyl)-, 5,10-dioxide",NA,"C1=CC2=C(C(=C1)O)[N+](=C3C=C(C(=CC3=[N+]2[O-])CBr)CBr)[O-]","DOHNLUBBIMJCCQ-UHFFFAOYSA-N",135435456,NA,"PDBC10010","614050","Present",NA,NA
+"10011","1-Phenazinol,8-bis[(4-morpholinyl)methyl]-, 5,10-dioxide, hydrochloride (2:3)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenazinol, 7,8-bis[(4-morpholinyl)methyl]-, 5,10- dio...",NA,"C1COCCN1CC2=CC3=[N+](C4=C(C(=CC=C4)O)[N+](=C3C=C2CN5CCOCC5)[O-])[O-].Cl","LUDPSIUQZOCIFC-UHFFFAOYSA-N",135455540,NA,"PDBC10011","614049","Present",NA,NA
+"10012","1-Phenethyltriazole-4,5-dicarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenethyltriazole-4,5-dicarbohydrazide",NA,"C1=CC=C(C=C1)CCN2C(=C(N=N2)C(=O)NN)C(=O)NN","ACILKGLZDJBEMO-UHFFFAOYSA-N",386607,NA,"PDBC10012","679060","Present",NA,NA
+"10013","1-Phenoxathiin-2-yl-2-piperidin-1-ylethanone;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691890",NA,"C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3.I","LJYGZKNFZXAIDT-UHFFFAOYSA-N",392073,NA,"PDBC10013","691890","Present",NA,NA
+"10014","1-Phenoxy-3-(piperidin-1-yl)propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_003780",NA,"C1CCN(CC1)CC(COC2=CC=CC=C2)O","QPMPQYGUAKDGAE-UHFFFAOYSA-N",259475,NA,"PDBC10014","89435","Present",NA,NA
+"10015","1-Phenoxyacetone thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenoxyacetone thiosemicarbazone",NA,"CC(=NNC(=S)N)COC1=CC=CC=C1","STZXVFVALYCLRE-XYOKQWHBSA-N",9569903,NA,"PDBC10015","623640","Present",NA,NA
+"10016","1-Phenyl-1,2,3,6-tetrahydropyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-1,2,3,6-tetrahydropyridine",NA,"C1CN(CC=C1)C2=CC=CC=C2","WDJKAQCAPHSOIO-UHFFFAOYSA-N",357849,NA,"PDBC10016","617381","Present",NA,NA
+"10017","1-Phenyl-1,2-propanedione bis(4,4-dimethylthiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693330",NA,"CC(=NNC(=S)N(C)C)C(=NNC(=S)N(C)C)C1=CC=CC=C1","DTNIZTHKKUBNNT-HSVQFRAPSA-N",6399373,NA,"PDBC10017","693330","Present",NA,NA
+"10018","1-Phenyl-1,2-propanedione bis(4,4-pentamethylenethiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693331",NA,"CC(=NNC(=S)N1CCCCC1)C(=NNC(=S)N2CCCCC2)C3=CC=CC=C3","AGGKOEIEVKBFIK-ICSZDMAESA-N",6399374,NA,"PDBC10018","693331","Present",NA,NA
+"10019","1-Phenyl-1,2-propanedione bis(4-methylthiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693329",NA,"CC(=NNC(=S)NC)C(=NNC(=S)NC)C1=CC=CC=C1","IIYWMJZKABJHJV-KKYJLSSQSA-N",6399372,NA,"PDBC10019","693329","Present",NA,NA
+"10020","1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-1,3,8-triazaspiro[4.5]decan-2-one",NA,"C1CNCCC12CNC(=O)N2C3=CC=CC=C3","JHSFHXBUCVCLEB-UHFFFAOYSA-N",380011,NA,"PDBC10020","665307","Present",NA,NA
+"10021","1-Phenyl-1-(2-pyridinyl)-2-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-1-(2-pyridinyl)-2-butanone",NA,"CCC(=O)C(C1=CC=CC=C1)C2=CC=CC=N2","WIWLBLVULDGUQF-UHFFFAOYSA-N",238457,NA,"PDBC10021","42805","Present",NA,NA
+"10022","1-Phenyl-1-(trifluoromethyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-1-(trifluoromethyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)(C4=CC=CC=C4)C(F)(F)F","AEDWGXDMNJOYFH-UHFFFAOYSA-N",383938,NA,"PDBC10022","672903","Present",NA,NA
+"10023","1-Phenyl-1-penten-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC148201",NA,"CCC(=O)C=CC1=CC=CC=C1","LVGUHATVVHIJET-CMDGGOBGSA-N",5354490,NA,"PDBC10023","148201","Present",NA,NA
+"10024","1-Phenyl-2-(1-(2-methylimidazolyl))butanone-2,6-trichlor ophenylhydrazone . hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-2-(1-(2-methylimidazolyl))butanone-2,4,6-trichl...",NA,"CCC(C(=NNC1=C(C=C(C=C1Cl)Cl)Cl)C2=CC=CC=C2)N3C=CN=C3C","KVPXFJKDHHAEGO-PLRJNAJWSA-N",5482760,NA,"PDBC10024","628337","Present",NA,NA
+"10025","1-Phenyl-2-(3,4,5-tribromopyrazol-1-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-2-(3,4,5-tribromopyrazol-1-yl)ethanone",NA,"C1=CC=C(C=C1)C(=O)CN2C(=C(C(=N2)Br)Br)Br","VFXYTEYIICXJJO-UHFFFAOYSA-N",387513,NA,"PDBC10025","681324","Present",NA,NA
+"10026","1-Phenyl-2-(3-phenylbenzo[f]quinolin-1-yl)-1,2-ethanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-2-(3-phenylbenzo[f]quinolin-1-yl)-1,2-ethanedione",NA,"C1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C(=O)C(=O)C5=CC=CC=C5","XIRMQVYDGQOBQF-UHFFFAOYSA-N",379932,NA,"PDBC10026","665124","Present",NA,NA
+"10027","1-Phenyl-2-(4-phenyl-1,45-oxazinan-4-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-2-(4-phenyl-1,45-oxazinan-4-yl)ethanone",NA,"C1COCC[N+]1(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3","YCVTUSIXNJAXKA-UHFFFAOYSA-N",411628,NA,"PDBC10027","35427","Present",NA,NA
+"10028","1-Phenyl-2-(7H-purin-6-ylsulfanyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1-phenyl-2-(1H-purin-6-ylthio)- (9CI)",NA,"C1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2NC=N3","CMZUNZSPFKIPCD-UHFFFAOYSA-N",685688,NA,"PDBC10028","23082","Present",NA,NA
+"10029","1-Phenyl-2-[2,4,6-trimethyl-3,5-bis(2-oxo-2-phenyl-acetyl)phenyl]ethane-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-2-[2,4,6-trimethyl-3,5-bis(2-oxo-2-phenyl-acetyl)phenyl]ethane-1,2-dione",NA,"CC1=C(C(=C(C(=C1C(=O)C(=O)C2=CC=CC=C2)C)C(=O)C(=O)C3=CC=CC=C3)C)C(=O)C(=O)C4=CC=CC=C4","RJQBHOXZQLJGNW-UHFFFAOYSA-N",377507,NA,"PDBC10029","658992","Present",NA,NA
+"10030","1-Phenyl-2-o-aminophenylethene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-2-o-aminophenylethene",NA,"C1=CC=C(C=C1)C=CC2=CC=CC=C2N","BIEFDNUEROKZRA-KHPPLWFESA-N",5467947,NA,"PDBC10030","660426","Present",NA,NA
+"10031","1-Phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-2-piperidin-1-yldodecan-1-ol;hydrochloride",NA,"CCCCCCCCCCC(C(C1=CC=CC=C1)O)N2CCCCC2.Cl","MGOUEMGWEXDWQY-UHFFFAOYSA-N",54602375,NA,"PDBC10031","35482","Present",NA,NA
+"10032","1-Phenyl-2-thioxoimidazolidine-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kinome_3132",NA,"C1=CC=C(C=C1)N2C(=O)C(=O)NC2=S","URRIADZIXILTHY-UHFFFAOYSA-N",1550384,NA,"PDBC10032","671382","Present",NA,NA
+"10033","1-Phenyl-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline",NA,"C1C2=CC=CC=C2N=C3N1C(SC3)C4=CC=CC=C4","UIJBIPJELNWLPG-UHFFFAOYSA-N",395898,NA,"PDBC10033","700993","Present",NA,NA
+"10034","1-Phenyl-3-(1H-pyrrol-2-yl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Benzoyl-.beta.(.alpha.-pyrryl)ethylene",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC=CN2","IROAIBYOOAEFGE-CMDGGOBGSA-N",5929854,NA,"PDBC10034","643153","Present",NA,NA
+"10035","1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrole-2,5-dione",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4=CC(=O)N(C4=O)C5=CC=CC=C5","DGGPBBHDUMVWOZ-UHFFFAOYSA-N",381771,NA,"PDBC10035","668843","Present",NA,NA
+"10036","1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-(2-phenyl-1H-indol-3-yl)-pyrrolidine-2,5-dione",NA,"C1C(C(=O)N(C1=O)C2=CC=CC=C2)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5","QLIGVACFWXGFCQ-UHFFFAOYSA-N",363324,NA,"PDBC10036","628181","Present",NA,NA
+"10037","1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[3,4-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1H-pyrazolo[3,4-b]quinoxaline",NA,"C1=CC=C(C=C1)C2=NN=C(O2)C3=NN(C4=NC5=CC=CC=C5N=C34)C6=CC=CC=C6","BYJHUDSOAJICCH-UHFFFAOYSA-N",365574,NA,"PDBC10037","633369","Present",NA,NA
+"10038","1-Phenyl-3-(trifluoromethyl)-1,2,4-benzotriazine-7(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-phenyl-3-(trifluoromethyl)-1,2,4-benzotriazin-7(1H)-one",NA,"C1=CC=C(C=C1)N2C3=CC(=O)C=CC3=NC(=N2)C(F)(F)F","AEDFKBPHAFWPTR-UHFFFAOYSA-N",127049337,NA,"PDBC10038","780813","Present",NA,NA
+"10039","1-Phenyl-3-[(2-phenylquinoline-4-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_036442",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NNC(=S)NC4=CC=CC=C4","BNNDFMXTUZWVAA-UHFFFAOYSA-N",1354577,NA,"PDBC10039","687862","Present",NA,NA
+"10040","1-Phenyl-3-[(3-phenylimidazolidin-1-yl)methyl]imidazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-phenyl(imidazolidinil-1)methano",NA,"C1CN(CN1CN2CCN(C2)C3=CC=CC=C3)C4=CC=CC=C4","ZKMPAPGCXXQZJL-UHFFFAOYSA-N",6482345,NA,"PDBC10040","732248","Present",NA,NA
+"10041","1-Phenyl-3-[2-(1-methyl-1H-indol-2-yl)-1-methyl-1H-indol-3-yl]-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-[2-(1-methyl-1H-indol-2-yl)-1-methyl-1H-indol-3-yl]-1H-pyrrole-2,5-dione",NA,"CN1C2=CC=CC=C2C=C1C3=C(C4=CC=CC=C4N3C)C5=CC(=O)N(C5=O)C6=CC=CC=C6","KKAYPIDAIJGESD-UHFFFAOYSA-N",392072,NA,"PDBC10041","691884","Present",NA,NA
+"10042","1-Phenyl-3-[2-(triazol-1-yl)ethyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-[2-(triazol-1-yl)ethyl]urea",NA,"C1=CC=C(C=C1)NC(=O)NCCN2C=CN=N2","ZTOAAFQUOTXKBI-UHFFFAOYSA-N",386625,NA,"PDBC10042","679079","Present",NA,NA
+"10043","1-Phenyl-3-[2-[(2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepin)-1-yl]ethyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-[2-(2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepin-1-yl)ethyl]urea",NA,"CC1C=C(C2=CC=CC=C2N(C1C)CCNC(=O)NC3=CC=CC=C3)C","HNGRQKPBSRFERM-UHFFFAOYSA-N",379689,NA,"PDBC10043","664564","Present",NA,NA
+"10044","1-Phenyl-3-[4-(3-pyridin-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-[4-(3-pyridin-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)NC(=O)NC5=CC=CC=C5)C6=CC=CC=N6","FPCRUGZJSJVVFW-UHFFFAOYSA-N",24204656,NA,"PDBC10044","732408","Present",NA,NA
+"10045","1-Phenyl-3-[4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-[4-(3-thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylthiourea",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC5=CC=CC=C5)C6=CC=CS6","JYCMGFZEHOILAU-UHFFFAOYSA-N",24204641,NA,"PDBC10045","732393","Present",NA,NA
+"10046","1-Phenyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-[4-(3-thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylurea",NA,"C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=CS4)C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6","APAXIOIBXNLKJM-UHFFFAOYSA-N",24204665,NA,"PDBC10046","732417","Present",NA,NA
+"10047","1-Phenyl-3-[5-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydrooxazol-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-[5-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydrooxazol-2-yl]thiourea",NA,"C1CN(CCN1CC2CN=C(O2)NC(=S)NC3=CC=CC=C3)C4=CC=CC=C4","PXKDGDIVNXNKHC-UHFFFAOYSA-N",3005315,NA,"PDBC10047","690606","Present",NA,NA
+"10048","1-Phenyl-3-[5-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydrooxazol-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-[5-[(4-phenylpiperazin-1-yl)methyl]-4,5-dihydrooxazol-2-yl]urea",NA,"C1CN(CCN1CC2CN=C(O2)NC(=O)NC3=CC=CC=C3)C4=CC=CC=C4","YSORMAOUHNILBY-UHFFFAOYSA-N",394340,NA,"PDBC10048","697709","Present",NA,NA
+"10049","1-Phenyl-3-[[2-[2-[(phenylcarbamothioylamino)carbamoyl]anilino]benzoyl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-[[2-[2-[(phenylcarbamothioylamino)carbamoyl]anilino]benzoyl]amino]thiourea",NA,"C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NNC(=S)NC4=CC=CC=C4","VEWNGONVIQGYRF-UHFFFAOYSA-N",3005413,NA,"PDBC10049","698456","Present",NA,NA
+"10050","1-Phenyl-3-methyl-4-(4-hydroxybenzylidene)-2-pyrazoline-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-hydroxybenzylidene)-3-methyl-1-phenyl-4,5-dihydro-1...",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C3=CC=CC=C3","QBFSAJXVYXGHKA-LFIBNONCSA-N",135436329,NA,"PDBC10050","719572","Present",NA,NA
+"10051","1-Phenyl-3-pyridin-2-yl-1,2,4-benzotriazin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-phenyl-3-pyridin-2-yl-1,2,4-benzotriazin-7(1H)-one",NA,"C1=CC=C(C=C1)N2C3=CC(=O)C=CC3=NC(=N2)C4=CC=CC=N4","PZLFUJORFSGTRE-UHFFFAOYSA-N",155813562,NA,"PDBC10051","780815","Present",NA,NA
+"10052","1-Phenyl-3-pyridin-4-ylpropane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-(4-pyridinyl)-1,3-propanedione",NA,"C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=NC=C2","ALJURYJXCXVZFN-UHFFFAOYSA-N",238347,NA,"PDBC10052","42679","Present",NA,NA
+"10053","1-Phenyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4","FNMNLCSQXMVRNM-UHFFFAOYSA-N",372671,NA,"PDBC10053","648204","Present",NA,NA
+"10054","1-Phenyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarbonitrile",NA,"C1CCN(C1)C2=C(C(=S)N(C=N2)C3=CC=CC=C3)C#N","KYKBZEUSGDMZBA-UHFFFAOYSA-N",385035,NA,"PDBC10054","675888","Present",NA,NA
+"10055","1-Phenyl-4-(2,2,2-trichloro-1-(4-phenyl-1-piperazinyl)ethyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-4-(2,2,2-trichloro-1-(4-phenyl-1-piperazinyl)ethyl)piperazine",NA,"C1CN(CCN1C2=CC=CC=C2)C(C(Cl)(Cl)Cl)N3CCN(CC3)C4=CC=CC=C4","GVFBWTMJHYKXPR-UHFFFAOYSA-N",261331,NA,"PDBC10055","93317","Present",NA,NA
+"10056","1-Phenyl-4-(2-pyridinyl)-1-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-4-(2-pyridinyl)-1-butanone",NA,"C1=CC=C(C=C1)C(=O)CCCC2=CC=CC=N2","CRUVDMPFOYFNCE-UHFFFAOYSA-N",244895,NA,"PDBC10056","56227","Present",NA,NA
+"10057","1-Phenyl-4-[2-[2-(4-chlorobenzyl)-1H-benzimidazol-5-yl]ethyl]piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Chlorophenyl)methyl]-6-[2-(4-phenylpiperazin-1-yl)ethyl]-1H-benzimidazole",NA,"C1CN(CCN1CCC2=CC3=C(C=C2)N=C(N3)CC4=CC=C(C=C4)Cl)C5=CC=CC=C5","VPUAQCQMOIAGBY-UHFFFAOYSA-N",398950,NA,"PDBC10057","709318","Present",NA,NA
+"10058","1-Phenyl-4-cyano-5-hydroxy-1,2,3-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NWVVQSYREALGJH-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)N2C(=O)C(=NN2)C#N","MTCKUHKELYJWOG-UHFFFAOYSA-N",388862,NA,"PDBC10058","684056","Present",NA,NA
+"10059","1-Phenyl-4-methyl-8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-4-methyl-8-chloro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline",NA,"CC1=C2CCN(C2=C3C=C(C=CC3=N1)Cl)C4=CC=CC=C4","MGEIQNHPDIPDNE-UHFFFAOYSA-N",387226,NA,"PDBC10059","680788","Present",NA,NA
+"10060","1-Phenyl-4-methyl-8-fluoro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-4-methyl-8-fluoro-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline",NA,"CC1=C2CCN(C2=C3C=C(C=CC3=N1)F)C4=CC=CC=C4","ODRCSUDERKXLTQ-UHFFFAOYSA-N",387225,NA,"PDBC10060","680787","Present",NA,NA
+"10061","1-Phenyl-4-propoxy-6-propylsulfanylpyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-4-propoxy-6-(propylsulfanyl)-1h-pyrazolo[3,4-d]pyrimidine",NA,"CCCOC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SCCC","HJYNXQLPHAIUGN-UHFFFAOYSA-N",223750,NA,"PDBC10061","11663","Present",NA,NA
+"10062","1-Phenyl-5,6-bis(phenylsulfonyl)-4-hexen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649446",NA,"C1=CC=C(C=C1)C(=O)CCC=C(CS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","WGCZBHDSSBFPMJ-QJOMJCCJSA-N",5467262,NA,"PDBC10062","649446","Present",NA,NA
+"10063","1-Phenyl-5-(4-(trifluoromethyl)phenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-phenyl-5-(4-(trifluoromethyl)phenyl)-1H-imidazole",NA,"C1=CC=C(C=C1)N2C=NC=C2C3=CC=C(C=C3)C(F)(F)F","YKXFNILFIUDROS-UHFFFAOYSA-N",11162021,NA,"PDBC10063","734604","Present",NA,NA
+"10064","1-Phenyl-5-[5-(3-trifluoromethylphenyl)-1H-pyrazol-4-yl]-1H-tetrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-5-[5-(3-trifluoromethylphenyl)-1H-pyrazol-4-yl]...",NA,"C1=CC=C(C=C1)N2C(=NN=N2)C3=C(NN=C3)C4=CC(=CC=C4)C(F)(F)F","TUTIMSOIADPHJN-UHFFFAOYSA-N",135659246,NA,"PDBC10064","742219","Present",NA,NA
+"10065","1-Phenyl-8-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-8-[2-(2-sulfanylidene-1,3-dihydrobenzimidazol-5-yl)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one",NA,"C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCC4=CC5=C(C=C4)NC(=S)N5","KRDLZDUIJZBOCM-UHFFFAOYSA-N",5470860,NA,"PDBC10065","705935","Present",NA,NA
+"10066","1-Phenyl-9,10-dihydro-3H,8H-pyrido[3,2,1-ij]quinazolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-9,10-dihydro-3H,8H-pyrido[3,2,1-ij]quinazolin-3-one",NA,"C1CC2=CC=CN3C2=C(C1)C(=NC3=O)C4=CC=CC=C4","PLRKPSZTVDJKHD-UHFFFAOYSA-N",363995,NA,"PDBC10066","629617","Present",NA,NA
+"10067","1-Phenyl-cyclohexanecarboxylic acid ethyl-(2-hydroxy-ethyl)-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-cyclohexanecarboxylic acid ethyl-(2-hydroxy-ethyl)-amide",NA,"CCN(CCO)C(=O)C1(CCCCC1)C2=CC=CC=C2","JVGCULBLPKADKR-UHFFFAOYSA-N",379215,NA,"PDBC10067","663630","Present",NA,NA
+"10068","1-Phenylbutane-1,3-dione;thallium(3+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644933",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Tl+3]","RELYRZJQIUTGAJ-UHFFFAOYSA-N",11979346,NA,"PDBC10068","644933","Present",NA,NA
+"10069","1-Phenylbutane-1,3-dione;titanium(4+);(8R,10R,13S,17S)-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-olate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".cis.-Bis(17.alpha.-methyl-4-androstene-3-on-17.beta.-ol...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)[O-])C.CC12CCC(=O)C=C1CCC3C2CCC4(C3CCC4(C)[O-])C.Cl.[Ti+4]","JFTXWSIBWGIGGC-ZSBKUVGBSA-N",11969940,NA,"PDBC10069","641078","Present",NA,NA
+"10070","1-Phenylbutane-1,3-dione;titanium(4+);1,7,7-trimethylbicyclo[2.2.1]heptan-2-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[(1S-1,7,7-trimethyl-bicyclo[2.2.1]heptane-2-olato]- ...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC1(C2CCC1(C(C2)[O-])C)C.CC1(C2CCC1(C(C2)[O-])C)C.[Ti+4]","PCJBTRMEWXORGK-UHFFFAOYSA-N",368531,NA,"PDBC10070","639604","Present",NA,NA
+"10071","1-Phenylethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenylethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate",NA,"CC(C1=CC=CC=C1)OC(=O)NCN2C=C(N=N2)C3=CC=CC=C3","GGQNLONNVHMOBA-UHFFFAOYSA-N",386634,NA,"PDBC10071","679088","Present",NA,NA
+"10072","1-Phenylhexadecan-1-amine--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC23000",NA,"CCCCCCCCCCCCCCCC(C1=CC=CC=C1)N.Cl","KKFFILWRISXIAS-UHFFFAOYSA-N",53422562,NA,"PDBC10072","23000","Present",NA,NA
+"10073","1-Phenylphosphinane 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenylphosphinane 1-oxide",NA,"C1CCP(=O)(CC1)C2=CC=CC=C2","IDMWCMSMIDBTLE-UHFFFAOYSA-N",357423,NA,"PDBC10073","616253","Present",NA,NA
+"10074","1-Phenyltetrahydropyridazin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridazin-3(2H)-one, tetrahydro-1-phenyl",NA,"C1CC(=O)NN(C1)C2=CC=CC=C2","XHYBFCBDMIPDON-UHFFFAOYSA-N",367858,NA,"PDBC10074","638023","Present",NA,NA
+"10075","1-Piperazinecarboselenoic acid, [1-(2-pyridinyl)ethylidene]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperazinecarboselenoic acid, 4-(2-pyridinyl)-, [1-(2-...",NA,"CC(=NN=C(N1CCN(CC1)C2=CC=CC=N2)[Se])C3=CC=CC=N3","XHOWLJGNFHYYAE-PQBPFAQHSA-N",54598628,NA,"PDBC10075","328784","Present",NA,NA
+"10076","1-Piperazinecarbothioicacid, 4-(2-pyridinyl)-, (1-(6-methyl-2-pyridinyl)ethylidene)hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(6-me...",NA,"CC1=NC(=CC=C1)C(=NNC(=S)N2CCN(CC2)C3=CC=CC=N3)C","JIBKQOYQTHHUSH-RCCKNPSSSA-N",9554702,NA,"PDBC10076","335787","Present",NA,NA
+"10077","1-Piperazinecarboxylic acid, 4-[[[2-[(methoxycarbonyl)amino]-1H-benzimidazol-5-yl]amino]phenoxyphosphinyl]-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]amino]-phenoxyphosphoryl]piperazine-1-carboxylate",NA,"CCOC(=O)N1CCN(CC1)P(=O)(NC2=CC3=C(C=C2)N=C(N3)NC(=O)OC)OC4=CC=CC=C4","UJLSCGKUDJOFCY-UHFFFAOYSA-N",367664,NA,"PDBC10077","637580","Present",NA,NA
+"10078","1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4-methoxyphenoxy)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperazineethanol, 4-(4-chlorophenyl)-alpha-[(4- metho...",NA,"COC1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O","HNNUHKGIGFXJNI-UHFFFAOYSA-N",259580,NA,"PDBC10078","89602","Present",NA,NA
+"10079","1-Piperazinepropanesulfonic acid, platinum complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, (1,2-cyclohexanediamine-N,N') bis[4-(2-hydroxy...",NA,"C1CCC(C(C1)N)N.C1CN(CCN1CCCS(=O)(=O)[O-])CCO.C1CN(CCN1CCCS(=O)(=O)[O-])CCO.[Pt+4]","NXILDJGBNZIRLE-UHFFFAOYSA-L",24201990,NA,"PDBC10079","615590","Present",NA,NA
+"10080","1-Piperazinepropionamide, dimaleate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clothixamide Maleate",NA,"CNC(=O)CCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=CC(=O)O)C(=O)O","LNIQTKMWLVBWMX-LRAAMCGYSA-N",44144400,NA,"PDBC10080","78714","Present",NA,NA
+"10081","1-Piperazinethiocarboxylic acid, 4-(2-propynyl)-2-[1-(2-pyridinyl)ethylidene]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperazinethiocarboxylic acid, 4-(2-propynyl)- 2-[1-(2...",NA,"CC(=NNC(=S)N1CCN(CC1)CC#C)C2=CC=CC=N2","OGHLKBYOYCGJPR-GHRIWEEISA-N",5374787,NA,"PDBC10081","376266","Present",NA,NA
+"10082","1-Piperidinecarbodithioic acid, 2-oxo-2-((4,5,6,7-tetrahydro-2-benzothiazolyl)amino)ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperidinecarbodithioic acid, 2-oxo-2-((4,5,6,7-tetrahydro-2-benzothiazolyl)amino)ethyl ester",NA,"C1CCN(CC1)C(=S)SCC(=O)NC2=NC3=C(S2)CCCC3","HZICTKBQMOJVKO-UHFFFAOYSA-N",373880,NA,"PDBC10082","650843","Present",NA,NA
+"10083","1-Piperidinecarbodithioic acid, Cu(II) complex [2:1]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperidinecarbodithioic acid, Cu(II) complex [2:1]",NA,NA,NA,NA,NA,"PDBC10083","619320","Present",NA,NA
+"10084","1-Piperidinecarbodithioic acid,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperidinecarbodithioic acid, 2-[[5-(4-chlorophenyl)-1...",NA,"C1CCN(CC1)C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Cl","ZVCIZVZFAQBPTO-UHFFFAOYSA-N",399291,NA,"PDBC10084","709980","Present",NA,NA
+"10085","1-Piperidinecarbothioic acid, 2-ethyl-, (1-(2-pyridinyl)ethylidene)hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperidinecarbothioic acid, 2-ethyl-, [1-(2-pyridinyl)...",NA,"CCC1CCCCN1C(=S)NN=C(C)C2=CC=CC=N2","MZACWVULBYILQW-SFQUDFHCSA-N",9602153,NA,"PDBC10085","326061","Present",NA,NA
+"10086","1-Piperidineethanol, alpha-[p-(p-chlorostyryl)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperidineethanol, .alpha.-[p-(p-chlorostyryl)phenyl]-",NA,"C1CCN(CC1)CC(C2=CC=C(C=C2)C=CC3=CC=C(C=C3)Cl)O","QJUBRQLMPOZVNB-SNAWJCMRSA-N",5351150,NA,"PDBC10086","26040","Present",NA,NA
+"10087","1-Piperidinesulfonamide, N-(7-amino-2-naphthalenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperidinesulfonamide, N-(7-amino-2-naphthalenyl)-",NA,"C1CCN(CC1)S(=O)(=O)NC2=CC3=C(C=CC(=C3)N)C=C2","XRKVXXQHCZHMRY-UHFFFAOYSA-N",333624,NA,"PDBC10087","336053","Present",NA,NA
+"10088","1-Prop-2-enyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Prop-2-enyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one",NA,"C=CCC1=C2CCCCC2CCC1=O","APSFXQPNAJDFOC-UHFFFAOYSA-N",359293,NA,"PDBC10088","620037","Present",NA,NA
+"10089","1-Propanamine, 3-fluoro-N-(2-fluoro-2,2-dinitroethyl)-3,3-dinitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanamine, 3-fluoro-N-(2-fluoro-2,2-dinitroethyl)-3,3-dinitro-",NA,"C(CNCC([N+](=O)[O-])([N+](=O)[O-])F)C([N+](=O)[O-])([N+](=O)[O-])F","LYCRWTLFFAUEDK-UHFFFAOYSA-N",388363,NA,"PDBC10089","683258","Present",NA,NA
+"10090","1-Propanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanesulfonic acid (8CI9CI)",NA,"CCCS(=O)(=O)O","KCXFHTAICRTXLI-UHFFFAOYSA-N",78938,NA,"PDBC10090","87882","Present",NA,NA
+"10091","1-Propanone, 1-(3,4-dichlorophenyl)-3-(diethylamino)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanone, 1-(3,4-dichlorophenyl)-3-(diethylamino)-, hydrochloride",NA,"CCN(CC)CCC(=O)C1=CC(=C(C=C1)Cl)Cl.Cl","QIMWEGRZUORXTJ-UHFFFAOYSA-N",376386,NA,"PDBC10091","657299","Present",NA,NA
+"10092","1-Propanone, 1-[9-(acetyloxy)-6,7,10,11-tetrahydro-5,12-dimethyl-6,10-imino-5H-cyclooct[b]indol-8-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,16-Dimethyl-14-propanoyl-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8,13-pentaen-13-yl) acetate",NA,"CCC(=O)C1=C(C2CC3=C(C(C1)N2C)N(C4=CC=CC=C34)C)OC(=O)C","CHQJLOOUPOTVOL-UHFFFAOYSA-N",363934,NA,"PDBC10092","629422","Present",NA,NA
+"10093","1-Propanone, 3-(diethylamino)-1-(4-methylphenyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanone, 3-(diethylamino)-1-(4-methylphenyl)-, hydrochloride",NA,"CCN(CC)CCC(=O)C1=CC=C(C=C1)C.Cl","HSDTYCZCZBOCTG-UHFFFAOYSA-N",376382,NA,"PDBC10093","657297","Present",NA,NA
+"10094","1-Propanone, O-[[(4-fluoro-3-nitrophenyl)amino]carbonyl]oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanone, 1-chloro-2-methyl-, O-[[(4-fluoro- 3-nitrop...",NA,"CC(C)C(=NOC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])Cl","KZPBNWWJDKUBNU-XNTDXEJSSA-N",5494379,NA,"PDBC10094","693885","Present",NA,NA
+"10095","1-Propanone,4,5,6-tetrahydro-2-pyrimidinyl)thio]-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanone, 1-(4-fluorophenyl)-3-[(1,4,5,6-tetrahydro-2...",NA,"C1CNC(=NC1)SCCC(=O)C2=CC=C(C=C2)F.Cl","BKJIVSARVARZOC-UHFFFAOYSA-N",24196628,NA,"PDBC10095","230683","Present",NA,NA
+"10096","1-Propene-1,3-tricarboxylic acid, tris(1-methylheptyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-PROPENE-1,2,3-TRICARBOXYLIC ACID, TRIS(1-METHYLHEPTYL)...",NA,"CCCCCCC(C)OC(=O)CC(=CC(=O)OC(C)CCCCCC)C(=O)OC(C)CCCCCC","RXTMUOCSWOCZNI-HPNDGRJYSA-N",5354177,NA,"PDBC10096","2426","Present",NA,NA
+"10097","1-Propyl-2-thioxo-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tetrahydro-4(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propyl-2-thioxo-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tetrahydro-4(1H)-pyrimidinone",NA,"CCCN1CCC(=O)N(C1=S)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","NLRBETSQRXNRRY-UHFFFAOYSA-N",376168,NA,"PDBC10097","656702","Present",NA,NA
+"10098","1-Propynyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"propynyl tosylate",NA,"CC#COS(=O)(=O)C1=CC=C(C=C1)C","FXXOTIUPVOHDQK-UHFFFAOYSA-N",371537,NA,"PDBC10098","645865","Present",NA,NA
+"10099","1-Pyrazol-1-yl-N,N-bis(pyrazol-1-ylmethyl)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TPMA",NA,"C1=CN(N=C1)CN(CN2C=CC=N2)CN3C=CC=N3","HYOJQGHREHOFOB-UHFFFAOYSA-N",361765,NA,"PDBC10099","625031","Present",NA,NA
+"10100","1-Pyridin-3-yl-N,N'-di(quinolin-8-yl)methanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Pyridin-3-yl-N,N'-di(quinolin-8-yl)methanediamine",NA,"C1=CC2=C(C(=C1)NC(C3=CN=CC=C3)NC4=CC=CC5=C4N=CC=C5)N=CC=C2","NDIPQSFKKQBZPM-UHFFFAOYSA-N",360171,NA,"PDBC10100","622143","Present",NA,NA
+"10101","1-S-Dimethylarsino-1-thio-<U+00E2>",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"-d-xylose",NA,"C[As](C)SC1C(C(C(CO1)O)O)O","KWUPACLXXTYLJP-UHFFFAOYSA-N",24203222,NA,"PDBC10101","727221","Present",NA,NA
+"10102","1-S-Dimethylarsino-1-thio-D-ribose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-S-dimethylarsino-1-thio-D-ribose",NA,"C[As](C)SC1C(C(C(O1)CO)O)O","CBTJUISHFWCGCG-UHFFFAOYSA-N",24203223,NA,"PDBC10102","727222","Present",NA,NA
+"10103","1-Tert-Butyl 4-(2-(hydroxy(oxido)amino)vinyl) 2-butenedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O4-tert-butyl O1-[(E)-2-nitrovinyl] (E)-but-2-enedioate",NA,"CC(C)(C)OC(=O)C=CC(=O)OC=C[N+](=O)[O-]","ADMRPDUHPLIROV-YTXTXJHMSA-N",5470341,NA,"PDBC10103","699788","Present",NA,NA
+"10104","1-Tert-Butyl 4-methyl 1,4-cubanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-Butyl 4-methyl 1,4-cubanedicarboxylate",NA,"CC(C)(C)OC(=O)C12C3C4C1C5C2C3C45C(=O)OC","SSXKLFUEFYGJES-UHFFFAOYSA-N",369215,NA,"PDBC10104","640921","Present",NA,NA
+"10105","1-Tert-Butyl-2-(1-isocyanato-1-methylethyl)diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-t-Butylazo-2-isocyanatopropane",NA,"CC(C)(C)N=NC(C)(C)N=C=O","BJABUROLFMMCQB-UHFFFAOYSA-N",373155,NA,"PDBC10105","649096","Present",NA,NA
+"10106","1-Tert-Butyl-2-(10-chloro-9-anthryl)-4-methyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-butyl-2-(10-chloroanthracen-9-yl)-4-methyl-1,2,4-triazolidine-3,5-dione",NA,"CC(C)(C)N1C(=O)N(C(=O)N1C2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl)C","INBBOFPYFCXYBM-UHFFFAOYSA-N",391913,NA,"PDBC10106","691594","Present",NA,NA
+"10107","1-Tert-Butyl-2-(2-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-Butyl-2-(2-methoxyphenyl)-4-methyl-1,2,4-triazolidine-3,5-dione",NA,"CC(C)(C)N1C(=O)N(C(=O)N1C2=CC=CC=C2OC)C","YDKLLNOIEBMMEB-UHFFFAOYSA-N",391919,NA,"PDBC10107","691599","Present",NA,NA
+"10108","1-Tert-Butyl-4-isopropyl-2-phenyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-Butyl-4-isopropyl-2-phenyl-1,2,4-triazolidine-3,5-dione",NA,"CC(C)N1C(=O)N(N(C1=O)C(C)(C)C)C2=CC=CC=C2","SRDMSMDMQUROHM-UHFFFAOYSA-N",390094,NA,"PDBC10108","687037","Present",NA,NA
+"10109","1-Tert-Butyl-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-Butyl-4-methyl-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,"CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2C(C)(C)C)C)C)C","MOYFACQLAPYOMZ-UHFFFAOYSA-N",391911,NA,"PDBC10109","691592","Present",NA,NA
+"10110","1-Tert-butyl 2-methyl pyrrolidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Pro-OMe",NA,"CC(C)(C)OC(=O)N1CCCC1C(=O)OC","WVDGSSCWFMSRHN-UHFFFAOYSA-N",394147,NA,"PDBC10110","697381","Present",NA,NA
+"10111","1-Tert-butyl-2-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-butyl-2-cyanoguanidine",NA,"CC(C)(C)N=C(N)NC#N","NGKJPYUHFKVHOJ-UHFFFAOYSA-N",382485,NA,"PDBC10111","670091","Present",NA,NA
+"10112","1-Tert-butyl-3-(1-tert-butyldiaziridin-3-yl)diaziridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK674936",NA,"CC(C)(C)N1C(N1)C2NN2C(C)(C)C","PCVCMPOFRFEMRA-UHFFFAOYSA-N",392981,NA,"PDBC10112","694223","Present",NA,NA
+"10113","1-Tert-butyl-3-(3-fluoro-1-adamantyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-butyl-3-(3-fluoro-1-adamantyl)urea",NA,"CC(C)(C)NC(=O)NC12CC3CC(C1)CC(C3)(C2)F","YFOLUJOWQNCARG-UHFFFAOYSA-N",371830,NA,"PDBC10113","646346","Present",NA,NA
+"10114","1-Tert-butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-butyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,"CC1=NC(=CC=C1)C=NNC(=S)NC(C)(C)C","WOZWUGLWBHDQPN-MDWZMJQESA-N",9571909,NA,"PDBC10114","670787","Present",NA,NA
+"10115","1-Tert-butyl-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-butyl-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,"CC(C)(C)NC(=S)NN=CC1=CC=CC=N1","ULLQNBIDEXPKQN-MDWZMJQESA-N",9571908,NA,"PDBC10115","670786","Present",NA,NA
+"10116","1-Tert-butylazetidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-butylazetidine-2-carboxamide",NA,"CC(C)(C)N1CCC1C(=O)N","IKWQUKXRSSVXMT-UHFFFAOYSA-N",282398,NA,"PDBC10116","135862","Present",NA,NA
+"10117","1-Tetracyclo[3.3.2.02,4.06,8]decanylmethyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tetracyclo[3.3.2.02,4.06,8]decanylmethyl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(C4C2C4)C5C3C5","STGKWPIGBBQXRZ-UHFFFAOYSA-N",372431,NA,"PDBC10117","647545","Present",NA,NA
+"10118","1-Tetradecylpyridin-1-ium-3-carboxamide;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tetradecylpyridin-1-ium-3-carboxamide;bromide",NA,"CCCCCCCCCCCCCC[N+]1=CC=CC(=C1)C(=O)N.[Br-]","PDKQYPVFZJXIBB-UHFFFAOYSA-N",24182122,NA,"PDBC10118","13835","Present",NA,NA
+"10119","1-Tetradecylpyridin-1-ium-4-carboxamide;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tetradecylpyridin-1-ium-4-carboxamide;bromide",NA,"CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)N.[Br-]","LJSRDWAEJDLUSN-UHFFFAOYSA-N",24193325,NA,"PDBC10119","151060","Present",NA,NA
+"10120","1-Thioformyl-4-p-toluenesulfonylpiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Thioformyl-4-p-toluenesulfonylpiperazine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C=S","NYCHGBMMMPEZIW-UHFFFAOYSA-N",367806,NA,"PDBC10120","637831","Present",NA,NA
+"10121","1-Tosyl-2,3-diphenyl-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tosyl-2,3-diphenyl-1H-indole",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C2C4=CC=CC=C4)C5=CC=CC=C5","REJLZBHFAFIOFB-UHFFFAOYSA-N",372863,NA,"PDBC10121","648553","Present",NA,NA
+"10122","1-Tosyl-3-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tosyl-3-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)pyrrolidine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)(CC(C)C)C3=CC(=C(C=C3)OC)OC","VVDPTPKPSDGQJK-UHFFFAOYSA-N",394152,NA,"PDBC10122","697386","Present",NA,NA
+"10123","1-Tosyl-3-(3,4-dimethoxyphenyl)-3-ethylpyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tosyl-3-(3,4-dimethoxyphenyl)-3-ethylpyrrolidine",NA,"CCC1(CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C)C3=CC(=C(C=C3)OC)OC","XVILPSRWJHSAHH-UHFFFAOYSA-N",394151,NA,"PDBC10123","697385","Present",NA,NA
+"10124","1-Tosyl-3-[4-(trifluoromethyl)-2-pyridinyl]-5-bromo-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tosyl-3-[4-(trifluoromethyl)-2-pyridinyl]-5-bromo-1H-indole",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C4=NC=CC(=C4)C(F)(F)F","VQUKOOSIUVXOHM-UHFFFAOYSA-N",403581,NA,"PDBC10124","718634","Present",NA,NA
+"10125","1-Tricyclo[3.2.1.02,4]octanylmethyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tricyclo[3.2.1.02,4]octanylmethyl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(C2)C4C3C4","XGWQFTMPQGPTQI-UHFFFAOYSA-N",372433,NA,"PDBC10125","647547","Present",NA,NA
+"10126","1-Tricyclo[3.2.2.02,4]nonanylmethyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tricyclo[3.2.2.02,4]nonanylmethyl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCC23CCC(CC2)C4C3C4","OWMLFOIVYPQKRR-UHFFFAOYSA-N",372434,NA,"PDBC10126","647548","Present",NA,NA
+"10127","1-Trityl-1H-imidazole-4-methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-500499",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)CO","DVQYFYUODSFBFS-UHFFFAOYSA-N",382182,NA,"PDBC10127","669641","Present",NA,NA
+"10128","1-Vinyl-3alpha-phenoxy-4alpha-phenylazetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643195",NA,"C=CN1C(C(C1=O)OC2=CC=CC=C2)C3=CC=CC=C3","MOPAPKQYPNDGNF-JKSUJKDBSA-N",370336,NA,"PDBC10128","643195","Present",NA,NA
+"10129","1-[(1'S,4'R)-4-(Benzenesulfonylmethyl)-7',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(1'S,4'R)-4-(Benzenesulfonylmethyl)-7',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]-N,N-di(propan-2-yl)methanesulfonamide",NA,"CC(C)N(C(C)C)S(=O)(=O)CC12CCC(C1(C)C)CC23OCC(O3)CS(=O)(=O)C4=CC=CC=C4","JYCVSRTZSSTKLF-NSPZDWCRSA-N",399377,NA,"PDBC10129","710097","Present",NA,NA
+"10130","1-[(1,3-Dioxoindan-2-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(1,3-Dioxoindan-2-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea",NA,"C1=CC=C2C(=C1)C(=C(C2=O)C=NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)O","TZPWAVARCDAOPF-DJKKODMXSA-N",135409114,NA,"PDBC10130","658348","Present",NA,NA
+"10131","1-[(11R,15S)-8-Hydroxy-14,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-9-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(11R,15S)-8-Hydroxy-14,16-dioxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-9-yl]ethanone",NA,"CC(=O)C1=C(C2=CC=CC=C2C3=C1C4CCOC4O3)O","SIHVIONEGYDVAJ-BZNIZROVSA-N",405258,NA,"PDBC10131","722393","Present",NA,NA
+"10132","1-[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]piperidine",NA,"C1CCN(CC1)C(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","VOZWCKGHLLJQCB-CLFYSBASSA-N",3004947,NA,"PDBC10132","665087","Present",NA,NA
+"10133","1-[(1E)-3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(1E)-3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]piperidine",NA,"C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C=NC=N2","ZPOMVBJHHLCVBP-PKNBQFBNSA-N",5470206,NA,"PDBC10133","698388","Present",NA,NA
+"10134","1-[(1R,2R,9R,10S,11S,14R,15R,21R)-1,2,15,20,20-Pentamethyl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-5-en-9-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-deoxy-3-homo-3-aza-20-oxo-lup-17(22)-en",NA,"CC(=O)C1CCC=C2C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C","QDIQXYHVGBVLJQ-GAGWWGQUSA-N",155817317,NA,"PDBC10134","801866","Present",NA,NA
+"10135","1-[(1R,4S)-3-Amino-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(1R,4S)-3-Amino-4-(hydroxymethyl)cyclopentyl]-5-[(E)-2-bromoethenyl]pyrimidine-2,4-dione",NA,"C1C(CC(C1CO)N)N2C=C(C(=O)NC2=O)C=CBr","MZFCLRQZFOMKPM-CXXRZQJKSA-N",5466680,NA,"PDBC10135","641033","Present",NA,NA
+"10136","1-[(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-2-hydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(1S,2S,13R,21R)-22-(Cyclopropylmethyl)-2-hydroxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-16-yl]ethanone",NA,"CC(=O)C1=C2C3=C(CC4C5(C3(CCN4CC6CC6)C(O2)C7=C(C5)C8=CC=CC=C8N7)O)C=C1","ADUYWCQHBUMOPT-CSZVXOJQSA-N",5471404,NA,"PDBC10136","711026","Present",NA,NA
+"10137","1-[(1Z,3E)-4-(Benzotriazol-1-yl)-1,4-dichloro-3-nitro-buta-1,3-dienyl]benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(1Z,3E)-4-(Benzotriazol-1-yl)-1,4-dichloro-3-nitro-buta-1,3-dienyl]benzotriazole",NA,"C1=CC=C2C(=C1)N=NN2C(=CC(=C(N3C4=CC=CC=C4N=N3)Cl)[N+](=O)[O-])Cl","ZACOVMXRKJFRPR-SMZCMUPTSA-N",6477449,NA,"PDBC10137","665096","Present",NA,NA
+"10138","1-[(1r,2r,3As,3bs,10ar,10bs,11s,12as)-1,11-dihydroxy-2,5,10a,12a-tetramethyl-7-phenyl-1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydrocyclopenta[5,6]naphtho[1,2-f]indazol-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ketone, 1,2,3,3a,3b,7,10,10a,10b,11,12,12a-dodecahydro-1...",NA,"CC1CC2C3C=C(C4=CC5=C(CC4(C3C(CC2(C1(C(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C","JNLRDLXILRYUQT-RCBUNWFXSA-N",255437,NA,"PDBC10138","80997","Present",NA,NA
+"10139","1-[(2(3)-Amino-3(2)-cyanoquinoxalin-6-yl N(sub 1),N(sub ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2(3)-Amino-3(2)-cyanoquinoxalin-6-yl N(sub 1),N(sub ...",NA,NA,NA,NA,NA,"PDBC10139","715793","Present",NA,NA
+"10140","1-[(2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl]pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl]pyrrolidine",NA,"CCCC[Sn]1(OCC(O1)CN2CCCC2)CCCC","BCFRNVBTEWLIOQ-UHFFFAOYSA-N",16683166,NA,"PDBC10140","633499","Present",NA,NA
+"10141","1-[(2,4-Dibromophenoxy)acetyl]-3-(5-nitro-2-furyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2,4-Dibromophenoxy)acetyl]-3-(5-nitro-2-furyl)-5-phenyl-4,5-dihydro-1H-pyrazol-5-ol",NA,"C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=C(C=C(C=C3)Br)Br)C4=CC=C(O4)[N+](=O)[O-]","VTSGAKSXJRYNQN-UHFFFAOYSA-N",367873,NA,"PDBC10141","638039","Present",NA,NA
+"10142","1-[(2,4-Dichlorophenyl)methyl]-2-propan-2-yl-imidazole; nitric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2,4-Dichlorophenyl)methyl]-2-propan-2-yl-imidazole; nitric acid",NA,"CC(C)C1=NC=CN1CC2=C(C=C(C=C2)Cl)Cl.[N+](=O)(O)[O-]","LWIDRZHNSJZQGP-UHFFFAOYSA-N",3246553,NA,"PDBC10142","196002","Present",NA,NA
+"10143","1-[(2,4-Dimethoxyphenyl)methyl]-3,3-dimethylazetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2,4-Dimethoxyphenyl)methyl]-3,3-dimethylazetidin-2-one",NA,"CC1(CN(C1=O)CC2=C(C=C(C=C2)OC)OC)C","IETVEXQRWQFDLV-UHFFFAOYSA-N",357696,NA,"PDBC10143","617213","Present",NA,NA
+"10144","1-[(2,6-Dimethyl-5-oxo-3-thioxo-1,2,4-triazin-4-yl)carbamothioyl]-1,3-dimethyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2,6-Dimethyl-5-oxo-3-thioxo-1,2,4-triazin-4-yl)carbamothioyl]-1,3-dimethyl-thiourea",NA,"CC1=NN(C(=S)N(C1=O)NC(=S)N(C)C(=S)NC)C","VPWIAHKZEGPNQH-UHFFFAOYSA-N",3004442,NA,"PDBC10144","655069","Present",NA,NA
+"10145","1-[(2-Acetoxyethoxy)methy]-5-(m-benzyloxy)benzylidenebarbituric Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Acetoxyethoxy)methy]-5-(m-benzyloxy)benzylidenebar...",NA,"CC(=O)OCCOCN1C(=O)C(=CC2=CC(=CC=C2)OCC3=CC=CC=C3)C(=O)NC1=O","KFBYQZHPBRAGCM-MOSHPQCFSA-N",5469295,NA,"PDBC10145","685363","Present",NA,NA
+"10146","1-[(2-Acetoxyethoxy)methyl]barbituric Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Acetoxyethoxy)methyl]barbituric Acid",NA,"CC(=O)OCCOCN1C(=O)CC(=O)NC1=O","GTLSZXVPIAVXIH-UHFFFAOYSA-N",389358,NA,"PDBC10146","685362","Present",NA,NA
+"10147","1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-(cyclobutanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]-2-(cyclobutanecarbonyl)-1,3,4,5,7,8-hexahydroisoquinolin-6-one",NA,"COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)C4CCC4)CC(=O)CC3)O","CWPBBHOOZTYYBD-UHFFFAOYSA-N",401793,NA,"PDBC10147","715523","Present",NA,NA
+"10148","1-[(2-Chlorophenyl)methyl]-5-nitro-2H-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Chlorophenyl)methyl]-5-nitro-2H-indazol-3-one",NA,"C1=CC=C(C(=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)Cl","BEJVFLFTKMAJCM-UHFFFAOYSA-N",384996,NA,"PDBC10148","675823","Present",NA,NA
+"10149","1-[(2-Hydroxy-5,5,8,8-tetramethyl-tetralin-1-yl)methyl]-5,5,8,8-tetramethyl-tetralin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Hydroxy-5,5,8,8-tetramethyl-tetralin-1-yl)methyl]-5,5,8,8-tetramethyl-tetralin-2-ol",NA,"CC1(CCC(C2=C1C=CC(=C2CC3=C(C=CC4=C3C(CCC4(C)C)(C)C)O)O)(C)C)C","INPPHCDHMWZOBY-UHFFFAOYSA-N",268787,NA,"PDBC10149","109197","Present",NA,NA
+"10150","1-[(2-Hydroxyphenyl)carbonyl]-4-[(3-methoxy-4-hydroxyphenyl)methylene]-3-methyl-2-pyrazolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-2-(2-Hydroxybenzoyl)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)O)OC)C(=O)C3=CC=CC=C3O","URAHCRSLMJYETI-NTEUORMPSA-N",135499336,NA,"PDBC10150","652179","Present",NA,NA
+"10151","1-[(2-Imidazoline-2-yloxy)amino]-3-methylcyclohexane-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4,5-Dihydro-1H-imidazol-2-yloxy)amino]-3-methylcyclo...",NA,"CC1CCCC(C1)(C#N)NOC2=NCCN2","WRTNENLRAPCLKW-UHFFFAOYSA-N",11736196,NA,"PDBC10151","730736","Present",NA,NA
+"10152","1-[(2-Imidazoline-2-yloxy)amino]-4-methylcyclohexane-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4,5-Dihydro-1H-imidazol-2-yloxy)amino]-4-methylcyclo...",NA,"CC1CCC(CC1)(C#N)NOC2=NCCN2","APILMGJQVBNJPB-UHFFFAOYSA-N",11148771,NA,"PDBC10152","730735","Present",NA,NA
+"10153","1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidine-4-carboxylic acid",NA,"COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCC(CC5)C(=O)O)OCO4","BXDITWFRCRAMCI-UHFFFAOYSA-N",16748947,NA,"PDBC10153","736596","Present",NA,NA
+"10154","1-[(2-Methoxyphenyl)methyl]-5-nitro-2H-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Methoxyphenyl)methyl]-5-nitro-2H-indazol-3-one",NA,"COC1=CC=CC=C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2","VTSOYKJSMOBYQD-UHFFFAOYSA-N",384997,NA,"PDBC10154","675824","Present",NA,NA
+"10155","1-[(2-Methylquinolin-3-yl)methyl]-3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decane;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-methylquinolin-3-yl)methyl]-3,5,7-triaza-1-azoniat...",NA,"CC1=NC2=CC=CC=C2C=C1C[N+]34CN5CN(C3)CN(C5)C4.[Br-]","IYASYYOEAXFOPQ-UHFFFAOYSA-M",5458295,NA,"PDBC10155","141562","Present",NA,NA
+"10156","1-[(2-Phenylquinoline-4-carbonyl)amino]-3-(p-tolyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Phenylquinoline-4-carbonyl)amino]-3-(p-tolyl)thiourea",NA,"CC1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","IWTXYLUPSHUNFR-UHFFFAOYSA-N",3005267,NA,"PDBC10156","687864","Present",NA,NA
+"10157","1-[(2-Sulfanylidene-1,3-benzothiazol-3-yl)sulfonyl]-3-(1,3,4-thiadiazol-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3,4-Thiadiazol-2-yl)-1-[(2-thioxo-1,3-benzothiazol-3-yl)sulfonyl]urea",NA,"C1=CC=C2C(=C1)N(C(=S)S2)S(=O)(=O)NC(=O)NC3=NN=CS3","WJABXMXBAAXJQD-UHFFFAOYSA-N",398810,NA,"PDBC10157","708949","Present",NA,NA
+"10158","1-[(2E)-2-Benzylidenehydrazino]-4-oxa-2-azaspiro[4.5]dec-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2E)-2-Benzylidenehydrazino]-4-oxa-2-azaspiro[4.5]dec-1-en-3-one",NA,"C1CCC2(CC1)C(=NN=CC3=CC=CC=C3)NC(=O)O2","LOLBKOWYYPSLTE-LFIBNONCSA-N",135493925,NA,"PDBC10158","682129","Present",NA,NA
+"10159","1-[(2E)-2-Hydroxyimino-1-bicyclo[2.2.1]heptanyl]-N,N-di(propan-2-yl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2E)-2-Hydroxyimino-1-bicyclo[2.2.1]heptanyl]-N,N-di(propan-2-yl)methanesulfonamide",NA,"CC(C)N(C(C)C)S(=O)(=O)CC12CCC(C1)CC2=NO","NJYVNOMRLMLSSH-FYWRMAATSA-N",9572153,NA,"PDBC10159","705168","Present",NA,NA
+"10160","1-[(2R,4S,5R)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2R,4S,5R)-5-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[methoxy(methyl)phosphinothioyl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OP(=S)(C)OC","GNXXDTSYDREFSR-KFEFBBAKSA-N",9572423,NA,"PDBC10160","716002","Present",NA,NA
+"10161","1-[(2R,6R)-6-Methylpiperidin-2-yl]nonan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2R,6R)-6-Methylpiperidin-2-yl]nonan-3-ol",NA,"CCCCCCC(CCC1CCCC(N1)C)O","XMQISTWKAYJRTI-GRKKQISMSA-N",370503,NA,"PDBC10161","643724","Present",NA,NA
+"10162","1-[(2S,3R)-2,8-Dimethyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanone;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2s,3r)-2,8-Dimethyl-3-phenyl-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanone hydrobromide",NA,"CC1C(CC2(O1)CCN(CC2)C)(C3=CC=CC=C3)C(=O)C.Br","ONDWEYAZIYYQMY-NKGQWRHHSA-N",395104,NA,"PDBC10162","699395","Present",NA,NA
+"10163","1-[(2S,3R,4S,5R)-4-[Dimethyl(phenyl)silyl]oxy-5-(hydroxymethyl)-2,3,5-trimethyloxolan-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2S,3R,4S,5R)-4-[Dimethyl(phenyl)silyl]oxy-5-(hydroxymethyl)-2,3,5-trimethyloxolan-3-yl]ethanone",NA,"CC1C(C(C(O1)(C)CO)O[Si](C)(C)C2=CC=CC=C2)(C)C(=O)C","MMCUZIIBJNFDQR-DZOHQFGASA-N",401783,NA,"PDBC10163","715513","Present",NA,NA
+"10164","1-[(2S,3R,5E)-2-Methyl-5-(phenylmethoxymethylidene)oxolan-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2S,3R,5E)-2-Methyl-5-(phenylmethoxymethylidene)oxolan-3-yl]ethanone",NA,"CC1C(CC(=COCC2=CC=CC=C2)O1)C(=O)C","HPAYDONQDAQPIU-MCGVVMAKSA-N",5470309,NA,"PDBC10164","699390","Present",NA,NA
+"10165","1-[(2Z)-1-(4-Chlorophenyl)sulfanyl-2-(3-imino-6-methyl-2H-1,2,4-triazin-5-ylidene)ethyl]naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2Z)-2-(3-Amino-6-methyl-2H-1,2,4-triazin-5-ylidene)-1-(4-chlorophenyl)sulfanylethyl]naphthalen-2-ol",NA,"CC1=NNC(=NC1=CC(C2=C(C=CC3=CC=CC=C32)O)SC4=CC=C(C=C4)Cl)N","PSDAYKPTEPNXQE-PDGQHHTCSA-N",5797894,NA,"PDBC10165","698027","Present",NA,NA
+"10166","1-[(2Z)-3-Amino-3-phenylprop-2-enoyl]-3-phenyl-1H-pyrazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2Z)-3-amino-3-phenylprop-2-enoyl]-3-phenyl-1H-pyrazo...",NA,"C1=CC=C(C=C1)C2=NN(C(=C2)N)C(=O)C=C(C3=CC=CC=C3)N","GFEWMFOBMTXLAQ-PTNGSMBKSA-N",21825201,NA,"PDBC10166","749518","Present",NA,NA
+"10167","1-[(3,4-Dimethoxyphenyl)sulfonyl]piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IM-25",NA,"COC1=C(C=C(C=C1)S(=O)(=O)N2CCNCC2)OC","FFTNIOVRBBMUEN-UHFFFAOYSA-N",2769442,NA,"PDBC10167","783360","Present",NA,NA
+"10168","1-[(3,5-Ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]-3-(2,6-diisopropylphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(3,5-Ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]-3-(2,6-diisopropylphenyl)thiourea",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=S)N=NC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C","BGOSZMJCHZCMNE-UHFFFAOYSA-N",3004375,NA,"PDBC10168","648904","Present",NA,NA
+"10169","1-[(3-Bromo-4,5-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolin-2-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromo-4,5-dimethoxybenzyl)-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinolinium iodide",NA,"C[N+]1=C(C2=CC(=C(C=C2CC1)OC)OC)CC3=CC(=C(C(=C3)Br)OC)OC.[I-]","GICCZHMJCCKPCW-UHFFFAOYSA-M",371240,NA,"PDBC10169","645297","Present",NA,NA
+"10170","1-[(3-Chlorophenyl)methyl]-3-[[1-[(3-chlorophenyl)methyl]indol-3-yl]methyl]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole, 3,3'-methylenebis[1-[(3-chlorophenyl)methyl]-",NA,"C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)CC4=CN(C5=CC=CC=C54)CC6=CC(=CC=C6)Cl","CBHFDXLUFCROKD-UHFFFAOYSA-N",52951232,NA,"PDBC10170","766018","Present",NA,NA
+"10171","1-[(3-Methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-1H-indazol-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(3-methyl-4-nitro-1H-pyrazol-5-yl)carbonyl]-1H-indazo...",NA,"CC1=C(C(=NN1)C(=O)N2C3=CC=CC=C3C(=N2)N)[N+](=O)[O-]","HRTJHCCLKGWICX-UHFFFAOYSA-N",45028420,NA,"PDBC10171","742793","Present",NA,NA
+"10172","1-[(3-Oxohex-1-enyl)thio]hex-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Oxo-hex-1-enylsulfanyl)-hex-1-en-3-one",NA,"CCCC(=O)C=CSC=CC(=O)CCC","CDTBVBQRVUJCFF-FIFLTTCUSA-N",5473096,NA,"PDBC10172","723654","Present",NA,NA
+"10173","1-[(3As,6S)-6-methyl-2,3,3a,4-tetrahydrothieno[3,4-b]pyrrol-6-yl]-2-methylpropan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(3As,6s)-6-methyl-2,3,3a,4-tetrahydrothieno[3,4-b]pyrrol-6-yl]-2-methyl-propan-1-one",NA,"CC(C)C(=O)C1(C2=NCCC2CS1)C","WMJIQBYLSJFXNR-KCJUWKMLSA-N",396910,NA,"PDBC10173","704089","Present",NA,NA
+"10174","1-[(3E)-3,4-Dichloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidine, 1,1'-(3,4-dichloro-2,4-dinitro-1,3-butadiene...",NA,"C1CCN(CC1)C(=C(C(=C([N+](=O)[O-])Cl)Cl)[N+](=O)[O-])N2CCCCC2","VEKLVDNSIHENSL-QBFSEMIESA-N",3107921,NA,"PDBC10174","698394","Present",NA,NA
+"10175","1-[(3S)-2,3,8-Trimethyl-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(3s)-2,3,8-Trimethyl-1-oxa-8-azaspiro[4.5]decan-3-yl]ethanone",NA,"CC1C(CC2(O1)CCN(CC2)C)(C)C(=O)C","JOIPPKPXYFNWHT-PIJUOVFKSA-N",395101,NA,"PDBC10175","699392","Present",NA,NA
+"10176","1-[(3Z)-3-[(2-Iodophenyl)methylidene]-2-methoxy-2H-indol-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(3Z)-3-[(2-Iodophenyl)methylidene]-2-methoxy-2H-indol-1-yl]ethanone",NA,"CC(=O)N1C(C(=CC2=CC=CC=C2I)C3=CC=CC=C31)OC","KGZQQBDHAFJPST-PTNGSMBKSA-N",5387218,NA,"PDBC10176","621863","Present",NA,NA
+"10177","1-[(3Z)-4-Chloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(3Z)-4-Chloro-2,4-dinitro-1-piperidin-1-ylbuta-1,3-dienyl]piperidine",NA,"C1CCN(CC1)C(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])N2CCCCC2","MWUMIOZSZRFLPF-ACCUITESSA-N",1550318,NA,"PDBC10177","665093","Present",NA,NA
+"10178","1-[(3s,5r)-2-(2-Hydroxyethyl)-3-(2-methylprop-1-enyl)isoxazolidin-5-yl]-5-methyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(3S,5R)-2-(2-Hydroxyethyl)-3-(2-methylprop-1-enyl)-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(N(O2)CCO)C=C(C)C","PUQNTPXZYFLCFE-VXGBXAGGSA-N",393259,NA,"PDBC10178","694909","Present",NA,NA
+"10179","1-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonyl]-2,5-dihydropyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[(4,5-Dimethoxy-2-nitrobenzyl)oxy]carbonyl}-2,5-dihydro-1H-pyrrole-2-carboxylic acid",NA,"COC1=C(C=C(C(=C1)COC(=O)N2CC=CC2C(=O)O)[N+](=O)[O-])OC","YWAOMLOXXUULMD-UHFFFAOYSA-N",375629,NA,"PDBC10179","655451","Present",NA,NA
+"10180","1-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonyl]azetidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[(4,5-Dimethoxy-2-nitrobenzyl)oxy]carbonyl}azetidine-2-carboxylic acid",NA,"COC1=C(C=C(C(=C1)COC(=O)N2CCC2C(=O)O)[N+](=O)[O-])OC","MHBUVDBUGKJCOK-UHFFFAOYSA-N",375626,NA,"PDBC10180","655448","Present",NA,NA
+"10181","1-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonyl]piperidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[(4,5-Dimethoxy-2-nitrobenzyl)oxy]carbonyl}piperidine-2-carboxylic acid",NA,"COC1=C(C=C(C(=C1)COC(=O)N2CCCCC2C(=O)O)[N+](=O)[O-])OC","OUMMFGKKQUIMBO-UHFFFAOYSA-N",375623,NA,"PDBC10181","655445","Present",NA,NA
+"10182","1-[(4-Bromophenyl)azo]naphthalene-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL326990",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)Br)O","RIOZOASPCSFDHC-UHFFFAOYSA-N",250859,NA,"PDBC10182","70808","Present",NA,NA
+"10183","1-[(4-Bromophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Bromophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate",NA,"C1CC[P+](CC1)(CC2=CC=C(C=C2)Br)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","NMESMQYEJALXJY-UHFFFAOYSA-M",24202000,NA,"PDBC10183","617037","Present",NA,NA
+"10184","1-[(4-Chlorophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Chlorophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate",NA,"C1CC[P+](CC1)(CC2=CC=C(C=C2)Cl)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","JAMVRDJABTUURJ-UHFFFAOYSA-M",24202001,NA,"PDBC10184","617039","Present",NA,NA
+"10185","1-[(4-Chlorophenyl)methyl]-2,5-dimethyl-3-phenylpyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-chlorobenzyl)-2,5-dimethyl-3-phenyl-1H-pyrrole",NA,"CC1=CC(=C(N1CC2=CC=C(C=C2)Cl)C)C3=CC=CC=C3","GRAMJHBIOUFMDD-UHFFFAOYSA-N",155815953,NA,"PDBC10185","764901","Present",NA,NA
+"10186","1-[(4-Chlorophenyl)sulfonyl]-2-methyl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5477562",NA,"CC1=NC=CN1S(=O)(=O)C2=CC=C(C=C2)Cl","KLPLWWRXBYLZHN-UHFFFAOYSA-N",402990,NA,"PDBC10186","717463","Present",NA,NA
+"10187","1-[(4-Chlorophenyl)sulfonyl]-3-propylimidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Chlorophenyl)sulfonyl]-3-propylimidazolidine-2,4-dione",NA,"CCCN1C(=O)CN(C1=O)S(=O)(=O)C2=CC=C(C=C2)Cl","DBHQHKXAYOYAEM-UHFFFAOYSA-N",389564,NA,"PDBC10187","685870","Present",NA,NA
+"10188","1-[(4-Fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC=C(C=C5)F)C#N","OBLVGGZVBASFLN-UHFFFAOYSA-N",395404,NA,"PDBC10188","699940","Present",NA,NA
+"10189","1-[(4-Fluorophenyl)methyl]-2,3-dihydro-2-(methylamino)quinazolin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Fluorophenyl)methyl]-2,3-dihydro-2-(methylamino)quinazolin-4(1H)-one",NA,"CNC1NC(=O)C2=CC=CC=C2N1CC3=CC=C(C=C3)F","IBDIVVAMYPQHIJ-UHFFFAOYSA-N",72998,NA,"PDBC10189","364164","Present",NA,NA
+"10190","1-[(4-Fluorophenyl)methyl]-4-[N-sulfamoyl-3,5-bis(trifluoromethyl)anilino]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Fluorophenyl)methyl]-4-[N-sulfamoyl-3,5-bis(trifluoromethyl)anilino]piperidine",NA,"C1CN(CCC1N(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)N)CC3=CC=C(C=C3)F","MRWYFUXCJYHXHO-UHFFFAOYSA-N",54613152,NA,"PDBC10190","750773","Present",NA,NA
+"10191","1-[(4-Fluorophenylsulfonyl)-1-methyl-2-methylamimosulfonyl hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-fluorophenylsulfonyl)-1-methyl-2-methylamimosulfon...",NA,"CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=C(C=C1)F","TVMBFVFVXXTWSL-UHFFFAOYSA-N",371897,NA,"PDBC10191","646481","Present",NA,NA
+"10192","1-[(4-Methoxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-diol ate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methoxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-...",NA,"COC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]","VUWQXQXCPDFPCD-AQTBWJFISA-N",11646385,NA,"PDBC10192","731698","Present",NA,NA
+"10193","1-[(4-Methoxyphenyl)methyl]-1-phenylphosphinan-1-ium;1-[(4-nitrophenyl)methyl]-1-phenylphosphinan-1-ium;diperchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methoxyphenyl)methyl]-1-phenylphosphinan-1-ium;1-[(4-nitrophenyl)methyl]-1-phenylphosphinan-1-ium;diperchlorate",NA,"COC1=CC=C(C=C1)C[P+]2(CCCCC2)C3=CC=CC=C3.C1CC[P+](CC1)(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O","COGGZRFHAGFKOC-UHFFFAOYSA-L",54600813,NA,"PDBC10193","617040","Present",NA,NA
+"10194","1-[(4-Methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole",NA,"COC1=CC=C(C=C1)CC2C3=C(CCN2)C4=CC=CC=C4N3","JMTXCECACMNNRS-UHFFFAOYSA-N",359182,NA,"PDBC10194","619864","Present",NA,NA
+"10195","1-[(4-Methoxyphenyl)methyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methoxyphenyl)methyl]-2-methyl-3,4,5,6,7,8-hexahydro-1H-isoquinoline;hydrobromide",NA,"CN1CCC2=C(C1CC3=CC=C(C=C3)OC)CCCC2.Br","ONOQGUQAGAQCLQ-UHFFFAOYSA-N",356227,NA,"PDBC10195","611381","Present",NA,NA
+"10196","1-[(4-Methoxyphenyl)methyl]-2-methyl-isoquinolin-2-ium-6,7-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-1-(4-methoxybenzyl)-2-methylisoquinolin-6(2H)-one",NA,"CN1C=CC2=CC(=O)C(=CC2=C1CC3=CC=C(C=C3)OC)O","LCPHLHANZXJDQN-UHFFFAOYSA-N",371203,NA,"PDBC10196","645253","Present",NA,NA
+"10197","1-[(4-Methoxyphenyl)methyl]-3-[(4-phenyltriazol-1-yl)methyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methoxyphenyl)methyl]-3-[(4-phenyltriazol-1-yl)methyl]urea",NA,"COC1=CC=C(C=C1)CNC(=O)NCN2C=C(N=N2)C3=CC=CC=C3","WJBYCLZSYDGJQD-UHFFFAOYSA-N",386629,NA,"PDBC10197","679083","Present",NA,NA
+"10198","1-[(4-Methoxyphenyl)methyl]-5-nitro-2-(2-pyridylmethyl)indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methoxyphenyl)methyl]-5-nitro-2-(2-pyridylmethyl)indazol-3-one",NA,"COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=CC=N4","RBYLWWKLRVCUOX-UHFFFAOYSA-N",386344,NA,"PDBC10198","678127","Present",NA,NA
+"10199","1-[(4-Methoxyphenyl)methyl]-5-nitro-3-(2-pyridylmethoxy)indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methoxyphenyl)methyl]-5-nitro-3-(2-pyridylmethoxy)indazole",NA,"COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=N4","GVAJNWZEAFSSRT-UHFFFAOYSA-N",386339,NA,"PDBC10199","678122","Present",NA,NA
+"10200","1-[(4-Methoxyphenyl)methyl]spiro[4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c][1,3]oxazine-3,1'-cyclohexane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methoxyphenyl)methyl]spiro[4,4a,5,6,7,8-hexahydro-1H-pyrido[1,2-c][1,3]oxazine-3,1'-cyclohexane]",NA,"COC1=CC=C(C=C1)CC2N3CCCCC3CC4(O2)CCCCC4","FWJSXPCRIJBROV-UHFFFAOYSA-N",356126,NA,"PDBC10200","611218","Present",NA,NA
+"10201","1-[(4-Methoxyphenyl)thio]-1-(1-methylethenyl)cyclopropane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methoxyphenyl)thio]-1-(1-methylethenyl)cyclopropane",NA,"CC(=C)C1(CC1)SC2=CC=C(C=C2)OC","DOFSVJNXQPMMFC-UHFFFAOYSA-N",400116,NA,"PDBC10201","711606","Present",NA,NA
+"10202","1-[(4-Methylphenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methylphenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate",NA,"CC1=CC=C(C=C1)C[P+]2(CCCCC2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","CHOMHMUCGCTXJI-UHFFFAOYSA-M",24202004,NA,"PDBC10202","617043","Present",NA,NA
+"10203","1-[(4-Methylphenyl)sulfanylmethyl]piperidine; 4-nitrobenzoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-54689",NA,"CC1=CC=C(C=C1)SCN2CCCCC2.C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-]","FJHZCTHZJUERHJ-UHFFFAOYSA-N",245762,NA,"PDBC10203","57998","Present",NA,NA
+"10204","1-[(4-Methylphenyl)sulfonyl]-2-piperidineethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methylphenyl)sulfonyl]-2-piperidineethanol",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCO","PSFIACOPJOGEJX-UHFFFAOYSA-N",358286,NA,"PDBC10204","618228","Present",NA,NA
+"10205","1-[(4-Methylphenyl)sulfonylamino]-3-(4-nitrophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methylphenyl)sulfonylamino]-3-(4-nitrophenyl)urea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]","GCAZMHZSAPISKY-UHFFFAOYSA-N",3704318,NA,"PDBC10205","674494","Present",NA,NA
+"10206","1-[(4-Methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methylphenyl)sulfonylamino]-3-[3-(trifluoromethyl)phenyl]urea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=CC(=C2)C(F)(F)F","HASDMVCKRVYYBB-UHFFFAOYSA-N",381839,NA,"PDBC10206","668912","Present",NA,NA
+"10207","1-[(4-Methylphenyl)sulfonylamino]-3-naphthalen-1-ylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Methylphenyl)sulfonylamino]-3-naphthalen-1-ylthiourea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=S)NC2=CC=CC3=CC=CC=C32","WCUOSCDSCTYESZ-UHFFFAOYSA-N",3755655,NA,"PDBC10207","668911","Present",NA,NA
+"10208","1-[(4-Nitrophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Nitrophenyl)methyl]-1-phenylphosphinan-1-ium;perchlorate",NA,"C1CC[P+](CC1)(CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","ZQMXFLRITXQUDJ-UHFFFAOYSA-M",24202002,NA,"PDBC10208","617041","Present",NA,NA
+"10209","1-[(4-Nitrophenyl)methyl]oxazolo[5,4-b]pyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrobenzyl)[1,3]oxazolo[5,4-b]pyridin-2(1H)-one",NA,"C1=CC2=C(N=C1)OC(=O)N2CC3=CC=C(C=C3)[N+](=O)[O-]","GFLYRMAPWVALID-UHFFFAOYSA-N",380516,NA,"PDBC10209","666130","Present",NA,NA
+"10210","1-[(4-Pyridin-2-ylpiperazin-1-yl)acetyl]-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Pyridin-2-ylpiperazin-1-yl)acetyl]-1,2,3,4-tetrahydro-6H-pyrimido[2,1-b]quinazolin-6-one",NA,"C1CN2C(=O)C3=CC=CC=C3N=C2N(C1)C(=O)CN4CCN(CC4)C5=CC=CC=N5","FSARVCXQIQFJBV-UHFFFAOYSA-N",381983,NA,"PDBC10210","669303","Present",NA,NA
+"10211","1-[(4-aminophenyl)-(4-hydroxyphenyl)methylidene]-[3]ferr...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-aminophenyl)-(4-hydroxyphenyl)methylidene]-[3]ferr...",NA,NA,NA,NA,NA,"PDBC10211","756998","Present",NA,NA
+"10212","1-[(4-n-Propylcarbonyl)piperazine-1-yl]diazen-1-ium-1,2-diol ate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-n-Propylcarbonyl)piperazine-1-yl]diazen-1-ium-1,2-...",NA,"CCCOC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]","DDMQMEHUBDWPBT-HKWRFOASSA-N",11502167,NA,"PDBC10212","731699","Present",NA,NA
+"10213","1-[(4Ar,5R,11cS)-5-chloro-7-(4-methoxyphenyl)sulfonyl-3,4,4a,5,6,11c-hexahydro-2H-pyrido[3,2-c]carbazol-1-yl]-2-(p-tolylsulfinyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4Ar,5R,11cS)-5-chloro-7-(4-methoxyphenyl)sulfonyl-3,4,4a,5,6,11c-hexahydro-2H-pyrido[3,2-c]carbazol-1-yl]-2-(4-methylphenyl)sulfinylethanone",NA,"CC1=CC=C(C=C1)S(=O)CC(=O)N2CCCC3C2C4=C(CC3Cl)N(C5=CC=CC=C54)S(=O)(=O)C6=CC=C(C=C6)OC","FUFMXEHZPUASGK-APLHKVLPSA-N",386810,NA,"PDBC10213","679518","Present",NA,NA
+"10214","1-[(4As,6R,7S,8S,8aS)-8-hydroxy-3-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4As,6R,7S,8S,8aS)-8-hydroxy-3-methyl-7-phenylmethoxy-6-(phenylmethoxymethyl)-6,7,8,8a-tetrahydro-4aH-pyrano[2,3-b][1,4]oxathiin-2-yl]ethanone",NA,"CC1=C(SC2C(C(C(OC2O1)COCC3=CC=CC=C3)OCC4=CC=CC=C4)O)C(=O)C","WUYSQXJGOOIPRC-SBSLQGDRSA-N",398461,NA,"PDBC10214","708237","Present",NA,NA
+"10215","1-[(4R)-4-(6-Bromo-2H-1,3-benzodioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]ethan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(6-bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro...",NA,"CC(=O)C1=CC2=C(C=C1)NC(C3C2C=CC3)C4=CC5=C(C=C4Br)OCO5","VHSVKVWHYFBIFJ-OCJVHDGVSA-N",45028686,NA,"PDBC10215","743735","Present",NA,NA
+"10216","1-[(4R,6S)-14-Hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4R,6S)-14-Hydroxy-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-15-en-6-yl]ethanone",NA,"CC(=O)C12C(O1)CC3C2(CCC4C3CCC5=CC(CCC45C)O)C","DDRAGVMBTDXIII-QJYPHQRNSA-N",24204235,NA,"PDBC10216","731022","Present",NA,NA
+"10217","1-[(5-Bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(4-nitrophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(5-Bromo-2-hydroxy-1H-indol-3-yl)imino]-3-(4-nitrophenyl)thiourea",NA,"C1=CC(=CC=C1NC(=S)N=NC2=C(NC3=C2C=C(C=C3)Br)O)[N+](=O)[O-]","SEPIAHLFVAJTPK-UHFFFAOYSA-N",135426766,NA,"PDBC10217","716772","Present",NA,NA
+"10218","1-[(5-Hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-5-methylpyrimidine-2,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(5-Hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)methyl]-5-methyl-pyrimidine-2,4-dione hydrochloride",NA,"CC1=CN(C(=O)NC1=O)CC2=NCC(CN2)O.Cl","WBPHSAZRFCLJKW-UHFFFAOYSA-N",396427,NA,"PDBC10218","702404","Present",NA,NA
+"10219","1-[(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)amino]-3-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)amino]-3-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"C=CCN1C(=O)CC(=O)N(C1=S)NC2=NNC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2","VRPGDYMAUQOCQC-UHFFFAOYSA-N",135409207,NA,"PDBC10219","666173","Present",NA,NA
+"10220","1-[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-hydroxyurea;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-hydroxyurea;hydrochloride",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)NO.Cl","PGPHUHZATVJRGC-IRIMGNFJSA-N",382833,NA,"PDBC10220","670663","Present",NA,NA
+"10221","1-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylene)-4H-thiazol-2-yl]-2-[4-(3-nitrophenyl)thiazol-2-yl]hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]-2-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]hydrazine",NA,"C1C(=CC2=CC3=C(C=C2)OCO3)SC(=N1)NNC4=NC(=CS4)C5=CC(=CC=C5)[N+](=O)[O-]","YBYARWBVEFMVNB-UUASQNMZSA-N",6477390,NA,"PDBC10221","657594","Present",NA,NA
+"10222","1-[(6-Methoxynaphthalen-2-yl)methyl]-3-(naphthalen-2-ylmethyl)imidazol-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((6-methoxynaphthalen-2-yl)methyl)-3-(naphthalen-2-ylm...",NA,"COC1=CC2=C(C=C1)C=C(C=C2)CN3C=C[N+](=C3)CC4=CC5=CC=CC=C5C=C4","BAWOEXIUXCIASW-UHFFFAOYSA-N",155816406,NA,"PDBC10222","788914","Present",NA,NA
+"10223","1-[(7-Chloroquinolin-4-yl)amino]-3-(cyclohexylamino)propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(7-Chloroquinolin-4-yl)amino]-3-(cyclohexylamino)prop...",NA,"C1CCC(CC1)NCC(CNC2=C3C=CC(=CC3=NC=C2)Cl)O","JEWOVFPNPJKWHN-UHFFFAOYSA-N",273914,NA,"PDBC10223","119608","Present",NA,NA
+"10224","1-[(7-Methyl-4-oxo-1H-1,8-naphthyridine-3-carbonyl)amino]-3-propylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(7-Methyl-4-oxo-1H-1,8-naphthyridine-3-carbonyl)amino]-3-propylurea",NA,"CCCNC(=O)NNC(=O)C1=CNC2=C(C1=O)C=CC(=N2)C","QKXSVBLGVPRBKV-UHFFFAOYSA-N",5470954,NA,"PDBC10224","706813","Present",NA,NA
+"10225","1-[(7Ar)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(7Ar)-9-methoxy-3-methyl-7-oxo-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl]-4-phenyl-1,2,4-triazolidine-3,5-dione",NA,"CN1CCC23C4C(=O)C=CC2(C1CC5=C3C(=C(C=C5)OC)O4)N6C(=O)N(C(=O)N6)C7=CC=CC=C7","RDZVHWCUCKGHHO-DXQPFGFXSA-N",398112,NA,"PDBC10225","707478","Present",NA,NA
+"10226","1-[(7E)-3-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(7E)-3-(3,4-Dimethoxyphenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone",NA,"CC1CC2C(N(N=C2C(=CC3=CC(=C(C=C3)OC)OC)C1)C(=O)C)C4=CC(=C(C=C4)OC)OC","IYAWTKUKPKSZKS-DEDYPNTBSA-N",24205852,NA,"PDBC10226","737018","Present",NA,NA
+"10227","1-[(7E)-3-(4-Methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(7E)-3-(4-Methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-5-methyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone",NA,"CC1CC2C(N(N=C2C(=CC3=CC=C(C=C3)OC)C1)C(=O)C)C4=CC=C(C=C4)OC","QWGMHAXSMBUANT-HMMYKYKNSA-N",24205851,NA,"PDBC10227","737016","Present",NA,NA
+"10228","1-[(7E)-4-Methyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(7E)-4-Methyl-3-(3,4,5-trimethoxyphenyl)-7-[(3,4,5-trimethoxyphenyl)methylidene]-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone",NA,"CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=NN(C(C13)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C","ZPAZFINDELEEPK-YBFXNURJSA-N",5778618,NA,"PDBC10228","690751","Present",NA,NA
+"10229","1-[(7E)-7-Benzylidene-5-methyl-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(7E)-7-Benzylidene-5-methyl-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone",NA,"CC1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)C)C4=CC=CC=C4","ROMBQXOFAFYLMB-HMMYKYKNSA-N",24205850,NA,"PDBC10229","737015","Present",NA,NA
+"10230","1-[(9E)-7-(4,4-Dimethylcyclohexyl)sulfonyl-9-hydroxyiminofluoren-2-yl]sulfonyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E/Z)-2-((4,4-dimethylcyclohexyl)sulfonyl)-7-((4-hydroxy...",NA,"CC1(CCC(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)N5CCC(CC5)(C6=CC(=CC=C6)C(F)(F)F)O)C","SPQNVRNQSIYXEO-GGFUHWEBSA-N",155805703,NA,"PDBC10230","789646","Present",NA,NA
+"10231","1-[(9R,10R)-10-(4,4-Dimethyl-5H-1,3-oxazol-2-yl)-10-prop-2-enyl-9H-phenanthren-9-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(9r,10r)-10-Allyl-10-(4,4-dimethyl-5h-oxazol-2-yl)-9h-phenanthren-9-yl]ethanone",NA,"CC(=O)C1C2=CC=CC=C2C3=CC=CC=C3C1(CC=C)C4=NC(CO4)(C)C","UAQKEOCMFQELOM-QPPBQGQZSA-N",399176,NA,"PDBC10231","709746","Present",NA,NA
+"10232","1-[(Acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)OC)C2=CC=CC=C2","PFAPDFVWLGLMIL-UHFFFAOYSA-N",389180,NA,"PDBC10232","684864","Present",NA,NA
+"10233","1-[(Dimethylamino)methyl]-2-hydroxy-5-(4-methoxyphenyl)benzo[b]carbazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Dimethylamino)methyl]-2-hydroxy-5-(4-methoxyphenyl)-5h-benzo[b]carbazole-6,11-dione",NA,"CN(C)CC1=C(C=CC2=C1C3=C(N2C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5C3=O)O","ZZYHQOMQXQFRSH-UHFFFAOYSA-N",404491,NA,"PDBC10233","720727","Present",NA,NA
+"10234","1-[(Dimethylamino)methyl]-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Dimethylamino)methyl]-2-hydroxy-5-methyl-5h-benzo[b]carbazole-6,11-dione",NA,"CN1C2=C(C(=C(C=C2)O)CN(C)C)C3=C1C(=O)C4=CC=CC=C4C3=O","DSFNYWHDFYBZEX-UHFFFAOYSA-N",405604,NA,"PDBC10234","722974","Present",NA,NA
+"10235","1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(2-methoxyphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(2-methoxyphenyl)thiourea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=CC=C3OC","PIHNRVJHSZRWFN-FYJGNVAPSA-N",9571653,NA,"PDBC10235","695334","Present",NA,NA
+"10236","1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-methoxyphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-methoxyphenyl)thiourea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)OC","FBGVQYDSCMCYQC-FYJGNVAPSA-N",9571651,NA,"PDBC10236","695332","Present",NA,NA
+"10237","1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-nitrophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)methyleneamino]-3-(4-nitrophenyl)thiourea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]","GGBNDBSELJVPFT-UDWIEESQSA-N",9571650,NA,"PDBC10237","695331","Present",NA,NA
+"10238","1-[(E)-(2,4-Dimethoxy-3-methyl-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2,4-Dimethoxy-3-methylphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C=CC(=C1OC)C=NN=C(N)NO)OC","HZBUELSLRDPRAD-AWFSDRIXSA-N",9574176,NA,"PDBC10238","646108","Present",NA,NA
+"10239","1-[(E)-(2,4-Dimethoxyphenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(2,4-Dimethoxyphenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C=C1)C=NN=C(N)NO)OC","XGSPZNWGHVMVEE-WXIWBVQFSA-N",9574174,NA,"PDBC10239","646107","Present",NA,NA
+"10240","1-[(E)-(2,4-Dioxochroman-3-ylidene)methyl]-3-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(2,4-Dioxochroman-3-ylidene)methyl]-3-phenyl-urea",NA,"C1=CC=C(C=C1)NC(=O)N=CC2=C(C3=CC=CC=C3OC2=O)O","UKPVNCGATHBEEC-VCHYOVAHSA-N",135409041,NA,"PDBC10240","655966","Present",NA,NA
+"10241","1-[(E)-(2-Bromo-4,5-dimethoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Bromo-4,5-dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C(=C1)C=NN=C(N)NO)Br)OC","YJXCQHUVUSAOOJ-CMZQJCRFSA-N",9574162,NA,"PDBC10241","646101","Present",NA,NA
+"10242","1-[(E)-(2-Chloro-1-phenyl-indol-3-yl)methyleneamino]imidazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(2-Chloro-1-phenyl-indol-3-yl)methyleneamino]imidazolidin-2-one",NA,"C1CN(C(=O)N1)N=CC2=C(N(C3=CC=CC=C32)C4=CC=CC=C4)Cl","QQPVSOPLFJRVKJ-CIAFOILYSA-N",9571561,NA,"PDBC10242","682886","Present",NA,NA
+"10243","1-[(E)-(2-Chloro-3-hydroxy-4-methoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Chloro-3-hydroxy-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)C=NN=C(N)NO)Cl)O","KGBUQFVHVSEMGP-AQCBZIOHSA-N",9574172,NA,"PDBC10243","646106","Present",NA,NA
+"10244","1-[(E)-(2-Chloro-4-hydroxy-5-methoxy-phenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C(=C1)C=NN=C(N)NO)Cl)O","ODIDSMOFECOYSU-AQCBZIOHSA-N",135499237,NA,"PDBC10244","646105","Present",NA,NA
+"10245","1-[(E)-(2-Ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(2-Ethoxyphenyl)methylideneamino]-2-[(Z)-(2-ethoxyphenyl)methylideneamino]guanidine",NA,"CCOC1=CC=CC=C1C=NNC(=NN=CC2=CC=CC=C2OCC)N","DWYBOGPOZRQOEY-VOKWCDJLSA-N",54606037,NA,"PDBC10245","68155","Present",NA,NA
+"10246","1-[(E)-(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea;nickel;2-pyridin-2-ylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(2-Hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea;nickel;2-pyridin-2-ylpyridine",NA,NA,NA,NA,NA,"PDBC10246","638305","Present",NA,NA
+"10247","1-[(E)-(2-Hydroxyphenyl)methylideneamino]-3-(4-sulfamoylphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(2-Hydroxyphenyl)methylideneamino]-3-(4-sulfamoylphenyl)urea",NA,"C1=CC=C(C(=C1)C=NNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)O","QVBXXFWCMIMOJK-CXUHLZMHSA-N",135436228,NA,"PDBC10247","715175","Present",NA,NA
+"10248","1-[(E)-(2-Nitrophenyl)methylideneamino]-3-(4-sulfamoylphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(2-Nitrophenyl)methylideneamino]-3-(4-sulfamoylphenyl)urea",NA,"C1=CC=C(C(=C1)C=NNC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)[N+](=O)[O-]","XWNMBUMSVPALEI-CXUHLZMHSA-N",9572403,NA,"PDBC10248","715176","Present",NA,NA
+"10249","1-[(E)-(3,4-Dihydroxyphenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(3,4-Dihydroxyphenyl)methyleneamino]-3-hydroxy-guanidine; 4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=C(C=C1C=NN=C(N)NO)O)O","KRVXPFUSWKFAMH-FCVRUTMISA-N",135499233,NA,"PDBC10249","646102","Present",NA,NA
+"10250","1-[(E)-(4-Chlorophenyl)methylideneamino]-7-methyl-N-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(4-Chlorophenyl)methylideneamino]-7-methyl-N-(4-methylphenyl)-5-oxo-2,3-dihydroimidazo[1,2-c]pyrimidine-8-carboxamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=C3N(CCN3N=CC4=CC=C(C=C4)Cl)C(=O)N=C2C","HJFCCGKJACNJTL-ZMOGYAJESA-N",9571770,NA,"PDBC10250","648202","Present",NA,NA
+"10251","1-[(E)-(5-Oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(5-Oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]pyrrolidine-2-carboxylic acid",NA,"C1CC(N(C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)C(=O)O","LBZVFNAADRUKSN-PKNBQFBNSA-N",5467308,NA,"PDBC10251","650033","Present",NA,NA
+"10252","1-[(E)-(6-Chloroimidazo[2,1-b]thiazol-5-yl)methyleneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(6-Chloroimidazo[2,1-b]thiazol-5-yl)methyleneamino]guanidine",NA,"C1=CSC2=NC(=C(N21)C=NN=C(N)N)Cl.Cl","OYXDGDUSQGWWEU-KODGKZAJSA-N",9571910,NA,"PDBC10252","670875","Present",NA,NA
+"10253","1-[(E)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-phenylurea",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C=NNC(=O)NC3=CC=CC=C3","IMTVAKNFSMUIEQ-DEDYPNTBSA-N",9556180,NA,"PDBC10253","671927","Present",NA,NA
+"10254","1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-(2-pyridylmethyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-(2-pyridylmethyl)thiourea",NA,"CC1=NC(=CC=C1)C=NNC(=S)NCC2=CC=CC=N2","CHESFSICKVAAIE-LICLKQGHSA-N",9571918,NA,"PDBC10254","670966","Present",NA,NA
+"10255","1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-[2-(2-pyridyl)ethyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-[2-(2-pyridyl)ethyl]thiourea",NA,"CC1=NC(=CC=C1)C=NNC(=S)NCCC2=CC=CC=N2","FKJDNGUHRIOLQT-WOJGMQOQSA-N",9571919,NA,"PDBC10255","670967","Present",NA,NA
+"10256","1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-phenyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-phenyl-thiourea",NA,"CC1=NC(=CC=C1)C=NNC(=S)NC2=CC=CC=C2","NNYFHMVRHSJYIQ-XNTDXEJSSA-N",9554751,NA,"PDBC10256","667884","Present",NA,NA
+"10257","1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-propyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-3-propyl-thiourea",NA,"CCCNC(=S)NN=CC1=CC=CC(=N1)C","MHUYOCMNHSGPCA-MDWZMJQESA-N",9571906,NA,"PDBC10257","670781","Present",NA,NA
+"10258","1-[(E)-1,3-Benzodioxol-5-ylmethylideneamino]-3-(2-chlorophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-1,3-Benzodioxol-5-ylmethylideneamino]-3-(2-chlorophenyl)urea",NA,"C1OC2=C(O1)C=C(C=C2)C=NNC(=O)NC3=CC=CC=C3Cl","NQEHPFRGTXEVFX-CAOOACKPSA-N",9572409,NA,"PDBC10258","715192","Present",NA,NA
+"10259","1-[(E)-1-(2-Hydroxy-4,5-dimethoxy-phenyl)ethylideneamino]-3-methyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-1-(2-Hydroxy-4,5-dimethoxy-phenyl)ethylideneamino]-3-methyl-thiourea",NA,"CC(=NNC(=S)NC)C1=CC(=C(C=C1O)OC)OC","ZUUVJALLOGMBMS-VGOFMYFVSA-N",135493997,NA,"PDBC10259","689548","Present",NA,NA
+"10260","1-[(E)-1-(2-Hydroxy-4-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-1-(2-Hydroxy-4-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea",NA,"CC(=NNC(=S)NC)C1=C(C=C(C=C1)OC)O","FPZBHJNCBMQKKI-NTUHNPAUSA-N",135493995,NA,"PDBC10260","689546","Present",NA,NA
+"10261","1-[(E)-1-(2-Hydroxy-5-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-1-(2-Hydroxy-5-methoxy-phenyl)ethylideneamino]-3-methyl-thiourea",NA,"CC(=NNC(=S)NC)C1=C(C=CC(=C1)OC)O","XAPVLTLBQUZWEU-NTUHNPAUSA-N",135493993,NA,"PDBC10261","689544","Present",NA,NA
+"10262","1-[(E)-1-(2-Pyridyl)ethylideneamino]-3-[2-[[(E)-1-(2-pyridyl)ethylideneamino]carbamothioylamino]ethyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-1-Pyridin-2-ylethylideneamino]-3-[2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]ethyl]thiourea",NA,"CC(=NNC(=S)NCCNC(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2","OCOPLUDKYCFUIL-RNIAWFEPSA-N",9554737,NA,"PDBC10262","667877","Present",NA,NA
+"10263","1-[(E)-1H-Indol-3-ylmethylideneamino]-2-phenylguanidine;nitric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarboximidamide, 2-[(1H-indol-3-yl)methylene]- ...",NA,"C1=CC=C(C=C1)N=C(N)NN=CC2=CNC3=CC=CC=C32.[N+](=O)(O)[O-]","UXEDIXOEIRVKCV-YLFUTEQJSA-N",135439995,NA,"PDBC10263","644582","Present",NA,NA
+"10264","1-[(E)-2-(1-Methylquinolin-1-ium-2-yl)ethenyl]naphthalen-2-ol;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-2-(1-Methylquinolin-1-ium-2-yl)ethenyl]naphthalen-2-ol;iodide",NA,"C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=C(C=CC4=CC=CC=C43)O.[I-]","MTHILUOUELJKSY-UHFFFAOYSA-N",54601852,NA,"PDBC10264","152210","Present",NA,NA
+"10265","1-[(E)-2-(1-Phenyltetrazol-5-yl)vinyl]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-2-(1-Phenyltetrazol-5-yl)vinyl]piperidine",NA,"C1CCN(CC1)C=CC2=NN=NN2C3=CC=CC=C3","XBOVYKXOQWFXTR-FMIVXFBMSA-N",5468653,NA,"PDBC10265","673515","Present",NA,NA
+"10266","1-[(E)-2-(2-Furyl)vinyl]-3-(p-tolyl)pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-2-(2-Furyl)vinyl]-3-(p-tolyl)pyrazino[1,2-a]benzimidazole",NA,"CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C=CC5=CC=CO5","HPKMPHSMTRQXDQ-OUKQBFOZSA-N",5471216,NA,"PDBC10266","709478","Present",NA,NA
+"10267","1-[(E)-2-(3,4-Dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-2-(3,4-Dichlorophenyl)ethenyl]-3-phenylpyrazino[1,2-a]benzimidazole",NA,"C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C=CC5=CC(=C(C=C5)Cl)Cl","WPFRNRABZXQVMG-ACCUITESSA-N",5471210,NA,"PDBC10267","709472","Present",NA,NA
+"10268","1-[(E)-2-Diethoxyphosphorylvinyl]-5-methyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-2-Diethoxyphosphorylvinyl]-5-methyl-pyrimidine-2,4-dione",NA,"CCOP(=O)(C=CN1C=C(C(=O)NC1=O)C)OCC","UXLGYEMCEQNJGM-VOTSOKGWSA-N",5470771,NA,"PDBC10268","704891","Present",NA,NA
+"10269","1-[(E)-2-Diethoxyphosphorylvinyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-2-Diethoxyphosphorylvinyl]pyrimidine-2,4-dione",NA,"CCOP(=O)(C=CN1C=CC(=O)NC1=O)OCC","RRXIPCLAHYKRSU-BQYQJAHWSA-N",5470769,NA,"PDBC10269","704889","Present",NA,NA
+"10270","1-[(E)-2-[4-[(E)-2-(2,4-Dinitrophenyl)vinyl]phenyl]vinyl]-2,4-dinitro-benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-[4,1-Phenylenebis(1,2-ethenediyl)]bis(2,4-dinitrobenzene)",NA,"C1=CC(=CC=C1C=CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","CDSARYSJQNNQEW-KQQUZDAGSA-N",5387794,NA,"PDBC10270","627411","Present",NA,NA
+"10271","1-[(E)-3,4,5-Trihydroxypent-1-enyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-3,4,5-Trihydroxypent-1-enyl]pyrimidine-2,4-dione",NA,"C1=CN(C(=O)NC1=O)C=CC(C(CO)O)O","BLUCVFFICDEGFV-HNQUOIGGSA-N",5466793,NA,"PDBC10271","642711","Present",NA,NA
+"10272","1-[(E)-3,4-Dimethoxystyryl]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.572.469I",NA,"COC1=C(C=C(C=C1)C=CC2=NC=CC3=CC=CC=C32)OC","YIPPOXZOZWCKNX-VQHVLOKHSA-N",5939833,NA,"PDBC10272","176654","Present",NA,NA
+"10273","1-[(E)-3-(2,4-Dichlorophenyl)-3-oxoprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(E)-3-(2,4-dichlorophenyl)-3-oxoprop-1-en-1-yl)-9,10-d...",NA,"C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=CC(=O)C6=C(C=C(C=C6)Cl)Cl)C(=O)NC4=O","QRFFXDFDFJRMOC-VAWYXSNFSA-N",155806401,NA,"PDBC10273","803360","Present",NA,NA
+"10274","1-[(E)-3-(4-Ethylphenyl)-3-oxoprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(E)-3-(4-ethylphenyl)-3-oxoprop-1-en-1-yl)-9,10-dihydr...",NA,"CCC1=CC=C(C=C1)C(=O)C=CC23C4C(C(C5=CC=CC=C52)C6=CC=CC=C36)C(=O)NC4=O","GMFCWRQRTCJBIZ-FOCLMDBBSA-N",155815757,NA,"PDBC10274","803357","Present",NA,NA
+"10275","1-[(E)-3-(4-Fluorophenyl)-3-oxoprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(E)-3-(4-fluorophenyl)-3-oxoprop-1-en-1-yl)-9,10-dihyd...",NA,"C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=CC(=O)C6=CC=C(C=C6)F)C(=O)NC4=O","HJVQKUVOSBNWJB-BUHFOSPRSA-N",155809548,NA,"PDBC10275","803358","Present",NA,NA
+"10276","1-[(E)-3-(Furan-2-yl)-3-oxoprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(E)-3-(furan-2-yl)-3-oxoprop-1-en-1-yl)-9,10-dihydro-9...",NA,"C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=CC(=O)C6=CC=CO6)C(=O)NC4=O","ACRQIUDFTUKMDP-VAWYXSNFSA-N",155814260,NA,"PDBC10276","803361","Present",NA,NA
+"10277","1-[(E)-3-Bromoallyl]-3-(1,2,3,4-tetrahydroquinolin-4-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-3-Bromoallyl]-3-(1,2,3,4-tetrahydroquinolin-4-yl)urea",NA,"C1CNC2=CC=CC=C2C1NC(=O)NCC=CBr","DMWCISDXUFPTJO-XVNBXDOJSA-N",6294911,NA,"PDBC10277","664966","Present",NA,NA
+"10278","1-[(E)-3-Oxo-3-pyridin-2-ylprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(E)-3-oxo-3-(pyridin-2-yl)prop-1-en-1-yl)-9,10-dihydro...",NA,"C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=CC(=O)C6=CC=CC=N6)C(=O)NC4=O","KZKBGXMAGAVNSI-OUKQBFOZSA-N",155809550,NA,"PDBC10278","803355","Present",NA,NA
+"10279","1-[(E)-3-Oxo-3-pyridin-4-ylprop-1-enyl]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(E)-3-oxo-3-(pyridin-4-yl)prop-1-en-1-yl)-9,10-dihydro...",NA,"C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=CC(=O)C6=CC=NC=C6)C(=O)NC4=O","RMZRTHRMFYNNDV-FMIVXFBMSA-N",155815758,NA,"PDBC10279","803363","Present",NA,NA
+"10280","1-[(E)-3-Phenylprop-2-enoxy]piperidine-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-3-Phenylprop-2-enoxy]piperidine-3,4,5-triol",NA,"C1C(C(C(CN1OCC=CC2=CC=CC=C2)O)O)O","PTMZDVVIWWFPQK-QPJJXVBHSA-N",5467384,NA,"PDBC10280","651812","Present",NA,NA
+"10281","1-[(E)-3-Trimethylsilylprop-2-enyl]pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-3-Trimethylsilylprop-2-enyl]pyrrolidine-2,5-dione",NA,"C[Si](C)(C)C=CCN1C(=O)CCC1=O","APEUQBNZTRXREU-XBXARRHUSA-N",5386738,NA,"PDBC10281","617379","Present",NA,NA
+"10282","1-[(E)-Benzylideneamino]-3-(2-phenylchroman-4-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-Benzylideneamino]-3-(2-phenylchroman-4-yl)thiourea",NA,"C1C(C2=CC=CC=C2OC1C3=CC=CC=C3)NC(=S)NN=CC4=CC=CC=C4","SUZFIXDOJRIJQR-LFVJCYFKSA-N",9569902,NA,"PDBC10282","623626","Present",NA,NA
+"10283","1-[(E)-Furan-2-ylmethylideneamino]-3-(2-methoxy-5-methylphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-Furan-2-ylmethylideneamino]-3-(2-methoxy-5-methylphenyl)thiourea",NA,"CC1=CC(=C(C=C1)OC)NC(=S)NN=CC2=CC=CO2","PIBRNLZLSMHZDL-OQLLNIDSSA-N",9572441,NA,"PDBC10283","716182","Present",NA,NA
+"10284","1-[(E)-[2-Chloro-6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-[2-Chloro-6-(4-chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine",NA,"C1=CC(=CC=C1C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N)Cl.Cl","CVBNMKAMTNOTLK-RZFZGDDESA-N",9572070,NA,"PDBC10284","698274","Present",NA,NA
+"10285","1-[(E)-[3-(3,6-Dioxo-1H-pyridazin-2-yl)-1-methyl-propylidene]amino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-[3-(3,6-Dioxo-1H-pyridazin-2-yl)-1-methyl-propylidene]amino]guanidine",NA,"CC(=NN=C(N)N)CCN1C(=O)C=CC(=O)N1","MZKAJJOOGPKICS-WUXMJOGZSA-N",9570025,NA,"PDBC10285","633914","Present",NA,NA
+"10286","1-[(E)-[4-(Aziridin-1-yl)-4-methylpentan-2-ylidene]amino]-3-naphthalen-1-ylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-[4-(Aziridin-1-yl)-4-methylpentan-2-ylidene]amino]-3-naphthalen-1-ylurea",NA,"CC(=NNC(=O)NC1=CC=CC2=CC=CC=C21)CC(C)(C)N3CC3","DSMKQBURCDVYOU-KGENOOAVSA-N",9568374,NA,"PDBC10286","101248","Present",NA,NA
+"10287","1-[(E)-[6-(4-Chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-[6-(4-Chlorophenyl)imidazo[2,1-b]thiazol-5-yl]methyleneamino]guanidine",NA,"C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)Cl.Cl","RRBLPFFNLBRCCZ-VYYXIRCESA-N",9571912,NA,"PDBC10287","670876","Present",NA,NA
+"10288","1-[(E)-styryl]-9H-beta-carboline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-styryl]-9H-beta-carboline",NA,"C1=CC=C(C=C1)C=CC2=NC=CC3=C2NC4=CC=CC=C34","WUOUVVQREBRKTE-ZHACJKMWSA-N",5382687,NA,"PDBC10288","149849","Present",NA,NA
+"10289","1-[(N-Acetylanilino)methyl]-5-oxopyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(N-Acetylanilino)methyl]-5-oxopyrrolidine-2-carboxylic acid",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC=CC=C2","MRXQPMGMSNXFDV-UHFFFAOYSA-N",389172,NA,"PDBC10289","684856","Present",NA,NA
+"10290","1-[(Trimethylsilyl)methyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Trimethylsilyl)methyl]-4,5-bis(4-methoxyphenyl)-1H-imidazole",NA,"COC1=CC=C(C=C1)C2=C(N(C=N2)C[Si](C)(C)C)C3=CC=C(C=C3)OC","UTVVFZUUMJWAHR-UHFFFAOYSA-N",400616,NA,"PDBC10290","712738","Present",NA,NA
+"10291","1-[(Z)-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3-[2-[[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]carbamothioylamino]ethyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-3-[2-[[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]carbamothioylamino]ethyl]thiourea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NCCNC(=S)NN=CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C","TWOGXMWHEAYFQS-KUUUIRGPSA-N",6142547,NA,"PDBC10291","701206","Present",NA,NA
+"10292","1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea",NA,"C1=CC=C2C(=C1)C(=C(C(=O)N2)C=NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)O","AWCWWUMOUJHBDD-DJKKODMXSA-N",135409072,NA,"PDBC10292","657582","Present",NA,NA
+"10293","1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-octadecyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-octadecyl-thiourea",NA,"CCCCCCCCCCCCCCCCCCNC(=S)N=CC1=C(C2=CC=CC=C2NC1=O)O","DYRFZZYFMPWWJR-UQRQXUALSA-N",135409089,NA,"PDBC10293","657701","Present",NA,NA
+"10294","1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-phenethyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-phenethyl-thiourea",NA,"C1=CC=C(C=C1)CCNC(=S)N=CC2=C(C3=CC=CC=C3NC2=O)O","DZEUORIVZQLDFD-CIAFOILYSA-N",135409094,NA,"PDBC10294","657711","Present",NA,NA
+"10295","1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-propyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2,4-Dioxo-1H-quinolin-3-ylidene)methyl]-3-propyl-thiourea",NA,"CCCNC(=S)N=CC1=C(C2=CC=CC=C2NC1=O)O","ZAYPNYHROMOTQA-LZYBPNLTSA-N",135409080,NA,"PDBC10295","657596","Present",NA,NA
+"10296","1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N)O","LCHIJPFYWULQMD-DJKKODMXSA-N",135409083,NA,"PDBC10296","657604","Present",NA,NA
+"10297","1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-octyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-octyl-thiourea",NA,"CCCCCCCCNC(=S)N=CC1=C(C2=CC=CC=C2OC1=O)O","PSDGCDZXUQSNQJ-FYJGNVAPSA-N",135409064,NA,"PDBC10297","657461","Present",NA,NA
+"10298","1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-phenethyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2,4-Dioxochroman-3-ylidene)methyl]-3-phenethyl-thiourea",NA,"C1=CC=C(C=C1)CCNC(=S)N=CC2=C(C3=CC=CC=C3OC2=O)O","WWUVGSSZLRFGQL-CIAFOILYSA-N",135409098,NA,"PDBC10298","657716","Present",NA,NA
+"10299","1-[(Z)-(2-Hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2-Hydroxyphenyl)methylideneamino]-3-[(E)-(2-hydroxyphenyl)methylideneamino]thiourea",NA,"C1=CC=C(C(=C1)C=NNC(=S)NN=CC2=CC=CC=C2O)O","IPCADHRTCDSGLW-ZAGBYUSBSA-N",135408564,NA,"PDBC10299","50827","Present",NA,NA
+"10300","1-[(Z)-(2-Methoxyphenyl)methylideneamino]-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2-Methoxyphenyl)methylideneamino]-2-[(E)-(2-methoxyphenyl)methylideneamino]guanidine",NA,"COC1=CC=CC=C1C=NNC(=NN=CC2=CC=CC=C2OC)N","IENIGYDXVJYENX-UHWBUFEVSA-N",54601314,NA,"PDBC10300","69413","Present",NA,NA
+"10301","1-[(Z)-(2-Nitrophenyl)methylideneamino]-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2-Nitrophenyl)methylideneamino]-3-[(E)-(2-nitrophenyl)methylideneamino]thiourea",NA,"C1=CC=C(C(=C1)C=NNC(=S)NN=CC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]","MSEWEKWTCRFOSN-ZAGBYUSBSA-N",54601410,NA,"PDBC10301","51361","Present",NA,NA
+"10302","1-[(Z)-(2-Oxoindolin-3-ylidene)amino]-3-(2-pyridylmethyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(2-Oxoindolin-3-ylidene)amino]-3-(2-pyridylmethyl)thiourea",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NCC3=CC=CC=N3","FUTJYDAPPGEYIK-UHFFFAOYSA-N",3005083,NA,"PDBC10302","670961","Present",NA,NA
+"10303","1-[(Z)-(3-Ethoxy-4-hydroxyphenyl)methylideneamino]-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(3-Ethoxy-4-hydroxyphenyl)methylideneamino]-3-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]urea",NA,"CCOC1=C(C=CC(=C1)C=NNC(=O)NN=CC2=CC(=C(C=C2)O)OCC)O","RPHOHFJYJKFTJR-WELBJSHPSA-N",135408532,NA,"PDBC10303","48241","Present",NA,NA
+"10304","1-[(Z)-(4-Chlorophenyl)methylideneamino]-3-(6-methoxynaphthalen-2-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(4-Chlorophenyl)methylideneamino]-3-(6-methoxynaphthalen-2-yl)urea",NA,"COC1=CC2=C(C=C1)C=C(C=C2)NC(=O)NN=CC3=CC=C(C=C3)Cl","HKDNBRRQHJXWPY-MTJSOVHGSA-N",6151085,NA,"PDBC10304","690272","Present",NA,NA
+"10305","1-[(Z)-(4-Chlorophenyl)methylideneamino]-3-naphthalen-2-ylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(4-Chlorophenyl)methylideneamino]-3-naphthalen-2-ylurea",NA,"C1=CC=C2C=C(C=CC2=C1)NC(=O)NN=CC3=CC=C(C=C3)Cl","OYKDNSMVNVJCDW-NDENLUEZSA-N",6310234,NA,"PDBC10305","689298","Present",NA,NA
+"10306","1-[(Z)-(4-Methoxyphenyl)methylideneamino]-3-naphthalen-1-ylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(4-Methoxyphenyl)methylideneamino]-3-naphthalen-1-ylurea",NA,"COC1=CC=C(C=C1)C=NNC(=O)NC2=CC=CC3=CC=CC=C32","HAMQKADPBGABCI-MOSHPQCFSA-N",5914027,NA,"PDBC10306","680934","Present",NA,NA
+"10307","1-[(Z)-(4-Nitrophenyl)methylideneamino]-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(4-Nitrophenyl)methylideneamino]-3-phenylurea",NA,"C1=CC=C(C=C1)NC(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-]","BZJITMQJXFAJGL-GDNBJRDFSA-N",5405594,NA,"PDBC10307","671924","Present",NA,NA
+"10308","1-[(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)amino]-3-cyclohexyl-2-sulfanylideneimidazolidine-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(5-Bromo-2-oxo-1H-indol-3-ylidene)amino]-3-cyclohexyl-2-sulfanylideneimidazolidine-4,5-dione",NA,"C1CCC(CC1)N2C(=O)C(=O)N(C2=S)N=C3C4=C(C=CC(=C4)Br)NC3=O","FHQBNVOBEHKWDQ-UHFFFAOYSA-N",135436324,NA,"PDBC10308","718639","Present",NA,NA
+"10309","1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]thiourea",NA,"C1=CC(=C(C=C1Cl)C=NNC(=S)NN=CC2=C(C=CC(=C2)Cl)O)O","DJCOGVNAADFKNZ-CLLFQMGYSA-N",135460243,NA,"PDBC10309","65022","Present",NA,NA
+"10310","1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-3-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]urea",NA,"C1=CC(=C(C=C1Cl)C=NNC(=O)NN=CC2=C(C=CC(=C2)Cl)O)O","GVQSCQWJYFUCAD-CLLFQMGYSA-N",135408530,NA,"PDBC10310","48238","Present",NA,NA
+"10311","1-[(Z)-(5-Nitro-2-oxo-indolin-3-ylidene)amino]-3-(4-nitrophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(5-Nitro-2-oxo-indolin-3-ylidene)amino]-3-(4-nitrophenyl)thiourea",NA,"C1=CC(=CC=C1NC(=S)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]","MECOSHDPJQGRRM-UHFFFAOYSA-N",135426762,NA,"PDBC10311","716767","Present",NA,NA
+"10312","1-[(Z)-(5-Nitronaphthalen-1-yl)methylideneamino]-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(5-Nitronaphthalen-1-yl)methylideneamino]-3-phenylurea",NA,"C1=CC=C(C=C1)NC(=O)NN=CC2=C3C=CC=C(C3=CC=C2)[N+](=O)[O-]","ZFGLIRPADFHFKT-UNOMPAQXSA-N",5899596,NA,"PDBC10312","674491","Present",NA,NA
+"10313","1-[(Z)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-(4-nitrophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-(4-nitrophenyl)urea",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C=NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","HMCWMTOYAJPJEO-NDENLUEZSA-N",6284858,NA,"PDBC10313","691666","Present",NA,NA
+"10314","1-[(Z)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-naphthalen-1-ylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(6-Methoxynaphthalen-2-yl)methylideneamino]-3-naphthalen-1-ylurea",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C=NNC(=O)NC3=CC=CC4=CC=CC=C43","RGTUQRHEAZXGGG-IWIPYMOSSA-N",6277120,NA,"PDBC10314","680932","Present",NA,NA
+"10315","1-[(Z)-(6-Methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-(4-sulfamoylphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)amino)carbothioyl)amino)benzenesulfonamide",NA,"CC1=CC(=C(C(=O)O1)C=NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N)O","LAJPNUWCFKHTKY-FRKPEAEDSA-N",135409088,NA,"PDBC10315","657700","Present",NA,NA
+"10316","1-[(Z)-(6-Methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-phenethyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(6-Methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-phenethyl-thiourea",NA,"CC1=CC(=C(C(=O)O1)C=NC(=S)NCCC2=CC=CC=C2)O","KWVOUYFVVRFRFT-VCHYOVAHSA-N",135409070,NA,"PDBC10316","657579","Present",NA,NA
+"10317","1-[(Z)-(6-Methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-propyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-(6-Methyl-2,4-dioxo-pyran-3-ylidene)methyl]-3-propyl-thiourea",NA,"CCCNC(=S)N=CC1=C(C=C(OC1=O)C)O","PEIPTUBALWLWPC-AWNIVKPZSA-N",135409092,NA,"PDBC10317","657707","Present",NA,NA
+"10318","1-[(Z)-1,2-Bis(4-methoxyphenyl)-2-[[(Z)-1-(methoxycarbonyl)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-[(Z)-2-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-1,2-bis(4-methoxyphenyl)ethenyl]pyrazole-3,4-dicarboxylate",NA,"COC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)SC(=CC(=O)OC)C(=O)OC)N3C=C(C(=N3)C(=O)OC)C(=O)OC","RNPBXJBSLXLIHG-GZAOZUBMSA-N",5471659,NA,"PDBC10318","712735","Present",NA,NA
+"10319","1-[(Z)-1,2-Diphenyl-2-[[(Z)-1-(methoxycarbonyl)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3,4-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-[(Z)-2-[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-1,2-diphenylethenyl]pyrazole-3,4-dicarboxylate",NA,"COC(=O)C=C(C(=O)OC)SC(=C(C1=CC=CC=C1)N2C=C(C(=N2)C(=O)OC)C(=O)OC)C3=CC=CC=C3","DRHTUWHJTFSAER-MONBMGCGSA-N",5471657,NA,"PDBC10319","712733","Present",NA,NA
+"10320","1-[(Z)-1,2-Diphenyl-2-[[(Z)-3-oxo-3-methoxy-1-propenyl]thio]ethenyl]-1H-pyrazole-3-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[(Z)-2-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-1,2-diphenylethenyl]pyrazole-3-carboxylate",NA,"COC(=O)C=CSC(=C(C1=CC=CC=C1)N2C=CC(=N2)C(=O)OC)C3=CC=CC=C3","MLUSCGLGARAUJY-VJSMIHFMSA-N",5471658,NA,"PDBC10320","712734","Present",NA,NA
+"10321","1-[(Z)-1-Chloro-2-[4-[(Z)-2-chloro-2-(2,4-dinitrophenyl)vinyl]phenyl]vinyl]-2,4-dinitro-benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-1-Chloro-2-[4-[(Z)-2-chloro-2-(2,4-dinitrophenyl)vinyl]phenyl]vinyl]-2,4-dinitro-benzene",NA,"C1=CC(=CC=C1C=C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)C=C(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl","QMZVNISRQXPNKX-QJUDHZBZSA-N",5388495,NA,"PDBC10321","636510","Present",NA,NA
+"10322","1-[(Z)-1-Pyrazin-2-ylethylideneamino]-3-[2-(2-pyridyl)ethyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-1-Pyrazin-2-ylethylideneamino]-3-[2-(2-pyridyl)ethyl]thiourea",NA,"CC(=NNC(=S)NCCC1=CC=CC=N1)C2=NC=CN=C2","SLUJSCHZLNPQJR-ODLFYWEKSA-N",5903816,NA,"PDBC10322","689536","Present",NA,NA
+"10323","1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(2-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(2-methylphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(2-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(2-methylphenyl)thiourea",NA,"CC1=CC=CC=C1NC(=S)NN=C(C)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=CC=C3C)C","AZAAMQZQWONCRQ-XLRODDBQSA-N",6172220,NA,"PDBC10323","668490","Present",NA,NA
+"10324","1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(3-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(3-methylphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(3-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(3-methylphenyl)thiourea",NA,"CC1=CC(=CC=C1)NC(=S)NN=C(C)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=CC(=C3)C)C","RXCAJJOZDOBUMR-XLRODDBQSA-N",6373421,NA,"PDBC10324","668489","Present",NA,NA
+"10325","1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(4-methylphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(4-methylphenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(4-methylphenyl)thiourea",NA,"CC1=CC=C(C=C1)NC(=S)NN=C(C)C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=C(C=C3)C)C","MZPSYWIZPCZIKD-XLRODDBQSA-N",6371881,NA,"PDBC10325","668488","Present",NA,NA
+"10326","1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(4-nitrophenyl)carbamothioylamino]carbonimidoyl]-2-pyridyl]ethylideneamino]-3-(4-nitrophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-1-[6-[(Z)-C-Methyl-N-[(4-nitrophenyl)carbamothioylamino]carbonimidoyl]pyridin-2-yl]ethylideneamino]-3-(4-nitrophenyl)thiourea",NA,"CC(=NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C2=NC(=CC=C2)C(=NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])C","AENSFOUNUJQZIA-DTTYEBRZSA-N",11979444,NA,"PDBC10326","668487","Present",NA,NA
+"10327","1-[(Z)-2,3-Dibromoallyl]-3-(1-naphthyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-2,3-Dibromoallyl]-3-(1-naphthyl)thiourea",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=S)NCC(=CBr)Br","AZIZQHJEOVVYBO-FLIBITNWSA-N",5916271,NA,"PDBC10327","665681","Present",NA,NA
+"10328","1-[(Z)-2,3-Dichloroallyl]-3-tetralin-5-yl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-2,3-Dichloroallyl]-3-tetralin-5-yl-urea",NA,"C1CCC2=C(C1)C=CC=C2NC(=O)NCC(=CCl)Cl","PPRWSTOZNNTELC-FLIBITNWSA-N",6280329,NA,"PDBC10328","664964","Present",NA,NA
+"10329","1-[(Z)-2-Diethoxyphosphorylvinyl]-5-methyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-2-Diethoxyphosphorylvinyl]-5-methyl-pyrimidine-2,4-dione",NA,"CCOP(=O)(C=CN1C=C(C(=O)NC1=O)C)OCC","UXLGYEMCEQNJGM-SREVYHEPSA-N",5470772,NA,"PDBC10329","704892","Present",NA,NA
+"10330","1-[(Z)-2-Diethoxyphosphorylvinyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-2-Diethoxyphosphorylvinyl]pyrimidine-2,4-dione",NA,"CCOP(=O)(C=CN1C=CC(=O)NC1=O)OCC","RRXIPCLAHYKRSU-FPLPWBNLSA-N",5470770,NA,"PDBC10330","704890","Present",NA,NA
+"10331","1-[(Z)-5-Trimethylsilylpent-4-enyl]pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-5-Trimethylsilylpent-4-enyl]pyrrolidine-2,5-dione",NA,"C[Si](C)(C)C=CCCCN1C(=O)CCC1=O","WBXGSXIRGMRUKA-POHAHGRESA-N",5386730,NA,"PDBC10331","617371","Present",NA,NA
+"10332","1-[(Z)-Benzylideneamino]-2-[(E)-benzylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-Benzylideneamino]-2-[(E)-benzylideneamino]guanidine",NA,"C1=CC=C(C=C1)C=NNC(=NN=CC2=CC=CC=C2)N","ZWLXITGRGUNARS-MJZABRMRSA-N",54602470,NA,"PDBC10332","68154","Present",NA,NA
+"10333","1-[(Z)-Naphthalen-1-ylmethylideneamino]-3-(4-nitrophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-Naphthalen-1-ylmethylideneamino]-3-(4-nitrophenyl)urea",NA,"C1=CC=C2C(=C1)C=CC=C2C=NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","CCMCAPDCEKQGPS-UNOMPAQXSA-N",6078767,NA,"PDBC10333","691664","Present",NA,NA
+"10334","1-[(Z)-Naphthalen-2-ylmethylideneamino]-3-(4-nitrophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-Naphthalen-2-ylmethylideneamino]-3-(4-nitrophenyl)urea",NA,"C1=CC=C2C=C(C=CC2=C1)C=NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","GIMIOKCHAJQOGI-UNOMPAQXSA-N",6279232,NA,"PDBC10334","691665","Present",NA,NA
+"10335","1-[(Z)-[1,2-Bis(4-methoxyphenyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-[1,2-Bis(4-methoxyphenyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]guanidine",NA,"COC1=CC=C(C=C1)C(C2C3=CC=CC=C3C(=O)O2)C(=NN=C(N)N)C4=CC=C(C=C4)OC","SCDHEMCYZBPAHK-XAYXJRQQSA-N",9571298,NA,"PDBC10335","641815","Present",NA,NA
+"10336","1-[(Z)-[1-(2-Naphthyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-[1-(2-Naphthyl)-2-(3-oxo-1H-isobenzofuran-1-yl)ethylidene]amino]guanidine",NA,"C1=CC=C2C=C(C=CC2=C1)C(=NN=C(N)N)CC3C4=CC=CC=C4C(=O)O3","ICLIXDCBELVJFF-MOHJPFBDSA-N",9571325,NA,"PDBC10336","642635","Present",NA,NA
+"10337","1-[(Z)-[4-(Dimethylamino)phenyl]methylideneamino]-3-naphthalen-1-ylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Z)-[4-(Dimethylamino)phenyl]methylideneamino]-3-naphthalen-1-ylurea",NA,"CN(C)C1=CC=C(C=C1)C=NNC(=O)NC2=CC=CC3=CC=CC=C32","LLDLVXDEARUDBL-STZFKDTASA-N",5911253,NA,"PDBC10337","680930","Present",NA,NA
+"10338","1-[(t-Butyloxy)carbonyl]-3-(chloromethyl)-6-hydroxy-indoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(t-Butyloxy)carbonyl]-3-(chloromethyl)-6-hydroxy-indo...",NA,"CC(C)(C)OC(=O)N1CC(C2=C1C=C(C=C2)O)CCl","STIVAFOWPKOPJD-UHFFFAOYSA-N",385366,NA,"PDBC10338","676516","Present",NA,NA
+"10339","1-[1,1-Bis(4-phenylmethoxyphenyl)but-1-en-2-yl]-4-methoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-[2-(4-Methoxyphenyl)but-1-ene-1,1-diyl]bis[4-(benzyloxy)benzene]",NA,"CCC(=C(C1=CC=C(C=C1)OCC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)C5=CC=C(C=C5)OC","ULGLFCVWSSBSSC-UHFFFAOYSA-N",370883,NA,"PDBC10339","644618","Present",NA,NA
+"10340","1-[1,2-Dichloro-2-[4-[1,2-dichloro-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitro-benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1,2-Dichloro-2-[4-[1,2-dichloro-2-(2,4-dinitrophenyl)ethyl]phenyl]ethyl]-2,4-dinitro-benzene",NA,"C1=CC(=CC=C1C(C(C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)Cl)C(C(C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl)Cl","LYNBJUDBJRYFET-UHFFFAOYSA-N",367124,NA,"PDBC10340","636511","Present",NA,NA
+"10341","1-[1,3-Bis(phenylmethoxy)propan-2-yloxymethyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-({[1,3-Bis(benzyloxy)propan-2-yl]oxy}methyl)pyrimidine-2,4(1H,3H)-dione",NA,"C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OCN3C=CC(=O)NC3=O","LWCIVTIGXVBGHL-UHFFFAOYSA-N",363046,NA,"PDBC10341","627592","Present",NA,NA
+"10342","1-[1,4,4-Tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1,4,4-Tris(benzotriazol-1-yl)-3-nitro-buta-1,3-dienyl]benzotriazole",NA,"C1=CC=C2C(=C1)N=NN2C(=CC(=C(N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5)[N+](=O)[O-])N7C8=CC=CC=C8N=N7","KLKSOLOBRLDNPS-UHFFFAOYSA-N",379905,NA,"PDBC10342","665097","Present",NA,NA
+"10343","1-[1,4-Dioxo-3-(p-tolylsulfonylamino)tetralin-2-yl]pyridin-1-ium-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1,4-Dioxo-3-(p-tolylsulfonylamino)tetralin-2-yl]pyridin-1-ium-3-carboxamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)[N-]C2C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC(=C4)C(=O)N","KYNMTJIRTDVXSF-UHFFFAOYSA-N",389576,NA,"PDBC10343","685882","Present",NA,NA
+"10344","1-[1,5-Dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]-N,N-bis[[1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl]methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,5-dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxat...",NA,"CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)CN(CC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F)CC9=C(OC1C23C9CCC(C2CCC(O1)(OO3)C)C)C(F)(F)F","BORNDRGGNPYKQJ-UHFFFAOYSA-N",406570,NA,"PDBC10344","724783","Present",NA,NA
+"10345","1-[1-(1-Benzothiophen-2-yl)cycloheptyl]piperidine;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(1-Benzothiophen-2-yl)cycloheptyl]piperidine;(E)-but-2-enedioic acid",NA,"C1CCCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4.C(=CC(=O)O)C(=O)O","HOYGPGFKMLCXGD-WLHGVMLRSA-N",5471072,NA,"PDBC10345","708087","Present",NA,NA
+"10346","1-[1-(1-Benzothiophen-2-yl)cycloheptyl]pyrrolidine;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(1-Benzothiophen-2-yl)cycloheptyl]pyrrolidine;(E)-but-2-enedioic acid",NA,"C1CCCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCC4.C(=CC(=O)O)C(=O)O","IKHKCZMAFYHWCD-WLHGVMLRSA-N",5471071,NA,"PDBC10346","708086","Present",NA,NA
+"10347","1-[1-(1-Benzothiophen-2-yl)cyclohexyl]azepane;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(1-Benzothiophen-2-yl)cyclohexyl]azepane;(E)-but-2-enedioic acid",NA,"C1CCCN(CC1)C2(CCCCC2)C3=CC4=CC=CC=C4S3.C(=CC(=O)O)C(=O)O","NFFWYTSCCOJAAQ-WLHGVMLRSA-N",5471070,NA,"PDBC10347","708085","Present",NA,NA
+"10348","1-[1-(1-Benzothiophen-2-yl)cyclopentyl]piperidine;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(1-Benzothiophen-2-yl)cyclopentyl]piperidine;(E)-but-2-enedioic acid",NA,"C1CCN(CC1)C2(CCCC2)C3=CC4=CC=CC=C4S3.C(=CC(=O)O)C(=O)O","NHMDEELDYWHEEQ-WLHGVMLRSA-N",5471077,NA,"PDBC10348","708123","Present",NA,NA
+"10349","1-[1-(1H-Pyrrole-2-yl)ethylidene]thiosemicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18360",NA,"CC(=NNC(=S)N)C1=CC=CN1","YYZCEOGYVYXDPC-YHYXMXQVSA-N",135431246,NA,"PDBC10349","18360","Present",NA,NA
+"10350","1-[1-(2-Hydroxyethoxy)-2-phenyl-ethyl]-5-methyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(2-Hydroxyethoxy)-2-phenyl-ethyl]-5-methyl-pyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C(CC2=CC=CC=C2)OCCO","PILRPCHPBWYLFZ-UHFFFAOYSA-N",395837,NA,"PDBC10350","700840","Present",NA,NA
+"10351","1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(2-Methylideneheptyl)pyrrolidin-2-yl]ethanone",NA,"CCCCCC(=C)CN1CCCC1C(=O)C","XFZPNEAFCLCOJB-UHFFFAOYSA-N",357791,NA,"PDBC10351","617318","Present",NA,NA
+"10352","1-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-2,3-benzodiazepin-3-yl]ethanone",NA,"CCC1=C(N(N=C(C2=CC(=C(C=C21)OC)OC)C3=CC(=C(C=C3)OC)OC)C(=O)C)C","CLJPSMAKAGRZBN-UHFFFAOYSA-N",343249,NA,"PDBC10352","382585","Present",NA,NA
+"10353","1-[1-(4-Chlorophenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(4-Chlorophenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-2,2,2-trifluoroethanone",NA,"CC1=C(C(=CN1C2=CC=C(C=C2)Cl)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(F)(F)F","NDSHIKMDMQDNOW-UHFFFAOYSA-N",45027963,NA,"PDBC10353","740354","Present",NA,NA
+"10354","1-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazolidine-3,5-dione",NA,"C1C(=O)NN(C1=O)C(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl","APMGJGAIIAZKFY-UHFFFAOYSA-N",46884877,NA,"PDBC10354","748381","Present",NA,NA
+"10355","1-[1-(4-Fluorophenyl)-5-pentylpyrrolidin-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(4-Fluorophenyl)-5-pentylpyrrolidin-3-yl]ethanone",NA,"CCCCCC1CC(CN1C2=CC=C(C=C2)F)C(=O)C","ZWJWTZRKDXRPPE-UHFFFAOYSA-N",358979,NA,"PDBC10355","619175","Present",NA,NA
+"10356","1-[1-(5-Bromo-4-nitrothiophen-2-yl)cyclohexyl]piperidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidine, 1-[1-(5-bromo-4-nitro-2-thienyl)-1-cyclohexy...",NA,"C1CCC(CC1)(C2=CC(=C(S2)Br)[N+](=O)[O-])N3CCCCC3.Cl","RZFYMHYGQIDVCA-UHFFFAOYSA-N",398716,NA,"PDBC10356","708859","Present",NA,NA
+"10357","1-[1-(5-Bromothiophen-2-yl)cyclohexyl]piperidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(5-Bromo-2-thienyl)cyclohexyl]piperidine hydrochloride",NA,"C1CCC(CC1)(C2=CC=C(S2)Br)N3CCCCC3.Cl","SCDNIQNQKYYBMY-UHFFFAOYSA-N",398714,NA,"PDBC10357","708858","Present",NA,NA
+"10358","1-[1-(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-[[6-(1-hydroxy-2-piperidin-1-ylethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]ethyl]-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-2-[[6-(1-hydroxy-2-piperidin-1-ylethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]ethyl]-3-phenylu",NA,"CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C(CN5CCCCC5)O)OC(O4)(C)C)NC(=O)NC6=CC=CC=C6)OC(O2)(C)C","AKTGPUOZBYDHQZ-UHFFFAOYSA-N",45028443,NA,"PDBC10358","742857","Present",NA,NA
+"10359","1-[1-(Diethoxymethyl)propylselanyl]-2-nitro-benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(1,1-Diethoxybutan-2-yl)selanyl]-2-nitrobenzene",NA,"CCC(C(OCC)OCC)[Se]C1=CC=CC=C1[N+](=O)[O-]","KTHWBZRYNKIWOQ-UHFFFAOYSA-N",371757,NA,"PDBC10359","646200","Present",NA,NA
+"10360","1-[1-(Diethylamino)propan-2-ylamino]-4-methylthioxanthen-9-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioxanthen-9-one, 1-(2-diethylamino-1-methylethylamino)...",NA,"CCN(CC)CC(C)NC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl","WNNPLIGHJGEKBR-UHFFFAOYSA-N",21144191,NA,"PDBC10360","38110","Present",NA,NA
+"10361","1-[1-[2-(1H-Indol-3-yl)ethyl]-5-methoxypyridin-1-ium-3-yl]ethanol;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]-5-methoxypyridinium bromide",NA,"CC(C1=CC(=C[N+](=C1)CCC2=CNC3=CC=CC=C32)OC)O.[Br-]","XPOXDHFMVNDIRU-UHFFFAOYSA-M",372084,NA,"PDBC10361","646963","Present",NA,NA
+"10362","1-[1-[2-(2,3-Dihydro-1H-indol-3-yl)ethyl]-5-methoxypyridin-1-ium-3-yl]ethanol;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(2,3-Dihydro-1H-indol-3-yl)ethyl]-3-(1-hydroxyethyl)-5-methoxypyridinium bromide",NA,"CC(C1=CC(=C[N+](=C1)CCC2CNC3=CC=CC=C23)OC)O.[Br-]","PPNAWISQOZPBFD-UHFFFAOYSA-M",372092,NA,"PDBC10362","646968","Present",NA,NA
+"10363","1-[1-[Ethyl(2-hydroxyethyl)amino]propan-2-ylamino]-4-nitrothioxanthen-9-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioxanthen-9-one, 1-[[2-[ethyl(2-hydroxyethyl)amino]-1-...",NA,"CCN(CCO)CC(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.Cl","SEYOKBGFWOGXBT-UHFFFAOYSA-N",21144228,NA,"PDBC10363","52936","Present",NA,NA
+"10364","1-[10-(4,6-Dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-1-yl)-10-oxo-decanoyl]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[10-(4,6-Dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)-10-oxodecanoyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"C1C(=O)N(C(=S)N(C1=O)C(=O)CCCCCCCCC(=O)N2C(=O)CC(=O)N(C2=S)C3=CC=CC=C3)C4=CC=CC=C4","KJPOWWWJTQGZBN-UHFFFAOYSA-N",395651,NA,"PDBC10364","700433","Present",NA,NA
+"10365","1-[10-(5-Carbamimidoyl-2,4-dioxo-hexahydropyrimidin-1-yl)decyl]-2,4-dioxo-hexahydropyrimidine-5-carboxamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[10-(5-Carbamimidoyl-2,4-dioxo-1,3-diazinan-1-yl)decyl]-2,4-dioxo-1,3-diazinane-5-carboximidamide",NA,"C1C(C(=O)NC(=O)N1CCCCCCCCCCN2CC(C(=O)NC2=O)C(=N)N)C(=N)N","PFIHAPIECMJACH-UHFFFAOYSA-N",379069,NA,"PDBC10365","663244","Present",NA,NA
+"10366","1-[10-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl]-9H-acridin-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[10-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]propyl]-9H-acridin-3-yl]ethanone",NA,"CC(=O)C1=CC2=C(CC3=CC=CC=C3N2CCCN4CCN(CC4)CCO)C=C1","OWKRYFAFKQFHCE-UHFFFAOYSA-N",398340,NA,"PDBC10366","708060","Present",NA,NA
+"10367","1-[10-[4-(Dimethylamino)-2-methylquinolin-1-ium-1-yl]decyl]-N,N,2-trimethylquinolin-1-ium-4-amine;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 1,1'-(1,10-decanediyl)bis[4-(dimethylamino)...",NA,"CC1=[N+](C2=CC=CC=C2C(=C1)N(C)C)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N(C)C)C.[O-]Cl(=O)(=O)=O","SMAYEIXANKBOES-UHFFFAOYSA-M",387883,NA,"PDBC10367","682095","Present",NA,NA
+"10368","1-[10-[[1-[10-(4-Amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-yl]amino]decyl]-2-methylquinolin-1-ium-4-amine;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[10-[[1-[10-(4-Amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-yl]amino]decyl]-2-methylquinolin-1-ium-4-amine;iodide",NA,"CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCCNC3=CC(=[N+](C4=CC=CC=C43)CCCCCCCCCC[N+]5=C(C=C(C6=CC=CC=C65)N)C)C.[I-]","VFWWIQIGFZFVPZ-UHFFFAOYSA-P",387887,NA,"PDBC10368","682097","Present",NA,NA
+"10369","1-[11-(3-Bromophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[11-(3-Bromophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone",NA,"CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC(=CC=C5)Br)C(=O)C","XMSAFJLUMOZSFM-UHFFFAOYSA-N",388256,NA,"PDBC10369","682867","Present",NA,NA
+"10370","1-[11-(4-Fluorophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[11-(4-Fluorophenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone",NA,"CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC=C(C=C5)F)C(=O)C","UFIZMYKTTQBBRM-UHFFFAOYSA-N",388258,NA,"PDBC10370","682869","Present",NA,NA
+"10371","1-[11-(4-Methoxyphenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[11-(4-Methoxyphenyl)-13-methyl-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone",NA,"CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC=C(C=C5)OC)C(=O)C","SEKSEGCZJSHSEM-UHFFFAOYSA-N",388257,NA,"PDBC10371","682868","Present",NA,NA
+"10372","1-[11-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,14-dimethylpentadecan-5-yl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[11-(6,7-Dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)-2,14-dimethylpentadecan-5-yl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;hydrochloride",NA,"CC(C)CCC(CCCCCC(CCC(C)C)C1C2=CC(=C(C=C2CCN1)OC)OC)C3C4=CC(=C(C=C4CCN3)OC)OC.Cl","ZIBIEOIBTBERJS-UHFFFAOYSA-N",24183466,NA,"PDBC10372","27416","Present",NA,NA
+"10373","1-[12-(3-Formylindol-1-yl)dodecyl]indole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[12-(3-Formylindol-1-yl)dodecyl]indole-3-carbaldehyde",NA,"C1=CC=C2C(=C1)C(=CN2CCCCCCCCCCCCN3C=C(C4=CC=CC=C43)C=O)C=O","ISCYKAGOPIKQFI-UHFFFAOYSA-N",381742,NA,"PDBC10373","668602","Present",NA,NA
+"10374","1-[13-Methyl-11-(3,4,5-trimethoxyphenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[13-Methyl-11-(3,4,5-trimethoxyphenyl)-15-thia-12,17-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,16-hexaen-14-yl]ethanone",NA,"CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)C","LUJZWKDTQHREOR-UHFFFAOYSA-N",388259,NA,"PDBC10374","682870","Present",NA,NA
+"10375","1-[1alpha-(Benzo[b]thiophen-2-yl)-4beta-isothiocyanatocyclohexyl]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(Benzothiophen-2-yl)-4-isothiocyanato-cyclohexyl]piperidine",NA,"C1CCN(CC1)C2(CCC(CC2)N=C=S)C3=CC4=CC=CC=C4S3","OHYWQCRPXXLZMZ-UHFFFAOYSA-N",398383,NA,"PDBC10375","708096","Present",NA,NA
+"10376","1-[2'-Deoxy-beta-D-ribo-furanosyl]-5-amino-pyrrolo[2,3-f]-quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2'-Deoxy-.beta.-D-ribo-furanosyl]-5-amino-pyrrolo[2,3...",NA,"C1C(C(OC1N2C=CC3=C2C=CC4=CN=C(N=C43)N)CO)O","LUGRUDZVOVYBFE-UHFFFAOYSA-N",24205391,NA,"PDBC10376","735359","Present",NA,NA
+"10377","1-[2,2-Bis(4-phenylmethoxyphenyl)ethenyl]-4-methoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-[2-(4-Methoxyphenyl)ethene-1,1-diyl]bis[4-(benzyloxy)benzene]",NA,"COC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5","WEPZIGQWIXTQSH-UHFFFAOYSA-N",370875,NA,"PDBC10377","644610","Present",NA,NA
+"10378","1-[2,2-Diethyl-4-(trifluoromethyl)-1H-benzo[h]quinazolin-6-yl]-2,2,2-trifluoroethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2,2-Diethyl-4-(trifluoromethyl)-2,3-dihydrobenzo[h]quinazolin-6-yl]-2,2,2-trifluoroethanone",NA,"CCC1(NC2=C(C=C(C3=CC=CC=C32)C(=O)C(F)(F)F)C(=N1)C(F)(F)F)CC","ANJTWHWNJGMOHE-UHFFFAOYSA-N",135426726,NA,"PDBC10378","711691","Present",NA,NA
+"10379","1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-2-(butylamino)ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-2-(butylamino)ethanol;hydrochloride",NA,"CCCCNCC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.Cl","CJDMBLURYPQUIH-UHFFFAOYSA-N",24198823,NA,"PDBC10379","305777","Present",NA,NA
+"10380","1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-2-(dibutylamino)ethanol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-2-(dibutylamino)ethanol hydrochloride",NA,"CCCCN(CCCC)CC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.Cl","MSUSHVMOFURADQ-UHFFFAOYSA-N",24198820,NA,"PDBC10380","305772","Present",NA,NA
+"10381","1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-3-(dibutylamino)propan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-3-(dibutylamino)propan-1-ol",NA,"CCCCN(CCCC)CCC(C1=CC(=NC(=C1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.Cl","RVRVSWFVRWJBTJ-UHFFFAOYSA-N",24198828,NA,"PDBC10381","305790","Present",NA,NA
+"10382","1-[2-((2E)-2-{1-Methyl-3-[(3-nitrophenyl)amino]-3-oxopropylidene}hydrazino)-2-oxoethyl]pyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-N-(3-Nitrophenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]butanamide;chloride",NA,"CC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)NC2=CC(=CC=C2)[N+](=O)[O-].[Cl-]","OMKNVATZFAWIGI-XTWSRORZSA-N",9571666,NA,"PDBC10382","641860","Present",NA,NA
+"10383","1-[2-((2E)-2-{1-Methyl-3-oxo-3-[(2-phenylethyl)amino]propylidene}hydrazino)-2-oxoethyl]pyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-N-(2-Phenylethyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]butanamide;chloride",NA,"CC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)NCCC2=CC=CC=C2.[Cl-]","CBEVENLCBUQTCA-JEBHESKQSA-N",9555840,NA,"PDBC10383","641847","Present",NA,NA
+"10384","1-[2-((2E)-2-{2-[(3-Methoxyphenyl)amino]-1-[(3-methylquinoxalin-2-yl)methyl]-2-oxoethylidene}hydrazino)-2-oxoethyl]pyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-N-(3-Methoxyphenyl)-3-(3-methylquinoxalin-2-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]propanamide;chloride",NA,"CC1=NC2=CC=CC=C2N=C1CC(=NNC(=O)C[N+]3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)OC.[Cl-]","KMCXRDIXRUEQEO-UHFFFAOYSA-N",6517268,NA,"PDBC10384","646783","Present",NA,NA
+"10385","1-[2-((2E)-2-{3-[(4-Chlorophenyl)amino]-1-methyl-3-oxopropylidene}hydrazino)-2-oxoethyl]pyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-N-(4-Chlorophenyl)-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]butanamide;chloride",NA,"CC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)NC2=CC=C(C=C2)Cl.[Cl-]","FXFCEACFBMTPCE-UNUAAEKOSA-N",9555841,NA,"PDBC10385","641849","Present",NA,NA
+"10386","1-[2-(1,3-Dithian-2-yl)phenyl]-2,5-dimethyl-pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(1,3-Dithian-2-yl)phenyl]-2,5-dimethyl-pyrrole",NA,"CC1=CC=C(N1C2=CC=CC=C2C3SCCCS3)C","XROATGXVKGCWAT-UHFFFAOYSA-N",389271,NA,"PDBC10386","685024","Present",NA,NA
+"10387","1-[2-(1-Hydroxybut-3-ynyl)phenyl]but-3-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(1-Hydroxybut-3-ynyl)phenyl]but-3-yn-1-ol",NA,"C#CCC(C1=CC=CC=C1C(CC#C)O)O","XBBNTCTUWOYKJA-UHFFFAOYSA-N",361626,NA,"PDBC10387","624843","Present",NA,NA
+"10388","1-[2-(1H-Benzimidazol-2-yl)ethyl]-2-methylbenzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(1h-Benzimidazol-2-yl)ethyl]-2-methyl-benzimidazole",NA,"CC1=NC2=CC=CC=C2N1CCC3=NC4=CC=CC=C4N3","UMFPRXONBXYIKT-UHFFFAOYSA-N",396635,NA,"PDBC10388","703134","Present",NA,NA
+"10389","1-[2-(1H-Indol-2-yl)-2-oxoethyl]-4-methoxypyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(1h-Indol-2-yl)-2-oxo-ethyl]-4-methoxy-pyrimidin-2-one",NA,"COC1=NC(=O)N(C=C1)CC(=O)C2=CC3=CC=CC=C3N2","RZERZCHFTZLICQ-UHFFFAOYSA-N",396999,NA,"PDBC10389","704236","Present",NA,NA
+"10390","1-[2-(1H-Indol-3-yl)ethyl]-2-methyl-3-phenylmethoxypyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzyloxy)-1-[2-(1h-indol-3-yl)ethyl]-2-methylpyridin-4(1h)-one",NA,"CC1=C(C(=O)C=CN1CCC2=CNC3=CC=CC=C32)OCC4=CC=CC=C4","LOECBFUNADURPF-UHFFFAOYSA-N",404681,NA,"PDBC10390","721120","Present",NA,NA
+"10391","1-[2-(1H-Indol-3-yl)ethyl]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(1H-Indol-3-yl)ethyl)-1H-indole",NA,"C1=CC=C2C(=C1)C=CN2CCC3=CNC4=CC=CC=C43","QTHJXQCOLGYAGN-UHFFFAOYSA-N",378604,NA,"PDBC10391","661244","Present",NA,NA
+"10392","1-[2-(1H-Indol-3-yl)ethyl]piperidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(1H-Indol-3-yl)ethyl]piperidine-2-carboxylic acid",NA,"C1CCN(C(C1)C(=O)O)CCC2=CNC3=CC=CC=C32","BHHZUKSUOKMHHL-UHFFFAOYSA-N",396991,NA,"PDBC10392","704228","Present",NA,NA
+"10393","1-[2-(1H-Indol-3-yl)ethyl]piperidine-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(1H-Indol-3-yl)ethyl]piperidine-3-carboxylic acid",NA,"C1CC(CN(C1)CCC2=CNC3=CC=CC=C32)C(=O)O","PVMXBAQIDQNRNY-UHFFFAOYSA-N",396990,NA,"PDBC10393","704227","Present",NA,NA
+"10394","1-[2-(2,4-Dichlorophenyl)ethyl]indole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659335",NA,"C1=CC=C2C(=C1)C=CN2CCC3=C(C=C(C=C3)Cl)Cl.Cl","KILJSNMHVMKXOW-UHFFFAOYSA-N",377744,NA,"PDBC10394","659335","Present",NA,NA
+"10395","1-[2-(2,5-Dioxo-4-phenyl-piperazin-1-yl)ethyl]-4-phenyl-piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(2,5-Dioxo-4-phenyl-piperazin-1-yl)ethyl]-4-phenyl-piperazine-2,5-dione",NA,"C1C(=O)N(CC(=O)N1CCN2CC(=O)N(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4","ZJZKCXQWMXYPTF-UHFFFAOYSA-N",376330,NA,"PDBC10395","657162","Present",NA,NA
+"10396","1-[2-(2-Cyanoethylamino)ethyl]-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(2-Cyanoethylamino)ethyl]-3-phenyl-1-[2-[N-(phenylcarbamoyl)anilino]ethyl]urea",NA,"C1=CC=C(C=C1)NC(=O)N(CCNCCC#N)CCN(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3","PULIUBGECBSXJE-UHFFFAOYSA-N",393247,NA,"PDBC10396","694874","Present",NA,NA
+"10397","1-[2-(2-Hydroxyethoxy)ethoxy]-9,10-anthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(2-Hydroxyethoxy)ethoxy]-9,10-anthraquinone",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCO","VPNNMUNVZCJJLA-UHFFFAOYSA-N",335015,NA,"PDBC10397","342913","Present",NA,NA
+"10398","1-[2-(2-Hydroxyethylamino)ethyl]-3-[(E)-(4-methoxyphenyl)methylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(2-Hydroxyethylamino)ethyl]-3-[(E)-(4-methoxyphenyl)methylideneamino]urea",NA,"COC1=CC=C(C=C1)C=NNC(=O)NCCNCCO","HCWGOFOSKUTMDY-MHWRWJLKSA-N",9554128,NA,"PDBC10398","656196","Present",NA,NA
+"10399","1-[2-(2-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(2-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine ethanedioate",NA,"COC1=CC=CC=C1CCN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O","NAIHSEYNVVGLMM-UHFFFAOYSA-N",401859,NA,"PDBC10399","715561","Present",NA,NA
+"10400","1-[2-(2-Pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(2-Pyridyl)ethyl]-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,"C1=CC=NC(=C1)CCNC(=S)NN=CC2=CC=CC=N2","YDGUQTMRXAWNNJ-WOJGMQOQSA-N",9571904,NA,"PDBC10400","670779","Present",NA,NA
+"10401","1-[2-(3,3-Dimethyl-2-oxobutyl)-2-hydroxy-1,4-benzothiazin-3-yl]-3,3-dimethylbutan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(3,3-Dimethyl-2-oxobutyl)-2-hydroxy-1,4-benzothiazin-3-yl]-3,3-dimethylbutan-2-one",NA,"CC(C)(C)C(=O)CC1=NC2=CC=CC=C2SC1(CC(=O)C(C)(C)C)O","DPOBZBFEZWWIMT-UHFFFAOYSA-N",404244,NA,"PDBC10401","720422","Present",NA,NA
+"10402","1-[2-(3,4-Dichlorophenyl)ethyl]-4-(3-phenylpropyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(3,4-Dichlorophenyl)ethyl]-4-(3-phenylpropyl)piperazine",NA,"C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC(=C(C=C3)Cl)Cl","MXPILNNLSULRSB-UHFFFAOYSA-N",401827,NA,"PDBC10402","715543","Present",NA,NA
+"10403","1-[2-(3,4-Dimethoxyphenyl)acetyl]-3a-methyl-2,3,4,6-tetrahydroindol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(3,4-Dimethoxyphenyl)acetyl]-3a-methyl-2,3,4,6-tetrahydroindol-5-one",NA,"CC12CCN(C1=CCC(=O)C2)C(=O)CC3=CC(=C(C=C3)OC)OC","KNAQWOKFHKHYGF-UHFFFAOYSA-N",397462,NA,"PDBC10403","705320","Present",NA,NA
+"10404","1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-2-methylpyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(3,4-Dimethoxyphenyl)ethyl]-3-hydroxy-2-methylpyridin-4(1h)-one",NA,"CC1=C(C(=O)C=CN1CCC2=CC(=C(C=C2)OC)OC)O","MCLRUJVAKWUPAU-UHFFFAOYSA-N",404686,NA,"PDBC10404","721125","Present",NA,NA
+"10405","1-[2-(3,4-Dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(3,4-Dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline",NA,"CN1CCC2=CC(=C(C=C2C1CCC3=CC(=C(C=C3)OC)OC)OC)OC","AECKSTRRHRODOS-UHFFFAOYSA-N",371242,NA,"PDBC10405","645298","Present",NA,NA
+"10406","1-[2-(3-Chlorophenyl)-2-oxoethyl]-2-acetylbenzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(3-Chlorophenyl)-2-oxoethyl]-2-acetylbenzimidazole",NA,"CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC(=CC=C3)Cl","MVANUQIGPAVACK-UHFFFAOYSA-N",46911792,NA,"PDBC10406","748533","Present",NA,NA
+"10407","1-[2-(3-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(3-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine ethanedioate",NA,"COC1=CC=CC(=C1)CCN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O","XLCVWXSSVDMPFZ-UHFFFAOYSA-N",401861,NA,"PDBC10407","715562","Present",NA,NA
+"10408","1-[2-(4-Bromophenyl)-2-oxoethyl]-4-octylpyridin-1-ium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(4-Bromophenyl)-2-oxoethyl]-4-octylpyridin-1-ium bromide",NA,"CCCCCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)Br.[Br-]","DLVBEAORYDCUJK-UHFFFAOYSA-M",24181043,NA,"PDBC10408","4303","Present",NA,NA
+"10409","1-[2-(4-Chlorophenyl)-2-oxoethyl]-3-phenylquinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(4-Chlorophenyl)-2-oxoethyl]-3-phenylquinoxalin-2-one",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CC(=O)C4=CC=C(C=C4)Cl","KUMJOABSULDVNP-UHFFFAOYSA-N",11975057,NA,"PDBC10409","734784","Present",NA,NA
+"10410","1-[2-(4-Imidazolyl)ethyl]-3-(4-methylphenylsulfonyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(1H-Imidazol-5-yl)ethyl]-3-(4-methylphenyl)sulfonylurea",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CN=CN2","FQSKBIRASYBLEL-UHFFFAOYSA-N",395829,NA,"PDBC10410","700721","Present",NA,NA
+"10411","1-[2-(4-Methoxyanilino)-1-naphthyl]naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(4-Methoxyanilino)-1-naphthyl]naphthalen-2-ol",NA,"COC1=CC=C(C=C1)NC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O","MJEWEYFACUWOCH-UHFFFAOYSA-N",394816,NA,"PDBC10411","698618","Present",NA,NA
+"10412","1-[2-(4-Methoxyphenyl)-1,3-dithian-2-yl]propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(4-Methoxyphenyl)-1,3-dithian-2-yl]propan-2-ol",NA,"CC(CC1(SCCCS1)C2=CC=C(C=C2)OC)O","ILXQJYPVLUIEPR-UHFFFAOYSA-N",496467,NA,"PDBC10412","689730","Present",NA,NA
+"10413","1-[2-(4-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(4-Methoxyphenyl)ethyl]-4-(3-phenylpropyl)piperazine ethanedioate",NA,"COC1=CC=C(C=C1)CCN2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O","YBMDUTOVGCTGRX-UHFFFAOYSA-N",401828,NA,"PDBC10413","715544","Present",NA,NA
+"10414","1-[2-(4-Methoxyphenyl)ethyl]-5-methylpyrazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667060",NA,"CC1=CC=NN1CCC2=CC=C(C=C2)OC.Cl","NROQMUXEKSRWTQ-UHFFFAOYSA-N",381040,NA,"PDBC10414","667060","Present",NA,NA
+"10415","1-[2-(4-Methoxyphenyl)ethyl]benzimidazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659334",NA,"COC1=CC=C(C=C1)CCN2C=NC3=CC=CC=C32.Cl","YWRCNPONHGSWPL-UHFFFAOYSA-N",377742,NA,"PDBC10415","659334","Present",NA,NA
+"10416","1-[2-(4-Nitrophenyl)-2-oxoethyl]-4-pentylpyridin-1-ium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(4-Nitrophenyl)-2-oxoethyl]-4-pentylpyridin-1-ium bromide",NA,"CCCCCC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-]","PTQWFSQVOFQVCI-UHFFFAOYSA-M",24181037,NA,"PDBC10416","4290","Present",NA,NA
+"10417","1-[2-(Benzenesulfonyl)ethyl]-2,3-bis(phenylsulfanyl)indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(Benzenesulfonyl)ethyl]-2,3-bis(phenylsulfanyl)indole",NA,"C1=CC=C(C=C1)SC2=C(N(C3=CC=CC=C32)CCS(=O)(=O)C4=CC=CC=C4)SC5=CC=CC=C5","ZNAPVRQWZKVINK-UHFFFAOYSA-N",379534,NA,"PDBC10417","664207","Present",NA,NA
+"10418","1-[2-(Diethylamino)ethyl-methylamino]-4-(hydroxymethyl)-10-oxothioxanthen-9-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(Diethylamino)ethyl-methylamino]-4-(hydroxymethyl)-10-oxothioxanthen-9-one;hydrochloride",NA,"CCN(CC)CCN(C)C1=C2C(=C(C=C1)CO)S(=O)C3=CC=CC=C3C2=O.Cl","AFPTYEFJXGSOAD-UHFFFAOYSA-N",54604257,NA,"PDBC10418","166382","Present",NA,NA
+"10419","1-[2-(Diethylamino)ethyl]-1H-pyrazolo[3,4-b]quinoxalin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(Diethylamino)ethyl]-1H-pyrazolo[3,4-b]quinoxalin-3-amine",NA,"CCN(CC)CCN1C2=NC3=CC=CC=C3N=C2C(=N1)N","QGLAXCCABAOQII-UHFFFAOYSA-N",392853,NA,"PDBC10419","693865","Present",NA,NA
+"10420","1-[2-(Dimethylamino)-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(Dimethylamino)-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxamide",NA,"CN(C)C(CC1=CN=CN1)C(=O)N2CCCC2C(=O)N","NEVJDESVKGOUIA-UHFFFAOYSA-N",381830,NA,"PDBC10420","668903","Present",NA,NA
+"10421","1-[2-(Dimethylamino)ethoxy]anthracene-9,10-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC300580",NA,"CN(C)CCOC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O.Cl","UVHZUOPOKJJJDG-UHFFFAOYSA-N",12509074,NA,"PDBC10421","300580","Present",NA,NA
+"10422","1-[2-(Dimethylamino)ethyl]-6,7-dimethylpyrazolo[4,3-b]quinoxalin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Dimethylaminoethyl)-6,7-dimethyl-pyrazolo[5,4-b]quinoxalin-3-amine",NA,"CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3CCN(C)C)N","JASQKAADVTZUEX-UHFFFAOYSA-N",395807,NA,"PDBC10422","700695","Present",NA,NA
+"10423","1-[2-(Dimethylamino)ethylamino]-4-methylthioxanthen-9-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioxanthen-9-one, 1-(2-dimethylaminoethylamino)-4-methy...",NA,"CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=CC=CC=C3S2.Cl","GNWUNJZINNJKDO-UHFFFAOYSA-N",21144189,NA,"PDBC10423","37374","Present",NA,NA
+"10424","1-[2-(Dimethylamino)ethylamino]-4-nitrothioxanthen-9-one;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioxanthen-9-one, 1-(2-dimethylaminoethylamino)-4-nitro...",NA,"CN(C)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]","AYTRJONFOQGXKE-UHFFFAOYSA-M",24186124,NA,"PDBC10424","46085","Present",NA,NA
+"10425","1-[2-(Dimethylamino)ethylamino]-7-methoxythioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LXACNBOGQYSBSG-UHFFFAOYSA-N",NA,"CN(C)CCNC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)OC","LXACNBOGQYSBSG-UHFFFAOYSA-N",341816,NA,"PDBC10425","375387","Present",NA,NA
+"10426","1-[2-(Dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-methoxy-9,10-dihydroacridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-methoxy-9,10-dihydroacridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(Dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-7-methoxy-9,10-dihydroacridine-4-carbonyl]amino]propyl-methylamino]propyl]-7-methoxy-9,10-dihydroacridine-4-carboxamide",NA,"CN(C)CCNC1=C2CC3=C(C=CC(=C3)OC)NC2=C(C=C1)C(=O)NCCCN(C)CCCNC(=O)C4=C5C(=C(C=C4)NCCN(C)C)CC6=C(N5)C=CC(=C6)OC","CGUFLBUZZYSGMH-UHFFFAOYSA-N",399636,NA,"PDBC10426","710553","Present",NA,NA
+"10427","1-[2-(Dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-9-oxo-10H-acridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(Dimethylamino)ethylamino]-N-[3-[3-[[1-[2-(dimethylamino)ethylamino]-9-oxo-10H-acridine-4-carbonyl]amino]propyl-methylamino]propyl]-9-oxo-10H-acridine-4-carboxamide;hydrochloride",NA,"CN(C)CCNC1=C2C(=C(C=C1)C(=O)NCCCN(C)CCCNC(=O)C3=C4C(=C(C=C3)NCCN(C)C)C(=O)C5=CC=CC=C5N4)NC6=CC=CC=C6C2=O.Cl","LQZMYEHNMQMVEW-UHFFFAOYSA-N",439097,NA,"PDBC10427","720689","Present",NA,NA
+"10428","1-[2-(Diphenylphosphorylamino)phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(Diphenylphosphorylamino)phenyl]ethanone",NA,"CC(=O)C1=CC=CC=C1NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","LLKPWELELQATEW-UHFFFAOYSA-N",403938,NA,"PDBC10428","719704","Present",NA,NA
+"10429","1-[2-(Ethoxycarbonyl)ethyl]-2-oxocyclohexanecarboxylic acid (1R)-5beta-methyl-2alpha-(1-methylethyl)cyclohexane-1beta-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,2s,5r)-5-Methyl-2-(1-methylethyl)cyclohexyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclohexanecarboxylate",NA,"CCOC(=O)CCC1(CCCCC1=O)C(=O)OC2CC(CCC2C(C)C)C","HBKXRCXWZIRPJP-XVSHDKDLSA-N",401394,NA,"PDBC10429","714895","Present",NA,NA
+"10430","1-[2-(Ethylamino)ethylamino]-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((2-(ethylamino)ethyl)amino)-3-(4-(trifluoromethyl)phe...",NA,"CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)C(F)(F)F","HQUPLQWCGPBPRZ-UHFFFAOYSA-N",53361220,NA,"PDBC10430","782940","Present",NA,NA
+"10431","1-[2-(Trifluoromethyl)phenyl]-3,9-dihydro-1H-[1,3]thiazolo[4,3-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(Trifluoromethyl)phenyl]-3,9-dihydro-1h-thiazolo[4,3-b]quinazoline",NA,"C1C2=CC=CC=C2N=C3N1C(SC3)C4=CC=CC=C4C(F)(F)F","UIUTUUHQASDMSE-UHFFFAOYSA-N",395897,NA,"PDBC10431","700992","Present",NA,NA
+"10432","1-[2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)benzenes ulfonyl]-3-(2-hydroxyphenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)benz...",NA,"C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)N=C(N)NC4=CC=CC=C4O","ABEGYZMDLDGKLG-UHFFFAOYSA-N",24205038,NA,"PDBC10432","734059","Present",NA,NA
+"10433","1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[3-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea",NA,"C1=CC(=CC(=C1)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl","IKMXRDUWNLKSBD-UHFFFAOYSA-N",340699,NA,"PDBC10433","371722","Present",NA,NA
+"10434","1-[2-Ethoxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Ethoxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]pyrimidine-2,4-dione",NA,"CCOC1C(CC(C(O1)CO)O)N2C=CC(=O)NC2=O","SOQXBYPSWNTGDD-UHFFFAOYSA-N",395156,NA,"PDBC10434","699456","Present",NA,NA
+"10435","1-[2-Fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-(1H-indazol-3-y...",NA,"C1=CC=C2C(=C1)C(=NN2)NC(=O)NC3=C(C=CC(=C3)C(F)(F)F)F","OQNGGPLHATVXAM-UHFFFAOYSA-N",25197520,NA,"PDBC10435","742796","Present",NA,NA
+"10436","1-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,5,7-trimethyl-6-phenyl-pyrrolo[3,4-d]pyridazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]-3,5,7-trimethyl-6-phenylpyrrolo[3,4-d]pyridazin-4-one",NA,"CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(N=C2OCC(CN4CCN(CC4)C5=CC=CC=C5)O)C","LZILRVVNLIBKFM-UHFFFAOYSA-N",401028,NA,"PDBC10436","713733","Present",NA,NA
+"10437","1-[2-Hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-N,N-dimethylmethanamine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Dimethylnitroryl)methyl]-4-(2,4,4-trimethylpentan-2-yl)phenol",NA,"CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)C[N+](C)(C)[O-]","JLMGNCQHXBKNML-UHFFFAOYSA-N",223186,NA,"PDBC10437","10572","Present",NA,NA
+"10438","1-[2-Methyl-3-(m-tolyl)-4-oxo-quinazolin-6-yl]-3-phenyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Methyl-3-(m-tolyl)-4-oxo-quinazolin-6-yl]-3-phenyl-thiourea",NA,"CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C=C(C=C3)NC(=S)NC4=CC=CC=C4)C","JVYHRFMEJWAETM-UHFFFAOYSA-N",3005172,NA,"PDBC10438","679220","Present",NA,NA
+"10439","1-[2-Oxo-2-(4-chlorophenyl)ethyl]-2-ethyl-1H-pyrrolo[1,2-c]imidazole-3(2H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Oxo-2-(4-chlorophenyl)ethyl]-2-ethyl-1H-pyrrolo[1,2-c]imidazole-3(2H)-thione",NA,"CCN1C(C2=CC=CN2C1=S)CC(=O)C3=CC=C(C=C3)Cl","VIZFXTAZCFOHAF-UHFFFAOYSA-N",400006,NA,"PDBC10439","711188","Present",NA,NA
+"10440","1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-4-imino-pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-4-imino-pyrimidin-2-one",NA,"CC1=CC(=C(C=C1)C)COCCOCN2C=CC(=NC2=O)N","SAVJATQOMYEVNA-UHFFFAOYSA-N",395257,NA,"PDBC10440","699735","Present",NA,NA
+"10441","1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-5-morpholino-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(2,5-Dimethylphenyl)methoxy]ethoxymethyl]-5-morpholino-pyrimidine-2,4-dione",NA,"CC1=CC(=C(C=C1)C)COCCOCN2C=C(C(=O)NC2=O)N3CCOCC3","IEODPWZMNKFAIE-UHFFFAOYSA-N",395259,NA,"PDBC10441","699737","Present",NA,NA
+"10442","1-[2-[(2-Hydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(2-Hydroxyphenyl)methylideneamino]ethylamino]anthracene-9,10-dione",NA,"C1=CC=C(C(=C1)C=NCCNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O)O","DFCMWYCTOPERLY-UHFFFAOYSA-N",135958487,NA,"PDBC10442","745500","Present",NA,NA
+"10443","1-[2-[(2-Methoxyacridin-9-yl)amino]ethylamino]propan-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(2-Methoxyacridin-9-yl)amino]ethylamino]propan-2-ol;hydrochloride",NA,"CC(CNCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)O.Cl","YXFRMZDXQIXPRL-UHFFFAOYSA-N",54609322,NA,"PDBC10443","14073","Present",NA,NA
+"10444","1-[2-[(6-Chloro-2-methoxy-acridin-9-yl)amino]ethylamino]propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethylamino]propan-2-ol;hydrochloride",NA,"CC(CNCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)O.Cl","MEBXOTMJQCVHEK-UHFFFAOYSA-N",24182154,NA,"PDBC10444","14072","Present",NA,NA
+"10445","1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]piperidine",NA,"CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)COCCN3CCCCC3","MWWWIYIITXUMNM-UHFFFAOYSA-N",380197,NA,"PDBC10445","665659","Present",NA,NA
+"10446","1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methoxy]ethyl]pyrrolidine",NA,"CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)COCCN3CCCC3","WEGNROODOZCARP-UHFFFAOYSA-N",380198,NA,"PDBC10446","665661","Present",NA,NA
+"10447","1-[2-[(E)-3-[2-(5,6-Diphenyl-4,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-allyl]sulfanylphenyl]-3-phenyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylphenyl]-3-phenylthiourea",NA,"C1=CC=C(C=C1)C2C(=NNC(=N2)NNC=CC(C3=CC=CC=C3)SC4=CC=CC=C4NC(=S)NC5=CC=CC=C5)C6=CC=CC=C6","ZJUYMFOFJRHRBN-OCEACIFDSA-N",5924617,NA,"PDBC10447","640632","Present",NA,NA
+"10448","1-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]propan-2-ol",NA,"CCCCCCCCC=CCCCCCCCC1=NC(CN1CC(C)O)(C)C","PDSMFQXAJKQIOL-OUKQBFOZSA-N",5354710,NA,"PDBC10448","17759","Present",NA,NA
+"10449","1-[2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]pyrrolidin-2-one",NA,"CSC1=CC=CC=C1C#CC=CC#CC2=CC=CC=C2N3CCCC3=O","AGWLYCRMGHXGFZ-IHWYPQMZSA-N",45028782,NA,"PDBC10449","744170","Present",NA,NA
+"10450","1-[2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]piperidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]piperidin-2-one",NA,"C1CCN(C(=O)C1)C2=CC=CC=C2C#CC=CC#CC3=CC=CC=C3C(F)(F)F","CDHWFOMAUSEMLA-UPHRSURJSA-N",24205406,NA,"PDBC10450","735435","Present",NA,NA
+"10451","1-[2-[1-[2,2-Dimethyl-6-(2-undecoxyethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy]ethyl]pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[1-[2,2-Dimethyl-6-(2-undecoxyethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethoxy]ethyl]pyrrolidine",NA,"CCCCCCCCCCCOCCC1C2C(OC1C(C)OCCN3CCCC3)OC(O2)(C)C","VMTBRZJXPPDZHJ-UHFFFAOYSA-N",380196,NA,"PDBC10451","665640","Present",NA,NA
+"10452","1-[2-[2,5-Dioxo-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[2,5-dioxo-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione",NA,"C1C(=O)N(CC(=O)N1CCN2CC(=O)N(CC2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC(=C4)C(F)(F)F","PAUMLIPRWJWMSM-UHFFFAOYSA-N",376332,NA,"PDBC10452","657164","Present",NA,NA
+"10453","1-[2-[2-(Chloromethyl)phenyl]ethyl]-5-nitro-2H-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[2-(Chloromethyl)phenyl]ethyl]-5-nitro-2H-indazol-3-one",NA,"C1=CC=C(C(=C1)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)CCl","WLNDXQBEGWXQJH-UHFFFAOYSA-N",383720,NA,"PDBC10453","672149","Present",NA,NA
+"10454","1-[2-[2-Cyanoethyl(methylcarbamoyl)amino]ethyl]-3,3-dimethyl-1-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[2-Cyanoethyl(methylcarbamoyl)amino]ethyl]-3,3-dimethyl-1-phenyl-urea",NA,"CNC(=O)N(CCC#N)CCN(C1=CC=CC=C1)C(=O)N(C)C","GISRQPMLTCCBIW-UHFFFAOYSA-N",390713,NA,"PDBC10454","688355","Present",NA,NA
+"10455","1-[2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethylamino]ethyl]-4-(tritylamino)pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethylamino]ethyl]-4-(tritylamino)pyrimidin-2-one",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCNCCN5C=CC(=NC5=O)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","YHURRSCVZIYTJY-UHFFFAOYSA-N",368678,NA,"PDBC10455","639796","Present",NA,NA
+"10456","1-[2-[4-(Hydroxymethyl)piperidin-1-yl]-4-pyridin-3-ylphenyl]-3-(4-methylphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-(4-(hydroxymethyl)piperidin-1-yl)-4-(pyridin-3-yl)p...",NA,"CC1=CC=C(C=C1)NC(=O)NC2=C(C=C(C=C2)C3=CN=CC=C3)N4CCC(CC4)CO","UUPFQQIDFGWVGY-UHFFFAOYSA-N",155811885,NA,"PDBC10456","781358","Present",NA,NA
+"10457","1-[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]-2,4,6-trimethylpyridin-1-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]-2,4,6-trimethylpyridin-1-ium;perchlorate",NA,"CC1=CC(=[N+](C(=C1)C)CCOC2=CC=C(C=C2)C(=C(C3=CC=CC=C3)Cl)C4=CC=CC=C4)C.[O-]Cl(=O)(=O)=O","RVKSVTNBTDRXHT-BXGDTPBJSA-M",24202368,NA,"PDBC10457","644614","Present",NA,NA
+"10458","1-[2-[4-[2-(4,6-Dioxo-3-phenyl-2-thioxo-hexahydropyrimidin-1-yl)-2-oxo-ethoxy]phenoxy]acetyl]-3-phenyl-2-thioxo-hexahydropyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[4-[2-(4,6-Dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)-2-oxoethoxy]phenoxy]acetyl]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"C1C(=O)N(C(=S)N(C1=O)C(=O)COC2=CC=C(C=C2)OCC(=O)N3C(=O)CC(=O)N(C3=S)C4=CC=CC=C4)C5=CC=CC=C5","YBSIFJGRQULWCB-UHFFFAOYSA-N",394033,NA,"PDBC10458","697151","Present",NA,NA
+"10459","1-[2-[5-[(Z)-N-Hydroxy-C-methyl-carbonimidoyl]-4-methyl-thiazol-2-yl]-4-methyl-thiazol-5-yl]ethanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-N-[1-[2-[5-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylidene]hydroxylamine",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=NO)C)C)C(=NO)C","CGLXPXSSJZXUCA-DUGOVBPYSA-N",135499174,NA,"PDBC10459","642072","Present",NA,NA
+"10460","1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-chloropropyl)piperazine;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-chloropropyl)piperazine;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCCCl)CCOC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C(=CC(=O)O)C(=O)O","UDJZLYCFTPNQAC-BTJKTKAUSA-N",5471947,NA,"PDBC10460","715545","Present",NA,NA
+"10461","1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine;methanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-(3-phenylpropyl)piperazine; methanesulfonic acid",NA,"CS(=O)(=O)O.C1CN(CCN1CCCC2=CC=CC=C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F","FNGLMCGAZAMSHH-UHFFFAOYSA-N",398111,NA,"PDBC10461","707476","Present",NA,NA
+"10462","1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-[(6-methoxy-3,4-dihydronaphthalen-2-yl)methyl]piperazine;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-4-[(6-methoxy-3,4-dihydronaphthalen-2-yl)methyl]piperazine;(Z)-but-2-enedioic acid",NA,"COC1=CC2=C(C=C1)C=C(CC2)CN3CCN(CC3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=CC(=O)O)C(=O)O","QBQSCRAIVFFMQB-BTJKTKAUSA-N",5471959,NA,"PDBC10462","715594","Present",NA,NA
+"10463","1-[2-[Bis(dimethylamino)phosphoryloxy]furan-3-yl]-2-phenylethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Bis(dimethylamino)phosphoryloxy-3-furyl]-2-phenyl-ethanol",NA,"CN(C)P(=O)(N(C)C)OC1=C(C=CO1)C(CC2=CC=CC=C2)O","MKIXDIVUQWOFLX-UHFFFAOYSA-N",395710,NA,"PDBC10463","700508","Present",NA,NA
+"10464","1-[2-[Tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-fluoropyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[Tert-butyl(dimethyl)silyl]oxyethoxymethyl]-5-fluoro-pyrimidine-2,4-dione",NA,"CC(C)(C)[Si](C)(C)OCCOCN1C=C(C(=O)NC1=O)F","MHLBLQMZBGWJEU-UHFFFAOYSA-N",388210,NA,"PDBC10464","682804","Present",NA,NA
+"10465","1-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[[4-Amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[[4-Amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-3-methylbutanoy",NA,"CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)CN","WARBRZOAJGBLCA-UHFFFAOYSA-N",383813,NA,"PDBC10465","672428","Present",NA,NA
+"10466","1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-Acetamido-3-naphthalen-2-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]-N-(1-amino-1-oxopropan-2-yl)pyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-Acetamido-3-naphthalen-2-ylpropanoyl)amino]-3-(4-chlorophenyl)propanoyl]amino]-3-pyridin-3-ylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]am",NA,"CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C","VJLZJDCIXSLXBU-UHFFFAOYSA-N",16130063,NA,"PDBC10466","373964","Present",NA,NA
+"10467","1-[3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,4,4-Trichloro-2-nitro-1-(1,2,4-triazol-1-yl)buta-1,3-dienyl]-1,2,4-triazole",NA,"C1=NN(C=N1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C=NC=N2","TUFXQSAGLVXWKV-UHFFFAOYSA-N",394721,NA,"PDBC10467","698389","Present",NA,NA
+"10468","1-[3,4-Di(tetrahydropyran-2-yloxy)-5-(tetrahydropyran-2-yloxymethyl)tetrahydrofuran-2-yl]-3-phenyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,4-Bis(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]-3-phenylpyrimidine-2,4-dione",NA,"C1CCOC(C1)OCC2C(C(C(O2)N3C=CC(=O)N(C3=O)C4=CC=CC=C4)OC5CCCCO5)OC6CCCCO6","YBQVRHHWTGXDDA-UHFFFAOYSA-N",389071,NA,"PDBC10468","684710","Present",NA,NA
+"10469","1-[3,4-Difluorophenyl]-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Difluorophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=C(C=C4)F)F","RXSLHEFJEDSTSE-UHFFFAOYSA-N",362682,NA,"PDBC10469","626913","Present",NA,NA
+"10470","1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(4-phenylpiperazin-1-yl)pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(4-phenylpiperazin-1-yl)pyrimidin-2-one",NA,"C1CN(CCN1C2=CC=CC=C2)C3=NC(=O)N(C=C3)C4C(C(C(O4)CO)O)O","VXFVTAAJVXETCQ-UHFFFAOYSA-N",401211,NA,"PDBC10470","714415","Present",NA,NA
+"10471","1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-methoxyphenyl)methylamino]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-[(4-methoxyphenyl)methylamino]pyrimidin-2-one",NA,"COC1=CC=C(C=C1)CNC2=NC(=O)N(C=C2)C3C(C(C(O3)CO)O)O","GUCJRNZJUJWJEM-UHFFFAOYSA-N",401207,NA,"PDBC10471","714411","Present",NA,NA
+"10472","1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-6-(4-phenylphenyl)pteridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-6-(4-phenylphenyl)pteridin-2-one",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C4C(=N3)C(=NC(=O)N4C5C(C(C(O5)CO)O)O)N","ATCVFVUEODILGB-UHFFFAOYSA-N",387287,NA,"PDBC10472","680981","Present",NA,NA
+"10473","1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-formamido-imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-formamido-imidazole-4-carboxamide",NA,"C1=NC(=C(N1C2C(C(C(O2)CO)O)O)NC=O)C(=O)N","MWNOGKUSFKSGJC-UHFFFAOYSA-N",386058,NA,"PDBC10473","677627","Present",NA,NA
+"10474","1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-(4-phenylphenyl)pteridine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pteridinedione, 6-[1,1'-biphenyl]-4-yl-1-pentofuranosyl-",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C4C(=N3)C(=O)NC(=O)N4C5C(C(C(O5)CO)O)O","ROBMVFWDYLGFQA-UHFFFAOYSA-N",387286,NA,"PDBC10474","680980","Present",NA,NA
+"10475","1-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-(4-phenylphenyl)pteridine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pteridinedione, 7-[1,1'-biphenyl]-4-yl-1-pentofuranosyl-",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CN=C4C(=O)NC(=O)N(C4=N3)C5C(C(C(O5)CO)O)O","IUMAVLBFWDFTEU-UHFFFAOYSA-N",387288,NA,"PDBC10475","680982","Present",NA,NA
+"10476","1-[3,5-Bis(trifluoromethyl)phenyl]-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-bis(trifluoromethyl)phenyl)-3-(4-(3,4,5-trimethox...",NA,"COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","YKVVBPWDDSWDMW-UHFFFAOYSA-N",155807613,NA,"PDBC10476","785509","Present",NA,NA
+"10477","1-[3,5-Bis(trifluoromethyl)phenyl]-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-bis(trifluoromethyl)phenyl)-3-(6-(2-methoxyphenyl...",NA,"COC1=CC=CC=C1C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","PGFNZIZMCRBMPC-UHFFFAOYSA-N",155813800,NA,"PDBC10477","795906","Present",NA,NA
+"10478","1-[3,5-Dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonyl-3,5-dimethylpiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,5-Dichloro-4-(2-chloro-4-nitrophenoxy)phenylsulfony...",NA,"CC1CC(CN(C1)S(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)C","XOSKWIQVQQMVBP-UHFFFAOYSA-N",341155,NA,"PDBC10478","372768","Present",NA,NA
+"10479","1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-3-(butylamino)propan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-3-(butylamino)propan-1-ol;hydrochloride",NA,"CCCCNCCC(C1=C2C=CC(=CC2=C3C=C(C=CC3=C1)C(F)(F)F)C(F)(F)F)O.Cl","KYMOVPODVRXVEL-UHFFFAOYSA-N",24198830,NA,"PDBC10479","305792","Present",NA,NA
+"10480","1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-3-(dibutylamino)propan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,6-Bis(trifluoromethyl)phenanthren-9-yl]-3-(dibutylamino)propan-1-ol;hydrochloride",NA,"CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=CC3=C1)C(F)(F)F)C(F)(F)F)O.Cl","WCLYIHMDTBEZNJ-UHFFFAOYSA-N",24198825,NA,"PDBC10480","305786","Present",NA,NA
+"10481","1-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)phenyl]ethanone",NA,"CC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4","PVLNEWIAIWAZIZ-UHFFFAOYSA-N",404609,NA,"PDBC10481","721037","Present",NA,NA
+"10482","1-[3-(2,4-Dichlorophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(2,4-Dichlorophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)Cl)Cl","GCCHRPNOUMSBKA-UHFFFAOYSA-N",390447,NA,"PDBC10482","687801","Present",NA,NA
+"10483","1-[3-(2,5-Dichlorophenyl)sulfanylpropyl]piperazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC10777",NA,"C1CN(CCN1)CCCSC2=C(C=CC(=C2)Cl)Cl.Cl","YGMSHKYSIZQLAT-UHFFFAOYSA-N",24181698,NA,"PDBC10483","10777","Present",NA,NA
+"10484","1-[3-(2-Hydroxyethyl)-2,2-dimethylcyclobutyl]-5-iodopyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(2-Hydroxyethyl)-2,2-dimethyl-cyclobutyl]-5-iodo-pyrimidine-2,4-dione",NA,"CC1(C(CC1N2C=C(C(=O)NC2=O)I)CCO)C","DRBOQKCNOATNDI-UHFFFAOYSA-N",395603,NA,"PDBC10484","700348","Present",NA,NA
+"10485","1-[3-(2-Hydroxyethyl)-2,2-dimethylcyclobutyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(2-Hydroxyethyl)-2,2-dimethyl-cyclobutyl]pyrimidine-2,4-dione",NA,"CC1(C(CC1N2C=CC(=O)NC2=O)CCO)C","VGTUOOXWIVLHSR-UHFFFAOYSA-N",395602,NA,"PDBC10485","700347","Present",NA,NA
+"10486","1-[3-(3,4-Dimethoxyphenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(3,4-Dimethoxyphenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol",NA,"COC1=C(C=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C=CC5=CC=CC=C54)O)OC","PAVDIAZJLWDSLA-UHFFFAOYSA-N",390439,NA,"PDBC10486","687793","Present",NA,NA
+"10487","1-[3-(3,4-Dimethoxyphenyl)-5-(2-hydroxy-1-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Acetyl-5-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)-2-naphthol",NA,"CC(=O)N1C(CC(=N1)C2=C(C=CC3=CC=CC=C32)O)C4=CC(=C(C=C4)OC)OC","AJPOORVEBHHPGL-UHFFFAOYSA-N",390436,NA,"PDBC10487","687790","Present",NA,NA
+"10488","1-[3-(3-Chlorophenyl)-5-(2-hydroxy-5-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(3-Chlorophenyl)-5-(2-hydroxy-5-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC1=CC(=C(C=C1)O)C2=NN(C(C2)C3=CC(=CC=C3)Cl)C(=O)C","RKUPKGFKRMZJPM-UHFFFAOYSA-N",403635,NA,"PDBC10488","718703","Present",NA,NA
+"10489","1-[3-(3-Nitrophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(3-Nitrophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone",NA,"C1=CC=C(C=C1)P(=CC(=O)C2=CC=CC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5","CNEMQZOFUYUAJM-UHFFFAOYSA-N",403922,NA,"PDBC10489","719649","Present",NA,NA
+"10490","1-[3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanoylamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanoylamino]guanidine",NA,"C(CN1C(=O)C(=C(C(=O)N1)Cl)Cl)C(=O)NN=C(N)N","WHDSXBVIZVRFSK-UHFFFAOYSA-N",364795,NA,"PDBC10490","631554","Present",NA,NA
+"10491","1-[3-(4-Bromoanilino)-5-methyl-1,2-oxazolidin-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{3-[(4-Bromophenyl)amino]-5-methyl-1,2-oxazolidin-2-yl}ethanone",NA,"CC1CC(N(O1)C(=O)C)NC2=CC=C(C=C2)Br","VMOBFJZZRBPCOR-UHFFFAOYSA-N",377011,NA,"PDBC10491","658229","Present",NA,NA
+"10492","1-[3-(4-Chlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(4-Chlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-2-ol",NA,"C1C(N(N=C1C2=C(C=CC3=CC=CC=C32)O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=C(C=C5)Cl","ZORWRFJHNOZPGZ-UHFFFAOYSA-N",390440,NA,"PDBC10492","687794","Present",NA,NA
+"10493","1-[3-(4-Dimethylaminophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(4-Dimethylaminophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C4=CC=C(C=C4)N(C)C","YTSPBKYGASVAOK-UHFFFAOYSA-N",390450,NA,"PDBC10493","687804","Present",NA,NA
+"10494","1-[3-(4-Fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(4-Fluorophenyl)-5-(4-methylsulfanylphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(C=C3)F","YTXPSXPDRDNSJL-UHFFFAOYSA-N",11709663,NA,"PDBC10494","736162","Present",NA,NA
+"10495","1-[3-(4-Methoxyphenyl)-2-methyl-4-oxo-quinazolin-6-yl]-3-phenyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(4-Methoxyphenyl)-2-methyl-4-oxo-quinazolin-6-yl]-3-phenyl-thiourea",NA,"CC1=NC2=C(C=C(C=C2)NC(=S)NC3=CC=CC=C3)C(=O)N1C4=CC=C(C=C4)OC","LTTLKYDRFFFUAB-UHFFFAOYSA-N",3005173,NA,"PDBC10495","679222","Present",NA,NA
+"10496","1-[3-(6-Aminopurin-9-yl)-2,3-dihydrofuran-2-yl]-2,2-dimethoxy-ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(6-Aminopurin-9-yl)-2,3-dihydrofuran-2-yl]-2,2-dimethoxy-ethanol",NA,"COC(C(C1C(C=CO1)N2C=NC3=C(N=CN=C32)N)O)OC","ZCFFUWUNYKSYAL-UHFFFAOYSA-N",393724,NA,"PDBC10496","696242","Present",NA,NA
+"10497","1-[3-(Benzenesulfonyl)-3-diazo-2-oxo-propyl]pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Diazonio-3-(2-oxopyrrolidin-1-yl)-1-(phenylsulfonyl)prop-1-en-2-olate",NA,"C1CC(=O)N(C1)CC(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2","GMKSEPSFZTUICR-UHFFFAOYSA-N",373306,NA,"PDBC10497","649453","Present",NA,NA
+"10498","1-[3-(Benzotriazol-1-ylmethylamino)phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Benzotriazol-1-ylmethylamino)phenyl]ethanone",NA,"CC(=O)C1=CC(=CC=C1)NCN2C3=CC=CC=C3N=N2","NCTNTDGWEHZVJS-UHFFFAOYSA-N",374217,NA,"PDBC10498","651707","Present",NA,NA
+"10499","1-[3-(Benzyloxymethyl)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]isoxazolidin-5-yl]-5-methyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-3-(phenylmethoxymethyl)-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(N(O2)CCO[Si](C)(C)C(C)(C)C)COCC3=CC=CC=C3","RLOKZRNNBSSAFD-UHFFFAOYSA-N",392544,NA,"PDBC10499","693087","Present",NA,NA
+"10500","1-[3-(Chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-2-[[2-[3-(chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-2-oxoethyl]-methylamino]ethanone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-2-[[2-[3-(chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-2-oxoethyl]-methylamino]ethanone;hydrochloride",NA,"CN(CC(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])CCl)CC(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl.Cl","BSCOPYYUGUUWAQ-UHFFFAOYSA-N",393066,NA,"PDBC10500","694453","Present",NA,NA
+"10501","1-[3-(Diethylamino)propylamino]-4-methyl-5H-pyridazino[4,5-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Diethylamino)propylamino]-4-methyl-5H-pyridazino[4...",NA,"CCN(CC)CCCNC1=C2C3=CC=CC=C3NC2=C(N=N1)C.Cl","DFZIHUAJYDGKTI-UHFFFAOYSA-N",5471483,NA,"PDBC10501","711659","Present",NA,NA
+"10502","1-[3-(Dimethylamino)-2-hydroxypropyl]-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Dimethylamino)-2-hydroxypropyl]-3-phenylurea",NA,"CN(C)CC(CNC(=O)NC1=CC=CC=C1)O","FBXABFFPOOYRTE-UHFFFAOYSA-N",389389,NA,"PDBC10502","685455","Present",NA,NA
+"10503","1-[3-(Dimethylamino)-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Dimethylamino)-4aH-[1,3,4]thiadiazino[6,5-b]indol-5-yl]ethanone",NA,"CC(=O)N1C2C(=NN=C(S2)N(C)C)C3=CC=CC=C31","PTFUMXCUPXYNJH-UHFFFAOYSA-N",384013,NA,"PDBC10503","673117","Present",NA,NA
+"10504","1-[3-(Dimethylamino)propyl]-3-[(E)-(4-nitrophenyl)methylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Dimethylamino)propyl]-3-[(E)-(4-nitrophenyl)methylideneamino]urea",NA,"CN(C)CCCNC(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-]","ALBJHBXGNYENRV-XNTDXEJSSA-N",10334578,NA,"PDBC10504","666460","Present",NA,NA
+"10505","1-[3-(Dimethylamino)propyl]-3-[(E)-pyridin-2-ylmethylideneamino]urea;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Dimethylamino)propyl]-3-[(E)-pyridin-2-ylmethylideneamino]urea;hydrochloride",NA,"CN(C)CCCNC(=O)NN=CC1=CC=CC=N1.Cl","QZJVOVPJENIZTF-GYVLLFFHSA-N",9554133,NA,"PDBC10505","662264","Present",NA,NA
+"10506","1-[3-(Dimethylamino)propyl]-6,7-dimethyl-1H-pyrazolo[3,4-b]quinoxalin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Dimethylaminopropyl)-6,7-dimethyl-pyrazolo[5,4-b]quinoxalin-3-amine",NA,"CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3CCCN(C)C)N","VBLQZMJDNYEZPR-UHFFFAOYSA-N",395036,NA,"PDBC10506","699220","Present",NA,NA
+"10507","1-[3-(Furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Furo[2,3-b]quinolin-4-ylamino)phenyl]ethanone",NA,"CC(=O)C1=CC(=CC=C1)NC2=C3C=COC3=NC4=CC=CC=C42","JFBYYKNJECRFJQ-UHFFFAOYSA-N",404356,NA,"PDBC10507","720558","Present",NA,NA
+"10508","1-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone",NA,"CC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","VAGPVTFGSRSZQL-UHFFFAOYSA-N",404362,NA,"PDBC10508","720564","Present",NA,NA
+"10509","1-[3-(Hydroxymethyl)-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Hydroxymethyl)-1,3,4,4a,9,9a-hexahydropyrido[3,4-b]indol-2-yl]ethanone",NA,"CC(=O)N1CC2C(CC1CO)C3=CC=CC=C3N2","LBSAJVDAJJQVTR-UHFFFAOYSA-N",364138,NA,"PDBC10509","629810","Present",NA,NA
+"10510","1-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole",NA,"C1COC(C1C(Cl)(Cl)Cl)N2C3=CC=CC=C3N=N2","AZWFGWXLPYOQGI-UHFFFAOYSA-N",388083,NA,"PDBC10510","682546","Present",NA,NA
+"10511","1-[3-Amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-Amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidine-2,4-dione",NA,"C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)N)F","FFQIVMIMSJNARO-UHFFFAOYSA-N",363725,NA,"PDBC10511","628903","Present",NA,NA
+"10512","1-[3-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4-...",NA,"C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C4C(=N3)C(=NN4C5=CC(=CC=C5)Cl)C(=O)C6=CC=CC=C6","UWFBSEVCLAEFEN-UHFFFAOYSA-N",45028002,NA,"PDBC10512","740552","Present",NA,NA
+"10513","1-[3-Chloro-4-(2-phenylethyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 1-[3-chloro-4-(2-phenyl...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=CC=CC=C3)Cl)N)N)C","PJALPVZOEKEDNL-UHFFFAOYSA-N",280520,NA,"PDBC10513","132276","Present",NA,NA
+"10514","1-[3-Chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-Chloro-4-(4-phenylbutyl)phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride",NA,"CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC=CC=C3)Cl)N)N)C.Cl","OZKRFLRSUHXGBX-UHFFFAOYSA-N",24191814,NA,"PDBC10514","128184","Present",NA,NA
+"10515","1-[3-Hydroxy-4-[hydroxy-[(4-methoxyphenyl)methyl]amino]-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-Hydroxy-4-[hydroxy-[(4-methoxyphenyl)methyl]amino]-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione",NA,"COC1=CC=C(C=C1)CN(C2C(OC(C2O)N3C=C(C(=O)NC3=O)I)CO)O","VVFLZGHRULDWKL-UHFFFAOYSA-N",375108,NA,"PDBC10515","654223","Present",NA,NA
+"10516","1-[3-Methyl-2-(3-methyl-1H-indol-2-yl)indolin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-Methyl-2-(3-methyl-1H-indol-2-yl)indolin-1-yl]ethanone",NA,"CC1C(N(C2=CC=CC=C12)C(=O)C)C3=C(C4=CC=CC=C4N3)C","GMJDOKYWXPAYTM-UHFFFAOYSA-N",393300,NA,"PDBC10516","694965","Present",NA,NA
+"10517","1-[3-[(2,3-Dimethoxy-6-nitroacridin-9-yl)amino]propylamino]-2-methylpropan-2-ol;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[(2,3-Dimethoxy-6-nitroacridin-9-yl)amino]propylamino]-2-methylpropan-2-ol;chloride",NA,"CC(C)(CNCCCNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O.[Cl-]","VUTWKJOBQDFUAW-UHFFFAOYSA-M",24182209,NA,"PDBC10517","14657","Present",NA,NA
+"10518","1-[3-[(2-Chloro-11H-indolo[3,2-c]quinolin-6-yl)amino]phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{3-[(2-Chloro-11h-indolo[3,2-c]quinolin-6-yl)amino]phenyl}ethanone",NA,"CC(=O)C1=CC(=CC=C1)NC2=NC3=C(C=C(C=C3)Cl)C4=C2C5=CC=CC=C5N4","IFYFXQHQRFCXME-UHFFFAOYSA-N",404610,NA,"PDBC10518","721038","Present",NA,NA
+"10519","1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3-methyl-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3-methyl-pyrrole-2,5-dione",NA,"CC1=CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=C(C=C3)Cl","ZCBVSOCWVLHPNA-UHFFFAOYSA-N",387579,NA,"PDBC10519","681536","Present",NA,NA
+"10520","1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]piperidine-2,6-dione",NA,"C1CC(=O)N(C(=O)C1)N2C(=NNC2=O)CC3=CC=C(C=C3)Cl","MKNUBRSVTXCGKP-UHFFFAOYSA-N",388413,NA,"PDBC10520","683295","Present",NA,NA
+"10521","1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]pyrrolidine-2,5-dione",NA,"C1CC(=O)N(C1=O)N2C(=NNC2=O)CC3=CC=C(C=C3)Cl","YNWQMRNNNYBZPH-UHFFFAOYSA-N",389505,NA,"PDBC10521","685791","Present",NA,NA
+"10522","1-[3-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone",NA,"CC(=O)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","YAFZXMZSXFRLPL-UHFFFAOYSA-N",11675057,NA,"PDBC10522","727485","Present",NA,NA
+"10523","1-[3-[(Z)-[3-(4-Chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propyl]pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[(Z)-[3-(4-Chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]propyl]pyrrolidin-2-one",NA,"C1CC(=O)N(C1)CCCN=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl","YBIOLSSAMULSRT-UHFFFAOYSA-N",362144,NA,"PDBC10523","625732","Present",NA,NA
+"10524","1-[3-[2-Cyanoethyl(methylcarbamoyl)amino]propyl]-3,3-dimethyl-1-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[2-Cyanoethyl(methylcarbamoyl)amino]propyl]-3,3-dimethyl-1-phenyl-urea",NA,"CNC(=O)N(CCCN(C1=CC=CC=C1)C(=O)N(C)C)CCC#N","IOCMFDMGLCPHJK-UHFFFAOYSA-N",390712,NA,"PDBC10524","688354","Present",NA,NA
+"10525","1-[3-[2-Cyanoethyl(phenylcarbamoyl)amino]propyl]-1,3,3-triphenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[2-Cyanoethyl(phenylcarbamoyl)amino]propyl]-1,3,3-triphenyl-urea",NA,"C1=CC=C(C=C1)NC(=O)N(CCCN(C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C4=CC=CC=C4)CCC#N","RKNKSJOBWHUXAA-UHFFFAOYSA-N",393231,NA,"PDBC10525","694858","Present",NA,NA
+"10526","1-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[3-(4-Chlorophenyl)-1-phenylpyrazol-4-yl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5","CHIRQGSMASSQAS-UHFFFAOYSA-N",46912850,NA,"PDBC10526","749646","Present",NA,NA
+"10527","1-[3-[4-(2-Dimethylaminoethyloxy)phenyl]-2-phenyl-indolizin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-(4-(2-(Dimethylamino)ethoxy)phenyl)-2-phenyl-1-indolizinyl)ethanone",NA,"CC(=O)C1=C2C=CC=CN2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)OCCN(C)C","OXHINCBUDCYLRH-UHFFFAOYSA-N",389732,NA,"PDBC10527","686323","Present",NA,NA
+"10528","1-[3-[4-[3-[(9-Oxothioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[4-[3-[(9-Oxothioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one",NA,"C1CN(CCN1CCCNC2=C3C(=CC=C2)SC4=CC=CC=C4C3=O)CCCNC5=C6C(=CC=C5)SC7=CC=CC=C7C6=O","IQTSIYNQGUDMSN-UHFFFAOYSA-N",354499,NA,"PDBC10528","606457","Present",NA,NA
+"10529","1-[3-[6-(Benzenesulfonyl)hex-4-ynoxy]prop-1-ynyl]-2-[3-(benzenesulfonyl)prop-1-ynyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[6-(Benzenesulfonyl)hex-4-ynoxy]prop-1-ynyl]-2-[3-(benzenesulfonyl)prop-1-ynyl]benzene",NA,"C1=CC=C(C=C1)S(=O)(=O)CC#CCCCOCC#CC2=CC=CC=C2C#CCS(=O)(=O)C3=CC=CC=C3","ZHIGRRNZMQIZGY-UHFFFAOYSA-N",24203526,NA,"PDBC10529","728450","Present",NA,NA
+"10530","1-[3-[Bis(4-methoxyphenyl)-phenylmethyl]sulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[Bis(4-methoxyphenyl)-phenylmethyl]sulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)SC4C(C(OC4N5C=CC(=O)NC5=O)CO)O","BXSAVHWCMLTUKC-UHFFFAOYSA-N",401180,NA,"PDBC10530","714381","Present",NA,NA
+"10531","1-[3-[Carbamoyl(2-cyanoethyl)amino]propyl]-3-[4-[[3-[carbamoyl(2-cyanoethyl)amino]propyl-phenyl-carbamoyl]amino]phenyl]-1-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[Carbamoyl(2-cyanoethyl)amino]propyl]-3-[4-[[3-[carbamoyl(2-cyanoethyl)amino]propyl-phenylcarbamoyl]amino]phenyl]-1-phenylurea",NA,"C1=CC=C(C=C1)N(CCCN(CCC#N)C(=O)N)C(=O)NC2=CC=C(C=C2)NC(=O)N(CCCN(CCC#N)C(=O)N)C3=CC=CC=C3","TYWINWSATHJBSM-UHFFFAOYSA-N",393232,NA,"PDBC10531","694859","Present",NA,NA
+"10532","1-[3-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCCN6CCCC6=O","IIBZXEMUIIKKNS-XUGQPUMOSA-N",374334,NA,"PDBC10532","651858","Present",NA,NA
+"10533","1-[3-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]propyl]pyrrolidin-2-one;hydrochloride",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCCN6CCCC6=O.Cl","JNYKXOOOXMTHRT-IQRISIDTSA-N",374335,NA,"PDBC10533","651859","Present",NA,NA
+"10534","1-[4'-(1-Hydroxyethyl)-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4'-(1-Hydroxyethyl)-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4-yl]ethanol",NA,"CC(C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(C)O)O","ZHTIYCLFXYIHRK-UHFFFAOYSA-N",382761,NA,"PDBC10534","670439","Present",NA,NA
+"10535","1-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]pyrrolidine",NA,"CC1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C(O2)(C)C)N5CCCC5","RGTNXPYETOQWBX-UHFFFAOYSA-N",403564,NA,"PDBC10535","718588","Present",NA,NA
+"10536","1-[4,5-Bis(hydroxymethyl)tetrahydrothiophen-2-yl]-5-ethyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683336///NSC683337",NA,"CCC1=CN(C(=O)NC1=O)C2CC(C(S2)CO)CO","DAGGSMRONFTFTG-UHFFFAOYSA-N",388428,NA,"PDBC10536","683336///683337","Present",NA,NA
+"10537","1-[4,5-Dihydroxy-1,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4,5-Dihydroxy-1,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4(1H,3H)-dione",NA,"C1=CN(C(=O)NC1=O)C2(C=C(C(C2O)O)CO)CO","QCRJKGMDJACIFO-UHFFFAOYSA-N",366733,NA,"PDBC10537","635455","Present",NA,NA
+"10538","1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-4-hydroxypyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-2-hydroxypyridin-4(1H)-one",NA,"C1=CN(C(=O)C=C1O)C2C=C(C(C2O)O)CO","YLCXMFVBJWZLPP-UHFFFAOYSA-N",54676243,NA,"PDBC10538","627960","Present",NA,NA
+"10539","1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxy-1,3,5-triazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-4-methoxy-1,3,5-triazin-2(1H)-one",NA,"COC1=NC(=O)N(C=N1)C2C=C(C(C2O)O)CO","QJILVROEIMWXGZ-UHFFFAOYSA-N",366731,NA,"PDBC10539","635453","Present",NA,NA
+"10540","1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2(1H)-one",NA,"C1=CN(C(=O)N=C1)C2C=C(C(C2O)O)CO","XLZQKAGRWVHGNV-UHFFFAOYSA-N",369677,NA,"PDBC10540","641701","Present",NA,NA
+"10541","1-[4,5-Dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4,5-Dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidine-2,4-dione",NA,"C1C(C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O)O","ABSZGUKVQXZPRF-UHFFFAOYSA-N",251487,NA,"PDBC10541","71903","Present",NA,NA
+"10542","1-[4,5-Dimethyl-2-(phenylcarbamothioylamino)phenyl]-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiourea, N,N''-(4,5-dimethyl-1,2-phenylene)bis[N-phenyl-",NA,"CC1=CC(=C(C=C1C)NC(=S)NC2=CC=CC=C2)NC(=S)NC3=CC=CC=C3","VQAAMPPTIUBDBG-UHFFFAOYSA-N",4329919,NA,"PDBC10542","176392","Present",NA,NA
+"10543","1-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(1,2,3,4-Tetrahydroacridin-9-ylamino)phenyl]ethanone",NA,"CC(=O)C1=CC=C(C=C1)NC2=C3CCCCC3=NC4=CC=CC=C42","LISOWNMDDONOPL-UHFFFAOYSA-N",394839,NA,"PDBC10543","698691","Present",NA,NA
+"10544","1-[4-(1-Hydroxyethyl)-6-methoxypyridazin-3-yl]sulfonylpropan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[4-(1-Hydroxyethyl)-6-methoxypyridazin-3-yl]sulfonyl}propan-2-ol",NA,"CC(CS(=O)(=O)C1=NN=C(C=C1C(C)O)OC)O","SSNFSNALWXNYNT-UHFFFAOYSA-N",396911,NA,"PDBC10544","704090","Present",NA,NA
+"10545","1-[4-(1H-Benzimidazol-2-yl)phenyl]-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(1H-benzo[d]imidazol-2-yl)phenyl)-9H-pyrido[3,4-b]i...",NA,"C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","RAQMWBULFUWQMJ-UHFFFAOYSA-N",137656174,NA,"PDBC10545","787818","Present",NA,NA
+"10546","1-[4-(2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,9-Tetrahydro-1-(4-(2,3,4,9-tetrahydro-1H-pyrido[3,...",NA,"C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=C(C=C4)C5C6=C(CCN5)C7=CC=CC=C7N6","GJTGJNVSYAVKRP-UHFFFAOYSA-N",137634255,NA,"PDBC10546","789291","Present",NA,NA
+"10547","1-[4-(2,4-Difluorophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(2,4-Difluorophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone",NA,"C1=CC=C(C=C1)P(=CC(=O)C2=CC=C(C=C2)C3=C(C=C(C=C3)F)F)(C4=CC=CC=C4)C5=CC=CC=C5","YWKBQJDRPHVPBC-UHFFFAOYSA-N",403595,NA,"PDBC10547","718648","Present",NA,NA
+"10548","1-[4-(2-Chlorophenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(2-Chlorophenyl)piperazin-1-yl]-3-(1-naphthyloxy)propan-2-ol",NA,"C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=C4Cl","DYMSKKWHGDKENB-UHFFFAOYSA-N",260308,NA,"PDBC10548","91396","Present",NA,NA
+"10549","1-[4-(2-Hydroxyphenyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenyl-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(2-hydroxy- ph...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)CC4=CC=CC=C4","DXZPNEPIKKHWDD-UHFFFAOYSA-N",376456,NA,"PDBC10549","657370","Present",NA,NA
+"10550","1-[4-(2-Thienyl)phenyl]-2-(triphenylphosphoranylidene)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(2-Thienyl)phenyl]-2-(triphenylphosphoranylidene)ethanone",NA,"C1=CC=C(C=C1)P(=CC(=O)C2=CC=C(C=C2)C3=CC=CS3)(C4=CC=CC=C4)C5=CC=CC=C5","GTAJKXZJYWUXMB-UHFFFAOYSA-N",403100,NA,"PDBC10550","717572","Present",NA,NA
+"10551","1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-(3-hydroxyphenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-(3-hydroxyphenyl)thiourea",NA,"CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC3=CC(=CC=C3)O","NBVNBTRMNQQKNM-UHFFFAOYSA-N",3004452,NA,"PDBC10551","656360","Present",NA,NA
+"10552","1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]thiourea",NA,"CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC3C(C(C(C(O3)CO)O)O)O","MXIOOCRCWIRPLO-UHFFFAOYSA-N",3004453,NA,"PDBC10552","656362","Present",NA,NA
+"10553","1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-pyrazin-2-yl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-pyrazin-2-yl-thiourea",NA,"CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC3=NC=CN=C3","IRSVPNOYCCTXCG-UHFFFAOYSA-N",3001015,NA,"PDBC10553","656358","Present",NA,NA
+"10554","1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-pyrimidin-2-yl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(3-Ethoxy-1,2,4-triazol-1-yl)phenyl]-3-pyrimidin-2-yl-thiourea",NA,"CCOC1=NN(C=N1)C2=CC=C(C=C2)NC(=S)NC3=NC=CC=N3","QPUFOGKHBLQGSH-UHFFFAOYSA-N",3004451,NA,"PDBC10554","656359","Present",NA,NA
+"10555","1-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonyl-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonyl-3-phenylthiourea",NA,"CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC5=CC=CC=C5","KMLYNLXPQGJHFN-UHFFFAOYSA-N",24203721,NA,"PDBC10555","729200","Present",NA,NA
+"10556","1-[4-(3-Nitrophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(3-Nitrophenyl)phenyl]-2-(triphenyl-lambda5-phosphanylidene)ethanone",NA,"C1=CC=C(C=C1)P(=CC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5","DIHZBNKWFFGVJG-UHFFFAOYSA-N",403594,NA,"PDBC10556","718647","Present",NA,NA
+"10557","1-[4-(4-Chlorophenoxy)phenyl]-3-(diethylamino)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(4-Chlorophenoxy)phenyl]-3-(diethylamino)propan-1-one hydrochloride",NA,"CCN(CC)CCC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)Cl.Cl","INXRHPSFTNIISZ-UHFFFAOYSA-N",387868,NA,"PDBC10557","682077","Present",NA,NA
+"10558","1-[4-(4-Chlorophenyl)-3-cyanothiophen-2-yl]-3-[3-(trifluoromethyl)phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(4-chlorophenyl)-3-cyanothiophen-2-yl)-3-(3-(triflu...",NA,"C1=CC(=CC(=C1)NC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)Cl)C#N)C(F)(F)F","WYTHTAGNCQQVRI-UHFFFAOYSA-N",155808567,NA,"PDBC10558","788516","Present",NA,NA
+"10559","1-[4-(4-Chlorophenyl)-3-cyanothiophen-2-yl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(4-chlorophe...",NA,"C1=CC(=CC=C1C2=CSC(=C2C#N)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)Cl","JHHNAHWIIHRBKV-UHFFFAOYSA-N",155810743,NA,"PDBC10559","785510","Present",NA,NA
+"10560","1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-(2-methylphenoxy)propan-2-ol",NA,"CC1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(C=C3)Cl)O","ZDDFFRJBIPXMRV-UHFFFAOYSA-N",260272,NA,"PDBC10560","91357","Present",NA,NA
+"10561","1-[4-(4-Chlorophenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperazineethanol, 4-(p-chlorophenyl)-.alpha.-[1-napht...",NA,"C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=C(C=C4)Cl","LNTLXTBBTXSOSV-UHFFFAOYSA-N",260309,NA,"PDBC10561","91397","Present",NA,NA
+"10562","1-[4-(4-Dimethylaminophenyl)-6-imino-3-methyl-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-1-yl]-2-phenyl-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-[(4- (dimethyl...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)N(C)C)C(=O)CC4=CC=CC=C4","LSAHWHZGKYTPTJ-UHFFFAOYSA-N",376464,NA,"PDBC10562","657378","Present",NA,NA
+"10563","1-[4-(4-Ethylpiperazin-1-yl)phenyl]-3-[6-(2-methoxyphenyl)-1,3-benzothiazol-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(4-ethylpiperazin-1-yl)phenyl)-3-(6-(2-methoxypheny...",NA,"CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC3=NC4=C(S3)C=C(C=C4)C5=CC=CC=C5OC","GVDITXYBNSCBHO-UHFFFAOYSA-N",155816585,NA,"PDBC10563","795187","Present",NA,NA
+"10564","1-[4-(4-Fluorophenoxy)phenyl]-3-morpholino-propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(4-Fluorophenoxy)phenyl]-3-morpholin-4-ylpropan-1-one hydrochloride",NA,"C1COCCN1CCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F.Cl","GRSAYNATBUKEEW-UHFFFAOYSA-N",390070,NA,"PDBC10564","687007","Present",NA,NA
+"10565","1-[4-(4-Fluorophenoxy)phenyl]-3-pyrrolidin-1-yl-propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(4-Fluorophenoxy)phenyl]-3-pyrrolidin-1-ylpropan-1-one hydrochloride",NA,"C1CCN(C1)CCC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F.Cl","GLGKOIPJSLBXMF-UHFFFAOYSA-N",390486,NA,"PDBC10565","687856","Present",NA,NA
+"10566","1-[4-(4-Methoxyphenyl)-1,3-dithiol-2-ylidene]piperidin-1-ium;sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidinium, 1-[4-(4-methoxyphenyl)-1,3-dithiol-2-ylide...",NA,"COC1=CC=C(C=C1)C2=CSC(=[N+]3CCCCC3)S2.OS(=O)(=O)O","RDJLUIFSKVLPNL-UHFFFAOYSA-N",327415,NA,"PDBC10566","302358","Present",NA,NA
+"10567","1-[4-(6-Methylbenzothiazole-2-yl)phenyl]-2,6-dimethyl-5-(4-fluorophenyl)pyrimidine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(6-Methylbenzothiazole-2-yl)phenyl]-2,6-dimethyl-5-(4-fluorophenyl)pyrimidine-4(1H)-one",NA,"CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(=C(C(=O)N=C4C)C5=CC=C(C=C5)F)C","MRQCQBXRJAVLCL-UHFFFAOYSA-N",402133,NA,"PDBC10567","715990","Present",NA,NA
+"10568","1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea",NA,"CCCCNC(=S)NC1=NC(=CS1)C(=O)NNC(=O)C2=CC=CC=C2","QPPVOPRCFMANPP-UHFFFAOYSA-N",3005191,NA,"PDBC10568","681621","Present",NA,NA
+"10569","1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Benzamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea",NA,"C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNC(=O)C3=CC=CC=C3","LAHSMRAWLZVJCL-UHFFFAOYSA-N",3005193,NA,"PDBC10569","681623","Present",NA,NA
+"10570","1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-butyl-thiourea",NA,"CCCCNC(=S)NC1=NC(=CS1)C(=O)NNS(=O)(=O)C2=CC=CC=C2","QTSZBVMCGUDLCG-UHFFFAOYSA-N",3005190,NA,"PDBC10570","681620","Present",NA,NA
+"10571","1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Benzenesulfonamidocarbamoyl)thiazol-2-yl]-3-cyclohexyl-thiourea",NA,"C1CCC(CC1)NC(=S)NC2=NC(=CS2)C(=O)NNS(=O)(=O)C3=CC=CC=C3","MBUZPQGGSYLBAA-UHFFFAOYSA-N",3005192,NA,"PDBC10571","681622","Present",NA,NA
+"10572","1-[4-(Diethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Diethylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CCN(CC)C1CC(OC1CO)N2C=C(C(=O)NC2=O)C","DBHLCYAVHKWMOH-UHFFFAOYSA-N",372770,NA,"PDBC10572","648390","Present",NA,NA
+"10573","1-[4-(Diethylamino)phenyl]-3-(dimethylamino)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Diethylamino)phenyl]-3-(dimethylamino)thiourea",NA,"CCN(CC)C1=CC=C(C=C1)NC(=S)NN(C)C","JMJKJDJBRXLEKH-UHFFFAOYSA-N",3004639,NA,"PDBC10573","659178","Present",NA,NA
+"10574","1-[4-(Dimethylamino)butyl]-4,3-f]i ndole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(dimethylamino)butyl]-4,11-dihydroxy-1H-naphtho[2,3...",NA,"CN(C)CCCCN1C=CC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O","JOFDTDTYNVMMRI-UHFFFAOYSA-N",406507,NA,"PDBC10574","724634","Present",NA,NA
+"10575","1-[4-(Dimethylamino)pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Dimethylamino)pyridine-2-carbonyl]pyrrolidine-2-carboxylic acid",NA,"CN(C)C1=CC(=NC=C1)C(=O)N2CCCC2C(=O)O","NWGLMJXLUJHRSY-UHFFFAOYSA-N",386440,NA,"PDBC10575","678408","Present",NA,NA
+"10576","1-[4-(Dipropylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Dipropylamino)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;hydrochloride",NA,"CCCN(CCC)C1CC(OC1CO)N2C=C(C(=O)NC2=O)C.Cl","PWLZTAWCXCXARN-UHFFFAOYSA-N",372772,NA,"PDBC10576","648392","Present",NA,NA
+"10577","1-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]ethanone",NA,"CC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","LOVKQCYLYQTTRO-UHFFFAOYSA-N",404358,NA,"PDBC10577","720560","Present",NA,NA
+"10578","1-[4-(Hydrazinecarbonyl)phenyl]triazole-4,5-dicarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(Hydrazinecarbonyl)phenyl]triazole-4,5-dicarbohydrazide",NA,"C1=CC(=CC=C1C(=O)NN)N2C(=C(N=N2)C(=O)NN)C(=O)NN","UHROECAAMYMOAW-UHFFFAOYSA-N",386605,NA,"PDBC10578","679058","Present",NA,NA
+"10579","1-[4-(Trifluoromethyl)phenyl]-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(trifluoromethyl)phenyl)-3-(4-(3,4,5-trimethoxyphen...",NA,"COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)NC3=CC=C(C=C3)C(F)(F)F","CYGVCHYLMAKYRL-UHFFFAOYSA-N",155810746,NA,"PDBC10579","789270","Present",NA,NA
+"10580","1-[4-Amino-5-[8-[4-amino-5-(2-hydroxy-1-naphthyl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Amino-5-[8-[4-amino-5-(2-hydroxynaphthalen-1-yl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]naphthalen-2-ol",NA,"C1=CC=C2C(=C1)C=CC(=C2C3=NN=C(N3N)CCCCCCCCC4=NN=C(N4N)C5=C(C=CC6=CC=CC=C65)O)O","MPXITNOPPVQMDA-UHFFFAOYSA-N",382827,NA,"PDBC10580","670563","Present",NA,NA
+"10581","1-[4-Azido-5-(hydroxymethyl)oxolan-2-yl]-3-(4-bromobutyl)-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-(4-bromobutyl)-5-methyl-pyrimidine-2,4-dione",NA,"CC1=CN(C(=O)N(C1=O)CCCCBr)C2CC(C(O2)CO)N=[N+]=[N-]","VNLZHFGIBSIFIB-UHFFFAOYSA-N",397325,NA,"PDBC10581","704881","Present",NA,NA
+"10582","1-[4-Azido-5-(hydroxymethyl)oxolan-2-yl]-3-(4-hydroxybutyl)-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Azido-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-(4-hydroxybutyl)-5-methyl-pyrimidine-2,4-dione",NA,"CC1=CN(C(=O)N(C1=O)CCCCO)C2CC(C(O2)CO)N=[N+]=[N-]","JPGYCFTWHZBFGP-UHFFFAOYSA-N",397326,NA,"PDBC10582","704882","Present",NA,NA
+"10583","1-[4-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-CHLOROPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4-...",NA,"C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C4C(=N3)C(=NN4C5=CC=C(C=C5)Cl)C(=O)C6=CC=CC=C6","LULPLICQKBZFMK-UHFFFAOYSA-N",45028003,NA,"PDBC10583","740553","Present",NA,NA
+"10584","1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(4-(3,4,5-trime...",NA,"COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F","QDKXTTHAMDGYRM-UHFFFAOYSA-N",155815473,NA,"PDBC10584","785508","Present",NA,NA
+"10585","1-[4-Chloro-3-(trifluoromethyl)phenyl]-3-[5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazol-4-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)-5-(4...",NA,"COC1=CC=C(C=C1)C2=C(C=NN2C3=CC=C(C=C3)S(=O)(=O)N)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","IAGLNMAIIBVBIG-UHFFFAOYSA-N",155813704,NA,"PDBC10585","795332","Present",NA,NA
+"10586","1-[4-Chloro-3-nitrophenyl]-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chloro-3-nitrophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]","MOUAFIJXFJXMHU-UHFFFAOYSA-N",362625,NA,"PDBC10586","626766","Present",NA,NA
+"10587","1-[4-Diethoxyphosphoryl-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677991///1-[4-Diethoxyphosphoryl-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CCOP(=O)(C1CC(OC1CO)N2C=C(C(=O)NC2=O)C)OCC","WXAYOHUTNOMJOM-UHFFFAOYSA-N",386249,NA,"PDBC10587","677991///677992","Present",NA,NA
+"10588","1-[4-Ethoxycarbonyl)homopiperazine-1-yl]diazen-1-ium-1,2-dio late.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Ethoxycarbonyl)homopiperazine-1-yl]diazen-1-ium-1,2...",NA,"CCOC(=O)N1CCCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]","CBRJDKTVZPKXFR-HKWRFOASSA-N",11567470,NA,"PDBC10588","731704","Present",NA,NA
+"10589","1-[4-Hydroxy-3-methoxy-5-(4-methoxy-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]ethane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Hydroxy-3-methoxy-5-(4-methoxy-6-methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]ethane-1,2-diol",NA,"COC1C(C(OC1C(CO)O)N2C3=C(C=N2)C(=NC(=N3)SC)OC)O","ZDKDXBYCVFDSPK-UHFFFAOYSA-N",359456,NA,"PDBC10589","620321","Present",NA,NA
+"10590","1-[4-Hydroxy-5-(hydroxymethyl)-3-phenylselanyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Hydroxy-5-(hydroxymethyl)-3-phenylselanyl-tetrahydrofuran-2-yl]pyrimidine-2,4-dione",NA,"C1=CC=C(C=C1)[Se]C2C(C(OC2N3C=CC(=O)NC3=O)CO)O","FDVQDKKPZOYSHN-UHFFFAOYSA-N",387260,NA,"PDBC10590","680841","Present",NA,NA
+"10591","1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-oxo-3-phenylprop-1-ynyl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(3-oxo-3-phenylprop-1-ynyl)pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC(=O)C3=CC=CC=C3)CO)O","MLHIXYLZGOZMAD-UHFFFAOYSA-N",376342,NA,"PDBC10591","657174","Present",NA,NA
+"10592","1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(2-methylphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(2-methylphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione",NA,"CC1=CC=CC=C1C(=O)C#CC2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O","PVCLCZPXFXCJES-UHFFFAOYSA-N",376345,NA,"PDBC10592","657177","Present",NA,NA
+"10593","1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(4-methoxyphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(4-methoxyphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione",NA,"COC1=CC=C(C=C1)C(=O)C#CC2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O","DDGLCXXZOJBUFI-UHFFFAOYSA-N",376344,NA,"PDBC10593","657176","Present",NA,NA
+"10594","1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(4-methylphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[3-(4-methylphenyl)-3-oxoprop-1-ynyl]pyrimidine-2,4-dione",NA,"CC1=CC=C(C=C1)C(=O)C#CC2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O","FYJARRVFXQLJQC-UHFFFAOYSA-N",376343,NA,"PDBC10594","657175","Present",NA,NA
+"10595","1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-7-(4-phenylphenyl)pteridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-7-(4-phenylphenyl)pteridin-2-one",NA,"C1C(C(OC1N2C3=NC(=CN=C3C(=NC2=O)N)C4=CC=C(C=C4)C5=CC=CC=C5)CO)O","YJJXVFBNOUATSD-UHFFFAOYSA-N",387289,NA,"PDBC10595","680983","Present",NA,NA
+"10596","1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphtho[2,3-g]pteridine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphtho[2,3-g]pteridine-2,4-dione",NA,"C1C(C(OC1N2C3=NC4=CC5=CC=CC=C5C=C4N=C3C(=O)NC2=O)CO)O","VLALGVDYALURRM-UHFFFAOYSA-N",387290,NA,"PDBC10596","680984","Present",NA,NA
+"10597","1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrrolo[3,2-c]pyridin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrolo[3,2-c]pyridin-4(5H)-one, 1-(2-deoxy-B- D-ribo...",NA,"C1C(C(OC1N2C=CC3=C2C=CNC3=O)CO)O","UALQFXHTDJTTDP-UHFFFAOYSA-N",363431,NA,"PDBC10597","628342","Present",NA,NA
+"10598","1-[4-METHOXYPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-METHOXYPHENYL]-8-PHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4...",NA,"COC1=CC=C(C=C1)N2C3=NC4=NC(=CC(=O)N4N=C3C(=N2)C(=O)C5=CC=CC=C5)C6=CC=CC=C6","YXBZASQNWBKQOG-UHFFFAOYSA-N",45028004,NA,"PDBC10598","740554","Present",NA,NA
+"10599","1-[4-[(1,3-Dihydroxy-2-methylpropan-2-yl)amino]butyl]-5,10-dihydroxynaphtho[2,3-f]indole-4,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-dihydroxy-1-[4-[[2-hydroxy-1-(hydroxymethyl)-1-meth...",NA,"CC(CO)(CO)NCCCCN1C=CC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O","XKBZKSAZOWSJOR-UHFFFAOYSA-N",406504,NA,"PDBC10599","724631","Present",NA,NA
+"10600","1-[4-[(10-Oxidoacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[(10-Oxidoacridin-10-ium-9-yl)methylamino]phenyl]sulfonylguanidine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","RYPHBQJTSJNOAY-UHFFFAOYSA-N",494616,NA,"PDBC10600","627897","Present",NA,NA
+"10601","1-[4-[(2,5-Dihydroxyphenyl)methylamino]phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetophenone, 4'-[[2,5-dihydroxyphenyl)methyl]amino]-",NA,"CC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","XOGKCEFOHLEFQU-UHFFFAOYSA-N",391132,NA,"PDBC10601","689858","Present",NA,NA
+"10602","1-[4-[(2-Imidazol-1-ylquinolin-4-yl)amino]phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[(2-Imidazol-1-ylquinolin-4-yl)amino]phenyl]ethanone",NA,"CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)N4C=CN=C4","FLYUHVCBHQDMMN-UHFFFAOYSA-N",24203274,NA,"PDBC10602","727476","Present",NA,NA
+"10603","1-[4-[(2-Methoxy-6-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[(2-Methoxy-6-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine",NA,"COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","WVIUXTCGGOVNHQ-UHFFFAOYSA-N",391143,NA,"PDBC10603","689869","Present",NA,NA
+"10604","1-[4-[(2-Methylbenzimidazol-1-yl)methyl]phenyl]-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[(2-Methylbenzimidazol-1-yl)methyl]phenyl]-3-phenylthiourea",NA,"CC1=NC2=CC=CC=C2N1CC3=CC=C(C=C3)NC(=S)NC4=CC=CC=C4","QMBZZYNACTZEQY-UHFFFAOYSA-N",5470588,NA,"PDBC10604","703135","Present",NA,NA
+"10605","1-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-3-(trifluoromethyl)urea",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)NC(F)(F)F)C","KYYKFZMKHPTGLP-UHFFFAOYSA-N",383652,NA,"PDBC10605","672070","Present",NA,NA
+"10606","1-[4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)...",NA,"CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=NC(=CS3)C4=CC(=C(C(=C4)OC)OC)OC)C(F)(F)F","XBYMHWANOFCUQN-UHFFFAOYSA-N",155805864,NA,"PDBC10606","788519","Present",NA,NA
+"10607","1-[4-[(5-Methoxy-3-nitro-acridin-9-yl)amino]phenyl]sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[4-[(4-Methoxy-6-nitroacridin-9-yl)amino]phenyl]sulfonyl]guanidine",NA,"COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)[N+](=O)[O-]","JSHPTMNRVMYUMR-UHFFFAOYSA-N",391138,NA,"PDBC10607","689864","Present",NA,NA
+"10608","1-[4-[(6-Chloro-9-oxo-xanthen-4-yl)methylamino]phenyl]sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[(6-Chloro-9-oxo-xanthen-4-yl)methylamino]phenyl]sulfonylguanidine",NA,"C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","PZBLCALEQYSUTH-UHFFFAOYSA-N",391387,NA,"PDBC10608","690560","Present",NA,NA
+"10609","1-[4-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[(6-Methoxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone",NA,"CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","REFRFEOKNCSIRR-UHFFFAOYSA-N",11523527,NA,"PDBC10609","727472","Present",NA,NA
+"10610","1-[4-[(8-Hydroxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[(8-Hydroxy-2-phenylquinolin-4-yl)amino]phenyl]ethanone",NA,"CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4","LSYWEUUKZDERGX-UHFFFAOYSA-N",24205367,NA,"PDBC10610","735318","Present",NA,NA
+"10611","1-[4-[(E)-N-(Diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]urea;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[(E)-N-(Diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]-3-[4-[(Z)-N-(diaminomethylideneamino)-C-ethylcarbonimidoyl]phenyl]urea;hydrochloride",NA,"CCC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=NN=C(N)N)CC.Cl","XLJJSLPTPPLFKM-COHKWDRDSA-N",54600368,NA,"PDBC10611","181500","Present",NA,NA
+"10612","1-[4-[2-(4-Chlorophenyl)ethenyl]phenyl]-2-(dimethylamino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[(E)-2-(4-Chlorophenyl)ethenyl]phenyl]-2-(dimethylamino)ethanol",NA,"CN(C)CC(C1=CC=C(C=C1)C=CC2=CC=C(C=C2)Cl)O","KBGPTRHFMZERIT-ONEGZZNKSA-N",5929908,NA,"PDBC10612","26037","Present",NA,NA
+"10613","1-[4-[2-Oxo-3-(thiiran-2-ylmethyl)benzimidazol-1-yl]butyl]-3-(thiiran-2-ylmethyl)benzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[2-Oxo-3-(thiiran-2-ylmethyl)benzimidazol-1-yl]butyl]-3-(thiiran-2-ylmethyl)benzimidazol-2-one",NA,"C1C(S1)CN2C3=CC=CC=C3N(C2=O)CCCCN4C5=CC=CC=C5N(C4=O)CC6CS6","SCZLLUZRTMKFMB-UHFFFAOYSA-N",374920,NA,"PDBC10613","653505","Present",NA,NA
+"10614","1-[4-[2-[4-(5,6-Diphenyl-1,2,4-triazine-3-yl)piperazine-1-yl]-2-oxoethyl]piperazine-1-yl]-4-chlorobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(4-Chlorophenyl)piperazin-1-yl]-1-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)piperazin-1-yl]ethanone",NA,"C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Cl","KPSKRQKQQMAHFZ-UHFFFAOYSA-N",54612995,NA,"PDBC10614","749160","Present",NA,NA
+"10615","1-[4-[2-[4-(5,6-Diphenyl-1,2,4-triazine-3-yl)piperazine-1-yl]-2-oxoethyl]piperazine-1-yl]-4-methoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-(5,6-Diphenyl-1,2,4-triazin-3-yl)piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone",NA,"COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6","VPGTZPMVDPYMFG-UHFFFAOYSA-N",54612996,NA,"PDBC10615","749161","Present",NA,NA
+"10616","1-[4-[2-[4-[2-Hydroxy-3-(2,4,4-trimethylpentan-2-ylamino)propoxy]phenyl]propan-2-yl]phenoxy]-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propanol, 1,1'-[(1-methylethylidene)bis(4,1-phenyleneo...",NA,"CC(C)(C)CC(C)(C)NCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(CNC(C)(C)CC(C)(C)C)O)O.Cl","ZEBSJHGFNKTDIN-UHFFFAOYSA-N",5351240,NA,"PDBC10616","145366","Present",NA,NA
+"10617","1-[4-[2-[4-[2-Hydroxy-3-(2-methylpropylamino)propoxy]phenyl]propan-2-yl]phenoxy]-3-(2-methylpropylamino)propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-((propane-2,2-diylbis(4,1-phenylene))bis(oxy))bis(1...",NA,"CC(C)CNCC(COC1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)OCC(CNCC(C)C)O)O","ZNVOIJSFPMJPAS-UHFFFAOYSA-N",155812080,NA,"PDBC10617","793601","Present",NA,NA
+"10618","1-[4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea",NA,"C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(C4CC5=CC=CC=C5C4=N3)C6=CC=C(C=C6)Cl","SGXJLOLOIVPAEO-UHFFFAOYSA-N",16046109,NA,"PDBC10618","732734","Present",NA,NA
+"10619","1-[4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylthiourea",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC5=CC=CC=C5)C6=CC=C(C=C6)Cl","DLOADQMLOBPIEV-UHFFFAOYSA-N",24204753,NA,"PDBC10619","732735","Present",NA,NA
+"10620","1-[4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-cyclohexylurea",NA,"C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC=C(C=C2)N3C(=C4CC5=CC=CC=C5C4=N3)C6=CC=C(C=C6)Cl","SWDFYMAJVBVZJQ-UHFFFAOYSA-N",24204755,NA,"PDBC10620","732737","Present",NA,NA
+"10621","1-[4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea",NA,"C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6","GGRIZADTFDPUQU-UHFFFAOYSA-N",24204754,NA,"PDBC10621","732736","Present",NA,NA
+"10622","1-[4-[3-(4-Methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[3-(4-Methylphenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea",NA,"CC1=CC=C(C=C1)C2C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6","HYEMBRXHDQGLMS-UHFFFAOYSA-N",24204759,NA,"PDBC10622","732741","Present",NA,NA
+"10623","1-[4-[3-(4-Methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[3-(4-Methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]phenyl]sulfonyl-3-phenylurea",NA,"CC1=CC=C(C=C1)C2=C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)NC(=O)NC6=CC=CC=C6","WJVZYONZWILBNX-UHFFFAOYSA-N",24204769,NA,"PDBC10623","732751","Present",NA,NA
+"10624","1-[4-[4-(2,4-Dichlorophenyl)butyl]phenyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-Triazine, 4,6-diamino-1-[p-[4-(2,4-dichlorophenyl)buty...",NA,"CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)Cl)N)N)C.Cl","ZNKIWQHTKCGLGS-UHFFFAOYSA-N",5351219,NA,"PDBC10624","104129","Present",NA,NA
+"10625","1-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]ethanone",NA,"CC(=O)N1CCN(CC1)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42","UPGZTEULWWKXKO-UHFFFAOYSA-N",385584,NA,"PDBC10625","676881","Present",NA,NA
+"10626","1-[4-[4-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[4-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=CC(=O)NC4=O","MFFOUDZYFVDVOU-UHFFFAOYSA-N",392022,NA,"PDBC10626","691821","Present",NA,NA
+"10627","1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=C(C(=O)NC4=O)Br","XVLYFZIEZDAANU-UHFFFAOYSA-N",392025,NA,"PDBC10627","691824","Present",NA,NA
+"10628","1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[4-[(5-Bromo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)Br","RPVNLFGWKDRYBS-UHFFFAOYSA-N",392021,NA,"PDBC10628","691820","Present",NA,NA
+"10629","1-[4-[4-[(5-Chloro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[4-[(5-Chloro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)Cl","OAIKOHKGTMGNDO-UHFFFAOYSA-N",392018,NA,"PDBC10629","691817","Present",NA,NA
+"10630","1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=C(C(=O)NC4=O)F","VDSDTQDTHYFABG-UHFFFAOYSA-N",392024,NA,"PDBC10630","691823","Present",NA,NA
+"10631","1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[4-[(5-Fluoro-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)F","MIWPHKKTILHSTN-UHFFFAOYSA-N",392020,NA,"PDBC10631","691819","Present",NA,NA
+"10632","1-[4-[4-[(5-Iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[4-[(5-Iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)N6C=C(N=N6)CN7C=C(C(=O)NC7=O)I","NKMNFFRSQATFHI-UHFFFAOYSA-N",392019,NA,"PDBC10632","691818","Present",NA,NA
+"10633","1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone",NA,"C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC(=C(N=N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=CC=C6","OXJLPYLXJMWIGV-UHFFFAOYSA-N",54613117,NA,"PDBC10633","749148","Present",NA,NA
+"10634","1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone",NA,"COC1=CC=CC(=C1)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC(=C(N=N4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","HLSPGGPBIHDDCB-UHFFFAOYSA-N",54613005,NA,"PDBC10634","749150","Present",NA,NA
+"10635","1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone",NA,"C1CN(CCN1CC(=O)N2CCN(CC2)C3=NC(=C(N=N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","OWBRIGFKHWBCHW-UHFFFAOYSA-N",54613006,NA,"PDBC10635","749151","Present",NA,NA
+"10636","1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[5,6-Bis(4-chlorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone",NA,"COC1=CC=C(C=C1)N2CCN(CC2)CC(=O)N3CCN(CC3)C4=NC(=C(N=N4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","NXJCEXUJDIZLLX-UHFFFAOYSA-N",54613007,NA,"PDBC10636","749152","Present",NA,NA
+"10637","1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethanone",NA,"COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=O)CN4CCN(CC4)C5=CC=CC=C5)C6=CC=C(C=C6)OC","ZWLWZUGHMCTDGR-UHFFFAOYSA-N",54613114,NA,"PDBC10637","749145","Present",NA,NA
+"10638","1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-chlorophenyl)piperazin-1-yl]ethanone",NA,"COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=O)CN4CCN(CC4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC","ATKCICUHWIRZCD-UHFFFAOYSA-N",54613115,NA,"PDBC10638","749146","Present",NA,NA
+"10639","1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[5,6-Bis(4-methoxyphenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone",NA,"COC1=CC=C(C=C1)C2=C(N=NC(=N2)N3CCN(CC3)C(=O)CN4CCN(CC4)C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC","AVFSPFLOCZOTLX-UHFFFAOYSA-N",54613116,NA,"PDBC10639","749147","Present",NA,NA
+"10640","1-[4-[6-(4-Acetylpiperazin-1-yl)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-yl]piperazin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[6-(4-Acetylpiperazin-1-yl)-5-oxahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecan-4-yl]piperazin-1-yl]ethanone",NA,"CC(=O)N1CCN(CC1)C23C4C5CC6C4C(O2)(C7C6C5C37)N8CCN(CC8)C(=O)C","CEAFPVZMJUEATR-UHFFFAOYSA-N",385833,NA,"PDBC10640","677230","Present",NA,NA
+"10641","1-[4-[Benzyl(hydroxy)amino]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656908///1-[4-[Benzyl(hydroxy)amino]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)N(CC3=CC=CC=C3)O","BMEUEPIPSAKFEZ-UHFFFAOYSA-N",376228,NA,"PDBC10641","656908///656909","Present",NA,NA
+"10642","1-[4-[Bis(2-hydroxyethyl)amino]-butyl]-4,3-f]indole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[bis(2-hydroxyethyl)amino]-butyl]-4,11-dihydroxy-1H...",NA,"C1=CC=C2C(=C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CN4CCCCN(CCO)CCO)O","KQGMLVWBXDSKSQ-UHFFFAOYSA-N",406503,NA,"PDBC10642","724630","Present",NA,NA
+"10643","1-[4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]tetrahydrofuran-2-yl]-5-fluoro-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[Tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-5-fluoropyrimidine-2,4-dione",NA,"CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O[Si](C)(C)C(C)(C)C","XTEPBIUQFMKCPD-UHFFFAOYSA-N",388209,NA,"PDBC10643","682803","Present",NA,NA
+"10644","1-[4-[[1-Chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[[1-Chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine",NA,"C1CN(CCN1CCO)C(=O)C2=CC=C(C3=C(C4=CC=CC=C4N=C23)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N)Cl","FSLWJEIQOOQUGP-UHFFFAOYSA-N",370676,NA,"PDBC10644","644052","Present",NA,NA
+"10645","1-[4-[[2-(Benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[[2-(Benzotriazol-1-yl)quinolin-4-yl]amino]phenyl]ethanone",NA,"CC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4","LKUVKOSDQSURPE-UHFFFAOYSA-N",24203257,NA,"PDBC10645","727450","Present",NA,NA
+"10646","1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethanone",NA,"CC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NC4=CC=C(C=C4)F","PAOYYANTBCCAHG-UHFFFAOYSA-N",24205913,NA,"PDBC10646","737232","Present",NA,NA
+"10647","1-[4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]phenyl]sulfonylguanidine",NA,"C1CN(CCN1CCO)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","AALVIHLXBXFNCU-UHFFFAOYSA-N",370664,NA,"PDBC10647","644040","Present",NA,NA
+"10648","1-[5-(1-Hydroxy-2-naphthyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(1-Hydroxy-2-naphthyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C4=CC=CS4","QVGCZUSFVHLBCB-UHFFFAOYSA-N",390449,NA,"PDBC10648","687803","Present",NA,NA
+"10649","1-[5-(1-Hydroxyethyl)-4-(1,2,4-triazol-1-yl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651033///NSC651034",NA,"CC(C1C(CC(O1)N2C=CC(=O)NC2=O)N3C=NC=N3)O","RCYVHQQOBKRIMQ-UHFFFAOYSA-N",373995,NA,"PDBC10649","651033///651034","Present",NA,NA
+"10650","1-[5-(1-Hydroxypent-4-enyl)furan-2-yl]tridecan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(1-Hydroxypent-4-enyl)furan-2-yl]tridecan-1-ol",NA,"CCCCCCCCCCCCC(C1=CC=C(O1)C(CCC=C)O)O","WDJHYNJZVBZFRP-UHFFFAOYSA-N",10959064,NA,"PDBC10650","732216","Present",NA,NA
+"10651","1-[5-(11-Hydroxyundec-1-ynyl)furan-2-yl]tridecan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(11-Hydroxyundec-1-ynyl)furan-2-yl]tridecan-1-ol",NA,"CCCCCCCCCCCCC(C1=CC=C(O1)C#CCCCCCCCCCO)O","PIKPEMADOWAIRR-UHFFFAOYSA-N",17754962,NA,"PDBC10651","732217","Present",NA,NA
+"10652","1-[5-(1H-Benzimidazol-2-yl)-2-thioxo-3H-thiazol-4-yl]-3-phenyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(1H-Benzimidazol-2-yl)-2-thioxo-3H-thiazol-4-yl]-3-phenyl-thiourea",NA,"C1=CC=C(C=C1)NC(=S)NC2=C(SC(=S)N2)C3=NC4=CC=CC=C4N3","SYIWRKUOOLOQHK-UHFFFAOYSA-N",3004159,NA,"PDBC10652","633192","Present",NA,NA
+"10653","1-[5-(2-Aminophenyl)-1-(1,3-benzodioxol-5-yl)-2-methylpyrrol-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-acetyl-5-(2-aminophenyl)-1-(benzo[d][1,3]dioxol-5-yl)-...",NA,"CC1=C(C=C(N1C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4N)C(=O)C","FCTAZZXMYFKRSF-UHFFFAOYSA-N",155809164,NA,"PDBC10653","798089","Present",NA,NA
+"10654","1-[5-(2-Cyclohexylphenoxy)pentyl]piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC30417",NA,"C1CCC(CC1)C2=CC=CC=C2OCCCCCN3CCNCC3","NZWBFVUZQHXPKM-UHFFFAOYSA-N",410636,NA,"PDBC10654","30417","Present",NA,NA
+"10655","1-[5-(3,3-Dimethyl-2-oxobutyl)-2,4,5-trihydroxyfuran-2-yl]-3,3-dimethylbutan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(3,3-Dimethyl-2-oxobutyl)-2,4,5-trihydroxyfuran-2-yl]-3,3-dimethylbutan-2-one",NA,"CC(C)(C)C(=O)CC1(C=C(C(O1)(CC(=O)C(C)(C)C)O)O)O","QFTDIOIUIPIVFP-UHFFFAOYSA-N",404260,NA,"PDBC10655","720438","Present",NA,NA
+"10656","1-[5-(3-Acetyl-4-hydroxy-phenyl)sulfonyl-2-hydroxy-phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(3-Acetyl-4-hydroxy-phenyl)sulfonyl-2-hydroxy-phenyl]ethanone",NA,"CC(=O)C1=C(C=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)O)C(=O)C)O","BTWAJJBVZFAYDM-UHFFFAOYSA-N",391002,NA,"PDBC10656","689409","Present",NA,NA
+"10657","1-[5-(3-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(3-Bromophenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)Br)C3=CC(=C(C(=C3)OC)OC)OC","SZRVVNZEJHWCFG-UHFFFAOYSA-N",45028986,NA,"PDBC10657","745089","Present",NA,NA
+"10658","1-[5-(3-Formylindol-1-yl)pentyl]indole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(3-Formylindol-1-yl)pentyl]indole-3-carbaldehyde",NA,"C1=CC=C2C(=C1)C(=CN2CCCCCN3C=C(C4=CC=CC=C43)C=O)C=O","VAAJFERPENUVEB-UHFFFAOYSA-N",381741,NA,"PDBC10658","668601","Present",NA,NA
+"10659","1-[5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC(=CC=C2)OC)C3=CC(=C(C(=C3)OC)OC)OC","ZLRZNULDLZNBNY-UHFFFAOYSA-N",16257373,NA,"PDBC10659","744675","Present",NA,NA
+"10660","1-[5-(3-Nitrophenyl)thiophen-2-yl]-2-(triphenyl-lambda5-phosphanylidene)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(3-Nitrophenyl)thiophen-2-yl]-2-(triphenyl-lambda5-phosphanylidene)ethanone",NA,"C1=CC=C(C=C1)P(=CC(=O)C2=CC=C(S2)C3=CC(=CC=C3)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5","KQBVRQXUFWZFNH-UHFFFAOYSA-N",403908,NA,"PDBC10660","719496","Present",NA,NA
+"10661","1-[5-(4-Hydroxy-3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(4-Hydroxy-3-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC(=C(C=C2)O)OC)C3=CC(=C(C(=C3)OC)OC)OC","OLGQAEJKONXUAZ-UHFFFAOYSA-N",135908147,NA,"PDBC10661","745492","Present",NA,NA
+"10662","1-[5-(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-phenyltetrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-5-ph...",NA,"COC1=CC=C(C=C1)C2CC(=NN2)N3C(=NN=N3)C4=CC=CC=C4","UVBOOOFMJIYMEY-UHFFFAOYSA-N",155809884,NA,"PDBC10662","756078","Present",NA,NA
+"10663","1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(4-methyl-1-piperazinyl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(4- ...",NA,"CN1CCN(CC1)C2=CN=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCN(CC5)C)F)C(=O)O","BNASZLDHUPDXNM-UHFFFAOYSA-N",384540,NA,"PDBC10663","674548","Present",NA,NA
+"10664","1-[5-(4-Methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(4-Methylsulfanylphenyl)-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC(=C(C(=C3)OC)OC)OC","WSHQABRXPCSCRM-UHFFFAOYSA-N",45028883,NA,"PDBC10664","744688","Present",NA,NA
+"10665","1-[5-(4-Methylsulfanylphenyl)-3-(4-methylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(4-Methylsulfanylphenyl)-3-(4-methylthiophen-2-yl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC1=CSC(=C1)C2CC(=NN2C(=O)C)C3=CC=C(C=C3)SC","XEKFTXGNFZIJST-UHFFFAOYSA-N",45027950,NA,"PDBC10665","740246","Present",NA,NA
+"10666","1-[5-(4-Methylsulfanylphenyl)-3-[5-(2,4,5-trichlorophenyl)furan-2-yl]-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(4-Methylsulfanylphenyl)-3-[5-(2,4,5-trichlorophenyl)furan-2-yl]-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(O3)C4=CC(=C(C=C4Cl)Cl)Cl","LVAJSOCJZOMYQO-UHFFFAOYSA-N",11662987,NA,"PDBC10666","740234","Present",NA,NA
+"10667","1-[5-(Dimethoxymethyl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-4-imino-pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[5-(dimethoxymethyl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidin-2-one",NA,"COC(C1C(C(C(O1)CO)N2C=CC(=NC2=O)N)O)OC","DBLIMSUPOMWVSQ-UHFFFAOYSA-N",393728,NA,"PDBC10667","696246","Present",NA,NA
+"10668","1-[5-(Dimethoxymethyl)-4-hydroxy-tetrahydrofuran-3-yl]-5-fluoro-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(Dimethoxymethyl)-4-hydroxy-tetrahydrofuran-3-yl]-5-fluoro-pyrimidine-2,4-dione",NA,"COC(C1C(C(CO1)N2C=C(C(=O)NC2=O)F)O)OC","QHZOWDCTTDCNGN-UHFFFAOYSA-N",393729,NA,"PDBC10668","696247","Present",NA,NA
+"10669","1-[5-(Dimethylaminomethyl)-4,5-dihydrooxazol-2-yl]-3-phenyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(Dimethylaminomethyl)-4,5-dihydrooxazol-2-yl]-3-phenyl-urea",NA,"CN(C)CC1CN=C(O1)NC(=O)NC2=CC=CC=C2","WCTPNQRMPUQCIY-UHFFFAOYSA-N",388213,NA,"PDBC10669","682807","Present",NA,NA
+"10670","1-[5-(Fluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687313///1-[5-(Fluoromethyl)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1h,3h)-dione",NA,"CC1=CN(C(=O)NC1=O)C2CCC(O2)(CO)CF","FKVYQXLAWWGQES-UHFFFAOYSA-N",390168,NA,"PDBC10670","687313///687314","Present",NA,NA
+"10671","1-[5-(Hydroxymethyl)-4-(3-hydroxypropyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651035///NSC651036",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)CCCO","GZWIAXFTACEFKO-UHFFFAOYSA-N",373996,NA,"PDBC10671","651035///651036","Present",NA,NA
+"10672","1-[5-(Hydroxymethyl)-4-[4-[(5-iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(Hydroxymethyl)-4-[4-[(5-iodo-2,4-dioxopyrimidin-1-yl)methyl]triazol-1-yl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=N3)CN4C=C(C(=O)NC4=O)I","QQIJAJXOAAOQTE-UHFFFAOYSA-N",392023,NA,"PDBC10672","691822","Present",NA,NA
+"10673","1-[5-(Hydroxymethyl)-4-methoxytetrahydrofuran-2-yl]pyrimidine-2,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(hydroxymethyl)-4-methoxytetrahydrofuran-2-yl]pyrim...",NA,"COC1CC(OC1CO)N2C=CC(=O)NC2=O","MJLFWMACMGAXSW-UHFFFAOYSA-N",380916,NA,"PDBC10673","666700","Present",NA,NA
+"10674","1-[5-Chloro-2-nitrophenyl]-3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Chloro-2-nitrophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC(=C4)Cl)[N+](=O)[O-]","MVWZAKQZPDBCEA-UHFFFAOYSA-N",362626,NA,"PDBC10674","626767","Present",NA,NA
+"10675","1-[5-Oxo-3-(p-tolyl)-1H-1,2,4-triazol-4-yl]pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-Oxo-3-(p-tolyl)-1H-1,2,4-triazol-4-yl]pyrrole-2,5-dione",NA,"CC1=CC=C(C=C1)C2=NNC(=O)N2N3C(=O)C=CC3=O","ZMIQIYOQVFGCMX-UHFFFAOYSA-N",388161,NA,"PDBC10675","682725","Present",NA,NA
+"10676","1-[5-[(E)-2-(4-Dimethylaminophenyl)vinyl]-6-methyl-1,2,4-triazin-3-yl]-6-hydroxy-3-phenyl-2-thioxo-pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[(E)-2-[4-(Dimethylamino)phenyl]ethenyl]-6-methyl-1,2,4-triazin-3-yl]-6-hydroxy-3-phenyl-2-sulfanylidenepyrimidin-4-one",NA,"CC1=C(N=C(N=N1)N2C(=CC(=O)N(C2=S)C3=CC=CC=C3)O)C=CC4=CC=C(C=C4)N(C)C","JQBIFFJOXPOSFS-SDNWHVSQSA-N",6412312,NA,"PDBC10676","698031","Present",NA,NA
+"10677","1-[5-[2-[2-(3-Acetyl-2-phenyl-2H-1,3,4-oxadiazol-5-yl)anilino]phenyl]-2-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-(4-acetyl-5-phenyl-4,5-dihydro-1,3,4-oxadiazol-2-yl)phenyl)amine",NA,"CC(=O)N1C(OC(=N1)C2=CC=CC=C2NC3=CC=CC=C3C4=NN(C(O4)C5=CC=CC=C5)C(=O)C)C6=CC=CC=C6","WJICGEQVSYSGKX-UHFFFAOYSA-N",394758,NA,"PDBC10677","698461","Present",NA,NA
+"10678","1-[5-[4,6-Bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxy-3-methoxyoxolan-2-yl]ethane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[4,6-Bis(methylsulfanyl)pyrazolo[3,4-d]pyrimidin-1-yl]-4-hydroxy-3-methoxyoxolan-2-yl]ethane-1,2-diol",NA,"COC1C(C(OC1C(CO)O)N2C3=C(C=N2)C(=NC(=N3)SC)SC)O","GUCPOOUUFYZUOO-UHFFFAOYSA-N",359455,NA,"PDBC10678","620320","Present",NA,NA
+"10679","1-[5-[4-(Diethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[4-(Diethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CCN(CC)C1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C","ZEQZWVXJKZPDND-UHFFFAOYSA-N",45028987,NA,"PDBC10679","745090","Present",NA,NA
+"10680","1-[5-[4-(Dimethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[4-(Dimethylamino)phenyl]-3-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)N(C)C)C3=CC(=C(C(=C3)OC)OC)OC","AXJHFRFVPWAUQX-UHFFFAOYSA-N",45028872,NA,"PDBC10680","744677","Present",NA,NA
+"10681","1-[5-[4-[[4,6-Bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[4-[[4,6-Bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-(4-nitrophenyl)-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)Cl)C6=CC=C(C=C6)[N+](=O)[O-]","KIOHTZKSFNWBAK-UHFFFAOYSA-N",45028663,NA,"PDBC10681","743571","Present",NA,NA
+"10682","1-[5-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[4-[[4,6-Bis(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)F)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)N(C)C","KUGPPKIELDRNIK-UHFFFAOYSA-N",45028699,NA,"PDBC10682","743868","Present",NA,NA
+"10683","1-[5-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[4-[[4-(4-Chloroanilino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-3-[4-(dimethylamino)phenyl]-3,4-dihydropyrazol-2-yl]ethanone",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)Cl)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)N(C)C","LUMLKAKLCRZTIY-UHFFFAOYSA-N",45028984,NA,"PDBC10683","745087","Present",NA,NA
+"10684","1-[5-[5-(4-Acetyl-5-thioxo-1,3,4-oxadiazol-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl]-2-thioxo-1,3,4-oxadiazol-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[5-(4-Acetyl-5-sulfanylidene-1,3,4-oxadiazol-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl]-2-sulfanylidene-1,3,4-oxadiazol-3-yl]ethanone",NA,"CC1=C(NC(=C1C2=NN(C(=S)O2)C(=O)C)C)C3=NN(C(=S)O3)C(=O)C","KFVLIEGXECCRBD-UHFFFAOYSA-N",391122,NA,"PDBC10684","689740","Present",NA,NA
+"10685","1-[5-[Hydroxy(quinolin-3-yl)methyl]furan-2-yl]hex-5-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[Hydroxy(quinolin-3-yl)methyl]furan-2-yl]hex-5-en-1-ol",NA,"C=CCCCC(C1=CC=C(O1)C(C2=CC3=CC=CC=C3N=C2)O)O","QQCLDSZEVDGJCG-UHFFFAOYSA-N",24204575,NA,"PDBC10685","732218","Present",NA,NA
+"10686","1-[5-[[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]-3-[4-(trifluoromethyl)phenyl]urea",NA,"CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNCC3C(C4C(O3)OC(O4)(C)C)NC(=O)NC5=CC=C(C=C5)C(F)(F)F","KRBLUZMCIMROMM-UHFFFAOYSA-N",45028439,NA,"PDBC10686","742853","Present",NA,NA
+"10687","1-[5-[[5-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[[5-[(2,4-Dioxopyrimidin-1-yl)methyl]triazol-1-yl]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C(=CN=N3)CN4C=CC(=O)NC4=O)O","IAKYOCQVAMMWCY-UHFFFAOYSA-N",392014,NA,"PDBC10687","691813","Present",NA,NA
+"10688","1-[5-[[5-[(6-Aminopurin-9-yl)methyl]triazol-1-yl]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[[5-[(6-Aminopurin-9-yl)methyl]triazol-1-yl]methyl]-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C(=CN=N3)CN4C=NC5=C(N=CN=C54)N)O","CUJCXHSOSKHBJE-UHFFFAOYSA-N",392013,NA,"PDBC10688","691812","Present",NA,NA
+"10689","1-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-[[tert-butyl(dimethyl)silyl]oxy-methyl-amino]-3-phenylselanyl-tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-[[tert-butyl(dimethyl)silyl]oxy-methylamino]-3-phenylselanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO[Si](C)(C)C(C)(C)C)N(C)O[Si](C)(C)C(C)(C)C)[Se]C3=CC=CC=C3","FANWTEHKYRHXQY-UHFFFAOYSA-N",384518,NA,"PDBC10689","674469","Present",NA,NA
+"10690","1-[5-[[[4-Chlorobutyl(methyl)amino]-[(1,4-dioxonaphthalen-2-yl)methoxy]phosphoryl]oxymethyl]-2,5-dihydrofuran-2-yl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3'-Dideoxy-2',3'-didehydrothymidyl 5-nitrofurfuryl N-...",NA,"CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(N(C)CCCCCl)OCC3=CC(=O)C4=CC=CC=C4C3=O","TXENIGDHEOXUPT-UHFFFAOYSA-N",404845,NA,"PDBC10690","721389","Present",NA,NA
+"10691","1-[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]ethanone",NA,"CC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)Cl)Cl)[O-])C(F)(F)F","DUAGXVMKTWHBHK-UHFFFAOYSA-N",403949,NA,"PDBC10691","719715","Present",NA,NA
+"10692","1-[6-(2,4,6-Trichlorophenoxy)hexyl]piperazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC31334",NA,"C1CN(CCN1)CCCCCCOC2=C(C=C(C=C2Cl)Cl)Cl.Cl","OXCUVNOAUPEOOK-UHFFFAOYSA-N",24183885,NA,"PDBC10692","31334","Present",NA,NA
+"10693","1-[6-(4-Cyclohexylphenoxy)hexyl]piperazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-(4-Cyclohexylphenoxy)hexyl]piperazine;hydrochloride",NA,"C1CCC(CC1)C2=CC=C(C=C2)OCCCCCCN3CCNCC3.Cl","GLOROZSENIYPBK-UHFFFAOYSA-N",24181467,NA,"PDBC10693","9329","Present",NA,NA
+"10694","1-[6-(4-Pentan-2-ylphenoxy)hexyl]piperazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC30413",NA,"CCCC(C)C1=CC=C(C=C1)OCCCCCCN2CCNCC2.Cl","ZPXSLBWMTDVTJB-UHFFFAOYSA-N",54605432,NA,"PDBC10694","30413","Present",NA,NA
+"10695","1-[6-(4-Tert-butylphenoxy)hexyl]piperazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC30426",NA,"CC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCNCC2.Cl","SXOOXMAPXSMFPV-UHFFFAOYSA-N",54603811,NA,"PDBC10695","30426","Present",NA,NA
+"10696","1-[6-(Trifluoromethyl)-1H-benzoimidazole-2-yl]-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl)-6-(tri...",NA,"COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F","ZUKDLCVEWHZVQL-UHFFFAOYSA-N",101882095,NA,"PDBC10696","766331","Present",NA,NA
+"10697","1-[6-(Trifluoromethyl)-1H-benzoimidazole-2-yl]-3-phenylimidazo[1,5-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-phenyl-1-(6-(trifluoromethyl)-1H-benzo[d]imidazol-2-yl...",NA,"C1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=C(N4)C=C(C=C5)C(F)(F)F","VBCDIUYODMQLRW-UHFFFAOYSA-N",101882092,NA,"PDBC10697","774952","Present",NA,NA
+"10698","1-[6-Methoxy-2-(2-thienyl)-4-quinolyl]-2-thiomorpholino-ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinolinemethanol,  6-methoxy-2-(2-thienyl)-.alpha.-[(...",NA,"COC1=CC2=C(C=C1)N=C(C=C2C(CN3CCSCC3)O)C4=CC=CS4","OKNKEAGLYVCUDV-UHFFFAOYSA-N",362377,NA,"PDBC10698","626121","Present",NA,NA
+"10699","1-[6-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]-1,3-benzodioxol-5-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]-1,3-benzodioxol-5-yl]ethanone",NA,"CC(=O)C1=CC2=C(C=C1NC3=C4C(=COC4=NC5=CC=CC=C53)Cl)OCO2","CVQQQJCBXBNPRU-UHFFFAOYSA-N",11675324,NA,"PDBC10699","727801","Present",NA,NA
+"10700","1-[6-[(6-Methoxynaphthalen-2-yl)methylamino]hexyl]-3-naphthalen-1-ylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[(6-Methoxy-2-naphthyl)methylamino]hexyl]-3-(1-naphthyl)urea",NA,"COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43","OOSVNGFGTLOPMG-UHFFFAOYSA-N",393610,NA,"PDBC10700","695802","Present",NA,NA
+"10701","1-[6-[2-[2-(4-Nitrophenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[2-[2-(4-Nitrophenyl)ethynyl]phenyl]hex-5-ynyl]piperidin-2-one",NA,"C1CCN(C(=O)C1)CCCCC#CC2=CC=CC=C2C#CC3=CC=C(C=C3)[N+](=O)[O-]","OBIVJCYSEWSBRP-UHFFFAOYSA-N",45028780,NA,"PDBC10701","744168","Present",NA,NA
+"10702","1-[6-[3,3-Bis(butylsulfanyl)prop-2-enoyl]-2-pyridyl]-3,3-bis(butylsulfanyl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[3,3-Bis(butylsulfanyl)prop-2-enoyl]-2-pyridyl]-3,3-bis(butylsulfanyl)prop-2-en-1-one",NA,"CCCCSC(=CC(=O)C1=NC(=CC=C1)C(=O)C=C(SCCCC)SCCCC)SCCCC","ICYSZPDXZPQNKI-UHFFFAOYSA-N",373786,NA,"PDBC10702","650749","Present",NA,NA
+"10703","1-[6-[3-(2-Pyridin-3-ylethynyl)phenyl]hex-5-ynyl]piperidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[3-(2-Pyridin-3-ylethynyl)phenyl]hex-5-ynyl]piperidin-2-one",NA,"C1CCN(C(=O)C1)CCCCC#CC2=CC(=CC=C2)C#CC3=CN=CC=C3","FFADUVTXSJYHEL-UHFFFAOYSA-N",45028957,NA,"PDBC10703","745018","Present",NA,NA
+"10704","1-[6-[4-(2-Methylbutan-2-yl)phenoxy]hexyl]piperazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[4-(2-Methylbutan-2-yl)phenoxy]hexyl]piperazine;hydrochloride",NA,"CCC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCNCC2.Cl","ASHCZBMKUATZTO-UHFFFAOYSA-N",24181465,NA,"PDBC10704","9327","Present",NA,NA
+"10705","1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-ethynyl-6-iodopyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-ethynyl-6-iodopyrimidine-2,4-dione",NA,"CC1(OC2C(OC(C2O1)N3C(=C(C(=O)NC3=O)C#C)I)CO[Si](C)(C)C(C)(C)C)C","RULCQGVFYVAUBK-UHFFFAOYSA-N",45028651,NA,"PDBC10705","743558","Present",NA,NA
+"10706","1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione",NA,"CCCCC#CC1=C(N(C(=O)NC1=O)C2C3C(C(O2)CO[Si](C)(C)C(C)(C)C)OC(O3)(C)C)I","TVHVCMVULQFFSY-UHFFFAOYSA-N",45028649,NA,"PDBC10706","743556","Present",NA,NA
+"10707","1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iodo-5-(2-trimethylsilylethynyl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iodo-5-(2-trimethylsilylethynyl)pyrimidine-2,4-dione",NA,"CC1(OC2C(OC(C2O1)N3C(=C(C(=O)NC3=O)C#C[Si](C)(C)C)I)CO[Si](C)(C)C(C)(C)C)C","CCLKJPVRLBZGGR-UHFFFAOYSA-N",45028652,NA,"PDBC10707","743559","Present",NA,NA
+"10708","1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-5-hydroxy-tetrahydropyran-3-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2-ethoxy-5-hydroxyoxan-3-yl]pyrimidine-2,4-dione",NA,"CCOC1C(CC(C(O1)CO[Si](C)(C)C(C)(C)C)O)N2C=CC(=O)NC2=O","VPXFRHSNKICYPX-UHFFFAOYSA-N",395153,NA,"PDBC10708","699453","Present",NA,NA
+"10709","1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-isopropoxy-tetrahydropyran-3-yl]-5-methyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[6-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-2-propan-2-yloxyoxan-3-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(OC2OC(C)C)CO[Si](C)(C)C(C)(C)C)O","LURMHPSVRXKOQU-UHFFFAOYSA-N",395154,NA,"PDBC10709","699454","Present",NA,NA
+"10710","1-[7-(4-Tert-butylphenoxy)heptyl]piperazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC22165",NA,"CC(C)(C)C1=CC=C(C=C1)OCCCCCCCN2CCNCC2.Cl","YDFQBFVAHSBELM-UHFFFAOYSA-N",54601116,NA,"PDBC10710","22165","Present",NA,NA
+"10711","1-[7-Chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[7-Chloro-2-(4-chlorophenyl)-8-methylquinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride",NA,"CCN(CC)CC(C1=CC(=NC2=C1C=CC(=C2C)Cl)C3=CC=C(C=C3)Cl)O.Cl","ZFIINLSHYWVCMD-UHFFFAOYSA-N",24184089,NA,"PDBC10711","32936","Present",NA,NA
+"10712","1-[7-Chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[7-Chloro-2-(4-chlorophenyl)quinolin-4-yl]-2-(diethylamino)ethanol;hydrochloride",NA,"CCN(CC)CC(C1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)Cl)O.Cl","ZIIAVIREADSDCE-UHFFFAOYSA-N",24181064,NA,"PDBC10712","4378","Present",NA,NA
+"10713","1-[7-Methyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[7-Methyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]propan-1-one",NA,"CCC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)C)[O-])C(F)(F)F","UPPXQYINBFSWBA-UHFFFAOYSA-N",24203707,NA,"PDBC10713","729179","Present",NA,NA
+"10714","1-[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]piperazine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCNCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","DBEFHKMWRWJVAF-UHFFFAOYSA-N",384846,NA,"PDBC10714","675364","Present",NA,NA
+"10715","1-[8-(2,3-Dimethoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[8-(2,3-Dimethoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine",NA,"CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)OC","QUAKHYXKSRPYCZ-UHFFFAOYSA-N",356039,NA,"PDBC10715","611074","Present",NA,NA
+"10716","1-[8-(3-Formylindol-1-yl)octyl]indole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[8-(3-Formylindol-1-yl)octyl]indole-3-carbaldehyde",NA,"C1=CC=C2C(=C1)C(=CN2CCCCCCCCN3C=C(C4=CC=CC=C43)C=O)C=O","AWXYINCQJYFKDG-UHFFFAOYSA-N",379249,NA,"PDBC10716","663663","Present",NA,NA
+"10717","1-[8-(3-Methoxyphenyl)-6,7-dimethyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[8-(3-Methoxyphenyl)-6,7-dimethyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]pyrrolidine",NA,"CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=CC(=CC=C5)OC","LUELUYBCCRBFBS-UHFFFAOYSA-N",382365,NA,"PDBC10717","669884","Present",NA,NA
+"10718","1-[8-[4-(Dimethylamino)phenyl]-6-hydroxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[8-[4-(Dimethylamino)phenyl]-6-hydroxy-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-7-yl]ethanone",NA,"CC(=O)C1C(C2=CC3=C(C=C2OC1(C)O)OCO3)C4=CC=C(C=C4)N(C)C","WPRIGIWLWBHLBX-UHFFFAOYSA-N",358789,NA,"PDBC10718","618858","Present",NA,NA
+"10719","1-[9-(4-Chlorophenyl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[9-(4-Chlorophenyl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine;chloride",NA,"C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=C(C=C6)Cl.[Cl-]","RGTMFVSUDYTFHZ-UHFFFAOYSA-M",60147611,NA,"PDBC10719","751819","Present",NA,NA
+"10720","1-[9-(Furan-2-yl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[9-(Furan-2-yl)-6-piperidin-1-ium-1-ylidenexanthen-3-yl]piperidine;chloride",NA,"C1CCN(CC1)C2=CC3=C(C=C2)C(=C4C=CC(=[N+]5CCCCC5)C=C4O3)C6=CC=CO6.[Cl-]","FNCCNOYEBYFMMQ-UHFFFAOYSA-M",60147609,NA,"PDBC10720","751818","Present",NA,NA
+"10721","1-[9-[2-[4-[2-(2-Methoxypropan-2-yloxy)ethyl]piperazin-1-yl]ethyl]-1H-cyclopenta[b][1,4]benzothiazin-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[9-[2-[4-[2-(2-Methoxypropan-2-yloxy)ethyl]piperazin-1-yl]ethyl]-1H-cyclopenta[b][1,4]benzothiazin-2-yl]ethanone",NA,"CC(=O)C1=CC2=C(C1)N(C3=CC=CC=C3S2)CCN4CCN(CC4)CCOC(C)(C)OC","OMQJELZGTFDCOI-UHFFFAOYSA-N",398333,NA,"PDBC10721","708053","Present",NA,NA
+"10722","1-[9-[3,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(methylcarbamoylamino)methyl]oxolan-2-yl]purin-6-yl]-3-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[9-[3,4-Bis[[tert-butyl(dimethyl)silyl]oxy]-5-[(methylcarbamoylamino)methyl]oxolan-2-yl]purin-6-yl]-3-phenylurea",NA,"CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC","QRNGTFCYIZAZOC-UHFFFAOYSA-N",54613763,NA,"PDBC10722","750689","Present",NA,NA
+"10723","1-[?]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[?]ethanone",NA,"CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)O.[Ni+2]","UUPZKGNXJKDLPF-SLWJBZKLSA-L",135508855,NA,"PDBC10723","625861","Present",NA,NA
+"10724","1-[?]ylethane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[?]ylethane-1,2-diol",NA,"C1C2C(OC1NC3=CC=CC=C3N2)C(CO)O","FZQKDSYPGNPYFV-UHFFFAOYSA-N",382442,NA,"PDBC10724","670008","Present",NA,NA
+"10725","1-[Bis(4-chlorophenyl)methyl]piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCI-142496",NA,"C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","PTLFMGDNZYQISN-UHFFFAOYSA-N",285510,NA,"PDBC10725","142496","Present",NA,NA
+"10726","1-[Bis(4-tert-butylphenyl)-methoxymethyl]-4-tert-butylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Bis(4-tert-butylphenyl)-methoxymethyl]-4-tert-butylbenzene",NA,"CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)OC","UKUTYOJFKDKPLI-UHFFFAOYSA-N",357630,NA,"PDBC10726","617154","Present",NA,NA
+"10727","1-[Bis(aziridin-1-yl)phosphorothioyl]pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrrolidine, 1-(di-1-aziridinylphosphinothioyl) (9ci)",NA,"C1CCN(C1)P(=S)(N2CC2)N3CC3","DDYAFCWSLZNSFO-UHFFFAOYSA-N",244656,NA,"PDBC10727","55740","Present",NA,NA
+"10728","1-[Bis(dimethylamino)phosphoryl]-N-(4-nitroanilino)formamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Bis(dimethylamino)phosphoryl]-N-(4-nitroanilino)formamidine",NA,"CN(C)P(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])N)N(C)C","ALDMZBBSWIXUTK-UHFFFAOYSA-N",9555597,NA,"PDBC10728","652139","Present",NA,NA
+"10729","1-[Bis[[3,5-bis(trifluoromethyl)phenyl]sulfanyl]methyl]cyclohex-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Bis{[3,5-bis(trifluoromethyl)phenyl]sulfanyl}methyl)cyclohex-2-en-1-ol",NA,"C1CC=CC(C1)(C(SC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)SC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O","CNQMXLSBZNQREH-UHFFFAOYSA-N",400458,NA,"PDBC10729","712195","Present",NA,NA
+"10730","1-[Diethoxyphosphoryl(phenyl)methyl]-1-(3-fluorophenyl)-3-(trifluoromethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Diethoxyphosphoryl(phenyl)methyl]-1-(3-fluorophenyl)-3-(trifluoromethyl)urea",NA,"CCOP(=O)(C(C1=CC=CC=C1)N(C2=CC(=CC=C2)F)C(=O)NC(F)(F)F)OCC","PQWRCUMFPROHTH-UHFFFAOYSA-N",385507,NA,"PDBC10730","676756","Present",NA,NA
+"10731","1-[Diethoxyphosphoryl(phenyl)methyl]-1-(p-tolyl)-3-(trifluoromethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Diethoxyphosphoryl(phenyl)methyl]-1-(p-tolyl)-3-(trifluoromethyl)urea",NA,"CCOP(=O)(C(C1=CC=CC=C1)N(C2=CC=C(C=C2)C)C(=O)NC(F)(F)F)OCC","FTDIXDZXNSKOGL-UHFFFAOYSA-N",385504,NA,"PDBC10731","676753","Present",NA,NA
+"10732","1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)-3-(trifluoromethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-fluorophenyl)-3-(trifluoromethyl)urea",NA,"CCOP(=O)(C(C1=CC=C(C=C1)F)N(C2=CC=C(C=C2)F)C(=O)NC(F)(F)F)OCC","XWBZSOMNSYHMQR-UHFFFAOYSA-N",385506,NA,"PDBC10732","676755","Present",NA,NA
+"10733","1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)urea",NA,"CCOP(=O)(C(C1=CC=C(C=C1)F)N(C2=CC=C(C=C2)OC)C(=O)NC(F)(F)F)OCC","WZGFUJSQNBJYSD-UHFFFAOYSA-N",385508,NA,"PDBC10733","676757","Present",NA,NA
+"10734","1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Diethoxyphosphoryl-(4-fluorophenyl)methyl]-3-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]urea",NA,"CCOP(=O)(C(C1=CC=C(C=C1)F)N(C2=CC=CC(=C2)C(F)(F)F)C(=O)NC(F)(F)F)OCC","WWYZAZKNHAVKOS-UHFFFAOYSA-N",385505,NA,"PDBC10734","676754","Present",NA,NA
+"10735","1-[Ethyl(methyl)phosphoryl]ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Ethyl(methyl)phosphoryl]ethane",NA,"CCP(=O)(C)CC","TWQSQPQSQXIKOD-UHFFFAOYSA-N",357600,NA,"PDBC10735","617072","Present",NA,NA
+"10736","1-[Methoxy(methyl)phosphoryl]-2-phenyl-ethanamine; picric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[Methoxy(methyl)phosphoryl]-2-phenyl-ethanamine; picric acid",NA,"COP(=O)(C)C(CC1=CC=CC=C1)N.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","QCIKLIIZDFKDKH-UHFFFAOYSA-N",382234,NA,"PDBC10736","669689","Present",NA,NA
+"10737","1-[N'-[2-[(6-Methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[N'-[2-[(6-Methoxyquinolin-8-yl)amino]ethyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride",NA,"CC(C)N=C(N)NC(=NCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl","IIBDTHHSRQRWAP-UHFFFAOYSA-N",54611977,NA,"PDBC10737","56591","Present",NA,NA
+"10738","1-[N'-[3-[(6-Methoxyquinolin-8-yl)amino]propyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[N'-[3-[(6-Methoxyquinolin-8-yl)amino]propyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride",NA,"CC(C)N=C(N)NC(=NCCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl","OXKBOWXGCSENSA-UHFFFAOYSA-N",54599371,NA,"PDBC10738","54848","Present",NA,NA
+"10739","1-[N'-[4-[(6-Methoxyquinolin-8-yl)amino]butyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[N'-[4-[(6-Methoxyquinolin-8-yl)amino]butyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride",NA,"CC(C)N=C(N)NC(=NCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl","RJEVQWXLXOTZLF-UHFFFAOYSA-N",54601442,NA,"PDBC10739","53861","Present",NA,NA
+"10740","1-[N'-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[N'-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]carbamimidoyl]-2-propan-2-ylguanidine;hydrochloride",NA,"CC(C)N=C(N)NC(=NCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2)N.Cl","JQJHLCZCRMGVQY-UHFFFAOYSA-N",54605283,NA,"PDBC10740","54849","Present",NA,NA
+"10741","1-[[(1S,3R)-3-(Hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]-5-iodopyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[(1s,3r)-3-(Hydroxymethyl)-2,2,3-trimethyl-cyclopentyl]methyl]-5-iodo-pyrimidine-2,4-dione",NA,"CC1(C(CCC1(C)CO)CN2C=C(C(=O)NC2=O)I)C","DPWIQIXLUOYBNT-OTYXRUKQSA-N",395608,NA,"PDBC10741","700353","Present",NA,NA
+"10742","1-[[(1S,3R)-3-(Hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[(1s,3r)-3-(Hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl}pyrimidine-2,4(1h,3h)-dione",NA,"CC1(C(CCC1(C)CO)CN2C=CC(=O)NC2=O)C","OUGUUXYZVGAXGE-YGRLFVJLSA-N",395607,NA,"PDBC10742","700352","Present",NA,NA
+"10743","1-[[(2,5-Dioxo-4-phenyl-piperazin-1-yl)amino]methylamino]-4-phenyl-piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[(2,5-Dioxo-4-phenyl-piperazin-1-yl)amino]methylamino]-4-phenyl-piperazine-2,5-dione",NA,"C1C(=O)N(CC(=O)N1C2=CC=CC=C2)NCNN3CC(=O)N(CC3=O)C4=CC=CC=C4","GFMOXJTUIZVABH-UHFFFAOYSA-N",376334,NA,"PDBC10743","657166","Present",NA,NA
+"10744","1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-(diethoxyphosphorylmethyl)cyclobutanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-(diethoxyphosphorylmethyl)cyclobutanol",NA,"CCOP(=O)(CC1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)O)OCC","MUNNQJHPDKYJBH-UHFFFAOYSA-N",385293,NA,"PDBC10744","676405","Present",NA,NA
+"10745","1-[[1-(2,4-Dichlorophenyl)-2-imidazol-1-yl-ethoxy]methyl]-2-methyl-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[1-(2,4-Dichlorophenyl)-2-imidazol-1-yl-ethoxy]methyl]-2-methyl-benzimidazole",NA,"CC1=NC2=CC=CC=C2N1COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl","AUKATFAJZHBGOB-UHFFFAOYSA-N",387862,NA,"PDBC10745","682073","Present",NA,NA
+"10746","1-[[1-(4-Chlorophenyl)-2,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrol-3-yl]methyl]-4-methyl-piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[1-(4-Chlorophenyl)-2,5-dimethyl-4-[(4-methylpiperazin-1-yl)methyl]pyrrol-3-yl]methyl]-4-methylpiperazine",NA,"CC1=C(C(=C(N1C2=CC=C(C=C2)Cl)C)CN3CCN(CC3)C)CN4CCN(CC4)C","GMJGLTDBXPXVRV-UHFFFAOYSA-N",388903,NA,"PDBC10746","684135","Present",NA,NA
+"10747","1-[[1-(4-Hydroxybutyl)triazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[1-(4-Hydroxybutyl)triazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-ol",NA,"C1=C(N=NN1CCCCO)CN2C3=C(C=N2)C(=O)NC=N3","IHBTUSVFVRVCHT-UHFFFAOYSA-N",135426596,NA,"PDBC10747","703067","Present",NA,NA
+"10748","1-[[1-(Hydroxymethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[1-(Hydroxymethyl)cyclobutyl]methyl]-1,2,4-triazole-3-carboxamide",NA,"C1CC(C1)(CN2C=NC(=N2)C(=O)N)CO","QXDSLOBEQXRNHY-UHFFFAOYSA-N",385286,NA,"PDBC10748","676397","Present",NA,NA
+"10749","1-[[1-(Hydroxymethyl)cyclobutyl]methyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[1-(Hydroxymethyl)cyclobutyl]methyl]pyrimidine-2,4-dione",NA,"C1CC(C1)(CN2C=CC(=O)NC2=O)CO","JCDAPZYSDFNFHT-UHFFFAOYSA-N",385296,NA,"PDBC10749","676408","Present",NA,NA
+"10750","1-[[1-(Hydroxymethyl)cyclopentyl]methyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[1-(Hydroxymethyl)cyclopentyl]methyl]pyrimidine-2,4-dione",NA,"C1CCC(C1)(CN2C=CC(=O)NC2=O)CO","XRMLZSMDIODHLH-UHFFFAOYSA-N",385298,NA,"PDBC10750","676410","Present",NA,NA
+"10751","1-[[1-[(2,3-Dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[(4-Aminopyrazolo[5,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,"C1=C(N=NN1COCC(CO)O)CN2C3=NC=NC(=C3C=N2)N","DIVFBQJZPAOWBQ-UHFFFAOYSA-N",398131,NA,"PDBC10751","707558","Present",NA,NA
+"10752","1-[[1-[(2,3-Dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[1-(2,3-Dihydroxypropoxymethyl)triazol-4-yl]methyl]-2h-pyrazolo[4,5-e]pyrimidin-4-one",NA,"C1=C(N=NN1COCC(CO)O)CN2C3=C(C=N2)C(=O)NC=N3","OEYCQAXMWSWUDM-UHFFFAOYSA-N",135426692,NA,"PDBC10752","707562","Present",NA,NA
+"10753","1-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)CC2=CN(N=N2)CC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O","PWTMFXHNZGBADU-UHFFFAOYSA-N",392016,NA,"PDBC10753","691815","Present",NA,NA
+"10754","1-[[2-(2-Hydroxyethyl)phenyl]methyl]-5-methyl-2-thioxo-pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-(2-Hydroxyethyl)phenyl]methyl]-5-methyl-2-thioxo-pyrimidin-4-one",NA,"CC1=CN(C(=S)NC1=O)CC2=CC=CC=C2CCO","YYZREELCVALACS-UHFFFAOYSA-N",3004306,NA,"PDBC10754","644205","Present",NA,NA
+"10755","1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-ethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-ethylthiourea",NA,"CCNC(=S)NNC(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3","UHRWCJOWMMXSOO-UHFFFAOYSA-N",5471977,NA,"PDBC10755","715711","Present",NA,NA
+"10756","1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-3-phenylthiourea",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC(=S)NC4=CC=CC=C4","BHJCIQCBNDURIW-UHFFFAOYSA-N",5471979,NA,"PDBC10756","715724","Present",NA,NA
+"10757","1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-fluorophenyl)thiourea",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)F","ASUVCVCDKFYQLY-UHFFFAOYSA-N",3000818,NA,"PDBC10757","691523","Present",NA,NA
+"10758","1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-nitrophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(4-nitrophenyl)thiourea",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]","IAKXPOKHOMGJAF-UHFFFAOYSA-N",3493952,NA,"PDBC10758","691525","Present",NA,NA
+"10759","1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(p-tolyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-(p-tolyl)thiourea",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC3=CC=C(C=C3)C","HNOUEDWYNOHFER-UHFFFAOYSA-N",3005876,NA,"PDBC10759","691524","Present",NA,NA
+"10760","1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-methyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-(3-Ethyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-3-methyl-thiourea",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NNC(=S)NC","CHUCPMFZDBBVJU-UHFFFAOYSA-N",3000816,NA,"PDBC10760","691521","Present",NA,NA
+"10761","1-[[2-(4-Chlorophenyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-(4-Chlorophenyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride",NA,"C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=C(C=C5)Cl.Cl","XWNZYGQCXBJZOG-UHFFFAOYSA-N",400874,NA,"PDBC10761","713551","Present",NA,NA
+"10762","1-[[2-(4-Methoxyphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[2-(4-Methoxyphenyl)-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine",NA,"COC1=CC=C(C=C1)C2=NC3=C(N2CC4CCCN5C4CCCC5)C=CC(=C3)C(F)(F)F","NYJQZRBPKNCCPF-UHFFFAOYSA-N",400876,NA,"PDBC10762","713552","Present",NA,NA
+"10763","1-[[2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-thiourea",NA,"C1CCC(CC1)NC(=S)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","KEEJCPSNKPTIIZ-UHFFFAOYSA-N",3001650,NA,"PDBC10763","698983","Present",NA,NA
+"10764","1-[[2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetyl]amino]-3-cyclohexyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)acetyl)-N-cyclohexylhydrazinecarboxamide",NA,"C1CCC(CC1)NC(=O)NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","WYTGXEYOXLDKQZ-UHFFFAOYSA-N",394894,NA,"PDBC10764","698985","Present",NA,NA
+"10765","1-[[2-(Chloromethyl)phenyl]methyl]-5-nitro-2H-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-(Chloromethyl)phenyl]methyl]-5-nitro-2H-indazol-3-one",NA,"C1=CC=C(C(=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2)CCl","LMSVNBPLEMOWBR-UHFFFAOYSA-N",384994,NA,"PDBC10765","675821","Present",NA,NA
+"10766","1-[[2-Phenyl-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[2-Phenyl-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine hydrochloride",NA,"C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=CC=C5.Cl","UWECIZBUMZRNQD-UHFFFAOYSA-N",400872,NA,"PDBC10766","713550","Present",NA,NA
+"10767","1-[[2-[(3,4-Dichlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[2-(3,4-Dichlorobenzyl)-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine",NA,"C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3CC5=CC(=C(C=C5)Cl)Cl","UCPNERUEYRHMHX-UHFFFAOYSA-N",400869,NA,"PDBC10767","713547","Present",NA,NA
+"10768","1-[[2-[(4-Chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[2-(4-Chlorobenzyl)-5-(trifluoromethyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine",NA,"C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3CC5=CC=C(C=C5)Cl","IZLWCYZKYDWQIK-UHFFFAOYSA-N",400868,NA,"PDBC10768","713546","Present",NA,NA
+"10769","1-[[2-[[2-[[2-[[2-[(2-Amino-3-phenyl-propanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]amino]cyclopentanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-[[2-[[2-[[2-[(2-Amino-3-phenylpropanoyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylprop",NA,"CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)N)OC(C)(C)C","ZMGKWCJTPNHVGJ-UHFFFAOYSA-N",495912,NA,"PDBC10769","672664","Present",NA,NA
+"10770","1-[[3,4-Bis(phenylmethoxy)phenyl]methyl]-7-hydroxy-6-methoxy-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3,4-Bis(phenylmethoxy)phenyl]methyl]-7-hydroxy-6-methoxy-N-(2-phenylethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide",NA,"COC1=C(C=C2C(N(CCC2=C1)C(=O)NCCC3=CC=CC=C3)CC4=CC(=C(C=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)O","AOYNMCPNILHRRY-UHFFFAOYSA-N",398849,NA,"PDBC10770","709001","Present",NA,NA
+"10771","1-[[3,5-Bis(hydroxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxymethyl]-3-(hydroxymethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3,5-Bis(hydroxymethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]methoxymethyl]-3-(hydroxymethyl)urea",NA,"C(NC(=O)NCOCN1C(=O)N(C(=O)N(C1=O)CO)CO)O","PITHXAIPACLKNH-UHFFFAOYSA-N",370119,NA,"PDBC10771","642710","Present",NA,NA
+"10772","1-[[3,5-Dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-5-[[2-(diethylamino)acetyl]amino]triazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3,5-Dichloro-4-(4-chlorobenzoyl)phenyl]methyl]-5-[[2-(diethylamino)acetyl]amino]triazole-4-carboxamide",NA,"CCN(CC)CC(=O)NC1=C(N=NN1CC2=CC(=C(C(=C2)Cl)C(=O)C3=CC=C(C=C3)Cl)Cl)C(=O)N","KNFGAMLXOGQFLD-UHFFFAOYSA-N",390132,NA,"PDBC10772","687158","Present",NA,NA
+"10773","1-[[3-(2-Hydroxyethoxymethyl)triazol-4-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[(1-(2-hydroxyethoxy)methyl)-1,2,3-triazol-5-yl]methy...",NA,"C1=C(N(N=N1)COCCO)CN2C3=C(C=N2)C(=O)NC=N3","GXRPQQQVPCZZAQ-UHFFFAOYSA-N",135417268,NA,"PDBC10773","710507","Present",NA,NA
+"10774","1-[[3-(Acryloylamino)propionyloxy]methyl]-5-fluorouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3-(Acryloylamino)propionyloxy]methyl]-5-fluorouracil",NA,"C=CC(=O)NCCC(=O)OCN1C=C(C(=O)NC1=O)F","RSKCDMAFLRMJRQ-UHFFFAOYSA-N",402478,NA,"PDBC10774","716503","Present",NA,NA
+"10775","1-[[3-(Carbamimidoylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3-(Carbamimidoylhydrazono)-2,2,4,4-tetramethyl-cyclobutylidene]amino]guanidine",NA,"CC1(C(=NN=C(N)N)C(C1=NN=C(N)N)(C)C)C","QDWZLSCOURVZKL-UHFFFAOYSA-N",369739,NA,"PDBC10775","641833","Present",NA,NA
+"10776","1-[[3-(Trifluoromethyl)phenyl]amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3-(Trifluoromethyl)phenyl]amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1CC2=C(C3=NC4=CC=CC=C4N3C(=C2C1)NC5=CC=CC(=C5)C(F)(F)F)C#N","BHCLQMBXONRBLZ-UHFFFAOYSA-N",395406,NA,"PDBC10776","699942","Present",NA,NA
+"10777","1-[[3-(Trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3-(Trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2)NC5=CC=CC(=C5)C(F)(F)F)C#N","FIHHQRUFLJZGCH-UHFFFAOYSA-N",395410,NA,"PDBC10777","699946","Present",NA,NA
+"10778","1-[[3-Benzyl-1-(hydroxymethyl)cyclobutyl]methyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3-Benzyl-1-(hydroxymethyl)cyclobutyl]methyl]pyrimidine-2,4-dione",NA,"C1C(CC1(CN2C=CC(=O)NC2=O)CO)CC3=CC=CC=C3","XLSRPOSEXVGMBP-UHFFFAOYSA-N",385297,NA,"PDBC10778","676409","Present",NA,NA
+"10779","1-[[3-[2-(Diaminomethylidene)hydrazinyl]-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-6-yl]imino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3-[2-(Diaminomethylidene)hydrazinyl]-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaen-6-yl]imino]guanidine;hydrochloride",NA,"C1=CC(=C2C(=C1NN=C(N)N)C3=C(C=N2)N4C=CSC4=N3)N=NC(=N)N.Cl","LMPAOPKRSKUSJG-UHFFFAOYSA-N",24202942,NA,"PDBC10779","726316","Present",NA,NA
+"10780","1-[[3-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[3-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)CC2=CN=NN2CC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O","IYUPOZSQTUXBPV-UHFFFAOYSA-N",392010,NA,"PDBC10780","691809","Present",NA,NA
+"10781","1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-4-aminopyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-4-aminopyrimidin-2-one",NA,"C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=CC(=NC5=O)N)O","CNVKJYIMHGISTI-UHFFFAOYSA-N",45027978,NA,"PDBC10781","740414","Present",NA,NA
+"10782","1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-5-fluoropyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-5-fluoropyrimidine-2,4-dione",NA,"C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=C(C(=O)NC5=O)F)O","QZMFOPWXJWQLGD-UHFFFAOYSA-N",45027976,NA,"PDBC10782","740412","Present",NA,NA
+"10783","1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-5-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[4-(1-Adamantyl)-3-hydroxyphenyl]methyl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)CC2=CC(=C(C=C2)C34CC5CC(C3)CC(C5)C4)O","NUUVARQCGUGAHF-UHFFFAOYSA-N",45027975,NA,"PDBC10783","740411","Present",NA,NA
+"10784","1-[[4-(5-Methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-[1-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-4-yl]piperidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[4-(5-Methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-[1-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-4-yl]piperidine;hydrochloride",NA,"CC1CN=C(N1)C2=CC=C(C=C2)CN3CCC(CC3)C4CCN(CC4)CC5=CC=C(C=C5)C6=NCC(N6)C.Cl","IACXALXANUDNJM-UHFFFAOYSA-N",400413,NA,"PDBC10784","711989","Present",NA,NA
+"10785","1-[[4-(5-Methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-[3-[1-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-4-yl]propyl]piperidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[4-(5-Methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-[3-[1-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]piperidin-4-yl]propyl]piperidine;hydrochloride",NA,"CC1CN=C(N1)C2=CC=C(C=C2)CN3CCC(CC3)CCCC4CCN(CC4)CC5=CC=C(C=C5)C6=NCC(N6)C.Cl","UFMWMBXJDFBGCB-UHFFFAOYSA-N",402802,NA,"PDBC10785","717052","Present",NA,NA
+"10786","1-[[4-Amino-5-[8-[4-amino-5-[(2-hydroxy-1-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[4-Amino-5-[8-[4-amino-5-[(2-hydroxynaphthalen-1-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol",NA,"C1=CC=C2C(=C1)C=CC(=C2OCC3=NN=C(N3N)CCCCCCCCC4=NN=C(N4N)COC5=C(C=CC6=CC=CC=C65)O)O","NUXQTLBRCMZPEU-UHFFFAOYSA-N",394045,NA,"PDBC10786","697163","Present",NA,NA
+"10787","1-[[4-Anilino-5-[8-[4-anilino-5-[(2-hydroxy-1-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[4-Anilino-5-[8-[4-anilino-5-[(2-hydroxynaphthalen-1-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-2-ol",NA,"C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C=CC4=CC=CC=C43)O)CCCCCCCCC5=NN=C(N5NC6=CC=CC=C6)COC7=C(C=CC8=CC=CC=C87)O","LNDVDGHWVHFAEB-UHFFFAOYSA-N",394050,NA,"PDBC10787","697168","Present",NA,NA
+"10788","1-[[4-[(4-Carbamoylpiperidin-1-yl)methyl]-2,3,5,6-tetrachlorophenyl]methyl]piperidine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[4-[(4-Carbamoylpiperidin-1-yl)methyl]-2,3,5,6-tetrachlorophenyl]methyl]piperidine-4-carboxamide;hydrochloride",NA,"C1CN(CCC1C(=O)N)CC2=C(C(=C(C(=C2Cl)Cl)CN3CCC(CC3)C(=O)N)Cl)Cl.Cl","JYOCKKPVOWTKIT-UHFFFAOYSA-N",401315,NA,"PDBC10788","714618","Present",NA,NA
+"10789","1-[[5,6-Dichloro-2-[(3,4-dichlorophenyl)methyl]benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[5,6-Dichloro-2-(3,4-dichlorobenzyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine",NA,"C1CCN2CCCC(C2C1)CN3C4=CC(=C(C=C4N=C3CC5=CC(=C(C=C5)Cl)Cl)Cl)Cl","FCEWISVPFUXPPJ-UHFFFAOYSA-N",400871,NA,"PDBC10789","713549","Present",NA,NA
+"10790","1-[[5,6-Dichloro-2-[(4-chlorophenyl)methyl]benzimidazol-1-yl]methyl]-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[5,6-Dichloro-2-(4-chlorobenzyl)-1h-benzimidazol-1-yl]methyl}octahydro-2h-quinolizine",NA,"C1CCN2CCCC(C2C1)CN3C4=CC(=C(C=C4N=C3CC5=CC=C(C=C5)Cl)Cl)Cl","YMHLYVNMSKUMPA-UHFFFAOYSA-N",400870,NA,"PDBC10790","713548","Present",NA,NA
+"10791","1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-ethyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-ethyl-urea",NA,"CCNC(=O)NNC1=C2C(=CN(C2=NC=N1)C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl","QHBSSPKZAXAUCM-UHFFFAOYSA-N",380846,NA,"PDBC10791","666585","Present",NA,NA
+"10792","1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-methyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[5-(4-Chlorophenyl)-7-(p-tolyl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]-3-methyl-thiourea",NA,"CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NNC(=S)NC)C4=CC=C(C=C4)Cl","DJIKSNHKQYWDTR-UHFFFAOYSA-N",3001720,NA,"PDBC10792","667706","Present",NA,NA
+"10793","1-[[5-[8-[5-[(2-Hydroxy-1-naphthyl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[5-[8-[5-[(2-Hydroxynaphthalen-1-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-2-ol",NA,"C1=CC=C2C(=C1)C=CC(=C2OCC3=NN=C(O3)CCCCCCCCC4=NN=C(O4)COC5=C(C=CC6=CC=CC=C65)O)O","UPLMSLXEWJXWCO-UHFFFAOYSA-N",394040,NA,"PDBC10793","697158","Present",NA,NA
+"10794","1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid 2-ethoxyethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid 2-ethoxyethyl ester",NA,"CCOCCOC(=O)C1CCC(=O)N1CN(C2=C(C=CC(=C2)OC)OC)C(=O)C","MTIZIENTPWKXLU-UHFFFAOYSA-N",389184,NA,"PDBC10794","684868","Present",NA,NA
+"10795","1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[Acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)OC)C2=C(C=CC(=C2)OC)OC","PXJHNACNUGYORM-UHFFFAOYSA-N",389181,NA,"PDBC10795","684865","Present",NA,NA
+"10796","1-[[Acetyl(2-chlorophenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[Acetyl(2-chlorophenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)OC)C2=CC=CC=C2Cl","KNXINTKZSLUNCY-UHFFFAOYSA-N",389183,NA,"PDBC10796","684867","Present",NA,NA
+"10797","1-[[Acetyl(3-hydroxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[Acetyl(3-hydroxyphenyl)amino]methyl]-5-oxopyrrolidine-2-carboxylic acid methyl ester",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)OC)C2=CC(=CC=C2)O","QYNQYVYDOIWELF-UHFFFAOYSA-N",389182,NA,"PDBC10797","684866","Present",NA,NA
+"10798","1-[[Phenyl(4-chlorophenyl)methylene]amino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[Phenyl(4-chlorophenyl)methylene]amino]guanidine",NA,"C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=C(C=C2)Cl","DGYCGNBYYCUOGA-AQTBWJFISA-N",5356780,NA,"PDBC10798","66301","Present",NA,NA
+"10799","1-[[[(Benzofuran-2-yl)carbonyl)amino]-1-H-indol-2-yl]carbonyl]-3-chloromethyl-6-nitroindoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[[(Benzofuran-2-yl)carbonyl)amino]-1-H-indol-2-yl]car...",NA,"C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C=C2)[N+](=O)[O-])CCl","BTDMGFMUVHUHJK-UHFFFAOYSA-N",5470091,NA,"PDBC10799","697538","Present",NA,NA
+"10800","1-[[[2,5-Dioxo-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]amino]methylamino]-4-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-((((2,5-Dioxo-4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)amino)methyl)amino)-4-(3-(trifluoromethyl)phenyl)-2,5-piperazinedione",NA,"C1C(=O)N(CC(=O)N1C2=CC=CC(=C2)C(F)(F)F)NCNN3CC(=O)N(CC3=O)C4=CC=CC(=C4)C(F)(F)F","NNPNNNXAZQAKOD-UHFFFAOYSA-N",376336,NA,"PDBC10800","657168","Present",NA,NA
+"10801","1-[[[2-(1H-Indole-3-yl)ethyl]thiocarbamoyl]methyl]-5-methylpyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[[2-(1H-Indole-3-yl)ethyl]thiocarbamoyl]methyl]-5-methylpyrimidine-2,4(1H,3H)-dione",NA,"CC1=CN(C(=O)NC1=O)CC(=S)NCCC2=CNC3=CC=CC=C32","BKQNJMJREZUSMX-UHFFFAOYSA-N",5471196,NA,"PDBC10801","709421","Present",NA,NA
+"10802","1-[alpha-(Phenylacetylamino)-4-chlorobenzyl]naphthalene-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766728",NA,"C1=CC=C(C=C1)CC(=O)NC(C2=CC=C(C=C2)Cl)C3=C(C=CC4=CC=CC=C43)O","UANYQOUDIMIUKC-UHFFFAOYSA-N",2877048,NA,"PDBC10802","766728","Present",NA,NA
+"10803","1-[bis(4,4'-aminophenyl)methylidenyl]-[3]ferrocenophane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[bis(4,4'-aminophenyl)methylidenyl]-[3]ferrocenophane",NA,NA,NA,NA,NA,"PDBC10803","754385","Present",NA,NA
+"10804","1-[m-Anisidic anilino malonyl]-3-methyl-4-[4'-beta-sulphato ethyl sulphonyl phenyl azo]-5-pyrazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[m-Anisidic anilino malonyl]-3-methyl-4-[4'-.beta.-sul...",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O)C(=O)CC(=O)NC3=CC(=CC=C3)OC","LPUWLNVSEDDHLW-UHFFFAOYSA-N",385612,NA,"PDBC10804","676917","Present",NA,NA
+"10805","1-[m-Anisidic anilino malonyl]-3-phenyl-4-[4'-(beta-sulphato ethyl sulphonyl)phenyl azo]-5-pyrazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[m-Anisidic anilino malonyl]-3-phenyl-4-[4'-(.beta.-su...",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O","IVGSVSZOUKWIEU-UHFFFAOYSA-N",385614,NA,"PDBC10805","676919","Present",NA,NA
+"10806","1-[m-Methyl anilino malonyl]-3-(N-methyl anilino)-5-(phenyl)pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[m-Methyl anilino malonyl]-3-(N-methyl anilino)-5-(phe...",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(C)C3=CC=CC=C3)C4=CC=CC=C4","GVSXYQREVKNCSJ-UHFFFAOYSA-N",385616,NA,"PDBC10806","676921","Present",NA,NA
+"10807","1-[m-Methyl anilino malonyl]-3-methyl-4-[4'-beta-sulphato ethyl sulphonyl phenyl azo]-5-pyrazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[m-methyl anilino malonyl]-3-methyl-4-[4'-.beta.-sulph...",NA,"CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O","GVZLFFMMHWPJBX-UHFFFAOYSA-N",385611,NA,"PDBC10807","676916","Present",NA,NA
+"10808","1-[p-(2-Pyridylsulfamoyl)phenyl-2-(3-carboxy-4-hydroxy phenyl)4-butyl-3,5-dioxopyrazolidine.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[p-(2-Pyridylsulfamoyl)phenyl-2-(3-carboxy-4-hydroxy p...",NA,"CCCCC1C(=O)N(N(C1=O)C2=CC(=C(C=C2)O)C(=O)O)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4","FARDCUBSBILIPL-UHFFFAOYSA-N",389714,NA,"PDBC10808","686306","Present",NA,NA
+"10809","1-[p-Chloro-anilino malonyl]-3-phenyl, 4-[4'-(beta-sulphato ethyl sulphonyl)phenyl azo]-5-pyrazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[p-Chloro-anilino malonyl]-3-phenyl, 4-[4'-(.beta.-sul...",NA,"C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)C(=O)CC(=O)NC4=CC=C(C=C4)Cl","GCTRZMJATBBHAG-UHFFFAOYSA-N",385615,NA,"PDBC10809","676920","Present",NA,NA
+"10810","1-[p-Methyl anilino malonyl]-3-phenyl, 4-[4'-beta-sulphato ethyl sulphonyl phenyl azo]-5-pyrazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[p-methyl anilino malonyl]-3-phenyl, 4-[4'-.beta.-sulp...",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)O","IMIXQRFYYODIPK-UHFFFAOYSA-N",385613,NA,"PDBC10810","676918","Present",NA,NA
+"10811","1-[p-Methylanilinomalonyl]-3,5-dimethyl-4-[4'betasulphatoethyl sulphonyl phenyl azo]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[p-methylanilinomalonyl]-3,5-dimethyl-4-[4'.beta.sulph...",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O)C","UOZNFDQSHMLXCP-UHFFFAOYSA-N",385610,NA,"PDBC10811","676915","Present",NA,NA
+"10812","1-decarboxy-3-oxo-ceanothic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-decarboxy-3-oxo-ceanothic acid",NA,"CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(=O)C5(C)C)C)C)C(=O)O","NUDCZUBEFGYVSS-OCBSILMYSA-N",399425,NA,"PDBC10812","710207","Present",NA,NA
+"10813","1-hydroxy-2-naphthopiperidide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-hydroxy-2-naphthopiperidide",NA,"C1CCN(CC1)C(=O)C2=C(C3=CC=CC=C3C=C2)O","FQCIVXJPSZVUCI-UHFFFAOYSA-N",98661,NA,"PDBC10813","158016","Present",NA,NA
+"10814","1-m-Chloroanilino malonyl-3-indolo-5-phenyl pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-m-Chloroanilino malonyl-3-indolo-5-phenyl pyrazoline",NA,"C1C(N(N=C1N2C=CC3=CC=CC=C32)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5","ASGUZCKJRODRPP-UHFFFAOYSA-N",366995,NA,"PDBC10814","636190","Present",NA,NA
+"10815","1-m-Methoxyanilino malonyl-3-indolo-5-phenyl pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-m-Methoxyanilino malonyl-3-indolo-5-phenyl pyrazoline",NA,"COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(CC(=N2)N3C=CC4=CC=CC=C43)C5=CC=CC=C5","IRSNLNNKVRDLIV-UHFFFAOYSA-N",366994,NA,"PDBC10815","636189","Present",NA,NA
+"10816","1-methyl-3-[?]yl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-methyl-3-[?]yl-urea",NA,"CNC(=O)NC1=CC2=C3C(=C1)CCCN3CCC2","ZFFAARNDSWKVLX-UHFFFAOYSA-N",377663,NA,"PDBC10816","659244","Present",NA,NA
+"10817","1-o-Chloroanilinomalonyl-3-indolo-5-phenyl pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-o-Chloroanilinomalonyl-3-indolo-5-phenyl pyrazoline",NA,"C1C(N(N=C1N2C=CC3=CC=CC=C32)C(=O)CC(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5","XHACQZOAVNSCDG-UHFFFAOYSA-N",366993,NA,"PDBC10817","636188","Present",NA,NA
+"10818","1-p-Anisyl-3-(N,N-dimethyl-p-aminophenyl)-4,5-bis(p-anisylimino)imidazolidin-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-p-Anisyl-3-(N,N-dimethyl-p-aminophenyl)-4,5-bis(p-anis...",NA,"CN(C)C1=CC=C(C=C1)N2C(=NC3=CC=C(C=C3)OC)C(=NC4=CC=C(C=C4)OC)N(C2=S)C5=CC=C(C=C5)OC","OFQDDTLVBDRDIE-UHFFFAOYSA-N",383280,NA,"PDBC10818","671394","Present",NA,NA
+"10819","1-p-Chloroanilinomalonyl-3-indolo-5-phenylpyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-p-Chloroanilinomalonyl-3-indolo-5-phenylpyrazoline",NA,"C1C(N(N=C1N2C=CC3=CC=CC=C32)C(=O)CC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","VZKAHNOMOTTXEE-UHFFFAOYSA-N",366992,NA,"PDBC10819","636187","Present",NA,NA
+"10820","1-p-Chlorophenyl-2-thioxo-4-aminoquinolino[2,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-p-chlorophenyl-2-thioxo-4-aminoquinolino[2,3-d]pyrimidine",NA,"C1=CC=C2C(=C1)C=C3C(=NC(=S)N(C3=N2)C4=CC=C(C=C4)Cl)N","XCOXFKCLKLOBSD-UHFFFAOYSA-N",5472852,NA,"PDBC10820","722162","Present",NA,NA
+"10821","1-piperazineacetamide,4-methyl-n-1-naphthyl- (6ci)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-piperazineacetamide,4-methyl-n-1-naphthyl- (6ci)",NA,"CN1CCN(CC1)CC(=O)NC2=CC=CC3=CC=CC=C32","CMTUPMBBIOPRFL-UHFFFAOYSA-N",384500,NA,"PDBC10821","674348","Present",NA,NA
+"10822","1-piperidinecarbodithioic acid, antimony complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625495///NSC625501",NA,NA,NA,NA,NA,"PDBC10822","625495///625501","Present",NA,NA
+"10823","1-t-Buthoxycarbonyl-2-(1-piperidyl)-2'-methylthiospiro[indol ine 3,2' thiazolidine]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-t-buthoxycarbonyl-2-(1-piperidyl)-2'-methylthiospiro[i...",NA,"CC(C)(C)OC(=O)N1C(C2(CN=C(S2)SC)C3=CC=CC=C31)N4CCCCC4","WWAIZMROJKIPAL-UHFFFAOYSA-N",24205477,NA,"PDBC10823","736014","Present",NA,NA
+"10824","1-{2-[(2E)-2-(1-{3-[(3,4-Dimethylphenyl)amino]-3-oxopropyl}-4,4-dimethyl-3-oxopentylidene)hydrazino]-2-oxoethyl}pyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-N-(3,4-Dimethylphenyl)-7,7-dimethyl-6-oxo-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]octanamide;chloride",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C[N+]2=CC=CC=C2)CC(=O)C(C)(C)C)C.[Cl-]","NBYKHSPHEXRDET-XTNAOULASA-N",9574379,NA,"PDBC10824","630355","Present",NA,NA
+"10825","1-{2-[(2E)-2-(1-{3-[(4-Chloro-2-methylphenyl)amino]-3-oxopropyl}-4-methyl-3-oxopentylidene)hydrazino]-2-oxoethyl}pyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-N-(4-Chloro-2-methylphenyl)-7-methyl-6-oxo-4-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]octanamide;chloride",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=NNC(=O)C[N+]2=CC=CC=C2)CC(=O)C(C)C.[Cl-]","UAKQUTAMVCSIEY-MGXPCBRFSA-N",9555800,NA,"PDBC10825","630354","Present",NA,NA
+"10826","1-{2-[(2E)-2-(5-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-1-{[(6-nitro-1,3-benzothiazol-2-yl)amino]carbonyl}-3-oxo-5-phenylpentylidene)hydrazino]-2-oxoethyl}pyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-6-(4-Hydroxy-2-oxochromen-3-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)-4-oxo-6-phenyl-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]hexanamide;chloride",NA,"C1=CC=C(C=C1)C(CC(=O)CC(=NNC(=O)C[N+]2=CC=CC=C2)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C5=C(C6=CC=CC=C6OC5=O)O.[Cl-]","XEESERSVBPWKGU-UHFFFAOYSA-N",54699191,NA,"PDBC10826","647115","Present",NA,NA
+"10827","1-{2-[4-(1-Benzyl-4-chloro-2,5-dihydro-1H-3-pyrrol ylamino)phenylcarboxamido]ethyl}-3,4-dimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{2-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-py...",NA,"COC1=C(C=C(C=C1)CCNC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl)OC","KPLDBPJRFJPJDN-UHFFFAOYSA-N",1194992,NA,"PDBC10827","732832","Present",NA,NA
+"10828","1-{7-[Bis(2-chloroethyl)amino]-9h-fluoren-2-yl}-3-propylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{7-[Bis(2-chloroethyl)amino]-9h-fluoren-2-yl}-3-propylurea",NA,"CCCNC(=O)NC1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)N(CCCl)CCCl","GLJZANKYEVWKEB-UHFFFAOYSA-N",256452,NA,"PDBC10828","83327","Present",NA,NA
+"10829","1-{Ethyl 3-methylthieno[2,3-d]pyrimidin-6-thiol-2-carboxylate-4-yl}th iourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{Ethyl 3-methylthieno[2,3-d]pyrimidin-6-thiol-2-carbox...",NA,"CCOC(=O)C1=C(C2=C(NC(=S)N=C2S1)NC(=S)N)C","XOPWEUQYYHDBTL-UHFFFAOYSA-N",5473232,NA,"PDBC10829","724530","Present",NA,NA
+"10830","1-{[(1E)-1,3,4,4-Tetrachloro-2-nitro-1,3-butadienyl]sulfanyl}benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Butadiene, 1,1,2,4-tetrachloro-3-nitro-4-(phenylthio)-",NA,"C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])Cl","NIFFNYXRSDRUQE-NTMALXAHSA-N",6518457,NA,"PDBC10830","665102","Present",NA,NA
+"10831","1-{[(1R,5R,8S,12R,13R)-1,5-Dimethyl-10-(trifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl}-4-{[1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(tr ifluoromethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.0 8,13]methyl}piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[(1R,4S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluorometh...",NA,"CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)CN5CCN(CC5)CC6=C(OC7C89C6CCC(C8CCC(O7)(OO9)C)C)C(F)(F)F","DCZQSZBJFJZLCK-VOPARTLESA-N",54612639,NA,"PDBC10831","724779","Present",NA,NA
+"10832","1-{[2-(Diethylamino)ethyl]amino}-7-hydroxy-4-methyl-9H-thioxanthen-9-one--hydrogen iodide (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Thioxanthen-9-one, 1-[[2-(diethylamino)ethyl]amino]-7...",NA,"CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=C(C=C3)O.I","XNQPDXXSAUJASE-UHFFFAOYSA-N",13504750,NA,"PDBC10832","317921","Present",NA,NA
+"10833","1-{[3-Chloro-4-(fluorosulfonyl)phenyl]methyl}-3-[2-(3,4-dichlorophenoxy)acetamido]pyridin-1-ium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[3-[[2-(3,4-dichlorophenoxy)acetyl]amino]pyridin-1-ium-1-yl]methyl]benzenesulfonyl fluoride;bromide",NA,"C1=CC(=C[N+](=C1)CC2=CC(=C(C=C2)S(=O)(=O)F)Cl)NC(=O)COC3=CC(=C(C=C3)Cl)Cl.[Br-]","LGNTXNBVFLSKEV-UHFFFAOYSA-N",24196248,NA,"PDBC10833","212068","Present",NA,NA
+"10834","1.7.10.16-Tetraoxa-4,13-diazacyclooctadecanetetrachloro-platinum(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1.7.10.16-Tetraoxa-4,13-diazacyclooctadecanetetrachloro-...",NA,"C1C[OH+]CC[OH+]CCNCC[OH+]CC[OH+]CCN1.[Cl-].[Pt+4]","LAEKARBUNULPBR-UHFFFAOYSA-Q",54608587,NA,"PDBC10834","632872","Present",NA,NA
+"10835","1.8-DIPHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,2-b]TRIAZINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1.8-DIPHENYL-3-BENZOYL-6-OXOPYRAZOLO[3,4-e]pyrimidino[1,...",NA,"C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=C4C(=N3)C(=NN4C5=CC=CC=C5)C(=O)C6=CC=CC=C6","MWQNNEIFECLINR-UHFFFAOYSA-N",45028001,NA,"PDBC10835","740551","Present",NA,NA
+"10836","1.alpha.,2.alpha.-epxoyscillirosidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1.alpha.,2.alpha.-epxoyscillirosidin",NA,"CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(C6C5O6)O)C)O","PQPYOTABGNYENP-UHFFFAOYSA-N",272581,NA,"PDBC10836","117180","Present",NA,NA
+"10837","10(4-Chloro phenyl)-3-(4-methyl piperazin-1-yl)phenazin-2(10H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10(4-Chloro phenyl)-3-(4-methyl piperazin-1-yl)phenazin-...",NA,"CN1CCN(CC1)C2=CC3=NC4=CC=CC=C4N(C3=CC2=N)C5=CC=C(C=C5)Cl","VPIKKFBSCJWEFK-UHFFFAOYSA-N",24205416,NA,"PDBC10837","735465","Present",NA,NA
+"10838","10,10',24,24'-Tetratert-butyl-4,4'-spirobi[2,6-dioxa-14,17,20-triazatricyclo[20.4.0.07,12]hexacosa-1(22),7(12),8,10,23,25-hexaene]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,10',24,24'-Tetratert-butyl-4,4'-spirobi[2,6-dioxa-14,17,20-triazatricyclo[20.4.0.07,12]hexacosa-1(22),7(12),8,10,23,25-hexaene]",NA,"CC(C)(C)C1=CC2=C(C=C1)OCC3(COC4=C(CNCCNCCNC2)C=C(C=C4)C(C)(C)C)COC5=C(CNCCNCCNCC6=C(C=CC(=C6)C(C)(C)C)OC3)C=C(C=C5)C(C)(C)C","JLCICKODKOLSQG-UHFFFAOYSA-N",391027,NA,"PDBC10838","689450","Present",NA,NA
+"10839","10,10'-Spirobi[5H-phenophosphazinin-10-ium];chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666489",NA,"C1=CC=C2C(=C1)NC3=CC=CC=C3[P+]24C5=CC=CC=C5NC6=CC=CC=C46.[Cl-]","CHTGOEKFXVDVQP-UHFFFAOYSA-M",380778,NA,"PDBC10839","666489","Present",NA,NA
+"10840","10,10-Dibromoanthracen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,10-Dibromo-9(10H)-anthracenone",NA,"C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3C2(Br)Br","LVGLBCQZYRCDFB-UHFFFAOYSA-N",362108,NA,"PDBC10840","625637","Present",NA,NA
+"10841","10,10-Dichlorophenanthren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC6339",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(C2=O)(Cl)Cl","QANSXTMDJJDZDU-UHFFFAOYSA-N",221527,NA,"PDBC10841","6339","Present",NA,NA
+"10842","10,10-Dimethyloctahydro-6,8b-ethanocyclopenta[de]isochromene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quadrone",NA,"CC1(CC23C4CCC1C2CC(=O)C3COC4=O)C","BBIDMUQZCCGABN-UHFFFAOYSA-N",197204,NA,"PDBC10842","284437","Present",NA,NA
+"10843","10,11-Dibromo-5H-dibenzo(A,D)cyclohepten-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,11-Dibromo-5H-dibenzo(A,D)cyclohepten-5-one",NA,"C1=CC=C2C(=C1)C(=C(C3=CC=CC=C3C2=O)Br)Br","RALNTXVWKBRYDU-UHFFFAOYSA-N",339483,NA,"PDBC10843","366220","Present",NA,NA
+"10844","10,11-Dihydropyrimido[1,2-a]perimidin-9(7H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,11-Dihydropyrimido[1,2-a]perimidin-9(7H)-one",NA,"C1CN2C3=CC=CC4=C3C(=CC=C4)NC2=NC1=O","QRSYZKHUGDLCAB-UHFFFAOYSA-N",369000,NA,"PDBC10844","640520","Present",NA,NA
+"10845","10,11-Dihydroxy-12-oxa-2,4,7-triazatricyclo[7.2.1.02,6]dodeca-3,5-diene-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,11-Dihydroxy-12-oxa-2,4,7-triazatricyclo[7.2.1.02,6]dodeca-3,5-diene-5-carboxamide",NA,"C1C2C(C(C(O2)N3C=NC(=C3N1)C(=O)N)O)O","OOELRVWZYQGNHL-UHFFFAOYSA-N",359914,NA,"PDBC10845","621610","Present",NA,NA
+"10846","10,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CC1=C2C(=CC=C1)C3=C(N2C)C4=C(C=C3)C(=O)C=CC4=O","HWLUVKAIGDZJOH-UHFFFAOYSA-N",372652,NA,"PDBC10846","648149","Present",NA,NA
+"10847","10,11-Methylenedioxy-20(RS)-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,11-Methylenedioxy-20(RS)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)O","RPFYDENHBPRCTN-UHFFFAOYSA-N",366358,NA,"PDBC10847","606174","Present",NA,NA
+"10848","10,11-Methylenedioxy-20S-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,11-methylenedioxycamptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)O","RPFYDENHBPRCTN-NRFANRHFSA-N",72403,NA,"PDBC10848","634724","Present",NA,NA
+"10849","10,13,28,31-Tetraoxapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),4,6,8,14,16,18,22,24,26,32,34-dodecaen-2,20-diyne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,13,28,31-Tetraoxapentacyclo[30.4.0.04,9.014,19.022,27]hexatriaconta-1(36),4,6,8,14,16,18,22,24,26,32,34-dodecaen-2,20-diyne",NA,"C1COC2=CC=CC=C2C#CC3=CC=CC=C3OCCOC4=CC=CC=C4C#CC5=CC=CC=C5O1","FHYLKFGCTQRGOE-UHFFFAOYSA-N",397893,NA,"PDBC10849","706808","Present",NA,NA
+"10850","10,13-Bis((4-methylphenyl)sulfonyl)-1,4,7-trithia-10,13-diazacyclopentadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,13-Bis((4-methylphenyl)sulfonyl)-1,4,7-trithia-10,13-diazacyclopentadecane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCSCCSCC2)S(=O)(=O)C3=CC=C(C=C3)C","WWDLYSAXDFIIDI-UHFFFAOYSA-N",373830,NA,"PDBC10850","650793","Present",NA,NA
+"10851","10,13-Dimethyl-17-[2-(6-methylsulfanylpurin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,13-dimethyl-17-(2-(6-(methylthio)-9H-purin-9-yl)acety...",NA,"CC12CCC3C(C1CCC2C(=O)CN4C=NC5=C4N=CN=C5SC)CCC6=CC(=O)CCC36C","ROIIRSXXBFLNGZ-UHFFFAOYSA-N",268748,NA,"PDBC10851","109131","Present",NA,NA
+"10852","10,13-Dimethyl-17-[2-(6-sulfanylidene-3H-purin-9-yl)acetyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"21-(6-mercapto-9H-purin-9-yl)pregn-4-ene-3,20-dione",NA,"CC12CCC3C(C1CCC2C(=O)CN4C=NC5=C4NC=NC5=S)CCC6=CC(=O)CCC36C","UWSZBXUQILDRMN-UHFFFAOYSA-N",5179836,NA,"PDBC10852","114792","Present",NA,NA
+"10853","10,14-Dimethyl-1,3,12,14-tetraza-10-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-4,6,8,10,12,15,17,19-octaene;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,14-Dimethyl-1,3,12,14-tetraza-10-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-4,6,8,10,12,15,17,19-octaene;iodide",NA,"CN1C2=CC=CC=C2N3C1=NC4=[N+](C5=CC=CC=C5N4C3)C.[I-]","LIGHSJVWPOLLTC-UHFFFAOYSA-M",404657,NA,"PDBC10853","721082","Present",NA,NA
+"10854","10,14-Dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4,6,8,11,15,17,19-octaene;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,14-Dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4,6,8,11,15,17,19-octaene;iodide",NA,"C1N2C3=CC=CC=C3SC2=NC4=[N+]1C5=CC=CC=C5S4.[I-]","AJWIBMAGPHEGHU-UHFFFAOYSA-M",404659,NA,"PDBC10854","721083","Present",NA,NA
+"10855","10,16-Dibromo-2,14-diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,16-Dibromo-2,14-diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide",NA,"C1N2C=C(C3=CC=CC=C3C2=NC4=[N+]1C=C(C5=CC=CC=C54)Br)Br.[I-]","ADTCHPRGRVJTBH-UHFFFAOYSA-M",404655,NA,"PDBC10855","721081","Present",NA,NA
+"10856","10,18-Dioxa-2,26,32-triazapentacyclo[25.2.2.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,12(32),13,15,19,21,23,25,27(31),28-tetradecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,18-Dioxa-2,26,32-triazapentacyclo[25.2.2.112,16.04,9.019,24]dotriaconta-1(30),2,4,6,8,12(32),13,15,19,21,23,25,27(31),28-tetradecaene",NA,"C1C2=NC(=CC=C2)COC3=CC=CC=C3C=NC4=CC=C(C=C4)N=CC5=CC=CC=C5O1","MWNGRIIXXJKINO-UHFFFAOYSA-N",388223,NA,"PDBC10856","682816","Present",NA,NA
+"10857","10,18-Dioxa-2,26,32-triazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(31),2,4,6,8,12(32),13,15,19,21,23,25,27,29-tetradecaene-29-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,18-Dioxa-2,26,32-triazapentacyclo[25.3.1.112,16.04,9.019,24]dotriaconta-1(31),2,4,6,8,12(32),13,15,19,21,23,25,27,29-tetradecaene-29-carboxylic acid",NA,"C1C2=NC(=CC=C2)COC3=CC=CC=C3C=NC4=CC(=CC(=C4)N=CC5=CC=CC=C5O1)C(=O)O","ACWTXEVTTCLOIU-UHFFFAOYSA-N",403701,NA,"PDBC10857","718892","Present",NA,NA
+"10858","10,22-Dimethoxy-12,20-dioxa-6,26,34-triazahexacyclo[25.2.2.22,5.28,11.221,24.114,18]octatriaconta-1(30),2(38),3,5(37),6,8,10,14(34),15,17,21,23,25,27(31),28,32,35-heptadecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,22-Dimethoxy-12,20-dioxa-6,26,34-triazahexacyclo[25.2.2.22,5.28,11.221,24.114,18]octatriaconta-1(30),2(38),3,5(37),6,8,10,14(34),15,17,21,23,25,27(31),28,32,35-heptadecaene",NA,"COC1=C2C=CC(=C1)C=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=CC5=CC(=C(C=C5)OCC6=CC=CC(=N6)CO2)OC","GZVQBZANOWDSAV-UHFFFAOYSA-N",388227,NA,"PDBC10858","682820","Present",NA,NA
+"10859","10,23-Dinitro-6,19-dioxa-1,14,27,28-tetrazapentacyclo[18.6.1.17,14.08,13.021,26]octacosa-7(28),8(13),9,11,20(27),21(26),22,24-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,23-Dinitro-6,19-dioxa-1,14,27,28-tetrazapentacyclo[18.6.1.17,14.08,13.021,26]octacosa-7(28),8(13),9,11,20(27),21(26),22,24-octaene",NA,"C1CCOC2=NN(CCCCOC3=NN(C1)C4=C3C=C(C=C4)[N+](=O)[O-])C5=C2C=C(C=C5)[N+](=O)[O-]","PKLXIQMORGRBLV-UHFFFAOYSA-N",384441,NA,"PDBC10859","674222","Present",NA,NA
+"10860","10,5-(Iminomethano)-10H-benzo[4',5']cyclohepta[1',2':4,5]benzo[1,2-d]-1,3-dioxole-10-carbonitrile, 13-benzoyl-5,11-dihydro-14-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"20-Benzoyl-19-methoxy-5,7-dioxa-20-azapentacyclo[10.6.2.02,10.04,8.013,18]icosa-2,4(8),9,13,15,17-hexaene-12-carbonitrile",NA,"COC1C2C3=CC=CC=C3C(N1C(=O)C4=CC=CC=C4)(CC5=CC6=C(C=C25)OCO6)C#N","KHDMSASMKBVHGF-UHFFFAOYSA-N",363304,NA,"PDBC10860","628123","Present",NA,NA
+"10861","10,5-(Iminomethano)-10H-dibenzo[a,d]cycloheptene-10-carbonitrile, 12-benzoyl-5,11-dihydro-13-hydroxy-2,3-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Benzoyl-16-hydroxy-4,5-dimethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene-9-carbonitrile",NA,"COC1=C(C=C2C3C(N(C(CC2=C1)(C4=CC=CC=C34)C#N)C(=O)C5=CC=CC=C5)O)OC","CINWENVJZDGYQE-UHFFFAOYSA-N",363307,NA,"PDBC10861","628126","Present",NA,NA
+"10862","10,5-(Nitrilometheno)-10H-dibenzo[a,d]cycloheptene-10-carboxylic acid, 5,11-dihydro-2,3-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene-9-carboxylic acid",NA,"COC1=C(C=C2C3C=NC(CC2=C1)(C4=CC=CC=C34)C(=O)O)OC","NSUDYULBWAJZPC-UHFFFAOYSA-N",363206,NA,"PDBC10862","627880","Present",NA,NA
+"10863","10-((3-(Diethylamino)propyl)amino)-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-((3-(Diethylamino)propyl)amino)-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one",NA,"CCN(CC)CCCNC1=NC=CC2=C(C3=C(C=C21)C(=O)C4=C(N3)C=CN=C4)C","URXKRPPJGJDRQW-UHFFFAOYSA-N",366887,NA,"PDBC10863","635930","Present",NA,NA
+"10864","10-(1,3-Dihydroxypropan-2-yloxymethyl)-11,12-dimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(1,3-Dihydroxypropan-2-yloxymethyl)-11,12-dimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one",NA,"CC1=C(N(C2=C1C3=NC(=O)CN3C(=N2)SC)COC(CO)CO)C","GRCXTBRLWQNSRU-UHFFFAOYSA-N",24205327,NA,"PDBC10864","735044","Present",NA,NA
+"10865","10-(1,3-Dihydroxypropan-2-yloxymethyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(1,3-Dihydroxypropan-2-yloxymethyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one",NA,"CC1=C(N(C2=C1C3=NC(=O)CN3C(=N2)SC)COC(CO)CO)C4=CC=CC=C4","PQMXTVAAHAHXAR-UHFFFAOYSA-N",24205328,NA,"PDBC10865","735045","Present",NA,NA
+"10866","10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,11,12-trimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,11,12-trimethyl-7-methylsulfanyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one",NA,"CC1C(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C)C)SC","QISWESIGNNQKBY-UHFFFAOYSA-N",24205324,NA,"PDBC10866","735041","Present",NA,NA
+"10867","10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,12-dimethyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(1,3-Dihydroxypropan-2-yloxymethyl)-5,12-dimethyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one",NA,"CC1C(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C4=CC=CC=C4)C)SC","JTOFKOHIHMZIEI-UHFFFAOYSA-N",24205323,NA,"PDBC10867","735040","Present",NA,NA
+"10868","10-(1-Azabicyclo[2.2.2]octan-3-yl)phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IBF-28145",NA,"C1CN2CCC1C(C2)N3C4=CC=CC=C4SC5=CC=CC=C53","DZIUGYZZXPVEQO-UHFFFAOYSA-N",370124,NA,"PDBC10868","642716","Present",NA,NA
+"10869","10-(1-Benzylpiperidin-3-yl)-2-chlorophenothiazine;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(1-Benzylpiperidin-3-yl)-2-chlorophenothiazine;(Z)-but-2-enedioic acid",NA,"C1CC(CN(C1)CC2=CC=CC=C2)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=CC(=O)O)C(=O)O","VUWGYXVPXSEGMM-BTJKTKAUSA-N",5380916,NA,"PDBC10869","107237","Present",NA,NA
+"10870","10-(1-Naphthyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridine-1,8-dione, 1,2,3,4,5,6,7,8,9,10-decahydro-, 5-(...",NA,"C1CC2=C(CC3=C(N2C4=CC=CC5=CC=CC=C54)CCCC3=O)C(=O)C1","TWONXSIBWQBOKZ-UHFFFAOYSA-N",379941,NA,"PDBC10870","665133","Present",NA,NA
+"10871","10-(2',4'-dichlorophenyl)-3-methylflavin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(2',4'-dichlorophenyl)-3-methylflavin",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=C(C=C(C=C4)Cl)Cl","VWWLDHTZVYONJZ-UHFFFAOYSA-N",362038,NA,"PDBC10871","625537","Present",NA,NA
+"10872","10-(2,2-Dimethyl-3-(dimethylamino)propyl)phenothiazine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC169466",NA,"CC(C)(CN1C2=CC=CC=C2SC3=CC=CC=C31)CN(C)C.Cl","ORCHOKMEAFALDE-UHFFFAOYSA-N",212560,NA,"PDBC10872","169466","Present",NA,NA
+"10873","10-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-ylmethyl)anthracene-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(2,5,8,11,14,17-Hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-ylmethyl)anthracene-9-carbonitrile",NA,"C1COCCOCCOC2=C(C=CC(=C2)CC3=C4C=CC=CC4=C(C5=CC=CC=C53)C#N)OCCOCCO1","LGEJZPKUPSNNKA-UHFFFAOYSA-N",370148,NA,"PDBC10873","642784","Present",NA,NA
+"10874","10-(2,6-Dibromo-4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(2,6-Dibromo-4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,"CC1=CC(=C(C(=C1)Br)N2C3=C(CC4=C2CCCC4=O)C(=O)CCC3)Br","UYMDGHLHGSAGKI-UHFFFAOYSA-N",379942,NA,"PDBC10874","665134","Present",NA,NA
+"10875","10-(2,8,8-Trimethyl-7,8,9,10-tetrahydro-1H-pyrido(2,3-b)carbazole-2,6-dion",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(2,4-Dichloro-benzyl)-5-hydroxy-4,8,8-trimethyl-7,8,9...",NA,"CC1=CC(=O)NC2=CC3=C(C4=C(N3CC5=C(C=C(C=C5)Cl)Cl)CC(CC4=O)(C)C)C(=C12)O","QECNWTUMNNANBB-UHFFFAOYSA-N",45028005,NA,"PDBC10875","740555","Present",NA,NA
+"10876","10-(2-(Diethylamino)ethyl)-1,4-dihydroxy-9(10H)-acridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9(10H)-Acridinone, 10-[2-(diethylamino)ethyl]-1,4-dihydr...",NA,"CCN(CC)CCN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)O)O","FGMCSSRWWVDXPV-UHFFFAOYSA-N",5387719,NA,"PDBC10876","625992","Present",NA,NA
+"10877","10-(2-(Diethylamino)ethyl)-1,4-dimethoxy-9(10H)-acridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(2-(Diethylamino)ethyl)-1,4-dimethoxy-9(10H)-acridinone",NA,"CCN(CC)CCN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)OC)OC","IVUHEFXAWHNEER-UHFFFAOYSA-N",362331,NA,"PDBC10877","625990","Present",NA,NA
+"10878","10-(2-Carbamothioylhydrazinyl)-10-demethoxycolchicine mo...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(2-Carbamothioylhydrazinyl)-10-demethoxycolchicine mo...",NA,"CCOC(=O)C.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NNC(=S)N)OC)OC)OC","IYRRQVKDSHEXJD-RSAXXLAASA-N",54613618,NA,"PDBC10878","750423","Present",NA,NA
+"10879","10-(2-Ethoxybenzylidene)-9-anthrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[(2-Ethoxyphenyl)methylidene]anthracen-9-one",NA,"CCOC1=CC=CC=C1C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42","PYHQRWGUQOENPZ-UHFFFAOYSA-N",328716,NA,"PDBC10879","308787","Present",NA,NA
+"10880","10-(2-Fluoro-4-methoxybenzyl)-10H-phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789743",NA,"COC1=CC(=C(C=C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)F","POKNTKJVOVUUJA-UHFFFAOYSA-N",132580699,NA,"PDBC10880","789743","Present",NA,NA
+"10881","10-(2-Methoxyethyl)-7,8-dihydro-6H-benzo[g]pteridine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(2-Methoxyethyl)-7,8-dihydro-6H-benzo[g]pteridine-2,4-diamine",NA,"COCCN1C2=CCCCC2=NC3=C(N=C(N=C31)N)N","CEPFYRZQRZLVCR-UHFFFAOYSA-N",363355,NA,"PDBC10881","628238","Present",NA,NA
+"10882","10-(3,3,7,10-Tetrahydro-[1,4]dioxino[2,3-g]furo[3,4-b]quinolin-9(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(3,4-dimethoxyphenyl)-6-(2-hydroxyethyl)-2,3,7,10-tet...",NA,"COC1=C(C=C(C=C1)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4)OC","LQMJEUZRRGSDKY-UHFFFAOYSA-N",50900826,NA,"PDBC10882","750721","Present",NA,NA
+"10883","10-(3,4,5-Trimethoxyphenyl)-4-(2-hydroxyethyl)-3,4,6,7,8,10-hexahydro-1H-2-oxa-4-azadicyclopenta[b,g]naphthalene-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-hydroxyethyl)-10-(3,4,5-trimethoxyphenyl)-3,4,6,7,8...",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO","BUGBBPQKQPQAAO-UHFFFAOYSA-N",50900822,NA,"PDBC10883","750212","Present",NA,NA
+"10884","10-(3-(1-Azaspiro[4.5]dec-1-yl)propyl)-2-chloro-10H-phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(3-(1-Azaspiro[4.5]dec-1-yl)propyl)-2-chloro-10H-phenothiazine",NA,"C1CCC2(CC1)CCCN2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl","JGALTZABCXYMHO-UHFFFAOYSA-N",227840,NA,"PDBC10884","19976","Present",NA,NA
+"10885","10-(3-(4-Methoxyphenyl)propyl)-10H-phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(3-(4-Methoxyphenyl)propyl)-10H-phenothiazine",NA,"COC1=CC=C(C=C1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42","OYUUBIPNHSMIAJ-UHFFFAOYSA-N",373886,NA,"PDBC10885","650878","Present",NA,NA
+"10886","10-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3CCCC(=O)N(C3=N2)CC(CCl)O","DJBFBWBLPIJUBS-UHFFFAOYSA-N",392203,NA,"PDBC10886","692336","Present",NA,NA
+"10887","10-(3-Chloropropyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(3-Chloropropyl)-1,3-dimethyl-7,8-dihydro-6H-purino[7,8-a][1,3]diazepine-2,4,9-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3CCCC(=O)N(C3=N2)CCCCl","QHEKFCLTQVLEEM-UHFFFAOYSA-N",392202,NA,"PDBC10887","692335","Present",NA,NA
+"10888","10-(3-Chloropropyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(3-Chloropropyl)-12-methyl-7-methylsulfanyl-11-phenyl-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraen-4-one",NA,"CC1=C(N(C2=C1C3=NC(=O)CN3C(=N2)SC)CCCCl)C4=CC=CC=C4","GAHLXAXWZNPBLQ-UHFFFAOYSA-N",54612838,NA,"PDBC10888","748286","Present",NA,NA
+"10889","10-(3-Nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(3-Nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione",NA,"C1CC2=C(CC3=C(N2C4=CC(=CC=C4)[N+](=O)[O-])CCCC3=O)C(=O)C1","APRPTHKQNLKGCM-UHFFFAOYSA-N",379943,NA,"PDBC10889","665135","Present",NA,NA
+"10890","10-(3-Phenothiazin-10-ylpropyl)phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(3-Phenothiazin-10-ylpropyl)phenothiazine",NA,"C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCN4C5=CC=CC=C5SC6=CC=CC=C64","XLLWOSLGCRPBEZ-UHFFFAOYSA-N",377566,NA,"PDBC10890","659131","Present",NA,NA
+"10891","10-(4-Butoxyphenoxy)-N,N,N-trimethyldecan-1-aminium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Decanaminium, 10-(4-butoxyphenoxy)-N,N,N-trimethyl-, b...",NA,"CCCCOC1=CC=C(C=C1)OCCCCCCCCCC[N+](C)(C)C.[Br-]","XLFNXXSMHSQRJZ-UHFFFAOYSA-M",21144582,NA,"PDBC10891","175996","Present",NA,NA
+"10892","10-(4-Chlorobutyl)-1,3,4-trifluoro-10H-phenothiazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Chlorobutyl)-1,3,4-trifluoro-10H-phenothiazin-2-amine",NA,"C1=CC=C2C(=C1)N(C3=C(S2)C(=C(C(=C3F)N)F)F)CCCCCl","LNIQQOSWYCHZHX-UHFFFAOYSA-N",385623,NA,"PDBC10892","676962","Present",NA,NA
+"10893","10-(4-Chlorobutyl)-1,3,4-trifluoro-2-nitrophenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Phenothiazine, 10-(4-chlorobutyl)-1,3,4-trifluoro- 2...",NA,"C1=CC=C2C(=C1)N(C3=C(C(=C(C(=C3S2)F)F)[N+](=O)[O-])F)CCCCCl","XBXKXDVDDODFII-UHFFFAOYSA-N",385935,NA,"PDBC10893","677398","Present",NA,NA
+"10894","10-(4-Chlorobutyl)-3-nitrophenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Chlorobutyl)-3-nitrophenothiazine",NA,"C1=CC=C2C(=C1)N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCCCCl","SQVNSHSOPIAHBP-UHFFFAOYSA-N",384900,NA,"PDBC10894","675588","Present",NA,NA
+"10895","10-(4-Chlorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Chlorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine",NA,"C1CC2=CC=CC=C2C3=NC4=C(N=C(N=C4NC(C31)C5=CC=C(C=C5)Cl)N)N","MSMNHRUJBYREDU-UHFFFAOYSA-N",46838535,NA,"PDBC10895","749650","Present",NA,NA
+"10896","10-(4-Chlorophenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Chlorophenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,"C1CC2=C(CC3=C(N2C4=CC=C(C=C4)Cl)CCCC3=O)C(=O)C1","WJFHBAKCISCWCM-UHFFFAOYSA-N",379939,NA,"PDBC10896","665131","Present",NA,NA
+"10897","10-(4-Chlorophenyl)-9-methyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Chlorophenyl)-9-methyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,"CC1C2=C(CCCC2=O)N(C3=C1C(=O)CCC3)C4=CC=C(C=C4)Cl","KOOUCQCKDMTRLQ-UHFFFAOYSA-N",379946,NA,"PDBC10897","665138","Present",NA,NA
+"10898","10-(4-Fluorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Fluorophenyl)-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine",NA,"C1CC2=CC=CC=C2C3=NC4=C(N=C(N=C4NC(C31)C5=CC=C(C=C5)F)N)N","DNVQIUSHIPXGAR-UHFFFAOYSA-N",46838670,NA,"PDBC10898","749651","Present",NA,NA
+"10899","10-(4-Fluorophenyl)-6-methylsulfanyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Fluorophenyl)-6-methylsulfanyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione",NA,"CSC1=NC2=C(C(=O)N1)N=C3C(C(N2)C4=CC=C(C=C4)F)C(=O)C5=CC=CC=C53","VJCSUDIJZWZJPU-UHFFFAOYSA-N",135958525,NA,"PDBC10899","746608","Present",NA,NA
+"10900","10-(4-Iodophenyl)-7,7,11-trimethyl-2-methylsulfanyl-3-phenoxy-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Azetidino[1,2-a]pyrrolo[3,2-c]azepin-8(7H)-one, 3,4,5...",NA,"CC1=CC2=C(N1C3=CC=C(C=C3)I)CC(CN4C2(C(C4=O)OC5=CC=CC=C5)SC)(C)C","LKPBYJVYDZDMCT-UHFFFAOYSA-N",395702,NA,"PDBC10900","700497","Present",NA,NA
+"10901","10-(4-Nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Nitrophenyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione",NA,"C1CC2=C(CC3=C(N2C4=CC=C(C=C4)[N+](=O)[O-])CCCC3=O)C(=O)C1","SOOVJBNIZSFYKV-UHFFFAOYSA-N",379944,NA,"PDBC10901","665136","Present",NA,NA
+"10902","10-(4-Tert-Butylphenyl)-3-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Tert-Butylphenyl)-3-(2-methylphenyl)pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione",NA,"CC1=CC=CC=C1N2C(=O)C3=CC4=CC=CC=C4N(C3=NC2=O)C5=CC=C(C=C5)C(C)(C)C","DLSUEFWESVISOA-UHFFFAOYSA-N",387345,NA,"PDBC10902","681089","Present",NA,NA
+"10903","10-(4-Tert-butylphenyl)-3-[2-(hydroxymethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Tert-butylphenyl)-3-[2-(hydroxymethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione",NA,"CC(C)(C)C1=CC=C(C=C1)N2C3=CC=CC=C3C=C4C2=NC(=O)N(C4=O)C5=CC=CC=C5CO","QHQVMGDZIBWUBJ-UHFFFAOYSA-N",387343,NA,"PDBC10903","681087","Present",NA,NA
+"10904","10-(4-Tert-butylphenyl)-3-[2-(trifluoromethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Tert-butylphenyl)-3-[2-(trifluoromethyl)phenyl]pyrimido[4,5-b]quinoline-2,4-dione",NA,"CC(C)(C)C1=CC=C(C=C1)N2C3=CC=CC=C3C=C4C2=NC(=O)N(C4=O)C5=CC=CC=C5C(F)(F)F","WCJRXMPRWXOSMU-UHFFFAOYSA-N",387344,NA,"PDBC10904","681088","Present",NA,NA
+"10905","10-(6'-Ubiquinolyl)decyltriphenylphosphonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(6'-ubiquinolyl)decyltriphenylphosphonium",NA,"CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","DMRUQISFVFDWGE-UHFFFAOYSA-M",24783759,NA,"PDBC10905","745025","Present",NA,NA
+"10906","10-(6,7-Dimethoxy-1-isoquinolinyl)-1,2-dimethoxy-9-anthrylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(6,7-Dimethoxy-1-isoquinolinyl)-1,2-dimethoxy-9-anthrylamine",NA,"COC1=C(C2=C(C3=CC=CC=C3C(=C2C=C1)C4=NC=CC5=CC(=C(C=C54)OC)OC)N)OC","CYOHXLOJNUNXSP-UHFFFAOYSA-N",366231,NA,"PDBC10906","634567","Present",NA,NA
+"10907","10-(Diiodomethylidene)phenanthren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(diiodomethylene)-9(10)-phenanthrenone",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=C(I)I","XROGIZCTZXHJRQ-UHFFFAOYSA-N",400634,NA,"PDBC10907","712821","Present",NA,NA
+"10908","10-Acetoxy-6,7-dolabelladiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Acetoxy-6,18-dihydroxy-2,7-dolabelladiene",NA,"CC1CC(C=C(CC(C2C(CCC2(C=C1)C)C(C)(C)O)OC(=O)C)C)O","VUXOPRKKIFEKKX-KYWRCKAPSA-N",5387257,NA,"PDBC10908","622253","Present",NA,NA
+"10909","10-Acetylsalicyldithranol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Acetylsalicyldithranol",NA,"CC(=O)OC1=CC=CC=C1C(=O)C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=CC=C4O","AKCGRQGFZVKXMY-UHFFFAOYSA-N",125294,NA,"PDBC10909","641172","Present",NA,NA
+"10910","10-Amino-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-10,16-bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione",NA,"CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)N)CCN(C)C","RZGGHEGQYNEYLI-UHFFFAOYSA-N",399633,NA,"PDBC10910","710550","Present",NA,NA
+"10911","10-Amino-7-trimethylsilylethylcamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Amino-7-trimethylsilylethylcamptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)N)N=C4C3=C2)CC[Si](C)(C)C)O","VSMBGKVBFJABOI-VWLOTQADSA-N",400461,NA,"PDBC10911","712201","Present",NA,NA
+"10912","10-Aminocamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-652524",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O","MVUUMBZAHAKPKQ-FQEVSTJZSA-N",104986,NA,"PDBC10912","652524","Present",NA,NA
+"10913","10-Anilino-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;methanol;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Anilino-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;methanol;2,2,2-trifluoroacetic acid",NA,"CO.C1CN=C2C=C(C(=C3C2=C1N=N3)O)NC4=CC=CC=C4.C(=O)(C(F)(F)F)O","OVKPSKBBBGCGJL-UHFFFAOYSA-N",388009,NA,"PDBC10913","682431","Present",NA,NA
+"10914","10-Benzoyl-4a-hydroxy-1,4-trimethyl-4aH,9H-4b,9-diaza-inde no[1,2-a]inden-2-on",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Benzoyl-4a-hydroxy-1,3,4-trimethyl-4aH,9H-4b,9-diaza-...",NA,"CC1=C(C2(C(=C(C1=O)C)C(=C(C3=CC=CC=C3)O)C4=NC5=CC=CC=C5N42)O)C","ZDKKKNXXKZWJKK-QOCHGBHMSA-N",135580424,NA,"PDBC10914","736917","Present",NA,NA
+"10915","10-Benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Benzyl-2-phenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione",NA,"C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)N(C5=O)C6=CC=CC=C6","RXDUZIWQGWYXFL-UHFFFAOYSA-N",371270,NA,"PDBC10915","645329","Present",NA,NA
+"10916","10-Benzyl-3-(4-chlorophenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Benzyl-3-(4-chlorophenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,"C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NN=C(C4=O)C5=CC=C(C=C5)Cl","JBEODJZFKWDKRZ-UHFFFAOYSA-N",386676,NA,"PDBC10916","679203","Present",NA,NA
+"10917","10-Benzyl-3-(4-methoxyphenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Benzyl-3-(4-methoxyphenyl)-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,"COC1=CC=C(C=C1)C2=NN=C3N(C4=CC=CC=C4N3C2=O)CC5=CC=CC=C5","FFTAEJYFPTXWNS-UHFFFAOYSA-N",386675,NA,"PDBC10917","679202","Present",NA,NA
+"10918","10-Benzyl-3-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Benzyl-3-phenyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,"C1=CC=C(C=C1)CN2C3=CC=CC=C3N4C2=NN=C(C4=O)C5=CC=CC=C5","UPGOQMMSMGYTMO-UHFFFAOYSA-N",386674,NA,"PDBC10918","679201","Present",NA,NA
+"10919","10-Benzyl-5-methyl-2-phenyl-3a,4,5,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Benzyl-5-methyl-2-phenyl-3a,4,5,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3-dione",NA,"CC1CC2C(C3=C1C4=CC=CC=C4N3CC5=CC=CC=C5)C(=O)N(C2=O)C6=CC=CC=C6","AONNCUFLRUFGMU-UHFFFAOYSA-N",361386,NA,"PDBC10919","624410","Present",NA,NA
+"10920","10-Benzylideneanthracen-9(10h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzylidenanthron",NA,"C1=CC=C(C=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42","ZBDXDMJVRUZKDX-UHFFFAOYSA-N",225328,NA,"PDBC10920","14548","Present",NA,NA
+"10921","10-Bromo-2-ethyl-5,10a-dimethoxy-5,10-dihydroimidazo[1,5-b]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Bromo-2-ethyl-5,10a-dimethoxy-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione",NA,"CCN1C(=O)C2(C(C3=CC=CC=C3C(N2C1=O)OC)Br)OC","IKPLENIVMBEZNR-UHFFFAOYSA-N",372519,NA,"PDBC10921","647653","Present",NA,NA
+"10922","10-Chloro-12-methylsulfanyl-2-thia-4,6,7,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Chloro-12-methylsulfanyl-2-thia-4,6,7,11,13-pentazatricyclo[7.4.0.03,7]trideca-1(9),3,5,10,12-pentaen-8-ol",NA,"CSC1=NC2=C(C(N3C(=NC=N3)S2)O)C(=N1)Cl","DHTXBVIIGVGYHF-UHFFFAOYSA-N",399940,NA,"PDBC10922","711092","Present",NA,NA
+"10923","10-Chloro-7-(cyclopropylmethyl)-1-(4-nitrophenyl)-3,11b-diphenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Chloro-7-(cyclopropylmethyl)-1-(4-nitrophenyl)-3,11b-diphenyl-5H-[1,2,4]triazolo[4,3-d][1,4]benzodiazepin-6-one",NA,"C1CC1CN2C(=O)CN3C(=NN(C3(C4=C2C=CC(=C4)Cl)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=CC=C7","UTQYGDCILBVUDZ-UHFFFAOYSA-N",377490,NA,"PDBC10923","658958","Present",NA,NA
+"10924","10-Desacetylbaccatin III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrol fr. taxus brevifolia",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","YWLXLRUDGLRYDR-UHFFFAOYSA-N",125001,NA,"PDBC10924","251677","Present",NA,NA
+"10925","10-EdAM",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-EdAM",NA,"CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","FSIRXIHZBIXHKT-UHFFFAOYSA-N",54586,NA,"PDBC10925","626715","Present",NA,NA
+"10926","10-Epi-anamarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-epi-anamarine",NA,"CC(C(C(C(C=CC1CC=CC(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","IIGKKKGWVQSBLY-PKWWXWAJSA-N",45028006,NA,"PDBC10926","740559","Present",NA,NA
+"10927","10-Ethyl-1,4-dimethoxy-9(10H)-acridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Ethyl-1,4-dimethyoxy-9(10H)-acridinone",NA,"CCN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)OC)OC","ILZOWHJKKJCZKS-UHFFFAOYSA-N",362330,NA,"PDBC10927","625989","Present",NA,NA
+"10928","10-Ethyl-2,25-dioxa-10-azahexacyclo[12.11.0.03,12.04,9.015,24.017,22]pentacosa-1(14),3(12),4,6,8,15(24),17,19,21-nonaene-11,13,16,23-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-ethyl-5H-naphtho[2'',3'':4',5']furo[3',2':5,6]pyrano[3...",NA,"CCN1C2=CC=CC=C2C3=C(C1=O)C(=O)C4=C(O3)OC5=C4C(=O)C6=CC=CC=C6C5=O","KTQDEYDTAWBYDI-UHFFFAOYSA-N",155810297,NA,"PDBC10928","797533","Present",NA,NA
+"10929","10-Ethyl-2,5-diphenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Ethyl-2,5-diphenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CCN1C2=CC=CC=C2C3=C1C4C(CC3C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC=C6","GIGCLYBFUBFOQU-UHFFFAOYSA-N",373647,NA,"PDBC10929","650367","Present",NA,NA
+"10930","10-Ethyl-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Ethyl-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione",NA,"CCN1C2=CC=CC=C2C3=C1C4=C(C=C3C5=CC=CC=C5)C(=O)N(C4=O)C6=CC=CC=C6","MGJSOCZBAPNURK-UHFFFAOYSA-N",373648,NA,"PDBC10930","650368","Present",NA,NA
+"10931","10-Ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione",NA,"CCN1C2=CC=CC=C2C(C3=C1NC(=O)N(C3=O)C)C(SC)S(=O)(=O)C4=CC=C(C=C4)C","NWEOEWFCJMZXNX-UHFFFAOYSA-N",370135,NA,"PDBC10931","642725","Present",NA,NA
+"10932","10-Ethyl-3-phenyl-1,5-dihydropyrazolo[4,3-c][1,5]benzodiazepine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Ethyl-3-phenyl-1,5-dihydropyrazolo[4,3-c][1,5]benzodiazepine-4-thione",NA,"CCN1C2=CC=CC=C2NC(=S)C3=C(NN=C31)C4=CC=CC=C4","RPLNRJMURRFZDQ-UHFFFAOYSA-N",3005109,NA,"PDBC10932","672303","Present",NA,NA
+"10933","10-Ethyl-9-methyl-3,12-diphenyl-9,10-dihydropyrazolo[4,3-c][1,2,4]triazolo[4,3-a][1,5]benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Ethyl-12-methyl-3,8-diphenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,7(11),8,13,15-heptaene",NA,"CCN1C2=C(C(=N1)C3=CC=CC=C3)C4=NN=C(N4C5=CC=CC=C5N2C)C6=CC=CC=C6","WCZMZQJLAATVOR-UHFFFAOYSA-N",383803,NA,"PDBC10933","672306","Present",NA,NA
+"10934","10-Ethynyl-10-hydroxy-9(10H)-anthracenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Ethynyl-10-hydroxy-9(10H)-anthracenone",NA,"C#CC1(C2=CC=CC=C2C(=O)C3=CC=CC=C31)O","XCBBZYDQCIGHDN-UHFFFAOYSA-N",361831,NA,"PDBC10934","625147","Present",NA,NA
+"10935","10-Fluoro-3-hydroxyisoindolo[2,1a]quinoxalin-6-(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Fluoro-3-hydroxyisoindolo[2,1a]quinoxalin-6-(5H)-one",NA,"C1=CC2=C3C(=O)NC4=C(N3C=C2C(=C1)F)C=CC(=C4)O","LMVSMNFLNQFRPF-UHFFFAOYSA-N",60147953,NA,"PDBC10935","753220","Present",NA,NA
+"10936","10-Fluorobenzo(a)pyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-40023",NA,"C1=CC2=C3C(=C1)C=CC4=C5C(=CC(=C43)C=C2)C=CC=C5F","HAWXDOMASFLWHU-UHFFFAOYSA-N",52859,NA,"PDBC10936","623138","Present",NA,NA
+"10937","10-Hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC167406///NSC4060",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O","WCGUUGGRBIKTOS-UHFFFAOYSA-N",220774,NA,"PDBC10937","167406///4060","Present",NA,NA
+"10938","10-Hydroxy-1,8-bis(2-hydroxyethylamino)-10-prop-2-enylanthracen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Hydroxy-1,8-bis(2-hydroxyethylamino)-10-prop-2-enylanthracen-9-one",NA,"C=CCC1(C2=C(C(=CC=C2)NCCO)C(=O)C3=C1C=CC=C3NCCO)O","OWGJWXUPZXXRJL-UHFFFAOYSA-N",24206067,NA,"PDBC10938","740000","Present",NA,NA
+"10939","10-Hydroxy-10-prop-2-enyl-1-(prop-2-enylamino)anthracen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Hydroxy-10-prop-2-enyl-1-(prop-2-enylamino)anthracen-9-one",NA,"C=CCC1(C2=C(C(=CC=C2)NCC=C)C(=O)C3=CC=CC=C31)O","VVKRBHYIVQQBAF-UHFFFAOYSA-N",24205242,NA,"PDBC10939","734722","Present",NA,NA
+"10940","10-Hydroxy-2,3-dihydroimidazo[1,2-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-10H-imidazo[1,2-b][1,2,4]benzothiadiazin-10-ol 5,5-dioxide",NA,"C1CN2C(=N1)N(C3=CC=CC=C3S2(=O)=O)O","BHULGWJJXCJGQB-UHFFFAOYSA-N",374053,NA,"PDBC10940","651249","Present",NA,NA
+"10941","10-Hydroxy-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,16-Bis[2-(dimethylamino)ethyl]-5-hydroxy-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione",NA,"CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)O)CCN(C)C","NVRGTXQKVXKXAN-UHFFFAOYSA-N",399631,NA,"PDBC10941","710548","Present",NA,NA
+"10942","10-Hydroxy-3-(trifluoromethyl)-5H-phenophosphazinine 10-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Trifluoromethyl)-5,10-dihydrophenophosphazinin-10-ol 10-oxide",NA,"C1=CC=C2C(=C1)NC3=C(P2(=O)O)C=CC(=C3)C(F)(F)F","CKKDLJXUADIMBW-UHFFFAOYSA-N",360851,NA,"PDBC10942","623451","Present",NA,NA
+"10943","10-Hydroxy-4-bromo-5beta-estra-1,4-diene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8S,9S,10S,13S,14S)-4-Bromo-10-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione",NA,"CC12CCC3C(C1CCC2=O)CCC4=C(C(=O)C=CC34O)Br","TXYSTZDCUPYITK-YMKFXDTLSA-N",402600,NA,"PDBC10943","716730","Present",NA,NA
+"10944","10-Hydroxy-5-(3,4,5-trimethoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[5,6-f]indolizin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Hydroxy-5-(3,4,5-trimethoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3C(C5N2C(=O)CC5)O)OCO4","JMFYERZFZOBXHV-UHFFFAOYSA-N",384201,NA,"PDBC10944","673606","Present",NA,NA
+"10945","10-Hydroxy-5-(4-methoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Hydroxy-5-(4-methoxyphenyl)-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one",NA,"COC1=CC=C(C=C1)C2C3=CC4=C(C=C3C(C5N2C(=O)CC5)O)OCO4","MREHBXFNHVGEBG-UHFFFAOYSA-N",384202,NA,"PDBC10945","673607","Present",NA,NA
+"10946","10-Hydroxy-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Hydroxy-6-methylisoquino[6,7-b][1,6]naphthyridin-12(5H)-one",NA,"CC1=C2C=CNC(=O)C2=CC3=C1NC4=C(C3=O)C=NC=C4","HPOHFRLXNCOIQM-UHFFFAOYSA-N",366886,NA,"PDBC10946","635929","Present",NA,NA
+"10947","10-Hydroxy-7-trimethylsilylethylcamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC709237",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)O)N=C4C3=C2)CC[Si](C)(C)C)O","FBOHVJOXVDWFTC-VWLOTQADSA-N",398933,NA,"PDBC10947","709237","Present",NA,NA
+"10948","10-Imino-11,15-diphenyl-14-sulfanylidene-2,11,13,15-tetrazatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),8-diene-12,16-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Imino-11,15-diphenyl-14-sulfanylidene-2,11,13,15-tetrazatetracyclo[7.7.1.02,8.013,17]heptadeca-1(17),8-diene-12,16-dione",NA,"C1CCC2=C3C4=C(N2CC1)C(=O)N(C(=S)N4C(=O)N(C3=N)C5=CC=CC=C5)C6=CC=CC=C6","NXUOKQRZINBXMD-UHFFFAOYSA-N",394197,NA,"PDBC10948","697466","Present",NA,NA
+"10949","10-Methoxy-12-methyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methoxy-12-methyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione",NA,"CN1C2=C(C=CC(=C2)OC)C3=C1C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O","GHCHXXPDGGJGHS-UHFFFAOYSA-N",374507,NA,"PDBC10949","652258","Present",NA,NA
+"10950","10-Methoxy-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methoxy-2,3,7-triazatricyclo[6.3.1.04,12]dodeca-1(11),2,4(12),7,9-pentaen-11-ol;hydroiodide",NA,"COC1=CC2=NCCC3=C2C(=C1O)N=N3.I","XTRDTZUIDJWURP-UHFFFAOYSA-N",384099,NA,"PDBC10950","673322","Present",NA,NA
+"10951","10-Methoxy-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H,6H-Pyrazolo[3,4,5-mn]pyrimido[5,6,1-de]acridine- 5,7-...",NA,"CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)OC)CCN(C)C","DIDMCOGVJBEHEZ-UHFFFAOYSA-N",399630,NA,"PDBC10951","710547","Present",NA,NA
+"10952","10-Methoxy-5-methyl-7-phenyl-2,3,4,5-tetrahydro-7H-1,6,5-benzodioxazonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methoxy-5-methyl-7-phenyl-2,3,4,5-tetrahydro-7H-1,6,5-benzodioxazonine",NA,"CN1CCCOC2=C(C=CC(=C2)OC)C(O1)C3=CC=CC=C3","DKALCOIEDJUTLK-UHFFFAOYSA-N",363702,NA,"PDBC10952","628824","Present",NA,NA
+"10953","10-Methoxy-6-methylbenzimidazolo[1,2-a]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methoxy-6-methylbenzimidazo[1,2-a]quinoline",NA,"CC1=CC2=CC=CC=C2N3C1=NC4=C3C=C(C=C4)OC","UKVTYFCFSASELC-UHFFFAOYSA-N",378354,NA,"PDBC10953","660436","Present",NA,NA
+"10954","10-Methoxy-8,8-dimethyl-4-(2-phenylethyl)-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2h,6h-Benzo[1,2-b:5,4-b']dipyran-2-one, 7,8-dihydro-10-m...",NA,"CC1(CCC2=CC3=C(C(=C2O1)OC)OC(=O)C=C3CCC4=CC=CC=C4)C","SLCCJFVICRGOKF-UHFFFAOYSA-N",374759,NA,"PDBC10954","653003","Present",NA,NA
+"10955","10-Methoxycamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methoxycamptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)OC)O","KLFJSYOEEYWQMR-NRFANRHFSA-N",97283,NA,"PDBC10955","111533","Present",NA,NA
+"10956","10-Methoxyphenanthrene-3,9-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methoxyphenanthrene-3,9-diol",NA,"COC1=C(C2=CC=CC=C2C3=C1C=CC(=C3)O)O","LKIWGFRRTSOWGE-UHFFFAOYSA-N",375113,NA,"PDBC10956","654236","Present",NA,NA
+"10957","10-Methyl-1,3,4,6,7,8,9,10-octahydroazepino[2,1-b]quinazolin-12(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azepino[2,1-b]quinazolin-12(1OH)-one, 1,2,3,4,6,7,8,9-oc...",NA,"CC1CCCCC2=NC3=C(CCCC3)C(=O)N12","LSZGAZQPJMISMO-UHFFFAOYSA-N",367887,NA,"PDBC10957","638065","Present",NA,NA
+"10958","10-Methyl-2-(3,4,5-trimethoxybenzyl)-10H-phenothiazine-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyano-2-(3',4',5'-trimethoxybenzyl)-10-N-methylphenoth...",NA,"CN1C2=CC=CC=C2SC3=C1C(=C(C=C3)CC4=CC(=C(C(=C4)OC)OC)OC)C#N","KUWACKAFOGCBMW-UHFFFAOYSA-N",374832,NA,"PDBC10958","653255","Present",NA,NA
+"10959","10-Methyl-2-oxo-2H-pyrano[3,2-a]indolizine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-2-oxo-2H-pyrano[3,2-a]indolizine-3-carbonitrile",NA,"CC1=C2C(=C3N1C=CC=C3)C=C(C(=O)O2)C#N","ZXTNTCKCIPGSTJ-UHFFFAOYSA-N",389677,NA,"PDBC10959","686129","Present",NA,NA
+"10960","10-Methyl-2-phenyl-4-(1-pyrrolidinyl)pyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-2-phenyl-4-(1-pyrrolidinyl)pyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione",NA,"CN1C2=CC=CC=C2C3=CC(=C4C(=C31)C(=O)N(C4=O)C5=CC=CC=C5)N6CCCC6","CEGNVJCRFJMKDK-UHFFFAOYSA-N",380390,NA,"PDBC10960","665907","Present",NA,NA
+"10961","10-Methyl-3,4,5,10-tetrahydro-2,3,10-triazaindeno[2,1-a]indene-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-3,4,5,10-tetrahydro-2,3,10-triazaindeno[2,1-a]indene-4-one",NA,"CN1C2=C(C3=C1C4=CC=CC=C4C3)C(=O)NN=C2","XTGZMGDBPPEFSB-UHFFFAOYSA-N",401974,NA,"PDBC10961","715661","Present",NA,NA
+"10962","10-Methyl-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-3-(phenoxymethyl)-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,"CN1C2=CC=CC=C2S(=O)(=O)N3C1=NN=C3COC4=CC=CC=C4","MCCJDTZJKMPXCS-UHFFFAOYSA-N",341527,NA,"PDBC10962","373877","Present",NA,NA
+"10963","10-Methyl-3-phenethyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-3-phenethyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,"CN1C2=CC=CC=C2S(=O)(=O)N3C1=NN=C3CCC4=CC=CC=C4","SXWQHZVVRCQTMA-UHFFFAOYSA-N",341530,NA,"PDBC10963","373880","Present",NA,NA
+"10964","10-Methyl-5,6-dihydro-4H,8H-[1,3]oxazolo[4,5-c]pyrido[3,2,1-ij]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-5,6-dihydro-4H,8H-[1,3]oxazolo[4,5-c]pyrido[3,2,1-ij]quinolin-8-one",NA,"CC1=NC2=C(O1)C3=CC=CC4=C3N(C2=O)CCC4","ORWXUVUJOPUZFP-UHFFFAOYSA-N",389388,NA,"PDBC10964","685454","Present",NA,NA
+"10965","10-Methyl-5H-Indolo[2,1,5]benzoxadiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-5H-Indolo[2,3-c][2,1,5]benzoxadiazepine",NA,"CC1=CC2=C(C=C1)NC3=C2N=C4C=CC=CC4=NO3","ISFGXHGHRZRQKC-UHFFFAOYSA-N",135585453,NA,"PDBC10965","728949","Present",NA,NA
+"10966","10-Methyl-7H,9H,13H-naphtho[1,8-de][1,2,4]triazolo[1,2-a][1,2]diazepine-9,11(10H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione",NA,"CN1C(=O)N2CC3=CC=CC4=C3C(=CC=C4)CN2C1=O","GCSLXTPCACGULY-UHFFFAOYSA-N",391902,NA,"PDBC10966","691583","Present",NA,NA
+"10967","10-Methyl-7h-benzo[c]phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-7h-benzo[c]phenothiazine",NA,"CC1=CC2=C(C=C1)NC3=C(S2)C4=CC=CC=C4C=C3","FOEVXYGXVGBVKD-UHFFFAOYSA-N",237061,NA,"PDBC10967","40273","Present",NA,NA
+"10968","10-Methyl-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-9-one",NA,"CC1=NN2C3=C(C=CC4=CC=CC=C43)SC2=NC1=O","ZMJLBRFEJAJLAK-UHFFFAOYSA-N",364997,NA,"PDBC10968","631906","Present",NA,NA
+"10969","10-Methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridin-10-ium-9-carboxamide;methyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridin-10-ium-9-carboxamide;methyl sulfate",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5.COS(=O)(=O)[O-]","ICDKLRDXOKDSOJ-UHFFFAOYSA-N",393806,NA,"PDBC10969","696571","Present",NA,NA
+"10970","10-Methyl-N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]acridin-10-ium-9-carboxamide;methyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-N-[4-[(2-phenylpyrazol-3-yl)sulfamoyl]phenyl]acridin-10-ium-9-carboxamide;methyl sulfate",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=CC=NN5C6=CC=CC=C6.COS(=O)(=O)[O-]","HTUJLDSKXKDBSJ-UHFFFAOYSA-N",393808,NA,"PDBC10970","696572","Present",NA,NA
+"10971","10-Methylene-9-((4-methylphenyl)sulfonyl)-7-oxa-9-azaspiro[4.5]decan-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methylene-9-((4-methylphenyl)sulfonyl)-7-oxa-9-azaspiro[4.5]decan-8-one",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C(=C)C3(CCCC3)COC2=O","PNNBQYOYUXZHAL-UHFFFAOYSA-N",379621,NA,"PDBC10971","664328","Present",NA,NA
+"10972","10-Methylimidazo[1,2-a:3,4-a']diquinolin-15-ium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2-aza-13-azoniapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3(8),4,6,9,11,14,16,18,20-decaene;iodide",NA,"CC1=CC2=C(C=C1)N3C(=C[N+]4=C3C=CC5=CC=CC=C54)C=C2.[I-]","RZOZVQMWYPDIGA-UHFFFAOYSA-M",24201701,NA,"PDBC10972","524442","Present",NA,NA
+"10973","10-Nitro-2,6-bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,16-Bis[2-(dimethylamino)ethyl]-5-nitro-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione",NA,"CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=C(C3=N1)C=C(C=C5)[N+](=O)[O-])CCN(C)C","MZPDKSMUCXBFFA-UHFFFAOYSA-N",399632,NA,"PDBC10973","710549","Present",NA,NA
+"10974","10-Nitronoracronycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Nitronoracronycin",NA,"CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC(=C4)[N+](=O)[O-])C)O)C","CLHDMYCBLUDRPM-UHFFFAOYSA-N",5387299,NA,"PDBC10974","622481","Present",NA,NA
+"10975","10-Nitropyrazino[2,3-c]isoquinolin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Nitropyrazino[2,3-c]isoquinolin-6(5H)-one",NA,"C1=CC2=C(C(=C1)[N+](=O)[O-])C3=NC=CN=C3NC2=O","XHPYLHQTBGRZHN-UHFFFAOYSA-N",381274,NA,"PDBC10975","667710","Present",NA,NA
+"10976","10-Nitrosophenanthren-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48526",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N=O)O","HMJPSXRANHDJOF-UHFFFAOYSA-N",95223,NA,"PDBC10976","48526","Present",NA,NA
+"10977","10-Oxabenzo[def]chrysen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C18281",NA,"C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4OC(=O)C=C5)C=C2","NHGPSFSQAVBCRE-UHFFFAOYSA-N",361185,NA,"PDBC10977","624114","Present",NA,NA
+"10978","10-Oxododecahydrobenzo[a]azulen-4b(1H)-yl hydrogen carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Oxododecahydrobenzo[a]azulen-4b(1H)-yl hydrogen carbonate",NA,"C1CCC2C(=O)C3CCCCC3C2(CC1)OC(=O)O","BOCCQGYRMHHMSH-UHFFFAOYSA-N",375489,NA,"PDBC10978","655271","Present",NA,NA
+"10979","10-Oxooctadecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-ketostearic acid",NA,"CCCCCCCCC(=O)CCCCCCCCC(=O)O","BGKROBBCCGUUCF-UHFFFAOYSA-N",361941,NA,"PDBC10979","625425","Present",NA,NA
+"10980","10-Phenyl-11,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Phenyl-11,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaene",NA,"C1C2=CC=CC=C2C3=C1C(N4C(=NC=N4)N3)C5=CC=CC=C5","FJAUXSSALRFYNH-UHFFFAOYSA-N",373409,NA,"PDBC10980","649664","Present",NA,NA
+"10981","10-Phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaene-4,6-diamine",NA,"C1CC2=CC=CC=C2C3=NC4=C(N=C(N=C4NC(C31)C5=CC=CC=C5)N)N","AECMDTLIMQWHQN-UHFFFAOYSA-N",46838672,NA,"PDBC10981","749652","Present",NA,NA
+"10982","10-Phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,"C1CC2=C(CC3=C(N2C4=CC=CC=C4)CCCC3=O)C(=O)C1","BHTNQNVXCJXJKH-UHFFFAOYSA-N",379940,NA,"PDBC10982","665132","Present",NA,NA
+"10983","10-Phenyl-5,10-dihydrophenophosphazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Phenyl-5,10-dihydrophenophosphazine",NA,"C1=CC=C(C=C1)P2C3=CC=CC=C3NC4=CC=CC=C42","MZQSQFVAWRNADT-UHFFFAOYSA-N",380776,NA,"PDBC10983","666487","Present",NA,NA
+"10984","10-Phenyl-6,8-dioxaspiro[4.5]decan-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Phenyl-6,8-dioxaspiro[4.5]decan-9-one",NA,"C1CCC2(C1)C(C(=O)OCO2)C3=CC=CC=C3","BLINMRDHMPCMPI-UHFFFAOYSA-N",380239,NA,"PDBC10984","665718","Present",NA,NA
+"10985","10-Phenyl-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Phenyl-11-thia-13,16,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,15-heptaen-14-one",NA,"C1=CC=C(C=C1)C2=NN3C4=C(C=CC5=CC=CC=C54)SC3=NC2=O","CSHOYHFWEXKNBW-UHFFFAOYSA-N",364998,NA,"PDBC10985","631907","Present",NA,NA
+"10986","10-Phenyltetrazolo[1,5-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Phenyltetrazolo[1,5-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)(=O)N4C2=NN=N4","YDYAHVPBPHBPHJ-UHFFFAOYSA-N",341518,NA,"PDBC10986","373867","Present",NA,NA
+"10987","10-Piperazino-1,2,3,4-tetrahydro-9-azaphenanthrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Piperazino-1,2,3,4-tetrahydro-9-azaphenanthrene",NA,"C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCNCC4","DGXBGJYAAYUXTF-UHFFFAOYSA-N",399481,NA,"PDBC10987","710332","Present",NA,NA
+"10988","10-Thiaxanthenone,5-dioxide, oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-THIAXANTHENONE, 5,5-DIOXIDE, OXIME",NA,"C1=CC=C2C(=C1)C(=NO)C3=CC=CC=C3S2(=O)=O","MFVFIUCBCLRVGT-UHFFFAOYSA-N",220231,NA,"PDBC10988","2686","Present",NA,NA
+"10989","10-Undecenyl 2,3-dideoxyhex-2-enopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Undecenyl 2,3-dideoxyhex-2-enopyranoside",NA,"C=CCCCCCCCCCOC1C=CC(C(O1)CO)O","OTXHPQLYQFMHGX-UHFFFAOYSA-N",388312,NA,"PDBC10989","683044","Present",NA,NA
+"10990","10-[(1-Methylpiperidin-4-yl)methyl]phenothiazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenothiazine, 10-[(1-methyl-4-piperidyl)methyl]-, hydro...",NA,"CN1CCC(CC1)CN2C3=CC=CC=C3SC4=CC=CC=C42.Cl","HCWKGDFPSZHXCN-UHFFFAOYSA-N",14129641,NA,"PDBC10990","64080","Present",NA,NA
+"10991","10-[(19R)-2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21,23,27,29,33-dodecaene-8,14,26,31-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[(19R)-2,3,4,7,8,9,19-Heptahydroxy-12,17-dioxo-13,16-dioxatetracyclo[13.3.1.05,18.06,11]nonadeca-1,3,5(18),6,8,10-hexaen-14-yl]-3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-9,13,25,32-tetraoxaheptac",NA,"C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C9C(C1=C(C(=C(C(=C1C(=O)O9)C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)O)O","FESAEKUFXJFTFG-QOQCXZSNSA-N",16133881,NA,"PDBC10991","676821","Present",NA,NA
+"10992","10-[(3-Fluoro-4-methoxyphenyl)methyl]phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784983",NA,"COC1=C(C=C(C=C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)F","VUORHFSCOSCKAG-UHFFFAOYSA-N",134150356,NA,"PDBC10992","784983","Present",NA,NA
+"10993","10-[(4-Fluorophenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[(4-Fluorophenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol",NA,"CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=C(C=C4)F)O)C","QAOZJMUTWQRZGJ-UHFFFAOYSA-N",402601,NA,"PDBC10993","716757","Present",NA,NA
+"10994","10-[(4-Methoxyphenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[(4-Methoxyphenyl)diazenyl]-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-5-ol",NA,"CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=C(C=C4)OC)O)C","DQAHHMGXMKTXPJ-UHFFFAOYSA-N",402602,NA,"PDBC10994","716758","Present",NA,NA
+"10995","10-[(Z)-C-Aminocarbonohydrazonoyl]sulfanyldecyl N'-aminocarbamimidothioate;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[(Z)-C-Aminocarbonohydrazonoyl]sulfanyldecyl N'-aminocarbamimidothioate;hydroiodide",NA,"C(CCCCCSC(=NN)N)CCCCSC(=NN)N.I","AMTOBOKOOSDOMN-UHFFFAOYSA-N",54603357,NA,"PDBC10995","33418","Present",NA,NA
+"10996","10-[1,1'-Biphenyl]-4-yl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[1,1'-Biphenyl]-4-yl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,"C1CC2=C(CC3=C(N2C4=CC=C(C=C4)C5=CC=CC=C5)CCCC3=O)C(=O)C1","YMJVDQPVOFGMSI-UHFFFAOYSA-N",379951,NA,"PDBC10996","665143","Present",NA,NA
+"10997","10-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-8-hydroxy-6,7-di(propan-2-yloxy)-1,3,4-triazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13),11-pentaen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-8-hydroxy-6,7-di(propan-2-yloxy)-1,3,4-triazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13),11-pentaen-2-one",NA,"CC1=CC=C(N1C2=CC=CC=C2C3C=CN4C5=C3C(=C(C(=C5N=NC4=O)OC(C)C)OC(C)C)O)C","ANXFMAOMEFFKSF-UHFFFAOYSA-N",135450448,NA,"PDBC10997","685016","Present",NA,NA
+"10998","10-[2-(2-Hydroxyethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(2-Hydroxyethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC4=C3N2C=N4)NCCNCCO.Cl","XEEBLIGGMWBKJJ-UHFFFAOYSA-N",371513,NA,"PDBC10998","645832","Present",NA,NA
+"10999","10-[2-(Diethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O.Cl","RRGDKYFXYNROPN-UHFFFAOYSA-N",371511,NA,"PDBC10999","645831","Present",NA,NA
+"11000","10-[2-(Diethylamino)ethylamino]-5-ethoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-5-ethoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OCC","DAAUBEBGNZGJDQ-UHFFFAOYSA-N",439028,NA,"PDBC11000","699154","Present",NA,NA
+"11001","10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl","HXAQGSRFKAXSNB-UHFFFAOYSA-N",438544,NA,"PDBC11001","645809","Present",NA,NA
+"11002","10-[2-(Diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)O)C.Cl","YABNXUOSTHGECN-UHFFFAOYSA-N",367848,NA,"PDBC11002","637992","Present",NA,NA
+"11003","10-[2-(Diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)OC.Cl","OCSLOHWPQDAQEN-UHFFFAOYSA-N",438549,NA,"PDBC11003","645812","Present",NA,NA
+"11004","10-[2-(Diethylamino)ethylamino]-5-methoxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Imidazo[4,5,1-de]acridin-6-one, 5-[2-(diethylamino) e...",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)OC)C.Cl","GYDUKVCOVDBXKS-UHFFFAOYSA-N",367849,NA,"PDBC11004","637993","Present",NA,NA
+"11005","10-[2-(Diethylamino)ethylamino]-8-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,5,7,9,11,13(16),14-heptaen-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-8-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,5,7,9,11,13(16),14-heptaen-4-one;hydrochloride",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=CC(=O)C=CC4=C2O.Cl","YZIFCDXUBHQBCB-UHFFFAOYSA-N",438547,NA,"PDBC11005","645811","Present",NA,NA
+"11006","10-[2-(Diethylamino)ethylamino]-8-hydroxy-3-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-8-hydroxy-3-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C=CC(=O)C4=C2O)OC","CCUYKRLXKTWTGP-UHFFFAOYSA-N",378421,NA,"PDBC11006","660840","Present",NA,NA
+"11007","10-[2-(Diethylamino)ethylamino]-8-hydroxy-4,5-dimethoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-8-hydroxy-4,5-dimethoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,7,9,11,13(16),14-heptaen-6-one",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=CC(=C(C(=O)C4=C2O)OC)OC","GRQHDQZNSRJNRZ-UHFFFAOYSA-N",378422,NA,"PDBC11007","660841","Present",NA,NA
+"11008","10-[2-(Dimethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Dimethylamino)ethylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,"CN(C)CCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O","ZRCXWSWJMWWTFD-UHFFFAOYSA-N",438569,NA,"PDBC11008","645833","Present",NA,NA
+"11009","10-[2-(Dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Dimethylamino)ethylamino]-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,"CC1=NC2=C3N1C4=CC=CC=C4C(=O)C3=C(C=C2)NCCN(C)C","WTFFYWWTDRXKDI-UHFFFAOYSA-N",438570,NA,"PDBC11009","645834","Present",NA,NA
+"11010","10-[2-(Dimethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Dimethylamino)ethylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,"CN(C)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl","NXTYWYBBZCKFPD-UHFFFAOYSA-N",371509,NA,"PDBC11010","645808","Present",NA,NA
+"11011","10-[2-(Dimethylamino)ethylamino]-5-hydroxy-15-methyl-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Imidazo[4,5,1-de]acridin-6-one, 5-[[2-(dimethylamino)...",NA,"CC1=NC2=C3N1C4=C(C=C(C=C4)O)C(=O)C3=C(C=C2)NCCN(C)C.Cl","AOGYZQBOUKTWRQ-UHFFFAOYSA-N",367847,NA,"PDBC11011","637991","Present",NA,NA
+"11012","10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"CCN(CC)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O","JQAXADUIRCEBEN-UHFFFAOYSA-N",438553,NA,"PDBC11012","645814","Present",NA,NA
+"11013","10-[3-(Diethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Imidazo[4,5,1-de]acridin-6-one, 5-[[3-(diethylamino) ...",NA,"CCN(CC)CCCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl","JOPXSOWZGARKAE-UHFFFAOYSA-N",367851,NA,"PDBC11013","637994","Present",NA,NA
+"11014","10-[3-(Dimethylamino)propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[3-(Dimethylamino)propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,"CN(C)CCCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O","KWLWSGBEPRFXEU-UHFFFAOYSA-N",438572,NA,"PDBC11014","645836","Present",NA,NA
+"11015","10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O","GGLHADFEHBYVER-UHFFFAOYSA-N",438568,NA,"PDBC11015","645830","Present",NA,NA
+"11016","10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[3-(Dimethylamino)propylamino]-5-hydroxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,"CN(C)CCCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)O.Cl","OQPGOJKSONVETH-UHFFFAOYSA-N",438545,NA,"PDBC11016","645810","Present",NA,NA
+"11017","10-[3-(Dimethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[3-(Dimethylamino)propylamino]-5-methoxy-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;hydrochloride",NA,"CN(C)CCCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=C(C=C4)OC.Cl","QQDRORVYLONSTL-UHFFFAOYSA-N",438551,NA,"PDBC11017","645813","Present",NA,NA
+"11018","10-[3-[4-[3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;methanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[3-[4-[3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propyl]piperazin-1-yl]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one;methanesulfonic acid",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN4CCN(CC4)CCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O.CS(=O)(=O)O","MJCHBLFVSPXRLS-UHFFFAOYSA-N",439010,NA,"PDBC11018","695945","Present",NA,NA
+"11019","10-[8-(5-Imino-2,4-dimethylbenzo[b][1,8]naphthyridin-10-yl)octyl]-2,4-dimethylbenzo[b][1,8]naphthyridin-5-imine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[b][1,8]naphthyridin-5-imine, 10,10'-octamethylene-...",NA,"CC1=CC(=NC2=C1C(=N)C3=CC=CC=C3N2CCCCCCCCN4C5=CC=CC=C5C(=N)C6=C4N=C(C=C6C)C)C.Cl","HBKUXCGREBXUKR-UHFFFAOYSA-N",387546,NA,"PDBC11019","681455","Present",NA,NA
+"11020","10-[[4-Methoxy-2-(trifluoromethyl)phenyl]methyl]phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788066",NA,"COC1=CC(=C(C=C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)C(F)(F)F","MDPSHZSMKLIGIF-UHFFFAOYSA-N",134140942,NA,"PDBC11020","788066","Present",NA,NA
+"11021","10-beta-Carbethoxypropionylchrysarobin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Bcpcb",NA,"CCOC(=O)CCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C","IRAGWLLQCZCTSU-UHFFFAOYSA-N",124459,NA,"PDBC11021","641170","Present",NA,NA
+"11022","10-bromopaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-bromopaullone",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=CC(=C4)Br","IGYURNWXVFOIOW-UHFFFAOYSA-N",383787,NA,"PDBC11022","672234","Present",NA,NA
+"11023","10-camphorsulfonanilide (6ci)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-camphorsulfonanilide (6ci)",NA,"CC1(C2CCC1(C(=O)C2)CS(=O)(=O)NC3=CC=CC=C3)C","ADKFVONVCIXICR-UHFFFAOYSA-N",386481,NA,"PDBC11023","678509","Present",NA,NA
+"11024","10074-G5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10074-G5",NA,"C1=CC=C(C=C1)C2=CC=CC=C2NC3=CC=C(C4=NON=C34)[N+](=O)[O-]","KMJPYSQOCBYMCF-UHFFFAOYSA-N",2836600,NA,"PDBC11024","764609","Present",NA,NA
+"11025","10H-(1,2,3)Triazolo(5,1-c)(1,4)benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-[1,2,3]Triazolo[1,5-a][1,4]benzodiazepine",NA,"C1C2=CC=CC=C2N=CC3=CN=NN31","LPSHMFMFMNQEEZ-UHFFFAOYSA-N",374931,NA,"PDBC11025","653544","Present",NA,NA
+"11026","10H-Dipyrido[3,4-b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-dipyrido[3,4-b",NA,"C1=CN=CC2=C1NC3=C(S2)C=CN=C3","QUPLXMMXAMOWOL-UHFFFAOYSA-N",24205901,NA,"PDBC11026","737217","Present",NA,NA
+"11027","10H-Phenothiazine, 2-bromo-10-[2-(1-methyl-2-piperidinyl)ethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Phenothiazine, 2-bromo-10-[2-(1-methyl-2-piperidinyl...",NA,"CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Br","HGXSRQXHKMFKJM-UHFFFAOYSA-N",99135,NA,"PDBC11027","186058","Present",NA,NA
+"11028","10H-Phenothiazine-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Phenothiazine-1-carbonitrile",NA,"C1=CC=C2C(=C1)NC3=C(C=CC=C3S2)C#N","IROHXUWSUOCLQI-UHFFFAOYSA-N",374035,NA,"PDBC11028","651214","Present",NA,NA
+"11029","10H-Phenothiazine-1-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Phenothiazine-1-carboxamide, N-(2-(dimethylamino)ethyl)-, monohydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3N2.Cl","FVMCEKURGLZQBR-UHFFFAOYSA-N",183397,NA,"PDBC11029","617957","Present",NA,NA
+"11030","10H-Phenothiazine-10-propanamine, 2-chloro-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Phenothiazine-10-propanamine, 2-chloro-, monohydroch...",NA,"C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCN.Cl","CLFAUWZDUIVBAN-UHFFFAOYSA-N",197797,NA,"PDBC11030","168977","Present",NA,NA
+"11031","10H-Phenothiazine-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Phenothiazine-4-carbonitrile",NA,"C1=CC=C2C(=C1)NC3=CC=CC(=C3S2)C#N","DRIWXTSESHVHDY-UHFFFAOYSA-N",380632,NA,"PDBC11031","666307","Present",NA,NA
+"11032","10H-Pyrido[2,3-b]carbazole, 7-methoxy-5,11-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Pyrido[2,3-b]carbazole, 7-methoxy-5,11-dimethyl-",NA,"CC1=C2C=CC=NC2=C(C3=C1C4=C(N3)C=CC(=C4)OC)C","NACPWLNTPJIVTL-UHFFFAOYSA-N",379121,NA,"PDBC11032","663335","Present",NA,NA
+"11033","10H-Quindoline-3,8-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Quindoline-3,8-diamine",NA,"C1=CC(=CC2=NC3=C(C=C21)NC4=C3C=CC(=C4)N)N","VXJCEYHNPBHQOS-UHFFFAOYSA-N",388029,NA,"PDBC11033","682454","Present",NA,NA
+"11034","10H-[1]Benzothiolo[3,2-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27183787",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4S3","FPQLXWGSGNEDCF-UHFFFAOYSA-N",354261,NA,"PDBC11034","605333","Present",NA,NA
+"11035","10Z-Hymenialdisine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hymenialdisine///NSC626158",NA,"C1CNC(=O)C2=C(C1=C3C(=O)NC(=N3)N)C=C(N2)Br","ATBAETXFFCOZOY-DAXSKMNVSA-N",135413546,NA,"PDBC11035","607173///626158","Present",NA,NA
+"11036","10a-(Trifluoromethyl)spiro[5H-[1,3]oxazolo[2,3-b][1,3]benzoxazine-3,1'-cyclohexane]-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10a-(Trifluoromethyl)spiro[5H-[1,3]oxazolo[2,3-b][1,3]benzoxazine-3,1'-cyclohexane]-2-one",NA,"C1CCC2(CC1)C(=O)OC3(N2CC4=CC=CC=C4O3)C(F)(F)F","PJMUMUQMXYPCPU-UHFFFAOYSA-N",383947,NA,"PDBC11036","672911","Present",NA,NA
+"11037","10a-Hydroxy-1,3,4,4a,5,6,7,8,9,10a-decahydrobenzo[a]azulen-10(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10a-Hydroxy-1,3,4,4a,5,6,7,8,9,10a-decahydrobenzo[a]azulen-10(2H)-one",NA,"C1CCC2=C(CC1)C(=O)C3(C2CCCC3)O","UMFAPXWKPZXOEO-UHFFFAOYSA-N",375490,NA,"PDBC11037","655272","Present",NA,NA
+"11038","10a-Methyl-5-phenyl-4,10,10a,10b-tetrahydro-1H-furo[3,4-a]carbazole-1,3(3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10a-Methyl-5-phenyl-4,10,10a,10b-tetrahydro-1H-furo[3,4-a]carbazole-1,3(3aH)-dione",NA,"CC12C3C(CC(=C1C4=CC=CC=C4N2)C5=CC=CC=C5)C(=O)OC3=O","VLCGADBNBBMNEO-UHFFFAOYSA-N",367130,NA,"PDBC11038","636517","Present",NA,NA
+"11039","10a-Phenyl-3a-(1-pyrrolidinyl)-1,2,3,3a,10a,10b-hexahydro-10H-cyclopenta[4,5]isoxazolo[2,3-a]indol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Phenyl-14-pyrrolidin-1-yl-15-oxa-1-azatetracyclo[7.6.0.02,7.010,14]pentadeca-2,4,6-trien-8-one",NA,"C1CCN(C1)C23CCCC2C4(C(=O)C5=CC=CC=C5N4O3)C6=CC=CC=C6","QXRMPRQQGNQQQF-UHFFFAOYSA-N",374525,NA,"PDBC11039","652276","Present",NA,NA
+"11040","10b-(4-Chlorophenyl)-8,9-dimethoxy-3-phenyl-10bH-[1,2,4]oxadiazolo[4,5-c][1,3]benzothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10b-(4-Chlorophenyl)-8,9-dimethoxy-3-phenyl-10bH-[1,2,4]oxadiazolo[4,5-c][1,3]benzothiazine",NA,"COC1=C(C=C2C(=C1)C3(N(CS2)C(=NO3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)OC","SDDVFFLENOCXBC-UHFFFAOYSA-N",373384,NA,"PDBC11040","649611","Present",NA,NA
+"11041","10b-(Acetyloxy)-1-chloro-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10b-(Acetyloxy)-1-chloro-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylic acid",NA,"CC(=O)OC12C(C(C1(C(=O)O)Cl)C(=O)O)C3=CC=CC=C3C4=CC=CC=C24","CBODUWBNIBXAQZ-UHFFFAOYSA-N",372340,NA,"PDBC11041","647398","Present",NA,NA
+"11042","10beta-Hydroxy-17beta-acetoxyestra-1,4-dien-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10.beta.-Hydroxy-17.beta.-acetoxyestra-1,4-dien-3-one",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34O)C","CYFXPLNBAALPBN-RPZLJYRGSA-N",395706,NA,"PDBC11042","700501","Present",NA,NA
+"11043","11,11'-(3,5-Pyridinediyl)bis(1,6-diazanaphthacene-5,12-dione)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[5-(5,12-Dioxopyrido[2,3-b]acridin-11-yl)pyridin-3-yl]pyrido[2,3-b]acridine-5,12-dione",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)C(=O)C4=C(C3=O)N=CC=C4)C5=CC(=CN=C5)C6=C7C(=NC8=CC=CC=C86)C(=O)C9=C(C7=O)N=CC=C9","QMMMMNFGQWFLGW-UHFFFAOYSA-N",393106,NA,"PDBC11043","694492","Present",NA,NA
+"11044","11,11,15-Trimethyl-6-oxa-2,10-diazabicyclo[10.3.1]hexadecane-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,11,15-Trimethyl-6-oxa-2,10-diazabicyclo[10.3.1]hexadecane-3,9-dione",NA,"CC1CCC2CC1NC(=O)CCOCCC(=O)NC2(C)C","BOAJOFXLPCMYNC-UHFFFAOYSA-N",376000,NA,"PDBC11044","656380","Present",NA,NA
+"11045","11,11a-Di(2-pyrazinyl)-6,11a-dihydro-5H-indeno[1,2-c]isoquinolin-5-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,11a-Di(2-pyrazinyl)-6,11a-dihydro-5H-indeno[1,2-c]isoquinolin-5-imine",NA,"C1=CC=C2C(=C1)C(=NC3=C4C=CC=CC4=C(C23C5=NC=CN=C5)C6=NC=CN=C6)N","UVORGJMDLQUUDW-UHFFFAOYSA-N",374032,NA,"PDBC11045","651211","Present",NA,NA
+"11046","11,12,35,36-Tetrabromo-50,51-diphenyl-2,5,8,15,18,21,26,29,32,39,42,45-dodecaoxa-49,52,57,59-tetrazadecacyclo[44.15.2.149,52.09,14.022,55.025,54.033,38.047,61.050,59.051,57]tetrahexaconta-1(61),9,11,13,22(55),23,25(54),33,35,37,46,62-dodecaene-58,64-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,12,35,36-Tetrabromo-50,51-diphenyl-2,5,8,15,18,21,26,29,32,39,42,45-dodecaoxa-49,52,57,59-tetrazadecacyclo[44.15.2.149,52.09,14.022,55.025,54.033,38.047,61.050,59.051,57]tetrahexaconta-1(61),9,11,1",NA,"C1COC2=C3CN4C(=O)N5CC6=C(C=CC7=C6CN8C5(C4(N(C8=O)CC3=C(C=C2)OCCOCCOC9=CC(=C(C=C9OCCOCCO7)Br)Br)C2=CC=CC=C2)C2=CC=CC=C2)OCCOCCOC2=CC(=C(C=C2OCCO1)Br)Br","OHZFWTLYXKEHMK-UHFFFAOYSA-N",5465257,NA,"PDBC11046","642894","Present",NA,NA
+"11047","11,12-Dihydro-5H-benzo[c]phenanthridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMAXBIKMKZRFCE-UHFFFAOYSA-N",NA,"C1CC2=C(C3=CC=CC=C31)NC(=O)C4=CC=CC=C24","AMAXBIKMKZRFCE-UHFFFAOYSA-N",362864,NA,"PDBC11047","627270","Present",NA,NA
+"11048","11,12-Dihydrodibenzo[a,e]cycloocten-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,12-Dihydrodibenzo[a,e]cycloocten-5(6H)-one",NA,"C1CC2=CC=CC=C2C(=O)CC3=CC=CC=C31","WHLICQXKIOKNRQ-UHFFFAOYSA-N",371071,NA,"PDBC11048","645010","Present",NA,NA
+"11049","11,12-Dihydroquinolino[2,3-b][1,5]benzoxazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,12-Dihydroquino[2,3-b][1,5]benzoxazepine",NA,"C1C2=CC3=CC=CC=C3N=C2OC4=CC=CC=C4N1","ITYAFHUZFUVDQV-UHFFFAOYSA-N",361918,NA,"PDBC11049","625353","Present",NA,NA
+"11050","11,12-Dimethoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,12-Dimethoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaene;hydrochloride",NA,"CN1C=CC2=NC=CC3=CC(=C(C1=C32)OC)OC.Cl","ZGGNWRRMVPLQRZ-UHFFFAOYSA-N",395378,NA,"PDBC11050","699880","Present",NA,NA
+"11051","11,12-Dimethylindolo[2,3-a]carbazole-5,6-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,12-Dimethylindolo[2,3-a]carbazole-5,6-dicarboxylic acid dimethyl ester",NA,"CN1C2=CC=CC=C2C3=C(C(=C4C5=CC=CC=C5N(C4=C31)C)C(=O)OC)C(=O)OC","LPMNDVFJSGXBLR-UHFFFAOYSA-N",392070,NA,"PDBC11051","691882","Present",NA,NA
+"11052","11,13-Dimethoxy-5,8,9,13b-tetrahydroisoquinolino[2,1-c]quinazolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,13-dimethoxy-5,8,9,13b-tetrahydro-6H-isoquinolino[2,1...",NA,"COC1=CC2=C(C3C4=CC=CC=C4NC(=O)N3CC2)C(=C1)OC","YAIUYQYSNWIESM-UHFFFAOYSA-N",155806029,NA,"PDBC11052","782052","Present",NA,NA
+"11053","11,13-Dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,10(14)-hexaene;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,13-Dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,5(16),6,8,10(14)-hexaene;hydrochloride",NA,"C1OC2=C(O1)C3=NC=CC4=C3C(=C2)C=CN4.Cl","MNSZGHTUSLDAMZ-UHFFFAOYSA-N",395382,NA,"PDBC11053","699882","Present",NA,NA
+"11054","11,15,25-Trithia-2,13,16,27-tetrazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),4(12),5(10),13,18(26),19(24)-hexaene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,15,25-Trithia-2,13,16,27-tetrazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(27),4(12),5(10),13,18(26),19(24)-hexaene-3,17-dione",NA,"C1CCC2=C(C1)C3=C(S2)N=C4N5C(=O)C6=C(N=C5SN4C3=O)SC7=C6CCCC7","QQOXZYOZLNABPP-UHFFFAOYSA-N",396924,NA,"PDBC11054","704105","Present",NA,NA
+"11055","11,16-Diphenyl-11,16-diazapentacyclo[6.5.5.02,7.09,13.014,18]octadeca-2,4,6-triene-10,12,15,17-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,16-Diphenyl-11,16-diazapentacyclo[6.5.5.02,7.09,13.014,18]octadeca-2,4,6-triene-10,12,15,17-tetrone",NA,"C1=CC=C(C=C1)N2C(=O)C3C4C5C(C(C3C2=O)C6=CC=CC=C46)C(=O)N(C5=O)C7=CC=CC=C7","VOAQZUPZPIBDPI-UHFFFAOYSA-N",363087,NA,"PDBC11055","627652","Present",NA,NA
+"11056","11,17-Diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2',1':4,5]imidazo[1,2-a]pyridine",NA,"C1=CC=C2C(=C1)C=CC3=C2N4C=CC=CC4=N3","PWRVWEBBXGUGFI-UHFFFAOYSA-N",378352,NA,"PDBC11056","660434","Present",NA,NA
+"11057","11,17-Diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2',3':4,5]imidazo[1,2-a]pyridine",NA,"C1=CC=C2C=C3C(=CC2=C1)N=C4N3C=CC=C4","SOJQAHSUDPBYSJ-UHFFFAOYSA-N",378350,NA,"PDBC11057","660432","Present",NA,NA
+"11058","11,25-Dimethyl-14,28-dithia-11,25-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,15,18(27),19,21,23-undecaene-12,26-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,25-Dimethyl-14,28-dithia-11,25-diazaheptacyclo[15.11.0.03,15.04,13.05,10.018,27.019,24]octacosa-1(17),2,4(13),5,7,9,15,18(27),19,21,23-undecaene-12,26-dione",NA,"CN1C2=CC=CC=C2C3=C(C1=O)SC4=CC5=C(C=C43)SC6=C5C7=CC=CC=C7N(C6=O)C","LQENZDHYIXLQTE-UHFFFAOYSA-N",391099,NA,"PDBC11058","689717","Present",NA,NA
+"11059","11-((2-((Diethylamino)methyl)phenyl)acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-((2-((Diethylamino)methyl)phenyl)acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one",NA,"CCN(CC)CC1=CC=CC=C1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4","PGJBMCFWHOCWEO-UHFFFAOYSA-N",379654,NA,"PDBC11059","664532","Present",NA,NA
+"11060","11-((4-Hydroxy-3-methoxybenzyl)amino)-11-oxoundecyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-((4-Hydroxy-3-methoxybenzyl)amino)-11-oxoundecyl thiocyanate",NA,"COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCCCSC#N)O","GWPNSFLGYARZKB-UHFFFAOYSA-N",379443,NA,"PDBC11060","663991","Present",NA,NA
+"11061","11-((4-Methylphenyl)sulfonyl)-1,4,8-trithia-11-azacyclotetradecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-((4-Methylphenyl)sulfonyl)-1,4,8-trithia-11-azacyclotetradecane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCCSCCCSCC2","FHRYPKFLVGHQCR-UHFFFAOYSA-N",373817,NA,"PDBC11061","650780","Present",NA,NA
+"11062","11-((4-Methylphenyl)sulfonyl)-5H-benzo[5,6]indeno[2,1-b]pyridine-5,10(10aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-((4-Methylphenyl)sulfonyl)-5H-benzo[5,6]indeno[2,1-b]pyridine-5,10(10aH)-dione",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C4C2C(=O)C5=CC=CC=C5C4=O)C=CC=N3","ACEWXYWGLWTBDY-UHFFFAOYSA-N",375333,NA,"PDBC11062","654907","Present",NA,NA
+"11063","11-((Triphenylphosphoranylidene)amino)-7,8,9,10-tetrahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[(Triphenyl-lambda5-phosphanylidene)amino]-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile",NA,"C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","GJWJNMAQFUCYBQ-UHFFFAOYSA-N",364726,NA,"PDBC11063","631384","Present",NA,NA
+"11064","11-(2,4-Dihydroxyphenyl)-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(2,4-Dihydroxyphenyl)-12-azapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaen-9-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C4=C(C(=N3)C5=C(C=C(C=C5)O)O)C(=O)C6=CC=CC=C64","CZZATDZFUSSDNW-UHFFFAOYSA-N",394736,NA,"PDBC11064","698404","Present",NA,NA
+"11065","11-(2-Dimethylaminoethyl)pyrido[2,3-b]acridine-5,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[2,3-b]acridine-5,12-dione, 11-[2-(dimethylamino)e...",NA,"CN(C)CCC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4","CFHWMIRGIMFRIH-UHFFFAOYSA-N",387193,NA,"PDBC11065","680734","Present",NA,NA
+"11066","11-(2-Methoxyphenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(2-Methoxyphenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one",NA,"COC1=CC=CC=C1C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6","YKXOINLYQMPTFJ-UHFFFAOYSA-N",54608996,NA,"PDBC11066","698245","Present",NA,NA
+"11067","11-(2-Morpholinoethyl)-5,6-dihydrobenzo[a]carbazol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-ethyl-morpholino)-2-hydroxy-5,6-dihydrobenzo[a]carb...",NA,"C1CC2=C(C3=C1C=CC(=C3)O)N(C4=CC=CC=C24)CCN5CCOCC5","VJXJWENCODNZRE-UHFFFAOYSA-N",392566,NA,"PDBC11067","693111","Present",NA,NA
+"11068","11-(2-Morpholinoethyl)-5,6-dihydrobenzo[a]carbazol-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-ethyl-morpholino)-8-hydroxy-5,6-dihydrobenzo[a]carb...",NA,"C1CC2=C(C3=CC=CC=C31)N(C4=C2C=C(C=C4)O)CCN5CCOCC5","GDADCCDOARLRTC-UHFFFAOYSA-N",392569,NA,"PDBC11068","693114","Present",NA,NA
+"11069","11-(2-Morpholinoethyl)-5,6-dihydrobenzo[a]carbazole-2,8-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(2-Morpholinoethyl)-5,6-dihydrobenzo[a]carbazole-2,8-diol",NA,"C1CC2=C(C3=C1C=CC(=C3)O)N(C4=C2C=C(C=C4)O)CCN5CCOCC5","QPGOLBVDVVXGMN-UHFFFAOYSA-N",389977,NA,"PDBC11069","686760","Present",NA,NA
+"11070","11-(2-Morpholinoethyl)-5,6-dihydrobenzo[a]carbazole-3,8-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-ethyl-morpholino)-3,8-dihydroxy-5,6-dihydrobenzo[a]...",NA,"C1CC2=C(C3=C1C=C(C=C3)O)N(C4=C2C=C(C=C4)O)CCN5CCOCC5","CDYKBAWHYDICLA-UHFFFAOYSA-N",392567,NA,"PDBC11070","693112","Present",NA,NA
+"11071","11-(2-Pyridinyl)-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(2-Pyridinyl)-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"C1=CC=C2C(=C1)C3=C(N2C4=CC=CC=N4)C5=C(C=C3)C(=O)C=CC5=O","NIXDVAMVVBWQGY-UHFFFAOYSA-N",375750,NA,"PDBC11071","655897","Present",NA,NA
+"11072","11-(3'-Methylaminopropylidene]-5,3-dimeth oxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinolin e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(3'-Methylaminopropylidene]-5,6-dihydro-5-keto-2,3-di...",NA,"CNCCC=C1C2=CC3=C(C=C2C4=C1C5=CC(=C(C=C5C(=O)N4C)OC)OC)OCO3","DAXQNHNQUJSUAW-AWNIVKPZSA-N",45027834,NA,"PDBC11072","727048","Present",NA,NA
+"11073","11-(3'Aminopropylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(3'Aminopropylidene)-5,6-dihydro-5-oxo-2,3-dimethoxy-...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCN)C4=CC5=C(C=C42)OCO5","JVLFFLPZENYPFH-LFYBBSHMSA-N",9978660,NA,"PDBC11073","724562","Present",NA,NA
+"11074","11-(3,4,5-Trimethoxyphenyl)-11,12-dihydro-5H-pyrido[3,2-c][1,7]phenanthrolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(3,4,5-Trimethoxyphenyl)-5,6,11,12-tetrahydropyrido[3...",NA,"COC1=CC(=CC(=C1OC)OC)C2CC3=C(C=CC=N3)C4=C2C5=C(C=CC=N5)C(=O)N4","JGSPCYXERWWIJM-UHFFFAOYSA-N",155814851,NA,"PDBC11074","782739","Present",NA,NA
+"11075","11-(3,4,5-Trimethoxyphenyl)-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-hydroxyethyl)-10-(3,4,5-trimethoxyphenyl)-2,3,7,10-...",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4","QZKWJWJZWYRWMR-UHFFFAOYSA-N",50900825,NA,"PDBC11075","750720","Present",NA,NA
+"11076","11-(3,4-Dichlorophenyl)-11,12-dihydropyrido[3,2-c][1,7]phenanthrolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-11-(3,4-dichlorophenyl)-11,12-dihydropyrido[3,2-...",NA,"C1C(C2=C(C3=C1N=CC=C3)N=C(C4=C2N=CC=C4)N)C5=CC(=C(C=C5)Cl)Cl","OJEPSDRPIIWLHM-UHFFFAOYSA-N",155809465,NA,"PDBC11076","782845","Present",NA,NA
+"11077","11-(3,4-Dichlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-11-(3,4-dichlorophenyl)-11,12-dihydropyrido[4,3-...",NA,"C1C(C2=C(C3=C1C=NC=C3)N=C(C4=C2C=NC=C4)N)C5=CC(=C(C=C5)Cl)Cl","YURWFEUKIWRRBK-UHFFFAOYSA-N",155812036,NA,"PDBC11077","781933","Present",NA,NA
+"11078","11-(3-Bromophenyl)-11,12-dihydropyrido[3,2-c][1,7]phenanthrolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-11-(3-bromophenyl)-11,12-dihydropyrido[3,2-c][1,...",NA,"C1C(C2=C(C3=C1N=CC=C3)N=C(C4=C2N=CC=C4)N)C5=CC(=CC=C5)Br","VOGLHIOTDZHPIX-UHFFFAOYSA-N",155816475,NA,"PDBC11078","782844","Present",NA,NA
+"11079","11-(3-Bromophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-11-(3-bromophenyl)-11,12-dihydropyrido[4,3-c][1,...",NA,"C1C(C2=C(C3=C1C=NC=C3)N=C(C4=C2C=NC=C4)N)C5=CC(=CC=C5)Br","LIRYCWARRXNXFD-UHFFFAOYSA-N",155810163,NA,"PDBC11079","781929","Present",NA,NA
+"11080","11-(3-Chlorophenyl)-11,12-dihydropyrido[3,2-c][1,7]phenanthrolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-11-(3-chlorophenyl)-11,12-dihydropyrido[3,2-c][1...",NA,"C1C(C2=C(C3=C1N=CC=C3)N=C(C4=C2N=CC=C4)N)C5=CC(=CC=C5)Cl","HXMQBPJNNUKXJS-UHFFFAOYSA-N",155806993,NA,"PDBC11080","782736","Present",NA,NA
+"11081","11-(3-Chlorophenyl)-11,12-dihydropyrido[4,3-c][1,8]phenanthrolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-11-(3-chlorophenyl)-11,12-dihydropyrido[4,3-c][1...",NA,"C1C(C2=C(C3=C1C=NC=C3)N=C(C4=C2C=NC=C4)N)C5=CC(=CC=C5)Cl","JKPOVXJAJLGGIF-UHFFFAOYSA-N",155807248,NA,"PDBC11081","781932","Present",NA,NA
+"11082","11-(3-Chlorophenyl)-5H-pyrido[4,3-c][1,8]phenanthrolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(3-chlorophenylphenyl)-[4,3-c][1,8]phenanthroline-6-one",NA,"C1=CC(=CC(=C1)Cl)C2=C3C4=C(C=CN=C4)C(=O)NC3=C5C=CN=CC5=C2","PSDRZBADCRPKGT-UHFFFAOYSA-N",155817176,NA,"PDBC11082","784604","Present",NA,NA
+"11083","11-(3-Methoxyphenyl)-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-hydroxyethyl)-10-(3-methoxyphenyl)-2,3,7,10-tetrahy...",NA,"COC1=CC=CC(=C1)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4","LFLKZTIFAOFDNF-UHFFFAOYSA-N",50900910,NA,"PDBC11083","750722","Present",NA,NA
+"11084","11-(3-Nitrophenyl)benzo[a]carbazole-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo[a]carbazole-1,4-dione, 4,11-dihydro- 11-(3-nitr...",NA,"C1=CC=C2C(=C1)C3=C(N2C4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O","YVNATEYMHZWDEJ-UHFFFAOYSA-N",378583,NA,"PDBC11084","661223","Present",NA,NA
+"11085","11-(4'-Aminobutylidene)-5,3-dimethoxy-6-me thyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4'-Aminobutylidene)-5,6-dihydro-5-oxo-2,3-dimethoxy-...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCN)C4=CC5=C(C=C42)OCO5","ZNZJHMVLEVDSND-AWNIVKPZSA-N",45027844,NA,"PDBC11085","727621","Present",NA,NA
+"11086","11-(4'-Bromobutylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4'-Bromobutylidene)-5,6-dihydro-2,3-dimethoxy-6-meth...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCBr)C4=CC5=C(C=C42)OCO5","RSBWWFKWURUQER-AWNIVKPZSA-N",10896187,NA,"PDBC11086","720325","Present",NA,NA
+"11087","11-(4'-Iodobutylidene)-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4'-Iodobutylidene)-5,6-dihydro-2,3-dimethoxy-6-methy...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCI)C4=CC5=C(C=C42)OCO5","IOHJNQPDGUGBMV-AWNIVKPZSA-N",5472476,NA,"PDBC11087","719211","Present",NA,NA
+"11088","11-(4'-Methylaminobutylidene)-5,3-dimethox y-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4'-Methylaminobutylidene)-5,6-dihydro-5-oxo-2,3-dime...",NA,"CNCCCC=C1C2=CC3=C(C=C2C4=C1C5=CC(=C(C=C5C(=O)N4C)OC)OC)OCO3","PHIGKJCNGJFDGA-VGOFMYFVSA-N",45027845,NA,"PDBC11088","727622","Present",NA,NA
+"11089","11-(4-Benzoylphenyl)benzo[a]carbazole-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Benzoylphenyl)benzo[a]carbazole-1,4-dione",NA,"C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C(=O)C=CC6=O","RJQNGGVSKXKZSI-UHFFFAOYSA-N",397018,NA,"PDBC11089","704281","Present",NA,NA
+"11090","11-(4-Chlorophenyl)-11H-isoindolo[2,1-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Chlorophenyl)-11H-isoindolo[2,1-a]benzimidazole hydrochloride",NA,"C1=CC=C2C(=C1)C(N3C2=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl.Cl","ONBGXRCRBFEMNM-UHFFFAOYSA-N",395626,NA,"PDBC11090","700411","Present",NA,NA
+"11091","11-(4-Chlorophenyl)-12,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Chlorophenyl)-12,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9-pentaen-16-one",NA,"C1CN2C(=O)C3=CC4=CC=CC=C4C=C3C2(N1)C5=CC=C(C=C5)Cl","MJYUYNNPUNFARL-UHFFFAOYSA-N",395645,NA,"PDBC11091","700427","Present",NA,NA
+"11092","11-(4-Chlorophenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Chlorophenyl)-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one",NA,"C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=C(C=C6)Cl","FWBHYMXVWQTXCL-UHFFFAOYSA-N",54608892,NA,"PDBC11092","697272","Present",NA,NA
+"11093","11-(4-Chlorophenyl)imino-14-methyl-15-phenyl-10,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,8,12-hexaen-16-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Chlorophenyl)imino-14-methyl-15-phenyl-10,12,14,15-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(17),2,4,6,8,12-hexaen-16-one",NA,"CN1C2=NC(=NC3=CC=C(C=C3)Cl)N4C=CC5=CC=CC=C5C4=C2C(=O)N1C6=CC=CC=C6","JHBWFURRDLGFEY-UHFFFAOYSA-N",386668,NA,"PDBC11093","679195","Present",NA,NA
+"11094","11-(4-Chlorophenyl)isoindolo[2,3-a]benzimidazol-11-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Chlorophenyl)isoindolo[2,3-a]benzimidazol-11-ol",NA,"C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C2(C5=CC=C(C=C5)Cl)O","KZVAORHWOZQQCC-UHFFFAOYSA-N",395625,NA,"PDBC11094","700410","Present",NA,NA
+"11095","11-(4-Dimethylaminobenzyliden)-8-methoxy-5-methyl-11H-indolo [1,2-b]indazolium trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-dimethylaminobenzyliden)-8-methoxy-5-methyl-11H-in...",NA,"C[N+]1=C2C=C(C=CC2=C3N1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C)OC.C(F)(F)(F)S(=O)(=O)[O-]","RFZPAEVEBWMZQT-UHFFFAOYSA-M",24202849,NA,"PDBC11095","726089","Present",NA,NA
+"11096","11-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Fluoro-6-(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-yl)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole",NA,"C1COCCOCCOCCOCCN1C2=NC(=NC(=N2)C3=C4C=CC=CC4=C5N3C6=CC=CC=C6S5)F","YTJOBELHAALESR-UHFFFAOYSA-N",377183,NA,"PDBC11096","658409","Present",NA,NA
+"11097","11-(4-Fluoro-6-(9H-purin-6-ylthio)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Fluoro-6-(9H-purin-6-ylthio)-1,3,5-triazin-2-yl)isoindolo[1,2-b][1,3]benzothiazole",NA,"C1=CC=C2C(=C1)N3C(=C4C=CC=CC4=C3S2)C5=NC(=NC(=N5)SC6=NC=NC7=C6NC=N7)F","QONWIXBYJFPZDE-UHFFFAOYSA-N",377207,NA,"PDBC11097","658437","Present",NA,NA
+"11098","11-(4-Fluoroanilino)-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzimidazo[1,2-b]isoquinoline-6-carbonitrile, 7,8,9,10-...",NA,"C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=C(C=C5)F","WSRXXOKBOGAAQK-UHFFFAOYSA-N",387851,NA,"PDBC11098","682011","Present",NA,NA
+"11099","11-(4-Morpholinyl)-11H-indeno[1,2-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Morpholinyl)-11H-indeno[1,2-b]quinoline",NA,"C1COCCN1C2C3=CC=CC=C3C4=NC5=CC=CC=C5C=C24","GCVZMKPZSVQVNL-UHFFFAOYSA-N",245879,NA,"PDBC11099","58255","Present",NA,NA
+"11100","11-(4-Nitro-9-oxo-9,10-dihydro-acridin-1-ylamino)-undecanoic acid 5-acetylamino-6-benzyloxy-4-{1-[1-(1-benzyloxycarbonyl-3-carbamoyl-propylcarbamoyl)-ethylcarbamoyl]-ethoxy}-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Acetamido-4-[1-[[1-[(5-amino-1,5-dioxo-1-phenylmethoxypentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-3-hydroxy-6-phenylmethoxyoxan-2-yl]methyl 11-[(4-nitro-9-oxo-10H-acridin-1-yl)a",NA,"CC(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC2C(C(OC(C2O)COC(=O)CCCCCCCCCCNC3=C4C(=C(C=C3)[N+](=O)[O-])NC5=CC=CC=C5C4=O)OCC6=CC=CC=C6)NC(=O)C","TXEAVDGAHVNGFO-UHFFFAOYSA-N",370037,NA,"PDBC11100","642599","Present",NA,NA
+"11101","11-(5'-Aminopentylidene)-5,3-dimethoxy-t-methyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(5'-Aminopentylidene)-5,6-dihydro-2,3-dimethoxy-t-met...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCN)C4=CC5=C(C=C42)OCO5","LWZZVGRLAQAFSE-VGOFMYFVSA-N",45027861,NA,"PDBC11101","729635","Present",NA,NA
+"11102","11-(6'-Aminohexylidene]-5,3-dimethoxy-6-m ethyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(6'-Aminohexylidene]-5,6-dihydro-5-keto-2,3-dimethoxy...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCCN)C4=CC5=C(C=C42)OCO5","HYKMWCYLCUWAHH-OVCLIPMQSA-N",45027835,NA,"PDBC11102","727049","Present",NA,NA
+"11103","11-(Dimethylamino)-1,11a-dihydro-5H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,"CN(C)C1=NC2=CC=CC=C2C(=S)N3C1CSC3","FIFBKXOSVMXIKZ-UHFFFAOYSA-N",388503,NA,"PDBC11103","683488","Present",NA,NA
+"11104","11-(Hydroxymethyl)-4,4,6,6-tetra(propan-2-yl)-3,5,7,10,18-pentaoxa-12,16-diaza-4,6-disilatetracyclo[9.7.0.02,9.012,17]octadeca-13,16-dien-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6aR-(6a.alpha.,7a.alpha.,13a.alpha.,13b.beta.)]-6a,7a,1...",NA,"CC(C)[Si]1(OCC2C(C3C(O2)(N4C=CC(=O)N=C4O3)CO)O[Si](O1)(C(C)C)C(C)C)C(C)C","YPGWLSDQTPCAJF-UHFFFAOYSA-N",496654,NA,"PDBC11104","696552","Present",NA,NA
+"11105","11-(Methylamino)-1,11a-dihydro-5H-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-10-one",NA,"CN=C1C2CSCN2C(=O)C3=CC=CC=C3N1","DNKYEJKYWUELHY-UHFFFAOYSA-N",135435554,NA,"PDBC11105","683487","Present",NA,NA
+"11106","11-Amino-15-(dicyanomethylidene)-1-methyl-8-oxa-12,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,13-hexaene-10,14-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedinitrile, [5-amino-3,6-dicyano-1,2,4-trihydro-11...",NA,"CC12C3=CC=CC=C3OC4=C1C(=C(C(=C(C#N)C#N)N2)C#N)NC(=C4C#N)N","JAWXIUAFXQWDRG-UHFFFAOYSA-N",389421,NA,"PDBC11106","685503","Present",NA,NA
+"11107","11-Amino-4,6-dimethyl-13-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Amino-4,6-dimethyl-13-phenyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaene-12-carbonitrile",NA,"CC1=CC(=NC2=C3C(=C(C(=NC3=NN12)N)C#N)C4=CC=CC=C4)C","BZNFMOUDQBIYFN-UHFFFAOYSA-N",395924,NA,"PDBC11107","701019","Present",NA,NA
+"11108","11-Aminocarbonylmethylen-11H-indolo[1,2-a]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Aminocarbonylmethylen-11H-indolo[1,2-a]indazole",NA,"C1=CC=C2C(=C1)C(=CC(=O)N)C3=C4C=CC=CC4=NN23","RIALFJJNUAQMNT-XFXZXTDPSA-N",5472502,NA,"PDBC11108","719691","Present",NA,NA
+"11109","11-Azido-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Azido-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile",NA,"C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N=[N+]=[N-]","PJFWRWSCJTVZGM-UHFFFAOYSA-N",364725,NA,"PDBC11109","631383","Present",NA,NA
+"11110","11-Benzoyl-4-ethylsulfanyl-6-methyl-17-oxa-6,11-diazapentacyclo[7.6.1.14,7.02,7.012,16]heptadeca-1(16),12,14-trien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Benzoyl-4-ethylsulfanyl-6-methyl-17-oxa-6,11-diazapentacyclo[7.6.1.14,7.02,7.012,16]heptadeca-1(16),12,14-trien-5-one",NA,"CCSC12CC3C4=C5C(CC3(O1)N(C2=O)C)CN(C5=CC=C4)C(=O)C6=CC=CC=C6","PSORSYJKNJMUHN-UHFFFAOYSA-N",397446,NA,"PDBC11110","705304","Present",NA,NA
+"11111","11-Benzoyl-5-methylisoindolo[2,1-a]quinoxalin-6(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Benzoyl-5-methylisoindolo[2,1-a]quinoxalin-6(5H)-one",NA,"CN1C2=CC=CC=C2N3C(=C4C=CC=CC4=C3C(=O)C5=CC=CC=C5)C1=O","UQDAKFYKLTXINQ-UHFFFAOYSA-N",370372,NA,"PDBC11111","643437","Present",NA,NA
+"11112","11-Benzyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Benzyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C=CC5=O","DNRIEXQBNHKTMC-UHFFFAOYSA-N",376312,NA,"PDBC11112","657026","Present",NA,NA
+"11113","11-Benzyl-2,3-dimethyl-8,9-dihydro-7H-pyrazino[2,3-a]carbazole-5,6,10-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Benzyl-2,3-dimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione",NA,"CC1=C(N=C2C(=N1)C3=C(C4=C(N3CC5=CC=CC=C5)C(=O)CCC4)C(=O)C2=O)C","OTIVGUJQNBINMY-UHFFFAOYSA-N",405346,NA,"PDBC11113","722569","Present",NA,NA
+"11114","11-Benzyl-5-hydroxy-2,3-dimethyl-8,9-dihydro-7H-pyrazino[2,3-a]carbazol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Benzyl-2,3-dimethyl-7,8,9,11-tetrahydro-1h-pyrazino[2,3-a]carbazole-5,10-dione",NA,"CC1=NC2=C(C=C3C4=C(C(=O)CCC4)N(C3=C2N=C1C)CC5=CC=CC=C5)O","HRHGPDZSDMQFSX-UHFFFAOYSA-N",135426815,NA,"PDBC11114","720174","Present",NA,NA
+"11115","11-Bromo-N-vanillyl-10-undecenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-158467",NA,"COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCC=CBr)O","XMODDDKIFUQQLF-UKTHLTGXSA-N",5886580,NA,"PDBC11115","659191","Present",NA,NA
+"11116","11-Butyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Butyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CCCCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O","UXCKUUWPUKMVIS-UHFFFAOYSA-N",373632,NA,"PDBC11116","650352","Present",NA,NA
+"11117","11-Carboxymethylen-11H-indolo[1,2-a]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Carboxymethylen-11H-indolo[1,2-a]indazole",NA,"C1=CC=C2C(=C1)C(=CC(=O)O)C3=C4C=CC=CC4=NN23","RFKGFCWDDYBHQW-XFXZXTDPSA-N",5472500,NA,"PDBC11117","719689","Present",NA,NA
+"11118","11-Chloro-10-methyl-10H-indolo[3,2-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Chloro-10-methyl-10H-indolo[3,2-b]quinoline",NA,"CN1C2=CC=CC=C2C3=NC4=CC=CC=C4C(=C31)Cl","KPRCLSULWXGYKE-UHFFFAOYSA-N",384477,NA,"PDBC11118","674281","Present",NA,NA
+"11119","11-Chloro-10H-indolo[3,2-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-chloro-10H-indolo[3,2-b]quinoline",NA,"C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C(=C3N2)Cl","DUMZYVAZBKDIQG-UHFFFAOYSA-N",5454187,NA,"PDBC11119","693852","Present",NA,NA
+"11120","11-Chloro-2,3-dimethyl-5,5a,7,8,9,10-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Chloro-2,3-dimethyl-5,5a,7,8,9,10-hexahydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(N2)C(=C4CCCCC4=C3Cl)C#N","SVXUUVNHTAJYNR-UHFFFAOYSA-N",387847,NA,"PDBC11120","682007","Present",NA,NA
+"11121","11-Chloro-4,12-diethyl-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,1...",NA,"CCC1C2=C(COC1=O)C(=O)N3C(C4=C(C5=CC=CC=C5N=C4C3=C2)Cl)CC","DMEFYKZHPYTSLZ-UHFFFAOYSA-N",317563,NA,"PDBC11121","249913","Present",NA,NA
+"11122","11-Chloro-4-ethyl-3-hydroxy-1,3,4,12-tetrahydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinolin-14(12H)-on...",NA,"CCC1C(OCC2=C1C=C3C4=NC5=CC=CC=C5C(=C4CN3C2=O)Cl)O","NVUCXWARTRYWFI-UHFFFAOYSA-N",317561,NA,"PDBC11122","249911","Present",NA,NA
+"11123","11-Cyano-2,3-dichloro-7-azaisoindolo[2,1-c]benzo[1,2,4]triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Cyano-2,3-dichloro-7-azaisoindolo[2,1-c]benzo[1,2,4]t...",NA,"C1=CC2=C(N3C4=CC(=C(C=C4N=NC3=C2N=C1)Cl)Cl)C#N","PKBYQSQYWNWWBO-UHFFFAOYSA-N",60147944,NA,"PDBC11123","753211","Present",NA,NA
+"11124","11-Cyanomethylen-11H-indolo[1,2-a]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Cyanomethylen-11H-indolo[1,2-a]indazole",NA,"C1=CC=C2C(=C1)C(=CC#N)C3=C4C=CC=CC4=NN23","YHSSELMFFNKMFD-XFXZXTDPSA-N",5472501,NA,"PDBC11124","719690","Present",NA,NA
+"11125","11-Cyanomethylen-2-methoxy-6-methyl-11H-indolo[1,2-b]indazol ium trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Cyanomethylen-2-methoxy-6-methyl-11H-indolo[1,2-b]ind...",NA,"C[N+]1=C2C=CC=CC2=C3N1C4=C(C3=CC#N)C=C(C=C4)OC.C(F)(F)(F)S(=O)(=O)[O-]","AZWLWIIRUMHRKC-CHHCPSLASA-M",5472729,NA,"PDBC11125","721154","Present",NA,NA
+"11126","11-Cyanomethylen-6-methyl-11H-indolo[1,2-b]indazolium trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Cyanomethylen-6-methyl-11H-indolo[1,2-b]indazolium tr...",NA,"C[N+]1=C2C=CC=CC2=C3N1C4=CC=CC=C4C3=CC#N.C(F)(F)(F)S(=O)(=O)[O-]","NAJPKONPVHLSQW-ALUHPYBCSA-M",5472519,NA,"PDBC11126","720053","Present",NA,NA
+"11127","11-Demethylellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-dimethylellipticine",NA,"CC1=C2C=CN=CC2=CC3=C1NC4=CC=CC=C43","IWBSLSHNIIOYRW-UHFFFAOYSA-N",77917,NA,"PDBC11127","87206","Present",NA,NA
+"11128","11-Deoxyclitoriacetal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Deoxyclitoriacetal",NA,"COC1=CC2=C(C=C1)C(=O)C3(C(O2)C(OC4=CC(=C(C=C43)OC)OC)O)O","DKNLJCRQRYRUNC-KGNCLDLBSA-N",397343,NA,"PDBC11128","704946","Present",NA,NA
+"11129","11-Ethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Ethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O","XMXDDIRXAZIYCB-UHFFFAOYSA-N",375749,NA,"PDBC11129","655896","Present",NA,NA
+"11130","11-Ethyl-3,11,13-triazapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),4,6,8,12,14,16,18,20-nonaene-2,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-5H-benzo[g]quinazolino[2,1-b]quinazoline-5,14(6H)-dione",NA,"CCN1C(=O)C2=CC=CC=C2N3C1=NC4=CC5=CC=CC=C5C=C4C3=O","BRHHKRJUKZQCLZ-UHFFFAOYSA-N",371164,NA,"PDBC11130","645165","Present",NA,NA
+"11131","11-Ethyl-4,5,12-trimethyl-6-thia-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Ethyl-4,5,12-trimethyl-6-thia-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one",NA,"CCN1CC2=NC3=C(C(=C(S3)C)C)C(=O)N2C=C1C","KSNNLSHENDESFZ-UHFFFAOYSA-N",45028557,NA,"PDBC11131","743244","Present",NA,NA
+"11132","11-Heptyl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Heptyl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14(19),15,17-decaen-20-one",NA,"CCCCCCCC1=CC2=C3C(=N1)C4=C(C=CC=N4)C(=O)C3=NC5=CC=CC=C52","RUODLUXNYXJRIH-UHFFFAOYSA-N",54608959,NA,"PDBC11132","697270","Present",NA,NA
+"11133","11-Hydroxy aclacinomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Hydroxy aclacinomycin A",NA,"CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O","DGBFPZUOWZFVHF-UHFFFAOYSA-N",438788,NA,"PDBC11133","670121","Present",NA,NA
+"11134","11-Hydroxy aclacinomycin X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Hydroxy aclacinomycin X",NA,"CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7C(=CC(=O)C(O7)C)N)O)N(C)C)O","LPFZXQBRNYTAKP-UHFFFAOYSA-N",438789,NA,"PDBC11134","670122","Present",NA,NA
+"11135","11-Hydroxy-5,6-dihydrobenzo[b][1]benzophosphepine 11-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Hydroxy-5,6-dihydrobenzo[b][1]benzophosphepine 11-oxide",NA,"C1CC2=CC=CC=C2P(=O)(C3=CC=CC=C31)O","FDCCXBNBWLWDGD-UHFFFAOYSA-N",380781,NA,"PDBC11135","666491","Present",NA,NA
+"11136","11-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[5,6-f]indolizine-7,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[6,5-f]indolizine-7,10-dione",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C(=C3C(=O)C5N2C(=O)CC5)O)OCO4","BARMBVQBEBSKCX-UHFFFAOYSA-N",384205,NA,"PDBC11136","673610","Present",NA,NA
+"11137","11-Hydroxymethyl-20(RS)-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606173",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C=CC5=C4)CO)O","OMGTYUHDWOFQOZ-UHFFFAOYSA-N",354395,NA,"PDBC11137","606173","Present",NA,NA
+"11138","11-Hydroxyusambarine Chlorhydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-hydroxyusambarine Chlorhydrate",NA,"CN1CCC2=C(C1CC3CC4C5=C(CCN4CC3C=C)C6=C(N5)C=C(C=C6)O)NC7=CC=CC=C27.Cl","JGPOLZGFOQNTIX-SQLTZDDBSA-N",401426,NA,"PDBC11138","715082","Present",NA,NA
+"11139","11-Hydroxyvittatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Hydroxyvittatine",NA,"C1C(C=CC23C1N(CC2O)CC4=CC5=C(C=C34)OCO5)O","KWAOMPWGIIXDPH-PMQCVPOWSA-N",402595,NA,"PDBC11139","716725","Present",NA,NA
+"11140","11-Imino-1,3-dimethyl-11H-purino[8,9-b][1,3]benzothiazine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Imino-1,3-dimethyl-11H-purino[8,9-b][1,3]benzothiazine-2,4(1H,3H)-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)N=C3N2C(=N)C4=CC=CC=C4S3","KKXXGJNITNOJBF-UHFFFAOYSA-N",366230,NA,"PDBC11140","634566","Present",NA,NA
+"11141","11-Methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-12-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),3,5,7,9,11-hexaen-12-ol;hydrochloride",NA,"CN1C=CC2=NC=CC3=CC(=C(C1=C32)O)OC.Cl","QDPIFMPJXXTUPE-UHFFFAOYSA-N",395376,NA,"PDBC11141","699879","Present",NA,NA
+"11142","11-Methoxy-5-methylindolo[2,3-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methoxy-5-methylindolo[2,3-b]quinoline",NA,"CN1C2=CC=CC=C2C(=C3C1=NC4=CC=CC=C43)OC","YBUBMZFXFWHSLS-UHFFFAOYSA-N",24204055,NA,"PDBC11142","730512","Present",NA,NA
+"11143","11-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol",NA,"COC1=CC=CC2=C1OC3C4=CC=CC=C4OCC3(C2)O","JMFKDROYJIGIGN-UHFFFAOYSA-N",387599,NA,"PDBC11143","681608","Present",NA,NA
+"11144","11-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,"COC1=CC=CC2=C1OC3C(C2)COC4=CC=CC=C34","PIIUHUKEIRFHOR-UHFFFAOYSA-N",387589,NA,"PDBC11144","681598","Present",NA,NA
+"11145","11-Methoxycarbonylmethylen-11H-indolo[1,2-a]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methoxycarbonylmethylen-11H-indolo[1,2-a]indazole",NA,"COC(=O)C=C1C2=CC=CC=C2N3C1=C4C=CC=CC4=N3","INQZKASVWJPXML-RAXLEYEMSA-N",5472499,NA,"PDBC11145","719688","Present",NA,NA
+"11146","11-Methoxycarbonylmethylene-6-methyl-11H-indolo[1,2-b]indazo lium trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methoxycarbonylmethylene-6-methyl-11H-indolo[1,2-b]in...",NA,"C[N+]1=C2C=CC=CC2=C3N1C4=CC=CC=C4C3=CC(=O)OC.C(F)(F)(F)S(=O)(=O)[O-]","IRSGEWKLQWKZMJ-IRIIKGHASA-M",5472517,NA,"PDBC11146","720052","Present",NA,NA
+"11147","11-Methoxyrutecarprine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methoxyrutecarprine",NA,"COC1=CC2=C(C=C1)C3=C(N2)C4=NC5=CC=CC=C5C(=O)N4CC3","POMASUJAYQAJQZ-UHFFFAOYSA-N",378228,NA,"PDBC11147","660031","Present",NA,NA
+"11148","11-Methoxyyangonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trimethylhispidin",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=CC(=O)O2)OC)OC","GBJRDULCMRSYSL-GQCTYLIASA-N",5458436,NA,"PDBC11148","212503","Present",NA,NA
+"11149","11-Methyl-1,2,5,6,11,11b-hexahydro-3H-indolizino[8,7-b]indol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methyl-1,2,5,6,11,11b-hexahydro-3H-indolizino[8,7-b]indol-3-one",NA,"CN1C2=CC=CC=C2C3=C1C4CCC(=O)N4CC3","MKKDUNSRDKAXAQ-UHFFFAOYSA-N",372332,NA,"PDBC11149","647390","Present",NA,NA
+"11150","11-Methyl-14-aza-11-azoniatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10-hexaen-15-one;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methyl-14-aza-11-azoniatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8,10-hexaen-15-one;iodide",NA,"C[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C(=O)N2CC1.[I-]","VVNGLMLNQCKFKJ-UHFFFAOYSA-M",364083,NA,"PDBC11150","629723","Present",NA,NA
+"11151","11-Methyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one",NA,"CC1=CC2=C3C(=N1)C4=CC=CC=C4C(=O)C3=NC5=CC=CC=C52","VAWGDTJYTXTRFB-UHFFFAOYSA-N",390073,NA,"PDBC11151","687015","Present",NA,NA
+"11152","11-Methyl-2-nitronaphtho[2,3-e][1]benzofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methyl-2-nitronaphtho[2,3-e][1]benzofuran",NA,"CC1=C2C(=CC3=CC=CC=C13)C=CC4=C2C=C(O4)[N+](=O)[O-]","GHUHGLBIWSDWGG-UHFFFAOYSA-N",360398,NA,"PDBC11152","622463","Present",NA,NA
+"11153","11-Methyl-2-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methyl-2-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=C(C4=O)C5=CC=CC=C5","AEUYMLBXPGCLDR-UHFFFAOYSA-N",375752,NA,"PDBC11153","655899","Present",NA,NA
+"11154","11-Methyl-4-(2-pyridinyl)-6H-pyrido[1,2-b]isoquinolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methyl-4-(2-pyridinyl)-6H-pyrido[1,2-b]isoquinolin-6-one",NA,"CC1=C2C=CC=C(N2C(=O)C3=CC=CC=C13)C4=CC=CC=N4","ODAFQNKVXSIINS-UHFFFAOYSA-N",374145,NA,"PDBC11154","651602","Present",NA,NA
+"11155","11-Methyl-5-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methyl-5-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CN1C2=CC=CC=C2C3=CC(=C4C(=O)C=CC(=O)C4=C31)C5=CC=CC=C5","WLMXMMYUNSNZSZ-UHFFFAOYSA-N",372653,NA,"PDBC11155","648150","Present",NA,NA
+"11156","11-Methyl-6,7,8,11-tetrahydro-8,9,11-triaza-5H-benzo[a]fluorene-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Methyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one",NA,"CN1C2=C(C3=C1C4=CC=CC=C4CC3)C(=O)NN=C2","RVTSOXLBZPXIKR-UHFFFAOYSA-N",401976,NA,"PDBC11156","715663","Present",NA,NA
+"11157","11-Methyl-6-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methyl-6-phenyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CN1C2=CC=CC=C2C3=C1C4=C(C=C3C5=CC=CC=C5)C(=O)C=CC4=O","COGCSINBDKTCRW-UHFFFAOYSA-N",378585,NA,"PDBC11157","661225","Present",NA,NA
+"11158","11-Methyl-8,11-dihydro-8,9,11-triaza-7H-benzo[a]fluorene-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Methyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one",NA,"CN1C2=C(C3=C1C4=CC=CC=C4C=C3)C(=O)NN=C2","UONMHZZBOZMGFW-UHFFFAOYSA-N",403909,NA,"PDBC11158","719502","Present",NA,NA
+"11159","11-Methylbenz[a]anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: L D6 B666J E1",NA,"CC1=C2C=C3C(=CC2=CC=C1)C=CC4=CC=CC=C43","ARHCZXQENFEAFA-UHFFFAOYSA-N",22488,NA,"PDBC11159","409455","Present",NA,NA
+"11160","11-Methylbenzimidazolo[1,2-b]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methylbenzimidazo[1,2-b]isoquinoline",NA,"CC1=C2C=CC=CC2=CC3=NC4=CC=CC=C4N13","RPGDRAFLOZLDMO-UHFFFAOYSA-N",379117,NA,"PDBC11160","663331","Present",NA,NA
+"11161","11-Methylindolo[1,2-b][1,2]benzothiazole 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methylindolo[1,2-b][1,2]benzothiazole 5,5-dioxide",NA,"CC1=C2C3=CC=CC=C3S(=O)(=O)N2C4=CC=CC=C14","PNULHKROQUGLMS-UHFFFAOYSA-N",396902,NA,"PDBC11161","704081","Present",NA,NA
+"11162","11-Methylpyrido[2,3-b]acridine-5,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methylpyrido[2,3-b]acridine-5,12-dione",NA,"CC1=C2C(=NC3=CC=CC=C13)C(=O)C4=C(C2=O)N=CC=C4","PPOGFOSNBVRYBG-UHFFFAOYSA-N",378075,NA,"PDBC11162","659780","Present",NA,NA
+"11163","11-Methylspiro[1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13,2'-1,3-dioxolane]-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Methylspiro[1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-13,2'-1,3-dioxolane]-2-one",NA,"CN1C2=CC=CC=C2C3=C1C4(CC5CCCN(C5)C(=O)C3)OCCO4","VCRBRKFJEQEARX-UHFFFAOYSA-N",393323,NA,"PDBC11163","694988","Present",NA,NA
+"11164","11-Naphthalen-2-yl-12,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,15-hexaen-11-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Naphthalen-2-yl-12,15-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,8,15-hexaen-11-ol",NA,"C1CN2C(=N1)C3=C(C2(C4=CC5=CC=CC=C5C=C4)O)C=CC6=CC=CC=C63","AYESQVUVFADUMC-UHFFFAOYSA-N",403508,NA,"PDBC11164","718508","Present",NA,NA
+"11165","11-Nitro-4,9,13,18-tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),2,8,10,13-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Nitro-4,9,13,18-tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),2,8,10,13-pentaene",NA,"C1CC2=NC3=C(C4=C(C=C3N2C1)N5CCCC5=N4)[N+](=O)[O-]","ICOXOGBMLFBWQC-UHFFFAOYSA-N",383327,NA,"PDBC11165","671436","Present",NA,NA
+"11166","11-Nitronoracronycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Nitronoracronycin",NA,"CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CC=C4[N+](=O)[O-])C)O)C","FGHCFTMHOSQNGT-UHFFFAOYSA-N",5387300,NA,"PDBC11166","622482","Present",NA,NA
+"11167","11-Oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-15-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Oxa-13,14-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,8,12,14,16-octaen-15-amine",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C4C(=NN=C4O3)N","VDICSHGEICAPMX-UHFFFAOYSA-N",397108,NA,"PDBC11167","704421","Present",NA,NA
+"11168","11-Oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Oxa-15-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,17-heptaene-14,16-dione",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C4C(=CC(=O)NC4=O)O3","PXJYQSVXCUCADW-UHFFFAOYSA-N",399163,NA,"PDBC11168","709582","Present",NA,NA
+"11169","11-Oxo-5,7,9-triphenyl-2,3,4,5,8,9-hexahydro-1H-cyclopenta[5',6']pyrido[3',4':3,4]pyrrolo[1,2-a][1,3,5]triazine-5a,11a(7H,11H)-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Oxo-8,12,14-triphenyl-7,11,13,15-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-2(6),10-diene-1,9-dicarbonitrile",NA,"C1CC2=C(C1)NC(C3(C2(C(=O)N4C3=NC(NC4C5=CC=CC=C5)C6=CC=CC=C6)C#N)C#N)C7=CC=CC=C7","XDIUBHDVWYUOJM-UHFFFAOYSA-N",394336,NA,"PDBC11169","697705","Present",NA,NA
+"11170","11-Oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2-propan-2-ylpyrido[2,1-b]quinazoline-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isopropyl-11-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]-11H-pyrido[2,1-b]quinazoline-8-carboxamide",NA,"CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)NCCN4CCN(CC4)C5=CC=CC=C5","XYYIYKRFSGVWQQ-UHFFFAOYSA-N",353192,NA,"PDBC11170","600684","Present",NA,NA
+"11171","11-Phenyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-phenyl-",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C=CC5=O","DJPKUBKDRCRYKZ-UHFFFAOYSA-N",369537,NA,"PDBC11171","641394","Present",NA,NA
+"11172","11-Phenyl-4-(2-hydroxyethyl)-4,7,8,11-tetrahydro-3H-2,6,9-trioxa-4-aza-1H-cyclopenta[b]anthracene-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-hydroxyethyl)-10-phenyl-2,3,7,10-tetrahydro-[1,4]di...",NA,"C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC=CC=C5","CXXCBXYIACNDLN-UHFFFAOYSA-N",50900911,NA,"PDBC11172","750723","Present",NA,NA
+"11173","11-Phenyl-5,6-dihydrobenzo[b][1]benzophosphepine 11-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Phenyl-5,6-dihydrobenzo[b][1]benzophosphepine 11-oxide",NA,"C1CC2=CC=CC=C2P(=O)(C3=CC=CC=C31)C4=CC=CC=C4","GBBBNSRLICSQNJ-UHFFFAOYSA-N",380782,NA,"PDBC11173","666492","Present",NA,NA
+"11174","11-Phenyl-9,11,13-triazatricyclo[6.5.2.09,13]pentadec-14-ene-10,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Phenyl-9,11,13-triazatricyclo[6.5.2.09,13]pentadec-14-ene-10,12-dione",NA,"C1CCCC2C=CC(CC1)N3N2C(=O)N(C3=O)C4=CC=CC=C4","KCCBRKZILJEGQS-UHFFFAOYSA-N",392963,NA,"PDBC11174","694177","Present",NA,NA
+"11175","11-Propyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Propyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CCCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O","UJDZXYIUJYYTJX-UHFFFAOYSA-N",378582,NA,"PDBC11175","661222","Present",NA,NA
+"11176","11-Trimethylsilyloxy-1,2,5,10,11,11a-hexahydroindolizino[7,6-b]indol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Trimethylsilyloxy-1,2,5,10,11,11a-hexahydroindolizino[7,6-b]indol-3-one",NA,"C[Si](C)(C)OC1C2CCC(=O)N2CC3=C1NC4=CC=CC=C34","WZRKREYZTTURKG-UHFFFAOYSA-N",393644,NA,"PDBC11176","695855","Present",NA,NA
+"11177","11-[(1-Nitro-9-oxo-9,10-dihydro-acridine-4-carbonyl)-amino]-undecanoic acid 5-acetylamino-4-{1-[1-(1-benzyloxycarbonyl-3-carbamoyl-propylcarbamoyl)-2-methyl-propylcarbamoyl]-ethoxy}-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Acetamido-4-[1-[[1-[(5-amino-1,5-dioxo-1-phenylmethoxypentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]oxy-3-hydroxyoxan-2-yl]methyl 11-[(1-nitro-9-oxo-10H-acridine-4-carbonyl)am",NA,"CC(C)C(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC2C(COC(C2O)COC(=O)CCCCCCCCCCNC(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C(=O)C5=CC=CC=C5N4)NC(=O)C","BYEKHHDEJSWEMQ-UHFFFAOYSA-N",3774228,NA,"PDBC11177","642600","Present",NA,NA
+"11178","11-[(3-Nitrophenyl)methyl]benzo[a]carbazole-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[(3-Nitrophenyl)methyl]benzo[a]carbazole-1,4-dione",NA,"C1=CC=C2C(=C1)C3=C(N2CC4=CC(=CC=C4)[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O","KDHBQQPXHFVUSW-UHFFFAOYSA-N",376314,NA,"PDBC11178","657028","Present",NA,NA
+"11179","11-[(4-Nitrophenyl)methyl]benzo[a]carbazole-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11H-Benzo[a]carbazole-1,4-dione, 11-[(4-nitrophenyl) met...",NA,"C1=CC=C2C(=C1)C3=C(N2CC4=CC=C(C=C4)[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O","NFFMOEIJKKYUAA-UHFFFAOYSA-N",376313,NA,"PDBC11179","657027","Present",NA,NA
+"11180","11-[(5E,7E,13E,19E,25S,29S)-29-Hydroxy-3,15,17,21,23-pentamethoxy-5,12,18,24-tetramethyl-9,27-dioxo-10,26-dioxabicyclo[23.3.1]nonacosa-1(28),5,7,13,19-pentaen-11-yl]-4,10-dimethoxy-5,9-dimethyl-6-oxododecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,26-Dioxabicyclo[23.3.1]nonacosa- 5,7,13,19,28-pentaen...",NA,"CC1C=CC(CC(C(C2C(C(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CCC(=O)O)OC)OC)C)OC)O)C)OC)OC","BTCBWTQHGCKHEF-KWPBQSASSA-N",5470863,NA,"PDBC11180","705973","Present",NA,NA
+"11181","11-[(9-Oxo-9,10-dihydro-acridine-4-carbonyl)-amino]-undecanoic acid 5-acetylamino-6-benzyloxy-4-{1-[1-(1,3-dicarbamoyl-propylcarbamoyl)-ethylcarbamoyl]-ethoxy}-3-hydroxy-tetrahydro-pyran-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Acetamido-4-[1-[[1-[(1,5-diamino-1,5-dioxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]oxy-3-hydroxy-6-phenylmethoxyoxan-2-yl]methyl 11-[(9-oxo-10H-acridine-4-carbonyl)amino]undecano",NA,"CC(C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(C)OC1C(C(OC(C1O)COC(=O)CCCCCCCCCCNC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O)OCC5=CC=CC=C5)NC(=O)C","SDHRTXAGAGFCNV-UHFFFAOYSA-N",370038,NA,"PDBC11181","642601","Present",NA,NA
+"11182","11-[(E)-2-Phenylethenyl]-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[(E)-2-Phenylethenyl]-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,16,18-decaen-20-one",NA,"C1=CC=C(C=C1)C=CC2=CC3=C4C(=N2)C5=CC=CC=C5C(=O)C4=NC6=CC=CC=C63","XYUNDISHDLGFBM-CCEZHUSRSA-N",5469360,NA,"PDBC11182","687016","Present",NA,NA
+"11183","11-[12-(1,4-Dioxobenzo[a]carbazol-11-yl)dodecyl]benzo[a]carbazole-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[12-(1,4-Dioxobenzo[a]carbazol-11-yl)dodecyl]benzo[a]carbazole-1,4-dione",NA,"C1=CC=C2C(=C1)C3=C(N2CCCCCCCCCCCCN4C5=CC=CC=C5C6=C4C7=C(C=C6)C(=O)C=CC7=O)C8=C(C=C3)C(=O)C=CC8=O","CYXGDDYVRJVDBH-UHFFFAOYSA-N",381746,NA,"PDBC11183","668606","Present",NA,NA
+"11184","11-[2'(R),6-Dihydro-2,3-dimethoxy-6-m ethyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[2'(R),6'-Diaminohexylidene-5,6-dihydro-2,3-dimethoxy...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CC(CCCCN)N)C4=CC5=C(C=C42)OCO5","WTPOEZTUCYCZOW-MEFZMRIGSA-N",45027876,NA,"PDBC11184","730436","Present",NA,NA
+"11185","11-[2'(S),6-Dihydro-5-keto-2,3-dimet hoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoli ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[2'(S),6'-Diaminohexylidene]-5,6-dihydro-5-keto-2,3-d...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CC(CCCCN)N)C4=CC5=C(C=C42)OCO5","WTPOEZTUCYCZOW-BRSWLGOBSA-N",11305794,NA,"PDBC11185","726764","Present",NA,NA
+"11186","11-[2',6-Dihydro-2,3-dimethoxy-6-me thyl-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[2',3'-Diaminopropylidene]-5,6-dihydro-2,3-dimethoxy-...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CC(CN)N)C4=CC5=C(C=C42)OCO5","PZXDFXMKTBLJRU-YIXHJXPBSA-N",45027846,NA,"PDBC11186","727722","Present",NA,NA
+"11187","11-[2'-N-Aminopropyl)-aminoethylidene]-5,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[2'-N-Aminopropyl)-aminoethylidene]-5,6-dihydro-5-oxo...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCNCCCN)C4=CC5=C(C=C42)OCO5","RSMFWFVTQGYMOK-LHHJGKSTSA-N",45027836,NA,"PDBC11187","727212","Present",NA,NA
+"11188","11-[2-(1-Piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[2-(1-Piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole",NA,"C1CCN(CC1)CCN2C3=CC=CC=C3C4=C2C5=CC=CC=C5CC4","BFMLLEPJKURZQZ-UHFFFAOYSA-N",390893,NA,"PDBC11188","689068","Present",NA,NA
+"11189","11-[2-(4-Bromophenyl)-2-oxoethyl]-4,5-dihydroxy-3,4,5-trimethyl-2,6-dioxo-3,4,5,6,8,10,12,13,13a,13b-decahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizin-11-ium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-[2-(4-Bromophenyl)-2-oxoethyl]-5,6-dihydroxy-4,5,6-trimethyl-2,8-dioxa-13-azoniatricyclo[8.5.1.013,16]hexadec-10-ene-3,7-dione;bromide",NA,"CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)CC(=O)C4=CC=C(C=C4)Br.[Br-]","QMDFVDIICAGQBF-UHFFFAOYSA-M",24196146,NA,"PDBC11189","211502","Present",NA,NA
+"11190","11-[2-(Diethylamino)ethyl]-1,6-diazanaphthacene-5,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[2-(Diethylamino)ethyl]-1,6-diazanaphthacene-5,12-dione",NA,"CCN(CC)CCC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4","OPVSYLBSDGXWKB-UHFFFAOYSA-N",388736,NA,"PDBC11190","683790","Present",NA,NA
+"11191","11-[2-(Dimethylamino)propyl]-5,6-dihydrobenzo[a]carbazole-2,8-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-propyl-dimethylamino)-2,8-dihydroxy-5,6-dihydrobenz...",NA,"CC(CN1C2=C(C=C(C=C2)O)C3=C1C4=C(CC3)C=CC(=C4)O)N(C)C","ZLSAVKHKNQLRMA-UHFFFAOYSA-N",392568,NA,"PDBC11191","693113","Present",NA,NA
+"11192","11-[2-(Dimethylamino)vinyl]-1,6-diazanaphthacene-5,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quino[6,7-b]quinolin-5,12-dione, 11-[2-(dimethylamino) e...",NA,"CN(C)C=CC1=C2C(=NC3=CC=CC=C31)C(=O)C4=C(C2=O)N=CC=C4","QMIOVDKIZOSESD-PKNBQFBNSA-N",5468977,NA,"PDBC11192","680733","Present",NA,NA
+"11193","11-[2-[4-[4-(Dimethylamino)butyl]-1-piperidyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[2-[4-[4-(Dimethylamino)butyl]-1-piperidyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one",NA,"CN(C)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42","JZENZHJOXSUJPP-UHFFFAOYSA-N",372624,NA,"PDBC11193","648063","Present",NA,NA
+"11194","11-[3'-(9H-Fluorenylmethoxycarbonyl)aminopropylidene]-5,3-dimethoxy-6[3'-(9H-fluorenylmethoxycarbonyl)aminop ropyl]-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinolin e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[3'-(9H-Fluorenylmethoxycarbonyl)aminopropylidene]-5,...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=CCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)OCO5)N(C2=O)CCCNC(=O)OCC9C1=CC=CC=C1C1=CC=CC=C91)OC","WHPRIMHEVMQLGA-VQWGYEAZSA-N",11366495,NA,"PDBC11194","729636","Present",NA,NA
+"11195","11-[4-(4-Methoxybenzoyl)phenyl]benzo[a]carbazole-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[4-(4-Methoxybenzoyl)phenyl]benzo[a]carbazole-1,4-dione",NA,"COC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C(=O)C=CC6=O","MMZJFQHTOSWBHM-UHFFFAOYSA-N",397019,NA,"PDBC11195","704282","Present",NA,NA
+"11196","11-[4-(8,10-Dioxaspiro[5.5]undec-3-en-9-yl)phenoxy]undecan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[4-(8,10-Dioxaspiro[5.5]undec-3-en-9-yl)phenoxy]undecan-1-ol",NA,"C1CC2(CC=C1)COC(OC2)C3=CC=C(C=C3)OCCCCCCCCCCCO","LAEQHLZIZODUQI-UHFFFAOYSA-N",393133,NA,"PDBC11196","694535","Present",NA,NA
+"11197","11-[4-[(E)-[(2,4-Dinitrophenyl)hydrazono]methyl]phenoxy]undecan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[4-[(E)-[(2,4-Dinitrophenyl)hydrazono]methyl]phenoxy]undecan-1-ol",NA,"C1=CC(=CC=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OCCCCCCCCCCCO","VQZGAGKEIIVWIV-NCELDCMTSA-N",9556330,NA,"PDBC11197","694536","Present",NA,NA
+"11198","11-[4-[9-[4-(11-Hydroxyundecoxy)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]phenoxy]undecan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[4-[9-[4-(11-Hydroxyundecoxy)phenyl]-2,4,8,10-tetraoxaspiro[5.5]undecan-3-yl]phenoxy]undecan-1-ol",NA,"C1C2(COC(O1)C3=CC=C(C=C3)OCCCCCCCCCCCO)COC(OC2)C4=CC=C(C=C4)OCCCCCCCCCCCO","GICCDTHXEQHVGS-UHFFFAOYSA-N",393132,NA,"PDBC11198","694534","Present",NA,NA
+"11199","11-[5-(1,4-Dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[5-(1,4-Dioxobenzo[a]carbazol-11-yl)pentyl]benzo[a]carbazole-1,4-dione",NA,"C1=CC=C2C(=C1)C3=C(N2CCCCCN4C5=CC=CC=C5C6=C4C7=C(C=C6)C(=O)C=CC7=O)C8=C(C=C3)C(=O)C=CC8=O","AEIOLBCDIXOOIA-UHFFFAOYSA-N",381745,NA,"PDBC11199","668605","Present",NA,NA
+"11200","11-[8-(1,4-Dioxobenzo[a]carbazol-11-yl)octyl]benzo[a]carbazole-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[8-(1,4-Dioxobenzo[a]carbazol-11-yl)octyl]benzo[a]carbazole-1,4-dione",NA,"C1=CC=C2C(=C1)C3=C(N2CCCCCCCCN4C5=CC=CC=C5C6=C4C7=C(C=C6)C(=O)C=CC7=O)C8=C(C=C3)C(=O)C=CC8=O","VQMDPDYUINQHQO-UHFFFAOYSA-N",379251,NA,"PDBC11200","663665","Present",NA,NA
+"11201","11-beta-hydroxy-pristamerin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-beta-hydroxy-pristamerin",NA,"CC1=C(C(=O)C=C2C1=CC=C3C2(C(CC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)O)C)O","MRLNWXSZJIGUHQ-WEFIJOBTSA-N",155813885,NA,"PDBC11201","797253","Present",NA,NA
+"11202","11-bromopaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-bromopaullone",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=CC=C4Br","YKGKBQYSHBGZQB-UHFFFAOYSA-N",384146,NA,"PDBC11202","673433","Present",NA,NA
+"11203","11-chloropaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-chloropaullone",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=CC=C4Cl","YMOAQWGMJDGOCD-UHFFFAOYSA-N",383786,NA,"PDBC11203","672233","Present",NA,NA
+"11204","11-ethylpaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-ethylpaullone",NA,"CCC1=C2C(=CC=C1)C3=C(N2)C4=CC=CC=C4NC(=O)C3","LOOYKDRIOSVHMM-UHFFFAOYSA-N",397719,NA,"PDBC11204","706122","Present",NA,NA
+"11205","11-methylpaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-methylpaullone",NA,"CC1=C2C(=CC=C1)C3=C(N2)C4=CC=CC=C4NC(=O)C3","XWKMAJPZELTMLH-UHFFFAOYSA-N",397718,NA,"PDBC11205","706120","Present",NA,NA
+"11206","11H-Benzo[4,5]imidazo[2,1-a]isoindole hydrochlori",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F0013-0823",NA,"C1C2=CC=CC=C2C3=NC4=CC=CC=C4N31.Cl","HPXOLVTZGVSYLP-UHFFFAOYSA-N",45023740,NA,"PDBC11206","163482","Present",NA,NA
+"11207","11H-Benzo[a]carbazole-1,4-dione, 7,11-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11H-Benzo[a]carbazole-1,4-dione, 7,11-dimethyl-",NA,"CC1=C2C3=C(C4=C(C=C3)C(=O)C=CC4=O)N(C2=CC=C1)C","HYPOPXGVJOVIPH-UHFFFAOYSA-N",371271,NA,"PDBC11207","645330","Present",NA,NA
+"11208","11H-Benzo[g]pyrido[4, 7-[[3-diethylamino) propyl]amino]-10,11-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11H-Benzo[g]pyrido[4,3-b]indol-4-ol, 7-[[3-diethylamino)...",NA,"CCN(CC)CCCNC1=NC=C(C2=C1C3=C(N2C)C4=C(C=C3)C(=CC=C4)O)C","ZGFDERDLOYHFHS-UHFFFAOYSA-N",374898,NA,"PDBC11208","653438","Present",NA,NA
+"11209","11H-Indeno[1,2,3-dimethoxy-8,9-(methylenedioxy)-6-propyl-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium,2,3-dim...",NA,"CCC[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C3)OCO5)OC)OC.[Cl-]","IVCYJZKACORNAK-UHFFFAOYSA-M",11811448,NA,"PDBC11209","701812","Present",NA,NA
+"11210","11H-Indolo[1, 11-[[4-(dimethylamino)phenyl]methylene]-6-methyl-, trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11H-Indolo[1,2-b]indazolium, 11-[[4-(dimethylamino)pheny...",NA,"C[N+]1=C2C=CC=CC2=C3N1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]","OTIGWHFQHFVTPR-UHFFFAOYSA-M",5471987,NA,"PDBC11210","715775","Present",NA,NA
+"11211","11H-Indolo[3,2-c]quinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11H-Indolo[3,2-c]quinolin-6-amine",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3N","BNYAERZPIWGQMM-UHFFFAOYSA-N",2794531,NA,"PDBC11211","736605","Present",NA,NA
+"11212","11H-Indolo[3,2-c]quinolin-9-amine, 3-chloro-N,N-diethyl-8-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1h-indolo[3,2-c]quinoline-9-methanamine, 3-chloro-n,n-di...",NA,"CCN(CC)CC1=CC2=C(C=C1OC)C3=CN=C4C=C(C=CC4=C3N2)Cl","LLEAEDYSPVHUEP-UHFFFAOYSA-N",330267,NA,"PDBC11212","317605","Present",NA,NA
+"11213","11T-0286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11T-0286",NA,"C1=CC(=C(C=C1C(F)(F)F)NC(=O)CC(=NO)N)Cl","DGJDIMMILZECQC-UHFFFAOYSA-N",9555638,NA,"PDBC11213","379536","Present",NA,NA
+"11214","11T-0858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11T-0858",NA,"CC1=CC=C(C=C1)N2C(=NNC2=O)C","SLSVSWZAJBJHTQ-UHFFFAOYSA-N",390138,NA,"PDBC11214","687206","Present",NA,NA
+"11215","11a-(3-Butenyl)-9,10,11,11a-tetrahydronaphtho[2,1-b][1]benzothiophen-8(7aH)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11a-But-3-enyl-7a,9,10,11-tetrahydronaphtho[2,1-b]benzothiophen-8-one",NA,"C=CCCC12CCCC(=O)C1SC3=C2C4=CC=CC=C4C=C3","OOHNHCSMMCSWHD-UHFFFAOYSA-N",365374,NA,"PDBC11215","632974","Present",NA,NA
+"11216","11a-Phenyl-4a-(1-pyrrolidinyl)-2,3,4,4a,11a,11b-hexahydroindolo[1,2-b][1,2]benzisoxazol-11(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11a-Phenyl-4a-(1-pyrrolidinyl)-2,3,4,4a,11a,11b-hexahydroindolo[1,2-b][1,2]benzisoxazol-11(1H)-one",NA,"C1CCC2(C(C1)C3(C(=O)C4=CC=CC=C4N3O2)C5=CC=CC=C5)N6CCCC6","RHTNTPVCOFBZJY-UHFFFAOYSA-N",374526,NA,"PDBC11216","652277","Present",NA,NA
+"11217","11a-Phenylindolo[1,2-b][1,2]benzoxazol-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11a-Phenylindolo[1,2-b][1,2]benzisoxazol-11(11aH)-one",NA,"C1=CC=C(C=C1)C23C4=CC=CC=C4ON2C5=CC=CC=C5C3=O","FUGKYMYCUMHZTO-UHFFFAOYSA-N",374517,NA,"PDBC11217","652268","Present",NA,NA
+"11218","11beta-Hydroxy estradiol-11-nitrate-3-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11.beta.-hydroxy estradiol-11-nitrate-3-acetate",NA,"CC(=O)OC1=CC2=C(C=C1)C3C(CC2)C4CCC(C4(CC3O[N+](=O)[O-])C)O","UPINFWLBXPICIJ-SZMDNOMZSA-N",380839,NA,"PDBC11218","666569","Present",NA,NA
+"11219","12,12-Dibutyl-11,13-dioxa-16-aza-12-stannatricyclo[8.7.0.02,7]heptadeca-1(10),2,4,6,8,16-hexaen-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,12-Dibutyl-11,13-dioxa-16-aza-12-stannatricyclo[8.7.0.02,7]heptadeca-1(10),2,4,6,8,16-hexaen-14-one",NA,"CCCC[Sn]1(OC(=O)CN=CC2=C(O1)C=CC3=CC=CC=C32)CCCC","GEIKTAYVJULEOV-UHFFFAOYSA-L",16683553,NA,"PDBC11219","630250","Present",NA,NA
+"11220","12,12-Dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,12-Dimethyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dithione",NA,"CC1(CC2=C(CS1)SC3=C2C(=S)NC(=S)N3)C","PRLMXOWWQWIDGS-UHFFFAOYSA-N",5220643,NA,"PDBC11220","719387","Present",NA,NA
+"11221","12,13-Bis-epi-Eupalmerin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,13-bis-epi-Eupalmerin",NA,"CC1CCCC(=CCCC2(C(O2)CC3C(C1O)OC(=O)C3=C)C)C","SCMBIOHRSHWIJT-QBFCQSESSA-N",5469941,NA,"PDBC11221","694509","Present",NA,NA
+"11222","12,13-Bisepieupalmerin epoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,13-Bisepieupalmerin epoxide",NA,"CC1CCCC2(C(O2)CCC3(C(O3)CC4C(C1O)OC(=O)C4=C)C)C","MEBDSCKFTYQUGG-UTXHDVTHSA-N",390113,NA,"PDBC11222","687104","Present",NA,NA
+"11223","12,13-Bisepieupalmerolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,13-bisepieupalmerolide",NA,"CC1CCCC(=CCCC(C2CC3C(C1OC(=O)C3=C)O2)(C)O)C","RDFQYGQCGXTVIC-XFZUAIFLSA-N",5471805,NA,"PDBC11223","713797","Present",NA,NA
+"11224","12,13-Bispieupalmeroic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690975///12,13-bispieupalmeroic acid",NA,"CC1CCCC(=CCCC(C2CC(C(C1O)O2)C(=C)C(=O)O)(C)O)C","ABTAQJSUUVNLJO-XFZUAIFLSA-N",5469633,NA,"PDBC11224","690975///713796","Present",NA,NA
+"11225","12,13-Dibromo-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6-trien-15-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,13-Dibromo-4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6-trien-15-ol",NA,"COC1C(C2C3C(C1Br)(CCN3CC4=CC(=C(C=C24)OC)OC)Br)O","BDRBXJGFHDFRJV-UHFFFAOYSA-N",397684,NA,"PDBC11225","706045","Present",NA,NA
+"11226","12,15-Dimethyl-11,17-diazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,12,14,16-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dimethylnaphtho[2',3':4,5]imidazo[1,2-a]pyridine",NA,"CC1=CC=C(N2C1=NC3=CC4=CC=CC=C4C=C32)C","WUJTZRCVOLEEPS-UHFFFAOYSA-N",378349,NA,"PDBC11226","660431","Present",NA,NA
+"11227","12,17-Dimethyl-2,9,13,15,16,18-hexazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3,5,7,12,14,16-heptaen-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,17-Dimethyl-2,9,13,15,16,18-hexazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3,5,7,12,14,16-heptaen-10-one",NA,"CC1=NC2=NN=C(N2C3=C1C(=O)NC4=CC=CC=C4N3)C","OUCHTNSZOVLJMZ-UHFFFAOYSA-N",375422,NA,"PDBC11227","655142","Present",NA,NA
+"11228","12,20-Dioxa-1,4,28,31,36-pentazapentacyclo[29.2.2.114,18.06,11.021,26]hexatriaconta-4,6,8,10,14(36),15,17,21,23,25,27-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,20-Dioxa-1,4,28,31,36-pentazapentacyclo[29.2.2.114,18.06,11.021,26]hexatriaconta-4,6,8,10,14(36),15,17,21,23,25,27-undecaene",NA,"C1CN2CCN(CCN=CC3=CC=CC=C3OCC4=CC=CC(=N4)COC5=CC=CC=C5C=N1)CC2","OLMRENGDWLYZHI-UHFFFAOYSA-N",403699,NA,"PDBC11228","718890","Present",NA,NA
+"11229","12,20-Dioxa-6,26,34-triazahexacyclo[25.2.2.22,5.28,11.221,24.114,18]octatriaconta-1(30),2(38),3,5(37),6,8,10,14(34),15,17,21(33),22,24(32),25,27(31),28,35-heptadecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,20-Dioxa-6,26,34-triazahexacyclo[25.2.2.22,5.28,11.221,24.114,18]octatriaconta-1(30),2(38),3,5(37),6,8,10,14(34),15,17,21(33),22,24(32),25,27(31),28,35-heptadecaene",NA,"C1C2=NC(=CC=C2)COC3=CC=C(C=C3)C=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=CC6=CC=C(O1)C=C6","LWEGGDYMKPYOLD-UHFFFAOYSA-N",393564,NA,"PDBC11229","695634","Present",NA,NA
+"11230","12,24-Dimethoxy-14,22-dioxa-3,8,28-triazapentacyclo[21.2.2.24,7.210,13.116,20]dotriaconta-1(25),2,4,6,8,10,12,16,18,20(28),23,26,29,31-tetradecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,24-Dimethoxy-14,22-dioxa-3,8,28-triazapentacyclo[21.2.2.24,7.210,13.116,20]dotriaconta-1(25),2,4,6,8,10,12,16,18,20(28),23,26,29,31-tetradecaene",NA,"COC1=C2C=CC(=C1)C=NC3=CC=C(C=C3)N=CC4=CC(=C(C=C4)OCC5=CC=CC(=N5)CO2)OC","RITCACLOVMJMMW-UHFFFAOYSA-N",388226,NA,"PDBC11230","682819","Present",NA,NA
+"11231","12,29-Dimethoxy-2,10-dioxa-16,19,22,25,34-pentazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(29),4(34),5,7,11,13,15,25,27,30,32-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,29-Dimethoxy-2,10-dioxa-16,19,22,25,34-pentazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(29),4(34),5,7,11,13,15,25,27,30,32-undecaene",NA,"COC1=C2C=CC(=C1)C=NCCNCCNCCN=CC3=CC(=C(C=C3)OCC4=CC=CC(=N4)CO2)OC","XMEUERRTPNIWEK-UHFFFAOYSA-N",388225,NA,"PDBC11231","682818","Present",NA,NA
+"11232","12,29-Dinitro-2,10-dioxa-16,25,34-triazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(29),4(34),5,7,11,13,15,25,27,30,32-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,29-Dinitro-2,10-dioxa-16,25,34-triazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(29),4(34),5,7,11,13,15,25,27,30,32-undecaene",NA,"C1CCCCN=CC2=CC(=C(C=C2)OCC3=CC=CC(=N3)COC4=C(C=C(C=C4)C=NCCC1)[N+](=O)[O-])[N+](=O)[O-]","IWIFMCOZNOOFIW-UHFFFAOYSA-N",395246,NA,"PDBC11232","699722","Present",NA,NA
+"11233","12,5)Thiophenophane S-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,13-Dibenzylmetacyclo[2](2,5)thiophenophane S-oxide",NA,"C1CC2=C(C(=C(S2=O)CCC3=CC=CC1=C3)CC4=CC=CC=C4)CC5=CC=CC=C5","AVHBNWRRHBJQSI-UHFFFAOYSA-N",401431,NA,"PDBC11233","715091","Present",NA,NA
+"11234","12-((11-(4-(2-(4-Oxo-2,5-cyclohexadien-1-ylidene)ethylidene)-1(4H)-pyridinyl)undecanoyl)amino)-N-pentyldodecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-[11-[4-[2-(4-Oxocyclohexa-2,5-dien-1-ylidene)ethylidene]pyridin-1-yl]undecanoylamino]-N-pentyldodecanamide",NA,"CCCCCNC(=O)CCCCCCCCCCCNC(=O)CCCCCCCCCCN1C=CC(=CC=C2C=CC(=O)C=C2)C=C1","AMPDXALGYOGJLP-UHFFFAOYSA-N",362343,NA,"PDBC11234","626016","Present",NA,NA
+"11235","12-((4-Methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-((4-Methyl-1-piperazinyl)acetyl)-12H-benzo[b]phenothiazine",NA,"CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC5=CC=CC=C5C=C42","JHWISLMTUJNEQP-UHFFFAOYSA-N",272209,NA,"PDBC11235","116491","Present",NA,NA
+"11236","12-((4-Methyl-1-piperidinyl)acetyl)-12H-benzo[b]phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-((4-Methyl-1-piperidinyl)acetyl)-12H-benzo[b]phenothiazine",NA,"CC1CCN(CC1)CC(=O)N2C3=CC=CC=C3SC4=CC5=CC=CC=C5C=C42","AVLRLJQSDAFPBD-UHFFFAOYSA-N",272208,NA,"PDBC11236","116490","Present",NA,NA
+"11237","12-((4-Methylphenyl)sulfonyl)-3-(phenylsulfonyl)-6,7,12,12b-tetrahydroindolo[2,3-a]quinolizin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzenesulfonyl)-12-(p-tolylsulfonyl)-1,6,7,12b-tetrahydroindolo[2,3-a]quinolizin-4-one",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C5CC=C(C(=O)N5CC4)S(=O)(=O)C6=CC=CC=C6","UYWQHCWSXJQJNB-UHFFFAOYSA-N",380393,NA,"PDBC11237","665910","Present",NA,NA
+"11238","12-((4-Methylphenyl)sulfonyl)-4b,5,6,11,11b,12-hexahydroindolo[2,3-a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-((4-Methylphenyl)sulfonyl)-4b,5,6,11,11b,12-hexahydroindolo[2,3-a]carbazole",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3C(CCC4=C3NC5=CC=CC=C45)C6=CC=CC=C62","ACCIDPZVPHFIQC-BWKNWUBXSA-N",392233,NA,"PDBC11238","692365","Present",NA,NA
+"11239","12-(2'-Aminoethylidene)-5,11-diketo-2,3-dimethox y-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(2'-Aminoethylidene)-5,6-dihydro-5,11-diketo-2,3-dime...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCN)C4=CC5=C(C=C42)OCO5","XDEBOWRGDIIBAU-NYYWCZLTSA-N",11452147,NA,"PDBC11239","725665","Present",NA,NA
+"11240","12-(2-Aminoethylamino)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(2-Aminoethylamino)-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one;2,2,2-trifluoroacetic acid",NA,"C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)NCCN.C(=O)(C(F)(F)F)O","HPWOKHWHRKMOHQ-UHFFFAOYSA-N",46854489,NA,"PDBC11240","723392","Present",NA,NA
+"11241","12-(2-Methoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one",NA,"CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC=CC=C5OC)C(=O)OC2)C","ISGGFCIFHRBYMB-UHFFFAOYSA-N",382071,NA,"PDBC11241","669385","Present",NA,NA
+"11242","12-(3,4,5-Trimethoxyphenyl)-7a,8,9,12-tetrahydronaphtho[1,2-f]indolizine-7,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(3,4,5-Trimethoxyphenyl)-7a,8,9,12-tetrahydronaphtho[1,2-f]indolizine-7,10-dione",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=C(C=CC4=CC=CC=C43)C(=O)C5N2C(=O)CC5","IICTUDOZPQPQOD-UHFFFAOYSA-N",393637,NA,"PDBC11242","695848","Present",NA,NA
+"11243","12-(3,4-Dimethoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one",NA,"CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC(=C(C=C5)OC)OC)C(=O)OC2)C","WNZZXGIUKOASEY-UHFFFAOYSA-N",382069,NA,"PDBC11243","669383","Present",NA,NA
+"11244","12-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7,10,13,16-Hexaoxacyclooctadecane-2,9-dione, 12-[4-h...",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2COC(=O)COCCOCC(=O)OCCOCCO2","NEUCTMQXHTUDCQ-UHFFFAOYSA-N",386885,NA,"PDBC11244","679743","Present",NA,NA
+"11245","12-(4'-Phthalimidobutylidene)-5,11-diketo-2,3-di methoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoquin oline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(4'-Phthalimidobutylidene)-5,6-dihydro-5,11-diketo-2,...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC7=C(C=C62)OCO7","IULDOFGWGVRABT-CAOOACKPSA-N",45027827,NA,"PDBC11245","726112","Present",NA,NA
+"11246","12-(4'-Phthalylaminopentylidene)-5,11-diketo-2,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(4'-Phthalylaminopentylidene)-5,6-dihydro-5,11-diketo...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCCCN4C(=O)C5=CC=CC=C5C4=O)C6=CC7=C(C=C62)OCO7","JCNVTOQNUMCVTI-GIJQJNRQSA-N",45027829,NA,"PDBC11246","726510","Present",NA,NA
+"11247","12-(4-Chlorophenyl)-10H-isoindolo[1,2-b]quinazolin-12-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoindolo[1,2-b]quinazolin-12-ol, 12-(4-chlorophenyl)-10...",NA,"C1C2=CC=CC=C2N=C3N1C(C4=CC=CC=C43)(C5=CC=C(C=C5)Cl)O","VETUKMSKEWYIOQ-UHFFFAOYSA-N",395630,NA,"PDBC11247","700414","Present",NA,NA
+"11248","12-(4-Hydroxy-3,5-dimethoxy-phenyl)-7a,8,9,12-tetrahydronaphtho[1,2-f]indolizine-7,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(4-Hydroxy-3,5-dimethoxy-phenyl)-7a,8,9,12-tetrahydronaphtho[1,2-f]indolizine-7,10-dione",NA,"COC1=CC(=CC(=C1O)OC)C2C3=C(C=CC4=CC=CC=C43)C(=O)C5N2C(=O)CC5","PWASRHCIRUXQDB-UHFFFAOYSA-N",393640,NA,"PDBC11248","695851","Present",NA,NA
+"11249","12-(4-Hydroxy-3,5-dimethoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Hydroxy-3,5-dimethoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one",NA,"CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC(=C(C(=C5)OC)O)OC)C(=O)OC2)C","RATAWNZIHFKITP-UHFFFAOYSA-N",382068,NA,"PDBC11249","669382","Present",NA,NA
+"11250","12-(4-Methoxyphenyl)-5,5-dimethyl-3,12-dihydro-1H-[1,3]dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-9,9-dimethyl-5,8,10,14,16-pentaoxatetracyclo[9.7.0.03,7.013,17]octadeca-1(18),3(7),11,13(17)-tetraen-4-one",NA,"CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC=C(C=C5)OC)C(=O)OC2)C","DZUFSKZKHQBCJI-UHFFFAOYSA-N",382070,NA,"PDBC11250","669384","Present",NA,NA
+"11251","12-(4-Methylphenyl)sulfonyl-2,9,14,21-tetrazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaen-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(4-Methylphenyl)sulfonyl-2,9,14,21-tetrazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaen-11-amine",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=NC4=CC=CC=C4N3C5=NC6=CC=CC=C6N=C25)N","XVENTCJALKLFPV-UHFFFAOYSA-N",372781,NA,"PDBC11251","648405","Present",NA,NA
+"11252","12-Acetyl-5-(4-methylphenoxy)-12H-benzo[f]indolo[3,2-b][1,8]naphthyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[20-(4-Methylphenoxy)-2,10,21-triazapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaen-10-yl]ethanone",NA,"CC1=CC=C(C=C1)OC2=NC3=NC4=C(C=C3C5=CC=CC=C52)N(C6=CC=CC=C64)C(=O)C","RPRQZWRFCSOCFL-UHFFFAOYSA-N",372778,NA,"PDBC11252","648402","Present",NA,NA
+"11253","12-Amino-20(S)-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Amino-20(S)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C(=C4)C=CC=C5N)O","QPUDSTGASYNWEO-FQEVSTJZSA-N",151793,NA,"PDBC11253","603073","Present",NA,NA
+"11254","12-Azadispiro[4.1.4^{7}.2^{5}]tridecane-6,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Azadispiro[4.1.4^{7}.2^{5}]tridecane-6,13-dione",NA,"C1CCC2(C1)C(=O)C3(CCCC3)NC2=O","IERPSUGSQOVMFD-UHFFFAOYSA-N",363345,NA,"PDBC11254","628201","Present",NA,NA
+"11255","12-Azido-10-(hydroxymethyl)-6-methyl-8,11-dioxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Azido-10-(hydroxymethyl)-6-methyl-8,11-dioxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione",NA,"CC1=C2N(C3C(C(O2)C(O3)CO)N=[N+]=[N-])C(=O)NC1=O","RMQQJDKJQOKTQA-UHFFFAOYSA-N",495449,NA,"PDBC11255","655361","Present",NA,NA
+"11256","12-Benzyl-11-methyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Benzyl-11-methyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene",NA,"CC1=C(C2=C(N1)N=CN3C2=NC=N3)CC4=CC=CC=C4","JBZVGCLWNMJBIV-UHFFFAOYSA-N",135426660,NA,"PDBC11256","706034","Present",NA,NA
+"11257","12-Benzyl-11-methyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Benzyl-11-methyl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,7,11-tetraene-4-thione",NA,"CC1=C(C2=C(N1)N=CN3C2=NC(=S)N3)CC4=CC=CC=C4","UAMXYSDRMYPOED-UHFFFAOYSA-N",5470887,NA,"PDBC11257","706033","Present",NA,NA
+"11258","12-Benzyl-11-methyl-4-(trichloromethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Benzyl-11-methyl-4-(trichloromethyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene",NA,"CC1=C(C2=C(N1)N=CN3C2=NC(=N3)C(Cl)(Cl)Cl)CC4=CC=CC=C4","IFRXYRABUJZGIX-UHFFFAOYSA-N",135426661,NA,"PDBC11258","706036","Present",NA,NA
+"11259","12-Benzyl-5,1':4,5]pyrrolo[3,2-c]chinolin-6,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Benzyl-5,12-dihydro-indeno[2',1':4,5]pyrrolo[3,2-c]ch...",NA,"C1=CC=C(C=C1)CN2C3=C(C4=C2C5=CC=CC=C5NC4=O)C(=O)C6=CC=CC=C63","BZYMYCPIFFKUTM-UHFFFAOYSA-N",45028165,NA,"PDBC11259","741338","Present",NA,NA
+"11260","12-Benzyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Benzyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione",NA,"C1=CC=C(C=C1)CN2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O","XNYJGKHSDWJGMA-UHFFFAOYSA-N",361387,NA,"PDBC11260","624411","Present",NA,NA
+"11261","12-Benzyl-6-(2-dimethylamino-ethylamino)-12H-indeno[2',5]pyrrolo[3,2-c]chinolin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Benzyl-6-(2-dimethylamino-ethylamino)-12H-indeno[2',1...",NA,"CN(C)CCNC1=NC2=CC=CC=C2C3=C1C4=C(N3CC5=CC=CC=C5)C6=CC=CC=C6C4=O","FJOKFCKWUBMOJB-UHFFFAOYSA-N",45028166,NA,"PDBC11261","741339","Present",NA,NA
+"11262","12-Benzyl-6-(3-hydroxy-propylamino)-12H-indeno[2',5-pyrrolo[3,2-c]chinolin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Benzyl-6-(3-hydroxy-propylamino)-12H-indeno[2',1':4,5...",NA,"C1=CC=C(C=C1)CN2C3=C(C4=C2C5=CC=CC=C5N=C4NCCCO)C(=O)C6=CC=CC=C63","XOGYDBDNJSHVFQ-UHFFFAOYSA-N",45028168,NA,"PDBC11262","741341","Present",NA,NA
+"11263","12-Benzyl-6-dimethylamino-12H-indeno[2',5]pyrrolo[3,2-c]chinolin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Benzyl-6-dimethylamino-12H-indeno[2',1':4,5]pyrrolo[3...",NA,"CN(C)C1=NC2=CC=CC=C2C3=C1C4=C(N3CC5=CC=CC=C5)C6=CC=CC=C6C4=O","NJRBMBHRQIJOFJ-UHFFFAOYSA-N",45028167,NA,"PDBC11263","741340","Present",NA,NA
+"11264","12-Bromo-6H,14H-benzo[b]naphtho[2,3-f][1,5]dithiocin-6,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H,14H-Benzo[b]naphtho[2,3-f][1,5]dithiocin-6,14-dione, ...",NA,"C1=CC=C2C=C3C(=CC2=C1)C(=O)SC4=C(C=C(C=C4)Br)C(=O)S3","JTYVTRAPVMKCDP-UHFFFAOYSA-N",397767,NA,"PDBC11264","706190","Present",NA,NA
+"11265","12-Cheto-ursocholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Cheto-ursocholic acid",NA,"CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)O)C","MIHNUBCEFJLAGN-NGOHRYARSA-N",376834,NA,"PDBC11265","657952","Present",NA,NA
+"11266","12-Chloro-7,12-dihydro-9-phenylbenzo[a]phenarsazinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-chloro-7,12-dihydro-9-phenylbenzo[a]phenarsazinine",NA,"C1=CC=C(C=C1)C2=CC3=C(C=C2)[As](C4=C(N3)C=CC5=CC=CC=C54)Cl","OSEDUNHAXMRVHL-UHFFFAOYSA-N",12283554,NA,"PDBC11266","745540","Present",NA,NA
+"11267","12-Epieupalmerone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-epi-eupalmerone",NA,"CC1CCCC(=CCCC2(C(O2)CC3C(C1=O)OC(=O)C3=C)C)C","FGMVUGQMSRSYDL-JDROQCLMSA-N",5472714,NA,"PDBC11267","721051","Present",NA,NA
+"11268","12-Ethyl-4-methyl-5-sulfanylidene-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Ethyl-4-methyl-5-sulfanylidene-8-thia-4,6,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one",NA,"CCN1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C","ULVGXYJDYYXGGD-UHFFFAOYSA-N",5471815,NA,"PDBC11268","714004","Present",NA,NA
+"11269","12-Ethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Ethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione",NA,"CCN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O","RFSMYRUHCLFIOJ-UHFFFAOYSA-N",374505,NA,"PDBC11269","652256","Present",NA,NA
+"11270","12-Hydroxy-2-phenyl-pyrano[2,3-a]acridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-12-hydroxy-4H-1-oxa-7-azabenz[a]anthracen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C=C3)NC5=CC=CC=C5C4=O","NVVKFEIQSDYGLR-UHFFFAOYSA-N",391433,NA,"PDBC11270","690620","Present",NA,NA
+"11271","12-Hydroxy-6-oxo-indolo[2,1-b]quinazoline-12-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,12-Dihydro-12-hydroxy-6-oxoindolo[2,1-b]quinazoline-12...",NA,"C1=CC=C2C(=C1)C(=O)C3=NC4=CC=CC=C4C(N23)(C(=O)O)O","OQLFADDEFBWNGU-UHFFFAOYSA-N",384866,NA,"PDBC11271","675462","Present",NA,NA
+"11272","12-Hydroxy-bullatacin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Hydroxy-bullatacin A",NA,"CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCC(CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O","DDFDZKSKODBLSR-GIPZGXSBSA-N",393470,NA,"PDBC11272","695403","Present",NA,NA
+"11273","12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Hydroxyindolo[2,1-b]quinazoline-6(12H)-one",NA,"C1=CC=C2C(=C1)C(N3C4=CC=CC=C4C(=O)C3=N2)O","UYTIXHDIFSRARY-UHFFFAOYSA-N",324952,NA,"PDBC11273","292147","Present",NA,NA
+"11274","12-Imino-4,10,14,20-tetrazapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),9,19-tetraen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Imino-1,2,3,4,8,9,10,11-octahydropyrido[1,2-a]pyrido[1...",NA,"C1CCN2C(=NC3=C2C(=O)C4=C(C3=N)N5CCCCC5=N4)C1","LSJYKGSGZXKCFX-UHFFFAOYSA-N",46861729,NA,"PDBC11274","753790","Present",NA,NA
+"11275","12-Iminodaunorubicin hcl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Iminodaunorubicin HCl",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)C)O)N)O.Cl","KVTVLWOKIDKIQL-LAFLKOLFSA-N",135539784,NA,"PDBC11275","254681","Present",NA,NA
+"11276","12-Mercaptobenzo[7,8]quino[6,5-g]pteridin-10-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sulfanyl[?]ol",NA,"C1=CC2=C3C(=CC=CN3)C4=NC5=NC(=S)NC(=O)C5=NC4=C2C=C1","MVCPSNVMQDKXPW-UHFFFAOYSA-N",135409051,NA,"PDBC11276","657173","Present",NA,NA
+"11277","12-Methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride",NA,"COC1=C2C3=C(C=CN2)NC=CC3=CC1=O.Cl","CUVOGYSWQRIPOC-UHFFFAOYSA-N",396850,NA,"PDBC11277","703878","Present",NA,NA
+"11278","12-Methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methoxy-2-methyl-2,6-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),7,9-pentaen-11-one;hydrochloride",NA,"CN1C=CC2=C3C1=C(C(=O)C=C3C=CN2)OC.Cl","HFNGCBDZKXJUJX-UHFFFAOYSA-N",395374,NA,"PDBC11278","699878","Present",NA,NA
+"11279","12-Methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methoxy-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene",NA,"COC1=CC2=C(C=C1)C3=C(CCC2)C=NN3","PBANTNIGHLWVJO-UHFFFAOYSA-N",360368,NA,"PDBC11279","622429","Present",NA,NA
+"11280","12-Methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methoxy-3-(4-nitrophenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaen-13-ol",NA,"COC1=C(C=C2C(=C1)CCCC3=C2N(N=C3)C4=CC=C(C=C4)[N+](=O)[O-])O","JRBOEBVEVHDCDD-UHFFFAOYSA-N",321301,NA,"PDBC11280","271271","Present",NA,NA
+"11281","12-Methoxy-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methoxy-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-10-ol",NA,"COC1=CC(=C2C3=C(C=CN=C13)C4=CC=CC=C4N2)O","QJCJSXJPLXBGED-UHFFFAOYSA-N",54612598,NA,"PDBC11281","723397","Present",NA,NA
+"11282","12-Methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,9,13,15,17-octaene-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,9,13,15,17-octaene-2-thione",NA,"CN1C2=C(C3=CC=CC=C31)C(=S)C4=CC=CC=C4C=C2","LSEISMJVAFPVIX-UHFFFAOYSA-N",399557,NA,"PDBC11282","710431","Present",NA,NA
+"11283","12-Methyl-12H-7-oxa-12-azadibenz[a,e]azulene-5-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 12-methyl-[3]benzoxepino[1,2-b]indole-5-carboxylate",NA,"CN1C2=CC=CC=C2C3=C1C4=CC=CC=C4C(=CO3)C(=O)OC","AQXIHWIKUQDALC-UHFFFAOYSA-N",393109,NA,"PDBC11283","694497","Present",NA,NA
+"11284","12-Methyl-2,1':4,5][1,3,5]thiadiazino[2,3-b]quinazolin-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methyl-2,3-dihydro-12H-imidazo[2',1':4,5][1,3,5]thiad...",NA,"CC1C2=CC=CC=C2N=C3N1C4=NCCN4C(=S)S3","NBSUDTUXMZAVFX-UHFFFAOYSA-N",45028033,NA,"PDBC11284","740809","Present",NA,NA
+"11285","12-Methyl-2,9,13,15,16,17,18-heptazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3,5,7,12,14,16-heptaen-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methyl-2,9,13,15,16,17,18-heptazatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3,5,7,12,14,16-heptaen-10-one",NA,"CC1=NC2=NN=NN2C3=C1C(=O)NC4=CC=CC=C4N3","UAPMVTFZJRVSBC-UHFFFAOYSA-N",375423,NA,"PDBC11285","655143","Present",NA,NA
+"11286","12-Methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CN1C2=CC=CC=C2C3=C1C4C(C5C3CCCC5)C(=O)NC4=O","SKKYVSNEQAPJDQ-UHFFFAOYSA-N",362446,NA,"PDBC11286","626393","Present",NA,NA
+"11287","12-Methyl-5,6,7,8,9,12-hexahydro-9,10,12-triazadibenzo[a,e]azulene-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-Methyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one",NA,"CN1C2=C(C3=C1C4=CC=CC=C4CCC3)C(=O)NN=C2","FTDCBIZJAJOZSS-UHFFFAOYSA-N",403910,NA,"PDBC11287","719503","Present",NA,NA
+"11288","12-Methyl-5h-naphtho[2,3-a]carbazole-5,13(12h)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methyl-5h-naphtho[2,3-a]carbazole-5,13(12h)-dione",NA,"CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O","JJQIATBTHVGNGQ-UHFFFAOYSA-N",261069,NA,"PDBC11288","92941","Present",NA,NA
+"11289","12-Methyl-6-phenyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methyl-6-phenyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione",NA,"CN1C2=CC=CC=C2C3=CC(=C4C(=C31)C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6","BEDFEABQTLGSOK-UHFFFAOYSA-N",372655,NA,"PDBC11289","648152","Present",NA,NA
+"11290","12-Methyl-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methyl-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene",NA,"CN1C2=CC=CC=C2C3=NC=C4C(=C31)C5=CC=CC=C5N4","GPQUXPLMBDBMDW-UHFFFAOYSA-N",364148,NA,"PDBC11290","629818","Present",NA,NA
+"11291","12-Methylchromeno[2,3-g]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methylchromeno[2,3-g]quinolin-11-one",NA,"CC1=C2C(=CC3=C1C(=O)C4=CC=CC=C4O3)C=CC=N2","VEVKSNNOFYPOBX-UHFFFAOYSA-N",385094,NA,"PDBC11291","676029","Present",NA,NA
+"11292","12-Methylidene-3,10-dioxatricyclo[7.3.0.02,4]dodecan-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methylidene-3,10-dioxatricyclo[7.3.0.02,4]dodecan-11-one",NA,"C=C1C2C(CCCCC3C2O3)OC1=O","LWGBAWDTNWXWGZ-UHFFFAOYSA-N",318798,NA,"PDBC11292","258618","Present",NA,NA
+"11293","12-Methyloctadecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMFA01020211",NA,"CCCCCCC(C)CCCCCCCCCCC(=O)O","MEBDGIUGSQZVMA-UHFFFAOYSA-N",361942,NA,"PDBC11293","625427","Present",NA,NA
+"11294","12-Nitrocamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Nitro-20(S)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C(=C4)C=CC=C5[N+](=O)[O-])O","XQHHKVBMHNTWSH-FQEVSTJZSA-N",11014705,NA,"PDBC11294","603072","Present",NA,NA
+"11295","12-Oxo-5,7,8,9,10,12-hexahydrobenzo[b]acridine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Oxo-5,7,8,9,10,12-hexahydrobenzo[b]acridine-6-carboxamide",NA,"C1CCC2=C(C3=C(C=C2C1)C(=O)C4=CC=CC=C4N3)C(=O)N","CMJZMZAWAFZVEH-UHFFFAOYSA-N",364124,NA,"PDBC11295","629793","Present",NA,NA
+"11296","12-Oxo-5,7,8,9,10,12-hexahydrobenzo[b]acridine-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Oxo-5,7,8,9,10,12-hexahydrobenzo[b]acridine-6-carboxylic acid",NA,"C1CCC2=C(C3=C(C=C2C1)C(=O)C4=CC=CC=C4N3)C(=O)O","BWGVLBFEXFBNOO-UHFFFAOYSA-N",367585,NA,"PDBC11296","637417","Present",NA,NA
+"11297","12-Oxo-6,8,10-triphenyl-1,2,3,4,5,6,9,10-octahydro[1,3,5]triazino[1',2':1,2]pyrrolo[3,4-c]quinoline-6a,12a(8H,12H)-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Oxo-9,13,15-triphenyl-8,12,14,16-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),11-diene-1,10-dicarbonitrile",NA,"C1CCC2=C(C1)C3(C(=O)N4C(NC(N=C4C3(C(N2)C5=CC=CC=C5)C#N)C6=CC=CC=C6)C7=CC=CC=C7)C#N","OIAIDSVKRFHBPE-UHFFFAOYSA-N",394335,NA,"PDBC11297","697704","Present",NA,NA
+"11298","12-Phenyl-12H-12-aza-benzo[4,1-a]naphthalen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Phenyl-12H-12-aza-benzo[4,5]pentaleno[2,1-a]naphthale...",NA,"C1=CC=C(C=C1)N2C3=C(C=CC4=CC=CC=C43)C5=C2C6=CC=CC=C6C5=O","SZKOSIPITMZGBC-UHFFFAOYSA-N",406588,NA,"PDBC11298","724800","Present",NA,NA
+"11299","12-[2-(Dimethylamino)ethylamino]-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-[2-(Dimethylamino)ethylamino]-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-10-one",NA,"CN(C)CCNC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","QMRGXZITLIAXJC-UHFFFAOYSA-N",391211,NA,"PDBC11299","690044","Present",NA,NA
+"11300","12-[2-(Dimethylamino)vinyl]benzo[b]acridine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-[2-(Dimethylamino)vinyl]benzo[b]acridine-6,11-dione",NA,"CN(C)C=CC1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O","UYOCJURIBHUERU-VAWYXSNFSA-N",5468976,NA,"PDBC11300","680732","Present",NA,NA
+"11301","12-[3'-N-(3'-Aminopropyl)-aminopropylidene]-5,-diketo-2,3-dimethoxy-6-methyl-8,9-methylenedioxy-11H-indeno[1,2-c]isoq uinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-[3'-N-(3'-Aminopropyl)-aminopropylidene]-5,11,-diketo...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=CCCNCCCN)C4=CC5=C(C=C42)OCO5","SSMROBDXXCACSJ-GIDUJCDVSA-N",45027811,NA,"PDBC11301","724802","Present",NA,NA
+"11302","12-[6-(Dimethylamino)pyridin-3-yl]-7,10-dihydroxy-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(6-(dimethylamino)pyridin-3-yl)-7,10-dihydroxy-12,13-...",NA,"CN(C)C1=NC=C(C=C1)N2CC3=CC=CC=C3OC4=C2C(=O)C5=C(C=CC(=C5C4=O)O)O","IQTUJPHUXIBZEK-UHFFFAOYSA-N",155805712,NA,"PDBC11302","791348","Present",NA,NA
+"11303","12A-Dehydro-6-hydroxysumatrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12A-Dehydro-6-hydroxysumatrol",NA,"CC(=C)C1CC2=C(O1)C=C(C3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4O)OC)OC)O","LMMACNCQNDTCON-UHFFFAOYSA-N",5459254,NA,"PDBC11303","661430","Present",NA,NA
+"11304","12B-019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12B-019",NA,"C1COCCN1C2=NN(C=C2C3=CC=CC=N3)C(=O)NC4=CC=CC=C4","LEOOHNYLFORDAR-UHFFFAOYSA-N",364494,NA,"PDBC11304","630876","Present",NA,NA
+"11305","12CH-4,8,12-trioxadibenzo[cd,mn]pyren-12c-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,14,22-Trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaen-1-amine",NA,"C1=CC2=C3C(=C1)OC4=C5C3(C6=C(O2)C=CC=C6OC5=CC=C4)N","IJUYAGAKHWNHQB-UHFFFAOYSA-N",393366,NA,"PDBC11305","695173","Present",NA,NA
+"11306","12H,15H-11,7:16,20-Dimetheno[1,2,9,10]dithiadiazacyclohexadecino[9,10-b]phthalazine-5,22-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18,19-Dithia-2,11-diazapentacyclo[19.3.1.112,16.02,11.04,9]hexacosa-1(24),4,6,8,12,14,16(26),21(25),22-nonaene-3,10-dione",NA,"C1C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C(=O)N3C5=CC=CC(=C5)CSS1","TXEVTDQZCNMHBZ-UHFFFAOYSA-N",368736,NA,"PDBC11306","639880","Present",NA,NA
+"11307","12H-Benzimidazo[2,1-b][1,3]benzothiazin-12-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12H-Benzimidazo[2,1-b][1,3]benzothiazin-12-imine",NA,"C1=CC=C2C(=C1)C(=N)N3C4=CC=CC=C4N=C3S2","KJVAFPISJGKUBC-UHFFFAOYSA-N",366229,NA,"PDBC11307","634565","Present",NA,NA
+"11308","12H-Benzothiazolo[2,3-b]quinazoline, 7-nitro-9-(trifluoromethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12H-Benzothiazolo[2,3-b]quinazoline, 7-nitro-9-(trifluoromethyl)-",NA,"C1C2=CC=CC=C2N=C3N1C4=C(S3)C(=CC(=C4)C(F)(F)F)[N+](=O)[O-]","FPVMRDWZFMSHFM-UHFFFAOYSA-N",361466,NA,"PDBC11308","624493","Present",NA,NA
+"11309","12W-0919",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12W-0919",NA,"C1=CC=C2C(=C1)C(=NC3=C(N=NN23)C4=CC=C(C=C4)[N+](=O)[O-])N","POHNBDGGRGBSQB-UHFFFAOYSA-N",331823,NA,"PDBC11309","326660","Present",NA,NA
+"11310","12a,14a-Dimethyl-1,2,3,3a,3b,4,5,5a,6,7,12,12a,12b,13,14,14a-hexadecahydrocyclopenta[5,6]naphtho[2,1-b]carbazol-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-(3',2'-indolo)-5.alpha.-androstan-17.beta.-ol",NA,"CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(C4)NC6=CC=CC=C56)C","XAPHYNIJAGNNNA-UHFFFAOYSA-N",243149,NA,"PDBC11310","60785","Present",NA,NA
+"11311","12a-Hydroxydalpanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12a-Hydroxydalpanol",NA,"CC(C)(C1CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4(C3=O)O)OC)OC)O","NSFCLBVWJYYZMR-DNVFCKCGSA-N",134875,NA,"PDBC11311","646924","Present",NA,NA
+"11312","12c,12d-Dihydro-2,5,8,11-tetraoxa-3a,4,6,6b,9a,10,12,12b-octaazadicyclopenta[e,l]pyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9,14,19-Tetraoxa-1,3,5,7,11,13,15,17-octazahexacyclo[9.9.2.02,6.07,22.012,16.017,21]docosa-2,5,12,15-tetraene",NA,"C1N2C3C4N(COCN4C5=NON=C5N3CO1)C6=NON=C62","UUZPPOIOYNEABI-UHFFFAOYSA-N",393542,NA,"PDBC11312","695604","Present",NA,NA
+"11313","12c-Methyl-12cH-4,12-trioxadibenzo[c,d,mn]pyren-6-yloxamic acid, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, 2-[(12c-methyl-12cH-4,8,12-trioxadi-benzo[c...",NA,"CC12C3=C4C=CC=C3OC5=CC(=CC(=C51)OC6=CC=CC(=C26)O4)NC(=O)C(=O)OC","VTOHTWFITOLBPS-UHFFFAOYSA-N",393369,NA,"PDBC11313","695177","Present",NA,NA
+"11314","13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,11(16),14-hexaen-12-one",NA,"C1CC2=C(C3=CC=CC=C31)NC4=C2C(=O)NN=C4","JKEOCLHOKWSGPZ-UHFFFAOYSA-N",135426741,NA,"PDBC11314","715658","Present",NA,NA
+"11315","13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13,14,17-Triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one",NA,"C1=CC=C2C(=C1)C=CC3=C2NC4=C3C(=O)NN=C4","BKASLFBPIRFHMC-UHFFFAOYSA-N",135426788,NA,"PDBC11315","718580","Present",NA,NA
+"11316","13,14-Dimethyl-1,6,8-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-dimethyl-pyrido[2,3-e]isoindolo[1,2-a]pyrazin-6(5H)one",NA,"CC1=CC2=CN3C4=C(NC(=O)C3=C2C=C1C)N=CC=C4","NGFNZUWZYSKYTF-UHFFFAOYSA-N",155814457,NA,"PDBC11316","760292","Present",NA,NA
+"11317","13,15-Isocrambescidin 800 trihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13,14,15-isocrambescidin 800 trihydrochloride",NA,"CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CC(CCN)O)CCCC(O5)C.Cl.[Cl-]","UAMQJKWLEUINKJ-XQMVMIKESA-N",400723,NA,"PDBC11317","713157","Present",NA,NA
+"11318","13,16-Dimethyl-11,17-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,11,13,15-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,11-Dimethylnaphtho[2',1':4,5]imidazo[1,2-a]pyridine",NA,"CC1=CC=C(N2C1=NC3=C2C4=CC=CC=C4C=C3)C","ZGOJBBJVKWSXQK-UHFFFAOYSA-N",378351,NA,"PDBC11318","660433","Present",NA,NA
+"11319","13,16:29,32-Diethenotetrapyrimido[1,2-d:1',2'-n:2'',1''-j:2''',1'''-t][1,4,11,14]tetraazacycloeicosine, 1,2,3,4,6,7,9,10,11,12,12a,16a,17,18,19,20,22,23,25,26,27,28,28a,32a-tetracosahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7,10,14,21,25,28,32-Octazaheptacyclo[32.2.2.216,19.02,7.010,15.020,25.028,33]tetraconta-1(36),16(40),17,19(39),34,37-hexaene",NA,"C1CNC2C3=CC=C(C=C3)C4NCCCN4CCN5CCCNC5C6=CC=C(C=C6)C7NCCCN7CCN2C1","CDZCPNNVVPVLLM-UHFFFAOYSA-N",373389,NA,"PDBC11319","649616","Present",NA,NA
+"11320","13,28-Dibromo-2,9,17,24-tetrazatricyclo[23.5.0.010,16]triaconta-1,10,12,14,16,25,27,29-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13,28-Dibromo-2,9,17,24-tetrazatricyclo[23.5.0.010,16]triaconta-1,10,12,14,16,25,27,29-octaene",NA,"C1CCCN=C2C=CC(=CC=C2NCCCCCCN=C3C=CC(=CC=C3NCC1)Br)Br","SVCUCZMWPIUQLE-UHFFFAOYSA-N",358335,NA,"PDBC11320","618300","Present",NA,NA
+"11321","13,28-Dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene-19,33-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13,28-Dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene-19,33-diol",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C8=C(C=C7CCN6C)OCO8)O)O","KLAOLTDJIRTAEJ-UHFFFAOYSA-N",364101,NA,"PDBC11321","629742","Present",NA,NA
+"11322","13-((4-Methylphenyl)sulfonyl)-1,4,7,10-tetrathia-13-azacyclopentadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7,10-Tetrathia-13-azacyclopentadecane, 13-[(4-methyl...",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCSCCSCCSCCSCC2","IEOHUEREWMUYFV-UHFFFAOYSA-N",373829,NA,"PDBC11322","650792","Present",NA,NA
+"11323","13-(2,4-Dichlorophenoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(2,4-Dichlorophenoxy)-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene 13-oxide",NA,"C1=CC=C2C(=C1)C=CC3=C2C4=C(C=CC5=CC=CC=C54)OP(=O)(O3)OC6=C(C=C(C=C6)Cl)Cl","KQCRJFUTKLPVQS-UHFFFAOYSA-N",360387,NA,"PDBC11323","622452","Present",NA,NA
+"11324","13-(2-(Dimethylamino)propyl)benzo[g]isochromeno[4,3-b]indol-5(13H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(2-(Dimethylamino)propyl)benzo[g]isochromeno[4,3-b]indol-5(13H)-one",NA,"CC(CN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4)N(C)C","LZXKLIZZZXXCCH-UHFFFAOYSA-N",368104,NA,"PDBC11324","638439","Present",NA,NA
+"11325","13-(3',3'-diphenylpropyl) berberine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(3',3'-diphenylpropyl) berberine chloride",NA,"COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCC(C6=CC=CC=C6)C7=CC=CC=C7)OC","IAAALMLPFGQLFI-UHFFFAOYSA-N",50899605,NA,"PDBC11325","785285","Present",NA,NA
+"11326","13-(3-Methylanilino)-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(3-Methylanilino)-8,12-dithia-10,14,15-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one",NA,"CC1=CC(=CC=C1)NC2=NN3C(=O)C4=C(N=C3S2)SC5=C4CCCC5","YWMPLXDOLCQMBX-UHFFFAOYSA-N",402650,NA,"PDBC11326","716825","Present",NA,NA
+"11327","13-(4-Chlorophenyl)-11-(4-methoxyphenyl)-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,15-heptaene-8,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(4-Chlorophenyl)-11-(4-methoxyphenyl)-14,15,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(17),2,4,6,10,12,15-heptaene-8,9-dione",NA,"COC1=CC=C(C=C1)C2=C3C(=NC4=NNC(=C24)C5=CC=C(C=C5)Cl)C6=CC=CC=C6C(=O)C3=O","FSIQSZPBBDZCIG-UHFFFAOYSA-N",60147675,NA,"PDBC11327","752173","Present",NA,NA
+"11328","13-(4-Chlorophenyl)-14-phenyldiazenyl-11-pyridin-2-yl-2-thia-9,11,13-triazatricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,9-pentaene-12-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(4-Chlorophenyl)-14-phenyldiazenyl-11-pyridin-2-yl-2-thia-9,11,13-triazatricyclo[8.3.1.03,8]tetradeca-1(14),3,5,7,9-pentaene-12-thione",NA,"C1=CC=C(C=C1)N=NC2=C3N(C(=S)N(C2=NC4=CC=CC=C4S3)C5=CC=CC=N5)C6=CC=C(C=C6)Cl","HAJTVDYXEIIDHM-UHFFFAOYSA-N",435511,NA,"PDBC11328","371189","Present",NA,NA
+"11329","13-(4-Chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(4-Chlorophenyl)-6,11-dihydroisoindolo[2,3-b][2,4]benzodiazepin-13-ol",NA,"C1C2=CC=CC=C2CN3C(=N1)C4=CC=CC=C4C3(C5=CC=C(C=C5)Cl)O","DGLUIONDYMRDKN-UHFFFAOYSA-N",395635,NA,"PDBC11329","700417","Present",NA,NA
+"11330","13-(5',5'-diphenylpentyl) berberine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(5',5'-diphenylpentyl) berberine chloride",NA,"COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCCCC(C6=CC=CC=C6)C7=CC=CC=C7)OC","VBDPGMXTTCNSBN-UHFFFAOYSA-N",76318546,NA,"PDBC11330","785288","Present",NA,NA
+"11331","13-(Trifluoromethyl)-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(trifluoromethyl)naphtho[1',2':4,5]imidazo[1,2-a]pyrid...",NA,"C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=C(C=CC4=N3)C(F)(F)F","NMHQRFSBLFQRMV-UHFFFAOYSA-N",127042965,NA,"PDBC11331","795136","Present",NA,NA
+"11332","13-Acetamido-N-[(2S)-1-(cyclohexylamino)-1-oxo-3-phenylpropan-2-yl]pentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC711426///NSC711427",NA,"CC(=O)NC1(CC2=C(C3=CC=CC=C3C=C2)C4=C(C1)C=CC5=CC=CC=C54)C(=O)NC(CC6=CC=CC=C6)C(=O)NC7CCCCC7","UQWKZSZTENNPAQ-BHVANESWSA-N",6712781,NA,"PDBC11332","711426///711427","Present",NA,NA
+"11333","13-Anilino-3-methyl-3,12,14-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2(6),4,10,12-pentaene-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(phenylamino)-10-methyl-5,6,7,10-tetrahydropyrrolo[3',...",NA,"CN1C(=CC2=C1C3=NC(=NC=C3CCC2)NC4=CC=CC=C4)C(=O)N","MFSHBVNNUTURFV-UHFFFAOYSA-N",134131600,NA,"PDBC11333","776751","Present",NA,NA
+"11334","13-Benzyl-3,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Benzyl-3,23-dimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,"CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)N(C4=O)CC7=CC=CC=C7","LNZSHMAGXSVBIS-UHFFFAOYSA-N",392068,NA,"PDBC11334","691880","Present",NA,NA
+"11335","13-Chloro-14-methyl-17-oxo-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,15-heptaene-16-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Chloro-14-methyl-17-oxo-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,15-heptaene-16-carbonitrile",NA,"CN1C(=CN2C1=C(C(=O)C3=NC4=CC=CC=C4N=C32)C#N)Cl","JGUIYULTVARHJF-UHFFFAOYSA-N",375331,NA,"PDBC11335","654905","Present",NA,NA
+"11336","13-Desoxyphomenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Desoxyphomenone",NA,"CC1C(CCC2=CC(=O)C3(C(C12C)O3)C(=C)C)O","PCBDXYONDOCJPR-BLKUAORASA-N",353550,NA,"PDBC11336","602130","Present",NA,NA
+"11337","13-Diphenylalkyl Berberine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(4',4'-diphenylbutyl) berberine chloride",NA,"COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCCC(C6=CC=CC=C6)C7=CC=CC=C7)OC","GTWMZDSMZWCFBR-UHFFFAOYSA-N",76336682,NA,"PDBC11337","785286","Present",NA,NA
+"11338","13-Hydroxy-11-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Hydroxy-11-methyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraene-2-thione",NA,"CN1C2=CC=CC=C2C3=C1C(CC4CCCN(C4)C(=S)C3)O","UGURIDOCIAPYTK-UHFFFAOYSA-N",393310,NA,"PDBC11338","694975","Present",NA,NA
+"11339","13-Hydroxy-3,23-bis(prop-2-enyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,13-Diallyl-6-hydroxy-12,13-dihydro-5H-indolo[2,3-a]py...",NA,"C=CCN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CC=C)C(=O)N(C4=O)O","OWCBXAYVALOUSY-UHFFFAOYSA-N",155807298,NA,"PDBC11339","783510","Present",NA,NA
+"11340","13-Hydroxy-3-(6-morpholin-4-yl-6-oxohexyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-12-(6-morpholino-6-oxohexyl)-12,13-dihydro-5H-...",NA,"C1COCCN1C(=O)CCCCCN2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)O","XEBQPIMUDFDTPP-UHFFFAOYSA-N",155805392,NA,"PDBC11340","783514","Present",NA,NA
+"11341","13-Hydroxy-3-(6-morpholin-4-ylhexyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[6-(6-Hydroxy-5,7-dioxo-5,6,7,13-tetrahydro-12H-indolo...",NA,"C1COCCN1CCCCCCN2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)O","LQCGYSIEFLPMAY-UHFFFAOYSA-N",155807103,NA,"PDBC11341","785682","Present",NA,NA
+"11342","13-Hydroxy-7-methoxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Hydroxy-7-methoxy-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-2-one",NA,"COC1=CC2=C(C=C1)NC3=C2CC(=O)N4CCCC(C4)CC3O","ADHUSIZSJQFHMD-UHFFFAOYSA-N",393308,NA,"PDBC11342","694973","Present",NA,NA
+"11343","13-Methoxy-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-methoxy-naphtho[1',2':4,5]-imidazo[1,2-a]pyridine-5,6-...",NA,"COC1=CN2C(=NC3=C2C(=O)C(=O)C4=CC=CC=C43)C=C1","YPGSDBSFQPHKMV-UHFFFAOYSA-N",127042931,NA,"PDBC11343","795140","Present",NA,NA
+"11344","13-Methoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Methoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine",NA,"COC1=CC2=C(CCCN3C2C4=CC=CC=C4CC3)C=C1","YBVQWCLPAZYLFG-UHFFFAOYSA-N",390000,NA,"PDBC11344","686923","Present",NA,NA
+"11345","13-Methoxy-6-methyl-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Methoxy-6-methyl-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene",NA,"CN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC","DETISAIMFATFMX-UHFFFAOYSA-N",438699,NA,"PDBC11345","658995","Present",NA,NA
+"11346","13-Methoxydihydronitidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitidine, methoxydihydro",NA,"CN1C(C2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC)OC","SZEOMBMBHCBJJE-UHFFFAOYSA-N",38845,NA,"PDBC11346","146396","Present",NA,NA
+"11347","13-Methyl-1,3,5,7,10-pentakis-phenyl-4-thia-10,13-diazatetracyclo[5.5.1.02,6.08,12]trideca-2,5-diene-9,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Methyl-1,3,5,7,10-pentakis-phenyl-4-thia-10,13-diazatetracyclo[5.5.1.02,6.08,12]trideca-2,5-diene-9,11-dione",NA,"CN1C2(C3C(C1(C4=C(SC(=C42)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C(=O)N(C3=O)C8=CC=CC=C8)C9=CC=CC=C9","UTEUJMQYIJTBGW-UHFFFAOYSA-N",363193,NA,"PDBC11347","627867","Present",NA,NA
+"11348","13-Methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,"CN1C(=O)C2=C3C4=CC=CC=C4NC3=C5C(=C2C1=O)C6=CC=CC=C6N5C7C(C(C(C(O7)CO)O)O)O","URLWTPJXRLXCMF-UHFFFAOYSA-N",392223,NA,"PDBC11348","692356","Present",NA,NA
+"11349","13-Methyl-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaen-18-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Methyl-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(19),2(10),3(7),8,16(20),17-hexaen-18-amine",NA,"CN1CCC2=C3C1CC4=C(C3=CC(=C2)N)C5=C(C=C4)OCO5","GFLPGNFIZZGPRP-UHFFFAOYSA-N",398347,NA,"PDBC11349","708067","Present",NA,NA
+"11350","13-Methylnaphtho[1,2-c]quinolizin-5-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[1,2-c]quinolizinium, 13-methyl-, chloride",NA,"CC1=CC2=C(C=CC3=CC=CC=C32)[N+]4=CC=CC=C14.[Cl-]","NPZNZMKCACZBLM-UHFFFAOYSA-M",21144417,NA,"PDBC11350","110383","Present",NA,NA
+"11351","13-Phenylsulfanyl-13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Phenylsulfanyl-13-sulfanylidene-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene",NA,"C1=CC=C(C=C1)SP2(=S)OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65","ZVWYBKWVLCLEHL-UHFFFAOYSA-N",360389,NA,"PDBC11351","622454","Present",NA,NA
+"11352","13-[2-[[(1R,2R)-2-Aminocyclopentyl]amino]ethyl]-3-(4,5-dihydroxy-6-methyloxan-2-yl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(((1R,2R)-2-aminocyclopentyl)amino)ethyl]-L-olivosy...",NA,"CC1C(C(CC(O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)CCNC8CCCC8N)O)O","BKZBMOQAWMEOBB-LKSZMPJKSA-N",155814151,NA,"PDBC11352","782961","Present",NA,NA
+"11353","13-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-17-thia-11,13,14-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,14-hexaen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propyl]-17-thia-11,13,14-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,14-hexaen-12-one",NA,"C1CN(CCN1CCCN2C(=O)N3C(=N2)CSC4=C3C=CC5=CC=CC=C54)C6=CC(=CC=C6)Cl","IFJGFQAURHHDFU-UHFFFAOYSA-N",393576,NA,"PDBC11353","695646","Present",NA,NA
+"11354","13-[[2-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-[[2-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane",NA,"C1CN2CCN3P24(N1CCN4CC3)SCC5=CC=CC=C5CSP678N9CCN6CCN7CCN8CC9","OYVLUPXAGFSSPF-UHFFFAOYSA-N",393579,NA,"PDBC11354","695650","Present",NA,NA
+"11355","13-[[3-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-[[3-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane",NA,"C1CN2CCN3P24(N1CCN4CC3)SCC5=CC(=CC=C5)CSP678N9CCN6CCN7CCN8CC9","GNMMNSKHUNONDB-UHFFFAOYSA-N",393580,NA,"PDBC11355","695651","Present",NA,NA
+"11356","13-[[4-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-[[4-(1,4,7,10-Tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecan-13-ylsulfanylmethyl)phenyl]methylsulfanyl]-1,4,7,10-tetraza-13lambda5-phosphatetracyclo[5.5.1.04,13.010,13]tridecane",NA,"C1CN2CCN3P24(N1CCN4CC3)SCC5=CC=C(C=C5)CSP678N9CCN6CCN7CCN8CC9","QZYQYYAEJNWJKQ-UHFFFAOYSA-N",393581,NA,"PDBC11356","695652","Present",NA,NA
+"11357","14,15,18-Triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,15,18-Triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one",NA,"C1CC2=CC=CC=C2C3=C(C1)C4=C(N3)C=NNC4=O","NENJZDBYRHOJAV-UHFFFAOYSA-N",135426790,NA,"PDBC11357","718582","Present",NA,NA
+"11358","14,15-Didehydrocoryn-19-en-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,15-Didehydrocoryn-19-en-17-ol",NA,"CC=C1CN2CCC3=C(C2C=C1CCO)NC4=CC=CC=C34","YPFRYGPXDDVVHY-XNJYKOPJSA-N",5467195,NA,"PDBC11358","648231","Present",NA,NA
+"11359","14,15-cyclopropano-1-N-formyl-vinorelbine-sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,15-cyclopropano-1-N-formyl-vinorelbine-sulfate",NA,"CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC","PFJQECMDAFLTOX-XRFSQDKESA-N",155811526,NA,"PDBC11359","775507","Present",NA,NA
+"11360","14,15-cyclopropano-8'-desmethylene-vinblastine-sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,15-cyclopropano-8'-desmethylene-vinblastine-sulfate",NA,"CCC1(CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O","MFPUNENLVZPHFO-CFCAUJNSSA-N",155812848,NA,"PDBC11360","775609","Present",NA,NA
+"11361","14,15-cyclopropano-anhydrovinblastine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,15-cyclopropano-anhydrovinblastine",NA,"CCC1=CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC","VEPPKJWJLBMKNF-YXRASNILSA-N",155817223,NA,"PDBC11361","791526","Present",NA,NA
+"11362","14,17,17,21,21,24-Hexamethyl-16,22-dioxa-1,5-diazanonacyclo[17.13.2.02,18.03,15.04,12.06,11.023,34.026,33.027,32]tetratriaconta-3(15),4(12),6,8,10,13,23(34),24,26(33),27,29,31-dodecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,17,17,21,21,24-Hexamethyl-16,22-dioxa-1,5-diazanonacyclo[17.13.2.02,18.03,15.04,12.06,11.023,34.026,33.027,32]tetratriaconta-3(15),4(12),6,8,10,13,23(34),24,26(33),27,29,31-dodecaene",NA,"CC1=CC2=C(C3=C1OC(C4C3N5C6=CC=CC=C6C7=C5C8=C(C(=C7)C)OC(CC48)(C)C)(C)C)NC9=CC=CC=C92","WWTXWAINXWPLQK-UHFFFAOYSA-N",375156,NA,"PDBC11362","654290","Present",NA,NA
+"11363","14,17,21-Trihydroxypregn-4-ene-3,20-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,17,21-Trihydroxypregn-4-ene-3,20-dione",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3(CCC4(C(=O)CO)O)O)C","NBOPGWCQYLBUPH-FHBGEGHHSA-N",101785,NA,"PDBC11363","79103","Present",NA,NA
+"11364","14,17-Dihydroxytricyclo[10.3.3.01,12]octadeca-13,16-diene-13,15,16,18-tetracarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,17-Dihydroxytricyclo[10.3.3.01,12]octadeca-13,16-diene-13,15,16,18-tetracarboxylic acid",NA,"C1CCCCCC23C(C(=C(C2(CCCC1)C(C(=C3C(=O)O)O)C(=O)O)C(=O)O)O)C(=O)O","ZMKPCPGPHSPHTG-UHFFFAOYSA-N",54676242,NA,"PDBC11364","627686","Present",NA,NA
+"11365","14,19-Dibenzyl-2-phenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,19-Dibenzyl-2-phenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone",NA,"C1=CC=C(C=C1)CN2C(=O)C3C4C=C5C6=CC=CC=C6N(C5(C3C2=O)C7C4C(=O)N(C7=O)CC8=CC=CC=C8)C9=CC=CC=C9","XAXWIUWDOCTBFG-UHFFFAOYSA-N",363856,NA,"PDBC11365","629121","Present",NA,NA
+"11366","14,21-Dimethyl-1,12-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-2,4,6,8,10,12,14,16,18,20-decaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,14-Dimethylnaphtho[2',3':4,5]imidazo[1,2-b]isoquinoline",NA,"CC1=C2C=CC=CC2=C(N3C1=NC4=CC5=CC=CC=C5C=C43)C","WISYHMYRACVPRI-UHFFFAOYSA-N",379114,NA,"PDBC11366","663328","Present",NA,NA
+"11367","14,22-Dioxa-3,8,28-triazapentacyclo[21.2.2.24,7.210,13.116,20]dotriaconta-1(26),2,4,6,8,10,12,16,18,20(28),23(27),24,29,31-tetradecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,22-Dioxa-3,8,28-triazapentacyclo[21.2.2.24,7.210,13.116,20]dotriaconta-1(26),2,4,6,8,10,12,16,18,20(28),23(27),24,29,31-tetradecaene",NA,"C1C2=NC(=CC=C2)COC3=CC=C(C=C3)C=NC4=CC=C(C=C4)N=CC5=CC=C(O1)C=C5","DFJXVTZAJCINNC-UHFFFAOYSA-N",393563,NA,"PDBC11367","695633","Present",NA,NA
+"11368","14,22-Dioxa-6,30,36-triazahexacyclo[29.2.2.22,5.116,20.08,13.023,28]octatriaconta-1(34),2(38),3,5(37),6,8,10,12,16(36),17,19,23,25,27,29,31(35),32-heptadecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,10:11,14-Dietheno-28H-23,27-nitrilo-22H-dibenzo[b,p] [...",NA,"C1C2=NC(=CC=C2)COC3=CC=CC=C3C=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=CC6=CC=CC=C6O1","CCWMEUGJIIMLHD-UHFFFAOYSA-N",388224,NA,"PDBC11368","682817","Present",NA,NA
+"11369","14,31-Ditert-butyl-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4,6,8,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,31-Ditert-butyl-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4,6,8,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide",NA,"CC(C)(C)C1=CC2=C(C=C1)OCCOCCOCCOC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)NC4=CC=CC=C4NS2(=O)=O","MTEQHNZGDKUJAH-UHFFFAOYSA-N",360741,NA,"PDBC11369","623080","Present",NA,NA
+"11370","14,31-Ditert-butyl-6-chloro-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4(9),5,7,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,31-Ditert-butyl-6-chloro-18,21,24,27-tetraoxa-2lambda6,11lambda6-dithia-3,10-diazatetracyclo[26.4.0.04,9.012,17]dotriaconta-1(28),4(9),5,7,12(17),13,15,29,31-nonaene 2,2,11,11-tetraoxide",NA,"CC(C)(C)C1=CC2=C(C=C1)OCCOCCOCCOC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)NC4=C(C=CC(=C4)Cl)NS2(=O)=O","JAFHGQKNNJPWDJ-UHFFFAOYSA-N",360742,NA,"PDBC11370","623081","Present",NA,NA
+"11371","14-(6-Hydroxy-5-methylpiperidin-2-yl)tetradecan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dl-Spectaline",NA,"CC1CCC(NC1O)CCCCCCCCCCCCC(=O)C","RNWTVOYJFYATPT-SXLOBPIMSA-N",374547,NA,"PDBC11371","652298","Present",NA,NA
+"11372","14-(Aminomethyl)-5,9-dimethyl-12-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-(Aminomethyl)-5,9-dimethyl-12-propan-2-yltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid",NA,"CC(C)C12CCC3(CCC4C(C3C1)(CCCC4(C)C(=O)O)C)C(C2)CN","CFSIKOAGZWBLPX-UHFFFAOYSA-N",250607,NA,"PDBC11372","70194","Present",NA,NA
+"11373","14-15 Epoxy-16beta-hydroxyazadirone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-15 Epoxy-16.beta.-hydroxyazadirone",NA,"CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(C(C5(CC3)C)C6=COC=C6)O)C)C)(C)C","SGXBWJVOLPTHLP-ICDHDYFYSA-N",6711946,NA,"PDBC11373","647768","Present",NA,NA
+"11374","14-15-Cyclopropanovindesine-sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-15-Cyclopropanovindesine-sulfate",NA,"CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C)(C(=O)N)O)O)CC)OC)C(=O)OC)O","DSIPFVAINUSSIE-SJKWVTIXSA-N",155816437,NA,"PDBC11374","781619","Present",NA,NA
+"11375","14-Benzoyl-2,3-dithia-11,18-diazatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12(17),13,15,20,22-nonaene-10,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Benzoyl-2,3-dithia-11,18-diazatetracyclo[18.4.0.04,9.012,17]tetracosa-1(24),4,6,8,12(17),13,15,20,22-nonaene-10,19-dione",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=O)C4=CC=CC=C4SSC5=CC=CC=C5C(=O)N3","KPBGGXUEWQCVBP-UHFFFAOYSA-N",382463,NA,"PDBC11375","670031","Present",NA,NA
+"11376","14-Benzoylperegrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Benzoylperegrine",NA,"CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6OCC7=CC=CC=C7)OC)OC)OC(=O)C)OC)C","MPZNHEHDGYFENJ-AAWPJNSDSA-N",6852267,NA,"PDBC11376","658003","Present",NA,NA
+"11377","14-Bromo-7-O-(2,6-trideoxy-2-fluoro-alpha-L-talo-hexo-pyranosyl)-4-demethoxydaunomycinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Bromo-7-O-(2,3,6-trideoxy-2-fluoro-.alpha.-L-talo-hex...",NA,"CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CBr)O)F)O)O","YSPAGBZXAVKHPD-VFQFLLOGSA-N",6712216,NA,"PDBC11377","659949","Present",NA,NA
+"11378","14-Bromobenzo[7,8]indolizino[2,3-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Bromobenzo[7,8]indolizino[2,3-b]quinoxaline",NA,"C1=CC=C2C(=C1)C=CN3C2=C(C4=NC5=CC=CC=C5N=C43)Br","HBLBVUNRKGGUAF-UHFFFAOYSA-N",375027,NA,"PDBC11378","653853","Present",NA,NA
+"11379","14-Chloro-20(S)-camptothecin hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643833",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2Cl)O","YSECKCJSQWAIGC-FQEVSTJZSA-N",6711820,NA,"PDBC11379","643833","Present",NA,NA
+"11380","14-Chloro-8-azoniatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),12(17),13,15-pentaene;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Chloro-8-azoniatetracyclo[8.8.0.02,8.012,17]octadeca-1(18),2(8),12(17),13,15-pentaene;trifluoromethanesulfonate",NA,"C1CCC2=[N+](CC1)CC3C2=CC4=C(C3)C=C(C=C4)Cl.C(F)(F)(F)S(=O)(=O)[O-]","PHOMSDLSBFFDKL-UHFFFAOYSA-M",397955,NA,"PDBC11380","707029","Present",NA,NA
+"11381","14-Deoxy-12-hydroxyandrographolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[1-Hydroxy-2-[6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one",NA,"CC12CCC(C(C1CCC(=C)C2CC(C3=CCOC3=O)O)(C)CO)O","KHQNSSJNIXVKMK-UHFFFAOYSA-N",363866,NA,"PDBC11381","629155","Present",NA,NA
+"11382","14-Ethynyl-1,4-dioxaspiro[4.17]docosan-14-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Ethynyl-1,4-dioxaspiro[4.17]docosan-14-ol",NA,"C#CC1(CCCCCCCCC2(CCCCCCCC1)OCCO2)O","ILKJXTMDFHGUBU-UHFFFAOYSA-N",380901,NA,"PDBC11382","666683","Present",NA,NA
+"11383","14-Fluoro-4-demethoxydaunorubicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Fluoro-4-demethoxydaunorubicin",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CF)O)N)O","GGFDHOKVCVFSRP-WMPUSZARSA-N",6711360,NA,"PDBC11383","623128","Present",NA,NA
+"11384","14-Hydroxy-2,3,6,7-tetramethoxy-9,12,13,13a,14,14a-hexahydro-8bH-phenanthro[9,10-f]indolizin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Hydroxy-2,3,6,7-tetramethoxy-8b,11,12,12a,13,13a-hexa...",NA,"COC1=C(C=C2C(=C1)C3CN4C(CCC4=O)C(C3C5=CC(=C(C=C52)OC)OC)O)OC","KIQPXAFGDZHFOT-UHFFFAOYSA-N",402924,NA,"PDBC11384","717334","Present",NA,NA
+"11385","14-Hydroxy-6,13-bis(3-pyrrolidin-1-ylpropyl)-3-(3-pyrrolidin-1-ylpropylamino)-10-(3-pyrrolidin-1-ylpropylimino)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),8,11(15)-pentaene-5,7,12-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Hydroxy-6,13-bis(3-pyrrolidin-1-ylpropyl)-3-(3-pyrrolidin-1-ylpropylamino)-10-(3-pyrrolidin-1-ylpropylimino)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),2,4(16),8,11(15)-pentaene-5,7,12-",NA,"C1CCN(C1)CCCNC2=CC3=C(N(C(=O)C4=C3C5=C2C(=O)N(C(=O)C5=CC4=NCCCN6CCCC6)CCCN7CCCC7)CCCN8CCCC8)O","DBEUWOMSYGTSOR-UHFFFAOYSA-N",135875632,NA,"PDBC11385","753940","Present",NA,NA
+"11386","14-Hydroxyhypocretenolide-beta-D-glucoside-4',14''-hydroxy hypocretenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Hydroxyhypocretenolide-.beta.-D-glucoside-4',14""""""""""""""""-hydr...",NA,"CC1=CC(=O)C2C1(CC(CCC2CO)C(=C)C(=O)OC3C(OC(C(C3O)O)OCC4CCC5CC6(C4C(=O)C=C6C)OC(=O)C5=C)CO)O","FGLVTFPWKJXSIU-UFHOAEAISA-N",401063,NA,"PDBC11386","713791","Present",NA,NA
+"11387","14-Methoxy-11-methyl-14-azadispiro[5.1.5^{8}.2^{6}]pentadec-12-ene-7,15-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Methoxy-11-methyl-14-azadispiro[5.1.5^{8}.2^{6}]pentadec-12-ene-7,15-dione",NA,"CC1CCC2(C=C1)C(=O)C3(CCCCC3)C(=O)N2OC","BUFHUBGYZDDJBC-UHFFFAOYSA-N",370366,NA,"PDBC11387","643431","Present",NA,NA
+"11388","14-Methoxy-9-[3-(4-methylpiperazin-1-yl)propyl]-5-nitro-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Aza-5,6-dihydro-6-[3-(3H-methylpiperazine-1-yl)propyl]...",NA,"CN1CCN(CC1)CCCN2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=O)C5=C3N=CC(=C5)OC","INJUSSRMORXZTG-UHFFFAOYSA-N",137635982,NA,"PDBC11388","783075","Present",NA,NA
+"11389","14-Methoxy-epothilone D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-methoxy-epothilone D",NA,"CC1CCCC(=CC(C(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)OC)C","HQZJRAPNHNYEMZ-UPBMFQQMSA-N",44225568,NA,"PDBC11389","753573","Present",NA,NA
+"11390","14-Methyl-1-propan-2-yl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Methyl-1-propan-2-yl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene",NA,"CC(C)C12CC3=C(C=CC4=CC=CC=C34)OC1(OC5=C(C2)C6=CC=CC=C6C=C5)C","RSRWBILJBVEIQE-UHFFFAOYSA-N",360854,NA,"PDBC11390","623505","Present",NA,NA
+"11391","14-Methyl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Methyl-13,15-dioxahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-3(12),4,6,8,10,16(25),17,19,21,23-decaene",NA,"CC12C(CC3=C(O1)C=CC4=CC=CC=C34)CC5=C(O2)C=CC6=CC=CC=C56","BXZCDVKPNGPGTC-UHFFFAOYSA-N",360350,NA,"PDBC11391","622400","Present",NA,NA
+"11392","14-Methyl-14-azadispiro[5.1.5^{8}.2^{6}]pentadec-9-en-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Methyl-14-azadispiro[5.1.5^{8}.2^{6}]pentadec-9-en-7-ol",NA,"CN1CC2(CCCCC2)C(C13CCCC=C3)O","BSGLKPBTNUWHAD-UHFFFAOYSA-N",370367,NA,"PDBC11392","643432","Present",NA,NA
+"11393","14-Methyl-17-oxo-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,15-heptaene-16-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Methyl-17-oxo-2,9,11,14-tetrazatetracyclo[8.7.0.03,8.011,15]heptadeca-1,3,5,7,9,12,15-heptaene-16-carbonitrile",NA,"CN1C=CN2C1=C(C(=O)C3=NC4=CC=CC=C4N=C32)C#N","HOYFRBGIWOKKEB-UHFFFAOYSA-N",375330,NA,"PDBC11393","654904","Present",NA,NA
+"11394","14-Methyl-3b,4,5,6,7,8,9,9a,14,14b-decahydro-1H-cycloocta[c]furo[3,4-a]carbazole-1,3(3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Methyl-3b,4,5,6,7,8,9,9a,14,14b-decahydro-1H-cycloocta[c]furo[3,4-a]carbazole-1,3(3aH)-dione",NA,"CN1C2=CC=CC=C2C3=C1C4C(C5C3CCCCCC5)C(=O)OC4=O","PLPKUGCPCLWSFX-UHFFFAOYSA-N",362450,NA,"PDBC11394","626397","Present",NA,NA
+"11395","14-Methyl-6,7-dithia-2,11-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Methyl-6,7-dithia-2,11-diazabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,10-dione",NA,"CC1=CC2=C(C=C1)NC(=O)CCSSCCC(=O)N2","FQAFWMROYVTKMF-UHFFFAOYSA-N",382461,NA,"PDBC11395","670028","Present",NA,NA
+"11396","14-Morpholinodaunomycin monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Morpholinodaunomycin monohydrochloride",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CN6CCOCC6)O)N)O.Cl","FBMCFPYWAZGHQG-PYBHCKQVSA-N",24196812,NA,"PDBC11396","239400","Present",NA,NA
+"11397","14-Nitro-4-oxo-6-(3,4,5-trimethoxyphenyl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Nitro-4-oxo-6-(3,4,5-trimethoxyphenyl)-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)NC3=C2CCCC4=C3C=C(C=C4)[N+](=O)[O-])C#N","STVAOTVNYMDBMG-UHFFFAOYSA-N",401108,NA,"PDBC11397","714002","Present",NA,NA
+"11398","14-Nitro-4-oxo-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Nitro-4-oxo-6-phenyl-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile",NA,"C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=CC=C4","SHRPQGUJIHOZSZ-UHFFFAOYSA-N",403236,NA,"PDBC11398","717895","Present",NA,NA
+"11399","14-Nitro-6-(4-nitrophenyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Nitro-6-(4-nitrophenyl)-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(11),12,14-triene-4-thione",NA,"C1CC2C(NC(=S)NC2C3=C(C1)C=CC(=C3)[N+](=O)[O-])C4=CC=C(C=C4)[N+](=O)[O-]","VUXCFQZRWRCNSK-UHFFFAOYSA-N",5472332,NA,"PDBC11399","717902","Present",NA,NA
+"11400","14-Propyl-14H-dibenzo[a,j]xanthene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Propyl-14H-dibenzo[a,j]xanthene",NA,"CCCC1C2=C(C=CC3=CC=CC=C32)OC4=C1C5=CC=CC=C5C=C4","OSZWSSXJFIRCQQ-UHFFFAOYSA-N",277509,NA,"PDBC11400","126401","Present",NA,NA
+"11401","14-Thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,4,7,9,12,15-hexaene-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1,4,7,9,12,15-hexaene-3,6-dione",NA,"C1=CC(=O)C2=NC=C3C(=C2C1=O)N=C4N3C=CS4","IIQCMJOPNYFMFY-UHFFFAOYSA-N",406815,NA,"PDBC11401","725107","Present",NA,NA
+"11402","14-[2-(Dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino]propyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-[2-(Dimethylamino)ethyl]-N-[3-[3-[[14-[2-(dimethylamino)ethyl]-4-methoxy-8,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9,11,13(16)-heptaene-10-carbonyl]amino]propyl-methylamino",NA,"CN(C)CCN1C2=C3C(=C(C=C2)C(=O)NCCCN(C)CCCNC(=O)C4=C5C6=C(C=C4)N(N=C6C7=C(N5)C=CC(=C7)OC)CCN(C)C)NC8=C(C3=N1)C=C(C=C8)OC","SMROYVOGMSQMJK-UHFFFAOYSA-N",135426710,NA,"PDBC11402","710552","Present",NA,NA
+"11403","14b,14c-Dihydroacenaphtho[1,2-b]benzo[f]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14b,14c-Dihydroacenaphtho[1,2-b]benzo[f]quinoxaline",NA,"C1=CC=C2C(=C1)C=CC3=C2N=C4C5=CC=CC6=CC=CC(C65)C4=N3","RFXZRQNDEBNELR-UHFFFAOYSA-N",379387,NA,"PDBC11403","663929","Present",NA,NA
+"11404","15,15-Dimethyl-11-phenyl-14-oxa-11-azapentacyclo[6.5.1.13,6.01,6.09,13]pentadecane-7,10,12-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15,15-Dimethyl-11-phenyl-14-oxa-11-azapentacyclo[6.5.1.13,6.01,6.09,13]pentadecane-7,10,12-trione",NA,"CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)N(C5=O)C6=CC=CC=C6)C","ZUGTUFHISUSUOV-UHFFFAOYSA-N",361726,NA,"PDBC11404","624968","Present",NA,NA
+"11405","15,16-Dichloro-20-(3-imidazol-1-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(1H-imidazol-1-yl)propyl)-2,3-dichloro-5H-[1,3]diox...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4CCCN6C=CN=C6)Cl)Cl","NVWZHPZYXUQSKV-UHFFFAOYSA-N",122471483,NA,"PDBC11405","782771","Present",NA,NA
+"11406","15,16-Dichloro-20-[(2S)-2,3-dihydroxypropyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-2,3-dichloro-6-(2,3-dihydroxypropyl)-5H-[1,3]dioxolo...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4CC(CO)O)Cl)Cl","ARIPEJUFKRWZFM-QMMMGPOBSA-N",122660206,NA,"PDBC11406","782772","Present",NA,NA
+"11407","15,16-Difluoro-20-(3-imidazol-1-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(1H-imidazol-1-yl)propyl)-2,3-difluoro-5H-[1,3]diox...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4CCCN6C=CN=C6)F)F","INXOSBIKPYGOJK-UHFFFAOYSA-N",122471485,NA,"PDBC11407","782769","Present",NA,NA
+"11408","15,16-Dimethoxy-20-[(3R)-oxolan-3-yl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-5,6-dihydro-6-(tetrahydrofuran-3-yl)-2,3-dimethoxy-8...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)C6CCOC6)OC","XRIVEXDSZASUKU-LLVKDONJSA-N",155810361,NA,"PDBC11408","785628","Present",NA,NA
+"11409","15,16-Dimethoxy-20-piperidin-4-yl-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(piperidin-4-yl)-2,3-dimethoxy-8,9-methyle...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)C6CCNCC6)OC","MWJWDYPNNRMLNJ-UHFFFAOYSA-N",155806998,NA,"PDBC11409","785623","Present",NA,NA
+"11410","15,17-Dimethoxytricyclo(11.3.1.1(5,9))octadeca-1(17),5,8,13,15-pentaene-7,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tricyclo[11.3.1.1(5,9)]octadeca-1(17),5,8,13,15-pentaene...",NA,"COC1=CC2=C(C(=C1)CCCC3=CC(=O)C=C(C3=O)CCC2)OC","VCEDWTLHLIZOJL-UHFFFAOYSA-N",335440,NA,"PDBC11410","344832","Present",NA,NA
+"11411","15,18-Dihydroxy-5,7-dimethyl-11-thia-2,5,7,9-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),3(8),9,14,16,18-hexaene-4,6,13,20-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15,18-Dihydroxy-5,7-dimethyl-11-thia-2,5,7,9-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(12),3(8),9,14,16,18-hexaene-4,6,13,20-tetrone",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C4=C(C(=O)C5=C(C=CC(=C5C4=O)O)O)SC3=N2","IVLUYKYLSSTXDK-UHFFFAOYSA-N",380627,NA,"PDBC11411","666302","Present",NA,NA
+"11412","15,3,5(10)-Trien-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15,16-secoestra-1,3,5(10)-trien-3-ol",NA,"CCC1(CCC2C(C1C)CCC3=C2C=CC(=C3)O)C","UGIZFEGQSXWSAF-IGQHBQKQSA-N",380838,NA,"PDBC11412","666568","Present",NA,NA
+"11413","15-(3,4-Dihydroxy-5-methoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8-pentaen-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-(3,4-Dihydroxy-5-methoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8-pentaen-13-one",NA,"COC1=CC(=CC(=C1O)O)C2C3=CC=CC4=C3C(=CC=C4)C5N2C(=O)CC5","XDONCFAHMRIQHS-UHFFFAOYSA-N",393642,NA,"PDBC11413","695853","Present",NA,NA
+"11414","15-(4-Bromophenyl)-11-methyl-13-phenyl-8,14lambda4-dithia-13,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),10(14),11-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-(4-Bromophenyl)-11-methyl-13-phenyl-8,14lambda4-dithia-13,15-diazatetracyclo[7.6.0.02,7.010,14]pentadeca-1(9),2(7),10(14),11-tetraene",NA,"CC1=CN(S2=C1C3=C(N2C4=CC=C(C=C4)Br)C5=C(S3)CCCC5)C6=CC=CC=C6","MCQAOHJDEJQCID-UHFFFAOYSA-N",390167,NA,"PDBC11414","687312","Present",NA,NA
+"11415","15-(4-Bromophenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-(4-Bromophenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one",NA,"CC1(CC2=C3C(=NC4=C(C3=C(N2)C5=CC=C(C=C5)Br)C(=O)CC(C4)(C)C)C1)C","HEHPNPQDFUOYNL-UHFFFAOYSA-N",5471830,NA,"PDBC11415","714391","Present",NA,NA
+"11416","15-(4-Chlorophenyl)-3,5-dioxa-11,14-diazatetracyclo[7.6.0.0^{2,6}.0^{10,14}]pentadeca-1,6,8,10-tetraen-15-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-(4-Chlorophenyl)-3,5-dioxa-11,14-diazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),2(6),7,10-tetraen-15-ol",NA,"C1CN2C(=N1)C3=C(C2(C4=CC=C(C=C4)Cl)O)C5=C(C=C3)OCO5","HKALZDMFTTZJLT-UHFFFAOYSA-N",403507,NA,"PDBC11416","718507","Present",NA,NA
+"11417","15-(4-Hydroxy-3,5-dimethoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8-pentaen-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-(4-Hydroxy-3,5-dimethoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-1,3,5(16),6,8-pentaen-13-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3=CC=CC4=C3C(=CC=C4)C5N2C(=O)CC5","JQULMCAJNKZANR-UHFFFAOYSA-N",393639,NA,"PDBC11417","695850","Present",NA,NA
+"11418","15-(4-Methoxyphenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-(4-Methoxyphenyl)-5,5,11,11-tetramethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one",NA,"CC1(CC2=C3C(=NC4=C(C3=C(N2)C5=CC=C(C=C5)OC)C(=O)CC(C4)(C)C)C1)C","JCSGWDWXXCLTQZ-UHFFFAOYSA-N",5471829,NA,"PDBC11418","714390","Present",NA,NA
+"11419","15-Benzylsulfanyl-13-pyridin-3-yl-10-thia-12,14,16,17-tetrazatetracyclo[9.7.0.02,9.014,18]octadeca-1(11),2(9),12,15,17-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(benzylthio)-5-(pyridin-3-yl)-8,9,10,11,12,13-hexahydr...",NA,"C1CCCC2=C(CC1)C3=C(S2)N=C(N4C3=NN=C4SCC5=CC=CC=C5)C6=CN=CC=C6","WBMYZGRNQVNSES-UHFFFAOYSA-N",155805259,NA,"PDBC11419","775029","Present",NA,NA
+"11420","15-Crown-5-tris(2,4-pentadionato)vanadium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Crown-5-tris(2,4-pentadionato)vanadium(III)",NA,"CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.C1COCCOCCOCCOCCO1.[V]","CFBIEDZHXGTWIS-UHFFFAOYSA-N",365235,NA,"PDBC11420","632598","Present",NA,NA
+"11421","15-Crown-5-vanadium(III)trichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Crown-5-vanadium(III)trichloride",NA,"C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[V]","TXLVFZZPCMTRBG-UHFFFAOYSA-R",54608066,NA,"PDBC11421","632599","Present",NA,NA
+"11422","15-Cyanopuupehenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Cyanopuupehenol",NA,"CC1(CCCC2(C1CCC3(C2C(C4=CC(=C(C=C4O3)O)O)C#N)C)C)C","UMZGPRHGCSRZHW-QTGRIQAZSA-N",379063,NA,"PDBC11422","663003","Present",NA,NA
+"11423","15-Deacetylsergeolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SERGEOLIDE,DESACETYL",NA,"CC1C2CC3C45COC(C4C(C(=O)O3)O)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC","NPWJHTWCKHUSAM-UHFFFAOYSA-N",125729,NA,"PDBC11423","364170","Present",NA,NA
+"11424","15-Ethoxynimbocinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Ethoxynimbocinol",NA,"CCOC1=C2C(CCC3C2(C(CC4C3(C=CC(=O)C4(C)C)C)O)C)(C(C1=O)C5=COC=C5)C","FHCLKMBRHVBNFS-TVHCNMLUSA-N",368985,NA,"PDBC11424","640466","Present",NA,NA
+"11425","15-Methyl-12,18-dioxa-6,24-diazapentacyclo[23.2.2.22,5.28,11.219,22]pentatriaconta-1(28),2(35),3,5(34),6,8,10,19(31),20,22(30),23,25(29),26,32-tetradecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Methyl-12,18-dioxa-6,24-diazapentacyclo[23.2.2.22,5.28,11.219,22]pentatriaconta-1(28),2(35),3,5(34),6,8,10,19(31),20,22(30),23,25(29),26,32-tetradecaene",NA,"CC1CCOC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=CC5=CC=C(C=C5)OCC1","MYIKEEDGSQDDPJ-UHFFFAOYSA-N",396926,NA,"PDBC11425","704107","Present",NA,NA
+"11426","15-Methyl-14-phenyl-3,8-dithia-15-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Methyl-14-phenyl-3,8-dithia-15-azatetracyclo[10.3.0.02,6.07,11]pentadeca-1,4,6,9,11,13-hexaene",NA,"CN1C(=CC2=C3C=CSC3=C4C=CSC4=C21)C5=CC=CC=C5","ITNNWRSCEHRMRR-UHFFFAOYSA-N",395490,NA,"PDBC11426","700132","Present",NA,NA
+"11427","15-Oxa-2,3,14,16-tetraza-10-azonia-11-azanidapentacyclo[10.7.0.02,10.04,9.013,17]nonadeca-1(12),3,5,7,9,13,16,18-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Oxa-2,3,14,16-tetraza-10-azonia-11-azanidapentacyclo[10.7.0.02,10.04,9.013,17]nonadeca-1(12),3,5,7,9,13,16,18-octaene",NA,"C1=CC2=NN3C4=C(C5=NON=C5C=C4)[N-][N+]3=C2C=C1","DUWUAHHRSKRTIB-UHFFFAOYSA-N",389865,NA,"PDBC11427","686494","Present",NA,NA
+"11428","15-Oxozoapatlin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-oxozoapatlin",NA,"CC12CCCC3(C1CCC45C3(CCC(C4)C(=C)C5=O)C)OC2=O","JZONYWULSJTTAI-IXFQNSDBSA-N",391317,NA,"PDBC11428","690290","Present",NA,NA
+"11429","15-Phenyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Phenyl-13,14,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),14-heptaen-12-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)C3=C2NC4=C3C=CC5=CC=CC=C54","JKVAPEYRKWFZCZ-UHFFFAOYSA-N",135426789,NA,"PDBC11429","718581","Present",NA,NA
+"11430","15-Tert-butyl-20-deoxyvinblastine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-tert-butyl-20-deoxyvinblastine",NA,"CCC1CN2CCC3=C(C(CC(C2)C1C(C)(C)C)(C4=C(C=C5C(=C4)C67CCN8C6C(C=CC8)(C(C(C7N5C)(C(=O)OC)O)C(=O)OC)CC)OC)C(=O)OC)NC9=CC=CC=C39","PYJYEFMMMNTEMJ-AWAOMDLUSA-N",6712255,NA,"PDBC11430","663567","Present",NA,NA
+"11431","15-Thia-8-azoniatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),12(16),13-tetraene;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Thia-8-azoniatetracyclo[8.7.0.02,8.012,16]heptadeca-1(17),2(8),12(16),13-tetraene;trifluoromethanesulfonate",NA,"C1CCC2=[N+](CC1)CC3C2=CC4=C(C3)C=CS4.C(F)(F)(F)S(=O)(=O)[O-]","MVMCIWNQLMSVLE-UHFFFAOYSA-M",397957,NA,"PDBC11431","707030","Present",NA,NA
+"11432","15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCNCCO)C(=O)C4=CC=CC=C4N3C1=O.Cl","FIDLHZKYHQEZLA-UHFFFAOYSA-N",392057,NA,"PDBC11432","691849","Present",NA,NA
+"11433","15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-10-[2-(2-hydroxyethylamino)ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCNCCO)C(=O)C4=C(N3C1=O)C=CC(=C4)OC.Cl","RTCCOPKCKSLMSC-UHFFFAOYSA-N",392063,NA,"PDBC11433","691852","Present",NA,NA
+"11434","15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethyl-methylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethyl-methylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)N(C)CCN(C)C)C(=O)C4=CC=CC=C4N3C1=O","PLNMWNSPPNPJPB-UHFFFAOYSA-N",392571,NA,"PDBC11434","693118","Present",NA,NA
+"11435","15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione",NA,"CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=CC=CC=C4C2=O)CCN(C)C","ARUURMIALVSXPW-UHFFFAOYSA-N",392570,NA,"PDBC11435","693117","Present",NA,NA
+"11436","15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione",NA,"CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)O)CCN(C)C","LZUSOTZODKLCQV-UHFFFAOYSA-N",392572,NA,"PDBC11436","693119","Present",NA,NA
+"11437","15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione",NA,"CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])CCN(C)C","UAPCXYAZNSSWPA-UHFFFAOYSA-N",394870,NA,"PDBC11437","698959","Present",NA,NA
+"11438","15-[2-(Dimethylamino)ethyl]-10-[3-(dimethylamino)propylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,7H-Pyrimido[5,6,1-de]acridine-1,3(2H),7-trione, 2-[2-...",NA,"CN(C)CCCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=CC=CC=C4C2=O)CCN(C)C.Cl","ZMPOWLUTCWEVFZ-UHFFFAOYSA-N",390163,NA,"PDBC11438","687308","Present",NA,NA
+"11439","15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-hydroxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-hydroxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=C(C5=O)C=C(C=C7)O)CCN(C)C)C(=O)C8=C(N3C1=O)C=CC(=C8)O","TYSQOYAQKRRQCQ-UHFFFAOYSA-N",399641,NA,"PDBC11439","710559","Present",NA,NA
+"11440","15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-methoxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-methoxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=C(C5=O)C=C(C=C7)OC)CCN(C)C)C(=O)C8=C(N3C1=O)C=CC(=C8)OC","SIPTZEGMNNDWNF-UHFFFAOYSA-N",399639,NA,"PDBC11440","710557","Present",NA,NA
+"11441","15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-nitro-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-5-nitro-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-5-nitro-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]pr",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=C(C5=O)C=C(C=C7)[N+](=O)[O-])CCN(C)C)C(=O)C8=C(N3C1=O)C=CC(=C8)[N+](=O)[O-]","BKKYJBOYEAHDGS-UHFFFAOYSA-N",399640,NA,"PDBC11441","710558","Present",NA,NA
+"11442","15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaene-8,14,16-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-10-[3-[3-[[15-[2-(dimethylamino)ethyl]-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCCN(C)CCCNC4=C5C6=C(C=C4)C(=O)N(C(=O)N6C7=CC=CC=C7C5=O)CCN(C)C)C(=O)C8=CC=CC=C8N3C1=O","FRNLBJJQLDHPJL-UHFFFAOYSA-N",399638,NA,"PDBC11442","710556","Present",NA,NA
+"11443","15-[2-(Dimethylamino)ethyl]-8-[2-(dimethylamino)ethylimino]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-(Dimethylamino)ethyl]-8-[2-(dimethylamino)ethylimino]-14-hydroxy-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaen-16-one;hydrochloride",NA,"CN(C)CCN=C1C2=CC=CC=C2C3=C4C1=CC=CC4=C(N(C3=O)CCN(C)C)O.Cl","MOWVDIYOEVZNOE-UHFFFAOYSA-N",361124,NA,"PDBC11443","623953","Present",NA,NA
+"11444","15-[2-[2-(14,16-Dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)ethylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[2-[2-(14,16-Dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)ethylamino]ethyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-d",NA,"C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)N(C4=O)CCNCCN5C(=O)C6=CC=CC7=CC8=CC=CC=C8C(=C76)C5=O.Cl","VBLNEQHSYLFNGC-UHFFFAOYSA-N",361122,NA,"PDBC11444","623951","Present",NA,NA
+"11445","15-[3-[2-[3-(14,16-Dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-15-yl)propylamino]ethylamino]propyl]-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaene-14,16-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Dibenz[de,h]isoquinoline-1,3-dione, 2,2'- [(1,2-ethan...",NA,"C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)N(C4=O)CCCNCCNCCCN5C(=O)C6=CC=CC7=CC8=CC=CC=C8C(=C76)C5=O.Cl","VCOMKMHCWKRIDJ-UHFFFAOYSA-N",357254,NA,"PDBC11445","615441","Present",NA,NA
+"11446","15-beta-benzoyloxy,16beta-isovaleroyloxypleurogenin 3bet...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-beta-benzoyloxy,16beta-isovaleroyloxypleurogenin 3bet...",NA,"CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C(C4)CCC6(C5CCC7(C6(C(C(C7C(=O)C)OC(=O)CC(C)C)OC(=O)C8=CC=CC=C8)O)C)O)C)C)C)O)OC)O","AQTZURYIISQSLU-NQLOPNLQSA-N",404164,NA,"PDBC11446","720315","Present",NA,NA
+"11447","15Deoxy-delta-12,14-PGJ2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15deoxy-delta-12,14-PGJ2",NA,"CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O","VHRUMKCAEVRUBK-WKELIDJCSA-N",5283035,NA,"PDBC11447","720093","Present",NA,NA
+"11448","15H-Pyrrolo[2,15,4,7,10,20]dioxatetraaza cyclotricosine, cyclic peptide deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leucine, N-[1-[N-[4-[[3-hydroxy-4-[[N-[N-[1-(2-hydroxy- ...",NA,"CCCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC(C)C)C)CC(C)C)C)C(C)C)O","LCVGRYVBHHRAEK-SCESEMTNSA-N",389482,NA,"PDBC11448","685703","Present",NA,NA
+"11449","16,17-Dibromo-3,6,9,12-tetrakis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.4.0]octadeca-1(18),14,16-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16,17-Dibromo-3,6,9,12-tetrakis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.4.0]octadeca-1(18),14,16-triene",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC3=CC(=C(C=C3CN(CC2)S(=O)(=O)C4=CC=C(C=C4)C)Br)Br)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C","LHMYIANARQEXHS-UHFFFAOYSA-N",384241,NA,"PDBC11449","673656","Present",NA,NA
+"11450","16,17-Dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16,17-Dimethoxy-14-oxo-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene-21-carbaldehyde",NA,"COC1=C(C2=C(C=C1)C(=C3C4=CC5=C(C=C4CCN3C2=O)OCO5)C=O)OC","YISKKWOKBIOAPF-UHFFFAOYSA-N",397862,NA,"PDBC11450","706485","Present",NA,NA
+"11451","16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[12.7.0.02,10.04,8.015,20]henicosa-1(14),2,4(8),9,15(20),16,18-heptaen-21-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16,17-Dimethoxy-5,7-dioxa-13-azapentacyclo[12.7.0.02,10.04,8.015,20]henicosa-1(14),2,4(8),9,15(20),16,18-heptaen-21-one",NA,"COC1=C(C2=C(C=C1)C(=O)C3=C2NCCC4=CC5=C(C=C43)OCO5)OC","MKHRAWDXJGOQHG-UHFFFAOYSA-N",337866,NA,"PDBC11451","357757","Present",NA,NA
+"11452","16,17-tetra-dehydro-14,15-dihydro-spiroiridal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16,17-tetra-dehydro-14,15-dihydro-spiroiridal",NA,"CC(=CCCC(=CC=CC(=C)C1CCC2(C1O)C(C(=C(C)C=O)CCC2(C)O)CCCO)COC(=O)C)C","KPFIRSWIEJGVNZ-DDKMFYJYSA-N",9893161,NA,"PDBC11452","631941","Present",NA,NA
+"11453","16,18-Dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3(11),4,6,8,13,15(19)-heptaen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16,18-Dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3(11),4,6,8,13,15(19)-heptaen-12-one",NA,"C1C2=CC=CC=C2C3=C1C(=O)C4=CC5=C(C=C4N3)OCO5","BLHRMMKOUNPFQL-UHFFFAOYSA-N",374410,NA,"PDBC11453","652120","Present",NA,NA
+"11454","16,27-Dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.210,13.14,30.115,19.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13(36),15,17,19(35),25,27,32-dodecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16,27-Dimethoxy-7,22-dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.210,13.14,30.115,19.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13(36),15,17,19(35),25,27,32-dodecaene",NA,"CN1CCC2=CC3=C4C=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)OC","ZBDGREIBILVVBE-UHFFFAOYSA-N",364105,NA,"PDBC11454","629746","Present",NA,NA
+"11455","16,3,5(10)-Trien-3-ol-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16,16-Dibenzylestra-1,3,5(10)-trien-3-ol-17-one",NA,"CC12CCC3C(C1CC(C2=O)(CC4=CC=CC=C4)CC5=CC=CC=C5)CCC6=C3C=CC(=C6)O","HSQUKOSNLMSMIA-UWVMXDRVSA-N",24206090,NA,"PDBC11455","740030","Present",NA,NA
+"11456","16-(1-aziridinyl)-12,20-dioxopregnan-3-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-(1-aziridinyl)-12,20-dioxopregnan-3-yl acetate",NA,"CC(=O)C1C(CC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)N5CC5","WRCFYFRXAYMSAE-UHFFFAOYSA-N",268745,NA,"PDBC11456","109128","Present",NA,NA
+"11457","16-(3',5'-Trimethoxybenzylidene)-17a-aza-D-homo-4-androsten-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-(3',4',5'-trimethoxybenzylidene)-17a-aza-D-homo-4-and...",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C(=O)N4)C","HBUNJMUOWZSZQA-LFHWRNOPSA-N",5470872,NA,"PDBC11457","706017","Present",NA,NA
+"11458","16-(4-Chlorophenyl)-4,5-dimethyl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-(4-Chlorophenyl)-4,5-dimethyl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=C4CCCC4=C(C3=N2)C#N)C5=CC=C(C=C5)Cl","XJOFSFCZDXBVHP-UHFFFAOYSA-N",403388,NA,"PDBC11458","718189","Present",NA,NA
+"11459","16-(4-Chlorophenyl)-4-methyl-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-(4-Chlorophenyl)-4-methyl-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene",NA,"CC1=NN2C=NC3=C(C2=N1)C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl","UTRGJSHDHNVFBM-UHFFFAOYSA-N",391833,NA,"PDBC11459","691420","Present",NA,NA
+"11460","16-(4-Dimethylaminobenzylidene)-17-oxo-5-androsten-3beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-(4-Dimethylaminobenzylidene)-17-oxo-5-androsten-3.bet...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)N(C)C)C4=O)C)O","KHWMMNOVUASODC-ALOBBOQISA-N",5471008,NA,"PDBC11460","707181","Present",NA,NA
+"11461","16-(4-Dimethylaminobenzylidene)-3beta-pyrrolidino-5-androsten-17beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC707185",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)N(C)C)C4O)C)N6CCCC6","ZELSPCDDUZGBRT-LGMIRORYSA-N",5471012,NA,"PDBC11461","707185","Present",NA,NA
+"11462","16-(4-Dimethylaminobenzylidene)-3beta-pyrrolidino-5-androsten-17beta-ylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC707186",NA,"CC(=O)OC1C(=CC2=CC=C(C=C2)N(C)C)CC3C1(CCC4C3CC=C5C4(CCC(C5)N6CCCC6)C)C","DQGRKGXQBAWZMX-ZSSAHIQMSA-N",5471013,NA,"PDBC11462","707186","Present",NA,NA
+"11463","16-(4-Dimethylaminobenzylidene)-4-androsten-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-(4-Dimethylaminobenzylidene)-4-androsten-3,17-dione",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)N(C)C)C4=O)C","IFYUEZMOSVAMNO-YNTIHOHFSA-N",5471011,NA,"PDBC11463","707184","Present",NA,NA
+"11464","16-(4-Dimethylaminobenzylidene)-5-androsten-3beta,17beta-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC707182",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)N(C)C)C4O)C)O","SMISHLGYQVLLJK-HFVHYTQPSA-N",5471009,NA,"PDBC11464","707182","Present",NA,NA
+"11465","16-(4-Dimethylaminobenzylidene)-5-androsten-3beta,17beta-diyldiacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC707183",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=C(C=C5)N(C)C)C4OC(=O)C)C)C","YQMXCSADZMRRNC-LECUOJOOSA-N",5471010,NA,"PDBC11465","707183","Present",NA,NA
+"11466","16-(Acetyloxy)-3,14-dihydroxycard-20(22)-enolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"olendrigenin",NA,"CC(=O)OC1CC2(C3CCC4CC(CCC4(C3CCC2(C1C5=CC(=O)OC5)C)C)O)O","IWCNCUVTGOMGKG-UHFFFAOYSA-N",288101,NA,"PDBC11466","148790","Present",NA,NA
+"11467","16-(Cyclopropylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-(Cyclopropylmethylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid",NA,"C1CC1CNC(=O)C2C(C3C4=CC=CC=C4C2C5=CC=CC=C35)C(=O)O","OYBPSCQGMJVGKI-UHFFFAOYSA-N",435615,NA,"PDBC11467","372770","Present",NA,NA
+"11468","16-Chloro-12-oxa-20-azapentacyclo[11.8.0.02,11.04,9.014,19]henicosa-1(13),2(11),4,6,8,14(19),15,17-octaene-3,10,21-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloronaphtho[2',3':4,5]furo[3,2-c]quinoline-6,7,12(5H...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=C3C(=O)NC5=C4C=C(C=C5)Cl","YAQNUZLIGFNDOW-UHFFFAOYSA-N",155813345,NA,"PDBC11468","791275","Present",NA,NA
+"11469","16-Chloro-20-(3-imidazol-1-ylpropyl)-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(1H-imidazol-1-yl)propyl)-3-chloro-5H-[1,3]dioxolo[...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4CCCN6C=CN=C6","VYUYFJRNLYJOIS-UHFFFAOYSA-N",122471484,NA,"PDBC11469","780892","Present",NA,NA
+"11470","16-Chloro-20-[(2S)-2,3-dihydroxypropyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-3-chloro-6-(2,3-dihydroxypropyl)-5H-[1,3]dioxolo[4',...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4CC(CO)O","LAJPBLOIENLNAS-JTQLQIEISA-N",122660202,NA,"PDBC11470","780893","Present",NA,NA
+"11471","16-Chloro-20-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-6-((2S,3R,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4CC(C(C(CO)O)O)O","YWBXGXQCSWWXJB-PDSXEYIOSA-N",155810101,NA,"PDBC11471","781520","Present",NA,NA
+"11472","16-Chloro-20-[3-(2-hydroxyethylamino)propyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-6-(3-((2-hydroxyethyl)amino)propyl)-5H-[1,3]dio...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)Cl)C(=O)N4CCCNCCO","UWXUPGPYKSOJJG-UHFFFAOYSA-N",122484906,NA,"PDBC11472","781521","Present",NA,NA
+"11473","16-Chloro-4,5-dimethyl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Chloro-4,5-dimethyl-1,8-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-2(7),3,5,8,10,15-hexaene-10-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=C4CCCC4=C(C3=N2)C#N)Cl","IJVMZGKAWOBCME-UHFFFAOYSA-N",395405,NA,"PDBC11473","699941","Present",NA,NA
+"11474","16-Cyano-3alpha-(5-methyl-1,3,4-oxadiazol-2-yl)-13,16-seco-17-norandrost-5-en-3beta-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.beta.-Acetoxy-13.alpha.-(5'-methyl-1',3',4'-oxadiazol-...",NA,"CC1=NN=C(O1)C2(CCC3C(C2CC#N)CC=C4C3(CCC(C4)OC(=O)C)C)C","NDWYZSPZBODTEA-QPJCPEQFSA-N",388019,NA,"PDBC11474","682444","Present",NA,NA
+"11475","16-Epi-dihydro-solasodine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Epi-dihydro-solasodine",NA,"CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)O)C)C)O","IRRHFODGOMSPEE-UHFFFAOYSA-N",312781,NA,"PDBC11475","224250","Present",NA,NA
+"11476","16-Fluoro-20-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-6-((2S,3R,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)F)C(=O)N4CC(C(C(CO)O)O)O","FMGXTLBJBMKAAM-PDSXEYIOSA-N",122660203,NA,"PDBC11476","781519","Present",NA,NA
+"11477","16-Fluoro-20-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-6-((2S,3S,4R)-2,3,4,5-tetrahydroxypentyl)-5H-[1...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)F)C(=O)N4CC(C(C(CO)O)O)O","FMGXTLBJBMKAAM-ZSDSOXJFSA-N",155813555,NA,"PDBC11477","781522","Present",NA,NA
+"11478","16-Hydroxy stearic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMFA02000134",NA,"CCC(CCCCCCCCCCCCCCC(=O)O)O","IZAIPALZJVSRHT-UHFFFAOYSA-N",361943,NA,"PDBC11478","625428","Present",NA,NA
+"11479","16-Hydroxystrychnidin-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudostrychnine",NA,"C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2(C61C7=CC=CC=C75)O","HCCFPODVEOBUMM-UHFFFAOYSA-N",264627,NA,"PDBC11479","99792","Present",NA,NA
+"11480","16-Methoxy-4-(4-methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Methoxy-4-(4-methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OC)C(=O)N(C3=O)C6=CC=C(C=C6)OC","UGUWXTYIIXLQET-UHFFFAOYSA-N",390916,NA,"PDBC11480","689137","Present",NA,NA
+"11481","16-Methyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Methyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-ol",NA,"CC1=C2C=CC=C2C3=C(O1)C4=CC=CC=C4C(=C3)O","RCWARJMRGAIHDY-UHFFFAOYSA-N",403548,NA,"PDBC11481","718568","Present",NA,NA
+"11482","16-Oxido-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[b]quinoxalin-5-ium 5-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Oxido-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[b]quinoxalin-5-ium 5-oxide",NA,"C1CCCCCC2=C(CCCC1)N(C3=CC=CC=C3[N+]2=O)[O-]","JHHMCBWFKYQJPB-UHFFFAOYSA-N",358498,NA,"PDBC11482","618506","Present",NA,NA
+"11483","16-Oximino-17-oxo-5-beta-androstano[3,2',5'-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Oximino-17-oxo-5-.beta.-androstano[3,4-c]-1',2',5'- o...",NA,"CC12CCC3=NON=C3C1CCC4C2CCC5(C4CC(=NO)C5=O)C","KINBHFUHBUNAOF-QNGHJKLGSA-N",54608735,NA,"PDBC11483","631059","Present",NA,NA
+"11484","16-Oxo-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Oxo-2-oxa-15-azatetracyclo[7.5.3.01,10.03,8]heptadeca-3,5,7-triene-17-carbonitrile",NA,"C1CCC23C(C1)C(C(C(=O)N2)C#N)C4=CC=CC=C4O3","QPSGPLZSTSIZEV-UHFFFAOYSA-N",397582,NA,"PDBC11484","705902","Present",NA,NA
+"11485","16-Oxo-3,6,9,12,15-pentaoxahentriacont-1-yl palmitate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Oxo-3,6,9,12,15-pentaoxahentriacont-1-yl palmitate",NA,"CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCC","RSZONGZHNRDXMT-UHFFFAOYSA-N",361958,NA,"PDBC11485","625441","Present",NA,NA
+"11486","16-Oxo-3,6,9,12,15-pentaoxaheptacos-1-yl laurate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Oxo-3,6,9,12,15-pentaoxaheptacos-1-yl laurate",NA,"CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCC","WTVHSVDFIHETFS-UHFFFAOYSA-N",361957,NA,"PDBC11486","625440","Present",NA,NA
+"11487","16-Phenyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Phenyl-14,15,18-triazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2,4,6,12(17),15-hexaen-13-one",NA,"C1CC2=CC=CC=C2C3=C(C1)C4=C(N3)C(=NNC4=O)C5=CC=CC=C5","GBOFHHAWWBNKQB-UHFFFAOYSA-N",135426791,NA,"PDBC11487","718583","Present",NA,NA
+"11488","16-Phenyl-3,6,9,12,15-pentaoxahexadec-1-yl hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Phenyl-3,6,9,12,15-pentaoxahexadec-1-yl hexanoate",NA,"CCCCCC(=O)OCCOCCOCCOCCOCCOCC1=CC=CC=C1","VRCRCBWHBOWEMU-UHFFFAOYSA-N",361962,NA,"PDBC11488","625445","Present",NA,NA
+"11489","16-Phenyl-3,6,9,12,15-pentaoxahexadec-1-yl laurate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Phenyl-3,6,9,12,15-pentaoxahexadec-1-yl laurate",NA,"CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCC1=CC=CC=C1","FEPJXVPONQORIK-UHFFFAOYSA-N",361956,NA,"PDBC11489","625439","Present",NA,NA
+"11490","16-[2-(Dimethylamino)ethyl]-5-methoxy-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[2-(Dimethylamino)ethyl]-5-methoxy-10-(2-piperidin-1-ylethyl)-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2(7),3,5,8,11(19),12,14(18)-heptaene-15,17-dione;hydrochloride",NA,"CN(C)CCN1C(=O)C2=C3C4=C(C=C2)N(N=C4C5=C(N3C1=O)C=CC(=C5)OC)CCN6CCCCC6.Cl","PSYXROSCXSGMJC-UHFFFAOYSA-N",404463,NA,"PDBC11490","720688","Present",NA,NA
+"11491","16-[3-(2-Morpholin-1-yl ethoxy)benzylidene]-3a-pyrrolidino-5-androsten-17a-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-3a-pyrrolidi...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=CC=C5)OCCN6CCOCC6)C4O)C)N7CCCC7","RITQJTOQIMRAIT-XDFFISRTSA-N",24205794,NA,"PDBC11491","736754","Present",NA,NA
+"11492","16-[3-(2-Morpholin-1-yl ethoxy)benzylidene]-4-androsten-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[3-(2-morpholin-1-yl ethoxy)benzylidene]-4-androsten-...",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=CC=C5)OCCN6CCOCC6)C4=O)C","GKWITWBLAGXYRF-VESJMLDVSA-N",24205793,NA,"PDBC11492","736753","Present",NA,NA
+"11493","16-[3-(4-Methylpiperazin-1-yl)propyl]-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[3-(4-Methylpiperazin-1-yl)propyl]-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-10-one",NA,"CN1CCN(CC1)CCCN2C3=C(C(=O)N4C2=C(N=N4)C5=CC=CC=C5)SC6=C3C=CC=N6","VCHXEXBDVDSHGI-UHFFFAOYSA-N",60148351,NA,"PDBC11493","754173","Present",NA,NA
+"11494","16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-17-oxo-5-androsten-3a-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-17...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCN6CCCCC6)OC)C4=O)C)C","HIJQUAJKHDZCTK-MYRNEKRJSA-N",24203176,NA,"PDBC11494","727082","Present",NA,NA
+"11495","16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-3a-pyrrolidino-5-androsten-17a-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-3a...",NA,"CC(=O)OC1C(=CC2=CC(=C(C=C2)OCCN3CCCCC3)OC)CC4C1(CCC5C4CC=C6C5(CCC(C6)N7CCCC7)C)C","XJJOZTYKEFGELH-MCSFNHJBSA-N",24203175,NA,"PDBC11495","727081","Present",NA,NA
+"11496","16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-4-androsten-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[3-Methoxy-4-(2-piperidin-1-yl ethoxy)benzylidene]-4-...",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCN6CCCCC6)OC)C4=O)C","SSCFTWZELHRKAG-BOUWGCRBSA-N",24203173,NA,"PDBC11496","727079","Present",NA,NA
+"11497","16-[3-Methoxy-4-(2-pyrrolidin-1-yl ethoxy)benzylidene]-4-androsten-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[3-Methoxy-4-(2- pyrrolidin-1-yl ethoxy)benzylidene]-...",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCN6CCCC6)OC)C4=O)C","ANEFYXNGVXDHDA-YINTVVNPSA-N",24203183,NA,"PDBC11497","727089","Present",NA,NA
+"11498","16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-17-oxo-5-andros ten-3b-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-17-oxo-5-an...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=CC=C5)OCCCN6C=CN=C6)C4=O)C)O","OJNHHIHBTHPWFG-CSQSKVLJSA-N",24205802,NA,"PDBC11498","736762","Present",NA,NA
+"11499","16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-3b-pyrrolidino-5-androsten-3b,17b-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[3-{(3-Imidazol-1-yl)propoxy}benzylidene]-3b-pyrrolid...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=CC=C5)OCCCN6C=CN=C6)C4O)C)O","JHJDBJDQRPDOBI-HXCWGJBXSA-N",24205804,NA,"PDBC11499","736764","Present",NA,NA
+"11500","16-[4-(2-Diethylaminoethoxy)3-methoxy benzylidene]-4-androstene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[4-(2-diethylaminoethoxy)3-methoxy benzylidene]-4-and...",NA,"CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CCC5=CC(=O)CCC5(C4CCC3(C2=O)C)C)OC","HOZVFMYVRZZOLE-YINTVVNPSA-N",24203178,NA,"PDBC11500","727084","Present",NA,NA
+"11501","16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-3b-py rrolidino-5-androsten-17b-YL acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-3...",NA,"CC(=O)OC1C(=CC2=CC(=C(C=C2)OCCCN3C=CN=C3)OC)CC4C1(CCC5C4CC=C6C5(CCC(C6)N7CCCC7)C)C","ZKZZQKXLQROTGA-DYFGQVMESA-N",24204019,NA,"PDBC11501","730460","Present",NA,NA
+"11502","16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-4-and rostene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-[4-{(3-Imidazol-1-yl)propoxy}-3-methoxybenzylidene]-4...",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4=O)C","OINGZYUTNWDDFW-SYNRVTCLSA-N",16051320,NA,"PDBC11502","728324","Present",NA,NA
+"11503","16-base oligonucleotide with sequence GTTAGGGTTAGGGTTA, ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-base oligonucleotide with sequence GTTAGGGTTAGGGTTA, ...",NA,NA,NA,NA,NA,"PDBC11503","742140","Present",NA,NA
+"11504","16.beta-Piperidino-3beta-pyrrolidino-5-androsten-17beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16.beta-piperidino-3.beta.-pyrrolidino-5-androsten-17.be...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5CCCCC5)C)N6CCCC6","ZTMOYBLCVNZQCK-JWLDDNKLSA-N",386238,NA,"PDBC11504","677956","Present",NA,NA
+"11505","16beta-Morpholine-3beta-pyrrolidino-5-androsten-17beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16.beta.-Morpholine-3.beta.-pyrrolidino-5-androsten-17.b...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5CCOCC5)C)N6CCCC6","ZFHSASAJJFJGCN-XTZJLTRESA-N",386236,NA,"PDBC11505","677954","Present",NA,NA
+"11506","16beta-Morpholino-3beta-pyrrolidino-5-androsten-17beta-ol-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16.beta.-Morpholino-3.beta.-pyrrolidino-5-androsten-17.b...",NA,"CC(=O)OC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)N5CCCC5)C)C)N6CCOCC6","YKZMKGHWQZKTFR-IPQAMJNRSA-N",386237,NA,"PDBC11506","677955","Present",NA,NA
+"11507","16beta-Morpholino-5-androstene-3beta,17beta-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16.beta.-Morpholino-5-androstene-3.beta.,17.beta.-diol",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5CCOCC5)C)O","JLCVYEPFHBMBFB-QGZPSTLZSA-N",386234,NA,"PDBC11507","677952","Present",NA,NA
+"11508","16beta-Morpholino-5-androstene-3beta,17beta-diol diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16.beta.-Morpholino-5-androstene-3.beta.,17.beta.-diol d...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4OC(=O)C)N5CCOCC5)C)C","ZKFREPFWMIRTGZ-XTZJLTRESA-N",386235,NA,"PDBC11508","677953","Present",NA,NA
+"11509","16beta-N-Methylpiperazino-3beta-pyrrolidino-5-androsten-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677961",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5CCN(CC5)C)C)N6CCCC6","OXHRDUFEBLJRIY-JWLDDNKLSA-N",386243,NA,"PDBC11509","677961","Present",NA,NA
+"11510","16beta-N-Methylpiperazino-3beta-pyrrolidino-5-androstene-17beta-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677962",NA,"CC(=O)OC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)N5CCCC5)C)C)N6CCN(CC6)C","FWYIUNGXODKFCU-HYAUSYAKSA-N",386244,NA,"PDBC11510","677962","Present",NA,NA
+"11511","16beta-N-Methylpiperazino-5-androstene-3beta,17beta-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677959",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C4O)N5CCN(CC5)C)C)O","RKWUYOJWRZWYOD-XBUBOJNLSA-N",386241,NA,"PDBC11511","677959","Present",NA,NA
+"11512","16beta-N-Methylpiperazino-5-androstene-3beta,17beta-diol-diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677960",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4OC(=O)C)N5CCN(CC5)C)C)C","MLYWNJCQFJMIOA-JWLDDNKLSA-N",386242,NA,"PDBC11512","677960","Present",NA,NA
+"11513","16beta-Piperidino-3beta-pyrrolidino-5-androsten-17beta-ol-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16.beta.-piperidino-3.beta.-pyrrolidino-5-androsten-17.b...",NA,"CC(=O)OC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)N5CCCC5)C)C)N6CCCCC6","ZMYMVZQANNBEGQ-HYAUSYAKSA-N",386239,NA,"PDBC11513","677957","Present",NA,NA
+"11514","16beta-Pyrrolidino-5-androstene-3beta,17beta-diol-diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16.beta.-pyrrolidino-5-androstene-3.beta.,17.beta.-diol-...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4OC(=O)C)N5CCCC5)C)C","ARKXPMJVWUONKD-XTZJLTRESA-N",386245,NA,"PDBC11514","677963","Present",NA,NA
+"11515","16xi-Cyano-17a-aza-D-homo-4-androsten-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16.xi.-Cyano-17a-aza-D-homo-4-androsten-3,17-dione",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC(C(=O)N4)C#N)C","PXJJMZRPGBMTIG-WADKIMPLSA-N",363165,NA,"PDBC11515","627766","Present",NA,NA
+"11516","16xi-Cyano-3beta-hydroxy-17a-aza-D-homo-5-androsten-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16.xi.-Cyano-3.beta.-hydroxy-17a-aza-D-homo-5-androsten-...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C(=O)N4)C#N)C)O","VPEPWDNMAQXTSB-OOGQBMPHSA-N",363164,NA,"PDBC11516","627765","Present",NA,NA
+"11517","17 [3-Furyl]-4,8-trimethyl 14-epoxy, 3,16-dioxo androst-1 en-7yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17 [3-furyl]-4,4,8-trimethyl 14 -epoxy, 3,16-dioxo andro...",NA,"CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4C(CC3)(C(C(=O)CO4)C5=COC=C5)C)C)C)(C)C","PTCRURKNRJPXBV-MBEPTNBMSA-N",24205534,NA,"PDBC11517","736114","Present",NA,NA
+"11518","17,17-Dimethyl-17-azoniatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pavinane, methiodide, (.+-.)-",NA,"C[N+]1(C2CC3=CC=CC=C3C1CC4=CC=CC=C24)C.[I-]","IPMKFRYOCGBFEW-UHFFFAOYSA-M",24193184,NA,"PDBC11518","148831","Present",NA,NA
+"11519","17,18-Dimethoxy mycalamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17,18-Dimethoxy mycalamide A",NA,"CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(COC)OC)(C)C)OC)OCO2)O)OC)C","ZKLATNGQEGXGER-GXDHPWFCSA-N",6711421,NA,"PDBC11519","626170","Present",NA,NA
+"11520","17,20,23-Trioxa-33-azatricyclo[12.11.7.127,31]tritriaconta-27(33),28,30-triene-2,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17,20,23-Trioxa-33-azatricyclo[12.11.7.127,31]tritriaconta-27(33),28,30-triene-2,13-dione",NA,"C1CCCCCC(=O)C2CCOCCOCCOCCC(CC3=NC(=CC=C3)C2)C(=O)CCCC1","ZJMTYCCSDMLNTG-UHFFFAOYSA-N",370640,NA,"PDBC11520","643982","Present",NA,NA
+"11521","17,20-Dioxa-1,14,30-triazatricyclo[12.8.7.124,28]triaconta-24(30),25,27-triene-2,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17,20-Dioxa-1,14,30-triazatricyclo[12.8.7.124,28]triaconta-24(30),25,27-triene-2,13-dione",NA,"C1CCCCCC(=O)N2CCOCCOCCN(CC3=NC(=CC=C3)C2)C(=O)CCCC1","GZXLLSQUHKUXQI-UHFFFAOYSA-N",370639,NA,"PDBC11521","643981","Present",NA,NA
+"11522","17,22,64,68-Tetrakis-(4-methylphenyl)sulfonyl-3,6,9,30,33,36,50,53,56,76,79,82-dodecaoxa-17,22,64,68-tetrazaundecacyclo[46.45.1.138,84.02,90.010,15.024,29.037,42.044,49.057,62.070,75.083,88]pentanonaconta-1(93),2(90),10,12,14,24,26,28,37,39,41,44,46,48,57,59,61,70,72,74,83(88),84,86,91-tetracosaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17,22,64,68-Tetrakis-(4-methylphenyl)sulfonyl-3,6,9,30,33,36,50,53,56,76,79,82-dodecaoxa-17,22,64,68-tetrazaundecacyclo[46.45.1.138,84.02,90.010,15.024,29.037,42.044,49.057,62.070,75.083,88]pentanonac",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCCCN(CC3=CC=CC=C3OCCOCCOC4=C5CC6=CC=CC7=C6OCCOCCOC8=CC=CC=C8CN(CCCN(CC9=CC=CC=C9OCCOCCOC1=C(CC3=CC=CC(=C3OCCOCCOC3=CC=CC=C3C2)C7)C=CC=C1CC4=CC=C5)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C","FCEBCMQYFZQGTH-UHFFFAOYSA-N",16129820,NA,"PDBC11522","683343","Present",NA,NA
+"11523","17-(1,3-Dihydroxy-2-methylpropan-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-(1,3-Dihydroxy-2-methylpropan-2-yl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,"CC(CO)(CO)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35","VODJPMSJPOSWAP-UHFFFAOYSA-N",380636,NA,"PDBC11523","666312","Present",NA,NA
+"11524","17-(2-Amino-1,3-thiazol-4-yl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;4-bromobenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-(2-Amino-1,3-thiazol-4-yl)-11-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one;4-bromobenzenesulfonic acid",NA,"CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C5=CSC(=N5)N)C)O.C1=CC(=CC=C1S(=O)(=O)O)Br","RZIOOCVUORSHLI-UHFFFAOYSA-N",261361,NA,"PDBC11524","93355","Present",NA,NA
+"11525","17-(2-Aminoethyl)-15-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-(2-Aminoethyl)-15-methyl-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,"CC12C(C3C4=CC=CC=C4C1C5=CC=CC=C35)C(=O)N(C2=O)CCN","BWXOIMSWNBJEFJ-UHFFFAOYSA-N",363567,NA,"PDBC11525","628539","Present",NA,NA
+"11526","17-(4-Hydroxy-3,5-dimethoxyphenyl)-11-(2-hydroxyethyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-(4-Hydroxy-3,5-dimethoxyphenyl)-11-(2-hydroxyethyl)-4,7,14-trioxa-11-azatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12(16)-tetraen-15-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCCO4","XRWCXPWCGIPMDX-UHFFFAOYSA-N",54579202,NA,"PDBC11526","751503","Present",NA,NA
+"11527","17-(Benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-(Benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene",NA,"C1=CC=C(C=C1)S(=O)(=O)N2C3=C(C4=C2N=CC=C4)N=C5C(=C3)C=CC=N5","BRLBWHVCSDWXMH-UHFFFAOYSA-N",387556,NA,"PDBC11527","681479","Present",NA,NA
+"11528","17-(O-(2-Pyrrolidinoethyl)]oximino-5-androsten-3beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-(O-(2-Pyrrolidinoethyl)]oximino-5-androsten-3.beta.-ol",NA,"CC12CCC3C(C1CCC2=NOCCN4CCCC4)CC=C5C3(CCC(C5)O)C","NKCAZFVLQNHPQH-CGZUMTCDSA-N",9571964,NA,"PDBC11528","680093","Present",NA,NA
+"11529","17-(O-Diethylaminoethyl)oximino-3-methoxy-1,5(10)-estratriene hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-(O-Diethylaminoethyl)oximino-3-methoxy-1,3,5(10)- est...",NA,"CCN(CC)CCON=C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC)C.Cl","VDPBJDKTBKVPPL-JPTFXBEYSA-N",9571965,NA,"PDBC11529","680094","Present",NA,NA
+"11530","17-(O-Diethylaminoethyl)oximino-5-androsten-3beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-(O-Diethylaminoethyl)oximino-5-androsten-3.beta.-ol",NA,"CCN(CC)CCON=C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C","UXHUPNIHEPMJGP-CGZUMTCDSA-N",9571963,NA,"PDBC11530","680092","Present",NA,NA
+"11531","17-(Pyridin-3-yl)androsta-5,16-dien-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Abirateron",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C)O","GZOSMCIZMLWJML-UHFFFAOYSA-N",21879648,NA,"PDBC11531","741232","Present",NA,NA
+"11532","17-Acetyl-15-benzyl-9,14-dihydroxy-16-methyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Acetyl-15-benzyl-9,14-dihydroxy-16-methyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione",NA,"CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1CC5=CC=CC=C5)O)C(=O)C","GBBCBCPUGHROAN-UHFFFAOYSA-N",24203201,NA,"PDBC11532","727113","Present",NA,NA
+"11533","17-Acetyl-9,14-dihydroxy-15,16-dimethyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Acetyl-9,14-dihydroxy-15,16-dimethyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione",NA,"CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1C)O)C(=O)C","HTNWZJFQMCNNFU-UHFFFAOYSA-N",24203340,NA,"PDBC11533","727573","Present",NA,NA
+"11534","17-Acetyl-9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Acetyl-9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione",NA,"CC1=CC=C(C=C1)N2C(=C(C34C2(C=CC(=O)C3=C(C5=CC=CC=C5C4=O)O)O)C(=O)C)C","FCALTQCBAAOVOL-UHFFFAOYSA-N",405612,NA,"PDBC11534","722982","Present",NA,NA
+"11535","17-Acetyl-9,14-dihydroxy-16-methyl-15-phenyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Acetyl-9,14-dihydroxy-16-methyl-15-phenyl-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-2,11-dione",NA,"CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1C5=CC=CC=C5)O)C(=O)C","NEOGUPBLFPVJRQ-UHFFFAOYSA-N",405611,NA,"PDBC11535","722981","Present",NA,NA
+"11536","17-Amino-3-methoxy-17-aza-1,5(10)-estratriene-16,17a-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Amino-3-methoxy-17-aza-1,3,5(10)-estratriene-16,17a-d...",NA,"CC12CCC3C(C1CC(=O)N(C2=O)N)CCC4=C3C=CC(=C4)OC","KAGWXCAUSLFFEO-DXCLHELWSA-N",375744,NA,"PDBC11536","655766","Present",NA,NA
+"11537","17-Aminodemethoxygeldanamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC255109",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)N)C)OC)OC(=O)N)C)C)O)OC","XYFFWTYOFPSZRM-FFFKWXGKSA-N",54607189,NA,"PDBC11537","255109","Present",NA,NA
+"11538","17-Aza-D-homo-5beta-androstano[3,2',5'-oxadiazole-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Aza-D-homo-5.beta.-androstano[3,4-c]-1',2',5'- oxadia...",NA,"CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC(=O)N5)C","YEHQORIKHMVXGR-AIAOSMENSA-N",364576,NA,"PDBC11538","631063","Present",NA,NA
+"11539","17-Benzyl-8-hydroxy-4,5,13,15-tetramethyl-3,6,13,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Benzyl-8-hydroxy-4,5,13,15-tetramethyl-3,6,13,15,17-pentazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,5,7,9,11(16)-hexaene-12,14-dione",NA,"CC1=NC2=C(C=C3C4=C(N(C(=O)N(C4=O)C)C)N(C3=C2N=C1C)CC5=CC=CC=C5)O","XSXGYJOLRYBIJR-UHFFFAOYSA-N",135426816,NA,"PDBC11539","720175","Present",NA,NA
+"11540","17-Bromo-13,15-dimethoxy-7-methyl-3,6,10-trithiatricyclo[10.2.2.15,8]heptadeca-1(15),5(17),7,12(16),13-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Bromo-13,15-dimethoxy-7-methyl-3,6,10-trithiatricyclo[10.2.2.15,8]heptadeca-1(15),5(17),7,12(16),13-pentaene",NA,"CC1=C2CSCC3=CC(=C(CSCC(=C2Br)S1)C=C3OC)OC","SZRWPRLKDAHBTO-UHFFFAOYSA-N",373408,NA,"PDBC11540","649651","Present",NA,NA
+"11541","17-Butyl-3-(2-pyrrolizinoethoxy)-17-aza-D-homoestra-1,3,5(10)-triene-16,17a-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-pyrrolidino] ethoxy-17-butyl-17-aza-1,3,5(10)-estra...",NA,"CCCCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OCCN5CCCC5","JEACMQIPSAMFPH-BCCVMWATSA-N",383426,NA,"PDBC11541","671765","Present",NA,NA
+"11542","17-Demethoxy-17-N-allyamino-geldanamycin 11-(4'-aminobutyrate) hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Demethoxy-17-N-allyamino-geldanamycin 11-(4'-aminobut...",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCCN)OC.Cl","XAZUMYREMJEFLY-PYHLRZMUSA-N",5469101,NA,"PDBC11542","683201","Present",NA,NA
+"11543","17-Demethoxy-17-allylamino geldanamycin-11-[4-(dimethylamino)butyrate]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Demethoxy-17-allylamino geldanamycin-11-[4-(dimethyla...",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCCN(C)C)OC","AECIQLGENYZZDN-ARIHMTBOSA-N",5470131,NA,"PDBC11543","697886","Present",NA,NA
+"11544","17-Desmethylgeldanamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC255104",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=O)C(=C2O)C1)C)OC)OC(=O)N)C)C)O)OC","AFFSZNHAULCEKY-AFGHJBDBSA-N",5358467,NA,"PDBC11544","255104","Present",NA,NA
+"11545","17-Diisopropoxyphosphoryl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Diisopropoxyphosphoryl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene",NA,"CC(C)OP(=O)(C1=CC2=C(C=C1)OCCOCCOCCOCCO2)OC(C)C","PZFSIKBYDICVDN-UHFFFAOYSA-N",376521,NA,"PDBC11545","657480","Present",NA,NA
+"11546","17-Ethyl-4-methoxytetracyclo[8.4.4.01,10.03,8]octadeca-3(8),4,6,12,16-pentaene-2,9,11,14-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Ethyl-4-methoxytetracyclo[8.4.4.01,10.03,8]octadeca-3(8),4,6,12,16-pentaene-2,9,11,14-tetrone",NA,"CCC1=CCC23C(=O)C=CC(=O)C2(C1)C(=O)C4=C(C3=O)C(=CC=C4)OC","QHNGSXZENGBSRH-UHFFFAOYSA-N",383757,NA,"PDBC11546","672199","Present",NA,NA
+"11547","17-Hydroxyjolkinolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-hydroxyjolkinolide A",NA,"CC1(CCCC2(C1CCC34C2C=C5C(=C(C(=O)O5)CO)C3O4)C)C","DIJWCRKTZVUBDY-PHJMNMFVSA-N",6712606,NA,"PDBC11547","700086","Present",NA,NA
+"11548","17-Hydroxyjolkinolide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-hydroxyjolkinolide B",NA,"CC1(CCCC2(C1CCC34C2C5C6(O5)C(=C(C(=O)O6)CO)C3O4)C)C","ORPHDWFMIUUKJM-MCDHERAVSA-N",6712607,NA,"PDBC11548","700088","Present",NA,NA
+"11549","17-Methoxy mycalamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mycalamide b",NA,"CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(CO)OC)(C)C)OC)OCO2)O)OC)C","AAABMNXUOFPYQK-WQRPFLISSA-N",6711419,NA,"PDBC11549","626168","Present",NA,NA
+"11550","17-Methyl-6-methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Methyl-6-methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile",NA,"CN1C2=CC=CC=C2N3C1=C(C4=CN=C(N=C4C3=O)SC)C#N","MENXEHBFMGTXLP-UHFFFAOYSA-N",390690,NA,"PDBC11550","688322","Present",NA,NA
+"11551","17-Methyl-9-phenyl-2,5,17-triaza-8-azoniatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaene;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11H-Pyrazino[1',2':1,2]pyrimido[4,5-b]indol-5-ium, 11-me...",NA,"CN1C2=CC=CC=C2C3=C1N=C4C=NC=C[N+]4=C3C5=CC=CC=C5.[I-]","GYGUFISYIZFLDQ-UHFFFAOYSA-M",405267,NA,"PDBC11551","722419","Present",NA,NA
+"11552","17-O-Acetylacuminolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-O-Acetylacuminolide",NA,"CC(=O)OCC12CCC3C(CCCC3(C1CC(O2)C4=CC(=O)OC4O)C)(C)C","NOFRYDHCCCFKCU-IHBVCYBESA-N",380682,NA,"PDBC11552","666384","Present",NA,NA
+"11553","17-Oxo-16-(3',5'-trimethoxybenzylidene)-17a-aza-D-homo-5-androsten-3beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Oxo-16-(3',4',5'-trimethoxybenzylidene)-17a-aza-D-hom...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C(=O)N4)C)O","IPASNMRJVPIUIS-AIMVHRILSA-N",5470871,NA,"PDBC11553","706016","Present",NA,NA
+"11554","17-Oxo-3-pyrrolidino-16-(3',5'-trimethoxybenzylidene)-3,5-androstadiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-oxo-3-pyrrolidino-16-(3',4',5'-trimethoxybenzylidene)...",NA,"CC12CCC(=CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=O)C)N6CCCC6","IGMOYTAAOAZHOA-UATAJNHUSA-N",5470874,NA,"PDBC11554","706019","Present",NA,NA
+"11555","17-[(3S)-3-Aminopyrrolidin-1-yl]-18-fluoro-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxylic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[(3S)-3-Aminopyrrolidin-1-yl]-18-fluoro-21-oxo-5,15-dioxa-1-azahexacyclo[14.7.1.02,14.04,12.06,11.020,24]tetracosa-2(14),3,6,8,10,12,16(24),17,19,22-decaene-22-carboxylic acid;hydrochloride",NA,"C1CN(CC1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=C6C(=C5)C7=CC=CC=C7O6)F.Cl","HATGBBIJRKGBRW-YDALLXLXSA-N",54611538,NA,"PDBC11555","709849","Present",NA,NA
+"11556","17-[(E)-11-Diisopropoxyphosphorylundec-1-enyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[(E)-11-Di(propan-2-yloxy)phosphorylundec-1-enyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene",NA,"CC(C)OP(=O)(CCCCCCCCCC=CC1=CC2=C(C=C1)OCCOCCOCCOCCO2)OC(C)C","HZYMIPLSFOHNHD-WYMLVPIESA-N",5839465,NA,"PDBC11556","657490","Present",NA,NA
+"11557","17-[(E)-11-Dodecoxyundec-1-enyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[(E)-11-Dodecoxyundec-1-enyl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene",NA,"CCCCCCCCCCCCOCCCCCCCCCC=CC1=CC2=C(C=C1)OCCOCCOCCOCCO2","FCZBWHJGMUABEE-DYTRJAOYSA-N",5901850,NA,"PDBC11557","657489","Present",NA,NA
+"11558","17-[1-[2-(Dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[1-[2-(Dimethylamino)ethylamino]ethyl]-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol",NA,"CC(C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C)NCCN(C)C","OQLPSYJNZRYLOQ-UHFFFAOYSA-N",268993,NA,"PDBC11558","109509","Present",NA,NA
+"11559","17-[2-(Dimethylamino)ethyl]-3,4-dihydroxy-2-methyl-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[N',N'-(dimethylamino)ethyl]-L-olivosyl-AF (2N)",NA,"CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)CCN(C)C)O)O","ZLJSDLKUIBFILV-UHFFFAOYSA-N",155814149,NA,"PDBC11559","782960","Present",NA,NA
+"11560","17-[2-[2-[2-[2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-17-yl(phenyl)phosphoryl]ethoxy]phenoxy]ethyl-phenyl-phosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[2-[2-[2-[2,5,8,11,14-Pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl(phenyl)phosphoryl]ethoxy]phenoxy]ethyl-phenylphosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene",NA,"C1COCCOC2=C(C=C(C=C2)P(=O)(CCOC3=CC=CC=C3OCCP(=O)(C4=CC=CC=C4)C5=CC6=C(C=C5)OCCOCCOCCOCCO6)C7=CC=CC=C7)OCCOCCO1","NQVLIKGROOEJAR-UHFFFAOYSA-N",375039,NA,"PDBC11560","653867","Present",NA,NA
+"11561","17-[O-(2-Piperidinoethyl)]oximo-3-methoxy-1,5(10)-estratriene hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[O-(2-Piperidinoethyl)]oximo-3-methoxy-1,3,5(10)-estr...",NA,"CC12CCC3C(C1CCC2=NOCCN4CCCCC4)CCC5=C3C=CC(=C5)OC.Cl","JTZPHIFIOGLGEO-SXOQFUSSSA-N",9571994,NA,"PDBC11561","683880","Present",NA,NA
+"11562","17-[O-(2-Pyrrolidinoethyl)]oximino-3-methoxy-1,5(10)-estratriene hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[O-(2-pyrrolidinoethyl)]oximino-3-methoxy-1,3,5(10)- ...",NA,"CC12CCC3C(C1CCC2=NOCCN4CCCC4)CCC5=C3C=CC(=C5)OC.Cl","DHCVWBOAEGTZDS-JPTFXBEYSA-N",9571967,NA,"PDBC11562","680095","Present",NA,NA
+"11563","17-[[Dimethyl(oxo)-lambda6-sulfanylidene]amino]-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[[Dimethyl(oxo)-lambda6-sulfanylidene]amino]-15,17,19-triazapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione",NA,"CS(=NN1C(=O)N2C3C4=CC=CC=C4C(N2C1=O)C5=CC=CC=C35)(=O)C","KBUNMOHBXNQQLX-UHFFFAOYSA-N",396799,NA,"PDBC11563","703778","Present",NA,NA
+"11564","17-beta-Hydroxy-17-methyl-5.-alpha.-androstano[2,3-d] pyrazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-.beta.-Hydroxy-17-methyl-5.-alpha.-androstano[2,3-d] ...",NA,"CC12CCC3C(C1CCC2(C)O)CCC4C3(CC5=C(C4=O)NN=C5)C","JIKWZDFWABFBJE-CVGDSEJQSA-N",364585,NA,"PDBC11564","631072","Present",NA,NA
+"11565","17-beta-Hydroxy-5-alpha-androstano[2,3-d]pyrazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-.beta.-Hydroxy-5-.alpha.-androstano[2,3-d]pyrazol-4-one",NA,"CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(C4=O)NN=C5)C","BPEDWBXBKASWAM-IZJGNNBHSA-N",364583,NA,"PDBC11565","631070","Present",NA,NA
+"11566","17-n-Propylamino-geldanamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-n-Propylamino-geldanamycin",NA,"CCCNC1=C2CC(CC(C(C(C=C(C(C(C=CC=C(C(=O)NC(=CC1=O)C2=O)C)OC)OC(=O)N)C)C)O)OC)C","WYFYMWZHGYHGAR-CTPSMGKJSA-N",5472884,NA,"PDBC11566","662199","Present",NA,NA
+"11567","17a-Aza-D-homo-5-alpha-androstano[3,2',5'-oxadiazole-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17a-Aza-D-homo-5-.alpha.-androstano[3,4-c]-1',2',5'- oxa...",NA,"CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC(=O)N5)C","YEHQORIKHMVXGR-SHVKUQBDSA-N",364577,NA,"PDBC11567","631064","Present",NA,NA
+"11568","17a-Aza-D-homo-5-androsteno[17,16-b]quinolin-3beta-ylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17a-Aza-D-homo-5-androsteno[17,16-b]quinolin-3.beta.-yla...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=CC6=CC=CC=C6N=C5N4)C)C","HVLLZGCXBUCKJF-FEBXSPTKSA-N",363171,NA,"PDBC11568","627773","Present",NA,NA
+"11569","17a-Methyl-17a-aza-D-homo-5-alpha-androstano[3,2',5'-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17a-Methyl-17a-aza-D-homo-5-.alpha.-androstano[3,4-c]- 1...",NA,"CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCCN5C)C","AYIZBBPMNRJANA-HJQSIOKASA-N",364581,NA,"PDBC11569","631068","Present",NA,NA
+"11570","17alpha-Aza-D-homo-4-androsteno[17,16-c]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17.alpha.-aza-D-homo-4-androsteno[17,16-c]pyrazol-3-one",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC5=C(N4)NN=C5)C","HLHKREHATSPYJP-CVOYVFRVSA-N",363163,NA,"PDBC11570","627764","Present",NA,NA
+"11571","17alpha-Aza-D-homo-5-androseno[16,17-d]isoxazol-3beta-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17.alpha.-Aza-D-homo-5-androseno[16,17-d]isoxazol-3.beta...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C(N4)ON=C5)C)C","OEKPCRMLGNUUCU-NPXXQDQYSA-N",363156,NA,"PDBC11571","627757","Present",NA,NA
+"11572","17alpha-Aza-D-homo-5-androsteno[17,16-c] pyrazol-3beta-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17.alpha.-Aza-D-homo-5-androsteno[17,16-c] pyrazol-3.bet...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C(N4)NN=C5)C)C","CMWJNGXQGRDRCC-NPXXQDQYSA-N",363157,NA,"PDBC11572","627758","Present",NA,NA
+"11573","17alpha-Hydroxyprogesterone hexanoate;17alpha-Hydroxyprogesterone caproate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydroxyprogesterone caproate (usan)",NA,"CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)C(=O)C","DOMWKUIIPQCAJU-JKPPDDDBSA-N",5702072,NA,"PDBC11573","759612","Present",NA,NA
+"11574","17alpha-Methyl-4-androsteno[3,17-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17.alpha.-Methyl-4-androsteno[3,2-c]isoxaole-4,17-diol",NA,"CC12CCC3C(C1CCC2(C)O)CCC4=C(C5=NOC=C5CC34C)O","QULFQPVZXZYVKS-KPROAIRKSA-N",6711428,NA,"PDBC11574","626410","Present",NA,NA
+"11575","17beta-Acetoxy-2-methoxyestra-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17.beta.-Acetoxy-2-methoxyestra-2,5(10)-dien-1,4-dione",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C(=O)C(=CC4=O)OC)C","HGZPWNBJDLYMLR-JEHFZXSLSA-N",401661,NA,"PDBC11575","715369","Present",NA,NA
+"11576","17beta-Acetoxy-4-androsteno[3,2-c]-isoxazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17.beta.-Acetoxy-4-androsteno[3,2-c]-isoxazol-4-ol",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4=C(C5=NOC=C5CC34C)O)C","DTHAAQPVIGTNAJ-AWUCESLQSA-N",364582,NA,"PDBC11576","631069","Present",NA,NA
+"11577","17beta-Hydroxy-2-methoxyestra-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17.beta.-Hydroxy-2-methoxyestra-2,5(10)-dien-1,4-dione",NA,"CC12CCC3C(C1CCC2O)CCC4=C3C(=O)C(=CC4=O)OC","XVFJSCSFPSFWMV-KYOGJALFSA-N",401660,NA,"PDBC11577","715368","Present",NA,NA
+"11578","17beta-[Bis(2-hydroxyethyl)amino]androst-5-en-3beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC69298",NA,"CC12CCC3C(C1CCC2N(CCO)CCO)CC=C4C3(CCC(C4)O)C","IEQZBQLFRAVFHT-FQJIPJFPSA-N",250208,NA,"PDBC11578","69298","Present",NA,NA
+"11579","18'-Methylspiro[1,3-dioxolane-2,2'-8,18-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraene]-9'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18'-Methylspiro[1,3-dioxolane-2,2'-8,18-diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraene]-9'-one",NA,"CN1C2=CC=CC=C2C3=C1C4(C5CCCCN5C(=O)C3)OCCO4","QWJZPEPCAXQADS-UHFFFAOYSA-N",393327,NA,"PDBC11579","694992","Present",NA,NA
+"11580","18,20-Dioxa-3,11,24-triazahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4,6,8,15,17(21),22-octaen-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18,20-Dioxa-3,11,24-triazahexacyclo[12.10.0.02,11.04,9.015,23.017,21]tetracosa-1(14),2,4,6,8,15,17(21),22-octaen-10-one",NA,"C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC6=C(C=C5N4)OCO6","JXCROARSMNESFK-UHFFFAOYSA-N",378229,NA,"PDBC11580","660032","Present",NA,NA
+"11581","18-(1-Hydroxyethylidene)yohimban-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(18-Hydroxy-1,3,11,12,14,15,16,19,20,21-decahydroyohimban-17-yl)ethanone",NA,"CC(=O)C1=C(CC2CC3C4=C(CCN3CC2C1)C5=CC=CC=C5N4)O","CCYGCBSMKVNVHP-UHFFFAOYSA-N",372793,NA,"PDBC11581","648416","Present",NA,NA
+"11582","18-Acetoxy-6,7-dolabelladiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-Acetoxy-6,10-dihydroxy-2,7-dolabelladiene",NA,"CC1CC(C=C(CC(C2C(CCC2(C=C1)C)C(C)(C)OC(=O)C)O)C)O","YVXKBXZXMGSJNO-KYWRCKAPSA-N",5387258,NA,"PDBC11582","622254","Present",NA,NA
+"11583","18-Benzoyloxy-19-benzoylfuranotriptolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-benzoyloxy-19-benzoylfuranotriptolide",NA,"CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(OC(=C6C5CC7C4(C2O)O7)C(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9)C","KVKIMCYNPUCLPB-FZIJBHDVSA-N",11365101,NA,"PDBC11583","747712","Present",NA,NA
+"11584","18-Chloro-16-methylsulfanyl-5,7-dioxa-13-thia-1,11,15,17-tetrazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,11,14(19),15,17-heptaen-20-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-Chloro-16-methylsulfanyl-5,7-dioxa-13-thia-1,11,15,17-tetrazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-2,4(8),9,11,14(19),15,17-heptaen-20-ol",NA,"CSC1=NC2=C(C(N3C4=CC5=C(C=C4N=C3S2)OCO5)O)C(=N1)Cl","RKJDHQCMJGIWCL-UHFFFAOYSA-N",394386,NA,"PDBC11584","697786","Present",NA,NA
+"11585","18-Crown-6-niobium(V)pentachloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-Crown-6-niobium(V)pentachloride",NA,"C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[Nb+5]","INNJBBDVGCLCBX-UHFFFAOYSA-S",54598705,NA,"PDBC11585","632592","Present",NA,NA
+"11586","18-Crown-6-tantalum(V)pentachloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-Crown-6-tantalum(V)pentachloride",NA,"C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[Ta+5]","VXMXCLWBEYYHLB-UHFFFAOYSA-S",54608657,NA,"PDBC11586","632590","Present",NA,NA
+"11587","18-Crown-6-tetrachloroplatinum(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-Crown-6-tetrachloroplatinum(IV)",NA,NA,NA,NA,NA,"PDBC11587","631895","Present",NA,NA
+"11588","18-Crown-6-vanadium(III)trichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-Crown-6-vanadium(III)trichloride",NA,"C1C[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]CC[OH+]1.[Cl-].[V]","NHAYJUPKKDCMNI-UHFFFAOYSA-S",54611322,NA,"PDBC11588","632600","Present",NA,NA
+"11589","18-Methoxy mycalamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-Methoxy mycalamide A",NA,"CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(COC)O)(C)C)OC)OCO2)O)OC)C","MKPJCIPUEDARJC-WQRPFLISSA-N",6711420,NA,"PDBC11589","626169","Present",NA,NA
+"11590","18-Norestr-4-en-3-one,2-[(9,10-dihydro-10-oxo-4-acridinyl)carbonyl]hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-Norestr-4-en-3-one, 17-ethynyl-13-ethyl- 17.beta.-hyd...",NA,"CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NNC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34","MMPFAQBCJMMYGH-SCFHEKCPSA-N",9572001,NA,"PDBC11590","684409","Present",NA,NA
+"11591","18-[(3S)-3-Aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.05,14.06,11.021,25]pentacosa-2(15),3,5(14),6,8,10,12,17(25),18,20,23-undecaene-23-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-[(3S)-3-Aminopyrrolidin-1-yl]-19-fluoro-22-oxo-16-oxa-1-azahexacyclo[15.7.1.02,15.05,14.06,11.021,25]pentacosa-2(15),3,5(14),6,8,10,12,17(25),18,20,23-undecaene-23-carboxylic acid",NA,"C1CN(CC1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=CC6=C5C=CC7=CC=CC=C76)F","ODUKWYWEUZJFKM-HNNXBMFYSA-N",400717,NA,"PDBC11591","713081","Present",NA,NA
+"11592","18-[3-(Trifluoromethyl)phenyl]-3,5,9,13,15-pentazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2,4,6,8,11,13,15-octaen-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-1-aza-11-(3-trifluoromethyl)-11,12-dihydropyrimi...",NA,"C1C(C2=C(C3=CN=CN=C31)N=C(C4=CN=CN=C42)N)C5=CC(=CC=C5)C(F)(F)F","JYTHLZCXJQIFAS-UHFFFAOYSA-N",155813840,NA,"PDBC11592","781926","Present",NA,NA
+"11593","19,33-Dimethoxy-13,28-dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"19,33-Dimethoxy-13,28-dimethyl-2,5,7,21-tetraoxa-13,28-diazaoctacyclo[25.6.2.222,25.13,10.116,20.04,8.031,35.014,39]nonatriaconta-1(33),3(39),4(8),9,16(38),17,19,22,24,31,34,36-dodecaene",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C8=C(C=C7CCN6C)OCO8)OC)OC","VUZCEBRTLDDSDP-UHFFFAOYSA-N",364103,NA,"PDBC11593","629744","Present",NA,NA
+"11594","19-(2,4,6-Triphenylpyridin-1-ium-1-yl)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"19-(2,4,6-Triphenylpyridin-1-ium-1-yl)-3,6,9,12,15-pentaoxabicyclo[15.3.1]henicosa-1(20),17(21),18-trien-21-olate",NA,"C1COCCOCC2=CC(=CC(=C2[O-])COCCOCCO1)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","COAIIDHOLUTVHX-UHFFFAOYSA-N",374132,NA,"PDBC11594","651559","Present",NA,NA
+"11595","19-Formylgeldanamycin tert-butylimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"19-Formylgeldanamycin tert-butylimine",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C=NC(C)(C)C)C)OC)OC(=O)N)C)C)O)OC","MCWXLLZNLHMYJE-DPMRUDTMSA-N",135476731,NA,"PDBC11595","210753","Present",NA,NA
+"11596","19-Formylgeldanamycin-N',N'-pentamethylenehydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"19-Formylgeldanamycin N-piperidinoimine",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=C(C(=O)C(=C(C1)C2=O)OC)C=NN3CCCCC3)C)OC)OC(=O)N)C)C)O)OC","KPFCMQVZSYJBFE-SUXKKJJASA-N",135468238,NA,"PDBC11596","255111","Present",NA,NA
+"11597","19-Hydroxy-8-O-methyltetrangulol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxymethoxytetrangulol",NA,"COC1=CC=CC2=C1C(=O)C3=C(C2=O)C4=C(C=C(C=C4C=C3)CO)O","IWDFTRSGZDSLDE-UHFFFAOYSA-N",379539,NA,"PDBC11597","664214","Present",NA,NA
+"11598","19-Oxo-1,4,7,10,13-pentaoxacyclotetracosane-18-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"19-Oxo-1,4,7,10,13-pentaoxacyclotetracosane-18-carbonitrile",NA,"C1CCC(=O)C(CCCCOCCOCCOCCOCCOCC1)C#N","WFGWLIQLDDANDC-UHFFFAOYSA-N",362087,NA,"PDBC11598","625610","Present",NA,NA
+"11599","19H-Benzo[c]naphth[1',2':4,5]imidazo[1,2-f]acridin-19-one, 6,7,8,9,9a,10,11,12-octahydro-10-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Phenyl-18,29-diazaheptacyclo[16.11.0.01,6.08,17.011,16.019,28.022,27]nonacosa-8(17),11,13,15,19,22,24,26,28-nonaen-21-one",NA,"C1CCC23C(C1)C(C4=C(N2C5=CC(=O)C6=CC=CC=C6C5=N3)C7=CC=CC=C7CC4)C8=CC=CC=C8","IXGQAFZANVLSEL-UHFFFAOYSA-N",378785,NA,"PDBC11599","661961","Present",NA,NA
+"11600","1H, 2,3,6,7-Tetrahydro-N-octyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,5H-Benzo[ij]quinolizin-9-amine, 2,3,6,7-tetrahydro-N-...",NA,"CCCCCCCCNC1=CC2=C3C(=C1)CCCN3CCC2.Cl","QIFLPQGHSHVCKW-UHFFFAOYSA-N",54612305,NA,"PDBC11600","160121","Present",NA,NA
+"11601","1H, 7-Azido-2,3-dihydro-6-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,5H-Benzo[ij]quinolizine-5-one, 7-azido-2,3-dihydro- 6...",NA,"C1CC2=C3C(=CC=C2)C(=C(C(=O)N3C1)[N+](=O)[O-])N=[N+]=[N-]","LUGLUKWBGJUZFA-UHFFFAOYSA-N",376996,NA,"PDBC11601","658215","Present",NA,NA
+"11602","1H,2-a]Pyrazolium, 4-(2-bromoethyl)-2,3,6,7-tetrahydro-, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,5H-Pyrazolo[1,2-a]pyrazolium, 4-(2-bromoethyl)- 2,3,6...",NA,"C1CN2CCC[N+]2(C1)CCBr.[Br-]","FZLWRPDJLXQTHG-UHFFFAOYSA-M",365322,NA,"PDBC11602","632913","Present",NA,NA
+"11603","1H,3H,5H-Thiazolo[4,3-c][1,4]benzothiazepine-5,11(11aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3a-Dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzothiazepine-4,10-dione",NA,"C1C2C(=O)SC3=CC=CC=C3C(=O)N2CS1","JMLYUSITCFDZQS-UHFFFAOYSA-N",375393,NA,"PDBC11603","655065","Present",NA,NA
+"11604","1H,3H-4,7-Epoxy-3a,7a-(methanothiomethano)isobenzofuran-1,3-dione, 4,7-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,13-Dioxa-11-thiatetracyclo[4.3.3.12,5.01,6]tridec-3-ene-7,9-dione",NA,"C1C23C4C=CC(C2(CS1)C(=O)OC3=O)O4","LPBLWAOIBKPJOX-UHFFFAOYSA-N",371432,NA,"PDBC11604","645652","Present",NA,NA
+"11605","1H,3H-Thiazolo(3,4-a)benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-TB",NA,"C1C2=NC3=CC=CC=C3N2CS1","CEZGFQCGXLQKCP-UHFFFAOYSA-N",65398,NA,"PDBC11605","624051","Present",NA,NA
+"11606","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-chloro-6-fluorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-chloro-6- fluor...",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4Cl)F","NLNZMDGETZJKFI-UHFFFAOYSA-N",362004,NA,"PDBC11606","625483","Present",NA,NA
+"11607","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-fluorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-fluorophenyl)-",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4F","HNWKWOBCUFHOSF-UHFFFAOYSA-N",362621,NA,"PDBC11607","626762","Present",NA,NA
+"11608","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(2-nitrophenyl)-",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4[N+](=O)[O-]","PSYDBXIUPWICOV-UHFFFAOYSA-N",366135,NA,"PDBC11608","634462","Present",NA,NA
+"11609","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-fluorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-fluorophenyl)-",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)F","KBLDVUXZJWDYOM-UHFFFAOYSA-N",362620,NA,"PDBC11609","626761","Present",NA,NA
+"11610","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-methoxyphenyl)-",NA,"COC1=CC=CC(=C1)C2N3C(=NC4=CC=CC=C43)CS2","KZLPIHZICDIAQU-UHFFFAOYSA-N",362000,NA,"PDBC11610","625479","Present",NA,NA
+"11611","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(3-nitrophenyl)-",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)[N+](=O)[O-]","JPYOBZYHHWLYHI-UHFFFAOYSA-N",366136,NA,"PDBC11611","634463","Present",NA,NA
+"11612","1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(4-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo(3,4-a)benzimidazole, 1-(4-nitrophenyl)-",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)[N+](=O)[O-]","GPJQAAFNSXDREJ-UHFFFAOYSA-N",366137,NA,"PDBC11612","634464","Present",NA,NA
+"11613","1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichlorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2,6-dichlorophenyl)-",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4Cl)Cl","NHXWVKNHPDSLDA-UHFFFAOYSA-N",362003,NA,"PDBC11613","625482","Present",NA,NA
+"11614","1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(2-bromophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Bromophenyl)-3H-[1,3]thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=CC=C4Br","CTFKPXQJNIZGEL-UHFFFAOYSA-N",361993,NA,"PDBC11614","625472","Present",NA,NA
+"11615","1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thiazolo[3,4-a]benzimidazole, 1-(4-methoxyphenyl)-",NA,"COC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2","YQNODDHPJUHDFQ-UHFFFAOYSA-N",361181,NA,"PDBC11615","624053","Present",NA,NA
+"11616","1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione, tetrahydro-3,7-bis(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,5H-[1,2,4]Triazolo[1,2-a][1,2,4]triazole-1,5-dithione...",NA,"CC1=CC=C(C=C1)C2NC(=S)N3N2C(=S)NC3C4=CC=C(C=C4)C","IHMQGSNZMQUJGZ-UHFFFAOYSA-N",3003864,NA,"PDBC11616","174923","Present",NA,NA
+"11617","1H,6H-Diimidazo[1,5-b:1',5'-e][1,2,4,5]tetrazine-1,3,6,8(2H,7H)-tetrone, 2,7-bis(4-ethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Bis(4-ethoxyphenyl)-1,2,5,7,8,11-hexazatricyclo[7.3.0.03,7]dodeca-2,8-diene-4,6,10,12-tetrone",NA,"CCOC1=CC=C(C=C1)N2C(=O)C3=NN4C(=NN3C2=O)C(=O)N(C4=O)C5=CC=C(C=C5)OCC","PKVFFXYTUAKHIW-UHFFFAOYSA-N",381868,NA,"PDBC11617","669037","Present",NA,NA
+"11618","1H,6H-Diimidazo[1,5-b:1',5'-e][1,2,4,5]tetrazine-1,3,6,8(2H,7H)-tetrone, 2,7-bis(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,6H-Diimidazo[1,5-b:1',5'-e][1,2,4,5]tetrazine-1,3,6,8(2H,7H)-tetrone, 2,7-bis(4-methylphenyl)-",NA,"CC1=CC=C(C=C1)N2C(=O)C3=NN4C(=NN3C2=O)C(=O)N(C4=O)C5=CC=C(C=C5)C","WRJFILRNOGVZME-UHFFFAOYSA-N",381866,NA,"PDBC11618","669035","Present",NA,NA
+"11619","1H,6H-Diimidazo[1,5-b:1',5'-e][1,2,4,5]tetrazine-1,3,6,8(2H,7H)-tetrone, 2,7-dipropyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,6H-Diimidazo[1,5-b:1',5'-e][1,2,4,5]tetrazine-1,3,6,8(2H,7H)-tetrone, 2,7-dipropyl-",NA,"CCCN1C(=O)C2=NN3C(=NN2C1=O)C(=O)N(C3=O)CCC","YDLFAJBFYBLRNC-UHFFFAOYSA-N",381867,NA,"PDBC11619","669036","Present",NA,NA
+"11620","1H,8H-3a,8a-Propanocyclopent[a]indene-2,8,10(3H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetracyclo[7.3.3.01,9.02,7]pentadeca-2,4,6-triene-8,11,14-trione",NA,"C1C(=O)CC23C1(CC(=O)C2)C4=CC=CC=C4C3=O","FRCCAVXOZDUCAP-UHFFFAOYSA-N",365942,NA,"PDBC11620","634085","Present",NA,NA
+"11621","1H-1, 1-(p-Bromo-alpha-phenylbenzyl)hexahydro-4-methyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,4-Diazepine, 1-(p-bromo-.alpha.-phenylbenzyl)hexahy...",NA,"CN1CCCN(CC1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Br.Cl","HPHGFXLNEPHRIW-UHFFFAOYSA-N",24200713,NA,"PDBC11621","400717","Present",NA,NA
+"11622","1H-1,2,3-Benzotriazole, 1,1'-(3,4,4-trichloro-2-nitro-1,3-butadienylidene)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,2-Trichloro-3-nitro-4,4-bis(1H-benzotriazole-1-yl)-1,3-butadiene",NA,"C1=CC=C2C(=C1)N=NN2C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3","IJMIRMDQNPQEDL-UHFFFAOYSA-N",379903,NA,"PDBC11622","665095","Present",NA,NA
+"11623","1H-1,2,4-Triazole-3-propanamide, 5-mercapto-N-(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,2,4-Triazole-3-propanamide, 5-mercapto-N-(4-methylp...",NA,"CC1=CC=C(C=C1)NC(=O)CCC2=NC(=S)NN2","DNYQYPCSUDAKPF-UHFFFAOYSA-N",3004071,NA,"PDBC11623","625822","Present",NA,NA
+"11624","1H-1,2-Diazaphosphole-4,5-dicarbonitrile, 2-[bis(2-chloroethyl)amino]-2,3-dihydro-, 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,3,2-Diazaphosphole-4,5-dicarbonitrile, 2-[bis(2-chl...",NA,"C(CCl)N(CCCl)P1(=O)NC(=C(N1)C#N)C#N","FHMXUIRWTGYFMB-UHFFFAOYSA-N",318338,NA,"PDBC11624","254237","Present",NA,NA
+"11625","1H-1,5-Benzodiazepine, 2,3-dihydro-4-(4-morpholinyl)-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,5-Benzodiazepine, 2,3-dihydro-4-(4-morpholinyl)-2-phenyl-",NA,"C1COCCN1C2=NC3=CC=CC=C3NC(C2)C4=CC=CC=C4","MQIYEOHPAQDLOE-UHFFFAOYSA-N",397535,NA,"PDBC11625","705843","Present",NA,NA
+"11626","1H-1,7-Phenanthrolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,7-Phenanthrolin-4-one",NA,"C1=CNC2=CC=C3C(=O)C=CN=C3C2=C1","DTNQMIGCMBWBTR-UHFFFAOYSA-N",367728,NA,"PDBC11626","637665","Present",NA,NA
+"11627","1H-2-Benzopyran-1-one, 4-methyl-3-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methyl-3-phenylisocoumarin",NA,"CC1=C(OC(=O)C2=CC=CC=C12)C3=CC=CC=C3","UMAAMPIWXTXNEU-UHFFFAOYSA-N",404298,NA,"PDBC11627","720480","Present",NA,NA
+"11628","1H-5,8a-Propanoquinolin-7(8H)-one, hexahydro-1-(3-hydroxypropyl)-10-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Hydroxypropyl)-12-methyl-2-azatricyclo[5.3.3.01,6]tridecan-9-one",NA,"CC1CC2CC(=O)CC3(C1)C2CCCN3CCCO","YCNYNASSMKILCM-UHFFFAOYSA-N",361474,NA,"PDBC11628","624511","Present",NA,NA
+"11629","1H-Azepine-1-carbothioic acid, [1-(3-methylpyrazinyl)ethylidene]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Azepine-1-carbothioic acid, hexahydro-, [1-(3-methylp...",NA,"CC1=NC=CN=C1C(=NNC(=S)N2CCCCCC2)C","OMUIGEYISHKSJE-SFQUDFHCSA-N",5378367,NA,"PDBC11629","359708","Present",NA,NA
+"11630","1H-Benz(de)isoquinoline-1,3(2H)-dione, 5-amino-2-(2-(diethylamino)ethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(die...",NA,"CCN(CC)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)N","QDFFNSUDGUZZSJ-UHFFFAOYSA-N",328773,NA,"PDBC11630","308848","Present",NA,NA
+"11631","1H-Benz[de]isoquinoline-1, 2,2'-[1,2-ethanediylbis(imino-3,1-propanediyl)]bis[5,8-dinitro-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[de]isoquinoline-1,3(2H)-dione, 2,2'-[1,2- ethane...",NA,"C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CCCNCCNCCCN4C(=O)C5=CC(=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].Cl","BKKSKIIDTWHAPV-UHFFFAOYSA-N",355134,NA,"PDBC11631","615803","Present",NA,NA
+"11632","1H-Benz[e]indole-3-carboxylic acid,3-dihydro-5-hydroxy-1H-benz[e]indol-3-yl]-1,5-dioxopentyl]amino]-1-(chloromethyl)-2,3-dihydro-5-hydroxy-, 1,1-dimethylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[e]indole-3-carboxylic acid, 7-[[5-[7-(acetylamin...",NA,"CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O","OPQNJWHDOOQHIJ-UHFFFAOYSA-N",400180,NA,"PDBC11632","711693","Present",NA,NA
+"11633","1H-Benz[g]indol-5-ol, 2-phenyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[g]indol-5-ol, 2-phenyl",NA,"C1=CC=C(C=C1)C2=CC3=C(N2)C4=CC=CC=C4C(=C3)O","CPMFHDMMFAPLJH-UHFFFAOYSA-N",371327,NA,"PDBC11633","645431","Present",NA,NA
+"11634","1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-methyl-2-pyrimidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-methyl-2-pyrimidinyl)-",NA,"CC1=C(N=C(N=C1Cl)NC2=NC3=CC=CC=C3N2)Cl","OCWKWOATJXIYOB-UHFFFAOYSA-N",387150,NA,"PDBC11634","680664","Present",NA,NA
+"11635","1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-phenyl-2-pyrimidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazol-2-amine, N-(4,6-dichloro-5-phenyl-2-pyrimidinyl)-",NA,"C1=CC=C(C=C1)C2=C(N=C(N=C2Cl)NC3=NC4=CC=CC=C4N3)Cl","XXLLIKXMZDUCPE-UHFFFAOYSA-N",387149,NA,"PDBC11635","680663","Present",NA,NA
+"11636","1H-Benzimidazol-2-yl(2-pyridinyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazol-2-yl(2-pyridinyl)acetonitrile",NA,"C1=CC=C2C(=C1)NC(=N2)C(C#N)C3=CC=CC=N3","VFXXZVZZYCCKAQ-UHFFFAOYSA-N",366007,NA,"PDBC11636","634180","Present",NA,NA
+"11637","1H-Benzimidazol-2-yl(7-hydroxy-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidin-2(3H)-ylidene)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(1H-Benzimidazol-2-yl)-2-(5-methyl-7-oxo-3-phenyl-6H-[1,3]thiazolo[4,5-d]pyrimidin-2-ylidene)acetonitrile",NA,"CC1=NC2=C(C(=O)N1)SC(=C(C#N)C3=NC4=CC=CC=C4N3)N2C5=CC=CC=C5","WRAZPHCLFUOTNS-STZFKDTASA-N",135499333,NA,"PDBC11637","652045","Present",NA,NA
+"11638","1H-Benzimidazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazol-2-yl-[(1E)-1-(1-hydroxypyridin-2-ylidene)ethyl]diazene",NA,"CC(=C1C=CC=CN1O)N=NC2=NC3=CC=CC=C3N2","SSESEINREBIOOT-BPXADIFKSA-N",135426818,NA,"PDBC11638","720191","Present",NA,NA
+"11639","1H-Benzimidazole, 4,7-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazole, 4,7-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-",NA,"CN1C=NC(=C1SC2=NC3=C(C=CC(=C3N2)OC)OC)[N+](=O)[O-]","RBPSRRJYVLSVAH-UHFFFAOYSA-N",364606,NA,"PDBC11639","631134","Present",NA,NA
+"11640","1H-Benzimidazole, 5,6-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazole, 5,6-dimethoxy-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-",NA,"CN1C=NC(=C1SC2=NC3=CC(=C(C=C3N2)OC)OC)[N+](=O)[O-]","OGFOFSFYCAMQBV-UHFFFAOYSA-N",364605,NA,"PDBC11640","631133","Present",NA,NA
+"11641","1H-Benzimidazole, 5-amino-6-fluoro-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazole, 5-amino-6-fluoro-2-methyl-",NA,"CC1=NC2=C(N1)C=C(C(=C2)N)F","GHVXBOIOCHKSHV-UHFFFAOYSA-N",366240,NA,"PDBC11641","634581","Present",NA,NA
+"11642","1H-Benzimidazole, 6-chloro-1-(2-chloroethyl)-2-(chloromethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazole, 6-chloro-1-(2-chloroethyl)-2-(chlorome...",NA,"C1=CC2=C(C=C1Cl)N(C(=N2)CCl)CCCl","AKNZHAUTXUWGGO-UHFFFAOYSA-N",315496,NA,"PDBC11642","240755","Present",NA,NA
+"11643","1H-Benzimidazole,6-dichloro-2-(tetrahydro-2-pyranyl)-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazole, 5,6-dichloro-2-(tetrahydro- 2-pyranyl)...",NA,"C1CCOC(C1)C2=NC3=CC(=C(C=C3N2)Cl)Cl.Cl","RZLVDDZMMIEWFF-UHFFFAOYSA-N",388070,NA,"PDBC11643","682534","Present",NA,NA
+"11644","1H-Benzimidazole-1-sulfonamide, N-[(2-thiazolylamino)carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazole-1-sulfonamide, N-[(2-thiazolylamino)carbonyl]-",NA,"C1=CC=C2C(=C1)N=CN2S(=O)(=O)NC(=O)NC3=NC=CS3","ROZYCXTTXBXJCM-UHFFFAOYSA-N",397675,NA,"PDBC11644","706037","Present",NA,NA
+"11645","1H-Benzimidazole-4-carboxamide, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazole-4-carboxamide, N-[2-(dimethylamino)ethy...",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=NC=C3.Cl","WZKPVUJVPQLZRU-UHFFFAOYSA-N",386523,NA,"PDBC11645","678932","Present",NA,NA
+"11646","1H-Benzo(a)carbazole-1,4-dione, 8,11-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo(a)carbazole-1,4-dione, 8,11-dimethyl-",NA,"CC1=CC2=C(C=C1)N(C3=C2C=CC4=C3C(=O)C=CC4=O)C","XDWNNOGYJWNAAV-UHFFFAOYSA-N",378581,NA,"PDBC11646","661221","Present",NA,NA
+"11647","1H-Benzo[a]carbazole-1, 11-(2-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-(2-nitrophenyl)-",NA,"C1=CC=C2C(=C1)C3=C(N2C4=CC=CC=C4[N+](=O)[O-])C5=C(C=C3)C(=O)C=CC5=O","YIBYUJOLZABPHQ-UHFFFAOYSA-N",397482,NA,"PDBC11647","705524","Present",NA,NA
+"11648","1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo[a]carbazole-1,4(11H)-dione, 11-methyl-",NA,"CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C=CC4=O","IUPDQKLAXUTBLE-UHFFFAOYSA-N",261066,NA,"PDBC11648","92937","Present",NA,NA
+"11649","1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-",NA,"COC1=CC2=C(C=C1)NC3=C2C=CC4=C3C(=O)C=CC4=O","LETGFRZUYFTHIV-UHFFFAOYSA-N",369538,NA,"PDBC11649","641395","Present",NA,NA
+"11650","1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-11-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo[a]carbazole-1,4(11H)-dione, 8-methoxy-11- methyl-",NA,"CN1C2=C(C=C(C=C2)OC)C3=C1C4=C(C=C3)C(=O)C=CC4=O","NJELFFLROCNKMT-UHFFFAOYSA-N",369539,NA,"PDBC11650","641396","Present",NA,NA
+"11651","1H-Benzo[f]pyrrolo[1,2-a]indole-11-carbonitrile, 2,3,5,10,11,11a-hexahydro-5,10-dioxo-11-(1-oxo-1,3-dithiolan-2-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo[f]pyrrolo[1,2-a]indole-11-carbonitrile, 2,3,5,1...",NA,"C1CC2C(C3=C(N2C1)C(=O)C4=CC=CC=C4C3=O)(C#N)C5SCCS5=O","IPHUNVUCWFGDGB-UHFFFAOYSA-N",363542,NA,"PDBC11651","628507","Present",NA,NA
+"11652","1H-Benzotriazolium,4-diamino-6-ethyl-5-pyrimidinyl)-1-hydroxy-2-phenyl-, hydroxide, inner salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzotriazolium, 6-(2,4-diamino-6-ethyl-5-pyrimidinyl...",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC3=[N+](N(N=C3C=C2)C4=CC=CC=C4)[O-]","ZVHVJEWJNSDXDB-UHFFFAOYSA-N",135502406,NA,"PDBC11652","382054","Present",NA,NA
+"11653","1H-Cyclopenta[b]pyridine-3-carbonitrile, 1-hexopyranosyl-2,5,6,7-tetrahydro-4-(4-methoxyphenyl)-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=C(C(=S)N(C3=C2CCC3)C4C(C(C(C(O4)CO)O)O)O)C#N","ALSHYYMPYTWOHG-UHFFFAOYSA-N",381284,NA,"PDBC11653","667720","Present",NA,NA
+"11654","1H-Cyclopenta[b]pyridine-3-carbonitrile, 4-(4-chlorophenyl)-1-hexopyranosyl-2,5,6,7-tetrahydro-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile",NA,"C1CC2=C(C1)N(C(=S)C(=C2C3=CC=C(C=C3)Cl)C#N)C4C(C(C(C(O4)CO)O)O)O","AAFKCAQQVXSMPT-UHFFFAOYSA-N",381285,NA,"PDBC11654","667721","Present",NA,NA
+"11655","1H-Dipyrazolo[1,3'-e]pyrimidine-3,4,7-triamine, 6-[(4-bromophenyl)azo]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Dipyrazolo[1,5-a:4',3'-e]pyrimidine-3,4,7-triamine, 6...",NA,"C1=CC(=CC=C1N=NC2=C3N=C(C4=C(NN=C4N3N=C2N)N)N)Br","WYGLQHIDFTVCHM-UHFFFAOYSA-N",135489789,NA,"PDBC11655","673841","Present",NA,NA
+"11656","1H-Imidazo(4,5-f)quinoline, 2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Imidazo[4,5-f]quinoline, 2-methyl",NA,"CC1=NC2=C(N1)C=CC3=C2C=CC=N3","IUQHRMZIDYAPEW-UHFFFAOYSA-N",150368,NA,"PDBC11656","625168","Present",NA,NA
+"11657","1H-Imidazo[1,2-b]pyrazole-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2198-7954",NA,"C1=CN2C(=N1)C(=CN2)C#N","JFDUSQYSPLGVQB-UHFFFAOYSA-N",354306,NA,"PDBC11657","605469","Present",NA,NA
+"11658","1H-Imidazo[4,5-c]pyridin-4-amine,1-(2-deoxy-b-D-erythro-pentofuranosyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Aminoimidazo[4,5-c]pyridin-1-yl)-2-(hydroxymethyl)oxolan-3-ol",NA,"C1C(C(OC1N2C=NC3=C2C=CN=C3N)CO)O","KMQPIRJQPAVGJL-UHFFFAOYSA-N",360801,NA,"PDBC11658","623217","Present",NA,NA
+"11659","1H-Imidazo[4,5-d]pyridazin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Aza-3-deazaadenine",NA,"C1=C2C(=C(N=N1)N)N=CN2","AQXVOWQDVXWUAX-UHFFFAOYSA-N",5469585,NA,"PDBC11659","690569","Present",NA,NA
+"11660","1H-Imidazo[4,5-d]pyridazin-4-ylhydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazo[4,5-d]pyridazin-4-ylhydrazine",NA,"C1=C2C(=C(N=N1)NN)N=CN2","YCDRRVUBKZEHNP-UHFFFAOYSA-N",5469590,NA,"PDBC11660","690574","Present",NA,NA
+"11661","1H-Imidazole, 1-(3,4,5-trimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4,5-trimethoxyphenyl)-1H-imidazole",NA,"COC1=CC(=CC(=C1OC)OC)N2C=CN=C2","MJSGLWFDTOTSBO-UHFFFAOYSA-N",10977369,NA,"PDBC11661","733435","Present",NA,NA
+"11662","1H-Imidazole, 1-ethyl-5-(1H-imidazol-2-ylthio)-2-methyl-4-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole, 1-ethyl-5-(1H-imidazol-2-ylthio)-2-methyl-4-nitro-",NA,"CCN1C(=NC(=C1SC2=NC=CN2)[N+](=O)[O-])C","HIFDGCIGEWMDTG-UHFFFAOYSA-N",364616,NA,"PDBC11662","631148","Present",NA,NA
+"11663","1H-Imidazole, 1-methyl-2-nitro-5-vinyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1h-imidazole, 1-methyl-2-nitro-5-vinyl-",NA,"CN1C(=CN=C1[N+](=O)[O-])C=C","NZPWAZZKZMQLTL-UHFFFAOYSA-N",93215,NA,"PDBC11663","294743","Present",NA,NA
+"11664","1H-Imidazole, 1-methyl-4-nitro-5-[(1-phenyl-1H-imidazol-2-yl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole, 1-methyl-4-nitro-5-[(1-phenyl-1H-imidazol-2-yl)thio]-",NA,"CN1C=NC(=C1SC2=NC=CN2C3=CC=CC=C3)[N+](=O)[O-]","ZLAGQHINXCNPNT-UHFFFAOYSA-N",364617,NA,"PDBC11664","631149","Present",NA,NA
+"11665","1H-Imidazole, 1-methyl-5-[[1-(1-naphthalenyl)-1H-imidazol-2-yl]thio]-4-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole, 1-methyl-5-[[1-(1-naphthalenyl)-1H-imidazol-2-yl]thio]-4-nitro-",NA,"CN1C=NC(=C1SC2=NC=CN2C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]","WXWNAVCCLITBEE-UHFFFAOYSA-N",364618,NA,"PDBC11665","631150","Present",NA,NA
+"11666","1H-Imidazole, 4,5-dihydro-2-(4-nitrophenyl)-1-nitroso-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole, 4,5-dihydro-2-(4-nitrophenyl)-1-nitroso-",NA,"C1CN(C(=N1)C2=CC=C(C=C2)[N+](=O)[O-])N=O","BRUCWFJVHUKGDC-UHFFFAOYSA-N",370635,NA,"PDBC11666","643977","Present",NA,NA
+"11667","1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-1-acetamide, N,N-bis(2-hydroxyethyl)-2-nitro-",NA,"C1=CN(C(=N1)[N+](=O)[O-])CC(=O)N(CCO)CCO","KGFGBSRVWKBWIC-UHFFFAOYSA-N",92390,NA,"PDBC11667","314055","Present",NA,NA
+"11668","1H-Imidazole-1-ethanol, 4,5-dihydro-2-tridecyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-imidazoline-1-ethanol, 2-tridecyl- (8ci)",NA,"CCCCCCCCCCCCCC1=NCCN1CCO","KUHILYGRHCIQJN-UHFFFAOYSA-N",64675,NA,"PDBC11668","57618","Present",NA,NA
+"11669","1H-Imidazole-2-imine,5-dihydro-N-(4-methylphenyl)-5-phenylmethylene-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-2-imine, 4-chloro-2,5-dihydro- N-(4-methylp...",NA,"CC1=CC=C(C=C1)NC2=NC(=CC3=CC=CC=C3)C(=N2)Cl","IEJNELASGAOHNB-RVDMUPIBSA-N",20835551,NA,"PDBC11669","684379","Present",NA,NA
+"11670","1H-Imidazole-4-carbonitrile, 5-amino-1-methyl-2-(methylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-4-carbonitrile, 5-amino-1-methyl-2-(methylthio)-",NA,"CN1C(=C(N=C1SC)C#N)N","HAOBVJVRQKKRRW-UHFFFAOYSA-N",381400,NA,"PDBC11670","667944","Present",NA,NA
+"11671","1H-Imidazole-4-carboxamide, 2,3-dihydro-2-oxo-1,3-bis(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-4-carboxamide, 2,3-dihydro-2-oxo-1,3-bis(phenylmethyl)-",NA,"C1=CC=C(C=C1)CN2C=C(N(C2=O)CC3=CC=CC=C3)C(=O)N","OXHZBWBDUHCVRO-UHFFFAOYSA-N",369309,NA,"PDBC11671","641063","Present",NA,NA
+"11672","1H-Imidazole-4-carboxamide, 5-amino-1-[2-[4-[11-[(6,9-dihydro-3H-purin-6-yl)amino]-1-oxoundecyl]-1-piperazinyl]ethyl]-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-[2-[4-[11-(6,7-dihydro-3H-purin-6-ylamino)undecanoyl]piperazin-1-yl]ethyl]-2-methylimidazole-4-carboxamide",NA,"CC1=NC(=C(N1CCN2CCN(CC2)C(=O)CCCCCCCCCCNC3C4=C(NC=N3)N=CN4)N)C(=O)N","KTULRZGHBYYTSL-UHFFFAOYSA-N",362826,NA,"PDBC11672","627183","Present",NA,NA
+"11673","1H-Imidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-1,3-bis(phenylmethyl)-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-4-carboxylic acid, 2,3-dihydro-2-oxo-1,3-bis(phenylmethyl)-, ethyl ester",NA,"CCOC(=O)C1=CN(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3","ICKSSEMZTADIKX-UHFFFAOYSA-N",369310,NA,"PDBC11673","641064","Present",NA,NA
+"11674","1H-Imidazole-5-one,5-dihydro-1-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-5-one, 2-(2-chloro-5-nitrophenyl)- 4-[[4-[b...",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)OC","RCIVNQFJYXHCEQ-VEILYXNESA-N",6477148,NA,"PDBC11674","640080","Present",NA,NA
+"11675","1H-Imidazole;imidazole-1-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1h-Imidazole-1-sulfonic acid-1h-imidazole(1:1)",NA,"C1=CN=CN1.C1=CN(C=N1)S(=O)(=O)O","QWURXWCYNQFMQU-UHFFFAOYSA-N",275085,NA,"PDBC11675","121603","Present",NA,NA
+"11676","1H-Indazol-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-indazolamine",NA,"C1=CC=C2C(=C1)C(=NN2)N","YDTDKKULPWTHRV-UHFFFAOYSA-N",13399,NA,"PDBC11676","44677","Present",NA,NA
+"11677","1H-Indazole, 3-methoxy-1-[(2-methoxyphenyl)methyl]-5-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-indazole, 3-methoxy-1-[(2-methoxyphenyl)methyl]- 5-ni...",NA,"COC1=CC=CC=C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OC","YXSOAIBTQVDWGA-UHFFFAOYSA-N",386342,NA,"PDBC11677","678125","Present",NA,NA
+"11678","1H-Indene-1,3(2H)-dione, 2-[(2,4,6-trihydroxyphenyl)methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indene-1,3(2H)-dione, 2-[(2,4,6-trihydroxyphenyl)methylene]-",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=C(C=C(C=C3O)O)O)C2=O","PCONGAYMHWGQAX-UHFFFAOYSA-N",369409,NA,"PDBC11678","641179","Present",NA,NA
+"11679","1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]phenylmethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indene-1,3(2H)-dione, 2-[[(2-methylphenyl)imino]pheny...",NA,"CC1=CC=CC=C1N=C(C2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4","ZCLPAQYHDXAQFS-UHFFFAOYSA-N",335118,NA,"PDBC11679","343378","Present",NA,NA
+"11680","1H-Indene-1,3(2H)-dione, 2-hydroxy-2-(1H-indol-3-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-2-(1H-indol-3-yl)-1H-indene-1,3(2H)-dione",NA,"C1=CC=C2C(=C1)C(=O)C(C2=O)(C3=CNC4=CC=CC=C43)O","RROGHTXKVLKJMG-UHFFFAOYSA-N",368089,NA,"PDBC11680","638431","Present",NA,NA
+"11681","1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo-6-methyl-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indene-2-carboxylic acid, 2,3-dihydro-1-oxo- 6-methyl...",NA,"CC1=CC2=C(CC(C2=O)C(=O)OC)C=C1","JSODNIIBTFVQMN-UHFFFAOYSA-N",382672,NA,"PDBC11681","670320","Present",NA,NA
+"11682","1H-Indene-2-carboxylic acid, 2,3-dihydro-2-(phenylmethyl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indene-2-carboxylic acid, 2,3-dihydro- 2-(phenylmethy...",NA,"COC(=O)C1(CC2=CC=CC=C2C1)CC3=CC=CC=C3","IRNRGSSCNBZJJR-UHFFFAOYSA-N",382692,NA,"PDBC11682","670340","Present",NA,NA
+"11683","1H-Indene-2-carboxylic acid, 2,3-dihydro-2-[(2,3-dihydro-1H-inden-5-yl)methyl]-1-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indene-2-carboxylic acid, 2,3-dihydro-2-[(2,3- dihydr...",NA,"COC(=O)C1(CC2=CC=CC=C2C1=O)CC3=CC4=C(CCC4)C=C3","SUTQCHYMFJGXOS-UHFFFAOYSA-N",382679,NA,"PDBC11683","670327","Present",NA,NA
+"11684","1H-Indene-4-carboxylic acid, 6-[(1,2,3,5,6,7-hexahydro-1-oxo-s-indacen-2-yl)methyl]-2,3-dihydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-[(3-oxo-2,5,6,7-tetrahydro-1H-s-indacen-2-yl)methyl]indane-4-carboxylate",NA,"COC(=O)C1=CC(=CC2=C1CCC2)CC3CC4=C(C3=O)C=C5CCCC5=C4","PHOXEIVVUWMYIC-UHFFFAOYSA-N",382686,NA,"PDBC11684","670334","Present",NA,NA
+"11685","1H-Indol-2-yl(2-(3-pyridinyl)-1,3-dithian-2-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indol-2-yl(2-(3-pyridinyl)-1,3-dithian-2-yl)methanol",NA,"C1CSC(SC1)(C2=CN=CC=C2)C(C3=CC4=CC=CC=C4N3)O","MTRFKEHYLUTZOG-UHFFFAOYSA-N",392518,NA,"PDBC11685","693034","Present",NA,NA
+"11686","1H-Indol-3-amine,5-dihydro-1H-imidazol-2-yl)-2-[2-[5-(4,5-dihydro-1H-imidazol-2-yl)-2-benzofuranyl]ethenyl]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indol-3-amine, 6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-...",NA,"C1CN=C(N1)C2=CC3=C(C=C2)OC(=C3)C=CC4=C(C5=C(N4)C=C(C=C5)C6=NCCN6)N.Cl","CMBDGGNJKRQNBA-WGCWOXMQSA-N",54600682,NA,"PDBC11686","357756","Present",NA,NA
+"11687","1H-Indol-3-yl diphenyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indol-3-yl diphenyl phosphate",NA,"C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)OC3=CNC4=CC=CC=C43","JXMDQSPEXGIMNW-UHFFFAOYSA-N",403817,NA,"PDBC11687","719332","Present",NA,NA
+"11688","1H-Indol-3-yl(morpholin-4-yl)methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL426492",NA,"C1COCCN1C(=S)C2=CNC3=CC=CC=C32","LPNFNROQKIYLPG-UHFFFAOYSA-N",391442,NA,"PDBC11688","690646","Present",NA,NA
+"11689","1H-Indol-3-yl-(4-phenylpiperazin-1-yl)methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indol-3-yl-(4-phenylpiperazin-1-yl)methanethione",NA,"C1CN(CCN1C2=CC=CC=C2)C(=S)C3=CNC4=CC=CC=C43","QTSOPXNYURBTDB-UHFFFAOYSA-N",391444,NA,"PDBC11689","690648","Present",NA,NA
+"11690","1H-Indol-6-amine,3-dihydro-1-[(5-methoxy-2-benzofuranyl)sulfonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indol-6-amine, 3-(chloromethyl)-2,3-dihydro- 1-[(5-me...",NA,"COC1=CC2=C(C=C1)OC(=C2)S(=O)(=O)N3CC(C4=C3C=C(C=C4)N)CCl","MZVMCVHDIYTKHQ-UHFFFAOYSA-N",393691,NA,"PDBC11690","696124","Present",NA,NA
+"11691","1H-Indole, 3,3'-methylenebis[5-fluoro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-di(5,5'-difluoroindolyl)methane",NA,"C1=CC2=C(C=C1F)C(=CN2)CC3=CNC4=C3C=C(C=C4)F","BEBUKYWOUXBVEE-UHFFFAOYSA-N",9882204,NA,"PDBC11691","734100","Present",NA,NA
+"11692","1H-Indole, 3,3'-methylenebis[5-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-di(5,5'-dimethoxyindolyl)methane",NA,"COC1=CC2=C(C=C1)NC=C2CC3=CNC4=C3C=C(C=C4)OC","JTPGESPWPBXUEF-UHFFFAOYSA-N",9944370,NA,"PDBC11692","731013","Present",NA,NA
+"11693","1H-Indole, 3-(2-nitroethenyl)-5-(phenylmethoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole, 3-(2-nitroethenyl)-5-(phenylmethoxy)- (9CI)",NA,"C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C=C[N+](=O)[O-]","VHFAFPNKRNJZPV-HJWRWDBZSA-N",5357227,NA,"PDBC11693","73392","Present",NA,NA
+"11694","1H-Indole, 3-chloro-2-methyl-1-(phenylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole, 3-chloro-2-methyl-1-(phenylsulfonyl)-",NA,"CC1=C(C2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3)Cl","QIULZNQRTYZHHA-UHFFFAOYSA-N",374834,NA,"PDBC11694","653261","Present",NA,NA
+"11695","1H-Indole, 5-bromo-3-[2-(2-pyridinyl)-4-thiazolyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole, 5-bromo-3-[2-(2-pyridinyl)-4-thiazolyl]-",NA,"C1=CC=NC(=C1)C2=NC(=CS2)C3=CNC4=C3C=C(C=C4)Br","KOYYFXGVZHRNHN-UHFFFAOYSA-N",397551,NA,"PDBC11695","705871","Present",NA,NA
+"11696","1H-Indole,3'-(2,5-piperazinediyl)bis(6-bromo-, (+-)-, dihydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole, 3,3'-(2,5-piperazinediyl)bis(6-bromo-, (+-)-,...",NA,"C1C(NCC(N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br.Br","DKTUWFDNGCKDFQ-GZJHNZOKSA-N",54608887,NA,"PDBC11696","678530","Present",NA,NA
+"11697","1H-Indole-1-acetamide, N,N-diethyl-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK150881",NA,"CCN(CC)C(=O)CN1C(=CC2=CC=CC=C21)C","MPRMWLVHRHZLML-UHFFFAOYSA-N",381970,NA,"PDBC11697","669280","Present",NA,NA
+"11698","1H-Indole-1-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole-1-acetic acid",NA,"C1=CC=C2C(=C1)C=CN2CC(=O)O","WQJFIWXYPKYBTO-UHFFFAOYSA-N",90448,NA,"PDBC11698","75866","Present",NA,NA
+"11699","1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-1-carboxylic acid, 3-bromo-2-(bromomethyl)-, methyl ester",NA,"COC(=O)N1C2=CC=CC=C2C(=C1CBr)Br","PWHZKTGUSVYGTC-UHFFFAOYSA-N",374849,NA,"PDBC11699","653275","Present",NA,NA
+"11700","1H-Indole-2,3-dione, 1-(3,4-dichlorobenzoyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-2,3-dione, 1-(3,4-dichlorobenzoyl)-",NA,"C1=CC=C2C(=C1)C(=O)C(=O)N2C(=O)C3=CC(=C(C=C3)Cl)Cl","FBPMAYHQPQGFHB-UHFFFAOYSA-N",362456,NA,"PDBC11700","626403","Present",NA,NA
+"11701","1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2, 3-dihydro-2-methyl-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-2-carboxylic acid, 5,6-bis(acetyloxy)-2,3-dihy...",NA,"CC(=O)OC1=C(C=C2C(=C1)CC(N2)(C)C(=O)OC)OC(=O)C","ROHZHZUPUYTOST-UHFFFAOYSA-N",334839,NA,"PDBC11701","341956","Present",NA,NA
+"11702","1H-Indole-3-acetamide, 2-[3-methoxy-3-methyl-1-butenyl]-N-[2-[1-(triphenylmethyl)-1H-imidazol-4-yl]ethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-3-acetamide, 2-[3-methoxy-3-methyl-1-butenyl]-...",NA,"CC(C)(C=CC1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC","BBJLJOMWQNJXLB-WJTDDFOZSA-N",5471025,NA,"PDBC11702","707438","Present",NA,NA
+"11703","1H-Indole-3-methanol, 1-[(4-chlorophenyl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-3-methanol, 1-[(4-chlorophenyl)methyl]-",NA,"C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)CO","WOUBLGRNDINCJL-UHFFFAOYSA-N",11821732,NA,"PDBC11703","741909","Present",NA,NA
+"11704","1H-Indole-3-methanol, 1-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-3-methanol, 1-methoxy-",NA,"CON1C=C(C2=CC=CC=C21)CO","AQEZKEWAYCAHAX-UHFFFAOYSA-N",398553,NA,"PDBC11704","708489","Present",NA,NA
+"11705","1H-Isoindol-1-one, 2,3-dihydro-2-(4-hydroxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Isoindol-1-one, 2,3-dihydro-2-(4-hydroxyphenyl)-",NA,"C1C2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)O","NDERTONLGOTDER-UHFFFAOYSA-N",379549,NA,"PDBC11705","664225","Present",NA,NA
+"11706","1H-Isoindole-1, 2-[4[(5,6-dimethoxy-8-quinolinyl)amino]pentyl]-,",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Isoindole-1,3(2H)-dione, 2-[4[(5,6-dimethoxy-8-quinol...",NA,"CC(CCCN1C(=O)C2=CC=CC=C2C1=O)NC3=CC(=C(C4=C3N=CC=C4)OC)OC.OP(=O)(O)O","SGJRSIJUAXYVAN-UHFFFAOYSA-N",45028331,NA,"PDBC11706","742239","Present",NA,NA
+"11707","1H-Isoindole-1, 5,5'-dithiobis[6-chlorohexahydro-2-[(1,1,2,2-tetrachloroethyl)thio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Isoindole-1,3(2H)-dione, 5,5'-dithiobis[6-chlorohexah...",NA,"C1C2C(CC(C1SSC3CC4C(CC3Cl)C(=O)N(C4=O)SC(C(Cl)Cl)(Cl)Cl)Cl)C(=O)N(C2=O)SC(C(Cl)Cl)(Cl)Cl","BCRRQTMYMQMOAZ-UHFFFAOYSA-N",334486,NA,"PDBC11707","339866","Present",NA,NA
+"11708","1H-Isoindole-1,3(2H)-dione, 5-amino-2-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Isoindole-1,3(2H)-dione, 5-amino-2-hydroxy-",NA,"C1=CC2=C(C=C1N)C(=O)N(C2=O)O","UYEPIVQISLENOL-UHFFFAOYSA-N",364532,NA,"PDBC11708","630954","Present",NA,NA
+"11709","1H-Isoindole-1,3(2H)-dione,2-[[(6-methoxy-2-benzothiazolyl)amino]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((6-Methoxy-1,3-benzothiazol-2-yl)amino)methyl)-1H-isoindole-1,3(2H)-dione",NA,"COC1=CC2=C(C=C1)N=C(S2)NCN3C(=O)C4=CC=CC=C4C3=O","RROCFEIMNKZUNH-UHFFFAOYSA-N",286039,NA,"PDBC11709","143722","Present",NA,NA
+"11710","1H-Isoindole-1-acetonitrile, 1-(4-chlorophenyl)-2,3-dihydro-3-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Isoindole-1-acetonitrile, 1-(4-chlorophenyl)-2,3-dihydro-3-oxo-",NA,"C1=CC=C2C(=C1)C(=O)NC2(CC#N)C3=CC=C(C=C3)Cl","FZWARFMCVUIAIA-UHFFFAOYSA-N",385844,NA,"PDBC11710","677242","Present",NA,NA
+"11711","1H-NAPHTH(1,2-d)IMIDAZOLE, 2-AMINO-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-95228",NA,"C1=CC=C2C(=C1)C=CC3=C2N=C(N3)N","PZUJQFOCMARCSE-UHFFFAOYSA-N",56812,NA,"PDBC11711","663633","Present",NA,NA
+"11712","1H-Naphth[2, 4,9-dihydro-1,2-dimethyl-3-(2-methylpropyl)-4,9-dioxo-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1,2-dimethyl-3-...",NA,"CC1=[N+](C2=C(N1CC(C)C)C(=O)C3=CC=CC=C3C2=O)C.[I-]","KUFZQQLYCHGYNI-UHFFFAOYSA-M",24188900,NA,"PDBC11712","80466","Present",NA,NA
+"11713","1H-Naphth[2, 4,9-dihydro-1,2-dimethyl-4,9-dioxo-3-(phenylmethyl)-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1,2-dimethyl-4,...",NA,"CC1=[N+](C2=C(N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C.[I-]","TXXSILHORNWUFQ-UHFFFAOYSA-M",24188899,NA,"PDBC11713","80465","Present",NA,NA
+"11714","1H-Naphth[2, 4,9-dihydro-1-isopropyl-3-methyl-4,9-dioxo-2-styryl-iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-isopropyl-3-m...",NA,"CC(C)N1C(=[N+](C2=C1C(=O)C3=CC=CC=C3C2=O)C)C=CC4=CC=CC=C4.[I-]","KIZCBPDDWLVNPS-IERUDJENSA-M",54605678,NA,"PDBC11714","80469","Present",NA,NA
+"11715","1H-Naphth[2,3-d]imidazole, 2-[(4-chlorophenyl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-chloro-benzyl)-1H-naphth[2,3-d]imidazole",NA,"C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC=C(C=C4)Cl","PVBAXBYVEKRZIV-UHFFFAOYSA-N",405626,NA,"PDBC11715","722996","Present",NA,NA
+"11716","1H-Naphth[2,9-dione, 2-methyl-3-[(4-nitro phenyl)methyl]-1-phenyl-, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Naphth[2,3-d]imidazole-4,9-dione, 2-methyl-3-[(4-nitr...",NA,"CC1=[N+](C2=C(N1C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)CC5=CC=C(C=C5)[N+](=O)[O-].[Br-]","XBMLGWCNBUPYMC-UHFFFAOYSA-M",24186625,NA,"PDBC11716","52745","Present",NA,NA
+"11717","1H-Naphtho[1,8a-c]furan-3(5H)-one, 7-[2-(acetyloxy)-2-(3-furanyl)ethyl]-6,6a,7,8,9,10-hexahydro-7,8-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(7,8-Dimethyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl)-1-(furan-3-yl)ethyl] acetate",NA,"CC1CCC23COC(=O)C2=CCCC3C1(C)CC(C4=COC=C4)OC(=O)C","DZAYTXGDCMMRGZ-UHFFFAOYSA-N",368920,NA,"PDBC11717","640325","Present",NA,NA
+"11718","1H-Phenanthro[9, 4,11-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Phenanthro[9,10-d]imidazole, 4,11-dimethoxy-",NA,"COC1=CC=CC2=C3C=CC=C(C3=C4C(=C21)NC=N4)OC","YHVDSLJVICOSOM-UHFFFAOYSA-N",395745,NA,"PDBC11718","700545","Present",NA,NA
+"11719","1H-Phenothiazine-3-acetamide, 2,3,4,10-tetrahydro-N-(2-methyl-5-nitrophenyl)-a,4-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methyl-5-nitrophenyl)-2-oxo-2-(4-oxo-1,2,3,10-tetrahydrophenothiazin-3-yl)acetamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)C2CCC3=C(C2=O)SC4=CC=CC=C4N3","VZAOPRINSHMOPB-UHFFFAOYSA-N",373474,NA,"PDBC11719","649829","Present",NA,NA
+"11720","1H-Phenothiazine-3-acetamide, N-(2,4-dimethylphenyl)-2,3,4,5a,9a,10-hexahydro-2,2-dimethyl-a,4-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethyl-4-oxo-3,5a,9a,10-tetrahydro-1H-phenothiazin-3-yl)-N-(2,4-dimethylphenyl)-2-oxoacetamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=O)C3=C(CC2(C)C)NC4C=CC=CC4S3)C","HTTONUYUSXNQTO-UHFFFAOYSA-N",373476,NA,"PDBC11720","649831","Present",NA,NA
+"11721","1H-Phenothiazine-3-acetamide, N-(2,5-dimethylphenyl)-2,3,4,10-tetrahydro-2,2-dimethyl-a,4-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethyl-4-oxo-3,10-dihydro-1H-phenothiazin-3-yl)-N-(2,5-dimethylphenyl)-2-oxoacetamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)C2C(=O)C3=C(CC2(C)C)NC4=CC=CC=C4S3","BSSVDPAGLPDRAK-UHFFFAOYSA-N",373480,NA,"PDBC11721","649835","Present",NA,NA
+"11722","1H-Phenothiazine-3-acetamide, N-[2,6-bis(1-methylethyl)phenyl]-2,3,4,10-tetrahydro-a,4-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2,6-Di(propan-2-yl)phenyl]-2-oxo-2-(4-oxo-1,2,3,10-tetrahydrophenothiazin-3-yl)acetamide",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C2CCC3=C(C2=O)SC4=CC=CC=C4N3","HCOPFRMPZDCQJQ-UHFFFAOYSA-N",371961,NA,"PDBC11722","646779","Present",NA,NA
+"11723","1H-Purin-6-amine, N-nitroso-N-(3-methyl-2-butenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purin-6-amine, N-nitroso-N-(3-methyl-2-butenyl)-",NA,"CC(=CCN(C1=NC=NC2=C1NC=N2)N=O)C","GPFBJOQUAMDIRH-UHFFFAOYSA-N",495897,NA,"PDBC11723","672180","Present",NA,NA
+"11724","1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)seleno]-",NA,"CN1C=NC(=C1[Se]C2=NC=NC3=C2NC=N3)[N+](=O)[O-]","YUQADPHDBUOACB-UHFFFAOYSA-N",3879067,NA,"PDBC11724","252628","Present",NA,NA
+"11725","1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[(4-oxido-4-morpholinyl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-8-[(4-oxido-4-morpholinyl)methyl]-",NA,"CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C[N+]3(CCOCC3)[O-]","IQIQWAIYWWAZAT-UHFFFAOYSA-N",374798,NA,"PDBC11725","653044","Present",NA,NA
+"11726","1H-Purine-6-carboxamide, 2-ethyl-2,9-dihydro-2-methyl-9-[(1-methylethylidene)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-9-(isopropylideneamino)-2-methyl-1H-purine-6-carboxamide",NA,"CCC1(NC2=C(C(=N1)C(=O)N)N=CN2N=C(C)C)C","MIYLUPPIFJNQHE-UHFFFAOYSA-N",135409229,NA,"PDBC11726","670263","Present",NA,NA
+"11727","1H-Purine-6-carboxamide, 9-amino-2,9-dihydro-2,2-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purine-6-carboxamide, 9-amino-2,9-dihydro-2,2-dimethyl-",NA,"CC1(NC2=C(C(=N1)C(=O)N)N=CN2N)C","XTVGJFZHAGVDMZ-UHFFFAOYSA-N",135409228,NA,"PDBC11727","670262","Present",NA,NA
+"11728","1H-Pyrazol-1-yl-N-(1H-pyrazol-1-ylmethyl)-N-(2-pyridinylmethyl)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazol-1-yl-N-(1H-pyrazol-1-ylmethyl)-N-(2-pyridinylmethyl)methanamine",NA,"C1=CC=NC(=C1)CN(CN2C=CC=N2)CN3C=CC=N3","RWCFSEZWSPFQCT-UHFFFAOYSA-N",361764,NA,"PDBC11728","625030","Present",NA,NA
+"11729","1H-Pyrazol-5-ol, 1-[(2-chlorophenoxy)acetyl]-4,5-dihydro-3,5-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazol-5-ol, 1-[(2-chlorophenoxy)acetyl]-4,5-dihydro-3,5-diphenyl-",NA,"C1C(=NN(C1(C2=CC=CC=C2)O)C(=O)COC3=CC=CC=C3Cl)C4=CC=CC=C4","YOYPQYYIQSJLJH-UHFFFAOYSA-N",367874,NA,"PDBC11729","638040","Present",NA,NA
+"11730","1H-Pyrazole, 4-chloro-1-(5-chloro-2-nitrophenyl)-3,5-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazole, 4-chloro-1-(5-chloro-2-nitrophenyl)-3,5-dimethyl-",NA,"CC1=C(C(=NN1C2=C(C=CC(=C2)Cl)[N+](=O)[O-])C)Cl","PHHBEDYSERXPLT-UHFFFAOYSA-N",382940,NA,"PDBC11730","670823","Present",NA,NA
+"11731","1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-8-yl)-5-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazole-1-carboxaldehyde, 4,5-dihydro-3-(7-hydroxy- ...",NA,"CC1=CC(=O)OC2=C1C=CC(=C2C3=NN(C(C3)C4=CC=CC=C4)C=O)O","QLTDYGIOVYGJHR-UHFFFAOYSA-N",135429970,NA,"PDBC11731","628694","Present",NA,NA
+"11732","1H-Pyrazole-1-carboximidamide, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazole-1-carboximidamide, 4-[[(aminoiminomethyl)hyd...",NA,"C1=C(C=NN1C(=N)N)C=NN=C(N)N.Cl","CTPSKPNSTAAWIN-QVBTUFJSSA-N",5771696,NA,"PDBC11732","607794","Present",NA,NA
+"11733","1H-Pyrazole-3-one,3-dihydro-1,5-dimethyl-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazole-3-one, 4-[[[4-[bis(2-cyanoethyl)amino]phenyl...",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC3=CC=C(C=C3)N(CCC#N)CCC#N","ZOESOGSBSIEMBN-UHFFFAOYSA-N",359417,NA,"PDBC11733","620280","Present",NA,NA
+"11734","1H-Pyrazole-5-carboxylic acid,5-dihydro-1,3-diphenyl-, potassium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazole-5-carboxylic acid, 4,5-dihydro-1,3-diphenyl-...",NA,"C1C(N(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O.[K+]","RNKSDEIAWMFUAX-UHFFFAOYSA-N",54610718,NA,"PDBC11734","239397","Present",NA,NA
+"11735","1H-Pyrazole-5-propanamide, 4-ethyl-1-methyl-N,N-bis(phenylmethyl)-3-propyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazole-5-propanamide, 4-ethyl-1-methyl-N,N-bis(phenylmethyl)-3-propyl-",NA,"CCCC1=NN(C(=C1CC)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)C","SCSPTDHDSPBXHJ-UHFFFAOYSA-N",360345,NA,"PDBC11735","622393","Present",NA,NA
+"11736","1H-Pyrazolo[3, 4-amino-1-(p-chlorobenzyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4-d]pyrimidine, 4-amino-1-(p-chlorobenzyl)-",NA,"C1=CC(=CC=C1CN2C3=NC=NC(=C3C=N2)N)Cl","BHHBIEOLRILLOB-UHFFFAOYSA-N",247946,NA,"PDBC11736","63629","Present",NA,NA
+"11737","1H-Pyrazolo[3,4-b]quinoxalin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cdk1/5 Inhibitor",NA,"C1=CC2=NC3=C(NN=C3N=C2C=C1)N","DWHVZCLBMTZRQM-UHFFFAOYSA-N",438981,NA,"PDBC11737","693868","Present",NA,NA
+"11738","1H-Pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazoloadenine",NA,"C1=NNC2=NC=NC(=C21)N","LHCPRYRLDOSKHK-UHFFFAOYSA-N",75420,NA,"PDBC11738","1393","Present",NA,NA
+"11739","1H-Pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-(2-propynyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4-d]pyrimidine, 4-(methylthio)-1-(2-propynyl)-",NA,"CSC1=NC=NC2=C1C=NN2CC#C","LZIZCEMJICXOAR-UHFFFAOYSA-N",396580,NA,"PDBC11739","703069","Present",NA,NA
+"11740","1H-Pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-6-amine, 4,5,6-trihydro-5-imino-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[4',3':5,6]pyrano[2,3-d]pyrimidin-6-amine, 4,...",NA,"COC1=C(C=C(C=C1)C2C3=C(N=CN(C3=N)N)OC4=C2C(=NN4C5=CC=CC=C5)C6=CC=CC=C6)OC","TYVMABLKRAPPID-UHFFFAOYSA-N",391832,NA,"PDBC11740","691419","Present",NA,NA
+"11741","1H-Pyrido(3,4-b)indole, 2,3,4,9-tetrahydro-2-(1-oxo-3-(1-piperidinyl)propyl)-1-(3-pyridinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro-2-[1-oxo-3-(1...",NA,"C1CCN(CC1)CCC(=O)N2CCC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35","QSBRTZBQSHLYRI-UHFFFAOYSA-N",365605,NA,"PDBC11741","633406","Present",NA,NA
+"11742","1H-Pyrido[2,2,4][triazepin-1-one, 2,3-dihydro-4-[(morpholinoacetyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrido[2,3-e][1,2,4][triazepin-1-one, 2,3-dihydro-4- ...",NA,"C1COCCN1CC(=O)NC2=NC3=C(C=CC=N3)C(=O)NN2","DKQAGPLBXLAEHV-UHFFFAOYSA-N",379034,NA,"PDBC11742","662796","Present",NA,NA
+"11743","1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2-[4-(4-phenyl-1-piperazinyl)butyl]-9-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-2-[4-(4-...",NA,"CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCN(CC4)C5=CC=CC=C5","VCJFHCNTZJFPPV-UHFFFAOYSA-N",365677,NA,"PDBC11743","633530","Present",NA,NA
+"11744","1H-Pyrimido[4,5-b]quinoline-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrimido[4,5-b]quinoline-2,4-dithione",NA,"C1=CC=C2C(=C1)C=C3C(=N2)NC(=S)NC3=S","BLAIYDTVGVUIMQ-UHFFFAOYSA-N",5472868,NA,"PDBC11744","722222","Present",NA,NA
+"11745","1H-Pyrrole, 3,4-bis[(E)-2-cyanoethenyl]-1-[(4-methylphenyl)sulfonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole, 3,4-bis[(E)-2-cyanoethenyl]-1-[(4-methylphenyl)sulfonyl]-",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C=CC#N)C=CC#N","KVVBLFSWIGOMAK-ZUVMSYQZSA-N",5466840,NA,"PDBC11745","644197","Present",NA,NA
+"11746","1H-Pyrrole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1-(phenylmethyl)-2-(2-thienyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole, 3-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-1-(phenylmethyl)-2-(2-thienyl)-",NA,"C1OC2=C(O1)C=C(C=C2)C3=C(N(C(=C3)C4=CC=C(C=C4)Br)CC5=CC=CC=C5)C6=CC=CS6","KLYOMVGWVKCGRD-UHFFFAOYSA-N",376700,NA,"PDBC11746","657744","Present",NA,NA
+"11747","1H-Pyrrole, 3-cyclohexyl-4-(2-cyclohexyl-1-nitroethenyl)-2-[(4-methylphenyl)sulfonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole, 3-cyclohexyl-4-(2-cyclohexyl-1-nitroethenyl)...",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CN2)C(=CC3CCCCC3)[N+](=O)[O-])C4CCCCC4","KVDQZTZZWPUXNM-XQNSMLJCSA-N",5469462,NA,"PDBC11747","688531","Present",NA,NA
+"11748","1H-Pyrrole-1-butanamide, N-[5-[[[5-[[[5-[[[3-(dimethylamino)propyl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]amino]carbonyl]-1-methyl-1H-pyrrol-3-yl]-2,3-bis(hydroxymethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[2,3-Bis(hydroxymethyl)pyrrol-1-yl]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCCN4C=CC(=C4CO)CO","SLUKQHRPTGAJFO-UHFFFAOYSA-N",384021,NA,"PDBC11748","673131","Present",NA,NA
+"11749","1H-Pyrrole-2,5-dione, 3-beta-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"showdomycin",NA,"C1=C(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","FFLUMYXAPXARJP-UHFFFAOYSA-N",261131,NA,"PDBC11749","93047","Present",NA,NA
+"11750","1H-Pyrrole-2-carboxamide,3,5,11a-tetrahydro-7-methoxy-5-oxo-1H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]oxy]butyl]amino]-1H-pyrrol-2-yl]carbonyl]amino]-, (11aS)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-2-carboxamide, N-[3-(dimethylamino)propyl]-1-...",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC","JJTVXTNABVMUMY-DEOSSOPVSA-N",398964,NA,"PDBC11750","709358","Present",NA,NA
+"11751","1H-Pyrrole-2-carboxylic acid, 1-(1H-pyrrol-1-ylcarbonyl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-2-carboxylic acid, 1-(1H-pyrrol-1-ylcarbonyl)-, methyl ester",NA,"COC(=O)C1=CC=CN1C(=O)N2C=CC=C2","YQMHQXFIFFTEBQ-UHFFFAOYSA-N",359023,NA,"PDBC11751","619380","Present",NA,NA
+"11752","1H-Pyrrole-2-carboxylic acid, 1-[[1-[(2,5-dihydro-1H-pyrrol-2-yl)carbonyl]-2,5-dihydro-1H-pyrrol-2-yl]carbonyl]-2,5-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[1-(2,5-Dihydro-1H-pyrrole-2-carbonyl)-2,5-dihydropyrrole-2-carbonyl]-2,5-dihydropyrrole-2-carboxylic acid",NA,"C1C=CC(N1)C(=O)N2CC=CC2C(=O)N3CC=CC3C(=O)O","WXLLNXVAJINDCK-UHFFFAOYSA-N",381711,NA,"PDBC11752","668569","Present",NA,NA
+"11753","1H-Pyrrole-2-carboxylic acid, ethyl ester, (E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-2-carboxylic acid, 4-(3-ethoxy-3-oxo-1-propen...",NA,"CCOC(=O)C=CC1=CNC(=C1)C(=O)OCC","ZXSDYTWAFDUANC-AATRIKPKSA-N",5383640,NA,"PDBC11753","177988","Present",NA,NA
+"11754","1H-Pyrrole-3,4-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-39138",NA,"C1=C(C(=CN1)C(=O)O)C(=O)O","JFVDNCRMBALUKH-UHFFFAOYSA-N",361843,NA,"PDBC11754","625159","Present",NA,NA
+"11755","1H-Pyrrole-3,4-dimethanol, a3,a4,2,5-tetraphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[Hydroxy(phenyl)methyl]-2,5-diphenyl-1H-pyrrol-3-yl]-phenyl-methanol",NA,"C1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=CC=C3)C(C4=CC=CC=C4)O)C(C5=CC=CC=C5)O","VZLFGWLQHXCHJA-UHFFFAOYSA-N",363020,NA,"PDBC11755","627564","Present",NA,NA
+"11756","1H-Pyrrole-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-3-carbonitrile, 2-amino-4-(4-chlorophenyl)-1-(4-methylphenyl)-",NA,"CC1=CC=C(C=C1)N2C=C(C(=C2N)C#N)C3=CC=C(C=C3)Cl","YDTIFVONFDASLJ-UHFFFAOYSA-N",381120,NA,"PDBC11756","667382","Present",NA,NA
+"11757","1H-Pyrrolizine-6,7-dimethanol, 5-(3,4-dichlorophenyl)-2,...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrolizine-6,7-dimethanol, 5-(3,4-dichlorophenyl)-2,...",NA,NA,NA,NA,NA,"PDBC11757","352752","Present",NA,NA
+"11758","1H-Pyrrolo[3, 1-(2-deoxy-B-D-ribofuranosyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrolo[3,2-c]pyridine, 1-(2-deoxy-B-D-ribofuranosyl)-",NA,"C1C(C(OC1N2C=CC3=C2C=CN=C3)CO)O","YEWRIVWHPQXYGF-UHFFFAOYSA-N",363430,NA,"PDBC11758","628341","Present",NA,NA
+"11759","1H-Pyrrolo[3, 1-methyl-2-(1-phenylethenyl)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrolo[3,2-c]pyridin-4(5-H)-one, 1-methyl-2-(1-pheny...",NA,"CN1C2=C(C=C1C(=C)C3=CC=CC=C3)C(=O)NC=C2","VDDJUGOGFUGQGC-UHFFFAOYSA-N",360609,NA,"PDBC11759","622868","Present",NA,NA
+"11760","1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-2-(2-furanyl)-7,9b-dihydro-7-(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(4-Chlorophenyl)-4-(furan-2-yl)-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene",NA,"CC1=CC=C(C=C1)N2C=C(C3=C2N=CN4C3N=C(N4)C5=CC=CO5)C6=CC=C(C=C6)Cl","GYFMTXCXBKJHRE-UHFFFAOYSA-N",381125,NA,"PDBC11760","667387","Present",NA,NA
+"11761","1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-7,9b-dihydro-2-methyl-7-(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(4-Chlorophenyl)-4-methyl-10-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene",NA,"CC1=CC=C(C=C1)N2C=C(C3=C2N=CN4C3N=C(N4)C)C5=CC=C(C=C5)Cl","CBZMMDNGDTVCAU-UHFFFAOYSA-N",381123,NA,"PDBC11761","667385","Present",NA,NA
+"11762","1H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 9-(4-chlorophenyl)-7,9b-dihydro-7-(4-methylphenyl)-2-(2-thienyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(4-Chlorophenyl)-10-(4-methylphenyl)-4-thiophen-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),3,7,11-tetraene",NA,"CC1=CC=C(C=C1)N2C=C(C3=C2N=CN4C3N=C(N4)C5=CC=CS5)C6=CC=C(C=C6)Cl","GNLUCKCNLMLWJS-UHFFFAOYSA-N",381124,NA,"PDBC11762","667386","Present",NA,NA
+"11763","1H-Tetrazol-5-amine, N-methyl-1-beta-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Tetrazol-5-amine, N-methyl-1-.beta.-D-ribofuranosyl-",NA,"CNC1=NN=NN1C2C(C(C(O2)CO)O)O","UCKXZCWXRRSJMW-UHFFFAOYSA-N",371130,NA,"PDBC11763","645090","Present",NA,NA
+"11764","1H-Tetrazole-1-ethanol, 5-amino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(2-hydroxyethyl)tetrazole",NA,"C(CO)N1C(=NN=N1)N","MDLBOPYCJZSTMS-UHFFFAOYSA-N",323178,NA,"PDBC11764","282032","Present",NA,NA
+"11765","1M-548S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1M-548S",NA,"C1CN2C(=O)C3=CC=CC=C3C2(N1)C4=CC=C(C=C4)F","HDPOBIOWQBVXAS-UHFFFAOYSA-N",388688,NA,"PDBC11765","683712","Present",NA,NA
+"11766","1N-[3-(7-Methoxy-5,3,5,11,11a-hexahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy)propyl]-2-[8-benzyloxy-7-metoxy-5-oxo-(11aS)-1H,2H,3H,5H-bezo[e]pyrrolo[1,2-a][1,4]diazepin-2-yliden]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1N-[3-(7-methoxy-5,11-dioxo-2,3,5,11,11a-hexahydro-1H-be...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)OCCCNC(=O)C=C4CC5C=NC6=CC(=C(C=C6C(=O)N5C4)OC)OCC7=CC=CC=C7","ZIFSFITYFDYQKI-HRICNGLHSA-N",24202799,NA,"PDBC11766","725982","Present",NA,NA
+"11767","1N-[4-Chloro-2-(2-chloro benzoyl)phenyl]-2-{4-[3-(4-0x0-2-phenyl-4-H-3-chromenyloxy)p ropyl}hexahydro-1-pyrazinyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1N-[4-chloro-2-(2-chloro benzoyl)phenyl]-2-{4-[3-(4-0x0-...",NA,"C1CN(CCN1CCCOC2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4)CC(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6Cl","ULIQALYPWBJSJA-UHFFFAOYSA-N",24205570,NA,"PDBC11767","736178","Present",NA,NA
+"11768","1N-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(3-{4-(3-(4-flu orophenyl)-3-oxo-(E)-1-propenyl]-2-methoxyphenoxy}propyl)hex ahydro-1-pyrazinyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(3-{4-(3-(4...",NA,"COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)F)OCCCN3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5Cl","OJHVNDYXOSBOPX-VIZOYTHASA-N",25030563,NA,"PDBC11768","740387","Present",NA,NA
+"11769","1N-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-2-[7-methoxy-5-oxo (11a s)-2,5,11 a tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy]ac etamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[7-methoxy-5-o...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCC(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5Cl","LGKFASWGMBAFRK-UHFFFAOYSA-N",24205565,NA,"PDBC11769","736168","Present",NA,NA
+"11770","1N-[Chloro-2-(2-chloro benzoyl)phenyl]-2-(4-{[2-tert-butyl) imidazo[1,2-a] pyridin-8-yl]corbonyl}piperazino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1N-[chloro-2-(2-chloro benzoyl)phenyl]-2-(4-{ [2-tert-bu...",NA,"CC(C)(C)C1=CN2C=CC=C(C2=N1)C(=O)N3CCN(CC3)CC(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5Cl","BYCSNYSLYPDMQH-UHFFFAOYSA-N",25030564,NA,"PDBC11770","743120","Present",NA,NA
+"11771","1N-{2-[7-Methoxy-5-oxo-(11aS)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yloxy]ethyl}-2-[8-benzyloxy-7-methoxy-5-oxo-(11aS)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrro lo[1,2-a][1,4]diazepin-2-yliden]acetamide.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1N-{2-[7-methoxy-5-oxo-(11aS)-2,3,5,11a-tetrahydro-1H-be...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCNC(=O)C=C4CC5C=NC6=CC(=C(C=C6C(=O)N5C4)OC)OCC7=CC=CC=C7","FAXFZRWLMDMLIN-SPONOFJTSA-N",10032352,NA,"PDBC11771","728035","Present",NA,NA
+"11772","1NVW4ER6VP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1NVW4ER6VP",NA,"CC1=CN2C(=NC(=C2N=O)C3=CC=CC=C3)C=C1","ZQKIQHFLDSUHIJ-UHFFFAOYSA-N",339979,NA,"PDBC11772","369061","Present",NA,NA
+"11773","1R, Perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1R,5R-8-(E)-Benzylidene-5-(3-hydroxyphenyl)-2-methyl-2-a...",NA,"CN1CCC2(CC1C(=CC3=CC=CC=C3)C(=O)C2)C4=CC(=CC=C4)O.OCl(=O)(=O)=O","SCFMWKWWDWLGMY-CHDCOBPDSA-N",45489958,NA,"PDBC11773","678344","Present",NA,NA
+"11774","1R,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one, hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1R,5R-8-(E)-(3,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl...",NA,"CN1CCC2(CC1C(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)C2)C4=CC(=CC=C4)O.Br","FMEWFJXMDBEOSS-SFDONHHISA-N",45489960,NA,"PDBC11774","678346","Present",NA,NA
+"11775","1S, Perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1S,5S-8-(E)-Benzylidene-5-(3-hydroxyphenyl)-2-methyl-2-a...",NA,"CN1CCC2(CC1C(=CC3=CC=CC=C3)C(=O)C2)C4=CC(=CC=C4)O.OCl(=O)(=O)=O","SCFMWKWWDWLGMY-QCXVAGDHSA-N",45489959,NA,"PDBC11775","678345","Present",NA,NA
+"11776","1S,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one, hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1S,5S-8-(E)-(3,4-Dichlorobenzylidene)-5-(3-hydroxyphenyl...",NA,"CN1CCC2(CC1C(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)C2)C4=CC(=CC=C4)O.Br","FMEWFJXMDBEOSS-ISNCNZHLSA-N",45489961,NA,"PDBC11776","678347","Present",NA,NA
+"11777","1X-0886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1X-0886",NA,"COC1=CC2=C(C=C1)NC=C2C=C3C4=CC=CC=C4NC3=O","OEJQBEJOXJYPRT-NVNXTCNLSA-N",6516560,NA,"PDBC11777","740939","Present",NA,NA
+"11778","1[(4-Benzyloxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-dio late",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1[(4-benzyloxyCarbonyl)piperazine-1-yl]diazene-1-ium-1,2...",NA,"C1CN(CCN1C(=O)OCC2=CC=CC=C2)[N+](=NOC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])[O-]","IQCWTYLWIFKIDP-CLCOLTQESA-N",11626484,NA,"PDBC11778","731700","Present",NA,NA
+"11779","1[(4-n-Butyloxycarbonyl)piperazine-1-yl]diazene-1-ium-1,2-di olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1[(4-n-butyloxyCarbonyl)piperazine-1-yl]diazene-1-ium-1,...",NA,"CCCCOC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]","YAIVARQXVANOGR-PGMHBOJBSA-N",11495269,NA,"PDBC11779","731701","Present",NA,NA
+"11780","1a,2,7,7a-Tetrahydronaphtho[2,3-b]oxirene-2,7-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1a,2,7,7a-Tetrahydronaphtho[2,3-b]oxirene-2,7-diol",NA,"C1=CC=C2C(C3C(O3)C(C2=C1)O)O","UBZIRRGOXVDJQB-UHFFFAOYSA-N",380689,NA,"PDBC11780","666393","Present",NA,NA
+"11781","1a-Bromo-3,6-dimethoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-2,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1a-Bromo-3,6-dimethoxy-1a,7a-dihydro-1H-cyclopropa[b]naphthalene-2,7-dione",NA,"COC1=C2C(=O)C3CC3(C(=O)C2=C(C=C1)OC)Br","JBWKGXGTUYAQNA-UHFFFAOYSA-N",361664,NA,"PDBC11781","624882","Present",NA,NA
+"11782","1alpha,2alpha:3alpha,4alpha:5beta,6beta:7beta,8beta-Tetraepoxycyclooctane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705028///NSC705029",NA,"C12C3C(O3)C4C(O4)C5C(C1O2)O5","HJMUDJLOEPXOET-UHFFFAOYSA-N",397375,NA,"PDBC11782","705028///705029","Present",NA,NA
+"11783","1beta,5alpha-Dihydroxy-3beta,4beta-(isopropylidenedioxy)cyclohexane-1-methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624354",NA,"CC1(OC2CC(CC(C2O1)O)(CO)O)C","CZCDWUBGKAXDNN-BDNRQGISSA-N",6711371,NA,"PDBC11783","624354","Present",NA,NA
+"11784","1beta-Polygamain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1.beta.-polygamain",NA,"C1C2COC(=O)C2C(C3=CC4=C(C=C31)OCO4)C5=CC6=C(C=C5)OCO6","SCTKDFCQZSBHEE-NXXSPTCGSA-N",386603,NA,"PDBC11784","679051","Present",NA,NA
+"11785","1h-Naphtho[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.635.157H",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=CN3","ABVGDXLCJRFCOD-UHFFFAOYSA-N",225436,NA,"PDBC11785","14771","Present",NA,NA
+"11786","1h-Pyrazolo[3,4-d]pyrimidine-3-carbothioamide,4,6-bis(methylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1h-Pyrazolo[3,4-d]pyrimidine-3-carbothioamide,4,6-bis(methylthio)-",NA,"CSC1=NC(=NC2=NNC(=C21)C(=S)N)SC","HTSSLXOUAQXTGD-UHFFFAOYSA-N",3786326,NA,"PDBC11786","649181","Present",NA,NA
+"11787","1st Precursor Intermediate to TDP 665759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1st Precursor Intermediate to TDP 665759",NA,"CC(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N2C(C(=O)NC3=C(C2=O)C=C(C=C3)I)C4=CC=C(C=C4)Cl","XYUHIXKFZFMJSI-XUSGNXJCSA-N",155805350,NA,"PDBC11787","756877","Present",NA,NA
+"11788","2 [5(Furfuryl-2-yl.1,1-dicyanoethylene)p-phenylene]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2 [5(furfuryl- 2- yl.1,1 - dicyanoethylene)p - phenylene...",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(O4)C=C(C#N)C#N","QFXCZOWOVFKMGU-UHFFFAOYSA-N",24203186,NA,"PDBC11788","727092","Present",NA,NA
+"11789","2'(Methyl sulfonyl)-17alpha-aza-D-homo-5-androsteno[17,16-c]pyrazol-3beta-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'(methyl sulfonyl)-17.alpha.-aza-D-homo-5-androsteno[17...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C(N4)N(N=C5)S(=O)(=O)C)C)C","JRKRLCJOXVCTJU-QPJCPEQFSA-N",383423,NA,"PDBC11789","671762","Present",NA,NA
+"11790","2', 3'-Dideoxy-tiazofurin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2', 3'-Dideoxy-tiazofurin",NA,"C1CC(OC1CO)C2=NC(=CS2)C(=O)N","BOSXZRVOIJIWQV-UHFFFAOYSA-N",363830,NA,"PDBC11790","629048","Present",NA,NA
+"11791","2',3',4',5,7-Pentamethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flavonid, 6[2,3]",NA,"COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC","XCRISFHOPWXTMT-UHFFFAOYSA-N",373146,NA,"PDBC11791","649089","Present",NA,NA
+"11792","2',3',4',5-Tetramethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3',4',5-Tetramethoxyflavone",NA,"COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=CC=C3OC)OC)OC","AJDAQJMIELSSPG-UHFFFAOYSA-N",373140,NA,"PDBC11792","649083","Present",NA,NA
+"11793","2',3',4'-Trimethoxy-5-hydroxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3',4'-Trimethoxy-5-hydroxyflavone",NA,"COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(C=CC=C3O2)O)OC)OC","YLHALJZNKVUBGX-UHFFFAOYSA-N",373139,NA,"PDBC11793","649082","Present",NA,NA
+"11794","2',3',5'-Triacetyluridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC79269",NA,"CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C","AUFUWRKPQLGTGF-UHFFFAOYSA-N",254731,NA,"PDBC11794","79269","Present",NA,NA
+"11795","2',3'-Anhydroadenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adenine, 9-(2,3-Anhydro-.beta.-D-ribofuranosyl)-",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C4C(O4)C(O3)CO)N","RANSNKOSWWZYEJ-UHFFFAOYSA-N",253777,NA,"PDBC11795","615425","Present",NA,NA
+"11796","2',3'-Didehydro-2',3'-dideoxyguanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3'-Didehydro-2',3'-dideoxyguanosine",NA,"C1=CC(OC1CO)N2C=NC3=C2N=C(NC3=O)N","FZYYPNOHKXTKLI-UHFFFAOYSA-N",135431125,NA,"PDBC11796","623156","Present",NA,NA
+"11797","2',3'-Dideoxy-3'-fluorocytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3'-dideoxy-3'-fluorocytidine",NA,"C1C(C(OC1N2C=CC(=NC2=O)N)CO)F","HNSUDSIHCJEYQG-UHFFFAOYSA-N",356019,NA,"PDBC11797","610998","Present",NA,NA
+"11798","2',3'-O-Isopropylidenecytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3'-O-Isopropylidenecytidine",NA,"CC1(OC2C(OC(C2O1)N3C=CC(=NC3=O)N)CO)C","UBGDNZQSYVIVHU-UHFFFAOYSA-N",351235,NA,"PDBC11798","520039","Present",NA,NA
+"11799","2',3'-d]Imidazole-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Amino-8,12-dimethyl-13-oxo-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaene-10-carbonitrile",NA,"CC1=C(C(=C2N(C3=C(N2C1=O)C=CC=N3)C)C#N)N","BLJVOKDPRPCTRV-UHFFFAOYSA-N",374124,NA,"PDBC11799","651435","Present",NA,NA
+"11800","2',3,4,5-Tetramethoxybibenzyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3,4,5-Tetramethoxybibenzyl",NA,"COC1=CC=CC=C1CCC2=CC(=C(C(=C2)OC)OC)OC","GJKHXLPDHHGPTB-UHFFFAOYSA-N",368066,NA,"PDBC11800","638391","Present",NA,NA
+"11801","2',4',5'-Trichloroglyoxylanilide oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',4',5'-TRICHLOROGLYOXYLANILIDE OXIME",NA,"C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)C=NO","NPRMLBHENAYKIM-KGVSQERTSA-N",9614316,NA,"PDBC11801","157336","Present",NA,NA
+"11802","2',4'-Dichlorochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT016285",NA,"C1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","MAHZJRXLVQTYEA-RMKNXTFCSA-N",5388428,NA,"PDBC11802","635963","Present",NA,NA
+"11803","2',4'-Dimethoxy-2-fluoro-4,5-dihydroxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',4'-Dimethoxy-2-fluoro-4,5-dihydroxychalcone",NA,"COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2F)O)O)OC","KLCQVTRDBZJWCR-ZZXKWVIFSA-N",5471281,NA,"PDBC11803","710265","Present",NA,NA
+"11804","2',4'-Dimethoxy-3,4-dihydroxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HX-0835",NA,"COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)O)O)OC","XEFNHJDWTZIITP-XVNBXDOJSA-N",5471280,NA,"PDBC11804","710264","Present",NA,NA
+"11805","2',4'-Dimethylacetophenone thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-(2,4-Dimethylphenyl)ethylideneamino]thiourea",NA,"CC1=CC(=C(C=C1)C(=NNC(=S)N)C)C","LTHOLBGWPSXPJV-UKTHLTGXSA-N",9569887,NA,"PDBC11805","622701","Present",NA,NA
+"11806","2',4,4'-Trichlorochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT016286",NA,"C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl","TXUDDFHDDNTVBF-FPYGCLRLSA-N",24203886,NA,"PDBC11806","729973","Present",NA,NA
+"11807","2',4]Thiazinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-ethylenediquino[3,2-b",NA,"C1C[N+]2=C3N1C4=NC5=CC=CC=C5C=C4SC3=CC6=CC=CC=C62.[Cl-]","WXRYUBHDCNNDGA-UHFFFAOYSA-M",16680184,NA,"PDBC11807","737216","Present",NA,NA
+"11808","2',6'-Dibromo-2-(methoxymethyl)spiro[7,8-dihydro-6H-thieno[3,2-g]quinoline-5,4'-cyclohexa-2,5-diene]-1',4,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',6'-Dibromo-2-(methoxymethyl)spiro[7,8-dihydro-6H-thieno[3,2-g]quinoline-5,4'-cyclohexa-2,5-diene]-1',4,9-trione",NA,"COCC1=CC2=C(S1)C(=O)C3=C(C2=O)C4(CCN3)C=C(C(=O)C(=C4)Br)Br","CUYILCDOWFOPRK-UHFFFAOYSA-N",375900,NA,"PDBC11808","656211","Present",NA,NA
+"11809","2',6'-Dibromo-20-hydroxyspiro[2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,19-nonaene-18,4'-cyclohexa-2,5-diene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',6'-Dibromo-20-hydroxyspiro[2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9(21),10,12,14,19-nonaene-18,4'-cyclohexa-2,5-diene]-1'-one",NA,"C1CN=C2C(=C(C3=NC4=CC=CC=C4C5=C3C2=NC=C5)O)C16C=C(C(=O)C(=C6)Br)Br","ILLNNPOUNWULRF-UHFFFAOYSA-N",135968227,NA,"PDBC11809","719979","Present",NA,NA
+"11810","2',6'-Dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',6'-Dibromospiro[1,5,6,7-tetrahydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1',4,9-trione",NA,"C1CN=C2C(=C(C3=NC=NC3=C2O)O)C14C=C(C(=O)C(=C4)Br)Br","IATLONPIMRSRSI-UHFFFAOYSA-N",383052,NA,"PDBC11810","671096","Present",NA,NA
+"11811","2',6'-Dibromospiro[2,3-dihydro-1H-benzo[g]quinoline-4,4'-cyclohexa-2,5-diene]-1',5,10-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',6'-Dibromospiro[2,3-dihydro-1H-benzo[g]quinoline-4,4'-cyclohexa-2,5-diene]-1',5,10-trione",NA,"C1CNC2=C(C13C=C(C(=O)C(=C3)Br)Br)C(=O)C4=CC=CC=C4C2=O","MOZNFJNMAYKYLT-UHFFFAOYSA-N",373332,NA,"PDBC11811","649491","Present",NA,NA
+"11812","2',6'-Dibromospiro[7,8-dihydro-6H-pyrido[2,3-g]quinoline-9,4'-cyclohexa-2,5-diene]-1',5,10-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',6'-Dibromospiro[7,8-dihydro-6H-pyrido[2,3-g]quinoline-9,4'-cyclohexa-2,5-diene]-1',5,10-trione",NA,"C1CNC2=C(C13C=C(C(=O)C(=C3)Br)Br)C(=O)C4=C(C2=O)C=CC=N4","ASSIIERDRZXACN-UHFFFAOYSA-N",383051,NA,"PDBC11812","671095","Present",NA,NA
+"11813","2',6'-Dibromospiro[8,9-dihydro-7H-pyrido[3,2-g]quinoline-6,4'-cyclohexa-2,5-diene]-1',5,10-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',6'-Dibromospiro[8,9-dihydro-7H-pyrido[3,2-g]quinoline-6,4'-cyclohexa-2,5-diene]-1',5,10-trione",NA,"C1CNC2=C(C13C=C(C(=O)C(=C3)Br)Br)C(=O)C4=C(C2=O)N=CC=C4","KEODCUBSPDJSPN-UHFFFAOYSA-N",383845,NA,"PDBC11813","672556","Present",NA,NA
+"11814","2',6'-Dichloro-4,9-dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',6'-Dichloro-4,9-dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one",NA,"C1CN=C2C(=C(C3=NC=NC3=C2O)O)C14C=C(C(=O)C(=C4)Cl)Cl","VHJRQNSWUPVHOH-UHFFFAOYSA-N",386838,NA,"PDBC11814","679561","Present",NA,NA
+"11815","2',6-Diyl)diimino]-3',3''-dipropyl-1,3-dithiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',2'' - [(Acridin-3,6-diyl)diimino]- 3',3'' - dipropyl ...",NA,"CCCN1C(=O)CSC1=NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)N=C5N(C(=O)CS5)CCC.Cl","JOMNMTLQPFIYRF-UHFFFAOYSA-N",45028644,NA,"PDBC11815","743549","Present",NA,NA
+"11816","2'-(1,7-Octadiynyl)-alpha-diazoacetophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-1-[2-(octa-1,7-diyn-1-yl)phenyl]ethenolate",NA,"C#CCCCCC#CC1=CC=CC=C1C(=O)C=[N+]=[N-]","NORICHGVOPQTSI-UHFFFAOYSA-N",373284,NA,"PDBC11816","649434","Present",NA,NA
+"11817","2'-(2-Oxo-2-ethoxyethyl)-1,3,4,9-tetrahydrospiro[2H-carbazole-2,3'-indoline]-1-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-ethoxy-2-oxoethyl)spiro[1,2-dihydroindole-3,2'-1,3,4,9-tetrahydrocarbazole]-1'-carboxylate",NA,"CCOC(=O)CC1C2(CCC3=C(C2C(=O)OCC)NC4=CC=CC=C34)C5=CC=CC=C5N1","GUADCCGSSHGVIH-UHFFFAOYSA-N",403940,NA,"PDBC11817","719706","Present",NA,NA
+"11818","2'-(3-Chloropropylthio)cinnamanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-(3-Chloropropylthio)cinnamanilide",NA,"C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2SCCCCl","WWXCUUWPGWXVQX-VAWYXSNFSA-N",5469316,NA,"PDBC11818","685709","Present",NA,NA
+"11819","2'-(7-Fluoro-9H-fluoren-2-ylcarbamoyl)biphenyl-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-(7-Fluoro-9H-fluoren-2-ylcarbamoyl)biphenyl-2-carboxy...",NA,"C1C2=C(C=CC(=C2)NC(=O)C3=CC=CC=C3C4=CC=CC=C4C(=O)O)C5=C1C=C(C=C5)F","IKHLOSVJEXMGIO-UHFFFAOYSA-N",278710,NA,"PDBC11819","128598","Present",NA,NA
+"11820","2'-(Acetoxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,7-Dimethoxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methyl acetate",NA,"CC(=O)OCC1=NC2=C(C=C(C(=C2N1)OC)C3=NC4=C(N3)C=C(C=C4)N5CCN(CC5)C)OC","GVKIVSQWTAGXKY-UHFFFAOYSA-N",398958,NA,"PDBC11820","709342","Present",NA,NA
+"11821","2'-(Diethylaminomethyl)-(Z)-combrestastatin A-4, hydrochloride[1:1]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-(Diethylaminomethyl)-(Z)-combrestastatin A-4, hydroch...",NA,"CCN(CC)CC1=C(C=CC(=C1O)OC)C=CC2=CC(=C(C(=C2)OC)OC)OC.Cl","ODKVLOQXCUCWSB-KVVVOXFISA-N",5467057,NA,"PDBC11821","647247","Present",NA,NA
+"11822","2'-(Ethoxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Ethoxymethyl)-4,7-dimethoxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole",NA,"CCOCC1=NC2=C(C=C(C(=C2N1)OC)C3=NC4=C(N3)C=C(C=C4)N5CCN(CC5)C)OC","SMFACUVFCSDDLD-UHFFFAOYSA-N",398957,NA,"PDBC11822","709341","Present",NA,NA
+"11823","2'-(Furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-(Furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,"C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CO4)(C5=CC=CO5)O","QOIBTJCCEGZCMA-UHFFFAOYSA-N",388191,NA,"PDBC11823","682759","Present",NA,NA
+"11824","2'-(Hydroxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,7-Dimethoxy-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]methanol",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=C5C(=C4OC)NC(=N5)CO)OC","SBFWEGKJVWLORP-UHFFFAOYSA-N",398959,NA,"PDBC11824","709343","Present",NA,NA
+"11825","2'-(Methoxymethyl)-4',7'-dimethoxy-5-(4-methylpiperazino)-2,5'-bi(1H-benzimidazole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Dimethoxy-2-(methoxymethyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC(=C5C(=C4OC)NC(=N5)COC)OC","RLUIGVFSEGETHV-UHFFFAOYSA-N",398956,NA,"PDBC11825","709340","Present",NA,NA
+"11826","2'-(Methyl sulfonyl)-4-aza-5alpha-androstano[3,2-c]pyrazol-17beta-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-(methyl sulfonyl)-4-aza-5.alpha.-androstano[3,2-c]pyr...",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC5=C(N4)N(N=C5)S(=O)(=O)C)C)C","KBNGFJCZEJFHKW-MEOCLINRSA-N",383422,NA,"PDBC11826","671761","Present",NA,NA
+"11827","2'-Aminopyrimidinoestra-1,5(10),16-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-aminopyrimidinoestra-1,3,5(10),16-tetraene",NA,"CC12CCC3C(C1CC4=CN=C(N=C24)N)CCC5=C3C=CC(=C5)O","BNIPZMVTDDEXPL-WWNBULGVSA-N",406871,NA,"PDBC11827","725171","Present",NA,NA
+"11828","2'-Azido-2'-deoxycytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Azido-2'-deoxycytidine",NA,"C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)N=[N+]=[N-]","FEOYKPQEERVCAV-UHFFFAOYSA-N",386488,NA,"PDBC11828","678532","Present",NA,NA
+"11829","2'-Azido-2'-deoxyuridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Azido-2'-deoxyuridine",NA,"C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]","MRUKYOQQKHNMFI-UHFFFAOYSA-N",386489,NA,"PDBC11829","678533","Present",NA,NA
+"11830","2'-Azido-2-butyl-pyrido(1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Azido-2-butyl-pyrido(1,2-e)carbazol-1,3-dione",NA,"CCCCC1(C(=O)C2C=CC=C3C2N(C1=O)C4=CC=CC=C34)N=[N+]=[N-]","KNJMPWFRRBMENG-UHFFFAOYSA-N",387461,NA,"PDBC11830","681267","Present",NA,NA
+"11831","2'-Benzoyl-1'-hydroxy-1'-phenylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Benzoyl-1'-hydroxy-1'-phenylspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione",NA,"C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4)(C5=CC=CC=C5)O","UUFJIGUPTRGAKK-UHFFFAOYSA-N",388187,NA,"PDBC11831","682755","Present",NA,NA
+"11832","2'-Benzyloxy-5,7,8-trimethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7,8-Trimethoxy-2-(2-phenylmethoxyphenyl)chromen-4-one",NA,"COC1=CC(=C(C2=C1C(=O)C=C(O2)C3=CC=CC=C3OCC4=CC=CC=C4)OC)OC","ZNKDXKFJMGWICD-UHFFFAOYSA-N",24203714,NA,"PDBC11832","729193","Present",NA,NA
+"11833","2'-Bromo-3-nitrosalicylanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Bromo-3-nitrosalicylanilide",NA,"C1=CC=C(C(=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)Br","JXBWRDYVZDBUIU-UHFFFAOYSA-N",100601,NA,"PDBC11833","328476","Present",NA,NA
+"11834","2'-Bromo-4'-epi-daunorubicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-bromo-4'-epi-daunorubicin",NA,"CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)Br)N)O","RNTSDANIDLGPLQ-ZFXDRNAVSA-N",6711997,NA,"PDBC11834","650931","Present",NA,NA
+"11835","2'-Chloro-3,4'-dinitrosalicylanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Chloro-3,4'-dinitrosalicylanilide",NA,"C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl","GFVLDDOBLMCEGN-UHFFFAOYSA-N",186164,NA,"PDBC11835","82020","Present",NA,NA
+"11836","2'-Chloroflavanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Chloroflavanone",NA,"C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3Cl","UHPRBHSQHQJOQU-UHFFFAOYSA-N",242063,NA,"PDBC11836","50188","Present",NA,NA
+"11837","2'-Deoxy-2'-fluoro-5-methyluridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Deoxy-2-fluoro-.beta.-D-arabinofuranosyl)-5-methylu...",NA,"CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)F","GBBJCSTXCAQSSJ-UHFFFAOYSA-N",352992,NA,"PDBC11837","678516","Present",NA,NA
+"11838","2'-Deoxy-2'-fluorocytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Deoxy-2'-fluorocytidine",NA,"C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F","NVZFZMCNALTPBY-UHFFFAOYSA-N",352976,NA,"PDBC11838","529432","Present",NA,NA
+"11839","2'-Deoxy-5-(trifluoromethyl)uridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tfdu",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)CO)O","VSQQQLOSPVPRAZ-UHFFFAOYSA-N",253083,NA,"PDBC11839","75520","Present",NA,NA
+"11840","2'-ETHYLCINNAMANILIDE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-ETHYLCINNAMANILIDE",NA,"CCC1=CC=CC=C1NC(=O)C=CC2=CC=CC=C2","UILYDUZXFHEGQP-OUKQBFOZSA-N",732133,NA,"PDBC11840","191385","Present",NA,NA
+"11841","2'-Ethenyl-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Ethenyl-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione",NA,"CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=CC=CC=C5C3=O","HJKVVGAAPLEUIP-UHFFFAOYSA-N",406711,NA,"PDBC11841","724976","Present",NA,NA
+"11842","2'-Ethenyl-1-methylspiro[19-oxapentacyclo[14.2.1.02,15.04,13.06,11]nonadeca-4,6,8,10,12-pentaene-18,1'-cyclopropane]-3,14,17-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Ethenyl-1-methylspiro[19-oxapentacyclo[14.2.1.02,15.04,13.06,11]nonadeca-4,6,8,10,12-pentaene-18,1'-cyclopropane]-3,14,17-trione",NA,"CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=CC6=CC=CC=C6C=C5C3=O","XSKQCVRXNYGUDI-UHFFFAOYSA-N",406712,NA,"PDBC11842","724977","Present",NA,NA
+"11843","2'-Ethenyl-1-methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclopropane]-3,18,21-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Ethenyl-1-methylspiro[23-oxahexacyclo[18.2.1.02,19.04,17.05,14.08,13]tricosa-4(17),5(14),6,8,10,12,15-heptaene-22,1'-cyclopropane]-3,18,21-trione",NA,"CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=C(C3=O)C6=C(C=C5)C7=CC=CC=C7C=C6","SEJJCDKMUIYYFP-UHFFFAOYSA-N",406713,NA,"PDBC11843","724978","Present",NA,NA
+"11844","2'-Ethenyl-5,8-dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Ethenyl-5,8-dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione",NA,"CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=C(C=CC(=C5C3=O)O)O","AGZPMIRMMRFCSQ-UHFFFAOYSA-N",406714,NA,"PDBC11844","724979","Present",NA,NA
+"11845","2'-Ethenyl-5-hydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7-triene-14,1'-cyclopropane]-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Ethenyl-5-hydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7-triene-14,1'-cyclopropane]-3,10,13-trione",NA,"CC12C3C(C(O1)C(=O)C24CC4C=C)C(=O)C5=C(C3=O)C(=CC=C5)O","OBLSPVRRMJCALI-UHFFFAOYSA-N",406715,NA,"PDBC11845","724980","Present",NA,NA
+"11846","2'-Ethyl-6',7'-dimethoxyspiro[furo[3,4-f][1,3]benzodioxole-7,3'-isoquinoline]-1',4',5-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-1,2,3,4-Tetrahydro-6,7-dimethoxy-1,4-dioxo-isoqu...",NA,"CCN1C(=O)C2=CC(=C(C=C2C(=O)C13C4=CC5=C(C=C4C(=O)O3)OCO5)OC)OC","AUGIDXDODPAEIQ-UHFFFAOYSA-N",396260,NA,"PDBC11846","701813","Present",NA,NA
+"11847","2'-Fluoroacetophenoneisonicotinoylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-fluoroacetophenoneisonicotinoylhydrazone",NA,"CC(=NNC(=O)C1=CC=NC=C1)C2=CC=CC=C2F","GLZVOSJESDMOIG-LICLKQGHSA-N",9555929,NA,"PDBC11847","655516","Present",NA,NA
+"11848","2'-Glutaryltaxol-3-(dimethylamino)propylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taxol derivative",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCCC(=O)NCCCN(C)C)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.Cl","ZMYCRVJILUQQGH-QHKUZATPSA-N",355392,NA,"PDBC11848","608832","Present",NA,NA
+"11849","2'-Hydroxy-5'-bromochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT023896",NA,"C1=CC=C(C=C1)C=CC(=O)C2=C(C=CC(=C2)Br)O","JPVAYWFGQZDOGG-SOFGYWHQSA-N",5356465,NA,"PDBC11849","58445","Present",NA,NA
+"11850","2'-Hydroxy-5'-methylchalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT024064",NA,"CC1=CC(=C(C=C1)O)C(=O)C=CC2=CC=CC=C2","BPAVQKLQOSHOPN-CSKARUKUSA-N",5708670,NA,"PDBC11850","123794","Present",NA,NA
+"11851","2'-Hydroxyacetophenone 4,4-dimethyl thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667886",NA,"CC(=NNC(=S)N(C)C)C1=CC=CC=C1O","HZBQABOWXXTKMC-WQLSENKSSA-N",135509177,NA,"PDBC11851","667886","Present",NA,NA
+"11852","2'-Hydroxyacetophenone 4,4-hexamethylenethiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668296",NA,"CC(=NNC(=S)N1CCCCCC1)C2=CC=CC=C2O","QSLSNWJKCXWVEE-VBKFSLOCSA-N",135509180,NA,"PDBC11852","668296","Present",NA,NA
+"11853","2'-Hydroxyacetophenone piperidino(thiocarbonyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668295",NA,"CC(=NNC(=S)N1CCCCC1)C2=CC=CC=C2O","IXYYSGYYZOACOT-PTNGSMBKSA-N",135509179,NA,"PDBC11853","668295","Present",NA,NA
+"11854","2'-Methoxy-4'-nitro-3-nitrosalicylanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Methoxy-4'-nitro-3-nitrosalicylanilide",NA,"COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","CXQLBKWGOVHVJE-UHFFFAOYSA-N",190315,NA,"PDBC11854","79453","Present",NA,NA
+"11855","2'-Nitrobenzanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o'-Nitrobenzanilide",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2[N+](=O)[O-]","ARMSTQBMUHJXHU-UHFFFAOYSA-N",69769,NA,"PDBC11855","406275","Present",NA,NA
+"11856","2'-O-Benzoyl-salicortin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tremulacin",NA,"C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)OC(=O)C4=CC=CC=C4)O","RCKCYCDBDYUIGM-UHFFFAOYSA-N",404838,NA,"PDBC11856","721382","Present",NA,NA
+"11857","2'-O-Methylhiascic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-O-Methylhiascic acid",NA,"CC1=CC(=CC(=C1C(=O)O)O)OC(=O)C2=C(C=C(C=C2C)OC(=O)C3=C(C(=C(C=C3O)O)O)C)OC","YFQVZURMMMPTAX-UHFFFAOYSA-N",371613,NA,"PDBC11857","646007","Present",NA,NA
+"11858","2'-Phenyl-17a-aza-D-homo-4-androsteno[17,16-c]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Phenyl-17a-aza-D-homo-4-androsteno[17,16-c]pyrazol-3-one",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC5=C(N4)N(N=C5)C6=CC=CC=C6)C","GGKVGSFKHSTURK-GKZGRGQISA-N",363160,NA,"PDBC11858","627761","Present",NA,NA
+"11859","2'-Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3beta-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3....",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)C","XVVJHYWVIHHEOR-HEKMWYBJSA-N",363158,NA,"PDBC11859","627759","Present",NA,NA
+"11860","2'-Phenyl-4-androsteno[16,17-c]triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Phenyl-4-androsteno[16,17-c]triazol-3-one",NA,"CC12CCC(=O)C=C1CCC3C2CCC4(C3CC5=NN(N=C54)C6=CC=CC=C6)C","SBUMMMYOJQXFGW-AIYTVDAHSA-N",362468,NA,"PDBC11860","626417","Present",NA,NA
+"11861","2'-Phenyl-4-aza-5alpha-androstano[3,2-c] pyrazol-17beta-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Phenyl-4-aza-5.alpha.-androstano[3,2-c] pyrazol-17.be...",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)C","PYIBTPZZBALTBR-CQZDCXLOSA-N",363167,NA,"PDBC11861","627768","Present",NA,NA
+"11862","2'-[(6-Oxo-5,6-Dihydrophenanthridin-3-Yl)carbamoyl][1,1'-Biphenyl]-2-Carboxylic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenamic acid, N-(5,6-dihydro-6-oxo-3-phenanthridinyl)-",NA,"C1=CC=C2C(=C1)C3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O)NC2=O","MWPPELUBOBZLKD-UHFFFAOYSA-N",278037,NA,"PDBC11862","127133","Present",NA,NA
+"11863","2'-[1-(2,4-Dichlorophenyl)ethyl]isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(alpha-Methyl-2,4-dichlorobenzyl)isonicotinic hydrazide",NA,"CC(C1=C(C=C(C=C1)Cl)Cl)NNC(=O)C2=CC=NC=C2","RKOCMFNSTIPQKR-UHFFFAOYSA-N",383896,NA,"PDBC11863","672807","Present",NA,NA
+"11864","2'-[3-Ethoxy-1,3-dioxo-2-(triphenylphosphoranylidene)propyl]biphenyl-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-[3-Ethoxy-1,3-dioxo-2-(triphenylphosphoranylidene)propyl]biphenyl-2-carboxylic acid",NA,"CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O","RSUCNDUUSGWZNV-UHFFFAOYSA-N",372844,NA,"PDBC11864","648536","Present",NA,NA
+"11865","2'Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'Phenyl-17a-aza-D-homo-5-androsteno[17,16-c]pyrazol-3.b...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)O","FJUADJYJHHYVLD-ADDMTJTHSA-N",363159,NA,"PDBC11865","627760","Present",NA,NA
+"11866","2'beta-Fluoro-3'-O-(phenoxycarbonothioyl)-5'-O-trityl-2'-deoxyadenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,3R,4S,5R)-5-(6-Aminopurin-9-yl)-4-fluoro-2-(trityloxymethyl)oxolan-3-yl]oxy-phenoxymethanethione",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)F)OC(=S)OC7=CC=CC=C7","LTVJOOVYOVYVCR-QPBRMJRSSA-N",401670,NA,"PDBC11866","715400","Present",NA,NA
+"11867","2(1H)-Isoquinolinecarboxamide, 1-cyano-N,N-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(1H)-Isoquinolinecarboxamide, 1-cyano-N,N-diphenyl- (8CI)",NA,"C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)N3C=CC4=CC=CC=C4C3C#N","HDBNACUXCQVKEU-UHFFFAOYSA-N",257243,NA,"PDBC11867","85178","Present",NA,NA
+"11868","2(1H)-Phthalazinecarboxylic acid, 4-[(methoxycarbonyl)oxy]-1-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(1H)-Phthalazinecarboxylic acid, 4-[(methoxycarbonyl)oxy]-1-oxo-, methyl ester",NA,"COC(=O)N1C(=O)C2=CC=CC=C2C(=N1)OC(=O)OC","HYVYBELFAFZGSF-UHFFFAOYSA-N",355530,NA,"PDBC11868","609357","Present",NA,NA
+"11869","2(1H)-Pyridinone, 3-(4,6-dimethyl-1-oxo-2,4-octadienyl)-1,4-dihydroxy-5-(4-hydroxyphenyl)-, (E,E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2E,4E)-4,6-dimethyl-1-oxo-2,4-octadien-1-yl]-1,4-dih...",NA,"CCC(C)C=C(C)C=CC(=O)C1=C(C(=CN(C1=O)O)C2=CC=C(C=C2)O)O","YELFBSBOFKWHSL-UCFWAISOSA-N",54708314,NA,"PDBC11869","754582","Present",NA,NA
+"11870","2(1H)-Pyrimidinone, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fluoro-4-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(1H)-pyrimidinone, 1-(2,5-dihydro-5-oxo-2-furanyl)-5-fl...",NA,"COC1=NC(=O)N(C=C1F)C2C=CC(=O)O2","SOMYTVQCIUWOSO-UHFFFAOYSA-N",330094,NA,"PDBC11870","315844","Present",NA,NA
+"11871","2(1H)-Pyrimidinone, 4-[(9-ethyl-9H-carbazol-3-yl)amino]-6-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(1H)-Pyrimidinone, 4-[(9-ethyl-9H-carbazol-3-yl)amino]-...",NA,"CCN1C2=C(C=C(C=C2)NC3=NC(=O)NC(=C3)C)C4=CC=CC=C41","RIGPSHOOFISQNL-UHFFFAOYSA-N",392190,NA,"PDBC11871","692317","Present",NA,NA
+"11872","2(1H)-Pyrimidinone, 5-fluoro-1-beta-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(1H)-Pyrimidinone, 5-fluoro-1-.beta.-D-ribofuranosyl-",NA,"C1=C(C=NC(=O)N1C2C(C(C(O2)CO)O)O)F","BISROEGZKWHITE-UHFFFAOYSA-N",330359,NA,"PDBC11872","318509","Present",NA,NA
+"11873","2(2Me5BenzthiazolNH)PhCOOH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(2Me5BenzthiazolNH)PhCOOH",NA,"CC1=NC2=C(S1)C=CC(=C2)NC3=CC=CC=C3C(=O)O","AENXQGKMTSDDTE-UHFFFAOYSA-N",374050,NA,"PDBC11873","651246","Present",NA,NA
+"11874","2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-",NA,"C1COCCN1CC(=O)C2=CC3=C(C=C2)NC(=O)O3","PGOSSGINMAXXBW-UHFFFAOYSA-N",391449,NA,"PDBC11874","690653","Present",NA,NA
+"11875","2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-piperidinyl)ethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-piperidinyl)ethyl]-",NA,"C1CCN(CC1)CCN2C3=C(C=C(C=C3)C(=O)CN4CCOCC4)OC2=O","HNPIAWCWTUFGDS-UHFFFAOYSA-N",391450,NA,"PDBC11875","690654","Present",NA,NA
+"11876","2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-pyrrolidinyl)ethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(3H)-Benzoxazolone, 6-(4-morpholinylacetyl)-3-[2-(1-pyrrolidinyl)ethyl]-",NA,"C1CCN(C1)CCN2C3=C(C=C(C=C3)C(=O)CN4CCOCC4)OC2=O","KMPYSBRIMLYBNL-UHFFFAOYSA-N",391460,NA,"PDBC11876","690665","Present",NA,NA
+"11877","2(3H)-Benzoxazolone, 6-(phenylacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JPB 8",NA,"C1=CC=C(C=C1)CC(=O)C2=CC3=C(C=C2)NC(=O)O3","BUZFSNQGRCSNEY-UHFFFAOYSA-N",391454,NA,"PDBC11877","690658","Present",NA,NA
+"11878","2(3H)-Thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-(4-chlorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(3H)-Thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-(4-chlorophenyl)-",NA,"C1=CC=C2C(=C1)N=C(O2)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)N","MZTLBUMMRXORCS-UHFFFAOYSA-N",404453,NA,"PDBC11878","720659","Present",NA,NA
+"11879","2(3H)-Thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-butyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(3H)-Thiazolethione, 4-amino-5-(2-benzoxazolyl)-3-butyl-",NA,"CCCCN1C(=C(SC1=S)C2=NC3=CC=CC=C3O2)N","GXQUPLDZEIBMRH-UHFFFAOYSA-N",404451,NA,"PDBC11879","720657","Present",NA,NA
+"11880","2(5H)-Furanone, 3-(2-benzothiazolyl)-4,5,5-trimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(5H)-Furanone, 3-(2-benzothiazolyl)-4,5,5-trimethyl-",NA,"CC1=C(C(=O)OC1(C)C)C2=NC3=CC=CC=C3S2","PQZQFLMZTKRGCA-UHFFFAOYSA-N",372761,NA,"PDBC11880","648377","Present",NA,NA
+"11881","2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-",NA,"CCCCC1=C(C(=C(Br)Br)OC1=O)Br","VGADRJOQALVEDC-UHFFFAOYSA-N",362385,NA,"PDBC11881","626155","Present",NA,NA
+"11882","2, 3,3'-(1,6-Hexanediyl)bis[5,5-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Imidazolidinedione, 3,3'-(1,6-hexanediyl)bis[5,5- di...",NA,"C1=CC=C(C=C1)C2(C(=O)N(C(=O)N2)CCCCCCN3C(=O)C(NC3=O)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","XMIQQJAGAZZTDB-UHFFFAOYSA-N",343242,NA,"PDBC11882","382386","Present",NA,NA
+"11883","2, 3,3'-[1,2-Ethenediylbis [(3-sulfo-4, 1-phenylene)azo]]bis[4,5-dihydroxy-, hexasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Naphthalenedisulfonic acid, 3,3'-[1,2-ethenediylbis ...",NA,"C1=CC(=C(C=C1N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)O)O)S(=O)(=O)O.[Na+]","UZPOSSJPZWEFQL-KERWLWAWSA-N",135421925,NA,"PDBC11883","34932","Present",NA,NA
+"11884","2, 3-Hydroxy-4-[[4-[[4-[4-[(2-hydroxy-3,6-disulfo-1-naphthyl)azo]benzamido]phenyl] thio]phenyl]azo]-, tetrasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Naphthalenedisulfonic acid, 3-hydroxy-4-[[4-[[4-[4- ...",NA,"C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)N=NC4=C5C=CC(=CC5=CC(=C4O)S(=O)(=O)O)S(=O)(=O)O)N=NC6=C7C=CC(=CC7=CC(=C6O)S(=O)(=O)O)S(=O)(=O)O","PEIOJNXAKANCAD-UHFFFAOYSA-N",415011,NA,"PDBC11884","65860","Present",NA,NA
+"11885","2, 3-[(3,4-Dichlorophenyl)methylene]-6-(dimethylamino)-5-methyl-, hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Hexanedione, 3-[(3,4-dichlorophenyl)methylene]-6-(di...",NA,"CC(CN(C)C)C(=O)C(=CC1=CC(=C(C=C1)Cl)Cl)C(=O)C.Br","FPJOPGWECSOMQU-FTPOTTDRSA-N",54607735,NA,"PDBC11885","360335","Present",NA,NA
+"11886","2, 4,4''-Ureylenebis [4'-acetamido-, tetrasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Stilbenedisulfonic acid, 4,4''-ureylenebis [4'-acet...",NA,"CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)NC(=O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","OIBXDJAEPSZBCP-WEUBHIEESA-N",54598505,NA,"PDBC11886","34928","Present",NA,NA
+"11887","2, 4,4'-[(1-Hydroxy-4-sulfo-2-naphthyl)azo]-, tetrasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Naphthalenesulfonic acid, 3,3'-[1,2-ethenediylbis [(3-...",NA,"C1=CC=C2C(=C1)C(=CC(=C2O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","KDTBZQQUCPOVRD-HTVYWNBFSA-N",135421923,NA,"PDBC11887","34931","Present",NA,NA
+"11888","2, 4-Amino-6-[[4'-[(4-amino-7-sulfo-1-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-3-[(4-nitrophenyl)azo]-, trisodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Naphthalenedisulfonic acid, 4-amino-6-[[4'-[(4-amino...",NA,"C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N=NC5=CC=C(C=C5)[N+](=O)[O-])N)O)N=NC6=C7C=C(C=CC7=C(C=C6)N)S(=O)(=O)O.[Na+]","NIDUZTYRAQSTMU-UHFFFAOYSA-N",135534420,NA,"PDBC11888","79743","Present",NA,NA
+"11889","2, 4-Hydroxy-4-(3-hydroxy-1-propynyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Cyclohexadien-1-one, 4-hydroxy-4-(3-hydroxy-1-propyn...",NA,"C1=CC(C=CC1=O)(C#CCO)O","HYMUYMHBNHXVCF-UHFFFAOYSA-N",394651,NA,"PDBC11889","698253","Present",NA,NA
+"11890","2, 5-[4-(Dimethylamino)phenyl]-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pentadienenitrile, 5-[4-(dimethylamino)phenyl]- 2-ph...",NA,"CN(C)C1=CC=C(C=C1)C=CC=C(C#N)C2=CC=CC=C2","PZOBYPZHMFNXCV-WNQIWMROSA-N",6376091,NA,"PDBC11890","667252","Present",NA,NA
+"11891","2, 6-[(Bromotrichlorophosphoranyl)methyl]-5-(3,4-dichlorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrimidinediamine, 6-[(bromotrichlorophosphoranyl)me...",NA,"C1=CC(=C(C=C1C2=C(N=C(N=C2N)N)CP(Cl)(Cl)(Cl)Br)Cl)Cl","CJJRHNVCPYJIJF-UHFFFAOYSA-N",308827,NA,"PDBC11891","210924","Present",NA,NA
+"11892","2, Arsenic(3+) salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-dimercaptobutanedioic acid, arsenic(3+) salt",NA,"C(C(C(=O)O)S)(C(=O)O)S.[As]","SNNUJVHJXKIHFY-UHFFFAOYSA-N",54603914,NA,"PDBC11892","16866","Present",NA,NA
+"11893","2,1':4,5][1,3,5]Thiadiazino[2,3-b]quinazolin-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-12H-imidazo[2',1':4,5][1,3,5]thiadiazino[2,3...",NA,"C1CN2C(=N1)N3CC4=CC=CC=C4N=C3SC2=S","HMADFQMMTIFSGT-UHFFFAOYSA-N",45028032,NA,"PDBC11893","740808","Present",NA,NA
+"11894","2,1,3-Benzoselenadiazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,1,3-Benzoselenadiazol-5-amine",NA,"C1=CC2=N[Se]N=C2C=C1N","USUBPPYJPSYDCY-UHFFFAOYSA-N",362896,NA,"PDBC11894","627370","Present",NA,NA
+"11895","2,1,3-Benzoselenadiazol-5-yl(phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK680281",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=N[Se]N=C3C=C2","RQTVFTLQGUCIGW-UHFFFAOYSA-N",357318,NA,"PDBC11895","615552","Present",NA,NA
+"11896","2,1,3-Benzothiadiazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-aminopiazthiole",NA,"C1=CC2=NSN=C2C(=C1)N","DRLGIZIAMHIQHL-UHFFFAOYSA-N",69845,NA,"PDBC11896","73013","Present",NA,NA
+"11897","2,10,12-Triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),11,13(17),14-pentaen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,10,12-Triazatetracyclo[8.6.1.03,8.013,17]heptadeca-1(16),3(8),11,13(17),14-pentaen-9-one",NA,"C1CCC2=C(C1)C(=O)N3C=NC4=C3C(=CC=C4)N2","SQPMCAZBOJPKRH-UHFFFAOYSA-N",375449,NA,"PDBC11897","655181","Present",NA,NA
+"11898","2,10,18,26-Tetrazatricyclo[25.5.0.011,17]dotriaconta-1,10,12,14,16,27,29,31-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,10,18,26-Tetrazatricyclo[25.5.0.011,17]dotriaconta-1,10,12,14,16,27,29,31-octaene",NA,"C1CCCNC2=CC=CC=CC2=NCCCCCCCN=C3C=CC=CC=C3NCCC1","OUGBJMOISWZMQJ-UHFFFAOYSA-N",358337,NA,"PDBC11898","618302","Present",NA,NA
+"11899","2,10,19-Trioxa-16,22,31-triazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(27),4(31),5,7,11,13,15,22,24(28),25,29-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,10,19-Trioxa-16,22,31-triazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(27),4(31),5,7,11,13,15,22,24(28),25,29-undecaene",NA,"C1COCCN=CC2=CC=C(C=C2)OCC3=CC=CC(=N3)COC4=CC=C(C=C4)C=N1","YTFNLOFSRQJZAE-UHFFFAOYSA-N",403697,NA,"PDBC11899","718888","Present",NA,NA
+"11900","2,10-Anthrylenedimethylene)-bis[2-thiopseudourea] dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ATPU",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CSC(=N)N)CSC(=N)N.Cl","DEYDZSUKTLIUOZ-UHFFFAOYSA-N",54603799,NA,"PDBC11900","56054","Present",NA,NA
+"11901","2,10-Dioxa-16,19,22,25,34-pentazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(30),4(34),5,7,11,13,15,25,27(31),28,32-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,10-Dioxa-16,19,22,25,34-pentazatetracyclo[25.2.2.211,14.14,8]tetratriaconta-1(30),4(34),5,7,11,13,15,25,27(31),28,32-undecaene",NA,"C1CNCCN=CC2=CC=C(C=C2)OCC3=CC=CC(=N3)COC4=CC=C(C=C4)C=NCCN1","NRZMZBQZJSDGMZ-UHFFFAOYSA-N",393561,NA,"PDBC11901","695631","Present",NA,NA
+"11902","2,10-Dioxa-16,19,22,25,36-pentazapentacyclo[25.2.2.211,14.219,22.14,8]hexatriaconta-1(30),4(36),5,7,11,13,15,25,27(31),28,34-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,10-Dioxa-16,19,22,25,36-pentazapentacyclo[25.2.2.211,14.219,22.14,8]hexatriaconta-1(30),4(36),5,7,11,13,15,25,27(31),28,34-undecaene",NA,"C1CN2CCN(CCN=CC3=CC=C(C=C3)OCC4=CC=CC(=N4)COC5=CC=C(C=C5)C=N1)CC2","MENAGVQJXHSTPE-UHFFFAOYSA-N",403696,NA,"PDBC11902","718887","Present",NA,NA
+"11903","2,10-Dioxa-16,19,22,31-tetraazatetracyclo[22.2.2.211,14.14,8]hentriaconta-4,6,8(31),11,13,15,22,24,26,27,29-undecaene, 12,26-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,26-Dimethoxy-2,10-dioxa-16,19,22,31-tetrazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(26),4(31),5,7,11,13,15,22,24,27,29-undecaene",NA,"COC1=C2C=CC(=C1)C=NCCNCCN=CC3=CC(=C(C=C3)OCC4=CC=CC(=N4)CO2)OC","SVYDPNFMXNMMCA-UHFFFAOYSA-N",383116,NA,"PDBC11903","671160","Present",NA,NA
+"11904","2,10-Dioxa-16,19,22,31-tetrazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(27),4(31),5,7,11,13,15,22,24(28),25,29-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,10-Dioxa-16,19,22,31-tetrazatetracyclo[22.2.2.211,14.14,8]hentriaconta-1(27),4(31),5,7,11,13,15,22,24(28),25,29-undecaene",NA,"C1CN=CC2=CC=C(C=C2)OCC3=NC(=CC=C3)COC4=CC=C(C=C4)C=NCCN1","IOMPXSOWTIMPGG-UHFFFAOYSA-N",393562,NA,"PDBC11904","695632","Present",NA,NA
+"11905","2,10-Diphenylpyridazino[4,5-b]quinolin-1(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,10-Diphenylpyridazino[4,5-b]quinolin-1(2H)-one",NA,"C1=CC=C(C=C1)C2=C3C(=NC4=CC=CC=C42)C=NN(C3=O)C5=CC=CC=C5","MUYAPUOWJXVSQP-UHFFFAOYSA-N",372527,NA,"PDBC11905","647661","Present",NA,NA
+"11906","2,11-Dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxyperylene-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,11-Dihydroxy-1,12-bis[(2R)-2-hydroxypropyl]-4,6,7,9-tetramethoxyperylene-3,10-dione",NA,"CC(CC1=C(C(=O)C2=C(C=C(C3=C4C(=CC(=C5C4=C(C1=C32)C(=C(C5=O)O)CC(C)O)OC)OC)OC)OC)O)O","HZWAGEBGVYHLIB-VXGBXAGGSA-N",390877,NA,"PDBC11906","688980","Present",NA,NA
+"11907","2,11-Dihydroxy-4,6,7,9-tetramethoxy-1,12-bis[(E)-prop-1-enyl]perylene-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,11-Dihydroxy-4,6,7,9-tetramethoxy-1,12-bis[(E)-prop-1-enyl]perylene-3,10-dione",NA,"CC=CC1=C(C(=O)C2=C(C=C(C3=C4C(=CC(=C5C4=C(C1=C32)C(=C(C5=O)O)C=CC)OC)OC)OC)OC)O","JTIFIHHOOYLSOC-FIFLTTCUSA-N",135505160,NA,"PDBC11907","693562","Present",NA,NA
+"11908","2,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CC1=CC(=O)C2=C(C1=O)C3=C(C=C2)C4=CC=CC=C4N3C","LJBVBDSXOIBVLB-UHFFFAOYSA-N",375751,NA,"PDBC11908","655898","Present",NA,NA
+"11909","2,12-Bis(3-hydroxypropyl)-2,12-dimethylcyclododecanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,12-Bis(3-hydroxypropyl)-2,12-dimethylcyclododecanone",NA,"CC1(CCCCCCCCCC(C1=O)(C)CCCO)CCCO","QTRIRBZOTPYUMA-UHFFFAOYSA-N",385905,NA,"PDBC11909","677306","Present",NA,NA
+"11910","2,12-Bis[(dimethylamino)methyl]cyclododecan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649641",NA,"CN(C)CC1CCCCCCCCCC(C1=O)CN(C)C.Cl","OMVXXYRGBASRKW-UHFFFAOYSA-N",373394,NA,"PDBC11910","649641","Present",NA,NA
+"11911","2,12-Di-tert-butyl-7,8-dihydro-14,15-didehydro-6H-dibenzo[f,j][1,5]dioxacycloundecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,18-Ditert-butyl-10,14-dioxatricyclo[13.4.0.04,9]nonadeca-1(15),4(9),5,7,16,18-hexaen-2-yne",NA,"CC(C)(C)C1=CC2=C(C=C1)OCCCOC3=C(C=C(C=C3)C(C)(C)C)C#C2","WNMBNXHDUUIEJB-UHFFFAOYSA-N",397892,NA,"PDBC11911","706807","Present",NA,NA
+"11912","2,12-Dichloro-7-phenyl-5,6,8,9-tetrahydro-1,13-diaza-dibenzo[a,j]anthracene-14-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6,20-dichloro-13-phenyl-5,21-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene-2-carboxylate",NA,"COC(=O)C1=C2C(=C(C3=C1C4=C(CC3)C=CC(=N4)Cl)C5=CC=CC=C5)CCC6=C2N=C(C=C6)Cl","OYTWSNWGCZOUQI-UHFFFAOYSA-N",371369,NA,"PDBC11912","645588","Present",NA,NA
+"11913","2,12a-Dihydro-12-oxodibenzo[b,g] indoloisoquinolinium sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-12,12a-dihydro-12-oxodibenzo[b,g] indolois...",NA,"COC1=C(C=C2C(=C1)C=C[N+]3=C2C(=O)C4=CC=CC=C43)OC.[O-]S(=O)(=O)[O-]","ZKMMLRIWYJCNDC-UHFFFAOYSA-L",24202106,NA,"PDBC11913","627787","Present",NA,NA
+"11914","2,13-Dioxa-6,9,16,19-tetrathiadispiro[3.6.3^{11}.6^{4}]icosane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,13-Dioxa-6,9,16,19-tetrathiadispiro[3.6.3^{11}.6^{4}]icosane",NA,"C1CSCC2(COC2)CSCCSCC3(COC3)CS1","PMRQLWLIBYPXLC-UHFFFAOYSA-N",373825,NA,"PDBC11914","650788","Present",NA,NA
+"11915","2,14-Diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,14-Diaza-12-azoniapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,15,17,19,21-decaene;iodide",NA,"C1N2C=CC3=CC=CC=C3C2=NC4=[N+]1C=CC5=CC=CC=C54.[I-]","WBSPCHFEFYQJOP-UHFFFAOYSA-M",404653,NA,"PDBC11915","721080","Present",NA,NA
+"11916","2,15-Bis[(dimethylamino)methyl]cyclopentadecan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649640",NA,"CN(C)CC1CCCCCCCCCCCCC(C1=O)CN(C)C.Cl","BTBFJTSDQAKCDW-UHFFFAOYSA-N",373392,NA,"PDBC11916","649640","Present",NA,NA
+"11917","2,16-Tribromoestra-1,3,5(10)-trien-3-ol-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,16-Tribromoestra-1,3,5(10)-trien-3-ol-17-one",NA,"CC12CCC3C(C1CC(C2=O)Br)CCC4=C(C(=C(C=C34)Br)O)Br","ADSWXPLGWUHJRG-WASBOFOPSA-N",388134,NA,"PDBC11917","682689","Present",NA,NA
+"11918","2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 3,3',5,5',6,6',7,7'-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 3,3',5,5',6,6',7,7'-octahydro-",NA,"C1CC2=CC3=C(CC4(C3)CC5=C(C4=O)C=C6CCCC6=C5)C=C2C1","KLAMYRDGUZSBQO-UHFFFAOYSA-N",382652,NA,"PDBC11918","670300","Present",NA,NA
+"11919","2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 3,3',5,5',6,6',7,7'-octahydro-1'-methylene-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methylidenespiro[1,2,3,5-tetrahydro-s-indacene-6,2'-3,5,6,7-tetrahydro-s-indacene]-1'-one",NA,"C=C1C2=C(CC13CC4=C(C3=O)C=C5CCCC5=C4)C=C6CCCC6=C2","MDELAXAHDNITFF-UHFFFAOYSA-N",382772,NA,"PDBC11919","670450","Present",NA,NA
+"11920","2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'(1H,1'H)-Spirobi[s-indacen]-1-one, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-",NA,"CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C=C6CCCC6=C5","SZWHEJDJJIBIPK-UHFFFAOYSA-N",382664,NA,"PDBC11920","670312","Present",NA,NA
+"11921","2,2'(1H,1'H)-Spirobi[s-indacene]-4,4'-dicarboxaldehyde, 3,3',5,5',6,6',7,7'-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-Spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4,4'-dicarbaldehyde",NA,"C1CC2=CC3=C(CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C=O)C(=C2C1)C=O","ITSVOCHDTFUUAB-UHFFFAOYSA-N",382759,NA,"PDBC11921","670437","Present",NA,NA
+"11922","2,2'(1H,1'H)-Spirobi[s-indacene]-4,4'-dicarboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4,4'-dicarboxylate",NA,"COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)OC","JDCKLAWDBNRXBJ-UHFFFAOYSA-N",382758,NA,"PDBC11922","670436","Present",NA,NA
+"11923","2,2'(1H,1'H)-Spirobi[s-indacene]-4,4'-dimethanol, 3,3',5,5',6,6',7,7'-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4'-(Hydroxymethyl)-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4-yl]methanol",NA,"C1CC2=CC3=C(CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)CO)C(=C2C1)CO","XNIYUUPFNWOLGD-UHFFFAOYSA-N",382760,NA,"PDBC11923","670438","Present",NA,NA
+"11924","2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-, methyl ester",NA,"COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCC6=C5","WGRZTCIIDNTQKV-UHFFFAOYSA-N",382765,NA,"PDBC11924","670443","Present",NA,NA
+"11925","2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-1'-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate",NA,"COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C=C6CCCC6=C5","LVWDRDQXHIEPMF-UHFFFAOYSA-N",382665,NA,"PDBC11925","670313","Present",NA,NA
+"11926","2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 3,3',5,5',6,6',7,7'-octahydro-4'-methyl-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate",NA,"CC1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)OC","FHZPQVBIVBUFQS-UHFFFAOYSA-N",382762,NA,"PDBC11926","670440","Present",NA,NA
+"11927","2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 4'-acetyl-3,3',5,5',6,6',7,7'-octahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate",NA,"CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)OC","LINCQZTYIFFOHQ-UHFFFAOYSA-N",365580,NA,"PDBC11927","633379","Present",NA,NA
+"11928","2,2'(1H,1'H)-Spirobi[s-indacene]-4-carboxylic acid, 4'-formyl-3,3',5,5',6,6',7,7'-octahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-formyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate",NA,"COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C=O","KKISMDCJUHRYQW-UHFFFAOYSA-N",382763,NA,"PDBC11928","670441","Present",NA,NA
+"11929","2,2',3,3'-Tetrahydroxy-1,1'-binaphthyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,1'-Binaphthalene]-2,2',3,3'-tetrol",NA,"C1=CC=C2C(=C1)C=C(C(=C2C3=C(C(=CC4=CC=CC=C43)O)O)O)O","OOSHJGKXQBJASF-UHFFFAOYSA-N",316673,NA,"PDBC11929","245006","Present",NA,NA
+"11930","2,2',4,4',6,6'-Hexamethoxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2',4,4',6,6'-Hexamethoxychalcone",NA,"COC1=CC(=C(C(=C1)OC)C=CC(=O)C2=C(C=C(C=C2OC)OC)OC)OC","WPEIVYGKGRTWQT-BQYQJAHWSA-N",6312440,NA,"PDBC11930","750050","Present",NA,NA
+"11931","2,2',4,6,6'-Pentamethoxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2',4,6,6'-Pentamethoxychalcone",NA,"COC1=C(C(=CC=C1)OC)C(=O)C=CC2=C(C=C(C=C2OC)OC)OC","VTQYXZBKHCNCGL-MDZDMXLPSA-N",16655018,NA,"PDBC11931","751955","Present",NA,NA
+"11932","2,2',5,5'-Tetrahydroxy-4,4'-dimethylbiphenyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2',5,5'-Tetrahydroxy-4,4'-dimethylbiphenyl",NA,"CC1=CC(=C(C=C1O)C2=C(C=C(C(=C2)O)C)O)O","DSVRCBOSZSZMRX-UHFFFAOYSA-N",220284,NA,"PDBC11932","2805","Present",NA,NA
+"11933","2,2',7,7'-Tetrabromo-9,9'-spirobifluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-25346",NA,"C1=CC2=C(C=C1Br)C3(C4=C2C=CC(=C4)Br)C5=C(C=CC(=C5)Br)C6=C3C=C(C=C6)Br","MASXXNUEJVMYML-UHFFFAOYSA-N",371282,NA,"PDBC11933","645359","Present",NA,NA
+"11934","2,2'-(1,3-Propanediyl)bis(nitrilomethylidyne)bis(5-methoxyphenol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(2-Hydroxy-4-methoxyphenyl)methylideneamino]propyliminomethyl]-5-methoxyphenol",NA,"COC1=CC(=C(C=C1)C=NCCCN=CC2=C(C=C(C=C2)OC)O)O","CKVTXWCHWYLAMV-UHFFFAOYSA-N",403717,NA,"PDBC11934","718908","Present",NA,NA
+"11935","2,2'-(1,4-Phenylene)bis(1,3-dimethylimidazolidine)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-(1,4-phenylene)bis(1,3-dimethylimidazolidine)",NA,"CN1CCN(C1C2=CC=C(C=C2)C3N(CCN3C)C)C","VJOKAQXOSFIMEF-UHFFFAOYSA-N",24202889,NA,"PDBC11935","726160","Present",NA,NA
+"11936","2,2'-(9h-Fluoren-2-ylimino)diethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-(9h-Fluoren-2-ylimino)diethanol",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CCO)CCO","IGXYLBZHGRVGHD-UHFFFAOYSA-N",229461,NA,"PDBC11936","23175","Present",NA,NA
+"11937","2,2'-(Hexamethylenebisimino)bis(2,4,6-cycloheptatriene-1-one)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]hexylamino]cyclohepta-2,4,6-trien-1-one",NA,"C1=CC=C(C(=O)C=C1)NCCCCCCNC2=CC=CC=CC2=O","FISBDCLMYQDYAR-UHFFFAOYSA-N",358324,NA,"PDBC11937","618288","Present",NA,NA
+"11938","2,2'-(Hexane-1,6-diyl)bis(thiazole-4-carboxamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Hexane-1,6-diylbis(1,3-thiazole-4-carboxamide)",NA,"C1=C(N=C(S1)CCCCCCC2=NC(=CS2)C(=O)N)C(=O)N","DJFLHEWVUZNPOD-UHFFFAOYSA-N",370578,NA,"PDBC11938","643831","Present",NA,NA
+"11939","2,2'-(Hexane-1,6-diyl)bis(thiazole-4-carboxylic acid ethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2,2'-hexane-1,6-diylbis(1,3-thiazole-4-carboxylate)",NA,"CCOC(=O)C1=CSC(=N1)CCCCCCC2=NC(=CS2)C(=O)OCC","XACFDCPXQBGOLL-UHFFFAOYSA-N",370577,NA,"PDBC11939","643830","Present",NA,NA
+"11940","2,2'-(Methylenedithio)bisbenzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS97GT9Z98",NA,"C1=CC=C2C(=C1)N=C(S2)SCSC3=NC4=CC=CC=C4S3","MXPRFFFCRFBOPX-UHFFFAOYSA-N",234859,NA,"PDBC11940","35582","Present",NA,NA
+"11941","2,2'-(Propan-2-ylimino)diacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(ISOPROPYLIMINO)DIACETIC ACID",NA,"CC(C)N(CC(=O)O)CC(=O)O","IWJJXDLQNGBAOG-UHFFFAOYSA-N",219559,NA,"PDBC11941","1004","Present",NA,NA
+"11942","2,2'-(Tetramethylenebisimino)bis(2,4,6-cycloheptatriene-1-one)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]butylamino]cyclohepta-2,4,6-trien-1-one",NA,"C1=CC=C(C(=O)C=C1)NCCCCNC2=CC=CC=CC2=O","ZIJSKIGHHIVMMT-UHFFFAOYSA-N",358328,NA,"PDBC11942","618292","Present",NA,NA
+"11943","2,2'-(Trimethylenebisimino)bis(2,4,6-cycloheptatriene-1-one)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]propylamino]cyclohepta-2,4,6-trien-1-one",NA,"C1=CC=C(C(=O)C=C1)NCCCNC2=CC=CC=CC2=O","RXJSJVSEMWQZBO-UHFFFAOYSA-N",358330,NA,"PDBC11943","618294","Present",NA,NA
+"11944","2,2'-Azobis(N-(2-hydroxyethyl)-2-methylpropionamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-azobis[2-methyl-N-(2-hydroxyethyl)propionamide]",NA,"CC(C)(C(=O)NCCO)N=NC(C)(C)C(=O)NCCO","WVFLGSMUPMVNTQ-UHFFFAOYSA-N",381605,NA,"PDBC11944","668415","Present",NA,NA
+"11945","2,2'-Azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-azobis[2-(2-imidazolin-2-yl)propane]dihydrochloride",NA,"CC(C)(C1=NCCN1)N=NC(C)(C)C2=NCCN2.Cl","WYFGBFHRZGNGAU-UHFFFAOYSA-N",381604,NA,"PDBC11945","668413","Present",NA,NA
+"11946","2,2'-Bi-1,3,4-oxadiazole, 5,5'-dihydrazino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Bi-1,3,4-oxadiazole, 5,5'-dihydrazino-",NA,"C1(=NN=C(O1)NN)C2=NN=C(O2)NN","CWHNDTWCZGDTOT-UHFFFAOYSA-N",378682,NA,"PDBC11946","661585","Present",NA,NA
+"11947","2,2'-Bi[1-hydroxy-3-methyl-6-methoxy-9H-carbazole]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-6-methoxy-3-methyl-9H-carbazol-2-yl)-6-methoxy-3-methyl-9H-carbazol-1-ol",NA,"CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C5=C(N4)C=CC(=C5)OC)O)O)NC6=C2C=C(C=C6)OC","LOTTYLIBOWVVMM-UHFFFAOYSA-N",6712792,NA,"PDBC11947","713162","Present",NA,NA
+"11948","2,2'-Bibenzofuran, 5,5'-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Bibenzofuran, 5,5'-dimethoxy-",NA,"COC1=CC2=C(C=C1)OC(=C2)C3=CC4=C(O3)C=CC(=C4)OC","LKYICYKSSOWKGI-UHFFFAOYSA-N",360610,NA,"PDBC11948","622869","Present",NA,NA
+"11949","2,2'-Bioxirane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bioxiran",NA,"C1C(O1)C2CO2","ZFIVKAOQEXOYFY-UHFFFAOYSA-N",11254,NA,"PDBC11949","629","Present",NA,NA
+"11950","2,2'-Bipyridilium-[2,2'-bipyridinetetrachlororuthenate(I...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Bipyridilium-[2,2'-bipyridinetetrachlororuthenate(I...",NA,NA,NA,NA,NA,"PDBC11950","630122","Present",NA,NA
+"11951","2,2'-Bithiophene-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,2'-Bithiophene]-5-carboxaldehyde",NA,"C1=CSC(=C1)C2=CC=C(S2)C=O","FYBWRAXKYXTOQC-UHFFFAOYSA-N",364428,NA,"PDBC11951","630688","Present",NA,NA
+"11952","2,2'-Cyclocytidine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ancitabine hydrochloride",NA,"C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N.Cl","KZOWNALBTMILAP-UHFFFAOYSA-N",16757841,NA,"PDBC11952","145668","Present",NA,NA
+"11953","2,2'-Dihydroxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636811",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2O)O","KSHCTKZLHCSARH-MDZDMXLPSA-N",638277,NA,"PDBC11953","636811","Present",NA,NA
+"11954","2,2'-Diiodobiphenyl-4,4'-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC159316",NA,"C1=CC(=C(C=C1C(=O)O)I)C2=C(C=C(C=C2)C(=O)O)I","DDGDMKJKZZTSSB-UHFFFAOYSA-N",293029,NA,"PDBC11954","159316","Present",NA,NA
+"11955","2,2'-Dimethyl-6',7-epoxyberbaman-6,12-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,22-Dimethyl-14,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.210,13.14,30.115,19.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13(36),15,17,19(35),25,27,32-dodecaene-16,27-diol",NA,"CN1CCC2=CC3=C4C=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=C(O4)C(=C(C=C8CCN7C)O)O3)O","CUWLASKQLWUARF-UHFFFAOYSA-N",364104,NA,"PDBC11955","629745","Present",NA,NA
+"11956","2,2'-Diphenyl-2,3'-bi[1H-indole]-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-2-(2-phenyl-1H-indol-3-yl)-1H-indol-3-one",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C4(C(=O)C5=CC=CC=C5N4)C6=CC=CC=C6","FGKFEGYYEYHMQQ-UHFFFAOYSA-N",360057,NA,"PDBC11956","621855","Present",NA,NA
+"11957","2,2'-Disulfanediylbis(6-methoxybenzoic acid)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Disulfanediylbis(6-methoxybenzoic acid)",NA,"COC1=C(C(=CC=C1)SSC2=CC=CC(=C2C(=O)O)OC)C(=O)O","WUNQJVLDYBSFTF-UHFFFAOYSA-N",363956,NA,"PDBC11957","629493","Present",NA,NA
+"11958","2,2'-Disulfanediylbis[1-(4-chlorophenyl)ethanone]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-chlorophenacyl) persulfide",NA,"C1=CC(=CC=C1C(=O)CSSCC(=O)C2=CC=C(C=C2)Cl)Cl","HWLHHXIRZITARP-UHFFFAOYSA-N",224213,NA,"PDBC11958","12549","Present",NA,NA
+"11959","2,2'-Dithiobis(5-chloroaniline)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-chlorophenyl disulfide",NA,"C1=CC(=C(C=C1Cl)N)SSC2=C(C=C(C=C2)Cl)N","XMIKJNSWZZMXKK-UHFFFAOYSA-N",94742,NA,"PDBC11959","677447","Present",NA,NA
+"11960","2,2'-Methanediylbis(4-chloro-6-methylphenol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PLYLXUREZURVOA-UHFFFAOYSA-N",NA,"CC1=CC(=CC(=C1O)CC2=C(C(=CC(=C2)Cl)C)O)Cl","PLYLXUREZURVOA-UHFFFAOYSA-N",253827,NA,"PDBC11960","77122","Present",NA,NA
+"11961","2,2'-Methylenebis(4-ethyl-6-tert-butylphenol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ao 425",NA,"CCC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)CC)C(C)(C)C)O","GPNYZBKIGXGYNU-UHFFFAOYSA-N",6928,NA,"PDBC11961","7782","Present",NA,NA
+"11962","2,2'-Methylenebis(4-methyl-6-tert-butylphenol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"anti ox",NA,"CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=CC(=C2)C)C(C)(C)C)O","KGRVJHAUYBGFFP-UHFFFAOYSA-N",8398,NA,"PDBC11962","7781","Present",NA,NA
+"11963","2,2'-Methyliminobis(ethyleneiminomethylene)bispyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis(2-methylpyridine)-4-methyl-1,4,7-triazaheptane p...",NA,"CN(CCNCC1=CC=CC=N1)CCNCC2=CC=CC=N2","CHFNQDVXSWSOSP-UHFFFAOYSA-N",53720959,NA,"PDBC11963","789879","Present",NA,NA
+"11964","2,2'-Oxybis(1,3,2-benzodioxarsole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrocatechol, cyclic arsenite",NA,"C1=CC=C2C(=C1)O[As](O2)O[As]3OC4=CC=CC=C4O3","OSBURWQDSIHTRB-UHFFFAOYSA-N",291833,NA,"PDBC11964","157382","Present",NA,NA
+"11965","2,2'-Oxybis(1,4-phenylenenitrilomethylidyne)bis(4-bromophenol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK180660",NA,"C1=CC(=CC=C1N=CC2=C(C=CC(=C2)Br)O)OC3=CC=C(C=C3)N=CC4=C(C=CC(=C4)Br)O","PHERVYAPPVPBKT-UHFFFAOYSA-N",359105,NA,"PDBC11965","619687","Present",NA,NA
+"11966","2,2'-Piperazine-1,4-diylbis(3-chloronaphthoquinone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-naphthoquinone, 2,2'-(1,4-piperazinediyl)bis[3-chloro-",NA,"C1CN(CCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl","LLEAFADFRDXABW-UHFFFAOYSA-N",237101,NA,"PDBC11966","40341","Present",NA,NA
+"11967","2,2'-Spirobi[1,3-dihydroindene]-5-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[1,3-dihydroindene]-5-ylmethanol",NA,"C1C2=C(CC13CC4=CC=CC=C4C3)C=C(C=C2)CO","PFYGYBWDHVSQPD-UHFFFAOYSA-N",385713,NA,"PDBC11967","677059","Present",NA,NA
+"11968","2,2'-Spirobi[2H-benz[e]indene]-1,1'(3'H,3H)-dione, 6,6',7,7',8,8',9,9'-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-benz[e]indene]-1,1'(3'H,3H)-dione, 6,6',7,7',8,8',9,9'-octahydro-",NA,"C1CCC2=C(C1)C=CC3=C2C(=O)C4(C3)CC5=C(C4=O)C6=C(CCCC6)C=C5","KFFVZCVWWLIUSG-UHFFFAOYSA-N",382777,NA,"PDBC11968","670455","Present",NA,NA
+"11969","2,2'-Spirobi[2H-benz[e]indene]-9,9'(1'H,1H)-dione, 5,5'-diethyl-3,3',6,6',7,7',8,8'-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-benz[e]indene]-9,9'(1'H,1H)-dione, 5,5'-diethyl-3,3',6,6',7,7',8,8'-octahydro-",NA,"CCC1=C2CCCC(=O)C2=C3CC4(CC3=C1)CC5=CC(=C6CCCC(=O)C6=C5C4)CC","AJJGJFZGWRUKCQ-UHFFFAOYSA-N",382637,NA,"PDBC11969","670286","Present",NA,NA
+"11970","2,2'-Spirobi[2H-benz[f]inden]-5(1H)-one, 4'-acetyl-1',3,3',5',6,6',7,7',8,8'-decahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetylspiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5'-one",NA,"CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6C(=C5)CCCC6=O","GCPNCPDTRKNBFJ-UHFFFAOYSA-N",382750,NA,"PDBC11970","670428","Present",NA,NA
+"11971","2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxaldehyde, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxaldehyde, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-",NA,"C1CCC2=C(C3=C(CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C=O)C=C2C1)C=O","ZWQLBQFKDGWFBS-UHFFFAOYSA-N",382752,NA,"PDBC11971","670430","Present",NA,NA
+"11972","2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-benz[f]indene]-4,4'-dicarboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, dimethyl ester",NA,"COC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)OC","BMILKYGZWIJPNH-UHFFFAOYSA-N",382753,NA,"PDBC11972","670431","Present",NA,NA
+"11973","2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester",NA,"COC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCCC6=C5","QHYXYMLEDJUNMQ-UHFFFAOYSA-N",382749,NA,"PDBC11973","670427","Present",NA,NA
+"11974","2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-acetyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-acetyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester",NA,"CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)OC","VVJDYOLCEIQYJL-UHFFFAOYSA-N",382754,NA,"PDBC11974","670432","Present",NA,NA
+"11975","2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-ethyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-ethyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester",NA,"CCC1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)OC","BDFQTUYUSGKRDS-UHFFFAOYSA-N",382756,NA,"PDBC11975","670434","Present",NA,NA
+"11976","2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-formyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-benz[f]indene]-4-carboxylic acid, 4'-formyl-1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-, methyl ester",NA,"COC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C=O","DUJICMBMSJYNPU-UHFFFAOYSA-N",382755,NA,"PDBC11976","670433","Present",NA,NA
+"11977","2,2'-Spirobi[2H-inden]-1(3H)-one, 1',3'-dihydro-4,4'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-inden]-1(3H)-one, 1',3'-dihydro-4,4'-dimethyl-",NA,"CC1=C2CC3(CC2=CC=C1)CC4=C(C=CC=C4C3=O)C","NUTHRUHEUNVISX-UHFFFAOYSA-N",382656,NA,"PDBC11977","670304","Present",NA,NA
+"11978","2,2'-Spirobi[2H-inden]-1(3H)-one, 1',3'-dihydro-5',6-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-inden]-1(3H)-one, 1',3'-dihydro-5',6-dimethyl-",NA,"CC1=CC2=C(CC3(C2)CC4=C(C3=O)C=C(C=C4)C)C=C1","JFUNQSZGTSZUHR-UHFFFAOYSA-N",382655,NA,"PDBC11978","670303","Present",NA,NA
+"11979","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 4,4'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 4,4'-dimethyl-",NA,"CC1=C2CC3(CC4=C(C=CC=C4C3=O)C)C(=O)C2=CC=C1","DANWWUCXDKCMTJ-UHFFFAOYSA-N",382770,NA,"PDBC11979","670448","Present",NA,NA
+"11980","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 4,5'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5-Dimethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=CC2=C(C=C1)C(=O)C3(C2)CC4=C(C=CC=C4C3=O)C","LXZLFIFZFBIBIZ-UHFFFAOYSA-N",385728,NA,"PDBC11980","677075","Present",NA,NA
+"11981","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Methyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=C2CC3(CC4=CC=CC=C4C3=O)C(=O)C2=CC=C1","ZRRNYIMZJLXPON-UHFFFAOYSA-N",385730,NA,"PDBC11981","677077","Present",NA,NA
+"11982","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 5,5'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 5,5'-dimethyl-",NA,"CC1=CC2=C(C=C1)C(=O)C3(C2)CC4=C(C3=O)C=CC(=C4)C","UJXKFTHDGFMVQL-UHFFFAOYSA-N",382771,NA,"PDBC11982","670449","Present",NA,NA
+"11983","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 5,7'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5',7-Dimethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=CC2=C(C=C1)C(=O)C3(C2)CC4=CC=CC(=C4C3=O)C","IXFSVXQNBWXJQE-UHFFFAOYSA-N",385733,NA,"PDBC11983","677080","Present",NA,NA
+"11984","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 5-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Methyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=CC2=C(C=C1)C(=O)C3(C2)CC4=CC=CC=C4C3=O","QLFIIUJTKPXBNA-UHFFFAOYSA-N",385731,NA,"PDBC11984","677078","Present",NA,NA
+"11985","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6,6'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6,6'-dimethyl-",NA,"CC1=CC2=C(CC3(C2=O)CC4=C(C3=O)C=C(C=C4)C)C=C1","NKWKTWPRKATJDK-UHFFFAOYSA-N",382769,NA,"PDBC11985","670447","Present",NA,NA
+"11986","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6,7'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7'-Dimethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=CC2=C(CC3(C2=O)CC4=CC=CC(=C4C3=O)C)C=C1","UNAGLJYTOBGKMU-UHFFFAOYSA-N",385727,NA,"PDBC11986","677074","Present",NA,NA
+"11987","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 6-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=CC2=C(CC3(C2=O)CC4=CC=CC=C4C3=O)C=C1","PRJYHNITQCDTKY-UHFFFAOYSA-N",385729,NA,"PDBC11987","677076","Present",NA,NA
+"11988","2,2'-Spirobi[2H-indene]-1,1'(3'H,3H)-dione, 7-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7'-Methyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=C2C(=CC=C1)CC3(C2=O)CC4=CC=CC=C4C3=O","WAHMPYXDAXDXOO-UHFFFAOYSA-N",385732,NA,"PDBC11988","677079","Present",NA,NA
+"11989","2,2'-Spirobi[2H-indene]-5,5'-dibutanoic acid, 1,1',3,3'-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-indene]-5,5'-dibutanoic acid, 1,1',3,3'-tetrahydro-",NA,"C1C2=C(CC13CC4=C(C3)C=C(C=C4)CCCC(=O)O)C=C(C=C2)CCCC(=O)O","PJCMQCCSTFYTBF-UHFFFAOYSA-N",382757,NA,"PDBC11989","670435","Present",NA,NA
+"11990","2,2'-Spirobi[2H-indene]-5,5'-dipropanoic acid, 1,1',3,3'-tetrahydro-, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-indene]-5,5'-dipropanoic acid, 1,1',3,3'-tetrahydro-, dimethyl ester",NA,"COC(=O)CCC1=CC2=C(CC3(C2)CC4=C(C3)C=C(C=C4)CCC(=O)OC)C=C1","UAQQDFQKGYGTSM-UHFFFAOYSA-N",382745,NA,"PDBC11990","670423","Present",NA,NA
+"11991","2,2'-Spirobi[2H-indene]-5-butanoic acid, 1,1',3,3'-tetrahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-indene]-5-butanoic acid, 1,1',3,3'-tetrahydro-, methyl ester",NA,"COC(=O)CCCC1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1","YFRPNPMAVUXPII-UHFFFAOYSA-N",382742,NA,"PDBC11991","670420","Present",NA,NA
+"11992","2,2'-Spirobi[2H-indene]-5-butanoic acid, 5'-carboxy-6-ethyl-1,1',3,3'-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-indene]-5-butanoic acid, 5'-carboxy-6-ethyl-1,1',3,3'-tetrahydro-",NA,"CCC1=C(C=C2CC3(CC4=C(C3)C=C(C=C4)C(=O)O)CC2=C1)CCCC(=O)O","IJXUAEAOFQKZJH-UHFFFAOYSA-N",382640,NA,"PDBC11992","670288","Present",NA,NA
+"11993","2,2'-Spirobi[2H-indene]-5-carboxylic acid, 1,1',3,3'-tetrahydro-1'-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Oxospiro[1,3-dihydroindene-2,2'-1H-indene]-5-carboxylic acid",NA,"C1C2=C(CC13CC4=CC=CC=C4C3=O)C=C(C=C2)C(=O)O","FQTZJJIQXAJOOW-UHFFFAOYSA-N",384727,NA,"PDBC11993","674963","Present",NA,NA
+"11994","2,2'-Spirobi[2H-indene]-5-carboxylic acid, 1,1',3,3'-tetrahydro-1'-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-indene]-5-carboxylic acid, 1,1',3,3'-tetrahydro-1'-oxo-, methyl ester",NA,"COC(=O)C1=CC2=C(CC3(C2)CC4=CC=CC=C4C3=O)C=C1","RJBGYEUVIFZJGS-UHFFFAOYSA-N",382658,NA,"PDBC11994","670306","Present",NA,NA
+"11995","2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-",NA,"C1C2=C(CC13CC4=CC=CC=C4C3)C=C(C=C2)CCC(=O)O","UJQZMEIQNVWTFM-UHFFFAOYSA-N",382739,NA,"PDBC11995","670417","Present",NA,NA
+"11996","2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-indene]-5-propanoic acid, 1,1',3,3'-tetrahydro-, methyl ester",NA,"COC(=O)CCC1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1","FBSPLRDIDLJAFT-UHFFFAOYSA-N",382740,NA,"PDBC11996","670418","Present",NA,NA
+"11997","2,2'-Spirobi[3,5,6,7-tetrahydro-s-indacene]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'(1H,1'H)-Spirobi[s-indacene]-1,1'-dione, 3,3',5,5',6,6',7,7'-octahydro-",NA,"C1CC2=CC3=C(C=C2C1)C(=O)C4(C3)CC5=C(C4=O)C=C6CCCC6=C5","YCYKVXFWSKERCH-UHFFFAOYSA-N",384709,NA,"PDBC11997","674945","Present",NA,NA
+"11998","2,2'-Spirobi[3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5,5'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[2H-benz[f]indene]-5,5'-dione, 1,1',3,3',5,5...",NA,"C1CC2=CC3=C(CC4(C3)CC5=C(C4)C=C6C(=C5)CCCC6=O)C=C2C(=O)C1","AKPUCJQSLKCIIJ-UHFFFAOYSA-N",382634,NA,"PDBC11998","670283","Present",NA,NA
+"11999","2,2'-Spirobi[5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-3,3'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobi[5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-3,3'-dione",NA,"C1CCC2=CC3=C(CC4(C3=O)CC5=C(C4=O)C=C6CCCCC6=C5)C=C2C1","VKMWHPCYDCLWQX-UHFFFAOYSA-N",384717,NA,"PDBC11999","674953","Present",NA,NA
+"12000","2,2'-Spirobiindan-5-carbaldehyd",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobiindan-5-carbaldehyd",NA,"C1C2=C(CC13CC4=CC=CC=C4C3)C=C(C=C2)C=O","LWQRLWQWMXFJQD-UHFFFAOYSA-N",382736,NA,"PDBC12000","670414","Present",NA,NA
+"12001","2,2'-Spirobiindanon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Spirobiindanon",NA,"C1C2=CC=CC=C2CC13CC4=CC=CC=C4C3=O","BAYHTRRWPFVBSU-UHFFFAOYSA-N",385659,NA,"PDBC12001","677005","Present",NA,NA
+"12002","2,2'-Thiobis[4-bromophenol]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC106085",NA,"C1=CC(=C(C=C1Br)SC2=C(C=CC(=C2)Br)O)O","HQRWNPFVXNLBJX-UHFFFAOYSA-N",219589,NA,"PDBC12002","106085","Present",NA,NA
+"12003","2,2'-[(2,6-Dimethyl-1,4-dihydropyridine-3,5-diyl)bis(carbonylhydrazine-2,1-diyl)]bis(2-oxoacetamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-[(2,6-Dimethyl-1,4-dihydropyridine-3,5-diyl)bis(carbonylhydrazine-2,1-diyl)]bis(2-oxoacetamide)",NA,"CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C(=O)N)C(=O)NNC(=O)C(=O)N","JCIZQUPIWRPYJT-UHFFFAOYSA-N",377035,NA,"PDBC12003","658252","Present",NA,NA
+"12004","2,2'-[(Benzylimino)bis(2-hydroxypropane-3,1-diyl)]bis[4,6-dimethylisothiazolo[5,4-b]pyridine-3(2H)-one]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[Benzyl-[3-(4,6-dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-2-hydroxypropyl]amino]-2-hydroxypropyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one",NA,"CC1=CC(=NC2=C1C(=O)N(S2)CC(CN(CC3=CC=CC=C3)CC(CN4C(=O)C5=C(S4)N=C(C=C5C)C)O)O)C","PHNZSZARZOGBKP-UHFFFAOYSA-N",401231,NA,"PDBC12004","714438","Present",NA,NA
+"12005","2,2'-[(E)-Ethene-1,2-diyl]bis(4,4-dimethyl-2-oxazoline)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2-(4,4-Dimethyl-5H-1,3-oxazol-2-yl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole",NA,"CC1(COC(=N1)C=CC2=NC(CO2)(C)C)C","PXWBFBGUOIFCFI-AATRIKPKSA-N",5472250,NA,"PDBC12005","717227","Present",NA,NA
+"12006","2,2'-[(Methylazanediyl)bis(methylene)]bis(4,6-dibromophenol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromo-6-[[(3,5-dibromo-2-hydroxyphenyl)methyl-methylamino]methyl]phenol",NA,"CN(CC1=C(C(=CC(=C1)Br)Br)O)CC2=C(C(=CC(=C2)Br)Br)O","GPUQTFCKYDVYTD-UHFFFAOYSA-N",241461,NA,"PDBC12006","48856","Present",NA,NA
+"12007","2,2'-[(Tert-Butylazanediyl)bis(methylene)]bis(1-phenylprop-2-en-1-one)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-Benzoylprop-2-enyl(tert-butyl)amino]methyl]-1-phenylprop-2-en-1-one",NA,"CC(C)(C)N(CC(=C)C(=O)C1=CC=CC=C1)CC(=C)C(=O)C2=CC=CC=C2","ZNBGMAWFRAVLSE-UHFFFAOYSA-N",329639,NA,"PDBC12007","313430","Present",NA,NA
+"12008","2,2'-[1,2-Phenylenebis(2,1-ethynediyl)]bispyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-[1,2-Phenylenebis(2,1-ethynediyl)]bispyrazine",NA,"C1=CC=C(C(=C1)C#CC2=NC=CN=C2)C#CC3=NC=CN=C3","JCOXWRIPTHFQGY-UHFFFAOYSA-N",11471574,NA,"PDBC12008","728063","Present",NA,NA
+"12009","2,2'-[2,2,2-Trichloroethylidenebis(2,4,6-trichloro-3,1-phenyleneoxy)]bisacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[1-[3-(Carboxymethoxy)-2,4,6-trichlorophenyl]-2,2,2-trichloroethyl]-2,4,6-trichlorophenoxy]acetic acid",NA,"C1=C(C(=C(C(=C1Cl)OCC(=O)O)Cl)C(C2=C(C(=C(C=C2Cl)Cl)OCC(=O)O)Cl)C(Cl)(Cl)Cl)Cl","HRGNUJICNHWJBA-UHFFFAOYSA-N",402642,NA,"PDBC12009","716817","Present",NA,NA
+"12010","2,2'-[Iminobis(p-phenylene)]bis[5-benzoyl-4,5,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3(2H,3aH)-dione]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzoyl-2-[4-[4-(9-benzoyl-1,3-dioxo-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazol-2-yl)anilino]phenyl]-3a,4,10,10a-tetrahydropyrrolo[3,4-b]carbazole-1,3-dione",NA,"C1C2C(CC3=C1C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)C(=O)N(C2=O)C6=CC=C(C=C6)NC7=CC=C(C=C7)N8C(=O)C9CC1=C(CC9C8=O)N(C2=CC=CC=C12)C(=O)C1=CC=CC=C1","HLAKLQHSCSQERH-UHFFFAOYSA-N",399652,NA,"PDBC12010","710570","Present",NA,NA
+"12011","2,2'-biphenylene-2,3-diyldipropan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-biphenylene-2,3-diyldipropan-2-ol",NA,"CC(C)(C1=C(C=C2C3=CC=CC=C3C2=C1)C(C)(C)O)O","ADHARPKLSLMHTA-UHFFFAOYSA-N",393453,NA,"PDBC12011","695361","Present",NA,NA
+"12012","2,2'-spirobi[indane]-1'-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-spirobi[indane]-1'-ol",NA,"C1C2=CC=CC=C2CC13CC4=CC=CC=C4C3O","KUXFQQAPAYYJSE-UHFFFAOYSA-N",382657,NA,"PDBC12012","670305","Present",NA,NA
+"12013","2,2'-spirobi[indane]-5,5'-dicarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-spirobi[indane]-5,5'-dicarbaldehyde",NA,"C1C2=C(CC13CC4=C(C3)C=C(C=C4)C=O)C=C(C=C2)C=O","VPVBRPGAAPMUKK-UHFFFAOYSA-N",382743,NA,"PDBC12013","670421","Present",NA,NA
+"12014","2,2':3',2''-Ternaphthalene-1,1',1'',4,4',4''-hexone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2':3',2''-Ternaphthalene-1,1',1'',4,4',4''-hexone",NA,"C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3=C(C(=O)C4=CC=CC=C4C3=O)C5=CC(=O)C6=CC=CC=C6C5=O","JIVXUZHUGUHWIF-UHFFFAOYSA-N",394543,NA,"PDBC12014","698088","Present",NA,NA
+"12015","2,2':3',2''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"X4145",NA,"C1=CSC(=C1)C2=C(SC=C2)C3=CC=CS3","SBVKMIQOXJYJIM-UHFFFAOYSA-N",395532,NA,"PDBC12015","700222","Present",NA,NA
+"12016","2,2':4',2''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27121899",NA,"C1=CSC(=C1)C2=CC(=CS2)C3=CC=CS3","DNAIRPZIPJONCV-UHFFFAOYSA-N",395533,NA,"PDBC12016","700224","Present",NA,NA
+"12017","2,2':4',3''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Thienyl)-4-(3-thienyl)thiophene",NA,"C1=CSC(=C1)C2=CC(=CS2)C3=CSC=C3","GSPDNJBBBDKLTN-UHFFFAOYSA-N",395541,NA,"PDBC12017","700233","Present",NA,NA
+"12018","2,2':4,5]Pyrrolo[1,2-C][1,2,3]benzotriazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-DIMETHOXY-1-NITROSOPYRIDO[3',2':4,5]PYRROLO[1,2-C][1...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(N3N=N2)N=CC=C4)N=O)OC","NUOXXBSZMYVIBM-UHFFFAOYSA-N",54613655,NA,"PDBC12018","747652","Present",NA,NA
+"12019","2,2':4,5]Pyrrolo[3,2-C]cinnoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-DIMETHOXY-5H-PYRIDO[3',2':4,5]PYRROLO[3,2-C]CINNOLINE",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(N3)N=CC=C4)N=N2)OC","CVWFCHIPHIRPJF-UHFFFAOYSA-N",54613653,NA,"PDBC12019","747650","Present",NA,NA
+"12020","2,2':5',2''-Terfuran-5,5''-bismethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5''-Dihydroxymethyl-2,2',5',2''-terfuran",NA,"C1=C(OC(=C1)C2=CC=C(O2)C3=CC=C(O3)CO)CO","KSYJABTUUWKBFC-UHFFFAOYSA-N",10563267,NA,"PDBC12020","672348","Present",NA,NA
+"12021","2,2':5',3''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27121895",NA,"C1=CSC(=C1)C2=CC=C(S2)C3=CSC=C3","AYFTWZXEBAYLHM-UHFFFAOYSA-N",395535,NA,"PDBC12021","700226","Present",NA,NA
+"12022","2,2':6',2''-Terpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.,.alpha.',.alpha.''-Tripyridyl///tripyridyl",NA,"C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3","DRGAZIDRYFYHIJ-UHFFFAOYSA-N",70848,NA,"PDBC12022","36755///3905","Present",NA,NA
+"12023","2,2(1H)-Naphthalenedipropanenitrile, 3,4-dihydro-1-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(2-Cyanoethyl)-1-oxo-tetralin-2-yl]propanenitrile",NA,"C1CC(C(=O)C2=CC=CC=C21)(CCC#N)CCC#N","HKVIHDTVSGQETE-UHFFFAOYSA-N",380758,NA,"PDBC12023","666466","Present",NA,NA
+"12024","2,2,2-Trichloro-1-(5-(3-methyl-5-isoxazolyl)-1H-pyrrol-2-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trichloro-1-(5-(3-methyl-5-isoxazolyl)-1H-pyrrol-2-yl)ethanone",NA,"CC1=NOC(=C1)C2=CC=C(N2)C(=O)C(Cl)(Cl)Cl","GHWKTZLPCIUYAV-UHFFFAOYSA-N",392533,NA,"PDBC12024","693049","Present",NA,NA
+"12025","2,2,2-Trichloro-N-[(1E)-1-trimethylsilylbuta-1,3-dienyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trichloro-N-[(1E)-1-trimethylsilylbuta-1,3-dienyl]acetamide",NA,"C[Si](C)(C)C(=CC=C)NC(=O)C(Cl)(Cl)Cl","OFYUTQCZKGDROE-VOTSOKGWSA-N",5386714,NA,"PDBC12025","617335","Present",NA,NA
+"12026","2,2,2-Trichloro-N-[(E)-3-dimethoxyphosphoryl-1-phenylprop-2-enyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trichloro-N-[(E)-3-dimethoxyphosphoryl-1-phenylprop-2-enyl]acetamide",NA,"COP(=O)(C=CC(C1=CC=CC=C1)NC(=O)C(Cl)(Cl)Cl)OC","HNQAAPCNCAGSJB-CMDGGOBGSA-N",5470786,NA,"PDBC12026","705131","Present",NA,NA
+"12027","2,2,2-Trichloroethyl (3R)-3-cyclohexylpyrrolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697388",NA,"C1CCC(CC1)C2CCN(C2)C(=O)OCC(Cl)(Cl)Cl","GZKGPCKVFMKVNB-NSHDSACASA-N",394154,NA,"PDBC12027","697388","Present",NA,NA
+"12028","2,2,2-Trichloroethyl 2,2-diethoxyethyl(methyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trichloroethyl 2,2-diethoxyethyl(methyl)carbamate",NA,"CCOC(CN(C)C(=O)OCC(Cl)(Cl)Cl)OCC","NYMZRSXIJBXEOP-UHFFFAOYSA-N",337570,NA,"PDBC12028","356124","Present",NA,NA
+"12029","2,2,2-Trichloroethyl N-(4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trichloroethyl N-(4-methoxy-2,2,6-trimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl)carbamate",NA,"CC1C(C2C(C(O1)OC)OC(O2)(C)C)NC(=O)OCC(Cl)(Cl)Cl","YFKJKRUBPJRRGY-UHFFFAOYSA-N",375639,NA,"PDBC12029","655461","Present",NA,NA
+"12030","2,2,2-Trifluoro-1-((6-methyl-4-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-2-pyridinyl)methyl)-1-(trifluoromethyl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, 1,1,1-trifluoro-2-(trifluoromethyl)- 3-[4-[...",NA,"CC1=CC(=CC(=N1)CC(C(F)(F)F)(C(F)(F)F)OC(=O)C)C=C(C(F)(F)F)C(F)(F)F","UOBWIWXRJULNDE-UHFFFAOYSA-N",379616,NA,"PDBC12030","664323","Present",NA,NA
+"12031","2,2,2-Trifluoro-1-(2-quinolinylmethyl)-1-(trifluoromethyl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, 1,1,1-trifluoro-2-(trifluoromethyl)-3-(2-qu...",NA,"CC(=O)OC(CC1=NC2=CC=CC=C2C=C1)(C(F)(F)F)C(F)(F)F","BKFHAXQKLFFRNM-UHFFFAOYSA-N",379602,NA,"PDBC12031","664303","Present",NA,NA
+"12032","2,2,2-Trifluoro-1-(7-hydroxy-9-methoxy-7-(trifluoromethyl)-7,12-dihydrobenzo[c]acridin-5-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-1-(7-hydroxy-9-methoxy-7-(trifluoromethyl)-7,12-dihydrobenzo[c]acridin-5-yl)ethanone",NA,"COC1=CC2=C(C=C1)NC3=C(C2(C(F)(F)F)O)C=C(C4=CC=CC=C43)C(=O)C(F)(F)F","KVKAGQUIZDIOTF-UHFFFAOYSA-N",372108,NA,"PDBC12032","646982","Present",NA,NA
+"12033","2,2,2-Trifluoro-1-[1-(4-methoxyphenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-1-[1-(4-methoxyphenyl)-2-methyl-4-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]ethanone",NA,"CC1=C(C(=CN1C2=CC=C(C=C2)OC)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C(F)(F)F","LAKYKMAFLCVVJB-UHFFFAOYSA-N",45027962,NA,"PDBC12033","740353","Present",NA,NA
+"12034","2,2,2-Trifluoro-1-[15-methoxy-13-nitro-9-(2,2,2-trifluoroacetyl)-6-oxa-3,9-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-1-[15-methoxy-13-nitro-9-(2,2,2-trifluoroacetyl)-6-oxa-3,9-diazabicyclo[9.3.1]pentadeca-1(14),11(15),12-trien-3-yl]ethanone",NA,"COC1=C2CN(CCOCCN(CC1=CC(=C2)[N+](=O)[O-])C(=O)C(F)(F)F)C(=O)C(F)(F)F","OBKDQBQASJHSIQ-UHFFFAOYSA-N",394570,NA,"PDBC12034","698136","Present",NA,NA
+"12035","2,2,2-Trifluoro-1-[2-methyl-2-propan-2-yl-4-(trifluoromethyl)-1H-benzo[h]quinazolin-6-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-1-[2-isopropyl-2-methyl-4-(trifluoromethyl)-3h-benzo[h]quinazolin-6-yl]ethanone",NA,"CC(C)C1(NC2=C(C=C(C3=CC=CC=C32)C(=O)C(F)(F)F)C(=N1)C(F)(F)F)C","DHOGJOPTAKYHTD-UHFFFAOYSA-N",135426671,NA,"PDBC12035","706491","Present",NA,NA
+"12036","2,2,2-Trifluoro-1-[4-(trifluoromethyl)spiro[1H-benzo[h]quinazoline-2,1'-cyclohexane]-6-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-1-[4-(trifluoromethyl)spiro[1H-benzo[h]quinazoline-2,1'-cyclohexane]-6-yl]ethanone",NA,"C1CCC2(CC1)NC3=C(C=C(C4=CC=CC=C43)C(=O)C(F)(F)F)C(=N2)C(F)(F)F","BNEIHCFIMLEFNN-UHFFFAOYSA-N",135426727,NA,"PDBC12036","711692","Present",NA,NA
+"12037","2,2,2-Trifluoro-1-[6-(2,2,2-trifluoroacetyl)-1,2-dihydroacenaphthylen-5-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-1-[6-(2,2,2-trifluoroacetyl)-1,2-dihydroacenaphthylen-5-yl]ethanone",NA,"C1CC2=CC=C(C3=C(C=CC1=C23)C(=O)C(F)(F)F)C(=O)C(F)(F)F","XMXQABLRJYALBF-UHFFFAOYSA-N",358621,NA,"PDBC12037","618629","Present",NA,NA
+"12038","2,2,2-Trifluoro-N-(2-methoxy-4-nitrophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK412311",NA,"COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(F)(F)F","LREYANUORWHHDJ-UHFFFAOYSA-N",354342,NA,"PDBC12038","605765","Present",NA,NA
+"12039","2,2,2-Trifluoro-N-(2-oxocyclopentyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F9994-6556",NA,"C1CC(C(=O)C1)NC(=O)C(F)(F)F","YGPMJMUHCRQNQP-UHFFFAOYSA-N",358975,NA,"PDBC12039","619171","Present",NA,NA
+"12040","2,2,2-Trifluoro-N-(2-propynyl)-N-(4-(4-(2-propynyl(trifluoroacetyl)amino)benzoyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-N-(2-propynyl)-N-(4-(4-(2-propynyl(trifluoroacetyl)amino)benzoyl)phenyl)acetamide",NA,"C#CCN(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC#C)C(=O)C(F)(F)F)C(=O)C(F)(F)F","KJCCXICGSJYVMF-UHFFFAOYSA-N",365543,NA,"PDBC12040","633244","Present",NA,NA
+"12041","2,2,2-Trifluoro-N-(3-((2-naphthylmethyl)(4-((2-naphthylmethyl)(3-((trifluoroacetyl)amino)propyl)amino)butyl)amino)propyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Butanediamine, N,N'-bis[(2-naphthalenyl)methyl- N,N'...",NA,"C1=CC=C2C=C(C=CC2=C1)CN(CCCCN(CCCNC(=O)C(F)(F)F)CC3=CC4=CC=CC=C4C=C3)CCCNC(=O)C(F)(F)F","UXFATSAFEVUKRA-UHFFFAOYSA-N",389638,NA,"PDBC12041","685981","Present",NA,NA
+"12042","2,2,2-Trifluoro-N-(3-((2-naphthylmethyl)(4-((trifluoroacetyl)amino)butyl)amino)propyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-N-(3-((2-naphthylmethyl)(4-((trifluoroacetyl)amino)butyl)amino)propyl)acetamide",NA,"C1=CC=C2C=C(C=CC2=C1)CN(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","QEMWHBAKPACNCO-UHFFFAOYSA-N",389626,NA,"PDBC12042","685972","Present",NA,NA
+"12043","2,2,2-Trifluoro-N-(4-hydroxy-3-methoxybenzyl)-N-(10-undecenoyloxy)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-N-(4-hydroxy-3-methoxybenzyl)-N-(10-undecenoyloxy)acetamide",NA,"COC1=C(C=CC(=C1)CN(C(=O)C(F)(F)F)OC(=O)CCCCCCCCC=C)O","GUWJDYGTQODFBK-UHFFFAOYSA-N",379576,NA,"PDBC12043","664265","Present",NA,NA
+"12044","2,2,2-Trifluoro-N-(4-hydroxybut-2-ynyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-N-(4-hydroxybut-2-ynyl)acetamide",NA,"C(C#CCO)NC(=O)C(F)(F)F","KCELTCFMLPYTQM-UHFFFAOYSA-N",359213,NA,"PDBC12044","619922","Present",NA,NA
+"12045","2,2,2-Trifluoro-N-(6-methoxy-2-phenyl-8-propyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-N-(6-methoxy-2-phenyl-8-propyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide",NA,"CCCC1(CC(OC2C1OC(OC2)C3=CC=CC=C3)OC)NC(=O)C(F)(F)F","WHOKFUQXNVEIBT-UHFFFAOYSA-N",384395,NA,"PDBC12045","674118","Present",NA,NA
+"12046","2,2,2-Trifluoro-N-(6-methoxy-8-methyl-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-N-(6-methoxy-8-methyl-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide",NA,"CC1(CC(OC2C1OC(OC2)C3=CC=CC=C3)OC)NC(=O)C(F)(F)F","JSDNZWQQFHOALK-UHFFFAOYSA-N",384393,NA,"PDBC12046","674116","Present",NA,NA
+"12047","2,2,2-Trifluoro-N-[1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-N-[1-[2-(1H-indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]acetamide",NA,"C1CN=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC(=O)C(F)(F)F","UBNZLSBEHXCJSC-UHFFFAOYSA-N",379720,NA,"PDBC12047","664696","Present",NA,NA
+"12048","2,2,2-Trifluoro-N-[2-[3-(4-methoxybenzoyl)-1H-indol-2-yl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-N-[2-[3-(4-methoxybenzoyl)-1H-indol-2-yl]phenyl]acetamide",NA,"COC1=CC=C(C=C1)C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4NC(=O)C(F)(F)F","VMBHYKCXIBWLRW-UHFFFAOYSA-N",402839,NA,"PDBC12048","717092","Present",NA,NA
+"12049","2,2,2-Trifluoro-N-[2-[5-oxo-3-[2-oxo-2-(phenylcarbamoylamino)ethyl]sulfanyl-4H-1,2,4-triazin-6-yl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-N-[2-[5-oxo-3-[2-oxo-2-(phenylcarbamoylamino)ethyl]sulfanyl-4H-1,2,4-triazin-6-yl]phenyl]acetamide",NA,"C1=CC=C(C=C1)NC(=O)NC(=O)CSC2=NN=C(C(=O)N2)C3=CC=CC=C3NC(=O)C(F)(F)F","CSAPRDGWGJGMEV-UHFFFAOYSA-N",135438258,NA,"PDBC12049","623088","Present",NA,NA
+"12050","2,2,2-Trifluoro-N-[3-[3-phenylpropyl-[4-[3-phenylpropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trifluoro-N-[3-[3-phenylpropyl-[4-[3-phenylpropyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]acetamide",NA,"C1=CC=C(C=C1)CCCN(CCCCN(CCCC2=CC=CC=C2)CCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","XQSNHBODALMVGJ-UHFFFAOYSA-N",389635,NA,"PDBC12050","685979","Present",NA,NA
+"12051","2,2,2-Trifluoroethyl N-(1,3-benzothiazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzothiazol-2-yl-carbamic acid, 2,2,2-trifluoro-et...",NA,"C1=CC=C2C(=C1)N=C(S2)NC(=O)OCC(F)(F)F","PQTVLABBSSEIMV-UHFFFAOYSA-N",45792391,NA,"PDBC12051","764927","Present",NA,NA
+"12052","2,2,21,21-Tetraoxo-2lambda6,21lambda6-dithia-7,10,13,16,26,29,32,35-octazaheptacyclo[34.2.2.23,6.210,13.217,20.222,25.229,32]pentaconta-1(38),3(50),4,6(49),17(46),18,20(45),22,24,36,39,43-dodecaene-8,15,27,34-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,21,21-Tetraoxo-2lambda6,21lambda6-dithia-7,10,13,16,26,29,32,35-octazaheptacyclo[34.2.2.23,6.210,13.217,20.222,25.229,32]pentaconta-1(38),3(50),4,6(49),17(46),18,20(45),22,24,36,39,43-dodecaene-8,",NA,"C1CN2CCN1CC(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC(=O)CN5CCN(CC5)CC(=O)NC6=CC=C(C=C6)S(=O)(=O)C7=CC=C(C=C7)NC(=O)C2","BAJKVMCRMMOUKL-UHFFFAOYSA-N",235431,NA,"PDBC12052","36806","Present",NA,NA
+"12053","2,2,3,3,3-Pentachloropropyl phenyl ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,4,4,4-pentachloro-1-phenylbutan-1-one",NA,"C1=CC=C(C=C1)C(=O)CC(C(Cl)(Cl)Cl)(Cl)Cl","FJBSUHGAHUQDTQ-UHFFFAOYSA-N",405828,NA,"PDBC12053","723515","Present",NA,NA
+"12054","2,2,3,3,4,4,5,5-Octamethylcyclopentanone O-ethyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,3,3,4,4,5,5-Octamethylcyclopentanone O-ethyloxime",NA,"CCON=C1C(C(C(C1(C)C)(C)C)(C)C)(C)C","VQUHKHQUXGLZPJ-UHFFFAOYSA-N",301248,NA,"PDBC12054","177764","Present",NA,NA
+"12055","2,2,3,3,5,7,9,9-Octamethyl-6-thioxo-1-thia-5,7-diazaspiro[3.5]nonan-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,3,3,5,7,9,9-Octamethyl-6-thioxo-1-thia-5,7-diazaspiro[3.5]nonan-8-one",NA,"CC1(C(=O)N(C(=S)N(C12C(C(S2)(C)C)(C)C)C)C)C","LKPYZJWBTVTLCQ-UHFFFAOYSA-N",366460,NA,"PDBC12055","634867","Present",NA,NA
+"12056","2,2,3,3-Tetrafluorooctahydro-1-benzothiophene-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,3,3-Tetrafluorooctahydro-1-benzothiophene-4-carbonitrile",NA,"C1CC(C2C(C1)SC(C2(F)F)(F)F)C#N","YGWLUAYAMMOYSR-UHFFFAOYSA-N",380206,NA,"PDBC12056","665680","Present",NA,NA
+"12057","2,2,3,3-Tetrafluorotetradecahydrocyclododeca[b]thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,3,3-Tetrafluorotetradecahydrocyclododeca[b]thiophene",NA,"C1CCCCCC2C(CCCC1)C(C(S2)(F)F)(F)F","SNQYPOWAUMTABQ-UHFFFAOYSA-N",380205,NA,"PDBC12057","665676","Present",NA,NA
+"12058","2,2,3,3-Tetramethyl-5,6-bis(6-methyl-2-pyridinyl)-2,3-dihydropyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,3,3-Tetramethyl-5,6-bis(6-methyl-2-pyridinyl)-2,3-dihydropyrazine",NA,"CC1=NC(=CC=C1)C2=NC(C(N=C2C3=CC=CC(=N3)C)(C)C)(C)C","LKGQJNVEMMHIJF-UHFFFAOYSA-N",373510,NA,"PDBC12058","649911","Present",NA,NA
+"12059","2,2,3,3-Tetramethyl-5,6-di(2-pyridinyl)-2,3-dihydropyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,3,3-Tetramethyl-5,6-di(2-pyridinyl)-2,3-dihydropyrazine",NA,"CC1(C(N=C(C(=N1)C2=CC=CC=N2)C3=CC=CC=N3)(C)C)C","GEHCXIGOXKLKSQ-UHFFFAOYSA-N",371495,NA,"PDBC12059","645790","Present",NA,NA
+"12060","2,2,3,5,5-Pentamethyl-4-(nitrosomethylene)-1-imidazolidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,3,5,5-Pentamethyl-4-(nitrosomethylene)-1-imidazolidinol",NA,"CC1(C(=CN=O)N(C(N1O)(C)C)C)C","YUYYJXQDTGICEX-SREVYHEPSA-N",3005061,NA,"PDBC12060","669457","Present",NA,NA
+"12061","2,2,4,4,5-Pentamethyl-3-nitroso-1-oxidoimidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole, 2,5-dihydro-2,2,4,5,5-pentamethyl-1-nitroso-, 3-oxide",NA,"CC1=[N+](C(N(C1(C)C)N=O)(C)C)[O-]","MTRGVDONQNKDSM-UHFFFAOYSA-N",378670,NA,"PDBC12061","661467","Present",NA,NA
+"12062","2,2,4,4-Tetraethyl-1,3,5,2,4-trioxadistanninan-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5,2,4-Trioxadistannin-6-one, 2,2,4,4-tetraethyl-",NA,"CC[Sn]1(OC(=O)O[Sn](O1)(CC)CC)CC","NXQGPCOTDYVKOH-UHFFFAOYSA-L",16683517,NA,"PDBC12062","356200","Present",NA,NA
+"12063","2,2,4,4-Tetramethyl-1,3-cyclobutanedione 1-hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydrazinylidene-2,2,4,4-tetramethyl-cyclobutanone",NA,"CC1(C(=NN)C(C1=O)(C)C)C","DJASPJOKYWJWHM-UHFFFAOYSA-N",369736,NA,"PDBC12063","641831","Present",NA,NA
+"12064","2,2,4,4-Tetramethyl-1,3-cyclobutanedione bis(tert-butylhydrazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[3-(Tert-butylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]-2-methylpropan-2-amine",NA,"CC1(C(=NNC(C)(C)C)C(C1=NNC(C)(C)C)(C)C)C","SIRJLDOWEOIBQC-UHFFFAOYSA-N",369729,NA,"PDBC12064","641824","Present",NA,NA
+"12065","2,2,4,4-Tetramethyl-1alpha,3alpha-dichloro-1,3-bis(acetyldithio)cyclobutane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[3-(Acetyldisulfanyl)-1,3-dichloro-2,2,4,4-tetramethylcyclobutyl]sulfanyl ethanethioate",NA,"CC(=O)SSC1(C(C(C1(C)C)(SSC(=O)C)Cl)(C)C)Cl","JHUZEBDVAAMKGA-UHFFFAOYSA-N",402835,NA,"PDBC12065","717088","Present",NA,NA
+"12066","2,2,4,4-Tetramethyl-3-thioxocyclobutanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SVRXPTCPQFXZSF-UHFFFAOYSA-N",NA,"CC1(C(=O)C(C1=S)(C)C)C","SVRXPTCPQFXZSF-UHFFFAOYSA-N",373949,NA,"PDBC12066","650981","Present",NA,NA
+"12067","2,2,4,5,5-Pentamethyl-1-imidazolidinol 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK525169",NA,"CC1=[N+](C(N(C1(C)C)O)(C)C)[O-]","ANKGMEQLPXFSPL-UHFFFAOYSA-N",379371,NA,"PDBC12067","663915","Present",NA,NA
+"12068","2,2,4,8-Tetramethyl-7-phenyl-9H-[1,3]oxathiolo[4,5-f]chromen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,4,8-Tetramethyl-7-phenyl-9H-[1,3]oxathiolo[4,5-f]chromen-9-one",NA,"CC1=CC2=C(C3=C1OC(S3)(C)C)C(=O)C(=C(O2)C4=CC=CC=C4)C","FROPCGUFZGGZAV-UHFFFAOYSA-N",372610,NA,"PDBC12068","647971","Present",NA,NA
+"12069","2,2,4,8-Tetramethyl-9H-[1,3]oxathiolo[4,5-f]chromen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,4,8-Tetramethyl-9H-[1,3]oxathiolo[4,5-f]chromen-9-one",NA,"CC1=CC2=C(C3=C1OC(S3)(C)C)C(=O)C(=CO2)C","FKQVTENSZITDMN-UHFFFAOYSA-N",372609,NA,"PDBC12069","647970","Present",NA,NA
+"12070","2,2,4,8-Tetramethyltricyclo[5.3.1.04,11]undecan-11-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,4,8-Tetramethyltricyclo[5.3.1.04,11]undecan-11-ol",NA,"CC1CCC2C(CC3(C2(C1CC3)O)C)(C)C","ZCRYDCBITZERMT-UHFFFAOYSA-N",390632,NA,"PDBC12070","688234","Present",NA,NA
+"12071","2,2,4-Trimethyl-2,3-dihydronaphtho[1,2-b]furan-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,4-Trimethyl-2,3-dihydronaphtho[1,2-b]furan-5-yl acetate",NA,"CC1=C(C2=CC=CC=C2C3=C1CC(O3)(C)C)OC(=O)C","CPIWBFHLFXRTNX-UHFFFAOYSA-N",391198,NA,"PDBC12071","690031","Present",NA,NA
+"12072","2,2,4-Trimethyl-2H-imidazole 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TMIO",NA,"CC1=NC([N+](=C1)[O-])(C)C","CNIGTNPXWSLRPH-UHFFFAOYSA-N",379378,NA,"PDBC12072","663921","Present",NA,NA
+"12073","2,2,5,5-Tetramethyl-1,3-dioxane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YIAOLYVBBMEBIJ-UHFFFAOYSA-N",NA,"CC1(C(=O)OC(OC1=O)(C)C)C","YIAOLYVBBMEBIJ-UHFFFAOYSA-N",380817,NA,"PDBC12073","666539","Present",NA,NA
+"12074","2,2,5,5-Tetramethyl-1-imidazolidinol 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HTIO",NA,"CC1(C=[N+](C(N1O)(C)C)[O-])C","KOMUEOBUFGLNFJ-UHFFFAOYSA-N",378668,NA,"PDBC12074","661465","Present",NA,NA
+"12075","2,2,5,5-Tetramethyl-3-oxido-1H-imidazol-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,5,5-Tetramethyl-3-oxido-1H-imidazol-3-ium",NA,"CC1(C=[N+](C(N1)(C)C)[O-])C","ATMSOHQKXPFPAT-UHFFFAOYSA-N",379393,NA,"PDBC12075","663935","Present",NA,NA
+"12076","2,2,5,5-Tetramethyl-4-phenyl-1-imidazolidinol 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM18796015",NA,"CC1(C(=[N+](C(N1O)(C)C)[O-])C2=CC=CC=C2)C","MLSJXLQAJPYPSI-UHFFFAOYSA-N",378672,NA,"PDBC12076","661469","Present",NA,NA
+"12077","2,2,5-Trimethyl-3-phenyl-1,3-oxaphosphinane 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,5-Trimethyl-3-phenyl-1,3-oxaphosphinane 3-oxide",NA,"CC1COC(P(=O)(C1)C2=CC=CC=C2)(C)C","HTKHJPFJIDGHCJ-UHFFFAOYSA-N",357434,NA,"PDBC12077","616262","Present",NA,NA
+"12078","2,2,6,6-Tetramethyl-4-(phenylethynyl)-1-piperidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,6,6-Tetramethyl-4-(phenylethynyl)-1-piperidinol",NA,"CC1(CC(CC(N1O)(C)C)C#CC2=CC=CC=C2)C","LQOQNTKCACWVLS-UHFFFAOYSA-N",379388,NA,"PDBC12078","663930","Present",NA,NA
+"12079","2,2,6,6-Tetramethyl-4-phenacyl-heptane-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,6,6-Tetramethyl-4-phenacyl-heptane-3,5-dione",NA,"CC(C)(C)C(=O)C(CC(=O)C1=CC=CC=C1)C(=O)C(C)(C)C","UIJYONIGDNWEAR-UHFFFAOYSA-N",389077,NA,"PDBC12079","684727","Present",NA,NA
+"12080","2,2,6,6-Tetramethyl-4-pivaloylheptane-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,2-Dimethylpropanoyl)-2,2,6,6-tetramethylheptane-3,5-dione",NA,"CC(C)(C)C(=O)C(C(=O)C(C)(C)C)C(=O)C(C)(C)C","CWIKLPBOWSPAMT-UHFFFAOYSA-N",389082,NA,"PDBC12080","684732","Present",NA,NA
+"12081","2,2,7,7,12,12,17,17-Octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),8,10,18-tetraene-3,6,13,16-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,7,7,12,12,17,17-OCTAMETHYL-21,22-DIOXATRICYCLO[16.2.1.1(8,11)]DOCOSA-1(20),8,10,18-TETRAENE-3,6,13,16-TETRONE",NA,"CC1(C(=O)CCC(=O)C(C2=CC=C(O2)C(C(=O)CCC(=O)C(C3=CC=C1O3)(C)C)(C)C)(C)C)C","UAUOFHMTNHCGSU-UHFFFAOYSA-N",361837,NA,"PDBC12081","625153","Present",NA,NA
+"12082","2,2,7,7,12,12,17,17-Octamethyl-21,22-dioxatricyclo[16.2.1.1~8,11~]docosa-1(20),4,8,10,14,18-hexaene-3,6,13,16-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z,14Z)-2,2,7,7,12,12,17,17-Octamethyl-21,22-dioxatricyclo[16.2.1.18,11]docosa-1(20),4,8,10,14,18-hexaene-3,6,13,16-tetrone",NA,"CC1(C(=O)C=CC(=O)C(C2=CC=C(O2)C(C(=O)C=CC(=O)C(C3=CC=C1O3)(C)C)(C)C)(C)C)C","JYZBPHTYRCOHCJ-BASFJDSNSA-N",5387610,NA,"PDBC12082","625152","Present",NA,NA
+"12083","2,2,7,7,12,12,17,17-Octamethyl-21-oxabicyclo[16.2.1]henicosa-1(20),4,9,14,18-pentaene-3,6,8,11,13,16-hexone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"21-Oxabicyclo[16.2.1]heneicosane-4,9,14,18,20-pentaene, ...",NA,"CC1(C(=O)C=CC(=O)C(C(=O)C=CC(=O)C(C2=CC=C(O2)C(C(=O)C=CC1=O)(C)C)(C)C)(C)C)C","OAVCWCVIFBSXIA-OXJRGYCCSA-N",5387611,NA,"PDBC12083","625154","Present",NA,NA
+"12084","2,2,8,8-Tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,8,8-Tetramethyl-3,4,6,7-tetrahydropyrano[3,2-g]chromen-5-ol",NA,"CC1(CCC2=C(C3=C(C=C2O1)OC(CC3)(C)C)O)C","VTSPQZOQWQRPGZ-UHFFFAOYSA-N",353205,NA,"PDBC12084","600757","Present",NA,NA
+"12085","2,2,8,8-Tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,8,8-Tetramethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one",NA,"CC1(CCC2=CC3=C(C=C2O1)OC(CC3=O)(C)C)C","ULAUJTKIJCQRNQ-UHFFFAOYSA-N",361271,NA,"PDBC12085","624213","Present",NA,NA
+"12086","2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-1-N,1-N'-di(propan-2-yl)ethene-1,1-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-1-N,1-N'-di(propan-2-yl)ethene-1,1-diamine",NA,"CC(C)NC(=C(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)NC(C)C","ZOIAWJJYYAVIQA-UHFFFAOYSA-N",384397,NA,"PDBC12086","674121","Present",NA,NA
+"12087","2,2-Bis(1H-indol-3-yl)ethylcarbamic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis(1H-indol-3-yl)ethylcarbamic acid tert-butyl ester",NA,"CC(C)(C)OC(=O)NCC(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43","RFAPSNMBPZRKCX-UHFFFAOYSA-N",402818,NA,"PDBC12087","717069","Present",NA,NA
+"12088","2,2-Bis(2,3-dihydro-1H-inden-5-ylmethyl)malonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis(2,3-dihydro-1H-inden-5-ylmethyl)malonic acid",NA,"C1CC2=C(C1)C=C(C=C2)CC(CC3=CC4=C(CCC4)C=C3)(C(=O)O)C(=O)O","CTDGBRNHJQUFAI-UHFFFAOYSA-N",384704,NA,"PDBC12088","674940","Present",NA,NA
+"12089","2,2-Bis(4-(4-amino-3-hydroxyphenoxy)phenyl)adamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis[4-(3-hydroxy-4-aminophenoxy)phenyl]adamantane",NA,"C1C2CC3CC1CC(C2)C3(C4=CC=C(C=C4)OC5=CC(=C(C=C5)N)O)C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O","DPMXTDKQWKXVSU-UHFFFAOYSA-N",397907,NA,"PDBC12089","706832","Present",NA,NA
+"12090","2,2-Bis(5-Oxospiro[1H,4H-1,2,4-triazine-6,9'-fluorene]-3-ylthio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-bis(5-Oxospiro[1H,4H-1,2,4-triazine-6,9'-fluorene]-3-ylthio)acetic acid",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)SC(C(=O)O)SC5=NNC6(C7=CC=CC=C7C8=CC=CC=C86)C(=O)N5","JIUUFYISWANEQK-UHFFFAOYSA-N",135409129,NA,"PDBC12090","658726","Present",NA,NA
+"12091","2,2-Bis(5-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis(5-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester",NA,"CC(C)(C)OC(=O)NCC(C1=CNC2=C1C=C(C=C2)Br)C3=CNC4=C3C=C(C=C4)Br","CBUQBOMWRHXMKY-UHFFFAOYSA-N",398033,NA,"PDBC12091","707106","Present",NA,NA
+"12092","2,2-Bis(5-hydroxy-3-iminoimidazo[2,1-c][1,2,4]triazol-6-yl)-3H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis(5-hydroxy-3-iminoimidazo[2,1-c][1,2,4]triazol-6-yl)-3H-inden-1-one",NA,"C1C2=CC=CC=C2C(=O)C1(C3=C(N4C(=N)N=NC4=N3)O)C5=C(N6C(=N)N=NC6=N5)O","CRBOZMVVDSFMRP-UHFFFAOYSA-N",135441703,NA,"PDBC12092","382936","Present",NA,NA
+"12093","2,2-Bis(6-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis(6-bromo-1H-indol-3-yl)ethylcarbamic acid tert-butyl ester",NA,"CC(C)(C)OC(=O)NCC(C1=CNC2=C1C=CC(=C2)Br)C3=CNC4=C3C=CC(=C4)Br","RYPOXILSLZDDGQ-UHFFFAOYSA-N",401205,NA,"PDBC12093","714409","Present",NA,NA
+"12094","2,2-Bis(but-3-enyl)propanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-(but-3-enyl)malonic acid",NA,"C=CCCC(CCC=C)(C(=O)O)C(=O)O","OSKMJOAZCPSTCT-UHFFFAOYSA-N",373309,NA,"PDBC12094","649455","Present",NA,NA
+"12095","2,2-Bis(diisopropoxyphosphoryl)ethyl-chloro-dimethyl-stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis(diisopropoxyphosphoryl)ethyl-chloro-dimethyl-stannane",NA,"CC(C)OP(=O)(C(C[Sn](C)(C)Cl)P(=O)(OC(C)C)OC(C)C)OC(C)C","ZXNORKXIVGWHMF-UHFFFAOYSA-M",372049,NA,"PDBC12095","646864","Present",NA,NA
+"12096","2,2-Bis(trifluoromethyl)-4-tetrahydrofuranone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-70405",NA,"C1C(=NO)COC1(C(F)(F)F)C(F)(F)F","HTRRXCXXRORWGE-QLKAYGNNSA-N",5870156,NA,"PDBC12096","664958","Present",NA,NA
+"12097","2,2-Bis(trifluoromethyl)tetrachloro-1,3-dioxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIOXOLANE416",NA,"C1(C(OC(O1)(C(F)(F)F)C(F)(F)F)(Cl)Cl)(Cl)Cl","RSNKMTZZWVFGES-UHFFFAOYSA-N",377633,NA,"PDBC12097","659212","Present",NA,NA
+"12098","2,2-Bis-(4-cyanatophenyl)propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK327654",NA,"CC(C)(C1=CC=C(C=C1)OC#N)C2=CC=C(C=C2)OC#N","AHZMUXQJTGRNHT-UHFFFAOYSA-N",70872,NA,"PDBC12098","646242","Present",NA,NA
+"12099","2,2-Bis[4-(4-aminophenoxy)phenyl]adamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-bis[4-(4-aminophenoxy)phenyl]adamantane",NA,"C1C2CC3CC1CC(C2)C3(C4=CC=C(C=C4)OC5=CC=C(C=C5)N)C6=CC=C(C=C6)OC7=CC=C(C=C7)N","OYVBSGFRWFEXHT-UHFFFAOYSA-N",399966,NA,"PDBC12099","711118","Present",NA,NA
+"12100","2,2-Dibenzyl-5,5-dimethyl-1,3-cyclohexanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-205/01784004",NA,"CC1(CC(=O)C(C(=O)C1)(CC2=CC=CC=C2)CC3=CC=CC=C3)C","DVWZHXSDVGYQCA-UHFFFAOYSA-N",380815,NA,"PDBC12100","666536","Present",NA,NA
+"12101","2,2-Dibenzyl-6-methyl-1,3,6,2-dioxazastannocane-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibenzyl-6-methyl-1,3,6,2-dioxazastannocane-4,8-dione",NA,NA,NA,NA,NA,"PDBC12101","628571","Present",NA,NA
+"12102","2,2-Dibromo-1-(2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 2,2-dibromo-1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-",NA,"C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)C(Br)Br)C=C2C1","SWJKAABEPDFUPN-UHFFFAOYSA-N",384711,NA,"PDBC12102","674947","Present",NA,NA
+"12103","2,2-Dibromo-3,4-dihydronaphthalen-1(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1(2H)-Naphthalenone, 2,2-dibromo-3,4-dihydro-",NA,"C1CC(C(=O)C2=CC=CC=C21)(Br)Br","XJUWICWPKZOCJP-UHFFFAOYSA-N",345009,NA,"PDBC12103","402209","Present",NA,NA
+"12104","2,2-Dibromocyclopent-4-ene-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibromocyclopent-4-ene-1,3-dione",NA,"C1=CC(=O)C(C1=O)(Br)Br","KLJUSYWXYFXFLM-UHFFFAOYSA-N",345535,NA,"PDBC12104","403212","Present",NA,NA
+"12105","2,2-Dibutyl-1,3,4,2-benzodioxazastannepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-1,3,4,2-benzodioxazastannepine",NA,"CCCC[Sn]1(OC2=CC=CC=C2C=NO1)CCCC","HYDNNXIUXSPNHY-UHFFFAOYSA-L",16683165,NA,"PDBC12105","633498","Present",NA,NA
+"12106","2,2-Dibutyl-3-(p-tolylsulfonyl)-1,3,2-thiazastannolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,2-Thiazastannolidine, 2,2-dibutyl-3-[(4-methylphenyl...",NA,"CCCC[Sn]1(N(CCS1)S(=O)(=O)C2=CC=C(C=C2)C)CCCC","AYROPZMDMVUBTL-UHFFFAOYSA-M",9562720,NA,"PDBC12106","183359","Present",NA,NA
+"12107","2,2-Dibutyl-4-((2,4,6-trichlorophenoxy)methyl)-1,3,2-dioxastannolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-4-((2,4,6-trichlorophenoxy)methyl)-1,3,2-dioxastannolane",NA,"CCCC[Sn]1(OCC(O1)COC2=C(C=C(C=C2Cl)Cl)Cl)CCCC","JRPGLHOGWXXNRS-UHFFFAOYSA-N",16683182,NA,"PDBC12107","636803","Present",NA,NA
+"12108","2,2-Dibutyl-4-methyl-1,3,2-dioxastannolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-4-methyl-1,3,2-dioxastannolane",NA,"CCCC[Sn]1(OCC(O1)C)CCCC","PSGQJORUIXABPI-UHFFFAOYSA-N",16683570,NA,"PDBC12108","633508","Present",NA,NA
+"12109","2,2-Dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-5,6-diphenyl-6H-1,3,4,2-dioxazastannine",NA,"CCCC[Sn]1(OC(C(=NO1)C2=CC=CC=C2)C3=CC=CC=C3)CCCC","YWAUFBMPZSGXNF-UHFFFAOYSA-M",16683569,NA,"PDBC12109","633500","Present",NA,NA
+"12110","2,2-Dibutyl-5-(2-pyridyl)-1,3,4,2-dioxathiastannolane 4,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-5-(2-pyridyl)-1,3,4,2-dioxathiastannolane 4,4-dioxide",NA,"CCCC[Sn]1(OC(S(=O)(=O)O1)C2=CC=CC=N2)CCCC","IQIDREHHBOIYBU-UHFFFAOYSA-M",16683167,NA,"PDBC12110","633501","Present",NA,NA
+"12111","2,2-Dibutyl-5-propan-2-yl-5H-1,3,6,2-benzodioxazastannonin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-5-propan-2-yl-5H-1,3,6,2-benzodioxazastannonin-4-one",NA,"CCCC[Sn]1(OC2=CC=CC=C2C=NC(C(=O)O1)C(C)C)CCCC","ZGTVWQPMRYBRFR-UHFFFAOYSA-L",16683554,NA,"PDBC12111","630251","Present",NA,NA
+"12112","2,2-Dibutyl-5H-1,3,6,2-benzodioxazastannonin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-5H-1,3,6,2-benzodioxazastannonin-4-one",NA,"CCCC[Sn]1(OC(=O)CN=CC2=CC=CC=C2O1)CCCC","PXOOSSYRHFOALV-UHFFFAOYSA-L",16683555,NA,"PDBC12112","630252","Present",NA,NA
+"12113","2,2-Dibutyl-6,8-diiodo-1,3,2-benzodioxastannin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-6,8-diiodo-1,3,2-benzodioxastannin-4-one",NA,"CCCC[Sn]1(OC2=C(C=C(C=C2I)I)C(=O)O1)CCCC","SEMYGSGDQLBXEG-UHFFFAOYSA-L",16683128,NA,"PDBC12113","628563","Present",NA,NA
+"12114","2,2-Dibutyl-6-methyl-1,3,2-benzodioxastannin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-6-methyl-1,3,2-benzodioxastannin-4-one",NA,"CCCC[Sn]1(OC2=C(C=C(C=C2)C)C(=O)O1)CCCC","VETAQHGIJKJLOZ-UHFFFAOYSA-L",16683171,NA,"PDBC12114","633505","Present",NA,NA
+"12115","2,2-Dibutyl-6-methyl-4H-[1,3,2]dioxastannino[5,4-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-6-methyl-4H-[1,3,2]dioxastannino[5,4-b]pyridine",NA,"CCCC[Sn]1(OCC2=C(O1)C=CC(=N2)C)CCCC","PKONRJBNSRZWNS-UHFFFAOYSA-M",16683164,NA,"PDBC12115","633497","Present",NA,NA
+"12116","2,2-Dibutyl-7-methyl-1,3,2-benzodioxastannin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-7-methyl-1,3,2-benzodioxastannin-4-one",NA,"CCCC[Sn]1(OC2=C(C=CC(=C2)C)C(=O)O1)CCCC","UFQHVVQJRXWVSU-UHFFFAOYSA-L",16683125,NA,"PDBC12116","628560","Present",NA,NA
+"12117","2,2-Dibutyl-7-methyl-5H-1,3,6,2-benzodioxazastannonin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-7-methyl-5H-1,3,6,2-benzodioxazastannonin-4-one",NA,"CCCC[Sn]1(OC(=O)CN=C(C2=CC=CC=C2O1)C)CCCC","ACBFDHMLROJCJI-UHFFFAOYSA-L",16683556,NA,"PDBC12117","630253","Present",NA,NA
+"12118","2,2-Dibutyl-8-methoxy-1,3,2-benzodioxastannin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-8-methoxy-1,3,2-benzodioxastannin-4-one",NA,"CCCC[Sn]1(OC2=C(C=CC=C2OC)C(=O)O1)CCCC","XCMZNKMJIGQMJI-UHFFFAOYSA-L",16683129,NA,"PDBC12118","628564","Present",NA,NA
+"12119","2,2-Dibutyl-8-methyl-1,3,2-benzodioxastannin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-8-methyl-1,3,2-benzodioxastannin-4-one",NA,"CCCC[Sn]1(OC2=C(C=CC=C2C(=O)O1)C)CCCC","UEGGYQQFNKOFFC-UHFFFAOYSA-L",16683124,NA,"PDBC12119","628559","Present",NA,NA
+"12120","2,2-Dibutyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one",NA,"CCCC[Sn]1(OC2=C(C=CC=N2)C(=O)O1)CCCC","FQVZYUVDLURQDA-UHFFFAOYSA-L",16683162,NA,"PDBC12120","633495","Present",NA,NA
+"12121","2,2-Dibutyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dibutyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one",NA,"CCCC[Sn]1(OC(=O)C2=C(S1)N=CC=C2)CCCC","FVTUEYBZUJNBQU-UHFFFAOYSA-L",16683168,NA,"PDBC12121","633502","Present",NA,NA
+"12122","2,2-Dichloro-1-methylbicyclo[2.2.1]heptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dichloro-1-methylbicyclo[2.2.1]heptane",NA,"CC12CCC(C1)CC2(Cl)Cl","KEBQSKUALBYPQJ-UHFFFAOYSA-N",382541,NA,"PDBC12122","670150","Present",NA,NA
+"12123","2,2-Dichloro-2-(diethylphosphoryl)-N-methylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dichloro-2-(diethylphosphoryl)-N-methylacetamide",NA,"CCP(=O)(CC)C(C(=O)NC)(Cl)Cl","SLTNYHMFQSVAFW-UHFFFAOYSA-N",383112,NA,"PDBC12123","671156","Present",NA,NA
+"12124","2,2-Dichloro-3-hexylcyclobutanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dichloro-3-hexylcyclobutanone",NA,"CCCCCCC1CC(=O)C1(Cl)Cl","REPMSXFRZYPQTI-UHFFFAOYSA-N",380807,NA,"PDBC12124","666526","Present",NA,NA
+"12125","2,2-Dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-dichloro-~{N}-(2,2-dichloroacetyl)-~{N}-[2,6-dimetho...",NA,"CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)N(C(=O)C(Cl)Cl)C(=O)C(Cl)Cl)OC","DASCYEOOVZMXDS-UHFFFAOYSA-N",155815172,NA,"PDBC12125","797557","Present",NA,NA
+"12126","2,2-Dichloro-N-[6-[(2,2-dichloroacetyl)amino]-7-methoxy-9H-fluoren-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dichloro-N-[6-[(2,2-dichloroacetyl)amino]-7-methoxy-9H-fluoren-2-yl]acetamide",NA,"COC1=C(C=C2C(=C1)CC3=C2C=CC(=C3)NC(=O)C(Cl)Cl)NC(=O)C(Cl)Cl","KZWCRASEVNKSPS-UHFFFAOYSA-N",276258,NA,"PDBC12126","123829","Present",NA,NA
+"12127","2,2-Dichlorocyclopropyl 4-methylphenyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dichlorocyclopropyl 4-methylphenyl sulfone",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2CC2(Cl)Cl","XGMYQAUNQSQQER-UHFFFAOYSA-N",361162,NA,"PDBC12127","623993","Present",NA,NA
+"12128","2,2-Dicyanoethenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dicyanovinylthiourea",NA,"C(=C(C#N)C#N)NC(=S)N","QPHHZCXEHPQYCJ-UHFFFAOYSA-N",3004581,NA,"PDBC12128","658498","Present",NA,NA
+"12129","2,2-Diethyl-6-(hydroxymethyl)-4,6,7,7a-tetrahydro-3aH-[1,3,2]dioxastannolo[4,5-c]pyran-4,7-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-D-Glucopyranose, 2,3-O-(diethylstannylene)-",NA,"CC[Sn]1(OC2C(C(OC(C2O1)O)CO)O)CC","PKGOFPIELJQXTG-UHFFFAOYSA-N",16683462,NA,"PDBC12129","306911","Present",NA,NA
+"12130","2,2-Difluoro-1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Difluoro-1-(4-fluorophenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanol",NA,"C1=CC=C(C=C1)C2=NOC(=N2)C(C(C3=CC=C(C=C3)F)O)(F)F","URAMRIDZFBSLEW-UHFFFAOYSA-N",399835,NA,"PDBC12130","710971","Present",NA,NA
+"12131","2,2-Diiodo-5-nitro-1,3,2-benzodioxastannole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Diiodo-5-nitro-1,3,2-benzodioxastannole",NA,"C1=CC2=C(C=C1[N+](=O)[O-])O[Sn](O2)(I)I","IDACIYXDBORBPF-UHFFFAOYSA-J",16683572,NA,"PDBC12131","634376","Present",NA,NA
+"12132","2,2-Dimethoxy-5-methyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethoxy-5-methyl-7-phenyl-6,8-dioxabicyclo[3.2.1]octane",NA,"CC12CCC(C(O1)C(O2)C3=CC=CC=C3)(OC)OC","IWPNHSXUSSCPPK-UHFFFAOYSA-N",361141,NA,"PDBC12132","623973","Present",NA,NA
+"12133","2,2-Dimethyl-1,3,6,6-tetraphenyl-7-oxa-2-silabicyclo[3.2.0]hept-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-1,3,6,6-tetraphenyl-7-oxa-2-silabicyclo[3.2.0]hept-3-ene",NA,"C[Si]1(C(=CC2C1(OC2(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C","CMDYZCRNWVKAHM-UHFFFAOYSA-N",373380,NA,"PDBC12133","649607","Present",NA,NA
+"12134","2,2-Dimethyl-1,3-benzodioxol-4-yl 2,4-bis(methoxymethoxy)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-1,3-benzodioxol-4-yl 2,4-bis(methoxymethoxy)benzoate",NA,"CC1(OC2=C(O1)C(=CC=C2)OC(=O)C3=C(C=C(C=C3)OCOC)OCOC)C","WRSDQBKUZWQEGS-UHFFFAOYSA-N",395507,NA,"PDBC12134","700149","Present",NA,NA
+"12135","2,2-Dimethyl-1,3-dioxole-4,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-1,3-dioxole-4,5-dicarboxamide",NA,"CC1(OC(=C(O1)C(=O)N)C(=O)N)C","NAEUNPIFXPXWTR-UHFFFAOYSA-N",357619,NA,"PDBC12135","617143","Present",NA,NA
+"12136","2,2-Dimethyl-1,3-propanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neopentyldiamine",NA,"CC(C)(CN)CN","DDHUNHGZUHZNKB-UHFFFAOYSA-N",81770,NA,"PDBC12136","17719","Present",NA,NA
+"12137","2,2-Dimethyl-1,6,16,20-tetrazatetracyclo[17.2.1.05,13.07,12]docosa-5(13),7,9,11,19(22),20-hexaene-4,15-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-1,6,16,20-tetrazatetracyclo[17.2.1.05,13.07,12]docosa-5(13),7,9,11,19(22),20-hexaene-4,15-dione",NA,"CC1(CC(=O)C2=C(CC(=O)NCCC3=CN1C=N3)C4=CC=CC=C4N2)C","XEFQBZIYRWKUKV-UHFFFAOYSA-N",398077,NA,"PDBC12137","707442","Present",NA,NA
+"12138","2,2-Dimethyl-1-[3-(p-tolyl)-1-(p-tolylsulfonyl)aziridin-2-yl]propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-1-[3-(p-tolyl)-1-(p-tolylsulfonyl)aziridin-2-yl]propan-1-one",NA,"CC1=CC=C(C=C1)C2C(N2S(=O)(=O)C3=CC=C(C=C3)C)C(=O)C(C)(C)C","KWYXQHAUBJOQFR-UHFFFAOYSA-N",389292,NA,"PDBC12138","685111","Present",NA,NA
+"12139","2,2-Dimethyl-1-oxido-4,5-diphenyl-3-tetrahydropyran-2-yloxy-4h-imidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-1-oxido-4,5-diphenyl-3-tetrahydropyran-2-yloxy-4h-imidazol-1-ium",NA,"CC1(N(C(C(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)OC4CCCCO4)C","GAMOJAJDLUVODK-UHFFFAOYSA-N",390088,NA,"PDBC12139","687031","Present",NA,NA
+"12140","2,2-Dimethyl-10-[(4-methylphenyl)diazenyl]-3,4-dihydrobenzo[g]chromen-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-10-[(4-methylphenyl)diazenyl]-3,4-dihydrobenzo[g]chromen-5-ol",NA,"CC1=CC=C(C=C1)N=NC2=C3C(=C(C4=CC=CC=C42)O)CCC(O3)(C)C","MPGRAOPZJVAKRQ-UHFFFAOYSA-N",402607,NA,"PDBC12140","716763","Present",NA,NA
+"12141","2,2-Dimethyl-10-phenyldiazenyl-3,4-dihydrobenzo[g]chromen-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-10-phenyldiazenyl-3,4-dihydrobenzo[g]chromen-5-ol",NA,"CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=CC=C4)O)C","DLVWEPJOZMKUAT-UHFFFAOYSA-N",401077,NA,"PDBC12141","713843","Present",NA,NA
+"12142","2,2-Dimethyl-2,7-dihydro-1H-purine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-2,7-dihydro-1H-purine-6-carboxamide",NA,"CC1(NC2=C(C(=N1)C(=O)N)NC=N2)C","ZNDOPFMMQQGEAN-UHFFFAOYSA-N",135409222,NA,"PDBC12142","670254","Present",NA,NA
+"12143","2,2-Dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-3,4,7,8-tetrahydro-2H,6H-pyrano[3,2-g]chromen-6-one",NA,"CC1(CCC2=CC3=C(C=C2O1)OCCC3=O)C","YHTXRJPPNNSHHS-UHFFFAOYSA-N",362035,NA,"PDBC12143","625534","Present",NA,NA
+"12144","2,2-Dimethyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-3-(2,6,10-trimethyl-1,5,9-undecatrienyl)cyclopentanone",NA,"CC(=CCCC(=CCCC(=CC1CCC(=O)C1(C)C)C)C)C","KVSORZUJEYCZRK-OVHYJKADSA-N",5466979,NA,"PDBC12144","646185","Present",NA,NA
+"12145","2,2-Dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]thiirane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-3-[(3E,7E,11E,15E)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]thiirane",NA,"CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC1C(S1)(C)C)C)C)C","PDOASHNSOVFHGI-BANQPHDMSA-N",5467353,NA,"PDBC12145","651005","Present",NA,NA
+"12146","2,2-Dimethyl-3-phenyl-2H-1,4-benzoxazine 4-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-3-phenyl-2H-1,4-benzoxazine 4-oxide",NA,"CC1(C(=[N+](C2=CC=CC=C2O1)[O-])C3=CC=CC=C3)C","XGKKIYMSNBLCME-UHFFFAOYSA-N",367134,NA,"PDBC12146","636521","Present",NA,NA
+"12147","2,2-Dimethyl-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane",NA,"CC1(CC2(C(CN1O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C","WNKIKVQPEYSMBN-UHFFFAOYSA-N",361142,NA,"PDBC12147","623974","Present",NA,NA
+"12148","2,2-Dimethyl-4,7-dihydro-1,3-dioxepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A1-02673",NA,"CC1(OCC=CCO1)C","ATZGUXPLGMKHOR-UHFFFAOYSA-N",392707,NA,"PDBC12148","693424","Present",NA,NA
+"12149","2,2-Dimethyl-4-[(2,4,5-trichlorophenoxy)methyl]-1,3,2-dioxastannolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-4-[(2,4,5-trichlorophenoxy)methyl]-1,3,2-dioxastannolane",NA,"C[Sn]1(OCC(O1)COC2=CC(=C(C=C2Cl)Cl)Cl)C","XXRGSMBVCVICLR-UHFFFAOYSA-N",16683183,NA,"PDBC12149","636808","Present",NA,NA
+"12150","2,2-Dimethyl-5-((2,4,5-trimethoxy-3-methylanilino)methylene)-1,3-dioxane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-5-((2,4,5-trimethoxy-3-methylanilino)methylene)-1,3-dioxane-4,6-dione",NA,"CC1=C(C(=CC(=C1OC)OC)NC=C2C(=O)OC(OC2=O)(C)C)OC","XEJYFBSURMXZJO-UHFFFAOYSA-N",389065,NA,"PDBC12150","684704","Present",NA,NA
+"12151","2,2-Dimethyl-5-((methylamino)(methylthio)methylene)-1,3-dioxane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-5-((methylamino)(methylthio)methylene)-1,3-dioxane-4,6-dione",NA,"CC1(OC(=O)C(=C(NC)SC)C(=O)O1)C","DQRSPADAUYRQAI-UHFFFAOYSA-N",370575,NA,"PDBC12151","643820","Present",NA,NA
+"12152","2,2-Dimethyl-5-(3-phenyl-2,3-dihydro-1H-inden-1-ylidene)-1,3-dioxane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-5-(3-phenyl-2,3-dihydro-1H-inden-1-ylidene)-1,3-dioxane-4,6-dione",NA,"CC1(OC(=O)C(=C2CC(C3=CC=CC=C23)C4=CC=CC=C4)C(=O)O1)C","XVEWMARHNVYCTF-UHFFFAOYSA-N",362474,NA,"PDBC12152","626425","Present",NA,NA
+"12153","2,2-Dimethyl-5-(phenylthio)tetrahydrofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-5-(phenylthio)tetrahydrofuran",NA,"CC1(CCC(O1)SC2=CC=CC=C2)C","IHEUXZPCYQKELP-UHFFFAOYSA-N",361780,NA,"PDBC12153","625047","Present",NA,NA
+"12154","2,2-Dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]-1,3-dioxane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(5-nitro-2-thieny...",NA,"CC1(OC(=O)C(=CC2=CC=C(S2)[N+](=O)[O-])C(=O)O1)C","CISOKWVGMLHGBN-UHFFFAOYSA-N",326210,NA,"PDBC12154","297093","Present",NA,NA
+"12155","2,2-Dimethyl-5-chlorospiro[benzofuran-3(2H),1'-cyclopropane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-2,2-dimethylspiro[1-benzofuran-3,1'-cyclopropane]",NA,"CC1(C2(CC2)C3=C(O1)C=CC(=C3)Cl)C","LSLMRJKLWHQQKV-UHFFFAOYSA-N",400113,NA,"PDBC12155","711603","Present",NA,NA
+"12156","2,2-Dimethyl-5-propan-2-yl-1,3-dihydrophenothiazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Isopropyl-2,2-dimethyl-1,3-dihydrophenothiazin-5-ium-4-olate",NA,"CC(C)S1=C2C(=NC3=CC=CC=C31)CC(CC2=O)(C)C","NNRRMZMANYTSOP-UHFFFAOYSA-N",390750,NA,"PDBC12156","688508","Present",NA,NA
+"12157","2,2-Dimethyl-6-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-5-O-Benzyl-2,3-O-isopropylidene-D-ribono- 1,4-lactone",NA,"CC1(OC2C(OC(=O)C2O1)COCC3=CC=CC=C3)C","HTBWOOVHGLNZBX-UHFFFAOYSA-N",355375,NA,"PDBC12157","639628","Present",NA,NA
+"12158","2,2-Dimethyl-6-oxo-1,3-dioxin-4-olate;titanium(4+);4-(3,5,7-trihydroxy-4-oxochromen-2-yl)benzene-1,3-diolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2,2-dimethyl-1,3-dioxane-4,6-dionato)[flavone- 3,5,7...",NA,"CC1(OC(=CC(=O)O1)[O-])C.CC1(OC(=CC(=O)O1)[O-])C.C1=CC(=C(C=C1[O-])[O-])C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.[Ti+4]","DXOMLCFJVCPPKK-UHFFFAOYSA-J",5388822,NA,"PDBC12158","638846","Present",NA,NA
+"12159","2,2-Dimethyl-6-oxo-1H-furo[2,3-c]xanthene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-6-oxo-1H-furo[2,3-c]xanthene-1-carboxylic acid",NA,"CC1(C(C2=C(O1)C=CC3=C2OC4=CC=CC=C4C3=O)C(=O)O)C","HQYDQOMEZQRCOO-UHFFFAOYSA-N",388149,NA,"PDBC12159","682713","Present",NA,NA
+"12160","2,2-Dimethyl-6-triisopropylsilanyloxymethyl-[1,3]dioxane-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-6-triisopropylsilanyloxymethyl-[1,3]dioxane-4-carbonitrile",NA,"CC(C)[Si](C(C)C)(C(C)C)OCC1CC(OC(O1)(C)C)C#N","ILCHUJVTDAOPLH-UHFFFAOYSA-N",374069,NA,"PDBC12160","651328","Present",NA,NA
+"12161","2,2-Dimethyl-8-[4-oxo-4-(2-thienyl)butyl]-4-phenyl-4,8-diaza-2-azoniaspiro[4.5]decan-1-one; fumaric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-8-(4-oxo-4-thiophen-2-ylbutyl)-1-phenyl-1,8-diaza-3-azoniaspiro[4.5]decan-4-one;(E)-4-hydroxy-4-oxobut-2-enoate",NA,"C[N+]1(CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3)C4=CC=CC=C4)C.C(=CC(=O)[O-])C(=O)O","AFAYOBGZHBMWCH-WLHGVMLRSA-M",5468185,NA,"PDBC12161","665890","Present",NA,NA
+"12162","2,2-Dimethyl-9-((1-methylethylidene)amino)-2,9-dihydro-1H-purine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-9-((1-methylethylidene)amino)-2,9-dihydro-1H-purine-6-carboxamide",NA,"CC(=NN1C=NC2=C1NC(N=C2C(=O)N)(C)C)C","CRVDNEPUOIYAAR-UHFFFAOYSA-N",135409139,NA,"PDBC12162","659337","Present",NA,NA
+"12163","2,2-Dimethyl-9-phenyl-2,9-dihydro-1H-purine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-9-phenyl-2,9-dihydro-1H-purine-6-carboxamide",NA,"CC1(NC2=C(C(=N1)C(=O)N)N=CN2C3=CC=CC=C3)C","GAWKNXRQFOYIMG-UHFFFAOYSA-N",135399247,NA,"PDBC12163","670259","Present",NA,NA
+"12164","2,2-Dimethyl-N-(2-phenyl-1-benzofuran-4-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-N-(2-phenyl-1-benzofuran-4-yl)propanamide",NA,"CC(C)(C)C(=O)NC1=C2C=C(OC2=CC=C1)C3=CC=CC=C3","AVZMTTBKBZKIJM-UHFFFAOYSA-N",360067,NA,"PDBC12164","621865","Present",NA,NA
+"12165","2,2-Dimethyl-N-[6-(1H-pyrrol-2-yl)pyridin-2-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-N-[6-(1H-pyrrol-2-yl)pyridin-2-yl]propanamide",NA,"CC(C)(C)C(=O)NC1=CC=CC(=N1)C2=CC=CN2","MJNDSVXRYGAGMG-UHFFFAOYSA-N",395737,NA,"PDBC12165","700537","Present",NA,NA
+"12166","2,2-Dimethylhexahydrofuro[3,4-f][1,3]benzodioxol-5(3aH)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethylhexahydrofuro[3,4-f][1,3]benzodioxol-5(3aH)-one",NA,"CC1(OC2CC3COC(=O)C3CC2O1)C","VVNCWBKXDNMJJQ-UHFFFAOYSA-N",369600,NA,"PDBC12166","641481","Present",NA,NA
+"12167","2,2-Dimethylpropyl (1Z)-N-(3,4-dichlorophenyl)sulfonylethanimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethylpropyl (1Z)-N-(3,4-dichlorophenyl)sulfonylethanimidate",NA,"CC(=NS(=O)(=O)C1=CC(=C(C=C1)Cl)Cl)OCC(C)(C)C","OOLNYEXPYZZVTP-SXGWCWSVSA-N",6040132,NA,"PDBC12167","116933","Present",NA,NA
+"12168","2,2-Dimethylpropyl 2-[(5Z)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Neopentyl 2-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-...",NA,"CC1=C(C(=NC1=CC2=C(C=C(N2)C3=CC=CN3)OC)C)CC(=O)OCC(C)(C)C","AHVIZCSRZSGHRH-WQRHYEAKSA-N",155807647,NA,"PDBC12168","787810","Present",NA,NA
+"12169","2,2-Dimethylpropyl-dimethyl-phenylphosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethylpropyl-dimethyl-phenylphosphanium;bromide",NA,"CC(C)(C)C[P+](C)(C)C1=CC=CC=C1.[Br-]","QLCMLBPJBWLQQU-UHFFFAOYSA-M",357597,NA,"PDBC12169","617070","Present",NA,NA
+"12170","2,2-Dimethylspiro[1,3-dioxolane-5,7'-bicyclo[4.2.0]octane]-4,8'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethylspiro[1,3-dioxolane-5,8'-bicyclo[4.2.0]octane]-4,7'-dione",NA,"CC1(OC(=O)C2(O1)C3CCCCC3C2=O)C","RBCMPIKMYFAJCK-UHFFFAOYSA-N",388760,NA,"PDBC12170","683838","Present",NA,NA
+"12171","2,2-Dioctyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dioctyl-[1,3,2]dioxastannino[4,5-b]pyridin-4-one",NA,"CCCCCCCC[Sn]1(OC2=C(C=CC=N2)C(=O)O1)CCCCCCCC","AITYHXKECSDIBE-UHFFFAOYSA-L",16683163,NA,"PDBC12171","633496","Present",NA,NA
+"12172","2,2-Dioctyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dioctyl-[1,3,2]oxathiastannino[4,5-b]pyridin-4-one",NA,"CCCCCCCC[Sn]1(OC(=O)C2=C(S1)N=CC=C2)CCCCCCCC","VCDURKJFKAVGPI-UHFFFAOYSA-L",16683169,NA,"PDBC12172","633503","Present",NA,NA
+"12173","2,2-Dioxo-6,7-diphenyl-1H-pyrazino[2,3-c][1,2,6]thiadiazin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6,7-diphenyl-1H-pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxide",NA,"C1=CC=C(C=C1)C2=C(N=C3C(=N2)C(=NS(=O)(=O)N3)N)C4=CC=CC=C4","JQJYHNXKWPLTOY-UHFFFAOYSA-N",135408966,NA,"PDBC12173","650970","Present",NA,NA
+"12174","2,2-Diphenyl-1-(2-thioxo-1-pyrrolidinyl)vinyl diphenylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Diphenyl-1-(2-thioxo-1-pyrrolidinyl)vinyl diphenylacetate",NA,"C1CC(=S)N(C1)C(=C(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C(C4=CC=CC=C4)C5=CC=CC=C5","PYOUSZOHFSNZPE-UHFFFAOYSA-N",379161,NA,"PDBC12174","663574","Present",NA,NA
+"12175","2,2-Diphenyl-1-oxa-3-aza-2-boranuidacyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Diphenyl-1-oxa-3-aza-2-boranuidacyclohexane",NA,NA,NA,NA,NA,"PDBC12175","667867","Present",NA,NA
+"12176","2,2-Diphenyl-4-(1-piperidinyl)pentanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-DIPHENYL-4-PIPERIDINOVALERONITRILE",NA,"CC(CC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2)N3CCCCC3","ILJNEWQDWFOAGR-UHFFFAOYSA-N",95000,NA,"PDBC12176","13176","Present",NA,NA
+"12177","2,2-Diphenyl-4-(sulfanylmethyl)-1-oxa-3-aza-2-boranuidacyclopentan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Diphenyl-4-(sulfanylmethyl)-1-oxa-3-aza-2-boranuidacyclopentan-5-one",NA,NA,NA,NA,NA,"PDBC12177","641294","Present",NA,NA
+"12178","2,2-Syn-2-[2',3'-dihydroxypropylmercapto] brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-2-[2',3'-dihydroxypropylmercapto] br...",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCC(CO)O)O)O","OGJVIHGFTHNAGM-CQGJOIFTSA-N",24202568,NA,"PDBC12178","690978","Present",NA,NA
+"12179","2,2-Syn-2-[2'-aminopropylsulfenyl]-brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-2-[2'-aminopropylsulfenyl]-brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)CCN)O)O","IRCDUPSHISIJOZ-FINUKYLLSA-N",24202571,NA,"PDBC12179","692306","Present",NA,NA
+"12180","2,2-Syn-2-[4'-methoxyphenylsulfenyl] Brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-2-[4'-methoxyphenylsulfenyl] Brefeld...",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)C3=CC=C(C=C3)OC)O)O","LNLIDCISFIYWLB-HENMLQJWSA-N",10550891,NA,"PDBC12180","690980","Present",NA,NA
+"12181","2,2-Syn-2-[N,N-dimethylaminoethylsulfenyl]-brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-2-[N,N-dimethylaminoethylsulfenyl]-b...",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)CCN(C)C)O)O","GXQNJTBOERVAFD-XEGASWIMSA-N",24202582,NA,"PDBC12181","695859","Present",NA,NA
+"12182","2,2-Syn-2-[S-(L)-cysteinylsulfoxide-]-brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-2-[S-(L)-cysteinylsulfoxide-]-brefel...",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)CC(C(=O)O)N)O)O","GWXPRYCNCLTKGI-ABZSLSCJSA-N",24202584,NA,"PDBC12182","696257","Present",NA,NA
+"12183","2,2-Syn-2-[beta-D-glucosyl-1-thio-]-brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-2-[.beta.-D-glucosyl-1-thio-]- brefe...",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SC3C(C(C(C(O3)CO)O)O)O)O)O","NOIDTPUWOQPNJU-BELUJVFYSA-N",24202570,NA,"PDBC12183","692305","Present",NA,NA
+"12184","2,2-Syn-2-[carboethoxymethylsulfenyl brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-2-[carboethoxymethylsulfenyl brefeld...",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)CCC(=O)OC)O)O","MZPUGCRJYDTIDG-SXTPMCHXSA-N",10788062,NA,"PDBC12184","690977","Present",NA,NA
+"12185","2,2-Syn-2-[carbomethoxymethylsulphonyl]-10,11-epoxy-brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-2-[carbomethoxymethylsulphonyl]-10,1...",NA,"CC1CCCC2C(O2)C3CC(CC3C(C(CC(=O)O1)S(=O)(=O)CC(=O)OC)O)O","XYODRWJTLUUCLC-GTFMIFQYSA-N",24202576,NA,"PDBC12185","694612","Present",NA,NA
+"12186","2,2-Syn-2-[glutathionyl]-brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-2-[glutathionyl]-brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)O","MNEIUGQXXNPVSB-HHLWSMLDSA-N",24202577,NA,"PDBC12186","694613","Present",NA,NA
+"12187","2,2-Syn-3-[4'-chlorophenylseleno]brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-3-[4'-chlorophenylseleno]brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)[Se]C3=CC=C(C=C3)Cl)O)O","UENUIIRHVWNSPH-BAJBADSPSA-N",10906804,NA,"PDBC12187","701557","Present",NA,NA
+"12188","2,2-Syn-3-[benzylseleno]brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-3-[benzylseleno]brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)[Se]CC3=CC=CC=C3)O)O","ZGBSHMOYPHIUMT-LHHYAPNZSA-N",10874069,NA,"PDBC12188","701556","Present",NA,NA
+"12189","2,2-Syn-3-[methylseleno]brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-3-[methylseleno]brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)[Se]C)O)O","CCNATFPAWRYEPF-OFOOJMDESA-N",10970813,NA,"PDBC12189","701755","Present",NA,NA
+"12190","2,2-Syn-3-[phenylseleno]brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1,2-syn-3-[phenylseleno]brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)[Se]C3=CC=CC=C3)O)O","LPADNYFBEMZNNM-LJJFVIJXSA-N",10982991,NA,"PDBC12190","701555","Present",NA,NA
+"12191","2,2-c]Chro men-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-dihydro-2-oxo-3-(2-oxo-2H-chromen-3-yl)pyrano[3,2-c]...",NA,"CC(=O)OC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)C4=CC5=CC=CC=C5OC4=O","KCHMUOLGIBCTNB-UHFFFAOYSA-N",24205748,NA,"PDBC12191","736562","Present",NA,NA
+"12192","2,26-Diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4,6,8,16(25),19,21,23-nonaene-14-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dinaphtho[1,2-b:2',1'-g][1,8]naphthyridine- 7a-carbonitr...",NA,"C1CC2=CC=CC=C2C3=C1CC4(CC5=C(C6=CC=CC=C6CC5)N=C4N3)C#N","VYBVHILOYLOLAF-UHFFFAOYSA-N",384656,NA,"PDBC12192","674701","Present",NA,NA
+"12193","2,3',3''-SEtNMe2-4,6-diPh-Pyr",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3',3''-SEtNMe2-4,6-diPh-Pyr",NA,"CN(C)CCSC1=CC=CC(=C1)C2=CC(=NC(=N2)SCCN(C)C)C3=CC(=CC=C3)SCCN(C)C","SBSYEFHUQYUCED-UHFFFAOYSA-N",358880,NA,"PDBC12193","619007","Present",NA,NA
+"12194","2,3'-Bi-1H-indole, 2,3-dihydro-1-(1-oxo-3-phenyl-2-propynyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(1H-Indol-3-yl)indolin-1-yl]-3-phenyl-prop-2-yn-1-one",NA,"C1C(N(C2=CC=CC=C21)C(=O)C#CC3=CC=CC=C3)C4=CNC5=CC=CC=C54","SUDNTGVJVMSIQD-UHFFFAOYSA-N",365631,NA,"PDBC12194","633485","Present",NA,NA
+"12195","2,3':2',3''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27121897",NA,"C1=CSC(=C1)C2=C(SC=C2)C3=CSC=C3","VCVOIRBUZJKYOX-UHFFFAOYSA-N",395540,NA,"PDBC12195","700231","Present",NA,NA
+"12196","2,3':4',2''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3:4,2-TErthiophene",NA,"C1=CSC(=C1)C2=CSC=C2C3=CC=CS3","XMTNPHVYRJHQFV-UHFFFAOYSA-N",395534,NA,"PDBC12196","700225","Present",NA,NA
+"12197","2,3':4',3''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3':4',3''-Terthiophene",NA,"C1=CSC(=C1)C2=CSC=C2C3=CSC=C3","YEAITYULKZJLIY-UHFFFAOYSA-N",395536,NA,"PDBC12197","700227","Present",NA,NA
+"12198","2,3':4,6:4',6'-Tetra-O-cyclohexlidene-alpha,alpha'-trehalose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3:2',3':4,6:4',6'-Tetra-O-cyclohexlidene-.alpha.,.alph...",NA,"C1CCC2(CC1)OCC3C(O2)C4C(C(O3)OC5C6C(C7C(O5)COC8(O7)CCCCC8)OC9(O6)CCCCC9)OC1(O4)CCCCC1","FSTFTLLOOMGTTP-HNGBAHPMSA-N",387508,NA,"PDBC12198","681318","Present",NA,NA
+"12199","2,3':5',3''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Thienyl)-2-(3-thienyl)thiophene",NA,"C1=CSC(=C1)C2=CSC(=C2)C3=CSC=C3","LMHFDOLDSKSUOD-UHFFFAOYSA-N",395537,NA,"PDBC12199","700228","Present",NA,NA
+"12200","2,3,10,11-Tetramethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8H-Dibenzo[a,g]quinolizine-8-one, 5,6-dihydro- 2,3,10,11...",NA,"COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C4C3=O)OC)OC)OC","RNYYLJRCLSSAOZ-UHFFFAOYSA-N",392605,NA,"PDBC12200","693145","Present",NA,NA
+"12201","2,3,10,11-Tetramethoxy-8-methyl-8H-isoquino[3,2-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,10,11-Tetramethoxy-8-methyl-8H-isoquino[3,2-a]isoquinoline",NA,"CC1C2=CC(=C(C=C2C=C3N1C=CC4=CC(=C(C=C43)OC)OC)OC)OC","HXRVLYCRGOAIRA-UHFFFAOYSA-N",375620,NA,"PDBC12201","655443","Present",NA,NA
+"12202","2,3,10,11-Tetramethoxy-8-methyl-isoquinolino[2,1-b]isoquinolin-7-ium-13-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,10,11-Tetramethoxy-8-methylisoquino[3,2-a]isoquinolinium-13-olate",NA,"CC1=[N+]2C=CC3=CC(=C(C=C3C2=C(C4=CC(=C(C=C14)OC)OC)[O-])OC)OC","KHZNSMOSJYLIKG-UHFFFAOYSA-N",375621,NA,"PDBC12202","655444","Present",NA,NA
+"12203","2,3,10-Trimethoxy-5,8,15,15a-tetrahydro-6H-benzo[h]isoquino[2,1-b]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,10-Trimethoxy-5,8,15,15a-tetrahydro-6H-benzo[h]isoquino[2,1-b]isoquinoline",NA,"COC1=CC2=C(C=CC3=C2CN4CCC5=CC(=C(C=C5C4C3)OC)OC)C=C1","MUSWLDXMCFTNFG-UHFFFAOYSA-N",362990,NA,"PDBC12203","627518","Present",NA,NA
+"12204","2,3,11,12-Tetramethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,11,12-Tetramethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine",NA,"COC1=C(C=C2C3CC4=CC(=C(C=C4CN3CCCC2=C1)OC)OC)OC","TVBRYPWZLXTVSF-UHFFFAOYSA-N",384194,NA,"PDBC12204","673600","Present",NA,NA
+"12205","2,3,11,12-Tetramethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,11,12-Tetramethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine",NA,"COC1=C(C=C2CC3C4=CC(=C(C=C4CCN3CCC2=C1)OC)OC)OC","FDWCQJQXTYABFS-UHFFFAOYSA-N",390003,NA,"PDBC12205","686926","Present",NA,NA
+"12206","2,3,11-Trimethoxy-5,7,8,13,13a,14-hexahydroisoquinolino[3,2-b][3]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,11-Trimethoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine",NA,"COC1=CC2=C(CCN3CC4=CC(=C(C=C4CC3C2)OC)OC)C=C1","RNDCRGJOPCLHPU-UHFFFAOYSA-N",393747,NA,"PDBC12206","696361","Present",NA,NA
+"12207","2,3,11-Trimethyl-8,9-dihydro-7H-pyrazino[2,3-a]carbazole-5,6,10-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,11-Trimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione",NA,"CC1=C(N=C2C(=N1)C3=C(C4=C(N3C)C(=O)CCC4)C(=O)C2=O)C","NALCLAKZYQIDMJ-UHFFFAOYSA-N",404059,NA,"PDBC12207","720177","Present",NA,NA
+"12208","2,3,12-Trimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,12-Trimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine",NA,"COC1=CC2=C(C=C1)C3C4=CC(=C(C=C4CCN3CCC2)OC)OC","XCUJHGZDLPCNTA-UHFFFAOYSA-N",380329,NA,"PDBC12208","665820","Present",NA,NA
+"12209","2,3,3Aalpha,3b,4,4a,5,6,7,7abeta,8,8a,9,9aalpha-Tetradecahydro-4beta,5alpha,8beta-triacetoxy-8abeta-(acetoxymethyl)-7alpha-(benzoyloxy)-4aalpha-hydroxy-2,2,3bbeta,6alpha-tetramethyl-1H-cyclopenta[a]-s-indacene-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2R,3R,4S,5R,6R,7S,8R,9S,10R,14R)-2,6,8-Triacetyloxy-1-(acetyloxymethyl)-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate",NA,"CC1C(C2C(C3(CC4C(C3(C(C2(C1OC(=O)C)O)OC(=O)C)C)CC(C4=O)(C)C)COC(=O)C)OC(=O)C)OC(=O)C5=CC=CC=C5","WWWGOMJSMDSXJH-MEDNKGMWSA-N",5469444,NA,"PDBC12209","688231","Present",NA,NA
+"12210","2,3,4,4'-Tetramethoxy-1,1'-biphenyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,4'-Tmbp",NA,"COC1=CC=C(C=C1)C2=C(C(=C(C=C2)OC)OC)OC","TZYDMNYEWNWIMB-UHFFFAOYSA-N",165441,NA,"PDBC12210","36768","Present",NA,NA
+"12211","2,3,4,5,6-Pentachlorophenyl (4-chloro-2-methylphenoxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,5,6-Pentachlorophenyl (4-chloro-2-methylphenoxy)acetate",NA,"CC1=C(C=CC(=C1)Cl)OCC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl","AFZUEPRXYHCXRD-UHFFFAOYSA-N",302937,NA,"PDBC12211","190694","Present",NA,NA
+"12212","2,3,4,5,6-Pentachlorophenyl 2-((3-methyl-2-((3-methyl-2-((trifluoroacetyl)amino)butanoyl)amino)butanoyl)amino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,5,6-Pentachlorophenyl 2-((3-methyl-2-((3-methyl-2-((trifluoroacetyl)amino)butanoyl)amino)butanoyl)amino)propanoate",NA,"CC(C)C(C(=O)NC(C)C(=O)OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)NC(=O)C(C(C)C)NC(=O)C(F)(F)F","NBEXCWSOFZSABN-UHFFFAOYSA-N",381814,NA,"PDBC12212","668887","Present",NA,NA
+"12213","2,3,4,5,6-Pentachlorophenyl 2-(phenylcarbonylamino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,5,6-Pentachlorophenyl 2-(phenylcarbonylamino)acetate",NA,"C1=CC=C(C=C1)C(=O)NCC(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl","DNRAMFMTBFHONY-UHFFFAOYSA-N",286703,NA,"PDBC12213","145672","Present",NA,NA
+"12214","2,3,4,5,6-Pentafluorophenylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP001922",NA,"C(C#N)C1=C(C(=C(C(=C1F)F)F)F)F","YDNOJUAQBFXZCR-UHFFFAOYSA-N",69554,NA,"PDBC12214","612875","Present",NA,NA
+"12215","2,3,4,5,6-Pentakis-phenylpyrylium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624847",NA,"C1=CC=C(C=C1)C2=C(C(=[O+]C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[O-]Cl(=O)(=O)=O","QWALHAKTYRNIQY-UHFFFAOYSA-M",11330456,NA,"PDBC12215","624847","Present",NA,NA
+"12216","2,3,4,5-Tetraacetoxymercurithiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercury, tetrakis(acetato)(2,3,4,5-thiophenetetrayl)tetra-",NA,"CC(=O)O[Hg]C1=C(SC(=C1[Hg]OC(=O)C)[Hg]OC(=O)C)[Hg]OC(=O)C","HJQNAYSBLJGRJT-UHFFFAOYSA-J",16683745,NA,"PDBC12216","145801","Present",NA,NA
+"12217","2,3,4,5-Tetraacetyloxyhexanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC-907/25005272",NA,"CC(=O)OC(C(C(C(=O)O)OC(=O)C)OC(=O)C)C(C(=O)O)OC(=O)C","RITGLGZGMSTJIQ-UHFFFAOYSA-N",230395,NA,"PDBC12217","25290","Present",NA,NA
+"12218","2,3,4,5-Tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,5-tetrabromo-6-(3,6-dihydroxy-9H-xanthen-9-yl)benz...",NA,"C1=CC2=C(C=C1O)OC3=C(C2C4=C(C(=C(C(=C4Br)Br)Br)Br)C(=O)O)C=CC(=C3)O","ABKDQIYZBHXIDA-UHFFFAOYSA-N",274104,NA,"PDBC12218","119889","Present",NA,NA
+"12219","2,3,4,5-Tetrachloro-6-((1H-indazol-6-ylamino)carbonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,5-Tetrachloro-6-((1H-indazol-6-ylamino)carbonyl)benzoic acid",NA,"C1=CC2=C(C=C1NC(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O)NN=C2","NRHNTNMBNZODJZ-UHFFFAOYSA-N",320994,NA,"PDBC12219","270156","Present",NA,NA
+"12220","2,3,4,5-Tetrahydroxy-6-oxo-hexanoic acid [12-(2,3,4,5-tetrahydroxy-6-oxo-hexanoylamino)-dodecyl]-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,5-Tetrahydroxy-6-oxo-N-[12-[(2,3,4,5-tetrahydroxy-6-oxohexanoyl)amino]dodecyl]hexanamide",NA,"C(CCCCCCNC(=O)C(C(C(C(C=O)O)O)O)O)CCCCCNC(=O)C(C(C(C(C=O)O)O)O)O","BURHNIUXIPTERU-UHFFFAOYSA-N",382455,NA,"PDBC12220","670020","Present",NA,NA
+"12221","2,3,4,5-Tetrahydroxypentanehydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,5-Tetrahydroxypentanehydrazide",NA,"C(C(C(C(C(=O)NN)O)O)O)O","GQRGREOAXWDDQQ-UHFFFAOYSA-N",243316,NA,"PDBC12221","52902","Present",NA,NA
+"12222","2,3,4,5-Tetramethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,5-Tetramethoxybenzamide",NA,"COC1=C(C(=C(C(=C1)C(=O)N)OC)OC)OC","ORMFJRSZBIHCFJ-UHFFFAOYSA-N",359189,NA,"PDBC12222","619871","Present",NA,NA
+"12223","2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl (10E,13E)-octadeca-10,13-dienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl (10E,13E)-octadeca-10,13-dienoate",NA,"CCCCC=CCC=CCCCCCCCCC(=O)OCC1CCCN2C1CCCC2","VHRHCOQFSHKQLI-HHWLVVFRSA-N",5459283,NA,"PDBC12223","685527","Present",NA,NA
+"12224","2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl 2-(1,3-dioxoisoindol-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl 2-(1,3-dioxoisoindol-2-yl)acetate",NA,"C1CCN2CCCC(C2C1)COC(=O)CN3C(=O)C4=CC=CC=C4C3=O","GJCQCBQSFMXFTI-UHFFFAOYSA-N",5459286,NA,"PDBC12224","685531","Present",NA,NA
+"12225","2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl 3-chlorobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl 3-chlorobutanoate",NA,"CC(CC(=O)OCC1CCCN2C1CCCC2)Cl","ROHPXULMYHXOLH-UHFFFAOYSA-N",5459284,NA,"PDBC12225","685528","Present",NA,NA
+"12226","2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl pyridine-3-carboxylate",NA,"C1CCN2CCCC(C2C1)COC(=O)C3=CN=CC=C3","MSQYOYUITDERLP-UHFFFAOYSA-N",5459285,NA,"PDBC12226","685530","Present",NA,NA
+"12227","2,3,4,6,7-Pentamethoxy-9H-fluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,6,7-Pentamethoxy-9H-fluoren-9-one",NA,"COC1=C(C=C2C(=C1)C3=C(C(=C(C=C3C2=O)OC)OC)OC)OC","RAOUCZHCWRKLKL-UHFFFAOYSA-N",363261,NA,"PDBC12227","628012","Present",NA,NA
+"12228","2,3,4-Tribromo-5-(3,5-dibromo-2,6-dimethoxyphenyl)-1H-pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4-Tribromo-5-(3,5-dibromo-2,6-dimethoxyphenyl)-1H-pyrrole",NA,"COC1=C(C(=C(C=C1Br)Br)OC)C2=C(C(=C(N2)Br)Br)Br","DRWWCZBRDDBVMR-UHFFFAOYSA-N",369632,NA,"PDBC12228","641542","Present",NA,NA
+"12229","2,3,4-Trihydroxy-4-(2-thioxooxazolidin-5-yl)butanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4-Trihydroxy-4-(2-thioxooxazolidin-5-yl)butanal",NA,"C1C(OC(=S)N1)C(C(C(C=O)O)O)O","QLGLZMOFRFISTH-UHFFFAOYSA-N",3004975,NA,"PDBC12229","666129","Present",NA,NA
+"12230","2,3,4-Tris(hydroxymethyl)-5,8-dihydro-7H-pyrano[4,3-b]pyridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4-Tris(hydroxymethyl)-5,8-dihydro-7H-pyrano[4,3-b]pyridin-7-one",NA,"C1C2=C(COC1=O)C(=C(C(=N2)CO)CO)CO","REIONIYEANSVTB-UHFFFAOYSA-N",374571,NA,"PDBC12230","652545","Present",NA,NA
+"12231","2,3,4-Tris-benzyloxy-7-fluoro-6,8-dioxa-bicyclo[3.2.1]octane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4-Tris-benzyloxy-7-fluoro-6,8-dioxa-bicyclo[3.2.1]octane",NA,"C1=CC=C(C=C1)COC2C3C(OC(O3)C(C2OCC4=CC=CC=C4)OCC5=CC=CC=C5)F","VVYYABQKOHJFPD-UHFFFAOYSA-N",364917,NA,"PDBC12231","631804","Present",NA,NA
+"12232","2,3,4a,8,12b-Pentahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz[a]anthracene-1,7,12(12b-H)-trione, 2,3,4,4a-tetra- ...",NA,"CC1(CC2(C=CC3=C(C2(C(=O)C1O)O)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O","TVRZORMBTKRMAO-UHFFFAOYSA-N",43854,NA,"PDBC12232","368697","Present",NA,NA
+"12233","2,3,5,6,7,8,9,9a-Octahydro-1H-benzo[a]cyclohepten-2-yl(diphenyl)phosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-diphenylphosphoryl-2,3,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene",NA,"C1CCC2CC(CC=C2CC1)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","IZFJIOPRYIDKFO-UHFFFAOYSA-N",364914,NA,"PDBC12233","631801","Present",NA,NA
+"12234","2,3,5,6,7,8-Hexahydropyrrolizin-1-one;2,4,6-trinitrophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,5,6,7,8-hexahydropyrrolizin-1-one; picric acid",NA,"C1CC2C(=O)CCN2C1.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","HMXOCEBEADFWJP-UHFFFAOYSA-N",387012,NA,"PDBC12234","680333","Present",NA,NA
+"12235","2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)10-undecenylphosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[Phenyl(undec-10-enyl)phosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene",NA,"C=CCCCCCCCCCP(=O)(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCOCCOCCOCCO3","VNESALLUNPJGSF-UHFFFAOYSA-N",374219,NA,"PDBC12235","651709","Present",NA,NA
+"12236","2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-ylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-17-ylphosphonic acid",NA,"C1COCCOC2=C(C=C(C=C2)P(=O)(O)O)OCCOCCO1","FYVSNUCIUWSALH-UHFFFAOYSA-N",376523,NA,"PDBC12236","657482","Present",NA,NA
+"12237","2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,5,6,8,9,11,12-Octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-sulfonamide",NA,"C1COCCOC2=C(C=C(C=C2)S(=O)(=O)N)OCCOCCO1","GECGMOOZAWAKPE-UHFFFAOYSA-N",376526,NA,"PDBC12237","657485","Present",NA,NA
+"12238","2,3,5,6-Tetrafluorobenzenethiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OU983I5IKR",NA,"C1=C(C(=C(C(=C1F)F)S)F)F","IGOGJHYWSOZGAE-UHFFFAOYSA-N",69859,NA,"PDBC12238","96887","Present",NA,NA
+"12239","2,3,5,6-Tetrahydro-1H-benzo[f][1,4]diazepino[3,2,1-ij]quinoline-1,7(8H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo[h]pyrido[1,2,3-ef][1,5]benzodiazepine-1,7(8H)-d...",NA,"C1CN2CCC(=O)NC3=CC4=CC=CC=C4C(=C32)C1=O","CZXYUWVDRUMHPL-UHFFFAOYSA-N",371132,NA,"PDBC12239","645092","Present",NA,NA
+"12240","2,3,5,6-Tetrahydro-3,5-dioxo-2,6-dihexyl-4H-1,2,6-thiadiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dihexyl-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide",NA,"CCCCCCN1C(=O)CC(=O)N(S1(=O)=O)CCCCCC","JKQRSYNXIKTECI-UHFFFAOYSA-N",403539,NA,"PDBC12240","718555","Present",NA,NA
+"12241","2,3,5,6-Tetrahydroxy-4-methoxy-N'-phenylhexanehydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HYXALBNMTPMXOQ-UHFFFAOYSA-N",NA,"COC(C(CO)O)C(C(C(=O)NNC1=CC=CC=C1)O)O","HYXALBNMTPMXOQ-UHFFFAOYSA-N",345720,NA,"PDBC12241","403468","Present",NA,NA
+"12242","2,3,5,6-Tetramethyl-4-((((4-methylphenyl)sulfinyl)oxy)methyl)benzyl 4-methylbenzenesulfinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,5,6-Tetramethyl-4-((((4-methylphenyl)sulfinyl)oxy)methyl)benzyl 4-methylbenzenesulfinate",NA,"CC1=CC=C(C=C1)S(=O)OCC2=C(C(=C(C(=C2C)C)COS(=O)C3=CC=C(C=C3)C)C)C","NZXOYAXVOGYOLE-UHFFFAOYSA-N",361217,NA,"PDBC12242","624177","Present",NA,NA
+"12243","2,3,5,6-Tetramethylpyrazine 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A818196",NA,"CC1=C([N+](=O)C(=C(N1[O-])C)C)C","JGDKFQZZRSSDPH-UHFFFAOYSA-N",227746,NA,"PDBC12243","19727","Present",NA,NA
+"12244","2,3,5,8-Tetrahydroxy-2-methyl-1,2,3,4-tetrahydro-9,10-anthracenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Anthracenedione, 1,2,3,4-tetrahydro- 2,3,5,8-tetrah...",NA,"CC1(CC2=C(CC1O)C(=C3C(=O)C=CC(=O)C3=C2O)O)O","PPLKCVVBJTYAFT-UHFFFAOYSA-N",331314,NA,"PDBC12244","322355","Present",NA,NA
+"12245","2,3,5-Triphenyl-1,3-selenazol-3-ium-4-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,5-Triphenyl-1,3-selenazol-3-ium-4-olate",NA,"C1=CC=C(C=C1)C2=C([N+](=C([Se]2)C3=CC=CC=C3)C4=CC=CC=C4)[O-]","JICIQSRTUDKTOF-UHFFFAOYSA-N",363056,NA,"PDBC12245","627605","Present",NA,NA
+"12246","2,3,5-Triphenyltetrazolium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tptz",NA,"C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","PKDBCJSWQUOKDO-UHFFFAOYSA-M",9283,NA,"PDBC12246","5053","Present",NA,NA
+"12247","2,3,5-Tris(2-thienyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,5-Tris(2-thienyl)thiophene",NA,"C1=CSC(=C1)C2=CC(=C(S2)C3=CC=CS3)C4=CC=CS4","DCPXRPFZUQQHBW-UHFFFAOYSA-N",376724,NA,"PDBC12247","657770","Present",NA,NA
+"12248","2,3,5-Trithiahexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,5-Trithiahexane",NA,"CSCSSC","MYIOBINSHMEDEY-UHFFFAOYSA-N",93236,NA,"PDBC12248","710988","Present",NA,NA
+"12249","2,3,6,11-Tetramethylbenzimidazolo[1,2-b]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6,11-Tetramethylbenzimidazo[1,2-b]isoquinoline",NA,"CC1=CC2=C(C=C1C)N3C(=C4C=CC=CC4=C(C3=N2)C)C","HXHFKNUZGSZEQN-UHFFFAOYSA-N",379115,NA,"PDBC12249","663329","Present",NA,NA
+"12250","2,3,6,2,3,4,6-Hepta-O-acetyl-b-maltosyl azide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-azido-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N=[N+]=[N-])OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","JFCQZWVIHHPJTD-UHFFFAOYSA-N",4144737,NA,"PDBC12250","636812","Present",NA,NA
+"12251","2,3,6,7-Tetrabenzoylthiopyrano[3,2-b]thiopyran-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6,7-Tetrabenzoylthiopyrano[3,2-b]thiopyran-4,8-dione",NA,"C1=CC=C(C=C1)C(=O)C2=C(SC3=C(C2=O)SC(=C(C3=O)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6","DLYDHGZBDLRJFZ-UHFFFAOYSA-N",399527,NA,"PDBC12251","710391","Present",NA,NA
+"12252","2,3,6,7-Tetrabromo-3,7-dimethyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6,7-Tetrabromo-3,7-dimethyloct-1-ene",NA,"CC(C)(C(CCC(C)(C(=C)Br)Br)Br)Br","NPUWTHRIMANTOV-UHFFFAOYSA-N",376325,NA,"PDBC12252","657139","Present",NA,NA
+"12253","2,3,6,7-Tetrachloro-3,7-dimethyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6,7-Tetrachloro-3,7-dimethyloct-1-ene",NA,"CC(C)(C(CCC(C)(C(=C)Cl)Cl)Cl)Cl","NQOZSSNSFWUVSE-UHFFFAOYSA-N",382932,NA,"PDBC12253","670809","Present",NA,NA
+"12254","2,3,6,7-Tetrakis[tert-butyl(methyl)carbamoyl]cubane-1,4-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6,7-Tetrakis[tert-butyl(methyl)carbamoyl]cubane-1,4-dicarboxylic acid",NA,"CC(C)(C)N(C)C(=O)C12C3C4(C1(C5C2(C3(C54C(=O)N(C)C(C)(C)C)C(=O)O)C(=O)N(C)C(C)(C)C)C(=O)O)C(=O)N(C)C(C)(C)C","FEPBPPURYMFXIJ-UHFFFAOYSA-N",386913,NA,"PDBC12254","679814","Present",NA,NA
+"12255","2,3,6,7-Tetramethoxy-8b,9,11,12,13,13a,14,14a-octahydrophenanthro[9,10-f]indolizin-14-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6,7-Tetramethoxy-8b,9,10,11,12,12a,13,13a-octahydro-...",NA,"COC1=C(C=C2C(=C1)C3CN4CCCC4C(C3C5=CC(=C(C=C52)OC)OC)O)OC","HYALGBPFSAGPSX-UHFFFAOYSA-N",402925,NA,"PDBC12255","717336","Present",NA,NA
+"12256","2,3,6-Piperidinetrione, 4-(2-benzothiazolyl)-5-[(1,2,3,4-tetrahydro-1,4-dioxo-5-phthalazinyl)imino]-, (5E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-5-[(1,4-dioxo-2,3-dihydrophthalazin-5-yl)imino]piperidine-2,3,6-trione",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=NC4=CC=CC5=C4C(=O)NNC5=O)C(=O)NC(=O)C3=O","WIDJFCRTFAJYBM-UHFFFAOYSA-N",360710,NA,"PDBC12256","623046","Present",NA,NA
+"12257","2,3,6-Tribromo-7-chloro-3,7-dimethyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6-Tribromo-7-chloro-3,7-dimethyl-1-octene",NA,"CC(C)(C(CCC(C)(C(=C)Br)Br)Br)Cl","ORSDYIOUHDVWAO-UHFFFAOYSA-N",377930,NA,"PDBC12257","659553","Present",NA,NA
+"12258","2,3,6-Trichloro-3,7-dimethyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6-Trichloro-3,7-dimethyloct-1-ene",NA,"CC(C)C(CCC(C)(C(=C)Cl)Cl)Cl","CFMAZVBKHYYPCB-UHFFFAOYSA-N",382937,NA,"PDBC12258","670814","Present",NA,NA
+"12259","2,3,6-Trimethoxyphenanthrene-9-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-27458",NA,"COC1=CC2=C3C=C(C(=CC3=CC(=C2C=C1)C(=O)O)OC)OC","SDTPCRDDXQVACT-UHFFFAOYSA-N",363251,NA,"PDBC12259","627999","Present",NA,NA
+"12260","2,3,7,8-Tetrachlorodibenzo-P-dioxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,7,8-TCDD",NA,"C1=C2C(=CC(=C1Cl)Cl)OC3=CC(=C(C=C3O2)Cl)Cl","HGUFODBRKLSHSI-UHFFFAOYSA-N",15625,NA,"PDBC12260","767477","Present",NA,NA
+"12261","2,3,7-Trichloro-10H-phenothiazine-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,7-Trichloro-10H-phenothiazine-1,4-dione",NA,"C1=CC2=C(C=C1Cl)SC3=C(N2)C(=O)C(=C(C3=O)Cl)Cl","HYUMDPDNCXJVQD-UHFFFAOYSA-N",328364,NA,"PDBC12261","306736","Present",NA,NA
+"12262","2,3,8,9,10,11-Hexahydro[1]benzothieno[3,2-e]imidazo[1,2-c]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Thia-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene",NA,"C1CCC2=C(C1)C3=C(S2)N=CN4C3=NCC4","IAMFUBHYGGVHLJ-UHFFFAOYSA-N",386695,NA,"PDBC12262","679225","Present",NA,NA
+"12263","2,3,8,9,14,15,20,21,25,26,27,28-Dodecathiapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,8,9,14,15,20,21,25,26,27,28-Dodecathiapentacyclo[20.2.1.14,7.110,13.116,19]octacosa-1(24),4,6,10,12,16,18,22-octaene",NA,"C1=C2SC(=C1)SSC3=CC=C(S3)SSC4=CC=C(S4)SSC5=CC=C(S5)SS2","RYUWLBGMUGBRGK-UHFFFAOYSA-N",396835,NA,"PDBC12263","703849","Present",NA,NA
+"12264","2,3,8,9-Tetramethoxy-5,6,11,12-tetrahydrodibenzo[a,e]cyclooctene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,14,15-Tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene",NA,"COC1=C(C=C2CCC3=CC(=C(C=C3CCC2=C1)OC)OC)OC","RKVGKURQFXVJQO-UHFFFAOYSA-N",390044,NA,"PDBC12264","686958","Present",NA,NA
+"12265","2,3,8,9-Tetramethoxydibenzo[a,e]cycloocten-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10Z)-6,7,14,15-Tetramethoxytricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaen-2-one",NA,"COC1=C(C=C2C=CC3=CC(=C(C=C3C(=O)CC2=C1)OC)OC)OC","QOZMAWTZZQSRHW-WAYWQWQTSA-N",5469351,NA,"PDBC12265","686956","Present",NA,NA
+"12266","2,3,8,9-Tetramethoxydibenzo[a,e]cycloocten-5(6H)-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[(10Z)-6,7,14,15-tetramethoxy-2-tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaenylidene]hydroxylamine",NA,"COC1=C(C=C2C=CC3=CC(=C(C=C3C(=NO)CC2=C1)OC)OC)OC","AZWBOKQODFMQQM-GTQDDMLFSA-N",9571640,NA,"PDBC12266","693414","Present",NA,NA
+"12267","2,3,8-Trimethoxy-4-methylidene-6-nitrocarbazol-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,8-Trimethoxy-4-methylidene-6-nitrocarbazol-1-ol",NA,"COC1=CC(=CC2=C3C(=C)C(=C(C(=C3N=C12)O)OC)OC)[N+](=O)[O-]","RYYZFMGVMDSVNL-UHFFFAOYSA-N",396969,NA,"PDBC12267","704206","Present",NA,NA
+"12268","2,3,8-Trimethoxy-5-methylbenzo[c]phenanthridin-5-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-2,3,8-trimethoxybenzo[c]phenanthridinium iodide",NA,"C[N+]1=C2C(=C3C=CC(=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.[I-]","AEVHEVMUTMXZGN-UHFFFAOYSA-M",387182,NA,"PDBC12268","680718","Present",NA,NA
+"12269","2,3,8-Trimethoxybenzo(c)phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,8-Trimethoxybenzo[c]phenanthridine",NA,"COC1=CC2=CN=C3C(=C2C=C1)C=CC4=CC(=C(C=C43)OC)OC","ODTIETJGJCIYGE-UHFFFAOYSA-N",387178,NA,"PDBC12269","680714","Present",NA,NA
+"12270","2,3,8-Tris(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,8-Tris(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyrazine",NA,"C1=CC=C(C=C1)C2=CN3C(=C(N=C3C(=N2)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","OFKVMUKOYFCWBU-UHFFFAOYSA-N",45027993,NA,"PDBC12270","740501","Present",NA,NA
+"12271","2,3,9,10-Tetramethoxy-12-phenyl-7,12-dihydro-5H-6,12-methanodibenz[c,f]azocine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,13,14-Tetramethoxy-1-phenyl-9-azatetracyclo[7.7.1.02,7.011,16]heptadeca-2,4,6,11,13,15-hexaene",NA,"COC1=C(C=C2C(=C1)CN3CC4=CC(=C(C=C4C2(C3)C5=CC=CC=C5)OC)OC)OC","GPAVWIODZIREBM-UHFFFAOYSA-N",402884,NA,"PDBC12271","717191","Present",NA,NA
+"12272","2,3,9,10-Tetramethoxy-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,12,12a-Tetrahydro-2,3,9,10-tetramethoxyindolo[2,1-a]...",NA,"COC1=C(C=C2C3CC4=CC(=C(C=C4N3CCC2=C1)OC)OC)OC","HSVWVJHFMUWLHL-UHFFFAOYSA-N",366737,NA,"PDBC12272","635459","Present",NA,NA
+"12273","2,3,9,10-Tetramethoxy-5,6-dihydroindolo[2,1-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-2,3,9,10-tetramethoxyindolo[2,1-a]isoquinoline",NA,"COC1=C(C=C2C(=C1)CCN3C2=CC4=CC(=C(C=C43)OC)OC)OC","INMRGFQENBQMLA-UHFFFAOYSA-N",366738,NA,"PDBC12273","635460","Present",NA,NA
+"12274","2,3,9,10-Tetramethoxy-5,7,12,13-tetrahydrobenzo[d][1]benzazonin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,9,10-Tetramethoxy-5,7,12,13-tetrahydrobenzo[d][1]benzazonin-6-one",NA,"COC1=C(C=C2CC(=O)NC3=CC(=C(C=C3CCC2=C1)OC)OC)OC","RGFSBKYKDHQRKD-UHFFFAOYSA-N",362868,NA,"PDBC12274","627274","Present",NA,NA
+"12275","2,3,9,10-Tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,9,10-Tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-8-carbonitrile",NA,"COC1=C(C2=C(C=C1)C=C3C4=CC(=C(C=C4CCN3C2C#N)OC)OC)OC","RXUHTKZJTZPOFK-UHFFFAOYSA-N",397863,NA,"PDBC12275","706486","Present",NA,NA
+"12276","2,3,9,10-Tetramethoxyindolo[2,1-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,9,10-Tetramethoxyindolo[2,1-a]isoquinoline",NA,"COC1=C(C=C2C(=C1)C=CN3C2=CC4=CC(=C(C=C43)OC)OC)OC","XNRNTISMBNPOTJ-UHFFFAOYSA-N",366739,NA,"PDBC12276","635461","Present",NA,NA
+"12277","2,3,9-Trimethoxy-5,6,12,12a-tetrahydroindolo[2,1-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,12,12a-Tetrahydro-2,3,9-trimethoxyindolo[2,1-a] isoq...",NA,"COC1=CC2=C(CC3N2CCC4=CC(=C(C=C34)OC)OC)C=C1","AAFHVEXHFUEGIX-UHFFFAOYSA-N",366190,NA,"PDBC12277","634517","Present",NA,NA
+"12278","2,3,9-Trimethoxy-5,6-dihydrobenzimidazo[2,1-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,9-Trimethoxy-5,6-dihydrobenzimidazo[2,1-a]isoquinoline",NA,"COC1=CC2=C(C=C1)N=C3N2CCC4=CC(=C(C=C43)OC)OC","BENWOACKZLTENV-UHFFFAOYSA-N",401241,NA,"PDBC12278","714448","Present",NA,NA
+"12279","2,3,9-Trimethoxyindolo[2,1-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,9-Trimethoxyindolo [2,1-a]isoquinoline",NA,"COC1=CC2=C(C=C1)C=C3N2C=CC4=CC(=C(C=C43)OC)OC","XGZUXDLZTSHJML-UHFFFAOYSA-N",366192,NA,"PDBC12279","634519","Present",NA,NA
+"12280","2,3-(Methylenedioxy)-8,9-dimethoxy-N-[2-(dimethylamino)ethyl]benzo[c]phenanthridin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-13-yl)-N',N'-dimethylethane-1,2-diamine",NA,"CN(C)CCNC1=NC2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C51)OC)OC","YHXBBAZZCMYSLT-UHFFFAOYSA-N",381592,NA,"PDBC12280","668383","Present",NA,NA
+"12281","2,3-Bis((2,4-dichlorophenyl)diazenyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis((2,4-dichlorophenyl)diazenyl)quinoxaline",NA,"C1=CC=C2C(=C1)N=C(C(=N2)N=NC3=C(C=C(C=C3)Cl)Cl)N=NC4=C(C=C(C=C4)Cl)Cl","ZKUBKMHWDIWXSW-UHFFFAOYSA-N",368638,NA,"PDBC12281","639751","Present",NA,NA
+"12282","2,3-Bis(1,4-dimethoxy-2-naphthyl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(1,4-dimethoxy-2-naphthyl)naphthalene-1,4-dione",NA,"COC1=CC(=C(C2=CC=CC=C21)OC)C3=C(C(=O)C4=CC=CC=C4C3=O)C5=C(C6=CC=CC=C6C(=C5)OC)OC","MZUZDEWSUNVOOB-UHFFFAOYSA-N",394548,NA,"PDBC12282","698093","Present",NA,NA
+"12283","2,3-Bis(2-chloroprop-2-enyl)-1,4-dihydroxyanthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(2-chloroprop-2-en-1-yl)-1,4-dihydroxyanthracene-9,10-dione",NA,"C=C(CC1=C(C(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O)CC(=C)Cl)Cl","XDWDKXBCZZRODX-UHFFFAOYSA-N",374057,NA,"PDBC12283","651313","Present",NA,NA
+"12284","2,3-Bis(2-pyridyl)quinoxalin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dipyridin-2-ylquinoxalin-6-amine",NA,"C1=CC=NC(=C1)C2=NC3=C(C=C(C=C3)N)N=C2C4=CC=CC=N4","SWDUDKWZCXZRML-UHFFFAOYSA-N",393976,NA,"PDBC12284","697063","Present",NA,NA
+"12285","2,3-Bis(2-pyridyl)quinoxaline-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TCMDC-123820",NA,"C1=CC=NC(=C1)C2=NC3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=N4","VRFWYLDPDZEWMT-UHFFFAOYSA-N",394188,NA,"PDBC12285","697457","Present",NA,NA
+"12286","2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(3,5-dimethylpyrazol-1-yl)benzene-1,4-diol",NA,"CC1=CC(=NN1C2=C(C=CC(=C2N3C(=CC(=N3)C)C)O)O)C","GXEOMTLNPFCXRA-UHFFFAOYSA-N",371594,NA,"PDBC12286","645988","Present",NA,NA
+"12287","2,3-Bis(3,6-dioxocyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(3,6-dioxocyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone",NA,"CC1=C(C(=O)C(=C(C1=O)C2=CC(=O)C=CC2=O)C3=CC(=O)C=CC3=O)C","XGMCXKNPJKEQOG-UHFFFAOYSA-N",394544,NA,"PDBC12287","698089","Present",NA,NA
+"12288","2,3-Bis(3-indolylmethyl)indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisimi",NA,"C1=CC=C2C(=C1)C(=CN2)CC3=C(NC4=CC=CC=C43)CC5=CNC6=CC=CC=C65","MJHVZTDHBWQIMN-UHFFFAOYSA-N",132142,NA,"PDBC12288","708487","Present",NA,NA
+"12289","2,3-Bis(4,5-dimethyl-3,6-dioxo-1,4-cyclohexadien-1-yl)naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 2,3-bis(4,5-dimethyl-3,6-dioxo-1,4...",NA,"CC1=C(C(=O)C(=CC1=O)C2=C(C(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C(=C(C4=O)C)C)C","UJITXAYUOHCCBY-UHFFFAOYSA-N",394547,NA,"PDBC12289","698092","Present",NA,NA
+"12290","2,3-Bis(4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-5,6-dimethyl-1,4-benzoquinone",NA,"CC1=C(C(=O)C(=CC1=O)C2=C(C(=O)C(=C(C2=O)C)C)C3=CC(=O)C(=C(C3=O)C)C)C","PNHCYDDDFFGQKW-UHFFFAOYSA-N",394545,NA,"PDBC12290","698090","Present",NA,NA
+"12291","2,3-Bis(4-(2-(diethylamino)ethoxy)phenyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(4-(2-(diethylamino)ethoxy)phenyl)acrylonitrile",NA,"CCN(CC)CCOC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)OCCN(CC)CC","IXALFAKDQLWUOL-NJNXFGOHSA-N",5466693,NA,"PDBC12291","641161","Present",NA,NA
+"12292","2,3-Bis(4-chlorophenyl)-1-methylpropylamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC23030",NA,"CC(C(CC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)N.Cl","KHKARPYRYIPKRD-UHFFFAOYSA-N",22270427,NA,"PDBC12292","23030","Present",NA,NA
+"12293","2,3-Bis(4-chlorophenyl)-6,8-diphenylimidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(4-chlorophenyl)-6,8-diphenylimidazo[1,2-a]pyrazine",NA,"C1=CC=C(C=C1)C2=CN3C(=C(N=C3C(=N2)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","SUCXMXWRBPHKIG-UHFFFAOYSA-N",45027990,NA,"PDBC12293","740498","Present",NA,NA
+"12294","2,3-Bis(4-chlorophenyl)[1,2,4]triazolo[1,5-b][1,2,4]benzothiadiazepin-10(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(4-chlorophenyl)-[1,2,4]triazolo[1,5-b][1,2,4]benzothiadiazepin-5-one",NA,"C1=CC=C2C(=C1)C(=O)N=C3N=C(N(N3S2)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","ZHBHYEIKYATPHA-UHFFFAOYSA-N",369306,NA,"PDBC12294","641060","Present",NA,NA
+"12295","2,3-Bis(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole",NA,"COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OC","BAAVUEUCQDKHRP-UHFFFAOYSA-N",390236,NA,"PDBC12295","687528","Present",NA,NA
+"12296","2,3-Bis(4-methoxyphenyl)-6,8-diphenylimidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(4-methoxyphenyl)-6,8-diphenylimidazo[1,2-a]pyrazine",NA,"COC1=CC=C(C=C1)C2=C(N3C=C(N=C(C3=N2)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)OC","FLJWCCOGFGYAIQ-UHFFFAOYSA-N",45027989,NA,"PDBC12296","740497","Present",NA,NA
+"12297","2,3-Bis(dodecanoyloxy)propylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-655901",NA,"CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC","JUPMJZZCIZTCGB-UHFFFAOYSA-N",375754,NA,"PDBC12297","655901","Present",NA,NA
+"12298","2,3-Bis(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sn-3-dihexadecyl-phosphatidylcholine",NA,"CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OCCCCCCCCCCCCCCCC","MWTIGLPPQBNUFP-UHFFFAOYSA-N",118294,NA,"PDBC12298","606171","Present",NA,NA
+"12299","2,3-Bis(hydroxyamino)-2,3-dimethylsuccinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(hydroxyamino)-2,3-dimethylbutanedinitrile",NA,"CC(C#N)(C(C)(C#N)NO)NO","SUUMKLNUDQNQQK-UHFFFAOYSA-N",392322,NA,"PDBC12299","692598","Present",NA,NA
+"12300","2,3-Bis(iodomethyl)-6-methoxyquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoxaline, 2,3-bis(iodomethyl)-6-methoxy-",NA,"COC1=CC2=C(C=C1)N=C(C(=N2)CI)CI","LILYPRLZBGZTJF-UHFFFAOYSA-N",286257,NA,"PDBC12300","144173","Present",NA,NA
+"12301","2,3-Bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(naphthalen-2-ylsulfanyl)naphthalene-1,4-dione",NA,"C1=CC=C2C=C(C=CC2=C1)SC3=C(C(=O)C4=CC=CC=C4C3=O)SC5=CC6=CC=CC=C6C=C5","KPICMJZBYHEMQM-UHFFFAOYSA-N",312602,NA,"PDBC12301","222722","Present",NA,NA
+"12302","2,3-Bis(octanoyloxy)propylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-655902",NA,"CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC","NZFFRCIIGLCQFO-UHFFFAOYSA-N",375755,NA,"PDBC12302","655902","Present",NA,NA
+"12303","2,3-Bis(p-methoxyphenyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"29D9UWI50A",NA,"COC1=CC=C(C=C1)C=C(C#N)C2=CC=C(C=C2)OC","GGSJIARERFIGST-RVDMUPIBSA-N",5716814,NA,"PDBC12303","23416","Present",NA,NA
+"12304","2,3-Bis(stearoyloxy)propylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642929",NA,"CCCCCCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC","JNXVWTJGZLETLE-UHFFFAOYSA-N",370188,NA,"PDBC12304","642929","Present",NA,NA
+"12305","2,3-Bis(tetradecanoyloxy)propylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642927",NA,"CCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCC","BTPLMEPOLVRPOI-UHFFFAOYSA-N",370186,NA,"PDBC12305","642927","Present",NA,NA
+"12306","2,3-Bis(trifluoromethyl)-5,6-dihydro-2H-1,4-oxazin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(trifluoromethyl)-5,6-dihydro-1,4-oxazin-2-ol",NA,"C1COC(C(=N1)C(F)(F)F)(C(F)(F)F)O","SMFZFARVMLAUFM-UHFFFAOYSA-N",398186,NA,"PDBC12306","707781","Present",NA,NA
+"12307","2,3-Bis-(2-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis-(2-chlorophenyl)-5-hydroxymethyltetrahydrofuran-...",NA,"C1C(OC(C1(C2=CC=CC=C2Cl)O)C3=CC=CC=C3Cl)CO","SCAKDJFKHIJTNR-LQAWEQHXSA-N",44424015,NA,"PDBC12307","743320","Present",NA,NA
+"12308","2,3-Bis-(2-phenoxyethoxy)-[1,4]naphthoquinone, 2,3-Bis-(2-phenoxyethoxy)-naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis-(2-phenoxyethoxy)-[1,4]naphthoquinone, 2,3-Bis-(...",NA,"C1=CC=C(C=C1)OCCOC2=C(C(=O)C3=CC=CC=C3C2=O)OCCOC4=CC=CC=C4","AUIOMHWZHBVTPA-UHFFFAOYSA-N",60147839,NA,"PDBC12308","752642","Present",NA,NA
+"12309","2,3-Bis-(4-chlorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis-(4-chlorophenyl)-5-hydroxymethyltetrahydrofuran-...",NA,"C1C(OC(C1(C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)Cl)CO","XXJIUIJJTWMURB-ZACQAIPSSA-N",16730269,NA,"PDBC12309","743319","Present",NA,NA
+"12310","2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis-(4-fluorophenyl)-5-hydroxymethyltetrahydrofuran-...",NA,"C1C(OC(C1(C2=CC=C(C=C2)F)O)C3=CC=C(C=C3)F)CO","PKQIINYYWQVQMM-ZACQAIPSSA-N",42609841,NA,"PDBC12310","743321","Present",NA,NA
+"12311","2,3-Bis[(3,4-diacetoxycinnamoyl)amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis[(3,4-diacetoxycinnamoyl)amino]propanoic acid",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","OGYFOUPGPIQYNE-MKICQXMISA-N",5470547,NA,"PDBC12311","702990","Present",NA,NA
+"12312","2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]propanoic acid",NA,"C1=CC(=C(C=C1C=CC(=O)OCC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","YEQHQUIPLHIYJE-FCXRPNKRSA-N",5470546,NA,"PDBC12312","702989","Present",NA,NA
+"12313","2,3-Bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoic acid",NA,"COC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)O)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)OC","BRBMUUZATYIVGN-MKICQXMISA-N",5470542,NA,"PDBC12313","702985","Present",NA,NA
+"12314","2,3-Butanedione, bis(thiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Butanedione, bis(thiosemicarbazone)",NA,"CC(=NNC(=S)N)C(=NNC(=S)N)C","AFKZAGKQOZCAIZ-INWPEIIHSA-N",16046234,NA,"PDBC12314","69405","Present",NA,NA
+"12315","2,3-Dehydrosarcovagine D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dehydrosarcovagine D",NA,"CC=C(C)C(=O)NC1=CCC2(C3CCC4(C(C3CC=C2C1=O)CCC4C(C)N(C)C)C)C","ONOCTNWHGZQBIB-ZQPNADEUSA-N",54612860,NA,"PDBC12315","748913","Present",NA,NA
+"12316","2,3-Dehydrosilybin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quercetin 3',4'-coniferyl",NA,"COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C=C3)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)O)CO)O","BVKQRAYKLBRNIK-UHFFFAOYSA-N",5467200,NA,"PDBC12316","648334","Present",NA,NA
+"12317","2,3-Di(1H-pyrazol-1-yl)-1,4-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Di(1H-pyrazol-1-yl)-1,4-benzenediol",NA,"C1=CN(N=C1)C2=C(C=CC(=C2N3C=CC=N3)O)O","LPZCYKKJSCUPHC-UHFFFAOYSA-N",371595,NA,"PDBC12317","645989","Present",NA,NA
+"12318","2,3-Di-tert-butoxy-4-(4-chlorophenyl)-4-hydroxy-2-cyclobuten-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Di-tert-butoxy-4-(4-chlorophenyl)-4-hydroxy-2-cyclobuten-1-one",NA,"CC(C)(C)OC1=C(C(C1=O)(C2=CC=C(C=C2)Cl)O)OC(C)(C)C","DRQRSQXUHGJHSH-UHFFFAOYSA-N",362165,NA,"PDBC12318","625743","Present",NA,NA
+"12319","2,3-Di-tert-butoxy-4-hydroxy-4-phenyl-2-cyclobuten-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Di-tert-butoxy-4-hydroxy-4-phenyl-2-cyclobuten-1-one",NA,"CC(C)(C)OC1=C(C(C1=O)(C2=CC=CC=C2)O)OC(C)(C)C","ZWAPHUMOPRVZID-UHFFFAOYSA-N",362166,NA,"PDBC12319","625744","Present",NA,NA
+"12320","2,3-Diaminosuccinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C4H8N2O4",NA,"C(C(C(=O)O)N)(C(=O)O)N","PGNYNCTUBKSHHL-UHFFFAOYSA-N",287290,NA,"PDBC12320","146876","Present",NA,NA
+"12321","2,3-Diazido-phenalen-1-on",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Diazido-phenalen-1-on",NA,"C1=CC2=C3C(=C1)C(=C(C(=O)C3=CC=C2)N=[N+]=[N-])N=[N+]=[N-]","KEDLJWKZWTZCBJ-UHFFFAOYSA-N",387478,NA,"PDBC12321","681281","Present",NA,NA
+"12322","2,3-Dibenzoyl-4-thioxo-4H-thieno[3,2-c]thiopyran-6,7-dicarboxylic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diethyl 2,3-dibenzoyl-4-thioxo-4H-thieno[3,2-c]thiopyran...",NA,"CCOC(=O)C1=C(SC(=S)C2=C1SC(=C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)OCC","SKBMOBHTDOTMBO-UHFFFAOYSA-N",11376086,NA,"PDBC12322","732990","Present",NA,NA
+"12323","2,3-Dibenzoyloxy-4-hydroxy-4-oxobutanoate;(2,5-dimethylphenyl)-(4-methylphenyl)-phenylsulfanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dibenzoyloxy-4-hydroxy-4-oxobutanoate;(2,5-dimethylphenyl)-(4-methylphenyl)-phenylsulfanium",NA,"CC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=C(C=CC(=C3)C)C.C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)O","UPAYOWHZAHIRRV-UHFFFAOYSA-M",5351228,NA,"PDBC12323","116693","Present",NA,NA
+"12324","2,3-Dibromo-1,4-bis(3-cyclohexylprop-1-ynyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dibromo-1,4-bis(3-cyclohexylprop-1-ynyl)benzene",NA,"C1CCC(CC1)CC#CC2=C(C(=C(C=C2)C#CCC3CCCCC3)Br)Br","RUPISUHOEMNSSY-UHFFFAOYSA-N",393451,NA,"PDBC12324","695359","Present",NA,NA
+"12325","2,3-Dibromo-1,4-bis(4,4,4-triphenylbut-1-ynyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dibromo-1,4-bis(4,4,4-triphenylbut-1-ynyl)benzene",NA,"C1=CC=C(C=C1)C(CC#CC2=C(C(=C(C=C2)C#CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Br)Br)(C6=CC=CC=C6)C7=CC=CC=C7","KMNSGCVTMFGTFC-UHFFFAOYSA-N",393452,NA,"PDBC12325","695360","Present",NA,NA
+"12326","2,3-Dibromo-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dibromo-1,4-naphthoquinone///1,4-Naphthalenedione, 2,3-diphenyl-",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Br)Br","PSMABVOYZJWFBV-UHFFFAOYSA-N",83259,NA,"PDBC12326","106320///618332","Present",NA,NA
+"12327","2,3-Dibromo-1-(4-nitrophenyl)-3-quinolin-4-ylpropan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dibromo-1-(4-(hydroxy(oxido)amino)phenyl)-3-(4-quinolinyl)-1-propanone",NA,"C1=CC=C2C(=C1)C(=CC=N2)C(C(C(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br)Br","OVEVOPGYRGCOMR-UHFFFAOYSA-N",288920,NA,"PDBC12327","150289","Present",NA,NA
+"12328","2,3-Dibromo-1H-benzo[a]cycloheptene-1,4,7-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-dibromobenzo[7]annulene-1,4,7-trione",NA,"C1=CC2=C(C=CC1=O)C(=O)C(=C(C2=O)Br)Br","MXNJXAAYHKFDPH-UHFFFAOYSA-N",373412,NA,"PDBC12328","649667","Present",NA,NA
+"12329","2,3-Dibromo-2,3-diphenylcyclopropane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dibromo-2,3-diphenylcyclopropanecarboxylic acid",NA,"C1=CC=C(C=C1)C2(C(C2(C3=CC=CC=C3)Br)C(=O)O)Br","OTXLGBBKQMNCTE-UHFFFAOYSA-N",281957,NA,"PDBC12329","134981","Present",NA,NA
+"12330","2,3-Dibromo-3-(2-nitrophenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dibromo-3-(2-(hydroxy(oxido)amino)phenyl)propanoic acid",NA,"C1=CC=C(C(=C1)C(C(C(=O)O)Br)Br)[N+](=O)[O-]","ZZBGCCIQPYEBFF-UHFFFAOYSA-N",318492,NA,"PDBC12330","255088","Present",NA,NA
+"12331","2,3-Dibromo-3-phenylpropanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrocinnamaldehyde, .alpha.,.beta.-dibromo-",NA,"C1=CC=C(C=C1)C(C(C=O)Br)Br","DVHARADPZCQQHR-UHFFFAOYSA-N",151715,NA,"PDBC12331","155556","Present",NA,NA
+"12332","2,3-Dibromo-3-phenylpropanal (5,6-diphenyl-1,2,4-triazin-3-yl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dibromo-3-phenylpropanal (5,6-diphenyl-1,2,4-triazin-3-yl)hydrazone",NA,"C1=CC=C(C=C1)C2=C(N=NC(=N2)NN=CC(C(C3=CC=CC=C3)Br)Br)C4=CC=CC=C4","JRXLDARVHCBKOA-JVWAILMASA-N",5351383,NA,"PDBC12332","640638","Present",NA,NA
+"12333","2,3-Dibromo-3-phenylpropiophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chalcone dibromide",NA,"C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)Br)Br","LYAGBKGGYRLVTR-UHFFFAOYSA-N",95342,NA,"PDBC12333","2715","Present",NA,NA
+"12334","2,3-Dibromo-4-(4-methoxyphenyl)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC168656",NA,"COC1=CC=C(C=C1)C(=O)C(C(C(=O)O)Br)Br","ZLMNCWVKKNTEIG-UHFFFAOYSA-N",297496,NA,"PDBC12334","168656","Present",NA,NA
+"12335","2,3-Dibromo-4-(5-chloro-2-methoxyanilino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanoic acid, 2,3-dibromo-4-[(5-chloro-2-methoxyphenyl)...",NA,"COC1=C(C=C(C=C1)Cl)NC(=O)C(C(C(=O)O)Br)Br","NJKZXOAMAFIPOQ-UHFFFAOYSA-N",307450,NA,"PDBC12335","205555","Present",NA,NA
+"12336","2,3-Dibromo-5,8-dihydroxynaphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dibromo-5,8-dihydroxynaphthoquinone",NA,"C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Br)Br)O","ZSWDMPFPIQBBGF-UHFFFAOYSA-N",438700,NA,"PDBC12336","659288","Present",NA,NA
+"12337","2,3-Dibromoimidazo[1,2-c]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SDWIJRJJTZRXLT-UHFFFAOYSA-",NA,"C1=CC=C2C(=C1)C3=NC(=C(N3C=N2)Br)Br","SDWIJRJJTZRXLT-UHFFFAOYSA-N",371576,NA,"PDBC12337","645911","Present",NA,NA
+"12338","2,3-Dibromopropionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propionamide, 2,3-dibromo-",NA,"C(C(C(=O)N)Br)Br","DZQCMQRQFZXQKN-UHFFFAOYSA-N",85798,NA,"PDBC12338","144295","Present",NA,NA
+"12339","2,3-Dibromosuccinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC203337",NA,"C(C(C(=O)O)Br)(C(=O)O)Br","FJWGRXKOBIVTFA-UHFFFAOYSA-N",95324,NA,"PDBC12339","203337","Present",NA,NA
+"12340","2,3-Dichloro-1,3-bis(4-methylphenyl)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-1-one, 2,3-dichloro-1,3-bis(4-methylphenyl)-",NA,"CC1=CC=C(C=C1)C(C(C(=O)C2=CC=C(C=C2)C)Cl)Cl","VCSMFHVDNSKBFV-UHFFFAOYSA-N",244246,NA,"PDBC12340","54909","Present",NA,NA
+"12341","2,3-Dichloro-1,3-diphenylpropan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC24799",NA,"C1=CC=C(C=C1)C(C(C(=O)C2=CC=CC=C2)Cl)Cl","JKSKLBKKFIAHAE-UHFFFAOYSA-N",230205,NA,"PDBC12341","24799","Present",NA,NA
+"12342","2,3-Dichloro-4,6-di(propan-2-yl)phenol;3,6-dichloro-2,4-di(propan-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dichloro-4,6-di(propan-2-yl)phenol;3,6-dichloro-2,4-di(propan-2-yl)phenol",NA,"CC(C)C1=CC(=C(C(=C1O)Cl)Cl)C(C)C.CC(C)C1=CC(=C(C(=C1Cl)C(C)C)O)Cl","YWOKSYZIFZFOBT-UHFFFAOYSA-N",247339,NA,"PDBC12342","61772","Present",NA,NA
+"12343","2,3-Dichloro-4-((3-hydroxy-2-naphthoyl)hydrazono)-2-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dichloro-4-((3-hydroxy-2-naphthoyl)hydrazono)-2-butenoic acid",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC(=C(C(=O)O)Cl)Cl)O","XWFAWFZGTCKBSI-NXEYJXPOSA-N",9569937,NA,"PDBC12343","625817","Present",NA,NA
+"12344","2,3-Dichloro-4-((hydrazinocarbothioyl)hydrazono)-2-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,4E)-4-(aminocarbamothioylhydrazono)-2,3-dichloro-but-2-enoic acid",NA,"C(=NNC(=S)NN)C(=C(C(=O)O)Cl)Cl","VSPZJSXPAWDVPF-UZZALQNOSA-N",6065255,NA,"PDBC12344","634481","Present",NA,NA
+"12345","2,3-Dichloro-4-(2,6-diethylanilino)-4-oxo-2-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenoic acid, 2,3-dichloro-4-[(2,6-diethylphenyl) ami...",NA,"CCC1=C(C(=CC=C1)CC)NC(=O)C(=C(C(=O)O)Cl)Cl","JDSFJBVJTZVNIT-KHPPLWFESA-N",9948812,NA,"PDBC12345","618605","Present",NA,NA
+"12346","2,3-Dichloro-4-(3-chloro-2-methylanilino)-4-oxo-2-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dichloro-4-(3-chloro-2-methylanilino)-4-oxo-2-butenoic acid",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=C(C(=O)O)Cl)Cl","WVGBXGFPZAZJEF-CMDGGOBGSA-N",3003998,NA,"PDBC12346","622344","Present",NA,NA
+"12347","2,3-Dichloro-4-oxo-4-phenyl-2-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2,3-dichloro-4-oxo-4-phenyl-but-2-enoic acid",NA,"C1=CC=C(C=C1)C(=O)C(=C(C(=O)O)Cl)Cl","CYIYSHHZHWARAA-BQYQJAHWSA-N",3004216,NA,"PDBC12347","636377","Present",NA,NA
+"12348","2,3-Dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dichloro-5,6,7,8-tetrahydronaphthalene-1,4-diol",NA,"C1CCC2=C(C1)C(=C(C(=C2O)Cl)Cl)O","VLJRBJNOZLTGRU-UHFFFAOYSA-N",320303,NA,"PDBC12348","267319","Present",NA,NA
+"12349","2,3-Dichloro-5,8-dimethoxy-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL323102",NA,"COC1=C2C(=C(C=C1)OC)C(=O)C(=C(C2=O)Cl)Cl","DRGCWMGLVXZPIZ-UHFFFAOYSA-N",375895,NA,"PDBC12349","656208","Present",NA,NA
+"12350","2,3-Dichloro-5H-isoindolo[2,1-a]quinoxalin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-dichloroisoindolo[1,2-a]quinoxalin-4(5H)one",NA,"C1=CC2=CN3C4=CC(=C(C=C4NC(=O)C3=C2C=C1)Cl)Cl","XGYXOXWOFSQIGI-UHFFFAOYSA-N",24205093,NA,"PDBC12350","734238","Present",NA,NA
+"12351","2,3-Dichloro-6,11-dimethylbenzimidazolo[1,2-b]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dichloro-6,11-dimethylbenzimidazo[1,2-b]isoquinoline",NA,"CC1=C2C=CC=CC2=C(N3C1=NC4=CC(=C(C=C43)Cl)Cl)C","STTZONQMPVMBOV-UHFFFAOYSA-N",379116,NA,"PDBC12351","663330","Present",NA,NA
+"12352","2,3-Diethoxy-4-(2-methylallyl)-4-trimethylsilyloxy-cyclobut-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Diethoxy-4-(2-methylallyl)-4-trimethylsilyloxy-cyclobut-2-en-1-one",NA,"CCOC1=C(C(C1=O)(CC(=C)C)O[Si](C)(C)C)OCC","NPXKTDFAPVSBIK-UHFFFAOYSA-N",394536,NA,"PDBC12352","698081","Present",NA,NA
+"12353","2,3-Diethoxy-4-hydroxy-4-(2-methylallyl)cyclobut-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Diethoxy-4-hydroxy-4-(2-methylallyl)cyclobut-2-en-1-one",NA,"CCOC1=C(C(C1=O)(CC(=C)C)O)OCC","DQMLICZMJHGUNR-UHFFFAOYSA-N",394535,NA,"PDBC12353","698080","Present",NA,NA
+"12354","2,3-Diethoxy-8,9-dimethoxybenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Diethoxy-8,9-dimethoxybenzo[c]phenanthridine",NA,"CCOC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC)OC)OCC","HVAYLLRCKOVVQS-UHFFFAOYSA-N",371230,NA,"PDBC12354","645288","Present",NA,NA
+"12355","2,3-Diethyl-1-nitro-2-cyclopropene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Diethyl-1-nitrocycloprop-2-ene-1-carbonitrile",NA,"CCC1=C(C1(C#N)[N+](=O)[O-])CC","HTXHPVQMNZWKJS-UHFFFAOYSA-N",371609,NA,"PDBC12355","646001","Present",NA,NA
+"12356","2,3-Difluoro-4,7-methano-5,6-dihydrobenzo(b)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"difluoro[?]",NA,"C1CC2CC1C3=C2SC(=C3F)F","AZGCQKXBHQVHFX-UHFFFAOYSA-N",379830,NA,"PDBC12356","664961","Present",NA,NA
+"12357","2,3-Dihydro-(3R)-(2'-hydroxypropylthio)brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-(3R)-(2'-hydroxypropylthio)brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCC(C)O)O)O","JSZMATWNNJCEPE-OWERZMKTSA-N",10926821,NA,"PDBC12357","708231","Present",NA,NA
+"12358","2,3-Dihydro-(3R)-(3'-hydroxypropylthio)brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-(3R)-(3'-hydroxypropylthio)brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCCCO)O)O","OCLUEPVAZDCMEC-CQCRGSGBSA-N",11014175,NA,"PDBC12358","708230","Present",NA,NA
+"12359","2,3-Dihydro-(3R)-(4'-hydroxybutylthio)brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-(3R)-(4'-hydroxybutylthio)brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCCCCO)O)O","NZGUMCZAKJOCSW-CNOYATMTSA-N",24202600,NA,"PDBC12359","708471","Present",NA,NA
+"12360","2,3-Dihydro-(3R)-(4'-methoxybenzylthio)brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-(3R)-(4'-methoxybenzylthio)brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCC3=CC=C(C=C3)OC)O)O","ZRNAFRGYJDHEFT-DADGVEKRSA-N",10917077,NA,"PDBC12360","710071","Present",NA,NA
+"12361","2,3-Dihydro-(3R)-[2'-methylbenzoatethio]brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-(3R)-[2'-methylbenzoatethio]brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SC3=CC=CC=C3C(=O)OC)O)O","BTPZWKMKNMOYLO-RSJWERRTSA-N",11733052,NA,"PDBC12361","706713","Present",NA,NA
+"12362","2,3-Dihydro-(3R)-[2-(diethylphosphono)ethylseleno]brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-(3R)-[2-(diethylphosphono)ethylseleno]brefel...",NA,"CCOP(=O)(CC[Se]C1CC(=O)OC(CCCC=CC2CC(CC2C1O)O)C)OCC","SVODLVHGASURPP-UGIPEQGYSA-N",11016831,NA,"PDBC12362","704066","Present",NA,NA
+"12363","2,3-Dihydro-1,4-benzodioxin-2-ylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK975547",NA,"C1C(OC2=CC=CC=C2O1)CC#N","PWZFEIJALHLRKF-UHFFFAOYSA-N",267531,NA,"PDBC12363","106870","Present",NA,NA
+"12364","2,3-Dihydro-1,4-benzodioxin-2-ylmethyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-152630",NA,"C1C(OC2=CC=CC=C2O1)CSC#N","NIUTUCCPFPTZNP-UHFFFAOYSA-N",379213,NA,"PDBC12364","663627","Present",NA,NA
+"12365","2,3-Dihydro-1-oxo-3-thioxo-7-(methylthio)-5-amino-2-phenyl-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1-oxo-3-thioxo-7-(methylthio)-5-amino-2-phenyl-1H-pyrrolo[1,2-c]imidazole-6-carbonitrile",NA,"CSC1=C2C(=O)N(C(=S)N2C(=C1C#N)N)C3=CC=CC=C3","INOPZBLKHPBQJQ-UHFFFAOYSA-N",384284,NA,"PDBC12365","673842","Present",NA,NA
+"12366","2,3-Dihydro-1H-benzotriazole; trichlorogallane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1H-benzotriazole; trichlorogallane",NA,NA,NA,NA,NA,"PDBC12366","630050","Present",NA,NA
+"12367","2,3-Dihydro-1H-cyclopenta[b]quinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1H-cyclopenta[b]quinoline-5,8-dione",NA,"C1CC2=CC3=C(C(=O)C=CC3=O)N=C2C1","WNHAZUDVKNNWHG-UHFFFAOYSA-N",365559,NA,"PDBC12367","633320","Present",NA,NA
+"12368","2,3-Dihydro-1H-imidazo[1,2-b]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazoloimidazole",NA,"C1CN2C(=CC=N2)N1","KPMVHELZNRNSMN-UHFFFAOYSA-N",242471,NA,"PDBC12368","51143","Present",NA,NA
+"12369","2,3-Dihydro-1H-imidazo[1,5-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1H-imidazo[1,5-a]benzimidazole",NA,"C1C2=NC3=CC=CC=C3N2CN1","LLPGMVUUHGKXBJ-UHFFFAOYSA-N",395899,NA,"PDBC12369","700994","Present",NA,NA
+"12370","2,3-Dihydro-1H-imidazo[2',1':2,3]pyrimido[5,4-b][1,4]thiazin-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Thia-2,5,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5-trien-8-one",NA,"C1CSC2=C(N1)N3C=CN=C3NC2=O","ZBLFBKFFUTWTGR-UHFFFAOYSA-N",385099,NA,"PDBC12370","676034","Present",NA,NA
+"12371","2,3-Dihydro-1H-inden-5-ol;ethanol;6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one;titanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1H-inden-5-ol;ethanol;6-hydroxy-2,2-dimethyl-1,3-dioxin-4-one;titanium",NA,"CCO.CC1(OC(=CC(=O)O1)O)C.CC1(OC(=CC(=O)O1)O)C.C1CC2=C(C1)C=C(C=C2)O.[Ti]","CKABGUQVIIVSNN-UHFFFAOYSA-N",368303,NA,"PDBC12371","638849","Present",NA,NA
+"12372","2,3-Dihydro-1H-indol-3-yl(2-pyridinyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-1H-indol-3-yl(2-pyridinyl)methanol",NA,"C1C(C2=CC=CC=C2N1)C(C3=CC=CC=N3)O","AJRCAMUFWULHQV-UHFFFAOYSA-N",364133,NA,"PDBC12372","629804","Present",NA,NA
+"12373","2,3-Dihydro-2-(3-methoxyphenyl)-6-pyrrolizinoquinolin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinolinone, 2,3-dihydro-2-(3-methoxyphenyl)-6-(1-...",NA,"COC1=CC=CC(=C1)C2CC(=O)C3=C(N2)C=CC(=C3)N4CCCC4","UZLQYIIQUWXCBD-UHFFFAOYSA-N",395562,NA,"PDBC12373","700268","Present",NA,NA
+"12374","2,3-Dihydro-2-piperidino-5-(4-chlorophenyl)-4-(methylthio)-3-(4-nitrophenyl)thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(4-Chlorophenyl)-4-(methylsulfanyl)-3-(4-nitrophenyl)-2,3-dihydro-1,3-thiazol-2-yl]piperidine",NA,"CSC1=C(SC(N1C2=CC=C(C=C2)[N+](=O)[O-])N3CCCCC3)C4=CC=C(C=C4)Cl","CPYDMUGQZURODB-UHFFFAOYSA-N",382388,NA,"PDBC12374","669946","Present",NA,NA
+"12375","2,3-Dihydro-3(R)-[4'hydroxyphenylsulfinyl]brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-3(R)-[4'hydroxyphenylsulfinyl]brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)C3=CC=C(C=C3)O)O)O","CWDPXIRMHATEAZ-BOKOGIDUSA-N",9866928,NA,"PDBC12375","692303","Present",NA,NA
+"12376","2,3-Dihydro-3(R)-[S-(L)-cysteinyl-]-brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-3(R)-[S-(L)-cysteinyl-]-brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)SCC(C(=O)O)N)O)O","UTLVQKPJUSBZSP-UYPORCOCSA-N",24202569,NA,"PDBC12376","691433","Present",NA,NA
+"12377","2,3-Dihydro-3-(2-hydroxyphenyl)-6-chloro-7-methyl-1,4,2-benzodithiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-3-(2-hydroxyphenyl)-7-methyl-2,3-dihydro-1,4,2-...",NA,"CC1=CC2=C(C=C1Cl)SC(NS2(=O)=O)C3=CC=CC=C3O","WTXOLHNCRJWRKM-UHFFFAOYSA-N",405695,NA,"PDBC12377","723148","Present",NA,NA
+"12378","2,3-Dihydro-5H-[1,3]thiazolo[2,3-c][1,4]benzothiazepine-5,11(11aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3a-Dihydro-1H-[1,3]thiazolo[2,3-c][1,4]benzothiazepine-4,10-dione",NA,"C1CSC2N1C(=O)C3=CC=CC=C3SC2=O","JIKWDFHASJKQLV-UHFFFAOYSA-N",375392,NA,"PDBC12378","655064","Present",NA,NA
+"12379","2,3-Dihydro-6-(aziridin-1-yl)-7-methoxy-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Aziridin-1-yl)-7-methoxy-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione",NA,"COC1=C(C(=O)C2=C(C1=O)N3CCCC3=N2)N4CC4","GWZWHLZMISGGFG-UHFFFAOYSA-N",383842,NA,"PDBC12379","672472","Present",NA,NA
+"12380","2,3-Dihydro-7,9,11,11b-tetraaza-11bH-benzo[de]anthracene-8,10(1H,9H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5,8-Tetrazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,7,9,11,13(17)-pentaene-4,6-dione",NA,"C1CC2=C3C(=CC=C2)N=C4C(=O)NC(=O)N=C4N3C1","OQJAPRAMRPMGOB-UHFFFAOYSA-N",397202,NA,"PDBC12380","704611","Present",NA,NA
+"12381","2,3-Dihydro[1,4]thiazepino[3,2-c]quinolin-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro[1,4]thiazepino[3,2-c]quinolin-4(5H)-one",NA,"C1CSC2=C(C=NC3=CC=CC=C32)NC1=O","UOAWWYFXRUDIHW-UHFFFAOYSA-N",380505,NA,"PDBC12381","666120","Present",NA,NA
+"12382","2,3-Dihydroimidazo[1,2-f]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[1,2-f]phenanthridine, 2,3-dihydro-",NA,"C1CN2C3=CC=CC=C3C4=CC=CC=C4C2=N1","BOXYVDQJGZULRA-UHFFFAOYSA-N",285026,NA,"PDBC12382","141590","Present",NA,NA
+"12383","2,3-Dihydronimbolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-dihydronimbolide",NA,"CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(CCC5=O)C)C)CC(=O)OC)C","IVORRUXZODBSHC-VDNSKRJHSA-N",397876,NA,"PDBC12383","706728","Present",NA,NA
+"12384","2,3-Dihydrospiro[benzo[g]quinoline-4(1H),1'-[2,5]cyclohexadiene]-4',5,10-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2,3-dihydro-1H-benzo[g]quinoline-4,4'-cyclohexa-2,5-diene]-1',5,10-trione",NA,"C1CNC2=C(C13C=CC(=O)C=C3)C(=O)C4=CC=CC=C4C2=O","HTYZHZNPXZQWFM-UHFFFAOYSA-N",372977,NA,"PDBC12384","648765","Present",NA,NA
+"12385","2,3-Dihydrothiazolo[3',2':1,2]pyrimido[5,4-b]indol-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,9,10-Tetrahydrothiazolo[2,3:2',3']pyrimido[6,5-b}ind...",NA,"C1CSC2=NC3=C(C(=O)N21)NC4=CC=CC=C43","XYQBMRGFRLJNLH-UHFFFAOYSA-N",1508416,NA,"PDBC12385","734973","Present",NA,NA
+"12386","2,3-Dihydrothieno[3,2-d]thiopyrano[3,2-b]thiopyran-4(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,9-Bisthia-6-oxo-4,5,6,7,8,9-hexahydronaphtho[2,1-b] th...",NA,"C1CSC2=C(C1=O)SCC3=C2C=CS3","WUNITTBRRFZPKP-UHFFFAOYSA-N",360916,NA,"PDBC12386","623631","Present",NA,NA
+"12387","2,3-Dihydrotriazolo[4,5-d]pyrimidine-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Thiol-1H-v-triazolo[d]pyrimidine",NA,"C1=NC(=S)NC2=NNN=C21","JQLSOZRMETYVMM-UHFFFAOYSA-N",135440017,NA,"PDBC12387","675585","Present",NA,NA
+"12388","2,3-Dihydroxy-3-(3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-8,14,26,31-tetraoxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21(30),22,24(29),33-undecaen-10-yl)propanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydroxy-3-(3,4,5,11,17,18,19,22,23,34,35-undecahydroxy-8,14,26,31-tetraoxo-9,13,25,32-tetraoxaheptacyclo[25.8.0.02,7.015,20.021,30.024,29.028,33]pentatriaconta-1(35),2,4,6,15,17,19,21(30),22,24(",NA,"C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5C3C(=O)OC6=C5C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C6O)O)C(=O)O4)O)O)O)O)O)C(C(C=O)O)O)O","YQAXMIOJERFOAV-UHFFFAOYSA-N",54680442,NA,"PDBC12388","676824","Present",NA,NA
+"12389","2,3-Dihydroxy-N-[2-[(4-methylphenyl)sulfonyl-(1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)amino]ethyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydroxy-N-[2-[(4-methylphenyl)sulfonyl-(1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)amino]ethyl]benzamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CCNC(=O)C2=C(C(=CC=C2)O)O)C3=CC4=C5C(=C3)OC6=CC=CC7=C6C5(C8=C(O7)C=CC=C8O4)C","HLYGEERGAYZBBH-UHFFFAOYSA-N",393367,NA,"PDBC12389","695175","Present",NA,NA
+"12390","2,3-Dihydroxy-brefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-2,3-dihydroxy-brefeldin A",NA,"CC1CCCC=CC2CC(CC2C(C(C(C(=O)O1)O)O)O)O","ZACUXJNBMSDSMR-LQZAQQFOSA-N",10757635,NA,"PDBC12390","694610","Present",NA,NA
+"12391","2,3-Dihydroxypropyl dodecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lauricidin",NA,"CCCCCCCCCCCC(=O)OCC(CO)O","ARIWANIATODDMH-UHFFFAOYSA-N",14871,NA,"PDBC12391","698570","Present",NA,NA
+"12392","2,3-Dihydroxypropylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642926",NA,"C(C(C[As](=O)(O)O)O)O","APPBGVNZOXYIAD-UHFFFAOYSA-N",370185,NA,"PDBC12392","642926","Present",NA,NA
+"12393","2,3-Dihydroxysuccinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC57884",NA,"C(C(C(=O)NN)O)(C(=O)NN)O","MDJZGXRFYKPSIM-UHFFFAOYSA-N",245684,NA,"PDBC12393","57884","Present",NA,NA
+"12394","2,3-Dimethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine",NA,"COC1=C(C=C2C3CC4=CC=CC=C4CN3CCCC2=C1)OC","KGHCKEDSNXIEJR-UHFFFAOYSA-N",381012,NA,"PDBC12394","666996","Present",NA,NA
+"12395","2,3-Dimethoxy-5,6,8,13,14,14a-hexahydroisoquino[2,1-b][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-5,6,8,13,14,14a-hexahydroisoquino[2,1-b][2]benzazepine",NA,"COC1=C(C=C2C3CCC4=CC=CC=C4CN3CCC2=C1)OC","BOGOAVSISCSENG-UHFFFAOYSA-N",381011,NA,"PDBC12395","666995","Present",NA,NA
+"12396","2,3-Dimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine",NA,"COC1=C(C=C2C3C4=CC=CC=C4CCCN3CCC2=C1)OC","QOFWDJOANANGBO-UHFFFAOYSA-N",384196,NA,"PDBC12396","673602","Present",NA,NA
+"12397","2,3-Dimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-5,6-dihydroisoquinolino[3,2-a]isoquinolin-8-one",NA,"COC1=C(C=C2C(=C1)CCN3C2=CC4=CC=CC=C4C3=O)OC","DJFADVSFIUADMV-UHFFFAOYSA-N",392604,NA,"PDBC12397","693144","Present",NA,NA
+"12398","2,3-Dimethoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine",NA,"COC1=C(C=C2CN3CCC4=CC=CC=C4CC3CC2=C1)OC","MLGWFIZHHZKGGB-UHFFFAOYSA-N",390040,NA,"PDBC12398","686954","Present",NA,NA
+"12399","2,3-Dimethoxy-5,8,12,12a-tetrahydro-6H-thieno[2',3':4,5]pyrido[2,1-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-5,8,12,12a-tetrahydro-6H-thieno[2',3':4,5]pyrido[2,1-a]isoquinoline",NA,"COC1=C(C=C2C3CC4=C(CN3CCC2=C1)C=CS4)OC","KWTDXOQFFPKFDT-UHFFFAOYSA-N",362870,NA,"PDBC12399","627276","Present",NA,NA
+"12400","2,3-Dimethoxy-5,8,9,13b-tetrahydro-6H-isoquino[1,2-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-5,8,9,13b-tetrahydro-6H-isoquino[1,2-a]isoquinoline",NA,"COC1=C(C=C2C3C4=CC=CC=C4CCN3CCC2=C1)OC","ZAAPJIIHGVAKOE-UHFFFAOYSA-N",381010,NA,"PDBC12400","666994","Present",NA,NA
+"12401","2,3-Dimethoxy-5-[(E)-3,7,11,15-tetramethylhexadec-2-enyl]sulfanylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-[(3,7,11,1...",NA,"CC(C)CCCC(C)CCCC(C)CCCC(=CCSC1=CC(=O)C(=C(C1=O)OC)OC)C","VLFSNJNJZBREKT-HAVVHWLPSA-N",5476942,NA,"PDBC12401","276371","Present",NA,NA
+"12402","2,3-Dimethoxy-5-methyl-6-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-dimethoxy-5-methyl-6-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]cyclohexa-2,5-diene-1,4-dione",NA,"CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=C(N=C3N2C=CS3)C","HWJSAFHRHOIXGQ-UHFFFAOYSA-N",403959,NA,"PDBC12402","719725","Present",NA,NA
+"12403","2,3-Dimethoxy-5-naphthalen-2-ylsulfanylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-(2-naphthalenylthio)-",NA,"COC1=C(C(=O)C(=CC1=O)SC2=CC3=CC=CC=C3C=C2)OC","JYXVVHHLNIBPJM-UHFFFAOYSA-N",314728,NA,"PDBC12403","234214","Present",NA,NA
+"12404","2,3-Dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-5-octylsulfanylcyclohexa-2,5-diene-1,4-dione",NA,"CCCCCCCCSC1=CC(=O)C(=C(C1=O)OC)OC","HJWWFWFGMWCDJK-UHFFFAOYSA-N",315063,NA,"PDBC12404","237677","Present",NA,NA
+"12405","2,3-Dimethoxy-6,7-dihydroisoquino[3,2-a][2]benzazepin-9(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-6,7-dihydroisoquino[3,2-a][2]benzazepin-9(5H)-one",NA,"COC1=C(C=C2C(=C1)CCCN3C2=CC4=CC=CC=C4C3=O)OC","PWTVKJXKEFDTDP-UHFFFAOYSA-N",388887,NA,"PDBC12405","684112","Present",NA,NA
+"12406","2,3-Dimethoxy-6,8-bis(methylsulfanyl)benzo[7]annulene-1,4,7-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-6,8-bis(methylsulfanyl)-1H-benzo[7]annulene-1,4,7-trione",NA,"COC1=C(C(=O)C2=C(C1=O)C=C(C(=O)C(=C2)SC)SC)OC","SPLAJGDLMTVLAC-UHFFFAOYSA-N",375762,NA,"PDBC12406","655911","Present",NA,NA
+"12407","2,3-Dimethoxy-6,8-dimethyl-1H-benzo[a]cycloheptene-1,4,7-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-6,8-dimethyl-1H-benzo[a]cycloheptene-1,4,7-trione",NA,"CC1=CC2=C(C=C(C1=O)C)C(=O)C(=C(C2=O)OC)OC","JWKIIHAMODQGRC-UHFFFAOYSA-N",373411,NA,"PDBC12407","649666","Present",NA,NA
+"12408","2,3-Dimethoxy-6-((3,4,5-trimethoxyphenoxy)methyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-6-((3,4,5-trimethoxyphenoxy)methyl)quinoxaline",NA,"COC1=CC(=CC(=C1OC)OC)OCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","MZJGIUHOLRDUGO-UHFFFAOYSA-N",379032,NA,"PDBC12408","662794","Present",NA,NA
+"12409","2,3-Dimethoxy-6-[3-[(9H-fluorene-9-ylmethoxycarbonyl)amino]propyl]-8,9-methylenedioxy-11H-indeno[1,2-c]isoquinoline-5,11(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-5,6-dihydro-5,11-diketo-6-(9H-fluoren-9-yl...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)OC","HGIMQZBKEQOVBC-UHFFFAOYSA-N",11215802,NA,"PDBC12409","729352","Present",NA,NA
+"12410","2,3-Dimethoxy-6-methyl-8,9-(methylenedioxy)-11H-indeno(1,2-c)isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12H-[1,3]Dioxolo[5,6]indeno[1,2-c]isoquinolinium, 2,3-di...",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C3)OCO5)OC)OC.[Cl-]","BFZNOMQGLXPLSG-UHFFFAOYSA-M",3036292,NA,"PDBC12410","339330","Present",NA,NA
+"12411","2,3-Dimethoxy-6-oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indolo[3,2-d]benzazepin-6(5H)-one, 9-cyano-2,3-dimethoxy...",NA,"COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)C#N)OC","TUMYZJPVQGGVEN-UHFFFAOYSA-N",398465,NA,"PDBC12411","708244","Present",NA,NA
+"12412","2,3-Dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzothiazepine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzothiazepine-6,11-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)S2)OC","LGUQESPAGJTULI-UHFFFAOYSA-N",375390,NA,"PDBC12412","655062","Present",NA,NA
+"12413","2,3-Dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one;hydrochloride",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCCCC3=N2)OC.Cl","AXBFPSGCDUCBDX-UHFFFAOYSA-N",380990,NA,"PDBC12413","666868","Present",NA,NA
+"12414","2,3-Dimethoxy-8-nitroindolo[2,1-b]quinazoline-6,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-8-nitro-indolo[2,1-b]quinazoline-6,12-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)C3=N2)OC","GNQYOFKHSATVEQ-UHFFFAOYSA-N",396724,NA,"PDBC12414","703333","Present",NA,NA
+"12415","2,3-Dimethoxy-9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxy-7,12-dihydro-9-nitroindolo[3,2-d][1]benzazepine-6(5H)-one",NA,"COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)[N+](=O)[O-])OC","KYRQRRGDKAIFMA-UHFFFAOYSA-N",5331104,NA,"PDBC12415","709125","Present",NA,NA
+"12416","2,3-Dimethoxy-benzylidene)-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-dimethoxy-benzylidene-hydrazinocarbonylmethylsulfany...",NA,"COC1=CC=CC(=C1OC)C=NNC(=O)CSCC(=O)NN=CC2=C(C(=CC=C2)OC)OC","WTWHETSYJDQCBA-ASIDMNOUSA-N",9572683,NA,"PDBC12416","724292","Present",NA,NA
+"12417","2,3-Dimethoxybenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethoxybenzo[c]phenanthridine",NA,"COC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC=CC=C34)OC","HDKHMMXHQADIIP-UHFFFAOYSA-N",371246,NA,"PDBC12417","645303","Present",NA,NA
+"12418","2,3-Dimethyl-1,11-dihydro-4-thia-1,10,11-triaza-4H-cyclopent[b]anthracene 4,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13,14-Dimethyl-11lambda6-thia-2,15,17-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3,5,7,9,12(16),13-heptaene 11,11-dioxide",NA,"CC1=C(NC2=C1S(=O)(=O)C3=CC4=CC=CC=C4N=C3N2)C","SPXXCNSKYDAMLP-UHFFFAOYSA-N",396663,NA,"PDBC12418","703177","Present",NA,NA
+"12419","2,3-Dimethyl-1-oxo-1,2-dihydrobenzo[g]isoquinoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethyl-1-oxo-1,2-dihydrobenzo[g]isoquinoline-4-carboxylic acid",NA,"CC1=C(C2=CC3=CC=CC=C3C=C2C(=O)N1C)C(=O)O","FMBAFLDQVZEGLT-UHFFFAOYSA-N",378989,NA,"PDBC12419","662581","Present",NA,NA
+"12420","2,3-Dimethyl-11-oxo-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethyl-11-oxo-7,8,9,10-tetrahydro-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=C(C4=C(C3=O)CCCC4)C#N)N2","BJHFPDNBYNUTEB-UHFFFAOYSA-N",387845,NA,"PDBC12420","682005","Present",NA,NA
+"12421","2,3-Dimethyl-2-phenyl-1,3-oxazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NMOZPNPFZGQJDM-UHFFFAOYSA-N",NA,"CC1(N(CCO1)C)C2=CC=CC=C2","NMOZPNPFZGQJDM-UHFFFAOYSA-N",388442,NA,"PDBC12421","683368","Present",NA,NA
+"12422","2,3-Dimethyl-7,8,9,11-tetrahydropyrazino[2,3-a]carbazole-5,6,10-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethyl-7,8,9,11-tetrahydro-5h-pyrazino[2,3-a]carbazole-5,6,10-trione",NA,"CC1=C(N=C2C(=N1)C3=C(C4=C(N3)C(=O)CCC4)C(=O)C2=O)C","FFDLGUGEXACMRQ-UHFFFAOYSA-N",404058,NA,"PDBC12422","720176","Present",NA,NA
+"12423","2,3-Dimethyl-9-oxo-10H-acridine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethyl-9-oxo-10H-acridine-4-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)NC3=CC=CC=C3C2=O","DPTMTHVWLUALQO-UHFFFAOYSA-N",360069,NA,"PDBC12423","621867","Present",NA,NA
+"12424","2,3-Dimethyl-9-oxo-9,10-dihydroacridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethyl-9-oxo-9,10-dihydroacridine-4-carboxamide",NA,"CC1=CC2=C(C(=C1C)C(=O)N)NC3=CC=CC=C3C2=O","RIFMAZPBOJOHRT-UHFFFAOYSA-N",362317,NA,"PDBC12424","625953","Present",NA,NA
+"12425","2,3-Dimethyl-9-oxo-9H-fluorene-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethyl-9-oxo-9H-fluorene-4-carboxamide",NA,"CC1=CC2=C(C3=CC=CC=C3C2=O)C(=C1C)C(=O)N","ZXFUAFKHMWSLRO-UHFFFAOYSA-N",366999,NA,"PDBC12425","636327","Present",NA,NA
+"12426","2,3-Dimethyl-9-oxo-9H-xanthene-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethyl-9-oxo-9H-xanthene-4-carbonitrile",NA,"CC1=CC2=C(C(=C1C)C#N)OC3=CC=CC=C3C2=O","UKPXSGGCUAQRQY-UHFFFAOYSA-N",343576,NA,"PDBC12426","383451","Present",NA,NA
+"12427","2,3-Dimethylbenzo[g]quinoxaline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]quinoxaline-5,10-dione, 5,10-dihydro-2,3-dimethyl-",NA,"CC1=C(N=C2C(=N1)C(=O)C3=CC=CC=C3C2=O)C","QWAGSSCSLRFGSL-UHFFFAOYSA-N",353644,NA,"PDBC12427","602617","Present",NA,NA
+"12428","2,3-Dimethylisoindolo[2,1-a]quinoxaline-6(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-dimethylisoindolo[1,2-a]quinoxalin-4(5H)one",NA,"CC1=CC2=C(C=C1C)N3C=C4C=CC=CC4=C3C(=O)N2","JPAYJDICSQHMCX-UHFFFAOYSA-N",24205094,NA,"PDBC12428","734239","Present",NA,NA
+"12429","2,3-Dimethylpyrido[1,2-a]indole-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethylpyrido[1,2-a]indole-1,4-dione",NA,"CC1=C(C(=O)C2=C(C1=O)C=C3N2C=CC=C3)C","SSXDJMSSVBOSAF-UHFFFAOYSA-N",362141,NA,"PDBC12429","625727","Present",NA,NA
+"12430","2,3-Dimethylthieno[3,2-b]pyrrolizin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethylthieno[3,2-b]pyrrolizin-4-one",NA,"CC1=C(SC2=C1C(=O)C3=CC=CN32)C","QKWHUSBKSMUXHP-UHFFFAOYSA-N",388528,NA,"PDBC12430","683512","Present",NA,NA
+"12431","2,3-Dioctadecoxypropoxyphosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dioctadecoxypropoxyphosphinic acid",NA,"CCCCCCCCCCCCCCCCCCOCC(CO[P+](=O)O)OCCCCCCCCCCCCCCCCCC","LEAXCTDRBSUXSR-UHFFFAOYSA-O",6331558,NA,"PDBC12431","696393","Present",NA,NA
+"12432","2,3-Dioxoisoindolin-2-yl)-1,1'-bianthracene-9,9',10,10'-tetraone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-bis(1,3-dioxoisoindolin-2-yl)-1,1'-bianthracene-9,9...",NA,"C1=CC=C2C(=C1)C(=O)C(C2=O)C3=C(C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)C6=C(C=CC7=C6C(=O)C8=CC=CC=C8C7=O)C9C(=O)C1=CC=CC=C1C9=O","QQVJNTOBOBFOPW-UHFFFAOYSA-N",54598421,NA,"PDBC12432","115448","Present",NA,NA
+"12433","2,3-Dipalmitoyloxypropylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642928",NA,"CCCCCCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCCCCCC","LFCCZZUAXPODIY-UHFFFAOYSA-N",370187,NA,"PDBC12433","642928","Present",NA,NA
+"12434","2,3-Diphenyl-5,6-di(2-pyridinyl)-2,3-dihydropyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Diphenyl-5,6-di(2-pyridinyl)-2,3-dihydropyrazine",NA,"C1=CC=C(C=C1)C2C(N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4)C5=CC=CC=C5","VBKVCJUHCPUMME-UHFFFAOYSA-N",373513,NA,"PDBC12434","649914","Present",NA,NA
+"12435","2,3-Diphenyl-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Diphenyl-6,7-dihydro-5H-1,4-dithiepine 1,1,4,4-tetraoxide",NA,"C1CS(=O)(=O)C(=C(S(=O)(=O)C1)C2=CC=CC=C2)C3=CC=CC=C3","USAJZMJZKQJMGM-UHFFFAOYSA-N",369638,NA,"PDBC12435","641549","Present",NA,NA
+"12436","2,3-Diphenylbenzo[g]quinoxaline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DPBQ",NA,"C1=CC=C(C=C1)C2=C(N=C3C(=N2)C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5","BDDRJIAFKGWLMD-UHFFFAOYSA-N",364074,NA,"PDBC12436","629713","Present",NA,NA
+"12437","2,3-Diphenylcyclopropene-1-carbonyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Diphenylcyclopropene-1-carbonyl chloride",NA,"C1=CC=C(C=C1)C2C(=C2C(=O)Cl)C3=CC=CC=C3","FUOJKGRSPANJJC-UHFFFAOYSA-N",317461,NA,"PDBC12437","249265","Present",NA,NA
+"12438","2,3-Diphosphonobutanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Diphosphonobutanedioic acid",NA,"C(C(C(=O)O)P(=O)(O)O)(C(=O)O)P(=O)(O)O","SQCGCSDAPBUORZ-UHFFFAOYSA-N",384666,NA,"PDBC12438","674711","Present",NA,NA
+"12439","2,3-O-Isopropylidene-D-erythronolactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679577",NA,"CC1(OC2COC(=O)C2O1)C","WHPSMBYLYRPVGU-RFZPGFLSSA-N",386843,NA,"PDBC12439","679577","Present",NA,NA
+"12440","2,3-Pyrazinedicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazine-2,3-dicarboxylate",NA,"C1=CN=C(C(=N1)C(=O)O)C(=O)O","ZUCRGHABDDWQPY-UHFFFAOYSA-N",66628,NA,"PDBC12440","1908","Present",NA,NA
+"12441","2,3-Quinoxalinedicarbaldehyde bis(phenylhydrazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[3-[(E)-(Phenylhydrazinylidene)methyl]quinoxalin-2-yl]methylideneamino]aniline",NA,"C1=CC=C(C=C1)NN=CC2=NC3=CC=CC=C3N=C2C=NNC4=CC=CC=C4","MCSPCEPPVACSOR-DFEHQXHXSA-N",9555817,NA,"PDBC12441","633390","Present",NA,NA
+"12442","2,3-dihydro-2-(3'-benzyloxyphenyl)-4-quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-dihydro-2-(3'-benzyloxyphenyl)-4-quinazoline",NA,"C1=CC=C(C=C1)COC2=CC=CC(=C2)C3NC4=CC=CC=C4C(=O)N3","UFQXXOKTNXKMSO-UHFFFAOYSA-N",300572,NA,"PDBC12442","175635","Present",NA,NA
+"12443","2,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-4,4-dimethyl-3,5-dioxo-2-furanyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-4,4-d...",NA,"CC1(C(=O)C(OC1=O)N2C=C(C(=O)NC2=O)F)C","KAFJQYZHZNWMIY-UHFFFAOYSA-N",334368,NA,"PDBC12443","339322","Present",NA,NA
+"12444","2,3H)Pyrimido dimethyltetrathiafulvalene,tetrabutylammonium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dioxo(1H,3H)pyrimido dimethyltetrathiafulvalene,tetr...",NA,"CCCC[N+](CCCC)(CCCC)CCCC.CC1=C(SC(=C2SC3=C(S2)N=C(NC3=O)[O-])S1)C","AGYNEWFBXMLYFX-UHFFFAOYSA-M",15190630,NA,"PDBC12444","658467","Present",NA,NA
+"12445","2,4',8-Trimethylspiro[2,3,4,5,7,8,9,10-octahydro-1H-phenanthridine-6,1'-cyclohexane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4',8-Trimethylspiro[2,3,4,5,7,8,9,10-octahydro-1H-phenanthridine-6,1'-cyclohexane]",NA,"CC1CCC2(CC1)C3=C(CCC(C3)C)C4=C(N2)CCC(C4)C","UJUOMEWFAWLGNM-UHFFFAOYSA-N",379435,NA,"PDBC12445","663981","Present",NA,NA
+"12446","2,4'-(Ethene-1,2-diyl)bis(3-sulfo-4,1-phenylene))bis(2H-naphtho[2,3-d][1,2,3]triazole-6-sulfonic acid), tetra sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-(4,4'-(ethene-1,2-diyl)bis(3-sulfo-4,1-phenylene))b...",NA,"C1=CC(=CC2=CC3=NN(N=C3C=C21)C4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)N6N=C7C=C8C=CC(=CC8=CC7=N6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","VWFVUNFVNBXVLQ-TYYBGVCCSA-N",54607568,NA,"PDBC12446","306455","Present",NA,NA
+"12447","2,4'-Diyl)bis(6-chloroquinoline-4-carboxylic acid), potassium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-(biphenyl-4,4'-diyl)bis(6-chloroquinoline-4-carboxy...",NA,"C1=CC(=CC=C1C2=CC=C(C=C2)C3=NC4=C(C=C(C=C4)Cl)C(=C3)C(=O)O)C5=NC6=C(C=C(C=C6)Cl)C(=C5)C(=O)O.[K+]","AKPLBHJIGPTIPL-UHFFFAOYSA-N",54612327,NA,"PDBC12447","210627","Present",NA,NA
+"12448","2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-6,7-bis[(4-methylphenyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pteridinedione, 1,3-dimethyl-6,7-bis[(4-methylphenyl)amino]-",NA,"CC1=CC=C(C=C1)NC2=NC3=C(N=C2NC4=CC=C(C=C4)C)N(C(=O)N(C3=O)C)C","LEHMIKFHPANMQX-UHFFFAOYSA-N",383314,NA,"PDBC12448","671427","Present",NA,NA
+"12449","2,4(1H,3H)-Pyrimidinedione, 1-[(4aS,6R,7aR)-2-(chloromethyl)hexahydro-1-hydroxy-2H-furo[3,2-d][1,3]oxazin-6-yl]-5-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4As,6R,7aR)-2-(chloromethyl)-1-hydroxy-2,4,4a,6,7,7a-hexahydrofuro[3,2-d][1,3]oxazin-6-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC3C(O2)COC(N3O)CCl","VRJKMOCUAGPFBC-PBVVMKELSA-N",393260,NA,"PDBC12449","694910","Present",NA,NA
+"12450","2,4(1H,3H)-Pyrimidinedione, 1-pentofuranosyl-5-(phenylmethoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyloxy-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",NA,"C1=CC=C(C=C1)COC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","ACWJNEMMZVDODA-UHFFFAOYSA-N",370563,NA,"PDBC12450","643789","Present",NA,NA
+"12451","2,4(1H,3H)-Pyrimidinedione, 5-[(2-hydroxyethoxy)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pyrimidinedione, 5-[(2-hydroxyethoxy)methyl]-",NA,"C1=C(C(=O)NC(=O)N1)COCCO","IKCYGDIJFXSKLO-UHFFFAOYSA-N",373125,NA,"PDBC12451","649067","Present",NA,NA
+"12452","2,4(1H,3H)-Pyrimidinedione, 5-amino-1-(5,6-dideoxy-6,6,6-triphenylhexofuranosyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-[3,4-dihydroxy-5-(2,2,2-triphenylethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",NA,"C1=CC=C(C=C1)C(CC2C(C(C(O2)N3C=C(C(=O)NC3=O)N)O)O)(C4=CC=CC=C4)C5=CC=CC=C5","SGOLVNKRZIXHOS-UHFFFAOYSA-N",370561,NA,"PDBC12452","643787","Present",NA,NA
+"12453","2,4(1H,3H)-Pyrimidinedione, 5-iodo-1-(2,3,4,6-tetra-O-acetylhexopyranosyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetoxy-6-(5-iodo-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)I)OC(=O)C)OC(=O)C)OC(=O)C","UDGXUCXYLABAHY-UHFFFAOYSA-N",373958,NA,"PDBC12453","650990","Present",NA,NA
+"12454","2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pyrimidinedione, 6-[(3,5-dimethylphenyl)amino]-",NA,"CC1=CC(=CC(=C1)NC2=CC(=O)NC(=O)N2)C","SAERFYPCWUUCPT-UHFFFAOYSA-N",385853,NA,"PDBC12454","677252","Present",NA,NA
+"12455","2,4(1H,3H)-Pyrimidinedione, 6-[(4-methoxyphenyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pyrimidinedione, 6-[(4-methoxyphenyl)amino]-",NA,"COC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2","KNFIZFJIHAXZLE-UHFFFAOYSA-N",385855,NA,"PDBC12455","677254","Present",NA,NA
+"12456","2,4(1H,3H)-Pyrimidinedione, 6-azido-5-chloro-1-(2-deoxypentofuranosyl)dihydro-5-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Azido-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione",NA,"CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-])Cl","HZBYASIGWIEKSG-UHFFFAOYSA-N",371926,NA,"PDBC12456","646577","Present",NA,NA
+"12457","2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3,6,7-trimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3,6,7-trimethyl-",NA,"CC1=C(N(C2=NC(=O)N(C(=O)C2=N1)C)C3=CC=C(C=C3)Cl)C","IHZBLIJQWKCKPC-UHFFFAOYSA-N",363249,NA,"PDBC12457","627995","Present",NA,NA
+"12458","2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3-methyl-6,7-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(3H,8H)-Pteridinedione, 8-(4-chlorophenyl)-3-methyl-6,7-diphenyl-",NA,"CN1C(=O)C2=NC(=C(N(C2=NC1=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5","LZWQPVILMDOTME-UHFFFAOYSA-N",363250,NA,"PDBC12458","627996","Present",NA,NA
+"12459","2,4,4-Trimethyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,4-Trimethyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide",NA,"CC1(C(=O)N(S(=O)(=O)N1)C)C","HVMZMEQTMYSKPS-UHFFFAOYSA-N",363957,NA,"PDBC12459","629494","Present",NA,NA
+"12460","2,4,4-Trimethyl-3H-pyrimido[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,4-Trimethyl-3H-pyrimido[1,2-a]benzimidazole",NA,"CC1=NC2=NC3=CC=CC=C3N2C(C1)(C)C","KBQJJTHWGPYOTC-UHFFFAOYSA-N",388459,NA,"PDBC12460","683389","Present",NA,NA
+"12461","2,4,5,6-Tetrachloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"perchloropyrimidine",NA,"C1(=C(N=C(N=C1Cl)Cl)Cl)Cl","GVBHCMNXRKOJRH-UHFFFAOYSA-N",15690,NA,"PDBC12461","35123","Present",NA,NA
+"12462","2,4,5,8,9,11-Hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,7,12,14-pentaene-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5,8,9,11-Hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,7,12,14-pentaene-3,10-dione",NA,"C1=CC=C2C(=C1)N3C(=NNC3=O)C4=NNC(=O)N24","SZGVKAPJSILWKH-UHFFFAOYSA-N",6399337,NA,"PDBC12462","643708","Present",NA,NA
+"12463","2,4,5-Imidazolidinetrione, 1-(4-methoxy-1-naphthalenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Imidazolidinetrione, 1-(4-methoxy-1-naphthalenyl)-3-methyl-",NA,"CN1C(=O)C(=O)N(C1=O)C2=CC=C(C3=CC=CC=C32)OC","UZNYSVRVYYXCIO-UHFFFAOYSA-N",379230,NA,"PDBC12463","663645","Present",NA,NA
+"12464","2,4,5-Imidazolidinetrione, 1-[(4-methoxy-1-naphthalenyl)methyl]-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Imidazolidinetrione, 1-[(4-methoxy-1-naphthalenyl)methyl]-3-methyl-",NA,"CN1C(=O)C(=O)N(C1=O)CC2=CC=C(C3=CC=CC=C23)OC","QVTVYOLBUKXRDQ-UHFFFAOYSA-N",379231,NA,"PDBC12464","663646","Present",NA,NA
+"12465","2,4,5-Imidazolidinetrione, 1-[2-(diethylamino)ethyl]-3-(1-naphthalenyl)-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Imidazolidinetrione, 1-[2-(diethylamino)ethyl]-3-(1-naphthalenyl)-, monohydrochloride",NA,"CCN(CC)CCN1C(=O)C(=O)N(C1=O)C2=CC=CC3=CC=CC=C32.Cl","CXQCZBXWPFKHHE-UHFFFAOYSA-N",379232,NA,"PDBC12465","663647","Present",NA,NA
+"12466","2,4,5-Pyrimidinetriamine, N5-(3-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Pyrimidinetriamine, N5-(3-methylphenyl)-",NA,"CC1=CC(=CC=C1)NC2=CN=C(N=C2N)N","AVFIBIOBEPPHEO-UHFFFAOYSA-N",259228,NA,"PDBC12466","88958","Present",NA,NA
+"12467","2,4,5-Triamino-6-methylene-chromeno[2,3-b][1,8]naphthyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Triamino-6-methylene-chromeno[2,3-b][1,8]naphthyridine-3-carbonitrile",NA,"C=C1C2=CC=CC=C2OC3=C1C(=N)C4=C(C(=C(NC4=N3)N)C#N)N","ZTRIFJNWXISFBS-UHFFFAOYSA-N",389419,NA,"PDBC12467","685501","Present",NA,NA
+"12468","2,4,5-Trichloro-6-ethylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2,4,5-trichloro-6-ethyl-",NA,"CCC1=C(C(=NC(=N1)Cl)Cl)Cl","PAMHFOVFWWAYCK-UHFFFAOYSA-N",246015,NA,"PDBC12468","58573","Present",NA,NA
+"12469","2,4,5-Trichloro-6-heptadecylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Trichloro-6-heptadecylpyrimidine",NA,"CCCCCCCCCCCCCCCCCC1=C(C(=NC(=N1)Cl)Cl)Cl","RPACGXAKBLMJFX-UHFFFAOYSA-N",246018,NA,"PDBC12469","58576","Present",NA,NA
+"12470","2,4,5-Trichloro-6-methoxypyrimidine;4,5,6-trichloro-2-methoxypyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Trichloro-6-methoxypyrimidine;4,5,6-trichloro-2-methoxypyrimidine",NA,"COC1=C(C(=NC(=N1)Cl)Cl)Cl.COC1=NC(=C(C(=N1)Cl)Cl)Cl","KNUOTVCVWRPDIZ-UHFFFAOYSA-N",313216,NA,"PDBC12470","226798","Present",NA,NA
+"12471","2,4,5-Trichloro-6-phenylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Trichloro-6-phenylpyrimidine",NA,"C1=CC=C(C=C1)C2=C(C(=NC(=N2)Cl)Cl)Cl","SWSUERHELGJKRQ-UHFFFAOYSA-N",243422,NA,"PDBC12471","53184","Present",NA,NA
+"12472","2,4,5-Trichloro-6-propylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2,4,5-trichloro-6-propyl-",NA,"CCCC1=C(C(=NC(=N1)Cl)Cl)Cl","CTWZDJNHFGLAMG-UHFFFAOYSA-N",246016,NA,"PDBC12472","58574","Present",NA,NA
+"12473","2,4,5-Trichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-trichloropyrimidine",NA,"C1=C(C(=NC(=N1)Cl)Cl)Cl","GIKMWFAAEIACRF-UHFFFAOYSA-N",237259,NA,"PDBC12473","40593","Present",NA,NA
+"12474","2,4,5-Trimethoxyphenyl)-1-(2-naphtyl)-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-(2-naphtyl)-1-d...",NA,"CC1(OCC(O1)C2C3C(C(=C(C4=CC5=CC=CC=C5C=C4)C6=CC(=C(C(=C6)OC)OC)OC)O2)OC(O3)(C)C)C","IQQFQJCQWFEBBU-BBYVIBLPSA-N",54613227,NA,"PDBC12474","750870","Present",NA,NA
+"12475","2,4,5-Trimethoxyphenyl)-1-(3,4-methylenedioxyphenyl)1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-(3,4-methylened...",NA,"CC1(OCC(O1)C2C3C(C(=C(C4=CC5=C(C=C4)OCO5)C6=CC(=C(C(=C6)OC)OC)OC)O2)OC(O3)(C)C)C","ZJMQFMTXSDLMHH-ZXUXXAPZSA-N",54613158,NA,"PDBC12475","750864","Present",NA,NA
+"12476","2,4,5-Trimethoxyphenyl)-1-(3-hydroxy-4-methoxyphenyl)-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-(3-hydroxy-4-me...",NA,"CC1(OCC(O1)C2C3C(C(=C(C4=CC(=C(C=C4)OC)O)C5=CC(=C(C(=C5)OC)OC)OC)O2)OC(O3)(C)C)C","HVBSSJMEZFQFCH-PAXDZCIKSA-N",54576091,NA,"PDBC12476","750873","Present",NA,NA
+"12477","2,4,5-Trioxo-1-phenyl-3-pyrrolidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Trioxo-1-phenyl-3-pyrrolidinecarbonitrile",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=O)C2=O)C#N","AWNPEBBWQUHZTG-UHFFFAOYSA-N",364519,NA,"PDBC12477","630905","Present",NA,NA
+"12478","2,4,5-Trioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Trioxo-N,1-bis(2-phenylethyl)pyrrolidine-3-carboxamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2C(=O)C(=O)N(C2=O)CCC3=CC=CC=C3","UIEXAKTXJJHLDN-UHFFFAOYSA-N",359716,NA,"PDBC12478","621161","Present",NA,NA
+"12479","2,4,5-Trioxo-N,1-bis(4-sulfamoylphenyl)pyrrolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Trioxo-N,1-bis(4-sulfamoylphenyl)pyrrolidine-3-carboxamide",NA,"C1=CC(=CC=C1NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)N)S(=O)(=O)N","ZRNXDSBSBJTNSF-UHFFFAOYSA-N",361065,NA,"PDBC12479","623869","Present",NA,NA
+"12480","2,4,5-Trioxo-N,1-dipropyl-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Trioxo-N,1-dipropyl-3-pyrrolidinecarboxamide",NA,"CCCNC(=O)C1C(=O)C(=O)N(C1=O)CCC","NWYOLUMQKBFDPK-UHFFFAOYSA-N",361088,NA,"PDBC12480","623893","Present",NA,NA
+"12481","2,4,5-Trioxopyrrolidine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Trioxopyrrolidine-3-carbonitrile",NA,"C(#N)C1C(=O)C(=O)NC1=O","LVRKCOPQBDVQBD-UHFFFAOYSA-N",364525,NA,"PDBC12481","630911","Present",NA,NA
+"12482","2,4,5-Triphenylimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lophin",NA,"C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","RNIPJYFZGXJSDD-UHFFFAOYSA-N",10232,NA,"PDBC12482","62790","Present",NA,NA
+"12483","2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(2-hydroxyethyl)-5-phenyl-",NA,"C1=CC=C(C=C1)C2(C(=O)NC(=O)NC2=O)CCO","MBKHGECZFQWLRD-UHFFFAOYSA-N",358198,NA,"PDBC12483","618076","Present",NA,NA
+"12484","2,4,6,6-Tetrakis(4-fluorophenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6,6-Tetrakis(4-fluorophenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene-2,4-diamine",NA,"C1=CC(=CC=C1OP2(=NP(=NP(=N2)(OC3=CC=C(C=C3)F)OC4=CC=C(C=C4)F)(N)OC5=CC=C(C=C5)F)N)F","BBPAEUOMBQPCPL-UHFFFAOYSA-N",343057,NA,"PDBC12484","381810","Present",NA,NA
+"12485","2,4,6,7,9,11-Hexamethoxy-1,12-dipropylperylene-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6,7,9,11-Hexamethoxy-1,12-dipropyl-perylene-3,10-dione",NA,"CCCC1=C(C(=O)C2=C(C=C(C3=C4C(=CC(=C5C4=C(C1=C32)C(=C(C5=O)OC)CCC)OC)OC)OC)OC)OC","OWCQUVMIMDXEAR-UHFFFAOYSA-N",390876,NA,"PDBC12485","688979","Present",NA,NA
+"12486","2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6,8,10,12-Hexazatricyclo[7.3.0.03,7]dodecane-5,11-dione;hydrochloride",NA,"C12C(NC3C(N1)NC(=O)N3)NC(=O)N2.Cl","FDWRBMDCCMJLAB-UHFFFAOYSA-N",389852,NA,"PDBC12486","686484","Present",NA,NA
+"12487","2,4,6,8-Decatetraenedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6,8-Decatetraenedioic acid",NA,"C(=CC=CC(=O)O)C=CC=CC(=O)O","QHYKVJVPIJCRRT-LPZPKAQPSA-N",5355472,NA,"PDBC12487","37491","Present",NA,NA
+"12488","2,4,6,8-Decatetraenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6,8-Decatetraenoic acid",NA,"CC=CC=CC=CC=CC(=O)O","XJMGDZBZBKBSLJ-GAXCVXDLSA-N",5702796,NA,"PDBC12488","88147","Present",NA,NA
+"12489","2,4,6-Cycloheptatrien-1-one, 2-[(tributylstannyl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Cycloheptatrien-1-one, 2-[(tributylstannyl)oxy]-",NA,NA,NA,NA,NA,"PDBC12489","644907","Present",NA,NA
+"12490","2,4,6-Cycloheptatrien-1-one, 2-[(tricyclohexylstannyl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Cycloheptatrien-1-one, 2-[(tricyclohexylstannyl)oxy]-",NA,NA,NA,NA,NA,"PDBC12490","644926","Present",NA,NA
+"12491","2,4,6-Cycloheptatrien-1-one, 2-[(triphenylgermyl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Cycloheptatrien-1-one, 2-[(triphenylgermyl)oxy]-",NA,NA,NA,NA,NA,"PDBC12491","644928","Present",NA,NA
+"12492","2,4,6-Cycloheptatrien-1-one, 2-[(triphenylstannyl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Cycloheptatrien-1-one, 2-[(triphenylstannyl)oxy]-",NA,NA,NA,NA,NA,"PDBC12492","644918","Present",NA,NA
+"12493","2,4,6-Pyrimidinetriamine, 5-(4-phenylbutyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6LJ97GCD83",NA,"C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)N","XDVRXWVIQZDMRG-UHFFFAOYSA-N",259669,NA,"PDBC12493","89818","Present",NA,NA
+"12494","2,4,6-Pyrimidinetriamine, N4-(4-bromophenyl)-N6-butyl-5-nitroso-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2-amino-4-p-bromoanilino-6-butylamino-5-nitr...",NA,"CCCCNC1=C(C(=NC(=N1)N)NC2=CC=C(C=C2)Br)N=O","BNBNSXQIJSURCF-UHFFFAOYSA-N",250942,NA,"PDBC12494","70958","Present",NA,NA
+"12495","2,4,6-Trichloro-3,5-dimethylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-xylenol, 2,4,6-trichloro- (8ci)",NA,"CC1=C(C(=C(C(=C1Cl)O)Cl)C)Cl","ZNEWEUWJXXZLAD-UHFFFAOYSA-N",81443,NA,"PDBC12495","61998","Present",NA,NA
+"12496","2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Trichloro-5-(3-methylbutyl)pyrimidine",NA,"CC(C)CCC1=C(N=C(N=C1Cl)Cl)Cl","YLMRYOCDUSEBFI-UHFFFAOYSA-N",260784,NA,"PDBC12496","92498","Present",NA,NA
+"12497","2,4,6-Trichloro-5-(pentan-2-yl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Trichloro-5-(pentan-2-yl)pyrimidine",NA,"CCCC(C)C1=C(N=C(N=C1Cl)Cl)Cl","TWQMDUZDMLZWNR-UHFFFAOYSA-N",260785,NA,"PDBC12497","92499","Present",NA,NA
+"12498","2,4,6-Trichloro-5-ethylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2,4,6-trichloro-5-ethyl-",NA,"CCC1=C(N=C(N=C1Cl)Cl)Cl","KMPDRUUXTSYMJD-UHFFFAOYSA-N",249455,NA,"PDBC12498","67799","Present",NA,NA
+"12499","2,4,6-Trichloro-5-heptylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2,4,6-trichloro-5-heptyl-",NA,"CCCCCCCC1=C(N=C(N=C1Cl)Cl)Cl","NIOGDGYWVRUKRP-UHFFFAOYSA-N",260791,NA,"PDBC12499","92506","Present",NA,NA
+"12500","2,4,6-Trichloro-5-methylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-trichloro-5-methylpyrimidine",NA,"CC1=C(N=C(N=C1Cl)Cl)Cl","VTSWSQGDJQFXHB-UHFFFAOYSA-N",232789,NA,"PDBC12500","30722","Present",NA,NA
+"12501","2,4,6-Trichloro-5-nonylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000294",NA,"CCCCCCCCCC1=C(N=C(N=C1Cl)Cl)Cl","KVTJZGNCSHIZHR-UHFFFAOYSA-N",260795,NA,"PDBC12501","92510","Present",NA,NA
+"12502","2,4,6-Trichloro-5-phenylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2,4,6-trichloro-5-phenyl-",NA,"C1=CC=C(C=C1)C2=C(N=C(N=C2Cl)Cl)Cl","YMCHZJBZJNKSHU-UHFFFAOYSA-N",249013,NA,"PDBC12502","66915","Present",NA,NA
+"12503","2,4,6-Trichloro-5-propylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2,4,6-trichloro-5-propyl-",NA,"CCCC1=C(N=C(N=C1Cl)Cl)Cl","DXTBIYCCTAVSID-UHFFFAOYSA-N",249012,NA,"PDBC12503","66914","Present",NA,NA
+"12504","2,4,6-Trichloro-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(2,4,6-trichlorobenzoyl)carbamothioyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Trichloro-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(2,4,6-trichlorobenzoyl)carbamothioyl]benzamide",NA,"C1=CC(=CN=C1)CN(C(=O)C2=C(C=C(C=C2Cl)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=C(C=C(C=C4Cl)Cl)Cl","ZJQVEUBCNCAMOO-UHFFFAOYSA-N",401373,NA,"PDBC12504","714685","Present",NA,NA
+"12505","2,4,6-Tricyano-N,N-diisopropyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Tricyano-N,N-diisopropyl-1-cubanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25C#N)C#N)C#N","KAKSBSXQVDCOTR-UHFFFAOYSA-N",369205,NA,"PDBC12505","640911","Present",NA,NA
+"12506","2,4,6-Triisopropyl-N'-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Triisopropyl-N'-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)benzenesulfonohydrazide",NA,"CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NN=C2CC3CCC2(C3(C)C)C)C(C)C","YKFIGPHOAFYJHB-XTCLZLMSSA-N",5910589,NA,"PDBC12506","683839","Present",NA,NA
+"12507","2,4,6-Triisopropylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TPSH",NA,"CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)NN)C(C)C","UGRVYFQFDZRNMQ-UHFFFAOYSA-N",359333,NA,"PDBC12507","620119","Present",NA,NA
+"12508","2,4,6-Triisopropylbenzenesulfonyl azide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trisyl azide",NA,"CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)N=[N+]=[N-])C(C)C","AEMWUHCKKDPRSK-UHFFFAOYSA-N",371707,NA,"PDBC12508","646156","Present",NA,NA
+"12509","2,4,6-Trimethoxy-3-methylbenzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Trimethoxy-3-methylbenzonitrile",NA,"CC1=C(C(=C(C=C1OC)OC)C#N)OC","JQIZOIBAGFZPRW-UHFFFAOYSA-N",362552,NA,"PDBC12509","626627","Present",NA,NA
+"12510","2,4,6-Trimethyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6-Trimethyl-oxazolo(5,4-d)pyrimidin-2,4(1H,3H)-dion",NA,"CC1=NC2=C(O1)N(C(=O)N(C2=O)C)C","SGESXWXBGMJMKN-UHFFFAOYSA-N",387466,NA,"PDBC12510","681270","Present",NA,NA
+"12511","2,4,6-Trinitrobenzoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: wnr bvg cnw enw",NA,"C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)Cl)[N+](=O)[O-])[N+](=O)[O-]","MWGGWCCALVNFPN-UHFFFAOYSA-N",24126,NA,"PDBC12511","408026","Present",NA,NA
+"12512","2,4,6-Trioxohexahydro-5-pyrimidinyl diethyldithiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-406/40544269",NA,"CCN(CC)C(=S)SC1C(=O)NC(=O)NC1=O","ZMIXTWOFJGXDND-UHFFFAOYSA-N",385010,NA,"PDBC12512","675863","Present",NA,NA
+"12513","2,4,6-Triphenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6-Triphenyl-oxazolo(5,4-d)pyrimidin-2',4(1H,3H)-dion",NA,"C1=CC=C(C=C1)C2=NC3=C(O2)N(C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","QEGGWTVFHIIHKY-UHFFFAOYSA-N",387467,NA,"PDBC12513","681271","Present",NA,NA
+"12514","2,4,6-Tris(2-pyridyl)-s-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tptz (iron reagent)",NA,"C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4","KMVWNDHKTPHDMT-UHFFFAOYSA-N",77258,NA,"PDBC12514","112125","Present",NA,NA
+"12515","2,4,6-Tris(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Tris(3,5-dimethylpyrazol-1-yl)-1,3,5-triazine",NA,"CC1=CC(=NN1C2=NC(=NC(=N2)N3C(=CC(=N3)C)C)N4C(=CC(=N4)C)C)C","DGBHCVCPUCYWEM-UHFFFAOYSA-N",382077,NA,"PDBC12515","669396","Present",NA,NA
+"12516","2,4,6-Tris(methoxy(methyl)amino)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Tris(methoxy(methyl)amino)-1,3,5-triazine",NA,"CN(C1=NC(=NC(=N1)N(C)OC)N(C)OC)OC","FOHUWLBGTPKBRH-UHFFFAOYSA-N",379202,NA,"PDBC12516","663614","Present",NA,NA
+"12517","2,4,6-Tris(phenylsulfanyl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Tris(phenylsulfanyl)-1,3,5-triazine",NA,"C1=CC=C(C=C1)SC2=NC(=NC(=N2)SC3=CC=CC=C3)SC4=CC=CC=C4","KHXOAKYTMQGYHW-UHFFFAOYSA-N",35592,NA,"PDBC12517","669394","Present",NA,NA
+"12518","2,4,6-Tris(pyridin-4-ylsulfanyl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Tris(pyridin-4-ylsulfanyl)-1,3,5-triazine",NA,"C1=CN=CC=C1SC2=NC(=NC(=N2)SC3=CC=NC=C3)SC4=CC=NC=C4","LGKPUEBCFJRWDH-UHFFFAOYSA-N",382076,NA,"PDBC12518","669395","Present",NA,NA
+"12519","2,4,6-Tris[(1-oxidopyridin-1-ium-2-yl)sulfanyl]-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Tris[(1-oxidopyridin-1-ium-2-yl)sulfanyl]-1,3,5-triazine",NA,"C1=CC=[N+](C(=C1)SC2=NC(=NC(=N2)SC3=CC=CC=[N+]3[O-])SC4=CC=CC=[N+]4[O-])[O-]","XRKVBUSAGFBTQO-UHFFFAOYSA-N",6712326,NA,"PDBC12519","669393","Present",NA,NA
+"12520","2,4,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,7,8,9-Hexamethoxy-11H-indeno[1,2-c]isoquinoline Hy...",NA,"COC1=C(C(=C2C(=C1)CC3=C2N=CC4=CC(=C(C(=C34)OC)OC)OC)OC)OC.Cl","ONQZENUQYXYUJM-UHFFFAOYSA-N",11373887,NA,"PDBC12520","730924","Present",NA,NA
+"12521","2,4,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hydrychloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,7,8-Pentamethoxy-11H-indeno[1,2-c]isoquinoline Hyd...",NA,"COC1=C(C=C2C(=C1)CC3=C2N=CC4=CC(=C(C(=C34)OC)OC)OC)OC.Cl","UZELIUHSVHMTDC-UHFFFAOYSA-N",11246677,NA,"PDBC12521","730925","Present",NA,NA
+"12522","2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[b][1,8]naphthyridin-5-amine, 2,4,7,9-tetramethyl-",NA,"CC1=CC(=C2C(=C1)C(=C3C(=CC(=NC3=N2)C)C)N)C","ZNPSDSMZKLWRLO-UHFFFAOYSA-N",765471,NA,"PDBC12522","749330","Present",NA,NA
+"12523","2,4,7-Triamino-6-o-tolylpteridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fda 0283",NA,"CC1=CC=CC=C1C2=NC3=C(N=C(N=C3N=C2N)N)N","GXCOXYQKWSWCGG-UHFFFAOYSA-N",95122,NA,"PDBC12523","19441","Present",NA,NA
+"12524","2,4,7-Tribromotropone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,7-Tribromotropone",NA,"C1=C(C=C(C(=O)C(=C1)Br)Br)Br","MXXSTRTVSOUGQE-UHFFFAOYSA-N",230132,NA,"PDBC12524","24692","Present",NA,NA
+"12525","2,4,7-Trimethyl-6-phenylpyrrolo[1,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[1,2-a]pyrimidine, 2,4,7-trimethyl-6-phenyl",NA,"CC1=CC(=NC2=CC(=C(N12)C3=CC=CC=C3)C)C","VIYJAFDLSZFESZ-UHFFFAOYSA-N",372531,NA,"PDBC12525","647710","Present",NA,NA
+"12526","2,4,7-Trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,7-Trinitro-N-[(Z)-(2,4,7-trinitrofluoren-9-ylidene)amino]fluoren-9-imine",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=NN=C3C4=C(C=CC(=C4)[N+](=O)[O-])C5=C3C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])C6=C2C(=CC(=C6)[N+](=O)[O-])[N+](=O)[O-]","DRNIVEDTEVAGKO-LBXGSASVSA-N",5876263,NA,"PDBC12526","658140","Present",NA,NA
+"12527","2,4,8,10-Tetrabenzyl-benzo[1,2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrabenzyl[?]tetrone",NA,"C1=CC=C(C=C1)CC2=CC3=C(C=C(C2=O)CC4=CC=CC=C4)C(=O)C5=C(C3=O)C=C(C(=O)C(=C5)CC6=CC=CC=C6)CC7=CC=CC=C7","SDQFIZMKPYQETJ-UHFFFAOYSA-N",385325,NA,"PDBC12527","676442","Present",NA,NA
+"12528","2,4,8-Trimethoxyquinoline-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,8-Trimethoxyquinoline-3-carbaldehyde",NA,"COC1=CC=CC2=C1N=C(C(=C2OC)C=O)OC","ZPWJHFFYSOATNH-UHFFFAOYSA-N",359917,NA,"PDBC12528","621629","Present",NA,NA
+"12529","2,4,9-Tetrahydrothiazolo[2,3:2',3']pyrimido[5,6-b]indol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,9-Tetrahydrothiazolo[2,3:2',3']pyrimido[5,6-b]indo...",NA,"C1CSC2=NC3=C(C4=CC=CC=C4N3)C(=O)N21","ZBETZKHOTKMFKP-UHFFFAOYSA-N",24205299,NA,"PDBC12529","734974","Present",NA,NA
+"12530","2,4,9-Trimethylbenzo[b][1,8]naphthyridin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,9-trimethylpyrido[2,3-b]quinolin-5-amine",NA,"CC1=C2C(=CC=C1)C(=C3C(=CC(=NC3=N2)C)C)N","WRUVTYDQVPMYDZ-UHFFFAOYSA-N",698490,NA,"PDBC12530","749171","Present",NA,NA
+"12531","2,4-Bis(1,3-benzodioxol-5-yl)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-di(benzo[d][1,3]dioxol-5-yl)-4-oxobutanoic acid",NA,"C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC4=C(C=C3)OCO4)C(=O)O","PPEBBOHQEAQKSW-UHFFFAOYSA-N",294348,NA,"PDBC12531","627512","Present",NA,NA
+"12532","2,4-Bis(1-adamantylmethoxy)-6-chloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis(1-adamantylmethoxy)-6-chloropyrimidine",NA,"C1C2CC3CC1CC(C2)(C3)COC4=CC(=NC(=N4)OCC56CC7CC(C5)CC(C7)C6)Cl","SQKLNOOYAICDEK-UHFFFAOYSA-N",387537,NA,"PDBC12532","681447","Present",NA,NA
+"12533","2,4-Bis(1-methylindol-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-[2-(1-methylindol-3-yl)thiazol-4-yl]indole",NA,"CN1C=C(C2=CC=CC=C21)C3=CSC(=N3)C4=CN(C5=CC=CC=C54)C","HYQSUQWRBUUGKP-UHFFFAOYSA-N",397547,NA,"PDBC12533","705867","Present",NA,NA
+"12534","2,4-Bis(1H-indol-3-yl)butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Di(1H-indol-3-yl)-1-butanol",NA,"C1=CC=C2C(=C1)C(=CN2)CCC(CO)C3=CNC4=CC=CC=C43","WGBUYPUFZUPNQF-UHFFFAOYSA-N",340898,NA,"PDBC12534","372127","Present",NA,NA
+"12535","2,4-Bis(2-furyl)-1-(3-furyl)butane-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Di(2-furyl)-1-(3-furyl)-1,4-butanedione",NA,"C1=COC(=C1)C(CC(=O)C2=CC=CO2)C(=O)C3=COC=C3","AYJQMYUDLAZQGS-UHFFFAOYSA-N",395529,NA,"PDBC12535","700219","Present",NA,NA
+"12536","2,4-Bis(3,4-dimethoxyphenyl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZTMWQBSJCZHMJR-UHFFFAOYSA-N",NA,"COC1=C(C=C(C=C1)C2=NC(=NC=N2)C3=CC(=C(C=C3)OC)OC)OC","ZTMWQBSJCZHMJR-UHFFFAOYSA-N",388432,NA,"PDBC12536","683341","Present",NA,NA
+"12537","2,4-Bis(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H,5H-Pyrano[3,2-c][1]benzopyran-5-one, 2,4-bis(3,4-dime...",NA,"COC1=C(C=C(C=C1)C2C=C(OC3=C2C(=O)OC4=CC=CC=C43)C5=CC(=C(C=C5)OC)OC)OC","DLTJNJHNAJBVMS-UHFFFAOYSA-N",309281,NA,"PDBC12537","211490","Present",NA,NA
+"12538","2,4-Bis(3-nitrophenyl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SAJFRSKAFOGJCD-UHFFFAOYSA-N",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC(=NC=N2)C3=CC(=CC=C3)[N+](=O)[O-]","SAJFRSKAFOGJCD-UHFFFAOYSA-N",388433,NA,"PDBC12538","683342","Present",NA,NA
+"12539","2,4-Bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Bis(4-bromophenyl)-3-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide",NA,"C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=C(C=C4)Br.[Br-]","IZWSSJCXHLWDCP-UHFFFAOYSA-M",376165,NA,"PDBC12539","656676","Present",NA,NA
+"12540","2,4-Bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis(4-bromophenyl)-6-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate",NA,"C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C4=CC=C(C=C4)Br.[O-]Cl(=O)(=O)=O","VMTORDMLJQVFNG-UHFFFAOYSA-M",24202433,NA,"PDBC12540","656678","Present",NA,NA
+"12541","2,4-Bis(4-methoxyphenoxy)-6-(3-hydroxy-3-methyl-1-butynyl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3'-Hydroxy-3'-methylbut-1'-ynyl)-4,6-di-(4''-methoxyp...",NA,"CC(C)(C#CC1=NC(=NC(=N1)OC2=CC=C(C=C2)OC)OC3=CC=C(C=C3)OC)O","KVQYSGGZCLIELI-UHFFFAOYSA-N",405240,NA,"PDBC12541","722341","Present",NA,NA
+"12542","2,4-Bis(4-methoxyphenyl)-1,5,3,2,4-dioxathiadiphosphepane 2,4-disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,3,2,4-Dioxathiadiphosphepane, 2,4-bis(4-methoxypheny...",NA,"COC1=CC=C(C=C1)P2(=S)OCCOP(=S)(S2)C3=CC=C(C=C3)OC","JPGYAYPPBVKALA-UHFFFAOYSA-N",386495,NA,"PDBC12542","678865","Present",NA,NA
+"12543","2,4-Bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis(4-methoxyphenyl)-3-nitroso-3-azabicyclo[3.3.1]nonan-9-one",NA,"COC1=CC=C(C=C1)C2C3CCCC(C3=O)C(N2N=O)C4=CC=C(C=C4)OC","QWNRHWNQHLYNSX-UHFFFAOYSA-N",362607,NA,"PDBC12543","626737","Present",NA,NA
+"12544","2,4-Bis(5-bromo-1H-indol-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis(5-bromo-1H-indol-3-yl)-1,3-thiazole",NA,"C1=CC2=C(C=C1Br)C(=CN2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","YMABAHXNFDTDLR-UHFFFAOYSA-N",397545,NA,"PDBC12544","705865","Present",NA,NA
+"12545","2,4-Bis(6-bromo-1H-indol-3-yl)thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis(6-bromo-1H-indol-3-yl)thiazole",NA,"C1=CC2=C(C=C1Br)NC=C2C3=CSC(=N3)C4=CNC5=C4C=CC(=C5)Br","XFFGHWGOVNLQRT-UHFFFAOYSA-N",396207,NA,"PDBC12545","701759","Present",NA,NA
+"12546","2,4-Bis(N-(2,4-bis(hydroxy(oxido)amino)phenyl)ethanehydrazonoyl)-N~1~,N~5~-bis(2-methoxyphenyl)pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-N,N'-bis(2-methoxyphenyl)pentanediamide",NA,"CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(CC(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)NC3=CC=CC=C3OC)C(=O)NC4=CC=CC=C4OC","YUPOSQVPNSVORJ-DAGCGWHASA-N",9636892,NA,"PDBC12546","637617","Present",NA,NA
+"12547","2,4-Bis(N-(2-hydroxybenzoyl)ethanehydrazonoyl)-N~1~,N~5~-bis(2-methoxyphenyl)pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis(N-(2-hydroxybenzoyl)ethanehydrazonoyl)-N~1~,N~5~-bis(2-methoxyphenyl)pentanediamide",NA,"CC(=NNC(=O)C1=CC=CC=C1O)C(CC(C(=NNC(=O)C2=CC=CC=C2O)C)C(=O)NC3=CC=CC=C3OC)C(=O)NC4=CC=CC=C4OC","LCHRMSTXLDFVTB-SKPVJXRPSA-N",9570061,NA,"PDBC12547","637637","Present",NA,NA
+"12548","2,4-Bis(Phenyldiazenyl)benzene-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis(Phenyldiazenyl)benzene-1,3-diol",NA,"C1=CC=C(C=C1)NN=C2C=CC(=O)C(=NNC3=CC=CC=C3)C2=O","NDLIECNOSIXXSC-NDDVQLSCSA-N",5463174,NA,"PDBC12548","6268","Present",NA,NA
+"12549","2,4-Bis(methylhydroxyamino)-6-morpholino-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis(methylhydroxyamino)-6-morpholino-1,3,5-triazine",NA,"CN(C1=NC(=NC(=N1)N2CCOCC2)N(C)O)O","JVZLNSBVPMBHGF-UHFFFAOYSA-N",44186462,NA,"PDBC12549","746616","Present",NA,NA
+"12550","2,4-Bis(sulfanylidene)spiro[6H-[1,2,4]triazino[3,2-b][1,3,5]thiadiazine-7,9'-fluorene]-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis(sulfanylidene)spiro[6H-[1,2,4]triazino[3,2-b][1,3,5]thiadiazine-7,9'-fluorene]-8-one",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)N=C5N(N4)C(=S)NC(=S)S5","ILJUKLGZSMGNBL-UHFFFAOYSA-N",3001566,NA,"PDBC12550","658729","Present",NA,NA
+"12551","2,4-Bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis[(Z)-(dimethylhydrazinylidene)methyl]-6-ethoxyphenol",NA,"CCOC1=CC(=CC(=C1O)C=NN(C)C)C=NN(C)C","MSFGDZDRGSLLKR-VULZFCBJSA-N",135436333,NA,"PDBC12551","720189","Present",NA,NA
+"12552","2,4-Bis[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-hydroxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-hydroxy-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C5C(O4)(N6C=CC(=O)N=C6O5)COC(C7=CC=CC=C7)(C8=CC=C(C=C8)OC)C9=CC=C(C=C9)OC)O","LNDLGGDTLCFHJU-UHFFFAOYSA-N",387254,NA,"PDBC12552","680835","Present",NA,NA
+"12553","2,4-Bishydroxyimino-6(sup a)-hydroxy-6(sup e)-methyl-7-phenyladamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-bishydroxyimino-6(sup a)-hydroxy-6(sup e)-methyl-7-p...",NA,"CC1(C2CC3CC1(CC(C3=NO)C2=NO)C4=CC=CC=C4)O","MDLWZWJEYGSWQC-KCTWFILSSA-N",54611736,NA,"PDBC12553","666702","Present",NA,NA
+"12554","2,4-Cyclopentadien-1-one, 3,4-bis(4-methylphenyl)-2,5-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Cyclopentadien-1-one, 3,4-bis(4-methylphenyl)-2,5-diphenyl-",NA,"CC1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)C5=CC=CC=C5","HFTIJXPCZGDPSS-UHFFFAOYSA-N",370271,NA,"PDBC12554","643049","Present",NA,NA
+"12555","2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65","DWAZTJAWVKZQFO-UHFFFAOYSA-N",364783,NA,"PDBC12555","631542","Present",NA,NA
+"12556","2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Di(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,"C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65","XEQHCUIOXUKJOJ-UHFFFAOYSA-N",366466,NA,"PDBC12556","634926","Present",NA,NA
+"12557","2,4-Di(2-thienyl)-1-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Di(2-thienyl)-1-(3-thienyl)-1,4-butanedione",NA,"C1=CSC(=C1)C(CC(=O)C2=CC=CS2)C(=O)C3=CSC=C3","ONLGAPULPXHIOU-UHFFFAOYSA-N",374720,NA,"PDBC12557","652912","Present",NA,NA
+"12558","2,4-Di(hydroxymethyl)-3-thioxo-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Di(hydroxymethyl)-3-thioxo-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)one",NA,"C1=CC=C(C(=C1)C2=NN(C(=S)N(C2=O)CO)CO)NC(=O)C(F)(F)F","SIFQRPDOTAOSPA-UHFFFAOYSA-N",360751,NA,"PDBC12558","623090","Present",NA,NA
+"12559","2,4-Di-tert-butyl-6-((4-methoxyphenyl)(pyridin-2-ylamino)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-di-tert-butyl-6-((4-methoxyphenyl)(pyridin-2-ylamino...",NA,"CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C2=CC=C(C=C2)OC)NC3=CC=CC=N3","QQHYEOPHRYYZCV-UHFFFAOYSA-N",331195,NA,"PDBC12559","321578","Present",NA,NA
+"12560","2,4-Diamino-1,3-diazinane-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-diaminohexahydropyrimidine-5-carbonitrile",NA,"C1C(C(NC(N1)N)N)C#N","QMLSMSICNBXNLJ-UHFFFAOYSA-N",309160,NA,"PDBC12560","211332","Present",NA,NA
+"12561","2,4-Diamino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diamino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile",NA,"C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)N)N)C#N","CJKMTJLHVXLIQP-UHFFFAOYSA-N",393967,NA,"PDBC12561","697039","Present",NA,NA
+"12562","2,4-Diamino-5-(1,1-diethoxy-4-phenylbutan-2-yl)-1H-pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Diamino-5-[1-(diethoxymethyl)-3-phenylpropyl]pyrimidin-4(1h)-one",NA,"CCOC(C(CCC1=CC=CC=C1)C2=C(N=C(NC2=O)N)N)OCC","OSFZSFIIQRYTGJ-UHFFFAOYSA-N",135426806,NA,"PDBC12562","719346","Present",NA,NA
+"12563","2,4-Diamino-5-(3-amino-4-chloro-5-nitrophenyl)-6-ethylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrimidinediamine, 5-(4-chloro-3-nitrophenyl)-6-ethyl-",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]","JUUBFXIMFOJFOF-UHFFFAOYSA-N",327404,NA,"PDBC12563","302325","Present",NA,NA
+"12564","2,4-Diamino-5-(4-chlorophenyl)sulfanyl-7,8-dimethoxy-5H-chromeno[2,3-b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-diamino-5-((4-chlorophenyl)thio)-7,8-dimethoxy-5H-ch...",NA,"COC1=C(C=C2C(=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)Cl)OC","HGOUODMSJJWSLQ-UHFFFAOYSA-N",155810710,NA,"PDBC12564","791652","Present",NA,NA
+"12565","2,4-Diamino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diamino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile",NA,"CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)N)C","DCNQSAAMNLKRCA-UHFFFAOYSA-N",393963,NA,"PDBC12565","697035","Present",NA,NA
+"12566","2,4-Diamino-6-(2-furyl)pteridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diamino-6-(2-furyl)pteridine",NA,"C1=COC(=C1)C2=CN=C3C(=N2)C(=NC(=N3)N)N","DXYPKMSPMZPOJS-UHFFFAOYSA-N",456254,NA,"PDBC12566","628178","Present",NA,NA
+"12567","2,4-Diamino-6-(2-naphthalenylsulfonyl)quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WR 158122",NA,"C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=CC4=C(C=C3)N=C(N=C4N)N","GBVQWZXJDIIUCC-UHFFFAOYSA-N",98652,NA,"PDBC12567","157388","Present",NA,NA
+"12568","2,4-Diamino-6-(5-trifluoromethylphenyl)thioquinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]th...",NA,"C1=CC(=CC(=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F","BFQQHTILCQZRGX-UHFFFAOYSA-N",100475,NA,"PDBC12568","305782","Present",NA,NA
+"12569","2,4-Diamino-6-ethyl-5-(3-(benzylamino)-4-nitrophenyl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diamino-6-ethyl-5-(3-(benzylamino)-4-nitrophenyl)pyrimidine",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3","AMTSBEAMUDXZRY-UHFFFAOYSA-N",353607,NA,"PDBC12569","602314","Present",NA,NA
+"12570","2,4-Diamino-6-ethyl-5-(3-azido-4-morpholinophenyl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diamino-6-ethyl-5-(3-azido-4-morpholinophenyl)pyrimidine",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCOCC3)N=[N+]=[N-]","NBZYENDSLBAYPK-UHFFFAOYSA-N",3292208,NA,"PDBC12570","382032","Present",NA,NA
+"12571","2,4-Diamino-6-ethyl-5-(3-nitro-4-[(2-phenylethyl)amino]phenyl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrimidinediamine, 6-ethyl-5-[3-nitro- 4-[(2-phenyle...",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCC3=CC=CC=C3)[N+](=O)[O-]","QYERPKPGUXIFHG-UHFFFAOYSA-N",3795021,NA,"PDBC12571","382049","Present",NA,NA
+"12572","2,4-Diamino-6-ethyl-5-(3-nitro-4-piperazinophenyl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diamino-6-ethyl-5-(3-nitro-4-piperazinophenyl)pyrimidine",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N3CCNCC3)[N+](=O)[O-]","DGLCLFKOBNTETD-UHFFFAOYSA-N",341263,NA,"PDBC12572","372944","Present",NA,NA
+"12573","2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylaminoazophenyl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diamino-6-ethyl-5-(4-chloro-3-dimethylaminoazophenyl)pyrimidine",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=NN(C)C","WFFVOYIYKQPAFS-UHFFFAOYSA-N",332598,NA,"PDBC12573","330465","Present",NA,NA
+"12574","2,4-Diamino-6-ethyl-5-(4-piperazinophenyl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diamino-6-ethyl-5-(4-piperazinophenyl)pyrimidine",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)N3CCNCC3","XGAUQOCGQYNEJJ-UHFFFAOYSA-N",343091,NA,"PDBC12574","382044","Present",NA,NA
+"12575","2,4-Diamino-6-hydroxy-5-phenylazopyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"py 40",NA,"C1=CC=C(C=C1)N=NC2=C(N=C(NC2=O)N)N","MUDXKPHUGKQTPE-UHFFFAOYSA-N",135403411,NA,"PDBC12575","5200","Present",NA,NA
+"12576","2,4-Diamino-7-(4-chloroanilino)methylpteridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diamino-7-(4-chloroanilino)methylpteridine",NA,"CN(CC1=CN=C2C(=NC(=NC2=N1)N)N)C3=CC=C(C=C3)Cl","DPOQKIRVGUYUBH-UHFFFAOYSA-N",393101,NA,"PDBC12576","694486","Present",NA,NA
+"12577","2,4-Diamino-8-(diethylamino)-5-(4-methoxyphenyl)sulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-diamino-8-(diethylamino)-5-((4-methoxyphenyl)thio)-5...",NA,"CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)OC","MQUSIMKDYSXQSS-UHFFFAOYSA-N",137633517,NA,"PDBC12577","791650","Present",NA,NA
+"12578","2,4-Diamino-8-methoxy-5-(4-methylsulfanylphenyl)sulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-diamino-8-methoxy-5-((4-(methylthio)phenyl)thio)-5H-...",NA,"COC1=CC2=C(C=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)SC","AHBGRMDVFSSNGT-UHFFFAOYSA-N",155813237,NA,"PDBC12578","791651","Present",NA,NA
+"12579","2,4-Diamino-8-methyl-5-(4-methylphenyl)sulfanyl-5H-chromeno[2,3-b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-diamino-8-methyl-5-(p-tolylthio)-5H-chromeno[2,3-b]p...",NA,"CC1=CC=C(C=C1)SC2C3=C(C=C(C=C3)C)OC4=C2C(=C(C(=N4)N)C#N)N","DZAAIRMXKVTULJ-UHFFFAOYSA-N",155811020,NA,"PDBC12579","791655","Present",NA,NA
+"12580","2,4-Diaminobutanoic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanoic acid, 2,4-diamino-, dihydrochloride (9CI)",NA,"C(CN)C(C(=O)O)N.Cl","BFPDKDOFOZVSLY-UHFFFAOYSA-N",12430454,NA,"PDBC12580","41117","Present",NA,NA
+"12581","2,4-Diaminobutylsulfanylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-46015",NA,"C(CN)C(CSP(=O)(O)O)N","QTWNQBJSYNDNGQ-UHFFFAOYSA-N",100160,NA,"PDBC12581","350191","Present",NA,NA
+"12582","2,4-Diaminomesitylene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-mesitylenediamine (8ci)",NA,"CC1=CC(=C(C(=C1N)C)N)C","ZVDSMYGTJDFNHN-UHFFFAOYSA-N",76547,NA,"PDBC12582","10392","Present",NA,NA
+"12583","2,4-Diazido-3-chloro-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-diazido-3-chloro-quinoline",NA,"C1=CC=C2C(=C1)C(=C(C(=N2)N=[N+]=[N-])Cl)N=[N+]=[N-]","CWMGIBFIUQOSPK-UHFFFAOYSA-N",381903,NA,"PDBC12583","669159","Present",NA,NA
+"12584","2,4-Dibromo-3-hydroxybenzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromo-3-hydroxybenzo[c]chromen-6-one",NA,"C1=CC=C2C(=C1)C3=CC(=C(C(=C3OC2=O)Br)O)Br","KKYMOHTZIGBNCQ-UHFFFAOYSA-N",5380407,NA,"PDBC12584","94727","Present",NA,NA
+"12585","2,4-Dibromo-6-((cyclohexyl(3,5-dibromo-2-hydroxybenzyl)amino)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromo-6-((cyclohexyl(3,5-dibromo-2-hydroxybenzyl)amino)methyl)phenol",NA,"C1CCC(CC1)N(CC2=C(C(=CC(=C2)Br)Br)O)CC3=C(C(=CC(=C3)Br)Br)O","CHKKLLVNGFVSBH-UHFFFAOYSA-N",241474,NA,"PDBC12585","48872","Present",NA,NA
+"12586","2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Fe+2]","YCGGVMSIBWSMML-CNHJQGRJSA-L",9569778,NA,"PDBC12586","617584","Present",NA,NA
+"12587","2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Cl-].[Fe+3]","IVUNCVVTLRCFGA-FNSWOEPPSA-K",9569777,NA,"PDBC12587","617583","Present",NA,NA
+"12588","2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Mn+2]","ZVDCPMNPYIGRQM-CNHJQGRJSA-L",9569776,NA,"PDBC12588","617582","Present",NA,NA
+"12589","2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Ni+2]","QOTVMIDLSPOOGV-CNHJQGRJSA-L",9569780,NA,"PDBC12589","617586","Present",NA,NA
+"12590","2,4-Dibromo-8,9-dichloro-1-nitro-10H-phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromo-8,9-dichloro-1-nitro-10H-phenothiazine",NA,"C1=CC(=C(C2=C1SC3=C(C=C(C(=C3N2)[N+](=O)[O-])Br)Br)Cl)Cl","RDHDWQQGGAXHCH-UHFFFAOYSA-N",3785335,NA,"PDBC12590","668293","Present",NA,NA
+"12591","2,4-Dibromo-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromo-phenothiazone",NA,"C1=CC=C2C(=C1)N=C3C=C(C(=O)C(=C3S2)Br)Br","NJKSCPROPZWVKZ-UHFFFAOYSA-N",369384,NA,"PDBC12591","641147","Present",NA,NA
+"12592","2,4-Dibromoestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromoestradiol",NA,"CC12CCC3C(C1CCC2O)CCC4=C(C(=C(C=C34)Br)O)Br","UTXNYGUZJLLOSP-UHFFFAOYSA-N",266051,NA,"PDBC12592","103054","Present",NA,NA
+"12593","2,4-Dibromophenyl 2-(phenylsulfonyl)hydrazinecarboximidoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dibromophenyl 2-(phenylsulfonyl)hydrazinecarboximidoate",NA,"C1=CC=C(C=C1)S(=O)(=O)NN=C(N)OC2=C(C=C(C=C2)Br)Br","GBJOSNYSRHFVLB-UHFFFAOYSA-N",9570056,NA,"PDBC12593","636797","Present",NA,NA
+"12594","2,4-Dichloro-1-(2-((2-(((2-(2,4-dichlorophenyl)vinyl)sulfonyl)methyl)benzyl)sulfonyl)vinyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-1-(2-((2-(((2-(2,4-dichlorophenyl)vinyl)sulfonyl)methyl)benzyl)sulfonyl)vinyl)benzene",NA,"C1=CC=C(C(=C1)CS(=O)(=O)C=CC2=C(C=C(C=C2)Cl)Cl)CS(=O)(=O)C=CC3=C(C=C(C=C3)Cl)Cl","YKDUYNZYHBPQJN-WGDLNXRISA-N",5388091,NA,"PDBC12594","631692","Present",NA,NA
+"12595","2,4-Dichloro-1-(2-(hydroxyamino)propyl)benzene 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-1-(2-(hydroxyamino)propyl)benzene 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.CC(CC1=C(C=C(C=C1)Cl)Cl)NO","LPLWMYVFXQJTQF-UHFFFAOYSA-N",246150,NA,"PDBC12595","58739","Present",NA,NA
+"12596","2,4-Dichloro-1-(2-nitrovinyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Styrene, 2,4-dichloro-.beta.-nitro-",NA,"C1=CC(=C(C=C1Cl)Cl)C=C[N+](=O)[O-]","LIWIJBBAMBDXME-ONEGZZNKSA-N",690125,NA,"PDBC12596","81882","Present",NA,NA
+"12597","2,4-Dichloro-1-(4-methylpiperazin-1-yl)acridin-9(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-1-(4-methylpiperazin-1-yl)acridin-9(10H)-one",NA,"CN1CCN(CC1)C2=C(C=C(C3=C2C(=O)C4=CC=CC=C4N3)Cl)Cl","VLWHEULXBDRQND-UHFFFAOYSA-N",391395,NA,"PDBC12597","690568","Present",NA,NA
+"12598","2,4-Dichloro-1-(cyclohexylamino)acridin-9(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-1-(cyclohexylamino)acridin-9(10H)-one",NA,"C1CCC(CC1)NC2=C(C=C(C3=C2C(=O)C4=CC=CC=C4N3)Cl)Cl","XKDPBQFHVVRYSL-UHFFFAOYSA-N",391393,NA,"PDBC12598","690566","Present",NA,NA
+"12599","2,4-Dichloro-1-(propylamino)acridin-9(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-1-(propylamino)acridin-9(10H)-one",NA,"CCCNC1=C(C=C(C2=C1C(=O)C3=CC=CC=C3N2)Cl)Cl","QHAXEANHMSYQQY-UHFFFAOYSA-N",391392,NA,"PDBC12599","690565","Present",NA,NA
+"12600","2,4-Dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-1-[(4-chlorophenyl)sulfonylmethyl]benzene",NA,"C1=CC(=CC=C1S(=O)(=O)CC2=C(C=C(C=C2)Cl)Cl)Cl","PFCHQLSWOQFFKU-UHFFFAOYSA-N",237765,NA,"PDBC12600","41567","Present",NA,NA
+"12601","2,4-Dichloro-1-piperidin-1-ylacridin-9(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-1-piperidin-1-ylacridin-9(10H)-one",NA,"C1CCN(CC1)C2=C(C=C(C3=C2C(=O)C4=CC=CC=C4N3)Cl)Cl","SHUBNOIKJDJGQO-UHFFFAOYSA-N",391394,NA,"PDBC12601","690567","Present",NA,NA
+"12602","2,4-Dichloro-11-(2-methylpropanoyl)-12H-benzo[c][1,5]benzoxazocin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-11-(2-methylpropanoyl)-12H-benzo[c][1,5]benzoxazocin-6-one",NA,"CC(C)C(=O)N1CC2=C(C(=CC(=C2)Cl)Cl)OC(=O)C3=CC=CC=C31","HNKCQDBWNGLOTM-UHFFFAOYSA-N",369595,NA,"PDBC12602","641476","Present",NA,NA
+"12603","2,4-Dichloro-3,5-dinitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC-07311",NA,"C1=C(C(=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)C(=O)N","UBMOQSTZFCSCEV-UHFFFAOYSA-N",96425,NA,"PDBC12603","73705","Present",NA,NA
+"12604","2,4-Dichloro-3-ethyl-5-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m-Cresol, 4,6-dichloro-5-ethyl-",NA,"CCC1=C(C(=CC(=C1Cl)O)C)Cl","NOEYLPXWMIBMCJ-UHFFFAOYSA-N",247901,NA,"PDBC12604","63357","Present",NA,NA
+"12605","2,4-Dichloro-3-nitro-5-sulfamoylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-3-nitro-5-sulfamoylbenzoic acid",NA,"C1=C(C(=C(C(=C1S(=O)(=O)N)Cl)[N+](=O)[O-])Cl)C(=O)O","QRKBZGTWECLWEP-UHFFFAOYSA-N",280442,NA,"PDBC12605","132073","Present",NA,NA
+"12606","2,4-Dichloro-5,6-dimethylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-W006842",NA,"CC1=C(N=C(N=C1Cl)Cl)C","BFXIDUSEHNCLTP-UHFFFAOYSA-N",241553,NA,"PDBC12606","49015","Present",NA,NA
+"12607","2,4-Dichloro-5-ethyl-3-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-27306",NA,"CCC1=CC(=C(C(=C1Cl)C)Cl)O","GMHTUWZTSIUNIM-UHFFFAOYSA-N",247902,NA,"PDBC12607","63358","Present",NA,NA
+"12608","2,4-Dichloro-6-(((2-hydroxyethyl)thio)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-6-(((2-hydroxyethyl)thio)methyl)phenol",NA,"C1=C(C=C(C(=C1CSCCO)O)Cl)Cl","YCSNQRTVBPIBKY-UHFFFAOYSA-N",229466,NA,"PDBC12608","23183","Present",NA,NA
+"12609","2,4-Dichloro-6-(propan-2-yl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE39339",NA,"CC(C)C1=CC(=NC(=N1)Cl)Cl","QOPLCURPYPOIIB-UHFFFAOYSA-N",246012,NA,"PDBC12609","58570","Present",NA,NA
+"12610","2,4-Dichloro-6-[(3,5-dichloro-2-hydroxy-4,6-dimethylphenyl)methyl]-3,5-dimethylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-6-[(3,5-dichloro-2-hydroxy-4,6-dimethylphenyl)methyl]-3,5-dimethylphenol",NA,"CC1=C(C(=C(C(=C1Cl)C)Cl)O)CC2=C(C(=C(C(=C2O)Cl)C)Cl)C","FUCRRQSAJWDTFZ-UHFFFAOYSA-N",221351,NA,"PDBC12610","5833","Present",NA,NA
+"12611","2,4-Dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-6-[(3-chloro-4-hydroxy-phenyl)methyl]phenol",NA,"C1=CC(=C(C=C1CC2=C(C(=CC(=C2)Cl)Cl)O)Cl)O","SSGFIWUNXJVUJB-UHFFFAOYSA-N",257459,NA,"PDBC12611","85485","Present",NA,NA
+"12612","2,4-Dichloro-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-6-[(5-chloro-2-hydroxyphenyl)methyl]phenol",NA,"C1=CC(=C(C=C1Cl)CC2=C(C(=CC(=C2)Cl)Cl)O)O","IYRGELGEXONOMJ-UHFFFAOYSA-N",222840,NA,"PDBC12612","9768","Present",NA,NA
+"12613","2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(2+)",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Fe+2]","QATSFXRRCSSNTE-CNHJQGRJSA-L",9569771,NA,"PDBC12613","617576","Present",NA,NA
+"12614","2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;iron(3+);chloride",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Cl-].[Fe+3]","IOSVCLKYAMUXDO-FNSWOEPPSA-K",9569770,NA,"PDBC12614","617575","Present",NA,NA
+"12615","2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;manganese(2+)",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Mn+2]","KZNGFHUNEWYTGK-CNHJQGRJSA-L",9569769,NA,"PDBC12615","617574","Present",NA,NA
+"12616","2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate;nickel(2+)",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Ni+2]","KPYXOSGYQCFFJJ-CNHJQGRJSA-L",9569773,NA,"PDBC12616","617578","Present",NA,NA
+"12617","2,4-Dichloro-6-heptadecylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-6-heptadecylpyrimidine",NA,"CCCCCCCCCCCCCCCCCC1=CC(=NC(=N1)Cl)Cl","IXTUHBQNGLUUBO-UHFFFAOYSA-N",246013,NA,"PDBC12617","58571","Present",NA,NA
+"12618","2,4-Dichloro-N-(2-hydrazinyl-2-oxoethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL193515",NA,"C1=CC(=C(C=C1Cl)Cl)C(=O)NCC(=O)NN","AUJBXUFSWDKWKJ-UHFFFAOYSA-N",366907,NA,"PDBC12618","635967","Present",NA,NA
+"12619","2,4-Dichloro-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-N'-(3-phenyl-2-propenylidene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-N'-(3-phenyl-2-propenylidene)benzohydrazide",NA,"C1=CC=C(C=C1)C=CC=NN(C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)Cl)Cl","BKCRTUKFUYESPB-VDJFITEKSA-N",9555831,NA,"PDBC12619","640634","Present",NA,NA
+"12620","2,4-Dichloro-N-[(2,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-N-[(2,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,"C1=CC(=CN=C1)CN(C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl","FWNRESIKFPXCDK-UHFFFAOYSA-N",401368,NA,"PDBC12620","714680","Present",NA,NA
+"12621","2,4-Dichloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide",NA,"C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)NC(=O)C3=C(C=C(C=C3)Cl)Cl)Cl","YBAUVWXKOCIXKO-UHFFFAOYSA-N",399372,NA,"PDBC12621","710080","Present",NA,NA
+"12622","2,4-Dichloro-N-[4-(3,4,5-trihydroxy-phenyl)-thiazol-2-yl]-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-N-[4-(3,4,5-trihydroxy-phenyl)-thiazol-2-yl]-benzenesulfonamide",NA,"C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=NC(=CS2)C3=CC(=C(C(=C3)O)O)O","BGTOVQYRMXIYEM-UHFFFAOYSA-N",403345,NA,"PDBC12622","718137","Present",NA,NA
+"12623","2,4-Dichloro-N-phenyl-N-((4-phenyl-1-piperidinyl)carbonyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-N-phenyl-N-((4-phenyl-1-piperidinyl)carbonyl)benzamide",NA,"C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=C(C=C(C=C4)Cl)Cl","HMGMEXJLKNYQGL-UHFFFAOYSA-N",395682,NA,"PDBC12623","700466","Present",NA,NA
+"12624","2,4-Dichloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide",NA,"C1CCN(CC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=C(C=C(C=C3)Cl)Cl","WGZKZFKVGHCRHQ-UHFFFAOYSA-N",391216,NA,"PDBC12624","690113","Present",NA,NA
+"12625","2,4-Dichloro-N-propylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK025802",NA,"CCCNC(=O)C1=C(C=C(C=C1)Cl)Cl","PEPIRIVIHQBSBF-UHFFFAOYSA-N",221797,NA,"PDBC12625","6866","Present",NA,NA
+"12626","2,4-Dichlorophenothiazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC129957",NA,"C1=CC=C2C(=C1)N=C3C=C(C(=O)C(=C3S2)Cl)Cl","YBJVOZCTRKETCN-UHFFFAOYSA-N",279440,NA,"PDBC12626","129957","Present",NA,NA
+"12627","2,4-Dicyano-3-(2,6-dichlorophenyl)pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dicyano-3-(2,6-dichlorophenyl)pentanedioic acid",NA,"C1=CC(=C(C(=C1)Cl)C(C(C#N)C(=O)O)C(C#N)C(=O)O)Cl","YPZJRLVFKBMTMP-UHFFFAOYSA-N",334914,NA,"PDBC12627","342054","Present",NA,NA
+"12628","2,4-Dicyano-6-iodo-N,N-diisopropyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dicyano-6-iodo-N,N-diisopropyl-1-cubanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25I)C#N)C#N","HFMWFBCBSFJSHX-UHFFFAOYSA-N",369207,NA,"PDBC12628","640913","Present",NA,NA
+"12629","2,4-Dicyano-N,N-diisopropyl-cubane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dicyano-N,N-diisopropyl-cubane-1-carboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4(C3C25C#N)C#N","JKMMPESTJKFHEJ-UHFFFAOYSA-N",369182,NA,"PDBC12629","640888","Present",NA,NA
+"12630","2,4-Didiazo-1,5-diphenyl-pentane-1,3,5-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Bis(diazonio)-3-oxo-1,5-diphenylpenta-1,4-diene-1,5-diolate",NA,"C1=CC=C(C=C1)C(=O)C(=[N+]=[N-])C(=O)C(=[N+]=[N-])C(=O)C2=CC=CC=C2","WKBMGQASPDIQBM-UHFFFAOYSA-N",373319,NA,"PDBC12630","649464","Present",NA,NA
+"12631","2,4-Diethoxy-6-(1-phenylpyrrol-2-yl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diethoxy-6-(1-phenyl-1H-pyrrol-2-yl)-1,3,5-triazine",NA,"CCOC1=NC(=NC(=N1)C2=CC=CN2C3=CC=CC=C3)OCC","DRHFNVVVWWTYNU-UHFFFAOYSA-N",285471,NA,"PDBC12631","142447","Present",NA,NA
+"12632","2,4-Diethoxyestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diethoxyestra-1,3,5(10)trien-3,17.beta.-diol",NA,"CCOC1=C(C(=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)OCC)O","JOEMROTWVNNROM-MFQVCDOASA-N",388044,NA,"PDBC12632","682505","Present",NA,NA
+"12633","2,4-Dihydroxy-6-methyl-4'-nitroazobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dihydroxy-6-methyl-4'-nitroazobenzene",NA,"CC1=CC(=CC(=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])O)O","XDOOUKIUNUWEFT-UHFFFAOYSA-N",69095,NA,"PDBC12633","5066","Present",NA,NA
+"12634","2,4-Dihydroxy-N-(2-phenylethyl)-3-quinolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL321526",NA,"C1=CC=C(C=C1)CCNC(=O)C2=C(C3=CC=CC=C3NC2=O)O","CRJBVUCXSLZFQS-UHFFFAOYSA-N",54679773,NA,"PDBC12634","675973","Present",NA,NA
+"12635","2,4-Dihydroxybenzaldehyde 2-pyridylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Resorcylaldehyde, 2-pyridylhydrazone",NA,"C1=CC=NC(=C1)NN=CC2=C(C=C(C=C2)O)O","NBSWRIBXGWRHMO-ZSOIEALJSA-N",135509512,NA,"PDBC12635","98572","Present",NA,NA
+"12636","2,4-Dihydroxybenzophenone amidino hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC67608",NA,"C1=CC=C(C=C1)C(=NN=C(N)N)C2=C(C=C(C=C2)O)O","RUPHXHIMLGNAQP-LGMDPLHJSA-N",135460269,NA,"PDBC12636","67608","Present",NA,NA
+"12637","2,4-Dimethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-di(2-thienyl)furan-3,4-dimethanol",NA,"C1=CSC(=C1)C2=C(C(=C(O2)C3=CC=CS3)CO)CO","LSYXOPJDOQPYGR-UHFFFAOYSA-N",12013259,NA,"PDBC12637","726086","Present",NA,NA
+"12638","2,4-Dimethoxy-1-[(Z)-2-nitrobut-1-enyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethoxy-1-[(Z)-2-nitrobut-1-enyl]benzene",NA,"CCC(=CC1=C(C=C(C=C1)OC)OC)[N+](=O)[O-]","PQMRXWZJELZJOC-YFHOEESVSA-N",49791635,NA,"PDBC12638","14009","Present",NA,NA
+"12639","2,4-Dimethoxy-3-phenylmethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethoxy-3-phenylmethoxybenzamide",NA,"COC1=C(C(=C(C=C1)C(=O)N)OC)OCC2=CC=CC=C2","ABHXDGVNAYYEGS-UHFFFAOYSA-N",359192,NA,"PDBC12639","619874","Present",NA,NA
+"12640","2,4-Dimethoxy-5-[3-oxo-3-phenyl-1-propynyl]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propyn-1-one, 3-(2,4-dimethoxy-5-pyrimidinyl)-1-phenyl-",NA,"COC1=NC(=NC=C1C#CC(=O)C2=CC=CC=C2)OC","BCMQVURTUKNVHU-UHFFFAOYSA-N",393732,NA,"PDBC12640","696251","Present",NA,NA
+"12641","2,4-Dimethoxy-6-(1-hydroxycyclohexylethynyl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2'-(1''-Hydroxycyclohex-1''-yl)-ethynyl]-4,6-dimethox...",NA,"COC1=NC(=NC(=N1)C#CC2(CCCCC2)O)OC","LMWJVEWGYXMLDX-UHFFFAOYSA-N",405238,NA,"PDBC12641","722339","Present",NA,NA
+"12642","2,4-Dimethoxy-6-(3,3-dimethyl-1-butynyl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3',3'-Dimethylbut-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine",NA,"CC(C)(C)C#CC1=NC(=NC(=N1)OC)OC","HDOQCYBURIMHGR-UHFFFAOYSA-N",405235,NA,"PDBC12642","722336","Present",NA,NA
+"12643","2,4-Dimethoxy-6-(4-hydroxy-1-pentynyl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4'-Hydroxypent-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine",NA,"CC(CC#CC1=NC(=NC(=N1)OC)OC)O","NFZNDNVQDNBJNV-UHFFFAOYSA-N",405239,NA,"PDBC12643","722340","Present",NA,NA
+"12644","2,4-Dimethoxy-6-(5-cyano-1-pentynyl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5'-Cyanopent-1'-ynyl)-4,6-dimethoxy-1,3,5-triazine",NA,"COC1=NC(=NC(=N1)C#CCCCC#N)OC","LYOOLFPPJHXVFR-UHFFFAOYSA-N",405236,NA,"PDBC12644","722337","Present",NA,NA
+"12645","2,4-Dimethoxy-7-phenyl-5H-pyrano[4,3-d]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethoxy-7-phenyl-5H-pyrano[4,3-d]pyrimidin-5-one",NA,"COC1=NC(=NC2=C1C(=O)OC(=C2)C3=CC=CC=C3)OC","YWMTWVFFQHUHDA-UHFFFAOYSA-N",363692,NA,"PDBC12645","628807","Present",NA,NA
+"12646","2,4-Dimethoxy-N-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethoxy-N-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]benzamide",NA,"COC1=CC(=C(C=C1)C(=O)NCCC2CN(C3=CC=CC=C23)S(=O)(=O)C(F)(F)F)OC","FWQACGVVRLAQJZ-UHFFFAOYSA-N",394111,NA,"PDBC12646","697248","Present",NA,NA
+"12647","2,4-Dimethyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide",NA,"CC1C(=O)N(S(=O)(=O)N1)C","REMRIRINSXHPBK-UHFFFAOYSA-N",364078,NA,"PDBC12647","629717","Present",NA,NA
+"12648","2,4-Dimethyl-1,3-dioxo-7,8-dihydro-6H-purino[7,8-a]imidazole-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethyl-1,3-dioxo-7,8-dihydro-6H-purino[7,8-a]imidazole-7-carboxylic acid",NA,"CN1C2=C(C(=O)N(C1=O)C)N3CC(NC3=N2)C(=O)O","DIJMJMFKTZVOGK-UHFFFAOYSA-N",397197,NA,"PDBC12648","704604","Present",NA,NA
+"12649","2,4-Dimethyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate",NA,"CC1CC2=C(C(=C3C=CC=NC3=C2O1)OC(=O)C)C","WPNQXAYWWOHDQA-UHFFFAOYSA-N",391199,NA,"PDBC12649","690032","Present",NA,NA
+"12650","2,4-Dimethyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene",NA,"CC1=CC2=C(C=C1)OC3C4=C2N(N=C4C5=CC=CC=C5S3)C","VFZJZLLVULVZED-UHFFFAOYSA-N",371911,NA,"PDBC12650","646495","Present",NA,NA
+"12651","2,4-Dimethyl-3-phenyl-1,2,4-oxadiazolidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethyl-3-phenyl-1,2,4-oxadiazolidin-5-one",NA,"CN1C(N(OC1=O)C)C2=CC=CC=C2","AWZBQNWWVHQYRB-UHFFFAOYSA-N",361520,NA,"PDBC12651","624644","Present",NA,NA
+"12652","2,4-Dimethyl-3H-imidazo[1,5-b][1,2,4]triazepine-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethyl-3H-imidazo[1,5-b][1,2,4]triazepine-9-carbonitrile",NA,"CC1=NC2=C(N=CN2N=C(C1)C)C#N","DJGSKPIYTNUABV-UHFFFAOYSA-N",382626,NA,"PDBC12652","670267","Present",NA,NA
+"12653","2,4-Dimethyl-5-(1,3,5,7-tetramethyl-1-nonenyl)-2,3-dihydro-2-furanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethyl-5-(1,3,5,7-tetramethyl-1-nonenyl)-2,3-dihydro-2-furanol",NA,"CCC(C)CC(C)CC(C)C=C(C)C1=C(CC(O1)(C)O)C","HBTWRDZVMBFOOH-LFIBNONCSA-N",5387832,NA,"PDBC12653","627784","Present",NA,NA
+"12654","2,4-Dimethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1-oxa-3-aza-2-boranuidacyclopentane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethyl-5-phenyl-2-[4-(trifluoromethyl)phenyl]-1-oxa-3-aza-2-boranuidacyclopentane",NA,NA,NA,NA,NA,"PDBC12654","656981","Present",NA,NA
+"12655","2,4-Dimethyl-7-piperazin-1-yl-1,8-naphthyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethyl-7-piperazin-1-yl-1,8-naphthyridine",NA,"CC1=CC(=NC2=C1C=CC(=N2)N3CCNCC3)C","YRGOAYZJMMYXBM-UHFFFAOYSA-N",390343,NA,"PDBC12655","687679","Present",NA,NA
+"12656","2,4-Dimethylpurino[8',7':2,3][1,3]thiazolo[4,5-b]quinoxaline-1,3(2H,4H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dimethyl-11-thia-2,5,7,9,13,20-hexazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3(8),9,12,14,16,18-heptaene-4,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C4=NC5=CC=CC=C5N=C4SC3=N2","WUDDVWYENMNTIZ-UHFFFAOYSA-N",380628,NA,"PDBC12656","666303","Present",NA,NA
+"12657","2,4-Dinitro-1-[3-(trifluoromethyl)phenoxy]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dinitro-1-[3-(trifluoromethyl)phenoxy]benzene",NA,"C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(F)(F)F","XKJFTQLTCVTSNS-UHFFFAOYSA-N",240863,NA,"PDBC12657","47657","Present",NA,NA
+"12658","2,4-Dinitro-1-benzofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dinitro-1-benzofuran",NA,"C1=CC(=C2C=C(OC2=C1)[N+](=O)[O-])[N+](=O)[O-]","MOECQHRJENTFOF-UHFFFAOYSA-N",332391,NA,"PDBC12658","329127","Present",NA,NA
+"12659","2,4-Dinitro-3'-nitrodiphenyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"72I9A2I712",NA,"C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","SFBYLUNXRRSEEP-UHFFFAOYSA-N",221812,NA,"PDBC12659","6883","Present",NA,NA
+"12660","2,4-Dinitro-5,6-dihydrobenzo[b][1,4]benzoxazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dinitro-5,6-dihydrobenzo[b][1,4]benzoxazepine",NA,"C1C2=CC=CC=C2OC3=CC(=CC(=C3N1)[N+](=O)[O-])[N+](=O)[O-]","PFJKYFUZPDUUBN-UHFFFAOYSA-N",384815,NA,"PDBC12660","675265","Present",NA,NA
+"12661","2,4-Dinitrobenzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dinitro-6H-benzo[c]chromen-6-one",NA,"C1=CC=C2C(=C1)C3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC2=O","WWTMURRQHQBWJZ-UHFFFAOYSA-N",265058,NA,"PDBC12661","100829","Present",NA,NA
+"12662","2,4-Dinitrophenyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_002081",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","NQXDAKVRYHXNPE-UHFFFAOYSA-N",230690,NA,"PDBC12662","25830","Present",NA,NA
+"12663","2,4-Dinitrophenylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-dinitrophenylacetic acid",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(=O)O","KCNISYPADDTFDO-UHFFFAOYSA-N",221513,NA,"PDBC12663","6225","Present",NA,NA
+"12664","2,4-Dioxo-1-(2-oxoethyl)hexahydro-5-pyrimidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dioxo-1-(2-oxoethyl)hexahydro-5-pyrimidinecarboximidamide",NA,"C1C(C(=O)NC(=O)N1CC=O)C(=N)N","HYPFDPGVBLOTGP-UHFFFAOYSA-N",376278,NA,"PDBC12664","656992","Present",NA,NA
+"12665","2,4-Dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-phenyl-N-(2,4,5-trichlorophenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-phenyl-N-(2,4,5-trichlorophenyl)butanamide",NA,"C1=CC=C(C=C1)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C(=O)NC4=CC(=C(C=C4Cl)Cl)Cl","HLWZWPWSXNDXTE-UHFFFAOYSA-N",371551,NA,"PDBC12665","645880","Present",NA,NA
+"12666","2,4-Dioxo-6-(p-tolyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1H-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methylphenyl)-2,4-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-pyrimidine-5-carbonitrile",NA,"CC1=CC=C(C=C1)C2=C(C(=O)N(C(=O)N2)C3C(C(C(C(O3)CO)O)O)O)C#N","WGWFZQMAQHHFSO-UHFFFAOYSA-N",389667,NA,"PDBC12666","686042","Present",NA,NA
+"12667","2,4-Dioxo-6-phenyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1H-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686040///NSC686043",NA,"C1=CC=C(C=C1)C2=C(C(=O)N(C(=O)N2)C3C(C(C(C(O3)CO)O)O)O)C#N","YEMPSUVPEYNEAA-UHFFFAOYSA-N",389665,NA,"PDBC12667","686040///686043","Present",NA,NA
+"12668","2,4-Dioxo-N-(2,4,5-trichlorophenyl)-6-(2,4,6-trioxohexahydro-5-pyrimidinyl)-5-hexenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dioxo-N-(2,4,5-trichlorophenyl)-6-(2,4,6-trioxohexahydro-5-pyrimidinyl)-5-hexenamide",NA,"C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)C(=O)CC(=O)C=CC2C(=O)NC(=O)NC2=O","IWIVOMPOQUWQBO-OWOJBTEDSA-N",5862202,NA,"PDBC12668","642012","Present",NA,NA
+"12669","2,4-Dioxo-N-(2-propan-2-ylphenyl)-4-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dioxo-N-(2-propan-2-ylphenyl)-4-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)butanamide",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=O)C(=O)NC3=CC=CC=C3C(C)C","HKFHCNZEDUGRJT-UHFFFAOYSA-N",364327,NA,"PDBC12669","630342","Present",NA,NA
+"12670","2,4-Diphenyl-1,3-oxazol-5(4h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azlactone",NA,"C1=CC=C(C=C1)C2C(=O)OC(=N2)C3=CC=CC=C3","IEJPPSMHUUQABK-UHFFFAOYSA-N",223025,NA,"PDBC12670","10171","Present",NA,NA
+"12671","2,4-Diphenyl-1-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diphenyl-1-thiophen-3-ylbutane-1,4-dione",NA,"C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(=O)C3=CSC=C3","PQZHNLLMWGSENC-UHFFFAOYSA-N",395525,NA,"PDBC12671","700215","Present",NA,NA
+"12672","2,4-Diphenyl-3,4-dihydropyrimido[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diphenyl-3,4-dihydropyrimido[1,2-a]benzimidazole",NA,"C1C(N2C3=CC=CC=C3N=C2N=C1C4=CC=CC=C4)C5=CC=CC=C5","RGLLBGFSRMGPCW-UHFFFAOYSA-N",388458,NA,"PDBC12672","683388","Present",NA,NA
+"12673","2,4-Diphenyl-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diphenyl-3,6-dihydro-2H-1,2-oxazine",NA,"C1C=C(CN(O1)C2=CC=CC=C2)C3=CC=CC=C3","UGUQLUSVOXTKJY-UHFFFAOYSA-N",370849,NA,"PDBC12673","644555","Present",NA,NA
+"12674","2,4-Diphenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diphenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,"C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC=CC=C5","RUBBCXXZKITYEZ-UHFFFAOYSA-N",384148,NA,"PDBC12674","673435","Present",NA,NA
+"12675","2,4-Diphenyl-6-(2-(1-phenylvinyl)phenyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diphenyl-6-(2-(1-phenylvinyl)phenyl)pyridine",NA,"C=C(C1=CC=CC=C1)C2=CC=CC=C2C3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5","MJYXXNPPRXPPGL-UHFFFAOYSA-N",386206,NA,"PDBC12675","677922","Present",NA,NA
+"12676","2,4-Diphenyl-6-(4-pyridyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-diphenyl-2,4'-bipyridine",NA,"C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=NC=C3)C4=CC=CC=C4","WRRXRNDAIFIALY-UHFFFAOYSA-N",388628,NA,"PDBC12676","683639","Present",NA,NA
+"12677","2,4-Diphenyl-6-thioxo-1,3-thiazine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Diphenyl-6-thioxo-1,3-thiazine-5-carbonitrile",NA,"C1=CC=C(C=C1)C2=C(C(=S)SC(=N2)C3=CC=CC=C3)C#N","HQNLXLXJLZRUHZ-UHFFFAOYSA-N",389403,NA,"PDBC12677","685474","Present",NA,NA
+"12678","2,4-Ditert-butyl-6-(1-phenylpropyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Ditert-butyl-6-(1-phenylpropyl)phenol",NA,"CCC(C1=CC=CC=C1)C2=C(C(=CC(=C2)C(C)(C)C)C(C)(C)C)O","QNAPXTXFAOYBQN-UHFFFAOYSA-N",331190,NA,"PDBC12678","321568","Present",NA,NA
+"12679","2,4-Imidazolidinedione, 3-(2-methylbutyl)-5-(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Imidazolidinedione, 3-(2-methylbutyl)-5-(phenylmethyl)-",NA,"CCC(C)CN1C(=O)C(NC1=O)CC2=CC=CC=C2","AISINMASPYZIOP-UHFFFAOYSA-N",359149,NA,"PDBC12679","619828","Present",NA,NA
+"12680","2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)- (...",NA,"C1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N","YBIRDHJXPIORJB-UHFFFAOYSA-N",26341,NA,"PDBC12680","129409","Present",NA,NA
+"12681","2,4-Pyrimidinediamine, 6-((E)-2-(4-nitrophenyl)ethenyl)-5-(4-phenylbutyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrimidinediamine, 6-((E)-2-(4-nitrophenyl)ethenyl)-5-(4-phenylbutyl)-",NA,"C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)C=CC3=CC=C(C=C3)[N+](=O)[O-]","FHQIBAKBLAPNEL-NTCAYCPXSA-N",5930201,NA,"PDBC12681","212143","Present",NA,NA
+"12682","2,4-Pyrimidinediamine, N4,N4'-1,5-pentanediylbis[6-chloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[5-[(2-Amino-6-chloropyrimidin-4-yl)amino]pentyl]-6-chloropyrimidine-2,4-diamine",NA,"C1=C(N=C(N=C1Cl)N)NCCCCCNC2=CC(=NC(=N2)N)Cl","QUUXGQAUGYPJLX-UHFFFAOYSA-N",363996,NA,"PDBC12682","629618","Present",NA,NA
+"12683","2,4-Pyrimidinediol, 6-[2-(3-chloro-4-methylphenyl)hydrazino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrimidinediol, 6-[2-(3-chloro-4-methylphenyl)hydrazino]-",NA,"CC1=C(C=C(C=C1)NNC2=CC(=O)NC(=O)N2)Cl","DKDCAVRCLKGGGD-UHFFFAOYSA-N",385881,NA,"PDBC12683","677281","Present",NA,NA
+"12684","2,4-Pyrrolidinedione, 5-[(3-fluorophenyl)methyl]-3-[1-(phenylamino)ethylidene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrrolidinedione, 5-[(3-fluorophenyl)methyl]-3-[1-(p...",NA,"CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC(=CC=C3)F)O","ZBBKGJCZNKXCAO-UHFFFAOYSA-N",135468177,NA,"PDBC12684","239273","Present",NA,NA
+"12685","2,4-Quinazolinediamine, 6-(phenylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Quinazolinediamine, 6-(phenylsulfonyl)-",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N","PPVKDCRCHJWCLK-UHFFFAOYSA-N",328137,NA,"PDBC12685","305783","Present",NA,NA
+"12686","2,4-Quinazolinediamine, 6-[[4-(dimethylamino)phenyl]thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Quinazolinediamine, 6-[[4-(dimethylamino)phenyl]thio]-",NA,"CN(C)C1=CC=C(C=C1)SC2=CC3=C(C=C2)N=C(N=C3N)N","XBBZMWRNKBGJPJ-UHFFFAOYSA-N",328145,NA,"PDBC12686","305799","Present",NA,NA
+"12687","2,4-Quinolinedione, 1,2,3,4,5,6,7,8-octahydro-1-beta-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Quinolinedione, 1,2,3,4,5,6,7,8-octahydro-1-.beta.-D...",NA,"C1CCC2=C(C1)C(=O)NC(=O)N2C3C(C(C(O3)CO)O)O","JOQQLBHFZDFOSZ-UHFFFAOYSA-N",357021,NA,"PDBC12687","614590","Present",NA,NA
+"12688","2,4-Tri-O-acetyl-1-S-dimethylarsino-1-thio-a-D-xylose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4-tri-O-acetyl-1-S-dimethylarsino-1-thio- a -D-xylose",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)S[As](C)C","TYZRUJGDDNEADN-UHFFFAOYSA-N",24203220,NA,"PDBC12688","727219","Present",NA,NA
+"12689","2,4-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]isoquin oline Hydrychloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4-Trimethoxy-7,8-methylenedioxy-11H-indeno[1,2-c]iso...",NA,"COC1=C(C(=C2C3=C(C4=CC5=C(C=C4C3)OCO5)N=CC2=C1)OC)OC.Cl","HNPPPWUVNMUHSR-UHFFFAOYSA-N",11315214,NA,"PDBC12689","730922","Present",NA,NA
+"12690","2,4-b]Thiadiazo l]disulphide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis[5-(p-chlorophenoxy)methylenetriazolo[3,4-b]thiad...",NA,"C1=CC(=CC=C1OCC2=NN=C3N2N=C(S3)SSC4=NN5C(=NN=C5S4)COC6=CC=C(C=C6)Cl)Cl","UQNCMHKLJYFMGT-UHFFFAOYSA-N",405799,NA,"PDBC12690","723451","Present",NA,NA
+"12691","2,4a-Epoxy-6,8a-methanonaphthalene-4-carboxylic acid, 1,2,5,6,7,8-hexahydro-9,9-dimethyl-1-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 12,12-dimethyl-7-oxo-11-oxatetracyclo[6.2.1.13,6.01,6]dodec-9-ene-10-carboxylate",NA,"CC1(C2CCC13C(=O)C4C=C(C3(C2)O4)C(=O)OC)C","DEAFMOGWTMKXTG-UHFFFAOYSA-N",361725,NA,"PDBC12691","624967","Present",NA,NA
+"12692","2,5,10-Trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Diphenyl-11H-benzo[f]cyclopenta[b]indol-1,5,10-trione",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=C2NC4=C3C(=O)C5=CC=CC=C5C4=O)C6=CC=CC=C6","JAYWMLTYHCTVRX-UHFFFAOYSA-N",24205015,NA,"PDBC12692","733965","Present",NA,NA
+"12693","2,5,11-Trimethyl-1,2,3,4-tetrahydro-6H-pyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,11-Trimethyl-2,3,4,6-tetrahydro-1H-pyrido[4,3-b]carbazole",NA,"CC1=C2CCN(CC2=C(C3=C1NC4=CC=CC=C43)C)C","VEWDTPLPQIPZCW-UHFFFAOYSA-N",367415,NA,"PDBC12693","637133","Present",NA,NA
+"12694","2,5,11-Trimethyl-10-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium-9-ol;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-2,5,11-trimethyl-10-(2,2,2-trifluoroethoxy)-6h-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C(=C(C=C4)O)OCC(F)(F)F)C)C.[I-]","CKQUZBRUDVTBEV-UHFFFAOYSA-N",370279,NA,"PDBC12694","643125","Present",NA,NA
+"12695","2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium;acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium acetate",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OCC(F)(F)F)C)C.CC(=O)[O-]","LVQBFIKWQDJHAH-UHFFFAOYSA-N",373610,NA,"PDBC12695","650260","Present",NA,NA
+"12696","2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,11-Trimethyl-9-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OCC(F)(F)F)C)C.[I-]","ODHDMKBQMIMXDY-UHFFFAOYSA-N",373608,NA,"PDBC12696","650259","Present",NA,NA
+"12697","2,5,11-Trimethyl-9-[(2-methylpropan-2-yl)oxy]-6H-pyrido[4,3-b]carbazol-2-ium;acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butoxy-2,5,11-trimethyl-6h-pyrido[4,3-b]carbazol-2-ium acetate",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)(C)C)C)C.CC(=O)[O-]","OYXVCTAKHUYFKT-UHFFFAOYSA-N",367832,NA,"PDBC12697","637908","Present",NA,NA
+"12698","2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium;acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium;acetate",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC5=CC=CC=C5)C)C.CC(=O)[O-]","DWVYSEBPFZAVNE-UHFFFAOYSA-N",10431819,NA,"PDBC12698","650269","Present",NA,NA
+"12699","2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,11-Trimethyl-9-phenoxy-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC5=CC=CC=C5)C)C.[I-]","WJYRZYQPNFAXSA-UHFFFAOYSA-N",373620,NA,"PDBC12699","650268","Present",NA,NA
+"12700","2,5,11-Trimethyl-9-propan-2-yloxy-6H-pyrido[4,3-b]carbazol-2-ium;acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,11-Trimethyl-9-(propan-2-yloxy)-6H-pyrido[4,3-b]carbazol-2-ium acetate",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)C)C)C.CC(=O)[O-]","YKYPYLOXSORLKZ-UHFFFAOYSA-N",373618,NA,"PDBC12700","650266","Present",NA,NA
+"12701","2,5,11-Trimethyl-9-propan-2-yloxy-6H-pyrido[4,3-b]carbazol-2-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,11-Trimethyl-9-(propan-2-yloxy)-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)C)C)C.[I-]","JVWHPCIZZMIHEV-UHFFFAOYSA-N",373616,NA,"PDBC12701","650265","Present",NA,NA
+"12702","2,5,12-Trimethyl-[1,4]benzodioxino[2,3-g]isoquinolin-2-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,12-Trimethyl-[1,4]benzodioxino[3,2-g]isoquinolin-2-ium acetate",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1OC4=CC=CC=C4O3)C)C.CC(=O)[O-]","DFUXLFVDZICVFB-UHFFFAOYSA-M",388316,NA,"PDBC12702","683048","Present",NA,NA
+"12703","2,5,5,6-Tetramethylbicyclo[2.2.1]heptan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,5,6-Tetramethylbicyclo[2.2.1]heptan-2-ol",NA,"CC1C2CC(C1(C)C)CC2(C)O","WBRVSUFURREMCX-UHFFFAOYSA-N",376007,NA,"PDBC12703","656387","Present",NA,NA
+"12704","2,5,5-Trimethyl-3-aza-2-azoniatricyclo[5.2.2.02,6]undeca-3,8-diene;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,8-Trimethyl-3,3a,4,7-tetrahydro-4,7-ethanopyrazolo[1,5-a]pyridin-8-ium iodide",NA,"CC1(C=N[N+]2(C1C3CCC2C=C3)C)C.[I-]","UHDDWRIVXRLXNZ-UHFFFAOYSA-M",363365,NA,"PDBC12704","628248","Present",NA,NA
+"12705","2,5,6,7-Tetrafluoro-1H-benzo[d]imidazol-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-di-tert-butyl-4-(4,5,6,7-tetrafluoro-1H-benzo[d]imid...",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NC3=C(N2)C(=C(C(=C3F)F)F)F","DFXIDLOJBDDPDX-UHFFFAOYSA-N",135580414,NA,"PDBC12705","736002","Present",NA,NA
+"12706","2,5,6,8-Tetramethyl-3,10-bis[2,4,6-tri(propan-2-yl)phenyl]-3lambda5,10lambda5-diphosphatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,6,8-Tetramethyl-3,10-bis[2,4,6-tri(propan-2-yl)phenyl]-3lambda5,10lambda5-diphosphatricyclo[5.2.1.02,6]deca-4,8-diene 3,10-dioxide",NA,"CC1=CC2C3(C(C1P2(=O)C4=C(C=C(C=C4C(C)C)C(C)C)C(C)C)(C(=CP3(=O)C5=C(C=C(C=C5C(C)C)C(C)C)C(C)C)C)C)C","KDIUGRPEFPBZAU-UHFFFAOYSA-N",398932,NA,"PDBC12706","709166","Present",NA,NA
+"12707","2,5,6-Triphenyl-5,6-dihydropyrrolo[3,4-d][1,2,3]triazol-4(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,6-Triphenyl-5,6-dihydropyrrolo[3,4-d][1,2,3]triazol-4(2H)-one",NA,"C1=CC=C(C=C1)C2C3=NN(N=C3C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5","KFCHUOBLEBHPLH-UHFFFAOYSA-N",372804,NA,"PDBC12707","648467","Present",NA,NA
+"12708","2,5,7-Trimethyl-3,4,6-trinitro-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,7-Trimethyl-3,4,6-trinitro-1H-indole",NA,"CC1=C2C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C(=C(N2)C)[N+](=O)[O-]","UOMKWAKTOFPUDL-UHFFFAOYSA-N",362915,NA,"PDBC12708","627390","Present",NA,NA
+"12709","2,5,8,11,16,19,22,25-Octathia-13,14,27,28-tetrazatricyclo[24.2.2.212,15]dotriaconta-1(28),12,14,26,29,31-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,8,11,16,19,22,25-Octathia-13,14,27,28-tetrazatricyclo[24.2.2.212,15]dotriaconta-1(28),12,14,26,29,31-hexaene",NA,"C1CSCCSC2=NN=C(C=C2)SCCSCCSCCSC3=NN=C(C=C3)SCCS1","VIQOFKPZVOMBMC-UHFFFAOYSA-N",382158,NA,"PDBC12709","669606","Present",NA,NA
+"12710","2,5,8,13,16,19-Hexathia-10,11,21,22-tetrazatricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,8,13,16,19-Hexathia-10,11,21,22-tetrazatricyclo[18.2.2.29,12]hexacosa-1(22),9,11,20,23,25-hexaene",NA,"C1CSC2=NN=C(C=C2)SCCSCCSC3=NN=C(C=C3)SCCS1","WSVPZSIKZFQSNA-UHFFFAOYSA-N",382157,NA,"PDBC12710","669605","Present",NA,NA
+"12711","2,5,8-Trimethyl-1H-[1,2,4]triazolo[1,2-a][1,2]benzodiazete-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8,11-Trimethyl-2,4,6-triazatricyclo[5.4.0.02,6]undeca-1(11),7,9-triene-3,5-dione",NA,"CC1=C2C(=C(C=C1)C)N3N2C(=O)N(C3=O)C","HFKXEQSWLWQYDQ-UHFFFAOYSA-N",391905,NA,"PDBC12711","691586","Present",NA,NA
+"12712","2,5,9,11-Tetramethyl-2,6-dihydro-1H-pyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazole, 1,2-dihydro-2,5,9,11-tetra- m...",NA,"CC1=CC2=C(C=C1)NC3=C2C(=C4CN(C=CC4=C3C)C)C","LOCXAALEVBWMBX-UHFFFAOYSA-N",371688,NA,"PDBC12712","646127","Present",NA,NA
+"12713","2,5,9,12-Tetrathia-14,15-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,9,12-Tetrathia-14,15-diazabicyclo[11.2.2]heptadeca-1(15),13,16-triene",NA,"C1CSCCSC2=NN=C(C=C2)SCCSC1","QEVNNLDUBMYMAE-UHFFFAOYSA-N",382156,NA,"PDBC12713","669604","Present",NA,NA
+"12714","2,5,9,12-Tetrathiabicyclo[11.4.0]heptadeca-1(13),14,16-triene-15,16-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-1,4,8,11-Benzotetrathiacyclotridecin- 13,14-dicarboni...",NA,"C1CSCCSC2=C(C=C(C(=C2)C#N)C#N)SCCSC1","MWDZYSHIBZKMKC-UHFFFAOYSA-N",387185,NA,"PDBC12714","680721","Present",NA,NA
+"12715","2,5-Anhydro-4-deoxy-4-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)-1-(dimethyl acetal)-L-mannose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(Dimethoxymethyl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2C(OC(C2O)C(OC)OC)CO","LQORNWXDTZHUCA-UHFFFAOYSA-N",393725,NA,"PDBC12715","696243","Present",NA,NA
+"12716","2,5-Bis((4-methylphenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis((4-methylphenyl)sulfonyl)-1,2,3,4,5,6-hexahydro-2,5-benzodiazocine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC3=CC=CC=C3C2)S(=O)(=O)C4=CC=C(C=C4)C","UOZCDCMCXKXDBE-UHFFFAOYSA-N",386263,NA,"PDBC12716","678006","Present",NA,NA
+"12717","2,5-Bis((dimethylamino)methyl)cyclopentanone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2,5-bis[(dimethylamino)methyl]-, dihydro...",NA,"CN(C)CC1CCC(C1=O)CN(C)C.Cl","ZVXGOLVRKYRGHM-UHFFFAOYSA-N",368963,NA,"PDBC12717","131233","Present",NA,NA
+"12718","2,5-Bis(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylmethyl)-1,4-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(1,4,7,10-tetraoxa-13-azacyclopentadecan-13-ylmethyl)-1,4-benzenediol",NA,"C1COCCOCCOCCOCCN1CC2=CC(=C(C=C2O)CN3CCOCCOCCOCCOCC3)O","SFQKUQBDBGPGDJ-UHFFFAOYSA-N",374797,NA,"PDBC12718","653043","Present",NA,NA
+"12719","2,5-Bis(1-aziridinyl)hydroquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(ethylamino)hydroquinone",NA,"C1CN1C2=CC(=C(C=C2O)N3CC3)O","XPZMWTZEBALMMC-UHFFFAOYSA-N",94797,NA,"PDBC12719","3262","Present",NA,NA
+"12720","2,5-Bis(2,4,6-trimethylphenyl)benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(2,4,6-trimethylphenyl)benzene-1,4-diol",NA,"CC1=CC(=C(C(=C1)C)C2=CC(=C(C=C2O)C3=C(C=C(C=C3C)C)C)O)C","QLGVXKFPOKNNFD-UHFFFAOYSA-N",232016,NA,"PDBC12720","29018","Present",NA,NA
+"12721","2,5-Bis(2,4-dimethylphenyl)benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(2,4-dimethylphenyl)benzene-1,4-diol",NA,"CC1=CC(=C(C=C1)C2=CC(=C(C=C2O)C3=C(C=C(C=C3)C)C)O)C","FTGCTVWKHSDTEQ-UHFFFAOYSA-N",232011,NA,"PDBC12721","29013","Present",NA,NA
+"12722","2,5-Bis(2-chloro-2,2-difluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(2-chloro-2,2-difluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclohexanone",NA,"C1CC(C(=O)CC1C(C(F)(F)F)(C(F)(F)Cl)O)C(C(F)(F)F)(C(F)(F)Cl)O","AGMRKTJBFHLLHW-UHFFFAOYSA-N",377627,NA,"PDBC12722","659206","Present",NA,NA
+"12723","2,5-Bis(2-methoxy-5-methylphenyl)-3-(phenylthio)furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(2-methoxy-5-methylphenyl)-3-(phenylthio)furan",NA,"CC1=CC(=C(C=C1)OC)C2=CC(=C(O2)C3=C(C=CC(=C3)C)OC)SC4=CC=CC=C4","OABJHTYWAHIBPJ-UHFFFAOYSA-N",369516,NA,"PDBC12723","641313","Present",NA,NA
+"12724","2,5-Bis(2-methoxy-5-methylphenyl)furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(2-methoxy-5-methylphenyl)furan",NA,"CC1=CC(=C(C=C1)OC)C2=CC=C(O2)C3=C(C=CC(=C3)C)OC","FHSSSHVNFJBOQL-UHFFFAOYSA-N",369517,NA,"PDBC12724","641314","Present",NA,NA
+"12725","2,5-Bis(2-phenylpropan-2-yl)benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC33579",NA,"CC(C)(C1=CC=CC=C1)C2=CC(=C(C=C2O)C(C)(C)C3=CC=CC=C3)O","ZWZHTSWRPYHCGO-UHFFFAOYSA-N",234170,NA,"PDBC12725","33579","Present",NA,NA
+"12726","2,5-Bis(2-thienyl)-3-(3-thienyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(2-thienyl)-3-(3-thienyl)thiophene",NA,"C1=CSC(=C1)C2=CC(=C(S2)C3=CC=CS3)C4=CSC=C4","PKJBFYBPHBGGLX-UHFFFAOYSA-N",376722,NA,"PDBC12726","657768","Present",NA,NA
+"12727","2,5-Bis(3,4-dihydroxybenzylidene)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis-(3,4-dihydroxy-benzylidene)-cyclopentanone",NA,"C1CC(=CC2=CC(=C(C=C2)O)O)C(=O)C1=CC3=CC(=C(C=C3)O)O","MJDXEGMXLDBXSV-FNCQTZNRSA-N",5468263,NA,"PDBC12727","666767","Present",NA,NA
+"12728","2,5-Bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-bis(3-Amino-2,4,6-trinitrophenyl)-1,3,4-thiadiazole",NA,"C1=C(C(=C(C(=C1[N+](=O)[O-])N)[N+](=O)[O-])C2=NN=C(S2)C3=C(C(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])N)[N+](=O)[O-])[N+](=O)[O-]","ZQBFPTNBHLNCEN-UHFFFAOYSA-N",385374,NA,"PDBC12728","676536","Present",NA,NA
+"12729","2,5-Bis(4-bromophenyl)-3,4-dioxohexanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(4-bromophenyl)-3,4-dioxohexanedinitrile",NA,"C1=CC(=CC=C1C(C#N)C(=O)C(=O)C(C#N)C2=CC=C(C=C2)Br)Br","ZHYCZNYRBODWQV-UHFFFAOYSA-N",360297,NA,"PDBC12729","622332","Present",NA,NA
+"12730","2,5-Bis(4-chlorophenyl)-3,4-dioxohexanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(4-chlorophenyl)-3,4-dioxohexanedioic acid",NA,"C1=CC(=CC=C1C(C(=O)C(=O)C(C2=CC=C(C=C2)Cl)C(=O)O)C(=O)O)Cl","ZXNIDWWQGOKFMH-UHFFFAOYSA-N",359859,NA,"PDBC12730","621474","Present",NA,NA
+"12731","2,5-Bis(4-ethylphenyl)-3,6-dihydroxybenzo-1,4-quinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Benzoquinone, 2,5-bis(p-ethylphenyl)-3,6-dihydroxy-",NA,"CCC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)O)C3=CC=C(C=C3)CC)O","JTTAVDAEVCLLLX-UHFFFAOYSA-N",270944,NA,"PDBC12731","114126","Present",NA,NA
+"12732","2,5-Bis(4-hydroxybenzylidene)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(4-hydroxybenzylidene)cyclopentanone",NA,"C1CC(=CC2=CC=C(C=C2)O)C(=O)C1=CC3=CC=C(C=C3)O","YSEMBYWAAKOCKW-JOBJLJCHSA-N",1712706,NA,"PDBC12732","666766","Present",NA,NA
+"12733","2,5-Bis(5-ethylbenzoxazole-2-yl)hydroquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(5-ethylbenzoxazole-2-yl)hydroquinone",NA,"CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3O)C4=NC5=C(O4)C=CC(=C5)CC)O","CFIFPXCCFUPTSL-UHFFFAOYSA-N",383810,NA,"PDBC12733","672371","Present",NA,NA
+"12734","2,5-Bis(6-methyl-2-benzoxazolyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(6-methyl-2-benzoxazolyl)phenol",NA,"CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C4=NC5=C(O4)C=C(C=C5)C)O","BLBAPADRSOTHJN-UHFFFAOYSA-N",383811,NA,"PDBC12734","672372","Present",NA,NA
+"12735","2,5-Bis(chloromercuri)furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(chloromercuri)furan",NA,"C1=C(OC(=C1)[Hg]Cl)[Hg]Cl","BVMMYNWZWDKHIS-UHFFFAOYSA-L",411698,NA,"PDBC12735","35563","Present",NA,NA
+"12736","2,5-Bis(chloromethyl)-p-xylene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-bis(chloromethyl)-p-xylene",NA,"CC1=CC(=C(C=C1CCl)C)CCl","UYRPOMMBPQHVMN-UHFFFAOYSA-N",80530,NA,"PDBC12736","41890","Present",NA,NA
+"12737","2,5-Bis(diethoxyphosphorylmethyl)-1-methyl-pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(diethoxyphosphorylmethyl)-1-methyl-pyrrole",NA,"CCOP(=O)(CC1=CC=C(N1C)CP(=O)(OCC)OCC)OCC","XRLHYAYXGOHCBR-UHFFFAOYSA-N",361925,NA,"PDBC12737","625399","Present",NA,NA
+"12738","2,5-Bis(hydroxymethyl)pyrrolidine-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(R), 5(R)-Bis(hydroxymethyl)-3(R), 4(R)-dihydroxypyrrol...",NA,"C(C1C(C(C(N1)CO)O)O)O","PFYHYHZGDNWFIF-UHFFFAOYSA-N",1472,NA,"PDBC12738","624987","Present",NA,NA
+"12739","2,5-Bis(hydroxymethyl)pyrrolidine-3,4-diol;propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(R),5(R)-Bis(hydroxymethyl)-3(R),4(R)- dihydroxyprrolid...",NA,"CC(C)O.C(C1C(C(C(N1)CO)O)O)O","AUXMLWPMEMRZTG-UHFFFAOYSA-N",361742,NA,"PDBC12739","624988","Present",NA,NA
+"12740","2,5-Bis(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665625",NA,"C1CCN(CC1)CC2CCC(C2=O)CN3CCCCC3.Cl","XWAVOHGDRIWKNU-UHFFFAOYSA-N",380179,NA,"PDBC12740","665625","Present",NA,NA
+"12741","2,5-Bis(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667065",NA,"C1CCN(C1)CC2CCC(C2=O)CN3CCCC3.Cl","OWSJIMNRXAFRJN-UHFFFAOYSA-N",381045,NA,"PDBC12741","667065","Present",NA,NA
+"12742","2,5-Bis(thiolan-1-ium-1-ylmethyl)furan;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660330",NA,"C1CC[S+](C1)CC2=CC=C(O2)C[S+]3CCCC3.[Br-]","KNAPSIGWKYXJRS-UHFFFAOYSA-M",378320,NA,"PDBC12742","660330","Present",NA,NA
+"12743","2,5-Bis(thiolan-1-ium-1-ylmethyl)thiophene;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660326",NA,"C1CC[S+](C1)CC2=CC=C(S2)C[S+]3CCCC3.[Cl-]","QGAWOBSZCJBANR-UHFFFAOYSA-M",378313,NA,"PDBC12743","660326","Present",NA,NA
+"12744","2,5-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,6-dioxa-2,5-diazacycloundecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,6-dioxa-2,5-diazacycloundecane",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(OCCCCCO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C","YGOQJMDSXPOELG-UHFFFAOYSA-N",397942,NA,"PDBC12744","707021","Present",NA,NA
+"12745","2,5-Bis[2-(4-hydroxyphenyl)ethylamino]cyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis{[2-(4-hydroxyphenyl)ethyl]amino}cyclohexa-2,5-diene-1,4-dione",NA,"C1=CC(=CC=C1CCNC2=CC(=O)C(=CC2=O)NCCC3=CC=C(C=C3)O)O","KXKNWTGRUGUIMD-UHFFFAOYSA-N",386839,NA,"PDBC12745","679562","Present",NA,NA
+"12746","2,5-Bis[3'-N-benzensulfonyl-(5'-methoxyindolyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-BIS[3'-N-BENZENSULFONYL-(5'-METHOXYINDOLYL)THIOPHENE",NA,"COC1=CC2=C(C=C1)N(C=C2C3=CC=C(S3)C4=CN(C5=C4C=C(C=C5)OC)S(=O)(=O)C6=CC=CC=C6)S(=O)(=O)C7=CC=CC=C7","IOWUCNMGLYFJTI-UHFFFAOYSA-N",45027915,NA,"PDBC12746","740107","Present",NA,NA
+"12747","2,5-Bis[3-(triphenylphosphoranylidene)-1,4-cyclopentadienyl]-3,6-dibromo-1,4-benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis[3-(triphenylphosphoranylidene)-1,4-cyclopentadienyl]-3,6-dibromo-1,4-benzoquinone",NA,"C1=CC=C(C=C1)P(=C2C=CC(=C2)C3=C(C(=O)C(=C(C3=O)Br)C4=CC(=P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C=C4)Br)(C8=CC=CC=C8)C9=CC=CC=C9","OVNPXHPMVJHWIJ-UHFFFAOYSA-N",387505,NA,"PDBC12747","681315","Present",NA,NA
+"12748","2,5-Bis{[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]thio}-1,3,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis{[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]thio}-1,3,4-thiadiazole",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)SC3=NN=C(S3)SC4=C(N=C(O4)C5=CC=CC=C5)C(F)(F)F)C(F)(F)F","PATOGSAKGSWIFZ-UHFFFAOYSA-N",362772,NA,"PDBC12748","627053","Present",NA,NA
+"12749","2,5-Di(1-naphthyl)-3,4-thiophenedicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Di(1-naphthyl)-3,4-thiophenedicarboxylic acid",NA,"C1=CC=C2C(=C1)C=CC=C2C3=C(C(=C(S3)C4=CC=CC5=CC=CC=C54)C(=O)O)C(=O)O","FMSPZIOVCNYNDO-UHFFFAOYSA-N",363311,NA,"PDBC12749","628130","Present",NA,NA
+"12750","2,5-Di(pyrazol-1-yl)benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Benzenediol, 2,5-bis(1-pyrazolyl)-",NA,"C1=CN(N=C1)C2=CC(=C(C=C2O)N3C=CC=N3)O","NEKFXNXCGBONEV-UHFFFAOYSA-N",371593,NA,"PDBC12750","645987","Present",NA,NA
+"12751","2,5-Di-tert-amylhydroquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"santouar a",NA,"CCC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC)O","CZNRFEXEPBITDS-UHFFFAOYSA-N",6610,NA,"PDBC12751","455","Present",NA,NA
+"12752","2,5-Diamino-3-[(4-chlorophenyl)diazenyl]-7-methylthio-8-hydropyrazolo[1,5-a]py rimidine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Diamino-3-[(4-chlorophenyl)diazenyl]-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile",NA,"CSC1=C(C(=NC2=C(C(=NN21)N)N=NC3=CC=C(C=C3)Cl)N)C#N","UFUFIRWPMJJMFM-UHFFFAOYSA-N",384286,NA,"PDBC12752","673844","Present",NA,NA
+"12753","2,5-Diamino-3-[(4-methoxyphenyl)diazenyl]-7-methylthio-8-hydropyrazolo[1,5-a]p yrimidine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Diamino-3-[(4-methoxyphenyl)diazenyl]-7-methylsulfanylpyrazolo[1,5-a]pyrimidine-6-carbonitrile",NA,"COC1=CC=C(C=C1)N=NC2=C3N=C(C(=C(N3N=C2N)SC)C#N)N","WBJJRZCWGRPEMA-UHFFFAOYSA-N",384287,NA,"PDBC12753","673845","Present",NA,NA
+"12754","2,5-Diamino-6-[2-(phosphonomethoxy)ethylamino]pyrimidine-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Diamino-6-[2-(phosphonomethoxy)ethylamino]pyrimidine-4(3H)-one",NA,"C(COCP(=O)(O)O)NC1=C(C(=O)NC(=N1)N)N","OQZJUTCBVYTWKE-UHFFFAOYSA-N",135484993,NA,"PDBC12754","683330","Present",NA,NA
+"12755","2,5-Diaminochromeno[2,3,4-de]quinoline-3,6-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diamino[?]dicarbonitrile",NA,"C1=CC=C2C(=C1)C3=CC(=N)C(=C4C3=C(O2)C(=C(N4)N)C#N)C#N","HGDXRIZWCAFCMN-UHFFFAOYSA-N",389420,NA,"PDBC12755","685502","Present",NA,NA
+"12756","2,5-Dibenzyl-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dibenzyl-2-[(dimethylamino)methyl]cyclopentan-1-one;hydrochloride",NA,"CN(C)CC1(CCC(C1=O)CC2=CC=CC=C2)CC3=CC=CC=C3.Cl","QOZPHQOHBQSRLX-UHFFFAOYSA-N",368538,NA,"PDBC12756","639617","Present",NA,NA
+"12757","2,5-Dibenzyl-2-undecyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dibenzyl-2-undecyloctahydro-1H-pyrrolo[3,4-c]pyridin-2-ium bromide",NA,"CCCCCCCCCCC[N+]1(CC2CCN(CC2C1)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-]","HNMSEUUEKHOHFZ-UHFFFAOYSA-M",378731,NA,"PDBC12757","661832","Present",NA,NA
+"12758","2,5-Dibenzylthiopyrazine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-dibenzylthiopyrazine 1-oxide",NA,"C1=CC=C(C=C1)CSC2=CN=C(C=[N+]2[O-])SCC3=CC=CC=C3","NDGMCJHJWJXRMY-UHFFFAOYSA-N",495612,NA,"PDBC12758","662188","Present",NA,NA
+"12759","2,5-Dibromo-3,4-dinitrothiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC84661",NA,"C1(=C(SC(=C1[N+](=O)[O-])Br)Br)[N+](=O)[O-]","AHGHPBPARMANQD-UHFFFAOYSA-N",257024,NA,"PDBC12759","84661","Present",NA,NA
+"12760","2,5-Dibromo-3,6-dimethylbenzene-1,4-diol;2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dibromo-3,6-dimethylbenzene-1,4-diol;2,5-dibromo-3,6-dimethylcyclohexa-2,5-diene-1,4-dione",NA,"CC1=C(C(=C(C(=C1Br)O)C)Br)O.CC1=C(C(=O)C(=C(C1=O)Br)C)Br","QPUPISPNAHNDHB-UHFFFAOYSA-N",270077,NA,"PDBC12760","112200","Present",NA,NA
+"12761","2,5-Dichloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) azobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dichloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) a...",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=C(C=CC(=C2)Cl)Cl","YOLIPHNSVNCXLF-UHFFFAOYSA-N",365300,NA,"PDBC12761","632851","Present",NA,NA
+"12762","2,5-Dichloro-3,6-bis(4-methylphenyl)benzo-1,4-quinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dichloro-3,6-bis(4-methylphenyl)benzo-1,4-quinone",NA,"CC1=CC=C(C=C1)C2=C(C(=O)C(=C(C2=O)Cl)C3=CC=C(C=C3)C)Cl","KKRDPDNFDFDTRJ-UHFFFAOYSA-N",275178,NA,"PDBC12762","121838","Present",NA,NA
+"12763","2,5-Dichloro-3,6-bis-propionylamino-[1,4]benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dichloro-3,6-bis-propionylamino-[1,4]benzoquinone",NA,"CCC(=O)NC1=C(C(=O)C(=C(C1=O)Cl)NC(=O)CC)Cl","KKSCCSVQHNQDBX-UHFFFAOYSA-N",323616,NA,"PDBC12763","285233","Present",NA,NA
+"12764","2,5-Dichloro-3-((dichloroacetyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dichloro-3-((dichloroacetyl)amino)benzoic acid",NA,"C1=C(C=C(C(=C1C(=O)O)Cl)NC(=O)C(Cl)Cl)Cl","DRRVSIJTVLIPMM-UHFFFAOYSA-N",367256,NA,"PDBC12764","636804","Present",NA,NA
+"12765","2,5-Dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]aniline",NA,"C1=CC=C2C(=C1)C(=CN2)C=NNC3=C(C=CC(=C3)Cl)Cl","RNHWDGMCSSNIBL-OCKHKDLRSA-N",135455348,NA,"PDBC12765","526671","Present",NA,NA
+"12766","2,5-Dihydroxy-3,4,6-trichlorophenyl)-thiazole]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-bi[5-(2,5-dihydroxy-3,4,6-trichlorophenyl)-thiazole]",NA,"C1=C(SC(=N1)C2=NC=C(S2)C3=C(C(=C(C(=C3Cl)O)Cl)Cl)O)C4=C(C(=C(C(=C4Cl)O)Cl)Cl)O","ZQCFBQTZZBNDAX-UHFFFAOYSA-N",406199,NA,"PDBC12766","724212","Present",NA,NA
+"12767","2,5-Dihydroxy-p-benzenediacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GEO-01099",NA,"C1=C(C(=CC(=C1O)CC(=O)O)O)CC(=O)O","MCLKERLHVBEZIW-UHFFFAOYSA-N",79628,NA,"PDBC12767","30144","Present",NA,NA
+"12768","2,5-Dimethoxy-5,6,8,8b-tetraphenyl-5H,8bH-thieno[3',4':3,4]pyrrolo[2,1-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Dimethoxy-2,7,9,11-tetraphenyl-3,10-dithia-5,6-diazatricyclo[6.3.0.02,6]undeca-1(11),4,8-triene",NA,"COC1=NN2C(C3=C(SC(=C3C2(S1)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)OC","PFUXIQNCCZTIBQ-UHFFFAOYSA-N",364075,NA,"PDBC12768","629714","Present",NA,NA
+"12769","2,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethoxy-N,N-dimethyl-4-[(Z)-2-(quinolin-4-yl)ethenyl]aniline",NA,"CN(C)C1=C(C=C(C(=C1)OC)C=CC2=CC=NC3=CC=CC=C23)OC","WNRMQAWGIWTTME-KTKRTIGZSA-N",54599355,NA,"PDBC12769","268804","Present",NA,NA
+"12770","2,5-Dimethoxy-beta-methyl-beta-nitrostyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-Dimethoxyphenyl)-2-nitropropene",NA,"CC(=CC1=C(C=CC(=C1)OC)OC)[N+](=O)[O-]","MQFREHNTGKNSRH-VURMDHGXSA-N",17384199,NA,"PDBC12770","151247","Present",NA,NA
+"12771","2,5-Dimethoxyamphetamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAS-24973-25-9",NA,"CC(CC1=C(C=CC(=C1)OC)OC)N.Cl","OLBMBFHNGDUGST-UHFFFAOYSA-N",62786,NA,"PDBC12771","367445","Present",NA,NA
+"12772","2,5-Dimethoxybenzylidene pinacolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethoxybenzylidene pinacolone",NA,"CC(C)(C)C(=O)C=CC1=C(C=CC(=C1)OC)OC","DSNCWEGRIPVGQD-RMKNXTFCSA-N",5932268,NA,"PDBC12772","643024","Present",NA,NA
+"12773","2,5-Dimethyl-1,4-benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phlorone",NA,"CC1=CC(=O)C(=CC1=O)C","MYKLQMNSFPAPLZ-UHFFFAOYSA-N",8718,NA,"PDBC12773","15309","Present",NA,NA
+"12774","2,5-Dimethyl-1H-imidazo[4,5-d]pyridazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethyl-1H-imidazo[4,5-d]pyridazin-4-one",NA,"CC1=NC2=C(N1)C=NN(C2=O)C","IBZMUJGEKSWOKZ-UHFFFAOYSA-N",135435949,NA,"PDBC12774","690585","Present",NA,NA
+"12775","2,5-Dimethyl-1H-imidazo[4,5-d]pyridazine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethyl-1H-imidazo[4,5-d]pyridazine-4-thione",NA,"CC1=NC2=C(N1)C=NN(C2=S)C","FEXJGPGUZUNNHR-UHFFFAOYSA-N",135460189,NA,"PDBC12775","690587","Present",NA,NA
+"12776","2,5-Dimethyl-3,4-dibromothiophene 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethyl-3,4-dibromothiophene 1-oxide",NA,"CC1=C(C(=C(S1=O)C)Br)Br","ALCQYXZUNIJYFT-UHFFFAOYSA-N",399696,NA,"PDBC12776","710614","Present",NA,NA
+"12777","2,5-Dimethyl-3,4-dihydrocyclopenta[e][1,2,4]triazine-6,6,7,7-tetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Cyclopenta[e]-1,2,4-triazine-6,6,7,7-tetracarbonitril...",NA,"CC1=C2C(=NN(CN2)C)C(C1(C#N)C#N)(C#N)C#N","JVIYOJRAKKTXDR-UHFFFAOYSA-N",387779,NA,"PDBC12777","681852","Present",NA,NA
+"12778","2,5-Dimethyl-3,6-diaziridinyl-1,4-benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethyl-3,6-diaziridinyl-1,4-benzoquinone",NA,"CC1=C(C(=O)C(=C(C1=O)N2CC2)C)N3CC3","IWVCOLOPRNYONP-UHFFFAOYSA-N",159854,NA,"PDBC12778","646714","Present",NA,NA
+"12779","2,5-Dimethyl-3-phenyl-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Dimethyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(N2C(=C1C#N)N=NN(C2=O)C)C3=CC=CC=C3","XWPAERWARDJSEV-UHFFFAOYSA-N",396108,NA,"PDBC12779","701656","Present",NA,NA
+"12780","2,5-Dimethyl-3H-[1,3]diazepino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethyl-3H-[1,3]diazepino[1,2-a]benzimidazole",NA,"CC1=NC2=NC3=CC=CC=C3N2C(=CC1)C","UAURZPISUFTHHL-UHFFFAOYSA-N",387895,NA,"PDBC12780","682126","Present",NA,NA
+"12781","2,5-Dimethyl-5-phenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethyl-5-phenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one",NA,"CC1=NC(=O)C(N1CCC2=CC=CC=C2)(C)C3=CC=CC=C3","UEYIERRKYIZCGI-UHFFFAOYSA-N",387714,NA,"PDBC12781","681743","Present",NA,NA
+"12782","2,5-Dimethyl-6,7,8,8a-tetraphenyl-2,3-dihydro-1(8aH)-indolizinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethyl-6,7,8,8a-tetraphenyl-2,3-dihydro-1(8aH)-indolizinone",NA,"CC1CN2C(=C(C(=C(C2(C1=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C","FAKMIAZIJZGHPT-UHFFFAOYSA-N",367861,NA,"PDBC12782","638028","Present",NA,NA
+"12783","2,5-Dimethyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine",NA,"CC1=NC2=CN(N=C(C2=N1)SC)C","GZHONZPRZPQLKN-UHFFFAOYSA-N",391420,NA,"PDBC12783","690592","Present",NA,NA
+"12784","2,5-Dimethyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dimethyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one",NA,"CC1=C2C(=C(N1)C3=CC=CC=C3)N=C(OC2=O)C","ABOYUJYHSRKRAH-UHFFFAOYSA-N",384423,NA,"PDBC12784","674200","Present",NA,NA
+"12785","2,5-Dimethyl-N-(4-methylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL405613",NA,"CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C)C","RXODHAOSXMZWRZ-UHFFFAOYSA-N",241732,NA,"PDBC12785","49565","Present",NA,NA
+"12786","2,5-Diphenyl-1,4-dithiin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Diphenyl-1,4-dithiin",NA,"C1=CC=C(C=C1)C2=CSC(=CS2)C3=CC=CC=C3","HHRGXOGBUBSFLD-UHFFFAOYSA-N",245172,NA,"PDBC12786","56805","Present",NA,NA
+"12787","2,5-Diphenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Diphenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline",NA,"C1C(=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4)C5=CC=CC=C5","ALCAMMCRKMYAHH-UHFFFAOYSA-N",399102,NA,"PDBC12787","709518","Present",NA,NA
+"12788","2,5-Diphenyl-3,4-dihydrodiazocino[5,6-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Diphenyl-3,4-dihydrodiazocino[5,6-b]quinoxaline",NA,"C1=CC=C(C=C1)C2=CC3=NC4=CC=CC=C4N=C3C=C(NN2)C5=CC=CC=C5","WBJFQJHFRJFRRJ-UHFFFAOYSA-N",439049,NA,"PDBC12788","707083","Present",NA,NA
+"12789","2,5-Diphenyl-3-methyl-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-4-oxo-3,7-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=CC=C3)C#N)C4=CC=CC=C4","BBWVFXGUFCHDFF-UHFFFAOYSA-N",398640,NA,"PDBC12789","708790","Present",NA,NA
+"12790","2,5-Diphenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Diphenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"C1CC2C(CC1C3=CC=CC=C3)C4C(C5=C2C6=CC=CC=C6N5)C(=O)N(C4=O)C7=CC=CC=C7","YKOVYEGTSACEOH-UHFFFAOYSA-N",362440,NA,"PDBC12790","626389","Present",NA,NA
+"12791","2,5-Diphenyl-4H-1,3-thiazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Diphenyl-4H-1,3-thiazin-4-one",NA,"C1=CC=C(C=C1)C2=CSC(=NC2=O)C3=CC=CC=C3","UIWONWUWDYJFOI-UHFFFAOYSA-N",370905,NA,"PDBC12791","644643","Present",NA,NA
+"12792","2,5-Dipyridin-2-yl-1,3,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Dipyridin-2-yl-1,3,4-thiadiazole",NA,"C1=CC=NC(=C1)C2=NN=C(S2)C3=CC=CC=N3","BGORQFGAWSNEBU-UHFFFAOYSA-N",267294,NA,"PDBC12792","106461","Present",NA,NA
+"12793","2,5-Dipyrrolizino-5H-[1]benzopyrano[4,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Di(pyrrolidin-1-yl)-5h-chromeno[4,3-d]pyrimidine",NA,"C1CCN(C1)C2C3=CN=C(N=C3C4=CC=CC=C4O2)N5CCCC5","UXKPJNPPAFBDIM-UHFFFAOYSA-N",403283,NA,"PDBC12793","717978","Present",NA,NA
+"12794","2,5-Methano-1H-[1,3]diazepino[1,2-a]benzimidazole, 2,3,4,5-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Methano-1H-[1,3]diazepino[1,2-a]benzimidazole, 2,3,4,5-tetrahydro-",NA,"C1CC2CC1NC3=NC4=CC=CC=C4N23","XNFOQALYCRDBLT-UHFFFAOYSA-N",379472,NA,"PDBC12794","664026","Present",NA,NA
+"12795","2,5-Methano-5H,7H-pyrimido[6,1-b][1,5,3]dioxazepine-7,9(8H)-dione, 2,3-dihydro-11-hydroxy-3-(hydroxymethyl)-10-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Hydroxy-10-(hydroxymethyl)-6-methyl-8,11-dioxa-2,4-diazatricyclo[7.2.1.02,7]dodec-6-ene-3,5-dione",NA,"CC1=C2N(C3C(C(O2)C(O3)CO)O)C(=O)NC1=O","SZLOGICZRVBRQC-UHFFFAOYSA-N",375574,NA,"PDBC12795","655363","Present",NA,NA
+"12796","2,5-Methano-7H-inden-7-one, 6-diazooctahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Methano-7H-inden-7-one, 6-diazooctahydro-",NA,"C1C2CC3CC1C(C2)C(=O)C3=[N+]=[N-]","CDKYCXBMVDJPOJ-UHFFFAOYSA-N",372959,NA,"PDBC12796","648746","Present",NA,NA
+"12797","2,5-Pentanediylbis(oxy-1,2-phenylene)]bis-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC741912",NA,"C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)OCCCCCOC4=CC=CC=C4C5=NC6=CC=CC=C6N5","HXJQVIKMURPMLM-UHFFFAOYSA-N",25255578,NA,"PDBC12797","741912","Present",NA,NA
+"12798","2,5-Piperazinedione, 1-[[1-(2-pyrrolidinylcarbonyl)-2-pyrrolidinyl]carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Piperazinedione, 1-[[1-(2-pyrrolidinylcarbonyl)-2-pyrrolidinyl]carbonyl]-",NA,"C1CC(NC1)C(=O)N2CCCC2C(=O)N3CC(=O)NCC3=O","CEIVBWRYMQRQJR-UHFFFAOYSA-N",381836,NA,"PDBC12798","668909","Present",NA,NA
+"12799","2,5-Piperazinedithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dithiopiperazine",NA,"C1C(=S)NCC(=S)N1","WZZNXLLUTNONRL-UHFFFAOYSA-N",3004056,NA,"PDBC12799","624856","Present",NA,NA
+"12800","2,5-Pyrimidinetriamine, 6-chloro-N(4)-[[3-(3-phenylpropyl)-1-(hydroxymethyl)cyclobutyl]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,5-Pyrimidinetriamine, 6-chloro-N(4)-[[3-(3- phenylpr...",NA,"C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)CCCC3=CC=CC=C3.Cl","RJWXBJRXWNQZFG-UHFFFAOYSA-N",393616,NA,"PDBC12800","695806","Present",NA,NA
+"12801","2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Pyrrolidinedione, 1-[(2-phenoxathiinylamino)methyl]-",NA,"C1CC(=O)N(C1=O)CNC2=CC3=C(C=C2)OC4=CC=CC=C4S3","OATLCDUIEUHONI-UHFFFAOYSA-N",398018,NA,"PDBC12801","707091","Present",NA,NA
+"12802","2,5-Tri-O-acetyl-1-S-dimethylarsino-1-thio-D-ribose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,5-tri-O-acetyl-1-S-dimethylarsino-1-thio-D-ribose",NA,"CC(=O)OCC1C(C(C(O1)S[As](C)C)OC(=O)C)OC(=O)C","SADBBJNFJLFSMU-UHFFFAOYSA-N",24203221,NA,"PDBC12802","727220","Present",NA,NA
+"12803","2,5-bis(6'-bromo-3'-indolyl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-bis(6'-bromo-3'-indolyl)piperazine",NA,"C1C(NCC(N1)C2=CNC3=C2C=CC(=C3)Br)C4=CNC5=C4C=CC(=C5)Br","MWNHJASCQSIGAO-FIWHBWSRSA-N",6711899,NA,"PDBC12803","646024","Present",NA,NA
+"12804","2,5:6,8-Tri-O-isopropylidene-alpha-L-xylo-D-threo-oct-4-ulo-4,7-furanose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3:4,5:6,8-Tri-O-isopropylidene-.alpha.-L-xylo-D-threo-...",NA,"CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C4C(OC(O4)(C)C)CO)C","AEXMLOVBBGJYHK-HNXNKRHBSA-N",395854,NA,"PDBC12804","700857","Present",NA,NA
+"12805","2,5:6,8-Tri-O-isopropylidene-alpha-L-xylo-L-threo-oct-4-ulo-4,7-furanose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3:4,5:6,8-Tri-O-isopropylidene-.alpha.-L-xylo-L-threo-...",NA,"CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C4C(OC(O4)(C)C)CO)C","AEXMLOVBBGJYHK-QWIAZOOFSA-N",395853,NA,"PDBC12805","700856","Present",NA,NA
+"12806","2,5a-Dihydroxychromeno[2,3-b]chromen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5a-Dihydroxychromeno[2,3-b]chromen-12-one",NA,"C1=CC=C2C(=C1)C=C3C(=O)C4=C(C=CC(=C4)O)OC3(O2)O","JNGVFEDIMXTEJH-UHFFFAOYSA-N",388321,NA,"PDBC12806","683056","Present",NA,NA
+"12807","2,6,11,15,20,24-Hexathia-8,9,17,18,26,27-hexazatetracyclo[23.2.2.27,10.216,19]tritriaconta-1(27),7,9,16,18,25,28,30,32-nonaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,11,15,20,24-Hexathia-8,9,17,18,26,27-hexazatetracyclo[23.2.2.27,10.216,19]tritriaconta-1(27),7,9,16,18,25,28,30,32-nonaene",NA,"C1CSC2=NN=C(C=C2)SCCCSC3=NN=C(C=C3)SCCCSC4=NN=C(C=C4)SC1","MZONCMATLKIPSM-UHFFFAOYSA-N",380479,NA,"PDBC12807","666079","Present",NA,NA
+"12808","2,6,11,15-Tetrathia-8,9,17,18-tetrazatricyclo[14.2.2.27,10]docosa-1(18),7,9,16,19,21-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,11,15-Tetrathia-8,9,17,18-tetrazatricyclo[14.2.2.27,10]docosa-1(18),7,9,16,19,21-hexaene",NA,"C1CSC2=NN=C(C=C2)SCCCSC3=NN=C(C=C3)SC1","OVRBXEVUIIIJNU-UHFFFAOYSA-N",380480,NA,"PDBC12808","666080","Present",NA,NA
+"12809","2,6,12,16-Tetrakis[(2,4,6-trimethylphenyl)sulfonyl]-1,7,11,17-tetraoxa-2,6,12,16-tetrazacycloicosane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,12,16-Tetrakis[(2,4,6-trimethylphenyl)sulfonyl]-1,7,11,17-tetraoxa-2,6,12,16-tetrazacycloicosane",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCN(OCCCON(CCCN(OCCCO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)S(=O)(=O)C4=C(C=C(C=C4C)C)C)S(=O)(=O)C5=C(C=C(C=C5C)C)C)C","ODPAHDDTSVFCSQ-UHFFFAOYSA-N",397943,NA,"PDBC12809","707022","Present",NA,NA
+"12810","2,6,14,18-Tetrazatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,14,18-Tetrazatricyclo[17.5.0.07,13]tetracosa-1,6,8,10,12,19,21,23-octaene",NA,"C1CNC2=CC=CC=CC2=NCCCN=C3C=CC=CC=C3NC1","AHHZSEKYEKCZIA-UHFFFAOYSA-N",358339,NA,"PDBC12810","618304","Present",NA,NA
+"12811","2,6,14-Trimethyl-10-methylene-9-(3-methyl-pent-4-enyl)-pentadeca-2,6-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,10,14-trimethyl-6-methylene-7-(3'-methylpent-1'enyl)pe...",NA,"CC(C)CCCC(=C)C(CCC(C)C=C)CC=C(C)CCC=C(C)C","QNCOYEQQDOUCMW-HAVVHWLPSA-N",5471131,NA,"PDBC12811","708945","Present",NA,NA
+"12812","2,6,14-Trimethyl-10-methylene-9-(3-methylpent-4-enyl)-pentadec-6E-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,10,14-trimethyl-6-methylene-7-(3'-methylpent-1'-enyl) ...",NA,"CC(C)CCCC(=CCC(CCC(C)C=C)C(=C)CCCC(C)C)C","BSXYLMVBPPIDSG-HAVVHWLPSA-N",5471130,NA,"PDBC12812","708944","Present",NA,NA
+"12813","2,6,3,5-Ethanediylidenepentaleno(1,6-bc)pyrrole-2,6a(1H,2aH)-diamine, hexahydro-N,N',1-tris(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,3,5-Ethanediylidenepentaleno[1,6-bc]pyrrole- 2,6a(1H...",NA,"C1C2C3C4C1C5C2C6(C3C4C5(N6CC7=CC=CC=C7)NCC8=CC=CC=C8)NCC9=CC=CC=C9","XJBLVGYTMDTSJO-KDXRBOGYSA-N",385839,NA,"PDBC12813","677236","Present",NA,NA
+"12814","2,6,6-Trichloro-7-methylimidazo[1,2-a]pyrimidin-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,6-Trichloro-7-methylimidazo[1,2-a]pyrimidin-5(6H)-one",NA,"CC1=NC2=NC(=CN2C(=O)C1(Cl)Cl)Cl","WGQGXLXAMSHIJO-UHFFFAOYSA-N",379150,NA,"PDBC12814","663551","Present",NA,NA
+"12815","2,6,6-Trimethyltetrahydropyran-2,5-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cineolic acid",NA,"CC1(C(CCC(O1)(C)C(=O)O)C(=O)O)C","KTSCHRREMZDLIP-UHFFFAOYSA-N",392705,NA,"PDBC12815","693422","Present",NA,NA
+"12816","2,6,7-Tetrabromo-3,7-dimethyl-1-octanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6,7-tetrabromo-3,7-dimethyl-1-octanol",NA,"CC(C)(C(CCC(C)(C(CO)Br)Br)Br)Br","KNNMIDQUZTUBJU-UHFFFAOYSA-N",379049,NA,"PDBC12816","662819","Present",NA,NA
+"12817","2,6,7-Tetramethoxy-12,12a-dihydro-9H,11H-9a-aza-cyclopenta[b]triphenylene-10,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6,7-Tetramethoxy-12,12a-dihydro-9H,11H-9a-aza-cyclop...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC(=C(C=C24)OC)OC)C(=O)C5CCC(=O)N5C3)OC","OFQHMVDOZPGFQM-UHFFFAOYSA-N",400635,NA,"PDBC12817","712822","Present",NA,NA
+"12818","2,6,7-Trichloro-7-methyl-3-methylideneoct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,7-Trichloro-7-methyl-3-methylideneoct-1-ene",NA,"CC(C)(C(CCC(=C)C(=C)Cl)Cl)Cl","DMHZLBNRKGXNIJ-UHFFFAOYSA-N",382931,NA,"PDBC12818","670808","Present",NA,NA
+"12819","2,6,7-Trihydroxy-9-methylxanthen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,7-trihydroxy-9-methyl-3H-xanthen-3-one",NA,"CC1=C2C=C(C(=O)C=C2OC3=CC(=C(C=C13)O)O)O","TZVNNUHRZXQCHM-UHFFFAOYSA-N",72721,NA,"PDBC12819","5426","Present",NA,NA
+"12820","2,6,9,13-Tetrathiabicyclo[12.4.0]octadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,9,13-Tetrathiabicyclo[12.4.0]octadecane",NA,"C1CCC2C(C1)SCCCSCCSCCCS2","FXFGLYRNCVPDND-UHFFFAOYSA-N",373827,NA,"PDBC12820","650790","Present",NA,NA
+"12821","2,6,9a-Triaza-9aH-benz[cd]azulene-7,9(6H,8H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,9-Triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraene-10,12-dione",NA,"C1C(=O)NC2=CC=CC3=C2N(C1=O)C=N3","BZXHCOXTFOFMPI-UHFFFAOYSA-N",393555,NA,"PDBC12821","695625","Present",NA,NA
+"12822","2,6-Bis((2-aminophenyl)thio)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis((2-aminophenyl)thio)benzonitrile",NA,"C1=CC=C(C(=C1)N)SC2=C(C(=CC=C2)SC3=CC=CC=C3N)C#N","SGIVCRZHRFMBSI-UHFFFAOYSA-N",386900,NA,"PDBC12822","679800","Present",NA,NA
+"12823","2,6-Bis(1-phenylethylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(1-phenylethylidene)cyclohexanone",NA,"CC(=C1CCCC(=C(C)C2=CC=CC=C2)C1=O)C3=CC=CC=C3","KSRIHQAATHFAEP-NWILIBCHSA-N",3004411,NA,"PDBC12823","650962","Present",NA,NA
+"12824","2,6-Bis(2-(2-(hydroxymethyl)phenyl)ethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(2-(2-(hydroxymethyl)phenyl)ethyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone",NA,"C1=CC=C(C(=C1)CCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CCC5=CC=CC=C5CO)CO","KLHHGVWDOVNNIB-UHFFFAOYSA-N",374805,NA,"PDBC12824","653142","Present",NA,NA
+"12825","2,6-Bis(2-chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(2-chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)cyclohexanone",NA,"C1CC(C(=O)C(C1)C(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","QKONRKQREILPSO-UHFFFAOYSA-N",377632,NA,"PDBC12825","659211","Present",NA,NA
+"12826","2,6-Bis(2-hydroxy-3-methyl-5-tert-butylbenzyl)-4-tert-butylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(2-hydroxy-3-methyl-5-tert-butylbenzyl)-4-tert-butylphenol",NA,"CC1=CC(=CC(=C1O)CC2=CC(=CC(=C2O)CC3=C(C(=CC(=C3)C(C)(C)C)C)O)C(C)(C)C)C(C)(C)C","NMNJJUOTJDCEPR-UHFFFAOYSA-N",366256,NA,"PDBC12826","634604","Present",NA,NA
+"12827","2,6-Bis(2-phenylethyl)-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-dioxo-2,6-diphenethyl-1,2,6-thiadiazinane-3,5-dione",NA,"C1C(=O)N(S(=O)(=O)N(C1=O)CCC2=CC=CC=C2)CCC3=CC=CC=C3","PVYWPEOGKAMSAS-UHFFFAOYSA-N",374621,NA,"PDBC12827","652590","Present",NA,NA
+"12828","2,6-Bis(3,4-dihydroxybenzylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RDS-1158",NA,"C1CC(=CC2=CC(=C(C=C2)O)O)C(=O)C(=CC3=CC(=C(C=C3)O)O)C1","JZODVJPLOFJTJZ-VOMDNODZSA-N",5467476,NA,"PDBC12828","652890","Present",NA,NA
+"12829","2,6-Bis(3,4-dimethoxybenzylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Go-Y032",NA,"COC1=C(C=C(C=C1)C=C2CCCC(=CC3=CC(=C(C=C3)OC)OC)C2=O)OC","YOTDZZKBJHGVNA-KLCVKJMQSA-N",1714173,NA,"PDBC12829","751465","Present",NA,NA
+"12830","2,6-Bis(3-ethylureido)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(3-ethylureido)pyridine",NA,"CCNC(=O)NC1=NC(=CC=C1)NC(=O)NCC","NBUKIZFUAZCWKD-UHFFFAOYSA-N",376252,NA,"PDBC12830","656959","Present",NA,NA
+"12831","2,6-Bis(3-isocyanato-4-methylphenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(3-isocyanato-4-methylphenyl)-1,5-bis(4-methoxyphenyl)-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione",NA,"CC1=C(C=C(C=C1)N2C(N3C(=O)N(C(N3C2=O)C4=CC=C(C=C4)OC)C5=CC(=C(C=C5)C)N=C=O)C6=CC=C(C=C6)OC)N=C=O","VOIIMXSUAHAOAY-UHFFFAOYSA-N",386659,NA,"PDBC12831","679185","Present",NA,NA
+"12832","2,6-Bis(4-chlorobenzylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC54916",NA,"C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","MNFGLQYSNLSOHP-UNZYHPAISA-N",1551008,NA,"PDBC12832","54916","Present",NA,NA
+"12833","2,6-Bis(4-fluoro-3-(hydroxy(oxido)amino)phenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(4-fluoro-3-nitrophenyl)-1,5-bis(4-methoxyphenyl)-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione",NA,"COC1=CC=C(C=C1)C2N(C(=O)N3N2C(=O)N(C3C4=CC=C(C=C4)OC)C5=CC(=C(C=C5)F)[N+](=O)[O-])C6=CC(=C(C=C6)F)[N+](=O)[O-]","GLCKNHHVKAHVQM-UHFFFAOYSA-N",387872,NA,"PDBC12833","682087","Present",NA,NA
+"12834","2,6-Bis(4-fluorophenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(4-fluorophenyl)-3,7-bis(4-methoxyphenyl)tetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione",NA,"COC1=CC=C(C=C1)C2N(C(=O)N3N2C(=O)N(C3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)F)C6=CC=C(C=C6)F","AUEFFOBBENIKBB-UHFFFAOYSA-N",387871,NA,"PDBC12834","682086","Present",NA,NA
+"12835","2,6-Bis(4-hydroxy-3-(1-piperidinylmethyl)benzylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(4-hydroxy-3-(1-piperidinylmethyl)benzylidene)cyclohexanone",NA,"C1CCN(CC1)CC2=C(C=CC(=C2)C=C3CCCC(=CC4=CC(=C(C=C4)O)CN5CCCCC5)C3=O)O","RQRCECSLBNENFG-BFNWXZRRSA-N",6052863,NA,"PDBC12835","683833","Present",NA,NA
+"12836","2,6-Bis(4-methoxyphenyl)-3,5-dimethyl-1-nitroso-4-piperidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 2,6-bis(4-methoxyphenyl)-3,5-dimethyl- 1...",NA,"CC1C(N(C(C(C1=O)C)C2=CC=C(C=C2)OC)N=O)C3=CC=C(C=C3)OC","KYFMXVBBZSFPFK-UHFFFAOYSA-N",362604,NA,"PDBC12836","626734","Present",NA,NA
+"12837","2,6-Bis(4-methoxyphenyl)-3,5-dimethylpiperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_007937",NA,"CC1C(NC(C(C1=O)C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC","RVYZVGKIODSCSZ-UHFFFAOYSA-N",367137,NA,"PDBC12837","636588","Present",NA,NA
+"12838","2,6-Bis(4-methoxyphenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(4-methoxyphenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide",NA,"COC1=CC=C(C=C1)C2=NN(C[N+](=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4.[Br-]","DVWWYBZQHHGIHW-UHFFFAOYSA-M",376161,NA,"PDBC12838","656674","Present",NA,NA
+"12839","2,6-Bis(4-methylsulfonylphenyl)-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(4-methylsulfonylphenyl)-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol",NA,"CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC(=C(C(=C4)C5=CC=C(C=C5)S(=O)(=O)C)[O-])C6=CC=C(C=C6)S(=O)(=O)C)C7=CC=C(C=C7)S(=O)(=O)C","DZDWXVZMWRRQTJ-UHFFFAOYSA-N",370127,NA,"PDBC12839","642719","Present",NA,NA
+"12840","2,6-Bis(6-isocyanatohexyl)-3,7-diphenyltetrahydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(6-isocyanatohexyl)-1,5-diphenyl-1,5-dihydro-[1,2,4]triazolo[1,2-a][1,2,4]triazole-3,7-dione",NA,"C1=CC=C(C=C1)C2N(C(=O)N3N2C(=O)N(C3C4=CC=CC=C4)CCCCCCN=C=O)CCCCCCN=C=O","QRTFPCQLDITABX-UHFFFAOYSA-N",386658,NA,"PDBC12840","679184","Present",NA,NA
+"12841","2,6-Bis(S)-4-isopropyloxazolin-2-ylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649113",NA,"CC(C)C1COC(=N1)C2=NC(=CC=C2)C3=NC(CO3)C(C)C","CSGQGLBCAHGJDR-GICMACPYSA-N",373165,NA,"PDBC12841","649113","Present",NA,NA
+"12842","2,6-Bis(benzylamino)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(benzylamino)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile",NA,"C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC(=CC=C4)O)C#N","XGQDMYPMBALAAI-UHFFFAOYSA-N",11553772,NA,"PDBC12842","734406","Present",NA,NA
+"12843","2,6-Bis(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile",NA,"C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C#N","PMRFLLWOUDZIAB-UHFFFAOYSA-N",11503312,NA,"PDBC12843","734409","Present",NA,NA
+"12844","2,6-Bis(benzylamino)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(benzylamino)-4-(4-hydroxyphenyl)pyridine-3,5-dicarbonitrile",NA,"C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)NCC3=CC=CC=C3)C#N)C4=CC=C(C=C4)O)C#N","JVPMXDXWDCXZEY-UHFFFAOYSA-N",135453114,NA,"PDBC12844","734407","Present",NA,NA
+"12845","2,6-Bis(bromomethyl)-3-methyl-7H-imidazo[4,5-g]quinazoline-4,8,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(bromomethyl)-3-methyl-7H-imidazo[4,5-g]quinazoline-4,8,9-trione",NA,"CN1C(=NC2=C1C(=O)C3=C(C2=O)C(=O)NC(=N3)CBr)CBr","MQCJZNXFIZZJBD-UHFFFAOYSA-N",135503401,NA,"PDBC12845","622242","Present",NA,NA
+"12846","2,6-Bis(ethylaminoacetylamino)-9,10-anthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis(ethylaminoacetylamino)-9,10-anthraquinone",NA,"CCNCC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CNCC","OWIKGBYLJUIGMT-UHFFFAOYSA-N",355146,NA,"PDBC12846","608329","Present",NA,NA
+"12847","2,6-Bis(piperidin-1-ylmethyl)cyclohexan-1-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650464",NA,"C1CCN(CC1)CC2CCCC(C2=O)CN3CCCCC3.Br","IDZROKRVSDXGNW-UHFFFAOYSA-N",373669,NA,"PDBC12847","650464","Present",NA,NA
+"12848","2,6-Bis(piperidin-1-ylmethyl)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanone, 2,6-bis(piperidinomethyl)-",NA,"C1CCN(CC1)CC2CCCC(C2=O)CN3CCCCC3","UZXQQNLALYSWNF-UHFFFAOYSA-N",236587,NA,"PDBC12848","39202","Present",NA,NA
+"12849","2,6-Bis-(4-bromo-benzylidene)-cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632831",NA,"C1CC(=CC2=CC=C(C=C2)Br)C(=O)C(=CC3=CC=C(C=C3)Br)C1","HXRSOYCNABLYMF-UNZYHPAISA-N",5716584,NA,"PDBC12849","632831","Present",NA,NA
+"12850","2,6-Bis-(4-chloro-phenyl)-1-cyano-4-oxo-cyclohexanecarboxyli c acid amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis-(4-chloro-phenyl)-1-cyano-4-oxo-cyclohexanecarbo...",NA,"C1C(C(C(CC1=O)C2=CC=C(C=C2)Cl)(C#N)C(=O)N)C3=CC=C(C=C3)Cl","KNGMLVWHXKFMFO-UHFFFAOYSA-N",12423518,NA,"PDBC12850","737603","Present",NA,NA
+"12851","2,6-Bis-(dimethylaminomethyl)-cyclohexanone dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC38525///Cyclohexanone, 2,6-bis[(dimethylamino)methyl]-, dihydroc...",NA,"CN(C)CC1CCCC(C1=O)CN(C)C.Cl","JKDMLBMSEBGSQF-UHFFFAOYSA-N",358899,NA,"PDBC12851","38525///619042","Present",NA,NA
+"12852","2,6-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,7,2,6-dioxadiazecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis[(2,4,6-trimethylphenyl)sulfonyl]-1,7,2,6-dioxadiazecane",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCCN(OCCCO2)S(=O)(=O)C3=C(C=C(C=C3C)C)C)C","IJDFHHUKCZWKGH-UHFFFAOYSA-N",397946,NA,"PDBC12852","707024","Present",NA,NA
+"12853","2,6-Bis[(2-isopropylphenyl)sulfanylmethyl]pyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis[(2-isopropylphenyl)sulfanylmethyl]pyran-4-one",NA,"CC(C)C1=CC=CC=C1SCC2=CC(=O)C=C(O2)CSC3=CC=CC=C3C(C)C","JYBQFOGVZKQGNA-UHFFFAOYSA-N",396679,NA,"PDBC12853","703193","Present",NA,NA
+"12854","2,6-Bis[(3,5-dichloro-2-hydroxyphenyl)methyl]-4-pentan-2-ylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis[(3,5-dichloro-2-hydroxyphenyl)methyl]-4-pentan-2-ylphenol",NA,"CCCC(C)C1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)Cl)Cl)O)O)CC3=C(C(=CC(=C3)Cl)Cl)O","CXRWSMYCZWHYIS-UHFFFAOYSA-N",222841,NA,"PDBC12854","9771","Present",NA,NA
+"12855","2,6-Bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-4-one",NA,"C1=CC(=C(C=C1C=CC2=CC(=O)C=C(O2)C=CC3=CC(=C(C=C3)O)O)O)O","FAOXYWQUAVURJX-IJIVKGSJSA-N",5470602,NA,"PDBC12855","703329","Present",NA,NA
+"12856","2,6-Bis[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]pyran-4-one",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=O)C=C(O2)C=CC3=CC(=C(C=C3)OC)O)O","BLYXQHHQYFJRHU-FCXRPNKRSA-N",5470601,NA,"PDBC12856","703328","Present",NA,NA
+"12857","2,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-4-one",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=O)C=C(O2)C=CC3=CC(=C(C=C3)O)OC)O","LEIAGYMDVSHOKS-FCXRPNKRSA-N",5470600,NA,"PDBC12857","703327","Present",NA,NA
+"12858","2,6-Bis[(dimethylamino)methyl]-4-phenyldiazenylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674081",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)N=NC2=CC=CC=C2.Cl","GKWXPXZBVDCSPM-UHFFFAOYSA-N",384371,NA,"PDBC12858","674081","Present",NA,NA
+"12859","2,6-Bis[(dimethylamino)methyl]pyridin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_002008",NA,"CN(C)CC1=NC(=C(C=C1)O)CN(C)C","OYTNPZVGHDQVGL-UHFFFAOYSA-N",252256,NA,"PDBC12859","73721","Present",NA,NA
+"12860","2,6-Bis[1-(3-ethylthioureidoimino)ethyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis[1-(3-ethylthioureidoimino)ethyl]pyridine",NA,"CCNC(=S)NN=C(C)C1=NC(=CC=C1)C(=NNC(=S)NCC)C","ZINONERQPCFXDA-PZRYXVKFSA-N",6393657,NA,"PDBC12860","668337","Present",NA,NA
+"12861","2,6-Bis[1-(4,4-hexamethylenethiosemicarbazono)ethyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668340",NA,"CC(=NNC(=S)N1CCCCCC1)C2=NC(=CC=C2)C(=NNC(=S)N3CCCCCC3)C","UQSMXYHBKUMSSI-HSLKWFPPSA-N",5921605,NA,"PDBC12861","668340","Present",NA,NA
+"12862","2,6-Bis[2-(2-pyridyl)vinyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-di-[2(pyridin-2-yl)vinyl]pyridine",NA,"C1=CC=NC(=C1)C=CC2=NC(=CC=C2)C=CC3=CC=CC=N3","NDHWGFRYHPLFFF-DCIPZJNNSA-N",5471826,NA,"PDBC12862","714205","Present",NA,NA
+"12863","2,6-Bis[2-(2-thiazolyl)vinyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-di-[2[(thiazol-2-yl)vinyl]pyridine",NA,"C1=CC(=NC(=C1)C=CC2=NC=CS2)C=CC3=NC=CS3","OAYAWQJSOHKFOG-YDFGWWAZSA-N",5471827,NA,"PDBC12863","714206","Present",NA,NA
+"12864","2,6-Bis[2-(dimethylamino)ethyl]-1,2,6,7a-tetraaza-2H-benzo[fg]aceanthrylene-5,7(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,16-Bis[2-(dimethylamino)ethyl]-1,9,10,16-tetrazapentacyclo[9.6.2.02,7.08,19.014,18]nonadeca-2,4,6,8,11(19),12,14(18)-heptaene-15,17-dione",NA,"CN(C)CCN1C2=C3C4=C(C=C2)C(=O)N(C(=O)N4C5=CC=CC=C5C3=N1)CCN(C)C","MHKVVLLUWFCOIB-UHFFFAOYSA-N",399629,NA,"PDBC12864","710546","Present",NA,NA
+"12865","2,6-Bis[3-(dimethylamino)propenoyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-400081",NA,"CN(C)C=CC(=O)C1=NC(=CC=C1)C(=O)C=CN(C)C","SGWRTZRVJHNLMG-GFULKKFKSA-N",5467331,NA,"PDBC12865","650750","Present",NA,NA
+"12866","2,6-Bis[3-[bis(2-hydroxyethyl)amino]propanoylamino]anthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis[3-[bis(2-hydroxyethyl)amino]propanoylamino]anthraquinone",NA,"C1=CC2=C(C=C1NC(=O)CCN(CCO)CCO)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCN(CCO)CCO","MPSGDMIVOLXXBP-UHFFFAOYSA-N",374318,NA,"PDBC12866","651843","Present",NA,NA
+"12867","2,6-Bis[3-methoxy-4-(glycidyloxy)benzylidene]cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Bis[3-methoxy-4-(glycidyloxy)benzylidene]cyclohexanone",NA,"COC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)OCC4CO4)OC)C2=O)OCC5CO5","BFRORTLKQWFNHQ-CLVAPQHMSA-N",54610991,NA,"PDBC12867","309802","Present",NA,NA
+"12868","2,6-Cyclolycopene-1,5-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Cyclolycopene-1,5-diol",NA,"CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1C(CCC1(C)O)C(C)(C)O)C)C)C)C","VDFVQEJGOSCZNZ-UJTOCDJDSA-N",5471693,NA,"PDBC12868","713076","Present",NA,NA
+"12869","2,6-DI-Tert-butyl-4-chromen-2-ylidene-cyclohexa-2,5-dienone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-DI-Tert-butyl-4-chromen-2-ylidene-cyclohexa-2,5-dienone",NA,"CC(C)(C)C1=CC(=C2C=CC3=CC=CC=C3O2)C=C(C1=O)C(C)(C)C","JYHOJXQWJVKCCQ-UHFFFAOYSA-N",398888,NA,"PDBC12869","709109","Present",NA,NA
+"12870","2,6-Di(2-furyl)-3,5-dimethyl-1-nitroso-4-piperidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Di(2-furyl)-3,5-dimethyl-1-nitroso-4-piperidinone",NA,"CC1C(N(C(C(C1=O)C)C2=CC=CO2)N=O)C3=CC=CO3","YHEHAAHKVKLCTO-UHFFFAOYSA-N",362609,NA,"PDBC12870","626739","Present",NA,NA
+"12871","2,6-Di-[2-(furan-2-yl)vinyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-di-[2-(furan-2-yl)vinyl]pyridine",NA,"C1=CC(=NC(=C1)C=CC2=CC=CO2)C=CC3=CC=CO3","VBUKZZMUUHZWFU-GFULKKFKSA-N",5471824,NA,"PDBC12871","714203","Present",NA,NA
+"12872","2,6-Di-[2-(thien-2-yl)vinyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-di-[2-(thien-2-yl)vinyl]pyridine",NA,"C1=CC(=NC(=C1)C=CC2=CC=CS2)C=CC3=CC=CS3","WOMJNQNGCSLNRB-GFULKKFKSA-N",5471825,NA,"PDBC12872","714204","Present",NA,NA
+"12873","2,6-Di-tert-butyl-4-(5,6-dimethyl-1H-benzimidazol-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 4-(5,6-dimethyl-1H-benzimidazol-2-yl)- 2,6-bis(1...",NA,"CC1=CC2=C(C=C1C)N=C(N2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C","LGALTZSPBITHOW-UHFFFAOYSA-N",401977,NA,"PDBC12873","715664","Present",NA,NA
+"12874","2,6-Di-tert-butyl-4-(5-phenyl-2-pyrazoline-3-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Di-tert-butyl-4-(5-phenyl-2-pyrazoline-3-yl)phenol",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NNC(C2)C3=CC=CC=C3","PETUJRIUSTWSAR-UHFFFAOYSA-N",398890,NA,"PDBC12874","709111","Present",NA,NA
+"12875","2,6-Di-tert-butyl-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-(7-methyl-6-morpholino-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)C(C)(C)C)O)C(C)(C)C","SICREJOSBMSSEJ-UHFFFAOYSA-N",380584,NA,"PDBC12875","666234","Present",NA,NA
+"12876","2,6-Diamino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]hexan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Diamino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]hexan-1-one",NA,"C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)C(=O)C(CCCCN)N","JQJVTGFOYVLQQW-UHFFFAOYSA-N",403195,NA,"PDBC12876","717849","Present",NA,NA
+"12877","2,6-Diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-diamino-4-(2-methoxyphenyl)-4H-thiopyran-3,5-dicarbo...",NA,"COC1=CC=CC=C1C2C(=C(SC(=C2C#N)N)N)C#N","KTCJWBXMBLYHNZ-UHFFFAOYSA-N",694051,NA,"PDBC12877","737795","Present",NA,NA
+"12878","2,6-Diamino-4-cyclohexylmethoxypyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-diamino-4-cylohexylmethoxypyrimidine",NA,"C1CCC(CC1)COC2=NC(=NC(=C2)N)N","HFTATNPBYYGATN-UHFFFAOYSA-N",398147,NA,"PDBC12878","707615","Present",NA,NA
+"12879","2,6-Diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Diamino-5-(1H-imidazol-1-ylmethyl)-4-pyrimidinol",NA,"C1=CN(C=N1)CC2=C(N=C(NC2=O)N)N","NVBKABPAJGUMCE-UHFFFAOYSA-N",135403641,NA,"PDBC12879","87450","Present",NA,NA
+"12880","2,6-Diamino-6-phosphonohexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lysine, 6-phosphono-",NA,"C(CC(C(=O)O)N)CC(N)P(=O)(O)O","VSLQSQRRJBOXLA-UHFFFAOYSA-N",363915,NA,"PDBC12880","629304","Present",NA,NA
+"12881","2,6-Diamino-9-[2,6-dichlorobenzyl]purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2,6-dichlorobenzyl)-9H-purine-2,6-diamine",NA,"C1=CC(=C(C(=C1)Cl)CN2C=NC3=C(N=C(N=C32)N)N)Cl","SXLNMLQLYSFXSI-UHFFFAOYSA-N",334344,NA,"PDBC12881","339176","Present",NA,NA
+"12882","2,6-Diamino-9-benzylpurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-9-benzyladenine",NA,"C1=CC=C(C=C1)CN2C=NC3=C(N=C(N=C32)N)N","DRGHOMRXJSSSBT-UHFFFAOYSA-N",238930,NA,"PDBC12882","43534","Present",NA,NA
+"12883","2,6-Diamino-N-(2-((4-((2-((2,6-diaminohexanoyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Diamino-N-[2-[[4-[2-(2,6-diaminohexanoylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]hexanamide",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNC(=O)C(CCCCN)N)NCCNC(=O)C(CCCCN)N","ZOMIQYFGCVAWSW-UHFFFAOYSA-N",438922,NA,"PDBC12883","684438","Present",NA,NA
+"12884","2,6-Diamino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Diamino-N-[4-(6-fluoro-1,3-benzothiazol-2-yl)-2-methylphenyl]hexanamide;hydrochloride",NA,"CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)NC(=O)C(CCCCN)N.Cl","ZBDHJAYKDDOPIG-UHFFFAOYSA-N",399419,NA,"PDBC12884","710196","Present",NA,NA
+"12885","2,6-Diaminofuro[2,3-f]benzofuran-3,7-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Diamino-benzo[1,2-b",NA,"C1=C2C(=CC3=C1OC(=C3C#N)N)OC(=C2C#N)N","MEIAFCFJXTVGOG-UHFFFAOYSA-N",361814,NA,"PDBC12885","625131","Present",NA,NA
+"12886","2,6-Diaminopyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Diaminopyridine-3,5-dicarbonitrile",NA,"C1=C(C(=NC(=C1C#N)N)N)C#N","JSKRRQDSARSJTR-UHFFFAOYSA-N",377555,NA,"PDBC12886","659122","Present",NA,NA
+"12887","2,6-Dibenzyl-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dibenzyl-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7-tetrone",NA,"C1=CC=C(C=C1)CN2C(=O)N3C(=O)N(C(=O)N3C2=O)CC4=CC=CC=C4","JMSFJKOOPNHFJU-UHFFFAOYSA-N",391647,NA,"PDBC12887","691133","Present",NA,NA
+"12888","2,6-Dibenzylidenecyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC2384///NSC40618",NA,"C1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","CTKKGXDAWIAYSA-JSAVKQRWSA-N",1550330,NA,"PDBC12888","2384///40618","Present",NA,NA
+"12889","2,6-Dibromo-2',6'-dimethylbiphenyl-4,4'-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dibromo-2',6'-dimethylbiphenyl-4,4'-diamine",NA,"CC1=CC(=CC(=C1C2=C(C=C(C=C2Br)N)Br)C)N","HMWQYKGAJZEVGV-UHFFFAOYSA-N",238710,NA,"PDBC12889","43227","Present",NA,NA
+"12890","2,6-Dibromo-3-(bromomethyl)-3,7-dichloro-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dibromo-3-(bromomethyl)-3,7-dichloro-7-methyloct-1-ene",NA,"CC(C)(C(CCC(CBr)(C(=C)Br)Cl)Br)Cl","HFTFRDQDWSJWDM-UHFFFAOYSA-N",379561,NA,"PDBC12890","664243","Present",NA,NA
+"12891","2,6-Dibromo-4-((cyclohexyl(3,5-dibromo-4-hydroxybenzyl)amino)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dibromo-4-((cyclohexyl(3,5-dibromo-4-hydroxybenzyl)amino)methyl)phenol",NA,"C1CCC(CC1)N(CC2=CC(=C(C(=C2)Br)O)Br)CC3=CC(=C(C(=C3)Br)O)Br","PUMFEPYRTTZELK-UHFFFAOYSA-N",241475,NA,"PDBC12891","48873","Present",NA,NA
+"12892","2,6-Dibromo-4-[(E)-2-[2-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-4-yl]ethenyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dibromo-4-[(E)-2-[2-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-4-yl]ethenyl]phenol",NA,"C1=CN=C(C=C1C=CC2=CC(=C(C(=C2)Br)O)Br)C=CC3=CC(=C(C(=C3)Br)O)Br","DWINQWMCUFTLFI-MVJNYCIBSA-N",135436184,NA,"PDBC12892","711992","Present",NA,NA
+"12893","2,6-Dibromo-4-[(E)-2-[6-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dibromo-4-[(E)-2-[6-[(E)-2-(3,5-dibromo-4-hydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]phenol",NA,"C1=CC(=NC(=C1)C=CC2=CC(=C(C(=C2)Br)O)Br)C=CC3=CC(=C(C(=C3)Br)O)Br","JMPQADBLBNWFFC-YDFGWWAZSA-N",135436183,NA,"PDBC12893","711991","Present",NA,NA
+"12894","2,6-Dibromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purine, 2,6-dibromo-9-[2-deoxy- 3,5-O-bis(4-methylphe...",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Br)Br)OC5=CC=C(C=C5)C","ACKILDVYRDBSLO-UHFFFAOYSA-N",388059,NA,"PDBC12894","682520","Present",NA,NA
+"12895","2,6-Dibromo-p-benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-dibromoquinone",NA,"C1=C(C(=O)C(=CC1=O)Br)Br","FGHCYIPZQUMLRQ-UHFFFAOYSA-N",88175,NA,"PDBC12895","294731","Present",NA,NA
+"12896","2,6-Dichloro-4-(2,6-dichlorophenyl)-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dichloro-4-(2,6-dichlorophenyl)-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,"C1=CC(=C(C(=C1)Cl)C2C(=C(NC(=C2C#N)Cl)Cl)C#N)Cl","ZOXNVKSNIJFQRE-UHFFFAOYSA-N",366981,NA,"PDBC12896","636144","Present",NA,NA
+"12897","2,6-Dichloro-4-(4-chlorophenyl)-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dichloro-4-(4-chlorophenyl)-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,"C1=CC(=CC=C1C2C(=C(NC(=C2C#N)Cl)Cl)C#N)Cl","XZNNURDJIPWSJG-UHFFFAOYSA-N",366980,NA,"PDBC12897","636143","Present",NA,NA
+"12898","2,6-Dichloro-4-[1,2,2-tris(3,5-dichloro-4-hydroxyphenyl)ethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 4,4',4'',4'''-(1,2-ethanediylidene)tetrakis(2,6-...",NA,"C1=C(C=C(C(=C1Cl)O)Cl)C(C2=CC(=C(C(=C2)Cl)O)Cl)C(C3=CC(=C(C(=C3)Cl)O)Cl)C4=CC(=C(C(=C4)Cl)O)Cl","PGVJRDOIJQMGEF-UHFFFAOYSA-N",425241,NA,"PDBC12898","172033","Present",NA,NA
+"12899","2,6-Dichloro-7-methyl-3-methylideneoct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dichloro-7-methyl-3-methylideneoct-1-ene",NA,"CC(C)C(CCC(=C)C(=C)Cl)Cl","SAZOIYZPCAKCRB-UHFFFAOYSA-N",382938,NA,"PDBC12899","670815","Present",NA,NA
+"12900","2,6-Dichloro-7-methylpurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dichloro-7-methylpurine",NA,"CN1C=NC2=C1C(=NC(=N2)Cl)Cl","HVMUWHZAZGTMJK-UHFFFAOYSA-N",75281,NA,"PDBC12900","7853","Present",NA,NA
+"12901","2,6-Dichloro-9-[2-(2-chloroethoxy)ethyl]purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nonnucleoside purine derivatives",NA,"C1=NC2=C(N1CCOCCCl)N=C(N=C2Cl)Cl","PABIEFNWZUKKMB-UHFFFAOYSA-N",45029046,NA,"PDBC12901","745301","Present",NA,NA
+"12902","2,6-Dichloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dichloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purine",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)Cl)OC5=CC=C(C=C5)C","JVLGVUZJCTTXPR-UHFFFAOYSA-N",389534,NA,"PDBC12902","685832","Present",NA,NA
+"12903","2,6-Dichloro-9-phenyl-9h-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-bis(chloranyl)-9-phenyl-purine",NA,"C1=CC=C(C=C1)N2C=NC3=C2N=C(N=C3Cl)Cl","PUARFAPITOZVIH-UHFFFAOYSA-N",227494,NA,"PDBC12903","19098","Present",NA,NA
+"12904","2,6-Dichlorobenzyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9229AE",NA,"C1=CC(=C(C(=C1)Cl)CSC#N)Cl","IBWINXSTXHFYMY-UHFFFAOYSA-N",82034,NA,"PDBC12904","118097","Present",NA,NA
+"12905","2,6-Dichlorocinnamylidenemalononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-88911",NA,"C1=CC(=C(C(=C1)Cl)C=CC=C(C#N)C#N)Cl","AQHXDGSVFZHQHH-DAFODLJHSA-N",6273889,NA,"PDBC12905","659248","Present",NA,NA
+"12906","2,6-Dichlorophenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dichlorophenanthridine",NA,"C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)N=C2Cl","BTISIQJTOTUWFG-UHFFFAOYSA-N",282601,NA,"PDBC12906","136274","Present",NA,NA
+"12907","2,6-Dihydrazinyl-4-phenylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dihydrazinyl-4-phenylpyridine-3,5-dicarbonitrile",NA,"C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)NN)NN)C#N","WUPHKPRCBZEPRU-UHFFFAOYSA-N",368844,NA,"PDBC12907","640169","Present",NA,NA
+"12908","2,6-Dihydrotriazolo[4,5-f]benzotriazole-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H,6H-Benzo[1,2-d",NA,"C12=NNN=C1C(=O)C3=NNN=C3C2=O","RFJQFDNFQDAVHT-UHFFFAOYSA-N",392977,NA,"PDBC12908","694219","Present",NA,NA
+"12909","2,6-Dihydroxy-4-oxo-6-phenyl-2,5-hexadienoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-651835",NA,"C1=CC=C(C=C1)C(=CC(=O)C=C(C(=O)O)O)O","HYOKDRLDBBNYJL-SQXCDDPUSA-N",5467385,NA,"PDBC12909","651835","Present",NA,NA
+"12910","2,6-Dihydroxy-9-(5'-nitropyridine)-9h-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dihydroxy-9-(5'-nitropyridine)-9h-purine",NA,"C1=CC(=NC=C1[N+](=O)[O-])N2C=NC3=C2NC(=O)NC3=O","NSCZQPPXOQBCGP-UHFFFAOYSA-N",389377,NA,"PDBC12910","685424","Present",NA,NA
+"12911","2,6-Dihydroxyanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"anthraflavin",NA,"C1=CC2=C(C=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O","APAJFZPFBHMFQR-UHFFFAOYSA-N",6776,NA,"PDBC12911","33531","Present",NA,NA
+"12912","2,6-Dimethoxy-1,4-benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxyquinone",NA,"COC1=CC(=O)C=C(C1=O)OC","OLBNOBQOQZRLMP-UHFFFAOYSA-N",68262,NA,"PDBC12912","24500","Present",NA,NA
+"12913","2,6-Dimethoxy-10-thioxo-9(10H)-anthracenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxy-10-thioxo-9(10H)-anthracenone",NA,"COC1=CC2=C(C=C1)C(=O)C3=C(C2=S)C=CC(=C3)OC","DMOJVQSDXHCCRJ-UHFFFAOYSA-N",363001,NA,"PDBC12913","627540","Present",NA,NA
+"12914","2,6-Dimethoxy-3-(1-methylsulfanyl-1-pyridin-2-ylethyl)sulfanylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxy-3-{[1-(methylsulfanyl)-1-pyridin-2-ylethyl]sulfanyl}pyridine",NA,"CC(C1=CC=CC=N1)(SC)SC2=C(N=C(C=C2)OC)OC","SVYIYTDPGLKOAX-UHFFFAOYSA-N",400560,NA,"PDBC12914","712682","Present",NA,NA
+"12915","2,6-Dimethoxy-4-(2-(4-methoxyphenyl)ethyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3,4',5-trimethoxybibenzyl",NA,"COC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)O)OC","LQUCKZYGJBLADR-UHFFFAOYSA-N",368147,NA,"PDBC12915","638495","Present",NA,NA
+"12916","2,6-Dimethoxy-4-(6-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxy-4-(6-(4-methoxyanilino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)OC)OCO3)C5=CC(=C(C(=C5)OC)O)OC","XWPTTYCGUZLNFK-UHFFFAOYSA-N",383130,NA,"PDBC12916","671171","Present",NA,NA
+"12917","2,6-Dimethoxy-4-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxy-4-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=CC(=C(C(=C5)OC)O)OC","VBMAFJMJCVORJE-UHFFFAOYSA-N",383126,NA,"PDBC12917","671167","Present",NA,NA
+"12918","2,6-Dimethoxy-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxy-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)O)OC","MPDXBMJHDYBXLL-UHFFFAOYSA-N",383127,NA,"PDBC12918","671168","Present",NA,NA
+"12919","2,6-Dimethoxy-4-(7-methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxy-4-[7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol",NA,"CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)O)OC","FUNPVMFAHUSZAK-UHFFFAOYSA-N",383132,NA,"PDBC12919","671173","Present",NA,NA
+"12920","2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)O)OC","HMMFKXIBIIUASW-UHFFFAOYSA-N",383124,NA,"PDBC12920","671165","Present",NA,NA
+"12921","2,6-Dimethoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,6-Dimethoxy-4-(7-methyl-6-morpholin-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenyl] acetate",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)OC(=O)C)OC","ASBSTGZTKLVUCD-UHFFFAOYSA-N",383125,NA,"PDBC12921","671166","Present",NA,NA
+"12922","2,6-Dimethoxy-4-(8-oxo-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxy-4-(8-oxo-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-9-yl)phenyl acetate",NA,"CC(=O)OC1=C(C=C(C=C1OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC","BTKOYJYYQNYTMG-UHFFFAOYSA-N",382067,NA,"PDBC12922","669381","Present",NA,NA
+"12923","2,6-Dimethoxy-5-methyl-3-(3-methyl-2-butenyl)-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxy-5-methyl-3-(3-methyl-2-butenyl)-4H-chromen-4-one",NA,"CC1=C(C=CC2=C1C(=O)C(=C(O2)OC)CC=C(C)C)OC","RDQCIBRHDHBRRY-UHFFFAOYSA-N",380490,NA,"PDBC12923","666105","Present",NA,NA
+"12924","2,6-Dimethyl-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7(2H,6H)-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5,7(2H,6H)-tetrone",NA,"CN1C(=O)N2C(=O)N(C(=O)N2C1=O)C","QSDHEGQTZDPFFG-UHFFFAOYSA-N",392336,NA,"PDBC12924","692612","Present",NA,NA
+"12925","2,6-Dimethyl-3-(2-methylphenyl)pyrimidin-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632908",NA,"CC1=CC=CC=C1N2C(=NC(=CC2=O)C)C.Cl","ZLYAZXPMACETBU-UHFFFAOYSA-N",365319,NA,"PDBC12925","632908","Present",NA,NA
+"12926","2,6-Dimethyl-4-(1-naphthyl)-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-4-(1-naphthyl)-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5","OQBZERMRZYIDLG-UHFFFAOYSA-N",361066,NA,"PDBC12926","623870","Present",NA,NA
+"12927","2,6-Dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-[2-(4-Nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCC3=CC=C(C=C3)[N+](=O)[O-]","ZVBMOPMHERFLOD-UHFFFAOYSA-N",382118,NA,"PDBC12927","669511","Present",NA,NA
+"12928","2,6-Dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-[2-(4-Nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCC3=CC=C(C=C3)[N+](=O)[O-]","DRXCGOGFDBUTAC-UHFFFAOYSA-N",382121,NA,"PDBC12928","669514","Present",NA,NA
+"12929","2,6-Dimethyl-4-(3-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,6-dimethyl-4-(3-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)N=O)C(=O)OC","WWXRWOZVVFUXSG-UHFFFAOYSA-N",382111,NA,"PDBC12929","669504","Present",NA,NA
+"12930","2,6-Dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid 3-isopropyl 5-[2-(4-nitrophenyl)ethyl] ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-[2-(4-Nitrophenyl)ethyl] 5-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2C(F)(F)F)C(=O)OCCC3=CC=C(C=C3)[N+](=O)[O-]","GSEUCWFCVYVUCS-UHFFFAOYSA-N",382115,NA,"PDBC12930","669508","Present",NA,NA
+"12931","2,6-Dimethyl-4-[3-(hydroxyamino)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)NO)C(=O)OC","MHNQRBYYLUUMAW-UHFFFAOYSA-N",382109,NA,"PDBC12931","669502","Present",NA,NA
+"12932","2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-5-(1-piperazinyl)-4-pyrimidinol",NA,"CC1=C(C(=O)NC(=N1)C)N2CCNCC2","GJVNXGXWCKVSPF-UHFFFAOYSA-N",135481922,NA,"PDBC12932","673097","Present",NA,NA
+"12933","2,6-Dimethyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol",NA,"CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)[N+](=O)[O-]","MUFPQKPNCOHJIG-UHFFFAOYSA-N",135489784,NA,"PDBC12933","673105","Present",NA,NA
+"12934","2,6-Dimethyl-N'~3~,N'~5~-bis(phenylacetyl)pyridine-3,5-dicarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-N'~3~,N'~5~-bis(phenylacetyl)pyridine-3,5-dicarbohydrazide",NA,"CC1=C(C=C(C(=N1)C)C(=O)NNC(=O)CC2=CC=CC=C2)C(=O)NNC(=O)CC3=CC=CC=C3","YUGDLITYLAUWLD-UHFFFAOYSA-N",376621,NA,"PDBC12934","657651","Present",NA,NA
+"12935","2,6-Dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-N-[(E)-(4-nitrophenyl)methylideneamino]imidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide",NA,"CC1=C(N2C(=N1)SC(=N2)C)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","ITFUEFZTCVVNHO-VIZOYTHASA-N",9572289,NA,"PDBC12935","710325","Present",NA,NA
+"12936","2,6-Dimethyl-N4,N8-diphenyl-oxazolo[5,4-f][1,3]benzoxazole-4,8-diimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-N4,N8-diphenyl-oxazolo[5,4-f][1,3]benzoxazole-4,8-diimine",NA,"CC1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=C(C2=NC5=CC=CC=C5)OC(=N4)C","HAJWBDIPNVYOLH-UHFFFAOYSA-N",362418,NA,"PDBC12936","626303","Present",NA,NA
+"12937","2,6-Dimethyl-N~3~,N~5~,4-tris(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-N~3~,N~5~,4-tris(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=CC=CC=C1C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3C)C)C)C(=O)NC4=CC=CC=C4C","RVWWYYIMAWQCPW-UHFFFAOYSA-N",365855,NA,"PDBC12937","633929","Present",NA,NA
+"12938","2,6-Dimethyl-N~3~,N~5~-bis(2-methylphenyl)-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-N~3~,N~5~-bis(2-methylphenyl)-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C=CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4C)C)C","ORHWYFRPRZZBHQ-VHEBQXMUSA-N",5388228,NA,"PDBC12938","633943","Present",NA,NA
+"12939","2,6-Dimethyl-N~3~,N~5~-bis(2-methylphenyl)-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-N~3~,N~5~-bis(2-methylphenyl)-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C(=O)NC4=CC=CC=C4C)C)C","PSDGPEOMCXBWGD-UHFFFAOYSA-N",367765,NA,"PDBC12939","637704","Present",NA,NA
+"12940","2,6-Dimethyl-N~3~,N~5~-bis(2-phenylethyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-N~3~,N~5~-bis(2-phenylethyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(CC(=C(N1)C)C(=O)NCCC2=CC=CC=C2)C(=O)NCCC3=CC=CC=C3","VKTUFNNMMNZCFS-UHFFFAOYSA-N",376614,NA,"PDBC12940","657645","Present",NA,NA
+"12941","2,6-Dimethyl-N~3~,N~5~-dioctyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-N~3~,N~5~-dioctyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CCCCCCCCNC(=O)C1=C(NC(=C(C1)C(=O)NCCCCCCCC)C)C","NPCJWXOLULBCOY-UHFFFAOYSA-N",376622,NA,"PDBC12941","657652","Present",NA,NA
+"12942","2,6-Dimethylbenzyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB03562",NA,"CC1=C(C(=CC=C1)C)CO","JPEYJQDKTDVJSZ-UHFFFAOYSA-N",186748,NA,"PDBC12942","618295","Present",NA,NA
+"12943","2,6-Dinitro-4-(trifluoromethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000171",NA,"C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)N)[N+](=O)[O-])C(F)(F)F","FLLULEVATOIQCT-UHFFFAOYSA-N",360506,NA,"PDBC12943","622640","Present",NA,NA
+"12944","2,6-Dinitro-4-(trifluoromethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dinitro-4-(trifluoromethyl)benzoic acid",NA,"C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(F)(F)F","GNFOSJATUOBGKN-UHFFFAOYSA-N",360494,NA,"PDBC12944","622628","Present",NA,NA
+"12945","2,6-Dinitro-4-(trifluoromethyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GS-2004",NA,"C1=C(C=C(C(=C1[N+](=O)[O-])C#N)[N+](=O)[O-])C(F)(F)F","JVMGGCAIQROQMF-UHFFFAOYSA-N",360492,NA,"PDBC12945","622626","Present",NA,NA
+"12946","2,6-Dinitro-4-methylphenyl phenyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4Me2,6-diNO2Ph-SO2-Ph",NA,"CC1=CC(=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2)[N+](=O)[O-]","USGVKCGDCYHOQZ-UHFFFAOYSA-N",371684,NA,"PDBC12946","646122","Present",NA,NA
+"12947","2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dinitro-N,N-dipropyl-4-(trifluoromethyl)benzamide",NA,"CCCN(CCC)C(=O)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","ZHDIAMKTJDJHLW-UHFFFAOYSA-N",360495,NA,"PDBC12947","622629","Present",NA,NA
+"12948","2,6-Dinitrophenyl phenyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-diNO2Ph-SO2-Ph",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]","HMOFBCBFCRAODW-UHFFFAOYSA-N",370024,NA,"PDBC12948","642592","Present",NA,NA
+"12949","2,6-Dioxoadamantane-1,3,5,7-tetracarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dioxoadamantane-1,3,5,7-tetracarboxylic acid",NA,"C1C2(CC3(CC(C2=O)(CC1(C3=O)C(=O)O)C(=O)O)C(=O)O)C(=O)O","CWNMLUDMKYTMQU-UHFFFAOYSA-N",272785,NA,"PDBC12949","117489","Present",NA,NA
+"12950","2,6-Diphenyl-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Diphenyl-4-[2,4,6-tris(4-methylsulfonylphenyl)pyridin-1-ium-1-yl]phenol",NA,"CS(=O)(=O)C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC(=C(C(=C4)C5=CC=CC=C5)[O-])C6=CC=CC=C6)C7=CC=C(C=C7)S(=O)(=O)C","NZJAHSCHKKGYDX-UHFFFAOYSA-N",370129,NA,"PDBC12950","642720","Present",NA,NA
+"12951","2,6-Dipyridin-2-ylpyridine;4-methylpyridine;platinum(2+);tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dipyridin-2-ylpyridine;4-methylpyridine;platinum(2+);tetrafluoroborate",NA,"[B-](F)(F)(F)F.CC1=CC=NC=C1.C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3.[Pt+2]","YHBIZGKETGAKNE-UHFFFAOYSA-N",24202574,NA,"PDBC12951","694500","Present",NA,NA
+"12952","2,6-Ditert-butyl-4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-(2,3-diphenyl-3,4-dihydropyrazol-5-yl)phenol",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=NN(C(C2)C3=CC=CC=C3)C4=CC=CC=C4","LKDYAQMZOYWDGD-UHFFFAOYSA-N",398889,NA,"PDBC12952","709110","Present",NA,NA
+"12953","2,6-Ditert-butyl-4-(6-hydroxychromen-2-ylidene)cyclohexa-2,5-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-(6-hydroxychromen-2-ylidene)cyclohexa-2,5-dien-1-one",NA,"CC(C)(C)C1=CC(=C2C=CC3=C(O2)C=CC(=C3)O)C=C(C1=O)C(C)(C)C","JVMAGOLAWQMFAC-UHFFFAOYSA-N",398886,NA,"PDBC12953","709107","Present",NA,NA
+"12954","2,6-Ditert-butyl-4-[(2Z)-3-[3-(dimethylamino)propyl]-2-phenylimino-thiazol-4-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-[(2Z)-3-[3-(dimethylamino)propyl]-2-phenylimino-thiazol-4-yl]phenol",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NC3=CC=CC=C3)N2CCCN(C)C","YBINNOMVIRWVBR-UHFFFAOYSA-N",396117,NA,"PDBC12954","701664","Present",NA,NA
+"12955","2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-[4-[10,15,20-tris[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methylidene]cyclohexa-2,5-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-[4-[10,15,20-tris[4-[(3,5-ditert-butyl-4-hydroxyphenyl)-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]phenyl]-21,23-dihydroporphyrin",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=CC=C(C=C3)C4=C5C=CC(=C(C6=NC(=C(C7=CC=C(N7)C(=C8C=CC4=N8)C9=CC=C(C=C9)C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C1=CC=C(C=C1)C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C=C6)C1=CC=C(C=C1)C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)N5","YUXOVZQJNHZUDO-UHFFFAOYSA-N",16129894,NA,"PDBC12955","666457","Present",NA,NA
+"12956","2,6-Ditert-butyl-4-[(Z)-[4-phenyl-3-(2,4,6-trimethylphenyl)thiazol-2-ylidene]hydrazono]cyclohexa-2,5-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-[(Z)-[4-phenyl-3-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]cyclohexa-2,5-dien-1-one",NA,"CC1=CC(=C(C(=C1)C)N2C(=CSC2=NN=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C4=CC=CC=C4)C","ILFCLCVFUROXMO-BVNFUTIRSA-N",9555898,NA,"PDBC12956","648909","Present",NA,NA
+"12957","2,6-Ditert-butyl-4-[10-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-9-anthryl]-4-hydroxy-cyclohexa-2,5-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-ditert-butyl-4-[10-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-9-anthryl]-4-hydroxy-cyclohexa-2,5-dien-1-one",NA,"CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5(C=C(C(=O)C(=C5)C(C)(C)C)C(C)(C)C)O)O","UPMFBCDDRXWCKE-UHFFFAOYSA-N",386880,NA,"PDBC12957","679738","Present",NA,NA
+"12958","2,6-Ditert-butyl-4-[2-[1-(11-hydroxyundecyl)pyridin-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-[2-[1-(11-hydroxyundecyl)pyridin-4-ylidene]ethylidene]cyclohexa-2,5-dien-1-one",NA,"CC(C)(C)C1=CC(=CC=C2C=CN(C=C2)CCCCCCCCCCCO)C=C(C1=O)C(C)(C)C","VAYPFDGIIOIZGZ-UHFFFAOYSA-N",354022,NA,"PDBC12958","603854","Present",NA,NA
+"12959","2,6-Ditert-butyl-4-[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]phenol",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(CO)OCCOCCO","JTVUWCWBNGVCOX-UHFFFAOYSA-N",386888,NA,"PDBC12959","679746","Present",NA,NA
+"12960","2,6-Ditert-butyl-4-[4-(3,5-ditert-butyl-1-hydroxy-4-oxo-cyclohexa-2,5-dien-1-yl)-2,5-dimethyl-phenyl]-4-hydroxy-cyclohexa-2,5-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-[4-(3,5-ditert-butyl-1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)-2,5-dimethylphenyl]-4-hydroxycyclohexa-2,5-dien-1-one",NA,"CC1=CC(=C(C=C1C2(C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)O)C)C3(C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)O","MBNKJKGCDWPCOQ-UHFFFAOYSA-N",386878,NA,"PDBC12960","679736","Present",NA,NA
+"12961","2,6-Ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2,5-dimethyl-phenyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-[4-(3,5-ditert-butyl-4-hydroxy-phenyl)-2,5-dimethyl-phenyl]phenol",NA,"CC1=CC(=C(C=C1C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C","BQIQUXLRMRIJGZ-UHFFFAOYSA-N",386879,NA,"PDBC12961","679737","Present",NA,NA
+"12962","2,6-Ditert-butyl-4-[5-(3,5-ditert-butyl-4-hydroxy-phenyl)-1,4-dioxan-2-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-(1,4-dioxane-2,5-diyl)bis(2,6-di-tert-butylphenol)",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2COC(CO2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C","QCKVIDRGBCCTOT-UHFFFAOYSA-N",386889,NA,"PDBC12962","679747","Present",NA,NA
+"12963","2,6-Ditert-butyl-4-oxazolidin-2-yl-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Ditert-butyl-4-oxazolidin-2-yl-phenol",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2NCCO2","VTDCILCJGAKXPN-UHFFFAOYSA-N",398894,NA,"PDBC12963","709115","Present",NA,NA
+"12964","2,6-Dithiouric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC29192",NA,"C12=C(NC(=O)N1)NC(=S)NC2=S","SOQYJXVHBQVRDB-UHFFFAOYSA-N",3246111,NA,"PDBC12964","29192","Present",NA,NA
+"12965","2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 4-(acetyloxy)-3,4-dihydro-6,8-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 4-(acetyloxy)-3,4-dihydro-6,8-dimethyl-",NA,"CC1=CC2=C(C=C1)OC3CC(C(=O)C2(O3)C)OC(=O)C","JTUOGXGQXQDUMF-UHFFFAOYSA-N",362339,NA,"PDBC12965","625997","Present",NA,NA
+"12966","2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 6,8-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Epoxy-2H-1-benzoxocin-5(6H)-one, 6,8-dimethyl-",NA,"CC1=CC2=C(C=C1)OC3C=CC(=O)C2(O3)C","IZUJPRIAZVAYNB-UHFFFAOYSA-N",434882,NA,"PDBC12966","359892","Present",NA,NA
+"12967","2,6-Epoxy-2H-3-benzoxocin-4-ol, 1,4,5,6-tetrahydro-6-methyl-, acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Methyl-10,13-dioxatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-yl) acetate",NA,"CC(=O)OC1CC2(C3=CC=CC=C3CC(O1)O2)C","XXWOJCKKEUPXBS-UHFFFAOYSA-N",375426,NA,"PDBC12967","655147","Present",NA,NA
+"12968","2,6-Epoxy-2H-3-benzoxocin-5-amine, 1,4,5,6-tetrahydro-N,N-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Epoxy-2H-3-benzoxocin-5-amine, 1,4,5,6-tetrahydro-N,N-dimethyl-",NA,"CN(C)C1COC2CC3=CC=CC=C3C1O2","JKIGOMMUIKXZSM-UHFFFAOYSA-N",379715,NA,"PDBC12968","664690","Present",NA,NA
+"12969","2,6-Epoxy-2H-3-benzoxocin-5-methanamine, 1,4,5,6-tetrahydro-N,N-dimethyl-alpha-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664694///NSC664695",NA,"CN(C)C(C1COC2CC3=CC=CC=C3C1O2)C4=CC=CC=C4","QIKSDPFYQLJKSW-UHFFFAOYSA-N",379719,NA,"PDBC12969","664694///664695","Present",NA,NA
+"12970","2,6-Epoxy-4H-3-benzoxocin-4-one, 1,2,5,6-tetrahydro-6-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Epoxy-4H-3-benzoxocin-4-one, 1,2,5,6-tetrahydro-6-methyl-",NA,"CC12CC(=O)OC(O1)CC3=CC=CC=C23","DMLTZSFJRDTOJH-UHFFFAOYSA-N",375427,NA,"PDBC12970","655148","Present",NA,NA
+"12971","2,6-Imino-7-O-beta-D-glucopyranosyl-D-glycero-L-gulo-heptitol hydrochloride hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dideoxy-2,6-imino-7-O-.beta.-D-glucopyranosyl-D-glyc...",NA,"C(C1C(C(C(C(N1)COC2C(C(C(C(O2)CO)O)O)O)O)O)O)O.Cl","YVNTXEWDZMUWDW-UHFFFAOYSA-N",364255,NA,"PDBC12971","630254","Present",NA,NA
+"12972","2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-5,11-dimethyl-2-(3-methyl-2-butenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,13-Dimethyl-9-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol",NA,"CC1CNC2(CC3=C(C1C2C)C=C(C=C3)O)CC=C(C)C","GKRHGVFQRKXOAH-UHFFFAOYSA-N",379847,NA,"PDBC12972","664979","Present",NA,NA
+"12973","2,6-Octatrienoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Octatrienoic acid",NA,"CC=CC=CC=CC(=O)O","IAAPVNQZSBLWKH-ZQCKCTFASA-N",5354656,NA,"PDBC12973","16188","Present",NA,NA
+"12974","2,6-Piperidine bis(phosphonic acid)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Phosphono-2-piperidyl)phosphonic acid",NA,"C1CC(NC(C1)P(=O)(O)O)P(=O)(O)O","APRIPEPLXOGAFT-UHFFFAOYSA-N",363914,NA,"PDBC12974","629303","Present",NA,NA
+"12975","2,6-Piperidinedione, 3-(4-amino-2,3,5,6-tetrafluorophenyl)-3-ethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Piperidinedione, 3-ethyl-3-(4-amino-2,3,5,6- tetrafl...",NA,"CCC1(CCC(=O)NC1=O)C2=C(C(=C(C(=C2F)F)N)F)F","VQMSWWCIWKGHRH-UHFFFAOYSA-N",364080,NA,"PDBC12975","629719","Present",NA,NA
+"12976","2,6-Piperidinedione,3-(4-aminophenyl)-3-heptyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Piperidinedione,3-(4-aminophenyl)-3-heptyl-",NA,"CCCCCCCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N","OSRMOQHQZPPFAZ-UHFFFAOYSA-N",360578,NA,"PDBC12976","622730","Present",NA,NA
+"12977","2,7,10,15,21-Pentaazabicyclo[15.3.1]heneicosa-1(21),17.19-triene dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,16-Dioxo-3,7,10,15,21-pentaazabicyclo[15.3.1]heneicosa...",NA,"C1CNCCCNC(=O)C2=NC(=CC=C2)C(=O)NCCCNC1.Cl","YOPQCUSSGMODCR-UHFFFAOYSA-N",382436,NA,"PDBC12977","670003","Present",NA,NA
+"12978","2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7,7-Trimethyl-5-azabicyclo[4.1.1]octan-4-one",NA,"CC1CC(=O)NC2CC1C2(C)C","YDTXUIIAVPEWLV-UHFFFAOYSA-N",376021,NA,"PDBC12978","656400","Present",NA,NA
+"12979","2,7,8-Trimethylbenzo[g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7,8-Trimethylbenzo[g]quinoline-5,10-dione",NA,"CC1=NC2=C(C=C1)C(=O)C3=C(C2=O)C=C(C(=C3)C)C","ABDUPWLTOIFNIS-UHFFFAOYSA-N",386102,NA,"PDBC12979","677734","Present",NA,NA
+"12980","2,7,8-Tris(isobutyryloxy)-5,10-dioxo-5,10-dihydrochromeno[5,4,3-cde]chromen-3-yl 2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7,13,14-Tris(2-methylpropanoyloxy)-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaen-6-yl] 2-methylpropanoate",NA,"CC(C)C(=O)OC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC(=O)C(C)C)OC(=O)C(C)C)C(=O)O2)OC(=O)C(C)C","ZGFXODFJYKFSNE-UHFFFAOYSA-N",377345,NA,"PDBC12980","658786","Present",NA,NA
+"12981","2,7-(Epoxyethanooxyethanooxyethanooxyethanooxyethanooxy)acridine-9(10H)-thione, 10-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"29-Methyl-8,11,14,17,20,23-hexaoxa-29-azatetracyclo[22.3.1.13,7.14,27]triaconta-1(27),3,5,7(30),24(28),25-hexaene-2-thione",NA,"CN1C2=C3C=C(C=C2)OCCOCCOCCOCCOCCOC4=CC(=C1C=C4)C3=S","CUTDYCXVBYTFSA-UHFFFAOYSA-N",378721,NA,"PDBC12981","661823","Present",NA,NA
+"12982","2,7-(Epoxyethanooxyethanooxyethanooxyethanooxyethanooxyethanooxy)acridin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,11,14,17,20,23,26-Heptaoxa-32-azatetracyclo[25.3.1.13,7.14,30]tritriaconta-1,3,5,7(33),27(31),28,30(32)-heptaen-2-amine",NA,"C1COCCOCCOC2=CC3=C(C=C2)N=C4C=CC(=CC4=C3N)OCCOCCOCCO1","SDXHPEIUMMSVSM-UHFFFAOYSA-N",378723,NA,"PDBC12982","661825","Present",NA,NA
+"12983","2,7-(Epoxyethanooxyethanooxyethanooxyethanooxyethanooxyethanooxy)acridine-9(10H)-thione, 10-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"32-Methyl-8,11,14,17,20,23,26-heptaoxa-32-azatetracyclo[25.3.1.13,7.14,30]tritriaconta-1(30),3,5,7(33),27(31),28-hexaene-2-thione",NA,"CN1C2=C3C=C(C=C2)OCCOCCOCCOCCOCCOCCOC4=CC(=C1C=C4)C3=S","HHNJBDDZFYZPLE-UHFFFAOYSA-N",378722,NA,"PDBC12983","661824","Present",NA,NA
+"12984","2,7-Anthracenediacetic acid, 9,10-dihydro-1,8-dihydroxy-9,10-dioxo-, diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Anthracenediacetic acid, 9,10-dihydro-1,8-dihydroxy-9,10-dioxo-, diethyl ester",NA,"CCOC(=O)CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=C(C=C3)CC(=O)OCC)O)O","YKHREYGYRHYQQG-UHFFFAOYSA-N",363405,NA,"PDBC12984","628309","Present",NA,NA
+"12985","2,7-Anthracenediethanoic acid,9,10-dihydro-1,8-dihydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Anthracenediethanoic acid,9,10-dihydro-1,8-dihydroxy-",NA,"C1=CC2=C(C(=C1CC(=O)O)O)C(=O)C3=C(C2=O)C=CC(=C3O)CC(=O)O","UCGKAJYBYNTEQZ-UHFFFAOYSA-N",374042,NA,"PDBC12985","651238","Present",NA,NA
+"12986","2,7-Bis(1-hydroxyethyl)thieno[2,3-f][1]benzothiole-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2,7-bis(1-hydr...",NA,"CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3C(C)O)O","UCYRPWDOWLXJHZ-UHFFFAOYSA-N",388026,NA,"PDBC12986","682451","Present",NA,NA
+"12987","2,7-Bis(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis(1H-benzimidazol-2-yl)-5-(4-chlorophenyl)-1H-1,8-naphthyridin-4-one",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC(=O)C4=C(N3)N=C(C=C4C5=CC=C(C=C5)Cl)C6=NC7=CC=CC=C7N6","PZQKLTKFYQAKAW-UHFFFAOYSA-N",5472425,NA,"PDBC12987","718695","Present",NA,NA
+"12988","2,7-Bis(1H-benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis(1H-benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1H-1,8-naphthyridin-4-one",NA,"CSC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)C=C(N3)C4=NC5=CC=CC=C5N4)C6=NC7=CC=CC=C7N6","MDIXNOMRVRRILV-UHFFFAOYSA-N",5472426,NA,"PDBC12988","718696","Present",NA,NA
+"12989","2,7-Bis(2-(benzylamino)ethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone bis(4-methylbenzenesulfonate) dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-bis(2-(benzylamino)ethyl)benzo[lmn][3,8]phenanthroli...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC=CC=C6)C2=O","WIEPTSVLJGFQSF-UHFFFAOYSA-N",60147756,NA,"PDBC12989","752362","Present",NA,NA
+"12990","2,7-Bis(3-(dimethylamino)propyl)-4,10-bis(3-(dimethylamino)propylamino)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-bis(3-(dimethylamino)propyl)-4,10-bis(3-(dimethylami...",NA,"CN(C)CCCNC1=CC2=C(N(C(=O)C3=C2C4=C1C(=O)N(C(=O)C4=CC3=NCCCN(C)C)CCCN(C)C)CCCN(C)C)O","ZGVKBROBIHTXKM-UHFFFAOYSA-N",135875630,NA,"PDBC12990","753938","Present",NA,NA
+"12991","2,7-Bis(5-(4-methylpiperazin-1-yl)pentyl)-4,9-bis(5-(4-methylpiperazin-1-yl)pentylamino)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone diformate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-bis(5-(4-methylpiperazin-1-yl)pentyl)-4,9-bis(5-(4-m...",NA,"CN1CCN(CC1)CCCCCNC2=CC3=C(N(C(=O)C4=C3C5=C2C(=O)N(C(=O)C5=CC4=NCCCCCN6CCN(CC6)C)CCCCCN7CCN(CC7)C)CCCCCN8CCN(CC8)C)O.C(=O)O","NGVHTSKQHXAYCW-UHFFFAOYSA-N",136040182,NA,"PDBC12991","753939","Present",NA,NA
+"12992","2,7-Bis(chloromethyl)-5,10-dimethoxy-3,8-dihydropyrimido[4,5-g]quinazoline-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis(chloromethyl)-5,10-dimethoxy-1,6-dihydropyrimido[4,5-g]quinazoline-4,9-dione",NA,"COC1=C2C(=C(C3=C1C(=O)NC(=N3)CCl)OC)C(=O)NC(=N2)CCl","OWHWDRHQMJSJCN-UHFFFAOYSA-N",135409048,NA,"PDBC12992","656780","Present",NA,NA
+"12993","2,7-Bis(methoxycarbonylmethyl)-10-methylphenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis(methoxycarbonylmethyl)-10-methylphenothiazine",NA,"CN1C2=C(C=C(C=C2)CC(=O)OC)SC3=C1C=C(C=C3)CC(=O)OC","MFIZDNSYHGUUBM-UHFFFAOYSA-N",384444,NA,"PDBC12993","674225","Present",NA,NA
+"12994","2,7-Bis-(2-allylamino-ethyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-(2-allylamino-ethyl)-benzo[lmn][3,8]phenanthroli...",NA,"C=CCNCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCNCC=C)C1=O.Cl","HAZXHZRPXCLZFZ-UHFFFAOYSA-N",60148337,NA,"PDBC12994","754154","Present",NA,NA
+"12995","2,7-Bis-(3-allylamino-propyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-(3-allylamino-propyl)-benzo[lmn][3,8]phenanthrol...",NA,"C=CCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC=C)C1=O.Cl","YEJMCBPDORCDTR-UHFFFAOYSA-N",60148333,NA,"PDBC12995","754152","Present",NA,NA
+"12996","2,7-Bis-(3-benzylamino-propyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-(3-benzylamino-propyl)-benzo[lmn][3,8]phenanthro...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6)C2=O.O","IJBXIFBSQZLFQM-UHFFFAOYSA-N",60147719,NA,"PDBC12996","752272","Present",NA,NA
+"12997","2,7-Bis-(3-prop-2-ynylamino-propyl)-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-(3-prop-2-ynylamino-propyl)-benzo[lmn][3,8]phena...",NA,"C#CCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC#C)C1=O.Cl","FAYJXKLTAICLII-UHFFFAOYSA-N",60148335,NA,"PDBC12997","754153","Present",NA,NA
+"12998","2,7-Bis-[12-(2-methoxy-benzylamino)-dodecyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-paratoluensulfonate dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[12-(2-methoxy-benzylamino)-dodecyl]-benzo[lmn][...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1CNCCCCCCCCCCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCCCCCCCCCCNCC6=CC=CC=C6OC)C2=O","LEGKTYHAISFGJC-UHFFFAOYSA-N",60147829,NA,"PDBC12998","752505","Present",NA,NA
+"12999","2,7-Bis-[2-(2,3,4-trimethoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[2-(2,3,4-trimethoxy-benzylamino)-ethyl]-benzo[l...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=C(C(=C(C=C6)OC)OC)OC)C2=O)OC)OC.O","IRWJVGHILOFKQO-UHFFFAOYSA-N",60147730,NA,"PDBC12999","752278","Present",NA,NA
+"13000","2,7-Bis-[2-(3,4,5-trimethoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone dipara-toluensulfonate dihydrate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[2-(3,4,5-trimethoxy-benzylamino)-ethyl]-benzo[l...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=CC(=C1OC)OC)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC(=C(C(=C6)OC)OC)OC)C2=O","ZBLSAIQQBQDYHA-UHFFFAOYSA-N",60147825,NA,"PDBC13000","752503","Present",NA,NA
+"13001","2,7-Bis-[2-(3-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[2-(3-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC(=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC(=CC=C6)OC)C2=O.O","PDFDWFUDSSHOSW-UHFFFAOYSA-N",60147724,NA,"PDBC13001","752275","Present",NA,NA
+"13002","2,7-Bis-[2-(4-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[2-(4-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=C(C=C1)CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC=C(C=C6)OC)C2=O.O","RDOIPKDVLTUZNV-UHFFFAOYSA-N",60147726,NA,"PDBC13002","752276","Present",NA,NA
+"13003","2,7-Bis-[3-(2,3,4-trimethoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[3-(2,3,4-trimethoxy-benzylamino)-propyl]-benzo[...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=C(C(=C(C=C6)OC)OC)OC)C2=O)OC)OC.O","HXAFCSVYXJOSKU-UHFFFAOYSA-N",60147721,NA,"PDBC13003","752273","Present",NA,NA
+"13004","2,7-Bis-[3-(2-chloro-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[3-(2-chloro-benzylamino)-propyl]-benzo[lmn][3,8...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6Cl)C2=O)Cl.O","SRZOFNPQHMBPET-UHFFFAOYSA-N",60147715,NA,"PDBC13004","752270","Present",NA,NA
+"13005","2,7-Bis-[3-(2-fluoro-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[3-(2-fluoro-benzylamino)-propyl]-benzo[lmn][3,8...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C(=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6F)C2=O)F.O","HFPJXGIKBRUERV-UHFFFAOYSA-N",60147717,NA,"PDBC13005","752271","Present",NA,NA
+"13006","2,7-Bis-[3-(2-methoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone di-p-toluensulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[3-(2-methoxy-benzylamino)-propyl]-benzo[lmn][3,...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC=CC=C6OC)C2=O.O","DIWBOPQXNJSWFF-UHFFFAOYSA-N",60147723,NA,"PDBC13006","752274","Present",NA,NA
+"13007","2,7-Bis-[3-(3,4,5-trimethoxy-benzylamino)-propyl]-benzo[lmn][3,8]phenanthroline-1,3,6,8-tetraone diparatoluensulfonate dihydrate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[3-(3,4,5-trimethoxy-benzylamino)-propyl]-benzo[...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=CC(=C1OC)OC)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCC6=CC(=C(C(=C6)OC)OC)OC)C2=O","MJOCBQIVFCWVAQ-UHFFFAOYSA-N",60147827,NA,"PDBC13007","752504","Present",NA,NA
+"13008","2,7-Diacetylbenzo[f][1]benzothiole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-b]thiophene-4,9-dione, 2,7-diacetyl-",NA,"CC(=O)C1=CC2=C(C=C1)C(=O)C3=C(C2=O)SC(=C3)C(=O)C","OGSTVKYZXKXSJY-UHFFFAOYSA-N",392895,NA,"PDBC13008","694073","Present",NA,NA
+"13009","2,7-Diamidinoxanthone dihydrochloride hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Diamidinoxanthone dihydrochloride hydrate",NA,"C1=CC2=C(C=C1C(=N)N)C(=O)C3=C(O2)C=CC(=C3)C(=N)N.Cl","WWLKDHUCGIBBHU-UHFFFAOYSA-N",363842,NA,"PDBC13009","629108","Present",NA,NA
+"13010","2,7-Dibenzylidenecycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dibenzylidinecycloheptanone",NA,"C1CCC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","CDWCNIVDIALVDN-MXWIWYRXSA-N",5378310,NA,"PDBC13010","649638","Present",NA,NA
+"13011","2,7-Dibromo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dibromo-1,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one",NA,"C1=C(C2=C(N1)C(=O)NC(=N2)Br)Br","MOSFCLIMILENOG-UHFFFAOYSA-N",135408951,NA,"PDBC13011","649054","Present",NA,NA
+"13012","2,7-Dibromoxanthone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dibromoxanthone",NA,"C1=CC2=C(C=C1Br)C(=O)C3=C(O2)C=CC(=C3)Br","AOOPYZBRENDMPN-UHFFFAOYSA-N",363840,NA,"PDBC13012","629106","Present",NA,NA
+"13013","2,7-Dichloro-1H-imidazo[1,2-c]pyrimidine-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dichloro-1H-imidazo[1,2-c]pyrimidine-5-thione",NA,"C1=C2NC(=CN2C(=S)N=C1Cl)Cl","NDQMCBYRPOZJNV-UHFFFAOYSA-N",3317089,NA,"PDBC13013","131919","Present",NA,NA
+"13014","2,7-Dichloro-3,7-dimethyl-1-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-dibromo-3,7-dichloro-3,7-dimethyl-1-octene",NA,"CC(C)(C(CCC(C)(C(=C)Br)Cl)Br)Cl","BCDTUPZZPAMTHE-UHFFFAOYSA-N",378232,NA,"PDBC13014","660035","Present",NA,NA
+"13015","2,7-Dichloro-5-methyl[1,8]naphthyridin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-3-amine, 2,7-dichloro-5-methyl-",NA,"CC1=CC(=NC2=NC(=C(C=C12)N)Cl)Cl","YSHQJRLPBAUONC-UHFFFAOYSA-N",387116,NA,"PDBC13015","680510","Present",NA,NA
+"13016","2,7-Dicyanoxanthone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dicyanoxanthone",NA,"C1=CC2=C(C=C1C#N)C(=O)C3=C(O2)C=CC(=C3)C#N","CCNZAMXUHSZNLJ-UHFFFAOYSA-N",363841,NA,"PDBC13016","629107","Present",NA,NA
+"13017","2,7-Dihydroxyapogeissoschizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dihydroxyapogeissoschizine",NA,"CC=C1CN2CCC3(C4=CC=CC=C4N5C3(C2CC1C(=C5)C(=O)OC)O)O","ABALGCGSAUWIRD-DXNYSGJVSA-N",5468505,NA,"PDBC13017","670971","Present",NA,NA
+"13018","2,7-Diiodo-N~1~,N~1~,N~4~,N~4~-tetraisopropyl-1,4-cubanedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Diiodo-N~1~,N~1~,N~4~,N~4~-tetraisopropyl-1,4-cubanedicarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C2C3(C45C(=O)N(C(C)C)C(C)C)I)I","YXFJDKVAJYJHEH-UHFFFAOYSA-N",369192,NA,"PDBC13018","640898","Present",NA,NA
+"13019","2,7-Diisopropyl-1H,6H-diimidazo[1,5-b:1,5-e][1,2,4,5]tetraazine-1,3,6,8(2H,7H)-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Di(propan-2-yl)-1,2,5,7,8,11-hexazatricyclo[7.3.0.03,7]dodeca-2,8-diene-4,6,10,12-tetrone",NA,"CC(C)N1C(=O)C2=NN3C(=NN2C1=O)C(=O)N(C3=O)C(C)C","GKMXZCAWYMAOPJ-UHFFFAOYSA-N",381183,NA,"PDBC13019","667514","Present",NA,NA
+"13020","2,7-Dimethoxy-4b-(4-methoxyphenyl)-9a-(4-nitrophenyl)-9,10-dihydroindeno[1,2-a]indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dimethoxy-4b-(4-methoxyphenyl)-9a-(4-nitrophenyl)-9,10-dihydroindeno[1,2-a]indene",NA,"COC1=CC=C(C=C1)C23C4=C(CC2(CC5=C3C=CC(=C5)OC)C6=CC=C(C=C6)[N+](=O)[O-])C=C(C=C4)OC","RVYBFQCNZYDFKY-UHFFFAOYSA-N",374288,NA,"PDBC13020","651807","Present",NA,NA
+"13021","2,7-Dimethoxy-9-(oxiran-2-ylmethylsulfanyl)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dimethoxy-9-(oxiran-2-ylmethylsulfanyl)acridine",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCC4CO4)OC","RZJYXPKGGBAERB-UHFFFAOYSA-N",395394,NA,"PDBC13021","699930","Present",NA,NA
+"13022","2,7-Dimethoxy-9-(vinylsulfonyl)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-584/43502783",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)(=O)C=C)OC","FETZQIOHMSCAJT-UHFFFAOYSA-N",395402,NA,"PDBC13022","699938","Present",NA,NA
+"13023","2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfanyl]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfanyl]acridine",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCC4=CC=C(C=C4)[N+](=O)[O-])OC","ADQVOEHTIPRZRG-UHFFFAOYSA-N",395399,NA,"PDBC13023","699935","Present",NA,NA
+"13024","2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfinyl]acridine",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CC4=CC=C(C=C4)[N+](=O)[O-])OC","CITQWVKNUSPDGX-UHFFFAOYSA-N",395400,NA,"PDBC13024","699936","Present",NA,NA
+"13025","2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfonyl]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dimethoxy-9-[(4-nitrophenyl)methylsulfonyl]acridine",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)(=O)CC4=CC=C(C=C4)[N+](=O)[O-])OC","NLVWEJNTBSZBHX-UHFFFAOYSA-N",395401,NA,"PDBC13025","699937","Present",NA,NA
+"13026","2,7-Dimethoxy-9-[[2-(diethylamino)ethyl]thio]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dimethoxy-9-[[2-(diethylamino)ethyl]thio]acridine",NA,"CCN(CC)CCSC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC","FTXHPXJPAANONC-UHFFFAOYSA-N",395391,NA,"PDBC13026","699927","Present",NA,NA
+"13027","2,7-Dimethyl-6-vinyl-10,11-dihydro-dibenz[b,f] oxepin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,8-Dihydroxy-1,7-dimethyl-6-vinyl-10,11-dihydro-dibenz[...",NA,"CC1=C(C=CC2=C1CCC3=CC(=C(C(=C3O2)C=C)C)OC)OC","SFBOMSGACAXEJX-UHFFFAOYSA-N",381569,NA,"PDBC13027","668358","Present",NA,NA
+"13028","2,7-Dimethyl-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dimethyl-phenothiazone",NA,"CC1=CC2=C(C=C1)N=C3C=C(C(=O)C=C3S2)C","TVVHYPAXJOOOSG-UHFFFAOYSA-N",369391,NA,"PDBC13028","641155","Present",NA,NA
+"13029","2,7-Dimethylbenzo[g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dimethylbenzo[g]quinoline-5,10-dione",NA,"CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=N3)C","ZEAIDLOIWYDULE-UHFFFAOYSA-N",388308,NA,"PDBC13029","682998","Present",NA,NA
+"13030","2,7-Dimorpholino-1,6-dithia-3,4,5,8-tetraaza-as-indacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dimorpholino-1,6-dithia-3,4,5,8-tetraaza-as-indacene",NA,"C1COCCN1C2=NC3=C4C(=NN=C3S2)N=C(S4)N5CCOCC5","CGWNZBITDQHZDT-UHFFFAOYSA-N",398023,NA,"PDBC13030","707096","Present",NA,NA
+"13031","2,7-Dinitro-9,10-phenanthrenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000017",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)C3=C2C=CC(=C3)[N+](=O)[O-]","NLYJKDKBQGPHLE-UHFFFAOYSA-N",95759,NA,"PDBC13031","33530","Present",NA,NA
+"13032","2,7-Dinitro-9h-fluoren-9-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Dinitro-9h-fluoren-9-one oxime",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=NO)C3=C2C=CC(=C3)[N+](=O)[O-]","ASHANQNSFRKUPX-UHFFFAOYSA-N",276243,NA,"PDBC13032","123814","Present",NA,NA
+"13033","2,7-Diphenyl-1,5-dihydro[1,8]naphthyridine-4a(4H)-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Diphenyl-1,5-dihydro[1,8]naphthyridine-4a(4H)-carbonitrile",NA,"C1C=C(NC2=NC(=CCC21C#N)C3=CC=CC=C3)C4=CC=CC=C4","CJIVDAHLJKTXME-UHFFFAOYSA-N",384655,NA,"PDBC13033","674700","Present",NA,NA
+"13034","2,7-Diphenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Diphenyl-5,6-dihydro-4h-pyrrolo[2,3-d]pyridazin-4-one",NA,"C1=CC=C(C=C1)C2=CC3=C(N2)C(=NNC3=O)C4=CC=CC=C4","VDGVTNRWVHXAFN-UHFFFAOYSA-N",135426724,NA,"PDBC13034","711311","Present",NA,NA
+"13035","2,7-Diphenyl-1H,6H-diimidazo[1,5-b:1,5-e][1,2,4,5]tetraazine-1,3,6,8(2H,7H)-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Diphenyl-1,2,5,7,8,11-hexazatricyclo[7.3.0.03,7]dodeca-2,8-diene-4,6,10,12-tetrone",NA,"C1=CC=C(C=C1)N2C(=O)C3=NN4C(=NN3C2=O)C(=O)N(C4=O)C5=CC=CC=C5","HIGIECWFVNHHFZ-UHFFFAOYSA-N",381870,NA,"PDBC13035","669039","Present",NA,NA
+"13036","2,7-Ditert-butyl-9-phenyl-10-(trifluoromethyl)anthracene-9,10-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Ditert-butyl-9-phenyl-10-(trifluoromethyl)anthracene-9,10-diol",NA,"CC(C)(C)C1=CC2=C(C=C1)C(C3=C(C2(C4=CC=CC=C4)O)C=C(C=C3)C(C)(C)C)(C(F)(F)F)O","OKLCRAQGBMZXNJ-UHFFFAOYSA-N",357629,NA,"PDBC13036","617153","Present",NA,NA
+"13037","2,7-Naphthyridine-1,3,6,8-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C8H6N2O4",NA,"C1=C2C=C(NC(=O)C2=C(NC1=O)O)O","PEHAPVAHJLCRSR-UHFFFAOYSA-N",135406078,NA,"PDBC13037","625184","Present",NA,NA
+"13038","2,7-Tri-O-isopropylidene-beta-D-arabino-L-erythro-oct-4-ulo-4,8-pyranose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3:5:6,7-Tri-O-isopropylidene-.beta.-D-arabino-L-erythr...",NA,"CC1(OC2COC3(C(C2O1)OC(O3)(C)C)C4C(OC(O4)(C)C)CO)C","TYRFSVLXABMDCR-UPYDLTLLSA-N",395852,NA,"PDBC13038","700855","Present",NA,NA
+"13039","2,7-Tribromo-3-chloro-3,7-dimethyl-1-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,7-tribromo-3-chloro-3,7-dimethyl-1-octene",NA,"CC(C)(C(CCC(C)(C(=C)Br)Cl)Br)Br","VYTHSQCDAGXZGQ-UHFFFAOYSA-N",376324,NA,"PDBC13039","657138","Present",NA,NA
+"13040","2,7-Tris(ethylthio)-5-(3,4-dimethoxyphenyl)pyrido[2,3-d]py rimidine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,7-Tris(ethylthio)-5-(3,4-dimethoxyphenyl)pyrido[2,3-...",NA,"CCSC1=NC2=C(C(=C1C#N)C3=CC(=C(C=C3)OC)OC)C(=NC(=N2)SCC)SCC","BGUZIEPZTIMLAE-UHFFFAOYSA-N",24204320,NA,"PDBC13040","731362","Present",NA,NA
+"13041","2,7a-Diphenyl-6,7-dihydro-5H-pyrrolo[2,1-b][1,3,4]thiadiazole-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7a-Diphenyl-5,6,7,7a-tetrahydropyrrolo[2,1-b][1,3,4]thiadiazole-7-carbonitrile",NA,"C1CN2C(C1C#N)(SC(=N2)C3=CC=CC=C3)C4=CC=CC=C4","YMSONQZEIIDFRD-UHFFFAOYSA-N",400615,NA,"PDBC13041","712737","Present",NA,NA
+"13042","2,8,9,10a-Tetraaza-4a-azonia-anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC723827",NA,"CC1=NC2=NC3=[N+](CN2C=C1)C=CC(=N3)C.[I-]","MFNSBVOPHJBTJB-UHFFFAOYSA-M",405972,NA,"PDBC13042","723827","Present",NA,NA
+"13043","2,8,9-Tetramethoxy-11H-indeno[1,2-c]isoquinoline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,8,9-Tetramethoxy-11H-indeno[1,2-c]isoquinoline hydro...",NA,"COC1=C(C=C2C(=C1)CC3=C2N=CC4=CC(=C(C=C34)OC)OC)OC.Cl","ZEPTXGLXEXYSAW-UHFFFAOYSA-N",45027860,NA,"PDBC13043","729474","Present",NA,NA
+"13044","2,8,9-Trimethoxy-5-methyl-5lambda(5)-benzo(c)phenanthridin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[c]phenthridinium, 3-hydroxy-2,8,9-trimethoxy- 5-me...",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)O)OC)OC.[Cl-]","WWGXSIQLTYDQBL-UHFFFAOYSA-N",11315160,NA,"PDBC13044","246014","Present",NA,NA
+"13045","2,8,9-Trioxa-5-aza-1-silabicyclo(3.3.3)undecane-1-butanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undec-1-yl)butanenitrile",NA,"C1CO[Si]2(OCCN1CCO2)CCCC#N","CGPZMTAMGCNLFK-UHFFFAOYSA-N",144904,NA,"PDBC13045","626548","Present",NA,NA
+"13046","2,8-Bis(3,4,5-trimethoxyphenyl)pyrano[3,2-g]chromene-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,8-Bis(3,4,5-trimethoxyphenyl)pyrano[3,2-g]chromene-4,6-dione",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=CC4=C(C=C3O2)OC(=CC4=O)C5=CC(=C(C(=C5)OC)OC)OC","VAJCUPZKJQVAFX-UHFFFAOYSA-N",386069,NA,"PDBC13046","677640","Present",NA,NA
+"13047","2,8-Bis(3-hydroxypropyl)-2,8-dimethylcyclooctanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,8-Bis(3-hydroxypropyl)-2,8-dimethylcyclooctanone",NA,"CC1(CCCCCC(C1=O)(C)CCCO)CCCO","DCRFXDVFSUXTGD-UHFFFAOYSA-N",385906,NA,"PDBC13047","677307","Present",NA,NA
+"13048","2,8-Bis(chloromethyl)-5,10-dimethoxy-3,7-dimethylpyrimido[5,4-g]quinazoline-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,8-Bis(chloromethyl)-5,10-dimethoxy-3,7-dimethylpyrimido[5,4-g]quinazoline-4,6(3h,7h)-dione",NA,"CN1C(=NC2=C(C1=O)C(=C3C(=C2OC)N=C(N(C3=O)C)CCl)OC)CCl","VKSJJUUHXCNOMO-UHFFFAOYSA-N",385308,NA,"PDBC13048","676424","Present",NA,NA
+"13049","2,8-Diazaspiro[5.5]undecane-1,3,7,9-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650736",NA,"C1CC2(CCC(=O)NC2=O)C(=O)NC1=O","VLXWUMRXYIGSMF-UHFFFAOYSA-N",223267,NA,"PDBC13049","650736","Present",NA,NA
+"13050","2,8-Diazaspiro[5.5]undecane-1,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2951AC",NA,"C1CC2(CCCNC2=O)C(=O)NC1","NBYYWDISYKXXLL-UHFFFAOYSA-N",373773,NA,"PDBC13050","650737","Present",NA,NA
+"13051","2,8-Dibenzyl-1,2,3,7,8,9-hexahydro-4,10-dioxa-2,8-diaza-chrysene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,1-e:6,5-e']bis[1,3]oxazine, 1,2,3,7,8,9-hexahy...",NA,"C1C2=C(C3=C(C=C2)C4=C(CN(CO4)CC5=CC=CC=C5)C=C3)OCN1CC6=CC=CC=C6","WPCIJWIOBUMZMG-UHFFFAOYSA-N",254598,NA,"PDBC13051","79050","Present",NA,NA
+"13052","2,8-Dibutyl-4-(4-ethoxyphenyl)-6,6,7,7-tetramethyl-2,4,8-triazabicyclo[3.2.1]octan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,8-Triazabicyclo[3.2.1]octan-3-one, 2,8-dibutyl- 4-(4...",NA,"CCCCN1C2C(C(C1N(C(=O)N2CCCC)C3=CC=C(C=C3)OCC)(C)C)(C)C","LMMIGDVIKSSQIE-UHFFFAOYSA-N",426557,NA,"PDBC13052","193934","Present",NA,NA
+"13053","2,8-Dimethoxy-6,11-dihydro-5H-benzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,8-Dimethoxy-6,11-dihydro-5H-benzo[a]carbazole",NA,"COC1=CC2=C(CCC3=C2NC4=C3C=C(C=C4)OC)C=C1","HXXNUAKRHBYITD-UHFFFAOYSA-N",390902,NA,"PDBC13053","689077","Present",NA,NA
+"13054","2,8-Dimethyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,8-Dimethyl-5,6,11,12-tetrahydrobenzo[c][1,5]benzodiazocine",NA,"CC1=CC2=C(C=C1)NCC3=C(C=CC(=C3)C)NC2","FIYXWLXBQFGGSN-UHFFFAOYSA-N",361905,NA,"PDBC13054","625317","Present",NA,NA
+"13055","2,8-Dimethylbenzo[g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,8-Dimethylbenzo[g]quinoline-5,10-dione",NA,"CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)N=C(C=C3)C","SVLXQOQGBMKLGA-UHFFFAOYSA-N",388307,NA,"PDBC13055","682997","Present",NA,NA
+"13056","2,8-Dinitropyrido[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801169",NA,"C1=CC2=C(C=C1[N+](=O)[O-])N3C=C(C=CC3=N2)[N+](=O)[O-]","YZTPFAASBUIUKE-UHFFFAOYSA-N",392520,NA,"PDBC13056","693036","Present",NA,NA
+"13057","2,8-Methylenedioxy-11H-indeno[1,2-c]isoqu inoline Hydrychloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Methylenedioxy-7,8-methylenedioxy-11H-indeno[1,2-c]i...",NA,"C1C2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C=N4)OCO6)OCO3.Cl","UVXHFVMFUKOCJH-UHFFFAOYSA-N",11427824,NA,"PDBC13057","730920","Present",NA,NA
+"13058","2,8]Phenanthroline-1,3,6,8-tetraone bis tosylate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-[2-(2-methoxy-benzylamino)-ethyl]-benzo[lmn][3,8...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC=CC=C1CNCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCNCC6=CC=CC=C6OC)C2=O","UGTQQMWDKQVUJJ-UHFFFAOYSA-N",54613234,NA,"PDBC13058","750892","Present",NA,NA
+"13059","2,9,10,16,17,22,23-Octa-(4-hydroxy-phenoxy)phthalocyanin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,9,10,16,17,22,23-Octa-(4-hydroxy-phenoxy)phthalocyanin",NA,"C1=CC(=CC=C1O)OC2=CC3=C4NC(=C3C=C2OC5=CC=C(C=C5)O)N=C6C7=CC(=C(C=C7C(=N6)N=C8C9=CC(=C(C=C9C(=NC1=NC(=N4)C2=CC(=C(C=C21)OC1=CC=C(C=C1)O)OC1=CC=C(C=C1)O)N8)OC1=CC=C(C=C1)O)OC1=CC=C(C=C1)O)OC1=CC=C(C=C1)O)OC1=CC=C(C=C1)O","KXGFCTJFKLRKKD-UHFFFAOYSA-N",16134273,NA,"PDBC13059","670002","Present",NA,NA
+"13060","2,9,11,12-Tetrazapentacyclo[11.9.0.02,10.03,8.017,22]docosa-1(13),3,5,7,9,11,17,19,21-nonaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,9,11,12-Tetrazapentacyclo[11.9.0.02,10.03,8.017,22]docosa-1(13),3,5,7,9,11,17,19,21-nonaene",NA,"C1CC2=CC=CC=C2C3=C(C1)N=NC4=NC5=CC=CC=C5N34","VFVFEMPHDGMDFQ-UHFFFAOYSA-N",54612792,NA,"PDBC13060","750274","Present",NA,NA
+"13061","2,9,11,18,19,26-Hexamethyl-2,9,11,18,19,26-hexazahexacyclo[8.8.8.01,10.03,8.012,17.020,25]hexacosa-3,5,7,12,14,16,20,22,24-nonaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,9,11,18,19,26-Hexamethyl-2,9,11,18,19,26-hexazahexacyclo[8.8.8.01,10.03,8.012,17.020,25]hexacosa-3,5,7,12,14,16,20,22,24-nonaene",NA,"CN1C2=CC=CC=C2N(C34C1(N(C5=CC=CC=C5N3C)C)N(C6=CC=CC=C6N4C)C)C","UIRDUSIKQUGNKG-UHFFFAOYSA-N",365520,NA,"PDBC13061","633208","Present",NA,NA
+"13062","2,9,11-Triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(15),3(7),10,12(16),13-pentaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,9,11-Triazatetracyclo[7.6.1.03,7.012,16]hexadeca-1(15),3(7),10,12(16),13-pentaen-8-one",NA,"C1CC2=C(C1)NC3=CC=CC4=C3N(C2=O)C=N4","GOKNRDNWMQIRMM-UHFFFAOYSA-N",375447,NA,"PDBC13062","655179","Present",NA,NA
+"13063","2,9,19-Triazatetracyclo[9.8.0.03,8.012,18]nonadeca-1(11),3,5,7,12,14,16,18-octaen-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,9,19-Triazatetracyclo[9.8.0.03,8.012,18]nonadeca-1(11),3,5,7,12,14,16,18-octaen-10-one",NA,"C1=CC=C2C(=NC3=C2C(=O)NC4=CC=CC=C4N3)C=C1","XIUTZPAFRAWZOH-UHFFFAOYSA-N",6711833,NA,"PDBC13063","644721","Present",NA,NA
+"13064","2,9-(Methylenedioxy)-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethyl-8,9-(methylenedioxy)-11H-indeno[1,2-c]isoqu...",NA,"COC1=C(C=C2C3=C(C4=CC5=C(C=C4C3)OCO5)N=CC2=C1)OC.Cl","XJFXRFAHVPNAHA-UHFFFAOYSA-N",11976942,NA,"PDBC13064","709756","Present",NA,NA
+"13065","2,9-Bis(bromomethyl)-1,10-phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,9-Bis(bromomethyl)-1,10-phenanthroline",NA,"C1=CC2=C(C3=C1C=CC(=N3)CBr)N=C(C=C2)CBr","DGDBWGQSYCEWHT-UHFFFAOYSA-N",353741,NA,"PDBC13065","602850","Present",NA,NA
+"13066","2,9-Bis(chloromethyl)-1,10-phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,9-Bis(chloromethyl)-1,10-phenanthroline",NA,"C1=CC2=C(C3=C1C=CC(=N3)CCl)N=C(C=C2)CCl","VHSRCSBZOPMBPA-UHFFFAOYSA-N",353740,NA,"PDBC13066","602849","Present",NA,NA
+"13067","2,9-Diamine, N,N,N',N'-tetrakis(2-chloroethyl)-, dihydrochloride (MF1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Nonadiyne-1,9-diamine, N,N,N',N'-tetrakis(2-chloroet...",NA,"C(CC#CCN(CCCl)CCCl)CC#CCN(CCCl)CCCl.Cl","UDASEIAOTOTJCW-UHFFFAOYSA-N",54598368,NA,"PDBC13067","169716","Present",NA,NA
+"13068","2,9-Dibenzyl-1-methyl-7-phenylmethoxypyrido[3,4-b]indol-2-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-benzyl-7-benzyloxy-2-benzyl-1-methyl-9H-carbolinium br...",NA,"CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6","BRLRIFFHVZNKFH-UHFFFAOYSA-N",54766738,NA,"PDBC13068","760180","Present",NA,NA
+"13069","2,9-Dimethoxy-6-(2-(piperidin-1-yl)ethoxy)-11H-indeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,9-dimethoxy-6-(2-(piperidin-1-yl)ethoxy)-11H-indeno[1,...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=CC(=C4)OC)N=C3OCCN5CCCCC5","AOOSGAURZWVDSJ-UHFFFAOYSA-N",54673454,NA,"PDBC13069","754240","Present",NA,NA
+"13070","2,9-Dimethylellipticinium acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,9-dimethylellipticinium acetate",NA,"CC1=CC2=C(C=C1)NC3=C2C(=C4C=[N+](C=CC4=C3C)C)C.CC(=O)[O-]","UFHIGSVKGJUWBM-UHFFFAOYSA-N",10472068,NA,"PDBC13070","639364","Present",NA,NA
+"13071","2,9-dibromopaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,9-dibromopaullone",NA,"C1C2=C(C3=C(C=CC(=C3)Br)NC1=O)NC4=C2C=C(C=C4)Br","KIZLESRPUNYYNU-UHFFFAOYSA-N",395804,NA,"PDBC13071","700692","Present",NA,NA
+"13072","2,9]Undecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-bishydroxyimino-1-methyl-4-(4-morpholinyl)-tricyclo[...",NA,"CC12CC3CCC(=NO)C(C1)C3(CC2=NO)N4CCOCC4","GKELHXYNBNIXOX-XINBEAJESA-N",9571466,NA,"PDBC13072","666708","Present",NA,NA
+"13073","2-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-2-ethyl-1-butanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-2-ethyl-1-butanol",NA,"CCC(CC)(CNC1=CC(=NC(=N1)N)Cl)CO","YIAWJZURLDKQHU-UHFFFAOYSA-N",385212,NA,"PDBC13073","676325","Present",NA,NA
+"13074","2-(((2-Hydroxyethyl)(methyl)amino)methyl)-3-pyridinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((2-Hydroxyethyl)(methyl)amino)methyl)-3-pyridinol",NA,"CN(CCO)CC1=C(C=CC=N1)O","UNAOAABHBPDLMI-UHFFFAOYSA-N",258769,NA,"PDBC13074","88065","Present",NA,NA
+"13075","2-(((3,4-Dimethoxyphenyl)thio)methyl)-1,4-dimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((3,4-Dimethoxyphenyl)thio)methyl)-1,4-dimethoxybenzene",NA,"COC1=CC(=C(C=C1)OC)CSC2=CC(=C(C=C2)OC)OC","WDYADNBAOWNPID-UHFFFAOYSA-N",384141,NA,"PDBC13075","673428","Present",NA,NA
+"13076","2-(((3-(4-Methylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino)carbonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((3-(4-Methylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)amino)carbonyl)benzoic acid",NA,"CC1=CC=C(C=C1)C2=NNC(=O)N2NC(=O)C3=CC=CC=C3C(=O)O","QQRWCWVNNZNERE-UHFFFAOYSA-N",386450,NA,"PDBC13076","678479","Present",NA,NA
+"13077","2-(((3-Chloro-4-(4-chlorophenoxy)phenyl)imino)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((3-Chloro-4-(4-chlorophenoxy)phenyl)imino)methyl)phenol",NA,"C1=CC=C(C(=C1)C=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl)O","VYOWGNPASOCHRS-UHFFFAOYSA-N",392947,NA,"PDBC13077","694161","Present",NA,NA
+"13078","2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-phenylhydrazinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-phenylhydrazinecarbothioamide",NA,"C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NNC(=S)NC3=CC=CC=C3)C4=CC=CC=C4","DYGUFDBATCHVTI-UHFFFAOYSA-N",3004405,NA,"PDBC13078","650817","Present",NA,NA
+"13079","2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-propylhydrazinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((4,5-Diphenyl-1H-imidazol-2-yl)thio)acetyl)-N-propylhydrazinecarbothioamide",NA,"CCCNC(=S)NNC(=O)CSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3","YBWWXYYYMOZLFA-UHFFFAOYSA-N",3004404,NA,"PDBC13079","650816","Present",NA,NA
+"13080","2-(((4-Methyl-2-oxo-2H-chromen-7-yl)oxy)methyl)-3-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((4-Methyl-2-oxo-2H-chromen-7-yl)oxy)methyl)-3-phenyl-4(3H)-quinazolinone",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5","ACHBDNDMAZNYLJ-UHFFFAOYSA-N",370242,NA,"PDBC13080","643012","Present",NA,NA
+"13081","2-(((Acetyloxy)imino)methyl)-3-pyridinyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((Acetyloxy)imino)methyl)-3-pyridinyl acetate",NA,"CC(=O)OC1=C(N=CC=C1)C=NOC(=O)C","PASSJYOVVYMNDP-WUXMJOGZSA-N",9571334,NA,"PDBC13081","644878","Present",NA,NA
+"13082","2-(((Aminocarbonyl)amino)carbonyl)cyclohexanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((Aminocarbonyl)amino)carbonyl)cyclohexanecarboxylic acid",NA,"C1CCC(C(C1)C(=O)NC(=O)N)C(=O)O","MWBBAOUJSUEBDM-UHFFFAOYSA-N",271298,NA,"PDBC13082","114766","Present",NA,NA
+"13083","2-(((Benzoylamino)(isopropylamino)methylene)amino)-5-(ethylthio)-1H-pyrrole-3,4-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3.4-dicarbamoyl-5-ethylthiopyrrol-2-yl)-N'-benzoyl-N'...",NA,"CCSC1=C(C(=C(N1)NC(=NC(C)C)NC(=O)C2=CC=CC=C2)C(=O)N)C(=O)N","BEQDXDPJYMYIOC-UHFFFAOYSA-N",378536,NA,"PDBC13083","661170","Present",NA,NA
+"13084","2-((1,2-Bis(2-chlorophenyl)hydrazino)methyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1,2-Bis(2-chlorophenyl)hydrazino)methyl)pyridine",NA,"C1=CC=C(C(=C1)NN(CC2=CC=CC=N2)C3=CC=CC=C3Cl)Cl","CZQPBYNQKJYXJR-UHFFFAOYSA-N",283212,NA,"PDBC13084","137579","Present",NA,NA
+"13085","2-((1,2-Diphenylhydrazino)methyl)pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1,2-Diphenylhydrazino)methyl)pyrazine",NA,"C1=CC=C(C=C1)NN(CC2=NC=CN=C2)C3=CC=CC=C3","VBXKYNWQDHSKJK-UHFFFAOYSA-N",283213,NA,"PDBC13085","137580","Present",NA,NA
+"13086","2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)-1,3-thiazolidine-2-carboxylic acid 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)-1,3-thiazolidine-2-carboxylic acid 1,1-dioxide",NA,"C1CS(=O)(=O)C(N1)(CN2C(=O)C3=CC=CC=C3C2=O)C(=O)O","UUEDUBJECGVUTD-UHFFFAOYSA-N",274695,NA,"PDBC13086","120877","Present",NA,NA
+"13087","2-((1,4-Dimethoxy-9-acridinyl)thio)-N,N-diethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1,4-Dimethoxy-9-acridinyl)thio)-N,N-diethylethanamine",NA,"CCN(CC)CCSC1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)OC","JZXAAMBURSYXLD-UHFFFAOYSA-N",362326,NA,"PDBC13087","625985","Present",NA,NA
+"13088","2-((1-(3,4-Dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-(3,4-Dichlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid",NA,"CC(C)(CN1CCCCC1)C(=O)CC(C2=CC(=C(C=C2)Cl)Cl)SCCS(=O)(=O)O","CCUSHBCCOCSMDD-UHFFFAOYSA-N",377756,NA,"PDBC13088","659347","Present",NA,NA
+"13089","2-((1-(3-(2-Methoxyanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-(3-(2-Methoxyanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,"CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2OC)C)N=NC3=CC=CC=C3C(=O)O","DTCIRRCZDNEKGA-UHFFFAOYSA-N",369705,NA,"PDBC13089","641752","Present",NA,NA
+"13090","2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,"CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=C(C=C2)Cl)C)N=NC3=CC=CC=C3C(=O)O","IISKFTLOZHCANH-UHFFFAOYSA-N",369706,NA,"PDBC13090","641753","Present",NA,NA
+"13091","2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-(3-(4-Chloroanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,"C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=CC=C5C(=O)O","DKHWWLRHWKHLRD-UHFFFAOYSA-N",383189,NA,"PDBC13091","671310","Present",NA,NA
+"13092","2-((1-(3-(4-Methoxyanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-(3-(4-Methoxyanilino)-3-oxopropanoyl)-3,5-dimethyl-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,"CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=C(C=C2)OC)C)N=NC3=CC=CC=C3C(=O)O","QNWOKZPUFYMYEW-UHFFFAOYSA-N",369704,NA,"PDBC13092","641751","Present",NA,NA
+"13093","2-((1-(3-(4-Methoxyanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-(3-(4-Methoxyanilino)-3-oxopropanoyl)-3,5-diphenyl-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4C(=O)O)C5=CC=CC=C5","HFAVYURVBBQBOW-UHFFFAOYSA-N",369708,NA,"PDBC13093","641755","Present",NA,NA
+"13094","2-((1-(3-(Hydroxy(oxido)amino)phenyl)ethyl)amino)-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-(3-(Hydroxy(oxido)amino)phenyl)ethyl)amino)-4,5-dihydro-1,3-oxazole",NA,"CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2=NCCO2","KVVHQNQNFJVBTN-UHFFFAOYSA-N",379841,NA,"PDBC13094","664973","Present",NA,NA
+"13095","2-((1-(4-Chlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-(4-Chlorophenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid",NA,"CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)Cl)SCCS(=O)(=O)O","XTBVWNNCEKSYAE-UHFFFAOYSA-N",377755,NA,"PDBC13095","659346","Present",NA,NA
+"13096","2-((1-(4-Methoxyphenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-(4-Methoxyphenyl)-4,4-dimethyl-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid",NA,"CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)OC)SCCS(=O)(=O)O","KLOBKYUHYUPQQP-UHFFFAOYSA-N",377754,NA,"PDBC13096","659345","Present",NA,NA
+"13097","2-((1-Adamantyl(methyl)amino)methyl)-3-piperidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(N-Adamant-1-yl-N-methyl)amino]methyl]-3-hydroxy- pi...",NA,"CN(CC1C(CCCN1)O)C23CC4CC(C2)CC(C4)C3","SMEQDMDVBRCDML-UHFFFAOYSA-N",368153,NA,"PDBC13097","638502","Present",NA,NA
+"13098","2-((1-Chloro-2-naphthyl)amino)-4H-3,1-benzothiazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-Chloro-2-naphthyl)amino)-4H-3,1-benzothiazin-4-one",NA,"C1=CC=C2C(=C1)C=CC(=C2Cl)NC3=NC4=CC=CC=C4C(=O)S3","YQSYLQBYSMAPKL-UHFFFAOYSA-N",376550,NA,"PDBC13098","657565","Present",NA,NA
+"13099","2-((1-Methoxy-5-oxo-5H-benzo[a]cyclohepten-4-yl)oxy)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-Methoxy-5-oxo-5H-benzo[a]cyclohepten-4-yl)oxy)butanoic acid",NA,"CCC(C(=O)O)OC1=C2C(=C(C=C1)OC)C=CC=CC2=O","FOSKEUOTQUACNL-UHFFFAOYSA-N",361607,NA,"PDBC13099","624792","Present",NA,NA
+"13100","2-((1-Methoxy-5-oxo-5H-benzo[a]cyclohepten-4-yl)oxy)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-Methoxy-5-oxo-5H-benzo[a]cyclohepten-4-yl)oxy)propanoic acid",NA,"CC(C(=O)O)OC1=C2C(=C(C=C1)OC)C=CC=CC2=O","KEMGBYCHTLGPRT-UHFFFAOYSA-N",361606,NA,"PDBC13100","624791","Present",NA,NA
+"13101","2-((13-((2-(Acetyloxy)ethoxy)methyl)-6-benzyl-5,7-dioxo-6,7-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12-yl)methoxy)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[23-(2-Acetyloxyethoxymethyl)-13-benzyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl]methoxy]ethyl acetate",NA,"CC(=O)OCCOCN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)COCCOC(=O)C)C(=O)N(C4=O)CC7=CC=CC=C7","KHBRSEBZJQSXEZ-UHFFFAOYSA-N",363808,NA,"PDBC13101","629022","Present",NA,NA
+"13102","2-((1H-Benzimidazol-2-ylamino)carbonyl)cyclohexanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F3386-2540",NA,"C1CCC(C(C1)C(=O)NC2=NC3=CC=CC=C3N2)C(=O)O","BERSTTUHHVIHQK-UHFFFAOYSA-N",262228,NA,"PDBC13102","95666","Present",NA,NA
+"13103","2-((1R,2R)-2-Aminocyclohexylamino)-4-(4-(methylsulfonyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1R,2R)-2-aminocyclohexylamino)-4-(4-(methylsulfonyl)...",NA,"CS(=O)(=O)C1=CC=C(C=C1)NC2=NC(=NC3=C2C(=O)NC=C3)NC4CCCCC4N","DVWCWBAFIKQUNR-CABCVRRESA-N",60147618,NA,"PDBC13103","751833","Present",NA,NA
+"13104","2-((1R,2S)-2-Aminocyclohexylamino)-4-(3,5-dimethoxyphenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1R,2S)-2-aminocyclohexylamino)-4-(3,5-dimethoxypheny...",NA,"COC1=CC(=CC(=C1)NC2=NC(=NC3=C2C(=O)NC=C3)NC4CCCCC4N)OC","RLUGWPXUSLZDDZ-HOTGVXAUSA-N",60147620,NA,"PDBC13104","751836","Present",NA,NA
+"13105","2-((2,2-Dimethylpropanoyl)oxy)-1-(((phenylacetyl)oxy)methyl)ethyl octanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2,2-Dimethylpropanoyl)oxy)-1-(((phenylacetyl)oxy)methyl)ethyl octanoate",NA,"CCCCCCCC(=O)OC(COC(=O)CC1=CC=CC=C1)COC(=O)C(C)(C)C","DYLCVHSPZIKFNE-UHFFFAOYSA-N",372447,NA,"PDBC13105","647561","Present",NA,NA
+"13106","2-((2,2-Diphenylcyclopentyl)oxy)vinyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-(2,2-diphenylcyclopentyloxy)ethenyl este...",NA,"C1CC(C(C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC=COC(=O)C4=CC=CC=C4","RTWJDVDJIDAXQA-VXPUYCOJSA-N",3005428,NA,"PDBC13106","699766","Present",NA,NA
+"13107","2-((2,4,7-Trichloro-9H-fluoren-9-yl)amino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2,4,7-Trichloro-9H-fluoren-9-yl)amino)ethanol",NA,"C1=CC2=C(C=C1Cl)C(C3=C2C(=CC(=C3)Cl)Cl)NCCO","DUJIUZARXIXFNP-UHFFFAOYSA-N",283705,NA,"PDBC13107","138756","Present",NA,NA
+"13108","2-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N-(4-methylphenyl)-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(2,4-Dinitrophenyl)hydrazinylidene]-N-(4-methylphenyl)-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide",NA,"CC1=CC=C(C=C1)NC(=O)C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3C(=O)NC(=O)NC3=O","VSJZNBQOTJKDQU-IWIPYMOSSA-N",9555874,NA,"PDBC13108","645888","Present",NA,NA
+"13109","2-((2,7-Dihydroxy-9-acridinyl)thio)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2,7-Dihydroxy-9-acridinyl)thio)acetamide",NA,"C1=CC2=C(C=C1O)C(=C3C=C(C=CC3=N2)O)SCC(=O)N","QOYBWWRICBLLBD-UHFFFAOYSA-N",378724,NA,"PDBC13109","661826","Present",NA,NA
+"13110","2-((2,7-Dimethoxy-9-acridinyl)sulfinyl)-N,N-diethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2,7-Dimethoxy-9-acridinyl)sulfinyl)-N,N-diethylethanamine",NA,"CCN(CC)CCS(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC","CXSKHDXAIRKSGV-UHFFFAOYSA-N",395392,NA,"PDBC13110","699928","Present",NA,NA
+"13111","2-((2-((6-((2-Carboxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)amino)-2-oxoethyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-((6-((2-Carboxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)amino)-2-oxoethyl)amino)benzoic acid",NA,"C1=CC=C(C(=C1)C(=O)O)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O","PBXQKCPZPWVTBM-UHFFFAOYSA-N",390410,NA,"PDBC13111","687764","Present",NA,NA
+"13112","2-((2-((Aminocarbonyl)hydrazono)-3-cyano-5,5-dimethyl-6-oxohexanoyl)amino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-((Aminocarbonyl)hydrazono)-3-cyano-5,5-dimethyl-6-oxohexanoyl)amino)benzamide",NA,"CC(C)(CC(C#N)C(=NNC(=O)N)C(=O)NC1=CC=CC=C1C(=O)N)C=O","NWKZEEJLGRXQMK-LPYMAVHISA-N",5918854,NA,"PDBC13112","641426","Present",NA,NA
+"13113","2-((2-((Methylsulfonyl)oxy)ethyl)-4-(((2-oxo-2H-chromen-6-yl)imino)methyl)anilino)ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin, 6-[[p-[bis(hydroxyethyl)amino]benzylidene]amin...",NA,"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC3=C(C=C2)OC(=O)C=C3","IQUYRTCVGLAKOT-UHFFFAOYSA-N",251586,NA,"PDBC13113","72151","Present",NA,NA
+"13114","2-((2-(4-Chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(4-Chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide",NA,"CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=C(C=C4)Cl","ITFFANOKIFHFKI-UHFFFAOYSA-N",375241,NA,"PDBC13114","654630","Present",NA,NA
+"13115","2-((2-(Acetylamino)-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)methyl)-6-methoxyphenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(Acetylamino)-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-5-yl)methyl)-6-methoxyphenyl acetate",NA,"CC(=O)NC1=NC(=O)C(N1C)CC2=C(C(=CC=C2)OC)OC(=O)C","CFGQXVNKVHFFIC-UHFFFAOYSA-N",376493,NA,"PDBC13115","657438","Present",NA,NA
+"13116","2-((2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)amino)-N-benzylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(Benzoylamino)-3-(2-hydroxyphenyl)acryloyl)amino)-N-benzylbenzamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)C(=CC3=CC=CC=C3O)NC(=O)C4=CC=CC=C4","GHMZCKVFIHXXMB-XHPQRKPJSA-N",6477537,NA,"PDBC13116","686410","Present",NA,NA
+"13117","2-((2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)amino)-N-(2-(4-(dimethylamino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-2-Benzamido-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]benzamide",NA,"CN(C)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)NN3C(SCC3=O)C4=CC=C(C=C4)N(C)C)NC(=O)C5=CC=CC=C5","AGWMFLANVAYZNX-VAMRJTSQSA-N",5923490,NA,"PDBC13117","690948","Present",NA,NA
+"13118","2-((2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)amino)-N-benzylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(Benzoylamino)-3-(4-(dimethylamino)phenyl)acryloyl)amino)-N-benzylbenzamide",NA,"CN(C)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)NCC3=CC=CC=C3)NC(=O)C4=CC=CC=C4","LIGIWABQBAKFAW-ANYBSYGZSA-N",5917744,NA,"PDBC13118","686417","Present",NA,NA
+"13119","2-((2-(Benzoylamino)-3-phenylacryloyl)amino)-N-benzylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(Benzoylamino)-3-phenylacryloyl)amino)-N-benzylbenzamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)C(=CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4","SIAIPSHCCIMTST-OOAXWGSJSA-N",6477539,NA,"PDBC13119","686412","Present",NA,NA
+"13120","2-((2-(Benzoylamino)-3-phenylacryloyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(Benzoylamino)-3-phenylacryloyl)amino)benzoic acid",NA,"C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)C3=CC=CC=C3","KZHJCQDMLQBCSB-HKWRFOASSA-N",6477564,NA,"PDBC13120","690946","Present",NA,NA
+"13121","2-((2-(Cinnamoyloxy)-4-(diethylamino)phenyl)diazenyl)-5-(hydroxy(oxido)amino)phenyl 3-phenylacrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(Cinnamoyloxy)-4-(diethylamino)phenyl)diazenyl)-5-(hydroxy(oxido)amino)phenyl 3-phenylacrylate",NA,"CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])OC(=O)C=CC3=CC=CC=C3)OC(=O)C=CC4=CC=CC=C4","VFEIUJLBRFAALJ-SSYMMPMXSA-N",5812861,NA,"PDBC13121","648071","Present",NA,NA
+"13122","2-((2-(Dimethylamino)ethyl)(methyl)amino)-1-((stearoyloxy)methyl)ethyl stearate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(Dimethylamino)ethyl)(methyl)amino)-1-((stearoyloxy)methyl)ethyl stearate",NA,"CCCCCCCCCCCCCCCCCC(=O)OCC(CN(C)CCN(C)C)OC(=O)CCCCCCCCCCCCCCCCC","IJGPYLYDDWVZNY-UHFFFAOYSA-N",361955,NA,"PDBC13122","625438","Present",NA,NA
+"13123","2-((2-(Hydroxy(oxido)amino)benzyl)thio)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-nitrobenzylthio)-3H-purin-6(7H)-one///NSC211340",NA,"C1=CC=C(C(=C1)CSC2=NC3=C(C(=O)N2)NC=N3)[N+](=O)[O-]","NJLOUSIFCRNUHD-UHFFFAOYSA-N",135451593,NA,"PDBC13123","118207///211340","Present",NA,NA
+"13124","2-((2-Amino-1-cyano-2-oxoethyl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Amino-1-cyano-2-oxoethyl)diazenyl)benzoic acid",NA,"C1=CC=C(C(=C1)C(=O)O)N=NC(C#N)C(=O)N","UNDKEVCLMKXDGZ-UHFFFAOYSA-N",231736,NA,"PDBC13124","28427","Present",NA,NA
+"13125","2-((2-Anilino-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Anilino-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazinecarboxamide",NA,"CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)NNC(=O)N","YJUMDISUEASESU-UHFFFAOYSA-N",367669,NA,"PDBC13125","637598","Present",NA,NA
+"13126","2-((2-Benzyl-3-((4-(hydroxy(oxido)amino)phenyl)thio)propanoyl)amino)-4-methyl-N-phenylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Benzyl-3-((4-(hydroxy(oxido)amino)phenyl)thio)propanoyl)amino)-4-methyl-N-phenylpentanamide",NA,"CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CSC3=CC=C(C=C3)[N+](=O)[O-]","GOCMQBVTHPTLRD-UHFFFAOYSA-N",390248,NA,"PDBC13126","687540","Present",NA,NA
+"13127","2-((2-Benzyl-3-(4-(hydroxy(oxido)amino)phenoxy)propanoyl)amino)-4-methyl-N-phenylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Benzyl-3-(4-(hydroxy(oxido)amino)phenoxy)propanoyl)amino)-4-methyl-N-phenylpentanamide",NA,"CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)COC3=CC=C(C=C3)[N+](=O)[O-]","UVQXHBQLIZCPJS-UHFFFAOYSA-N",390249,NA,"PDBC13127","687541","Present",NA,NA
+"13128","2-((2-Benzyl-3-iodo-2-methylpropanoyl)amino)-4-methyl-N-phenylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Benzyl-3-iodo-2-methylpropanoyl)amino)-4-methyl-N-phenylpentanamide",NA,"CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(C)(CC2=CC=CC=C2)CI","XIPJWXBPVPSNSU-UHFFFAOYSA-N",390250,NA,"PDBC13128","687542","Present",NA,NA
+"13129","2-((2-Benzyl-3-iodopropanoyl)amino)-4-methyl-N-phenylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Benzyl-3-iodopropanoyl)amino)-4-methyl-N-phenylpentanamide",NA,"CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)CI","JVSAMVNCXRHSFH-UHFFFAOYSA-N",390247,NA,"PDBC13129","687539","Present",NA,NA
+"13130","2-((2-Benzyl-4-iodobutanoyl)amino)-4-methyl-N-phenylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Benzyl-4-iodobutanoyl)amino)-4-methyl-N-phenylpentanamide",NA,"CC(C)CC(C(=O)NC1=CC=CC=C1)NC(=O)C(CCI)CC2=CC=CC=C2","YOXNXDPLKDMGEC-UHFFFAOYSA-N",390246,NA,"PDBC13130","687538","Present",NA,NA
+"13131","2-((2-Chloro-1,3-benzodioxol-5-yl)methylene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Chloro-1,3-benzodioxol-5-yl)methylene)malononitrile",NA,"C1=CC2=C(C=C1C=C(C#N)C#N)OC(O2)Cl","HECLSTDDTVREDK-UHFFFAOYSA-N",379429,NA,"PDBC13131","663974","Present",NA,NA
+"13132","2-((2-Hydroxy-1-naphthyl)diazenyl)anthra-9,10-quinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Hydroxy-1-naphthyl)diazenyl)anthra-9,10-quinone",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)O","KESOSAWCVMRUDN-UHFFFAOYSA-N",413160,NA,"PDBC13132","45211","Present",NA,NA
+"13133","2-((2-Hydroxy-5-isopropyl-3-oxo-1,4,6-cycloheptatrien-1-yl)(4-methoxyphenyl)methyl)-3-methylnaphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-3-methylnaphthalene-1,4-dione",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)C(C3=CC=C(C=C3)OC)C4=C(C(=O)C=C(C=C4)C(C)C)O","VCPFNERIPDUIQD-UHFFFAOYSA-N",361383,NA,"PDBC13133","624407","Present",NA,NA
+"13134","2-((2-Hydroxyethyl)(methyl)amino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Hydroxyethyl)(methyl)amino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-ol",NA,"CN(CCO)C1=NC2=C(CNCC2)C(=O)N1","OHAUYDWFERNNCH-UHFFFAOYSA-N",135408993,NA,"PDBC13134","652576","Present",NA,NA
+"13135","2-((2-Hydroxyethyl)(methyl)amino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Hydroxyethyl)(methyl)amino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol",NA,"CN(CCO)C1=NC2=C(CCC2)C(=O)N1","RHDUMHPXCHVBGF-UHFFFAOYSA-N",135408992,NA,"PDBC13135","652575","Present",NA,NA
+"13136","2-((2-Hydroxyethyl)amino)-N,N-dimethyl-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Hydroxyethyl)amino)-N,N-dimethyl-2-phenylacetamide",NA,"CN(C)C(=O)C(C1=CC=CC=C1)NCCO","YMYYEXATVAZWJY-UHFFFAOYSA-N",344142,NA,"PDBC13136","400883","Present",NA,NA
+"13137","2-((2-Methoxyethoxy)methoxy)-1-propene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2'-Methoxyethoxy methyl)oxy prop-2-ene",NA,"CC(=C)OCOCCOC","BEJVAKJWTGFTIW-UHFFFAOYSA-N",376762,NA,"PDBC13137","657818","Present",NA,NA
+"13138","2-((2-Methoxyphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Methoxyphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione",NA,"COC1=CC=CC=C1N=NC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","LLSICZJZRXBVNC-UHFFFAOYSA-N",369128,NA,"PDBC13138","640676","Present",NA,NA
+"13139","2-((2-Methyl-2-propenyl)oxy)tetrahydro-2H-pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Tetrahydro-2H-pyran-2yl)oxy-2-methyl prop-2-ene",NA,"CC(=C)COC1CCCCO1","WEINLSIXIYLFET-UHFFFAOYSA-N",376761,NA,"PDBC13139","657817","Present",NA,NA
+"13140","2-((2-Methylphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Methylphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione",NA,"CC1=CC=CC=C1N=NC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","URUHRRSCTBUPDX-UHFFFAOYSA-N",369123,NA,"PDBC13140","640671","Present",NA,NA
+"13141","2-((2-Nitrophenyl)thio)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z31239048",NA,"C1=CC=C(C(=C1)C(=O)O)SC2=CC=CC=C2[N+](=O)[O-]","SUOKPGGNWNCXQT-UHFFFAOYSA-N",376978,NA,"PDBC13141","658183","Present",NA,NA
+"13142","2-((2-Phenylethyl)thio)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Phenylethyl)thio)ethanamine",NA,"C1=CC=C(C=C1)CCSCCN","XTJWHAGJSCTAFW-UHFFFAOYSA-N",305435,NA,"PDBC13142","202409","Present",NA,NA
+"13143","2-((2E)-2-{1-[(3-Hydroxy-6-nitroquinoxalin-2-yl)methyl]-2-[(6-nitro-1,3-benzothiazol-2-yl)amino]-2-oxoethylidene}hydrazino)-N,N,N-trimethyl-2-oxoethanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[2-[(2E)-2-[1-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]azanium;chloride",NA,"C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-].[Cl-]","WFMXWXLMMGBUQR-UHFFFAOYSA-N",9574392,NA,"PDBC13143","649823","Present",NA,NA
+"13144","2-((2E)-2-{2-[(2-Tert-butyl-6-methylphenyl)amino]-1-[(3-hydroxy-6-nitroquinoxalin-2-yl)methyl]-2-oxoethylidene}hydrazino)-N,N,N-trimethyl-2-oxoethanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2E)-2-[1-(2-Tert-butyl-6-methylanilino)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=NNC(=O)C[N+](C)(C)C)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O.[Cl-]","GNSRRECOCLLXLK-UHFFFAOYSA-N",9574390,NA,"PDBC13144","649586","Present",NA,NA
+"13145","2-((2E)-2-{5-[(2,5-Dimethoxyphenyl)amino]-1-[2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl]-5-oxopentylidene}hydrazino)-N,N,N-trimethyl-2-oxoethanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2E)-2-[7-(2,5-Dimethoxyanilino)-1-(4-hydroxy-3-methoxyphenyl)-1,7-dioxoheptan-3-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"C[N+](C)(C)CC(=O)NN=C(CCCC(=O)NC1=C(C=CC(=C1)OC)OC)CC(=O)C2=CC(=C(C=C2)O)OC.[Cl-]","AJRKVOIVZZDZKY-ZHHZSZKJSA-N",9569986,NA,"PDBC13145","630313","Present",NA,NA
+"13146","2-((2E)-2-{[4,5-Bis(2-hydroxy-1-naphthyl)-3-nitro-2-furyl]methylene}hydrazino)-N,N,N-trimethyl-2-oxoethanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2E)-2-[[4,5-Bis(2-hydroxynaphthalen-1-yl)-3-nitrofuran-2-yl]methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"C[N+](C)(C)CC(=O)NN=CC1=C(C(=C(O1)C2=C(C=CC3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O)[N+](=O)[O-].[Cl-]","AOQCFIRXGLRMCE-UHFFFAOYSA-N",135483933,NA,"PDBC13146","647262","Present",NA,NA
+"13147","2-((3,4-Dichloro-1-methyl-1H-pyrazol-5-yl)sulfinyl)ethyl isopropylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3,4-Dichloro-1-methyl-1H-pyrazol-5-yl)sulfinyl)ethyl isopropylcarbamate",NA,"CC(C)NC(=O)OCCS(=O)C1=C(C(=NN1C)Cl)Cl","VFALHXWQOVJNQU-UHFFFAOYSA-N",355403,NA,"PDBC13147","608858","Present",NA,NA
+"13148","2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)-6-hydroxy-4-pyrimidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)-6-hydroxy-4-pyrimidinecarboxylic acid",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=NC(=CC(=O)N3)C(=O)O","BCRIVNNGVIEOOU-UHFFFAOYSA-N",135451595,NA,"PDBC13148","125252","Present",NA,NA
+"13149","2-((3,5-Di-tert-Butyl-4-hydroxyphenyl)-methylene)-4-cyclopentene-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopent-4-ene-1,3-dione, 2-[[4-hydroxy-3,5-bis(1,1-dim...",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)C=CC2=O","VUEUMQIBGLKJJD-UHFFFAOYSA-N",403661,NA,"PDBC13149","718729","Present",NA,NA
+"13150","2-((3,5-Dimethyl-1-(3-oxo-3-(4-toluidino)propanoyl)-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3,5-Dimethyl-1-(3-oxo-3-(4-toluidino)propanoyl)-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O)C","UDKJZSBCHUOBAD-UHFFFAOYSA-N",369703,NA,"PDBC13150","641750","Present",NA,NA
+"13151","2-((3-(((5-((2,4-Bis(phosphonomethyl)anilino)carbonyl)-2-methylanilino)carbonyl)amino)-4-methylbenzoyl)amino)-5-(phosphonomethyl)benzylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[[3-[[5-[[2,4-Bis(phosphonomethyl)phenyl]carbamoyl]-2-methylphenyl]carbamoylamino]-4-methylbenzoyl]amino]-5-(phosphonomethyl)phenyl]methylphosphonic acid",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)O)CP(=O)(O)O)NC(=O)NC3=C(C=CC(=C3)C(=O)NC4=C(C=C(C=C4)CP(=O)(O)O)CP(=O)(O)O)C","NYOUWBIORCTLNY-UHFFFAOYSA-N",388396,NA,"PDBC13151","683280","Present",NA,NA
+"13152","2-((3-((3-Aminobenzoyl)amino)-4-methylbenzoyl)amino)-5-(phosphonomethyl)benzylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-((3-Aminobenzoyl)amino)-4-methylbenzoyl)amino)-5-(phosphonomethyl)benzylphosphonic acid",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)O)CP(=O)(O)O)NC(=O)C3=CC(=CC=C3)N","WMAYLMUZFCUDDH-UHFFFAOYSA-N",388397,NA,"PDBC13152","683281","Present",NA,NA
+"13153","2-((3-(3-Hydroxy-2-quinoxalinyl)-2-oxopropanoyl)amino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-(3-Hydroxy-2-quinoxalinyl)-2-oxopropanoyl)amino)benzamide",NA,"C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=O)CC2=NC3=CC=CC=C3NC2=O","RNHSYZXBGWOANI-UHFFFAOYSA-N",371860,NA,"PDBC13153","646380","Present",NA,NA
+"13154","2-((3-(3-Methoxyphenyl)-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-(3-Methoxyphenyl)-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol",NA,"COC1=CC=CC(=C1)C2=NN(C(=N2)C3=NC=CN=C3)COCCO","BTVZCDNKLLVBOJ-UHFFFAOYSA-N",375973,NA,"PDBC13154","656339","Present",NA,NA
+"13155","2-((3-(4-Methoxyphenyl)-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-(4-Methoxyphenyl)-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol",NA,"COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)COCCO","XZCNBTHYEKRGTP-UHFFFAOYSA-N",375972,NA,"PDBC13155","656338","Present",NA,NA
+"13156","2-((3-(Hydroxy(oxido)amino)phenyl)sulfonyl)-N-methylhydrazinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-(Hydroxy(oxido)amino)phenyl)sulfonyl)-N-methylhydrazinesulfonamide",NA,"CNS(=O)(=O)NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]","UHHZTHNHQGGOQT-UHFFFAOYSA-N",367383,NA,"PDBC13156","637072","Present",NA,NA
+"13157","2-((3-Amino-4-methylbenzoyl)amino)-5-(phosphonomethyl)benzylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-Amino-4-methylbenzoyl)amino)-5-(phosphonomethyl)benzylphosphonic acid",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)O)CP(=O)(O)O)N","OFKYAKASINNOHF-UHFFFAOYSA-N",388395,NA,"PDBC13157","683279","Present",NA,NA
+"13158","2-((3-Aminopropyl)amino)ethanethiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WR 1065",NA,"C(CN)CNCCS","YHPLKWQJMAYFCN-UHFFFAOYSA-N",104807,NA,"PDBC13158","647527","Present",NA,NA
+"13159","2-((3-Benzoyl-2-oxo-2H-chromen-7-yl)oxy)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-Benzoyl-2-oxo-2H-chromen-7-yl)oxy)propanoic acid",NA,"CC(C(=O)O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=CC=C3","JSOGZGCJVIPYCF-UHFFFAOYSA-N",363673,NA,"PDBC13159","628746","Present",NA,NA
+"13160","2-((3-Carboxypropanoyl)(methyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBKinase1_000250",NA,"CN(C1=CC=CC=C1C(=O)O)C(=O)CCC(=O)O","IAVFCZYWCISZSF-UHFFFAOYSA-N",389686,NA,"PDBC13160","686141","Present",NA,NA
+"13161","2-((3-Chlorophenyl)hydrazono)-N-(2,6-dichloro-4-(hydroxy(oxido)amino)phenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(3-Chlorophenyl)hydrazinylidene]-N-(2,6-dichloro-4-nitrophenyl)-2-(4-hydroxy-2-oxochromen-3-yl)acetamide",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=NNC3=CC(=CC=C3)Cl)C(=O)NC4=C(C=C(C=C4Cl)[N+](=O)[O-])Cl)O","IVPVQHCZUAATCO-BRPDVVIDSA-N",135499255,NA,"PDBC13161","647100","Present",NA,NA
+"13162","2-((3-Chloropropyl)thio)cyclododecanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-Chloropropyl)thio)cyclododecanol",NA,"C1CCCCCC(C(CCCC1)O)SCCCCl","MPLQAZSCVSCAGR-UHFFFAOYSA-N",380703,NA,"PDBC13162","666409","Present",NA,NA
+"13163","2-((3-Hydroxy-2-naphthoyl)hydrazono)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-Hydroxy-2-naphthoyl)hydrazono)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)acetamide",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C(=O)N","KMXALHWMNYJUND-BWAHOGKJSA-N",9570015,NA,"PDBC13163","632012","Present",NA,NA
+"13164","2-((3-Methyl-1,2,3,4-tetrahydro-2-quinoxalinyl)methylene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-Methyl-1,2,3,4-tetrahydro-2-quinoxalinyl)methylene)malononitrile",NA,"CC1C(NC2=CC=CC=C2N1)C=C(C#N)C#N","QCGCVKUZGQLQCR-UHFFFAOYSA-N",365590,NA,"PDBC13164","633391","Present",NA,NA
+"13165","2-((3-Nitrobenzyl)thio)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-nitrobenzylthio)-3H-purin-6(7H)-one",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC3=C(C(=O)N2)NC=N3","DIKVHTCRLXZEJN-UHFFFAOYSA-N",135451594,NA,"PDBC13165","118208","Present",NA,NA
+"13166","2-((3-Phenyl-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-Phenyl-5-(2-pyrazinyl)-1H-1,2,4-triazol-1-yl)methoxy)ethanol",NA,"C1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)COCCO","NLVPWMWFABYVAA-UHFFFAOYSA-N",375971,NA,"PDBC13166","656337","Present",NA,NA
+"13167","2-((3-Pyridinylmethyl)thio)-3-(2-thienyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-Pyridinylmethyl)thio)-3-(2-thienyl)quinoxaline",NA,"C1=CC=C2C(=C1)N=C(C(=N2)SCC3=CN=CC=C3)C4=CC=CS4","GHSYUXKAUPPTSS-UHFFFAOYSA-N",374666,NA,"PDBC13167","652766","Present",NA,NA
+"13168","2-((3-Quinolinylmethyl)sulfinyl)-3-(2-thienyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(quinolin-3-ylmethylsulfinyl)-3-(thiophen-2-yl)quinoxa...",NA,"C1=CC=C2C(=C1)C=C(C=N2)CS(=O)C3=NC4=CC=CC=C4N=C3C5=CC=CS5","GCUSBHRMPQHXPM-UHFFFAOYSA-N",374670,NA,"PDBC13168","652770","Present",NA,NA
+"13169","2-((4,4-Dimethyl-1-(4-methylphenyl)-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4,4-Dimethyl-1-(4-methylphenyl)-3-oxo-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid",NA,"CC1=CC=C(C=C1)C(CC(=O)C(C)(C)CN2CCCCC2)SCCS(=O)(=O)O","LGXLALWCPHRYSF-UHFFFAOYSA-N",377753,NA,"PDBC13169","659344","Present",NA,NA
+"13170","2-((4,4-Dimethyl-2,6-dioxocyclohexyl)methyl)-1H-indene-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4,4-Dimethyl-2,6-dioxocyclohexyl)methyl)-1H-indene-1,3(2H)-dione",NA,"CC1(CC(=O)C(C(=O)C1)CC2C(=O)C3=CC=CC=C3C2=O)C","MYIHHCUWXKCHDY-UHFFFAOYSA-N",372142,NA,"PDBC13170","647096","Present",NA,NA
+"13171","2-((4,4-Dimethyl-3-oxo-1-phenyl-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4,4-Dimethyl-3-oxo-1-phenyl-5-(1-piperidinyl)pentyl)thio)ethanesulfonic acid",NA,"CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=CC=C2)SCCS(=O)(=O)O","YCBDINIVTFNIDF-UHFFFAOYSA-N",377752,NA,"PDBC13171","659343","Present",NA,NA
+"13172","2-((4,5-Diphenyl-1,3-oxazol-2-yl)thio)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4,5-Diphenyl-1,3-oxazol-2-yl)thio)ethanamine",NA,"C1=CC=C(C=C1)C2=C(OC(=N2)SCCN)C3=CC=CC=C3","DNITTWSXYHDGKU-UHFFFAOYSA-N",324144,NA,"PDBC13172","288391","Present",NA,NA
+"13173","2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide",NA,"CC(C)C(C(=O)NN)SC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3","IWTVSCLZMFXYHC-UHFFFAOYSA-N",373850,NA,"PDBC13173","650813","Present",NA,NA
+"13174","2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-(hydroxy(oxido)amino)benzylidene)-3-methylbutanohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanyl]-3-methyl-N-[(E)-(4-nitrophenyl)methylideneamino]butanamide",NA,"CC(C)C(C(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","GOFSCAUHNXGMPD-OGLMXYFKSA-N",9555906,NA,"PDBC13174","650814","Present",NA,NA
+"13175","2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-(hydroxy(oxido)amino)benzylidene)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-(hydroxy(oxido)amino)benzylidene)acetohydrazide",NA,"C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","MPOFVEKUUXMBJY-MFKUBSTISA-N",9555904,NA,"PDBC13175","650811","Present",NA,NA
+"13176","2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-hydroxybenzylidene)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-N'-(4-hydroxybenzylidene)acetohydrazide",NA,"C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NN=CC3=CC=C(C=C3)O)C4=CC=CC=C4","FYAFZVOSXPDBJW-MFKUBSTISA-N",135499312,NA,"PDBC13176","650809","Present",NA,NA
+"13177","2-((4,7-Dimethyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4,7-Dimethyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid",NA,"CC1=C2CC(C(=O)C2=C(C=C1)C)CC3=CC=CC=C3C(=O)O","WXWMYJQXTKDZLM-UHFFFAOYSA-N",386194,NA,"PDBC13177","677816","Present",NA,NA
+"13178","2-((4-(((2,4-Diaminopteridin-6-yl)methyl)methylamino)phenyl)carbonylamino)-4-sulfobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Amino-4-deoxy-N10-methypteroyl)-D,L-homocysteic acid",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCS(=O)(=O)O)C(=O)O","AZBMALLCUFVCHQ-UHFFFAOYSA-N",393791,NA,"PDBC13178","696558","Present",NA,NA
+"13179","2-((4-((4-((4,6-Dimethoxy-1,3,5-triazin-2-yl)thio)phenyl)thio)phenyl)thio)-4,6-dimethoxy-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-((4-((4,6-Dimethoxy-1,3,5-triazin-2-yl)thio)phenyl)thio)phenyl)thio)-4,6-dimethoxy-1,3,5-triazine",NA,"COC1=NC(=NC(=N1)SC2=CC=C(C=C2)SC3=CC=C(C=C3)SC4=NC(=NC(=N4)OC)OC)OC","BEBPZDCNGGPLQY-UHFFFAOYSA-N",375847,NA,"PDBC13179","656100","Present",NA,NA
+"13180","2-((4-((4-Chlorophenyl)diazenyl)-3-methoxyanilino)methyl)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-((4-Chlorophenyl)diazenyl)-3-methoxyanilino)methyl)malononitrile",NA,"COC1=C(C=CC(=C1)NCC(C#N)C#N)N=NC2=CC=C(C=C2)Cl","RHCCMWMRCRPEBD-UHFFFAOYSA-N",367994,NA,"PDBC13180","638219","Present",NA,NA
+"13181","2-((4-(1-Benzothien-2-yl)-2-pyrimidinyl)thio)-N,N-dimethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-(1-Benzothien-2-yl)-2-pyrimidinyl)thio)-N,N-dimethylethanamine",NA,"CN(C)CCSC1=NC=CC(=N1)C2=CC3=CC=CC=C3S2","BKVNIDQDQPBBDU-UHFFFAOYSA-N",358884,NA,"PDBC13181","619013","Present",NA,NA
+"13182","2-((4-(2,2,2-Trifluoro-1-hydroxyethyl)anilino)methyl)-1,4-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenemethanol, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-...",NA,"C1=CC(=CC=C1C(C(F)(F)F)O)NCC2=C(C=CC(=C2)O)O","YPAWXJGXRNYNDI-UHFFFAOYSA-N",390890,NA,"PDBC13182","689001","Present",NA,NA
+"13183","2-((4-(2-((2,2-Dicyanovinyl)amino)ethyl)-1-piperazinyl)methylene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedinitrile, [[4-[2-[(2,2-dicyanoethenyl)amino]ethy...",NA,"C1CN(CCN1CCNC=C(C#N)C#N)C=C(C#N)C#N","ZKPDRENHARTYFL-UHFFFAOYSA-N",335063,NA,"PDBC13183","343040","Present",NA,NA
+"13184","2-((4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanoyl)amino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanoyl)amino)benzamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5C(=O)N","HQNHPBCBHFGHNN-UHFFFAOYSA-N",369482,NA,"PDBC13184","641252","Present",NA,NA
+"13185","2-((4-(3,4-Dimethoxyphenyl)-6-imino-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(3,4-dimethoxy...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=CC=C4O","KOAOKQRQOBUGNE-UHFFFAOYSA-N",376877,NA,"PDBC13185","657997","Present",NA,NA
+"13186","2-((4-(4-Chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-(4-Chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)propanoic acid",NA,"CC(C(=O)O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)Cl","ZTSMKGAUNRZWKZ-UHFFFAOYSA-N",363672,NA,"PDBC13186","628745","Present",NA,NA
+"13187","2-((4-(5-(2-Furyl)-1-(4-(hydroxy(oxido)amino)phenyl)-4,5-dihydro-1H-pyrazol-3-yl)anilino)methyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1H-Benzimidazol-2-ylmethyl)-4-[3-(furan-2-yl)-2-(4-nitrophenyl)-3,4-dihydropyrazol-5-yl]aniline",NA,"C1C(N(N=C1C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CO6","RROAABDFHLYJJV-UHFFFAOYSA-N",374046,NA,"PDBC13187","651242","Present",NA,NA
+"13188","2-((4-(5-(4-(Hydroxy(oxido)amino)phenyl)-4,5-dihydro-3-isoxazolyl)anilino)methyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-(5-(4-(Hydroxy(oxido)amino)phenyl)-4,5-dihydro-3-isoxazolyl)anilino)methyl)-1H-benzimidazole",NA,"C1C(ON=C1C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3)C5=CC=C(C=C5)[N+](=O)[O-]","ZLRDWSSRHRPHAJ-UHFFFAOYSA-N",374045,NA,"PDBC13188","651241","Present",NA,NA
+"13189","2-((4-(Hydroxy(oxido)amino)phenyl)hydrazono)-N-methyl-N'-phenylpropanohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-(Hydroxy(oxido)amino)phenyl)hydrazono)-N-methyl-N'-phenylpropanohydrazide",NA,"CC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N(C)NC2=CC=CC=C2","SHYDLYJPKGQUNY-SFQUDFHCSA-N",5910426,NA,"PDBC13189","655055","Present",NA,NA
+"13190","2-((4-Amino-2-methylphenyl)diazenyl)-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m-Toluenesulfonamide, 6-[(4-amino-o-tolyl)azo]-",NA,"CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N)C)S(=O)(=O)N","UFCBDPKSFCONKF-UHFFFAOYSA-N",239838,NA,"PDBC13190","45527","Present",NA,NA
+"13191","2-((4-Amino-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Amino-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)methoxy)ethanol",NA,"CC1=C(N(C2=NC=NC(=C12)N)COCCO)C","FZFBXJAPMOVMEH-UHFFFAOYSA-N",374131,NA,"PDBC13191","651558","Present",NA,NA
+"13192","2-((4-Amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-(4-bromophenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-(4-bromophenyl)ethanone",NA,"COC1=C(C=C(C=C1)C2=C3C(=NC(=NC3=NC4=C2CCCC4)SCC(=O)C5=CC=C(C=C5)Br)N)OC","LWYQYRVISUFGBQ-UHFFFAOYSA-N",381065,NA,"PDBC13192","667084","Present",NA,NA
+"13193","2-((4-Amino-5-carboxy-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-3-hydroxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Amino-5-carboxy-3,6-dioxo-1,4-cyclohexadien-1-yl)amino)-3-hydroxybenzoic acid",NA,"C1=CC(=O)C(=NC2=CC(=C(C(=C2O)C(=O)O)N)O)C(=C1)C(=O)O","GEZBGWSDMOVDPC-UHFFFAOYSA-N",135429956,NA,"PDBC13193","625326","Present",NA,NA
+"13194","2-((4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)-1-phenylethanone",NA,"C1CCC2=C(C1)C(=C3C(=NC(=NC3=N2)SCC(=O)C4=CC=CC=C4)N)C5=CC=CC=C5","JGTDUIXKILVFMV-UHFFFAOYSA-N",381060,NA,"PDBC13194","667079","Present",NA,NA
+"13195","2-((4-Aminophenyl)diazenyl)-1,3-naphthalenedisulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Aminophenyl)diazenyl)-1,3-naphthalenedisulfonic acid",NA,"C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)N=NC3=CC=C(C=C3)N)S(=O)(=O)O","XPTYWVPRQGSINY-UHFFFAOYSA-N",224977,NA,"PDBC13195","13975","Present",NA,NA
+"13196","2-((4-Anilinophenyl)imino)-1-benzofuran-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Anilinophenyl)imino)-1-benzofuran-3(2H)-one",NA,"C1=CC=C(C=C1)NC2=CC=C(C=C2)N=C3C(=O)C4=CC=CC=C4O3","JMPCSRMBGXOUMT-UHFFFAOYSA-N",380757,NA,"PDBC13196","666464","Present",NA,NA
+"13197","2-((4-Bromophenyl)diazenyl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-bromophenyl)-(2-quinolyl)diazene",NA,"C1=CC=C2C(=C1)C=CC(=N2)N=NC3=CC=C(C=C3)Br","JHSZMQCXWKUICJ-UHFFFAOYSA-N",387104,NA,"PDBC13197","680495","Present",NA,NA
+"13198","2-((4-Chlorobenzyl)amino)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Chlorobenzyl)amino)-9H-purin-6-ol",NA,"C1=CC(=CC=C1CNC2=NC3=C(C(=O)N2)NC=N3)Cl","CYIICQJYPMRJFT-UHFFFAOYSA-N",135478598,NA,"PDBC13198","682523","Present",NA,NA
+"13199","2-((4-Chlorophenyl)methylene)-N-(2-((2-hydroxyethyl)amino)ethyl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Chlorophenyl)methylene)-N-(2-((2-hydroxyethyl)amino)ethyl)hydrazinecarboxamide",NA,"C1=CC(=CC=C1C=NNC(=O)NCCNCCO)Cl","QUKXQDGKCXONGH-CXUHLZMHSA-N",9554132,NA,"PDBC13199","666462","Present",NA,NA
+"13200","2-((4-Ethyl-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)amino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Ethyl-1,1-dioxido-4H-1,2,4-benzothiadiazin-3-yl)amino)ethanol",NA,"CCN1C2=CC=CC=C2S(=O)(=O)NC1=NCCO","VSHPSFFNUPOGJQ-UHFFFAOYSA-N",135429907,NA,"PDBC13200","373861","Present",NA,NA
+"13201","2-((4-Fluorophenoxy)methylene)quinuclidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Fluorophenoxy)methylene)quinuclidin-3-one",NA,"C1CN2CCC1C(=O)C2=COC3=CC=C(C=C3)F","ZVYIHCRICITZFO-UKTHLTGXSA-N",3004964,NA,"PDBC13201","665684","Present",NA,NA
+"13202","2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-3-methylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-3-methylbutanoic acid",NA,"CC(C)C(C(=O)O)OC1=C2C(=C(C=C1)OC)CCCC2=O","WPSIHEUPDMIEEF-UHFFFAOYSA-N",361674,NA,"PDBC13202","624892","Present",NA,NA
+"13203","2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)butanoic acid",NA,"CCC(C(=O)O)OC1=C2C(=C(C=C1)OC)CCCC2=O","BHFITVWINNJZBK-UHFFFAOYSA-N",361602,NA,"PDBC13203","624787","Present",NA,NA
+"13204","2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)propanoic acid",NA,"CC(C(=O)O)OC1=C2C(=C(C=C1)OC)CCCC2=O","LKNCTAJZEKSILD-UHFFFAOYSA-N",361605,NA,"PDBC13204","624790","Present",NA,NA
+"13205","2-((4-Methoxybenzyl)thio)-3-(2-thienyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Methoxybenzyl)thio)-3-(2-thienyl)quinoxaline",NA,"COC1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N=C2C4=CC=CS4","DTCCLDXTFMAPPW-UHFFFAOYSA-N",374669,NA,"PDBC13205","652769","Present",NA,NA
+"13206","2-((4-Methoxyphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Methoxyphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione",NA,"COC1=CC=C(C=C1)N=NC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","WVAAOZMKRUBFAQ-UHFFFAOYSA-N",369129,NA,"PDBC13206","640677","Present",NA,NA
+"13207","2-((4-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid",NA,"CC1=C2CC(C(=O)C2=CC=C1)CC3=CC=CC=C3C(=O)O","WPBXLAQJVPMZAI-UHFFFAOYSA-N",385693,NA,"PDBC13207","677039","Present",NA,NA
+"13208","2-((4-Methyl-2-quinolinyl)thio)-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK973247",NA,"CC1=CC(=NC2=CC=CC=C12)SCC(=O)C3=CC=CC=C3","BAELLMKYBZSECI-UHFFFAOYSA-N",264064,NA,"PDBC13208","98892","Present",NA,NA
+"13209","2-((4-Methyl-5H-azuleno[5,6-b]indol-11-yl)oxy)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethanol",NA,"CC1=C2C=CC=C2C(=CC3=C1NC4=CC=CC=C43)OCCO","ANCSJFLCELAGIP-UHFFFAOYSA-N",393358,NA,"PDBC13209","695154","Present",NA,NA
+"13210","2-((4-Methylphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Methylphenyl)diazenyl)-1,3-diphenyl-1,3-propanedione",NA,"CC1=CC=C(C=C1)N=NC(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","GBVMRMUXLFFIFZ-UHFFFAOYSA-N",369122,NA,"PDBC13210","640670","Present",NA,NA
+"13211","2-((4-Methylphenyl)sulfinyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(p-tolylsulfinyl)thiophene",NA,"CC1=CC=C(C=C1)S(=O)C2=CC=CS2","UEYSPGXYOFYNGQ-UHFFFAOYSA-N",375378,NA,"PDBC13211","655048","Present",NA,NA
+"13212","2-((4-Methylphenyl)sulfonyl)-1-phenyl-1H-inden-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Methylphenyl)sulfonyl)-1-phenyl-1H-inden-1-ol",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=CC=CC=C3C2(C4=CC=CC=C4)O","FJUDGVXCCNQOGE-UHFFFAOYSA-N",383862,NA,"PDBC13212","672634","Present",NA,NA
+"13213","2-((4-Methylphenyl)sulfonyl)-4-oxo-1-phenyl-4-(1-pyrrolidinyl)-1-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Methylphenyl)sulfonyl)-4-oxo-1-phenyl-4-(1-pyrrolidinyl)-1-butanone",NA,"CC1=CC=C(C=C1)S(=O)(=O)C(CC(=O)N2CCCC2)C(=O)C3=CC=CC=C3","RSPMBLHHEOXXMK-UHFFFAOYSA-N",365696,NA,"PDBC13213","633550","Present",NA,NA
+"13214","2-((4-Methylphenyl)sulfonyl)-6-(trifluoromethyl)-1-(3-(trifluoromethyl)phenyl)-1H-inden-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Methylphenyl)sulfonyl)-6-(trifluoromethyl)-1-(3-(trifluoromethyl)phenyl)-1H-inden-1-ol",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C2(C4=CC(=CC=C4)C(F)(F)F)O)C=C(C=C3)C(F)(F)F","BWLJADQMOHIVTF-UHFFFAOYSA-N",383861,NA,"PDBC13214","672633","Present",NA,NA
+"13215","2-((4-Oxo-2-thioxo-1-imidazolidinyl)methylene)malonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Oxo-2-thioxo-1-imidazolidinyl)methylene)malonamide",NA,"C1C(=O)NC(=S)N1C=C(C(=O)N)C(=O)N","SEDUPIQXYIUZDT-UHFFFAOYSA-N",3004545,NA,"PDBC13215","658320","Present",NA,NA
+"13216","2-((4-Pyridinylmethylene)amino)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Pyridinylmethylene)amino)malononitrile",NA,"C1=CN=CC=C1C=NC(C#N)C#N","CTKDKZAJKOSKDN-UHFFFAOYSA-N",388315,NA,"PDBC13216","683047","Present",NA,NA
+"13217","2-((4-Tert-butyl-1-(2,4-dichlorobenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-2-((1-(2,4-dichlorophenyl-methyl)-4-tert.butylcycl...",NA,"CC(C)(C)C1CCC(CC1)(CC2=C(C=C(C=C2)Cl)Cl)OCCN(C)C.C(=CC(=O)O)C(=O)O","IGOOXIYIMTXTPM-WLHGVMLRSA-N",5468430,NA,"PDBC13217","670228","Present",NA,NA
+"13218","2-((4-Tert-butyl-1-(4-fluorobenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanamine, 2-[1-[(4-fluorophenyl)methyl]-N,N-dimethyl- ...///trans-2((1-(4-fluorphenyl-methyl)-4-tert.butylcyclohexyl...",NA,"CC(C)(C)C1CCC(CC1)(CC2=CC=C(C=C2)F)OCCN(C)C.C(=CC(=O)O)C(=O)O","VERKYIGIGBTEKR-WLHGVMLRSA-N",5351427,NA,"PDBC13218","670223///670226","Present",NA,NA
+"13219","2-((4-Tert-butyl-1-(4-methylbenzyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-2((1-(4-methyl-phenyl)methyl)-4-tert.butylcyclohexyl...///Ethanamine, N,N-dimethyl-2-[4-(1,1-dimethylethyl)- 1-[(4...",NA,"CC1=CC=C(C=C1)CC2(CCC(CC2)C(C)(C)C)OCCN(C)C.C(=CC(=O)O)C(=O)O","ZQRALAUDFDVDAR-WLHGVMLRSA-N",5351426,NA,"PDBC13219","670225///670229","Present",NA,NA
+"13220","2-((4-Tert-butyl-1-(cyclohexylmethyl)cyclohexyl)oxy)-N,N-dimethylethanamine 2-butenedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-2-((1-(cyclohexyl-methyl)-4-tert.butylcyclohexyl)o...",NA,"CC(C)(C)C1CCC(CC1)(CC2CCCCC2)OCCN(C)C.C(=CC(=O)O)C(=O)O","AARXZXDDDNNOBK-WLHGVMLRSA-N",5468429,NA,"PDBC13220","670227","Present",NA,NA
+"13221","2-((5,5-Bis(phenylthio)pentyl)oxy)tetrahydro-2H-pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5,5-Bis(phenylthio)pentyl)oxy)tetrahydro-2H-pyran",NA,"C1CCOC(C1)OCCCCC(SC2=CC=CC=C2)SC3=CC=CC=C3","KYCZWROYNPDWGW-UHFFFAOYSA-N",361790,NA,"PDBC13221","625062","Present",NA,NA
+"13222","2-((5-((4-Chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2-hydrazino-2-oxoethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[(4-Chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-hydrazinyl-2-oxoethyl)acetamide",NA,"C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NCC(=O)NN)COC3=CC=C(C=C3)Cl","BAJKFDDNEKWABF-UHFFFAOYSA-N",395266,NA,"PDBC13222","699744","Present",NA,NA
+"13223","2-((5-((5-Oxo-1-phenyl-2-thioxo-4-imidazolidinylidene)methyl)-2-thienyl)thio)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-((5-Oxo-1-phenyl-2-thioxo-4-imidazolidinylidene)methyl)-2-thienyl)thio)benzoic acid",NA,"C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)SC4=CC=CC=C4C(=O)O)NC2=S","FETMPINLOFOKOW-VBKFSLOCSA-N",5468926,NA,"PDBC13223","679239","Present",NA,NA
+"13224","2-((5-((5-Oxo-2-thioxo-4-imidazolidinylidene)methyl)-2-thienyl)thio)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-((5-Oxo-2-thioxo-4-imidazolidinylidene)methyl)-2-thienyl)thio)benzoic acid",NA,"C1=CC=C(C(=C1)C(=O)O)SC2=CC=C(S2)C=C3C(=O)NC(=S)N3","CBOZHPLUDRQNFD-YFHOEESVSA-N",5468925,NA,"PDBC13224","679238","Present",NA,NA
+"13225","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[4-[(4-Chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide",NA,"C1=CC(=CC=C1C=NC2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=C(C=C(C=C4)Cl)Cl)Cl","GLEJQBMIQGGWSL-UHFFFAOYSA-N",375304,NA,"PDBC13225","654821","Present",NA,NA
+"13226","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-(hydroxy(oxido)amino)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[4-[(4-Chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide",NA,"C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl)[N+](=O)[O-]","ZTVNQLTVZCGYCL-UHFFFAOYSA-N",375298,NA,"PDBC13226","654815","Present",NA,NA
+"13227","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-chlorophenyl)acetamide",NA,"C1=CC=C(C(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl)Cl","KYEXCNWIWSSHOM-UHFFFAOYSA-N",375305,NA,"PDBC13227","654822","Present",NA,NA
+"13228","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2-methylphenyl)acetamide",NA,"CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","UJHBITNKCOEEKS-UHFFFAOYSA-N",375299,NA,"PDBC13228","654816","Present",NA,NA
+"13229","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-(hydroxy(oxido)amino)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[4-[(4-Chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","OISXKWQJMQMZED-UHFFFAOYSA-N",375297,NA,"PDBC13229","654814","Present",NA,NA
+"13230","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamide",NA,"C1=CC(=CC(=C1)Cl)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","POBHCSOUSLJWRT-UHFFFAOYSA-N",375306,NA,"PDBC13230","654823","Present",NA,NA
+"13231","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methoxyphenyl)acetamide",NA,"COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","MCICZHKKNSEILV-UHFFFAOYSA-N",375302,NA,"PDBC13231","654819","Present",NA,NA
+"13232","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methylphenyl)acetamide",NA,"CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","XWYKTWBBCGWSHV-UHFFFAOYSA-N",375300,NA,"PDBC13232","654817","Present",NA,NA
+"13233","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-(hydroxy(oxido)amino)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[4-[(4-Chlorophenyl)methylideneamino]phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide",NA,"C1=CC(=CC=C1C=NC2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])Cl","FOPAIUJXTZLYQE-UHFFFAOYSA-N",375296,NA,"PDBC13233","654813","Present",NA,NA
+"13234","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-chlorophenyl)acetamide",NA,"C1=CC(=CC=C1C=NC2=CC=C(C=C2)C3=NN=C(O3)SCC(=O)NC4=CC=C(C=C4)Cl)Cl","HMJUUOVNRAVGON-UHFFFAOYSA-N",375307,NA,"PDBC13234","654824","Present",NA,NA
+"13235","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide",NA,"COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","NAVXKXFXBWVMPF-UHFFFAOYSA-N",375303,NA,"PDBC13235","654820","Present",NA,NA
+"13236","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methylphenyl)acetamide",NA,"CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","VTZXGNBSGLBWMT-UHFFFAOYSA-N",375301,NA,"PDBC13236","654818","Present",NA,NA
+"13237","2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-((4-Chlorobenzylidene)amino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide",NA,"C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","OTJMMQITYHDSEI-UHFFFAOYSA-N",375295,NA,"PDBC13237","654812","Present",NA,NA
+"13238","2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2,4-dichlorophenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl","KPWYJMJRAGPBMU-UHFFFAOYSA-N",375276,NA,"PDBC13238","654793","Present",NA,NA
+"13239","2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(3-methylphenyl)acetamide",NA,"CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C","OVAXVKURYLESPY-UHFFFAOYSA-N",375272,NA,"PDBC13239","654789","Present",NA,NA
+"13240","2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-(4-methylphenyl)acetamide",NA,"CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C","HNTDMEVTKVTHPE-UHFFFAOYSA-N",375273,NA,"PDBC13240","654790","Present",NA,NA
+"13241","2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-(4-(Acetylamino)phenyl)-1,3,4-oxadiazol-2-yl)thio)-N-phenylacetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3","SPYJIPRIWUJTSO-UHFFFAOYSA-N",375267,NA,"PDBC13241","654784","Present",NA,NA
+"13242","2-((5-(6-(5-((2-Hydroxyethyl)imino)-4-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl)-2-pyridinyl)-3-methyl-1,3,4-thiadiazol-2(3H)-ylidene)amino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-(5,5'-(pyridine-2,6-diyl)bis(3-methyl-1,3,4-thiadia...",NA,"CN1C(=NCCO)SC(=N1)C2=NC(=CC=C2)C3=NN(C(=NCCO)S3)C","OWHWSPWYIUXPFK-UHFFFAOYSA-N",375402,NA,"PDBC13242","655073","Present",NA,NA
+"13243","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dimethylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2,4-dimethylphenyl)acetamide",NA,"CC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3)C","NAUARTPFUAAXPV-UHFFFAOYSA-N",375293,NA,"PDBC13243","654810","Present",NA,NA
+"13244","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2-ethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(2-ethoxyphenyl)acetamide",NA,"CCOC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","GMJYUFGUSOAYCH-UHFFFAOYSA-N",375292,NA,"PDBC13244","654809","Present",NA,NA
+"13245","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(3-chlorophenyl)acetamide",NA,"C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)Cl","HRJPMEAENISKTQ-UHFFFAOYSA-N",375290,NA,"PDBC13245","654807","Present",NA,NA
+"13246","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-chloro-2-(hydroxy(oxido)amino)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-chloro-2-(hydroxy(oxido)amino)phenyl)acetamide",NA,"C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-]","PCKUNCAWWBINPM-UHFFFAOYSA-N",375294,NA,"PDBC13246","654811","Present",NA,NA
+"13247","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-chlorophenyl)acetamide",NA,"C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Cl","PRWQHVQGILQSEP-UHFFFAOYSA-N",375291,NA,"PDBC13247","654808","Present",NA,NA
+"13248","2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-Benzyl-1,3,4-oxadiazol-2-yl)thio)-N-(4-methoxyphenyl)acetamide",NA,"COC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","AGWZJFKRLCZWNA-UHFFFAOYSA-N",375287,NA,"PDBC13248","654804","Present",NA,NA
+"13249","2-((5-Hydroxypentyl)amino)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2LN1F3Z653",NA,"C1=NC2=C(N1)C(=O)NC(=N2)NCCCCCO","BAOIEYLBLQZUQM-UHFFFAOYSA-N",135440020,NA,"PDBC13249","681689","Present",NA,NA
+"13250","2-((5-Methyl-3-isoxazolyl)amino)-4-((5-methyl-3-isoxazolyl)imino)-1(4H)-naphthalenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-Methyl-3-isoxazolyl)amino)-4-((5-methyl-3-isoxazolyl)imino)-1(4H)-naphthalenone",NA,"CC1=CC(=NO1)NC2=CC(=NC3=NOC(=C3)C)C4=CC=CC=C4C2=O","FNXSJJOERAANTF-UHFFFAOYSA-N",373420,NA,"PDBC13250","649750","Present",NA,NA
+"13251","2-((5-Methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-Methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide",NA,"CC1=NC2=C(C(=N1)SCC(=O)N)SC(=S)N2C3=CC=CC=C3","WWEOLCGXFUSJHZ-UHFFFAOYSA-N",378704,NA,"PDBC13251","661809","Present",NA,NA
+"13252","2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-4,5-dimethoxybenzoic acid",NA,"CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3C(=O)O)OC)OC)OC)OC","HHJDPQAEMMYUCU-UHFFFAOYSA-N",363412,NA,"PDBC13252","628316","Present",NA,NA
+"13253","2-((6,8-Dichloro-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((6,8-Dichloro-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol",NA,"CC1=C2C(=C3C(=CC(=CC3=NC2=NC(=O)N1)Cl)Cl)NC(C)(CO)CO","CEROURMTWFNICX-UHFFFAOYSA-N",386385,NA,"PDBC13253","678356","Present",NA,NA
+"13254","2-((6-(2-(6-(Tetrahydro-2H-pyran-2-yloxy)hexyl)ditellanyl)hexyl)oxy)tetrahydro-2H-pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((6-(2-(6-(Tetrahydro-2H-pyran-2-yloxy)hexyl)ditellanyl)hexyl)oxy)tetrahydro-2H-pyran",NA,"C1CCOC(C1)OCCCCCC[Te][Te]CCCCCCOC2CCCCO2","UFZDRSMNQUJOFQ-UHFFFAOYSA-N",363966,NA,"PDBC13254","629503","Present",NA,NA
+"13255","2-((6-Chloro-2-methoxy-9-acridinyl)thio)-N-(2'-((((6-chloro-2-methoxy-9-acridinyl)thio)acetyl)amino)[1,1'-biphenyl]-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Chloro-2-methoxyacridin-9-yl)sulfanyl-N-[2-[2-[[2-(6-chloro-2-methoxyacridin-9-yl)sulfanylacetyl]amino]phenyl]phenyl]acetamide",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CSC6=C7C=C(C=CC7=NC8=C6C=CC(=C8)Cl)OC","PYKZBIUZNLXPPS-UHFFFAOYSA-N",371148,NA,"PDBC13255","645152","Present",NA,NA
+"13256","2-((6-Imino-4-(3-methoxyphenyl)-3-methyl-6,7-dihydropyrazolo[3,4-d][1,3]thiazin-1(4H)-yl)carbonyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-H-Pyrazolo[3,4][1,3]thiazin-6-amine, 1-(2-hydroxybenzo...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)OC)C(=O)C4=CC=CC=C4O","BDYGXBHZVFIJOH-UHFFFAOYSA-N",376874,NA,"PDBC13256","657994","Present",NA,NA
+"13257","2-((6-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((6-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid",NA,"CC1=CC2=C(CC(C2=O)CC3=CC=CC=C3C(=O)O)C=C1","KSJSXTLVZZPHDI-UHFFFAOYSA-N",385694,NA,"PDBC13257","677040","Present",NA,NA
+"13258","2-((7-Acetyl-2,3-dihydro-1H-inden-5-yl)methyl)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((7-Acetyl-2,3-dihydro-1H-inden-5-yl)methyl)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one",NA,"CC(=O)C1=CC(=CC2=C1CCC2)CC3CC4=C(C3=O)C=C5CCCC5=C4","XWTNIBVQFQJNHH-UHFFFAOYSA-N",382687,NA,"PDBC13258","670335","Present",NA,NA
+"13259","2-((7-Ethoxy-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((7-Ethoxy-2-hydroxy-4-methylpyrimido[4,5-b]quinolin-5-yl)amino)-2-methyl-1,3-propanediol",NA,"CCOC1=CC2=C(C3=C(NC(=O)N=C3N=C2C=C1)C)NC(C)(CO)CO","KGOJPEJFYLHNCM-UHFFFAOYSA-N",386386,NA,"PDBC13259","678357","Present",NA,NA
+"13260","2-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methylamino)-3-phenylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methylamino...",NA,"C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C=CC3=C2OC(=O)C=C3C4=CC=CC=C4)O","LBUXRSIZBJQCAB-UHFFFAOYSA-N",5466062,NA,"PDBC13260","673340","Present",NA,NA
+"13261","2-((7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol",NA,"CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","CHLPTPUGQIRMDQ-UHFFFAOYSA-N",381390,NA,"PDBC13261","667930","Present",NA,NA
+"13262","2-((8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol",NA,"CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=C(C(=CC=C4)OC)OC","CKUCWPTUZQKDGP-UHFFFAOYSA-N",381376,NA,"PDBC13262","667916","Present",NA,NA
+"13263","2-((8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)amino)ethanol",NA,"CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=CC=C(C=C4)OC","MFAQRALUOKQDAT-UHFFFAOYSA-N",381366,NA,"PDBC13263","667906","Present",NA,NA
+"13264","2-((9-Thioxo-9,10-dihydro-3-acridinyl)amino)-N-(2'-((((9-thioxo-9,10-dihydro-3-acridinyl)amino)acetyl)amino)[1,1'-biphenyl]-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-Biphenyl-2,2'-diamine, N,N'-bis[2-[9(10H)thioxo-3-a...",NA,"C1=CC=C2C(=C1)C(=S)C3=C(N2)C=C(C=C3)NCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CNC6=CC7=C(C=C6)C(=S)C8=CC=CC=C8N7","DXDDVYZEVDLWNO-UHFFFAOYSA-N",3004325,NA,"PDBC13264","645153","Present",NA,NA
+"13265","2-((9H-Purin-6-ylthio)methyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((9H-Purin-6-ylthio)methyl)benzonitrile",NA,"C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)C#N","BQDAOERSVJMNCY-UHFFFAOYSA-N",386901,NA,"PDBC13265","679801","Present",NA,NA
+"13266","2-((Amino(imino)methyl)hydrazono)-3-cyano-N-(2-(hydroxy(oxido)amino)phenyl)-3-(4-(4-(hydroxy(oxido)amino)phenyl)-1,3-thiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-3-Cyano-2-(diaminomethylidenehydrazinylidene)-N-(2-nitrophenyl)-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide",NA,"C1=CC=C(C(=C1)NC(=O)C(=NN=C(N)N)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","GKOLUDYOAONKID-ONUIUJJFSA-N",6077254,NA,"PDBC13266","642063","Present",NA,NA
+"13267","2-((Aminocarbonyl)hydrazono)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-(carbamoylhydrazinylidene)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=NNC(=O)N)C(=O)NC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]","ODQSSSYQAXSLIF-GXBUFBABSA-N",5935649,NA,"PDBC13267","646812","Present",NA,NA
+"13268","2-((Aminocarbonyl)hydrazono)-N-(2,6-dimethylphenyl)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(Carbamoylhydrazinylidene)-N-(2,6-dimethylphenyl)-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)propanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=NNC(=O)N)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O","SJFCPSVOSGTHBQ-XYGWBWBKSA-N",9571375,NA,"PDBC13268","649800","Present",NA,NA
+"13269","2-((Aminocarbonyl)oxy)-1-((4-chlorophenoxy)methyl)ethyl 2-chlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Aminocarbonyl)oxy)-1-((4-chlorophenoxy)methyl)ethyl 2-chlorobenzoate",NA,"C1=CC=C(C(=C1)C(=O)OC(COC2=CC=C(C=C2)Cl)COC(=O)N)Cl","DXOATRNSTMLOJU-UHFFFAOYSA-N",367010,NA,"PDBC13269","636337","Present",NA,NA
+"13270","2-((Aminocarbonyl)oxy)-1-((4-chlorophenoxy)methyl)ethyl laurate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Aminocarbonyl)oxy)-1-((4-chlorophenoxy)methyl)ethyl laurate",NA,"CCCCCCCCCCCC(=O)OC(COC1=CC=C(C=C1)Cl)COC(=O)N","BVVYHAXRDCAAOB-UHFFFAOYSA-N",367254,NA,"PDBC13270","636802","Present",NA,NA
+"13271","2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2,5-dimethylphenyl)-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2,5-dimethylphenyl)-3-phenylpropanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=NNC(=S)N)C(C#N)C2=CC=CC=C2","TWLKLEPGFUUZIZ-QJOMJCCJSA-N",6148390,NA,"PDBC13271","625900","Present",NA,NA
+"13272","2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2,6-dimethylphenyl)-3-(2-methylphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2,6-dimethylphenyl)-3-(2-methylphenyl)propanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=NNC(=S)N)C(C#N)C2=CC=CC=C2C","GQZNNBHFTBPONK-MOHJPFBDSA-N",9570016,NA,"PDBC13272","632014","Present",NA,NA
+"13273","2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2-methylphenyl)-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(2-methylphenyl)-3-phenylpropanamide",NA,"CC1=CC=CC=C1NC(=O)C(=NNC(=S)N)C(C#N)C2=CC=CC=C2","MXYRZUFEJRHOSX-JWGURIENSA-N",5906270,NA,"PDBC13273","632006","Present",NA,NA
+"13274","2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Aminocarbothioyl)hydrazono)-3-cyano-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)propanamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=NNC(=S)N)C(C#N)C2=CC=CC=C2C)C","HUKGSFITHFXNIA-MOHJPFBDSA-N",9554717,NA,"PDBC13274","625897","Present",NA,NA
+"13275","2-((Aminocarbothioyl)hydrazono)-4-(4-methoxyphenyl)-4-oxo-N-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Aminocarbothioyl)hydrazono)-4-(4-methoxyphenyl)-4-oxo-N-phenylbutanamide",NA,"COC1=CC=C(C=C1)C(=O)CC(=NNC(=S)N)C(=O)NC2=CC=CC=C2","HIPLHCBZZSISRU-QNGOZBTKSA-N",6186080,NA,"PDBC13275","632025","Present",NA,NA
+"13276","2-((Aminocarbothioyl)hydrazono)-N-(3,4-dichlorophenyl)-4-oxo-4-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Aminocarbothioyl)hydrazono)-N-(3,4-dichlorophenyl)-4-oxo-4-phenylbutanamide",NA,"C1=CC=C(C=C1)C(=O)CC(=NNC(=S)N)C(=O)NC2=CC(=C(C=C2)Cl)Cl","CWZXQDDEWFYGIO-HMAPJEAMSA-N",5819775,NA,"PDBC13276","625893","Present",NA,NA
+"13277","2-((Aminocarbothioyl)hydrazono)-N-(3-chlorophenyl)-3-cyano-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Aminocarbothioyl)hydrazono)-N-(3-chlorophenyl)-3-cyano-3-phenylpropanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=NNC(=S)N)C(=O)NC2=CC(=CC=C2)Cl","KSMVUWUHXZQXOA-JCMHNJIXSA-N",9554718,NA,"PDBC13277","625908","Present",NA,NA
+"13278","2-((Butylthio)methyl)-5,6-dichloro-1H-imidazo[4,5-b]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Butylthio)methyl)-5,6-dichloro-1H-imidazo[4,5-b]pyrazine",NA,"CCCCSCC1=NC2=C(N1)N=C(C(=N2)Cl)Cl","BYEDVHQRAJNRIW-UHFFFAOYSA-N",5383457,NA,"PDBC13278","169804","Present",NA,NA
+"13279","2-((Cyano(imino)methyl)amino)-1,3-diisopropylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-cyano-N-(2,6-diisopropylphenyl)formamidine",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)N=C(C#N)N","MLYWMQGNWPKICW-UHFFFAOYSA-N",369712,NA,"PDBC13279","641765","Present",NA,NA
+"13280","2-((Cyanoacetyl)hydrazono)-N-(3,4-dichlorophenyl)-2-(3-imino-1-phenyl-4-pyrazolidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Cyanoacetyl)hydrazono)-N-(3,4-dichlorophenyl)-2-(3-imino-1-phenyl-4-pyrazolidinyl)acetamide",NA,"C1C(C(=NN1C2=CC=CC=C2)N)C(=NNC(=O)CC#N)C(=O)NC3=CC(=C(C=C3)Cl)Cl","ODAKOHDSCHJOCV-IMRQLAEWSA-N",6280138,NA,"PDBC13280","632007","Present",NA,NA
+"13281","2-((Decahydro-1-naphthalenylmethyl)(ethyl)amino)ethanol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[[(decahydro-1-naphthalenyl)methyl]ethylamino...",NA,"CCN(CCO)CC1CCCC2C1CCCC2.Cl","RLFFZCXUCYAINC-UHFFFAOYSA-N",356823,NA,"PDBC13281","614313","Present",NA,NA
+"13282","2-((Diethylamino)methyl)-N-(2,6-dimethylphenyl)-3-(isonicotinoylhydrazono)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Diethylamino)methyl)-N-(2,6-dimethylphenyl)-3-(isonicotinoylhydrazono)butanamide",NA,"CCN(CC)CC(C(=NNC(=O)C1=CC=NC=C1)C)C(=O)NC2=C(C=CC=C2C)C","BSZZXVQQFQKMQO-ITYLOYPMSA-N",5934933,NA,"PDBC13282","641838","Present",NA,NA
+"13283","2-((Diisopropylamino)carbonyl)-1-cubanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Diisopropylamino)carbonyl)-1-cubanecarboxylic acid",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4C3C25C(=O)O","IZYLCCJAKUIZDA-UHFFFAOYSA-N",369185,NA,"PDBC13283","640891","Present",NA,NA
+"13284","2-((E)-(2,4-Dihydroxyquinolin-3-yl)diazenyl)-N,N,5-trimethylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((E)-(2,4-Dihydroxyquinolin-3-yl)diazenyl)-N,N,5-trimethylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1)N=NC2=C(C3=CC=CC=C3NC2=O)O)S(=O)(=O)N(C)C","OUECECSFOVBXOS-UHFFFAOYSA-N",135403626,NA,"PDBC13284","45572","Present",NA,NA
+"13285","2-((E)-2-(5-Morpholinothiophen-2-yl)vinyl)benzo[d]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((E)-2-(5-morpholinothiophen-2-yl)vinyl)benzo[d]thiazole",NA,"C1COCCN1C2=CC=C(S2)C=CC3=NC4=CC=CC=C4S3","HMQBQCDPRZOWNE-FNORWQNLSA-N",45028486,NA,"PDBC13285","742932","Present",NA,NA
+"13286","2-((Ethanethioylamino)methylene)malonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Ethanethioylamino)methylene)malonamide",NA,"CC(=S)NC=C(C(=O)N)C(=O)N","OYHKSQZDWFEDPX-UHFFFAOYSA-N",3004576,NA,"PDBC13286","658487","Present",NA,NA
+"13287","2-((Hydroxyamino)(phenyl)methyl)cyclohexanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Hydroxyamino)(phenyl)methyl)cyclohexanone oxime",NA,"C1CCC(=NO)C(C1)C(C2=CC=CC=C2)NO","RJSSJDYQRKHLLZ-WYMLVPIESA-N",9555822,NA,"PDBC13287","634789","Present",NA,NA
+"13288","2-((Hydroxyimino)methyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-62728",NA,"C1=CC=C(C(=C1)C=NO)C#N","PBMACDJMJFWTQR-UXBLZVDNSA-N",9570050,NA,"PDBC13288","635960","Present",NA,NA
+"13289","2-((Phenylthio)methylene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Phenylthio)methylene)malononitrile",NA,"C1=CC=C(C=C1)SC=C(C#N)C#N","PXGKLGPQMNOUFU-UHFFFAOYSA-N",357940,NA,"PDBC13289","617609","Present",NA,NA
+"13290","2-((bis(pyridin-2-ylmethyl)amino)methyl)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((bis(pyridin-2-ylmethyl)amino)methyl)",NA,"C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CC3=C(C(=CC(=C3)I)I)O","FATDIFUUTNCRIU-UHFFFAOYSA-N",155809231,NA,"PDBC13290","788646","Present",NA,NA
+"13291","2-(-Methoxy)phenyl-3-((4-methanesulfinyl)phenyl)imidazo[1.2a] pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(-methoxy)phenyl-3-((4-methanesulfinyl)phenyl)imidazo[...",NA,"COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C4=CC=C(C=C4)S(=O)C","QNROICIQMVMZAH-UHFFFAOYSA-N",405132,NA,"PDBC13291","722169","Present",NA,NA
+"13292","2-(1,1-Dioxido-2,5-dihydro-2-thienyl)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,1-Dioxido-2,5-dihydro-2-thienyl)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide",NA,"C1C=CC(S1(=O)=O)C(=O)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl","WNVOLCQAVWJBMI-UHFFFAOYSA-N",371839,NA,"PDBC13292","646357","Present",NA,NA
+"13293","2-(1,1-Dioxido-2,5-dihydro-2-thienyl)-N-(3-methoxyphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,1-Dioxido-2,5-dihydro-2-thienyl)-N-(3-methoxyphenyl)-2-oxoacetamide",NA,"COC1=CC=CC(=C1)NC(=O)C(=O)C2C=CCS2(=O)=O","MESIDFREBTYVKL-UHFFFAOYSA-N",371837,NA,"PDBC13293","646353","Present",NA,NA
+"13294","2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-ethyl-6-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-ethyl-6-methylphenyl)acetamide",NA,"CCC1=CC=CC(=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C","WBXORJWVWHXNKO-UHFFFAOYSA-N",366123,NA,"PDBC13294","634410","Present",NA,NA
+"13295","2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-isopropyl-6-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(2-isopropyl-6-methylphenyl)acetamide",NA,"CC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","WSAOLIOILJZLJC-UHFFFAOYSA-N",366128,NA,"PDBC13295","634415","Present",NA,NA
+"13296","2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(4-ethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,1-Dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(4-ethoxyphenyl)acetamide",NA,"CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","FMLACWODVBIRRF-UHFFFAOYSA-N",365856,NA,"PDBC13296","633930","Present",NA,NA
+"13297","2-(1,2,3,5,6,7-Hexahydro-s-indacen-2-ylmethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,2,3,5,6,7-Hexahydro-s-indacen-2-ylmethyl)benzoic acid",NA,"C1CC2=CC3=C(CC(C3)CC4=CC=CC=C4C(=O)O)C=C2C1","OEYOMJBEZBBMOK-UHFFFAOYSA-N",384712,NA,"PDBC13297","674948","Present",NA,NA
+"13298","2-(1,2,3,5,6,7-Hexahydropyrazolo[1,2-a]pyrazol-4-ium-4-yl)ethanol;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxyethyl)tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazol-4-ium bromide",NA,"C1CN2CCC[N+]2(C1)CCO.[Br-]","AHFKIYSRPRZVRM-UHFFFAOYSA-M",366002,NA,"PDBC13298","634175","Present",NA,NA
+"13299","2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,2,4-Triazatriphenylen-3-ylsulfanyl)acetic acid",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SCC(=O)O","XZGDBVGWDJBZRI-UHFFFAOYSA-N",332060,NA,"PDBC13299","327704","Present",NA,NA
+"13300","2-(1,2,4-Triazol-4-ylcarbamoyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4R-0046",NA,"C1=CC=C(C(=C1)C(=O)NN2C=NN=C2)C(=O)O","JXXNYVAHSXIBNI-UHFFFAOYSA-N",390154,NA,"PDBC13300","687222","Present",NA,NA
+"13301","2-(1,2,4-Triazol-4-ylcarbamoyl)cyclohexanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,2,4-Triazol-4-ylcarbamoyl)cyclohexanecarboxylic acid",NA,"C1CCC(C(C1)C(=O)NN2C=NN=C2)C(=O)O","OGWHNTMNJNMHIL-UHFFFAOYSA-N",390153,NA,"PDBC13301","687221","Present",NA,NA
+"13302","2-(1,2-Benzisothiazol-3-yl)-6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,2-Benzisothiazol-3-yl)-6-(4-chlorophenyl)-4,5-dihydro-3(2H)-pyridazinone",NA,"C1CC(=O)N(N=C1C2=CC=C(C=C2)Cl)C3=NSC4=CC=CC=C43","DWFPROYEIKXIBY-UHFFFAOYSA-N",374741,NA,"PDBC13302","652933","Present",NA,NA
+"13303","2-(1,2-Benzisothiazol-3-yl)-6-(4-methoxyphenyl)-4,5-dihydro-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,2-Benzisothiazol-3-yl)-6-(4-methoxyphenyl)-4,5-dihydro-3(2H)-pyridazinone",NA,"COC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=NSC4=CC=CC=C43","UBLFVASNCCFPTJ-UHFFFAOYSA-N",374742,NA,"PDBC13303","652934","Present",NA,NA
+"13304","2-(1,2-Benzisothiazol-3-yl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,2-Benzisothiazol-3-yl)-6-phenyl-4,5-dihydro-3(2H)-pyridazinone",NA,"C1CC(=O)N(N=C1C2=CC=CC=C2)C3=NSC4=CC=CC=C43","LJWKIFNQFUEEQL-UHFFFAOYSA-N",374740,NA,"PDBC13304","652932","Present",NA,NA
+"13305","2-(1,2-Benzothiazol-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,2-Benzothiazol-3-yl)-5-(4-chlorophenyl)-1,3,4-oxadiazole",NA,"C1=CC=C2C(=C1)C(=NS2)C3=NN=C(O3)C4=CC=C(C=C4)Cl","VYERSUGCIQQFTN-UHFFFAOYSA-N",374724,NA,"PDBC13305","652916","Present",NA,NA
+"13306","2-(1,2-Benzothiazol-3-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,2-Benzothiazol-3-yl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole",NA,"COC1=CC=C(C=C1)C2=NN=C(O2)C3=NSC4=CC=CC=C43","UJUUFEWZUGLNMD-UHFFFAOYSA-N",374725,NA,"PDBC13306","652917","Present",NA,NA
+"13307","2-(1,2-Benzothiazol-3-yl)-5-phenyl-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,2-Benzothiazol-3-yl)-5-phenyl-1,3,4-oxadiazole",NA,"C1=CC=C(C=C1)C2=NN=C(O2)C3=NSC4=CC=CC=C43","LQCNYQSVWRBJNB-UHFFFAOYSA-N",374723,NA,"PDBC13307","652915","Present",NA,NA
+"13308","2-(1,2-Dibromoethyl)-2-(3,4-dibromo-4-methylpentyl)oxirane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,2-Dibromoethyl)-2-(3,4-dibromo-4-methylpentyl)oxirane",NA,"CC(C)(C(CCC1(CO1)C(CBr)Br)Br)Br","GGAPYRSAAHUZID-UHFFFAOYSA-N",379562,NA,"PDBC13308","664244","Present",NA,NA
+"13309","2-(1,2-Dimethylindole-3-carbonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL349635",NA,"CC1=C(C2=CC=CC=C2N1C)C(=O)C3=CC=CC=C3C(=O)O","BFRLZKOUBZTJSY-UHFFFAOYSA-N",362924,NA,"PDBC13309","627400","Present",NA,NA
+"13310","2-(1,3-Benzodioxol-4-yl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-4-yl)-4-(4-methylphenyl)-2,3-dihydro-1,5-benzothiazepine",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=C5C(=CC=C4)OCO5","CUKKDPARJGAVIG-UHFFFAOYSA-N",364787,NA,"PDBC13310","631546","Present",NA,NA
+"13311","2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone",NA,"C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=NC4=C(C=C(C=C4)Cl)NC3=O)O","PTWWYQBPMSDVLV-UHFFFAOYSA-N",370089,NA,"PDBC13311","642649","Present",NA,NA
+"13312","2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-5-yl)-1-(6-chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxyethanone phenylhydrazone",NA,"C1OC2=C(O1)C=C(C=C2)C(C(=NNC3=CC=CC=C3)C4=NC5=C(C=C(C=C5)Cl)NC4=O)O","AMOFYCBJKJUYIT-VFCFBJKWSA-N",135499269,NA,"PDBC13312","647591","Present",NA,NA
+"13313","2-(1,3-Benzodioxol-5-yl)-2-hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(benzo[d][1,3]dioxol-5-yl)-2-hydroxy-1-(3-hydroxy-6-ni...",NA,"C1OC2=C(O1)C=C(C=C2)C(C(=O)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)O","YKWZVHIDWRCNJZ-UHFFFAOYSA-N",372008,NA,"PDBC13313","646824","Present",NA,NA
+"13314","2-(1,3-Benzodioxol-5-yl)-2-hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethanone phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-N-Anilino-C-[1,3-benzodioxol-5-yl(hydroxy)methyl]carbonimidoyl]-7-nitro-1H-quinoxalin-2-one",NA,"C1OC2=C(O1)C=C(C=C2)C(C(=NNC3=CC=CC=C3)C4=NC5=C(C=C(C=C5)[N+](=O)[O-])NC4=O)O","CZLSLCSHFUTIIE-NHFJDJAPSA-N",135499265,NA,"PDBC13314","647583","Present",NA,NA
+"13315","2-(1,3-Benzodioxol-5-yl)-3-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-5-yl)-3-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one",NA,"CC1(CCC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C4=CC5=C(C=C4)OCO5)O)C","CFRTUWHTAHESBJ-UHFFFAOYSA-N",360766,NA,"PDBC13315","623106","Present",NA,NA
+"13316","2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one",NA,"COC1=C(C=C(C=C1)C2C=C(OC3=C2C(=O)OC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6)OC","AXGMPAAIRJSHFS-UHFFFAOYSA-N",309280,NA,"PDBC13316","211489","Present",NA,NA
+"13317","2-(1,3-Benzodioxol-5-yl)-4-(4-bromophenyl)-1-(2-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-5-yl)-4-(4-bromophenyl)-1-(2-thienyl)-1,4-butanedione",NA,"C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=C(C=C3)Br)C(=O)C4=CC=CS4","OHXMFITZQYJQPG-UHFFFAOYSA-N",376695,NA,"PDBC13317","657738","Present",NA,NA
+"13318","2-(1,3-Benzodioxol-5-yl)-4-(4-methylphenyl)-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-5-yl)-4-(4-methylphenyl)-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S(=O)C(C2)C4=CC5=C(C=C4)OCO5","GMYJBOFZFKZBKH-UHFFFAOYSA-N",359785,NA,"PDBC13318","621349","Present",NA,NA
+"13319","2-(1,3-Benzodioxol-5-yl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-5-yl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC6=C(C=C5)OCO6","JTOZVFYVXSCPIW-UHFFFAOYSA-N",359797,NA,"PDBC13319","621358","Present",NA,NA
+"13320","2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-(2-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-thiophen-2-ylbutane-1,4-dione",NA,"C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=CC=C3)C(=O)C4=CC=CS4","YEYXIEALHBBHLC-UHFFFAOYSA-N",395488,NA,"PDBC13320","700130","Present",NA,NA
+"13321","2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-5-yl)-4-phenyl-1-thiophen-3-ylbutane-1,4-dione",NA,"C1OC2=C(O1)C=C(C=C2)C(CC(=O)C3=CC=CC=C3)C(=O)C4=CSC=C4","VSCXIPVGAHJNJA-UHFFFAOYSA-N",395524,NA,"PDBC13321","700214","Present",NA,NA
+"13322","2-(1,3-Benzodioxol-5-yl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzodioxol-5-yl)-5,6-dihydro-7H-[1,2,4]triazolo[5,1-b][1,3]thiazin-7-one",NA,"C1CSC2=NC(=NN2C1=O)C3=CC4=C(C=C3)OCO4","ZSBTZQYVEKVPCJ-UHFFFAOYSA-N",378737,NA,"PDBC13322","661837","Present",NA,NA
+"13323","2-(1,3-Benzodioxol-5-yl)-5-tert-butyl-9-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(1,...",NA,"CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC7=C(C=C6)OCO7)C(C)(C)C","XLOWVLGBDIHZSC-UHFFFAOYSA-N",397884,NA,"PDBC13323","706740","Present",NA,NA
+"13324","2-(1,3-Benzodioxol-5-ylmethyl)butanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(benzo[d][1,3]dioxol-5-ylmethyl)succinic acid",NA,"C1OC2=C(O1)C=C(C=C2)CC(CC(=O)O)C(=O)O","VXIGMHUBZXMCIU-UHFFFAOYSA-N",284727,NA,"PDBC13324","140905","Present",NA,NA
+"13325","2-(1,3-Benzodioxol-5-ylmethyl)guanidine;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664536",NA,"C1OC2=C(O1)C=C(C=C2)CN=C(N)N.I","WXEHPOOEVMDNAD-UHFFFAOYSA-N",379658,NA,"PDBC13325","664536","Present",NA,NA
+"13326","2-(1,3-Benzothiazol-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzothiazol-2-yl)-1,1,1,3,3,3-hexafluoro-2-propanol",NA,"C1=CC=C2C(=C1)N=C(S2)C(C(F)(F)F)(C(F)(F)F)O","XYYXVJZPTZAGFE-UHFFFAOYSA-N",379601,NA,"PDBC13326","664302","Present",NA,NA
+"13327","2-(1,3-Benzothiazol-2-yl)-2-(2-chloro-5-methylpyrimidin-4-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzothiazol-2-yl)-2-(2-chloro-5-methyl-pyrimidin-4-yl)acetonitrile",NA,"CC1=CN=C(N=C1C(C#N)C2=NC3=CC=CC=C3S2)Cl","GTZSORQNNUISHZ-UHFFFAOYSA-N",395220,NA,"PDBC13327","699695","Present",NA,NA
+"13328","2-(1,3-Benzothiazol-2-yl)-2-(5-bromo-2-chloropyrimidin-4-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzothiazol-2-yl(5-bromo-2-chloropyrimidin-4-yl)acetonitrile",NA,"C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3Br)Cl","IGQADIBKPMFHOW-UHFFFAOYSA-N",395221,NA,"PDBC13328","699696","Present",NA,NA
+"13329","2-(1,3-Benzothiazol-2-yl)-2-(6-chloro-5-nitropyrimidin-4-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzothiazol-2-yl(6-chloro-5-nitropyrimidin-4-yl)acetonitrile",NA,"C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=C(C(=NC=N3)Cl)[N+](=O)[O-]","XGRXYXAJEJDAKE-UHFFFAOYSA-N",395228,NA,"PDBC13329","699703","Present",NA,NA
+"13330","2-(1,3-Benzothiazol-2-yl)-2-(6-chloropyrimidin-4-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzothiazol-2-yl)-2-(6-chloropyrimidin-4-yl)acetonitrile",NA,"C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=CC(=NC=N3)Cl","UJUCUFQXQWOTOY-UHFFFAOYSA-N",395224,NA,"PDBC13330","699699","Present",NA,NA
+"13331","2-(1,3-Benzothiazol-2-yl)-6-chloro-2-hexanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzothiazol-2-yl)-6-chloro-2-hexanol",NA,"CC(CCCCCl)(C1=NC2=CC=CC=C2S1)O","ZQVRDOKJDVPZML-UHFFFAOYSA-N",354682,NA,"PDBC13331","606989","Present",NA,NA
+"13332","2-(1,3-Benzothiazol-2-yl)-N-(2,3-dimethylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzothiazol-2-yl)-N-(2,3-dimethylphenyl)acetamide",NA,"CC1=C(C(=CC=C1)NC(=O)CC2=NC3=CC=CC=C3S2)C","ULYUOYZCKYRSSQ-UHFFFAOYSA-N",364781,NA,"PDBC13332","631540","Present",NA,NA
+"13333","2-(1,3-Benzothiazol-2-yl)-N-(2-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzothiazol-2-yl)-N-(2-methylphenyl)acetamide",NA,"CC1=CC=CC=C1NC(=O)CC2=NC3=CC=CC=C3S2","DIPSEAZKLSDWEM-UHFFFAOYSA-N",359782,NA,"PDBC13333","621347","Present",NA,NA
+"13334","2-(1,3-Benzothiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzothiazol-2-yl)-N-(3-(trifluoromethyl)phenyl)acetamide",NA,"C1=CC=C2C(=C1)N=C(S2)CC(=O)NC3=CC=CC(=C3)C(F)(F)F","LCLFTUZRQKZADK-UHFFFAOYSA-N",364782,NA,"PDBC13334","631541","Present",NA,NA
+"13335","2-(1,3-Benzothiazol-2-yl)-N-(4-sulfamoylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzothiazol-2-yl)-N-(4-sulfamoylphenyl)acetamide",NA,"C1=CC=C2C(=C1)N=C(S2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N","ORXWNCCBUMNYFE-UHFFFAOYSA-N",365126,NA,"PDBC13335","632226","Present",NA,NA
+"13336","2-(1,3-Benzothiazol-2-ylsulfonylmethyl)-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzothiazol-2-ylsulfonylmethyl)-1,3-benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)CS(=O)(=O)C3=NC4=CC=CC=C4S3","IEDDNQACSVMKHL-UHFFFAOYSA-N",384660,NA,"PDBC13336","674705","Present",NA,NA
+"13337","2-(1,3-Benzothiazol-2-yltrisulfanyl)-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzothiazol-2-yltrisulfanyl)-1,3-benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)SSSC3=NC4=CC=CC=C4S3","NNXFFSJFGWVCOK-UHFFFAOYSA-N",394289,NA,"PDBC13337","697656","Present",NA,NA
+"13338","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(2-furyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(2-furyl)ethanol",NA,"C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=CO3)O)(F)F","POTNIXVIYAKWHM-UHFFFAOYSA-N",393816,NA,"PDBC13338","696595","Present",NA,NA
+"13339","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-fluorophenyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-fluorophenyl)ethanol",NA,"C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=C(C=C3)F)O)(F)F","NIGPZORFTBMLFX-UHFFFAOYSA-N",393815,NA,"PDBC13339","696594","Present",NA,NA
+"13340","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-(4-phenylphenyl)ethanol",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(C3=NC4=CC=CC=C4O3)(F)F)O","LGWTVZUAPGUCEF-UHFFFAOYSA-N",393813,NA,"PDBC13340","696592","Present",NA,NA
+"13341","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-[4-(trifluoromethyl)phenyl]ethanol",NA,"C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=C(C=C3)C(F)(F)F)O)(F)F","MIWUMKSCGWRGMS-UHFFFAOYSA-N",393817,NA,"PDBC13341","696596","Present",NA,NA
+"13342","2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-phenyl-ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-phenylethanol",NA,"C1=CC=C(C=C1)C(C(C2=NC3=CC=CC=C3O2)(F)F)O","CWKPDVXSCKWZGL-UHFFFAOYSA-N",393812,NA,"PDBC13342","696591","Present",NA,NA
+"13343","2-(1,3-Benzoxazol-2-yl)-2-[(4-chlorophenyl)diazenyl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzoxazol-2-yl[(e)-(4-chlorophenyl)diazenyl]acetonitrile",NA,"C1=CC=C2C(=C1)N=C(O2)C(C#N)N=NC3=CC=C(C=C3)Cl","USTWTAVJIXUQCL-UHFFFAOYSA-N",404460,NA,"PDBC13343","720666","Present",NA,NA
+"13344","2-(1,3-Benzoxazol-2-yl)-2-cyclohexylideneacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzoxazol-2-yl(cyclohexylidene)acetonitrile",NA,"C1CCC(=C(C#N)C2=NC3=CC=CC=C3O2)CC1","UQLOWACSYNSYSO-UHFFFAOYSA-N",404458,NA,"PDBC13344","720664","Present",NA,NA
+"13345","2-(1,3-Benzoxazol-2-yl)-2-phenyldiazenylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzoxazol-2-yl[(e)-phenyldiazenyl]acetonitrile",NA,"C1=CC=C(C=C1)N=NC(C#N)C2=NC3=CC=CC=C3O2","OVYAMTZJDXWTJI-UHFFFAOYSA-N",404459,NA,"PDBC13345","720665","Present",NA,NA
+"13346","2-(1,3-Cyclohexadien-1-yl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Cyclohexadien-1-yl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,"C1CC(=CC=C1)C2CC(=NC3=CC=CC=C3S2=O)C4=CC5=CC=CC=C5C=C4","ZHQJPPISJQIXSJ-UHFFFAOYSA-N",364778,NA,"PDBC13346","631537","Present",NA,NA
+"13347","2-(1,3-Dibenzoylindol-2-yl)-1-(3,5-dimethoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Dibenzoyl-1H-indol-2-yl)-1-(3,5-dimethoxyphenyl)ethanone",NA,"COC1=CC(=CC(=C1)C(=O)CC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC","WXCVRAYRFWXQHX-UHFFFAOYSA-N",374844,NA,"PDBC13347","653270","Present",NA,NA
+"13348","2-(1,3-Dibenzoylindol-2-yl)-1-(4-methoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Dibenzoyl-1H-indol-2-yl)-1-(4-methoxyphenyl)ethanone",NA,"COC1=CC=C(C=C1)C(=O)CC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","VOVUJTNHLIGQHL-UHFFFAOYSA-N",374843,NA,"PDBC13348","653269","Present",NA,NA
+"13349","2-(1,3-Dimethyl-1-(4-morpholinyl)-3-butenyl)-1-methyl-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Dimethyl-1-(4-morpholinyl)-3-butenyl)-1-methyl-1H-indole",NA,"CC(=C)CC(C)(C1=CC2=CC=CC=C2N1C)N3CCOCC3","UMMWOXQAHOJZNA-UHFFFAOYSA-N",372683,NA,"PDBC13349","648216","Present",NA,NA
+"13350","2-(1,3-Dimethylhexahydropyrimidin-2-yl)-4-nitrophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Dimethylhexahydropyrimidin-2-yl)-4-nitrophenol",NA,"CN1CCCN(C1C2=C(C=CC(=C2)[N+](=O)[O-])O)C","KYDMEEVGQIIUIW-UHFFFAOYSA-N",288749,NA,"PDBC13350","150080","Present",NA,NA
+"13351","2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isoindolineacetic acid, .alpha.-isopropyl-1,3-dioxo- (...",NA,"CC(C)C(C(=O)O)N1C(=O)C2=CC=CC=C2C1=O","UUIPGCXIZVZSEC-UHFFFAOYSA-N",138417,NA,"PDBC13351","27515","Present",NA,NA
+"13352","2-(1,3-Dioxoinden-2-ylidene)-2-(2-hydroxyethylamino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)((2-hydroxyethyl)amino)acetonitrile",NA,"C1=CC=C2C(=C1)C(=C(C2=O)C(=NCCO)C#N)O","OVBXUZCXBGEKAR-UHFFFAOYSA-N",135403621,NA,"PDBC13352","379390","Present",NA,NA
+"13353","2-(1,3-Dioxoisoindol-2-yl)-2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Dioxoisoindol-2-yl)-2-(1,3-thiazolidin-2-yl)acetic acid;hydrochloride",NA,"C1CSC(N1)C(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O.Cl","ZAPFQWSBACWGKA-UHFFFAOYSA-N",5351977,NA,"PDBC13353","117462","Present",NA,NA
+"13354","2-(1,3-Dioxoisoindol-2-yl)-4-phenylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WHOUFHZODDPMPG-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)CCC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O","WHOUFHZODDPMPG-UHFFFAOYSA-N",240480,NA,"PDBC13354","46685","Present",NA,NA
+"13355","2-(1,3-Dioxoisoindol-2-yl)ethyl selenocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48820",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CC[Se]C#N","UJUAYZXXNLITJJ-UHFFFAOYSA-N",241444,NA,"PDBC13355","48820","Present",NA,NA
+"13356","2-(1,3-Diphenylpropan-2-yl)-1,4,5,6-tetrahydropyrimidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Diphenylpropan-2-yl)-1,4,5,6-tetrahydropyrimidine;hydrochloride",NA,"C1CNC(=NC1)C(CC2=CC=CC=C2)CC3=CC=CC=C3.Cl","ZISQOYMCVDNGDY-UHFFFAOYSA-N",54599069,NA,"PDBC13356","70568","Present",NA,NA
+"13357","2-(1,3-Disulfanylpropan-2-ylidene)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propanone, 1,3-dimercapto-, semicarbazone",NA,"C(C(=NNC(=O)N)CS)S","MJKDGEMYBONGQZ-UHFFFAOYSA-N",256143,NA,"PDBC13357","82493","Present",NA,NA
+"13358","2-(1,3-Dithian-2-yl)-1-phenylethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Dithian-2-yl)-1-phenylethanol",NA,"C1CSC(SC1)CC(C2=CC=CC=C2)O","DOCOVYUSEWNSAF-UHFFFAOYSA-N",358342,NA,"PDBC13358","618307","Present",NA,NA
+"13359","2-(1,3-Dithian-5-yl)benzylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Dithian-5-yl)benzylamine",NA,"C1C(CSCS1)C2=CC=CC=C2CN","PTKLPAXKGHNKDZ-UHFFFAOYSA-N",374813,NA,"PDBC13359","653150","Present",NA,NA
+"13360","2-(1,3-Dithietan-2-ylidene)-2-nitroacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile, 1,3-dithietan-2-ylidenenitro-",NA,"C1SC(=C(C#N)[N+](=O)[O-])S1","NOKRHONZSZUEHQ-UHFFFAOYSA-N",330355,NA,"PDBC13360","318460","Present",NA,NA
+"13361","2-(1,3-Oxazol-2-ylamino)-N-[4-[4-[[2-(1,3-oxazol-2-ylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Oxazol-2-ylamino)-N-[4-[4-[[2-(1,3-oxazol-2-ylamino)acetyl]amino]phenyl]sulfonylphenyl]acetamide",NA,"C1=CC(=CC=C1NC(=O)CNC2=NC=CO2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CNC4=NC=CO4","RPKOHKQZDIKLQW-UHFFFAOYSA-N",235925,NA,"PDBC13361","37815","Present",NA,NA
+"13362","2-(1,3-Oxazol-5-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Oxazol-5-yl)ethanol",NA,"C1=C(OC=N1)CCO","IKJGHVPKJBNLJA-UHFFFAOYSA-N",358996,NA,"PDBC13362","619208","Present",NA,NA
+"13363","2-(1,3-Pentadienyl)-5-aminooxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Pentadienyl)-5-aminooxazole-4-carbonitrile",NA,"CC=CC=CC1=NC(=C(O1)N)C#N","DNBZIBWOJPDNQY-MQQKCMAXSA-N",5469180,NA,"PDBC13363","683891","Present",NA,NA
+"13364","2-(1,4,7-Triazonan-1-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,4,7-Triazonan-1-yl)acetic acid",NA,"C1CNCCN(CCN1)CC(=O)O","SQWPTEOHBLSZQE-UHFFFAOYSA-N",393897,NA,"PDBC13364","696857","Present",NA,NA
+"13365","2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)-1-butanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,4-Dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)-1-butanol",NA,"C1CC2(CC=C1C(CCC3=CC=CC=C3I)CO)OCCO2","ZZWADSABOYPTSV-UHFFFAOYSA-N",395122,NA,"PDBC13365","699413","Present",NA,NA
+"13366","2-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-5-phenyl-7-(2-thienyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-phenyl-7-thiophen-2-yl-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN4C(C(=C(NC4=C3)C5=CC=CC=C5)C#N)C6=CC=CS6","DIFIEMOZOPACFC-UHFFFAOYSA-N",362825,NA,"PDBC13366","627182","Present",NA,NA
+"13367","2-(1,8-Dioxo-2,3,4,5,6,7,8,9-octahydro-10(1H)-acridinyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,8-Dioxo-2,3,4,5,6,7,8,9-octahydro-10(1H)-acridinyl)benzoic acid",NA,"C1CC2=C(CC3=C(N2C4=CC=CC=C4C(=O)O)CCCC3=O)C(=O)C1","IIFLRCBSRQNUQS-UHFFFAOYSA-N",379945,NA,"PDBC13367","665137","Present",NA,NA
+"13368","2-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)ethanol",NA,"C1CC(C1)(CCO)CNC2=CC(=NC(=N2)N)Cl","XJAWGTCPZMWLAC-UHFFFAOYSA-N",385225,NA,"PDBC13368","676338","Present",NA,NA
+"13369","2-(1-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-3-(2-hydroxyphenyl)-2-propenylidene)hydrazinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(2-hydroxyphenyl)prop-2-enylidene]amino]guanidine",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NN=C(N)N)C=CC2=CC=CC=C2O","NTLVAKQUJICNDB-LRWKZWCDSA-N",135499276,NA,"PDBC13369","647607","Present",NA,NA
+"13370","2-(1-(2-Chlorobenzyl)-2-methyl-5-(methylthio)-1H-indol-3-yl)ethanamine, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(2-chlorobenzyl)-2-methyl-5-(methylthio)-1H-indol-3...",NA,"CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=CC(=C2)SC)CCN.Cl","IORPXUDDKDSURS-UHFFFAOYSA-N",24182510,NA,"PDBC13370","17383","Present",NA,NA
+"13371","2-(1-(3,4,5-Trimethoxyphenyl)propylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(3,4,5-Trimethoxyphenyl)propylidene)malononitrile",NA,"CCC(=C(C#N)C#N)C1=CC(=C(C(=C1)OC)OC)OC","FCEMZEGMFYPZHE-UHFFFAOYSA-N",374957,NA,"PDBC13371","653615","Present",NA,NA
+"13372","2-(1-(3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)-2,5-cyclohexadien-1-yl)ethylidene)malonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)-2,5-cyclohexadien-1-yl)ethylidene)malonamide",NA,"CC(=C(C(=O)N)C(=O)N)C1C=C(CC(=C1O)C2=CC=C(C=C2)Cl)C3=CC=CS3","QINYNRKXUCSWJJ-UHFFFAOYSA-N",392312,NA,"PDBC13372","692588","Present",NA,NA
+"13373","2-(1-(4-(2-Pyridyl)piperazino))naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-(2-Pyridyl)piperazino))naphthazarin",NA,"C1CN(CCN1C2=CC=CC=N2)C3=CC(=O)C4=C(C=CC(=C4C3=O)O)O","HEWUHYSMTMXSKM-UHFFFAOYSA-N",376947,NA,"PDBC13373","658142","Present",NA,NA
+"13374","2-(1-(4-(Dimethylamino)phenyl)-2-(9H-thioxanthen-9-ylidene)ethylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-(Dimethylamino)phenyl)-2-(9H-thioxanthen-9-ylidene)ethylidene)malononitrile",NA,"CN(C)C1=CC=C(C=C1)C(=C(C#N)C#N)C=C2C3=CC=CC=C3SC4=CC=CC=C42","OQUZBDCNUWNKQE-UHFFFAOYSA-N",363964,NA,"PDBC13374","629501","Present",NA,NA
+"13375","2-(1-(4-(N-Ipropylacetamido)piperazine))-3-chloro-5,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-(N-iPropylacetamido)piperazine))-3-chloro- 5,8-d...",NA,"CC(C)NC(=O)CN1CCN(CC1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","OGMQVHZJFXYVQM-UHFFFAOYSA-N",438683,NA,"PDBC13375","658445","Present",NA,NA
+"13376","2-(1-(4-(N-Ipropylacetamido)piperazine))-5,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-(N-iPropylacetamido)piperazine))-5,8-dihydroxy- ...",NA,"CC(C)NC(=O)CN1CCN(CC1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O","VWLXYTOSWLXXFC-UHFFFAOYSA-N",438682,NA,"PDBC13376","658444","Present",NA,NA
+"13377","2-(1-(4-Bromophenyl)ethyl)malonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-Bromophenyl)ethyl)malonic acid",NA,"CC(C1=CC=C(C=C1)Br)C(C(=O)O)C(=O)O","TYGVBFOMMPIOEY-UHFFFAOYSA-N",362078,NA,"PDBC13377","625601","Present",NA,NA
+"13378","2-(1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-2-butanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-Chlorophenyl)-1H-1,2,3-triazol-4-yl)-2-butanol",NA,"CCC(C)(C1=CN(N=N1)C2=CC=C(C=C2)Cl)O","QCGAVDFXVYKUDE-UHFFFAOYSA-N",365363,NA,"PDBC13378","632948","Present",NA,NA
+"13379","2-(1-(4-Chlorophenyl)-5-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-Chlorophenyl)-5-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine",NA,"C1CNC(=NC1)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","NUFHHRRFCCGPFF-UHFFFAOYSA-N",371086,NA,"PDBC13379","645032","Present",NA,NA
+"13380","2-(1-(4-Methyl)piperazino)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-Methyl)piperazino)naphthazarin",NA,"CN1CCN(CC1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O","RXECSWVTQJGVHH-UHFFFAOYSA-N",378626,NA,"PDBC13380","661419","Present",NA,NA
+"13381","2-(1-(Methoxymethyl)-1H-pyrazol-4-yl)-3,5,6-trimethylbenzo-1,4-quinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(Methoxymethyl)-1H-pyrazol-4-yl)-3,5,6-trimethylbenzo-1,4-quinone",NA,"CC1=C(C(=O)C(=C(C1=O)C)C2=CN(N=C2)COC)C","NSVITLWGSHBBRK-UHFFFAOYSA-N",382100,NA,"PDBC13381","669459","Present",NA,NA
+"13382","2-(1-(Quinolin-2(1H)-ylidenehydrazono)ethyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(quinolin-2(1H)-ylidenehydrazono)ethyl)phenol",NA,"CC(=NNC1=NC2=CC=CC=C2C=C1)C3=CC=CC=C3O","IZHPDVLGPQNUBP-XDHOZWIPSA-N",135443554,NA,"PDBC13382","168466","Present",NA,NA
+"13383","2-(1-Acetoxy-3-oxo-1,2]iodazol-2-yl)-propionic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Acetoxy-3-oxo-1,3-dihydro-1l3-benzo[d][1,2]iodazol-...",NA,"CC(C(=O)OC)N1C(=O)C2=CC=CC=C2I1OC(=O)C","CAMJFSNITJAXEK-UHFFFAOYSA-N",24203069,NA,"PDBC13383","726628","Present",NA,NA
+"13384","2-(1-Acetyl-2-methoxyindol-3-yl)-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Acetyl-2-methoxyindol-3-yl)-1-phenylethanone",NA,"CC(=O)N1C2=CC=CC=C2C(=C1OC)CC(=O)C3=CC=CC=C3","XSNCPQUOSDMBKU-UHFFFAOYSA-N",360060,NA,"PDBC13384","621858","Present",NA,NA
+"13385","2-(1-Acetylindol-3-yl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Acetyl-1H-indol-3-yl)-5-phenyl-6-oxa-4-aza-spiro[2.4]hept-4-en-7-one",NA,"CC(=O)N1C=C(C2=CC=CC=C21)C3CC34C(=O)OC(=N4)C5=CC=CC=C5","COXOBFSHHBLWJW-UHFFFAOYSA-N",399302,NA,"PDBC13385","709991","Present",NA,NA
+"13386","2-(1-Adamantyl)-3H-chromeno[3,4-c]pyridine-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Adamantyl)-3H-chromeno[3,4-c]pyridine-4,5-dione",NA,"C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C(=O)N4)C(=O)OC6=CC=CC=C65","DBGDBAKUONXXJW-UHFFFAOYSA-N",397581,NA,"PDBC13386","705901","Present",NA,NA
+"13387","2-(1-Adamantyl)-5-(2-thienyl)-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Adamantyl)-5-(2-thienyl)-1,3,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC=CS5","AEXVLDHIFPPMAX-UHFFFAOYSA-N",380439,NA,"PDBC13387","665962","Present",NA,NA
+"13388","2-(1-Adamantyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Adamantyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC=C(C=C5)Cl","UULKOPDDXSIABO-UHFFFAOYSA-N",380436,NA,"PDBC13388","665959","Present",NA,NA
+"13389","2-(1-Adamantyl)-6-chloro-3-propylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Adamantyl)-6-chloro-3-propylquinazolin-4-one",NA,"CCCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1C34CC5CC(C3)CC(C5)C4","QVQMPSALEDQSSB-UHFFFAOYSA-N",401150,NA,"PDBC13389","714096","Present",NA,NA
+"13390","2-(1-Adamantylcarbonyl)-N-benzylhydrazinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK040860",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NNC(=S)NCC4=CC=CC=C4","VDFMALRIYRBPNL-UHFFFAOYSA-N",3004971,NA,"PDBC13390","665949","Present",NA,NA
+"13391","2-(1-Adamantylcarbonyl)-N-cyclohexylhydrazinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK664352",NA,"C1CCC(CC1)NC(=S)NNC(=O)C23CC4CC(C2)CC(C4)C3","ZOLMGNOMKCVWKK-UHFFFAOYSA-N",3004968,NA,"PDBC13391","665946","Present",NA,NA
+"13392","2-(1-Adamantylcarbonyl)-N-ethylhydrazinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK023897",NA,"CCNC(=S)NNC(=O)C12CC3CC(C1)CC(C3)C2","KHXAQAGISGDPOA-UHFFFAOYSA-N",3004967,NA,"PDBC13392","665945","Present",NA,NA
+"13393","2-(1-Amino-2,2,2-trifluoro-1-phenylethyl)-4H-1,3,2-benzodioxaphosphinin-4-one 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Amino-2,2,2-trifluoro-1-phenylethyl)-4H-1,3,2-benzodioxaphosphinin-4-one 2-oxide",NA,"C1=CC=C(C=C1)C(C(F)(F)F)(N)P2(=O)OC3=CC=CC=C3C(=O)O2","XANUINOEWNPJKP-UHFFFAOYSA-N",394933,NA,"PDBC13393","699033","Present",NA,NA
+"13394","2-(1-Anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Anilino-4,5-dimethylimidazol-2-yl)sulfanyl-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide",NA,"CC1=C(N(C(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl)NC4=CC=CC=C4)C","HICKHUWRQNHRDE-UHFFFAOYSA-N",54613367,NA,"PDBC13394","751266","Present",NA,NA
+"13395","2-(1-Anilino-4-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Anilino-4-methyl-5-phenylimidazol-2-yl)sulfanyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide",NA,"CC1=C(N(C(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)OC)NC4=CC=CC=C4)C5=CC=CC=C5","FLIFJXOZZUOGBH-UHFFFAOYSA-N",60148160,NA,"PDBC13395","753772","Present",NA,NA
+"13396","2-(1-Aziridinyl)ethyl vinyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Aziridinyl)ethyl vinyl sulfone",NA,"C=CS(=O)(=O)CCN1CC1","ZIUDSRXDYJYXLS-UHFFFAOYSA-N",282512,NA,"PDBC13396","136014","Present",NA,NA
+"13397","2-(1-Benzothien-4-yl)-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Benzothien-4-yl)-4,5-dihydro-1,3-oxazole",NA,"C1COC(=N1)C2=C3C=CSC3=CC=C2","HDCSNPZUIUBFAK-UHFFFAOYSA-N",379587,NA,"PDBC13397","664277","Present",NA,NA
+"13398","2-(1-Benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)-3-(propan-2-ylideneamino)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)-3-(propan-2-ylideneamino)guanidine",NA,"CC(=NNC(=NS(=O)(=O)C1=CC2=CC=CC=C2S1)NC3=CC=C(C=C3)Cl)C","SDRVBAGMNWWVCJ-UHFFFAOYSA-N",9572185,NA,"PDBC13398","706453","Present",NA,NA
+"13399","2-(1-Benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Benzothiophen-2-ylsulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"C1=CC=C2C(=C1)C=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","SGWAZAYTFBLFIQ-UHFFFAOYSA-N",9572191,NA,"PDBC13399","707034","Present",NA,NA
+"13400","2-(1-Benzothiophen-3-ylmethyl)-7-methyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzothiophen-3-ylmethyl)-7-methyl-1h-1,8-naphthyridin-4-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)CC3=CSC4=CC=CC=C43","MXKQBRPYBWVGQX-UHFFFAOYSA-N",397853,NA,"PDBC13400","706466","Present",NA,NA
+"13401","2-(1-Benzoyl-1,2-dihydro-2-quinolinyl)-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Benzoyl-1,2-dihydro-2-quinolinyl)-1-phenylethanone",NA,"C1=CC=C(C=C1)C(=O)CC2C=CC3=CC=CC=C3N2C(=O)C4=CC=CC=C4","YEANANYGJKAFAG-UHFFFAOYSA-N",272364,NA,"PDBC13401","116709","Present",NA,NA
+"13402","2-(1-Benzoyl-2-oxo-2-phenylethyl)-2-hydroxy-1H-indene-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Benzoyl-2-oxo-2-phenylethyl)-2-hydroxy-1H-indene-1,3(2H)-dione",NA,"C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)C3(C(=O)C4=CC=CC=C4C3=O)O","XKDMAXQFOGQBEO-UHFFFAOYSA-N",363395,NA,"PDBC13402","628298","Present",NA,NA
+"13403","2-(1-Benzyl-3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl)pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-benzyl-3-(3-methoxyphenyl)-1H-1,2,4-triazol-5-yl)py...",NA,"COC1=CC=CC(=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC4=CC=CC=C4","WQNGRLXEHQLOJB-UHFFFAOYSA-N",375976,NA,"PDBC13403","656342","Present",NA,NA
+"13404","2-(1-Benzyl-3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl)pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Benzyl-3-(3-methylphenyl)-1H-1,2,4-triazol-5-yl)pyrazine",NA,"CC1=CC(=CC=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC4=CC=CC=C4","OLUAWZPBTHYHRH-UHFFFAOYSA-N",375974,NA,"PDBC13404","656340","Present",NA,NA
+"13405","2-(1-Benzylpyridin-1-ium-3-yl)-1H-indole;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Benzylpyridin-1-ium-3-yl)-1H-indole;bromide",NA,"C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C3=CC4=CC=CC=C4N3.[Br-]","DVCMCVJYSKMSLS-UHFFFAOYSA-M",5351982,NA,"PDBC13405","118806","Present",NA,NA
+"13406","2-(1-Butyl-3-methyl-4-hydroxy-1,2-butadienyl)pyrrolidine-1-carboxylic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-[1-(3-hydroxy-2-methylprop-1-en-1-ylidene)pentyl]pyrrolidine-1-carboxylate",NA,"CCCCC(=C=C(C)CO)C1CCCN1C(=O)OC(C)(C)C","IAPHLBHATWMZAM-UHFFFAOYSA-N",401635,NA,"PDBC13406","715337","Present",NA,NA
+"13407","2-(1-Cinnamyl-3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Cinnamyl-3-phenyl-1H-1,2,4-triazol-5-yl)pyrazine",NA,"C1=CC=C(C=C1)C=CCN2C(=NC(=N2)C3=CC=CC=C3)C4=NC=CN=C4","HZHZUUIYLXEPAL-JXMROGBWSA-N",5812862,NA,"PDBC13407","656343","Present",NA,NA
+"13408","2-(1-Cyano-1,2,5,6-tetrahydro-3-pyridinyl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Cyano-1,2,5,6-tetrahydro-3-pyridinyl)-1H-indole",NA,"C1CN(CC(=C1)C2=CC3=CC=CC=C3N2)C#N","RNRBMXLCGSJRAR-UHFFFAOYSA-N",372628,NA,"PDBC13408","648077","Present",NA,NA
+"13409","2-(1-Cyclopenten-1-yl)-2-dimethylaminoethyl-5-(E)-[(4-chloro) benzylidene] cyclopentanone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 5-[(4-chlorophenyl)methylene]- 2-(1-cycl...",NA,"CN(C)CCC1(CCC(=CC2=CC=C(C=C2)Cl)C1=O)C3=CCCC3.Cl","CKTXVMBBSIGCBL-INTLEYBYSA-N",6516862,NA,"PDBC13409","639623","Present",NA,NA
+"13410","2-(1-Ethoxy-1H-indole-3-yl)-3-(1H-indole-3-yl)maleimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Indol-3-yl)-4-(1-ethoxy-indol-3-yl)-pyrrole-2,5-dione",NA,"CCON1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54","ADRXEMKBYDKFTQ-UHFFFAOYSA-N",406499,NA,"PDBC13410","724626","Present",NA,NA
+"13411","2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carbonitrile",NA,"CCC(C(OCC)OC1=C(CCCC1)C#N)[Se]C2=CC=CC=C2","OXDYHZVUZBXYTA-UHFFFAOYSA-N",371751,NA,"PDBC13411","646194","Present",NA,NA
+"13412","2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carbonitrile",NA,"CCC(C(OCC)OC1=C(CCC1)C#N)[Se]C2=CC=CC=C2","KOIAZWOJLMZVJC-UHFFFAOYSA-N",371750,NA,"PDBC13412","646193","Present",NA,NA
+"13413","2-(1-Ethoxy-2-(phenylseleno)propoxy)-1-cyclohexene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Ethoxy-2-(phenylseleno)propoxy)-1-cyclohexene-1-carbonitrile",NA,"CCOC(C(C)[Se]C1=CC=CC=C1)OC2=C(CCCC2)C#N","ZDIDBRVXLHNHTB-UHFFFAOYSA-N",371759,NA,"PDBC13413","646202","Present",NA,NA
+"13414","2-(1-Ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carbonitrile",NA,"CCOC(C(C)[Se]C1=CC=CC=C1)OC2=C(CCC2)C#N","MNNWYHBJQJBBTO-UHFFFAOYSA-N",371746,NA,"PDBC13414","646189","Present",NA,NA
+"13415","2-(1-Hydroxy-1-methylbutyl)octanal oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-1-methylbutyl)octanal oxime",NA,"CCCCCCC(C=NO)C(C)(CCC)O","FWDMPPJLAFGVPE-SDNWHVSQSA-N",9555815,NA,"PDBC13415","633175","Present",NA,NA
+"13416","2-(1-Hydroxy-3,4-dioxo-5-methoxy-3,4-dihydronaphthalene-2-yl)-3-methoxy-5-methylbenzoic acid delta-lactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,10-Dimethoxy-8-methylnaphtho[1,2-c]isochromene-6,11,12-trione",NA,"CC1=CC2=C(C(=C1)OC)C3=C(C4=C(C(=CC=C4)OC)C(=O)C3=O)OC2=O","ZFVQJCPYZSPLKM-UHFFFAOYSA-N",401273,NA,"PDBC13416","714528","Present",NA,NA
+"13417","2-(1-Hydroxy-3-methoxy-4-oxo-1-naphthyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-3-methoxy-4-oxo-1-naphthyl)acetamide",NA,"COC1=CC(C2=CC=CC=C2C1=O)(CC(=O)N)O","NRMAGJAQTXUFRD-UHFFFAOYSA-N",326572,NA,"PDBC13417","298224","Present",NA,NA
+"13418","2-(1-Hydroxy-4-methylcyclohexyl)-2-phenylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-4-methylcyclohexyl)-2-phenylpropanoic acid",NA,"CC1CCC(CC1)(C(C)(C2=CC=CC=C2)C(=O)O)O","SDZZZXHNQQUDMW-UHFFFAOYSA-N",237710,NA,"PDBC13418","41431","Present",NA,NA
+"13419","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N,N-dimethylpropanamide",NA,"CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)N(C)C)O","XFKCMNGWFYLFNW-UHFFFAOYSA-N",360737,NA,"PDBC13419","623076","Present",NA,NA
+"13420","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-methylpropyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-methylpropyl)propanamide",NA,"CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)NCC(C)C)O","LSLXPIOSZILQSX-UHFFFAOYSA-N",360735,NA,"PDBC13420","623074","Present",NA,NA
+"13421","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-methylpropanamide",NA,"CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)NC)O","WPSYMGHWDCYYQT-UHFFFAOYSA-N",360730,NA,"PDBC13421","623069","Present",NA,NA
+"13422","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-prop-2-enylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-prop-2-enylpropanamide",NA,"CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)NCC=C)O","DPQGNKKFTGNMBY-UHFFFAOYSA-N",360738,NA,"PDBC13422","623077","Present",NA,NA
+"13423","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propan-2-ylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propan-2-ylpropanamide",NA,"CC1=C2C(C(CCC2(C=CC1=O)C)C(C)C(=O)NC(C)C)O","LCOFFGDUWOVHTJ-UHFFFAOYSA-N",360733,NA,"PDBC13423","623072","Present",NA,NA
+"13424","2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)-N-propylpropanamide",NA,"CCCNC(=O)C(C)C1CCC2(C=CC(=O)C(=C2C1O)C)C","YMNILTLTTOXQKX-UHFFFAOYSA-N",360732,NA,"PDBC13424","623071","Present",NA,NA
+"13425","2-(1-Hydroxycyclopent-2-en-1-yl)-N,N-bis[(4-methoxyphenyl)methyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxycyclopent-2-en-1-yl)-N,N-bis[(4-methoxyphenyl)methyl]acetamide",NA,"COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=O)CC3(CCC=C3)O","GRXIAQVPMHZEAB-UHFFFAOYSA-N",393630,NA,"PDBC13425","695838","Present",NA,NA
+"13426","2-(1-Hydroxyethyl)thieno[2,3-f][1]benzothiole-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-(1-hydroxyet...",NA,"CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3)O","HLSTYWBADAGQLR-UHFFFAOYSA-N",388024,NA,"PDBC13426","682449","Present",NA,NA
+"13427","2-(1-Hydroxypropyl)-4-methyl-2,3-dihydroanthra[1,2-b]furan-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxypropyl)-4-methyl-2,3-dihydroanthra[1,2-b]furan-6,11-dione",NA,"CCC(C1CC2=C(O1)C3=C(C=C2C)C(=O)C4=CC=CC=C4C3=O)O","XCZPSKZKNPMOFK-UHFFFAOYSA-N",363869,NA,"PDBC13427","629159","Present",NA,NA
+"13428","2-(1-Methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetamide",NA,"CN1C(=O)C2=C(N=CN2)N(C1=O)CC(=O)N","JENDQXGDRZSJDH-UHFFFAOYSA-N",367816,NA,"PDBC13428","637881","Present",NA,NA
+"13429","2-(1-Methyl-2-oxoindolin-3-ylidene)indolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methylindirubin",NA,"CN1C2=CC=CC=C2C(=C1O)C3=NC4=CC=CC=C4C3=O","ZZKJCVBEHCXRSI-UHFFFAOYSA-N",403160,NA,"PDBC13429","717811","Present",NA,NA
+"13430","2-(1-Methylindol-3-yl)-2,3-dihydro-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinazolinone, 2,3-dihydro-2-(1-methyl-1H-indol-3-...",NA,"CN1C=C(C2=CC=CC=C21)C3NC4=CC=CC=C4C(=O)N3","GQSQKIVHIQRRJM-UHFFFAOYSA-N",334489,NA,"PDBC13430","339877","Present",NA,NA
+"13431","2-(1-Methylindol-3-yl)-4-(1-methylpyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-methyl-3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]...",NA,"CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CN(C5=CC=CC=C54)C","LBOQGNUYJJSSMG-UHFFFAOYSA-N",155812488,NA,"PDBC13431","801587","Present",NA,NA
+"13432","2-(1-Methylindol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrro...",NA,"CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","JHXBMBMLLCTHTB-UHFFFAOYSA-N",155812479,NA,"PDBC13432","801586","Present",NA,NA
+"13433","2-(1-Methylnaphthalen-2-yl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Methylnaphthalen-2-yl)pyridine",NA,"CC1=C(C=CC2=CC=CC=C12)C3=CC=CC=N3","PQJWHHKWBDMMFZ-UHFFFAOYSA-N",261516,NA,"PDBC13433","93846","Present",NA,NA
+"13434","2-(1-Naphthyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Naphthyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC6=CC=CC=C65","RPIIXKQGDLCXIA-UHFFFAOYSA-N",364776,NA,"PDBC13434","631535","Present",NA,NA
+"13435","2-(1-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=CC4=CC=CC=C43)C","OKROBUVTAGQCKV-UHFFFAOYSA-N",5468781,NA,"PDBC13435","676184","Present",NA,NA
+"13436","2-(1-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC4=CC=CC=C43","DAYKXJRPLWUPRH-UHFFFAOYSA-N",385177,NA,"PDBC13436","676181","Present",NA,NA
+"13437","2-(1-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC4=CC=CC=C43","OKZRVQQAEAXGHY-UHFFFAOYSA-N",5468780,NA,"PDBC13437","676183","Present",NA,NA
+"13438","2-(1-Naphthyl)ethyl 3,4-dihydroxycinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VFBDUQDKOJTRNI-PKNBQFBNSA-N",NA,"C1=CC=C2C(=C1)C=CC=C2CCOC(=O)C=CC3=CC(=C(C=C3)O)O","VFBDUQDKOJTRNI-PKNBQFBNSA-N",5468519,NA,"PDBC13438","671184","Present",NA,NA
+"13439","2-(1-Naphthylmethylene)-1-indanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB01099875-03",NA,"C1C2=CC=CC=C2C(=O)C1=CC3=CC=CC4=CC=CC=C43","RQGPJWXDRZLKDH-SFQUDFHCSA-N",1550327,NA,"PDBC13439","665377","Present",NA,NA
+"13440","2-(1-Naphthylsulfonylsulfanyl)-4,5-dihydro-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Naphthylsulfonylsulfanyl)-4,5-dihydro-1H-imidazole",NA,"C1CN=C(N1)SS(=O)(=O)C2=CC=CC3=CC=CC=C32","NDWQPJGIMYYXAX-UHFFFAOYSA-N",389917,NA,"PDBC13440","686568","Present",NA,NA
+"13441","2-(1-Oxido-15-oxa-11-aza-1-azoniahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Oxido-15-oxa-11-aza-1-azoniahexacyclo[16.3.1.04,12.04,21.05,10.013,19]docosa-5,7,9,17-tetraen-14-yl)acetic acid",NA,"C1C[N+]2(CC3=CCOC(C4C3CC2C15C4NC6=CC=CC=C56)CC(=O)O)[O-]","LKMZZBZFIQDLES-UHFFFAOYSA-N",275183,NA,"PDBC13441","121847","Present",NA,NA
+"13442","2-(1-Oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxo-N-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-Dioxo-4H-1lambda4,4-benzothiazin-2-yl)-2-oxo-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide",NA,"C1=CC=C2C(=C1)NC(=O)C(S2=O)C(=O)C(=O)NC3=NC(=S)NN3","HKGYJZNTRDWZLP-UHFFFAOYSA-N",3004344,NA,"PDBC13442","646818","Present",NA,NA
+"13443","2-(1-Oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-phenylacetamide",NA,"C1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","YQSBLURPJKRNCP-UHFFFAOYSA-N",366106,NA,"PDBC13443","634393","Present",NA,NA
+"13444","2-(1-Oxido-4-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Oxido-4-(2-thienyl)-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol",NA,"C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CS3)C4=CC=CC=C4O","NGOLXNTVIRFVBA-UHFFFAOYSA-N",364784,NA,"PDBC13444","631543","Present",NA,NA
+"13445","2-(1-Phenyl-1,2,4-triazol-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Phenyl-1,2,4-triazol-3-yl)acetamide",NA,"C1=CC=C(C=C1)N2C=NC(=N2)CC(=O)N","OENPFJGNWIQYEE-UHFFFAOYSA-N",387233,NA,"PDBC13445","680808","Present",NA,NA
+"13446","2-(1-Phenyl-3-(1-pyrrolidinyl)propyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Phenyl-3-(1-pyrrolidinyl)propyl)pyridine",NA,"C1CCN(C1)CCC(C2=CC=CC=C2)C3=CC=CC=N3","RVICOCMXZVHRHL-UHFFFAOYSA-N",238475,NA,"PDBC13446","42824","Present",NA,NA
+"13447","2-(1-Piperazino)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Piperazino)naphthazarin",NA,"C1CN(CCN1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O","GVVGPDXNUWYFEG-UHFFFAOYSA-N",376949,NA,"PDBC13447","658144","Present",NA,NA
+"13448","2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-(3-chlorophenyl)ethyl]4,6-dichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dichloro-5-[2-(3-chlorophenyl)-1-(4-chlorophenyl)ethyl]-2-piperazin-1-ylpyrimidine",NA,"C1CN(CCN1)C2=NC(=C(C(=N2)Cl)C(CC3=CC(=CC=C3)Cl)C4=CC=C(C=C4)Cl)Cl","XJNSDCGPKMHVLU-UHFFFAOYSA-N",393584,NA,"PDBC13448","695655","Present",NA,NA
+"13449","2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-phenylethyl]-4,6-dichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Piperazinyl)-5-[1-(4-chlorophenyl)-2-phenylethyl]-4,6-dichloropyrimidine",NA,"C1CN(CCN1)C2=NC(=C(C(=N2)Cl)C(CC3=CC=CC=C3)C4=CC=C(C=C4)Cl)Cl","BTPBUQKJMHWWNF-UHFFFAOYSA-N",393583,NA,"PDBC13449","695654","Present",NA,NA
+"13450","2-(1-Piperazinyl)-N-(3-pyridinylmethyl)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UJUAARGDLUVXPB-UHFFFAOYSA-N",NA,"C1CN(CCN1)CCNCC2=CN=CC=C2","UJUAARGDLUVXPB-UHFFFAOYSA-N",248753,NA,"PDBC13450","66184","Present",NA,NA
+"13451","2-(1-Piperidinyl)-1-thia-3,9-diaza-9H-fluorene-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Piperidin-1-yl[1,3]thiazino[6,5-b]indol-4(9h)-one",NA,"C1CCN(CC1)C2=NC(=O)C3=C(S2)NC4=CC=CC=C43","OWWCTFOEODFJDM-UHFFFAOYSA-N",405280,NA,"PDBC13451","722433","Present",NA,NA
+"13452","2-(1-Piperidinyl)-2,8-diazaspiro[4.5]decane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Piperidinyl)-2,8-diazaspiro[4.5]decane-1,3-dione",NA,"C1CCN(CC1)N2C(=O)CC3(C2=O)CCNCC3","NITHFSWJMQEJFA-UHFFFAOYSA-N",380317,NA,"PDBC13452","665796","Present",NA,NA
+"13453","2-(1-Piperidinyl)-9-(tert-butyloxycarbonyl)-1-thia-3,9-diaza-9H-fluorene-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-oxo-2-piperidin-1-yl[1,3]thiazino[6,5-b]indole-9(4h)-carboxylate",NA,"CC(C)(C)OC(=O)N1C2=CC=CC=C2C3=C1SC(=NC3=O)N4CCCCC4","GPXOXNKZSKVRAV-UHFFFAOYSA-N",405279,NA,"PDBC13453","722432","Present",NA,NA
+"13454","2-(1-Piperidyl)-1-[1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Piperidyl)-1-[1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]ethanone",NA,"C1CCN(CC1)CC(=O)N2CCC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35","DMHVIMVONPDXEQ-UHFFFAOYSA-N",365595,NA,"PDBC13454","633396","Present",NA,NA
+"13455","2-(1-Propynyl)estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Propynyl)-3,17.beta.-estradiol",NA,"CC#CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","VFBWVXKSUXUBTB-OKSLILNBSA-N",388008,NA,"PDBC13455","682429","Present",NA,NA
+"13456","2-(1-Pyrrolidinyl)-2,8-diazaspiro[4.5]decane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Pyrrolidinyl)-2,8-diazaspiro[4.5]decane-1,3-dione",NA,"C1CCN(C1)N2C(=O)CC3(C2=O)CCNCC3","GJOJOYHOPZRSLE-UHFFFAOYSA-N",380346,NA,"PDBC13456","665871","Present",NA,NA
+"13457","2-(10-Acetyl-10H-phenothiazin-3-yl)-1,1,1,3,3,3-hexafluoro-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(10-Acetyl-10H-phenothiazin-3-yl)-1,1,1,3,3,3-hexafluoro-2-propanol",NA,"CC(=O)N1C2=C(C=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)SC3=CC=CC=C31","ZAYHTINHCHFWIJ-UHFFFAOYSA-N",293514,NA,"PDBC13457","160145","Present",NA,NA
+"13458","2-(10-Heptadecenyl)-6-hydroxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ginkgolic acid C17:1",NA,"CCCCCCC=CCCCCCCCCCC1=C(C(=CC=C1)O)C(=O)O","MBYNDKVOZOAOIS-FPLPWBNLSA-N",5469634,NA,"PDBC13458","691034","Present",NA,NA
+"13459","2-(10-Methyl-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(10-Methyl-3,3a,4,5-tetrahydropyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl)acetic acid",NA,"CN1C2=CC=CC=C2NC(C3N1C=CC3)CC(=O)O","NXOVSUNNDDJNNW-UHFFFAOYSA-N",370731,NA,"PDBC13459","644250","Present",NA,NA
+"13460","2-(10H-Phenothiazin-10-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenothiazine-10-ethanol",NA,"C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCO","FMENRHNHBUWRMN-UHFFFAOYSA-N",352306,NA,"PDBC13460","525720","Present",NA,NA
+"13461","2-(10H-Phenothiazin-10-yl)ethyl methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(10H-Phenothiazin-10-yl)ethyl methylcarbamate",NA,"CNC(=O)OCCN1C2=CC=CC=C2SC3=CC=CC=C31","XOFQVAXBLDDAKA-UHFFFAOYSA-N",377569,NA,"PDBC13461","659134","Present",NA,NA
+"13462","2-(11-Hydroxyundecyl)-2,8,8-trimethylcyclooctanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(11-Hydroxyundecyl)-2,8,8-trimethylcyclooctanone",NA,"CC1(CCCCCC(C1=O)(C)CCCCCCCCCCCO)C","AVVHASCLAPEHMY-UHFFFAOYSA-N",385904,NA,"PDBC13462","677305","Present",NA,NA
+"13463","2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethanol",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCO","BKCCPNSLLMMITP-UHFFFAOYSA-N",24205771,NA,"PDBC13463","736606","Present",NA,NA
+"13464","2-(12-Hydroxydodecyl)-2,12,12-trimethylcyclododecanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(12-Hydroxydodecyl)-2,12,12-trimethylcyclododecanone",NA,"CC1(CCCCCCCCCC(C1=O)(C)CCCCCCCCCCCCO)C","DDVIVCCZIQBRGI-UHFFFAOYSA-N",385902,NA,"PDBC13464","677303","Present",NA,NA
+"13465","2-(12-Methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)-N,N-dimethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxy-8,10,15,18-tetrazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-1(18),2(7),3,5,9,11(20),12,14(19)-octaen-15-yl)-N,N-dimethylethanamine",NA,"CN(C)CCN1CCN=C2C3=C(C=CC(=C3)OC)N4C=NC5=C4C2=C1C=C5","WXOLZCJGPDYUAH-UHFFFAOYSA-N",377157,NA,"PDBC13465","658359","Present",NA,NA
+"13466","2-(12-Methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(12-Methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)ethanol",NA,"COC1=CC2=C(C=C1)N3C=NC4=C3C5=C(C=C4)N(CCN=C25)CCO","HWQBWYFNCCFWGJ-UHFFFAOYSA-N",377156,NA,"PDBC13466","658358","Present",NA,NA
+"13467","2-(12H-Benzo[a]phenothiazin-12-yl)-N,N-diethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(12H-Benzo[a]phenothiazin-12-yl)-N,N-diethylethanamine",NA,"CCN(CC)CCN1C2=CC=CC=C2SC3=C1C4=CC=CC=C4C=C3","VKJJBAOUCOSHBQ-UHFFFAOYSA-N",227337,NA,"PDBC13467","18883","Present",NA,NA
+"13468","2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)-N,N-dimethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)-N,N-dimethylethanamine",NA,"CN(C)CCN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC","MEUZLCAZKOFOFF-UHFFFAOYSA-N",377171,NA,"PDBC13468","658373","Present",NA,NA
+"13469","2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanol",NA,"COC1=CC2=C3C4=C(C=CC(=C4N=C2C=C1)[N+](=O)[O-])N(CCN3)CCO","VLNDNBAOBAIQOF-UHFFFAOYSA-N",377153,NA,"PDBC13469","658355","Present",NA,NA
+"13470","2-(14,16-Diphenyl-2,13-diazapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-2,4,6,8,11,14-hexaen-10-ylidene)indene-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(14,16-Diphenyl-2,13-diazapentacyclo[11.8.0.01,17.03,12.04,9]henicosa-2,4,6,8,11,14-hexaen-10-ylidene)indene-1,3-dione",NA,"C1CCC23C(C1)C(C=C(N2C4=CC(=C5C(=O)C6=CC=CC=C6C5=O)C7=CC=CC=C7C4=N3)C8=CC=CC=C8)C9=CC=CC=C9","VZUHURHOGWDWGS-UHFFFAOYSA-N",402131,NA,"PDBC13470","715988","Present",NA,NA
+"13471","2-(1H-Benzimidazol-2-yl((4-chlorophenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl((4-chlorophenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one",NA,"C1C(=O)N=C(S1)C(C2=NC3=CC=CC=C3N2)N=NC4=CC=C(C=C4)Cl","HMYOJHODMMXPRD-UHFFFAOYSA-N",374384,NA,"PDBC13471","652050","Present",NA,NA
+"13472","2-(1H-Benzimidazol-2-yl((4-methylphenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl((4-methylphenyl)diazenyl)methyl)-1,3-thiazol-4(5H)-one",NA,"CC1=CC=C(C=C1)N=NC(C2=NC3=CC=CC=C3N2)C4=NC(=O)CS4","MOOTYKWSLGHWLW-UHFFFAOYSA-N",374383,NA,"PDBC13472","652049","Present",NA,NA
+"13473","2-(1H-Benzimidazol-2-yl)-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_005447",NA,"C1=CC=C2C(=C1)NC(=N2)C3=NC4=CC=CC=C4O3","IOKQVGHOQCPQNH-UHFFFAOYSA-N",373877,NA,"PDBC13473","650840","Present",NA,NA
+"13474","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-(4-chlorobenzoyl)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-(4-chlorobenzoyl)benzohydrazide",NA,"C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NNC(=O)C4=CC=C(C=C4)Cl","ITFSDODMAVIXNI-UHFFFAOYSA-N",402424,NA,"PDBC13474","716355","Present",NA,NA
+"13475","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,5-dimethoxyphenyl)benzamide",NA,"COC1=CC(=C(C=C1)OC)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3","HCPKKLRLBIFHCQ-UHFFFAOYSA-N",402421,NA,"PDBC13475","716352","Present",NA,NA
+"13476","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,6-dichlorophenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(2,6-dichlorophenyl)benzamide",NA,"C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NC4=C(C=CC=C4Cl)Cl","HTRMIGAYWUNNDT-UHFFFAOYSA-N",402420,NA,"PDBC13476","716351","Present",NA,NA
+"13477","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2NC(=O)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NC6=CC=CC=C6N5","LKJHVKWHVKZZHS-ZHZULCJRSA-N",5472124,NA,"PDBC13477","716347","Present",NA,NA
+"13478","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(4Z)-4-[(4-methylsulfanylphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]benzamide",NA,"CSC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)NC(=O)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NC6=CC=CC=C6N5","ABXXNGNVPYECNJ-QNGOZBTKSA-N",5472125,NA,"PDBC13478","716348","Present",NA,NA
+"13479","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide",NA,"C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NN=CC4=CC=C(C=C4)Cl","UOIFDDNRANCICK-OXUBWTJQSA-N",9572449,NA,"PDBC13479","716339","Present",NA,NA
+"13480","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide",NA,"COC1=C(C=CC(=C1)C=NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3)O","DFDWLVMBHSLYFX-OXUBWTJQSA-N",135436257,NA,"PDBC13480","716341","Present",NA,NA
+"13481","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-(propanoylamino)phenyl]benzamide",NA,"CCC(=O)NC1=CC(=CC=C1)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3","SOYQFJLSNPZCJD-UHFFFAOYSA-N",402422,NA,"PDBC13481","716353","Present",NA,NA
+"13482","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide",NA,"C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NN4C(C(C4=O)Cl)C5=CC=C(C=C5)Cl","PPQQKFLWAGERRF-UHFFFAOYSA-N",402412,NA,"PDBC13482","716343","Present",NA,NA
+"13483","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]benzamide",NA,"CSC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=CC=CC=C5N4)Cl","MZEOSUJBQDYSCH-UHFFFAOYSA-N",402414,NA,"PDBC13483","716345","Present",NA,NA
+"13484","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[3-chloro-2-[4-(dimethylamino)phenyl]-4-oxoazetidin-1-yl]benzamide",NA,"CN(C)C1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=CC=CC=C5N4)Cl","XRPKKOWZHZOYHW-UHFFFAOYSA-N",402413,NA,"PDBC13484","716344","Present",NA,NA
+"13485","2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzohydrazide",NA,"C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)NN","MTURNYINKAJCQZ-UHFFFAOYSA-N",402423,NA,"PDBC13485","716354","Present",NA,NA
+"13486","2-(1H-Benzimidazol-2-ylamino)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-ylamino)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol",NA,"CC1=C(C(=O)NC(=N1)NC2=NC3=CC=CC=C3N2)CCO","KLIRUXAEXSHDOM-UHFFFAOYSA-N",135409211,NA,"PDBC13486","666288","Present",NA,NA
+"13487","2-(1H-Benzimidazol-2-ylamino)-5-benzyl-4-hydroxy-1H-pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-ylamino)-5-benzyl-4-hydroxy-1H-pyrimidin-6-one",NA,"C1=CC=C(C=C1)CC2=C(N=C(NC2=O)NC3=NC4=CC=CC=C4N3)O","UUXDVZOIILNGKS-UHFFFAOYSA-N",387153,NA,"PDBC13487","680667","Present",NA,NA
+"13488","2-(1H-Benzimidazol-2-ylamino)-5-butyl-4-hydroxy-1H-pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1h-Benzimidazol-2-ylamino)-5-butyl-6-hydroxy-3h-pyrimidin-4-one",NA,"CCCCC1=C(N=C(NC1=O)NC2=NC3=CC=CC=C3N2)O","XTVNRLRLTDZPDD-UHFFFAOYSA-N",397344,NA,"PDBC13488","704954","Present",NA,NA
+"13489","2-(1H-Benzimidazol-2-ylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-ylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ol",NA,"C1CC2=C(C1)N=C(NC2=O)NC3=NC4=CC=CC=C4N3","GAXCVJAPZXGUEB-UHFFFAOYSA-N",135409210,NA,"PDBC13489","666287","Present",NA,NA
+"13490","2-(1H-Benzimidazol-2-ylmethyl)-1,3-thiazol-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-ylmethyl)-1,3-thiazol-4(5H)-one",NA,"C1C(=O)N=C(S1)CC2=NC3=CC=CC=C3N2","IJSXLHIMKVVISB-UHFFFAOYSA-N",365514,NA,"PDBC13490","633194","Present",NA,NA
+"13491","2-(1H-Benzimidazol-2-ylsulfanyl)-N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzimidazol-2-ylsulfanyl)-N-[4-(1,3-benzothiazol-2-yl)-3-chlorophenyl]acetamide",NA,"C1=CC=C2C(=C1)NC(=N2)SCC(=O)NC3=CC(=C(C=C3)C4=NC5=CC=CC=C5S4)Cl","LSNDZZLBLKNDEI-UHFFFAOYSA-N",54613168,NA,"PDBC13491","750842","Present",NA,NA
+"13492","2-(1H-Benzoimidazol-2-ylamino)-6-hydroxy-5-phenyl-3H-pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Benzoimidazol-2-ylamino)-6-hydroxy-5-phenyl-3H-pyrimidin-4-one",NA,"C1=CC=C(C=C1)C2=C(N=C(NC2=O)NC3=NC4=CC=CC=C4N3)O","MPKAHQSTFDCVAM-UHFFFAOYSA-N",380611,NA,"PDBC13492","666286","Present",NA,NA
+"13493","2-(1H-Imidazol-2-ylmethyl)-5-(1H-imidazol-5-ylmethyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-imidazol-2-ylmethyl)-4-(1H-imidazol-4-ylmethyl)-1H...",NA,"C1=CN=C(N1)CC2=NC=C(N2)CC3=CN=CN3","STVWNEVGTHFIJG-UHFFFAOYSA-N",370230,NA,"PDBC13493","643000","Present",NA,NA
+"13494","2-(1H-Indol-1-yl)-1-(1H-indol-3-yl)-2-oxoethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Indol-1-yl)-1-(1H-indol-3-yl)-2-oxoethanone",NA,"C1=CC=C2C(=C1)C=CN2C(=O)C(=O)C3=CNC4=CC=CC=C43","JGNTXIBLSQHKDW-UHFFFAOYSA-N",378606,NA,"PDBC13494","661246","Present",NA,NA
+"13495","2-(1H-Indol-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Indol-3-yl)-3-(2-methoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC=CC=C1N2C(SCC2=O)C3=CNC4=CC=CC=C43","HMJDMMKJDLVKPP-UHFFFAOYSA-N",375560,NA,"PDBC13495","655348","Present",NA,NA
+"13496","2-(1H-Indol-3-yl)-3-(2-nitrophenyl)thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Indol-3-yl)-3-(2-nitrophenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=CC=CC=C4[N+](=O)[O-]","JNKVBTPMMLACOG-UHFFFAOYSA-N",375563,NA,"PDBC13496","655351","Present",NA,NA
+"13497","2-(1H-Indol-3-yl)-3-(3-methoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Indol-3-yl)-3-(3-methoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC=CC(=C1)N2C(SCC2=O)C3=CNC4=CC=CC=C43","GZYJMFQJMTXZEY-UHFFFAOYSA-N",375561,NA,"PDBC13497","655349","Present",NA,NA
+"13498","2-(1H-Indol-3-yl)-3-(3-nitrophenyl)thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Indol-3-yl)-3-(3-nitrophenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=CC(=CC=C4)[N+](=O)[O-]","HPHIAJHRALEFTL-UHFFFAOYSA-N",375564,NA,"PDBC13498","655352","Present",NA,NA
+"13499","2-(1H-Indol-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Indol-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC=C(C=C1)N2C(SCC2=O)C3=CNC4=CC=CC=C43","VDNPCNOBJHJIAX-UHFFFAOYSA-N",375562,NA,"PDBC13499","655350","Present",NA,NA
+"13500","2-(1H-Indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Indol-3-yl)-4,4-dimethyl-3H-carbazol-4a-ol",NA,"CC1(CC(=CC2=NC3=CC=CC=C3C21O)C4=CNC5=CC=CC=C54)C","ZJSCSYPLASWQES-UHFFFAOYSA-N",362912,NA,"PDBC13500","627387","Present",NA,NA
+"13501","2-(1H-Indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[3,2-c]...",NA,"C1=CC=C2C(=C1)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","RPLHIBNNBAPKAW-UHFFFAOYSA-N",155810932,NA,"PDBC13501","801584","Present",NA,NA
+"13502","2-(1H-Indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole",NA,"COC1=CC2=C(C=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=CC=CC=C54","RLPBSUWTWVVFHI-UHFFFAOYSA-N",397548,NA,"PDBC13502","705868","Present",NA,NA
+"13503","2-(1H-Indol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[6-(thiophen-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl...",NA,"C1=CC=C2C(=C1)C(=CN2)C3=NN4C=C(N=C4S3)C5=CC=CS5","XZUQRQUVHLEGRF-UHFFFAOYSA-N",155806219,NA,"PDBC13503","801605","Present",NA,NA
+"13504","2-(1H-Indol-3-yl)-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-indol-3-yl)-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)CC4=CNC5=CC=CC=C54","DRTLIBIRMGIUCE-MGBUXPJDSA-N",118245694,NA,"PDBC13504","783239","Present",NA,NA
+"13505","2-(1H-Indole-3-yl)-3-phenylmaleimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767208",NA,"C1=CC=C(C=C1)C2=C(C(=O)NC2=O)C3=CNC4=CC=CC=C43","HVQJGNALTWNDMX-UHFFFAOYSA-N",15422868,NA,"PDBC13505","767208","Present",NA,NA
+"13506","2-(1H-Indole-3-yl)-4-(6-bromo-1H-indole-3-yl)thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-bromo-1H-indol-3-yl)-2-(1H-indol-3-yl)thiazole",NA,"C1=CC=C2C(=C1)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=CC(=C5)Br","XFJMHWPYNSHESR-UHFFFAOYSA-N",396209,NA,"PDBC13506","701761","Present",NA,NA
+"13507","2-(1H-Purin-6-ylamino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9AD2B660I3",NA,"C1=NC2=C(N1)C(=NC=N2)NCCO","QFSMBOBIZVSDLV-UHFFFAOYSA-N",20684,NA,"PDBC13507","11590","Present",NA,NA
+"13508","2-(1H-Pyrazol-1-yl)-1,4-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-Pyrazol-1-yl)-1,4-benzenediol",NA,"C1=CN(N=C1)C2=C(C=CC(=C2)O)O","RZPZTDUSASFJRF-UHFFFAOYSA-N",371596,NA,"PDBC13508","645990","Present",NA,NA
+"13509","2-(1H-[1]Benzothieno[2,3-d]imidazol-1-yl)-N,N-dimethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-[1]Benzothieno[2,3-d]imidazol-1-yl)-N,N-dimethylethanamine",NA,"CN(C)CCN1C=NC2=C1C3=CC=CC=C3S2","BHWUXLNSSKNOPO-UHFFFAOYSA-N",370118,NA,"PDBC13509","642709","Present",NA,NA
+"13510","2-(1H-indol-3-yl)ethyl-bis(p-anisyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1H-indol-3-yl)ethyl-bis(p-anisyl)amine",NA,"COC1=CC=C(C=C1)CN(CCC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)OC","WJVMMRROWJDULS-UHFFFAOYSA-N",394104,NA,"PDBC13510","697241","Present",NA,NA
+"13511","2-(2',3'-Dideoxy-beta-D-glycero-pent-2-enofuranosyl)-thiazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2',3'-Dideoxy-.beta.-D-glycero-pent-2-enofuranosyl)-t...",NA,"C1=CC(OC1CO)C2=NC(=CS2)C(=O)N","HAUJIUYEOGTBMH-UHFFFAOYSA-N",363831,NA,"PDBC13511","629049","Present",NA,NA
+"13512","2-(2',4',5'-Trihydroxyphenyl)-3,5,7-trihydroxy-6-C-glucopyranosyloxy-4H-1-benzopyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2',4',5'-Trihydroxyphenyl)-3,5,7-trihydroxy-6-C-gluco...",NA,"C1=C(C(=CC(=C1O)O)O)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)O","YHQOEBIHPWOMKE-UHFFFAOYSA-N",5470006,NA,"PDBC13512","695597","Present",NA,NA
+"13513","2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"C1=CC2=NSN=C2C(=C1)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","AGPHTKYBSWZMMQ-UHFFFAOYSA-N",9572193,NA,"PDBC13513","707036","Present",NA,NA
+"13514","2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,1,3-Benzothiadiazol-4-ylsulfonyl)-1-(4-chlorophenyl)guanidine",NA,"C1=CC2=NSN=C2C(=C1)S(=O)(=O)N=C(N)NC3=CC=C(C=C3)Cl","FXJWHAYOWPXRAU-UHFFFAOYSA-N",9572213,NA,"PDBC13514","707404","Present",NA,NA
+"13515","2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-3,4-dihydro-1(2H)-naphthalenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-3,4-dihydro-1(2H)-naphthalenone",NA,"C1CC2=CC=CC=C2C(=O)C1C(C(F)(F)F)(C(F)(F)F)O","SUPUNQIGTWFZBO-UHFFFAOYSA-N",379444,NA,"PDBC13515","663992","Present",NA,NA
+"13516","2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclopentanone",NA,"C1CC(C(=O)C1)C(C(F)(F)F)(C(F)(F)F)O","WDPFJWBJPKXWDD-UHFFFAOYSA-N",379518,NA,"PDBC13516","664176","Present",NA,NA
+"13517","2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)heptanal hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)heptanal hydrazone",NA,"CCCCCC(C=NN)C(C(F)(F)F)(C(F)(F)F)O","WAESTWWBMWLUAV-NGYBGAFCSA-N",9555942,NA,"PDBC13517","659216","Present",NA,NA
+"13518","2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)heptanal phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)heptanal phenylhydrazone",NA,"CCCCCC(C=NNC1=CC=CC=C1)C(C(F)(F)F)(C(F)(F)F)O","BITMRBQVPNOJGA-FOKLQQMPSA-N",9571444,NA,"PDBC13518","664335","Present",NA,NA
+"13519","2-(2,2,2-Trifluoroethoxy)-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2,2-Trifluoroethoxy)-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide",NA,"C1=CC=C2C(=C1)C(=O)C(OP(=O)(O2)OCC(F)(F)F)(C(F)(F)F)C(F)(F)F","DHHJASLDCULVPB-UHFFFAOYSA-N",374925,NA,"PDBC13519","653510","Present",NA,NA
+"13520","2-(2,2,6,6-Tetramethyl-4-piperidyl)-4,5-dihydrooxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2,6,6-Tetramethyl-4-piperidyl)-4,5-dihydrooxazole",NA,"CC1(CC(CC(N1)(C)C)C2=NCCO2)C","SDLOMDKOIQRKDS-UHFFFAOYSA-N",380203,NA,"PDBC13520","665670","Present",NA,NA
+"13521","2-(2,2-Di(1H-indol-3-yl)ethyl)-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Di(1H-indol-3-yl)ethyl)-N,N-dimethylaniline",NA,"CN(C)C1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","OFALCFCSOABDDU-UHFFFAOYSA-N",364674,NA,"PDBC13521","631307","Present",NA,NA
+"13522","2-(2,2-Dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dibenzyl-5-oxo-1,3,2-oxazastannolidin-3-yl)acetic acid",NA,NA,NA,NA,NA,"PDBC13522","628570","Present",NA,NA
+"13523","2-(2,2-Dibutyl-1,3,2-dioxastanninan-5-yl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dibutyl-1,3,2-dioxastanninan-5-yl)pyridine",NA,"CCCC[Sn]1(OCC(CO1)C2=CC=CC=N2)CCCC","KVBXIPIFNYDYIO-UHFFFAOYSA-N",16683170,NA,"PDBC13523","633504","Present",NA,NA
+"13524","2-(2,2-Dibutyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dibutyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide",NA,NA,NA,NA,NA,"PDBC13524","628568","Present",NA,NA
+"13525","2-(2,2-Dibutyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dibutyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol",NA,NA,NA,NA,NA,"PDBC13525","628577","Present",NA,NA
+"13526","2-(2,2-Dibutyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dibutyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid",NA,NA,NA,NA,NA,"PDBC13526","628574","Present",NA,NA
+"13527","2-(2,2-Diethoxyethylselanyl)-1,1-diethoxy-ethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethane, 2,2'-selenobis[1,1-diethoxy-",NA,"CCOC(C[Se]CC(OCC)OCC)OCC","SFSJOFBVBORGMJ-UHFFFAOYSA-N",379613,NA,"PDBC13527","664319","Present",NA,NA
+"13528","2-(2,2-Dimethoxyethyl)-N-(2-iodophenyl)-4-((triisopropylsilyl)oxy)-2-butenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethoxyethyl)-N-(2-iodophenyl)-4-((triisopropylsilyl)oxy)-2-butenamide",NA,"CC(C)[Si](C(C)C)(C(C)C)OCC=C(CC(OC)OC)C(=O)NC1=CC=CC=C1I","UODVZPJYNFTMQO-UYRXBGFRSA-N",5469952,NA,"PDBC13528","694684","Present",NA,NA
+"13529","2-(2,2-Dimethyl-3-phenylpropyl)-1,4-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethyl-3-phenylpropyl)-1,4-benzenediol",NA,"CC(C)(CC1=CC=CC=C1)CC2=C(C=CC(=C2)O)O","RGMYHDLDEJKZFA-UHFFFAOYSA-N",384081,NA,"PDBC13529","673303","Present",NA,NA
+"13530","2-(2,2-Dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)prop-2-enenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl)prop-2-enenitrile",NA,"CC1(OC2COC(C2O1)C(=C)C#N)C","CDJJMLMUSYDRQL-UHFFFAOYSA-N",357388,NA,"PDBC13530","616138","Present",NA,NA
+"13531","2-(2,2-Dimethyl-4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)-N-(3-(hydroxy(oxido)amino)phenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethyl-4-oxo-3,10-dihydro-1H-phenothiazin-3-yl)-N-(3-nitrophenyl)-2-oxoacetamide",NA,"CC1(CC2=C(C(=O)C1C(=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])SC4=CC=CC=C4N2)C","UAYKZFUJHZESKQ-UHFFFAOYSA-N",373362,NA,"PDBC13531","649577","Present",NA,NA
+"13532","2-(2,2-Dimethyl-4-oxo-3,5a,9a,10-tetrahydro-1H-phenothiazin-3-yl)-2-oxo-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethyl-4-oxo-3,5a,9a,10-tetrahydro-1H-phenothiazin-3-yl)-2-oxo-acetamide",NA,"CC1(CC2=C(C(=O)C1C(=O)C(=O)N)SC3C=CC=CC3N2)C","KHDAVCNMONWVAD-UHFFFAOYSA-N",373460,NA,"PDBC13532","649817","Present",NA,NA
+"13533","2-(2,2-Dimethyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol",NA,NA,NA,NA,NA,"PDBC13533","628579","Present",NA,NA
+"13534","2-(2,2-Dimethylpropanoyl)-2,3-dihydro-1,4-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethylpropanoyl)-2,3-dihydro-1,4-naphthalenedione",NA,"CC(C)(C)C(=O)C1CC(=O)C2=CC=CC=C2C1=O","COUKTGFAMVFIAX-UHFFFAOYSA-N",367466,NA,"PDBC13534","637195","Present",NA,NA
+"13535","2-(2,2-Dimethylpropanoyl)-4,4-dimethyl-3-oxopentanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dimethylpropanoyl)-4,4-dimethyl-3-oxopentanenitrile",NA,"CC(C)(C)C(=O)C(C#N)C(=O)C(C)(C)C","ZYZNSVWOHMGKJP-UHFFFAOYSA-N",389075,NA,"PDBC13535","684725","Present",NA,NA
+"13536","2-(2,2-Dimethylpropyl)benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Neopentyl-1,4-benzenediol",NA,"CC(C)(C)CC1=C(C=CC(=C1)O)O","IZRKOTZTHHSHEF-UHFFFAOYSA-N",384080,NA,"PDBC13536","673302","Present",NA,NA
+"13537","2-(2,2-Dioctyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dioctyl-4,8-dioxo-1,3,6,2-dioxazastannocan-6-yl)acetamide",NA,NA,NA,NA,NA,"PDBC13537","628569","Present",NA,NA
+"13538","2-(2,2-Dioctyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Dioctyl-8-oxo-1,3,6,2-oxadiazastannocan-3-yl)acetic acid",NA,NA,NA,NA,NA,"PDBC13538","628575","Present",NA,NA
+"13539","2-(2,2-Diphenyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Diphenyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol",NA,NA,NA,NA,NA,"PDBC13539","628578","Present",NA,NA
+"13540","2-(2,2-Ditert-butyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,2-Ditert-butyl-5,6-dihydro-4H-1,3,6,2-benzoxadiazastannocin-3-yl)phenol",NA,NA,NA,NA,NA,"PDBC13540","628565","Present",NA,NA
+"13541","2-(2,3,3-Trichloro-1-nitro-allylidene)-imidazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C6H6Cl3N3O2",NA,"C1CNC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1","AFZQRVIAXVGDLI-UHFFFAOYSA-N",379915,NA,"PDBC13541","665107","Present",NA,NA
+"13542","2-(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethoxycarbonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethoxycarbonyl)benzoic acid",NA,"C1CCN2CCCC(C2C1)COC(=O)C3=CC=CC=C3C(=O)O","NNMQFPYZEFVSFA-UHFFFAOYSA-N",390682,NA,"PDBC13542","688317","Present",NA,NA
+"13543","2-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)benzoic acid",NA,"C1CC(C2=C(C1)C3=CC=CC=C3N2)C4=CC=CC=C4C(=O)O","ZRWUYGOGEWMYLT-UHFFFAOYSA-N",396624,NA,"PDBC13543","703123","Present",NA,NA
+"13544","2-(2,3,4-Trimethoxyphenyl)-2-azaspiro[4.5]decane-1,3,4-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3,4-Trimethoxyphenyl)-2-azaspiro[4.5]decane-1,3,4-trione",NA,"COC1=C(C(=C(C=C1)N2C(=O)C(=O)C3(C2=O)CCCCC3)OC)OC","YUEVBOGLUBDFFN-UHFFFAOYSA-N",379432,NA,"PDBC13544","663977","Present",NA,NA
+"13545","2-(2,3,5-Trimethoxyphenyl)ethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC53069",NA,"COC1=CC(=C(C(=C1)OC)OC)CCN.Cl","IYWGZRLKHDWUAC-UHFFFAOYSA-N",54601428,NA,"PDBC13545","53069","Present",NA,NA
+"13546","2-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1,3-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1,3-propanediol",NA,"C1C(OC2=CC=CC=C2O1)CC(CO)CO","LFRZXMPZJAYFCG-UHFFFAOYSA-N",379216,NA,"PDBC13546","663632","Present",NA,NA
+"13547","2-(2,3-Dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dihydro-1H-inden-1-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide",NA,"C1CC2=CC=CC=C2C1SCC(=O)NN=CC3=CC=CC=C3O","RCABVSNSNNHAIS-YBFXNURJSA-N",135452596,NA,"PDBC13547","329063","Present",NA,NA
+"13548","2-(2,3-Dihydro-1H-inden-2-ylmethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dihydro-1H-inden-2-ylmethyl)benzoic acid",NA,"C1C(CC2=CC=CC=C21)CC3=CC=CC=C3C(=O)O","MRAPTYHAGZHFFH-UHFFFAOYSA-N",385699,NA,"PDBC13548","677045","Present",NA,NA
+"13549","2-(2,3-Dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylic acid",NA,"C1CC2=C(C1)C=C(C=C2)CC3(CC4=C(C3)C=C5CCCC5=C4)C(=O)O","GXPYKOVBSSZAEE-UHFFFAOYSA-N",384722,NA,"PDBC13549","674958","Present",NA,NA
+"13550","2-(2,3-Dihydro-1H-inden-5-ylmethyl)-2-indanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-2-indanecarboxylic acid",NA,"C1CC2=C(C1)C=C(C=C2)CC3(CC4=CC=CC=C4C3)C(=O)O","DLISNRZGIRQDLU-UHFFFAOYSA-N",384733,NA,"PDBC13550","674968","Present",NA,NA
+"13551","2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,5,6,7-tetrahydro-s-indacen-1(2H)-one",NA,"C1CC2=C(C1)C=C(C=C2)CC3CC4=C(C3=O)C=C5CCCC5=C4","FYJNCYGUILDRIW-UHFFFAOYSA-N",384707,NA,"PDBC13551","674943","Present",NA,NA
+"13552","2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,6,7,8-tetrahydro-as-indacen-1(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dihydro-1H-inden-5-ylmethyl)-3,6,7,8-tetrahydro-as-indacen-1(2H)-one",NA,"C1CC2=C(C1)C=C(C=C2)CC3CC4=C(C3=O)C5=C(CCC5)C=C4","VYQUWDRIXTYVHL-UHFFFAOYSA-N",384708,NA,"PDBC13552","674944","Present",NA,NA
+"13553","2-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dihydroimidazo[2,1-b][1,3]thiazol-6-yl)benzene-1,4-diol",NA,"C1CSC2=NC(=CN21)C3=C(C=CC(=C3)O)O","CBEZIIZBJCVGML-UHFFFAOYSA-N",10585764,NA,"PDBC13553","732197","Present",NA,NA
+"13554","2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophene-3,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dihydrothieno[3,4-b][1,4]dioxin-5-yl)thiophene-3,4-diamine",NA,"C1COC2=C(SC=C2O1)C3=C(C(=CS3)N)N","QUAHCXUSSSJFMY-UHFFFAOYSA-N",400562,NA,"PDBC13554","712684","Present",NA,NA
+"13555","2-(2,3-Dihydroxyphenoxy)-1,3,5-benzenetriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dihydroxyphenoxy)-1,3,5-benzenetriol",NA,"C1=CC(=C(C(=C1)OC2=C(C=C(C=C2O)O)O)O)O","OENHXUYXLFGBFT-UHFFFAOYSA-N",364695,NA,"PDBC13555","631347","Present",NA,NA
+"13556","2-(2,3-Dimethoxy-12-oxoindolo[2,1-b]quinazolin-6-ylidene)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dimethoxy-12-oxo-indolo[2,1-b]quinazolin-6-ylidene)propanedinitrile",NA,"COC1=C(C=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=C(C#N)C#N)C3=N2)OC","ULDFXZSGYYPORJ-UHFFFAOYSA-N",396707,NA,"PDBC13556","703316","Present",NA,NA
+"13557","2-(2,3-Dimethoxyphenoxy)-1,3,5-trimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dimethoxyphenoxy)-1,3,5-trimethoxybenzene",NA,"COC1=C(C(=CC=C1)OC2=C(C=C(C=C2OC)OC)OC)OC","QYEODDZVANSHEM-UHFFFAOYSA-N",364696,NA,"PDBC13557","631348","Present",NA,NA
+"13558","2-(2,3-Dimethoxyphenyl)-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZJESQUBQQBRCGG-UHFFFAOYSA-N",NA,"COC1=CC=CC(=C1OC)C2=NC3=CC=CC=C3C(=O)N2","ZJESQUBQQBRCGG-UHFFFAOYSA-N",135489849,NA,"PDBC13558","684365","Present",NA,NA
+"13559","2-(2,3-Dimethoxyphenyl)-4-isopropyl-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dimethoxyphenyl)-4-isopropyl-4,5-dihydro-1,3-oxazole",NA,"CC(C)C1COC(=N1)C2=C(C(=CC=C2)OC)OC","VXGZYVDYWWIWLL-UHFFFAOYSA-N",370743,NA,"PDBC13559","644266","Present",NA,NA
+"13560","2-(2,4,6-Tribromophenoxy)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4,6-Tribromophenoxy)acetamide",NA,"C1=C(C=C(C(=C1Br)OCC(=O)N)Br)Br","ZDDUMWPZCUGDOR-UHFFFAOYSA-N",372835,NA,"PDBC13560","648493","Present",NA,NA
+"13561","2-(2,4-Bis(methoxymethoxy)phenyl)-1-(2-hydroxy-4-(methoxymethoxy)phenyl)-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Bis(methoxymethoxy)phenyl)-1-(2-hydroxy-4-(methoxymethoxy)phenyl)-1-propanone",NA,"CC(C1=C(C=C(C=C1)OCOC)OCOC)C(=O)C2=C(C=C(C=C2)OCOC)O","APSQNWVYLGEZDE-UHFFFAOYSA-N",377464,NA,"PDBC13561","658921","Present",NA,NA
+"13562","2-(2,4-Dibromophenoxy)-N,N-diethylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dibromophenoxy)-N,N-diethylacetamide",NA,"CCN(CC)C(=O)COC1=C(C=C(C=C1)Br)Br","SHKUAQWZPCXCBP-UHFFFAOYSA-N",360020,NA,"PDBC13562","621756","Present",NA,NA
+"13563","2-(2,4-Dibromophenoxy)-N-ethylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dibromophenoxy)-N-ethylacetamide",NA,"CCNC(=O)COC1=C(C=C(C=C1)Br)Br","AOWQNZIOCXXYKZ-UHFFFAOYSA-N",360019,NA,"PDBC13563","621755","Present",NA,NA
+"13564","2-(2,4-Dibromophenoxy)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS002569",NA,"C1=CC(=C(C=C1Br)Br)OCC(=O)N","FYPOAWJNUWQTCA-UHFFFAOYSA-N",360014,NA,"PDBC13564","621750","Present",NA,NA
+"13565","2-(2,4-Dichloroanilino)-N'-(4-fluorophenyl)sulfonyl nicotino hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-dichloroanilino)-N'-(4-fluorophenyl)sulfonyl nico...",NA,"C1=CC(=C(N=C1)NC2=C(C=C(C=C2)Cl)Cl)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)F","XKMWCAVMZVIBGK-UHFFFAOYSA-N",24205765,NA,"PDBC13565","736599","Present",NA,NA
+"13566","2-(2,4-Dichloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,4-Dichlorophenyl)amino]-N-(4-oxo-2-phenylquinazoli...",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=C(C=C(C=C4)Cl)Cl","LLUBWJPQTYMTBM-UHFFFAOYSA-N",376438,NA,"PDBC13566","657352","Present",NA,NA
+"13567","2-(2,4-Dichlorobenzoyl)-7-hydroxy-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorobenzoyl)-7-hydroxy-chromen-4-one",NA,"C1=CC2=C(C=C1O)OC(=CC2=O)C(=O)C3=C(C=C(C=C3)Cl)Cl","CANJQZFRAWCZJH-UHFFFAOYSA-N",5465338,NA,"PDBC13567","646381","Present",NA,NA
+"13568","2-(2,4-Dichlorobenzyl)-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorobenzyl)-1,3-benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)CC3=C(C=C(C=C3)Cl)Cl","HFLUGKGRRIVSGJ-UHFFFAOYSA-N",364786,NA,"PDBC13568","631545","Present",NA,NA
+"13569","2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carbonitrile",NA,"CC1=CC2=C(N(N=C2C(=C1C)C#N)CC3=C(C=C(C=C3)Cl)Cl)C","MZZVYCIUYSJEMS-UHFFFAOYSA-N",367590,NA,"PDBC13569","637422","Present",NA,NA
+"13570","2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carboxylic acid",NA,"CC1=CC2=C(N(N=C2C(=C1C)C(=O)O)CC3=C(C=C(C=C3)Cl)Cl)C","MLULTROHKBGYNK-UHFFFAOYSA-N",367592,NA,"PDBC13570","637424","Present",NA,NA
+"13571","2-(2,4-Dichlorobenzyl)glutarimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorobenzyl)glutarimide",NA,"C1CC(=O)NC(=O)C1CC2=C(C=C(C=C2)Cl)Cl","MOXJZUBVRXNENV-UHFFFAOYSA-N",356409,NA,"PDBC13571","612071","Present",NA,NA
+"13572","2-(2,4-Dichlorophenoxy)-N-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorophenoxy)-N-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)propanamide",NA,"CC(C(=O)NN1C(=O)CC(=O)NC1=S)OC2=C(C=C(C=C2)Cl)Cl","HMTGSMRLXBSDSV-UHFFFAOYSA-N",5470730,NA,"PDBC13572","704802","Present",NA,NA
+"13573","2-(2,4-Dichlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide",NA,"CC(C(=O)NN1C(=O)CC(=O)N(C1=S)C2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl","CFEFNWUCQQUWEK-UHFFFAOYSA-N",397268,NA,"PDBC13573","704796","Present",NA,NA
+"13574","2-(2,4-Dichlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide",NA,"CC(C(=O)NN1C(SCC1=O)C2=CC=CC=C2)OC3=C(C=C(C=C3)Cl)Cl","DEFIUIMCPXKHQD-UHFFFAOYSA-N",397260,NA,"PDBC13574","704788","Present",NA,NA
+"13575","2-(2,4-Dichlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide",NA,"CC(C(=O)NN1C(SCC1=O)C2=CC=C(C=C2)OC)OC3=C(C=C(C=C3)Cl)Cl","PILBBIDXODAQND-UHFFFAOYSA-N",397261,NA,"PDBC13575","704789","Present",NA,NA
+"13576","2-(2,4-Dichlorophenoxy)-N-ethylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorophenoxy)-N-ethylacetamide",NA,"CCNC(=O)COC1=C(C=C(C=C1)Cl)Cl","WSSDNRHQSUZZFN-UHFFFAOYSA-N",360012,NA,"PDBC13576","621748","Present",NA,NA
+"13577","2-(2,4-Dichlorophenoxy)benzo[f][1,3,2]benzodioxaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorophenoxy)benzo[f][1,3,2]benzodioxaphosphole 2-oxide",NA,"C1=CC=C2C=C3C(=CC2=C1)OP(=O)(O3)OC4=C(C=C(C=C4)Cl)Cl","VBRVCONQQWHIKQ-UHFFFAOYSA-N",360397,NA,"PDBC13577","622462","Present",NA,NA
+"13578","2-(2,4-Dichlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dichlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=C(C=C(C=C3)Cl)Cl","FQCMFLQFGWYIGL-UHFFFAOYSA-N",362318,NA,"PDBC13578","625954","Present",NA,NA
+"13579","2-(2,4-Dichlorophenyl)-N,N-dimethylethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639397",NA,"CN(C)CCC1=C(C=C(C=C1)Cl)Cl.Cl","LQOWQGPPVZLJBS-UHFFFAOYSA-N",368402,NA,"PDBC13579","639397","Present",NA,NA
+"13580","2-(2,4-Dichlorophenyl)-N-(furan-2-ylmethyl)quinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(2-furylmethyl)-2-(2,4-dichlorophenyl)-4-quinazolinam...",NA,"C1=CC=C2C(=C1)C(=NC(=N2)C3=C(C=C(C=C3)Cl)Cl)NCC4=CC=CO4","SYISKIXHFXNTKX-UHFFFAOYSA-N",1186904,NA,"PDBC13580","727897","Present",NA,NA
+"13581","2-(2,4-Difluorophenyl)-2,3-di(1H-1,2,4-triazol-1-yl)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Difluorophenyl)-2,3-di(1H-1,2,4-triazol-1-yl)-1-propanol",NA,"C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CO)N3C=NC=N3","XPMKAGSLKYBDTO-UHFFFAOYSA-N",380168,NA,"PDBC13581","665606","Present",NA,NA
+"13582","2-(2,4-Dimethoxyphenyl)-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GLBLQJORMCSORH-UHFFFAOYSA-N",NA,"COC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2)OC","GLBLQJORMCSORH-UHFFFAOYSA-N",135484662,NA,"PDBC13582","684366","Present",NA,NA
+"13583","2-(2,4-Dimethoxyphenyl)-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dimethoxyphenyl)quinolin-4(1H)-one",NA,"COC1=CC(=C(C=C1)C2=CC(=O)C3=CC=CC=C3N2)OC","QWXAGJWYDYRTSP-UHFFFAOYSA-N",375361,NA,"PDBC13583","654985","Present",NA,NA
+"13584","2-(2,4-Dimethoxyphenyl)-6-methyl-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dimethoxyphenyl)-6-methyl-1,3-benzoxazole",NA,"CC1=CC2=C(C=C1)N=C(O2)C3=C(C=C(C=C3)OC)OC","QZRDPKKWEHNWFZ-UHFFFAOYSA-N",399832,NA,"PDBC13584","710968","Present",NA,NA
+"13585","2-(2,4-Dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-...",NA,"COC1=CC(=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CN(N=N3)CC4=CC(=CC=C4)OC5=CC=CC=C5)OC","IDHWRMSNKVNNPH-UHFFFAOYSA-N",90681003,NA,"PDBC13585","758370","Present",NA,NA
+"13586","2-(2,4-Dimethylanilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-Dimethylanilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,"CC1=CC(=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O)C","LYWOAEKZOHLZQE-UHFFFAOYSA-N",362271,NA,"PDBC13586","625882","Present",NA,NA
+"13587","2-(2,4-Dimethylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinazolinone, 2-(2,4-dimethylphenyl)-2,3-dihydro-",NA,"CC1=CC(=C(C=C1)C2NC3=CC=CC=C3C(=O)N2)C","FVVLOAVPINWXMY-UHFFFAOYSA-N",292555,NA,"PDBC13587","158382","Present",NA,NA
+"13588","2-(2,4-Dinitroanilino)-3-hydroxy-2-methylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-60692",NA,"CC(CO)(C(=O)O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","NLIQVESFXLKBRF-UHFFFAOYSA-N",262559,NA,"PDBC13588","96399","Present",NA,NA
+"13589","2-(2,4-Dinitrophenyl)isoquinolinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-dinitrophenyl)isoquinolinium chloride",NA,"C1=CC=C2C=[N+](C=CC2=C1)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]","XKODWENIEJBEMB-UHFFFAOYSA-M",10735291,NA,"PDBC13589","338048","Present",NA,NA
+"13590","2-(2,4-Dinitrophenylthio)-6-methylpyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2-[(2,4-dinitrophenyl)thio]-4-(1H)-pyrimidinone",NA,"CC1=CC(=O)NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","MQRSKNRMJCUQTI-UHFFFAOYSA-N",135454603,NA,"PDBC13590","697716","Present",NA,NA
+"13591","2-(2,5-Bis(4-methoxyphenyl)-4-(2-pyridinyl)-1H-pyrrol-3-yl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Bis(4-methoxyphenyl)-4-(2-pyridinyl)-1H-pyrrol-3-yl)pyridine",NA,"COC1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=C(C=C3)OC)C4=CC=CC=N4)C5=CC=CC=N5","WNLPGHXMHVQKKA-UHFFFAOYSA-N",380633,NA,"PDBC13591","666308","Present",NA,NA
+"13592","2-(2,5-Dichloro-phenyl)-5-(4'-methoxy phenyl)-1H-[1,8] naphthyridine-4-one.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4-dichloro - 5- fluoro - phenyl ) - 7 - (2,5 - dich...",NA,"COC1=CC=C(C=C1)C2=CC(=NC3=C2C(=O)C=C(N3)C4=CC(=C(C=C4Cl)Cl)F)C5=C(C=CC(=C5)Cl)Cl","NXHFWUMZCCJNNY-UHFFFAOYSA-N",24204731,NA,"PDBC13592","732566","Present",NA,NA
+"13593","2-(2,5-Dichloro-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-d]thiazole-4,9-dione, 2-[(2,5-dichlorophenyl...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=C(C=CC(=C4)Cl)Cl","FNCOTTXCSUMORN-UHFFFAOYSA-N",377059,NA,"PDBC13593","658274","Present",NA,NA
+"13594","2-(2,5-Dihydroxybenzoyl)-3-methoxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Dihydroxybenzoyl)-3-methoxybenzaldehyde",NA,"COC1=CC=CC(=C1C(=O)C2=C(C=CC(=C2)O)O)C=O","CDSSEUULHBJPJA-UHFFFAOYSA-N",358264,NA,"PDBC13594","618207","Present",NA,NA
+"13595","2-(2,5-Dihydroxyphenyl)-N-hydroxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Dihydroxyphenyl)-N-hydroxyacetamide",NA,"C1=CC(=C(C=C1O)CC(=O)NO)O","NUTLLMUQDXDDPY-UHFFFAOYSA-N",24205137,NA,"PDBC13595","734455","Present",NA,NA
+"13596","2-(2,5-Dihydroxyphenyl)vinyl(methyl)formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2-(2,5-Dihydroxyphenyl)vinyl]-N-methyl-formamide",NA,"CN(C=CC1=C(C=CC(=C1)O)O)C=O","MTTXFSXSYRJBBU-SNAWJCMRSA-N",5916696,NA,"PDBC13596","625300","Present",NA,NA
+"13597","2-(2,5-Dimethoxyanilino)-N-(6-((2,5-dimethoxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Dimethoxyanilino)-N-(6-((2,5-dimethoxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide",NA,"COC1=CC(=C(C=C1)OC)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=C(C=CC(=C4)OC)OC","BONRGSXYWWXQEB-UHFFFAOYSA-N",390414,NA,"PDBC13597","687768","Present",NA,NA
+"13598","2-(2,5-Dimethoxyanilino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Dimethoxyanilino)acetonitrile",NA,"COC1=CC(=C(C=C1)OC)NCC#N","LSMXDOWTIBJMHS-UHFFFAOYSA-N",357717,NA,"PDBC13598","617234","Present",NA,NA
+"13599","2-(2,5-Dimethoxybenzylidene)-1-tetralone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Dimethoxybenzylidene)-1-tetralone",NA,"COC1=CC(=C(C=C1)OC)C=C2CCC3=CC=CC=C3C2=O","SUTYWHROSNPLDQ-SDNWHVSQSA-N",5730654,NA,"PDBC13599","643025","Present",NA,NA
+"13600","2-(2,5-Dimethoxyphenyl)-1-(4-methoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HYFOJZRRMCKZRE-UHFFFAOYSA-N",NA,"COC1=CC=C(C=C1)C(=O)CC2=C(C=CC(=C2)OC)OC","HYFOJZRRMCKZRE-UHFFFAOYSA-N",358216,NA,"PDBC13600","618117","Present",NA,NA
+"13601","2-(2,5-Dimethoxyphenyl)-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"USAPUCSPDYTFQI-UHFFFAOYSA-N",NA,"COC1=CC(=C(C=C1)OC)C2=NC3=CC=CC=C3C(=O)N2","USAPUCSPDYTFQI-UHFFFAOYSA-N",135463673,NA,"PDBC13601","684367","Present",NA,NA
+"13602","2-(2,5-Dimethoxyphenyl)benzo[g]quinoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KUC107768N",NA,"COC1=CC(=C(C=C1)OC)C2=NC3=CC4=CC=CC=C4C=C3C(=C2)C(=O)O","ZCLXWKXUYMPGDQ-UHFFFAOYSA-N",282671,NA,"PDBC13602","136473","Present",NA,NA
+"13603","2-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]benzothiazole",NA,"COC1=CC(=C(C=C1)OC)C2=CN3C4=CC=CC=C4SC3=N2","YDNALTMJGPSMPG-UHFFFAOYSA-N",386067,NA,"PDBC13603","677634","Present",NA,NA
+"13604","2-(2,5-Dimethylphenyl)-2,3-dihydroquinazolin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinazolinone, 2-(2,5-dimethylphenyl)-2,3-dihydro-",NA,"CC1=CC(=C(C=C1)C)C2NC3=CC=CC=C3C(=O)N2","YJPGBNWVIDVAHH-UHFFFAOYSA-N",292556,NA,"PDBC13604","158383","Present",NA,NA
+"13605","2-(2,5-Diphenyl-1H-pyrrol-3-yl)-2,5-diphenyl-1H-pyrrol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Diphenyl-1H-pyrrol-3-yl)-2,5-diphenyl-1H-pyrrol-3-one",NA,"C1=CC=C(C=C1)C2=CC(=C(N2)C3=CC=CC=C3)C4(C(=O)C=C(N4)C5=CC=CC=C5)C6=CC=CC=C6","QWZZHEPIMXFLLA-UHFFFAOYSA-N",360056,NA,"PDBC13605","621854","Present",NA,NA
+"13606","2-(2,5-Diphenylpyrrol-1-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Diphenylpyrrol-1-yl)phenol",NA,"C1=CC=C(C=C1)C2=CC=C(N2C3=CC=CC=C3O)C4=CC=CC=C4","NYXRQYOKUKNCNH-UHFFFAOYSA-N",265594,NA,"PDBC13606","101789","Present",NA,NA
+"13607","2-(2,5-Ditert-butylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Ditert-butylphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydro-2H-isoindole-1,3-dione",NA,"CC1=C(CC2C(C1)C(=O)N(C2=O)C3=C(C=CC(=C3)C(C)(C)C)C(C)(C)C)C","BLRBFXKWWFDGCB-UHFFFAOYSA-N",401155,NA,"PDBC13607","714123","Present",NA,NA
+"13608","2-(2,5-Trimethoxystyryl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,4,5-Trimethoxystyryl)benzothiazole",NA,"COC1=CC(=C(C=C1C=CC2=NC3=CC=CC=C3S2)OC)OC","JPYUAQHFVZDAOO-CMDGGOBGSA-N",5790338,NA,"PDBC13608","263625","Present",NA,NA
+"13609","2-(2,6-Dichloroanilino)-N-(2-diethylaminoethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,6-Dichloroanilino)-N-(2-diethylaminoethyl)benzamide",NA,"CCN(CC)CCNC(=O)C1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl","LJFGNFFRBPKTIP-UHFFFAOYSA-N",375264,NA,"PDBC13609","654736","Present",NA,NA
+"13610","2-(2,6-Dichloroanilino)-N-[7-[(2,6-dichlorophenyl)sulfamoyl]-1-oxo-2H-naphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,6-Dichloroanilino)-N-[7-[(2,6-dichlorophenyl)sulfamoyl]-1-oxo-2H-naphthalen-2-yl]acetamide",NA,"C1=CC(=C(C(=C1)Cl)NCC(=O)NC2C=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=C(C=CC=C4Cl)Cl)Cl","AAHVZBOFTGNEMJ-UHFFFAOYSA-N",390409,NA,"PDBC13610","687763","Present",NA,NA
+"13611","2-(2,6-Dichlorophenyl)-4-methyl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,6-Dichlorophenyl)-4-methyl-2,3-dihydro-1,5-benzothiazepine",NA,"CC1=NC2=CC=CC=C2SC(C1)C3=C(C=CC=C3Cl)Cl","WDWFSZMSQVMPRQ-UHFFFAOYSA-N",367016,NA,"PDBC13611","636343","Present",NA,NA
+"13612","2-(2,6-Diethyl-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,6-Diethyl-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione",NA,"CCC1=C(C(=CC=C1)CC)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","WBKHHYIIZTWNNQ-UHFFFAOYSA-N",377062,NA,"PDBC13612","658277","Present",NA,NA
+"13613","2-(2,6-Dimethyl-4-morpholinyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-27097",NA,"CC1CN(CC(O1)C)CCO","VAFPVCCEXLHAGE-UHFFFAOYSA-N",340704,NA,"PDBC13613","371727","Present",NA,NA
+"13614","2-(2,6-Dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,6-Dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetamide",NA,"C1=NC2=C(N1)C(=O)NC(=O)N2CC(=O)N","MDFAWSFOZCPPHC-UHFFFAOYSA-N",367811,NA,"PDBC13614","637876","Present",NA,NA
+"13615","2-(2,6-dioxo-7H-purin-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,6-dioxo-7H-purin-3-yl)acetic acid",NA,"C1=NC2=C(N1)C(=O)NC(=O)N2CC(=O)O","BJNYDPYUQPTASK-UHFFFAOYSA-N",367809,NA,"PDBC13615","637874","Present",NA,NA
+"13616","2-(2,7-Dimethoxyacridin-9-yl)sulfanylethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BG-832",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCO)OC","KQQNVJYEAFNAOR-UHFFFAOYSA-N",395393,NA,"PDBC13616","699929","Present",NA,NA
+"13617","2-(2-(((4-Phenyl-1H-pyrrol-3-yl)carbonyl)oxy)ethoxy)ethyl 4-phenyl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(((4-Phenyl-1H-pyrrol-3-yl)carbonyl)oxy)ethoxy)ethyl 4-phenyl-1H-pyrrole-3-carboxylate",NA,"C1=CC=C(C=C1)C2=CNC=C2C(=O)OCCOCCOC(=O)C3=CNC=C3C4=CC=CC=C4","MWPWHBVKXWQVOZ-UHFFFAOYSA-N",361884,NA,"PDBC13617","625229","Present",NA,NA
+"13618","2-(2-((1,3-Dimethyl-2-oxo-6-thioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)ethyl)-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(1,3-Dimethyl-2-oxo-6-sulfanylidene-7H-purin-8-yl)sulfanyl]ethyl]isoindole-1,3-dione",NA,"CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3C(=O)C4=CC=CC=C4C3=O","KRVABNNUQOZRNS-UHFFFAOYSA-N",3246362,NA,"PDBC13618","99671","Present",NA,NA
+"13619","2-(2-((2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)(1H-pyrazol-1-ylmethyl)amino)ethyl)-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(1,3-Dioxoisoindolin-2-yl)ethyl-(pyrazol-1-ylmethyl)amino]ethyl]isoindoline-1,3-dione",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCN(CCN3C(=O)C4=CC=CC=C4C3=O)CN5C=CC=N5","VBZPIGSBLMEOLH-UHFFFAOYSA-N",361759,NA,"PDBC13619","625025","Present",NA,NA
+"13620","2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(2,6-dichloro-4-(hydroxy(oxido)amino)phenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,6-dichloro-4-nitrophenyl)-2-oxoacetamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2Cl)[N+](=O)[O-])Cl","CSOROTMZQBWXDV-UHFFFAOYSA-N",11979343,NA,"PDBC13620","641442","Present",NA,NA
+"13621","2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(4-methoxy-2-nitrophenyl)-2-oxoacetamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]","PNBYEPQHTQTIRR-UHFFFAOYSA-N",11979341,NA,"PDBC13621","641436","Present",NA,NA
+"13622","2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(2-cyano-4-(hydroxy(oxido)amino)phenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-cyano-4-nitrophenyl)-2-oxoacetamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C#N","DPYRMSCDVMSDSG-UHFFFAOYSA-N",11979342,NA,"PDBC13622","641441","Present",NA,NA
+"13623","2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(2-isopropyl-6-methylphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-methyl-6-propan-2-ylphenyl)-2-oxoacetamide",NA,"CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C","MAHPTXQTVYSZRC-UHFFFAOYSA-N",369575,NA,"PDBC13623","641444","Present",NA,NA
+"13624","2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(4-chloro-3-(hydroxy(oxido)amino)phenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(4-chloro-3-nitrophenyl)-2-oxoacetamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-]","VGEPPTNRHMQIFF-UHFFFAOYSA-N",11979339,NA,"PDBC13624","641429","Present",NA,NA
+"13625","2-(2-((2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)carbonyl)hydrazino)-N-(6-(hydroxy(oxido)amino)-2,3-dimethylphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,3-dimethyl-6-nitrophenyl)-2-oxoacetamide",NA,"CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C)C","ROASJFGGKMRNRO-UHFFFAOYSA-N",11979340,NA,"PDBC13625","641432","Present",NA,NA
+"13626","2-(2-((2-Isopropylphenyl)sulfinyl)phenyl)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-((2-Isopropylphenyl)sulfinyl)phenyl)-2-propanol",NA,"CC(C)C1=CC=CC=C1S(=O)C2=CC=CC=C2C(C)(C)O","BNAGKGMIYANWAW-UHFFFAOYSA-N",329524,NA,"PDBC13626","312816","Present",NA,NA
+"13627","2-(2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanoyl)-N-phenylhydrazinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-((4,5-Diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanoyl)-N-phenylhydrazinecarbothioamide",NA,"CC(C)C(C(=O)NNC(=S)NC1=CC=CC=C1)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","BROKHWDLQSGCDE-UHFFFAOYSA-N",3004406,NA,"PDBC13627","650818","Present",NA,NA
+"13628","2-(2-((Hydroxyimino)methyl)-3-pyridinyl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-((Hydroxyimino)methyl)-3-pyridinyl)ethyl acetate",NA,"CC(=O)OCCC1=C(N=CC=C1)C=NO","XIGOXJUXTSVWBQ-KPKJPENVSA-N",135499210,NA,"PDBC13628","644872","Present",NA,NA
+"13629","2-(2-((Tert-Butyl(dimethyl)silyl)oxy)ethyl)-4-(1,3,4,5-cyclohexatetraen-1-ylsulfonyl)-5-(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(Benzenesulfonyl)-4-cyclohexa-1,3,4,5-tetraen-1-ylsulfonyl-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]ethoxy-tert-butyl-dimethylsilane",NA,"CC(C)(C)[Si](C)(C)OCCC1CC2(C(CN1O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=C=C=C4","DLISVRBYLGDGIP-UHFFFAOYSA-N",373324,NA,"PDBC13629","649468","Present",NA,NA
+"13630","2-(2-(1,3-Benzodithiol-2-ylidene)-1,2-bis(5-methyl-2-thienyl)ethylidene)-1,3-benzodithiole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(1,3-Benzodithiol-2-ylidene)-1,2-bis(5-methyl-2-thienyl)ethylidene)-1,3-benzodithiole",NA,"CC1=CC=C(S1)C(=C2SC3=CC=CC=C3S2)C(=C4SC5=CC=CC=C5S4)C6=CC=C(S6)C","DFTXMENVHKRVMU-UHFFFAOYSA-N",388885,NA,"PDBC13630","684110","Present",NA,NA
+"13631","2-(2-(1-(Pyrimidin-4-yl)ethylidene)hydrazinyl)benzo[d]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(1-(pyrimidin-4-yl)ethylidene)hydrazinyl)benzo[d]th...",NA,"CC(=NNC1=NC2=CC=CC=C2S1)C3=NC=NC=C3","ZMEIUSLAHMLILY-RQZCQDPDSA-N",5351439,NA,"PDBC13631","693632","Present",NA,NA
+"13632","2-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid",NA,"CN1C2=CC=CC=C2C(=NNC3=CC=CC=C3C(=O)O)C4=CC=CC=C41","JXOZYPCJFBLQQM-UHFFFAOYSA-N",385771,NA,"PDBC13632","677165","Present",NA,NA
+"13633","2-(2-(2,3-Dihydro-1,3-benzothiazol-2-yl)hexahydropyrrolo[2,1-b][1,3]oxazol-3-yl)-2,3-dihydro-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis(2,3-dihydro-1,3-benzothiazol-2-yl)-2,3,5,6,7,7a-hexahydropyrrolo[2,1-b]oxazole",NA,"C1CC2N(C1)C(C(O2)C3NC4=CC=CC=C4S3)C5NC6=CC=CC=C6S5","SKSITQFSDMBHNB-UHFFFAOYSA-N",376406,NA,"PDBC13633","657318","Present",NA,NA
+"13634","2-(2-(2,4,5-Tris(2-(2-formylphenoxy)ethoxy)phenoxy)ethoxy)benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2,4,5-Tris(2-(2-formylphenoxy)ethoxy)phenoxy)ethoxy)benzaldehyde",NA,"C1=CC=C(C(=C1)C=O)OCCOC2=CC(=C(C=C2OCCOC3=CC=CC=C3C=O)OCCOC4=CC=CC=C4C=O)OCCOC5=CC=CC=C5C=O","ZOGKENMIMVPTEB-UHFFFAOYSA-N",373590,NA,"PDBC13634","650043","Present",NA,NA
+"13635","2-(2-(2,4-Dichlorophenyl)ethyl)-1-methyl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2,4-Dichlorophenyl)ethyl)-1-methyl-1H-imidazole",NA,"CN1C=CN=C1CCC2=C(C=C(C=C2)Cl)Cl","WUGHVDNSXPELLP-UHFFFAOYSA-N",368167,NA,"PDBC13635","638585","Present",NA,NA
+"13636","2-(2-(2,4-Difluorophenyl)ethyl)-1-methyl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2,4-Difluorophenyl)ethyl)-1-methyl-1H-imidazole",NA,"CN1C=CN=C1CCC2=C(C=C(C=C2)F)F","JIWLBGVUDGRYDV-UHFFFAOYSA-N",381493,NA,"PDBC13636","668214","Present",NA,NA
+"13637","2-(2-(2,4-Dimethylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2,4-Dimethylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide",NA,"CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=C(C=C(C=C3)C)C)S2","OZBCLCBZGFTEGI-UHFFFAOYSA-N",135452644,NA,"PDBC13637","634412","Present",NA,NA
+"13638","2-(2-(2,5-Dibromo-4-(2-(1-methyl-1H-pyrrol-2-yl)vinyl)phenyl)vinyl)-1-methyl-1H-pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2-[2,5-Dibromo-4-[(E)-2-(1-methylpyrrol-2-yl)vinyl]phenyl]vinyl]-1-methyl-pyrrole",NA,"CN1C=CC=C1C=CC2=CC(=C(C=C2Br)C=CC3=CC=CN3C)Br","GEGUYLUTEIYTNK-FIFLTTCUSA-N",5387804,NA,"PDBC13638","627573","Present",NA,NA
+"13639","2-(2-(2,5-Dimethoxyphenyl)ethyl)-1,4-dimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1,1'-(1,2-ethanediyl)bis[2,5-dimethoxy-",NA,"COC1=CC(=C(C=C1)OC)CCC2=C(C=CC(=C2)OC)OC","PJPONKMXDCEBRP-UHFFFAOYSA-N",297389,NA,"PDBC13639","168516","Present",NA,NA
+"13640","2-(2-(2,6-Dichloroanilino)phenyl)-N-(3-(diethylamino)propyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2,6-Dichloroanilino)phenyl)-N-(3-(diethylamino)propyl)acetamide",NA,"CCN(CC)CCCNC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl","OYUKOFKURXFZKR-UHFFFAOYSA-N",375259,NA,"PDBC13640","654733","Present",NA,NA
+"13641","2-(2-(2-((Benzyloxy)methyl)-1-((tert-butyl(dimethyl)silyl)oxy)-2-cyclohexen-1-yl)ethyl)phenyl trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[2-[1-[Tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxymethyl)cyclohex-2-en-1-yl]ethyl]phenyl] trifluoromethanesulfonate",NA,"CC(C)(C)[Si](C)(C)OC1(CCCC=C1COCC2=CC=CC=C2)CCC3=CC=CC=C3OS(=O)(=O)C(F)(F)F","LPFJOIQKSSSIAJ-UHFFFAOYSA-N",394601,NA,"PDBC13641","698181","Present",NA,NA
+"13642","2-(2-(2-((Tert-Butyl(dimethyl)silyl)oxy)ethyl)phenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[4,5-Bis(benzenesulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]phenyl]ethoxy-tert-butyl-dimethylsilane",NA,"CC(C)(C)[Si](C)(C)OCCC1=CC=CC=C1C2CC3(C(CN2O3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","SWWCJTUVSXJESY-UHFFFAOYSA-N",373323,NA,"PDBC13642","649467","Present",NA,NA
+"13643","2-(2-(2-(2,4,5-Tris(2-(2-(1,3-dioxolan-2-yl)phenoxy)ethoxy)phenoxy)ethoxy)phenyl)-1,3-dioxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-(2,4,5-Tris(2-(2-(1,3-dioxolan-2-yl)phenoxy)ethoxy)phenoxy)ethoxy)phenyl)-1,3-dioxolane",NA,"C1COC(O1)C2=CC=CC=C2OCCOC3=CC(=C(C=C3OCCOC4=CC=CC=C4C5OCCO5)OCCOC6=CC=CC=C6C7OCCO7)OCCOC8=CC=CC=C8C9OCCO9","JYVTWSAMQLZEKP-UHFFFAOYSA-N",374816,NA,"PDBC13643","653153","Present",NA,NA
+"13644","2-(2-(2-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino)-1,3-thiazol-4-yl)-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino)-1,3-thiazol-4-yl)-N-phenylacetamide",NA,"C1=CC=C(C=C1)NC(=O)CC2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O","XEYRUBDXGZQFDO-UHFFFAOYSA-N",376657,NA,"PDBC13644","657703","Present",NA,NA
+"13645","2-(2-(2-(5-(Anilinomethylene)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazino)-1,3-thiazol-5-yl)-N-(2-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(2E)-2-[3-Ethyl-4-hydroxy-5-(phenyliminomethyl)-1,3-thiazol-2-ylidene]hydrazinyl]-1,3-thiazol-5-yl]-N-(2-methylphenyl)acetamide",NA,"CCN1C(=C(SC1=NNC2=NC=C(S2)CC(=O)NC3=CC=CC=C3C)C=NC4=CC=CC=C4)O","DREITMHDYNZOKF-NOTXRWQHSA-N",135462447,NA,"PDBC13645","658350","Present",NA,NA
+"13646","2-(2-(2-(Benzyloxy)ethoxy)ethoxy)ethyl palmitate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-(Benzyloxy)ethoxy)ethoxy)ethyl palmitate",NA,"CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCC1=CC=CC=C1","DHITYIPWFQRZCH-UHFFFAOYSA-N",361960,NA,"PDBC13646","625443","Present",NA,NA
+"13647","2-(2-(2-Amino-2-oxoethoxy)ethoxy)-N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Amino-2-oxoethoxy)ethoxy)-N-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)acetamide",NA,"CC1(C2CCC1(C(C2)NC(=O)COCCOCC(=O)N)C)C","IRNKFZWRARRMNB-UHFFFAOYSA-N",376005,NA,"PDBC13647","656385","Present",NA,NA
+"13648","2-(2-(2-Amino-4-tert-butylphenoxy)ethoxy)-5-tert-butylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Amino-4-tert-butylphenoxy)ethoxy)-5-tert-butylaniline",NA,"CC(C)(C)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C(C)(C)C)N)N","VCHBKHLVWXUWFZ-UHFFFAOYSA-N",394578,NA,"PDBC13648","698147","Present",NA,NA
+"13649","2-(2-(2-Aminoethoxy)ethoxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H2N-PEG2-CH2COOH",NA,"C(COCCOCC(=O)O)N","RUVRGYVESPRHSZ-UHFFFAOYSA-N",362706,NA,"PDBC13649","626945","Present",NA,NA
+"13650","2-(2-(2-Butoxyethoxy)ethoxy)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Butoxyethoxy)ethoxy)naphthazarin",NA,"CCCCOCCOCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","AHWDBDDIHKRXEO-UHFFFAOYSA-N",378625,NA,"PDBC13650","661418","Present",NA,NA
+"13651","2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,4-dichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,4-dichlorophenyl)acetamide",NA,"C1=CC=C(C(=C1)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl)Cl","UXVYYFRGYBIXLW-UHFFFAOYSA-N",135503444,NA,"PDBC13651","632247","Present",NA,NA
+"13652","2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,5-dimethylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,5-dimethylphenyl)acetamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)CC2C(=O)NC(=NC3=CC=CC=C3Cl)S2","FZIWAIYGXCODCO-UHFFFAOYSA-N",135463157,NA,"PDBC13652","634392","Present",NA,NA
+"13653","2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-chloro-2-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-chloro-2-methylphenyl)acetamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CC2C(=O)NC(=NC3=CC=CC=C3Cl)S2","MNJHFMHCCLCTHG-UHFFFAOYSA-N",135503442,NA,"PDBC13653","632242","Present",NA,NA
+"13654","2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-chlorophenyl)acetamide",NA,"C1=CC=C(C(=C1)N=C2NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Cl)Cl","NMVHQGBRMUKTAN-UHFFFAOYSA-N",135503460,NA,"PDBC13654","635564","Present",NA,NA
+"13655","2-(2-(2-Ethyl-4-methylene-5-oxotetrahydro-2-furanyl)ethyl)-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Ethyl-4-methylene-5-oxotetrahydro-2-furanyl)ethyl)-1H-isoindole-1,3(2H)-dione",NA,"CCC1(CC(=C)C(=O)O1)CCN2C(=O)C3=CC=CC=C3C2=O","NMDBGGUDFHJHAV-UHFFFAOYSA-N",368843,NA,"PDBC13655","640168","Present",NA,NA
+"13656","2-(2-(2-Hydroxyethoxy)ethylamino)-5,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Hydroxyethoxy)ethylamino)-5,8-dihydroxy- 1,4-nap...",NA,"C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)NCCOCCO)O","WUKSIUMPFVIQOR-UHFFFAOYSA-N",377210,NA,"PDBC13656","658442","Present",NA,NA
+"13657","2-(2-(2-Hydroxyethyl)phenyl)-N-(2-phenylethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Hydroxyethyl)phenyl)-N-(2-phenylethyl)acetamide",NA,"C1=CC=C(C=C1)CCNC(=O)CC2=CC=CC=C2CCO","BRZWPHHHWCGOOS-UHFFFAOYSA-N",390008,NA,"PDBC13657","686931","Present",NA,NA
+"13658","2-(2-(2-Methoxyethoxy)ethoxy)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Methoxyethoxy)ethoxy)naphthazarin",NA,"COCCOCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","PFFIYSKGKWGZIM-UHFFFAOYSA-N",378623,NA,"PDBC13658","661416","Present",NA,NA
+"13659","2-(2-(2-Piperidinyl)ethyl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(2-Piperidinyl)ethyl)quinoline",NA,"C1CCNC(C1)CCC2=NC3=CC=CC=C3C=C2","YSBPMMIOSDLMAM-UHFFFAOYSA-N",238467,NA,"PDBC13659","42816","Present",NA,NA
+"13660","2-(2-(2-Pyridinyl)-1,3-dioxolan-2-yl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Pyridin-2-yl-1,3-dioxolan-2-yl)-1H-indole",NA,"C1COC(O1)(C2=CC=CC=N2)C3=CC4=CC=CC=C4N3","COWYISPVZDAVOO-UHFFFAOYSA-N",392287,NA,"PDBC13660","692421","Present",NA,NA
+"13661","2-(2-(3,4-Dichlorophenyl)vinyl)-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(3,4-Dichlorophenyl)vinyl)-1,3-benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)C=CC3=CC(=C(C=C3)Cl)Cl","XCPIFYWAYGORLC-SOFGYWHQSA-N",5798722,NA,"PDBC13661","670685","Present",NA,NA
+"13662","2-(2-(3,4-Dimethoxyphenyl)ethyl)-1-methyl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(3,4-Dimethoxyphenyl)ethyl)-1-methyl-1H-imidazole",NA,"CN1C=CN=C1CCC2=CC(=C(C=C2)OC)OC","YONJQPJIEATLSF-UHFFFAOYSA-N",381524,NA,"PDBC13662","668280","Present",NA,NA
+"13663","2-(2-(3,5-Dihydroxy-1,2,4-triazin-6-yl)phenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)ph...",NA,"C1=CC=C(C(=C1)C2=NNC(=O)NC2=O)N3C(=O)NC(=O)C(=N3)C(=O)O","IXKGNNQTJQVGKK-UHFFFAOYSA-N",338741,NA,"PDBC13663","362639","Present",NA,NA
+"13664","2-(2-(3-Chloro-2-hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(3-Chloro-2-hydroxypropyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-propanediol",NA,"COC1=C(C=C2C(N(CCC2=C1)CC(CCl)O)C(CO)CO)OC","JTYIVAVNPJVXGA-UHFFFAOYSA-N",373604,NA,"PDBC13664","650209","Present",NA,NA
+"13665","2-(2-(3-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(3-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-methylphenyl)acetamide",NA,"CC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=C(C(=CC=C3)Cl)C)S2","NMLSXGMUYTXGRL-UHFFFAOYSA-N",135503443,NA,"PDBC13665","632245","Present",NA,NA
+"13666","2-(2-(3-Pyridinyl)ethyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK080084",NA,"C1=CC=NC(=C1)CCC2=CN=CC=C2","FKRHNJKOAMFDOX-UHFFFAOYSA-N",248743,NA,"PDBC13666","66162","Present",NA,NA
+"13667","2-(2-(4-Bromophenyl)-2-oxoethylidene)-5-(2,4-dimethylphenyl)-3(2H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furan-3(2H)-one, 2-[2-(4-bromophenyl)-2-oxoethylidene]- ...",NA,"CC1=CC(=C(C=C1)C2=CC(=O)C(=CC(=O)C3=CC=C(C=C3)Br)O2)C","UFMBMHFRHBOKNN-KEBDBYFISA-N",5468713,NA,"PDBC13667","674919","Present",NA,NA
+"13668","2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,4-dichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,4-dichlorophenyl)acetamide",NA,"CC1=C(C=CC(=C1)Cl)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl","VKYDQDGPOZKLFN-UHFFFAOYSA-N",135503445,NA,"PDBC13668","632957","Present",NA,NA
+"13669","2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(4-methoxy-2-nitrophenyl)acetamide",NA,"CC1=C(C=CC(=C1)Cl)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]","BNODKUWAGFYKQY-UHFFFAOYSA-N",135469000,NA,"PDBC13669","634417","Present",NA,NA
+"13670","2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3-chlorophenyl)acetamide",NA,"CC1=C(C=CC(=C1)Cl)N=C2NC(=O)C(S2)CC(=O)NC3=CC(=CC=C3)Cl","GRONYOZLTKWDIM-UHFFFAOYSA-N",135444515,NA,"PDBC13670","633945","Present",NA,NA
+"13671","2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)acetamide",NA,"CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=CC=C(C=C3)Cl)S2)C","ACQSRWGWHHIWSG-UHFFFAOYSA-N",135483407,NA,"PDBC13671","635418","Present",NA,NA
+"13672","2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(4-Chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)acetamide",NA,"CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=CC=C(C=C3)Cl)S2","MENUNSIJJHJVQI-UHFFFAOYSA-N",135503439,NA,"PDBC13672","631563","Present",NA,NA
+"13673","2-(2-(4-Chlorophenyl)vinyl)-N~4~-(4-(diethylamino)-1-methylbutyl)-N~7~,N~7~-dimethyl-4,7-quinolinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-chlorophenyl)ethenyl]-4-N-[5-(diethylamino)penta...",NA,"CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC(=C1)C=CC3=CC=C(C=C3)Cl)N(C)C","IHVLNHIQZZXWLC-NTCAYCPXSA-N",5780727,NA,"PDBC13673","292651","Present",NA,NA
+"13674","2-(2-(4-Ethoxy-3,5-dimethoxybenzyl)hydrazino)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(4-Ethoxy-3,5-dimethoxybenzyl)hydrazino)-1,3-thiazole",NA,"CCOC1=C(C=C(C=C1OC)CNNC2=NC=CS2)OC","RAUBLGZKCZGTQC-UHFFFAOYSA-N",386062,NA,"PDBC13674","677631","Present",NA,NA
+"13675","2-(2-(4-Ethoxyanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2-(hydroxy(oxido)amino)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Ethoxyanilino)-4-oxo-thiazol-5-yl]-N-(2-nitrophenyl)acetamide",NA,"CCOC1=CC=C(C=C1)N=C2NC(=O)C(S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]","WMFTVCDMRYARPC-UHFFFAOYSA-N",135478596,NA,"PDBC13675","634408","Present",NA,NA
+"13676","2-(2-(5-(2-Phenylvinyl)-1H-pyrazol-3-yl)ethyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[5-[(E)-Styryl]-1H-pyrazol-3-yl]ethyl]-1H-benzimidazole",NA,"C1=CC=C(C=C1)C=CC2=NNC(=C2)CCC3=NC4=CC=CC=C4N3","OWYXAQBXRBXNCS-ZHACJKMWSA-N",5387980,NA,"PDBC13676","630309","Present",NA,NA
+"13677","2-(2-(6-(2-(2-Formylphenyl)ethyl)-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl)ethyl)benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[2-(2-Formylphenyl)ethyl]-1,3,5,7-tetraoxo-pyrrolo[3,4-f]isoindol-6-yl]ethyl]benzaldehyde",NA,"C1=CC=C(C(=C1)CCN2C(=O)C3=CC4=C(C=C3C2=O)C(=O)N(C4=O)CCC5=CC=CC=C5C=O)C=O","YERGARCCZLUFGE-UHFFFAOYSA-N",374806,NA,"PDBC13677","653143","Present",NA,NA
+"13678","2-(2-(6-Oxo-3,5-diphenyl-1(6H)-pyridazinyl)ethyl)-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(6-Oxo-3,5-diphenyl-1(6H)-pyridazinyl)ethyl)-1H-isoindole-1,3(2H)-dione",NA,"C1=CC=C(C=C1)C2=CC(=NN(C2=O)CCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5","OTBNZESEXVQGIJ-UHFFFAOYSA-N",366366,NA,"PDBC13678","634742","Present",NA,NA
+"13679","2-(2-(Allylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,4-bis(hydroxy(oxido)amino)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Allylamino)-4-oxo-thiazol-5-yl]-N-(2,4-dinitrophenyl)acetamide",NA,"C=CCN=C1NC(=O)C(S1)CC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","FZUBGBXCQZNUDI-UHFFFAOYSA-N",135503455,NA,"PDBC13679","634391","Present",NA,NA
+"13680","2-(2-(Allylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Allylamino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(3-chlorophenyl)acetamide",NA,"C=CCN=C1NC(=O)C(S1)CC(=O)NC2=CC(=CC=C2)Cl","GYUBDLAWWGIGOY-UHFFFAOYSA-N",135452289,NA,"PDBC13680","631560","Present",NA,NA
+"13681","2-(2-(Benzoylamino)-3-(3-(hydroxy(oxido)amino)phenyl)acryloyl)-N-(4-chlorophenyl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-[[(4-Chlorophenyl)carbamoylamino]carbamoyl]-2-(3-nitrophenyl)vinyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NNC(=O)NC3=CC=C(C=C3)Cl","WQOFKOQXKBPZJP-ZHZULCJRSA-N",5388180,NA,"PDBC13681","632950","Present",NA,NA
+"13682","2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)-1-(phenoxymethyl)ethyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)-1-(phenoxymethyl)ethyl benzoate",NA,"C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CC(COC4=CC=CC=C4)OC(=O)C5=CC=CC=C5","LLKTWSQXNAIHSZ-UHFFFAOYSA-N",135430117,NA,"PDBC13682","637535","Present",NA,NA
+"13683","2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCCN2C=NC3=C2C(=O)NC(=N3)NC(=O)C4=CC=CC=C4","LKMUJBRHMQSHIL-UHFFFAOYSA-N",135494907,NA,"PDBC13683","637515","Present",NA,NA
+"13684","2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl benzoate",NA,"C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCOC(=O)C4=CC=CC=C4","USPKQGSSAICBHS-UHFFFAOYSA-N",135501538,NA,"PDBC13684","637507","Present",NA,NA
+"13685","2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl methanesulfonate",NA,"CS(=O)(=O)OCCN1C=NC2=C1C(=O)NC(=N2)NC(=O)C3=CC=CC=C3","VJLSJEBFFQRVQX-UHFFFAOYSA-N",135503473,NA,"PDBC13685","637516","Present",NA,NA
+"13686","2-(2-(Benzyl(hydroxy)amino)ethyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Benzyl(hydroxy)amino)ethyl)pyridine",NA,"C1=CC=C(C=C1)CN(CCC2=CC=CC=N2)O","XESWVOYQVZPHKK-UHFFFAOYSA-N",250864,NA,"PDBC13686","70817","Present",NA,NA
+"13687","2-(2-(Dimethylamino)ethylamino)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Dimethylamino)ethylamino)naphthazarin",NA,"CN(C)CCNC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","FTXFIRWTPFUYDI-UHFFFAOYSA-N",376950,NA,"PDBC13687","658145","Present",NA,NA
+"13688","2-(2-(Dimethylamino)ethylthio)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHTMWEOOCHRCKO-UHFFFAOYSA-N",NA,"CN(C)CCSCCO","CHTMWEOOCHRCKO-UHFFFAOYSA-N",305582,NA,"PDBC13688","202604","Present",NA,NA
+"13689","2-(2-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC=CC=C4[N+](=O)[O-]","MREDQICLGDKZIF-UHFFFAOYSA-N",376433,NA,"PDBC13689","657347","Present",NA,NA
+"13690","2-(2-(Hydroxy(oxido)amino)anilino)-N-(6-((2-(hydroxy(oxido)amino)anilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Nitroanilino)-N-[6-[(2-nitrophenyl)sulfamoyl]-4-oxoquinazolin-3-yl]acetamide",NA,"C1=CC=C(C(=C1)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4[N+](=O)[O-])[N+](=O)[O-]","SPYNKZUDTPJNKU-UHFFFAOYSA-N",390411,NA,"PDBC13690","687765","Present",NA,NA
+"13691","2-(2-(Hydroxymethyl)-4,5-dimethoxyphenyl)-N-(3-(3-methoxyphenyl)propyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Hydroxymethyl)-4,5-dimethoxyphenyl)-N-(3-(3-methoxyphenyl)propyl)acetamide",NA,"COC1=CC=CC(=C1)CCCNC(=O)CC2=CC(=C(C=C2CO)OC)OC","DZRFKXXLDCNOMJ-UHFFFAOYSA-N",390035,NA,"PDBC13691","686949","Present",NA,NA
+"13692","2-(2-(Hydroxymethyl)-4,5-dimethoxyphenyl)-N-(3-phenylpropyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Hydroxymethyl)-4,5-dimethoxyphenyl)-N-(3-phenylpropyl)acetamide",NA,"COC1=C(C=C(C(=C1)CC(=O)NCCCC2=CC=CC=C2)CO)OC","ZCIZUWTYKOSXNN-UHFFFAOYSA-N",390036,NA,"PDBC13692","686950","Present",NA,NA
+"13693","2-(2-(Phenylsulfonyl)-2,3-butadienyl)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Phenylsulfonyl)-2,3-butadienyl)cyclohexanone",NA,"C=C=C(CC1CCCCC1=O)S(=O)(=O)C2=CC=CC=C2","SYHFPVJPQMKXCX-UHFFFAOYSA-N",379026,NA,"PDBC13693","662788","Present",NA,NA
+"13694","2-(2-(Trifluoromethyl)anilino)naphtho[2,3-d][1,3]thiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Trifluoromethyl)anilino)naphtho[2,3-d][1,3]thiazole-4,9-dione",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=CC=C4C(F)(F)F","IHXQSBOKTPTGLJ-UHFFFAOYSA-N",377061,NA,"PDBC13694","658276","Present",NA,NA
+"13695","2-(2-(Trifluoromethyl)phenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(Trifluoromethyl)phenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione",NA,"C1=CC=C(C(=C1)C(F)(F)F)N2C(=O)C3C(C2=O)SC4=CC=CC=C4N3","YBQRTYUDGSJFHG-UHFFFAOYSA-N",366290,NA,"PDBC13695","634641","Present",NA,NA
+"13696","2-(2-(benzo[d]thiazole-2-carbonyl)hydrazono)propanoic ac...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(benzo[d]thiazole-2-carbonyl)hydrazono)propanoic ac...",NA,NA,NA,NA,NA,"PDBC13696","788377","Present",NA,NA
+"13697","2-(2-4-[3-(7-Methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]p yrrolo[1,2-a][1,4]diazepin-8-yloxy)ethyl]hexahydro-1-pyrazin ylethyl)-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-4-[3-(7-methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-benzo...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCN4CCN(CC4)CCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O","IJNYZJHHEVZWAC-QHCPKHFHSA-N",11649976,NA,"PDBC13697","726708","Present",NA,NA
+"13698","2-(2-Acetamidothiazol-5-yl)sulfanylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Acetamidothiazol-5-yl)sulfanylbenzoic acid",NA,"CC(=O)NC1=NC=C(S1)SC2=CC=CC=C2C(=O)O","XHKVAKSCPSYRGB-UHFFFAOYSA-N",391252,NA,"PDBC13698","690149","Present",NA,NA
+"13699","2-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-benzyl-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-benzyl-1H-indole",NA,"CC(=O)N1C(CCN1C2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)CC5=CC=CC=C5","OYWROJXUKQGJOC-UHFFFAOYSA-N",377007,NA,"PDBC13699","658225","Present",NA,NA
+"13700","2-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-phenyl-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-phenyl-1H-indole",NA,"CC(=O)N1C(CCN1C2=CC=CC=C2)C3=C(C4=CC=CC=C4N3)C5=CC=CC=C5","KJZARKYUBZNZKX-UHFFFAOYSA-N",377006,NA,"PDBC13700","658224","Present",NA,NA
+"13701","2-(2-Acetyl-1H-benzimidazol-1-yl)-1-phenyl-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Acetyl-1H-benzimidazol-1-yl)-1-phenyl-1-propanone",NA,"CC(C(=O)C1=CC=CC=C1)N2C3=CC=CC=C3N=C2C(=O)C","OTGBIUVFSAERSI-UHFFFAOYSA-N",384458,NA,"PDBC13701","674260","Present",NA,NA
+"13702","2-(2-Acetyl-1H-benzimidazol-1-yl)-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL257911",NA,"CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=CC=C3","FKGQXFATCKEKIR-UHFFFAOYSA-N",384454,NA,"PDBC13702","674256","Present",NA,NA
+"13703","2-(2-Acetyl-1H-pyrrol-1-yl)-1-(1H-pyrrol-2-yl)vinyl tert-butyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Acetyl-1H-pyrrol-1-yl)-1-(1H-pyrrol-2-yl)vinyl tert-butyl carbonate",NA,"CC(=O)C1=CC=CN1C=C(C2=CC=CN2)OC(=O)OC(C)(C)C","SSHJBBRAFONJSP-PTNGSMBKSA-N",3005359,NA,"PDBC13703","694953","Present",NA,NA
+"13704","2-(2-Acetyl-4-nitrophenoxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, (2-acetyl-4-nitrophenoxy)-",NA,"CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])OCC(=O)O","PSUXXDHFQIYRSL-UHFFFAOYSA-N",361681,NA,"PDBC13704","624899","Present",NA,NA
+"13705","2-(2-Acetylanilino)-N-(6-((2-acetylanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Acetylanilino)-N-(6-((2-acetylanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide",NA,"CC(=O)C1=CC=CC=C1NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)C","KOVFPJIWVIKHOP-UHFFFAOYSA-N",390413,NA,"PDBC13705","687767","Present",NA,NA
+"13706","2-(2-Acetylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Acetylbenzimidazol-1-yl)-1-(4-chlorophenyl)ethanone",NA,"CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)Cl","AABPSESTZLBZAJ-UHFFFAOYSA-N",384455,NA,"PDBC13706","674257","Present",NA,NA
+"13707","2-(2-Acetylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Acetylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone",NA,"CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)OC","SGPGEGNAZBZTRE-UHFFFAOYSA-N",384456,NA,"PDBC13707","674258","Present",NA,NA
+"13708","2-(2-Acetylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Acetylbenzimidazol-1-yl)-1-(4-nitrophenyl)ethanone",NA,"CC(=O)C1=NC2=CC=CC=C2N1CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","CZGLDORDWWTIHM-UHFFFAOYSA-N",384457,NA,"PDBC13708","674259","Present",NA,NA
+"13709","2-(2-Amino-3,4-dibromophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Amino-3,4-dibromophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;oxalic acid",NA,"CN(C1CCCCC1N2CCCC2)C(=O)CC3=C(C(=C(C=C3)Br)Br)N.C(=O)(C(=O)O)O","GNOMWXNFRWLJBL-MOGJOVFKSA-N",398439,NA,"PDBC13709","708138","Present",NA,NA
+"13710","2-(2-Amino-4,5-dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Amino-4,5-dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride",NA,"CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3N)Cl)Cl.Cl","UQRWYWBTGGCIOA-SZOUEMSFSA-N",54611452,NA,"PDBC13710","707817","Present",NA,NA
+"13711","2-(2-Amino-4,6-dibromophenyl)-3,5-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dibromo-4',6'-dimethylbiphenyl-2,2'-diamine",NA,"CC1=CC(=C(C(=C1)N)C2=C(C=C(C=C2Br)Br)N)C","GBOUZBGQEZQRIL-UHFFFAOYSA-N",238709,NA,"PDBC13711","43226","Present",NA,NA
+"13712","2-(2-Amino-4-benzyloxycarbonyl-butanoylamino)-pentanedioic acid 5-benzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Amino-4-benzyloxycarbonyl-butanoylamino)-pentanedioic acid 5-benzyl ester",NA,"C1=CC=C(C=C1)COC(=O)CCC(C(=O)NC(CCC(=O)OCC2=CC=CC=C2)C(=O)O)N","BCTGJPYINPEJTQ-UHFFFAOYSA-N",381818,NA,"PDBC13712","668891","Present",NA,NA
+"13713","2-(2-Amino-4-phenyl-4,5-dihydropyrimidin-6-yl)-6-bromo-4-chlorophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Amino-4-phenyl-4,5-dihydropyrimidin-6-yl)-6-bromo-4-chlorophenol",NA,"C1C(N=C(N=C1C2=C(C(=CC(=C2)Cl)Br)O)N)C3=CC=CC=C3","LHDPNKPECLCVAY-UHFFFAOYSA-N",359846,NA,"PDBC13713","621456","Present",NA,NA
+"13714","2-(2-Amino-4aH-pyrido[1,2-a]benzimidazol-5-yl)-1-morpholino-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Amino-4aH-pyrido[1,2-a]benzimidazol-5-yl)-1-morpholino-ethanone",NA,"C1COCCN1C(=O)CN2C3C=CC(=CN3C4=CC=CC=C42)N","IXPFODOGPITSNL-UHFFFAOYSA-N",392525,NA,"PDBC13714","693041","Present",NA,NA
+"13715","2-(2-Amino-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-7-ium-7-yl)-1-phenylethanone;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-7-(2-oxo-2-phenylethyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-7-ium bromide",NA,"C1=CC=C(C=C1)C2=CN3C(=[N+]2CC(=O)C4=CC=CC=C4)SC(=N3)N.[Br-]","HXZSXCVHLKVYIZ-UHFFFAOYSA-M",404049,NA,"PDBC13715","720145","Present",NA,NA
+"13716","2-(2-Amino-6-phenylpyrimidin-4-yl)-4-chlorophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Amino-6-phenylpyrimidin-4-yl)-4-chlorophenol",NA,"C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=C(C=CC(=C3)Cl)O","DYNWHSRNFPBNHN-UHFFFAOYSA-N",359840,NA,"PDBC13716","621449","Present",NA,NA
+"13717","2-(2-Amino-6-phenylpyrimidin-4-yl)-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Amino-6-phenylpyrimidin-4-yl)-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)C2=NC(=NC(=C2)C3=CC=CC=C3)N","YHQHVYBIZGDCBV-UHFFFAOYSA-N",386504,NA,"PDBC13717","678879","Present",NA,NA
+"13718","2-(2-Amino-6-phenylpyrimidin-4-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxyphenyl)-6-phenyl-2-pyrimidinamin",NA,"C1=CC=C(C=C1)C2=CC(=NC(=N2)N)C3=CC=CC=C3O","SXELSOZGQKZOPI-UHFFFAOYSA-N",359838,NA,"PDBC13718","621447","Present",NA,NA
+"13719","2-(2-Amino-6-sulfanyl-purin-7-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Amino-6-sulfanyl-purin-7-yl)ethanol",NA,"C1=NC2=C(N1CCO)C(=S)N=C(N2)N","WOZFOVPAOLINNT-UHFFFAOYSA-N",3004225,NA,"PDBC13719","637509","Present",NA,NA
+"13720","2-(2-Aminoanilino)benzoate;nickel(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Aminoanilino)benzoate;nickel(2+)",NA,"C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.[Ni+2]","QXMDIGWADNVSBM-UHFFFAOYSA-L",24202383,NA,"PDBC13720","646283","Present",NA,NA
+"13721","2-(2-Aminobenzoyl)-3-(2-methylphenyl)oxirane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Aminobenzoyl)-3-(2-methylphenyl)oxirane",NA,"CC1=CC=CC=C1C2C(O2)C(=O)C3=CC=CC=C3N","VFVLMFYFIQNUIR-UHFFFAOYSA-N",395567,NA,"PDBC13721","700273","Present",NA,NA
+"13722","2-(2-Aminoethyl)-3-(4-chlorophenyl)-1-isoindolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Aminoethyl)-3-(4-chlorophenyl)-1-isoindolinone",NA,"C1=CC=C2C(=C1)C(N(C2=O)CCN)C3=CC=C(C=C3)Cl","VHCPFFZVVQMAEG-UHFFFAOYSA-N",395643,NA,"PDBC13722","700425","Present",NA,NA
+"13723","2-(2-Aminoethyl)-5,6-dichloro-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Aminoethyl)-5,6-dichloro-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one;hydrochloride",NA,"C1=CC(=CC=C1C2(C3=CC(=C(C=C3C(=O)N2CCN)Cl)Cl)O)Cl.Cl","RYAWDFQYHACDTO-UHFFFAOYSA-N",403518,NA,"PDBC13723","718519","Present",NA,NA
+"13724","2-(2-Aminoethylamino)ethanol;2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxo-6-(2,3,4,5,6-pentahydroxyhexoxy)anthracene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Aminoethylamino)ethanol;2,5,7,8-tetrahydroxy-4-methyl-9,10-dioxo-6-(2,3,4,5,6-pentahydroxyhexoxy)anthracene-1-carboxylic acid",NA,"CC1=CC(=C(C2=C1C(=O)C3=C(C2=O)C(=C(C(=C3O)OCC(C(C(C(CO)O)O)O)O)O)O)C(=O)O)O.C(CNCCO)N","LONNPQYMWXMKTA-UHFFFAOYSA-N",368836,NA,"PDBC13724","640156","Present",NA,NA
+"13725","2-(2-Aminoethyldiselanyl)ethanamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SELENOCYSTAMINE DIHYDROCHLORIDE",NA,"C(C[Se][Se]CCN)N.Cl","PKRYDZYGNSZBHO-UHFFFAOYSA-N",16219946,NA,"PDBC13725","308820","Present",NA,NA
+"13726","2-(2-Aminoethylsulfanyl)-3-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Aminoethylsulfanyl)-3-phenyl-quinazolin-4-one",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCCN","QQKRHHIDYRJRSP-UHFFFAOYSA-N",391591,NA,"PDBC13726","691075","Present",NA,NA
+"13727","2-(2-Aminopropanamido)-N-(4-(5-bromopyrimidin-2-yloxy)-3-methylphenylcarbamoyl)benzamide, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-aminopropanamido)-N-(4-(5-bromopyrimidin-2-yloxy)-3...",NA,"CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)C(C)N)OC3=NC=C(C=N3)Br.Cl","OFZMGVFPIDGXSA-UHFFFAOYSA-N",375121,NA,"PDBC13727","654260","Present",NA,NA
+"13728","2-(2-Aminothiazol)methylene-5-(p-chlorophenoxy)methylenetria zolo[3,4-b]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Aminothiazol)methylene-5-(p-chlorophenoxy)methylene...",NA,"C1=CC(=CC=C1OCC2=NN=C3N2N=C(S3)CC4=CN=C(S4)N)Cl","VZEXKJJNZAYAHF-UHFFFAOYSA-N",405796,NA,"PDBC13728","723448","Present",NA,NA
+"13729","2-(2-Aminothiazol)methylene-5-methyltriazolo[3,4-b]thiadiazo le",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Aminothiazol)methylene-5-methyltriazolo[3,4-b]thiad...",NA,"CC1=NN=C2N1N=C(S2)CC3=CN=C(S3)N","AHLLKDBBXNCXHE-UHFFFAOYSA-N",405798,NA,"PDBC13729","723450","Present",NA,NA
+"13730","2-(2-Aminothiazol)methyleneBenzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Aminothiazol)methyleneBenzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)CC3=CN=C(S3)N","NJHXHBZEBYSFNI-UHFFFAOYSA-N",405794,NA,"PDBC13730","723446","Present",NA,NA
+"13731","2-(2-Anilino-6-chloro-7H-purin-7-yl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Anilino-6-chloro-7H-purin-7-yl)ethyl acetate",NA,"CC(=O)OCCN1C=NC2=C1C(=NC(=N2)NC3=CC=CC=C3)Cl","ZZJMWVLOJMGRNR-UHFFFAOYSA-N",385888,NA,"PDBC13731","677289","Present",NA,NA
+"13732","2-(2-Benzamido-6-sulfanyl-purin-7-yl)ethyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Benzamido-6-sulfanyl-purin-7-yl)ethyl benzoate",NA,"C1=CC=C(C=C1)C(=O)NC2=NC(=S)C3=C(N2)N=CN3CCOC(=O)C4=CC=CC=C4","LZXNVNAHWSNWGT-UHFFFAOYSA-N",3004224,NA,"PDBC13732","637508","Present",NA,NA
+"13733","2-(2-Benzimidazolylamino)-4-chloro-6-methylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5179AJ",NA,"CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3N2)Cl","FQNPYEONCHVKMK-UHFFFAOYSA-N",380614,NA,"PDBC13733","666289","Present",NA,NA
+"13734","2-(2-Benzoyl-1H-benzimidazol-1-yl)-1-(4-chlorophenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 2-(2-benzoyl-1H-benzimidazol-1-yl)- 1-(4-chlor...",NA,"C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)Cl","YTSSBNADZGMOBZ-UHFFFAOYSA-N",384460,NA,"PDBC13734","674262","Present",NA,NA
+"13735","2-(2-Benzoylbenzimidazol-1-yl)-1-(4-fluorophenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Benzoylbenzimidazol-1-yl)-1-(4-fluorophenyl)ethanone",NA,"C1=CC=C(C=C1)C(=O)C2=NC3=CC=CC=C3N2CC(=O)C4=CC=C(C=C4)F","UOMLSIXKPMPUQO-UHFFFAOYSA-N",45029093,NA,"PDBC13735","745451","Present",NA,NA
+"13736","2-(2-Benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Benzoylbenzimidazol-1-yl)-1-(4-methoxyphenyl)ethanone",NA,"COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=CC=C4","BLEYEEGLQQKZIS-UHFFFAOYSA-N",45029092,NA,"PDBC13736","745450","Present",NA,NA
+"13737","2-(2-Benzoylbenzimidazol-1-yl)-1-phenyl-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_030030",NA,"C1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=CC=C4","ZJUAZFQIZDHPIY-UHFFFAOYSA-N",384459,NA,"PDBC13737","674261","Present",NA,NA
+"13738","2-(2-Benzoylphenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-benzoylbiphenyl-2-carboxylic acid",NA,"C1=CC=C(C=C1)C(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)O","WAQLLKFBGYDVPQ-UHFFFAOYSA-N",414155,NA,"PDBC13738","55810","Present",NA,NA
+"13739","2-(2-Benzyl-4-iodophenoxy)-N,N-dimethylethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Benzyl-4-iodophenoxy)-N,N-dimethylethanamine;hydrochloride",NA,"CN(C)CCOC1=C(C=C(C=C1)I)CC2=CC=CC=C2.Cl","KBQURVFFJFNPIT-UHFFFAOYSA-N",5351139,NA,"PDBC13739","11930","Present",NA,NA
+"13740","2-(2-Bromo-4-methoxy-5-phenylmethoxyphenyl)-1,3-dioxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Bromo-4-methoxy-5-phenylmethoxyphenyl)-1,3-dioxane",NA,"COC1=C(C=C(C(=C1)Br)C2OCCCO2)OCC3=CC=CC=C3","VWFRTUVWZBXUBN-UHFFFAOYSA-N",359191,NA,"PDBC13740","619873","Present",NA,NA
+"13741","2-(2-Bromophenyl)-5-phenyl-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Bromophenyl)-5-phenyl-1,3-oxazole",NA,"C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=CC=C3Br","ACHQLEXCQKFTOV-UHFFFAOYSA-N",260020,NA,"PDBC13741","90862","Present",NA,NA
+"13742","2-(2-Butoxyethoxy)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Butoxyethoxy)naphthazarin",NA,"CCCCOCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","GSNJNWOTIIWHAL-UHFFFAOYSA-N",378624,NA,"PDBC13742","661417","Present",NA,NA
+"13743","2-(2-Carboxy-1-hydroxy-1-(1-naphthyl)ethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Carboxy-1-hydroxy-1-(1-naphthyl)ethyl)benzoic acid",NA,"C1=CC=C2C(=C1)C=CC=C2C(CC(=O)O)(C3=CC=CC=C3C(=O)O)O","PJMRXAQGJOMRKW-UHFFFAOYSA-N",362061,NA,"PDBC13743","625583","Present",NA,NA
+"13744","2-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)benzoic acid",NA,"C1CC2=C(C1)C=C(C=C2)CC(CC3=CC=CC=C3C(=O)O)C(=O)O","DSPCLPBEUDYEHB-UHFFFAOYSA-N",382644,NA,"PDBC13744","670292","Present",NA,NA
+"13745","2-(2-Carboxy-3-(2-methylphenyl)propyl)-5-methylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Carboxy-3-(2-methylphenyl)propyl)-5-methylbenzoic acid",NA,"CC1=CC(=C(C=C1)CC(CC2=CC=CC=C2C)C(=O)O)C(=O)O","POVNCUGONRRCTM-UHFFFAOYSA-N",385637,NA,"PDBC13745","676984","Present",NA,NA
+"13746","2-(2-Carboxy-3-(3-methylphenyl)propyl)-3-methylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Carboxy-3-(3-methylphenyl)propyl)-3-methylbenzoic acid",NA,"CC1=CC(=CC=C1)CC(CC2=C(C=CC=C2C(=O)O)C)C(=O)O","ICZRJOLIWLCKTE-UHFFFAOYSA-N",385639,NA,"PDBC13746","676986","Present",NA,NA
+"13747","2-(2-Carboxy-3-(3-methylphenyl)propyl)-5-methylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Carboxy-3-(3-methylphenyl)propyl)-5-methylbenzoic acid",NA,"CC1=CC(=CC=C1)CC(CC2=C(C=C(C=C2)C)C(=O)O)C(=O)O","UORQVXASCFXXRA-UHFFFAOYSA-N",385638,NA,"PDBC13747","676985","Present",NA,NA
+"13748","2-(2-Carboxy-3-(4-methylphenyl)propyl)-5-methylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Carboxy-3-(4-methylphenyl)propyl)-5-methylbenzoic acid",NA,"CC1=CC=C(C=C1)CC(CC2=C(C=C(C=C2)C)C(=O)O)C(=O)O","YUWPPKJINGFRLR-UHFFFAOYSA-N",385645,NA,"PDBC13748","676992","Present",NA,NA
+"13749","2-(2-Carboxy-3-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl)-5,6,7,8-tetrahydro-1-naphthalenecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-Hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-5-carboxylic acid",NA,"C1CCC2=C(C1)C=CC(=C2)CC(CC3=C(C4=C(CCCC4)C=C3)C(=O)O)C(=O)O","AARDSHRCKCKLNM-UHFFFAOYSA-N",385652,NA,"PDBC13749","676998","Present",NA,NA
+"13750","2-(2-Chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)cyclopentanone",NA,"C1CC(C(=O)C1)C(C(F)(F)Cl)(C(F)(F)Cl)O","WFPLLXTYUHZDIL-UHFFFAOYSA-N",377629,NA,"PDBC13750","659208","Present",NA,NA
+"13751","2-(2-Chloro-10H-phenothiazin-10-yl)-1-methylethyl methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloro-10H-phenothiazin-10-yl)-1-methylethyl methylcarbamate",NA,"CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)OC(=O)NC","MYSHPSQZNPPJAC-UHFFFAOYSA-N",379210,NA,"PDBC13751","663621","Present",NA,NA
+"13752","2-(2-Chloro-2,2-difluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloro-2,2-difluoro-1-hydroxy-1-(trifluoromethyl)ethyl)cyclohexanone",NA,"C1CCC(=O)C(C1)C(C(F)(F)F)(C(F)(F)Cl)O","MLRKHYPTNSFPMJ-UHFFFAOYSA-N",377628,NA,"PDBC13752","659207","Present",NA,NA
+"13753","2-(2-Chloro-2-(4-methoxyphenyl)vinyl)-1,4-dimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloro-2-(4-methoxyphenyl)vinyl)-1,4-dimethoxybenzene",NA,"COC1=CC=C(C=C1)C(=CC2=C(C=CC(=C2)OC)OC)Cl","LNPPLMDIUJGMKI-WJDWOHSUSA-N",5467559,NA,"PDBC13753","655912","Present",NA,NA
+"13754","2-(2-Chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloro-4,5-dimethoxyphenyl)-1-(1H-indol-3-yl)ethanone",NA,"COC1=C(C=C(C(=C1)CC(=O)C2=CNC3=CC=CC=C32)Cl)OC","ODTNOZBHVIUBQB-UHFFFAOYSA-N",266625,NA,"PDBC13754","105348","Present",NA,NA
+"13755","2-(2-Chloro-4-(4-chlorobenzoyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloro-4-(4-chlorobenzoyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide",NA,"CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=C(C=C(C=C2)C(=O)C3=CC=C(C=C3)Cl)Cl","LLUOFIFTMAKKFX-UHFFFAOYSA-N",375239,NA,"PDBC13755","654628","Present",NA,NA
+"13756","2-(2-Chloro-4-(4-chlorobenzoyl)phenoxy)-N-(2-(dimethylamino)ethyl)-2-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanamide, 2-[4-[[4-chlorophenyl]carbonyl]-2-chlorophe...",NA,"CC(C)(C(=O)NCCN(C)C)OC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Cl)Cl","OFXHVBRKCHCHNV-UHFFFAOYSA-N",378555,NA,"PDBC13756","661193","Present",NA,NA
+"13757","2-(2-Chloro-5-methylpyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloro-5-methyl-pyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile",NA,"CC1=CN=C(N=C1C(C#N)C2=NC3=CC=CC=C3N2C)Cl","CLPPLRDNIDGYIK-UHFFFAOYSA-N",395227,NA,"PDBC13757","699702","Present",NA,NA
+"13758","2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=C(C=CC(=C5)[N+](=O)[O-])Cl","RFDIQYMVHMNYQP-UHFFFAOYSA-N",359758,NA,"PDBC13758","621199","Present",NA,NA
+"13759","2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloro-5-nitrophenyl)-4-naphthalen-1-yl-2,3-dihydro-1lambda4,5-benzothiazepine 1-oxide",NA,"C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=C(C=CC(=C5)[N+](=O)[O-])Cl","YSEGBBFOGYVBHK-UHFFFAOYSA-N",359788,NA,"PDBC13759","621352","Present",NA,NA
+"13760","2-(2-Chloro-benzenesulfonylimino)-imidazolidine-1-carbodithi oic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloro-benzenesulfonylimino)-imidazolidine-1-carbod...",NA,"C1CN(C(=N1)NS(=O)(=O)C2=CC=CC=C2Cl)C(=S)SN3CCN4C3=NSC4=S","AVPKOUBDQYTMQB-UHFFFAOYSA-N",16038016,NA,"PDBC13760","736213","Present",NA,NA
+"13761","2-(2-Chloro-phenyl)-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3Cl)NC4C(C(C(C(O4)CO)O)O)O","RIQNUVCVXCAYSG-UHFFFAOYSA-N",363483,NA,"PDBC13761","628407","Present",NA,NA
+"13762","2-(2-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC=CC=C4Cl","UEUHRGKNDXZHEK-UHFFFAOYSA-N",376430,NA,"PDBC13762","657344","Present",NA,NA
+"13763","2-(2-Chloroanilino)-N-(6-((2-chloroanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloroanilino)-N-(6-((2-chloroanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3Cl)C(=O)N1NC(=O)CNC4=CC=CC=C4Cl","NXZCMAIRSLSCGG-UHFFFAOYSA-N",390406,NA,"PDBC13763","687760","Present",NA,NA
+"13764","2-(2-Chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-d]thiazole-4,9-dione, 2-[(2-chlorophenyl)ami...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=CC=C4Cl","MWTDGRMJCUEONW-UHFFFAOYSA-N",364768,NA,"PDBC13764","631527","Present",NA,NA
+"13765","2-(2-Chlorobenzoyl)-1,2-benzoxazol-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorobenzoyl)-1,2-benzoxazol-3(2H)-one",NA,"C1=CC=C2C(=C1)C(=O)N(O2)C(=O)C3=CC=CC=C3Cl","VPKRUUBMQCMKER-UHFFFAOYSA-N",337441,NA,"PDBC13765","355375","Present",NA,NA
+"13766","2-(2-Chlorobenzyl)-3(2H)-cinnolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorobenzyl)-3(2H)-cinnolinone",NA,"C1=CC=C(C(=C1)CN2C(=O)C=C3C=CC=CC3=N2)Cl","JIHLCXYLSJAYDC-UHFFFAOYSA-N",368581,NA,"PDBC13766","639677","Present",NA,NA
+"13767","2-(2-Chlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorobenzyl)-3,5,6-trimethyl-2H-indazole-7-carboxylic acid",NA,"CC1=CC2=C(N(N=C2C(=C1C)C(=O)O)CC3=CC=CC=C3Cl)C","IXXFLAKDQPJDHC-UHFFFAOYSA-N",367595,NA,"PDBC13767","637427","Present",NA,NA
+"13768","2-(2-Chlorobenzyl)succinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorobenzyl)succinic acid",NA,"C1=CC=C(C(=C1)CC(CC(=O)O)C(=O)O)Cl","FTJBLTIWNBZCRC-UHFFFAOYSA-N",228095,NA,"PDBC13768","20707","Present",NA,NA
+"13769","2-(2-Chloroethoxy)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-chloroethoxy)naphthazarin",NA,"C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)OCCCl)O","PBJMPXQYIFEZNK-UHFFFAOYSA-N",378770,NA,"PDBC13769","661940","Present",NA,NA
+"13770","2-(2-Chloroethyl)-3-methyl-1-((triphenylphosphoranylidene)amino)pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloroethyl)-3-methyl-1-[(triphenyl-lambda5-phosphanylidene)amino]pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCCl)N=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C#N","JTCOKXBPQAUCQI-UHFFFAOYSA-N",377274,NA,"PDBC13770","658527","Present",NA,NA
+"13771","2-(2-Chloroethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloroethyl)-3-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCCl","HNKIYCZXANRAMC-UHFFFAOYSA-N",377271,NA,"PDBC13771","658524","Present",NA,NA
+"13772","2-(2-Chlorophenoxy)-N-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenoxy)-N-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)propanamide",NA,"CC(C(=O)NN1C(=O)CC(=O)NC1=S)OC2=CC=CC=C2Cl","GVMHPIOEAXNNKO-UHFFFAOYSA-N",5470729,NA,"PDBC13772","704801","Present",NA,NA
+"13773","2-(2-Chlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenoxy)-N-(4,6-dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)propanamide",NA,"CC(C(=O)NN1C(=O)CC(=O)N(C1=S)C2=CC=CC=C2)OC3=CC=CC=C3Cl","CJOACCOOSXUUFU-UHFFFAOYSA-N",397266,NA,"PDBC13773","704794","Present",NA,NA
+"13774","2-(2-Chlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide",NA,"CC(C(=O)NN1C(SCC1=O)C2=CC=CC=C2)OC3=CC=CC=C3Cl","UGFCCGKPYLFONG-UHFFFAOYSA-N",397257,NA,"PDBC13774","704785","Present",NA,NA
+"13775","2-(2-Chlorophenoxy)-N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenoxy)-N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide",NA,"CC(C(=O)NN1C(SCC1=O)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3Cl","MMOJOYYBEUMETD-UHFFFAOYSA-N",397259,NA,"PDBC13775","704787","Present",NA,NA
+"13776","2-(2-Chlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenoxy)-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanamide",NA,"CC(C(=O)NN1C(SCC1=O)C2=CC=C(C=C2)OC)OC3=CC=CC=C3Cl","NFCNCVXOSGLPQP-UHFFFAOYSA-N",397258,NA,"PDBC13776","704786","Present",NA,NA
+"13777","2-(2-Chlorophenoxy)-N-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenoxy)-N-[3-(4-chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide",NA,"CC(C(=O)NN1C(=O)CC(=O)N(C1=S)C2=CC=C(C=C2)Cl)OC3=CC=CC=C3Cl","VBIXKRWOKIDSTJ-UHFFFAOYSA-N",397267,NA,"PDBC13777","704795","Present",NA,NA
+"13778","2-(2-Chlorophenyl)-2,3-dihydro-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinazolinone, 2-(2-chlorophenyl)-2,3-dihydro-",NA,"C1=CC=C(C(=C1)C2NC3=CC=CC=C3C(=O)N2)Cl","YTAHHRUYKJSTCG-UHFFFAOYSA-N",300570,NA,"PDBC13778","175633","Present",NA,NA
+"13779","2-(2-Chlorophenyl)-3(2H)-cinnolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenyl)-3(2H)-cinnolinone",NA,"C1=CC=C(C(=C1)N2C(=O)C=C3C=CC=CC3=N2)Cl","QEVBOLYDGREUQX-UHFFFAOYSA-N",368583,NA,"PDBC13779","639679","Present",NA,NA
+"13780","2-(2-Chlorophenyl)-3-[5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Triazol-2-yl-methyl-2-[2?,(2??-chlorophenyl)-thiazolid...",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2Cl)C3=NN=C(O3)CN4C=NN=C4","YXGDFKBSAOSCJC-UHFFFAOYSA-N",45029357,NA,"PDBC13780","746513","Present",NA,NA
+"13781","2-(2-Chlorophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3Cl)C4=NN=C(S4)C(F)(F)F","GWKFUYINVWYZCH-UHFFFAOYSA-N",330525,NA,"PDBC13781","319460","Present",NA,NA
+"13782","2-(2-Chlorophenyl)-4,5-bis(trifluoromethyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenyl)-4,5-bis(trifluoromethyl)-1H-imidazole",NA,"C1=CC=C(C(=C1)C2=NC(=C(N2)C(F)(F)F)C(F)(F)F)Cl","KQEHUOWAXACTLJ-UHFFFAOYSA-N",357611,NA,"PDBC13782","617135","Present",NA,NA
+"13783","2-(2-Chlorophenyl)-4-phenyl-2,3-benzodiazocin-1(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chlorophenyl)-4-phenyl-2,3-benzodiazocin-1(2H)-one",NA,"C1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C3C=C2)C4=CC=CC=C4Cl","ZAROSUOTGVTDJF-DDDDRTNFSA-N",9571516,NA,"PDBC13783","676437","Present",NA,NA
+"13784","2-(2-Chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-...",NA,"CN1CCC(C(C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O","BIIVYFLTOXDAOV-UHFFFAOYSA-N",5466794,NA,"PDBC13784","642740","Present",NA,NA
+"13785","2-(2-Chlorophenyl)-N-(2-methylpropyl)quinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-isobutyl-2-(2-chlorophenyl)-4-quinazolinamine 2-(2-ch...",NA,"CC(C)CNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3Cl","KGTBIDTZMFCMBK-UHFFFAOYSA-N",727473,NA,"PDBC13785","727896","Present",NA,NA
+"13786","2-(2-Cyclohexylethyl)-5-chlorobenzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Cyclohexylethyl)-5-chlorobenzoxazole",NA,"C1CCC(CC1)CCC2=NC3=C(O2)C=CC(=C3)Cl","ICDWPKGFAQYKRM-UHFFFAOYSA-N",401574,NA,"PDBC13786","715269","Present",NA,NA
+"13787","2-(2-Dimethylaminoethylamino)-4,6-bis(2-thienyl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-diThien-2-yl-2-NHEtNMe2-Pyr",NA,"CN(C)CCNC1=NC(=CC(=N1)C2=CC=CS2)C3=CC=CS3","BGOGHNWIVJZOSC-UHFFFAOYSA-N",148142,NA,"PDBC13787","619010","Present",NA,NA
+"13788","2-(2-Ethoxy-1,5,6-trimethoxyphenanthren-4-yl)ethyl-trimethylazanium;methyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Ethoxy-1,5,6-trimethoxyphenanthren-4-yl)ethyl-trimethylazanium;methyl sulfate",NA,"CCOC1=C(C2=C(C(=C1)CC[N+](C)(C)C)C3=C(C=C2)C=CC(=C3OC)OC)OC.COS(=O)(=O)[O-]","DBRTWHYKJDTQOD-UHFFFAOYSA-M",24201960,NA,"PDBC13788","611267","Present",NA,NA
+"13789","2-(2-Ethoxy-1-naphthylamino)-2-oxazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100731",NA,"CCOC1=C(C2=CC=CC=C2C=C1)NC3=NCCO3","VNZRSIDFGDZTFD-UHFFFAOYSA-N",379569,NA,"PDBC13789","664255","Present",NA,NA
+"13790","2-(2-Ethoxy-phenyl)-naphtho[2,3-d]thiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Ethoxy-phenyl)-naphtho[2,3-d]thiazole-4,9-dione",NA,"CCOC1=CC=CC=C1C2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","GOUFDSJOPONWJD-UHFFFAOYSA-N",377057,NA,"PDBC13790","658272","Present",NA,NA
+"13791","2-(2-Ethoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1h)-quinazolinone, 2-(2-ethoxyphenyl)-2,3-dihydro-",NA,"CCOC1=CC=CC=C1C2NC3=CC=CC=C3C(=O)N2","DQLSLPJRMDWSKV-UHFFFAOYSA-N",292560,NA,"PDBC13791","158389","Present",NA,NA
+"13792","2-(2-Ethyl-6-propan-2-ylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Ethyl-6-propan-2-ylanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione;perchlorate",NA,"CCC1=C(C(=CC=C1)C(C)C)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=C(C=C4)C.[O-]Cl(=O)(=O)=O","ZMTCPDWBWZPDAG-UHFFFAOYSA-N",24202023,NA,"PDBC13792","618659","Present",NA,NA
+"13793","2-(2-Ethylsulfanylacetyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Ethylsulfanylacetyl)-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one",NA,"CCSCC(=O)N1CCC2=C(C1=O)NC3=CC=CC=C23","ISFWVQVTMBDRCW-UHFFFAOYSA-N",397437,NA,"PDBC13793","705295","Present",NA,NA
+"13794","2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine 1,1-dioxide",NA,"C1C(NC2=CC=CC=C2S(=O)(=O)C1C3=CC=CC=C3F)C4=CC5=CC=CC=C5C=C4","SYCYJRTVAZFXCY-UHFFFAOYSA-N",364780,NA,"PDBC13794","631539","Present",NA,NA
+"13795","2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5F","WXTPJZLDXSZFPY-UHFFFAOYSA-N",359787,NA,"PDBC13795","621351","Present",NA,NA
+"13796","2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Fluorophenyl)-4-(2-naphthyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,"C1C(S(=O)C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5F","ZRQRKPMINIZJOZ-UHFFFAOYSA-N",364773,NA,"PDBC13796","631532","Present",NA,NA
+"13797","2-(2-Fluorophenyl)-5,7-dimethoxy-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Fluorophenyl)-5,7-dimethoxy-1H-quinolin-4-one",NA,"COC1=CC2=C(C(=C1)OC)C(=O)C=C(N2)C3=CC=CC=C3F","YIHGHKXHZNIWTL-UHFFFAOYSA-N",391312,NA,"PDBC13797","690275","Present",NA,NA
+"13798","2-(2-Fluorophenyl)-6,7-dimethoxy-3,4-dihydroquinazoline-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Fluorophenyl)-6,7-dimethoxy-1H-quinazolin-4-one",NA,"COC1=C(C=C2C(=C1)C(=O)NC(=N2)C3=CC=CC=C3F)OC","XBRGEODPHAXHBK-UHFFFAOYSA-N",135489884,NA,"PDBC13798","690278","Present",NA,NA
+"13799","2-(2-Fluorophenyl)-6-(pyrrolidin-1-yl)quinolin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2''-fluorophenyl)-6-pyrolinyl-4-(1H)-quinolone",NA,"C1CCN(C1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4F","KFKXUFWYUQWHNT-UHFFFAOYSA-N",391311,NA,"PDBC13799","690274","Present",NA,NA
+"13800","2-(2-Furyl)-2-hydroxy-1-(3-hydroxy-2-quinoxalinyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Furyl)-2-hydroxy-1-(3-hydroxy-2-quinoxalinyl)ethanone",NA,"C1=CC=C2C(=C1)NC(=O)C(=N2)C(=O)C(C3=CC=CO3)O","DZQUYVCORFMJPN-UHFFFAOYSA-N",372451,NA,"PDBC13800","647576","Present",NA,NA
+"13801","2-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4a,7a-dihydro-4h-furo[3,4-b]pyridine-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4a,7a-dihydro-4h-furo[3,4-b]pyridine-5,7-dione",NA,"C1=CC=C(C(=C1)C2C=C(N(C3C2C(=O)OC3=O)C4=CC=NC=C4)C5=CC=CO5)[N+](=O)[O-]","DFISPJSMZMAQTE-UHFFFAOYSA-N",392301,NA,"PDBC13801","692577","Present",NA,NA
+"13802","2-(2-Furylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-furylcarboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophe...",NA,"C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CO3)C(=O)O","LHKGDPIDTTUWLQ-UHFFFAOYSA-N",723177,NA,"PDBC13802","730204","Present",NA,NA
+"13803","2-(2-Heptadecyl-5,5-dimethyl-4H-imidazol-3-yl)-2-methylpropan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1h-imidazol-1-yl)-2-methylpropan-1-ol",NA,"CCCCCCCCCCCCCCCCCC1=NC(CN1C(C)(C)CO)(C)C","WVQBZUKUDNIVMK-UHFFFAOYSA-N",226869,NA,"PDBC13803","17762","Present",NA,NA
+"13804","2-(2-Heptadecyl-5,5-dimethyl-4H-imidazol-3-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Heptadecyl-4,4-dimethyl-4,5-dihydro-1H-imidazol-1-yl)ethanol",NA,"CCCCCCCCCCCCCCCCCC1=NC(CN1CCO)(C)C","HRLDXKYLDOLMBF-UHFFFAOYSA-N",226864,NA,"PDBC13804","17754","Present",NA,NA
+"13805","2-(2-Hexahydro-1-pyrazinylethyl)-6-[4-[2-(2-hexahydro-1-pyra zinylethyl)-1,3-dihydro-1H-benzo[de]isoquinolin-6-yl]hexahydro-1-pyrazinyl}-2,3-dihyudro-1H-benzo[de]isoquinol ine-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-hexahydro-1-pyrazinylethyl)-6-[4-[2-(2-hexahydro-1-...",NA,"C1CN(CCN1)CCN2C(=O)C3=C4C(=C(C=C3)N5CCN(CC5)C6=C7C=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCN9CCNCC9)C=CC=C4C2=O","ACJSPSJJRDOWBP-UHFFFAOYSA-N",24205463,NA,"PDBC13805","735821","Present",NA,NA
+"13806","2-(2-Hexylpiperidin-1-yl)-1,2-diphenylethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hexylpiperidin-1-yl)-1,2-diphenylethanol;hydrochloride",NA,"CCCCCCC1CCCCN1C(C2=CC=CC=C2)C(C3=CC=CC=C3)O.Cl","XRSZIOGRVNBEDJ-UHFFFAOYSA-N",54609389,NA,"PDBC13806","36704","Present",NA,NA
+"13807","2-(2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethylidene)hydrazinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-[2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]guanidine",NA,"C1=CC(=CC=C1C(C(=NN=C(N)N)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)[N+](=O)[O-]","BNYLDSTYMGXKHZ-LPYMAVHISA-N",135499166,NA,"PDBC13807","641613","Present",NA,NA
+"13808","2-(2-Hydroxy-1-methylethyl)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3,5-naphthalenetriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxy-1-methylethyl)-4a,8-dimethyl-1,2,3,4,4a,5,6,7-octahydro-1,3,5-naphthalenetriol",NA,"CC1=C2C(C(C(CC2(C(CC1)O)C)O)C(C)CO)O","XYGKENPRHUXDKU-UHFFFAOYSA-N",363771,NA,"PDBC13808","628978","Present",NA,NA
+"13809","2-(2-Hydroxy-1-naphthyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-028248",NA,"C1=CC=C2C(=C1)C=CC(=C2CC(=O)O)O","JXCXDZUOPZXGIA-UHFFFAOYSA-N",294566,NA,"PDBC13809","163339","Present",NA,NA
+"13810","2-(2-Hydroxy-1-phenylindol-3-yl)indol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxy-1-phenylindol-3-yl)indol-3-one",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C2O)C4=NC5=CC=CC=C5C4=O","CCSRIMOXXXGPEB-UHFFFAOYSA-N",403161,NA,"PDBC13810","717812","Present",NA,NA
+"13811","2-(2-Hydroxy-2-(4-pyridinyl)vinyl)-3,6-diphenyl-4(3H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxy-2-(4-pyridinyl)vinyl)-3,6-diphenyl-4(3H)-pyrimidinone",NA,"C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)C=C(C3=CC=NC=C3)O)C4=CC=CC=C4","ZNGDKKCACHZZCK-PGMHBOJBSA-N",135510107,NA,"PDBC13811","632906","Present",NA,NA
+"13812","2-(2-Hydroxy-3,4-dihydro-1H-naphthalen-2-yl)-N,N-bis[(4-methoxyphenyl)methyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxy-3,4-dihydro-1H-naphthalen-2-yl)-N,N-bis[(4-methoxyphenyl)methyl]acetamide",NA,"COC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OC)C(=O)CC3(CCC4=CC=CC=C4C3)O","SXPDMOSAXIIXHD-UHFFFAOYSA-N",393629,NA,"PDBC13812","695837","Present",NA,NA
+"13813","2-(2-Hydroxy-3-morpholino-propyl)sulfanyl-4-morpholino-6-phenyl-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxy-3-morpholino-propyl)sulfanyl-4-morpholino-6-phenyl-pyrimidine-5-carbonitrile",NA,"C1COCCN1CC(CSC2=NC(=C(C(=N2)N3CCOCC3)C#N)C4=CC=CC=C4)O","XVBPHNRNGMNJTB-UHFFFAOYSA-N",45028927,NA,"PDBC13813","744860","Present",NA,NA
+"13814","2-(2-Hydroxy-4-(methoxymethoxy)phenyl)-6-(methoxymethoxy)-3-methyl-2,3-dihydro-1-benzofuran-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxy-4-(methoxymethoxy)phenyl)-6-(methoxymethoxy)-3-methyl-2,3-dihydro-1-benzofuran-2-ol",NA,"CC1C2=C(C=C(C=C2)OCOC)OC1(C3=C(C=C(C=C3)OCOC)O)O","AFZNGIUUSDOHOB-UHFFFAOYSA-N",377465,NA,"PDBC13814","658922","Present",NA,NA
+"13815","2-(2-Hydroxy-5-propan-2-yl-1H-indol-3-yl)indol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxy-5-propan-2-yl-1H-indol-3-yl)indol-3-one",NA,"CC(C)C1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O","DLVGCKBWPUCTRQ-UHFFFAOYSA-N",403174,NA,"PDBC13815","717827","Present",NA,NA
+"13816","2-(2-Hydroxybenzoyl)-2-methyl-N-propyl-4-pentenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxybenzoyl)-2-methyl-N-propyl-4-pentenamide",NA,"CCCNC(=O)C(C)(CC=C)C(=O)C1=CC=CC=C1O","JDEUOAGGIIUPEU-UHFFFAOYSA-N",362781,NA,"PDBC13816","627058","Present",NA,NA
+"13817","2-(2-Hydroxycyclohexyl)sulfanylethylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxycyclohexyl)sulfanylethylurea",NA,"C1CCC(C(C1)O)SCCNC(=O)N","LPJFDYCMMGHABD-UHFFFAOYSA-N",252277,NA,"PDBC13817","73827","Present",NA,NA
+"13818","2-(2-Hydroxyethyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxyethyl)-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one",NA,"C1CNC2=NN(C(=O)N2C1)CCO","VBBHCNJXARGZNC-UHFFFAOYSA-N",385166,NA,"PDBC13818","676173","Present",NA,NA
+"13819","2-(2-Hydroxyethyl)-2,3-dimethyl-1-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxyethyl)-2,3-dimethyl-1-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=C(C2=NC3=CC=CC=C3N2C(=O)C1(C)CCO)C#N","NGYLOTNRXJUIJP-UHFFFAOYSA-N",380600,NA,"PDBC13819","666275","Present",NA,NA
+"13820","2-(2-Hydroxyethyl)-6-(4-imidazol-1-ylphenyl)pyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3(2H)-Pyridazinone, 2-(2-hydroxyethyl)-6-[4-(1H-imidazol...",NA,"C1=CC(=CC=C1C2=NN(C(=O)C=C2)CCO)N3C=CN=C3","AAVUSVRIMQSDMX-UHFFFAOYSA-N",377336,NA,"PDBC13820","658773","Present",NA,NA
+"13821","2-(2-Hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxyethyl)-8-(4-methoxyphenyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one",NA,"COC1=CC=C(C=C1)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO","WNGNHYKRYHCSIR-UHFFFAOYSA-N",54579201,NA,"PDBC13821","751502","Present",NA,NA
+"13822","2-(2-Hydroxyethylsulfanyl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 2-[(2-hydroxyethyl)thio]-",NA,"C1=CC=C2C(=C1)C(=O)C=C(C2=O)SCCO","IBLOZMPODBITIK-UHFFFAOYSA-N",288087,NA,"PDBC13822","148596","Present",NA,NA
+"13823","2-(2-Hydroxynaphthalen-1-yl)-3-[6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxynaphthalen-1-yl)-3-[6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl]-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=C(C=CC3=CC=CC=C32)O)N4C(=O)C(=NNC4=S)C=CC5=C(C=CC6=CC=CC=C65)O","HSYNAUWLYUEBBP-VAWYXSNFSA-N",135436155,NA,"PDBC13823","710579","Present",NA,NA
+"13824","2-(2-Hydroxyphenyl)-3,5-diphenyl-thiazol-3-ium-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxyphenyl)-3,5-diphenyl-thiazol-3-ium-4-ol",NA,"C1=CC=C(C=C1)C2=C(N(C(=C3C=CC=CC3=O)S2)C4=CC=CC=C4)O","RIXGWUCSULWELK-FXBPSFAMSA-N",5387865,NA,"PDBC13824","628696","Present",NA,NA
+"13825","2-(2-Hydroxyphenyl)-3-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxyphenyl)-3-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=CC=C7O","LSMLQEZFWSGCQA-UHFFFAOYSA-N",398513,NA,"PDBC13825","708424","Present",NA,NA
+"13826","2-(2-Hydroxyphenyl)-3-[5-(1H-imidazol-1-ylmethyl)-1,4-oxadiazol-2-yl]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-hydroxyphenyl)-3-[5-(1H-imidazol-1-ylmethyl)-1,3,4-...",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=NN=C(O3)CN4C=CN=C4","WTLBLYDIWFKBIH-UHFFFAOYSA-N",54613708,NA,"PDBC13826","750493","Present",NA,NA
+"13827","2-(2-Hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxyphenyl)-7-methoxy-2,3-dihydro-4H-chromen-4-one",NA,"COC1=CC2=C(C=C1)C(=O)CC(O2)C3=CC=CC=C3O","ZZXXFILYXOTTJG-UHFFFAOYSA-N",371219,NA,"PDBC13827","645268","Present",NA,NA
+"13828","2-(2-Hydroxyphenyl)quinoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK409516",NA,"C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CC=C3O)C(=O)O","CLNACIFBPMMXKX-UHFFFAOYSA-N",371223,NA,"PDBC13828","645280","Present",NA,NA
+"13829","2-(2-Hydroxypropyl)-5,7-dimethoxy-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxypropyl)-5,7-dimethoxynaphthalene-1,4-dione",NA,"CC(CC1=CC(=O)C2=C(C1=O)C=C(C=C2OC)OC)O","VYRGVJGVZIRPIM-UHFFFAOYSA-N",372270,NA,"PDBC13829","647326","Present",NA,NA
+"13830","2-(2-Imidazolin-2-yl)-4,5-dimethyl-2H-pyrazol-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dihydro-1H-imidazol-2-yl)-4,5-dimethyl-1H-pyrazol-3-one",NA,"CC1=C(NN(C1=O)C2=NCCN2)C","VLCFIAATYYGCTE-UHFFFAOYSA-N",388450,NA,"PDBC13830","683377","Present",NA,NA
+"13831","2-(2-Imidazolin-2-yl)-4-benzyl-5-phenyl-2H-pyrazol-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-5-phenyl-1H-pyrazol-3-one",NA,"C1CN=C(N1)N2C(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4","IEUSQMCWPYYRIS-UHFFFAOYSA-N",388453,NA,"PDBC13831","683380","Present",NA,NA
+"13832","2-(2-Imidazolin-2-yl)-5-methyl-4-benzyl-2H-pyrazol-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-1H-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1)C2=NCCN2)CC3=CC=CC=C3","JAZICFYECITCCJ-UHFFFAOYSA-N",388451,NA,"PDBC13832","683378","Present",NA,NA
+"13833","2-(2-Imino-4-methyl-benzo[h]chromene-3-carboximidoyl)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Imino-4-methyl-benzo[h]chromene-3-carboximidoyl)propanedinitrile",NA,"CC1=C(C(=N)OC2=C1C=CC3=CC=CC=C32)C(=N)C(C#N)C#N","WJQVJKAILFHHJV-UHFFFAOYSA-N",332834,NA,"PDBC13833","332186","Present",NA,NA
+"13834","2-(2-Iodo-3,4,5-trimethoxyphenyl)-2-methyl-1,3-dithiane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Iodo-3,4,5-trimethoxyphenyl)-2-methyl-1,3-dithiane",NA,"CC1(SCCCS1)C2=CC(=C(C(=C2I)OC)OC)OC","DTRRWXMNPYMTEC-UHFFFAOYSA-N",372303,NA,"PDBC13834","647362","Present",NA,NA
+"13835","2-(2-Isonicotinoylhydrazino)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Isonicotinoylhydrazino)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide",NA,"C1=CN=CC=C1C(=O)NNC(=O)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl","WRDZXZSWMZLQAZ-UHFFFAOYSA-N",372889,NA,"PDBC13835","648601","Present",NA,NA
+"13836","2-(2-Mercaptoanilino)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Mercaptoanilino)benzonitrile",NA,"C1=CC=C(C(=C1)C#N)NC2=CC=CC=C2S","DANJNCZFHIQPFN-UHFFFAOYSA-N",366234,NA,"PDBC13836","634570","Present",NA,NA
+"13837","2-(2-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one",NA,"CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=CC=C3OC)C","OFDKYUNSSDGJFN-UHFFFAOYSA-N",5468701,NA,"PDBC13837","674683","Present",NA,NA
+"13838","2-(2-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4-ol",NA,"CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC=C3OC","XIXVOSMVHPVEEW-UHFFFAOYSA-N",385189,NA,"PDBC13838","676193","Present",NA,NA
+"13839","2-(2-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3OC","HEFSDKCWCBOPGI-UHFFFAOYSA-N",5468700,NA,"PDBC13839","674682","Present",NA,NA
+"13840","2-(2-Methoxyanilino)-N-(6-((2-methoxyanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyanilino)-N-(6-((2-methoxyanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3OC)C(=O)N1NC(=O)CNC4=CC=CC=C4OC","WRGTZHNGLZYYFR-UHFFFAOYSA-N",390404,NA,"PDBC13840","687758","Present",NA,NA
+"13841","2-(2-Methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyethoxy)-4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyridine",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC2=NC(=CC(=C2)C)OCCOC)C","HNRHZJAVVSLQCH-XYJQQDCNSA-N",5387556,NA,"PDBC13841","624509","Present",NA,NA
+"13842","2-(2-Methoxyethyl)-1,3-bis(naphthalen-2-ylmethyl)benzimidazol-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-methoxyethyl)-1,3-bis(naphthalen-2-ylmethyl)benzo[d...",NA,"COCCC1=[N+](C2=CC=CC=C2N1CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","MNGUVGHQNWBVSC-UHFFFAOYSA-N",134149334,NA,"PDBC13842","791484","Present",NA,NA
+"13843","2-(2-Methoxynaphthalen-1-yl)-1,2,3,4-tetrahydroquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Naphthalenone, 2,3-dihydro-2-(2-methoxy-1-naphthal...",NA,"COC1=C(C2=CC=CC=C2C=C1)C3NC4=CC=CC=C4C(=O)N3","YVJMAMMDKUHGQD-UHFFFAOYSA-N",300576,NA,"PDBC13843","175639","Present",NA,NA
+"13844","2-(2-Methoxynaphthalen-1-yl)-4,4-dimethyl-5H-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxazole, 4,5-dihydro-2-(2-methoxy-1-naphthalenyl)-4,4-dimethyl-",NA,"CC1(COC(=N1)C2=C(C=CC3=CC=CC=C32)OC)C","LPTAWCRECCXSAJ-UHFFFAOYSA-N",370780,NA,"PDBC13844","644303","Present",NA,NA
+"13845","2-(2-Methoxyphenyl)-1,8-naphthyridin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyphenyl)-1,8-naphthyridin-4-ol",NA,"COC1=CC=CC=C1C2=CC(=O)C3=C(N2)N=CC=C3","DUQKMZGCYQDTGO-UHFFFAOYSA-N",384637,NA,"PDBC13845","674680","Present",NA,NA
+"13846","2-(2-Methoxyphenyl)-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyphenyl)quinolin-4(1H)-one",NA,"COC1=CC=CC=C1C2=CC(=O)C3=CC=CC=C3N2","JKXZIPYJASZHQE-UHFFFAOYSA-N",375360,NA,"PDBC13846","654984","Present",NA,NA
+"13847","2-(2-Methoxyphenyl)-3-(4-methylphenyl)-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyphenyl)-3-(4-methylphenyl)-2,3-dihydro[1,2,4]triazolo[5,1-b]quinazolin-9(1h)-one",NA,"CC1=CC=C(C=C1)N2C(NN3C2=NC4=CC=CC=C4C3=O)C5=CC=CC=C5OC","GOKBWHWDCUHAMG-UHFFFAOYSA-N",402186,NA,"PDBC13847","716050","Present",NA,NA
+"13848","2-(2-Methoxyphenyl)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK325808",NA,"COC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)N2","DWMWFLPOXYGDND-UHFFFAOYSA-N",135436005,NA,"PDBC13848","684364","Present",NA,NA
+"13849","2-(2-Methoxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=CC=C3OC","CZQABNQCXSYFIY-UHFFFAOYSA-N",364118,NA,"PDBC13849","629787","Present",NA,NA
+"13850","2-(2-Methoxyphenyl)-6-methyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one",NA,"CC1=CC2=C(NC(=CC2=O)C3=CC=CC=C3OC)N=C1","KUZUVPBLDUCRIZ-UHFFFAOYSA-N",384638,NA,"PDBC13850","674681","Present",NA,NA
+"13851","2-(2-Methoxystyryl)benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxystyryl)benzoxazole",NA,"COC1=CC=CC=C1C=CC2=NC3=CC=CC=C3O2","JTPZLYMQGYHBGZ-ZHACJKMWSA-N",5779630,NA,"PDBC13851","661959","Present",NA,NA
+"13852","2-(2-Methyl-1-naphthylamino)-2-oxazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100742",NA,"CC1=C(C2=CC=CC=C2C=C1)NC3=NCCO3","MJKOTIUTQZMRJL-UHFFFAOYSA-N",218360,NA,"PDBC13852","664256","Present",NA,NA
+"13853","2-(2-Methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methyl-1H-indol-3-yl)cyclohexa-2,5-diene-1,4-dione",NA,"CC1=C(C2=CC=CC=C2N1)C3=CC(=O)C=CC3=O","SYIXSZIGHISTNJ-UHFFFAOYSA-N",238781,NA,"PDBC13853","43317","Present",NA,NA
+"13854","2-(2-Methyl-2-nitropropoxy)bornane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-METHYL-2-NITROPROPOXY)BORNANE",NA,"CC1(C2CCC1(C(C2)OCC(C)(C)[N+](=O)[O-])C)C","BJPQXEZVCKJQEG-UHIISALHSA-N",219796,NA,"PDBC13854","1482","Present",NA,NA
+"13855","2-(2-Methyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]dioxol-2-yl)acetic acid; phenylmethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,3]dioxol-2-yl)acetic acid; phenylmethanamine",NA,"CC1(OC2CCCCCC2O1)CC(=O)O.C1=CC=C(C=C1)CN","SJDVMIRZQJNOMT-UHFFFAOYSA-N",273860,NA,"PDBC13855","119531","Present",NA,NA
+"13856","2-(2-Methyl-4-nitroimidazol-1-yl)ethanimidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648885",NA,"CC1=NC(=CN1CC(=N)N)[N+](=O)[O-].Cl","AVZDUGWRTGMENO-UHFFFAOYSA-N",373052,NA,"PDBC13856","648885","Present",NA,NA
+"13857","2-(2-Methylaminoethyl)pyridine Nitric Oxide Adduct",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-methylaminoethyl)pyridine Nitric Oxide Adduct",NA,"CNCCC1=CC=CC=N1.CN(CCC1=CC=CC=N1)[N+](=NO)[O-]","IFLYKVHSFHXGSR-BBJSDXRSSA-N",135484809,NA,"PDBC13857","634216","Present",NA,NA
+"13858","2-(2-Methylanilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphth[2,3-d]thiazole-4,9-dione, 2-[(2-methylphenyl)amino]-",NA,"CC1=CC=CC=C1NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","ZLWPEZFJCGSXES-UHFFFAOYSA-N",361024,NA,"PDBC13858","623758","Present",NA,NA
+"13859","2-(2-Methylbenzyl)-3(2H)-cinnolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methylbenzyl)-3(2H)-cinnolinone",NA,"CC1=CC=CC=C1CN2C(=O)C=C3C=CC=CC3=N2","ALHDHUPGBVGRKL-UHFFFAOYSA-N",368582,NA,"PDBC13859","639678","Present",NA,NA
+"13860","2-(2-Methylphenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methylphenoxy)-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)propanamide",NA,"CC1=CC=CC=C1OC(C)C(=O)NN2C(SCC2=O)C3=CC=CC=C3","FFJUDQDGCKOKOG-UHFFFAOYSA-N",397263,NA,"PDBC13860","704791","Present",NA,NA
+"13861","2-(2-Methylphenoxy)-N-[3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methylphenoxy)-N-[3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]propanamide",NA,"CC1=CC=C(C=C1)N2C(=O)CC(=O)N(C2=S)NC(=O)C(C)OC3=CC=CC=C3C","UHEKFFPRIAJIKL-UHFFFAOYSA-N",397271,NA,"PDBC13861","704799","Present",NA,NA
+"13862","2-(2-Methylphenyl)-2,3-dihydro-4H-chromeno(2,3-d)pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-[1]Benzopyrano[2,3-d]pyrimidine-4-one, 2,3-dihydro-2-...",NA,"CC1=CC=CC=C1C2NC(=O)C3=CC4=CC=CC=C4OC3=N2","ALLSYZMZJAHIPJ-UHFFFAOYSA-N",333612,NA,"PDBC13862","336032","Present",NA,NA
+"13863","2-(2-Methylpropoxy)-1,3-benzodithiole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzodithiol-2-yl 2-methylpropyl ether",NA,"CC(C)COC1SC2=CC=CC=C2S1","RIFYIHGDUGGDSN-UHFFFAOYSA-N",360877,NA,"PDBC13863","623560","Present",NA,NA
+"13864","2-(2-Morpholin-4-ylethyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Morpholin-4-yl)ethyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione",NA,"C1COCCN1CCN2C(=O)C3CC4=CC=CC=C4CN3C2=O","LSGZWIRCSAOQCO-UHFFFAOYSA-N",372521,NA,"PDBC13864","647655","Present",NA,NA
+"13865","2-(2-Morpholin-4-ylethyl)-5,10-dioxido-1,3-dihydropyrrolo[3,4-i]phenazine-5,10-diium-6-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Morpholin-4-ylethyl)-5,10-dioxido-1,3-dihydropyrrolo[3,4-i]phenazine-5,10-diium-6-ol;hydrochloride",NA,"C1COCCN1CCN2CC3=CC4=[N+](C5=C(C(=CC=C5)O)[N+](=C4C=C3C2)[O-])[O-].Cl","PICHGFGTVURUPW-UHFFFAOYSA-N",135455545,NA,"PDBC13865","614633","Present",NA,NA
+"13866","2-(2-Morpholinopropionylamino)-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-morpholinopropanoylamino)thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)C(C)N2CCOCC2","KVZMJBOOXFLKCI-UHFFFAOYSA-N",396832,NA,"PDBC13866","703836","Present",NA,NA
+"13867","2-(2-Naphthalen-2-yl-2-oxoethyl)-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(Naphthalen-2-yl)-2-oxoethyl]furan-2(5H)-one",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CC3C=CC(=O)O3","XOEHJPDLDZFILE-UHFFFAOYSA-N",366299,NA,"PDBC13867","634650","Present",NA,NA
+"13868","2-(2-Naphthyl)-1-thiaindene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Naphthyl)-1-thiaindene",NA,"C1=CC=C2C=C(C=CC2=C1)C3=CC4=CC=CC=C4S3","VXNMJAGOXHIGRF-UHFFFAOYSA-N",253238,NA,"PDBC13868","75894","Present",NA,NA
+"13869","2-(2-Naphthyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Naphthyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,"C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC6=CC=CC=C6C=C5","IZKQUXVZUPLRGB-UHFFFAOYSA-N",388200,NA,"PDBC13869","682768","Present",NA,NA
+"13870","2-(2-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Naphthyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC4=CC=CC=C4C=C3)C","BIJWLTRMYLRXEA-UHFFFAOYSA-N",5468909,NA,"PDBC13870","679021","Present",NA,NA
+"13871","2-(2-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Naphthyl)-5-methyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC4=CC=CC=C4C=C3","QEUHGQVYHUYTFM-UHFFFAOYSA-N",386570,NA,"PDBC13871","679018","Present",NA,NA
+"13872","2-(2-Naphthyl)-6,7-dimethoxy-3,4-dihydroquinazoline-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethoxy-2-(2-naphthyl)-1h-quinazolin-4-one",NA,"COC1=C(C=C2C(=C1)C(=O)NC(=N2)C3=CC4=CC=CC=C4C=C3)OC","ZPTFTBKDCIAKOQ-UHFFFAOYSA-N",135428144,NA,"PDBC13872","690279","Present",NA,NA
+"13873","2-(2-Naphthyl)-6-chloro-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Naphthyl)-6-chloro-1,8-naphthyridin-4(1H)-one",NA,"C1=CC=C2C=C(C=CC2=C1)C3=CC(=O)C4=C(N3)N=CC(=C4)Cl","LDPMRGMHKRNFMQ-UHFFFAOYSA-N",386574,NA,"PDBC13873","679022","Present",NA,NA
+"13874","2-(2-Naphthyl)-6-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Naphthyl)-6-methyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=CC2=C(NC(=CC2=O)C3=CC4=CC=CC=C4C=C3)N=C1","ZLYSKFYZBYRVSU-UHFFFAOYSA-N",386571,NA,"PDBC13874","679019","Present",NA,NA
+"13875","2-(2-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Naphthyl)-7-methyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC4=CC=CC=C4C=C3","DLKWDNZHLDGWPT-UHFFFAOYSA-N",5468908,NA,"PDBC13875","679020","Present",NA,NA
+"13876","2-(2-Naphthyl)ethyl 3,4-dihydroxycinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Naphthyl)ethyl 3,4-dihydroxycinnamate",NA,"C1=CC=C2C=C(C=CC2=C1)CCOC(=O)C=CC3=CC(=C(C=C3)O)O","ZGKHGLDXKKYROF-JXMROGBWSA-N",5468518,NA,"PDBC13876","671183","Present",NA,NA
+"13877","2-(2-Naphthylsulfonylsulfanyl)-4,5-dihydro-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Naphthylsulfonylsulfanyl)-4,5-dihydro-1H-imidazole",NA,"C1CN=C(N1)SS(=O)(=O)C2=CC3=CC=CC=C3C=C2","NKGWMMNTMFDLMC-UHFFFAOYSA-N",389916,NA,"PDBC13877","686567","Present",NA,NA
+"13878","2-(2-Nitro-1H-imidazol-1-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK153978",NA,"C1=CN(C(=N1)[N+](=O)[O-])CC(=O)O","TYDGDUVFDYKZMY-UHFFFAOYSA-N",327544,NA,"PDBC13878","302988","Present",NA,NA
+"13879","2-(2-Nitroimidazol-1-yl)-1-phenyl-ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Nitro-1H-imidazol-1-yl)-1-phenylethanol",NA,"C1=CC=C(C=C1)C(CN2C=CN=C2[N+](=O)[O-])O","SYUQHCRLRZLERL-UHFFFAOYSA-N",370715,NA,"PDBC13879","644217","Present",NA,NA
+"13880","2-(2-Nitroimidazol-1-yl)-1-phenyl-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Nitroimidazol-1-yl)-1-phenyl-ethanone",NA,"C1=CC=C(C=C1)C(=O)CN2C=CN=C2[N+](=O)[O-]","VPNVYDWYNWDEMU-UHFFFAOYSA-N",327482,NA,"PDBC13880","302651","Present",NA,NA
+"13881","2-(2-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","OBXPKGBBVTUGBN-UHFFFAOYSA-N",384570,NA,"PDBC13881","674584","Present",NA,NA
+"13882","2-(2-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2[N+](=O)[O-])C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","FUXKSXVOGYFNLS-UHFFFAOYSA-N",384555,NA,"PDBC13882","674569","Present",NA,NA
+"13883","2-(2-Nitrophenyl)butanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-nitrophenyl succinic acid",NA,"C1=CC=C(C(=C1)C(CC(=O)O)C(=O)O)[N+](=O)[O-]","REWALNXOIYDJFF-UHFFFAOYSA-N",236350,NA,"PDBC13883","38777","Present",NA,NA
+"13884","2-(2-Nitrovinyl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Nitrovinyl)-1H-indole",NA,"C1=CC=C2C(=C1)C=C(N2)C=C[N+](=O)[O-]","ZUQXVMIIRIIGTQ-AATRIKPKSA-N",5382764,NA,"PDBC13884","150982","Present",NA,NA
+"13885","2-(2-Oxo-1,3-benzoxazol-3(2H)-yl)-N,N-diphenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Oxo-1,3-benzoxazol-3(2H)-yl)-N,N-diphenylacetamide",NA,"C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CN3C4=CC=CC=C4OC3=O","YGSRXAUCWIDLQX-UHFFFAOYSA-N",391448,NA,"PDBC13885","690652","Present",NA,NA
+"13886","2-(2-Oxobenzo[e]1,4-thiazin-3-yl)-1,3-diphenylpropane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Oxobenzo[e]1,4-thiazin-3-yl)-1,3-diphenylpropane-1,3-dione",NA,"C1=CC=C(C=C1)C(=O)C(C2=NC3=CC=CC=C3SC2=O)C(=O)C4=CC=CC=C4","MKKMVXOROGZJJI-UHFFFAOYSA-N",404246,NA,"PDBC13886","720424","Present",NA,NA
+"13887","2-(2-Oxochromen-3-yl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Oxochromen-3-yl)ethyl acetate",NA,"CC(=O)OCCC1=CC2=CC=CC=C2OC1=O","LAPPZRPGVSNZCR-UHFFFAOYSA-N",250650,NA,"PDBC13887","70309","Present",NA,NA
+"13888","2-(2-Phenyl-1,3-dioxolan-2-yl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Phenyl-1,3-dioxolan-2-yl)-1H-indole",NA,"C1COC(O1)(C2=CC=CC=C2)C3=CC4=CC=CC=C4N3","NJPBBWMPVBTCKY-UHFFFAOYSA-N",398267,NA,"PDBC13888","707981","Present",NA,NA
+"13889","2-(2-Phenyl-1H-indol-1-yl)-N-propylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-82098",NA,"CCCNC(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3","QQSVVKSJRPBHAI-UHFFFAOYSA-N",381972,NA,"PDBC13889","669282","Present",NA,NA
+"13890","2-(2-Phenylacetimidamido)Acetic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Phenylacetimidamido)Acetic Acid",NA,"C1=CC=C(C=C1)CC(=NCC(=O)O)N","YDYSNTALSBKAPQ-UHFFFAOYSA-N",231503,NA,"PDBC13890","27895","Present",NA,NA
+"13891","2-(2-Phenylethylamino)-5-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1,3-thiazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-2-(24)-5-(1H-pyrrolo[2,3-b]pyridine-3-ylmethylene)-...///NSC781773",NA,"C1=CC=C(C=C1)CCNC2=NC(=C(S2)C=C3C=NC4=C3C=CC=N4)O","BGDWYKUGZZKWEZ-SDNWHVSQSA-N",155809191,NA,"PDBC13891","781419///781773","Present",NA,NA
+"13892","2-(2-Phenylquinolin-4-YL)sulfanylacetic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13597",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)SCC(=O)O.Cl","NANAYWLIAWAKPE-UHFFFAOYSA-N",53423158,NA,"PDBC13892","13597","Present",NA,NA
+"13893","2-(2-Phenylquinolin-4-yl)oxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Phenyl-4-quinolyl)oxyacetic acid",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)OCC(=O)O","MICODESZTQZIAB-UHFFFAOYSA-N",384484,NA,"PDBC13893","674289","Present",NA,NA
+"13894","2-(2-Piperidinopropionylamino)-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-(1-piperidyl)propanoylamino]thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)C(C)N2CCCCC2","VSOHQRISZVIYHY-UHFFFAOYSA-N",396833,NA,"PDBC13894","703837","Present",NA,NA
+"13895","2-(2-Pyridinyl)-1-(4-pyridinyl)-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(pyridin-2-yl)-1-(pyridin-4-yl)propan-1-one",NA,"CC(C1=CC=CC=N1)C(=O)C2=CC=NC=C2","RXIQIWCMEYWGSF-UHFFFAOYSA-N",238336,NA,"PDBC13895","42665","Present",NA,NA
+"13896","2-(2-Pyridinyl)ethyl imidothiocarbamate 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylbenzenesulfonic acid;2-pyridin-2-ylethyl carbamimidothioate",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=NC(=C1)CCSC(=N)N","LPPPNPNNNPPPNF-UHFFFAOYSA-N",3246340,NA,"PDBC13896","92987","Present",NA,NA
+"13897","2-(2-Pyridylamino)ethyldimethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 2-[[(2-(dimethylamino)ethyl]amino]-",NA,"CN(C)CCNC1=CC=CC=N1","PBPMFHCGVZTYHV-UHFFFAOYSA-N",90273,NA,"PDBC13897","30154","Present",NA,NA
+"13898","2-(2-Pyridylazo)-5-dimethylaminophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol",NA,"CN(C)C1=CC(=C(C=C1)N=NC2=CC=CC=N2)O","RBYWVGOQLYTZCK-UHFFFAOYSA-N",135741596,NA,"PDBC13898","794456","Present",NA,NA
+"13899","2-(2-Pyrrolidin-1-ylethyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Pyrrolidin-1-yl)ethyl]-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione",NA,"C1CCN(C1)CCN2C(=O)C3CC4=CC=CC=C4CN3C2=O","FDAIKWTXWRINOB-UHFFFAOYSA-N",372522,NA,"PDBC13899","647656","Present",NA,NA
+"13900","2-(2-Pyrrolizinopropionylamino)-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-pyrrolidin-1-ylpropanoylamino)thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)C(C)N2CCCC2","FBHMOTODSBVVLI-UHFFFAOYSA-N",396834,NA,"PDBC13900","703838","Present",NA,NA
+"13901","2-(2-Sulfoethylamino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tauropine",NA,"CC(C(=O)O)NCCS(=O)(=O)O","VHYQDLYSULDZSO-UHFFFAOYSA-N",362387,NA,"PDBC13901","626157","Present",NA,NA
+"13902","2-(2-Tert-Butyl-1,3-benzoxathiol-2-yl)-5-(2-phenyl-1,3-benzoxathiol-2-yl)-1H-pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Tert-Butyl-1,3-benzoxathiol-2-yl)-5-(2-phenyl-1,3-benzoxathiol-2-yl)-1H-pyrrole",NA,"CC(C)(C)C1(OC2=CC=CC=C2S1)C3=CC=C(N3)C4(OC5=CC=CC=C5S4)C6=CC=CC=C6","BDULTCWUYJYIMO-UHFFFAOYSA-N",362858,NA,"PDBC13902","627263","Present",NA,NA
+"13903","2-(2-Thienyl)-1,4-di(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Thienyl)-1,4-di(3-thienyl)-1,4-butanedione",NA,"C1=CSC(=C1)C(CC(=O)C2=CSC=C2)C(=O)C3=CSC=C3","QMKYTDYBKYHNRR-UHFFFAOYSA-N",376710,NA,"PDBC13903","657756","Present",NA,NA
+"13904","2-(2-Thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine",NA,"C1=CSC(=C1)C2=NC3=C(N=CN=C3O2)N","FBHADBCNRPEORK-UHFFFAOYSA-N",387390,NA,"PDBC13904","681138","Present",NA,NA
+"13905","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl 3,5-dinitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl 3,5-dinitrobenzoate",NA,"C1CC2=CC=CC=C2C(=NCCOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C41","BHKVMLIKDJSFJP-UHFFFAOYSA-N",382525,NA,"PDBC13905","670134","Present",NA,NA
+"13906","2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl 3,5-dinitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl 3,5-dinitrobenzoate",NA,"C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=NCCOC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","OODJMAUSQVVBPP-UHFFFAOYSA-N",382528,NA,"PDBC13906","670137","Present",NA,NA
+"13907","2-(2-oxo-2-phenylethoxy)isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-oxo-2-phenylethoxy)isoindoline-1,3-dione",NA,"C1=CC=C(C=C1)C(=O)CON2C(=O)C3=CC=CC=C3C2=O","GANHWTJKFCGMQL-UHFFFAOYSA-N",322778,NA,"PDBC13907","280997","Present",NA,NA
+"13908","2-(2-phenyl-4-quinazolinylamino)ethyl pivalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-phenyl-4-quinazolinylamino)ethyl pivalate",NA,"CC(C)(C)C(=O)OCCNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3","YLILNUSTSFYDJM-UHFFFAOYSA-N",1643479,NA,"PDBC13908","727901","Present",NA,NA
+"13909","2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(2,4-dichlorophenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,4-dichlorophenyl)-2-oxoacetamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2)Cl)Cl","FJQNSNJBKBRASC-UHFFFAOYSA-N",369564,NA,"PDBC13909","641428","Present",NA,NA
+"13910","2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(2,6-dimethylphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,6-dimethylphenyl)-2-oxoacetamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C","AKTGRQBWOMSJQW-UHFFFAOYSA-N",369233,NA,"PDBC13910","640961","Present",NA,NA
+"13911","2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(2-cyanophenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-cyanophenyl)-2-oxoacetamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC=CC=C2C#N","KCNLKZVVKWYDQK-UHFFFAOYSA-N",369237,NA,"PDBC13911","640966","Present",NA,NA
+"13912","2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2-tert-butyl-6-methylphenyl)-2-oxoacetamide",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C","VEJOWXJRRZAKOX-UHFFFAOYSA-N",369238,NA,"PDBC13912","640968","Present",NA,NA
+"13913","2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(3,4-dimethylphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(3,4-dimethylphenyl)-2-oxoacetamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C)C","YMNPMWRWDLUBOS-UHFFFAOYSA-N",369236,NA,"PDBC13913","640964","Present",NA,NA
+"13914","2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(3-acetylphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(3-acetylphenyl)-2-oxoacetamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC=CC(=C2)C(=O)C","ABJJEKMKPILGSQ-UHFFFAOYSA-N",369240,NA,"PDBC13914","640971","Present",NA,NA
+"13915","2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(4-methyl-2-nitrophenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(4-methyl-2-nitrophenyl)-2-oxoacetamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)NNC(=O)C2=C(N=C(S2)NNC(=O)C)C)[N+](=O)[O-]","NGJVWJLVDLZIQX-UHFFFAOYSA-N",11979337,NA,"PDBC13915","640965","Present",NA,NA
+"13916","2-(2-{[2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl]carbonyl}hydrazino)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanedioic acid, mono(6-nitrobenzothiazol-2-yl)amide, m...",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]","ZAQRMGDCHDMUDD-UHFFFAOYSA-N",11979338,NA,"PDBC13916","640967","Present",NA,NA
+"13917","2-(2-{[2-(Aminosulfonyl)cyclohexyl]carbonyl}hydrazino)-2-oxo-N-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-2-[2-(2-sulfamoylcyclohexanecarbonyl)hydrazinyl]-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide",NA,"C1CCC(C(C1)C(=O)NNC(=O)C(=O)NC2=NC(=S)NN2)S(=O)(=O)N","WNQODMSFHXBOPW-UHFFFAOYSA-N",3000677,NA,"PDBC13917","640973","Present",NA,NA
+"13918","2-(2H-Benzotriazole-2-yl)-3beta-phenyloxetane-2beta-methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2r,3s)-2-(2h-Benzotriazol-2-yl)-3-phenyloxetan-2-yl]methanol",NA,"C1C(C(O1)(CO)N2N=C3C=CC=CC3=N2)C4=CC=CC=C4","GMLUGJDJJBZWAK-CJNGLKHVSA-N",404384,NA,"PDBC13918","720595","Present",NA,NA
+"13919","2-(3,3-Butadiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dibromo-4-methylpentyl)-1,3-butadiene",NA,"CC(C)(C(CCC(=C)C=C)Br)Br","UKGJPTUUIZABLR-UHFFFAOYSA-N",377927,NA,"PDBC13919","659550","Present",NA,NA
+"13920","2-(3,3-Dichloroprop-2-enoxy)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3,3-Dichloroprop-2-en-1-yl)oxy]naphthalene-1,4-dione",NA,"C1=CC=C2C(=C1)C(=O)C=C(C2=O)OCC=C(Cl)Cl","ABFVATXEXMGHDL-UHFFFAOYSA-N",281172,NA,"PDBC13920","133757","Present",NA,NA
+"13921","2-(3,3-Diphenyl-2-benzothien-1(3H)-ylidene)-1H-indene-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,3-Diphenyl-2-benzothiophen-1-ylidene)indane-1,3-dione",NA,"C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C4C(=O)C5=CC=CC=C5C4=O)S2)C6=CC=CC=C6","MSBRUJXJPKVTGT-UHFFFAOYSA-N",377856,NA,"PDBC13921","659469","Present",NA,NA
+"13922","2-(3,3a,4,8b-Tetrahydro-1H-pyrrolo[3,4-b]indol-2-ylmethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,3a,4,8b-Tetrahydro-1H-pyrrolo[3,4-b]indol-2-ylmethyl)-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one",NA,"CC1=CC(=NC2=C1C(=O)N(S2)CN3CC4C(C3)NC5=CC=CC=C45)C","WPBHZIGUJVFMIY-UHFFFAOYSA-N",401087,NA,"PDBC13922","713910","Present",NA,NA
+"13923","2-(3,4,5-Trihydroxy-6-oxoxanthen-9-yl)cyclohexane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecar...",NA,"C1CCC(C(C1)C2=C3C=CC(=O)C(=C3OC4=C2C=CC(=C4O)O)O)C(=O)O","CAVIJGGXNIURPI-UHFFFAOYSA-N",274122,NA,"PDBC13923","119910","Present",NA,NA
+"13924","2-(3,4,5-Trimethoxy-phenyl)-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4,5-Trimethoxy-phenyl)-1H-quinolin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=CC=CC=C3N2","CEYWUEALBWWZAX-UHFFFAOYSA-N",375362,NA,"PDBC13924","654986","Present",NA,NA
+"13925","2-(3,4,5-Trimethoxybenzylidene)-1-indanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4,5-Trimethoxybenylidene)-1-indanone",NA,"COC1=CC(=CC(=C1OC)OC)C=C2CC3=CC=CC=C3C2=O","OFVGYTVXPWPBMR-RIYZIHGNSA-N",1550191,NA,"PDBC13925","643177","Present",NA,NA
+"13926","2-(3,4,5-Trimethoxybenzylidene)-1-tetralone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4,5-Trimethoxybenzylidene)-1-tetralone",NA,"COC1=CC(=CC(=C1OC)OC)C=C2CCC3=CC=CC=C3C2=O","LTUKXOIWJPFEFJ-XNTDXEJSSA-N",1550192,NA,"PDBC13926","643178","Present",NA,NA
+"13927","2-(3,4,5-Trimethoxyphenyl)-3-(4-methoxyphenyl)acrylic acid 2-(diethylamino)ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E) (2-Diethylaminoethyl)-3-(4-methoxyphenyl)-2-(3,4,5- ...",NA,"CCN(CC)CCOC(=O)C(=CC1=CC=C(C=C1)OC)C2=CC(=C(C(=C2)OC)OC)OC","GFTYBVUQAYPGNQ-RCCKNPSSSA-N",5388753,NA,"PDBC13927","638408","Present",NA,NA
+"13928","2-(3,4,5-Trimethoxyphenyl)-5,12,14-trioxa-3-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4,5-Trimethoxyphenyl)-5,12,14-trioxa-3-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3CC5N2C(=O)OC5)OCO4","HSYGXWWIEPKNOV-UHFFFAOYSA-N",435851,NA,"PDBC13928","377521","Present",NA,NA
+"13929","2-(3,4,5-Trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidine-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4,5-Trimethoxyphenyl)-5,6,7,8,9,10-hexahydrocyclooc...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C4=C(S3)CCCCCC4)C(=O)N2","HYXOATCEUFLRBA-UHFFFAOYSA-N",3886853,NA,"PDBC13929","775878","Present",NA,NA
+"13930","2-(3,4-Dichloro-5-hydroxytetrahydro-2-furanyl)-1-(2,5-dimethylphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichloro-5-hydroxytetrahydro-2-furanyl)-1-(2,5-dimethylphenyl)ethanone",NA,"CC1=CC(=C(C=C1)C)C(=O)CC2C(C(C(O2)O)Cl)Cl","KVGRFPSXOUEZGT-UHFFFAOYSA-N",366852,NA,"PDBC13930","635831","Present",NA,NA
+"13931","2-(3,4-Dichloro-5-oxo-2H-furan-2-yl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichloro-5-oxo-2H-furan-2-yl)naphthalene-1,4-dione",NA,"C1=CC=C2C(=C1)C(=O)C=C(C2=O)C3C(=C(C(=O)O3)Cl)Cl","AOMAXESZRJYRHC-UHFFFAOYSA-N",343050,NA,"PDBC13931","381802","Present",NA,NA
+"13932","2-(3,4-Dichloro-phenyl)-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichloro-phenyl)-N-(2-pyrrolidin-1-yl-cyclohexyl)-acetamide",NA,"C1CCC(C(C1)NC(=O)CC2=CC(=C(C=C2)Cl)Cl)N3CCCC3","KWSRPMWFUYDWFC-SJORKVTESA-N",6712729,NA,"PDBC13932","707477","Present",NA,NA
+"13933","2-(3,4-Dichloroanilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-d]thiazole-4,9-dione, 2-[(3,4-dichlorophenyl...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC(=C(C=C4)Cl)Cl","SGDPXYIMMVMCCY-UHFFFAOYSA-N",364762,NA,"PDBC13933","631521","Present",NA,NA
+"13934","2-(3,4-Dichloroanilino)oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100116",NA,"C1=CC(=C(C=C1NC2=NC=CO2)Cl)Cl","ANNHWFYCOCQWBQ-UHFFFAOYSA-N",377656,NA,"PDBC13934","659238","Present",NA,NA
+"13935","2-(3,4-Dichlorobenzylidene)-6-(4-hydroxybenzylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorobenzylidene)-6-(4-hydroxybenzylidene)cyclohexanone",NA,"C1CC(=CC2=CC=C(C=C2)O)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)C1","IMLOAMSUXFEQKT-XCMCHEKJSA-N",5905419,NA,"PDBC13935","683835","Present",NA,NA
+"13936","2-(3,4-Dichlorobenzylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629630",NA,"C1CCC(=O)C(=CC2=CC(=C(C=C2)Cl)Cl)C1","FLTPMKGSZHZVQN-JXMROGBWSA-N",5387899,NA,"PDBC13936","629630","Present",NA,NA
+"13937","2-(3,4-Dichlorobenzylidene)cyclohexanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629634",NA,"C1CCC(=NO)C(=CC2=CC(=C(C=C2)Cl)Cl)C1","OCGCTULPNOXNKZ-SBFJKYRKSA-N",5915886,NA,"PDBC13937","629634","Present",NA,NA
+"13938","2-(3,4-Dichlorophenoxy)-3-phenylquinoxaline-5,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3,4-dicloro)phenoxy]-3-phenyl-5,7-Diamino quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2OC4=CC(=C(C=C4)Cl)Cl)N)N","TZKVFIQELBFAKJ-UHFFFAOYSA-N",24203443,NA,"PDBC13938","728036","Present",NA,NA
+"13939","2-(3,4-Dichlorophenoxy)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenoxy)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride",NA,"CN(C1CCCCC1N2CCCC2)C(=O)COC3=CC(=C(C=C3)Cl)Cl.Cl","SLYFITKBNVBOIW-SZOUEMSFSA-N",54611457,NA,"PDBC13939","707808","Present",NA,NA
+"13940","2-(3,4-Dichlorophenoxy)oxetane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenoxy)oxetane",NA,"C1COC1OC2=CC(=C(C=C2)Cl)Cl","SEIBWBMVTNFOCR-UHFFFAOYSA-N",366915,NA,"PDBC13940","635977","Present",NA,NA
+"13941","2-(3,4-Dichlorophenyl)-2-hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethanone hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-2-hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)ethanone hydrazone",NA,"C1=CC(=C(C=C1C(C(=NN)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)Cl)Cl","DEXILZZODLBGCW-LPYMAVHISA-N",135499270,NA,"PDBC13941","647592","Present",NA,NA
+"13942","2-(3,4-Dichlorophenyl)-2-vinyl-1,3-dioxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-2-vinyl-1,3-dioxolane",NA,"C=CC1(OCCO1)C2=CC(=C(C=C2)Cl)Cl","LMLKYRJABOHMER-UHFFFAOYSA-N",383348,NA,"PDBC13942","671462","Present",NA,NA
+"13943","2-(3,4-Dichlorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-5-(1-naphthyl)-1,3,4-oxadiazole",NA,"C1=CC=C2C(=C1)C=CC=C2C3=NN=C(O3)C4=CC(=C(C=C4)Cl)Cl","HCDVIQXPGHCUKY-UHFFFAOYSA-N",259766,NA,"PDBC13943","90311","Present",NA,NA
+"13944","2-(3,4-Dichlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC(=C(C=C3)Cl)Cl","REOVLQZKPJLXPD-UHFFFAOYSA-N",362319,NA,"PDBC13944","625955","Present",NA,NA
+"13945","2-(3,4-Dichlorophenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide",NA,"C1CCC(CC1)(CNC(=O)CC2=CC(=C(C=C2)Cl)Cl)N3CCCCC3","VXJLLYSGWMNOCO-UHFFFAOYSA-N",398819,NA,"PDBC13945","708966","Present",NA,NA
+"13946","2-(3,4-Dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-N-[(1S,2S)-2-(2,5-dihydropyrrol-1-yl)cyclohexyl]-N-methylacetamide;hydrochloride",NA,"CN(C1CCCCC1N2CC=CC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.Cl","IMSCRKBBJAGENW-APTPAJQOSA-N",54611533,NA,"PDBC13946","707469","Present",NA,NA
+"13947","2-(3,4-Dichlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-N-[2-(3,4-dichlorophenyl)ethyl]-N-(2-pyrrolidin-1-ylethyl)ethanamine;hydrobromide",NA,"C1CCN(C1)CCN(CCC2=CC(=C(C=C2)Cl)Cl)CCC3=CC(=C(C=C3)Cl)Cl.Br","KLWKCDXAMQJDJM-UHFFFAOYSA-N",398583,NA,"PDBC13947","708549","Present",NA,NA
+"13948","2-(3,4-Dichlorophenyl)-N-[3-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propyl]acetamide;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-N-[3-[4-(3-piperidin-1-ylpropyl)piperazin-1-yl]propyl]acetamide;oxalic acid",NA,"C1CCN(CC1)CCCN2CCN(CC2)CCCNC(=O)CC3=CC(=C(C=C3)Cl)Cl.C(=O)(C(=O)O)O","MUWPBAAUIROHSF-UHFFFAOYSA-N",398605,NA,"PDBC13948","708560","Present",NA,NA
+"13949","2-(3,4-Dichlorophenyl)-N-methyl-N-[(1R,2R)-2-(1-methyl-2,5-dihydropyrrol-1-ium-1-yl)cyclohexyl]acetamide;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-N-methyl-N-[(1R,2R)-2-(1-methyl-2,5-dihydropyrrol-1-ium-1-yl)cyclohexyl]acetamide;iodide",NA,"CN(C1CCCCC1[N+]2(CC=CC2)C)C(=O)CC3=CC(=C(C=C3)Cl)Cl.[I-]","PZAHROIGULEKQN-STYNFMPRSA-M",398104,NA,"PDBC13949","707468","Present",NA,NA
+"13950","2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]acetamide;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]acetamide;bromide",NA,"CN(C1CCCCC1[N+]2(CCCC2)C)C(=O)CC3=CC(=C(C=C3)Cl)Cl.[Br-]","AASJJHLEKCUDRS-HLRBRJAUSA-M",398097,NA,"PDBC13950","707463","Present",NA,NA
+"13951","2-(3,4-Dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]ethanethioamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-N-methyl-N-[(2S)-2-pyrrolidin-1-ylcyclohexyl]ethanethioamide;hydrochloride",NA,"CN(C1CCCCC1N2CCCC2)C(=S)CC3=CC(=C(C=C3)Cl)Cl.Cl","VLSQZMVJUCHVGG-SZOUEMSFSA-N",54611531,NA,"PDBC13951","707461","Present",NA,NA
+"13952","2-(3,4-Dichlorophenyl)-N-methyl-N-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]acetamide;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-N-methyl-N-[2-[methyl-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]amino]ethyl]acetamide;oxalic acid",NA,"CN(CCN1CCCC1)CCN(C)CCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O","LCBJXGHDBHAQCR-UHFFFAOYSA-N",398612,NA,"PDBC13952","708564","Present",NA,NA
+"13953","2-(3,4-Dichlorophenyl)-N-methyl-N-[3-[methyl(4-pyrrolidin-1-ylbutyl)amino]propyl]acetamide;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-N-methyl-N-[3-[methyl(4-pyrrolidin-1-ylbutyl)amino]propyl]acetamide;oxalic acid",NA,"CN(CCCCN1CCCC1)CCCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O","HTAJZCJJDRLFCY-UHFFFAOYSA-N",398608,NA,"PDBC13953","708562","Present",NA,NA
+"13954","2-(3,4-Dichlorophenyl)-N-methyl-N-[4-[methyl(4-pyrrolidin-1-ylbutyl)amino]butyl]acetamide;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenyl)-N-methyl-N-[4-[methyl(4-pyrrolidin-1-ylbutyl)amino]butyl]acetamide;oxalic acid",NA,"CN(CCCCN1CCCC1)CCCCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O","SMYCHNQRJOGRSY-UHFFFAOYSA-N",398610,NA,"PDBC13954","708563","Present",NA,NA
+"13955","2-(3,4-Dichlorophenyl)quinazoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHNQJSCPEFQKSU-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C(=NC(=N2)C3=CC(=C(C=C3)Cl)Cl)C(=O)N","PHNQJSCPEFQKSU-UHFFFAOYSA-N",362508,NA,"PDBC13955","626530","Present",NA,NA
+"13956","2-(3,4-Dichlorophenylcarbamoyl)-3,3a,4,5-tetrahydro-3-(4-chlorophenyl)-2H-benzo[g]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dichlorophenylcarbamoyl)-3,3a,4,5-tetrahydro-3-(4-chlorophenyl)-2H-benzo[g]indazole",NA,"C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=C(C=C4)Cl)C(=O)NC5=CC(=C(C=C5)Cl)Cl","QJXKUMIIQCDARM-UHFFFAOYSA-N",403116,NA,"PDBC13956","717703","Present",NA,NA
+"13957","2-(3,4-Dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium-4-yl]chromenylium-3,5,7-triol;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxychromenylium-4-yl]chromenylium-3,5,7-triol;chloride",NA,"C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C(=C2O)C4=C(C(=[O+]C5=CC(=CC(=C54)O)O)C6=CC(=C(C=C6)O)O)O)O)O)O)O.[Cl-]","FHJNSUXNBXDTKO-UHFFFAOYSA-O",362632,NA,"PDBC13957","626806","Present",NA,NA
+"13958","2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[2,3,4-trihydroxy-5-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-[2,3,4-trihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one",NA,"CC1C(C(C(C(O1)OCC2COC(C(C2O)O)(O)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O","ZAWICGHHKUGKDJ-UHFFFAOYSA-N",5387755,NA,"PDBC13958","626808","Present",NA,NA
+"13959","2-(3,4-Dihydroxyphenyl)-N-(1H-indol-3-ylmethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dihydroxyphenyl)-N-(1H-indol-3-ylmethyl)acetamide",NA,"C1=CC=C2C(=C1)C(=CN2)CNC(=O)CC3=CC(=C(C=C3)O)O","GMLFWELXYTZCNK-UHFFFAOYSA-N",406484,NA,"PDBC13959","724608","Present",NA,NA
+"13960","2-(3,4-Dimethoxy benzylidene)-1-tetralone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethoxy benzylidene)-1-tetralone",NA,"COC1=C(C=C(C=C1)C=C2CCC3=CC=CC=C3C2=O)OC","GAWLBBIQPOSEMR-RVDMUPIBSA-N",756926,NA,"PDBC13960","643175","Present",NA,NA
+"13961","2-(3,4-Dimethoxy-phenyl)-6,7-dimethoxy-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethoxy-phenyl)-6,7-dimethoxy-1H-quinolin-4-one",NA,"COC1=C(C=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3N2)OC)OC)OC","GLVDOXITTLWVGF-UHFFFAOYSA-N",378307,NA,"PDBC13961","660311","Present",NA,NA
+"13962","2-(3,4-Dimethoxybenzyl)-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000133",NA,"COC1=C(C=C(C=C1)CC2=NC3=CC=CC=C3S2)OC","LZFWKZBQKFRXPM-UHFFFAOYSA-N",365132,NA,"PDBC13962","632233","Present",NA,NA
+"13963","2-(3,4-Dimethoxybenzylidene)-1-indanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethoxybenzylidene)-1-indanone",NA,"COC1=C(C=C(C=C1)C=C2CC3=CC=CC=C3C2=O)OC","FJGZVPFZRZDBNC-NTEUORMPSA-N",5351391,NA,"PDBC13963","643174","Present",NA,NA
+"13964","2-(3,4-Dimethoxyphenyl)-1-[ethoxy(methyl)phosphoryl]ethanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethoxyphenyl)-1-[ethoxy(methyl)phosphoryl]ethanone oxime",NA,"CCOP(=O)(C)C(=NO)CC1=CC(=C(C=C1)OC)OC","VWNKYRQEVGMBBB-YPKPFQOOSA-N",9571471,NA,"PDBC13964","669584","Present",NA,NA
+"13965","2-(3,4-Dimethoxyphenyl)-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL506689",NA,"COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2)OC","QZYGERCWCIKOGH-UHFFFAOYSA-N",135484663,NA,"PDBC13965","684368","Present",NA,NA
+"13966","2-(3,4-Dimethoxyphenyl)-5-(3-oxo-3-methoxy-1-propenyl)-7-methoxy-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674997///Benzofuran-3-carboxylic acid, 2,3-dihydro- 7-methoxy-5-(...",NA,"COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC)C(=O)OC)OC","PSIYZHFYCJVWJB-RMKNXTFCSA-N",6306752,NA,"PDBC13966","674997///674998","Present",NA,NA
+"13967","2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-4H-1-benzopyran-4-one--lambda~2~-stannane (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one;tin",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC.[Sn]","PZKNOJBOSQTJJT-UHFFFAOYSA-N",54611128,NA,"PDBC13967","408170","Present",NA,NA
+"13968","2-(3,4-Dimethoxyphenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc;2-(3,4-dimethoxyphenyl)-5-hydroxy-3,7-dimethoxychromen-4-one",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC.[Zn+2]","XMSZJBOKRNTHEC-UHFFFAOYSA-N",54607968,NA,"PDBC13968","408171","Present",NA,NA
+"13969","2-(3,4-Dimethoxyphenyl)-5-oxohexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethoxyphenyl)-5-oxohexanoic acid",NA,"CC(=O)CCC(C1=CC(=C(C=C1)OC)OC)C(=O)O","CFUATTBARCNPEZ-UHFFFAOYSA-N",359393,NA,"PDBC13969","620236","Present",NA,NA
+"13970","2-(3,4-Dimethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIMETHOXYPHENYLACETAMIDE,3,4-",NA,"COC1=C(C=C(C=C1)CC(=O)N)OC","CUWOZWFDSYIYHL-UHFFFAOYSA-N",79746,NA,"PDBC13970","73172","Present",NA,NA
+"13971","2-(3,4-Dimethoxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/DL3650000",NA,"COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)OC","JMSHSEQKUVZWNO-UHFFFAOYSA-N",241105,NA,"PDBC13971","48229","Present",NA,NA
+"13972","2-(3,4-Dimethylphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethylphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O)C","QGDKQJBQKFFOBL-UHFFFAOYSA-N",364114,NA,"PDBC13972","629783","Present",NA,NA
+"13973","2-(3,5-Bis(chloromethyl)-4-methoxyphenyl)-4H-thiochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Bis(chloromethyl)-4-methoxyphenyl)-4H-thiochromen-4-one",NA,"COC1=C(C=C(C=C1CCl)C2=CC(=O)C3=CC=CC=C3S2)CCl","XWYSIHSASQGMNP-UHFFFAOYSA-N",355507,NA,"PDBC13973","609259","Present",NA,NA
+"13974","2-(3,5-Di-hydrofuran-2-yl)-5-methoxycyclohexa-2,5-diene 1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-dichloro-2-isopropoxy-5-oxo-2,5-di-hydrofuran-2-y...",NA,"CC(C)OC1(C(=C(C(=O)O1)Cl)Cl)C2=CC(=O)C(=CC2=O)OC","KHMSDJNYLCWUQD-UHFFFAOYSA-N",343052,NA,"PDBC13974","381804","Present",NA,NA
+"13975","2-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-hydroxymalonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Di-tert-butyl-4-hydroxyphenyl)-2-hydroxymalonic acid",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C(=O)O)(C(=O)O)O","VVSSRNHIGFUMKV-UHFFFAOYSA-N",386887,NA,"PDBC13975","679745","Present",NA,NA
+"13976","2-(3,5-Dibromo-2,6-dimethoxyphenyl)-1H-pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dibromo-2,6-dimethoxyphenyl)-1H-pyrrole",NA,"COC1=C(C(=C(C=C1Br)Br)OC)C2=CC=CN2","VHAPZCVSMZGFMN-UHFFFAOYSA-N",369631,NA,"PDBC13976","641541","Present",NA,NA
+"13977","2-(3,5-Dichloro-2-hydroxyphenyl)-3-(2-pyridin-2-ylethyl)-1,2-dihydroquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dichloro-2-hydroxyphenyl)-3-(2-(2-pyridinyl)ethyl)-2,3-dihydro-4(1H)-quinazolinone",NA,"C1=CC=C2C(=C1)C(=O)N(C(N2)C3=C(C(=CC(=C3)Cl)Cl)O)CCC4=CC=CC=N4","XNODUJYLAIIVDZ-UHFFFAOYSA-N",332154,NA,"PDBC13977","328087","Present",NA,NA
+"13978","2-(3,5-Dichloroanilino)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dichloroanilino)-9H-purin-6-ol",NA,"C1=C(C=C(C=C1Cl)Cl)NC2=NC3=C(C(=O)N2)NC=N3","XABJVTMOEMSJFI-UHFFFAOYSA-N",135410329,NA,"PDBC13978","682527","Present",NA,NA
+"13979","2-(3,5-Dimethoxyphenoxy)-3-(trifluoromethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dimethoxyphenoxy)-3-(trifluoromethyl)quinoxaline",NA,"COC1=CC(=CC(=C1)OC2=NC3=CC=CC=C3N=C2C(F)(F)F)OC","FSVNAQSSCVSYRP-UHFFFAOYSA-N",401463,NA,"PDBC13979","715121","Present",NA,NA
+"13980","2-(3,5-Dimethoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dimethoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline",NA,"COC1=CC(=CC(=C1)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","QRGPPKBWPJKWEO-UHFFFAOYSA-N",384951,NA,"PDBC13980","675775","Present",NA,NA
+"13981","2-(3,5-Dimethoxyphenoxy)-3-phenylquinoxaline-5,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3,5-(dimethoxy)phenoxy]-3-phenyl-5,7-diammino quinoxa...",NA,"COC1=CC(=CC(=C1)OC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","ZJAPPUPSNBIWFT-UHFFFAOYSA-N",405139,NA,"PDBC13981","722176","Present",NA,NA
+"13982","2-(3,5-Dimethoxyphenoxy)-6,7-difluoro-3-phenylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dimethoxyphenoxy)-6,7-difluoro-3-phenylquinoxaline",NA,"COC1=CC(=CC(=C1)OC2=NC3=CC(=C(C=C3N=C2C4=CC=CC=C4)F)F)OC","WWFUOYCBKCVITO-UHFFFAOYSA-N",394497,NA,"PDBC13982","698042","Present",NA,NA
+"13983","2-(3,5-Dimethoxyphenyl)-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GGOWAPMNHOQUBZ-UHFFFAOYSA-N",NA,"COC1=CC(=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2)OC","GGOWAPMNHOQUBZ-UHFFFAOYSA-N",135484664,NA,"PDBC13983","684369","Present",NA,NA
+"13984","2-(3,5-Dimethoxyphenyl)-5-fluoro-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-(3,5-dimethoxyphenyl)benzothiazole",NA,"COC1=CC(=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)OC","ARCOYLAUNAXKBV-UHFFFAOYSA-N",404996,NA,"PDBC13984","721650","Present",NA,NA
+"13985","2-(3,5-Dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-dimethoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-...",NA,"COC1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)NCC3=CN(N=N3)CC4=CC(=CC=C4)OC5=CC=CC=C5)OC","XMELYKPKQSRZGL-UHFFFAOYSA-N",90681005,NA,"PDBC13985","758367","Present",NA,NA
+"13986","2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-phenyl-4(3H)-quinazolinone",NA,"CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C","WNFDRMKTSXWTCF-UHFFFAOYSA-N",380664,NA,"PDBC13986","666358","Present",NA,NA
+"13987","2-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dimethyl-1H-pyrazol-1-yl)-5-(2-hydroxyethyl)-6-methyl-4-pyrimidinol",NA,"CC1=CC(=NN1C2=NC(=C(C(=O)N2)CCO)C)C","XJNLBPRZHIMFSE-UHFFFAOYSA-N",135409151,NA,"PDBC13987","660339","Present",NA,NA
+"13988","2-(3,5-Dimethyl-1H-pyrazol-1-yl)-6-propylpyrimidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-propyl-1,4-dihydropyr...",NA,"CCCC1=CC(=O)NC(=N1)N2C(=CC(=N2)C)C","DZTHJJDLAVXFBK-UHFFFAOYSA-N",136081020,NA,"PDBC13988","771835","Present",NA,NA
+"13989","2-(3,5-Dimethylpyrazol-1-yl)quinazolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK849915",NA,"CC1=CC(=NN1C2=NC3=CC=CC=C3C(=O)N2)C","BPUGGJBTONTZGE-UHFFFAOYSA-N",135472230,NA,"PDBC13989","691081","Present",NA,NA
+"13990","2-(3,5-Dioxo-1,2,4-triazin-2-yl)ethoxymethylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{[2-(3,5-Dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)ethoxy]methyl}phosphonic acid",NA,"C1=NN(C(=O)NC1=O)CCOCP(=O)(O)O","MPZQLFRGJYODHG-UHFFFAOYSA-N",386540,NA,"PDBC13990","678972","Present",NA,NA
+"13991","2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)pentanedioic acid",NA,"C1CC2CC1C3C2C(=O)N(C3=O)C(CCC(=O)O)C(=O)O","DLXXALMFLHHCTQ-UHFFFAOYSA-N",315873,NA,"PDBC13991","241993","Present",NA,NA
+"13992","2-(3,5-Trimethoxybenzylamino)-7,8,9,10-tetrahydroazepino[2,1-b]quinazolin-12(6H)-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4,5-Trimethoxybenzylamino)-7,8,9,10-tetrahydroazepi...",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=CC3=C(C=C2)N=C4CCCCCN4C3=O.Cl","GRRSFSAKQDBVAA-UHFFFAOYSA-N",380988,NA,"PDBC13992","666867","Present",NA,NA
+"13993","2-(3,6-Dichloro-9H-xanthen-9-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,6-Dichloro-9H-xanthen-9-yl)benzoic acid",NA,"C1=CC=C(C(=C1)C2C3=C(C=C(C=C3)Cl)OC4=C2C=CC(=C4)Cl)C(=O)O","DTERUGRHJMFTNE-UHFFFAOYSA-N",361815,NA,"PDBC13993","625132","Present",NA,NA
+"13994","2-(3,7,9-Trimethyl-2,4,6,8-tetraoxo-pyrimido[5,4-g]pteridin-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,7,9-Trimethyl-2,4,6,8-tetraoxo-pyrimido[5,4-g]pteridin-1-yl)acetamide",NA,"CN1C2=C(C(=O)N(C1=O)C)N=C3C(=N2)N(C(=O)N(C3=O)C)CC(=O)N","VZXTYEQOZFVZAU-UHFFFAOYSA-N",391095,NA,"PDBC13994","689713","Present",NA,NA
+"13995","2-(3-(1-Adamantylamino)-2(1H)-quinoxalinylidene)-1-(4-methylphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(1-Adamantylamino)-2(1H)-quinoxalinylidene)-1-(4-methylphenyl)ethanone",NA,"CC1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3N=C2NC45CC6CC(C4)CC(C6)C5)O","DLGLKMKBVMIGLJ-MXAYSNPKSA-N",135409166,NA,"PDBC13995","662446","Present",NA,NA
+"13996","2-(3-(1-Adamantylamino)-6-(hydroxy(oxido)amino)-2(1H)-quinoxalinylidene)-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(1-Adamantylamino)-6-(hydroxy(oxido)amino)-2(1H)-quinoxalinylidene)-1-phenylethanone",NA,"C1C2CC3CC1CC(C2)(C3)NC4=NC5=C(C=CC(=C5)[N+](=O)[O-])N=C4C=C(C6=CC=CC=C6)O","QCFQJGNKUSAMII-MSXFZWOLSA-N",135409169,NA,"PDBC13996","662449","Present",NA,NA
+"13997","2-(3-(2,2,2-Trifluoroethyl)anilino)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(2,2,2-Trifluoroethyl)anilino)-9H-purin-6-ol",NA,"C1=CC(=CC(=C1)NC2=NC3=C(C(=O)N2)NC=N3)CC(F)(F)F","LYMSMIVPXNLRNH-UHFFFAOYSA-N",135440029,NA,"PDBC13997","685824","Present",NA,NA
+"13998","2-(3-(2-Methoxy-4-(4-methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(2-Methoxy-4-(4-methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione",NA,"COC1=C(C=CC(=C1)C2CC(=C)C(=O)O2)OCCCN3C(=O)C4=CC=CC=C4C3=O","VJRIEQZANIWQHI-UHFFFAOYSA-N",381521,NA,"PDBC13998","668277","Present",NA,NA
+"13999","2-(3-(2-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(2-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)phenol",NA,"COC1=CC=CC=C1C2=NNC(=N2)C3=CC=CC=C3O","ACPUUOOUSKDNFW-UHFFFAOYSA-N",389406,NA,"PDBC13999","685477","Present",NA,NA
+"14000","2-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-7,12-dioxaspiro[5.6]dodecan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-7,12-dioxaspiro[5.6]dodecan-3-one",NA,"CC1(OCCO1)C2=CC=CC(=C2)C3CC4(CCC3=O)OCCCCO4","NHRNWJARODNEHU-UHFFFAOYSA-N",375523,NA,"PDBC14000","655302","Present",NA,NA
+"14001","2-(3-(3,4,5-Trimethoxyphenyl)-1H-pyrazol-5-yl)-1H-benzo[d]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-1H-benzo[...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C3=NC4=CC=CC=C4N3","BDAGZBUIKLJQAQ-UHFFFAOYSA-N",136929741,NA,"PDBC14001","768400","Present",NA,NA
+"14002","2-(3-(4-((3-((Aminocarbonyl)diazenyl)butanoyl)amino)anilino)-1-methyl-3-oxopropyl)diazenecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(4-((3-((Aminocarbonyl)diazenyl)butanoyl)amino)anilino)-1-methyl-3-oxopropyl)diazenecarboxamide",NA,"CC(CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C)N=NC(=O)N)N=NC(=O)N","CGQMNQSWTBDETI-UHFFFAOYSA-N",370067,NA,"PDBC14002","642627","Present",NA,NA
+"14003","2-(3-(4-(4-Methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(4-(4-Methylene-5-oxotetrahydro-2-furanyl)phenoxy)propyl)-1H-isoindole-1,3(2H)-dione",NA,"C=C1CC(OC1=O)C2=CC=C(C=C2)OCCCN3C(=O)C4=CC=CC=C4C3=O","OSODQJGOYAOQOV-UHFFFAOYSA-N",381520,NA,"PDBC14003","668276","Present",NA,NA
+"14004","2-(3-(4-Methylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(4-Methylphenyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)-1H-isoindole-1,3(2H)-dione",NA,"CC1=CC=C(C=C1)C2=NNC(=O)N2N3C(=O)C4=CC=CC=C4C3=O","ZJTPYWFKPWFIRQ-UHFFFAOYSA-N",386449,NA,"PDBC14004","678478","Present",NA,NA
+"14005","2-(3-(8-(6-(2-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(8-(6-(2-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol",NA,"C1=CC=C(C(=C1)C2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)C6=CC=CC=C6O)O","SBSJBIWJJSATGN-UHFFFAOYSA-N",395665,NA,"PDBC14005","700447","Present",NA,NA
+"14006","2-(3-(Acetyloxy)-4,9-dihydro[1,2,4]triazino[4,3-d][1,3,4]oxadiazin-7-yl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(Acetyloxy)-4,9-dihydro[1,2,4]triazino[4,3-d][1,3,4]oxadiazin-7-yl)phenyl acetate",NA,"CC(=O)OC1=NN=C2COC(=NN2C1)C3=CC=CC=C3OC(=O)C","MTHHPISJNFAKGM-UHFFFAOYSA-N",376338,NA,"PDBC14006","657170","Present",NA,NA
+"14007","2-(3-(Benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-1H-benzo[d]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-1H-benz...",NA,"C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=NC5=CC=CC=C5N4","RLHBRPZOPRQMAW-UHFFFAOYSA-N",136929688,NA,"PDBC14007","768399","Present",NA,NA
+"14008","2-(3-(Benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-5-fluoro-1H-benzo[d]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)-5-fluor...",NA,"C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=NC5=C(N4)C=C(C=C5)F","JFESWRVPKVDRET-UHFFFAOYSA-N",136929684,NA,"PDBC14008","768410","Present",NA,NA
+"14009","2-(3-(Hydroxy(oxido)amino)benzylidene)-1-indanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK781162",NA,"C1C2=CC=CC=C2C(=O)C1=CC3=CC(=CC=C3)[N+](=O)[O-]","YBBSELSAFWNGFE-MDWZMJQESA-N",5296617,NA,"PDBC14009","687664","Present",NA,NA
+"14010","2-(3-(Hydroxymethyl)-4-methylanilino)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(Hydroxymethyl)-4-methylanilino)-9H-purin-6-ol",NA,"CC1=C(C=C(C=C1)NC2=NC3=C(C(=O)N2)NC=N3)CO","JYCYNDRDQPPPKI-UHFFFAOYSA-N",135409190,NA,"PDBC14010","664575","Present",NA,NA
+"14011","2-(3-Acetyloxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pregn-5-ene-20-carboxylic acid, (3.beta.,20S)-",NA,"CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C)C(=O)O","WRMRAQBPFAXGNJ-UHFFFAOYSA-N",250291,NA,"PDBC14011","69540","Present",NA,NA
+"14012","2-(3-Allyl-4-hydroxy-5-methoxybenzylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCK100604",NA,"COC1=CC(=CC(=C1O)CC=C)C=C(C#N)C#N","IWZKWPIPONOHQI-UHFFFAOYSA-N",379437,NA,"PDBC14012","663983","Present",NA,NA
+"14013","2-(3-Amino-2-cyano-6,9-dioxa-4-azaspiro[4.4]non-2-en-1-ylidene)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Amino-2-cyano-6,9-dioxa-4-azaspiro[4.4]non-2-en-1-ylidene)propanedinitrile",NA,"C1COC2(O1)C(=C(C#N)C#N)C(=C(N2)N)C#N","QAPJUJXNMHQPNJ-UHFFFAOYSA-N",394324,NA,"PDBC14013","697693","Present",NA,NA
+"14014","2-(3-Amino-3-carboxypropyl)-1,3-thiazole-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Amino-3-carboxypropyl)-1,3-thiazole-5-carboxylic acid",NA,"C1=C(SC(=N1)CCC(C(=O)O)N)C(=O)O","FXOWSGHGIZWLHF-UHFFFAOYSA-N",363606,NA,"PDBC14014","628601","Present",NA,NA
+"14015","2-(3-Amino-4-methylphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Amino-4-methylphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O)N","UJCVZABZNYUPGN-UHFFFAOYSA-N",362316,NA,"PDBC14015","625952","Present",NA,NA
+"14016","2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetamide",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)N)N","GOYYBEJHCWPMNG-UHFFFAOYSA-N",395163,NA,"PDBC14016","699463","Present",NA,NA
+"14017","2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetic acid",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)O)N","PGHOVBQBPUXHNE-UHFFFAOYSA-N",395162,NA,"PDBC14017","699462","Present",NA,NA
+"14018","2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanylacetohydrazide",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NN)N","OFSPFMXXNYIXNG-UHFFFAOYSA-N",395166,NA,"PDBC14018","699466","Present",NA,NA
+"14019","2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxo-N-[3-(trifluoromethyl)phenyl]acetamide",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F","AXHVFJNLWLUJEN-UHFFFAOYSA-N",360433,NA,"PDBC14019","622569","Present",NA,NA
+"14020","2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxo-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxo-N-phenylacetamide",NA,"C1=CC=C(C=C1)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N","OMYKKPFHAQECTN-UHFFFAOYSA-N",360430,NA,"PDBC14020","622566","Present",NA,NA
+"14021","2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-(3,4-dichlorophenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Amino-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-N-(3,4-dichlorophenyl)-2-oxoacetamide",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","HEMQIVNWFZHJMJ-UHFFFAOYSA-N",365042,NA,"PDBC14021","632000","Present",NA,NA
+"14022","2-(3-Amino-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium-1-yl)-1-phenylethanone;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-1-(2-oxo-2-phenylethyl)-6-phenyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium bromide",NA,"C1=CC=C(C=C1)C2=NN3C(=N[N+](=C3S2)CC(=O)C4=CC=CC=C4)N.[Br-]","YHEQEUPNLGDUFH-UHFFFAOYSA-M",383482,NA,"PDBC14022","671873","Present",NA,NA
+"14023","2-(3-Aminoacridin-9-yl)sulfanyl-N-[2-[2-[[2-(3-aminoacridin-9-yl)sulfanylacetyl]amino]phenyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-[Bis-N,N'-(3-amino-9-thioacetamido)-acridine]-biphenyl",NA,"C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CSC6=C7C=CC(=CC7=NC8=CC=CC=C86)N","FLFZOHFFQPTMRT-UHFFFAOYSA-N",371156,NA,"PDBC14023","645157","Present",NA,NA
+"14024","2-(3-Aminopropylamino)phenazine 5,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-Aminopropyl)amino)-5.lambda.~5~,10.lambda.~5~-phenazine-5,10-diol",NA,"C1=CC=C2C(=C1)[N+](=C3C=CC(=CC3=[N+]2[O-])NCCCN)[O-]","IDHDLLDMJMVEHF-UHFFFAOYSA-N",135409037,NA,"PDBC14024","655457","Present",NA,NA
+"14025","2-(3-Aminopropylsulfanyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"((3-Aminopropyl)thio)acetic acid",NA,"C(CN)CSCC(=O)O","DRPIARVWHCYTHL-UHFFFAOYSA-N",362708,NA,"PDBC14025","626947","Present",NA,NA
+"14026","2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)-2H-1,4-benzothiazin-3(4H)-one",NA,"C1=CC=C(C=C1)CN2C(=O)C(SC2=S)C3C(=O)NC4=CC=CC=C4S3","UVLNNIKGDNAHSD-UHFFFAOYSA-N",327685,NA,"PDBC14026","303751","Present",NA,NA
+"14027","2-(3-Benzyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Benzyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione",NA,"C1CCC2C(C1)C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=CC=C4","LZKYMKWCDMLTJE-UHFFFAOYSA-N",387567,NA,"PDBC14027","681524","Present",NA,NA
+"14028","2-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione",NA,"C1C=CCC2C1C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=CC=C4","GSTNNBSMXDUVBT-UHFFFAOYSA-N",387565,NA,"PDBC14028","681522","Present",NA,NA
+"14029","2-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Benzyl-5-oxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N3C(=O)C4=CC=CC=C4C3=O","VRTFUOXGOQKKDI-UHFFFAOYSA-N",390057,NA,"PDBC14029","686971","Present",NA,NA
+"14030","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-dioxoisoindol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(1,3-dioxoisoindol-2-yl)acetamide",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NN4C(=O)C5=CC=CC=C5C4=O","LHWRKXRBLICGLE-UHFFFAOYSA-N",402053,NA,"PDBC14030","715748","Present",NA,NA
+"14031","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-dioxopyrrolidin-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(2,5-dioxopyrrolidin-1-yl)acetamide",NA,"C1CC(=O)N(C1=O)NC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4","GYEUKVOSDKYKKX-UHFFFAOYSA-N",402040,NA,"PDBC14031","715735","Present",NA,NA
+"14032","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-bromophenyl)acetamide",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NC4=CC=C(C=C4)Br","JWBGEYOQJUEEJJ-UHFFFAOYSA-N",402023,NA,"PDBC14032","715718","Present",NA,NA
+"14033","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetamide",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2)NC(=O)CSC3=NC4=C(C=C(C=C4)I)C(=O)N3CC5=CC=CC=C5","SKYUCLJLPXAXTD-UHFFFAOYSA-N",402042,NA,"PDBC14033","715737","Present",NA,NA
+"14034","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NC4=CC=CC=C4","MTDZODBUQZPTLJ-UHFFFAOYSA-N",402024,NA,"PDBC14034","715719","Present",NA,NA
+"14035","2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-Benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetohydrazide",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NN","LOGXOPTUYALXTC-UHFFFAOYSA-N",402019,NA,"PDBC14035","715714","Present",NA,NA
+"14036","2-(3-Bromo-11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Bromo-11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3,4,5-triol",NA,"C1C(C(C(C(O1)N2C3=C(C=C(C=C3)Br)C4=C2C5=C(C=C4)C6=CC=CC=C6N5)O)O)O","ZBCFRWVVLBKZQZ-UHFFFAOYSA-N",392234,NA,"PDBC14036","692366","Present",NA,NA
+"14037","2-(3-Bromo-4-dimethylamino benzylidene)-1-indanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Bromo-4-dimethylamino benzylidene)-1-indanone",NA,"CN(C)C1=C(C=C(C=C1)C=C2CC3=CC=CC=C3C2=O)Br","FUMBCVQBUYLADV-NTEUORMPSA-N",5351389,NA,"PDBC14037","643163","Present",NA,NA
+"14038","2-(3-Bromo-4-methoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Bromo-4-methoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)et...",NA,"COC1=C(C=C(C=C1)CCNC(=O)CC2=CC(=C(C=C2)OC)Br)OC","JVRIZFKXHFRQER-UHFFFAOYSA-N",366187,NA,"PDBC14038","634514","Present",NA,NA
+"14039","2-(3-Bromoanilino)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Bromoanilino)-9H-purin-6-ol",NA,"C1=CC(=CC(=C1)Br)NC2=NC3=C(C(=O)N2)NC=N3","BUNAHRVWOLPOOR-UHFFFAOYSA-N",135409189,NA,"PDBC14039","664574","Present",NA,NA
+"14040","2-(3-Bromoanilino)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glycine, N-(3-bromophenyl)-, hydrazide",NA,"C1=CC(=CC(=C1)Br)NCC(=O)NN","DTNPEGXILXIBQR-UHFFFAOYSA-N",302654,NA,"PDBC14040","190336","Present",NA,NA
+"14041","2-(3-Bromophenyl)-3-(4-chlorobenzyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Bromophenyl)-3-(4-chlorobenzyl)quinoxaline",NA,"C1=CC=C2C(=C1)N=C(C(=N2)C3=CC(=CC=C3)Br)CC4=CC=C(C=C4)Cl","BMLMZAZFQSPAPA-UHFFFAOYSA-N",403653,NA,"PDBC14041","718721","Present",NA,NA
+"14042","2-(3-Bromophenyl)-4,5,6,7-tetraphenyl-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-bromophenyl)-4,5,6,7-tetraphenylisoindoline-1,3-dione",NA,"C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)C5=CC(=CC=C5)Br)C6=CC=CC=C6)C7=CC=CC=C7","SPTALXNUGLKVMJ-UHFFFAOYSA-N",366052,NA,"PDBC14042","634226","Present",NA,NA
+"14043","2-(3-Bromophenylmethylene)-1-indanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB01318947-02",NA,"C1C2=CC=CC=C2C(=O)C1=CC3=CC(=CC=C3)Br","BVIWTKYMZMLBTA-MDWZMJQESA-N",5469389,NA,"PDBC14043","687663","Present",NA,NA
+"14044","2-(3-Butenyl)cycloheptanone dimethylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-But-3-enylcycloheptylidene)amino]-N-methyl-methanamine",NA,"CN(C)N=C1CCCCCC1CCC=C","JHDFENFBBMSVAW-BUHFOSPRSA-N",9571649,NA,"PDBC14044","695236","Present",NA,NA
+"14045","2-(3-Butynyloxy)-2-methoxy-5,5-dimethyl-2,5-dihydro-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Butynyloxy)-2-methoxy-5,5-dimethyl-2,5-dihydro-1,3,4-oxadiazole",NA,"CC1(N=NC(O1)(OC)OCCC#C)C","MOHMDLVUOUWRMM-UHFFFAOYSA-N",380446,NA,"PDBC14045","665973","Present",NA,NA
+"14046","2-(3-Carboxyanilino)-3-nitrobenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Carboxyanilino)-3-nitrobenzoic acid",NA,"C1=CC(=CC(=C1)NC2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C(=O)O","OADNRDRCKJFASV-UHFFFAOYSA-N",393671,NA,"PDBC14046","696047","Present",NA,NA
+"14047","2-(3-Chloro-1,3-bis(hydroxy(oxido)amino)-2-propenylidene)-2,3-dihydro-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloro-1,3-bis(hydroxy(oxido)amino)-2-propenylidene)-2,3-dihydro-1,3-benzoxazole",NA,"C1=CC=C2C(=C1)NC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])O2","IGEZNWXDYLLDLO-FWMCCXIMSA-N",6271253,NA,"PDBC14047","673154","Present",NA,NA
+"14048","2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-diethylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, .alpha.-(2-chloro-1,4-dihydro- 1,4-dioxonapht...",NA,"CCC1=C(C(=CC=C1)CC)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","CEPOONXTYNXFSS-UHFFFAOYSA-N",366176,NA,"PDBC14048","634503","Present",NA,NA
+"14049","2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-dimethylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2,6-dimethylphenyl)acetamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","GMGMKZMQQOCXPX-UHFFFAOYSA-N",366175,NA,"PDBC14049","634502","Present",NA,NA
+"14050","2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2-ethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-(2-ethoxyphenyl)acetamide",NA,"CCOC1=CC=CC=C1NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","WKZKDGZXUGVVHY-UHFFFAOYSA-N",361023,NA,"PDBC14050","623757","Present",NA,NA
+"14051","2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyano-N-phenylacetamide",NA,"C1=CC=C(C=C1)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","WJXMCGGGLJDFDA-UHFFFAOYSA-N",367615,NA,"PDBC14051","637447","Present",NA,NA
+"14052","2-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-cyano-N-(2-ethylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-cyano-N-(2-ethylphenyl)acetamide",NA,"CCC1=CC=CC=C1NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","IIRZPOIKPRSNPL-UHFFFAOYSA-N",358872,NA,"PDBC14052","618997","Present",NA,NA
+"14053","2-(3-Chloro-3-p-tolyl-allylidene)-malonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloro-3-p-tolyl-allylidene)-malonitrile",NA,"CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)Cl","MTQCJPNCSBYEMH-QPEQYQDCSA-N",5473088,NA,"PDBC14053","723645","Present",NA,NA
+"14054","2-(3-Chloro-4-fluorophenyl)-5-[3-(3,4,5-trimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-chloro-4-fluorophenyl)-5-(3-(3,4,5-trimethoxyphenyl...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC(=C3N2C=CC=C3)C4=NN=C(O4)C5=CC(=C(C=C5)F)Cl","WARMZWHBBWRZTA-UHFFFAOYSA-N",155814549,NA,"PDBC14054","763639","Present",NA,NA
+"14055","2-(3-Chloro-benzenesulfonylimino)-imidazolidine-1-carbodithi oic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloro-benzenesulfonylimino)-imidazolidine-1-carbod...",NA,"C1CN(C(=N1)NS(=O)(=O)C2=CC(=CC=C2)Cl)C(=S)SN3CCN4C3=NSC4=S","ZGHYJHPWNLCBRG-UHFFFAOYSA-N",24205514,NA,"PDBC14055","736069","Present",NA,NA
+"14056","2-(3-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-",NA,"C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(N2)N=CC=C3","HZSAAZXBYZMFJN-UHFFFAOYSA-N",386586,NA,"PDBC14056","679034","Present",NA,NA
+"14057","2-(3-Chloro-phenyl)-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chlorophenyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)Cl)NC4C(C(C(C(O4)CO)O)O)O","WHIMPHKFRJHNNB-UHFFFAOYSA-N",363484,NA,"PDBC14057","628408","Present",NA,NA
+"14058","2-(3-Chloroanilino)-3,7-dihydropurin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloroanilino)-9H-purin-6-ol",NA,"C1=CC(=CC(=C1)Cl)NC2=NC3=C(C(=O)N2)NC=N3","GZSSIAWYAPMXAK-UHFFFAOYSA-N",135435079,NA,"PDBC14058","681686","Present",NA,NA
+"14059","2-(3-Chloroanilino)-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloroanilino)-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one",NA,"C1=CC=C(C=C1)C=CC=NN2C(=O)C3=CC=CC=C3N=C2NC4=CC(=CC=C4)Cl","SIYRQDMKYIPYJX-WGXYEJQQSA-N",9572425,NA,"PDBC14059","716048","Present",NA,NA
+"14060","2-(3-Chloroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC(=CC=C4)Cl","ISCOOVSEXNSHME-UHFFFAOYSA-N",376431,NA,"PDBC14060","657345","Present",NA,NA
+"14061","2-(3-Chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloroanilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC(=CC=C4)Cl","TWIYDOGQCIIPPR-UHFFFAOYSA-N",364769,NA,"PDBC14061","631528","Present",NA,NA
+"14062","2-(3-Chlorobenzyl)-3(2H)-cinnolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chlorobenzyl)-3(2H)-cinnolinone",NA,"C1=CC2=CC(=O)N(N=C2C=C1)CC3=CC(=CC=C3)Cl","SIXVZTAGCBDPPF-UHFFFAOYSA-N",368580,NA,"PDBC14062","639676","Present",NA,NA
+"14063","2-(3-Chlorobenzylidene)cycloheptane-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chlorobenzylidene)cycloheptane-1-one",NA,"C1CCC(=CC2=CC(=CC=C2)Cl)C(=O)CC1","VTDQASDBYAELFK-FMIVXFBMSA-N",5469548,NA,"PDBC14063","689957","Present",NA,NA
+"14064","2-(3-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrido[3,2-d][1]benzazepin-6-one, 2-(3-chlorophenyl)-...",NA,"C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC(=CC=C5)Cl","OUUZVUWPJALXST-UHFFFAOYSA-N",389012,NA,"PDBC14064","684480","Present",NA,NA
+"14065","2-(3-Chlorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)- 5,7-dime...",NA,"CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC(=CC=C3)Cl)C","NOFNRYRLTLGEFI-UHFFFAOYSA-N",5468915,NA,"PDBC14065","679038","Present",NA,NA
+"14066","2-(3-Chlorophenyl)-5-methyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-5-methyl-",NA,"CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC(=CC=C3)Cl","ZBQNAMZDRCCHEF-UHFFFAOYSA-N",386587,NA,"PDBC14066","679035","Present",NA,NA
+"14067","2-(3-Chlorophenyl)-5-methyl-4-[(E)-(3-oxonaphthalen-2-ylidene)methyl]-1H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chlorophenyl)-5-methyl-4-[(E)-(3-oxonaphthalen-2-ylidene)methyl]-1H-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C=C3C=C4C=CC=CC4=CC3=O","KMDGIGAWIDZJQR-MHWRWJLKSA-N",54613497,NA,"PDBC14067","751277","Present",NA,NA
+"14068","2-(3-Chlorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-6-methyl-",NA,"CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)Cl)N=C1","FSWIIQLXZOJBSF-UHFFFAOYSA-N",386588,NA,"PDBC14068","679036","Present",NA,NA
+"14069","2-(3-Chlorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(3-chlorophenyl)-7-methyl-",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC(=CC=C3)Cl","NLUIDPUCPOHWAM-UHFFFAOYSA-N",5468914,NA,"PDBC14069","679037","Present",NA,NA
+"14070","2-(3-Chloropropanoyl)-1,2-dihydroisoquinoline-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM32409953",NA,"C1=CC=C2C(N(C=CC2=C1)C(=O)CCCl)C#N","OVKNQLCXEQHYLH-UHFFFAOYSA-N",317098,NA,"PDBC14070","246968","Present",NA,NA
+"14071","2-(3-Chloropropyl)-2,3-dihydro-1,4-benzodioxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chloropropyl)-2,3-dihydro-1,4-benzodioxine",NA,"C1C(OC2=CC=CC=C2O1)CCCCl","SDQZGFJYKGIPLO-UHFFFAOYSA-N",377582,NA,"PDBC14071","659150","Present",NA,NA
+"14072","2-(3-Chloropropyloxy)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-chloropropyloxy)naphthazarin",NA,"C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)OCCCCl)O","ZLWSJWDUCGYJOA-UHFFFAOYSA-N",378771,NA,"PDBC14072","661941","Present",NA,NA
+"14073","2-(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Cyano-4,6-dimethylpyridin-2-yl)sulfanyl-4,6-dimethyl-5-nitropyridine-3-carbonitrile",NA,"CC1=CC(=NC(=C1C#N)SC2=NC(=C(C(=C2C#N)C)[N+](=O)[O-])C)C","JAYWMTKQELTVCM-UHFFFAOYSA-N",334421,NA,"PDBC14073","339594","Present",NA,NA
+"14074","2-(3-Cyano-5,5-dimethyl-4-(2-(4-pyridinyl)vinyl)-2(5H)-furanylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Cyano-5,5-dimethyl-4-(2-(4-pyridinyl)vinyl)-2(5H)-furanylidene)malononitrile",NA,"CC1(C(=C(C(=C(C#N)C#N)O1)C#N)C=CC2=CC=NC=C2)C","XXPCRXZTYVDCJZ-ONEGZZNKSA-N",5469325,NA,"PDBC14074","686342","Present",NA,NA
+"14075","2-(3-Cyclopentyloxy-4-methoxyphenyl)-1-cyclopropyl-4,5-diphenylimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-1-cyclopropyl-4,5...",NA,"COC1=C(C=C(C=C1)C2=NC(=C(N2C3CC3)C4=CC=CC=C4)C5=CC=CC=C5)OC6CCCC6","PKBLKAVYBMQEQZ-UHFFFAOYSA-N",101887362,NA,"PDBC14075","771426","Present",NA,NA
+"14076","2-(3-Cyclopentyloxy-4-methoxyphenyl)-4,5-diphenyl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-4,5-diphenyl-1H-i...",NA,"COC1=C(C=C(C=C1)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)OC5CCCC5","ZIIQYJOAYAEKNK-UHFFFAOYSA-N",101887360,NA,"PDBC14076","771434","Present",NA,NA
+"14077","2-(3-Dimethylamino-phenyl)-6,7-dimethoxy-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Dimethylamino-phenyl)-6,7-dimethoxy-1H-quinolin-4-one",NA,"CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=CC(=C(C=C3N2)OC)OC","PJWSCEXBDGWQOM-UHFFFAOYSA-N",375363,NA,"PDBC14077","654987","Present",NA,NA
+"14078","2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Dimethylamino-phenyl)-6-methoxy-1H-quinolin-4-one",NA,"CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)OC","UOIMUFPOYNIRLB-UHFFFAOYSA-N",379511,NA,"PDBC14078","664168","Present",NA,NA
+"14079","2-(3-Ethoxy-4-hydroxyphenyl)-3-[2-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Ethoxy-4-hydroxyphenyl)-3-[2-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one",NA,"CCOC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC(=C(C=C7)O)OCC)O","VVWWZRCNTGXOOA-UHFFFAOYSA-N",398511,NA,"PDBC14079","708422","Present",NA,NA
+"14080","2-(3-Ethyl-4,8-dimethyl-2-oxochromen-7-yl)oxy-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-((3-ethyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl)oxy)-...",NA,"CCC1=C(C2=C(C(=C(C=C2)OCC(=O)N=NC3=C(NC4=CC=CC=C43)O)C)OC1=O)C","MHVHEFRPWOJOAG-UHFFFAOYSA-N",155815030,NA,"PDBC14080","795489","Present",NA,NA
+"14081","2-(3-Ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrole-2-ylidenemethyl)-3-methyl-5-(ethoxycarbonyl)-1H-pyrrole-4-propionic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(Z)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate",NA,"CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)C(=O)OCC)CCC(=O)OCC)C)C","QHLGEWFJGYRRAC-BOPFTXTBSA-N",6520746,NA,"PDBC14081","718504","Present",NA,NA
+"14082","2-(3-Ethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Ethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione",NA,"CCC1=NNC(=O)N1N2C(=O)C3CCCCC3C2=O","JPGFPHFQUHXOEH-UHFFFAOYSA-N",388168,NA,"PDBC14082","682732","Present",NA,NA
+"14083","2-(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione",NA,"CCC1=NNC(=O)N1N2C(=O)C3CC=CCC3C2=O","IBTIDGSNJWDMFM-UHFFFAOYSA-N",387564,NA,"PDBC14083","681521","Present",NA,NA
+"14084","2-(3-Ethylureido)-6-methylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UDP-4",NA,"CCNC(=O)NC1=CC=CC(=N1)C","HYZAWROTMYAUAQ-UHFFFAOYSA-N",126618,NA,"PDBC14084","656958","Present",NA,NA
+"14085","2-(3-Ethynylphenyl)-5-[4-[[4-[2-(3-ethynylphenyl)-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl]phenyl]methyl]phenyl]-4,6,7-triphenyl-isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-(4,4'-methylenebis(4,1-phenylene))bis(2-(3-ethynylp...",NA,"C#CC1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=C(C(=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)CC7=CC=C(C=C7)C8=C(C9=C(C(=C8C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N(C9=O)C1=CC=CC(=C1)C#C)C1=CC=CC=C1)C1=CC=CC=C1","PCUGFOAIDOVAPQ-UHFFFAOYSA-N",16129766,NA,"PDBC14085","633251","Present",NA,NA
+"14086","2-(3-Fluorobenzylidene)cycloheptane-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Fluorobenzylidene)cycloheptane-1-one",NA,"C1CCC(=CC2=CC(=CC=C2)F)C(=O)CC1","SBGXNYWOLDKUOX-FMIVXFBMSA-N",5469550,NA,"PDBC14086","689959","Present",NA,NA
+"14087","2-(3-Fluorophenyl)-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z666586360",NA,"C1=CC=C2C(=C1)C(=O)NC(=N2)C3=CC(=CC=C3)F","SZXYHOIFTIWFNM-UHFFFAOYSA-N",135489883,NA,"PDBC14087","690276","Present",NA,NA
+"14088","2-(3-Fluorophenyl)-4,6-dimethoxy-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dimethoxy-6-(3'-fluorophenyl)-1,3,5-triazine",NA,"COC1=NC(=NC(=N1)C2=CC(=CC=C2)F)OC","XITBTGCUXWCQIV-UHFFFAOYSA-N",405722,NA,"PDBC14088","723250","Present",NA,NA
+"14089","2-(3-Fluorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrr...",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC(=CC=C4)F","YLXMCAADMWSAEH-UHFFFAOYSA-N",53361472,NA,"PDBC14089","749868","Present",NA,NA
+"14090","2-(3-Fluorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b...",NA,"C1=CC(=CC(=C1)F)C2=NC(=CS2)C3=CNC4=C3C=CC=N4","GZBXLRAATULXMI-UHFFFAOYSA-N",54613609,NA,"PDBC14090","749867","Present",NA,NA
+"14091","2-(3-Fluorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Fluorophenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC(=CC=C3)F)C","JNJKKBAULISGAT-UHFFFAOYSA-N",5468785,NA,"PDBC14091","676192","Present",NA,NA
+"14092","2-(3-Fluorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Fluorophenyl)-6-methyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)F)N=C1","AMJPGRQDFBNSON-UHFFFAOYSA-N",385186,NA,"PDBC14092","676190","Present",NA,NA
+"14093","2-(3-Fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Fluorophenyl)-7-methyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC(=CC=C3)F","AFJQIXFUZDUCHX-UHFFFAOYSA-N",5468784,NA,"PDBC14093","676191","Present",NA,NA
+"14094","2-(3-Furyl)-4-methyl-2,3-dihydro-1H-1,5-benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Furyl)-4-methyl-2,3-dihydro-1H-1,5-benzodiazepine",NA,"CC1=NC2=CC=CC=C2NC(C1)C3=COC=C3","ONXPPDDQLOKPDH-UHFFFAOYSA-N",367777,NA,"PDBC14094","637716","Present",NA,NA
+"14095","2-(3-Hydroxy-2-phenyl-4H-pyrazolo[1,5-a]indol-4-yl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Hydroxy-2-phenyl-4H-pyrazolo[1,5-a]indol-4-yl)ethyl acetate",NA,"CC(=O)OCCC1C2=CC=CC=C2N3C1=C(C(=N3)C4=CC=CC=C4)O","XCDDVPRGKBRWIM-UHFFFAOYSA-N",385319,NA,"PDBC14095","676436","Present",NA,NA
+"14096","2-(3-Hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(3-(hydroxy(oxido)amino)phenyl)-2-(((4-methylphenyl)sulfonyl)hydrazono)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(4-Methylphenyl)sulfonylhydrazinylidene]-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-N-(3-nitrophenyl)acetamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]","LHGNMEIQHNGABT-MEFGMAGPSA-N",135499161,NA,"PDBC14096","641604","Present",NA,NA
+"14097","2-(3-Hydroxy-6-methyl-2-quinoxalinyl)-1-(2-naphthyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Hydroxy-6-methylquinoxalin-2-yl)-1-(naphthalen-2-yl...",NA,"CC1=CC2=C(C=C1)N=C(C(=O)N2)CC(=O)C3=CC4=CC=CC=C4C=C3","SEYYOHAUIYZCIO-UHFFFAOYSA-N",341294,NA,"PDBC14097","373058","Present",NA,NA
+"14098","2-(3-Hydroxyadamantan-1-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3-adamantaneacetic acid",NA,"C1C2CC3(CC1CC(C2)(C3)O)CC(=O)O","JFMDWSCOQLUOCZ-UHFFFAOYSA-N",429307,NA,"PDBC14098","252898","Present",NA,NA
+"14099","2-(3-Hydroxypropyl)-2,12,12-trimethylcyclododecanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Hydroxypropyl)-2,12,12-trimethylcyclododecanone",NA,"CC1(CCCCCCCCCC(C1=O)(C)CCCO)C","JNIUOAYARRBAAN-UHFFFAOYSA-N",385901,NA,"PDBC14099","677302","Present",NA,NA
+"14100","2-(3-Hydroxypropyl)-2,8,8-trimethylcyclooctanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Hydroxypropyl)-2,8,8-trimethylcyclooctanone",NA,"CC1(CCCCCC(C1=O)(C)CCCO)C","XUSLTPZOZMXZSJ-UHFFFAOYSA-N",385903,NA,"PDBC14100","677304","Present",NA,NA
+"14101","2-(3-Imino-1-phenyl-4-pyrazolidinyl)-N-(2-methylphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Imino-1-phenyl-4-pyrazolidinyl)-N-(2-methylphenyl)-2-oxoacetamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)C2CN(N=C2N)C3=CC=CC=C3","KCMLETIBASZIJT-UHFFFAOYSA-N",361448,NA,"PDBC14101","624470","Present",NA,NA
+"14102","2-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxo-N-(1,3-thiazol-2-yl)acetamide",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=NC=CS3","CGTRBXZYJYUZHW-UHFFFAOYSA-N",364962,NA,"PDBC14102","631848","Present",NA,NA
+"14103","2-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)N","CSAKAPYQGJKLFJ-UHFFFAOYSA-N",360655,NA,"PDBC14103","622973","Present",NA,NA
+"14104","2-(3-Imino-6-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]quinoxalin-1-yl)-N,N-dimethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Imino-6-(trifluoromethyl)-2,3-dihydro-1H-pyrazolo[3,4-b]quinoxalin-1-yl)-N,N-dimethylethanamine",NA,"CN(C)CCN1C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=N1)N","PMHIGNGCXWUSEW-UHFFFAOYSA-N",394343,NA,"PDBC14104","697712","Present",NA,NA
+"14105","2-(3-Iminobenzo[f]chromen-2-yl)quinazolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Iminobenzo[f]chromen-2-yl)-1H-quinazolin-4-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C(=N)O3)C4=NC5=CC=CC=C5C(=O)N4","XQGKOSUVQGKETE-UHFFFAOYSA-N",135489852,NA,"PDBC14105","684976","Present",NA,NA
+"14106","2-(3-Iodo-4-hydroxy-5-methoxyphenyl)-3-(4-chlorophenyl)thiazolidine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=C(C(=CC(=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)Cl)I)O","VPUNEHVWCPVDTM-UHFFFAOYSA-N",402891,NA,"PDBC14106","717208","Present",NA,NA
+"14107","2-(3-Isoapropoxyphenyl)-3-phenylamino-2H-pyrido[4,2,4-thiadiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Isoapropoxyphenyl)-3-phenylamino-2H-pyrido[4,3-e]-1...",NA,"CC(C)OC1=CC=CC(=C1)N2C(=NC3=C(S2(=O)=O)C=NC=C3)NC4=CC=CC=C4","BMQQODUXTIJXJO-UHFFFAOYSA-N",399798,NA,"PDBC14107","710897","Present",NA,NA
+"14108","2-(3-Isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride",NA,"CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=CC=C3)N=C=S.Cl","OMHANSMMAIPTPO-HLRBRJAUSA-N",54611468,NA,"PDBC14108","707824","Present",NA,NA
+"14109","2-(3-Mesityl-5-(4-methoxyphenyl)-4-isoxazolyl)-1,4,5,6-tetrahydropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4,6-Trimethylphenyl)-4-(2-tetrahydroprimidinyl)-5- ...",NA,"CC1=CC(=C(C(=C1)C)C2=NOC(=C2C3=NCCCN3)C4=CC=C(C=C4)OC)C","NWBBVTMWPWDMNB-UHFFFAOYSA-N",371104,NA,"PDBC14109","645051","Present",NA,NA
+"14110","2-(3-Methoxy-3-methyl-butane)-3-indole-acetic acid N(^pi)-methylhistamine amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(3-Methoxy-3-methylbutyl)-1H-indol-3-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide",NA,"CC(C)(CCC1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN=CN3C)OC","IVBJGZCJIPBHBU-UHFFFAOYSA-N",398078,NA,"PDBC14110","707443","Present",NA,NA
+"14111","2-(3-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbodith ioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbo...",NA,"COC1=CC(=CC=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S","QLBZXUCFNVCARB-UHFFFAOYSA-N",24205511,NA,"PDBC14111","736066","Present",NA,NA
+"14112","2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxy-phenyl)-6-morpholin-4-yl-1H-quinolin-4-one",NA,"COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N4CCOCC4","BSCMVEMZGHZNBZ-UHFFFAOYSA-N",379512,NA,"PDBC14112","664169","Present",NA,NA
+"14113","2-(3-Methoxy-phenyl)-6-pyrrolidin-1-yl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinolinone, 6-(1-pyrrolidinyl)-2-(3- methoxyphenyl)-",NA,"COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N4CCCC4","GVMDHCGKOFHSHB-UHFFFAOYSA-N",379514,NA,"PDBC14113","664171","Present",NA,NA
+"14114","2-(3-Methoxyanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,"COC1=CC=CC(=C1)NCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4","QGSXHNDWNRJDQT-UHFFFAOYSA-N",376436,NA,"PDBC14114","657350","Present",NA,NA
+"14115","2-(3-Methoxyphenyl)-1,8-naphthyridin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenyl)-1,8-naphthyridin-4(1h)-one",NA,"COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)N=CC=C3","DVIFGVPPUSCDGE-UHFFFAOYSA-N",381133,NA,"PDBC14115","667450","Present",NA,NA
+"14116","2-(3-Methoxyphenyl)-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(3-Methoxyphenyl)acetyl]-4-(3-phenylpropyl)piperazine ethanedioate",NA,"COC1=CC=CC(=C1)CC(=O)N2CCN(CC2)CCCC3=CC=CC=C3.C(=O)(C(=O)O)O","ZUULNFFVGKGXGK-UHFFFAOYSA-N",401819,NA,"PDBC14116","715539","Present",NA,NA
+"14117","2-(3-Methoxyphenyl)-2,13b-dihydro-1H-benzimidazo[1,2-a]pyrazolo[4,3-c]quinolin-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methoxyphenyl)-4,5,13,20-tetrazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(20),5,7,9,11,14,16,18-octaen-3-amine",NA,"COC1=CC=CC(=C1)N2C(C3C(=N2)C4=CC=CC=C4N5C3=NC6=CC=CC=C65)N","JHUBGNJWZUIEKN-UHFFFAOYSA-N",392514,NA,"PDBC14117","693031","Present",NA,NA
+"14118","2-(3-Methoxyphenyl)-3a,3b,4,5,6,6a,11,11b-octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methoxyphenyl)-4,19-diazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1(12),13,15,17-tetraene-3,5-dione",NA,"COC1=CC=CC(=C1)N2C(=O)C3C4CCCC4C5=C(C3C2=O)NC6=CC=CC=C65","OHMBYDILZVAUPW-UHFFFAOYSA-N",378587,NA,"PDBC14118","661227","Present",NA,NA
+"14119","2-(3-Methoxyphenyl)-5,7-dimethyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC(=CC=C3)OC)C","YKYNUSIUKQDIRP-UHFFFAOYSA-N",5468699,NA,"PDBC14119","674679","Present",NA,NA
+"14120","2-(3-Methoxyphenyl)-5,9-dimethyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methoxyphenyl)-9,16-dimethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)C)C(=O)N(C3=O)C6=CC(=CC=C6)OC","NANZBUUOWZZXFV-UHFFFAOYSA-N",381739,NA,"PDBC14120","668599","Present",NA,NA
+"14121","2-(3-Methoxyphenyl)-5-methyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4-ol",NA,"CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC(=CC=C3)OC","LLTSXLVHZVTDMZ-UHFFFAOYSA-N",384634,NA,"PDBC14121","674677","Present",NA,NA
+"14122","2-(3-Methoxyphenyl)-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenyl)-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one",NA,"CC1C(=O)N(C(S1)C2=CC(=CC=C2)OC)CCC3=CC=CS3","JJTPJRZBNBSRAB-UHFFFAOYSA-N",60147817,NA,"PDBC14122","752473","Present",NA,NA
+"14123","2-(3-Methoxyphenyl)-5-neopentyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenyl)-5-neopentyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CC(C)(C)CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC(=CC=C5)OC","QRWXHCBPNZPYER-UHFFFAOYSA-N",378588,NA,"PDBC14123","661228","Present",NA,NA
+"14124","2-(3-Methoxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC(=CC=C3)OC","DWZSCRKWOLCKGR-UHFFFAOYSA-N",364119,NA,"PDBC14124","629788","Present",NA,NA
+"14125","2-(3-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one",NA,"CC1=CC2=C(NC(=CC2=O)C3=CC(=CC=C3)OC)N=C1","KEHHYURJHUIQKN-UHFFFAOYSA-N",381134,NA,"PDBC14125","667451","Present",NA,NA
+"14126","2-(3-Methoxyphenyl)-6-piperidin-1-yl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenyl)-6-(piperidin-1-yl)quinolin-4(1H)-one",NA,"COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N4CCCCC4","CRDNHGGEVYYBPA-UHFFFAOYSA-N",381129,NA,"PDBC14126","667446","Present",NA,NA
+"14127","2-(3-Methoxyphenyl)-7-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(3-methoxyphenyl)-7-methyl-",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC(=CC=C3)OC","UEXKSRLFFBWLCG-UHFFFAOYSA-N",5468698,NA,"PDBC14127","674678","Present",NA,NA
+"14128","2-(3-Methoxyphenyl)quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-M2491",NA,"COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=O)N2","DUQSFLFKFAGWIS-UHFFFAOYSA-N",135486399,NA,"PDBC14128","682437","Present",NA,NA
+"14129","2-(3-Methoxyphenyl)quinolin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenyl)quinolin-4(1h)-one",NA,"COC1=CC=CC(=C1)C2=CC(=O)C3=CC=CC=C3N2","NINMRZJWLHKQKT-UHFFFAOYSA-N",375359,NA,"PDBC14129","654983","Present",NA,NA
+"14130","2-(3-Methoxyphenylmethylene)-1-cycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenylmethylene)-1-cycloheptanone",NA,"COC1=CC=CC(=C1)C=C2CCCCCC2=O","QWFOPTCAMZYFJR-JLHYYAGUSA-N",5469544,NA,"PDBC14130","689953","Present",NA,NA
+"14131","2-(3-Methyl-1,3-oxazolidin-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methyl-1,3-oxazolidin-2-yl)phenol",NA,"CN1CCOC1C2=CC=CC=C2O","VOYYOKKUZFMQPX-UHFFFAOYSA-N",388445,NA,"PDBC14131","683371","Present",NA,NA
+"14132","2-(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2-oxoethyl 1-azepanecarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)-2-oxoethyl 1-azepanecarbodithioate",NA,"CN1C2=C(C=C(C=C2)C(=O)CSC(=S)N3CCCCCC3)OC1=O","YEXQQFPGCAQANB-UHFFFAOYSA-N",377208,NA,"PDBC14132","658438","Present",NA,NA
+"14133","2-(3-Methyl-4-(sulfoamine)phenyl)benzo[d]thiazole, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methyl-4-(sulfoamine)phenyl)benzo[d]thiazole, sodiu...",NA,"CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NS(=O)(=O)O.[Na+]","KGEDMZUXMXUVPA-UHFFFAOYSA-N",54608980,NA,"PDBC14133","697526","Present",NA,NA
+"14134","2-(3-Methyl-4-aminophenyl)benzothiazole-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methyl-4-aminophenyl)benzothiazole-5-ol",NA,"CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)O)N","LQCKHFDCMYFMGM-UHFFFAOYSA-N",396814,NA,"PDBC14134","703787","Present",NA,NA
+"14135","2-(3-Methyl-4-phenylpiperazin-1-yl)ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC87112",NA,"CC1CN(CCN1C2=CC=CC=C2)CCO.Cl","RORITWMOYZDFAH-UHFFFAOYSA-N",24189273,NA,"PDBC14135","87112","Present",NA,NA
+"14136","2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)-2-thiazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methyl-5-nitro-3H-imidazol-4-ylthio)-2-thiazoline",NA,"CN1C=NC(=C1SC2=NCCS2)[N+](=O)[O-]","SZOFRUVPZXTIAA-UHFFFAOYSA-N",364621,NA,"PDBC14136","631153","Present",NA,NA
+"14137","2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanyl-3H-imidazo[4,5-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-imidazo[4,5-b]pyridine",NA,"CN1C=NC(=C1SC2=NC3=C(N2)C=CC=N3)[N+](=O)[O-]","COQIPMYJLGYACL-UHFFFAOYSA-N",364607,NA,"PDBC14137","631135","Present",NA,NA
+"14138","2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanyl-5-nitro-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-5-nitro-",NA,"CN1C=NC(=C1SC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","LZKIRLIUPOKKBU-UHFFFAOYSA-N",364603,NA,"PDBC14138","631131","Present",NA,NA
+"14139","2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylpyridine",NA,"CN1C=NC(=C1SC2=CC=CC=N2)[N+](=O)[O-]","XENAPVUVHXXRRF-UHFFFAOYSA-N",364613,NA,"PDBC14139","631142","Present",NA,NA
+"14140","2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylpyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methyl-5-nitro-imidazol-4-yl)sulfanylpyrimidin-4-ol",NA,"CN1C=NC(=C1SC2=NC=CC(=O)N2)[N+](=O)[O-]","GYNMAAFHDIRDFZ-UHFFFAOYSA-N",364615,NA,"PDBC14140","631145","Present",NA,NA
+"14141","2-(3-Methyl-5-oxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methyl-5-oxo-1H-1,2,4-triazol-4-yl)isoindoline-1,3-dione",NA,"CC1=NNC(=O)N1N2C(=O)C3=CC=CC=C3C2=O","XYDDQDIRSFXNJT-UHFFFAOYSA-N",390056,NA,"PDBC14141","686970","Present",NA,NA
+"14142","2-(3-Methylbutylsulfanyl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methylbutylsulfanyl)naphthalene-1,4-dione",NA,"CC(C)CCSC1=CC(=O)C2=CC=CC=C2C1=O","MWXOICKRBDTGJY-UHFFFAOYSA-N",315743,NA,"PDBC14142","241494","Present",NA,NA
+"14143","2-(3-Methylene-1-azetidinyl)-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methylene-1-azetidinyl)-4,5-dihydro-1,3-oxazole",NA,"C=C1CN(C1)C2=NCCO2","RKVBMQAVJSPNFZ-UHFFFAOYSA-N",379845,NA,"PDBC14143","664977","Present",NA,NA
+"14144","2-(3-Methylphenyl)-2,3-dihydroquinazolin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinazolinone, 2,3-dihydro-2-(3-methylphenyl)-",NA,"CC1=CC(=CC=C1)C2NC3=CC=CC=C3C(=O)N2","IZRZUJFPYGNHRH-UHFFFAOYSA-N",292559,NA,"PDBC14144","158388","Present",NA,NA
+"14145","2-(3-Methylphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methylphenyl)-5,7-dimethyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=C(C=C3C)C","RXJJJRMOQDHINF-UHFFFAOYSA-N",5468783,NA,"PDBC14145","676189","Present",NA,NA
+"14146","2-(3-Methylphenyl)-5-methyl-1,8-naphthyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-(3-methylphenyl)-1,8-naphthyridin-4-ol",NA,"CC1=CC(=CC=C1)C2=CC(=O)C3=C(C=CN=C3N2)C","ZLZNSSZWWMBAMD-UHFFFAOYSA-N",385182,NA,"PDBC14146","676186","Present",NA,NA
+"14147","2-(3-Methylphenyl)-6-nitro-4h-3,1-benzoxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methylphenyl)-6-nitro-4h-3,1-benzoxazin-4-one",NA,"CC1=CC(=CC=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2","ALSLPTLXOJEJKL-UHFFFAOYSA-N",385048,NA,"PDBC14147","675969","Present",NA,NA
+"14148","2-(3-Methylphenyl)-6-pyrrolidin-1-yl-1H-quinoline-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methylphenyl)-6-pyrrolidin-1-yl-1H-quinoline-4-thione",NA,"CC1=CC(=CC=C1)C2=CC(=S)C3=C(N2)C=CC(=C3)N4CCCC4","KYDHNVIVQYFGMK-UHFFFAOYSA-N",5042811,NA,"PDBC14148","700271","Present",NA,NA
+"14149","2-(3-Morpholinopropionylamino)-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(3-morpholinopropanoylamino)thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CCN2CCOCC2","VJZVJEWDALJRPW-UHFFFAOYSA-N",396829,NA,"PDBC14149","703833","Present",NA,NA
+"14150","2-(3-N(^tau)-Histaminesuccinimide-3-methyl-1-butanone)-indole acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-[3-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]imidazol-1-yl]-3-methylbutanoyl]-1H-indol-3-yl]acetate",NA,"CC(C)(CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)OC)N3C=C(N=C3)CCN4C(=O)CCC4=O","NWPINTNBAXFHCO-UHFFFAOYSA-N",398080,NA,"PDBC14150","707445","Present",NA,NA
+"14151","2-(3-Nitro-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylidene)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Nitro-6,7,8,9-tetrahydro-5h-benzo[7]annulen-5-ylidene)propanedinitrile",NA,"C1CCC(=C(C#N)C#N)C2=C(C1)C=CC(=C2)[N+](=O)[O-]","QJBUUFXCZZAXPD-UHFFFAOYSA-N",401107,NA,"PDBC14151","714001","Present",NA,NA
+"14152","2-(3-Nitroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Nitroanilino)-N-(4-oxo-2-phenyl-quinazolin-3-yl)acetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC(=CC=C4)[N+](=O)[O-]","FYDLBNBDHQYMSQ-UHFFFAOYSA-N",376434,NA,"PDBC14152","657348","Present",NA,NA
+"14153","2-(3-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","OEAHDHOTBUXGEA-UHFFFAOYSA-N",384568,NA,"PDBC14153","674582","Present",NA,NA
+"14154","2-(3-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","XANGYFXKCZCTHO-UHFFFAOYSA-N",384553,NA,"PDBC14154","674567","Present",NA,NA
+"14155","2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrazine",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CN=CC3=N2)N=O","ONSOYMLQPOYHMD-UHFFFAOYSA-N",339984,NA,"PDBC14155","369067","Present",NA,NA
+"14156","2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Nitrophenyl)-3-nitrosoimidazo[1,2-a]pyrimidine",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CC=NC3=N2)N=O","QPWJAIUKYMKWGA-UHFFFAOYSA-N",339983,NA,"PDBC14156","369066","Present",NA,NA
+"14157","2-(3-Nitrophenyl)-4,5-diphenyl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_010914",NA,"C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4","ITVOIJZUSZICMF-UHFFFAOYSA-N",262432,NA,"PDBC14157","95929","Present",NA,NA
+"14158","2-(3-Nitrophenyl)-5H-indeno[1,2-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Nitrophenyl)-5H-indeno[1,2-d]pyrimidine",NA,"C1C2=CC=CC=C2C3=NC(=NC=C31)C4=CC(=CC=C4)[N+](=O)[O-]","KODIFUTVLXURDD-UHFFFAOYSA-N",387029,NA,"PDBC14158","680349","Present",NA,NA
+"14159","2-(3-Nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Nitrophenyl)-9,9a-dihydro-3aH-pyrrolo[3,4-b][1,4]benzothiazine-1,3-dione",NA,"C1=CC=C2C(=C1)NC3C(S2)C(=O)N(C3=O)C4=CC(=CC=C4)[N+](=O)[O-]","YLNRKQNNHZDAES-UHFFFAOYSA-N",367051,NA,"PDBC14159","636379","Present",NA,NA
+"14160","2-(3-Oxo-2,4-dihydro-1H-quinoxalin-2-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Oxo-2,4-dihydro-1H-quinoxalin-2-yl)propanoic acid",NA,"CC(C1C(=O)NC2=CC=CC=C2N1)C(=O)O","GBZUOJQTBDVDKV-UHFFFAOYSA-N",389685,NA,"PDBC14160","686140","Present",NA,NA
+"14161","2-(3-Oxo-2-phenacyl-indan-1-ylidene)indane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenacyl-3-(1',3'-dioxoindan-2'-ylidene)-indan-1-one,",NA,"C1=CC=C(C=C1)C(=O)CC2C(=C3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5C2=O","WSIXRANOLJEHJJ-UHFFFAOYSA-N",373904,NA,"PDBC14161","650910","Present",NA,NA
+"14162","2-(3-Oxo-5-phenylfuran-2-yl)-4H-1,4-benzothiazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Oxo-5-phenyl-2-furyl)-4h-1,4-benzothiazin-3-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C(O2)C3C(=O)NC4=CC=CC=C4S3","BCFNPRUOACIRJE-UHFFFAOYSA-N",398014,NA,"PDBC14162","707087","Present",NA,NA
+"14163","2-(3-Phenyl-2-propenylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-[(E)-3-phenylprop-2-enylidene]cyclohexanone",NA,"C1CCC(=O)C(=CC=CC2=CC=CC=C2)C1","XFFXAUBIJLXWQS-OOTJYPRASA-N",5382767,NA,"PDBC14163","151020","Present",NA,NA
+"14164","2-(3-Phenyl-2-propenylidene)cyclohexanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Phenyl-2-propenylidene)cyclohexanone oxime",NA,"C1CCC(=NO)C(=CC=CC2=CC=CC=C2)C1","NTZJGJWGZJESSH-OVBGRPKISA-N",6376016,NA,"PDBC14164","145684","Present",NA,NA
+"14165","2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malononitrile",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=C(C#N)C#N)N2C4=CC=CC=C4","MLADKRXBDKHQRM-UHFFFAOYSA-N",383253,NA,"PDBC14165","671367","Present",NA,NA
+"14166","2-(3-Piperidinopropionylamino)-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[3-(1-piperidyl)propanoylamino]thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CCN2CCCCC2","IEHREIGPZOQNPR-UHFFFAOYSA-N",396828,NA,"PDBC14166","703832","Present",NA,NA
+"14167","2-(3-Pyridin-2-yl-1,2,4-triazaspiro[4.5]dec-3-en-1-yl)-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1,3-Benzothiazol-2-yl)-3-(2-pyridyl)-1,2,4-triazaspiro[4.5]dec-3-ene",NA,"C1CCC2(CC1)N=C(NN2C3=NC4=CC=CC=C4S3)C5=CC=CC=N5","SGBMKKOYUXVLMJ-UHFFFAOYSA-N",398870,NA,"PDBC14167","709091","Present",NA,NA
+"14168","2-(3-Pyridyl)-1-(4-pyridyl)-4-(2-thienyl)-4H-furo[3,4-b]pyridine-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Pyridyl)-1-(4-pyridyl)-4-(2-thienyl)-4H-furo[3,4-b]pyridine-5,7-dione",NA,"C1=CC(=CN=C1)C2=CC(C3=C(N2C4=CC=NC=C4)C(=O)OC3=O)C5=CC=CS5","LROWRALVPVZZDK-UHFFFAOYSA-N",392299,NA,"PDBC14168","692575","Present",NA,NA
+"14169","2-(3-Pyridyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Pyridyl)benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CN=CC=C3","MUDNLVWBCWZIMA-UHFFFAOYSA-N",235922,NA,"PDBC14169","37812","Present",NA,NA
+"14170","2-(3-Pyridylmethylamino)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Pyridylmethylamino)-9H-purin-6-ol",NA,"C1=CC(=CN=C1)CNC2=NC3=C(C(=O)N2)NC=N3","PPURMUWHHQALEI-UHFFFAOYSA-N",135418772,NA,"PDBC14170","682524","Present",NA,NA
+"14171","2-(3-Pyrrolizinopropionylamino)-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(3-pyrrolidin-1-ylpropanoylamino)thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CCN2CCCC2","DPCGCBCJOCAXLF-UHFFFAOYSA-N",396827,NA,"PDBC14171","703831","Present",NA,NA
+"14172","2-(3-Tert-Butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)butanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Tert-Butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)butanal",NA,"CCC(C=O)P1(=O)N(CC(O1)(C)C)C(C)(C)C","KCPBRZSTCIPDLY-UHFFFAOYSA-N",395329,NA,"PDBC14172","699811","Present",NA,NA
+"14173","2-(3-Thietanyloxy)tetrahydro-2H-pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Thietanyloxy)tetrahydro-2H-pyran",NA,"C1CCOC(C1)OC2CSC2","ZUSBYWIFLDBSNP-UHFFFAOYSA-N",373715,NA,"PDBC14173","650616","Present",NA,NA
+"14174","2-(3-Trifluoromethoxy-benzenesulfonylimino)-imidazolidin...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Trifluoromethoxy-benzenesulfonylimino)-imidazolidin...",NA,"C1CN(C(=N1)NS(=O)(=O)C2=CC=CC(=C2)OC(F)(F)F)C(=S)SN3CCN4C3=NSC4=S","UWEMRDAZSRCRSC-UHFFFAOYSA-N",24205513,NA,"PDBC14174","736068","Present",NA,NA
+"14175","2-(3-Trifluoromethyl-4-nitro-benzyl)-1H-naphth[2,3-d]imidazo le",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-trifluoromethyl-4-nitro-benzyl)-1H-naphth[2,3-d]imi...",NA,"C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC(=C(C=C4)[N+](=O)[O-])C(F)(F)F","UXKBPVNGOWRNSR-UHFFFAOYSA-N",406458,NA,"PDBC14175","724549","Present",NA,NA
+"14176","2-(3-{4-[5-(4-Methyl piperazino)-1H-benzo[d]imidazol-2-yl]phenoxy}propyl-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-{4-[5-(4-methyl piperazino)-1H-benzo[d]imidazol-2-y...",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O","KNRGNAFDDSPVOF-UHFFFAOYSA-N",24206027,NA,"PDBC14176","737735","Present",NA,NA
+"14177","2-(3a,7a-Dimethyl-1,3,4,5,6,7-hexahydro-4,7-epoxyisoindol-2-yl)ethyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3a,7a-Dimethyl-1,3,4,5,6,7-hexahydro-4,7-epoxyisoindol-2-yl)ethyl-trimethylazanium;iodide",NA,"CC12CN(CC1(C3CCC2O3)C)CC[N+](C)(C)C.[I-]","MUOSUCASMJZYRT-UHFFFAOYSA-M",5351865,NA,"PDBC14177","67852","Present",NA,NA
+"14178","2-(4'-Chloro-2'-methylbenzoyl)-1-naphthalenecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4'-Chloro-2'-methylbenzoyl)-1-naphthalenecarboxylic acid",NA,"CC1=C(C=CC(=C1)Cl)C(=O)C2=C(C3=CC=CC=C3C=C2)C(=O)O","QDRKMWOENMBRNY-UHFFFAOYSA-N",369146,NA,"PDBC14178","640732","Present",NA,NA
+"14179","2-(4,4-Dimethyl-2,6-dioxocyclohexyl)-2-((hydrazinocarbothioyl)hydrazono)-N-(6-(hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(Aminocarbamothioylhydrazinylidene)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acetamide",NA,"CC1(CC(=O)C(C(=O)C1)C(=NNC(=S)NN)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C","TYNYJAVJISHGBY-UCQKPKSFSA-N",9556173,NA,"PDBC14179","642052","Present",NA,NA
+"14180","2-(4,5-Dibenzoyl-1,3-dithiol-2-ylidene)-1-ethyl-6-(phenylimino)-3-thioxo-2,3-dihydro-1H-thieno[2,3-b][1,4]thiazin-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-dibenzoyl-1,3-dithiol-2-ylidene)-1-ethyl-6-(pheny...",NA,"CCN1C2=C(SC(=NC3=CC=CC=C3)C2=O)SC(=S)C1=C4SC(=C(S4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6","VPVWISKQRXWFHO-UHFFFAOYSA-N",60147505,NA,"PDBC14180","751393","Present",NA,NA
+"14181","2-(4,5-Dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dichloro-2-isothiocyanatophenyl)-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride",NA,"CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3N=C=S)Cl)Cl.Cl","AVMOGIGMTJJPBN-HLRBRJAUSA-N",54611471,NA,"PDBC14181","707825","Present",NA,NA
+"14182","2-(4,5-Dichloro-6-oxo-pyridazin-1-yl)-2-oxo-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dichloro-6-oxo-pyridazin-1-yl)-2-oxo-acetamide",NA,"C1=NN(C(=O)C(=C1Cl)Cl)C(=O)C(=O)N","NLFSLTLFNXKRMQ-UHFFFAOYSA-N",366292,NA,"PDBC14182","634643","Present",NA,NA
+"14183","2-(4,5-Dihydro-1H-imidazol-2-yl)-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dihydro-1H-imidazol-2-yl)-1-phenylethan-1-one",NA,"C1CN=C(N1)CC(=O)C2=CC=CC=C2","YACFUBILLPHORR-UHFFFAOYSA-N",325968,NA,"PDBC14183","295585","Present",NA,NA
+"14184","2-(4,5-Dihydro-1H-imidazol-2-ylamino)-5,6-dimethoxyisoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dihydro-1H-imidazol-2-ylamino)-5,6-dimethoxy-1H-isoindole-1,3(2H)-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N(C2=O)NC3=NCCN3)OC","ZPNQQBJSSOJVFD-UHFFFAOYSA-N",379551,NA,"PDBC14184","664227","Present",NA,NA
+"14185","2-(4,5-Dihydro-1H-imidazol-2-ylamino)-5-nitrobenzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dihydro-1H-imidazol-2-ylamino)-5-nitro-1H-benzo[de]isoquinoline-1,3(2H)-dione",NA,"C1CN=C(N1)NN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]","WMRNTLXXDVRKAM-UHFFFAOYSA-N",371336,NA,"PDBC14185","645467","Present",NA,NA
+"14186","2-(4,5-Dihydro-1H-imidazol-2-ylamino)isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dihydro-1H-imidazol-2-ylamino)-1H-isoindole-1,3(2H)-dione",NA,"C1CN=C(N1)NN2C(=O)C3=CC=CC=C3C2=O","RJLHYXDCFJBAKQ-UHFFFAOYSA-N",379550,NA,"PDBC14186","664226","Present",NA,NA
+"14187","2-(4,5-Dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone hydrobromide",NA,"C1CN=C(N1)SCC(=O)C2=CC=CC=C2.Br","UFGCDDZQIFGJKH-UHFFFAOYSA-N",5458345,NA,"PDBC14187","160319","Present",NA,NA
+"14188","2-(4,5-Dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dihydro-1H-imidazol-2-ylthio)-2-(methylthio)-1,3-dithia-5,8-diazaspiro[3.4]octane",NA,"CSC1(SC2(S1)NCCN2)SC3=NCCN3","XCQBEENDHMMMRU-UHFFFAOYSA-N",330385,NA,"PDBC14188","318538","Present",NA,NA
+"14189","2-(4,5-Dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl)-1-methyl-2-oxoethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dihydroxy-2-methyl-10-oxo-9,10-dihydro-9-anthracenyl)-1-methyl-2-oxoethyl acetate",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)C(C)OC(=O)C)C=CC=C3O","QTPSLPQIEAJSQF-UHFFFAOYSA-N",369403,NA,"PDBC14189","641173","Present",NA,NA
+"14190","2-(4,5-Dimethoxy-2-nitrophenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636871",NA,"COC1=C(C=C(C(=C1)CC(=O)O)[N+](=O)[O-])OC","WJPMJFUEMVXUCV-UHFFFAOYSA-N",270941,NA,"PDBC14190","636871","Present",NA,NA
+"14191","2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-4,6-dimethyl-[1,3]dithiolo[4,5-d]pyrimidine-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-dimethyl-2,4-dioxo(1H,3H)pyrimido dimethyltetrathiaf...",NA,"CC1=C(SC(=C2SC3=C(S2)N(C(=O)N(C3=O)C)C)S1)C","ZHYZLWFRVZJFOG-UHFFFAOYSA-N",377230,NA,"PDBC14191","658469","Present",NA,NA
+"14192","2-(4,5-Dimethyl-1,3-dithiol-2-ylidene)-4-methyl[1,3]dithiolo[4,5-d]pyrimidine-5,7(4H,6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2,4-dioxo(1H,3H)pyrimido dimethyltetrathiafulva...",NA,"CC1=C(SC(=C2SC3=C(S2)N(C(=O)NC3=O)C)S1)C","JPEKCRXEFNVBIY-UHFFFAOYSA-N",377229,NA,"PDBC14192","658468","Present",NA,NA
+"14193","2-(4,5-Dimethyl-1H-imidazol-1-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dimethyl-1H-imidazol-1-yl)phenol",NA,"CC1=C(N(C=N1)C2=CC=CC=C2O)C","NHXCFCGLJUIIBK-UHFFFAOYSA-N",237975,NA,"PDBC14193","42069","Present",NA,NA
+"14194","2-(4,5-Dinitro-1H-imidazol-2-yl)-4,5-dinitro-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dinitro-1H-imidazol-2-yl)-4,5-dinitro-1H-imidazole",NA,"C1(=C(N=C(N1)C2=NC(=C(N2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","HDNHSJKZJSMCOE-UHFFFAOYSA-N",3755996,NA,"PDBC14194","688043","Present",NA,NA
+"14195","2-(4,5-Dinitro-1H-imidazol-2-yl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,5-Dinitro-1H-imidazol-2-yl)pyridine",NA,"C1=CC=NC(=C1)C2=NC(=C(N2)[N+](=O)[O-])[N+](=O)[O-]","NEAWSHQWBBYUEK-UHFFFAOYSA-N",359346,NA,"PDBC14195","620145","Present",NA,NA
+"14196","2-(4,6-Dihydroxy-5-methyl-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,6-Dihydroxy-5-methyl-2-pyrimidinyl)-1,2,4,5,6,7-hexahydro-3H-indazol-3-one",NA,"CC1=C(N=C(NC1=O)N2C(=O)C3=C(N2)CCCC3)O","ZWUAOCOMXQUBOG-UHFFFAOYSA-N",387157,NA,"PDBC14196","680671","Present",NA,NA
+"14197","2-(4,6-Dimethyl-1,3-dioxo-5-phenylpyrrolo[3,4-c]pyrrol-2-yl)ethyl carbamimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,6-Dimethyl-1,3-dioxo-5-phenylpyrrolo[3,4-c]pyrrol-2-yl)ethyl carbamimidothioate",NA,"CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(C2=O)CCSC(=N)N","MNPPPERJUFSYBS-UHFFFAOYSA-N",401025,NA,"PDBC14197","713730","Present",NA,NA
+"14198","2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,6-Dioxo-1,3-diazinan-2-ylidene)propanedinitrile",NA,"C1C(=O)NC(=C(C#N)C#N)NC1=O","OVIVBDZFPQQIIG-UHFFFAOYSA-N",361891,NA,"PDBC14198","625236","Present",NA,NA
+"14199","2-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-[4-[[4-[[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-oxoacetyl]amino]-3-methyl-5-propan-2-ylphenyl]methyl]-2-methyl-6-propan-2-ylphenyl]-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-[4-[[4-[[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-oxoacetyl]amino]-3-methyl-5-propan-2-ylphenyl]methyl]-2-methyl-6-propan-2-ylphenyl]-2-oxoac",NA,"CC1=CC(=CC(=C1NC(=O)C(=O)C2C(=O)NC(=S)NC2=O)C(C)C)CC3=CC(=C(C(=C3)C)NC(=O)C(=O)C4C(=O)NC(=S)NC4=O)C(C)C","ZQSWSWQPYZXXFM-UHFFFAOYSA-N",3004332,NA,"PDBC14199","645893","Present",NA,NA
+"14200","2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-2-((hydrazinocarbothioyl)hydrazono)-N-(3-hydroxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(Aminocarbamothioylhydrazinylidene)-2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-(3-hydroxyphenyl)acetamide",NA,"C1=CC(=CC(=C1)O)NC(=O)C(=NNC(=S)NN)C2C(=O)NC(=S)NC2=O","KMTCPUMSBRMKTM-UWVJOHFNSA-N",6025013,NA,"PDBC14200","648645","Present",NA,NA
+"14201","2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-2-((hydrazinocarbothioyl)hydrazono)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(Aminocarbamothioylhydrazinylidene)-2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide",NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=NNC(=S)NN)C3C(=O)NC(=S)NC3=O","XPUBDLBLKUBQRT-AFPJDJCSSA-N",5819782,NA,"PDBC14201","644737","Present",NA,NA
+"14202","2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-2-oxo-N-(2,4,5-trichlorophenyl)acetamide",NA,"C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)C(=O)C2C(=O)NC(=S)NC2=O","YQCMAKSQHOECBL-UHFFFAOYSA-N",3004316,NA,"PDBC14202","644739","Present",NA,NA
+"14203","2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-N-(3-hydroxyphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-N-(3-hydroxyphenyl)-2-oxoacetamide",NA,"C1=CC(=CC(=C1)O)NC(=O)C(=O)C2C(=O)NC(=S)NC2=O","GOKJJTRLZXUAQN-UHFFFAOYSA-N",3004286,NA,"PDBC14203","642068","Present",NA,NA
+"14204","2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxoacetamide",NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C3C(=O)NC(=S)NC3=O","IFYDAMWOEKJLSE-UHFFFAOYSA-N",3004370,NA,"PDBC14204","648642","Present",NA,NA
+"14205","2-(4,6-Dioxo-5-phenyltetrahydro-2(1H)-pyrimidinylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,6-Dioxo-5-phenyltetrahydro-2(1H)-pyrimidinylidene)malononitrile",NA,"C1=CC=C(C=C1)C2C(=O)NC(=C(C#N)C#N)NC2=O","WQIZWILKLBDFOD-UHFFFAOYSA-N",361888,NA,"PDBC14205","625233","Present",NA,NA
+"14206","2-(4,6-Ditert-butyl-2,3-dihydroxyphenyl)sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,6-Ditert-butyl-2,3-dihydroxy-phenyl)sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",NA,"CC(C)(C)C1=CC(=C(C(=C1O)O)SC2C(C(C(C(O2)CO)O)O)O)C(C)(C)C","FONYWEYOJOAYCY-UHFFFAOYSA-N",398522,NA,"PDBC14206","708433","Present",NA,NA
+"14207","2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(2-ethoxyphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(2-ethoxyphenyl)-2-oxoacetamide",NA,"CCOC1=CC=CC=C1NC(=O)C(=O)C2=C(C3=C(C=C(C=C3)O)OC2=O)O","CLONDOFVPCZMOZ-UHFFFAOYSA-N",54686205,NA,"PDBC14207","647106","Present",NA,NA
+"14208","2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(2-methylphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(2-methylphenyl)-2-oxoacetamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)C2=C(C3=C(C=C(C=C3)O)OC2=O)O","VWGOOIXPKLAHRN-UHFFFAOYSA-N",54686204,NA,"PDBC14208","647105","Present",NA,NA
+"14209","2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(4-methoxy-2-nitrophenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,7-Dihydroxy-2-oxo-2H-chromen-3-yl)-N-(4-methoxy-2-nitrophenyl)-2-oxoacetamide",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)C2=C(C3=C(C=C(C=C3)O)OC2=O)O)[N+](=O)[O-]","UCKDPASPZJIABB-UHFFFAOYSA-N",54677089,NA,"PDBC14209","647085","Present",NA,NA
+"14210","2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacetamide",NA,"CN(C(=O)CC1=CC=C(C=C1)OCC2=CC(=CC=C2)Cl)O","JCXGUOPPEAUVFZ-UHFFFAOYSA-N",392401,NA,"PDBC14210","692765","Present",NA,NA
+"14211","2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacetamide",NA,"C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)CC(=O)NO","NSKLOLDZYJQXAM-UHFFFAOYSA-N",392399,NA,"PDBC14211","692763","Present",NA,NA
+"14212","2-(4-((4-(Diethylamino)-2-methylphenyl)imino)-1(4H)-naphthalenylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-((4-(Diethylamino)-2-methylphenyl)imino)-1(4H)-naphthalenylidene)malononitrile",NA,"CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=C(C#N)C#N)C3=CC=CC=C23)C","UZYPUCUBYZRBEV-UHFFFAOYSA-N",363172,NA,"PDBC14212","627776","Present",NA,NA
+"14213","2-(4-((4-Amino-2-methylphenyl)diazenyl)phenylsulfonyl)ethanesulfonoperoxoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-((4-amino-2-methylphenyl)diazenyl)phenylsulfonyl)et...",NA,"CC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)S(=O)(=O)CCOS(=O)(=O)O","OHESCKQZCFTCNA-UHFFFAOYSA-N",42614805,NA,"PDBC14213","676914","Present",NA,NA
+"14214","2-(4-((4-Methoxybenzoyl)amino)-2-oxo-1(2H)-pyrimidinyl)ethyl 4-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-((4-Methoxybenzoyl)amino)-2-oxo-1(2H)-pyrimidinyl)ethyl 4-methoxybenzoate",NA,"COC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CCOC(=O)C3=CC=C(C=C3)OC","HCTYRQRRBLEZGL-UHFFFAOYSA-N",367653,NA,"PDBC14214","637530","Present",NA,NA
+"14215","2-(4-((Oxiran-2-yl)methoxy)styryl)-4,5-dihydrooxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-((oxiran-2-yl)methoxy)styryl)-4,5-dihydrooxazole",NA,"C1C(O1)COC2=CC=C(C=C2)C=CC3=NCOC3","LDHDMCZFOAJJED-DAFODLJHSA-N",24206038,NA,"PDBC14215","737757","Present",NA,NA
+"14216","2-(4-((Tert-Butyl(dimethyl)silyl)oxy)butyl)-4-(1,3,4,5-cyclohexatetraen-1-ylsulfonyl)-5-(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(Benzenesulfonyl)-4-cyclohexa-1,3,4,5-tetraen-1-ylsulfonyl-7-oxa-1-azabicyclo[2.2.1]heptan-2-yl]butoxy-tert-butyl-dimethylsilane",NA,"CC(C)(C)[Si](C)(C)OCCCCC1CC2(C(CN1O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=C=C=C4","XZHHZKLYFMZKBE-UHFFFAOYSA-N",373325,NA,"PDBC14216","649469","Present",NA,NA
+"14217","2-(4-(1,3-Benzodithiol-2-ylidene)-2,5-cyclohexadien-1-ylidene)-1,3-benzodithiole 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(1,3-Benzodithiol-2-ylidene)-2,5-cyclohexadien-1-ylidene)-1,3-benzodithiole 1-oxide",NA,"C1=CC=C2C(=C1)SC(=C3C=CC(=C4SC5=CC=CC=C5S4=O)C=C3)S2","ADPFMKNCLZCAMG-UHFFFAOYSA-N",363740,NA,"PDBC14217","628931","Present",NA,NA
+"14218","2-(4-(2,2-Dicarboxyethyl)-2,5-dimethoxybenzyl)malonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(2,2-Dicarboxyethyl)-2,5-dimethoxybenzyl)malonic acid",NA,"COC1=CC(=C(C=C1CC(C(=O)O)C(=O)O)OC)CC(C(=O)O)C(=O)O","GJQVTLPKRZNQOY-UHFFFAOYSA-N",361842,NA,"PDBC14218","625158","Present",NA,NA
+"14219","2-(4-(2-(1-Adamantyl)hexahydro-3H-pyrrolo[1,2-c]imidazol-3-ylidene)-2,5-cyclohexadien-1-ylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[2-(1-Adamantyl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-ylidene]cyclohexa-2,5-dien-1-ylidene]propanedinitrile",NA,"C1CC2CN(C(=C3C=CC(=C(C#N)C#N)C=C3)N2C1)C45CC6CC(C4)CC(C6)C5","PGZLWTUVUSVNGX-UHFFFAOYSA-N",363312,NA,"PDBC14219","628131","Present",NA,NA
+"14220","2-(4-(2-Bromo-2-phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(2-Bromo-2-phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran",NA,"C1CCOC(C1)OC2=CC=C(C=C2)C(=C(C3=CC=CC=C3)Br)C4=CC=C(C=C4)OC5CCCCO5","OUUBBDAEXJFBLZ-UHFFFAOYSA-N",384598,NA,"PDBC14220","674610","Present",NA,NA
+"14221","2-(4-(2-Phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(2-Phenyl-1-(4-(tetrahydro-2H-pyran-2-yloxy)phenyl)vinyl)phenoxy)tetrahydro-2H-pyran",NA,"C1CCOC(C1)OC2=CC=C(C=C2)C(=CC3=CC=CC=C3)C4=CC=C(C=C4)OC5CCCCO5","CXDXOOCWFYIPBJ-UHFFFAOYSA-N",384599,NA,"PDBC14221","674611","Present",NA,NA
+"14222","2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)-2-methylpropanamide",NA,"CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC=C(C=C2)C=CC(=O)C3=CC=C(C=C3)Cl","KAGCQRGLNSLRDP-OVCLIPMQSA-N",5466906,NA,"PDBC14222","645394","Present",NA,NA
+"14223","2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(3-(4-Chlorophenyl)-3-oxo-1-propenyl)phenoxy)-N-(2,6-dichlorophenyl)acetamide",NA,"C1=CC(=C(C(=C1)Cl)NC(=O)COC2=CC=C(C=C2)C=CC(=O)C3=CC=C(C=C3)Cl)Cl","ZVIFVIRKAXWYIL-AWNIVKPZSA-N",5466907,NA,"PDBC14223","645397","Present",NA,NA
+"14224","2-(4-(3-Pyridinyl)-1,3-dioxolan-4-yl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Pyridin-3-yl-1,3-dioxolan-4-yl)-1H-indole",NA,"C1C(OCO1)(C2=CN=CC=C2)C3=CC4=CC=CC=C4N3","XPSQSVZZCLFANE-UHFFFAOYSA-N",392295,NA,"PDBC14224","692428","Present",NA,NA
+"14225","2-(4-(4-(1-(4-(4-((1-Cyanoethyl)amino)phenoxy)phenyl)-1-methylethyl)phenoxy)anilino)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(4-(1-(4-(4-((1-Cyanoethyl)amino)phenoxy)phenyl)-1-methylethyl)phenoxy)anilino)propanenitrile",NA,"CC(C#N)NC1=CC=C(C=C1)OC2=CC=C(C=C2)C(C)(C)C3=CC=C(C=C3)OC4=CC=C(C=C4)NC(C)C#N","JPFWAXUOBJIHLX-UHFFFAOYSA-N",387698,NA,"PDBC14225","681727","Present",NA,NA
+"14226","2-(4-(4-Aminophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(4-Aminophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl)phenol",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)N)C4=CC=CC=C4O","ARBIJFULXIRXDL-UHFFFAOYSA-N",364777,NA,"PDBC14226","631536","Present",NA,NA
+"14227","2-(4-(5-Methyl-1,4-oxadiazol-2-yl)phenyl)benzo[d]oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2 - (4-(5-Methyl-1,3,4-oxadiazol-2-yl)phenyl)benzo[d]oxa...",NA,"CC1=NN=C(O1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4O3","FPOPQLWJEWMFEO-UHFFFAOYSA-N",24203998,NA,"PDBC14227","730319","Present",NA,NA
+"14228","2-(4-(Acetylamino)anilino)-N-(6-((4-(acetylamino)anilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Acetamidoanilino)-N-[6-[(4-acetamidophenyl)sulfamoyl]-4-oxo-quinazolin-3-yl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)NC(=O)C","DLEVJWPCUKRUFF-UHFFFAOYSA-N",390412,NA,"PDBC14228","687766","Present",NA,NA
+"14229","2-(4-(Acetylamino)phenyl)benzo[g]quinoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Acetylamino)phenyl)benzo[g]quinoline-4-carboxylic acid",NA,"CC(=O)NC1=CC=C(C=C1)C2=NC3=CC4=CC=CC=C4C=C3C(=C2)C(=O)O","OJVOTJROKBYRMX-UHFFFAOYSA-N",282670,NA,"PDBC14229","136472","Present",NA,NA
+"14230","2-(4-(Benzyloxy)-3-bromophenyl)-1,3-dioxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Benzyloxy)-3-bromophenyl)-1,3-dioxane",NA,"C1COC(OC1)C2=CC(=C(C=C2)OCC3=CC=CC=C3)Br","GTCGZLRKELOVDH-UHFFFAOYSA-N",370742,NA,"PDBC14230","644265","Present",NA,NA
+"14231","2-(4-(Benzyloxy)benzyl)-1,3-dithiane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Benzyloxy)benzyl)-1,3-dithiane",NA,"C1CSC(SC1)CC2=CC=C(C=C2)OCC3=CC=CC=C3","PQENHLGBQQLYJZ-UHFFFAOYSA-N",382193,NA,"PDBC14231","669652","Present",NA,NA
+"14232","2-(4-(Cyclohexylidene(4-(2-(diethylamino)ethoxy)phenyl)methyl)phenoxy)-N,N-diethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Cyclohexylidene(4-(2-(diethylamino)ethoxy)phenyl)methyl)phenoxy)-N,N-diethylethanamine",NA,"CCN(CC)CCOC1=CC=C(C=C1)C(=C2CCCCC2)C3=CC=C(C=C3)OCCN(CC)CC","IHFCCFRNLYQXMV-UHFFFAOYSA-N",369395,NA,"PDBC14232","641160","Present",NA,NA
+"14233","2-(4-(Cyclohexylmethoxy)phenoxy)-N,N-bis(2-hydroxyethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Cyclohexylmethoxy)phenoxy)-N,N-bis(2-hydroxyethyl)propanamide",NA,"CC(C(=O)N(CCO)CCO)OC1=CC=C(C=C1)OCC2CCCCC2","LXPPIMNNFIXCCV-UHFFFAOYSA-N",375842,NA,"PDBC14233","656095","Present",NA,NA
+"14234","2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-furylmethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-furylmethyl)propanamide",NA,"CC(C(=O)NCC1=CC=CO1)OC2=CC=C(C=C2)OCC3CCCCC3","MJENVWGJGBTLEC-UHFFFAOYSA-N",375845,NA,"PDBC14234","656098","Present",NA,NA
+"14235","2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-hydroxyethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-hydroxyethyl)propanamide",NA,"CC(C(=O)NCCO)OC1=CC=C(C=C1)OCC2CCCCC2","VIVQJKYJHQTTAY-UHFFFAOYSA-N",375841,NA,"PDBC14235","656094","Present",NA,NA
+"14236","2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-hydroxypropyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Cyclohexylmethoxy)phenoxy)-N-(2-hydroxypropyl)propanamide",NA,"CC(CNC(=O)C(C)OC1=CC=C(C=C1)OCC2CCCCC2)O","PQTYNEFPFITOLP-UHFFFAOYSA-N",375843,NA,"PDBC14236","656096","Present",NA,NA
+"14237","2-(4-(Cyclohexylmethoxy)phenoxy)-N-(4-methoxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Cyclohexylmethoxy)phenoxy)-N-(4-methoxyphenyl)propanamide",NA,"CC(C(=O)NC1=CC=C(C=C1)OC)OC2=CC=C(C=C2)OCC3CCCCC3","ZRMJHUIASGVNSY-UHFFFAOYSA-N",375844,NA,"PDBC14237","656097","Present",NA,NA
+"14238","2-(4-(Cyclohexylmethoxy)phenoxy)-N-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(Cyclohexylmethoxy)phenoxy]-N-methyl-propanamide",NA,"CC(C(=O)NC)OC1=CC=C(C=C1)OCC2CCCCC2","FLAFEHWTZUIJKD-UHFFFAOYSA-N",375840,NA,"PDBC14238","656093","Present",NA,NA
+"14239","2-(4-(Cyclohexylmethoxy)phenoxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Cyclohexylmethoxy)phenoxy)propanamide",NA,"CC(C(=O)N)OC1=CC=C(C=C1)OCC2CCCCC2","CQCCYUJJSKKSES-UHFFFAOYSA-N",375839,NA,"PDBC14239","656092","Present",NA,NA
+"14240","2-(4-(Cyclohexylmethoxy)phenoxy)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Cyclohexylmethoxy)phenoxy)propanoic acid",NA,"CC(C(=O)O)OC1=CC=C(C=C1)OCC2CCCCC2","MVEXRUBPJNVSKJ-UHFFFAOYSA-N",375838,NA,"PDBC14240","656091","Present",NA,NA
+"14241","2-(4-(Diethylamino)-2-hydroxybenzoyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"X4K32L28QB",NA,"CCN(CC)C1=CC(=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O)O","FQNKTJPBXAZUGC-UHFFFAOYSA-N",79878,NA,"PDBC14241","625797","Present",NA,NA
+"14242","2-(4-(Ethoxycarbonyl)-4-methyl-3-oxocyclohexyl)malonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Ethoxycarbonyl)-4-methyl-3-oxocyclohexyl)malonic acid",NA,"CCOC(=O)C1(CCC(CC1=O)C(C(=O)O)C(=O)O)C","JTTWLPOOGLEEKF-UHFFFAOYSA-N",363780,NA,"PDBC14242","628993","Present",NA,NA
+"14243","2-(4-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Hydroxy(oxido)amino)anilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC=C(C=C4)[N+](=O)[O-]","JHVVRIIJOGGHPS-UHFFFAOYSA-N",376435,NA,"PDBC14243","657349","Present",NA,NA
+"14244","2-(4-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(Hydroxy(oxido)amino)phenyl)-4-phenyl-2,3-dihydro-1...",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]","HCOVSUWQMKZWAW-UHFFFAOYSA-N",321195,NA,"PDBC14244","270738","Present",NA,NA
+"14245","2-(4-(Hydroxy(oxido)amino)phenyl)-7,8-dimethyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethyl-12-(4-nitrophenyl)-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)SCC(=N3)C4=CC=C(C=C4)[N+](=O)[O-])C","DHBGRDAGJUHNJJ-UHFFFAOYSA-N",495990,NA,"PDBC14245","675765","Present",NA,NA
+"14246","2-(4-Acetamido-3,5-dimethylphenoxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(Acetylamino)-3,5-dimethylphenoxy]acetic acid",NA,"CC1=CC(=CC(=C1NC(=O)C)C)OCC(=O)O","MQFVHAVMJZSALX-UHFFFAOYSA-N",236027,NA,"PDBC14246","38042","Present",NA,NA
+"14247","2-(4-Acetylamino-phenylsulfanyl)-5-nitro-furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Acetylamino-phenylsulfanyl)-5-nitro-furan",NA,"CC(=O)NC1=CC=C(C=C1)SC2=CC=C(O2)[N+](=O)[O-]","NPAJZEQRHDGSIE-UHFFFAOYSA-N",234636,NA,"PDBC14247","34864","Present",NA,NA
+"14248","2-(4-Amino-3-(phenylacetylenyl)phenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-amino-3-(phenylacetylenyl)phenyl)benzothiazole",NA,"C1=CC=C(C=C1)C#CC2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)N","AGZYNVXYSMQGFD-UHFFFAOYSA-N",404146,NA,"PDBC14248","720285","Present",NA,NA
+"14249","2-(4-Amino-3-(trimethylsilylaceylenyl)phenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Amino-3-(trimethylsilylaceylenyl)phenyl)benzothiazole",NA,"C[Si](C)(C)C#CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N","HEWYAYJAQIXRPZ-UHFFFAOYSA-N",404147,NA,"PDBC14249","720286","Present",NA,NA
+"14250","2-(4-Amino-3-methylphenyl)-4-hydroxybenzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-amino-3-methylphenyl)-4-hydroxybenzothiazole",NA,"CC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3S2)O)N","ZTJIOWXBOFUDQH-UHFFFAOYSA-N",397015,NA,"PDBC14250","704277","Present",NA,NA
+"14251","2-(4-Amino-3-methylphenyl)-6-hydroxybenzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzothiazolol, 2-(4-amino-3-methylphenyl)-",NA,"CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)O)N","ZVMPPOTVHZXILL-UHFFFAOYSA-N",396812,NA,"PDBC14251","703785","Present",NA,NA
+"14252","2-(4-Amino-3-methylphenyl)-7-hydroxybenzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-amino-3-methylphenyl)-7-hydroxybenzothiazole",NA,"CC1=C(C=CC(=C1)C2=NC3=C(S2)C(=CC=C3)O)N","OFRNVFFXBRJWDZ-UHFFFAOYSA-N",397016,NA,"PDBC14252","704278","Present",NA,NA
+"14253","2-(4-Amino-5-(8-(4-amino-5-(2-hydroxy-4-methylphenyl)-4H-1,2,4-triazol-3-yl)octyl)-4H-1,2,4-triazol-3-yl)-5-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Amino-5-[8-[4-amino-5-(2-hydroxy-4-methylphenyl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]-5-methylphenol",NA,"CC1=CC(=C(C=C1)C2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)C4=C(C=C(C=C4)C)O)O","ILKWWSXKTOMSJF-UHFFFAOYSA-N",382824,NA,"PDBC14253","670560","Present",NA,NA
+"14254","2-(4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl)-N-hydroxyethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-N'-hydroxyethanimidamide",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CC(=NO)N","CFKIFNLYAZGLLJ-UHFFFAOYSA-N",9572131,NA,"PDBC14254","704348","Present",NA,NA
+"14255","2-(4-Amino-6-chloroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1-pentofuranosyl-1h-imidazo[4,5-c]pyridin-4-amine",NA,"C1=C2C(=C(N=C1Cl)N)N=CN2C3C(C(C(O3)CO)O)O","LIDWXUGNGGWNEU-UHFFFAOYSA-N",292762,NA,"PDBC14255","158900","Present",NA,NA
+"14256","2-(4-Amino-6-hydroxy-2-mercapto-5-pyrimidinyl)-4-methylphenylformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Amino-6-hydroxy-2-mercapto-5-pyrimidinyl)-4-methylphenylformamide",NA,"CC1=CC(=C(C=C1)NC=O)C2=C(NC(=S)NC2=O)N","SUXVPTOYHLCUQF-UHFFFAOYSA-N",3005187,NA,"PDBC14256","680807","Present",NA,NA
+"14257","2-(4-Amino-6-phenylpiperazin-1-yl-1,5-triazin-2-yl)-2-{[4-(dimethylamino)phenyl]imino}-acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-amino-6-phenylpiperazin-1-yl-1,3,5-triazin-2-yl)-2-...",NA,"CN(C)C1=CC=C(C=C1)N=C(C#N)C2=NC(=NC(=N2)N3CCN(CC3)C4=CC=CC=C4)N","IVJUYPMFEPJWJQ-UHFFFAOYSA-N",11676277,NA,"PDBC14257","729113","Present",NA,NA
+"14258","2-(4-Aminobenzamido)-5-(6-methylbenzo[d]thiazol-2-yl)benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonic acid, 2-[(4-aminobenzoyl)amino]-5-(6-methyl-2-benzothiazolyl)-",NA,"CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)N)S(=O)(=O)O","OINIYAOVPXPWNV-UHFFFAOYSA-N",231116,NA,"PDBC14258","26699","Present",NA,NA
+"14259","2-(4-Aminobutyl)-1,4-dihydroxyanthracene-9,10-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Aminobutyl)-1,4-dihydroxyanthracene-9,10-dione;hydrochloride",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCN)O.Cl","ZVKHUYXHSZSTMN-UHFFFAOYSA-N",439019,NA,"PDBC14259","699139","Present",NA,NA
+"14260","2-(4-Aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Aminoimidazo[4,5-c]pyridin-1-yl)-5-(2-methylpropylsulfanylmethyl)oxolane-3,4-diol",NA,"CC(C)CSCC1C(C(C(O1)N2C=NC3=C2C=CN=C3N)O)O","XDBKDRRIZBSEDB-UHFFFAOYSA-N",329583,NA,"PDBC14260","313172","Present",NA,NA
+"14261","2-(4-Aminophenyl)-6-methoxybenzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-MEO-BTA-0",NA,"COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N","KLRFVKNLVPQVIN-UHFFFAOYSA-N",391870,NA,"PDBC14261","691533","Present",NA,NA
+"14262","2-(4-Aminopiperidin-1-yl)-4-(3-(trifluoromethyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-aminopiperidin-1-yl)-4-(3-(trifluoromethyl)phenylam...",NA,"C1CN(CCC1N)C2=NC3=C(C(=O)NC=C3)C(=N2)NC4=CC=CC(=C4)C(F)(F)F.Cl","GEOYUPAKWBFMCY-UHFFFAOYSA-N",52933852,NA,"PDBC14262","751831","Present",NA,NA
+"14263","2-(4-Benzoylphenyl)-N-(3-(4-methyl-1-piperazinyl)-3-oxopropyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Benzoylphenyl)-N-(3-(4-methyl-1-piperazinyl)-3-oxopropyl)acetamide",NA,"CN1CCN(CC1)C(=O)CCNC(=O)CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3","JJMWAIJCWSCPGM-UHFFFAOYSA-N",385937,NA,"PDBC14263","677400","Present",NA,NA
+"14264","2-(4-Bromo-3-(trifluoromethyl)anilino)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromo-3-(trifluoromethyl)anilino)-9H-purin-6-ol",NA,"C1=CC(=C(C=C1NC2=NC3=C(C(=O)N2)NC=N3)C(F)(F)F)Br","ROEZOUAAJLSGAV-UHFFFAOYSA-N",135440030,NA,"PDBC14264","685825","Present",NA,NA
+"14265","2-(4-Bromo-benzenesulfonylimino)-imidazolidine-1-car bodithioic acid 3-thioxo-5,1-c][1,2, 4]thiadiazol-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromo-benzenesulfonylimino)-imidazolidine-1-car bod...",NA,"C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)Br)C(=S)SN3CCN4C3=NSC4=S","OPHLBAWCOGSTNY-UHFFFAOYSA-N",24205509,NA,"PDBC14265","736064","Present",NA,NA
+"14266","2-(4-Bromo-phenyl)-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Br)NC4C(C(C(C(O4)CO)O)O)O","WJAWRIRCIFKHEV-UHFFFAOYSA-N",363486,NA,"PDBC14266","628410","Present",NA,NA
+"14267","2-(4-Bromobenzoyl)-4-(2-(4-bromophenyl)-2-oxoethyl)-3-hydroxy-2-cyclopenten-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromobenzoyl)-4-(2-(4-bromophenyl)-2-oxoethyl)-3-hydroxy-2-cyclopenten-1-one",NA,"C1C(C(=O)C(=C(C2=CC=C(C=C2)Br)O)C1=O)CC(=O)C3=CC=C(C=C3)Br","SINVXUZGFRFOEI-VHEBQXMUSA-N",5465989,NA,"PDBC14267","670866","Present",NA,NA
+"14268","2-(4-Bromobenzoyl)-N-(4-bromophenyl)-5-methyl-3-isoxazolidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromobenzoyl)-N-(4-bromophenyl)-5-methyl-3-isoxazolidinamine",NA,"CC1CC(N(O1)C(=O)C2=CC=C(C=C2)Br)NC3=CC=C(C=C3)Br","MXMGZFYTHNNJMN-UHFFFAOYSA-N",377010,NA,"PDBC14268","658228","Present",NA,NA
+"14269","2-(4-Bromobenzylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YUBREKBGODHJOS-PKNBQFBNSA-N",NA,"C1CCC(=O)C(=CC2=CC=C(C=C2)Br)C1","YUBREKBGODHJOS-PKNBQFBNSA-N",5374974,NA,"PDBC14269","670683","Present",NA,NA
+"14270","2-(4-Bromophenyl)-1,2,5,6,7,8-hexahydroquinoline-3,3,4,4-tetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline-3,3,4,4-tetracarbonitrile, 2-(4-bromophenyl)-1...",NA,"C1CCC2=C(C1)C(C(C(N2)C3=CC=C(C=C3)Br)(C#N)C#N)(C#N)C#N","WXYMOTVLPYPFNL-UHFFFAOYSA-N",395673,NA,"PDBC14270","700455","Present",NA,NA
+"14271","2-(4-Bromophenyl)-1,3-dichloro-5,6-dimethoxy-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-1,3-dichloro-5,6-dimethoxy-1H-indene",NA,"COC1=C(C=C2C(=C1)C(C(=C2Cl)C3=CC=C(C=C3)Br)Cl)OC","ZQEDTHGOYDNZKQ-UHFFFAOYSA-N",360785,NA,"PDBC14271","623166","Present",NA,NA
+"14272","2-(4-Bromophenyl)-1-(3,4-dimethoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-1-(3,4-dimethoxyphenyl)ethanone",NA,"COC1=C(C=C(C=C1)C(=O)CC2=CC=C(C=C2)Br)OC","MXGKGYJSNIOYPZ-UHFFFAOYSA-N",358217,NA,"PDBC14272","618118","Present",NA,NA
+"14273","2-(4-Bromophenyl)-2-vinyl-1,3-dioxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-2-vinyl-1,3-dioxane",NA,"C=CC1(OCCCO1)C2=CC=C(C=C2)Br","VDAPBWOWKPTAGF-UHFFFAOYSA-N",383346,NA,"PDBC14273","671460","Present",NA,NA
+"14274","2-(4-Bromophenyl)-3-(phenyldiazenyl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-[2-(4-bromophenyl)-1H-indol-3-yl]-phenyl-diazene",NA,"C1=CC=C(C=C1)N=NC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)Br","MJVPNGWTNWHGLL-UHFFFAOYSA-N",389558,NA,"PDBC14274","685863","Present",NA,NA
+"14275","2-(4-Bromophenyl)-3H-indol-3-one 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-bromophenyl)-1-oxido-indol-1-ium-3-one",NA,"C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Br","BHXMNNKOGJBVFU-UHFFFAOYSA-N",362366,NA,"PDBC14275","626112","Present",NA,NA
+"14276","2-(4-Bromophenyl)-3H-pyrrolo[2,3-c]isoquinolin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-3H-pyrrolo[2,3-c]isoquinolin-5-ol",NA,"C1=CC=C2C(=C1)C3=C(NC(=C3)C4=CC=C(C=C4)Br)NC2=O","CONSGDZGSJEQOT-UHFFFAOYSA-N",386858,NA,"PDBC14276","679600","Present",NA,NA
+"14277","2-(4-Bromophenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane",NA,"C1C(N2CC(C1(O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Br","MKFFHYSGFQRGCG-UHFFFAOYSA-N",361146,NA,"PDBC14277","623978","Present",NA,NA
+"14278","2-(4-Bromophenyl)-4-(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-4-(1-naphthyl)-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC=CC4=CC=CC=C43)C5=CC=C(C=C5)Br","BYPDBBMFPDCYQN-UHFFFAOYSA-N",369430,NA,"PDBC14278","641200","Present",NA,NA
+"14279","2-(4-Bromophenyl)-4-(1-naphthyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-4-(1-naphthyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione",NA,"C1C(NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N=C1C5=CC=C(C=C5)Br)C6=CC=CC7=CC=CC=C76","ZHDOJHOAODTAQY-UHFFFAOYSA-N",367239,NA,"PDBC14279","636782","Present",NA,NA
+"14280","2-(4-Bromophenyl)-4-(2,5-dihydroxyphenacyl)pyrazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-4-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]pyrazolidine-3,5-dione",NA,"C1=CC(=CC=C1N2C(=O)C(C(=O)N2)CC(=O)C3=C(C=CC(=C3)O)O)Br","OMIOSNHPSQSORP-UHFFFAOYSA-N",24204132,NA,"PDBC14280","730709","Present",NA,NA
+"14281","2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,"CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)Br","BWZVJLYXJGXATI-UHFFFAOYSA-N",393160,NA,"PDBC14281","694614","Present",NA,NA
+"14282","2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,"CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)Br","OGKUJFVMWFFLCD-UHFFFAOYSA-N",393171,NA,"PDBC14282","694625","Present",NA,NA
+"14283","2-(4-Bromophenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one",NA,"C1=CC(=CC=C1N2C(=O)C3=C(S2(=O)=O)N=CC(=C3)[N+](=O)[O-])Br","IZANEIVAZQJQRA-UHFFFAOYSA-N",393173,NA,"PDBC14283","694627","Present",NA,NA
+"14284","2-(4-Bromophenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-bromophenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3(2H...",NA,"C1=CC(=CC=C1N2C(=O)C3=C(S2)N=CC(=C3)[N+](=O)[O-])Br","APCZVVNESMLVLD-UHFFFAOYSA-N",393162,NA,"PDBC14284","694616","Present",NA,NA
+"14285","2-(4-Bromophenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,"C1=CC=C(C=C1)C2=CC3=C(N=C2)SN(C3=O)C4=CC=C(C=C4)Br","MBRXMTXABOLTKO-UHFFFAOYSA-N",395667,NA,"PDBC14285","700449","Present",NA,NA
+"14286","2-(4-Bromophenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,"C1=CC=C(C=C1)C2=CC3=C(N=C2)S(=O)(=O)N(C3=O)C4=CC=C(C=C4)Br","ARNJIBDFOXQEFF-UHFFFAOYSA-N",393172,NA,"PDBC14286","694626","Present",NA,NA
+"14287","2-(4-Bromophenyl)-5-tert-butyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Bromophenyl)-9-tert-butyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)Br","RPBYSOIFBNQFLB-UHFFFAOYSA-N",373637,NA,"PDBC14287","650357","Present",NA,NA
+"14288","2-(4-Bromophenyl)-6,7-dimethyl-8-phenyl-1,3,6,2-dioxazaborocan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-6,7-dimethyl-8-phenyl-1,3,6,2-dioxazaborocan-4-one",NA,NA,NA,NA,NA,"PDBC14288","639230","Present",NA,NA
+"14289","2-(4-Bromophenyl)-6-(3-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-3-(3-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide",NA,"C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4.[Br-]","HZOCQABZUDKFDA-UHFFFAOYSA-M",376153,NA,"PDBC14289","656670","Present",NA,NA
+"14290","2-(4-Bromophenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Bromophenyl)-3-(4-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide",NA,"C1N(N=C(N=[N+]1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4.[Br-]","NYRIOIXABPNJAR-UHFFFAOYSA-M",376157,NA,"PDBC14290","656672","Present",NA,NA
+"14291","2-(4-Bromophenyl)-6-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-bromophenyl)-6-chloro-~{N}-[4-(4-chlorophenyl)thiaz...",NA,"C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Br)Cl","WTZWLKIBMZDAHQ-UHFFFAOYSA-N",155813548,NA,"PDBC14291","797694","Present",NA,NA
+"14292","2-(4-Bromophenyl)-7,8-dihydroxychromene-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-bromophenyl)-7,8-dihydroxy-4H-chromene-4-thione",NA,"C1=CC(=CC=C1C2=CC(=S)C3=C(O2)C(=C(C=C3)O)O)Br","FWOXOZMWVNBQGF-UHFFFAOYSA-N",137303064,NA,"PDBC14292","783091","Present",NA,NA
+"14293","2-(4-Bromophenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-9,9a-dihydropyrrolo[3,4-b][1,4]benzothiazine-1,3(2H,3aH)-dione",NA,"C1=CC=C2C(=C1)NC3C(S2)C(=O)N(C3=O)C4=CC=C(C=C4)Br","MPNQWYALZXAZIW-UHFFFAOYSA-N",367018,NA,"PDBC14293","636345","Present",NA,NA
+"14294","2-(4-Bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-8-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)-N-[2-(dimethylamino)ethyl]quinoline-8-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=C(C=C3)Br.Cl","IDNLGYMDPPWBPS-UHFFFAOYSA-N",358078,NA,"PDBC14294","617932","Present",NA,NA
+"14295","2-(4-Bromophenyl)imidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-28257",NA,"C1=CC(=CC=C1C2=CN3C=CN=CC3=N2)Br","SRVMTZOOFHVUJN-UHFFFAOYSA-N",398282,NA,"PDBC14295","707996","Present",NA,NA
+"14296","2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one",NA,"C1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)Br","CKQMTCNNSSCNHW-UHFFFAOYSA-N",393161,NA,"PDBC14296","694615","Present",NA,NA
+"14297","2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Bromophenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,"C1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)Br","XECDXJIOEYOFGS-UHFFFAOYSA-N",391364,NA,"PDBC14297","690394","Present",NA,NA
+"14298","2-(4-Butoxyphenyl)sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Butoxyphenyl)sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"CCCCOC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NO","FCBLGRHCNGVURJ-UHFFFAOYSA-N",9572202,NA,"PDBC14298","707045","Present",NA,NA
+"14299","2-(4-Butoxyphenyl)sulfonyl-1-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Butoxyphenyl)sulfonyl-1-(4-chlorophenyl)guanidine",NA,"CCCCOC1=CC=C(C=C1)S(=O)(=O)N=C(N)NC2=CC=C(C=C2)Cl","NBGIRHIPGDMFPM-UHFFFAOYSA-N",9572214,NA,"PDBC14299","707405","Present",NA,NA
+"14300","2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,"CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)C","AJXDIOWWYDSUKX-UHFFFAOYSA-N",394799,NA,"PDBC14300","698601","Present",NA,NA
+"14301","2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Butylphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,"CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC(=C3)C","JKYCDXIAXAPWNK-UHFFFAOYSA-N",394803,NA,"PDBC14301","698605","Present",NA,NA
+"14302","2-(4-Butylphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Butylphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one",NA,"CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC(=C3)[N+](=O)[O-]","AIIHCWUZVGZGLE-UHFFFAOYSA-N",393177,NA,"PDBC14302","694631","Present",NA,NA
+"14303","2-(4-Butylphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Butylphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one",NA,"CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)[N+](=O)[O-]","PJRJESLYPUPUDM-UHFFFAOYSA-N",393170,NA,"PDBC14303","694624","Present",NA,NA
+"14304","2-(4-Butylphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Butylphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,"CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)C4=CC=CC=C4","CPXKVJSIEUVWNW-UHFFFAOYSA-N",395862,NA,"PDBC14304","700864","Present",NA,NA
+"14305","2-(4-Butylphenyl)guanidine;nitric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685795",NA,"CCCCC1=CC=C(C=C1)N=C(N)N.[N+](=O)(O)[O-]","QPDINXYFONDYPT-UHFFFAOYSA-N",24202551,NA,"PDBC14305","685795","Present",NA,NA
+"14306","2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one",NA,"CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3","XNGPPEMGIZDPGJ-UHFFFAOYSA-N",393169,NA,"PDBC14306","694623","Present",NA,NA
+"14307","2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Butylphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,"CCCCC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC=C3","SIEMFUFAXWYSGT-UHFFFAOYSA-N",395672,NA,"PDBC14307","700454","Present",NA,NA
+"14308","2-(4-Carboxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Carboxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)C(=O)O","IADLBUBDKANABH-UHFFFAOYSA-N",364111,NA,"PDBC14308","629780","Present",NA,NA
+"14309","2-(4-Chloro-1(2H)-phthalazinylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-1(2H)-phthalazinylidene)malononitrile",NA,"C1=CC=C2C(=C1)C(=C(C#N)C#N)NN=C2Cl","ZDUKKPMFWHQLLA-UHFFFAOYSA-N",361639,NA,"PDBC14309","624858","Present",NA,NA
+"14310","2-(4-Chloro-2-carbamoylmethylthio-5-methylbenzenesulfony...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-carbamoylmethylthio-5-methylbenzenesulfony...",NA,"CC1=CC(=C(C=C1Cl)SCC(=O)N)S(=O)(=O)NC(=NCC#C)NN=CC2=CC=C(O2)[N+](=O)[O-]","KSAOIUFPGWFVRR-LSFURLLWSA-N",23583910,NA,"PDBC14310","728518","Present",NA,NA
+"14311","2-(4-Chloro-2-methyl-anilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphth[2,3-d]thiazole-4,9-dione, 2-[(2-chloro-4- methyl)...",NA,"CC1=C(C=CC(=C1)Cl)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","NULIEULDUCQMRO-UHFFFAOYSA-N",361027,NA,"PDBC14311","623761","Present",NA,NA
+"14312","2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC","SMUADROZVBFSJY-UHFFFAOYSA-N",44456614,NA,"PDBC14312","740049","Present",NA,NA
+"14313","2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F","POUGLPNJDDXLLH-UHFFFAOYSA-N",24205879,NA,"PDBC14313","737061","Present",NA,NA
+"14314","2-(4-Chloro-2-methylanilino)-N-(3-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-N-(3-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)OC","DNGUUKBDSOKCAV-UHFFFAOYSA-N",24205397,NA,"PDBC14314","735365","Present",NA,NA
+"14315","2-(4-Chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=C(C=CC=C3Cl)Cl","OUWGQIQTCUKTEV-ORBVJSQLSA-N",45028835,NA,"PDBC14315","744613","Present",NA,NA
+"14316","2-(4-Chloro-2-methylanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=CC=C3Cl","OULWNDFPGAKKHX-LUOAPIJWSA-N",46227884,NA,"PDBC14316","747198","Present",NA,NA
+"14317","2-(4-Chloro-2-methylanilino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-N-[(E)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC(=CC=C3)O","LSHSVKJOTAEYAP-KBKYJPHKSA-N",45028831,NA,"PDBC14317","744609","Present",NA,NA
+"14318","2-(4-Chloro-2-methylanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)Cl","AZZJZJJSFIWHTO-LUOAPIJWSA-N",45028834,NA,"PDBC14318","744612","Present",NA,NA
+"14319","2-(4-Chloro-2-methylanilino)-N-[(E)-(4-fluorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-N-[(E)-(4-fluorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)F","RNXFSHINPJUJAN-LUOAPIJWSA-N",45028730,NA,"PDBC14319","743918","Present",NA,NA
+"14320","2-(4-Chloro-2-methylanilino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC(=C(C=C3)O)OC","RYBYWMARVVPATD-LUOAPIJWSA-N",135958444,NA,"PDBC14320","744610","Present",NA,NA
+"14321","2-(4-Chloro-2-methylanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","OJKZCWSHKCENPB-KBKYJPHKSA-N",45028729,NA,"PDBC14321","743917","Present",NA,NA
+"14322","2-(4-Chloro-2-methylanilino)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylanilino)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)N(C)C","ZRIWNMIPAFYDPL-XODNFHPESA-N",45028728,NA,"PDBC14322","743916","Present",NA,NA
+"14323","2-(4-Chloro-2-methylphenoxy)-N-(4,6-diamino-1,3,5-triazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2-methylphenoxy)-N-(4,6-diamino-1,3,5-triazi...",NA,"CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC(=NC(=N2)N)N","XQFUXZQEMYHTBY-UHFFFAOYSA-N",295477,NA,"PDBC14323","164640","Present",NA,NA
+"14324","2-(4-Chloro-2-methylphenoxy)-N-(4-chlorobenzo[d]thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-chloro-2-methylphenoxy)-N-(4-chlorobenzo[d]thiazol-...",NA,"CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC3=C(S2)C=CC=C3Cl","IQXCFHUNGHLZTH-UHFFFAOYSA-N",4266640,NA,"PDBC14324","736563","Present",NA,NA
+"14325","2-(4-Chloro-2H-chromen-3-yl)-1H-imidazole-4,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-2H-chromen-3-yl)-1H-imidazole-4,5-dicarbonitrile",NA,"C1C(=C(C2=CC=CC=C2O1)Cl)C3=NC(=C(N3)C#N)C#N","CWVGNKRXVPDBQT-UHFFFAOYSA-N",379952,NA,"PDBC14325","665144","Present",NA,NA
+"14326","2-(4-Chloro-3-(trifluoromethyl)anilino)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-3-(trifluoromethyl)anilino)-9H-purin-6-ol",NA,"C1=CC(=C(C=C1NC2=NC3=C(C(=O)N2)NC=N3)C(F)(F)F)Cl","XVNBMSSTJYIZHF-UHFFFAOYSA-N",135408827,NA,"PDBC14326","682514","Present",NA,NA
+"14327","2-(4-Chloro-3-methylphenoxy)-3,4-dihydro-2H-pyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-3-methylphenoxy)-3,4-dihydro-2H-pyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide",NA,"CC1=C(C=CC(=C1)OP2(=O)NCC3=C(O2)C=CC=N3)Cl","XRXYVZXVKIISAO-UHFFFAOYSA-N",395846,NA,"PDBC14327","700849","Present",NA,NA
+"14328","2-(4-Chloro-3-methylphenoxy)-3,4-dihydro-2H-pyrido[4,3-e][1,3,2]oxazaphosphinine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-3-methylphenoxy)-3,4-dihydro-2H-pyrido[4,3-e][1,3,2]oxazaphosphinine 2-oxide",NA,"CC1=C(C=CC(=C1)OP2(=O)NCC3=C(O2)C=NC=C3)Cl","VUMIFQBQIVXDEZ-UHFFFAOYSA-N",395843,NA,"PDBC14328","700846","Present",NA,NA
+"14329","2-(4-Chloro-3-methylphenoxy)-N-ethylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-3-methylphenoxy)-N-ethylacetamide",NA,"CCNC(=O)COC1=CC(=C(C=C1)Cl)C","FGMKHPICSRWGCC-UHFFFAOYSA-N",360016,NA,"PDBC14329","621752","Present",NA,NA
+"14330","2-(4-Chloro-6-methyl-2-(methylthio)-5-pyrimidinyl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-6-methyl-2-(methylthio)-5-pyrimidinyl)ethyl acetate",NA,"CC1=C(C(=NC(=N1)SC)Cl)CCOC(=O)C","BHSICYIIYTYAAF-UHFFFAOYSA-N",378327,NA,"PDBC14330","660336","Present",NA,NA
+"14331","2-(4-Chloro-benzenesulfonylamino)-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK899562",NA,"C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)Cl","OWHRRXDJMFQNDI-UHFFFAOYSA-N",362690,NA,"PDBC14331","626929","Present",NA,NA
+"14332","2-(4-Chloro-benzenesulfonylimino)-imidazolidine-1-carbodithi oic acid 3-thioxo-5,1-c][1,2,4] thiadiazol-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-benzenesulfonylimino)-imidazolidine-1-carbod...",NA,"C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)Cl)C(=S)SN3CCN4C3=NSC4=S","KSWCVGJYBQXXTR-UHFFFAOYSA-N",24205066,NA,"PDBC14332","734148","Present",NA,NA
+"14333","2-(4-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-phenyl)-1H-[1,8]naphthyridin-4-one",NA,"C1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)Cl)N=C1","WCUARJVKIMLOAO-UHFFFAOYSA-N",386581,NA,"PDBC14333","679029","Present",NA,NA
+"14334","2-(4-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one",NA,"CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=C(C=C3)Cl)C","HGJHIFICDQOWJV-UHFFFAOYSA-N",5468913,NA,"PDBC14334","679033","Present",NA,NA
+"14335","2-(4-Chloro-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(4-chlorophenyl)-6-methyl-",NA,"CC1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)Cl)N=C1","VDNLPIIEPIALSM-UHFFFAOYSA-N",386583,NA,"PDBC14335","679031","Present",NA,NA
+"14336","2-(4-Chloro-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(4-chlorophenyl)-7-methyl-",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(C=C3)Cl","RIVJLXUGNRBXCS-UHFFFAOYSA-N",5468912,NA,"PDBC14336","679032","Present",NA,NA
+"14337","2-(4-Chloroacetylaminophenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloroacetylaminophenyl)benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CCl","VYBXOEFTXLCKFS-UHFFFAOYSA-N",385071,NA,"PDBC14337","676000","Present",NA,NA
+"14338","2-(4-Chloroanilino)-3,7-dihydropurin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloroanilino)-9H-purin-6-ol",NA,"C1=CC(=CC=C1NC2=NC3=C(C(=O)N2)NC=N3)Cl","AUUBSEVTDIKILH-UHFFFAOYSA-N",135440031,NA,"PDBC14338","685838","Present",NA,NA
+"14339","2-(4-Chloroanilino)-N'-(2,4-dichlorophenyl)sulfonyl nicotino hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-chloroanilino)-N'-(2,4-dichlorophenyl)sulfonyl nico...",NA,"C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C(=O)NNS(=O)(=O)C3=C(C=C(C=C3)Cl)Cl","JIFRAKAHLPMFJX-UHFFFAOYSA-N",24205768,NA,"PDBC14339","736602","Present",NA,NA
+"14340","2-(4-Chloroanilino)-N'-[(4-acetylaminophenyl)sulphonyl]nicotino hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloroanilino)-N'-[(4-acetylaminophenyl)sulphonyl]n...",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N=CC=C2)NC3=CC=C(C=C3)Cl","OTNYYPVKFLDBDD-UHFFFAOYSA-N",16126694,NA,"PDBC14340","737147","Present",NA,NA
+"14341","2-(4-Chloroanilino)-N-(1,4-dihydroxy-5-phthalazinyl)-4-methyl-1,3-thiazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloroanilino)-N-(1,4-dihydroxy-5-phthalazinyl)-4-methyl-1,3-thiazole-5-carboxamide",NA,"CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC4=C3C(=O)NNC4=O","LZDPIGUMKFXQTJ-UHFFFAOYSA-N",367736,NA,"PDBC14341","637675","Present",NA,NA
+"14342","2-(4-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloroanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)CNC4=CC=C(C=C4)Cl","ZOZYNNMWDRRVCG-UHFFFAOYSA-N",376432,NA,"PDBC14342","657346","Present",NA,NA
+"14343","2-(4-Chloroanilino)-N-(6-((4-chloroanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloroanilino)-N-(6-((4-chloroanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)Cl)C(=O)N1NC(=O)CNC4=CC=C(C=C4)Cl","YXAIXYSXEQHINM-UHFFFAOYSA-N",390407,NA,"PDBC14343","687761","Present",NA,NA
+"14344","2-(4-Chlorobenzyl)-3-(4-chloro-5-methyl-2-sulfidophenylsulfo nylamino)-3-(4-dimethylamino-1-pyridinio)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-chlorobenzyl)-3-(4-chloro-5-methyl-2-sulfidophenyls...",NA,"CC1=CC(=C(C=C1Cl)[S-])S(=O)(=O)NC(=C(C#N)C(=O)C2=CC=C(C=C2)Cl)[N+]3=CC=C(C=C3)N(C)C","MHVRSWARXLBCSI-UHFFFAOYSA-N",5472669,NA,"PDBC14344","720635","Present",NA,NA
+"14345","2-(4-Chlorobenzylidene)cycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorobenzylidene)cycloheptanone",NA,"C1CCC(=CC2=CC=C(C=C2)Cl)C(=O)CC1","VDOMQGYNIKEPNX-ZRDIBKRKSA-N",5469547,NA,"PDBC14345","689956","Present",NA,NA
+"14346","2-(4-Chlorobutoxy)tetrahydropyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM41302050",NA,"C1CCOC(C1)OCCCCCl","SZZINZURZKQZLG-UHFFFAOYSA-N",170488,NA,"PDBC14346","617378","Present",NA,NA
+"14347","2-(4-Chlorophenoxy)-1,3,2-oxathiaphospholane 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenoxy)-1,3,2-oxathiaphospholane 2-oxide",NA,"C1CSP(=O)(O1)OC2=CC=C(C=C2)Cl","LVEGMLRDKRUYQR-UHFFFAOYSA-N",394426,NA,"PDBC14347","697878","Present",NA,NA
+"14348","2-(4-Chlorophenoxy)-1-methyl-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenoxy)-1-methyl-imidazole",NA,"CN1C=CN=C1OC2=CC=C(C=C2)Cl","GXJDXJRXOIVZJN-UHFFFAOYSA-N",307940,NA,"PDBC14348","206381","Present",NA,NA
+"14349","2-(4-Chlorophenoxy)-2-methyl-N-phenyl-N-(1-piperidinylcarbonyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenoxy)-2-methyl-N-phenyl-N-(1-piperidinylcarbonyl)propanamide",NA,"CC(C)(C(=O)N(C1=CC=CC=C1)C(=O)N2CCCCC2)OC3=CC=C(C=C3)Cl","GOYALCDANNUROC-UHFFFAOYSA-N",391214,NA,"PDBC14349","690111","Present",NA,NA
+"14350","2-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanone",NA,"COC1=C(C=C(C=C1)C(=O)CC2=CC=C(C=C2)Cl)OC","UPIRYBQSGRRFBP-UHFFFAOYSA-N",358213,NA,"PDBC14350","618114","Present",NA,NA
+"14351","2-(4-Chlorophenyl)-1-hydroxyindole-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-1-hydroxy-1h-indole-3-carbonitrile",NA,"C1=CC=C2C(=C1)C(=C(N2O)C3=CC=C(C=C3)Cl)C#N","NUBJHMUYDQLJDY-UHFFFAOYSA-N",270811,NA,"PDBC14351","113802","Present",NA,NA
+"14352","2-(4-Chlorophenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole",NA,"C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)Cl)C5=CC=CC=C5","YBTBCXZAITUMHA-UHFFFAOYSA-N",390230,NA,"PDBC14352","687522","Present",NA,NA
+"14353","2-(4-Chlorophenyl)-2-(1,3-dihydroxy-7-iminoquinoxalin-2-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-2-(1,3-dihydroxy-7-iminoquinoxalin-2-yl)acetonitrile",NA,"C1=CC(=CC=C1C(C#N)C2=C(N=C3C=CC(=N)C=C3N2O)O)Cl","AAHXPNHMHLTISG-UHFFFAOYSA-N",3718174,NA,"PDBC14353","621167","Present",NA,NA
+"14354","2-(4-Chlorophenyl)-2-(4-hydroxyiminocyclohexa-2,5-dien-1-ylidene)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Cyclohexadiene-.delta.1,.alpha.-acetonitrile, .alpha...",NA,"C1=CC(=NO)C=CC1=C(C#N)C2=CC=C(C=C2)Cl","CPQMRDWKXUVWAP-UHFFFAOYSA-N",346832,NA,"PDBC14354","405158","Present",NA,NA
+"14355","2-(4-Chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-methyl]-2-pyridyl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-2-[6-[(4-chlorophenyl)-cyano-methyl]-2-pyridyl]acetonitrile",NA,"C1=CC(=NC(=C1)C(C#N)C2=CC=C(C=C2)Cl)C(C#N)C3=CC=C(C=C3)Cl","HDHWCVHVEDSRTI-UHFFFAOYSA-N",366011,NA,"PDBC14355","634184","Present",NA,NA
+"14356","2-(4-Chlorophenyl)-2-oxoethyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC100737",NA,"C1=CC(=CC=C1C(=O)CSC#N)Cl","JSIQRJQKMVTGJN-UHFFFAOYSA-N",88013,NA,"PDBC14356","100737","Present",NA,NA
+"14357","2-(4-Chlorophenyl)-3,5-dihydro-2H-1,5-benzothiazepine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-3,5-dihydro-2H-1,5-benzothiazepine-4-thione",NA,"C1C(SC2=CC=CC=C2NC1=S)C3=CC=C(C=C3)Cl","MLOAYIRCJLFUPW-UHFFFAOYSA-N",3005003,NA,"PDBC14357","667462","Present",NA,NA
+"14358","2-(4-Chlorophenyl)-3-(3,4-dimethylphenoxy)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-3-(3,4-dimethylphenoxy)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide",NA,"CC1=C(C=C(C=C1)OP2(=O)N(CC3=C(O2)C=CC4=CC=CC=C34)C5=CC=C(C=C5)Cl)C","IJBYXOQOQJEFNW-UHFFFAOYSA-N",360392,NA,"PDBC14358","622457","Present",NA,NA
+"14359","2-(4-Chlorophenyl)-3-hydroxyquinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-3-hydroxyquinazolin-4(3H)-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=C(C=C3)Cl)O","YWWGILQCNLWFDH-UHFFFAOYSA-N",342897,NA,"PDBC14359","380803","Present",NA,NA
+"14360","2-(4-Chlorophenyl)-4,6-dimethyl(1,3)oxazolo(5,4-d)pyrimidine-5,7(4H,6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-4,6-dimethyl(1,3)oxazolo(5,4-d)pyrimidine-5,7(4H,6H)-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)N=C(O2)C3=CC=C(C=C3)Cl","ZUAIZTFYBJEYHN-UHFFFAOYSA-N",329158,NA,"PDBC14360","310290","Present",NA,NA
+"14361","2-(4-Chlorophenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrr...",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC=C(C=C4)Cl","JYEHBUKQIFSWIM-UHFFFAOYSA-N",53361473,NA,"PDBC14361","749864","Present",NA,NA
+"14362","2-(4-Chlorophenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b...",NA,"C1=CC2=C(NC=C2C3=CSC(=N3)C4=CC=C(C=C4)Cl)N=C1","YPCJYYLEFMHQSV-UHFFFAOYSA-N",54613606,NA,"PDBC14362","749863","Present",NA,NA
+"14363","2-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2,4-bis(sulfanylidene)-1,3,2lambda5,4lambda5-dithiadiphosphetane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2,4-dithioxo-1,3-dithia-2$l5,4$l5-diphosphacyclobutane",NA,"COC1=CC=C(C=C1)P2(=S)SP(=S)(S2)C3=CC=C(C=C3)Cl","WDFOVAZKGVCVCD-UHFFFAOYSA-N",397009,NA,"PDBC14363","704245","Present",NA,NA
+"14364","2-(4-Chlorophenyl)-4-[(7-chloroquinolin-4-yl)amino]-6-(diethylaminomethyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Chloro-5-(7-chloroquinolin-4-ylamino)-3-((diethylamin...",NA,"CCN(CC)CC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)Cl)O","ZXODOMROLXVJNM-UHFFFAOYSA-N",328159,NA,"PDBC14364","305837","Present",NA,NA
+"14365","2-(4-Chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-chlorophenyl)-4-methyl-1-(4-(methylsulfonyl)phenyl)...",NA,"CC1=CN(C(=N1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)C","RIZFWOPNUQFLEF-UHFFFAOYSA-N",9946200,NA,"PDBC14365","740031","Present",NA,NA
+"14366","2-(4-Chlorophenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-4-(methylthio)-3H-1,5-benzodiazepine",NA,"CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)Cl","BNIMMKNKRKZBSF-UHFFFAOYSA-N",371098,NA,"PDBC14366","645045","Present",NA,NA
+"14367","2-(4-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Pyrido[3,2-d][2]benzazepin-6(7H)-one, 2-(4-chlorophen...",NA,"C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CC=C4)C5=CC=C(C=C5)Cl","BLFPIZOYOPMKRK-UHFFFAOYSA-N",388197,NA,"PDBC14367","682765","Present",NA,NA
+"14368","2-(4-Chlorophenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Pyrido[3,2-d][2]benzazepin-6(7H)-thione, 2-(4-chlorop...",NA,"C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=CC=C4)C5=CC=C(C=C5)Cl","ICVTZPMDEQDCID-UHFFFAOYSA-N",3005207,NA,"PDBC14368","682771","Present",NA,NA
+"14369","2-(4-Chlorophenyl)-4-propylidene-1,3-oxazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-4-propylidene-1,3-oxazol-5(4H)-one",NA,"CCC=C1C(=O)OC(=N1)C2=CC=C(C=C2)Cl","KVCHIFCUABPSOQ-KMKOMSMNSA-N",5388445,NA,"PDBC14369","636342","Present",NA,NA
+"14370","2-(4-Chlorophenyl)-4-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XPVZKRRTCHLFRZ-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C(=O)C=C(N2)C3=CC=C(C=C3)Cl","XPVZKRRTCHLFRZ-UHFFFAOYSA-N",236003,NA,"PDBC14370","38007","Present",NA,NA
+"14371","2-(4-Chlorophenyl)-4a,7-dihydro-7-(4-bromobenzoyl)pyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 7-(4-bromobenzoyl)-2-(4-chlorophenyl)-4a,7-dihydropyrrolo[1,2-b]pyridazine-5,6-dicarboxylate",NA,"COC(=O)C1=C(C(N2C1C=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Br)C(=O)OC","MGJVAGRZTPHNRU-UHFFFAOYSA-N",396445,NA,"PDBC14371","702417","Present",NA,NA
+"14372","2-(4-Chlorophenyl)-4a,7-dihydro-7-benzoylpyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 7-benzoyl-2-(4-chlorophenyl)-4a,7-dihydropyrrolo[2,1-f]pyridazine-5,6-dicarboxylate",NA,"COC(=O)C1=C(C(N2C1C=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4)C(=O)OC","OYIRNRPSPSOFHI-UHFFFAOYSA-N",396442,NA,"PDBC14372","702415","Present",NA,NA
+"14373","2-(4-Chlorophenyl)-5,7,7-trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-5,7,7-trimethyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidine",NA,"CC1=CC(N=C2N1N=C(S2)C3=CC=C(C=C3)Cl)(C)C","XVWKBEBKZMDXKW-UHFFFAOYSA-N",369063,NA,"PDBC14373","640620","Present",NA,NA
+"14374","2-(4-Chlorophenyl)-5,7-dihydroxychromene-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-chlorophenyl)-5,7-dihydroxy-4H-chromene-4-thione",NA,"C1=CC(=CC=C1C2=CC(=S)C3=C(C=C(C=C3O2)O)O)Cl","SQKWIVWNSNAGMH-UHFFFAOYSA-N",155813287,NA,"PDBC14374","783090","Present",NA,NA
+"14375","2-(4-Chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazole-3-thione",NA,"COC1=CC(=C(C=C1)OC)C=CC2=NC(=S)N(N2)C3=CC=C(C=C3)Cl","RFAAPHQRLOVTBZ-XCVCLJGOSA-N",60147768,NA,"PDBC14375","752385","Present",NA,NA
+"14376","2-(4-Chlorophenyl)-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-5-methyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one",NA,"CC1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)CCC3=CC=CS3","LESPDIRATLYTST-UHFFFAOYSA-N",60147816,NA,"PDBC14376","752472","Present",NA,NA
+"14377","2-(4-Chlorophenyl)-5-methyl-4-[2-(4-methyl-2-oxochromen-7-yl)oxyethyl]-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(4-methyl-2-oxo-2H-chromen-7-yloxy)ethyl)-2-(4-chlo...",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OCCN3C(=NN(C3=O)C4=CC=C(C=C4)Cl)C","BLVYCTPKUXLYPK-UHFFFAOYSA-N",71652845,NA,"PDBC14377","761736","Present",NA,NA
+"14378","2-(4-Chlorophenyl)-5-methyl-7-(4-methyl-1-piperazinyl)[1,2,4]triazolo[1,5-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-5-methyl-7-(4-methylpiperazin-1-yl)[1...",NA,"CC1=NC2=NC(=NN2C(=C1)N3CCN(CC3)C)C4=CC=C(C=C4)Cl","NBVBJTYUHRBBTF-UHFFFAOYSA-N",318119,NA,"PDBC14378","252359","Present",NA,NA
+"14379","2-(4-Chlorophenyl)-5-nitro-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10F-395S",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])Cl","KJXNOHLXULKUIZ-UHFFFAOYSA-N",376353,NA,"PDBC14379","657185","Present",NA,NA
+"14380","2-(4-Chlorophenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline",NA,"C1C(=NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4)C5=CC=C(C=C5)Cl","HABJZKITEFOBAZ-UHFFFAOYSA-N",399103,NA,"PDBC14380","709519","Present",NA,NA
+"14381","2-(4-Chlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)Cl","TYSPKARFBULHDA-UHFFFAOYSA-N",362320,NA,"PDBC14381","625956","Present",NA,NA
+"14382","2-(4-Chlorophenyl)-6-(ethylsulfanylmethyl)-3,4-diphenyloxan-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-6-(ethylsulfanylmethyl)-3,4-diphenyloxan-4-ol",NA,"CCSCC1CC(C(C(O1)C2=CC=C(C=C2)Cl)C3=CC=CC=C3)(C4=CC=CC=C4)O","SSSTXMLNHBBEBR-UHFFFAOYSA-N",54613287,NA,"PDBC14382","750511","Present",NA,NA
+"14383","2-(4-Chlorophenyl)-7,8,9,10-tetrahydro-3H,11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-4,17-dithia-2,7,8-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one",NA,"C1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)N=C(CS4)C5=CC=C(C=C5)Cl","RCNXFXIFFRKWOE-UHFFFAOYSA-N",384937,NA,"PDBC14383","675759","Present",NA,NA
+"14384","2-(4-Chlorophenyl)-7-(2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-7-(2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-4H-chromen-4-one",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=C(C=C5)Cl","KMERLXXTBRECEL-UHFFFAOYSA-N",371322,NA,"PDBC14384","645396","Present",NA,NA
+"14385","2-(4-Chlorophenyl)-7-(3-((2-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)propoxy)-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-7-(3-((2-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)propoxy)-4H-chromen-4-one",NA,"C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=C(C=C6)Cl)Cl","PAPUHNAWZZHRMA-UHFFFAOYSA-N",373062,NA,"PDBC14385","648894","Present",NA,NA
+"14386","2-(4-Chlorophenyl)-7-(4-nitrobenzoyl)pyrrolo[1,2-b]pyridazine-5,6-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(4-chlorophenyl)-7-(4-nitrobenzoyl)pyrrolo[2,1-f]pyridazine-5,6-dicarboxylate",NA,"COC(=O)C1=C2C=CC(=NN2C(=C1C(=O)OC)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl","BQKVEVWCLNMAMY-UHFFFAOYSA-N",396446,NA,"PDBC14386","702418","Present",NA,NA
+"14387","2-(4-Chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine",NA,"CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)Cl","DSMFZNJRJXGJSS-UHFFFAOYSA-N",222938,NA,"PDBC14387","10036","Present",NA,NA
+"14388","2-(4-Chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-diethylpentane-1,5-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-chlorophenyl)-N-(7-chloroquinolin-4-yl)-N',N'-dieth...///NSC13052",NA,"CCN(CC)CCCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)Cl","FTCNBUOQORTZBK-UHFFFAOYSA-N",223170,NA,"PDBC14388","10492///13052","Present",NA,NA
+"14389","2-(4-Chlorophenyl)-N-[2-(dimethylamino)ethyl]-1H-benzimidazole-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-N-[2-(dimethylamino)ethyl]-1H-benzimidazole-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=C(C=C3)Cl.Cl","QABYPTUHALGLRH-UHFFFAOYSA-N",358108,NA,"PDBC14389","617948","Present",NA,NA
+"14390","2-(4-Chlorophenyl)furo[2,3-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)furo[2,3-b]quinoxaline",NA,"C1=CC=C2C(=C1)N=C3C=C(OC3=N2)C4=CC=C(C=C4)Cl","RSUXLGRUZDJMRW-UHFFFAOYSA-N",389682,NA,"PDBC14390","686137","Present",NA,NA
+"14391","2-(4-Chlorophenyl)imino-3-[2-[4-[2-[2-(4-chlorophenyl)imino-5-oxopyrrolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)imino-3-[2-[4-[2-[2-(4-chlorophenyl)imino-5-oxopyrrolidin-1-yl]-2-oxoethoxy]phenoxy]acetyl]-1,3-thiazolidin-4-one",NA,"C1CC(=O)N(C1=NC2=CC=C(C=C2)Cl)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CSC4=NC5=CC=C(C=C5)Cl","CHSMDCPCSCOYOQ-UHFFFAOYSA-N",394029,NA,"PDBC14391","697147","Present",NA,NA
+"14392","2-(4-Chlorophenyl)pyrido[1,2-a]benzimidazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)pyrido[1,2-a]benzimidazol-4-ol",NA,"C1=CC=C2C(=C1)N=C3N2C=C(C=C3O)C4=CC=C(C=C4)Cl","IRNLXYHYBPEFNR-UHFFFAOYSA-N",384463,NA,"PDBC14392","674265","Present",NA,NA
+"14393","2-(4-Chlorophenyl)sulfanylaniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624237",NA,"C1=CC=C(C(=C1)N)SC2=CC=C(C=C2)Cl.Cl","AAYDEQMXCWRCTQ-UHFFFAOYSA-N",361296,NA,"PDBC14393","624237","Present",NA,NA
+"14394","2-(4-Chlorophenyl)sulfonyl-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Chlorophenyl)sulfonyl]-3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2h-benzo[g]indazole",NA,"COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2S(=O)(=O)C5=CC=C(C=C5)Cl","ITPGLSWUSZMSSB-UHFFFAOYSA-N",403622,NA,"PDBC14394","718690","Present",NA,NA
+"14395","2-(4-Chlorophenyl)sulfonyl-6-methoxy-3-nitropyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778872",NA,"COC1=NC(=C(C=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl","PRKWNRUVAZZHPH-UHFFFAOYSA-N",2801235,NA,"PDBC14395","778872","Present",NA,NA
+"14396","2-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one",NA,"C1=CN2C(=C1)C(=O)C3=C2C=C(S3)C4=CC=C(C=C4)Cl","HMGYGPIKYMCWGW-UHFFFAOYSA-N",388527,NA,"PDBC14396","683511","Present",NA,NA
+"14397","2-(4-Chlorophenylamino)-4-amino-5-(1H-indole-3-ylcarbonyl)thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenylamino)-4-amino-5-(1H-indole-3-ylcarbonyl)thiazole",NA,"C1=CC=C2C(=C1)C(=CN2)C(=O)C3=C(N=C(S3)NC4=CC=C(C=C4)Cl)N","VJPFBEIEOXIDEU-UHFFFAOYSA-N",399624,NA,"PDBC14397","710533","Present",NA,NA
+"14398","2-(4-Chlorophenylamino)-4-amino-5-(coumarin-3-ylcarbonyl)thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-Amino-2-[(4-chlorophenyl)amino]thiazole-5-carbonyl]chromen-2-one",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)C3=C(N=C(S3)NC4=CC=C(C=C4)Cl)N","MFAHVZJDXMXBKR-UHFFFAOYSA-N",399623,NA,"PDBC14398","710532","Present",NA,NA
+"14399","2-(4-Chloropyridin-1-ium-1-yl)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chloro-1.lambda.~5~-pyridin-1-yl)malononitrile",NA,"C1=C[N+](=CC=C1Cl)C(=C=[N-])C#N","OEFJKBVCKWMFRL-UHFFFAOYSA-N",361896,NA,"PDBC14399","625239","Present",NA,NA
+"14400","2-(4-Dimethylaminophenyl)-1-methyl-quinazolin-1-ium-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Dimethylaminophenyl)-1-methyl-quinazolin-1-ium-4-ol",NA,"C[N+]1=C(NC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)N(C)C","BKWOUMBGGHTMMC-UHFFFAOYSA-O",495645,NA,"PDBC14400","664998","Present",NA,NA
+"14401","2-(4-Dimethylaminophenyl)-3-hydroxy-5-pyridin-1-ium-1-yl-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Dimethylaminophenyl)-3-hydroxy-5-pyridin-1-ium-1-yl-inden-1-one",NA,"CN(C)C1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)[N+]4=CC=CC=C4)[O-]","PZMZCXCNGKCBBJ-UHFFFAOYSA-N",385062,NA,"PDBC14401","675991","Present",NA,NA
+"14402","2-(4-Dimethylaminophenylmethylene)-1-cycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Dimethylaminophenylmethylene)-1-cycloheptanone",NA,"CN(C)C1=CC=C(C=C1)C=C2CCCCCC2=O","JDLYSENYNPGACM-WYMLVPIESA-N",5469553,NA,"PDBC14402","689962","Present",NA,NA
+"14403","2-(4-Dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanamine;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Dodecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)ethanamine;bromide",NA,"CCCCCCCCCCCC[N+]12CC[N+](CC1)(CC2)CCN.[Br-]","FZXZBSRHWNDLBP-UHFFFAOYSA-M",373082,NA,"PDBC14403","649001","Present",NA,NA
+"14404","2-(4-Ethoxy-3,5-dimethoxyphenyl)-5-ethyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Ethoxy-3,5-dimethoxyphenyl)-5-ethyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one",NA,"CCC1C(=O)N2C(=NC(=N2)C3=CC(=C(C(=C3)OC)OCC)OC)S1","HSEMDYYMCJJVGV-UHFFFAOYSA-N",378736,NA,"PDBC14404","661836","Present",NA,NA
+"14405","2-(4-Ethoxy-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Ethoxy-phenylamino)-naphtho[2,3-d]thiazole-4,9-dione",NA,"CCOC1=CC=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","BOMLWVXIGKCJOI-UHFFFAOYSA-N",377060,NA,"PDBC14405","658275","Present",NA,NA
+"14406","2-(4-Ethoxypyridin-1-ium-1-yl)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Ethoxy-1.lambda.~5~-pyridin-1-yl)malononitrile",NA,"CCOC1=CC=[N+](C=C1)C(=C=[N-])C#N","OSGOTNBHPCGJMJ-UHFFFAOYSA-N",361892,NA,"PDBC14406","625237","Present",NA,NA
+"14407","2-(4-Ethyl)piperazinyl,4'-dimethoxy)benzoyl Quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Ethyl)piperazinyl,3-(3',4'-dimethoxy)benzoyl Quinox...",NA,"CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)C4=CC(=C(C=C4)OC)OC","NJMQNWWPRZUHIF-UHFFFAOYSA-N",404974,NA,"PDBC14407","721605","Present",NA,NA
+"14408","2-(4-Ethyl)piperazinyl,6-nitroquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-ethyl)piperazinyl,3-benzoyl,6-nitroquinoxaline",NA,"CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C(=O)C4=CC=CC=C4","SJAFHULFCXULGM-UHFFFAOYSA-N",404978,NA,"PDBC14408","721609","Present",NA,NA
+"14409","2-(4-Ethylanilino)-4-methyl-7-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766422",NA,"CCC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)O)C(=C2)C","TXAHZBLJKKTYRX-UHFFFAOYSA-N",135609784,NA,"PDBC14409","766422","Present",NA,NA
+"14410","2-(4-Ethylpiperazinyl)3-p-methoxybenzoyl quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-ethylpiperazinyl)3-p-methoxybenzoyl quinoxaline",NA,"CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)OC","ZGHHWFMOABNUPC-UHFFFAOYSA-N",405315,NA,"PDBC14410","722508","Present",NA,NA
+"14411","2-(4-Fluoro-2-nitro-anilino)-5-methyl-thiophene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Nitro-4-fluorophenyl)amino]-5-methyl-3-thiophenecarbonitrile",NA,"CC1=CC(=C(S1)NC2=C(C=C(C=C2)F)[N+](=O)[O-])C#N","XGXFQXXKRNLQNT-UHFFFAOYSA-N",395464,NA,"PDBC14411","700027","Present",NA,NA
+"14412","2-(4-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluoro-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one",NA,"CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=C(C=C3)F)C","KGFUEOKHUVKWBU-UHFFFAOYSA-N",5468911,NA,"PDBC14412","679027","Present",NA,NA
+"14413","2-(4-Fluoro-phenyl)-6-methyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(4-fluorophenyl)-6-methyl-",NA,"CC1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)F)N=C1","FGJIRNQLEMABNS-UHFFFAOYSA-N",386577,NA,"PDBC14413","679025","Present",NA,NA
+"14414","2-(4-Fluoroanilino)-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3-[1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl]methyl-2-(...",NA,"C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C=C(N=N3)CNC(=O)C4=C(N=CC=C4)NC5=CC=C(C=C5)F","KGJRZQDJKDDRTO-UHFFFAOYSA-N",90680998,NA,"PDBC14414","758359","Present",NA,NA
+"14415","2-(4-Fluoroanilino)quinoxalin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluoroanilino)quinoxalin-6-amine",NA,"C1=CC(=CC=C1NC2=CN=C3C=C(C=CC3=N2)N)F","FGCYGQGVPZGCIX-UHFFFAOYSA-N",374660,NA,"PDBC14415","652760","Present",NA,NA
+"14416","2-(4-Fluorobenzylidene)cycloheptane-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorobenzylidene)cycloheptane-1-one",NA,"C1CCC(=CC2=CC=C(C=C2)F)C(=O)CC1","NVTCGYVILCVZMN-ZRDIBKRKSA-N",5469549,NA,"PDBC14416","689958","Present",NA,NA
+"14417","2-(4-Fluorophenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2OC4=CC=C(C=C4)F","BOMHWDGBDJVPAB-UHFFFAOYSA-N",388004,NA,"PDBC14417","682367","Present",NA,NA
+"14418","2-(4-Fluorophenoxy)-3-phenylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenoxy)-3-phenylquinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)F","PYXRROUOEUTDJI-UHFFFAOYSA-N",386968,NA,"PDBC14418","680195","Present",NA,NA
+"14419","2-(4-Fluorophenyl)-1,8-naphthyridin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenyl)-1,8-naphthyridin-4-ol",NA,"C1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)F)N=C1","OVYNUIGNLQPXLC-UHFFFAOYSA-N",386575,NA,"PDBC14419","679023","Present",NA,NA
+"14420","2-(4-Fluorophenyl)-2H-isoindole-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenyl)-2H-isoindole-1-carbonitrile",NA,"C1=CC2=CN(C(=C2C=C1)C#N)C3=CC=C(C=C3)F","AHBXKDRAAPZAMR-UHFFFAOYSA-N",374886,NA,"PDBC14420","653422","Present",NA,NA
+"14421","2-(4-Fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-fluorophenyl)-4-(4-methoxyphenyl)-1H-imidazole",NA,"COC1=CC=C(C=C1)C2=CN=C(N2)C3=CC=C(C=C3)F","JSVWMVFCKTUIQH-UHFFFAOYSA-N",18673127,NA,"PDBC14421","745612","Present",NA,NA
+"14422","2-(4-Fluorophenyl)-5-(2-thienyl)-3-(2-thienylmethyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Fluorophenyl)-4-(2-thenyl)-2,2'-bithiophene",NA,"C1=CSC(=C1)CC2=C(SC(=C2)C3=CC=CS3)C4=CC=C(C=C4)F","PKCBGENNGWMGRO-UHFFFAOYSA-N",387336,NA,"PDBC14422","681080","Present",NA,NA
+"14423","2-(4-Fluorophenyl)-5-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenyl)-5-[5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]-1,3,4-oxadiazole",NA,"CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C4=NN=C(O4)C5=CC=C(C=C5)F","VNPWFFUHMULMCX-UHFFFAOYSA-N",45027945,NA,"PDBC14423","740241","Present",NA,NA
+"14424","2-(4-Fluorophenyl)-5-methyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(4-fluorophenyl)-5-methyl-",NA,"CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=C(C=C3)F","NKFFANRWJXOODF-UHFFFAOYSA-N",386576,NA,"PDBC14424","679024","Present",NA,NA
+"14425","2-(4-Fluorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)F","IWQBLSUXLYFZKP-UHFFFAOYSA-N",362322,NA,"PDBC14425","625958","Present",NA,NA
+"14426","2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenyl)-7-methyl-1,8-naphthyridin-4-ol",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(C=C3)F","SNGDBODRLXYCRJ-UHFFFAOYSA-N",5468910,NA,"PDBC14426","679026","Present",NA,NA
+"14427","2-(4-Fluorophenyl)-8,8-dimethyl-4-oxo-9H-furo[2,3-h]chromene-9-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenyl)-8,8-dimethyl-4-oxo-9H-furo[2,3-h]chromene-9-carboxylic acid",NA,"CC1(C(C2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=C(C=C4)F)C(=O)O)C","BNXPSWIKHDGCLZ-UHFFFAOYSA-N",388152,NA,"PDBC14427","682716","Present",NA,NA
+"14428","2-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one",NA,"C1=CN2C(=C1)C(=O)C3=C2C=C(S3)C4=CC=C(C=C4)F","OXDCADFCXJCFJG-UHFFFAOYSA-N",388526,NA,"PDBC14428","683510","Present",NA,NA
+"14429","2-(4-Formyl(2-((methylsulfonyl)oxy)ethyl)anilino)ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-",NA,"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=O","DCAJFQDHDVTBOS-UHFFFAOYSA-N",230220,NA,"PDBC14429","268965","Present",NA,NA
+"14430","2-(4-Hexahydro-3H-pyrrolo[1,2-c]imidazol-3-ylidene-2,5-cyclohexadien-1-ylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Hexahydro-3H-pyrrolo[1,2-c]imidazol-3-ylidene-2,5-cyclohexadien-1-ylidene)malononitrile",NA,"C1CC2CNC(=C3C=CC(=C(C#N)C#N)C=C3)N2C1","HRLQBQFIVGHSSR-UHFFFAOYSA-N",363742,NA,"PDBC14430","628933","Present",NA,NA
+"14431","2-(4-Hydroxy-2-butynyl)isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IBNBDAYJRGIYEC-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CC#CCO","IBNBDAYJRGIYEC-UHFFFAOYSA-N",359215,NA,"PDBC14431","619924","Present",NA,NA
+"14432","2-(4-Hydroxy-3-methoxybenzylidene)-5-methoxy-1-indanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-308/15495028",NA,"COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=C(C=C3)O)OC)C2","JFCINICPADEORI-NTUHNPAUSA-N",5468150,NA,"PDBC14432","665376","Present",NA,NA
+"14433","2-(4-Hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Hydroxy-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)-N-phenylacetamide",NA,"C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CC(=O)NC4=CC=CC=C4","VSIYMRRBFFSGLP-UHFFFAOYSA-N",370233,NA,"PDBC14433","643002","Present",NA,NA
+"14434","2-(4-Hydroxybenzylidene)-1-benzofuran-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-308/15495080",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)O)O2","BAYNHPXTNUSVIZ-ZROIWOOFSA-N",1798422,NA,"PDBC14434","657003","Present",NA,NA
+"14435","2-(4-Hydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Hydroxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl acetate",NA,"CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)O)O2","AOHYJZFBWLTAOC-PXNMLYILSA-N",5467628,NA,"PDBC14435","657012","Present",NA,NA
+"14436","2-(4-Hydroxybenzylidene)-5-((phenyl-amino)methyl)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-hydroxybenzylidene)-5-((phenyl-amino)methyl)cyclope...",NA,"C1CC(=CC2=CC=C(C=C2)O)C(=O)C1CNC3=CC=CC=C3","VBRBKBFKWVQYLK-NTCAYCPXSA-N",5467972,NA,"PDBC14436","661232","Present",NA,NA
+"14437","2-(4-Hydroxyphenyl)-5,6-dimethoxy-3H-isoindol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Hydroxyphenyl)-5,6-dimethoxy-2,3-dihydro-1H-isoindol-1-one",NA,"COC1=C(C=C2C(=C1)CN(C2=O)C3=CC=C(C=C3)O)OC","XQUVLPCXLLTDEC-UHFFFAOYSA-N",379553,NA,"PDBC14437","664229","Present",NA,NA
+"14438","2-(4-Hydroxyphenyl)-5,6-dimethoxyisoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Hydroxyphenyl)-5,6-dimethoxy-1H-isoindole-1,3(2H)-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)O)OC","PHCDNFHIGYQWAV-UHFFFAOYSA-N",379552,NA,"PDBC14438","664228","Present",NA,NA
+"14439","2-(4-Hydroxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Hydroxyphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)O","WGSGXJHQSGQOFW-UHFFFAOYSA-N",364110,NA,"PDBC14439","629779","Present",NA,NA
+"14440","2-(4-Hydroxyphenyltelluro)-3-methylnaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Hydroxyphenyltelluro)-3-methylnaphthalene-1,4-dione",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)[Te]C3=CC=C(C=C3)O","SZGZHTGTBXCUQD-UHFFFAOYSA-N",49782989,NA,"PDBC14440","748879","Present",NA,NA
+"14441","2-(4-Hydroxypiperidin-1-yl)-4-(3-(trifluoromethyl)phenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-hydroxypiperidin-1-yl)-4-(3-(trifluoromethyl)phenyl...",NA,"C1CN(CCC1O)C2=NC3=C(C(=O)NC=C3)C(=N2)NC4=CC=CC(=C4)C(F)(F)F","KESYUFNFYLJZHN-UHFFFAOYSA-N",58494270,NA,"PDBC14441","751829","Present",NA,NA
+"14442","2-(4-Hydroxypiperidin-1-yl)-4-(4-morpholinophenylamino)pyrido[4,3-d]pyrimidin-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-hydroxypiperidin-1-yl)-4-(4-morpholinophenylamino)p...",NA,"C1CN(CCC1O)C2=NC3=C(C(=O)NC=C3)C(=N2)NC4=CC=C(C=C4)N5CCOCC5","KHJMBIAHNUWJPW-UHFFFAOYSA-N",58494192,NA,"PDBC14442","751830","Present",NA,NA
+"14443","2-(4-Imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)ethyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Imino-2-oxo-3,4-dihydro-1(2H)-pyrimidinyl)ethyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCCN2C=CC(=NC2=O)N","LYHLMJBEGDMHSX-UHFFFAOYSA-N",367643,NA,"PDBC14443","637521","Present",NA,NA
+"14444","2-(4-Iodobenzyl)ellipticine, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-iodobenzyl)ellipticine, hydrochloride",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)CC5=CC=C(C=C5)I.[Cl-]","UTLRRQXGPHVVQQ-UHFFFAOYSA-N",354096,NA,"PDBC14444","604574","Present",NA,NA
+"14445","2-(4-Iodocuban-1-yl)-4,4-dimethyl-5H-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Iodocuban-1-yl)-4,4-dimethyl-5H-oxazole",NA,"CC1(COC(=N1)C23C4C5C2C6C3C4C56I)C","XELFLHGSUCKBSJ-UHFFFAOYSA-N",369181,NA,"PDBC14445","640887","Present",NA,NA
+"14446","2-(4-Isopropoxyphenyl)-5,6,7,8-tetramethoxy-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-[4-(1-meth...",NA,"CC(C)OC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC","RTUSIIWBOUVOLS-UHFFFAOYSA-N",256422,NA,"PDBC14446","83281","Present",NA,NA
+"14447","2-(4-Isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Isoquinolin-2-ium-2-ylbutyl)isoquinolin-2-ium;bromide",NA,"C1=CC=C2C=[N+](C=CC2=C1)CCCC[N+]3=CC4=CC=CC=C4C=C3.[Br-]","QPVPVCDGRWSRMY-UHFFFAOYSA-M",5351749,NA,"PDBC14447","36369","Present",NA,NA
+"14448","2-(4-Methoxy-1-naphthyl)-2-azaspiro[4.5]decane-1,3,4-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxy-1-naphthyl)-2-azaspiro[4.5]decane-1,3,4-trione",NA,"COC1=CC=C(C2=CC=CC=C21)N3C(=O)C(=O)C4(C3=O)CCCCC4","FMWMASHMRSQBFK-UHFFFAOYSA-N",379235,NA,"PDBC14448","663649","Present",NA,NA
+"14449","2-(4-Methoxy-1-naphthylamino)-2-oxazoline hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663624",NA,"COC1=CC=C(C2=CC=CC=C21)NC3=NCCO3.Br","MQDHBLTVQQWDGA-UHFFFAOYSA-N",379211,NA,"PDBC14449","663624","Present",NA,NA
+"14450","2-(4-Methoxy-benzenesulfonylamino)-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL296394",NA,"COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)O","AIUKHSIQGFTDMT-UHFFFAOYSA-N",362839,NA,"PDBC14450","627211","Present",NA,NA
+"14451","2-(4-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbodith ioic acid 3-thioxo-5,1-c][1,2,4] thiadiazol-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxy-benzenesulfonylimino)-imidazolidine-1-carbo...",NA,"COC1=CC=C(C=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S","WAGGPKJMAYNWJX-UHFFFAOYSA-N",24205067,NA,"PDBC14451","734149","Present",NA,NA
+"14452","2-(4-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxy-phenyl)-5,7-dimethyl-1H-[1,8]naphthyridin-4-one",NA,"CC1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=C(C=C3)OC)C","GCSUBMSZKQPPKZ-UHFFFAOYSA-N",5468703,NA,"PDBC14452","674688","Present",NA,NA
+"14453","2-(4-Methoxy-phenyl)-5-methyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-5-methyl-1,8-naphthyridin-4(1h)-one",NA,"CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=C(C=C3)OC","RDWYUHASFATBBC-UHFFFAOYSA-N",384642,NA,"PDBC14453","674685","Present",NA,NA
+"14454","2-(4-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxy-phenyl)-7-methyl-1H-[1,8]naphthyridin-4-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(C=C3)OC","USFXGJMYRKGHCG-UHFFFAOYSA-N",5468702,NA,"PDBC14454","674687","Present",NA,NA
+"14455","2-(4-Methoxyacridin-9-yl)sulfanyl-N-[2-[2-[[2-(4-methoxyacridin-9-yl)sulfanylacetyl]amino]phenyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyacridin-9-yl)sulfanyl-N-[2-[2-[[2-(4-methoxyacridin-9-yl)sulfanylacetyl]amino]phenyl]phenyl]acetamide",NA,"COC1=CC=CC2=C(C3=CC=CC=C3N=C21)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CSC6=C7C=CC=C(C7=NC8=CC=CC=C86)OC","ULLCQWOVPRVLAE-UHFFFAOYSA-N",364063,NA,"PDBC14455","629703","Present",NA,NA
+"14456","2-(4-Methoxyanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyanilino)-N-(4-oxo-2-phenyl-3(4H)-quinazolinyl)acetamide",NA,"COC1=CC=C(C=C1)NCC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4","BVRGHXOSKYDFFK-UHFFFAOYSA-N",376437,NA,"PDBC14456","657351","Present",NA,NA
+"14457","2-(4-Methoxyanilino)-N-(6-((4-methoxyanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyanilino)-N-(6-((4-methoxyanilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)acetamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)C(=O)N1NC(=O)CNC4=CC=C(C=C4)OC","VVFMQFQZTIEHIJ-UHFFFAOYSA-N",390405,NA,"PDBC14457","687759","Present",NA,NA
+"14458","2-(4-Methoxybenzyl)-5-chlorobenzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxybenzyl)-5-chlorobenzoxazole",NA,"COC1=CC=C(C=C1)CC2=NC3=C(O2)C=CC(=C3)Cl","SHXGWEUTKFRNPP-UHFFFAOYSA-N",401568,NA,"PDBC14458","715263","Present",NA,NA
+"14459","2-(4-Methoxybenzylamino)-3-methyl-5-(2-chlorobenzylidene)-1-imidazoline-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxybenzylamino)-3-methyl-5-(2-chlorobenzylidene)-1-imidazoline-4-one",NA,"CN1C(=O)C(=CC2=CC=CC=C2Cl)NC1=NCC3=CC=C(C=C3)OC","TUSRCWWXNUNUGZ-BOPFTXTBSA-N",135436198,NA,"PDBC14459","713593","Present",NA,NA
+"14460","2-(4-Methoxybenzylamino)-4-(3,4-dimethoxybenzylamino)-6-(cyclohexylamino)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-N'-(3,4-dimethoxy-benzyl)-N''-(4-methoxy-be...",NA,"COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCCC3)NCC4=CC(=C(C=C4)OC)OC","WOTJIYBLYJDISE-UHFFFAOYSA-N",405307,NA,"PDBC14460","722500","Present",NA,NA
+"14461","2-(4-Methoxybenzylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxybenzylidene)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3(2H)-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3CCN=C3S2","IANPDPCQGWKFJB-FLIBITNWSA-N",913916,NA,"PDBC14461","623790","Present",NA,NA
+"14462","2-(4-Methoxybenzylidene)cycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxybenzylidene)cycloheptanone",NA,"COC1=CC=C(C=C1)C=C2CCCCCC2=O","XKNSEAKHAWMCQK-ACCUITESSA-N",5469543,NA,"PDBC14462","689952","Present",NA,NA
+"14463","2-(4-Methoxybenzylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629632",NA,"COC1=CC=C(C=C1)C=C2CCCCC2=O","JURVLOCWPWGFIG-ZRDIBKRKSA-N",831238,NA,"PDBC14463","629632","Present",NA,NA
+"14464","2-(4-Methoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenoxy)-3-phenyl-6-(trifluoromethyl)quinoxaline",NA,"COC1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","BKJWGNMBBVGWTH-UHFFFAOYSA-N",386966,NA,"PDBC14464","680193","Present",NA,NA
+"14465","2-(4-Methoxyphenyl)-1,1-bis(4-phenylmethoxyphenyl)butan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis[4-(benzyloxy)phenyl]-2-(4-methoxyphenyl)butan-2-ol",NA,"CCC(C1=CC=C(C=C1)OC)(C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)OCC5=CC=CC=C5)O","IFKJVVOEQWPCOG-UHFFFAOYSA-N",370879,NA,"PDBC14465","644615","Present",NA,NA
+"14466","2-(4-Methoxyphenyl)-1,8-naphthyridin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-1,8-naphthyridin-4-ol",NA,"COC1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=CC=C3","RVAMJFMMYXKWAR-UHFFFAOYSA-N",384641,NA,"PDBC14466","674684","Present",NA,NA
+"14467","2-(4-Methoxyphenyl)-1-methylene-3-(p-tolyl)pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-1-methylene-3-(p-tolyl)pyrazino[1,2-a]benzimidazole",NA,"CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OC","KUVYRUCQWNOKGH-UHFFFAOYSA-N",390234,NA,"PDBC14467","687526","Present",NA,NA
+"14468","2-(4-Methoxyphenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-1-methylene-3-phenyl-pyrazino[1,2-a]benzimidazole",NA,"COC1=CC=C(C=C1)N2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC=CC=C5","VUGPMUJMIOGVIF-UHFFFAOYSA-N",390229,NA,"PDBC14468","687521","Present",NA,NA
+"14469","2-(4-Methoxyphenyl)-11-methyl-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-18-methyl-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1=C2C(=CC=C1)C3=C(N2)C4C(C5C3CCC(C5)C6=CC=CC=C6)C(=O)N(C4=O)C7=CC=C(C=C7)OC","YYRMECDQTJRLCR-UHFFFAOYSA-N",390913,NA,"PDBC14469","689134","Present",NA,NA
+"14470","2-(4-Methoxyphenyl)-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_007437",NA,"COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2","HETSSARHFAGODR-UHFFFAOYSA-N",135430309,NA,"PDBC14470","682438","Present",NA,NA
+"14471","2-(4-Methoxyphenyl)-2,3,4,5,6,7-hexahydro-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-2,3,4,5,6,7-hexahydro-1H-benzimidazole",NA,"COC1=CC=C(C=C1)C2NC3=C(N2)CCCC3","PAQGIZGFCHCPHJ-UHFFFAOYSA-N",373869,NA,"PDBC14471","650832","Present",NA,NA
+"14472","2-(4-Methoxyphenyl)-2-(methylamino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-10039",NA,"CNC(C#N)C1=CC=C(C=C1)OC","IRDYATXCQRCAGX-UHFFFAOYSA-N",387691,NA,"PDBC14472","681720","Present",NA,NA
+"14473","2-(4-Methoxyphenyl)-2-vinyl-1,3-dioxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-2-vinyl-1,3-dioxane",NA,"COC1=CC=C(C=C1)C2(OCCCO2)C=C","SMIIKDAIGAASSK-UHFFFAOYSA-N",383345,NA,"PDBC14473","671459","Present",NA,NA
+"14474","2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)acrylonitrile",NA,"COC1=CC=C(C=C1)C(=CC2=CC(=C(C(=C2)OC)OC)OC)C#N","TWQVQTHANQGUMN-OQLLNIDSSA-N",5831763,NA,"PDBC14474","332172","Present",NA,NA
+"14475","2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanonit...",NA,"COC1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)OC)OC)OC)C#N","HOEGAADPJGVIFT-UHFFFAOYSA-N",368137,NA,"PDBC14475","638480","Present",NA,NA
+"14476","2-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-3- (3,4,5-trimethoxyphenyl)-propioni...",NA,"COC1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)O","XTQOKYUJTXTOOZ-UHFFFAOYSA-N",368835,NA,"PDBC14476","640127","Present",NA,NA
+"14477","2-(4-Methoxyphenyl)-3-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-methoxy)phenyl-3-((4-methanesulfide)phenyl)imidazo[...",NA,"COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C4=CC=C(C=C4)SC","BNIUKULMJGZVCF-UHFFFAOYSA-N",405133,NA,"PDBC14477","722170","Present",NA,NA
+"14478","2-(4-Methoxyphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-methoxy)phenyl-3-((4-methanesulfonyl)phenyl)imidazo...",NA,"COC1=CC=C(C=C1)C2=C(N3C=CC=NC3=N2)C4=CC=C(C=C4)S(=O)(=O)C","SSARXDLPJGIOOC-UHFFFAOYSA-N",405131,NA,"PDBC14478","722168","Present",NA,NA
+"14479","2-(4-Methoxyphenyl)-3a,3b,4,5,6,7,8,9,10,10a,15,15b-dodecahydro-1H-cyclonona[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(4-Methoxyphenyl)-9,13-diazapentacyclo[14.7.0.02,10.03,8.011,15]tricosa-2(10),3,5,7-tetraene-12,14-dione",NA,"COC1=CC=C(C=C1)N2C(=O)C3C4CCCCCCCC4C5=C(C3C2=O)NC6=CC=CC=C65","VCDXHZUBOZUMDL-UHFFFAOYSA-N",379239,NA,"PDBC14479","663653","Present",NA,NA
+"14480","2-(4-Methoxyphenyl)-3a,3b,4,5,6,7,8,9,10,11,12,12a,17,17b-tetradecahydro-1H-cycloundeca[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(4-Methoxyphenyl)-9,13-diazapentacyclo[14.9.0.02,10.03,8.011,15]pentacosa-2(10),3,5,7-tetraene-12,14-dione",NA,"COC1=CC=C(C=C1)N2C(=O)C3C4CCCCCCCCCC4C5=C(C3C2=O)NC6=CC=CC=C65","NXBKXOJXZYWTER-UHFFFAOYSA-N",379237,NA,"PDBC14480","663651","Present",NA,NA
+"14481","2-(4-Methoxyphenyl)-3b,4,5,6,7,8,9,10,11,12,13,13a,18,18b-tetradecahydrocyclododeca[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(4-Methoxyphenyl)-9,13-diazapentacyclo[14.10.0.02,10.03,8.011,15]hexacosa-2(10),3,5,7-tetraene-12,14-dione",NA,"COC1=CC=C(C=C1)N2C(=O)C3C4CCCCCCCCCCC4C5=C(C3C2=O)NC6=CC=CC=C65","CYCJNRNAHZIKNF-UHFFFAOYSA-N",373643,NA,"PDBC14481","650363","Present",NA,NA
+"14482","2-(4-Methoxyphenyl)-4,5,6-trimethoxyindan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-4,5,6-trimethoxyindan-3-one",NA,"COC1=CC=C(C=C1)C2CC3=CC(=C(C(=C3C2=O)OC)OC)OC","XVJMKZINRLOIEF-UHFFFAOYSA-N",368833,NA,"PDBC14482","640125","Present",NA,NA
+"14483","2-(4-Methoxyphenyl)-4,5,6-trimethoxyindane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-4,5,6-trimethoxyindane",NA,"COC1=CC=C(C=C1)C2CC3=CC(=C(C(=C3C2)OC)OC)OC","TWOIUJOADBRPFH-UHFFFAOYSA-N",368834,NA,"PDBC14483","640126","Present",NA,NA
+"14484","2-(4-Methoxyphenyl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-methyl-1H-pyr...",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CC=C(C=C4)OC","JFEGIXHMJWUOKV-UHFFFAOYSA-N",54613605,NA,"PDBC14484","749862","Present",NA,NA
+"14485","2-(4-Methoxyphenyl)-4-methyl-5,5-diphenyl-3-pyrazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-4-methyl-5,5-diphenyl-3-pyrazolidinone",NA,"CC1C(=O)N(NC1(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC","IGVATZBOONVYEJ-UHFFFAOYSA-N",383528,NA,"PDBC14485","671945","Present",NA,NA
+"14486","2-(4-Methoxyphenyl)-4-methylsulfanyl-3H-1,5-benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-4-(methylthio)-3H-1,5-benzodiazepine",NA,"COC1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C(C2)SC","WTJZQIABEHYFKS-UHFFFAOYSA-N",371097,NA,"PDBC14486","645044","Present",NA,NA
+"14487","2-(4-Methoxyphenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-4-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,"COC1=CC=C(C=C1)C2=NC3=C(CC(=O)NC4=CC=CC=C43)C(=C2)C5=CC=CC=C5","XFIIQAJSZDQULU-UHFFFAOYSA-N",388198,NA,"PDBC14487","682766","Present",NA,NA
+"14488","2-(4-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidine-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]...",NA,"COC1=CC=C(C=C1)C2=NC3=C(C4=C(S3)CCCCCC4)C(=O)N2","OGLRTDWRLKEDAG-UHFFFAOYSA-N",125997259,NA,"PDBC14488","775877","Present",NA,NA
+"14489","2-(4-Methoxyphenyl)-5,9-dimethyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-9,16-dimethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)C)C(=O)N(C3=O)C6=CC=C(C=C6)OC","VENREXJNMXUIOK-UHFFFAOYSA-N",381740,NA,"PDBC14489","668600","Present",NA,NA
+"14490","2-(4-Methoxyphenyl)-5-(4-methylphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-5-(p-tolyl)-4,5,10,10b-tetrahydro-3aH-pyrrolo[3,4-a]carbazole-1,3-dione",NA,"CC1=CC=C(C=C1)C2CC3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","IIWGYBSSXDFKAD-UHFFFAOYSA-N",373645,NA,"PDBC14490","650365","Present",NA,NA
+"14491","2-(4-Methoxyphenyl)-5-[8-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-5-[8-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole",NA,"COC1=CC=C(C=C1)C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)C4=CC=C(C=C4)OC","JROJAGQYCFTTDW-UHFFFAOYSA-N",394070,NA,"PDBC14491","697188","Present",NA,NA
+"14492","2-(4-Methoxyphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,"CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)OC","JWDLSSYXAGGQHA-UHFFFAOYSA-N",394798,NA,"PDBC14492","698600","Present",NA,NA
+"14493","2-(4-Methoxyphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,"CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)OC","LEFLHZBGYCMOAC-UHFFFAOYSA-N",394801,NA,"PDBC14493","698603","Present",NA,NA
+"14494","2-(4-Methoxyphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-5-nitro-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one",NA,"COC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC(=C3)[N+](=O)[O-]","LMNBANUOALYQQA-UHFFFAOYSA-N",394802,NA,"PDBC14494","698604","Present",NA,NA
+"14495","2-(4-Methoxyphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-5-nitro-isothiazolo[5,4-b]pyridin-3-one",NA,"COC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)[N+](=O)[O-]","VDUJLOYKPUKRLR-UHFFFAOYSA-N",393168,NA,"PDBC14495","694622","Present",NA,NA
+"14496","2-(4-Methoxyphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline",NA,"COC1=CC=C(C=C1)C2=NN=C3C(=NC4=CC=CC=C4N3C2)C5=CC=CC=C5","XWXFVNNUHYTIOG-UHFFFAOYSA-N",399105,NA,"PDBC14496","709521","Present",NA,NA
+"14497","2-(4-Methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C7=CC=CC=C7","CIYQXMCNGXZKMO-UHFFFAOYSA-N",390910,NA,"PDBC14497","689131","Present",NA,NA
+"14498","2-(4-Methoxyphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,"COC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC(=C3)C4=CC=CC=C4","AUNZNJCWXMECBV-UHFFFAOYSA-N",395861,NA,"PDBC14498","700863","Present",NA,NA
+"14499","2-(4-Methoxyphenyl)-6,7-dimethyl-4-oxochromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-6,7-dimethyl-2-(4-methoxyphenyl)-4H-1-benzopyran-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)OC","GMXSJYMZSFKIPF-UHFFFAOYSA-N",360068,NA,"PDBC14499","621866","Present",NA,NA
+"14500","2-(4-Methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxyphenyl)-3-(4-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide",NA,"COC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]","WHTJBPZDEQWBQD-UHFFFAOYSA-M",376155,NA,"PDBC14500","656671","Present",NA,NA
+"14501","2-(4-Methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;perchlorate",NA,"COC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].[O-]Cl(=O)(=O)=O","IMMKGUBYCGURGU-UHFFFAOYSA-M",24202432,NA,"PDBC14501","656677","Present",NA,NA
+"14502","2-(4-Methoxyphenyl)-6-methyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-6-methyl-1,8-naphthyridin-4(1h)-one",NA,"CC1=CC2=C(NC(=CC2=O)C3=CC=C(C=C3)OC)N=C1","WAQCUFMSLSYOIU-UHFFFAOYSA-N",384643,NA,"PDBC14502","674686","Present",NA,NA
+"14503","2-(4-Methoxyphenyl)-6-nitro-quinazolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-6-nitroquinazolin-4(1H)-one",NA,"COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2","YWYUQDNDRDSBQZ-UHFFFAOYSA-N",135429958,NA,"PDBC14503","626523","Present",NA,NA
+"14504","2-(4-Methoxyphenyl)-7-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-11-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1CCCC2C1C3=C(C4C2C(=O)N(C4=O)C5=CC=C(C=C5)OC)NC6=CC=CC=C63","JQULSAYEPOTISD-UHFFFAOYSA-N",395264,NA,"PDBC14504","699742","Present",NA,NA
+"14505","2-(4-Methoxyphenyl)-7-phenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(4-Methoxyphenyl)-5-phenyl-6,10-dithia-1,8,13-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one",NA,"COC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC(=C4)C5=CC=CC=C5","JQCIEWDBXDPFTD-UHFFFAOYSA-N",384945,NA,"PDBC14505","675769","Present",NA,NA
+"14506","2-(4-Methoxyphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide",NA,"COC1=CC=C(C=C1)CC(=O)NCCC2=C(C(=C(C=C2)OC)OC)OC","KQEQMMMCKJWLTG-UHFFFAOYSA-N",370340,NA,"PDBC14506","643239","Present",NA,NA
+"14507","2-(4-Methoxyphenyl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE25359",NA,"CCC(C1=CC=C(C=C1)OC)C(=O)O","SHXBXUJGKPPUOS-UHFFFAOYSA-N",34657,NA,"PDBC14507","617282","Present",NA,NA
+"14508","2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one",NA,"COC1=CC=C(C=C1)N2C(=O)C3=C(S2)N=CC=C3","AZVIMHSUSDTTCB-UHFFFAOYSA-N",393167,NA,"PDBC14508","694621","Present",NA,NA
+"14509","2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,"COC1=CC=C(C=C1)N2C(=O)C3=C(S2(=O)=O)N=CC=C3","GMONRTKOBGKSNA-UHFFFAOYSA-N",395671,NA,"PDBC14509","700453","Present",NA,NA
+"14510","2-(4-Methoxyphenyl)pyrido[1,2-a]benzimidazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)pyrido[1,2-a]benzimidazol-4-ol",NA,"COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C2)O","VKQRBBMSIIKZPC-UHFFFAOYSA-N",384464,NA,"PDBC14510","674266","Present",NA,NA
+"14511","2-(4-Methoxyphenyl)sulfanylaniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624236",NA,"COC1=CC=C(C=C1)SC2=CC=CC=C2N.Cl","RZHYAXXQNCWSQO-UHFFFAOYSA-N",361294,NA,"PDBC14511","624236","Present",NA,NA
+"14512","2-(4-Methoxyphenylamino)-6,7-dimethyl-8H-[1,3,4]thiadiazolo[3,2-a]thieno[2,3-d]pyrimidine-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Methoxyanilino)-4,5-dimethyl-6,10-dithia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)SC(=N3)NC4=CC=C(C=C4)OC)C","APZSQZKGJVLXIA-UHFFFAOYSA-N",402648,NA,"PDBC14512","716823","Present",NA,NA
+"14513","2-(4-Methoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl) nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-methoxyphenylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,...",NA,"COC1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CN(N=N3)CC4=CC(=CC=C4)OC5=CC=CC=C5","MSMUAOWQNKQEJV-UHFFFAOYSA-N",90681001,NA,"PDBC14513","758362","Present",NA,NA
+"14514","2-(4-Methoxyphenyldiphenylmethylthio)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyldiphenylmethylthio)ethanol",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCO","YGBDGLMWFPTUFS-UHFFFAOYSA-N",401182,NA,"PDBC14514","714383","Present",NA,NA
+"14515","2-(4-Methyl-2-(methylthio)-6-((triphenylphosphoranylidene)amino)-5-pyrimidinyl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methyl-2-(methylthio)-6-((triphenylphosphoranylidene)amino)-5-pyrimidinyl)ethyl acetate",NA,"CC1=C(C(=NC(=N1)SC)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCOC(=O)C","QWRVNWFRZAIGBO-UHFFFAOYSA-N",377279,NA,"PDBC14515","658532","Present",NA,NA
+"14516","2-(4-Methyl-piperazin-1-yl)-7-phenyl-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methyl-piperazin-1-yl)-7-phenyl-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one",NA,"CN1CCN(CC1)C2=NC=C3C4=C(C(=O)N(C=N4)C5=CC=CC=C5)SC3=N2","SERKAFCKSHKHDK-UHFFFAOYSA-N",394395,NA,"PDBC14516","697795","Present",NA,NA
+"14517","2-(4-Methylanilino)-1-thia-3,9-diaza-9H-fluorene-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Methylphenyl)amino][1,3]thiazino[6,5-b]indol-4(9h)-one",NA,"CC1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)NC4=CC=CC=C43","OSQBDCMNYUFCDA-UHFFFAOYSA-N",405282,NA,"PDBC14517","722435","Present",NA,NA
+"14518","2-(4-Methylanilino)-9-(tert-butyloxycarbonyl)-1-thia-3,9-diaza-9H-fluorene-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-[(4-methylphenyl)amino]-4-oxo[1,3]thiazino[6,5-b]indole-9(4h)-carboxylate",NA,"CC1=CC=C(C=C1)NC2=NC(=O)C3=C(S2)N(C4=CC=CC=C43)C(=O)OC(C)(C)C","JRBDEDSKKMNOMV-UHFFFAOYSA-N",405281,NA,"PDBC14518","722434","Present",NA,NA
+"14519","2-(4-Methylanilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylanilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,"CC1=CC=C(C=C1)NC2=NC3=C(S2)C(=O)C4=CC=CC=C4C3=O","ANHRLFGGMHXEDA-UHFFFAOYSA-N",362272,NA,"PDBC14519","625883","Present",NA,NA
+"14520","2-(4-Methylbenzylidene)cycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylbenzylidene)cycloheptanone",NA,"CC1=CC=C(C=C1)C=C2CCCCCC2=O","FNGWXRFKXATYSZ-SDNWHVSQSA-N",5469545,NA,"PDBC14520","689954","Present",NA,NA
+"14521","2-(4-Methylbenzylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629631",NA,"CC1=CC=C(C=C1)C=C2CCCCC2=O","ZMOQPFKSFJYXDN-JLHYYAGUSA-N",5387900,NA,"PDBC14521","629631","Present",NA,NA
+"14522","2-(4-Methylbenzylidene)cyclohexanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629633",NA,"CC1=CC=C(C=C1)C=C2CCCCC2=NO","DYMYTHAULUTHEV-XLDKJKIHSA-N",6375159,NA,"PDBC14522","629633","Present",NA,NA
+"14523","2-(4-Methylphenoxy)aniline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624229",NA,"CC1=CC=C(C=C1)OC2=CC=CC=C2N.Cl","ZHPOBCXNLCEIDO-UHFFFAOYSA-N",361287,NA,"PDBC14523","624229","Present",NA,NA
+"14524","2-(4-Methylphenyl)-1H-perimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-353/13336029",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3C(=CC=C4)N2","VQHBDGIIHYIOAB-UHFFFAOYSA-N",376356,NA,"PDBC14524","657189","Present",NA,NA
+"14525","2-(4-Methylphenyl)-3-pyrrolidin-1-yl-3-sulfanylidene-1H-benzo[f][1,3,2]benzoxazaphosphinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylphenyl)-3-pyrrolidin-1-yl-3-sulfanylidene-1H-benzo[f][1,3,2]benzoxazaphosphinine",NA,"CC1=CC=C(C=C1)N2CC3=C(C=CC4=CC=CC=C34)OP2(=S)N5CCCC5","JZQGJDKCUXLIMV-UHFFFAOYSA-N",360391,NA,"PDBC14525","622456","Present",NA,NA
+"14526","2-(4-Methylphenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methylphenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide",NA,"CC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","LSYFFIOZGSYGSJ-UHFFFAOYSA-M",376151,NA,"PDBC14526","656669","Present",NA,NA
+"14527","2-(4-Methylphenyl)-4-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylphenyl)-4-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,"CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC(=CC=C4)[N+](=O)[O-]","UKAMSRDHYLNTCB-UHFFFAOYSA-N",359802,NA,"PDBC14527","621362","Present",NA,NA
+"14528","2-(4-Methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylphenyl)-5-(2-naphthyl)-1,3,4-oxadiazole",NA,"CC1=CC=C(C=C1)C2=NN=C(O2)C3=CC4=CC=CC=C4C=C3","QGEPNMGVLCARHP-UHFFFAOYSA-N",260000,NA,"PDBC14528","90810","Present",NA,NA
+"14529","2-(4-Methylphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylphenyl)-5-phenyl-1H-[1,2,4]triazino[4,3-a]quinoxaline",NA,"CC1=CC=C(C=C1)C2=NN=C3C(=NC4=CC=CC=C4N3C2)C5=CC=CC=C5","XDONRLKNFFUDST-UHFFFAOYSA-N",399104,NA,"PDBC14529","709520","Present",NA,NA
+"14530","2-(4-Methylphenyl)-6-(4-nitrophenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methylphenyl)-3-(4-nitrophenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide",NA,"CC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]","VRWYKMZNNGHUSC-UHFFFAOYSA-M",376159,NA,"PDBC14530","656673","Present",NA,NA
+"14531","2-(4-Methylphenyl)-7-phenyl-3H,9H-thieno[2',3':4,5]pyrimido[2,1-b][1,3,4]thiadiazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-phenyl-2-(p-tolyl)-3H-thieno[[?]:[?]]pyrimido[[?]][1,3,4]thiadiazin-9-one",NA,"CC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC(=C4)C5=CC=CC=C5","GGQXULRCXQNTQO-UHFFFAOYSA-N",384944,NA,"PDBC14531","675768","Present",NA,NA
+"14532","2-(4-Methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylphenyl)-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-amine",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN=CC=CC4=CC=CC=C4","RTWWUUPHKOZVNB-ALRKKBJSSA-N",9572424,NA,"PDBC14532","716045","Present",NA,NA
+"14533","2-(4-Methylphenyl)pyrido[1,2-a]benzimidazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylphenyl)pyrido[1,2-a]benzimidazol-4-ol",NA,"CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C2)O","YHWZUALEVUPJAX-UHFFFAOYSA-N",384462,NA,"PDBC14533","674264","Present",NA,NA
+"14534","2-(4-Methylphenyl)sulfanylaniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632997",NA,"CC1=CC=C(C=C1)SC2=CC=CC=C2N.Cl","HBHPMEBRXDYMAE-UHFFFAOYSA-N",365384,NA,"PDBC14534","632997","Present",NA,NA
+"14535","2-(4-Methylpiperazinoacetylamino)-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylpiperazinoacetylamino)-4-thiazolecarboxylic acid ethyl ester",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCN(CC2)C","BHKBWMYHFRKACP-UHFFFAOYSA-N",396824,NA,"PDBC14535","703828","Present",NA,NA
+"14536","2-(4-Methylpiperazinyl)3-p-chlorobenzoyl quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-methylpiperazinyl)3-p-chlorobenzoyl quinoxaline",NA,"CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)Cl","AZFAVCONKLIHPB-UHFFFAOYSA-N",405318,NA,"PDBC14536","722511","Present",NA,NA
+"14537","2-(4-Methylsulfanyl-2-thienyl)-5-[5-(4-methylsulfanyl-2-thienyl)-2-thienyl]thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylsulfanyl-2-thienyl)-5-[5-(4-methylsulfanyl-2-thienyl)-2-thienyl]thiophene",NA,"CSC1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC(=CS4)SC","AKZBVOCRTHFJAI-UHFFFAOYSA-N",393780,NA,"PDBC14537","696465","Present",NA,NA
+"14538","2-(4-Methylsulfanyl-6-phenyl-1,3,5-triazin-2-yl)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylsulfanyl-6-phenyl-1,3,5-triazin-2-yl)propanedinitrile",NA,"CSC1=NC(=NC(=N1)C(C#N)C#N)C2=CC=CC=C2","QVIJHTVNOXVWJH-UHFFFAOYSA-N",392173,NA,"PDBC14538","692222","Present",NA,NA
+"14539","2-(4-Morpholinyl)-1-cyclopentene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Morpholinyl)-1-cyclopentene-1-carbonitrile",NA,"C1CC(=C(C1)N2CCOCC2)C#N","JCPZTWRNJBAUSX-UHFFFAOYSA-N",388265,NA,"PDBC14539","682879","Present",NA,NA
+"14540","2-(4-Morpholinyl)-1-phenyl-1-(2-pyridinyl)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Morpholinyl)-1-phenyl-1-(2-pyridinyl)-1-propanol",NA,"CC(C(C1=CC=CC=C1)(C2=CC=CC=N2)O)N3CCOCC3","RCUZQOAGXSJBDW-UHFFFAOYSA-N",332785,NA,"PDBC14540","331973","Present",NA,NA
+"14541","2-(4-Morpholinyl)-2,8-diazaspiro[4.5]decane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Morpholinyl)-2,8-diazaspiro[4.5]decane-1,3-dione",NA,"C1CNCCC12CC(=O)N(C2=O)N3CCOCC3","OOBCNSKISYVJKZ-UHFFFAOYSA-N",380318,NA,"PDBC14541","665797","Present",NA,NA
+"14542","2-(4-Morpholinyl)-8-(4-oxo-4-phenylbutyl)-2,8-diazaspiro[4.5]decane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Morpholinyl)-8-(4-oxo-4-phenylbutyl)-2,8-diazaspiro[4.5]decane-1,3-dione",NA,"C1CN(CCC12CC(=O)N(C2=O)N3CCOCC3)CCCC(=O)C4=CC=CC=C4","QWQCBFNAWBDUED-UHFFFAOYSA-N",380332,NA,"PDBC14542","665858","Present",NA,NA
+"14543","2-(4-Morpholinylmethyl)-3-phenylquinuclidin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Morpholinylmethyl)-3-phenylquinuclidin-3-ol",NA,"C1CN2CCC1C(C2CN3CCOCC3)(C4=CC=CC=C4)O","CCYXXYJAWASQPU-UHFFFAOYSA-N",380026,NA,"PDBC14543","665320","Present",NA,NA
+"14544","2-(4-Morpholinylmethyl)quinuclidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Azabicyclo[2.2.2]octan-3-one, 2-(4-morpholinylmethyl)-",NA,"C1CN2CCC1C(=O)C2CN3CCOCC3","IICSZVOVTPCORP-UHFFFAOYSA-N",288759,NA,"PDBC14544","150094","Present",NA,NA
+"14545","2-(4-Nitro-3H-pyridin-4-yl)ethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680483",NA,"C1C=NC=CC1(CCN)[N+](=O)[O-].Cl","XDSIHAHKLDWEBI-UHFFFAOYSA-N",387093,NA,"PDBC14545","680483","Present",NA,NA
+"14546","2-(4-Nitroanilino)benzo[f][1,3]benzothiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-d]thiazole-4,9-dione, 2-[(4-nitrophenyl) ami...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=C(C=C4)[N+](=O)[O-]","RBLIDVKXHWJBGL-UHFFFAOYSA-N",364767,NA,"PDBC14546","631526","Present",NA,NA
+"14547","2-(4-Nitroanilino)tetrahydro-2H-pyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0017992",NA,"C1C(C(C(C(O1)NC2=CC=C(C=C2)[N+](=O)[O-])O)O)O","VNKDLWYBNIBMEY-UHFFFAOYSA-N",373205,NA,"PDBC14547","649172","Present",NA,NA
+"14548","2-(4-Nitrobenzylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/GW1887500",NA,"C1CCC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C1","WKEXENOSHSPMMW-PKNBQFBNSA-N",5468452,NA,"PDBC14548","670684","Present",NA,NA
+"14549","2-(4-Nitrobenzylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DICYANO-P-NITROSTYRENE",NA,"C1=CC(=CC=C1C=C(C#N)C#N)[N+](=O)[O-]","BDTIGNGBIBFXSE-UHFFFAOYSA-N",2041,NA,"PDBC14549","98447","Present",NA,NA
+"14550","2-(4-Nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one",NA,"C1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]","ORGKRRLYUOUWIU-UHFFFAOYSA-N",393175,NA,"PDBC14550","694629","Present",NA,NA
+"14551","2-(4-Nitrophenyl)-1,3-dioxane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Nitrophenyl)-1,3-dioxane-4,6-dione",NA,"C1C(=O)OC(OC1=O)C2=CC=C(C=C2)[N+](=O)[O-]","WEFBPMUAXMHMIL-UHFFFAOYSA-N",278502,NA,"PDBC14551","128177","Present",NA,NA
+"14552","2-(4-Nitrophenyl)-1-oxido-indol-1-ium-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-nitrophenyl)-1-oxido-indol-1-ium-3-one",NA,"C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-]","XSOMQBLCXSTNTI-UHFFFAOYSA-N",361797,NA,"PDBC14552","625111","Present",NA,NA
+"14553","2-(4-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Nitrophenyl)-3-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","SYIDGJRWYFUFAK-UHFFFAOYSA-N",384569,NA,"PDBC14553","674583","Present",NA,NA
+"14554","2-(4-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Nitrophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","CFEBEKAVOLREQY-UHFFFAOYSA-N",384554,NA,"PDBC14554","674568","Present",NA,NA
+"14555","2-(4-Nitrophenyl)-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-024126",NA,"C1COC(=N1)C2=CC=C(C=C2)[N+](=O)[O-]","MPQNFLWWBYWJGE-UHFFFAOYSA-N",244028,NA,"PDBC14555","54393","Present",NA,NA
+"14556","2-(4-Nitrophenyl)-4,6-diphenyl-3H-1,2,4,5-tetrazin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Nitrophenyl)-3,5-diphenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide",NA,"C1N(N=C(N=[N+]1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","LROFUJFUMCZINC-UHFFFAOYSA-M",376149,NA,"PDBC14556","656668","Present",NA,NA
+"14557","2-(4-Nitrophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-nitrophenyl)-5-methylisothiazolo[5,4-b]pyridin-3(2H...",NA,"CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]","AXKZWVZGLCQMJV-UHFFFAOYSA-N",394797,NA,"PDBC14557","698599","Present",NA,NA
+"14558","2-(4-Nitrophenyl)-5-phenyl-isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Nitrophenyl)-5-phenyl-isothiazolo[5,4-b]pyridin-3-one",NA,"C1=CC=C(C=C1)C2=CC3=C(N=C2)SN(C3=O)C4=CC=C(C=C4)[N+](=O)[O-]","GQIRUGALFFPBHU-UHFFFAOYSA-N",395668,NA,"PDBC14558","700450","Present",NA,NA
+"14559","2-(4-Nitrophenyl)isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-nitrophenyl)isothiazolo[5,4-b]pyridin-3-(2H)-one",NA,"C1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]","FNOXOZZGUYTTPU-UHFFFAOYSA-N",393163,NA,"PDBC14559","694617","Present",NA,NA
+"14560","2-(4-Nitrophenyl)pyrido[1,2-a]benzimidazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Nitrophenyl)pyrido[1,2-a]benzimidazol-4-ol",NA,"C1=CC=C2C(=C1)N=C3N2C=C(C=C3O)C4=CC=C(C=C4)[N+](=O)[O-]","PYXDRZFBVIZYFW-UHFFFAOYSA-N",384465,NA,"PDBC14560","674267","Present",NA,NA
+"14561","2-(4-Oxo-2-phenylchromen-7-yl)oxypropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)propanoic acid",NA,"CC(C(=O)O)OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3","DSSCQSMLZSNTGR-UHFFFAOYSA-N",363676,NA,"PDBC14561","628748","Present",NA,NA
+"14562","2-(4-Oxo-3,4-dihydroquinazolin-2-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK556925",NA,"C1=CC=C2C(=C1)C(=O)NC(=N2)CC#N","VKPPRAWHRPCNBO-UHFFFAOYSA-N",135409077,NA,"PDBC14562","657591","Present",NA,NA
+"14563","2-(4-Oxo-4-phenyl-butyl)indan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Oxo-4-phenylbutyl)-1-indanone",NA,"C1C(C(=O)C2=CC=CC=C21)CCCC(=O)C3=CC=CC=C3","GKRCZYKKRCJCON-UHFFFAOYSA-N",385669,NA,"PDBC14563","677015","Present",NA,NA
+"14564","2-(4-Pentyloxyphenyl)-5-[(4-decyloxyphenyl)azo]-1,3,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(e)-(4-decoxyphenyl)-[5-(4-pentoxyphenyl)-1,3,4-thiadiazol-2-yl]diazene",NA,"CCCCCCCCCCOC1=CC=C(C=C1)N=NC2=NN=C(S2)C3=CC=C(C=C3)OCCCCC","ZJAANTKRAXMSFX-UHFFFAOYSA-N",397865,NA,"PDBC14564","706488","Present",NA,NA
+"14565","2-(4-Pentylpiperazin-1-yl)pyrimidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682068",NA,"CCCCCN1CCN(CC1)C2=NC=CC=N2.Cl","YDMYAMFRGLKNSO-UHFFFAOYSA-N",387856,NA,"PDBC14565","682068","Present",NA,NA
+"14566","2-(4-Pentynyloxy)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Pentynyloxy)pyrimidine",NA,"C#CCCCOC1=NC=CC=N1","JQGXFQNZBHARIS-UHFFFAOYSA-N",386849,NA,"PDBC14566","679583","Present",NA,NA
+"14567","2-(4-Phenoxy-benzenesulfonylimino)-imidazolidine-1-carbodith ioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Phenoxy-benzenesulfonylimino)-imidazolidine-1-carbo...",NA,"C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=S)SN4CCN5C4=NSC5=S","PEMDVGAKLROJCT-UHFFFAOYSA-N",24205512,NA,"PDBC14567","736067","Present",NA,NA
+"14568","2-(4-Phenoxybenzylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".para.-Phenoxybenzylidene-malononitrile",NA,"C1=CC=C(C=C1)OC2=CC=C(C=C2)C=C(C#N)C#N","SXRWNGUTWXJXPG-UHFFFAOYSA-N",370254,NA,"PDBC14568","643028","Present",NA,NA
+"14569","2-(4-Phenoxyphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Phenoxyphenyl)-5-phenylisothiazolo[5,4-b]pyridin-3(2H)-one",NA,"C1=CC=C(C=C1)C2=CC3=C(N=C2)SN(C3=O)C4=CC=C(C=C4)OC5=CC=CC=C5","UIKMXJFMSVNXOX-UHFFFAOYSA-N",395669,NA,"PDBC14569","700451","Present",NA,NA
+"14570","2-(4-Phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,"C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(S3(=O)=O)N=CC=C4","QWAKAYWWRRVGAU-UHFFFAOYSA-N",395670,NA,"PDBC14570","700452","Present",NA,NA
+"14571","2-(4-Phenyl-1H-1,2,3-triazol-1-yl)-N,N-divinylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Phenyl-1H-1,2,3-triazol-1-yl)-N,N-divinylacetamide",NA,"C=CN(C=C)C(=O)CN1C=C(N=N1)C2=CC=CC=C2","UMGHLTRMYAOFRP-UHFFFAOYSA-N",386628,NA,"PDBC14571","679082","Present",NA,NA
+"14572","2-(4-Phenylmethoxyphenyl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MNSDWKQEXPQMMM-UHFFFAOYSA-N",NA,"CCC(C1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)O","MNSDWKQEXPQMMM-UHFFFAOYSA-N",357760,NA,"PDBC14572","617283","Present",NA,NA
+"14573","2-(4-Phenylphenyl)benzo[g]quinoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIDD:GT0577",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC5=CC=CC=C5C=C4C(=C3)C(=O)O","UKUYQFXKQFWUJO-UHFFFAOYSA-N",282667,NA,"PDBC14573","136469","Present",NA,NA
+"14574","2-(4-Phenylpiperazinoacetylamino)-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Phenylpiperazinoacetylamino)-4-thiazolecarboxylic acid ethyl ester",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCN(CC2)C3=CC=CC=C3","OSKXSVCZACBSQU-UHFFFAOYSA-N",396825,NA,"PDBC14574","703829","Present",NA,NA
+"14575","2-(4-Phenylpiperazinyl),4-dimethoxybenzoyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-phenylpiperazinyl),3-(3,4-dimethoxybenzoyl)quinoxaline",NA,"COC1=C(C=C(C=C1)C(=O)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5)OC","HDSMOJWPCOMYLP-UHFFFAOYSA-N",405316,NA,"PDBC14575","722509","Present",NA,NA
+"14576","2-(4-Phenylpiperazinyl)-3-benzoyl-7-trifluoromethylquinoxali ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-phenylpiperazinyl)-3-benzoyl-7-trifluoromethylquino...",NA,"C1CN(CCN1C2=CC=CC=C2)C3=NC4=C(C=CC(=C4)C(F)(F)F)N=C3C(=O)C5=CC=CC=C5","WNEPEWYXNDDMTC-UHFFFAOYSA-N",405858,NA,"PDBC14576","723539","Present",NA,NA
+"14577","2-(4-Phenylsulfanyl-benzyl)-1H-naphth[2,3-d]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-phenylsulfanyl-benzyl)-1H-naphth[2,3-d]imidazole",NA,"C1=CC=C(C=C1)SC2=CC=C(C=C2)CC3=NC4=CC5=CC=CC=C5C=C4N3","HFSRSFGELVZLQI-UHFFFAOYSA-N",406459,NA,"PDBC14577","724550","Present",NA,NA
+"14578","2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Pyridinyl)ethyl imidothiocarbamate methanesulfonate",NA,"CS(=O)(=O)O.C1=CN=CC=C1CCSC(=N)N","KUROWSCNDZZTCV-UHFFFAOYSA-N",498054,NA,"PDBC14578","45870","Present",NA,NA
+"14579","2-(4-Quinolinylmethylene)malonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Quinolinylmethylene)malonic acid",NA,"C1=CC=C2C(=C1)C(=CC=N2)C=C(C(=O)O)C(=O)O","BVDUPWLRSFKSED-UHFFFAOYSA-N",288912,NA,"PDBC14579","150277","Present",NA,NA
+"14580","2-(4-Quinolylmethyl)isoquinolinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-QUINOLYLMETHYL)ISOQUINOLINIUM IODIDE",NA,"C1=CC=C2C=[N+](C=CC2=C1)CC3=CC=NC4=CC=CC=C34.[I-]","QGJNITKCTSHVSP-UHFFFAOYSA-M",5351607,NA,"PDBC14580","2518","Present",NA,NA
+"14581","2-(4-Tert-Butylphenoxy)oxetane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Tert-Butylphenoxy)oxetane",NA,"CC(C)(C)C1=CC=C(C=C1)OC2CCO2","OZPRZJSSPTVHAB-UHFFFAOYSA-N",366913,NA,"PDBC14581","635975","Present",NA,NA
+"14582","2-(4-Tert-butylphenyl)-6-chloro-3,1-benzoxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Tert-butylphenyl)-6-chloro-3,1-benzoxazin-4-one",NA,"CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)O2","PSSWQSOFGQZCMD-UHFFFAOYSA-N",385600,NA,"PDBC14582","676897","Present",NA,NA
+"14583","2-(4-Tert-butylphenyl)-6-methyl-3,1-benzoxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Tert-butylphenyl)-6-methyl-3,1-benzoxazin-4-one",NA,"CC1=CC2=C(C=C1)N=C(OC2=O)C3=CC=C(C=C3)C(C)(C)C","ABZNXVRZPNSZMJ-UHFFFAOYSA-N",385598,NA,"PDBC14583","676895","Present",NA,NA
+"14584","2-(4-Tert-butylphenyl)-8-methoxy-3,1-benzoxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Tert-butylphenyl)-8-methoxy-3,1-benzoxazin-4-one",NA,"CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=CC=C3OC)C(=O)O2","BHKIGUCSAYVZDR-UHFFFAOYSA-N",385602,NA,"PDBC14584","676899","Present",NA,NA
+"14585","2-(4-Toluidino)-7H-pyrrolo[2,3-d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Toluidino)-7H-pyrrolo[2,3-d]pyrimidin-4-ol",NA,"CC1=CC=C(C=C1)NC2=NC3=C(C=CN3)C(=O)N2","WSKWDAYGTDAGEA-UHFFFAOYSA-N",135489824,NA,"PDBC14585","681693","Present",NA,NA
+"14586","2-(4-Trifluoromethoxy-benzenesulfonylimino)-imidazolidin...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Trifluoromethoxy-benzenesulfonylimino)-imidazolidin...",NA,"C1CN(C(=N1)NS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F)C(=S)SN3CCN4C3=NSC4=S","WXZKRRQPTAOTBE-UHFFFAOYSA-N",24205510,NA,"PDBC14586","736065","Present",NA,NA
+"14587","2-(4-Trifluoromethyl-benzyl)-1H-naphth[2,3-d]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-trifluoromethyl-benzyl)-1H-naphth[2,3-d]imidazole",NA,"C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC=C(C=C4)C(F)(F)F","ZANNGVLYTWCJAM-UHFFFAOYSA-N",405628,NA,"PDBC14587","722998","Present",NA,NA
+"14588","2-(4-amino-3-mehtylphenyl)-7-fluorobenzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-amino-3-mehtylphenyl)-7-fluorobenzothiazole",NA,"CC1=C(C=CC(=C1)C2=NC3=C(S2)C(=CC=C3)F)N","HNTKIXWEQUTXMD-UHFFFAOYSA-N",400167,NA,"PDBC14588","711670","Present",NA,NA
+"14589","2-(4-amino-3-methylphenyl)-5,6-difluorobenzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-amino-3-methylphenyl)-5,6-difluorobenzothiazole",NA,"CC1=C(C=CC(=C1)C2=NC3=CC(=C(C=C3S2)F)F)N","OFVYPGBTHKOFPS-UHFFFAOYSA-N",400168,NA,"PDBC14589","711671","Present",NA,NA
+"14590","2-(4-benzamido-2-oxo-pyrimidin-1-yl)ethyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-benzamido-2-oxo-pyrimidin-1-yl)ethyl benzoate",NA,"C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CCOC(=O)C3=CC=CC=C3","BLTYESBKWJILPB-UHFFFAOYSA-N",367644,NA,"PDBC14590","637522","Present",NA,NA
+"14591","2-(4-{4-(2-Benzoyl-4-chlorophenoxy)butyl]hexahydro-1-pyrazin yl}butoxy)-5-chlorophenyl methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-{4-(2-Benzoyl-4-chlorophenoxy)butyl]hexahydro-1-pyr...",NA,"C1CN(CCN1CCCCOC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)CCCCOC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5","DVHCBBCKGXWFGM-UHFFFAOYSA-N",24205564,NA,"PDBC14591","736167","Present",NA,NA
+"14592","2-(5,11-Dimethylpyrido[4,3-b]carbazol-6-yl)ethyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazole-6-ethanol, 5,11-dimethyl, benz...",NA,"CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCOC(=O)C5=CC=CC=C5)C","PPANGFXMJDUHNG-UHFFFAOYSA-N",294609,NA,"PDBC14592","163443","Present",NA,NA
+"14593","2-(5,2-Dihydro-quinoline-8-yl)-3-isobutylamino-but-2-enoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5,6-Dihydroxy-4-methyl-2-oxo-1,2-dihydro-quinoline-8-...",NA,"CCOC(=O)C(=C(C)NCC(C)C)C1=CC(=C(C2=C1NC(=O)C=C2C)O)O","IRDFLHRAKNXOOX-ATVHPVEESA-N",45028123,NA,"PDBC14593","741203","Present",NA,NA
+"14594","2-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)naphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)naphthalen-1-ol",NA,"CC1(CN=C(N1)C2=C(C3=CC=CC=C3C=C2)O)C","OBZPVHMPXUURJN-UHFFFAOYSA-N",395638,NA,"PDBC14594","700420","Present",NA,NA
+"14595","2-(5,5-Dimethyl-2-undecyl-4H-imidazol-3-yl)-2-methylpropan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,4-Dimethyl-2-undecyl-4,5-dihydro-1h-imidazol-1-yl)-2-methylpropan-1-ol",NA,"CCCCCCCCCCCC1=NC(CN1C(C)(C)CO)(C)C","BBSALHCDRCTCBV-UHFFFAOYSA-N",226868,NA,"PDBC14595","17761","Present",NA,NA
+"14596","2-(5,5-Dimethyl-2-undecyl-4H-imidazol-3-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,4-Dimethyl-2-undecyl-4,5-dihydro-1h-imidazol-1-yl)ethanol",NA,"CCCCCCCCCCCC1=NC(CN1CCO)(C)C","YOVZSVQYSGKERM-UHFFFAOYSA-N",226863,NA,"PDBC14596","17753","Present",NA,NA
+"14597","2-(5,6,7,8-Tetrahydro-2-naphthalenylmethyl)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5,6,7,8-Tetrahydro-2-naphthalenylmethyl)-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-1-one",NA,"C1CCC2=C(C1)C=CC(=C2)CC3CC4=C(C3=O)C5=C(CCCC5)C=C4","NSUADTNWTVTKHX-UHFFFAOYSA-N",384720,NA,"PDBC14597","674956","Present",NA,NA
+"14598","2-(5,6,8,9,11,12-Hexahydro-7,10-dioxa-1,3,4,13-tetrathia-cyclopentacyclododecen-2-ylidene)-5,6,8,9,11,12-hexahydro-7,10-dioxa-1,3,4,13-tetrathia-cyclopentacyclododecene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5,6,8,9,11,12-Hexahydro-7,10-dioxa-1,3,4,13-tetrathia-cyclopentacyclododecen-2-ylidene)-5,6,8,9,11,12-hexahydro-7,10-dioxa-1,3,4,13-tetrathia-cyclopentacyclododecene",NA,"C1COCCSC2=C(SCCO1)SC(=C3SC4=C(S3)SCCOCCOCCS4)S2","IOVSPCFLQBQDEY-UHFFFAOYSA-N",370652,NA,"PDBC14598","644014","Present",NA,NA
+"14599","2-(5,6-Dimethylbenzimidazol-1-yl)acetic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC163160",NA,"CC1=CC2=C(C=C1C)N(C=N2)CC(=O)O.Cl","JOAXRJJIZQTASK-UHFFFAOYSA-N",24194100,NA,"PDBC14599","163160","Present",NA,NA
+"14600","2-(5,7-Dihydroxy-4-oxo-2,3-dihydrochromen-2-yl)-5-methoxycyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Benzoquinone, 2-(5,7-dihydroxy-4-oxo-2-chromanyl)- 5-m...",NA,"COC1=CC(=O)C(=CC1=O)C2CC(=O)C3=C(C=C(C=C3O2)O)O","LALMIDHSHXJNPR-UHFFFAOYSA-N",297961,NA,"PDBC14600","169517","Present",NA,NA
+"14601","2-(5,7-Trimethoxyindol-2-carbonyl)amino-4H-pyrazolo[1,5-a] indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5,6,7-Trimethoxyindol-2-carbonyl)amino-4H-pyrazolo[1,...",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NC3=NN4C(=C3)CC5=CC=CC=C54)OC)OC","QIZWXQYRUHNGOD-UHFFFAOYSA-N",404173,NA,"PDBC14601","720326","Present",NA,NA
+"14602","2-(5,8-Dimethoxy-2-naphthyl)-2-methyl-1,3-dithiane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5,8-Dimethoxy-2-naphthyl)-2-methyl-1,3-dithiane",NA,"CC1(SCCCS1)C2=CC3=C(C=CC(=C3C=C2)OC)OC","UDYBWSTUELEMKR-UHFFFAOYSA-N",363962,NA,"PDBC14602","629499","Present",NA,NA
+"14603","2-(5,8-Dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5,8-Dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetonitrile",NA,"C1=C2C=C(C=C3C2=C(C=C1[N+](=O)[O-])C(=O)N(C3=O)CC#N)[N+](=O)[O-]","CHVJOXFYZZUEJR-UHFFFAOYSA-N",357364,NA,"PDBC14603","615798","Present",NA,NA
+"14604","2-(5-((1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)methyl)-2,2-dimethyl-4,6-dioxocyclohexyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-[(1,3-Dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-oxoacetamide",NA,"CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C3C(=O)C(C(=O)CC3(C)C)CC4C(=O)C5=CC=CC=C5C4=O","OYGYPFGJGQWDBF-UHFFFAOYSA-N",373473,NA,"PDBC14604","649828","Present",NA,NA
+"14605","2-(5-((1,3-Dioxo-2,3-dihydro-1H-inden-2-yl)methyl)-2,2-dimethyl-4,6-dioxocyclohexyl)-N-(7-hydroxy-1-naphthyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-[(1,3-Dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-N-(7-hydroxynaphthalen-1-yl)-2-oxoacetamide",NA,"CC1(CC(=O)C(C(=O)C1C(=O)C(=O)NC2=CC=CC3=C2C=C(C=C3)O)CC4C(=O)C5=CC=CC=C5C4=O)C","KBLDJIBQZZQFFC-UHFFFAOYSA-N",373374,NA,"PDBC14605","649587","Present",NA,NA
+"14606","2-(5-(1,3-Benzoxazol-2-yl)bicyclo[4.2.0]octa-1,3,5-trien-2-yl)-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-(1,3-Benzoxazol-2-yl)bicyclo[4.2.0]octa-1,3,5-trien-2-yl)-1,3-benzoxazole",NA,"C1CC2=C(C=CC(=C21)C3=NC4=CC=CC=C4O3)C5=NC6=CC=CC=C6O5","POJGLWGZDKBSFN-UHFFFAOYSA-N",381852,NA,"PDBC14606","669019","Present",NA,NA
+"14607","2-(5-(1-(2-Hydroxyethyl)-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)hexahydroimidazo[1,2-a]pyridin-1(5H)-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-[1-(2-Hydroxyethyl)-3,7,8,8a-tetrahydro-2H-imidazo[1,2-a]pyridin-6-yl]-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,2-a]pyridin-1-yl]ethanol",NA,"C1CC(N2CCN(C2C1)CCO)C3=CN4CCN(C4CC3)CCO","OFZQXONCTBCYNS-UHFFFAOYSA-N",370999,NA,"PDBC14607","644860","Present",NA,NA
+"14608","2-(5-(2,3-Bis(4-methoxyphenyl)-3-oxopropyl)-2,2-dimethyl-4,6-dioxocyclohexyl)-N-(2,6-dimethylphenyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-[2,3-Bis(4-methoxyphenyl)-3-oxopropyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-N-(2,6-dimethylphenyl)-2-oxoacetamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)C2C(=O)C(C(=O)CC2(C)C)CC(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC","NKWMHORWBJWYDH-UHFFFAOYSA-N",373447,NA,"PDBC14608","649805","Present",NA,NA
+"14609","2-(5-(2,4-Dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-1-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-(2,4-Dichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl)-1-naphthol",NA,"C1C(NN=C1C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)Cl)Cl","PNJUUUNRFPGTPO-UHFFFAOYSA-N",390442,NA,"PDBC14609","687796","Present",NA,NA
+"14610","2-(5-(2-(Acetyloxy)phenyl)-3-oxo-1,4-pentadienyl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-(2-(Acetyloxy)phenyl)-3-oxo-1,4-pentadienyl)phenyl acetate",NA,"CC(=O)OC1=CC=CC=C1C=CC(=O)C=CC2=CC=CC=C2OC(=O)C","RNHOOXNUFNRJSM-PHEQNACWSA-N",5468558,NA,"PDBC14610","671636","Present",NA,NA
+"14611","2-(5-(2-Thienyl)-4,5-dihydro-1H-pyrazol-3-yl)-1-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-(2-Thienyl)-4,5-dihydro-1H-pyrazol-3-yl)-1-naphthol",NA,"C1C(NN=C1C2=C(C3=CC=CC=C3C=C2)O)C4=CC=CS4","XNSWBQYSQAMHSO-UHFFFAOYSA-N",390444,NA,"PDBC14611","687798","Present",NA,NA
+"14612","2-(5-(4-Chlorophenyl)-1-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-(4-Chlorophenyl)-1-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine",NA,"C1CNC(=NC1)C2=C(N(N=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","IDIAXXAXUKPKOX-UHFFFAOYSA-N",371089,NA,"PDBC14612","645035","Present",NA,NA
+"14613","2-(5-(4-Chlorophenyl)-3-mesityl-4-isoxazolyl)-1,4,5,6-tetrahydropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4,6-Trimethylphenyl)-4-(2-tetrahydropyrimidinyl)-5-...",NA,"CC1=CC(=C(C(=C1)C)C2=NOC(=C2C3=NCCCN3)C4=CC=C(C=C4)Cl)C","WCKQWRNVXAPROL-UHFFFAOYSA-N",371105,NA,"PDBC14613","645052","Present",NA,NA
+"14614","2-(5-(4-Methoxyphenyl)-1-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-(4-Methoxyphenyl)-1-phenyl-1H-1,2,3-triazol-4-yl)-1,4,5,6-tetrahydropyrimidine",NA,"COC1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)C4=NCCCN4","NDTROCNAKYGXFT-UHFFFAOYSA-N",371088,NA,"PDBC14614","645034","Present",NA,NA
+"14615","2-(5-(Benzyloxy)-1H-indol-3-yl)-5-imino-2,5-dihydro-3,4-furandiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-(Benzyloxy)-1H-indol-3-yl)-5-imino-2,5-dihydro-3,4-furandiol",NA,"C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3C4C(=O)C(=C(O4)N)O","SOQBQROVZZERKD-UHFFFAOYSA-N",340877,NA,"PDBC14615","372074","Present",NA,NA
+"14616","2-(5-(Hydroxy(oxido)amino)-2-methylanilino)-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-(Hydroxy(oxido)amino)-2-methylanilino)-4,5-dihydro-1,3-oxazole",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC2=NCCO2","RBLAYVPQOSLLDC-UHFFFAOYSA-N",379842,NA,"PDBC14616","664974","Present",NA,NA
+"14617","2-(5-(Phenylsulfonyl)-4,5-dihydro-3-isoxazolyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-(Phenylsulfonyl)-4,5-dihydro-3-isoxazolyl)-1H-benzimidazole",NA,"C1C(ON=C1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4","RDKXKORHCNFKAX-UHFFFAOYSA-N",392769,NA,"PDBC14617","693593","Present",NA,NA
+"14618","2-(5-Acetyl-3-cyano-6-methyl-1H-pyridin-2-ylidene)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Acetyl-3-cyano-6-methyl-1H-pyridin-2-ylidene)propanedinitrile",NA,"CC1=NC(=C(C#N)C#N)C(=CC1=C(C)O)C#N","RBEOYHOPAUNJLV-FLIBITNWSA-N",135467695,NA,"PDBC14618","680308","Present",NA,NA
+"14619","2-(5-Amino-1,3,4-oxadiazol-2-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Amino-1,3,4-oxadiazol-2-yl)acetonitrile",NA,"C(C#N)C1=NN=C(O1)N","DTXFXKMIEUOGLZ-UHFFFAOYSA-N",358745,NA,"PDBC14619","618809","Present",NA,NA
+"14620","2-(5-Amino-1,3-benzoxazol-2-yl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Amino-1,3-benzoxazol-2-yl)guanidine",NA,"C1=CC2=C(C=C1N)N=C(O2)N=C(N)N","YVZQRFOWBMPPCV-UHFFFAOYSA-N",358484,NA,"PDBC14620","618492","Present",NA,NA
+"14621","2-(5-Amino-1-benzyl-1H-imidazol-4-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Amino-1-benzyl-1H-imidazol-4-yl)-2-oxoacetamide",NA,"C1=CC=C(C=C1)CN2C=NC(=C2N)C(=O)C(=O)N","ZLNJQLQUHPPMFG-UHFFFAOYSA-N",382612,NA,"PDBC14621","670253","Present",NA,NA
+"14622","2-(5-Amino-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Amino-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole",NA,"CC1=CSC(=N1)C2=CN(C3=C2C(=O)C(=CC3=O)N)C","INIMYFRKXZWMNQ-UHFFFAOYSA-N",392620,NA,"PDBC14622","693179","Present",NA,NA
+"14623","2-(5-Amino-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-N,N-dipropylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Amino-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-N,N-dipropylacetamide",NA,"CCCN(CCC)C(=O)C(=O)C1=C(NN(C1=O)C2=CC=CC=C2)N","TUSNNKPLPFHYMI-UHFFFAOYSA-N",360427,NA,"PDBC14623","622563","Present",NA,NA
+"14624","2-(5-Amino-4-cyano-1,3-oxazol-2-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Amino-4-cyano-1,3-oxazol-2-yl)benzoic acid",NA,"C1=CC=C(C(=C1)C2=NC(=C(O2)N)C#N)C(=O)O","KURNYXGBEWVEEB-UHFFFAOYSA-N",389098,NA,"PDBC14624","684783","Present",NA,NA
+"14625","2-(5-Amino-4-cyano-2-oxo-1H-pyrrol-3-ylidene)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Amino-4-cyano-2-oxo-1H-pyrrol-3-ylidene)propanedinitrile",NA,"C(#N)C1=C(NC(=O)C1=C(C#N)C#N)N","XZUAYNMTFLSFLP-UHFFFAOYSA-N",394325,NA,"PDBC14625","697694","Present",NA,NA
+"14626","2-(5-Anilino-1,3,4-thiadiazol-2-yl)-3H-benzo[f]chromen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Anilino-1,3,4-thiadiazol-2-yl)benzo[f]chromen-3-one",NA,"C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O","QDBYPRRKRSQQLO-UHFFFAOYSA-N",399116,NA,"PDBC14626","709535","Present",NA,NA
+"14627","2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(3-phenoxyphenyl)methylideneamino]benzamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)NN=CC5=CC(=CC=C5)OC6=CC=CC=C6","URDPBUHNCGFICD-KZEIVMGFSA-N",135436248,NA,"PDBC14627","716128","Present",NA,NA
+"14628","2-(5-Benzyl-3-cyano-4,5-dimethyl-2-furylidene)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Benzyl-3-cyano-4,5-dimethyl-2-furylidene)propanedinitrile",NA,"CC1=C(C(=C(C#N)C#N)OC1(C)CC2=CC=CC=C2)C#N","QOGIOQFWVPQUKS-UHFFFAOYSA-N",389746,NA,"PDBC14628","686343","Present",NA,NA
+"14629","2-(5-Benzyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-m-tolyl-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Benzyl-[1,3,4]oxadiazol-2-ylsulfanyl)-N-m-tolyl-acetamide",NA,"CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","GWVDOPHTEFABPT-UHFFFAOYSA-N",375284,NA,"PDBC14629","654801","Present",NA,NA
+"14630","2-(5-Bromo-1H-indol-3-yl)-4-(1-methylpyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-bromo-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-...",NA,"CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","HPIUWKAKIDVNHN-UHFFFAOYSA-N",155809387,NA,"PDBC14630","801593","Present",NA,NA
+"14631","2-(5-Bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)-1,3-thiazole",NA,"C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","LUGFTPDIVFLZIW-UHFFFAOYSA-N",397546,NA,"PDBC14631","705866","Present",NA,NA
+"14632","2-(5-Bromo-1H-indol-3-yl)-4-(6-bromo-1H-indol-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Bromo-1H-indol-3-yl)-4-(6-bromo-1H-indol-3-yl)-1,3-thiazole",NA,"C1=CC2=C(C=C1Br)NC=C2C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","OODMECCQRIFICR-UHFFFAOYSA-N",397549,NA,"PDBC14632","705869","Present",NA,NA
+"14633","2-(5-Bromo-1H-indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Bromo-1H-indol-3-yl)-4-(6-methoxy-1H-indol-3-yl)-1,3-thiazole",NA,"COC1=CC2=C(C=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","ZINIWQCGXMQQSK-UHFFFAOYSA-N",397552,NA,"PDBC14633","705872","Present",NA,NA
+"14634","2-(5-Bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-bromo-1H-indol-3-yl)-1,3-thiazol-4-yl]-7-chloro-...",NA,"C1=CC2=C(C=C1Br)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=CN=C5Cl","VGIVNEAHPDYLCJ-UHFFFAOYSA-N",155815650,NA,"PDBC14634","781805","Present",NA,NA
+"14635","2-(5-Bromo-2-chloropyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)ethanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Bromo-2-chloropyrimidin-4-yl)(1-methyl-1h-benzimidazol-2-yl)acetonitrile",NA,"CN1C2=CC=CC=C2N=C1C(C#N)C3=NC(=NC=C3Br)Cl","WCDBCRJFWNTRSV-UHFFFAOYSA-N",395222,NA,"PDBC14635","699697","Present",NA,NA
+"14636","2-(5-Bromo-2-pyridylazo)-5-dimethylaminophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-((5-bromopyridin-2-yl)diazenyl)-5-(dimethylamino)p...",NA,"CN(C)C1=CC(=C(C=C1)N=NC2=NC=C(C=C2)Br)O","LNIGBQNXJNNICD-UHFFFAOYSA-N",135552954,NA,"PDBC14636","794457","Present",NA,NA
+"14637","2-(5-Bromo-6-formyl-3-methyl-2,4-dioxopyrimidin-1-yl)ethyl nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Bromo-6-formyl-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)ethyl nitrate",NA,"CN1C(=O)C(=C(N(C1=O)CCO[N+](=O)[O-])C=O)Br","PAQINCGATKGYNM-UHFFFAOYSA-N",383812,NA,"PDBC14637","672424","Present",NA,NA
+"14638","2-(5-Bromopentyl)cyclododecanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Bromopentyl)cyclododecanone",NA,"C1CCCCCC(=O)C(CCCC1)CCCCCBr","YQMZWDQGZBYMIH-UHFFFAOYSA-N",380713,NA,"PDBC14638","666419","Present",NA,NA
+"14639","2-(5-Bromothien-2-ylsulfonyl)-6-chloro-7-cyano-1,3-dihydro-1,4,2-benzodithiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Bromothien-2-ylsulfonyl)-6-chloro-7-cyano-1,1-dioxo...",NA,"C1=CC=C(C=C1)N=C2N(S(=O)(=O)C3=C(S2)C=C(C(=C3)C#N)Cl)S(=O)(=O)C4=CC=C(S4)Br","OGOWSPNXDAWXCW-UHFFFAOYSA-N",24205033,NA,"PDBC14639","734037","Present",NA,NA
+"14640","2-(5-Bromothiophene-2-sulfonyl)-6-chloro-2-(4-chlorophenylim ino)-7-methyl-1,3-dihydro-1,4,2-benzodithiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Bromothiophene-2-sulfonyl)-6-chloro-2-(4-chlorophen...",NA,"CC1=CC2=C(C=C1Cl)SC(=NC3=CC=C(C=C3)Cl)N(S2(=O)=O)S(=O)(=O)C4=CC=C(S4)Br","MDWFQQLMNFUWFY-UHFFFAOYSA-N",24204335,NA,"PDBC14640","731393","Present",NA,NA
+"14641","2-(5-Bromouracil)-4'-phenylacetophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Bromouracil)-4'-phenylacetophenone",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C=C(C(=O)NC3=O)Br","DWCQDZKZJRKCFX-UHFFFAOYSA-N",386636,NA,"PDBC14641","679091","Present",NA,NA
+"14642","2-(5-Butyl-3-pentyl-2-thienyl)furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Butyl-3-pentyl-2-thienyl)furan",NA,"CCCCCC1=C(SC(=C1)CCCC)C2=CC=CO2","GVBPHJDVTRIEAQ-UHFFFAOYSA-N",377737,NA,"PDBC14642","659329","Present",NA,NA
+"14643","2-(5-Butyl-4-imino-1-phenyl-pyrazolo[3,4-d]pyrimidin-3-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4z)-5-Butyl-4-imino-1-phenyl-4,5-dihydro-1h-pyrazolo[3,4-d]pyrimidin-3-yl]acetonitrile",NA,"CCCCN1C=NC2=C(C1=N)C(=NN2C3=CC=CC=C3)CC#N","STZJKQMYVJOMDY-UHFFFAOYSA-N",230942,NA,"PDBC14643","26382","Present",NA,NA
+"14644","2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyridine-3-carboxamide",NA,"COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC(=C(C(=C3)OC)OC)OC","LSGGFMVHIWSKLA-XKJRVUDJSA-N",45029125,NA,"PDBC14644","745484","Present",NA,NA
+"14645","2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methoxyanilino)-6-(trifluoromethyl)pyridine-3-carbohydrazide",NA,"COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN","FKILIECJPZJYGK-UHFFFAOYSA-N",45028722,NA,"PDBC14645","743910","Present",NA,NA
+"14646","2-(5-Chloro-2-methoxyanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=C(C=CC=C3Cl)Cl","XUXNWAYEERAMQV-ORBVJSQLSA-N",45028829,NA,"PDBC14646","744607","Present",NA,NA
+"14647","2-(5-Chloro-2-methoxyanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=CC=C3Cl","ILCWQQJLMYDUBJ-LUOAPIJWSA-N",45028723,NA,"PDBC14647","743911","Present",NA,NA
+"14648","2-(5-Chloro-2-methoxyanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(4-chlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)Cl","FYPWBCJERZWMLB-LUOAPIJWSA-N",45028830,NA,"PDBC14648","744608","Present",NA,NA
+"14649","2-(5-Chloro-2-methoxyanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methoxyanilino)-N-[(E)-(4-nitrophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","YLUGDBWUYWDSFI-KBKYJPHKSA-N",45028724,NA,"PDBC14649","743912","Present",NA,NA
+"14650","2-(5-Chloro-2-methoxyanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methoxyanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"COC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CN=CC=C3","UGHWFIPAWYKDKG-KBKYJPHKSA-N",45028726,NA,"PDBC14650","743914","Present",NA,NA
+"14651","2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide",NA,"CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C(=C3)OC)OC)OC","PATVTQBKZZSIBN-UHFFFAOYSA-N",24882415,NA,"PDBC14651","740051","Present",NA,NA
+"14652","2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide",NA,"CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC=CC(=C3)C(F)(F)F","UYNPXECETRBSLI-UHFFFAOYSA-N",24205867,NA,"PDBC14652","737049","Present",NA,NA
+"14653","2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N","ZQDOAXCERUPUFD-UHFFFAOYSA-N",24204601,NA,"PDBC14653","732287","Present",NA,NA
+"14654","2-(5-Chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=C(C=CC=C3Cl)Cl","WNRVYWQARUSYHJ-ORBVJSQLSA-N",46227829,NA,"PDBC14654","747199","Present",NA,NA
+"14655","2-(5-Chloro-2-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Chloro-2-methylanilino)-N-[(E)-pyridin-3-ylmethylideneamino]-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CN=CC=C3","ZZTIQJCZOPGNFV-KBKYJPHKSA-N",45028727,NA,"PDBC14655","743915","Present",NA,NA
+"14656","2-(5-Chloro-8-hydroxy-1,4-dioxonaphthalen-2-yl)sulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Chloro-8-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)sulfanyl]propanoic acid",NA,"CC(C(=O)O)SC1=CC(=O)C2=C(C=CC(=C2C1=O)O)Cl","HFVPFHIMWZJVRA-UHFFFAOYSA-N",360626,NA,"PDBC14656","622931","Present",NA,NA
+"14657","2-(5-Ethoxy-1-methylindol-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Ethoxy-1-methyl-1h-indol-3-yl)acetic acid",NA,"CCOC1=CC2=C(C=C1)N(C=C2CC(=O)O)C","AAAVOJOKSKRJIV-UHFFFAOYSA-N",271557,NA,"PDBC14657","115148","Present",NA,NA
+"14658","2-(5-Ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamimidothioate;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Ethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethyl carbamimidothioate;hydrobromide",NA,"CCC1(C(=O)NC(=O)NC1=O)CCSC(=N)N.Br","LZPGUALNGZSCPY-UHFFFAOYSA-N",5351614,NA,"PDBC14658","3737","Present",NA,NA
+"14659","2-(5-Ethyl-2-hydroxy-1H-indol-3-yl)indol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Ethyl-2-hydroxy-1H-indol-3-yl)indol-3-one",NA,"CCC1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O","ZLCKEXXQMNVOOF-UHFFFAOYSA-N",403173,NA,"PDBC14659","717826","Present",NA,NA
+"14660","2-(5-Fluoro-1-methylindol-3-yl)-6-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-1-methyl-3-[6-(thiophen-2-yl)imidazo[2,1-b][1,3...",NA,"CN1C=C(C2=C1C=CC(=C2)F)C3=NN4C=C(N=C4S3)C5=CC=CS5","FDTORYITBNUOFW-UHFFFAOYSA-N",155812485,NA,"PDBC14660","801609","Present",NA,NA
+"14661","2-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-6-methyl-3-oxo-3,6-dihydro-2H-pyran-4-yl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-(3-O-benzoyl-4,6-didexy-.beta.-L-glycero-hex-...",NA,"CC1C=C(C(=O)C(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C3=CC=CC=C3","HTDAJLUMYZCQFP-UHFFFAOYSA-N",363615,NA,"PDBC14661","628628","Present",NA,NA
+"14662","2-(5-Heptyl-2-thienyl)-5-[(4-pentyloxyphenyl)azo]-1,3,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(e)-[5-(5-heptyl-2-thienyl)-1,3,4-thiadiazol-2-yl]-(4-pentoxyphenyl)diazene",NA,"CCCCCCCC1=CC=C(S1)C2=NN=C(S2)N=NC3=CC=C(C=C3)OCCCCC","WETHFKBRBUWWDA-UHFFFAOYSA-N",397866,NA,"PDBC14662","706489","Present",NA,NA
+"14663","2-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-4-methylthiazole",NA,"CC1=CSC(=N1)C2=CN(C3=C2C(=O)C(=CC3=O)OC)C","XAOBFMXDNXHENE-UHFFFAOYSA-N",392619,NA,"PDBC14663","693178","Present",NA,NA
+"14664","2-(5-Methoxy-1H-indol-3-yl)-2-oxo-N,N-di(2-propynyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Methoxy-1H-indol-3-yl)-2-oxo-N,N-di(2-propynyl)acetamide",NA,"COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)N(CC#C)CC#C","LNZRYGXFRSNOFT-UHFFFAOYSA-N",379848,NA,"PDBC14664","664980","Present",NA,NA
+"14665","2-(5-Methoxy-1H-indol-3-yl)-4-(1-methylpyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methy...",NA,"CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)OC","OLWBPLIPPQKYOF-UHFFFAOYSA-N",155815586,NA,"PDBC14665","801589","Present",NA,NA
+"14666","2-(5-Methoxy-1H-indol-3-yl)-4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-methoxy-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrr...",NA,"COC1=CC2=C(C=C1)NC=C2C3=NC(=CS3)C4=CNC5=C4C=NC=C5","GQYQNRCMKMJCHS-UHFFFAOYSA-N",155817123,NA,"PDBC14666","801588","Present",NA,NA
+"14667","2-(5-Methoxy-3-methylidenepentyl)-7-methylidenecycloheptan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Methoxy-3-methylene-pentyl)-7-methylene-cycloheptan-1-one",NA,"COCCC(=C)CCC1CCCCC(=C)C1=O","QSKMJCZCFIEPHA-UHFFFAOYSA-N",393399,NA,"PDBC14667","695232","Present",NA,NA
+"14668","2-(5-Methoxyfuran-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Methoxyfuran-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid",NA,"COC1=CC=C(O1)C(=O)N2CCC3=C(C2C(=O)O)NC4=CC=CC=C34","GJCQLCYPRIGZBX-UHFFFAOYSA-N",372328,NA,"PDBC14668","647386","Present",NA,NA
+"14669","2-(5-Methyl-1-phenylpyrrol-2-yl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Methyl-1-phenylpyrrol-2-yl)naphthalene-1,4-dione",NA,"CC1=CC=C(N1C2=CC=CC=C2)C3=CC(=O)C4=CC=CC=C4C3=O","IZOQJBJKRPHTKY-UHFFFAOYSA-N",358201,NA,"PDBC14669","618087","Present",NA,NA
+"14670","2-(5-Methyl-3-phenyl-2-thioxo-2,3-dihydro-thiazolo[4,5-d]pyrimidin-7-ylsulfanyl)-N-phenyl-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Methyl-3-phenyl-2-thioxo-2,3-dihydro-thiazolo[4,5-d]pyrimidin-7-ylsulfanyl)-N-phenyl-acetamide",NA,"CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=CC=C3)SC(=S)N2C4=CC=CC=C4","IGQGBPZIWJFXMC-UHFFFAOYSA-N",378702,NA,"PDBC14670","661807","Present",NA,NA
+"14671","2-(5-Methyl-7-oxo-1,7-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)ethyl formate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Methyl-7-oxo-1,7-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-6-yl)ethyl formate",NA,"CC1=C(C(=O)NC2=NN=CN12)CCOC=O","UXFZPOYYGDHIOU-UHFFFAOYSA-N",135409149,NA,"PDBC14671","660337","Present",NA,NA
+"14672","2-(5-Methylthiophen-2-yl)-2,3-dihydro-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinazolinone, 2,3-dihydro-2-(5-methyl-2-thienyl)-",NA,"CC1=CC=C(S1)C2NC3=CC=CC=C3C(=O)N2","SMZMLCNTHXBCBB-UHFFFAOYSA-N",300571,NA,"PDBC14672","175634","Present",NA,NA
+"14673","2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetonitrile",NA,"C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CC#N)[N+](=O)[O-]","HFVVAPGCEBYDEK-UHFFFAOYSA-N",357362,NA,"PDBC14673","615796","Present",NA,NA
+"14674","2-(5-Nitrofuran-2-yl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Nitro-2-furyl)prop-2-enamide",NA,"C=C(C1=CC=C(O1)[N+](=O)[O-])C(=O)N","FHULNCMQMNBXDP-UHFFFAOYSA-N",381106,NA,"PDBC14674","667269","Present",NA,NA
+"14675","2-(5-Oxo-1,3-dithian-2-ylidene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Oxo-1,3-dithian-2-ylidene)malononitrile",NA,"C1C(=O)CSC(=C(C#N)C#N)S1","XNITVWZEBDBRPI-UHFFFAOYSA-N",361886,NA,"PDBC14675","625231","Present",NA,NA
+"14676","2-(5-Oxo-3-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Oxo-3-phenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione",NA,"C1CCC2C(C1)C(=O)N(C2=O)N3C(=NNC3=O)C4=CC=CC=C4","VDFUFYHSFSWOLQ-UHFFFAOYSA-N",387569,NA,"PDBC14676","681526","Present",NA,NA
+"14677","2-(5-Oxo-3-phenyl-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Oxo-3-phenyl-1H-1,2,4-triazol-4-yl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione",NA,"C1C=CCC2C1C(=O)N(C2=O)N3C(=NNC3=O)C4=CC=CC=C4","GYYVITKSWGATRC-UHFFFAOYSA-N",387566,NA,"PDBC14677","681523","Present",NA,NA
+"14678","2-(5-Oxo-3-thioxo-1,2,4-triazolidine-1-carbothioyl)-5-thioxo-1,2,4-triazolidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Oxo-3-thioxo-1,2,4-triazolidine-1-carbothioyl)-5-thioxo-1,2,4-triazolidin-3-one",NA,"C1(=S)NC(=O)N(N1)C(=S)N2C(=O)NC(=S)N2","KPOGFKYTRZKZPY-UHFFFAOYSA-N",3004933,NA,"PDBC14678","663998","Present",NA,NA
+"14679","2-(5-Oxospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)sulfanyl-N-(phenylcarbamothioyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)sulfanyl-N-(phenylcarbamothioyl)acetamide",NA,"C1=CC=C(C=C1)NC(=S)NC(=O)CSC2=NNC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2","WKQPDZXWJPFFBA-UHFFFAOYSA-N",135409131,NA,"PDBC14679","658731","Present",NA,NA
+"14680","2-(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-yl)sulfanyl-N-(prop-2-enylcarbamoyl)acetamide",NA,"C=CCNC(=O)NC(=O)CSC1=NNC2(C3=CC=CC=C3C4=CC=CC=C42)C(=O)N1","PYZADTFBSKEEQL-UHFFFAOYSA-N",135409132,NA,"PDBC14680","658732","Present",NA,NA
+"14681","2-(5-Oxospiro[1H,4H-1,2,4-triazine-6,9'-fluorene]-3-ylthio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Oxospiro[1H,4H-1,2,4-triazine-6,9'-fluorene]-3-ylthio)acetic acid",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)SCC(=O)O","KHEZTLWXTCNROH-UHFFFAOYSA-N",135409128,NA,"PDBC14681","658723","Present",NA,NA
+"14682","2-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)acetic acid",NA,"C1C2=CN=C(N=C2C3=CC=CC=C3O1)NCC(=O)O","RMSPKWPKXGJZJG-UHFFFAOYSA-N",390580,NA,"PDBC14682","688103","Present",NA,NA
+"14683","2-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)propanoic acid",NA,"CC(C(=O)O)NC1=NC=C2COC3=CC=CC=C3C2=N1","YLJJKDVWNYLTIE-UHFFFAOYSA-N",390581,NA,"PDBC14683","688104","Present",NA,NA
+"14684","2-(6,10-Dihydroxy-9-oxo-1,4-dihydrophenanthren-4a-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6,10-Dihydroxy-9-oxo-1,4-dihydrophenanthren-4a-yl)acetonitrile",NA,"C1C=CCC2(C1=C(C(=O)C3=C2C=C(C=C3)O)O)CC#N","QRBGJLBYXBYXTK-UHFFFAOYSA-N",356236,NA,"PDBC14684","611389","Present",NA,NA
+"14685","2-(6,11-Dioxobenzo[b]acridin-12-yl)prop-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz[b]acridine-12-acetaldehyde, 6,11-dihydro- .alpha.-m...",NA,"C=C(C=O)C1=C2C(=NC3=CC=CC=C31)C(=O)C4=CC=CC=C4C2=O","GDKOOOSGQUWYIV-UHFFFAOYSA-N",393103,NA,"PDBC14685","694489","Present",NA,NA
+"14686","2-(6,7-Dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)-N,N-dipropylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6,7-Dihydro-5H-indolo[2,1-a][2]benzazepin-13-yl)-N,N-dipropylacetamide",NA,"CCCN(CCC)C(=O)CC1=C2C3=CC=CC=C3CCCN2C4=CC=CC=C41","HXVSILAMVOCHRQ-UHFFFAOYSA-N",374072,NA,"PDBC14686","651332","Present",NA,NA
+"14687","2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-N'-(1-methylethylidene)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6,7-Dimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-N'-(1-methylethylidene)acetohydrazide",NA,"CC(=NNC(=O)CC1C2=CC(=C(C=C2CCN1)OC)OC)C","JDJNILZVYKNYDI-UHFFFAOYSA-N",371072,NA,"PDBC14687","645015","Present",NA,NA
+"14688","2-(6,7-Dimethoxy-2-naphthyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D0W1O876TC",NA,"COC1=C(C=C2C=C(C=CC2=C1)CC(=O)N)OC","ZRWDEFUPBAKUQP-UHFFFAOYSA-N",287282,NA,"PDBC14688","146866","Present",NA,NA
+"14689","2-(6,7-Dimethoxy-3,4-dihydro-2H-chromen-2-yl)-3,6-dimethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6,7-Dimethoxy-3,4-dihydro-2H-chromen-2-yl)-3,6-dimethoxyphenol",NA,"COC1=C(C(=C(C=C1)OC)O)C2CCC3=CC(=C(C=C3O2)OC)OC","UDNQCVRRBUTQJN-UHFFFAOYSA-N",394140,NA,"PDBC14689","697367","Present",NA,NA
+"14690","2-(6-(Acetyloxy)-5-((acetyloxy)methyl)-2-hydroxy-2-(hydroxymethyl)-5,8a-dimethyldecahydro-1-naphthalenyl)-1-(2-oxo-2,5-dihydro-3-furanyl)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Acetyloxy-5-[2-acetyloxy-2-(5-oxo-2H-furan-4-yl)ethyl]-6-hydroxy-6-(hydroxymethyl)-1,4a-dimethyl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl acetate",NA,"CC(=O)OCC1(C2CCC(C(C2(CCC1OC(=O)C)C)CC(C3=CCOC3=O)OC(=O)C)(CO)O)C","YWSYBCBTKSOFEC-UHFFFAOYSA-N",363125,NA,"PDBC14690","627694","Present",NA,NA
+"14691","2-(6-(Benzyloxy)-2-methyl-9H-purin-9-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-(Benzyloxy)-2-methyl-9H-purin-9-yl)ethanol",NA,"CC1=NC2=C(C(=N1)OCC3=CC=CC=C3)N=CN2CCO","AJPNOIPDRJFMQI-UHFFFAOYSA-N",382625,NA,"PDBC14691","670266","Present",NA,NA
+"14692","2-(6-(Benzylthio)-9H-purin-9-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-(Benzylthio)-9H-purin-9-yl)ethanol",NA,"C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCO","GQBCTNNUQRHJDO-UHFFFAOYSA-N",244529,NA,"PDBC14692","55462","Present",NA,NA
+"14693","2-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol",NA,"CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)C","WPDLZCMMCBSTQN-UHFFFAOYSA-N",381395,NA,"PDBC14693","667935","Present",NA,NA
+"14694","2-(6-Amino-2-prop-2-ynylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Amino-2-prop-2-ynylsulfanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,"C#CCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N","DOQVBNTWSDZPPA-UHFFFAOYSA-N",374642,NA,"PDBC14694","652621","Present",NA,NA
+"14695","2-(6-Amino-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium-1-yl)-1-phenylethanone;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-3-methyl-1-(2-oxo-2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-1-ium bromide",NA,"CC1=N[N+](=C2N1N=C(S2)N)CC(=O)C3=CC=CC=C3.[Br-]","ORYLDJXPKYLYMY-UHFFFAOYSA-M",383484,NA,"PDBC14695","671874","Present",NA,NA
+"14696","2-(6-Amino-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-4-ium-2-yl)-1-phenylethanone;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Amino-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-4-ium-2-yl)-1-phenylethanone;bromide",NA,"CC1=[N+]2C(=NN1CC(=O)C3=CC=CC=C3)SC(=N2)N.[Br-]","SMWHUMJQCMGTEO-UHFFFAOYSA-M",383486,NA,"PDBC14696","671875","Present",NA,NA
+"14697","2-(6-Amino-8-phenyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Amino-8-phenyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,"C1=CC=C(C=C1)C2=NC3=C(N=CN=C3N2C4C(C(C(O4)CO)O)O)N","VPKLCUYVISQZJY-UHFFFAOYSA-N",336708,NA,"PDBC14697","351730","Present",NA,NA
+"14698","2-(6-Amino-8-prop-2-enylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Amino-8-prop-2-enylsulfanyl-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,"C=CCSC1=NC2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N","ZATIFJKJPWWYAJ-UHFFFAOYSA-N",282735,NA,"PDBC14698","136563","Present",NA,NA
+"14699","2-(6-Amino-9H-purin-9-yl)-5-((4-chlorobenzylthio)methyl)tetrahydrofuran-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-amino-9H-purin-9-yl)-5-((4-chlorobenzylthio)methyl)...",NA,"C1=CC(=CC=C1CSCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)O)Cl","IJLUIMSYWGUZCP-UHFFFAOYSA-N",359468,NA,"PDBC14699","620333","Present",NA,NA
+"14700","2-(6-Aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol",NA,"CC1C(C(C(O1)(CO)N2C=NC3=C(N=CN=C32)N)O)O","KFCSMTRZGREXSN-UHFFFAOYSA-N",360271,NA,"PDBC14700","622296","Present",NA,NA
+"14701","2-(6-Aminopurin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Aminopurin-9-yl)-4-(hydroxymethyl)cyclopent-4-ene-1,3-diol",NA,"C1=C(C(C(C1O)N2C=NC3=C(N=CN=C32)N)O)CO","QTTPSWNJDDVBIP-UHFFFAOYSA-N",363221,NA,"PDBC14701","627962","Present",NA,NA
+"14702","2-(6-Aminopurin-9-yl)-5-(heptylsulfanylmethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Aminopurin-9-yl)-5-(heptylsulfanylmethyl)oxolane-3,4-diol",NA,"CCCCCCCSCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O","HMECIBOATAUFOB-UHFFFAOYSA-N",360632,NA,"PDBC14702","622938","Present",NA,NA
+"14703","2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3-ol",NA,"C1=C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO","SXGNBHGKRKMCRE-UHFFFAOYSA-N",354916,NA,"PDBC14703","607634","Present",NA,NA
+"14704","2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ara-a///.alpha.-D-Arabinofuranosyladenine///xylosyl a",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N","OIRDTQYFTABQOQ-UHFFFAOYSA-N",191,NA,"PDBC14704","404241///70422///7359","Present",NA,NA
+"14705","2-(6-Aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Aminopurin-9-yl)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-3,4-diol",NA,"CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O","CJOSHSDHCPNMOJ-UHFFFAOYSA-N",357469,NA,"PDBC14705","616354","Present",NA,NA
+"14706","2-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol",NA,"CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)O","BEOMZXKHEQYFOO-UHFFFAOYSA-N",381394,NA,"PDBC14706","667934","Present",NA,NA
+"14707","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-(3,6-dichloro-2-methoxybenzoyl)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-(3,6-dichloro-2-methoxybenzoyl)benzohydrazide",NA,"COC1=C(C=CC(=C1C(=O)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5)Cl)Cl","JUQJBAYEXFXAGW-UHFFFAOYSA-N",402240,NA,"PDBC14707","716131","Present",NA,NA
+"14708","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[(E)-1-cyano-4-phenylbut-3-enyl]benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[(E)-1-cyano-4-phenylbut-3-enyl]benzohydrazide",NA,"C1=CC=C(C=C1)C=CCC(C#N)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5","PWLUUNVMLOMYJW-JXMROGBWSA-N",5472042,NA,"PDBC14708","716139","Present",NA,NA
+"14709","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano(phenyl)methyl]benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano(phenyl)methyl]benzohydrazide",NA,"C1=CC=C(C=C1)C(C#N)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5","WWOMXROAPKVBFF-UHFFFAOYSA-N",402247,NA,"PDBC14709","716138","Present",NA,NA
+"14710","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano-(2-hydroxy-3-methoxyphenyl)methyl]benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano-(2-hydroxy-3-methoxyphenyl)methyl]benzohydrazide",NA,"COC1=CC=CC(=C1O)C(C#N)NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5","DFVDEGIQZWAOQF-UHFFFAOYSA-N",402249,NA,"PDBC14710","716140","Present",NA,NA
+"14711","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano-(3-phenoxyphenyl)methyl]benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N'-[cyano-(3-phenoxyphenyl)methyl]benzohydrazide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)NNC(C#N)C5=CC(=CC=C5)OC6=CC=CC=C6","NTWDPASAZAVQFQ-UHFFFAOYSA-N",402250,NA,"PDBC14711","716141","Present",NA,NA
+"14712","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(furan-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-(furan-2-yl)benzamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)NC5=CC=CO5","BZAWPKMWYPQOSN-UHFFFAOYSA-N",402231,NA,"PDBC14712","716122","Present",NA,NA
+"14713","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-chlorophenyl)methylideneamino]benzamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)NN=CC5=CC=C(C=C5)Cl","UUCNFXPTEGQNOG-RPUDKEGQSA-N",9572426,NA,"PDBC14713","716125","Present",NA,NA
+"14714","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]benzamide",NA,"COC1=C(C=CC(=C1)C=NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5)O","KHXFFQYVLYBREG-RPUDKEGQSA-N",135436247,NA,"PDBC14714","716127","Present",NA,NA
+"14715","2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]benzamide",NA,"C1=CC=C(C=C1)C=CC=NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5","DUOWFWGMDCQIOW-GKSPGJBZSA-N",54611796,NA,"PDBC14715","716126","Present",NA,NA
+"14716","2-(6-Benzoyl-1H-benzimidazol-2-yl)-N-[(E)-benzylideneamino]-3,4,5,6-tetrachlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Benzoyl-1H-benzimidazol-2-yl)-N-[(E)-benzylideneamino]-3,4,5,6-tetrachlorobenzamide",NA,"C1=CC=C(C=C1)C=NNC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)C(=O)C5=CC=CC=C5","HJMZQCZQXSFYGK-ZHSUKTGHSA-N",54611795,NA,"PDBC14716","716124","Present",NA,NA
+"14717","2-(6-Bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-bromo-1H-indol-3-yl)-4-(1H-indol-3-yl)thiazole",NA,"C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=C4C=CC(=C5)Br","PDEHLQUHOVEXKO-UHFFFAOYSA-N",396208,NA,"PDBC14717","701760","Present",NA,NA
+"14718","2-(6-Bromo-2-chloroquinolin-3-yl)-2-(2,6-dichloroanilino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Bromo-2-chloroquinolin-3-yl)-2-[(2,6-dichlorophenyl)amino]acetamide",NA,"C1=CC(=C(C(=C1)Cl)NC(C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C(=O)N)Cl","HNCJGHGTASMJKG-UHFFFAOYSA-N",402331,NA,"PDBC14718","716222","Present",NA,NA
+"14719","2-(6-Bromo-2-chloroquinolin-3-yl)-2-(4-chloroanilino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Bromo-2-chloroquinolin-3-yl)-2-[(4-chlorophenyl)amino]acetamide",NA,"C1=CC(=CC=C1NC(C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C(=O)N)Cl","BUWSJBWYFOANLT-UHFFFAOYSA-N",402330,NA,"PDBC14719","716221","Present",NA,NA
+"14720","2-(6-Bromo-2-chloroquinolin-3-yl)-2-(4-methoxyanilino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Bromo-2-chloroquinolin-3-yl)-2-[(4-methoxyphenyl)amino]acetamide",NA,"COC1=CC=C(C=C1)NC(C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C(=O)N","SXCPLXQGYVPSRQ-UHFFFAOYSA-N",402332,NA,"PDBC14720","716223","Present",NA,NA
+"14721","2-(6-Bromo-2-chloroquinolin-3-yl)-3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(3-chloro-4-fluorophenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C4=CC(=C(C=C4)F)Cl","XRPOUCNBBAMVSF-UHFFFAOYSA-N",402323,NA,"PDBC14721","716214","Present",NA,NA
+"14722","2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-chlorophenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C4=CC=C(C=C4)Cl","ATFZXCWMQLCGGK-UHFFFAOYSA-N",402322,NA,"PDBC14722","716213","Present",NA,NA
+"14723","2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC=C(C=C1)N2C(SCC2=O)C3=C(N=C4C=CC(=CC4=C3)Br)Cl","FLFFTIRHZYQPQA-UHFFFAOYSA-N",402325,NA,"PDBC14723","716216","Present",NA,NA
+"14724","2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1,3-thiazolidin-4-one",NA,"CC1C(=O)N(C(S1)C2=C(N=C3C=CC(=CC3=C2)Br)Cl)C4=CC=C(C=C4)OC","IKEVIXYUMOJOEZ-UHFFFAOYSA-N",402326,NA,"PDBC14724","716217","Present",NA,NA
+"14725","2-(6-Bromo-3,5-dioxo-1,2,4-triazin-2-yl)ethoxymethylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{[2-(6-Bromo-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3h)-yl)ethoxy]methyl}phosphonic acid",NA,"C(COCP(=O)(O)O)N1C(=O)NC(=O)C(=N1)Br","IHXCNTCVFSJECE-UHFFFAOYSA-N",386542,NA,"PDBC14725","678974","Present",NA,NA
+"14726","2-(6-Chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)acetamide",NA,"CC1C(=O)N(C2(S1)CCCCC2)NC(=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=O)N3C5=CC=CC=C5","DWQWHSNPQNPDIS-UHFFFAOYSA-N",399569,NA,"PDBC14726","710443","Present",NA,NA
+"14727","2-(6-Chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-[(5-fluoro-2-hydroxy-1H-indol-3-yl)imino]acetamide",NA,"C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC(=O)N=NC4=C(NC5=C4C=C(C=C5)F)O","GTXLILOAEDNYNZ-UHFFFAOYSA-N",403592,NA,"PDBC14727","718645","Present",NA,NA
+"14728","2-(6-Chloropyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Chloropyrimidin-4-yl)-2-(1-methylbenzimidazol-2-yl)acetonitrile",NA,"CN1C2=CC=CC=C2N=C1C(C#N)C3=CC(=NC=N3)Cl","SYJJNVLMYRRKKW-UHFFFAOYSA-N",395226,NA,"PDBC14728","699701","Present",NA,NA
+"14729","2-(6-Chloropyrimidin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Chloropyrimidin-4-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]acetonitrile",NA,"C1=CC2=C(C=C1C(F)(F)F)N=C(S2)C(C#N)C3=CC(=NC=N3)Cl","BUPSBGZRGFBBNA-UHFFFAOYSA-N",395225,NA,"PDBC14729","699700","Present",NA,NA
+"14730","2-(6-Fluoro-2-phenylquinolin-4-yl)oxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6-Fluoro-2-phenylquinolin-4-yl)oxy]acetic acid",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)F)C(=C2)OCC(=O)O","JZNLCJDRTMFKNG-UHFFFAOYSA-N",384483,NA,"PDBC14730","674288","Present",NA,NA
+"14731","2-(6-Formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzoic acid",NA,"COC1=C(C(=C(C(=C1)C(=O)O)C2=CC3=C(C=C2C=O)OCO3)OC)OC","OQSXWPNAXDUXCF-UHFFFAOYSA-N",372306,NA,"PDBC14731","647365","Present",NA,NA
+"14732","2-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)cyclohexanecarboxylic...",NA,"C1CCC(C(C1)C2=C3C=CC(=O)C=C3OC4=C2C=CC(=C4)O)C(=O)O","HXOZFLYYEKBTMP-UHFFFAOYSA-N",274107,NA,"PDBC14732","119892","Present",NA,NA
+"14733","2-(6-Imino-1-isonicotinoyl-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(2-hydroxyphen...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)C4=CC=NC=C4","WEFZPWLBUZACTA-UHFFFAOYSA-N",376861,NA,"PDBC14733","657980","Present",NA,NA
+"14734","2-(6-Imino-3-methyl-1-(phenylacetyl)-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-1-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl 4-(1-hy...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=C(C4=CC=CC=C4C=C3)O)C(=O)CC5=CC=CC=C5","VRZRQCHRPCGIAL-UHFFFAOYSA-N",376467,NA,"PDBC14734","657381","Present",NA,NA
+"14735","2-(6-Methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Methoxy-1,3-benzodioxol-5-yl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole",NA,"CC1(COC(=N1)C2=CC3=C(C=C2OC)OCO3)C","WWFOQUDTWGZDKO-UHFFFAOYSA-N",370793,NA,"PDBC14735","644315","Present",NA,NA
+"14736","2-(6-Methoxy-2-methylquinolin-4-ylthio)benzo[d]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Methoxy-2-methylquinolin-4-ylthio)benzo[d]thiazole",NA,"CC1=CC(=C2C=C(C=CC2=N1)OC)SC3=NC4=CC=CC=C4S3","PGWZWDHGBCTCBR-UHFFFAOYSA-N",224687,NA,"PDBC14736","13380","Present",NA,NA
+"14737","2-(6-Methoxy-2-naphthyl)-1-(2,3,4,5-tetrafluorophenyl)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Methoxy-2-naphthyl)-1-(2,3,4,5-tetrafluorophenyl)-1-propanol",NA,"CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(C3=CC(=C(C(=C3F)F)F)F)O","DHLOUZZUEJCHDZ-UHFFFAOYSA-N",376271,NA,"PDBC14737","656978","Present",NA,NA
+"14738","2-(6-Methoxy-2-phenylquinolin-4-yl)oxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6-Methoxy-2-phenylquinolin-4-yl)oxy]acetic acid",NA,"COC1=CC2=C(C=C1)N=C(C=C2OCC(=O)O)C3=CC=CC=C3","LHTCWLOFQJDXMA-UHFFFAOYSA-N",384482,NA,"PDBC14738","674287","Present",NA,NA
+"14739","2-(6-Methoxy-7,8,9,10-tetrahydrobenzo[b]phenazin-8-yl)-2-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Methoxy-7,8,9,10-tetrahydrobenzo[b]phenazin-8-yl)-2-propanol",NA,"CC(C)(C1CCC2=CC3=NC4=CC=CC=C4N=C3C(=C2C1)OC)O","HKXZZWKLKPMEMP-UHFFFAOYSA-N",372189,NA,"PDBC14739","647139","Present",NA,NA
+"14740","2-(6-Methoxyquinolin-4-yl)sulfanylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6-Methoxyquinolin-4-yl)sulfanyl]acetic acid",NA,"COC1=CC2=C(C=CN=C2C=C1)SCC(=O)O","ONLXPKBWQNEVFR-UHFFFAOYSA-N",224792,NA,"PDBC14740","13581","Present",NA,NA
+"14741","2-(6-Methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl)-1,2,4-triazine-3,5(2H,4H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638123///NSC638124",NA,"CC1C(=O)C=CC(O1)N2C(=O)NC(=O)C=N2","MVJZWNKCNLNGCU-UHFFFAOYSA-N",367925,NA,"PDBC14741","638123///638124","Present",NA,NA
+"14742","2-(6-Nitro-1,3-benzoxazol-2-yl)benzo[f]chromen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Nitro-1,3-benzoxazol-2-yl)benzo[f]chromen-3-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC5=C(O4)C=C(C=C5)[N+](=O)[O-]","MWMYIGRFPFYXAS-UHFFFAOYSA-N",395988,NA,"PDBC14742","701112","Present",NA,NA
+"14743","2-(6-Oxo-3,4-diphenyl-1H-pyridazin-5-yl)-4-phenyl-phthalazin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Oxo-3,4-diphenyl-1H-pyridazin-5-yl)-4-phenyl-phthalazin-1-one",NA,"C1=CC=C(C=C1)C2=C(C(=O)NN=C2C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C(=N4)C6=CC=CC=C6","DZVUUSBGIKMWSG-UHFFFAOYSA-N",368759,NA,"PDBC14743","639913","Present",NA,NA
+"14744","2-(6-Phenanthridinylthio)-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(phenanthridin-6-ylthio)-1-phenylethanone",NA,"C1=CC=C(C=C1)C(=O)CSC2=NC3=CC=CC=C3C4=CC=CC=C42","QRANKYBGAVSGHQ-UHFFFAOYSA-N",264067,NA,"PDBC14744","98905","Present",NA,NA
+"14745","2-(6H-Isoindolo[2,1-a]indol-11-yl)-N,N-dipropylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6H-Isoindolo[2,1-a]indol-11-yl)-N,N-dipropylacetamide",NA,"CCCN(CCC)C(=O)CC1=C2C3=CC=CC=C3CN2C4=CC=CC=C41","RJCFRGFOEOYKJE-UHFFFAOYSA-N",374074,NA,"PDBC14745","651334","Present",NA,NA
+"14746","2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(7,8-Dihydro-6-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol",NA,"CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)N5CCCC5","CRSJWEZUGYNWDK-UHFFFAOYSA-N",146599,NA,"PDBC14746","375505","Present",NA,NA
+"14747","2-(7,8-Dihydro-7-methyl-6-(1-pyrrolidinyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-8-yl)-6-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-1,3-Dioxolo[4,5-g][1]benzopyran, 7,8-dihydro- 8-(2-hy...",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)O","HRGWMGTYIRQYMO-UHFFFAOYSA-N",146600,NA,"PDBC14747","375503","Present",NA,NA
+"14748","2-(7,8-Dimethoxyquinolin-5-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(7,8-Dimethoxyquinolin-5-yl)aniline",NA,"COC1=C(C2=C(C=CC=N2)C(=C1)C3=CC=CC=C3N)OC","FKNKLZDYUOKWOD-UHFFFAOYSA-N",403398,NA,"PDBC14748","718199","Present",NA,NA
+"14749","2-(7-(Acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(7-(Acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate",NA,"CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC=CC=C3OC(=O)C","VIPZXQZPGCJBAE-UHFFFAOYSA-N",384027,NA,"PDBC14749","673137","Present",NA,NA
+"14750","2-(7-Amino-[1,2]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isothiazolo[4,5-d]pyrimidin-7-amine,3-(.beta.-D-ribofura...///NSC675866",NA,"C1=NC2=C(C(=N1)N)SN=C2C3C(C(C(O3)CO)O)O","YGFGQYZYMXRMTP-UHFFFAOYSA-N",385012,NA,"PDBC14750","675865///675866","Present",NA,NA
+"14751","2-(7-Aminotriazolo[4,5-d]pyrimidin-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,2,3-Triazolo[4,5-d]pyrimidin-7-amine, 2-.beta.-D-ri...",NA,"C1=NC2=NN(N=C2C(=N1)N)C3C(C(C(O3)CO)O)O","RDPTWPVOUPSVOZ-UHFFFAOYSA-N",280898,NA,"PDBC14751","133118","Present",NA,NA
+"14752","2-(7-Ethyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(7-Ethyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-6-methoxyphenol",NA,"CCC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)O","UWMPNVWZHCIJMI-UHFFFAOYSA-N",380574,NA,"PDBC14752","666224","Present",NA,NA
+"14753","2-(7-Ethyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(7-Ethyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CCC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=CC=C5O","MPGWMGUALYVDAX-UHFFFAOYSA-N",381380,NA,"PDBC14753","667920","Present",NA,NA
+"14754","2-(7-Ethylsulfanyl-[1,2]thiazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(7-Ethylsulfanylisothiazolo[5,4-e]pyrimidin-3-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol",NA,"CCSC1=NC=NC2=C1SN=C2C3C(C(C(O3)CO)O)O","HQOVFJJHZKZBQH-UHFFFAOYSA-N",388276,NA,"PDBC14754","682917","Present",NA,NA
+"14755","2-(7-Fluoro-2-phenylquinolin-4-yl)oxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AP751",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)F)C(=C2)OCC(=O)O","VZGFJRSZCSKGEZ-UHFFFAOYSA-N",384481,NA,"PDBC14755","674286","Present",NA,NA
+"14756","2-(7-Methyl-1,1-dioxo-3,4-dihydro-2H-1$l^{6}-benzothiepin-5-ylidene)propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7-Methyl-1,1-dioxido-3,4-dihydro-1-benzothiepin-5(2h)-ylidene)propanedinitrile",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCCC2=C(C#N)C#N","UEMFAGZEZRXPIU-UHFFFAOYSA-N",391879,NA,"PDBC14756","691560","Present",NA,NA
+"14757","2-(7-Methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(7-Methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC=CC=C5O","JKQJZONEAFJYTO-UHFFFAOYSA-N",381372,NA,"PDBC14757","667912","Present",NA,NA
+"14758","2-(7-Methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro-6H-[1,3]d...",NA,"CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=CC=CC=C5O","BBXMIJIOSXULBG-UHFFFAOYSA-N",381373,NA,"PDBC14758","667913","Present",NA,NA
+"14759","2-(7-Methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(7-Methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=CC=C5O","NSLCFWHFZKDOKC-UHFFFAOYSA-N",381379,NA,"PDBC14759","667919","Present",NA,NA
+"14760","2-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea",NA,"CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","SERDXPHPXCGFFY-UHFFFAOYSA-N",381392,NA,"PDBC14760","667932","Present",NA,NA
+"14761","2-(7-Oxobenzo[a]phenalen-3-yl)sulfinylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(7-Oxo-7H-benzo[de]anthracen-3-ylsulfinyl)acetic acid",NA,"C1=CC=C2C(=C1)C3=C4C(=C(C=C3)S(=O)CC(=O)O)C=CC=C4C2=O","WUJCZHVABXHBKL-UHFFFAOYSA-N",226105,NA,"PDBC14761","16211","Present",NA,NA
+"14762","2-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea",NA,"CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=C(C(=CC=C4)OC)OC","DNRVDUVKNOJDLE-UHFFFAOYSA-N",381362,NA,"PDBC14762","667902","Present",NA,NA
+"14763","2-(8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[8-(2-Hydroxy-3-methoxy-phenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]urea",NA,"CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=C(C(=CC=C4)OC)O","JAONDLJNKHLARC-UHFFFAOYSA-N",381393,NA,"PDBC14763","667933","Present",NA,NA
+"14764","2-(8-(2-Hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(8-(2-Hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide",NA,"CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC=CC=C4O","ICISIXUOSAGJCL-UHFFFAOYSA-N",381375,NA,"PDBC14764","667915","Present",NA,NA
+"14765","2-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazinecarboxamide",NA,"CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC=C(C=C4)OC","GLLWVTQEQLAITJ-UHFFFAOYSA-N",381371,NA,"PDBC14765","667911","Present",NA,NA
+"14766","2-(8-Amino-3-methyl-7,8-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl)-1-(2,4-dihydroxy-phenyl)-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(8-Amino-3-methyl-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl)-1-(2,4-dihydroxyphenyl)ethanone",NA,"CC1=NN=C2N1N=C(CN2N)CC(=O)C3=C(C=C(C=C3)O)O","WORXQTWCHRUKRH-UHFFFAOYSA-N",366784,NA,"PDBC14766","635558","Present",NA,NA
+"14767","2-(8-Chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-phenylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(8-Chloro-5,5-dioxidoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-phenylquinazolin-4(3h)-one",NA,"C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C4=CC5=C(C=C4Cl)SC6=NC=CN6S5(=O)=O","DFXHJVORRVSVOW-UHFFFAOYSA-N",403252,NA,"PDBC14767","717953","Present",NA,NA
+"14768","2-(8-Chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-4,4-dioxo-5-phenyl-3,4lambda6,1,5-benzoxathiadiazocin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(8-Chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-4,4-dioxo-5-phenyl-3,4lambda6,1,5-benzoxathiadiazocin-6-one",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C(OS2(=O)=O)C4=CC5=C(C=C4Cl)SC6=NC=CN6S5(=O)=O","IRGOTCAVWNXMMS-UHFFFAOYSA-N",403253,NA,"PDBC14768","717954","Present",NA,NA
+"14769","2-(8-Cyano-6,7-dimethyl-2,4-dioxo-1H-quinolin-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(8-Cyano-6,7-dimethyl-2,4-dioxo-1H-quinolin-3-yl)acetic acid",NA,"CC1=CC2=C(C(=C1C)C#N)NC(=O)C(C2=O)CC(=O)O","GJRXXLZIFCPFTM-UHFFFAOYSA-N",360074,NA,"PDBC14769","621872","Present",NA,NA
+"14770","2-(8-Oxo-2,2-diphenyl-1,3,6,2-oxadiazastannocan-3-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(8-Oxo-2,2-diphenyl-1,3,6,2-oxadiazastannocan-3-yl)acetic acid",NA,NA,NA,NA,NA,"PDBC14770","633507","Present",NA,NA
+"14771","2-(8-ethoxy-4-oxo-tetralin-5-yl)oxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(8-ethoxy-4-oxo-tetralin-5-yl)oxyacetic acid",NA,"CCOC1=C2CCCC(=O)C2=C(C=C1)OCC(=O)O","GJJGNXMUEGVGHL-UHFFFAOYSA-N",361618,NA,"PDBC14771","624803","Present",NA,NA
+"14772","2-(9,10-Dimethoxy-10-thiophen-2-ylanthracen-9-yl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9,10-Dimethoxy-10-thien-2-yl-9,10-dihydroanthracen-9-yl)thiophene",NA,"COC1(C2=CC=CC=C2C(C3=CC=CC=C31)(C4=CC=CS4)OC)C5=CC=CS5","WKMBKZUTQOMRRY-UHFFFAOYSA-N",402492,NA,"PDBC14772","716518","Present",NA,NA
+"14773","2-(9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)-N-cyclohexylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)-N-cyclohexylacetamide",NA,"C1CCC(CC1)NC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","JDKVNGJJWPSNIS-UHFFFAOYSA-N",394888,NA,"PDBC14773","698979","Present",NA,NA
+"14774","2-(9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9-Bromo-6H-indolo[2,3-b]quinoxalin-6-yl)-N-phenylacetamide",NA,"C1=CC=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","LSEGQYZOWBFXQE-UHFFFAOYSA-N",394885,NA,"PDBC14774","698976","Present",NA,NA
+"14775","2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-1-morpholino-ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-1-morpholino-ethanone",NA,"C1COCCN1C(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","FQVUGYLZHUQASQ-UHFFFAOYSA-N",394886,NA,"PDBC14775","698977","Present",NA,NA
+"14776","2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-N-butyl-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)-N-butyl-acetamide",NA,"CCCCNC(=O)CN1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31","RYJAEHATAJTDGH-UHFFFAOYSA-N",394884,NA,"PDBC14776","698975","Present",NA,NA
+"14777","2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9-Bromoindolo[3,2-b]quinoxalin-6-yl)acetohydrazide",NA,"C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)CC(=O)NN","UZPDJKAJPWLMRR-UHFFFAOYSA-N",394889,NA,"PDBC14777","698980","Present",NA,NA
+"14778","2-(9-Diethylamino-7H-benzo[a]phenazin-5-ylidene)-malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9-Diethylamino-7H-benzo[a]phenazin-5-ylidene)-malononitrile",NA,"CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=C(C#N)C#N)C=C3N2","KQBJTVLRHKGHJQ-UHFFFAOYSA-N",364895,NA,"PDBC14778","631723","Present",NA,NA
+"14779","2-(9-Fluorenylamino)-2-oxazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69181",NA,"C1COC(=N1)NC2C3=CC=CC=C3C4=CC=CC=C24","YXWWPDIUHXAGNG-UHFFFAOYSA-N",58254,NA,"PDBC14779","664278","Present",NA,NA
+"14780","2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Methylpentadecan-7-yl)amino]ethyl 4-nitrobenzoate",NA,"CCCCCCC(C)CC(CCCCCC)NCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-]","RHMQUCJFHNCQBF-UHFFFAOYSA-N",274793,NA,"PDBC14780","121073","Present",NA,NA
+"14781","2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9-Methylpentadecan-7-ylamino)ethyl 4-nitrobenzoate;hydrochloride",NA,"CCCCCCC(C)CC(CCCCCC)NCCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].Cl","FVFWVEMTLBWZHH-UHFFFAOYSA-N",24191363,NA,"PDBC14781","121129","Present",NA,NA
+"14782","2-(9-Octadecenyl)-2-imidazoline-1-ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9-Octadecenyl)-2-imidazoline-1-ethanol",NA,"CCCCCCCCC=CCCCCCCCCC1=NCCN1CCO","XRRROBQIQXHHHV-MDZDMXLPSA-N",5382359,NA,"PDBC14782","138144","Present",NA,NA
+"14783","2-(9-Oxo-9H-fluoren-2-ylcarbamoyl)terephthalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9-oxo-9H-fluoren-2-ylcarbamoyl)terephthalic acid",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)NC(=O)C4=C(C=CC(=C4)C(=O)O)C(=O)O","XJQUOXCWJVHGIN-UHFFFAOYSA-N",54609759,NA,"PDBC14783","73100","Present",NA,NA
+"14784","2-(9H-Fluoren-2-ylcarbonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5136840",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)C(=O)C4=CC=CC=C4C(=O)O","BKERUEGGSAZGGP-UHFFFAOYSA-N",253806,NA,"PDBC14784","77053","Present",NA,NA
+"14785","2-(9H-Fluoren-9-yl)butanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluorene-9-succinic acid",NA,"C1=CC=C2C(=C1)C(C3=CC=CC=C32)C(CC(=O)O)C(=O)O","HGTCLOVEROWTJE-UHFFFAOYSA-N",225970,NA,"PDBC14785","15889","Present",NA,NA
+"14786","2-(9H-Purin-6-ylamino)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9H-Purin-6-ylamino)butanoic acid",NA,"CCC(C(=O)O)NC1=NC=NC2=C1NC=N2","IOLOZCGDTQDPRH-UHFFFAOYSA-N",4075199,NA,"PDBC14786","42414","Present",NA,NA
+"14787","2-(9H-Xanthen-9-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(9H-Xanthen-9-yl)benzoic acid",NA,"C1=CC=C(C(=C1)C2C3=CC=CC=C3OC4=CC=CC=C24)C(=O)O","YGCDXTJHFGXNKJ-UHFFFAOYSA-N",231690,NA,"PDBC14787","28311","Present",NA,NA
+"14788","2-(Acetylamino)-5-amino-N-benzylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-654",NA,"CC(=O)NC(CCCN)C(=O)NCC1=CC=CC=C1","RFRQCYKTWGWCAI-UHFFFAOYSA-N",370430,NA,"PDBC14788","643526","Present",NA,NA
+"14789","2-(Acetylamino)-6-(((allylamino)carbonyl)(benzyl)amino)-N-benzylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acetylamino)-6-(((allylamino)carbonyl)(benzyl)amino)-N-benzylhexanamide",NA,"CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)NCC=C)C(=O)NCC2=CC=CC=C2","MNSIYGIZHFFCKM-UHFFFAOYSA-N",370691,NA,"PDBC14789","644078","Present",NA,NA
+"14790","2-(Acetylamino)-6-(((allylamino)carbonyl)(propyl)amino)-N-benzylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acetylamino)-6-(((allylamino)carbonyl)(propyl)amino)-N-benzylhexanamide",NA,"CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCC=C","NEARHTGMTMCMPP-UHFFFAOYSA-N",370690,NA,"PDBC14790","644077","Present",NA,NA
+"14791","2-(Acetylamino)-6-amino-N-benzylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-657",NA,"CC(=O)NC(CCCCN)C(=O)NCC1=CC=CC=C1","YPNZVOZZUZERMK-UHFFFAOYSA-N",370433,NA,"PDBC14791","643529","Present",NA,NA
+"14792","2-(Acetylamino)-N-(1-benzyl-2-(1-pyrrolidinyl)-2-thioxoethyl)-4-methylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acetylamino)-N-(1-benzyl-2-(1-pyrrolidinyl)-2-thioxoethyl)-4-methylpentanamide",NA,"CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=S)N2CCCC2)NC(=O)C","CSAAUMYWSFRJKT-UHFFFAOYSA-N",370703,NA,"PDBC14792","644200","Present",NA,NA
+"14793","2-(Acetylamino)-N-(2-((2-amino-2-oxoethyl)amino)-1-(4-hydroxybenzyl)-2-oxoethyl)-3-hydroxypropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Acetamido-3-hydroxypropanoyl)amino]-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)propanamide",NA,"CC(=O)NC(CO)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)N","QRVPPAUECWYUST-UHFFFAOYSA-N",381737,NA,"PDBC14793","668597","Present",NA,NA
+"14794","2-(Acetylamino)-N~5~-methyl-N~1~-(2-((4-(methylamino)-1-((methylamino)carbonyl)-4-oxobutyl)amino)-2-oxo-1-(4-((6-oxoheptanoyl)amino)benzyl)ethyl)pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-N-[1-[[1,5-bis(methylamino)-1,5-dioxopentan-2-yl]amino]-1-oxo-3-[4-(6-oxoheptanoylamino)phenyl]propan-2-yl]-N'-methylpentanediamide",NA,"CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)NC)C(=O)NC)NC(=O)C(CCC(=O)NC)NC(=O)C","AALIKFBPOVQHLJ-UHFFFAOYSA-N",382202,NA,"PDBC14794","669662","Present",NA,NA
+"14795","2-(Acetylmethylene)benzimidazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acetylmethylene)benzimidazoline",NA,"CC(=CC1=NC2=CC=CC=C2N1)O","MICVAHFWWGJXHK-SREVYHEPSA-N",135467660,NA,"PDBC14795","645062","Present",NA,NA
+"14796","2-(Acetyloxy)-4-(2-oxo-2H-chromen-3-yl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acetyloxy)-4-(2-oxo-2H-chromen-3-yl)phenyl acetate",NA,"CC(=O)OC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)OC(=O)C","ANTJASBOBCTXBJ-UHFFFAOYSA-N",384022,NA,"PDBC14796","673132","Present",NA,NA
+"14797","2-(Acetyloxy)-4-(7-(acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acetyloxy)-4-(7-(acetyloxy)-2-oxo-2H-chromen-3-yl)phenyl acetate",NA,"CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC(=C(C=C3)OC(=O)C)OC(=O)C","ULRQFLGALCNVPB-UHFFFAOYSA-N",384023,NA,"PDBC14797","673133","Present",NA,NA
+"14798","2-(Acetyloxy)-5-(dichloro(phenyl)stannyl)pentyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acetyloxy)-5-(dichloro(phenyl)stannyl)pentyl acetate",NA,"CC(=O)OCC(CCC[Sn](C1=CC=CC=C1)(Cl)Cl)OC(=O)C","VATRJNXLYIAHPC-UHFFFAOYSA-L",363588,NA,"PDBC14798","628584","Present",NA,NA
+"14799","2-(Acridin-9-ylamino)-3-methyl-butyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-acridin-9-ylvaline",NA,"CC(C)C(C(=O)O)NC1=C2C=CC=CC2=NC3=CC=CC=C31","ALCXLRWSCMWMET-UHFFFAOYSA-N",363150,NA,"PDBC14799","627734","Present",NA,NA
+"14800","2-(Acridin-9-ylamino)-5-guanidino-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acridin-9-ylamino)-5-guanidino-pentanoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CCCN=C(N)N)C(=O)O","ZGDSAZAHLPCXAT-UHFFFAOYSA-N",363147,NA,"PDBC14800","627731","Present",NA,NA
+"14801","2-(Acridin-9-ylmethylamino)-5-guanidino-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acridin-9-ylmethylamino)-5-guanidino-pentanoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC(CCCN=C(N)N)C(=O)O","FVMRGTYRGOCMEN-UHFFFAOYSA-N",363151,NA,"PDBC14801","627736","Present",NA,NA
+"14802","2-(Acridin-9-ylmethylamino)-6-amino-6-oxohexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acridin-9-ylmethylamino)-6-amino-6-oxohexanoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC(CCCC(=O)N)C(=O)O","QYPSNLDYYPJMPY-UHFFFAOYSA-N",6711457,NA,"PDBC14802","627737","Present",NA,NA
+"14803","2-(Acridine-4-carbonylamino)ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acridine-4-carbonylamino)ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;bromide",NA,"C[N+](C)(CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-]","GNMCHDTWVLFFPZ-UHFFFAOYSA-N",387912,NA,"PDBC14803","682145","Present",NA,NA
+"14804","2-(Acridine-4-carbonylamino)ethyl-dimethyl-[(5-nitrothiophen-2-yl)methyl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acridine-4-carbonylamino)ethyl-dimethyl-[(5-nitro-2-thienyl)methyl]ammonium chloride",NA,"C[N+](C)(CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)CC4=CC=C(S4)[N+](=O)[O-].[Cl-]","KXUDLJUYUUVJPM-UHFFFAOYSA-N",388660,NA,"PDBC14804","683680","Present",NA,NA
+"14805","2-(Acridine-9-carbonylamino)-3-methylpentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acridine-9-carbonylamino)-3-methyl-pentanoic acid",NA,"CCC(C)C(C(=O)O)NC(=O)C1=C2C=CC=CC2=NC3=CC=CC=C31","QWXVZEKNGMKVSD-UHFFFAOYSA-N",392360,NA,"PDBC14805","692644","Present",NA,NA
+"14806","2-(Acridine-9-carbonylamino)-3-sulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acridine-9-carbonylamino)-3-sulfanyl-propanoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC(CS)C(=O)O","OXCSDOJUTUWUON-UHFFFAOYSA-N",392362,NA,"PDBC14806","692646","Present",NA,NA
+"14807","2-(Acridine-9-carbonylamino)-5-(diaminomethylideneamino)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acridine-9-carbonylamino)-5-guanidino-pentanoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC(CCCN=C(N)N)C(=O)O","HEBPAPMKVPCMJW-UHFFFAOYSA-N",392359,NA,"PDBC14807","692643","Present",NA,NA
+"14808","2-(Acridine-9-carbonylamino)-5-amino-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acridine-9-carbonylamino)-5-amino-5-oxo-pentanoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC(CCC(=O)N)C(=O)O","YBIXIQIOUALMCG-UHFFFAOYSA-N",392361,NA,"PDBC14808","692645","Present",NA,NA
+"14809","2-(Acridine-9-carbonylamino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Acridine-9-carbonylamino)acetic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NCC(=O)O","QUCVVBRYKAOIHL-UHFFFAOYSA-N",392358,NA,"PDBC14809","692642","Present",NA,NA
+"14810","2-(Allylamino)-5-amino-1,3-thiazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Allylamino)-5-amino-1,3-thiazole-4-carbonitrile",NA,"C=CCNC1=NC(=C(S1)N)C#N","RGXXRCQFFKZTQN-UHFFFAOYSA-N",379274,NA,"PDBC14810","663780","Present",NA,NA
+"14811","2-(Aminoethyl)cysteine monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-(.beta.-aminoethyl)-l-cysteine hydrochloride",NA,"C(CSCC(C(=O)O)N)N.Cl","CVHKULVNPGAEQM-UHFFFAOYSA-N",20495557,NA,"PDBC14811","186915","Present",NA,NA
+"14812","2-(Anilino(hydroxyamino)methyl)-3-phenylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Anilino(hydroxyamino)methyl)-3-phenylacrylonitrile",NA,"C1=CC=C(C=C1)C=C(C#N)C(NC2=CC=CC=C2)NO","WLNJVEPPXILBFD-SDNWHVSQSA-N",5388141,NA,"PDBC14812","632235","Present",NA,NA
+"14813","2-(Anilinomethyl)-6-bromo-3-phenylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-phenyl-2-[(phenylamino)methyl]quinazolin-4(3H)-one",NA,"C1=CC=C(C=C1)NCC2=NC3=C(C=C(C=C3)Br)C(=O)N2C4=CC=CC=C4","LZSGIDMGRSKIQU-UHFFFAOYSA-N",369091,NA,"PDBC14813","640648","Present",NA,NA
+"14814","2-(Aziridin-1-yl)-3-methylnaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Aziridin-1-yl)-3-methylnaphthalene-1,4-dione",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)N3CC3","DKRIJMBORYUEEM-UHFFFAOYSA-N",283978,NA,"PDBC14814","139346","Present",NA,NA
+"14815","2-(Benzene sulfonyl)-L-glutamic acid uride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzene sulfonyl)-L-glutamic acid uride",NA,"C1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NC(=O)N)C(=O)NC(=O)N","PKSDWZOTBKOKES-UHFFFAOYSA-N",388356,NA,"PDBC14815","683240","Present",NA,NA
+"14816","2-(Benzenecarbonothioyl)isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Phenylcarbonothioyl)-1h-isoindole-1,3(2h)-dione",NA,"C1=CC=C(C=C1)C(=S)N2C(=O)C3=CC=CC=C3C2=O","CIACEMHQWFIMTG-UHFFFAOYSA-N",401488,NA,"PDBC14816","715146","Present",NA,NA
+"14817","2-(Benzenecarbonothioylamino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzenecarbonothioylamino)benzoic acid",NA,"C1=CC=C(C=C1)C(=S)NC2=CC=CC=C2C(=O)O","BIBRRKBRYMBTBP-UHFFFAOYSA-N",3886168,NA,"PDBC14817","176371","Present",NA,NA
+"14818","2-(Benzenesulfinyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2NH2Ph-SO-Ph",NA,"C1=CC=C(C=C1)S(=O)C2=CC=CC=C2N","JLOIOAHBUWWPRI-UHFFFAOYSA-N",365386,NA,"PDBC14818","632999","Present",NA,NA
+"14819","2-(Benzenesulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzenesulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"C1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NO","OHOCEEISGJSVIO-UHFFFAOYSA-N",9572188,NA,"PDBC14819","707031","Present",NA,NA
+"14820","2-(Benzenesulfonyl)-4,5-dimethoxy-6-(methoxymethyl)oxan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705154///NSC705155",NA,"COCC1C(C(C(C(O1)S(=O)(=O)C2=CC=CC=C2)O)OC)OC","IWWOBHKWOARBGU-UHFFFAOYSA-N",397411,NA,"PDBC14820","705154///705155","Present",NA,NA
+"14821","2-(Benzenesulfonyl)aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624235",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2N.Cl","JTJGSKVDCPAYAE-UHFFFAOYSA-N",361293,NA,"PDBC14821","624235","Present",NA,NA
+"14822","2-(Benzhydrylsulfanyl)-4-phenyl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756154",NA,"C1=CC=C(C=C1)C2=CN=C(N2)SC(C3=CC=CC=C3)C4=CC=CC=C4","IHWOBIIDIVJCRV-UHFFFAOYSA-N",403041,NA,"PDBC14822","717513","Present",NA,NA
+"14823","2-(Benzimidazol-1-yl)ethanimidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645375",NA,"C1=CC=C2C(=C1)N=CN2CC(=N)N.Cl","WZQDXWPUDIOACH-UHFFFAOYSA-N",371300,NA,"PDBC14823","645375","Present",NA,NA
+"14824","2-(Benzo[D][1,3]dioxol-5-YL)-2,3-dihydroquinolin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1,3-benzodioxol-5-yl)-2,3-dihydro-1~{H}-quinolin-4-one",NA,"C1C(NC2=CC=CC=C2C1=O)C3=CC4=C(C=C3)OCO4","HUCPWAIRFSQMTN-UHFFFAOYSA-N",10880055,NA,"PDBC14824","783181","Present",NA,NA
+"14825","2-(Benzo[d]oxazol-3(2H)-ylmethyl)-5-((cyclohexylamino)methyl)benzene-1, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(benzo[d]oxazol-3(2H)-ylmethyl)-5-((cyclohexylamino)me...",NA,"C1CCC(CC1)NCC2=CC(=C(C=C2O)CN3COC4=CC=CC=C43)O.Cl","ONVCIRBTSJHKJK-UHFFFAOYSA-N",54601349,NA,"PDBC14825","48693","Present",NA,NA
+"14826","2-(Benzo[d]thiazol-2-ylthio)ethan-1-amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(benzo[d]thiazol-2-ylthio)ethanamine, monohydrochloride",NA,"C1=CC=C2C(=C1)N=C(S2)SCCN.Cl","FUGNUHLMJQAKON-UHFFFAOYSA-N",24190966,NA,"PDBC14826","117369","Present",NA,NA
+"14827","2-(Benzotriazol-1-yl)-N-(4-fluorophenyl)quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzotriazol-1-yl)-N-(4-fluorophenyl)quinolin-4-amine",NA,"C1=CC=C2C(=C1)C(=CC(=N2)N3C4=CC=CC=C4N=N3)NC5=CC=C(C=C5)F","VGKXCWAAOTZPEF-UHFFFAOYSA-N",24203267,NA,"PDBC14827","727460","Present",NA,NA
+"14828","2-(Benzotriazol-1-yl)-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzotriazol-1-yl)-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]quinolin-4-amine",NA,"CC(=NOC)C1=CC(=CC=C1)NC2=CC(=NC3=CC=CC=C32)N4C5=CC=CC=C5N=N4","AFBTVVOSTGSRLC-NTFVMDSBSA-N",24203264,NA,"PDBC14828","727457","Present",NA,NA
+"14829","2-(Benzoylamino)-2-methylmalonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Benzoylamino)(methyl)propanedioic acid",NA,"CC(C(=O)O)(C(=O)O)NC(=O)C1=CC=CC=C1","GOQMHPSLQDHOIT-UHFFFAOYSA-N",274179,NA,"PDBC14829","120025","Present",NA,NA
+"14830","2-(Benzylamino)-5-(Z)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methylidene-4,5-dihydro-1,3-thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"coc1ccc(cc1)c2nc(\c=c\3/sc(=nc3=o)ncc4ccccc4)c5ccccn25",NA,"COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C=C4C(=O)NC(=NCC5=CC=CC=C5)S4","ACLQNCHTMLETHD-JCMHNJIXSA-N",136040088,NA,"PDBC14830","751418","Present",NA,NA
+"14831","2-(Benzyloxy)-1-((benzyloxy)methyl)ethyl diazenylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzyloxy)-1-((benzyloxy)methyl)ethyl diazenylacetate",NA,"C1=CC=C(C=C1)COCC(COCC2=CC=CC=C2)OC(=O)C[NH+]=[N-]","ZEEKOWNADCNGGK-UHFFFAOYSA-N",386740,NA,"PDBC14831","679282","Present",NA,NA
+"14832","2-(Benzyloxy)-1-methyl-2-oxoethyl 2-((2-((tert-butoxycarbonyl)amino)-3-phenylpropanoyl)amino)-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Oxo-1-phenylmethoxypropan-2-yl) 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoate",NA,"CC(C(=O)OCC1=CC=CC=C1)OC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C","AXTMOYZQURUOPG-UHFFFAOYSA-N",381609,NA,"PDBC14832","668422","Present",NA,NA
+"14833","2-(Benzyloxy)-3-(1,3-dithian-2-yl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzyloxy)-3-(1,3-dithian-2-yl)pyridine",NA,"C1CSC(SC1)C2=C(N=CC=C2)OCC3=CC=CC=C3","ODTYYVUQMLVQBK-UHFFFAOYSA-N",386850,NA,"PDBC14833","679584","Present",NA,NA
+"14834","2-(Benzyloxy)-4-isobutyl-1,3-oxazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzyloxy)-4-isobutyl-1,3-oxazol-5(4H)-one",NA,"CC(C)CC1C(=O)OC(=N1)OCC2=CC=CC=C2","XYXGMKISONCBJW-UHFFFAOYSA-N",382265,NA,"PDBC14834","669718","Present",NA,NA
+"14835","2-(Benzyloxy)-4-methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzyloxy)-4-methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone",NA,"COC1=CC(=C(C=C1)C=NNC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OCC5=CC=CC=C5","SSBMTGMUEDRCTP-NDZAJKAJSA-N",9571457,NA,"PDBC14835","666364","Present",NA,NA
+"14836","2-(Benzyloxy)-5-(2-nitrovinyl)anisole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC22600",NA,"COC1=C(C=CC(=C1)C=C[N+](=O)[O-])OCC2=CC=CC=C2","YDGNRJKNDGBMCL-KTKRTIGZSA-N",5354917,NA,"PDBC14836","22600","Present",NA,NA
+"14837","2-(Benzyloxycarbonylamino)-6-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzyloxycarbonylamino)-6-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoic acid",NA,"C1=CC=C(C=C1)COC(=O)NCC(=O)NCCCCC(C(=O)O)NC(=O)OCC2=CC=CC=C2","GECBEHDPQBJJMB-UHFFFAOYSA-N",381624,NA,"PDBC14837","668445","Present",NA,NA
+"14838","2-(Benzyloxymethyl)-1-vinyl-cyclohex-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((Benzyloxy)methyl)-1-vinyl-2-cyclohexen-1-ol",NA,"C=CC1(CCCC=C1COCC2=CC=CC=C2)O","KQSBIFMFCXOBHN-UHFFFAOYSA-N",394600,NA,"PDBC14838","698180","Present",NA,NA
+"14839","2-(Benzylsulfinyl)-3-(2-thienyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzylsulfinyl)-3-(2-thienyl)quinoxaline",NA,"C1=CC=C(C=C1)CS(=O)C2=NC3=CC=CC=C3N=C2C4=CC=CS4","PYHGYMDSADRIIM-UHFFFAOYSA-N",374668,NA,"PDBC14839","652768","Present",NA,NA
+"14840","2-(Benzylsulfinyl)isophthalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzylsulfinyl)isophthalic acid",NA,"C1=CC=C(C=C1)CS(=O)C2=C(C=CC=C2C(=O)O)C(=O)O","CKAKBIDWQALZDX-UHFFFAOYSA-N",331209,NA,"PDBC14840","321598","Present",NA,NA
+"14841","2-(Benzylthio)-2-methylpropylamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC154983",NA,"CC(C)(CN)SCC1=CC=CC=C1.Cl","XCWVANNYZYEYHF-UHFFFAOYSA-N",14613827,NA,"PDBC14841","154983","Present",NA,NA
+"14842","2-(Benzylthio)-3-(2-thienyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzylthio)-3-(2-thienyl)quinoxaline",NA,"C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3N=C2C4=CC=CS4","UNWXUHPFCOSAFU-UHFFFAOYSA-N",374667,NA,"PDBC14842","652767","Present",NA,NA
+"14843","2-(Benzylthio)-6-(4-ethylanilino)-3-methyl-4(3H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzylthio)-6-(4-ethylanilino)-3-methyl-4(3H)-pyrimidinone",NA,"CCC1=CC=C(C=C1)NC2=CC(=O)N(C(=N2)SCC3=CC=CC=C3)C","XKVHXXWMJMLZAK-UHFFFAOYSA-N",387243,NA,"PDBC14843","680819","Present",NA,NA
+"14844","2-(Benzylthio)-6-(4-ethylanilino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzylthio)-6-(4-ethylanilino)-4-pyrimidinol",NA,"CCC1=CC=C(C=C1)NC2=CC(=O)NC(=N2)SCC3=CC=CC=C3","UWMYWYLHHZMIDO-UHFFFAOYSA-N",135489816,NA,"PDBC14844","680820","Present",NA,NA
+"14845","2-(Benzylthio)-6-hydroxy-4-pyrimidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzylthio)-6-hydroxy-4-pyrimidinecarboxylic acid",NA,"C1=CC=C(C=C1)CSC2=NC(=CC(=O)N2)C(=O)O","IIANGSQEYFEYLM-UHFFFAOYSA-N",135403625,NA,"PDBC14845","42010","Present",NA,NA
+"14846","2-(Benzylthio)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-59866",NA,"C1=CC=C(C=C1)CSCCO","ANMHSIXPUAKNLM-UHFFFAOYSA-N",77486,NA,"PDBC14846","404004","Present",NA,NA
+"14847","2-(Benzylthio)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedinitrile, 2-(phenylmethyl)thio-",NA,"C1=CC=C(C=C1)CSC(C#N)C#N","DWLAFZZWURUUGI-UHFFFAOYSA-N",361853,NA,"PDBC14847","625174","Present",NA,NA
+"14848","2-(Benzylthio)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002352",NA,"CC(C(=O)O)SCC1=CC=CC=C1","QKHQITUHYKZKJI-UHFFFAOYSA-N",270959,NA,"PDBC14848","114213","Present",NA,NA
+"14849","2-(Bis(1,3-benzothiazol-2-ylthio)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Bis(1,3-benzothiazol-2-ylthio)methyl)phenol",NA,"C1=CC=C(C(=C1)C(SC2=NC3=CC=CC=C3S2)SC4=NC5=CC=CC=C5S4)O","FCSJSKBERJLLHH-UHFFFAOYSA-N",241878,NA,"PDBC14849","49789","Present",NA,NA
+"14850","2-(Bis(4-methoxy-1-naphthyl)methyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Di(4'-methoxynaphthyl)methyl]benzoic acid with benzen...",NA,"COC1=CC=C(C2=CC=CC=C21)C(C3=CC=CC=C3C(=O)O)C4=CC=C(C5=CC=CC=C54)OC","RPHANSZCZYCVHU-UHFFFAOYSA-N",368154,NA,"PDBC14850","638503","Present",NA,NA
+"14851","2-(Bis(4-methoxyphenyl)methylene)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Bis(4-methoxyphenyl)methylene)malononitrile",NA,"COC1=CC=C(C=C1)C(=C(C#N)C#N)C2=CC=C(C=C2)OC","OIGOUJJCCHQOQV-UHFFFAOYSA-N",363697,NA,"PDBC14851","628812","Present",NA,NA
+"14852","2-(Bis(methylthio)methylene)-4-chloro-1,3-benzodithiole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Bis(methylthio)methylene)-4-chloro-1,3-benzodithiole",NA,"CSC(=C1SC2=C(S1)C(=CC=C2)Cl)SC","BPLNZNPUADZJPA-UHFFFAOYSA-N",373751,NA,"PDBC14852","650705","Present",NA,NA
+"14853","2-(Bromomethoxy)ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AOWRRNLQOFCITG-UHFFFAOYSA-N",NA,"CC(=O)OCCOCBr","AOWRRNLQOFCITG-UHFFFAOYSA-N",367656,NA,"PDBC14853","637534","Present",NA,NA
+"14854","2-(Bromomethoxy)ethyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Bromomethoxy)ethyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCCOCBr","AZULTSCIGRESGB-UHFFFAOYSA-N",367724,NA,"PDBC14854","637658","Present",NA,NA
+"14855","2-(Bromomethyl)-3H-quinazoline-4,5,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Bromomethyl)-3H-quinazoline-4,5,8-trione",NA,"C1=CC(=O)C2=C(C1=O)C(=O)NC(=N2)CBr","BZVJZLZRJOJGMJ-UHFFFAOYSA-N",135455630,NA,"PDBC14855","619793","Present",NA,NA
+"14856","2-(Bromomethyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Bromomethyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one",NA,"CC1=CC(=O)OC2=C1C=C3C=C(OC3=C2C)CBr","WACSJNHEFUINEC-UHFFFAOYSA-N",383152,NA,"PDBC14856","671198","Present",NA,NA
+"14857","2-(Bromomethyl)-5-(2-bromopropan-2-yl)-2-ethenyloxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Bromomethyl)-5-(2-bromopropan-2-yl)-2-ethenyltetrahydrofuran",NA,"CC(C)(C1CCC(O1)(CBr)C=C)Br","ZJARJNJKVYTJLZ-UHFFFAOYSA-N",382923,NA,"PDBC14857","670800","Present",NA,NA
+"14858","2-(Bromomethyl)-6-methoxy-3,4,5-tritrityloxyoxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Bromomethyl)-6-methoxy-3,4,5-tritrityloxyoxane",NA,"COC1C(C(C(C(O1)CBr)OC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)OC(C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1","ZJEJBLWGAZBXNH-UHFFFAOYSA-N",345734,NA,"PDBC14858","403490","Present",NA,NA
+"14859","2-(Butoxymethyl)-1-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643470",NA,"CCCCOCN=C(N)NC#N","QIPGGMIAJHJKGE-UHFFFAOYSA-N",5465263,NA,"PDBC14859","643470","Present",NA,NA
+"14860","2-(Butylamino)-1,2-bis(4-chlorophenyl)ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC32262",NA,"CCCCNC(C1=CC=C(C=C1)Cl)C(C2=CC=C(C=C2)Cl)O.Cl","SUEFYHMHONBWQA-UHFFFAOYSA-N",24184002,NA,"PDBC14860","32262","Present",NA,NA
+"14861","2-(Butylamino)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"04Z09IBM8Z",NA,"CCCCNC1=NC2=C(C(=O)N1)NC=N2","OZPCMYKOSKILNC-UHFFFAOYSA-N",135440025,NA,"PDBC14861","682516","Present",NA,NA
+"14862","2-(Butylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Butylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,"CCCCNC(=O)C1C2CCC(C1C(=O)O)O2","IYWLRXVCEZKPBZ-UHFFFAOYSA-N",369529,NA,"PDBC14862","641386","Present",NA,NA
+"14863","2-(Carbamoylamino)-2-methoxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alpha-methoxyhydantoic acid",NA,"COC(C(=O)O)NC(=O)N","SQBMMSCMKXLJDZ-UHFFFAOYSA-N",325890,NA,"PDBC14863","295473","Present",NA,NA
+"14864","2-(Carboxy proxyl)-decyltriphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(carboxy proxyl)-decyltriphenylphosphonium bromide",NA,"CC1(CC(C(N1O)(C)C)C(=O)OCCCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]","NTGAQMJUWCLECA-UHFFFAOYSA-M",54613125,NA,"PDBC14864","748953","Present",NA,NA
+"14865","2-(Carboxymethyl)-4-fluorobenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH890324",NA,"C1=CC(=C(C=C1F)CC(=O)O)C(=O)O","NJRYCMRYNLWLED-UHFFFAOYSA-N",345395,NA,"PDBC14865","403018","Present",NA,NA
+"14866","2-(Chloromethyl)-1,3-dinitro-5-(trifluoromethyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(chloromethyl)-1,3-dinitro-5-(trifluoromethyl)benzene",NA,"C1=C(C=C(C(=C1[N+](=O)[O-])CCl)[N+](=O)[O-])C(F)(F)F","KPRLWYSEFTZEDA-UHFFFAOYSA-N",360493,NA,"PDBC14866","622627","Present",NA,NA
+"14867","2-(Chloromethyl)-4,5-bis[(pyrimidine-2-yl)thio]pyridazine-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Chloromethyl)-4,5-bis(pyrimidin-2-ylsulfanyl)pyridazin-3(2h)-one",NA,"C1=CN=C(N=C1)SC2=C(C(=O)N(N=C2)CCl)SC3=NC=CC=N3","AAFYMIQMIOGQHL-UHFFFAOYSA-N",400496,NA,"PDBC14867","712393","Present",NA,NA
+"14868","2-(Chloromethyl)-6-hydroxy-1-(methylsulphonyl)-indoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Chloromethyl)-6-hydroxy-1-(methylsulphonyl)-indoline",NA,"CS(=O)(=O)N1CC(C2=C1C=C(C=C2)O)CCl","NKRUFEUYGKNSDG-UHFFFAOYSA-N",384835,NA,"PDBC14868","675353","Present",NA,NA
+"14869","2-(Chloromethyl)-7-hydroxy-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Chloromethyl)-7-hydroxy-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,5-dione",NA,"CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=C(C5=C(C(=O)C4=O)N(C(=N5)CCl)C)O","JVIKUTMCAAHPME-UHFFFAOYSA-N",135426680,NA,"PDBC14869","706845","Present",NA,NA
+"14870","2-(Chloromethyl)-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-[1,2,4]-Triazolo[5,1-b][1,3]benzothiazin-9-one, 2-(ch...",NA,"C1=CC=C2C(=C1)C(=O)N3C(=NC(=N3)CCl)S2","NWIRWAOQYMSGPG-UHFFFAOYSA-N",365002,NA,"PDBC14870","631911","Present",NA,NA
+"14871","2-(Chloromethyl)thieno[2,3-f][1]benzothiole-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Chloromethyl)benzo[1,2-b:4,5-b']bisthiophene-4,8-dione",NA,"C1=CSC2=C1C(=O)C3=C(C2=O)C=C(S3)CCl","XXJGOZZVSHFCRQ-UHFFFAOYSA-N",375905,NA,"PDBC14871","656242","Present",NA,NA
+"14872","2-(Cyano(imino)methyl)-3-oxo-N-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Cyano(imino)methyl)-3-oxo-N-phenylbutanamide",NA,"CC(=O)C(C(=N)C#N)C(=O)NC1=CC=CC=C1","LLNRNJORJFJDEJ-UHFFFAOYSA-N",300592,NA,"PDBC14872","175668","Present",NA,NA
+"14873","2-(Cyanoamino)-5-ethyl-N-phenyl-6-propyl-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Cyanoamino)-5-ethyl-N-phenyl-6-propyl-4-pyrimidinecarboxamide",NA,"CCCC1=C(C(=NC(=N1)NC#N)C(=O)NC2=CC=CC=C2)CC","KUPPXQLOCQPLPQ-UHFFFAOYSA-N",364947,NA,"PDBC14873","631833","Present",NA,NA
+"14874","2-(Cyanoamino)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Cyanoamino)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide",NA,"CC1=C(SC2=CC=CC=C2N1)C3=CC(=NC(=N3)NC#N)C(=O)NC4=NC=CS4","ONWUALLXLBJDNP-UHFFFAOYSA-N",361456,NA,"PDBC14874","624478","Present",NA,NA
+"14875","2-(Cyanoamino)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Cyanoamino)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide",NA,"CC1=C(SC2=CC=CC=C2N1)C3=CC(=NC(=N3)NC#N)C(=O)NC4=CC=CC(=C4)C(F)(F)F","LRIKDJVQDYSWLE-UHFFFAOYSA-N",360300,NA,"PDBC14875","622335","Present",NA,NA
+"14876","2-(Cyanoamino)-N-(2-(((2-(cyanoamino)-6-(2-methyl-1-propenyl)-4-pyrimidinyl)carbonyl)amino)ethyl)-6-(2-methyl-1-propenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Cyanoamino)-N-[2-[[2-(cyanoamino)-6-(2-methylprop-1-enyl)pyrimidine-4-carbonyl]amino]ethyl]-6-(2-methylprop-1-enyl)pyrimidine-4-carboxamide",NA,"CC(=CC1=CC(=NC(=N1)NC#N)C(=O)NCCNC(=O)C2=NC(=NC(=C2)C=C(C)C)NC#N)C","VWETZVMJZWDUPX-UHFFFAOYSA-N",364276,NA,"PDBC14876","630293","Present",NA,NA
+"14877","2-(Cyanoamino)-N-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Cyanoamino)-N-(3,4-dimethylphenyl)-6-(4-methoxyphenyl)-4-pyrimidinecarboxamide",NA,"CC1=C(C=C(C=C1)NC(=O)C2=NC(=NC(=C2)C3=CC=C(C=C3)OC)NC#N)C","GRNKLGZNLZLSSI-UHFFFAOYSA-N",361442,NA,"PDBC14877","624464","Present",NA,NA
+"14878","2-(Cyclohexyl(hydroxy)methyl)-3-(4-((triisopropylsilyl)oxy)-1-butenyl)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Cyclohexyl(hydroxy)methyl)-3-(4-((triisopropylsilyl)oxy)-1-butenyl)cyclopentanone",NA,"CC(C)[Si](C(C)C)(C(C)C)OCCC=CC1CCC(=O)C1C(C2CCCCC2)O","AIFDEPAJGQREQC-ZRDIBKRKSA-N",5469502,NA,"PDBC14878","689221","Present",NA,NA
+"14879","2-(Cyclohexylcarbonyl)-12-methyl-2,3,6,7,12,12b-hexahydropyrazino[1',2':1,2]pyrido[3,4-b]indol-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Cyclohexanecarbonyl)-17-methyl-4,7,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),11,13,15-tetraen-6-one",NA,"CN1C2=CC=CC=C2C3=C1C4CN(CC(=O)N4CC3)C(=O)C5CCCCC5","RRKMTAZPIGDTTH-UHFFFAOYSA-N",383344,NA,"PDBC14879","671458","Present",NA,NA
+"14880","2-(Diacetylamino)-2H-naphtho[2,3-d]triazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diacetylamino)-2H-naphtho[2,3-d]triazole-4,9-dione",NA,"CC(=O)N(C(=O)C)N1N=C2C(=N1)C(=O)C3=CC=CC=C3C2=O","OXHHRUSWVJUTGK-UHFFFAOYSA-N",397503,NA,"PDBC14880","705598","Present",NA,NA
+"14881","2-(Dibenzylamino)-N-methoxy-N-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanamide, 2-[bis(phenylmethyl)amino]-N-methoxy-N-methyl-",NA,"CC(C(=O)N(C)OC)N(CC1=CC=CC=C1)CC2=CC=CC=C2","DGDCDTWDXBHCQE-UHFFFAOYSA-N",375612,NA,"PDBC14881","655434","Present",NA,NA
+"14882","2-(Dibromomethyl)-1-nitroanthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37600",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(Br)Br)[N+](=O)[O-]","BXZDZTNIJGLMJO-UHFFFAOYSA-N",235829,NA,"PDBC14882","37600","Present",NA,NA
+"14883","2-(Dibutylamino)-1-(4-phenylmethoxynaphthalen-1-yl)ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dibutylamino)-1-(4-phenylmethoxynaphthalen-1-yl)ethanol;hydrochloride",NA,"CCCCN(CCCC)CC(C1=CC=C(C2=CC=CC=C21)OCC3=CC=CC=C3)O.Cl","IMRRRBDQKLOHPQ-UHFFFAOYSA-N",53423315,NA,"PDBC14883","13489","Present",NA,NA
+"14884","2-(Dicyanomethylene)-aceanthren-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Oxoaceanthrylen-2-ylidene)propanedinitrile",NA,"C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=C(C#N)C#N","LBTRQZNGKWXTEH-UHFFFAOYSA-N",395935,NA,"PDBC14884","701030","Present",NA,NA
+"14885","2-(Diethoxyphosphoryl)-3-(1-((4-methylphenyl)sulfonyl)-1H-imidazol-4-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethoxyphosphoryl)-3-(1-((4-methylphenyl)sulfonyl)-1H-imidazol-4-yl)propanoic acid",NA,"CCOP(=O)(C(CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)C(=O)O)OCC","PGDDNJRQZUMHIS-UHFFFAOYSA-N",382150,NA,"PDBC14885","669596","Present",NA,NA
+"14886","2-(Diethoxyphosphoryl)-3-(1H-indol-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethoxyphosphoryl)-3-(1H-indol-3-yl)propanoic acid",NA,"CCOP(=O)(C(CC1=CNC2=CC=CC=C21)C(=O)O)OCC","UERFMMGNOPIERE-UHFFFAOYSA-N",382170,NA,"PDBC14886","669629","Present",NA,NA
+"14887","2-(Diethoxyphosphorylamino)benzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diethyl(6-oxo-6h-benzo[c]chromen-2-yl)phosphoramidate",NA,"CCOP(=O)(NC1=CC2=C(C=C1)OC(=O)C3=CC=CC=C32)OCC","WWCHHWCIIQITCT-UHFFFAOYSA-N",265056,NA,"PDBC14887","100827","Present",NA,NA
+"14888","2-(Diethoxyphosphorylmethyl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethoxyphosphorylmethyl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol",NA,"CCOP(=O)(CC1C(C(C(O1)CO)O)O)OCC","LYEYSPMBJBJGLG-UHFFFAOYSA-N",394850,NA,"PDBC14888","698925","Present",NA,NA
+"14889","2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylamino)-1-(4-phenylcyclohexyl)ethanol",NA,"CCN(CC)CC(C1CCC(CC1)C2=CC=CC=C2)O","KCPQCTKXSFRSEY-UHFFFAOYSA-N",344209,NA,"PDBC14889","400995","Present",NA,NA
+"14890","2-(Diethylamino)-4-(4-chlorophenyl)-8-chloro-2H-1,3-dithia-5-oxa-4H-cyclopenta[a]naphthalene-2-ylium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,N-Diethylamino-8-chloro-4-(4-chlorophenyl)-4H-1,3-di...",NA,"CC[N+](=C1SC2=C(S1)C3=C(C=CC(=C3)Cl)OC2C4=CC=C(C=C4)Cl)CC","BNOXBBORQRCKNS-UHFFFAOYSA-N",127050246,NA,"PDBC14890","794209","Present",NA,NA
+"14891","2-(Diethylamino)-N-(4-methyl-9H-xanthen-9-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylamino)-N-(4-methyl-9H-xanthen-9-yl)acetamide",NA,"CCN(CC)CC(=O)NC1C2=CC=CC=C2OC3=C(C=CC=C13)C","MUWUAXSKRJVAGF-UHFFFAOYSA-N",366826,NA,"PDBC14891","635598","Present",NA,NA
+"14892","2-(Diethylamino)-N-(9H-xanthen-9-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylamino)-N-(9H-xanthen-9-yl)acetamide",NA,"CCN(CC)CC(=O)NC1C2=CC=CC=C2OC3=CC=CC=C13","GPUXPROFYQHVII-UHFFFAOYSA-N",366823,NA,"PDBC14892","635595","Present",NA,NA
+"14893","2-(Diethylamino)-N-ethyl-N-phenylethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(diethylamino)-N-ethyl-N-phenyl-acetamidine",NA,"CCN(CC)CC(=N)N(CC)C1=CC=CC=C1","LJFGHUIRQVPCAJ-UHFFFAOYSA-N",367601,NA,"PDBC14893","637433","Present",NA,NA
+"14894","2-(Diethylamino)ethyl 2-(4-oxo-2-phenylchromen-8-yl)acetate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-8-acetic acid, 4-oxo-2-phenyl-, 2-(dieth...",NA,"CCN(CC)CCOC(=O)CC1=C2C(=CC=C1)C(=O)C=C(O2)C3=CC=CC=C3.Cl","WDVNOYDPVLEXLL-UHFFFAOYSA-N",5351298,NA,"PDBC14894","293015","Present",NA,NA
+"14895","2-(Diethylamino)ethyl 3-(3-azabicyclo[3.2.2]non-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylamino)ethyl 3-(3-azabicyclo[3.2.2]non-3-yl)propanoate",NA,"CCN(CC)CCOC(=O)CCN1CC2CCC(C1)CC2","FCTCXMHQEXACJY-UHFFFAOYSA-N",379446,NA,"PDBC14895","663994","Present",NA,NA
+"14896","2-(Diethylaminomethyl)-1-phenyldodecan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylaminomethyl)-1-phenyldodecan-1-ol;hydrochloride",NA,"CCCCCCCCCCC(CN(CC)CC)C(C1=CC=CC=C1)O.Cl","CXKUOEKRIIYNQZ-UHFFFAOYSA-N",24181198,NA,"PDBC14896","5912","Present",NA,NA
+"14897","2-(Diethylaminomethyl)-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylaminomethyl)-3-phenyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one",NA,"CCN(CC)CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1C4=CC=CC=C4","RHPIPYDMGPJCPC-UHFFFAOYSA-N",394569,NA,"PDBC14897","698134","Present",NA,NA
+"14898","2-(Diethylaminomethyl)-4-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylaminomethyl)-4-(10H-indolo[3,2-b]quinolin-11-ylamino)phenol;hydrochloride",NA,"CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3)O.Cl","IKYCJGLQFLPQRX-UHFFFAOYSA-N",373147,NA,"PDBC14898","649090","Present",NA,NA
+"14899","2-(Diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylaminomethyl)-4-[(10-methylindolo[3,2-b]quinolin-11-yl)amino]phenol;hydrochloride",NA,"CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3C)O.Cl","IAPNUOYAHQHYQR-UHFFFAOYSA-N",373149,NA,"PDBC14899","649091","Present",NA,NA
+"14900","2-(Diethylaminomethyl)-4-[(3-methyltriazolo[4,5-f]quinolin-9-yl)amino]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylaminomethyl)-4-[(3-methyltriazolo[4,5-f]quinolin-9-yl)amino]phenol;hydrochloride",NA,"CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=NC=C2)C=CC4=C3N=NN4C)O.Cl","QGEKXZMHKWEVCN-UHFFFAOYSA-N",387993,NA,"PDBC14900","682357","Present",NA,NA
+"14901","2-(Diethylaminomethyl)-4-[(6-methoxyquinolin-4-yl)amino]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylaminomethyl)-4-[(6-methoxyquinolin-4-yl)amino]phenol",NA,"CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=C(C=CC3=NC=C2)OC)O.Cl","YXWLOUKDLDLBER-UHFFFAOYSA-N",54601225,NA,"PDBC14901","13465","Present",NA,NA
+"14902","2-(Diethylaminomethyl)cyclododecan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656285",NA,"CCN(CC)CC1CCCCCCCCCCC1=O.Cl","IAJPUOSBJWEPDK-UHFFFAOYSA-N",375937,NA,"PDBC14902","656285","Present",NA,NA
+"14903","2-(Diethylcarbamothioylsulfanylsulfonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diethylcarbamothioylsulfanylsulfonyl)benzoic acid",NA,"CCN(CC)C(=S)SS(=O)(=O)C1=CC=CC=C1C(=O)O","VTOARZRCEHQXJY-UHFFFAOYSA-N",394915,NA,"PDBC14903","699008","Present",NA,NA
+"14904","2-(Dihexylamino)-1-(1,2-dihydroacenaphthylen-5-yl)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dihexylamino)-1-(1,2-dihydroacenaphthylen-5-yl)ethanol",NA,"CCCCCCN(CCCCCC)CC(C1=CC=C2CCC3=C2C1=CC=C3)O","TTZXZNPNHMBVGF-UHFFFAOYSA-N",224554,NA,"PDBC14904","13110","Present",NA,NA
+"14905","2-(Diiodomethylidene)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diiodomethylidene)cyclohexanone",NA,"C1CCC(=O)C(=C(I)I)C1","ZBDRCSSTKXSPFK-UHFFFAOYSA-N",384792,NA,"PDBC14905","675248","Present",NA,NA
+"14906","2-(Diisopropoxyphosphorylmethyl)-4-methyl-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonic acid, [(4-methyl-2-thiazolyl)methyl]-, bis(1-...",NA,"CC1=CSC(=N1)CP(=O)(OC(C)C)OC(C)C","LOUKCFKCTPCHLU-UHFFFAOYSA-N",383123,NA,"PDBC14906","671164","Present",NA,NA
+"14907","2-(Dimethoxymethyl)-2-phenyl-1-benzofuran-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethoxymethyl)-2-phenyl-1-benzofuran-3(2H)-one",NA,"COC(C1(C(=O)C2=CC=CC=C2O1)C3=CC=CC=C3)OC","HHDTWYKCZHZRDR-UHFFFAOYSA-N",376287,NA,"PDBC14907","657001","Present",NA,NA
+"14908","2-(Dimethylamino)-1,2-diphenylethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC133504",NA,"CN(C)C(C1=CC=CC=C1)C(C2=CC=CC=C2)O","MLJRRPFUCGOHPB-UHFFFAOYSA-N",223870,NA,"PDBC14908","133504","Present",NA,NA
+"14909","2-(Dimethylamino)-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol;hydrochloride",NA,"CC1=CC(=CC2=C1C=CC3=C2C=CC(=C3)C(C)C)C(CN(C)C)O.Cl","AHLPKCOUBXCTBY-UHFFFAOYSA-N",24181382,NA,"PDBC14909","8590","Present",NA,NA
+"14910","2-(Dimethylamino)-1-methoxy-3-phenyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-1-methoxy-3-phenyl-1,6,7,11b-tetrahydrobenzo[a]quinolizin-4-one",NA,"CN(C)C1=C(C(=O)N2CCC3=CC=CC=C3C2C1OC)C4=CC=CC=C4","SZCCEFVJGOWSGC-UHFFFAOYSA-N",394529,NA,"PDBC14910","698074","Present",NA,NA
+"14911","2-(Dimethylamino)-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-3-(4-methylphenyl)sulfanylnaphthalene-1,4-dione",NA,"CC1=CC=C(C=C1)SC2=C(C(=O)C3=CC=CC=C3C2=O)N(C)C","QOHQFFNJYZABNV-UHFFFAOYSA-N",275098,NA,"PDBC14911","121713","Present",NA,NA
+"14912","2-(Dimethylamino)-4-methylsulfanylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-4-methylsulfanylbutanoic acid",NA,"CN(C)C(CCSC)C(=O)O","FLEXUHXAXRFRAU-UHFFFAOYSA-N",239834,NA,"PDBC14912","45514","Present",NA,NA
+"14913","2-(Dimethylamino)-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one",NA,"CN(C)C1=NC2=C(C3=C(S2)CCCC3)C(=O)O1","HACNIXBBFNHNEM-UHFFFAOYSA-N",384427,NA,"PDBC14913","674204","Present",NA,NA
+"14914","2-(Dimethylamino)-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one",NA,"CC1=C(SC2=C1C(=O)OC(=N2)N(C)C)C","FNQJRRYSDGOFAL-UHFFFAOYSA-N",384430,NA,"PDBC14914","674207","Present",NA,NA
+"14915","2-(Dimethylamino)-5-ethyl-9-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(di...",NA,"CCC1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)C)C(=O)N(C3=O)N(C)C","LZROUWNHHCPRKE-UHFFFAOYSA-N",397883,NA,"PDBC14915","706739","Present",NA,NA
+"14916","2-(Dimethylamino)-5-methyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-5-methyl-7-phenylpyrrolo[3,4-d][1,3]oxazin-4(6H)-one",NA,"CC1=C2C(=C(N1)C3=CC=CC=C3)N=C(OC2=O)N(C)C","FHVGKFLBKYBWEK-UHFFFAOYSA-N",384422,NA,"PDBC14916","674199","Present",NA,NA
+"14917","2-(Dimethylamino)-7-(methoxymethyl)-5,6-dimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-7-(methoxymethyl)-5,6-dimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one",NA,"CC1=C(N(C2=C1C(=O)OC(=N2)N(C)C)COC)C","YQYVYVKLPGHSHE-UHFFFAOYSA-N",384433,NA,"PDBC14917","674210","Present",NA,NA
+"14918","2-(Dimethylamino)-8-(2-hydroxyethyl)-6,7-diphenyl-4(8H)-pteridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-8-(2-hydroxyethyl)-6,7-diphenyl-4(8H)-pteridinone",NA,"CN(C)C1=NC(=O)C2=NC(=C(N(C2=N1)CCO)C3=CC=CC=C3)C4=CC=CC=C4","PNXNXTFGEKXFGT-UHFFFAOYSA-N",387302,NA,"PDBC14918","680995","Present",NA,NA
+"14919","2-(Dimethylamino)-8-(2-hydroxyethyl)pteridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-8-(2-hydroxyethyl)pteridin-4-one",NA,"CN(C)C1=NC(=O)C2=NC=CN(C2=N1)CCO","FZVSUCBRXCBSSM-UHFFFAOYSA-N",387301,NA,"PDBC14919","680994","Present",NA,NA
+"14920","2-(Dimethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)acetamide",NA,"CC1=C2C(=CC=C1)C(C3=CC=CC=C3S2)NC(=O)CN(C)C","CLPAQTULVNFIMZ-UHFFFAOYSA-N",366833,NA,"PDBC14920","635605","Present",NA,NA
+"14921","2-(Dimethylamino)-N-(9-methyl-5H-chromeno[2,3-b]pyridin-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-N-(9-methyl-5H-chromeno[2,3-b]pyridin-5-yl)acetamide",NA,"CC1=C2C(=CC=C1)C(C3=C(O2)N=CC=C3)NC(=O)CN(C)C","IUGKONVOEBLJHQ-UHFFFAOYSA-N",375987,NA,"PDBC14921","656353","Present",NA,NA
+"14922","2-(Dimethylamino)-N-[4-[5-[[2-(dimethylamino)acetyl]amino]-6,8-difluoro-7-methyl-4-oxochromen-2-yl]-2-fluorophenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 6,8-difluoro-7-methyl-5-(dimethyl...",NA,"CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)CN(C)C)F)NC(=O)CN(C)C)F","VNCGBWXCWMNPDR-UHFFFAOYSA-N",397280,NA,"PDBC14922","704822","Present",NA,NA
+"14923","2-(Dimethylamino)chromeno[2,3-b]pyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H- 1 Benzopyrano 2,3-b pyridin-5-one, 2-(Dimethylamino)-",NA,"CN(C)C1=NC2=C(C=C1)C(=O)C3=CC=CC=C3O2","KXXTUVAJDQJMJK-UHFFFAOYSA-N",360210,NA,"PDBC14923","622189","Present",NA,NA
+"14924","2-(Dimethylamino)ethyl N-phenyl-1-piperidinecarbimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)ethyl N-phenyl-1-piperidinecarbimidothioate",NA,"CN(C)CCSC(=NC1=CC=CC=C1)N2CCCCC2","YOJWDMOEQCMKRU-UHFFFAOYSA-N",376071,NA,"PDBC14924","656470","Present",NA,NA
+"14925","2-(Dimethylamino)ethyl N-phenyl-1H-pyrrole-1-carbimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)ethyl N-phenyl-1H-pyrrole-1-carbimidothioate",NA,"CN(C)CCSC(=NC1=CC=CC=C1)N2C=CC=C2","CMWKHVOKWXCYMG-UHFFFAOYSA-N",376070,NA,"PDBC14925","656469","Present",NA,NA
+"14926","2-(Dimethylamino)ethyl N-phenyl-4H-1,4-oxazine-4-carbimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)ethyl N-phenyl-4H-1,4-oxazine-4-carbimidothioate",NA,"CN(C)CCSC(=NC1=CC=CC=C1)N2C=COC=C2","KBKUZTBAYJVLAP-UHFFFAOYSA-N",376072,NA,"PDBC14926","656471","Present",NA,NA
+"14927","2-(Dimethylamino)ethyl-diphenylphosphanium;palladium(2+);chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685469",NA,"CN(C)CC[PH+](C1=CC=CC=C1)C2=CC=CC=C2.CN(C)CC[PH+](C1=CC=CC=C1)C2=CC=CC=C2.[Cl-].[Pd+2]","DCQBDUANZCRARH-UHFFFAOYSA-O",6331518,NA,"PDBC14927","685469","Present",NA,NA
+"14928","2-(Dimethylaminomethyl)-4-[(E)-m-tolylazo]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylaminomethyl)-4-[(E)-m-tolylazo]phenol",NA,"CC1=CC(=CC=C1)N=NC2=CC(=C(C=C2)O)CN(C)C","IMYQWHPBWMROPD-UHFFFAOYSA-N",384366,NA,"PDBC14928","674076","Present",NA,NA
+"14929","2-(Dimethylaminomethyl)-4-[(E)-p-tolylazo]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylaminomethyl)-4-[(E)-p-tolylazo]phenol",NA,"CC1=CC=C(C=C1)N=NC2=CC(=C(C=C2)O)CN(C)C","SGMJQDSNLIVXDX-UHFFFAOYSA-N",384367,NA,"PDBC14929","674077","Present",NA,NA
+"14930","2-(Dimethylaminomethyl)-7-(3-methylbut-3-enyl)cycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylaminomethyl)-7-(3-methylbut-3-enyl)cycloheptanone",NA,"CC(=C)CCC1CCCCC(C1=O)CN(C)C","FIMDXLYYNGRIJW-UHFFFAOYSA-N",393404,NA,"PDBC14930","695237","Present",NA,NA
+"14931","2-(Dimethylaminomethyl)cyclohexanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylaminomethyl)cyclohexanone oxime",NA,"CN(C)CC1CCCCC1=NO","YGWRTJQWKSOLCF-KTKRTIGZSA-N",6375242,NA,"PDBC14931","629645","Present",NA,NA
+"14932","2-(Dimethylsulfamoylamino)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AJ-292/40797616",NA,"CN(C)S(=O)(=O)NC1=CC=CC=N1","VQLAVRJUCVTXQV-UHFFFAOYSA-N",304350,NA,"PDBC14932","196148","Present",NA,NA
+"14933","2-(Dipentylamino)-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dipentylamino)-1-(1-methyl-7-propan-2-ylphenanthren-3-yl)ethanol;hydrochloride",NA,"CCCCCN(CCCCC)CC(C1=CC2=C(C=CC3=C2C=CC(=C3)C(C)C)C(=C1)C)O.Cl","AJEXQGJQTRYVJM-UHFFFAOYSA-N",24181280,NA,"PDBC14933","7478","Present",NA,NA
+"14934","2-(Diphenylmethylene)hydrazinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"43F8Q05RYE",NA,"C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=CC=C2","DARIECBAYUCTAK-UHFFFAOYSA-N",249134,NA,"PDBC14934","67118","Present",NA,NA
+"14935","2-(Diphenylphosphoryl)-3-isopropyl-1-methyl-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Diphenylphosphoryl)-3-isopropyl-1-methyl-1H-indole",NA,"CC(C)C1=C(N(C2=CC=CC=C21)C)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","IXKCXOBNLHYIGF-UHFFFAOYSA-N",384015,NA,"PDBC14935","673120","Present",NA,NA
+"14936","2-(Dodecylsulfanyl)-1,4-benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dodecylsulfanyl)-1,4-benzoquinone",NA,"CCCCCCCCCCCCSC1=CC(=O)C=CC1=O","RIINWLSYFUDXFV-UHFFFAOYSA-N",269320,NA,"PDBC14936","110101","Present",NA,NA
+"14937","2-(E)-(3-N(^tau)-Histaminesuccinimide-3-methyl-1-butene)-indole-3-acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-[(E)-3-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]imidazol-1-yl]-3-methylbut-1-enyl]-1H-indol-3-yl]acetate",NA,"CC(C)(C=CC1=C(C2=CC=CC=C2N1)CC(=O)OC)N3C=C(N=C3)CCN4C(=O)CCC4=O","FYPKQWGFZJIQRS-ZRDIBKRKSA-N",5471026,NA,"PDBC14937","707446","Present",NA,NA
+"14938","2-(Ethoxy(methyl)phosphoryl)-3-(1H-indol-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Ethoxy(methyl)phosphoryl)-3-(1H-indol-3-yl)propanoic acid",NA,"CCOP(=O)(C)C(CC1=CNC2=CC=CC=C21)C(=O)O","VUSTUXNUGXRMHS-UHFFFAOYSA-N",382167,NA,"PDBC14938","669625","Present",NA,NA
+"14939","2-(Ethoxymethyl)-5-hydroxy-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Ethoxymethyl)-5-hydroxy-8,8-dimethyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one",NA,"CCOCC1=CC(=O)C2=C(O1)C3=C(C=C2O)OC(CC3)(C)C","HDAQSDAAQZQLJN-UHFFFAOYSA-N",361266,NA,"PDBC14939","624208","Present",NA,NA
+"14940","2-(Ethoxymethyl)-5-methoxy-8,8-dimethyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Ethoxymethyl)-5-methoxy-8,8-dimethyl-9,10-dihydro-4H,8H-pyrano[2,3-f]chromen-4-one",NA,"CCOCC1=CC(=O)C2=C(C=C3C(=C2O1)CCC(O3)(C)C)OC","AKOYEPXBYYUGJO-UHFFFAOYSA-N",361265,NA,"PDBC14940","624207","Present",NA,NA
+"14941","2-(Ethyl-(2-hydroxyethyl)amino)ethanol; 2,3,4,5,6-pentachlorophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Ethyl-(2-hydroxyethyl)amino)ethanol; 2,3,4,5,6-pentachlorophenol",NA,"CCN(CCO)CCO.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O","SEIIVYZZBVWVTH-UHFFFAOYSA-N",253979,NA,"PDBC14941","77552","Present",NA,NA
+"14942","2-(Ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Ethylsulfanylmethyl)-6-(4-fluorophenyl)-4-phenyloxan-4-ol",NA,"CCSCC1CC(CC(O1)C2=CC=C(C=C2)F)(C3=CC=CC=C3)O","CBOPNSRBBJCEGV-UHFFFAOYSA-N",54612775,NA,"PDBC14942","749753","Present",NA,NA
+"14943","2-(Ethylthio)-4-(2-furylmethylene)-5-hydrazino-4H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Ethylthio)-4-(2-furylmethylene)-5-hydrazino-4H-imidazole",NA,"CCSC1=NC(=CC2=CC=CO2)C(=N1)NN","SXKHPSVGGOTORV-VURMDHGXSA-N",5469742,NA,"PDBC14943","691978","Present",NA,NA
+"14944","2-(Ethylthio)-5-phenyl-7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Ethylthio)-5-phenyl-7,8-dihydro-6H-cyclopenta[5,6]pyrido[2,3-d]pyrimidin-4-amine",NA,"CCSC1=NC2=NC3=C(CCC3)C(=C2C(=N1)N)C4=CC=CC=C4","RRSDWSJQYCLXIM-UHFFFAOYSA-N",381061,NA,"PDBC14944","667080","Present",NA,NA
+"14945","2-(Formylamino)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-formamido-2-phenyl-acetamide",NA,"C1=CC=C(C=C1)C(C(=O)N)NC=O","KQMSLMMLZJRHPC-UHFFFAOYSA-N",338326,NA,"PDBC14945","360221","Present",NA,NA
+"14946","2-(Furan-2-yl)-1-methyl-3,5-dithiophen-2-ylpyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Furyl)-1-methyl-3,5-bis(2-thienyl)pyrrole",NA,"CN1C(=CC(=C1C2=CC=CO2)C3=CC=CS3)C4=CC=CS4","ZAAGCPJMCAHQPZ-UHFFFAOYSA-N",395512,NA,"PDBC14946","700202","Present",NA,NA
+"14947","2-(Furan-2-yl)-1H-perimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv2_000854",NA,"C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC=CO4","XBUZJCSOVOHHJC-UHFFFAOYSA-N",376355,NA,"PDBC14947","657188","Present",NA,NA
+"14948","2-(Furan-2-ylmethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Furylmethyl)benzoic acid",NA,"C1=CC=C(C(=C1)CC2=CC=CO2)C(=O)O","SRNAYAURQLXWPM-UHFFFAOYSA-N",358267,NA,"PDBC14948","618210","Present",NA,NA
+"14949","2-(Furo[3,2-c]quinolin-4-ylamino)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Furo[3,2-c]quinolin-4-ylamino)phenol",NA,"C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=CC=C4O","XZQAAUSZUZDCPU-UHFFFAOYSA-N",24203914,NA,"PDBC14949","730144","Present",NA,NA
+"14950","2-(Heptan-4-ylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Heptan-4-ylamino)-1-[2-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridin-4-yl]ethanol;hydrochloride",NA,"CCCC(CCC)NCC(C1=CC(=NC(=C1)C(F)(F)F)C2=CC=C(C=C2)C(F)(F)F)O.Cl","QLBJKEFNYVEYQF-UHFFFAOYSA-N",24198832,NA,"PDBC14950","305795","Present",NA,NA
+"14951","2-(Hydroxy(2-pyridinyl)methyl)-1-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxy(2-pyridinyl)methyl)-1-naphthol",NA,"C1=CC=C2C(=C1)C=CC(=C2O)C(C3=CC=CC=N3)O","UDTGAFTZSDENIN-UHFFFAOYSA-N",385591,NA,"PDBC14951","676888","Present",NA,NA
+"14952","2-(Hydroxy(2-pyridinyl)methyl)-6-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxy(2-pyridinyl)methyl)-6-methylphenol",NA,"CC1=C(C(=CC=C1)C(C2=CC=CC=N2)O)O","XXCYBTOXLYUXNZ-UHFFFAOYSA-N",385588,NA,"PDBC14952","676885","Present",NA,NA
+"14953","2-(Hydroxy(3-pyridinyl)methyl)-6-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxy(3-pyridinyl)methyl)-6-methylphenol",NA,"CC1=C(C(=CC=C1)C(C2=CN=CC=C2)O)O","ZYJUNHWGBALBJJ-UHFFFAOYSA-N",385589,NA,"PDBC14953","676886","Present",NA,NA
+"14954","2-(Hydroxy(4-pyridinyl)methyl)-6-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxy(4-pyridinyl)methyl)-6-methylphenol",NA,"CC1=C(C(=CC=C1)C(C2=CC=NC=C2)O)O","XRBYOMOZCCPWDQ-UHFFFAOYSA-N",385590,NA,"PDBC14954","676887","Present",NA,NA
+"14955","2-(Hydroxy(oxido)amino)-N-methyl-N-(2-methylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxy(oxido)amino)-N-methyl-N-(2-methylphenyl)benzenesulfonamide",NA,"CC1=CC=CC=C1N(C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","AUDKTWWKOVYGMN-UHFFFAOYSA-N",383169,NA,"PDBC14955","671282","Present",NA,NA
+"14956","2-(Hydroxy(oxido)amino)malonaldehyde bis(phenylhydrazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(3E)-2-Nitro-3-(phenylhydrazono)propylidene]amino]aniline",NA,"C1=CC=C(C=C1)NN=CC(C=NNC2=CC=CC=C2)[N+](=O)[O-]","IKQYBSBIBFKSHM-MAEUFBSDSA-N",9555885,NA,"PDBC14956","647126","Present",NA,NA
+"14957","2-(Hydroxy(oxido)amino)malonaldehyde disemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxy(oxido)amino)malonaldehyde disemicarbazone",NA,"C(=NNC(=O)N)C(C=NNC(=O)N)[N+](=O)[O-]","WATMTNNVMNHBNQ-OVGULLLQSA-N",9555892,NA,"PDBC14957","647261","Present",NA,NA
+"14958","2-(Hydroxy(phenyl)methyl)-1,3-dithiane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxy(phenyl)methyl)-1,3-dithiane-2-carboxylic acid",NA,"C1CSC(SC1)(C(C2=CC=CC=C2)O)C(=O)O","NFKSFBPBJJZFPH-UHFFFAOYSA-N",379024,NA,"PDBC14958","662786","Present",NA,NA
+"14959","2-(Hydroxyamino)-6-(hydroxymethyl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxyamino)-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"C(C1C(C(C(C(O1)NO)O)O)O)O","KXJMZHQGEGAKAK-UHFFFAOYSA-N",359621,NA,"PDBC14959","620680","Present",NA,NA
+"14960","2-(Hydroxyamino)cyclohexan-1-one oxime acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663917",NA,"CC(=O)O.C1CCC(=NO)C(C1)NO","RWPYLBIFODZUGF-PHZXCRFESA-N",6518155,NA,"PDBC14960","663917","Present",NA,NA
+"14961","2-(Hydroxyimino)-3-(p-nitrophenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC21438",NA,"C1=CC(=CC=C1CC(=NO)C(=O)O)[N+](=O)[O-]","FDYHTQWURRLKGH-NTMALXAHSA-N",6399047,NA,"PDBC14961","21438","Present",NA,NA
+"14962","2-(Hydroxyimino)-3-oxo-N-(2-phenylethyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxyimino)-3-oxo-N-(2-phenylethyl)butanamide",NA,"CC(=C(C(=O)NCCC1=CC=CC=C1)N=O)O","VGSQVAHACIEBRD-PKNBQFBNSA-N",135462465,NA,"PDBC14962","636335","Present",NA,NA
+"14963","2-(Hydroxyimino)-N-(2-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625639",NA,"CC1=CC=CC=C1NC(=O)C=NO","XLFBDBCQQNVKHU-UXBLZVDNSA-N",6871299,NA,"PDBC14963","625639","Present",NA,NA
+"14964","2-(Hydroxyimino)-N-(4-methoxyphenyl)-3-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxyimino)-N-(4-methoxyphenyl)-3-oxobutanamide",NA,"CC(=C(C(=O)NC1=CC=C(C=C1)OC)N=O)O","WOIYULAWMZQTKM-JXMROGBWSA-N",135510123,NA,"PDBC14964","636330","Present",NA,NA
+"14965","2-(Hydroxymethyl)-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-1'-methyl-2'-oxospiro[9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane-7,3'-indole]-4-carbonitrile",NA,"CN1C2=CC=CC=C2C3(C1=O)C4CC5C(CO4)C6C3C5(CN6C#N)CO","PFHIZEOQCBBUAK-UHFFFAOYSA-N",356177,NA,"PDBC14965","611260","Present",NA,NA
+"14966","2-(Hydroxymethyl)-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,7-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,7-diol",NA,"CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4O)N=C(N5C)CO)O","QXJRMVZZXNZISD-UHFFFAOYSA-N",135426677,NA,"PDBC14966","706842","Present",NA,NA
+"14967","2-(Hydroxymethyl)-5-[(2,5,6-trimethylpyrido[4,3-b]carbazol-2-ium-11-yl)methoxy]oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazolium, 11-[1-O-[(.alpha.-L- lyxofu...",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=CC=CC=C43)C)COC5C(C(C(O5)CO)O)O)C","ZNXXZAZGDYGHGN-UHFFFAOYSA-N",435657,NA,"PDBC14967","378695","Present",NA,NA
+"14968","2-(Hydroxymethyl)-5-[6-[(E)-2-hydroxy-2-phenylethenyl]purin-9-yl]oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-5-[6-[(E)-2-hydroxy-2-phenylethenyl]purin-9-yl]oxolane-3,4-diol",NA,"C1=CC=C(C=C1)C(=CC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)O","MHMCIRXDRBTNOZ-WUXMJOGZSA-N",135476744,NA,"PDBC14968","295272","Present",NA,NA
+"14969","2-(Hydroxymethyl)-5-imidazo[4,5-b]pyridin-3-yl-tetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-5-imidazo[4,5-b]pyridin-3-yl-tetrahydrofuran-3-ol",NA,"C1C(C(OC1N2C=NC3=C2N=CC=C3)CO)O","CFUZUDJNRCIKSC-UHFFFAOYSA-N",386995,NA,"PDBC14969","680305","Present",NA,NA
+"14970","2-(Hydroxymethyl)-5-phenyl-tetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Anhydro-2-deoxy-1-phenylpentitol",NA,"C1C(C(OC1C2=CC=CC=C2)CO)O","LVPXMPVIIAGLBC-UHFFFAOYSA-N",390386,NA,"PDBC14970","687741","Present",NA,NA
+"14971","2-(Hydroxymethyl)-5-purin-9-ylthiolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Thionebularine;9H-Purine, 9-(4-thio-.beta.-D-ribofuran...",NA,"C1=C2C(=NC=N1)N(C=N2)C3C(C(C(S3)CO)O)O","XSAOZILFHTWMEC-UHFFFAOYSA-N",155807913,NA,"PDBC14971","784615","Present",NA,NA
+"14972","2-(Hydroxymethyl)-6-(2-methyl-2-phenylhydrazinyl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-6-(2-methyl-2-phenylhydrazinyl)oxane-3,4,5-triol",NA,"CN(C1=CC=CC=C1)NC2C(C(C(C(O2)CO)O)O)O","HNTONMFUJPKAJO-UHFFFAOYSA-N",359627,NA,"PDBC14972","620686","Present",NA,NA
+"14973","2-(Hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]piperazin-1-yl]oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-6-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]piperazin-1-yl]oxane-3,4,5-triol",NA,"C1CN(CCN1C2C(C(C(C(O2)CO)O)O)O)C3C(C(C(C(O3)CO)O)O)O","AAHLQODCOIMLFS-UHFFFAOYSA-N",254138,NA,"PDBC14973","77963","Present",NA,NA
+"14974","2-(Hydroxymethyl)-6-[[(2R,10S)-7-hydroxy-2,6,6,10-tetramethyl-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-6-[[(2R,10S)-7-hydroxy-2,6,6,10-tetramethyl-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxane-3,4,5-triol",NA,"CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C","BNLZRGXSUIQLIM-MHIXYPINSA-N",6712252,NA,"PDBC14974","663006","Present",NA,NA
+"14975","2-(Hydroxymethyl)-6-[[25,26,27,28-tetrapropoxy-11,17,23-tris[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methoxy]oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC704558///NSC704559///NSC704560",NA,"CCCOC1=C2CC3=CC(=CC(=C3OCCC)CC4=C(C(=CC(=C4)COC5C(C(C(C(O5)CO)O)O)O)CC6=C(C(=CC(=C6)COC7C(C(C(C(O7)CO)O)O)O)CC1=CC(=C2)COC8C(C(C(C(O8)CO)O)O)O)OCCC)OCCC)COC9C(C(C(C(O9)CO)O)O)O","JVKUOZBZNZIYRI-UHFFFAOYSA-N",397157,NA,"PDBC14975","704558///704559///704560","Present",NA,NA
+"14976","2-(Hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydro-6H-furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-3-yl dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Furo[2',3',4,5]oxazolo[3,2-a]pyrimidine-2-methanol, 6...",NA,"C1=CN2C3C(C(C(O3)CO)OP(=O)(O)O)OC2=NC1=N","MHEIPMMGYDKOAW-UHFFFAOYSA-N",278767,NA,"PDBC14976","128687","Present",NA,NA
+"14977","2-(Hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-6-methoxy-3,6-dihydro-2H-pyran-3-ol",NA,"COC1C=CC(C(O1)CO)O","BDSSJXGPGYQORZ-UHFFFAOYSA-N",360943,NA,"PDBC14977","623657","Present",NA,NA
+"14978","2-(Hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-8-methyl-8-azabicyclo[3.2.1]octan-3-one",NA,"CN1C2CCC1C(C(=O)C2)CO","PPBREZWGIJWQDY-UHFFFAOYSA-N",401880,NA,"PDBC14978","715572","Present",NA,NA
+"14979","2-(Hydroxymethyl)benzo[1,2-b:5,4-b']bisthiophene-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxymethyl-4,8-dihydrobenzo[1,2-b:5,4-b']dithiophen...",NA,"C1=CSC2=C1C(=O)C3=C(C2=O)SC(=C3)CO","TWAZIKADPMNERA-UHFFFAOYSA-N",375903,NA,"PDBC14979","656240","Present",NA,NA
+"14980","2-(Hydroxymethyl)cyclopentanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis- and trans-2-Hydroxycyclopentanemethanol",NA,"C1CC(C(C1)O)CO","UADBLZFWTJHOJC-UHFFFAOYSA-N",364429,NA,"PDBC14980","630689","Present",NA,NA
+"14981","2-(ISOBORNYLOXY)-1,1-DIMETHYLETHYLAMINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(ISOBORNYLOXY)-1,1-DIMETHYLETHYLAMINE",NA,"CC1(C2CCC1(C(C2)OCC(C)(C)N)C)C","ZTZRQPXJOXZJCX-UHIISALHSA-N",219648,NA,"PDBC14981","1199","Present",NA,NA
+"14982","2-(Imidazolidin-2-ylidene)-1-(4-methoxyphenyl)ethan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Imidazolidin-2-ylidene)-1-(4-methoxyphenyl)ethan-1-one",NA,"COC1=CC=C(C=C1)C(=O)C=C2NCCN2","KMMOBWZLBOXOME-UHFFFAOYSA-N",359000,NA,"PDBC14982","619212","Present",NA,NA
+"14983","2-(Imino(phenyl)methyl)-N-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Imino(phenyl)methyl)-N-methylbenzenesulfonamide",NA,"CNS(=O)(=O)C1=CC=CC=C1C(=N)C2=CC=CC=C2","FEAMUAJBSQUFRM-UHFFFAOYSA-N",268248,NA,"PDBC14983","108399","Present",NA,NA
+"14984","2-(Iodomethyl)tetrahydrofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB24846",NA,"C1CC(OC1)CI","BMZJORGYEOQMFR-UHFFFAOYSA-N",364860,NA,"PDBC14984","631673","Present",NA,NA
+"14985","2-(Isopropylthio)-N-((2,2,5,5-tetramethylcyclopentyl)carbonyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Isopropylthio)-N-((2,2,5,5-tetramethylcyclopentyl)carbonyl)alanine",NA,"CC(C)SC(C)(C(=O)O)NC(=O)C1C(CCC1(C)C)(C)C","PKHBQPNTXYWSGR-UHFFFAOYSA-N",383830,NA,"PDBC14985","672447","Present",NA,NA
+"14986","2-(Isoquinolin-1-yl)-5-phenyl-4-sulfo-1h-pyrrole-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(isoquinolin-1-yl)-5-phenyl-4-sulfo-1H -pyrrole-3-carb...",NA,"C1=CC=C(C=C1)C2=C(C(=C(N2)C3=NC=CC4=CC=CC=C43)C(=O)O)S(=O)(=O)O","OYQDWWBFWUOBQY-UHFFFAOYSA-N",272344,NA,"PDBC14986","116654","Present",NA,NA
+"14987","2-(Methoxy(3-thienyl)methyl)-2-((3-thienylmethylene)amino)malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methoxy(3-thienyl)methyl)-2-((3-thienylmethylene)amino)malononitrile",NA,"COC(C1=CSC=C1)C(C#N)(C#N)N=CC2=CSC=C2","QMVSCORXLFKVFB-UHFFFAOYSA-N",386359,NA,"PDBC14987","678155","Present",NA,NA
+"14988","2-(Methoxyimino)-N-(1,3-thiazol-5-yl)-2-(2-(tritylamino)-1,3-thiazol-4-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methoxyimino)-N-(1,3-thiazol-5-yl)-2-(2-(tritylamino)-1,3-thiazol-4-yl)acetamide",NA,"CON=C(C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)NC5=CN=CS5","VNMSNUSYUSDUSP-IVQJCJPDSA-N",6393313,NA,"PDBC14988","660850","Present",NA,NA
+"14989","2-(Methoxymethyl)-3-methyl-1,3-oxazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methoxymethyl)-3-methyl-1,3-oxazolidine",NA,"CN1CCOC1COC","MQGFQFATLKONFD-UHFFFAOYSA-N",388444,NA,"PDBC14989","683370","Present",NA,NA
+"14990","2-(Methylamino)-4-oxo-6-(p-tolyl)-1,3-thiazine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylamino)-4-oxo-6-(p-tolyl)-1,3-thiazine-5-carbonitrile",NA,"CC1=CC=C(C=C1)C2=C(C(=O)N=C(S2)NC)C#N","CILOCOJLRPZLCR-UHFFFAOYSA-N",392000,NA,"PDBC14990","691794","Present",NA,NA
+"14991","2-(Methylamino)-N'-[(E,2E)-3-phenyl-2-propenylidene]benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-(methylamino)-, (3-phenyl-2-propenyliden...",NA,"CNC1=CC=CC=C1C(=O)NN=CC=CC2=CC=CC=C2","MTSBRDPBWBAJEY-CIOYMBLNSA-N",9615408,NA,"PDBC14991","205506","Present",NA,NA
+"14992","2-(Methylaminosulfonyl)-1-(2-naphthylsulfonyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylaminosulfonyl)-1-(2-naphthylsulfonyl)hydrazine",NA,"CNS(=O)(=O)NNS(=O)(=O)C1=CC2=CC=CC=C2C=C1","DSUUNLUKSHMDFN-UHFFFAOYSA-N",370401,NA,"PDBC14992","643500","Present",NA,NA
+"14993","2-(Methylaminosulfonyl)-1-(4-chlorophenylsulfonyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylaminosulfonyl)-1-(4-chlorophenylsulfonyl)hydrazine",NA,"CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Cl","GWNDHIFUQLAQNH-UHFFFAOYSA-N",367381,NA,"PDBC14993","637070","Present",NA,NA
+"14994","2-(Methylaminosulfonyl)-1-(4-methoxyphenylsulfonyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylaminosulfonyl)-1-(4-methoxyphenylsulfonyl)hydrazine",NA,"CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)OC","IKFNOHFAKGITJS-UHFFFAOYSA-N",367389,NA,"PDBC14994","637078","Present",NA,NA
+"14995","2-(Methylaminosulfonyl)-1-(4-methylphenylsulfonyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylaminosulfonyl)-1-(4-methylphenylsulfonyl)hydrazine",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)NC","PCYMMWQSEQUTEK-UHFFFAOYSA-N",367380,NA,"PDBC14995","637069","Present",NA,NA
+"14996","2-(Methylaminosulfonyl)-1-(phenylsulfonyl)hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylaminosulfonyl)-1-(phenylsulfonyl)hydrazine",NA,"CNS(=O)(=O)NNS(=O)(=O)C1=CC=CC=C1","PLJBELBHXISDDQ-UHFFFAOYSA-N",374533,NA,"PDBC14996","652284","Present",NA,NA
+"14997","2-(Methylanilino)-1,2-diphenylethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylanilino)-1,2-diphenylethanol",NA,"CN(C1=CC=CC=C1)C(C2=CC=CC=C2)C(C3=CC=CC=C3)O","LYCDYVURSXYADR-UHFFFAOYSA-N",281028,NA,"PDBC14997","133505","Present",NA,NA
+"14998","2-(Methylnitrosoamino)-1-thia-3,5,6a-triazapentalene-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methyl-nitroso-amino)imidazo[1,5-b][1,2,4]thiadiazole-7-carboxamide",NA,"CN(C1=NC2=C(N=CN2S1)C(=O)N)N=O","GMWDVAKOCTYPOH-UHFFFAOYSA-N",390992,NA,"PDBC14998","689300","Present",NA,NA
+"14999","2-(Methylsulfonyl)-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: ws1&1vr",NA,"CS(=O)(=O)CC(=O)C1=CC=CC=C1","CAUSPZIZBLGLKW-UHFFFAOYSA-N",19457,NA,"PDBC14999","51601","Present",NA,NA
+"15000","2-(Methylthio)-4,6-diphenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylthio)-4,6-diphenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one",NA,"CSC1=NC2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4","IISXIORBGJXQJV-UHFFFAOYSA-N",383357,NA,"PDBC15000","671471","Present",NA,NA
+"15001","2-(Methylthio)-5-(1,4,4-tris(5-(methylthio)-2-thienyl)-1,2,3-butatrienyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylthio)-5-(1,4,4-tris(5-(methylthio)-2-thienyl)-1,2,3-butatrienyl)thiophene",NA,"CSC1=CC=C(S1)C(=C=C=C(C2=CC=C(S2)SC)C3=CC=C(S3)SC)C4=CC=C(S4)SC","NQARROWNYYBWDD-UHFFFAOYSA-N",379092,NA,"PDBC15001","663305","Present",NA,NA
+"15002","2-(Methylthio)-5-(1-piperidinylsulfonyl)-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylthio)-5-(1-piperidinylsulfonyl)-1,3-benzothiazole",NA,"CSC1=NC2=C(S1)C=CC(=C2)S(=O)(=O)N3CCCCC3","BPGIMKFADWUVRN-UHFFFAOYSA-N",277465,NA,"PDBC15002","126347","Present",NA,NA
+"15003","2-(Methylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylthio)-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine",NA,"CSC1=NC2=NC3=C(CCCC3)C(=C2C(=N1)N)C4=CC=CC=C4","BOQFJPDDMQUCQW-UHFFFAOYSA-N",381057,NA,"PDBC15003","667076","Present",NA,NA
+"15004","2-(Methylthio)pteridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylthio)-4-pteridinol",NA,"CSC1=NC2=NC=CN=C2C(=O)N1","XGXBEYPTWXSMTE-UHFFFAOYSA-N",135406834,NA,"PDBC15004","650994","Present",NA,NA
+"15005","2-(Morpholin-4-yl)-4-oxo-4-phenylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_028526",NA,"C1COCCN1C(CC(=O)C2=CC=CC=C2)C(=O)O","DHQOIHCQRDTAFZ-UHFFFAOYSA-N",288825,NA,"PDBC15005","150169","Present",NA,NA
+"15006","2-(Morpholin-4-ylmethyl)-5-propan-2-ylidenecyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-(1-methylethylidene)-5-(4-morpholinyl-...",NA,"CC(=C1CCC(C1=O)CN2CCOCC2)C.Cl","CEWDGQWYMRDUIT-UHFFFAOYSA-N",368458,NA,"PDBC15006","639507","Present",NA,NA
+"15007","2-(Morpholin-4-ylmethyl)cyclododecan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657306",NA,"C1CCCCCC(=O)C(CCCC1)CN2CCOCC2.Cl","NMHXLYRLUUDWDU-UHFFFAOYSA-N",376399,NA,"PDBC15007","657306","Present",NA,NA
+"15008","2-(Morpholinoacetylamino)-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Morpholinoacetylamino)-4-thiazolecarboxylic acid ethyl ester",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCOCC2","OUZJOZIOHBRFRG-UHFFFAOYSA-N",396823,NA,"PDBC15008","703827","Present",NA,NA
+"15009","2-(N,N-Bis(2-bromoethyl)amino)fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Fluoren-2-amine, N,N-bis(2-bromoethyl)- (9CI)",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)N(CCBr)CCBr","WXJPSQUPGYKDNY-UHFFFAOYSA-N",241801,NA,"PDBC15009","142543","Present",NA,NA
+"15010","2-(N-(2-Aminophenyl)sulfonylanilino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(N-(2-Aminophenyl)sulfonylanilino)acetic acid",NA,"C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2N","PBVFSYZZJQCMJZ-UHFFFAOYSA-N",362724,NA,"PDBC15010","626979","Present",NA,NA
+"15011","2-(N-(2-Nitrophenyl)sulfonylanilino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_011403",NA,"C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","ZMUWEJOPTWSFKR-UHFFFAOYSA-N",362728,NA,"PDBC15011","626983","Present",NA,NA
+"15012","2-(N-(3-Nitrophenyl)sulfonylanilino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(N-(3-Nitrophenyl)sulfonylanilino)acetic acid",NA,"C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]","MRVHYDCQEQXHKD-UHFFFAOYSA-N",362729,NA,"PDBC15012","626984","Present",NA,NA
+"15013","2-(N-(4-Benzamidophenyl)sulfonylanilino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(N-(4-Benzamidophenyl)sulfonylanilino)acetic acid",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CC(=O)O)C3=CC=CC=C3","ONFGSVXSCSLFIA-UHFFFAOYSA-N",362837,NA,"PDBC15013","627208","Present",NA,NA
+"15014","2-(N-(4-Nitrophenyl)sulfonylanilino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(N-(4-Nitrophenyl)sulfonylanilino)acetic acid",NA,"C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","HWQIGAIPJKUDSF-UHFFFAOYSA-N",362730,NA,"PDBC15014","626985","Present",NA,NA
+"15015","2-(N-Cyclohexylethanimidoyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(N-Cyclohexylethanimidoyl)phenol",NA,"CC(=NC1CCCCC1)C2=CC=CC=C2O","ZCCKPCBSASQBNL-UHFFFAOYSA-N",274711,NA,"PDBC15015","120917","Present",NA,NA
+"15016","2-(N-Methyl-1-naphthylamino)-2-oxazoline, hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663637",NA,"CN(C1=CC=CC2=CC=CC=C21)C3=NCCO3.Br","ADUOLJCEVGVLME-UHFFFAOYSA-N",379222,NA,"PDBC15016","663637","Present",NA,NA
+"15017","2-(N-Pyrrolidine)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(N-pyrrolidine)naphthazarin",NA,"C1CCN(C1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O","IZZJLVGJAPZDGZ-UHFFFAOYSA-N",438714,NA,"PDBC15017","663288","Present",NA,NA
+"15018","2-(Naphthalen-1-yl)-1H-1,3-benzodiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE35323",NA,"C1=CC=C2C(=C1)C=CC=C2C3=NC4=CC=CC=C4N3","PAOHHYDZFURJKA-UHFFFAOYSA-N",286183,NA,"PDBC15018","144033","Present",NA,NA
+"15019","2-(Naphthalen-1-yl)-2,3-dihydroquinazolin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1h)-quinazolinone, 2,3-dihydro-2-(1-naphthyl)- (8ci)",NA,"C1=CC=C2C(=C1)C=CC=C2C3NC4=CC=CC=C4C(=O)N3","XKEIBCWTOUEGSH-UHFFFAOYSA-N",286701,NA,"PDBC15019","145669","Present",NA,NA
+"15020","2-(Naphthalen-1-ylmethyl)imidazolidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC320217",NA,"C1CNC(N1)CC2=CC=CC3=CC=CC=C32.Cl","CZQLRENTGLAZMZ-UHFFFAOYSA-N",24199276,NA,"PDBC15020","320217","Present",NA,NA
+"15021","2-(Naphthalen-2-yl)-1,2-dihydroquinazolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK382844",NA,"C1=CC=C2C=C(C=CC2=C1)C3NC4=CC=CC=C4C(=O)N3","FPWOVEKUXZJCTE-UHFFFAOYSA-N",292561,NA,"PDBC15021","158390","Present",NA,NA
+"15022","2-(Naphthalen-2-ylamino)-1,2-diphenylethanone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC34924",NA,"C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)NC3=CC4=CC=CC=C4C=C3.Cl","IZNDWVAIDUBUNL-UHFFFAOYSA-N",24184589,NA,"PDBC15022","34924","Present",NA,NA
+"15023","2-(Naphthalene-1-sulfonylimino)-imidazolidine-1-carbodithioi c acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Naphthalene-1-sulfonylimino)-imidazolidine-1-carbodit...",NA,"C1CN(C(=N1)NS(=O)(=O)C2=CC=CC3=CC=CC=C32)C(=S)SN4CCN5C4=NSC5=S","FAHLYZHSAIWBKO-UHFFFAOYSA-N",24205508,NA,"PDBC15023","736063","Present",NA,NA
+"15024","2-(Neopentylamino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE51905",NA,"CC(C)(C)CNCCO","MTPDACKXWMOHEB-UHFFFAOYSA-N",244282,NA,"PDBC15024","55114","Present",NA,NA
+"15025","2-(Nitromethyl)cyclohept-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Nitromethyl)-2-cyclohepten-1-one",NA,"C1CCC(=O)C(=CC1)C[N+](=O)[O-]","QKCZSBAMWCUNSI-UHFFFAOYSA-N",11095045,NA,"PDBC15025","742884","Present",NA,NA
+"15026","2-(Octadecyloxy)-1,3,2-dioxaphospholane 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Octadecyl-2-oxo-1,3-dioxophospholane",NA,"CCCCCCCCCCCCCCCCCCOP1(=O)OCCO1","VZEOMTOGOOFQRF-UHFFFAOYSA-N",392102,NA,"PDBC15026","691969","Present",NA,NA
+"15027","2-(Octanoyloxy)-1-((octyloxy)methyl)ethyl octanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-octanoyloxy-3-octoxy-propyl) octanoate",NA,"CCCCCCCCOCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC","RMXJSOADKNKNFK-UHFFFAOYSA-N",372444,NA,"PDBC15027","647558","Present",NA,NA
+"15028","2-(Oxan-2-yl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tetrahydropyran-2-yl-1H-benzoimidazole",NA,"C1CCOC(C1)C2=NC3=CC=CC=C3N2","HVNSCLHOKBTGEE-UHFFFAOYSA-N",388065,NA,"PDBC15028","682530","Present",NA,NA
+"15029","2-(P-Dimethylaminostyryl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN:  T56 BN DSJ C1U1R DN1&1",NA,"CN(C)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3S2","MVMOMSLTZMMLJR-FMIVXFBMSA-N",5378081,NA,"PDBC15029","402471","Present",NA,NA
+"15030","2-(Para-hydroxyphenyl)-1-[(6,4-dihydro-5H-1,3,4-benzotriazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(para-hydroxyphenyl)-1-[(6,7-dimethoxy-2-(2-thienyl)-4...",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4C5=CC=CC=C5C(=O)NN=C4C6=CC=C(C=C6)O)OC","NPWWVXMIBUVTPP-UHFFFAOYSA-N",405784,NA,"PDBC15030","723427","Present",NA,NA
+"15031","2-(Para-methoxyphenyl)-1-[(6,4-dihydro-5H-1,3,4-benzotriazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(para-methoxyphenyl)-1-[(6,7-dimethoxy-2-(2-thienyl)-4...",NA,"COC1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C3N2C4=NC(=NC5=CC(=C(C=C54)OC)OC)C6=CC=CS6","KZLCUJAWTQUCAR-UHFFFAOYSA-N",405786,NA,"PDBC15031","723429","Present",NA,NA
+"15032","2-(Pentylamino)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Pentylamino)naphthalene-1,4-dione",NA,"CCCCCNC1=CC(=O)C2=CC=CC=C2C1=O","UOBLFRLQZGPHNC-UHFFFAOYSA-N",386100,NA,"PDBC15032","677732","Present",NA,NA
+"15033","2-(Phenethylamino)-2-phenyl-acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-RL004655",NA,"C1=CC=C(C=C1)CCNC(C#N)C2=CC=CC=C2","UFTCLJPFCVHRNP-UHFFFAOYSA-N",363989,NA,"PDBC15033","629607","Present",NA,NA
+"15034","2-(Phenethylamino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenethylglycine",NA,"C1=CC=C(C=C1)CCNCC(=O)O","UHNMIDKSDRGICN-UHFFFAOYSA-N",242245,NA,"PDBC15034","50603","Present",NA,NA
+"15035","2-(Phenethylthio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_005416",NA,"C1=CC=C(C=C1)CCSCC(=O)O","KLWBFPUIFBSIJV-UHFFFAOYSA-N",292540,NA,"PDBC15035","158362","Present",NA,NA
+"15036","2-(Phenoxymethyl)-5-[8-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Phenoxymethyl)-5-[8-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole",NA,"C1=CC=C(C=C1)OCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)COC4=CC=CC=C4","GVGJLPSKXHDGIR-UHFFFAOYSA-N",394036,NA,"PDBC15036","697154","Present",NA,NA
+"15037","2-(Phenylcarbamoyl)bicyclo[2.2.1]hepta-2,5-diene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Phenylcarbamoyl)bicyclo[2.2.1]hepta-2,5-diene-3-carboxylic acid",NA,"C1C2C=CC1C(=C2C(=O)NC3=CC=CC=C3)C(=O)O","JGEIUKKXIXCBQA-UHFFFAOYSA-N",365376,NA,"PDBC15037","632984","Present",NA,NA
+"15038","2-(Phenylformamido)pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635556",NA,"C1=CC=C(C=C1)C(=O)NC(CCC(=O)O)C(=O)O","LPJXPACOXRZCCP-UHFFFAOYSA-N",111218,NA,"PDBC15038","635556","Present",NA,NA
+"15039","2-(Phenylsulfonyl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-27606",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=NC=CS2","NKGOOHPKFAKZCJ-UHFFFAOYSA-N",370023,NA,"PDBC15039","642591","Present",NA,NA
+"15040","2-(Phenylsulfonyl)cyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB-337/13036015",NA,"C1CCC(=O)C(C1)S(=O)(=O)C2=CC=CC=C2","HGTMWGONPUDGMF-UHFFFAOYSA-N",357759,NA,"PDBC15040","617280","Present",NA,NA
+"15041","2-(Phenylthio)cyclopropanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Phenylthio)cyclopropanol",NA,"C1C(C1SC2=CC=CC=C2)O","JTUPWHGXVRCHAG-UHFFFAOYSA-N",361792,NA,"PDBC15041","625064","Present",NA,NA
+"15042","2-(Piperidin-1-ylmethyl)-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Piperidin-1-ylmethyl)-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione",NA,"C1CCN(CC1)CN2C(=O)C3CC4=CC=CC=C4CN3C2=O","JOXGDXPHRUSJGU-UHFFFAOYSA-N",372520,NA,"PDBC15042","647654","Present",NA,NA
+"15043","2-(Piperidin-1-ylmethyl)cyclododecan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656286",NA,"C1CCCCCC(=O)C(CCCC1)CN2CCCCC2.Cl","SRKVMGLOWZGKEJ-UHFFFAOYSA-N",375939,NA,"PDBC15043","656286","Present",NA,NA
+"15044","2-(Piperidinomethyl)-4-phenyl-6-chloroquinoline-3-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-4-phenyl-2-(pyperidilmethyl)-quinolin 3-ethylca...",NA,"CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1CN3CCCCC3)C4=CC=CC=C4","MQRZCWJGUPUBOJ-UHFFFAOYSA-N",16095336,NA,"PDBC15044","737759","Present",NA,NA
+"15045","2-(Prop-2-ynylamino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propargyl-glycine",NA,"C#CCNCC(=O)O","XSJLQGMTIHCDSS-UHFFFAOYSA-N",185909,NA,"PDBC15045","692226","Present",NA,NA
+"15046","2-(Propanoylamino)hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Propanoylamino)hexanoic acid",NA,"CCCCC(C(=O)O)NC(=O)CC","ZRHYJMJQIXVVRD-UHFFFAOYSA-N",321161,NA,"PDBC15046","270575","Present",NA,NA
+"15047","2-(Pyridin-2-yloxy)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WT1261",NA,"C1=CC=NC(=C1)OCCN","TUVONOFKFDJHBJ-UHFFFAOYSA-N",96890,NA,"PDBC15047","91884","Present",NA,NA
+"15048","2-(Pyridin-3-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Pyridin-3-ylmethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-3-carboxylic acid",NA,"C1CC2C(C(C1O2)C(=O)NCC3=CN=CC=C3)C(=O)O","XDGFRUCYWYGAAJ-UHFFFAOYSA-N",240657,NA,"PDBC15048","47085","Present",NA,NA
+"15049","2-(Pyridin-4-yl)quinoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5542580",NA,"C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=NC=C3)C(=O)O","IBXRRNLSWGROLA-UHFFFAOYSA-N",26587,NA,"PDBC15049","360211","Present",NA,NA
+"15050","2-(Pyridin-4-ylmethylamino)-3,7-dihydropurin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Pyridylmethylamino)-9H-purin-6-ol",NA,"C1=CN=CC=C1CNC2=NC3=C(C(=O)N2)NC=N3","MGNNDZGIYNGAFW-UHFFFAOYSA-N",135440026,NA,"PDBC15050","682526","Present",NA,NA
+"15051","2-(Pyrrolidin-1-ylmethyl)cyclododecan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665623",NA,"C1CCCCCC(=O)C(CCCC1)CN2CCCC2.Cl","LWHYNHZUEQSJLI-UHFFFAOYSA-N",380176,NA,"PDBC15051","665623","Present",NA,NA
+"15052","2-(Pyrrolidin-1-ylmethyl)cyclohexan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656284",NA,"C1CCC(=O)C(C1)CN2CCCC2.Cl","CUQYBMLDXAHZAZ-UHFFFAOYSA-N",375935,NA,"PDBC15052","656284","Present",NA,NA
+"15053","2-(Pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670689",NA,"C1CCN(C1)CC2CCCC2=O.Cl","ZRZXMGGJYZABAD-UHFFFAOYSA-N",382861,NA,"PDBC15053","670689","Present",NA,NA
+"15054","2-(Pyrrolizinoacetylamino)-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(2-pyrrolidin-1-ylacetyl)amino]thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCCC2","WOZOOEFCYCLRNT-UHFFFAOYSA-N",396821,NA,"PDBC15054","703825","Present",NA,NA
+"15055","2-(Spiro[1,3-dithiolane-2,9'-fluorene]-2'-carbonyloxy)ethyl spiro[1,3-dithiolane-2,9'-fluorene]-2'-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(spiro[1,3-dithiolane-2,9'-fluorene]-2'-carbonyloxy)ethyl spiro[1,3-dithiolane-2,9'-fluorene]-2'-carboxylate",NA,"C1CSC2(S1)C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)OCCOC(=O)C5=CC6=C(C=C5)C7=CC=CC=C7C68SCCS8","MNWHMPMWJCFHCK-UHFFFAOYSA-N",370615,NA,"PDBC15055","643906","Present",NA,NA
+"15056","2-(Succinimidomethylamino)phenoxathiin-10,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[(10,10-Dioxophenoxathiin-2-yl)amino]methyl]pyrrolidine-2,5-dione",NA,"C1CC(=O)N(C1=O)CNC2=CC3=C(C=C2)OC4=CC=CC=C4S3(=O)=O","XZPAPDGLTFCOTI-UHFFFAOYSA-N",398019,NA,"PDBC15056","707092","Present",NA,NA
+"15057","2-(Tert-Butylhydrazono)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-N-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(Tert-butylhydrazinylidene)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)acetamide",NA,"CC(C)(C)NN=C(C1C(=O)NC2=CC=CC=C2S1=O)C(=O)NC3=NC(=S)NN3","OXMMNWQZXAMBFO-JMIUGGIZSA-N",9571317,NA,"PDBC15057","642029","Present",NA,NA
+"15058","2-(Tert-Butylhydrazono)-3-(6-chloro-3-hydroxy-2-quinoxalinyl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(Tert-butylhydrazinylidene)-3-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)propanamide",NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=NNC(C)(C)C)CC3=NC4=C(C=C(C=C4)Cl)NC3=O","RWRBAWAXICDQAB-MIXAMLLLSA-N",6082509,NA,"PDBC15058","649555","Present",NA,NA
+"15059","2-(Tert-Butylhydrazono)-N-(2,3-dimethoxyphenyl)-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-4-oxo-6-phenylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(Tert-butylhydrazinylidene)-N-(2,3-dimethoxyphenyl)-6-(4-hydroxy-2-oxochromen-3-yl)-4-oxo-6-phenylhexanamide",NA,"CC(C)(C)NN=C(CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)NC4=C(C(=CC=C4)OC)OC","XQECGQAQTMTMKK-CKWSZQMZSA-N",54688600,NA,"PDBC15059","646368","Present",NA,NA
+"15060","2-(Tert-Butylhydrazono)-N-(2,3-dimethylphenyl)-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Tert-Butylhydrazono)-N-(2,3-dimethylphenyl)-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide",NA,"CC1=C(C(=CC=C1)NC(=O)C(=NNC(C)(C)C)C2C(=O)NC(=S)N2)C","QOJBXSBNNISEPK-BKUYFWCQSA-N",9571338,NA,"PDBC15060","646367","Present",NA,NA
+"15061","2-(Tert-Butylhydrazono)-N-(2,4-dimethoxyphenyl)-3-(7-hydroxy-2-oxo-2H-chromen-4-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Tert-Butylhydrazono)-N-(2,4-dimethoxyphenyl)-3-(7-hydroxy-2-oxo-2H-chromen-4-yl)propanamide",NA,"CC(C)(C)NN=C(CC1=CC(=O)OC2=C1C=CC(=C2)O)C(=O)NC3=C(C=C(C=C3)OC)OC","CIGRQOQEUYOPIT-XHPQRKPJSA-N",9571290,NA,"PDBC15061","641422","Present",NA,NA
+"15062","2-(Tert-Butylhydrazono)-N-(3,4-dimethylphenyl)-3-(7-hydroxy-2-oxo-2H-chromen-4-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Tert-Butylhydrazono)-N-(3,4-dimethylphenyl)-3-(7-hydroxy-2-oxo-2H-chromen-4-yl)propanamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=NNC(C)(C)C)CC2=CC(=O)OC3=C2C=CC(=C3)O)C","JALQXZMZIVLIJV-QOMWVZHYSA-N",5871846,NA,"PDBC15062","649554","Present",NA,NA
+"15063","2-(Tert-Butylhydrazono)-N-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-(1,1-dioxido-2,5-dihydro-2-thienyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(Tert-butylhydrazinylidene)-N-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-(1,1-dioxo-2,5-dihydrothiophen-2-yl)acetamide",NA,"CC(C)(C)NN=C(C1C=CCS1(=O)=O)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","JRLARNMLECNTMH-HAHDFKILSA-N",9571372,NA,"PDBC15063","649576","Present",NA,NA
+"15064","2-(Tert-Butylhydrazono)-N-(3-chlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(Tert-butylhydrazinylidene)-N-(3-chlorophenyl)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)acetamide",NA,"CC(C)(C)NN=C(C1C(=O)NC2=CC=CC=C2S1=O)C(=O)NC3=CC(=CC=C3)Cl","KSWKGVYHVCOOAY-JLPGSUDCSA-N",9571347,NA,"PDBC15064","646811","Present",NA,NA
+"15065","2-(Tert-Butylhydrazono)-N-(4-chloro-2-methylphenyl)-3-cyano-3-(4-(4-(hydroxy(oxido)amino)phenyl)-1,3-thiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(Tert-butylhydrazinylidene)-N-(4-chloro-2-methylphenyl)-3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=NNC(C)(C)C)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)[N+](=O)[O-]","BAANCNSHMRIDJD-ANYBSYGZSA-N",9571345,NA,"PDBC15065","646801","Present",NA,NA
+"15066","2-(Tert-Butylhydrazono)-N-(4-ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-2-(Tert-butylhydrazinylidene)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)-N-(4-ethoxyphenyl)acetamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=NNC(C)(C)C)C2C(=O)NC3=CC=CC=C3S2=O","ORMFPHAIBARLKU-BWAHOGKJSA-N",9571364,NA,"PDBC15066","648634","Present",NA,NA
+"15067","2-(Tetrahydrofuran-2-yl)-2h-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Tetrahydrofuran-2-yl)-2h-benzotriazole",NA,"C1CC(OC1)N2N=C3C=CC=CC3=N2","JFDIFIZRTODRQX-UHFFFAOYSA-N",388086,NA,"PDBC15067","682549","Present",NA,NA
+"15068","2-(Thiophen-2-ylmethyl)propanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-42417",NA,"C1=CSC(=C1)CC(C(=O)O)C(=O)O","PGGOEUVKDHKGKQ-UHFFFAOYSA-N",236591,NA,"PDBC15068","39209","Present",NA,NA
+"15069","2-(Toluene-4-sulfonylimino)-imidazolidine-1-carbodithioic acid 3-thioxo-5,1-c][1,2,4]thiadiazol-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Toluene-4-sulfonylimino)-imidazolidine-1-carbodithioi...",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=NCCN2C(=S)SN3CCN4C3=NSC4=S","UTMMGDYTYRXGIE-UHFFFAOYSA-N",24205507,NA,"PDBC15069","736062","Present",NA,NA
+"15070","2-(Triazol-1-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5160AJ",NA,"C1=CN(N=N1)CC(=O)NN","LACAXGGJCCJQOP-UHFFFAOYSA-N",386624,NA,"PDBC15070","679078","Present",NA,NA
+"15071","2-(Tribromomethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T66 BN ENJ CXEEE",NA,"C1=CC=C2C(=C1)N=CC(=N2)C(Br)(Br)Br","VCCOPRMZNNMFLI-UHFFFAOYSA-N",96377,NA,"PDBC15071","71311","Present",NA,NA
+"15072","2-(Trichloromethyl)-2H,4H-3,1-benzoxathiin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Trichloromethyl)-2H,4H-3,1-benzoxathiin-4-one",NA,"C1=CC=C2C(=C1)C(=O)OC(S2)C(Cl)(Cl)Cl","ZFQCFEFNRZUXLP-UHFFFAOYSA-N",348044,NA,"PDBC15072","407072","Present",NA,NA
+"15073","2-(Tridecylsulfonylamino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Tridecylsulfonylamino)acetamide",NA,"CCCCCCCCCCCCCS(=O)(=O)NCC(=O)N","HFEPOWGIAHOCPZ-UHFFFAOYSA-N",368414,NA,"PDBC15073","639417","Present",NA,NA
+"15074","2-(Trifluoromethyl)benzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Trifluoromethyl)benzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine",NA,"C1=CC=C2C(=C1)N=C3N2C(=NC4=C(S3)C=CC(=C4)C(F)(F)F)N","MDBMSKHVSJETMQ-UHFFFAOYSA-N",383194,NA,"PDBC15074","671313","Present",NA,NA
+"15075","2-(Tritylamino)-N-[2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Tritylamino)-N-[2-[[2-(tritylamino)acetyl]amino]cyclohexyl]acetamide",NA,"C1CCC(C(C1)NC(=O)CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CNC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","ZZKCTZWBXPGUEP-UHFFFAOYSA-N",384597,NA,"PDBC15075","674609","Present",NA,NA
+"15076","2-(Tritylthio)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-tritylcysteamine",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCCN","XZOWICPSVWHCTC-UHFFFAOYSA-N",262764,NA,"PDBC15076","96704","Present",NA,NA
+"15077","2-([1,3]Dithiolo[4,5-b][1,4]benzodithiin-2-ylidene)-[1,3]dithiolo[4,5-b][1,4]benzodithiine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-([1,3]Dithiolo[4,5-b][1,4]benzodithiin-2-ylidene)-[1,3]dithiolo[4,5-b][1,4]benzodithiine",NA,"C1=CC=C2C(=C1)SC3=C(S2)SC(=C4SC5=C(S4)SC6=CC=CC=C6S5)S3","DMGYONZRUJKUSZ-UHFFFAOYSA-N",392909,NA,"PDBC15077","694091","Present",NA,NA
+"15078","2-(allyl[?]yl)sulfanylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(allyl[?]yl)sulfanylpyridine",NA,"C=CCC1(SC2=C(C3=CC=CC=C3C=C2)C4=C(S1)C=CC5=CC=CC=C54)SC6=CC=CC=N6","UMQNVHSACBSHET-UHFFFAOYSA-N",379728,NA,"PDBC15078","664702","Present",NA,NA
+"15079","2-(alpha,alpha-Dimethylphenethylamino)-2-oxazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-103408",NA,"CC(C)(CC1=CC=CC=C1)NC2=NCCO2","APRQMFJISQQHOT-UHFFFAOYSA-N",379603,NA,"PDBC15079","664305","Present",NA,NA
+"15080","2-(alpha-Cyclopropylbenzylamino)-2-oxazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-43319",NA,"C1CC1C(C2=CC=CC=C2)NC3=NCCO3","RSESMLXPRYZMST-UHFFFAOYSA-N",37122,NA,"PDBC15080","664300","Present",NA,NA
+"15081","2-(alpha-Ethyl-2-thenylamino)-2-oxazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-149336",NA,"CCC(C1=CC=CS1)NC2=NCCO2","ANMFSKZAOMFWOH-UHFFFAOYSA-N",215268,NA,"PDBC15081","664304","Present",NA,NA
+"15082","2-(alpha-Hydroxyaminobenzyl)-6-benzylidenecyclohexanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634781",NA,"C1CC(C(=NO)C(=CC2=CC=CC=C2)C1)C(C3=CC=CC=C3)NO","ZRUMPUDVEPDHPW-WRFDHCQQSA-N",5897934,NA,"PDBC15082","634781","Present",NA,NA
+"15083","2-(alpha-Hydroxybenzyl)-5-aminooxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[hydroxy(phenyl)methyl]-1,3-oxazole-4-carbonitrile",NA,"C1=CC=C(C=C1)C(C2=NC(=C(O2)N)C#N)O","PMXZAJNVNWVONL-UHFFFAOYSA-N",389106,NA,"PDBC15083","684791","Present",NA,NA
+"15084","2-(alpha-Methyl-2-thenylamino)-2-oxazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-149347",NA,"CC(C1=CC=CS1)NC2=NCCO2","JCTNPWVURHOJTC-UHFFFAOYSA-N",215273,NA,"PDBC15084","664192","Present",NA,NA
+"15085","2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid N(^pi)-methylhistamine amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(3-Methylbut-2-enoyl)-1H-indol-3-yl]-N-[2-(3-methylimidazol-4-yl)ethyl]acetamide",NA,"CC(=CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN=CN3C)C","ROAWEXKBHFUENU-UHFFFAOYSA-N",398076,NA,"PDBC15085","707441","Present",NA,NA
+"15086","2-(beta,beta-Dimethylacryloyl)-indole-3-acetic acid N(^tau)-tritylhistamine amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(3-Methylbut-2-enoyl)-1H-indol-3-yl]-N-[2-(1-tritylimidazol-4-yl)ethyl]acetamide",NA,"CC(=CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN(C=N3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C","XPTZUSQDKZKTMO-UHFFFAOYSA-N",398074,NA,"PDBC15086","707439","Present",NA,NA
+"15087","2-(beta-D-Ribofuanosyl)-thiazole-4-methylamidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(.beta.-D-ribofuanosyl)-thiazole-4-methylamidate",NA,"COC(=N)C1=CSC(=N1)C2C(C(C(O2)CO)O)O","ZWHJLJBFDVMAJQ-UHFFFAOYSA-N",363832,NA,"PDBC15087","629050","Present",NA,NA
+"15088","2-(beta-D-Ribofuranosyl)-thiazole-4-(1,5,6-tetrahydropyrimidine) hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(.beta.-D-ribofuranosyl)-thiazole-4-(1,4,5,6-tetrahydr...",NA,"C1CNC(=NC1)C2=CSC(=N2)C3C(C(C(O3)CO)O)O.Cl","INTRZWQMLUKOCR-UHFFFAOYSA-N",363833,NA,"PDBC15088","629051","Present",NA,NA
+"15089","2-(beta-D-Ribofuranosyl)-thiazole-4-carboxamidine-N-(4'-carboxybutyramide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(.beta.-D-ribofuranosyl)-thiazole-4-carboxamidine-N-(4...",NA,"C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=NC(CCC(=O)N)C(=O)O)N","QTKAARGJGBDBPM-UHFFFAOYSA-N",363835,NA,"PDBC15089","629052","Present",NA,NA
+"15090","2-(beta-D-Ribofuranosyl)thiazole-4-carboxamidine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(.beta.-D-Ribofuranosyl)thiazole-4-carboxamidine hydro...",NA,"C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=N)N.Cl","DBHADXYMWYBOQI-UHFFFAOYSA-N",362945,NA,"PDBC15090","627417","Present",NA,NA
+"15091","2-(m-Dimethylaminoanilino)-2-oxazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-105857",NA,"CN(C)C1=CC=CC(=C1)NC2=NCCO2","CORXVKVPRFOTID-UHFFFAOYSA-N",379454,NA,"PDBC15091","664006","Present",NA,NA
+"15092","2-(m-Nitrostyryl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(m-Nitrostyryl)pyridine",NA,"C1=CC=NC(=C1)C=CC2=CC(=CC=C2)[N+](=O)[O-]","NFTQPJVUAHNPTC-BQYQJAHWSA-N",5376493,NA,"PDBC15092","19637","Present",NA,NA
+"15093","2-(p-Aminophenyl)-5-methyltriazolo[3,4-b]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(p-Aminophenyl)-5-methyltriazolo[3,4-b]thiadiazole",NA,"CC1=NN=C2N1N=C(S2)C3=CC=C(C=C3)N","GSZZPZBMJBFRPF-UHFFFAOYSA-N",405797,NA,"PDBC15093","723449","Present",NA,NA
+"15094","2-(p-Chloroanilino)-4-hydroxycyclopent-2-enone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HOWZFOFUOIGPRL-UHFFFAOYSA-N",NA,"C1C(C=C(C1=O)NC2=CC=C(C=C2)Cl)O","HOWZFOFUOIGPRL-UHFFFAOYSA-N",359314,NA,"PDBC15094","620077","Present",NA,NA
+"15095","2-(p-Chlorobenzene sulfonlyl)-L-glutamic acid hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(p-Chlorobenzene sulfonlyl)-L-glutamic acid hydrazide",NA,"C1=CC(=CC=C1S(=O)(=O)NC(CCC(=O)NN)C(=O)NN)Cl","HDCAQSOZZDTFEQ-UHFFFAOYSA-N",388353,NA,"PDBC15095","683237","Present",NA,NA
+"15096","2-(p-Dimethylaminostyryl)-1-methylnaphtho(1,2-d)thiazolium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t b566 ck esj c1 d1u1r dn1&1 &i",NA,"C[N+]1=C(SC2=C1C3=CC=CC=C3C=C2)C=CC4=CC=C(C=C4)N(C)C.[I-]","IKAPOHKDZVIPFQ-UHFFFAOYSA-M",6433478,NA,"PDBC15096","5551","Present",NA,NA
+"15097","2-(p-Methoxyphenyl)-3-methyloxazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100423",NA,"CN1CCOC1C2=CC=C(C=C2)OC","OVBXBCAOXQPBDJ-UHFFFAOYSA-N",217951,NA,"PDBC15097","683373","Present",NA,NA
+"15098","2-(p-Toluene sulfonyl)-L-glutamic acid hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(p-Toluene sulfonyl)-L-glutamic acid hydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NN)C(=O)NN","ZAPVQEQGHDKANZ-UHFFFAOYSA-N",388354,NA,"PDBC15098","683238","Present",NA,NA
+"15099","2-(p-Toluene sulfonyl)-L-glutamic acid phenyl hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(p-Toluene sulfonyl)-L-glutamic acid phenyl hydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NNC2=CC=CC=C2)C(=O)NNC3=CC=CC=C3","WUSZCROEPZAEDE-UHFFFAOYSA-N",388355,NA,"PDBC15099","683239","Present",NA,NA
+"15100","2-(p-Toluenesulfonamido)-1,3,4-thiadiazole-5-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-150305",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","FNICBGZPBTURDA-UHFFFAOYSA-N",394904,NA,"PDBC15100","698996","Present",NA,NA
+"15101","2-(p-Toluenesulfonyloxy)acetic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE38634",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)O","NSORSORRXHLKQV-UHFFFAOYSA-N",226266,NA,"PDBC15101","16555","Present",NA,NA
+"15102","2-(p-Tolylsulfinyl)thiophene-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(p-Tolylsulfinyl)thiophene-3-carbaldehyde",NA,"CC1=CC=C(C=C1)S(=O)C2=C(C=CS2)C=O","NWDBKSUFMZMQPR-UHFFFAOYSA-N",387527,NA,"PDBC15102","681437","Present",NA,NA
+"15103","2-(p-Tolylsulfonylcarbamoylamino)butanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(p-Tolylsulfonylcarbamoylamino)butanedioic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC(=O)O)C(=O)O","XCCCHWVAGMKVEQ-UHFFFAOYSA-N",396487,NA,"PDBC15103","702671","Present",NA,NA
+"15104","2-({(2Z)-2-[2-Hydroxy-1-(6-nitro-3-oxo-3,4-dihydroquinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]hydrazino} carbonyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[2-Hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]-2-sulfamoylbenzamide",NA,"C1=CC=C(C(=C1)C(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=C(C=C4)[N+](=O)[O-])O)S(=O)(=O)N","GHXAAEBMVRFPGI-ZXVVBBHZSA-N",135499259,NA,"PDBC15104","647269","Present",NA,NA
+"15105","2-({1-[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]ethyl}thio)-4-chloro-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]ethylsulfanyl]-4-chloro-5-methylbenzenesulfonamide",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(C)SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N","BFWTYKALWNZOJU-UHFFFAOYSA-N",378484,NA,"PDBC15105","661084","Present",NA,NA
+"15106","2-({[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methyl}thio)-4-chloro-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanyl]-4-chloro-5-methylbenzenesulfonamide",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CSC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N","XKWNHGXXLXLVFF-UHFFFAOYSA-N",378483,NA,"PDBC15106","661083","Present",NA,NA
+"15107","2-({[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}thio)-4-chloro-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-({[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}thio)-4-chloro-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)SCC2=NC(=NC(=N2)N(C)C)N)S(=O)(=O)N","KRNHKLHJCPIISU-UHFFFAOYSA-N",378482,NA,"PDBC15107","661082","Present",NA,NA
+"15108","2-({[5-(2-Hydroxyphenyl)-2-thioxo-2,3,4-oxadiazo l-3-yl]methyl}amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-({[5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxad...",NA,"C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=CC=C3C(=O)O)O","FYRYTKBSGLWJHW-UHFFFAOYSA-N",135585519,NA,"PDBC15108","731991","Present",NA,NA
+"15109","2-4-[(5-2,4,5-Trimethoxyphenyl)-4,5-dihydro-3-isoxazolyl]phenoxypentyl)oxy]-3-methoxyphenyl-1,2,3,4-tetrahydro-4-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-4-[(5-2,6-dimethoxy-4-[5-(3,4,5-trimethoxyphenyl)-4,5-...",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=NO2)C3=CC(=C(C(=C3)OC)OCCCCCOC4=C(C=C(C=C4)C5NC6=CC=CC=C6C(=O)N5)OC)OC","CUOBQICXGNMRDP-UHFFFAOYSA-N",45029290,NA,"PDBC15109","746035","Present",NA,NA
+"15110","2-4-[5-(3,4-Dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-dimethoxy-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-4-[5-(3,4-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-...",NA,"COC1=C(C=C(C=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=C(S4)C(=CC(=C5)OC)OC)OC","OTPBITRSCRRMJU-UHFFFAOYSA-N",60147635,NA,"PDBC15110","751902","Present",NA,NA
+"15111","2-4-[5-(3,5-Dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,6,7-trimethoxy-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-4-[5-(3,5-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,6,...",NA,"COC1=CC(=CC(=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=CC(=C(C(=C5S4)OC)OC)OC)OC","BBIWPSPXUBZGFA-UHFFFAOYSA-N",60148006,NA,"PDBC15111","753456","Present",NA,NA
+"15112","2-4-[5-(3,5-Dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-dimethoxy-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-4-[5-(3,5-dimethoxyphenyl)-1H-1-imidazolyl]phenyl-5,7-...",NA,"COC1=CC(=CC(=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=C(S4)C(=CC(=C5)OC)OC)OC","DUHAPSHZAYLHAD-UHFFFAOYSA-N",60148008,NA,"PDBC15112","753458","Present",NA,NA
+"15113","2-Acetamido-3-thiophen-3-ylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-3-thiophen-3-ylpropanoic acid",NA,"CC(=O)NC(CC1=CSC=C1)C(=O)O","BAUPSKSGDPNCTJ-UHFFFAOYSA-N",321144,NA,"PDBC15113","270554","Present",NA,NA
+"15114","2-Acetamido-5-(benzyloxycarbonylamino)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-650",NA,"CC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)O","SNNLQIMJKSMXPD-UHFFFAOYSA-N",370427,NA,"PDBC15114","643523","Present",NA,NA
+"15115","2-Acetamido-6-chloro-1,4-benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-6-chloro-1,4-benzoquinone",NA,"CC(=O)NC1=CC(=O)C=C(C1=O)Cl","ILENUJYVSDXTOS-UHFFFAOYSA-N",377213,NA,"PDBC15115","658449","Present",NA,NA
+"15116","2-Acetamido-6-methyl-8-hydroxy-1,4-naphthaquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-6-methyl-8-hydroxy-1,4-naphthaquinone",NA,"CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)NC(=O)C","WBQCMONPSIPXGD-UHFFFAOYSA-N",377214,NA,"PDBC15116","658450","Present",NA,NA
+"15117","2-Acetamido-6-methyl-8-methoxy-1,4-naphthaquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-6-methyl-8-methoxy-1,4-naphthaquinone",NA,"CC1=CC2=C(C(=C1)OC)C(=O)C(=CC2=O)NC(=O)C","HECGBFUXZSNBRG-UHFFFAOYSA-N",377215,NA,"PDBC15117","658451","Present",NA,NA
+"15118","2-Acetamido-N-benzyl-5-(2-chloroethylcarbamoylamino)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-684",NA,"CC(=O)NC(CCCNC(=O)NCCCl)C(=O)NCC1=CC=CC=C1","RVXMYXXPOMDMDE-UHFFFAOYSA-N",371057,NA,"PDBC15118","644956","Present",NA,NA
+"15119","2-Acetamido-N-benzyl-5-(benzylamino)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-N-benzyl-5-(benzylamino)pentanamide",NA,"CC(=O)NC(CCCNCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2","FLBOTHDKXBBJME-UHFFFAOYSA-N",370432,NA,"PDBC15119","643528","Present",NA,NA
+"15120","2-Acetamido-N-benzyl-5-(methylcarbamoylamino)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-660",NA,"CC(=O)NC(CCCNC(=O)NC)C(=O)NCC1=CC=CC=C1","XEXVTTSSGLUEMU-UHFFFAOYSA-N",370436,NA,"PDBC15120","643532","Present",NA,NA
+"15121","2-Acetamido-N-benzyl-5-(prop-2-ynylcarbamoylamino)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_875076",NA,"CC(=O)NC(CCCNC(=O)NCC#C)C(=O)NCC1=CC=CC=C1","HCESTUWCONLCON-UHFFFAOYSA-N",371362,NA,"PDBC15121","645582","Present",NA,NA
+"15122","2-Acetamido-N-benzyl-5-(propylamino)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-655",NA,"CCCNCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C","DQIRFHLBFCRCLK-UHFFFAOYSA-N",370431,NA,"PDBC15122","643527","Present",NA,NA
+"15123","2-Acetamido-N-benzyl-5-[2-chloroethylcarbamoyl(propyl)amino]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-N-benzyl-5-[2-chloroethylcarbamoyl(propyl)amino]pentanamide",NA,"CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCCCl","GFIALRWOPLHHDK-UHFFFAOYSA-N",371058,NA,"PDBC15123","644957","Present",NA,NA
+"15124","2-Acetamido-N-benzyl-5-[benzyl(2-chloroethylcarbamoyl)amino]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-N-benzyl-5-[benzyl(2-chloroethylcarbamoyl)amino]pentanamide",NA,"CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)NCCCl)C(=O)NCC2=CC=CC=C2","DURVKXKTZAQPGP-UHFFFAOYSA-N",371059,NA,"PDBC15124","644958","Present",NA,NA
+"15125","2-Acetamido-N-benzyl-5-[benzyl(methylcarbamoyl)amino]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_875461",NA,"CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)NC)C(=O)NCC2=CC=CC=C2","ONTNUZPQYORNPQ-UHFFFAOYSA-N",370438,NA,"PDBC15125","643534","Present",NA,NA
+"15126","2-Acetamido-N-benzyl-5-[methylcarbamoyl(propyl)amino]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-661",NA,"CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NC","BTYPDZABXZNZBG-UHFFFAOYSA-N",370437,NA,"PDBC15126","643533","Present",NA,NA
+"15127","2-Acetamido-N-benzyl-6-(2-chloroethylcarbamoylamino)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-690",NA,"CC(=O)NC(CCCCNC(=O)NCCCl)C(=O)NCC1=CC=CC=C1","BNDQJOKGSNLGRU-UHFFFAOYSA-N",371063,NA,"PDBC15127","644962","Present",NA,NA
+"15128","2-Acetamido-N-benzyl-6-(benzylamino)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-N-benzyl-6-(benzylamino)hexanamide",NA,"CC(=O)NC(CCCCNCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2","DYIBVFCKZKUGRF-UHFFFAOYSA-N",370435,NA,"PDBC15128","643531","Present",NA,NA
+"15129","2-Acetamido-N-benzyl-6-(methylcarbamoylamino)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-666",NA,"CC(=O)NC(CCCCNC(=O)NC)C(=O)NCC1=CC=CC=C1","UJIJNLCIYNLCHJ-UHFFFAOYSA-N",370442,NA,"PDBC15129","643538","Present",NA,NA
+"15130","2-Acetamido-N-benzyl-6-(prop-2-ynylcarbamoylamino)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_875175",NA,"CC(=O)NC(CCCCNC(=O)NCC#C)C(=O)NCC1=CC=CC=C1","TWFOIWBAYSOYGK-UHFFFAOYSA-N",371364,NA,"PDBC15130","645584","Present",NA,NA
+"15131","2-Acetamido-N-benzyl-6-(propylamino)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-658",NA,"CCCNCCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C","IGIPPHOXHMXKKK-UHFFFAOYSA-N",370434,NA,"PDBC15131","643530","Present",NA,NA
+"15132","2-Acetamido-N-benzyl-6-[2-chloroethylcarbamoyl(propyl)amino]hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-691",NA,"CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCCCl","BGJULESIBIPZHE-UHFFFAOYSA-N",371064,NA,"PDBC15132","644963","Present",NA,NA
+"15133","2-Acetamido-N-benzyl-6-[benzyl(2-chloroethylcarbamoyl)amino]hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-692",NA,"CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)NCCCl)C(=O)NCC2=CC=CC=C2","ZSKORNXGCDFRGY-UHFFFAOYSA-N",371065,NA,"PDBC15133","644964","Present",NA,NA
+"15134","2-Acetamido-N-benzyl-6-[benzyl(methylcarbamoyl)amino]hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-N-benzyl-6-[benzyl(methylcarbamoyl)amino]hexanamide",NA,"CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)NC)C(=O)NCC2=CC=CC=C2","HCSFVQIFIQJOFV-UHFFFAOYSA-N",370444,NA,"PDBC15134","643540","Present",NA,NA
+"15135","2-Acetamido-N-benzyl-6-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-N-benzyl-6-[benzyl-[2-chloroethyl(nitroso)carbamoyl]amino]hexanamide",NA,"CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)N(CCCl)N=O)C(=O)NCC2=CC=CC=C2","QPCSANVWFZHCCL-UHFFFAOYSA-N",371068,NA,"PDBC15135","644967","Present",NA,NA
+"15136","2-Acetamido-N-benzyl-6-[methylcarbamoyl(propyl)amino]hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_875284",NA,"CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NC","PGEYDFDYTWAVDU-UHFFFAOYSA-N",370443,NA,"PDBC15136","643539","Present",NA,NA
+"15137","2-Acetamidophenyl phenyl sulfoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2AcNHPh-SO-Ph",NA,"CC(=O)NC1=CC=CC=C1S(=O)C2=CC=CC=C2","FOTCKOVKDZSJGX-UHFFFAOYSA-N",365387,NA,"PDBC15137","633000","Present",NA,NA
+"15138","2-Acetyl-1,2-dihydroellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-acetyl-1,2-dihydroellipticine",NA,"CC1=C2CN(C=CC2=C(C3=C1C4=CC=CC=C4N3)C)C(=O)C","CNBKZUVGEAKGEQ-UHFFFAOYSA-N",376328,NA,"PDBC15138","657149","Present",NA,NA
+"15139","2-Acetyl-2,4-cyclopentadien-1-one phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-2,4-cyclopentadien-1-one phenylhydrazone",NA,"CC(=O)C1=CC=CC1=NNC2=CC=CC=C2","KDBBHGQEKHITEO-FYWRMAATSA-N",9571513,NA,"PDBC15139","675371","Present",NA,NA
+"15140","2-Acetyl-2-chloro-9-ethenyloxycarbonyl-9-azabicyclo[4.2.1]nonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-2-chloro-9-ethenyloxycarbonyl-9-azabicyclo[4.2....",NA,"CC(=O)C1(CCCC2CCC1N2C(=O)OC=C)Cl","BEOIGTMHOGUMPJ-UHFFFAOYSA-N",392659,NA,"PDBC15140","693245","Present",NA,NA
+"15141","2-Acetyl-3-((aminocarbothioyl)amino)-N-(2-methylphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-((aminocarbothioyl)amino)-N-(2-methylphenyl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)N","GBTFWHXUGAYXMW-IOEGRWEBSA-N",135442829,NA,"PDBC15141","658318","Present",NA,NA
+"15142","2-Acetyl-3-(2,2-dimethylhydrazino)-1-phenylpyrazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-(2,2-dimethylhydrazino)-1-phenylpyrazolidine",NA,"CC(=O)N1C(CCN1C2=CC=CC=C2)NN(C)C","RNDOKKQZAYJTGI-UHFFFAOYSA-N",377021,NA,"PDBC15142","658239","Present",NA,NA
+"15143","2-Acetyl-3-(2-furyl)-N-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-(2-furyl)-N-phenylacrylamide",NA,"CC(=O)C(=CC1=CC=CO1)C(=O)NC2=CC=CC=C2","XLBHGSCFAYDXNH-GXDHUFHOSA-N",5388285,NA,"PDBC15143","634500","Present",NA,NA
+"15144","2-Acetyl-3-(2-hydroxyphenyl)-N-(2-methylphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-(2-hydroxyphenyl)-N-(2-methylphenyl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=CC2=CC=CC=C2O)C(=O)C","OICCOCINNFRHHF-RVDMUPIBSA-N",5388299,NA,"PDBC15144","634651","Present",NA,NA
+"15145","2-Acetyl-3-(3-(hydroxy(oxido)amino)phenyl)-N-(2-methylphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-(3-(hydroxy(oxido)amino)phenyl)-N-(2-methylphenyl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C","CKILEGYCDSBNPL-LFIBNONCSA-N",5351366,NA,"PDBC15145","634658","Present",NA,NA
+"15146","2-Acetyl-3-(4,5-dihydro-2-furanyl)-N-(2-methylphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-(4,5-dihydro-2-furanyl)-N-(2-methylphenyl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=CC2=CCCO2)C(=O)C","VLKGWHAWNPAHOX-GXDHUFHOSA-N",5388298,NA,"PDBC15146","634649","Present",NA,NA
+"15147","2-Acetyl-3-(4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-N-(2-methylphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-(4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)-N-(2-methylphenyl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=CN2C(=O)CC(=O)NC2=S)C(=O)C","YRUVFDWHPGWNMS-FLIBITNWSA-N",3004549,NA,"PDBC15147","658325","Present",NA,NA
+"15148","2-Acetyl-3-(4-methoxyphenyl)-N-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-(4-methoxyphenyl)-N-phenylacrylamide",NA,"CC(=O)C(=CC1=CC=C(C=C1)OC)C(=O)NC2=CC=CC=C2","SVLZHKVIXNBQKB-SFQUDFHCSA-N",5388296,NA,"PDBC15148","634646","Present",NA,NA
+"15149","2-Acetyl-3-(6-(hydroxy(oxido)amino)-2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-(2-methylphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-N-(2-Methylphenyl)-2-[(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)methylidene]-3-oxobutanamide",NA,"CC1=CC=CC=C1NC(=O)C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C(=O)C","ATBQMRZXFMQABA-GXDHUFHOSA-N",3004568,NA,"PDBC15149","658353","Present",NA,NA
+"15150","2-Acetyl-3-(benzyloxy)-1-phenylpyrazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-(benzyloxy)-1-phenylpyrazolidine",NA,"CC(=O)N1C(CCN1C2=CC=CC=C2)OCC3=CC=CC=C3","ZIXHKUBRENCZRA-UHFFFAOYSA-N",377001,NA,"PDBC15150","658219","Present",NA,NA
+"15151","2-Acetyl-3-azido-phenalen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Acetyl-1-azido-phenylen-3-one",NA,"CC(=O)C1=C(C2=CC=CC3=C2C(=CC=C3)C1=O)N=[N+]=[N-]","WDWGEVPLXLELIW-UHFFFAOYSA-N",387481,NA,"PDBC15151","681284","Present",NA,NA
+"15152","2-Acetyl-3-hydroxycyclopent-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-hydroxycyclopent-2-en-1-one",NA,"CC(=O)C1=C(CCC1=O)O","RONRCPCLDTZROD-UHFFFAOYSA-N",392710,NA,"PDBC15152","693427","Present",NA,NA
+"15153","2-Acetyl-3-methyl-1,2-dihydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-methyl-1,2-dihydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione",NA,"CC1=CN2C(=O)C3=CC4=CC=CC=C4C=C3C(=O)N2CC1C(=O)C","RKPVVYHSPTWPQF-UHFFFAOYSA-N",373137,NA,"PDBC15153","649079","Present",NA,NA
+"15154","2-Acetyl-3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3-methyl-1,4-dihydropyridazino[1,2-b]phthalazine-6,11-dione",NA,"CC1=C(CN2C(=O)C3=CC=CC=C3C(=O)N2C1)C(=O)C","ZVEHEEBCCDLJIV-UHFFFAOYSA-N",373135,NA,"PDBC15154","649077","Present",NA,NA
+"15155","2-Acetyl-3-oxobutanal;pentane-2,4-dione;ruthenium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC368176",NA,"CC(=O)CC(=O)C.CC(=O)CC(=O)C.CC(=O)C(C=O)C(=O)C.[Ru]","XGAPGZWCHJOKAV-UHFFFAOYSA-N",435351,NA,"PDBC15155","368176","Present",NA,NA
+"15156","2-Acetyl-3a-phenyl-3,3a-dihydroisoxazolo[2,3-a]indol-4(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-3a-phenyl-3,3a-dihydroisoxazolo[2,3-a]indol-4(2H)-one",NA,"CC(=O)C1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=CC=C4","YZWBVQPLHHHLEF-UHFFFAOYSA-N",374522,NA,"PDBC15156","652273","Present",NA,NA
+"15157","2-Acetyl-4,5-dihydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-4,5-dihydro-7H-[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridin-7-one",NA,"CC(=O)C1=CC2=C3C(=C1)C4=CC5=C(C=C4C(=O)N3CC2)OCO5","FESRXNOBFDOPTM-UHFFFAOYSA-N",362980,NA,"PDBC15157","627511","Present",NA,NA
+"15158","2-Acetyl-4-[(E)-(4-nitrophenyl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-4-[(E)-(4-nitrophenyl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one",NA,"CC(=O)N1C(=O)N(C(=N1)C2=CC=CC=C2)N=CC3=CC=C(C=C3)[N+](=O)[O-]","IDYYRUJTFMFPBN-WOJGMQOQSA-N",10315919,NA,"PDBC15158","709356","Present",NA,NA
+"15159","2-Acetyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-phenyl-1,2,4-triazol-3-one",NA,"CC(=O)N1C(=O)N(C(=N1)C2=CC=CC=C2)N=CC3=CC=C(O3)[N+](=O)[O-]","GWMZOONGOAXEDY-CXUHLZMHSA-N",54611520,NA,"PDBC15159","709357","Present",NA,NA
+"15160","2-Acetyl-5-amino-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-5-amino-1,3-oxazole-4-carbonitrile",NA,"CC(=O)C1=NC(=C(O1)N)C#N","WNNRCIQBYWWHGF-UHFFFAOYSA-N",389350,NA,"PDBC15160","685303","Present",NA,NA
+"15161","2-Acetyl-5-phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-5-phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1,2,4-triazol-3-one",NA,"CC(=O)N1C(=O)N(C(=N1)C2=CC=CC=C2)N=CC3=CC(=C(C(=C3)OC)OC)OC","NMDHLFFHLRIBAM-CIAFOILYSA-N",9572282,NA,"PDBC15161","710181","Present",NA,NA
+"15162","2-Acetyl-6-methylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PIWLKMHKNURVRN-UHFFFAOYSA-N",NA,"CC1=C(C(=CC=C1)C(=O)C)C(=O)O","PIWLKMHKNURVRN-UHFFFAOYSA-N",362107,NA,"PDBC15162","625636","Present",NA,NA
+"15163","2-Acetyl-6-methylpyridine 4-ethylthiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673830",NA,"CCNC(=S)NN=C(C)C1=CC=CC(=N1)C","CZWBUFFXMAZRFM-NTEUORMPSA-N",5466069,NA,"PDBC15163","673830","Present",NA,NA
+"15164","2-Acetyl-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-acetyl-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide",NA,"CC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)Cl)[O-])C(F)(F)F","CDYWUOADKPSTQO-UHFFFAOYSA-N",24203530,NA,"PDBC15164","728457","Present",NA,NA
+"15165","2-Acetyl-7-chloro-8-methyl-3-(4-methoxyphenyl)-1,5,2-benzo[f]dithiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-7-chloro-8-methyl-3-(4-methoxyphenyl)-1,1-dioxo...",NA,"CC1=CC2=C(C=C1Cl)SC=C(N(S2(=O)=O)C(=O)C)C3=CC=C(C=C3)OC","ULFFBXSLENRHOV-UHFFFAOYSA-N",24204341,NA,"PDBC15165","731402","Present",NA,NA
+"15166","2-Acetyl-7-methyl-3-trifluoromethylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-acetyl-7-methyl-3-trifluoromethylquinoxaline 1,4-dioxide",NA,"CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C)C(F)(F)F)[O-]","PUWOZIADALSNEF-UHFFFAOYSA-N",24203531,NA,"PDBC15166","728458","Present",NA,NA
+"15167","2-Acetyl-N,1-diphenylpyrazolidin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-N,1-diphenylpyrazolidin-3-amine",NA,"CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=CC=CC=C3","AXCZLBGWEYVQRY-UHFFFAOYSA-N",377002,NA,"PDBC15167","658220","Present",NA,NA
+"15168","2-Acetyl-N-(2-methoxyphenyl)-3-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-N-(2-methoxyphenyl)-3-phenylacrylamide",NA,"CC(=O)C(=CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2OC","PJRWHZLENITDDI-NTCAYCPXSA-N",5388297,NA,"PDBC15168","634647","Present",NA,NA
+"15169","2-Acetyl-N-(2-methylphenyl)-3-((3-pyridinylcarbothioyl)amino)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-N-(2-methylphenyl)-3-((3-pyridinylcarbothioyl)amino)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)C2=CN=CC=C2","DGVYNUAJLZWTIN-WQZXYWPWSA-N",135442828,NA,"PDBC15169","658316","Present",NA,NA
+"15170","2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-1,3-benzothiazol-3(2H)-yl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-1,3-benzothiazol-3(2H)-yl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=CN2C3=CC=CC=C3SC2=S)C(=O)C","TZDWRHSGVABMAW-KAMYIIQDSA-N",3004554,NA,"PDBC15170","658332","Present",NA,NA
+"15171","2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-1-imidazolidinyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-1-imidazolidinyl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=CN2CCNC2=S)C(=O)C","HSTRONMSFNVXON-XFXZXTDPSA-N",3004542,NA,"PDBC15171","658317","Present",NA,NA
+"15172","2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-N-(2-methylphenyl)-3-(2-thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=CN2C3=CC=CC=C3NC2=S)C(=O)C","JREIFCCJYVQCDF-KAMYIIQDSA-N",3004544,NA,"PDBC15172","658319","Present",NA,NA
+"15173","2-Acetyl-N-(2-methylphenyl)-3-(4-oxo-2-thioxo-1-imidazolidinyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-N-(2-methylphenyl)-3-(4-oxo-2-thioxo-1-imidazolidinyl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=CN2CC(=O)NC2=S)C(=O)C","KLWZXERNIZKRGE-XFFZJAGNSA-N",3004550,NA,"PDBC15173","658326","Present",NA,NA
+"15174","2-Acetyl-N-(2-methylphenyl)-3-(4-oxo-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-N-(2-methylphenyl)-3-(4-oxo-2-thioxo-3,4-dihydro-1(2H)-pyrimidinyl)acrylamide",NA,"CC1=CC=CC=C1NC(=O)C(=CN2C=CC(=O)NC2=S)C(=O)C","AIPBUQXGTQFABG-XFXZXTDPSA-N",3004548,NA,"PDBC15174","658324","Present",NA,NA
+"15175","2-Acetyl-N-(4-ethoxyphenyl)-3-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyl-N-(4-ethoxyphenyl)-3-phenylacrylamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=CC=C2)C(=O)C","KUWCUUUEBDJARF-QGOAFFKASA-N",5387707,NA,"PDBC15175","625875","Present",NA,NA
+"15176","2-Acetylamino-3-amino-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650575",NA,"CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)N","IZJNNHJVNPVRHJ-UHFFFAOYSA-N",337349,NA,"PDBC15176","650575","Present",NA,NA
+"15177","2-Acetylamino-4-hydroxy-6-formylpteridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ac-6-FP",NA,"CC(=O)NC1=NC2=NC=C(N=C2C(=O)N1)C=O","DDBCPKAHJKOGKK-UHFFFAOYSA-N",135447887,NA,"PDBC15177","129965","Present",NA,NA
+"15178","2-Acetylaminoestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylaminoestradiol",NA,"CC(=O)NC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","OTXRCAQCQCRBNZ-BKRJIHRRSA-N",384234,NA,"PDBC15178","673651","Present",NA,NA
+"15179","2-Acetylbenzo[f][1]benzothiole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-b]thiophene-4,9-dione, 2-acetyl-",NA,"CC(=O)C1=CC2=C(S1)C(=O)C3=CC=CC=C3C2=O","AZJPKGXMDKTLMO-UHFFFAOYSA-N",392893,NA,"PDBC15179","694071","Present",NA,NA
+"15180","2-Acetylimidazo[4,4 dimethyl 3 thio-semicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4,4 dimethyl 3 thio-semica...",NA,"CC(=NNC(=S)N(C)C)C1=NC2=C(N1)C=CC=N2","GSZQIRJQWTXFTJ-VIZOYTHASA-N",135440010,NA,"PDBC15180","674100","Present",NA,NA
+"15181","2-Acetylimidazo[4,5-b]pyridin 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 3 thiosemicarbazone",NA,"CC(=NNC(=S)N)C1=NC2=C(N1)C=CC=N2","QSLZUDAHRGOJDZ-LHHJGKSTSA-N",135440006,NA,"PDBC15181","674095","Present",NA,NA
+"15182","2-Acetylimidazo[4,5-b]pyridin 4 benzyl 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 benzyl 3 thiosemicarbazone",NA,"CC(=NNC(=S)NCC1=CC=CC=C1)C2=NC3=C(N2)C=CC=N3","WCANXMJXKIUANL-SRZZPIQSSA-N",135425176,NA,"PDBC15182","674107","Present",NA,NA
+"15183","2-Acetylimidazo[4,5-b]pyridin 4 cyclohexyl 3 thio-semicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 cyclohexyl 3 thio-semica...",NA,"CC(=NNC(=S)NC1CCCCC1)C2=NC3=C(N2)C=CC=N3","WIUDNGIKNDNAJW-KEBDBYFISA-N",135440011,NA,"PDBC15183","674101","Present",NA,NA
+"15184","2-Acetylimidazo[4,5-b]pyridin 4 isopropyl 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 isopropyl 3 thiosemicarb...",NA,"CC(C)NC(=S)NN=C(C)C1=NC2=C(N1)C=CC=N2","WRTPYTYTESWSSN-CAOOACKPSA-N",135440007,NA,"PDBC15184","674097","Present",NA,NA
+"15185","2-Acetylimidazo[4,5-b]pyridin 4 methyl 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 methyl 3 thiosemicarbazone",NA,"CC(=NNC(=S)NC)C1=NC2=C(N1)C=CC=N2","ZJDYIPJZPKKYQG-GIDUJCDVSA-N",135399871,NA,"PDBC15185","674096","Present",NA,NA
+"15186","2-Acetylimidazo[4,5-b]pyridin 4 morpholino 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 morpholino 3 thiosemicar...",NA,"CC(=NNC(=S)N1CCOCC1)C2=NC3=C(N2)C=CC=N3","NNZPFBFGWYHGIB-RQZCQDPDSA-N",135427921,NA,"PDBC15186","674110","Present",NA,NA
+"15187","2-Acetylimidazo[4,5-b]pyridin 4 p-chlorophenyl 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 p-chlorophenyl 3 thiosem...",NA,"CC(=NNC(=S)NC1=CC=C(C=C1)Cl)C2=NC3=C(N2)C=CC=N3","MHSFNYLHBQHYNH-ZVBGSRNCSA-N",135424828,NA,"PDBC15187","674103","Present",NA,NA
+"15188","2-Acetylimidazo[4,5-b]pyridin 4 p-hydroxyphenyl 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 p-hydroxyphenyl 3 thiose...",NA,"CC(=NNC(=S)NC1=CC=C(C=C1)OC)C2=NC3=C(N2)C=CC=N3","ZLWNSOIMKLRUJQ-UFFVCSGVSA-N",135440013,NA,"PDBC15188","674105","Present",NA,NA
+"15189","2-Acetylimidazo[4,5-b]pyridin 4 p-nitrophenyl 3 thio-semicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 p-nitrophenyl 3 thio-sem...",NA,"CC(=NNC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])C2=NC3=C(N2)C=CC=N3","PTPCBHIBZMHRAG-AWQFTUOYSA-N",135414414,NA,"PDBC15189","674104","Present",NA,NA
+"15190","2-Acetylimidazo[4,5-b]pyridin 4 piperazino 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 piperazino 3 thiosemicar...",NA,"CC(=NNC(=S)N1CCN(CC1)C)C2=NC3=C(N2)C=CC=N3","CYVVQRKKVHBATL-VCHYOVAHSA-N",135440016,NA,"PDBC15190","674111","Present",NA,NA
+"15191","2-Acetylimidazo[4,5-b]pyridin 4 piperidino 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 piperidino 3 thiosemicar...",NA,"CC(=NNC(=S)N1CCCCC1)C2=NC3=C(N2)C=CC=N3","SHVJLVNFRUBXIW-VCHYOVAHSA-N",135427917,NA,"PDBC15191","674109","Present",NA,NA
+"15192","2-Acetylimidazo[4,5-b]pyridin 4 pyrrlidino 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 pyrrlidino 3 thiosemicar...",NA,"CC(=NNC(=S)N1CCCC1)C2=NC3=C(N2)C=CC=N3","UTMJFMJUBBDLKQ-RQZCQDPDSA-N",135440015,NA,"PDBC15192","674108","Present",NA,NA
+"15193","2-Acetylimidazo[4,5-b]pyridin 4 sec-butyl 3thiosemi-carbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 sec-butyl 3thiosemi-carb...",NA,"CCC(C)NC(=S)NN=C(C)C1=NC2=C(N1)C=CC=N2","XDDMAJWSRGXELH-GIJQJNRQSA-N",135440008,NA,"PDBC15193","674098","Present",NA,NA
+"15194","2-Acetylimidazo[4,5-b]pyridin 4 tert-butyl 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 tert-butyl 3 thiosemicar...",NA,"CC(=NNC(=S)NC(C)(C)C)C1=NC2=C(N1)C=CC=N2","LJYGCLUAMXHVDR-QGMBQPNBSA-N",135440009,NA,"PDBC15194","674099","Present",NA,NA
+"15195","2-Acetylimidazo[4,5-b]pyridin 4 tolyl 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazo[4,5-b]pyridin 4 tolyl 3 thiosemicarbazone",NA,"CC1=CC=C(C=C1)NC(=S)NN=C(C)C2=NC3=C(N2)C=CC=N3","SLRJSHIDXDIPJC-SRZZPIQSSA-N",135440014,NA,"PDBC15195","674106","Present",NA,NA
+"15196","2-Acetylimidazp[4,5-b]pyridin 4 phenyl 3 thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetylimidazp[4,5-b]pyridin 4 phenyl 3 thiosemicarbazone",NA,"CC(=NNC(=S)NC1=CC=CC=C1)C2=NC3=C(N2)C=CC=N3","PBGGTLOIOCUYCJ-KEBDBYFISA-N",135440012,NA,"PDBC15196","674102","Present",NA,NA
+"15197","2-Acetyloxyethyl-(1,3-dihexadecoxy-1,3-dioxopropan-2-yl)-dimethylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetyloxyethyl-(1,3-dihexadecoxy-1,3-dioxopropan-2-yl)-dimethylazanium;bromide",NA,"CCCCCCCCCCCCCCCCOC(=O)C(C(=O)OCCCCCCCCCCCCCCCC)[N+](C)(C)CCOC(=O)C.[Br-]","BNURHYIDUDUYJK-UHFFFAOYSA-M",361982,NA,"PDBC15197","625461","Present",NA,NA
+"15198","2-Acetylphenoxathin thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-Phenoxathiin-2-ylethylideneamino]thiourea",NA,"CC(=NNC(=S)N)C1=CC2=C(C=C1)OC3=CC=CC=C3S2","LQMMRSIRHDRUMX-RQZCQDPDSA-N",9572553,NA,"PDBC15198","720190","Present",NA,NA
+"15199","2-Acetylpyridine p-toluensulfonylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692419",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC=CC=N2","KUXKEXQWKKRQNS-FOWTUZBSSA-N",5466469,NA,"PDBC15199","692419","Present",NA,NA
+"15200","2-Acetylpyridine-(4-phenylthiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Happtsc",NA,"CC(=NNC(=S)NC1=CC=CC=C1)C2=CC=CC=N2","VHVSCHSQNUUXNS-GZTJUZNOSA-N",5369910,NA,"PDBC15200","291330","Present",NA,NA
+"15201","2-Acetylthieno[2,3-f][1]benzothiole-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-acetyl-",NA,"CC(=O)C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3","MMYDGBHMGKVWDF-UHFFFAOYSA-N",388023,NA,"PDBC15201","682448","Present",NA,NA
+"15202","2-Acridin-9-ylsulfanyl-5-ethylsulfanyl-1,3,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridine, 9-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-",NA,"CCSC1=NN=C(S1)SC2=C3C=CC=CC3=NC4=CC=CC=C42","LSBMWMCHCWBNBV-UHFFFAOYSA-N",390166,NA,"PDBC15202","687311","Present",NA,NA
+"15203","2-Adamantyl 4-methylbenzenesulfinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Adamantyl 4-methylbenzenesulfinate",NA,"CC1=CC=C(C=C1)S(=O)OC2C3CC4CC(C3)CC2C4","WVQBTXUGUZCNHC-UHFFFAOYSA-N",361215,NA,"PDBC15203","624175","Present",NA,NA
+"15204","2-Allyl-2-methyl-1-((phenylsulfinyl)methyl)cyclohexanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Allyl-2-methyl-1-((phenylsulfinyl)methyl)cyclohexanol",NA,"CC1(CCCCC1(CS(=O)C2=CC=CC=C2)O)CC=C","MNHNOMPUSCDZMJ-UHFFFAOYSA-N",363790,NA,"PDBC15204","629004","Present",NA,NA
+"15205","2-Allyl-4-(6-chloro-2-methoxyacridin-9-ylamino)-6-((diethylamino)methyl)phenol, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Allyl-4-(6-chloro-2-methoxyacridin-9-ylamino)-6-((diet...",NA,"CCN(CC)CC1=CC(=CC(=C1O)CC=C)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC.Cl","BZMQTXWIPPYINJ-UHFFFAOYSA-N",24183911,NA,"PDBC15205","31711","Present",NA,NA
+"15206","2-Allyloxy-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GJJKARQHSXJKNX-UHFFFAOYSA-N",NA,"C=CCOC1=CC(=O)C2=CC=CC=C2C1=O","GJJKARQHSXJKNX-UHFFFAOYSA-N",260635,NA,"PDBC15206","92196","Present",NA,NA
+"15207","2-Amino-1,3,4,8b-tetrahydro-4a(2H)-biphenylenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1,3,4,8b-tetrahydro-4a(2H)-biphenylenol",NA,"C1CC2(C(CC1N)C3=CC=CC=C32)O","KLQPTACUKOGGIQ-UHFFFAOYSA-N",375503,NA,"PDBC15207","655285","Present",NA,NA
+"15208","2-Amino-1,3,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminothiadiazole",NA,"C1=NN=C(S1)N","QUKGLNCXGVWCJX-UHFFFAOYSA-N",19909,NA,"PDBC15208","4728","Present",NA,NA
+"15209","2-Amino-1,5-diphenyl-1H-pyrrole-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK760172",NA,"C1=CC=C(C=C1)C2=C(C(=C(N2C3=CC=CC=C3)N)C#N)C#N","XQCNSHRRDWZUFO-UHFFFAOYSA-N",387738,NA,"PDBC15209","681767","Present",NA,NA
+"15210","2-Amino-1-(1-phenylethenyl)cyclohexan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-(1-phenylethenyl)cyclohexan-1-ol",NA,"C=C(C1=CC=CC=C1)C2(CCCCC2N)O","DPJWTFXLGCZLRE-UHFFFAOYSA-N",357749,NA,"PDBC15210","617271","Present",NA,NA
+"15211","2-Amino-1-(2-hydroxy-3-methoxypropyl)-4,5-dihydroimidazole-4,5-diol;sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-(2-hydroxy-3-methoxypropyl)-4,5-dihydroimidazole-4,5-diol;sulfuric acid",NA,"COCC(CN1C(C(N=C1N)O)O)O.OS(=O)(=O)O","KFJMCASIYJHFKY-UHFFFAOYSA-N",360149,NA,"PDBC15211","622083","Present",NA,NA
+"15212","2-Amino-1-(3,4-dimethylphenyl)propan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-(3,4-dimethylphenyl)propan-1-one;hydrochloride",NA,"CC1=C(C=C(C=C1)C(=O)C(C)N)C.Cl","MFOHYVLJMRMISR-UHFFFAOYSA-N",24201277,NA,"PDBC15212","407738","Present",NA,NA
+"15213","2-Amino-1-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-3-methyl-guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-3-methyl-guanidine",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NC)NN","NMVMSNZVZFUZRP-UHFFFAOYSA-N",384321,NA,"PDBC15213","674005","Present",NA,NA
+"15214","2-Amino-1-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-3-phenethyl-guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-3-phenethyl-guanidine",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NCCC2=CC=CC=C2)NN","QGPJRVDEFUJWQV-UHFFFAOYSA-N",384322,NA,"PDBC15214","674006","Present",NA,NA
+"15215","2-Amino-1-(4-chlorophenyl)-4-methylsulfanyl-6-oxo-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-(4-chlorophenyl)-4-methylsulfanyl-6-oxo-pyridine-3,5-dicarbonitrile",NA,"CSC1=C(C(=O)N(C(=C1C#N)N)C2=CC=C(C=C2)Cl)C#N","WIQVVTPNRQBGKC-UHFFFAOYSA-N",392135,NA,"PDBC15215","692015","Present",NA,NA
+"15216","2-Amino-1-(4-hydroxyphenyl)propan-1-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-(4-hydroxyphenyl)propan-1-one hydrochloride",NA,"CC(C(=O)C1=CC=C(C=C1)O)N.Cl","QSJIZQZNPCLCJL-UHFFFAOYSA-N",22601032,NA,"PDBC15216","23618","Present",NA,NA
+"15217","2-Amino-1-(4-methylphenyl)propan-1-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-50443",NA,"CC1=CC=C(C=C1)C(=O)C(C)N.Cl","FZNOSALCDVTESF-UHFFFAOYSA-N",20232110,NA,"PDBC15217","60487","Present",NA,NA
+"15218","2-Amino-1-N,9-N-bis(10-benzyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671034///NSC684907",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)CC3=CC=CC=C3)C)C)C(C)C)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)CC9=CC=CC=C9)C)N)C","AWFYHUCONKUXOE-UHFFFAOYSA-N",16129906,NA,"PDBC15218","671034///684907","Present",NA,NA
+"15219","2-Amino-1-N,9-N-bis(3-benzyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-N,9-N-bis(3-benzyl-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl)-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)CC3=CC=CC=C3)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)CC9=CC=CC=C9)C)C)C(C)C)C)N)C","GVQMDKCFILZNNK-UHFFFAOYSA-N",16129896,NA,"PDBC15219","668473","Present",NA,NA
+"15220","2-Amino-1-N,9-N-bis[10-(1-hydroxyethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671033///NSC684905",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)O)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)O)C)N)C","UEPYIYZYKGRQJT-UHFFFAOYSA-N",383042,NA,"PDBC15220","671033///684905","Present",NA,NA
+"15221","2-Amino-1-N,9-N-bis[10-(1H-imidazol-5-ylmethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-N,9-N-bis[10-(1H-imidazol-5-ylmethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxami",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)CC3=CN=CN3)C)C)C(C)C)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)CC9=CN=CN9)C)N)C","CFTOSEOAKWYLNM-UHFFFAOYSA-N",16129905,NA,"PDBC15221","671032","Present",NA,NA
+"15222","2-Amino-1-N,9-N-bis[10-[(4-hydroxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684901///NSC684902",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)CC3=CC=C(C=C3)O)C)C)C(C)C)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)CC9=CC=C(C=C9)O)C)N)C","SKGNMALTNGTDEC-UHFFFAOYSA-N",16129921,NA,"PDBC15222","684901///684902","Present",NA,NA
+"15223","2-Amino-1-N,9-N-bis[10-[(4-methoxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671035///NSC684908",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)CC3=CC=C(C=C3)OC)C)C)C(C)C)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)C(C)C)C)C)CC9=CC=C(C=C9)OC)C)N)C","FZAZHWMIBYMTGM-UHFFFAOYSA-N",16129907,NA,"PDBC15223","671035///684908","Present",NA,NA
+"15224","2-Amino-1-N,9-N-bis[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-N,9-N-bis[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,"CC1C(C(=O)NC(C(=O)N2CC(CC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)O)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CC(CN7C(=O)C(NC6=O)C(C)C)O)C)C)C(C)C)C)N)C","QCMODBTXTMOEPO-UHFFFAOYSA-N",389208,NA,"PDBC15224","684904","Present",NA,NA
+"15225","2-Amino-1-N,9-N-bis[3-(1-hydroxyethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-N,9-N-bis[3-(1-hydroxyethyl)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)O)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)O)C)C)C(C)C)C)N)C","VEYVVHQESYFSJE-UHFFFAOYSA-N",381654,NA,"PDBC15225","668476","Present",NA,NA
+"15226","2-Amino-1-N,9-N-bis[3-[(4-hydroxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-N,9-N-bis[3-[(4-hydroxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxam",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)CC3=CC=C(C=C3)O)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)CC9=CC=C(C=C9)O)C)C)C(C)C)C)N)C","YJIGBUQZEZSASL-UHFFFAOYSA-N",16129897,NA,"PDBC15226","668474","Present",NA,NA
+"15227","2-Amino-1-N,9-N-bis[3-[(4-methoxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-N,9-N-bis[3-[(4-methoxyphenyl)methyl]-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-10-propan-2-yl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxophenoxazine-1,9-dicarboxam",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)CC3=CC=C(C=C3)OC)NC(=O)C4=C5C(=C(C=C4)C)OC6=C(C(=O)C(=C(C6=N5)C(=O)NC7C(OC(=O)C(N(C(=O)CN(C(=O)C8CCCN8C(=O)C(NC7=O)CC9=CC=C(C=C9)OC)C)C)C(C)C)C)N)C","CMDXFGUFUFEHBG-UHFFFAOYSA-N",16129898,NA,"PDBC15227","668475","Present",NA,NA
+"15228","2-Amino-1-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-[(E)-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NNC(=NN)N.Cl","ZSCXJKTXFRSPRT-RZFZGDDESA-N",24204006,NA,"PDBC15228","730326","Present",NA,NA
+"15229","2-Amino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethanone",NA,"C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)C(=O)CN","QHLPGVZGKYWXFU-UHFFFAOYSA-N",403194,NA,"PDBC15229","717848","Present",NA,NA
+"15230","2-Amino-1-benzoyl-4-phenyl-pyrrole-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-benzoyl-4-phenyl-pyrrole-3-carbonitrile",NA,"C1=CC=C(C=C1)C2=CN(C(=C2C#N)N)C(=O)C3=CC=CC=C3","VUINUZBIBFZPHN-UHFFFAOYSA-N",392114,NA,"PDBC15230","691986","Present",NA,NA
+"15231","2-Amino-1-benzyl-5-isobutyl-pyrrole-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-benzyl-5-isobutyl-pyrrole-3,4-dicarbonitrile",NA,"CC(C)CC1=C(C(=C(N1CC2=CC=CC=C2)N)C#N)C#N","XOOVGZOPZCXMCG-UHFFFAOYSA-N",387735,NA,"PDBC15231","681764","Present",NA,NA
+"15232","2-Amino-1-benzyl-5-phenyl-1H-pyrrole-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-1-benzyl-5-phenyl-1H-pyrrole-3,4-dicarbonitrile",NA,"C1=CC=C(C=C1)CN2C(=C(C(=C2N)C#N)C#N)C3=CC=CC=C3","MPUZNXZBEBNBMX-UHFFFAOYSA-N",387737,NA,"PDBC15232","681766","Present",NA,NA
+"15233","2-Amino-1-phenylpentan-1-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE16993",NA,"CCCC(C(=O)C1=CC=CC=C1)N.Cl","DIALNHDLZNSQHS-UHFFFAOYSA-N",54603733,NA,"PDBC15233","53146","Present",NA,NA
+"15234","2-Amino-10-(2-methoxyethyl)-6,7,8,10-tetrahydrobenzo[g]pteridin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-10-(2-methoxyethyl)-6,7,8,10-tetrahydrobenzo[g]pteridin-4-ol",NA,"COCCN1C2=CCCCC2=NC3=C1N=C(NC3=O)N","FRSSGJJSPUOPKO-UHFFFAOYSA-N",135429965,NA,"PDBC15234","628239","Present",NA,NA
+"15235","2-Amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-[1]benzothiepino[5,4-b]pyran-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-4H-[1]benzothiepino[5,4-b]pyran-3-carbonitrile",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2OC(=C(C3C4=CC(=C(C(=C4)OC)OC)OC)C#N)N","UINNHOHVSPYUAV-UHFFFAOYSA-N",391889,NA,"PDBC15235","691570","Present",NA,NA
+"15236","2-Amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-10-methyl-7,7-dioxo-4-(3,4,5-trimethoxyphenyl)-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC(=C(C(=C4)OC)OC)OC)N)C#N","HKZFUXJJZSKDNY-UHFFFAOYSA-N",391899,NA,"PDBC15236","691580","Present",NA,NA
+"15237","2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC=CC=C4)N)C#N","UTZXAYUGRFUTPT-UHFFFAOYSA-N",391895,NA,"PDBC15237","691576","Present",NA,NA
+"15238","2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-10-methyl-7,7-dioxo-4-phenyl-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C(C(=C(N=C32)N)C#N)C4=CC=CC=C4","CDEXZLLGCPPROD-UHFFFAOYSA-N",391890,NA,"PDBC15238","691571","Present",NA,NA
+"15239","2-Amino-12-phosphonododecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-12-phosphonododecanoic acid",NA,"C(CCCCCP(=O)(O)O)CCCCC(C(=O)O)N","UGHQIHAHHYECCO-UHFFFAOYSA-N",383686,NA,"PDBC15239","672106","Present",NA,NA
+"15240","2-Amino-2',3'-dideoxynebularine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-2',3'-dideoxynebularine",NA,"C1CC(OC1CO)N2C=NC3=CN=C(N=C32)N","HXUIKBBUGWIQMV-UHFFFAOYSA-N",363761,NA,"PDBC15240","628953","Present",NA,NA
+"15241","2-Amino-2,4-diphenylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-2,4-diphenylbutanoic acid",NA,"C1=CC=C(C=C1)CCC(C2=CC=CC=C2)(C(=O)O)N","HDKPQSNBAWZWNW-UHFFFAOYSA-N",234093,NA,"PDBC15241","33389","Present",NA,NA
+"15242","2-Amino-2-[4-(benzyloxy)phenyl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KM4256",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)C(CO)N","YWWWBFXZRQYHEV-UHFFFAOYSA-N",357737,NA,"PDBC15242","617256","Present",NA,NA
+"15243","2-Amino-2-[4-[10-[4-[amino(cyano)methyl]phenoxy]decoxy]phenyl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-2-[4-[10-[4-[amino(cyano)methyl]phenoxy]decoxy]phenyl]acetonitrile",NA,"C1=CC(=CC=C1C(C#N)N)OCCCCCCCCCCOC2=CC=C(C=C2)C(C#N)N","HAUCJFOUGDOZIP-UHFFFAOYSA-N",387692,NA,"PDBC15243","681721","Present",NA,NA
+"15244","2-Amino-2-benzylbutanedioic acid;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-2-benzylbutanedioic acid;hydrobromide",NA,"C1=CC=C(C=C1)CC(CC(=O)O)(C(=O)O)N.Br","BDFBLEPVFVVFJQ-UHFFFAOYSA-N",5351976,NA,"PDBC15244","117441","Present",NA,NA
+"15245","2-Amino-2-ethyl-3-methylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Valine, 2-ethyl-",NA,"CCC(C(C)C)(C(=O)O)N","ZREHYDMEQQDRGS-UHFFFAOYSA-N",235534,NA,"PDBC15245","37018","Present",NA,NA
+"15246","2-Amino-2-oxoethyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-2-oxoethyl 6-chloroimidazo[2,1-b][1,3]thiazole-5-carboxylate",NA,"C1=CSC2=NC(=C(N21)C(=O)OCC(=O)N)Cl","YZQSQMLTNNLOQX-UHFFFAOYSA-N",369513,NA,"PDBC15246","641293","Present",NA,NA
+"15247","2-Amino-2-phenylethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenylglycinol",NA,"C1=CC=C(C=C1)C(CO)N","IJXJGQCXFSSHNL-UHFFFAOYSA-N",92466,NA,"PDBC15247","617248","Present",NA,NA
+"15248","2-Amino-3,3a-diaza-3aH-cyclopent[a]azulene-1-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-amino-2,3-diazatricyclo[6.5.0.02,6]trideca-1(13),3,5,7,9,11-hexaene-5-carboxylate",NA,"CCOC(=O)C1=C2C=C3C=CC=CC=C3N2N=C1N","WCFDWPWESRQLJP-UHFFFAOYSA-N",397379,NA,"PDBC15248","705086","Present",NA,NA
+"15249","2-Amino-3,5-dinitrobenzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzonitrile, 2-amino-3,5-dinitro- (9CI)",NA,"C1=C(C=C(C(=C1C#N)N)[N+](=O)[O-])[N+](=O)[O-]","RIYSFSQPHCAGLS-UHFFFAOYSA-N",89765,NA,"PDBC15249","510656","Present",NA,NA
+"15250","2-Amino-3-(2-iodo-1H-imidazol-5-yl)propanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-(2-iodo-1H-imidazol-5-yl)propanoic acid;hydrochloride",NA,"C1=C(NC(=N1)I)CC(C(=O)O)N.Cl","VKACKWXQDNNZNK-UHFFFAOYSA-N",402578,NA,"PDBC15250","716706","Present",NA,NA
+"15251","2-Amino-3-(2H-tetrazol-5-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-tetraazol-5-yl)alanine",NA,"C(C1=NNN=N1)C(C(=O)O)N","UHDMAEPGMOIEHH-UHFFFAOYSA-N",299876,NA,"PDBC15251","173723","Present",NA,NA
+"15252","2-Amino-3-(3,4-bis(benzyloxy)-2-(hydroxy(oxido)amino)phenyl)acrylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-(3,4-bis(benzyloxy)-2-(hydroxy(oxido)amino)phenyl)acrylic acid",NA,"C1=CC=C(C=C1)COC2=C(C(=C(C=C2)C=C(C(=O)O)N)[N+](=O)[O-])OCC3=CC=CC=C3","YJMUVEHAOQERPK-UYRXBGFRSA-N",5387849,NA,"PDBC15252","628306","Present",NA,NA
+"15253","2-Amino-3-(3,4-dimethoxybenzylaminomethyleneamino)maleonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670239",NA,"COC1=C(C=C(C=C1)CN=CNC(=C(C#N)N)C#N)OC","NQZKMLVSOQVUEJ-QXMHVHEDSA-N",5468433,NA,"PDBC15253","670239","Present",NA,NA
+"15254","2-Amino-3-(3-nitrophenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-87844",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])CC(C(=O)O)N","YTHDRUZHNYKZGF-UHFFFAOYSA-N",228814,NA,"PDBC15254","21948","Present",NA,NA
+"15255","2-Amino-3-(4-chlorophenyl)-4-fluoro-1-naphthonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-(4-chlorophenyl)-4-fluoronaphthalene-1-carbonitrile",NA,"C1=CC=C2C(=C1)C(=C(C(=C2F)C3=CC=C(C=C3)Cl)N)C#N","CDBULKDEAOUJKR-UHFFFAOYSA-N",388630,NA,"PDBC15255","683641","Present",NA,NA
+"15256","2-Amino-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"itir",NA,"C1=C(C=C(C(=C1I)O)I)CC(C(=O)O)N","NYPYHUZRZVSYKL-UHFFFAOYSA-N",6181,NA,"PDBC15256","208959","Present",NA,NA
+"15257","2-Amino-3-(4-hydroxyanilino)propanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-(4-hydroxyanilino)propanoic acid;hydrochloride",NA,"C1=CC(=CC=C1NCC(C(=O)O)N)O.Cl","JMHWWDULOHKOFJ-UHFFFAOYSA-N",24199598,NA,"PDBC15257","337779","Present",NA,NA
+"15258","2-Amino-3-(4-methanesulfonamidophenyl)-5-phenylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK586581A",NA,"CS(=O)(=O)NC1=CC=C(C=C1)C2=C(C(=CC(=C2)C3=CC=CC=C3)C(=O)N)N","WGNQUKSMRNUEGI-UHFFFAOYSA-N",16048194,NA,"PDBC15258","756180","Present",NA,NA
+"15259","2-Amino-3-(5-hydroxy-2-pyridinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-(5-hydroxy-2-pyridinyl)propanamide",NA,"C1=CC(=NC=C1O)CC(C(=O)N)N","YYKSPECTEPGNCJ-UHFFFAOYSA-N",385336,NA,"PDBC15259","676453","Present",NA,NA
+"15260","2-Amino-3-(5-phenylmethoxypyridin-2-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-(Benzyloxy)-2-pyridinyl)alanine",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)CC(C(=O)O)N","JBOGYXJLBXWFIA-UHFFFAOYSA-N",385339,NA,"PDBC15260","676457","Present",NA,NA
+"15261","2-Amino-3-(6-nitro-1H-indol-3-yl)propanoic acid; nitric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-(6-nitro-1H-indol-3-yl)propanoic acid; nitric acid",NA,"C1=CC2=C(C=C1[N+](=O)[O-])NC=C2CC(C(=O)O)N.[N+](=O)(O)[O-]","XYWHWMVYUNUULH-UHFFFAOYSA-N",5351855,NA,"PDBC15261","65763","Present",NA,NA
+"15262","2-Amino-3-(methylsulfanylmethylsulfanyl)propan-1-ol;(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-(methylsulfanylmethylsulfanyl)propan-1-ol;(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid",NA,"CC1=C(C(=O)NC(=O)N1)C=CC(=O)O.CSCSCC(CO)N","KJMPAVJPAJIYLI-SQQVDAMQSA-N",5383636,NA,"PDBC15262","177935","Present",NA,NA
+"15263","2-Amino-3-(p-chlorophenylsulfonyl)-4,5-dimethylfuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-(p-chlorophenylsulfonyl)-4,5-dimethylfuran",NA,"CC1=C(OC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)N)C","SDDOQDBWKMJJBA-UHFFFAOYSA-N",393682,NA,"PDBC15263","696058","Present",NA,NA
+"15264","2-Amino-3-(pyridazin-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyridazinealanine",NA,"C1=CC(=NN=C1)CC(C(=O)O)N","BGMINVIHGGTWEC-UHFFFAOYSA-N",258955,NA,"PDBC15264","88418","Present",NA,NA
+"15265","2-Amino-3-[(2-amino-3-oxo-3-prop-2-ynoxypropyl)disulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-[(2-amino-3-oxo-3-prop-2-ynoxypropyl)disulfanyl]propanoic acid",NA,"C#CCOC(=O)C(CSSCC(C(=O)O)N)N","CJEMQWXFMIWIHU-UHFFFAOYSA-N",387277,NA,"PDBC15265","680928","Present",NA,NA
+"15266","2-Amino-3-[1,3-benzodioxol-5-yl(diphenyl)methyl]sulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alanine, 3-[(.alpha.,.alpha.-diphenylpiperonyl)thio]-, L-",NA,"C1OC2=C(O1)C=C(C=C2)C(C3=CC=CC=C3)(C4=CC=CC=C4)SCC(C(=O)O)N","GOAVOFCRODIGFE-UHFFFAOYSA-N",281457,NA,"PDBC15266","134250","Present",NA,NA
+"15267","2-Amino-3-[2-(phosphonomethyl)phenyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phosphonometh-ylene phenylalanine",NA,"C1=CC=C(C(=C1)CC(C(=O)O)N)CP(=O)(O)O","MRGUIJVNFRTRSF-UHFFFAOYSA-N",383689,NA,"PDBC15267","672109","Present",NA,NA
+"15268","2-Amino-3-[4-(diaminomethylideneamino)phenyl]propanoic acid;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-(4-guanidinophenyl)propanoic acid; 2,2,2-trifluoroacetic acid",NA,"C1=CC(=CC=C1CC(C(=O)O)N)N=C(N)N.C(=O)(C(F)(F)F)O","MVIVGVILDDAMMT-UHFFFAOYSA-N",388721,NA,"PDBC15268","683778","Present",NA,NA
+"15269","2-Amino-3-[4-(phosphonomethyl)phenyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL526507",NA,"C1=CC(=CC=C1CC(C(=O)O)N)CP(=O)(O)O","SAQLLHDEEMZENJ-UHFFFAOYSA-N",383690,NA,"PDBC15269","672110","Present",NA,NA
+"15270","2-Amino-3-[[4-[4-[[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]benzoyl]phenyl]methylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-3-[[4-[4-[[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]benzoyl]phenyl]methylsulfanyl]propanoic acid",NA,"C1CN(CCN1CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)CC5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)CSCC(C(=O)O)N","YUBQXCPUKVAUCZ-UHFFFAOYSA-N",386760,NA,"PDBC15270","679439","Present",NA,NA
+"15271","2-Amino-3-[hexadecoxy(hydroxy)phosphoryl]oxypropanoic acid;azane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669257",NA,"CCCCCCCCCCCCCCCCOP(=O)(O)OCC(C(=O)O)N.N","FSCKERFULWXNGK-UHFFFAOYSA-N",381936,NA,"PDBC15271","669257","Present",NA,NA
+"15272","2-Amino-3-[hexadecyl(hydroxy)phosphoryl]oxypropanoic acid;azane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669265",NA,"CCCCCCCCCCCCCCCCP(=O)(O)OCC(C(=O)O)N.N","ONCIVIPVSASHFJ-UHFFFAOYSA-N",381952,NA,"PDBC15272","669265","Present",NA,NA
+"15273","2-Amino-3-anthracen-9-ylpropanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666515",NA,"C1=CC=C2C(=C1)C=C3C=CC=CC3=C2CC(C(=O)O)N.Cl","MMZZUNBMDQQUDS-UHFFFAOYSA-N",380795,NA,"PDBC15273","666515","Present",NA,NA
+"15274","2-Amino-3-benzothiazol-2-yl-1-(2,4-dichlorophenyl)-2-pyrrolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-amino-4-(1,3-benzothiazol-2-yl)-1-(2,4-dichlorophenyl)...",NA,"C1C(=C(C(=N)N1C2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3)O","SNCZUICERNCZEJ-UHFFFAOYSA-N",135417075,NA,"PDBC15274","732966","Present",NA,NA
+"15275","2-Amino-3-benzylsulfanyl-3-methylbutanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC28059",NA,"CC(C)(C(C(=O)O)N)SCC1=CC=CC=C1.Cl","TWPMSVWXNKQWGL-UHFFFAOYSA-N",20337697,NA,"PDBC15275","28059","Present",NA,NA
+"15276","2-Amino-3-benzylsulfanylpropanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC43125",NA,"C1=CC=C(C=C1)CSCC(C(=O)O)N.Cl","GPSDMSOGJZNLFX-UHFFFAOYSA-N",54605496,NA,"PDBC15276","43125","Present",NA,NA
+"15277","2-Amino-3-bromo-5H-phenanthridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-bromophenanthridin-6(5h)-one",NA,"C1=CC=C2C(=C1)C3=CC(=C(C=C3NC2=O)Br)N","JUWATXLBBNLMDU-UHFFFAOYSA-N",271216,NA,"PDBC15277","114658","Present",NA,NA
+"15278","2-Amino-3-cyano-5,6-dihydro-4-(4-methylphenyl)[1]benzothiepino[5,4-b]pyridine 7,7-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-cyano-5,6-dihydro-4-(4-methylphenyl)[1]benzothiepino[5,4-b]pyridine 7,7-dioxide",NA,"CC1=CC=C(C=C1)C2=C3CCS(=O)(=O)C4=CC=CC=C4C3=NC(=C2C#N)N","PLAPUURTMRPLSM-UHFFFAOYSA-N",391893,NA,"PDBC15278","691574","Present",NA,NA
+"15279","2-Amino-3-hydroxy-1H-phenalen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-hydroxy-1H-phenalen-1-one",NA,"C1=CC2=C3C(=C1)C(=C(C(=O)C3=CC=C2)N)O","LFWCWFKXKIEFLZ-UHFFFAOYSA-N",363036,NA,"PDBC15279","627580","Present",NA,NA
+"15280","2-Amino-3-hydroxy-4,6-dimethylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-hydroxy-4,6-dimethylbenzoic acid",NA,"CC1=CC(=C(C(=C1C(=O)O)N)O)C","UFBPBVLZFSWYOH-UHFFFAOYSA-N",362109,NA,"PDBC15280","625638","Present",NA,NA
+"15281","2-Amino-3-methyl-2-phenylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-phenylvaline",NA,"CC(C)C(C1=CC=CC=C1)(C(=O)O)N","XAWIYXBFKANEFM-UHFFFAOYSA-N",242852,NA,"PDBC15281","51810","Present",NA,NA
+"15282","2-Amino-3-nitrobenzoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-nitroanthranilate",NA,"CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])N","MIVXXTKDCKQHCD-UHFFFAOYSA-N",393670,NA,"PDBC15282","696044","Present",NA,NA
+"15283","2-Amino-3-phenyl-5-(pyridin-4-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK625137A",NA,"C1=CC=C(C=C1)C2=C(C(=CC(=C2)C3=CC=NC=C3)C(=O)N)N","KDDJEKWJEFRYAO-UHFFFAOYSA-N",16048415,NA,"PDBC15283","756185","Present",NA,NA
+"15284","2-Amino-3-phosphonopropionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC133887",NA,"C(C(C(=O)O)N)P(=O)(O)O","LBTABPSJONFLPO-UHFFFAOYSA-N",3857,NA,"PDBC15284","133887","Present",NA,NA
+"15285","2-Amino-3-tosylthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiophenamine, 3-[(4-methylphenyl)sulfonyl]-",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)N","PRMUNYNCJVLDDI-UHFFFAOYSA-N",487030,NA,"PDBC15285","764699","Present",NA,NA
+"15286","2-Amino-3-{[9-(4-chlorophenyl)-9H-fluoren-9-yl]sulfanyl}propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-3-{[9-(4-chlorophenyl)-9H-fluoren-9-yl]sulfanyl}...",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)SCC(C(=O)O)N","BZRSNJXOHYRQSB-UHFFFAOYSA-N",276215,NA,"PDBC15286","123526","Present",NA,NA
+"15287","2-Amino-3H-phenoxazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Questiomycin A",NA,"C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N","RDJXPXHQENRCNG-UHFFFAOYSA-N",72725,NA,"PDBC15287","94945","Present",NA,NA
+"15288","2-Amino-4(3,5-trimethyl-2-pyrazolino)-6-(2-imino-2H-chrome n-3-yl)-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4(3,5,5-trimethyl-2-pyrazolino)-6-(2-imino-2H-ch...",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C3=CC4=CC=CC=C4OC3=N","AZYCYICZXUILFM-UHFFFAOYSA-N",404408,NA,"PDBC15288","720624","Present",NA,NA
+"15289","2-Amino-4,4-diethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4,4-diethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile",NA,"CCOC1(C2(C(C23C(=NN(C3=O)C(C)C)C)(C(=N1)N)C#N)C#N)OCC","PDLDYFLRDISGBV-UHFFFAOYSA-N",395675,NA,"PDBC15289","700457","Present",NA,NA
+"15290","2-Amino-4,4-dimethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4,4-dimethoxy-3'-methyl-5'-oxo-1'-propan-2-ylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1,5-dicarbonitrile",NA,"CC1=NN(C(=O)C12C3(C2(C(N=C3N)(OC)OC)C#N)C#N)C(C)C","QSNWLKKGYGFRDD-UHFFFAOYSA-N",395677,NA,"PDBC15290","700459","Present",NA,NA
+"15291","2-Amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15,18-hexaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide",NA,"CC1C(C(=O)NC(C(=O)N2CC(=O)CC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CC(=O)CN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C","YIZWQZWOZWUCAF-UHFFFAOYSA-N",389207,NA,"PDBC15291","684903","Present",NA,NA
+"15292","2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[[2-Amino-5-[(E)-hydroxyiminomethyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclobutyl]methanol",NA,"C1C(CC1(CNC2=NC(=NC=C2C=NO)N)CO)CCC3=CC=CC=C3","KIVFUQCQDIUXCF-FOKLQQMPSA-N",9571514,NA,"PDBC15292","676318","Present",NA,NA
+"15293","2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-5-pyrimidinecarbonitrile",NA,"C1C(CC1(CNC2=NC(=NC=C2C#N)N)CO)CCC3=CC=CC=C3","WBDGIJDTEFRZGO-UHFFFAOYSA-N",385200,NA,"PDBC15293","676314","Present",NA,NA
+"15294","2-Amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(1-methylpyrrol-2-yl)-6-phenylpyridine-3-carbonitrile",NA,"CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC=CC=C3","MRICSKKXUHABEX-UHFFFAOYSA-N",3355365,NA,"PDBC15294","735023","Present",NA,NA
+"15295","2-Amino-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(1-methylpyrrol-2-yl)-6-thiophen-2-ylpyridine-3-carbonitrile",NA,"CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC=CS3","WIKWYPXMLGXRIS-UHFFFAOYSA-N",24205319,NA,"PDBC15295","735026","Present",NA,NA
+"15296","2-Amino-4-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenol",NA,"C1CC(C2=C(C1)C3=CC=CC=C3N2)C4=CC(=C(C=C4)O)N","VYACWSLTOLRITQ-UHFFFAOYSA-N",396623,NA,"PDBC15296","703122","Present",NA,NA
+"15297","2-Amino-4-(2,3-dihydro-1-benzofuran-5-yl)-7-(dimethylamino)-4H-chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2,3-dihydrobenzofuran-5-yl)-7-(dimethylamino)...",NA,"CN(C)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC4=C(C=C3)OCC4","FURBAIGAMDGGQK-UHFFFAOYSA-N",155810515,NA,"PDBC15297","787853","Present",NA,NA
+"15298","2-Amino-4-(2,4-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2,4-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,"C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=C(C=C(C=C3)Cl)Cl)C#N","GMYXGLNWLZPYRO-UHFFFAOYSA-N",24205399,NA,"PDBC15298","735367","Present",NA,NA
+"15299","2-Amino-4-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2,5-dimethoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,"COC1=CC(=C(C=C1)OC)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N","GPAPNEQMWXTJCF-UHFFFAOYSA-N",24205479,NA,"PDBC15299","736017","Present",NA,NA
+"15300","2-Amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2,6-dichlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,"C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=C(C=CC=C3Cl)Cl)C#N","ANYQIERYTIYGGT-UHFFFAOYSA-N",16721101,NA,"PDBC15300","736022","Present",NA,NA
+"15301","2-Amino-4-(2-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,"C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3Cl)C#N","UQZMPJFSOLDTGW-UHFFFAOYSA-N",24205398,NA,"PDBC15301","735366","Present",NA,NA
+"15302","2-Amino-4-(2-fluoroethylsulfanyl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(2-Fluoroethyl)homocysteine",NA,"C(CSCCF)C(C(=O)O)N","CSFLEMJGXABSEB-UHFFFAOYSA-N",369088,NA,"PDBC15302","640645","Present",NA,NA
+"15303","2-Amino-4-(2-furyl)-3-[4-(2-oxochromen-3-yl)thiazol-2-yl]-4H-pyrano[3,2-c]chromen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2-furyl)-3-[4-(2-oxochromen-3-yl)thiazol-2-yl]-4H-pyrano[3,2-c]chromen-5-one",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=C(OC5=C(C4C6=CC=CO6)C(=O)OC7=CC=CC=C75)N","ZTPBPUHDGMUMBZ-UHFFFAOYSA-N",380522,NA,"PDBC15303","666136","Present",NA,NA
+"15304","2-Amino-4-(2-hydroxy-4-benzyloxy)phenyl-6-phenyl pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2-hydroxy-4-benzyloxy)phenyl-6-phenyl pyrimidine",NA,"C1=CC=C(C=C1)COC2=CC(=C(C=C2)C3=NC(=NC(=C3)C4=CC=CC=C4)N)O","ZRAUXVNABAJBBZ-UHFFFAOYSA-N",396353,NA,"PDBC15304","702157","Present",NA,NA
+"15305","2-Amino-4-(2-hydroxy-4-methylphenyl)-5-phenylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2-hydroxy-4-methylphenyl)-5-phenylpyrimidine",NA,"CC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N)O","GWEZZAKETCTQQW-UHFFFAOYSA-N",392744,NA,"PDBC15305","693547","Present",NA,NA
+"15306","2-Amino-4-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydro-4H-...",NA,"COC1=CC=CC=C1C2C(=C(OC3=C2C(=O)CCC3)N)C#N","JULYGUIJHXRQJF-UHFFFAOYSA-N",3155404,NA,"PDBC15306","737794","Present",NA,NA
+"15307","2-Amino-4-(2-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2-methoxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile",NA,"COC1=CC=CC=C1C2=C(C(=S)NC(=C2C#N)N)C#N","CDVAJLNDUGZHDJ-UHFFFAOYSA-N",5471622,NA,"PDBC15307","712233","Present",NA,NA
+"15308","2-Amino-4-(2-phosphonoethoxy)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2-phosphonoethoxy)butanoic acid",NA,"C(COCCP(=O)(O)O)C(C(=O)O)N","HXZOETVUSMRLBL-UHFFFAOYSA-N",383687,NA,"PDBC15308","672107","Present",NA,NA
+"15309","2-Amino-4-(2-{[2-(3-amino-3-carboxy-propoxy)-ethyl]-hydroxy-phosphinoyl}-ethoxy)-butyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(2-{[2-(3-amino-3-carboxy-propoxy)-ethyl]-hydroxy-phosphinoyl}-ethoxy)-butyric acid",NA,"C(COCCP(=O)(CCOCCC(C(=O)O)N)O)C(C(=O)O)N","YFAZENOPUOGDST-UHFFFAOYSA-N",383694,NA,"PDBC15309","672114","Present",NA,NA
+"15310","2-Amino-4-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrano[3,2-c]chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3,4,5-trimethoxyphenyl)-2,5-dihydropyrano[5,6-c]chromene-3-carbonitrile",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C(OC3=C2COC4=CC=CC=C43)N)C#N","XXIXKHXWHRNPMV-UHFFFAOYSA-N",399089,NA,"PDBC15310","709505","Present",NA,NA
+"15311","2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3,4-dihydroxy-5-methoxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile",NA,"COC1=CC(=CC(=C1O)O)C=C(C#N)C(=C(C#N)C#N)N","CFTKDBCVQAYOLY-XNWCZRBMSA-N",5328808,NA,"PDBC15311","650565","Present",NA,NA
+"15312","2-Amino-4-(3,4-dimethoxyphenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3,4-dimethoxyphenyl)-1-(2-ethylphenyl)-6-oxopyridine-3,5-dicarbonitrile",NA,"CCC1=CC=CC=C1N2C(=C(C(=C(C2=O)C#N)C3=CC(=C(C=C3)OC)OC)C#N)N","CAKMKRNPAUFXFY-UHFFFAOYSA-N",54612904,NA,"PDBC15312","749717","Present",NA,NA
+"15313","2-Amino-4-(3,4-dimethoxyphenyl)-10-methyl-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1]Benzothiepino[4,5-c]pyridine-1-carbonitrile, 2-amino-...",NA,"CC1=CC2=C(C=C1)SCCC3=C2C(=C(N=C3C4=CC(=C(C=C4)OC)OC)N)C#N","DBDLXFVQIGKEFV-UHFFFAOYSA-N",391881,NA,"PDBC15313","691562","Present",NA,NA
+"15314","2-Amino-4-(3,4-dimethoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-(3,4-dimethoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC(=C(C=C4)OC)OC)N)C#N","WQDCLENFFBYQPF-UHFFFAOYSA-N",391898,NA,"PDBC15314","691579","Present",NA,NA
+"15315","2-Amino-4-(3-bromo-4,5-dihydroxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3-bromo-4,5-dihydroxyphenyl)-1,3-butadiene-1,1,3-tricarbonitrile",NA,"C1=C(C=C(C(=C1O)O)Br)C=C(C#N)C(=C(C#N)C#N)N","RMDQRGMZCBNAHG-UNXLUWIOSA-N",5328809,NA,"PDBC15315","650564","Present",NA,NA
+"15316","2-Amino-4-(3-bromophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3-bromophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile",NA,"CC1=CC(=C(C=C1)O)C2=NC(=C(C(=C2)C3=CC(=CC=C3)Br)C#N)N","RQJBOJZLTLILPA-UHFFFAOYSA-N",403649,NA,"PDBC15316","718717","Present",NA,NA
+"15317","2-Amino-4-(3-bromophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3-bromophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile",NA,"C1=CC(=CC(=C1)Br)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)Cl","RSHHUCBDVMEWED-UHFFFAOYSA-N",403648,NA,"PDBC15317","718716","Present",NA,NA
+"15318","2-Amino-4-(3-chlorophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3-chlorophenyl)-6-(2-hydroxy-5-methylphenyl)pyridine-3-carbonitrile",NA,"CC1=CC(=C(C=C1)O)C2=NC(=C(C(=C2)C3=CC(=CC=C3)Cl)C#N)N","FPHNUENIJGFUFB-UHFFFAOYSA-N",403637,NA,"PDBC15318","718705","Present",NA,NA
+"15319","2-Amino-4-(3-chlorophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3-chlorophenyl)-6-(4-chlorophenyl)pyridine-3-carbonitrile",NA,"C1=CC(=CC(=C1)Cl)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)Cl","PJEZIDRRUAJDPV-UHFFFAOYSA-N",403636,NA,"PDBC15319","718704","Present",NA,NA
+"15320","2-Amino-4-(3-hydroxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3-hydroxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,"C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC(=CC=C3)O)C#N","SWGZNEVMZZMMLK-UHFFFAOYSA-N",24205400,NA,"PDBC15320","735368","Present",NA,NA
+"15321","2-Amino-4-(3-methoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-(3-methoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC(=CC=C4)OC)N)C#N","HFFQBKPMGSAMCX-UHFFFAOYSA-N",391896,NA,"PDBC15321","691577","Present",NA,NA
+"15322","2-Amino-4-(3-methoxyphenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-3-cyano-5,6-dihydro-4-(3-methoxyphenyl)-10-methyl[1]benzothiepino[5,4-b]pyridine 7,7-dioxide",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C(C(=C(N=C32)N)C#N)C4=CC(=CC=C4)OC","PFBYSYPVPWOQOF-UHFFFAOYSA-N",391891,NA,"PDBC15322","691572","Present",NA,NA
+"15323","2-Amino-4-(4-(2-methoxyphenyl)-1,3-thiazol-2-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-(2-methoxyphenyl)-1,3-thiazol-2-yl)butanoic acid",NA,"COC1=CC=CC=C1C2=CSC(=N2)CCC(C(=O)O)N","XIVSAXZSRNYBPH-UHFFFAOYSA-N",363918,NA,"PDBC15323","629307","Present",NA,NA
+"15324","2-Amino-4-(4-(4-chlorophenyl)-1,3-thiazol-2-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-(4-chlorophenyl)-1,3-thiazol-2-yl)butanoic acid",NA,"C1=CC(=CC=C1C2=CSC(=N2)CCC(C(=O)O)N)Cl","NSQBRJKZQPANCA-UHFFFAOYSA-N",363917,NA,"PDBC15324","629306","Present",NA,NA
+"15325","2-Amino-4-(4-amino-3-hydroxyphenyl)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-amino-3-hydroxyphenyl)-4-oxobutanoic acid",NA,"C1=CC(=C(C=C1C(=O)CC(C(=O)O)N)O)N","KMHNEIZAFDEMFS-UHFFFAOYSA-N",272022,NA,"PDBC15325","116064","Present",NA,NA
+"15326","2-Amino-4-(4-bromophenyl)-4,5-dihydrothiochromeno[4,3-b]pyran-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-bromophenyl)-4h,5h-thiochromeno[4,3-b]pyran-3-carbonitrile",NA,"C1C2=C(C3=CC=CC=C3S1)OC(=C(C2C4=CC=C(C=C4)Br)C#N)N","BIZRZGQDRYKZON-UHFFFAOYSA-N",403888,NA,"PDBC15326","719472","Present",NA,NA
+"15327","2-Amino-4-(4-bromophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-bromophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbothioamide",NA,"C1=CC=C2C(=C1)C3=C(C(C(=C(O3)N)C(=S)N)C4=CC=C(C=C4)Br)C(=O)O2","IJQQZLKNYUBSBS-UHFFFAOYSA-N",3000695,NA,"PDBC15327","666133","Present",NA,NA
+"15328","2-Amino-4-(4-bromophenyl)-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-bromophenyl)-5H-thiochromeno[4,3-b]pyridine-3-carbonitrile",NA,"C1C2=C(C(=C(N=C2C3=CC=CC=C3S1)N)C#N)C4=CC=C(C=C4)Br","FGOZPTYFVGCLDW-UHFFFAOYSA-N",403887,NA,"PDBC15328","719471","Present",NA,NA
+"15329","2-Amino-4-(4-bromophenyl)-7,7-dimethyl-3-(4-phenyl-1,3-thiazol-2-yl)-4,6,7,8-tetrahydro-5H-chromen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-bromophenyl)-7,7-dimethyl-3-(4-phenylthiazol-2-yl)-6,8-dihydro-4H-chromen-5-one",NA,"CC1(CC2=C(C(C(=C(O2)N)C3=NC(=CS3)C4=CC=CC=C4)C5=CC=C(C=C5)Br)C(=O)C1)C","ATHBFDFSEKWPMV-UHFFFAOYSA-N",380518,NA,"PDBC15329","666132","Present",NA,NA
+"15330","2-Amino-4-(4-chlorophenyl)-10-methyl-5,6-dihydro[1]benzothiepino[4,5-c]pyridine-1-carbonitrile 7,7-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-chlorophenyl)-10-methyl-5,6-dihydro[1]benzothiepino[4,5-c]pyridine-1-carbonitrile 7,7-dioxide",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C2C(=C(N=C3C4=CC=C(C=C4)Cl)N)C#N","ICFPVRKMJQKYNY-UHFFFAOYSA-N",391897,NA,"PDBC15330","691578","Present",NA,NA
+"15331","2-Amino-4-(4-chlorophenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-(4-chlorophenyl)-10-methyl-7,7-dioxo-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC3=C(C(=C(N=C32)N)C#N)C4=CC=C(C=C4)Cl","KLQUWHRFSVSGAU-UHFFFAOYSA-N",391892,NA,"PDBC15331","691573","Present",NA,NA
+"15332","2-Amino-4-(4-chlorophenyl)-6-(2-aminophenylthio)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(2-aminophenyl)sulfanyl-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile",NA,"C1=CC=C(C(=C1)N)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N","RWJFELALMUYKGK-UHFFFAOYSA-N",395920,NA,"PDBC15332","701015","Present",NA,NA
+"15333","2-Amino-4-(4-chlorophenyl)-6-[4-[(7-chloroquinolin-4-yl)amino]phenyl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-chlorophenyl)-6-[4-[(7-chloro-4-quinolyl)amino]phenyl]pyridine-3-carbonitrile",NA,"C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)N)NC4=C5C=CC(=CC5=NC=C4)Cl","ZUJULRAQZYOOSO-UHFFFAOYSA-N",396047,NA,"PDBC15333","701374","Present",NA,NA
+"15334","2-Amino-4-(4-chlorophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-chlorophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile",NA,"C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C#N)N)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F","ZKNPLNOOMLEKKX-UHFFFAOYSA-N",396055,NA,"PDBC15334","701382","Present",NA,NA
+"15335","2-Amino-4-(4-chlorophenyl)-6-morpholinopyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-chlorophenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,"C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N","DETBPYKKSBZMFZ-UHFFFAOYSA-N",24205401,NA,"PDBC15335","735369","Present",NA,NA
+"15336","2-Amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-3-ylethylideneamino]pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-3-ylethylideneamino]pyridine-3,5-dicarbonitrile",NA,"CC(=NN1C(=C(C(=C(C1=O)C#N)C2=CC=C(C=C2)Cl)C#N)N)C3=CN=CC=C3","PUZDFLZNJZXOKP-RPPGKUMJSA-N",11696754,NA,"PDBC15336","734789","Present",NA,NA
+"15337","2-Amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-chlorophenyl)-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile",NA,"CC(=NN1C(=C(C(=C(C1=O)C#N)C2=CC=C(C=C2)Cl)C#N)N)C3=CC=NC=C3","LTUXUHKNXSJGLQ-RPPGKUMJSA-N",11516616,NA,"PDBC15337","734788","Present",NA,NA
+"15338","2-Amino-4-(4-chlorophenyl)-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-chlorophenyl)-7,7-dioxo-5,6-dihydro-[1]benzothiepino[4,5-c]pyridine-1-carbonitrile",NA,"C1CS(=O)(=O)C2=CC=CC=C2C3=C1C(=NC(=C3C#N)N)C4=CC=C(C=C4)Cl","FWDKOPAYGFJDEM-UHFFFAOYSA-N",391888,NA,"PDBC15338","691569","Present",NA,NA
+"15339","2-Amino-4-(4-dimethylaminophenyl)-6-sulfanyl-pyridine-3,5-dicarbonitrile; morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-dimethylaminophenyl)-6-sulfanyl-pyridine-3,5-dicarbonitrile; morpholine",NA,"CN(C)C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N.C1COCCN1","DVYLNFLMDCURGK-UHFFFAOYSA-N",3005693,NA,"PDBC15339","666138","Present",NA,NA
+"15340","2-Amino-4-(4-hydroxyphenyl)-6-thiomorpholin-4-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-hydroxyphenyl)-6-thiomorpholin-4-ylpyridine-3,5-dicarbonitrile",NA,"C1CSCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)O)C#N","ROYOEKXTTUODAA-UHFFFAOYSA-N",135580425,NA,"PDBC15340","737052","Present",NA,NA
+"15341","2-Amino-4-(4-methoxynaphthalen-1-yl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-methoxynaphthalen-1-yl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile",NA,"COC1=CC=C(C2=CC=CC=C21)C3=CC(=NC(=C3C#N)N)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F","LPWIZSKSAKBHAM-UHFFFAOYSA-N",396058,NA,"PDBC15341","701385","Present",NA,NA
+"15342","2-Amino-4-(4-methoxyphenyl)-6-(2-aminophenylthio)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(2-aminophenyl)sulfanyl-4-(4-methoxyphenyl)pyridine-3,5-dicarbonitrile",NA,"COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3N)N)C#N","JGWIFBXETKVSCO-UHFFFAOYSA-N",395923,NA,"PDBC15342","701018","Present",NA,NA
+"15343","2-Amino-4-(4-methoxyphenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-methoxyphenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F","UYWPQCPEYPUKEV-UHFFFAOYSA-N",396057,NA,"PDBC15343","701384","Present",NA,NA
+"15344","2-Amino-4-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-methoxyphenyl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,"COC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N","PGRIQJCMNMMQNZ-UHFFFAOYSA-N",24205481,NA,"PDBC15344","736019","Present",NA,NA
+"15345","2-Amino-4-(4-methoxyphenyl)-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-methoxyphenyl)-6-sulfanylidene-1-(3,4,5-trihydroxyoxan-2-yl)pyridine-3,5-dicarbonitrile",NA,"COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(CO3)O)O)O)C#N","MSADRBPTGSPSRW-UHFFFAOYSA-N",3005162,NA,"PDBC15345","678079","Present",NA,NA
+"15346","2-Amino-4-(4-methoxyphenyl)-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678062///NSC678067",NA,"COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(C(O3)CO)O)O)O)C#N","POBZZJDAVXKLIA-UHFFFAOYSA-N",3005861,NA,"PDBC15346","678062///678067","Present",NA,NA
+"15347","2-Amino-4-(4-methoxyphenyl)-7,7-dioxo-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-methoxyphenyl)-7,7-dioxo-5,6-dihydro-[1]benzothiepino[5,4-b]pyridine-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=C3CCS(=O)(=O)C4=CC=CC=C4C3=NC(=C2C#N)N","GKUDKCUNCIVKGN-UHFFFAOYSA-N",391894,NA,"PDBC15347","691575","Present",NA,NA
+"15348","2-Amino-4-(4-methyl-1,3-thiazol-2-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-methyl-1,3-thiazol-2-yl)butanoic acid",NA,"CC1=CSC(=N1)CCC(C(=O)O)N","XCHJHYALMUPRGY-UHFFFAOYSA-N",363603,NA,"PDBC15348","628598","Present",NA,NA
+"15349","2-Amino-4-(4-methylphenyl)-2,5-dihydropyrano[3,2-c]chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(p-tolyl)-2,5-dihydropyrano[5,6-c]chromene-3-carbonitrile",NA,"CC1=CC=C(C=C1)C2=C(C(OC3=C2COC4=CC=CC=C43)N)C#N","ZIIDTTNNPHUGIN-UHFFFAOYSA-N",399088,NA,"PDBC15349","709504","Present",NA,NA
+"15350","2-Amino-4-(4-nitrophenyl)-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-nitrophenyl)-6-[4-[[7-(trifluoromethyl)-4-quinolyl]amino]phenyl]pyridine-3-carbonitrile",NA,"C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F","IKDDSIVWLPUDKP-UHFFFAOYSA-N",396056,NA,"PDBC15350","701383","Present",NA,NA
+"15351","2-Amino-4-(4-phenyl-1,3-thiazol-2-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-phenyl-1,3-thiazol-2-yl)butanoic acid",NA,"C1=CC=C(C=C1)C2=CSC(=N2)CCC(C(=O)O)N","ONQUEBIEVDJXIU-UHFFFAOYSA-N",363604,NA,"PDBC15351","628599","Present",NA,NA
+"15352","2-Amino-4-(5-methylfuran-2-yl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(5-methylfuran-2-yl)-6-morpholin-4-ylpyridine-3,5-dicarbonitrile",NA,"CC1=CC=C(O1)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N","XUWOAKPBXLKUPS-UHFFFAOYSA-N",24205478,NA,"PDBC15352","736016","Present",NA,NA
+"15353","2-Amino-4-(5-phenyl-1,3-thiazol-2-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(5-phenyl-1,3-thiazol-2-yl)butanoic acid",NA,"C1=CC=C(C=C1)C2=CN=C(S2)CCC(C(=O)O)N","GGPSBRIYYBJXML-UHFFFAOYSA-N",363605,NA,"PDBC15353","628600","Present",NA,NA
+"15354","2-Amino-4-(6-bromo-2-chloroquinolin-3-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(6-bromo-2-chloroquinolin-3-yl)-6-(4-methoxyphenyl)pyridine-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)C#N)N","HOTRFOMABOMFGM-UHFFFAOYSA-N",402210,NA,"PDBC15354","716101","Present",NA,NA
+"15355","2-Amino-4-(6-chloro-2-oxochromen-4-yl)-4H-benzo[h]chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-(6-chloro-2-oxo-2H-chromen-4-yl)-4H-benzo[h]ch...",NA,"C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC(=O)OC5=C4C=C(C=C5)Cl)C#N)N","JDXVDBZXQFSPTP-UHFFFAOYSA-N",155810447,NA,"PDBC15355","794655","Present",NA,NA
+"15356","2-Amino-4-(7-methyl-2-oxochromen-4-yl)-4H-benzo[g]chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-(7-methyl-2-oxo-2H-chromen-4-yl)-4H-benzo[g]ch...",NA,"CC1=CC2=C(C=C1)C(=CC(=O)O2)C3C4=CC5=CC=CC=C5C=C4OC(=C3C#N)N","SKEUMCXFAQOTRG-UHFFFAOYSA-N",155814836,NA,"PDBC15356","794658","Present",NA,NA
+"15357","2-Amino-4-(butylsulfinyl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D,L-Buthionine Sulfoxide",NA,"CCCCS(=O)CCC(C(=O)O)N","KOGSTWSVCBVYHO-UHFFFAOYSA-N",353382,NA,"PDBC15357","601361","Present",NA,NA
+"15358","2-Amino-4-(difluoromethylsulfanyl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-difluoromethylhomocysteine",NA,"C(CSC(F)F)C(C(=O)O)N","YHBNXKYHZMAFED-UHFFFAOYSA-N",360816,NA,"PDBC15358","623233","Present",NA,NA
+"15359","2-Amino-4-(p-chlorophenoxy)-6-chloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_004711",NA,"C1=CC(=CC=C1OC2=CC(=NC(=N2)N)Cl)Cl","JDTQJRVXTNCSJN-UHFFFAOYSA-N",389506,NA,"PDBC15359","685792","Present",NA,NA
+"15360","2-Amino-4-(tetrazolo[1,5-a]quinolin-4-yl)-4H-benzo[h]chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-(tetrazolo[1,5-a]quinolin-4-yl)-4~{H}-benzo[h]...",NA,"C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC5=CC=CC=C5N6C4=NN=N6)C#N)N","HBSPNNFSDCBCEH-UHFFFAOYSA-N",155810857,NA,"PDBC15360","802661","Present",NA,NA
+"15361","2-Amino-4-[(2-cyclohexa-2,4-dienyl-ethyl)-hydroxy-phosphinoyl]-butyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-[(2-cyclohexa-2,4-dienyl-ethyl)-hydroxy-phosphinoyl]-butyric acid",NA,"C1C=CC=CC1CCP(=O)(CCC(C(=O)O)N)O","SUZILEYTDIBPQA-UHFFFAOYSA-N",383692,NA,"PDBC15361","672112","Present",NA,NA
+"15362","2-Amino-4-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-[(2E)-2-[(2,4-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile",NA,"C1CCN(C1)C2=NC(=NC(=C2C#N)NN=CC3=C(C=C(C=C3)Cl)Cl)N","DSHLCTPNESCPOQ-ZVBGSRNCSA-N",24204824,NA,"PDBC15362","733011","Present",NA,NA
+"15363","2-Amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile",NA,"C1COCCN1C2=NC(=NC(=C2C#N)NN=CC3=C(C=CC=C3Cl)Cl)N","WDOOOBADBIRXCV-ZVBGSRNCSA-N",24204821,NA,"PDBC15363","733008","Present",NA,NA
+"15364","2-Amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile",NA,"C1CCN(C1)C2=NC(=NC(=C2C#N)NN=CC3=C(C=CC=C3Cl)Cl)N","VHSIJSGWZJPKSG-ZVBGSRNCSA-N",11509076,NA,"PDBC15364","733012","Present",NA,NA
+"15365","2-Amino-4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-pyrrolidin-1-ylpyrimidine-5-carbonitrile",NA,"COC1=CC=C(C=C1)C=NNC2=C(C(=NC(=N2)N)N3CCCC3)C#N","UQLKRDMMOSQNPU-RGVLZGJSSA-N",24204823,NA,"PDBC15365","733010","Present",NA,NA
+"15366","2-Amino-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile",NA,"C1COCCN1C2=NC(=NC(=C2C#N)NN=CC3=CC=C(C=C3)Cl)N","WWOPNKDKEOEILC-JMIUGGIZSA-N",24204817,NA,"PDBC15366","733004","Present",NA,NA
+"15367","2-Amino-4-[(E)-2-(4-methoxyphenyl)vinyl]-5-oxo-5,7,8-tetra hydro-4H-chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-[(E)-2-(4-methoxyphenyl)vinyl]-5-oxo-5,6,7,8-t...",NA,"COC1=CC=C(C=C1)C=CC2C(=C(OC3=C2C(=O)CCC3)N)C#N","JOLTWOARDZXMCV-JXMROGBWSA-N",24206054,NA,"PDBC15367","737793","Present",NA,NA
+"15368","2-Amino-4-[2-quinolinyl]-1,3-tricarbonitrile-1,3-butadiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-[2-quinolinyl]-1,1,3-tricarbonitrile-1,3-butad...",NA,"C1=CC=C2C(=C1)C=CC(=N2)C=C(C#N)C(=C(C#N)C#N)N","RCTRMVXQLRNRSN-KPKJPENVSA-N",5468739,NA,"PDBC15368","675752","Present",NA,NA
+"15369","2-Amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde",NA,"C1CC(C1)(CNC2=NC(=NC=C2C=O)N)CO","PGIGEODLWGCJKC-UHFFFAOYSA-N",385204,NA,"PDBC15369","676317","Present",NA,NA
+"15370","2-Amino-4-[[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-5-nitro-1H-pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-{[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]amino}-5-nitropyrimidin-4(1H)-one",NA,"C1=C(C(C(C1NC2=C(C(=O)NC(=N2)N)[N+](=O)[O-])O)O)CO","SNHDAISAMSUVHR-UHFFFAOYSA-N",135444467,NA,"PDBC15370","644939","Present",NA,NA
+"15371","2-Amino-4-bromo-6-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-bromo-6-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one",NA,"CC1CC2=C(NC1=O)N=C(N=C2Br)N","PFRKXOQJAPYGII-UHFFFAOYSA-N",393785,NA,"PDBC15371","696472","Present",NA,NA
+"15372","2-Amino-4-butylsulfonylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Buthioninesulfoxide",NA,"CCCCS(=O)(=O)CCC(C(=O)O)N","CBZDNNMUUYMNKV-UHFFFAOYSA-N",353381,NA,"PDBC15372","601360","Present",NA,NA
+"15373","2-Amino-4-chloro-6-(((1-(hydroxymethyl)-3,3-dimethoxycyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-chloro-6-[[1-(hydroxymethyl)-3,3-dimethoxycyclobutyl]methylamino]pyrimidine-5-carbaldehyde",NA,"COC1(CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO)OC","GIAPDRJZWMCXDY-UHFFFAOYSA-N",385256,NA,"PDBC15373","676367","Present",NA,NA
+"15374","2-Amino-4-chloro-6-(((1-(hydroxymethyl)-3-isopropylcyclobutyl)methyl)amino)-5-pyrimidinecarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Pyrimidinecarboxaldehyde, 2-amino-4-chloro- 6-[[[1-(hy...",NA,"CC(C)C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO","GITWOURAALWBOL-UHFFFAOYSA-N",385257,NA,"PDBC15374","676368","Present",NA,NA
+"15375","2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde",NA,"CC(C)(CNC1=C(C(=NC(=N1)N)Cl)C=O)CO","NARYPTCODVBNJC-UHFFFAOYSA-N",385210,NA,"PDBC15375","676323","Present",NA,NA
+"15376","2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-chloro-6-((3-hydroxy-2,2-dimethylpropyl)amino)-5-pyrimidinecarbaldehyde oxime",NA,"CC(C)(CNC1=C(C(=NC(=N1)N)Cl)C=NO)CO","FBGUPTDFHQQDPB-LZWSPWQCSA-N",9571515,NA,"PDBC15376","676324","Present",NA,NA
+"15377","2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidine-5-carbaldehyde",NA,"C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO","VSTJAAPHHYLWBD-UHFFFAOYSA-N",385255,NA,"PDBC15377","676366","Present",NA,NA
+"15378","2-Amino-4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5,6-dihydropyrido[3,4-d]pyrimidin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-chloro-7-[(2,4-dimethoxyphenyl)methyl]-5,6-dihydropyrido[3,4-d]pyrimidin-8-one",NA,"COC1=CC(=C(C=C1)CN2CCC3=C(C2=O)N=C(N=C3Cl)N)OC","QMBRWDAWMADZMK-UHFFFAOYSA-N",54613055,NA,"PDBC15378","750003","Present",NA,NA
+"15379","2-Amino-4-cyclopropyl-6-(4-fluorophenyl)cyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-cyclopropyl-6-(4-fluorophenyl)cyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,"C1CC1C2=CC(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)F","QZVDUYUWAGKGJZ-UHFFFAOYSA-N",400138,NA,"PDBC15379","711632","Present",NA,NA
+"15380","2-Amino-4-ethoxybenzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JL9RLY05NF",NA,"CCOC1=C2C(=CC=C1)SC(=N2)N","JHGMOMZRSFGBFV-UHFFFAOYSA-N",27508,NA,"PDBC15380","623738","Present",NA,NA
+"15381","2-Amino-4-hydroxy-6-(isobutylamino)-5-pyrimidinylformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-hydroxy-6-(isobutylamino)-5-pyrimidinylformamide",NA,"CC(C)CNC1=C(C(=O)NC(=N1)N)NC=O","UZLLGXDHJYOFTP-UHFFFAOYSA-N",135403624,NA,"PDBC15381","40663","Present",NA,NA
+"15382","2-Amino-4-hydroxy-6-pyrophosphoryl-methylpteridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydro pteridine ...",NA,"C1C(=NC2=C(N1)N=C(NC2=O)N)COP(=O)(O)OP(=O)(O)O","FCQGJGLSOWZZON-UHFFFAOYSA-N",135398612,NA,"PDBC15382","619900","Present",NA,NA
+"15383","2-Amino-4-imino-6-(4-methyl-2-oxo-chromen-3-yl)-1H-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-imino-6-(4-methyl-2-oxo-chromen-3-yl)-1H-pyridine-3,5-dicarbonitrile",NA,"CC1=C(C(=O)OC2=CC=CC=C12)C3=NC(=C(C(=C3C#N)N)C#N)N","ZRGSDHVMPKJNSF-UHFFFAOYSA-N",389422,NA,"PDBC15383","685504","Present",NA,NA
+"15384","2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-methyl-6,7-dihydro-5H-thiopyrano[2,3-d]pyrimidin-7-ol",NA,"CC1=C2CCC(SC2=NC(=N1)N)O","PIHUGIWDQMUROZ-UHFFFAOYSA-N",257143,NA,"PDBC15384","85068","Present",NA,NA
+"15385","2-Amino-4-methyl-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-methyl-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile",NA,"CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(CO2)O)O)O)C#N","NKPMWJMPNXTMQG-UHFFFAOYSA-N",3005163,NA,"PDBC15385","678081","Present",NA,NA
+"15386","2-Amino-4-methyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678064///NSC678068",NA,"CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(C(O2)CO)O)O)O)C#N","RKSOEBDZHXLQPS-UHFFFAOYSA-N",3005862,NA,"PDBC15386","678064///678068","Present",NA,NA
+"15387","2-Amino-4-methyl-thiazole-5-carboxylic acid (1H-[1,2,4]triazol-3-yl)-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-methyl-N-(1H-1,2,4-triazol-5-yl)-1,3-thiazole-5-carboxamide",NA,"CC1=C(SC(=N1)N)C(=O)NC2=NC=NN2","UTGZHIYBWKIGTC-UHFFFAOYSA-N",376633,NA,"PDBC15387","657664","Present",NA,NA
+"15388","2-Amino-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3,5-dicarbonitrile",NA,"CC1=CC=C(C=C1)N2C(=C(C(=C(C2=O)C#N)SC)C#N)N","IYMRICVAIBMPNR-UHFFFAOYSA-N",392159,NA,"PDBC15388","692039","Present",NA,NA
+"15389","2-Amino-4-phenyl-6-thiophen-2-ylbenzene-1,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-5-(thiophen-2-yl)biphenyl-2,4-dicarbonitrile",NA,"C1=CC=C(C=C1)C2=CC(=C(C(=C2C#N)N)C#N)C3=CC=CS3","NSOVAGFDTXJIAP-UHFFFAOYSA-N",360778,NA,"PDBC15389","623133","Present",NA,NA
+"15390","2-Amino-4-phenyl-6-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678078///NSC678080",NA,"C1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N)O)O)O","YCVBNENTOZMDIA-UHFFFAOYSA-N",3005868,NA,"PDBC15390","678078///678080","Present",NA,NA
+"15391","2-Amino-4-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678061///NSC678071",NA,"C1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(C(O3)CO)O)O)O)C#N","LGFWJYIWHQTRDQ-UHFFFAOYSA-N",3005860,NA,"PDBC15391","678061///678071","Present",NA,NA
+"15392","2-Amino-4-phenylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-phenylphenol",NA,"C1=CC=C(C=C1)C2=CC(=C(C=C2)O)N","IGIDZGNPFWGICD-UHFFFAOYSA-N",14562,NA,"PDBC15392","7950","Present",NA,NA
+"15393","2-Amino-4-phosphonobutyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanoic acid, 2-amino-4-phosphono- (9CI)",NA,"C(CP(=O)(O)O)C(C(=O)O)N","DDOQBQRIEWHWBT-UHFFFAOYSA-N",2207,NA,"PDBC15393","30079","Present",NA,NA
+"15394","2-Amino-4-{2-[(2-cyclohexa-2,4-dienyl-ethyl)-hydroxy-phosphinoyl]-ethoxy}-butyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-{2-[(2-cyclohexa-2,4-dienyl-ethyl)-hydroxy-phosphinoyl]-ethoxy}-butyric acid",NA,"C1C=CC=CC1CCP(=O)(CCOCCC(C(=O)O)N)O","XLTOGZRGMIGCDJ-UHFFFAOYSA-N",383693,NA,"PDBC15394","672113","Present",NA,NA
+"15395","2-Amino-4H-thieno[2,3-c]chromene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BC4154941",NA,"C1C2=C(C3=CC=CC=C3O1)C(=C(S2)N)C#N","ONCNPQUIOLSGMJ-UHFFFAOYSA-N",399091,NA,"PDBC15395","709507","Present",NA,NA
+"15396","2-Amino-5,6-bis(4-methoxyphenyl)-N,N-dipropyl-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5,6-bis(4-methoxyphenyl)-N,N-dipropyl-4-pyrimidinecarboxamide",NA,"CCCN(CCC)C(=O)C1=NC(=NC(=C1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)N","YJVDFIZNJCCLRA-UHFFFAOYSA-N",364307,NA,"PDBC15396","630325","Present",NA,NA
+"15397","2-Amino-5,8-dihydroxy-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5,8-dihydroxy-1,4-naphthoquinone",NA,"C1=CC(=C2C(=C1O)C(=O)C=C(C2=O)N)O","HBGVBAQAWXSWQF-UHFFFAOYSA-N",377209,NA,"PDBC15397","658441","Present",NA,NA
+"15398","2-Amino-5-(1-benzofuran-2-yl)furan-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-(1-benzofuran-2-yl)furan-3-carbonitrile",NA,"C1=CC=C2C(=C1)C=C(O2)C3=CC(=C(O3)N)C#N","KBZFHHZINUPWSR-UHFFFAOYSA-N",45028480,NA,"PDBC15398","742925","Present",NA,NA
+"15399","2-Amino-5-(2-furyl)-1-(4-methoxyphenyl)pyrrole-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-(2-furyl)-1-(4-methoxyphenyl)pyrrole-3,4-dicarbonitrile",NA,"COC1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC=CO3","CEUVGDWKMVKAIM-UHFFFAOYSA-N",387743,NA,"PDBC15399","681772","Present",NA,NA
+"15400","2-Amino-5-(3-anilinopropyl)-6-methyl-4-pyrimidinethiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-(3-anilinopropyl)-6-methyl-4-pyrimidinethiol",NA,"CC1=C(C(=S)N=C(N1)N)CCCNC2=CC=CC=C2","OSFBHNAFTQFYPO-UHFFFAOYSA-N",3246306,NA,"PDBC15400","85069","Present",NA,NA
+"15401","2-Amino-5-(3-hydroxyanilino)pentanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-(3-hydroxyanilino)pentanoic acid;hydrochloride",NA,"C1=CC(=CC(=C1)O)NCCCC(C(=O)O)N.Cl","PPQHQXOGGYBPSX-UHFFFAOYSA-N",54607611,NA,"PDBC15401","337781","Present",NA,NA
+"15402","2-Amino-5-(3-nitrophenyl)furan-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-031377",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=C(O2)N)C#N)C#N","MHJXVNVDXPLLRH-UHFFFAOYSA-N",387796,NA,"PDBC15402","681868","Present",NA,NA
+"15403","2-Amino-5-(4-chlorophenyl)-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-(4-chlorophenyl)-7-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-4-ol",NA,"C1=CC=C(C=C1)C2=CC(C3=C(N2)N=C(NC3=O)N)C4=CC=C(C=C4)Cl","LMCSVSQTNVAJGH-UHFFFAOYSA-N",135420442,NA,"PDBC15403","685871","Present",NA,NA
+"15404","2-Amino-5-(4-nitrophenyl)furan-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-(4-nitrophenyl)furan-3,4-dicarbonitrile",NA,"C1=CC(=CC=C1C2=C(C(=C(O2)N)C#N)C#N)[N+](=O)[O-]","JYPSWQPQGWVJEZ-UHFFFAOYSA-N",387797,NA,"PDBC15404","681869","Present",NA,NA
+"15405","2-Amino-5-(benzo[d]oxazol-2-yl)benzenethiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-(benzo[d]oxazol-2-yl)benzenethiol",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)N)S","HJWAWQZIDDVLAS-UHFFFAOYSA-N",24204325,NA,"PDBC15405","731367","Present",NA,NA
+"15406","2-Amino-5-(benzylamino)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~5~-Benzylornithine",NA,"C1=CC=C(C=C1)CNCCCC(C(=O)O)N","VAWTXRIBGODTRO-UHFFFAOYSA-N",369326,NA,"PDBC15406","641080","Present",NA,NA
+"15407","2-Amino-5-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-5-oxo-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[(2,2-dimethyl-1,3-benzodioxol-5-yl)amino]-5-oxo-pentanoic acid",NA,"CC1(OC2=C(O1)C=C(C=C2)NC(=O)CCC(C(=O)O)N)C","CRRZZSCLHZOYMX-UHFFFAOYSA-N",382142,NA,"PDBC15407","669586","Present",NA,NA
+"15408","2-Amino-5-[(2-hydroxyphenyl)methylamino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~5~-(2-Hydroxybenzyl)ornithine",NA,"C1=CC=C(C(=C1)CNCCCC(C(=O)O)N)O","DYUZRCIJNHHNFB-UHFFFAOYSA-N",369327,NA,"PDBC15408","641081","Present",NA,NA
+"15409","2-Amino-5-[(5-amino-3,4-dicyano-1-naphthalen-1-ylpyrrol-2-yl)disulfanyl]-1-naphthalen-1-ylpyrrole-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[(5-amino-3,4-dicyano-1-naphthalen-1-ylpyrrol-2-yl)disulfanyl]-1-naphthalen-1-ylpyrrole-3,4-dicarbonitrile",NA,"C1=CC=C2C(=C1)C=CC=C2N3C(=C(C(=C3SSC4=C(C(=C(N4C5=CC=CC6=CC=CC=C65)N)C#N)C#N)C#N)C#N)N","UPNIFNIOQOKMKL-UHFFFAOYSA-N",396952,NA,"PDBC15409","704172","Present",NA,NA
+"15410","2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-[(2-oxo-1,3-dihydroindol-3-yl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[[1-(carboxymethylamino)-1-oxo-3-[(2-oxo-1,3-dihydroindol-3-yl)methylsulfanyl]propan-2-yl]amino]-5-oxopentanoic acid",NA,"C1=CC=C2C(=C1)C(C(=O)N2)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","AZDHDZUSCHPULG-UHFFFAOYSA-N",397066,NA,"PDBC15410","704373","Present",NA,NA
+"15411","2-Amino-5-[[1-(carboxymethylamino)-3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[[1-(carboxymethylamino)-3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",NA,"C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)Cl","AJDQQFLYKZABLT-UHFFFAOYSA-N",392749,NA,"PDBC15411","693567","Present",NA,NA
+"15412","2-Amino-5-[[1-(carboxymethylamino)-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[[1-(carboxymethylamino)-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid",NA,"C(CC(=O)NC(CCC(=O)NO)C(=O)NCC(=O)O)C(C(=O)O)N","COLWINNLGMAANX-UHFFFAOYSA-N",390760,NA,"PDBC15412","688518","Present",NA,NA
+"15413","2-Amino-5-[[1-(carboxymethylamino)-5-[hydroxy(methyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[[1-(carboxymethylamino)-5-[hydroxy(methyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid",NA,"CN(C(=O)CCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","DWUBDGXLWNVHIF-UHFFFAOYSA-N",390758,NA,"PDBC15413","688516","Present",NA,NA
+"15414","2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-(hydroxyamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid",NA,"CCOC(=O)CNC(=O)C(CCC(=O)NO)NC(=O)CCC(C(=O)O)N","KYGNJBZEMHUOCT-UHFFFAOYSA-N",390761,NA,"PDBC15414","688519","Present",NA,NA
+"15415","2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-[hydroxy(methyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[[1-[(2-ethoxy-2-oxoethyl)amino]-5-[hydroxy(methyl)amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid",NA,"CCOC(=O)CNC(=O)C(CCC(=O)N(C)O)NC(=O)CCC(C(=O)O)N","DQOPZUQUGTUCSS-UHFFFAOYSA-N",390759,NA,"PDBC15415","688517","Present",NA,NA
+"15416","2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-",NA,"CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O","AAPYRJHRMMWSDQ-UHFFFAOYSA-N",45027981,NA,"PDBC15416","740476","Present",NA,NA
+"15417","2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[[3-[2-[[5-(4-amino-2-oxopyrimidin-1-yl)-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-[4-chlorobutyl(methyl)amino]phosphoryl]oxyethylsulfonyl]-1-[[carboxy(phenyl)methyl]amino]-1-oxopropan-2-yl]",NA,"CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)(F)F)O","WLGRBIGJNQQUJY-UHFFFAOYSA-N",45027980,NA,"PDBC15417","740475","Present",NA,NA
+"15418","2-Amino-5-[[5-amino-3,4-dicyano-1-(4-fluorophenyl)pyrrol-2-yl]disulfanyl]-1-(4-fluorophenyl)pyrrole-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-[[5-amino-3,4-dicyano-1-(4-fluorophenyl)pyrrol-2-yl]disulfanyl]-1-(4-fluorophenyl)pyrrole-3,4-dicarbonitrile",NA,"C1=CC(=CC=C1N2C(=C(C(=C2SSC3=C(C(=C(N3C4=CC=C(C=C4)F)N)C#N)C#N)C#N)C#N)N)F","YQJSZUDAVNUNRT-UHFFFAOYSA-N",396951,NA,"PDBC15418","704171","Present",NA,NA
+"15419","2-Amino-5-bromo-6-(3-nitrophenyl)-4(3H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-bromo-6-(3-nitrophenyl)-4(3H)-pyrimidinone",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)NC(=N2)N)Br","FTRWXOPDEGKEOI-UHFFFAOYSA-N",135415735,NA,"PDBC15419","604979","Present",NA,NA
+"15420","2-Amino-5-cyano-6-hydroxy-N-(4-methylphenyl)-4-(methylthio)nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-cyano-6-hydroxy-N-(4-methylphenyl)-4-(methylthio)nicotinamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=C(NC(=O)C(=C2SC)C#N)N","VCAJIHXGWLCMKQ-UHFFFAOYSA-N",392146,NA,"PDBC15420","692026","Present",NA,NA
+"15421","2-Amino-5-ethyl-6-propyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-ethyl-6-propyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,"CCCC1=C(C(=NC(=N1)N)C(=O)NC2=CC=CC(=C2)C(F)(F)F)CC","JLWLAIIVGQXIAN-UHFFFAOYSA-N",364952,NA,"PDBC15421","631838","Present",NA,NA
+"15422","2-Amino-5-iodopyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-5-iodopyridine",NA,"C1=CC(=NC=C1I)N","IVILGUFRMDBUEQ-UHFFFAOYSA-N",88579,NA,"PDBC15422","31592","Present",NA,NA
+"15423","2-Amino-5-methylbenzenethiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenethiol, 2-amino-5-methyl-",NA,"CC1=CC(=C(C=C1)N)S","VUMZNLOQJGKGNE-UHFFFAOYSA-N",323260,NA,"PDBC15423","282150","Present",NA,NA
+"15424","2-Amino-5-nitro-6-[[2-(phosphonomethoxy)ethyl]amino]pyrimidin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"({2-[(2-Amino-6-hydroxy-5-nitropyrimidin-4-yl)amino]ethoxy}methyl)phosphonic acid",NA,"C(COCP(=O)(O)O)NC1=C(C(=O)NC(=N1)N)[N+](=O)[O-]","UWRDMNZJYKGWRP-UHFFFAOYSA-N",135409036,NA,"PDBC15424","655357","Present",NA,NA
+"15425","2-Amino-5-oxo-5-(prop-2-ynylamino)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-oxo-5-(prop-2-ynylamino)pentanoic acid",NA,"C#CCNC(=O)CCC(C(=O)O)N","BCUANUNQYHYHPQ-UHFFFAOYSA-N",360663,NA,"PDBC15425","622981","Present",NA,NA
+"15426","2-Amino-5-phosphono-4-pentenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL527070",NA,"C(C=CP(=O)(O)O)C(C(=O)O)N","QHTABWCNPABQCM-HNQUOIGGSA-N",5882143,NA,"PDBC15426","672108","Present",NA,NA
+"15427","2-Amino-6,7-dimethoxy-N-phenylquinoline-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766578",NA,"COC1=CC2=CC(=C(N=C2C=C1OC)N)C(=O)NC3=CC=CC=C3","DXTQMJCEDQUJSJ-UHFFFAOYSA-N",615754,NA,"PDBC15427","766578","Present",NA,NA
+"15428","2-Amino-6,7-dimethylpyrido[2,3-d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6,7-dimethylpyrido[2,3-d]pyrimidin-4-ol",NA,"CC1=CC2=C(N=C1C)N=C(NC2=O)N","VLGXRMWBVZVJDP-UHFFFAOYSA-N",135403628,NA,"PDBC15428","50570","Present",NA,NA
+"15429","2-Amino-6-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(((1-(hydroxymethyl)-3-(2-phenylethyl)cyclobutyl)methyl)amino)-4-pyrimidinol",NA,"C1C(CC1(CNC2=CC(=O)NC(=N2)N)CO)CCC3=CC=CC=C3","GWXLKPXRVUNMDN-UHFFFAOYSA-N",135489795,NA,"PDBC15429","676381","Present",NA,NA
+"15430","2-Amino-6-(((1-(hydroxymethyl)cyclobutyl)methyl)amino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(((1-(hydroxymethyl)cyclobutyl)methyl)amino)-4-pyrimidinol",NA,"C1CC(C1)(CNC2=CC(=O)NC(=N2)N)CO","QDGWGQSZYDAIBX-UHFFFAOYSA-N",135460856,NA,"PDBC15430","676380","Present",NA,NA
+"15431","2-Amino-6-(((1-(hydroxymethyl)cyclopropyl)methyl)amino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(((1-(hydroxymethyl)cyclopropyl)methyl)amino)-4-pyrimidinol",NA,"C1CC1(CNC2=CC(=O)NC(=N2)N)CO","QTIZFSVGPXWQLR-UHFFFAOYSA-N",135489794,NA,"PDBC15431","676379","Present",NA,NA
+"15432","2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-((2-chlorobenzyl)thio)-4-pyrimidinecarboxylic acid",NA,"C1=CC=C(C(=C1)CSC2=NC(=NC(=C2)C(=O)O)N)Cl","CKEXOMJXKGGKGZ-UHFFFAOYSA-N",241840,NA,"PDBC15432","49713","Present",NA,NA
+"15433","2-Amino-6-((2-hydroxyethyl)amino)-5-nitroso-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-((2-hydroxyethyl)amino)-5-nitroso-4-pyrimidinol",NA,"C(CO)NC1=C(C(=O)NC(=N1)N)N=O","OBVKXGQBGZSZLF-UHFFFAOYSA-N",135444420,NA,"PDBC15433","637526","Present",NA,NA
+"15434","2-Amino-6-((3-hydroxy-2,2-dimethylpropyl)amino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-((3-hydroxy-2,2-dimethylpropyl)amino)-4-pyrimidinol",NA,"CC(C)(CNC1=CC(=O)NC(=N1)N)CO","BJROCNCHIMQGNX-UHFFFAOYSA-N",135406826,NA,"PDBC15434","676378","Present",NA,NA
+"15435","2-Amino-6-((3-hydroxypropyl)amino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-((3-hydroxypropyl)amino)-4-pyrimidinol",NA,"C1=C(N=C(NC1=O)N)NCCCO","MBASEOUSQCGMNP-UHFFFAOYSA-N",135489793,NA,"PDBC15435","676377","Present",NA,NA
+"15436","2-Amino-6-((5-(hydroxy(oxido)amino)-6-(methylamino)-4-pyrimidinyl)thio)-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-((5-(hydroxy(oxido)amino)-6-(methylamino)-4-pyrimidinyl)thio)-9H-purine",NA,"CNC1=C(C(=NC=N1)SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]","URIYRDCSAYRGKI-UHFFFAOYSA-N",3246138,NA,"PDBC15436","38732","Present",NA,NA
+"15437","2-Amino-6-(1-naphthylamino)-3,4,5-pyridinetricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-132111",NA,"C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=C(C(=N3)N)C#N)C#N)C#N","GZXYOLIIVIQMEV-UHFFFAOYSA-N",379208,NA,"PDBC15437","663619","Present",NA,NA
+"15438","2-Amino-6-(1H-benzimidazol-2-yl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(1h-benzimidazol-2-yl)-4-[4-(methylsulfanyl)phenyl]pyridine-3-carbonitrile",NA,"CSC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=NC4=CC=CC=C4N3","ZONPADSTEAHFJM-UHFFFAOYSA-N",402407,NA,"PDBC15438","716338","Present",NA,NA
+"15439","2-Amino-6-(2-(2-fluorophenyl)hydrazino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(2-(2-fluorophenyl)hydrazino)-4-pyrimidinol",NA,"C1=CC=C(C(=C1)NNC2=CC(=O)NC(=N2)N)F","VSSRDQIVVWLEBJ-UHFFFAOYSA-N",135489799,NA,"PDBC15439","677263","Present",NA,NA
+"15440","2-Amino-6-(2-(3,4-dichlorophenyl)hydrazino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(2-(3,4-dichlorophenyl)hydrazino)-4-pyrimidinol",NA,"C1=CC(=C(C=C1NNC2=CC(=O)NC(=N2)N)Cl)Cl","UCBUBWJJNAJRIL-UHFFFAOYSA-N",135489800,NA,"PDBC15440","677264","Present",NA,NA
+"15441","2-Amino-6-(2-(3-fluorophenyl)hydrazino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(2-(3-fluorophenyl)hydrazino)-4-pyrimidinol",NA,"C1=CC(=CC(=C1)F)NNC2=CC(=O)NC(=N2)N","IHWGHAIDLSUDOF-UHFFFAOYSA-N",135489798,NA,"PDBC15441","677262","Present",NA,NA
+"15442","2-Amino-6-(2-amino-4-hydroxy-quinazolin-6-yl)sulfanyl-quinazolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(2-amino-4-hydroxy-quinazolin-6-yl)sulfanyl-quinazolin-4-ol",NA,"C1=CC2=C(C=C1SC3=CC4=C(C=C3)N=C(NC4=O)N)C(=O)NC(=N2)N","IPDBEEYMRWYGSG-UHFFFAOYSA-N",135489905,NA,"PDBC15442","695933","Present",NA,NA
+"15443","2-Amino-6-(2-aminophenyl)sulfanyl-4-phenylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(2-aminophenylthio)-4-phenyl-3,5-pyridinedicarbonitrile",NA,"C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC3=CC=CC=C3N)N)C#N","GHTCFJKWXZRLDK-UHFFFAOYSA-N",395919,NA,"PDBC15443","701014","Present",NA,NA
+"15444","2-Amino-6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(3,4-dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile",NA,"CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC(=C(C=C3)OC)OC","BSZLZWCFWCRNPY-UHFFFAOYSA-N",4659623,NA,"PDBC15444","735025","Present",NA,NA
+"15445","2-Amino-6-(3-(4-morpholinyl)propyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(3-(4-morpholinyl)propyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-ol",NA,"C1COCCN1CCCN2CC3=C(NC2)N=C(NC3=O)N","MSLRFMDLSHJTEO-UHFFFAOYSA-N",135403643,NA,"PDBC15445","92601","Present",NA,NA
+"15446","2-Amino-6-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methyl-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(3-chlorophenyl)-N-(4-chlorophenyl)-5-methyl-4-pyrimidinecarboxamide",NA,"CC1=C(N=C(N=C1C(=O)NC2=CC=C(C=C2)Cl)N)C3=CC(=CC=C3)Cl","NBLNWBPWBBLZIK-UHFFFAOYSA-N",364926,NA,"PDBC15446","631812","Present",NA,NA
+"15447","2-Amino-6-(4-((1H-benzimidazol-2-ylmethyl)amino)phenyl)-4-(2-furyl)nicotinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(4-((1H-benzimidazol-2-ylmethyl)amino)phenyl)-4-(2-furyl)nicotinonitrile",NA,"C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C4=NC(=C(C(=C4)C5=CC=CO5)C#N)N","IRJSZNZVJABASN-UHFFFAOYSA-N",374044,NA,"PDBC15447","651240","Present",NA,NA
+"15448","2-Amino-6-(4-bromophenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(4-bromophenyl)-4-(1-methylpyrrol-2-yl)pyridine-3-carbonitrile",NA,"CN1C=CC=C1C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)Br","DSJGADDAIYLJDD-UHFFFAOYSA-N",3399462,NA,"PDBC15448","735024","Present",NA,NA
+"15449","2-Amino-6-(4-chloro-3,5-difluoroanilino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(4-chloro-3,5-difluoroanilino)-4-pyrimidinol",NA,"C1=C(C=C(C(=C1F)Cl)F)NC2=CC(=O)NC(=N2)N","RMBYHZINIOGGFX-UHFFFAOYSA-N",135489861,NA,"PDBC15449","685831","Present",NA,NA
+"15450","2-Amino-6-(benzylamino)-4-(2,4-dichlorophenyl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(benzylamino)-4-(2,4-dichlorophenyl)pyridine-3,5-dicarbonitrile",NA,"C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)N)C#N)C3=C(C=C(C=C3)Cl)Cl)C#N","NTSDXNRKOZICHM-UHFFFAOYSA-N",24205131,NA,"PDBC15450","734395","Present",NA,NA
+"15451","2-Amino-6-(benzylamino)-4-(2-chlorophenyl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(benzylamino)-4-(2-chlorophenyl)pyridine-3,5-dicarbonitrile",NA,"C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3Cl)C#N","RAQSSEOQYWZRJK-UHFFFAOYSA-N",24205132,NA,"PDBC15451","734396","Present",NA,NA
+"15452","2-Amino-6-(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(benzylamino)-4-(4-chlorophenyl)pyridine-3,5-dicarbonitrile",NA,"C1=CC=C(C=C1)CNC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)Cl)C#N","OZLVNJINKWNPKR-UHFFFAOYSA-N",24205128,NA,"PDBC15452","734392","Present",NA,NA
+"15453","2-Amino-6-(benzylamino)hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~6~-Benzyllysine",NA,"C1=CC=C(C=C1)CNCCCCC(C(=O)O)N","QHFWIZMMKPGTRI-UHFFFAOYSA-N",369328,NA,"PDBC15453","641082","Present",NA,NA
+"15454","2-Amino-6-(ethylthio)-4-(3,5-dic arbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-(ethylthio)-4-(3,4-dimethoxyphenyl)pyridin-3,5...",NA,"CCSC1=C(C(=C(C(=N1)N)C#N)C2=CC(=C(C=C2)OC)OC)C#N","HTMQYWYCAIPYHS-UHFFFAOYSA-N",24203991,NA,"PDBC15454","730312","Present",NA,NA
+"15455","2-Amino-6-[(2-hydroxyphenyl)methylamino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~6~-(2-Hydroxybenzyl)lysine",NA,"C1=CC=C(C(=C1)CNCCCCC(C(=O)O)N)O","UMXGVURALLTGGD-UHFFFAOYSA-N",369329,NA,"PDBC15455","641083","Present",NA,NA
+"15456","2-Amino-6-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]hexanoic acid",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NCCCCC(C(=O)O)N","SKOVXVMQLQFZFR-UHFFFAOYSA-N",375076,NA,"PDBC15456","653960","Present",NA,NA
+"15457","2-Amino-6-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-4-(4-methoxynaphthalen-1-yl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-[4-[(7-chloro-4-quinolyl)amino]phenyl]-4-(4-methoxy-1-naphthyl)pyridine-3-carbonitrile",NA,"COC1=CC=C(C2=CC=CC=C21)C3=CC(=NC(=C3C#N)N)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","MIGUSJYGNVKHCZ-UHFFFAOYSA-N",396050,NA,"PDBC15457","701377","Present",NA,NA
+"15458","2-Amino-6-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-[4-[(7-chloro-4-quinolyl)amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","OWGVAOYGXIJLGY-UHFFFAOYSA-N",396049,NA,"PDBC15458","701376","Present",NA,NA
+"15459","2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(3-methoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(3-methoxyphenyl)pyridine-3-carbonitrile",NA,"COC1=CC=CC(=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","YSFTXQBUONPIGE-UHFFFAOYSA-N",45028693,NA,"PDBC15459","743852","Present",NA,NA
+"15460","2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","GNLHXOWLMMYGDU-UHFFFAOYSA-N",45028694,NA,"PDBC15460","743853","Present",NA,NA
+"15461","2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-[4-(dimethylamino)phenyl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-[4-(dimethylamino)phenyl]pyridine-3-carbonitrile",NA,"CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","FXJYHXZREBXQFU-UHFFFAOYSA-N",45028695,NA,"PDBC15461","743854","Present",NA,NA
+"15462","2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-phenylpyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-[4-[[4,6-bis(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-phenylpyridine-3-carbonitrile",NA,"C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","MENBUUBOOBDUKW-UHFFFAOYSA-N",45028692,NA,"PDBC15462","743851","Present",NA,NA
+"15463","2-Amino-6-[4-[[4-anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-[4-[[4-anilino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]amino]phenyl]-4-(4-methoxyphenyl)pyridine-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=C(C=C6)Cl","KAOJKHJNFVFZFB-UHFFFAOYSA-N",54613688,NA,"PDBC15463","749380","Present",NA,NA
+"15464","2-Amino-6-[amino(methyl)amino]pyridine-3,4,5-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-[amino(methyl)amino]pyridine-3,4,5-tricarbonitrile",NA,"CN(C1=C(C(=C(C(=N1)N)C#N)C#N)C#N)N","MBFUDCZYDLQEIZ-UHFFFAOYSA-N",265400,NA,"PDBC15464","101329","Present",NA,NA
+"15465","2-Amino-6-chloro-4-[(4-hydroxybutyl)amino]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-chloro-4-[(4-hydroxybutyl)amino]pyrimidine",NA,"C1=C(N=C(N=C1Cl)N)NCCCCO","JJRPKYFHANKBFL-UHFFFAOYSA-N",358991,NA,"PDBC15465","619198","Present",NA,NA
+"15466","2-Amino-6-chloropyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Pyridinedicarbonitrile, 2-amino-6-chloro-",NA,"C1=C(C(=NC(=C1C#N)Cl)N)C#N","OKTHXARAGRKGBQ-UHFFFAOYSA-N",295901,NA,"PDBC15466","165528","Present",NA,NA
+"15467","2-Amino-6-ethylsulfanyl-4-furan-2-yl-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2 -Amino-6-(ethylthio)-4-(furan-2-yl)pyridine-3,5-dicarb...",NA,"CCSC1=C(C(=C(C(=N1)N)C#N)C2=CC=CO2)C#N","GOUYQPFXXZWOTN-UHFFFAOYSA-N",745534,NA,"PDBC15467","731356","Present",NA,NA
+"15468","2-Amino-6-fluoro-4-(4-nitrophenyl)-4H-[1]benzothiolo[3,2-b]pyran-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-flouro-2-Amino-3-cyano-4-(4-nitrophenyl)-4H-1-benzothi...",NA,"C1=CC2=C(C(=C1)F)SC3=C2OC(=C(C3C4=CC=C(C=C4)[N+](=O)[O-])C#N)N","XZGQRYLIJXQDJU-UHFFFAOYSA-N",155806999,NA,"PDBC15468","796237","Present",NA,NA
+"15469","2-Amino-6-fluorofluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-fluorofluoren-9-one",NA,"C1=CC2=C(C=C1N)C(=O)C3=C2C=C(C=C3)F","SQFMIYUXUXLYDV-UHFFFAOYSA-N",347242,NA,"PDBC15469","405788","Present",NA,NA
+"15470","2-Amino-6-hexyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-hexyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,"CCCCCCC1=CC(=NC(=N1)N)C(=O)NC2=CC=CC(=C2)C(F)(F)F","FWZSHOKRDXTCOF-UHFFFAOYSA-N",360301,NA,"PDBC15470","622336","Present",NA,NA
+"15471","2-Amino-6-hydroxy-5-(phenyldiazenyl)-4-pyrimidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-hydroxy-5-(phenyldiazenyl)-4-pyrimidinecarboxylic acid",NA,"C1=CC=C(C=C1)N=NC2=C(N=C(NC2=O)N)C(=O)O","DJBAMDNSHMNVMG-UHFFFAOYSA-N",135403645,NA,"PDBC15471","96682","Present",NA,NA
+"15472","2-Amino-6-hydroxyhexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dl-.epsilon.-hydroxynorleucine",NA,"C(CCO)CC(C(=O)O)N","OLUWXTFAPJJWPL-UHFFFAOYSA-N",233487,NA,"PDBC15472","16535","Present",NA,NA
+"15473","2-Amino-6-mercapto-4-methyl-3,5-pyridinedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RSCBB000152",NA,"CC1=C(C(=S)NC(=C1C#N)N)C#N","OHZLZIABVLGKLS-UHFFFAOYSA-N",3005160,NA,"PDBC15473","678059","Present",NA,NA
+"15474","2-Amino-6-mercaptopurine riboside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thioguanosine",NA,"C1=NC2=C(N1C3C(C(C(O3)CO)O)O)NC(=NC2=S)N","OTDJAMXESTUWLO-UHFFFAOYSA-N",3938248,NA,"PDBC15474","29422","Present",NA,NA
+"15475","2-Amino-6-methoxypurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-METHOXYGUANINE",NA,"COC1=NC(=NC2=C1NC=N2)N","BXJHWYVXLGLDMZ-UHFFFAOYSA-N",65275,NA,"PDBC15475","37364","Present",NA,NA
+"15476","2-Amino-6-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3,5-dicarbonitrile",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=C2C#N)N3CCOCC3)N)C#N","GXVDUQFXCRLSSI-UHFFFAOYSA-N",24205480,NA,"PDBC15476","736018","Present",NA,NA
+"15477","2-Amino-6-morpholin-4-yl-4-pyridin-2-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-morpholin-4-yl-4-pyridin-2-ylpyridine-3,5-dicarbonitrile",NA,"C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=N3)C#N","ODARKOGOAOHPEG-UHFFFAOYSA-N",24205484,NA,"PDBC15477","736023","Present",NA,NA
+"15478","2-Amino-6-morpholin-4-yl-4-pyridin-3-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-morpholin-4-yl-4-pyridin-3-ylpyridine-3,5-dicarbonitrile",NA,"C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CN=CC=C3)C#N","CWPZTMNCFVGOOT-UHFFFAOYSA-N",24205482,NA,"PDBC15478","736020","Present",NA,NA
+"15479","2-Amino-6-morpholin-4-yl-4-pyridin-4-ylpyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-6-morpholin-4-yl-4-pyridin-4-ylpyridine-3,5-dicarbonitrile",NA,"C1COCCN1C2=C(C(=C(C(=N2)N)C#N)C3=CC=NC=C3)C#N","FRGUWVSBJRBWNF-UHFFFAOYSA-N",24205483,NA,"PDBC15479","736021","Present",NA,NA
+"15480","2-Amino-6-phosphonohexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL526852",NA,"C(CCP(=O)(O)O)CC(C(=O)O)N","QIOXWRQXHFVNLV-UHFFFAOYSA-N",2927,NA,"PDBC15480","672104","Present",NA,NA
+"15481","2-Amino-7-(2,4-cyclohexadien-1-yl(phenyl)phosphoryl)heptanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-7-(2,4-cyclohexadien-1-yl(phenyl)phosphoryl)heptanoic acid",NA,"C1C=CC=CC1P(=O)(CCCCCC(C(=O)O)N)C2=CC=CC=C2","MPRXIYJLNGKBGR-UHFFFAOYSA-N",383691,NA,"PDBC15481","672111","Present",NA,NA
+"15482","2-Amino-7-(dimethylamino)-4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-4H-chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-7-(dimethylamino)-4-(1-methyl-1,2,3,4-tetrahydro...",NA,"CN1CCCC2=C1C=CC(=C2)C3C4=C(C=C(C=C4)N(C)C)OC(=C3C#N)N","NWUGXHNOQBPZTO-UHFFFAOYSA-N",155814126,NA,"PDBC15482","787852","Present",NA,NA
+"15483","2-Amino-7-[(2,4-dimethoxyphenyl)methyl]-4-phenylsulfanyl-5,6-dihydropyrido[3,4-d]pyrimidin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-7-[(2,4-dimethoxyphenyl)methyl]-4-phenylsulfanyl-5,6-dihydropyrido[3,4-d]pyrimidin-8-one",NA,"COC1=CC(=C(C=C1)CN2CCC3=C(C2=O)N=C(N=C3SC4=CC=CC=C4)N)OC","PLJMELZAMXKOQR-UHFFFAOYSA-N",54613057,NA,"PDBC15483","750343","Present",NA,NA
+"15484","2-Amino-7-benzyl-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-8H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-7-benzyl-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-methyl-8H-purin-6-one",NA,"CN1C2=C(C(=O)N=C1N)N(CN2C3C(C(C(O3)CO)O)O)CC4=CC=CC=C4","WWJNIOCQZOFJCZ-UHFFFAOYSA-N",358310,NA,"PDBC15484","618271","Present",NA,NA
+"15485","2-Amino-7-hydroxy-4-(1-naphthyl)-4H-chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-7-hydroxy-4-(1-naphthyl)-4H-chromene-3-carbonitrile",NA,"C1=CC=C2C(=C1)C=CC=C2C3C4=C(C=C(C=C4)O)OC(=C3C#N)N","MFBQDVIBFBSHLQ-UHFFFAOYSA-N",3296874,NA,"PDBC15485","736769","Present",NA,NA
+"15486","2-Amino-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-7-hydroxy-4-(2-methoxyphenyl)-4H-chromene-3-carb...",NA,"COC1=CC=CC=C1C2C3=C(C=C(C=C3)O)OC(=C2C#N)N","JSINZKYQKSXBQD-UHFFFAOYSA-N",3505618,NA,"PDBC15486","737796","Present",NA,NA
+"15487","2-Amino-7-methoxy-4,10-dimethyl-[1]benzofuro[3,2-f]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-7-methoxy-4,10-dimethyl-1H-benzofuro[2,3-f]isoin...",NA,"CC1=C2C3=C(C=C(C=C3)OC)OC2=C(C4=C1C(=O)N(C4=O)N)C","BFUMPJCOHXUMFA-UHFFFAOYSA-N",155811166,NA,"PDBC15487","799299","Present",NA,NA
+"15488","2-Amino-7-methyl-9H-thioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9681AE",NA,"CC1=CC2=C(C=C1)SC3=C(C2=O)C=C(C=C3)N","VVQULFWWOHEBQC-UHFFFAOYSA-N",337138,NA,"PDBC15488","354084","Present",NA,NA
+"15489","2-Amino-7-oxo-N-pyridin-2-ylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 01020669",NA,"C1=CC=NC(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=N","SVOLOBZEQBXJPW-UHFFFAOYSA-N",135426625,NA,"PDBC15489","704394","Present",NA,NA
+"15490","2-Amino-7-phosphonoheptanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AP-7",NA,"C(CCC(C(=O)O)N)CCP(=O)(O)O","MYDMWESTDPJANS-UHFFFAOYSA-N",3122,NA,"PDBC15490","672105","Present",NA,NA
+"15491","2-Amino-8-fluoro-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-8-fluoro-4,6-dimethyl-3-oxo-1-N,9-N-bis[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C(C=C(C4=C3N=C5C(=C(C(=O)C(=C5O4)C)N)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)F","MBHBKYUJERKJAW-UHFFFAOYSA-N",383041,NA,"PDBC15491","671031","Present",NA,NA
+"15492","2-Amino-9-(1-(2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)ethyl)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9-(1-(2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)ethyl)-9H-purin-6-ol",NA,"CC1=CC=C(C=C1)SCC(CF)OC(C)N2C=NC3=C2N=C(NC3=O)N","QOGHWQPMXJWPAI-UHFFFAOYSA-N",135409231,NA,"PDBC15492","670537","Present",NA,NA
+"15493","2-Amino-9-(2-(2-hydroxyethyl)benzyl)-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9-(2-(2-hydroxyethyl)benzyl)-9H-purin-6-ol",NA,"C1=CC=C(C(=C1)CCO)CN2C=NC3=C2N=C(NC3=O)N","APJFPLRPKJGRJT-UHFFFAOYSA-N",135492127,NA,"PDBC15493","644201","Present",NA,NA
+"15494","2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxy-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-8-phenylmethoxypurin-6-one",NA,"CN1C(=O)C2=C(N=C1N)N(C(=N2)OCC3=CC=CC=C3)C4C(C(C(O4)CO)O)O","GGBYVYDNNBAHOS-UHFFFAOYSA-N",274080,NA,"PDBC15494","119847","Present",NA,NA
+"15495","2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1,8-dihydropurin-6-one",NA,"CN1CN(C2=C1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O","ZBDDPUHBOFHFRK-UHFFFAOYSA-N",135422750,NA,"PDBC15495","618270","Present",NA,NA
+"15496","2-Amino-9-[[(1S,3R)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl]-1H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9-{[(1s,3r)-3-(hydroxymethyl)-2,2,3-trimethylcyclopentyl]methyl}-9h-purin-6-ol",NA,"CC1(C(CCC1(C)CO)CN2C=NC3=C2N=C(NC3=O)N)C","WMHBKNWGRBZDNK-PSLIRLAXSA-N",135426587,NA,"PDBC15496","700350","Present",NA,NA
+"15497","2-Amino-9-[[2-(hydroxymethyl)phenyl]methyl]-1H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9-[2-(hydroxymethyl)benzyl]-3,9-dihydro-6h-purin-6-one",NA,"C1=CC=C(C(=C1)CN2C=NC3=C2N=C(NC3=O)N)CO","IKPWMSYYYXXZOM-UHFFFAOYSA-N",135436425,NA,"PDBC15497","723379","Present",NA,NA
+"15498","2-Amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-1H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9-[[3-(hydroxymethyl)cyclopentyl]methyl]-3H-purin-6-one",NA,"C1CC(CC1CN2C=NC3=C2N=C(NC3=O)N)CO","ZAECLQDHGPTZFV-UHFFFAOYSA-N",135426586,NA,"PDBC15498","700344","Present",NA,NA
+"15499","2-Amino-9-[[4-(hydroxymethyl)phenyl]methyl]-1H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9-[4-(hydroxymethyl)benzyl]-3,9-dihydro-6h-purin-6-one",NA,"C1=CC(=CC=C1CN2C=NC3=C2N=C(NC3=O)N)CO","VBWJYWGKQIJFDH-UHFFFAOYSA-N",135436427,NA,"PDBC15499","723383","Present",NA,NA
+"15500","2-Amino-9-benzyl-6-((4-(hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyl-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-9H-purin-2-amine",NA,"CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N)[N+](=O)[O-]","KHTLNGFUSVKKLF-UHFFFAOYSA-N",238855,NA,"PDBC15500","43413","Present",NA,NA
+"15501","2-Amino-9-chloro-3,5-bis(4-chlorophenyl)pyrimido[4,5-c]quinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9-chloro-3,5-bis(4-chlorophenyl)pyrimido[4,5-c]quinolin-1-one",NA,"C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C4=C2N=C(N(C4=O)N)C5=CC=C(C=C5)Cl)Cl","SCEYVMIYTLSPLR-UHFFFAOYSA-N",16126264,NA,"PDBC15501","741296","Present",NA,NA
+"15502","2-Amino-9-ethyl-3H-purine-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PC 208A",NA,"CCN1C=NC2=C1NC(=NC2=S)N","XKGZWNJXERQFKP-UHFFFAOYSA-N",3766626,NA,"PDBC15502","40660","Present",NA,NA
+"15503","2-Amino-9-fluorenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9-fluorenone",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N","SJODITPGMMSNRF-UHFFFAOYSA-N",18357,NA,"PDBC15503","12368","Present",NA,NA
+"15504","2-Amino-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-9H-[1,2,4]triazolo[5,1-b][1,3]benzothiazin-9-one",NA,"C1=CC=C2C(=C1)C(=O)N3C(=NC(=N3)N)S2","MLXRPDFCWNYDPJ-UHFFFAOYSA-N",364994,NA,"PDBC15504","631903","Present",NA,NA
+"15505","2-Amino-N'-(2-aminobenzoyl)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N'-(2-aminobenzoyl)benzohydrazide",NA,"C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2N)N","SPFZLGKZSROIJB-UHFFFAOYSA-N",392122,NA,"PDBC15505","691994","Present",NA,NA
+"15506","2-Amino-N'-(2-chlorophenyl)benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N'-(2-chlorophenyl)benzenecarboximidamide",NA,"C1=CC=C(C(=C1)C(=NC2=CC=CC=C2Cl)N)N","RKFUZQOEPWRSIA-UHFFFAOYSA-N",397633,NA,"PDBC15506","705996","Present",NA,NA
+"15507","2-Amino-N'-(3,4-dichlorophenyl)benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EH00093",NA,"C1=CC=C(C(=C1)C(=NC2=CC(=C(C=C2)Cl)Cl)N)N","HSTCNHYIVMLVLC-UHFFFAOYSA-N",397636,NA,"PDBC15507","705999","Present",NA,NA
+"15508","2-Amino-N'-(3-chlorophenyl)benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N'-(3-chlorophenyl)benzenecarboximidamide",NA,"C1=CC=C(C(=C1)C(=NC2=CC(=CC=C2)Cl)N)N","NLJDVHOJYUCWAL-UHFFFAOYSA-N",397634,NA,"PDBC15508","705997","Present",NA,NA
+"15509","2-Amino-N'-(4-chlorophenyl)benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EH00091",NA,"C1=CC=C(C(=C1)C(=NC2=CC=C(C=C2)Cl)N)N","CGJRUFXWBGNNJB-UHFFFAOYSA-N",397635,NA,"PDBC15509","705998","Present",NA,NA
+"15510","2-Amino-N'-hydroxypropanimidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC362121",NA,"CC(C(=NO)N)N.Cl","AEDUBEBACJIFLB-UHFFFAOYSA-N",24200182,NA,"PDBC15510","362121","Present",NA,NA
+"15511","2-Amino-N'-phenylbenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EH00087",NA,"C1=CC=C(C=C1)N=C(C2=CC=CC=C2N)N","PUIHDSWBMBOMPS-UHFFFAOYSA-N",397632,NA,"PDBC15511","705995","Present",NA,NA
+"15512","2-Amino-N(1),N(3)-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isophthalanide, 2-amino-4',4''-di-2-imidazolin-2-yl- (8ci)",NA,"C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=C(C(=CC=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5)N","OBAUDPAEJYJNTG-UHFFFAOYSA-N",251786,NA,"PDBC15512","72564","Present",NA,NA
+"15513","2-Amino-N-(2,5-dimethylphenyl)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-(2,5-dimethylphenyl)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C2=NC(=NC(=C2)C3=C(NC4=CC=CC=C4S3)C)N","FUJKDFADGSCOND-UHFFFAOYSA-N",364959,NA,"PDBC15513","631845","Present",NA,NA
+"15514","2-Amino-N-(2,5-dimethylphenyl)-6-(4-nitrophenyl)pyrimidine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-(2,5-dimethylphenyl)-6-(4-nitrophenyl)pyrimidine-4-carboxamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C2=NC(=NC(=C2)C3=CC=C(C=C3)[N+](=O)[O-])N","ATRFJNHTIBISPG-UHFFFAOYSA-N",364270,NA,"PDBC15514","630287","Present",NA,NA
+"15515","2-Amino-N-(2-(((2-amino-6-ethyl-5-methyl-4-pyrimidinyl)carbonyl)amino)ethyl)-6-ethyl-5-methyl-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-[2-[(2-amino-6-ethyl-5-methylpyrimidine-4-carbonyl)amino]ethyl]-6-ethyl-5-methylpyrimidine-4-carboxamide",NA,"CCC1=C(C(=NC(=N1)N)C(=O)NCCNC(=O)C2=NC(=NC(=C2C)CC)N)C","SMDXMSQJERBWMN-UHFFFAOYSA-N",364948,NA,"PDBC15515","631834","Present",NA,NA
+"15516","2-Amino-N-(2-((4-((2-((2-amino-4-(methylthio)butanoyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)-4-(methylthio)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-[2-[[4-[2-[(2-amino-4-methylsulfanylbutanoyl)amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]-4-methylsulfanylbutanamide",NA,"CSCCC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CCSC)N)C(=O)C3=CC=CC=C3C2=O)N","BHBWSRDZPMNWRN-UHFFFAOYSA-N",438924,NA,"PDBC15516","684440","Present",NA,NA
+"15517","2-Amino-N-(3,4-dichlorophenyl)-6-(2-methyl-1-propenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-(3,4-dichlorophenyl)-6-(2-methyl-1-propenyl)-4-pyrimidinecarboxamide",NA,"CC(=CC1=CC(=NC(=N1)N)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C","SYEDFNUNTVRQIW-UHFFFAOYSA-N",364951,NA,"PDBC15517","631837","Present",NA,NA
+"15518","2-Amino-N-(3,4-dichlorophenyl)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-(3,4-dichlorophenyl)-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide",NA,"CC1=C(SC2=CC=CC=C2N1)C3=CC(=NC(=N3)N)C(=O)NC4=CC(=C(C=C4)Cl)Cl","YXTKZZGPHYAZBU-UHFFFAOYSA-N",364273,NA,"PDBC15518","630290","Present",NA,NA
+"15519","2-Amino-N-(4-chlorophenyl)-5-cyano-6-hydroxy-4-(methylthio)nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-(4-chlorophenyl)-5-cyano-6-hydroxy-4-(methylthio)nicotinamide",NA,"CSC1=C(C(=O)NC(=C1C(=O)NC2=CC=C(C=C2)Cl)N)C#N","GDLURQLOBQVCFU-UHFFFAOYSA-N",392128,NA,"PDBC15519","692008","Present",NA,NA
+"15520","2-Amino-N-(4-chlorophenyl)-6-(3-methoxyphenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-(4-chlorophenyl)-6-(3-methoxyphenyl)-4-pyrimidinecarboxamide",NA,"COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)C(=O)NC3=CC=C(C=C3)Cl","WHOOWDRANBHQPT-UHFFFAOYSA-N",364269,NA,"PDBC15520","630286","Present",NA,NA
+"15521","2-Amino-N-(9H-fluoren-9-yl)-5-methoxy-4-phenylmethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(9H-9-fluorenyl)-2-amino-4-(benyloxy)-5-methoxy benza...",NA,"COC1=C(C=C(C(=C1)C(=O)NC2C3=CC=CC=C3C4=CC=CC=C24)N)OCC5=CC=CC=C5","VZROYKLGCSRARF-UHFFFAOYSA-N",25014686,NA,"PDBC15521","742259","Present",NA,NA
+"15522","2-Amino-N-[(E)-[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-3-(4-hydroxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Tyrosine, [[4-[bis(2-chloroethyl)amino]phenyl]methylen...",NA,"C1=CC(=CC=C1CC(C(=O)NN=CC2=CC=C(C=C2)N(CCCl)CCCl)N)O","WBMLOIZUPQOBPX-ZVHZXABRSA-N",9568284,NA,"PDBC15522","82587","Present",NA,NA
+"15523","2-Amino-N-[1-(1-benzothiophen-2-yl)cyclohexyl]acetamide;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-[1-(1-benzothiophen-2-yl)cyclohexyl]acetamide;(E)-but-2-enedioic acid",NA,"C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NC(=O)CN.C(=CC(=O)O)C(=O)O","XCEUKWOCSOHMJO-WLHGVMLRSA-N",5471073,NA,"PDBC15523","708106","Present",NA,NA
+"15524","2-Amino-N-[4,5-dichloro-2-[[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]methyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-[4,5-dichloro-2-[[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]methyl]phenyl]acetamide",NA,"CN(CC1=CC(=C(C=C1NC(=O)CN)Cl)Cl)C2CCCCC2N3CCCC3","VXWXQUXBJFNWBL-OALUTQOASA-N",398349,NA,"PDBC15524","708073","Present",NA,NA
+"15525","2-Amino-N-[4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-(4-chloro-2-(1H-pyrrole-2-carbonyl)phenyl)acet...",NA,"C1=CNC(=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CN","HEMNVSCJOZIBEQ-UHFFFAOYSA-N",284708,NA,"PDBC15525","140873","Present",NA,NA
+"15526","2-Amino-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-methyl-1,3-thiazole-5-carboxamide",NA,"CC1=C(SC(=N1)N)C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C","LBNJAUBZIUYYDG-UHFFFAOYSA-N",45027934,NA,"PDBC15526","740205","Present",NA,NA
+"15527","2-Amino-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 2-amino-N-[[4-[(5-bromopyrimidin-2-yl)oxy]3-m...",NA,"CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2N)OC3=NC=C(C=N3)Br","ORIPEOKULFJBFK-UHFFFAOYSA-N",372559,NA,"PDBC15527","647884","Present",NA,NA
+"15528","2-Amino-N-benzyl-6-hexyl-7-oxochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK835200",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NCC3=CC=CC=C3)O","RLVFMXKTONSNPK-UHFFFAOYSA-N",135426593,NA,"PDBC15528","701077","Present",NA,NA
+"15529","2-Amino-N-methyl-N-[(4-methylphenyl)diazenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-methyl-N-[(4-methylphenyl)diazenyl]propanamide",NA,"CC1=CC=C(C=C1)N=NN(C)C(=O)C(C)N","RVLCFMOLKLZEFA-UHFFFAOYSA-N",394861,NA,"PDBC15529","698949","Present",NA,NA
+"15530","2-Amino-N-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-methyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide",NA,"CNC(=O)C1(C2=CC=CC=C2C=CC3=CC=CC=C31)N","RSSOYVJERZUZLC-UHFFFAOYSA-N",398110,NA,"PDBC15530","707475","Present",NA,NA
+"15531","2-Amino-N-octadecyl-3-(5-phenylmethoxypyridin-2-yl)propanamide;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-N-octadecyl-3-(5-phenylmethoxypyridin-2-yl)propanamide;2,2,2-trifluoroacetic acid",NA,"CCCCCCCCCCCCCCCCCCNC(=O)C(CC1=NC=C(C=C1)OCC2=CC=CC=C2)N.C(=O)(C(F)(F)F)O","XQRFQVCZSDQKOT-UHFFFAOYSA-N",400193,NA,"PDBC15531","711712","Present",NA,NA
+"15532","2-Aminoacetanilide hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC14288",NA,"C1=CC=C(C=C1)NC(=O)CN.Cl","WJJKZMFCHGHFBD-UHFFFAOYSA-N",458752,NA,"PDBC15532","14288","Present",NA,NA
+"15533","2-Aminobenzene-1,3,5-trisulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Compound 25857",NA,"C1=C(C=C(C(=C1S(=O)(=O)N)N)S(=O)(=O)N)S(=O)(=O)N","JVSIPBVRSZVDHF-UHFFFAOYSA-N",230714,NA,"PDBC15533","25857","Present",NA,NA
+"15534","2-Aminoethanol;5-[(4-nitrophenyl)-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Aminoethanol;5-[(4-nitrophenyl)-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione",NA,"C1=CC(=CC=C1C(C2C(=O)NC(=O)NC2=O)C3C(=O)NC(=O)NC3=O)[N+](=O)[O-].C(CO)N","JWBSFVWQLNLRFT-UHFFFAOYSA-N",6712676,NA,"PDBC15534","705854","Present",NA,NA
+"15535","2-Aminoethyl(diphenyl)phosphanium;platinum(4+);chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685468",NA,"C1=CC=C(C=C1)[PH+](CCN)C2=CC=CC=C2.C1=CC=C(C=C1)[PH+](CCN)C2=CC=CC=C2.[Cl-].[Pt+4]","VKIVLPTWJVWIEX-UHFFFAOYSA-O",24202550,NA,"PDBC15535","685468","Present",NA,NA
+"15536","2-Aminofluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aminofluoren(german)",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)N","CFRFHWQYWJMEJN-UHFFFAOYSA-N",1539,NA,"PDBC15536","12274","Present",NA,NA
+"15537","2-Aminohexadecan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783085",NA,"CCCCCCCCCCCCCC(=O)C(C)N","NPBASQZHSXDPSF-UHFFFAOYSA-N",17973409,NA,"PDBC15537","783085","Present",NA,NA
+"15538","2-Aminomethylpiperidine-4-(2-hydroxy-5-chlorophenyl)-6-phenyl pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-aminomethylpiperidine-4-(2-hydroxy-5-chlorophenyl)-6-p...",NA,"C1CCN(CC1)CNC2=NC(=CC(=N2)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4","HSPXJOOLTYSHLR-UHFFFAOYSA-N",399970,NA,"PDBC15538","711122","Present",NA,NA
+"15539","2-Aminophenol; 2-hydroxy-1,3,2-dioxastibolane-4,5-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Aminophenol; 2-hydroxy-1,3,2-dioxastibolane-4,5-dicarboxylic acid",NA,"C1=CC=C(C(=C1)N)O.C1(C(O[Sb]O1)C(=O)O)C(=O)O.O","LLUVXGRUWUQUGT-UHFFFAOYSA-N",16682749,NA,"PDBC15539","31660","Present",NA,NA
+"15540","2-Aminophenothiazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ATON",NA,"C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3S2)N.Cl","RWVIXLAPUYQGIG-UHFFFAOYSA-N",2834192,NA,"PDBC15540","196869","Present",NA,NA
+"15541","2-Anilino-2-[4-[anilino(cyano)methyl]phenyl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Anilino-2-[4-[anilino(cyano)methyl]phenyl]acetonitrile",NA,"C1=CC=C(C=C1)NC(C#N)C2=CC=C(C=C2)C(C#N)NC3=CC=CC=C3","FTSCRIFQTOUYPU-UHFFFAOYSA-N",387696,NA,"PDBC15541","681725","Present",NA,NA
+"15542","2-Anilino-3-chloro-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK862428",NA,"C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","CIWCIDRTACZSAZ-UHFFFAOYSA-N",14161,NA,"PDBC15542","4285","Present",NA,NA
+"15543","2-Anilino-5-aryloxazole 24",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW622055X",NA,"CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC=CC=C3Cl","QAAZSECJUMWUTP-UHFFFAOYSA-N",5329857,NA,"PDBC15543","756286","Present",NA,NA
+"15544","2-Anilino-5-chloro-N-(5-fluoro-2-methylphenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766717",NA,"CC1=C(C=C(C=C1)F)NC(=O)C2=C(C=CC(=C2)Cl)NC3=CC=CC=C3","YDYIMBIBJGKUCE-UHFFFAOYSA-N",15998601,NA,"PDBC15544","766717","Present",NA,NA
+"15545","2-Anilino-7-oxochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK030831",NA,"C1=CC=C(C=C1)N=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)N","HWFCJTQLOXHQHQ-UHFFFAOYSA-N",135426627,NA,"PDBC15545","704428","Present",NA,NA
+"15546","2-Anilino-9-phenyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Anilino-9-phenyl-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one",NA,"C1C2=NC3=CC=CC=C3C(=C2C(=O)N1NC4=CC=CC=C4)C5=CC=CC=C5","DUMZERJISHELHI-UHFFFAOYSA-N",372524,NA,"PDBC15546","647658","Present",NA,NA
+"15547","2-Anilino-N'-(2,4-bis(hydroxy(oxido)amino)phenyl)-4-methyl-1,3-thiazole-5-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Anilino-N'-(2,4-bis(hydroxy(oxido)amino)phenyl)-4-methyl-1,3-thiazole-5-carbohydrazide",NA,"CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","NBURCQUYRPUOQB-UHFFFAOYSA-N",3837233,NA,"PDBC15547","637676","Present",NA,NA
+"15548","2-Anilino-N-(2-tert-butyl-2,4-dihydroxy-5-oxopyrrol-1-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Anilino-N-(2-tert-butyl-2,4-dihydroxy-5-oxopyrrol-1-yl)benzamide",NA,"CC(C)(C)C1(C=C(C(=O)N1NC(=O)C2=CC=CC=C2NC3=CC=CC=C3)O)O","WMUQHNIRFLEXMV-UHFFFAOYSA-N",398007,NA,"PDBC15548","707079","Present",NA,NA
+"15549","2-Anilino-N-[2-methyl-4-oxo-6-(phenylsulfamoyl)quinazolin-3-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Anilino-N-[2-methyl-4-oxo-6-(phenylsulfamoyl)quinazolin-3-yl]acetamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3)C(=O)N1NC(=O)CNC4=CC=CC=C4","YHYFNAIRYLYWBC-UHFFFAOYSA-N",390403,NA,"PDBC15549","687757","Present",NA,NA
+"15550","2-Anilino-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((1-(3-phenoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl)-2-...",NA,"C1=CC=C(C=C1)NC2=C(C=CC=N2)C(=O)NCC3=CN(N=N3)CC4=CC(=CC=C4)OC5=CC=CC=C5","WRABHOGLDBGWLC-UHFFFAOYSA-N",90680997,NA,"PDBC15550","761812","Present",NA,NA
+"15551","2-Anilinobutanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Anilinosuccinic acid",NA,"C1=CC=C(C=C1)NC(CC(=O)O)C(=O)O","LUHMZMOENSCJAC-UHFFFAOYSA-N",272745,NA,"PDBC15551","117429","Present",NA,NA
+"15552","2-Anilinothieno[3,2-b]pyridine-3-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(phenylamino)thieno[3,2-b]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(SC2=C1N=CC=C2)NC3=CC=CC=C3","OAOXXRIZCJLTMS-UHFFFAOYSA-N",400002,NA,"PDBC15552","711184","Present",NA,NA
+"15553","2-Azaadenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Azaadenine",NA,"C1=NC2=NN=NC(=C2N1)N","QHVZREGCOXMZPG-UHFFFAOYSA-N",5480214,NA,"PDBC15553","57048","Present",NA,NA
+"15554","2-Azetidinone, 4-(6-bromo-2-chloro-3-quinolinyl)-3-chloro-1-(3-chloro-4-fluorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Azetidinone, 4-(6-bromo-2-chloro-3-quinolinyl)- 3-chlo...",NA,"C1=CC(=C(C=C1N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl)F","QFQFIQWWLKOPSY-UHFFFAOYSA-N",402319,NA,"PDBC15554","716210","Present",NA,NA
+"15555","2-Azido-10-[(4-dimethylamino)butyl]phenothiazine, oxalate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Azido-10-[(4-dimethylamino)butyl]phenothiazine, oxalat...",NA,"CN(C)CCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)N=[N+]=[N-].C(=O)(C(=O)O)O","VDDBVQNXLNVBNB-UHFFFAOYSA-N",385933,NA,"PDBC15555","677395","Present",NA,NA
+"15556","2-Azido-5-[4-(5-azido-1,3,4-oxadiazol-2-yl)butyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2.Lambda.~5~-1,2-Triazadienyl)-5-(4-(5-(2.lambda.~5~-1,2-triazadienyl)-1,3,4-oxadiazol-2-yl)butyl)-1,3,4-oxadiazole",NA,"C(CCC1=NN=C(O1)N=[N+]=[N-])CC2=NN=C(O2)N=[N+]=[N-]","WVXKFLNEVJFVOS-UHFFFAOYSA-N",368769,NA,"PDBC15556","639965","Present",NA,NA
+"15557","2-Azidoadamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Azidoadamantane",NA,"C1C2CC3CC1CC(C2)C3N=[N+]=[N-]","DBMHNOXGUUDEPE-UHFFFAOYSA-N",357115,NA,"PDBC15557","615000","Present",NA,NA
+"15558","2-Azulen-4-yloxyethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Azulen-4-yloxy)ethanol",NA,"C1=CC=C(C2=CC=CC2=C1)OCCO","AHQGWIWQJFYMOG-UHFFFAOYSA-N",402618,NA,"PDBC15558","716774","Present",NA,NA
+"15559","2-Benzamido-2-(trifluoromethyl)penta-3,4-dienoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Benzoylamino)-2-(trifluoromethyl)penta-3,4-dienoic acid",NA,"C=C=CC(C(=O)O)(C(F)(F)F)NC(=O)C1=CC=CC=C1","GZCTUAHLWGSBBV-UHFFFAOYSA-N",364659,NA,"PDBC15559","631250","Present",NA,NA
+"15560","2-Benzamido-2-benzyl-3-(5-hydroxypyridin-2-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzamido-2-benzyl-3-(5-hydroxy-2-pyridyl)propanoic acid",NA,"C1=CC=C(C=C1)CC(CC2=NC=C(C=C2)O)(C(=O)O)NC(=O)C3=CC=CC=C3","AMLVSFPQUDZDGA-UHFFFAOYSA-N",397811,NA,"PDBC15560","706387","Present",NA,NA
+"15561","2-Benzamido-3-(5-hydroxypyridin-2-yl)-2-methylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzamido-3-(5-hydroxy-2-pyridyl)-2-methyl-propanoic acid",NA,"CC(CC1=NC=C(C=C1)O)(C(=O)O)NC(=O)C2=CC=CC=C2","YIXXWMUXDIATSB-UHFFFAOYSA-N",397810,NA,"PDBC15561","706386","Present",NA,NA
+"15562","2-Benzamido-N-(2-benzamidobenzoyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzamido-N-(2-benzamidobenzoyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC(=O)C3=CC=CC=C3NC(=O)C4=CC=CC=C4","SAFSOQVHJMQHIL-UHFFFAOYSA-N",359340,NA,"PDBC15562","620126","Present",NA,NA
+"15563","2-Benzamido-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-benzamido-N'-(phenyl(pyridin-2-yl)methylene)benzoh...",NA,"C1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CC=C3)C4=CC=CC=N4","MIHADTFTHFWJDZ-RMLRFSFXSA-N",155817074,NA,"PDBC15563","798680","Present",NA,NA
+"15564","2-Benzenesulfonamidopropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627209///NSC627210",NA,"CC(C(=O)O)NS(=O)(=O)C1=CC=CC=C1","KHLXTMZRKBVYST-UHFFFAOYSA-N",362838,NA,"PDBC15564","627209///627210","Present",NA,NA
+"15565","2-Benzhydryl-1H-perimidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzhydryl-1H-perimidine;hydrochloride",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NC4=CC=CC5=C4C(=CC=C5)N3.Cl","TVLDHBJJIQPFPJ-UHFFFAOYSA-N",376357,NA,"PDBC15565","657190","Present",NA,NA
+"15566","2-Benzhydrylidene-1lambda6,3lambda6-benzodithiole 1,1,3,3-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzhydrylidene-1lambda6,3lambda6-benzodithiole 1,1,3,3-tetraoxide",NA,"C1=CC=C(C=C1)C(=C2S(=O)(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4","OQAZTVWSGYBEPU-UHFFFAOYSA-N",358196,NA,"PDBC15566","618073","Present",NA,NA
+"15567","2-Benzhydrylmalononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzhydrylmalononitrile",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C#N)C#N","NKOTZAFEFBQTEI-UHFFFAOYSA-N",361638,NA,"PDBC15567","624857","Present",NA,NA
+"15568","2-Benzhydrylsulfanyl-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzhydrylsulfanyl-N-[(E)-(2,4-dichlorophenyl)methylideneamino]acetamide",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)NN=CC3=C(C=C(C=C3)Cl)Cl","PVMSDHVCWRVTLD-AFUMVMLFSA-N",24205186,NA,"PDBC15568","734506","Present",NA,NA
+"15569","2-Benzhydrylsulfanyl-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzhydrylsulfanyl-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)NN=CC3=CC=CC=C3Cl","ZPHMNPZSVDJLHP-BUVRLJJBSA-N",24205181,NA,"PDBC15569","734501","Present",NA,NA
+"15570","2-Benzhydrylsulfanyl-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzhydrylsulfanyl-N-[(E)-(3-chlorophenyl)methylideneamino]acetamide",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)NN=CC3=CC(=CC=C3)Cl","JNSHIGOJGXSHQW-BUVRLJJBSA-N",24205182,NA,"PDBC15570","734502","Present",NA,NA
+"15571","2-Benzhydrylsulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzhydrylsulfanyl-N-[(E)-furan-2-ylmethylideneamino]acetamide",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)NN=CC3=CC=CO3","LFYXKHLPWIENNE-KGENOOAVSA-N",24205189,NA,"PDBC15571","734509","Present",NA,NA
+"15572","2-Benzhydrylsulfonylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"API0008059",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)S(=O)(=O)CC(=O)O","XTXZDQKYJIHOMB-UHFFFAOYSA-N",270960,NA,"PDBC15572","114215","Present",NA,NA
+"15573","2-Benzooxazol-2-yl-benzo[f]chromen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzooxazol-2-yl-benzo[f]chromen-3-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC5=CC=CC=C5O4","IGQLBIZUYPZOGO-UHFFFAOYSA-N",395987,NA,"PDBC15573","701111","Present",NA,NA
+"15574","2-Benzothiazolepropanamide, N-(4-chloro-3-methylphenyl)-alpha-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzothiazolepropanamide, N-(4-chloro-3-methylphenyl)-alpha-oxo-",NA,"CC1=C(C=CC(=C1)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)Cl","DQNZKGBDDDYSKS-UHFFFAOYSA-N",366713,NA,"PDBC15574","635429","Present",NA,NA
+"15575","2-Benzoyl-1,1-dichloro-3-[(2-nitrophenyl)methyl]-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-benzoyl-1,1-dichloro-3-[(2-nitrophenyl)methyl]-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile",NA,"C1=CC=C(C=C1)C(=O)N2C3C(C3(Cl)Cl)C4=CC=CC=C4C2(CC5=CC=CC=C5[N+](=O)[O-])C#N","QAXWGDLYEBWLFZ-UHFFFAOYSA-N",363072,NA,"PDBC15575","627624","Present",NA,NA
+"15576","2-Benzoyl-1-benzyl-6,7-dimethoxy-1,2-dihydro-1-isoquinolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-1-benzyl-6,7-dimethoxy-1,2-dihydro-1-isoquinolinecarbonitrile",NA,"COC1=C(C=C2C(=C1)C=CN(C2(CC3=CC=CC=C3)C#N)C(=O)C4=CC=CC=C4)OC","AVORRGDTNSSFRZ-UHFFFAOYSA-N",363308,NA,"PDBC15576","628127","Present",NA,NA
+"15577","2-Benzoyl-1-cyano-6,7-dimethoxy-1,2-dihydro-4-isoquinolinyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-1-cyano-6,7-dimethoxy-1,2-dihydro-4-isoquinolinyl benzoate",NA,"COC1=C(C=C2C(=C1)C(N(C=C2OC(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N)OC","PNLQYXMGIZJFMN-UHFFFAOYSA-N",363305,NA,"PDBC15577","628124","Present",NA,NA
+"15578","2-Benzoyl-1-formyl-1,2-dihydro-1-isoquinolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-1-formyl-1,2-dihydro-1-isoquinolinecarbonitrile",NA,"C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(C=O)C#N","YPVAZGJPRBAURR-UHFFFAOYSA-N",367370,NA,"PDBC15578","637009","Present",NA,NA
+"15579","2-Benzoyl-11-nitro-14,19-diphenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-11-nitro-14,19-diphenyl-2,14,19-triazahexacyclo[9.5.5.01,9.03,8.012,16.017,21]henicosa-3,5,7,9-tetraene-13,15,18,20-tetrone",NA,"C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C4=CC5(C6C(C42C7C5C(=O)N(C7=O)C8=CC=CC=C8)C(=O)N(C6=O)C9=CC=CC=C9)[N+](=O)[O-]","MTQUMDGNSOHMRG-UHFFFAOYSA-N",364261,NA,"PDBC15579","630260","Present",NA,NA
+"15580","2-Benzoyl-2',6,7-trimethoxyspiro[3,4-dihydroisoquinoline-1,4'-cyclohexa-2,5-diene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-2',6,7-trimethoxyspiro[3,4-dihydroisoquinoline-1,4'-cyclohexa-2,5-diene]-1'-one",NA,"COC1=C(C=C2C(=C1)CCN(C23C=CC(=O)C(=C3)OC)C(=O)C4=CC=CC=C4)OC","ZXBDJAOBNBGAOO-UHFFFAOYSA-N",360650,NA,"PDBC15580","622957","Present",NA,NA
+"15581","2-Benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one",NA,"C1CNC(=O)CC2C1CN(CC2)C(=O)C3=CC=CC=C3","ZYZZLNZTPISGMA-UHFFFAOYSA-N",358292,NA,"PDBC15581","618234","Present",NA,NA
+"15582","2-Benzoyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-3,9-dihydro-1H-pyrido[3,4-b]indol-4-one",NA,"C1C2=C(C(=O)CN1C(=O)C3=CC=CC=C3)C4=CC=CC=C4N2","REAKPLJLXQXRAW-UHFFFAOYSA-N",363109,NA,"PDBC15582","627678","Present",NA,NA
+"15583","2-Benzoyl-3-(2-bromo-4,5-dimethoxybenzyl)-1,1-dichloro-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-3-[(2-bromo-4,5-dimethoxyphenyl)methyl]-1,1-dichloro-1a,7b-dihydrocyclopropa[c]isoquinoline-3-carbonitrile",NA,"COC1=C(C=C(C(=C1)CC2(C3=CC=CC=C3C4C(C4(Cl)Cl)N2C(=O)C5=CC=CC=C5)C#N)Br)OC","MBUDAQKKQGLYJK-UHFFFAOYSA-N",363094,NA,"PDBC15583","627664","Present",NA,NA
+"15584","2-Benzoyl-3-(2-furyl)-acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-3-(2-furyl)-acrylonitrile",NA,"C1=CC=C(C=C1)C(=O)C(=CC2=CC=CO2)C#N","RYSPQOWNCYWAQP-XFXZXTDPSA-N",50990110,NA,"PDBC15584","643036","Present",NA,NA
+"15585","2-Benzoyl-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylamino)-3-(4-dimethylamino-1-pyridinio)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-benzoyl-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylam...",NA,"CC1=CC(=C(C=C1Cl)[S-])S(=O)(=O)NC(=C(C#N)C(=O)C2=CC=CC=C2)[N+]3=CC=C(C=C3)N(C)C","KSIIZUKYEOFDJB-UHFFFAOYSA-N",5472667,NA,"PDBC15585","720634","Present",NA,NA
+"15586","2-Benzoyl-3-methoxyisoxazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-3-methoxyisoxazolidine",NA,"COC1CCON1C(=O)C2=CC=CC=C2","CBVVBUODFKHGEQ-UHFFFAOYSA-N",377008,NA,"PDBC15586","658226","Present",NA,NA
+"15587","2-Benzoyl-5-ethoxy-3-methylisoxazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-5-ethoxy-3-methylisoxazolidine",NA,"CCOC1CC(N(O1)C(=O)C2=CC=CC=C2)C","NJMBLMQLZWLRHO-UHFFFAOYSA-N",377015,NA,"PDBC15587","658233","Present",NA,NA
+"15588","2-Benzoyl-5-ethoxyisoxazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-5-ethoxyisoxazolidine",NA,"CCOC1CCN(O1)C(=O)C2=CC=CC=C2","FGACRHYIKZJLTO-UHFFFAOYSA-N",377012,NA,"PDBC15588","658230","Present",NA,NA
+"15589","2-Benzoyl-7-bromo-3-(dibromomethyl)-8-quinolinyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-7-bromo-3-(dibromomethyl)-8-quinolinyl acetate",NA,"CC(=O)OC1=C(C=CC2=CC(=C(N=C21)C(=O)C3=CC=CC=C3)C(Br)Br)Br","MWPNXALXXPXCAO-UHFFFAOYSA-N",370211,NA,"PDBC15589","642955","Present",NA,NA
+"15590","2-Benzoyl-8-quinolinyl hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl-[8-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-quinolyl]methanone",NA,"C1=CC=C(C=C1)C(=O)C2=NC3=C(C=CC=C3OC4C(C(C(C(O4)CO)O)O)O)C=C2","RVKGLPXTBFFCSC-UHFFFAOYSA-N",370222,NA,"PDBC15590","642966","Present",NA,NA
+"15591","2-Benzoyl-N-(1,3-thiazol-2-yl)-5-isoxazolidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-N-(1,3-thiazol-2-yl)-5-isoxazolidinamine",NA,"C1CN(OC1NC2=NC=CS2)C(=O)C3=CC=CC=C3","MEGHUDUHIQGNHO-UHFFFAOYSA-N",377014,NA,"PDBC15591","658232","Present",NA,NA
+"15592","2-Benzoyl-N-(4-bromophenyl)-3-isoxazolidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-N-(4-bromophenyl)-3-isoxazolidinamine",NA,"C1CON(C1NC2=CC=C(C=C2)Br)C(=O)C3=CC=CC=C3","MVNGJXLMVJUWNS-UHFFFAOYSA-N",377009,NA,"PDBC15592","658227","Present",NA,NA
+"15593","2-Benzoyl-N-(4-methoxyphenyl)-3-methyl-5-isoxazolidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoyl-N-(4-methoxyphenyl)-3-methyl-5-isoxazolidinamine",NA,"CC1CC(ON1C(=O)C2=CC=CC=C2)NC3=CC=C(C=C3)OC","AWWLNWLZARVRMJ-UHFFFAOYSA-N",377016,NA,"PDBC15593","658234","Present",NA,NA
+"15594","2-Benzoylaminobenzamide, N-thiazol-2-yl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoylaminobenzamide, N-thiazol-2-yl-",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NC3=NC=CS3","XKDRMCXMNRVMDM-UHFFFAOYSA-N",355710,NA,"PDBC15594","609815","Present",NA,NA
+"15595","2-Benzoylethenyl-5-(3'-hydroxy-3'-methylbutynyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoylethenyl-5-(3'-hydroxy-3'-methylbutynyl)thiophene",NA,"CC(C)(C#CC1=CC=C(S1)C=CC(=O)C2=CC=CC=C2)O","QWAUHODVFDCJGX-ZHACJKMWSA-N",24205322,NA,"PDBC15595","735039","Present",NA,NA
+"15596","2-Benzoyloxy-5-[1-(4-benzoyloxy-3-carboxy-5-chlorophenyl)-4-[(8R,10S,13R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chlorobenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5.alpha.)-3.beta.-[4,4-Di(4'-benzoyloxy-3'-carboxy-5'- ...",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)OC(=O)C6=CC=CC=C6)C(=O)O)C7=CC(=C(C(=C7)Cl)OC(=O)C8=CC=CC=C8)C(=O)O)C)C","OGDKEOSZYRJBRB-CUNKKZTQSA-N",6712210,NA,"PDBC15596","659688","Present",NA,NA
+"15597","2-Benzoyloxymethyl-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-benzoyloxymethyl-1,4-naphthoquinone",NA,"C1=CC=C(C=C1)C(=O)OCC2=CC(=O)C3=CC=CC=C3C2=O","STAAWZODIFGDOL-UHFFFAOYSA-N",24206039,NA,"PDBC15597","737760","Present",NA,NA
+"15598","2-Benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzoylspiro[1,3,4,4a,5,7,8,8a-octahydroisoquinoline-6,2'-1,3-dioxolane]-1-carbonitrile",NA,"C1CC2(CC3C1C(N(CC3)C(=O)C4=CC=CC=C4)C#N)OCCO2","ZRESZLJDPVQHDJ-UHFFFAOYSA-N",358297,NA,"PDBC15598","618239","Present",NA,NA
+"15599","2-Benzyl 6-methyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl 6-methyl 2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate",NA,"COC(=O)C1CC2CN(C1C=C2)C(=O)OCC3=CC=CC=C3","GPLGSAJHGIIYOS-UHFFFAOYSA-N",393313,NA,"PDBC15599","694978","Present",NA,NA
+"15600","2-Benzyl 6-methyl 4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl 6-methyl 4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate",NA,"CC12CC(C(C=C1)N(C2)C(=O)OCC3=CC=CC=C3)C(=O)OC","OYJSXSZEOKAQMT-UHFFFAOYSA-N",393312,NA,"PDBC15600","694977","Present",NA,NA
+"15601","2-Benzyl-1,2-dihydro-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM1848460",NA,"C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N2","IBMDKBAGSDBZIJ-UHFFFAOYSA-N",411523,NA,"PDBC15601","34822","Present",NA,NA
+"15602","2-Benzyl-1,3-diphenyl-3a,6-dihydro-3H-2,1lambda5-benzazaphosphole 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-1,3-diphenyl-2,3,3a,6-tetrahydro-1h-2,1-benzazaphosphole 1-oxide",NA,"C1C=CC2C(N(P(=O)(C2=C1)C3=CC=CC=C3)CC4=CC=CC=C4)C5=CC=CC=C5","FYZOVIMAGXJXJF-UHFFFAOYSA-N",404666,NA,"PDBC15602","721090","Present",NA,NA
+"15603","2-Benzyl-1-(2-phenylethyl)-4,5-dihydroimidazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC49455",NA,"C1CN(C(=N1)CC2=CC=CC=C2)CCC3=CC=CC=C3.Cl","TYIPTENWQHJHGW-UHFFFAOYSA-N",54602889,NA,"PDBC15603","49455","Present",NA,NA
+"15604","2-Benzyl-1-[(Z)-quinolin-4-ylmethylideneamino]guanidine;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-1-[(Z)-quinolin-4-ylmethylideneamino]guanidine;hydroiodide",NA,"C1=CC=C(C=C1)CN=C(N)NN=CC2=CC=NC3=CC=CC=C23.I","SLWHJOLFMVOBSX-BWLGBDCWSA-N",54598751,NA,"PDBC15604","606752","Present",NA,NA
+"15605","2-Benzyl-1-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5109529",NA,"C1=CC=C(C=C1)CN=C(N)NC#N","VFDXJSPBOJYHQF-UHFFFAOYSA-N",373917,NA,"PDBC15605","650947","Present",NA,NA
+"15606","2-Benzyl-1-methyl-1H-naphth[2,3-d]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-benzyl-1-methyl-1H-naphth[2,3-d]imidazole",NA,"CN1C2=CC3=CC=CC=C3C=C2N=C1CC4=CC=CC=C4","COJMJERIHFTCLA-UHFFFAOYSA-N",406868,NA,"PDBC15606","725168","Present",NA,NA
+"15607","2-Benzyl-1-oxo-isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-1-oxo-isothiazolo[5,4-b]pyridin-3-one",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(S2=O)N=CC=C3","JCXBRLKKOFSIHN-UHFFFAOYSA-N",5466428,NA,"PDBC15607","690395","Present",NA,NA
+"15608","2-Benzyl-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrido[4,3-b]indole, 2,3,4,5-tetrahydro-2-(phenylmeth...",NA,"C1CN(CC2=C1NC3=CC=CC=C23)CC4=CC=CC=C4","TWZCZLLZJDKWFN-UHFFFAOYSA-N",275438,NA,"PDBC15608","122301","Present",NA,NA
+"15609","2-Benzyl-2-indanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-2-indanecarboxylic acid",NA,"C1C2=CC=CC=C2CC1(CC3=CC=CC=C3)C(=O)O","LQYPNYVOQJOFTF-UHFFFAOYSA-N",384713,NA,"PDBC15609","674949","Present",NA,NA
+"15610","2-Benzyl-3,2,4-oxadiazolidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-benzyl-3,4-diphenyl-1,2,4-oxadiazolidin-5-one",NA,"C1=CC=C(C=C1)CN2C(N(C(=O)O2)C3=CC=CC=C3)C4=CC=CC=C4","IQXHEJKTOMMTKU-UHFFFAOYSA-N",361521,NA,"PDBC15610","624645","Present",NA,NA
+"15611","2-Benzyl-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylic acid",NA,"C1CC2=CC3=C(CC(C3)(CC4=CC=CC=C4)C(=O)O)C=C2C1","FUYIQBOZRCRPLS-UHFFFAOYSA-N",384725,NA,"PDBC15611","674961","Present",NA,NA
+"15612","2-Benzyl-3-(4-chlorophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-7-(4-chlorophenyl)-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile",NA,"C1C(N(NC(=C(C1=O)C#N)C2=CC=CC=C2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl","BFAAWCBZYPUSGJ-UHFFFAOYSA-N",363800,NA,"PDBC15612","629014","Present",NA,NA
+"15613","2-Benzyl-3-ethyl-6-methyl-1,3,2-oxazaphosphinane 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-3-ethyl-6-methyl-1,3,2-oxazaphosphinane 2-oxide",NA,"CCN1CCC(OP1(=O)CC2=CC=CC=C2)C","QTOIGFDILFOPOC-UHFFFAOYSA-N",395331,NA,"PDBC15613","699813","Present",NA,NA
+"15614","2-Benzyl-3-isopropyl-6-methyl-1,3,2-oxazaphosphinane 2-sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-3-isopropyl-6-methyl-1,3,2-oxazaphosphinane 2-sulfide",NA,"CC1CCN(P(=S)(O1)CC2=CC=CC=C2)C(C)C","KUOZVDIPRNIEBQ-UHFFFAOYSA-N",395333,NA,"PDBC15614","699815","Present",NA,NA
+"15615","2-Benzyl-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-4-ium-6-amine;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-benzyl-3-methyl-2H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-4-ium bromide",NA,"CC1=[N+]2C(=NN1CC3=CC=CC=C3)SC(=N2)N.[Br-]","IWGCHNITBIWMCZ-UHFFFAOYSA-M",383492,NA,"PDBC15615","671878","Present",NA,NA
+"15616","2-Benzyl-3-methylsulfonylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AVHWPQIMONLFFZ-UHFFFAOYSA-N",NA,"CS(=O)(=O)CC(CC1=CC=CC=C1)C(=O)O","AVHWPQIMONLFFZ-UHFFFAOYSA-N",386443,NA,"PDBC15616","678411","Present",NA,NA
+"15617","2-Benzyl-3-phenylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzylacetic acid",NA,"C1=CC=C(C=C1)CC(CC2=CC=CC=C2)C(=O)O","RBLAOGBEJPHFHW-UHFFFAOYSA-N",64800,NA,"PDBC15617","6239","Present",NA,NA
+"15618","2-Benzyl-3H-[1,2,4]triazino[3,2-b]quinazoline-3,10(4H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-3H-[1,2,4]triazino[3,2-b]quinazoline-3,10(4H)-dione",NA,"C1=CC=C(C=C1)CC2=NN3C(=O)C4=CC=CC=C4N=C3NC2=O","KARWCKAYLMFSBN-UHFFFAOYSA-N",135408949,NA,"PDBC15618","648494","Present",NA,NA
+"15619","2-Benzyl-4-nitro-isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_004563",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]","IYJLTOTUYACXLP-UHFFFAOYSA-N",233212,NA,"PDBC15619","31445","Present",NA,NA
+"15620","2-Benzyl-5,6,7,8-tetrahydroisoquinolin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-5,6,7,8-tetrahydroisoquinolin-2-ium;bromide",NA,"C1CCC2=C(C1)C=C[N+](=C2)CC3=CC=CC=C3.[Br-]","YNIKQTMUHOZUQD-UHFFFAOYSA-M",359381,NA,"PDBC15620","620191","Present",NA,NA
+"15621","2-Benzyl-5,8-dimethoxy-1-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-5,8-dimethoxy-1-naphthoic acid",NA,"COC1=C2C=CC(=C(C2=C(C=C1)OC)C(=O)O)CC3=CC=CC=C3","GHXOMXYHZBZUIJ-UHFFFAOYSA-N",362101,NA,"PDBC15621","625629","Present",NA,NA
+"15622","2-Benzyl-5-((benzyloxy)methyl)-9-thia-2-azabicyclo[3.3.1]nonan-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-5-((benzyloxy)methyl)-9-thia-2-azabicyclo[3.3.1]nonan-7-one",NA,"C1CN(C2CC(=O)CC1(S2)COCC3=CC=CC=C3)CC4=CC=CC=C4","PKUIUVYDOOWWBW-UHFFFAOYSA-N",386458,NA,"PDBC15622","678487","Present",NA,NA
+"15623","2-Benzyl-6-[[2-[(3-benzyl-5-chloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-chlorophenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-6-[[2-[(3-benzyl-5-chloro-2-hydroxyphenyl)methylamino]ethylamino]methyl]-4-chlorophenol;hydrochloride",NA,"C1=CC=C(C=C1)CC2=C(C(=CC(=C2)Cl)CNCCNCC3=CC(=CC(=C3O)CC4=CC=CC=C4)Cl)O.Cl","IGSGORWPRDFXAD-UHFFFAOYSA-N",24181851,NA,"PDBC15623","11963","Present",NA,NA
+"15624","2-Benzyl-6-methylpyrazolo[3,4-d][1,3]oxazin-4(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-6-methylpyrazolo[3,4-d][1,3]oxazin-4(2H)-one",NA,"CC1=NC2=NN(C=C2C(=O)O1)CC3=CC=CC=C3","FYFSXFTZQKVTJJ-UHFFFAOYSA-N",371133,NA,"PDBC15624","645094","Present",NA,NA
+"15625","2-Benzyl-6-methylsulfanyl-5H-pyrazolo[3,4-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-6-(methylsulfanyl)-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",NA,"CSC1=NC2=NN(C=C2C(=O)N1)CC3=CC=CC=C3","SEMINIXHFAXIGF-UHFFFAOYSA-N",135500502,NA,"PDBC15625","622927","Present",NA,NA
+"15626","2-Benzyl-6a,7,8,9-tetrahydro-4aH-pyrido[4,3-e]pyrrolo[1,2-a][1,4]diazepine-6,11(2H,5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Benzyl-3,9,13-triazatricyclo[8.4.0.03,7]tetradeca-1(14),11-diene-2,8-dione",NA,"C1CC2C(=O)NC3C=CN(C=C3C(=O)N2C1)CC4=CC=CC=C4","RAHXHGJEWIAXII-UHFFFAOYSA-N",353727,NA,"PDBC15626","602810","Present",NA,NA
+"15627","2-Benzyl-7,7-dimethoxy-5,6-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-7,7-dimethoxy-5,6-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one",NA,"COC1(CC2C(C(C1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5)OC","MAUOGJCYMNQDCN-UHFFFAOYSA-N",363683,NA,"PDBC15627","628755","Present",NA,NA
+"15628","2-Benzyl-7,7-dimethoxy-5-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-7,7-dimethoxy-5-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-en-3-one",NA,"COC1(CC2C(=CC1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC","VKIBUDOIEIONMT-UHFFFAOYSA-N",363682,NA,"PDBC15628","628754","Present",NA,NA
+"15629","2-Benzyl-7,7-dimethoxy-5-(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-7,7-dimethoxy-5-(phenylsulfonyl)-2-azabicyclo[2.2.2]octan-3-one",NA,"COC1(CC2C(CC1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC","LSTRNHDFMKMGPY-UHFFFAOYSA-N",362177,NA,"PDBC15629","625761","Present",NA,NA
+"15630","2-Benzyl-7,7-dimethoxy-6-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-7,7-dimethoxy-6-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-5-en-3-one",NA,"COC1(CC2C=C(C1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC","HZFFRBWEVTWIIQ-UHFFFAOYSA-N",363680,NA,"PDBC15630","628752","Present",NA,NA
+"15631","2-Benzyl-7,8-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octane-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-7,8-bis(phenylsulfonyl)-2-azabicyclo[2.2.2]octane-3,6-dione",NA,"C1C2C(C(C(C1=O)N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","UOFCHJLYOPATKG-UHFFFAOYSA-N",363684,NA,"PDBC15631","628756","Present",NA,NA
+"15632","2-Benzyl-7-(benzyloxy)-5-((benzyloxy)methyl)-9-thia-2-azabicyclo[3.3.1]nonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-7-(benzyloxy)-5-((benzyloxy)methyl)-9-thia-2-azabicyclo[3.3.1]nonane",NA,"C1CN(C2CC(CC1(S2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)CC5=CC=CC=C5","QNZRLJMUMQDXAN-UHFFFAOYSA-N",386457,NA,"PDBC15632","678486","Present",NA,NA
+"15633","2-Benzyl-7-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-azabicyclo[2.2.2]oct-5-ene-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-7-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-azabicyclo[2.2.2]oct-5-ene-6-carbonitrile",NA,"CC(=NO)C1CC2CN(C1C(=C2)C#N)CC3=CC=CC=C3","WFMNNEXNOLXAEP-XDHOZWIPSA-N",9573919,NA,"PDBC15633","382791","Present",NA,NA
+"15634","2-Benzyl-7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-7-methoxy-1-methyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole",NA,"CC1C2=C(CCN1CC3=CC=CC=C3)C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]","JGDRHEPJRJEPOY-UHFFFAOYSA-N",363619,NA,"PDBC15634","628648","Present",NA,NA
+"15635","2-Benzyl-8-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-7-ene-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-8-(phenylsulfonyl)-2-azabicyclo[2.2.2]oct-7-ene-3,6-dione",NA,"C1C2C(=CC(C1=O)N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","MNUVVQLLWRCHGX-UHFFFAOYSA-N",363681,NA,"PDBC15635","628753","Present",NA,NA
+"15636","2-Benzylidene-1-tetralone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665347",NA,"C1CC(=CC2=CC=CC=C2)C(=O)C3=CC=CC=C31","JNRAEZULKWNOQO-NTCAYCPXSA-N",5376779,NA,"PDBC15636","665347","Present",NA,NA
+"15637","2-Benzylidene-5,6-dimethoxy-1-indanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylidene-5,6-dimethoxy-1-indanone",NA,"COC1=C(C=C2C(=C1)CC(=CC3=CC=CC=C3)C2=O)OC","OFGKZKHSXFVVBV-RIYZIHGNSA-N",5468556,NA,"PDBC15637","671633","Present",NA,NA
+"15638","2-Benzylideneacetoacetanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylideneacetoacetanilide",NA,"CC(=O)C(=CC1=CC=CC=C1)C(=O)NC2=CC=CC=C2","YOKQJHMGPPUVAM-FOWTUZBSSA-N",5388295,NA,"PDBC15638","634644","Present",NA,NA
+"15639","2-Benzylidenecyclohexanone semicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629650",NA,"C1CCC(=NNC(=O)N)C(=CC2=CC=CC=C2)C1","GNVIWFXVADWHRJ-YCNRLPBWSA-N",5371359,NA,"PDBC15639","629650","Present",NA,NA
+"15640","2-Benzylidenecyclopentanone O-(4-methylbenzoyl)oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylidenecyclopentanone O-(4-methylbenzoyl)oxime",NA,"CC1=CC=C(C=C1)C(=O)ON=C2CCCC2=CC3=CC=CC=C3","JFHSIFOBUNRDQH-BXNGOJHRSA-N",9569964,NA,"PDBC15640","629649","Present",NA,NA
+"15641","2-Benzylidenecyclopentanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylidenecyclopentanone oxime",NA,"C1CC(=CC2=CC=CC=C2)C(=NO)C1","JDMKEINRMVQHKR-ZFDSPDROSA-N",5933644,NA,"PDBC15641","629627","Present",NA,NA
+"15642","2-Benzylidenesuccinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"succinic acid, benzylidene- (8ci)",NA,"C1=CC=C(C=C1)C=C(CC(=O)O)C(=O)O","KYILORDWJFEQBS-RMKNXTFCSA-N",820629,NA,"PDBC15642","10134","Present",NA,NA
+"15643","2-Benzylsuccinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzylsuccinic acid",NA,"C1=CC=C(C=C1)CC(CC(=O)O)C(=O)O","GTOFKXZQQDSVFH-UHFFFAOYSA-N",3858,NA,"PDBC15643","20708","Present",NA,NA
+"15644","2-Benzylsulfanyl-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfanyl-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole",NA,"COC1=C(C=C(C=C1)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)OC","JARWZKHQXHVYDI-UHFFFAOYSA-N",45027967,NA,"PDBC15644","740358","Present",NA,NA
+"15645","2-Benzylsulfanyl-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfanyl-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)imidazole",NA,"COC1=C(C=C(C=C1)C2=CN(C(=N2)SCC3=CC=CC=C3)C4=CC(=C(C=C4)OC)Cl)OC","MSXLETJPNPLYDC-UHFFFAOYSA-N",45027997,NA,"PDBC15645","740536","Present",NA,NA
+"15646","2-Benzylsulfanyl-1-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfanyl-1-(4-methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole",NA,"COC1=CC=C(C=C1)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC","GUWTXQDDVIKJLH-UHFFFAOYSA-N",45027957,NA,"PDBC15646","740259","Present",NA,NA
+"15647","2-Benzylsulfanyl-3-methylnaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-406/41056674",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)SCC3=CC=CC=C3","DVPALWYMAIMQJF-UHFFFAOYSA-N",248894,NA,"PDBC15647","66457","Present",NA,NA
+"15648","2-Benzylsulfanyl-4-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfanyl-4-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole",NA,"COC1=CC(=CC(=C1OC)OC)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl","KDVHXCGTNXOMGV-UHFFFAOYSA-N",45027921,NA,"PDBC15648","740126","Present",NA,NA
+"15649","2-Benzylsulfanyl-4-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfanyl-4-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)imidazole",NA,"COC1=C(C=C(C=C1)C2=CN(C(=N2)SCC3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC)OC","APPVCRXTKVIGDF-UHFFFAOYSA-N",45027925,NA,"PDBC15649","740132","Present",NA,NA
+"15650","2-Benzylsulfanyl-4-(4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfanyl-4-(4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole",NA,"COC1=CC(=CC(=C1OC)OC)N2C=C(N=C2SCC3=CC=CC=C3)C4=CC=C(C=C4)F","PDOAMWKBSHEPIQ-UHFFFAOYSA-N",45027965,NA,"PDBC15650","740356","Present",NA,NA
+"15651","2-Benzylsulfanyl-4-chloro-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-methyl-N-(5,6-diphenyl-1,2,4-tri...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5","PUZJVQPFOQYSGW-UHFFFAOYSA-N",11753294,NA,"PDBC15651","725853","Present",NA,NA
+"15652","2-Benzylsulfanyl-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfanyl-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,"CC1=CC(=O)N2C(=N1)SC(=N2)SCC3=CC=CC=C3","BULMFBQRNNVFKC-UHFFFAOYSA-N",383729,NA,"PDBC15652","672158","Present",NA,NA
+"15653","2-Benzylsulfanyl-N-ethyl-thiazolo[5,4-d]pyrimidin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfanyl-N-ethyl-thiazolo[5,4-d]pyrimidin-7-amine",NA,"CCNC1=C2C(=NC=N1)SC(=N2)SCC3=CC=CC=C3","TYWNEWUDTLNZRS-UHFFFAOYSA-N",380056,NA,"PDBC15653","665354","Present",NA,NA
+"15654","2-Benzylsulfanylimidazo[2,1-a]isoquinoline-3-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfanylimidazo[2,1-a]isoquinoline-3-carbohydrazide",NA,"C1=CC=C(C=C1)CSC2=C(N3C=CC4=CC=CC=C4C3=N2)C(=O)NN","PKLMMYXNFAOWAQ-UHFFFAOYSA-N",389955,NA,"PDBC15654","686658","Present",NA,NA
+"15655","2-Benzylsulfonyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfonyl-5-(4-chlorophenyl)sulfonyl-1,3,4-thiadiazole",NA,"C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(S2)S(=O)(=O)C3=CC=C(C=C3)Cl","XMRHKTZYDJMPAW-UHFFFAOYSA-N",395048,NA,"PDBC15655","699233","Present",NA,NA
+"15656","2-Benzylsulfonyl-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylsulfonyl-5-(4-methoxyphenyl)sulfonyl-1,3,4-thiadiazole",NA,"COC1=CC=C(C=C1)S(=O)(=O)C2=NN=C(S2)S(=O)(=O)CC3=CC=CC=C3","SZMSUBIMJJZYKA-UHFFFAOYSA-N",395049,NA,"PDBC15656","699234","Present",NA,NA
+"15657","2-Benzylthio-4-chloro-2-(4-chlorophenylcarbamoyl)-N-(5,2,4-triazin-3-yl)-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-2-(4-chlorophenylcarbamoyl)-N-(5,6...",NA,"C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl)S(=O)(=O)NC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6","DSQJLYQTDWUCFV-UHFFFAOYSA-N",11262540,NA,"PDBC15657","728506","Present",NA,NA
+"15658","2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)-N-(1,3-ben zoxazol-2-yl)-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-(4-fluorophenylcarbamoyl)-N-(1,3...",NA,"C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=C(C=C3)F)S(=O)(=O)NC4=NC5=CC=CC=C5O4","GSMYEYYUFIVKNK-UHFFFAOYSA-N",16092411,NA,"PDBC15658","734054","Present",NA,NA
+"15659","2-Benzylthio-4-chloro-5-(4-methylphenylcarbamoyl)-N-5,2,4-triazin-3-yl)-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-(4-methylphenylcarbamoyl)-N-5,6-...",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SCC3=CC=CC=C3)S(=O)(=O)NC4=NC(=C(N=N4)C5=CC=CC=C5)C6=CC=CC=C6","WQUDDFOHHTZGOJ-UHFFFAOYSA-N",11169881,NA,"PDBC15659","731387","Present",NA,NA
+"15660","2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzothiazol-2-yl)benze nesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzothiazol-2-yl)b...",NA,"C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC4=CC=CC=C4S3","PXJLWPYYQRDLDY-UHFFFAOYSA-N",16092416,NA,"PDBC15660","734048","Present",NA,NA
+"15661","2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzoxazol-2-yl)benzene sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-cyano-N-(1,3-benzoxazol-2-yl)ben...",NA,"C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC4=CC=CC=C4O3","GXMOSDFGJBWXPG-UHFFFAOYSA-N",16092415,NA,"PDBC15661","734055","Present",NA,NA
+"15662","2-Benzylthio-4-chloro-5-cyano-N-(5,2,4-triazin-3-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-cyano-N-(5,6-diphenyl-1,2,4-tria...",NA,"C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5","JOGZMFNOCOVZOI-UHFFFAOYSA-N",11169080,NA,"PDBC15662","731388","Present",NA,NA
+"15663","2-Benzylthio-4-chloro-5-cyano-N-(5-chloro-1,3-benzoxazol-2-y l)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-cyano-N-(5-chloro-1,3-benzoxazol...",NA,"C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C#N)S(=O)(=O)NC3=NC4=C(O3)C=CC(=C4)Cl","KZYYVMWRKVQEPD-UHFFFAOYSA-N",16092430,NA,"PDBC15663","734056","Present",NA,NA
+"15664","2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzothiazol-2-yl)benz enesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzothiazol-2-yl)...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4S3","JWOQUZCAMSEJER-UHFFFAOYSA-N",16092412,NA,"PDBC15664","731398","Present",NA,NA
+"15665","2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzoxazol-2-yl)benzen esulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-methyl-N-(1,3-benzoxazol-2-yl)be...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4O3","ZAQOAQZGQIDCGG-UHFFFAOYSA-N",16092421,NA,"PDBC15665","731397","Present",NA,NA
+"15666","2-Benzylthio-4-chloro-5-methyl-N-(2,3-dihydro-1H-benzimidazo l-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-methyl-N-(2,3-dihydro-1H-benzimi...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=CC=CC=C4N3","BOBLDRSNASJIPU-UHFFFAOYSA-N",16092413,NA,"PDBC15666","731399","Present",NA,NA
+"15667","2-Benzylthio-4-chloro-5-methyl-N-(5,2,4-triazin-3-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-methyl-N-(5,6-difuryl-1,2,4-tria...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CO4)C5=CC=CO5","PJMJZXDYAFOPTD-UHFFFAOYSA-N",11444068,NA,"PDBC15667","725854","Present",NA,NA
+"15668","2-Benzylthio-4-chloro-5-methyl-N-(5-chloro-1,3-benzoxazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-methyl-N-(5-chloro-1,3-benzoxazo...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)NC3=NC4=C(O3)C=CC(=C4)Cl","XQJMRHHDFOFEAM-UHFFFAOYSA-N",16092408,NA,"PDBC15668","734050","Present",NA,NA
+"15669","2-Benzylthio-4-chloro-5-phenylcarbamoyl-N-(1,3-benzoxazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-5-phenylcarbamoyl-N-(1,3-benzoxazo...",NA,"C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)NC3=CC=CC=C3)S(=O)(=O)NC4=NC5=CC=CC=C5O4","ACFJZHDBJXTPCJ-UHFFFAOYSA-N",16092425,NA,"PDBC15669","734053","Present",NA,NA
+"15670","2-Benzylthio-4-chloro-N-(5,2,4]triazepin-3-yl)-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-N-(5,7-dimethyl-2H-[1,2,4]triazepi...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C3NNC(=CC(=N3)C)C","MOGNILOFUZOVGP-UHFFFAOYSA-N",135580440,NA,"PDBC15670","740023","Present",NA,NA
+"15671","2-Benzylthio-4-chloro-N-[imino(3,5-trimethylpyrazol-1-yl)methyl]-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-4-chloro-N-[imino(3,4,5-trimethylpyrazol-1-...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C(N)N3C(=C(C(=N3)C)C)C","GCLSBGNOYYNFDZ-UHFFFAOYSA-N",45029269,NA,"PDBC15671","745957","Present",NA,NA
+"15672","2-Benzylthio-5-carbamoyl-4-chloro-N-(5,2,4-tria zin-3-yl)benzene-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzylthio-5-carbamoyl-4-chloro-N-(5,6-diphenyl-1,2,4-...",NA,"C1=CC=C(C=C1)CSC2=C(C=C(C(=C2)Cl)C(=O)N)S(=O)(=O)NC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5","XYWJTRWORNLFNS-UHFFFAOYSA-N",11490199,NA,"PDBC15672","728503","Present",NA,NA
+"15673","2-Biphenyl-4-yl-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT019457",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC4=CC=CC=C4N3","IZQXDFSSLHWRBK-UHFFFAOYSA-N",392904,NA,"PDBC15673","694086","Present",NA,NA
+"15674","2-Bis(4-methylphenoxy)phosphoryl-1H-isoquinoline-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-methylphenyl)(1-cyanoisoquinolin-2(1h)-yl)phosphonate",NA,"CC1=CC=C(C=C1)OP(=O)(N2C=CC3=CC=CC=C3C2C#N)OC4=CC=C(C=C4)C","NFXWVIKRJLDWAX-UHFFFAOYSA-N",275224,NA,"PDBC15674","121912","Present",NA,NA
+"15675","2-Bromo-1,1,1-triethoxybutane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-1,1,1-triethoxybutane",NA,"CCC(C(OCC)(OCC)OCC)Br","SYCWKBWBOFFPRX-UHFFFAOYSA-N",371776,NA,"PDBC15675","646220","Present",NA,NA
+"15676","2-Bromo-1,4,8-trimethoxy-6-methylnaphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-bromo-6-methyl-1,4,8-trimethoxynaphthalene",NA,"CC1=CC2=C(C(=C1)OC)C(=C(C=C2OC)Br)OC","OUAKQCJUQMXAJD-UHFFFAOYSA-N",378441,NA,"PDBC15676","660979","Present",NA,NA
+"15677","2-Bromo-1-(((2,2-dimethylpropanoyl)oxy)methyl)ethyl octanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-1-(((2,2-dimethylpropanoyl)oxy)methyl)ethyl octanoate",NA,"CCCCCCCC(=O)OC(COC(=O)C(C)(C)C)CBr","LETSCFJOIJFRKL-UHFFFAOYSA-N",372445,NA,"PDBC15677","647559","Present",NA,NA
+"15678","2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-1-(2,5-dimethoxy-4-methylphenyl)ethanone",NA,"CC1=CC(=C(C=C1OC)C(=O)CBr)OC","WEEDBQSHFOQUJF-UHFFFAOYSA-N",356335,NA,"PDBC15678","611749","Present",NA,NA
+"15679","2-Bromo-1-(9-bromo-3-phenanthryl)-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-bromo-1-(9-bromophenanthren-3-yl)-propan-1-one",NA,"CC(C(=O)C1=CC2=C(C=C1)C=C(C3=CC=CC=C32)Br)Br","XKFXWHCSXIYNLB-UHFFFAOYSA-N",239421,NA,"PDBC15679","44480","Present",NA,NA
+"15680","2-Bromo-1-(9-bromophenanthren-3-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC44473",NA,"C1=CC=C2C(=C1)C(=CC3=C2C=C(C=C3)C(=O)CBr)Br","BDHMAQXMGPVBBE-UHFFFAOYSA-N",239414,NA,"PDBC15680","44473","Present",NA,NA
+"15681","2-Bromo-1-N,3-N-bis(1-hydroxy-2-methylpropan-2-yl)benzene-1,3-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-N~1~,N~3~-bis(2-hydroxy-1,1-dimethylethyl)isophthalamide",NA,"CC(C)(CO)NC(=O)C1=C(C(=CC=C1)C(=O)NC(C)(C)CO)Br","VHDPUTDSLIAKAB-UHFFFAOYSA-N",395335,NA,"PDBC15681","699817","Present",NA,NA
+"15682","2-Bromo-1-[11-(2-bromoacetyl)-7,14,15-trithia-3,11-diazadispiro[5.1.5^{8}.2^{6}]pentadecan-3-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane, 3...",NA,"C1CN(CCC12SC3(CCN(CC3)C(=O)CBr)SS2)C(=O)CBr","CKAKUWCYKQVESI-UHFFFAOYSA-N",301256,NA,"PDBC15682","177845","Present",NA,NA
+"15683","2-Bromo-1-[6-(2-bromopyridin-1-ium-1-yl)naphthalen-2-yl]pyridin-1-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-1-[6-(2-bromopyridin-1-ium-1-yl)naphthalen-2-yl]pyridin-1-ium;bromide",NA,"C1=CC=[N+](C(=C1)Br)C2=CC3=C(C=C2)C=C(C=C3)[N+]4=CC=CC=C4Br.[Br-]","GMSFZPAYPYHBEY-UHFFFAOYSA-M",54608313,NA,"PDBC15683","129757","Present",NA,NA
+"15684","2-Bromo-1-fluoro-4,5-dinitroimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-1-fluoro-4,5-dinitro-imidazole",NA,"C1(=C(N(C(=N1)Br)F)[N+](=O)[O-])[N+](=O)[O-]","MELVVRWBKAEMRH-UHFFFAOYSA-N",390556,NA,"PDBC15684","688042","Present",NA,NA
+"15685","2-Bromo-10-(3-bromo-10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-10-(3-bromo-10-oxo-9H-anthracen-9-yl)-10H-anthracen-9-one",NA,"C1=CC=C2C(=C1)C(C3=C(C2=O)C=C(C=C3)Br)C4C5=C(C=C(C=C5)Br)C(=O)C6=CC=CC=C46","MRHBNEKBCCVSMN-UHFFFAOYSA-N",417379,NA,"PDBC15685","90318","Present",NA,NA
+"15686","2-Bromo-1H-indole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH1375633",NA,"C1=CC=C2C(=C1)C(=C(N2)Br)C=O","WIRLVLFYTTULCM-UHFFFAOYSA-N",360191,NA,"PDBC15686","622163","Present",NA,NA
+"15687","2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-2-(((4-methylphenyl)sulfonyl)methyl)-3,4-dihydro-1(2H)-naphthalenone",NA,"CC1=CC=C(C=C1)S(=O)(=O)CC2(CCC3=CC=CC=C3C2=O)Br","HLFWFYVMWBSMLM-UHFFFAOYSA-N",322770,NA,"PDBC15687","280893","Present",NA,NA
+"15688","2-Bromo-2-methyl-1-indanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Inden-1-one, 2-bromo-2,3-dihydro-2-methyl-",NA,"CC1(CC2=CC=CC=C2C1=O)Br","RECHMHWGWSZYCV-UHFFFAOYSA-N",296770,NA,"PDBC15688","167249","Present",NA,NA
+"15689","2-Bromo-3,4,5-trimethoxy-N-(1-naphthyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-3,4,5-trimethoxy-N-(1-naphthyl)benzamide",NA,"COC1=C(C(=C(C(=C1)C(=O)NC2=CC=CC3=CC=CC=C32)Br)OC)OC","KYWXMRXJBFKMTF-UHFFFAOYSA-N",371255,NA,"PDBC15689","645312","Present",NA,NA
+"15690","2-Bromo-3,4,5-triphenyl-2,4-cyclopentadien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Cyclopentadien-1-one, 2-bromo-3,4,5-triphenyl- (9CI)",NA,"C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=CC=C3)Br)C4=CC=CC=C4","DBJSHCMPSZHIQH-UHFFFAOYSA-N",361740,NA,"PDBC15690","624982","Present",NA,NA
+"15691","2-Bromo-3,5,6,7-tetrahydro-2H-s-indacen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-3,5,6,7-tetrahydro-s-indacen-1(2H)-one",NA,"C1CC2=CC3=C(C=C2C1)C(=O)C(C3)Br","VWGJPHHXTSTPJQ-UHFFFAOYSA-N",382667,NA,"PDBC15691","670315","Present",NA,NA
+"15692","2-Bromo-3-(methylamino)-9,10-[1,2]benzenoanthra cene-1,4,5,8-tetraone.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-3-(methylamino)-9,10-dihydro-9,10-[1,2]benzenoan...",NA,"CNC1=C(C(=O)C2=C(C1=O)C3C4=CC=CC=C4C2C5=C3C(=O)C=CC5=O)Br","ANBWXNVQEYDOIS-UHFFFAOYSA-N",10273756,NA,"PDBC15692","727283","Present",NA,NA
+"15693","2-Bromo-3-benzyloxy-4-methoxybenzoic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM135586173",NA,"COC1=C(C(=C(C=C1)C(=O)O)Br)OCC2=CC=CC=C2","MNQPGCQOYAYWKT-UHFFFAOYSA-N",359190,NA,"PDBC15693","619872","Present",NA,NA
+"15694","2-Bromo-3-methoxy-6-(methylamino)-9,10-[1,2]be nzenoanthracene-1,4,5,8-tetraone.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-3-methoxy-6-(methylamino)-9,10-dihydrdo-9,10-[1,...",NA,"CNC1=CC(=O)C2=C(C1=O)C3C4=CC=CC=C4C2C5=C3C(=O)C(=C(C5=O)Br)OC","WNABUEWSBVIKOQ-UHFFFAOYSA-N",10389134,NA,"PDBC15694","727284","Present",NA,NA
+"15695","2-Bromo-3-methoxy-9,10-[1,2]benzenoanthracene-1,4,5,8-tetraone.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-3-methoxy-9,10-dihydro-9,10-[1,2]benzenoanthrace...",NA,"COC1=C(C(=O)C2=C(C1=O)C3C4=CC=CC=C4C2C5=C3C(=O)C=CC5=O)Br","DMKIHWHRRCVLFV-UHFFFAOYSA-N",22629990,NA,"PDBC15695","727282","Present",NA,NA
+"15696","2-Bromo-4,5-bis(trifluoromethyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-4,5-bis(trifluoromethyl)-1H-imidazole",NA,"C1(=C(N=C(N1)Br)C(F)(F)F)C(F)(F)F","IJFRBJRVYMDYGB-UHFFFAOYSA-N",357610,NA,"PDBC15696","617134","Present",NA,NA
+"15697","2-Bromo-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline",NA,"C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)Br)N","JKSUHEKFAYBVSV-UHFFFAOYSA-N",399248,NA,"PDBC15697","709925","Present",NA,NA
+"15698","2-Bromo-4-methyl-(2'-methyl-4'-N,N-bis-cyanoethylamino) azobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-4-methyl-(2'-methyl-4'-N,N-bis-cyanoethylamino) ...",NA,"CC1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)N(CCC#N)CCC#N)C)Br","KTQYMHQOZGQFBR-UHFFFAOYSA-N",365299,NA,"PDBC15698","632850","Present",NA,NA
+"15699","2-Bromo-4-methyl-1,3,5-trinitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-BROMO-2,4,6-TRINITROTOLUENE",NA,"CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Br)[N+](=O)[O-]","IKHFDQSVNNIGEN-UHFFFAOYSA-N",219376,NA,"PDBC15699","596","Present",NA,NA
+"15700","2-Bromo-4-methyl-6-(1,3-thiazol-4-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-4-methyl-6-(1,3-thiazol-4-yl)phenol",NA,"CC1=CC(=C(C(=C1)Br)O)C2=CSC=N2","VIAQIVXAXARHFM-UHFFFAOYSA-N",381601,NA,"PDBC15700","668410","Present",NA,NA
+"15701","2-Bromo-4-pyrrol-1-yl-4,5-dihydrocyclopenta[b]thiophen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-4-pyrrol-1-yl-4,5-dihydrocyclopenta[b]thiophen-6-one",NA,"C1C(C2=C(C1=O)SC(=C2)Br)N3C=CC=C3","OAAZQISSLGPNPV-UHFFFAOYSA-N",398915,NA,"PDBC15701","709149","Present",NA,NA
+"15702","2-Bromo-4-tert-butylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-tert-butyl-2-bromophenol",NA,"CC(C)(C)C1=CC(=C(C=C1)O)Br","FFRLMQPMGIMHHQ-UHFFFAOYSA-N",75147,NA,"PDBC15702","2360","Present",NA,NA
+"15703","2-Bromo-5,8-dihydroxy-3-methyl-1,4-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-5,8-dihydroxy-3-methyl-1,4-naphthoquinone",NA,"CC1=C(C2=C(C(=O)C=CC2=O)C(=C1Br)O)O","KURMYAWKKZTBDE-UHFFFAOYSA-N",378912,NA,"PDBC15703","662383","Present",NA,NA
+"15704","2-Bromo-5-[5-[5-(5-bromothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-5-[5-[5-(5-bromo-2-thienyl)-2-thienyl]-2-thienyl]thiophene",NA,"C1=C(SC(=C1)C2=CC=C(S2)Br)C3=CC=C(S3)C4=CC=C(S4)Br","ZVEGKKDAXLEMBC-UHFFFAOYSA-N",395543,NA,"PDBC15704","700235","Present",NA,NA
+"15705","2-Bromo-5-chloro-3-nitropyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KSC495S5L",NA,"C1=C(C=NC(=C1[N+](=O)[O-])Br)Cl","VFMIDVIAQMFGGP-UHFFFAOYSA-N",280681,NA,"PDBC15705","132666","Present",NA,NA
+"15706","2-Bromo-5-hydroxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salicylaldehyde, 5-bromo- (8ci)",NA,"C1=CC(=C(C=C1O)C=O)Br","SCRQAWQJSSKCFN-UHFFFAOYSA-N",387179,NA,"PDBC15706","680715","Present",NA,NA
+"15707","2-Bromo-5-methoxybenzal-2',3'-dimethoxy-5-naphthylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-5-methoxybenzal-2',3'-dimethoxy-5-naphthylamine",NA,"COC1=CC(=C(C=C1)Br)C=NC2=CC=CC3=CC(=C(C=C32)OC)OC","MKPKJMRTAOPOIE-UHFFFAOYSA-N",387181,NA,"PDBC15707","680717","Present",NA,NA
+"15708","2-Bromo-5-methoxycyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Benzoquinone, 2-bromo-5-methoxy-",NA,"COC1=CC(=O)C(=CC1=O)Br","YNEPNZYQQQVSNM-UHFFFAOYSA-N",360922,NA,"PDBC15708","623636","Present",NA,NA
+"15709","2-Bromo-6-(((3-bromo-5-tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)-4-tert-butylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-6-(((3-bromo-5-tert-butyl-2-hydroxybenzyl)(cyclohexyl)amino)methyl)-4-tert-butylphenol",NA,"CC(C)(C)C1=CC(=C(C(=C1)Br)O)CN(CC2=C(C(=CC(=C2)C(C)(C)C)Br)O)C3CCCCC3","NQIXBTDGJGXIGS-UHFFFAOYSA-N",241069,NA,"PDBC15709","48171","Present",NA,NA
+"15710","2-Bromo-6-(((3-bromo-5-tert-butyl-2-hydroxybenzyl)(methyl)amino)methyl)-4-tert-butylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-6-(((3-bromo-5-tert-butyl-2-hydroxybenzyl)(methyl)amino)methyl)-4-tert-butylphenol",NA,"CC(C)(C)C1=CC(=C(C(=C1)Br)O)CN(C)CC2=C(C(=CC(=C2)C(C)(C)C)Br)O","PYYGJCYIQDJBDR-UHFFFAOYSA-N",241482,NA,"PDBC15710","48881","Present",NA,NA
+"15711","2-Bromo-6-(5-(4-methoxyphenyl)-3-isoxazolyl)-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-6-(5-(4-methoxyphenyl)-3-isoxazolyl)-4-methylphenol",NA,"CC1=CC(=C(C(=C1)Br)O)C2=NOC(=C2)C3=CC=C(C=C3)OC","XCTYDHVGKNVUMM-UHFFFAOYSA-N",355054,NA,"PDBC15711","607993","Present",NA,NA
+"15712","2-Bromo-6-[2-[3-[2-(6-bromopyridin-2-yl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolan-2-yl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-6-[2-[3-[2-(6-bromo-2-pyridyl)-1,3-dioxolan-2-yl]propyl]-1,3-dioxolan-2-yl]pyridine",NA,"C1COC(O1)(CCCC2(OCCO2)C3=NC(=CC=C3)Br)C4=NC(=CC=C4)Br","QHDMMNGCYNWFOV-UHFFFAOYSA-N",395731,NA,"PDBC15712","700530","Present",NA,NA
+"15713","2-Bromo-6-methylpyridine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC156877",NA,"CC1=[N+](C(=CC=C1)Br)[O-]","LZOXAGOIFMCDHY-UHFFFAOYSA-N",3652084,NA,"PDBC15713","156877","Present",NA,NA
+"15714","2-Bromo-6H,7H-chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-6H,7H-chromeno[4,3-b]chromene",NA,"C1C2=C(C3=C(C=CC(=C3)Br)OC2)OC4=CC=CC=C41","UWWPRKNNHZUKAR-UHFFFAOYSA-N",387606,NA,"PDBC15714","681615","Present",NA,NA
+"15715","2-Bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-7-(piperidin-1-yl)-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",NA,"C1CCN(CC1)C2=CNC3=C2N=C(NC3=O)Br","RKIGKVJUUBVEBE-UHFFFAOYSA-N",135408950,NA,"PDBC15715","649053","Present",NA,NA
+"15716","2-Bromo-8-[(dimethylamino)methyl]cyclooctan-1-one;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-8-[(dimethylamino)methyl]cyclooctan-1-one;oxalic acid",NA,"CN(C)CC1CCCCCC(C1=O)Br.C(=O)(C(=O)O)O","WEBBBOSZQRICEM-UHFFFAOYSA-N",279600,NA,"PDBC15716","130789","Present",NA,NA
+"15717","2-Bromo-8-hydroxy-6-methylnaphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-bromo-8-hydroxy-6-methyl-1,4-naphthoquinone",NA,"CC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)Br","JTXZJKMQLWGQLZ-UHFFFAOYSA-N",378439,NA,"PDBC15717","660977","Present",NA,NA
+"15718","2-Bromo-8-methoxy-6-methyl-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-bromo-8-methoxy-6-methyl-1,4-naphthoquinone",NA,"CC1=CC2=C(C(=C1)OC)C(=O)C(=CC2=O)Br","HFDAFGDBMLSVEX-UHFFFAOYSA-N",378440,NA,"PDBC15718","660978","Present",NA,NA
+"15719","2-Bromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]-6-methylsulfanyl-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-6-methylsulfanylpurine",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4SC)Br)OC5=CC=C(C=C5)C","ZEJFHWGTXVQPMG-UHFFFAOYSA-N",389536,NA,"PDBC15719","685834","Present",NA,NA
+"15720","2-Bromo-N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline",NA,"CC1=CN2C=C(N=C2C=C1)C3=CC(=C(C=C3)N(C)C)Br","PPBRMMFRJBQXTG-UHFFFAOYSA-N",24756574,NA,"PDBC15720","741594","Present",NA,NA
+"15721","2-Bromo-N,N-dimethyl-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-N,N-dimethyl-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purin-6-amine",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4N(C)C)Br)OC5=CC=C(C=C5)C","UFVKUBPGGMJFAB-UHFFFAOYSA-N",389509,NA,"PDBC15721","685796","Present",NA,NA
+"15722","2-Bromo-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)-2-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)-2-methylpropanamide",NA,"CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)NC(=O)C(C)(C)Br","HUDOVPXYMPVBGY-UHFFFAOYSA-N",373051,NA,"PDBC15722","648884","Present",NA,NA
+"15723","2-Bromo-N-(6,7-dimethoxy-1-naphthyl)-3,4,5-trimethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-N-(6,7-dimethoxy-1-naphthyl)-3,4,5-trimethoxybenzamide",NA,"COC1=C(C=C2C(=C1)C=CC=C2NC(=O)C3=CC(=C(C(=C3Br)OC)OC)OC)OC","UYBWFMHEBYQANW-UHFFFAOYSA-N",371206,NA,"PDBC15723","645256","Present",NA,NA
+"15724","2-Bromo-N-[(2-imino-4-methyl-1,3-thiazol-5-ylidene)amino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-N-[(2-imino-4-methyl-1,3-thiazol-5-ylidene)amino]aniline",NA,"CC1=C(SC(=N1)N)N=NC2=CC=CC=C2Br","KBPPJJJWOGWJHT-UHFFFAOYSA-N",283260,NA,"PDBC15724","137633","Present",NA,NA
+"15725","2-Bromo-myristoyl-glycinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Bromotetradecanoyl)glycinamide",NA,"CCCCCCCCCCCCC(C(=O)NCC(=O)N)Br","YLYYKUPMRFKGEZ-UHFFFAOYSA-N",362877,NA,"PDBC15725","627349","Present",NA,NA
+"15726","2-Bromo-naphtho[2,3-b]furan-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-b]furan-4,9-dione, 2-bromo-",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC(=C3)Br","TWHCOSZEYZCNSM-UHFFFAOYSA-N",396287,NA,"PDBC15726","701985","Present",NA,NA
+"15727","2-Bromobenzo[c][1,5]benzodithiocine-6,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromobenzo[c][1,5]benzodithiocine-6,12-dione",NA,"C1=CC=C2C(=C1)C(=O)SC3=C(C=C(C=C3)Br)C(=O)S2","XLMPZVYVMNTYLL-UHFFFAOYSA-N",397766,NA,"PDBC15727","706189","Present",NA,NA
+"15728","2-Bromochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromochalcone",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2Br","OLPPSDMJGDTGJV-ZHACJKMWSA-N",5918180,NA,"PDBC15728","700203","Present",NA,NA
+"15729","2-Bromoethyl 4-chloro-3-nitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromoethyl 4-chloro-3-nitrobenzoate",NA,"C1=CC(=C(C=C1C(=O)OCCBr)[N+](=O)[O-])Cl","DXKZSAMZYQDNAX-UHFFFAOYSA-N",246056,NA,"PDBC15729","58634","Present",NA,NA
+"15730","2-Bromoleptoclinidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromoleptoclinidinone",NA,"C1=CC2=C(C3=NC=CC4=C5C=CC(=CC5=NC(=C43)C2=O)Br)N=C1","CPXBDTZAJSRIKJ-UHFFFAOYSA-N",378074,NA,"PDBC15730","659779","Present",NA,NA
+"15731","2-Bromopaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromopaullone",NA,"C1C2=C(C3=C(C=CC(=C3)Br)NC1=O)NC4=CC=CC=C24","IEEQWYMIVLKPFP-UHFFFAOYSA-N",369402,NA,"PDBC15731","641167","Present",NA,NA
+"15732","2-Bromophenazine 5,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromophenazine 5,10-dioxide",NA,"C1=CC=C2C(=C1)N(C3=C([N+]2=O)C=CC(=C3)Br)[O-]","QHADQMGMNWVWKS-UHFFFAOYSA-N",228612,NA,"PDBC15732","21662","Present",NA,NA
+"15733","2-Bromoquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromoquinolin-8-ol",NA,"C1=CC2=C(C(=C1)O)N=C(C=C2)Br","KPRKBBMEWFPQDJ-UHFFFAOYSA-N",384168,NA,"PDBC15733","673459","Present",NA,NA
+"15734","2-But-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-But-3-enyl-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylic acid;2,2,2-trifluoroacetic acid",NA,"C=CCCN1CCC2=C(C1C(=O)O)NC3=CC=CC=C23.C(=O)(C(F)(F)F)O","TZUKHKKASKPXKK-UHFFFAOYSA-N",359308,NA,"PDBC15734","620058","Present",NA,NA
+"15735","2-But-3-enyl-2-(2-diphenylphosphorylethyl)-1,3-dioxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-But-3-enyl-2-(2-diphenylphosphorylethyl)-1,3-dioxolane",NA,"C=CCCC1(OCCO1)CCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","SFWZFTVXMFJRHP-UHFFFAOYSA-N",373308,NA,"PDBC15735","649454","Present",NA,NA
+"15736","2-Butan-2-yl-N,N'-bis[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butan-2-yl-N,N'-bis[(E)-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]propanediamide",NA,"CCC(C)C(C(=O)NN=C1N(C(=O)CS1)C)C(=O)NN=C2N(C(=O)CS2)C","NYNFYQSQKXBYMK-JSAVKQRWSA-N",9572137,NA,"PDBC15736","704600","Present",NA,NA
+"15737","2-Butan-2-yl-N,N'-bis[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butan-2-yl-N,N'-bis[(E)-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]propanediamide",NA,"CCC(C)C(C(=O)NN=C1N(C(=O)CS1)C2=CC=CC=C2)C(=O)NN=C3N(C(=O)CS3)C4=CC=CC=C4","CZDKGQFBFZQIPK-NLLYGJECSA-N",9572138,NA,"PDBC15737","704601","Present",NA,NA
+"15738","2-Butanone, 3-(4-ethoxy-3-methoxyphenyl)-4-(4-morpholinyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butanone, 3-(4-ethoxy-3-methoxyphenyl)-4-(4-morpholiny...",NA,"CCOC1=C(C=C(C=C1)C(CN2CCOCC2)C(=O)C)OC.Cl","VJKJXUQYSWFLMB-UHFFFAOYSA-N",373901,NA,"PDBC15738","650908","Present",NA,NA
+"15739","2-Butenamide,6-dichlorophenyl)-4-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenamide, 4-(2,6-dichlorophenyl)-4-oxo-",NA,"C1=CC(=C(C(=C1)Cl)C(=O)C=CC(=O)N)Cl","ZYIKIIOWBLFSTC-SNAWJCMRSA-N",5951628,NA,"PDBC15739","306203","Present",NA,NA
+"15740","2-Butenedioic acid, diethyl ester, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenedioic acid, 2-hydroxy-3-methyl-, diethyl ester, ...",NA,"CCOC(=O)C(=C(C(=O)OCC)O)C.[Na+]","QWDCFYNWTQWMCQ-UHDJGPCESA-N",54723286,NA,"PDBC15740","632942","Present",NA,NA
+"15741","2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-, ethyl ester, (Z)-",NA,"CCOC(=O)C=C(C)SC1=C(C2=CC=CC=C2C(=C1)O)O","ZWPCTBYNLWBREY-CSKARUKUSA-N",5358773,NA,"PDBC15741","278632","Present",NA,NA
+"15742","2-Butenoic acid, sodium salt, (Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cytembena",NA,"COC1=CC=C(C=C1)C(=O)C(=CC(=O)O)Br.[Na+]","DVDCIQWIGOVWEX-BORNJIKYSA-N",24190253,NA,"PDBC15742","104801","Present",NA,NA
+"15743","2-Butenoic acid,3-dibromo-4-[[(4-methylphenyl)sulfonyl]hydrazono]-, (Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenoic acid, 2,3-dibromo-4-[[(4-methylphenyl)sulfony...",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=CC(=C(C(=O)O)Br)Br","MWDQHNYDQHYRKE-CHPBBVCSSA-N",54607416,NA,"PDBC15743","295563","Present",NA,NA
+"15744","2-Butenoic acid,3-dichloro-4-[(4-methylphenyl)amino]-4-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenoic acid, 2,3-dichloro-4-[(4-methylphenyl)amino]-...",NA,"CC1=CC=C(C=C1)NC(=O)C(=C(C(=O)O)Cl)Cl","LYXYEAXSHFSVNI-HJWRWDBZSA-N",5387288,NA,"PDBC15744","622378","Present",NA,NA
+"15745","2-Butenoic acid,4-dicyano-, methyl ester, (Z,E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenoic acid, 4-[[(4-bromo-2-thienyl)methylene]amino]...",NA,"COC(=O)C=CC(C#N)(C#N)N=CC1=CC(=CS1)Br","JOZKWGGTNATEHW-MBMVNLLUSA-N",5470360,NA,"PDBC15745","700030","Present",NA,NA
+"15746","2-Butenoic acid,4-dicyano-4-[[(5-methyl-2-thienyl)methylene]amino]-, methyl ester, (Z,E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenoic acid, 4,4-dicyano-4-[[(5-methyl-2-thienyl)met...",NA,"CC1=CC=C(S1)C=NC(C=CC(=O)OC)(C#N)C#N","VUHLHMSUEKQQSW-LFEODQJXSA-N",5470359,NA,"PDBC15746","700029","Present",NA,NA
+"15747","2-Butenoic acid,5-dichloro-2-[[[[2-(1-pyrrolidinyl)cyclohexyl] (methyl)amino]carbonyl]methyl]phenyl]amino]-4-oxo-, methyl ester, (1S,2S)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenoic acid, 4-[[4,5-dichloro-2-[[[[2-(1-pyrrolidiny...",NA,"CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3NC(=O)C=CC(=O)OC)Cl)Cl","MGGNZLVJNLLKFH-FUCIWNSQSA-N",54611534,NA,"PDBC15747","707465","Present",NA,NA
+"15748","2-Butenyl(diphenyl)phosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(E)-but-2-enyl]-phenyl-phosphoryl]benzene",NA,"CC=CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2","WVFNPHQWJGLLMT-NSCUHMNNSA-N",357421,NA,"PDBC15748","616251","Present",NA,NA
+"15749","2-Butoxy-3a-(4-methoxyphenyl)-3,3a-dihydroisoxazolo[2,3-a]indol-4(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butoxy-3a-(4-methoxyphenyl)-3,3a-dihydroisoxazolo[2,3-a]indol-4(2H)-one",NA,"CCCCOC1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=C(C=C4)OC","NACNPPUWAADAGY-UHFFFAOYSA-N",371278,NA,"PDBC15749","645342","Present",NA,NA
+"15750","2-Butyl-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-butyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide",NA,"CCCCC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","ZEECSMOPEBPWFL-UHFFFAOYSA-N",137630537,NA,"PDBC15750","790460","Present",NA,NA
+"15751","2-Butyl-1-(morpholine-4-carbonyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butyl-1-(morpholine-4-carbonyl)-5,8-dioxaspiro[3.4]oct-1-en-3-one",NA,"CCCCC1=C(C2(C1=O)OCCO2)C(=O)N3CCOCC3","ITCULHQQCDRXIW-UHFFFAOYSA-N",394533,NA,"PDBC15751","698078","Present",NA,NA
+"15752","2-Butyl-1-nitro-2-cyclopropene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butyl-1-nitrocycloprop-2-ene-1-carbonitrile",NA,"CCCCC1=CC1(C#N)[N+](=O)[O-]","FQESXIMXYIVQQM-UHFFFAOYSA-N",378346,NA,"PDBC15752","660421","Present",NA,NA
+"15753","2-Butyl-5,5,6-trimethylbicyclo[2.2.1]heptan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butyl-5,5,6-trimethylbicyclo[2.2.1]heptan-2-ol",NA,"CCCCC1(CC2CC1C(C2(C)C)C)O","SMRFYWWGKRCKHO-UHFFFAOYSA-N",379929,NA,"PDBC15753","665121","Present",NA,NA
+"15754","2-Butyl-5-(4-(5-butyl-2-thienyl)-1,3-butadiynyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butyl-5-(4-(5-butyl-2-thienyl)-1,3-butadiynyl)thiophene",NA,"CCCCC1=CC=C(S1)C#CC#CC2=CC=C(S2)CCCC","YVSMURAIFQAOHJ-UHFFFAOYSA-N",395511,NA,"PDBC15754","700201","Present",NA,NA
+"15755","2-Butyl-5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-pyrrolo[3,4-c]pyrrole-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butyl-5-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-1,3-dimethyl-pyrrolo[3,4-c]pyrrole-4,6-dione",NA,"CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CCN3CCN(CC3)C4=CC=CC=C4Cl)C","FANSPMZRWBFNLV-UHFFFAOYSA-N",387905,NA,"PDBC15755","682137","Present",NA,NA
+"15756","2-Butyl-N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butyl-N,N'-bis[(E)-(5-nitrofuran-2-yl)methylideneamino]propanediamide",NA,"CCCCC(C(=O)NN=CC1=CC=C(O1)[N+](=O)[O-])C(=O)NN=CC2=CC=C(O2)[N+](=O)[O-]","PIUDTBWQMAVTBF-VNIJRHKQSA-N",9572561,NA,"PDBC15756","720240","Present",NA,NA
+"15757","2-Butyl-N,N'-bis[2-[[4-[hydroxy(methyl)amino]-4-oxo-butanoyl]amino]ethyl]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butyl-N,N'-bis[2-[[4-[hydroxy(methyl)amino]-4-oxo-butanoyl]amino]ethyl]propanediamide",NA,"CCCCC(C(=O)NCCNC(=O)CCC(=O)N(C)O)C(=O)NCCNC(=O)CCC(=O)N(C)O","FXXLBIJOWPXSQG-UHFFFAOYSA-N",396683,NA,"PDBC15757","703197","Present",NA,NA
+"15758","2-Butylamino-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]ethanol;hydrochloride",NA,"CCCCNCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl","BXAHWTDDPIRKLM-UHFFFAOYSA-N",24198829,NA,"PDBC15758","305791","Present",NA,NA
+"15759","2-Butylhydroquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC99300",NA,"CCCCC1=C(C=CC(=C1)O)O","XRCRJFOGPCJKPF-UHFFFAOYSA-N",77862,NA,"PDBC15759","99300","Present",NA,NA
+"15760","2-Butylsulfanyl-3-sulfanylideneisoindol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butylsulfanyl-3-sulfanylideneisoindol-1-one",NA,"CCCCSN1C(=O)C2=CC=CC=C2C1=S","OACMCAFZTABPMO-UHFFFAOYSA-N",359288,NA,"PDBC15760","620032","Present",NA,NA
+"15761","2-Butynethioic acid, S-[2-[(1-oxopropyl)amino]ethyl] ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butynethioic acid, S-[2-[(1-oxopropyl)amino]ethyl] ester",NA,"CCC(=O)NCCSC(=O)C#CC","DHWJTQYJYJDBFM-UHFFFAOYSA-N",296627,NA,"PDBC15761","166906","Present",NA,NA
+"15762","2-Carbamoyl-1-(2-diethylaminoethyl)-4-methyl-3,4-dihydro-2H-pyridine-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Carbamoyl-1-(2-diethylaminoethyl)-4-methyl-3,4-dihydro-2H-pyridine-3-carboxylic acid",NA,"CCN(CC)CCN1C=CC(C(C1C(=O)N)C(=O)O)C","MVSKQBPZWJAEOO-UHFFFAOYSA-N",392313,NA,"PDBC15762","692589","Present",NA,NA
+"15763","2-Carbamoylmethylthio-4-chloro-5-methyl-N-(5,2, 4-triazin-3-yl)benzene-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Carbamoylmethylthio-4-chloro-5-methyl-N-(5,6-diphenyl-...",NA,"CC1=CC(=C(C=C1Cl)SCC(=O)N)S(=O)(=O)NC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4","INWADYPHBQFPAY-UHFFFAOYSA-N",11785806,NA,"PDBC15763","728502","Present",NA,NA
+"15764","2-Carbethoxy-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylami no)-3-(4-dimethylamino-1-pyridinio)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carbethoxy-3-(4-chloro-5-methyl-2-sulfidophenylsulfony...",NA,"CCOC(=O)C(=C(NS(=O)(=O)C1=C(C=C(C(=C1)C)Cl)[S-])[N+]2=CC=C(C=C2)N(C)C)C#N","PINKWUFMNCPFPQ-UHFFFAOYSA-N",5472671,NA,"PDBC15764","720636","Present",NA,NA
+"15765","2-Carboxy-(2'-furyl)-3-trifluoromethylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carboxy-(2'-furyl)-3-trifluoromethylquinoxaline 1,4-di...",NA,"C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CO3)C(F)(F)F)[O-]","GEEDPTKNQZYVOW-UHFFFAOYSA-N",23635641,NA,"PDBC15765","728086","Present",NA,NA
+"15766","2-Carboxy-(2'-furyl)-7-chloro-3-trifluoromethylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carboxy-(2'-furyl)-7-chloro-3-trifluoromethylquinoxali...",NA,"C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)Cl)[O-])C(F)(F)F","JNACFPPEAPAHCP-UHFFFAOYSA-N",23635647,NA,"PDBC15766","728078","Present",NA,NA
+"15767","2-Carboxy-(2'-theonyl)-3-trifluoromethylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carboxy-(2'-theonyl)-3-trifluoromethylquinoxaline 1,4-...",NA,"C1=CC=C2C(=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CS3)C(F)(F)F)[O-]","QSROFRLTENTZLE-UHFFFAOYSA-N",23635413,NA,"PDBC15767","728082","Present",NA,NA
+"15768","2-Carboxy-(2'-theonyl)-6,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carboxy-(2'-theonyl)-6,7-dichloro-3-trifluoromethylqui...",NA,"C1=CSC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)Cl)Cl)[O-])C(F)(F)F","MKAGEBVRBXBJKL-UHFFFAOYSA-N",23635522,NA,"PDBC15768","728083","Present",NA,NA
+"15769","2-Carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido(1,2-a)benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Carboxy-4-ethoxycarbonyl-1-oxo-1H,5H-pyrido[1,2-a]bena...",NA,"CCOC(=O)C1=C2NC3=CC=CC=C3N2C(=O)C(=C1)C(=O)O","NRTCMFMOUDUEPB-UHFFFAOYSA-N",189915,NA,"PDBC15769","626922","Present",NA,NA
+"15770","2-Carboxy-N-hydroxy-3-(indol-3-YL)propanamide, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-CARBOXY-N-HYDROXY-3-(INDOL-3-YL)PROPANAMIDE, DISODIUM ...",NA,"C1=CC=C2C(=C1)C(=CN2)CC(C(=O)NO)C(=O)O.[Na+]","NSZKMXYLOHMBDT-UHFFFAOYSA-N",24180879,NA,"PDBC15770","2289","Present",NA,NA
+"15771","2-Carboxy-tert-butyl-6,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carboxy-tert-butyl-6,7-dimethyl-3-trifluoromethylquino...",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C(C)(C)C","DNXLODGLEDKKSJ-UHFFFAOYSA-N",24203460,NA,"PDBC15771","728079","Present",NA,NA
+"15772","2-Carboxyphenyl-6,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carboxyphenyl-6,7-difluoro-3-methylquinoxaline 1,4-dio...",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)C3=CC=CC=C3","RALRPYNIKWPWHZ-UHFFFAOYSA-N",24203458,NA,"PDBC15772","728075","Present",NA,NA
+"15773","2-Chloro-1,3-dinitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-dinitrochlorobenzene",NA,"C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]","BPPMIQPXQVIZNJ-UHFFFAOYSA-N",11814,NA,"PDBC15773","21276","Present",NA,NA
+"15774","2-Chloro-1,7-dimethyl-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1,7-dimethyl-phenothiazone",NA,"CC1=CC2=C(C=C1)N=C3C(=C(C(=O)C=C3S2)Cl)C","JZSMVJJMVBBMGS-UHFFFAOYSA-N",369394,NA,"PDBC15774","641158","Present",NA,NA
+"15775","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxy-1-naphthyl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxy-1-naphthyl)-3-azetidinone",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=C(C=CC4=CC=CC=C43)O","LUMJNYMUQYSHKS-UHFFFAOYSA-N",135409011,NA,"PDBC15775","653016","Present",NA,NA
+"15776","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxyphenyl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(2-hydroxyphenyl)-3-azetidinone",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=CC=C3O","NAEPIZSYQQJLHE-UHFFFAOYSA-N",135409001,NA,"PDBC15776","653006","Present",NA,NA
+"15777","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3,4,5-trimethoxyphenyl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3,4,5-trimethoxyphenyl)-3-azetidinone",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=C(C(=C3)OC)OC)OC","MJJGZYDLKPNHOD-UHFFFAOYSA-N",135409010,NA,"PDBC15777","653015","Present",NA,NA
+"15778","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-(hydroxy(oxido)amino)phenyl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[2-Chloro-4-(3-nitrophenyl)-3-oxoazetidin-1-yl]amino}-6-methylpyrimidin-4(1H)-one",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=CC=C3)[N+](=O)[O-]","HEBFSZRHHAHSIC-UHFFFAOYSA-N",135409005,NA,"PDBC15778","653010","Present",NA,NA
+"15779","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-hydroxyphenyl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(3-hydroxyphenyl)-3-azetidinone",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=CC=C3)O","GNCILFLYAWIQGW-UHFFFAOYSA-N",135409003,NA,"PDBC15779","653008","Present",NA,NA
+"15780","2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(4-hydroxyphenyl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-4-(4-hydroxyphenyl)-3-azetidinone",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=C(C=C3)O","ZOWILBISMAMGLH-UHFFFAOYSA-N",135409002,NA,"PDBC15780","653007","Present",NA,NA
+"15781","2-Chloro-1-(2,4-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-(2,4-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone",NA,"C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=C(C=C(C=C4)Cl)Cl)Cl","YDRUBTPXMIELJK-UHFFFAOYSA-N",374783,NA,"PDBC15781","653028","Present",NA,NA
+"15782","2-Chloro-1-(2,6-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-(2,6-dichlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone",NA,"C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=C(C=CC=C4Cl)Cl)Cl","QJCJCUBGQAJDCL-UHFFFAOYSA-N",374782,NA,"PDBC15782","653027","Present",NA,NA
+"15783","2-Chloro-1-(2-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-(2-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone",NA,"C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC=CC=C4Cl)Cl","WNMNYNDVFMOFER-UHFFFAOYSA-N",374773,NA,"PDBC15783","653018","Present",NA,NA
+"15784","2-Chloro-1-(3-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-(3-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone",NA,"C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC(=CC=C4)Cl)Cl","JQCSTERJERGTDG-UHFFFAOYSA-N",374774,NA,"PDBC15784","653019","Present",NA,NA
+"15785","2-Chloro-1-(4-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-(4-chlorophenyl)-4-(1H-indol-3-yl)-3-azetidinone",NA,"C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC=C(C=C4)Cl)Cl","RZQNZWGZUBUHQV-UHFFFAOYSA-N",374775,NA,"PDBC15785","653020","Present",NA,NA
+"15786","2-Chloro-1-(4-phenylpiperazin-1-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-019099",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)CCl","VHIWWIFXKVGUMK-UHFFFAOYSA-N",356999,NA,"PDBC15786","614568","Present",NA,NA
+"15787","2-Chloro-1-(benzenesulfonyl)piperidine-4-carboxilic acid biphenylamide.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-1-(benzenesulfonyl)piperidine-4-carboxilic acid...",NA,"C1CN(CCC1C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4Cl","NMWVTLQEYGTNGQ-UHFFFAOYSA-N",24204776,NA,"PDBC15787","732859","Present",NA,NA
+"15788","2-Chloro-1-[(4-hydroxy-6-methyl-pyrimidin-2-yl)amino]-4-(4-nitrophenyl)azetidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[2-Chloro-4-(4-nitrophenyl)-3-oxoazetidin-1-yl]amino}-6-methylpyrimidin-4(1H)-one",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=C(C=C3)[N+](=O)[O-]","LZCIRNHZRKIXBK-UHFFFAOYSA-N",135409004,NA,"PDBC15788","653009","Present",NA,NA
+"15789","2-Chloro-1-[2-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]piperidin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-[2-[2-(1h-indol-2-yl)-1,3-dioxolan-2-yl]-1-piperidyl]ethanone",NA,"C1CCN(C(C1)C2(OCCO2)C3=CC4=CC=CC=C4N3)C(=O)CCl","ZNHJMWXZCRMFGZ-UHFFFAOYSA-N",392271,NA,"PDBC15789","692411","Present",NA,NA
+"15790","2-Chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-[4-(2-chloroacetyl)-2,3-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone",NA,"CC1C(N(C2=CC=CC=C2N1C(=O)CCl)C(=O)CCl)C","FVCSHCORWAOAEB-UHFFFAOYSA-N",254760,NA,"PDBC15790","79304","Present",NA,NA
+"15791","2-Chloro-1-[4-(2-chloroacetyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-1-[4-(2-chloroacetyl)-6,7-dimethyl-2,3-dihydroquinoxalin-1-yl]ethanone",NA,"CC1=CC2=C(C=C1C)N(CCN2C(=O)CCl)C(=O)CCl","DJZBOSUPODEIAK-UHFFFAOYSA-N",254759,NA,"PDBC15791","79303","Present",NA,NA
+"15792","2-Chloro-1-[4-(4-chloro-1-cyclohexyl-2,5-dihydro-1 H-3-pyrrolylamino)phenylcarboxamido]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-1-[4-(4-chloro-1-cyclohexyl-2,5-dioxo-2,5-dihyd...",NA,"C1CCC(CC1)N2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl","WRPVJVKRDSRHBC-UHFFFAOYSA-N",1676327,NA,"PDBC15792","743227","Present",NA,NA
+"15793","2-Chloro-1-nitrosopyrido[3',5]pyrrolo[1,2-C]benzotriazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-CHLORO-1-NITROSOPYRIDO[3',2':4,5]PYRROLO[1,2-C]BENZOTR...",NA,"C1=CC2=C(N=C1)N3C(=C2N=O)C4=C(C=CC(=C4)Cl)N=N3","NKVYTVUJRIQSCI-UHFFFAOYSA-N",54613654,NA,"PDBC15793","747651","Present",NA,NA
+"15794","2-Chloro-10-(2-chloropropyl)phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-105344",NA,"CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)Cl","WMLOGBMMUXVWHK-UHFFFAOYSA-N",267542,NA,"PDBC15794","106886","Present",NA,NA
+"15795","2-Chloro-10-(3-pyrrolidin-1-ylpropyl)phenothiazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17471",NA,"C1CCN(C1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl","MSNUZRBYXHYCSY-UHFFFAOYSA-N",24182518,NA,"PDBC15795","17471","Present",NA,NA
+"15796","2-Chloro-10-[(1-ethyl-3-propylpyrrolidin-3-yl)methyl]phenothiazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-10-[(1-ethyl-3-propylpyrrolidin-3-yl)methyl]phenothiazine;hydrochloride",NA,"CCCC1(CCN(C1)CC)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl","CGYMWJRCWTWHCE-UHFFFAOYSA-N",24192657,NA,"PDBC15796","141897","Present",NA,NA
+"15797","2-Chloro-10-[[1-ethyl-3-(2-methoxyethyl)pyrrolidin-3-yl]methyl]phenothiazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-10-[[1-ethyl-3-(2-methoxyethyl)pyrrolidin-3-yl]methyl]phenothiazine;hydrochloride",NA,"CCN1CCC(C1)(CCOC)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.Cl","GJHFQQKQXNPVLX-UHFFFAOYSA-N",24192658,NA,"PDBC15797","141898","Present",NA,NA
+"15798","2-Chloro-13-methyl-11H-indolo[2,1-c][1,4]benzodiazepine-6,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Indeno[1,2-a][1,4]benzodiazepin-6,13-dione, 9-chloro-...",NA,"CC1=C2C(=O)NC3=CC=CC=C3C(=O)N2C4=C1C=C(C=C4)Cl","VIMSCURFJXUCGH-UHFFFAOYSA-N",372528,NA,"PDBC15798","647707","Present",NA,NA
+"15799","2-Chloro-2', tetrasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-2',3'-dideoxyadenosine-5'-triphosphate, tetraso...",NA,"C1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC3=C(N=C(N=C32)Cl)N.[Na+]","HXILWMXZXOVHEY-UHFFFAOYSA-N",54608644,NA,"PDBC15799","626558","Present",NA,NA
+"15800","2-Chloro-2',3'-dideoxyadenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-2',3'-dideoxyadenosine",NA,"C1CC(OC1CO)N2C=NC3=C(N=C(N=C32)Cl)N","FNLILOONPKMGST-UHFFFAOYSA-N",359064,NA,"PDBC15800","619531","Present",NA,NA
+"15801","2-Chloro-3-(1-(4-methyl)piperazino)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(1-(4-methyl)piperazino)naphthazarin",NA,"CN1CCN(CC1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl","QMGQSPDLYIXNEH-UHFFFAOYSA-N",378627,NA,"PDBC15801","661420","Present",NA,NA
+"15802","2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(1h-indazol-6-ylamino)naphthalene-1,4-dione",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC4=C(C=C3)C=NN4","NYOUWELKHWCYQM-UHFFFAOYSA-N",265940,NA,"PDBC15802","102742","Present",NA,NA
+"15803","2-Chloro-3-(2-butoxyethoxy)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(2-butoxyethoxy)naphthazarin",NA,"CCCCOCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl","KDIWHPWBVKZOQU-UHFFFAOYSA-N",135406263,NA,"PDBC15803","661415","Present",NA,NA
+"15804","2-Chloro-3-(2-chloroethoxy)-naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(2-chloroethoxy)-naphthazarin",NA,"C1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)Cl)OCCCl)O","FSOLLRBZCSCIBQ-UHFFFAOYSA-N",135409156,NA,"PDBC15804","660634","Present",NA,NA
+"15805","2-Chloro-3-(2-hydroxy-1,1-dimethyl-ethylamino)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(2-hydroxy-1,1-dimethyl-ethylamino)naphthazarin",NA,"CC(C)(CO)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","FTOXTWIPCFDJIH-UHFFFAOYSA-N",378904,NA,"PDBC15805","662375","Present",NA,NA
+"15806","2-Chloro-3-(2-hydroxyphenyl)-2-methyl-3-oxo-N-propylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenepropanamide, .alpha.-chloro-2-hydroxy-.alpha.-met...",NA,"CCCNC(=O)C(C)(C(=O)C1=CC=CC=C1O)Cl","YHTCXJBBBYKKDF-UHFFFAOYSA-N",362782,NA,"PDBC15806","627059","Present",NA,NA
+"15807","2-Chloro-3-(2-methoxyethoxy)-[1,4]naphthoquinone, 2-chloro-3-(2-methoxyethoxy)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(2-methoxyethoxy)-[1,4]naphthoquinone, 2-chlo...",NA,"COCCOC1=C(C(=O)C2=CC=CC=C2C1=O)Cl","DOERRIQXBBYUMX-UHFFFAOYSA-N",25113707,NA,"PDBC15807","752641","Present",NA,NA
+"15808","2-Chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(3,5-dimethylmorpholin-4-yl)naphthalene-1,4-dione",NA,"CC1COCC(N1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C","JGYJREAOLDRIGO-UHFFFAOYSA-N",267286,NA,"PDBC15808","106442","Present",NA,NA
+"15809","2-Chloro-3-(3-(N-morpholino)propylamino)-naphthazarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-3-(3-(N-morpholino)propylamino)-naphthazarine",NA,"C1COCCN1CCCNC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","GCLGFRWOGRFJNL-UHFFFAOYSA-N",379081,NA,"PDBC15809","663289","Present",NA,NA
+"15810","2-Chloro-3-(3-(dimethylamino)propylamino)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(3-(dimethylamino)propylamino)naphthazarin",NA,"CN(C)CCCNC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","FYAQQFSMCNGSDB-UHFFFAOYSA-N",378903,NA,"PDBC15810","662374","Present",NA,NA
+"15811","2-Chloro-3-(3-chloro-3-methylbutyl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(3-chloro-3-methylbutyl)naphthalene-1,4-dione",NA,"CC(C)(CCC1=C(C(=O)C2=CC=CC=C2C1=O)Cl)Cl","MVFPWJMGSMYFJF-UHFFFAOYSA-N",265521,NA,"PDBC15811","101643","Present",NA,NA
+"15812","2-Chloro-3-(3-chloro-propyloxy)-naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(3-chloro-propyloxy)-naphthazarin",NA,"C1=CC(=C2C(=C1O)C(=O)C(=C(C2=O)Cl)OCCCCl)O","PHWVXXRUQVIBQQ-UHFFFAOYSA-N",135409155,NA,"PDBC15812","660633","Present",NA,NA
+"15813","2-Chloro-3-(3-methylthioureidocarbonyl)-1H-indole-1-carboxylic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(3-methylthioureidocarbonyl)-1H-indole-1-carboxylic acid tert-butyl ester",NA,"CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C(=O)NC(=S)NC","XXDQBSXSJQCMIS-UHFFFAOYSA-N",5472899,NA,"PDBC15813","722436","Present",NA,NA
+"15814","2-Chloro-3-(N-(L)-tyrosinamido)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(N-(L)-tyrosinamido)naphthazarin",NA,"C1=CC(=CC=C1CC(C(=O)N)NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)O","LCOPGVLOUQXVDH-JTQLQIEISA-N",6712245,NA,"PDBC15814","662376","Present",NA,NA
+"15815","2-Chloro-3-(N-(L-2-ethylglycino))naphthazarin methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(N-(L-2-ethylglycino))naphthazarin methyl ester",NA,"CCC(C(=O)OC)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","UKCHYXFGECTWJD-LURJTMIESA-N",378766,NA,"PDBC15815","661936","Present",NA,NA
+"15816","2-Chloro-3-(N-(L-isoleucino))naphthazarin methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(N-(L-isoleucino))naphthazarin methyl ester",NA,"CCC(C)C(C(=O)OC)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","IGLQZBOWBWKHHF-URRWNQLISA-N",378773,NA,"PDBC15816","661943","Present",NA,NA
+"15817","2-Chloro-3-(N-L-alanino)naphthazarin p-nitrophenylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(N-L-alanino)naphthazarin p-nitrophenylamide",NA,"CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","BWWHZEWDBOVAHI-QMMMGPOBSA-N",6712248,NA,"PDBC15817","662380","Present",NA,NA
+"15818","2-Chloro-3-(N-L-leucino)naphthazarin methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(N-L-leucino)naphthazarin methyl ester",NA,"CC(C)CC(C(=O)OC)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","TUTKOPUIUYUNCI-QMMMGPOBSA-N",6712247,NA,"PDBC15818","662379","Present",NA,NA
+"15819","2-Chloro-3-(N-L-phenylalanino)naphthazarin benzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(N-L-phenylalanino)naphthazarin benzyl ester",NA,"C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC3=C(C4=C(C(=O)C=CC4=O)C(=C3Cl)O)O","MYMMJDIIMXOXGG-KRWDZBQOSA-N",6712246,NA,"PDBC15819","662378","Present",NA,NA
+"15820","2-Chloro-3-(N-L-serino)naphthazarin ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(N-L-serino)naphthazarin ethyl ester",NA,"CCOC(=O)C(CO)NC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O","JODOBRUJLKGHBT-LURJTMIESA-N",6712232,NA,"PDBC15820","661935","Present",NA,NA
+"15821","2-Chloro-3-(N-p-ethylamino-morpholino)-naphthazarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-3-(N-p-ethylamino-morpholino)-naphthazarine",NA,"C1COCCN1CCNC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","VIIJNUIHTSMPSC-UHFFFAOYSA-N",378900,NA,"PDBC15821","662371","Present",NA,NA
+"15822","2-Chloro-3-(N-p-hexyloxyanilino)-naphthazarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-3-(N-p-hexyloxyanilino)-naphthazarine",NA,"CCCCCCOC1=CC=C(C=C1)NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","LRMCAURFTVKTSA-UHFFFAOYSA-N",378901,NA,"PDBC15822","662372","Present",NA,NA
+"15823","2-Chloro-3-(N-p-pentyloxyanilino)-naphthazarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-3-(N-p-pentyloxyanilino)-naphthazarine",NA,"CCCCCOC1=CC=C(C=C1)NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","JMCBIIQBHUMLEV-UHFFFAOYSA-N",378902,NA,"PDBC15823","662373","Present",NA,NA
+"15824","2-Chloro-3-(N-tyramino)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(N-tyramino)naphthazarin",NA,"C1=CC(=CC=C1CCNC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)O","DUXQWEMNZNEVPY-UHFFFAOYSA-N",378767,NA,"PDBC15824","661937","Present",NA,NA
+"15825","2-Chloro-3-(phenylsulfonyl)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanenitrile, 2-chloro-3-(phenylsulfonyl)-",NA,"C1=CC=C(C=C1)S(=O)(=O)CC(C#N)Cl","IWXBVRBZXCRQEB-UHFFFAOYSA-N",121458,NA,"PDBC15825","620129","Present",NA,NA
+"15826","2-Chloro-3-(pyridin-2-ylamino)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-(pyridin-2-ylamino)naphthalene-1,4-dione",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=CC=N3","KOFBPJOIBUBKJD-UHFFFAOYSA-N",237104,NA,"PDBC15826","40344","Present",NA,NA
+"15827","2-Chloro-3-N-(2'-(R)-hydroxymethylpyrrolidino)-naphthazarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-3-N-(2'-(R)-hydroxymethylpyrrolidino)-naphthaza...",NA,"C1CC(N(C1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)CO","DMBYJEAVLQOFFL-SSDOTTSWSA-N",379082,NA,"PDBC15827","663290","Present",NA,NA
+"15828","2-Chloro-3-N-(2'-(S)-hydroxymethylpyrrolidino)-naphthazarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-3-N-(2'-(S)-hydroxymethylpyrrolidino)-naphthaza...",NA,"C1CC(N(C1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)CO","DMBYJEAVLQOFFL-ZETCQYMHSA-N",379083,NA,"PDBC15828","663291","Present",NA,NA
+"15829","2-Chloro-3-N-(5-aminosalicylic acid)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-N-(5-aminosalicylic acid)naphthazarin",NA,"C1=CC(=C(C=C1NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)C(=O)O)O","MKYOABFPMOXHHX-UHFFFAOYSA-N",378906,NA,"PDBC15829","662377","Present",NA,NA
+"15830","2-Chloro-3-[(2E)-2-[(4E)-4-[(3-chloro-1,4-dioxonaphthalen-2-yl)hydrazinylidene]-2,3-dihydrophthalazin-1-ylidene]hydrazinyl]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-[(2E)-2-[(4E)-4-[(3-chloro-1,4-dioxonaphthalen-2-yl)hydrazinylidene]-2,3-dihydrophthalazin-1-ylidene]hydrazinyl]naphthalene-1,4-dione",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NN=C3C4=CC=CC=C4C(=NNC5=C(C(=O)C6=CC=CC=C6C5=O)Cl)NN3","CLYVTIMBEHOZSW-UHFFFAOYSA-N",135509607,NA,"PDBC15830","106445","Present",NA,NA
+"15831","2-Chloro-3-[1-(4-(2-pyrimidyl)piperazine)]-naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-[1-(4-(2-pyrimidyl)piperazine)]-naphthazarin",NA,"C1CN(CCN1C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)C4=NC=CC=N4","XMTDCGSGUAIZAZ-UHFFFAOYSA-N",438704,NA,"PDBC15831","659647","Present",NA,NA
+"15832","2-Chloro-3-[1-(4-(4'-acetophenone)piperazino)]-naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-[1-(4-(4'-acetophenone)piperazino)]- naphthaz...",NA,"CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(C4=C(C(=O)C=CC4=O)C(=C3Cl)O)O","MDCOKMVQZVKCDW-UHFFFAOYSA-N",378361,NA,"PDBC15832","660635","Present",NA,NA
+"15833","2-Chloro-3-[2-(2-butoxyethoxy)ethoxy]-naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-[2-(2-butoxyethoxy)ethoxy]-naphthazarin",NA,"CCCCOCCOCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl","GTCKHPLZKRTXDG-UHFFFAOYSA-N",135409154,NA,"PDBC15833","660632","Present",NA,NA
+"15834","2-Chloro-3-[2-(2-heptadecyl-4,5-dihydro-1h-imidazol-1-yl)ethoxy]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-[2-(2-heptadecyl-4,5-dihydro-1h-imidazol-1-yl)ethoxy]naphthalene-1,4-dione",NA,"CCCCCCCCCCCCCCCCCC1=NCCN1CCOC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","FCCWDQTVKKSMNN-UHFFFAOYSA-N",237491,NA,"PDBC15834","41099","Present",NA,NA
+"15835","2-Chloro-3-[3-(propan-2-ylamino)propylamino]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-{[3-(propan-2-ylamino)propyl]amino}naphthalene-1,4-dione",NA,"CC(C)NCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl","WOSOYAXCYXWQSQ-UHFFFAOYSA-N",236655,NA,"PDBC15835","39351","Present",NA,NA
+"15836","2-Chloro-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]-5,8-dimethoxynaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}-5,8-dimethoxynaphthalene-1,4-dione",NA,"COC1=C2C(=C(C=C1)OC)C(=O)C(=C(C2=O)N3CCN(CC3)CCOCCO)Cl","RAFVCDVLMOUGKS-UHFFFAOYSA-N",377430,NA,"PDBC15836","658873","Present",NA,NA
+"15837","2-Chloro-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride",NA,"C1CN(CCN1CCOCCO)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl.Cl","OIXIJBDUQBAVJZ-UHFFFAOYSA-N",375898,NA,"PDBC15837","656210","Present",NA,NA
+"15838","2-Chloro-3-[p-(trifluoromethoxy)-anilino]-naphthazarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-[p-(trifluoromethoxy)-anilino]-naphthazarine",NA,"C1=CC(=CC=C1NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O)OC(F)(F)F","PLDGDPROWRTERV-UHFFFAOYSA-N",383053,NA,"PDBC15838","671097","Present",NA,NA
+"15839","2-Chloro-3-amino-5,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-amino-5,8-dihydoxy-1,4-naphthoquinone",NA,"C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)N)O","WHZXUVWXVVCMIW-UHFFFAOYSA-N",377211,NA,"PDBC15839","658443","Present",NA,NA
+"15840","2-Chloro-3-hydroxy-naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-hydroxy-naphthazarin",NA,"C1=CC(=C2C(=C1O)C(=C(C(=O)C2=O)Cl)O)O","GLDJRWVGFBYLND-UHFFFAOYSA-N",135409157,NA,"PDBC15840","660639","Present",NA,NA
+"15841","2-Chloro-3-hydroxybenzo[b]naphtho[2,3-d]furan-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[b]naphtho[2,3-d]furan-6,11-dione, 4-chloro-3-hydroxy",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=CC(=C(C=C43)Cl)O","MELMDXKYKAAXAZ-UHFFFAOYSA-N",371025,NA,"PDBC15841","644902","Present",NA,NA
+"15842","2-Chloro-3-methyl-8-phenyl-7-oxo-7,8-dihydro-5,9-dithia-6-aza-6H-benzocycloheptene 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-8-methyl-4-phenyl-2h-1,5,2-benzodithiazepin-3(4h)-one 1,1-dioxide",NA,"CC1=CC2=C(C=C1Cl)SC(C(=O)NS2(=O)=O)C3=CC=CC=C3","GLNLCEMMUGOFJC-UHFFFAOYSA-N",400679,NA,"PDBC15842","713034","Present",NA,NA
+"15843","2-Chloro-3-morpholino-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK864557",NA,"C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","KRGINZFLXQKIQZ-UHFFFAOYSA-N",236652,NA,"PDBC15843","39347","Present",NA,NA
+"15844","2-Chloro-3-phenanthro[9,10-e][1,2,4]triazin-3-ylsulfanylnaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-3-(phenanthro[9,10-e][1,2,4]triazin  3-ylthio)n...",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2N=C(N=N4)SC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","LTXPJUHAUKZMOA-UHFFFAOYSA-N",332061,NA,"PDBC15844","327705","Present",NA,NA
+"15845","2-Chloro-3-phenoxy-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-CHLORO-3-PHENOXY-1,4-NAPHTHOQUINONE",NA,"C1=CC=C(C=C1)OC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","QPTXRNYONDDBEL-UHFFFAOYSA-N",219799,NA,"PDBC15845","1507","Present",NA,NA
+"15846","2-Chloro-3-phenyl-5-(trichloromethyl)pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-3-phenyl-5-(trichloromethyl)pyrazine",NA,"C1=CC=C(C=C1)C2=NC(=CN=C2Cl)C(Cl)(Cl)Cl","XZXCEDQKRAVPCL-UHFFFAOYSA-N",402191,NA,"PDBC15846","716058","Present",NA,NA
+"15847","2-Chloro-4,6-bis((dimethylamino)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4,6-bis((dimethylamino)methyl)phenol",NA,"CN(C)CC1=CC(=C(C(=C1)Cl)O)CN(C)C","XITXAAZUAPOOOW-UHFFFAOYSA-N",236579,NA,"PDBC15847","39187","Present",NA,NA
+"15848","2-Chloro-4-(1H-indol-3-yl)-1-(2-methoxyphenyl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(1H-indol-3-yl)-1-(2-methoxyphenyl)-3-azetidinone",NA,"COC1=CC=CC=C1N2C(C(=O)C2Cl)C3=CNC4=CC=CC=C43","XRJPTXAXTKITJS-UHFFFAOYSA-N",374776,NA,"PDBC15848","653021","Present",NA,NA
+"15849","2-Chloro-4-(1H-indol-3-yl)-1-(2-nitrophenyl)azetidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(1H-indol-3-yl)-1-(2-nitrophenyl)azetidin-3-one",NA,"C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC=CC=C4[N+](=O)[O-])Cl","FOGCFESHGCMFAM-UHFFFAOYSA-N",374779,NA,"PDBC15849","653024","Present",NA,NA
+"15850","2-Chloro-4-(1H-indol-3-yl)-1-(3-methoxyphenyl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(1H-indol-3-yl)-1-(3-methoxyphenyl)-3-azetidinone",NA,"COC1=CC=CC(=C1)N2C(C(=O)C2Cl)C3=CNC4=CC=CC=C43","CDBNCKGMNLGJJQ-UHFFFAOYSA-N",374777,NA,"PDBC15850","653022","Present",NA,NA
+"15851","2-Chloro-4-(1H-indol-3-yl)-1-(3-nitrophenyl)azetidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(1H-indol-3-yl)-1-(3-nitrophenyl)azetidin-3-one",NA,"C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC(=CC=C4)[N+](=O)[O-])Cl","PCQRBGZKNNBCAY-UHFFFAOYSA-N",374780,NA,"PDBC15851","653025","Present",NA,NA
+"15852","2-Chloro-4-(1H-indol-3-yl)-1-(4-methoxyphenyl)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(1H-indol-3-yl)-1-(4-methoxyphenyl)-3-azetidinone",NA,"COC1=CC=C(C=C1)N2C(C(=O)C2Cl)C3=CNC4=CC=CC=C43","LJUXUWDXIRPKNI-UHFFFAOYSA-N",374778,NA,"PDBC15852","653023","Present",NA,NA
+"15853","2-Chloro-4-(1H-indol-3-yl)-1-(4-nitrophenyl)azetidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(1H-indol-3-yl)-1-(4-nitrophenyl)azetidin-3-one",NA,"C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC=C(C=C4)[N+](=O)[O-])Cl","PYJHBQWXRZSGTI-UHFFFAOYSA-N",374781,NA,"PDBC15853","653026","Present",NA,NA
+"15854","2-Chloro-4-(1H-indol-3-yl)-1-phenyl-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(1H-indol-3-yl)-1-phenyl-3-azetidinone",NA,"C1=CC=C(C=C1)N2C(C(=O)C2Cl)C3=CNC4=CC=CC=C43","VXADAIHYNVMDPU-UHFFFAOYSA-N",374772,NA,"PDBC15854","653017","Present",NA,NA
+"15855","2-Chloro-4-(2-furyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(2-furyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=CO3","PRHJRFDYVPGIPI-UHFFFAOYSA-N",135409009,NA,"PDBC15855","653014","Present",NA,NA
+"15856","2-Chloro-4-(2-pyridinylmethyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(2-pyridinylmethyl)benzonitrile",NA,"C1=CC=NC(=C1)CC2=CC(=C(C=C2)C#N)Cl","MEVAIDYHWNVZCB-UHFFFAOYSA-N",366236,NA,"PDBC15856","634572","Present",NA,NA
+"15857","2-Chloro-4-(3,4-dimethoxyphenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(3,4-dimethoxyphenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=C(C=C3)OC)OC","RGBJJLZMTVPYKT-UHFFFAOYSA-N",135409008,NA,"PDBC15857","653013","Present",NA,NA
+"15858","2-Chloro-4-(3-chlorophenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(3-chlorophenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC(=CC=C3)Cl","WELQOSZRBQEHGS-UHFFFAOYSA-N",135409007,NA,"PDBC15858","653012","Present",NA,NA
+"15859","2-Chloro-4-(4-chlorophenyl)-1-((4-hydroxy-6-methyl-2-pyrimidinyl)amino)-3-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azetidinone, 2-chloro-1-[(6-hydroxy-4-methyl- 2-pyrimi...",NA,"CC1=CC(=O)NC(=N1)NN2C(C(=O)C2Cl)C3=CC=C(C=C3)Cl","UKZGBTCOHPEUIE-UHFFFAOYSA-N",135409006,NA,"PDBC15859","653011","Present",NA,NA
+"15860","2-Chloro-4-(4-nitrophenyl)-3,5]imidazo[1,2-a]pyrimidine-3-carboxaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(4-nitrophenyl)-3,4-dihydro-benzo[4,5]imidazo...",NA,"C1=CC=C2C(=C1)N=C3N2C(C(C(=N3)Cl)C=O)C4=CC=C(C=C4)[N+](=O)[O-]","IIHHDYRUNUHMBF-UHFFFAOYSA-N",405436,NA,"PDBC15860","722743","Present",NA,NA
+"15861","2-Chloro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(5-fluoro-1,3-benzothiazol-2-yl)aniline",NA,"C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)Cl)N","HBAAHNZQWSCZBY-UHFFFAOYSA-N",399250,NA,"PDBC15861","709927","Present",NA,NA
+"15862","2-Chloro-4-(6-fluoro-1,3-benzothiazol-2-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(6-fluoro-1,3-benzothiazol-2-yl)aniline",NA,"C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)F)Cl)N","DUUPIQIOPHJTOM-UHFFFAOYSA-N",396351,NA,"PDBC15862","702155","Present",NA,NA
+"15863","2-Chloro-4-(dipropylamino)benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757910",NA,"CCCN(CCC)C1=CC(=C(C=C1)C=O)Cl","LERZQALBZSGDTH-UHFFFAOYSA-N",108292902,NA,"PDBC15863","757910","Present",NA,NA
+"15864","2-Chloro-4-(methylthio)-5-((2-oxo-2,3-dihydro-1H-imidazol-1-yl)sulfonyl)-N-phenylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-(methylthio)-5-((2-oxo-2,3-dihydro-1H-imidazol-1-yl)sulfonyl)-N-phenylbenzamide",NA,"CSC1=C(C=C(C(=C1)Cl)C(=O)NC2=CC=CC=C2)S(=O)(=O)N3C=CNC3=O","KFZUZNQKWCGRSL-UHFFFAOYSA-N",387413,NA,"PDBC15864","681161","Present",NA,NA
+"15865","2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]methyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C","MLGKZNKZCKWMGK-UHFFFAOYSA-N",279748,NA,"PDBC15865","131020","Present",NA,NA
+"15866","2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CNC(=O)NC3=CC(=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C","CASQZRYYMJAFEO-UHFFFAOYSA-N",276179,NA,"PDBC15866","123465","Present",NA,NA
+"15867","2-Chloro-4-[[5-chloro-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-4-[(4-methylphenyl)carbamoyl]phenyl]disulfanyl]-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-N-(4-methylphenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[5-chloro-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-4-[(4-methylphenyl)carbamoyl]phenyl]disulfanyl]-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-N-(4-methylphenyl)benzamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=C(C=C4)C)S(=O)(=O)NC5=NC6=C(N5)C=CC=N6)S(=O)(=O)NC7=NC8=C(N7)C=CC=N8","AIQNPBYJKYSKMY-UHFFFAOYSA-N",397062,NA,"PDBC15867","704344","Present",NA,NA
+"15868","2-Chloro-4-[[5-chloro-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]-N-phenylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[5-chloro-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]-N-phenylbenzamide",NA,"C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=CC=C4)S(=O)(=O)NC5=NNC(=O)N5)S(=O)(=O)NC6=NNC(=O)N6","MUQOFKVTKTXBAL-UHFFFAOYSA-N",135489819,NA,"PDBC15868","681171","Present",NA,NA
+"15869","2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)phenyl]disulfanyl]-N-(4-chlorophenyl)-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)phenyl]disulfanyl]-N-(4-chlorophenyl)-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)benzamide",NA,"C1=CC2=C(N=C1)N=C(N2)NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl)SSC5=C(C=C(C(=C5)Cl)C(=O)NC6=CC=C(C=C6)Cl)S(=O)(=O)NC7=NC8=C(N7)C=CC=N8","AQKVAUVEIYEQLE-UHFFFAOYSA-N",397061,NA,"PDBC15869","704343","Present",NA,NA
+"15870","2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamid",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=C(C=C4)Cl)S(=O)(=O)NC5=NNC(=O)N5)S(=O)(=O)NC6=NNC(=O)N6)Cl","XYSNHNCTFFXVAU-UHFFFAOYSA-N",135406742,NA,"PDBC15870","681172","Present",NA,NA
+"15871","2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-yl]sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[[5-(naphthalen-2-ylamino)-1H-1,2,4-triazol-3-y",NA,"C1=CC=C2C=C(C=CC2=C1)NC3=NC(=NN3)NS(=O)(=O)C4=C(C=C(C(=C4)C(=O)NC5=CC=C(C=C5)Cl)Cl)SSC6=C(C=C(C(=C6)Cl)C(=O)NC7=CC=C(C=C7)Cl)S(=O)(=O)NC8=NNC(=N8)NC9=CC1=CC=CC=C1C=C9","ZOUSHUMEZOABDB-UHFFFAOYSA-N",16129908,NA,"PDBC15871","674019","Present",NA,NA
+"15872","2-Chloro-4-[[5-chloro-4-[(4-methylphenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-methylphenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[5-chloro-4-[(4-methylphenyl)carbamoyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-methylphenyl)-5-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfamoyl]benzamid",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=C(C=C4)C)S(=O)(=O)NC5=NNC(=O)N5)S(=O)(=O)NC6=NNC(=O)N6","FRDWEFAPQBAWTA-UHFFFAOYSA-N",135489820,NA,"PDBC15872","681173","Present",NA,NA
+"15873","2-Chloro-4-mercapto-5-(((6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)amino)sulfonyl)-N-phenylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5-[(6-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-N-phenyl-4-sulfanylbenzamide",NA,"CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)S","SDBSNALROIGUQP-UHFFFAOYSA-N",397048,NA,"PDBC15873","704330","Present",NA,NA
+"15874","2-Chloro-4-mercapto-5-((2-oxo-1-imidazolidinyl)sulfonyl)-N-phenylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-mercapto-5-((2-oxo-1-imidazolidinyl)sulfonyl)-N-phenylbenzamide",NA,"C1CN(C(=O)N1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)S","FDLBONAJAJGTIG-UHFFFAOYSA-N",387421,NA,"PDBC15874","681170","Present",NA,NA
+"15875","2-Chloro-4-mercapto-5-((2-oxo-2,3-dihydro-1H-imidazol-1-yl)sulfonyl)-N-phenylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-mercapto-5-((2-oxo-2,3-dihydro-1H-imidazol-1-yl)sulfonyl)-N-phenylbenzamide",NA,"C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3C=CNC3=O","FLKZRDDLBOWKIK-UHFFFAOYSA-N",387405,NA,"PDBC15875","681155","Present",NA,NA
+"15876","2-Chloro-4-mercapto-5-(N-(5-oxo-4-phenyl-4,2,4-triazol-3-yl)sulfamoyl)-N-phenylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-4-mercapto-5-(N-(5-oxo-4-phenyl-4,5-dihydro-1H-...",NA,"C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)NC3=NNC(=O)N3C4=CC=CC=C4","NLDHJLZAINITBF-UHFFFAOYSA-N",393931,NA,"PDBC15876","696903","Present",NA,NA
+"15877","2-Chloro-4-mercapto-5-[({3-[(4-methylphenyl)amino]-1H-1,2,4-triazol-5-yl}amino)sulfonyl]phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5-({5-[(4-methylphenyl)amino]-1h-1,2,4-triazol-3-yl}sulfamoyl)-4-sulfanylphenyl acetate",NA,"CC1=CC=C(C=C1)NC2=NC(=NN2)NS(=O)(=O)C3=C(C=C(C(=C3)OC(=O)C)Cl)S","QDGCHIVLMLBEDK-UHFFFAOYSA-N",380935,NA,"PDBC15877","666721","Present",NA,NA
+"15878","2-Chloro-4-mercapto-N-(4-methylphenyl)-5-(((5-oxo-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)amino)sulfonyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(4-methylphenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)NC3=NNC(=O)N3C4=CC=CC=C4","GNCMCPFARICNLV-UHFFFAOYSA-N",393932,NA,"PDBC15878","696904","Present",NA,NA
+"15879","2-Chloro-4-phenyl-3,5]imidazo[1,2-a]pyrimidin-3-car boxaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-phenyl-3,4-benz[4,5]imidazo[1,2-a]pyrimidin-3...",NA,"C1=CC=C(C=C1)C2C(C(=NC3=NC4=CC=CC=C4N23)Cl)C=O","FXYISUXJBAKDBA-UHFFFAOYSA-N",405424,NA,"PDBC15879","722731","Present",NA,NA
+"15880","2-Chloro-5,6-dimethoxy-3-octylsulfanylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Cyclohexadiene-1,4-dione, 2-chloro-5,6-dimethoxy-3-(...",NA,"CCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl","QVLRYWZYUQDULC-UHFFFAOYSA-N",318118,NA,"PDBC15880","252188","Present",NA,NA
+"15881","2-Chloro-5,7-dimethyl[1,8]naphthyridin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5,7-dimethyl[1,8]naphthyridin-3-amine",NA,"CC1=CC(=NC2=NC(=C(C=C12)N)Cl)C","YJMNVBGDJPYKLK-UHFFFAOYSA-N",387105,NA,"PDBC15881","680496","Present",NA,NA
+"15882","2-Chloro-5,8-dihydroxy-3-(4-nitrophenoxy)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5,8-dihydroxy-3-(4-nitrophenoxy)naphthalene-1,4-dione",NA,"C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C(=O)C3=C(C=CC(=C3C2=O)O)O)Cl","KZBALAGUHIMFIP-UHFFFAOYSA-N",135409136,NA,"PDBC15882","658872","Present",NA,NA
+"15883","2-Chloro-5,8-dihydroxy-3-[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5,8-dihydroxy-7-[2-(2-methoxyethoxy)ethoxy]naphthalene-1,4-dione",NA,"COCCOCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl","AQYHWKDZKIMLCP-UHFFFAOYSA-N",135409148,NA,"PDBC15883","659998","Present",NA,NA
+"15884","2-Chloro-5-(diethylamino)-7-isopropyl-8,8-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5-(diethylamino)-7-isopropyl-8,8-dimethylbicyclo[4.2.0]octa-1,3,5-trien-7-ol",NA,"CCN(CC)C1=C2C(=C(C=C1)Cl)C(C2(C(C)C)O)(C)C","DEDQQTKWKPNEQX-UHFFFAOYSA-N",375520,NA,"PDBC15884","655299","Present",NA,NA
+"15885","2-Chloro-5-(methylsulfonyl)imidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5-(methylsulfonyl)imidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-4-amine",NA,"CS(=O)(=O)C1=C(C2=NC(=CN2C3=NC4=CC=CC=C4N=C13)Cl)N","KUZVOCBEJPWYCB-UHFFFAOYSA-N",372779,NA,"PDBC15885","648403","Present",NA,NA
+"15886","2-Chloro-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-N-phenyl-4-sulfanylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-N-phenyl-4-sulfanylbenzamide",NA,"C1CN(C(=O)NN1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=CC=C3)Cl)S","WKGXCHCQCUECAQ-UHFFFAOYSA-N",393928,NA,"PDBC15886","696900","Present",NA,NA
+"15887","2-Chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonyl fluoride, 2-chloro-5-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]butyl]-, monoethanesulfonate (9CI)",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C","LOHXMZMTXDOGRC-UHFFFAOYSA-N",278692,NA,"PDBC15887","128571","Present",NA,NA
+"15888","2-Chloro-5-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 2-chloro-5-[4-[m-(4,6-d...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=C(C=C3)Cl)S(=O)(=O)F)N)N)C","FSPCDJMMRJMTRK-UHFFFAOYSA-N",279319,NA,"PDBC15888","129794","Present",NA,NA
+"15889","2-Chloro-5-hydroxy-3-(4-nitrophenyl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5-hydroxy-3-(4-nitrophenyl)naphthalene-1,4-dione",NA,"C1=CC2=C(C(=C1)O)C(=O)C(=C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-]","XKJOEJRULSVHRA-UHFFFAOYSA-N",375828,NA,"PDBC15889","656076","Present",NA,NA
+"15890","2-Chloro-5-methyl-8-phenylphenazin-5-ium;methyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5-methyl-8-phenylphenazin-5-ium;methyl sulfate",NA,"C[N+]1=C2C=CC(=CC2=NC3=C1C=CC(=C3)C4=CC=CC=C4)Cl.COS(=O)(=O)[O-]","BAXZCEWTXBTBBK-UHFFFAOYSA-M",24184082,NA,"PDBC15890","32924","Present",NA,NA
+"15891","2-Chloro-5-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5-nitro-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide",NA,"C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","MHYATUJYHPTEHY-UHFFFAOYSA-N",395237,NA,"PDBC15891","699712","Present",NA,NA
+"15892","2-Chloro-5H-pyrido[2',3]imidazo[4,5-b]indole hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole hydroc...",NA,"C1=CC2=NC3=C(N2C=C1)NC4=C3C=CC(=C4)Cl.Cl","YPQLKUPMSLRIBI-UHFFFAOYSA-N",370273,NA,"PDBC15892","643051","Present",NA,NA
+"15893","2-Chloro-6,7,8-trioxabicyclo[3.2.1]octane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-6,7,8-trioxabicyclo[3.2.1]octane",NA,"C1CC2OC(C1Cl)OO2","LJWKDPIGKXRIIL-UHFFFAOYSA-N",360980,NA,"PDBC15893","623711","Present",NA,NA
+"15894","2-Chloro-6-((2-chloro-4-methyl-6-quinolinyl)methyl)-4-methylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-6-((2-chloro-4-methyl-6-quinolinyl)methyl)-4-methylquinoline",NA,"CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)Cl)Cl","RVHRUJSUMLKIHE-UHFFFAOYSA-N",268954,NA,"PDBC15894","109451","Present",NA,NA
+"15895","2-Chloro-6-(4-chloro-phenyl)-[1,4]benzoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-CHLORO-6-(4-CHLOROPHENYL)-2,5-CYCLOHEXADIENE-1,4-DIONE",NA,"C1=CC(=CC=C1C2=CC(=O)C=C(C2=O)Cl)Cl","MNGDMRAWWJWYRE-UHFFFAOYSA-N",317884,NA,"PDBC15895","251757","Present",NA,NA
+"15896","2-Chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate",NA,"CN(C)C(=O)OC1=C(SC2=C(C=C(C=C2)Cl)N3C1=CC=C3)C4=CC=C(C=C4)OC","SUNNFQKSCNVWJN-UHFFFAOYSA-N",378549,NA,"PDBC15896","661184","Present",NA,NA
+"15897","2-Chloro-6-methoxy-4-methyl-7-propyl-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Quinolinedione, 2-chloro-6-methoxy-4-methyl-7-propyl-",NA,"CCCC1=C(C(=O)C2=C(C1=O)N=C(C=C2C)Cl)OC","DIIFPMMVAZCIQO-UHFFFAOYSA-N",389064,NA,"PDBC15897","684703","Present",NA,NA
+"15898","2-Chloro-6-methoxyquinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-6-methoxyquinoline-5,8-dione",NA,"COC1=CC(=O)C2=C(C1=O)C=CC(=N2)Cl","FJEPCSBUTWZVLD-UHFFFAOYSA-N",341543,NA,"PDBC15898","373911","Present",NA,NA
+"15899","2-Chloro-6-phenyl-7-propionyloxypyrrolo[2,1-d][1,5]benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl propanoate",NA,"CCC(=O)OC1=C(SC2=C(C=C(C=C2)Cl)N3C1=CC=C3)C4=CC=CC=C4","HPYGBCKXJJJWJD-UHFFFAOYSA-N",378547,NA,"PDBC15899","661182","Present",NA,NA
+"15900","2-Chloro-6h-benzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-6h-benzo[c]chromen-6-one",NA,"C1=CC=C2C(=C1)C3=C(C=CC(=C3)Cl)OC2=O","GJAVHARCAVPCTI-UHFFFAOYSA-N",263573,NA,"PDBC15900","98099","Present",NA,NA
+"15901","2-Chloro-7-(5-piperidin-1-ylpentoxy)xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799214",NA,"C1CCN(CC1)CCCCCOC2=CC3=C(C=C2)OC4=C(C3=O)C=C(C=C4)Cl","AQIRLJIMBMOXCB-UHFFFAOYSA-N",155817149,NA,"PDBC15901","799214","Present",NA,NA
+"15902","2-Chloro-8,9-dimethoxy-4H-benzo[ij][2,7]naphthyridine-4,5(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-10,11-dimethoxy-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-3,4-dione",NA,"COC1=C(C2=C3C(=CC(=N2)Cl)C(=O)C(=O)NC3=C1)OC","VNFCKJRPRZYROZ-UHFFFAOYSA-N",397794,NA,"PDBC15902","706232","Present",NA,NA
+"15903","2-Chloro-8-hydroxy-6-methoxynaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-67246",NA,"COC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)Cl","CEQWFJADWPVYTH-UHFFFAOYSA-N",363042,NA,"PDBC15903","627586","Present",NA,NA
+"15904","2-Chloro-9,10-diphenyl-9,10-dihydroacridin-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-9,10-diphenyl-acridin-9-ol",NA,"C1=CC=C(C=C1)C2(C3=CC=CC=C3N(C4=C2C=C(C=C4)Cl)C5=CC=CC=C5)O","OSBOCAQJGKHPPR-UHFFFAOYSA-N",232879,NA,"PDBC15904","30846","Present",NA,NA
+"15905","2-Chloro-9-(3,3-dimethyl-9-methylsulfonyloxy-2,4,7-trioxabicyclo[4.3.0]non-8-yl)purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-9-(3,3-dimethyl-9-methylsulfonyloxy-2,4,7-trioxabicyclo[4.3.0]non-8-yl)purin-6-amine",NA,"CC1(OCC2C(O1)C(C(O2)N3C=NC4=C(N=C(N=C43)Cl)N)OS(=O)(=O)C)C","QRELBCVFRNDZJZ-UHFFFAOYSA-N",260013,NA,"PDBC15905","90841","Present",NA,NA
+"15906","2-Chloro-N'-(2-hydroxybenzoyl)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N'-(2-hydroxybenzoyl)benzohydrazide",NA,"C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2Cl)O","VUZIQAHFWOSLGQ-UHFFFAOYSA-N",393338,NA,"PDBC15906","695046","Present",NA,NA
+"15907","2-Chloro-N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N'-(7-chloro-2H-1,4-benzothiazin-3-yl)acetohydrazide",NA,"C1C(=NC2=C(S1)C=C(C=C2)Cl)NNC(=O)CCl","WUZDANVJQDAKKX-UHFFFAOYSA-N",358193,NA,"PDBC15907","618070","Present",NA,NA
+"15908","2-Chloro-N,N-dimethyl-2,2-diphenylethanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N,N-dimethyl-2,2-diphenylethanethioamide",NA,"CN(C)C(=S)C(C1=CC=CC=C1)(C2=CC=CC=C2)Cl","UCRJMTXNWOEOIQ-UHFFFAOYSA-N",399236,NA,"PDBC15908","709909","Present",NA,NA
+"15909","2-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline",NA,"CC1=CC2=C(C=C1)N=C(C=C2C)C=NC3=CC=CC=C3Cl","DSOWDBQHGYLTHY-UHFFFAOYSA-N",381037,NA,"PDBC15909","667058","Present",NA,NA
+"15910","2-Chloro-N-(1,1,3,3,5-pentamethyl-6-(1-pyrrolidinyl)-2,3-dihydro-1H-inden-4-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(1,1,3,3,5-pentamethyl-6-(pyrrolidin-1-yl)-2,...",NA,"CC1=C(C=C2C(=C1NC(=O)C3=CC=CC=C3Cl)C(CC2(C)C)(C)C)N4CCCC4","MEFFWHUBVHSLML-UHFFFAOYSA-N",331161,NA,"PDBC15910","321496","Present",NA,NA
+"15911","2-Chloro-N-(2,4,5-trichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: g1vmr bg dg eg",NA,"C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCl","GQRWKOPRUXSOBA-UHFFFAOYSA-N",32018,NA,"PDBC15911","165604","Present",NA,NA
+"15912","2-Chloro-N-(2,5-dimethoxyphenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(2,5-dimethoxyphenyl)-N-[2-(1,3-dioxoisoindol-2-yl)ethyl]acetamide",NA,"COC1=CC(=C(C=C1)OC)N(CCN2C(=O)C3=CC=CC=C3C2=O)C(=O)CCl","CYEOPLVNUGTVGD-UHFFFAOYSA-N",310867,NA,"PDBC15912","215999","Present",NA,NA
+"15913","2-Chloro-N-(2-chloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-~{N}-(2-chloroacetyl)-~{N}-[2,6-dimethoxy-3-(4-...",NA,"CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)N(C(=O)CCl)C(=O)CCl)OC","LMRRZVWNVPZYNG-UHFFFAOYSA-N",155810268,NA,"PDBC15913","797558","Present",NA,NA
+"15914","2-Chloro-N-(2-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(2-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide",NA,"C1=CC=C(C=C1)N2C(=O)NN=C2NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=CC=C4Cl)Cl)S","WHIROKCOUIHCJZ-UHFFFAOYSA-N",393940,NA,"PDBC15914","696912","Present",NA,NA
+"15915","2-Chloro-N-(2-ethyl-6-isopropylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(2-ethyl-6-isopropylphenyl)acetamide",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)CCl","OGNVZTLKMXSTPU-UHFFFAOYSA-N",358527,NA,"PDBC15915","618535","Present",NA,NA
+"15916","2-Chloro-N-(2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)benzamide",NA,"C1=CC=C(C(=C1)C(=O)NC2C=NC3=CC=CC=C3NC2=O)Cl","QKWBGQFWIALDAT-UHFFFAOYSA-N",367357,NA,"PDBC15916","636996","Present",NA,NA
+"15917","2-Chloro-N-(3-methylbut-2-enyl)-7H-purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purin-2-chloro-6-amine, N-(3-methyl-2-butenyl)-",NA,"CC(=CCNC1=NC(=NC2=C1NC=N2)Cl)C","NZWPXCCNOTZIPE-UHFFFAOYSA-N",495896,NA,"PDBC15917","672179","Present",NA,NA
+"15918","2-Chloro-N-(3-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, 2-chloro-N-(3-methylphenyl)-",NA,"CC1=CC(=CC=C1)NC(=O)CCl","GYMACIQGUHXSLT-UHFFFAOYSA-N",296325,NA,"PDBC15918","166401","Present",NA,NA
+"15919","2-Chloro-N-(3-{3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanoyl)-N-(4-methylphenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-[3-[3-methyl-4-[(4-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanoyl]-N-(4-methylphenyl)benzamide",NA,"CC1=CC=C(C=C1)N(C(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4Cl","LEPKGGMLGOFPKJ-UHFFFAOYSA-N",370457,NA,"PDBC15919","643588","Present",NA,NA
+"15920","2-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)acetamide",NA,"CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)NC(=O)CCl","RIMSJNVASQUWBB-UHFFFAOYSA-N",356997,NA,"PDBC15920","614566","Present",NA,NA
+"15921","2-Chloro-N-(4-chlorophenyl)-4-mercapto-5-(((6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)amino)sulfonyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(4-chlorophenyl)-5-[(6-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-4-sulfanylbenzamide",NA,"CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=C(C=C3)Cl)Cl)S","IVNJTJFXTZTKIP-UHFFFAOYSA-N",397049,NA,"PDBC15921","704331","Present",NA,NA
+"15922","2-Chloro-N-(4-chlorophenyl)-4-mercapto-5-[({3-[(4-methylphenyl)amino]-1H-1,2,4-triazol-5-yl}amino)sulfonyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(4-chlorophenyl)-5-[[5-(4-methylanilino)-1H-1,2,4-triazol-3-yl]sulfamoyl]-4-sulfanylbenzamide",NA,"CC1=CC=C(C=C1)NC2=NC(=NN2)NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl)S","MXBJFJXHKMYROY-UHFFFAOYSA-N",380936,NA,"PDBC15922","666722","Present",NA,NA
+"15923","2-Chloro-N-(4-chlorophenyl)-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-4-sulfanylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(4-chlorophenyl)-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-4-sulfanylbenzamide",NA,"C1CN(C(=O)NN1)S(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=C(C=C3)Cl)Cl)S","RZLDESQWIMJIPR-UHFFFAOYSA-N",393929,NA,"PDBC15923","696901","Present",NA,NA
+"15924","2-Chloro-N-(4-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(4-chlorophenyl)-5-[(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)sulfamoyl]-4-sulfanylbenzamide",NA,"C1=CC=C(C=C1)N2C(=O)NN=C2NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl)S","QOGBPNQGHFLSLT-UHFFFAOYSA-N",393939,NA,"PDBC15924","696911","Present",NA,NA
+"15925","2-Chloro-N-(4-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-Pf-1811",NA,"C1=CC(=CC=C1NC(=O)CCl)Cl","UDRCRMHFHHTVSN-UHFFFAOYSA-N",94920,NA,"PDBC15925","8369","Present",NA,NA
+"15926","2-Chloro-N-(4-fluorophenyl)-4-mercapto-5-(((6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)amino)sulfonyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(4-fluorophenyl)-5-[(6-methyl-1,2,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-4-sulfanylbenzamide",NA,"CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NC3=CC=C(C=C3)F)Cl)S","HJMFINQPYYWNJT-UHFFFAOYSA-N",397050,NA,"PDBC15926","704332","Present",NA,NA
+"15927","2-Chloro-N-(4-methoxyphenyl)-N,5-dimethylpyrrolo[3,2-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-N-(4-methoxyphenyl)-N,5-dimethyl-5H-pyrrolo[3,2...",NA,"CN1C=CC2=C1C(=NC(=N2)Cl)N(C)C3=CC=C(C=C3)OC","DHGLPKCITJOLFP-UHFFFAOYSA-N",155815283,NA,"PDBC15927","791202","Present",NA,NA
+"15928","2-Chloro-N-(4-methylphenyl)-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-4-sulfanylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(4-methylphenyl)-5-[(3-oxo-1,2,4-triazinan-4-yl)sulfonyl]-4-sulfanylbenzamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3CCNNC3=O","DTZXBZOABFSEIO-UHFFFAOYSA-N",393930,NA,"PDBC15928","696902","Present",NA,NA
+"15929","2-Chloro-N-[1-[[2-[(2-chloroacetyl)-ethylamino]-1-(4-chlorophenyl)-2-methylpropyl]trisulfanyl]-1-(4-chlorophenyl)-2-methylpropan-2-yl]-N-ethylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-[1-[[2-[(2-chloroacetyl)-ethylamino]-1-(4-chlorophenyl)-2-methylpropyl]trisulfanyl]-1-(4-chlorophenyl)-2-methylpropan-2-yl]-N-ethylacetamide",NA,"CCN(C(=O)CCl)C(C)(C)C(C1=CC=C(C=C1)Cl)SSSC(C2=CC=C(C=C2)Cl)C(C)(C)N(CC)C(=O)CCl","QGDABJBXNCGARB-UHFFFAOYSA-N",293606,NA,"PDBC15929","160439","Present",NA,NA
+"15930","2-Chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC(=CC2=CC3=CC=CC=C3N=C21)Cl.Cl","IAUQCASCHRFJCQ-UHFFFAOYSA-N",358134,NA,"PDBC15930","617966","Present",NA,NA
+"15931","2-Chloro-N-[3-(ethylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-[3-(ethylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)CCl","PKLXRCPMZJIPRB-UHFFFAOYSA-N",377411,NA,"PDBC15931","658854","Present",NA,NA
+"15932","2-Chloro-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine",NA,"CC(=NOC)C1=CC(=CC=C1)NC2=NC3=C(C=C(C=C3)Cl)C4=C2C5=CC=CC=C5N4","LLULKNXSQAOVJG-NUJZUDFISA-N",9572587,NA,"PDBC15932","721043","Present",NA,NA
+"15933","2-Chloro-N-[4-(methylthio)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, 2-chloro-N-[4-(methylthio)phenyl]-",NA,"CSC1=CC=C(C=C1)NC(=O)CCl","NHFSKNQUFJHKKE-UHFFFAOYSA-N",296365,NA,"PDBC15933","166464","Present",NA,NA
+"15934","2-Chloro-N-[5-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-4-oxo-1,3-thiazol-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-(5-(2-(4-chloro-2-methylanilino)-2-oxoethyl)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl)benzamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CC2C(=O)NC(=NC(=O)C3=CC=CC=C3Cl)S2","PMYLZPSZWBJYKF-UHFFFAOYSA-N",135466829,NA,"PDBC15934","634416","Present",NA,NA
+"15935","2-Chloro-N-[6-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-N-[6-[(2-chloroacetyl)amino]-9,10-dioxoanthracen-2-yl]acetamide",NA,"C1=CC2=C(C=C1NC(=O)CCl)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCl","UOWJONPWYDMJFO-UHFFFAOYSA-N",355988,NA,"PDBC15935","610965","Present",NA,NA
+"15936","2-Chloro-N-[[4-[[(2-chloroacetyl)amino]methyl]-5-methoxy-2-methyl-1H-indol-6-yl]methyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N,N'-[(5-methoxy-2-methyl-1H-indole-4,6-diyl)...",NA,"CC1=CC2=C(N1)C=C(C(=C2CNC(=O)CCl)OC)CNC(=O)CCl","QVTSJELDLWBNSP-UHFFFAOYSA-N",323387,NA,"PDBC15936","283168","Present",NA,NA
+"15937","2-Chloro-N-phenethyl-9-phenyl-9H-purin-6-amine, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-N-phenethyl-9-phenyl-9H-purin-6-amine, hydrochl...",NA,"C1=CC=C(C=C1)CCNC2=C3C(=NC(=N2)Cl)N(C=N3)C4=CC=CC=C4.Cl","HCNSAEITINKERO-UHFFFAOYSA-N",24182669,NA,"PDBC15937","19147","Present",NA,NA
+"15938","2-Chloroacetate;cobalt(3+);ethane-1,2-diamine;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Bis(chloroacetato)bis(ethylendiamine)cobalt(III) p...",NA,"C(CN)N.C(CN)N.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.[O-]Cl(=O)(=O)=O.[Co+3]","JKWKOZHZVLHIFS-UHFFFAOYSA-K",24202138,NA,"PDBC15938","630627","Present",NA,NA
+"15939","2-Chlorobenzaldehyde (4-hydroxy-5-(2-hydroxyethyl)-6-methyl-2-pyrimidinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chlorobenzaldehyde (4-hydroxy-5-(2-hydroxyethyl)-6-methyl-2-pyrimidinyl)hydrazone",NA,"CC1=C(C(=O)NC(=N1)NN=CC2=CC=CC=C2Cl)CCO","IHEPRAUXXBYCPG-LZYBPNLTSA-N",135499454,NA,"PDBC15939","660338","Present",NA,NA
+"15940","2-Chlorobenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chlorobenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine",NA,"C1=CC=C2C(=C1)N=C3N2C(=NC4=C(S3)C=CC(=C4)Cl)N","IXOLATYNIPAZRO-UHFFFAOYSA-N",383195,NA,"PDBC15940","671314","Present",NA,NA
+"15941","2-Chlorobenzo[b]acridine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chlorobenzo[b]acridine-6,11-dione",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C4C=CC(=CC4=C3)Cl","ORUMBAHZOHDEJN-UHFFFAOYSA-N",370223,NA,"PDBC15941","642967","Present",NA,NA
+"15942","2-Chloroethyl 2,7-dimethoxy-9-acridinyl sulfoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Chloroethylsulfinyl)-2,7-dimethoxy-acridine",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CCCl)OC","TVXICGOWQNPSDL-UHFFFAOYSA-N",395390,NA,"PDBC15942","699926","Present",NA,NA
+"15943","2-Chloroethyl 5-[5-fluoranyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloroethyl 5-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin...",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)F)C(=O)OCCCl)O","OPZOUDUNAZXSTL-UHFFFAOYSA-N",273749,NA,"PDBC15943","119173","Present",NA,NA
+"15944","2-Chloroethyl carbamate;ethyl N-(4-iodosulfonylphenyl)carbamate;magnesium;1-methyl-3-oxourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloroethyl carbamate;ethyl N-(4-iodosulfonylphenyl)carbamate;magnesium;1-methyl-3-oxourea",NA,NA,NA,NA,NA,"PDBC15944","627640","Present",NA,NA
+"15945","2-Chloroindolo[2,1-b]quinazoline-6,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloroindolo[2,1-b]quinazoline-6,12-dione",NA,"C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=C(C=C4)Cl)C(=O)N23","GGZWZZOEBSZAML-UHFFFAOYSA-N",396725,NA,"PDBC15945","703334","Present",NA,NA
+"15946","2-Chloromethyl-3-(2'-tolyl)-6-bromo-4-quinazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-(chloromethyl)-3-(2-methylphenyl)quinazolin-4(3H)-one",NA,"CC1=CC=CC=C1N2C(=NC3=C(C2=O)C=C(C=C3)Br)CCl","CNSVUXFMSQHKRI-UHFFFAOYSA-N",369093,NA,"PDBC15946","640650","Present",NA,NA
+"15947","2-Chloromethylbenzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pdc 6886",NA,"C1=CC=C2C(=C1)NC(=N2)CCl","SPMLMLQATWNZEE-UHFFFAOYSA-N",78571,NA,"PDBC15947","15436","Present",NA,NA
+"15948","2-Chloronicotinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KSC352Q4B",NA,"C1=CC(=C(N=C1)Cl)C#N","JAUPUQRPBNDMDT-UHFFFAOYSA-N",81079,NA,"PDBC15948","73287","Present",NA,NA
+"15949","2-Chlorophenylhydrazine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(o-Chlorophenyl)hydrazizne hydrochloride",NA,"C1=CC=C(C(=C1)NN)Cl.Cl","ADODRSVGNHNKAT-UHFFFAOYSA-N",443287,NA,"PDBC15949","100723","Present",NA,NA
+"15950","2-Chloroprop-2-enyl N-(3-chlorophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbanilic acid, m-chloro-, 2-chloroallyl ester",NA,"C=C(COC(=O)NC1=CC(=CC=C1)Cl)Cl","CWONZFWBEOJJET-UHFFFAOYSA-N",348953,NA,"PDBC15950","408478","Present",NA,NA
+"15951","2-Cinnamoyl-8-(hydroxy(oxido)amino)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cinnamoyl-8-(hydroxy(oxido)amino)-7-methoxy-1-methyl-2,3,4,9-tetrahydro-1H-beta-carboline",NA,"CC1C2=C(CCN1C(=O)C=CC3=CC=CC=C3)C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]","KAALNPSYWZITQC-DHZHZOJOSA-N",5914033,NA,"PDBC15951","628650","Present",NA,NA
+"15952","2-Cuban-1-yl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cuban-1-yl-1H-imidazole",NA,"C1=CN=C(N1)C23C4C5C2C6C5C4C36","SWUWHMZSBVEKIF-UHFFFAOYSA-N",383854,NA,"PDBC15952","672596","Present",NA,NA
+"15953","2-Cuban-1-ylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cuban-1-ylacetic acid",NA,"C(C(=O)O)C12C3C4C1C5C4C3C25","GUEONBQYTUWHRR-UHFFFAOYSA-N",369184,NA,"PDBC15953","640890","Present",NA,NA
+"15954","2-Cuban-1-ylsulfanylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cuban-1-ylsulfanylpyridine",NA,"C1=CC=NC(=C1)SC23C4C5C2C6C5C4C36","FDNWKPVMRWJKOL-UHFFFAOYSA-N",373488,NA,"PDBC15954","649895","Present",NA,NA
+"15955","2-Cyano-2-methyl-N-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-yl]-3-phenylpropanimidam ide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyano-2-methyl-N-[1-methyl-3-(2-thienyl)-1H-pyrazol-5-...",NA,"CC(CC1=CC=CC=C1)(C#N)C(=NC2=CC(=NN2C)C3=CC=CS3)N","NDDBFMWZUSHYQV-UHFFFAOYSA-N",24204363,NA,"PDBC15955","731537","Present",NA,NA
+"15956","2-Cyano-2-phenylsulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-2-(phenylsulfanyl)acetamide",NA,"C1=CC=C(C=C1)SC(C#N)C(=O)N","YKFKMNBROMCRSM-UHFFFAOYSA-N",361852,NA,"PDBC15956","625173","Present",NA,NA
+"15957","2-Cyano-3-(((4-((2-pyridinylamino)sulfonyl)anilino)carbothioyl)amino)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-3-(((4-((2-pyridinylamino)sulfonyl)anilino)carbothioyl)amino)acrylamide",NA,"C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC=C(C#N)C(=O)N","OVMCLUCTATWATD-ZHACJKMWSA-N",3004598,NA,"PDBC15957","658792","Present",NA,NA
+"15958","2-Cyano-3-(1-phenylindol-3-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UK-5099",NA,"C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)O","BIZNHCWFGNKBBZ-JLHYYAGUSA-N",6438504,NA,"PDBC15958","784390","Present",NA,NA
+"15959","2-Cyano-3-(3,5-dihydroxy-phenyl)-acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-3-(3,5-dihydroxy-phenyl)-acrylamide",NA,"C1=C(C=C(C=C1O)O)C=C(C#N)C(=O)N","QPRHWCGQZUBIJC-LREOWRDNSA-N",5388679,NA,"PDBC15959","638078","Present",NA,NA
+"15960","2-Cyano-3-(3-hydroxy-phenyl)-acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-3-(3-hydroxy-phenyl)-acrylamide",NA,"C1=CC(=CC(=C1)O)C=C(C#N)C(=O)N","QNEGNWNZPWHAKM-XBXARRHUSA-N",5388676,NA,"PDBC15960","638073","Present",NA,NA
+"15961","2-Cyano-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylamino)-3-(4-dimethylamino-1-pyridinio)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyano-3-(4-chloro-5-methyl-2-sulfidophenylsulfonylamin...",NA,"CC1=CC(=C(C=C1Cl)[S-])S(=O)(=O)NC(=C(C#N)C#N)[N+]2=CC=C(C=C2)N(C)C","SOZRCBNPAKNYJX-UHFFFAOYSA-N",404421,NA,"PDBC15961","720633","Present",NA,NA
+"15962","2-Cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyano-3-(9-ethyl-9H-carbazol-3-yl)thioacrylamide",NA,"CCN1C2=C(C=C(C=C2)C=C(C#N)C(=S)N)C3=CC=CC=C31","FZRIEBKAYQIEOT-LCYFTJDESA-N",24202813,NA,"PDBC15962","726031","Present",NA,NA
+"15963","2-Cyano-3-(carbocymethylthio-4-chloro-5-methylphenylsulfonam ido)-3-(4-dimethylamino-1-pyridinio)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyano-3-(carbocymethylthio-4-chloro-5-methylphenylsulf...",NA,"CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)N=C(C(=C=[N-])C#N)[N+]2=CC=C(C=C2)N(C)C","WYAUNBZBVHZTKY-GFMRDNFCSA-N",9572582,NA,"PDBC15963","720638","Present",NA,NA
+"15964","2-Cyano-3-[(thiophene-2-carbonyl)-amino]-quinoxaline-1,4 dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-3-[(thiophene-2-carbonyl)-amino]-quinoxaline-1,4...",NA,"C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])NC(=O)C3=CC=CS3)C#N)[O-]","SRALZEYSDOLBMG-UHFFFAOYSA-N",135958392,NA,"PDBC15964","741460","Present",NA,NA
+"15965","2-Cyano-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide",NA,"C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C4=CC=CC=C4[N+]3=O)[O-])C#N","HXTKFGFYTMCGAJ-UHFFFAOYSA-N",397144,NA,"PDBC15965","704543","Present",NA,NA
+"15966","2-Cyano-5-(2-methyl-2H-[1,4]triazol-3-ylsulfanyl)-5-p-toly l-penta-2,4-dienoic acid amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-5-(2-methyl-2H-[1,2,4]triazol-3-ylsulfanyl)-5-p-...",NA,"CC1=CC=C(C=C1)C(=CC=C(C#N)C(=O)N)SC2=NC=NN2C","MTHNHBLXZMSIKZ-PVRNWPCDSA-N",6074984,NA,"PDBC15966","727949","Present",NA,NA
+"15967","2-Cyano-6,7-dichloro-3-(4-chloro)phenylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyano-6,7-dichloro-3-(4-chloro)phenylquinoxaline",NA,"C1=CC(=CC=C1C2=NC3=CC(=C(C=C3N=C2C#N)Cl)Cl)Cl","PBGZBJWEADBMEQ-UHFFFAOYSA-N",11709772,NA,"PDBC15967","727200","Present",NA,NA
+"15968","2-Cyano-6,7-dichloro-3-(4-methyloxicarbonyl)phenylquinoxalin e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyano-6,7-dichloro-3-(4-methyloxicarbonyl)phenylquinox...",NA,"COC(=O)C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N=C2C#N)Cl)Cl","FYKWHQSZICPIDB-UHFFFAOYSA-N",11717415,NA,"PDBC15968","727203","Present",NA,NA
+"15969","2-Cyano-6,7-difluoro-3-(4'-methoxycarbonyl)phenylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyano-6,7-difluoro-3-(4'-methoxycarbonyl)phenylquinoxa...",NA,"COC(=O)C1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N=C2C#N)F)F","IXPRPRSCPKDGFR-UHFFFAOYSA-N",24203459,NA,"PDBC15969","728077","Present",NA,NA
+"15970","2-Cyano-6,7-difluoro-3-(4-chloro)phenylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyano-6,7-difluoro-3-(4-chloro)phenylquinoxaline",NA,"C1=CC(=CC=C1C2=NC3=CC(=C(C=C3N=C2C#N)F)F)Cl","LHOXWWLUICHPDB-UHFFFAOYSA-N",11616421,NA,"PDBC15970","727202","Present",NA,NA
+"15971","2-Cyano-6,7-difluoro-3-(4-methyl)phenylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyano-6,7-difluoro-3-(4-methyl)phenylquinoxaline",NA,"CC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N=C2C#N)Cl)Cl","NLCLHINNZQXUOQ-UHFFFAOYSA-N",11551399,NA,"PDBC15971","727201","Present",NA,NA
+"15972","2-Cyano-7-chloro-6-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-7-chloro-6-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide",NA,"COC1=C(C=C2C(=C1)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])Cl","ZUEOLSYSLNXOMR-UHFFFAOYSA-N",397145,NA,"PDBC15972","704544","Present",NA,NA
+"15973","2-Cyano-7-methoxy-3-[(thiophene-2-carbonyl)-amino]-quinoxaline-1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-7-methoxy-3-[(thiophene-2-carbonyl)-amino]-quino...",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C#N)NC(=O)C3=CC=CS3)[O-]","ZXZUWOQAZVXCHZ-UHFFFAOYSA-N",135958393,NA,"PDBC15973","741461","Present",NA,NA
+"15974","2-Cyano-7-methoxy-3-[4-(4-nitrophenyl)piperazine-1-yl]quinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Quinoxalinecarbonitrile, 7-methoxy-3-[4-(4-nitrophenyl...",NA,"COC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]","OROONQAAYQLBOY-UHFFFAOYSA-N",397146,NA,"PDBC15974","704545","Present",NA,NA
+"15975","2-Cyano-N,N-diisopropyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-N,N-diisopropyl-1-cubanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4C3C25C#N","KBJJRODRLICCQR-UHFFFAOYSA-N",369212,NA,"PDBC15975","640918","Present",NA,NA
+"15976","2-Cyano-N-(2,4-dimethylphenyl)-3-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F0103-0016",NA,"CC1=CC(=C(C=C1)NC(=O)C(=CC2=CC=CC=C2)C#N)C","GTYLGQSEHHLRJR-LFIBNONCSA-N",5388140,NA,"PDBC15976","632228","Present",NA,NA
+"15977","2-Cyano-N-(2-hydroxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK950028",NA,"C1=CC=C(C(=C1)NC(=O)CC#N)O","VPYDYCHWWHBLLR-UHFFFAOYSA-N",365135,NA,"PDBC15977","632236","Present",NA,NA
+"15978","2-Cyano-N-(2-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-N-(2-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide",NA,"COC1=CC=CC=C1NC(=O)C(=C(SC)SC)C#N","IGVHJMKSIYUYAS-UHFFFAOYSA-N",390324,NA,"PDBC15978","687616","Present",NA,NA
+"15979","2-Cyano-N-(3-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-N-(3-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide",NA,"COC1=CC=CC(=C1)NC(=O)C(=C(SC)SC)C#N","IBTGKXABSMUTJG-UHFFFAOYSA-N",390307,NA,"PDBC15979","687599","Present",NA,NA
+"15980","2-Cyano-N-(4-ethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_002270",NA,"CCOC1=CC=C(C=C1)NC(=O)CC#N","OVLKYXWCLMCKIB-UHFFFAOYSA-N",359811,NA,"PDBC15980","621371","Present",NA,NA
+"15981","2-Cyano-N-(4-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-N-(4-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enamide",NA,"COC1=CC=C(C=C1)NC(=O)C(=C(SC)SC)C#N","YZRAAMGMLRQZSB-UHFFFAOYSA-N",390315,NA,"PDBC15981","687607","Present",NA,NA
+"15982","2-Cyano-N-(4-methylphenyl)-3,3-bis(methylthio)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-N-(4-methylphenyl)-3,3-bis(methylthio)acrylamide",NA,"CC1=CC=C(C=C1)NC(=O)C(=C(SC)SC)C#N","WHADIQMYTXIDJB-UHFFFAOYSA-N",390311,NA,"PDBC15982","687603","Present",NA,NA
+"15983","2-Cyano-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]acetamide",NA,"CC1=CC(=C(C(=O)O1)C(=NNC(=O)CC#N)C)O","BBARAQORVYDTER-NTUHNPAUSA-N",135455600,NA,"PDBC15983","618497","Present",NA,NA
+"15984","2-Cyano-N-[(E)-1-(7-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-yl)ethylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-N-[(E)-1-(7-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-yl)ethylideneamino]acetamide",NA,"CC(=NNC(=O)CC#N)C1=C[N+](=C2C=CC(=CC2=[N+]1[O-])OC)[O-]","SFQMHXZGQMNMLT-CXUHLZMHSA-N",135483920,NA,"PDBC15984","635539","Present",NA,NA
+"15985","2-Cyano-N-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-N-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]acetamide",NA,"CC1=NN=C(N1NC(=O)CC#N)CC#N","IHUDOOSGJHNXKA-UHFFFAOYSA-N",386775,NA,"PDBC15985","679483","Present",NA,NA
+"15986","2-Cyano-N-[3-(trifluoromethyl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002329",NA,"C1=CC(=CC(=C1)NC(=O)CC#N)C(F)(F)F","HYPXSLNQQNLJDY-UHFFFAOYSA-N",359806,NA,"PDBC15986","621366","Present",NA,NA
+"15987","2-Cyano-N-hexylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyano-N-hexyl-acetohydrazide",NA,"CCCCCCN(C(=O)CC#N)N","PYIJRKAYVQGELK-UHFFFAOYSA-N",366953,NA,"PDBC15987","636115","Present",NA,NA
+"15988","2-Cyanoethyl 2-iminocyclopentanecarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanecarbodithioic acid, 2-imino-, 2-cyanoethyl e...",NA,"C1CC(C(=N)C1)C(=S)SCCC#N","BXYQFEVQIURBAI-UHFFFAOYSA-N",327580,NA,"PDBC15988","303289","Present",NA,NA
+"15989","2-Cyclohepta[b]pyrrol-2-yl-5-methyl-1,2-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohepta[b]pyrrol-2-yl-5-methyl-1,2-dihydro-3H-pyrazol-3-one",NA,"CC1=CC(=O)N(N1)C2=CC3=CC=CC=CC3=N2","OVAFYYYFCUVKGC-UHFFFAOYSA-N",363757,NA,"PDBC15989","628949","Present",NA,NA
+"15990","2-Cyclohexen-1-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexen-1-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,"C1CC=CC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C1","ZMXJLBYYNDEELC-UKTHLTGXSA-N",5378003,NA,"PDBC15990","670175","Present",NA,NA
+"15991","2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexen-1-one, 2,2'-thiobis[3-hydroxy-",NA,"C1CC(=C(C(=O)C1)SC2=C(CCCC2=O)O)O","BVNAHAUBKFUXHA-UHFFFAOYSA-N",363033,NA,"PDBC15991","627577","Present",NA,NA
+"15992","2-Cyclohexen-3,5-diol-1-one, 2-dodecanoyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexen-3,5-diol-1-one, 2-dodecanoyl-",NA,"CCCCCCCCCCCC(=C1C(=O)CC(CC1=O)O)O","ZINKGJRHCVLYDS-UHFFFAOYSA-N",365013,NA,"PDBC15992","631948","Present",NA,NA
+"15993","2-Cyclohexen-3,6-diol-1-one, 2-dodecanoyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexen-3,6-diol-1-one, 2-dodecanoyl-",NA,"CCCCCCCCCCCC(=O)C1=C(C(CCC1=O)O)O","UKCWKCBAPZZCTP-UHFFFAOYSA-N",360503,NA,"PDBC15993","622637","Present",NA,NA
+"15994","2-Cyclohexen-3-ol-1-one, 2-[11-phenylundecanoyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexen-3-ol-1-one, 2-[11-phenylundecanoyl]-",NA,"C1CC(=O)C(=C(CCCCCCCCCCC2=CC=CC=C2)O)C(=O)C1","QYIYKHSEQSUEQR-UHFFFAOYSA-N",365014,NA,"PDBC15994","631949","Present",NA,NA
+"15995","2-Cyclohexyl-2-azaspiro[3.5]nonan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexyl-2-azaspiro[3.5]nonan-3-one",NA,"C1CCC(CC1)N2CC3(C2=O)CCCCC3","FTSXEFIPTFYXIJ-UHFFFAOYSA-N",357705,NA,"PDBC15995","617222","Present",NA,NA
+"15996","2-Cyclohexyl-3-(3-nitrophenyl)oxaziridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexyl-3-(3-nitrophenyl)oxaziridine",NA,"C1CCC(CC1)N2C(O2)C3=CC(=CC=C3)[N+](=O)[O-]","IOXPEEMDMAXKEF-UHFFFAOYSA-N",272286,NA,"PDBC15996","116590","Present",NA,NA
+"15997","2-Cyclohexylacetaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexaneacetaldehyde",NA,"C1CCC(CC1)CC=O","JJMDTERTPNYIGZ-UHFFFAOYSA-N",316627,NA,"PDBC15997","244934","Present",NA,NA
+"15998","2-Cyclohexylethynyl-4,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexylethynyl-4,6-dimethoxy-1,3,5-triazine",NA,"COC1=NC(=NC(=N1)C#CC2CCCCC2)OC","OLFDRSWEZYNWST-UHFFFAOYSA-N",405237,NA,"PDBC15998","722338","Present",NA,NA
+"15999","2-Cyclohexylidenevinylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexylidenevinylphosphonic acid",NA,"C1CCC(=C=CP(=O)(O)O)CC1","IEOUMQUBYNVDCH-UHFFFAOYSA-N",380887,NA,"PDBC15999","666671","Present",NA,NA
+"16000","2-Cyclohexylphenyl 1-naphthylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexylphenyl 1-naphthylcarbamate",NA,"C1CCC(CC1)C2=CC=CC=C2OC(=O)NC3=CC=CC4=CC=CC=C43","KNNNLPBMBXPXKW-UHFFFAOYSA-N",361277,NA,"PDBC16000","624220","Present",NA,NA
+"16001","2-Cyclohexylphenyl phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexylphenyl phenylcarbamate",NA,"C1CCC(CC1)C2=CC=CC=C2OC(=O)NC3=CC=CC=C3","HCFJXSRBRJQJCJ-UHFFFAOYSA-N",361278,NA,"PDBC16001","624221","Present",NA,NA
+"16002","2-Cyclopenta[2,1-b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclopenta[2,1-b",NA,"COC(=O)C1=C(SC(=C2C3=C(C4=C2C=CS4)SC=C3)S1)C(=O)OC","UHDORDOYICOYKC-UHFFFAOYSA-N",379962,NA,"PDBC16002","665156","Present",NA,NA
+"16003","2-Cyclopenten-1-one, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclopenten-1-one, 5-[(dimethylamino)methyl]-2-[2-[4- ...",NA,"CC(C)CC1=CC=C(C=C1)C(C)CC2=CCC(C2=O)CN(C)C.Cl","XPGPBGPRPPCIOM-UHFFFAOYSA-N",362663,NA,"PDBC16003","626876","Present",NA,NA
+"16004","2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DMLFZPPSYYJZHM-UHFFFAOYSA-N",NA,"COC1CC(=O)C(=C1)NC2=CC(=CC=C2)Cl","DMLFZPPSYYJZHM-UHFFFAOYSA-N",359318,NA,"PDBC16004","620080","Present",NA,NA
+"16005","2-Cyclopentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclopentylidene-5-(piperidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,"C1CCN(CC1)CC2CCC(=C3CCCC3)C2=O.Cl","XVAPHLYEMBPCME-UHFFFAOYSA-N",368460,NA,"PDBC16005","639508","Present",NA,NA
+"16006","2-Cyclopentylidene-5-[(dimethylamino)methyl]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Dimethylamino)methyl]-1,1'-bi(cyclopentyliden)-2-one",NA,"CN(C)CC1CCC(=C2CCCC2)C1=O","IDAOINVXJKIMPD-UHFFFAOYSA-N",368780,NA,"PDBC16006","639980","Present",NA,NA
+"16007","2-Cyclopropene-1-carboxylic acid, 2-(1-hydroxy-1-methylethyl)-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclopropene-1-carboxylic acid, 2-(1-hydroxy-1-methylethyl)-, ethyl ester",NA,"CCOC(=O)C1C=C1C(C)(C)O","YWJRVKPZFBEKRF-UHFFFAOYSA-N",379001,NA,"PDBC16007","662771","Present",NA,NA
+"16008","2-Cyclopropyl-1,3-benzoxazepin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclopropyl-1,3-benzoxazepin-5-ol",NA,"C1CC1C2=NC=C(C3=CC=CC=C3O2)O","SCLIIBDWIGVZNQ-UHFFFAOYSA-N",371952,NA,"PDBC16008","646709","Present",NA,NA
+"16009","2-Cyclopropyl-5-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-cyclopropyl-5-(3,4-dimethoxyphenyl)-6-(3,4,5-trimethox...",NA,"COC1=C(C=C(C=C1)C2=C(N=C3N2N=C(S3)C4CC4)C5=CC(=C(C(=C5)OC)OC)OC)OC","YHOUCGMIPIRBAV-UHFFFAOYSA-N",127036222,NA,"PDBC16009","775002","Present",NA,NA
+"16010","2-Debenzoyl-2-(3',5'-difluorobenzoyl)-A-nortaxol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-debenzoyl-2-(3',5'-difluorobenzoyl)-a-nortaxol",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C2(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)C(=C)C)OC(=O)C7=CC(=CC(=C7)F)F)(CO4)OC(=O)C)O)C)OC(=O)C","PAMGAKKRYNEWMG-BCAIOGNXSA-N",6712230,NA,"PDBC16010","661746","Present",NA,NA
+"16011","2-Debenzoyl-2-(p-fluorobenzoyl)paclitaxel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Debenzoyl-2-(p-fluorobenzoyl)paclitaxel",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=C(C=C7)F)(CO4)OC(=O)C)O)C)OC(=O)C","QOBLNAMMILBXCH-MZXODVADSA-N",384063,NA,"PDBC16011","673188","Present",NA,NA
+"16012","2-Demethyl-N-trifluoroacetyl-deacetylcolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"colchine, 2-demethyl, n-trifluoro acetyl",NA,"COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)O)OC)NC(=O)C(F)(F)F","BXGLTIXFXLUVOH-ZDUSSCGKSA-N",73627,NA,"PDBC16012","335989","Present",NA,NA
+"16013","2-Deoxy-2-fluoro-L-fucose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SGN-2FF",NA,"CC1C(C(C(C(O1)O)F)O)O","IRKXGKIPOMIQOD-ZZWDRFIYSA-N",44544736,NA,"PDBC16013","803552","Present",NA,NA
+"16014","2-Deoxy-4,7-furanose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Deoxy-4,5:6.8-di-O-isopropylidene-.alpha.-L-gulo-oct-4...",NA,"CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C(CCO)O)C","LMYGIECOUAXPCD-RFMRNQOOSA-N",395855,NA,"PDBC16014","700858","Present",NA,NA
+"16015","2-Deoxy-D-galactose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ba 2758",NA,"C(C=O)C(C(C(CO)O)O)O","VRYALKFFQXWPIH-UHFFFAOYSA-N",225612,NA,"PDBC16015","15193","Present",NA,NA
+"16016","2-Diazo-1-(2-oxooxazolidin-3-yl)butane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-3-oxo-1-(2-oxo-1,3-oxazolidin-3-yl)but-1-en-1-olate",NA,"CC(=O)C(=[N+]=[N-])C(=O)N1CCOC1=O","WHKYTJCDHGJQQL-UHFFFAOYSA-N",379158,NA,"PDBC16016","663572","Present",NA,NA
+"16017","2-Diazo-1-[1-(2-diazoacetyl)cyclopropyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazo-1-[1-(2-diazoacetyl)cyclopropyl]ethanone",NA,"C1CC1(C(=O)C=[N+]=[N-])C(=O)C=[N+]=[N-]","XEFLXSCUSQPHGX-UHFFFAOYSA-N",373314,NA,"PDBC16017","649460","Present",NA,NA
+"16018","2-Diazo-1-[2-(4-phenylbut-1-ynyl)phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-1-[2-(4-phenylbut-1-yn-1-yl)phenyl]ethenolate",NA,"C1=CC=C(C=C1)CCC#CC2=CC=CC=C2C(=O)C=[N+]=[N-]","RBUMGDQJMZOAGK-UHFFFAOYSA-N",373282,NA,"PDBC16018","649433","Present",NA,NA
+"16019","2-Dibenzoylmethylene-2h-1,4-benzothiazin-3(4h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Oxo-3,4-dihydro-2h-1,4-benzothiazin-2-ylidene)-1,3-diphenylpropane-1,3-dione",NA,"C1=CC=C(C=C1)C(=O)C(=C2C(=O)NC3=CC=CC=C3S2)C(=O)C4=CC=CC=C4","ZPFVLYZODDQHMU-UHFFFAOYSA-N",398013,NA,"PDBC16019","707086","Present",NA,NA
+"16020","2-Didin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Didin",NA,"CC1=C(ON=C1C)NC2=CC(=NC3=C(C(=NO3)C)C)C4=CC=CC=C4C2=O","YOVXBSRIHBCXAV-LTGZKZEYSA-N",9571373,NA,"PDBC16020","649748","Present",NA,NA
+"16021","2-Diethoxyphosphoryl-4-phenyl-aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diethoxyphosphoryl-4-phenyl-aniline",NA,"CCOP(=O)(C1=C(C=CC(=C1)C2=CC=CC=C2)N)OCC","BTDWQSGIXUBSEQ-UHFFFAOYSA-N",392915,NA,"PDBC16021","694098","Present",NA,NA
+"16022","2-Diethoxyphosphoryl-N-methyl-butan-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diethoxyphosphoryl-N-methyl-butan-2-amine",NA,"CCC(C)(NC)P(=O)(OCC)OCC","TXVVXXMNYJCVPX-UHFFFAOYSA-N",385499,NA,"PDBC16022","676748","Present",NA,NA
+"16023","2-Diethylphosphono-3-(2-furyl)propionitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diethylphosphono-3-(2-furyl)propionitrile",NA,"CCOP(=O)(C(CC1=CC=CO1)C#N)OCC","BUAJNNUBCLUMGD-UHFFFAOYSA-N",379124,NA,"PDBC16023","663400","Present",NA,NA
+"16024","2-Diethylphosphono-3-methyl-3-(2-furyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diethylphosphono-3-methyl-3-(2-furyl)acrylonitrile",NA,"CCOP(=O)(C(=C(C)C1=CC=CO1)C#N)OCC","ZMUNIPNIVIABBB-ZRDIBKRKSA-N",6078880,NA,"PDBC16024","663401","Present",NA,NA
+"16025","2-Diisopropoxyphosphoryl-1,1,1,3,3,3-hexafluoro-propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diisopropoxyphosphoryl-1,1,1,3,3,3-hexafluoro-propane",NA,"CC(C)OP(=O)(C(C(F)(F)F)C(F)(F)F)OC(C)C","ATYMUVUKQLLYOL-UHFFFAOYSA-N",389111,NA,"PDBC16025","684796","Present",NA,NA
+"16026","2-Diisopropoxyphosphoryl-4-ethyl-2-[(E)-(4-nitrophenyl)azo]oxazolidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diisopropoxyphosphoryl-4-ethyl-2-[(E)-(4-nitrophenyl)azo]oxazolidin-5-one",NA,"CCC1C(=O)OC(N1)(N=NC2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C","OBJIVGDTIWTEFE-UHFFFAOYSA-N",374425,NA,"PDBC16026","652136","Present",NA,NA
+"16027","2-Dimethoxyphosphoryl-1-[3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Dimethoxyphosphoryl-1-[3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone",NA,"COP(=O)(CC(=O)C1C(C(C(C(O1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC","DPMSORJUKBRMCT-UHFFFAOYSA-N",402827,NA,"PDBC16027","717079","Present",NA,NA
+"16028","2-Dimethoxyphosphoryl-1-[6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC717077///NSC717078",NA,"COC1C(C(C(C(O1)C(=O)CP(=O)(OC)OC)OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","UPFWYQIWBFCVLZ-UHFFFAOYSA-N",402826,NA,"PDBC16028","717077///717078","Present",NA,NA
+"16029","2-Dimethylaminomethyl-cyclopentanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Dimethylaminomethyl-cyclopentanone oxime",NA,"CN(C)CC1CCCC1=NO","FVVHFWFLBFJLPR-CMDGGOBGSA-N",5916938,NA,"PDBC16029","638640","Present",NA,NA
+"16030","2-Dimethylphosphoryl-2,3,4-trimethylpentane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Dimethylphosphoryl-2,3,4-trimethylpentane",NA,"CC(C)C(C)C(C)(C)P(=O)(C)C","QVUOCBYSYIICNY-UHFFFAOYSA-N",357595,NA,"PDBC16030","617068","Present",NA,NA
+"16031","2-Dimethylthallanyloxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Dimethylthallanyloxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,"PDBC16031","644914","Present",NA,NA
+"16032","2-Diphenylmethylamino-2-oxazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100730",NA,"C1COC(=N1)NC(C2=CC=CC=C2)C3=CC=CC=C3","PKQVSBQIQNUSJC-UHFFFAOYSA-N",379224,NA,"PDBC16032","663638","Present",NA,NA
+"16033","2-Diphenylphosphanyl-1-[3-(2-diphenylphosphanylacetyl)phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1,1'-(1,3-phenylene)bis[2-(diphenylphosphino)-",NA,"C1=CC=C(C=C1)P(CC(=O)C2=CC(=CC=C2)C(=O)CP(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","NQDNXPDXZIAHJT-UHFFFAOYSA-N",378387,NA,"PDBC16033","660686","Present",NA,NA
+"16034","2-Diphenylphosphanylethyl(dipyridin-2-yl)phosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphine, [2-(dipyridinylphosphino)ethyl]diphenyl-",NA,"C1=CC=C(C=C1)P(CCP(C2=CC=CC=N2)C3=CC=CC=N3)C4=CC=CC=C4","VZLPLTZBCKHJAO-UHFFFAOYSA-N",400499,NA,"PDBC16034","712396","Present",NA,NA
+"16035","2-Diphenylphosphoryl-1-[3-(2-diphenylphosphorylacetyl)phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1,1'-(1,3-phenylene)bis[2-(diphenylphosphinyl)-",NA,"C1=CC=C(C=C1)P(=O)(CC(=O)C2=CC(=CC=C2)C(=O)CP(=O)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","SAQWUXJJGWMOLG-UHFFFAOYSA-N",378386,NA,"PDBC16035","660685","Present",NA,NA
+"16036","2-Diphenylthallanyloxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diphenylthallanyloxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,"PDBC16036","644915","Present",NA,NA
+"16037","2-Ethenyl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-ethenyl estradiol",NA,"CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)C=C)O","BFKMKTXWLSOMEF-SSGANFLRSA-N",381026,NA,"PDBC16037","667049","Present",NA,NA
+"16038","2-Ethenyl-4-methyl-1-prop-2-enoxybenzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethenyl-4-methyl-1-prop-2-enoxybenzimidazole",NA,"CC1=C2C(=CC=C1)N(C(=N2)C=C)OCC=C","NVKQYGYOBRMEQI-UHFFFAOYSA-N",399713,NA,"PDBC16038","710717","Present",NA,NA
+"16039","2-Ethoxy-1,10-phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VUF-7745",NA,"CCOC1=NC2=C(C=CC3=C2N=CC=C3)C=C1","MRIYYOMMNFKIOZ-UHFFFAOYSA-N",355195,NA,"PDBC16039","608429","Present",NA,NA
+"16040","2-Ethoxy-1,5,6-trimethoxyphenanthrene-4-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-1,5,6-trimethoxyphenanthrene-4-carbaldehyde",NA,"CCOC1=C(C2=C(C(=C1)C=O)C3=C(C=C2)C=CC(=C3OC)OC)OC","SYZUCTPMCOIUMC-UHFFFAOYSA-N",356187,NA,"PDBC16040","611270","Present",NA,NA
+"16041","2-Ethoxy-1,5,6-trimethoxyphenanthrene-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-1,5,6-trimethoxyphenanthrene-4-carboxylic acid",NA,"CCOC1=C(C2=C(C(=C1)C(=O)O)C3=C(C=C2)C=CC(=C3OC)OC)OC","HRKRLHFXNCAOAK-UHFFFAOYSA-N",356186,NA,"PDBC16041","611269","Present",NA,NA
+"16042","2-Ethoxy-3,17beta-dihydroxy-1,3,5(10)-estratrien-6-one O-methyl oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-6-(O-methyl)hydroxyiminoestra-1,3,5(10)-trien-3...",NA,"CCOC1=C(C=C2C(=NOC)CC3C(C2=C1)CCC4(C3CCC4O)C)O","UEBKXOVVEDPLRF-JEWOCWDMSA-N",5469096,NA,"PDBC16042","683125","Present",NA,NA
+"16043","2-Ethoxy-3,17beta-dihydroxy-1,3,5(10)-estratrien-6-one hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-diol hydr...",NA,"CCOC1=C(C=C2C(=NN)CC3C(C2=C1)CCC4(C3CCC4O)C)O","FAWYOZHQZVQBPR-OAIJLOQGSA-N",5469079,NA,"PDBC16043","682597","Present",NA,NA
+"16044","2-Ethoxy-3,17beta-dihydroxy-1,3,5(10)-estratrien-6-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Estra-1,3,5(10)-trien-3,17-diol,2-ethoxy-6-(hydroxyimino...",NA,"CCOC1=C(C=C2C(=NO)CC3C(C2=C1)CCC4(C3CCC4O)C)O","SMKGGPJGMFBQDP-ZMMLKIRESA-N",5468960,NA,"PDBC16044","680185","Present",NA,NA
+"16045","2-Ethoxy-3,3,4-trimethyl-2-oxido-3,4-dihydro-2H-1,4,2-diazaphosphol-5-ylcyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2$l^{5}-diazaphosphol-5-yl)cyanamide",NA,"CCOP1(=O)C(N(C(=N1)NC#N)C)(C)C","UNZXIRGVUSODFR-UHFFFAOYSA-N",382494,NA,"PDBC16045","670100","Present",NA,NA
+"16046","2-Ethoxy-3,8,9-trimethoxy-5-methyl-12-phenylmethoxybenzo[c]phenanthridin-5-ium;methanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-3,8,9-trimethoxy-5-methyl-12-phenylmethoxybenzo[c]phenanthridin-5-ium;methanesulfonic acid",NA,"CCOC1=C(C=C2C(=C1)C(=CC3=C2[N+](=CC4=CC(=C(C=C43)OC)OC)C)OCC5=CC=CC=C5)OC.CS(=O)(=O)O","RTRYXIDEIYACKQ-UHFFFAOYSA-N",434591,NA,"PDBC16046","352671","Present",NA,NA
+"16047","2-Ethoxy-3-[2-[2-(2-ethoxy-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)ethyldisulfanyl]ethyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-3-[2-[2-(2-ethoxy-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)ethyldisulfanyl]ethyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one",NA,"CCOC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCSSCCN4C(=O)C5=C(N=C4OCC)SC6=C5CCCC6","ZNOWOJMSFPKGAI-UHFFFAOYSA-N",393117,NA,"PDBC16047","694517","Present",NA,NA
+"16048","2-Ethoxy-3-hydroxy-17alpha/beta-aminoestra-1,5(10)-triene, HCl salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-3-hydroxy-17.alpha./.beta.-aminoestra-1,3,5(10)...",NA,"CCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4N)C)O.Cl","WLCLWOSJZNBLRB-ZPTZPHRNSA-N",390222,NA,"PDBC16048","687454","Present",NA,NA
+"16049","2-Ethoxy-3-phenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,2-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-3-phenyl-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,2-a]pyridine",NA,"CCOC1=C(N2CCCCC2O1)C3=CC=CC=C3","MLJYIBWSHNAXMA-UHFFFAOYSA-N",386210,NA,"PDBC16049","677925","Present",NA,NA
+"16050","2-Ethoxy-4-[(E)-[2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-4-[(E)-[2-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol",NA,"CCOC1=C(C=CC(=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC(=C(C=C5)O)OCC)O","ZRHOLDGMPVFYAD-OCHFTUDZSA-N",135505246,NA,"PDBC16050","708415","Present",NA,NA
+"16051","2-Ethoxy-4-[(Z)-hydroxyiminomethyl]-6-[(E)-hydroxyiminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-4-[(Z)-hydroxyiminomethyl]-6-[(E)-hydroxyiminomethyl]phenol",NA,"CCOC1=CC(=CC(=C1O)C=NO)C=NO","DGUAXKOTIXOEKG-JTAXDKCCSA-N",135436332,NA,"PDBC16051","720188","Present",NA,NA
+"16052","2-Ethoxy-5-((4-methoxybenzylidene)amino)-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-5-((4-methoxybenzylidene)amino)-2,3-dihydro-1H-pyrrole-3,4-dicarbonitrile",NA,"CCOC1C(C(=C(N1)N=CC2=CC=C(C=C2)OC)C#N)C#N","KSCNNVYHYRIWMR-VXLYETTFSA-N",9571493,NA,"PDBC16052","672152","Present",NA,NA
+"16053","2-Ethoxy-6,7-dehydroestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-6,7-dehydroestra-1,3,5(10)-trien-3,17.beta.-diol",NA,"CCOC1=C(C=C2C=CC3C(C2=C1)CCC4(C3CCC4O)C)O","YUDPWHPTUOHTND-BKRJIHRRSA-N",388992,NA,"PDBC16053","684423","Present",NA,NA
+"16054","2-Ethoxy-6-(hydroxymethyl)-2H-pyran-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-2-(hydroxymethyl)-2h-pyran-3(6h)-one",NA,"CCOC1C=CC(=O)C(O1)CO","DSLXQUZNOYUOKK-UHFFFAOYSA-N",398342,NA,"PDBC16054","708062","Present",NA,NA
+"16055","2-Ethoxy-6-[(E)-[2-[[2-[(E)-(3-ethoxy-2-hydroxy-phenyl)methyleneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-6-[[2-[[2-[(3-ethoxy-2-hydroxyphenyl)methylideneamino]phenyl]disulfanyl]phenyl]iminomethyl]phenol",NA,"CCOC1=CC=CC(=C1O)C=NC2=CC=CC=C2SSC3=CC=CC=C3N=CC4=C(C(=CC=C4)OCC)O","KNJSEVWCSBBTTF-UHFFFAOYSA-N",386264,NA,"PDBC16055","678007","Present",NA,NA
+"16056","2-Ethoxy-6-hydroxyestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Estra-1,3,5(10)-triene-3,6,17.beta.-triol, 2-ethoxy-",NA,"CCOC1=C(C=C2C(CC3C(C2=C1)CCC4(C3CCC4O)C)O)O","ABGGECJHBPJFCE-QUZVSAKKSA-N",388671,NA,"PDBC16056","683688","Present",NA,NA
+"16057","2-Ethoxy-6-keto-estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-6-keto-estradiol",NA,"CCOC1=C(C=C2C(=O)CC3C(C2=C1)CCC4(C3CCC4O)C)O","CBJHVMQFLMDNFG-XRTCRYGSSA-N",386752,NA,"PDBC16057","679431","Present",NA,NA
+"16058","2-Ethoxy-6-oxoestra-1,5(10)-trien-3,17beta-diol, 6-tosylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-6-oxoestra-1,3,5(10)-trien-3,17.beta.-diol, 6-t...",NA,"CCOC1=C(C=C2C(=NNS(=O)(=O)C3=CC=C(C=C3)C)CC4C(C2=C1)CCC5(C4CCC5O)C)O","YEFYZUYMZYEVNF-PUVPYJCASA-N",9572004,NA,"PDBC16058","685231","Present",NA,NA
+"16059","2-Ethoxy-6-phenyl-5,6-dihydro-4H-1,3-thiazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-6-phenyl-5,6-dihydro-4H-1,3-thiazin-4-one",NA,"CCOC1=NC(=O)CC(S1)C2=CC=CC=C2","NJZDXTWIUZBSOT-UHFFFAOYSA-N",371482,NA,"PDBC16059","645760","Present",NA,NA
+"16060","2-Ethoxy-6alpha,3,5(10)-trien-3,17beta-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-6.alpha.,.beta.-amino-estra-1,3,5(10)-trien-3,1...",NA,"CCOC1=C(C=C2C(CC3C(C2=C1)CCC4(C3CCC4O)C)N)O.Cl","IPYMZOJNZHSHFF-ABAQYMTESA-N",387324,NA,"PDBC16060","681069","Present",NA,NA
+"16061","2-Ethoxy-N-methyl-N-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-4-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethoxy-N-methyl-N-(5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-4-yl)acetamide",NA,"CCOCC(=O)N(C)C1=CC=CC2=C1N(C3=C2CCCCC3)C","GHHPBTIYGUQHDG-UHFFFAOYSA-N",362834,NA,"PDBC16061","627204","Present",NA,NA
+"16062","2-Ethyl 3-[(6-ethyl, 5-(4-chlorophenyl) pyrimidin-2-yl)] quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-ethyl 3-[(6-ethyl, 4-amino, 5-(4-chlorophenyl) pyrimid...",NA,"CCC1=C(C(=NC(=N1)N2C(=NC3=CC=CC=C3C2=O)CC)N)C4=CC=C(C=C4)Cl","QBFNQOTVIHNUGO-UHFFFAOYSA-N",24202901,NA,"PDBC16062","726194","Present",NA,NA
+"16063","2-Ethyl 4,6-dimethyl 2-azabicyclo[2.2.2]oct-7-ene-2,4,6-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl 4,6-dimethyl 2-azabicyclo[2.2.2]oct-7-ene-2,4,6-tricarboxylate",NA,"CCOC(=O)N1CC2(CC(C1C=C2)C(=O)OC)C(=O)OC","HFNDOFREJAHKCB-UHFFFAOYSA-N",393314,NA,"PDBC16063","694979","Present",NA,NA
+"16064","2-Ethyl 6-methyl 3,5-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-thiomorpholinedicarboxylate 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl methyl 3,5-bis(4-nitrophenyl)thiomorpholine-2,6-dicarboxylate 1,1-dioxide",NA,"CCOC(=O)C1C(NC(C(S1(=O)=O)C(=O)OC)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)[N+](=O)[O-]","FVPWVBLGYHLKEH-UHFFFAOYSA-N",373601,NA,"PDBC16064","650205","Present",NA,NA
+"16065","2-Ethyl 6-methyl 3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2,6-thiomorpholinedicarboxylate 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-O-Ethyl 6-O-methyl 3-(2,4-dichlorophenyl)-5-(4-methylphenyl)-1,1-dioxo-1,4-thiazinane-2,6-dicarboxylate",NA,"CCOC(=O)C1C(NC(C(S1(=O)=O)C(=O)OC)C2=CC=C(C=C2)C)C3=C(C=C(C=C3)Cl)Cl","SJEOLIGCEZZSJQ-UHFFFAOYSA-N",373600,NA,"PDBC16065","650204","Present",NA,NA
+"16066","2-Ethyl 6-methyl 4-benzyl-3,5-bis(4-bromophenyl)-2,6-thiomorpholinedicarboxylate 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl 6-methyl 4-benzyl-3,5-bis(4-bromophenyl)-2,6-thiomorpholinedicarboxylate 1,1-dioxide",NA,"CCOC(=O)C1C(N(C(C(S1(=O)=O)C(=O)OC)C2=CC=C(C=C2)Br)CC3=CC=CC=C3)C4=CC=C(C=C4)Br","RGFYIXPHTFWCMP-UHFFFAOYSA-N",373602,NA,"PDBC16066","650206","Present",NA,NA
+"16067","2-Ethyl 6-methyl 4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl 6-methyl 4-methyl-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate",NA,"CCOC(=O)N1CC2(CC(C1C=C2)C(=O)OC)C","IIEDUDGRNQRRBV-UHFFFAOYSA-N",393311,NA,"PDBC16067","694976","Present",NA,NA
+"16068","2-Ethyl-1,2-benzothiazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-1,2-benzothiazol-3-one",NA,"CCN1C(=O)C2=CC=CC=C2S1","RTMDCQYUXWCPQG-UHFFFAOYSA-N",337889,NA,"PDBC16068","357895","Present",NA,NA
+"16069","2-Ethyl-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-ethyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide",NA,"CCC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","QFKUEEFRFIAMTK-UHFFFAOYSA-N",137630808,NA,"PDBC16069","788638","Present",NA,NA
+"16070","2-Ethyl-1,3-dineopentyl-4,6-diphenyl-1,3,2-diazaphosphinane 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-1,3-dineopentyl-4,6-diphenyl-1,3,2-diazaphosphinane 2-oxide",NA,"CCP1(=O)N(C(CC(N1CC(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3)CC(C)(C)C","KVOAHHNFPJZJCS-UHFFFAOYSA-N",395347,NA,"PDBC16070","699829","Present",NA,NA
+"16071","2-Ethyl-1-azabicyclo[2.2.2]oct-3-yl 3-hydroxy-3,3-diphenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-1-azabicyclo[2.2.2]oct-3-yl 3-hydroxy-3,3-diphenylpropanoate",NA,"CCC1C(C2CCN1CC2)OC(=O)CC(C3=CC=CC=C3)(C4=CC=CC=C4)O","LGCQVJSQUJNJEC-UHFFFAOYSA-N",380299,NA,"PDBC16071","665779","Present",NA,NA
+"16072","2-Ethyl-1H-benzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-1H-benzo[f]benzimidazole-4,9-dione",NA,"CCC1=NC2=C(N1)C(=O)C3=CC=CC=C3C2=O","BDRALAFPLKRVJQ-UHFFFAOYSA-N",225437,NA,"PDBC16072","14772","Present",NA,NA
+"16073","2-Ethyl-3-isopropyl-6-methyl-1,3,2-oxazaphosphinane 2-sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-ethyl-6-methyl-3-(1-methylethyl)-1,3,2-oxazaphosphinane 2-sulfide",NA,"CCP1(=S)N(CCC(O1)C)C(C)C","IHOQDODDPRGHAW-UHFFFAOYSA-N",395334,NA,"PDBC16073","699816","Present",NA,NA
+"16074","2-Ethyl-3-methyl-5,8-quinoxalinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-3-methyl-1,4-dihydroquinoxaline-5,8-dione",NA,"CCC1=NC2=C(C=CC(=C2N=C1C)O)O","FLWRSLKVPNXQCG-UHFFFAOYSA-N",135429854,NA,"PDBC16074","128832","Present",NA,NA
+"16075","2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone",NA,"CCC(C(=O)C1=CC=CS1)C(C(F)(F)F)(C(F)(F)F)O","NYGZGAZDWNXLMT-UHFFFAOYSA-N",294204,NA,"PDBC16075","162215","Present",NA,NA
+"16076","2-Ethyl-4-(dimethylamino)-5,6-dihydrobenzo[h]quinoline-3-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-dimethylamino-2-ethyl-5,6-dihydrobenzo[h]quinoline-3-carboxylate",NA,"CCC1=C(C(=C2CCC3=CC=CC=C3C2=N1)N(C)C)C(=O)OC","BTEVIFBNQOUTRG-UHFFFAOYSA-N",399193,NA,"PDBC16076","709855","Present",NA,NA
+"16077","2-Ethyl-4-methyl-1-((4-methylphenyl)sulfonyl)-1,2,3,6-tetrahydropyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-4-methyl-1-((4-methylphenyl)sulfonyl)-1,2,3,6-tetrahydropyridine",NA,"CCC1CC(=CCN1S(=O)(=O)C2=CC=C(C=C2)C)C","XHZFNIJPUOVAET-UHFFFAOYSA-N",364717,NA,"PDBC16077","631375","Present",NA,NA
+"16078","2-Ethyl-5-(12-tridecenyl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-5-(12-tridecenyl)pyrrolidine",NA,"CCC1CCC(N1)CCCCCCCCCCCC=C","PXXOCCKIKHYKDO-UHFFFAOYSA-N",370505,NA,"PDBC16078","643726","Present",NA,NA
+"16079","2-Ethyl-5-tridecylpyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-5-tridecylpyrrolidine",NA,"CCCCCCCCCCCCCC1CCC(N1)CC","DRZNECYKTJYDIR-UHFFFAOYSA-N",370504,NA,"PDBC16079","643725","Present",NA,NA
+"16080","2-Ethyl-6-(4-morpholinyl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-6-(4-morpholinyl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine",NA,"CCC1=NC(N=C(O1)N2CCOCC2)(C(F)(F)F)C(F)(F)F","HRILLCCOHQOIEL-UHFFFAOYSA-N",383684,NA,"PDBC16080","672102","Present",NA,NA
+"16081","2-Ethyl-7-methoxycyclohepta[cd][1]benzofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-7-methoxycyclohepta[cd][1]benzofuran",NA,"CCC1=C2C=CC=CC3=C(C=CC(=C32)O1)OC","CHAVGDBTMCKJIS-UHFFFAOYSA-N",361608,NA,"PDBC16081","624793","Present",NA,NA
+"16082","2-Ethyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-4-amine",NA,"CCC1=CC2=C(C3=C(CCCC3)N=C2S1)NC4=CC=CC=C4","BQOPARLZERGKDO-UHFFFAOYSA-N",365483,NA,"PDBC16082","633116","Present",NA,NA
+"16083","2-Ethylaminoestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethylaminoestradiol",NA,"CCNC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","PVHIGKNDYZNZIH-BKRJIHRRSA-N",384235,NA,"PDBC16083","673652","Present",NA,NA
+"16084","2-Ethyloxy-3-[(4-acetylphenylamino)-methylene]-chroman-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-ethyloxy-3-[(4-acetylphenylamino)-methylene]-chroman-4...",NA,"CCOC1C(=CNC2=CC=C(C=C2)C(=O)C)C(=O)C3=CC=CC=C3O1","PNUKRFQQTRQSFG-ATVHPVEESA-N",6106159,NA,"PDBC16084","732267","Present",NA,NA
+"16085","2-Ethylsulfanylnaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-Pf-2144",NA,"CCSC1=CC(=O)C2=CC=CC=C2C1=O","JTIVMHQHPSUHGV-UHFFFAOYSA-N",241362,NA,"PDBC16085","48648","Present",NA,NA
+"16086","2-Ethylthioestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethylthioestradiol",NA,"CCSC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","OBPZKZMDIDKGHG-BKRJIHRRSA-N",384791,NA,"PDBC16086","675243","Present",NA,NA
+"16087","2-Ethynyl-5-[4-[4-(2-ethynyl-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl)phenoxy]phenyl]-4,6,7-triphenyl-isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-(4,4'-oxybis(4,1-phenylene))bis(2-ethynyl-4,5,7-tri...",NA,"C#CN1C(=O)C2=C(C1=O)C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)OC6=CC=C(C=C6)C7=C(C8=C(C(=C7C9=CC=CC=C9)C1=CC=CC=C1)C(=O)N(C8=O)C#C)C1=CC=CC=C1)C1=CC=CC=C1","KADJURAMSVHGQX-UHFFFAOYSA-N",16129767,NA,"PDBC16087","633252","Present",NA,NA
+"16088","2-Ethynyl-5-methoxybenzo-1,4-quinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YNS772IK61",NA,"COC1=CC(=O)C(=CC1=O)C#C","ISBDNZMXGHATOW-UHFFFAOYSA-N",342085,NA,"PDBC16088","377174","Present",NA,NA
+"16089","2-Ferrocenyl-1-(4-hydroxyphenyl)-1-(4-dimethylaminopropo...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ferrocenyl-1-(4-hydroxyphenyl)-1-(4-dimethylaminopropo...",NA,NA,NA,NA,NA,"PDBC16089","785323","Present",NA,NA
+"16090","2-Fluoren-9-ylidenemethyl-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756818",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=CC=N4","WKMNILFJGKLWSI-UHFFFAOYSA-N",256447,NA,"PDBC16090","83321","Present",NA,NA
+"16091","2-Fluoro-2,2-dinitroethyl carbonate(2:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C5H4F2N4O11",NA,"C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])F","BPMXMXFLNKOZJI-UHFFFAOYSA-N",88647,NA,"PDBC16091","312449","Present",NA,NA
+"16092","2-Fluoro-3,4-dimethyl-2,5-diphenyl-1-oxa-3-aza-2-boranuidacyclopentane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Fluoro-3,4-dimethyl-2,5-diphenyl-1-oxa-3-aza-2-boranuidacyclopentane",NA,NA,NA,NA,NA,"PDBC16092","656973","Present",NA,NA
+"16093","2-Fluoro-4-(5-phenylthiophen-2-yl)benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774663",NA,"C1=CC=C(C=C1)C2=CC=C(S2)C3=CC(=C(C=C3)C(=N)N)F","NXCMIFBJUTWPEV-UHFFFAOYSA-N",137657684,NA,"PDBC16093","774663","Present",NA,NA
+"16094","2-Fluoro-4-(5-thiophen-2-ylthiophen-2-yl)benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772438",NA,"C1=CSC(=C1)C2=CC=C(S2)C3=CC(=C(C=C3)C(=N)N)F","PCGUXRGVXOFWND-UHFFFAOYSA-N",137643056,NA,"PDBC16094","772438","Present",NA,NA
+"16095","2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Fluoro-4-(fluorosulfonyl)phenyl 2-chlorobenzoate",NA,"C1=CC=C(C(=C1)C(=O)OC2=C(C=C(C=C2)S(=O)(=O)F)F)Cl","DPOWUNNQCFYECG-UHFFFAOYSA-N",305659,NA,"PDBC16095","202695","Present",NA,NA
+"16096","2-Fluoro-8-benzyloxy-7-metoxy1,3,11a tetrahydro pyrrolo[2,1-c][1,4]benzodiazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Fluoro-8-benzyloxy-7-metoxy1,2,3,11a tetrahydro pyrrol...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)F)OCC4=CC=CC=C4","IILIWQUYOBHKAQ-CABCVRRESA-N",24203384,NA,"PDBC16096","727725","Present",NA,NA
+"16097","2-Fluoro-8-hydroxy-7-methoxy-1,3,11a-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Fluoro-8-hydroxy-7-methoxy-1,2,3,11a- tetrahydropyrrol...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(CC3C=N2)F)O","KJOULUMUODMRMP-SFYZADRCSA-N",24203385,NA,"PDBC16097","727726","Present",NA,NA
+"16098","2-Fluoro-N-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Fluoro-N-(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzamide",NA,"C1=CC=C(C(=C1)C(=O)NC2=C(NC(=S)NC2=O)O)F","LJOBJFLOHLPMEN-UHFFFAOYSA-N",3783038,NA,"PDBC16098","645846","Present",NA,NA
+"16099","2-Fluorooctadec-9-ynoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Fluorooctadec-9-ynoic acid",NA,"CCCCCCCCC#CCCCCCCC(C(=O)O)F","VAELZRLESYJUQL-UHFFFAOYSA-N",389034,NA,"PDBC16099","684580","Present",NA,NA
+"16100","2-Fluorotetradec-11-ynoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Fluorotetradec-11-ynoic acid",NA,"CCC#CCCCCCCCCC(C(=O)O)F","VOYDXDPCGKRZSZ-UHFFFAOYSA-N",389035,NA,"PDBC16100","684581","Present",NA,NA
+"16101","2-Fluorphenylhydrazone alpha-lapachone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-fluorphenylhydrazone alpha-lapachone",NA,"CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=CC=C4F)O)C","UJMDOLDWRXRKOO-UHFFFAOYSA-N",405066,NA,"PDBC16101","721945","Present",NA,NA
+"16102","2-Formamido-3-(1H-imidazol-5-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Formylhistidine",NA,"C1=C(NC=N1)CC(C(=O)O)NC=O","WFQVSLVQIFFQQN-UHFFFAOYSA-N",333452,NA,"PDBC16102","334340","Present",NA,NA
+"16103","2-Formamido-9-fluorenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Formamido-9-fluorenone",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)NC=O","VERIQMZSHJWSCP-UHFFFAOYSA-N",349152,NA,"PDBC16103","408726","Present",NA,NA
+"16104","2-Formyl-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Formyl-3-hydroxy-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)NC3=C(C(=C(C(=O)N23)C=O)O)C#N","CGJRVXGWMAWIBZ-UHFFFAOYSA-N",135409142,NA,"PDBC16104","659486","Present",NA,NA
+"16105","2-Formyl-4,17-dihydroxy-17alpha-methyl-4-androsten-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Formyl-4,17-dihydroxy-17.alpha.- methyl-4-androsten-3-one",NA,"CC12CCC3C(C1CCC2(C)O)CCC4=C(C(=O)C(CC34C)C=O)O","LEIGUHHGMIZNEC-DZWPSQHGSA-N",6711427,NA,"PDBC16105","626409","Present",NA,NA
+"16106","2-Formylnaphtho[2,3-b]furan-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H,9H-Naphtho[2,3-b]furan-2-carboxaldehyde, 4,9-dioxo-",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC(=C3)C=O","UADBPJPLVDEBOC-UHFFFAOYSA-N",396286,NA,"PDBC16106","701984","Present",NA,NA
+"16107","2-Formylphenylboronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-formylphenylboronic acid",NA,"B(C1=CC=CC=C1C=O)(O)O","DGUWACLYDSWXRZ-UHFFFAOYSA-N",292189,NA,"PDBC16107","157839","Present",NA,NA
+"16108","2-Formylpyridine, diethylthiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-formylpyridine, diethylthiosemicarbazone",NA,"CCN(CC)C(=S)NN=CC1=CC=CC=N1","QVEJUAHZDHVQOV-UKTHLTGXSA-N",9554745,NA,"PDBC16108","673833","Present",NA,NA
+"16109","2-Furaldehyde N-(1-adamantyl)thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Furaldehyde N-(1-adamantyl)thiosemicarbazone",NA,"C1C2CC3CC1CC(C2)(C3)NC(=S)NN=CC4=CC=CO4","ITGYCJJRFKQABH-LICLKQGHSA-N",9569872,NA,"PDBC16109","622622","Present",NA,NA
+"16110","2-Furancarboxaldehyde, (5-hydroxy-6-methyl-1,2,4-triazin-3-yl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Furancarboxaldehyde, 5-nitro-, (5-hydroxy-6-methyl- 1,...",NA,"CC1=NN=C(NC1=O)NN=CC2=CC=C(O2)[N+](=O)[O-]","HOLJAJCUZJZLJK-ONNFQVAWSA-N",135455470,NA,"PDBC16110","607568","Present",NA,NA
+"16111","2-Furancarboxamide, N-[(4-methyl-1-piperazinyl)thioxomethyl]-N-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Furancarboxamide, N-[(4-methyl-1-piperazinyl)thioxomethyl]-N-phenyl-",NA,"CN1CCN(CC1)C(=S)N(C2=CC=CC=C2)C(=O)C3=CC=CO3","CEHLJIIQIJKHFN-UHFFFAOYSA-N",376051,NA,"PDBC16111","656450","Present",NA,NA
+"16112","2-Furancarboxamide, N-methyl-N-[[4-(2-pyridinyl)-1-piperazinyl]thioxomethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Furancarboxamide, N-methyl-N-[[4-(2-pyridinyl)-1-piperazinyl]thioxomethyl]-",NA,"CN(C(=O)C1=CC=CO1)C(=S)N2CCN(CC2)C3=CC=CC=N3","SDNKPARPWRJSEK-UHFFFAOYSA-N",376063,NA,"PDBC16112","656462","Present",NA,NA
+"16113","2-Furoyl-6-chloro-3-trifluoromethylquinoxaline-4-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-furoyl-6-chloro-3-trifluoromethylquinoxaline-4-oxide",NA,"C1=COC(=C1)C(=O)C2=NC3=C(C=C(C=C3)Cl)[N+](=C2C(F)(F)F)[O-]","MAZLDAHIYJQJJI-UHFFFAOYSA-N",54612698,NA,"PDBC16113","740113","Present",NA,NA
+"16114","2-Furoyl-7-chloro-3-trifluoromethylquinoxaline-4-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-furoyl-7-chloro-3-trifluoromethylquinoxaline-4-oxide",NA,"C1=COC(=C1)C(=O)C2=NC3=C(C=CC(=C3)Cl)[N+](=C2C(F)(F)F)[O-]","HVNVOGUKPMBICO-UHFFFAOYSA-N",54612695,NA,"PDBC16114","740117","Present",NA,NA
+"16115","2-Furoyl-7-methoxy-3-trifluoromethylquinoxaline 4-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-furoyl-7-methoxy-3-trifluoromethylquinoxaline 4-oxide",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=N2)C(=O)C3=CC=CO3)C(F)(F)F)[O-]","UTHUFMUZSKJVTJ-UHFFFAOYSA-N",54612697,NA,"PDBC16115","740116","Present",NA,NA
+"16116","2-Furyl(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Furyl(2-(4-hydroxy-6-methyl-2-pyrimidinyl)hydrazino)acetonitrile",NA,"CC1=CC(=O)NC(=N1)NNC(C#N)C2=CC=CO2","DOORNDGPAREHLQ-UHFFFAOYSA-N",135409028,NA,"PDBC16116","653837","Present",NA,NA
+"16117","2-Furyl(3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Furyl(3-(1-hydroxy-2-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)methanone",NA,"C1C(NN=C1C2=C(C3=CC=CC=C3C=C2)O)C(=O)C4=CC=CO4","IDVNROMRLWPYQD-UHFFFAOYSA-N",390443,NA,"PDBC16117","687797","Present",NA,NA
+"16118","2-Furyl(3-(2-hydroxy-1-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Furyl(3-(2-hydroxy-1-naphthyl)-4,5-dihydro-1H-pyrazol-5-yl)methanone",NA,"C1C(NN=C1C2=C(C=CC3=CC=CC=C32)O)C(=O)C4=CC=CO4","CITTZBMKJZEOJE-UHFFFAOYSA-N",390435,NA,"PDBC16118","687789","Present",NA,NA
+"16119","2-Furylidene-1,3-indanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Furylidene-1,3-indanedione",NA,"C1CCC2C(C1)C(=O)C(=CC3=CC=CO3)C2=O","IVEWSCQJZRUAHP-UHFFFAOYSA-N",378253,NA,"PDBC16119","660146","Present",NA,NA
+"16120","2-Heptadecyl-6-(2-methoxyethoxymethoxy)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Heptadecyl-6-(2-methoxyethoxymethoxy)benzoic acid",NA,"CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCOCCOC)C(=O)O","JKQZMBTXYNWJGQ-UHFFFAOYSA-N",391580,NA,"PDBC16120","691035","Present",NA,NA
+"16121","2-Hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hexadecyl-1,3,3a,4,5,6,7,7a-octahydroisoindole",NA,"CCCCCCCCCCCCCCCCN1CC2CCCCC2C1.Cl","PQZTYLAUUUKTOE-UHFFFAOYSA-N",54609620,NA,"PDBC16121","55236","Present",NA,NA
+"16122","2-Hexadecyl-6-methoxycyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hexadecyl-6-methoxycyclohexa-2,5-diene-1,4-dione",NA,"CCCCCCCCCCCCCCCCC1=CC(=O)C=C(C1=O)OC","MDYDMMGYPKQVFN-UHFFFAOYSA-N",356666,NA,"PDBC16122","613470","Present",NA,NA
+"16123","2-Hexanone thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hexanone thiosemicarbazone",NA,"CCCCC(=NNC(=S)N)C","XXTYEHAVDCMHGU-RMKNXTFCSA-N",9569943,NA,"PDBC16123","627222","Present",NA,NA
+"16124","2-Hexyn-1-ol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hexyn-1-ol, 6-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-",NA,"CC(C)(C)[Si](C)(C)OCCCC#CCO","OJYMJJDYXKQEIG-UHFFFAOYSA-N",359271,NA,"PDBC16124","619987","Present",NA,NA
+"16125","2-Hydrazino-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_001604",NA,"C1=CC=C2C(=C1)N=C(O2)NN","QITJGSMHKVXOFR-UHFFFAOYSA-N",303862,NA,"PDBC16125","193633","Present",NA,NA
+"16126","2-Hydrazino-2-oxo-N-(2-pyrimidinyl)ethanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Compound 329379",NA,"C1=CN=C(N=C1)NS(=O)(=O)CC(=O)NN","JWKQWTGJNPBXBN-UHFFFAOYSA-N",332522,NA,"PDBC16126","329379","Present",NA,NA
+"16127","2-Hydrazinobenzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzothiazolohydrazine",NA,"C1=CC=C2C(=C1)N=C(S2)NN","JYSUYJCLUODSLN-UHFFFAOYSA-N",11988,NA,"PDBC16127","3271","Present",NA,NA
+"16128","2-Hydrazinyl-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydrazinyl-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile",NA,"CN1C(=O)C(=C(N=C1NN)C2=CC=C(C=C2)[N+](=O)[O-])C#N","HJHPZHGAAVMODS-UHFFFAOYSA-N",5472885,NA,"PDBC16128","722272","Present",NA,NA
+"16129","2-Hydrazinyl-6-[(E)-2-phenylethenyl]cyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydrazinyl-6-[(E)-2-phenylethenyl]cyclohepta-2,4,6-trien-1-one",NA,"C1=CC=C(C=C1)C=CC2=CC(=O)C(=CC=C2)NN","SUNOPNYHLKRKHR-MDZDMXLPSA-N",6267649,NA,"PDBC16129","101003","Present",NA,NA
+"16130","2-Hydrazinyl-N-[(Z)-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydrazinyl-N-[(Z)-[2-(3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]-2-oxoacetamide",NA,"COC1=CC=C(C=C1)C(C(=NNC(=O)C(=O)NN)C2=CC=C(C=C2)OC)C3(C4=CC=CC=C4NC3=O)O","DFAJOONFMDUHTE-JBASAIQMSA-N",6163570,NA,"PDBC16130","618452","Present",NA,NA
+"16131","2-Hydroxy discorhabdin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy discorhabdin D",NA,"C1C[N+]2=C3C4=C1C=NC4=C(C5=C3C67CC(N5)SC6=CC(=O)C2(C7)O)O.[Cl-]","VVCRENDCBPKIRI-NBMOHRBMSA-N",362391,NA,"PDBC16131","626161","Present",NA,NA
+"16132","2-Hydroxy-1,2,2-tri(1H-indol-2-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1,2,2-tri(1H-indol-2-yl)ethanone",NA,"C1=CC=C2C(=C1)C=C(N2)C(=O)C(C3=CC4=CC=CC=C4N3)(C5=CC6=CC=CC=C6N5)O","PZTUXCCLBIOISZ-UHFFFAOYSA-N",372681,NA,"PDBC16132","648214","Present",NA,NA
+"16133","2-Hydroxy-1,2-diphenylethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1,2-diphenylethanesulfonic acid",NA,"C1=CC=C(C=C1)C(C(C2=CC=CC=C2)S(=O)(=O)O)O","ZUZCEPDMQCVPET-UHFFFAOYSA-N",242034,NA,"PDBC16133","50145","Present",NA,NA
+"16134","2-Hydroxy-1,5,7-trimethyl-N-(2-naphthyl)-4-oxo-3-azabicyclo[3.3.1]nonane-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1,5,7-trimethyl-N-(2-naphthyl)-4-oxo-3-azabicyclo[3.3.1]nonane-7-carboxamide",NA,"CC12CC(CC(C1)(C)C(=O)NC3=CC4=CC=CC=C4C=C3)(C(=O)NC2O)C","QVECYZNLDSHKCT-UHFFFAOYSA-N",361784,NA,"PDBC16134","625051","Present",NA,NA
+"16135","2-Hydroxy-1-(3-hydroxy-2-quinoxalinyl)-2-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1-(3-hydroxy-2-quinoxalinyl)-2-phenylethanone",NA,"C1=CC=C(C=C1)C(C(=O)C2=NC3=CC=CC=C3NC2=O)O","WGYSUDMEMARFEQ-UHFFFAOYSA-N",369642,NA,"PDBC16135","641597","Present",NA,NA
+"16136","2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethanone hydroxyhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1Z)-2-Hydroxy-1-(6-nitro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-(4-nitrophenyl)ethyl]nitrous amide",NA,"C1=CC(=CC=C1C(C(=C2C(=O)NC3=C(N2)C=CC(=C3)[N+](=O)[O-])NN=O)O)[N+](=O)[O-]","GWWDNFDZQQPVBR-YPKPFQOOSA-N",5465182,NA,"PDBC16136","641814","Present",NA,NA
+"16137","2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-hydroxy-3-methoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Hydroxy(4-hydroxy-3-methoxyphenyl)acetyl]-7-nitroquinoxalin-2(1H)-one",NA,"COC1=C(C=CC(=C1)C(C(=O)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)O","ABDBCTPFDMLPIC-UHFFFAOYSA-N",369644,NA,"PDBC16137","641599","Present",NA,NA
+"16138","2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(p-tolyl)ethanone hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2-(p-tolyl)ethanone hydrazone",NA,"CC1=CC=C(C=C1)C(C(=NN)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O","BHJGXHBRCHDZJQ-KGENOOAVSA-N",135499264,NA,"PDBC16138","647582","Present",NA,NA
+"16139","2-Hydroxy-1-morpholin-4-ylmethyl-5-p-tolyl-11,6]cyclohepta[1,2-b]indol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1-morpholin-4-ylmethyl-5-p-tolyl-11,12-dihydro...",NA,"CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN6CCOCC6","RDDIETKPKJIJDX-UHFFFAOYSA-N",24205419,NA,"PDBC16139","735469","Present",NA,NA
+"16140","2-Hydroxy-1-naphthaldehyde (5-nitro-2-pyridyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-94160",NA,"C1=CC=C2C(=C1)C=CC(=C2C=NNC3=NC=C(C=C3)[N+](=O)[O-])O","HGHRJXYLWZISLR-VCHYOVAHSA-N",135408599,NA,"PDBC16140","52426","Present",NA,NA
+"16141","2-Hydroxy-1-naphthaldehyde oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1-naphthaldehyde oxime",NA,"C1=CC=C2C(=C1)C=CC(=C2C=NO)O","VPTYRUGUZUYAGZ-GHXNOFRVSA-N",135441727,NA,"PDBC16141","402344","Present",NA,NA
+"16142","2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone",NA,"C1=CC=C2C(=C1)C=CC(=C2C=NNC(=O)C3=CC=NC=C3)O","WQSHHAVECQJKLX-ODLFYWEKSA-N",135408575,NA,"PDBC16142","51355","Present",NA,NA
+"16143","2-Hydroxy-1-phenylethanesulfonic acid;phenylmethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1-phenylethanesulfonic acid;phenylmethanesulfonic acid",NA,"C1=CC=C(C=C1)CS(=O)(=O)O.C1=CC=C(C=C1)C(CO)S(=O)(=O)O","SPWMGCSQEXNHTK-UHFFFAOYSA-N",413606,NA,"PDBC16143","50137","Present",NA,NA
+"16144","2-Hydroxy-1-piperidin-1-ylmethyl-5-p-tolyl-11,6]cyclohepta[1,2-b]indol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1-piperidin-1-ylmethyl-5-p-tolyl-11,12-dihydro...",NA,"CC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN6CCCCC6","HWAXMFSRLXMUMM-UHFFFAOYSA-N",24205417,NA,"PDBC16144","735467","Present",NA,NA
+"16145","2-Hydroxy-17beta-estradiol triacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,17.beta.-Triacetyloxyestra-1,3,5(10)-triene",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)C","STVSYWGMQNUXIG-JFDOVZFRSA-N",387661,NA,"PDBC16145","681682","Present",NA,NA
+"16146","2-Hydroxy-2,2-bis(4-phenylphenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di[1,1'-biphenyl]-4-yl(hydroxy)acetic acid",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)(C(=O)O)O","ZAINQWJQOUCQDK-UHFFFAOYSA-N",231631,NA,"PDBC16146","28086","Present",NA,NA
+"16147","2-Hydroxy-2,3-dihydro-1H,9H-pyrazolo[1,2-a]indazol-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-2,3-dihydro-1H-pyrazolo[1,2-a]indazol-5-one",NA,"C1C(CN2N1C3=CC=CC=C3C2=O)O","KEWOROKNYKKUFU-UHFFFAOYSA-N",363510,NA,"PDBC16147","628442","Present",NA,NA
+"16148","2-Hydroxy-2,3-dimethylbutanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMFA01050470",NA,"CC(C(=O)O)C(C)(C(=O)O)O","WTIIULQJLZEHGZ-UHFFFAOYSA-N",392323,NA,"PDBC16148","692599","Present",NA,NA
+"16149","2-Hydroxy-2,6,6-trimethyl-norpinan-3-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C-Type Natriuretic Peptide (1-53) (human)",NA,"CC1(C2CC1C(C(=NO)C2)(C)O)C","MFPCIFGOPFVBDU-DHZHZOJOSA-N",9571413,NA,"PDBC16149","656399","Present",NA,NA
+"16150","2-Hydroxy-2-(1-methoxy-1-methylethyl)-5-methylcyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-2-(1-methoxy-1-methylethyl)-5-methylcyclohexanone",NA,"CC1CCC(C(=O)C1)(C(C)(C)OC)O","BHLUHWXCQDNTHP-UHFFFAOYSA-N",377299,NA,"PDBC16150","658701","Present",NA,NA
+"16151","2-Hydroxy-2-(13-methyl-3-oxo-2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yloxy)-1H-indene-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-hydroxy-2-(13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,...",NA,"CC12CCC3C(C1CCC2OC4(C(=O)C5=CC=CC=C5C4=O)O)CCC6=CC(=O)CCC36","PSDYWXVFQWCFEU-HGGWUUEHSA-N",54609725,NA,"PDBC16151","72254","Present",NA,NA
+"16152","2-Hydroxy-2-(4-hydroxy-3-methoxy-phenyl)-1-(6-nitroquinoxalin-2-yl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(6-nitroquinoxalin-2-yl)ethanone",NA,"COC1=C(C=CC(=C1)C(C(=O)C2=CN=C3C=C(C=CC3=N2)[N+](=O)[O-])O)O","SVZARLQVPMDYQQ-UHFFFAOYSA-N",372013,NA,"PDBC16152","646829","Present",NA,NA
+"16153","2-Hydroxy-2-isopropyl-3-pentynoic acid 3-quinuclidinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-102307",NA,"CC#CC(C(C)C)(C(=O)OC1CN2CCC1CC2)O","PIQGPSJRLJWWML-UHFFFAOYSA-N",380281,NA,"PDBC16153","665761","Present",NA,NA
+"16154","2-Hydroxy-3-((8-hydroxy-7-quinolinyl)(4-methoxyphenyl)methyl)-6-isopropyl-2,4,6-cycloheptatrien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-3-[(8-hydroxyquinolin-7-yl)-(4-methoxyphenyl)methyl]-6-propan-2-ylcyclohepta-2,4,6-trien-1-one",NA,"CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C4=C(C=CC=N4)C=C3)O)O","FEMXFSMHWCFXMA-UHFFFAOYSA-N",361375,NA,"PDBC16154","624401","Present",NA,NA
+"16155","2-Hydroxy-3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-octanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-3-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-octanenitrile",NA,"CCCCCC(C(C#N)O)C(C(F)(F)F)(C(F)(F)F)O","XPNRJHDSUWETBF-UHFFFAOYSA-N",293389,NA,"PDBC16155","159951","Present",NA,NA
+"16156","2-Hydroxy-3-(4-isopropylphenyl)maleic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-hydroxy-3-(4-isopropylphenyl)maleic acid",NA,"CC(C)C1=CC=C(C=C1)C(=C(C(=O)O)O)C(=O)O","WMOQTICHUCHXHX-ZHACJKMWSA-N",54677781,NA,"PDBC16156","85176","Present",NA,NA
+"16157","2-Hydroxy-3-(4-methylsulfanylphenyl)cyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-hydroxy-7-(4-(methylthio)phenyl)cyclohepta-2,4,6-trien...",NA,"CSC1=CC=C(C=C1)C2=C(C(=O)C=CC=C2)O","UMSXBYISMXZWMB-UHFFFAOYSA-N",155812109,NA,"PDBC16157","794224","Present",NA,NA
+"16158","2-Hydroxy-3-(octyloxy)propyl octanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-hydroxy-3-octoxy-propyl) octanoate",NA,"CCCCCCCCOCC(COC(=O)CCCCCCC)O","AYMGIXDJGRYRBU-UHFFFAOYSA-N",372443,NA,"PDBC16158","647557","Present",NA,NA
+"16159","2-Hydroxy-3-[3-(4-chlorophenyl)propenoyl]cyclohepta-2,4,6-triene-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 3-(4-chlorophenyl)-1-(1-hydroxy-7-oxo- 1...",NA,"C1=CC(=C(C(=O)C=C1)O)C(=O)C=CC2=CC=C(C=C2)Cl","JQEWCOHNNUNQRQ-JXMROGBWSA-N",5918418,NA,"PDBC16159","356777","Present",NA,NA
+"16160","2-Hydroxy-3-phenyl-4-quinolinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRMBNLSSFPEYML-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3NC2=O)C(=O)O","BRMBNLSSFPEYML-UHFFFAOYSA-N",380410,NA,"PDBC16160","665932","Present",NA,NA
+"16161","2-Hydroxy-3-phenylpyrimido[1,2-a]benzimidazol-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-3-phenylpyrimido[1,2-a]benzimidazol-4(1H)-one",NA,"C1=CC=C(C=C1)C2=C(N3C4=CC=CC=C4N=C3NC2=O)O","DLXIROQVXDDQKE-UHFFFAOYSA-N",135408929,NA,"PDBC16161","645925","Present",NA,NA
+"16162","2-Hydroxy-3-pyridin-2-ylpropanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC49848",NA,"C1=CC=NC(=C1)CC(C(=O)O)O.Cl","BUKSODWJMZMMJQ-UHFFFAOYSA-N",54598794,NA,"PDBC16162","49848","Present",NA,NA
+"16163","2-Hydroxy-4'-aminochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-4'-aminochalcone",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)N)O","UEOFDRZQHLTIIF-JXMROGBWSA-N",5387160,NA,"PDBC16163","621369","Present",NA,NA
+"16164","2-Hydroxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxo(2,3-dimethylbutane-2,3-diolato)borone(III)",NA,"B1(OC(C(O1)(C)C)(C)C)O","ZZPNDIHOQDQVNU-UHFFFAOYSA-N",368290,NA,"PDBC16164","638835","Present",NA,NA
+"16165","2-Hydroxy-4,4-dimethyl-6-oxo-N-thiophen-2-ylcyclohexene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Hydroxy(thiophen-2-ylamino)methylidene]-5,5-dimethylcyclohexane-1,3-dione",NA,"CC1(CC(=C(C(=O)C1)C(=O)NC2=CC=CS2)O)C","LENYKBVLHFAGSS-UHFFFAOYSA-N",54704006,NA,"PDBC16165","645855","Present",NA,NA
+"16166","2-Hydroxy-4-(4-methoxyphenyl)-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678092///NSC678094",NA,"COC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)C3C(C(C(C(O3)CO)O)O)O)C#N","BQXQWXPZIOPCRD-UHFFFAOYSA-N",386318,NA,"PDBC16166","678092///678094","Present",NA,NA
+"16167","2-Hydroxy-4-({[5-(2-hydroxyphenyl)-2-thioxo-2,3, 4-oxadiazol-3-yl]methyl}amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-hydroxy-4-({[5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-...",NA,"C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC(=C(C=C3)C(=O)O)O)O","OVJINXMEGSUXQF-UHFFFAOYSA-N",135585523,NA,"PDBC16167","731995","Present",NA,NA
+"16168","2-Hydroxy-4-[(2,4,6-triaminopyrimidin-5-yl)diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-4-((2,4,6-triamino-5-pyrimidinyl)diazenyl)benzoic acid",NA,"C1=CC(=C(C=C1N=NC2=C(N=C(N=C2N)N)N)O)C(=O)O","UWKYCZZYRPDTJU-UHFFFAOYSA-N",272662,NA,"PDBC16168","117285","Present",NA,NA
+"16169","2-Hydroxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-4-(p-tolylsulfonylcarbamoylamino)benzoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC(=C(C=C2)C(=O)O)O","BDWHAGWDKYBQAR-UHFFFAOYSA-N",395827,NA,"PDBC16169","700719","Present",NA,NA
+"16170","2-Hydroxy-4-[(E)-[(4-methoxyphenyl)hydrazono]methyl]-6,6-dimethyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]-6,6-dimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,"CC1(C=C(C(=C(C1(C#N)C#N)O)C#N)C=NNC2=CC=C(C=C2)OC)C","RRMAOKSQYNDGON-AUEPDCJTSA-N",6165240,NA,"PDBC16170","672217","Present",NA,NA
+"16171","2-Hydroxy-4-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-4-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid",NA,"C1=CC=C2C(=C1)C(=O)C(=CNC3=CC(=C(C=C3)C(=O)O)O)C(O2)O","VNIIWSZMMVFLNF-XYOKQWHBSA-N",23245656,NA,"PDBC16171","747803","Present",NA,NA
+"16172","2-Hydroxy-4-methyl-1-(4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)-2H-pyrrol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-4-methyl-1-(4-methyl-5-oxo-1,2-dihydropyrrol-2-yl)-2H-pyrrol-5-one",NA,"CC1=CC(NC1=O)N2C(C=C(C2=O)C)O","NRRUIDNYDPVJEP-UHFFFAOYSA-N",361710,NA,"PDBC16172","624951","Present",NA,NA
+"16173","2-Hydroxy-4-methyl-2,4,6-cycloheptatrien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methyltropolone",NA,"CC1=CC(=O)C(=CC=C1)O","OTXSBWFUHZIFLR-UHFFFAOYSA-N",11424,NA,"PDBC16173","628999","Present",NA,NA
+"16174","2-Hydroxy-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3,5-dicarbonitrile",NA,"CC1=CC=C(C=C1)N2C(=C(C(=C(C2=O)C#N)SC)C#N)O","IFXVUSRMEVFKAE-UHFFFAOYSA-N",392133,NA,"PDBC16174","692013","Present",NA,NA
+"16175","2-Hydroxy-4-methylsulfanyl-6-sulfanyl-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MSSAIFDJGUDNBX-UHFFFAOYSA-N",NA,"CSC1=C(C(=O)NC(=C1C#N)S)C#N","MSSAIFDJGUDNBX-UHFFFAOYSA-N",392158,NA,"PDBC16175","692038","Present",NA,NA
+"16176","2-Hydroxy-4-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678091///NSC678093",NA,"C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)C3C(C(C(C(O3)CO)O)O)O)C#N","MIGKUGXSGNRSDC-UHFFFAOYSA-N",386317,NA,"PDBC16176","678091///678093","Present",NA,NA
+"16177","2-Hydroxy-5,6,7,8-tetrahydroquinoline-3,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK694145",NA,"C1CCC2=C(C1)C(=C(C(=O)N2)C#N)C#N","JLYGHCBJFDQYBY-UHFFFAOYSA-N",387811,NA,"PDBC16177","681883","Present",NA,NA
+"16178","2-Hydroxy-5-(4-methoxyphenyl)-11H-benzo[b]carbazol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-(4-methoxyphenyl)-5,11-dihydro-6h-benzo[b]carbazol-6-one",NA,"COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4","RWGKMWMTDQXQHF-UHFFFAOYSA-N",403883,NA,"PDBC16178","719416","Present",NA,NA
+"16179","2-Hydroxy-5-(4-methoxyphenyl)benzo[b]carbazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-(4-methoxyphenyl)-5h-benzo[b]carbazole-6,11-dione",NA,"COC1=CC=C(C=C1)N2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O","MPGVIOWYTHZIOG-UHFFFAOYSA-N",404490,NA,"PDBC16179","720726","Present",NA,NA
+"16180","2-Hydroxy-5-(4methoxyphenyl)-1-morpholin-4-ylmethyl-11,6]cyclohepta[1,2-b]indol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-(4methoxyphenyl)-1-morpholin-4-ylmethyl-11,1...",NA,"COC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5CC4)C(=C(C=C3)O)CN6CCOCC6","FXVVXGOZPPELEX-UHFFFAOYSA-N",24205421,NA,"PDBC16180","735471","Present",NA,NA
+"16181","2-Hydroxy-5-[(2-methoxyphenyl)methyl]benzo[b]carbazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-(2-methoxybenzyl)-5h-benzo[b]carbazole-6,11-dione",NA,"COC1=CC=CC=C1CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O","CLXZRRMUHNTKOH-UHFFFAOYSA-N",403879,NA,"PDBC16181","719412","Present",NA,NA
+"16182","2-Hydroxy-5-[(3-methylphenyl)methyl]benzo[b]carbazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-(3-methylbenzyl)-5h-benzo[b]carbazole-6,11-dione",NA,"CC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O","DDPOBCPINAPMDG-UHFFFAOYSA-N",403880,NA,"PDBC16182","719413","Present",NA,NA
+"16183","2-Hydroxy-5-[2-(4-sulfamoyl-phenyl)-vinyl]-benzoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-[2-(4-sulfamoyl-phenyl)-vinyl]-benzoic acid ...",NA,"COC(=O)C1=C(C=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)N)O","ZJVMZHMOCNGMSP-NSCUHMNNSA-N",5472924,NA,"PDBC16183","722843","Present",NA,NA
+"16184","2-Hydroxy-5-[[(E)-(10-oxidoacridin-10-ium-9-yl)methyleneamino]sulfamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-({(E)-[(10-hydroxyacridin-9(10H)-ylidene)methyl]diazenyl}sulfonyl)benzoic acid",NA,"C1=CC=C2C(=C1)C(=CN=NS(=O)(=O)C3=CC(=C(C=C3)O)C(=O)O)C4=CC=CC=C4N2O","UBADJRMJFHMSCU-UHFFFAOYSA-N",363212,NA,"PDBC16184","627890","Present",NA,NA
+"16185","2-Hydroxy-5-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-[[(Z)-(2-hydroxy-4-oxochromen-3-ylidene)methyl]amino]benzoic acid",NA,"C1=CC=C2C(=C1)C(=O)C(=CNC3=CC(=C(C=C3)O)C(=O)O)C(O2)O","VWXJCAGVLFLYIM-XYOKQWHBSA-N",54612711,NA,"PDBC16185","747804","Present",NA,NA
+"16186","2-Hydroxy-5-methoxy-3-methylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-methoxy-3-methylbenzoic acid",NA,"CC1=CC(=CC(=C1O)C(=O)O)OC","MACPYBDBXVLDRB-UHFFFAOYSA-N",362084,NA,"PDBC16186","625607","Present",NA,NA
+"16187","2-Hydroxy-5-methoxy-4-methyl-2-(3-methyl-2-butenyl)-1-benzofuran-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5-methoxy-4-methyl-2-(3-methyl-2-butenyl)-1-benzofuran-3(2H)-one",NA,"CC1=C(C=CC2=C1C(=O)C(O2)(CC=C(C)C)O)OC","CXNHNPBTNHJXEH-UHFFFAOYSA-N",380489,NA,"PDBC16187","666104","Present",NA,NA
+"16188","2-Hydroxy-5-methoxybenzaldehyde N-ethylthiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM189288640",NA,"CCNC(=S)NN=CC1=C(C=CC(=C1)OC)O","YSWOYAQZHSHQOG-NTUHNPAUSA-N",135484933,NA,"PDBC16188","673834","Present",NA,NA
+"16189","2-Hydroxy-6,6-dimethyl-4-[(E)-(p-tolylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-6,6-dimethyl-4-[(E)-(p-tolylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,"CC1=CC=C(C=C1)NN=CC2=CC(C(C(=C2C#N)O)(C#N)C#N)(C)C","NBQQVPILPPDYOB-AUEPDCJTSA-N",9571495,NA,"PDBC16189","672219","Present",NA,NA
+"16190","2-Hydroxy-6,6-dimethyl-4-[(E)-(phenylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-6,6-dimethyl-4-[(E)-(phenylhydrazono)methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,"CC1(C=C(C(=C(C1(C#N)C#N)O)C#N)C=NNC2=CC=CC=C2)C","SZHPGODRPDNLNR-LSHDLFTRSA-N",9571494,NA,"PDBC16190","672216","Present",NA,NA
+"16191","2-Hydroxy-6,6-dimethyl-4-[(E)-[(4-nitrophenyl)hydrazono]methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-6,6-dimethyl-4-[(E)-[(4-nitrophenyl)hydrazinylidene]methyl]cyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,"CC1(C=C(C(=C(C1(C#N)C#N)O)C#N)C=NNC2=CC=C(C=C2)[N+](=O)[O-])C","VPJVFSVZRQIGQX-LSFURLLWSA-N",5902701,NA,"PDBC16191","669267","Present",NA,NA
+"16192","2-Hydroxy-6-(3-oxobutyl)-1,6-cycloheptadiene-1-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-6-(3-oxobutyl)-1,6-cycloheptadiene-1-carboxylic acid methyl ester",NA,"CC(=O)CCC1=CC(=C(CCC1)O)C(=O)OC","RXJPJSXRVNADKQ-UHFFFAOYSA-N",54685703,NA,"PDBC16192","706133","Present",NA,NA
+"16193","2-Hydroxy-6-(4-methoxyphenyl)-4-phenylnicotinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-6-(4-methoxyphenyl)-4-phenylnicotinonitrile",NA,"COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CC=C3","OOHWREUZDRTCHX-UHFFFAOYSA-N",368863,NA,"PDBC16193","640202","Present",NA,NA
+"16194","2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anacardic acid C15:3",NA,"C=CCC=CCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O","QUVGEKPNSCFQIR-AOSYACOCSA-N",5388781,NA,"PDBC16194","638512","Present",NA,NA
+"16195","2-Hydroxy-6-(pentadec-8-en-1-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anacardic acid C15:1",NA,"CCCCCCC=CCCCCCCCC1=C(C(=CC=C1)O)C(=O)O","YXHVCZZLWZYHSA-BQYQJAHWSA-N",5317600,NA,"PDBC16195","638511","Present",NA,NA
+"16196","2-Hydroxy-6-isopropyl-4-methyl-2,4,6-cycloheptatrien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-6-isopropyl-4-methyl-2,4,6-cycloheptatrien-1-one",NA,"CC1=CC(=O)C(=CC(=C1)C(C)C)O","FFKAAUJVOQNWFJ-UHFFFAOYSA-N",363769,NA,"PDBC16196","628976","Present",NA,NA
+"16197","2-Hydroxy-6-mercapto-9-phenyl-7,9-dihydro-8H-purin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-6-mercapto-9-phenyl-7,9-dihydro-8H-purin-8-one",NA,"C1=CC=C(C=C1)N2C3=C(C(=S)NC(=O)N3)NC2=O","IHHYSLPKADNHPH-UHFFFAOYSA-N",3246125,NA,"PDBC16197","34486","Present",NA,NA
+"16198","2-Hydroxy-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3,5-dicarbonitrile",NA,"CC(=NN1C(=C(C=C(C1=O)C#N)C#N)O)C2=CC=NC=C2","BQJWAIZIYVMXEM-GIJQJNRQSA-N",11637697,NA,"PDBC16198","734786","Present",NA,NA
+"16199","2-Hydroxy-7-methoxy-4-methyl-2,4,6-cycloheptatrien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-7-methoxy-4-methyl-2,4,6-cycloheptatrien-1-one",NA,"CC1=CC(=O)C(=C(C=C1)OC)O","BEJDCFLPAOQEBD-UHFFFAOYSA-N",373102,NA,"PDBC16199","649044","Present",NA,NA
+"16200","2-Hydroxy-7-methylenebicyclo[3.3.1]nonan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-7-methylenebicyclo[3.3.1]nonan-3-one",NA,"C=C1CC2CC(C1)C(C(=O)C2)O","BOHQHZMOKZGKRF-UHFFFAOYSA-N",395353,NA,"PDBC16200","699835","Present",NA,NA
+"16201","2-Hydroxy-9-fluorenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK161758",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)O","GXUBPHMYNSICJC-UHFFFAOYSA-N",81386,NA,"PDBC16201","22835","Present",NA,NA
+"16202","2-Hydroxy-N'-(2-hydroxybenzoyl)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC408200",NA,"C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2O)O","UORSDGBOJHYJLV-UHFFFAOYSA-N",65303,NA,"PDBC16202","408200","Present",NA,NA
+"16203","2-Hydroxy-N'-(2-hydroxybenzyl)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK951933",NA,"C1=CC=C(C(=C1)CNNC(=O)C2=CC=CC=C2O)O","SJSJXRMQLWUZCN-UHFFFAOYSA-N",392123,NA,"PDBC16203","691998","Present",NA,NA
+"16204","2-Hydroxy-N'-(4-hydroxybenzoyl)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N'-(4-hydroxybenzoyl)benzohydrazide",NA,"C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=C(C=C2)O)O","QCTBKJBBXFITKX-UHFFFAOYSA-N",393331,NA,"PDBC16204","695039","Present",NA,NA
+"16205","2-Hydroxy-N,N-bis(2-hydroxyethyl)-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N,N-bis(2-hydroxyethyl)-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide",NA,"C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)S(=O)(=O)N(CCO)CCO)O","RYSSXUJNLOUNMH-UHFFFAOYSA-N",403172,NA,"PDBC16205","717825","Present",NA,NA
+"16206","2-Hydroxy-N,N-di(propan-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N,N-di(propan-2-yl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-2-carboxamide",NA,"CC(C)N(C(C)C)C(=O)C1(C2=CC=CC=C2C=CC3=CC=CC=C31)O","CAKQVWVCJKDREQ-UHFFFAOYSA-N",398109,NA,"PDBC16206","707474","Present",NA,NA
+"16207","2-Hydroxy-N-(2-hydroxy-3-phenoxypropyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-(2-hydroxy-3-phenoxypropyl)benzamide",NA,"C1=CC=C(C=C1)OCC(CNC(=O)C2=CC=CC=C2O)O","DXJZBNOTDMNBFA-UHFFFAOYSA-N",391008,NA,"PDBC16207","689415","Present",NA,NA
+"16208","2-Hydroxy-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3O","DZXCFUOFQVKHJT-UHFFFAOYSA-N",376423,NA,"PDBC16208","657337","Present",NA,NA
+"16209","2-Hydroxy-N-(2-methyl-5-nitrophenyl)-3-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-salicylotoluidide, 3,5'-dinitro-",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","QLVVQRCTAOWEFK-UHFFFAOYSA-N",45952,NA,"PDBC16209","79451","Present",NA,NA
+"16210","2-Hydroxy-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)-2-phenylacetamide",NA,"C1CCC2(C1)N(C(=O)CS2)NC(=O)C(C3=CC=CC=C3)O","TYAGUBLQYTXWCF-UHFFFAOYSA-N",24205441,NA,"PDBC16210","735535","Present",NA,NA
+"16211","2-Hydroxy-N-(4-methyl-2-nitrophenyl)-3-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3-Dinitro-p-salicylotoluidide",NA,"CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)[N+](=O)[O-]","ILZBTXJTJLPKLA-UHFFFAOYSA-N",255922,NA,"PDBC16211","82025","Present",NA,NA
+"16212","2-Hydroxy-N-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,"CC1C(=O)N(C(S1)C2=CC=CS2)NC(=O)C(C3=CC=CC=C3)O","QLNIZHXFTZPWKD-UHFFFAOYSA-N",24205437,NA,"PDBC16212","735531","Present",NA,NA
+"16213","2-Hydroxy-N-[(E)-1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)ethylideneamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-[(E)-1-(7-methoxy-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)ethylideneamino]benzamide",NA,"CC1=C([N+](=C2C=C(C=CC2=[N+]1[O-])OC)[O-])C(=NNC(=O)C3=CC=CC=C3O)C","RCPHSWPYBOFZEQ-RGVLZGJSSA-N",135483917,NA,"PDBC16213","634662","Present",NA,NA
+"16214","2-Hydroxy-N-[(E)-1-[6-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]benzamide;iron(2+);sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-[(E)-1-[6-[(E)-N-[(2-hydroxybenzoyl)amino]-C-methylcarbonimidoyl]pyridin-2-yl]ethylideneamino]benzamide;iron(2+);sulfate",NA,"CC(=NNC(=O)C1=CC=CC=C1O)C2=NC(=CC=C2)C(=NNC(=O)C3=CC=CC=C3O)C.[O-]S(=O)(=O)[O-].[Fe+2]","VJJGJNGQCJLNKU-UMYJKDMASA-L",24202007,NA,"PDBC16214","617568","Present",NA,NA
+"16215","2-Hydroxy-N-[(E)-3-oxobutan-2-ylideneamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-[(E)-3-oxobutan-2-ylideneamino]benzamide",NA,"CC(=NNC(=O)C1=CC=CC=C1O)C(=O)C","ZCRMVSLYFOEUHX-KPKJPENVSA-N",5351367,NA,"PDBC16215","635441","Present",NA,NA
+"16216","2-Hydroxy-N-[(Z)-[4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxo-1-(2-propan-2-ylanilino)butan-2-ylidene]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-[(Z)-[4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxo-1-(2-propan-2-ylanilino)butan-2-ylidene]amino]benzamide",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NNC(=O)C3=CC=CC=C3O)C(=O)NC4=CC=CC=C4C(C)C","BHNKDQSVLUEXQV-VAMRJTSQSA-N",6285462,NA,"PDBC16216","635541","Present",NA,NA
+"16217","2-Hydroxy-N-[2-(3-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-[2-(3-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide",NA,"CC1C(=O)N(C(S1)C2=CC(=CC=C2)OC)NC(=O)C(C3=CC=CC=C3)O","BYZFBJHWOHMEAB-UHFFFAOYSA-N",24205436,NA,"PDBC16217","735530","Present",NA,NA
+"16218","2-Hydroxy-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C2N(C(=O)CS2)NC(=O)C(C3=CC=CC=C3)O","NCCORISISGFVEM-UHFFFAOYSA-N",24205497,NA,"PDBC16218","736051","Present",NA,NA
+"16219","2-Hydroxy-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-[2-(4-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide",NA,"CC1C(=O)N(C(S1)C2=CC=C(C=C2)OC)NC(=O)C(C3=CC=CC=C3)O","OIEKCZFONQBONH-UHFFFAOYSA-N",24205500,NA,"PDBC16219","736054","Present",NA,NA
+"16220","2-Hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-N-methyl-3-(3-oxoindol-2-yl)-1H-indole-5-sulfonamide",NA,"CNS(=O)(=O)C1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O","IXJRAMGISJGVKL-UHFFFAOYSA-N",403169,NA,"PDBC16220","717822","Present",NA,NA
+"16221","2-Hydroxy-n-(4-iodophenyl)-5-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC27103",NA,"C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)I","UNPVQOIEQQBGHB-UHFFFAOYSA-N",95282,NA,"PDBC16221","27103","Present",NA,NA
+"16222","2-Hydroxyamino-2-methyl-1-phenyl-propan-1-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661468",NA,"CC(C)(C(=NO)C1=CC=CC=C1)NO","FLVMMVWWXZODIT-LUAWRHEFSA-N",5392395,NA,"PDBC16222","661468","Present",NA,NA
+"16223","2-Hydroxyamino-2-methylpropan-1-al oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661463",NA,"CC(C)(C=NO)NO","XPILJIJVKYOKOE-HYXAFXHYSA-N",5702833,NA,"PDBC16223","661463","Present",NA,NA
+"16224","2-Hydroxybenzaldehyde (5-ethyl-4-(2-hydroxybenzylidene)-4H-imidazol-2-yl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxybenzaldehyde (5-ethyl-4-(2-hydroxybenzylidene)-4H-imidazol-2-yl)hydrazone",NA,"CCC1=NC(=NC1=CC2=CC=CC=C2O)NN=CC3=CC=CC=C3O","WUELVZCJQURQGP-ULQIOQDBSA-N",135484733,NA,"PDBC16224","697678","Present",NA,NA
+"16225","2-Hydroxybenzoic acid;manganese(2+);3-(1-methylpyrrolidin-2-yl)pyridine;2-oxoniobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIS(SALICYLATO)MANGANESE COMPOUND WITH SALICYLIC ACID AN...///NSC72939",NA,"CN1CCCC1C2=CN=CC=C2.C1=CC=C(C(=C1)C(=O)[O-])[OH2+].C1=CC=C(C(=C1)C(=O)[O-])[OH2+].C1=CC=C(C(=C1)C(=O)O)O.[Mn+2]","QWRJNWCHYPGFDW-UHFFFAOYSA-N",54605162,NA,"PDBC16225","3385///72939","Present",NA,NA
+"16226","2-Hydroxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 3-(2-hydroxyphenyl)-1-phenyl- (9CI)",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2O","UDOOPSJCRMKSGL-ZHACJKMWSA-N",5367146,NA,"PDBC16226","37432","Present",NA,NA
+"16227","2-Hydroxyestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-oh-e2",NA,"CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)O)O","DILDHNKDVHLEQB-XSSYPUMDSA-N",247304,NA,"PDBC16227","61711","Present",NA,NA
+"16228","2-Hydroxyethyl 2-heptadecyl-4,5-dihydroimidazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxyethyl 2-heptadecyl-4,5-dihydro-1h-imidazole-1-carboxylate",NA,"CCCCCCCCCCCCCCCCCC1=NCCN1C(=O)OCCO","OMZAMCAGPDORCB-UHFFFAOYSA-N",236448,NA,"PDBC16228","38972","Present",NA,NA
+"16229","2-Hydroxyethyl 5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-L-Ribofuranuronic acid, 1-(6-amino-9H-purin-9-yl)...",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)C(=O)OCCO)O)O)N","ZSWSWPYKBOZWGV-UHFFFAOYSA-N",318120,NA,"PDBC16229","252571","Present",NA,NA
+"16230","2-Hydroxyethyl Diethylcarbamo(dithioperoxo)thioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-hydroxyethyl diethylcarbamo(dithioperoxo)thioate",NA,"CCN(CC)C(=S)SSCCO","QKJKMJPGOUUWOR-UHFFFAOYSA-N",46700806,NA,"PDBC16230","749793","Present",NA,NA
+"16231","2-Hydroxyethyl-[(2R)-2-hydroxyheptadecyl]-dimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688028",NA,"CCCCCCCCCCCCCCCC(C[N+](C)(C)CCO)O.[I-]","RESAZCYZHZRIHJ-ZMBIFBSDSA-M",390541,NA,"PDBC16231","688028","Present",NA,NA
+"16232","2-Hydroxyethylthio-3-methylnaphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxyethylthio-3-methylnaphthoquinone",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCO","MZIOEPIEDDJOPP-UHFFFAOYSA-N",2876,NA,"PDBC16232","672121","Present",NA,NA
+"16233","2-Hydroxymethyl-6-methoxytetrahydropyran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QKPYWZWSPJBKAW-UHFFFAOYSA-N",NA,"COC1CCC(C(O1)CO)O","QKPYWZWSPJBKAW-UHFFFAOYSA-N",360938,NA,"PDBC16233","623651","Present",NA,NA
+"16234","2-Hydroxymethylene-4-androstene-4,17beta-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxymethylene-4-androstene-4,17.beta.-diol",NA,"CC12CCC3C(C1CCC2O)CCC4=C(C(=O)C(=CO)CC34C)O","VLJKLQIESFQWKT-BPMJDANNSA-N",5388050,NA,"PDBC16234","631060","Present",NA,NA
+"16235","2-Hydroxynaphthalene-1-carbaldehyde (2-pyridyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxynaphthalene-1-carbaldehyde (2-pyridyl)hydrazone",NA,"C1=CC=C2C(=C1)C=CC(=C2C=NNC3=CC=CC=N3)O","SJAJMGQSQCLFSP-WQRHYEAKSA-N",135400277,NA,"PDBC16235","98573","Present",NA,NA
+"16236","2-Hydroxypropane-1,2,3-tricarboxylic acid--4-[(E)-[4-(dibutylamino)phenyl]{[5-(diethylamino)pentan-2-yl]imino}methyl]-N,N-dimethylaniline (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Pentanediamine, N4-[(p-dibutylaminophenyl)(p-dimethy...",NA,"CCCCN(CCCC)C1=CC=C(C=C1)C(=NC(C)CCCN(CC)CC)C2=CC=C(C=C2)N(C)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","UGIBEGDFEMNMSN-UHFFFAOYSA-N",54609404,NA,"PDBC16236","30084","Present",NA,NA
+"16237","2-Hydroxytetradecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Hydroxymyristic acid",NA,"CCCCCCCCCCCCC(C(=O)O)O","JYZJYKOZGGEXSX-UHFFFAOYSA-N",1563,NA,"PDBC16237","18938","Present",NA,NA
+"16238","2-Imidazo[1,2-a]pyridin-2-ylethyl carbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652564",NA,"C1=CC2=NC(=CN2C=C1)CCSC(=N)N.Cl","BVLGSHDEHCDZNJ-UHFFFAOYSA-N",374593,NA,"PDBC16238","652564","Present",NA,NA
+"16239","2-Imidazo[2,1-b][1,3]thiazol-6-yl-5-(methylthio)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imidazo[2,1-b][1,3]thiazol-6-yl-5-(methylthio)phenol",NA,"CSC1=CC(=C(C=C1)C2=CN3C=CSC3=N2)O","VJWLTFNGUIFFOD-UHFFFAOYSA-N",369512,NA,"PDBC16239","641292","Present",NA,NA
+"16240","2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,4-diol",NA,"C1=CC(=C(C=C1O)C2=CN3C=CSC3=N2)O","RNSZNZFGNZQNSJ-UHFFFAOYSA-N",10775929,NA,"PDBC16240","732205","Present",NA,NA
+"16241","2-Imidazolidinethione, 1,3-bis(pentafluorobenzoyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imidazolidinethione, 1,3-bis(pentafluorobenzoyl)-",NA,"C1CN(C(=S)N1C(=O)C2=C(C(=C(C(=C2F)F)F)F)F)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F","KHZPQUJFLVDQDB-UHFFFAOYSA-N",383506,NA,"PDBC16241","671891","Present",NA,NA
+"16242","2-Imidazolidinethione, hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-IMIDAZOLIDINETHIONE, HYDROBROMIDE",NA,"C1CNC(=S)N1.Br","BADBZEULTRZERS-UHFFFAOYSA-N",24180854,NA,"PDBC16242","1938","Present",NA,NA
+"16243","2-Imidazolidinone, 1-benzoyl-3-phenyl-4,5-bis(phenylimino)-, (4Z,5Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4z,5e)-1-Benzoyl-3-phenyl-4,5-bis(phenylimino)imidazolidin-2-one",NA,"C1=CC=C(C=C1)C(=O)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=O)C5=CC=CC=C5","HXWMFCLWDJULMR-UHFFFAOYSA-N",383263,NA,"PDBC16243","671377","Present",NA,NA
+"16244","2-Imidazolidinone,5-dihydro-1H-imidazol-2-yl)-3-methyl-1H-pyrazol-4-yl]ethylidene]hydrazone, dihydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imidazolidinone, [1-[1-(4,5-dihydro-1H-imidazol-2-yl)-...",NA,"CC1=NN(C=C1C(=NNC2=NCCN2)C)C3=NCCN3.Br","AYRLSVAWEZWFLT-XIDBHWPPSA-N",5459056,NA,"PDBC16244","607796","Present",NA,NA
+"16245","2-Imidazoline, 4,4-dimethyl-1-isopropyl-2-undecyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T5N CN AUTJ B11 CY1&1 E1 E1",NA,"CCCCCCCCCCCC1=NC(CN1C(C)C)(C)C","WWLAQXMQQFPUOQ-UHFFFAOYSA-N",52888,NA,"PDBC16245","17742","Present",NA,NA
+"16246","2-Imino-1,3-diphenyl-5-phenyliminoimidazolidine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Imidazolidinethione, 2-imino-1,3-diphenyl-5-(phenylimi...",NA,"C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2C3=CC=CC=C3)C4=CC=CC=C4","SOLNIHCIAWZQOF-UHFFFAOYSA-N",383285,NA,"PDBC16246","671399","Present",NA,NA
+"16247","2-Imino-3,6-dimethyl-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-3,6-dimethyl-2,3,5,6,7,8-hexahydropyrimido[4,5-d]pyrimidin-4(1H)-one",NA,"CN1CC2=C(NC1)N=C(N(C2=O)C)N","BTGZESBZHDCBAR-UHFFFAOYSA-N",378985,NA,"PDBC16247","662577","Present",NA,NA
+"16248","2-Imino-3a,5-bis((trityloxy)methyl)hexahydrofuro[2,3-d][1,3]oxazol-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-3a,5-bis((trityloxy)methyl)hexahydrofuro[2,3-d][1,3]oxazol-6-ol",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C5C(O4)(N=C(O5)N)COC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)O","AAMIHYIREHJGBF-UHFFFAOYSA-N",387255,NA,"PDBC16248","680836","Present",NA,NA
+"16249","2-Imino-4,6,7-trimethyl-chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-4,6,7-trimethyl-chromene-3-carbonitrile",NA,"CC1=CC2=C(C=C1C)OC(=N)C(=C2C)C#N","NWSCWFLDOLSGEB-UHFFFAOYSA-N",389418,NA,"PDBC16249","685500","Present",NA,NA
+"16250","2-Imino-4-(methylthio)-5-oxo-N-phenyl-2,5-dihydro-1H-pyrrole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-4-(methylthio)-5-oxo-N-phenyl-2,5-dihydro-1H-pyrrole-3-carboxamide",NA,"CSC1=C(C(=NC1=O)N)C(=O)NC2=CC=CC=C2","KNVCXLGHZUUVCE-UHFFFAOYSA-N",392148,NA,"PDBC16250","692028","Present",NA,NA
+"16251","2-Imino-4-methyl-chromene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-4-methyl-chromene-3-carbonitrile",NA,"CC1=C(C(=N)OC2=CC=CC=C12)C#N","IFYWXSYHMKSWQH-UHFFFAOYSA-N",389417,NA,"PDBC16251","685499","Present",NA,NA
+"16252","2-Imino-6-methoxy-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_002885",NA,"COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)N","KTWIQSNWSCNJOI-UHFFFAOYSA-N",395944,NA,"PDBC16252","701068","Present",NA,NA
+"16253","2-Imino-6-methoxy-2H-chromene-3-carboxylic acid phenylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 01020699",NA,"COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=CC=C3","ZLTVBZSWAFBFSE-UHFFFAOYSA-N",389249,NA,"PDBC16253","685002","Present",NA,NA
+"16254","2-Imino-6-methoxy-N-naphthalen-1-ylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-6-methoxy-N-naphthalen-1-ylchromene-3-carboxamide",NA,"COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=CC4=CC=CC=C43","RHCLYGWZCLVRJD-UHFFFAOYSA-N",399121,NA,"PDBC16254","709540","Present",NA,NA
+"16255","2-Imino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-6-methoxy-N-pyridin-2-ylchromene-3-carboxamide",NA,"COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NC3=CC=CC=N3","FYHFOKBIVKUNDD-UHFFFAOYSA-N",395962,NA,"PDBC16255","701086","Present",NA,NA
+"16256","2-Imino-6-methoxychromene-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL171476",NA,"COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=S)N","LUCOUNTXDLWPQS-UHFFFAOYSA-N",828049,NA,"PDBC16256","684971","Present",NA,NA
+"16257","2-Imino-8-methoxy-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HTS028194",NA,"COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)N","HHMZURGWXAWJGC-UHFFFAOYSA-N",395949,NA,"PDBC16257","701073","Present",NA,NA
+"16258","2-Imino-8-methoxy-N-phenyl-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK408182",NA,"COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=C3","WPGOGVHGJRFBNE-UHFFFAOYSA-N",389253,NA,"PDBC16258","685006","Present",NA,NA
+"16259","2-Imino-8-prop-2-enyl-N-pyridin-2-ylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-8-prop-2-enyl-N-pyridin-2-ylchromene-3-carboxamide",NA,"C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=N3","PGVOXCQFFUVTIB-UHFFFAOYSA-N",395957,NA,"PDBC16259","701081","Present",NA,NA
+"16260","2-Imino-N-(4-methoxyphenyl)-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-N-(4-methoxyphenyl)-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide",NA,"COC1=CC=C(C=C1)NC(=O)C2=C(C(=O)N=C2N)SC","RAZNERFNZDIJQB-UHFFFAOYSA-N",392164,NA,"PDBC16260","692044","Present",NA,NA
+"16261","2-Imino-N-(4-methylphenyl)-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-N-(4-methylphenyl)-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=C(C(=O)N=C2N)SC","PIVJDTBWXZANOJ-UHFFFAOYSA-N",392162,NA,"PDBC16261","692042","Present",NA,NA
+"16262","2-Imino-N-(4-methylphenyl)-8-prop-2-enylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-N-(4-methylphenyl)-8-prop-2-enylchromene-3-carboxamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=CC=C3)CC=C)OC2=N","NOHCPMKORNATAG-UHFFFAOYSA-N",395964,NA,"PDBC16262","701088","Present",NA,NA
+"16263","2-Imino-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carboxamide",NA,"C1CN(CCN1CC2CN(C(=N)O2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4","PWSMUIKHDKMJNC-UHFFFAOYSA-N",394338,NA,"PDBC16263","697707","Present",NA,NA
+"16264","2-Imino-N-phenyl-8-prop-2-enylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imino-N-phenyl-8-prop-2-enylchromene-3-carboxamide",NA,"C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=C3","JQUZBAPUSSVZJA-UHFFFAOYSA-N",395951,NA,"PDBC16264","701075","Present",NA,NA
+"16265","2-Indanone thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Indanone thiosemicarbazone",NA,"C1C(=NNC(=S)N)CC2=CC=CC=C21","JGHCFRSOVBJGGA-UHFFFAOYSA-N",2807509,NA,"PDBC16265","659753","Present",NA,NA
+"16266","2-Iodo-2-(2-methylcyclopentylidene)-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E/Z)-2-Iodo-2-(2'-methylcyclopentylidene)-1-phenylethanone",NA,"CC1CCCC1=C(C(=O)C2=CC=CC=C2)I","VQEZOBPGGPIDKI-SEYXRHQNSA-N",3004942,NA,"PDBC16266","664742","Present",NA,NA
+"16267","2-Iodo-3,3-diphenylpropenal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Iodo-3,3-diphenylpropenal",NA,"C1=CC=C(C=C1)C(=C(C=O)I)C2=CC=CC=C2","DZUISQZSGFOYEP-UHFFFAOYSA-N",384509,NA,"PDBC16267","674453","Present",NA,NA
+"16268","2-Iodobiphenyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Iodobiphenyl",NA,"C1=CC=C(C=C1)C2=CC=CC=C2I","QFUYDAGNUJWBSM-UHFFFAOYSA-N",75025,NA,"PDBC16268","9283","Present",NA,NA
+"16269","2-Iodoestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Iodoestradiol",NA,"CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)I)O","JZYOQPBSKIOCIK-XSSYPUMDSA-N",68574,NA,"PDBC16269","671618","Present",NA,NA
+"16270","2-Iodoestradiol 17beta-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Iodoestradiol 17.beta.-acetate",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=C(C=C34)I)O)C","YSTGAOMPENJTFN-BKRJIHRRSA-N",383392,NA,"PDBC16270","671617","Present",NA,NA
+"16271","2-Isobutenyl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-isobutenyl estradiol",NA,"CC(=CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O)C","FSRTVMCHXYGCQF-ROKIQVFUSA-N",381928,NA,"PDBC16271","669231","Present",NA,NA
+"16272","2-Isobutnyl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-isobutnyl estradiol",NA,"CC(C)CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","NFBYXABUAHVOLX-ROKIQVFUSA-N",381929,NA,"PDBC16272","669232","Present",NA,NA
+"16273","2-Isonicotinoyl-5-methyl-4-(2-naphthyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isonicotinoyl-5-methyl-4-(2-naphthyldiazenyl)-2,4-dihydro-3H-pyrazol-3-one",NA,"CC1=NN(C(=O)C1N=NC2=CC3=CC=CC=C3C=C2)C(=O)C4=CC=NC=C4","CGZXHGCNAPWCCI-UHFFFAOYSA-N",327703,NA,"PDBC16273","303769","Present",NA,NA
+"16274","2-Isopropenyl-4,6-diphenoxy-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Triazine, 2-(1-methylethenyl)-2,4-diphenoxy-",NA,"CC(=C)C1=NC(=NC(=N1)OC2=CC=CC=C2)OC3=CC=CC=C3","TUHFYDGLBUXMEC-UHFFFAOYSA-N",340916,NA,"PDBC16274","372146","Present",NA,NA
+"16275","2-Isopropenyl-5-methoxy-11-methyl-1,11-dihydrofuro[2,3-c]acridin-6(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isopropenyl-5-methoxy-11-methyl-1,11-dihydrofuro[2,3-c]acridin-6(2H)-one",NA,"CC(=C)C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C","DYEBLBOVMXYJSX-UHFFFAOYSA-N",374578,NA,"PDBC16275","652552","Present",NA,NA
+"16276","2-Isopropoxy-3,8,9-trimethoxybenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isopropoxy-3,8,9-trimethoxybenzo[c]phenanthridine",NA,"CC(C)OC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC)OC)OC","LYAZTRXRYGYSKZ-UHFFFAOYSA-N",371237,NA,"PDBC16276","645295","Present",NA,NA
+"16277","2-Isopropyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isopropyl-5,6,7,8-tetrahydro-3,4-phenanthrenedione",NA,"CC(C)C1=CC2=C(C3=C(CCCC3)C=C2)C(=O)C1=O","VPXFMBKWKKHRPD-UHFFFAOYSA-N",368568,NA,"PDBC16277","639661","Present",NA,NA
+"16278","2-Isopropyl-5-hydroxymethyl-1,3-dioxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZZETUFLYPMIVJC-UHFFFAOYSA-N",NA,"CC(C)C1OCC(CO1)CO","ZZETUFLYPMIVJC-UHFFFAOYSA-N",386845,NA,"PDBC16278","679579","Present",NA,NA
+"16279","2-Isopropyl-5-methylcyclohexyl (4-phenyl-1H-1,2,3-triazol-1-yl)methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isopropyl-5-methylcyclohexyl (4-phenyl-1H-1,2,3-triazol-1-yl)methylcarbamate",NA,"CC1CCC(C(C1)OC(=O)NCN2C=C(N=N2)C3=CC=CC=C3)C(C)C","IAPQUATXEHBRED-UHFFFAOYSA-N",386633,NA,"PDBC16279","679087","Present",NA,NA
+"16280","2-Isopropyl-7-(4-nitrophenyl)-1,6,2-dioxazepane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isopropyl-7-(4-nitrophenyl)-1,6,2-dioxazepane",NA,"CC(C)N1CCCOC(O1)C2=CC=C(C=C2)[N+](=O)[O-]","MNOPFWCRPXXANI-UHFFFAOYSA-N",386979,NA,"PDBC16280","680222","Present",NA,NA
+"16281","2-Isopropylphenyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isopropylphenyl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate",NA,"CC(C)C1=CC=CC=C1OC(=O)C2C(C2(C)C)C=C(C)C","ZLSWBDLJHFJFHB-UHFFFAOYSA-N",239456,NA,"PDBC16281","44547","Present",NA,NA
+"16282","2-Isoquinolin-2-ium-2-yl-1-phenanthren-3-ylethanone;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isoquinolin-2-ium-2-yl-1-phenanthren-3-ylethanone;iodide",NA,"C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC4=C(C=CC5=CC=CC=C54)C=C3.[I-]","VANVCPSLXZARBM-UHFFFAOYSA-M",5351160,NA,"PDBC16282","35489","Present",NA,NA
+"16283","2-Mercapto-4-(2-phenylvinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Mercapto-4-(2-phenylvinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile",NA,"C1CCC2=C(CC1)NC(=S)C(=C2C=CC3=CC=CC=C3)C#N","KPIJMHCLRRBLDD-VAWYXSNFSA-N",5469243,NA,"PDBC16283","684707","Present",NA,NA
+"16284","2-Mercapto-6-(2-(2-naphthyl)hydrazino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(2-naphthyl)hydrazino]-2-sulfanyl-pyrimidin-4-ol",NA,"C1=CC=C2C=C(C=CC2=C1)NNC3=CC(=O)NC(=S)N3","SFFKXJBVFDFYSS-UHFFFAOYSA-N",3005144,NA,"PDBC16284","677257","Present",NA,NA
+"16285","2-Mercapto-6-(2-phenylhydrazino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Mercapto-6-(2-phenylhydrazino)-4-pyrimidinol",NA,"C1=CC=C(C=C1)NNC2=CC(=O)NC(=S)N2","MVVORFAGIYLNMA-UHFFFAOYSA-N",3005146,NA,"PDBC16285","677260","Present",NA,NA
+"16286","2-Mercapto-6-(3-(4-morpholinyl)propyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Mercapto-6-(3-(4-morpholinyl)propyl)-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-4-ol",NA,"C1COCCN1CCCN2CC3=C(NC2)NC(=S)NC3=O","SVINEZKIGWLMLB-UHFFFAOYSA-N",3003818,NA,"PDBC16286","92600","Present",NA,NA
+"16287","2-Mercapto-6-(4-methoxyphenyl)-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Mercapto-6-(4-methoxyphenyl)-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,"COC1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F","MBDJVXAAGWGPGV-UHFFFAOYSA-N",3004117,NA,"PDBC16287","630282","Present",NA,NA
+"16288","2-Mercapto-6-(6-sulfonate-8-hydroxy santonic acid)-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-mercapto-6-(6-sulfonate-8-hydroxy santonic acid)-benzo...",NA,"CC1C(CC2C3(C1C(C2(CC3)C(C)C(=O)O)O)C)OS(=O)(=O)C4=CC5=C(C=C4)NC(=S)S5","YRQPHMVBIFSQKD-UHFFFAOYSA-N",5472646,NA,"PDBC16288","720603","Present",NA,NA
+"16289","2-Mercapto-6-methyl-9H-pyrimido[4,5-b]indol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Mercapto-6-methyl-9H-pyrimido[4,5-b]indol-4-ol",NA,"CC1=CC2=C(C=C1)NC3=C2C(=O)NC(=S)N3","CWFVFPLDAKTCCS-UHFFFAOYSA-N",3005186,NA,"PDBC16289","680806","Present",NA,NA
+"16290","2-Mercapto-6-phenyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Mercapto-6-phenyl-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,"C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F","UZZSOLKMTBMUKC-UHFFFAOYSA-N",3004143,NA,"PDBC16290","631820","Present",NA,NA
+"16291","2-Mercapto-8-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Mercapto-8-(4-methoxyphenyl)-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,"CC1=NC2=C(NC(C1)C3=CC=C(C=C3)OC)NC(=S)NC2=O","UHEXDARYZIFOCU-UHFFFAOYSA-N",3004217,NA,"PDBC16291","636794","Present",NA,NA
+"16292","2-Methoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole",NA,"COC1=CC2=C(CCC3=C2N(C4=CC=CC=C34)CCN5CCCCC5)C=C1","HUTPVVRESVAZSX-UHFFFAOYSA-N",390897,NA,"PDBC16292","689072","Present",NA,NA
+"16293","2-Methoxy-2,3,4,4a,6,7,8,8a-octahydrochromen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-2,3,4,4a,6,7,8,8a-octahydrochromen-5-one",NA,"COC1CCC2C(O1)CCCC2=O","LDRNECIDYQWEOB-UHFFFAOYSA-N",358271,NA,"PDBC16293","618215","Present",NA,NA
+"16294","2-Methoxy-2-phenylacetohydrazide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668052",NA,"COC(C1=CC=CC=C1)C(=O)NN.Cl","PPWHUFSHWPGZJV-UHFFFAOYSA-N",381464,NA,"PDBC16294","668052","Present",NA,NA
+"16295","2-Methoxy-3,4-dihydropyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-3,4-dihydropyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide",NA,"COP1(=O)NCC2=C(O1)C=CC=N2","JASLVNSPYXJQKQ-UHFFFAOYSA-N",395844,NA,"PDBC16295","700847","Present",NA,NA
+"16296","2-Methoxy-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"W-204029",NA,"COC1=NC2=C(C=CN2)C(=O)N1","VBKWGPQGJOITCT-UHFFFAOYSA-N",135474991,NA,"PDBC16296","622774","Present",NA,NA
+"16297","2-Methoxy-3,9-dimethyl-6-phenyl-5,8-dihydropyrimido[4,5-e][1,4]diazepine-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-3,9-dimethyl-6-phenyl-5,8-dihydropyrimido[4,5-e][1,4]diazepine-4,7-dione",NA,"CN1CC(=O)N(CC2=C1N=C(N(C2=O)C)OC)C3=CC=CC=C3","RHEGCRDCEABTMN-UHFFFAOYSA-N",54613014,NA,"PDBC16297","749856","Present",NA,NA
+"16298","2-Methoxy-3-[3-[3-(2-methoxy-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)propyldisulfanyl]propyl]-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-3-[3-[3-(2-methoxy-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propyldisulfanyl]propyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one",NA,"COC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1CCCSSCCCN4C(=O)C5=C(N=C4OC)SC6=C5CCCC6","PHZDCXWFIUPVKG-UHFFFAOYSA-N",392003,NA,"PDBC16298","691799","Present",NA,NA
+"16299","2-Methoxy-3-[[3-(4-methoxyphenyl)-3,3a,4,5-tetrahydrobenzo[g]indazol-2-yl]sulfonyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-3-{[3-(4-methoxyphenyl)-3,3a,4,5-tetrahydro-2h-benzo[g]indazol-2-yl]sulfonyl}benzoic acid",NA,"COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2S(=O)(=O)C5=CC=CC(=C5OC)C(=O)O","YLLOTZQZGMJJGS-UHFFFAOYSA-N",403620,NA,"PDBC16299","718688","Present",NA,NA
+"16300","2-Methoxy-3-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-3-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one",NA,"CN1C(=O)C2=C(NC=C2)N=C1OC","KDRGWXUADIRGKJ-UHFFFAOYSA-N",360598,NA,"PDBC16300","622773","Present",NA,NA
+"16301","2-Methoxy-3-methyl-4(3H)-pteridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-3-methyl-4(3H)-pteridinone",NA,"CN1C(=O)C2=NC=CN=C2N=C1OC","UFYWFIUNQLHSKU-UHFFFAOYSA-N",379344,NA,"PDBC16301","663891","Present",NA,NA
+"16302","2-Methoxy-3-methyl-5,6-bis-(3,4,5-trihydroxy-tetrahydro-pyran-2-ylamino)-3H-pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-3-methyl-5,6-bis-(3,4,5-trihydroxy-tetrahydro-pyran-2-ylamino)-3H-pyrimidin-4-one",NA,"CN1C(=O)C(=C(N=C1OC)NC2C(C(C(CO2)O)O)O)NC3C(C(C(CO3)O)O)O","XFUZIPUVDCONGJ-UHFFFAOYSA-N",375433,NA,"PDBC16302","655156","Present",NA,NA
+"16303","2-Methoxy-3-methyl-6-((triphenylphosphoranylidene)amino)-4(3H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-3-methyl-6-((triphenylphosphoranylidene)amino)-4(3H)-pyrimidinone",NA,"CN1C(=O)C=C(N=C1OC)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","RMPJGFBVJTXLRV-UHFFFAOYSA-N",389798,NA,"PDBC16303","686402","Present",NA,NA
+"16304","2-Methoxy-3-methyl-6-(1,2,3-trihydroxypropyl)-5,6-dihydro-4(3H)-pteridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663889///NSC663890",NA,"CN1C(=O)C2=C(N=CC(N2)C(C(CO)O)O)N=C1OC","CAQVDIDTLSKKGR-UHFFFAOYSA-N",379343,NA,"PDBC16304","663889///663890","Present",NA,NA
+"16305","2-Methoxy-3-methyl-7-(1,2,3-trihydroxypropyl)pteridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645746///NSC645747",NA,"CN1C(=O)C2=NC=C(N=C2N=C1OC)C(C(CO)O)O","ZMKXNUAQSJMCTP-UHFFFAOYSA-N",371473,NA,"PDBC16305","645746///645747","Present",NA,NA
+"16306","2-Methoxy-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-4,4-bis(trifluoromethyl)-1,3,2-benzodioxaphosphepin-5(4H)-one 2-oxide",NA,"COP1(=O)OC2=CC=CC=C2C(=O)C(O1)(C(F)(F)F)C(F)(F)F","RARJHOZZASATBD-UHFFFAOYSA-N",374924,NA,"PDBC16306","653509","Present",NA,NA
+"16307","2-Methoxy-4,4-dimethyl-2-pentadecylmorpholin-4-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-4,4-dimethyl-2-pentadecylmorpholin-4-ium iodide",NA,"CCCCCCCCCCCCCCCC1(C[N+](CCO1)(C)C)OC.[I-]","FWWPGODCCDPVGI-UHFFFAOYSA-M",381050,NA,"PDBC16307","667070","Present",NA,NA
+"16308","2-Methoxy-4,5-dinitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000169",NA,"COC1=CC(=C(C=C1N)[N+](=O)[O-])[N+](=O)[O-]","RAGDZFDTRGPPFN-UHFFFAOYSA-N",354527,NA,"PDBC16308","606532","Present",NA,NA
+"16309","2-Methoxy-4-(6-methoxy-2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methoxy-4-(7-methoxy-2-phenylbenzo[d]imidazo[2,1-b][1,...",NA,"COC1=CC2=C(C=C1)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC(=C(C=C5)O)OC","CUEMZRKXHHJECX-UHFFFAOYSA-N",155813113,NA,"PDBC16309","755302","Present",NA,NA
+"16310","2-Methoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C=C5)O)OC","VJXYCGBOCOGNJF-UHFFFAOYSA-N",380573,NA,"PDBC16310","666223","Present",NA,NA
+"16311","2-Methoxy-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine",NA,"COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)NC(=S)S2","UFTPGSRNSYAVIA-GDNBJRDFSA-N",5469595,NA,"PDBC16311","690616","Present",NA,NA
+"16312","2-Methoxy-4-[(1Z)-2-nitroprop-1-en-1-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2-methoxy-4-(2-nitropropenyl)-///NSC57759",NA,"CC(=CC1=CC(=C(C=C1)O)OC)[N+](=O)[O-]","FDLWTEUMNRJFCS-ALCCZGGFSA-N",5354204,NA,"PDBC16312","3298///57759","Present",NA,NA
+"16313","2-Methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-4-(3,4,5-trimethoxybenzyl)phenol",NA,"COC1=CC(=CC(=C1OC)OC)CC2=CC(=C(C=C2)O)OC","KFXKATJJSRKYBZ-UHFFFAOYSA-N",368064,NA,"PDBC16313","638388","Present",NA,NA
+"16314","2-Methoxy-4-[(E)-1,3,4-thiadiazol-2-yliminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-4-[(E)-1,3,4-thiadiazol-2-yliminomethyl]phenol",NA,"COC1=C(C=CC(=C1)C=NC2=NN=CS2)O","YPGAMVQCBOCCLU-VZUCSPMQSA-N",135483975,NA,"PDBC16314","635952","Present",NA,NA
+"16315","2-Methoxy-4-methyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-4-methyl-2,3-dihydrofuro[3,2-h]quinolin-5-yl acetate",NA,"CC1=C2CC(OC2=C3C(=C1OC(=O)C)C=CC=N3)OC","XRBRGHBLGUBUJJ-UHFFFAOYSA-N",391200,NA,"PDBC16315","690033","Present",NA,NA
+"16316","2-Methoxy-4H-[1,3,2]dioxaphosphinino[5,4-c]pyridine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-4H-[1,3,2]dioxaphosphinino[5,4-c]pyridine 2-oxide",NA,"COP1(=O)OCC2=C(O1)C=CN=C2","BWQQLEVQSRJTEZ-UHFFFAOYSA-N",393777,NA,"PDBC16316","696461","Present",NA,NA
+"16317","2-Methoxy-5,6-dimethyl-4-(3,4,5-trimethoxyphenyl)nicotinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-5,6-dimethyl-4-(3,4,5-trimethoxyphenyl)nicotinonitrile",NA,"CC1=C(N=C(C(=C1C2=CC(=C(C(=C2)OC)OC)OC)C#N)OC)C","WPBHISVYRNFNIR-UHFFFAOYSA-N",372050,NA,"PDBC16317","646910","Present",NA,NA
+"16318","2-Methoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-5,7,8,13,13a,14-hexahydroisoquino[3,2-b][3]benzazepine",NA,"COC1=CC2=C(CN3CCC4=CC=CC=C4CC3C2)C=C1","VFCXCFPRBFQFOF-UHFFFAOYSA-N",392606,NA,"PDBC16318","693146","Present",NA,NA
+"16319","2-Methoxy-5-((4-methyl-2-oxo-1,2-dihydro-quinolin-6-yl)methyl)benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methoxy-5-((4-methyl-2-oxo-1,2-dihydro-quinolin-6-yl)m...",NA,"CC1=CC(=O)NC2=C1C=C(C=C2)CC3=CC(=C(C=C3)OC)S(=O)(=O)O","WGEZAODXRMUXFG-UHFFFAOYSA-N",268982,NA,"PDBC16319","109483","Present",NA,NA
+"16320","2-Methoxy-5-(3,4,5-trimethoxybenzyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000355",NA,"COC1=C(C=C(C=C1)CC2=CC(=C(C(=C2)OC)OC)OC)O","JFZDWXGLUXEEAY-UHFFFAOYSA-N",372869,NA,"PDBC16320","648581","Present",NA,NA
+"16321","2-Methoxy-5-(8-oxothieno[2,3-b]pyrrolizin-3-yl)phenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Hydroxy-4-methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin...",NA,"COC1=C(C=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O)[O-]","IXGRUAKWRHZSAP-UHFFFAOYSA-M",155812989,NA,"PDBC16321","763847","Present",NA,NA
+"16322","2-Methoxy-5-(phenothiazin-10-ylmethyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788065",NA,"COC1=C(C=C(C=C1)CN2C3=CC=CC=C3SC4=CC=CC=C42)O","FRTSQHXZCSVXNK-UHFFFAOYSA-N",134137948,NA,"PDBC16322","788065","Present",NA,NA
+"16323","2-Methoxy-5-(pyridin-4-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK605714A",NA,"COC1=C(C=C(C=C1)C2=CC=NC=C2)C(=O)N","QEYUQXQAUUYZDC-UHFFFAOYSA-N",25190924,NA,"PDBC16323","756181","Present",NA,NA
+"16324","2-Methoxy-5-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1H-5-imidazolylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methoxy-5-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl...",NA,"COC1=C(C=C(C=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=CC(=C(C(=C5S4)OC)OC)OC)N","PTGOPXUJJOZNIM-UHFFFAOYSA-N",60147797,NA,"PDBC16324","752442","Present",NA,NA
+"16325","2-Methoxy-5-[(E)-3-(1,2,4-triazol-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-5-(3-(1H-1,2,4-triazol-1-yl)-3-(3,4,5-trimethoxyphen...",NA,"COC1=C(C=C(C=C1)C=CC(C2=CC(=C(C(=C2)OC)OC)OC)N3C=NC=N3)O","IJDFUVKTKNKRPT-FNORWQNLSA-N",155812177,NA,"PDBC16325","788807","Present",NA,NA
+"16326","2-Methoxy-5-[1,2,4-triazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((1H-1,2,4-triazol-1-yl)(3,4,5-trimethoxyphenyl)methyl...",NA,"COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C=NC=N3)O","JAVAHBFKPLQFKG-UHFFFAOYSA-N",155812073,NA,"PDBC16326","788805","Present",NA,NA
+"16327","2-Methoxy-5-methylidene-2,3,4,4a,6,7,8,8a-octahydrochromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-5-methylidene-2,3,4,4a,6,7,8,8a-octahydrochromene",NA,"COC1CCC2C(O1)CCCC2=C","GGLLEFPUPGJBBI-UHFFFAOYSA-N",358283,NA,"PDBC16327","618225","Present",NA,NA
+"16328","2-Methoxy-5H-isoindolo[2,1-A]quinoxalin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2- METHOXY-5H-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE",NA,"COC1=CC2=C(C=C1)NC(=O)C3=C4C=CC=CC4=CN23","LFRMXMYKXRCNJD-UHFFFAOYSA-N",54612828,NA,"PDBC16328","747524","Present",NA,NA
+"16329","2-Methoxy-5H-pyrido[3,5]pyrrolo[3,2-c]cinnoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methoxy-5H-pyrido[3,2:4,5]pyrrolo[3,2-c]cinnoline",NA,"COC1=CC2=C(C=C1)C3=C(C4=C(N3)N=CC=C4)N=N2","AOCIVXMWBPBAKU-UHFFFAOYSA-N",54613488,NA,"PDBC16329","749296","Present",NA,NA
+"16330","2-Methoxy-6,11-dihydro-5H-benzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6,11-dihydro-5H-benzo[a]carbazole",NA,"COC1=CC2=C(CCC3=C2NC4=CC=CC=C34)C=C1","CVNAOQQKBZSDEJ-UHFFFAOYSA-N",390896,NA,"PDBC16330","689071","Present",NA,NA
+"16331","2-Methoxy-6,7,8,13,14,15-hexahydro-5H-benzo[7,8]cyclodeca[1,2-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6,7,8,13,14,15-hexahydro-5H-benzo[7,8]cyclodeca[1,2-b]indole",NA,"COC1=CC2=C(CCCCC3=C(CC2)NC4=CC=CC=C34)C=C1","OOPFTNTUTIQZAX-UHFFFAOYSA-N",372333,NA,"PDBC16331","647391","Present",NA,NA
+"16332","2-Methoxy-6,8-diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6,8-diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,"COC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=CC=C4","OLQVWBZPEYTJHV-UHFFFAOYSA-N",135489872,NA,"PDBC16332","686601","Present",NA,NA
+"16333","2-Methoxy-6-((triphenylphosphoranylidene)amino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6-((triphenylphosphoranylidene)amino)-4-pyrimidinol",NA,"COC1=NC(=CC(=O)N1)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","NLIDPNHAYRHPQA-UHFFFAOYSA-N",135489870,NA,"PDBC16333","686401","Present",NA,NA
+"16334","2-Methoxy-6-(4-methoxyphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6-(4-methoxyphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,"COC1=CC=C(C=C1)C2=NC3=C(NC(C2)C4=CC=CC=C4)N=C(NC3=O)OC","DVNAEUBGCBDOSE-UHFFFAOYSA-N",135434003,NA,"PDBC16334","686607","Present",NA,NA
+"16335","2-Methoxy-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,"COC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]","FGYQVLHXVKAVJJ-UHFFFAOYSA-N",135489874,NA,"PDBC16335","686609","Present",NA,NA
+"16336","2-Methoxy-6-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6-(7-methyl-6-(1-piperidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCCC4)OCO3)C5=C(C(=CC=C5)OC)O","NTGCRYUQXNVBHI-UHFFFAOYSA-N",381383,NA,"PDBC16336","667923","Present",NA,NA
+"16337","2-Methoxy-6-(7-methyl-6-(2-phenylhydrazino)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methoxy-6-(7-methyl-6-(2-phenylhydrazinyl)-7,8-dihydro...",NA,"CC1C(C2=CC3=C(C=C2OC1NNC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)O","YUFWLCGNALQQFC-UHFFFAOYSA-N",381389,NA,"PDBC16337","667929","Present",NA,NA
+"16338","2-Methoxy-6-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C(=CC=C5)OC)O","RBEXOAWNMJODKC-UHFFFAOYSA-N",380564,NA,"PDBC16338","666214","Present",NA,NA
+"16339","2-Methoxy-6-(7-phenyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6-(7-phenyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)phenol",NA,"COC1=CC=CC(=C1O)C2C(C(OC3=CC4=C(C=C23)OCO4)N5CCCC5)C6=CC=CC=C6","SXAHPUYYJNJKLC-UHFFFAOYSA-N",380586,NA,"PDBC16339","666236","Present",NA,NA
+"16340","2-Methoxy-6-[(2-methyl-4-nitro-imidazol-1-yl)methyl]tetrahydropyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6-[(2-methyl-4-nitro-imidazol-1-yl)methyl]tetrahydropyran-3,4,5-triol",NA,"CC1=NC(=CN1CC2C(C(C(C(O2)OC)O)O)O)[N+](=O)[O-]","KXJFFDBLAAAJLX-UHFFFAOYSA-N",394934,NA,"PDBC16340","699034","Present",NA,NA
+"16341","2-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol",NA,"COC1=CC2=C(C=C1)OCC3(C2OC4=CC=CC=C4C3)O","KJWGTLQETOBHLL-UHFFFAOYSA-N",387601,NA,"PDBC16341","681610","Present",NA,NA
+"16342","2-Methoxy-6H-chromeno[4,3-b]chromen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6H-chromeno[4,3-b]chromen-7-one",NA,"COC1=CC2=C(C=C1)OCC3=C2OC4=CC=CC=C4C3=O","GEZYLPPXOIRWMN-UHFFFAOYSA-N",387609,NA,"PDBC16342","681618","Present",NA,NA
+"16343","2-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,"COC1=CC2=C(C=C1)OCC3C2OC4=CC=CC=C4C3","VEAXMKIMFKZGIO-UHFFFAOYSA-N",387586,NA,"PDBC16343","681595","Present",NA,NA
+"16344","2-Methoxy-7-benzyl-3-(phenylsulfonyl)-6,4-h]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methoxy-7-benzyl-3-(phenylsulfonyl)-6,7-dihydro-5H-pyr...",NA,"COC1=C(C=C2CCC3=C(C2=N1)C=NN3CC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","BUDICWLKCLEBBD-UHFFFAOYSA-N",54613023,NA,"PDBC16344","750762","Present",NA,NA
+"16345","2-Methoxy-7-nitro-benzo[f]quinoline-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-7-nitro-benzo[f]quinoline-6-carboxylic acid",NA,"COC1=CC2=C(C=C(C3=C2C=CC=C3[N+](=O)[O-])C(=O)O)N=C1","UQTQWIJEOXVLEZ-UHFFFAOYSA-N",356127,NA,"PDBC16345","611219","Present",NA,NA
+"16346","2-Methoxy-N-(4-((methoxy(phenyl)acetyl)amino)butyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-N-(4-((methoxy(phenyl)acetyl)amino)butyl)-2-phenylacetamide",NA,"COC(C1=CC=CC=C1)C(=O)NCCCCNC(=O)C(C2=CC=CC=C2)OC","CCGUGNVLMHWGRI-UHFFFAOYSA-N",361477,NA,"PDBC16346","624514","Present",NA,NA
+"16347","2-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide",NA,"COC1=CC=C(C=C1)NS(=O)C2=CC=CC=C2OC","BVUJRKYSZHNFQL-UHFFFAOYSA-N",385391,NA,"PDBC16347","676565","Present",NA,NA
+"16348","2-Methoxy-N-[(octahydro-2H-quinolizin-1-yl)methyl]-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-N-[(octahydro-2H-quinolizin-1-yl)methyl]-benzamide",NA,"COC1=CC=CC=C1C(=O)NCC2CCCN3C2CCCC3","AMOKRMWLMZIUII-UHFFFAOYSA-N",390679,NA,"PDBC16348","688315","Present",NA,NA
+"16349","2-Methoxy-N-[[5-[8-[5-[(2-methoxyanilino)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-N-[[5-[8-[5-[(2-methoxyanilino)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methyl]aniline",NA,"COC1=CC=CC=C1NCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)CNC4=CC=CC=C4OC","ZTRUAXWELXCHHI-UHFFFAOYSA-N",395650,NA,"PDBC16349","700432","Present",NA,NA
+"16350","2-Methoxy-N-phenylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000017",NA,"COC1=CC=CC=C1S(=O)NC2=CC=CC=C2","OTXQHEDKVIDYBR-UHFFFAOYSA-N",385387,NA,"PDBC16350","676561","Present",NA,NA
+"16351","2-Methoxybenzo[f]quinoline-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxybenzo[f]quinoline-6-carboxylic acid",NA,"COC1=CC2=C(C=C(C3=CC=CC=C32)C(=O)O)N=C1","NOEXYMDIPMWNNN-UHFFFAOYSA-N",356222,NA,"PDBC16351","611376","Present",NA,NA
+"16352","2-Methoxyestra-2,4,17-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxyestra-2,5(10)-dien-1,4,17-trione",NA,"CC12CCC3C(C1CCC2=O)CCC4=C3C(=O)C(=CC4=O)OC","NIYYSRYLUXVAOB-MJXOLFLWSA-N",401659,NA,"PDBC16352","715367","Present",NA,NA
+"16353","2-Methoxyethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mecs",NA,"COCCO","XNWFRZJHXBZDAG-UHFFFAOYSA-N",8019,NA,"PDBC16353","1258","Present",NA,NA
+"16354","2-Methoxyethyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxyethyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCCOC","NXIHDOWRGODOSC-UHFFFAOYSA-N",404550,NA,"PDBC16354","720800","Present",NA,NA
+"16355","2-Methoxyethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxyethyl N-[(4-phenyltriazol-1-yl)methyl]carbamate",NA,"COCCOC(=O)NCN1C=C(N=N1)C2=CC=CC=C2","NNANTFCWKPIQCI-UHFFFAOYSA-N",386635,NA,"PDBC16355","679089","Present",NA,NA
+"16356","2-Methoxypavinane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxypavinane",NA,"COC1=CC2=C(C=C1)C3CC4=CC=CC=C4C(C2)N3","FHBSFCJCNPLLLA-UHFFFAOYSA-N",371201,NA,"PDBC16356","645251","Present",NA,NA
+"16357","2-Methoxyphenazine, 5,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methoxyphenazine, 5,10-dioxide///NSC54765",NA,"COC1=CC2=C(C=C1)[N+](=O)C3=CC=CC=C3N2[O-]","KEQNUKOWWOSBSJ-UHFFFAOYSA-N",228616,NA,"PDBC16357","21669///54765","Present",NA,NA
+"16358","2-Methoxysulfinylethyl 2-[[2-(2-methoxysulfinylethoxycarbonyl)phenyl]disulfanyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxysulfinylethyl 2-[[2-(2-methoxysulfinylethoxycarbonyl)phenyl]disulfanyl]benzoate",NA,"COS(=O)CCOC(=O)C1=CC=CC=C1SSC2=CC=CC=C2C(=O)OCCS(=O)OC","GOXHAPZOFRETRJ-UHFFFAOYSA-N",361230,NA,"PDBC16358","624187","Present",NA,NA
+"16359","2-Methyl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl estradiol",NA,"CC1=CC2=C(CCC3C2CCC4(C3CCC4O)C)C=C1O","PAZNMSHBVDFVSA-NNYOOSKESA-N",66425,NA,"PDBC16359","666605","Present",NA,NA
+"16360","2-Methyl(1,3)oxazolo(5,4-d)pyrimidin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CTN05P42B3",NA,"CC1=NC2=C(N=CN=C2O1)N","NEVSXJRPMXLBPO-UHFFFAOYSA-N",283158,NA,"PDBC16360","137470","Present",NA,NA
+"16361","2-Methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KXTFJTOIFJXVFJ-UHFFFAOYSA-N",NA,"CN1C(=O)CNS1(=O)=O","KXTFJTOIFJXVFJ-UHFFFAOYSA-N",364077,NA,"PDBC16361","629716","Present",NA,NA
+"16362","2-Methyl-1,2-benzothiazole-3(2h)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-benzisothiazoline-3-thione, 2-methyl- (8ci)",NA,"CN1C(=S)C2=CC=CC=C2S1","RHJDOWRMOQVRAU-UHFFFAOYSA-N",292326,NA,"PDBC16362","158036","Present",NA,NA
+"16363","2-Methyl-1,3,2lambda~5~-dioxaphosphinan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,2-Dioxaphosphorinane, 2-methyl-, 2-oxide",NA,"CP1(=O)OCCCO1","SKEMFEUSYWGOKR-UHFFFAOYSA-N",397386,NA,"PDBC16363","705130","Present",NA,NA
+"16364","2-Methyl-1,3,4(2H)-quinolinetriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1,3,4(2H)-quinolinetriol",NA,"CC1C(=C(C2=CC=CC=C2N1O)O)O","IGXAUNSZMVQABP-UHFFFAOYSA-N",364685,NA,"PDBC16364","631319","Present",NA,NA
+"16365","2-Methyl-1,3,6-trioxo-5-phenyl-2,3-dihydro-1H,6H-2,6a,10b-triazafluoranthen-4-yl dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Methyl-2,4,8-trioxo-7-phenyl-1,3,9-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,10,12,14-pentaen-6-yl) N,N-dimethylcarbamate",NA,"CN1C(=O)C2=C3N(C4=CC=CC=C4N3C1=O)C(=O)C(=C2OC(=O)N(C)C)C5=CC=CC=C5","JEXAGUKOOHPIFI-UHFFFAOYSA-N",364729,NA,"PDBC16365","631387","Present",NA,NA
+"16366","2-Methyl-1,3-benzoxazepin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1,3-benzoxazepin-5-ol",NA,"CC1=NC=C(C2=CC=CC=C2O1)O","BRJXQLDKTUBNFR-UHFFFAOYSA-N",371951,NA,"PDBC16366","646708","Present",NA,NA
+"16367","2-Methyl-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide",NA,"CC1=[N+](C=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","AFYWCAILLFORLV-UHFFFAOYSA-N",137630755,NA,"PDBC16367","790458","Present",NA,NA
+"16368","2-Methyl-1,3-diphenylpyrrolo[3,4-b]phenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1,3-diphenyl-2h-pyrrolo[3,4-b]phenazine",NA,"CN1C(=C2C=C3C(=CC2=C1C4=CC=CC=C4)N=C5C=CC=CC5=N3)C6=CC=CC=C6","BLDTUYINCUGWAS-UHFFFAOYSA-N",403430,NA,"PDBC16368","718231","Present",NA,NA
+"16369","2-Methyl-1,4-dihydro-3(2H)-cinnolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1,4-dihydro-3(2H)-cinnolinone",NA,"CN1C(=O)CC2=CC=CC=C2N1","JZHCXSLZJKTIGR-UHFFFAOYSA-N",368586,NA,"PDBC16369","639682","Present",NA,NA
+"16370","2-Methyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1,5,6,7-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-3-one",NA,"CN1C(=O)N2CCCNC2=N1","NMQBWNYKBRHLBU-UHFFFAOYSA-N",385165,NA,"PDBC16370","676172","Present",NA,NA
+"16371","2-Methyl-1-(1-naphthyl)-2-thiopseudourea hydriodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659172",NA,"CSC(=NC1=CC=CC2=CC=CC=C21)N.I","PIASGSZAFYXOKO-UHFFFAOYSA-N",377598,NA,"PDBC16371","659172","Present",NA,NA
+"16372","2-Methyl-1-(2,3,4,5,6-pentafluorobenzoyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-(2,3,4,5,6-pentafluorobenzoyl)-1H-benzimidazole",NA,"CC1=NC2=CC=CC=C2N1C(=O)C3=C(C(=C(C(=C3F)F)F)F)F","DJOROBASCMRIJL-UHFFFAOYSA-N",383504,NA,"PDBC16372","671889","Present",NA,NA
+"16373","2-Methyl-1-(2-methylphenyl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-(2-methylphenyl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=CC=CC=C1N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)C","ODTYWKNSOSCADS-UHFFFAOYSA-N",229012,NA,"PDBC16373","22347","Present",NA,NA
+"16374","2-Methyl-1-[10-(2-methyl-4-oxoquinolin-1-yl)decyl]quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-[10-(2-methyl-4-oxo-1-quinolyl)decyl]quinolin-4-one",NA,"CC1=CC(=O)C2=CC=CC=C2N1CCCCCCCCCCN3C(=CC(=O)C4=CC=CC=C43)C","NILWCEHLEMQHIK-UHFFFAOYSA-N",387889,NA,"PDBC16374","682098","Present",NA,NA
+"16375","2-Methyl-1-ethyl diazopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-ethyl diazopropanoate",NA,"CC(=[N+]=[N-])C(=O)OCCOC","XUARVATXCDKGCS-UHFFFAOYSA-N",386726,NA,"PDBC16375","679275","Present",NA,NA
+"16376","2-Methyl-1-oxo-1H-[1,2,4]triazino[4,3-a]quinoline-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-oxo-1H-[1,2,4]triazino[4,3-a]quinoline-6-carboxylic acid",NA,"CC1=NN=C2C=C(C3=CC=CC=C3N2C1=O)C(=O)O","SGYJPZHZULMSQZ-UHFFFAOYSA-N",379478,NA,"PDBC16376","664032","Present",NA,NA
+"16377","2-Methyl-1-phenyl-1h-naphtho[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-phenyl-1h-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=NC2=C(N1C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O","OEDRMYVGCFCZHE-UHFFFAOYSA-N",229011,NA,"PDBC16377","22346","Present",NA,NA
+"16378","2-Methyl-1-propyl-1h-naphtho[2,3-d]imidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-propyl-1h-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCCN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","QMYKJMRDHQMLOS-UHFFFAOYSA-N",285581,NA,"PDBC16378","142587","Present",NA,NA
+"16379","2-Methyl-1H-benzo[e]isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC407567",NA,"CN1C(=O)C2=C(C1=O)C3=CC=CC=C3C=C2","JVTIUKODBFHDLP-UHFFFAOYSA-N",250522,NA,"PDBC16379","407567","Present",NA,NA
+"16380","2-Methyl-1H-imidazo[4,5-d]pyridazin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1H-imidazo[4,5-d]pyridazin-4-ol",NA,"CC1=NC2=C(N1)C=NNC2=O","QSHAJDUVVRZQFC-UHFFFAOYSA-N",135430103,NA,"PDBC16380","690589","Present",NA,NA
+"16381","2-Methyl-1H-imidazo[4,5-d]pyridazine-4-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1H-imidazo[4,5-d]pyridazine-4-thiol",NA,"CC1=NC2=C(N1)C=NNC2=S","MPLBNIFDWSXPGU-UHFFFAOYSA-N",135489885,NA,"PDBC16381","690590","Present",NA,NA
+"16382","2-Methyl-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,7-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-2,3,4,5-tetrahydro-1H-[1,3]diazepino[1,7-a]benzimidazole",NA,"CN1CCCC2=NC3=CC=CC=C3N2C1","XGDPLSSDVRDCJC-UHFFFAOYSA-N",373088,NA,"PDBC16382","649008","Present",NA,NA
+"16383","2-Methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dithiane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-2-(3,4,5-trimethoxyphenyl)-1,3-dithiane",NA,"CC1(SCCCS1)C2=CC(=C(C(=C2)OC)OC)OC","OBVMGBSOVFSAPT-UHFFFAOYSA-N",372300,NA,"PDBC16383","647359","Present",NA,NA
+"16384","2-Methyl-2-(quinazolin-4-ylamino)propane-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-2-(quinazolin-4-ylamino)propane-1,3-diol",NA,"CC(CO)(CO)NC1=NC=NC2=CC=CC=C21","JSZKNJOFAULIQU-UHFFFAOYSA-N",225095,NA,"PDBC16384","14179","Present",NA,NA
+"16385","2-Methyl-2-[4-(Naphthalen-1-Yl)phenoxy]propanoic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanoic acid, 2-methyl-2-[4-(1-naphthalenyl)phenoxy]-",NA,"CC(C)(C(=O)O)OC1=CC=C(C=C1)C2=CC=CC3=CC=CC=C32","JTWKEZBNKHBDAW-UHFFFAOYSA-N",327338,NA,"PDBC16385","302042","Present",NA,NA
+"16386","2-Methyl-2-phenyl-2,7-dihydro-1H-purine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-2-phenyl-2,7-dihydro-1H-purine-6-carboxamide",NA,"CC1(NC2=C(C(=N1)C(=O)N)NC=N2)C3=CC=CC=C3","NXRDQQYVTVYJMZ-UHFFFAOYSA-N",135409223,NA,"PDBC16386","670255","Present",NA,NA
+"16387","2-Methyl-2-phenylpropanehydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE31264",NA,"CC(C)(C1=CC=CC=C1)C(=O)NN","MQXCWWHSWXLWPJ-UHFFFAOYSA-N",348636,NA,"PDBC16387","408051","Present",NA,NA
+"16388","2-Methyl-2H-[1,2,4]triazine-3,5-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-2H-[1,2,4]triazine-3,5-dithione",NA,"CN1C(=S)NC(=S)C=N1","COGSYAPWYVZPQH-UHFFFAOYSA-N",3614437,NA,"PDBC16388","58974","Present",NA,NA
+"16389","2-Methyl-3(2H)-cinnolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3(2H)-cinnolinone",NA,"CN1C(=O)C=C2C=CC=CC2=N1","UNONIHHEHBHRDB-UHFFFAOYSA-N",368585,NA,"PDBC16389","639681","Present",NA,NA
+"16390","2-Methyl-3,4-dihydro-1H-isoquinoline-4,6,7-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TMIQ",NA,"CN1CC(C2=CC(=C(C=C2C1)O)O)O","PIJDIPDQQMXWEM-UHFFFAOYSA-N",157875,NA,"PDBC16390","693428","Present",NA,NA
+"16391","2-Methyl-3,5,6-trinitro-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3,5,6-trinitro-1H-indole",NA,"CC1=C(C2=CC(=C(C=C2N1)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","YLMNCYDKNWUIKS-UHFFFAOYSA-N",370348,NA,"PDBC16391","643410","Present",NA,NA
+"16392","2-Methyl-3,6-dinitro-1h-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC131889",NA,"CC1=C(C2=C(N1)C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","JEKLOMCNFGSKHY-UHFFFAOYSA-N",280305,NA,"PDBC16392","131889","Present",NA,NA
+"16393","2-Methyl-3-((4-methylphenyl)sulfinyl)-1,7-dioxaspiro[5.5]undec-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-((4-methylphenyl)sulfinyl)-1,7-dioxaspiro[5.5]undec-2-ene",NA,"CC1=CC=C(C=C1)S(=O)C2=C(OC3(CCCCO3)CC2)C","RHSGPDYRIJDAOZ-UHFFFAOYSA-N",386664,NA,"PDBC16393","679190","Present",NA,NA
+"16394","2-Methyl-3-(1-(methylthio)-3-butenyl)-1H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(1-(methylthio)-3-butenyl)-1H-inden-1-one",NA,"CC1=C(C2=CC=CC=C2C1=O)C(CC=C)SC","GWFPJWNIEWMHQR-UHFFFAOYSA-N",379029,NA,"PDBC16394","662791","Present",NA,NA
+"16395","2-Methyl-3-(1H-indazol-3-yl)quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(1H-indazol-3-yl)quinazolin-4(3H)-one",NA,"CC1=NC2=CC=CC=C2C(=O)N1C3=NNC4=CC=CC=C43","XSLMBPYRCMMILT-UHFFFAOYSA-N",439036,NA,"PDBC16395","702050","Present",NA,NA
+"16396","2-Methyl-3-(2-(2-methyl-1H-indol-3-yl)vinyl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(2-(2-methyl-1H-indol-3-yl)vinyl)-1H-indole",NA,"CC1=C(C2=CC=CC=C2N1)C=CC3=C(NC4=CC=CC=C43)C","MGQNZDPKLYABSX-VAWYXSNFSA-N",5387791,NA,"PDBC16396","627396","Present",NA,NA
+"16397","2-Methyl-3-(2-(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)ethyl)-1(2H)-isoquinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(2-(3-methyl-1-oxo-3,4-dihydro-1H-isochromen-3-yl)ethyl)-1(2H)-isoquinolinone",NA,"CC1(CC2=CC=CC=C2C(=O)O1)CCC3=CC4=CC=CC=C4C(=O)N3C","LSQMMMZICIWTQW-UHFFFAOYSA-N",383411,NA,"PDBC16397","671641","Present",NA,NA
+"16398","2-Methyl-3-(2-chlorophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Chlorophenyl)-1-methyl-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile",NA,"CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=CC=C3Cl","DJWNNNLYEYOYQT-UHFFFAOYSA-N",363803,NA,"PDBC16398","629017","Present",NA,NA
+"16399","2-Methyl-3-(2-methyl-1-propenyl)-2-(phenylthio)cyclobutanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(2-methyl-1-propenyl)-2-(phenylthio)cyclobutanone",NA,"CC(=CC1CC(=O)C1(C)SC2=CC=CC=C2)C","NQSBNNWHZPHDBL-UHFFFAOYSA-N",371744,NA,"PDBC16399","646187","Present",NA,NA
+"16400","2-Methyl-3-(2-methylbutan-2-yl)benzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-(2-methylbutan-2-yl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCC(C)(C)N1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","NBPDIQCIGBQUMK-UHFFFAOYSA-N",374258,NA,"PDBC16400","651759","Present",NA,NA
+"16401","2-Methyl-3-(2-methylbutyl)benzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-(2-methylbutyl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCC(C)CN1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","RWPQDVHNMXOKFE-UHFFFAOYSA-N",374259,NA,"PDBC16401","651760","Present",NA,NA
+"16402","2-Methyl-3-(2-methylpropyl)benzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-(2-methylpropyl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=NC2=C(N1CC(C)C)C(=O)C3=CC=CC=C3C2=O","LMXCIDYZXHSDLV-UHFFFAOYSA-N",374253,NA,"PDBC16402","651754","Present",NA,NA
+"16403","2-Methyl-3-(2-phenylhydrazinyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Methyl-2-(2-phenylhydrazono)-1,2-dihydroquinoxaline",NA,"CC1=NC2=CC=CC=C2N=C1NNC3=CC=CC=C3","LGFSRIOYSFTORO-UHFFFAOYSA-N",353494,NA,"PDBC16403","601980","Present",NA,NA
+"16404","2-Methyl-3-(3-methylbutyl)benzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-(3-methylbutyl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=NC2=C(N1CCC(C)C)C(=O)C3=CC=CC=C3C2=O","ZXDUHLILVJMEQX-UHFFFAOYSA-N",374257,NA,"PDBC16404","651758","Present",NA,NA
+"16405","2-Methyl-3-(4-bromophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Bromophenyl)-1-methyl-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile",NA,"CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)Br","GTRRWYMZCUABKR-UHFFFAOYSA-N",363797,NA,"PDBC16405","629011","Present",NA,NA
+"16406","2-Methyl-3-(4-chlorophenyl)-6-cyano-7-methyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Chlorophenyl)-1,3-dimethyl-5-oxo-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile",NA,"CC1=C(C(=O)CC(N(N1)C)C2=CC=C(C=C2)Cl)C#N","KMDJILMPXLKKDP-UHFFFAOYSA-N",363801,NA,"PDBC16406","629015","Present",NA,NA
+"16407","2-Methyl-3-(4-chlorophenylazo)-6-chloro-4H-pyrimido[2,1-b]benzothiazole-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(4-chlorophenylazo)-6-chloro-4H-pyrimido[2,1-b]benzothiazole-4-one",NA,"CC1=C(C(=O)N2C3=C(C=CC=C3Cl)SC2=N1)N=NC4=CC=C(C=C4)Cl","PMAANTJSXRDRNZ-UHFFFAOYSA-N",397289,NA,"PDBC16407","704842","Present",NA,NA
+"16408","2-Methyl-3-(4-dimethylaminophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(4-dimethylaminophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one",NA,"CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)N(C)C","JHTSKPQOJQDZPZ-UHFFFAOYSA-N",363802,NA,"PDBC16408","629016","Present",NA,NA
+"16409","2-Methyl-3-(4-fluorophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Fluorophenyl)-1-methyl-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile",NA,"CN1C(CC(=O)C(=C(N1)C2=CC=CC=C2)C#N)C3=CC=C(C=C3)F","YBFSYPCQMYYGRU-UHFFFAOYSA-N",363796,NA,"PDBC16409","629010","Present",NA,NA
+"16410","2-Methyl-3-(4-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(4-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one",NA,"CC1=CSC(=N1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C","NAZYMHSRBBFUNZ-UHFFFAOYSA-N",399242,NA,"PDBC16410","709915","Present",NA,NA
+"16411","2-Methyl-3-(4-morpholinyl)-1,3-diphenyl-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(4-morpholinyl)-1,3-diphenyl-1-propanone",NA,"CC(C(C1=CC=CC=C1)N2CCOCC2)C(=O)C3=CC=CC=C3","RUSXYSPNUUXXDR-UHFFFAOYSA-N",288940,NA,"PDBC16411","150316","Present",NA,NA
+"16412","2-Methyl-3-(5-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(5-methylthiazole-2-yl)-7-chloroquinazoline-4(3H)-one",NA,"CC1=CN=C(S1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C","DMTKSTNSYIIGPV-UHFFFAOYSA-N",399240,NA,"PDBC16412","709913","Present",NA,NA
+"16413","2-Methyl-3-(5-nitro-2-furyl)-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-5-(5-nitrofuran-2-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole",NA,"CN1C(CC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC=C(O3)[N+](=O)[O-]","UYHSZQLQNVHIOV-UHFFFAOYSA-N",369501,NA,"PDBC16413","641279","Present",NA,NA
+"16414","2-Methyl-3-(m-tolyl)-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679211///NSC679212",NA,"CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C=C(C=C3)NC4C(C(C(C(O4)CO)O)O)O)C","FTJUOHLXJJXQOC-UHFFFAOYSA-N",386683,NA,"PDBC16414","679211///679212","Present",NA,NA
+"16415","2-Methyl-3-(methoxycarbonyl)-4-hydroxy-7-chloro-2H-1,2-benzothiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3-(hydroxy-methoxy-methylene)-2-methyl-1,1-dioxo-benzo[e]thiazin-4-one",NA,"CN1C(=C(C2=C(S1(=O)=O)C=C(C=C2)Cl)O)C(=O)OC","MPQNKMJYFWTMOR-UHFFFAOYSA-N",54686247,NA,"PDBC16415","698129","Present",NA,NA
+"16416","2-Methyl-3-(phenyltelluro)-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(phenyltelluro)-1,4-naphthoquinone",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)[Te]C3=CC=CC=C3","BKVMNWGUHUWTBP-UHFFFAOYSA-N",11090122,NA,"PDBC16416","748878","Present",NA,NA
+"16417","2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(phenylthio)-3,4-pentadien-2-ol",NA,"CC(C)(C(=C=C)SC1=CC=CC=C1)O","NQJHYMGNYWTYEN-UHFFFAOYSA-N",373327,NA,"PDBC16417","649471","Present",NA,NA
+"16418","2-Methyl-3-(tris(phenylthio)methyl)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-(tris(phenylthio)methyl)cyclopentanone",NA,"CC1C(CCC1=O)C(SC2=CC=CC=C2)(SC3=CC=CC=C3)SC4=CC=CC=C4","FRLFUBHLIMXIRF-UHFFFAOYSA-N",361932,NA,"PDBC16418","625413","Present",NA,NA
+"16419","2-Methyl-3-[(4-methylphenyl)methyl]benzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-(4-methylbenzyl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=CC=C(C=C1)CN2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)C","HFYBQAZYXYTMPV-UHFFFAOYSA-N",374276,NA,"PDBC16419","651777","Present",NA,NA
+"16420","2-Methyl-3-[(E)-2-oxo-2-(4-methoxyphenyl)ethylidene]-2H-isoindole-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-[(E)-2-oxo-2-(4-methoxyphenyl)ethylidene]-2H-isoindole-1(3H)-one",NA,"CN1C(=CC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3C1=O","UPOVHJCJCOPYNW-LFIBNONCSA-N",5472239,NA,"PDBC16420","717161","Present",NA,NA
+"16421","2-Methyl-3-[3-(3-chlorophenyl)thioureido]quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-[3-(3-chlorophenyl)thioureido]quinazolin-4(3H)-one",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC(=CC=C3)Cl","WQUFIYFFBLFZQN-UHFFFAOYSA-N",3001682,NA,"PDBC16421","653937","Present",NA,NA
+"16422","2-Methyl-3-[3-(3-methoxyphenyl)thioureido]quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-[3-(3-methoxyphenyl)thioureido]quinazolin-4(3H)-one",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC(=CC=C3)OC","DCTXTAYTEMQACC-UHFFFAOYSA-N",3001684,NA,"PDBC16422","653938","Present",NA,NA
+"16423","2-Methyl-3-methylsulfanyl-1,2,4-triazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-methylsulfanyl-1,2,4-triazin-5-one",NA,"CN1C(=NC(=O)C=N1)SC","FHWKXBUKNWZSIL-UHFFFAOYSA-N",388792,NA,"PDBC16423","683879","Present",NA,NA
+"16424","2-Methyl-3-nitropropenoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-nitropropenoic acid methyl ester",NA,"CC(=C[N+](=O)[O-])C(=O)OC","USIWNCYWAGSARG-ONEGZZNKSA-N",5387120,NA,"PDBC16424","620556","Present",NA,NA
+"16425","2-Methyl-3-pentan-2-ylbenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-(pentan-2-yl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCCC(C)N1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","QJQFFLAMFYEEEG-UHFFFAOYSA-N",374255,NA,"PDBC16425","651756","Present",NA,NA
+"16426","2-Methyl-3-pentan-3-ylbenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-(pentan-3-yl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCC(CC)N1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","ZHDZHXHWWWRQQB-UHFFFAOYSA-N",374256,NA,"PDBC16426","651757","Present",NA,NA
+"16427","2-Methyl-3-phenyl-1,5,2-dithiazinane 1,1,5,5-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-phenyl-1,5,2-dithiazinane 1,1,5,5-tetraoxide",NA,"CN1C(CS(=O)(=O)CS1(=O)=O)C2=CC=CC=C2","MUXGWCFGCIBVPR-UHFFFAOYSA-N",363944,NA,"PDBC16427","629478","Present",NA,NA
+"16428","2-Methyl-3-phenyl-5-(3-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC(=CC=C3)Cl)C4=CC=CC=C4","PPRHJKUHOBTVLJ-UHFFFAOYSA-N",398632,NA,"PDBC16428","708782","Present",NA,NA
+"16429","2-Methyl-3-phenyl-5-(4-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","LJNNEPUVGQASMG-UHFFFAOYSA-N",398631,NA,"PDBC16429","708781","Present",NA,NA
+"16430","2-Methyl-3-phenyl-5-(4-methoxyphenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-7-methyl-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4","YVGNFUYXSLUBDU-UHFFFAOYSA-N",396111,NA,"PDBC16430","701659","Present",NA,NA
+"16431","2-Methyl-3-phenyl-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-3-phenyl-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]quinazolin-4-one",NA,"CC1=NC2=C(C=C(C=C2)NC3C(C(C(CO3)O)O)O)C(=O)N1C4=CC=CC=C4","PEZKKVKHQLCXFX-UHFFFAOYSA-N",386682,NA,"PDBC16431","679210","Present",NA,NA
+"16432","2-Methyl-3-phenyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679207///NSC679208",NA,"CC1=NC2=C(C=C(C=C2)NC3C(C(C(C(O3)CO)O)O)O)C(=O)N1C4=CC=CC=C4","VWSGOABMFSEXMJ-UHFFFAOYSA-N",386680,NA,"PDBC16432","679207///679208","Present",NA,NA
+"16433","2-Methyl-3-phenyl-6-cyano-7-(4-chlorophenyl)-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-1-methyl-5-oxo-7-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile",NA,"CN1C(CC(=O)C(=C(N1)C2=CC=C(C=C2)Cl)C#N)C3=CC=CC=C3","BDIHQYSGYOKIER-UHFFFAOYSA-N",363799,NA,"PDBC16433","629013","Present",NA,NA
+"16434","2-Methyl-3-pyrrolidin-1-ylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5751466",NA,"CC1=NC2=CC=CC=C2N=C1N3CCCC3","IDVIVWNKKBNROO-UHFFFAOYSA-N",238490,NA,"PDBC16434","42846","Present",NA,NA
+"16435","2-Methyl-3-quinuclidinyl cyclopentenyl(1-propynyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58326",NA,"CC#CC(C1=CCCC1)(C(=O)OC2C(N3CCC2CC3)C)O","UCTOEHTYBBRGKA-UHFFFAOYSA-N",380380,NA,"PDBC16435","665896","Present",NA,NA
+"16436","2-Methyl-3-quinuclidyl cyclopentyl(1-propynyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58002",NA,"CC#CC(C1CCCC1)(C(=O)OC2C(N3CCC2CC3)C)O","DKJTWISIFXBISM-UHFFFAOYSA-N",380287,NA,"PDBC16436","665767","Present",NA,NA
+"16437","2-Methyl-3-quinuclidyl phenyl(1-butynyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-89057",NA,"CCC#CC(C1=CC=CC=C1)(C(=O)OC2C(N3CCC2CC3)C)O","VOCRJOMVKAJZBC-UHFFFAOYSA-N",56501,NA,"PDBC16437","665770","Present",NA,NA
+"16438","2-Methyl-3H-imidazo[4,5-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-3-deazapurine",NA,"CC1=NC2=C(N1)C=NC=C2","JWQVOMJORQXNME-UHFFFAOYSA-N",373077,NA,"PDBC16438","648928","Present",NA,NA
+"16439","2-Methyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC2757",NA,"CC1=NC2=CC=CC=C2C(=O)N1","FIEYHAAMDAPVCH-UHFFFAOYSA-N",135400457,NA,"PDBC16439","2757","Present",NA,NA
+"16440","2-Methyl-4,1-benzoxazepin-5(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4,1-benzoxazepin-5(1H)-one",NA,"CC1=COC(=O)C2=CC=CC=C2N1","JPSAKHXQOLWQHF-UHFFFAOYSA-N",370884,NA,"PDBC16440","644619","Present",NA,NA
+"16441","2-Methyl-4,2-b:5,4-b']dithiophene-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4,8-dihydrobenzo[1,2-b:5,4-b']dithiophene-4,8-d...",NA,"CC1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3","IAAALXHIXSGPCF-UHFFFAOYSA-N",375901,NA,"PDBC16441","656238","Present",NA,NA
+"16442","2-Methyl-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4,4-diphenyl-1,4-benzoxaphosphinin-4-ium;bromide",NA,"CC1=C[P+](C2=CC=CC=C2O1)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","DFDZUIVWSKZAGG-UHFFFAOYSA-M",24199840,NA,"PDBC16442","346098","Present",NA,NA
+"16443","2-Methyl-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4,5-bis(phenylsulfonyl)-7-oxa-1-azabicyclo[2.2.1]heptane",NA,"CC1CC2(C(CN1O2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","FKVMUDUSITZBLP-UHFFFAOYSA-N",361144,NA,"PDBC16443","623976","Present",NA,NA
+"16444","2-Methyl-4,5-diphenylthiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK396444",NA,"CC1=NC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3","ZFYWCVZNRMSXBT-UHFFFAOYSA-N",77365,NA,"PDBC16444","59791","Present",NA,NA
+"16445","2-Methyl-4,6-dihydro-1,3,4-thiadiazolino[3,2-a]pyrimidine-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5h-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5,7(6h)-dione",NA,"CC1=NN2C(=O)CC(=O)N=C2S1","OIADDWVYJUDTDW-UHFFFAOYSA-N",397291,NA,"PDBC16445","704844","Present",NA,NA
+"16446","2-Methyl-4,6-diphenyl[1,3]oxazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-1,3-diphenyl-oxazolo(5,4-d)pyrimidin-2,4(1H,3H)...",NA,"CC1=NC2=C(O1)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4","JYBZGYJAIKOESI-UHFFFAOYSA-N",387456,NA,"PDBC16446","681262","Present",NA,NA
+"16447","2-Methyl-4,9-dioxo-4,9-dihydro-naphtho[2,3-b]furan-3-carboxylic acid o-tolylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-N-(2-methylphenyl)-4,9-dioxobenzo[f][1]benzofuran-3-carboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(OC3=C2C(=O)C4=CC=CC=C4C3=O)C","GXUFIMIBJLPYBK-UHFFFAOYSA-N",369640,NA,"PDBC16447","641595","Present",NA,NA
+"16448","2-Methyl-4-(1H-pyrazol-1-yl)-3-(2-(1H-pyrazol-1-yl)ethyl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-(1H-pyrazol-1-yl)-3-(2-(1H-pyrazol-1-yl)ethyl)quinoline",NA,"CC1=NC2=CC=CC=C2C(=C1CCN3C=CC=N3)N4C=CC=N4","NWVIOLGQKQXJCL-UHFFFAOYSA-N",379757,NA,"PDBC16448","664729","Present",NA,NA
+"16449","2-Methyl-4-(2-methylaziridin-1-yl)-6-phenyl-5-[(E)-3-phenylprop-2-enoyl]pyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-(2-methylaziridin-1-yl)-6-phenyl-5-[(E)-3-phenylprop-2-enoyl]pyridazin-3-one",NA,"CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)C=CC4=CC=CC=C4","UAUASWCMCCWKAF-BUHFOSPRSA-N",6157236,NA,"PDBC16449","634625","Present",NA,NA
+"16450","2-Methyl-4-(2H-thiopyran-6-yl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-(2H-thiopyran-6-yl)-2,3-dihydro-1,5-benzothiazepine",NA,"CC1CC(=NC2=CC=CC=C2S1)C3=CC=CCS3","PPVLIFKCWMAMBV-UHFFFAOYSA-N",367600,NA,"PDBC16450","637432","Present",NA,NA
+"16451","2-Methyl-4-(4-methyl-1-piperazinyl)-5H-indeno[1,2-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-(4-methyl-1-piperazinyl)-5H-indeno[1,2-d]pyrimidine",NA,"CC1=NC2=C(CC3=CC=CC=C32)C(=N1)N4CCN(CC4)C","NNDCHRMSKBOASE-UHFFFAOYSA-N",387036,NA,"PDBC16451","680356","Present",NA,NA
+"16452","2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,"CC1CC(=NC2=CC=CC=C2S1=O)C3=CC=C(C=C3)[N+](=O)[O-]","VVYQJGCLKUHIJA-UHFFFAOYSA-N",369433,NA,"PDBC16452","641203","Present",NA,NA
+"16453","2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,"CC1CC(=NC2=CC=CC=C2S1)C3=CC=C(C=C3)[N+](=O)[O-]","OEUXANLCGPEYQZ-UHFFFAOYSA-N",367361,NA,"PDBC16453","637000","Present",NA,NA
+"16454","2-Methyl-4-(4-pyridinyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-(4-pyridinyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione",NA,"CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=CC=NC=C5","SSPKLSZDKQGWSO-UHFFFAOYSA-N",367778,NA,"PDBC16454","637717","Present",NA,NA
+"16455","2-Methyl-4-(phenylimino)naphth(2,3-d)oxazol-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphth[2,3-d]oxazol-9-one, 2-methyl-4-(phenylimino)-",NA,"CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4=CC=CC=C4","UPEHKUQHXSSQQA-UHFFFAOYSA-N",160386,NA,"PDBC16455","650573","Present",NA,NA
+"16456","2-Methyl-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)NC(=S)S2","JPKDJFBEERCSRW-PTNGSMBKSA-N",5469594,NA,"PDBC16456","690615","Present",NA,NA
+"16457","2-Methyl-4-[(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)-(2-nitrophenyl)methyl]-5-phenyl-4H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-[(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)-(2-nitrophenyl)methyl]-5-phenyl-4H-pyrazol-3-one",NA,"CN1C(=O)C(C(=N1)C2=CC=CC=C2)C(C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=CC=C5[N+](=O)[O-]","RKZLNEOKGFCKLH-UHFFFAOYSA-N",389747,NA,"PDBC16457","686344","Present",NA,NA
+"16458","2-Methyl-4-[(E)-(2-methyl-1,3-dioxo-5H-pyrimido[1,6-a]benzimidazol-4-yl)azo]-5H-pyrimido[1,6-a]benzimidazole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-[(2-methyl-1,3-dioxo-5H-pyrimido[1,6-a]benzimidazol-4-yl)diazenyl]-5H-pyrimido[1,6-a]benzimidazole-1,3-dione",NA,"CN1C(=O)C(=C2NC3=CC=CC=C3N2C1=O)N=NC4=C5NC6=CC=CC=C6N5C(=O)N(C4=O)C","LJILTGLLBSWQRT-UHFFFAOYSA-N",373494,NA,"PDBC16458","649902","Present",NA,NA
+"16459","2-Methyl-4-[4-[(E)-3-oxobut-1-enyl]phenyl]-4,5-dihydro-3H-naphtho[3,2-g][1,5]benzodiazepine-8,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Anthra[1,2-b][1,4]diazepine-8,13-dione, 3,4-dihydro-2...",NA,"CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=CC=C(C=C5)C=CC(=O)C","MBWCXQXITVVBQQ-BQYQJAHWSA-N",5899031,NA,"PDBC16459","637718","Present",NA,NA
+"16460","2-Methyl-4-methoxy-5-piperidino-6H-furo[2,3-c]xanthen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-methoxy-5-piperidino-6H-furo[2,3-c]xanthen-6-one",NA,"CC1=CC2=C3C(=C(C(=C2O1)OC)N4CCCCC4)C(=O)C5=CC=CC=C5O3","ZVBXPTZCLHOWTR-UHFFFAOYSA-N",389281,NA,"PDBC16460","685034","Present",NA,NA
+"16461","2-Methyl-4-methylsulfanyl-1H-imidazo[4,5-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-methylsulfanyl-1H-imidazo[4,5-d]pyridazine",NA,"CC1=NC2=C(N=NC=C2N1)SC","DFXZMPHVVAMEEI-UHFFFAOYSA-N",5466431,NA,"PDBC16461","690591","Present",NA,NA
+"16462","2-Methyl-4-nitro-3a,4,9a,9b-tetrahydrobenzo[g][1]benzofuran-6,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-nitro-3a,4,9a,9b-tetrahydrobenzo[g]benzofuran-6,9-dione",NA,"CC1=CC2C(C=C3C(C2O1)C(=O)C=CC3=O)[N+](=O)[O-]","XGENLEJKGKDUAR-UHFFFAOYSA-N",397021,NA,"PDBC16462","704284","Present",NA,NA
+"16463","2-Methyl-4-nitronaphtho[1,2-b]furan-6,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-nitro-benzo[g]benzofuran-6,9-dione",NA,"CC1=CC2=C(C=C3C(=O)C=CC(=O)C3=C2O1)[N+](=O)[O-]","ORYBZICTAIDZBY-UHFFFAOYSA-N",397023,NA,"PDBC16463","704286","Present",NA,NA
+"16464","2-Methyl-4-nitroquinoline 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC144470///NSC19646",NA,"CC1=[N+](C2=CC=CC=C2C(=C1)[N+](=O)[O-])[O-]","YRPLTHBJMGSMKH-UHFFFAOYSA-N",78545,NA,"PDBC16464","144470///19646","Present",NA,NA
+"16465","2-Methyl-4-oxo-3,5-diphenyl-4,5-dihydro-3a,5,6,7-tetraaza-indene-1-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carboxylate",NA,"CCOC(=O)C1=C2N=NN(C(=O)N2C(=C1C)C3=CC=CC=C3)C4=CC=CC=C4","GTHFSDQKTBMTAB-UHFFFAOYSA-N",396110,NA,"PDBC16465","701658","Present",NA,NA
+"16466","2-Methyl-4-oxo-7-(trifluoromethyl)-4H-1,3-benzodioxin-2-yl 2-(acetyloxy)-4-(trifluoromethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-oxo-7-(trifluoromethyl)-4H-1,3-benzodioxin-2-yl 2-(acetyloxy)-4-(trifluoromethyl)benzoate",NA,"CC(=O)OC1=C(C=CC(=C1)C(F)(F)F)C(=O)OC2(OC3=C(C=CC(=C3)C(F)(F)F)C(=O)O2)C","QQNQTUHOHVQAJA-UHFFFAOYSA-N",383950,NA,"PDBC16466","672914","Present",NA,NA
+"16467","2-Methyl-4-oxo-N-(1,3-thiazol-2-yl)-3-((1,3-thiazol-2-ylsulfonyl)amino)-3,4-dihydro-6-quinazolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Methyl-4-oxo-6-(1,3-thiazol-2-ylsulfamoyl)quinazolin-3-yl]-1,3-thiazole-2-sulfonamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=NC=CS3)C(=O)N1NS(=O)(=O)C4=NC=CS4","OLKZUOHNDOLUFW-UHFFFAOYSA-N",390431,NA,"PDBC16467","687785","Present",NA,NA
+"16468","2-Methyl-4-oxo-N-(2-pyridinyl)-3-((2-pyridinylsulfonyl)amino)-3,4-dihydro-6-quinazolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-oxo-N-(2-pyridinyl)-3-((2-pyridinylsulfonyl)amino)-3,4-dihydro-6-quinazolinesulfonamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3)C(=O)N1NS(=O)(=O)C4=CC=CC=N4","KEOJFGQLWVISSI-UHFFFAOYSA-N",390430,NA,"PDBC16468","687784","Present",NA,NA
+"16469","2-Methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]quinazoline-6-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-oxo-N-(4-phenylphenyl)sulfonyl-3-[(4-phenylphenyl)sulfonylamino]quinazoline-6-sulfonamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4)C(=O)N1NS(=O)(=O)C5=CC=C(C=C5)C6=CC=CC=C6","CAONZYFPXZOWDB-UHFFFAOYSA-N",390432,NA,"PDBC16469","687786","Present",NA,NA
+"16470","2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NBRFYVLJPCZJNZ-UHFFFAOYSA-N",NA,"CC1CC(=NC2=CC=CC=C2S1)C3=CC=CC=C3","NBRFYVLJPCZJNZ-UHFFFAOYSA-N",369428,NA,"PDBC16470","641198","Present",NA,NA
+"16471","2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-phenyl-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide",NA,"CC1CC(=NC2=CC=CC=C2S1(=O)=O)C3=CC=CC=C3","KFIUEZBHTLEYEE-UHFFFAOYSA-N",367468,NA,"PDBC16471","637200","Present",NA,NA
+"16472","2-Methyl-4-propionyl-1(2H)-isoquinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-propionyl-1(2H)-isoquinolinone",NA,"CCC(=O)C1=CN(C(=O)C2=CC=CC=C21)C","NUFYMYFXCJUDTM-UHFFFAOYSA-N",370867,NA,"PDBC16472","644600","Present",NA,NA
+"16473","2-Methyl-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidin-4-one",NA,"CC1=CC(=O)N2C3=CC=CC=CC3=CC2=N1","LTYBGOZEYMHOCF-UHFFFAOYSA-N",363758,NA,"PDBC16473","628950","Present",NA,NA
+"16474","2-Methyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5,6-dihydro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one",NA,"CC1=NN2CCC(=O)N=C2S1","QGWDAYCOICYYTA-UHFFFAOYSA-N",397292,NA,"PDBC16474","704845","Present",NA,NA
+"16475","2-Methyl-5-(1-phenyltetrazol-5-yl)pyrimidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-(1-phenyltetrazol-5-yl)pyrimidine-4-carboxylic acid",NA,"CC1=NC=C(C(=N1)C(=O)O)C2=NN=NN2C3=CC=CC=C3","HFUAZNKSCLQYAF-UHFFFAOYSA-N",384187,NA,"PDBC16475","673519","Present",NA,NA
+"16476","2-Methyl-5-(3,4,5-trimethoxycinnamoyl)-6-(4-chlorophenyl)imidazo[2,1-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3,4]t...",NA,"CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC","LVYXJVLFDWMLQX-BJMVGYQFSA-N",101887310,NA,"PDBC16476","773187","Present",NA,NA
+"16477","2-Methyl-5-(3,4,5-trimethoxycinnamoyl)-6-(p-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(6-(4-fluorophenyl)-2-methylimidazo[2,1-b][1,3,4]t...",NA,"CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)F)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC","ZCCRLJKURCKJQY-BJMVGYQFSA-N",101887306,NA,"PDBC16477","773186","Present",NA,NA
+"16478","2-Methyl-5-(5,6-dichloro-1H-benzoimidazole-2-yl)-6-(4-fluorophenyl)-imidazo[2,1-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-6-(4-fluorophe...",NA,"CC1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)F)C4=NC5=CC(=C(C=C5N4)Cl)Cl","XFMJUOIUEXGIEI-UHFFFAOYSA-N",101887239,NA,"PDBC16478","767081","Present",NA,NA
+"16479","2-Methyl-5-(p-tolylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-(p-tolylmethyl)-4-pyrrol-1-yl-1,2,4-triazol-3-one",NA,"CC1=CC=C(C=C1)CC2=NN(C(=O)N2N3C=CC=C3)C","ZGUXKEGCXSDUGK-UHFFFAOYSA-N",388868,NA,"PDBC16479","684061","Present",NA,NA
+"16480","2-Methyl-5-[2-[2-(6-methyl-3-pyridyl)ethylphosphonoyl]ethyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-[2-[2-(6-methyl-3-pyridyl)ethylphosphonoyl]ethyl]pyridine",NA,"CC1=NC=C(C=C1)CC[P+](=O)CCC2=CN=C(C=C2)C","LCVGBCJGALBXGR-UHFFFAOYSA-N",6328840,NA,"PDBC16480","672912","Present",NA,NA
+"16481","2-Methyl-5-nitro-1-[2-(2-nitroimidazol-1-yl)ethyl]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2'-(2""""""""""""""""-nitroimidazolyl)-ethyl]-2-methyl-5-nitroimidazole",NA,"CC1=NC=C(N1CCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","ODENVYIMKKHLKX-UHFFFAOYSA-N",371292,NA,"PDBC16481","645367","Present",NA,NA
+"16482","2-Methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(C3)C4=CC=CC=C4","LMCUMVWDQKNIAM-UHFFFAOYSA-N",402358,NA,"PDBC16482","716270","Present",NA,NA
+"16483","2-Methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-nitro-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CC=C4","WUABNKVQCNQNHX-UHFFFAOYSA-N",402362,NA,"PDBC16483","716274","Present",NA,NA
+"16484","2-Methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]benzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(C3)C4=CC=CS4","LVGBDUHSSXVCTP-UHFFFAOYSA-N",402360,NA,"PDBC16484","716272","Present",NA,NA
+"16485","2-Methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-nitro-N-[4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenyl]benzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CS4","KHPZHCZOSJDZJM-UHFFFAOYSA-N",402364,NA,"PDBC16485","716276","Present",NA,NA
+"16486","2-Methyl-5-nitro-N-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-nitro-N-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","SNCSVRVFLIMCLR-WUXMJOGZSA-N",5472104,NA,"PDBC16486","716267","Present",NA,NA
+"16487","2-Methyl-5-nitro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-nitro-N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]benzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC=CC=C3","SSYUTLIESGYZOX-RIYZIHGNSA-N",5472102,NA,"PDBC16487","716265","Present",NA,NA
+"16488","2-Methyl-5-nitro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-nitro-N-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]benzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC=CS3","GTNWXKLPDQMOGT-ZHACJKMWSA-N",5472105,NA,"PDBC16488","716268","Present",NA,NA
+"16489","2-Methyl-5-nitro-benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL295504",NA,"CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]","RJZQKPFOBDQULU-UHFFFAOYSA-N",372024,NA,"PDBC16489","646840","Present",NA,NA
+"16490","2-Methyl-5-phenyl-1,3-thiazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-004405",NA,"CC1=NC(=C(S1)C2=CC=CC=C2)N","HGQCFPLZGCHBBY-UHFFFAOYSA-N",367369,NA,"PDBC16490","637008","Present",NA,NA
+"16491","2-Methyl-5-phenyl[1,3]oxazolo[4,5-c]quinolin-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-5-phenyl[1,3]oxazolo[4,5-c]quinolin-4(5H)-one",NA,"CC1=NC2=C(O1)C3=CC=CC=C3N(C2=O)C4=CC=CC=C4","LXXSYBITZWRFHG-UHFFFAOYSA-N",389387,NA,"PDBC16491","685453","Present",NA,NA
+"16492","2-Methyl-5H-pyrido[4, hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methyl-.gamma.-carbolinium acetate",NA,"CC(=O)[O-].C[N+]1=CC2=C(C=C1)NC3=CC=CC=C32","NBZCALPWMDWXRJ-UHFFFAOYSA-N",364892,NA,"PDBC16492","631706","Present",NA,NA
+"16493","2-Methyl-6,11-dioxonaphtho[2,3-b]indolizine-12-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methyl-6,11-dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]ind...",NA,"CC1=CC2=C(C3=C(N2C=C1)C(=O)C4=CC=CC=C4C3=O)C(=O)O","UDCJHNCTCYTKCK-UHFFFAOYSA-N",155807235,NA,"PDBC16493","795222","Present",NA,NA
+"16494","2-Methyl-6,7,8,9-tetrahydro-3H-pyrimido[5',4':3,4]pyrrolo[1,2-a]azepin-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-4,6,9-triazatricyclo[7.5.0.02,7]tetradeca-1,5,7-trien-3-one",NA,"CC1=NC2=CN3CCCCCC3=C2C(=O)N1","LFUKXVCPMPOOHY-UHFFFAOYSA-N",135400644,NA,"PDBC16494","697464","Present",NA,NA
+"16495","2-Methyl-6-(1-naphthoyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9J098E7WMC",NA,"CC1=C(C(=CC=C1)C(=O)C2=CC=CC3=CC=CC=C32)C(=O)O","BXZKSJZKQCAGIB-UHFFFAOYSA-N",246628,NA,"PDBC16495","59941","Present",NA,NA
+"16496","2-Methyl-6-(4-pyridinyl)imidazo[2,1-b][1,3]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-6-(4-pyridinyl)imidazo[2,1-b][1,3]thiazole",NA,"CC1=CN2C=C(N=C2S1)C3=CC=NC=C3","XXANBEWCOHFZQG-UHFFFAOYSA-N",369509,NA,"PDBC16496","641289","Present",NA,NA
+"16497","2-Methyl-6-(6-nitroindol-1-yl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-6-(6-nitroindol-1-yl)oxane-3,4,5-triol",NA,"CC1C(C(C(C(O1)N2C=CC3=C2C=C(C=C3)[N+](=O)[O-])O)O)O","RPHNMGIXLHJSEW-UHFFFAOYSA-N",373117,NA,"PDBC16497","649059","Present",NA,NA
+"16498","2-Methyl-6-[(5-nitrofuran-2-yl)methylideneamino]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-6-{[(e)-(5-nitrofuran-2-yl)methylidene]amino}-4h-chromen-4-one",NA,"CC1=CC(=O)C2=C(O1)C=CC(=C2)N=CC3=CC=C(O3)[N+](=O)[O-]","WOFJXFQDCNCYPX-UHFFFAOYSA-N",276122,NA,"PDBC16498","123370","Present",NA,NA
+"16499","2-Methyl-6-[(E)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-6-[(E)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,"CC1=C2CC(=CC3=CC=CC(=C3C(=O)O)C)C(=O)C2=CC=C1","WSPJNKXEQLJVNQ-NTEUORMPSA-N",6052116,NA,"PDBC16499","678386","Present",NA,NA
+"16500","2-Methyl-6-[5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-6-[5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]oxane-3,4,5-triol",NA,"CC1C(C(C(C(O1)N2C=C(C3=C2N=C(N=C3SC)SC)C)O)O)O","LPVXCJFKCYENAI-UHFFFAOYSA-N",356592,NA,"PDBC16500","613056","Present",NA,NA
+"16501","2-Methyl-6-nitro-1-oxido-benzotriazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-6-nitro-1-oxido-benzotriazol-1-ium",NA,"CN1N=C2C=CC(=CC2=[N+]1[O-])[N+](=O)[O-]","HAZVMFIPIDRRDN-UHFFFAOYSA-N",388097,NA,"PDBC16501","682560","Present",NA,NA
+"16502","2-Methyl-6-nitro-7-[(E)-styryl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-6-nitro-7-[(E)-styryl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,"CC1=NN2C(=O)C(=C(N=C2S1)C=CC3=CC=CC=C3)[N+](=O)[O-]","KUKRMQJSPWMSRF-BQYQJAHWSA-N",5925301,NA,"PDBC16502","677196","Present",NA,NA
+"16503","2-Methyl-6-nitro-benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0067674",NA,"CN1C(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])C=CC=C3C1=O","IBTIRLNRVKXCST-UHFFFAOYSA-N",371172,NA,"PDBC16503","645173","Present",NA,NA
+"16504","2-Methyl-6-phenyl-1,5,2-dioxazinane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-6-phenyl-3,4-dihydro-1,5,2-dioxazine",NA,"CN1CCOC(O1)C2=CC=CC=C2","SPYXDUGGONAFPO-UHFFFAOYSA-N",372209,NA,"PDBC16504","647165","Present",NA,NA
+"16505","2-Methyl-6H-[1,3]thiazolo[5,4-c]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-6H-[1,3]thiazolo[5,4-c]carbazole",NA,"CC1=NC2=C(S1)C=CC3=C2C4=CC=CC=C4N3","MCUSJWXIZSPNNH-UHFFFAOYSA-N",391110,NA,"PDBC16505","689728","Present",NA,NA
+"16506","2-Methyl-7-(4-nitrophenyl)-1,6,2-dioxazepane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-7-(4-nitrophenyl)-1,6,2-dioxazepane",NA,"CN1CCCOC(O1)C2=CC=C(C=C2)[N+](=O)[O-]","JLZJARRJINRZIC-UHFFFAOYSA-N",386978,NA,"PDBC16506","680221","Present",NA,NA
+"16507","2-Methyl-8,9-dihydrocyclopenta[5',6']pyrido[3',2':4,5]thieno[3,2-d][1,3]oxazin-4(7H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-5-oxa-8-thia-3,10-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,10,15-pentaen-6-one",NA,"CC1=NC2=C(C(=O)O1)SC3=C2C=C4CCCC4=N3","VFRDLSPNFPDTPX-UHFFFAOYSA-N",392976,NA,"PDBC16507","694218","Present",NA,NA
+"16508","2-Methyl-8-(1-naphthyl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-8-(1-naphthyl)quinoline",NA,"CC1=NC2=C(C=CC=C2C3=CC=CC4=CC=CC=C43)C=C1","DKPWNBCMBXMQCN-UHFFFAOYSA-N",386460,NA,"PDBC16508","678489","Present",NA,NA
+"16509","2-Methyl-9-[(2-methylbenzotriazol-5-yl)amino]triazolo[4,5-f]quinolin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-9-[(2-methylbenzotriazol-5-yl)amino]triazolo[4,5-f]quinolin-7-ol",NA,"CN1N=C2C=CC(=CC2=N1)NC3=CC(=O)NC4=C3C5=NN(N=C5C=C4)C","UMCGOPRRFISNJR-UHFFFAOYSA-N",135489882,NA,"PDBC16509","689724","Present",NA,NA
+"16510","2-Methyl-9-[(Z)-phenylimino]naphth[2,3-d]oxazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-9-[(Z)-phenylimino]naphth[2,3-d]oxazol-4-one",NA,"CC1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=CC=CC=C4C2=O","MWYYVCOAWMLWKK-UHFFFAOYSA-N",373683,NA,"PDBC16510","650574","Present",NA,NA
+"16511","2-Methyl-9-[4-(2-hydroxyethyl)piperazino]-2H-1,2,3-triazolo[4,5-f]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(2-Methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-yl)piperazin-1-yl]ethanol",NA,"CN1N=C2C=CC3=NC=CC(=C3C2=N1)N4CCN(CC4)CCO","SXEIORDNONATMH-UHFFFAOYSA-N",380469,NA,"PDBC16511","666065","Present",NA,NA
+"16512","2-Methyl-N-((2-toluidinocarbonyl)oxy)propanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, 2-methyl-N-[[[(2-methylphenyl) a...",NA,"CC1=CC=CC=C1NC(=O)ON=C(C(C)C)Cl","IMQRTBJMEAJDOI-PTNGSMBKSA-N",9556245,NA,"PDBC16512","682822","Present",NA,NA
+"16513","2-Methyl-N-((3-toluidinocarbonyl)oxy)propanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, 2-methyl-N-[[[(3-methylphenyl) a...",NA,"CC1=CC(=CC=C1)NC(=O)ON=C(C(C)C)Cl","JDHTWBLVIOBGGM-PTNGSMBKSA-N",9556244,NA,"PDBC16513","682821","Present",NA,NA
+"16514","2-Methyl-N-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-N-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)benzamide",NA,"CC1=CC=CC=C1C(=O)NC(C(F)(F)F)(C(F)(F)F)O","SMXVQRCIOXFCHT-UHFFFAOYSA-N",389150,NA,"PDBC16514","684834","Present",NA,NA
+"16515","2-Methyl-N-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)-5-nitro-1H-imidazole-1-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-N-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)-5-nitro-1H-imidazole-1-acetamide",NA,"CC1=NC=C(N1CCNC(=O)CN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-]","KMCIIMXLGQMJCT-UHFFFAOYSA-N",370830,NA,"PDBC16515","644496","Present",NA,NA
+"16516","2-Methyl-N-(2-(2-pyridinyl)ethyl)-1-propanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-N-(2-(2-pyridinyl)ethyl)-1-propanamine",NA,"CC(C)CNCCC1=CC=CC=N1","LIYDXVXRMIKYIU-UHFFFAOYSA-N",238322,NA,"PDBC16516","42651","Present",NA,NA
+"16517","2-Methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine;2,3,4,5,6-pentachlorophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-N-(2-methylprop-2-enyl)prop-2-en-1-amine; 2,3,4,5,6-pentachlorophenol",NA,"CC(=C)CNCC(=C)C.C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O","VIVCKDRUZKLWDE-UHFFFAOYSA-N",237371,NA,"PDBC16517","40787","Present",NA,NA
+"16518","2-Methyl-N-(2-methylpropyl)-1H-indole-1-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK931306",NA,"CC1=CC2=CC=CC=C2N1CC(=O)NCC(C)C","XZDHSTZDTPPODL-UHFFFAOYSA-N",381969,NA,"PDBC16518","669279","Present",NA,NA
+"16519","2-Methyl-N-[3-[methyl-[3-[(2-methylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-N-[3-[methyl-[3-[(2-methylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]benzo[g]indazole-3-carboxamide",NA,"CN1C(=C2C=CC3=CC=CC=C3C2=N1)C(=O)NCCCN(C)CCCNC(=O)C4=C5C=CC6=CC=CC=C6C5=NN4C","QNFKOUCJVRKGQN-UHFFFAOYSA-N",403555,NA,"PDBC16519","718579","Present",NA,NA
+"16520","2-Methyl-N-[4-(propan-2-ylamino)phenyl]-2-propenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenamide, 2-methyl-N-[4-[(1-methylethyl)amino1phenyl]-",NA,"CC(C)NC1=CC=C(C=C1)NC(=O)C(=C)C","SLHDOPUIZPVUFW-UHFFFAOYSA-N",319257,NA,"PDBC16520","261610","Present",NA,NA
+"16521","2-Methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C","RFTVRRQJUSNBAK-UHFFFAOYSA-N",402374,NA,"PDBC16521","716286","Present",NA,NA
+"16522","2-Methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-N-[4-[2-(2-methyl-5-nitrophenyl)sulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CS4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C","MRLXZUPQDPDFMP-UHFFFAOYSA-N",402377,NA,"PDBC16522","716289","Present",NA,NA
+"16523","2-Methyl-N-phenyl-N'-[1-[(2-phenylacetyl)amino]ethyl]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-N-phenyl-N'-[1-[(2-phenylacetyl)amino]ethyl]propanediamide",NA,"CC(C(=O)NC1=CC=CC=C1)C(=O)NC(C)NC(=O)CC2=CC=CC=C2","NWUCXYJTNFIILW-UHFFFAOYSA-N",387033,NA,"PDBC16523","680353","Present",NA,NA
+"16524","2-Methyl-N-propyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-N-propyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine",NA,"CCCN=C1CC(NC2=CC=CC=C2N1)C","OIRIXIDOOZAEME-UHFFFAOYSA-N",135426649,NA,"PDBC16524","705838","Present",NA,NA
+"16525","2-Methyl-N-propyl-1H-indole-1-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-82095",NA,"CCCNC(=O)CN1C(=CC2=CC=CC=C21)C","OIZPBWGTJSIIHJ-UHFFFAOYSA-N",381968,NA,"PDBC16525","669278","Present",NA,NA
+"16526","2-Methyl-furan-3-carbothioic acid [4-chloro-3-(3-methyl-but-2-enyloxy)-phenyl]-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-3-((3-Methyl-2-Butenyl)Oxy)Phenyl)-2-Methyl-3-Furancarbothioamide",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C","YZHIXLCGPOTQNB-UHFFFAOYSA-N",3000926,NA,"PDBC16526","675186","Present",NA,NA
+"16527","2-Methylamino-5-methoxyphenyl 2-nitrophenyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylamino-5-methoxyphenyl 2-nitrophenyl sulfone",NA,"CNC1=C(C=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","GZFALTFVEVCIOD-UHFFFAOYSA-N",381408,NA,"PDBC16527","667953","Present",NA,NA
+"16528","2-Methylaminoestra-2,4,17-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylaminoestra-2,5(10)-dien-1,4,17-trione",NA,"CC12CCC3C(C1CCC2=O)CCC4=C3C(=O)C(=CC4=O)NC","JWDXURMBISCZNE-MJXOLFLWSA-N",395705,NA,"PDBC16528","700500","Present",NA,NA
+"16529","2-Methylbenzo[c]phenanthrene;2,4,7-trinitrofluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylbenzo[c]phenanthrene;2,4,7-trinitrofluoren-9-one",NA,"CC1=CC2=C(C=C1)C=CC3=C2C4=CC=CC=C4C=C3.C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","BNNCLPZSQRXCMZ-UHFFFAOYSA-N",348728,NA,"PDBC16529","408191","Present",NA,NA
+"16530","2-Methylbenzo[g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylbenzo[g]quinoline-5,10-dione",NA,"CC1=NC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O","RPBFXOPZCXVTNR-UHFFFAOYSA-N",386103,NA,"PDBC16530","677735","Present",NA,NA
+"16531","2-Methylbicyclo[3.2.1]oct-3-ene-2,8-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylbicyclo[3.2.1]oct-3-ene-2,8-diol",NA,"CC1(C=CC2CCC1C2O)O","MBCSIIFDOIVMMX-UHFFFAOYSA-N",371764,NA,"PDBC16531","646207","Present",NA,NA
+"16532","2-Methylbutyl 4-((4-(((4-((2-methylbutoxy)carbonyl)phenyl)imino)methyl)benzylidene)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylbutyl 4-((4-(((4-((2-methylbutoxy)carbonyl)phenyl)imino)methyl)benzylidene)amino)benzoate",NA,"CCC(C)COC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)OCC(C)CC","AAKJINQWEFWQSR-UHFFFAOYSA-N",367991,NA,"PDBC16532","638211","Present",NA,NA
+"16533","2-Methylchalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylchalcone",NA,"CC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2","JTDWYVCDAANOSR-VAWYXSNFSA-N",5386842,NA,"PDBC16533","618413","Present",NA,NA
+"16534","2-Methylellipticinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC351710",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)C.[I-]","IEBAEDRKJIAQLM-UHFFFAOYSA-N",21123185,NA,"PDBC16534","351710","Present",NA,NA
+"16535","2-Methylellipticinium methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC352299",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)C.CS(=O)(=O)[O-]","ONCJTUSIELMHLW-UHFFFAOYSA-N",24199985,NA,"PDBC16535","352299","Present",NA,NA
+"16536","2-Methylene-5,5,8abeta-trimethyldecalin-1beta-methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,8As)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methanol",NA,"CC1(CCCC2(C1CCC(=C)C2CO)C)C","ZPTSRWNMMWXEHX-RMTCENKZSA-N",11218332,NA,"PDBC16536","731784","Present",NA,NA
+"16537","2-Methylenecyclododecyl phenyl sulfoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylenecyclododecyl phenyl sulfoxide",NA,"C=C1CCCCCCCCCCC1S(=O)C2=CC=CC=C2","LCRFMDDGVBFMGW-UHFFFAOYSA-N",380692,NA,"PDBC16537","666396","Present",NA,NA
+"16538","2-Methylenetetralin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VKRKOOOBSIIARV-UHFFFAOYSA-N",NA,"C=C1CCC2=CC=CC=C2C1=O","VKRKOOOBSIIARV-UHFFFAOYSA-N",377751,NA,"PDBC16538","659342","Present",NA,NA
+"16539","2-Methylglutaric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Methylglutaric acid",NA,"CC(CCC(=O)O)C(=O)O","AQYCMVICBNBXNA-UHFFFAOYSA-N",12046,NA,"PDBC16539","408456","Present",NA,NA
+"16540","2-Methylolivacinium acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methylolivacinium acetate",NA,"CC1=C2C=C[N+](=C(C2=CC3=C1NC4=CC=CC=C43)C)C.CC(=O)[O-]","VBCXQSFIAPPUNG-UHFFFAOYSA-N",5458752,NA,"PDBC16540","336003","Present",NA,NA
+"16541","2-Methylpropane-1,1,3-tricarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Pentanedioic acid, 2-carboxy-3-methyl-",NA,"CC(CC(=O)O)C(C(=O)O)C(=O)O","HZPIPRAJSKIBIB-UHFFFAOYSA-N",230738,NA,"PDBC16541","220204","Present",NA,NA
+"16542","2-Methylpropane-1,2,3-tricarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GPICKHDXBPTBLD-UHFFFAOYSA-",NA,"CC(CC(=O)O)(CC(=O)O)C(=O)O","GPICKHDXBPTBLD-UHFFFAOYSA-N",74119,NA,"PDBC16542","66538","Present",NA,NA
+"16543","2-Methylpropoxycarbonyl 4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isobutoxycarbonyl 4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoate",NA,"CC(C)COC(=O)OC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","FZLCHYQWUQENLV-UHFFFAOYSA-N",393098,NA,"PDBC16543","694483","Present",NA,NA
+"16544","2-Methylpropyl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylpropyl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate",NA,"CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3C(=O)OCC(C)C)CC5=CC=CC=C5)C(=C1OC)OC)OC","MUFJNSQFTGFUIU-PBOVWJFESA-N",6330790,NA,"PDBC16544","622076","Present",NA,NA
+"16545","2-Methylpropyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylpropyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate",NA,"CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2C(=O)OCC(C)C)CC4=CC=CC=C4)OC","DWZBSNGFQMFWSI-NTFVMDSBSA-N",5387231,NA,"PDBC16545","622073","Present",NA,NA
+"16546","2-Methylpropyl N-[4-[(5-pentyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylpropyl N-[4-[(5-pentyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]carbamate",NA,"CCCCCC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)OCC(C)C","KHEAPAMXGNTNGH-UHFFFAOYSA-N",404505,NA,"PDBC16546","720742","Present",NA,NA
+"16547","2-Methylpyridinium-trans-[tetrachlorobis (2-methylpyridi...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylpyridinium-trans-[tetrachlorobis (2-methylpyridi...",NA,NA,NA,NA,NA,"PDBC16547","631478","Present",NA,NA
+"16548","2-Methylpyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylpyrimido[1,6-a]benzimidazole-1,3(2H,5H)-dione",NA,"CN1C(=O)C=C2NC3=CC=CC=C3N2C1=O","IVLMMVGNQIABFI-UHFFFAOYSA-N",372022,NA,"PDBC16548","646838","Present",NA,NA
+"16549","2-Methylpyrimido[4',5':4,5][1,3]thiazolo[3,2-a]benzimidazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,9,11,13,15-hexaen-6-one",NA,"CC1=NC2=C(C(=O)N1)SC3=NC4=CC=CC=C4N23","MVNWPKYQCPZZNH-UHFFFAOYSA-N",135485175,NA,"PDBC16549","692380","Present",NA,NA
+"16550","2-Methylquinazoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XYVJAYUJAJRFLR-UHFFFAOYSA-N",NA,"CC1=NC2=CC=CC=C2C(=N1)C(=O)O","XYVJAYUJAJRFLR-UHFFFAOYSA-N",362511,NA,"PDBC16550","626532","Present",NA,NA
+"16551","2-Methylquinoline-3,4-dione 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylquinoline-3,4-dione 1-oxide",NA,"CC1=[N+](C2=CC=CC=C2C(=O)C1=O)[O-]","DEUMHPKEGIBZSI-UHFFFAOYSA-N",364687,NA,"PDBC16551","631321","Present",NA,NA
+"16552","2-Methylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoxaline, 2-methyl-, 1,4-dioxide",NA,"CC1=C[N+](=O)C2=CC=CC=C2N1[O-]","PZUHHXFIMAEXGO-UHFFFAOYSA-N",81144,NA,"PDBC16552","48949","Present",NA,NA
+"16553","2-Methylsulfanyl-11-oxo-pyrimido[5,4-b]quinolizine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-11-oxo-pyrimido[5,4-b]quinolizine-5-carbonitrile",NA,"CSC1=NC=C2C(=C3C=CC=CN3C(=O)C2=N1)C#N","ZTRKEPQTBUXAIL-UHFFFAOYSA-N",390692,NA,"PDBC16553","688324","Present",NA,NA
+"16554","2-Methylsulfanyl-4-phenyl-5,6-dihydrobenzo[h]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-4-phenyl-5,6-dihydrobenzo[h]quinazoline",NA,"CSC1=NC(=C2CCC3=CC=CC=C3C2=N1)C4=CC=CC=C4","BHEBJYALULDQSE-UHFFFAOYSA-N",371391,NA,"PDBC16554","645609","Present",NA,NA
+"16555","2-Methylsulfanyl-5-[2-[8-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-5-[2-[8-(trifluoromethyl)quinolin-4-yl]sulfanylethyl]-1,3,4-oxadiazole",NA,"CSC1=NN=C(O1)CCSC2=C3C=CC=C(C3=NC=C2)C(F)(F)F","GEOYZANAQZKIFQ-UHFFFAOYSA-N",45027948,NA,"PDBC16555","740244","Present",NA,NA
+"16556","2-Methylsulfanyl-5-morpholino-5h-chromeno[4,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-5-morpholino-5h-chromeno[4,3-d]pyrimidine",NA,"CSC1=NC=C2C(OC3=CC=CC=C3C2=N1)N4CCOCC4","DPRGVYVBRZNFKE-UHFFFAOYSA-N",390598,NA,"PDBC16556","688119","Present",NA,NA
+"16557","2-Methylsulfanyl-5-piperidin-1-yl-5H-chromeno[4,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-5-(1-piperidyl)-5h-chromeno[4,3-d]pyrimidine",NA,"CSC1=NC=C2C(OC3=CC=CC=C3C2=N1)N4CCCCC4","CBJBSWDHGYLNKE-UHFFFAOYSA-N",390599,NA,"PDBC16557","688120","Present",NA,NA
+"16558","2-Methylsulfanyl-5-pyrrolidin-1-yl-5H-chromeno[4,3-d]pyrimidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-5-pyrrolidin-1-yl-5H-chromeno[4,3-d]pyrimidine hydrochloride",NA,"CSC1=NC=C2C(OC3=CC=CC=C3C2=N1)N4CCCC4.Cl","DKTKMTOOOHRBJK-UHFFFAOYSA-N",390600,NA,"PDBC16558","688121","Present",NA,NA
+"16559","2-Methylsulfanyl-5H-chromeno[4,3-d]pyrimidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-5H-chromeno[4,3-d]pyrimidine hydrochloride",NA,"CSC1=NC=C2COC3=CC=CC=C3C2=N1.Cl","MBLVVYXCOPARJJ-UHFFFAOYSA-N",390594,NA,"PDBC16559","688117","Present",NA,NA
+"16560","2-Methylsulfanyl-6,7-dihydro-5H-[1,3,4]thiadiazolo[2,3-b][1,3]thiazin-4-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylsulfanyl)-6,7-dihydro-5H-[1,3,4]thiadiazolo[2,3-b][1,3]thiazin-4-ium iodide",NA,"CSC1=N[N+]2=C(S1)SCCC2.[I-]","SHTMPUKYQSVPJD-UHFFFAOYSA-M",365699,NA,"PDBC16560","633553","Present",NA,NA
+"16561","2-Methylsulfanyl-6,8-diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-6,8-diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,"CSC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=CC=C4","BVNFLIXAWRAJSD-UHFFFAOYSA-N",135436055,NA,"PDBC16561","686602","Present",NA,NA
+"16562","2-Methylsulfanyl-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,"CSC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]","FBTSKLPIOXAXMS-UHFFFAOYSA-N",135404945,NA,"PDBC16562","686611","Present",NA,NA
+"16563","2-Methylsulfanyl-7-phenyl-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-7-phenyl-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one",NA,"CSC1=NC=C2C3=C(C(=O)N(C=N3)C4=CC=CC=C4)SC2=N1","BEZOVPHXAQMIMF-UHFFFAOYSA-N",394393,NA,"PDBC16563","697793","Present",NA,NA
+"16564","2-Methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)-1H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-9-(3,4,5-trihydroxyoxan-2-yl)-1H-purin-6-one",NA,"CSC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(CO3)O)O)O","GBYNCABPYXTMHP-UHFFFAOYSA-N",135420604,NA,"PDBC16564","624651","Present",NA,NA
+"16565","2-Methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-purin-6-one",NA,"CSC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(C(O3)CO)O)O)O","YUYHWVWEDABSBD-UHFFFAOYSA-N",135503414,NA,"PDBC16565","624652","Present",NA,NA
+"16566","2-Methylsulfanylbutanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylthio)succinic acid",NA,"CSC(CC(=O)O)C(=O)O","RZBUKFQTUZLROF-UHFFFAOYSA-N",350687,NA,"PDBC16566","514779","Present",NA,NA
+"16567","2-Methylsulfanyltricyclo[4.3.0.03,7]nonane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylsulfanyltricyclo[4.3.0.03,7]nonane-2-carboxylic acid",NA,"CSC1(C2CCC3C2CCC31)C(=O)O","LUUFFDIGOVAXOK-UHFFFAOYSA-N",384345,NA,"PDBC16567","674036","Present",NA,NA
+"16568","2-Methylsulfinyl-5H-chromeno[4,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methylsulfinyl)-5h-chromeno[4,3-d]pyrimidine",NA,"CS(=O)C1=NC=C2COC3=CC=CC=C3C2=N1","UCTDJMKVUHBPJP-UHFFFAOYSA-N",402149,NA,"PDBC16568","716009","Present",NA,NA
+"16569","2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyltetrahydropyrrolo[1,2-c]pyrimidine-1,3(2H,4H)-dione",NA,"CN1C(=O)CC2CCCN2C1=O","UZHWLELZRGGRGV-UHFFFAOYSA-N",395093,NA,"PDBC16569","699385","Present",NA,NA
+"16570","2-Methylthiazolidine-2,4-dicarbonylic acid-di-sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylthiazolidine-2,4-dicarbonylic acid- di-sodium salt",NA,"CC1(NC(CS1)C(=O)O)C(=O)O.[Na+]","HNENRQXUWDXDOL-CGLOMXEHSA-N",54612624,NA,"PDBC16570","726111","Present",NA,NA
+"16571","2-Methylthio-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylthio-1,4-naphthoquinone",NA,"CSC1=CC(=O)C2=CC=CC=C2C1=O","GGFFBRRZAKLGFX-UHFFFAOYSA-N",96324,NA,"PDBC16571","67209","Present",NA,NA
+"16572","2-Methylthioethyl p-nitrophenyldiazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylthioethyl p-nitrophenyldiazoacetate",NA,"CSCCOC(=O)C(=[N+]=[N-])C1=CC=C(C=C1)[N+](=O)[O-]","HCIJTRLMNYCNDZ-UHFFFAOYSA-N",361719,NA,"PDBC16572","624963","Present",NA,NA
+"16573","2-Methyltryptoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alkaloid GPZ-2",NA,"CN1CCC2=C(C1)NC3=CC=CC=C23","JOFKCNJIUXPJAC-UHFFFAOYSA-N",121896,NA,"PDBC16573","683435","Present",NA,NA
+"16574","2-Morpholin-4-yl-4-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Morpholin-4-yl-4-thiophen-2-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC(=C(C(=C2)C3=CC=CS3)C#N)N4CCOCC4","YSXFMKXQJQSBPM-UHFFFAOYSA-N",54613336,NA,"PDBC16574","748707","Present",NA,NA
+"16575","2-Morpholin-4-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Morpholin-4-ylethyl 4-[(E)-2-(1-ethenyl-5-nitroimidazol-2-yl)ethenyl]benzoate",NA,"C=CN1C(=CN=C1C=CC2=CC=C(C=C2)C(=O)OCCN3CCOCC3)[N+](=O)[O-]","KYKQRDAMYBRWGN-VMPITWQZSA-N",6149701,NA,"PDBC16575","271256","Present",NA,NA
+"16576","2-Morpholino-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BB 0218584",NA,"C1COCCN1C(C2=CC=CC=C2)C(=O)N","GVSAMGMSPJMQHK-UHFFFAOYSA-N",97862,NA,"PDBC16576","50377","Present",NA,NA
+"16577","2-Morpholino-5-pyrrolizino-5H-[1]benzopyrano[4,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Morpholin-4-yl)-5-(pyrrolidin-1-yl)-5h-chromeno[4,3-d]pyrimidine",NA,"C1CCN(C1)C2C3=CN=C(N=C3C4=CC=CC=C4O2)N5CCOCC5","LMAOUUVQFQUAOU-UHFFFAOYSA-N",403284,NA,"PDBC16577","717979","Present",NA,NA
+"16578","2-N',2-N',6-N',6-N',11-Pentaethylspiro[chromeno[4,3-b]indole-6,9'-xanthene]-2',6'-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N',2-N',6-N',6-N',11-Pentaethylspiro[chromeno[4,3-b]indole-6,9'-xanthene]-2',6'-diamine",NA,"CCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4OC35C6=C(C=C(C=C6)N(CC)CC)OC7=C5C=C(C=C7)N(CC)CC","WEYKBOLXDAIZLE-UHFFFAOYSA-N",371885,NA,"PDBC16578","646468","Present",NA,NA
+"16579","2-N,2-N-Diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,2-N-Diethyl-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride",NA,"CCN(CC)C1=NC2=CC=CC=C2C(=N1)N(C)C.Cl","XGVDBVDYDLMALM-UHFFFAOYSA-N",400605,NA,"PDBC16579","712728","Present",NA,NA
+"16580","2-N,2-N-Diethyl-6-methoxy-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,2-N-Diethyl-6-methoxy-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride",NA,"CCN(CC)C1=NC2=C(C=C(C=C2)OC)C(=N1)N(C)C.Cl","GEJFRBVMLDDTAA-UHFFFAOYSA-N",24202617,NA,"PDBC16580","712726","Present",NA,NA
+"16581","2-N,2-N-Diethyl-7-methoxy-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,2-N-Diethyl-7-methoxy-4-N,4-N-dimethylquinazoline-2,4-diamine;hydrochloride",NA,"CCN(CC)C1=NC2=C(C=CC(=C2)OC)C(=N1)N(C)C.Cl","OWHNBYXNUSYISX-UHFFFAOYSA-N",400603,NA,"PDBC16581","712727","Present",NA,NA
+"16582","2-N,3-N-Bis(4-bromophenyl)quinoxaline-2,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766723",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)Br)NC4=CC=C(C=C4)Br","NVDLICVFRRZMPR-UHFFFAOYSA-N",1579827,NA,"PDBC16582","766723","Present",NA,NA
+"16583","2-N,3-N-Bis(4-methoxyphenyl)butane-2,3-diimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMEYMDPIGMZWSV-IWGRKNQJSA-N",NA,"CC(=NC1=CC=C(C=C1)OC)C(=NC2=CC=C(C=C2)OC)C","LMEYMDPIGMZWSV-UHFFFAOYSA-N",389336,NA,"PDBC16583","685285","Present",NA,NA
+"16584","2-N,4-N,4-N,6-N,6-N-Pentamethyl-2-N-[[methyl(prop-2-enyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,4-N,4-N,6-N,6-N-Pentamethyl-2-N-[[methyl(prop-2-enyl)amino]methyl]-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)C1=NC(=NC(=N1)N(C)CN(C)CC=C)N(C)C","VQCIHIADMKSKGV-UHFFFAOYSA-N",375169,NA,"PDBC16584","654385","Present",NA,NA
+"16585","2-N,4-N,6-N-Tris(1-adamantyl)-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~,N~4~,N~6~-Tri(1-adamantyl)-1,3,5-triazine-2,4,6-triamine",NA,"C1C2CC3CC1CC(C2)(C3)NC4=NC(=NC(=N4)NC56CC7CC(C5)CC(C7)C6)NC89CC1CC(C8)CC(C1)C9","MFVQBTPSCNUNAI-UHFFFAOYSA-N",394866,NA,"PDBC16585","698955","Present",NA,NA
+"16586","2-N,4-N,6-Trimethyl-2-N,4-N-diphenylpyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~,N~4~,6-Trimethyl-N~2~,N~4~-diphenyl-2,4-pyrimidinediamine",NA,"CC1=CC(=NC(=N1)N(C)C2=CC=CC=C2)N(C)C3=CC=CC=C3","IEFKOZLYAHNUIZ-UHFFFAOYSA-N",379592,NA,"PDBC16586","664283","Present",NA,NA
+"16587","2-N,4-N-Bis(2-methyl-3-prop-2-enylbenzimidazol-5-yl)quinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(1-Allyl-2-methyl-1H-benzimidazol-5-yl)-N2-(3-allyl-2...",NA,"CC1=NC2=C(N1CC=C)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)NC5=CC6=C(C=C5)N=C(N6CC=C)C","MGNSXLDUCHFULH-UHFFFAOYSA-N",73212770,NA,"PDBC16587","764064","Present",NA,NA
+"16588","2-N,4-N-Bis(3-bromophenyl)-6,7-dimethoxyquinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,4-N-Bis(3-bromophenyl)-6,7-dimethoxyquinazoline-2,4-diamine",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)Br)NC4=CC(=CC=C4)Br)OC","RAGCBYGVDCNHLI-UHFFFAOYSA-N",396723,NA,"PDBC16588","703332","Present",NA,NA
+"16589","2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-(3,4,5-trimethoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=NO2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","GYEDNOIGJOEIHP-UHFFFAOYSA-N",45028707,NA,"PDBC16589","743876","Present",NA,NA
+"16590","2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine",NA,"COC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","QDQKRFKGWHKZND-UHFFFAOYSA-N",45028705,NA,"PDBC16590","743874","Present",NA,NA
+"16591","2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-[4-(dimethylamino)phenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,4-N-Bis(4-chlorophenyl)-6-N-[4-[5-[4-(dimethylamino)phenyl]-1,2-oxazol-3-yl]phenyl]-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)C1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)Cl)NC6=CC=C(C=C6)Cl","FAONPZMTHQHAJU-UHFFFAOYSA-N",45028708,NA,"PDBC16591","743877","Present",NA,NA
+"16592","2-N,6-N-Dimethyl-4,4-dioxo-2-N,6-N-diphenyl-1,4,3,5-oxathiadiazine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,3,5-Oxathiadiazine-2,6-diamine, N,N'-dimethyl-N,N'-d...",NA,"CN(C1=CC=CC=C1)C2=NS(=O)(=O)N=C(O2)N(C)C3=CC=CC=C3","GRVATEUMRUOCGH-UHFFFAOYSA-N",300190,NA,"PDBC16592","174518","Present",NA,NA
+"16593","2-N,8-N-Dihexyl-6-morpholin-4-yl-7H-purine-2,8-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,8-N-Dihexyl-6-morpholin-4-yl-7H-purine-2,8-diamine",NA,"CCCCCCNC1=NC2=C(N1)C(=NC(=N2)NCCCCCC)N3CCOCC3","WQRISFXPLISUMJ-UHFFFAOYSA-N",344414,NA,"PDBC16593","401304","Present",NA,NA
+"16594","2-N-(1-Benzyl-2-methylbenzimidazol-5-yl)-4-N-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-benzyl-2-methyl-1H-benzimidazol-5yl)amino)-N'-(4-fl...",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)N6CCN(CC6)C","ZPJGCXRVXZJXCO-UHFFFAOYSA-N",127041311,NA,"PDBC16594","771658","Present",NA,NA
+"16595","2-N-(1-Benzyl-2-methylbenzimidazol-5-yl)-4-N-(4-fluorophenyl)-6-thiophen-2-yl-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-benzyl-2-methyl-1H-benzimidazol-5-yl)-N'-(4-fluorop...",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)C6=CC=CS6","JDJVYRWPSQZWIP-UHFFFAOYSA-N",127041911,NA,"PDBC16595","771657","Present",NA,NA
+"16596","2-N-(1-Benzyl-2-methylbenzimidazol-5-yl)-6-(4-chlorophenyl)-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Benzyl-2-methyl-1H-benzoimidazol-5-yl)-6-(4-chloro-...",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)Cl","BIPAKNCFINWKKL-UHFFFAOYSA-N",127041910,NA,"PDBC16596","774861","Present",NA,NA
+"16597","2-N-(2-Methyl-1-prop-2-enylbenzimidazol-5-yl)-4-N-(2-methyl-3-prop-2-enylbenzimidazol-5-yl)quinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(3-Allyl-2-methyl-3H-benzoimidazol-5-yl)- N2-(1-Allyl...",NA,"CC1=NC2=C(N1CC=C)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)NC5=CC6=C(C=C5)N(C(=N6)C)CC=C","BDOCUEXZFMDKTJ-UHFFFAOYSA-N",73212771,NA,"PDBC16597","764773","Present",NA,NA
+"16598","2-N-(3,4-Dichlorophenyl)-4-N-[2-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-(3,4-Dichlorophenyl)-4-N-[2-(dimethylamino)propyl]-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine;hydrochloride",NA,"CC(CNC1=NC(=NC(=N1)C(Cl)(Cl)Cl)NC2=CC(=C(C=C2)Cl)Cl)N(C)C.Cl","VSJCBCCPCSQEQD-UHFFFAOYSA-N",24198821,NA,"PDBC16598","305774","Present",NA,NA
+"16599","2-N-(3-Benzyl-2-methylbenzimidazol-5-yl)-4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Benzyl-2-methyl-3H-benzoimidazol-5-yl)-N'-(4-fluoro...",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)NCCN6CCOCC6","AJICNWHLWLMLAC-UHFFFAOYSA-N",127041909,NA,"PDBC16599","776062","Present",NA,NA
+"16600","2-N-(3-Benzyl-2-methylbenzimidazol-5-yl)-6-chloro-4-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Benzyl-2-methyl-3H-benzoimidazol-5-yl)-6-chloro-N'-...",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)Cl","WTWJRYOEMXIJSL-UHFFFAOYSA-N",127041310,NA,"PDBC16600","776052","Present",NA,NA
+"16601","2-N-(3-Chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-(3-Chlorophenyl)-6,7-dimethoxyquinazoline-2,4-diamine",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)Cl)N)OC","FKMYGWGXAZJTAQ-UHFFFAOYSA-N",45029225,NA,"PDBC16601","745624","Present",NA,NA
+"16602","2-N-(4-Aminocyclohexyl)-9-cyclopentyl-6-N-[(6-thiophen-2-ylpyridin-3-yl)methyl]purine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-(trans-4-aminocyclohexyl)-9-cyclopentyl-N6-[[6-(2-thi...",NA,"C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=CN=C(C=C5)C6=CC=CS6","AJNPHCMZNHMLAQ-UHFFFAOYSA-N",71817796,NA,"PDBC16602","787978","Present",NA,NA
+"16603","2-N-(4-Aminocyclohexyl)-9-cyclopentyl-6-N-[[6-(furan-2-yl)pyridin-3-yl]methyl]purine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-(trans-4-aminocyclohexyl)-9-cyclopentyl-N6-[[6-(2-fur...",NA,"C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=CN=C(C=C5)C6=CC=CO6","MDEXMDFOZRJJIN-UHFFFAOYSA-N",73353575,NA,"PDBC16603","787975","Present",NA,NA
+"16604","2-N-(4-Chlorophenyl)-4-N-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-(4-Chlorophenyl)-4-N-[4-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]phenyl]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine",NA,"C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)C5=NOC(=C5)C6=CC=C(C=C6)Cl","VONFMMUZDRYOQZ-UHFFFAOYSA-N",60147824,NA,"PDBC16604","752480","Present",NA,NA
+"16605","2-N-(4-Fluorophenyl)-4-N-(2-methyl-3-prop-2-enylbenzimidazol-5-yl)quinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(3-Allyl-2-methyl-3H-benzoimidazol-5-yl)- N2-(4-fluor...",NA,"CC1=NC2=C(N1CC=C)C=C(C=C2)NC3=NC(=NC4=CC=CC=C43)NC5=CC=C(C=C5)F","NVBPDZFQQPGTRB-UHFFFAOYSA-N",73212772,NA,"PDBC16605","764770","Present",NA,NA
+"16606","2-N-Cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-Cyclohexyl-1-N-(6-methoxyquinolin-8-yl)butane-1,2-di...",NA,"CCC(CNC1=C2C(=CC(=C1)OC)C=CC=N2)NC3CCCCC3","BQBNRUUEFJVRMO-UHFFFAOYSA-N",224810,NA,"PDBC16606","13616","Present",NA,NA
+"16607","2-N-Cyclohexyl-4-N,6-N-bis[(4-methoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-N',N''-bis-(4-methoxy-benzyl)-[1,3,5]triazi...",NA,"COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCCC3)NCC4=CC=C(C=C4)OC","DTCQGTUXIBQKPH-UHFFFAOYSA-N",405123,NA,"PDBC16607","722115","Present",NA,NA
+"16608","2-N-Methyl-6-oxaellipticinium acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-Methyl-6-oxaellipticinium acetate",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1OC4=CC=CC=C43)C)C.CC(=O)[O-]","OATQJNXWSKQCBZ-UHFFFAOYSA-M",10018975,NA,"PDBC16608","638788","Present",NA,NA
+"16609","2-N-Methyl-6-thiaellipticinum iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-n-methyl-6-thiaellipticinum iodide",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1SC4=CC=CC=C43)C)C.[I-]","AIVSHKZCEFZYFZ-UHFFFAOYSA-M",367888,NA,"PDBC16609","638066","Present",NA,NA
+"16610","2-N-[(3,5-Dimethoxyphenyl)methyl]quinoxaline-2,6,8-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3,5-(dimethoxy)benzylamino]-6,8-diamino quinoxaline",NA,"COC1=CC(=CC(=C1)CNC2=NC3=C(C=C(C=C3N=C2)N)N)OC","ICUNNVSYOYFVHC-UHFFFAOYSA-N",24204415,NA,"PDBC16610","731757","Present",NA,NA
+"16611","2-N-[(Dimethylamino)methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-[(Dimethylamino)methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)CN(C)C1=NC(=NC(=N1)N(C)C)N(C)C","PIEZUFDUCFGWNF-UHFFFAOYSA-N",375168,NA,"PDBC16611","654384","Present",NA,NA
+"16612","2-N-[2-(3,4-Dichlorophenyl)ethyl]quinoxaline-2,6,8-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-[2-(3,4-Dichloro-phenyl)-ethyl]-quinoxaline-2,6,8-tri...",NA,"C1=CC(=C(C=C1CCNC2=NC3=C(C=C(C=C3N=C2)N)N)Cl)Cl","CUSQJAWTDRGZCW-UHFFFAOYSA-N",45028211,NA,"PDBC16612","741762","Present",NA,NA
+"16613","2-N-[2-(3,5-Dimethoxyphenyl)ethyl]-3-phenylquinoxaline-2,5,7-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-[2-(3,5-Dimethoxy-phenyl)-ethyl]-3-phenyl-quinoxaline...",NA,"COC1=CC(=CC(=C1)CCNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","LBMYNUBKXLYKQW-UHFFFAOYSA-N",45028164,NA,"PDBC16613","741337","Present",NA,NA
+"16614","2-N-[2-[(7-Chloroquinolin-4-yl)amino]ethyl]-4-N-(3,5-dimethoxyphenyl)pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-(2-((7-chloroquinolin-4-yl)amino)ethyl)-N4-(3,5-dimet...",NA,"COC1=CC(=CC(=C1)NC2=NC(=NC=C2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl)OC","RTKNNLDXXGPNII-UHFFFAOYSA-N",117827349,NA,"PDBC16614","775294","Present",NA,NA
+"16615","2-N-[2-[(7-Chloroquinolin-4-yl)amino]ethyl]-4-N-(4-methoxyphenyl)pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-(2-((7-chloroquinolin-4-yl)amino)ethyl)-N4-(4-methoxy...",NA,"COC1=CC=C(C=C1)NC2=NC(=NC=C2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl","GFFZJPONWFJKBU-UHFFFAOYSA-N",117827358,NA,"PDBC16615","775292","Present",NA,NA
+"16616","2-N-[3-[(7-Chloroquinolin-4-yl)amino]propyl]-4-N-(3,5-dimethoxyphenyl)pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-(3-((7-chloroquinolin-4-yl)amino)propyl)-N4-(3,5-dime...",NA,"COC1=CC(=CC(=C1)NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl)OC","YQVRPSGDKSYYRP-UHFFFAOYSA-N",117826055,NA,"PDBC16616","775295","Present",NA,NA
+"16617","2-N-[3-[(7-Chloroquinolin-4-yl)amino]propyl]-6-methyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-(3-((7-chloroquinolin-4-yl)amino)propyl)-6-methyl-N4-...",NA,"CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl","ISBGKDAYEJEMMX-UHFFFAOYSA-N",117826062,NA,"PDBC16617","775290","Present",NA,NA
+"16618","2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalen-1-yl-1H-[1,8]naphthyridin-4-one",NA,"C1=CC=C2C(=C1)C=CC=C2C3=CC(=O)C4=C(N3)N=CC=C4","PPEYNRXCXSJVHV-UHFFFAOYSA-N",385176,NA,"PDBC16618","676180","Present",NA,NA
+"16619","2-Naphthalen-1-yl-2-phenylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalen-1-yl-2-phenylacetonitrile",NA,"C1=CC=C(C=C1)C(C#N)C2=CC=CC3=CC=CC=C32","DJHWWEPQEQVCLE-UHFFFAOYSA-N",229828,NA,"PDBC16619","23829","Present",NA,NA
+"16620","2-Naphthalen-2-yl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalen-2-yl-1H-[1,8]naphthyridin-4-one",NA,"C1=CC=C2C=C(C=CC2=C1)C3=CC(=O)C4=C(N3)N=CC=C4","SIAZQYUZGIPPRX-UHFFFAOYSA-N",386569,NA,"PDBC16620","679017","Present",NA,NA
+"16621","2-Naphthalen-2-yl-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-naphthyl)-1h-quinazolin-4-one",NA,"C1=CC=C2C=C(C=CC2=C1)C3=NC4=CC=CC=C4C(=O)N3","XTMWMJDTSKFKCW-UHFFFAOYSA-N",135408138,NA,"PDBC16621","690277","Present",NA,NA
+"16622","2-Naphthalen-2-ylsulfanyl-6-(trifluoromethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Naphthylsulfanyl)-6-(trifluoromethyl)quinoxaline",NA,"C1=CC=C2C=C(C=CC2=C1)SC3=CN=C4C=C(C=CC4=N3)C(F)(F)F","DEGAJHOEMFZMLQ-UHFFFAOYSA-N",399537,NA,"PDBC16622","710401","Present",NA,NA
+"16623","2-Naphthalenebutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-naphthalenebutyric acid (8ci)",NA,"C1=CC=C2C=C(C=CC2=C1)CCCC(=O)O","HBRVUQIGDLSBCB-UHFFFAOYSA-N",220395,NA,"PDBC16623","3036","Present",NA,NA
+"16624","2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diathol d",NA,"CC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O","FBLAHUMENIHUGG-UHFFFAOYSA-N",67273,NA,"PDBC16624","37188","Present",NA,NA
+"16625","2-Naphthalenecarboxamide, 3-hydroxy-N-(4-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naphthol as-d",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])O","ANHISTOUUYKCMS-UHFFFAOYSA-N",75160,NA,"PDBC16625","37608","Present",NA,NA
+"16626","2-Naphthalenecarboxamide, N-(3-chlorophenyl)-3-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"c.i. 37511",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)Cl)O","CUTAMZZNECWJOY-UHFFFAOYSA-N",79513,NA,"PDBC16626","12969","Present",NA,NA
+"16627","2-Naphthalenecarboxamide, N-(4-ethoxyphenyl)-3-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naphthol as-vl",NA,"CCOC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O","FYJKEJZGNQVNLC-UHFFFAOYSA-N",78443,NA,"PDBC16627","50690","Present",NA,NA
+"16628","2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-2-methyl-1-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenecarboxylic acid, 1,2,3,4-tetrahydro-5,8-dimethoxy-2-methyl-1-oxo-, methyl ester",NA,"CC1(CCC2=C(C=CC(=C2C1=O)OC)OC)C(=O)OC","PMASEAAWKYCQKR-UHFFFAOYSA-N",361603,NA,"PDBC16628","624788","Present",NA,NA
+"16629","2-Naphthalenecarboxylic acid, 4-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-naphthalenecarboxylic acid, 4-[[2-chloro-5-(trifluorom...",NA,"C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=CC(=C3)C(F)(F)F)Cl)O)C(=O)O","LFUPHTJXWMRCJO-UHFFFAOYSA-N",100655,NA,"PDBC16629","339616","Present",NA,NA
+"16630","2-Naphthalenecarboxylic acid,4'-methylenebis(3-hydroxy-, bis[tris(4-aminophenyl)methyl] ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenecarboxylic acid, 4,4'-methylenebis(3-hydrox...",NA,"C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)OC(C5=CC=C(C=C5)N)(C6=CC=C(C=C6)N)C7=CC=C(C=C7)N)O)O)C(=O)OC(C8=CC=C(C=C8)N)(C9=CC=C(C=C9)N)C1=CC=C(C=C1)N","GJFCCJVMOXKTOV-UHFFFAOYSA-N",16129848,NA,"PDBC16630","306107","Present",NA,NA
+"16631","2-Naphthalenecarboxylicacid, 4-[2-(3,4-dimethylphenyl)diazenyl]-3-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3,4-Dimethylphenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid",NA,"CC1=C(C=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)C","MJNILCMODKARFO-UHFFFAOYSA-N",281358,NA,"PDBC16631","134141","Present",NA,NA
+"16632","2-Naphthalenol, 1-(1-naphthalenylazo)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC45575///NSC47713",NA,"C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=CC4=CC=CC=C43)O","CYZWPZHRSZNWLS-UHFFFAOYSA-N",75859,NA,"PDBC16632","45575///47713","Present",NA,NA
+"16633","2-Naphthalenol, 1-[(3-nitrophenyl)azo]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meta nitro orange mn",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC(=CC=C3)[N+](=O)[O-])O","IKTQBBCZGHFCLF-UHFFFAOYSA-N",80957,NA,"PDBC16633","45183","Present",NA,NA
+"16634","2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphtho[2,3-d][1,3]dioxol-6-yl-4-quinolinecarboxylic acid",NA,"C1OC2=C(O1)C=C3C=C(C=CC3=C2)C4=NC5=CC=CC=C5C(=C4)C(=O)O","DYQGDBZUUIQJCG-UHFFFAOYSA-N",281451,NA,"PDBC16634","134244","Present",NA,NA
+"16635","2-Naphthoic acid, 6-chloro-3-(1-cyclohexen-1-yl)-4-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthoic acid, 6-chloro-3-(1-cyclohexen-1-yl)-4-hydroxy-",NA,"C1CCC(=CC1)C2=C(C=C3C=CC(=CC3=C2O)Cl)C(=O)O","ICUXOWOKYWQNSI-UHFFFAOYSA-N",372530,NA,"PDBC16635","647709","Present",NA,NA
+"16636","2-Naphthol, 1-(p-chlorophenylazo)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthol, 1-(p-chlorophenylazo)-",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)Cl)O","YDEBPHALQZHQLZ-UHFFFAOYSA-N",250860,NA,"PDBC16636","70809","Present",NA,NA
+"16637","2-Naphthol, 1-(p-fluorophenylazo)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthol, 1-(p-fluorophenylazo)-",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)F)O","IVVQQRFRRJBPRA-UHFFFAOYSA-N",239844,NA,"PDBC16637","45536","Present",NA,NA
+"16638","2-Naphthylidene benzoylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthylidene benzoylacetonitrile",NA,"C1=CC=C(C=C1)C(=O)C(=CC2=CC3=CC=CC=C3C=C2)C#N","TZCBIHHGIIGHTO-CPNJWEJPSA-N",5351392,NA,"PDBC16638","643186","Present",NA,NA
+"16639","2-Nitro-(2'-methyl-4'N,N-bis-2'-cyanoethylamino) azobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-(2'-methyl-4'N,N-bis-2'-cyanoethylamino) azobenzene",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=CC=C2[N+](=O)[O-]","DDIRYQQRNWLODI-UHFFFAOYSA-N",365295,NA,"PDBC16639","632846","Present",NA,NA
+"16640","2-Nitro-1,2-thiazolidine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isothiazolidine,2-nitro-,1,1-dioxide",NA,"C1CN(S(=O)(=O)C1)[N+](=O)[O-]","SJFSWZZKIHLRNW-UHFFFAOYSA-N",363423,NA,"PDBC16640","628334","Present",NA,NA
+"16641","2-Nitro-1-[(4-deoxy-4-bromoethoxy)methyl]imidozole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-1-[(4-deoxy-4-bromoethoxy)methyl]imidozole",NA,"C1=CN(C(=N1)[N+](=O)[O-])COCCBr","UORNLQXZZQBIGN-UHFFFAOYSA-N",368128,NA,"PDBC16641","638471","Present",NA,NA
+"16642","2-Nitro-1-[(4-deoxy-4-fluoroethoxy)methyl]imidozole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-1-[(4-deoxy-4-fluoroethoxy)methyl]imidozole",NA,"C1=CN(C(=N1)[N+](=O)[O-])COCCF","UNHGJBYNZSMFEH-UHFFFAOYSA-N",368129,NA,"PDBC16642","638472","Present",NA,NA
+"16643","2-Nitro-1-[(4-deoxy-4-iodoethoxy)methyl]imidozole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-1-[(4-deoxy-4-iodoethoxy)methyl]imidozole",NA,"C1=CN(C(=N1)[N+](=O)[O-])COCCI","ZMQBYSCWADCHDO-UHFFFAOYSA-N",368130,NA,"PDBC16643","638473","Present",NA,NA
+"16644","2-Nitro-1-phenylpropan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-1-phenylpropan-1-ol",NA,"CC(C(C1=CC=CC=C1)O)[N+](=O)[O-]","JGYVPZIKTZGAAD-UHFFFAOYSA-N",226118,NA,"PDBC16644","16258","Present",NA,NA
+"16645","2-Nitro-2-(1-phenylsulfanylethyl)propane-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-2-(1-phenylsulfanylethyl)propane-1,3-diol",NA,"CC(C(CO)(CO)[N+](=O)[O-])SC1=CC=CC=C1","XUZIWQRNOYKHCT-UHFFFAOYSA-N",362957,NA,"PDBC16645","627448","Present",NA,NA
+"16646","2-Nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-3-phenylspiro[cyclopropane-1,9'-fluorene]",NA,"C1=CC=C(C=C1)C2C(C23C4=CC=CC=C4C5=CC=CC=C35)[N+](=O)[O-]","LWKKJTAKWDOTEK-UHFFFAOYSA-N",282082,NA,"PDBC16646","135168","Present",NA,NA
+"16647","2-Nitro-4-(3,1'-piperidinyl-2-hydroxypropoxy)aniline. Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-4-(3,1'-piperidinyl-2-hydroxypropoxy)aniline. Hy...",NA,"C1CCN(CC1)CC(O)OCC2=CC(=C(C=C2)N)[N+](=O)[O-].Cl","FCBXUBSCBXADMS-UHFFFAOYSA-N",363733,NA,"PDBC16647","628914","Present",NA,NA
+"16648","2-Nitro-4-(3-1'-piperidinyl-2-hydroxypropoxy)acetanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-4-(3-1'-piperidinyl-2-hydroxypropoxy)acetanilide",NA,"CC(=O)NC1=C(C=C(C=C1)COC(CN2CCCCC2)O)[N+](=O)[O-]","SBSAPGGSRJWVNA-UHFFFAOYSA-N",363732,NA,"PDBC16648","628913","Present",NA,NA
+"16649","2-Nitro-4-methylphenyl 4-methylphenyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2NO2,4MePh-SO2-4MePh",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C)[N+](=O)[O-]","CQUNYLYDRYDFMB-UHFFFAOYSA-N",371686,NA,"PDBC16649","646124","Present",NA,NA
+"16650","2-Nitro-4-prop-2-enoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Allyloxy-2-nitro-aniline",NA,"C=CCOC1=CC(=C(C=C1)N)[N+](=O)[O-]","BXGQPPPKKZBCCH-UHFFFAOYSA-N",358073,NA,"PDBC16650","617852","Present",NA,NA
+"16651","2-Nitro-5-prop-2-enylpyrido[1,2-a]benzimidazol-5-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Allyl-2-nitro-pyrido[2,1-b]benzimidazol-10-ium bromide",NA,"C=CC[N+]1=C2C=CC(=CN2C3=CC=CC=C31)[N+](=O)[O-].[Br-]","NJNABJNHLAWGSZ-UHFFFAOYSA-M",392267,NA,"PDBC16651","692408","Present",NA,NA
+"16652","2-Nitro-6,11-dihydroindazolo[1,2-b]phthalazin-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-6H-indazolo[1,2-b]phthalazine-13(11H)-one",NA,"C1C2=CC=CC=C2CN3N1C4=C(C3=O)C=C(C=C4)[N+](=O)[O-]","FVPLXZNGDLDLLQ-UHFFFAOYSA-N",384989,NA,"PDBC16652","675816","Present",NA,NA
+"16653","2-Nitro-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-6,7,8,9-tetrahydropyridazino[1,2-a]indazol-11-one",NA,"C1CCN2C(=O)C3=C(N2C1)C=CC(=C3)[N+](=O)[O-]","UUSHTPIHVYIWFI-UHFFFAOYSA-N",385000,NA,"PDBC16653","675831","Present",NA,NA
+"16654","2-Nitro-6,7-dihydrochromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran",NA,"C1C2=C(C3=C(C=CC(=C3)[N+](=O)[O-])OC2)OC4=CC=CC=C41","LUFKXODGVTXSFK-UHFFFAOYSA-N",387607,NA,"PDBC16654","681616","Present",NA,NA
+"16655","2-Nitro-6,7-dihydroindolo[1,2-c][3]benzazepin-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-6,7-dihydroindolo[1,2-c][3]benzazepin-13-one",NA,"C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=CC4=CC=CC=C41","BQXYBAAHTMPEAF-UHFFFAOYSA-N",384992,NA,"PDBC16655","675819","Present",NA,NA
+"16656","2-Nitro-6-{(E)-[2-(quinolin-2-yl)hydrazinylidene]methyl}phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-nitro-6-((quinolin-2(1H)-ylidenehydrazono)methyl)phenol",NA,"C1=CC=C2C(=C1)C=CC(=N2)NN=CC3=C(C(=CC=C3)[N+](=O)[O-])O","RLGCDBYMJUKHRX-LICLKQGHSA-N",135443556,NA,"PDBC16656","168468","Present",NA,NA
+"16657","2-Nitro-7,12-dihydro-6H-indazolo[2,1-b][2,3]benzodiazepin-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-7,12-dihydro-6H-indazolo[2,1-b][2,3]benzodiazepin-14-one",NA,"C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC4=CC=CC=C41","QDEKYBKEUURNPN-UHFFFAOYSA-N",383721,NA,"PDBC16657","672150","Present",NA,NA
+"16658","2-Nitro-7,8,9,10-tetrahydro-6H-diazepino[1,2-a]indazol-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-7,8,9,10-tetrahydro-6H-diazepino[1,2-a]indazol-12-one",NA,"C1CCN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC1","FXWLITZBMJHUCM-UHFFFAOYSA-N",385001,NA,"PDBC16658","675832","Present",NA,NA
+"16659","2-Nitro-7-methoxynaphtho[2,1-b]furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"r 7000",NA,"COC1=CC2=C(C=C1)C3=C(C=C2)OC(=C3)[N+](=O)[O-]","BRRIJZQYTOFDAF-UHFFFAOYSA-N",53424,NA,"PDBC16659","329223","Present",NA,NA
+"16660","2-Nitro-8,13-diaza-8H-dibenz[a,de]anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Nitro-8,20-diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaene",NA,"C1=CC=C2C(=C1)C3=C4C(=N2)C=CC=C4C5=C(N3)C=C(C=C5)[N+](=O)[O-]","SAHWNOIFTROCTQ-UHFFFAOYSA-N",438794,NA,"PDBC16660","670694","Present",NA,NA
+"16661","2-Nitro-8-methoxynaphtho(2,1-b)furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,1-b]furan, 8-methoxy-2-nitro-",NA,"COC1=CC2=C(C=C1)C=CC3=C2C=C(O3)[N+](=O)[O-]","GUDGYQZVOAXJLS-UHFFFAOYSA-N",53425,NA,"PDBC16661","329225","Present",NA,NA
+"16662","2-Nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-6-yl)benzamide",NA,"C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=C(C=C4)NC(=O)C5=CC=CC=C5[N+](=O)[O-]","RFGISXPJCQEKJY-UHFFFAOYSA-N",3809354,NA,"PDBC16662","622918","Present",NA,NA
+"16663","2-Nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-8-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-N-(1-phenyl-9H-pyrido[3,4-b]indol-8-yl)benzamide",NA,"C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=CC=C4NC(=O)C5=CC=CC=C5[N+](=O)[O-]","AHKQFRJCCPDNGG-UHFFFAOYSA-N",4435439,NA,"PDBC16663","622919","Present",NA,NA
+"16664","2-Nitro-N-(3-(2-nitro-1H-imidazol-1-yl)propyl)-1H-imidazole-1-propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-nitroimidazol-1H-yl)propyl]-3-(2-nitroimidazol-1...",NA,"C1=CN(C(=N1)[N+](=O)[O-])CCCNC(=O)CCN2C=CN=C2[N+](=O)[O-]","QKWIUUWNGGRAKM-UHFFFAOYSA-N",375692,NA,"PDBC16664","655550","Present",NA,NA
+"16665","2-Nitro[1]benzothiopyrano[4,3-b]indol-11-ium perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11H-[1]Benzothiopyrano[4,3-b]indol-5-ium, 2-nitro-, perc...",NA,"C1=CC=C2C(=C1)C3=CSC4=C(C3=[NH+]2)C=C(C=C4)[N+](=O)[O-].[O-]Cl(=O)(=O)=O","NSTPFLLYESDOJI-UHFFFAOYSA-N",20832427,NA,"PDBC16665","150762","Present",NA,NA
+"16666","2-Nitroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitroacridine",NA,"C1=CC=C2C(=C1)C=C3C=C(C=CC3=N2)[N+](=O)[O-]","VAPQAGMSICPBKJ-UHFFFAOYSA-N",298500,NA,"PDBC16666","170669","Present",NA,NA
+"16667","2-Nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: zvr bnw",NA,"C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-]","KLGQWSOYKYFBTR-UHFFFAOYSA-N",11876,NA,"PDBC16667","407995","Present",NA,NA
+"16668","2-Nitrofuro[3,2-e][1]benzofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitrofuro[3,2-e][1]benzofuran",NA,"C1=CC2=C(C=C(O2)[N+](=O)[O-])C3=C1OC=C3","CIZQUNGDZXJWAU-UHFFFAOYSA-N",332389,NA,"PDBC16668","329125","Present",NA,NA
+"16669","2-Nitroindolo[2,1-b]quinazoline-6,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS020095",NA,"C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N23","UTXCTALMRHFUAD-UHFFFAOYSA-N",336271,NA,"PDBC16669","349856","Present",NA,NA
+"16670","2-Nitronaphtho(2,1-b)furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R6597",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(O3)[N+](=O)[O-]","HXRMBVOCHDEAQH-UHFFFAOYSA-N",50354,NA,"PDBC16670","329124","Present",NA,NA
+"16671","2-Nitrophenanthrene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Phenanthrenedione, 2-nitro- (9CI)",NA,"C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O","KNAXWOBOCVVMST-UHFFFAOYSA-N",94860,NA,"PDBC16671","5425","Present",NA,NA
+"16672","2-Nitrophenyl 4-methoxyphenyl sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2NO2Ph-S-4MeOPh",NA,"COC1=CC=C(C=C1)SC2=CC=CC=C2[N+](=O)[O-]","XTICKEODMBAWOV-UHFFFAOYSA-N",361291,NA,"PDBC16672","624233","Present",NA,NA
+"16673","2-Nitrophenyl 4-methoxyphenyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2NO2Ph-SO2-4MeOPh",NA,"COC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","DKABUUUQBRVEAB-UHFFFAOYSA-N",361292,NA,"PDBC16673","624234","Present",NA,NA
+"16674","2-Nitroso-1-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-nitrosonaphthol",NA,"C1=CC=C2C(=C1)C=CC(=C2O)N=O","SYUYTOYKQOAVDW-UHFFFAOYSA-N",8592,NA,"PDBC16674","5034","Present",NA,NA
+"16675","2-Norbornanone, 3-(2-chloro-1-chlorodifluoromethyl-2,2-difluoroethylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[2.2.1]heptan-2-one, 3-[2-chloro-1-(chlorodifluor...",NA,"C1CC2CC1C(=C(C(F)(F)Cl)C(F)(F)Cl)C2=O","OFBNFLKOUJGNRK-UHFFFAOYSA-N",98712,NA,"PDBC16675","162062","Present",NA,NA
+"16676","2-O,4-O-Isopropylidene-D-talose trimethylene dithioacetal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699024",NA,"CC1(OC(C(C(O1)C(CO)O)O)C2SCCCS2)C","IKGFMIIHNKJQTL-KATARQTJSA-N",394923,NA,"PDBC16676","699024","Present",NA,NA
+"16677","2-O-Benzyl 6-O-methyl (6R)-6-(1H-indol-2-yl)-8-methoxy-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-O-Benzyl 6-O-methyl (6R)-6-(1H-indol-2-yl)-8-methoxy-2-azabicyclo[2.2.2]oct-7-ene-2,6-dicarboxylate",NA,"COC1=CC2C(CC1CN2C(=O)OCC3=CC=CC=C3)(C4=CC5=CC=CC=C5N4)C(=O)OC","IHCURYDNWSQQIV-SVIIMATRSA-N",396983,NA,"PDBC16677","704220","Present",NA,NA
+"16678","2-O-Benzyl 6-O-methyl (6R)-6-(1H-indol-2-yl)-8-oxo-2-azabicyclo[2.2.2]octane-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-O-Benzyl 6-O-methyl (6R)-6-(1H-indol-2-yl)-8-oxo-2-azabicyclo[2.2.2]octane-2,6-dicarboxylate",NA,"COC(=O)C1(CC2CN(C1CC2=O)C(=O)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N4","QBCYYDRPRJQXOC-OSHJFMDRSA-N",396980,NA,"PDBC16678","704217","Present",NA,NA
+"16679","2-O-Benzyl 8-O-methyl 3-(4-methylphenyl)sulfonyl-4,5-dioxo-6H-pyrrolo[3,2-e]indole-2,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,3-b']dipyrrole-2,8-dicarboxylic acid, 4,5-...",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C(=O)C(=O)C4=C3C(=CN4)C(=O)OC)C(=O)OCC5=CC=CC=C5","JWANQWULRQLQBX-UHFFFAOYSA-N",386816,NA,"PDBC16679","679524","Present",NA,NA
+"16680","2-O-Benzyl-3-O,4-O-isopropylidene-L-threose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688890",NA,"CC1(OCC(O1)C(C=O)OCC2=CC=CC=C2)C","MFIFPWKJAXINAJ-STQMWFEESA-N",390832,NA,"PDBC16680","688890","Present",NA,NA
+"16681","2-Octene,6,7-trichloro-7-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Octene, 1-bromo-3-(bromomethyl)-2,6,7-trichloro-7-methyl-",NA,"CC(C)(C(CCC(=C(CBr)Cl)CBr)Cl)Cl","NWPBPKLFGPSJGT-BQYQJAHWSA-N",5468476,NA,"PDBC16681","670807","Present",NA,NA
+"16682","2-Octyl glyceryl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Octylglycerol",NA,"CCCCCCCCOC(CO)CO","CNCADJQPAKJTNP-UHFFFAOYSA-N",372441,NA,"PDBC16682","647555","Present",NA,NA
+"16683","2-Oxa-6,9-dithiaspiro[3.6]decane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxa-6,9-dithiaspiro[3.6]decane",NA,"C1CSCC2(COC2)CS1","MNQKLLZWHXJLLI-UHFFFAOYSA-N",373723,NA,"PDBC16683","650625","Present",NA,NA
+"16684","2-Oxazolidinone, 3-ethenyl-4,5-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648852///NSC648853",NA,"C=CN1C(C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3","YMWLLIXQZQMQKV-UHFFFAOYSA-N",373025,NA,"PDBC16684","648852///648853","Present",NA,NA
+"16685","2-Oxido-3,4-bis(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)-1,2,5-oxadiazol-2-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxido-3,4-bis(2-oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)-1,2,5-oxadiazol-2-ium",NA,"C1=CC=C(C=C1)C2=NO[N+](=O)C2=C3C(=NON3[O-])C4=[N+](ON=C4C5=CC=CC=C5)[O-]","VJRYFZKGWPPSFC-UHFFFAOYSA-N",383766,NA,"PDBC16685","672210","Present",NA,NA
+"16686","2-Oxido-3-(piperidin-1-ylmethyl)-4-aza-2-azoniatetracyclo[7.6.1.05,16.010,15]hexadeca-1,3,5,7,9(16),10,12,14-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indeno[1,2,3-de]quinazoline, 2-(1-piperidinylmethyl)-, 1...",NA,"C1CCN(CC1)CC2=NC3=CC=CC4=C3C(=[N+]2[O-])C5=CC=CC=C45","XLBPYZGSLNDDSB-UHFFFAOYSA-N",3246550,NA,"PDBC16686","194598","Present",NA,NA
+"16687","2-Oxo-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-1,2,3,4-tetrahydroimidazo[1,5-a]pyrimidine-8-carboxamide",NA,"C1CN2C=NC(=C2NC1=O)C(=O)N","NIFCQJMXJDJZPB-UHFFFAOYSA-N",361518,NA,"PDBC16687","624641","Present",NA,NA
+"16688","2-Oxo-2,3-dihydro-1,3-benzoxazole-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMOT0413",NA,"C1=CC2=C(C=C1C(=O)O)OC(=O)N2","BZRKWTCIDCRBMY-UHFFFAOYSA-N",391472,NA,"PDBC16688","690677","Present",NA,NA
+"16689","2-Oxo-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide",NA,"C1=CC2=C(C(C(=O)O2)C(=O)N)N=C1","VRJKLQPIXLRHJF-UHFFFAOYSA-N",362167,NA,"PDBC16689","625745","Present",NA,NA
+"16690","2-Oxo-2-(2-thienyl)ethylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-2-(2-thienyl)ethylphosphonic acid",NA,"C1=CSC(=C1)C(=O)CP(=O)(O)O","BBYVTDZBKUXZSK-UHFFFAOYSA-N",374572,NA,"PDBC16690","652546","Present",NA,NA
+"16691","2-Oxo-2-(4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-2-(4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)acetamide",NA,"C1CC2=C(C(=O)C1C(=O)C(=O)N)SC3=CC=CC=C3N2","FLTYAVOZCDPFHA-UHFFFAOYSA-N",371863,NA,"PDBC16691","646383","Present",NA,NA
+"16692","2-Oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)-N-(3-(trifluoromethyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)-N-(3-(trifluoromethyl)phenyl)acetamide",NA,"C1=CC(=CC(=C1)NC(=O)C(=O)C2C(=O)NC(=S)N2)C(F)(F)F","OGOXFBDSAVPZJB-UHFFFAOYSA-N",3004339,NA,"PDBC16692","646781","Present",NA,NA
+"16693","2-Oxo-2H-benzo[h]chromene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-2H-benzo[h]chromene-3-carboxylic acid",NA,"C1=CC=C2C(=C1)C=CC3=C2OC(=O)C(=C3)C(=O)O","HCZYKDRIXYWMQG-UHFFFAOYSA-N",271640,NA,"PDBC16693","115549","Present",NA,NA
+"16694","2-Oxo-2H-chromen-3-ylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-2H-chromen-3-ylphosphonic acid",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)P(=O)(O)O","JWJVZTRWTJHSOG-UHFFFAOYSA-N",265771,NA,"PDBC16694","102267","Present",NA,NA
+"16695","2-Oxo-3,4-dihydrochromene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-3-chromanecarboxylic acid",NA,"C1C(C(=O)OC2=CC=CC=C21)C(=O)O","MBUFGQWXDBCBSX-UHFFFAOYSA-N",381449,NA,"PDBC16695","668037","Present",NA,NA
+"16696","2-Oxo-3-(2-oxopropyl)-2,3-dihydro-1H-indol-3-yl 2,2-dimethyl-3-(2-methyl-1-propenyl)cyclopropanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Acetonyl-2-oxo-indolin-3-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate",NA,"CC(=CC1C(C1(C)C)C(=O)OC2(C3=CC=CC=C3NC2=O)CC(=O)C)C","AYRGLPVOHJUCOU-UHFFFAOYSA-N",380254,NA,"PDBC16696","665734","Present",NA,NA
+"16697","2-Oxo-4,6-diphenyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640221///NSC640222",NA,"C1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CC=C4","JPIGUWCWXYFGRU-UHFFFAOYSA-N",368877,NA,"PDBC16697","640221///640222","Present",NA,NA
+"16698","2-Oxo-4-(beta-oxophenethyl)azetidine-1-acetic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-4-(beta-oxophenethyl)azetidine-1-acetic acid tert-butyl ester",NA,"CC(C)(C)OC(=O)CN1C(CC1=O)CC(=O)C2=CC=CC=C2","OIADQEMDTKMPCS-UHFFFAOYSA-N",400570,NA,"PDBC16698","712693","Present",NA,NA
+"16699","2-Oxo-4-(methylthio)-6-(benzofuran-2-yl)-2H-pyran-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-Benzofuran-2-yl)-4-(methylsulfanyl)-2-oxo-2H-pyran-3-carbonitrile",NA,"CSC1=C(C(=O)OC(=C1)C2=CC3=CC=CC=C3O2)C#N","DYBANZPZJWBXCI-UHFFFAOYSA-N",360615,NA,"PDBC16699","622920","Present",NA,NA
+"16700","2-Oxo-4-(pyridin-1-ium-1-ylmethyl)chromene-3-carbonitrile;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(3-Cyano-2-oxo-2H-chromen-4-yl)methyl]pyridinium iodide",NA,"C1=CC=[N+](C=C1)CC2=C(C(=O)OC3=CC=CC=C32)C#N.[I-]","WJPSHKAUODCUDJ-UHFFFAOYSA-M",372762,NA,"PDBC16700","648378","Present",NA,NA
+"16701","2-Oxo-4-phenyl-1,3,4-tetrahydro-benz[4,5]imidazo[1,2-a]pyr imidine-3-carboxaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-4-phenyl-1,2,3,4-tetrahydro-benz[4,5]imidazo[1,2-a...",NA,"C1=CC=C(C=C1)C2C(C(=O)NC3=NC4=CC=CC=C4N23)C=O","GEBCMIXSWGTRGO-UHFFFAOYSA-N",405423,NA,"PDBC16701","722730","Present",NA,NA
+"16702","2-Oxo-4-phenyl-6-(P-tolyl)-1,2-dihydropyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-4-phenyl-6-(P-tolyl)-1,2-dihydropyridine-3-carbonitrile",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CC=C3","HKIFSTBWORQONB-UHFFFAOYSA-N",368862,NA,"PDBC16702","640201","Present",NA,NA
+"16703","2-Oxo-5-(3-oxobutyl)-4,5-diphenyl-2,5-dihydro-3-furancarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-5-(3-oxobutyl)-4,5-diphenyl-2,5-dihydro-3-furancarbonitrile",NA,"CC(=O)CCC1(C(=C(C(=O)O1)C#N)C2=CC=CC=C2)C3=CC=CC=C3","QFVIUGHNVMVRDH-UHFFFAOYSA-N",364128,NA,"PDBC16703","629798","Present",NA,NA
+"16704","2-Oxo-6-(phenoxycarbonylamino)chromene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-6-(phenoxycarbonylamino)chromene-3-carboxylic acid",NA,"C1=CC=C(C=C1)OC(=O)NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)O","YIYAZOGKALLWEZ-UHFFFAOYSA-N",252683,NA,"PDBC16704","74860","Present",NA,NA
+"16705","2-Oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-N-(2-phenylethenylidene)-4-phenyliminobut-3-enamide",NA,"C1=CC=C(C=C1)C=C=NC(=O)C(=O)C=C=NC2=CC=CC=C2","DDGJLZWYTNCSEI-UHFFFAOYSA-N",238775,NA,"PDBC16705","43308","Present",NA,NA
+"16706","2-Oxo-N-(3-(trifluoromethyl)phenyl)-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-N-(3-(trifluoromethyl)phenyl)-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,"C1=CC(=CC(=C1)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)C(F)(F)F","CCIYJTZCSKZVFG-UHFFFAOYSA-N",371855,NA,"PDBC16706","646375","Present",NA,NA
+"16707","2-Oxo-N-(6-((oxo(4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)acetyl)amino)-2-pyridinyl)-2-(4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-N-[6-[[2-oxo-2-(4-oxo-1,2,3,10-tetrahydrophenothiazin-3-yl)acetyl]amino]pyridin-2-yl]-2-(4-oxo-1,2,3,10-tetrahydrophenothiazin-3-yl)acetamide",NA,"C1CC2=C(C(=O)C1C(=O)C(=O)NC3=NC(=CC=C3)NC(=O)C(=O)C4CCC5=C(C4=O)SC6=CC=CC=C6N5)SC7=CC=CC=C7N2","BCWGWBIOGFCQLS-UHFFFAOYSA-N",373364,NA,"PDBC16707","649579","Present",NA,NA
+"16708","2-Oxo-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carbothioamide",NA,"C1CN(CCN1CC2CN(C(=O)O2)C(=S)NC3=CC=CC=C3)C4=CC=CC=C4","ALXVQWGAFUHBOD-UHFFFAOYSA-N",3005316,NA,"PDBC16708","690607","Present",NA,NA
+"16709","2-Oxo-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-N-phenyl-5-((4-phenyl-1-piperazinyl)methyl)-1,3-oxazolidine-3-carboxamide",NA,"C1CN(CCN1CC2CN(C(=O)O2)C(=O)NC3=CC=CC=C3)C4=CC=CC=C4","XFOSCSDXUYQABM-UHFFFAOYSA-N",394339,NA,"PDBC16709","697708","Present",NA,NA
+"16710","2-Oxobicyclo[2.2.1]heptane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-0101291",NA,"C1CC2(CC1CC2=O)C(=O)O","ZKMOOBXRINLMKZ-UHFFFAOYSA-N",382538,NA,"PDBC16710","670148","Present",NA,NA
+"16711","2-Oxoglutaric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alphaketoglutaric acid",NA,"C(CC(=O)O)C(=O)C(=O)O","KPGXRSRHYNQIFN-UHFFFAOYSA-N",51,NA,"PDBC16711","17391","Present",NA,NA
+"16712","2-Oxohexahydrocyclopropa[cd]pentalene-4b(1H)-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxo[?]carbaldehyde",NA,"C1CC2C3C2(C1CC3=O)C=O","GEIHNNGRDSIJKQ-UHFFFAOYSA-N",390957,NA,"PDBC16712","689210","Present",NA,NA
+"16713","2-Oxopropyl 3-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxopropyl 3-oxobutanoate",NA,"CC(=O)CC(=O)OCC(=O)C","GQOFREXOMQUSHS-UHFFFAOYSA-N",361160,NA,"PDBC16713","623991","Present",NA,NA
+"16714","2-Pentadecylimidazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7QL9QX6HJK",NA,"CCCCCCCCCCCCCCCC1=NCCN1","KSJKFYTZUCKVFT-UHFFFAOYSA-N",224765,NA,"PDBC16714","13535","Present",NA,NA
+"16715","2-Phenacylsulfanyl-1H-pyrimidin-6-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenacylsulfanyl-1H-pyrimidin-6-one;hydrobromide",NA,"C1=CC=C(C=C1)C(=O)CSC2=NC=CC(=O)N2.Br","LWNRLGBHGHNYFM-UHFFFAOYSA-N",24199742,NA,"PDBC16715","340244","Present",NA,NA
+"16716","2-Phenethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenethyl-1,3,4,5-tetrahydropyrido[4,3-b]indole",NA,"C1CN(CC2=C1NC3=CC=CC=C23)CCC4=CC=CC=C4","OVZMZCMVCPKOQR-UHFFFAOYSA-N",379998,NA,"PDBC16716","665300","Present",NA,NA
+"16717","2-Phenothiazin-10-yl-1-piperazin-1-ylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(10H-Phenothiazin-10-yl)-1-(piperazin-1-yl)ethanone",NA,"C1CN(CCN1)C(=O)CN2C3=CC=CC=C3SC4=CC=CC=C42","KERGMAWZXBYECN-UHFFFAOYSA-N",377185,NA,"PDBC16717","658412","Present",NA,NA
+"16718","2-Phenothiazin-10-ylethyl N-(3,4-dichlorophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenothiazin-10-ylethyl N-(3,4-dichlorophenyl)carbamate",NA,"C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCOC(=O)NC4=CC(=C(C=C4)Cl)Cl","SMYBGEJBUGCEQY-UHFFFAOYSA-N",263444,NA,"PDBC16718","97889","Present",NA,NA
+"16719","2-Phenoxy-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenoxy-1,2-dihydropyrimido[5,4-e][1,2,4]triazin-5-amine",NA,"C1=CC=C(C=C1)ON2C=NC3=C(N=CN=C3N2)N","KMXAMFUXCMLMHE-UHFFFAOYSA-N",361708,NA,"PDBC16719","624949","Present",NA,NA
+"16720","2-Phenoxy-3,4-dihydropyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenoxy-3,4-dihydropyrido[2,3-e][1,3,2]oxazaphosphinine 2-oxide",NA,"C1C2=C(C=CC=N2)OP(=O)(N1)OC3=CC=CC=C3","ZJKCHHXWFJZLEF-UHFFFAOYSA-N",395845,NA,"PDBC16720","700848","Present",NA,NA
+"16721","2-Phenoxy-N'-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stk066211",NA,"C1=CC=C(C=C1)NNC(=O)COC2=CC=CC=C2","JRJRZCFIDWTLGU-UHFFFAOYSA-N",572040,NA,"PDBC16721","768098","Present",NA,NA
+"16722","2-Phenoxy-N-phenylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenoxy-N-phenylbenzenesulfinamide",NA,"C1=CC=C(C=C1)NS(=O)C2=CC=CC=C2OC3=CC=CC=C3","KWYPRTANVQDIMD-UHFFFAOYSA-N",385398,NA,"PDBC16722","676572","Present",NA,NA
+"16723","2-Phenoxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenoxyacetamide",NA,"C1=CC=C(C=C1)OCC(=O)N","AOPRXJXHLWYPQR-UHFFFAOYSA-N",69314,NA,"PDBC16723","1865","Present",NA,NA
+"16724","2-Phenoxyphenylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenoxyphenylphosphonic acid",NA,"C1=CC=C(C=C1)OC2=CC=CC=C2P(=O)(O)O","QJBGUHKUISPHMW-UHFFFAOYSA-N",380790,NA,"PDBC16724","666508","Present",NA,NA
+"16725","2-Phenoxypropanohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-002582",NA,"CC(C(=O)NN)OC1=CC=CC=C1","GSFLSJRVNIXWKZ-UHFFFAOYSA-N",381468,NA,"PDBC16725","668055","Present",NA,NA
+"16726","2-Phenoxyquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenoxyquinoxaline",NA,"C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2","BSDZLWKEACOABU-UHFFFAOYSA-N",3734282,NA,"PDBC16726","752574","Present",NA,NA
+"16727","2-Phenyl 3-[(6-ethyl, 5-(4-chlorophenyl) pyrimidin-2-yl)] quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-phenyl 3-[(6-ethyl, 4-amino, 5-(4-chlorophenyl) pyrimi...",NA,"CCC1=C(C(=NC(=N1)N2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)N)C5=CC=C(C=C5)Cl","LDINHMNXBAKQAN-UHFFFAOYSA-N",24202902,NA,"PDBC16727","726195","Present",NA,NA
+"16728","2-Phenyl-1,2,4-triazaspiro[4.6]undecane-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"64C9BV8LPJ",NA,"C1CCCC2(CC1)NC(=S)N(N2)C3=CC=CC=C3","ZSEZANMTGPZRIF-UHFFFAOYSA-N",683248,NA,"PDBC16728","328130","Present",NA,NA
+"16729","2-Phenyl-1,3-benzoxazepin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-1,3-benzoxazepin-5-ol",NA,"C1=CC=C(C=C1)C2=NC=C(C3=CC=CC=C3O2)O","WBSJEQOIZLCHDQ-UHFFFAOYSA-N",371953,NA,"PDBC16729","646710","Present",NA,NA
+"16730","2-Phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-5,6-dihydro-4h-pyrrolo[2,3-d]pyridazin-4-one",NA,"C1=CC=C(C=C1)C2=CC3=C(N2)C=NNC3=O","IZHYXMJTXPVIMO-UHFFFAOYSA-N",135426722,NA,"PDBC16730","711309","Present",NA,NA
+"16731","2-Phenyl-1,8-naphthyridin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-phenyl-",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)N=CC=C3","IPVMHKHKTQYJIL-UHFFFAOYSA-N",377427,NA,"PDBC16731","658870","Present",NA,NA
+"16732","2-Phenyl-1-(1,3-thiazol-2-yl)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-.alpha.-Phenylmethyl-2-thiazolemethanamine",NA,"C1=CC=C(C=C1)CC(C2=NC=CS2)N","ADXGZQRJIYRSGK-UHFFFAOYSA-N",369619,NA,"PDBC16732","641531","Present",NA,NA
+"16733","2-Phenyl-1-(1H-tetrazol-5-yl)-ethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.545.223K",NA,"C1=CC=C(C=C1)CC(C2=NNN=N2)N","NXQBRADSLPEODL-UHFFFAOYSA-N",239705,NA,"PDBC16733","45074","Present",NA,NA
+"16734","2-Phenyl-1-(phenylsulfonyl)azetidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-phenyl-1-benzene-sulfonylazetidine",NA,"C1CN(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","CYNSTNZCAPLJOW-UHFFFAOYSA-N",362130,NA,"PDBC16734","625705","Present",NA,NA
+"16735","2-Phenyl-1-benzothiophen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-1-benzothiophen-3-ol",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3S2)O","RZJLZIHCBJUJJI-UHFFFAOYSA-N",387196,NA,"PDBC16735","680738","Present",NA,NA
+"16736","2-Phenyl-1-nitro-2-cyclopropene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nitro-2-phenylcycloprop-2-ene-1-carbonitrile",NA,"C1=CC=C(C=C1)C2=CC2(C#N)[N+](=O)[O-]","NGUQLNHDVPXPRP-UHFFFAOYSA-N",371608,NA,"PDBC16736","646000","Present",NA,NA
+"16737","2-Phenyl-10,11-dihydro-1H-5,11a-methanocyclopenta[c][1,2,4]triazolo[1,2-a][1,2]diazocine-1,3,9(5H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Phenyl-10,12,14-triazatetracyclo[7.5.1.01,5.010,14]pentadeca-5,7-diene-4,11,13-trione",NA,"C1CC23CC(C=CC=C2C1=O)N4N3C(=O)N(C4=O)C5=CC=CC=C5","REWBQGXKDPADRT-UHFFFAOYSA-N",361916,NA,"PDBC16737","625351","Present",NA,NA
+"16738","2-Phenyl-1H-imidazole-4,5-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-4,5-dicarboxylic acid, 2-phenyl- (9CI)",NA,"C1=CC=C(C=C1)C2=NC(=C(N2)C(=O)O)C(=O)O","GTYWKHXMYZVFSU-UHFFFAOYSA-N",221007,NA,"PDBC16738","4623","Present",NA,NA
+"16739","2-Phenyl-1H-perimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-phenylperimidine",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC4=C3C(=CC=C4)N2","KXLJLJJNISGKPN-UHFFFAOYSA-N",376354,NA,"PDBC16739","657187","Present",NA,NA
+"16740","2-Phenyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-2,3-dihydro-1,5-benzothiazepine-4(5H)-thione 1,1-dioxide",NA,"C1C(S(=O)(=O)C2=CC=CC=C2NC1=S)C3=CC=CC=C3","ICAIOEVSNITUHM-UHFFFAOYSA-N",3005000,NA,"PDBC16740","667459","Present",NA,NA
+"16741","2-Phenyl-2,3-dihydro-benzothiazole-2-carboxylic acid amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-2,3-dihydro-benzothiazole-2-carboxylic acid amide",NA,"C1=CC=C(C=C1)C2(NC3=CC=CC=C3S2)C(=O)N","MPXTUOXGMAPEPQ-UHFFFAOYSA-N",375077,NA,"PDBC16741","654015","Present",NA,NA
+"16742","2-Phenyl-2,3-dihydroquinazolin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"U 32027",NA,"C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2","BIVGFFFLVZMILM-UHFFFAOYSA-N",270800,NA,"PDBC16742","113764","Present",NA,NA
+"16743","2-Phenyl-2-(1-pyrrolidinyl)-6-heptenenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-2-(1-pyrrolidinyl)-6-heptenenitrile",NA,"C=CCCCC(C#N)(C1=CC=CC=C1)N2CCCC2","ARNNFJXCAAQKKR-UHFFFAOYSA-N",360979,NA,"PDBC16743","623710","Present",NA,NA
+"16744","2-Phenyl-2-[acetyl(phenethyl)amino]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-2-[acetyl(phenethyl)amino]acetonitrile",NA,"CC(=O)N(CCC1=CC=CC=C1)C(C#N)C2=CC=CC=C2","NQROPWLHHQONIN-UHFFFAOYSA-N",387706,NA,"PDBC16744","681735","Present",NA,NA
+"16745","2-Phenyl-2-[benzoyl(phenethyl)amino]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-(.alpha.-cyano-.alpha.-phenylmethyl)- N-(2-...",NA,"C1=CC=C(C=C1)CCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","RBWIHMFKEXHVGZ-UHFFFAOYSA-N",387705,NA,"PDBC16745","681734","Present",NA,NA
+"16746","2-Phenyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-2H-1,2,4-benzothiadiazine-3(4H)-thione 1,1-dioxide",NA,"C1=CC=C(C=C1)N2C(=S)NC3=CC=CC=C3S2(=O)=O","YCBBXWZYJWGATP-UHFFFAOYSA-N",5471378,NA,"PDBC16746","710975","Present",NA,NA
+"16747","2-Phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_003408",NA,"C1C(SC2=CC=CC=C2NC1=S)C3=CC=CC=C3","FQEWVXXAJZVQAC-UHFFFAOYSA-N",2728652,NA,"PDBC16747","667463","Present",NA,NA
+"16748","2-Phenyl-3-((2-pyridinylmethyl)sulfinyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-3-((2-pyridinylmethyl)sulfinyl)quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2S(=O)CC4=CC=CC=N4","GZHHJTLCHPDKSZ-UHFFFAOYSA-N",374672,NA,"PDBC16748","652772","Present",NA,NA
+"16749","2-Phenyl-3-((3-pyridinylmethyl)thio)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-3-((3-pyridinylmethyl)thio)quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2SCC4=CN=CC=C4","NREFZJKCZUVKDD-UHFFFAOYSA-N",374671,NA,"PDBC16749","652771","Present",NA,NA
+"16750","2-Phenyl-3-(2,5-dimethoxyphenyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Phenyl-2,5-dimethoxy-.alpha.-cinnamonitrile",NA,"COC1=CC(=C(C=C1)OC)C=C(C#N)C2=CC=CC=C2","WLAGJFNKKJZPFZ-GDNBJRDFSA-N",12795165,NA,"PDBC16750","643023","Present",NA,NA
+"16751","2-Phenyl-3-(2-(1-pyrrolidinyl)phenyl)-1H-indol-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-3-(2-(1-pyrrolidinyl)phenyl)-1H-indol-1-ol",NA,"C1CCN(C1)C2=CC=CC=C2C3=C(N(C4=CC=CC=C43)O)C5=CC=CC=C5","VUSNJUXRMBOHFF-UHFFFAOYSA-N",374516,NA,"PDBC16751","652267","Present",NA,NA
+"16752","2-Phenyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC4C(C(C(C(O4)CO)O)O)O","MQUQALZOEFOSCP-UHFFFAOYSA-N",363482,NA,"PDBC16752","628406","Present",NA,NA
+"16753","2-Phenyl-3-methyl-5-(3-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC(=CC=C3)Cl)C#N)C4=CC=CC=C4","PJFYWHDAEKVMST-UHFFFAOYSA-N",398636,NA,"PDBC16753","708786","Present",NA,NA
+"16754","2-Phenyl-3-methyl-5-(4-chlorophenyl)-4-oxo-4,5-dihydro-3a,5,6,7-tetraaza-3aH-indene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)Cl)C#N)C4=CC=CC=C4","VPJSYPPDCZFZRB-UHFFFAOYSA-N",398635,NA,"PDBC16754","708785","Present",NA,NA
+"16755","2-Phenyl-3-propyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-3-propylquinolin-4(1H)-one",NA,"CCCC1=C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3","IISAQNOBEIONLH-UHFFFAOYSA-N",382088,NA,"PDBC16755","669447","Present",NA,NA
+"16756","2-Phenyl-3a,3b,4,5,6,6a,11,11b-octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-3a,3b,4,5,6,6a,11,11b-octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione",NA,"C1CC2C(C1)C3=C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)NC6=CC=CC=C63","MJDPELULEMYNCS-UHFFFAOYSA-N",362436,NA,"PDBC16756","626385","Present",NA,NA
+"16757","2-Phenyl-3a,3b,4,5,6,7,8,8a,13,13b-decahydro-1H-cyclohepta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-3a,3b,4,5,6,7,8,8a,13,13b-decahydro-1H-cyclohepta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione",NA,"C1CCC2C(CC1)C3=C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)NC6=CC=CC=C63","FSLJXXUBILDXSE-UHFFFAOYSA-N",362439,NA,"PDBC16757","626388","Present",NA,NA
+"16758","2-Phenyl-3a,3b,4,6,7,7a,12,12b-octahydro-1H-pyrrolo[3,4-a]thiopyrano[3,4-c]carbazole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-3a,3b,4,6,7,7a,12,12b-octahydro-1H-pyrrolo[3,4-a]thiopyrano[3,4-c]carbazole-1,3(2H)-dione",NA,"C1CSCC2C1C3=C(C4C2C(=O)N(C4=O)C5=CC=CC=C5)NC6=CC=CC=C63","LXYBVCDNTFPEED-UHFFFAOYSA-N",362914,NA,"PDBC16758","627389","Present",NA,NA
+"16759","2-Phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","YQDIZAHKTNEAGG-UHFFFAOYSA-N",362448,NA,"PDBC16759","626395","Present",NA,NA
+"16760","2-Phenyl-3b,4,5,6,7,8,9,9a,14,14b-decahydrocycloocta[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-3b,4,5,6,7,8,9,9a,14,14b-decahydrocycloocta[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"C1CCCC2C(CC1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","VGKTVTOFTZGLSR-UHFFFAOYSA-N",362437,NA,"PDBC16760","626386","Present",NA,NA
+"16761","2-Phenyl-4,6-bis(4-pyridyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-phenyl-4,2':4',4''-terpyridine",NA,"C1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC=NC=C3)C4=CC=NC=C4","FCCCQHYRVKLZHY-UHFFFAOYSA-N",388627,NA,"PDBC16761","683638","Present",NA,NA
+"16762","2-Phenyl-4-(2-thienyl)-1-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-4-thiophen-2-yl-1-thiophen-3-ylbutane-1,4-dione",NA,"C1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)C(=O)C3=CSC=C3","KCZYRYZZEYSWFJ-UHFFFAOYSA-N",395520,NA,"PDBC16762","700210","Present",NA,NA
+"16763","2-Phenyl-4-(2-thienyl)-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-4-(2-thienyl)-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,"C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=CS4)C5=CC=CC=C5","MDGMACJYKCJWGC-UHFFFAOYSA-N",388199,NA,"PDBC16763","682767","Present",NA,NA
+"16764","2-Phenyl-4-(4-chlorophenyl)-5-cyano-6-amino-4H-pyran-3-ylphosphonic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(4-chlorophenyl)-5-diethoxyphosphoryl-6-phenyl-4H-pyran-3-carbonitrile",NA,"CCOP(=O)(C1=C(OC(=C(C1C2=CC=C(C=C2)Cl)C#N)N)C3=CC=CC=C3)OCC","AHXKVYQNQSJMHL-UHFFFAOYSA-N",401667,NA,"PDBC16764","715397","Present",NA,NA
+"16765","2-Phenyl-4-[(Z)-triazol-4-ylidenemethyl]-1,3-oxazol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-4-[(Z)-triazol-4-ylidenemethyl]-1,3-oxazol-5-ol",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)O)C=C3C=NN=N3","KBZUFIVEYRTTTA-TWGQIWQCSA-N",135478808,NA,"PDBC16765","120804","Present",NA,NA
+"16766","2-Phenyl-4-aminobenzo[g]pteridine 5,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-PHENYLBENZO[G]PTERIDIN-4-AMINE, 5,10-DIOXIDE",NA,"C1=CC=C(C=C1)C2=NC3=[N+](C4=CC=CC=C4[N+](=C3C(=N2)N)[O-])[O-]","YWSUTRFYAQHJFZ-UHFFFAOYSA-N",135468219,NA,"PDBC16766","252041","Present",NA,NA
+"16767","2-Phenyl-4-pyridin-2-ylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-4-pyridin-2-ylbutanoic acid",NA,"C1=CC=C(C=C1)C(CCC2=CC=CC=N2)C(=O)O","SSRVHSJNWMCPCE-UHFFFAOYSA-N",238363,NA,"PDBC16767","42695","Present",NA,NA
+"16768","2-Phenyl-4-sulfanylidene-3-azaspiro[5.5]undec-1-ene-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-4-sulfanylidene-3-azaspiro[5.5]undec-1-ene-5-carbonitrile",NA,"C1CCC2(CC1)C=C(NC(=S)C2C#N)C3=CC=CC=C3","PUHORIDJEUKDEE-UHFFFAOYSA-N",5471037,NA,"PDBC16768","707695","Present",NA,NA
+"16769","2-Phenyl-4H-1,4-benzothiazine-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-4H-1,4-benzothiazine-3-thione",NA,"C1=CC=C(C=C1)C2C(=S)NC3=CC=CC=C3S2","OIBQUGLWNLRKKW-UHFFFAOYSA-N",3004999,NA,"PDBC16769","667456","Present",NA,NA
+"16770","2-Phenyl-4H-[1,4]thiazino[3,2-c]quinoline-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Thiazino[3,2-c]quinoline-3-thione, 2-phenyl-",NA,"C1=CC=C(C=C1)C2C(=S)NC3=C(S2)C4=CC=CC=C4N=C3","MKPMXLAYKDWWLV-UHFFFAOYSA-N",3005006,NA,"PDBC16770","667467","Present",NA,NA
+"16771","2-Phenyl-5,8-dimethoxyquinoline-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dimethoxy-2-phenylquinolin-4(1H)-one",NA,"COC1=C2C(=O)C=C(NC2=C(C=C1)OC)C3=CC=CC=C3","QELZRIQFMJFNTO-UHFFFAOYSA-N",380405,NA,"PDBC16771","665927","Present",NA,NA
+"16772","2-Phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-5-(1-phenyltetrazol-5-yl)pyrimidine-4-carboxylic acid",NA,"C1=CC=C(C=C1)C2=NC=C(C(=N2)C(=O)O)C3=NN=NN3C4=CC=CC=C4","YJYKJLTXMYTJDQ-UHFFFAOYSA-N",384188,NA,"PDBC16772","673520","Present",NA,NA
+"16773","2-Phenyl-5-(1H-pyrrol-2-yl)-4H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-5-(1H-pyrrol-2-yl)-4H-pyrazol-3-one",NA,"C1C(=NN(C1=O)C2=CC=CC=C2)C3=CC=CN3","GYDLKQZKKBEXIK-UHFFFAOYSA-N",392531,NA,"PDBC16773","693047","Present",NA,NA
+"16774","2-Phenyl-5-(tetrahydro-2H-pyran-2-yloxy)-1,3-dioxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-5-(tetrahydro-2H-pyran-2-yloxy)-1,3-dioxane",NA,"C1CCOC(C1)OC2COC(OC2)C3=CC=CC=C3","LKAOBASWHBEPCP-UHFFFAOYSA-N",390883,NA,"PDBC16774","688994","Present",NA,NA
+"16775","2-Phenyl-5-[8-(5-phenyl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-5-[8-(5-phenyl-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazole",NA,"C1=CC=C(C=C1)C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)C4=CC=CC=C4","RONYCJKHCIGODV-UHFFFAOYSA-N",394069,NA,"PDBC16775","697187","Present",NA,NA
+"16776","2-Phenyl-5H-1,5-benzothiazepine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-435/41051496",NA,"C1=CC=C(C=C1)C2=CC(=S)NC3=CC=CC=C3S2","TXZDWZXRCBKQAM-UHFFFAOYSA-N",848842,NA,"PDBC16776","667464","Present",NA,NA
+"16777","2-Phenyl-5H-naphtho[1,8-bc]furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-5H-naphtho[1,8-bc]furan-5-one",NA,"C1=CC=C(C=C1)C2=C3C=CC(=O)C4=C3C(=CC=C4)O2","OIBPBAHSVWNURP-UHFFFAOYSA-N",363563,NA,"PDBC16777","628527","Present",NA,NA
+"16778","2-Phenyl-6,10-dioxaspiro[4.5]dec-3-ene-1,1-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-6,10-dioxaspiro[4.5]dec-3-ene-1,1-dicarbonitrile",NA,"C1COC2(C=CC(C2(C#N)C#N)C3=CC=CC=C3)OC1","PICWVYBQSYUNDQ-UHFFFAOYSA-N",361488,NA,"PDBC16778","624525","Present",NA,NA
+"16779","2-Phenyl-6,11-dihydro-5H-furo[2',3':4,5]pyrrolo[2,1-c][1,4]benzodiazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Phenyl-14-oxa-1,9-diazatetracyclo[9.6.0.03,8.013,17]heptadeca-3,5,7,11,13(17),15-hexaen-10-one",NA,"C1C2=CC=CC=C2NC(=O)C3=CC4=C(N31)C=C(O4)C5=CC=CC=C5","WYKGAGTUIWIKDI-UHFFFAOYSA-N",381007,NA,"PDBC16779","666992","Present",NA,NA
+"16780","2-Phenyl-6-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-6-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OC4=NN=NN4C5=CC=CC=C5","GMYNLZZNTJORKN-UHFFFAOYSA-N",386037,NA,"PDBC16780","677603","Present",NA,NA
+"16781","2-Phenyl-6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenoxy)methyl]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenoxy)methyl]quinoxaline",NA,"COC1=CC(=CC(=C1OC)OC)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","GRRZLVIPKQMIRO-UHFFFAOYSA-N",389675,NA,"PDBC16781","686052","Present",NA,NA
+"16782","2-Phenyl-6-piperidin-1-yl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-6-(piperidin-1-yl)quinolin-4(1H)-one",NA,"C1CCN(CC1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4","PONMWSOZLIYVHK-UHFFFAOYSA-N",381130,NA,"PDBC16782","667447","Present",NA,NA
+"16783","2-Phenyl-6-pyrrolidin-1-yl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-6-(pyrrolidin-1-yl)quinolin-4(1H)-one",NA,"C1CCN(C1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4","OJBHJVPYBHYBSC-UHFFFAOYSA-N",381128,NA,"PDBC16783","667445","Present",NA,NA
+"16784","2-Phenyl-7-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-7-((1-phenyl-1H-tetraazol-5-yl)oxy)-4H-chromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OC4=NN=NN4C5=CC=CC=C5","AVXWNBOPCKZEEY-UHFFFAOYSA-N",386038,NA,"PDBC16784","677604","Present",NA,NA
+"16785","2-Phenyl-7-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxalin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-7-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxalin-5-amine",NA,"COC1=CC(=CC(=C1OC)OC)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","ZQCJMYOXILPVEI-UHFFFAOYSA-N",388334,NA,"PDBC16785","683069","Present",NA,NA
+"16786","2-Phenyl-7-hydroxy-8-(3,4-dimethoxyphenyl)pyrazolo[1,5-a]-1,3,5-triazine-4(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3,4-Dimethoxyphenyl)-2-phenyl-4-sulfanylidene-1,6-dihydropyrazolo[1,5-a][1,3,5]triazin-7-one",NA,"COC1=C(C=C(C=C1)C2=C3NC(=NC(=S)N3NC2=O)C4=CC=CC=C4)OC","BKKKLEQGOBYLRU-UHFFFAOYSA-N",5471324,NA,"PDBC16786","710458","Present",NA,NA
+"16787","2-Phenyl-7-methyl-1,8-naphthyridine-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000382",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3","USYVLFNTOOQIMZ-UHFFFAOYSA-N",5467768,NA,"PDBC16787","658867","Present",NA,NA
+"16788","2-Phenyl-8-(piperidine-1-carbonyl)-7,8-dihydro-5H-[1,2,4]triazolo[1,2-a]pyridazine-1,3,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-8-(piperidine-1-carbonyl)-7,8-dihydro-5H-[1,2,4]triazolo[1,2-a]pyridazine-1,3,6-trione",NA,"C1CCN(CC1)C(=O)C2CC(=O)CN3N2C(=O)N(C3=O)C4=CC=CC=C4","IGGRILKUTIKDAR-UHFFFAOYSA-N",394244,NA,"PDBC16788","697573","Present",NA,NA
+"16789","2-Phenyl-8-sulfanyl-4(1H)-quinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8SH-2Ph-Quinol4one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C(=CC=C3)S","RBUQLDTVPBGGCE-UHFFFAOYSA-N",377398,NA,"PDBC16789","658841","Present",NA,NA
+"16790","2-Phenyl-9,9a-dihydro-1H,4aH-indeno[1',2':3,4][1,2]diazeto[1,2-a][1,2,4]triazole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Phenyl-10,12,14-triazatetracyclo[7.5.0.02,7.010,14]tetradeca-2,4,6-triene-11,13-dione",NA,"C1C2C(C3=CC=CC=C31)N4N2C(=O)N(C4=O)C5=CC=CC=C5","LHUQGDHDTNVKTL-UHFFFAOYSA-N",391640,NA,"PDBC16790","691126","Present",NA,NA
+"16791","2-Phenyl-N-[(3S,9R,13S)-2,8,12-trioxo-11-oxa-1,7-diazatricyclo[11.3.0.03,7]hexadecan-9-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-N-[(3S,9R,13S)-2,8,12-trioxo-11-oxa-1,7-diazatricyclo[11.3.0.03,7]hexadecan-9-yl]acetamide",NA,"C1CC2C(=O)OCC(C(=O)N3CCCC3C(=O)N2C1)NC(=O)CC4=CC=CC=C4","SNASQQZXAQOOIZ-IKGGRYGDSA-N",381189,NA,"PDBC16791","667520","Present",NA,NA
+"16792","2-Phenyl-N-[2-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]ethyl]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-N-[2-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]ethyl]quinoline-4-carboxamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCNCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","KMMHCDBZYFXNIU-UHFFFAOYSA-N",384379,NA,"PDBC16792","674087","Present",NA,NA
+"16793","2-Phenyl-N-[2-[2-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]ethylamino]ethyl]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-N-[2-[2-[2-[(2-phenylquinoline-4-carbonyl)amino]ethylamino]ethylamino]ethyl]quinoline-4-carboxamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCNCCNCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","ZTTZZTPTFFRXLO-UHFFFAOYSA-N",384381,NA,"PDBC16793","674089","Present",NA,NA
+"16794","2-Phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-N-[3-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]propyl]quinoline-4-carboxamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","SJJRPBWGEFLAEB-UHFFFAOYSA-N",384126,NA,"PDBC16794","673414","Present",NA,NA
+"16795","2-Phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-N-[3-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butylamino]propyl]quinoline-4-carboxamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","UKCDZDJZYKMPAA-UHFFFAOYSA-N",384384,NA,"PDBC16795","674091","Present",NA,NA
+"16796","2-Phenyl-N-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butyl]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-N-[4-[3-[(2-phenylquinoline-4-carbonyl)amino]propylamino]butyl]quinoline-4-carboxamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","UHOSYLRTJYGKOL-UHFFFAOYSA-N",384380,NA,"PDBC16796","674088","Present",NA,NA
+"16797","2-Phenyl-N-[6-[(2-phenylquinoline-4-carbonyl)amino]hexyl]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-N-[6-[(2-phenylquinoline-4-carbonyl)amino]hexyl]quinoline-4-carboxamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","KBQKSRBWSOYBTB-UHFFFAOYSA-N",384388,NA,"PDBC16797","674094","Present",NA,NA
+"16798","2-Phenyl-N-[8-[(2-phenylquinoline-4-carbonyl)amino]octyl]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-N-[8-[(2-phenylquinoline-4-carbonyl)amino]octyl]quinoline-4-carboxamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCCCCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","ZFLISLRWWIBXEH-UHFFFAOYSA-N",384387,NA,"PDBC16798","674093","Present",NA,NA
+"16799","2-Phenyl-oxazolo(4,5-c)quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-oxazolo(4,5-c)quinolin-4-one",NA,"C1=CC=C(C=C1)C2=NC3=C(O2)C4=CC=CC=C4NC3=O","WEVBZMVDUUWBJH-UHFFFAOYSA-N",387468,NA,"PDBC16799","681272","Present",NA,NA
+"16800","2-Phenylbenzotriazole-4,5-dione oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenylbenzotriazole-4,5-dione oxime",NA,"C1=CC=C(C=C1)N2N=C3C=CC(=C(C3=N2)N=O)NO","JCKOLZBILBFJDI-UHFFFAOYSA-N",382089,NA,"PDBC16800","669448","Present",NA,NA
+"16801","2-Phenyldiazenylpropanediimidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC22959",NA,"C1=CC=C(C=C1)N=NC(C(=N)N)C(=N)N.Cl","JJILQSLAXXASGO-UHFFFAOYSA-N",12760602,NA,"PDBC16801","22959","Present",NA,NA
+"16802","2-Phenylethyl 3-(3,4-dihydroxyphenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenethyl 3-(3,4-dihydroxyphenyl)propanoate",NA,"C1=CC=C(C=C1)CCOC(=O)CCC2=CC(=C(C=C2)O)O","HRJHXJRZYZYNAT-UHFFFAOYSA-N",380847,NA,"PDBC16802","666586","Present",NA,NA
+"16803","2-Phenylhydrazono-5-phenyl-3,6-dihydro-1,3,4-thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenylhydrazono-5-phenyl-3,6-dihydro-1,3,4-thiadiazine",NA,"C1C(=NNC(=NNC2=CC=CC=C2)S1)C3=CC=CC=C3","ZSLYYOHSHWQZJF-UHFFFAOYSA-N",135503977,NA,"PDBC16803","633317","Present",NA,NA
+"16804","2-Phenylimidazo[1,2-a]pyridin-3-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenylimidazo[1,2-a]pyridin-3-ol;hydrochloride",NA,"C1=CC=C(C=C1)C2=C(N3C=CC=CC3=N2)O.Cl","DBFAWJTVUHFFAW-UHFFFAOYSA-N",367301,NA,"PDBC16804","636860","Present",NA,NA
+"16805","2-Phenylimidazo[1,2-c]pyrimidin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kinome_3223",NA,"C1=CC=C(C=C1)C2=CN3C=NC(=CC3=N2)N","TVMNBJGPUXIPFT-UHFFFAOYSA-N",404051,NA,"PDBC16805","720146","Present",NA,NA
+"16806","2-Phenylisatogen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626105",NA,"C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C2=O)[O-]","WXFLHMJSSLDOPA-UHFFFAOYSA-N",74787,NA,"PDBC16806","626105","Present",NA,NA
+"16807","2-Phenylmethoxyoxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BENZYL .BETA.-D-ARABINOPYRANOSIDE",NA,"C1C(C(C(C(O1)OCC2=CC=CC=C2)O)O)O","XUGMDBJXWCFLRQ-UHFFFAOYSA-N",220191,NA,"PDBC16807","2561","Present",NA,NA
+"16808","2-Phenylpent-4-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE21820",NA,"C=CCC(C1=CC=CC=C1)C(=O)O","IQZLXJUYCRPXRG-UHFFFAOYSA-N",101104,NA,"PDBC16808","400159","Present",NA,NA
+"16809","2-Phenylpyrazino[2,3-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenylpyrazino[2,3-b]quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=NC4=CC=CC=C4N=C3N=C2","ILVJSCIBHRYTMB-UHFFFAOYSA-N",279245,NA,"PDBC16809","129585","Present",NA,NA
+"16810","2-Phenylpyrido[1,2-a]benzimidazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenylpyrido[1,2-a]benzimidazol-4-ol",NA,"C1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C2)O","IUHCEWBOCPNTBP-UHFFFAOYSA-N",384461,NA,"PDBC16810","674263","Present",NA,NA
+"16811","2-Phenylpyrimido[4',5':4,5][1,3]thiazolo[3,2-a]benzimidazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,9,11,13,15-hexaen-6-one",NA,"C1=CC=C(C=C1)C2=NC3=C(C(=O)N2)SC4=NC5=CC=CC=C5N34","LGJZMECJSHZHSK-UHFFFAOYSA-N",135489880,NA,"PDBC16811","687826","Present",NA,NA
+"16812","2-Phenylquinolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-4-quinolone",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3N2","JGABMVVOXLQCKZ-UHFFFAOYSA-N",161091,NA,"PDBC16812","28866","Present",NA,NA
+"16813","2-Phenylthiazolo[3,2-b][1,2,4]triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenylthiazolo[3,2-b][1,2,4]triazole",NA,"C1=CC=C(C=C1)C2=NN3C=CSC3=N2","XLZGHZABCSQUCD-UHFFFAOYSA-N",361519,NA,"PDBC16813","624642","Present",NA,NA
+"16814","2-Phenylvinylformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Styrylformamide",NA,"C1=CC=C(C=C1)C=CNC=O","YRMFFVVOVRAQOU-VOTSOKGWSA-N",6081420,NA,"PDBC16814","610185","Present",NA,NA
+"16815","2-Phthalimidoglutaric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"glutamic acid, phthalyl-",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC(=O)O)C(=O)O","FEFFSKLJNYRHQN-UHFFFAOYSA-N",92225,NA,"PDBC16815","43131","Present",NA,NA
+"16816","2-Piperazin-1-yl-N-(pyridin-4-ylmethyl)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Piperazinyl)-N-(4-pyridinylmethyl)ethanamine",NA,"C1CN(CCN1)CCNCC2=CC=NC=C2","IBYTYGDHBRNVOK-UHFFFAOYSA-N",248754,NA,"PDBC16816","66185","Present",NA,NA
+"16817","2-Piperazin-1-ylethanol;platinum(4+);hexachloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Piperazin-1-ylethanol;platinum(4+);hexachloride",NA,NA,NA,NA,NA,"PDBC16817","248569","Present",NA,NA
+"16818","2-Piperazin-1-ylethyl 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Piperazin-1-ylethyl 4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene-10-carboxylate;hydrochloride",NA,"COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3C(=O)OCCN5CCNCC5.Cl","NSVOEVZVPZWTSN-UHFFFAOYSA-N",375714,NA,"PDBC16818","655652","Present",NA,NA
+"16819","2-Piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AP-155",NA,"C1CN(CCN1)C2=CC(=O)N3C=CC=CC3=N2","YMZVMQZXOZLAIX-UHFFFAOYSA-N",388268,NA,"PDBC16819","682882","Present",NA,NA
+"16820","2-Piperidin-1-yl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Piperidin-1-yl-3,4-dihydro-2H-phenanthren-1-one;hydrochloride",NA,"C1CCN(CC1)C2CCC3=C(C2=O)C=CC4=CC=CC=C34.Cl","YSSQMGMFIPQRNQ-UHFFFAOYSA-N",24200921,NA,"PDBC16820","402409","Present",NA,NA
+"16821","2-Piperidin-1-ylethyl carbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC121771",NA,"C1CCN(CC1)CCSC(=N)N.Cl","JSAKTUMSKGVVOW-UHFFFAOYSA-N",54610141,NA,"PDBC16821","121771","Present",NA,NA
+"16822","2-Piperidinecarboxylic acid, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Piperidinecarboxylic acid, 2-acetylhydrazide, monohydrochloride (9CI)",NA,"CC(=O)NNC(=O)C1CCCCN1.Cl","GXJAGECJDOGHJW-UHFFFAOYSA-N",21144425,NA,"PDBC16822","114811","Present",NA,NA
+"16823","2-Piperidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"valerolactim",NA,"C1CCNC(=O)C1","XUWHAWMETYGRKB-UHFFFAOYSA-N",12665,NA,"PDBC16823","18894","Present",NA,NA
+"16824","2-Prop-1-ynyl-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772536",NA,"CC#CC1=NC2=CC=CC=C2C(=O)N1","RFXIGOCPTVMRDK-UHFFFAOYSA-N",151707656,NA,"PDBC16824","772536","Present",NA,NA
+"16825","2-Propan-2-ylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propan-2-ylidene-5-(pyrrolidin-1-ylmethyl)cyclopentan-1-one;hydrochloride",NA,"CC(=C1CCC(C1=O)CN2CCCC2)C.Cl","JXTSOOUPWVXIOP-UHFFFAOYSA-N",368793,NA,"PDBC16825","639987","Present",NA,NA
+"16826","2-Propanol, 1-amino-3-(hexadecylamino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propanol, 1-amino-3-(hexadecylamino)-",NA,"CCCCCCCCCCCCCCCCNCC(CN)O","GNSGPFUUHJVGPK-UHFFFAOYSA-N",300721,NA,"PDBC16826","175995","Present",NA,NA
+"16827","2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propanone, 1-chloro-3-(triphenylphosphoranylidene)-",NA,"C1=CC=C(C=C1)P(=CC(=O)CCl)(C2=CC=CC=C2)C3=CC=CC=C3","NYAMPFDYTBDISG-UHFFFAOYSA-N",287004,NA,"PDBC16827","146374","Present",NA,NA
+"16828","2-Propanone, 2-(9H-purin-6-yl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propanone, 2-(9H-purin-6-yl)hydrazone",NA,"CC(=NNC1=NC=NC2=C1NC=N2)C","XFVMXPHMLRAJJB-UHFFFAOYSA-N",520491,NA,"PDBC16828","45641","Present",NA,NA
+"16829","2-Propen-1-one, 1-(8-hydroxy-2-methyl-4-quinolinyl)-3-(8...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-(8-hydroxy-2-methyl-4-quinolinyl)-3-(8...",NA,NA,NA,NA,NA,"PDBC16829","781665","Present",NA,NA
+"16830","2-Propen-1-one, 2-((dimethylamino)methyl)-1-phenyl-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-phenyl-, hyd...",NA,"CN(C)CC(=C)C(=O)C1=CC=CC=C1.Cl","SLQVHPCGONHBGQ-UHFFFAOYSA-N",3063374,NA,"PDBC16830","382011","Present",NA,NA
+"16831","2-Propen-1-one, 3-(1-naphthalenyl)-1-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 3-(1-naphthalenyl)-1-phenyl- (9CI)",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC=CC3=CC=CC=C32","DUXOKTVNGKSFTK-BUHFOSPRSA-N",5712119,NA,"PDBC16831","39803","Present",NA,NA
+"16832","2-Propen-1-one,3,5-cycloheptriene-2-yl)-3-(4-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-(1-hydroxy-7-oxo-1,3,5-cycloheptriene-...",NA,"C1=CC(=C(C(=O)C=C1)O)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]","XOEHJLARIPTYHM-YFHOEESVSA-N",54604759,NA,"PDBC16832","356778","Present",NA,NA
+"16833","2-Propen-1-one,4,5-trimethoxyphenyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4,5- trim...",NA,"CN(C)CC(=C)C(=O)C1=CC(=C(C=C1OC)OC)OC.Cl","FXRGJPIDIRVHAK-UHFFFAOYSA-N",13958694,NA,"PDBC16833","382005","Present",NA,NA
+"16834","2-Propen-1-one,4-dichlorophenyl)amino]-4-methyl-5-thiazolyl]-3-(5-benzodioxolyl)-, (2,4-nitrophenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-[2-[(3,4-dichlorophenyl)amino]- 4-meth...",NA,"CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=CC4=CC5=C(C=C4)OCO5","XMVYWVBUSJUSOT-BPWRLLBASA-N",135488945,NA,"PDBC16834","640335","Present",NA,NA
+"16835","2-Propen-1-one,4-dihydroxyphenyl)-3-(2-hydroxy-phenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(2-hydroxy- ph...",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=C(C=C(C=C2)O)O)O","MACMAADVRVVHBD-YVMONPNESA-N",54608624,NA,"PDBC16835","636790","Present",NA,NA
+"16836","2-Propen-1-one,4-dimethyl phenyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,4-dimethy...",NA,"CC1=CC(=C(C=C1)C(=O)C(=C)CN(C)C)C.Cl","NHFCYZSRTLOMMF-UHFFFAOYSA-N",13958696,NA,"PDBC16836","382000","Present",NA,NA
+"16837","2-Propen-1-one,5-dimethyl phenyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2,5-dimethy...",NA,"CC1=CC(=C(C=C1)C)C(=O)C(=C)CN(C)C.Cl","UYSHKPUUOKBNLN-UHFFFAOYSA-N",13958697,NA,"PDBC16837","382001","Present",NA,NA
+"16838","2-Propenamide, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-cyano-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenamide, 3-(3-bromo-4-hydroxy-5-methoxyphenyl)-2-c...",NA,"COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N)Br)O","QRGSSWYQKGUUQU-FARCUNLSSA-N",709958,NA,"PDBC16838","343039","Present",NA,NA
+"16839","2-Propenamide,1-dimethylethyl)-N-(phenylmethyl)-3-(phenylsulfinyl)-, (2Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenamide, N-(1,1-dimethylethyl)-N-(phenylmethyl)- 3...",NA,"CC(C)(C)N(CC1=CC=CC=C1)C(=O)C=CS(=O)C2=CC=CC=C2","ADHHICUYPKOBSF-PFONDFGASA-N",5470812,NA,"PDBC16839","705331","Present",NA,NA
+"16840","2-Propenamide,2,3,4-tetrahydro-6-methyl-2,4-dioxo-5-pyrimidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenamide, N-[2-(decylsulfinyl)-1-(hydroxymethyl)eth...",NA,"CCCCCCCCCCS(=O)CC(CO)NC(=O)C=CC1=C(NC(=O)NC1=O)C","WEIMMLJFQRUMOU-VAWYXSNFSA-N",5358593,NA,"PDBC16840","266763","Present",NA,NA
+"16841","2-Propenenitrile, 3-[3-(dimethylamino)phenyl]-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenenitrile, 3-[3-(dimethylamino)phenyl]-2-phenyl-",NA,"CN(C)C1=CC=CC(=C1)C=C(C#N)C2=CC=CC=C2","JDZSJXYNKBVSLD-LFIBNONCSA-N",5351425,NA,"PDBC16841","667251","Present",NA,NA
+"16842","2-Propenoic acid, 3-(4-methoxy-6-oxo-6H-pyran-2-yl)-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenoic acid, 3-(4-methoxy-6-oxo-6H-pyran-2-yl)-, et...",NA,"CCOC(=O)C(=CC1=CC(=CC(=O)O1)OC)O","UNWIJHNOFQKXPG-UITAMQMPSA-N",54679369,NA,"PDBC16842","628339","Present",NA,NA
+"16843","2-Propenone, hydrobromide, (Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenone, 1-(4-bromophenyl)-2-(4-morpholinylmethyl)-3...",NA,"C1COCCN1CC(=CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br.Br","WBINJDOUDKYOKE-NYAKATHWSA-N",24193247,NA,"PDBC16843","150311","Present",NA,NA
+"16844","2-Propenone,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-3-(1H-pyrazol-3-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenone, 1-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphen...",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C=CC2=CC=NN2","MIKNOXVYSSHZAA-BQYQJAHWSA-N",5471160,NA,"PDBC16844","709104","Present",NA,NA
+"16845","2-Propyl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-propyl estradiol",NA,"CCCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","SNMHUYUZYYNVIH-OKSLILNBSA-N",381023,NA,"PDBC16845","667046","Present",NA,NA
+"16846","2-Propyl-3-(2-propyl-1H-indol-3-yl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-Bi-1H-Indole, 2,2'-dipropyl-",NA,"CCCC1=C(C2=CC=CC=C2N1)C3=C(NC4=CC=CC=C43)CCC","DQPQLUBLJYSDMS-UHFFFAOYSA-N",392793,NA,"PDBC16846","693714","Present",NA,NA
+"16847","2-Propynoic acid,4-diyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propynoic acid, 2-butyne-1,4-diyl ester",NA,"C#CC(=O)OCC#CCOC(=O)C#C","NYTVPHFBPXCEFK-UHFFFAOYSA-N",305546,NA,"PDBC16847","202554","Present",NA,NA
+"16848","2-Propynyl 2,4-diamino-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asparagine, 2-propynyl ester",NA,"C#CCOC(=O)C(CC(=O)N)N","NTGQMWKVMKQQIU-UHFFFAOYSA-N",387276,NA,"PDBC16848","680927","Present",NA,NA
+"16849","2-Pyrazinecarbox-N-(2-benzothienylmethylene)amidrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-Benzothiophen-2-ylmethyleneamino]pyrazine-2-carboxamidine",NA,"C1=CC=C2C(=C1)C=C(S2)C=NN=C(C3=NC=CN=C3)N","VHBBABWHQDVYQH-QGMBQPNBSA-N",9575101,NA,"PDBC16849","709089","Present",NA,NA
+"16850","2-Pyrazinecarbox-N-(2-benzoxazolylmethylene)amidrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-1,3-Benzoxazol-2-ylmethyleneamino]pyrazine-2-carboxamidine",NA,"C1=CC=C2C(=C1)N=C(O2)C=NN=C(C3=NC=CN=C3)N","AJGIVPALLOUAFZ-CAOOACKPSA-N",9575105,NA,"PDBC16850","709090","Present",NA,NA
+"16851","2-Pyrazolin-5-one, 1-[(2-hydroxyphenyl)carbonyl]-3-methyl-4-[(4-nitrophenyl)methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyrazolin-5-one, 1-[(2-hydroxyphenyl)carbonyl]- 3-meth...",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3O","IETVLFYBRBRYJY-XNTDXEJSSA-N",5467414,NA,"PDBC16851","652175","Present",NA,NA
+"16852","2-Pyridin-1-ium-1-ylhexadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyridin-1-ium-1-ylhexadecanoate",NA,"CCCCCCCCCCCCCCC(C(=O)[O-])[N+]1=CC=CC=C1","JCMOEFKIKXJILZ-UHFFFAOYSA-N",24200447,NA,"PDBC16852","374653","Present",NA,NA
+"16853","2-Pyridin-2-ylsulfanyl-6-(trifluoromethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Pyridylsulfanyl)-6-(trifluoromethyl)quinoxaline",NA,"C1=CC=NC(=C1)SC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","ISFKQEPUOIUUGX-UHFFFAOYSA-N",399538,NA,"PDBC16853","710402","Present",NA,NA
+"16854","2-Pyridin-3-yl-1,2-benzoselenazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Benzisoselenazol-3(2H)-one, 2-(3-pyridinyl)-",NA,"C1=CC=C2C(=C1)C(=O)N([Se]2)C3=CN=CC=C3","USKVYNKDRAWQBW-UHFFFAOYSA-N",174767,NA,"PDBC16854","639767","Present",NA,NA
+"16855","2-Pyridin-3-yl-2,3-dihydro-1H-perimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL361983",NA,"C1=CC2=C3C(=C1)NC(NC3=CC=C2)C4=CN=CC=C4","ZUOLBTXPELTJQQ-UHFFFAOYSA-N",256661,NA,"PDBC16855","83715","Present",NA,NA
+"16856","2-Pyridin-3-ylacetohydrazide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18355",NA,"C1=CC(=CN=C1)CC(=O)NN.Cl","KGOXMUXJKGDDQW-UHFFFAOYSA-N",54601757,NA,"PDBC16856","18355","Present",NA,NA
+"16857","2-Pyridin-3-ylpyrido[2,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-pyridyl)-1,3,8-triazanaphthalene",NA,"C1=CC(=CN=C1)C2=NC=C3C=CC=NC3=N2","MKJGBTYCQKYWMA-UHFFFAOYSA-N",377554,NA,"PDBC16857","659121","Present",NA,NA
+"16858","2-Pyridin-4-yl-5,6,7,8,9,10-hexahydro-3H-cycloocta[2,3]thieno[2,4-b]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Pyridyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno...",NA,"C1CCCC2=C(CC1)C3=C(S2)N=C(NC3=O)C4=CC=NC=C4","QYYCMPMKLOCUIQ-UHFFFAOYSA-N",72196544,NA,"PDBC16858","764316","Present",NA,NA
+"16859","2-Pyridinecarbaldehyde (5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyridinecarbaldehyde (5-methyl-5H-[1,2,4]triazino[5,6-...",NA,"CN1C2=CC=CC=C2C3=C1N=C(N=N3)NN=CC4=CC=CC=N4","QTVNIFNYIYCKMI-VCHYOVAHSA-N",9555602,NA,"PDBC16859","370589","Present",NA,NA
+"16860","2-Pyridinecarbaldehyde N-(4-chlorophenyl)thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[(E)-2-pyridylmethyleneamino]thiourea",NA,"C1=CC=NC(=C1)C=NNC(=S)NC2=CC=C(C=C2)Cl","GRYWNXFAJVPYFP-CXUHLZMHSA-N",9571484,NA,"PDBC16860","670965","Present",NA,NA
+"16861","2-Pyridinecarboxaldehyde, (4-methyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyridinecarboxaldehyde, (4-methyl-2-quinolinyl)hydrazone",NA,"CC1=CC(=NC2=CC=CC=C12)NN=CC3=CC=CC=N3","IGPVPTZWRCVXDL-WOJGMQOQSA-N",9569341,NA,"PDBC16861","332425","Present",NA,NA
+"16862","2-Pyridinecarboxaldehyde, 2-quinolinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Picolinealdehyde-2-quinolylhydrazone",NA,"C1=CC=C2C(=C1)C=CC(=N2)NN=CC3=CC=CC=N3","RQKUHYQNHJJIFO-GZTJUZNOSA-N",6436860,NA,"PDBC16862","527347","Present",NA,NA
+"16863","2-Pyridinecarboximidic acid, (5-nitro-2-benzoxazolyl)hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyridinecarboximidic acid, (5-nitro-2-benzoxazolyl)hyd...",NA,"C1=CC=NC(=C1)C(=NNC2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])N","SIEDEFZPEHSZPB-UHFFFAOYSA-N",9572155,NA,"PDBC16863","705933","Present",NA,NA
+"16864","2-Pyridineselenenyl bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridylselenyl bromide",NA,"C1=CC=NC(=C1)[Se]Br","HORGYCFLJWJACY-UHFFFAOYSA-N",355898,NA,"PDBC16864","610578","Present",NA,NA
+"16865","2-Pyridinethiol, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"omadine sodium",NA,"C1=CC=[N+](C(=C1)S)[O-].[Na+]","WNGMMIYXPIAYOB-UHFFFAOYSA-N",23673459,NA,"PDBC16865","4483","Present",NA,NA
+"16866","2-Pyridinone, 3-chloro-4-hydroxy-1-beta-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyridinone, 3-chloro-4-hydroxy-1-beta-D-ribofuranosyl-",NA,"C1=CN(C(=O)C(=C1O)Cl)C2C(C(C(O2)CO)O)O","GLWRZDVTMJHWEG-UHFFFAOYSA-N",54716343,NA,"PDBC16866","603335","Present",NA,NA
+"16867","2-Pyridinylphosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyridinylphosphinic acid",NA,"C1=CC=NC(=C1)[P+](=O)O","QDYBCQWPQDPGHZ-UHFFFAOYSA-O",6328768,NA,"PDBC16867","632919","Present",NA,NA
+"16868","2-Pyridyl 4-methylphenyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 2-[(4-methylphenyl)sulfonyl]-",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=N2","PRPHNXQPIJBYSW-UHFFFAOYSA-N",365389,NA,"PDBC16868","633002","Present",NA,NA
+"16869","2-Pyrimidinecarboxamide, 4-hydroxy-6-phenyl-N-5-tetrazolyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyrimidinecarboxamide, 4-hydroxy-6-phenyl-N-5-tetrazolyl-",NA,"C1=CC=C(C=C1)C2=CC(=O)NC(=N2)C(=O)NC3=NNN=N3","VODOZLVGXJJZML-UHFFFAOYSA-N",135403623,NA,"PDBC16869","622187","Present",NA,NA
+"16870","2-Pyrrolidinecarboxamide, 1-[1-naphthalenyl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-N-(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyrrolidinecarboxamide, 1-[1-naphthalenyl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-N-(phenylmethyl)-",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC3=CC=CC=C32)N4C(CCC4=O)C(=O)NCC5=CC=CC=C5","KPPFVCJMPZVMST-UHFFFAOYSA-N",463775,NA,"PDBC16870","695846","Present",NA,NA
+"16871","2-Pyrrolidinecarboxamide, N-(aminocarbonyl)-1-[(4-chlorophenyl)sulfonyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyrrolidinecarboxamide, N-(aminocarbonyl)-1-[(4-chlorophenyl)sulfonyl]-5-oxo-",NA,"C1CC(=O)N(C1C(=O)NC(=O)N)S(=O)(=O)C2=CC=C(C=C2)Cl","WIISTQJPVANFEE-UHFFFAOYSA-N",370900,NA,"PDBC16871","644635","Present",NA,NA
+"16872","2-Pyrrolidinone, 1-[diazo(phenylsulfonyl)acetyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyrrolidinone, 1-[diazo(phenylsulfonyl)acetyl]-",NA,"C1CC(=O)N(C1)C(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2","QPXINKPAZPNZCL-UHFFFAOYSA-N",373299,NA,"PDBC16872","649449","Present",NA,NA
+"16873","2-Pyrrolidinone, 3-[(4-methoxyphenyl)methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyrrolidinone, 3-[(4-methoxyphenyl)methylene]-",NA,"COC1=CC=C(C=C1)C=C2CCNC2=O","PBERPURCNYNNSA-CSKARUKUSA-N",6375812,NA,"PDBC16873","99078","Present",NA,NA
+"16874","2-Quinoxalinecarbonitrile, 3-(4-chlorophenyl)-, 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-cyano-3-(4-clhloro)phenylquinoxaline",NA,"C1=CC=C2C(=C1)N(C(=C([N+]2=O)C#N)C3=CC=C(C=C3)Cl)[O-]","GHCITZLMAPABDB-UHFFFAOYSA-N",11594562,NA,"PDBC16874","725539","Present",NA,NA
+"16875","2-Quinoxalinecarbonitrile, 3-phenyl-, 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-cyano-3-phenylquinoxaline",NA,"C1=CC=C(C=C1)C2=C([N+](=O)C3=CC=CC=C3N2[O-])C#N","UEVRLCVBDJUNJX-UHFFFAOYSA-N",11579806,NA,"PDBC16875","725537","Present",NA,NA
+"16876","2-Quinoxalinecarbonitrile, 6,7-dichloro-3-(4-methylphenyl)-, 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-2-cyano-6,7-dichloro-3-(4-methyl)phenylqu...",NA,"CC1=CC=C(C=C1)C2=C([N+](=O)C3=CC(=C(C=C3N2[O-])Cl)Cl)C#N","GRSRWFFYYXEFGY-UHFFFAOYSA-N",11493966,NA,"PDBC16876","726183","Present",NA,NA
+"16877","2-Quinoxalinecarbonitrile, 7-chloro-3-(phenylamino)-, 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Quinoxalinecarbonitrile , 7-chloro-3-(phenylamino)-, 1...",NA,"C1=CC=C(C=C1)NC2=[N+](C3=C(C=C(C=C3)Cl)[N+](=C2C#N)[O-])[O-]","TZSAEEXSFZQNSH-UHFFFAOYSA-N",135400998,NA,"PDBC16877","693869","Present",NA,NA
+"16878","2-Quinoxalinecarboxylic acid, 3-[(3,4-dimethoxyphenyl)amino]-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Quinoxalinecarboxylic acid, 3-[(3,4-dimethoxyphenyl)amino]-, ethyl ester",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC(=C(C=C3)OC)OC","NKTVONIADOPLNS-UHFFFAOYSA-N",382847,NA,"PDBC16878","670677","Present",NA,NA
+"16879","2-Quinoxalinecarboxylic acid, 6,7-dichloro-3-methyl-, ethyl ester, 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Quinoxalinecarboxylic acid, 6,7-dichloro-3-methyl-, ethyl ester, 1,4-dioxide",NA,"CCOC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)Cl)Cl)[O-])C","NNTWXNHORDOYGA-UHFFFAOYSA-N",404287,NA,"PDBC16879","720468","Present",NA,NA
+"16880","2-Quinoxalinepropanamide, N-1H-benzimidazol-2-yl-6-benzoyl-3-hydroxy-a-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Quinoxalinepropanamide, N-1H-benzimidazol-2-yl-6-benzoyl-3-hydroxy-a-oxo-",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C(=O)NC4=NC5=CC=CC=C5N4","DLVBALDJLXGDJW-UHFFFAOYSA-N",372003,NA,"PDBC16880","646819","Present",NA,NA
+"16881","2-S-Dimethylarsino-2-thiobenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-S-dimethylarsino-2-thiobenzoic acid",NA,"C[As](C)SC1=CC=CC=C1C(=O)O","CPPNTXAMKHGBQK-UHFFFAOYSA-N",404813,NA,"PDBC16881","721333","Present",NA,NA
+"16882","2-Sulfanyl-N'-[2-[[2-[[(2-sulfanylbenzoyl)amino]carbamoyl]phenyl]disulfanyl]benzoyl]benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Sulfanyl-N'-[2-[[2-[[(2-sulfanylbenzoyl)amino]carbamoyl]phenyl]disulfanyl]benzoyl]benzohydrazide",NA,"C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)NNC(=O)C4=CC=CC=C4S)S","LLSCXYAYBZEUTP-UHFFFAOYSA-N",397254,NA,"PDBC16882","704782","Present",NA,NA
+"16883","2-Sulfanylidene-3-(3,4,5-trimethoxybenzoyl)imidazolidine-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo-3-(3,4,5-trimethoxybenzoyl)imidazolidine-1-carbaldehyde",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C2=S)C=O","ZHOKADJQDVHUHF-UHFFFAOYSA-N",396747,NA,"PDBC16883","703457","Present",NA,NA
+"16884","2-Tert-Butyl-3-hydroxy-3-(trifluoromethyl)-1-isoindolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tert-Butyl-3-hydroxy-3-(trifluoromethyl)-1-isoindolinone",NA,"CC(C)(C)N1C(=O)C2=CC=CC=C2C1(C(F)(F)F)O","QZBUBUCCMXNMEF-UHFFFAOYSA-N",388325,NA,"PDBC16884","683060","Present",NA,NA
+"16885","2-Tert-Butyl-4-(phenylthiomethylene)-1,2-dihydroisoquinoline-3(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tert-Butyl-4-(phenylthiomethylene)-1,2-dihydroisoquinoline-3(4H)-one",NA,"CC(C)(C)N1CC2=CC=CC=C2C(=CSC3=CC=CC=C3)C1=O","XFARBOFICGJUQV-JXAWBTAJSA-N",5470815,NA,"PDBC16885","705334","Present",NA,NA
+"16886","2-Tert-Butyl-4-(triphenylphosphoranylidene)oxazole-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tert-Butyl-4-(triphenylphosphoranylidene)oxazole-5(4H)-one",NA,"CC(C)(C)C1=NC(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O1","SBDQICIAANDLNV-UHFFFAOYSA-N",394303,NA,"PDBC16886","697670","Present",NA,NA
+"16887","2-Tert-Butylanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-tert-Butylanthraquinone",NA,"CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O","YTPSFXZMJKMUJE-UHFFFAOYSA-N",66532,NA,"PDBC16887","30548","Present",NA,NA
+"16888","2-Tert-Butylnaphth[2,3-d]oxazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-d]oxazole-4,9-dione, 2-(1,1-dimethylethyl)-",NA,"CC(C)(C)C1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=O","XYJGAIQEWRRGAX-UHFFFAOYSA-N",370622,NA,"PDBC16888","643915","Present",NA,NA
+"16889","2-Tert-butyl-2-[6-(1,1-dicyano-2,2-dimethyl-propyl)pyridazin-3-yl]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tert-butyl-2-[6-(1,1-dicyano-2,2-dimethyl-propyl)pyridazin-3-yl]propanedinitrile",NA,"CC(C)(C)C(C#N)(C#N)C1=NN=C(C=C1)C(C#N)(C#N)C(C)(C)C","PDEKDYMNXGZJII-UHFFFAOYSA-N",361636,NA,"PDBC16889","624855","Present",NA,NA
+"16890","2-Tert-butyl-2-azaspiro[3.5]nonan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tert-butyl-2-azaspiro[3.5]nonan-3-one",NA,"CC(C)(C)N1CC2(C1=O)CCCCC2","GCFCTYSFWNCODX-UHFFFAOYSA-N",357736,NA,"PDBC16890","617255","Present",NA,NA
+"16891","2-Tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tert-butyl-6-((dimethylamino)methyl)-4-isopropylphenol",NA,"CC(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CN(C)C","GVUNWVGYJROCEX-UHFFFAOYSA-N",228534,NA,"PDBC16891","21518","Present",NA,NA
+"16892","2-Tert-butyl-6-(4-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,3,5,6-tetramethylbenzyl)-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-(2,3,5,6-tetramethyl-1,4-phenylene)bis(methylene)bi...",NA,"CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=C(C(=C(C(=C2C)C)CC3=C(C(=CC(=C3)C)C(C)(C)C)O)C)C","DSJCTVARYPWIFZ-UHFFFAOYSA-N",291903,NA,"PDBC16892","157469","Present",NA,NA
+"16893","2-Tert-butyl-6-(5-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,4-dimethylbenzyl)-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tert-butyl-6-(5-(3-tert-butyl-2-hydroxy-5-methylbenzyl)-2,4-dimethylbenzyl)-4-methylphenol",NA,"CC1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC(=C(C=C2C)C)CC3=C(C(=CC(=C3)C)C(C)(C)C)O","KPIWBQQKOPSARL-UHFFFAOYSA-N",245617,NA,"PDBC16893","57725","Present",NA,NA
+"16894","2-Tert-butylcarbonyl-3-trifluoromethylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-tert-butylcarbonyl-3-trifluoromethylquinoxaline",NA,"CC(C)(C)C(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])C(F)(F)F","CYUAYNJCNIAYIW-UHFFFAOYSA-N",24203213,NA,"PDBC16894","727206","Present",NA,NA
+"16895","2-Tert-butylcarbonyl-6,7-dichloro-3-trifluoromethylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-tert-butylcarbonyl -6,7-dichloro-3-trifluoromethylquin...",NA,"CC(C)(C)C(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)Cl)Cl)[O-])C(F)(F)F","NLLWVXJHZURLJI-UHFFFAOYSA-N",24203212,NA,"PDBC16895","727205","Present",NA,NA
+"16896","2-Tert-butylsulfanylcarbothioylsulfanyl-1-(4-chloro-3-methyl-phenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tert-butylsulfanylcarbothioylsulfanyl-1-(4-chloro-3-methyl-phenyl)ethanone",NA,"CC1=C(C=CC(=C1)C(=O)CSC(=S)SC(C)(C)C)Cl","AKTHGADVIFAPPT-UHFFFAOYSA-N",342550,NA,"PDBC16896","379543","Present",NA,NA
+"16897","2-Tetrahydropyran-2-ylbenzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tetrahydropyran-2-ylbenzotriazole",NA,"C1CCOC(C1)N2N=C3C=CC=CC3=N2","QPCLWGZYICOXBZ-UHFFFAOYSA-N",388094,NA,"PDBC16897","682557","Present",NA,NA
+"16898","2-Thenylamine, alpha-cyclopropyl-N-(2-oxazolinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-149330",NA,"C1CC1C(C2=CC=CS2)NC3=NCCO3","VJHWETIJMQYHCX-UHFFFAOYSA-N",215269,NA,"PDBC16898","664297","Present",NA,NA
+"16899","2-Thia-1,3,5,7-tetrazaadamantane, 2,2-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thia-1,3,5,7-tetraazaadamantane, 2,2-dioxide",NA,"C1N2CN3CN1CN(C2)S3(=O)=O","GIMJMQVYJORODJ-UHFFFAOYSA-N",64164,NA,"PDBC16899","160127","Present",NA,NA
+"16900","2-Thiazolamine, 4-[5-(4-nitrophenyl)-2-furanyl]-N-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiazolamine, 4-[5-(4-nitrophenyl)-2-furanyl]-N-phenyl-",NA,"C1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]","HTNBBJDKDCJXJL-UHFFFAOYSA-N",367867,NA,"PDBC16900","638033","Present",NA,NA
+"16901","2-Thiazolidinethione, 4-methyl-3-[(4-methyl-2-thioxo-3-thiazolidinyl)carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiazolidinethione, 4-methyl-3-[(4-methyl-2-thioxo-3-thiazolidinyl)carbonyl]-",NA,"CC1CSC(=S)N1C(=O)N2C(CSC2=S)C","HUOMTFGJVUIQSG-UHFFFAOYSA-N",375344,NA,"PDBC16901","654968","Present",NA,NA
+"16902","2-Thienylphosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thienylphosphinic acid",NA,"C1=CSC(=C1)[P+](=O)O","JCVUDCBIOSOBRZ-UHFFFAOYSA-O",6328770,NA,"PDBC16902","632921","Present",NA,NA
+"16903","2-Thiophenecarbaldehyde (4-chloro-2-(hydroxy(oxido)amino)phenyl)(methyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-methyl-2-nitro-N-[(E)-2-thienylmethyleneamino]aniline",NA,"CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N=CC2=CC=CS2","OPRXYNAMDXRDDE-RIYZIHGNSA-N",9555937,NA,"PDBC16903","658009","Present",NA,NA
+"16904","2-Thiophenecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiophenecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone",NA,"C1=CSC(=C1)C=NNC2=C(C=CC(=C2)Cl)[N+](=O)[O-]","BWUFIHVCRJIXQG-NTUHNPAUSA-N",9555936,NA,"PDBC16904","658008","Present",NA,NA
+"16905","2-Thiophenecarbothioamide, N-((4-chloro-3-((1,1-dimethylethoxy)iminomethyl)phenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiophenecarbothioamide, N-[4-chloro- 3-[(1,1-dimethyl...",NA,"CC1=C(SC=C1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)(C)C","SQQWWYVPSWFCLQ-VXLYETTFSA-N",9554694,NA,"PDBC16905","645540","Present",NA,NA
+"16906","2-Thiophenecarbothioamide, N-(4-chloro-3-(((1-methylethoxy)imino)methyl)phenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiophenecarbothioamide, N-[4-chloro-3-[(1-methylethox...",NA,"CC1=C(SC=C1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)C","RESAKFVTQFLGFK-GIJQJNRQSA-N",9554695,NA,"PDBC16906","647019","Present",NA,NA
+"16907","2-Thiophenecarboxaldehyde, 3-methyl-, pyrazinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiophenecarboxaldehyde, 3-methyl-, pyrazinylhydrazone",NA,"CC1=C(SC=C1)C=NNC2=NC=CN=C2","KAFSXAUEAFRYEE-AWNIVKPZSA-N",9556269,NA,"PDBC16907","683902","Present",NA,NA
+"16908","2-Thiophenecarboxaldehyde, 5,5'-(2,5-furandiyl)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiophenecarboxaldehyde, 5,5'-(2,5-furandiyl)bis-",NA,"C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)C=O)C=O","OFKNDOCRYWMQIK-UHFFFAOYSA-N",363820,NA,"PDBC16908","629035","Present",NA,NA
+"16909","2-Thiophenecarboxaldehyde, 5-[5-[5-(hydroxymethyl)-2-thienyl]-2-furanyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiophenecarboxaldehyde, 5-[5-[5-(hydroxymethyl)- 2-th...",NA,"C1=C(SC(=C1)C2=CC=C(O2)C3=CC=C(S3)C=O)CO","RPMXZAKYUQBPGO-UHFFFAOYSA-N",383733,NA,"PDBC16909","672170","Present",NA,NA
+"16910","2-Thiophenecarboxamide, N-3-pyridinyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755263",NA,"C1=CC(=CN=C1)NC(=O)C2=CC=CS2","UPLHUDRMLWWFRE-UHFFFAOYSA-N",790407,NA,"PDBC16910","755263","Present",NA,NA
+"16911","2-Thiophenecarboxylic acid, 2-hydroxy-3-](1-methylethyl amino]propyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiophenecarboxylic acid, 2-hydroxy-3-](1-methylethyl ...",NA,"CC(C)NCC(COC(=O)C1=CC=CS1)O.Cl","OPADPWVXUSOKEN-UHFFFAOYSA-N",361496,NA,"PDBC16911","624534","Present",NA,NA
+"16912","2-Thiophenesulfonamide,3-dihydro-5-(3-isoxazolyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiophenesulfonamide, N-[(4-chlorophenylamino)(hydroxy...",NA,"C1C=C(SC1S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NO)C3=NOC=C3","YTIJSBFBJUVJOG-UHFFFAOYSA-N",9572195,NA,"PDBC16912","707038","Present",NA,NA
+"16913","2-Thioxo trimethlene[c]thiopyrano[2,3-d]pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo trimethlene[c]thiopyrano[2,3-d]pyrimidin-6-one",NA,"C1CC2=C(C1)C(=S)SC3=C2C(=O)NC=N3","JTTWVRSNSVIDKU-UHFFFAOYSA-N",5473084,NA,"PDBC16913","723636","Present",NA,NA
+"16914","2-Thioxo-1,2-dihydro-5-[(biphenyl-4-yl)methylene]pyrimidine-4,6(3H,5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo-1,2-dihydro-5-[(biphenyl-4-yl)methylene]pyrimidine-4,6(3H,5H)-dione",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C=C3C(=O)NC(=S)NC3=O","WCHLHTXYKWJEJW-UHFFFAOYSA-N",3610426,NA,"PDBC16914","684571","Present",NA,NA
+"16915","2-Thioxo-1,3-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tetrahydro-4(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo-1,3-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tetrahydro-4(1H)-pyrimidinone",NA,"C1CN(C(=S)N(C1=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","MLCJONPKHKBJBL-UHFFFAOYSA-N",376169,NA,"PDBC16915","656703","Present",NA,NA
+"16916","2-Thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676616///NSC676619",NA,"C1CCCC2=C(CC1)C=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N","UKPICPQZFRGKQT-UHFFFAOYSA-N",385435,NA,"PDBC16916","676616///676619","Present",NA,NA
+"16917","2-Thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676617///NSC676621",NA,"C1CCC2=C(C1)C=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N","QWACLMFLANEADU-UHFFFAOYSA-N",385436,NA,"PDBC16917","676617///676621","Present",NA,NA
+"16918","2-Thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carbonitrile",NA,"C1CCC2=C(CC1)N(C(=S)C(=C2)C#N)C3C(C(C(C(O3)CO)O)O)O","WHZHBDCMWKMMOX-UHFFFAOYSA-N",385438,NA,"PDBC16918","676620","Present",NA,NA
+"16919","2-Thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile",NA,"C1CC2=C(C1)N(C(=S)C(=C2)C#N)C3C(C(C(C(O3)CO)O)O)O","MGQJPZMYRGPJRK-UHFFFAOYSA-N",385437,NA,"PDBC16919","676618","Present",NA,NA
+"16920","2-Thioxo-3-(morpholinomethyl)-5-[(Z)-4-chlorobenzylidene]imidazolidine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo-3-(morpholinomethyl)-5-[(Z)-4-chlorobenzylidene]imidazolidine-4-one",NA,"C1COCCN1CN2C(=O)C(=CC3=CC=C(C=C3)Cl)NC2=S","FRISGZYAUUFDKT-LCYFTJDESA-N",5469470,NA,"PDBC16920","688932","Present",NA,NA
+"16921","2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-chlorobenzylidene]imidazolidine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-chlorobenzylidene]imidazolidine-4-one",NA,"C1CCN(CC1)CN2C(=O)C(=CC3=CC=C(C=C3)Cl)NC2=S","WJWUFNBKBXWAHL-UVTDQMKNSA-N",5469475,NA,"PDBC16921","688938","Present",NA,NA
+"16922","2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-methylbenzylidene]imidazolidine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-methylbenzylidene]imidazolidine-4-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CN3CCCCC3","VSCQZVWKBPYRBS-PTNGSMBKSA-N",5469474,NA,"PDBC16922","688937","Present",NA,NA
+"16923","2-Tridecenal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Tridecenal",NA,"CCCCCCCCCCC=CC=O","VMUNAKQXJLHODT-VAWYXSNFSA-N",5283363,NA,"PDBC16923","617616","Present",NA,NA
+"16924","2-Trifluoroethoxy-6-hydroxyiminoestra-1,5(10)-trien-3,17-beta-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Trifluoroethoxy-6-hydroxyiminoestra-1,3,5(10)-trien-3,...",NA,"CC12CCC3C(C1CCC2O)CC(=NO)C4=CC(=C(C=C34)OCC(F)(F)F)O","DNICCASOGBIQBS-WBNCGUHTSA-N",9571975,NA,"PDBC16924","681683","Present",NA,NA
+"16925","2-Trifluoroethoxy-6-oxo-3,3,5(10)-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Trifluoroethoxy-6-oxo-3,17.beta.-diacetyloxyestra-1,3,...",NA,"CC(=O)OC1CCC2C1(CCC3C2CC(=O)C4=CC(=C(C=C34)OCC(F)(F)F)OC(=O)C)C","CZHGPGQUUPKWLZ-PHUBBRROSA-N",387664,NA,"PDBC16925","681685","Present",NA,NA
+"16926","2-Trimethylsilylethyl 4-[ethyl(methoxy)phosphoryl]-3,6-dihydro-2H-pyridine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Trimethylsilylethyl 4-[ethyl(methoxy)phosphoryl]-3,6-dihydro-2H-pyridine-1-carboxylate",NA,"CCP(=O)(C1=CCN(CC1)C(=O)OCC[Si](C)(C)C)OC","HVOZYIAQUCRSPJ-UHFFFAOYSA-N",394606,NA,"PDBC16926","698186","Present",NA,NA
+"16927","2-Trimethylsilylethyl 4-[methoxy(methyl)phosphoryl]-3,6-dihydro-2H-pyridine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Trimethylsilylethyl 4-[methoxy(methyl)phosphoryl]-3,6-dihydro-2H-pyridine-1-carboxylate",NA,"COP(=O)(C)C1=CCN(CC1)C(=O)OCC[Si](C)(C)C","NLSOBAUVRXHOHQ-UHFFFAOYSA-N",394608,NA,"PDBC16927","698188","Present",NA,NA
+"16928","2-Trimethylstannyloxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Trimethylstannyloxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,"PDBC16928","644923","Present",NA,NA
+"16929","2-Triphenylphosphoranylidene-1-[2-[2-(2-triphenylphosphoranylideneacetyl)phenyl]phenyl]ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1,1'-[(1,1'-biphenyl)-2,2'-diyl] bis[2-(triphe...",NA,"C1=CC=C(C=C1)P(=CC(=O)C2=CC=CC=C2C3=CC=CC=C3C(=O)C=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","HMLIJGSRQAHTFN-UHFFFAOYSA-N",381571,NA,"PDBC16929","668360","Present",NA,NA
+"16930","2-Undecylimidazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Imidazoline, 2-undecyl-",NA,"CCCCCCCCCCCC1=NCCN1","FQHUDZKKDCTQET-UHFFFAOYSA-N",245858,NA,"PDBC16930","58180","Present",NA,NA
+"16931","2-[(1,3,4-Trimethyl-2,6-dioxopyrimidin-5-yl)methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1,3,4-Trimethyl-2,6-dioxo-pyrimidin-5-yl)methylene]propanedinitrile",NA,"CC1=C(C(=O)N(C(=O)N1C)C)C=C(C#N)C#N","NURGTXVLRXTBHV-UHFFFAOYSA-N",398630,NA,"PDBC16931","708597","Present",NA,NA
+"16932","2-[(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1,3-Dimethyl-2,4-dioxo-pyrimidin-5-yl)methylene]propanedinitrile",NA,"CN1C=C(C(=O)N(C1=O)C)C=C(C#N)C#N","OOTNCYPQOQHKSN-UHFFFAOYSA-N",398627,NA,"PDBC16932","708594","Present",NA,NA
+"16933","2-[(1,3-Dioxoinden-2-ylidene)amino]guanidine;sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1,3-Dioxoinden-2-ylidene)amino]guanidine;sulfuric acid",NA,"C1=CC=C2C(=C1)C(=O)C(=NN=C(N)N)C2=O.OS(=O)(=O)O","SOBDEZABSRLUET-UHFFFAOYSA-N",54609874,NA,"PDBC16933","67925","Present",NA,NA
+"16934","2-[(1,5-Diphenyl-1,2,4-triazol-3-yl)amino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3.4-dicarbamoyl-5-ethylthiopyrrol-2-yl)-(1.5-diphenyl-1...",NA,"CCSC1=C(C(=C(N1)NC2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N)C(=O)N","RRGUACWYPKCYKA-UHFFFAOYSA-N",378537,NA,"PDBC16934","661171","Present",NA,NA
+"16935","2-[(1-Adamantylmethylamino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766445",NA,"C1C2CC3CC1CC(C2)(C3)CNCC4=CC=CC=C4O","PHHQJRNBHFUTSH-UHFFFAOYSA-N",4041692,NA,"PDBC16935","766445","Present",NA,NA
+"16936","2-[(1-Anilino-4H-thiochromeno[3,4-d]imidazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1-Anilino-4H-thiochromeno[3,4-d]imidazol-2-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide",NA,"C1C2=C(C3=CC=CC=C3S1)N(C(=N2)SCC(=O)NC4=NC(=CS4)C5=CC=C(C=C5)Cl)NC6=CC=CC=C6","OFFIPAJYLGHKHR-UHFFFAOYSA-N",60148157,NA,"PDBC16936","753769","Present",NA,NA
+"16937","2-[(1-Benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(1-Benzoyl-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid",NA,"CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=CC=C3","OINAKONFDMULMT-UHFFFAOYSA-N",362548,NA,"PDBC16937","626622","Present",NA,NA
+"16938","2-[(1-Hydroxy-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-4-yl)oxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1-Hydroxy-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-4-yl)oxy]acetic acid",NA,"C1CC(=O)C2=C(C=CC(=C2C(=O)C1)OCC(=O)O)O","XHYNQOLWLMMIGT-UHFFFAOYSA-N",361669,NA,"PDBC16938","624887","Present",NA,NA
+"16939","2-[(1-Methyl-5-nitroimidazol-2-yl)methylidene]indene-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(1-Methyl-5-nitroimidazole-2-ylmethylene)-1,3-inda...",NA,"CN1C(=CN=C1C=C2C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]","BUWBDCKXKLWLFN-UHFFFAOYSA-N",44444332,NA,"PDBC16939","772275","Present",NA,NA
+"16940","2-[(1-Naphthylmethyl)thio]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_006523",NA,"C1=CC=C2C(=C1)C=CC=C2CSCC(=O)O","ILWCKTCKRREVNT-UHFFFAOYSA-N",270324,NA,"PDBC16940","112702","Present",NA,NA
+"16941","2-[(1-Oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1-Oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoic acid",NA,"C1CC2=C(C1)C3=C(CC(C3=O)CC4=CC=CC=C4C(=O)O)C=C2","QBXYCZCTPXCZBV-UHFFFAOYSA-N",385701,NA,"PDBC16941","677047","Present",NA,NA
+"16942","2-[(10-Methyl-9-oxoacridine-4-carbonyl)amino]-3-sulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(10-Methyl-9-oxo-acridine-4-carbonyl)amino]-3-sulfanyl-propanoic acid",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CS)C(=O)O","BMGVIQXHUBQNBD-UHFFFAOYSA-N",393799,NA,"PDBC16942","696567","Present",NA,NA
+"16943","2-[(10-Methyl-9-oxoacridine-4-carbonyl)amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(10-Methyl-9-oxo-acridine-4-carbonyl)amino]acetic acid",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NCC(=O)O","DPYQHMFACILICN-UHFFFAOYSA-N",393796,NA,"PDBC16943","696564","Present",NA,NA
+"16944","2-[(10-Oxidoacridin-10-ium-9-yl)amino]-3-sulfanyl-propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(10-Hydroxy-10.lambda.~5~-acridin-9-yl)cysteine",NA,"C1=CC=C2C(=C1)C(=NC(CS)C(=O)O)C3=CC=CC=C3N2O","WTDVUHBQGHLXIA-UHFFFAOYSA-N",494619,NA,"PDBC16944","627900","Present",NA,NA
+"16945","2-[(10-Oxidoacridin-10-ium-9-yl)amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(10-Oxidoacridin-10-ium-9-yl)amino]acetic acid",NA,"C1=CC=C2C(=C1)C(=NCC(=O)O)C3=CC=CC=C3N2O","VLSRPKZEZIAWME-UHFFFAOYSA-N",494621,NA,"PDBC16945","627902","Present",NA,NA
+"16946","2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]-3-sulfanyl-propanoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC(CS)C(=O)O","KMURGFIZSJATNI-UHFFFAOYSA-N",494613,NA,"PDBC16946","627894","Present",NA,NA
+"16947","2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(10-Oxidoacridin-10-ium-9-yl)methylamino]acetic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNCC(=O)O","JSUQESUMPVIEEY-UHFFFAOYSA-N",494615,NA,"PDBC16947","627896","Present",NA,NA
+"16948","2-[(11Bs)-6-oxo-4,4a,5,11b-tetrahydro-3H-[1,3]dioxolo[4,5-j]phenanthridin-4-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(11Bs)-6-oxo-3,4,4a,5,6,11b-hexahydro[1,3]dioxolo[4,5-j]phenanthridin-4-yl]acetic acid",NA,"C1C=CC2C(C1CC(=O)O)NC(=O)C3=CC4=C(C=C23)OCO4","VVVYVEBZOTYCIR-WWNCPBBQSA-N",375349,NA,"PDBC16948","654974","Present",NA,NA
+"16949","2-[(1E,3E)-Cyclotetradeca-1,3-dien-1-yl]propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1E,3E)-Cyclotetradeca-1,3-dien-1-yl]propan-2-ol",NA,"CC(C)(C1=CC=CCCCCCCCCCC1)O","ZGSAVJYRIRRUMZ-PQSJUVMFSA-N",5468654,NA,"PDBC16949","673535","Present",NA,NA
+"16950","2-[(1E,5E)-7-Chloro-2,6-dimethylhepta-1,5-dienyl]-4-methylideneoxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1E,5E)-7-Chloro-2,6-dimethylhepta-1,5-dienyl]-4-methylideneoxolane",NA,"CC(=CC1CC(=C)CO1)CCC=C(C)CCl","HRUBUKRQKSHKSA-IAVOFVOCSA-N",5387036,NA,"PDBC16950","619963","Present",NA,NA
+"16951","2-[(1H-Benzimidazol-2-ylamino)methyl]-4-chlorophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766497",NA,"C1=CC=C2C(=C1)NC(=N2)NCC3=C(C=CC(=C3)Cl)O","CICSCGMRUIMBNF-UHFFFAOYSA-N",787413,NA,"PDBC16951","766497","Present",NA,NA
+"16952","2-[(1H-Benzimidazol-2-ylmethylamino)methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681112",NA,"C1=CC=C(C(=C1)CNCC2=NC3=CC=CC=C3N2)O.Cl","SUUPTKJYHGWJKM-UHFFFAOYSA-N",387359,NA,"PDBC16952","681112","Present",NA,NA
+"16953","2-[(1R,2R,10Z)-2-[Tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3,4,7,8,9,11a,12-octahydro-1H-azocino[1,2-a]indol-1-yl]-N-hex-5-enylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1R,2R,10Z)-2-[Tert-butyl(dimethyl)silyl]oxy-6-oxo-2,3,4,7,8,9,11a,12-octahydro-1H-azocino[1,2-a]indol-1-yl]-N-hex-5-enylacetamide",NA,"CC(C)(C)[Si](C)(C)OC1CCC2=C(C1CC(=O)NCCCCC=C)CC3N2C(=O)CCCC=C3","KXYJMXIMQSTFBJ-LYLSYFFSSA-N",5471924,NA,"PDBC16953","715436","Present",NA,NA
+"16954","2-[(1R,2S,5S,6S,9Z,10R)-1,6-Dihydroxy-6-methyl-10-(3-hydroxypropyl)-2-[(2E,4E)-5,9-dimethyl-1-methylene-2,4,8-decatrienyl]spiro[4.5]decan-9-ylidene]propanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-(6R,10S,11S,14S,26R)-26-Hydroxy-15-methylidenespiroi...",NA,"CC(=CCCC(=CC=CC(=C)C1CCC2(C1O)C(C(=C(C)C=O)CCC2(C)O)CCCO)C)C","CKYPHBIOFUNLLX-GUUGYBTRSA-N",11969876,NA,"PDBC16954","631940","Present",NA,NA
+"16955","2-[(1S)-1-Benzyl-2-[2-(hydroxymethyl)pyrrol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1S)-1-Benzyl-2-[2-(hydroxymethyl)pyrrol-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione",NA,"C1=CC=C(C=C1)CC(C(=O)N2C=CC=C2CO)N3C(=O)C4=CC=CC=C4C3=O","FLSHQBKIXVUISS-IBGZPJMESA-N",473077,NA,"PDBC16955","670869","Present",NA,NA
+"16956","2-[(1S,2R,5E,9E,12S,13S)-2-Hydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-13-yl]prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1S,2R,5E,9E,12S,13S)-2-Hydroxy-2,6,10-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-13-yl]prop-2-enoic acid",NA,"CC1=CCCC(C2CC(C(O2)CC(=CCC1)C)C(=C)C(=O)O)(C)O","WNXYCXRMIDOLOU-ULYAPGBTSA-N",5470069,NA,"PDBC16956","697267","Present",NA,NA
+"16957","2-[(1S,2S)-2-Aminocyclohexyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1S,2S)-2-Aminocyclohexyl]-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one;hydrochloride",NA,"C1CCC(C(C1)N)N2C(=O)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O.Cl","KSWCAONXNAQFEC-NYQAKZAPSA-N",54612564,NA,"PDBC16957","710120","Present",NA,NA
+"16958","2-[(1S,2S,4As,4bR,10aR)-2,4b-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxo-3,4,4a,5,6,9,10,10a-octahydro-1H-phenanthren-1-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13.alpha.-(5'-methyl-1',3',4'-oxadiazol-2'-yl)-13,16-sec...",NA,"CC1=NN=C(O1)C2(CCC3C(C2CC#N)CCC4=CC(=O)CCC34C)C","KTHVYZXHUUBNJL-JOTVOLILSA-N",388021,NA,"PDBC16958","682446","Present",NA,NA
+"16959","2-[(1S,2S,4As,4bR,7S,10aR)-7-hydroxy-2,4b-dimethyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1,3,4,4a,5,6,7,8,10,10a-decahydrophenanthren-1-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.beta.-Hydroxy-13.alpha.-(5'-methyl-1',3',4'-oxadiazol-...",NA,"CC1=NN=C(O1)C2(CCC3C(C2CC#N)CC=C4C3(CCC(C4)O)C)C","MSUKZWYMQILIBD-QWSDNZPMSA-N",388020,NA,"PDBC16959","682445","Present",NA,NA
+"16960","2-[(1S,4E,9S,10S,11R,12S,14R)-14-Acetyloxy-10-hydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1S,4E,9S,10S,11R,12S,14R)-14-Acetyloxy-10-hydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoic acid",NA,"CC1CCCC(=CCCC2(C(CC(C(C1O)O2)C(=C)C(=O)O)OC(=O)C)C)C","YVRIFMKYDPCKLL-GMGHCVLVSA-N",5470112,NA,"PDBC16960","697733","Present",NA,NA
+"16961","2-[(1e)-3,3-Dimethyltriaz-1-en-1-yl]-5-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 2-(3,3-dimethyl-1-triazenyl)-5-nitro- (9CI)",NA,"CN(C)N=NC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N","JSIMNNUQUYWHET-UHFFFAOYSA-N",286093,NA,"PDBC16961","143908","Present",NA,NA
+"16962","2-[(2,17-Dimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethanol;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,17-Dimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethanol;hydroiodide",NA,"CC1=C2C=CC=C2C(=CC3=C1N(C4=CC=CC=C43)C)OCCO.I","YBFZCIUMOYBRKN-UHFFFAOYSA-N",400404,NA,"PDBC16962","711960","Present",NA,NA
+"16963","2-[(2,2,4,4-Tetraoxo-1,5,2,4-dioxadithiepan-3-yl)methyl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,2,4,4-Tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methyl]-1H-isoindole-1,3(2H)-dione",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)CN2C(=O)C3=CC=CC=C3C2=O","NMKBJGVPAPIQEU-UHFFFAOYSA-N",383372,NA,"PDBC16963","671536","Present",NA,NA
+"16964","2-[(2,2,4,4-Tetraoxo-1,5,2,4-dioxadithiepan-3-yl)methylcarbamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[(2,2,4,4-Tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methyl]carbamoyl}benzoic acid",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)CNC(=O)C2=CC=CC=C2C(=O)O","ZDDLMDFQFAKVED-UHFFFAOYSA-N",383373,NA,"PDBC16964","671537","Present",NA,NA
+"16965","2-[(2,3-Dihydroxyphenyl)-(4,4-dimethyl-2,6-dioxo-cyclohexyl)methyl]-5,5-dimethyl-cyclohexane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,3-Dihydroxyphenyl)-(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione",NA,"CC1(CC(=O)C(C(=O)C1)C(C2C(=O)CC(CC2=O)(C)C)C3=C(C(=CC=C3)O)O)C","MQECCVSOXCCXSI-UHFFFAOYSA-N",330812,NA,"PDBC16965","320209","Present",NA,NA
+"16966","2-[(2,4-Dichlorophenoxy)methyl]-5-[8-[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,4-dichlorophenoxy)methyl]-5-[8-[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole",NA,"C1=CC(=C(C=C1Cl)Cl)OCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)COC4=C(C=C(C=C4)Cl)Cl","UXZCMLAREIEKQS-UHFFFAOYSA-N",394041,NA,"PDBC16966","697159","Present",NA,NA
+"16967","2-[(2,4-Dichlorophenyl)-(imidazol-1-ylmethoxy)methyl]-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,4-Dichlorophenyl)-(imidazol-1-ylmethoxy)methyl]-1H-benzimidazole",NA,"C1=CC=C2C(=C1)NC(=N2)C(C3=C(C=C(C=C3)Cl)Cl)OCN4C=CN=C4","ZBWKROZHSABEDR-UHFFFAOYSA-N",387861,NA,"PDBC16967","682072","Present",NA,NA
+"16968","2-[(2,4-Dicyano-1h-imidazol-5-yl)carbamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,4-Dicyano-1h-imidazol-5-yl)carbamoyl]benzoic acid",NA,"C1=CC=C(C(=C1)C(=O)NC2=C(NC(=N2)C#N)C#N)C(=O)O","IAEVEMUKZQHNBD-UHFFFAOYSA-N",389108,NA,"PDBC16968","684793","Present",NA,NA
+"16969","2-[(2,4-Dimethoxypyrimidin-5-yl)methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,4-Dimethoxypyrimidin-5-yl)methylene]propanedinitrile",NA,"COC1=NC(=NC=C1C=C(C#N)C#N)OC","PDEKCYUBNQNKAO-UHFFFAOYSA-N",398629,NA,"PDBC16969","708596","Present",NA,NA
+"16970","2-[(2,4-Dioxo-1H-pyrimidin-5-yl)methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,4-Dioxo-1h-pyrimidin-5-yl)methylene]propanedinitrile",NA,"C1=C(C(=O)NC(=O)N1)C=C(C#N)C#N","KETXIFCFANKESU-UHFFFAOYSA-N",398628,NA,"PDBC16970","708595","Present",NA,NA
+"16971","2-[(2,4-Dioxo-3-propargyl-5-chloro-1,2,3,4-tetrahydropyrimidine)-1-yl]maleic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenedioic acid, 2-[5-chloro-2,4-dioxo-3-(2-propynyl)...",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)Cl","RSJAYDGPRDQPMW-DHZHZOJOSA-N",5470766,NA,"PDBC16971","704886","Present",NA,NA
+"16972","2-[(2,4-Dioxo-3-propargyl-5-iodo-1,2,3,4-tetrahydropyrimidine)-1-yl]fumaric acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-(5-iodo-2,4-dioxo-3-prop-2-ynylpyrimidin-1-yl)but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)I","FNLWEUUYSUQORI-FLIBITNWSA-N",5470764,NA,"PDBC16972","704884","Present",NA,NA
+"16973","2-[(2,4-Dioxo-3-propargyl-5-iodo-1,2,3,4-tetrahydropyrimidine)-1-yl]maleic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenedioic acid, 2-[5-iodo-2,4-dioxo-3-(2-propynyl)-1...",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)I","FNLWEUUYSUQORI-DHZHZOJOSA-N",5470765,NA,"PDBC16973","704885","Present",NA,NA
+"16974","2-[(2,4-Dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,4-Dioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)methoxy]ethyl acetate",NA,"CC(=O)OCCOCN1C2=C(CCC2)C(=O)NC1=O","ZBTXBLXGWOFXGV-UHFFFAOYSA-N",385449,NA,"PDBC16974","676687","Present",NA,NA
+"16975","2-[(2,5-Dimethoxyphenyl)-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-yl)methoxy]-N,N-diethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,5-Dimethoxyphenyl)-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-yl)methoxy]-N,N-diethylethanamine",NA,"CCN(CC)CCOC(C1=CC=C2N1C3=CC=CC=C3OC2)C4=C(C=CC(=C4)OC)OC","LWEQIHCJYLJSBS-UHFFFAOYSA-N",403778,NA,"PDBC16975","719251","Present",NA,NA
+"16976","2-[(2,6-Dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,"CC1=CN2C(=C(N=C2S1)C)CC3=C(C(=O)C(=C(C3=O)OC)OC)C","QYBTWCFMAJOPGY-UHFFFAOYSA-N",403954,NA,"PDBC16976","719720","Present",NA,NA
+"16977","2-[(2-Amino-6-chloropyrimidin-4-yl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC77427",NA,"C1=C(N=C(N=C1Cl)N)NCCO","HCFWGTJOPSZOLK-UHFFFAOYSA-N",235898,NA,"PDBC16977","77427","Present",NA,NA
+"16978","2-[(2-Amino-7H-purin-6-yl)sulfanyl]-1-(4-bromophenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-Amino-9H-purin-6-yl)thio)-1-(4-bromophenyl)ethanone",NA,"C1=CC(=CC=C1C(=O)CSC2=NC(=NC3=C2NC=N3)N)Br","QCIUQGMYQZLWQV-UHFFFAOYSA-N",3246139,NA,"PDBC16978","38733","Present",NA,NA
+"16979","2-[(2-Aminophenoxy)methyl]-5-phenylmethoxypyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Aminophenoxy)methyl]-5-(benzyloxy)-4h-pyran-4-one",NA,"C1=CC=C(C=C1)COC2=COC(=CC2=O)COC3=CC=CC=C3N","APGUQPPSDKAKAV-UHFFFAOYSA-N",404688,NA,"PDBC16979","721127","Present",NA,NA
+"16980","2-[(2-Aminophenyl)sulfanyl]benzenecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MS-2667",NA,"C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2N","RROSHIIMNNWHFW-UHFFFAOYSA-N",366233,NA,"PDBC16980","634569","Present",NA,NA
+"16981","2-[(2-Aminophenyl)sulfanylmethyl]-3-methoxy-xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Aminophenyl)sulfanylmethyl]-3-methoxy-xanthen-9-one",NA,"COC1=CC2=C(C=C1CSC3=CC=CC=C3N)C(=O)C4=CC=CC=C4O2","VMGAYMORJUGJIC-UHFFFAOYSA-N",330512,NA,"PDBC16981","319447","Present",NA,NA
+"16982","2-[(2-Bromo-3-methylbutanoyl)amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC163138",NA,"CC(C)C(C(=O)NCC(=O)O)Br","JDPOKKNSGDLJEF-UHFFFAOYSA-N",97928,NA,"PDBC16982","163138","Present",NA,NA
+"16983","2-[(2-Bromo-4-methylphenoxy)methyl]oxirane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Bromo-4-methylphenoxy)methyl]oxirane",NA,"CC1=CC(=C(C=C1)OCC2CO2)Br","DAQKAYNUNRPQFT-UHFFFAOYSA-N",334089,NA,"PDBC16983","338423","Present",NA,NA
+"16984","2-[(2-But-3-enyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-But-3-enyl-4-methoxyphenyl)methyl-methylamino]-2-methylpropan-1-ol",NA,"CC(C)(CO)N(C)CC1=C(C=C(C=C1)OC)CCC=C","BINFJPNIBPVUNR-UHFFFAOYSA-N",359339,NA,"PDBC16984","620125","Present",NA,NA
+"16985","2-[(2-Carboxy-3,5-dimethyl-phenyl)disulfanyl]-4,6-dimethyl-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Carboxy-3,5-dimethyl-phenyl)disulfanyl]-4,6-dimethyl-benzoic acid",NA,"CC1=CC(=C(C(=C1)SSC2=CC(=CC(=C2C(=O)O)C)C)C(=O)O)C","FHCLOEXCMXHLHW-UHFFFAOYSA-N",365535,NA,"PDBC16985","633232","Present",NA,NA
+"16986","2-[(2-Carboxy-4-methylphenyl)disulfanyl]-5-methylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Carboxy-4-methyl-phenyl)disulfanyl]-5-methyl-benzoic acid",NA,"CC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C)C(=O)O)C(=O)O","VKTJWKGPIVTERS-UHFFFAOYSA-N",365534,NA,"PDBC16986","633231","Present",NA,NA
+"16987","2-[(2-Carboxyethyl)amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_004288",NA,"C1=CC=C(C(=C1)C(=O)O)NCCC(=O)O","IMRIVMODOMQPRR-UHFFFAOYSA-N",266800,NA,"PDBC16987","105597","Present",NA,NA
+"16988","2-[(2-Chloro-4-nitrophenanthridin-6-yl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Chloro-4-nitrophenanthridin-6-yl)amino]ethanol",NA,"C1=CC=C2C(=C1)C3=C(C(=CC(=C3)Cl)[N+](=O)[O-])N=C2NCCO","VSWCCNDGUZELDO-UHFFFAOYSA-N",289037,NA,"PDBC16988","150432","Present",NA,NA
+"16989","2-[(2-Chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-chloro-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,"CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=C(N=C3N2C=C(S3)Cl)C4=CC=CC=C4","AMMQHJLNQBHIJM-UHFFFAOYSA-N",403958,NA,"PDBC16989","719724","Present",NA,NA
+"16990","2-[(2-Chlorobenzoyl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK164069",NA,"C1=CC=C(C(=C1)C(=O)N)NC(=O)C2=CC=CC=C2Cl","VORNVFBTYKBDHT-UHFFFAOYSA-N",295303,NA,"PDBC16990","164464","Present",NA,NA
+"16991","2-[(2-Chlorobenzoyl)carbamothioylamino]-5-ethylsulfanyl-1H-pyrrole-3,4-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3.4-dicarbamoyl-5-ethylthiopyrrol-2-yl)-N'-(2-chlorob...",NA,"CCSC1=C(C(=C(N1)NC(=S)NC(=O)C2=CC=CC=C2Cl)C(=O)N)C(=O)N","MVEGETBHIZMUSC-UHFFFAOYSA-N",3004911,NA,"PDBC16991","661169","Present",NA,NA
+"16992","2-[(2-Chlorobenzyl)thio]ethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-027070",NA,"C1=CC=C(C(=C1)CSCCN)Cl","CEOBXCFVZOZDFM-UHFFFAOYSA-N",234909,NA,"PDBC16992","35755","Present",NA,NA
+"16993","2-[(2-Chloroethylamino)methyl]-4-[3-[(2-chloroethylamino)methyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Chloroethylamino)methyl]-4-[3-[(2-chloroethylamino)methyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride",NA,"C=CCC1=C(C(=CC(=C1)C2=CC(=C(C(=C2)CNCCCl)O)CC=C)CNCCCl)O.Cl","REBFOGMUTJWTGN-UHFFFAOYSA-N",24183144,NA,"PDBC16993","24341","Present",NA,NA
+"16994","2-[(2-Chlorophenanthridin-6-yl)amino]butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-chloranylphenanthridin-6-yl)amino]butan-1-ol",NA,"CCC(CO)NC1=NC2=C(C=C(C=C2)Cl)C3=CC=CC=C31","SFWJGPYRSHHELS-UHFFFAOYSA-N",287384,NA,"PDBC16994","147358","Present",NA,NA
+"16995","2-[(2-Chlorophenyl)amino]-4-(2,4-dichlorobenzylidene)-1H-imidazole-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Chlorophenyl)amino]-4-(2,4-dichlorobenzylidene)-1H-imidazole-5(4H)-one",NA,"C1=CC=C(C(=C1)N=C2NC(=CC3=C(C=C(C=C3)Cl)Cl)C(=O)N2)Cl","JLSUZMDDMLEQEG-AUWJEWJLSA-N",135436262,NA,"PDBC16995","716495","Present",NA,NA
+"16996","2-[(2-Chlorophenyl)amino]-4-(2,6-dichlorobenzylidene)-1H-imidazole-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Chlorophenyl)amino]-4-(2,6-dichlorobenzylidene)-1H-imidazole-5(4H)-one",NA,"C1=CC=C(C(=C1)N=C2NC(=CC3=C(C=CC=C3Cl)Cl)C(=O)N2)Cl","RPZLDLZOANOWRT-ZSOIEALJSA-N",135436261,NA,"PDBC16996","716494","Present",NA,NA
+"16997","2-[(2-Chlorophenyl)methyl]-5-nitro-1H-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Chlorophenyl)methyl]-5-nitro-1H-indazol-3-one",NA,"C1=CC=C(C(=C1)CN2C(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-])Cl","LTIVKATZDMMDHZ-UHFFFAOYSA-N",438824,NA,"PDBC16997","675827","Present",NA,NA
+"16998","2-[(2-Fluorophenyl)azo]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Fluorophenyl)azo]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one",NA,"C1=CC=C2C(=C1)NC3=C(C(=C(C(=O)N23)N=NC4=CC=CC=C4F)O)C#N","CJOWPQVPMVYIOL-UHFFFAOYSA-N",135409209,NA,"PDBC16998","666276","Present",NA,NA
+"16999","2-[(2-Fluorophenyl)methyl]-1-methyl-5-nitro-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Fluorophenyl)methyl]-1-methyl-5-nitro-indazol-3-one",NA,"CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1CC3=CC=CC=C3F","HDIQTNBNWDYXAH-UHFFFAOYSA-N",386346,NA,"PDBC16999","678129","Present",NA,NA
+"17000","2-[(2-Fluorophenyl)methyl]-1H-benzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Fluorobenzyl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"C1=CC=C(C(=C1)CC2=NC3=C(N2)C(=O)C4=CC=CC=C4C3=O)F","PIDUVAFPMCGDFA-UHFFFAOYSA-N",371180,NA,"PDBC17000","645212","Present",NA,NA
+"17001","2-[(2-Hydroxy-5-methyl-phenyl)-(2-hydroxy-5-nitro-phenyl)methyl]-4-methyl-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Hydroxy-5-methyl-phenyl)-(2-hydroxy-5-nitro-phenyl)methyl]-4-methyl-phenol",NA,"CC1=CC(=C(C=C1)O)C(C2=C(C=CC(=C2)C)O)C3=C(C=CC(=C3)[N+](=O)[O-])O","CXFLPJFRXKVYSF-UHFFFAOYSA-N",389722,NA,"PDBC17001","686314","Present",NA,NA
+"17002","2-[(2-Hydroxy-5-methyl-phenyl)-(4-nitrophenyl)methyl]-4-methyl-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Hydroxy-5-methyl-phenyl)-(4-nitrophenyl)methyl]-4-methyl-phenol",NA,"CC1=CC(=C(C=C1)O)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=CC(=C3)C)O","CZNHQZPCHAREFL-UHFFFAOYSA-N",389721,NA,"PDBC17002","686313","Present",NA,NA
+"17003","2-[(2-Hydroxynaphthalen-1-yl)amino]-4-methylpentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Hydroxynaphthalen-1-yl)amino]-4-methylpentanoic acid",NA,"CC(C)CC(C(=O)O)NC1=C(C=CC2=CC=CC=C21)O","RBPGXFHOIUGOGZ-UHFFFAOYSA-N",279422,NA,"PDBC17003","129925","Present",NA,NA
+"17004","2-[(2-Hydroxynaphthalen-1-yl)diazenyl]fluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Hydroxynaphthalen-1-yl)diazenyl]fluoren-9-one",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=C3)C5=CC=CC=C5C4=O)O","MKQOYENIVZCGJP-UHFFFAOYSA-N",408282,NA,"PDBC17004","12405","Present",NA,NA
+"17005","2-[(2-Imino-3H-thiazol-5-yl)sulfanyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Imino-3H-thiazol-5-yl)sulfanyl]benzoic acid",NA,"C1=CC=C(C(=C1)C(=O)O)SC2=CN=C(S2)N","NLEZXFVPRPSTOE-UHFFFAOYSA-N",391253,NA,"PDBC17005","690150","Present",NA,NA
+"17006","2-[(2-Methoxy-6-nitroacridin-9-yl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Methoxy-6-nitroacridin-9-yl)amino]ethanol",NA,"COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NCCO","SRRFTJXVLGVGBA-UHFFFAOYSA-N",384256,NA,"PDBC17006","673802","Present",NA,NA
+"17007","2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethyl imidazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethyl imidazole-1-carboxylate",NA,"CC1=C2C=CC=C2C(=CC3=C1NC4=CC=CC=C43)OCCOC(=O)N5C=CN=C5","PYPCCZJSFSVNLG-UHFFFAOYSA-N",401131,NA,"PDBC17007","714068","Present",NA,NA
+"17008","2-[(2-Nitrophenyl)amino]-3-cyanothiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM186792858",NA,"C1=CC=C(C(=C1)NC2=C(C=CS2)C#N)[N+](=O)[O-]","BGBMKHNXWAGHQD-UHFFFAOYSA-N",395461,NA,"PDBC17008","700024","Present",NA,NA
+"17009","2-[(2-Oxo-2-phenylethyl)sulfanyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_047409",NA,"C1=CC=C(C=C1)C(=O)CSCC(=O)O","NNNVHZPLMZHPBQ-UHFFFAOYSA-N",290218,NA,"PDBC17009","153308","Present",NA,NA
+"17010","2-[(2-Oxo-3,7-dihydropurin-6-yl)sulfanyl]-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Oxo-3,7-dihydropurin-6-yl)sulfanyl]-N-phenylacetamide",NA,"C1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NC3=C2NC=N3","JMYMHRKIRMZJLE-UHFFFAOYSA-N",403032,NA,"PDBC17010","717505","Present",NA,NA
+"17011","2-[(2-Oxo-4-thioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Oxo-4-thioxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl)methoxy]ethyl acetate",NA,"CC(=O)OCCOCN1C2=C(CCC2)C(=S)NC1=O","FRBXUAVLUJTMMP-UHFFFAOYSA-N",3005138,NA,"PDBC17011","676688","Present",NA,NA
+"17012","2-[(2-Phenyl-1H-indol-3-yl)methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-phenyl-1H-indol-3-yl)methylene]malononitrile",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)C#N","BGMDXKBEYJSRHO-UHFFFAOYSA-N",809566,NA,"PDBC17012","746685","Present",NA,NA
+"17013","2-[(2-Thiazolyl)amino]ethyl-3,6-trichlorohydroquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-thiazolyl)amino]ethyl-3,5,6-trichlorohydroquinone",NA,"C1=CSC(=N1)NCCC2=C(C(=C(C(=C2Cl)O)Cl)Cl)O","GRAQIRKMUUFLSU-UHFFFAOYSA-N",406195,NA,"PDBC17013","724208","Present",NA,NA
+"17014","2-[(2-Thioxo-3H-benzimidazol-1-yl)methylene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Thioxo-3H-benzimidazol-1-yl)methylene]propanedinitrile",NA,"C1=CC=C2C(=C1)NC(=S)N2C=C(C#N)C#N","FYCHLSWUTQVZLK-UHFFFAOYSA-N",3004562,NA,"PDBC17014","658344","Present",NA,NA
+"17015","2-[(2E)-2-(2-{[(6-Ethoxy-1,3-benzothiazol-2-yl)amino]carbonyl}-7-hydroxy-4H-chromen-4-ylidene)hydrazino]-N,N,N-trimethyl-2-oxoethanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2E)-2-[2-[(6-Ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-7-hydroxychromen-4-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=NNC(=O)C[N+](C)(C)C)C4=C(O3)C=C(C=C4)O.[Cl-]","KFXAXWGKQHRZLV-UHFFFAOYSA-N",135483956,NA,"PDBC17015","642054","Present",NA,NA
+"17016","2-[(2E)-2-(Dimethylhydrazono)-4,6,6-trimethyl-cyclohex-3-en-1-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2E)-2-(Dimethylhydrazono)-4,6,6-trimethyl-cyclohex-3-en-1-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol",NA,"CC1=CC(=NN(C)C)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O","MGDUYPZRGRNIPL-ZVBGSRNCSA-N",9571443,NA,"PDBC17016","663997","Present",NA,NA
+"17017","2-[(2E)-2-Benzylidenehydrazinyl]-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2E)-2-Benzylidenehydrazinyl]-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidine-5-carbonitrile",NA,"CN1C(=O)C(=C(N=C1NN=CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N","HYCQEKLJURPIJZ-CIAFOILYSA-N",9572610,NA,"PDBC17017","722325","Present",NA,NA
+"17018","2-[(2E)-2-Benzylidenehydrazinyl]-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2E)-2-Benzylidenehydrazinyl]-5-[(Z)-indol-3-ylidenemethyl]-1H-imidazol-4-ol",NA,"C1=CC=C(C=C1)C=NNC2=NC(=C(N2)C=C3C=NC4=CC=CC=C43)O","CRBAGGBMCDLYGV-PWWZPONFSA-N",135505204,NA,"PDBC17018","704855","Present",NA,NA
+"17019","2-[(2E)-2-[(4-Dimethylaminophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylamino)benzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone",NA,"CN(C)C1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4","ABJMLCCVOGYIJW-LFVJCYFKSA-N",9571456,NA,"PDBC17019","666362","Present",NA,NA
+"17020","2-[(2E)-2-[(4-Methoxyphenyl)methylidene]hydrazinyl]-4-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2E)-2-[(4-Methoxyphenyl)methylidene]hydrazinyl]-4-methyl-6,11-dihydropyrimido[4,5-b][1,5]benzodiazepin-5-one",NA,"CC1=C2C(=NC(=N1)NN=CC3=CC=C(C=C3)OC)NC4=CC=CC=C4NC2=O","FUFDNUOHJCIJNF-SRZZPIQSSA-N",9571771,NA,"PDBC17020","648203","Present",NA,NA
+"17021","2-[(2E)-2-[(4-Nitrophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2E)-2-[(4-Nitrophenyl)methylene]hydrazino]-3-phenyl-quinazolin-4-one",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NN=CC4=CC=C(C=C4)[N+](=O)[O-]","GSYLIBKONXYFGQ-HYARGMPZSA-N",9571453,NA,"PDBC17021","666355","Present",NA,NA
+"17022","2-[(2E)-2-[(5-Bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2E)-2-[(5-Bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one",NA,"CC1=CC(=O)NC(=N1)NN=CC2=C(C=CC(=C2)Br)O","FUEYAMPVHZVECP-MKMNVTDBSA-N",135458781,NA,"PDBC17022","97960","Present",NA,NA
+"17023","2-[(2E)-2-[[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methylene]hydrazino]allyl-trimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2E)-2-[[4,5-Bis(3,4-dimethoxyphenyl)-3-nitrofuran-2-yl]methylidene]hydrazinyl]prop-2-enyl-trimethylazanium;chloride",NA,"C[N+](C)(C)CC(=C)NN=CC1=C(C(=C(O1)C2=CC(=C(C=C2)OC)OC)C3=CC(=C(C=C3)OC)OC)[N+](=O)[O-].[Cl-]","GHCHRNKZPGRXRX-JVIVJJPTSA-M",9555890,NA,"PDBC17023","647260","Present",NA,NA
+"17024","2-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-1-isopropylidene-4-methyl-cyclohexane; 1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-methyl-ethyl]-4-methyl-cyclohexene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2E)-3,7-Dimethylocta-2,6-dienoxy]-4-methyl-1-propan-2-ylidenecyclohexane;1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]propan-2-yl]-4-methylcyclohexene",NA,"CC1CCC(=CC1)C(C)(C)OCC=C(C)CCC=C(C)C.CC1CCC(=C(C)C)C(C1)OCC=C(C)CCC=C(C)C","AIKDUJTUBBMUDW-OYGNFUGKSA-N",5467750,NA,"PDBC17024","658702","Present",NA,NA
+"17025","2-[(2E,6E,10E,14Z,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2E,6E,10E,14Z,18E,22E,26E)-3,7,11,15,19,23,27,31-Octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,4-diol",NA,"CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)O)O)C)C)C)C)C)C)C)C","RFUXBANISHMTPU-YKVBXYFXSA-N",5470495,NA,"PDBC17025","702326","Present",NA,NA
+"17026","2-[(2E,6E,10E,14Z,18Z,22E,26E)-19-(Hydroxymethyl)-3,7,11,15,23,27,31-heptamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene-1,4-diol, 2-[19-(hydroxymethyl)-3,7,11,15,23,27,...",NA,"CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1)O)O)C)C)C)C)CO)C)C)C","XLDYHBQVTLATGU-JAQZSTLASA-N",5470496,NA,"PDBC17026","702327","Present",NA,NA
+"17027","2-[(2R,6S,14S)-11,15-Dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2R,6S,14S)-11,15-Dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-16-yl]-3,3-dimethylbutan-2-ol",NA,"CC(C)(C)C(C)(C1CC23CCC1(C4C25CCNC3CC6=C5C(=C(C=C6)OC)O4)OC)O","GUFHEIAUPRGDNQ-TVOSJGBMSA-N",6712749,NA,"PDBC17027","708961","Present",NA,NA
+"17028","2-[(2R,6S,14S)-5-(2-Aminoethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2R,6S,14S)-5-(2-Aminoethyl)-11,15-dimethoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol",NA,"CCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)CCN)OC)O","FPDPXKLLTMUGLJ-FQVGRBKKSA-N",6712750,NA,"PDBC17028","708962","Present",NA,NA
+"17029","2-[(2S,14R,15S,16R)-11,15-Dimethoxy-5,14-dimethyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-4,5.alpha.-Epoxy-3,6-dimethoxy-.alpha.,.alpha.,5,N- ...",NA,"CC12C34CCN(C(C35CC(C1(C=C5)OC)C(C)(C)O)CC6=C4C(=C(C=C6)OC)O2)C","YXOXUJMHKADYOS-YVSYQHMASA-N",6711549,NA,"PDBC17029","630763","Present",NA,NA
+"17030","2-[(2S,4R)-5,5-Dimethyl-4-phenyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2S,4R)-5,5-Dimethyl-4-phenyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinan-2-yl]pyridine",NA,"CC1(COP(=S)(OC1C2=CC=CC=C2)C3=CC=CC=N3)C","PFWNRRXWRSEWGF-QRWLVFNGSA-N",9572298,NA,"PDBC17030","710454","Present",NA,NA
+"17031","2-[(2S,4S)-4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2S,4S)-4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]acetonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4(CC(OC4=O)CC#N)O","PCCOPHVIKANNGU-BTYIYWSLSA-N",24936179,NA,"PDBC17031","743898","Present",NA,NA
+"17032","2-[(2S,6R,14R)-11,15-Dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2S,6R,14R)-11,15-Dimethoxy-5-methyl-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11,18-tetraen-16-yl]pentan-2-ol",NA,"CCCC(C)(C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC)O","LOOHQOHHYOAWOS-AIPYYZPVSA-N",6712730,NA,"PDBC17032","707488","Present",NA,NA
+"17033","2-[(2Z)-1,1-Dioxo-2-[(2E,4E,6E)-7-(5-piperidin-1-ylthiophen-2-yl)hepta-2,4,6-trienylidene]-1-benzothiophen-3-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2Z)-1,1-Dioxo-2-[(2E,4E,6E)-7-(5-piperidin-1-ylthiophen-2-yl)hepta-2,4,6-trienylidene]-1-benzothiophen-3-ylidene]propanedinitrile",NA,"C1CCN(CC1)C2=CC=C(S2)C=CC=CC=CC=C3C(=C(C#N)C#N)C4=CC=CC=C4S3(=O)=O","WLKSVWUJMMVACP-FZIUFXEMSA-N",5471042,NA,"PDBC17033","707783","Present",NA,NA
+"17034","2-[(2Z)-2-(2,3,4,5-Tetrahydroxypentylidene)hydrazinyl]-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691092///NSC691099",NA,"C1=CC=C2C(=C1)C(=O)NC(=N2)NN=CC(C(C(CO)O)O)O","UTIVVZUTKDIEAQ-RZNTYIFUSA-N",135505149,NA,"PDBC17034","691092///691099","Present",NA,NA
+"17035","2-[(2Z)-2-Phenacylidene-1,4-benzothiazin-3-yl]-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2Z)-2-Phenacylidene-1,4-benzothiazin-3-yl]-1-phenylethanone",NA,"C1=CC=C(C=C1)C(=O)CC2=NC3=CC=CC=C3SC2=CC(=O)C4=CC=CC=C4","ZCWVVNMCDXMIKN-JLPGSUDCSA-N",5472606,NA,"PDBC17035","720429","Present",NA,NA
+"17036","2-[(3,4,5-Trimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3,4,5-(trimethoxy)anilino]-3-phenyl-5,7-diammino quin...",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","GICRJTKAQVGUGG-UHFFFAOYSA-N",404585,NA,"PDBC17036","720934","Present",NA,NA
+"17037","2-[(3,4-Dichloro-phenyl)amino]-3-phenyl-5,7-diaminoquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3,4-dicloro)anilino]-3-phenyl-5,7-diamino quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NC4=CC(=C(C=C4)Cl)Cl)N)N","BJJFDFPYWNZIKB-UHFFFAOYSA-N",24203444,NA,"PDBC17037","728037","Present",NA,NA
+"17038","2-[(3,4-Dichlorophenyl)methyl]-1H-benzo[f]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-dichloro-benzyl)-1H-naphth[2,3-d]imidazole",NA,"C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CC4=CC(=C(C=C4)Cl)Cl","ZPZKXVCABZIJGD-UHFFFAOYSA-N",405627,NA,"PDBC17038","722997","Present",NA,NA
+"17039","2-[(3,4-Dimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3,4-dimethoxy)anilino]-3-phenyl-5,7-diaminoquinoxaline",NA,"COC1=C(C=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","AMDGRINHHRBMDZ-UHFFFAOYSA-N",406624,NA,"PDBC17039","724864","Present",NA,NA
+"17040","2-[(3,4-Dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-2-phenylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3,4-Dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-yl)oxy](phenyl)acetonitrile",NA,"CC1C(OP(=O)(N1C)OC(C#N)C2=CC=CC=C2)C3=CC=CC=C3","GYRYPIPDIMXQEW-UHFFFAOYSA-N",400228,NA,"PDBC17040","711746","Present",NA,NA
+"17041","2-[(3,4-Dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-2-phenylhexanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3,4-Dimethyl-2-oxido-5-phenyl-1,3,2-oxazaphospholidin-2-yl)oxy]-2-phenylhexanenitrile",NA,"CCCCC(C#N)(C1=CC=CC=C1)OP2(=O)N(C(C(O2)C3=CC=CC=C3)C)C","RFRXJCCNBXBDKH-UHFFFAOYSA-N",400234,NA,"PDBC17041","711752","Present",NA,NA
+"17042","2-[(3,4-Dimethylphenyl)carbamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethylphenylcarbamoyl)benzoic acid",NA,"CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O)C","DBKSCNINEZDXAU-UHFFFAOYSA-N",295107,NA,"PDBC17042","164263","Present",NA,NA
+"17043","2-[(3,5-Dibromo-2-ethoxyphenyl)methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedinitrile, [(3,5-dibromo-2-ethoxyphenyl)methylene]-",NA,"CCOC1=C(C=C(C=C1Br)Br)C=C(C#N)C#N","STZBTXRTNMNVGJ-UHFFFAOYSA-N",295572,NA,"PDBC17043","164970","Present",NA,NA
+"17044","2-[(3,5-Dimethoxy-phenyl)amino]-3-phenyl-5,7-diamino-quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3,5-(dimethoxy)anilino]-3-phenyl-5,7-diammino quinoxa...",NA,"COC1=CC(=CC(=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","AFBYNDQCDGJGBD-UHFFFAOYSA-N",405140,NA,"PDBC17044","722177","Present",NA,NA
+"17045","2-[(3,5-Dimethoxybenzoyl)amino]-3-(ethylamino)-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3,5-Dimethoxybenzoyl)amino]-3-(ethylamino)-1,4-naphthoquinone",NA,"CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC(=CC(=C3)OC)OC","FYBLJZWDOQWAOU-UHFFFAOYSA-N",377408,NA,"PDBC17045","658851","Present",NA,NA
+"17046","2-[(3,5-Dimethoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3,5-Dimethoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone",NA,"COC1=CC(=CC(=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)OC","VOXQMBVJNHOSCK-UHFFFAOYSA-N",377407,NA,"PDBC17046","658850","Present",NA,NA
+"17047","2-[(3,5-Ditert-butyl-4-hydroxyphenyl)methyl]indene-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Di-tert-butyl-4-hydroxybenzyl)-1h-indene-1,3(2h)-dione",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CC2C(=O)C3=CC=CC=C3C2=O","UANSDJOURCHRJR-UHFFFAOYSA-N",403663,NA,"PDBC17047","718731","Present",NA,NA
+"17048","2-[(3,5-Ditert-butyl-4-methoxyphenyl)methyl]cyclopent-4-ene-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Di-tert-butyl-4-methoxybenzyl)cyclopent-4-ene-1,3-dione",NA,"CC(C)(C)C1=CC(=CC(=C1OC)C(C)(C)C)CC2C(=O)C=CC2=O","UGAMDWXUVRANHN-UHFFFAOYSA-N",403662,NA,"PDBC17048","718730","Present",NA,NA
+"17049","2-[(3,7-Diaminoquinoxali ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3,4-dimethoxy)benzylamino]-3-phenyl-5,7-diaminoquino...",NA,"COC1=C(C=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","KVKUTCBECKBIPV-UHFFFAOYSA-N",406625,NA,"PDBC17049","724865","Present",NA,NA
+"17050","2-[(3-Benzoyl-2-sulfanylideneimidazolidin-1-yl)methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-Benzoyl-2-sulfanylideneimidazolidin-1-yl)methylidene]propanedinitrile",NA,"C1CN(C(=S)N1C=C(C#N)C#N)C(=O)C2=CC=CC=C2","XGOZXIBAXJYORL-UHFFFAOYSA-N",24203785,NA,"PDBC17050","729517","Present",NA,NA
+"17051","2-[(3-Bromo-9-oxofluoren-2-yl)carbamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-bromo-9-oxo-9H-fluoren-2-ylcarbamoyl) benzoic acid",NA,"C1=CC=C2C(=C1)C3=CC(=C(C=C3C2=O)NC(=O)C4=CC=CC=C4C(=O)O)Br","PCTWMIAAJZTNHU-UHFFFAOYSA-N",245114,NA,"PDBC17051","56681","Present",NA,NA
+"17052","2-[(3-Chloro-4-fluoroanilino)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-Chloro-4-fluoroanilino)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-1,2,4-triazole-3-thione",NA,"CC1=NN(C(=S)N1N=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)CNC4=CC(=C(C=C4)F)Cl","LRVMMGGOHGFILZ-YPXUMCKCSA-N",9572360,NA,"PDBC17052","713290","Present",NA,NA
+"17053","2-[(3-Chloro-4-fluoroanilino)methyl]-5-[(2-chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-Chloro-4-fluoroanilino)methyl]-5-[(2-chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione",NA,"C1=CC=C(C(=C1)OCC2=NN(C(=S)N2N=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)CNC5=CC(=C(C=C5)F)Cl)Cl","RGKLCPVSHVWOHW-RPUDKEGQSA-N",9572362,NA,"PDBC17053","713292","Present",NA,NA
+"17054","2-[(3-Chlorophenyl)amino]-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-Chlorophenyl)amino]-N-{4-[(1,3-thiazol-2-ylamino)sulfonyl]phenyl}nicotinamide",NA,"C1=CC(=CC(=C1)Cl)NC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4","VTRIFQNGOSSROZ-UHFFFAOYSA-N",359493,NA,"PDBC17054","620471","Present",NA,NA
+"17055","2-[(3-Cyano-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinolin-2-yl)disulfanyl]-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinolin-2-yl)disulfanyl]-7,7-dimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile",NA,"CC1(CC2=C(C(C(=C(N2)SSC3=C(C(C4=C(N3)CC(CC4=O)(C)C)C5=CC=CC=C5)C#N)C#N)C6=CC=CC=C6)C(=O)C1)C","ITPHRFCCQSMNNU-UHFFFAOYSA-N",380526,NA,"PDBC17055","666139","Present",NA,NA
+"17056","2-[(3-Cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)disulfanyl]-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-cyano-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinolin-2-yl)disulfanyl]-7,7-dimethyl-5-oxo-4-phenyl-6,8-dihydroquinoline-3-carbonitrile",NA,"CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SSC3=NC4=C(C(=O)CC(C4)(C)C)C(=C3C#N)C5=CC=CC=C5)C#N)C6=CC=CC=C6)C","QBOZNGPQYPLNLB-UHFFFAOYSA-N",378726,NA,"PDBC17056","661828","Present",NA,NA
+"17057","2-[(3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]-N'-[(2Z)-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(Z)-[3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]amino]acetamide",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=C3N(C(=O)CS3)C4=CC=C(C=C4)C","OMGWUXFTIKGWRY-LVWGJNHUSA-N",9572030,NA,"PDBC17057","691528","Present",NA,NA
+"17058","2-[(3-Ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]-N'-[(2Z)-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(Z)-(3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]acetamide",NA,"CCN1C(=O)CSC1=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC","LDGDQPROPJYGPC-JZJYNLBNSA-N",9572028,NA,"PDBC17058","691526","Present",NA,NA
+"17059","2-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid",NA,"CCC1=NNC(=O)N1NC(=O)C2=CC=CC=C2C(=O)O","LHESCLQDNZTGBT-UHFFFAOYSA-N",390143,NA,"PDBC17059","687211","Present",NA,NA
+"17060","2-[(3-Fluorophenyl)carbamothioylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[N-(3-Fluorophenyldithiocarbamoyl)]-propanoic acid",NA,"CC(C(=O)O)SC(=S)NC1=CC(=CC=C1)F","YZVPUJSZOQRGAV-UHFFFAOYSA-N",3004115,NA,"PDBC17060","629298","Present",NA,NA
+"17061","2-[(3-Formylindol-1-yl)methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-Formylindol-1-yl)methoxy]ethyl acetate",NA,"CC(=O)OCCOCN1C=C(C2=CC=CC=C21)C=O","SDZRCHRYIAOYSO-UHFFFAOYSA-N",400151,NA,"PDBC17061","711646","Present",NA,NA
+"17062","2-[(3-Hydroxypiperidin-1-yl)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-Hydroxypiperidin-1-yl)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one",NA,"CC1=CN2C(=NC(=CC2=O)CN3CCCC(C3)O)C=C1","UKWHHNKISXDEJY-UHFFFAOYSA-N",390352,NA,"PDBC17062","687688","Present",NA,NA
+"17063","2-[(3-Methoxyphenyl)methyl]-7-methyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-Methoxyphenyl)methyl]-7-methyl-1H-1,8-naphthyridin-4-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)CC3=CC(=CC=C3)OC","MLIRWYVKLYZVEM-UHFFFAOYSA-N",397847,NA,"PDBC17063","706460","Present",NA,NA
+"17064","2-[(3-Methoxyphenyl)methylsulfanyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-801/41077507",NA,"COC1=CC=CC(=C1)CSCC(=O)O","QMFCNAYBAHKUKR-UHFFFAOYSA-N",323071,NA,"PDBC17064","281803","Present",NA,NA
+"17065","2-[(3-Nitro-2-pyridyl)thio]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_004963",NA,"C1=CC(=C(N=C1)SCC(=O)O)[N+](=O)[O-]","WBPUHBNGHSAAGT-UHFFFAOYSA-N",265630,NA,"PDBC17065","101844","Present",NA,NA
+"17066","2-[(3-Phenoxyphenyl)methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".meta.-Phenoxybenzylidene-malononitrile",NA,"C1=CC=C(C=C1)OC2=CC=CC(=C2)C=C(C#N)C#N","ZCCNLVKFRGRFFQ-UHFFFAOYSA-N",370257,NA,"PDBC17066","643031","Present",NA,NA
+"17067","2-[(3-Trifluoromethyl-2-pyridinyl)thio]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3-Trifluoromethyl-2-pyridinyl)thio]benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)SC3=C(C=CC=N3)C(F)(F)F","ZHZQQNCMAAAFDU-UHFFFAOYSA-N",391103,NA,"PDBC17067","689721","Present",NA,NA
+"17068","2-[(3As,4R,6S,6aR)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N-[12-[[2-[(3aR,4S,6R,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethanethioyl]amino]dodecyl]ethanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3As,4R,6S,6aR)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]-N-[12-[[2-[(3aR,4S,6R,6aS)-4-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a",NA,"CC1(OCC(O1)C2C3C(C(O2)CC(=S)NCCCCCCCCCCCCNC(=S)CC4C5C(C(O4)C6COC(O6)(C)C)OC(O5)(C)C)OC(O3)(C)C)C","RCXMHQFWYZEXDP-UCZRPRODSA-N",5471742,NA,"PDBC17068","713557","Present",NA,NA
+"17069","2-[(3E)-3-(3-Phenylpropoxyimino)butyl]-1H-pyridazine-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3E)-3-(3-Phenylpropoxyimino)butyl]-1H-pyridazine-3,6-dione",NA,"CC(=NOCCCC1=CC=CC=C1)CCN2C(=O)C=CC(=O)N2","IIFDMSGXBAMJGH-XMHGGMMESA-N",5937480,NA,"PDBC17069","633921","Present",NA,NA
+"17070","2-[(3E)-3-[(2,4-Dinitrophenyl)hydrazono]butyl]-1H-pyridazine-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3E)-3-[(2,4-Dinitrophenyl)hydrazono]butyl]-1H-pyridazine-3,6-dione",NA,"CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCN2C(=O)C=CC(=O)N2","BIPFPNMXWSKNLN-OQLLNIDSSA-N",9570027,NA,"PDBC17070","633923","Present",NA,NA
+"17071","2-[(3S)-5-Hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648362///NSC648363",NA,"CC(C)(C)OC(=O)NC1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)O","SKZGYTUEMKZBPM-AMGKYWFPSA-N",372748,NA,"PDBC17071","648362///648363","Present",NA,NA
+"17072","2-[(3Z,9Z)-12-(2-Aminophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3Z,9Z)-12-(2-Aminophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC#CC=CC#CC2=CC=CC=C2N)N","FAKSDBCCQYESPK-SFECMWDFSA-N",24205315,NA,"PDBC17072","735004","Present",NA,NA
+"17073","2-[(3Z,9Z)-12-(2-Cyanophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3Z,9Z)-12-(2-Cyanophenyl)dodeca-3,9-dien-1,5,7,11-tetraynyl]benzonitrile",NA,"C1=CC=C(C(=C1)C#CC=CC#CC#CC=CC#CC2=CC=CC=C2C#N)C#N","CEFMGRGJIKKDLF-SFECMWDFSA-N",24202651,NA,"PDBC17073","725625","Present",NA,NA
+"17074","2-[(4,5-Dibromo-2-methyl-imidazol-1-yl)methyl]-6-methoxy-tetrahydropyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4,5-Dibromo-2-methyl-imidazol-1-yl)methyl]-6-methoxy-tetrahydropyran-3,4,5-triol",NA,"CC1=NC(=C(N1CC2C(C(C(C(O2)OC)O)O)O)Br)Br","UYDAUFQWXCMYGP-UHFFFAOYSA-N",394935,NA,"PDBC17074","699035","Present",NA,NA
+"17075","2-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3-(2-thienyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonylamino]-3-(2-thienyl)propanoic acid",NA,"COC1=C(C=C(C(=C1)COC(=O)NC(CC2=CC=CS2)C(=O)O)[N+](=O)[O-])OC","SXTNDAGZLZBIMS-UHFFFAOYSA-N",375627,NA,"PDBC17075","655449","Present",NA,NA
+"17076","2-[(4,5-Dimethyl-1,3-thiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4,5-Dimethyl-1,3-thiazol-2-yl)sulfanyl]-6-nitro-1,3-benzothiazole",NA,"CC1=C(SC(=N1)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])C","YRFSZCNINKEDKL-UHFFFAOYSA-N",351151,NA,"PDBC17076","519153","Present",NA,NA
+"17077","2-[(4,6-Dioxo-2-thioxo-hexahydropyrimidin-1-yl)methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4,6-Dioxo-2-thioxo-hexahydropyrimidin-1-yl)methylene]propanediamide",NA,"C1C(=O)NC(=S)N(C1=O)C=C(C(=O)N)C(=O)N","JWQBZKADKHYCKH-UHFFFAOYSA-N",3004535,NA,"PDBC17077","658308","Present",NA,NA
+"17078","2-[(4-Amino-6-morpholin-4-yl-1,5-triazin-2-yl)-2-{[4-dimet hylamino)phenyl]imino}-acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)-2-{[4-d...",NA,"CN(C)C1=CC=C(C=C1)N=C(C#N)C2=NC(=NC(=N2)N3CCOCC3)N","TYAYPNFNVBUDGM-UHFFFAOYSA-N",11681864,NA,"PDBC17078","729112","Present",NA,NA
+"17079","2-[(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]propane-1,3-diol",NA,"C1=CN(C2=NC=NC(=C21)N)COC(CO)CO","DXQULPQYDXUEBM-UHFFFAOYSA-N",395243,NA,"PDBC17079","699719","Present",NA,NA
+"17080","2-[(4-Bromophenyl)diazenyl]propan-2-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Bromophenyl)diazenyl]propan-2-yl acetate",NA,"CC(=O)OC(C)(C)N=NC1=CC=C(C=C1)Br","DZWBCPXUHPHPJR-UHFFFAOYSA-N",243545,NA,"PDBC17080","53454","Present",NA,NA
+"17081","2-[(4-Carboxyphenyl)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Carboxyphenyl)methyl]benzoic acid",NA,"C1=CC=C(C(=C1)CC2=CC=C(C=C2)C(=O)O)C(=O)O","SXJJRDVGHKSPCS-UHFFFAOYSA-N",235577,NA,"PDBC17081","37133","Present",NA,NA
+"17082","2-[(4-Chlorobenzoyl)amino]-3-(4-iodophenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Chlorobenzoyl)amino]-3-(4-iodophenyl)propanoic acid",NA,"C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)Cl)I","ZXOATKGVRNNONJ-UHFFFAOYSA-N",336956,NA,"PDBC17082","353285","Present",NA,NA
+"17083","2-[(4-Chlorobenzyl)sulfanyl]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_002205",NA,"C1=CC(=CC=C1CSC2=NC=CC(=O)N2)Cl","RVTXPYQZDUOGRG-UHFFFAOYSA-N",241183,NA,"PDBC17083","48405","Present",NA,NA
+"17084","2-[(4-Chlorophenoxy)methyl]-5-[8-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-chlorophenoxy)methyl]-5-[8-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole",NA,"C1=CC(=CC=C1OCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)COC4=CC=C(C=C4)Cl)Cl","NTIBDBJUJUEXAM-UHFFFAOYSA-N",394037,NA,"PDBC17084","697155","Present",NA,NA
+"17085","2-[(4-Chlorophenyl)azo]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Chlorophenyl)azo]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one",NA,"C1=CC=C2C(=C1)NC3=C(C(=C(C(=O)N23)N=NC4=CC=C(C=C4)Cl)O)C#N","QPGDHGWQNUYTRD-UHFFFAOYSA-N",135409144,NA,"PDBC17085","659489","Present",NA,NA
+"17086","2-[(4-Chlorophenyl)iminomethyl]-4-[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]sulfonylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Chlorophenyl)iminomethyl]-4-[3-[(4-chlorophenyl)iminomethyl]-4-hydroxyphenyl]sulfonylphenol",NA,"C1=CC(=CC=C1N=CC2=C(C=CC(=C2)S(=O)(=O)C3=CC(=C(C=C3)O)C=NC4=CC=C(C=C4)Cl)O)Cl","DSCJMECELJCOKD-UHFFFAOYSA-N",359096,NA,"PDBC17086","619672","Present",NA,NA
+"17087","2-[(4-Chlorophenyl)methyl]-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorobenzyl)-1,3-benzoxazole",NA,"C1=CC=C2C(=C1)N=C(O2)CC3=CC=C(C=C3)Cl","VMQKODHMSRWEMH-UHFFFAOYSA-N",401566,NA,"PDBC17087","715261","Present",NA,NA
+"17088","2-[(4-Chlorophenyl)methylamino]-N-[[1-[(3-phenoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-chlorobenzylamino)-N-((1-(3-phenoxybenzyl)-1H-1,2,3...",NA,"C1=CC=C(C=C1)OC2=CC=CC(=C2)CN3C=C(N=N3)CNC(=O)C4=C(N=CC=C4)NCC5=CC=C(C=C5)Cl","HCPRFPUYUYZSIA-UHFFFAOYSA-N",90681062,NA,"PDBC17088","761813","Present",NA,NA
+"17089","2-[(4-Chlorophenyl)methylsulfanyl]-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Chlorophenyl)methylsulfanyl]-1-(3,4-dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazole",NA,"COC1=C(C=C(C=C1)N2C=C(N=C2SCC3=CC=C(C=C3)Cl)C4=CC(=C(C(=C4)OC)OC)OC)OC","INXWBWIIVZTPIA-UHFFFAOYSA-N",45027968,NA,"PDBC17089","740359","Present",NA,NA
+"17090","2-[(4-Dimethoxyphosphorylanilino)methyl]benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenylphosphonic acid, 4-[[(2,5-dihydroxyphenyl)methyl]a...",NA,"COP(=O)(C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O)OC","WBIBAACEZLKVDU-UHFFFAOYSA-N",390796,NA,"PDBC17090","688792","Present",NA,NA
+"17091","2-[(4-Ethylbenzyl)amino]-1-phenylethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766808",NA,"CCC1=CC=C(C=C1)CNCC(C2=CC=CC=C2)O","RVPGAQKKCJHKJX-UHFFFAOYSA-N",4720996,NA,"PDBC17091","766808","Present",NA,NA
+"17092","2-[(4-Fluoro-alpha-oxophenethyl)amino]-3-chloro-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Fluoro-alpha-oxophenethyl)amino]-3-chloro-1,4-naphthoquinone",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)CC3=CC=C(C=C3)F","UVROQTTYJPEGDK-UHFFFAOYSA-N",371175,NA,"PDBC17092","645207","Present",NA,NA
+"17093","2-[(4-Fluorobenzoyl)amino]-3-chloro-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Fluorobenzoyl)amino]-3-chloro-1,4-naphthoquinone",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C3=CC=C(C=C3)F","QGZPWPPPKVFWGG-UHFFFAOYSA-N",377404,NA,"PDBC17093","658847","Present",NA,NA
+"17094","2-[(4-Fluorobenzoyl)amino]-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(4-fluorobenzamido)-N'-(phenyl(pyridin-2-yl)methyl...",NA,"C1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)F)C4=CC=CC=N4","DKCNMCPRPOWECN-BGABXYSRSA-N",155813437,NA,"PDBC17094","797756","Present",NA,NA
+"17095","2-[(4-Fluorophenyl)diazenyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Fluorophenyl)diazenyl]-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C(C=C1)C2=C(C(=O)N3C4=CC=CC=C4NC3=C2C#N)N=NC5=CC=C(C=C5)F","LISSANPHEMECBU-UHFFFAOYSA-N",395420,NA,"PDBC17095","699956","Present",NA,NA
+"17096","2-[(4-Fluorophenyl)diazenyl]-7,8-dimethyl-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Fluorophenyl)diazenyl]-7,8-dimethyl-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=O)N=NC4=CC=C(C=C4)F)C5=CC=CC=C5)C#N)N2","LIZUEMPYVGXLRF-UHFFFAOYSA-N",395421,NA,"PDBC17096","699957","Present",NA,NA
+"17097","2-[(4-Fluorophenyl)methyl]-1H-benzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorobenzyl)-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C(N3)CC4=CC=C(C=C4)F","FQXADOYPUPPQGT-UHFFFAOYSA-N",371177,NA,"PDBC17097","645209","Present",NA,NA
+"17098","2-[(4-Hydroxyanilino)methyl]benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[(4-Hydroxyphenyl)amino]methyl}benzene-1,4-diol",NA,"C1=CC(=CC=C1NCC2=C(C=CC(=C2)O)O)O","AODCQEOEMRWMAS-UHFFFAOYSA-N",402810,NA,"PDBC17098","717061","Present",NA,NA
+"17099","2-[(4-Hydroxyphenyl)methyl]-3-methyl-5-(2-phenylethyl)pyrrolidine-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Hydroxybenzyl)-3-methyl-5-(2-phenylethyl)pyrrolidine-3-carbaldehyde",NA,"CC1(CC(NC1CC2=CC=C(C=C2)O)CCC3=CC=CC=C3)C=O","ICUUMLDIHQLJNO-UHFFFAOYSA-N",401722,NA,"PDBC17099","715452","Present",NA,NA
+"17100","2-[(4-Hydroxyphenyl)sulfanylmethyl]benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Hydroxyphenyl)sulfanylmethyl]benzene-1,4-diol",NA,"C1=CC(=CC=C1O)SCC2=C(C=CC(=C2)O)O","SPKMMWKRZJWHSL-UHFFFAOYSA-N",384134,NA,"PDBC17100","673421","Present",NA,NA
+"17101","2-[(4-Iodobenzoyl)amino]-3-(4-iodophenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Iodobenzoyl)amino]-3-(4-iodophenyl)propanoic acid",NA,"C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)I)I","JWYVRTYEULJQBP-UHFFFAOYSA-N",336952,NA,"PDBC17101","353281","Present",NA,NA
+"17102","2-[(4-Isothiocyanatophenyl)methylsulfanyl]-1H-benzimidazole;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671433",NA,"C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)N=C=S.Br","DWXYLGCUAJRFMR-UHFFFAOYSA-N",383323,NA,"PDBC17102","671433","Present",NA,NA
+"17103","2-[(4-Methoxynaphthalen-1-yl)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Methoxynaphthalen-1-yl)methyl]benzoic acid",NA,"COC1=CC=C(C2=CC=CC=C21)CC3=CC=CC=C3C(=O)O","DZLDQAMPFVLWLG-UHFFFAOYSA-N",242043,NA,"PDBC17103","50155","Present",NA,NA
+"17104","2-[(4-Methoxyphenyl)sulfonyl-methylamino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBKinase1_003874",NA,"CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)OC","AVGHWDMNPUHFBQ-UHFFFAOYSA-N",362743,NA,"PDBC17104","626998","Present",NA,NA
+"17105","2-[(4-Methylbenzoyl)amino]-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(4-methylbenzamido)-N'-(phenyl(pyridin-2-yl)methyl...",NA,"CC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C(=O)NN=C(C3=CC=CC=C3)C4=CC=CC=N4","AWXONZHVLFYIMW-QCWLDUFUSA-N",155811911,NA,"PDBC17105","797755","Present",NA,NA
+"17106","2-[(4-Methylphenyl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-METHYLPHENYL)AMINO]ETHANOL",NA,"CC1=CC=C(C=C1)NCCO","YVJVQYNIANZFFM-UHFFFAOYSA-N",220008,NA,"PDBC17106","2154","Present",NA,NA
+"17107","2-[(4-Methylphenyl)sulfinyl]-3-furancarboxaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-methylphenyl)sulfinyl]-3-furancarboxaldehyde",NA,"CC1=CC=C(C=C1)S(=O)C2=C(C=CO2)C=O","ZKNFYRJMNKLJCF-INIZCTEOSA-N",9571962,NA,"PDBC17107","679180","Present",NA,NA
+"17108","2-[(4-Methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Methylphenyl)sulfonylcarbamoylamino]-3-phenylpropanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CC=CC=C2)C(=O)O","NMNHYVSVZWXEOG-UHFFFAOYSA-N",396495,NA,"PDBC17108","702679","Present",NA,NA
+"17109","2-[(4-Methylphenyl)sulfonylcarbamoylamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(p-Tolylsulfonylcarbamoylamino)acetamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC(=O)N","ZDCCLWNPLFFZSE-UHFFFAOYSA-N",396485,NA,"PDBC17109","702669","Present",NA,NA
+"17110","2-[(4-Methylphenyl)sulfonylcarbamoylamino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glycine, N-[[[(4-methylphenyl)sulfonyl]amino]carbonyl]-",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC(=O)O","VBSMIOGEIRZNQH-UHFFFAOYSA-N",396484,NA,"PDBC17110","702668","Present",NA,NA
+"17111","2-[(4-Methylsulfanylphenyl)carbamoyl]cyclohexane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((4-(Methylthio)anilino)carbonyl)cyclohexanecarboxylic acid",NA,"CSC1=CC=C(C=C1)NC(=O)C2CCCCC2C(=O)O","WBWJXFJNJSYIPP-UHFFFAOYSA-N",306755,NA,"PDBC17111","204442","Present",NA,NA
+"17112","2-[(4-Nitrophenoxy)methyl]-5-[8-[5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-nitrophenoxy)methyl]-5-[8-[5-[(4-nitrophenoxy)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole",NA,"C1=CC(=CC=C1[N+](=O)[O-])OCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)COC4=CC=C(C=C4)[N+](=O)[O-]","FVDZEYSFVSMQKD-UHFFFAOYSA-N",394038,NA,"PDBC17112","697156","Present",NA,NA
+"17113","2-[(4-Nitrophenyl)methyl]-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Nitrobenzyl)-1,3-benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)CC3=CC=C(C=C3)[N+](=O)[O-]","DATVPJQBGJABAN-UHFFFAOYSA-N",365133,NA,"PDBC17113","632234","Present",NA,NA
+"17114","2-[(4-Nitrophenyl)sulfonylamino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Nitrophenyl)sulfonylamino]benzoic acid",NA,"C1=CC=C(C(=C1)C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","MWXPPZARWSMLCS-UHFFFAOYSA-N",362691,NA,"PDBC17114","626930","Present",NA,NA
+"17115","2-[(4-Nitrophenyl)sulfonylamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_009033",NA,"CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]","HYJCTEWPGQGLRQ-UHFFFAOYSA-N",362750,NA,"PDBC17115","627006","Present",NA,NA
+"17116","2-[(4-Oxo-2-phenyl-thiazolidin-3-yl)amino]-1H-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Oxo-2-phenyl-thiazolidin-3-yl)amino]-1H-pyrimidine-4,6-dione",NA,"C1C(=O)NC(=NN2C(SCC2=O)C3=CC=CC=C3)NC1=O","BRFYTHSKZGPAPK-UHFFFAOYSA-N",135444914,NA,"PDBC17116","687809","Present",NA,NA
+"17117","2-[(4-Phenylphenyl)methylidene]propanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"malonic acid, p-phenylbenzylidene- (6ci)",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C=C(C(=O)O)C(=O)O","VUKIGYZXHRSZFY-UHFFFAOYSA-N",223918,NA,"PDBC17117","638156","Present",NA,NA
+"17118","2-[(4E)-1,5-Dimethyl-4-[(4-nitrophenyl)hydrazinylidene]-7-oxo-8-tricyclo[4.4.0.02,8]decanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4E)-1,5-Dimethyl-4-[(4-nitrophenyl)hydrazinylidene]-7-oxo-8-tricyclo[4.4.0.02,8]decanyl]propanoic acid",NA,"CC1C2C(=O)C3(CCC2(C3CC1=NNC4=CC=C(C=C4)[N+](=O)[O-])C)C(C)C(=O)O","AWVZNWWDGGUAQE-HZHRSRAPSA-N",6377377,NA,"PDBC17118","294530","Present",NA,NA
+"17119","2-[(4E)-4-(4-Dimethylaminophenyl)imino-1-naphthylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Propanedinitrile, 2-[[4-[4-(dimethylamino)phenyl]imi...",NA,"CN(C)C1=CC=C(C=C1)N=C2C=CC(=C(C#N)C#N)C3=CC=CC=C23","VAJFTXOQBPMGCF-UHFFFAOYSA-N",363173,NA,"PDBC17119","627777","Present",NA,NA
+"17120","2-[(4E)-4-(4-Ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4E)-4-(4-Ethoxyphenyl)sulfonylimino-1-oxonaphthalen-2-yl]sulfanylacetic acid",NA,"CCOC1=CC=C(C=C1)S(=O)(=O)N=C2C=C(C(=O)C3=CC=CC=C32)SCC(=O)O","MCEZDZGCNWEVPO-HEHNFIMWSA-N",6022733,NA,"PDBC17120","743411","Present",NA,NA
+"17121","2-[(4R,5R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4R,5R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione",NA,"CC1=CC=C(C=C1)C(=O)C(C2C(OC(O2)(C)C)C3COC(O3)(C)C)C(=O)C","BZFZGHUYWOTJBG-QAKAPOOCSA-N",400534,NA,"PDBC17121","712579","Present",NA,NA
+"17122","2-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-(4-methylphenyl)butane-1,3-dione",NA,"CC1=CC=C(C=C1)C(=O)C(C2C(OC(O2)(C)C)C3COC(O3)(C)C)C(=O)C","BZFZGHUYWOTJBG-VBZNHOPUSA-N",399504,NA,"PDBC17122","710365","Present",NA,NA
+"17123","2-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5,8-Dihydroxy-1,4-dioxo-2-naphthyl)sulfanyl]propanoic acid",NA,"CC(C(=O)O)SC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","NKCCLIOPANGWKR-UHFFFAOYSA-N",360627,NA,"PDBC17123","622932","Present",NA,NA
+"17124","2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Amino-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,"CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NN=C(S3)N","WPHGUISTWNATNM-UHFFFAOYSA-N",385801,NA,"PDBC17124","677195","Present",NA,NA
+"17125","2-[(5-Anilino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-3-ethyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinazolin-4(3H)-one, 3-ethyl- 2-[[[5-(phenylamino)-1,3,...",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SCC3=NN=C(S3)NC4=CC=CC=C4","PBLQCZANCHMAIS-UHFFFAOYSA-N",389773,NA,"PDBC17125","686368","Present",NA,NA
+"17126","2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(3-nitrophenyl)acetamide",NA,"C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","OIBOZTRCFIAHSR-UHFFFAOYSA-N",375282,NA,"PDBC17126","654799","Present",NA,NA
+"17127","2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide",NA,"C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","DPSMRFXKYRGJOS-UHFFFAOYSA-N",375281,NA,"PDBC17127","654798","Present",NA,NA
+"17128","2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(3,4-dichlorophenyl)-3-hydroxyguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(3,4-dichlorophenyl)-3-hydroxyguanidine",NA,"CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N=C(NC3=CC(=C(C=C3)Cl)Cl)NO","GMJJANLELLMTEW-UHFFFAOYSA-N",9572204,NA,"PDBC17128","707047","Present",NA,NA
+"17129","2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","WTFNAXCOXIJAQD-UHFFFAOYSA-N",9572190,NA,"PDBC17129","707033","Present",NA,NA
+"17130","2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl]-1-(4-chlorophenyl)guanidine",NA,"CC1=C(SC2=C1C=C(C=C2)Cl)S(=O)(=O)N=C(N)NC3=CC=C(C=C3)Cl","ZPDPOBPCPJFDQU-UHFFFAOYSA-N",9572211,NA,"PDBC17130","707402","Present",NA,NA
+"17131","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-(1H-imidazol-5-yl)propanoic acid",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CC3=CN=CN3)C(=O)O","KGVOTSLLDTXORB-UHFFFAOYSA-N",375073,NA,"PDBC17131","653957","Present",NA,NA
+"17132","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-(1H-indol-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-(1H-indol-3-yl)propanoic acid",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CC3=CNC4=CC=CC=C43)C(=O)O","OBUOAPDTYNCKRU-UHFFFAOYSA-N",375074,NA,"PDBC17132","653958","Present",NA,NA
+"17133","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-phenylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-phenylpropanoic acid",NA,"C1=CC=C(C=C1)CC(C(=O)O)N=CC2=C(OC(=N2)C3=CC=CC=C3)O","SWWOKGQOMHQXGW-UHFFFAOYSA-N",369486,NA,"PDBC17133","641256","Present",NA,NA
+"17134","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-sulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-3-sulfanylpropanoic acid",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CS)C(=O)O","LCMJKBVALQNLIY-UHFFFAOYSA-N",375072,NA,"PDBC17134","653956","Present",NA,NA
+"17135","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-4-methylpentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-4-methylpentanoic acid",NA,"CC(C)CC(C(=O)O)N=CC1=C(OC(=N1)C2=CC=CC=C2)O","BUSXUJCRIRLOOM-UHFFFAOYSA-N",369485,NA,"PDBC17135","641255","Present",NA,NA
+"17136","2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]pentanedioic acid",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CCC(=O)O)C(=O)O","BFSYORLFKKFRDT-UHFFFAOYSA-N",369487,NA,"PDBC17136","641257","Present",NA,NA
+"17137","2-[(5-Methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Methoxy-2-phenyl-1H-indol-3-yl)methylidene]propanedinitrile",NA,"COC1=CC2=C(C=C1)NC(=C2C=C(C#N)C#N)C3=CC=CC=C3","SKVACZJXRXRELQ-UHFFFAOYSA-N",23861723,NA,"PDBC17137","749027","Present",NA,NA
+"17138","2-[(5-Methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methyl]isoindoline-1,3-dione hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(1,3-Dioxo-1,3-dihydro-2h-isoindol-2-yl)methyl]-5-methyloctahydro-2h-quinolizinium iodide",NA,"C[N+]12CCCCC1C(CCC2)CN3C(=O)C4=CC=CC=C4C3=O.[I-]","WRONDZPMXOPNAS-UHFFFAOYSA-M",390677,NA,"PDBC17138","688314","Present",NA,NA
+"17139","2-[(5-Methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide",NA,"CC1=CC2=C(C=C1)N(C(=S)N2)C=C(C(=O)N)C(=O)N","BSQQIZZBCZIJPP-UHFFFAOYSA-N",3004537,NA,"PDBC17139","658310","Present",NA,NA
+"17140","2-[(5-Methylfuran-2-yl)methylidene]propanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Methylfuran-2-yl)methylidene]propanedioic acid",NA,"CC1=CC=C(O1)C=C(C(=O)O)C(=O)O","STUYIPPGFOEHIL-UHFFFAOYSA-N",381100,NA,"PDBC17140","667263","Present",NA,NA
+"17141","2-[(5-Nitro-1-benzothiophen-2-yl)methylideneamino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Nitro-1-benzothiophen-2-yl)methylideneamino]aniline",NA,"C1=CC=C(C(=C1)N)N=CC2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]","MIIOGXZUURBYMT-UHFFFAOYSA-N",400284,NA,"PDBC17141","711818","Present",NA,NA
+"17142","2-[(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)sulfamoyl]benzoic acid",NA,"C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","ZRVCCBYKHVNUIP-UHFFFAOYSA-N",394905,NA,"PDBC17142","698997","Present",NA,NA
+"17143","2-[(6-Bromo-1,3-benzodioxol-5-yl)methoxy]acetaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(6-Bromo-1,3-benzodioxol-5-yl)methoxy]acetaldehyde",NA,"C1OC2=C(O1)C=C(C(=C2)COCC=O)Br","KMFMHSWGWRUJRC-UHFFFAOYSA-N",395288,NA,"PDBC17143","699768","Present",NA,NA
+"17144","2-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(6-Chloro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,"CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=C(N=C3N2CCS3)Cl","DOWGWHIAYKRQJI-UHFFFAOYSA-N",403956,NA,"PDBC17144","719722","Present",NA,NA
+"17145","2-[(6-Chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(6-chloro-2-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,"CC1=CN2C(=C(N=C2S1)Cl)CC3=C(C(=O)C(=C(C3=O)OC)OC)C","NRQJFDJDYDOQJM-UHFFFAOYSA-N",403957,NA,"PDBC17145","719723","Present",NA,NA
+"17146","2-[(6-Chloro-9-oxo-xanthen-4-yl)methylsulfanyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(6-Chloro-9-oxo-xanthen-4-yl)methylsulfanyl]benzoic acid",NA,"C1=CC=C(C(=C1)C(=O)O)SCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl","OOBWNFRYKOCLJW-UHFFFAOYSA-N",391391,NA,"PDBC17146","690564","Present",NA,NA
+"17147","2-[(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,"CC1=C(C(=O)C(=C(C1=O)OC)OC)CC2=C(N=C3N2C=CS3)Cl","BNYAKXWSOIKGCG-UHFFFAOYSA-N",403955,NA,"PDBC17147","719721","Present",NA,NA
+"17148","2-[(6-Methoxy-2-methylquinolin-4-yl)amino]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766603",NA,"CC1=CC(=C2C=C(C=CC2=N1)OC)NC3=CC=CC=C3O","XQBRDVAYQUCUCM-UHFFFAOYSA-N",686636,NA,"PDBC17148","766603","Present",NA,NA
+"17149","2-[(6-Nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(6-Nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanediamide",NA,"C1=CC2=C(C=C1[N+](=O)[O-])N(C(=S)N2)C=C(C(=O)N)C(=O)N","JBDFXSDBDFXTCY-UHFFFAOYSA-N",3003242,NA,"PDBC17149","658329","Present",NA,NA
+"17150","2-[(6-Nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(6-Nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanedinitrile",NA,"C1=CC2=C(C=C1[N+](=O)[O-])N(C(=S)N2)C=C(C#N)C#N","JPWDNYLLZCMZIM-UHFFFAOYSA-N",3004561,NA,"PDBC17150","658342","Present",NA,NA
+"17151","2-[(7-Bromo-9H-fluoren-2-yl)amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(7-Bromo-9H-fluoren-2-yl)amino]acetic acid",NA,"C1C2=C(C=CC(=C2)NCC(=O)O)C3=C1C=C(C=C3)Br","NSVIUUBAVHWSQW-UHFFFAOYSA-N",282648,NA,"PDBC17151","136325","Present",NA,NA
+"17152","2-[(7-Chloroquinolin-4-yl)amino]-5-(diethylamino)pentan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC295632///NSC295634",NA,"CCN(CC)CCCC(CO)NC1=C2C=CC(=CC2=NC=C1)Cl","FYKKJMZGHNIZKP-UHFFFAOYSA-N",325988,NA,"PDBC17152","295632///295634","Present",NA,NA
+"17153","2-[(7-Hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(7-Hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid",NA,"CSCCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O","MCZOQAVTLSACNL-UHFFFAOYSA-N",5466059,NA,"PDBC17153","673337","Present",NA,NA
+"17154","2-[(7-Hydroxy-2-oxo-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(7-Hydroxy-2-oxo-chromen-8-yl)methylamino]-4-methylsulfanyl-butanoic acid",NA,"CSCCC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2)O","DECOECSJYTXEJZ-UHFFFAOYSA-N",5466063,NA,"PDBC17154","673341","Present",NA,NA
+"17155","2-[(7-Methoxy-1-nitroacridin-9-yl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(7-Methoxy-1-nitroacridin-9-yl)amino]ethanol",NA,"COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCO","QKERPOLKEQREML-UHFFFAOYSA-N",378849,NA,"PDBC17155","662189","Present",NA,NA
+"17156","2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)oxy-diphenyl-stannyl]oxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)oxy-diphenyl-stannyl]oxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,"PDBC17156","644925","Present",NA,NA
+"17157","2-[(8-Hydroxyquinolin-2-yl)disulfanyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-disulfanediyldiquinolin-8-ol",NA,"C1=CC2=C(C(=C1)O)N=C(C=C2)SSC3=NC4=C(C=CC=C4O)C=C3","XHJJWLOYIZUQTP-UHFFFAOYSA-N",276707,NA,"PDBC17157","125034","Present",NA,NA
+"17158","2-[(8E)-Heptadec-8-en-1-yl]-1,1-bis(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(8E)-Heptadec-8-en-1-yl]-1,1-bis(2-hydroxyethyl)-4,5-dihydro-1H-imidazol-1-ium chloride",NA,"CCCCCCCCC=CCCCCCCCC1=NCC[N+]1(CCO)CCO.[Cl-]","PRICGBHGIPCUAF-RRABGKBLSA-M",15651732,NA,"PDBC17158","33584","Present",NA,NA
+"17159","2-[(8E,11E)-Heptadeca-8,11-dienyl]-5,5-dimethyl-3-propan-2-yl-4H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(8E,11E)-Heptadeca-8,11-dienyl]-5,5-dimethyl-3-propan-2-yl-4H-imidazole",NA,"CCCCCC=CCC=CCCCCCCCC1=NC(CN1C(C)C)(C)C","FJQBQHDALVQQQD-IWCZYTNJSA-N",5354707,NA,"PDBC17159","17747","Present",NA,NA
+"17160","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]-N,N-dimethylethanamine oxide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]-N,N-dimethylethanamine oxide;hydrochloride",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)[O-])N.Cl","NVDWLLFNNXJCST-UHFFFAOYSA-N",389050,NA,"PDBC17160","684667","Present",NA,NA
+"17161","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]azanium;chloride",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=CC=C(N4C)[N+](=O)[O-])N.[Cl-]","DQBTVFMTCFXGDL-UHFFFAOYSA-N",391707,NA,"PDBC17161","691250","Present",NA,NA
+"17162","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(2-morpholin-4-yl-4-nitro-1,3-thiazol-5-yl)methyl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(2-morpholin-4-yl-4-nitro-1,3-thiazol-5-yl)methyl]azanium;chloride",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=C(N=C(S4)N5CCOCC5)[N+](=O)[O-])N.[Cl-]","MDHBMLKRWWUVFX-UHFFFAOYSA-N",391709,NA,"PDBC17162","691251","Present",NA,NA
+"17163","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;chloride",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=C(N=CN4C)[N+](=O)[O-])N.[Cl-]","HWPNTOPPWPSEPA-UHFFFAOYSA-N",391711,NA,"PDBC17163","691252","Present",NA,NA
+"17164","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-nitrothiophen-2-yl)methyl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(3-nitrothiophen-2-yl)methyl]azanium;chloride",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=C(C=CS4)[N+](=O)[O-])N.[Cl-]","KKJUIDSKPAIKHA-UHFFFAOYSA-N",391705,NA,"PDBC17164","691249","Present",NA,NA
+"17165","2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Amino-5-methylacridine-4-carbonyl)amino]ethyl-dimethyl-[(4-methylsulfonylphenyl)methyl]azanium;chloride",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=CC=C(C=C4)S(=O)(=O)C)N.[Cl-]","MYVATADSXHXAFV-UHFFFAOYSA-N",391966,NA,"PDBC17165","691656","Present",NA,NA
+"17166","2-[(9-Hydroxyxanthen-9-yl)methyl]-N-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Hydroxy-9H-xanthen-9-yl)methyl]-N-methylbenzamide",NA,"CNC(=O)C1=CC=CC=C1CC2(C3=CC=CC=C3OC4=CC=CC=C42)O","FEXGHALZSMTPJX-UHFFFAOYSA-N",337884,NA,"PDBC17166","357788","Present",NA,NA
+"17167","2-[(9-Methylidene-2-tricyclo[4.3.0.03,8]nonanyl)oxycarbonyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Methylidene-2-tricyclo[4.3.0.03,8]nonanyl)oxycarbonyl]benzoic acid",NA,"C=C1C2CC3C1C(C2CC3)OC(=O)C4=CC=CC=C4C(=O)O","FVXIKFDJSKTCEW-UHFFFAOYSA-N",380727,NA,"PDBC17167","666434","Present",NA,NA
+"17168","2-[(9-Oxo-10H-acridin-2-yl)sulfanyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Oxo-10H-acridin-2-yl)sulfanyl]acetic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC(=C3)SCC(=O)O","WFJQKCGOMANRBI-UHFFFAOYSA-N",438621,NA,"PDBC17168","647539","Present",NA,NA
+"17169","2-[(9-Oxo-10H-acridine-4-carbonyl)amino]-3-sulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Oxo10h-acridine-4-carbonyl)amino]-3-sulfanyl-propanoic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC(CS)C(=O)O","COAVEVYXKMFUPQ-UHFFFAOYSA-N",392352,NA,"PDBC17169","692636","Present",NA,NA
+"17170","2-[(9-Oxo10h-acridine-4-carbonyl)amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9-Oxo10h-acridine-4-carbonyl)amino]acetic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NCC(=O)O","ZAIUWDOPMPBUPY-UHFFFAOYSA-N",392348,NA,"PDBC17170","692632","Present",NA,NA
+"17171","2-[(Allylcarbamothioylamino)methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Allylcarbamothioylamino)methylene]propanediamide",NA,"C=CCNC(=S)NC=C(C(=O)N)C(=O)N","ZXGQDDPUWHGNRY-UHFFFAOYSA-N",3004587,NA,"PDBC17171","658504","Present",NA,NA
+"17172","2-[(Alphaz)-5-Nitrofurfurylidene]benzofuran-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(5-Nitrofuran-2-ylmethylene)-3(2H)-benzofuranone",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","OLSVXAMJDQNRMO-XFFZJAGNSA-N",10400204,NA,"PDBC17172","772281","Present",NA,NA
+"17173","2-[(Benzoyloxy)methyl]-5,3-b] carbazolium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Benzoyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b] ca...",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=CC=CC=C43)C)COC(=O)C5=CC=CC=C5.[I-]","PKBVDDHZUFSCLK-UHFFFAOYSA-N",365246,NA,"PDBC17173","632622","Present",NA,NA
+"17174","2-[(Carbamothioylamino)methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Carbamothioylamino)methylene]propanediamide",NA,"C(=C(C(=O)N)C(=O)N)NC(=S)N","KWNZZDCTLPZOEL-UHFFFAOYSA-N",3004584,NA,"PDBC17174","658501","Present",NA,NA
+"17175","2-[(Carboxymethyl)thio]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(o-carboxyphenylthio)acetic acid",NA,"C1=CC=C(C(=C1)C(=O)O)SCC(=O)O","GMBZSYUPMWCDGK-UHFFFAOYSA-N",8660,NA,"PDBC17175","5347","Present",NA,NA
+"17176","2-[(Cyclohexylcarbonyl)amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 7137130",NA,"C1CCC(CC1)C(=O)NC2=CC=CC=C2C(=O)O","TVONCUQFOOJSCC-UHFFFAOYSA-N",362493,NA,"PDBC17176","626516","Present",NA,NA
+"17177","2-[(Dibenzylamino)methyl]cyclododecan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657305",NA,"C1CCCCCC(=O)C(CCCC1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3.Cl","DZPFFVYDRTVDPB-UHFFFAOYSA-N",376397,NA,"PDBC17177","657305","Present",NA,NA
+"17178","2-[(Dimethylamino)-1-ethyl]-5,3-dimethoxy-8,9-me thylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Formic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Dimethylamino)-1-ethyl]-5,6-dihydro-2,3-dimethoxy-8,...",NA,"CN(C)CCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5.C(=O)O","KYHDBWFLNAWQFU-UHFFFAOYSA-N",44369013,NA,"PDBC17178","724994","Present",NA,NA
+"17179","2-[(Dimethylamino)acetylamino]-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(2-dimethylaminoacetyl)amino]thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CN(C)C","QJXNAAUMQNNZPW-UHFFFAOYSA-N",396820,NA,"PDBC17179","703824","Present",NA,NA
+"17180","2-[(Dimethylamino)methyl]-1-(2-methoxyphenyl)prop-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2-methoxy p...",NA,"CN(C)CC(=C)C(=O)C1=CC=CC=C1OC.Cl","FTCGRADUSQULNS-UHFFFAOYSA-N",13958692,NA,"PDBC17180","382003","Present",NA,NA
+"17181","2-[(Dimethylamino)methyl]-1-(2-methylphenyl)prop-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Dimethylamino)methyl]-1-(2-methylphenyl)prop-2-en-1-one;hydrochloride",NA,"CC1=CC=CC=C1C(=O)C(=C)CN(C)C.Cl","WXFRSORPGACNGW-UHFFFAOYSA-N",13958695,NA,"PDBC17181","382002","Present",NA,NA
+"17182","2-[(Dimethylamino)methyl]-1-(2-nitrophenyl)prop-2-en-1-one;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(2-nitro phe...",NA,"CN(C)CC(=C)C(=O)C1=CC=CC=C1[N+](=O)[O-].[Cl-]","KCZISRHHWPGYAE-UHFFFAOYSA-M",24184553,NA,"PDBC17182","34821","Present",NA,NA
+"17183","2-[(Dimethylamino)methyl]-1-(4-methoxyphenyl)prop-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(4-methoxy p...",NA,"CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OC.Cl","JYMZUDJSDLSSBR-UHFFFAOYSA-N",353911,NA,"PDBC17183","603553","Present",NA,NA
+"17184","2-[(Dimethylamino)methyl]-1-(4-phenoxyphenyl)prop-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 2-[(dimethylamino)methyl]-1-(4-phenoxy p...",NA,"CN(C)CC(=C)C(=O)C1=CC=C(C=C1)OC2=CC=CC=C2.Cl","RBNWCVXOSHFRQY-UHFFFAOYSA-N",353915,NA,"PDBC17184","603555","Present",NA,NA
+"17185","2-[(Dimethylamino)methyl]-1-[4-[2-[(dimethylamino)methyl]prop-2-enoyl]phenyl]prop-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Dimethylamino)methyl]-1-[4-[2-[(dimethylamino)methyl]prop-2-enoyl]phenyl]prop-2-en-1-one;hydrochloride",NA,"CN(C)CC(=C)C(=O)C1=CC=C(C=C1)C(=O)C(=C)CN(C)C.Cl","SKSVAGPMJDYLAU-UHFFFAOYSA-N",54600797,NA,"PDBC17185","382008","Present",NA,NA
+"17186","2-[(Dimethylamino)methyl]-3-[(Z)-heptadec-10-enyl]-5-methoxybenzene-1,4-diol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Hydroquinone-2-methoxy-5-dimethylaminomethyl-6-(10-h...",NA,"CCCCCCC=CCCCCCCCCCC1=C(C(=CC(=C1O)OC)O)CN(C)C.Cl","IMAKMGXLOYZUNP-GMFCBQQYSA-N",5387959,NA,"PDBC17186","630004","Present",NA,NA
+"17187","2-[(Dimethylamino)methyl]-3-[(Z)-heptadec-10-enyl]-5-methoxycyclohexa-2,5-diene-1,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Benzoquinone-2-methoxy-5-dimethylaminomethyl- 6-(10-...",NA,"CCCCCCC=CCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)CN(C)C.Cl","GUBDZQSALKKEII-GMFCBQQYSA-N",5387996,NA,"PDBC17187","630511","Present",NA,NA
+"17188","2-[(Dimethylamino)methyl]-4-(phenylazo)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Dimethylamino)methyl]-4-(phenylazo)phenol",NA,"CN(C)CC1=C(C=CC(=C1)N=NC2=CC=CC=C2)O","JYRZXXWNMUDGMD-UHFFFAOYSA-N",384361,NA,"PDBC17188","674071","Present",NA,NA
+"17189","2-[(Dimethylamino)methyl]-5-propan-2-ylidenecyclopentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Dimethylamino)methyl]-5-propan-2-ylidenecyclopentan-1-one;hydrochloride",NA,"CC(=C1CCC(C1=O)CN(C)C)C.Cl","ULJWQYICSKPBMW-UHFFFAOYSA-N",368456,NA,"PDBC17189","639506","Present",NA,NA
+"17190","2-[(Dimethylamino)methyl]-7-(5-methoxy-3-methylidenepentyl)cycloheptan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylaminomethyl)-7-(5-methoxy-3-methylene-pentyl)cycloheptan-1-one",NA,"CN(C)CC1CCCCC(C1=O)CCC(=C)CCOC","QADHJENBAFALDA-UHFFFAOYSA-N",393398,NA,"PDBC17190","695231","Present",NA,NA
+"17191","2-[(Dimethylamino)methyl]cyclododecan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661449",NA,"CN(C)CC1CCCCCCCCCCC1=O.Cl","UMEAJURBHMYAER-UHFFFAOYSA-N",378658,NA,"PDBC17191","661449","Present",NA,NA
+"17192","2-[(Dimethylamino)methyl]cyclododecanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Dimethylamino)methyl]cyclododecanone",NA,"CN(C)CC1CCCCCCCCCCC1=O","SLKHXYLYZYHQIK-UHFFFAOYSA-N",378659,NA,"PDBC17192","670171","Present",NA,NA
+"17193","2-[(Dimethylamino)methyl]cyclopentan-1-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-, hydrochlorid...",NA,"CN(C)CC1CCCC1=O.Cl","UYEYOIARTNJQBB-UHFFFAOYSA-N",360084,NA,"PDBC17193","621888","Present",NA,NA
+"17194","2-[(Dimethylcarbamothioyl)sulfanyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Amino-2-oxoethyl) N,N-dimethylcarbamodithioate",NA,"CN(C)C(=S)SCC(=O)N","YVDBHZMPCSXUHG-UHFFFAOYSA-N",348488,NA,"PDBC17194","407820","Present",NA,NA
+"17195","2-[(E)-(1-Oxo-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(1-Oxo-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalen-2-ylidene)methyl]benzoic acid",NA,"C1CCC2=C(C1)C=CC3=C2C(=O)C(=CC4=CC=CC=C4C(=O)O)C3","WDMAPQIACQSCRU-LFIBNONCSA-N",5468715,NA,"PDBC17195","674954","Present",NA,NA
+"17196","2-[(E)-(1-Oxoindan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(1-Oxoindan-2-ylidene)methyl]benzoic acid",NA,"C1C2=CC=CC=C2C(=O)C1=CC3=CC=CC=C3C(=O)O","LXXLWOTXTJJGND-JLHYYAGUSA-N",6477501,NA,"PDBC17196","678374","Present",NA,NA
+"17197","2-[(E)-(2,3-Dimethyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2,3-Dimethyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC=CC=N3)C.Cl","QZUYEYTUYPOAAL-CWSPIBBISA-N",24203144,NA,"PDBC17197","726883","Present",NA,NA
+"17198","2-[(E)-(2,3-Dimethyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2,3-Dimethyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC=NC=C3)C.Cl","ZDQKYUWNICHVJG-CWSPIBBISA-N",24203638,NA,"PDBC17198","728912","Present",NA,NA
+"17199","2-[(E)-(2-Chloro-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Chloro-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"C1=CC=NC(=C1)C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N.Cl","ZEEYQTYICXYHES-YAKHFBBESA-N",24203971,NA,"PDBC17199","730290","Present",NA,NA
+"17200","2-[(E)-(2-Chloro-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Chloro-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"C1=CC(=CN=C1)C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N.Cl","DZLKGELKCKUSTI-YAKHFBBESA-N",24204541,NA,"PDBC17200","732173","Present",NA,NA
+"17201","2-[(E)-(2-Chloro-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Chloro-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"C1=CN=CC=C1C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N.Cl","XNOMMTDHWQIENP-YAKHFBBESA-N",24204542,NA,"PDBC17201","732174","Present",NA,NA
+"17202","2-[(E)-(2-Methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Methyl-6-pyridin-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CC=CC=N3)C=NN=C(N)N.Cl","AXLSFPMWQARNOZ-ZDEOBDHWSA-N",24203142,NA,"PDBC17202","726881","Present",NA,NA
+"17203","2-[(E)-(2-Methyl-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Methyl-6-pyridin-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CN=CC=C3)C=NN=C(N)N.Cl","QLOLNNNMOUJFAK-ZDEOBDHWSA-N",24203146,NA,"PDBC17203","726885","Present",NA,NA
+"17204","2-[(E)-(2-Methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Methyl-6-pyridin-4-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CC=NC=C3)C=NN=C(N)N.Cl","TVWAEZMLYZXIJY-ZDEOBDHWSA-N",24203636,NA,"PDBC17204","728910","Present",NA,NA
+"17205","2-[(E)-(2-Methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Methyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CC=CS3)C=NN=C(N)N.Cl","PBDGMDIDQMHKPU-GBDQXREISA-N",24204549,NA,"PDBC17205","732178","Present",NA,NA
+"17206","2-[(E)-(2-Methyl-6-thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(2-Methyl-6-thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CSC=C3)C=NN=C(N)N.Cl","PQRZFBZEIKRJBT-HDNKIUSMSA-N",24204551,NA,"PDBC17206","732179","Present",NA,NA
+"17207","2-[(E)-(3,4-Dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(3,4-Dimethoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C=C1)C=NN=C(N)NO)OC","ZOGHALLUERDSTL-WXIWBVQFSA-N",50990864,NA,"PDBC17207","646099","Present",NA,NA
+"17208","2-[(E)-(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]guanidine",NA,"C1=C(C=C(C(=C1C=NN=C(N)N)O)Cl)Cl","UKJCBMNZFDBNOW-QLKAYGNNSA-N",135545702,NA,"PDBC17208","138367","Present",NA,NA
+"17209","2-[(E)-(3-Chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(3-Chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=CC(=C1)C=NN=C(N)NO)Cl)O","YEADGXKPYVFZLO-AQCBZIOHSA-N",135499239,NA,"PDBC17209","646110","Present",NA,NA
+"17210","2-[(E)-(3-Fluoro-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(3-Fluoro-4-methoxyphenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C=C1)C=NN=C(N)NO)F","UVFJJGDYLZOYSF-NKPNRJPBSA-N",50989442,NA,"PDBC17210","646098","Present",NA,NA
+"17211","2-[(E)-(3-Fluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(3-Fluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC(=C1)F)C=NN=C(N)NO","LCGHDRHYKMMXQX-HMXKFKBXSA-N",10177057,NA,"PDBC17211","646097","Present",NA,NA
+"17212","2-[(E)-(3-Oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(3-Oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoic acid",NA,"C1CC2=CC3=C(C=C2C1)C(=O)C(=CC4=CC=CC=C4C(=O)O)C3","UVRYHLMIVKQCHB-CXUHLZMHSA-N",5887129,NA,"PDBC17212","674942","Present",NA,NA
+"17213","2-[(E)-(3-Oxo-1H-indol-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(3-Oxo-1H-indol-2-ylidene)methyl]benzoic acid",NA,"C1=CC=C(C(=C1)C=C2C(=O)C3=CC=CC=C3N2)C(=O)O","FSMBKPJMPCXMRK-NTEUORMPSA-N",6150650,NA,"PDBC17213","123053","Present",NA,NA
+"17214","2-[(E)-(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(4,5-Dimethoxy-2-nitrophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=C(C(=C1)C=NN=C(N)NO)[N+](=O)[O-])OC","MODFDSFUXIPFTE-NKPNRJPBSA-N",54600863,NA,"PDBC17214","646100","Present",NA,NA
+"17215","2-[(E)-(4,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(4,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoic acid",NA,"CC1=CC(=C(C=C1)C=C2CC3=C(C=C(C=C3C2=O)C)C)C(=O)O","FACNVDJAAUYFIG-OQLLNIDSSA-N",6477507,NA,"PDBC17215","678382","Present",NA,NA
+"17216","2-[(E)-(4,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(4,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,"CC1=CC(=C2CC(=CC3=CC=CC=C3C(=O)O)C(=O)C2=C1)C","SIHGSIZDDRHKRD-NTEUORMPSA-N",6078359,NA,"PDBC17216","678365","Present",NA,NA
+"17217","2-[(E)-(4,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(4,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,"CC1=C2CC(=CC3=CC=CC=C3C(=O)O)C(=O)C2=C(C=C1)C","GEXNYJPCHTYAQV-NTEUORMPSA-N",6477509,NA,"PDBC17217","678384","Present",NA,NA
+"17218","2-[(E)-(5,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(5,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoic acid",NA,"CC1=CC(=C(C=C1)C=C2CC3=C(C2=O)C=C(C(=C3)C)C)C(=O)O","HYTMHDZNFJTGTC-CXUHLZMHSA-N",5899016,NA,"PDBC17218","678368","Present",NA,NA
+"17219","2-[(E)-(5,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(5,6-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,"CC1=CC2=C(C=C1C)C(=O)C(=CC3=CC=CC=C3C(=O)O)C2","NQBFAEFTDPVEFN-OQLLNIDSSA-N",6477502,NA,"PDBC17219","678375","Present",NA,NA
+"17220","2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-4-methyl-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-4-methyl-benzoic acid",NA,"CC1=CC(=C(C=C1)C(=O)O)C=C2CC3=CC(=CC(=C3C2=O)C)C","COEZTYQQCMDKPE-CXUHLZMHSA-N",5868844,NA,"PDBC17220","678367","Present",NA,NA
+"17221","2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid",NA,"CC1=C(C(=CC=C1)C=C2CC3=CC(=CC(=C3C2=O)C)C)C(=O)O","RHFJCBIRRMHCST-CXUHLZMHSA-N",5936641,NA,"PDBC17221","678370","Present",NA,NA
+"17222","2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(5,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,"CC1=CC(=C2C(=C1)CC(=CC3=CC=CC=C3C(=O)O)C2=O)C","WYTDNAJKPRSREL-OQLLNIDSSA-N",6477499,NA,"PDBC17222","678363","Present",NA,NA
+"17223","2-[(E)-(5-Benzyl-4-imino-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(5-Benzyl-4-imino-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)iminomethyl]phenol",NA,"CC1=C(C2=C(N1)N=CN(C2=N)N=CC3=CC=CC=C3O)CC4=CC=CC=C4","GZJAVWFEVFZJAW-DQTGVPGDSA-N",135505219,NA,"PDBC17223","704879","Present",NA,NA
+"17224","2-[(E)-(5-Methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(5-Methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,"CC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CC=C3C(=O)O)C2","QVGYIUBIQRLKJI-NTEUORMPSA-N",6477512,NA,"PDBC17224","678389","Present",NA,NA
+"17225","2-[(E)-(5-Nitro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(5-Nitro-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl)methylideneamino]guanidine",NA,"C1CSC2=NC(=C(N21)[N+](=O)[O-])C=NN=C(N)N","LUGVUPCGTYXTEU-XCVCLJGOSA-N",9572247,NA,"PDBC17225","709141","Present",NA,NA
+"17226","2-[(E)-(5-Nitroimidazo[2,1-b][1,3]thiazol-6-yl)methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(5-Nitroimidazo[2,1-b][1,3]thiazol-6-yl)methylideneamino]guanidine",NA,"C1=CSC2=NC(=C(N21)[N+](=O)[O-])C=NN=C(N)N","AQZTYZBCDOYHDI-XCVCLJGOSA-N",9572246,NA,"PDBC17226","709140","Present",NA,NA
+"17227","2-[(E)-(6,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(6,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoic acid",NA,"CC1=C(C(=CC=C1)C=C2CC3=C(C2=O)C(=C(C=C3)C)C)C(=O)O","CVYNJUFTRDMEIT-CXUHLZMHSA-N",5888698,NA,"PDBC17227","678372","Present",NA,NA
+"17228","2-[(E)-(6,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(6,7-Dimethyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,"CC1=C(C2=C(CC(=CC3=CC=CC=C3C(=O)O)C2=O)C=C1)C","UVEHQSYWBWURBC-OQLLNIDSSA-N",6477504,NA,"PDBC17228","678379","Present",NA,NA
+"17229","2-[(E)-(6-Oxocyclohexa-2,4-dien-1-ylidene)methyl]-N-[4-(piperidine-1-sulfonyl)phenyl]hydrazine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, 2-hydroxy-, 4-[4-(1-piperidinylsulfonyl)ph...",NA,"C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NN=CC3=CC=CC=C3O","HBJIKGJHUYWZDP-XSFVSMFZSA-N",135488762,NA,"PDBC17229","268688","Present",NA,NA
+"17230","2-[(E)-(6-Thiophen-2-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(6-Thiophen-2-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC=CS3.Cl","XRJFHQRSYWLVIE-JSSTZBRYSA-N",24204543,NA,"PDBC17230","732175","Present",NA,NA
+"17231","2-[(E)-(6-Thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(6-Thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"C1=CSC(=C1)C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","VTGWSTCVZWLPOD-JSSTZBRYSA-N",24203629,NA,"PDBC17231","728906","Present",NA,NA
+"17232","2-[(E)-(6-Thiophen-3-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(6-Thiophen-3-yl-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CSC=C3.Cl","YDPKLHLTWULYFQ-OCSIRBNJSA-N",24204545,NA,"PDBC17232","732176","Present",NA,NA
+"17233","2-[(E)-(6-Thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(6-Thiophen-3-ylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine;hydrochloride",NA,"C1=CSC=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","OBMMMQCIZOLGQL-OCSIRBNJSA-N",24203631,NA,"PDBC17233","728907","Present",NA,NA
+"17234","2-[(E)-(7-Methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(7-Methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,"CC1=C2C(=CC=C1)CC(=CC3=CC=CC=C3C(=O)O)C2=O","VPMFATBOCHEXEA-NTEUORMPSA-N",6477506,NA,"PDBC17234","678381","Present",NA,NA
+"17235","2-[(E)-(Benzoylhydrazinylidene)methyl]-4,6-dichlorophenolate;cobalt(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(Benzoylhydrazinylidene)methyl]-4,6-dichlorophenolate;cobalt(2+)",NA,"C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-].C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-].[Co+2]","NNNWPVZEOMHZHA-QZYMEUQESA-L",9569757,NA,"PDBC17235","615376","Present",NA,NA
+"17236","2-[(E)-(Fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(Fluoren-9-ylidenehydrazinylidene)methyl]benzoic acid",NA,"C1=CC=C(C(=C1)C=NN=C2C3=CC=CC=C3C4=CC=CC=C42)C(=O)O","AMULTEKXIYUBCP-LPYMAVHISA-N",5351984,NA,"PDBC17236","120672","Present",NA,NA
+"17237","2-[(E)-(Phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(Phenanthro[9,10-e][1,2,4]triazin-3-ylhydrazinylidene)methyl]phenol",NA,"C1=CC=C(C(=C1)C=NNC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2)O","PATBFKMMYZZDGH-YDZHTSKRSA-N",135436126,NA,"PDBC17237","709351","Present",NA,NA
+"17238","2-[(E)-1-(4-Fluorophenyl)pentylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-1-(4-Fluorophenyl)pentylideneamino]guanidine",NA,"CCCCC(=NN=C(N)N)C1=CC=C(C=C1)F","DFCSMZLIPXUWKR-LFIBNONCSA-N",9561770,NA,"PDBC17238","71717","Present",NA,NA
+"17239","2-[(E)-1-(4-Hydroxyphenyl)octylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-1-(4-Hydroxyphenyl)octylideneamino]guanidine",NA,"CCCCCCCC(=NN=C(N)N)C1=CC=C(C=C1)O","IUILDHLGMXMCKV-NBVRZTHBSA-N",135460274,NA,"PDBC17239","68980","Present",NA,NA
+"17240","2-[(E)-1-Pyridin-1-ium-1-ylpropan-2-ylideneamino]guanidine;chloride;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-1-Pyridin-1-ium-1-ylpropan-2-ylideneamino]guanidine;chloride;hydrochloride",NA,"CC(=NN=C(N)N)C[N+]1=CC=CC=C1.Cl.[Cl-]","RALQWESVJIIFQY-BPWZRWDXSA-M",5351716,NA,"PDBC17240","24205","Present",NA,NA
+"17241","2-[(E)-1-[2-[5-[(E)-N-(Diaminomethylideneamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-1-[2-[5-[(E)-N-(Diaminomethylideneamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=NN=C(N)N)C)C)C(=NN=C(N)N)C","YPZXJOGCEZNVNK-KVJLFNRQSA-N",9571323,NA,"PDBC17241","642611","Present",NA,NA
+"17242","2-[(E)-2,3-Dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2,3-Dihydro-1,4-benzodioxin-6-ylmethylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1COC2=C(O1)C=CC(=C2)C=NN=C(N)NO","CHLSZIIGELHFCY-WXIWBVQFSA-N",9569923,NA,"PDBC17242","625736","Present",NA,NA
+"17243","2-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-5-(5-methyl-1H-pyrazol-3-yl)-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(2-(benzo[d][1,3]dioxol-5-yl)vinyl)-5-(3-methyl-1H...",NA,"CC1=CC(=NN1)C2=NN=C(O2)C=CC3=CC4=C(C=C3)OCO4","LPMWBWZWEVNYGW-HWKANZROSA-N",155808300,NA,"PDBC17243","763646","Present",NA,NA
+"17244","2-[(E)-2-(1-Methylpyridin-1-ium-3-yl)ethenyl]quinolin-8-ol;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2-(1-Methylpyridin-1-ium-3-yl)ethenyl]quinolin-8-ol;chloride",NA,"C[N+]1=CC=CC(=C1)C=CC2=NC3=C(C=CC=C3O)C=C2.[Cl-]","PFNCHCNGVPPJLQ-BXTVWIJMSA-N",5351888,NA,"PDBC17244","79547","Present",NA,NA
+"17245","2-[(E)-2-(1H-Indol-3-yl)ethenyl]-1-methylquinolin-1-ium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2-(1H-Indol-3-yl)ethenyl]-1-methylquinolin-1-ium iodide",NA,"C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CNC4=CC=CC=C43.[I-]","MDMOCSQQUMCIHG-UHFFFAOYSA-N",54610240,NA,"PDBC17245","117185","Present",NA,NA
+"17246","2-[(E)-2-(2,4,5-Trimethoxyphenyl)ethenyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2-(2,4,5-Trimethoxyphenyl)ethenyl]pyridine",NA,"COC1=CC(=C(C=C1C=CC2=CC=CC=N2)OC)OC","RBCSJKUIQXJMIZ-BQYQJAHWSA-N",5932257,NA,"PDBC17246","166728","Present",NA,NA
+"17247","2-[(E)-2-(2,4,6-Trimethoxyphenyl)ethenyl]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2-(2,4,6-Trimethoxyphenyl)ethenyl]quinoxaline",NA,"COC1=CC(=C(C(=C1)OC)C=CC2=NC3=CC=CC=C3N=C2)OC","DANBYOBBNCPSLQ-CMDGGOBGSA-N",5925925,NA,"PDBC17247","166679","Present",NA,NA
+"17248","2-[(E)-2-(2-Hydroxyphenyl)ethenyl]-3-(6-methoxy-1,3-benzothiazol-2-yl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2-(2-Hydroxyphenyl)ethenyl]-3-(6-methoxy-1,3-benzothiazol-2-yl)quinazolin-4-one",NA,"COC1=CC2=C(C=C1)N=C(S2)N3C(=NC4=CC=CC=C4C3=O)C=CC5=CC=CC=C5O","XHOQYWUNVZZTNR-JLHYYAGUSA-N",135505238,NA,"PDBC17248","706977","Present",NA,NA
+"17249","2-[(E)-2-(2-Hydroxyphenyl)ethenyl]-3-(6-methyl-1,3-benzothiazol-2-yl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2-(2-Hydroxyphenyl)ethenyl]-3-(6-methyl-1,3-benzothiazol-2-yl)quinazolin-4-one",NA,"CC1=CC2=C(C=C1)N=C(S2)N3C(=NC4=CC=CC=C4C3=O)C=CC5=CC=CC=C5O","MCYWAVDDYMQBJZ-ACCUITESSA-N",135505237,NA,"PDBC17249","706976","Present",NA,NA
+"17250","2-[(E)-2-(4-Chloro-3-fluorophenyl)ethenyl]-3-(4-ethynylphenyl)pyrido[2,3-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-(4-chloro-3-fluorostyryl)-3-(4-ethynylphenyl)pyrid...",NA,"C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)C=CC4=CC(=C(C=C4)Cl)F","YSANYBIILNOYSE-XYOKQWHBSA-N",90659712,NA,"PDBC17250","766320","Present",NA,NA
+"17251","2-[(E)-2-(Furan-3-yl)ethenyl]-3-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2-(Furan-3-yl)ethenyl]-3-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole",NA,"CC1C2CCCN2OC1C=CC3=COC=C3","BEQCVWNTRFMCAF-SNAWJCMRSA-N",5387274,NA,"PDBC17251","622348","Present",NA,NA
+"17252","2-[(E)-2-(Thiadiazol-4-yl)vinyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-2-(Thiadiazol-4-yl)vinyl]phenol",NA,"C1=CC=C(C(=C1)C=CC2=CSN=N2)O","IRINIQUVJSCSIQ-AATRIKPKSA-N",5388345,NA,"PDBC17252","635117","Present",NA,NA
+"17253","2-[(E)-2-Carboxyethenyl]-5-methyl-4-oxo-1H-pyrimidine-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinecarboxylic acid, 2-(2-carboxyethenyl)-1,6-di...",NA,"CC1=C(N=C(NC1=O)C=CC(=O)O)C(=O)O","XGLPTLSYCNNIFB-NSCUHMNNSA-N",135468171,NA,"PDBC17253","236671","Present",NA,NA
+"17254","2-[(E)-2-Ethylhexylideneamino]guanidine;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonic acid, 4-hydroxy-2-methyl-5-(1-methylethy...",NA,"CCCCC(CC)C=NN=C(N)N.CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O","LDTXCBIFGADKLZ-FLDSLJMSSA-N",5351181,NA,"PDBC17254","66300","Present",NA,NA
+"17255","2-[(E)-2-Nitroethenyl]naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene, 2-(2-nitrovinyl)-",NA,"C1=CC=C2C=C(C=CC2=C1)C=C[N+](=O)[O-]","FSQRAMKGHLSZCT-BQYQJAHWSA-N",5357963,NA,"PDBC17255","111556","Present",NA,NA
+"17256","2-[(E)-3,5-Dimethoxybenzylidene]-5,6-dimethoxyindan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-3,5-Dimethoxybenzylidene]-5,6-dimethoxyindan-1-one",NA,"COC1=CC(=CC(=C1)C=C2CC3=CC(=C(C=C3C2=O)OC)OC)OC","LVVJYQBHAUUDQL-LHHJGKSTSA-N",5469760,NA,"PDBC17256","692309","Present",NA,NA
+"17257","2-[(E)-3,5-Dimethylbenzylidene]-5,6-dimethoxyindan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-3,5-Dimethylbenzylidene]-5,6-dimethoxyindan-1-one",NA,"CC1=CC(=CC(=C1)C=C2CC3=CC(=C(C=C3C2=O)OC)OC)C","GLIOHVRRZYGXPQ-LZYBPNLTSA-N",5469762,NA,"PDBC17257","692313","Present",NA,NA
+"17258","2-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxyethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxyethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate",NA,"C1=CC(=C(C=C1C=CC(=O)OCCOC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","LTACDIIPISHXNX-FCXRPNKRSA-N",5470289,NA,"PDBC17258","699164","Present",NA,NA
+"17259","2-[(E)-3-(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-3-(6-Chloroimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enyl]-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione",NA,"CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=CC2=C(N=C3N2C=CS3)Cl","LURPELKBTNREGD-GQCTYLIASA-N",5472504,NA,"PDBC17259","719726","Present",NA,NA
+"17260","2-[(E)-3-Oxo-5-phenyl-pent-4-enyl]indane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-3-Oxo-5-phenyl-pent-4-enyl]indane-1,3-dione",NA,"C1=CC=C(C=C1)C=CC(=O)CCC2C(=O)C3=CC=CC=C3C2=O","OVTPBTNONQPUQV-ZHACJKMWSA-N",5871786,NA,"PDBC17260","649564","Present",NA,NA
+"17261","2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-methyl-allyl]sulfanylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-methyl-allyl]sulfanylaniline",NA,"CC(C=CNNC1=NC(C(=NN1)C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=CC=C4N","ZQKSBFPMIVVJJI-WUKNDPDISA-N",5930144,NA,"PDBC17261","640639","Present",NA,NA
+"17262","2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-allyl]sulfanylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-3-[2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-allyl]sulfanylaniline",NA,"C1=CC=C(C=C1)C2C(=NNC(=N2)NNC=CC(C3=CC=CC=C3)SC4=CC=CC=C4N)C5=CC=CC=C5","QPBVYEYJHYSPAY-QZQOTICOSA-N",5859228,NA,"PDBC17262","640629","Present",NA,NA
+"17263","2-[(E)-4-Bromobut-2-enyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-4-Bromobut-2-enyl]-1,2,4-triazine-3,5-dione",NA,"C1=NN(C(=O)NC1=O)CC=CCBr","SPWQUMPEBWFHEC-OWOJBTEDSA-N",5468889,NA,"PDBC17263","678979","Present",NA,NA
+"17264","2-[(E)-4-Chlorobut-2-enoxy]oxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-4-Chlorobut-2-enoxy]oxane",NA,"C1CCOC(C1)OCC=CCCl","MEQZNJKQSDWFHR-DUXPYHPUSA-N",5386823,NA,"PDBC17264","618229","Present",NA,NA
+"17265","2-[(E)-4-Diethoxyphosphorylbut-2-enyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-4-Diethoxyphosphorylbut-2-enyl]-1,2,4-triazine-3,5-dione",NA,"CCOP(=O)(CC=CCN1C(=O)NC(=O)C=N1)OCC","COHBMXRETQLPCC-AATRIKPKSA-N",5468890,NA,"PDBC17265","678980","Present",NA,NA
+"17266","2-[(E)-4-Hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-4-Hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione",NA,"C1=NN(C(=O)NC1=O)CC=CCO","GQIUPNCBCINRQN-OWOJBTEDSA-N",5468893,NA,"PDBC17266","678983","Present",NA,NA
+"17267","2-[(E)-Benzylideneamino]-4-methyl-4-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-Benzylideneamino]-4-methyl-4-[(4-methyl-5-phenyl-1H-pyrazol-3-yl)amino]-5-phenylpyrazol-3-one",NA,"CC1=C(NN=C1NC2(C(=NN(C2=O)N=CC3=CC=CC=C3)C4=CC=CC=C4)C)C5=CC=CC=C5","AJTQOKLLMRRUHR-MTDXEUNCSA-N",9572292,NA,"PDBC17267","710374","Present",NA,NA
+"17268","2-[(E)-Benzyloxyiminomethyl]pyridin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-Benzyloxyiminomethyl]pyridin-3-ol",NA,"C1=CC=C(C=C1)CON=CC2=C(C=CC=N2)O","FKGXFBXRBFXISF-OQLLNIDSSA-N",135499206,NA,"PDBC17268","644866","Present",NA,NA
+"17269","2-[(E)-Furan-2-ylmethylideneamino]guanidine;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-Furan-2-ylmethylideneamino]guanidine;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid",NA,"CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O.C1=COC(=C1)C=NN=C(N)N","HVACGIAUTUPJDG-CDPAKSFWSA-N",9561735,NA,"PDBC17269","69911","Present",NA,NA
+"17270","2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-3-propan-2-yl-4H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-3-propan-2-yl-4H-imidazole",NA,"CCCCCCCCC=CCCCCCCCC1=NC(CN1C(C)C)(C)C","QKZQHDILYLURDR-BUHFOSPRSA-N",5354706,NA,"PDBC17270","17746","Present",NA,NA
+"17271","2-[(E)-[(1,3,7-Trimethyl-2,6-dioxopurin-8-yl)hydrazinylidene]methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[(1,3,7-Trimethyl-2,6-dioxopurin-8-yl)hydrazinylidene]methyl]benzoic acid",NA,"CN1C2=C(N=C1NN=CC3=CC=CC=C3C(=O)O)N(C(=O)N(C2=O)C)C","LYTUKZARIFHVIZ-CAOOACKPSA-N",5771572,NA,"PDBC17271","64678","Present",NA,NA
+"17272","2-[(E)-[(2-Hydroxy-3-methoxyphenyl)-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]methyl]iminomethyl]-6-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[(2-Hydroxy-3-methoxyphenyl)-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]methyl]iminomethyl]-6-methoxyphenol",NA,"COC1=CC=CC(=C1O)C=NC(C2=C(C(=CC=C2)OC)O)N=CC3=C(C(=CC=C3)OC)O","QYOVXBVXFAJHQH-BKHCZYBLSA-N",135455640,NA,"PDBC17272","620465","Present",NA,NA
+"17273","2-[(E)-[(2Z)-2-Benzylideneheptylidene]amino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[(2Z)-2-Benzylideneheptylidene]amino]guanidine",NA,"CCCCCC(=CC1=CC=CC=C1)C=NN=C(N)N","HTRMCBGZDPWOAH-OIKHISIKSA-N",23350939,NA,"PDBC17273","66287","Present",NA,NA
+"17274","2-[(E)-[(E)-3-Phenylprop-2-enylidene]amino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[(E)-3-Phenylprop-2-enylidene]amino]-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one",NA,"C1=CC=C(C=C1)C=CC=NC2=NN3C(=O)C4=CC=CC=C4N=C3S2","FAHPVHYEBKCOBE-YKIVCEQRSA-N",9572082,NA,"PDBC17274","702031","Present",NA,NA
+"17275","2-[(E)-[1-[(E)-Carboxymethoxyiminomethyl]-2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]methylideneamino]oxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[1-[(E)-Carboxymethoxyiminomethyl]-2-(4-methoxyphenyl)pyrrolo[2,1-b][1,3]benzothiazol-3-yl]methylideneamino]oxyacetic acid",NA,"COC1=CC=C(C=C1)C2=C(N3C4=CC=CC=C4SC3=C2C=NOCC(=O)O)C=NOCC(=O)O","JIJSAPFXFNLIIR-JTZQCBLNSA-N",9572136,NA,"PDBC17275","704595","Present",NA,NA
+"17276","2-[(E)-[1-[3-(4-Methylanilino)-3-oxo-propanoyl]-3,5-diphenyl-pyrazol-4-yl]azo]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[1-[3-(4-Methylanilino)-3-oxo-propanoyl]-3,5-diphenyl-pyrazol-4-yl]azo]benzoic acid",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4C(=O)O)C5=CC=CC=C5","MTJOFYQFUWLWLQ-UHFFFAOYSA-N",369709,NA,"PDBC17276","641756","Present",NA,NA
+"17277","2-[(E)-[2,3-Dimethyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2,3-Dimethyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=CC=C3)[N+](=O)[O-])C.Cl","CKDLJFUPXMJYOM-CWSPIBBISA-N",9572548,NA,"PDBC17277","720144","Present",NA,NA
+"17278","2-[(E)-[2,3-Dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2,3-Dimethyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-])C.Cl","BCBPYUFZBCHQLG-CWSPIBBISA-N",9572550,NA,"PDBC17278","720147","Present",NA,NA
+"17279","2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxy-N,N-dimethylacetamide",NA,"CN(C)C(=O)CON=C1C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O","ZENOCHLMXUONHM-PTGBLXJZSA-N",135436304,NA,"PDBC17279","717843","Present",NA,NA
+"17280","2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, 2-[[[2-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)...",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCC(=O)N","RJDWQBIGYGWRAY-CJLVFECKSA-N",135436303,NA,"PDBC17280","717842","Present",NA,NA
+"17281","2-[(E)-[2-(4-Chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2-(4-Chloro-3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methylideneamino]guanidine;hydrochloride",NA,"C1=CC2=NC(=C(N2C=C1)C=NN=C(N)N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-].Cl","XBWFASOQFKEYKD-BTSUEJIHSA-N",24205073,NA,"PDBC17281","734179","Present",NA,NA
+"17282","2-[(E)-[2-(4-Chloro-3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2-(4-Chloro-3-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino]guanidine;hydrochloride",NA,"C1=CC=C2C(=C1)N3C(=C(N=C3S2)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","VNQDABRFGFINOQ-LQGGPMKRSA-N",24204557,NA,"PDBC17282","732182","Present",NA,NA
+"17283","2-[(E)-[2-Chloro-6-(3,6-dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2-Chloro-6-(3,6-dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N.Cl","DCFFBRZUBNBVIK-JKEJZTEDSA-N",9572615,NA,"PDBC17283","722866","Present",NA,NA
+"17284","2-[(E)-[2-Chloro-6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2-Chloro-6-(4-chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N)[N+](=O)[O-])Cl.Cl","ZRPFPSBIWKABOK-BLSWVXOOSA-N",9572619,NA,"PDBC17284","722868","Present",NA,NA
+"17285","2-[(E)-[2-Chloro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2-Chloro-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1=CC(=CC=C1C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N)[N+](=O)[O-].Cl","ULUHQSBBWXVOGZ-YAKHFBBESA-N",9572530,NA,"PDBC17285","720135","Present",NA,NA
+"17286","2-[(E)-[2-Methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2-Methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CC(=CC=C3)[N+](=O)[O-])C=NN=C(N)N.Cl","NHNCOMYJWGQWGL-ZDEOBDHWSA-N",9572625,NA,"PDBC17286","722871","Present",NA,NA
+"17287","2-[(E)-[2-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)[N+](=O)[O-])C=NN=C(N)N.Cl","IBUINFFXLYSXIK-ZDEOBDHWSA-N",9572534,NA,"PDBC17287","720137","Present",NA,NA
+"17288","2-[(E)-[2-[(E)-(2-Hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[2-[(E)-(2-Hydroxyphenyl)methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]phenol",NA,"C1=CC=C(C(=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC=CC=C5O)O","PQNJPFOPMSRZMH-ASIDMNOUSA-N",135505247,NA,"PDBC17288","708417","Present",NA,NA
+"17289","2-[(E)-[3-Methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[3-Methyl-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CSC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=CC=C3)[N+](=O)[O-].Cl","NBXGZHXXNAEADY-ZDEOBDHWSA-N",9572538,NA,"PDBC17289","720139","Present",NA,NA
+"17290","2-[(E)-[3-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[3-Methyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CSC2=NC(=C(N12)C=NN=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-].Cl","HVMUZPRGTARBTF-ZDEOBDHWSA-N",9572540,NA,"PDBC17290","720140","Present",NA,NA
+"17291","2-[(E)-[5-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-4,11-diphenyl-1,3,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[5-[(E)-(Diaminomethylidenehydrazinylidene)methyl]-4,11-diphenyl-1,3,6,10-tetrazatricyclo[7.3.0.02,6]dodeca-2,4,7,9,11-pentaen-12-yl]methylideneamino]guanidine;hydrochloride",NA,"C1=CC=C(C=C1)C2=C(N3C=CC4=NC(=C(N4C3=N2)C=NN=C(N)N)C5=CC=CC=C5)C=NN=C(N)N.Cl","JGDMDDPVJWCJJS-VHPMZGPXSA-N",9572528,NA,"PDBC17291","720134","Present",NA,NA
+"17292","2-[(E)-[6-(2,4-Dichloro-5-methylphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,4-Dichloro-5-methylphenyl)-2-ethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CCC1=CN2C(=C(N=C2S1)C3=C(C=C(C(=C3)C)Cl)Cl)C=NN=C(N)N.Cl","MJKNHJRONUHVMF-XLDILFPASA-N",9572664,NA,"PDBC17292","723553","Present",NA,NA
+"17293","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine",NA,"C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-]","JIWYWOKVQLKWSD-BLLMUTORSA-N",16099260,NA,"PDBC17293","722867","Present",NA,NA
+"17294","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-])C.Cl","UDKVLEBRBOKCJV-BKBNNMJSSA-N",9572631,NA,"PDBC17294","722877","Present",NA,NA
+"17295","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","WPXMNLJNUHFLHO-RLNUVCJQSA-N",9572623,NA,"PDBC17295","722870","Present",NA,NA
+"17296","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CCCC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","BVNBBGJETFLXMG-XLDILFPASA-N",9572658,NA,"PDBC17296","723550","Present",NA,NA
+"17297","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CSC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-].Cl","QDZZJBTYRIBDJW-RLNUVCJQSA-N",9572629,NA,"PDBC17297","722873","Present",NA,NA
+"17298","2-[(E)-[6-(2,4-Dichloro-5-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720142///NSC722864",NA,"C1=CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC(=C(C=C3Cl)Cl)[N+](=O)[O-].Cl","FADUUPOYPWUNTI-RZFZGDDESA-N",9572544,NA,"PDBC17298","720142///722864","Present",NA,NA
+"17299","2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=C(SC(=C3)Cl)Cl.Cl","DIRJYKYODNDOCZ-CQCNNJTASA-N",24204547,NA,"PDBC17299","732177","Present",NA,NA
+"17300","2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=C(SC(=C3)Cl)Cl)C=NN=C(N)N.Cl","BTASPSHRDHROMG-XYKFJBIISA-N",24204553,NA,"PDBC17300","732180","Present",NA,NA
+"17301","2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,5-Dichlorothiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1=CSC2=NC(=C(N21)C=NN=C(N)N)C3=C(SC(=C3)Cl)Cl.Cl","SUWSJVKZXQFVBW-CQCNNJTASA-N",24204555,NA,"PDBC17301","732181","Present",NA,NA
+"17302","2-[(E)-[6-(2,5-Dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,5-Dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"COC1=CC(=C(C=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)OC)[N+](=O)[O-].Cl","BMSHXEIARYQJKV-CWSPIBBISA-N",9572735,NA,"PDBC17302","725093","Present",NA,NA
+"17303","2-[(E)-[6-(2,5-Dimethoxycyclohexyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,5-Dimethoxycyclohexyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"COC1CCC(C(C1)C2=C(N3C=CSC3=N2)C=NN=C(N)N)OC.Cl","QEMSOLUFXHXBKV-JUIXXEQESA-N",24202943,NA,"PDBC17303","726317","Present",NA,NA
+"17304","2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CC(=C(S1)C)C2=C(N3CCSC3=N2)C=NN=C(N)N.Cl","MNUZKYZFGNCNPZ-FPUQOWELSA-N",24203625,NA,"PDBC17304","728904","Present",NA,NA
+"17305","2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CC(=C(S1)C)C2=C(N3C=C(SC3=N2)C)C=NN=C(N)N.Cl","PHHLSLAKSIUNQU-YAKHFBBESA-N",24203627,NA,"PDBC17305","728905","Present",NA,NA
+"17306","2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2,5-Dimethylthiophen-3-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CC(=C(S1)C)C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","SQUXYGJAUQYQPC-FPUQOWELSA-N",24203633,NA,"PDBC17306","728908","Present",NA,NA
+"17307","2-[(E)-[6-(2-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(2-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine",NA,"C1=CC=C(C(=C1)C2=C(N3C=CSC3=N2)C=NN=C(N)N)[N+](=O)[O-]","SZOKNYRTKRGJMD-FRKPEAEDSA-N",9572238,NA,"PDBC17307","709135","Present",NA,NA
+"17308","2-[(E)-[6-(3,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(3,5-Dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"COC1=CC(=CC(=C1)C2=C(N3C=CSC3=N2)C=NN=C(N)N)OC.Cl","CVRKZZOTJFCHGZ-JUIXXEQESA-N",24204565,NA,"PDBC17308","732186","Present",NA,NA
+"17309","2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=C(C=CC(=C3[N+](=O)[O-])OC)OC)C.Cl","RBADQYRHNUBOFV-YYJLQXKGSA-N",11430941,NA,"PDBC17309","722876","Present",NA,NA
+"17310","2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3[N+](=O)[O-])OC)OC)C=NN=C(N)N.Cl","FNPZLAUQCHRTCG-HKPLGMKZSA-N",9572621,NA,"PDBC17310","722869","Present",NA,NA
+"17311","2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CCCC1=CN2C(=C(N=C2S1)C3=C(C=CC(=C3[N+](=O)[O-])OC)OC)C=NN=C(N)N.Cl","BTRYYQOYOMBURH-LQGGPMKRSA-N",9572654,NA,"PDBC17311","723548","Present",NA,NA
+"17312","2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(3,6-Dimethoxy-2-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"COC1=C(C(=C(C=C1)OC)[N+](=O)[O-])C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","FLEIJSKZWPYODX-CWSPIBBISA-N",9572542,NA,"PDBC17312","720141","Present",NA,NA
+"17313","2-[(E)-[6-(3-Nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(3-Nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC(=CC=C3)[N+](=O)[O-].Cl","SAQNYLBXGRPXKG-OYXUYBEVSA-N",9572613,NA,"PDBC17313","722865","Present",NA,NA
+"17314","2-[(E)-[6-(3-Nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(3-Nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CCCC1=CN2C(=C(N=C2S1)C3=CC(=CC=C3)[N+](=O)[O-])C=NN=C(N)N.Cl","HEXABTQHVPFUEO-BTSUEJIHSA-N",9572660,NA,"PDBC17314","723551","Present",NA,NA
+"17315","2-[(E)-[6-(4-Aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Aminophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine",NA,"C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)N","ZQVQBYSSJORMHW-REZTVBANSA-N",9572245,NA,"PDBC17315","709139","Present",NA,NA
+"17316","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-].Cl","BICOAXDCPVRLBH-ZDEOBDHWSA-N",16099315,NA,"PDBC17316","728901","Present",NA,NA
+"17317","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=C(SC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C.Cl","JDDWMIJCLFFPHZ-HKPLGMKZSA-N",9572546,NA,"PDBC17317","720143","Present",NA,NA
+"17318","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=NN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","OIMLPWTXHVTQDZ-YAKHFBBESA-N",24205071,NA,"PDBC17318","734178","Present",NA,NA
+"17319","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","UOUYQWQYDAGGCM-RZFZGDDESA-N",9572532,NA,"PDBC17319","720136","Present",NA,NA
+"17320","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CCCC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NN=C(N)N.Cl","DTQYABBAYFJVIK-YYJLQXKGSA-N",9572656,NA,"PDBC17320","723549","Present",NA,NA
+"17321","2-[(E)-[6-(4-Chloro-3-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Chloro-3-nitrophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CC1=CSC2=NC(=C(N12)C=NN=C(N)N)C3=CC(=C(C=C3)Cl)[N+](=O)[O-].Cl","BKPDOUDLTNVZMT-RZFZGDDESA-N",9572536,NA,"PDBC17321","720138","Present",NA,NA
+"17322","2-[(E)-[6-(4-Chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Chloro-3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1=CC(=C(C=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)[N+](=O)[O-])Cl.Cl","DERWTJGOMRFXEM-ZDEOBDHWSA-N",9572243,NA,"PDBC17322","709138","Present",NA,NA
+"17323","2-[(E)-[6-(4-Nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC=C(C=C3)[N+](=O)[O-].Cl","DJZBEVFNUNEDMH-OYXUYBEVSA-N",9572241,NA,"PDBC17323","709137","Present",NA,NA
+"17324","2-[(E)-[6-(4-Nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Nitrophenyl)-2-propylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"CCCC1=CN2C(=C(N=C2S1)C3=CC=C(C=C3)[N+](=O)[O-])C=NN=C(N)N.Cl","FFYOHYMEMSLTDO-BTSUEJIHSA-N",9572662,NA,"PDBC17324","723552","Present",NA,NA
+"17325","2-[(E)-[6-(4-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[6-(4-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)[N+](=O)[O-].Cl","PPWFLEPSNYTIQD-OYXUYBEVSA-N",9572239,NA,"PDBC17325","709136","Present",NA,NA
+"17326","2-[(E)-[Methyl(2-quinolyl)hydrazono]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[Methyl(2-quinolyl)hydrazono]methyl]phenol",NA,"CN(C1=NC2=CC=CC=C2C=C1)N=CC3=CC=CC=C3O","CFYWZXMOVDVVDV-LDADJPATSA-N",135443555,NA,"PDBC17326","168467","Present",NA,NA
+"17327","2-[(E)-[[1-(4-Chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[[1-(4-Chlorophenyl)-3-methylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenol",NA,"CC1=NN(C2=NC=NC(=C12)NN=CC3=CC=CC=C3O)C4=CC=C(C=C4)Cl","NYGLIEONIATARD-AUEPDCJTSA-N",136040127,NA,"PDBC17327","753018","Present",NA,NA
+"17328","2-[(E)-[[4,6-Bis[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-[[4,6-Bis[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol",NA,"C1=CC=C(C(=C1)C=NNC2=NC(=NC(=N2)NN=CC3=CC=CC=C3O)NN=CC4=CC=CC=C4O)O","QPNBYBYEJDXUGU-FLHPZXMHSA-N",135509181,NA,"PDBC17328","669392","Present",NA,NA
+"17329","2-[(Hydroxymethyl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[(hydroxymethyl)amino]-",NA,"C(CO)NCO","NWPCFCBFUXXJIE-UHFFFAOYSA-N",61929,NA,"PDBC17329","614809","Present",NA,NA
+"17330","2-[(Isopropylsulfonyl)oxy]-6-nitro-1H-isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Isopropylsulfonyl)oxy]-6-nitro-1H-isoindole-1,3-dione",NA,"CC(C)S(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)[N+](=O)[O-]","MOVHDWSRFWRKKW-UHFFFAOYSA-N",364536,NA,"PDBC17330","630958","Present",NA,NA
+"17331","2-[(Methyl)[bis(aziridin-1-yl)phosphinyl]amino]acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glycine, N-[bis(1-aziridinyl)phosphinyl]-N-methyl, methy...",NA,"CN(CC(=O)OC)P(=O)(N1CC1)N2CC2","NWJYUSXQHDBCNK-UHFFFAOYSA-N",357383,NA,"PDBC17331","615831","Present",NA,NA
+"17332","2-[(Phenylamino)methyl]benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Phenylamino)methyl]benzene-1,4-diol",NA,"C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","ZHXUBXUTTITGJH-UHFFFAOYSA-N",403336,NA,"PDBC17332","718125","Present",NA,NA
+"17333","2-[(Phenylcarbamothioylamino)methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Phenylcarbamothioylamino)methylene]propanediamide",NA,"C1=CC=C(C=C1)NC(=S)NC=C(C(=O)N)C(=O)N","MMZRAMCNUYJSPS-UHFFFAOYSA-N",3004583,NA,"PDBC17333","658500","Present",NA,NA
+"17334","2-[(Propionyloxy)methyl]-5,3-b] carbazolium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Propionyloxy)methyl]-5,11-dimethyl-6H-pyrido[4,3-b] ...",NA,"CCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.[I-]","XOQRSRCEXZZQKI-UHFFFAOYSA-N",365248,NA,"PDBC17334","632623","Present",NA,NA
+"17335","2-[(Pyridine-4-carbothioylamino)methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[(4-Pyridinylcarbothioyl)amino]methylene}malonamide",NA,"C1=CN=CC=C1C(=S)NC=C(C(=O)N)C(=O)N","XCARYRZIDMBWCV-UHFFFAOYSA-N",3004530,NA,"PDBC17335","658302","Present",NA,NA
+"17336","2-[(S)-1-[(4-Methylphenyl)sulfinylamino]butyl]-3,3-diphenylpropenoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(S)-1-[(4-Methylphenyl)sulfinylamino]butyl]-3,3-diphenylpropenoic acid ethyl ester",NA,"CCCC(C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OCC)NS(=O)C3=CC=C(C=C3)C","SETZUPSMDRZRHJ-CPMFFWQLSA-N",5471819,NA,"PDBC17336","714074","Present",NA,NA
+"17337","2-[(Tert-butylamino)(phenyl)methyl]-4,4-dimethylnaphthalen-1(4h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1(4H)-Naphthalenone, 2-[.alpha.-(tert-butylamino)benzyl]...",NA,"CC1(C=C(C(=O)C2=CC=CC=C21)C(C3=CC=CC=C3)NC(C)(C)C)C","UAZPYFWXSMGWHR-UHFFFAOYSA-N",288969,NA,"PDBC17337","150347","Present",NA,NA
+"17338","2-[(Tert-butylamino)-phenylmethyl]-1-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Tert-butylamino)(phenyl)methyl]-1-phenylprop-2-en-1-one",NA,"CC(C)(C)NC(C1=CC=CC=C1)C(=C)C(=O)C2=CC=CC=C2","UNCAQULQGYCEFW-UHFFFAOYSA-N",268761,NA,"PDBC17338","109155","Present",NA,NA
+"17339","2-[(Z)-(10-Chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-(10-Chloroanthracen-9-yl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Cl)C=NN=C(N)NO","WIWXYOQIKBEVIB-MYOVXYCFSA-N",9569917,NA,"PDBC17339","625733","Present",NA,NA
+"17340","2-[(Z)-(2-Butylsulfanyl-5-chloroimidazol-4-ylidene)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-(2-Butylsulfanyl-5-chloroimidazol-4-ylidene)methyl]phenol",NA,"CCCCSC1=NC(=CC2=CC=CC=C2O)C(=N1)Cl","ZYEYWKKGULTKEU-LUAWRHEFSA-N",135505213,NA,"PDBC17340","704872","Present",NA,NA
+"17341","2-[(Z)-(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-(2-Chloro-5-methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride",NA,"CC1=CC2=C(C=C1OC)C(=C(N2)Cl)C=NN=C(N)N.Cl","GMUMZGXBVRCMDO-ZTQBIIPRSA-N",135585534,NA,"PDBC17341","732188","Present",NA,NA
+"17342","2-[(Z)-(3-Phenylmethoxyphenyl)methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-(3-Phenylmethoxyphenyl)methylideneamino]guanidine",NA,"C1=CC=C(C=C1)COC2=CC=CC(=C2)C=NN=C(N)N","OYMSXHFUKGKODW-ZDLGFXPLSA-N",5539541,NA,"PDBC17342","68149","Present",NA,NA
+"17343","2-[(Z)-(4-Phenylmethoxyphenyl)methylideneamino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-(4-Phenylmethoxyphenyl)methylideneamino]guanidine",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)C=NN=C(N)N","TUWASWOKSINXMU-ZDLGFXPLSA-N",5539543,NA,"PDBC17343","68150","Present",NA,NA
+"17344","2-[(Z)-(5-Methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-(5-Methoxy-6-methyl-1H-indol-3-yl)methylideneamino]guanidine;hydrochloride",NA,"CC1=CC2=C(C=C1OC)C(=CN2)C=NN=C(N)N.Cl","OJRDZXADRDRLAI-NKBLJONXSA-N",135585536,NA,"PDBC17344","732189","Present",NA,NA
+"17345","2-[(Z)-1,4-Dihydroxy-2-oxo-4-phenylbut-3-enylidene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-1,4-Dihydroxy-2-oxo-4-phenylbut-3-enylidene]propanediamide",NA,"C1=CC=C(C=C1)C(=CC(=O)C(=C(C(=O)N)C(=O)N)O)O","GGXAHGZCNAQJIH-VURMDHGXSA-N",54685707,NA,"PDBC17345","707067","Present",NA,NA
+"17346","2-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl]thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl]thiazol-4-one",NA,"C1C(=O)N=C(S1)C(=CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3","YQGHOMAOVPGAMO-LCYFTJDESA-N",5467406,NA,"PDBC17346","652048","Present",NA,NA
+"17347","2-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-methoxyphenyl)vinyl]thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-methoxyphenyl)vinyl]thiazol-4-one",NA,"COC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)C4=NC(=O)CS4","MKLKMCAFEKLPRE-UVTDQMKNSA-N",5467405,NA,"PDBC17347","652047","Present",NA,NA
+"17348","2-[(Z)-1-(Benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-1-(Benzenesulfonyl)-2-(4-nitrophenyl)ethenyl]-5-nitrofuran",NA,"C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(O3)[N+](=O)[O-]","GUAVNJZMDUKXQD-ATVHPVEESA-N",6510977,NA,"PDBC17348","291050","Present",NA,NA
+"17349","2-[(Z)-1-Acetoxy-2-cyano-3-hydroxy-3-oxo-prop-1-enyl]-6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-3,4-dihydro-2H-pyridine-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-1-Acetyloxy-2-carboxy-2-cyanoethenyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid",NA,"CC(=O)OC(=C(C#N)C(=O)O)C1C(C(C=C(N1C2=CC=NC=C2)C3=CC=CO3)C4=CC=CC=C4[N+](=O)[O-])C(=O)O","QMPVUMFVHBLHOM-PLRJNAJWSA-N",3005339,NA,"PDBC17349","692581","Present",NA,NA
+"17350","2-[(Z)-1-[2-Oxo-4-[(E)-styryl]chromen-7-yl]oxy-2-phenyl-vinyl]-3,1-benzoxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-1-[2-Oxo-4-[(E)-styryl]chromen-7-yl]oxy-2-phenyl-vinyl]-3,1-benzoxazin-4-one",NA,"C1=CC=C(C=C1)C=CC2=CC(=O)OC3=C2C=CC(=C3)OC(=CC4=CC=CC=C4)C5=NC6=CC=CC=C6C(=O)O5","YTULQCIFFQVHLB-QLLPQLFKSA-N",5804257,NA,"PDBC17350","643010","Present",NA,NA
+"17351","2-[(Z)-1-[4-(4-Acetylphenoxy)phenyl]ethylideneamino]guanidine;nitric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanidine, [[p-(p-acetylphenoxy)-.alpha.-methylbenzylide...",NA,"CC(=NN=C(N)N)C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C.[N+](=O)(O)[O-]","GBITZLYLIJJIDW-FZLYBSHOSA-N",20844176,NA,"PDBC17351","97911","Present",NA,NA
+"17352","2-[(Z)-2-(3,4,5-Trimethoxyphenyl)ethenyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)2-[2-(3,4,5-Trimethoxyphenyl)ethenyl]pyridine",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=CC=N2","XUXIXPBKILBJGB-FPLPWBNLSA-N",5388743,NA,"PDBC17352","638394","Present",NA,NA
+"17353","2-[(Z)-2-(4-Chlorophenyl)ethenyl]-1-methylquinolin-1-ium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-2-(4-Chlorophenyl)ethenyl]-1-methylquinolin-1-ium iodide",NA,"C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)Cl.[I-]","JZIONOMFZALCOC-JCTPKUEWSA-M",54598850,NA,"PDBC17353","10520","Present",NA,NA
+"17354","2-[(Z)-2-(Benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-2-(Benzenesulfonyl)-2-(5-nitrofuran-2-yl)ethenyl]-5-nitrofuran",NA,"C1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(O3)[N+](=O)[O-]","STDKPKUCUGOEAT-UVTDQMKNSA-N",6072945,NA,"PDBC17354","291049","Present",NA,NA
+"17355","2-[(Z)-2-Carboxy-1-(6-nitro-1H-benzimidazol-2-yl)ethenyl]-4-chlorophenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(5-chloro-2-hydroxyphenyl)-3-(5-nitro-1H-benzo[d]i...",NA,"C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)C(=CC(=O)O)C3=C(C=CC(=C3)Cl)[O-]","LQOFHEZGFCOFDN-XFFZJAGNSA-M",155812247,NA,"PDBC17355","791026","Present",NA,NA
+"17356","2-[(Z)-3-Chloro-1,3-dinitro-prop-2-enylidene]-1,3-dihydrobenzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-3-Chloro-1,3-dinitro-prop-2-enylidene]-1,3-dihydrobenzimidazole",NA,"C1=CC=C2C(=C1)NC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])N2","OQTBGTQYMKJGSD-WEVVVXLNSA-N",5775992,NA,"PDBC17356","673153","Present",NA,NA
+"17357","2-[(Z)-4-Hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-4-Hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione",NA,"C1=NN(C(=O)NC1=O)CC=CCO","GQIUPNCBCINRQN-UPHRSURJSA-N",5468891,NA,"PDBC17357","678981","Present",NA,NA
+"17358","2-[(Z)-6-(2,3,4,5,6-Pentafluorophenyl)hex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-(2,3,4,5,6-Pentafluorophenyl)hex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=C(C(=C(C(=C2F)F)F)F)F)N","JVPLDIVSKCIRML-UPHRSURJSA-N",24205408,NA,"PDBC17358","735437","Present",NA,NA
+"17359","2-[(Z)-6-(2,4-Dichlorophenyl)hex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-(2,4-Dichlorophenyl)hex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=C(C=C(C=C2)Cl)Cl)N","TUJSLXBPJOQHNT-UPHRSURJSA-N",24204956,NA,"PDBC17359","733693","Present",NA,NA
+"17360","2-[(Z)-6-(2,4-Difluorophenyl)hex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-(2,4-Difluorophenyl)hex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=C(C=C(C=C2)F)F)N","PABVIXOFQRSXOC-UPHRSURJSA-N",24204955,NA,"PDBC17360","733692","Present",NA,NA
+"17361","2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2N)N","JVRFMOVGPUGXCU-UPHRSURJSA-N",11311467,NA,"PDBC17361","727180","Present",NA,NA
+"17362","2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]benzonitrile",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2N)C#N","FXQSMCFKUSIEOT-UPHRSURJSA-N",10378341,NA,"PDBC17362","725624","Present",NA,NA
+"17363","2-[(Z)-6-(2-Fluorophenyl)hex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-(2-Fluorophenyl)hex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2F)N","AFNOGZGAZZYSRQ-UPHRSURJSA-N",24204954,NA,"PDBC17363","733691","Present",NA,NA
+"17364","2-[(Z)-6-(2-Methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-(2-Methoxyphenyl)hex-3-en-1,5-diynyl]benzonitrile",NA,"COC1=CC=CC=C1C#CC=CC#CC2=CC=CC=C2C#N","RAZCVFMGVQSDGL-IHWYPQMZSA-N",5473138,NA,"PDBC17364","724258","Present",NA,NA
+"17365","2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]aniline",NA,"CSC1=CC=CC=C1C#CC=CC#CC2=CC=CC=C2N","ABGMGRWKYRXUSZ-IHWYPQMZSA-N",24203586,NA,"PDBC17365","728666","Present",NA,NA
+"17366","2-[(Z)-6-(2-Nitrophenyl)hex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-(2-Nitrophenyl)hex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2[N+](=O)[O-])N","MINDMMVLVQSNEF-UPHRSURJSA-N",24203905,NA,"PDBC17366","730091","Present",NA,NA
+"17367","2-[(Z)-6-Phenylhex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-Phenylhex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C=C1)C#CC=CC#CC2=CC=CC=C2N","HDUUPYWKPHLUJG-UPHRSURJSA-N",24203587,NA,"PDBC17367","728667","Present",NA,NA
+"17368","2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=NC=CN=C2)N","WQIICJJBZWLNQM-UPHRSURJSA-N",24203529,NA,"PDBC17368","728456","Present",NA,NA
+"17369","2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]benzonitrile",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=NC=CN=C2)C#N","QKPFOYDOODMTLQ-UPHRSURJSA-N",10083690,NA,"PDBC17369","725622","Present",NA,NA
+"17370","2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-Pyrazin-2-ylhex-3-en-1,5-diynyl]pyrazine",NA,"C1=CN=C(C=N1)C#CC=CC#CC2=NC=CN=C2","UMZOOOHWQLIHOG-UPHRSURJSA-N",11436194,NA,"PDBC17370","731647","Present",NA,NA
+"17371","2-[(Z)-6-Pyridin-2-ylhex-3-en-1,5-diynyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-Pyridin-2-ylhex-3-en-1,5-diynyl]benzonitrile",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=N2)C#N","XONMYKWSZBFFNT-UPHRSURJSA-N",5473139,NA,"PDBC17371","724259","Present",NA,NA
+"17372","2-[(Z)-6-Thiophen-2-ylhex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-Thiophen-2-ylhex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CS2)N","AGQIHONMKISVDX-UPHRSURJSA-N",11402431,NA,"PDBC17372","728594","Present",NA,NA
+"17373","2-[(Z)-6-Thiophen-2-ylhex-3-en-1,5-diynyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-Thiophen-2-ylhex-3-en-1,5-diynyl]benzonitrile",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CS2)C#N","CVNMRRVMSVVLJJ-UPHRSURJSA-N",11357398,NA,"PDBC17373","725623","Present",NA,NA
+"17374","2-[(Z)-6-[2-(Trifluoromethoxy)phenyl]hex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-[2-(Trifluoromethoxy)phenyl]hex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2OC(F)(F)F)N","CKTZYCPUGFAICQ-UPHRSURJSA-N",24206045,NA,"PDBC17374","737784","Present",NA,NA
+"17375","2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2N)C(F)(F)F","RIVMZDYIDPOHHA-UPHRSURJSA-N",24203959,NA,"PDBC17375","730269","Present",NA,NA
+"17376","2-[(Z)-Ethylideneamino]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639675",NA,"CC=NN1C(=O)C2=CC=CC=C2C1=O","NSIJWEIEGUCALU-FUQNDXKWSA-N",5823964,NA,"PDBC17376","639675","Present",NA,NA
+"17377","2-[(Z)-Heptadec-10-enyl]-6-methoxybenzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-Heptadec-10-enyl]-6-methoxy-benzene-1,4-diol",NA,"CCCCCCC=CCCCCCCCCCC1=C(C(=CC(=C1)O)OC)O","BDWQNYPENCTULP-HJWRWDBZSA-N",5386673,NA,"PDBC17377","615495","Present",NA,NA
+"17378","2-[(Z)-Heptadec-10-enyl]-6-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-Heptadec-10-enyl]-6-methoxyphenol",NA,"CCCCCCC=CCCCCCCCCCC1=C(C(=CC=C1)OC)O","IBEUJKXFTKVAMQ-HJWRWDBZSA-N",5351346,NA,"PDBC17378","617540","Present",NA,NA
+"17379","2-[(Z)-Methoxyimino]-2-[2-[[2-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-O-methyloxyimino-2-[2-(trifluoromethyl)phenox...",NA,"COC(=O)C(=NOC)C1=CC=CC=C1COC2=CC=CC=C2C(F)(F)F","BMHRZODGWOUWQK-CJLVFECKSA-N",6520923,NA,"PDBC17379","720765","Present",NA,NA
+"17380","2-[(Z)-Methoxyimino]-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-Methoxyimino]-2-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]acetic acid methyl ester",NA,"COC(=O)C(=NOC)C1=CC=CC=C1COC2=CC=CC(=C2)C(F)(F)F","OJTNAYGNGOALRM-CJLVFECKSA-N",6520817,NA,"PDBC17380","718135","Present",NA,NA
+"17381","2-[(Z)-[(5E)-5-(1,3-Benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-[(5E)-5-(1,3-Benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]phenol",NA,"CC1=NN(C(=NC2=NC3=CC=CC=C3S2)C1=CC4=CC=CC=C4O)C5=CC(=CC=C5)Cl","FYTHPZABKHVCFU-LQQRMMAFSA-N",135436210,NA,"PDBC17381","713650","Present",NA,NA
+"17382","2-[(Z)-[(E)-3-(4-Methylphenyl)-1-phenylprop-2-enylidene]amino]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-[(E)-3-(4-Methylphenyl)-1-phenylprop-2-enylidene]amino]guanidine",NA,"CC1=CC=C(C=C1)C=CC(=NN=C(N)N)C2=CC=CC=C2","XZHIIDSBDZACFH-TXXYZZINSA-N",9561739,NA,"PDBC17382","69917","Present",NA,NA
+"17383","2-[(Z)-[2-Chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-[2-Chloro-6-(3-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=C(SC3=N2)Cl)C=NN=C(N)N.Cl","RVIYDDDNYAFDSO-PXQSGXIUSA-N",54612614,NA,"PDBC17383","722874","Present",NA,NA
+"17384","2-[(Z)-[2-Ethylsulfanyl-5-(4-methylanilino)imidazol-4-ylidene]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-[2-Ethylsulfanyl-5-(4-methylanilino)imidazol-4-ylidene]methyl]phenol",NA,"CCSC1=NC(=CC2=CC=CC=C2O)C(=N1)NC3=CC=C(C=C3)C","ODZNYNIONCCVMA-VBKFSLOCSA-N",135494019,NA,"PDBC17384","691981","Present",NA,NA
+"17385","2-[(Z)-[5-Ethyl-2-[(2E)-2-(2-furylmethylene)hydrazino]imidazol-4-ylidene]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-[5-Ethyl-2-[(2E)-2-(2-furylmethylene)hydrazino]imidazol-4-ylidene]methyl]phenol",NA,"CCC1=NC(=NC1=CC2=CC=CC=C2O)NN=CC3=CC=CO3","FKJSNOAIIYCSDS-ODXRKRKHSA-N",135484734,NA,"PDBC17385","697679","Present",NA,NA
+"17386","2-[(Z)-[6-(3-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-[6-(3-Nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine;hydrochloride",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","IRWMHTWBYYUWMR-GBKTVRHWSA-N",54612616,NA,"PDBC17386","722875","Present",NA,NA
+"17387","2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-",NA,"CC(=CCCC(C)(C1CCC2(C1CCC3C2(C(CC4C3(CCC(C4(C)C)O)C)O)C)C)OC5C(C(C(C(O5)CO)O)O)O)CO","QAXBECHONHXMHS-IOHXJDLKSA-N",5468691,NA,"PDBC17387","674624","Present",NA,NA
+"17388","2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-8-(hydroxymethyl)-4,4,10,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-8-(hydroxymethyl)-4,4,10,14-tetramethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-",NA,"CC(=CCCC(C)(C1CCC2(C1CCC3C2(C(CC4C3(CCC(C4(C)C)O)C)O)CO)C)OC5C(C(C(C(O5)CO)O)O)O)CO","HGYRBMZHJGVFPT-BKWUIANHSA-N",5468692,NA,"PDBC17388","674625","Present",NA,NA
+"17389","2-[1,1'-Biphenyl]-4-yl-2-oxoethyl 2-(4-(cyclohexylmethoxy)phenoxy)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1,1'-Biphenyl]-4-yl-2-oxoethyl 2-(4-(cyclohexylmethoxy)phenoxy)propanoate",NA,"CC(C(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2)OC3=CC=C(C=C3)OCC4CCCCC4","NPPFEMJOUNELEJ-UHFFFAOYSA-N",375846,NA,"PDBC17389","656099","Present",NA,NA
+"17390","2-[1,1'-Biphenyl]-4-yl-2-vinyl-1,3-dioxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1,1'-Biphenyl]-4-yl-2-vinyl-1,3-dioxolane",NA,"C=CC1(OCCO1)C2=CC=C(C=C2)C3=CC=CC=C3","HYGNNRLZNCREHV-UHFFFAOYSA-N",383347,NA,"PDBC17390","671461","Present",NA,NA
+"17391","2-[1,3-Bis(3,5-dimethylphenoxy)propan-2-yloxy]-N,N-diethylethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1,3-Bis(3,5-dimethylphenoxy)propan-2-yloxy]-N,N-diethylethanamine;hydrochloride",NA,"CCN(CC)CCOC(COC1=CC(=CC(=C1)C)C)COC2=CC(=CC(=C2)C)C.Cl","JXIZRKMFJFXGGX-UHFFFAOYSA-N",54598472,NA,"PDBC17391","15532","Present",NA,NA
+"17392","2-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl}acetic acid",NA,"C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)SCC(=O)O)Cl","AUWASCFGQNGISC-UHFFFAOYSA-N",403129,NA,"PDBC17392","717766","Present",NA,NA
+"17393","2-[1,3-Bis(4-methoxybenzoyl)indol-2-yl]-1,3-bis(4-methoxyphenyl)propane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1,3-Bis(4-methoxybenzoyl)-1h-indol-2-yl]-1,3-bis(4-methoxyphenyl)propane-1,3-dione",NA,"COC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)OC)C(C(=O)C5=CC=C(C=C5)OC)C(=O)C6=CC=C(C=C6)OC","JQAPMPAGZZETIG-UHFFFAOYSA-N",374854,NA,"PDBC17393","653278","Present",NA,NA
+"17394","2-[1,5-Bis(4-chlorophenyl)triazol-4-yl]-1,4,5,6-tetrahydropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2-[1,5-bis(4-chlorophenyl)-1H-1,2,3-triazol-...",NA,"C1CNC(=NC1)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","RSYAYAMTPOORGY-UHFFFAOYSA-N",371087,NA,"PDBC17394","645033","Present",NA,NA
+"17395","2-[1-(2-Fluorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(2-fluorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py...",NA,"C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC=NC=C4","RIXXYEKIEFXNKR-UHFFFAOYSA-N",155811215,NA,"PDBC17395","758376","Present",NA,NA
+"17396","2-[1-(2-Oxocyclopentyl)ethyl]cyclopentan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Bis-(2-oxo-cyclopentyl)-ethan",NA,"CC(C1CCCC1=O)C2CCCC2=O","YUCLXLUEJODABX-UHFFFAOYSA-N",380801,NA,"PDBC17396","666520","Present",NA,NA
+"17397","2-[1-(3,4-Dichlorobenzyl)-2-methyl-5-(methylsulfanyl)-1H-indol-3-yl]ethanamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(3,4-dichlorobenzyl)-2-methyl-5-(methylsulfanyl)-1H...",NA,"CC1=C(C2=C(N1CC3=CC(=C(C=C3)Cl)Cl)C=CC(=C2)SC)CCN.Cl","SLBDRLLHKFZTCD-UHFFFAOYSA-N",24182509,NA,"PDBC17397","17382","Present",NA,NA
+"17398","2-[1-(3-Chlorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(3-chlorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py...",NA,"C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC(=CC=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4","SURWQNOIRJCQCU-UHFFFAOYSA-N",155814551,NA,"PDBC17398","755295","Present",NA,NA
+"17399","2-[1-(3-Fluorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(3-fluorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py...",NA,"C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=CC(=C3)F)C(=O)C(=O)NC4=CC=NC=C4","FDWUAWNMERTXET-UHFFFAOYSA-N",155814561,NA,"PDBC17399","763595","Present",NA,NA
+"17400","2-[1-(3-Piperidin-1-ylpropyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{2-[1-(3-Piperidin-1-yl-propyl)-1H-indol-3-yl]-thiazol...",NA,"C1CCN(CC1)CCCN2C=C(C3=CC=CC=C32)C4=NC(=CS4)C5=CNC6=C5C=CC=N6","WVRBSSQHLKSGJZ-UHFFFAOYSA-N",155808744,NA,"PDBC17400","793995","Present",NA,NA
+"17401","2-[1-(4-(2-Pyrimidyl)piperazine)]-naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(4-(2-pyrimidyl)piperazine)]-naphthazarin",NA,"C1CN(CCN1C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C4=NC=CC=N4","RBQUNWQTRHCQEU-UHFFFAOYSA-N",438703,NA,"PDBC17401","659646","Present",NA,NA
+"17402","2-[1-(4-(4'-Acetophenone)piperazino)]-naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(4-(4'-acetophenone)piperazino)]-naphthazarin",NA,"CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC(=O)C4=C(C=CC(=C4C3=O)O)O","RQJRYRKHGIWNMD-UHFFFAOYSA-N",438711,NA,"PDBC17402","660636","Present",NA,NA
+"17403","2-[1-(4-Bromophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,5-dihydroxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(4-Bromophenyl)-3,5-dimethylpyrazol-4-yl]-1-(2,5-dihydroxyphenyl)ethanone",NA,"CC1=C(C(=NN1C2=CC=C(C=C2)Br)C)CC(=O)C3=C(C=CC(=C3)O)O","GYGWZXNSIUJGMP-UHFFFAOYSA-N",24204134,NA,"PDBC17403","730711","Present",NA,NA
+"17404","2-[1-(4-Bromophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-bromophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(pyr...",NA,"C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)Br)C(=O)C(=O)NC4=CC=NC=C4","HMHBJLKKSXBBQL-UHFFFAOYSA-N",155814546,NA,"PDBC17404","758381","Present",NA,NA
+"17405","2-[1-(4-Chlorobenzoyl)-5-methoxyindol-3-yl]-N-[[1-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]triazol-4-yl]methyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl)-N-((1-((...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CNC(=O)CC5=CN(C6=C5C=C(C=C6)OC)C(=O)C7=CC=C(C=C7)Cl","GSZVFFJMWSVRCR-BLWOOQNBSA-N",155806115,NA,"PDBC17405","800513","Present",NA,NA
+"17406","2-[1-(4-Chlorophenyl)-2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-yl]ethyl]sulfanylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"({1-(4-Chlorophenyl)-2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-yl]ethyl}sulfanyl)acetic acid",NA,"C1C(=O)NC(S1)(CC(C2=CC=C(C=C2)Cl)SCC(=O)O)C3=CC=C(C=C3)Cl","OPUXJICUYBTEKY-UHFFFAOYSA-N",403130,NA,"PDBC17406","717767","Present",NA,NA
+"17407","2-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]-5-methyl-4H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(4-Chlorophenyl)-4-hydroxypyrazole-3-carbonyl]-5-methyl-4H-pyrazol-3-one",NA,"CC1=NN(C(=O)C1)C(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl","YYLAODGMINXHOC-UHFFFAOYSA-N",46884840,NA,"PDBC17407","748377","Present",NA,NA
+"17408","2-[1-(4-Chlorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-chlorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py...",NA,"C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)C(=O)NC4=CC=NC=C4","MGYMSGQDZATSRV-UHFFFAOYSA-N",155808314,NA,"PDBC17408","758356","Present",NA,NA
+"17409","2-[1-(4-Fluorophenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-fluorophenylsulfonyl)-1H-indol-3-yl)-2-oxo-N-(py...",NA,"C1=CC=C2C(=C1)C(=CN2S(=O)(=O)C3=CC=C(C=C3)F)C(=O)C(=O)NC4=CC=NC=C4","WULNLKUELQDNHW-UHFFFAOYSA-N",155811237,NA,"PDBC17409","755273","Present",NA,NA
+"17410","2-[1-(4-Hydroxyphenyl)-3-[4-[4-[[3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)isoindol-1-yl]amino]phenyl]sulfonylanilino]isoindol-1-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(4-hydroxyphenyl)-3-[4-[4-[[3-(2-hydroxyphenyl)-3-(4-hydroxyphenyl)isoindol-1-yl]amino]phenyl]sulfonylanilino]isoindol-1-yl]phenol",NA,"C1=CC=C2C(=C1)C(=NC2(C3=CC=C(C=C3)O)C4=CC=CC=C4O)NC5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)NC7=NC(C8=CC=CC=C87)(C9=CC=C(C=C9)O)C1=CC=CC=C1O","NUIPNOYTCVCFBH-UHFFFAOYSA-N",392994,NA,"PDBC17410","694236","Present",NA,NA
+"17411","2-[1-(4-Methylphenyl)sulfonylindol-3-yl]-2-oxo-N-pyridin-4-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-oxo-N-(pyridin-4-yl)-2-(1-tosyl-1H-indol-3-yl)acetamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C(=O)C(=O)NC4=CC=NC=C4","DSQJLXLABSFRDQ-UHFFFAOYSA-N",155814544,NA,"PDBC17411","758357","Present",NA,NA
+"17412","2-[1-(5,6-Dimethoxy-1-oxo-indan-2-yl)-5,6-dimethoxy-3-oxo-inden-2-yl]isothiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(5,6-Dimethoxy-1-oxo-indan-2-yl)-5,6-dimethoxy-3-oxo-inden-2-yl]isothiourea",NA,"CO.COC1=C(C=C2C(=C1)CC(C2=O)C3=C(C(=O)C4=CC(=C(C=C43)OC)OC)SC(=N)N)OC","VWNKKALAMAVQLH-UHFFFAOYSA-N",372825,NA,"PDBC17412","648487","Present",NA,NA
+"17413","2-[1-(6,7-Dimethyl-1-phenyl-pyrazolo[4,3-b]quinoxalin-3-yl)-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(6,7-Dimethyl-1-phenylpyrazolo[4,3-b]quinoxalin-3-yl)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3C4=CC=CC=C4)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O","OGXYVTPISIOQIJ-UHFFFAOYSA-N",365571,NA,"PDBC17413","633366","Present",NA,NA
+"17414","2-[1-(Benzenesulfonyl)-2-phenylindol-3-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Phenyl-1-(phenylsulfonyl)-1H-indol-3-yl]acetonitrile",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)CC#N","GWAZUEMNSNAMFP-UHFFFAOYSA-N",374835,NA,"PDBC17414","653262","Present",NA,NA
+"17415","2-[1-(Benzenesulfonyl)indol-3-yl]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(Phenylsulfonyl)-1H-indol-3-yl]propanenitrile",NA,"CC(C#N)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3","CWCRFKFOZXOPKE-UHFFFAOYSA-N",374838,NA,"PDBC17415","653264","Present",NA,NA
+"17416","2-[1-(Carboxymethyl)-3-methylcyclohexyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(Carboxymethyl)-3-methyl-cyclohexyl]acetic acid",NA,"CC1CCCC(C1)(CC(=O)O)CC(=O)O","HJPDHTDUPWGUHP-UHFFFAOYSA-N",220370,NA,"PDBC17416","3001","Present",NA,NA
+"17417","2-[1-(p-Tolylsulfonyl)indolin-3-yl]ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-(p-Tolylsulfonyl)indolin-3-yl]ethanamine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC(C3=CC=CC=C32)CCN","ZAZWTDAKZGOQBY-UHFFFAOYSA-N",394096,NA,"PDBC17417","697234","Present",NA,NA
+"17418","2-[1-Acetyl-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-Acetyl-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate",NA,"CC(=O)N1C(=O)N(C(=N1)CC2=CC=C(C=C2)Cl)CCOC(=O)C","YWNSLLUTTNYAPV-UHFFFAOYSA-N",389503,NA,"PDBC17418","685789","Present",NA,NA
+"17419","2-[1-Acetyl-3-[(4-nitrophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-Acetyl-3-[(4-nitrophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]ethyl acetate",NA,"CC(=O)N1C(=O)N(C(=N1)CC2=CC=C(C=C2)[N+](=O)[O-])CCOC(=O)C","BMCZPRFRPXMGKV-UHFFFAOYSA-N",389504,NA,"PDBC17419","685790","Present",NA,NA
+"17420","2-[1-Acetyl-5-oxo-3-(p-tolylmethyl)-1,2,4-triazol-4-yl]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-Acetyl-5-oxo-3-(p-tolylmethyl)-1,2,4-triazol-4-yl]ethyl acetate",NA,"CC1=CC=C(C=C1)CC2=NN(C(=O)N2CCOC(=O)C)C(=O)C","YWYKPULBGFWEAS-UHFFFAOYSA-N",389502,NA,"PDBC17420","685788","Present",NA,NA
+"17421","2-[1-Ethoxy-2-(2-nitrophenyl)selanyl-butoxy]cyclohexene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{1-Ethoxy-2-[(2-nitrophenyl)selanyl]butoxy}cyclohex-1-ene-1-carbonitrile",NA,"CCC(C(OCC)OC1=C(CCCC1)C#N)[Se]C2=CC=CC=C2[N+](=O)[O-]","RMSWUWPQJYGLLF-UHFFFAOYSA-N",371758,NA,"PDBC17421","646201","Present",NA,NA
+"17422","2-[1-[(3S,8R,9S,10S,13R,14S,17S)-3-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-[(3S,8R,9S,10S,13R,14S,17S)-3-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-14-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethoxy]-6-(hyd",NA,"CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O)OC)O","NTBNNYBMKBZEQS-FXOVTYSZSA-N",396687,NA,"PDBC17422","703213","Present",NA,NA
+"17423","2-[1-[(Z)-3-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-[(Z)-3-(4-Chlorophenyl)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-ylidene]propanedinitrile",NA,"COC1=C(C=C(C=C1)C=C(C(=O)C2=CC=C(C=C2)Cl)N3C=CC=CC3=C(C#N)C#N)OC","YFWRGMFYNJSRPJ-XKZIYDEJSA-N",5470857,NA,"PDBC17423","705928","Present",NA,NA
+"17424","2-[1-[1-(4-Fluorophenyl)-6,7-dimethyl-pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-[1-(4-Fluorophenyl)-6,7-dimethylpyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"CC1=CC2=C(C=C1C)N=C3C(=N2)C(=NN3C4=CC=C(C=C4)F)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O","YHEYWIVRSHVECF-UHFFFAOYSA-N",365564,NA,"PDBC17424","633359","Present",NA,NA
+"17425","2-[1-[3-(4-Bromophenyl)-5-(2,4-dimethoxyphenyl)cyclohexa-2,5-dien-1-yl]ethylidene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-[3-(4-Bromophenyl)-5-(2,4-dimethoxyphenyl)cyclohexa-2,5-dien-1-yl]ethylidene]propanediamide",NA,"CC(=C(C(=O)N)C(=O)N)C1C=C(CC(=C1)C2=C(C=C(C=C2)OC)OC)C3=CC=C(C=C3)Br","LSFKGABOUPQRNY-UHFFFAOYSA-N",392310,NA,"PDBC17425","692586","Present",NA,NA
+"17426","2-[1-[3-(4-Chlorophenyl)-2-hydroxy-5-(2-thienyl)phenyl]ethylidene]propanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(4'-Chloro-2-hydroxy-5-thiophen-2-ylbiphenyl-3-yl)ethylidene]propanedioic acid",NA,"CC(=C(C(=O)O)C(=O)O)C1=CC(=CC(=C1O)C2=CC=C(C=C2)Cl)C3=CC=CS3","MHCOWAJOADANEY-UHFFFAOYSA-N",392308,NA,"PDBC17426","692584","Present",NA,NA
+"17427","2-[1-[6,7-Dichloro-1-(4-chlorophenyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-[6,7-Dichloro-1-(4-chlorophenyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"C1=CC(=CC=C1N2C3=NC4=CC(=C(C=C4N=C3C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O)Cl)Cl)Cl","URJIAMIKUQRSAL-UHFFFAOYSA-N",365568,NA,"PDBC17427","633363","Present",NA,NA
+"17428","2-[1-[6,7-Dichloro-1-(4-fluorophenyl)pyrazolo[3,4-b]quinolin-3-yl]-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-[6,7-Dichloro-1-(4-fluorophenyl)pyrazolo[3,4-b]quinolin-3-yl]-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"C1=CC(=CC=C1N2C3=C(C=C4C=C(C(=CC4=N3)Cl)Cl)C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O)F","GTDBAMZGURNIPG-UHFFFAOYSA-N",365562,NA,"PDBC17428","633357","Present",NA,NA
+"17429","2-[1-[6,7-Dimethyl-1-(p-tolyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-[6,7-Dimethyl-1-(4-methylphenyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"CC1=CC=C(C=C1)N2C3=NC4=C(C=C(C(=C4)C)C)N=C3C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O","RJWSYYPDBAGIIE-UHFFFAOYSA-N",365565,NA,"PDBC17429","633360","Present",NA,NA
+"17430","2-[1-[7-Chloro-1-(4-chlorophenyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxy-propoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1-[7-Chloro-1-(4-chlorophenyl)pyrazolo[4,3-b]quinoxalin-3-yl]-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"C1=CC(=CC=C1N2C3=NC4=C(C=CC(=C4)Cl)N=C3C(=N2)C(C(CO)O)OC5C(C(C(C(O5)CO)O)O)O)Cl","POPDHEUZCWIYQA-UHFFFAOYSA-N",365570,NA,"PDBC17430","633365","Present",NA,NA
+"17431","2-[10-(Carboxymethyl)-4-oxa-1,7,10,15-tetrazabicyclo[5.5.5]heptadecan-15-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[10-(Carboxymethyl)-4-oxa-1,7,10,15-tetrazabicyclo[5.5.5]heptadecan-15-yl]acetic acid",NA,"C1CN(CCN2CCN(CCN1CCOCC2)CC(=O)O)CC(=O)O","QCPIANIXKSUROF-UHFFFAOYSA-N",393886,NA,"PDBC17431","696846","Present",NA,NA
+"17432","2-[10-(Dicyanomethylidene)anthracen-9-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KTPRRLOTCNWRHG-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C(=C(C#N)C#N)C3=CC=CC=C3C2=C(C#N)C#N","KTPRRLOTCNWRHG-UHFFFAOYSA-N",395931,NA,"PDBC17432","701026","Present",NA,NA
+"17433","2-[10-Methyl-5-(4-methylbenzoyl)-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[10-Methyl-5-(4-methylbenzoyl)-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid",NA,"CC1=CC=C(C=C1)C(=O)N2C(C3=CC=CN3N(C4=CC=CC=C42)C)CC(=O)O","FANIRVVWIAOEGC-UHFFFAOYSA-N",370733,NA,"PDBC17433","644252","Present",NA,NA
+"17434","2-[10-Methyl-5-(4-nitrobenzoyl)-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[10-Methyl-5-(4-nitrobenzoyl)-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid",NA,"CN1C2=CC=CC=C2N(C(C3=CC=CN31)CC(=O)O)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]","CVXRUIOICMNZGV-UHFFFAOYSA-N",370734,NA,"PDBC17434","644254","Present",NA,NA
+"17435","2-[10-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]decyl]benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[10-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]decyl]benzo[de]isoquinoline-1,3-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","WWZXQUXNWHZLEH-VWLOTQADSA-N",403720,NA,"PDBC17435","719122","Present",NA,NA
+"17436","2-[11,19-Bis(carboxymethyl)-25,26,27-trihydroxy-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-3-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[11,19-Bis(carboxymethyl)-25,26,27-trihydroxy-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-3-yl]acetic acid",NA,"CC1=CC2=C(C(=C1)CN(CC3=CC(=CC(=C3O)CN(CC4=C(C(=CC(=C4)C)CN(C2)CC(=O)O)O)CC(=O)O)C)CC(=O)O)O","IBZIQNDFGDQRSR-UHFFFAOYSA-N",395594,NA,"PDBC17436","700324","Present",NA,NA
+"17437","2-[11,23-Ditert-butyl-17-(2-cyano-1,3-dinaphthalen-2-ylpropan-2-yl)-25,26,27,28-tetrahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]-3-naphthalen-2-yl-2-(naphthalen-2-ylmethyl)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[11,23-Ditert-butyl-17-(2-cyano-1,3-dinaphthalen-2-ylpropan-2-yl)-25,26,27,28-tetrahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaeny",NA,"CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(CC6=CC7=CC=CC=C7C=C6)(CC8=CC9=CC=CC=C9C=C8)C#N)C2)O)C(C)(C)C)C(CC1=CC2=CC=CC=C2C=C1)(CC1=CC2=CC=CC=C2C=C1)C#N)O","FIWSUFFKADRUQD-UHFFFAOYSA-N",16129913,NA,"PDBC17437","676865","Present",NA,NA
+"17438","2-[11-(3-Chlorophenyl)pyrido[3,2-c][1,7]phenanthrolin-6-yl]oxy-N,N-dimethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Dimethylaminoethyloxy)-11-(3-chlorophenyl)pyrido[3,...",NA,"CN(C)CCOC1=NC2=C(C(=CC3=C2C=CC=N3)C4=CC(=CC=C4)Cl)C5=C1C=CC=N5","WGBPHYKVMPLHRO-UHFFFAOYSA-N",155808842,NA,"PDBC17438","788512","Present",NA,NA
+"17439","2-[13-(Carboxymethyl)-1,10,13,18-tetrazabicyclo[8.5.5]icosan-18-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,10,13,18-Tetraazabicyclo[8.5.5]eicosane-13,18-diacetic acid",NA,"C1CCCCN2CCN(CCN(CCC1)CCN(CC2)CC(=O)O)CC(=O)O","GWOCADJLDQSWMA-UHFFFAOYSA-N",393889,NA,"PDBC17439","696849","Present",NA,NA
+"17440","2-[13-(Carboxymethyl)-4,7-dioxa-1,10,13,18-tetrazabicyclo[8.5.5]icosan-18-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[13-(Carboxymethyl)-4,7-dioxa-1,10,13,18-tetrazabicyclo[8.5.5]icosan-18-yl]acetic acid",NA,"C1CN(CCN2CCN(CCN1CCOCCOCC2)CC(=O)O)CC(=O)O","VVPVLLICKZIOEE-UHFFFAOYSA-N",393888,NA,"PDBC17440","696848","Present",NA,NA
+"17441","2-[16-(3,4-Dimethoxyphenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaen-4-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691421///Acetonitrile, [11-(3,4-dimethoxyphenyl)-8,10-diphenyl- 8...",NA,"COC1=C(C=C(C=C1)C2C3=C(N=CN4C3=NC(=N4)CC#N)OC5=C2C(=NN5C6=CC=CC=C6)C7=CC=CC=C7)OC","GQVFHGHBYJONTM-UHFFFAOYSA-N",391834,NA,"PDBC17441","691421///691422","Present",NA,NA
+"17442","2-[16-(Cyanomethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[16-(Cyanomethyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]acetonitrile",NA,"C1COCCOCCN(CCOCCOCCN1CC#N)CC#N","ATOJSDFYKAFFNY-UHFFFAOYSA-N",362520,NA,"PDBC17442","626543","Present",NA,NA
+"17443","2-[1H-Benzimidazol-2-ylsulfanyl(difluoro)methyl]-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1H-Benzimidazol-2-ylsulfanyl(difluoro)methyl]-1,3-benzoxazole",NA,"C1=CC=C2C(=C1)NC(=N2)SC(C3=NC4=CC=CC=C4O3)(F)F","SKMRXKHMAHKSLN-UHFFFAOYSA-N",391722,NA,"PDBC17443","691262","Present",NA,NA
+"17444","2-[2,2-Bis(phenylsulfanyl)ethyl]cycloheptanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2,2-Bis(phenylsulfanyl)ethyl]cycloheptanone",NA,"C1CCC(C(=O)CC1)CC(SC2=CC=CC=C2)SC3=CC=CC=C3","QPMNNWMIOHFADR-UHFFFAOYSA-N",394589,NA,"PDBC17444","698169","Present",NA,NA
+"17445","2-[2,3-Bis(10-methyloctadecanoyloxy)propoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis[(10-methyloctadecanoyl)oxy]propyl 2-(trimethylammonio)ethyl phosphate",NA,"CCCCCCCCC(C)CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC(C)CCCCCCCC","LLXFJRWEHOUXFB-UHFFFAOYSA-N",361950,NA,"PDBC17445","625434","Present",NA,NA
+"17446","2-[2,3-Dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2,3-Dihydro-1,4-benzodioxin-3-ylmethyl(ethyl)amino]ethanol",NA,"CCN(CCO)CC1COC2=CC=CC=C2O1","IJVPIJBQDRDFIM-UHFFFAOYSA-N",377573,NA,"PDBC17446","659138","Present",NA,NA
+"17447","2-[2,4-Bis(3-chlorophenyl)-5-cyano-2-methyl-1,3-dihydropyridin-6-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,6-Bis(3-chlorophenyl)-3-cyano-6-methyl-5,6-dihydropyridin-2(1h)-ylidene]propanedinitrile",NA,"CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC(=CC=C2)Cl)C3=CC(=CC=C3)Cl","XMBSJVOSFHLREE-UHFFFAOYSA-N",400102,NA,"PDBC17447","711594","Present",NA,NA
+"17448","2-[2,4-Bis(3-chlorothiophen-2-yl)-5-cyano-2-methyl-1,3-dihydropyridin-6-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4,6-Bis(3-chloro-2-thienyl)-3-cyano-6-methyl-1,5-dihydropyridin-2-ylidene]propanedinitrile",NA,"CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=C(C=CS2)Cl)C3=C(C=CS3)Cl","LXQWWVHOFDJGTB-UHFFFAOYSA-N",397775,NA,"PDBC17448","706198","Present",NA,NA
+"17449","2-[2,4-Bis(4-chlorophenyl)-5-cyano-2-methyl-1,3-dihydropyridin-6-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,6-Bis(4-chlorophenyl)-3-cyano-6-methyl-5,6-dihydropyridin-2(1h)-ylidene]propanedinitrile",NA,"CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","RNXGXBOKBXDQKY-UHFFFAOYSA-N",400101,NA,"PDBC17449","711593","Present",NA,NA
+"17450","2-[2,6-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2,6-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)guanidine",NA,"C1=CC(=C(C(=C1)C(F)(F)F)S(=O)(=O)N=C(N)NC2=CC=C(C=C2)Cl)C(F)(F)F","MYQLXLGLKAOCDH-UHFFFAOYSA-N",9572209,NA,"PDBC17450","707400","Present",NA,NA
+"17451","2-[2,6-Ditert-butyl-2-methyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2,6-Ditert-butyl-2-methyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol",NA,"CC1(NC2=C(C=C(C=C2C(C(F)(F)F)(C(F)(F)F)O)C(C)(C)C)C(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C","MQCCMBMQLDYJFM-UHFFFAOYSA-N",358635,NA,"PDBC17451","618645","Present",NA,NA
+"17452","2-[2,6-Ditert-butyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoro-propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2,6-Ditert-butyl-2-phenyl-4,4-bis(trifluoromethyl)-1H-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol",NA,"CC(C)(C)C1=CC2=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)O)NC(OC2(C(F)(F)F)C(F)(F)F)(C3=CC=CC=C3)C(C)(C)C","MVWZIZIAULTPQD-UHFFFAOYSA-N",358637,NA,"PDBC17452","618647","Present",NA,NA
+"17453","2-[2,6-Ditert-butyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2,6-Ditert-butyl-4,4-bis(trifluoromethyl)-1,2-dihydro-3,1-benzoxazin-8-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol",NA,"CC(C)(C)C1NC2=C(C=C(C=C2C(C(F)(F)F)(C(F)(F)F)O)C(C)(C)C)C(O1)(C(F)(F)F)C(F)(F)F","BRDSRSQOIIUZCM-UHFFFAOYSA-N",358636,NA,"PDBC17453","618646","Present",NA,NA
+"17454","2-[2-(1,2-Dibromo-1-phenylethyl)phenyl]-4,6-diphenylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(1,2-Dibromo-1-phenylethyl)phenyl]-4,6-diphenylpyridine",NA,"C1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=CC=C3C(CBr)(C4=CC=CC=C4)Br)C5=CC=CC=C5","QDTFIRRBFJVZPO-UHFFFAOYSA-N",386207,NA,"PDBC17454","677923","Present",NA,NA
+"17455","2-[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(1,3-Benzothiazol-2-ylsulfanyl)acetyl]-[1,3]thiazolo[2,3-b][1,3]benzothiazol-9-ium-1-olate",NA,"C1=CC=C2C(=C1)N=C(S2)SCC(=O)C3=C([N+]4=C(S3)SC5=CC=CC=C54)[O-]","INBZJBYYDIOHLH-UHFFFAOYSA-N",5458770,NA,"PDBC17455","339601","Present",NA,NA
+"17456","2-[2-(1,4-Dioxo-2-naphthyl)-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(1,4-Dioxo-2-naphthyl)-4,5-dimethyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl]naphthalene-1,4-dione",NA,"CC1=C(C(=O)C(=C(C1=O)C2=CC(=O)C3=CC=CC=C3C2=O)C4=CC(=O)C5=CC=CC=C5C4=O)C","OSWPSTPGHQHTSY-UHFFFAOYSA-N",394546,NA,"PDBC17456","698091","Present",NA,NA
+"17457","2-[2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-oxo-ethylsulfanyl]-3-phenyl-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-oxo-ethyl]sulfanyl-3-phenyl-quinazolin-4-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5","FMTCJDLLZQPOSR-UHFFFAOYSA-N",373863,NA,"PDBC17457","650826","Present",NA,NA
+"17458","2-[2-(1H-Benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-5-(4-chlorophenyl)-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{2,3,4,5-Tetrachloro-6-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1h-benzimidazole",NA,"C1=CC=C2C(=C1)NC(=N2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NN=C(O4)C5=CC=C(C=C5)Cl","XAQBRBPXIUGTIL-UHFFFAOYSA-N",402429,NA,"PDBC17458","716360","Present",NA,NA
+"17459","2-[2-(2,2-Dimethyl-5-oxo-1,3,2-oxazastannolidin-3-yl)ethylamino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(2,2-Dimethyl-5-oxo-1,3,2-oxazastannolidin-3-yl)ethylamino]acetic acid",NA,NA,NA,NA,NA,"PDBC17459","628576","Present",NA,NA
+"17460","2-[2-(2,3-Dimethoxyphenyl)vinyl]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AP-939/40892397",NA,"COC1=CC=CC(=C1OC)C=CC2=NC3=CC=CC=C3N=C2","PPUVITPJPBIFED-ZHACJKMWSA-N",5883624,NA,"PDBC17460","164886","Present",NA,NA
+"17461","2-[2-(2,4,5-Trimethoxyphenyl)vinyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-051/42548997",NA,"COC1=CC(=C(C=C1C=CC2=NC3=CC=CC=C3C=C2)OC)OC","XFQVOLWSIUAMOF-PKNBQFBNSA-N",5913773,NA,"PDBC17461","158207","Present",NA,NA
+"17462","2-[2-(2,6-Dichloroanilino)phenyl]-N-(2-dimethylaminoethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(2,6-Dichloroanilino)phenyl]-N-(2-dimethylaminoethyl)acetamide",NA,"CN(C)CCNC(=O)CC1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl","SQERONFIZXJBGD-UHFFFAOYSA-N",375258,NA,"PDBC17462","654732","Present",NA,NA
+"17463","2-[2-(2-Benzyloxycarbonylamino-2-methyl-propionylamino)-3-phenyl-propionylamino]-2-methyl-propionic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-2-[[2-[[2-methyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoyl]amino]propanoate",NA,"CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)OC)NC(=O)OCC2=CC=CC=C2","KNKDUFGFOVPCBK-UHFFFAOYSA-N",382211,NA,"PDBC17463","669669","Present",NA,NA
+"17464","2-[2-(2-Cyanophenoxy)ethoxy]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-(Ethylenebisoxy)bisbenzonitrile",NA,"C1=CC=C(C(=C1)C#N)OCCOC2=CC=CC=C2C#N","RTIPBRFNTQQVDU-UHFFFAOYSA-N",394577,NA,"PDBC17464","698146","Present",NA,NA
+"17465","2-[2-(2-Heptadecylimidazol-1-yl)ethoxy]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(2-Heptadecyl-1h-imidazol-1-yl)ethoxy]ethanol",NA,"CCCCCCCCCCCCCCCCCC1=NC=CN1CCOCCO","ZCMBVRYSEVZTPH-UHFFFAOYSA-N",229491,NA,"PDBC17465","23216","Present",NA,NA
+"17466","2-[2-(2-Hydroxyethyl)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(2-Hydroxyethyl)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide",NA,"COC1=CC=CC(=C1)CCNC(=O)CC2=CC=CC=C2CCO","MZTCGLSCCGRNHZ-UHFFFAOYSA-N",390007,NA,"PDBC17466","686930","Present",NA,NA
+"17467","2-[2-(2-Methyl-2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]-6-(morpholin-4-yl)pyrimidin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780290///NSC780291",NA,"CC1CC2=CC=CC=C2N1C(=O)CC3=NC(=CC(=O)N3)N4CCOCC4","UAXHPOBBKRWJGA-UHFFFAOYSA-N",136264282,NA,"PDBC17467","780290///780291","Present",NA,NA
+"17468","2-[2-(2-Methylbenzimidazol-1-yl)ethyl]-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(1,3-Benzothiazol-2-yl)ethyl]-2-methyl-benzimidazole",NA,"CC1=NC2=CC=CC=C2N1CCC3=NC4=CC=CC=C4S3","BTXKCNHBCFROQF-UHFFFAOYSA-N",396634,NA,"PDBC17468","703133","Present",NA,NA
+"17469","2-[2-(2-Oxo-2-phenylethyl)(4-hydropyridino[3,2-e]pyrazin-3-ylidene)]-1-phenyle than-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(Z)-2-Hydroxy-2-phenylethenyl]pyrido[2,3-b]pyrazin-2-yl]-1-phenylethanone",NA,"C1=CC=C(C=C1)C(=O)CC2=NC3=C(N=CC=C3)N=C2C=C(C4=CC=CC=C4)O","KZLNVGUPLUTQFT-JCMHNJIXSA-N",135426820,NA,"PDBC17469","720431","Present",NA,NA
+"17470","2-[2-(2-Pyridylmethyl)-1,3-dioxolan-2-yl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Pyridin-2-ylmethyl)-1,3-dioxolan-2-yl]-1H-indole",NA,"C1COC(O1)(CC2=CC=CC=N2)C3=CC4=CC=CC=C4N3","IENHJUPAHKRBGX-UHFFFAOYSA-N",392296,NA,"PDBC17470","692429","Present",NA,NA
+"17471","2-[2-(2-Thiazolylamino)ethyl]-3,6-trichloro-1,4-benzoquino ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(2-thiazolylamino)ethyl]-3,5,6-trichloro-1,4-benzoq...",NA,"C1=CSC(=N1)NCCC2=C(C(=O)C(=C(C2=O)Cl)Cl)Cl","FRTLDDVGRABWTO-UHFFFAOYSA-N",406196,NA,"PDBC17471","724209","Present",NA,NA
+"17472","2-[2-(3,4,5-Trimethoxy-phenyl)-vinyl]-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(3,4,5-Trimethoxy-phenyl)-vinyl]-pyridine",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=CC=N2","XUXIXPBKILBJGB-BQYQJAHWSA-N",5905112,NA,"PDBC17472","166683","Present",NA,NA
+"17473","2-[2-(3,4-Dimethoxyphenyl)vinyl]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AP-939/40892395",NA,"COC1=C(C=C(C=C1)C=CC2=NC3=CC=CC=C3N=C2)OC","FNOLUOKAPMSWQC-VQHVLOKHSA-N",5876917,NA,"PDBC17473","164887","Present",NA,NA
+"17474","2-[2-(3-Cyclopentyloxy-4-methoxyphenyl)-1-(2-methylpropyl)-5-pyridin-2-ylimidazol-4-yl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-1-isobutyl-...",NA,"CC(C)CN1C(=C(N=C1C2=CC(=C(C=C2)OC)OC3CCCC3)C4=CC=CC=N4)C5=CC=CC=N5","WTLKBHGVEVFDPO-UHFFFAOYSA-N",101887363,NA,"PDBC17474","771432","Present",NA,NA
+"17475","2-[2-(4-Amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)hydrazino]-2-oxo-N-(2,4,5-trichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinyl]-2-oxo-N-(2,4,5-trichlorophenyl)acetamide",NA,"C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)C(=O)NNC2=NNC(=S)N2N","ZBZKEGGVPINDJB-UHFFFAOYSA-N",3000683,NA,"PDBC17475","644793","Present",NA,NA
+"17476","2-[2-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)ethylidene]propane-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)ethylidene]propane-1,3-diol",NA,"C1=CN(C2=NC=NC(=C21)N)CC=C(CO)CO","OQSUHIUZWBMNIN-UHFFFAOYSA-N",395242,NA,"PDBC17476","699718","Present",NA,NA
+"17477","2-[2-(4-Chloro-2-methylanilino)-4-oxo-1,3-thiazol-5-yl]-N-(2,3-dimethylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(4-Chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)-N-(2,3-dimethylphenyl)acetamide",NA,"CC1=C(C(=CC=C1)NC(=O)CC2C(=O)NC(=NC3=C(C=C(C=C3)Cl)C)S2)C","FGPYOZLLFBGZHI-UHFFFAOYSA-N",135480970,NA,"PDBC17477","632243","Present",NA,NA
+"17478","2-[2-(4-Chlorobenzoyl)-4,5-bis(4-chlorophenyl)imidazol-1-yl]-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Chlorobenzoyl)-4,5-bis(4-chlorophenyl)imidazol-1-yl]-1-phenylethanone",NA,"C1=CC=C(C=C1)C(=O)CN2C(=C(N=C2C(=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","JDOPLGGGXHEGHA-UHFFFAOYSA-N",45027988,NA,"PDBC17478","740496","Present",NA,NA
+"17479","2-[2-(4-Chlorobenzoyl)-4,5-diphenylimidazol-1-yl]-1-(4-chlorophenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Chlorobenzoyl)-4,5-diphenylimidazol-1-yl]-1-(4-chlorophenyl)ethanone",NA,"C1=CC=C(C=C1)C2=C(N(C(=N2)C(=O)C3=CC=C(C=C3)Cl)CC(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5","QIZHNRFZNWFHIL-UHFFFAOYSA-N",45027992,NA,"PDBC17479","740500","Present",NA,NA
+"17480","2-[2-(4-Chlorobenzoyl)-4,5-diphenylimidazol-1-yl]-1-(4-methoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Chlorobenzoyl)-4,5-diphenylimidazol-1-yl]-1-(4-methoxyphenyl)ethanone",NA,"COC1=CC=C(C=C1)C(=O)CN2C(=C(N=C2C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5","BTNHVXGCBQGUPH-UHFFFAOYSA-N",45027991,NA,"PDBC17480","740499","Present",NA,NA
+"17481","2-[2-(4-Chlorobenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Chlorobenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone",NA,"COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)Cl","MCYUTFUFCIUNTB-UHFFFAOYSA-N",45029097,NA,"PDBC17481","745455","Present",NA,NA
+"17482","2-[2-(4-Chlorophenyl)-3-ethyl-3-methyl-1H-1,2,4-triazol-5-yl]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Chlorophenyl)-3-ethyl-3-methyl-1H-1,2,4-triazol-5-yl]pyrazine",NA,"CCC1(N=C(NN1C2=CC=C(C=C2)Cl)C3=NC=CN=C3)C","VICDSXJRDZDORS-UHFFFAOYSA-N",398871,NA,"PDBC17482","709092","Present",NA,NA
+"17483","2-[2-(4-Chlorophenyl)ethenyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC3265",NA,"C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC=C(C=C3)Cl","PWZHLFSCFYMSMR-YRNVUSSQSA-N",5377682,NA,"PDBC17483","3265","Present",NA,NA
+"17484","2-[2-(4-Chlorophenyl)sulfinylphenyl]-4,5-dihydro-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Chlorophenyl)sulfinylphenyl]-4,5-dihydro-1H-imidazole",NA,"C1CN=C(N1)C2=CC=CC=C2S(=O)C3=CC=C(C=C3)Cl","NILVJUUDIKEUJO-UHFFFAOYSA-N",388683,NA,"PDBC17484","683708","Present",NA,NA
+"17485","2-[2-(4-Chlorophenyl)sulfonylphenyl]-4,5-dihydro-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Chlorophenyl)sulfonylphenyl]-4,5-dihydro-1H-imidazole",NA,"C1CN=C(N1)C2=CC=CC=C2S(=O)(=O)C3=CC=C(C=C3)Cl","UXAOKZIATKFSSX-UHFFFAOYSA-N",388684,NA,"PDBC17485","683709","Present",NA,NA
+"17486","2-[2-(4-Methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Methoxybenzoyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)ethanone",NA,"COC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3N=C2C(=O)C4=CC=C(C=C4)OC","UTNYBTYLRXMDCJ-UHFFFAOYSA-N",45029094,NA,"PDBC17486","745452","Present",NA,NA
+"17487","2-[2-(4-Methylphenoxy)quinolin-3-yl]-5-[[2-(phenoxymethyl)benzimidazol-1-yl]methyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-(2-Phenoxymethyl-benzoimidazol-1-ylmethyl)-[1,3,4]o...",NA,"CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3C=C2C4=NN=C(O4)CN5C6=CC=CC=C6N=C5COC7=CC=CC=C7","ZWSIUTMJLXPNFB-UHFFFAOYSA-N",155812876,NA,"PDBC17487","776971","Present",NA,NA
+"17488","2-[2-(4-Methylphenyl)-2-oxoethylidene]-1,4-dihydropyridino[3,2-b]pyrazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Methylphenyl)-2-oxoethylidene]-1,4-dihydropyridino[3,2-b]pyrazin-3-one",NA,"CC1=CC=C(C=C1)C(=CC2=NC3=C(NC2=O)N=CC=C3)O","SEMNYBTXZUWGMC-ZROIWOOFSA-N",135426821,NA,"PDBC17488","720441","Present",NA,NA
+"17489","2-[2-(4-Phenylpiperazin-1-yl)ethyl]-1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Phenylpiperazin-1-yl)ethyl]-1-(3-pyridyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCN5CCN(CC5)C6=CC=CC=C6","ZYQYXIGIRBGVPH-UHFFFAOYSA-N",365601,NA,"PDBC17489","633402","Present",NA,NA
+"17490","2-[2-(5-Bromo-2,6,6-trimethyloxan-2-yl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-6-(2-hydroxy-3-methoxy-4-methylpent-4-enyl)-2,6-dimethyloxan-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(5-Bromo-2,6,6-trimethyloxan-2-yl)-4a-methyl-3,4,6,7,8,8a-hexahydro-2H-pyrano[3,2-b]pyran-6-yl]-6-(2-hydroxy-3-methoxy-4-methylpent-4-enyl)-2,6-dimethyloxan-4-ol",NA,"CC(=C)C(C(CC1(CC(CC(O1)(C)C2CCC3C(O2)(CCC(O3)C4(CCC(C(O4)(C)C)Br)C)C)O)C)O)OC","YPKLZEROPGNXPU-UHFFFAOYSA-N",24202892,NA,"PDBC17490","726178","Present",NA,NA
+"17491","2-[2-(6-Chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)hydrazinyl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(6-Chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)hydrazinyl]ethanol",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNCCO","HBYYFGPEYLDAIU-UHFFFAOYSA-N",393941,NA,"PDBC17491","696913","Present",NA,NA
+"17492","2-[2-(6-Quinolinylamino)ethyl]-3,6-trichlorohydroq1uinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(6-quinolinylamino)ethyl]-3,5,6-trichlorohydroq1uinone",NA,"C1=CC2=C(C=CC(=C2)NCCC3=C(C(=C(C(=C3Cl)O)Cl)Cl)O)N=C1","OZTKLPASWCWPSH-UHFFFAOYSA-N",406197,NA,"PDBC17492","724210","Present",NA,NA
+"17493","2-[2-(Aziridin-1-yl)ethoxy]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Aziridin-1-yl)ethoxy]quinoline",NA,"C1CN1CCOC2=NC3=CC=CC=C3C=C2","AREVUFJFOXNHIR-UHFFFAOYSA-N",268715,NA,"PDBC17493","109084","Present",NA,NA
+"17494","2-[2-(Aziridin-1-yl)ethyliminomethyl]phenolate;manganese(3+);perchloric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Aziridin-1-yl)ethyliminomethyl]phenolate;manganese(3+);perchloric acid",NA,"C1CN1CCN=CC2=CC=CC=C2[O-].C1CN1CCN=CC2=CC=CC=C2[O-].OCl(=O)(=O)=O.[Mn+3]","WAVQZOJSDCUNDS-UHFFFAOYSA-L",54607439,NA,"PDBC17494","290069","Present",NA,NA
+"17495","2-[2-(Azocan-1-yl)ethyl]-1-hydroxyguanidine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Azocan-1-yl)ethyl]-1-hydroxyguanidine;oxalic acid",NA,"C1CCCN(CCC1)CCN=C(N)NO.C(=O)(C(=O)O)O","FSBJFJNRICHHQR-UHFFFAOYSA-N",379733,NA,"PDBC17495","664708","Present",NA,NA
+"17496","2-[2-(Benzotriazol-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Benzotriazol-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine",NA,"CN(C)CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CN3C4=CC=CC=C4N=N3","XXKHESZSVGQLLD-UHFFFAOYSA-N",397761,NA,"PDBC17496","706183","Present",NA,NA
+"17497","2-[2-(Benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine",NA,"CN(C)CCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CN3N=C4C=CC=CC4=N3","CHDHEQVOFUWVJH-UHFFFAOYSA-N",397758,NA,"PDBC17497","706180","Present",NA,NA
+"17498","2-[2-(Benzotriazol-2-ylmethyl)-5-chlorobenzimidazol-1-yl]-N,N-dimethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Benzotriazol-2-ylmethyl)-5-chlorobenzimidazol-1-yl]-N,N-dimethylethanamine",NA,"CN(C)CCN1C2=C(C=C(C=C2)Cl)N=C1CN3N=C4C=CC=CC4=N3","CQAAPGZAWFWTIV-UHFFFAOYSA-N",397759,NA,"PDBC17498","706181","Present",NA,NA
+"17499","2-[2-(Benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Benzoyloxymethyl)-1,3-benzothiazol-6-yl]acetic acid",NA,"C1=CC=C(C=C1)C(=O)OCC2=NC3=C(S2)C=C(C=C3)CC(=O)O","IGMOJYYAWGVZIS-UHFFFAOYSA-N",396475,NA,"PDBC17499","702652","Present",NA,NA
+"17500","2-[2-(Carboxylatomethyl-(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetate; mercury(+2) cation",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Carboxylatomethyl-(carboxymethyl)amino)ethyl-(carboxymethyl)amino]acetate; mercury(+2) cation",NA,"C1CN(CC(=O)O[Hg]OC(=O)CN1CC(=O)O)CC(=O)O","HLPPLCMMZDXCQN-UHFFFAOYSA-L",16683706,NA,"PDBC17500","97345","Present",NA,NA
+"17501","2-[2-(Chloromethyl)-4,7-dimethoxy-1-methylbenzimidazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Chloromethyl)-4,7-dimethoxy-1-methylbenzimidazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine",NA,"CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4OC)N=C(N5C)CCl)OC","VHJOJRXOADTDKN-UHFFFAOYSA-N",6712702,NA,"PDBC17501","706840","Present",NA,NA
+"17502","2-[2-(Diaminomethylidene)hydrazinyl]-2-oxoacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OXALYL MONOGUANYLHYDRAZIDE",NA,"C(=O)(C(=O)O)NN=C(N)N","MZTBSNRMAPZWRT-UHFFFAOYSA-N",255800,NA,"PDBC17502","81670","Present",NA,NA
+"17503","2-[2-(Diaminomethylideneamino)ethyl]guanidine; sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(2-guanidinoethyl)guanidine sulfate",NA,"C(CN=C(N)N)N=C(N)N.OS(=O)(=O)O","NPQKICOQQSIGIQ-UHFFFAOYSA-N",227312,NA,"PDBC17503","18807","Present",NA,NA
+"17504","2-[2-(Diethoxyphosphorylmethoxy)ethyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Diethoxyphosphorylmethoxy)ethyl]-1,2,4-triazine-3,5-dione",NA,"CCOP(=O)(COCCN1C(=O)NC(=O)C=N1)OCC","ABOHDBGEFFGUHI-UHFFFAOYSA-N",386541,NA,"PDBC17504","678973","Present",NA,NA
+"17505","2-[2-(Diethylamino)ethyl]-4,11-dimethyl-[1,4]benzodioxino[2,3-f]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Diethylaminoethyl)-4,11-dimethyl-[1,4]benzodioxino[3,2-f]isoindole-1,3-dione",NA,"CCN(CC)CCN1C(=O)C2=C(C3=C(C(=C2C1=O)C)OC4=CC=CC=C4O3)C","OQDGXVGEKPCJDB-UHFFFAOYSA-N",391051,NA,"PDBC17505","689583","Present",NA,NA
+"17506","2-[2-(Diethylamino)ethyl]-4,9-diphenylbenzo[f]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Diethylaminoethyl)-4,9-diphenyl-benzo[f]isoindole-1,3-dione",NA,"CCN(CC)CCN1C(=O)C2=C(C3=CC=CC=C3C(=C2C1=O)C4=CC=CC=C4)C5=CC=CC=C5","AIVOXNTUBIXQPO-UHFFFAOYSA-N",391052,NA,"PDBC17506","689584","Present",NA,NA
+"17507","2-[2-(Diethylamino)ethyl]ellipticinium bromide hemihydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazolium, 2-[2-(diethylamino)ethyl]-5...",NA,"CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.Br.[Br-]","JBKJTXLCDTVQCY-UHFFFAOYSA-N",54600648,NA,"PDBC17507","353076","Present",NA,NA
+"17508","2-[2-(Dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride",NA,"CN(C)CCNC1=C(C=C2C3=C1C=CC=C3C(=O)N(C2=O)CCN(C)C)[N+](=O)[O-].Cl","IHDBZYAJKCATMZ-UHFFFAOYSA-N",361126,NA,"PDBC17508","623954","Present",NA,NA
+"17509","2-[2-(Hydrazinecarbonyl)anilino]benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(Hydrazinecarbonyl)phenyl]amino]benzohydrazide",NA,"C1=CC=C(C(=C1)C(=O)NN)NC2=CC=CC=C2C(=O)NN","XHQJLKFFZZETDA-UHFFFAOYSA-N",397347,NA,"PDBC17509","704957","Present",NA,NA
+"17510","2-[2-(Hydroxymethyl)phenyl]-N-[3-(3-methoxyphenyl)propyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Hydroxymethyl)phenyl]-N-[3-(3-methoxyphenyl)propyl]acetamide",NA,"COC1=CC=CC(=C1)CCCNC(=O)CC2=CC=CC=C2CO","QHULFUNPKUQRED-UHFFFAOYSA-N",390038,NA,"PDBC17510","686952","Present",NA,NA
+"17511","2-[2-(Methylamino)phenyl]-3,1-benzoxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Methylamino)phenyl]-4H-3,1-benzoxazin-4-one",NA,"CNC1=CC=CC=C1C2=NC3=CC=CC=C3C(=O)O2","DSZYWOKARLCKMH-UHFFFAOYSA-N",363775,NA,"PDBC17511","628987","Present",NA,NA
+"17512","2-[2-(Pyridin-3-ylmethyl)-1,3-dioxolan-2-yl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(3-Pyridylmethyl)-1,3-dioxolan-2-yl]-1h-indole",NA,"C1COC(O1)(CC2=CN=CC=C2)C3=CC4=CC=CC=C4N3","BKQMDHJVFYCXRD-UHFFFAOYSA-N",393307,NA,"PDBC17512","694972","Present",NA,NA
+"17513","2-[2-([1]Benzofuro[2,3-b]quinolin-11-ylamino)ethylamino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-([1]Benzofuro[2,3-b]quinolin-11-ylamino)ethylamino]ethanol",NA,"C1=CC=C2C(=C1)C(=C3C4=CC=CC=C4OC3=N2)NCCNCCO","IAKFMHMASZSIJH-UHFFFAOYSA-N",24205998,NA,"PDBC17513","737619","Present",NA,NA
+"17514","2-[2-Amino-1-(3-chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrrol-3-yl]quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-amino-1-(3-chlorophenyl)-3-oxo-2,3-dihydro-1H-4-pyr...",NA,"C1C(=C(C(=N)N1C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4C(=O)N3)O","KANBZOJTVSUFEE-UHFFFAOYSA-N",135456438,NA,"PDBC17514","727826","Present",NA,NA
+"17515","2-[2-Amino-4-(4-methoxyphenyl)-4,5-dihydropyrimidin-6-yl]-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Amino-4-(4-methoxyphenyl)-4,5-dihydropyrimidin-6-yl]-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)C2=NC(=NC(C2)C3=CC=C(C=C3)OC)N","ONQNMOIDZUDAEZ-UHFFFAOYSA-N",359842,NA,"PDBC17515","621452","Present",NA,NA
+"17516","2-[2-Amino-5-(morpholinomethyl)pyrimidin-4-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Amino-5-[morpholinomethyl]pyrimidin-4-yl]phenol",NA,"C1COCCN1CC2=CN=C(N=C2C3=CC=CC=C3O)N","DYKFYRAALGIZBI-UHFFFAOYSA-N",380514,NA,"PDBC17516","666128","Present",NA,NA
+"17517","2-[2-Amino-5-[pyrrolizinomethyl]pyrimidin-4-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Amino-5-(pyrrolidin-1-ylmethyl)pyrimidin-4-yl]phenol",NA,"C1CCN(C1)CC2=CN=C(N=C2C3=CC=CC=C3O)N","WIOYSURTIDCEFA-UHFFFAOYSA-N",358187,NA,"PDBC17517","618063","Present",NA,NA
+"17518","2-[2-Amino-5-chloro-6-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Amino-5-chloro-6-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)C2=NC(=NC(=C2Cl)C3=CC=C(C=C3)OC)N","JKPCNFGIHMUCNW-UHFFFAOYSA-N",359839,NA,"PDBC17518","621448","Present",NA,NA
+"17519","2-[2-Amino-6-(3-bromophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Amino-6-(3-bromophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)C2=CC(SC(=N2)N)C3=CC(=CC=C3)Br","NCAQKHRHTGXMBM-UHFFFAOYSA-N",403656,NA,"PDBC17519","718724","Present",NA,NA
+"17520","2-[2-Amino-6-(3-chlorophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Amino-6-(3-chlorophenyl)-6H-1,3-thiazin-4-yl]-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)C2=CC(SC(=N2)N)C3=CC(=CC=C3)Cl","NXGOEMTUVIHSQX-UHFFFAOYSA-N",403645,NA,"PDBC17520","718713","Present",NA,NA
+"17521","2-[2-Amino-6-(4-methylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Amino-6-(4-methylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,"CC1=CC=C(C=C1)NC2=C3C(=NC(=N2)N)N(C=N3)C4C(C(C(O4)CO)O)O","VQITYXMXZZEURX-UHFFFAOYSA-N",433306,NA,"PDBC17521","327926","Present",NA,NA
+"17522","2-[2-Amino-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)sulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purin-2-amine, 6-[(7-nitro-4-benzofurazanyl)thio]-9-D...",NA,"C1=C(C2=NON=C2C(=C1)SC3=NC(=NC4=C3N=CN4C5C(C(C(O5)CO)O)O)N)[N+](=O)[O-]","KPNFSARMBBISMK-UHFFFAOYSA-N",335945,NA,"PDBC17522","348400","Present",NA,NA
+"17523","2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-(4-chlorophenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-(4-chlorophenyl)ethanone",NA,"COC1=CC=C(C=C1)C2=C(N(C(=N2)C(=O)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC","OLBFSDLZXDNLTC-UHFFFAOYSA-N",45027995,NA,"PDBC17523","740503","Present",NA,NA
+"17524","2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-(4-methoxyphenyl)ethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-(4-methoxyphenyl)ethanone",NA,"COC1=CC=C(C=C1)C2=C(N(C(=N2)C(=O)C3=CC=CC=C3)CC(=O)C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC","FPZKKDITHPOLKG-UHFFFAOYSA-N",45027994,NA,"PDBC17524","740502","Present",NA,NA
+"17525","2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Benzoyl-4,5-bis(4-methoxyphenyl)imidazol-1-yl]-1-phenylethanone",NA,"COC1=CC=C(C=C1)C2=C(N(C(=N2)C(=O)C3=CC=CC=C3)CC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC","KWEKVWYEFHOBEI-UHFFFAOYSA-N",45027987,NA,"PDBC17525","740495","Present",NA,NA
+"17526","2-[2-Bromo-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]-4,4-dimethyl-5H-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(4,4-dimethyl-2-oxazoline-2-yl)-2-bromobenzene",NA,"CC1(COC(=N1)C2=C(C(=CC=C2)C3=NC(CO3)(C)C)Br)C","HVVHHHIVAXYPRB-UHFFFAOYSA-N",395336,NA,"PDBC17526","699818","Present",NA,NA
+"17527","2-[2-Bromo-3-(cyanomethyl)phenyl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Bromo-3-(cyanomethyl)phenyl]acetonitrile",NA,"C1=CC(=C(C(=C1)CC#N)Br)CC#N","BOPUVURABONJSQ-UHFFFAOYSA-N",358336,NA,"PDBC17527","618301","Present",NA,NA
+"17528","2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]-1-morpholin-4-ylethanone;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 4-[[2-chloro-4-(4,6-dia...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)N3CCOCC3)Cl)N)N)C","WYHMGODFDCDBHZ-UHFFFAOYSA-N",284536,NA,"PDBC17528","140380","Present",NA,NA
+"17529","2-[2-Chloro-4-(4-chlorobenzoyl)phenoxy]-2-methyl-1-(4-phenylpiperazin-1-yl)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Chloro-4-(4-chlorobenzoyl)phenoxy]-2-methyl-1-(4-phenylpiperazin-1-yl)propan-1-one",NA,"CC(C)(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=C(C=C(C=C3)C(=O)C4=CC=C(C=C4)Cl)Cl","WPVVUFKHKNQYRL-UHFFFAOYSA-N",375238,NA,"PDBC17529","654627","Present",NA,NA
+"17530","2-[2-Ethyl(3,4-dimethoxyphenyl)amino]methyl]3-phenyl-7-trifl uoromethylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-ethyl(3,4-dimethoxyphenyl)amino]methyl]3-phenyl-7-t...",NA,"CCN(CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC","AKZDCXDJASVSLK-UHFFFAOYSA-N",24204808,NA,"PDBC17530","732995","Present",NA,NA
+"17531","2-[2-Furfuryl-5)p-phenylene] benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2 - furfuryl - 5)p-phenylene] benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(O4)C=O","KIJNXIZDJRSHRB-UHFFFAOYSA-N",24203185,NA,"PDBC17531","727091","Present",NA,NA
+"17532","2-[2-Hydroxy-3-(1,2,3,4-tetrahydroisoquinoline-2-yl)propyl]-4,6-dimethyl-5-butylpyrrolo[3,4-c]pyrrole-1,3(2H,5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butyl-5-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-1,3-dimethylpyrrolo[3,4-c]pyrrole-4,6-dione",NA,"CCCCN1C(=C2C(=C1C)C(=O)N(C2=O)CC(CN3CCC4=CC=CC=C4C3)O)C","BABRJAPXMIIIDA-UHFFFAOYSA-N",401047,NA,"PDBC17532","713752","Present",NA,NA
+"17533","2-[2-Hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Hydroxy-3-(3-oxoindol-2-yl)-1H-indol-5-yl]acetic acid",NA,"C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)CC(=O)O)O","QHSMPUSHIPJPCX-UHFFFAOYSA-N",403175,NA,"PDBC17533","717828","Present",NA,NA
+"17534","2-[2-Hydroxy-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Hydroxy-3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propyl]-4,6-dimethyl-[1,2]thiazolo[5,4-b]pyridin-3-one",NA,"CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCN(CC3)CCOCCO)O)C","RVADDVIDKKPOOW-UHFFFAOYSA-N",401088,NA,"PDBC17534","713911","Present",NA,NA
+"17535","2-[2-Hydroxyethyl-(2-methyltriazolo[4,5-f]quinolin-9-yl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Hydroxyethyl-(2-methyltriazolo[4,5-f]quinolin-9-yl)amino]ethanol",NA,"CN1N=C2C=CC3=NC=CC(=C3C2=N1)N(CCO)CCO","FQMWTXIYCFEXTQ-UHFFFAOYSA-N",374503,NA,"PDBC17535","652254","Present",NA,NA
+"17536","2-[2-Hydroxyethyl-(2-nitrothiazol-5-yl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Hydroxyethyl-(2-nitrothiazol-5-yl)amino]ethanol",NA,"C1=C(SC(=N1)[N+](=O)[O-])N(CCO)CCO","VHRGELKGXFYPME-UHFFFAOYSA-N",380954,NA,"PDBC17536","666737","Present",NA,NA
+"17537","2-[2-Hydroxyethyl-(3-methyl-2-nitroimidazol-4-yl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Hydroxyethyl-(3-methyl-2-nitro-imidazol-4-yl)amino]ethanol",NA,"CN1C(=CN=C1[N+](=O)[O-])N(CCO)CCO","FYOYJIVAJINMGA-UHFFFAOYSA-N",388358,NA,"PDBC17537","683251","Present",NA,NA
+"17538","2-[2-Hydroxyethyl-(3-methyltriazolo[4,5-f]quinolin-9-yl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Hydroxyethyl-(3-methylpyrido[3,2-e]benzotriazol-9-yl)amino]ethanol",NA,"CN1C2=C(C3=C(C=CN=C3C=C2)N(CCO)CCO)N=N1","BSUHOOYAQARNCK-UHFFFAOYSA-N",387990,NA,"PDBC17538","682355","Present",NA,NA
+"17539","2-[2-Hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Hydroxyethyl-[3-[(6,7,8-triethoxyquinazolin-4-yl)amino]propyl]amino]ethanol",NA,"CCOC1=C(C(=C2C(=C1)C(=NC=N2)NCCCN(CCO)CCO)OCC)OCC","MMZXVKQSUKESED-UHFFFAOYSA-N",330472,NA,"PDBC17539","319078","Present",NA,NA
+"17540","2-[2-Methyl-5'-(methoxycarbonyl)spiro[acridine-9(10H),4'-thiazolidine]-2'-ylidene]malonic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(5-methoxycarbonyl-2'-methylspiro[1,3-thiazolidine-4,9'-10H-acridine]-2-ylidene)propanedioate",NA,"CCOC(=O)C(=C1NC2(C(S1)C(=O)OC)C3=CC=CC=C3NC4=C2C=C(C=C4)C)C(=O)OCC","GPPZZMJJQUQFNB-UHFFFAOYSA-N",402484,NA,"PDBC17540","716510","Present",NA,NA
+"17541","2-[2-Methyl-5'-cyanospiro[acridine-9(10H),4'-thiazolidine]-2'-ylidene]malonic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(5-cyano-2'-methylspiro[1,3-thiazolidine-4,9'-10H-acridine]-2-ylidene)propanedioate",NA,"CCOC(=O)C(=C1NC2(C(S1)C#N)C3=CC=CC=C3NC4=C2C=C(C=C4)C)C(=O)OCC","GWJMGQDNCMFHJX-UHFFFAOYSA-N",399778,NA,"PDBC17541","710873","Present",NA,NA
+"17542","2-[2-Oxo-1-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-yl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Oxo-1-[2-phenylmethoxy-1-(4-phenylmethoxyphenyl)ethyl]azetidin-3-yl]isoindole-1,3-dione",NA,"C1C(C(=O)N1C(COCC2=CC=CC=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4)N5C(=O)C6=CC=CC=C6C5=O","YKAUIGFOPMAXRQ-UHFFFAOYSA-N",357698,NA,"PDBC17542","617215","Present",NA,NA
+"17543","2-[2-[(1-Nitroacridin-9-yl)amino]ethylamino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-1-nitro-",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCNCCO","WWCHZSZUXCSNOQ-UHFFFAOYSA-N",384246,NA,"PDBC17543","673792","Present",NA,NA
+"17544","2-[2-[(2-Aminoacetyl)amino]-4,5-dichlorophenyl]-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(2-Aminoacetyl)amino]-4,5-dichlorophenyl]-N-methyl-N-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrochloride",NA,"CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3NC(=O)CN)Cl)Cl.Cl","NJUWDORJDQDWRA-HLRBRJAUSA-N",54608500,NA,"PDBC17544","708864","Present",NA,NA
+"17545","2-[2-[(2-Methoxyacridin-9-yl)amino]ethylamino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[(2-[(2-methoxy-9-acridinyl)amino]ethyl)amino...",NA,"COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCNCCO.Cl","DNXHYKAEDGGTER-UHFFFAOYSA-N",24181963,NA,"PDBC17545","13006","Present",NA,NA
+"17546","2-[2-[(2-Methyltriazolo[4,5-f]quinolin-9-yl)amino]ethylamino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(2-Methyltriazolo[4,5-f]quinolin-9-yl)amino]ethylamino]ethanol",NA,"CN1N=C2C=CC3=NC=CC(=C3C2=N1)NCCNCCO","KVVWVJGBVICQAT-UHFFFAOYSA-N",371632,NA,"PDBC17546","646033","Present",NA,NA
+"17547","2-[2-[(6-Amino-9H-purin-3-ium-3-yl)methyl]phenyl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(6-Amino-9H-purin-3-ium-3-yl)methyl]phenyl]ethanol",NA,"C1=CC=C(C(=C1)CCO)C[N+]2=C3C(=C(N=C2)N)NC=N3","JRSRPUYPVNASML-UHFFFAOYSA-O",495103,NA,"PDBC17547","644202","Present",NA,NA
+"17548","2-[2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]ethylamino]cyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]ethylamino]cyclohepta-2,4,6-trien-1-one",NA,"C1=CC=C(C(=O)C=C1)NCCNC2=CC=CC=CC2=O","XFZGOJUYBCRQAU-UHFFFAOYSA-N",358329,NA,"PDBC17548","618293","Present",NA,NA
+"17549","2-[2-[(E)-(5-Ethoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxidanylidene-N-[3-(trifluoromethyl)phenyl]ethanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-N-[3-(trifluoromethyl)phenyl]oxamide",NA,"CCOC1=CC=CC(=C1O)C=NNC(=O)C(=O)NC2=CC=CC(=C2)C(F)(F)F","NNZVOPPZPAAXRN-LSHDLFTRSA-N",135452594,NA,"PDBC17549","329055","Present",NA,NA
+"17550","2-[2-[(E)-2-(1,2-Benzoxazol-3-yl)ethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(E)-2-(1,2-Benzoxazol-3-yl)ethenyl]phenoxy]-N,N-diethylethanamine;hydrochloride",NA,"CCN(CC)CCOC1=CC=CC=C1C=CC2=NOC3=CC=CC=C32.Cl","YTWAOZUBPSXNBP-IERUDJENSA-N",5351338,NA,"PDBC17550","601101","Present",NA,NA
+"17551","2-[2-[(E)-2-(4-Butoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(E)-2-(4-Butoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride",NA,"CCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCO.[Cl-]","RIHWAEUQSSIJTG-MLBSPLJJSA-M",5469688,NA,"PDBC17551","691430","Present",NA,NA
+"17552","2-[2-[(E)-2-(4-Octoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(E)-2-(4-Octoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride",NA,"CCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCO.[Cl-]","KVHWYFMFNHKJAY-RSGUCCNWSA-M",5469690,NA,"PDBC17552","691431","Present",NA,NA
+"17553","2-[2-[(E)-2-(4-Propoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(E)-2-(4-Propoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium-3-yl]ethanol;chloride",NA,"CCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCO.[Cl-]","VLQBBKAXWQPQQC-HAAWTFQLSA-M",5469686,NA,"PDBC17553","691429","Present",NA,NA
+"17554","2-[2-[(E)-Dimethylaminomethyleneamino]-6-hydroxy-purin-7-yl]ethyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(E)-Dimethylaminomethyleneamino]-6-hydroxy-purin-7-yl]ethyl benzoate",NA,"CN(C)C=NC1=NC2=C(C(=O)N1)N(C=N2)CCOC(=O)C3=CC=CC=C3","QSCVYADRNBIJBE-VXLYETTFSA-N",135510131,NA,"PDBC17554","637524","Present",NA,NA
+"17555","2-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]-2-methylpropan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]-2-methylpropan-1-ol",NA,"CCCCCCCCC=CCCCCCCCC1=NC(CN1C(C)(C)CO)(C)C","AQHHRCQYBCLIPO-BUHFOSPRSA-N",5354711,NA,"PDBC17555","17763","Present",NA,NA
+"17556","2-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(E)-Heptadec-8-enyl]-5,5-dimethyl-4H-imidazol-3-yl]ethanol",NA,"CCCCCCCCC=CCCCCCCCC1=NC(CN1CCO)(C)C","SSKYOXIHQFQZRW-VAWYXSNFSA-N",5354709,NA,"PDBC17556","17755","Present",NA,NA
+"17557","2-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCOC5C(C(C(C(O5)CO)O)O)O","RYUOAQSYRBKSLR-OVVQPSECSA-N",135436306,NA,"PDBC17557","717859","Present",NA,NA
+"17558","2-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethoxy]oxane-3,4,5-triol",NA,"C1C(C(C(C(O1)OCCON=C2C3=CC=CC=C3N=C2C4=C(NC5=CC=CC=C54)O)O)O)O","HSEAEWLMKXVJFL-NLRVBDNBSA-N",135436307,NA,"PDBC17558","717860","Present",NA,NA
+"17559","2-[2-[(N,N-Diethylamino)thiocarbamoylthio]hexanoylamino]thia zole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(N,N-diethylamino)thiocarbamoylthio]hexanoylamino]...",NA,"CCCCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC(=S)N(CC)CC","LVVIXBQFWYVYMN-UHFFFAOYSA-N",24205695,NA,"PDBC17559","736391","Present",NA,NA
+"17560","2-[2-[(Z)-1-Benzamido-2-(2-hydroxyphenyl)vinyl]-5-oxo-oxazolidin-4-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(Z)-1-Benzamido-2-(2-hydroxyphenyl)vinyl]-5-oxo-oxazolidin-4-yl]acetic acid",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C3NC(C(=O)O3)CC(=O)O","AJBNWPRTBYQALF-UVTDQMKNSA-N",6477540,NA,"PDBC17560","686413","Present",NA,NA
+"17561","2-[2-[(Z)-Benzylideneamino]-6-phenylpyrimidin-4-yl]-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(Z)-Benzylideneamino]-6-phenylpyrimidin-4-yl]-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)C2=NC(=NC(=C2)C3=CC=CC=C3)N=CC4=CC=CC=C4","URHOGTCCBLCWCS-XYGWBWBKSA-N",135509205,NA,"PDBC17561","678881","Present",NA,NA
+"17562","2-[2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(Z,2S)-2-[(3S,5R,7S,8R,9R,10S,13R,14R,17S)-3,7-Dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-7-hydroxy-6-methylhept-5-en-2-yl]oxy",NA,"CC1C(C(C(C(O1)OC2C(C(C(OC2OC(C)(CCC=C(C)CO)C3CCC4(C3CCC5C4(C(CC6C5(CCC(C6(C)C)O)C)O)C)C)CO)O)O)O)O)O","GCASFCUJTIEHAJ-LCHHUYPUSA-N",5468693,NA,"PDBC17562","674626","Present",NA,NA
+"17563","2-[2-[1-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethyl]isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[1-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethyl]isoindoline-1,3-dione",NA,"CC1=CN(C(=O)NC1=O)C(C)OCCN2C(=O)C3=CC=CC=C3C2=O","KFGGILSLAMVDCQ-UHFFFAOYSA-N",395834,NA,"PDBC17563","700837","Present",NA,NA
+"17564","2-[2-[2,4-Dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2,4-Dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carb",NA,"C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC4=CC=CC=C4","LASNPBRFYJWGQV-UHFFFAOYSA-N",366483,NA,"PDBC17564","634943","Present",NA,NA
+"17565","2-[2-[2-(2-Pyrazin-2-ylethynyl)phenyl]ethynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Pyrazin-2-ylethynyl)phenyl]ethynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC2=CC=CC=C2N)C#CC3=NC=CN=C3","BJWREBDQBRWMNN-UHFFFAOYSA-N",24203580,NA,"PDBC17565","728598","Present",NA,NA
+"17566","2-[2-[2-(2-Thiophen-2-ylethynyl)phenyl]ethynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Thiophen-2-ylethynyl)phenyl]ethynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC2=CC=CC=C2N)C#CC3=CC=CS3","PYJYXNYRUBZNII-UHFFFAOYSA-N",24203581,NA,"PDBC17566","728599","Present",NA,NA
+"17567","2-[2-[2-(5,8-Dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]ethyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(5,8-Dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl-methylamino]ethyl]-5,8-dinitrobenzo[de]isoquinoline-1,3-dione",NA,"CN(CCN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-])CCN4C(=O)C5=CC(=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-]","KZQUWCFQFIZGKN-UHFFFAOYSA-N",357257,NA,"PDBC17567","615443","Present",NA,NA
+"17568","2-[2-[2-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethoxycarbonylamino]-5-ureido-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethoxycarbonylamino]-5-ureido-pentanoic acid",NA,"CC1=CN(C(=O)NC1=O)CCOCCOC(=O)NC(CCCNC(=O)N)C(=O)O","GHBRVOMRIIEMGZ-UHFFFAOYSA-N",391690,NA,"PDBC17568","691232","Present",NA,NA
+"17569","2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethyl]isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-Oxo-4-(tritylamino)pyrimidin-1-yl]ethyl]isoindoline-1,3-dione",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)NC4=NC(=O)N(C=C4)CCN5C(=O)C6=CC=CC=C6C5=O","FNFCMSXPTJUYRE-UHFFFAOYSA-N",368677,NA,"PDBC17569","639795","Present",NA,NA
+"17570","2-[2-[2-[(1R,3As,5aR,5bR,7aS,9S,11aS,11bR,13aR,13bR)-5a,5b,8,8,9,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carbonyl]oxyethoxy]ethoxy]ethyl-triphenylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{2-[2-(triphenylphosphonio)ethoxy]ethoxy}ethyl 3-hydro...",NA,"CC1CCC2(C3CCC4C5C(CCC5(CCC4(C3(CCC2C1(C)C)C)C)C(=O)OCCOCCOCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=C)C)C","RCJMYYQPLGNZIA-NPUKJUDISA-N",155811915,NA,"PDBC17570","791860","Present",NA,NA
+"17571","2-[2-[2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]ethoxy]ethylamino]cyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]ethoxy]ethylamino]cyclohepta-2,4,6-trien-1-one",NA,"C1=CC=C(C(=O)C=C1)NCCOCCNC2=CC=CC=CC2=O","WQUDKKXCMOFMGW-UHFFFAOYSA-N",358325,NA,"PDBC17571","618289","Present",NA,NA
+"17572","2-[2-[2-[1-(2-Methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-enyl]-5-oxo-2H-furan-4-yl]ethyl]-3-methylbut-2-enal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[1-(2-Methoxy-4-methyl-5-oxofuran-2-yl)-2-methylprop-2-enyl]-5-oxo-2H-furan-4-yl]ethyl]-3-methylbut-2-enal",NA,"CC1=CC(OC1=O)(C(C2C=C(C(=O)O2)CCC(=C(C)C)C=O)C(=C)C)OC","IYTPQKWQKYLEMT-UHFFFAOYSA-N",24202891,NA,"PDBC17572","726177","Present",NA,NA
+"17573","2-[2-[2-[2-(1,3-Dioxoisoindolin-2-yl)ethylsulfanyl]-3-hydroxy-propyl]sulfanylethyl]isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[2-(1,3-Dioxoisoindol-2-yl)ethylsulfanyl]-3-hydroxypropyl]sulfanylethyl]isoindole-1,3-dione",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCSCC(CO)SCCN3C(=O)C4=CC=CC=C4C3=O","OREAFLROAQETFC-UHFFFAOYSA-N",394306,NA,"PDBC17573","697673","Present",NA,NA
+"17574","2-[2-[2-[2-(2-Aminophenyl)ethynyl]phenyl]ethynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[2-(2-Aminophenyl)ethynyl]phenyl]ethynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC2=CC=CC=C2N)C#CC3=CC=CC=C3N","BZPJHLWWAGEDIZ-UHFFFAOYSA-N",11266822,NA,"PDBC17574","727178","Present",NA,NA
+"17575","2-[2-[2-[2-(6-Methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)oxyethoxy]ethoxy]ethoxy]ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[2-(6-Methylimidazo[2,1-b][1,3]thiazole-5-carbonyl)oxyethoxy]ethoxy]ethoxy]ethyl 6-methylimidazo[2,1-b][1,3]thiazole-5-carboxylate",NA,"CC1=C(N2C=CSC2=N1)C(=O)OCCOCCOCCOCCOC(=O)C3=C(N=C4N3C=CS4)C","PRQRDHSPTLBFBW-UHFFFAOYSA-N",400594,NA,"PDBC17575","712717","Present",NA,NA
+"17576","2-[2-[2-[2-[2-[(4-Methoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dodecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[2-[2-[(4-Methoxyphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl dodecanoate",NA,"CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCC1=CC=C(C=C1)OC","IPFPZSGQCASWNC-UHFFFAOYSA-N",361961,NA,"PDBC17576","625444","Present",NA,NA
+"17577","2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[2-[4-[6-[4-[2-[2-(2-Pyridin-2-ylethynyl)phenyl]ethynyl]phenoxy]hexoxy]phenyl]ethynyl]phenyl]ethynyl]pyridine",NA,"C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)OCCCCCCOC3=CC=C(C=C3)C#CC4=CC=CC=C4C#CC5=CC=CC=N5)C#CC6=CC=CC=N6","QLJOBUPSRHZKBS-UHFFFAOYSA-N",25198629,NA,"PDBC17577","741695","Present",NA,NA
+"17578","2-[2-[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NCCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)C(C)OC4C(C(OC(C4NC(=O)C)(C)OCC5=CC=CC=C5)CO)O","JXJCLGDQUPBNPZ-UHFFFAOYSA-N",388678,NA,"PDBC17578","683696","Present",NA,NA
+"17579","2-[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoylamino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoylamino]-N'-[3-[(1-nitroacridin-9-yl)amino]propyl]pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","ZXLBOKLEIWEQLF-UHFFFAOYSA-N",386034,NA,"PDBC17579","677597","Present",NA,NA
+"17580","2-[2-[2-[5-Bromo-3-[2-(oxan-2-yloxy)ethyl]thiophen-2-yl]thiophen-3-yl]ethoxy]oxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[5-Bromo-2-[3-(2-tetrahydropyran-2-yloxyethyl)-2-thienyl]-3-thienyl]ethoxy]tetrahydropyran",NA,"C1CCOC(C1)OCCC2=C(SC=C2)C3=C(C=C(S3)Br)CCOC4CCCCO4","REWOKFJYEVCXDU-UHFFFAOYSA-N",396459,NA,"PDBC17580","702433","Present",NA,NA
+"17581","2-[2-[3,3-Bis(trifluoromethyl)-1H-2,1-benzoxaphosphol-1-ium-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olate;carbon monoxide;rhenium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[3,3-Bis(trifluoromethyl)-1H-2,1-benzoxaphosphol-1-ium-1-yl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olate;carbon monoxide;rhenium",NA,"[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C2C(=C1)C(O[PH+]2C3=CC=CC=C3C(C(F)(F)F)(C(F)(F)F)[O-])(C(F)(F)F)C(F)(F)F.[Re]","UXXORNZMGAGXFF-UHFFFAOYSA-O",6711324,NA,"PDBC17581","618638","Present",NA,NA
+"17582","2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]etha",NA,"C1=CSC(=C1CCO)C2=C(C=C(S2)C3=CC(=C(S3)C4=C(C=C(S4)C5=CC(=C(S5)C6=C(C=CS6)CCO)CCO)CCO)CCO)CCO","FDBOCQYTXBDDQA-UHFFFAOYSA-N",396461,NA,"PDBC17582","702435","Present",NA,NA
+"17583","2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[3-(2-Hydroxyethyl)-5-[4-(2-hydroxyethyl)-5-[3-(2-hydroxyethyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-3-yl]ethanol",NA,"C1=CSC(=C1CCO)C2=C(C=C(S2)C3=CC(=C(S3)C4=C(C=CS4)CCO)CCO)CCO","UFOPMNRLMCBLBZ-UHFFFAOYSA-N",396460,NA,"PDBC17583","702434","Present",NA,NA
+"17584","2-[2-[3-Methyl-2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[3-methyl-2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[3-Methyl-2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[3-methyl-2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethylsulfanyl]ethoxycarbon",NA,"CN1C(=O)C(=CN(C1=O)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC3=CC=CC=C3)C(=O)NC(=O)OCC4=CC=CC=C4","FBSPQYFRDYYORT-UHFFFAOYSA-N",366482,NA,"PDBC17584","634942","Present",NA,NA
+"17585","2-[2-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy]ethoxy]ethyl carbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-[P-(1,1,3,3-TETRAMETHYBUTYL)PHENOXY]ETHOXY]ETHYL...",NA,"CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOCCSC(=N)N.Cl","DJOZLRPUXHAYCL-UHFFFAOYSA-N",24180757,NA,"PDBC17585","738","Present",NA,NA
+"17586","2-[2-[4-(3-Chloro-1,4-dihydroxy-5,8-dioxonaphthalen-2-yl)piperazin-1-yl]ethoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[4-(3-Chloro-1,4-dihydroxy-5,8-dioxonaphthalen-2-yl)piperazin-1-yl]ethoxy]ethyl acetate",NA,"CC(=O)OCCOCCN1CCN(CC1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","YJDSHGQPJNTCFG-UHFFFAOYSA-N",378769,NA,"PDBC17586","661939","Present",NA,NA
+"17587","2-[2-[4-[(2,4-Diaminopteridin-6-yl)methylamino]phenyl]-2-oxoethyl]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[4-[(2,4-Diaminopteridin-6-yl)methylamino]phenyl]-2-oxoethyl]pentanedioic acid",NA,"C1=CC(=CC=C1C(=O)CC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N","LRFMLHUPQULXRR-UHFFFAOYSA-N",15950455,NA,"PDBC17587","747292","Present",NA,NA
+"17588","2-[2-[4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethoxy]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-{4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl}ethoxy)ethanol",NA,"C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)CCOCCO","LGHPAZPGUBMOBO-UHFFFAOYSA-N",403199,NA,"PDBC17588","717854","Present",NA,NA
+"17589","2-[2-[5-(Butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[5-(Butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate",NA,"CCCCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCCCC","SNGFHGFOLQRBKC-UHFFFAOYSA-N",364906,NA,"PDBC17589","631734","Present",NA,NA
+"17590","2-[2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxy]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxy]ethoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxy]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxy]ethoxycarbonylamino]hexyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCOCCOC(=O)NCCCCCCNC(=O)OCCOCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","SWGIYRBRBVFAAY-UHFFFAOYSA-N",364730,NA,"PDBC17590","631388","Present",NA,NA
+"17591","2-[2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","AWEPXDHELRCXIS-UHFFFAOYSA-N",362008,NA,"PDBC17591","625512","Present",NA,NA
+"17592","2-[2-[5-(Ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[5-(Ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethyl N-[6-[2-[2-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]ethylsulfanyl]ethoxycarbonylamino]hexyl]",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)CCSCCOC(=O)NCCCCCCNC(=O)OCCSCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC","ZHYXJJHAKPJNTQ-UHFFFAOYSA-N",367630,NA,"PDBC17592","637505","Present",NA,NA
+"17593","2-[2-[6-(Benzylamino)purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[6-(Benzylamino)purin-9-yl]ethyl-(2-hydroxyethyl)amino]ethanol",NA,"C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)CCN(CCO)CCO","SYQYHCGSXCEBDV-UHFFFAOYSA-N",386254,NA,"PDBC17593","677997","Present",NA,NA
+"17594","2-[2-[6-(Diethylamino)purin-9-yl]ethylamino]-2-(hydroxymethyl)propane-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[6-(Diethylamino)purin-9-yl]ethylamino]-2-(hydroxymethyl)propane-1,3-diol",NA,"CCN(CC)C1=NC=NC2=C1N=CN2CCNC(CO)(CO)CO","BOFICWMKZNTQGG-UHFFFAOYSA-N",386255,NA,"PDBC17594","677998","Present",NA,NA
+"17595","2-[2-[Bis(2-hydroxyethyl)amino]ethyl]benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[Bis(2-hydroxyethyl)amino]ethyl]benzo[de]isoquinoline-1,3-dione",NA,"C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCN(CCO)CCO","ZHBMPLTZDUHWHL-UHFFFAOYSA-N",357359,NA,"PDBC17595","615793","Present",NA,NA
+"17596","2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-2,5-diazabicyclo[2.2.1]heptane;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-2,5-diazabicyclo[2.2.1]heptane ethanedioate",NA,"C1C2CNC1CN2CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.C(=O)(C(=O)O)O","BOOYGABFMMCSDK-UHFFFAOYSA-N",401874,NA,"PDBC17596","715569","Present",NA,NA
+"17597","2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-5-(3-phenylpropyl)-2,5-diazabicyclo[2.2.1]heptane;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-5-(3-phenylpropyl)-2,5-diazabicyclo[2.2.1]heptane;oxalic acid",NA,"C1C2CN(C1CN2CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)CCCC5=CC=CC=C5.C(=O)(C(=O)O)O","FBKYHGQTRSBVRA-UHFFFAOYSA-N",401876,NA,"PDBC17597","715570","Present",NA,NA
+"17598","2-[2-[[(2S,4Ar,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-hydroxy-8-(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10a,10b-pentamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[(2S,4Ar,4bR,6aS,7R,8R,10aR,10bR,12aR)-7-hydroxy-8-(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10a,10b-pentamethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy",NA,"CC(=CCCC1(CCC2(C(C1O)CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)C)CO)CO","MMHOGCZZCGCJMX-TWZCASDLSA-N",5468695,NA,"PDBC17598","674628","Present",NA,NA
+"17599","2-[2-[[(2S,4Ar,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-hydroxy-8,10a-bis(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10b-tetramethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[(2S,4Ar,4bR,6aS,7R,8R,10aS,10bR,12aR)-7-hydroxy-8,10a-bis(hydroxymethyl)-8-[(Z)-5-hydroxy-4-methylpent-3-enyl]-1,1,4a,10b-tetramethyl-3,4,4b,5,6,6a,7,9,10,11,12,12a-dodecahydro-2H-chrysen-2-yl]",NA,"CC(=CCCC1(CCC2(C(C1O)CCC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(CO5)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)CO)CO)CO","PZCDUVGZEQXVFC-MPDQHISWSA-N",5468694,NA,"PDBC17599","674627","Present",NA,NA
+"17600","2-[2-[[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[5-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]pentyl]pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NCCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4NC(=O)C)(C)OCC5=CC=CC=C5)CO)O","KOGMQMFXOGAMFW-UHFFFAOYSA-N",388677,NA,"PDBC17600","683695","Present",NA,NA
+"17601","2-[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2)C(=O)N)NC(=O)COC5C(C(OC(C5O)CO)OCC6=CC=CC=C6)NC(=O)C","DPNMQPLTYKKMJL-UHFFFAOYSA-N",6712904,NA,"PDBC17601","719484","Present",NA,NA
+"17602","2-[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[6-oxo-6-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]hexyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[6-oxo-6-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]hexyl]pentanediamide",NA,"CC(C(=O)NC(CCC(=O)NCCCCCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2)C(=O)N)NC(=O)COC5C(C(OC(C5O)CO)OCC6=CC=CC=C6)NC(=O)C","GWQWQCJJTXJODG-UHFFFAOYSA-N",6712905,NA,"PDBC17602","719485","Present",NA,NA
+"17603","2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-Acetamido-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]propanoylamino]-N-[6-amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-Acetamido-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-",NA,"CC(C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N)NC(=O)CNC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CO)NC(=O)C(CC3=CNC=N3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CO)NC(=O)C6CCCN6C(=O)C(CC7=CNC8=CC=CC=C87)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C","ICZXKUKCBCWCRM-UHFFFAOYSA-N",16129812,NA,"PDBC17603","676933","Present",NA,NA
+"17604","2-[2-[[22-[2-(2-Hydroxyethoxy)ethoxy]-2,7,12,17-tetraphenyl-21,23,24,25-tetraza-22-phosphoniahexacyclo[9.9.3.13,6.113,16.08,23.018,21]pentacosa-1(20),2,4,6(25),7,9,11,13(24),14,16,18-undecaen-22-yl]oxy]ethoxy]ethanol;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphorus(1+) bis[[2,2'-oxybis(ethanolato)](1-)-O'] [5,...",NA,"C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC5=C(C6=NC(=C(C7=CC=C2N7[P+](N45)(OCCOCCO)OCCOCCO)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C1=CC=CC=C1.[Cl-]","ZYVRCAXRVADBSQ-UHFFFAOYSA-M",387854,NA,"PDBC17604","682067","Present",NA,NA
+"17605","2-[2-[[4-[10-[10-[4-[[1,3-Bis(dicyanomethylidene)inden-2-ylidene]methyl]phenoxy]decyldisulfanyl]decoxy]phenyl]methylidene]-3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[4-[10-[10-[4-[[1,3-Bis(dicyanomethylidene)inden-2-ylidene]methyl]phenoxy]decyldisulfanyl]decoxy]phenyl]methylidene]-3-(dicyanomethylidene)inden-1-ylidene]propanedinitrile",NA,"C1=CC=C2C(=C1)C(=C(C#N)C#N)C(=CC3=CC=C(C=C3)OCCCCCCCCCCSSCCCCCCCCCCOC4=CC=C(C=C4)C=C5C(=C(C#N)C#N)C6=CC=CC=C6C5=C(C#N)C#N)C2=C(C#N)C#N","AQRBTXBUOLCYMI-UHFFFAOYSA-N",400761,NA,"PDBC17605","713192","Present",NA,NA
+"17606","2-[3,3-Bis(4-methylphenyl)-2-benzothiophen-1-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,3-Bis(4-methylphenyl)-2-benzothiophen-1(3H)-ylidene]propanedinitrile",NA,"CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=C(C#N)C#N)S2)C4=CC=C(C=C4)C","WMXOTLYSLGXBMB-UHFFFAOYSA-N",376974,NA,"PDBC17606","658174","Present",NA,NA
+"17607","2-[3,3-Dimethoxy-1-(3,4,5-trimethoxyphenyl)propylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,3-Dimethoxy-1-(3,4,5-trimethoxyphenyl)propylidene]propanedinitrile",NA,"COC1=CC(=CC(=C1OC)OC)C(=C(C#N)C#N)CC(OC)OC","VYFCFUABADUEOI-UHFFFAOYSA-N",374956,NA,"PDBC17607","653614","Present",NA,NA
+"17608","2-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-thioxo-4H-1,2,4-triazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"as-Triazine-3,5(2H,4H)-dione, 2-.beta.-D-ribofuranosyl-3...",NA,"C1=NN(C(=S)NC1=O)C2C(C(C(O2)CO)O)O","TVCBDTCUOVDLNZ-UHFFFAOYSA-N",3664418,NA,"PDBC17608","146268","Present",NA,NA
+"17609","2-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]thiazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]thiazole-4-carboxamide",NA,"C1C(C(C(O1)CO)O)(C2=NC(=CS2)C(=O)N)O","UQMCDFVSMMCFKQ-UHFFFAOYSA-N",393731,NA,"PDBC17609","696249","Present",NA,NA
+"17610","2-[3,5(Trimethoxy)benzylamino]-3-phenyl-5,7-diamino quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3,4,5(trimethoxy)benzylamino]-3-phenyl-5,7-diamino qu...",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","OMZKQPBRHRPQRH-UHFFFAOYSA-N",24204259,NA,"PDBC17610","731129","Present",NA,NA
+"17611","2-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"C1=CC(=CC=C1NC(=NS(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NO)Cl","LVGVNTOZYKKMBY-UHFFFAOYSA-N",9572189,NA,"PDBC17611","707032","Present",NA,NA
+"17612","2-[3,6-Bis(phenylmethoxy)-9H-xanthen-9-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3,6-Bis(phenylmethoxy)-9H-xanthen-9-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide",NA,"COC1=C(C=C(C=C1)CCNC(=O)C2=CC=CC=C2C3C4=C(C=C(C=C4)OCC5=CC=CC=C5)OC6=C3C=CC(=C6)OCC7=CC=CC=C7)OC","BFEFBCPPUDYLDD-UHFFFAOYSA-N",398083,NA,"PDBC17612","707448","Present",NA,NA
+"17613","2-[3,7-Diamino quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3,4(dichloro)phenyltio]-3-phenyl-5,7-diamino quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2SC4=CC(=C(C=C4)Cl)Cl)N)N","XISMPHFRKUSUAZ-UHFFFAOYSA-N",24203448,NA,"PDBC17613","728041","Present",NA,NA
+"17614","2-[3-(1,3-Dimethylimidazolidin-2-yl)phenyl]-1,3-dimethylimidazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(1,3-Dimethylimidazolidin-2-yl)phenyl]-1,3-dimethylimidazolidine",NA,"CN1CCN(C1C2=CC(=CC=C2)C3N(CCN3C)C)C","IFHCYMOYZBAVED-UHFFFAOYSA-N",359185,NA,"PDBC17614","619867","Present",NA,NA
+"17615","2-[3-(10-Chloroanthracen-9-yl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(10-Chloroanthracen-9-yl)-4,6-dioxo-5-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"C1=CC=C(C=C1)C(C(=O)N)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)Cl","OJIUQUHZHQMTDD-UHFFFAOYSA-N",401597,NA,"PDBC17615","715293","Present",NA,NA
+"17616","2-[3-(10-Chloroanthracen-9-yl)-5-(2,3-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(10-Chloroanthracen-9-yl)-5-(2,3-dimethylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"CC1=C(C(=CC=C1)N2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=C6C=CC=CC6=C(C7=CC=CC=C75)Cl)C","SXUMLEVGKFCHDK-UHFFFAOYSA-N",402786,NA,"PDBC17616","717037","Present",NA,NA
+"17617","2-[3-(10-Chloroanthracen-9-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(10-Chloroanthracen-9-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"C1=CC=C(C=C1)C(C(=O)N)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC5=CC=CC=C54)C6=C7C=CC=CC7=C(C8=CC=CC=C86)Cl","RSHYOUWYBGZAQZ-UHFFFAOYSA-N",402785,NA,"PDBC17617","717036","Present",NA,NA
+"17618","2-[3-(1H-Benzimidazol-2-yl)-6-phenyl-2-(1-piperidyl)-1,4-dihydropyridin-4-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(1H-Benzimidazol-2-yl)-6-phenyl-2-(1-piperidinyl)-1,4-dihydro-4-pyridinyl)phenol",NA,"C1CCN(CC1)C2=C(C(C=C(N2)C3=CC=CC=C3)C4=CC=CC=C4O)C5=NC6=CC=CC=C6N5","XECDJUHIUDDYCD-UHFFFAOYSA-N",378078,NA,"PDBC17618","659811","Present",NA,NA
+"17619","2-[3-(1H-Indol-3-ylmethyl)piperidin-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(1h-Indol-3-ylmethyl)-1-piperidyl]acetic acid",NA,"C1CC(CN(C1)CC(=O)O)CC2=CNC3=CC=CC=C32","AXAHQCGSEIRMQJ-UHFFFAOYSA-N",396996,NA,"PDBC17619","704233","Present",NA,NA
+"17620","2-[3-(2,4-Dichlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(2,4-Dichlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol",NA,"C1C(N(N=C1C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=C(C=C(C=C5)Cl)Cl","XIPFDLFRGVWTDZ-UHFFFAOYSA-N",390452,NA,"PDBC17620","687806","Present",NA,NA
+"17621","2-[3-(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethoxy)-propyl]-isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylmethoxy)-propyl]-isoindole-1,3-dione",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOCC3=CNC(=O)NC3=O","IFZJKKBYRIJOBB-UHFFFAOYSA-N",373127,NA,"PDBC17621","649069","Present",NA,NA
+"17622","2-[3-(2,5-Dichloro-phenylsulfanyl)-3-p-tolyl-allylidene]-mal ononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(2,5-Dichloro-phenylsulfanyl)-3-p-tolyl-allylidene]...",NA,"CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=C(C=CC(=C2)Cl)Cl","DVALOXOFGMNUCR-NVMNQCDNSA-N",5473090,NA,"PDBC17622","723647","Present",NA,NA
+"17623","2-[3-(2-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phenyl)-allylidene]-malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(2-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phen...",NA,"C1=CC(=CC=C1C(=CC=C(C#N)C#N)SC2=C(C=C(C=C2)F)Cl)Cl","IPOZZDWMWVRBCD-IDUWFGFVSA-N",18526618,NA,"PDBC17623","727948","Present",NA,NA
+"17624","2-[3-(2-Cyanophenyl)-2-hydroxy-2-methylpropyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(2-Cyanophenyl)-2-hydroxy-2-methylpropyl]benzonitrile",NA,"CC(CC1=CC=CC=C1C#N)(CC2=CC=CC=C2C#N)O","MMHSTDIABBNAHE-UHFFFAOYSA-N",400932,NA,"PDBC17624","713616","Present",NA,NA
+"17625","2-[3-(3,4,5-Trimethoxyphenyl)acryloyl]-3-methylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Methyl-1,4-dioxy-quinoxalin-2-yl)-3-(3,4,5-trimetho...",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","CFNHGTLEPYTDDJ-MDZDMXLPSA-N",44434461,NA,"PDBC17625","741737","Present",NA,NA
+"17626","2-[3-(3-Aminopropoxy)-2-naphthamido)-5-chlorophenyl-3-(3-aminopropoxy)-2-naphthoate dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(3-Aminopropoxy)-2-naphthamido)-5-chlorophenyl-3-(3...",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=C(C=C(C=C3)Cl)OC(=O)C4=CC5=CC=CC=C5C=C4OCCCN)OCCCN.Cl","VJFKEBZMNSAOIO-UHFFFAOYSA-N",54613723,NA,"PDBC17626","751300","Present",NA,NA
+"17627","2-[3-(3-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phenyl)-allylidene]-malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(3-Chloro-4-fluoro-phenylsulfanyl)-3-(4-chloro-phen...",NA,"C1=CC(=CC=C1C(=CC=C(C#N)C#N)SC2=CC(=C(C=C2)F)Cl)Cl","ZZBHKVIOLKCSRC-LSCVHKIXSA-N",18527565,NA,"PDBC17627","735431","Present",NA,NA
+"17628","2-[3-(3-Methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(3-Methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyacetic acid",NA,"CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OCC(=O)O)C","CWCKYSOKAILEQL-UHFFFAOYSA-N",263534,NA,"PDBC17628","98026","Present",NA,NA
+"17629","2-[3-(4,5-Dichloro-3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)propanoyl]hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4,5-Dichloro-3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)propanoyl]hydrazinecarboxamide",NA,"C(CN1C(=O)C(=C(C(=O)N1)Cl)Cl)C(=O)NNC(=O)N","FWRFHFRSMICJPX-UHFFFAOYSA-N",365864,NA,"PDBC17629","633939","Present",NA,NA
+"17630","2-[3-(4-Chloro-phenyl)-3-(1-methyl-1H-imidazol-2-ylsulfanyl)-allylidene]-malonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4-Chloro-phenyl)-3-(1-methyl-1H-imidazol-2-ylsulfa...",NA,"CN1C=CN=C1SC(=CC=C(C#N)C#N)C2=CC=C(C=C2)Cl","GFKVMAYZHSCZEZ-CHHVJCJISA-N",5473150,NA,"PDBC17630","724277","Present",NA,NA
+"17631","2-[3-(4-Chloro-phenyl)-3-(2,5,6-tetrachloro-pyridin-4-ylsu lfanyl)-allylidene]-malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4-Chloro-phenyl)-3-(2,3,5,6-tetrachloro-pyridin-4-...",NA,"C1=CC(=CC=C1C(=CC=C(C#N)C#N)SC2=C(C(=NC(=C2Cl)Cl)Cl)Cl)Cl","TYZHBWNPQLKSTI-SDQBBNPISA-N",5473091,NA,"PDBC17631","723648","Present",NA,NA
+"17632","2-[3-(4-Chloro-phenyl)-3-(6-ethoxy-benzothiazol-2-ylsulfanyl)-allylidene]-malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4-Chloro-phenyl)-3-(6-ethoxy-benzothiazol-2-ylsulf...",NA,"CCOC1=CC2=C(C=C1)N=C(S2)SC(=CC=C(C#N)C#N)C3=CC=C(C=C3)Cl","SUSXABDYIIGQSX-VXLYETTFSA-N",6522377,NA,"PDBC17632","727951","Present",NA,NA
+"17633","2-[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-3-phenyl-propion ic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-3-phenyl-pro...",NA,"COC(=O)C(CC1=CC=CC=C1)NC=CC(=O)C2=CC=C(C=C2)Cl","ZHBYPDRYQALCDT-QXMHVHEDSA-N",18531921,NA,"PDBC17633","728222","Present",NA,NA
+"17634","2-[3-(4-Chloro-phenylsulfanyl)-3-(4-fluoro-phenyl)-allyliden e]-malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4-Chloro-phenylsulfanyl)-3-(4-fluoro-phenyl)-allyl...",NA,"C1=CC(=CC=C1C(=CC=C(C#N)C#N)SC2=CC=C(C=C2)Cl)F","HDQUEDRELODXLJ-ZDLGFXPLSA-N",5372567,NA,"PDBC17634","725050","Present",NA,NA
+"17635","2-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]-3-(1H-pyrrol-2-yl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]-3-(1H-py...",NA,"C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=CC4=CC=CN4)C#N","FEOUVUKHTREKFD-GHRIWEEISA-N",135968258,NA,"PDBC17635","749220","Present",NA,NA
+"17636","2-[3-(4-Chlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4-Chlorophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol",NA,"C1C(N(N=C1C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C5=CC=C(C=C5)Cl","ULAMKFRJZLAJEZ-UHFFFAOYSA-N",390451,NA,"PDBC17636","687805","Present",NA,NA
+"17637","2-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-[[3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-hydroxyphenyl]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-[[3-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-4-hydroxyphenyl]methyl]phenol",NA,"C1C(NN=C1C2=CC=C(C=C2)Cl)C3=C(C=CC(=C3)CC4=CC(=C(C=C4)O)C5CC(=NN5)C6=CC=C(C=C6)Cl)O","INMQHLIMMGRRJC-UHFFFAOYSA-N",53306274,NA,"PDBC17637","751619","Present",NA,NA
+"17638","2-[3-(4-Dimethylaminophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4-Dimethylaminophenyl)-2-(2,4-dinitrophenyl)-3,4-dihydropyrazol-5-yl]naphthalen-1-ol",NA,"CN(C)C1=CC=C(C=C1)C2CC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C5=CC=CC=C5C=C4)O","NQIJMZSOWUXEOX-UHFFFAOYSA-N",390454,NA,"PDBC17638","687808","Present",NA,NA
+"17639","2-[3-(4-Hydroxyphenyl)-1,2-oxazol-5-yl]benzene-1,3,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(4-Hydroxyphenyl)-1,2-oxazol-5-yl]benzene-1,3,5-triol",NA,"C1=CC(=CC=C1C2=NOC(=C2)C3=C(C=C(C=C3O)O)O)O","FNLGQAWZJZWYAA-UHFFFAOYSA-N",379810,NA,"PDBC17639","664910","Present",NA,NA
+"17640","2-[3-(4-Methylpiperazino)propionylamino]-4-thiazolecarboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[3-(4-methylpiperazin-1-yl)propanoylamino]thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CCN2CCN(CC2)C","GIIRGXQHYFGMPI-UHFFFAOYSA-N",396830,NA,"PDBC17640","703834","Present",NA,NA
+"17641","2-[3-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylide ne]-malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(6-Ethoxy-benzothiazol-2-ylsulfanyl)-3-p-tolyl-ally...",NA,"CCOC1=CC2=C(C=C1)N=C(S2)SC(=CC=C(C#N)C#N)C3=CC=C(C=C3)C","OHXWFXOVGDRAPA-RGVLZGJSSA-N",6529944,NA,"PDBC17641","728218","Present",NA,NA
+"17642","2-[3-(9-Ethylcarbazol-2-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(9-Ethylcarbazol-2-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"CCN1C2=CC=CC=C2C3=C1C=C(C=C3)C4C5C(C(=O)N(C5=O)C6=CC=CC7=CC=CC=C76)ON4C(C8=CC=CC=C8)C(=O)N","AQNKYYJLLBVRMD-UHFFFAOYSA-N",402783,NA,"PDBC17642","717034","Present",NA,NA
+"17643","2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-chloro-phenyl)-allylid ene]-malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-chloro-phenyl)-all...",NA,"C1=CC=C2C(=C1)N=C(S2)SC(=CC=C(C#N)C#N)C3=CC=C(C=C3)Cl","FAZLHXTVIVXNMV-YVLHZVERSA-N",5473316,NA,"PDBC17643","725052","Present",NA,NA
+"17644","2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-methoxy-phenyl)-allyli dene]-malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(Benzothiazol-2-ylsulfanyl)-3-(4-methoxy-phenyl)-al...",NA,"COC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=NC3=CC=CC=C3S2","RDYSRPPSUCPBDW-WOJGMQOQSA-N",5715272,NA,"PDBC17644","732122","Present",NA,NA
+"17645","2-[3-(Carboxymethyl)-2,2-dimethylcyclohexyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(Carboxymethyl)-2,2-dimethyl-cyclohexyl]acetic acid",NA,"CC1(C(CCCC1CC(=O)O)CC(=O)O)C","MKHBBZDYDZDXPP-UHFFFAOYSA-N",245986,NA,"PDBC17645","58520","Present",NA,NA
+"17646","2-[3-(Carboxymethyl)-2-methylpiperidin-4-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(Carboxymethyl)-2-methylpiperidin-4-yl]acetic acid",NA,"CC1C(C(CCN1)CC(=O)O)CC(=O)O","QACOOJQHEYNJEN-UHFFFAOYSA-N",242459,NA,"PDBC17646","51132","Present",NA,NA
+"17647","2-[3-(Chloromethyl)-6-nitro-2,3-dihydroindole-1-carbonyl]-N-(2-morpholin-4-ylethyl)-1H-indole-6-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(Chloromethyl)-6-nitro-2,3-dihydroindole-1-carbonyl]-N-(2-morpholin-4-ylethyl)-1H-indole-6-carboxamide;hydrochloride",NA,"C1COCCN1CCNC(=O)C2=CC3=C(C=C2)C=C(N3)C(=O)N4CC(C5=C4C=C(C=C5)[N+](=O)[O-])CCl.Cl","BYHCSCWHAUNYTQ-UHFFFAOYSA-N",389903,NA,"PDBC17647","686557","Present",NA,NA
+"17648","2-[3-(Cyano-phenyl-methyl)-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenyl-acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[Cyano(phenyl)methyl]-2-(2-hydroxyphenyl)-1,3-diazinan-1-yl]-2-phenylacetonitrile",NA,"C1CN(C(N(C1)C(C#N)C2=CC=CC=C2)C3=CC=CC=C3O)C(C#N)C4=CC=CC=C4","URGZWCGWLFKZMA-UHFFFAOYSA-N",416751,NA,"PDBC17648","81540","Present",NA,NA
+"17649","2-[3-(Dicyanomethylidene)-2-[[4-(10-methylsulfanyldecoxy)phenyl]methylidene]inden-1-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(Dicyanomethylidene)-2-[[4-(10-methylsulfanyldecoxy)phenyl]methylidene]inden-1-ylidene]propanedinitrile",NA,"CSCCCCCCCCCCOC1=CC=C(C=C1)C=C2C(=C(C#N)C#N)C3=CC=CC=C3C2=C(C#N)C#N","QUHFMUCKDBZVPB-UHFFFAOYSA-N",400762,NA,"PDBC17649","713193","Present",NA,NA
+"17650","2-[3-(Dimethylamino)phenyl]quinolin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(Dimethylamino)phenyl]quinolin-4(1h)-one",NA,"CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=CC=CC=C3N2","XWELPBNDFIRDQP-UHFFFAOYSA-N",375357,NA,"PDBC17650","654981","Present",NA,NA
+"17651","2-[3-(Dimethylamino)propyl]-3,4-(1,2-phenylenecarbonyl)-1,2-dihydro-2,6-naphthyridine-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(dimethylamino)propyl)-5H-indeno[1,2-c][2,6]naphthy...",NA,"CN(C)CCCN1C2=C(C3=C(C1=O)C=CN=C3)C(=O)C4=CC=CC=C42","VEHGJNKIAVQNKN-UHFFFAOYSA-N",127044083,NA,"PDBC17651","780889","Present",NA,NA
+"17652","2-[3-(Dimethylamino)propyl]-3,4-(1,2-phenylenecarbonyl)-1,2-dihydro-2,7-naphthyridine-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(dimethylamino)propyl)-5H-indeno[1,2-c][2,7]naphthy...",NA,"CN(C)CCCN1C2=C(C3=C(C1=O)C=NC=C3)C(=O)C4=CC=CC=C42","DUBDZPXTUCXYHD-UHFFFAOYSA-N",122179163,NA,"PDBC17652","780891","Present",NA,NA
+"17653","2-[3-(Dimethylamino)propyl]guanidine;sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC73646",NA,"CN(C)CCCN=C(N)N.OS(=O)(=O)O","PFSBRVAUQQQEMA-UHFFFAOYSA-N",247144,NA,"PDBC17653","73646","Present",NA,NA
+"17654","2-[3-(Dimethylamino)propylamino]-1,4-dihydroxyanthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((3-(Dimethylamino)propyl)amino)-1,4-dihydroxyanthra-9,10-quinone",NA,"CN(C)CCCNC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O","PCIUVTQUMJMKAU-UHFFFAOYSA-N",428781,NA,"PDBC17654","339585","Present",NA,NA
+"17655","2-[3-(Hydroxymethyl)anilino]-3,7-dihydropurin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Purin-6-one, 1,9-dihydro-2-((3-(hydroxymethyl)phenyl)amino)-",NA,"C1=CC(=CC(=C1)NC2=NC3=C(C(=O)N2)NC=N3)CO","GOJOULROYGOFSN-UHFFFAOYSA-N",135435081,NA,"PDBC17655","682529","Present",NA,NA
+"17656","2-[3-(Pyridin-2-ylsulfanyl)-3-p-tolyl-allylidene]-malononitr ile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(Pyridin-2-ylsulfanyl)-3-p-tolyl-allylidene]-malono...",NA,"CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=CC=CC=N2","DKYWCQUURFCQDN-YVLHZVERSA-N",24205332,NA,"PDBC17656","735165","Present",NA,NA
+"17657","2-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(Trichloromethyl)tetrahydrofuran-2-yl]benzotriazole",NA,"C1COC(C1C(Cl)(Cl)Cl)N2N=C3C=CC=CC3=N2","DKXWGSSZGCRMBJ-UHFFFAOYSA-N",388087,NA,"PDBC17657","682550","Present",NA,NA
+"17658","2-[3-(Trifluoromethyl)anilino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(Trifluoromethyl)anilino]-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzamide",NA,"COC1=CC(=CC(=C1OC)OC)C=NNC(=O)C2=CC=CC=C2NC3=CC=CC(=C3)C(F)(F)F","GBGGEWZUDJCWKI-CCVNUDIWSA-N",45029126,NA,"PDBC17658","745485","Present",NA,NA
+"17659","2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxy-N-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxy-N-[2-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]ethyl]acetamide",NA,"CC(=O)NC1C(C(C(OC1(C)OCC2=CC=CC=C2)CO)O)OCC(=O)NCCNC3=C4C(=C(C=C3)[N+](=O)[O-])NC5=CC=CC=C5C4=O","PYUXDKASBUQJKM-UHFFFAOYSA-N",388675,NA,"PDBC17659","683693","Present",NA,NA
+"17660","2-[3-Amino-4-oxo-2-thioxo-thiazolidin-ylidenemethyl]-4-benzy l-4H-furo[3,2-b]pyrrole-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Amino-4-oxo-2-thioxo-thiazolidin-ylidenemethyl]-4-b...",NA,"CC(=O)NN1C(=O)C(=CC2=CC3=C(O2)C=C(N3CC4=CC=CC=C4)C(=O)OC)SC1=S","HWRWBHPQBAOICZ-NVMNQCDNSA-N",24204277,NA,"PDBC17660","731164","Present",NA,NA
+"17661","2-[3-Benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylidene]-malono nitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Benzothiazol-2-ylsulfanyl)-3-p-tolyl-allylidene]-ma...",NA,"CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=NC3=CC=CC=C3S2","OLTJFLPYMRERFI-WQRHYEAKSA-N",18530973,NA,"PDBC17661","727947","Present",NA,NA
+"17662","2-[3-Bromo-4-(acetylamino)phenyl]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Bromo-4-(acetylamino)phenyl]benzothiazole",NA,"CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Br","MGWWXIKQBBOSEX-UHFFFAOYSA-N",394823,NA,"PDBC17662","698673","Present",NA,NA
+"17663","2-[3-Chloro-3-(4-chloro-phenyl)-allylidene]-malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Chloro-3-(4-chloro-phenyl)-allylidene]-malononitrile",NA,"C1=CC(=CC=C1C(=CC=C(C#N)C#N)Cl)Cl","OOQYSQNSVIKCAR-SDQBBNPISA-N",5473313,NA,"PDBC17663","725048","Present",NA,NA
+"17664","2-[3-Chloro-4-(acetylamino)phenyl]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Chloro-4-(acetylamino)phenyl]benzothiazole",NA,"CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)Cl","XYUDZDRRFABYLW-UHFFFAOYSA-N",394825,NA,"PDBC17664","698675","Present",NA,NA
+"17665","2-[3-Chloro-4-[2-[(2E)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]-N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Chloro-4-[2-[(2E)-2-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]-N-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide",NA,"C1=CC(=C(C=C1OCC(=O)NN=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)Cl)OCC(=O)NN=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl","VTQTYTZPRKMVBO-QGZAGHSOSA-N",54611645,NA,"PDBC17665","719152","Present",NA,NA
+"17666","2-[3-Chloro-4-[2-[2-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]hydrazinyl]-2-oxoethoxy]phenoxy]-N'-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Chloro-4-[2-[2-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]hydrazinyl]-2-oxoethoxy]phenoxy]-N'-[4-(2,4-dichloro-5-fluorophenyl)-4,5-dihydro-1,3-thiazol-2-yl]acetohydrazide",NA,"C1C(N=C(S1)NNC(=O)COC2=CC(=C(C=C2)OCC(=O)NNC3=NC(CS3)C4=CC(=C(C=C4Cl)Cl)F)Cl)C5=CC(=C(C=C5Cl)Cl)F","WDEMIGLEHMFABR-UHFFFAOYSA-N",403746,NA,"PDBC17666","719156","Present",NA,NA
+"17667","2-[3-Chloro-phenylsulfanyl)-3-p-tolyl-allylidene]-malononitr ile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Chloro-phenylsulfanyl)-3-p-tolyl-allylidene]-malono...",NA,"CC1=CC=C(C=C1)C(=CC=C(C#N)C#N)SC2=CC=C(C=C2)Cl","ZPSOJYIHDNRGTI-ODLFYWEKSA-N",5473314,NA,"PDBC17667","725049","Present",NA,NA
+"17668","2-[3-Cyano-4,6-bis(4-fluorophenyl)-6-methyl-1,2,5,6-tetrahydropyridin-2-ylidene]propanedinitrile (5d)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Cyano-4,6-bis(4-fluorophenyl)-6-methyl-5,6-dihydropyridin-2(1h)-ylidene]propanedinitrile",NA,"CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC=C(C=C2)F)C3=CC=C(C=C3)F","HMJHUCLFBGAWRD-UHFFFAOYSA-N",400100,NA,"PDBC17668","711592","Present",NA,NA
+"17669","2-[3-Hydroxy-2-[[4-methoxy-2-oxo-5-[(3-phenylmethoxyphenyl)methyl]pyrimidin-1-yl]methoxy]propyl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Hydroxy-2-[[4-methoxy-2-oxo-5-[(3-phenylmethoxyphenyl)methyl]pyrimidin-1-yl]methoxy]propyl]isoindole-1,3-dione",NA,"COC1=NC(=O)N(C=C1CC2=CC(=CC=C2)OCC3=CC=CC=C3)COC(CN4C(=O)C5=CC=CC=C5C4=O)CO","SPIQCAZTDLEAJN-UHFFFAOYSA-N",360828,NA,"PDBC17669","623291","Present",NA,NA
+"17670","2-[3-Hydroxy-4-(acetylamino)phenyl]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Hydroxy-4-(acetylamino)phenyl]benzothiazole",NA,"CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)O","LNNXVNLFEWMDCK-UHFFFAOYSA-N",395431,NA,"PDBC17670","699969","Present",NA,NA
+"17671","2-[3-Iodo-4-(acetylamino)phenyl]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Iodo-4-(acetylamino)phenyl]benzothiazole",NA,"CC(=O)NC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)I","WLDKTFGDGDSFHA-UHFFFAOYSA-N",394822,NA,"PDBC17671","698672","Present",NA,NA
+"17672","2-[3-Methoxy-4-oxo-2-(2-thienyl)chromen-8-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Methoxy-4-oxo-2-(2-thienyl)chromen-8-yl]acetic acid",NA,"COC1=C(OC2=C(C=CC=C2C1=O)CC(=O)O)C3=CC=CS3","FSAOWBYNKJTYNX-UHFFFAOYSA-N",388156,NA,"PDBC17672","682720","Present",NA,NA
+"17673","2-[3-Methyl-4-[acetoxy(acetyl)amino]phenyl]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Methyl-4-[acetoxy(acetyl)amino]phenyl]benzothiazole",NA,"CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N(C(=O)C)OC(=O)C","HKTUANSLAHBTFQ-UHFFFAOYSA-N",396348,NA,"PDBC17673","702152","Present",NA,NA
+"17674","2-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(4-Chlorobenzyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)hexahydro-1H-isoindole-1,3(2H)-dione",NA,"C1CCC2C(C1)C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)Cl","FXKLXZIUKVUUSQ-UHFFFAOYSA-N",387568,NA,"PDBC17674","681525","Present",NA,NA
+"17675","2-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione",NA,"C1C=CCC2C1C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)Cl","OERIBQXTNFEFTA-UHFFFAOYSA-N",388167,NA,"PDBC17675","682731","Present",NA,NA
+"17676","2-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)Cl","SKHWHFOUWULQAS-UHFFFAOYSA-N",390059,NA,"PDBC17676","686973","Present",NA,NA
+"17677","2-[3-[(4-Nitrophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(4-Nitrophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)N3C(=NNC3=O)CC4=CC=C(C=C4)[N+](=O)[O-]","HNMOOPYGKBXUCL-UHFFFAOYSA-N",386448,NA,"PDBC17677","678477","Present",NA,NA
+"17678","2-[3-[(E)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(E)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=CC(=CC=C3)OCC(=O)NC4=NC=CS4)O2","YLWWJQSJZVTASR-GZTJUZNOSA-N",45028627,NA,"PDBC17678","743508","Present",NA,NA
+"17679","2-[3-[(E)-(4-Oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(E)-(4-Oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,"C1C(=CC2=CC(=CC=C2)OCC(=O)NC3=NC=CS3)C(=O)C4=CC=CC=C4O1","AQLNOCXXBKJOHR-XNTDXEJSSA-N",45028759,NA,"PDBC17679","744064","Present",NA,NA
+"17680","2-[3-[(Z)-(4-Oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(Z)-(4-Oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,"C1C(=CC2=CC(=CC=C2)OCC(=O)NC3=NC=CS3)C(=O)C4=CC=CC=C4S1","IGPYRHRGXTYWGN-XNTDXEJSSA-N",45028766,NA,"PDBC17680","744071","Present",NA,NA
+"17681","2-[3-[(Z)-(5-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(Z)-(5-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide",NA,"COC1=CC2=C(C=C1)OC(=CC3=CC(=CC=C3)OCC(=O)NC4=NC5=C(S4)CCCC5)C2=O","LEXCGYOATXBDSE-MTJSOVHGSA-N",45028746,NA,"PDBC17681","744048","Present",NA,NA
+"17682","2-[3-[(Z)-(6-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[(Z)-(6-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide",NA,"COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)OCC(=O)NC4=NC5=C(S4)CCCC5)O2","RCFJRIASFJUXDF-MTJSOVHGSA-N",45028679,NA,"PDBC17682","743691","Present",NA,NA
+"17683","2-[3-[1-(3,6-Dihydro-2H-pyridin-1-yl)cyclohexyl]phenoxy]acetonitrile;methanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[1-(3,6-Dihydro-2H-pyridin-1-yl)cyclohexyl]phenoxy]acetonitrile; methanesulfonic acid",NA,"CS(=O)(=O)O.C1CCC(CC1)(C2=CC(=CC=C2)OCC#N)N3CCC=CC3","XYXNTZSSLAKKFJ-UHFFFAOYSA-N",398099,NA,"PDBC17683","707464","Present",NA,NA
+"17684","2-[3-[1-(4-Chlorophenyl)-1-methyl-3-oxo-isoindolin-2-yl]propyl]isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[1-(4-Chlorophenyl)-1-methyl-3-oxo-isoindolin-2-yl]propyl]isoindoline-1,3-dione",NA,"CC1(C2=CC=CC=C2C(=O)N1CCCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl","UEOYGPOGBFKUCM-UHFFFAOYSA-N",395648,NA,"PDBC17684","700430","Present",NA,NA
+"17685","2-[3-[2-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]oxyethoxyamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[2-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]oxyethoxyamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide",NA,"C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNOCCONCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br","KAYJZXOGLLKVOQ-UHFFFAOYSA-N",397639,NA,"PDBC17685","706001","Present",NA,NA
+"17686","2-[3-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide",NA,"C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNCCCNCCCCNCCCNCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br","QZXKAVHAVUXMDZ-UHFFFAOYSA-N",397641,NA,"PDBC17686","706002","Present",NA,NA
+"17687","2-[3-[4,6-Bis[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]-1,3,5-triazin-2-yl]-5-(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[4,6-Bis[3,5-bis(2-hydroxyethyl)-1,3,5-triazinan-1-yl]-1,3,5-triazin-2-yl]-5-(2-hydroxyethyl)-1,3,5-triazinan-1-yl]ethanol",NA,"C1N(CN(CN1CCO)C2=NC(=NC(=N2)N3CN(CN(C3)CCO)CCO)N4CN(CN(C4)CCO)CCO)CCO","IMCJZNOJBJNQPD-UHFFFAOYSA-N",384053,NA,"PDBC17687","673172","Present",NA,NA
+"17688","2-[3-[4,6-Bis[3-(2-hydroxyethyl)-1,3-diazetidin-1-yl]-1,3,5-triazin-2-yl]-1,3-diazetidin-1-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[4,6-Bis[3-(2-hydroxyethyl)-1,3-diazetidin-1-yl]-1,3,5-triazin-2-yl]-1,3-diazetidin-1-yl]ethanol",NA,"C1N(CN1C2=NC(=NC(=N2)N3CN(C3)CCO)N4CN(C4)CCO)CCO","YNKOUMYYWLUZJS-UHFFFAOYSA-N",387275,NA,"PDBC17688","680926","Present",NA,NA
+"17689","2-[3-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl...",NA,"C1=CC=C2C(=C1)C(=CN2CCOC(=O)N)C3=NC(=CS3)C4=CNC5=C4C=CC=N5","OVIJJYXVZNQWQT-UHFFFAOYSA-N",155807301,NA,"PDBC17689","789178","Present",NA,NA
+"17690","2-[3-[4-[2-[(4-Chloro-3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]-2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[4-[2-[(4-Chloro-3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]-2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-5-yl]acetic acid",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(SC(C4=O)CC(=O)O)C5=CC=CC=C5O)Cl","QAIUVIZFZVKINX-UHFFFAOYSA-N",402746,NA,"PDBC17690","716940","Present",NA,NA
+"17691","2-[3-[4-[2-[(4-Chloro-3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-5-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[4-[2-[(4-Chloro-3-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-5-yl]acetic acid",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(SC(C4=O)CC(=O)O)C5=CC=CS5)Cl","YFOMIXVKQFXFAD-UHFFFAOYSA-N",402747,NA,"PDBC17691","716941","Present",NA,NA
+"17692","2-[3-[4-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[4-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide",NA,"C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNCCCCNCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br","VNYATEIBBXMKES-UHFFFAOYSA-N",397637,NA,"PDBC17692","706000","Present",NA,NA
+"17693","2-[3-[5-[3-(1H-Benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-[1,5-pentanediylbis(oxy-1,3-phenylene)]bis-1H-benzi...",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)OCCCCCOC4=CC=CC(=C4)C5=NC6=CC=CC=C6N5","QZPOASXCOYQSRX-UHFFFAOYSA-N",25255579,NA,"PDBC17693","741911","Present",NA,NA
+"17694","2-[3-[Bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)anilino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[Bis(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)anilino]ethanol",NA,"C1=CC(=CC(=C1)N(CCO)CCO)N(CCO)CCO","UFLNANCPKMWCDK-UHFFFAOYSA-N",361755,NA,"PDBC17694","625021","Present",NA,NA
+"17695","2-[3-[Cyano(phenyl)methyl]-4-hydroxy-6-iminoquinoxalin-2-yl]-2-phenylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[Cyano(phenyl)methyl]-4-hydroxy-6-iminoquinoxalin-2-yl]-2-phenylacetonitrile",NA,"C1=CC=C(C=C1)C(C#N)C2=C(N(C3=CC(=N)C=CC3=N2)O)C(C#N)C4=CC=CC=C4","SUJPTDQYJVXQSS-UHFFFAOYSA-N",3556767,NA,"PDBC17695","621191","Present",NA,NA
+"17696","2-[3-[Cyano-(4-dimethylaminophenyl)methyl]-2-(4-dimethylaminophenyl)-1,3-diazinan-1-yl]-2-(4-dimethylaminophenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[Cyano-[4-(dimethylamino)phenyl]methyl]-2-[4-(dimethylamino)phenyl]-1,3-diazinan-1-yl]-2-[4-(dimethylamino)phenyl]acetonitrile",NA,"CN(C)C1=CC=C(C=C1)C2N(CCCN2C(C#N)C3=CC=C(C=C3)N(C)C)C(C#N)C4=CC=C(C=C4)N(C)C","QGASXWYQEWMZLX-UHFFFAOYSA-N",417755,NA,"PDBC17696","95025","Present",NA,NA
+"17697","2-[3-[Methyl-[2-[methyl-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethyl]amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[Methyl-[2-[methyl-[3-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]amino]ethyl]amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione;hydrochloride",NA,"CN(CCCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])CCN(C)CCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-].Cl","IGHUBFKZSFOTSM-UHFFFAOYSA-N",357369,NA,"PDBC17697","615802","Present",NA,NA
+"17698","2-[3-[[4-[(3-Nitroacridin-9-yl)amino]phenyl]sulfamoyl]propyl]guanidine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanesulfonamide, 3-[(aminoiminomethyl)amino]-N-[4-[...",NA,"C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NS(=O)(=O)CCCN=C(N)N.Cl","OPSGDYHBXKMPNO-UHFFFAOYSA-N",5351256,NA,"PDBC17698","177365","Present",NA,NA
+"17699","2-[4,10-Bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4,10-Bis(3-aminopropyl)-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid",NA,"C1CN(CCN(CCN(CCN1CCCN)CC(=O)O)CCCN)CC(=O)O","WWXSZLHRQUYCHA-UHFFFAOYSA-N",393882,NA,"PDBC17699","696843","Present",NA,NA
+"17700","2-[4,10-Bis[2-(4-benzyloxycarbonylpiperazin-1-yl)-2-oxo-ethyl]-7-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[7-(Carboxymethyl)-4,10-bis[2-oxo-2-(4-phenylmethoxycarbonylpiperazin-1-yl)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid",NA,"C1CN(CCN(CCN(CCN1CC(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)O)CC(=O)N4CCN(CC4)C(=O)OCC5=CC=CC=C5)CC(=O)O","WMENSNNJIDJSEH-UHFFFAOYSA-N",393892,NA,"PDBC17700","696852","Present",NA,NA
+"17701","2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4,5-Dihydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methylo",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)C)OC1","HDXIQHTUNGFJIC-KCNAIUQRSA-N",399999,NA,"PDBC17701","711181","Present",NA,NA
+"17702","2-[4,5-Dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4,5-Dimethyl-1-(4-methylanilino)imidazol-2-yl]sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide",NA,"CC1=CC=C(C=C1)NN2C(=C(N=C2SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4)C)C","ZTQGSYDRVVTJAI-UHFFFAOYSA-N",54613544,NA,"PDBC17702","751269","Present",NA,NA
+"17703","2-[4,6-Bis(4-chlorophenyl)-3-cyano-6-methyl-1H-pyridin-2-yl]propanedinitrile;N-methylmethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4,6-Bis(4-chlorophenyl)-3-cyano-6-methyl-1H-pyridin-2-yl]propanedinitrile;N-methylmethanamine",NA,"CC1(C=C(C(=C(N1)C(C#N)C#N)C#N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.CNC","HRUZMRYJMRGNHI-UHFFFAOYSA-N",400103,NA,"PDBC17703","711595","Present",NA,NA
+"17704","2-[4,7,10-Tris(cyanomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4,7,10-Tris(cyanomethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetonitrile",NA,"C1CN(CCN(CCN(CCN1CC#N)CC#N)CC#N)CC#N","GCADYWACTRNALY-UHFFFAOYSA-N",384585,NA,"PDBC17704","674598","Present",NA,NA
+"17705","2-[4,7-Bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,4,7-Triazonine-1,4,7-triacetic acid, octahydro-",NA,"C1CN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O","JHALWMSZGCVVEM-UHFFFAOYSA-N",124326,NA,"PDBC17705","696860","Present",NA,NA
+"17706","2-[4,7-Dimethoxy-2-(methoxymethyl)-1-methylbenzimidazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4,7-Dimethoxy-2-(methoxymethyl)-1-methylbenzimidazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine",NA,"CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4OC)N=C(N5C)COC)OC","YMXYFXPXRJPITD-UHFFFAOYSA-N",6712703,NA,"PDBC17706","706841","Present",NA,NA
+"17707","2-[4,8,11-Tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4,8,11-Tris(cyanomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetonitrile",NA,"C1CN(CCN(CCCN(CCN(C1)CC#N)CC#N)CC#N)CC#N","SQXSRHSWQHQBQK-UHFFFAOYSA-N",384586,NA,"PDBC17707","674599","Present",NA,NA
+"17708","2-[4-(1,3-Dioxoisoindol-2-yl)-2-hydroxy-3-oxo-butyl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(1,3-Dioxoisoindol-2-yl)-2-hydroxy-3-oxo-butyl]isoindole-1,3-dione",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CC(C(=O)CN3C(=O)C4=CC=CC=C4C3=O)O","ZJZYQKKDHFXIAM-UHFFFAOYSA-N",336575,NA,"PDBC17708","351351","Present",NA,NA
+"17709","2-[4-(1,3-Thiazol-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(1,3-Benzothiazol-2-yl)phenyl]-1,3-thiazol-4(5H)-one",NA,"C1C(=O)N=C(S1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4S3","SZPBKBSUZUCSSV-UHFFFAOYSA-N",24203819,NA,"PDBC17709","729677","Present",NA,NA
+"17710","2-[4-(1H-Benzo[d]imidazol-2-yl)phenyl]thiazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(1H-benzo[d]imidazol-2-yl)phenyl]thiazol-5(4H)-one",NA,"C1C(=O)N=C(S1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","JXEQHOHKQCXZSI-UHFFFAOYSA-N",24203982,NA,"PDBC17710","730303","Present",NA,NA
+"17711","2-[4-(1H-Indol-2-yl)phenoxy]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(1H-indol-2-yl) phenoxy)-N-(4-(N-(5-methylisoxazol-...",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC3=CC=C(C=C3)C4=CC5=CC=CC=C5N4","ZVLGSEPQHFCSCX-UHFFFAOYSA-N",56971246,NA,"PDBC17711","761939","Present",NA,NA
+"17712","2-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy]ethyl carbamimidothioate;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(2,4,4-Trimethylpentan-2-yl)phenoxy]ethyl carbamimidothioate;hydrobromide",NA,"CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCSC(=N)N.Br","HWCDAMGEQWVXFI-UHFFFAOYSA-N",54603487,NA,"PDBC17712","4482","Present",NA,NA
+"17713","2-[4-(2,4-Dioxopyrimidin-1-yl)butoxycarbonylamino]-5-ureido-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(2,4-Dioxopyrimidin-1-yl)butoxycarbonylamino]-5-ureido-pentanoic acid",NA,"C1=CN(C(=O)NC1=O)CCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","ZLTXAHQEDWHLQN-UHFFFAOYSA-N",391687,NA,"PDBC17713","691229","Present",NA,NA
+"17714","2-[4-(2-Aminophenyl)buta-1,3-diynyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(2-Aminophenyl)buta-1,3-diynyl]aniline",NA,"C1=CC=C(C(=C1)C#CC#CC2=CC=CC=C2N)N","ZGADPHGEVFIWAD-UHFFFAOYSA-N",2749742,NA,"PDBC17714","729466","Present",NA,NA
+"17715","2-[4-(2-Chloro-6-nitrophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(2-Chloro-6-nitrophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"C1=CC(=C(C(=C1)Cl)OC2=CC=C(C=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO)[N+](=O)[O-]","XXEWYKRGVJSEOT-UHFFFAOYSA-N",9572199,NA,"PDBC17715","707042","Present",NA,NA
+"17716","2-[4-(2-Chlorophenyl)piperazin-1-yl]-N-(1, 6-dihydro-4H-cyclopenta[c]thien-4-yl)acetamide dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(2-Chlorophenyl)piperazin-1-yl]-N-(1,3-dibromo-6-ox...",NA,"C1CN(CCN1CC2=CC=CC=C2Cl)CC(=O)NC3CC(=O)C4=C(SC(=C34)Br)Br.Cl","YSKFPFSYSBYTML-UHFFFAOYSA-N",11628604,NA,"PDBC17716","737071","Present",NA,NA
+"17717","2-[4-(2-Diethylaminoethyloxy)phenyl]-5-nitro-benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(2-N,N-Diethylaminoethoxy)phenyl]-3-nitro-1,8-napht...",NA,"CCN(CC)CCOC1=CC=C(C=C1)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]","AOVDCRLGQWABSP-UHFFFAOYSA-N",386720,NA,"PDBC17717","679263","Present",NA,NA
+"17718","2-[4-(2-Methylpropyl)phenyl]-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]propan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(2-Methylpropyl)phenyl]-1-[4-[(E)-2-phenylethenyl]piperazin-1-yl]propan-1-one;hydrochloride",NA,"CC(C)CC1=CC=C(C=C1)C(C)C(=O)N2CCN(CC2)C=CC3=CC=CC=C3.Cl","UWAGMJQYTRAYNJ-IERUDJENSA-N",6516123,NA,"PDBC17718","626887","Present",NA,NA
+"17719","2-[4-(2-Phenyldiazenylhydrazinyl)phenyl]-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(2-Phenyldiazenylhydrazinyl)phenyl]-1H-benzimidazole",NA,"C1=CC=C(C=C1)N=NNNC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","BOKHXJODVGTZFE-UHFFFAOYSA-N",6712817,NA,"PDBC17719","715750","Present",NA,NA
+"17720","2-[4-(2-Piperidin-1-ylethoxy)phenyl]-3H-isoindol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[2-(Piperidin-1-yl)ethoxy]phenyl}-2,3-dihydro-1H-isoindol-1-one",NA,"C1CCN(CC1)CCOC2=CC=C(C=C2)N3CC4=CC=CC=C4C3=O","IZEPCBIRNCXTJM-UHFFFAOYSA-N",379542,NA,"PDBC17720","664218","Present",NA,NA
+"17721","2-[4-(3,3-Dimethyl-4-oxo-chroman-2-yl)piperazin-1-yl]-3,3-dimethyl-chroman-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(3,3-Dimethyl-4-oxo-chroman-2-yl)piperazin-1-yl]-3,3-dimethyl-chroman-4-one",NA,"CC1(C(OC2=CC=CC=C2C1=O)N3CCN(CC3)C4C(C(=O)C5=CC=CC=C5O4)(C)C)C","VGPSSCZRBLRGAG-UHFFFAOYSA-N",378277,NA,"PDBC17721","660233","Present",NA,NA
+"17722","2-[4-(3,3-Diphenyl-2-benzothiophen-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-3,5-diphenyl-3,4-dihydropyrazol-2-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(3,3-Diphenyl-2-benzothiophen-1-ylidene)cyclohexa-2,5-dien-1-ylidene]-3,5-diphenyl-3,4-dihydropyrazol-2-ium;perchlorate",NA,"C1C([N+](=C2C=CC(=C3C4=CC=CC=C4C(S3)(C5=CC=CC=C5)C6=CC=CC=C6)C=C2)N=C1C7=CC=CC=C7)C8=CC=CC=C8.[O-]Cl(=O)(=O)=O","KILCNALRVSZJAX-UHFFFAOYSA-M",24202444,NA,"PDBC17722","658177","Present",NA,NA
+"17723","2-[4-(3,4-Dimethoxyphenyl)phenyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(3,4-Dimethoxyphenyl)phenyl]acetic acid",NA,"COC1=C(C=C(C=C1)C2=CC=C(C=C2)CC(=O)O)OC","PIQKLJNBCIDWGY-UHFFFAOYSA-N",366012,NA,"PDBC17723","634185","Present",NA,NA
+"17724","2-[4-(3-Chloro-2-cyanophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-(propan-2-ylideneamino)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(3-Chloro-2-cyanophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-(propan-2-ylideneamino)guanidine",NA,"CC(=NNC(=NS(=O)(=O)C1=CC=C(C=C1)OC2=C(C(=CC=C2)Cl)C#N)NC3=CC=C(C=C3)Cl)C","HMHLISKKNZKSRJ-UHFFFAOYSA-N",9572186,NA,"PDBC17724","706454","Present",NA,NA
+"17725","2-[4-(3-Chloro-2-cyanophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(3-Chloro-2-cyanophenoxy)phenyl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"C1=CC(=C(C(=C1)Cl)C#N)OC2=CC=C(C=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","YNFOQKJXTTXGDW-UHFFFAOYSA-N",9572198,NA,"PDBC17725","707041","Present",NA,NA
+"17726","2-[4-(3-Chlorophenyl)-1-piperazinyl]-1,3-thiazol-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(3-Chloro-phenyl)-piperazin-1-yl]-thiazol-4-one",NA,"C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC(=O)CS3","TVXJRBKAPWAUED-UHFFFAOYSA-N",16044012,NA,"PDBC17726","735176","Present",NA,NA
+"17727","2-[4-(3-Ethyl-2,6-dioxo-3-piperidyl)phenyl]-5-nitro-benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Ethyl-2,6-piperidinedione)phenyl]-3-nitro-1,8-napht...",NA,"CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]","ZYEWDZIBJWUOAY-UHFFFAOYSA-N",386723,NA,"PDBC17727","679266","Present",NA,NA
+"17728","2-[4-(3-Ethyl-2,6-dioxopiperidin-3-yl)phenyl]-5,6-dimethoxyisoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(3-Ethyl-2,6-dioxopiperidin-3-yl)phenyl]-5,6-dimethoxy-1H-isoindole-1,3(2H)-dione",NA,"CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N3C(=O)C4=CC(=C(C=C4C3=O)OC)OC","IJZDYZZLCBGYIV-UHFFFAOYSA-N",379355,NA,"PDBC17728","663901","Present",NA,NA
+"17729","2-[4-(3-Ethyl-2,6-dioxopiperidin-3-yl)phenyl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(3-Ethyl-2,6-dioxopiperidin-3-yl)phenyl]-1H-isoindole-1,3(2H)-dione",NA,"CCC1(CCC(=O)NC1=O)C2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O","JFDWFMLZMRVNIZ-UHFFFAOYSA-N",379356,NA,"PDBC17729","663902","Present",NA,NA
+"17730","2-[4-(3-Oxobenzo[f]chromen-2-yl)thiazol-2-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(3-Oxobenzo[f]chromen-2-yl)thiazol-2-yl]acetonitrile",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CSC(=N4)CC#N","DXBYMNAELHZSJX-UHFFFAOYSA-N",389227,NA,"PDBC17730","684980","Present",NA,NA
+"17731","2-[4-(3-Thiophen-2-ylquinoxalin-2-yl)oxyphenyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{4-[(3-Thiophen-2-ylquinoxalin-2-yl)oxy]phenyl}acetic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)CC(=O)O)C4=CC=CS4","XASQJAGGYCISIA-UHFFFAOYSA-N",401474,NA,"PDBC17731","715132","Present",NA,NA
+"17732","2-[4-(4,7-Dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)phenyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(4,7-Dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)phenyl]acetic acid",NA,"C1=CC(=CC=C1CC(=O)O)N2C3=C(C(=O)NNC3=O)N=N2","ZUDGBFUHSIHDKS-UHFFFAOYSA-N",135463275,NA,"PDBC17732","679062","Present",NA,NA
+"17733","2-[4-(4,7-Dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)phenyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(4,7-Dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)phenyl]propanoic acid",NA,"CC(C1=CC=C(C=C1)N2C3=C(C(=O)NNC3=O)N=N2)C(=O)O","JMYWCIDVJQKLDI-UHFFFAOYSA-N",135415740,NA,"PDBC17733","679064","Present",NA,NA
+"17734","2-[4-(4-Carbamoyl-1,3-thiazol-2-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(4-Carbamoyl-1,3-thiazol-2-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]ethylphosphonic acid",NA,"CC1(OC2C(OC(C2O1)C3=NC(=CS3)C(=O)N)CCP(=O)(O)O)C","SOEARYYVKAIDJY-UHFFFAOYSA-N",338210,NA,"PDBC17734","359659","Present",NA,NA
+"17735","2-[4-(4-Hydroxy-3,3-dimethyl-chroman-2-yl)piperazin-1-yl]-3,3-dimethyl-chroman-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(4-Hydroxy-3,3-dimethyl-chroman-2-yl)piperazin-1-yl]-3,3-dimethyl-chroman-4-ol",NA,"CC1(C(C2=CC=CC=C2OC1N3CCN(CC3)C4C(C(C5=CC=CC=C5O4)O)(C)C)O)C","ZSJUBUVTEVETSJ-UHFFFAOYSA-N",378276,NA,"PDBC17735","660232","Present",NA,NA
+"17736","2-[4-(4-Hydroxy-7-nitro-quinazolin-2-yl)phenyl]-7-nitro-quinazolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinazolinol, 2,2'-(1,4-phenylene)bis[7-nitro-",NA,"C1=CC(=CC=C1C2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2)C4=NC5=C(C=CC(=C5)[N+](=O)[O-])C(=O)N4","PQZIJTSPWAEBHJ-UHFFFAOYSA-N",135444540,NA,"PDBC17736","633493","Present",NA,NA
+"17737","2-[4-(4-Naphthalen-2-ylpyrimidin-2-yl)piperazin-1-yl]ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(4-(naphthalen-2-yl)pyrimidin-2-yl)piperazin-1-yl)e...",NA,"C1CN(CCN1CCN)C2=NC=CC(=N2)C3=CC4=CC=CC=C4C=C3","KDJLRDILZFGAGY-UHFFFAOYSA-N",25216468,NA,"PDBC17737","800391","Present",NA,NA
+"17738","2-[4-(4-Oxochromen-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(4-Oxochromen-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one",NA,"C1CN(CCN1C2=CC(=O)N3C=CC=CC3=N2)C4=CC(=O)C5=CC=CC=C5O4","FSBZDDLUXFKIGG-UHFFFAOYSA-N",387313,NA,"PDBC17738","681026","Present",NA,NA
+"17739","2-[4-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)butoxycarbonylamino]-5-ureido-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)butoxycarbonylamino]-5-ureido-pentanoic acid",NA,"CC1=CN(C(=O)NC1=O)CCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","PAERVKSUFFNGJW-UHFFFAOYSA-N",391691,NA,"PDBC17739","691233","Present",NA,NA
+"17740","2-[4-(5-Oxo-3-phenyl-4H-pyrazol-1-yl)phenyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(5-Oxo-3-phenyl-4H-pyrazol-1-yl)phenyl]acetic acid",NA,"C1C(=NN(C1=O)C2=CC=C(C=C2)CC(=O)O)C3=CC=CC=C3","WARDKRJMUSXGNI-UHFFFAOYSA-N",353211,NA,"PDBC17740","600761","Present",NA,NA
+"17741","2-[4-(6-Hexyl-7-hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(6-Hexyl-7-hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)CC#N)O","RSSBBYHZNXTGIN-UHFFFAOYSA-N",5466312,NA,"PDBC17741","684981","Present",NA,NA
+"17742","2-[4-(7-Chloroquinolin-4-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{2-[4-(7-chloro-quinolin-4-yl)-piperazin-1-yl]-pyrimidin...",NA,"COC1=CC=C(C=C1)NC2=NC(=NC=C2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl","DHRUHFKMGQMOEI-UHFFFAOYSA-N",117827306,NA,"PDBC17742","771769","Present",NA,NA
+"17743","2-[4-(7-Chloroquinoxalin-2-yl)oxyphenoxy]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697887///XK-469S",NA,"CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl","NUQZXROIVGBRGR-UHFFFAOYSA-N",148183,NA,"PDBC17743","697887///698216","Present",NA,NA
+"17744","2-[4-(7-Hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(7-Hydroxy-2-oxo-chromen-3-yl)thiazol-2-yl]acetonitrile",NA,"C1=CC2=C(C=C1O)OC(=O)C(=C2)C3=CSC(=N3)CC#N","IHGHQLNYOLXWNA-UHFFFAOYSA-N",5466311,NA,"PDBC17744","684979","Present",NA,NA
+"17745","2-[4-(9-Fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(9-Fluoro-3-nitro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol",NA,"C1CN(CCN1CCO)C2CC3=C(C=C(C=C3)F)SC4=C2C=C(C=C4)[N+](=O)[O-]","SYZQQZSBHCAWAX-UHFFFAOYSA-N",354028,NA,"PDBC17745","603976","Present",NA,NA
+"17746","2-[4-(Carboxymethyl)-1,4,7,10-tetrazabicyclo[5.5.5]heptadecan-10-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(Carboxymethyl)-1,4,7,10-tetrazabicyclo[5.5.5]heptadecan-10-yl]acetic acid",NA,"C1CCN2CCN(CCN(CC1)CCN(CC2)CC(=O)O)CC(=O)O","UPJIPCWEISIMQC-UHFFFAOYSA-N",393887,NA,"PDBC17746","696847","Present",NA,NA
+"17747","2-[4-(Carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,4,7-Triazonine-1,4-diacetic acid, octahydro-",NA,"C1CN(CCN(CCN1)CC(=O)O)CC(=O)O","WBRUPBYQJCBBBL-UHFFFAOYSA-N",393901,NA,"PDBC17747","696862","Present",NA,NA
+"17748","2-[4-(Chloromethyl)phenyl]-1,3-dioxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A818317",NA,"C1COC(O1)C2=CC=C(C=C2)CCl","OSJJDHULSJSNFE-UHFFFAOYSA-N",357878,NA,"PDBC17748","617412","Present",NA,NA
+"17749","2-[4-(Diethylamino)anilino]-1,2-diphenylethanone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC3628",NA,"CCN(CC)C1=CC=C(C=C1)NC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Cl","AXWZXWBCRCIVNG-UHFFFAOYSA-N",24185366,NA,"PDBC17749","3628","Present",NA,NA
+"17750","2-[4-(Diethylamino)benzylidene]-7-nitro-3,4-dihydro-1(2H)-naphthalenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1(2H)-Naphthalenone, 2-[[4-(diethylamino)phenyl]methylen...",NA,"CCN(CC)C1=CC=C(C=C1)C=C2CCC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]","CWMQDTJZFNUOEC-GHRIWEEISA-N",1008484,NA,"PDBC17750","665351","Present",NA,NA
+"17751","2-[4-(Dimethylamino)phenyl]-3-[2-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(Dimethylamino)phenyl]-3-[2-[2-[4-(dimethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-1,3-thiazolidin-4-one",NA,"CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=C(C=C7)N(C)C","AEFVIBMEMPNIPL-UHFFFAOYSA-N",398512,NA,"PDBC17751","708423","Present",NA,NA
+"17752","2-[4-(Dimethylamino)phenyl]quinolin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(Dimethylamino)phenyl]quinolin-4(1h)-one",NA,"CN(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3N2","JCICERHEBLRBAF-UHFFFAOYSA-N",375358,NA,"PDBC17752","654982","Present",NA,NA
+"17753","2-[4-(Fluoro)anilino]-3-phenyl-5,7-diaminoquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(fluoro)anilino]-3-phenyl-5,7-diaminoquinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NC4=CC=C(C=C4)F)N)N","NIUYHJHZOHMWPP-UHFFFAOYSA-N",24204260,NA,"PDBC17753","731130","Present",NA,NA
+"17754","2-[4-(Fluoro)benzylamino]-3-phenyl-5,7-diaminoquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(fluoro)benzylamino]-3-phenyl-5,7-diaminoquinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NCC4=CC=C(C=C4)F)N)N","ZTKRLJYHHPMLPZ-UHFFFAOYSA-N",24204261,NA,"PDBC17754","731131","Present",NA,NA
+"17755","2-[4-(Fluoro)phenylthio]-3-phenyl-5,7-diamino quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(fluoro)phenylthio]-3-phenyl-5,7-diamino quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2SC4=CC=C(C=C4)F)N)N","PIMCSCGGODKORC-UHFFFAOYSA-N",24204257,NA,"PDBC17755","731127","Present",NA,NA
+"17756","2-[4-(Methoxy)anilino]-3-phenyl-5,7-diammino quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(methoxy)anilino]-3-phenyl-5,7-diammino quinoxaline",NA,"COC1=CC=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","AAFHHXQPWZUDFK-UHFFFAOYSA-N",405137,NA,"PDBC17756","722174","Present",NA,NA
+"17757","2-[4-(Methoxy)anilino]-6,8-diamino quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(methoxy)anilino]-6,8-diamino quinoxaline",NA,"COC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3N=C2)N)N","NNPSCCQILJDCPL-UHFFFAOYSA-N",24203446,NA,"PDBC17757","728039","Present",NA,NA
+"17758","2-[4-(Methoxy)phenoxy]-3-phenyl-5,7-diamminoquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(methoxy)phenoxy]-3-phenyl-5,7-diamminoquinoxaline",NA,"COC1=CC=C(C=C1)OC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","LZKMWNMQYDZUOZ-UHFFFAOYSA-N",404586,NA,"PDBC17758","720935","Present",NA,NA
+"17759","2-[4-(Methoxy)phenyltio]-3-phenyl-5,7-diamino quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(methoxy)phenyltio]-3-phenyl-5,7-diamino quinoxaline",NA,"COC1=CC=C(C=C1)SC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","YAMJDKJAVOJLBD-UHFFFAOYSA-N",24203447,NA,"PDBC17759","728040","Present",NA,NA
+"17760","2-[4-(Phosphonomethyl)-1,4,7-triazonan-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,4,7-Triazonine-1-acetic acid, 4-[(dihydroxyphosphor...",NA,"C1CN(CCN(CCN1)CP(=O)(O)O)CC(=O)O","NUYHUEQNAUHXQL-UHFFFAOYSA-N",393906,NA,"PDBC17760","696867","Present",NA,NA
+"17761","2-[4-(p-Chlorobenzylidenamino)]phenyl benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(p-chlorobenzylidenamino)]phenyl benzimidazole",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=CC4=CC=C(C=C4)Cl","JJMHJKDRFJIONP-UHFFFAOYSA-N",405570,NA,"PDBC17761","722938","Present",NA,NA
+"17762","2-[4-Amino-5-[8-[4-amino-5-(2-hydroxy-6-methyl-phenyl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]-3-methyl-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Amino-5-[8-[4-amino-5-(2-hydroxy-6-methylphenyl)-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]-3-methylphenol",NA,"CC1=C(C(=CC=C1)O)C2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)C4=C(C=CC=C4O)C","GBJZBRLWYWTCOH-UHFFFAOYSA-N",382825,NA,"PDBC17762","670561","Present",NA,NA
+"17763","2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-oxopropanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-3-(8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazin-7-yl)-3-oxopropanenitrile",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(C#N)C(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O","WDMGOZATLXAKQR-UHFFFAOYSA-N",397033,NA,"PDBC17763","704315","Present",NA,NA
+"17764","2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]acetonitrile",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CC#N","DKIGVDDXYMFRIQ-UHFFFAOYSA-N",393948,NA,"PDBC17764","696920","Present",NA,NA
+"17765","2-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1h-pyrazol-1-yl)-1,3,5-triazin-2-yl]benzenesulfonamide",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C3=CC=CC=C3S(=O)(=O)N","MKKRGJFDYSAQCQ-UHFFFAOYSA-N",400693,NA,"PDBC17765","713048","Present",NA,NA
+"17766","2-[4-Amino-6-(5-ethyl-4-methyl-4,3,5-triazin-2-yl]-2-{[4-dimethylamino)phenyl]imino}acetoni trile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-amino-6-(5-ethyl-4-methyl-4,5-dihydro-1H-pyrazol-1-...",NA,"CCC1C(C=NN1C2=NC(=NC(=N2)N)C(=NC3=CC=C(C=C3)N(C)C)C#N)C","FUVLRLMIEPJXAP-UHFFFAOYSA-N",11610533,NA,"PDBC17766","729115","Present",NA,NA
+"17767","2-[4-Anilino-3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]anilino]-3-chloronaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Anilino-3-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]anilino]-3-chloronaphthalene-1,4-dione",NA,"C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","JWSHRKNXFSJWEV-UHFFFAOYSA-N",413256,NA,"PDBC17767","45739","Present",NA,NA
+"17768","2-[4-Chloro(phenylsulfonyl)anilino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_013626",NA,"C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)Cl","DINSNNGAGBNQJM-UHFFFAOYSA-N",362737,NA,"PDBC17768","626992","Present",NA,NA
+"17769","2-[4-Chloro-5-(4-chlorophenylcarbamoyl)-2-mercaptobenzenesul fonyl]-3,1-dioxo-2H-1,2,4,6-thiatriazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Chloro-5-(4-chlorophenylcarbamoyl)-2-mercaptobenzen...",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3C(=O)NC(=O)NS3(=O)=O)Cl","PCUWVXIPZZKUPB-UHFFFAOYSA-N",23624974,NA,"PDBC17769","734046","Present",NA,NA
+"17770","2-[4-Chloro-5-(4-methylphenylcarbamoyl)-2-mercaptobenzenesul fonyl]-3,1-dioxo-2H-1,2,4,6-thiatriazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Chloro-5-(4-methylphenylcarbamoyl)-2-mercaptobenzen...",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)N3C(=O)NC(=O)NS3(=O)=O","HFCRRYILZFMBOQ-UHFFFAOYSA-N",23625135,NA,"PDBC17770","734045","Present",NA,NA
+"17771","2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1,2,4-triazine-3,5-dione",NA,"C1=NN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)F)O","AZHFVWNFBZUDHA-UHFFFAOYSA-N",389399,NA,"PDBC17771","685467","Present",NA,NA
+"17772","2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione",NA,"CC1=NN(C(=O)NC1=O)C2C(C(C(C(O2)CO)O)F)O","PERXHQJPMWDAFE-UHFFFAOYSA-N",389398,NA,"PDBC17772","685466","Present",NA,NA
+"17773","2-[4-Methyl-3,5-di(propan-2-yl)phenoxy]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-Methyl-3,5-di(propan-2-yl)phenoxy]ethanol",NA,"CC1=C(C=C(C=C1C(C)C)OCCO)C(C)C","HLADDIWNVFORTK-UHFFFAOYSA-N",348820,NA,"PDBC17773","408301","Present",NA,NA
+"17774","2-[4-[(2E)-2-[5-(4-Bromophenyl)dithiol-3-ylidene]-2-[[(1E)-1-[5-(4-bromophenyl)dithiol-3-ylidene]-2-[4-(carboxymethyloxy)-2,3-dichloro-phenyl]-2-oxo-ethyl]disulfanyl]acetyl]-2,3-dichloro-phenoxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(2-(5-(4-bromophenyl)-3H-1,2-dithiol-3-yl)-2-((1-(5...",NA,"C1=CC(=CC=C1C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=C(C=C5)Br)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2)Br","CFGGOWFXJVIRMZ-RIGUPBQNSA-N",3000384,NA,"PDBC17774","641281","Present",NA,NA
+"17775","2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(2-methylphenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(2-methylphenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Disulfide, bis[1-[5-(2-methylphenyl)-3H-1,2-dithiole- 3-...",NA,"CC1=CC=CC=C1C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=CC=C5C)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2","USTZDWIBEMKHEZ-NXRKLTDKSA-N",3000387,NA,"PDBC17775","641285","Present",NA,NA
+"17776","2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethyloxy)-2,3-dichloro-phenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxo-ethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(4-fluorophenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(4-fluorophenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic a",NA,"C1=CC(=CC=C1C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=C(C=C5)F)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2)F","ALWDXTSKOJXXNH-RIGUPBQNSA-N",3000383,NA,"PDBC17776","641283","Present",NA,NA
+"17777","2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethyloxy)-2,3-dichloro-phenyl]-1-[5-(m-tolyl)dithiol-3-ylidene]-2-oxo-ethyl]disulfanyl]-2-[5-(m-tolyl)dithiol-3-ylidene]acetyl]-2,3-dichloro-phenoxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(2E)-2-[[(1E)-2-[4-(Carboxymethoxy)-2,3-dichlorophenyl]-1-[5-(3-methylphenyl)dithiol-3-ylidene]-2-oxoethyl]disulfanyl]-2-[5-(3-methylphenyl)dithiol-3-ylidene]acetyl]-2,3-dichlorophenoxy]acetic a",NA,"CC1=CC(=CC=C1)C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=CC(=C5)C)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2","BVYDMAWCWJHUAI-NXRKLTDKSA-N",3000388,NA,"PDBC17777","641282","Present",NA,NA
+"17778","2-[4-[(2Z)-2-(2-Oxooxolan-3-ylidene)hydrazinyl]phenyl]sulfonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(2Z)-2-(2-Oxooxolan-3-ylidene)hydrazinyl]phenyl]sulfonylguanidine",NA,"C1COC(=O)C1=NNC2=CC=C(C=C2)S(=O)(=O)N=C(N)N","LOLNFYQUHDUQSL-DHDCSXOGSA-N",9572347,NA,"PDBC17778","712430","Present",NA,NA
+"17779","2-[4-[(4E,8E)-4,8-Dimethyl-11-thiophen-3-ylundeca-4,8-dienyl]piperazin-1-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(-4,8-dimethyl-11-(thiophen-3-yl)undeca-4,8-dien-1-...",NA,"CC(=CCCC(=CCCC1=CSC=C1)C)CCCN2CCN(CC2)CCO","CRGLEXRRLZVEGL-JEPCQTPVSA-N",155808397,NA,"PDBC17779","773160","Present",NA,NA
+"17780","2-[4-[(9E)-7-(4,4-Dimethylcyclohexyl)sulfonyl-9-hydroxyiminofluoren-2-yl]sulfonylpiperazin-1-yl]-5-fluorophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E/Z)-2-((4,4-dimethylcyclohexyl)sulfonyl)-7-((4-(4-fluo...",NA,"CC1(CCC(CC1)S(=O)(=O)C2=CC3=C(C=C2)C4=C(C3=NO)C=C(C=C4)S(=O)(=O)N5CCN(CC5)C6=C(C=C(C=C6)F)O)C","CVBRQWNGZNXYHR-KKYHWDRJSA-N",145284742,NA,"PDBC17780","789645","Present",NA,NA
+"17781","2-[4-[(E)-(4-Oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(E)-(4-Oxochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,"C1C(=CC2=CC=C(C=C2)OCC(=O)NC3=NC=CS3)C(=O)C4=CC=CC=C4O1","LEOKKXPXZWEDBA-RVDMUPIBSA-N",45028758,NA,"PDBC17781","744063","Present",NA,NA
+"17782","2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethanamine",NA,"C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=C(C=C3)OCCN","OVBAZEUSCRGDKY-QURGRASLSA-N",5466857,NA,"PDBC17782","644617","Present",NA,NA
+"17783","2-[4-[(E)-3-Oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(E)-3-Oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]acetonitrile",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CC=C(C=C2)OCC#N","QJDQGDGYXMOBSA-RMKNXTFCSA-N",5467696,NA,"PDBC17783","657879","Present",NA,NA
+"17784","2-[4-[(E)-[4-(2-Benzyl-5-methyl-thiazol-4-yl)phenyl]iminomethyl]-3-methyl-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2,2'-[[3-methyl-4-[[[4-[5-methyl-2-(phenylmethy...",NA,"CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=C(SC(=N3)CC4=CC=CC=C4)C","PCMRUMCRHVAFDB-UHFFFAOYSA-N",322935,NA,"PDBC17784","281617","Present",NA,NA
+"17785","2-[4-[(Z)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(Z)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NC4=NC=CS4)O2","HVKINGHGICBSIM-BOPFTXTBSA-N",45028623,NA,"PDBC17785","743504","Present",NA,NA
+"17786","2-[4-[(Z)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(Z)-(3-Oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)acetamide",NA,"C1CCC2=C(C1)N=C(S2)NC(=O)COC3=CC=C(C=C3)C=C4C(=O)C5=CC=CC=C5O4","YZIISIIPDQNDLO-MOSHPQCFSA-N",45028626,NA,"PDBC17786","743507","Present",NA,NA
+"17787","2-[4-[(Z)-(4-Oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(Z)-(4-Oxothiochromen-3-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,"C1C(=CC2=CC=C(C=C2)OCC(=O)NC3=NC=CS3)C(=O)C4=CC=CC=C4S1","GSODYGVZSYBGDW-RVDMUPIBSA-N",45028765,NA,"PDBC17787","744070","Present",NA,NA
+"17788","2-[4-[(Z)-(5-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(Z)-(5-Methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]-N-(1,3-thiazol-2-yl)acetamide",NA,"COC1=CC2=C(C=C1)OC(=CC3=CC=C(C=C3)OCC(=O)NC4=NC=CS4)C2=O","KRKKKJWBZCKTLR-ZDLGFXPLSA-N",45028683,NA,"PDBC17788","743695","Present",NA,NA
+"17789","2-[4-[(Z)-4-[4-[2-(Diethylamino)ethoxy]phenyl]hex-3-en-3-yl]phenoxy]-N,N-diethylethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[(Z)-4-[4-[2-(Diethylamino)ethoxy]phenyl]hex-3-en-3-yl]phenoxy]-N,N-diethylethanamine;hydrochloride",NA,"CCC(=C(CC)C1=CC=C(C=C1)OCCN(CC)CC)C2=CC=C(C=C2)OCCN(CC)CC.Cl","YYWVFGRKVNPMIQ-DHKWPOFJSA-N",54605975,NA,"PDBC17789","78325","Present",NA,NA
+"17790","2-[4-[1-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[1-chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCOS(=O)(=O)C)Cl)C","KCRALIOHJGSGMW-UHFFFAOYSA-N",370680,NA,"PDBC17790","644056","Present",NA,NA
+"17791","2-[4-[2-(1,3-Dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]-N-(2-methyl-1,3-benzothiazol-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(2-methyl-1,3-benzothiazol-5-yl)-2-(4-(2-(1,3-dioxo-2...",NA,"CC1=NC2=C(S1)C=CC(=C2)NC(=O)CN3CCN(CC3)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","XKPMKFPTWBDYSC-UHFFFAOYSA-N",155810069,NA,"PDBC17791","761421","Present",NA,NA
+"17792","2-[4-[2-(Diethylamino)ethoxy]phenyl]-3H-isoindol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[2-(Diethylamino)ethoxy]phenyl}-2,3-dihydro-1H-isoindol-1-one",NA,"CCN(CC)CCOC1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O","FOWLVLBCUKWFSZ-UHFFFAOYSA-N",379543,NA,"PDBC17792","664219","Present",NA,NA
+"17793","2-[4-[2-(Diethylamino)ethoxy]phenyl]-5,6-dimethoxy-3H-isoindol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[2-(Diethylamino)ethoxy]phenyl}-5,6-dimethoxy-2,3-dihydro-1H-isoindol-1-one",NA,"CCN(CC)CCOC1=CC=C(C=C1)N2CC3=CC(=C(C=C3C2=O)OC)OC","XNYGJNRMGZPDPC-UHFFFAOYSA-N",379545,NA,"PDBC17793","664221","Present",NA,NA
+"17794","2-[4-[2-(Diethylamino)ethoxy]phenyl]-5,6-dimethoxyisoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[2-(Diethylamino)ethoxy]phenyl}-5,6-dimethoxy-1H-isoindole-1,3(2H)-dione",NA,"CCN(CC)CCOC1=CC=C(C=C1)N2C(=O)C3=CC(=C(C=C3C2=O)OC)OC","HHPFCROYRZYMFD-UHFFFAOYSA-N",379547,NA,"PDBC17794","664223","Present",NA,NA
+"17795","2-[4-[2-(Hydroxyamino)-2-oxo-ethyl]cuban-1-yl]ethanehydroxamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[2-(Hydroxyamino)-2-oxo-ethyl]cuban-1-yl]ethanehydroxamic acid",NA,"C(C(=O)NO)C12C3C4C1C5C2C3C45CC(=O)NO","ZNRDYIDCRYPVEN-UHFFFAOYSA-N",373487,NA,"PDBC17795","649894","Present",NA,NA
+"17796","2-[4-[2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenoxy]-N,N-dimethylethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenoxy]-N,N-dimethylethanamine;hydrochloride",NA,"CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OCCN(C)C.Cl","KWEWXVOGZOTSOM-UHFFFAOYSA-N",370877,NA,"PDBC17796","644613","Present",NA,NA
+"17797","2-[4-[3-(1,3-Dioxoisoindol-2-yl)propoxyamino]butyl]isoindole-1,3-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[3-(1,3-Dioxoisoindolin-2-yl)propoxyamino]butyl]isoindoline-1,3-dione hydrochloride",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCNOCCCN3C(=O)C4=CC=CC=C4C3=O.Cl","NXAACGALHDNFHC-UHFFFAOYSA-N",396604,NA,"PDBC17797","703112","Present",NA,NA
+"17798","2-[4-[3-(4-Methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-5-methyl-2-phenyl-pyrazol-3-yl]-5-methyl-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[3-(4-Methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]-5-methyl-2-phenylpyrazol-3-yl]-5-methylphenol",NA,"CC1=CC(=C(C=C1)C2=C(C(=NN2C3=CC=CC=C3)C)C4=NN(C(C4)C5=CC=C(C=C5)OC)C6=CC=CC=C6)O","CBMCEBBIEASKKH-UHFFFAOYSA-N",390886,NA,"PDBC17798","688997","Present",NA,NA
+"17799","2-[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]ethyl-trimethylazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenoxy]ethyl-trimethylazanium",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)C(CC2=CC=C(C=C2)OCC[N+](C)(C)C)NC(=O)OC(C)(C)C","ZLDPJFBIUFFIKL-UHFFFAOYSA-O",6712835,NA,"PDBC17799","716688","Present",NA,NA
+"17800","2-[4-[4-(Diaminomethylideneamino)phenyl]phenyl]guanidine;sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Biphenyl-4,4'-diyldiguanidine sulfate(1:1)",NA,"C1=CC(=CC=C1C2=CC=C(C=C2)N=C(N)N)N=C(N)N.OS(=O)(=O)O","IYKWCEFBGQSXBK-UHFFFAOYSA-N",227281,NA,"PDBC17800","18758","Present",NA,NA
+"17801","2-[4-[4-[4-(1H-Benzimidazol-2-yl)anilino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-{4-[4-(1H-Benzoimidazol-2-yl)-phenylamino]-1H-pyraz...",NA,"C1CN(CCN1CCO)C2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","IFBCRQXCMUYDPN-UHFFFAOYSA-N",155812293,NA,"PDBC17801","788162","Present",NA,NA
+"17802","2-[4-[5-(4-Bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-(4-chlorophenyl)pyrimidin-2-yl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[5-(4-Bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-(4-chlorophenyl)pyrimidin-2-yl]isoindole-1,3-dione",NA,"C1C(N(N=C1C2=CC=C(C=C2)Br)C3=NC(=NC(=C3)C4=CC=C(C=C4)Cl)N5C(=O)C6=CC=CC=C6C5=O)C7=CC=CC=C7","DXFCIEQQZXYMCG-UHFFFAOYSA-N",403760,NA,"PDBC17802","719179","Present",NA,NA
+"17803","2-[4-[5-(5-Methyl-2-thienyl)pentoxy]phenyl]-4,5-dihydrooxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[5-(5-Methyl-2-thienyl)pentoxy]phenyl]-4,5-dihydrooxazole",NA,"CC1=CC=C(S1)CCCCCOC2=CC=C(C=C2)C3=NCCO3","GNOSMNWVRJWWKC-UHFFFAOYSA-N",388877,NA,"PDBC17803","684105","Present",NA,NA
+"17804","2-[4-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxo-1H-pyrimidin-3-yl]phenyl]ethyl N-[6-[2-[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]phenyl]ethoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxo-1H-pyrimidin-3-yl]phenyl]ethyl N-[6-[2-[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]phenyl]ethoxycarbonylamino]hexyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CNC(=O)N(C1=O)C2=CC=C(C=C2)CCOC(=O)NCCCCCCNC(=O)OCCC3=CC=C(C=C3)N4C=C(C(=O)NC4=O)C(=O)NC(=O)OCC","KUADTTNKPAYYML-UHFFFAOYSA-N",364731,NA,"PDBC17804","631389","Present",NA,NA
+"17805","2-[4-[5-[4-(1H-Benzimidazol-2-yl)phenoxy]pentoxy]phenyl]-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-[1,5-pentanediylbis(oxy-1,4-phenylene)]bis-1H-benzi...",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)OCCCCCOC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","FVYHAXWUPTYOAP-UHFFFAOYSA-N",25010379,NA,"PDBC17805","741910","Present",NA,NA
+"17806","2-[4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl}acetamide",NA,"C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)CC(=O)N","VIBUXZUSJCKGQQ-UHFFFAOYSA-N",403200,NA,"PDBC17806","717855","Present",NA,NA
+"17807","2-[4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[7-(Benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl}ethanol",NA,"C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)CCO","LEGSSGGTYDVSBG-UHFFFAOYSA-N",403198,NA,"PDBC17807","717853","Present",NA,NA
+"17808","2-[4-[9-(4-Sulfamoylanilino)acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[9-(4-Sulfamoylanilino)acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,"CS(=O)(=O)OCCN1CCN(CC1)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N","CQIGRWNKHVGXNG-UHFFFAOYSA-N",370671,NA,"PDBC17808","644047","Present",NA,NA
+"17809","2-[4-[9-[4-(Carbamimidoylsulfamoyl)anilino]-1-chloro-acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[1-Chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,"CS(=O)(=O)OCCN1CCN(CC1)C(=O)C2=CC=C(C3=C(C4=CC=CC=C4N=C23)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N)Cl","FZVCPDPLVXNUEJ-UHFFFAOYSA-N",370679,NA,"PDBC17809","644055","Present",NA,NA
+"17810","2-[4-[9-[4-(Carbamimidoylsulfamoyl)anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[9-[4-(Carbamimidoylsulfamoyl)anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,"CS(=O)(=O)OCCN1CCN(CC1)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","ZHXGKOSHQAJFSQ-UHFFFAOYSA-N",370673,NA,"PDBC17810","644049","Present",NA,NA
+"17811","2-[4-[9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCOS(=O)(=O)C)C","BEMBRZQVNUDQQC-UHFFFAOYSA-N",370674,NA,"PDBC17811","644050","Present",NA,NA
+"17812","2-[4-[9-[4-[(5-Methylisoxazol-3-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[9-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carbonyl]piperazin-1-yl]ethyl methanesulfonate",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCOS(=O)(=O)C","YGTNOSPAAUJZRC-UHFFFAOYSA-N",370672,NA,"PDBC17812","644048","Present",NA,NA
+"17813","2-[4-[Acetoxy(acetyl)amino]phenyl]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[Acetoxy(acetyl)amino]phenyl]benzothiazole",NA,"CC(=O)N(C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)OC(=O)C","NIUPMRLCBYEXEE-UHFFFAOYSA-N",395430,NA,"PDBC17813","699968","Present",NA,NA
+"17814","2-[4-[Cyano(propylamino)methyl]phenyl]-2-(propylamino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[Cyano(propylamino)methyl]phenyl]-2-(propylamino)acetonitrile",NA,"CCCNC(C#N)C1=CC=C(C=C1)C(C#N)NCCC","IRPYMZCTDBCQBF-UHFFFAOYSA-N",387695,NA,"PDBC17814","681724","Present",NA,NA
+"17815","2-[4-[Cyano-(4-hydroxyphenyl)methyl]piperazin-1-yl]-2-(4-hydroxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzeneacetonitrile, .alpha.,.alpha.'-(1,4-piperazinediy...",NA,"C1CN(CCN1C(C#N)C2=CC=C(C=C2)O)C(C#N)C3=CC=C(C=C3)O","FBVIADFSDASDEA-UHFFFAOYSA-N",387703,NA,"PDBC17815","681732","Present",NA,NA
+"17816","2-[4-[Cyano-(phenethylamino)methyl]phenyl]-2-(phenethylamino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[Cyano-(phenethylamino)methyl]phenyl]-2-(phenethylamino)acetonitrile",NA,"C1=CC=C(C=C1)CCNC(C#N)C2=CC=C(C=C2)C(C#N)NCCC3=CC=CC=C3","DNHPLIAHQDAIEX-UHFFFAOYSA-N",387694,NA,"PDBC17816","681723","Present",NA,NA
+"17817","2-[4-[Tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]-N-methoxy-N-methylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[Tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]-N-methoxy-N-methylacetamide",NA,"CC(C)(C)[Si](C)(C)OC1C(C(OC1N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC)CC(=O)N(C)OC","NYPBSVOEXWTKPG-UHFFFAOYSA-N",45028656,NA,"PDBC17817","743564","Present",NA,NA
+"17818","2-[4-[[2-(2,4-Dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[[2-(2,4-Dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1,3-benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=NNNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","VKWKUUIYUVVQTR-UHFFFAOYSA-N",6712854,NA,"PDBC17818","716952","Present",NA,NA
+"17819","2-[4-[[2-(2,4-Dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[[2-(2,4-Dinitrophenyl)hydrazinyl]diazenyl]phenyl]-1H-benzimidazole",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NNNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","NDXHIBJFEHJULU-UHFFFAOYSA-N",6712853,NA,"PDBC17819","716951","Present",NA,NA
+"17820","2-[4-[[3-(10-Chloroanthracen-9-yl)-5-(2-methoxy-5-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[[3-(10-Chloroanthracen-9-yl)-5-(2-methoxy-5-methylphenyl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide",NA,"CC1=CC(=C(C=C1)OC)N2C(=O)C3C(N(OC3C2=O)CC4=CC=C(C=C4)CC(=O)N)C5=C6C=CC=CC6=C(C7=CC=CC=C75)Cl","SXJXYJHWTUANAW-UHFFFAOYSA-N",402784,NA,"PDBC17820","717035","Present",NA,NA
+"17821","2-[4-[[3-(10-Methylanthracen-9-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[[3-(10-Methylanthracen-9-yl)-5-naphthalen-1-yl-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide",NA,"CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C4C5C(C(=O)N(C5=O)C6=CC=CC7=CC=CC=C76)ON4CC8=CC=C(C=C8)CC(=O)N","MSCQURKGRFNAES-UHFFFAOYSA-N",402792,NA,"PDBC17821","717043","Present",NA,NA
+"17822","2-[4-[[4-(1,3-Dioxoisoindol-2-yl)phenyl]methyl]phenyl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-(4,4'-methylenebis(4,1-phenylene))diisoindoline-1,3...",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)CC4=CC=C(C=C4)N5C(=O)C6=CC=CC=C6C5=O","LFVOAXPHCGOYJJ-UHFFFAOYSA-N",261847,NA,"PDBC17822","94820","Present",NA,NA
+"17823","2-[4-[[4-(2-Benzyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-3-chloro-N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2,2'-[[3-chloro-4-[[[4-[2-(phenylmethyl)-4-thia...",NA,"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC(=C(C=C1)C=NC2=CC=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4)Cl.Cl","LDZFBZLOKUWRQT-UHFFFAOYSA-N",24194273,NA,"PDBC17823","166240","Present",NA,NA
+"17824","2-[4-[[5-(4-Methoxyphenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-[[5-(4-Methoxyphenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]methyl]phenyl]acetamide",NA,"CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C4C5C(C(=O)N(C5=O)C6=CC=C(C=C6)OC)ON4CC7=CC=C(C=C7)CC(=O)N","HCYWFEUHLIXYRJ-UHFFFAOYSA-N",402791,NA,"PDBC17824","717042","Present",NA,NA
+"17825","2-[5'-Cyanospiro[acridine-9(10H),4'-thiazolidine]-2'-ylidene]malonic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(5-cyanospiro[1,3-thiazolidine-4,9'-10H-acridine]-2-ylidene)propanedioate",NA,"CCOC(=O)C(=C1NC2(C(S1)C#N)C3=CC=CC=C3NC4=CC=CC=C24)C(=O)OCC","NIOHIHRHOAEMPX-UHFFFAOYSA-N",399777,NA,"PDBC17825","710872","Present",NA,NA
+"17826","2-[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-1,3-dioxolan-4-yl]-6-methoxy-3-nitro-2H-chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran, 6-methoxy-3-nitro-2-[2,2,2',2'-tetramet...",NA,"CC1(OCC(O1)C2C(OC(O2)(C)C)C3C(=CC4=C(O3)C=CC(=C4)OC)[N+](=O)[O-])C","XCSPWLQVNNIZQE-UHFFFAOYSA-N",358300,NA,"PDBC17826","618261","Present",NA,NA
+"17827","2-[5-(2,4-Dioxopyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(2,4-Dioxopyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid",NA,"C1=CN(C(=O)NC1=O)CCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","ICOXREHZAPMOLI-UHFFFAOYSA-N",391688,NA,"PDBC17827","691230","Present",NA,NA
+"17828","2-[5-(2-Hydroxybenzoyl)-2-(2-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]chromeno[2,3-d]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(2-Hydroxybenzoyl)-2-(2-hydroxyphenyl)-6-oxo-1H-pyridin-3-yl]chromeno[2,3-d]pyrimidin-5-one",NA,"C1=CC=C(C(=C1)C2=C(C=C(C(=O)N2)C(=O)C3=CC=CC=C3O)C4=NC=C5C(=O)C6=CC=CC=C6OC5=N4)O","DZVALTLNQFLCLH-UHFFFAOYSA-N",361917,NA,"PDBC17828","625352","Present",NA,NA
+"17829","2-[5-(2-Hydroxyphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]-5-methyl-1H-1,2,4-triazol-4-yl]-3-(1H-indol-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(4-methoxybenzylideneamino)-1,5-dihydro-5-(2-hydrox...",NA,"CC1(NN=C(N1C(CC2=CNC3=CC=CC=C32)C(=O)O)N=CC4=CC=C(C=C4)OC)C5=CC=CC=C5O","FIWFQVTXTVFHNZ-OKCVXOCRSA-N",155816904,NA,"PDBC17829","794515","Present",NA,NA
+"17830","2-[5-(2-Thiophenaldehyde-5-yy)p-phenylene]benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(2-Thiophenaldehyde-5-yy)p-phenylene]benzoxazole",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(S4)C=O","CHOSKXGIVHUCCC-UHFFFAOYSA-N",24203652,NA,"PDBC17830","729027","Present",NA,NA
+"17831","2-[5-(3-Bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(3-Bromophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)C2=NNC(C2)C3=CC(=CC=C3)Br","ADMQPIIVPXZPMU-UHFFFAOYSA-N",403646,NA,"PDBC17831","718714","Present",NA,NA
+"17832","2-[5-(3-Chloro-4-methylphenyl)-3-[3-(4-methoxyphenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(3-Chloro-4-methylphenyl)-3-[3-(4-methoxyphenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"CC1=C(C=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=CC(=CC=C5)OC6=CC=C(C=C6)OC)Cl","ZNWSSHCYORVNSX-UHFFFAOYSA-N",402788,NA,"PDBC17832","717039","Present",NA,NA
+"17833","2-[5-(3-Chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(3-Chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)C2=NNC(C2)C3=CC(=CC=C3)Cl","ZERSIMSEHFTYKI-UHFFFAOYSA-N",403634,NA,"PDBC17833","718702","Present",NA,NA
+"17834","2-[5-(3-Hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(3-Hydroxyphenyl)-3-[(4-hydroxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid",NA,"C1=CC=C2C(=C1)C(=NC(C(=O)N2CC(=O)O)CC3=CC=C(C=C3)O)C4=CC(=CC=C4)O","MMHYOIONHMRDBH-UHFFFAOYSA-N",391758,NA,"PDBC17834","691343","Present",NA,NA
+"17835","2-[5-(3-Methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]-1,2,4-triazol-3-yl]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Cinnamyl-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]pyrazine",NA,"COC1=CC=CC(=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC=CC4=CC=CC=C4","VZUSDZMVJPHHHA-RMKNXTFCSA-N",5921837,NA,"PDBC17835","656345","Present",NA,NA
+"17836","2-[5-(4-Bromo-2-chlorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Bromo-2-chlorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)C4C5C(C(=O)N(C5=O)C6=C(C=C(C=C6)Br)Cl)ON4C(C7=CC=CC=C7)C(=O)N","PNFNACFQVJUTPG-UHFFFAOYSA-N",402789,NA,"PDBC17836","717040","Present",NA,NA
+"17837","2-[5-(4-Bromophenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Bromophenyl)-3-(10-methylanthracen-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"CC1=C2C=CC=CC2=C(C3=CC=CC=C13)C4C5C(C(=O)N(C5=O)C6=CC=C(C=C6)Br)ON4C(C7=CC=CC=C7)C(=O)N","FBJNMZKOMXNOGE-UHFFFAOYSA-N",403574,NA,"PDBC17837","718598","Present",NA,NA
+"17838","2-[5-(4-Chlorobenzoyl)-10-methyl-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Chlorobenzoyl)-10-methyl-4H-pyrrolo[1,2-b][1,2,5]benzotriazepin-4-yl]acetic acid",NA,"CN1C2=CC=CC=C2N(C(C3=CC=CN31)CC(=O)O)C(=O)C4=CC=C(C=C4)Cl","OPCGMOIVUPNJIJ-UHFFFAOYSA-N",370735,NA,"PDBC17838","644255","Present",NA,NA
+"17839","2-[5-(4-Chlorophenyl)-1-(4-nitrophenyl)triazol-4-yl]-1,4,5,6-tetrahydropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Chlorophenyl)-1-(4-nitrophenyl)triazol-4-yl]-1,4,5,6-tetrahydropyrimidine",NA,"C1CNC(=NC1)C2=C(N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl","UUTSNIGSRGQIGQ-UHFFFAOYSA-N",371084,NA,"PDBC17839","645030","Present",NA,NA
+"17840","2-[5-(4-Chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Chlorophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]ethyl 3,4,5-trimethoxybenzoate",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2C(=S)N=C(N2)C3=CC=C(C=C3)Cl","IMKZBGWMHGPYSU-UHFFFAOYSA-N",5471842,NA,"PDBC17840","714454","Present",NA,NA
+"17841","2-[5-(4-Chlorophenyl)furan-2-yl]-5-[2-[5-[5-(4-chlorophenyl)furan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Chlorophenyl)furan-2-yl]-5-[2-[5-[5-(4-chlorophenyl)furan-2-yl]-1,3,4-oxadiazol-2-yl]ethyl]-1,3,4-oxadiazole",NA,"C1=CC(=CC=C1C2=CC=C(O2)C3=NN=C(O3)CCC4=NN=C(O4)C5=CC=C(O5)C6=CC=C(C=C6)Cl)Cl","RUVPWBHMDHPEES-UHFFFAOYSA-N",400828,NA,"PDBC17841","713334","Present",NA,NA
+"17842","2-[5-(4-Dimethylaminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Dimethylaminophenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol",NA,"CN(C)C1=CC=C(C=C1)C2CC(=NN2)C3=C(C4=CC=CC=C4C=C3)O","JVMLUKSHUAKZLI-UHFFFAOYSA-N",390445,NA,"PDBC17842","687799","Present",NA,NA
+"17843","2-[5-(4-Fluorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Fluorophenyl)-3-(2-methylacridin-9-yl)-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)C4C5C(C(=O)N(C5=O)C6=CC=C(C=C6)F)ON4C(C7=CC=CC=C7)C(=O)N","PYGQPAHLOLRICV-UHFFFAOYSA-N",403573,NA,"PDBC17843","718597","Present",NA,NA
+"17844","2-[5-(4-Methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Methoxyanilino)-1,3,4-thiadiazol-2-yl]benzene-1,4-diol",NA,"COC1=CC=C(C=C1)NC2=NN=C(S2)C3=C(C=CC(=C3)O)O","OFWZJVYHRJOOLV-UHFFFAOYSA-N",135585492,NA,"PDBC17844","730708","Present",NA,NA
+"17845","2-[5-(4-Methoxyphenyl)-1-(4-nitrophenyl)triazol-4-yl]-1,4,5,6-tetrahydropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Methoxyphenyl)-1-(4-nitrophenyl)triazol-4-yl]-1,4,5,6-tetrahydropyrimidine",NA,"COC1=CC=C(C=C1)C2=C(N=NN2C3=CC=C(C=C3)[N+](=O)[O-])C4=NCCCN4","WWVMFIGRYVIVEG-UHFFFAOYSA-N",371083,NA,"PDBC17845","645029","Present",NA,NA
+"17846","2-[5-(4-Methoxyphenyl)-4,6-dioxo-3-(4-phenylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Methoxyphenyl)-4,6-dioxo-3-(4-phenylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"COC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=CC=C(C=C5)C6=CC=CC=C6","WTMDVBRYNQYQJE-UHFFFAOYSA-N",403576,NA,"PDBC17846","718600","Present",NA,NA
+"17847","2-[5-(4-Methoxyphenyl)-4,6-dioxo-3-phenanthren-9-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Methoxyphenyl)-4,6-dioxo-3-phenanthren-9-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"COC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=CC6=CC=CC=C6C7=CC=CC=C75","APJOSNPABOIIJL-UHFFFAOYSA-N",402794,NA,"PDBC17847","717045","Present",NA,NA
+"17848","2-[5-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]-5-ureido-pentanoic acid",NA,"CC1=CN(C(=O)NC1=O)CCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","DYWFHRCBQCBQJQ-UHFFFAOYSA-N",391692,NA,"PDBC17848","691234","Present",NA,NA
+"17849","2-[5-(5-Pyridin-2-yl-1H-pyrazol-3-yl)-2H-pyrazol-3-yl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(5-Pyridin-2-yl-1H-pyrazol-3-yl)-2H-pyrazol-3-yl]pyridine",NA,"C1=CC=NC(=C1)C2=CC(=NN2)C3=NNC(=C3)C4=CC=CC=N4","LBEJULDBPRDNNA-UHFFFAOYSA-N",340685,NA,"PDBC17849","371706","Present",NA,NA
+"17850","2-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonyl-1-(4-chlorophenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonyl-1-(4-chlorophenyl)guanidine",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N=C(N)NC3=CC=C(C=C3)Cl","DSJWKWKCHKVJLC-UHFFFAOYSA-N",9572210,NA,"PDBC17850","707401","Present",NA,NA
+"17851","2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]butyl N-[6-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]butoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]butyl N-[6-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]butoxycarbonylamino]hexyl]carbamate",NA,"CCC(COC(=O)NCCCCCCNC(=O)OCC(CC)N1C=C(C(=O)NC1=O)C(=O)NC(=O)OCC)N2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","ULZNWXADHIQDMF-UHFFFAOYSA-N",364412,NA,"PDBC17851","630665","Present",NA,NA
+"17852","2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl N-[6-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl N-[6-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethoxycarbonylamino]hexyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCOC(=O)NCCCCCCNC(=O)OCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","ONNJHULUPMFCPC-UHFFFAOYSA-N",364413,NA,"PDBC17852","630666","Present",NA,NA
+"17853","2-[5-Amino-3-(4-chlorophenyl)-1H-pyrazole-1-yl]-3-phenylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-Amino-3-(4-chlorophenyl)-1H-pyrazole-1-yl]-3-phenylquinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2N4C(=CC(=N4)C5=CC=C(C=C5)Cl)N","OAQWBJHHZUPQEV-UHFFFAOYSA-N",400928,NA,"PDBC17853","713612","Present",NA,NA
+"17854","2-[5-Benzyl-3-[3-(4-chlorophenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-Benzyl-3-[3-(4-chlorophenoxy)phenyl]-4,6-dioxo-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazol-2-yl]-2-phenylacetamide",NA,"C1=CC=C(C=C1)CN2C(=O)C3C(N(OC3C2=O)C(C4=CC=CC=C4)C(=O)N)C5=CC(=CC=C5)OC6=CC=C(C=C6)Cl","ODGAFOPGXYOVCA-UHFFFAOYSA-N",402787,NA,"PDBC17854","717038","Present",NA,NA
+"17855","2-[5-Chloro-2-(4-methylsulfonylphenyl)benzimidazol-1-yl]-N-[(E)-(4-methoxyphenyl)methylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N'-(4-methoxybenzylidene)-2-(5-chloro-2-(4-(methylsu...",NA,"COC1=CC=C(C=C1)C=NNC(=O)CN2C3=C(C=C(C=C3)Cl)N=C2C4=CC=C(C=C4)S(=O)(=O)C","WORBZNSSGUYZOK-VULFUBBASA-N",155806447,NA,"PDBC17855","801882","Present",NA,NA
+"17856","2-[5-Cyano-2-methyl-2,4-bis[3-(trifluoromethyl)phenyl]-1,3-dihydropyridin-6-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-Cyano-2-methyl-2,4-bis[3-(trifluoromethyl)phenyl]-1,3-dihydropyridin-6-ylidene]propanedinitrile",NA,"CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC(=CC=C2)C(F)(F)F)C3=CC(=CC=C3)C(F)(F)F","QOIPSHGTZXHMJJ-UHFFFAOYSA-N",400099,NA,"PDBC17856","711591","Present",NA,NA
+"17857","2-[5-Fluoro-1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{2-[5-Fluoro-1-(3-piperidin-1-yl-propyl)-1H-indol-3-yl...",NA,"C1CCN(CC1)CCCN2C=C(C3=C2C=CC(=C3)F)C4=NC(=CS4)C5=CNC6=C5C=CC=N6","QUJOQEPYFAIAHS-UHFFFAOYSA-N",155805926,NA,"PDBC17857","793989","Present",NA,NA
+"17858","2-[5-Hydroxy-6-[[(3S,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-2-methyloxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-Hydroxy-6-[[(3S,8R,9S,10S,13R,14S,17S)-14-hydroxy-10,13-dimethyl-17-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthr",NA,"CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C(C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O)OC)OC7C(C(C(C(O7)CO)O)O)O","BUKUSQLKVJHYMO-RATSMJFPSA-N",396686,NA,"PDBC17858","703212","Present",NA,NA
+"17859","2-[5-Methoxy-1-(2-methoxyethyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{2-[5-methoxy-1-(2-methoxyethyl)-1H-indol-3-yl]-1,3-th...",NA,"COCCN1C=C(C2=C1C=CC(=C2)OC)C3=NC(=CS3)C4=CC5=C(N4)N=CC=C5","QVYRIXUKKQHBJC-UHFFFAOYSA-N",155815013,NA,"PDBC17859","783857","Present",NA,NA
+"17860","2-[5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]-5-(2,4,5-trichlorophenyl)-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazol-4-yl]-5-(2,4,5-trichlorophenyl)-1,3,4-oxadiazole",NA,"CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C4=NN=C(O4)C5=CC(=C(C=C5Cl)Cl)Cl","SVNZGDQNNBLTNV-UHFFFAOYSA-N",45027946,NA,"PDBC17860","740242","Present",NA,NA
+"17861","2-[5-Oxo-3-(p-tolylmethyl)-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-Oxo-3-(p-tolylmethyl)-1H-1,2,4-triazol-4-yl]isoindoline-1,3-dione",NA,"CC1=CC=C(C=C1)CC2=NNC(=O)N2N3C(=O)C4=CC=CC=C4C3=O","LFIOOYWWRHBVOV-UHFFFAOYSA-N",390058,NA,"PDBC17861","686972","Present",NA,NA
+"17862","2-[5-[(5,6-Dihydro-1,3-dithiolo[4,5-b][1,4]dithiin)-2-ylidenemethyl]thiophen-2-ylmethylene]malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidenemethyl)thiophen-2-yl]methylidene]propanedinitrile",NA,"C1CSC2=C(S1)SC(=CC3=CC=C(S3)C=C(C#N)C#N)S2","LUBSUCOEWLYESD-UHFFFAOYSA-N",397600,NA,"PDBC17862","705941","Present",NA,NA
+"17863","2-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]guanidine;nitric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-[(6-Methoxyquinolin-8-yl)amino]pentyl]guanidine;nitric acid",NA,"COC1=CC(=C2C(=C1)C=CC=N2)NCCCCCN=C(N)N.[N+](=O)(O)[O-]","MFJALNWZUBAFAU-UHFFFAOYSA-N",24186907,NA,"PDBC17863","56633","Present",NA,NA
+"17864","2-[5-[1-(Benzenesulfonyl)indole-2-carbonyl]-3,4-dihydro-2H-pyridin-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-[1-(Benzenesulfonyl)indole-2-carbonyl]-3,4-dihydro-2H-pyridin-1-yl]acetic acid",NA,"C1CC(=CN(C1)CC(=O)O)C(=O)C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4","RUDGTWFVRLKSCO-UHFFFAOYSA-N",392291,NA,"PDBC17864","692425","Present",NA,NA
+"17865","2-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)-2-[(1S,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1","LRRDDWMXYOSKIC-NPCCIQSUSA-N",397889,NA,"PDBC17865","706804","Present",NA,NA
+"17866","2-[5-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-[4-(Trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]phenol",NA,"C1C(ON=C1C2=CC=CC=C2O)C3=CC=C(C=C3)C(F)(F)F","BJDTVUPZFKWXAI-UHFFFAOYSA-N",397872,NA,"PDBC17866","706496","Present",NA,NA
+"17867","2-[5-[4-[2-[(Z)-[3-(4-Chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]ethyl]piperazin-1-yl]pentyl]benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2[5(4-{2-[3-(4-Chloroanilino)-10-(4-chlorophenyl)-2,10-d...",NA,"C1CN(CCN1CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCN=C5C=C6C(=NC7=CC=CC=C7N6C8=CC=C(C=C8)Cl)C=C5NC9=CC=C(C=C9)Cl","BNBFAURKDQRVMX-UHFFFAOYSA-N",5276681,NA,"PDBC17867","735466","Present",NA,NA
+"17868","2-[5-[5-(4,9-Dioxo-3a,9a-dihydro-1H-benzo[f]benzimidazol-2-yl)pentyldisulfanyl]pentyl]-3a,9a-dihydro-1H-benzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-[5-(4,9-Dioxo-3a,9a-dihydro-1H-benzo[f]benzimidazol-2-yl)pentyldisulfanyl]pentyl]-3a,9a-dihydro-1H-benzo[f]benzimidazole-4,9-dione",NA,"C1=CC=C2C(=C1)C(=O)C3C(C2=O)N=C(N3)CCCCCSSCCCCCC4=NC5C(N4)C(=O)C6=CC=CC=C6C5=O","UDMROSGADNIYNT-UHFFFAOYSA-N",400765,NA,"PDBC17868","713196","Present",NA,NA
+"17869","2-[6-(2,4-Dimethylphenoxy)hexylamino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766672",NA,"CC1=CC(=C(C=C1)OCCCCCCNCCO)C","ANYCHFNVJOZGEJ-UHFFFAOYSA-N",1987880,NA,"PDBC17869","766672","Present",NA,NA
+"17870","2-[6-(2,4-Dioxopyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-(2,4-Dioxopyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid",NA,"C1=CN(C(=O)NC1=O)CCCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","UTQRFJFFNFFSSG-UHFFFAOYSA-N",391689,NA,"PDBC17870","691231","Present",NA,NA
+"17871","2-[6-(3-Methylbut-2-enylamino)purin-9-yl]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-acetoxyeth...",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCOC(=O)C)C","BAJGOVYRRBKSBQ-UHFFFAOYSA-N",383740,NA,"PDBC17871","672178","Present",NA,NA
+"17872","2-[6-(4-Hydroxy-3-methoxy-benzylamino)-hexyl]-benzo[de]isoquinoline-1,3-dione para toluen sulphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-(4-Hydroxy-3-methoxy-benzylamino)-hexyl]-benzo[de]i...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C=CC(=C1)CNCCCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)O","KCLMQUFSDNXPPR-UHFFFAOYSA-N",60147760,NA,"PDBC17872","752365","Present",NA,NA
+"17873","2-[6-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-(5-Methyl-2,4-dioxo-pyrimidin-1-yl)hexoxycarbonylamino]-5-ureido-pentanoic acid",NA,"CC1=CN(C(=O)NC1=O)CCCCCCOC(=O)NC(CCCNC(=O)N)C(=O)O","UVESXBZNKCZENA-UHFFFAOYSA-N",391693,NA,"PDBC17873","691235","Present",NA,NA
+"17874","2-[6-(Azepan-1-yl)hexoxy]xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794936",NA,"C1CCCN(CC1)CCCCCCOC2=CC3=C(C=C2)OC4=CC=CC=C4C3=O","DTEPKYSLLWLWRZ-UHFFFAOYSA-N",155815003,NA,"PDBC17874","794936","Present",NA,NA
+"17875","2-[6-Amino-2-(2-aminoethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-Amino-2-(2-aminoethylsulfanyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,"C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)SCCN)N","RAEXTPFFXQEBNA-UHFFFAOYSA-N",374640,NA,"PDBC17875","652619","Present",NA,NA
+"17876","2-[6-Amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-Amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,"C1=CC(=CC=C1CSC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-]","SJDUNWMKHAWRKZ-UHFFFAOYSA-N",374644,NA,"PDBC17876","652623","Present",NA,NA
+"17877","2-[6-Amino-2-[(E)-5-iodopent-4-enyl]sulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-Amino-2-[(E)-5-iodopent-4-enyl]sulfanylpurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,"C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)SCCCC=CI)N","DSXPZPGZXGRVAV-DUXPYHPUSA-N",5467462,NA,"PDBC17877","652616","Present",NA,NA
+"17878","2-[6-[(11S,13S,17S)-17-Hydroxy-13-methyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-11-yl]hexylamino]ethyl N-[3-[4-[bis(2-chloroethyl)amino]phenyl]propyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [3-[4-[bis(2-chloroethyl)amino]phenyl]pro...",NA,"CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2O)CCCCCCNCCOC(=O)NCCCC5=CC=C(C=C5)N(CCCl)CCCl","NUVYGWMULLVQOM-YLUJQFMWSA-N",11274076,NA,"PDBC17878","733625","Present",NA,NA
+"17879","2-[6-[(E)-(4-Methoxyphenyl)methyleneamino]-7-oxo-3-phenyl-thiazolo[4,5-d]pyrimidin-2-ylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-[(E)-(4-Methoxyphenyl)methylideneamino]-7-oxo-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-2-ylidene]propanedinitrile",NA,"COC1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)SC(=C(C#N)C#N)N3C4=CC=CC=C4","YFTOQWGTDWQDIG-LGJNPRDNSA-N",9571397,NA,"PDBC17879","652029","Present",NA,NA
+"17880","2-[6-[3-(1,3-Dioxoisoindol-2-yl)propoxyamino]hexyl]isoindole-1,3-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-[3-(1,3-Dioxoisoindolin-2-yl)propoxyamino]hexyl]isoindoline-1,3-dione hydrochloride",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCCNOCCCN3C(=O)C4=CC=CC=C4C3=O.Cl","IAYXFWALXFBDSC-UHFFFAOYSA-N",396606,NA,"PDBC17880","703113","Present",NA,NA
+"17881","2-[6-[3-(Dimethylamino)propylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-[3-(Dimethylamino)propylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,"CN(C)CCCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O","XASZXEWGMGBOTD-UHFFFAOYSA-N",401214,NA,"PDBC17881","714418","Present",NA,NA
+"17882","2-[6-[[Cyano-(4-methoxyphenyl)methyl]amino]hexylamino]-2-(4-methoxyphenyl)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[6-[[Cyano-(4-methoxyphenyl)methyl]amino]hexylamino]-2-(4-methoxyphenyl)acetonitrile",NA,"COC1=CC=C(C=C1)C(C#N)NCCCCCCNC(C#N)C2=CC=C(C=C2)OC","NDJLUMWEIGSKMI-UHFFFAOYSA-N",387702,NA,"PDBC17882","681731","Present",NA,NA
+"17883","2-[7,10-Bis(carboxymethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[7,10-Bis(carboxymethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]acetic acid",NA,"C1CN(CCNCCN(CCN(CCN1)CC(=O)O)CC(=O)O)CC(=O)O","OYWGOBQIISVBFJ-UHFFFAOYSA-N",393894,NA,"PDBC17883","696854","Present",NA,NA
+"17884","2-[7-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)-9H-fluoren-2-yl]-5,5-dimethyl-1,4-dihydroimidazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[7-(5,5-Dimethyl-1,4-dihydroimidazol-2-yl)-9H-fluoren-2-yl]-5,5-dimethyl-1,4-dihydroimidazole;hydrochloride",NA,"CC1(CN=C(N1)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)C5=NCC(N5)(C)C)C.Cl","SEMOFAWLUJAWJY-UHFFFAOYSA-N",399687,NA,"PDBC17884","710605","Present",NA,NA
+"17885","2-[7-(Dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[7-(Dimethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol",NA,"CN(C)C1=NC=NC2=C1N=NN2C3C(C(C(O3)CO)O)O","JHZKUIUDOKIAQC-UHFFFAOYSA-N",280899,NA,"PDBC17885","133119","Present",NA,NA
+"17886","2-[7-Chloro-2-oxo-5-(2-pyridyl)-3H-1,4-benzodiazepin-1-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,4-Benzodiazepine-1-acetic acid, 7-chloro-2,3-dihydr...",NA,"C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=N3)CC(=O)O","OXHHEQHYXVTMEF-UHFFFAOYSA-N",292106,NA,"PDBC17886","157725","Present",NA,NA
+"17887","2-[7-Hydroxy-3-(4-nitrophenyl)-2-oxo-chromen-4-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[7-Hydroxy-3-(4-nitrophenyl)-2-oxo-chromen-4-yl]acetic acid",NA,"C1=CC(=CC=C1C2=C(C3=C(C=C(C=C3)O)OC2=O)CC(=O)O)[N+](=O)[O-]","MAKZJFIXUTYOHC-UHFFFAOYSA-N",5465900,NA,"PDBC17887","667266","Present",NA,NA
+"17888","2-[7-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]heptylamino]cyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[7-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]heptylamino]cyclohepta-2,4,6-trien-1-one",NA,"C1=CC=C(C(=O)C=C1)NCCCCCCCNC2=CC=CC=CC2=O","GVFCKYHCSZYSGV-UHFFFAOYSA-N",358334,NA,"PDBC17888","618299","Present",NA,NA
+"17889","2-[7-[3-(Carboxymethyl)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[7-[3-(Carboxymethyl)-5,6,9,10-tetrahydroxy-1-methyl-3,4-dihydro-1H-benzo[g]isochromen-7-yl]-1-methyl-5,6,9,10-tetraoxo-3,4-dihydro-1H-benzo[g]isochromen-3-yl]acetic acid",NA,"CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=O)C=C(C3=O)C4=CC(=C5C(=C4O)C(=C6CC(OC(C6=C5O)C)CC(=O)O)O)O","ABKAAFBFNWYLHX-UHFFFAOYSA-N",325174,NA,"PDBC17889","293161","Present",NA,NA
+"17890","2-[7-[[4-(Carboxymethoxy)phenyl]methyl]-8-(carboxymethyl)-3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[7-[[4-(Carboxymethoxy)phenyl]methyl]-8-(carboxymethyl)-3,3,10,10-tetramethyl-1,2,5,8-dithiadiazecan-5-yl]acetic acid",NA,"CC1(CN(CC(N(CC(SS1)(C)C)CC(=O)O)CC2=CC=C(C=C2)OCC(=O)O)CC(=O)O)C","GUAXRXASPOPXSH-UHFFFAOYSA-N",398125,NA,"PDBC17890","707552","Present",NA,NA
+"17891","2-[8-(3-Chloropropylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[8-(3-Chloropropylamino)-1,3-dimethyl-2,6-dioxo-purin-7-yl]acetic acid",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCl)CC(=O)O","UYKSMAVZJPYDBE-UHFFFAOYSA-N",392205,NA,"PDBC17891","692338","Present",NA,NA
+"17892","2-[8-(Carboxymethyl)-9-oxo-10-thia-7-azabicyclo[4.4.0]deca-1,3,5-trien-8-yl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-(2-Oxo-3,4-dihydro-2h-1,4-benzothiazine-3,3-diyl)diacetic acid",NA,"C1=CC=C2C(=C1)NC(C(=O)S2)(CC(=O)O)CC(=O)O","COFQTUDFOWNJKX-UHFFFAOYSA-N",221258,NA,"PDBC17892","5620","Present",NA,NA
+"17893","2-[8-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]octylamino]cyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[8-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]octylamino]cyclohepta-2,4,6-trien-1-one",NA,"C1=CC=C(C(=O)C=C1)NCCCCCCCCNC2=CC=CC=CC2=O","UKGMYLQCXMOFOY-UHFFFAOYSA-N",358333,NA,"PDBC17893","618298","Present",NA,NA
+"17894","2-[8-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]octyl]benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[8-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]octyl]benzo[de]isoquinoline-1,3-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","VDZXPJZMHRNYNA-QHCPKHFHSA-N",403719,NA,"PDBC17894","719121","Present",NA,NA
+"17895","2-[9-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]nonylamino]cyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[9-[(7-Oxocyclohepta-1,3,5-trien-1-yl)amino]nonylamino]cyclohepta-2,4,6-trien-1-one",NA,"C1=CC=C(C(=O)C=C1)NCCCCCCCCCNC2=CC=CC=CC2=O","LDVBSTOUEDMXDV-UHFFFAOYSA-N",358331,NA,"PDBC17895","618296","Present",NA,NA
+"17896","2-[?]ylpropane-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[?]ylpropane-1,3-diol",NA,"C1=CC2=C3C(=C1)C(C4=CC=CC(=C43)C=C2)C(CO)CO","LOJTUXVIMRBCTL-UHFFFAOYSA-N",362064,NA,"PDBC17896","625586","Present",NA,NA
+"17897","2-[Acetyl(ethoxycarbonyl)methylene]-4-ethoxycarbonyl-thiazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Acetyl(ethoxycarbonyl)methylene]-4-ethoxycarbonyl- th...",NA,"CCOC(=O)C1CSC(=N1)C(=C(C)O)C(=O)OCC","MDENZMWBVQTRSH-INTFFVIUSA-N",135499226,NA,"PDBC17897","645064","Present",NA,NA
+"17898","2-[Aminomethyl(hydroxy)phosphoryl]oxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Aminomethyl(hydroxy)phosphoryl]oxyacetic acid",NA,"C(C(=O)O)OP(=O)(CN)O","VHONJDGVQUEKFW-UHFFFAOYSA-N",363965,NA,"PDBC17898","629502","Present",NA,NA
+"17899","2-[Benzhydryl-[2-(cyclohexen-1-yl)ethyl]amino]-3-(2-bromophenyl)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Benzhydryl-[2-(1-cyclohexenyl)ethyl]amino]-3-(2-bromophenyl)propanenitrile",NA,"C1CCC(=CC1)CCN(C(CC2=CC=CC=C2Br)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4","SKSMRZIESOZWHA-UHFFFAOYSA-N",394083,NA,"PDBC17899","697221","Present",NA,NA
+"17900","2-[Benzhydryl-[2-(cyclohexen-1-yl)ethyl]amino]-3-phenylpropanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Benzhydryl-[2-(1-cyclohexenyl)ethyl]amino]-3-phenyl-propanenitrile",NA,"C1CCC(=CC1)CCN(C(CC2=CC=CC=C2)C#N)C(C3=CC=CC=C3)C4=CC=CC=C4","DSERYKOZATXRRZ-UHFFFAOYSA-N",394084,NA,"PDBC17900","697222","Present",NA,NA
+"17901","2-[Benzoyl(ethoxycarbonyl)methylene)-4-ethoxycarbonyl-thiazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Benzoyl(ethoxycarbonyl)methylene)-4-ethoxycarbonyl- t...",NA,"CCOC(=O)C1CSC(=N1)C(=C(C2=CC=CC=C2)O)C(=O)OCC","DOIBVXGOZNLSGA-JOLOJFPGSA-N",135499225,NA,"PDBC17901","645063","Present",NA,NA
+"17902","2-[Benzoyl(ethoxycarbonyl)methylene]-imidazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Benzoyl(ethoxycarbonyl)methylene]-imidazolidine",NA,"CCOC(=O)C(=C(C1=CC=CC=C1)O)C2=NCCN2","TUSKUKHNOXQVAK-QXMHVHEDSA-N",135499220,NA,"PDBC17902","645056","Present",NA,NA
+"17903","2-[Benzoyl(phenethyl)amino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Benzoyl(phenethyl)amino]propanenitrile",NA,"CC(C#N)N(CCC1=CC=CC=C1)C(=O)C2=CC=CC=C2","KSEDPOQAVMKGJT-UHFFFAOYSA-N",387707,NA,"PDBC17903","681736","Present",NA,NA
+"17904","2-[Benzyl(methyl)carbamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE42089",NA,"CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2C(=O)O","WGSQJWQUCKPCSI-UHFFFAOYSA-N",359327,NA,"PDBC17904","620112","Present",NA,NA
+"17905","2-[Benzyl(pent-3-ynyl)amino]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Benzyl(pent-3-ynyl)amino]acetonitrile",NA,"CC#CCCN(CC#N)CC1=CC=CC=C1","APAMQABRNQDOSM-UHFFFAOYSA-N",394603,NA,"PDBC17905","698183","Present",NA,NA
+"17906","2-[Benzyl-[2-(cyclohexen-1-yl)ethyl]amino]-3-phenylpropanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Benzyl-[2-(1-cyclohexenyl)ethyl]amino]-3-phenyl-propanenitrile",NA,"C1CCC(=CC1)CCN(CC2=CC=CC=C2)C(CC3=CC=CC=C3)C#N","DMYKAXORBKIWGM-UHFFFAOYSA-N",394085,NA,"PDBC17906","697223","Present",NA,NA
+"17907","2-[Benzylthio-4-chloro-5-(4-chlorophenylcarbamoyl)benzenesul fonyl]-3-methylamino-1-(5-nitrothenylidene)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Benzylthio-4-chloro-5-(4-chlorophenylcarbamoyl)benzen...",NA,"CNNC(=NS(=O)(=O)C1=C(C=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)Cl)SCC3=CC=CC=C3)N=CC4=CC=C(S4)[N+](=O)[O-]","ZHZSLUOGWFCHMQ-IBBHUPRXSA-N",11763828,NA,"PDBC17907","728507","Present",NA,NA
+"17908","2-[Bis(2-chloroethyl)aminomethyl]-4-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Bis(2-chloroethyl)aminomethyl]-4-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-5-prop-2-enylphenyl]-6-prop-2-enylphenol;hydrochloride",NA,"C=CCC1=C(C(=CC(=C1)C2=CC(=C(C(=C2)CN(CCCl)CCCl)O)CC=C)CN(CCCl)CCCl)O.Cl","RJTVSFIITKMNEI-UHFFFAOYSA-N",24182498,NA,"PDBC17908","17275","Present",NA,NA
+"17909","2-[Bis(4-chlorophenyl)methyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Bis(4-chlorophenyl)methyl]pyridine",NA,"C1=CC=NC(=C1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","YDSKKNWLDQNTTA-UHFFFAOYSA-N",297163,NA,"PDBC17909","167945","Present",NA,NA
+"17910","2-[Bis(4-fluorophenyl)methoxy]-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Bis(4-fluorophenyl)methoxy]-1-[4-(3-phenylpropyl)piperazin-1-yl]ethanone;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCCC2=CC=CC=C2)C(=O)COC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O","HISUINWLMNAXNT-BTJKTKAUSA-N",5471945,NA,"PDBC17910","715541","Present",NA,NA
+"17911","2-[Bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Bis(4-methoxyphenyl)methylideneamino]guanidine;hydrochloride",NA,"COC1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=C(C=C2)OC.Cl","IVULZAPOTGUOOX-UHFFFAOYSA-N",54609840,NA,"PDBC17911","67479","Present",NA,NA
+"17912","2-[Bis(4-methylphenyl)methylideneamino]guanidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Bis(4-methylphenyl)methylideneamino]guanidine;hydrochloride",NA,"CC1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=C(C=C2)C.Cl","OLJPWEXJNBNEHQ-UHFFFAOYSA-N",54599910,NA,"PDBC17912","67480","Present",NA,NA
+"17913","2-[Bis(hydroxymethyl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[bis(hydroxymethyl)amino]- (9CI)",NA,"C(CO)N(CO)CO","LQOUIUASQQPAGR-UHFFFAOYSA-N",357051,NA,"PDBC17913","614808","Present",NA,NA
+"17914","2-[Bis(phosphonatomethyl)amino]acetate;(1R,2S)-cyclohexane-1,2-diamine;platinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Cyclohexane-1,2-diamine[bis(phosphonatomethyl)- amin...",NA,"C1CCC(C(C1)N)N.C(C(=O)[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[Pt+2]","QQWRQQYEDIYECD-RUTFAPCESA-I",24202203,NA,"PDBC17914","632614","Present",NA,NA
+"17915","2-[Bis[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Bis[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]amino]acetic acid",NA,"C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCN(CCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)CC(=O)O","VOAULNVCTYOJJN-UHFFFAOYSA-N",384664,NA,"PDBC17915","674709","Present",NA,NA
+"17916","2-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione",NA,"CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N(C)CCBr)N(C)CCBr","WBKAOUSYPULUSP-UHFFFAOYSA-N",403577,NA,"PDBC17916","718630","Present",NA,NA
+"17917","2-[Carboxymethyl(ethyl)amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(ETHYLIMINO)DIACETIC ACID",NA,"CCN(CC(=O)O)CC(=O)O","QHHFAXFIUXRVSI-UHFFFAOYSA-N",219585,NA,"PDBC17917","1042","Present",NA,NA
+"17918","2-[Carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)cyclohexyl]amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Carboxymethyl-[2-(2,6-dioxomorpholin-4-yl)cyclohexyl]amino]acetic acid",NA,"C1CCC(C(C1)N2CC(=O)OC(=O)C2)N(CC(=O)O)CC(=O)O","NSQGXKOADTYGJA-UHFFFAOYSA-N",384587,NA,"PDBC17918","674600","Present",NA,NA
+"17919","2-[Cyano(ethoxycarbonyl)methylene]-4-ethoxycarbonyl-oxazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Cyano(ethoxycarbonyl)methylene]-4-ethoxycarbonyl- oxa...",NA,"CCOC(=O)C1COC(=C(C#N)C(=O)OCC)N1","SABCFEKSIXKNFG-INTFFVIUSA-N",5466895,NA,"PDBC17919","645066","Present",NA,NA
+"17920","2-[Di(ethoxycarbonyl)methylene]-4-ethoxycarbonyl-thiazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Di(ethoxycarbonyl)methylene]-4-ethoxycarbonyl- thiazo...",NA,"CCOC(=O)C1CSC(=C(C(=O)OCC)C(=O)OCC)N1","WBZMUIWKYUSFSI-QMMMGPOBSA-N",371118,NA,"PDBC17920","645065","Present",NA,NA
+"17921","2-[Dibutyl-(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-stannyl]oxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Dibutyl-(7-oxocyclohepta-1,3,5-trien-1-yl)oxy-stannyl]oxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,"PDBC17921","644924","Present",NA,NA
+"17922","2-[Dichloro(pyrazin-2-yl)methyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Dichloro(pyrazin-2-yl)methyl]benzonitrile",NA,"C1=CC=C(C(=C1)C#N)C(C2=NC=CN=C2)(Cl)Cl","JAQHQMKDUWBYMI-UHFFFAOYSA-N",366228,NA,"PDBC17922","634564","Present",NA,NA
+"17923","2-[Difluoro(1H-imidazol-2-ylsulfanyl)methyl]-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Difluoro(1H-imidazol-2-ylsulfanyl)methyl]-1,3-benzoxazole",NA,"C1=CC=C2C(=C1)N=C(O2)C(F)(F)SC3=NC=CN3","CILHCUUDIPODTO-UHFFFAOYSA-N",391717,NA,"PDBC17923","691257","Present",NA,NA
+"17924","2-[Difluoro(phenylsulfanyl)methyl]-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Difluoro(phenylsulfanyl)methyl]-1,3-benzoxazole",NA,"C1=CC=C(C=C1)SC(C2=NC3=CC=CC=C3O2)(F)F","RCJXSAIMCBBJAM-UHFFFAOYSA-N",391715,NA,"PDBC17924","691255","Present",NA,NA
+"17925","2-[Difluoro(pyrimidin-2-ylsulfanyl)methyl]-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Difluoro(pyrimidin-2-ylsulfanyl)methyl]-1,3-benzoxazole",NA,"C1=CC=C2C(=C1)N=C(O2)C(F)(F)SC3=NC=CC=N3","CHKAYUQQMBQSBU-UHFFFAOYSA-N",391719,NA,"PDBC17925","691259","Present",NA,NA
+"17926","2-[Difluoro-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]methyl]-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Difluoro-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]methyl]-1,3-benzoxazole",NA,"CN1C=NN=C1SC(C2=NC3=CC=CC=C3O2)(F)F","UUQHJQVUCAKLBH-UHFFFAOYSA-N",391720,NA,"PDBC17926","691260","Present",NA,NA
+"17927","2-[Diisopropoxyphosphorylmethyl(isopropoxy)phosphoryl]oxypropane; tribromo(methyl)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Diisopropoxyphosphorylmethyl(isopropoxy)phosphoryl]oxypropane; tribromo(methyl)stannane",NA,"CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C.C[Sn](Br)(Br)Br","BXWFZXBMWIOGFJ-UHFFFAOYSA-K",371344,NA,"PDBC17927","645565","Present",NA,NA
+"17928","2-[Formyl(hydroxy)amino]acetic acid;nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Formyl(hydroxy)amino]acetic acid;nickel",NA,"C(C(=O)O)N(C=O)O.[Ni]","GWVCOQAQPBRDJZ-UHFFFAOYSA-N",422601,NA,"PDBC17928","145384","Present",NA,NA
+"17929","2-[Hydroxy(phenyl)methyl]-N,N-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]dodecan-1-aminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Hydroxy(phenyl)methyl]-N,N-dimethyl-N-[(2E)-3-phenylprop-2-en-1-yl]dodecan-1-aminium chloride",NA,"CCCCCCCCCCC(C[N+](C)(C)CC=CC1=CC=CC=C1)C(C2=CC=CC=C2)O.[Cl-]","BBWWFHNKOMNRNG-GOSREXKOSA-M",24183021,NA,"PDBC17929","22994","Present",NA,NA
+"17930","2-[Hydroxy(pyridin-2-yl)methyl]-5-methylbenzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Hydroxy(pyridin-2-yl)methyl]-5-methylbenzene-1,4-diol",NA,"CC1=CC(=C(C=C1O)C(C2=CC=CC=N2)O)O","GUBATRMIVDTBKK-UHFFFAOYSA-N",385592,NA,"PDBC17930","676889","Present",NA,NA
+"17931","2-[Hydroxy-(2-nitrophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Hydroxy(2-nitrophenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-one hydrochloride",NA,"CN1C2CCC1C(C(=O)C2)C(C3=CC=CC=C3[N+](=O)[O-])O.Cl","PGZKCQOEUPLQJW-UHFFFAOYSA-N",401851,NA,"PDBC17931","715557","Present",NA,NA
+"17932","2-[Hydroxy-(4-sulfophenyl)methyl]-1-methylene-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Hydroxy-(4-sulfophenyl)methyl]-1-methylene-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid",NA,"C=C1C2=C(CC(N1C(C3=CC=C(C=C3)S(=O)(=O)O)O)C(=O)O)C4=CC=CC=C4N2","CXHFAVSXOZLSOX-UHFFFAOYSA-N",364070,NA,"PDBC17932","629709","Present",NA,NA
+"17933","2-[Hydroxy-[2-(naphthalene-2-carbonylamino)ethoxy]phosphoryl]oxyethyl-trimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Naphthalen-2-ylcarbonyl)amino]ethyl 2-(trimethylammonio)ethyl phosphate",NA,"C[N+](C)(C)CCOP(=O)([O-])OCCNC(=O)C1=CC2=CC=CC=C2C=C1","OKRAYHKBTSNJCG-UHFFFAOYSA-N",380330,NA,"PDBC17933","665857","Present",NA,NA
+"17934","2-[Hydroxy-[hydroxy-[[5-(4-imino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methoxy]phosphoryl]oxy-phosphoryl]oxyethyl-trimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [hydroxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl] phosphate",NA,"C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OCC1CCC(O1)N2C=CC(=NC2=O)N","NZCQWOIOZLKJHJ-UHFFFAOYSA-N",357507,NA,"PDBC17934","616791","Present",NA,NA
+"17935","2-[Methoxy(methyl)amino]ethene-1,1,2-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Methoxy(methyl)amino]ethene-1,1,2-tricarbonitrile",NA,"CN(C(=C(C#N)C#N)C#N)OC","LUZNNGPNPWKRFI-UHFFFAOYSA-N",379209,NA,"PDBC17935","663620","Present",NA,NA
+"17936","2-[Methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-5-nitro-benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]-5-nitro-benzo[de]isoquinoline-1,3-dione",NA,"CN(CC1=CC(=C(C(=C1)OC)OC)OC)N2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]","ROPHIZOMXOPURD-UHFFFAOYSA-N",383384,NA,"PDBC17936","671555","Present",NA,NA
+"17937","2-[N'-(2-Hydroxy-benzylidene)-hydrazino]-3-phenyl-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[N'-(2-Hydroxy-benzylidene)-hydrazino]-3-phenyl-3H-quinazolin-4-one",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NN=CC4=CC=CC=C4O","YOFALMLXFIWTON-HYARGMPZSA-N",135411821,NA,"PDBC17937","666354","Present",NA,NA
+"17938","2-[N-(2-Methylsulfonyloxyethyl)-4-[(E)-[4-[2-(phenoxymethyl)thiazol-4-yl]phenyl]iminomethyl]anilino]ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2,2'-[[4-[[[4-[2-(phenoxymethyl)-4-thiazolyl]ph...",NA,"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CSC(=N3)COC4=CC=CC=C4","XLLDEPOMEUPDBU-UHFFFAOYSA-N",322463,NA,"PDBC17938","280074","Present",NA,NA
+"17939","2-[N-(4-Phenylazophenylthiocarbamoyl)]-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[N-(4-Phenylazophenylthiocarbamoyl)]-benzoic acid",NA,"C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)SC3=CC=CC=C3C(=O)O","SGEMJGRKIQHCTC-UHFFFAOYSA-N",363907,NA,"PDBC17939","629295","Present",NA,NA
+"17940","2-[N-(4-Phenylazophenylthiocarbamoyl)]-propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[N-(4-Phenylazophenylthiocarbamoyl)]-propanoic acid",NA,"CC(C(=O)O)SC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2","BTLZOCHJGPCZEV-UHFFFAOYSA-N",363908,NA,"PDBC17940","629296","Present",NA,NA
+"17941","2-[Tert-butyl(diphenyl)silyl]oxy-4-(triphenyl-lambda5-phosphanylidene)pentan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Tert-butyl(diphenyl)silyl]oxy-4-(triphenyl-lambda5-phosphanylidene)pentan-3-one",NA,"CC(C(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C","IDQPQEIKHBHGKG-UHFFFAOYSA-N",357886,NA,"PDBC17941","617420","Present",NA,NA
+"17942","2-[Tert-butyl(methyl)carbamoyl]cubane-1,3,5,7-tetracarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Tert-butyl(methyl)carbamoyl]cubane-1,3,5,7-tetracarboxylic acid",NA,"CC(C)(C)N(C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)O)C(=O)O)C(=O)O)C(=O)O","ZEPFVKBECFBXLF-UHFFFAOYSA-N",386914,NA,"PDBC17942","679815","Present",NA,NA
+"17943","2-[Tert-butyl(methyl)carbamoyl]cubane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Tert-butyl(methyl)carbamoyl]cubane-1-carboxylic acid",NA,"CC(C)(C)N(C)C(=O)C12C3C4C1C5C4C3C25C(=O)O","DBVSKLGRBWLFAS-UHFFFAOYSA-N",369211,NA,"PDBC17943","640917","Present",NA,NA
+"17944","2-[Tris(4-methoxyphenyl)methylsulfanyl]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Tris(4-methoxyphenyl)methylsulfanyl]ethanol",NA,"COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)SCCO","KDSJTBWSUOVMRF-UHFFFAOYSA-N",401183,NA,"PDBC17944","714384","Present",NA,NA
+"17945","2-[[(1-Methyl-1H-imidazole-2-yl)thio]difluoromethyl]benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(1-Methyl-1H-imidazole-2-yl)thio]difluoromethyl]benzoxazole",NA,"CN1C=CN=C1SC(C2=NC3=CC=CC=C3O2)(F)F","AHRGVPMJJOFONL-UHFFFAOYSA-N",391718,NA,"PDBC17945","691258","Present",NA,NA
+"17946","2-[[(1-Methyl-1H-tetrazole-5-yl)thio]difluoromethyl]benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(1-Methyl-1H-tetrazole-5-yl)thio]difluoromethyl]benzoxazole",NA,"CN1C(=NN=N1)SC(C2=NC3=CC=CC=C3O2)(F)F","SRYYCBMUQSFIOA-UHFFFAOYSA-N",391721,NA,"PDBC17946","691261","Present",NA,NA
+"17947","2-[[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]amino]ethanol",NA,"C(CO)NC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","IKEHHZJSTQEECQ-XQRVVYSFSA-N",3004949,NA,"PDBC17947","665089","Present",NA,NA
+"17948","2-[[(1S,2S,4R)-2-Benzylsulfanyl-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]methyl]-6-methylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[(1s,2s,4r)-2-(Benzylsulfanyl)-1,3,3-trimethylbicyclo[2.2.1]hept-2-yl]methyl}-6-methylpyridine",NA,"CC1=NC(=CC=C1)CC2(C(C3CCC2(C3)C)(C)C)SCC4=CC=CC=C4","SOJRMMPXQXUKCQ-FGCOXFRFSA-N",400144,NA,"PDBC17948","711638","Present",NA,NA
+"17949","2-[[(1S,5R)-1,5-Dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(1S,5R)-1,5-Dimethyl-9-methylidene-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]ethanol",NA,"CC1CCC2C(=C)C(OC3C24C1CCC(O3)(OO4)C)OCCO","YPWTVAGOIFEWNG-CIZRTWFWSA-N",45027785,NA,"PDBC17949","711175","Present",NA,NA
+"17950","2-[[(1S,5S,8Z,12S,20S)-13-Phenoxycarbonyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyn-5-yl]oxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(1S,5S,8Z,12S,20S)-13-Phenoxycarbonyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyn-5-yl]oxy]acetic acid",NA,"C1CC2(C#CC=CC#CC3C4(C1)C2(O4)C5=CC=CC=C5N3C(=O)OC6=CC=CC=C6)OCC(=O)O","WSZVTRXCFBRSSY-BKJHRCCMSA-N",54604782,NA,"PDBC17950","677586","Present",NA,NA
+"17951","2-[[(1Z,3E)-4-(Benzotriazol-1-yl)-1,2-dichloro-4-(4-ethoxyanilino)-3-nitrobuta-1,3-dienyl]amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(1Z,3E)-4-(Benzotriazol-1-yl)-1,2-dichloro-4-(4-ethoxyanilino)-3-nitrobuta-1,3-dienyl]amino]ethanol",NA,"CCOC1=CC=C(C=C1)NC(=C(C(=C(NCCO)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","BLEKUQRNIUGZQT-XPWSMXQVSA-N",5470201,NA,"PDBC17951","698380","Present",NA,NA
+"17952","2-[[(2,6-Dimethylphenyl)carbamothioylamino]methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(2,6-Dimethylphenyl)carbamothioylamino]methylene]propanediamide",NA,"CC1=C(C(=CC=C1)C)NC(=S)NC=C(C(=O)N)C(=O)N","OCQPLQLGWYPZRZ-UHFFFAOYSA-N",3004553,NA,"PDBC17952","658331","Present",NA,NA
+"17953","2-[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]amino]benzoic acid",NA,NA,NA,NA,NA,"PDBC17953","628572","Present",NA,NA
+"17954","2-[[(2-Aminobenzoyl)oxy-dioctyl-stannyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(2-Aminobenzoyl)oxy-dioctyl-stannyl]amino]benzoic acid",NA,NA,NA,NA,NA,"PDBC17954","633506","Present",NA,NA
+"17955","2-[[(2-Pyridinyl)thio]difluoromethyl]benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Difluoro(pyridin-2-ylsulfanyl)methyl]-1,3-benzoxazole",NA,"C1=CC=C2C(=C1)N=C(O2)C(F)(F)SC3=CC=CC=N3","RWPXZBKSQFEUTN-UHFFFAOYSA-N",391716,NA,"PDBC17955","691256","Present",NA,NA
+"17956","2-[[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl]thio]-5-chlorobenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl]thio]-5-chlorobenzoic acid",NA,"CC(=CCCC(=CCCC(=CCSC1=C(C=C(C=C1)Cl)C(=O)O)C)C)C","BNENOULFKRUUQV-IJUJUXHTSA-N",5469319,NA,"PDBC17956","685987","Present",NA,NA
+"17957","2-[[(2R)-2-Hydroxycyclohexyl]-methylamino]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(2R)-2-Hydroxycyclohexyl]-methylamino]acetonitrile",NA,"CN(CC#N)C1CCCCC1O","CZBCGGZQZJHMDJ-YGPZHTELSA-N",357751,NA,"PDBC17957","617273","Present",NA,NA
+"17958","2-[[(2R)-2-Hydroxycyclopentyl]-[(1S)-1-phenylethyl]amino]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(2R)-2-Hydroxycyclopentyl]-[(1S)-1-phenylethyl]amino]acetonitrile",NA,"CC(C1=CC=CC=C1)N(CC#N)C2CCCC2O","KJHGQMRPDVTOPD-XSDATEAUSA-N",357647,NA,"PDBC17958","617168","Present",NA,NA
+"17959","2-[[(3,4-Dichlorophenyl)carbamothioylamino]methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(3,4-Dichlorophenyl)carbamothioylamino]methylene]propanediamide",NA,"C1=CC(=C(C=C1NC(=S)NC=C(C(=O)N)C(=O)N)Cl)Cl","ALFOLAHKBDEAAU-UHFFFAOYSA-N",3004556,NA,"PDBC17959","658334","Present",NA,NA
+"17960","2-[[(3S,8S,9S,10R,11S,13S,14S,16S,17R)-3,11-Dihydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methyloxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(3S,8S,9S,10R,11S,13S,14S,16S,17R)-3,11-Dihydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-methy",NA,"CC1C(C(C(C(O1)OC2CC3C4CC=C5CC(CCC5(C4C(CC3(C2C(C)C(CCC(C)C)O)C)O)C)O)O)O)O","YCZAEBFSTKVRIP-UQNCHJDOSA-N",392623,NA,"PDBC17960","693185","Present",NA,NA
+"17961","2-[[(4-Chlorophenyl)imino]methyl]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(4-Chlorophenyl)imino]methyl]-3-hydroxy-4-cyanopyrido[1,2-a]benzimidazol-1(5H)-one",NA,"C1=CC=C2C(=C1)NC3=C(C(=C(C(=O)N23)C=NC4=CC=C(C=C4)Cl)O)C#N","SASCQYZHWAEJPR-UHFFFAOYSA-N",135409143,NA,"PDBC17961","659488","Present",NA,NA
+"17962","2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-6-methyloxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-6-methyloxane-3,4,5-triol",NA,"CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(C(O4)C)O)O)O)C)C=C(C)C)C","LIAAPIYLHKRUNZ-XOSITHTRSA-N",24205888,NA,"PDBC17962","737081","Present",NA,NA
+"17963","2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]oxane-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]oxane-3,4,5-triol",NA,"CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(CO4)O)O)O)C)C=C(C)C)C","MWZXYPPIOWWIFA-YLMRZGRFSA-N",24205889,NA,"PDBC17963","737082","Present",NA,NA
+"17964","2-[[(4Z)-4-Benzylidene-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(4Z)-4-Benzylidene-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione",NA,"C1C(=O)NC(=NN2C(=NC(=CC3=CC=CC=C3)C2=O)C4=CC=CC=C4)NC1=O","HQYNFWCLLKWBHR-PTNGSMBKSA-N",135493985,NA,"PDBC17964","687814","Present",NA,NA
+"17965","2-[[(4Z)-4-[(3,4-Dichlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4Z)-4-[(3,4-Dichlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1,3-diazinane-4,6-dione",NA,"C1C(=O)NC(=NN2C(=NC(=CC3=CC(=C(C=C3)Cl)Cl)C2=O)C4=CC=CC=C4)NC1=O","PGWSHZXVGCVESQ-DHDCSXOGSA-N",135493987,NA,"PDBC17965","687816","Present",NA,NA
+"17966","2-[[(4Z)-4-[(4-Chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(4Z)-4-[(4-Chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione",NA,"C1C(=O)NC(=NN2C(=NC(=CC3=CC=C(C=C3)Cl)C2=O)C4=CC=CC=C4)NC1=O","BFRKPOSWQTWIKZ-GDNBJRDFSA-N",135493986,NA,"PDBC17966","687815","Present",NA,NA
+"17967","2-[[(4Z)-4-[(4-Methoxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(4Z)-4-[(4-Methoxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N=C4NC(=O)CC(=O)N4","SXNPXNCSOIYSSN-WJDWOHSUSA-N",135493989,NA,"PDBC17967","687820","Present",NA,NA
+"17968","2-[[(4Z)-4-[2-(2-Furyl)-2-oxo-ethylidene]-5-oxo-2-phenyl-imidazol-1-yl]amino]-1H-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4Z)-4-[2-(Furan-2-yl)-2-oxoethylidene]-5-oxo-2-phenylimidazol-1-yl]imino-1,3-diazinane-4,6-dione",NA,"C1C(=O)NC(=NN2C(=NC(=CC(=O)C3=CC=CO3)C2=O)C4=CC=CC=C4)NC1=O","KKHJFPVAEMFJIT-XFXZXTDPSA-N",135493988,NA,"PDBC17968","687817","Present",NA,NA
+"17969","2-[[(6-Methoxyquinolin-8-yl)amino]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[(6-Methoxyquinolin-8-yl)amino]methyl}phenol",NA,"COC1=CC(=C2C(=C1)C=CC=N2)NCC3=CC=CC=C3O","CXGNSWUILAKOTG-UHFFFAOYSA-N",279609,NA,"PDBC17969","130801","Present",NA,NA
+"17970","2-[[(6As,13aS)-6a,8,13-trimethyl-5,7,8,13a-tetrahydroquinolino[4,3-b][1]benzazepin-6-ylidene]amino]ethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(6As,13aS)-6a,8,13-trimethyl-5,7,8,13a-tetrahydroquinolino[4,3-b][1]benzazepin-6-ylidene]amino]ethanamine;hydrochloride",NA,"CC1CC2(C(C3=CC=CC=C3NC2=NCCN)N(C4=CC=CC=C14)C)C.Cl","BZPBDQHHDUQPMR-HNZDZMKBSA-N",135509165,NA,"PDBC17970","664569","Present",NA,NA
+"17971","2-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl 9-oxo-10H-acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl 9-oxo-10H-acridine-4-carboxylate",NA,"CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NCCOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34","RNNVAXDYBXNRQD-ZFDGKHGXSA-N",397929,NA,"PDBC17971","706993","Present",NA,NA
+"17972","2-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]ethyl acridine-4-carboxylate",NA,"CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NCCOC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)CCC34","FGPQFRAMWAWRGN-MELLZYLFSA-N",397930,NA,"PDBC17972","706994","Present",NA,NA
+"17973","2-[[(E)-(4-Methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(E)-(4-Methoxyphenyl)iminocarbamoyl]amino]-4-methyl-pentanamide",NA,"CC(C)CC(C(=O)N)NC(=O)N=NC1=CC=C(C=C1)OC","BUIWSFNYUVKSLU-UHFFFAOYSA-N",390563,NA,"PDBC17973","688071","Present",NA,NA
+"17974","2-[[(E)-(Benzo[b]thiophene-3-yl)methylene]amino]-3-aminomaleonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-amino-3-{[(1E)-1-benzothien-3-ylmethylene]amino}b...",NA,"C1=CC=C2C(=C1)C(=CS2)C=NC(=C(C#N)N)C#N","NUUNIYSJLDAZHW-JYARQQABSA-N",24202815,NA,"PDBC17974","726033","Present",NA,NA
+"17975","2-[[(E)-1-Pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(E)-1-Pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid",NA,"CC(=NNC(=S)NC(CCC(=O)O)C(=O)O)C1=NC=CN=C1","WFLNUUBKYFZGLG-FRKPEAEDSA-N",9571685,NA,"PDBC17975","645626","Present",NA,NA
+"17976","2-[[(E)-1-Pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(E)-1-Pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioic acid",NA,"CC(=NNC(=S)NC(CCC(=O)O)C(=O)O)C1=CC=CC=N1","WRESCHAULIZHSW-LZYBPNLTSA-N",9571682,NA,"PDBC17976","645623","Present",NA,NA
+"17977","2-[[(E)-3-(3,4-Diacetyloxyphenyl)prop-2-enoyl]amino]ethyl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Diacetoxycinnamic acid 2-[(3,4-diacetoxycinnamoyl)amino]ethyl ester",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NCCOC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","AAOUHTYFBALOPI-MKICQXMISA-N",5470292,NA,"PDBC17977","699167","Present",NA,NA
+"17978","2-[[(E)-[1,1-Bis(hydroxymethyl)ethyl]imino]methyl]-4,6-diiodophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(E)-[1,1-Bis(hydroxymethyl)ethyl]imino]methyl]-4,6-diiodophenol",NA,"CC(CO)(CO)N=CC1=C(C(=CC(=C1)I)I)O","BLROBJDNWBFFTJ-UHFFFAOYSA-N",271182,NA,"PDBC17978","114609","Present",NA,NA
+"17979","2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O","RMSFWGCAZZFJSW-HMAPJEAMSA-N",6477538,NA,"PDBC17979","686411","Present",NA,NA
+"17980","2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C(=O)NC3=CC=CC=C3C(=O)NCCCO","ZHVYQWWWBZLRIW-XLNRJJMWSA-N",6477546,NA,"PDBC17980","686425","Present",NA,NA
+"17981","2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]benzoic acid",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C(=O)NC3=CC=CC=C3C(=O)O","CMLYJMIMIITALH-RGEXLXHISA-N",6477566,NA,"PDBC17981","690950","Present",NA,NA
+"17982","2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]butanedioic acid",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C(=O)NC(CC(=O)O)C(=O)O","PDXQGEQJZVWYKU-UVTDQMKNSA-N",6477568,NA,"PDBC17982","690956","Present",NA,NA
+"17983","2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-2-Benzamido-3-(2-hydroxyphenyl)prop-2-enoyl]amino]propanoic acid",NA,"CC(C(=O)O)NC(=O)C(=CC1=CC=CC=C1O)NC(=O)C2=CC=CC=C2","DAOHVZHZODOYEF-PTNGSMBKSA-N",6477547,NA,"PDBC17983","686426","Present",NA,NA
+"17984","2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-3-(1H-indol-3-yl)propanoic acid",NA,"CN(C)C1=CC=C(C=C1)C=C(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4=CC=CC=C4","BQXJKMKXYAFKGB-XYGWBWBKSA-N",5917748,NA,"PDBC17984","686422","Present",NA,NA
+"17985","2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]benzoic acid",NA,"CN(C)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)C3=CC=CC=C3","BENCLXJGOPPQNA-JWGURIENSA-N",5794267,NA,"PDBC17985","690953","Present",NA,NA
+"17986","2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]butanedioic acid",NA,"CN(C)C1=CC=C(C=C1)C=C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C2=CC=CC=C2","NYGWVXFNECLBDK-ATVHPVEESA-N",6109488,NA,"PDBC17986","686409","Present",NA,NA
+"17987","2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]pentanedioic acid",NA,"CN(C)C1=CC=C(C=C1)C=C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2=CC=CC=C2","GFUZTMLAILXNER-RGEXLXHISA-N",5917745,NA,"PDBC17987","686418","Present",NA,NA
+"17988","2-[[(Z)-4-(2-Aminoethyldisulfanyl)but-2-enyl]disulfanyl]ethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624167///NSC624168",NA,"C(CSSCC=CCSSCCN)N.Cl","LWFGVZOHUKLPAI-ODZAUARKSA-N",5387488,NA,"PDBC17988","624167///624168","Present",NA,NA
+"17989","2-[[(Z)-C-[4-(Dimethylamino)phenyl]-N-[(4-methylbenzoyl)amino]carbonimidoyl]diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Z)-C-[4-(Dimethylamino)phenyl]-N-[(4-methylbenzoyl)amino]carbonimidoyl]diazenyl]benzoic acid",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=CC=C3C(=O)O","HJDNZBPKVHACFW-UVAYCXRGSA-N",135505196,NA,"PDBC17989","704103","Present",NA,NA
+"17990","2-[[1-(Chloromethoxy)-2-(dimethylamino)ethyl]amino]-N-[2-[[4-[2-[[2-[[1-(chloromethoxy)-2-(dimethylamino)ethyl]amino]-2-(sulfanylmethylamino)acetyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl]-2-(sulfanylmethylamino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[1-(Chloromethoxy)-2-(dimethylamino)ethyl]amino]-N-[2-[[4-[2-[[2-[[1-(chloromethoxy)-2-(dimethylamino)ethyl]amino]-2-(sulfanylmethylamino)acetyl]amino]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-",NA,"CN(C)CC(NC(C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(NCS)NC(CN(C)C)OCCl)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCS)OCCl","QLRYIDUGEQXRPB-UHFFFAOYSA-N",438971,NA,"PDBC17990","692228","Present",NA,NA
+"17991","2-[[1-Amino-2-[4-(diaminomethylideneamino)phenyl]ethyl]amino]acetic acid;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[1-Amino-2-(4-guanidinophenyl)ethyl]amino]acetic acid; 2,2,2-trifluoroacetic acid",NA,"C1=CC(=CC=C1CC(N)NCC(=O)O)N=C(N)N.C(=O)(C(F)(F)F)O","XUNANFYATNOQIP-UHFFFAOYSA-N",388723,NA,"PDBC17991","683779","Present",NA,NA
+"17992","2-[[1-[6-[3-[[Bis(carboxymethyl)amino]methyl]pyrazol-1-yl]-2-pyridyl]pyrazol-3-yl]methyl-(carboxymethyl)amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[1-[6-[3-[[Bis(carboxymethyl)amino]methyl]pyrazol-1-yl]pyridin-2-yl]pyrazol-3-yl]methyl-(carboxymethyl)amino]acetic acid",NA,"C1=CC(=NC(=C1)N2C=CC(=N2)CN(CC(=O)O)CC(=O)O)N3C=CC(=N3)CN(CC(=O)O)CC(=O)O","YNIGELUCPUDHFO-UHFFFAOYSA-N",383330,NA,"PDBC17992","671445","Present",NA,NA
+"17993","2-[[1-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-3-[[(1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]propan-2-ylidene]amino]oxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[1-[[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]-3-[[(1R,4S,5R,8S,9R,10S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC(=NOCC(=O)O)COC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C","ZNFQFXRNJVRFBO-YLAAHBJNSA-N",45027898,NA,"PDBC17993","735846","Present",NA,NA
+"17994","2-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[1-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C=C(N=N3)CN4C(=O)NC(=O)C=N4)O","CWODJSMVWRIQCA-UHFFFAOYSA-N",392015,NA,"PDBC17994","691814","Present",NA,NA
+"17995","2-[[11,17,23-Tris(carboxymethylsulfanylmethyl)-25,26,27,28-tetrahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methylsulfanyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[11,17,23-Tris(carboxymethylsulfanylmethyl)-25,26,27,28-tetrahydroxy-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methylsulfanyl]acet",NA,"C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)CSCC(=O)O)CC5=C(C1=CC(=C5)CSCC(=O)O)O)O)CSCC(=O)O)CSCC(=O)O","SAJBEQRPUQAAGE-UHFFFAOYSA-N",373833,NA,"PDBC17995","650796","Present",NA,NA
+"17996","2-[[2,4-Dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-(2-phenylphenyl)butanoyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2,4-Dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-(2-phenylphenyl)butanoyl]amino]benzoic acid",NA,"C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5C(=O)O","LAHGJCLPEBQCAA-UHFFFAOYSA-N",369820,NA,"PDBC17996","642015","Present",NA,NA
+"17997","2-[[2,6-Bis[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-4-pyridyl]methyl]-1,1,1,3,3,3-hexafluoro-propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2,6-Bis[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyridin-4-yl]methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol",NA,"C1=C(C=C(N=C1CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O","DHLZQCZWFGKLCH-UHFFFAOYSA-N",377661,NA,"PDBC17997","659242","Present",NA,NA
+"17998","2-[[2-(1,3-Dicarboxypropylimino)-1,2-diphenylethylidene]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(2e)-2-(1-Carboxy-4-hydroxy-4-oxo-butyl)imino-1,2-diphenyl-ethylidene]amino]pentanedioic acid",NA,"C1=CC=C(C=C1)C(=NC(CCC(=O)O)C(=O)O)C(=NC(CCC(=O)O)C(=O)O)C2=CC=CC=C2","DFAPQIOKWBUOPT-UHFFFAOYSA-N",395215,NA,"PDBC17998","699689","Present",NA,NA
+"17999","2-[[2-(3,4-Dichlorophenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(3,4-Dichlorophenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione",NA,"C1C(=O)NC(=NN2C(SCC2=O)C3=CC(=C(C=C3)Cl)Cl)NC1=O","OJFNKVMGTFXJFN-UHFFFAOYSA-N",135408032,NA,"PDBC17999","687811","Present",NA,NA
+"18000","2-[[2-(4-Aminobenzoyloxy)butylacetyl]amino]-4-carbethoxymeth ylthiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(4-aminobenzoyloxy)butylacetyl]amino]-4-carbethoxy...",NA,"CCCCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)OC(=O)C2=CC=C(C=C2)N","GRZGEAFRXMVHQJ-UHFFFAOYSA-N",24205624,NA,"PDBC18000","736281","Present",NA,NA
+"18001","2-[[2-(4-Benzoylphenyl)acetyl]amino]-4-methylsulfanyl-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(4-Benzoylphenyl)acetyl]amino]-4-methylsulfanyl-butanoic acid",NA,"CSCCC(C(=O)O)NC(=O)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2","MSLUEPNVDDGZPD-UHFFFAOYSA-N",386362,NA,"PDBC18001","678158","Present",NA,NA
+"18002","2-[[2-(4-Butylanilino)-6-chloro-purin-7-yl]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(4-Butylanilino)-6-chloro-purin-7-yl]methoxy]ethyl acetate",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N(C=N3)COCCOC(=O)C","WYDSAAWBURLMSO-UHFFFAOYSA-N",387670,NA,"PDBC18002","681695","Present",NA,NA
+"18003","2-[[2-(4-Butylanilino)-6-chloro-purin-9-yl]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(4-Butylanilino)-6-chloro-purin-9-yl]methoxy]ethyl acetate",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3COCCOC(=O)C","AYSQAHYTHOBYJR-UHFFFAOYSA-N",387674,NA,"PDBC18003","681699","Present",NA,NA
+"18004","2-[[2-(4-Chlorophenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(4-Chlorophenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione",NA,"C1C(=O)NC(=NN2C(SCC2=O)C3=CC=C(C=C3)Cl)NC1=O","PNXAJBAMLNQNFG-UHFFFAOYSA-N",135450450,NA,"PDBC18004","687810","Present",NA,NA
+"18005","2-[[2-(4-Fluorobenzyloxy)ethoxy]methyl]-5-aminooxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(4-Fluorobenzyloxy)ethoxy]methyl]-5-aminooxazole-4-carbonitrile",NA,"C1=CC(=CC=C1COCCOCC2=NC(=C(O2)N)C#N)F","QATYAPYZKXGQDX-UHFFFAOYSA-N",390378,NA,"PDBC18005","687720","Present",NA,NA
+"18006","2-[[2-(4-Methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(4-Methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile",NA,"COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)C#N","KGKWNULLCCJCPE-UHFFFAOYSA-N",16101433,NA,"PDBC18006","749026","Present",NA,NA
+"18007","2-[[2-(4-Methoxyphenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(4-Methoxyphenyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione",NA,"COC1=CC=C(C=C1)C2N(C(=O)CS2)N=C3NC(=O)CC(=O)N3","PRWMDBCWXZOLIT-UHFFFAOYSA-N",135399228,NA,"PDBC18007","687812","Present",NA,NA
+"18008","2-[[2-(Carboxymethylimino)-1,2-diphenylethylidene]amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(2e)-2-(Carboxymethylimino)-1,2-diphenyl-ethylidene]amino]acetic acid",NA,"C1=CC=C(C=C1)C(=NCC(=O)O)C(=NCC(=O)O)C2=CC=CC=C2","PTGDKCFPPZEEEN-UHFFFAOYSA-N",395212,NA,"PDBC18008","699686","Present",NA,NA
+"18009","2-[[2-(Dimethylamino)ethyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(Dimethylamino)ethyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCN(C)C)I.Cl","DVPHKZKNWGJMLE-UHFFFAOYSA-N",45028519,NA,"PDBC18009","743066","Present",NA,NA
+"18010","2-[[2-(Dimethylamino)ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(Dimethylamino)ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CNCCN(C)C)I.Cl","YMOBYNAYKZMMAR-UHFFFAOYSA-N",45028521,NA,"PDBC18010","743067","Present",NA,NA
+"18011","2-[[2-(Furan-2-carbonyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(Furan-2-carbonyl)-4-oxo-thiazolidin-3-yl]amino]-1H-pyrimidine-4,6-dione",NA,"C1C(=O)NC(=NN2C(SCC2=O)C(=O)C3=CC=CO3)NC1=O","IZEMAPASCCZASY-UHFFFAOYSA-N",135450451,NA,"PDBC18011","687813","Present",NA,NA
+"18012","2-[[2-(N-Methylanilino)acetyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Anilnoacetyl)aminobenzoic acid",NA,"CN(CC(=O)NC1=CC=CC=C1C(=O)O)C2=CC=CC=C2","BJXLDMRHVAZHAF-UHFFFAOYSA-N",386383,NA,"PDBC18012","678354","Present",NA,NA
+"18013","2-[[2-(Trifluoromethyl)pyridin-4-yl]amino]-N-(3,4,5-trimethoxyphenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(Trifluoromethyl)pyridin-4-yl]amino]-N-(3,4,5-trimethoxyphenyl)benzamide",NA,"COC1=CC(=CC(=C1OC)OC)NC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F","GBYIQASCSVGVBP-UHFFFAOYSA-N",45027964,NA,"PDBC18013","740355","Present",NA,NA
+"18014","2-[[2-Amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioic acid;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678526///NSC678528",NA,"C1=CC(=CC=C1CC(C(=O)NC(CCC(=O)O)C(=O)O)N)N(CCCl)CCCl.C(=O)(C(F)(F)F)O","LAQGCTJXUWSZEC-UHFFFAOYSA-N",386484,NA,"PDBC18014","678526///678528","Present",NA,NA
+"18015","2-[[2-Butyl-3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]methyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-butyl-1-(naphthalen-2-ylmethyl)-3-(quinolin-2-ylmethyl...",NA,"CCCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","PQLHHKVGDWJIPA-UHFFFAOYSA-N",134138143,NA,"PDBC18015","793139","Present",NA,NA
+"18016","2-[[2-Chloro-4-[[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-Chloro-4-[[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole",NA,"C1=CC(=C(C=C1OCC2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl)Cl)OCC4=NN=C(O4)COC5=C(C=C(C=C5)Cl)Cl","BEUBRONWQAKUJJ-UHFFFAOYSA-N",403740,NA,"PDBC18016","719150","Present",NA,NA
+"18017","2-[[2-Chloro-4-[[5-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-5-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-Chloro-4-[[5-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-5-[5-(2,4-dichlorophenyl)furan-2-yl]-1,3,4-oxadiazole",NA,"C1=CC(=C(C=C1OCC2=NN=C(O2)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)Cl)OCC5=NN=C(O5)C6=CC=C(O6)C7=C(C=C(C=C7)Cl)Cl","IUOGCBPDMYJETO-UHFFFAOYSA-N",403743,NA,"PDBC18017","719153","Present",NA,NA
+"18018","2-[[2-Hydroxy-3-[(2-hydroxy-3,5-dimethyl-phenyl)methyl]phenyl]methyl]-4,6-dimethyl-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-Hydroxy-3-[(2-hydroxy-3,5-dimethyl-phenyl)methyl]phenyl]methyl]-4,6-dimethyl-phenol",NA,"CC1=CC(=C(C(=C1)CC2=C(C(=CC=C2)CC3=CC(=CC(=C3O)C)C)O)O)C","ZBVMHRPGUVTUBV-UHFFFAOYSA-N",241066,NA,"PDBC18018","48168","Present",NA,NA
+"18019","2-[[2-Methoxy-3-(methyl-octadecyl-amino)propoxy]-oxido-phosphoryl]oxyethyl-trimethyl-azanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Aza-3,5-dioxa-4-phosphaheptacosan-1-aminium, 4-hydroxy...",NA,"CCCCCCCCCCCCCCCCCCN(C)CC(COP(=O)([O-])OCC[N+](C)(C)C)OC","IMBDJLSSCGCJMU-UHFFFAOYSA-N",131968,NA,"PDBC18019","643828","Present",NA,NA
+"18020","2-[[2-Methyl-3-(naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]methyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methyl-1-(naphthalen-2-ylmethyl)-3-(quinolin-2-ylmethy...",NA,"CC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","LPTGLEKMPDFNEX-UHFFFAOYSA-N",134147192,NA,"PDBC18020","791102","Present",NA,NA
+"18021","2-[[2-Oxo-3-(phenylcarbamoyl)chromen-6-yl]diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-Oxo-3-(phenylcarbamoyl)chromen-6-yl]diazenyl]benzoic acid",NA,"C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4C(=O)O)OC2=O","WIYJWPWFGIPHDU-UHFFFAOYSA-N",359687,NA,"PDBC18021","621102","Present",NA,NA
+"18022","2-[[2-Propynyl(3,4-difluorophenyl)amino]methyl]-3-phenyl-7-t rfluoromethylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-propynyl(3,4-difluorophenyl)amino]methyl]-3-phenyl...",NA,"C#CCN(CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CC=C3)C4=CC(=C(C=C4)F)F","PTQXBFWOZPBDTQ-UHFFFAOYSA-N",24202946,NA,"PDBC18022","726319","Present",NA,NA
+"18023","2-[[2-Propynyl(4-fluorophenyl)amino]methyl]-3-phenyl-7-trifl uoromethylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-propynyl(4-fluorophenyl)amino]methyl]-3-phenyl-7-t...",NA,"C#CCN(CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CC=C3)C4=CC=C(C=C4)F","BPMOKQUHTNKXGX-UHFFFAOYSA-N",24202947,NA,"PDBC18023","726320","Present",NA,NA
+"18024","2-[[2-Propynyl(4-methylphenyl)amino]methyl]-3-phenyl-7-trifl uoromethylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-propynyl(4-methylphenyl)amino]methyl]-3-phenyl-7-t...",NA,"CC1=CC=C(C=C1)N(CC#C)CC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","KAZMSSGLBPOWAP-UHFFFAOYSA-N",24203165,NA,"PDBC18024","727023","Present",NA,NA
+"18025","2-[[2-Propynyl(4-trifluoromethoxyphenyl)amino]methyl]3-pheny l-7-trifluoromethylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-propynyl(4-trifluoromethoxyphenyl)amino]methyl]3-p...",NA,"C#CCN(CC1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1C3=CC=CC=C3)C4=CC=C(C=C4)OC(F)(F)F","TUTFVRKGYHJIRO-UHFFFAOYSA-N",24203167,NA,"PDBC18025","727025","Present",NA,NA
+"18026","2-[[2-[(2-Aminoethyldisulfanyl)methyl]phenyl]methyldisulfanyl]ethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[(2-Aminoethyldisulfanyl)methyl]phenyl]methyldisulfanyl]ethanamine;hydrochloride",NA,"C1=CC=C(C(=C1)CSSCCN)CSSCCN.Cl","PHKULCLLRFYKSK-UHFFFAOYSA-N",361207,NA,"PDBC18026","624169","Present",NA,NA
+"18027","2-[[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetyl]amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetyl]amino]acetic acid",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCC(=O)NCC(=O)O","KRXKMAGQYJHGLY-HKOYGPOVSA-N",135436305,NA,"PDBC18027","717858","Present",NA,NA
+"18028","2-[[2-[10,15,20-Tris[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[10,15,20-Tris[2-[(1,3-dioxoisoindol-2-yl)methyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methyl]isoindole-1,3-dione",NA,"C1=CC=C(C(=C1)CN2C(=O)C3=CC=CC=C3C2=O)C4=C5C=CC(=C(C6=NC(=C(C7=CC=C(N7)C(=C8C=CC4=N8)C9=CC=CC=C9CN1C(=O)C2=CC=CC=C2C1=O)C1=CC=CC=C1CN1C(=O)C2=CC=CC=C2C1=O)C=C6)C1=CC=CC=C1CN1C(=O)C2=CC=CC=C2C1=O)N5","VYAXVOPMPBXIPS-UHFFFAOYSA-N",16129777,NA,"PDBC18028","653140","Present",NA,NA
+"18029","2-[[2-[2-(2-Methoxyethoxy)ethoxymethyl]-3-(quinolin-2-ylmethyl)benzimidazol-1-ium-1-yl]methyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(2-methoxyethoxy)ethoxy)methyl)-1,3-bis(quinolin-2...",NA,"COCCOCCOCC1=[N+](C2=CC=CC=C2N1CC3=NC4=CC=CC=C4C=C3)CC5=NC6=CC=CC=C6C=C5","WUGCZOYITNTCTJ-UHFFFAOYSA-N",134155123,NA,"PDBC18029","791492","Present",NA,NA
+"18030","2-[[2-[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-[3-[(1-nitro-9,10-dihydroacridin-9-yl)amino]propyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[2-[3-Acetamido-5-hydroxy-6-(hydroxymethyl)-2-methyl-2-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-[3-[(1-nitro-9,10-dihydroacridin-9-yl)amino]propyl]pentanediamide",NA,"CC(C)C(C(=O)NC(CCC(=O)NCCCNC1C2=CC=CC=C2NC3=C1C(=CC=C3)[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4NC(=O)C)(C)OCC5=CC=CC=C5)CO)O","RXBMMXAOWQSXDK-UHFFFAOYSA-N",388676,NA,"PDBC18030","683694","Present",NA,NA
+"18031","2-[[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)pentanediamide",NA,"CC(C)C(C(=O)NC(CCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2)C(=O)N)NC(=O)C(C)OC5C(C(OC(C5O)CO)OCC6=CC=CC=C6)NC(=O)C","PKJIRCHLRJQWRE-UHFFFAOYSA-N",6712903,NA,"PDBC18031","719483","Present",NA,NA
+"18032","2-[[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-[4-oxo-4-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]butyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]-3-methylbutanoyl]amino]-N'-[4-oxo-4-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]butyl]pentanediamid",NA,"CC(C)C(C(=O)NC(CCC(=O)NCCCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2)C(=O)N)NC(=O)C(C)OC5C(C(OC(C5O)CO)OCC6=CC=CC=C6)NC(=O)C","ANGLYMSGPVXRBY-UHFFFAOYSA-N",6712906,NA,"PDBC18032","719486","Present",NA,NA
+"18033","2-[[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[4-[(E)-2-Chloro-1,2-diphenylethenyl]phenoxy]ethyl]amino]ethanol",NA,"C1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=C(C=C3)OCCNCCO","OUGZFJVFHAPYBT-WCWDXBQESA-N",5466853,NA,"PDBC18033","644607","Present",NA,NA
+"18034","2-[[2-[4-[[5-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylcarbamoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]phenyl]acetyl]amino]-3-phenylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[4-[[5-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylcarbamoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]phenyl]acetyl]amino]",NA,"CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)NC5=CC=C(C=C5)CC(=O)NC(CC6=CC=CC=C6)C(=O)O","IBEYRHVEBRMCGV-UHFFFAOYSA-N",45028434,NA,"PDBC18034","742848","Present",NA,NA
+"18035","2-[[2-[Bis(carboxymethyl)amino]cyclohexyl]-[2-[2-(tert-butoxycarbonylamino)ethylamino]-2-oxo-ethyl]amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[Bis(carboxymethyl)amino]cyclohexyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-2-oxoethyl]amino]acetic acid",NA,"CC(C)(C)OC(=O)NCCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O","YYXCSLKNROHMQR-UHFFFAOYSA-N",384575,NA,"PDBC18035","674589","Present",NA,NA
+"18036","2-[[2-[Bis(pyridin-2-ylmethyl)amino]ethylamino]methyl]-4,6-diiodophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((2-(bis(pyridin-2-ylmethyl)amino)ethyl)amino)methyl)...",NA,"C1=CC=NC(=C1)CN(CCNCC2=C(C(=CC(=C2)I)I)O)CC3=CC=CC=N3","ZTACZNMMGCLSPS-UHFFFAOYSA-N",155809200,NA,"PDBC18036","788647","Present",NA,NA
+"18037","2-[[2-[[2-(Tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655093///NSC655098",NA,"CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)O)NC(=O)OC(C)(C)C","BQVNTZFDEBONBA-UHFFFAOYSA-N",375407,NA,"PDBC18037","655093///655098","Present",NA,NA
+"18038","2-[[2-[[2-Amino-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-Amino-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoic acid",NA,"CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)N)OC(C)(C)C","FGYNNLAYZOIOEC-UHFFFAOYSA-N",383839,NA,"PDBC18038","672455","Present",NA,NA
+"18039","2-[[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]-3-methylbutanoyl]amino]-N'-[6-oxo-6-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]hexyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-[5-Acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]-3-methylbutanoyl]amino]-N'-[6-oxo-6-[(12-oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)amino]hexyl]pentanediamide",NA,"CC(C)C(C(=O)NC(CCC(=O)NCCCCCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2)C(=O)N)NC(=O)COC5C(C(OC(C5O)CO)OCC6=CC=CC=C6)NC(=O)C","FBTQLKLTKWNSBS-UHFFFAOYSA-N",6712902,NA,"PDBC18039","719482","Present",NA,NA
+"18040","2-[[2-[[2-[[10,32-Bis(4-aminobutyl)-23-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-29-(1-hydroxyethyl)-35-(hydroxymethyl)-38-[(4-hydroxyphenyl)methyl]-26-(1H-indol-3-ylmethyl)-2,8,11,17,24,27,30,33,36,39-decaoxo-21-thia-3,9,12,18,25,28,31,34,37,40-decazatetracyclo[38.3.0.03,7.012,16]tritetracontane-19-carbonyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-[[10,32-Bis(4-aminobutyl)-23-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-29-(1-hydroxyethyl)-35-(hydro",NA,"CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(=O)NC1CSCC(NC(=O)C2CCCN2C(=O)C(NC(=O)C3CCCN3C(=O)C4CCCN4C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC5=CNC6=CC=CC=C65)C(C)O)CCCCN)CO)CC7=CC=C(C=C7)O)CCCCN)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)O)N","IABULDZGZSPOQD-UHFFFAOYSA-N",16129934,NA,"PDBC18040","707761","Present",NA,NA
+"18041","2-[[2-[[2-[[2-(Tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655095///NSC655099",NA,"CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)O)NC(=O)OC(C)(C)C","MMXJFHDITMPJIO-UHFFFAOYSA-N",375409,NA,"PDBC18041","655095///655099","Present",NA,NA
+"18042","2-[[2-[[2-[[2-[[1-[3-[(2-Amino-3-methylpentanoyl)amino]-4-methylhexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-N-[1-[[1-[(1,6-diamino-1-oxohexan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]butanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-[[2-[[1-[3-[(2-Amino-3-methylpentanoyl)amino]-4-methylhexanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-N-[1-[[1-[(1,6-diamino-1-oxohexan-2",NA,"CCC(C)C(CC(=O)N1CCCC1C(=O)NC(C(C)CC)C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(C(C)CC)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(C(C)CC)N","GIXFGUJGVKXECN-UHFFFAOYSA-N",398173,NA,"PDBC18042","707765","Present",NA,NA
+"18043","2-[[2-[[2-[[2-[[2-(Benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-[[3-(1H-Indol-3-yl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoyl]",NA,"CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)OC(C)(C)C","SQLOCBKJJCGYMB-UHFFFAOYSA-N",383872,NA,"PDBC18043","672652","Present",NA,NA
+"18044","2-[[2-[[2-[[2-[[2-Amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-[[2-[[2-Amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid",NA,"CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)N","VVFXBDIGTHAPIK-UHFFFAOYSA-N",404275,NA,"PDBC18044","720458","Present",NA,NA
+"18045","2-[[2-[[2-[[2-[[2-[(2-Acetamido-5-tert-butoxy-5-oxo-pentanoyl)amino]-5-tert-butoxy-5-oxo-pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-[[2-[[2-[[2-Acetamido-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbo",NA,"CC(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)O","HGJQUSGNUFJKFR-UHFFFAOYSA-N",383871,NA,"PDBC18045","672651","Present",NA,NA
+"18046","2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino",NA,"C1=CC=C(C=C1)COC(=O)NCC(=O)NCCCCC(C(=O)NC(CCCCNC(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)CNC(=O)OCC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)CNC(=O)OCC4=CC=CC=C4)C(=O)NC(CCCCNC(=O)CNC(=O)OCC5=CC=CC=C5)C(=O)NC(CCCCNC(=O)CNC(=O)OCC6=CC=CC=C6)C(=O)O)N","LVGVGNQPMSCNBX-UHFFFAOYSA-N",16129790,NA,"PDBC18046","668436","Present",NA,NA
+"18047","2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexanoyl]amino]-6-[[3-phenyl-2-(phenyl",NA,"C1=CC=C(C=C1)CC(C(=O)NCCCCC(C(=O)NC(CCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)C(CC4=CC=CC=C4)NC(=O)OCC5=CC=CC=C5)C(=O)NC(CCCCNC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)C(=O)NC(CCCCNC(=O)C(CC8=CC=CC=C8)NC(=O)OCC9=CC=CC=C9)C(=O)NC(CCCCNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC1=CC=CC=C1)C(=O)O)N)NC(=O)OCC1=CC=CC=C1","UFEYEEGFMOUBLV-UHFFFAOYSA-N",16129791,NA,"PDBC18047","668437","Present",NA,NA
+"18048","2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-[[2-[[2-[[2-Amino-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]hexanoyl]amino]-6-[[4-methyl-2-(phenyl",NA,"CC(C)CC(C(=O)NCCCCC(C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC4=CC=CC=C4)C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC5=CC=CC=C5)C(=O)O)N)NC(=O)OCC6=CC=CC=C6","IVFFBUYTAUPDCO-UHFFFAOYSA-N",16129794,NA,"PDBC18048","668446","Present",NA,NA
+"18049","2-[[2-[[5-Amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-naphthalen-2-ylpropyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[5-Amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-naphthalen-2-ylpropyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid",NA,"CC(C)CC(C(=O)NC(CC1=CC2=CC=CC=C2C=C1)CNC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)N","NYPWYTKHELZEFC-UHFFFAOYSA-N",403792,NA,"PDBC18049","719303","Present",NA,NA
+"18050","2-[[24-(2-Hydroxyethylimino)-9-heptacyclo[15.13.0.02,16.03,8.010,15.018,23.025,30]triaconta-3,5,7,10,12,14,18,20,22,25,27,29-dodecaenylidene]amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[24-(2-Hydroxyethylimino)-9-heptacyclo[15.13.0.02,16.03,8.010,15.018,23.025,30]triaconta-3,5,7,10,12,14,18,20,22,25,27,29-dodecaenylidene]amino]ethanol",NA,"C1=CC=C2C(=C1)C3C(C4C3C5=CC=CC=C5C(=NCCO)C6=CC=CC=C46)C7=CC=CC=C7C2=NCCO","DVPXVAYQCHATEP-UHFFFAOYSA-N",382515,NA,"PDBC18050","670124","Present",NA,NA
+"18051","2-[[3,7-Diammi no quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3,5-(dimethoxy)phenoxy]amminomethyl]-3-phenyl-5,7-di...",NA,"COC1=CC(=CC(=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N)OC","OTGVAFMQBNEXER-UHFFFAOYSA-N",404587,NA,"PDBC18051","720936","Present",NA,NA
+"18052","2-[[3-(3-Bromophenyl)quinoxalin-2-yl]methyl]-4-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[3-(3-Bromophenyl)quinoxalin-2-yl]methyl}-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)CC2=NC3=CC=CC=C3N=C2C4=CC(=CC=C4)Br","ILCFJGMKNNNZAE-UHFFFAOYSA-N",403654,NA,"PDBC18052","718722","Present",NA,NA
+"18053","2-[[3-(4-Chlorophenyl)-3-methyl-2H-isoindol-1-ylidene]amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-(4-Chlorophenyl)-3-methyl-2H-isoindol-1-ylidene]amino]ethanol",NA,"CC1(C2=CC=CC=C2C(=NCCO)N1)C3=CC=C(C=C3)Cl","BTXODMFYERUALL-UHFFFAOYSA-N",135426706,NA,"PDBC18053","710121","Present",NA,NA
+"18054","2-[[3-(Azocan-1-yl)propyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-(Azocan-1-yl)propyl-methylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCCN2CCCCCCC2)I.Cl","VNYGCPHOMBIXEB-UHFFFAOYSA-N",45028533,NA,"PDBC18054","743073","Present",NA,NA
+"18055","2-[[3-(Carboxymethylsulfanyl)-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-4-yl]amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-(Carboxymethylsulfanyl)-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-4-yl]amino]acetic acid",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC3=NN=C(N(C3=O)NCC(=O)O)SCC(=O)O)O","GSDKSQIJQVXAFB-VOTSOKGWSA-N",135436156,NA,"PDBC18055","710580","Present",NA,NA
+"18056","2-[[3-(Dimethylamino)propyl-ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-(Dimethylamino)propyl-ethylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,"CCN(CCCN(C)C)CC1=C(C(=CC(=C1)I)C)O.Cl","KYPIUAZTIUBVRW-UHFFFAOYSA-N",45028529,NA,"PDBC18056","743071","Present",NA,NA
+"18057","2-[[3-(Dimethylamino)propyl-propan-2-ylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-(Dimethylamino)propyl-propan-2-ylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(CCCN(C)C)C(C)C)I.Cl","NZQSJTZEQQLWQO-UHFFFAOYSA-N",45028517,NA,"PDBC18057","743065","Present",NA,NA
+"18058","2-[[3-(Dipropylamino)propylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-(Dipropylamino)propylamino]methyl]-4-iodo-6-methylphenol;hydrochloride",NA,"CCCN(CCC)CCCNCC1=C(C(=CC(=C1)I)C)O.Cl","FYKNDMQDUNRXRO-UHFFFAOYSA-N",45028531,NA,"PDBC18058","743072","Present",NA,NA
+"18059","2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1,3-diphenylpropane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-1,3-diphenylpropane-1,3-dione",NA,"C1CN(C(=S)N1C=C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CO4","WAAOKSVZOBDCTF-UHFFFAOYSA-N",24203794,NA,"PDBC18059","729526","Present",NA,NA
+"18060","2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]propanedinitrile",NA,"C1CN(C(=S)N1C=C(C#N)C#N)C(=O)C2=CC=CO2","CLGWIGVBGZMMMS-UHFFFAOYSA-N",24203788,NA,"PDBC18060","729520","Present",NA,NA
+"18061","2-[[3-(Naphthalen-2-ylmethyl)-2-phenylimidazol-3-ium-1-yl]methyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(naphthalen-2-ylmethyl)-2-phenyl-3-(quinolin-2-ylmethy...",NA,"C1=CC=C(C=C1)C2=[N+](C=CN2CC3=NC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","IPALUFMJIYWTLT-UHFFFAOYSA-N",134155119,NA,"PDBC18061","793141","Present",NA,NA
+"18062","2-[[3-(Naphthalen-2-ylmethyl)-2-propylimidazol-3-ium-1-yl]methyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(naphthalen-2-ylmethyl)-2-propyl-3-(quinolin-2-ylmethy...",NA,"CCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","DSXYLZRGZZTCDL-UHFFFAOYSA-N",134157887,NA,"PDBC18062","791103","Present",NA,NA
+"18063","2-[[3-(Naphthalen-2-ylmethyl)imidazol-3-ium-1-yl]methyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(naphthalen-2-ylmethyl)-1-(quinolin-2-ylmethyl)imidazo...///1-(naphthalen-2-ylmethyl)-3-(quinolin-2-ylmethyl)imidazo...",NA,"C1=CC=C2C=C(C=CC2=C1)C[N+]3=CN(C=C3)CC4=NC5=CC=CC=C5C=C4","FLFBEMUWQLCOOU-UHFFFAOYSA-N",155815196,NA,"PDBC18063","788915///793142","Present",NA,NA
+"18064","2-[[3-(Oxiran-2-ylmethoxy)naphthalen-2-yl]oxymethyl]oxirane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxirane, 2,2'-[2,3-naphthalendiylbis(oxymethylene)]bis-",NA,"C1C(O1)COC2=CC3=CC=CC=C3C=C2OCC4CO4","MPYZUNNAXVBHDC-UHFFFAOYSA-N",332711,NA,"PDBC18064","331269","Present",NA,NA
+"18065","2-[[3-Benzyloxy-2-[[2-[[5-benzyloxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]propanoyl]amino]-3-phenyl-propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[4-Methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]pentanoyl]amino]-3-phenylmethoxypropanoyl]amino]-3-phenylpropanoic acid",NA,"CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(CCC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C","FGNLDYJYAYNVTG-UHFFFAOYSA-N",381809,NA,"PDBC18065","668883","Present",NA,NA
+"18066","2-[[3-Cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile",NA,"CC1(CC2=C(C(C(=C(N2)SSC3=C(C(C4=C(N3)CC(CC4=O)(C)C)C5=CC=C(C=C5)F)C#N)C#N)C6=CC=C(C=C6)F)C(=O)C1)C","OSBNGANCHOLRCB-UHFFFAOYSA-N",380527,NA,"PDBC18066","666140","Present",NA,NA
+"18067","2-[[3-Methoxy-4-[(E)-(4-nitrophenyl)azo]anilino]methyl]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[({3-Methoxy-4-[(E)-(4-nitrophenyl)diazenyl]phenyl}amino)methyl]propanedinitrile",NA,"COC1=C(C=CC(=C1)NCC(C#N)C#N)N=NC2=CC=C(C=C2)[N+](=O)[O-]","HECQUXRJYSHQBR-UHFFFAOYSA-N",367993,NA,"PDBC18067","638218","Present",NA,NA
+"18068","2-[[3-Methyl-1-(4-methylbenzoyl)-5-oxo-4H-pyrazol-4-yl]diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{(E)-[3-Methyl-1-(4-methylbenzoyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid",NA,"CC1=CC=C(C=C1)C(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=CC=C3C(=O)O","AUHYMQXXPORJMG-UHFFFAOYSA-N",362547,NA,"PDBC18068","626621","Present",NA,NA
+"18069","2-[[3-Nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanoyl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[3-Nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanoyl]amino}benzamide",NA,"C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","PABIZHZGHAGZJJ-UHFFFAOYSA-N",372916,NA,"PDBC18069","648628","Present",NA,NA
+"18070","2-[[3-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile",NA,"CCC(C#N)NCC1=CC(=CC=C1)CNC(CC)C#N","FBQZCYJHMOCMDJ-UHFFFAOYSA-N",387700,NA,"PDBC18070","681729","Present",NA,NA
+"18071","2-[[3-[(2-Hydroxy-3,5-dimethylphenyl)methylamino]propylamino]methyl]-4,6-dimethylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-[(2-Hydroxy-3,5-dimethylphenyl)methylamino]propylamino]methyl]-4,6-dimethylphenol;hydrochloride",NA,"CC1=CC(=C(C(=C1)CNCCCNCC2=CC(=CC(=C2O)C)C)O)C.Cl","QWCCCLFWEIEKDY-UHFFFAOYSA-N",24181853,NA,"PDBC18071","11966","Present",NA,NA
+"18072","2-[[3-[(2-Methylphenyl)carbamoyl]-2-oxochromen-6-yl]diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-[(2-Methylphenyl)carbamoyl]-2-oxochromen-6-yl]diazenyl]benzoic acid",NA,"CC1=CC=CC=C1NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4C(=O)O)OC2=O","CHBAPMADBCPJAX-UHFFFAOYSA-N",359688,NA,"PDBC18072","621103","Present",NA,NA
+"18073","2-[[3-[(4-Methylphenyl)carbamoyl]-2-oxochromen-6-yl]diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-[(4-Methylphenyl)carbamoyl]-2-oxochromen-6-yl]diazenyl]benzoic acid",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4C(=O)O)OC2=O","LWHNXCUTAPDBIO-UHFFFAOYSA-N",359689,NA,"PDBC18073","621104","Present",NA,NA
+"18074","2-[[3-[Bis(2-hydroxy-5-methyl-phenyl)methyl]phenyl]-(2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-[Bis(2-hydroxy-5-methylphenyl)methyl]phenyl]-(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)C(C2=CC(=CC=C2)C(C3=C(C=CC(=C3)C)O)C4=C(C=CC(=C4)C)O)C5=C(C=CC(=C5)C)O","PIZWRPDJPNNFRQ-UHFFFAOYSA-N",388293,NA,"PDBC18074","682934","Present",NA,NA
+"18075","2-[[3-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-[[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C(=CN=N3)CN4C(=O)NC(=O)C=N4)O","SJGIZVRSHOSUJA-UHFFFAOYSA-N",392011,NA,"PDBC18075","691810","Present",NA,NA
+"18076","2-[[3-[[Benzyl-[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]pyridin-1-ium-1-yl]methyl]-5-chlorobenzenesulfonyl fluoride;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[3-[[Benzyl-[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]pyridin-1-ium-1-yl]methyl]-5-chlorobenzenesulfonyl fluoride;bromide",NA,"C1=CC=C(C=C1)CN(CC2=C[N+](=CC=C2)CC3=C(C=C(C=C3)Cl)S(=O)(=O)F)C(=O)COC4=CC(=C(C=C4)Cl)Cl.[Br-]","JCWZMALYLXVOCY-UHFFFAOYSA-M",24196099,NA,"PDBC18076","210884","Present",NA,NA
+"18077","2-[[3-[[[Cyano(phenyl)methyl]amino]methyl]phenyl]methylamino]-2-phenylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-(1,3-phenylenebis(methylene))bis(azanediyl)bis(2-ph...",NA,"C1=CC=C(C=C1)C(C#N)NCC2=CC(=CC=C2)CNC(C#N)C3=CC=CC=C3","GDUKSZNPUNHGQE-UHFFFAOYSA-N",387701,NA,"PDBC18077","681730","Present",NA,NA
+"18078","2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide",NA,"COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NN=CC3=CC(=C(C=C3)O)OC)C4=CC=C(C=C4)OC","KPKODVBGEKAZLY-RWPZCVJISA-N",135436149,NA,"PDBC18078","710439","Present",NA,NA
+"18079","2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide",NA,"COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC","CHGFMAJACQYKOR-JFLMPSFJSA-N",9572297,NA,"PDBC18079","710441","Present",NA,NA
+"18080","2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4,5-Bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide",NA,"CN(C)C1=CC=C(C=C1)C=NNC(=O)CSC2=NC(=C(N2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","CLVPHTPTGBEWAB-STBIYBPSSA-N",9572296,NA,"PDBC18080","710440","Present",NA,NA
+"18081","2-[[4,6-Bis(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]-4,5-dihydro-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Tris(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine",NA,"C1CSC(=N1)SC2=NC(=NC(=N2)SC3=NCCS3)SC4=NCCS4","FGOCRTPTSNKWRK-UHFFFAOYSA-N",382074,NA,"PDBC18081","669391","Present",NA,NA
+"18082","2-[[4-(1,3-Benzothiazol-2-yl)-2-methoxyphenoxy]methyl]-10-methyl-[1,2,4]triazolo[1,5-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]methyl-10-...",NA,"CN1C2=CC=CC=C2S(=O)(=O)N3C1=NC(=N3)COC4=C(C=C(C=C4)C5=NC6=CC=CC=C6S5)OC","STRTZLYOQXDHIR-UHFFFAOYSA-N",24766464,NA,"PDBC18082","742364","Present",NA,NA
+"18083","2-[[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{(e)-[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl}propanedinitrile",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=NC(C#N)C#N","CUHBWQRUDZZJAX-UHFFFAOYSA-N",402458,NA,"PDBC18083","716429","Present",NA,NA
+"18084","2-[[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{(e)-[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl}propanedinitrile",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N=NC(C#N)C#N","UVWWBHOWBHERDQ-UHFFFAOYSA-N",401258,NA,"PDBC18084","714512","Present",NA,NA
+"18085","2-[[4-(1-Hydroxypropyl)phenyl]iminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(1-Hydroxypropyl)phenyl]iminomethyl]phenol",NA,"CCC(C1=CC=C(C=C1)N=CC2=CC=CC=C2O)O","LMYDDUSTKCNFEN-UHFFFAOYSA-N",395812,NA,"PDBC18085","700700","Present",NA,NA
+"18086","2-[[4-(1H-Benzimidazol-2-yl)anilino]diazenyl]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(1H-Benzimidazol-2-yl)anilino]diazenyl]pentanedioic acid",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NC(CCC(=O)O)C(=O)O","PTPDWQVPUIUAQE-UHFFFAOYSA-N",402062,NA,"PDBC18086","715758","Present",NA,NA
+"18087","2-[[4-(1H-Benzimidazol-2-yl)anilino]diazenyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(1H-Benzimidazol-2-yl)anilino]diazenyl]propanoic acid",NA,"CC(C(=O)O)N=NNC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2","VWEBBEXXPSZZBN-UHFFFAOYSA-N",402061,NA,"PDBC18087","715757","Present",NA,NA
+"18088","2-[[4-(1H-Benzimidazol-2-yl)phenyl]diazenyl]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{(e)-[4-(1h-Benzimidazol-2-yl)phenyl]diazenyl}propanedinitrile",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NC(C#N)C#N","CRAVFEIKYDYXPC-UHFFFAOYSA-N",402055,NA,"PDBC18088","715751","Present",NA,NA
+"18089","2-[[4-(1H-Benzimidazol-2-yl)phenyl]iminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(1H-Benzimidazol-2-yl)phenyl]iminomethyl]phenol",NA,"C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)O","BRJNPDFBMUALFN-UHFFFAOYSA-N",402059,NA,"PDBC18089","715755","Present",NA,NA
+"18090","2-[[4-(2-Benzhydryloxyethyl)piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(2-Benzhydryloxyethyl)piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid",NA,"COC1=CC2=C(C=C1)C(C(CC2)CN3CCN(CC3)CCOC(C4=CC=CC=C4)C5=CC=CC=C5)O.C(=CC(=O)O)C(=O)O","NQFPSSFISDNFNB-BTJKTKAUSA-N",5471958,NA,"PDBC18090","715593","Present",NA,NA
+"18091","2-[[4-(2-Bromoacetyl)-1,6-dimethyl-2-oxopyridin-3-yl]methyl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[4-(Bromoacetyl)-1,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl]methyl}-1h-isoindole-1,3(2h)-dione",NA,"CC1=CC(=C(C(=O)N1C)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)CBr","ZXQJUYHXMDUVBN-UHFFFAOYSA-N",288059,NA,"PDBC18091","148484","Present",NA,NA
+"18092","2-[[4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanoyl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)butanoyl]amino]benzamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC=CC=C4C(=O)N","RYEDXKOHIAQBOI-UHFFFAOYSA-N",370977,NA,"PDBC18092","644783","Present",NA,NA
+"18093","2-[[4-(3-Carboxyquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(3-Carboxyquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","OEYLBZNPROVCHX-UHFFFAOYSA-N",393701,NA,"PDBC18093","696135","Present",NA,NA
+"18094","2-[[4-(3-Phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(3-Phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioic acid",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O","GYOPUCSPJOSCLY-UHFFFAOYSA-N",390813,NA,"PDBC18094","688815","Present",NA,NA
+"18095","2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(Diethylamino)phenyl]-hydroxymethyl]naphthalene-1,4-dione",NA,"CCN(CC)C1=CC=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O","ITMUNRMIPBDJRP-UHFFFAOYSA-N",245920,NA,"PDBC18095","58338","Present",NA,NA
+"18096","2-[[4-(Methoxy)phenyl]amminomethyl]-3-phenyl-5,7-diammino quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(methoxy)phenyl]amminomethyl]-3-phenyl-5,7-diammin...",NA,"COC1=CC=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","WRDZBENXZQGZBQ-UHFFFAOYSA-N",405138,NA,"PDBC18096","722175","Present",NA,NA
+"18097","2-[[4-Amino-5-[8-[4-amino-5-[(1-hydroxy-2-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-Amino-5-[8-[4-amino-5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol",NA,"C1=CC=C2C(=C1)C=CC(=C2O)OCC3=NN=C(N3N)CCCCCCCCC4=NN=C(N4N)COC5=C(C6=CC=CC=C6C=C5)O","OIDAYCSNXVJXMP-UHFFFAOYSA-N",394044,NA,"PDBC18097","697162","Present",NA,NA
+"18098","2-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanyl]-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanyl]-7,8-dihydro-6H-imidazo[1,2-a][1,3,5]triazine-4-thione",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CSC3=NC(=S)N4CCNC4=N3","BWJYZHXZNCZGDT-UHFFFAOYSA-N",393953,NA,"PDBC18098","696925","Present",NA,NA
+"18099","2-[[4-Anilino-5-[8-[4-anilino-5-[(1-hydroxy-2-naphthyl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-Anilino-5-[8-[4-anilino-5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,2,4-triazol-3-yl]octyl]-1,2,4-triazol-3-yl]methoxy]naphthalen-1-ol",NA,"C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C4=CC=CC=C4C=C3)O)CCCCCCCCC5=NN=C(N5NC6=CC=CC=C6)COC7=C(C8=CC=CC=C8C=C7)O","UVKTWWXWFPPPED-UHFFFAOYSA-N",394049,NA,"PDBC18099","697167","Present",NA,NA
+"18100","2-[[4-[(1,3-Dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)methyl]piperazin-1-yl]methyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[(1,3-Dioxo-10,10a-dihydro-5H-imidazo[1,5-b]isoquinolin-2-yl)methyl]piperazin-1-yl]methyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione",NA,"C1CN(CCN1CN2C(=O)C3CC4=CC=CC=C4CN3C2=O)CN5C(=O)C6CC7=CC=CC=C7CN6C5=O","AGDXSBRQWSRVSZ-UHFFFAOYSA-N",371368,NA,"PDBC18100","645587","Present",NA,NA
+"18101","2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[(1-Cyanopropylamino)methyl]phenyl]methylamino]butanenitrile",NA,"CCC(C#N)NCC1=CC=C(C=C1)CNC(CC)C#N","RXHDPCPJBAUHQE-UHFFFAOYSA-N",387699,NA,"PDBC18101","681728","Present",NA,NA
+"18102","2-[[4-[(2,3-Dimethoxyquinoxalin-6-yl)methoxy]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[(2,3-Dimethoxyquinoxalin-6-yl)methoxy]benzoyl]amino]pentanedioic acid",NA,"COC1=NC2=C(C=C(C=C2)COC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)N=C1OC","QBKWTOQVYHOPMC-UHFFFAOYSA-N",379476,NA,"PDBC18102","664030","Present",NA,NA
+"18103","2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-di(tetradecyl)pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-di(tetradecyl)pentanediamide",NA,"CCCCCCCCCCCCCCNC(=O)CCC(C(=O)NCCCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","ZHWYGLJJVXABOK-UHFFFAOYSA-N",390191,NA,"PDBC18103","687352","Present",NA,NA
+"18104","2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-didodecylpentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-didodecylpentanediamide",NA,"CCCCCCCCCCCCNC(=O)CCC(C(=O)NCCCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","GEJHGYWJBHHFBZ-UHFFFAOYSA-N",387041,NA,"PDBC18104","680399","Present",NA,NA
+"18105","2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-dihexylpentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-N,N'-dihexylpentanediamide",NA,"CCCCCCNC(=O)CCC(C(=O)NCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","NJZDGXZUYWRFCD-UHFFFAOYSA-N",391379,NA,"PDBC18105","690436","Present",NA,NA
+"18106","2-[[4-[(2,4-Diaminopteridin-6-yl)methylamino]-3-fluoro-benzoyl]amino]pentanedioic acid; 2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl) methy...",NA,"C1=CC(=C(C=C1C(=O)NC(CCC(=O)O)C(=O)O)F)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N.C(=O)(C(F)(F)F)O","YWGTVZUAUGVIJQ-UHFFFAOYSA-N",354767,NA,"PDBC18106","607301","Present",NA,NA
+"18107","2-[[4-[(2-Amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]butanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Aspartic acid, N-[4-[[(2-amino-4-hydroxy-6-quinazoliny...",NA,"C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)N=C(NC3=O)N","NYOFFAWISINROH-UHFFFAOYSA-N",135443580,NA,"PDBC18107","173552","Present",NA,NA
+"18108","2-[[4-[(2-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[(2-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid",NA,"C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]","YBRGNQPHDKSWNM-UHFFFAOYSA-N",362705,NA,"PDBC18108","626944","Present",NA,NA
+"18109","2-[[4-[(3-Carboxybicyclo[2.2.1]hepta-2,5-diene-2-carbonyl)amino]phenyl]carbamoyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[(3-Carboxybicyclo[2.2.1]hepta-2,5-diene-2-carbonyl)amino]phenyl]carbamoyl]bicyclo[2.2.1]hepta-2,5-diene-2-carboxylic acid",NA,"C1C2C=CC1C(=C2C(=O)NC3=CC=C(C=C3)NC(=O)C4=C(C5CC4C=C5)C(=O)O)C(=O)O","WBDDDMQUUKAGOQ-UHFFFAOYSA-N",365377,NA,"PDBC18109","632985","Present",NA,NA
+"18110","2-[[4-[(3-Carboxyquinoxalin-2-yl)amino]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[(3-Carboxyquinoxalin-2-yl)amino]benzoyl]amino]pentanedioic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","JUIRKEQWLVRSKT-UHFFFAOYSA-N",382851,NA,"PDBC18110","670681","Present",NA,NA
+"18111","2-[[4-[(3-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[(3-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O","YJJUZWQDDTWIBL-UHFFFAOYSA-N",362704,NA,"PDBC18111","626943","Present",NA,NA
+"18112","2-[[4-[(4-Fluorobenzoyl)amino]phenyl]sulfonylamino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((4-((4-Fluorobenzoyl)amino)phenyl)sulfonyl)amino)acetic acid",NA,"C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)F","DYVNEIJURRERNJ-UHFFFAOYSA-N",362702,NA,"PDBC18112","626941","Present",NA,NA
+"18113","2-[[4-[(4-Methoxybenzoyl)amino]phenyl]sulfonylamino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((4-((4-Methoxybenzoyl)amino)phenyl)sulfonyl)amino)acetic acid",NA,"COC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O","PMAQPUYCCGEXKQ-UHFFFAOYSA-N",362700,NA,"PDBC18113","626939","Present",NA,NA
+"18114","2-[[4-[(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1{[(1-(2-hydroxyethoxy)methyl)-1,2,3-triazol-4-yl]methyl...",NA,"CSC1=NC=NC2=C1C=NN2CC3=CN(N=N3)COCCO","PSLFUBPRPFROCK-UHFFFAOYSA-N",399600,NA,"PDBC18114","710497","Present",NA,NA
+"18115","2-[[4-[(4-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[(4-Nitrobenzoyl)amino]phenyl]sulfonylamino]acetic acid",NA,"C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O)[N+](=O)[O-]","GXDKEGKOGQTQBK-UHFFFAOYSA-N",362703,NA,"PDBC18115","626942","Present",NA,NA
+"18116","2-[[4-[1-(1-Cyanoethylamino)ethyl]phenyl]methylamino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[1-(1-Cyanoethylamino)ethyl]phenyl]methylamino]propanenitrile",NA,"CC(C#N)NCC1=CC=C(C=C1)C(C)NC(C)C#N","YPZZPTIZBDAZSC-UHFFFAOYSA-N",387697,NA,"PDBC18116","681726","Present",NA,NA
+"18117","2-[[4-[2-(Dimethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[2-(Dimethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride",NA,"CN(C)CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4C2=O.[Cl-]","GSFQUULBCPGRMB-UHFFFAOYSA-N",388662,NA,"PDBC18117","683681","Present",NA,NA
+"18118","2-[[4-[2-(Dimethylamino)ethylcarbamoyl]-10-methylacridin-10-ium-9-yl]amino]-3-sulfanylpropanoic acid;methyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[2-(Dimethylamino)ethylcarbamoyl]-10-methylacridin-10-ium-9-yl]amino]-3-sulfanylpropanoic acid;methyl sulfate",NA,"C[N+]1=C2C(=C(C3=CC=CC=C31)NC(CS)C(=O)O)C=CC=C2C(=O)NCCN(C)C.COS(=O)(=O)[O-]","XOMLTVCREBXUNT-UHFFFAOYSA-N",393802,NA,"PDBC18118","696569","Present",NA,NA
+"18119","2-[[4-[2-(Dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-3-methylpentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-methyl-pentanoic acid",NA,"CCC(C)C(C(=O)O)NC1=C2C=CC=C(C2=NC3=CC=CC=C31)C(=O)NCCN(C)C","BNQAVSGRANMVFF-UHFFFAOYSA-N",392355,NA,"PDBC18119","692639","Present",NA,NA
+"18120","2-[[4-[2-(Dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-3-sulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-3-sulfanyl-propanoic acid",NA,"CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CS)C(=O)O","KAYAWVSZNLTGMJ-UHFFFAOYSA-N",392357,NA,"PDBC18120","692641","Present",NA,NA
+"18121","2-[[4-[2-(Dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]acetic acid",NA,"CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NCC(=O)O","AWWPLGLGEOZNMG-UHFFFAOYSA-N",392353,NA,"PDBC18121","692637","Present",NA,NA
+"18122","2-[[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid",NA,"C1CC2=CC=CC=C2C(C1CN3CCN(CC3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O.C(=CC(=O)O)C(=O)O","LDMXUAQNDZCTKE-BTJKTKAUSA-N",5471957,NA,"PDBC18122","715589","Present",NA,NA
+"18123","2-[[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]methyl]-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ol;(Z)-but-2-enedioic acid",NA,"COC1=CC2=C(C=C1)C(C(CC2)CN3CCN(CC3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O.C(=CC(=O)O)C(=O)O","KFLDZYVBWAXFFP-BTJKTKAUSA-N",5471960,NA,"PDBC18123","715595","Present",NA,NA
+"18124","2-[[4-[2-[Dimethyl-[(4-nitrophenyl)methyl]azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[2-[Dimethyl-[(4-nitrophenyl)methyl]azaniumyl]ethylamino]-5,8-dihydroxy-9,10-dioxoanthracen-1-yl]amino]ethyl-dimethyl-[(4-nitrophenyl)methyl]azanium;chloride",NA,"C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C2=O)O)O)CC5=CC=C(C=C5)[N+](=O)[O-].[Cl-]","SVIKEYKFSGZRGM-UHFFFAOYSA-O",388664,NA,"PDBC18124","683682","Present",NA,NA
+"18125","2-[[4-[Bis(2-bromopropyl)amino]-2-tolyl]azo]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-[[4-[bis(2-bromopropyl)amino]-2-methylph...",NA,"CC1=C(C=CC(=C1)N(CC(C)Br)CC(C)Br)N=NC2=CC=CC=C2C(=O)O","IUBPTOPNFAZJQA-UHFFFAOYSA-N",38312,NA,"PDBC18125","240419","Present",NA,NA
+"18126","2-[[4-[Bis(2-hydroxy-5-methyl-phenyl)methyl]phenyl]-(2-hydroxy-5-methyl-phenyl)methyl]-4-methyl-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[Bis(2-hydroxy-5-methylphenyl)methyl]phenyl]-(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol",NA,"CC1=CC(=C(C=C1)O)C(C2=CC=C(C=C2)C(C3=C(C=CC(=C3)C)O)C4=C(C=CC(=C4)C)O)C5=C(C=CC(=C5)C)O","LRZZZRWDFFQQGR-UHFFFAOYSA-N",388294,NA,"PDBC18126","682935","Present",NA,NA
+"18127","2-[[4-[[(2,3-Dimethoxyquinoxaline-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[[(2,3-Dimethoxyquinoxaline-6-yl)methyl]amino]benzoyl]amino]pentanedioic acid",NA,"COC1=NC2=C(C=C(C=C2)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)N=C1OC","TXLRWYKHRCXMMP-UHFFFAOYSA-N",380464,NA,"PDBC18127","666060","Present",NA,NA
+"18128","2-[[4-[[(2-Amino-4-oxo-3H-quinazolin-6-yl)amino]methyl]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo- 6-qu...",NA,"C1=CC(=CC=C1CNC2=CC3=C(C=C2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","MXBUWHDMZGKTHK-UHFFFAOYSA-N",135488820,NA,"PDBC18128","289517","Present",NA,NA
+"18129","2-[[4-[[(3-Carboxyquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[[(3-Carboxyquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","KTSGGWXJZLGWHK-UHFFFAOYSA-N",390809,NA,"PDBC18129","688811","Present",NA,NA
+"18130","2-[[4-[[3-Carboxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[[3-Carboxy-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,"C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O","QRESJFSMNUVOBN-UHFFFAOYSA-N",387376,NA,"PDBC18130","681128","Present",NA,NA
+"18131","2-[[4-[[3-Carboxy-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[[3-Carboxy-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,"C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","XVAXMBMHVWFMKJ-UHFFFAOYSA-N",387138,NA,"PDBC18131","680554","Present",NA,NA
+"18132","2-[[4-[[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O","DSIDFXWFPQEJGN-UHFFFAOYSA-N",362965,NA,"PDBC18132","627456","Present",NA,NA
+"18133","2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O","QKEWUYZUXTWZJS-UHFFFAOYSA-N",362963,NA,"PDBC18133","627454","Present",NA,NA
+"18134","2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioic acid",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O","QLJSZTKOLSCUCR-UHFFFAOYSA-N",390815,NA,"PDBC18134","688817","Present",NA,NA
+"18135","2-[[4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,"C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","MKUBWWUWCKDOCT-UHFFFAOYSA-N",362964,NA,"PDBC18135","627455","Present",NA,NA
+"18136","2-[[4-[[7-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[[7-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioic acid",NA,"C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F","JEHXUBMCFSZBMA-UHFFFAOYSA-N",389672,NA,"PDBC18136","686049","Present",NA,NA
+"18137","2-[[4-[[[3-Carboxy-7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]benzoyl]amino]pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-[[[3-Carboxy-7-(trifluoromethyl)quinoxalin-2-yl]amino]methyl]benzoyl]amino]pentanedioic acid",NA,"C1=CC(=CC=C1CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)C(=O)NC(CCC(=O)O)C(=O)O","BZUKCYDBVVLSEX-UHFFFAOYSA-N",390811,NA,"PDBC18137","688813","Present",NA,NA
+"18138","2-[[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5,7-Bis(trifluoromethyl)-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol",NA,"C1=CC(=NC2=C1C(=CC(=N2)C(F)(F)F)C(F)(F)F)N(CCO)CCO","KPDWMOLONYWOKN-UHFFFAOYSA-N",390341,NA,"PDBC18138","687677","Present",NA,NA
+"18139","2-[[5-(2,5-Dihydroxyphenyl)sulfanyl-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((5-((2,5-Dihydroxyphenyl)thio)-1,3,4-thiadiazol-2-yl)thio)methyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,"CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NN=C(S3)SC4=C(C=CC(=C4)O)O","NWPHHSVSOSBNFK-UHFFFAOYSA-N",385800,NA,"PDBC18139","677194","Present",NA,NA
+"18140","2-[[5-(3,4-Dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(3,4-Dimethoxyphenyl)-4-phenyl-4H-[1,2,4]triazol-3-...",NA,"COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C(=O)C=CC5=CC(=C(C(=C5)OC)OC)OC)OC","SWUMIYIRJYQMFX-GZTJUZNOSA-N",155814763,NA,"PDBC18140","767769","Present",NA,NA
+"18141","2-[[5-(3,4-Dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z/E)-2-((5-(3,4-dimethoxyphenyl)-4-phenyl-4H-1,2,4-tria...",NA,"CC(=NO)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC","YHINFONOTQPRMK-LQNQUEJISA-N",76900353,NA,"PDBC18141","764032","Present",NA,NA
+"18142","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-chlorophenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3Cl","ZGKKUJRZJJVCND-UHFFFAOYSA-N",375277,NA,"PDBC18142","654794","Present",NA,NA
+"18143","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-nitrophenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]","HCZMSTACRZIMIV-UHFFFAOYSA-N",375270,NA,"PDBC18143","654787","Present",NA,NA
+"18144","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-chlorophenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)Cl","PNBZECRTPVGDKP-UHFFFAOYSA-N",375278,NA,"PDBC18144","654795","Present",NA,NA
+"18145","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(3-nitrophenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","XEVHPUJPPIXGEM-UHFFFAOYSA-N",375269,NA,"PDBC18145","654786","Present",NA,NA
+"18146","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-chlorophenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)Cl","UWKWKKDQMMTBNU-UHFFFAOYSA-N",375279,NA,"PDBC18146","654796","Present",NA,NA
+"18147","2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-(4-Acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-nitrophenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","YEHYNBIZHYRJDP-UHFFFAOYSA-N",375268,NA,"PDBC18147","654785","Present",NA,NA
+"18148","2-[[5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl]-1-cyano-3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl]methyl]-1-cyano-3-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]guanidine",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)NC(=NCC3C(CC(O3)N4C=NC5=C(N=CN=C54)N)O)NC#N","KXROBYBHRIGHBR-UHFFFAOYSA-N",381006,NA,"PDBC18148","666991","Present",NA,NA
+"18149","2-[[5-Methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-Methoxy-2-(4-methoxyphenyl)-1H-indol-3-yl]methylidene]propanedinitrile",NA,"COC1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)OC)C=C(C#N)C#N","QFOWLDPQDYHOIU-UHFFFAOYSA-N",44435255,NA,"PDBC18149","749028","Present",NA,NA
+"18150","2-[[5-Methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-Methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl benzoate",NA,"CC1=CN(C2=C1C(=NC(=N2)SC)SC)COCCOC(=O)C3=CC=CC=C3","KLFHKIZIRXTQMD-UHFFFAOYSA-N",357481,NA,"PDBC18150","616510","Present",NA,NA
+"18151","2-[[5-[(4-Chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[(4-Chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid",NA,"C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=C(C=C3)Cl","PLFYTBZBUVIOJM-UHFFFAOYSA-N",395270,NA,"PDBC18151","699748","Present",NA,NA
+"18152","2-[[5-[8-[5-(2,5-Dihydroxyphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[8-[5-(2,5-dihydroxyphenyl)sulfanyl-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]benzene-1,4-diol",NA,"C1=CC(=C(C=C1O)SC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)SC4=C(C=CC(=C4)O)O)O","XFLZRSKHXHXXRV-UHFFFAOYSA-N",394056,NA,"PDBC18152","697174","Present",NA,NA
+"18153","2-[[5-[8-[5-(2-Hydrazinyl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[8-[5-(2-Hydrazinyl-2-oxoethyl)sulfanyl-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetohydrazide",NA,"C(CCCCC1=NN=C(O1)SCC(=O)NN)CCCC2=NN=C(O2)SCC(=O)NN","KFENPKJYLXBDPV-UHFFFAOYSA-N",394066,NA,"PDBC18153","697184","Present",NA,NA
+"18154","2-[[5-[8-[5-(Carboxymethylsulfanyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[8-[5-(carboxymethylsulfanyl)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetic acid",NA,"C(CCCCC1=NN=C(O1)SCC(=O)O)CCCC2=NN=C(O2)SCC(=O)O","FYHNGIZFBADSBW-UHFFFAOYSA-N",394067,NA,"PDBC18154","697185","Present",NA,NA
+"18155","2-[[5-[8-[5-[(1-Hydroxynaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[5-[8-[5-[(1-hydroxynaphthalen-2-yl)oxymethyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methoxy]naphthalen-1-ol",NA,"C1=CC=C2C(=C1)C=CC(=C2O)OCC3=NN=C(O3)CCCCCCCCC4=NN=C(O4)COC5=C(C6=CC=CC=C6C=C5)O","OCKVEYOSIIGNBI-UHFFFAOYSA-N",394039,NA,"PDBC18155","697157","Present",NA,NA
+"18156","2-[[6-(Carboxymethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[6-(Carboxymethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]acetic acid",NA,"CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3O2)C(=O)NCC(=O)O)C)C(=O)NCC(=O)O","SVAAASCIDOTRJA-UHFFFAOYSA-N",388808,NA,"PDBC18156","683895","Present",NA,NA
+"18157","2-[[6-Amino-2-(4-butylanilino)purin-9-yl]methoxy]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[6-Amino-2-(4-butylanilino)purin-9-yl]methoxy]ethanol",NA,"CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N(C=N3)COCCO)N","LWHJUZIIFMASRI-UHFFFAOYSA-N",387677,NA,"PDBC18157","681702","Present",NA,NA
+"18158","2-[[6-[(2-Hydroxy-3,5-dimethylphenyl)methylamino]hexylamino]methyl]-4,6-dimethylphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[6-[(2-Hydroxy-3,5-dimethylphenyl)methylamino]hexylamino]methyl]-4,6-dimethylphenol;hydrochloride",NA,"CC1=CC(=C(C(=C1)CNCCCCCCNCC2=CC(=CC(=C2O)C)C)O)C.Cl","CLVPCMNSRSRGJN-UHFFFAOYSA-N",24181852,NA,"PDBC18158","11965","Present",NA,NA
+"18159","2-[[6-[(4-Methoxyphenyl)methyl]-1,3-benzodioxol-5-yl]oxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[6-[(4-Methoxyphenyl)methyl]-1,3-benzodioxol-5-yl]oxy]acetic acid",NA,"COC1=CC=C(C=C1)CC2=CC3=C(C=C2OCC(=O)O)OCO3","HQWDQEWHRRLWID-UHFFFAOYSA-N",336345,NA,"PDBC18159","350111","Present",NA,NA
+"18160","2-[[6-[1-(3,4,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl]oxy]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[[6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-ben...",NA,"CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCO)OCO3","KCQPASVCUVLGJW-UHFFFAOYSA-N",336892,NA,"PDBC18160","352876","Present",NA,NA
+"18161","2-[[6-[Bis(cyanomethyl)amino]cyclohex-3-en-1-yl]-(cyanomethyl)amino]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile, 2,2',2'',2'''-(4-cyclohexene-1,2-diyldinitrilo)tetrakis-",NA,"C1C=CCC(C1N(CC#N)CC#N)N(CC#N)CC#N","XYBAHGCPZMKFDG-UHFFFAOYSA-N",384589,NA,"PDBC18161","674602","Present",NA,NA
+"18162","2-[[6-[[Bis(carboxymethyl)amino]methyl]-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]-2-pyridyl]methyl-(carboxymethyl)amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[6-[[Bis(carboxymethyl)amino]methyl]-4-[2-[4-(2-phenylethynyl)phenyl]ethynyl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid",NA,"C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC(=NC(=C3)CN(CC(=O)O)CC(=O)O)CN(CC(=O)O)CC(=O)O","RZYIIRHQXGLACC-UHFFFAOYSA-N",369524,NA,"PDBC18162","641379","Present",NA,NA
+"18163","2-[[7-(Benzylamino)-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-6-yl]amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[7-(Benzylamino)-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-6-yl]amino}ethanol",NA,"C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)NCCO)N5CCNCC5","PPEZZSQRYRYFMC-UHFFFAOYSA-N",403202,NA,"PDBC18163","717857","Present",NA,NA
+"18164","2-[[7-[Bis(2-hydroxyethyl)amino]-5-phenyl-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[7-[Bis(2-hydroxyethyl)amino]-5-phenyl-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol",NA,"C1=CC=C(C=C1)C2=CC(=NC3=C2C=CC(=N3)N(CCO)CCO)N(CCO)CCO","DPIBINRWZWNWNA-UHFFFAOYSA-N",388902,NA,"PDBC18164","684134","Present",NA,NA
+"18165","2-[[7-[Bis(2-hydroxyethyl)amino]-6-nitro-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[7-[Bis(2-hydroxyethyl)amino]-6-nitro-1,8-naphthyridin-2-yl]-(2-hydroxyethyl)amino]ethanol",NA,"C1=CC(=NC2=NC(=C(C=C21)[N+](=O)[O-])N(CCO)CCO)N(CCO)CCO","KNSXNPCJBHAEPL-UHFFFAOYSA-N",390342,NA,"PDBC18165","687678","Present",NA,NA
+"18166","2-[[9-(4-Methoxyphenyl)purin-6-yl]amino]-2-methyl-propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[9-(4-Methoxyphenyl)purin-6-yl]amino]-2-methyl-propanoic acid",NA,"CC(C)(C(=O)O)NC1=C2C(=NC=N1)N(C=N2)C3=CC=C(C=C3)OC","XSEFNDFMFFGKKF-UHFFFAOYSA-N",392375,NA,"PDBC18166","692659","Present",NA,NA
+"18167","2-[[9-(4-Methoxyphenyl)purin-6-yl]amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[9-(4-Methoxyphenyl)purin-6-yl]amino]acetic acid",NA,"COC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)NCC(=O)O","XWDZDKGXAJCPEQ-UHFFFAOYSA-N",392373,NA,"PDBC18167","692657","Present",NA,NA
+"18168","2-[[Amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]-5-methoxy-1-methylindole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(N,N-bis(2-bromoethyl)phosphorodiamidoxy)methyl-1-meth...",NA,"CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N)N(CCBr)CCBr","AOKALVYURCQZDZ-UHFFFAOYSA-N",404935,NA,"PDBC18168","721513","Present",NA,NA
+"18169","2-[[Amino-[bis(2-bromoethyl)amino]phosphoryl]oxymethyl]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphorodiamidic acid, N,N-bis(2-bromoethyl)-, (1,4-dio...",NA,"C1=CC=C2C(=C1)C(=O)C=C(C2=O)COP(=O)(N)N(CCBr)CCBr","ISYZCIXZTRIBDU-UHFFFAOYSA-N",390536,NA,"PDBC18169","688023","Present",NA,NA
+"18170","2-[[Amino-[bis(2-chloroethyl)amino]phosphoryl]oxymethyl]-5-methoxy-1-methylindole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(N,N-bis(2-chloroethyl)phosphorodiamidoxy)methyl-1-met...",NA,"CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N)N(CCCl)CCCl","RZDVBPPNAUBBNJ-UHFFFAOYSA-N",404936,NA,"PDBC18170","721514","Present",NA,NA
+"18171","2-[[Bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[Bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-6-(4-methoxyphenoxy)tetrahydropyran-3,4,5-triol",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(C(O4)OC5=CC=C(C=C5)OC)O)O)O","OXPORIGCBLNTGG-UHFFFAOYSA-N",380511,NA,"PDBC18171","666126","Present",NA,NA
+"18172","2-[[Bis(aziridin-1-yl)phosphinyl]amino]propanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Alanine, N-[bis(1-aziridinyl)phosphinyl]-, methyl ester",NA,"CC(C(=O)OC)NP(=O)(N1CC1)N2CC2","FYBNXEFRUIOPRX-UHFFFAOYSA-N",357382,NA,"PDBC18172","615830","Present",NA,NA
+"18173","2-[[Ethoxy(tridecyl)phosphoryl]amino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[Ethoxy(tridecyl)phosphoryl]amino]acetamide",NA,"CCCCCCCCCCCCCP(=O)(NCC(=O)N)OCC","HNGKYNJXWDJGCX-UHFFFAOYSA-N",368415,NA,"PDBC18173","639418","Present",NA,NA
+"18174","2-[[Methyl(pyridin-2-yl)amino]methyl]-10,10a-dihydro-5H-imidazo[1,5-b]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[Methyl(pyridin-2-yl)amino]methyl}-10,10a-dihydroimidazo[1,5-b]isoquinoline-1,3(2H,5H)-dione",NA,"CN(CN1C(=O)C2CC3=CC=CC=C3CN2C1=O)C4=CC=CC=N4","ZXDGVAMJEFKTIL-UHFFFAOYSA-N",372523,NA,"PDBC18174","647657","Present",NA,NA
+"18175","2-[[Methyl[3-(2-pyridylmethylamino)propyl]amino]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[Methyl[3-(2-pyridylmethylamino)propyl]amino]methyl]phenol",NA,"CN(CCCNCC1=CC=CC=N1)CC2=CC=CC=C2O","QWFGPUPBAJNVBH-UHFFFAOYSA-N",396692,NA,"PDBC18175","703226","Present",NA,NA
+"18176","2-[[[(E)-(2-Hydroxy-5-nitrophenyl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-(2-Hydroxy-5-nitrophenyl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=O)OCCOCNC(=S)NN=CC1=C(C=CC(=C1)[N+](=O)[O-])O","UWDFAODCUKGBFG-VIZOYTHASA-N",135499230,NA,"PDBC18176","645644","Present",NA,NA
+"18177","2-[[[(E)-(4-Bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-(4-Bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=O)OCCOCNC(=S)NN=CC1=CC(=CS1)Br","ZSHBVEWMLBWRBO-LHHJGKSTSA-N",9571694,NA,"PDBC18177","645638","Present",NA,NA
+"18178","2-[[[(E)-(4-Hydroxy-2,3-dimethoxyphenyl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-(4-Hydroxy-2,3-dimethoxyphenyl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=O)OCCOCNC(=S)NN=CC1=C(C(=C(C=C1)O)OC)OC","CUTOWPIDJXBYAI-CAOOACKPSA-N",135499229,NA,"PDBC18178","645643","Present",NA,NA
+"18179","2-[[[(E)-(5-Bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-(5-Bromothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=O)OCCOCNC(=S)NN=CC1=CC=C(S1)Br","WOPZYIWBURQISS-MKMNVTDBSA-N",9571695,NA,"PDBC18179","645639","Present",NA,NA
+"18180","2-[[[(E)-(5-Nitrofuran-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-(5-Nitrofuran-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=O)OCCOCNC(=S)NN=CC1=CC=C(O1)[N+](=O)[O-]","BWNOGKLTDWVWRA-AWNIVKPZSA-N",9571697,NA,"PDBC18180","645642","Present",NA,NA
+"18181","2-[[[(E)-(5-Nitrothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-(5-Nitrothiophen-2-yl)methylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=O)OCCOCNC(=S)NN=CC1=CC=C(S1)[N+](=O)[O-]","LZMVHTFJBDZFHR-AWNIVKPZSA-N",9571696,NA,"PDBC18181","645640","Present",NA,NA
+"18182","2-[[[(E)-1-(Furan-2-yl)ethylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-1-(Furan-2-yl)ethylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=NNC(=S)NCOCCOC(=O)C)C1=CC=CO1","GNXQQYQAODIHLN-NTEUORMPSA-N",5933242,NA,"PDBC18182","645641","Present",NA,NA
+"18183","2-[[[(E)-1-Pyrazin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-1-Pyrazin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=NNC(=S)NCOCCOC(=O)C)C1=NC=CN=C1","CCHVWXQYTLNSJM-CXUHLZMHSA-N",9571691,NA,"PDBC18183","645634","Present",NA,NA
+"18184","2-[[[(E)-1-Quinoxalin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-1-Quinoxalin-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=NNC(=S)NCOCCOC(=O)C)C1=NC2=CC=CC=C2N=C1","BJRBDJVBXJOKAD-RGVLZGJSSA-N",9571692,NA,"PDBC18184","645635","Present",NA,NA
+"18185","2-[[[(E)-1-Thiophen-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-1-Thiophen-2-ylethylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=NNC(=S)NCOCCOC(=O)C)C1=CC=CS1","ZQFUDXPIYKTFGW-NTEUORMPSA-N",5875444,NA,"PDBC18185","645637","Present",NA,NA
+"18186","2-[[[(E)-Quinolin-2-ylmethylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(E)-Quinolin-2-ylmethylideneamino]carbamothioylamino]methoxy]ethyl acetate",NA,"CC(=O)OCCOCNC(=S)NN=CC1=NC2=CC=CC=C2C=C1","MUIVGBGZEDGZOI-VCHYOVAHSA-N",9571693,NA,"PDBC18186","645636","Present",NA,NA
+"18187","2-[[[2-[(4-Aminocyclohexyl)amino]-9-cyclopentylpurin-6-yl]amino]methyl]-4-chlorophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[2-[(trans-4-aminocyclohexyl)amino]-9-cyclopentyl-9H...",NA,"C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=C(C=CC(=C5)Cl)O","NTFUBXCARKXYCA-UHFFFAOYSA-N",71817954,NA,"PDBC18187","787976","Present",NA,NA
+"18188","2-[[[3-(Trifluoromethyl)phenyl]carbamothioylamino]methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[3-(Trifluoromethyl)phenyl]carbamothioylamino]methylene]propanediamide",NA,"C1=CC(=CC(=C1)NC(=S)NC=C(C(=O)N)C(=O)N)C(F)(F)F","IISLRVXGWWTVGO-UHFFFAOYSA-N",3004557,NA,"PDBC18188","658335","Present",NA,NA
+"18189","2-[[[4,6-Bis[bis[[2-hydroxyethyl(hydroxymethyl)amino]methyl]amino]-1,3,5-triazin-2-yl]-[[2-hydroxyethyl(hydroxymethyl)amino]methyl]amino]methyl-(hydroxymethyl)amino]ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[4,6-Bis[bis[[2-hydroxyethyl(hydroxymethyl)amino]methyl]amino]-1,3,5-triazin-2-yl]-[[2-hydroxyethyl(hydroxymethyl)amino]methyl]amino]methyl-(hydroxymethyl)amino]ethanol",NA,"C(CO)N(CN(CN(CCO)CO)C1=NC(=NC(=N1)N(CN(CCO)CO)CN(CCO)CO)N(CN(CCO)CO)CN(CCO)CO)CO","OKBYLVCUOSIYFA-UHFFFAOYSA-N",384052,NA,"PDBC18189","673171","Present",NA,NA
+"18190","2-[[[4-(2-Pyridylsulfamoyl)phenyl]carbamothioylamino]methylene]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[4-(2-Pyridylsulfamoyl)phenyl]carbamothioylamino]methylene]propanediamide",NA,"C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC=C(C(=O)N)C(=O)N","VCMZFDJLJQDEJF-UHFFFAOYSA-N",3004551,NA,"PDBC18190","658327","Present",NA,NA
+"18191","2-[[[4-[[4-[[(5-Methyl-2,4-diaminopyrido[2,3-d]pyrimidine-6-yl)methyl]amino]benzoyl]amino]-4-carboxybutyl]amino]carbonyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N(sup .alpha.)-[4-[(2,4-Diamino-5-methylpyrido[2,3-d] py...",NA,"CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=C(C=C3)C(=O)NC(CCCNC(=O)C4=CC=CC=C4C(=O)O)C(=O)O)N)N","IAVQJNSRTDVUJY-UHFFFAOYSA-N",393599,NA,"PDBC18191","695788","Present",NA,NA
+"18192","2-[[[Dimethyl(2-phenylethoxy)silyl]amino]-dimethylsilyl]oxyethylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(Dimethyl-phenethyloxy-silyl)amino]-dimethyl-silyl]oxyethylbenzene",NA,"C[Si](C)(N[Si](C)(C)OCCC1=CC=CC=C1)OCCC2=CC=CC=C2","XWDSFCVHADZQCH-UHFFFAOYSA-N",395864,NA,"PDBC18192","700866","Present",NA,NA
+"18193","2-[[a-(4-AMYNOBENZOYLOXY)ACETYL]AMYNO]-4-CARBETHOXYMETHYLTHY AZOLE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[a-(4-AMYNOBENZOYLOXY)ACETYL]AMYNO]-4-CARBETHOXYMETHY...",NA,"CCOC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)N","PWSNOSONPXYNJB-UHFFFAOYSA-N",23887647,NA,"PDBC18193","736267","Present",NA,NA
+"18194","2-[[a-(4-Aminobenzoyloxy)phenylacetyl]amino]-4-carbethoxymet hylthiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[a-(4-aminobenzoyloxy)phenylacetyl]amino]-4-carbethox...",NA,"CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)N","OVRPIJVQQCHLRK-UHFFFAOYSA-N",24205619,NA,"PDBC18194","736273","Present",NA,NA
+"18195","2-[[a-(4-Chlorobenzoyloxy)phenylacetyl]amino]-4-carbethoxyme thylthiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[a-(4-chlorobenzoyloxy)phenylacetyl]amino]-4-carbetho...",NA,"CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)Cl","OKJOQFPUCGJZRB-UHFFFAOYSA-N",24205618,NA,"PDBC18195","736272","Present",NA,NA
+"18196","2-[[a-(4-METHOXYBENZOYLOXY)ACETYL]AMINO]-4-CARBETHOXYMETHYLT HIAZOLE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[a-(4-METHOXYBENZOYLOXY)ACETYL]AMINO]-4-CARBETHOXYMET...",NA,"CCOC(=O)CC1=CSC(=N1)NC(=O)COC(=O)C2=CC=C(C=C2)OC","CSMKRAVEJNVPDZ-UHFFFAOYSA-N",7861871,NA,"PDBC18196","736268","Present",NA,NA
+"18197","2-[p-Cyanophenyl]-5-chlorobenzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UTADKFJRRZDHFW-UHFFFAOYSA-N",NA,"C1=CC(=CC=C1C#N)C2=NC3=C(N2)C=C(C=C3)Cl","UTADKFJRRZDHFW-UHFFFAOYSA-N",376350,NA,"PDBC18197","657182","Present",NA,NA
+"18198","2-[{6[1-(3,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxol-5yl}oxyl]ethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[{6[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol- ...",NA,"CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCN)OCO3","LIGUTTHNIDGGCQ-UHFFFAOYSA-N",372348,NA,"PDBC18198","647406","Present",NA,NA
+"18199","2-amino-9h-thiochromeno[3,2-d]thiazol-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-9h-thiochromeno[3,2-d]thiazol-9-one",NA,"C1=CC=C2C(=C1)C(=O)C3=C(S2)SC(=N3)N","KCMPIQGYTKTECZ-UHFFFAOYSA-N",391251,NA,"PDBC18199","690148","Present",NA,NA
+"18200","2-aminoethyl[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-aminoethyl[?]dione",NA,"C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)N(C4=O)CCN","OXWGALQMKPJFLU-UHFFFAOYSA-N",363566,NA,"PDBC18200","628538","Present",NA,NA
+"18201","2-aminopregn-5-en-3-yl acetate acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-aminopregn-5-en-3-yl acetate acetate",NA,"CCC1CCC2C1(CCC3C2CC=C4C3(CC(C(C4)OC(=O)C)N)C)C.CC(=O)O","DBWJFDIGSQSORL-UHFFFAOYSA-N",243988,NA,"PDBC18201","54340","Present",NA,NA
+"18202","2-beta,beta-Dimethylacryloyl)-indole-3-acetic acid histamine amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(1H-Imidazol-5-yl)ethyl]-2-[2-(3-methylbut-2-enoyl)-1H-indol-3-yl]acetamide",NA,"CC(=CC(=O)C1=C(C2=CC=CC=C2N1)CC(=O)NCCC3=CN=CN3)C","XPNBJYRBEJDTFT-UHFFFAOYSA-N",398075,NA,"PDBC18202","707440","Present",NA,NA
+"18203","2-beta-D-Ribofuranosyl-4-thiazolecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TIAZOFURIN",NA,"C1=C(N=C(S1)C2C(C(C(O2)CO)O)O)C(=O)N","FVRDYQYEVDDKCR-UHFFFAOYSA-N",323701,NA,"PDBC18203","286193","Present",NA,NA
+"18204","2-butyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-butyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride",NA,"CCCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4","PHQOIVHXKPHYCO-UHFFFAOYSA-N",91667600,NA,"PDBC18204","791101","Present",NA,NA
+"18205","2-chloro-3-(3-dimethylaminopropylamino)-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chloro-3-(3-dimethylaminopropylamino)-1,4-naphthoquinone",NA,"CN(C)CCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl","FLTZGMPLSGEVAO-UHFFFAOYSA-N",31108,NA,"PDBC18205","39349","Present",NA,NA
+"18206","2-chroman-6-yl-5-(4-pyridyl)oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-chroman-6-yl-5-(4-pyridyl)oxazole",NA,"C1CC2=C(C=CC(=C2)C3=NC=C(O3)C4=CC=NC=C4)OC1","RCUOEARNYAXURR-UHFFFAOYSA-N",380228,NA,"PDBC18206","665704","Present",NA,NA
+"18207","2-ethoxyestra-1,3,5-trien-3,17.beta.-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-ethoxyestra-1,3,5-trien-3,17.beta.-diol",NA,"CCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","GZGPTTWIZTVHKE-BKRJIHRRSA-N",383045,NA,"PDBC18207","671043","Present",NA,NA
+"18208","2-ethyl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-ethyl estradiol",NA,"CCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","ASARAWRSNVJSBQ-SSGANFLRSA-N",381025,NA,"PDBC18208","667048","Present",NA,NA
+"18209","2-ethyl-1,3-bis(quinolin-2-ylmethyl)imidazolium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-ethyl-1,3-bis(quinolin-2-ylmethyl)imidazolium bromide",NA,"CCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4","MCQKTXLSLSIFBP-UHFFFAOYSA-N",134153076,NA,"PDBC18209","788912","Present",NA,NA
+"18210","2-i-Propoxyestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-i-propoxyestradiol",NA,"CC(C)OC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","BWTGOMPFSKXALJ-PVHGPHFFSA-N",383044,NA,"PDBC18210","671042","Present",NA,NA
+"18211","2-m-Tolyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-m-Tolyl-1H-[1,8]naphthyridin-4-one",NA,"CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=CC=C3","IZFIIAGLKAXALT-UHFFFAOYSA-N",385181,NA,"PDBC18211","676185","Present",NA,NA
+"18212","2-mercapto-o-acetanisidide, carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-mercapto-o-acetanisidide, carbamate",NA,"COC1=CC=CC=C1NC(=O)CSC(=O)N","WZDOMPZYPBKCOE-UHFFFAOYSA-N",224935,NA,"PDBC18212","13801","Present",NA,NA
+"18213","2-n-Butyl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-n-butyl estradiol",NA,"CCCCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","ZWOYTFHYZDNSHZ-ROKIQVFUSA-N",381927,NA,"PDBC18213","669230","Present",NA,NA
+"18214","2-n-Pentyl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-n-pentyl estradiol",NA,"CCCCCC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","QGIBTURYXYIAOG-PAHONEIHSA-N",381924,NA,"PDBC18214","669227","Present",NA,NA
+"18215","2-n-Propoxyestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-n-propoxyestradiol",NA,"CCCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","XQSOTCUQQRLNNS-PVHGPHFFSA-N",383043,NA,"PDBC18215","671041","Present",NA,NA
+"18216","2-p-Tolyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-p-Tolyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC4C(C(C(C(O4)CO)O)O)O","POMKHQJFWSNINL-UHFFFAOYSA-N",363485,NA,"PDBC18216","628409","Present",NA,NA
+"18217","2-p-Tolyl-9-oxa-1-aza-4a-azonia-fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-p-Tolyl-9-oxa-1-aza-4a-azonia-fluorene",NA,"CC1=CC=C(C=C1)C2=NC3=[N+](C=C2)C4=CC=CC=C4O3.[I-]","UJQUMCILSTWUSH-UHFFFAOYSA-M",382822,NA,"PDBC18217","670558","Present",NA,NA
+"18218","2-p-anisylbrendan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-p-anisylbrendan-2-ol",NA,"COC1=CC=C(C=C1)CC2(C3CCC4C3CC2C4)O","GYYZXAGDOGSLBB-UHFFFAOYSA-N",382542,NA,"PDBC18218","670152","Present",NA,NA
+"18219","2-phenyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-phenyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride",NA,"C1=CC=C(C=C1)C2=[N+](C=CN2CC3=NC4=CC=CC=C4C=C3)CC5=NC6=CC=CC=C6C=C5","XDAGBXFNPKROFC-UHFFFAOYSA-N",134153837,NA,"PDBC18219","793140","Present",NA,NA
+"18220","2-phenyl-1-p-toluenesulfonyl-azetidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-phenyl-1-p-toluenesulfonyl-azetidine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC2C3=CC=CC=C3","HACCQCDRPIBLHF-UHFFFAOYSA-N",362131,NA,"PDBC18220","625706","Present",NA,NA
+"18221","2-propenyl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-propenyl estradiol",NA,"CC=CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","ZRVQFPQIVGUHNL-POAGYTCXSA-N",5468270,NA,"PDBC18221","667047","Present",NA,NA
+"18222","2-propyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-propyl-1,3-bis(quinolin-2-ylmethyl)imidazolium chloride",NA,"CCCC1=[N+](C=CN1CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4","ZSHVLUOIFQFDFI-UHFFFAOYSA-N",134157006,NA,"PDBC18222","791100","Present",NA,NA
+"18223","2-pyrazoline (",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-pyrazoline (",NA,"CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N)OC","ZJLDBARTVYQASO-CMDGGOBGSA-N",57393763,NA,"PDBC18223","754837","Present",NA,NA
+"18224","2-trans-n-Buten-1-yl-estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-trans-n-buten-1-yl-estradiol",NA,"CCC=CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","ANAMDWGJXBYJEB-UDSNELCOSA-N",5468334,NA,"PDBC18224","669229","Present",NA,NA
+"18225","2-trans-n-Penten-1-yl estradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-trans-n-penten-1-yl estradiol",NA,"CCCC=CC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4O)C)O","NFBYYCSKVCPRSU-VUYBKYNYSA-N",5468333,NA,"PDBC18225","669228","Present",NA,NA
+"18226","2-{(2E)-2-[1-(3-Methyl-4H-1,4-benzothiazin-2-yl)ethylidene]hydrazino}-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{(2E)-2-[1-(3-Methyl-4H-1,4-benzothiazin-2-yl)ethylidene]hydrazino}-2-oxoacetamide",NA,"CC1=NC2=CC=CC=C2SC1=C(C)NNC(=O)C(=O)N","KXXSQSKVABCJNV-FLIBITNWSA-N",5388348,NA,"PDBC18226","635134","Present",NA,NA
+"18227","2-{(2E)-2-[1-{[(2,5-Dichlorophenyl)amino]carbonyl}-3-(7-methoxy-3-methyl-1,4-dioxidoquinoxalin-2-yl)-3-oxopropylidene]hydrazino}-N,N,N-trimethyl-2-oxoethanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2E)-2-[1-(2,5-Dichloroanilino)-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxobutan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)NC3=C(C=CC(=C3)Cl)Cl.[Cl-]","SIDSBLWDIWMFBP-UHFFFAOYSA-N",9569990,NA,"PDBC18227","630341","Present",NA,NA
+"18228","2-{(2E)-2-[2-(3-Hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)-1-(2-naphthyl)ethylidene]hydrazino}-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-[2-(3-Hydroxy-2-oxo-1H-indol-3-yl)-1-naphthalen-2-ylethylidene]amino]oxamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=NNC(=O)C(=O)N)CC3(C4=CC=CC=C4NC3=O)O","KNAAVNFUUCPYLP-XIEYBQDHSA-N",6150564,NA,"PDBC18228","632936","Present",NA,NA
+"18229","2-{(2E)-2-[2-[(4-Acetylphenyl)amino]-2-oxo-1-(pyridin-2-ylmethyl)ethylidene]hydrazino}-N,N,N-trimethyl-2-oxoethanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2E)-2-[1-(4-Acetylanilino)-1-oxo-3-pyridin-2-ylpropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"CC(=O)C1=CC=C(C=C1)NC(=O)C(=NNC(=O)C[N+](C)(C)C)CC2=CC=CC=N2.[Cl-]","GJHWUJGGVBNHLY-UHFFFAOYSA-N",6517030,NA,"PDBC18229","642060","Present",NA,NA
+"18230","2-{(2E)-2-[3-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)-1-methylpropylidene]hydrazino}-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{(2E)-2-[3-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)-1-methylpropylidene]hydrazino}-2-oxoacetamide",NA,"CC(=NNC(=O)C(=O)N)CCN1C(=O)C=CC(=O)N1","GLQYQFNCCBFHBE-WUXMJOGZSA-N",9570028,NA,"PDBC18230","633950","Present",NA,NA
+"18231","2-{(2E)-3-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(2-hydroxyethyl)triaz-2-enyl}ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{(2E)-3-[4-(1H-benzimidazol-2-yl)phenyl]-1-(2-hydroxye...",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NN(CCO)CCO","CKDRTRDPEUFMOY-UHFFFAOYSA-N",24203870,NA,"PDBC18231","729832","Present",NA,NA
+"18232","2-{(2Z)-2-[1-(3,6-Dichloro-2-hydroxyphenyl)-2-(3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl)propylidene]hydrazino}-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(Z)-[1-(3,6-Dichloro-2-hydroxyphenyl)-2-(3-hydroxy-2-oxo-1H-indol-3-yl)propylidene]amino]oxamide",NA,"CC(C(=NNC(=O)C(=O)N)C1=C(C=CC(=C1O)Cl)Cl)C2(C3=CC=CC=C3NC2=O)O","XCMZQLSKBKYPEW-OYKKKHCWSA-N",135483935,NA,"PDBC18232","625913","Present",NA,NA
+"18233","2-{(2Z)-2-[4-{[2-(Aminocarbonyl)phenyl]amino}-1,2-bis(methoxycarbonyl)-3,4-dioxobutylidene]hydrazino}-N,N,N-trimethyl-2-oxoethanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2Z)-2-[5-(2-Carbamoylanilino)-1-methoxy-3-methoxycarbonyl-1,4,5-trioxopentan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"C[N+](C)(C)CC(=O)NN=C(C(C(=O)C(=O)NC1=CC=CC=C1C(=O)N)C(=O)OC)C(=O)OC.[Cl-]","RPAWVQGWMKFCNX-UHFFFAOYSA-N",9555846,NA,"PDBC18233","642065","Present",NA,NA
+"18234","2-{(E)-[1-(3-Chloro-5-nitrobenzoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{(E)-[1-(3-Chloro-5-nitrobenzoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid",NA,"CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]","FVXHANQYPFMYAF-UHFFFAOYSA-N",362538,NA,"PDBC18234","626612","Present",NA,NA
+"18235","2-{(E)-[3-Methyl-1-(4-nitrobenzoyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{(E)-[3-Methyl-1-(4-nitrobenzoyl)-5-oxo-4,5-dihydro-1H-pyrazol-4-yl]diazenyl}benzoic acid",NA,"CC1=NN(C(=O)C1N=NC2=CC=CC=C2C(=O)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]","JFFACAUNKYTWPV-UHFFFAOYSA-N",362539,NA,"PDBC18235","626613","Present",NA,NA
+"18236","2-{(Z)-2-[4-(Dimethylamino)phenyl]ethenyl}-1,3,3-trimethyl-3H-indol-1-ium chloride--hydrogen chloride (1/1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4-[(Z)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride",NA,"CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C)C.Cl.[Cl-]","KLWLDBYSWRVJKO-UHFFFAOYSA-M",54599828,NA,"PDBC18236","31768","Present",NA,NA
+"18237","2-{2-[4-(3-{4-[2-(6-(4-Methylhexahydro-1-pyrazinyl-1,3-dihydro-1H-benzo[de]isoquinolin-2-yl)ethyl]hexahydro-1-pyrazinyl}propyl)hexahydro-1-pyrazinyl]ethyl}-6-(4-methylhex ahydro-1-pyrazinyl)-2,3-dihydro-1H-benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{2-[4-(3-{4-[2-(6-(4-methylhexahydro-1-pyrazinyl-1,3-d...",NA,"CN1CCN(CC1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCN5CCN(CC5)CCCN6CCN(CC6)CCN7C(=O)C8=C9C(=C(C=C8)N1CCN(CC1)C)C=CC=C9C7=O","VWXKLMVZDYKXDU-UHFFFAOYSA-N",24205465,NA,"PDBC18237","735823","Present",NA,NA
+"18238","2-{4-[(1E)-3-Pyridine-4-yltriaz-1-enyl]phenyl}-1H-benzimidaz ole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[(1E)-3-pyridine-4-yltriaz-1-enyl]phenyl}-1H-benzim...",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NC4=CC=NC=C4","QGPPFPVSISOJET-UHFFFAOYSA-N",24203869,NA,"PDBC18238","729831","Present",NA,NA
+"18239","2-{4-[3-(3,4-Dichlorophenyl)-2-propenyloxy]phenyl}-methylene-6-dimethylaminomethyl cyclohexanone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[3-(3,4-dichlorophenyl)-2-propenyloxy]phenyl}-methy...",NA,"CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC(=C(C=C3)Cl)Cl)C1=O.Cl","OYQPNDAKJQAUBD-YITQAVLPSA-N",6519685,NA,"PDBC18239","693443","Present",NA,NA
+"18240","2-{4-[3-(Pyrrolidin-1-ylsulfonyl)pyridin-4-yl]piperazin-1-yl}ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[3-(Pyrrolidin-1-ylsulfonyl)pyridin-4-yl]piperazin-...",NA,"C1CCN(C1)S(=O)(=O)C2=C(C=CN=C2)N3CCN(CC3)CCO","ORDCWPBWLQSOON-UHFFFAOYSA-N",325374,NA,"PDBC18240","293957","Present",NA,NA
+"18241","2-{4-[4-(4-{4-[6-(4-Methyl piperazino)-1H-benzo[d]imidazole-2-yl]phenoxy}butyl)piperazino]butyl}-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[4-(4-{4-[6-(4-methyl piperazino)-1H-benzo[d]imidaz...",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCCN5CCN(CC5)CCCCN6C(=O)C7=CC=CC8=C7C(=CC=C8)C6=O","MWKCVFBPBQWGJM-UHFFFAOYSA-N",44218964,NA,"PDBC18241","743430","Present",NA,NA
+"18242","2-{4-[4-(4-{4-[6-Morpholino-1H-benzo[d]imidazole-2-yl]phenoxy}butyl)piperazino]butyl}-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[4-(4-{4-[6-morpholino-1H-benzo[d]imidazole-2-yl]ph...",NA,"C1CN(CCN1CCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCCCOC5=CC=C(C=C5)C6=NC7=C(N6)C=C(C=C7)N8CCOCC8","INRUQJPTZWXKRO-UHFFFAOYSA-N",44219117,NA,"PDBC18242","743431","Present",NA,NA
+"18243","2-{4-[4-(5-Morpholino-1H-benzo[d]imidazol-2-yl)phenoxy]butyl}-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{4-[4-(5-morpholino-1H-benzo[d]imidazol-2-yl)phenoxy]b...",NA,"C1COCCN1C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O","QGKRJVRREBVWCS-UHFFFAOYSA-N",45027929,NA,"PDBC18243","740160","Present",NA,NA
+"18244","2-{5-[4-(5-{4-[6-Morpholino-1H-benzo[d]imidazole-2-yl]phenoxy}pentyl)piperazino]pentyl}-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{5-[4-(5-{4-[6-morpholino-1H-benzo[d]imidazole-2-yl]ph...",NA,"C1CN(CCN1CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCCCCOC5=CC=C(C=C5)C6=NC7=C(N6)C=C(C=C7)N8CCOCC8","QUMCMHPFOMJAAK-UHFFFAOYSA-N",44219118,NA,"PDBC18244","743432","Present",NA,NA
+"18245","2-{N'-[2-(N'-Acetyl-hydrazino)-4-methyl-thiazole-5-carbonyl]-hydrazino}-N-(2,4-dinitro-phenyl)-2-oxo-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,4-dinitrophenyl)-2-oxoacetamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","VVAYYAJKINIGDU-UHFFFAOYSA-N",11980219,NA,"PDBC18245","640969","Present",NA,NA
+"18246","2-{N'-[2-(N'-Acetyl-hydrazino)-4-methyl-thiazole-5-carbonyl]-hydrazino}-N-(2,5-dimethoxy-phenyl)-2-oxo-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(2,5-dimethoxyphenyl)-2-oxoacetamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=C(C=CC(=C2)OC)OC","MUAYQIYLNBGLCG-UHFFFAOYSA-N",369563,NA,"PDBC18246","641427","Present",NA,NA
+"18247","2-{N'-[2-(N'-Acetyl-hydrazino)-4-methyl-thiazole-5-carbonyl]-hydrazino}-N-(4-chloro-phenyl)-2-oxo-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazole-5-carbonyl]hydrazinyl]-N-(4-chlorophenyl)-2-oxoacetamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)NNC(=O)C(=O)NC2=CC=C(C=C2)Cl","IHJOOMBCIZQOCJ-UHFFFAOYSA-N",369567,NA,"PDBC18247","641433","Present",NA,NA
+"18248","2-{[(4-Bromophenyl)amino]carbonothioyl}-N-(2-methylimidazo[1,2-a]pyridin-3-yl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[(4-bromophenyl)amino]carbonothioyl}-N-(2-methylimida...",NA,"CC1=C(N2C=CC=CC2=N1)NC(=O)NNC(=S)NC3=CC=C(C=C3)Br","IZFBJICXDHFPRK-UHFFFAOYSA-N",24205493,NA,"PDBC18248","736047","Present",NA,NA
+"18249","2-{[(4-Bromophenyl)amino]methyl}-5-(4-methoxybenzylidene)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[(4-Bromophenyl)amino]methyl}-5-(4-methoxybenzylidene...",NA,"COC1=CC=C(C=C1)C=C2CCC(C2=O)CNC3=CC=C(C=C3)Br","KEPAOGWDHFGYRH-NTCAYCPXSA-N",5467975,NA,"PDBC18249","661235","Present",NA,NA
+"18250","2-{[(4-Chlorophenyl)amino]carbonothioyl}-N-(2-methylimidazo[1,2-a]pyridin-3-yl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[(4-chlorophenyl)amino]carbonothioyl}-N-(2-methylimid...",NA,"CC1=C(N2C=CC=CC2=N1)NC(=O)NNC(=S)NC3=CC=C(C=C3)Cl","GAULLDKETXCPHX-UHFFFAOYSA-N",24205492,NA,"PDBC18250","736046","Present",NA,NA
+"18251","2-{[(4-Chlorophenyl)sulfonyl]amino}propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBKinase1_000453",NA,"CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)Cl","SGHZTBDKKOKWDI-UHFFFAOYSA-N",362749,NA,"PDBC18251","627005","Present",NA,NA
+"18252","2-{[(4-Fluorophenyl)amino]carbonothioyl}-N-(2-methylimidazo[1,2-a]pyridin-3-yl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[(4-fluorophenyl)amino]carbonothioyl}-N-(2-methylimid...",NA,"CC1=C(N2C=CC=CC2=N1)NC(=O)NNC(=S)NC3=CC=C(C=C3)F","QEAIKYJQHCQARJ-UHFFFAOYSA-N",24205491,NA,"PDBC18252","736045","Present",NA,NA
+"18253","2-{[(4-Methoxyphenyl)sulfonyl]amino}propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6418AE",NA,"CC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)OC","XTCIPBHRVYICGT-UHFFFAOYSA-N",362748,NA,"PDBC18253","627004","Present",NA,NA
+"18254","2-{[(4-Methylphenyl)sulfonyl]amino}propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627002///NSC627003",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)O","LQXKHFZRJYXXFA-UHFFFAOYSA-N",362747,NA,"PDBC18254","627002///627003","Present",NA,NA
+"18255","2-{[(6-Ethoxy-1,10-dihydro-5-benzo[e] 1,2,4-triazolo[1,5-b][1,2,4] thiadizine-5,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[(6-ethoxy-1,3-benzothiazol-2-yl)sulfamy] methyl}-10-...",NA,"CCOC1=CC2=C(C=C1)N=C(S2)SCC3=NN4C(=N3)N(C5=CC=CC=C5S4(=O)=O)C","LVPORUDZFFAZPF-UHFFFAOYSA-N",24180678,NA,"PDBC18255","741380","Present",NA,NA
+"18256","2-{[(e)-{4-[Bis(2-chloroethyl)amino]phenyl}methylidene]amino}benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthranilic acid, N-[p-[bis(2-chloroethyl)amino]benzylid...",NA,"C1=CC=C(C(=C1)C(=O)O)N=CC2=CC=C(C=C2)N(CCCl)CCCl","MJQQQKFACWBDPW-UHFFFAOYSA-N",265452,NA,"PDBC18256","101492","Present",NA,NA
+"18257","2-{[2-({[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino}sulfonyl)-5-chloro-4-methylphenyl]thio}butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methylphenyl]sulfanylbutanoic acid",NA,"CCC(C(=O)O)SC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)NC2=NC(=NC(=N2)N)N(C)C","FGPRWXULIZEMQN-UHFFFAOYSA-N",378487,NA,"PDBC18257","661087","Present",NA,NA
+"18258","2-{[4-(Dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[4-(Dimethylamino)phenyl](hydroxy)methyl}naphthalene-1,4-dione",NA,"CN(C)C1=CC=C(C=C1)C(C2=CC(=O)C3=CC=CC=C3C2=O)O","SOHBBNNFCYTYIL-UHFFFAOYSA-N",245772,NA,"PDBC18258","58011","Present",NA,NA
+"18259","2-{[5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylamino}-3-(1H-indol-3-yl)-propionic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]phosphonamidic acid",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O","PAXIHOGDMPLDDH-UHFFFAOYSA-N",384413,NA,"PDBC18259","674188","Present",NA,NA
+"18260","2-{[5-(4-Amino-2-oxo-3,4-dihydro-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylamino}-3-phenyl-propionic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-N-(1-methoxy-1-oxo-3-phenylpropan-2-yl)phosphonamidic acid",NA,"COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O","YMHTWXJYERSYMA-UHFFFAOYSA-N",384411,NA,"PDBC18260","674186","Present",NA,NA
+"18261","2-{[Bis(2-hydroxyethyl)amino]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[Bis(2-hydroxyethyl)amino]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one",NA,"CC1=CN2C(=NC(=CC2=O)CN(CCO)CCO)C=C1","NBMHGLHEKXNNCO-UHFFFAOYSA-N",390354,NA,"PDBC18261","687690","Present",NA,NA
+"18262","2-{[alpha-(N-Morpholino)]-[2-((E)-3-phenyl-2-propenyloxy)benzyl]}benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[.alpha.-(N-Morpholino)]-[2-((E)-3-phenyl-2-propenylo...",NA,"C1COCCN1C(C2=CC=CC=C2OCC=CC3=CC=CC=C3)N4N=C5C=CC=CC5=N4","PIMGGIQTFBWETK-DHZHZOJOSA-N",5931762,NA,"PDBC18262","671448","Present",NA,NA
+"18263","2.5-Anhydro-1-(3,4,5-trimethoxyphenyl)-1-[3-hydroxy-4-methoxyphenyl]-1-desoxy-3.4:6.7-di-O-isopropylidene-L-glucohept-1-enitol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2.5-anhydro-1-(3,4,5-trimethoxyphenyl)-1-[3-hydroxy-4-me...",NA,"CC1(OCC(O1)C2C3C(C(=C(C4=CC(=C(C=C4)OC)O)C5=CC(=C(C(=C5)OC)OC)OC)O2)OC(O3)(C)C)C","HVBSSJMEZFQFCH-ZXUXXAPZSA-N",54576090,NA,"PDBC18263","753427","Present",NA,NA
+"18264","20(S)-Camptothecin-21-lactam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"20(S)-Camptothecin-21-lactam",NA,"CCC1(C2=C(CNC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O","BADYCAWLXKLLMB-FQEVSTJZSA-N",10450357,NA,"PDBC18264","613799","Present",NA,NA
+"18265","20,20-Dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"20,20-Dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione",NA,"CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=CC=CC=C6C5=O)C","MJYMIWDYXRHICT-UHFFFAOYSA-N",406717,NA,"PDBC18265","724982","Present",NA,NA
+"18266","20-(4-Chlorophenyl)-16,19-diazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(14),2,4,6,8,10,12,15-octaen-20-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"20-(4-Chlorophenyl)-16,19-diazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-1(14),2,4,6,8,10,12,15-octaen-20-ol",NA,"C1CN2C(=N1)C3=C(C2(C4=CC=C(C=C4)Cl)O)C5=CC=CC=C5C6=CC=CC=C63","BNGGAXDPIFCFSB-UHFFFAOYSA-N",403509,NA,"PDBC18266","718509","Present",NA,NA
+"18267","20-(Methylamino)-2,3,5,6,8,9,11,12-octahydroanthra[2,3-b][1,4,7,10,13]pentaoxacyclopentadecin-15(20H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"25-(Methylamino)-2,5,8,11,14-pentaoxatetracyclo[13.12.0.017,26.019,24]heptacosa-1(15),16,19,21,23,26-hexaen-18-one",NA,"CNC1C2=CC=CC=C2C(=O)C3=CC4=C(C=C13)OCCOCCOCCOCCO4","URNRSYOFIREMLY-UHFFFAOYSA-N",378127,NA,"PDBC18267","659928","Present",NA,NA
+"18268","20-Epitabernemontanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-Dregamine",NA,"CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C","FFVRRQMGGGTQRH-GYOUQHOJSA-N",6711192,NA,"PDBC18268","177392","Present",NA,NA
+"18269","20-N,N-Dimethylamino-20-deoxycamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"20-N,N-dimethylamino-20-deoxycamptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)N(C)C","XYQRXBXBVRVZQV-QFIPXVFZSA-N",395168,NA,"PDBC18269","699469","Present",NA,NA
+"18270","20-Oxo-20lambda4-thia-10,17-diazapentacyclo[11.7.0.01,17.02,10.04,9]icosa-2,4,6,8-tetraen-18-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"20-Oxo-20lambda4-thia-10,17-diazapentacyclo[11.7.0.01,17.02,10.04,9]icosa-2,4,6,8-tetraen-18-one",NA,"C1CC2CCN3C4=CC=CC=C4C=C3C25N(C1)C(=O)CS5=O","JRJNKCMPFWGBFE-UHFFFAOYSA-N",397451,NA,"PDBC18270","705309","Present",NA,NA
+"18271","20-Thia-10,17-diazahexacyclo[11.7.0.01,17.02,10.03,19.04,9]icosa-2,4,6,8-tetraen-18-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"20-Thia-10,17-diazahexacyclo[11.7.0.01,17.02,10.03,19.04,9]icosa-2,4,6,8-tetraen-18-one",NA,"C1CC2CCN3C4=CC=CC=C4C5=C3C26N(C1)C(=O)C5S6","ITNGIFCBHPWDIL-UHFFFAOYSA-N",397450,NA,"PDBC18271","705308","Present",NA,NA
+"18272","20-[(2S)-2,3-Dihydroxypropyl]-15,16-difluoro-5,7-dioxa-20-azapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaene-11,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-6-(2,3-dihydroxypropyl)-2,3-difluoro-5H-[1,3]dioxolo...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC(=C(C=C5C(=O)N4CC(CO)O)F)F","ILEBIIJILXMXHG-QMMMGPOBSA-N",122660205,NA,"PDBC18272","782770","Present",NA,NA
+"18273","21-Thia-3,13-diazahexacyclo[13.5.1.01,13.02,10.04,9.015,19]henicosa-2(10),4,6,8-tetraen-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"21-Thia-3,13-diazahexacyclo[13.5.1.01,13.02,10.04,9.015,19]henicosa-2(10),4,6,8-tetraen-14-one",NA,"C1CC2CC34C5=C(CCN3C(=O)C2(C1)S4)C6=CC=CC=C6N5","ONTYSFPWMUHROE-UHFFFAOYSA-N",397457,NA,"PDBC18273","705315","Present",NA,NA
+"18274","21-[2-(Dimethylamino)ethyl]-17-hydroxy-16-methoxy-5,7-dioxa-11,21-diazapentacyclo[11.8.0.02,10.04,8.014,19]henicosa-1(13),2,4(8),9,11,14,16,18-octaen-20-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-hydroxy-3-methoxy-13-oxo-[1,3]dioxolo[4',5':4,5]ben...",NA,"CN(C)CCN1C2=C(C=NC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)O)OC","SGRBAVOESVMEMX-UHFFFAOYSA-N",68308034,NA,"PDBC18274","782074","Present",NA,NA
+"18275","21-[3-(2,4-Dichlorophenyl)propyl]-16,17-dimethoxy-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,14,16,18,20-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-[3'-(2"""""""""""""""",4""""""""""""""""- dichlorophenyl)propyl] berberine chloride",NA,"COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)CCCC6=C(C=C(C=C6)Cl)Cl)OC","HBGBZHJEGVLWMK-UHFFFAOYSA-N",155816782,NA,"PDBC18275","785287","Present",NA,NA
+"18276","22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-5,7,9,15,17,19(25)-hexaen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"22-(Cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-5,7,9,15,17,19(25)-hexaen-2-ol",NA,"C1CC1CN2CCC34C5C6C(CC3(C2CC7=C4C(=CC=C7)O5)O)C8=CC=CC=C8N6","VSRCXPMQGPUFPL-UHFFFAOYSA-N",398251,NA,"PDBC18276","707850","Present",NA,NA
+"18277","22-Hydroxytingenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"22-Hydroxytingenone",NA,"CC1CC2C(CCC3(C2(CCC4(C3=CC=C5C4=CC(=O)C(=C5C)O)C)C)C)(C(C1=O)O)C","QIRUFAFQGKOTKA-YKUCPAPWSA-N",389017,NA,"PDBC18277","684506","Present",NA,NA
+"18278","22-Methyl-16-(1-phenyltetrazol-5-yl)oxy-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazol-8a(9H)-...",NA,"CN1CCC23C4C5=C(CC2(C1CC6=C3C(=C(C=C6)OC7=NN=NN7C8=CC=CC=C8)O4)O)C9=CC=CC=C9N5","ZEXMQXDLHHQAAX-UHFFFAOYSA-N",398620,NA,"PDBC18278","708568","Present",NA,NA
+"18279","22-Thia-3,13-diazahexacyclo[13.6.1.01,13.02,10.04,9.015,20]docosa-2(10),4,6,8-tetraen-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"22-Thia-3,13-diazahexacyclo[13.6.1.01,13.02,10.04,9.015,20]docosa-2(10),4,6,8-tetraen-14-one",NA,"C1CCC23C(C1)CC4(S2)C5=C(CCN4C3=O)C6=CC=CC=C6N5","IUDDMVGPYGGSEH-UHFFFAOYSA-N",397458,NA,"PDBC18279","705316","Present",NA,NA
+"18280","23,1-c] [1,4]Oxaazacyclohentriacontine-1,5,11,28,29-pentone-, 1,4,5,6,9,10,11,12,13,14,21,22,23,24,25,26,27,28,29,31, 32,33,34,34a-tetracosahydro-27-hydroxy-10,21-dimethoxy-3-[2-[3-methoxy-4-[1-oxo-3-(dimethylamino)propoxy]cyclohexyl]-1-methylethyl]-6,8,12,14,20,26-hexamethyl-9-[1-oxo-3-(dimethylamino)propoxy]-, stereoisomer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"23,27-Epoxy-3H-pyrido[2,1-c] [1,4]oxaazacyclohentriacont...",NA,"CCN(CC)CCC(=O)OC1CCC(CC1OC)CC(C)C2CC(=O)C(C=C(C(C(C(=O)C(CC(C=CC=CC=C(C(CC3CCC(C(O3)(C(=O)C(=O)N4CCCCC4C(=O)O2)O)C)OC)C)C)C)OC)OC(=O)CCN(CC)CC)C)C","ORVYOCOKBVMPLA-XGBKAKJLSA-N",54600729,NA,"PDBC18280","643248","Present",NA,NA
+"18281","23-Methyl-20,26-dioxa-3,14-diazapentacyclo[25.2.2.24,7.210,13.216,19]heptatriaconta-1(30),2,4,6,10,12,14,16(33),17,19(32),27(31),28,34,36-tetradecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"23-Methyl-20,26-dioxa-3,14-diazapentacyclo[25.2.2.24,7.210,13.216,19]heptatriaconta-1(30),2,4,6,10,12,14,16(33),17,19(32),27(31),28,34,36-tetradecaene",NA,"CC1CCOC2=CC=C(C=C2)C=NC3=CC=C(CCC4=CC=C(C=C4)N=CC5=CC=C(C=C5)OCC1)C=C3","PFVYKINPSCKERY-UHFFFAOYSA-N",395245,NA,"PDBC18281","699721","Present",NA,NA
+"18282","23-Methyl-ursodeoxycholic acid (alpha)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"23-Methyl-ursodeoxycholic acid (.alpha.)",NA,"CC(CC(C)C(=O)O)C1CCC2C1(C(=O)CC3C2C(CC4C3(CCC(C4)O)C)O)C","DZHVFBBPRZSBGN-SNTYEERESA-N",376835,NA,"PDBC18282","657953","Present",NA,NA
+"18283","23-O-Acetylshengmanol xyloside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"23-O-acetylshengmanol xyloside",NA,"CC(CC(C1C(O1)(C)C)OC(=O)C)C2C(=O)C(C3(C2(CCC45C3CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)C)C)O","IHEJMZHKJYHVFF-QBTGIYHESA-N",399180,NA,"PDBC18283","709752","Present",NA,NA
+"18284","24,24-Dimethyl-23-oxaheptacyclo[14.6.1.118,21.01,18.02,15.04,13.06,11]tetracosa-4,6,8,10,12-pentaene-3,14,17-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"24,24-Dimethyl-23-oxaheptacyclo[14.6.1.118,21.01,18.02,15.04,13.06,11]tetracosa-4,6,8,10,12-pentaene-3,14,17-trione",NA,"CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=CC7=CC=CC=C7C=C6C5=O)C","LUKSTSSLQKQBOQ-UHFFFAOYSA-N",406718,NA,"PDBC18284","724983","Present",NA,NA
+"18285","24-Epibrassinolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brassinolide",NA,"CC(C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C3(CC(C(C4)O)O)C)C)O)O","IXVMHGVQKLDRKH-UHFFFAOYSA-N",3239,NA,"PDBC18285","325306","Present",NA,NA
+"18286","24-Methyl-20,28-dioxa-3,14-diazapentacyclo[27.2.2.24,7.210,13.216,19]nonatriaconta-1(32),2,4,6,10,12,14,16(35),17,19(34),29(33),30,36,38-tetradecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"24-Methyl-20,28-dioxa-3,14-diazapentacyclo[27.2.2.24,7.210,13.216,19]nonatriaconta-1(32),2,4,6,10,12,14,16(35),17,19(34),29(33),30,36,38-tetradecaene",NA,"CC1CCCOC2=CC=C(C=C2)C=NC3=CC=C(CCC4=CC=C(C=C4)N=CC5=CC=C(C=C5)OCCC1)C=C3","SBAYUZVXQIEWSU-UHFFFAOYSA-N",395247,NA,"PDBC18286","699723","Present",NA,NA
+"18287","24-Methylenecholesta-5,5alpha,6beta,19-tetraol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"24-Methylenecholesta-5,24(28)-diene-3.beta.,5.alpha.,6.b...",NA,"CC(C)C(=C)CCC(C)C1CCC2C1(CCC3C2CC(C4C3(CCC(C4)O)CO)O)C","XAJQLFZWCOBXMJ-VJENCBHGSA-N",398795,NA,"PDBC18287","708931","Present",NA,NA
+"18288","25-Dihydrosaframycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"25-dihydrosaframycin a",NA,"CC1=C(C(=O)C2=C(C1=O)CC3C4C5=C(CC(N4C)C(N3C2CNC(=O)C(C)O)C#N)C(=O)C(=C(C5=O)OC)C)OC","CAMSTDAAQJKEMB-UHFFFAOYSA-N",100180,NA,"PDBC18288","357503","Present",NA,NA
+"18289","25-O-acetylcimigenol xyloside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"25-O-acetylcimigenol xyloside",NA,"CC1CC2C(OC3(C1C4(CCC56CC57CCC(C(C7CCC6C4(C3O)C)(C)C)OC8C(C(C(CO8)O)O)O)C)O2)C(C)(C)OC(=O)C","NNFJPOSVDKIWPO-WBPSWEDNSA-N",399182,NA,"PDBC18289","709754","Present",NA,NA
+"18290","26-mer non-antisense aptameric oligodeoxynucleotide,~5'-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"26-mer non-antisense aptameric oligodeoxynucleotide,~5'-...",NA,NA,NA,NA,NA,"PDBC18290","722113","Present",NA,NA
+"18291","26-p-E-Coumaroyloxy Ussolic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"26-p-E-Coumaroyloxy Ussolic Acid",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)COC(=O)C=CC6=CC=C(C=C6)O)C(=O)O","RZHJGXXCTIXCRI-URLOHVAJSA-N",5459190,NA,"PDBC18291","640471","Present",NA,NA
+"18292","27-p-Z-Coumaroyloxy ussolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"27-p-Z-Coumaroyloxy ussolic acid",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)COC(=O)C=CC6=CC=C(C=C6)O)C(=O)O","RZHJGXXCTIXCRI-IBVAPBFGSA-N",5466666,NA,"PDBC18292","640464","Present",NA,NA
+"18293","28,28-Dimethyl-27-oxaoctacyclo[18.6.1.122,25.01,22.02,19.04,17.05,14.08,13]octacosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"28,28-Dimethyl-27-oxaoctacyclo[18.6.1.122,25.01,22.02,19.04,17.05,14.08,13]octacosa-4(17),5(14),6,8,10,12,15-heptaene-3,18,21-trione",NA,"CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=C(C5=O)C=CC7=C6C=CC8=CC=CC=C87)C","CIXNNOOGDHMPDB-UHFFFAOYSA-N",406719,NA,"PDBC18293","724984","Present",NA,NA
+"18294","296CFO5QF6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"296CFO5QF6",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)C3=CC(=O)C(=O)C4=CC=CC=C43","STWDPXLKJOBSQW-UHFFFAOYSA-N",386891,NA,"PDBC18294","679749","Present",NA,NA
+"18295","2ARYL BENIMIDAZOLE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2ARYL BENIMIDAZOLE",NA,"C1=CC=C2C(=C1)NC(=N2)C3=C(C=C(C=C3)N)O","ANUZUKHFRJRBFU-UHFFFAOYSA-N",135578129,NA,"PDBC18295","731097","Present",NA,NA
+"18296","2G-421S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2G-421S",NA,"CC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NC3=CC=C(C=C3)Cl)C","MNEIZAPQFYIETJ-UHFFFAOYSA-N",383892,NA,"PDBC18296","672768","Present",NA,NA
+"18297","2G5-1E10 antibody",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2G5-1E10 antibody",NA,NA,NA,NA,NA,"PDBC18297","740294","Present",NA,NA
+"18298","2H,6H-Pyrido[1'',2'':3',4']imidazo[1',5':1,2]pyrido[3,4-b]indole, 1,3,4,8,9,14,14b,14c-octahydro-6-(2-nitrophenyl)-, (14bR)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R)-9-(2-Nitrophenyl)-8,10,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),14,16,18-tetraene",NA,"C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=C5[N+](=O)[O-])C6=CC=CC=C6N4","CLPYZIKKIHOWQZ-GTMAMOSYSA-N",365688,NA,"PDBC18298","633541","Present",NA,NA
+"18299","2H-1,2,6-Thiadiazine-3,5(4H,6H)-dione, 2,6-bis(2-phenylethyl)-4-(2-thienylmethylene)-, 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,2,6-Thiadiazine-3,5(4H,6H)-dione, 2,6-bis(2-phenylethyl)-4-(2-thienylmethylene)-, 1,1-dioxide",NA,"C1=CC=C(C=C1)CCN2C(=O)C(=CC3=CC=CS3)C(=O)N(S2(=O)=O)CCC4=CC=CC=C4","QRBGDEQRAGWLQF-UHFFFAOYSA-N",373940,NA,"PDBC18299","650969","Present",NA,NA
+"18300","2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-diethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,3,5-Thiadiazine-2-thione, 3,5-diethyltetrahydro-",NA,"CCN1CN(C(=S)SC1)CC","OHCTUHSHPBLSJY-UHFFFAOYSA-N",96036,NA,"PDBC18300","49194","Present",NA,NA
+"18301","2H-1,3-Benzothiadiazin-4-amine, N-[(4-fluorophenyl) methyl]-, 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,2,3-Benzothiadiazin-4-amine, N-[(4-fluorophenyl) me...",NA,"C1=CC=C2C(=C1)C(=NCC3=CC=C(C=C3)F)NNS2(=O)=O","VYRXJABLUQTIJZ-UHFFFAOYSA-N",135408923,NA,"PDBC18301","645787","Present",NA,NA
+"18302","2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(1H-pyrrol-2-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-pyrro...",NA,"C1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CN3","XWNMORIHKRROGW-UHFFFAOYSA-N",64983,NA,"PDBC18302","66020","Present",NA,NA
+"18303","2H-1,4-Benzothiazin-3(4H)-one 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,4-Benzothiazin-3(4H)-one 1-oxide",NA,"C1C(=O)NC2=CC=CC=C2S1=O","ZMXXJTYWZJLIKV-UHFFFAOYSA-N",369804,NA,"PDBC18303","641997","Present",NA,NA
+"18304","2H-1,5-Benzodiazepin-2-one, 7-chloro-5-[[2-[(diethylamino)methyl]-1-piperidinyl]acetyl]-1,3,4,5-tetrahydro-4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CCN(CC)CC1CCCCN1CC(=O)N2C(CC(=O)NC3=C2C=C(C=C3)Cl)C","JFHMBOHEIJCTAZ-UHFFFAOYSA-N",375586,NA,"PDBC18304","655400","Present",NA,NA
+"18305","2H-1-Benzopyran, 6-chloro-2-(1-naphthalenyl)-3-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran, 6-chloro-2-(1-naphthalenyl)-3-nitro-",NA,"C1=CC=C2C(=C1)C=CC=C2C3C(=CC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]","YMXKIRWWZRAINA-UHFFFAOYSA-N",381154,NA,"PDBC18305","667472","Present",NA,NA
+"18306","2H-1-Benzopyran-2-one, 6-chloro-3-imidazo[2,1-b]thiazol-6-yl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-2-one, 6-chloro-3-imidazo[2,1-b]thiazol-6-yl-",NA,"C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C3=CN4C=CSC4=N3","XMVLBIGDGOEAST-UHFFFAOYSA-N",403453,NA,"PDBC18306","718320","Present",NA,NA
+"18307","2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-2-one, 6-hydroxy-5,7-dimethoxy-4-methyl-",NA,"CC1=CC(=O)OC2=CC(=C(C(=C12)OC)O)OC","WXTIUSAQMSOLIH-UHFFFAOYSA-N",390801,NA,"PDBC18307","688799","Present",NA,NA
+"18308","2H-1-Benzopyran-2-one,3,4-thiadiazol-2-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-2-one, 3-(5-phenyl-1,3,4-thiadiazol-2-yl)-",NA,"C1=CC=C(C=C1)C2=NN=C(S2)C3=CC4=CC=CC=C4OC3=O","NWITZPQNPPJOKT-UHFFFAOYSA-N",397074,NA,"PDBC18308","704387","Present",NA,NA
+"18309","2H-1-Benzopyran-2-one,8-[[bis(2-chloroethyl)amino]methyl]-7-hydroxy-4-phenyl-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[Bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-phenylchromen-2-one;hydrochloride",NA,"C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC(=C3CN(CCCl)CCCl)O.Cl","VBGNCESEWRZYIM-UHFFFAOYSA-N",24188553,NA,"PDBC18309","77041","Present",NA,NA
+"18310","2H-1-Benzopyran-3-carboxamide, 2-imino-N-(1-adamantyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2h-1-benzopyran-3-carboxamide, 2-imino-n-(1-adamantyl)-",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC5=CC=CC=C5OC4=N","UNUQVOHZVLVWRT-UHFFFAOYSA-N",397086,NA,"PDBC18310","704399","Present",NA,NA
+"18311","2H-1-Benzopyran-3-carboxamide, 2-imino-N-(2-thiazolyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-3-carboxamide, 2-imino-N-(2-thiazolyl)-",NA,"C1=CC=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=NC=CS3","JBEDGVHCWKYLCO-UHFFFAOYSA-N",397084,NA,"PDBC18311","704397","Present",NA,NA
+"18312","2H-1-Benzopyran-3-carboxamide, 6-(chloromethyl)-2-oxo-N-pentyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-3-carboxamide, 6-(chloromethyl)-2-oxo-N-...",NA,"CCCCCNC(=O)C1=CC2=C(C=CC(=C2)CCl)OC1=O","ACSDNUUONNFHFX-UHFFFAOYSA-N",402500,NA,"PDBC18312","716526","Present",NA,NA
+"18313","2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-,...",NA,"CCOC(=O)C1=CC2=C(C=C(C=C2OC)OC)OC1=O","ASYOKKGAMBQUSB-UHFFFAOYSA-N",269666,NA,"PDBC18313","111119","Present",NA,NA
+"18314","2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-hydroxy-2-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-4-carbonitrile, 3-(2-benzothiazolyl)-7-hydroxy-2-oxo-",NA,"C1=CC=C2C(=C1)N=C(S2)C3=C(C4=C(C=C(C=C4)O)OC3=O)C#N","NUMVQHABHCWBHI-UHFFFAOYSA-N",135455479,NA,"PDBC18314","608069","Present",NA,NA
+"18315","2H-2,4a-Epoxyphenanthrene-1,3,4-tricarboxylic acid, 1,9,10,10a-tetrahydro-, 3,4-dimethyl 1-(2-propenyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-O,14-O-Dimethyl 11-O-prop-2-enyl 15-oxatetracyclo[10.2.1.01,10.02,7]pentadeca-2,4,6,13-tetraene-11,13,14-tricarboxylate",NA,"COC(=O)C1=C(C23C(CCC4=CC=CC=C42)C(C1O3)C(=O)OCC=C)C(=O)OC","RGWUSULOYBHXHZ-UHFFFAOYSA-N",379167,NA,"PDBC18315","663579","Present",NA,NA
+"18316","2H-Benz[f]indazole, 4,4a,5,6,7,8,8a,9-octahydro-4-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Benz[f]indazole, 4,4a,5,6,7,8,8a,9-octahydro-4-(4-methoxyphenyl)-",NA,"COC1=CC=C(C=C1)C2C3CCCCC3CC4=C2C=NN4","OMCUTTNTEPEQMB-UHFFFAOYSA-N",383211,NA,"PDBC18316","671327","Present",NA,NA
+"18317","2H-Benzopyran-2, 6beta-phenyltetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Benzopyran-2,4-diol, 6.beta.-phenyltetrahydro-",NA,"C1C(CC(OC1C2=CC=CC=C2)O)O","LVCXTYWOMITDAU-YVNMAJEFSA-N",362561,NA,"PDBC18317","626643","Present",NA,NA
+"18318","2H-Cyclohepta[b]furan-2-one, octahydro-5-hydroxy-6-methyl-8-(2-methyl-1-oxobutoxy)-3-methylene-7-(1-oxo-2-butenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Cyclohepta[b]furan-2-one, octahydro-5-hydroxy- 6-meth...",NA,"CCC(C)C(=O)OC1C2C(CC(C(C1(C(=O)C=CC)O)C)O)C(=C)C(=O)O2","WFHINDLSACGWNX-WWAUHBDUSA-N",21672237,NA,"PDBC18318","701593","Present",NA,NA
+"18319","2H-Imidazol-2-one, 4-benzoyl-3-[4-bromo-2-(methylthio)phenyl]-1,3-dihydro-5-(methylthio)-1-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Imidazol-2-one, 4-benzoyl-3-[4-bromo-2-(methylthio)phenyl]-1,3-dihydro-5-(methylthio)-1-phenyl-",NA,"CSC1=C(C=CC(=C1)Br)N2C(=C(N(C2=O)C3=CC=CC=C3)SC)C(=O)C4=CC=CC=C4","ASJJQFZFGSRVDC-UHFFFAOYSA-N",382378,NA,"PDBC18319","669936","Present",NA,NA
+"18320","2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(2-chlorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(2-chlorophenyl)-",NA,"C1CSC2=NC3=C(C(N2C1=O)C4=CC=CC=C4Cl)C5=CC=CC=C5C3=O","RYSIDVORKGPAKT-UHFFFAOYSA-N",369424,NA,"PDBC18320","641194","Present",NA,NA
+"18321","2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(4-chlorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(4-chlorophenyl)-",NA,"C1CSC2=NC3=C(C(N2C1=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5C3=O","PGLXSQXLORVPFN-UHFFFAOYSA-N",369425,NA,"PDBC18321","641195","Present",NA,NA
+"18322","2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(4-fluorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Indeno[2',1':4,5]pyrimido[2,1-b][1,3]thiazine-4,11(3H,6H)-dione, 6-(4-fluorophenyl)-",NA,"C1CSC2=NC3=C(C(N2C1=O)C4=CC=C(C=C4)F)C5=CC=CC=C5C3=O","VJPBQRQQBDAPFC-UHFFFAOYSA-N",369416,NA,"PDBC18322","641186","Present",NA,NA
+"18323","2H-Indol-2-one,3-dihydro-3-(2,2-dimethoxyethyl)-1-[[[2-(trimethylsilyl)ethyl]oxy]methyl]-3-[2-(phenylamino)ethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Indol-2-one, 1,3-dihydro-3-(2,2-dimethoxyethyl)- 1-[[...",NA,"COC(CC1(C2=CC=CC=C2N(C1=O)COCC[Si](C)(C)C)CCNC3=CC=CC=C3)OC","BMYZSAZKNZIZRM-UHFFFAOYSA-N",393200,NA,"PDBC18323","694688","Present",NA,NA
+"18324","2H-Indol-2-one,3-dihydro-3-[1,3-dihydro-3-[(2-hydroxy-2-methylpropoxy)imino]-2H-indol-2-ylidene]-, (3Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Indol-2-one, 1,3-dihydro-3-[1,3-dihydro- 3-[(2-hydrox...",NA,"CC(C)(CON=C1C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O)O","WNRATXIQFKTBAX-QJOMJCCJSA-N",135436296,NA,"PDBC18324","717836","Present",NA,NA
+"18325","2H-Isoindole, 1-(4,6-difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-(2-phenylethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Isoindole, 1-(4,6-difluoro-1,3,5-triazin-2-yl)-3-(ethylthio)-2-(2-phenylethyl)-",NA,"CCSC1=C2C=CC=CC2=C(N1CCC3=CC=CC=C3)C4=NC(=NC(=N4)F)F","ASFQKGYSOLOLOU-UHFFFAOYSA-N",373225,NA,"PDBC18325","649232","Present",NA,NA
+"18326","2H-Isoindole-2-acetic acid,3-dihydro-1,3-dioxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Isoindole-2-acetic acid, .alpha.-(4-chloro-3-oxobutyl...",NA,"COC(=O)C(CCC(=O)CCl)N1C(=O)C2=CC=CC=C2C1=O","OYKOYIWBGZHTMK-UHFFFAOYSA-N",299982,NA,"PDBC18326","174005","Present",NA,NA
+"18327","2H-Isoquinolin-1-one,4-dichlorophenyl)-7-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Isoquinolin-1-one, 3-amino-2-(2-benzothiazolyl)-4-(3,...",NA,"C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C5=CC(=C(C=C5)Cl)Cl)N","KMLKJYGOJNWQMQ-UHFFFAOYSA-N",395233,NA,"PDBC18327","699708","Present",NA,NA
+"18328","2H-Pyran-4-acetaldehyde, 3-(aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Pyran-4-acetaldehyde, 3-(aminomethylene)-alpha-ethenyltetrahydro-4-hydroxy-2-oxo-",NA,"C=CC(C=O)C1(CCOC(=O)C1=CN)O","GBJQPSBGSKNYHV-VMPITWQZSA-N",5853730,NA,"PDBC18328","734792","Present",NA,NA
+"18329","2H-Pyrido[4,3-b][1,4]thiazin-3(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[4,3-b][1,4]thiazolin-3(4H)-one",NA,"C1C(=O)NC2=C(S1)C=CN=C2","GUGWLRYNQDGMSE-UHFFFAOYSA-N",373078,NA,"PDBC18329","648929","Present",NA,NA
+"18330","2H-Tetrazolium,5-diphenyl-chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Tetrazolium, 3-(2-biphenylyl)-2,5-diphenyl- chloride",NA,"C1=CC=C(C=C1)C2=CC=CC=C2[N+]3=NC(=NN3C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]","ULTPUDJGJBDADN-UHFFFAOYSA-M",24189419,NA,"PDBC18330","89172","Present",NA,NA
+"18331","2H-Thieno[3',5]cyclopent[1,2-d]oxazole-2,7(7aH)-dione,4,6-dibromo-3,3a-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Thieno[3',4':4,5]cyclopent[1,2-d]oxazole- 2,7(7aH)-di...",NA,"C12C(C(=O)C3=C(SC(=C31)Br)Br)OC(=O)N2","MMTKAAVXVCBXFI-NQXXGFSBSA-N",383027,NA,"PDBC18331","671009","Present",NA,NA
+"18332","2H-Thieno[3',5]cyclopenta[1,2-d][1,3]oxazole-2,7(3H)-dione, 4,6-dichloro-3a,7a-dihydro-, (cis)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazole- 2,7(3...",NA,"C12C(C(=O)C3=C(SC(=C31)Cl)Cl)OC(=O)N2","BYWUOXFHZWXCQT-UCORVYFPSA-N",5469536,NA,"PDBC18332","689602","Present",NA,NA
+"18333","2H-Triazole-4,5-dicarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Triazole-4,5-dicarbohydrazide",NA,"C1(=NNN=C1C(=O)NN)C(=O)NN","YFGFXLNOZXMDSD-UHFFFAOYSA-N",386604,NA,"PDBC18333","679057","Present",NA,NA
+"18334","2H-Triazolo[4,5-d]pyridazin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Triazolo[4,5-d]pyridazin-4-amine",NA,"C1=NN=C(C2=NNN=C21)N","IETZPSZPJLVYHW-UHFFFAOYSA-N",391402,NA,"PDBC18334","690575","Present",NA,NA
+"18335","2H11-1E11 antibody",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H11-1E11 antibody",NA,NA,NA,NA,NA,"PDBC18335","740293","Present",NA,NA
+"18336","2M-719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2M-719",NA,"CC1(C2CCC(O1)(C(=O)OC2=O)C)C","NSSRDPPMRIIGCQ-UHFFFAOYSA-N",392706,NA,"PDBC18336","693423","Present",NA,NA
+"18337","2Me-10Oxothiazoloacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2Me-10Oxothiazoloacridine",NA,"CC1=NC2=C(S1)C=C3C(=C2)NC4=CC=CC=C4C3=O","UYKDXAGVOUDQQR-UHFFFAOYSA-N",372425,NA,"PDBC18337","647538","Present",NA,NA
+"18338","2N-738",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2N-738",NA,"CC1=C(C(=NC(=N1)SC)Cl)CCCl","BMJPWOWQPVBEDT-UHFFFAOYSA-N",378326,NA,"PDBC18338","660335","Present",NA,NA
+"18339","2N2Ph-S-4ClPh",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2N2Ph-S-4ClPh",NA,NA,NA,NA,NA,"PDBC18339","627711","Present",NA,NA
+"18340","2[(3,7-Diamino quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2[(3,4-dicloro)benzylamino]-3-phenyl-5,7-diamino quinoxa...",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NCC4=CC(=C(C=C4)Cl)Cl)N)N","NNGOKNNYOCPIFG-UHFFFAOYSA-N",24203445,NA,"PDBC18340","728038","Present",NA,NA
+"18341","2[4'Aminobiphenyl]5,6dichlorobenzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2[4'aminobiphenyl]5,6dichlorobenzimidazole",NA,"C1=CC(=CC=C1C2=CC=C(C=C2)N)C3=NC4=CC(=C(C=C4N3)Cl)Cl","ZDMGQQVDRCHQSE-UHFFFAOYSA-N",24205088,NA,"PDBC18341","734231","Present",NA,NA
+"18342","2[4'Aminonaphtyl]5methylbenzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2[4'aminonaphtyl]5methylbenzimidazole",NA,"CC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C4=CC=CC=C43)N","HHBCXAIQUVMGAI-UHFFFAOYSA-N",24205087,NA,"PDBC18342","734230","Present",NA,NA
+"18343","2[4-(Fluoro)phenoxy]-3-phenyl-5,7-diaminoquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2[4-(fluoro)phenoxy]-3-phenyl-5,7-diaminoquinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2OC4=CC=C(C=C4)F)N)N","MBKJCNYBKFBOEH-UHFFFAOYSA-N",24204258,NA,"PDBC18343","731128","Present",NA,NA
+"18344","2[5(2-Thiophenaldehyde-5-yl)p-phenylene]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2[5(2-Thiophenaldehyde-5-yl)p-phenylene]benzimidazole",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C4=CC=C(S4)C=O","RNIHRDPOMOQIAI-UHFFFAOYSA-N",24203654,NA,"PDBC18344","729029","Present",NA,NA
+"18345","2[5(2-Thiophenaldehyde-5-yl)p-phenylene]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2[5(2-thiophenaldehyde-5-yl)p-phenylene]benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(S4)C=O","QVDOFKBKRDXAQC-UHFFFAOYSA-N",24203187,NA,"PDBC18345","727093","Present",NA,NA
+"18346","2[5(Thieno-2-yl1,1-dicyanoethylene)p-phenylene]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2[5(thieno-2-yl1,1-dicyanoethylene)p-phenylene]benzothia...",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(S4)C=C(C#N)C#N","XNVUIVQBHLYOGC-UHFFFAOYSA-N",24203188,NA,"PDBC18346","727094","Present",NA,NA
+"18347","2[5H]-Furanone,(S)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ranunculin (8ci)",NA,"C1=CC(=O)OC1COC2C(C(C(C(O2)CO)O)O)O","TYWXNGXVSZRXNA-ANYYLMFCSA-N",5459107,NA,"PDBC18347","616960","Present",NA,NA
+"18348","2[[4-(Methoxy)phenyl]aminomethyl]-6,8-diaminoquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2[[4-(methoxy)phenyl]aminomethyl]-6,8-diaminoquinoxaline",NA,"COC1=CC=C(C=C1)CNC2=NC3=C(C=C(C=C3N=C2)N)N","CCSMHKYQILDXAQ-UHFFFAOYSA-N",24204637,NA,"PDBC18348","732389","Present",NA,NA
+"18349","2a-(Acetyloxy)-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2a-(Acetyloxy)-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylic acid",NA,"CC(=O)OC12C(C(C1C(=O)O)C(=O)O)C3=CC=CC=C3C4=CC=CC=C24","AVZSESMPTLEEHD-UHFFFAOYSA-N",372339,NA,"PDBC18349","647397","Present",NA,NA
+"18350","2alpha,3-Bis(4-chlorophenyl)-5beta-(ethylthiomethyl)tetrahydrofuran-3alpha-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3S,5S)-2,3-Bis(4-chlorophenyl)-5-(ethylsulfanylmethyl)oxolan-3-ol",NA,"CCSCC1CC(C(O1)C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O","MZQWGRUXGQLQIR-OTWHNJEPSA-N",24950062,NA,"PDBC18350","743046","Present",NA,NA
+"18351","2alpha,3-Bis(4-fluorophenyl)-5beta-(ethylthiomethyl)tetrahydrofuran-3alpha-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3S,5S)-5-(Ethylsulfanylmethyl)-2,3-bis(4-fluorophenyl)oxolan-3-ol",NA,"CCSCC1CC(C(O1)C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O","KSWBTGHFYZZVQQ-OTWHNJEPSA-N",24901217,NA,"PDBC18351","743047","Present",NA,NA
+"18352","2alpha,3-Diphenyl-5beta-(ethylthiomethyl)tetrahydrofuran-3alpha-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2R,3S,5S)-5-(Ethylsulfanylmethyl)-2,3-diphenyloxolan-3-ol",NA,"CCSCC1CC(C(O1)C2=CC=CC=C2)(C3=CC=CC=C3)O","RUUWBZKPWQALDA-OTWHNJEPSA-N",45028501,NA,"PDBC18352","743045","Present",NA,NA
+"18353","2alpha,3alpha-Diphenyl-6-hydroxy-4-morpholinecarboxylic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686510",NA,"CC(C)(C)OC(=O)N1CC(OC(C1C2=CC=CC=C2)C3=CC=CC=C3)O","YNCJNOIKMJWBMP-JLMCIHFGSA-N",389882,NA,"PDBC18353","686510","Present",NA,NA
+"18354","2alpha,5beta-Bis(5-bromo-1H-indole-3-yl)piperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole, 3,3'-(2,5-piperazinediyl)bis(5-bromo-, trans-",NA,"C1C(NCC(N1)C2=CNC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br","LLFCFVFHRMTXOG-BGYRXZFFSA-N",6712395,NA,"PDBC18354","679834","Present",NA,NA
+"18355","2alpha-(4-Hydroxyphenyl)-5-[(E)-3-oxo-3-methoxy-1-propenyl]-2,3-dihydrobenzofuran-3beta-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S,3S)-2-(4-hydroxyphenyl)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate",NA,"COC(=O)C=CC1=CC2=C(C=C1)OC(C2C(=O)OC)C3=CC=C(C=C3)O","OHPHDTVMEYVQCA-NSEXEMKPSA-N",5468718,NA,"PDBC18355","675006","Present",NA,NA
+"18356","2alpha-Methylcortisol acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Corticosterone, 17-hydroxy-2.alpha.-methyl-, 21-acetate",NA,"CC1CC2(C3C(CCC2=CC1=O)C4CCC(C4(CC3O)C)(C(=O)COC(=O)C)O)C","IKJVLEFNIBROAJ-GUTMJZMYSA-N",223250,NA,"PDBC18356","12602","Present",NA,NA
+"18357","2alpha-Propargyl-3beta-hydroxylupa-20(29)-ene-28-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791847",NA,"CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(CC(C(C5(C)C)O)CC#C)C)C)C(=O)O","LKVUJKQFDKDRNW-IFEISFGFSA-N",132936817,NA,"PDBC18357","791847","Present",NA,NA
+"18358","2beta,4,17-Trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2.beta.,3.beta.-Epoxyestr-5(10)-en-1,4,17-trione",NA,"CC12CCC3C(C1CCC2=O)CCC4=C3C(=O)C5C(C4=O)O5","QIEIWVFVOIJSOH-LGTYMXBSSA-N",404215,NA,"PDBC18358","720382","Present",NA,NA
+"18359","2beta-(2-Methoxyphenyl)-2,3,3abeta,4,6,6a-hexahydro-1H-thieno[3,4-b]pyrrole-6abeta-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(2r,3as,6as)-2-(2-methoxyphenyl)-1,2,3,3a,4,6-hexahydrothieno[3,4-b]pyrrole-6a-carboxylate",NA,"COC1=CC=CC=C1C2CC3CSCC3(N2)C(=O)OC","AZWXUVDULOWXDF-HCKVZZMMSA-N",396298,NA,"PDBC18359","702005","Present",NA,NA
+"18360","2beta-(3,4-Dimethoxyphenyl)-5-[(E)-2-(methoxycarbonyl)ethenyl]-7-methoxy-2,3-dihydrobenzofuran-3alpha-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzofurancarboxylic acid, 2-(3,4-dimethoxyphenyl)-2,3...",NA,"COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC)C(=O)OC)OC","PSIYZHFYCJVWJB-ULJFZEHQSA-N",10788645,NA,"PDBC18360","791871","Present",NA,NA
+"18361","2k2s,s?",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2k2s,s?",NA,NA,NA,NA,NA,"PDBC18361","760474","Present",NA,NA
+"18362","2m2pm",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2m2pm",NA,"C[N+]1=CC=CC=C1C=CC2=CC=C(C=C2)N(C)C.[I-]","XPOIQAIBZGSIDD-UHFFFAOYSA-M",54601194,NA,"PDBC18362","10517","Present",NA,NA
+"18363","2nd Precursor Intermediate to TDP 665759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2nd Precursor Intermediate to TDP 665759",NA,"CC(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N2C(C(=NC3=C(C2=O)C=C(C=C3)I)OCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl","BBVKBPDBDNFHQH-OLILMLBXSA-N",155808493,NA,"PDBC18363","756878","Present",NA,NA
+"18364","3'',4''-Diacetylafzelin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SL-0101",NA,"CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC=C(C=C4)O)O)OC(=O)C)OC(=O)C","SXOZSDJHGMAEGZ-UHFFFAOYSA-N",14825856,NA,"PDBC18364","703081","Present",NA,NA
+"18365","3',3'''-Dithio-[3,3''-dithiobis(6,6'-dimethoxybiphenyl-2,2'-diol)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,12,15,24-Tetramethoxy-7,8,19,20-tetrathiapentacyclo[19.3.1.12,6.19,13.114,18]octacosa-1(24),2,4,6(28),9(27),10,12,14,16,18(26),21(25),22-dodecaene-25,26,27,28-tetrol",NA,"COC1=C2C3=C(C=CC(=C3O)SSC4=C(C(=C(C=C4)OC)C5=C(C=CC(=C5O)SSC(=C2O)C=C1)OC)O)OC","SHTIVYHBZQHROY-UHFFFAOYSA-N",402151,NA,"PDBC18365","716011","Present",NA,NA
+"18366","3',4'-Dimethoxy-7-hydroxy-8-methylisoflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3',4'-Dimethoxy-7-hydroxy-8-methylisoflavan",NA,"CC1=C(C=CC2=C1OCC(C2)C3=CC(=C(C=C3)OC)OC)O","OFRBAEIYLSMBIS-UHFFFAOYSA-N",353131,NA,"PDBC18366","600291","Present",NA,NA
+"18367","3',4'-Ethylendithio-avarone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3',4'-Ethylendithio-avarone",NA,"CC1CCC2(C(C1(C)CC3=CC(=O)C4C(C3=O)SCCS4)CCC=C2C)C","AXFPIUJESBLGJQ-LZMUAGCCSA-N",6712611,NA,"PDBC18367","700504","Present",NA,NA
+"18368","3',4'-dimethoxy-4-methylchalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3',4'-dimethoxy-4-methylchalcone",NA,"CC1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)OC)OC","MBFUXAKECSBERE-CSKARUKUSA-N",5721486,NA,"PDBC18368","749221","Present",NA,NA
+"18369","3',4-Dihydroxy-3,4',5-trimethoxy-6'-methyl chalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3',4-Dihydroxy-3,4',5-trimethoxy-6'-methyl chalcone",NA,"CC1=CC(=C(C=C1C(=O)C=CC2=CC(=C(C(=C2)OC)O)OC)O)OC","IYFJRILZYVZKHH-AATRIKPKSA-N",5459193,NA,"PDBC18369","641521","Present",NA,NA
+"18370","3',5'''-Dihydroxyrobustaflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5',3'''-dihydroxy-robustaflavona",NA,"C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C(=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O)O)O","JMMCAUBTQWVZOE-UHFFFAOYSA-N",5469100,NA,"PDBC18370","683137","Present",NA,NA
+"18371","3',5'-Dichloromethotrexate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dichloroamethopterin",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl","MCEHFIXEKNKSRW-UHFFFAOYSA-N",31010,NA,"PDBC18371","29630","Present",NA,NA
+"18372","3'-(2-Hydroxy-2-adamantyl)spiro[adamantane-2,5'-tetrahydrofuran]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-(2-Hydroxy-2-adamantyl)spiro[adamantane-2,5'-oxolane]-2'-one",NA,"C1C2CC3CC1CC(C2)C34CC(C(=O)O4)C5(C6CC7CC(C6)CC5C7)O","LLHZVXNVHFKRNL-UHFFFAOYSA-N",375825,NA,"PDBC18372","656073","Present",NA,NA
+"18373","3'-(p-Chlorobenzoyl)spiro(indoline-3,2'-oxiran)-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[3H-indole-3,2'-oxirane]-2-one, 3'- (4-chlorophenyl...",NA,"C1=CC=C2C(=C1)C3(C(O3)C(=O)C4=CC=C(C=C4)Cl)C(=O)N2","JGPRLTQNSPLADH-UHFFFAOYSA-N",359733,NA,"PDBC18373","621179","Present",NA,NA
+"18374","3'-Amino-4'-methoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Amino-4'-methoxyflavone",NA,"COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)N","MREGTIYNMVRPMI-UHFFFAOYSA-N",366283,NA,"PDBC18374","634633","Present",NA,NA
+"18375","3'-Benzoyl-5,7-dichlorospiro[1H-indole-3,2'-oxirane]-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Benzoyl-5,7-dichlorospiro[1H-indole-3,2'-oxirane]-2-one",NA,"C1=CC=C(C=C1)C(=O)C2C3(O2)C4=C(C(=CC(=C4)Cl)Cl)NC3=O","FTUTYMVOKVWCIV-UHFFFAOYSA-N",366631,NA,"PDBC18375","635306","Present",NA,NA
+"18376","3'-Benzoylspiro[indoline-3,2'-oxirane]-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Benzoylspiro[1H-indole-3,2'-oxirane]-2-one",NA,"C1=CC=C(C=C1)C(=O)C2C3(O2)C4=CC=CC=C4NC3=O","BOOIGQMUXQLUDZ-UHFFFAOYSA-N",359738,NA,"PDBC18376","621184","Present",NA,NA
+"18377","3'-C-Ethinylcytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-C-ethinylcytidine",NA,"C#CC1(C(OC(C1O)N2C=CC(=NC2=O)N)CO)O","JFIWEPHGRUDAJN-UHFFFAOYSA-N",405420,NA,"PDBC18377","722662","Present",NA,NA
+"18378","3'-C-Ethynylcytidylyl-(5'->1)-2-O-octadecyl-sn-glycerylyl-(3->5')-5-fluoro-2'-deoxyuridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-C-ethynylcytidylyl-(5'->1)-2-O-octadecyl-sn-glyceryly...",NA,"CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O","UHJJESPRAOPJRE-UHFFFAOYSA-N",24202802,NA,"PDBC18378","725986","Present",NA,NA
+"18379","3'-C-Ethynylcytidylyl-(5'->5')-5-fluoro-2'-deoxyuridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-C-ethynylcytidylyl-(5'->5')-5-fluoro-2'-deoxyuridine",NA,"C#CC1(C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O)O","VBMGTDYZLRFRRJ-UHFFFAOYSA-N",24202801,NA,"PDBC18379","725985","Present",NA,NA
+"18380","3'-Carboxypropionyl-(Z)-combretastatin A-4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Carboxypropionyl-(Z)-combretastatin A-4",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC(=O)CCC(=O)O","BRHUMXPSUSFJQJ-WAYWQWQTSA-N",5466667,NA,"PDBC18380","640519","Present",NA,NA
+"18381","3'-Chloro-2-hydroxy-2'-methyl-3-nitrobenzanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Chloro-3-nitro-o-salicylotoluidide",NA,"CC1=C(C=CC=C1Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","AHMRPRVEPUCPGA-UHFFFAOYSA-N",332278,NA,"PDBC18381","328477","Present",NA,NA
+"18382","3'-Chloroflavanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Chloroflavanone",NA,"C1C(OC2=CC=CC=C2C1=O)C3=CC(=CC=C3)Cl","MJHFWRDRSUAJIU-UHFFFAOYSA-N",242064,NA,"PDBC18382","50189","Present",NA,NA
+"18383","3'-Deoxy-3'-fluorothymidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-fluorothymidine",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)F","UXCAQJAQSWSNPQ-UHFFFAOYSA-N",284240,NA,"PDBC18383","140025","Present",NA,NA
+"18384","3'-Fluoroacetophenoneisonicotinoylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-fluoroacetophenoneisonicotinoylhydrazone",NA,"CC(=NNC(=O)C1=CC=NC=C1)C2=CC(=CC=C2)F","VYHUBJBKUBHBLB-LICLKQGHSA-N",9555930,NA,"PDBC18384","655517","Present",NA,NA
+"18385","3'-Hydroxycyclohex-1'-eno-1',17-3-O-methylestra-1,3,5(10),16(16H)-tetraen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Hydroxycyclohex-1'-eno-1',6':16,17-3-O-methylestra-1,...",NA,"CC12CCC3C(C1CC4C2=CC(CC4)O)CCC5=C3C=CC(=C5)OC","FUKCPUJNQFECFK-UHFFFAOYSA-N",24205249,NA,"PDBC18385","734746","Present",NA,NA
+"18386","3'-Hydroxydaunorubicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Hydroxydaunorubicin",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)O)O","QAFPIRVGDWNCDV-JYZNYWJRSA-N",323563,NA,"PDBC18386","284682","Present",NA,NA
+"18387","3'-O-(Carboxymethyl)-(Z)-Combretastatin 4-A, hydrate [1:1:2]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-O-(Carboxymethyl)-(Z)-Combretastatin 4-A, Na salt, hy...",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)O.[Na+]","WEGDYWKRFGTGAR-YSMBQZINSA-N",54611297,NA,"PDBC18387","643813","Present",NA,NA
+"18388","3'-O-Demethylpervilleanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-O-Demethylpervilleanone",NA,"CC(C)(C=C)C1=C(C(=C(C(=C1)C2COC3=C(C2=O)C=CC(=C3)O)O)O)OC","KNQQUXVBDOWOCQ-AWEZNQCLSA-N",401430,NA,"PDBC18388","715085","Present",NA,NA
+"18389","3'-O-Methyl-evomonoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neriifolin",NA,"CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O","VPUNMTHWNSJUOG-VZCPFXLZSA-N",276293,NA,"PDBC18389","123976","Present",NA,NA
+"18390","3'a,5'-Dimethyl-3'-methylidene-1'-trimethylsilylspiro[cyclopropane-1,4'-pentalene]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'a,5'-Dimethyl-3'-methylidene-1'-trimethylsilylspiro[cyclopropane-1,4'-pentalene]-2'-one",NA,"CC1=CC2=C(C(=O)C(=C)C2(C13CC3)C)[Si](C)(C)C","OKTPDGYISLYJGZ-UHFFFAOYSA-N",403718,NA,"PDBC18390","718919","Present",NA,NA
+"18391","3(2H)-Benzoxazoleacetamide, 6-(4-morpholinylacetyl)-2-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3(2H)-Benzoxazoleacetamide, 6-(4-morpholinylacetyl)-2-oxo-",NA,"C1COCCN1CC(=O)C2=CC3=C(C=C2)N(C(=O)O3)CC(=O)N","FSJNTAJRSLPAQQ-UHFFFAOYSA-N",391452,NA,"PDBC18391","690656","Present",NA,NA
+"18392","3(2H)-Isothiazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isothiazolone",NA,"C1=CSNC1=O","MGIYRDNGCNKGJU-UHFFFAOYSA-N",96917,NA,"PDBC18392","93489","Present",NA,NA
+"18393","3(2H)-Pyridazinone, 4,5-dihydro-2-(2-benzothiazolyl)-6-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3(2H)-Pyridazinone, 2-(2-benzothiazolyl)-6-phenyl",NA,"C1CC(=O)N(N=C1C2=CC=CC=C2)C3=NC4=CC=CC=C4S3","VJJUKKBNPFYKGX-UHFFFAOYSA-N",364042,NA,"PDBC18393","629659","Present",NA,NA
+"18394","3, 1,7-Bis(dimethylamino)-4-[(4-hydroxyphenyl)methylene]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Heptanedione, 1,7-bis(dimethylamino)-4-[(4-hydroxyph...",NA,"CN(C)CCC(=O)C(=CC1=CC=C(C=C1)O)C(=O)CCN(C)C.Cl","UKAOASHQFBVNOC-UHFFFAOYSA-N",54607616,NA,"PDBC18394","340307","Present",NA,NA
+"18395","3, 4',4''-Di-2-imidazolin-2-yl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Pyridinedicarboxanilide, 4',4''-di-2-imidazolin-2-yl...",NA,"C1CN=C(N1)C2=CC=C(C=C2)NC(=O)C3=CC(=CN=C3)C(=O)NC4=CC=C(C=C4)C5=NCCN5.Cl","WJAIRRQHWSZBGH-UHFFFAOYSA-N",54609656,NA,"PDBC18395","63697","Present",NA,NA
+"18396","3,10,10c-Trimethyl-5-methylene-2,3,4b,5,6,7,10b,10c-octahydrooxireno[2'',3'':6',7']indeno[5',4':3,4]cyclohepta[1,2-b]furan-4(1aH)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7,17-Trimethyl-11-methylidene-3,15-dioxapentacyclo[8.8.0.02,4.05,9.014,18]octadeca-5(9),14(18),16-trien-8-one",NA,"CC1CC2=C(C1=O)C3C(C4=C(CCC3=C)OC=C4C)C5(C2O5)C","NYOZISPQGMMMQQ-UHFFFAOYSA-N",368921,NA,"PDBC18396","640326","Present",NA,NA
+"18397","3,10-Dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,10-Dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol;iodide",NA,"C[N+]12CCC3=CC(=C(C=C3C1CC4=C(C2)C(=C(C=C4)OC)O)O)OC.[I-]","FMZMCTQXCZYFMH-UHFFFAOYSA-N",389052,NA,"PDBC18397","684672","Present",NA,NA
+"18398","3,10-Dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,10-Dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione",NA,"CC1=CC=C(C=C1)S(=O)(=O)C(C2C3=CC=CC=C3N(C4=C2C(=O)N(C(=O)N4)C)C)SC","BVRBLYUZQUMELI-UHFFFAOYSA-N",370134,NA,"PDBC18398","642724","Present",NA,NA
+"18399","3,10-Dimethyl-7-(4-nitrophenyl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,10-Dimethyl-7-(4-nitrophenyl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene",NA,"CN1CCC2=C1C3=C(N=C2C4=CC=C(C=C4)[N+](=O)[O-])N(CC3)C","LSEPAJZJDIHBAY-UHFFFAOYSA-N",359466,NA,"PDBC18399","620331","Present",NA,NA
+"18400","3,10-Dimethyl-7-phenyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,10-Dimethyl-7-phenyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene",NA,"CN1CCC2=C1C3=C(N=C2C4=CC=CC=C4)N(CC3)C","QVQFTJNZZABFBJ-UHFFFAOYSA-N",359464,NA,"PDBC18400","620329","Present",NA,NA
+"18401","3,10-Dimethyl-7-pyridin-3-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,10-Dimethyl-7-pyridin-3-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene",NA,"CN1CCC2=C1C3=C(N=C2C4=CN=CC=C4)N(CC3)C","VZGWQQFANDKWAR-UHFFFAOYSA-N",359467,NA,"PDBC18401","620332","Present",NA,NA
+"18402","3,10a-Diphenyl-5a,6,7,8,9,9a-hexahydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]benzothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,10a-Diphenyl-5a,6,7,8,9,9a-hexahydro-5H-[1,2,4]oxadiazolo[5,4-b][1,3]benzothiazine",NA,"C1CCC2C(C1)CN3C(=NOC3(S2)C4=CC=CC=C4)C5=CC=CC=C5","HIYZCGIQTOFBHX-UHFFFAOYSA-N",373385,NA,"PDBC18402","649612","Present",NA,NA
+"18403","3,11,12-Trimethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,11,12-Trimethoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine",NA,"COC1=CC2=C(C=C1)C3CC4=CC(=C(C=C4CN3CCC2)OC)OC","INSURNUHNKZZSV-UHFFFAOYSA-N",384193,NA,"PDBC18403","673599","Present",NA,NA
+"18404","3,11,12-Trimethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,11,12-Trimethoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine",NA,"COC1=CC2=C(C=C1)C3CC4=CC(=C(C=C4CCN3CC2)OC)OC","VXYFAEIFTILDKD-UHFFFAOYSA-N",390002,NA,"PDBC18404","686925","Present",NA,NA
+"18405","3,11,19-Tribenzyl-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,11,19-Tribenzyl-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol",NA,"CC1=CC2=C(C(=C1)CN(CC3=CC(=CC(=C3O)CN(CC4=C(C(=CC(=C4)C)CN(C2)CC5=CC=CC=C5)O)CC6=CC=CC=C6)C)CC7=CC=CC=C7)O","DUKLXQLQDKXPKL-UHFFFAOYSA-N",380453,NA,"PDBC18405","666035","Present",NA,NA
+"18406","3,11-Bis(2-chloroethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,11-Bis(2-chloroethyl)-7,14,15-trithia-3,11-diazadispiro[5.1.58.26]pentadecane;hydrochloride",NA,"C1CN(CCC12SC3(CCN(CC3)CCCl)SS2)CCCl.Cl","DKTFRPYLLUKBMU-UHFFFAOYSA-N",54610551,NA,"PDBC18406","165757","Present",NA,NA
+"18407","3,11-Dibenzyl-7,14,15-trithia-3,11-diazadispiro(5.1.5.2)pentadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,11-Dibenzyl-7,14,15-trithia-3,11-diazadispiro(5.1.5.2)pentadecane",NA,"C1CN(CCC12SC3(CCN(CC3)CC4=CC=CC=C4)SS2)CC5=CC=CC=C5","XIXYUPPMRYETOB-UHFFFAOYSA-N",250320,NA,"PDBC18407","69574","Present",NA,NA
+"18408","3,11-Dimethoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,11-Dimethoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,"COC1=CC2=C(C=C1)C3C(CC4=C(O3)C(=CC=C4)OC)CO2","QONYJPVWFVAWAW-UHFFFAOYSA-N",387590,NA,"PDBC18408","681599","Present",NA,NA
+"18409","3,11-Dioxa-5,6,8,9-tetraazatridecane-6,8-dicarboxylic acid, 7-(1-cyclohexen-1-ylcarbonyl)-4,10-dioxo-, diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[2-(cyclohexen-1-yl)-1-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-oxoethyl]-N-(ethoxycarbonylamino)carbamate",NA,"CCOC(=O)NN(C(C(=O)C1=CCCCC1)N(C(=O)OCC)NC(=O)OCC)C(=O)OCC","RAAZNIDOKHNNIY-UHFFFAOYSA-N",379770,NA,"PDBC18409","664744","Present",NA,NA
+"18410","3,11-Dioxa-5,6,8,9-tetraazatridecane-6,8-dicarboxylic acid, 7-(4-morpholinylphenylmethylene)-4,10-dioxo-, diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(ethoxycarbonylamino)-N-[1-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-morpholin-4-yl-2-phenylethenyl]carbamate",NA,"CCOC(=O)NN(C(=C(C1=CC=CC=C1)N2CCOCC2)N(C(=O)OCC)NC(=O)OCC)C(=O)OCC","OFPTYUHCSCUONK-UHFFFAOYSA-N",378340,NA,"PDBC18410","660406","Present",NA,NA
+"18411","3,11-Dioxa-5,6,8,9-tetraazatridecane-6,8-dicarboxylic acid, 7-benzoyl-4,10-dioxo-, diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,11-Dioxa-5,6,8,9-tetraazatridecane-6,8-dicarboxylic acid, 7-benzoyl-4,10-dioxo-, diethyl ester",NA,"CCOC(=O)NN(C(C(=O)C1=CC=CC=C1)N(C(=O)OCC)NC(=O)OCC)C(=O)OCC","ZARWAQZVKVBWJA-UHFFFAOYSA-N",378341,NA,"PDBC18411","660407","Present",NA,NA
+"18412","3,11-dioxopregna-4,16-dien-21-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,11-dioxopregna-4,16-dien-21-oic acid",NA,"CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CC=C4CC(=O)O)C","QZBWVBCUNAJAMC-UHFFFAOYSA-N",257634,NA,"PDBC18412","86008","Present",NA,NA
+"18413","3,12,21,28-Tetrahydroxy-2,13-bis(hydroxymethyl)-19,30-dimethyl-36,37-dioxo-16,33,35,38-tetraoxa-7,8,24,25-tetrazaheptacyclo[29.3.2.214,18.05,34.010,15.017,22.027,32]octatriaconta-1(34),2,4,6,8,10,12,14,17,19,21,23,25,27,29,31-hexadecaene-4,11-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,12,21,28-Tetrahydroxy-2,13-bis(hydroxymethyl)-19,30-dimethyl-36,37-dioxo-16,33,35,38-tetraoxa-7,8,24,25-tetrazaheptacyclo[29.3.2.214,18.05,34.010,15.017,22.027,32]octatriaconta-1(34),2,4,6,8,10,12,1",NA,"CC1=CC(=C2C=NN=CC3=C(C=C(C4=C3OC5=C(C(=C(C(=C5C=NN=CC6=C(C(=C(C7=C6OC2=C1C(=O)O7)CO)O)C(=O)O)C(=O)O)O)CO)OC4=O)C)O)O","DUEMNKHDXDFLDH-UHFFFAOYSA-N",135429960,NA,"PDBC18413","626807","Present",NA,NA
+"18414","3,12-Dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5^{9}.2^{6}]hexadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,12-Dibenzyl-7,8,15,16-tetrathia-3,12-diazadispiro[5.2.5^{9}.2^{6}]hexadecane",NA,"C1CN(CCC12SSC3(CCN(CC3)CC4=CC=CC=C4)SS2)CC5=CC=CC=C5","AUQNOKYVIFHLOF-UHFFFAOYSA-N",250319,NA,"PDBC18414","69573","Present",NA,NA
+"18415","3,13,18-Pentaazapentacosane pentahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,8,13,18-pentaazapentacosane pentahydrochloride",NA,"CCNCCCCNCCCCNCCCCNCCCCNCC.Cl","FNXLPUOFFCHCQF-UHFFFAOYSA-N",368997,NA,"PDBC18415","640506","Present",NA,NA
+"18416","3,13,23-Triazahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-2(10),4,6,8,16(24),17,19,21-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,13,23-Triazahexacyclo[11.11.0.02,10.04,9.016,24.017,22]tetracosa-2(10),4,6,8,16(24),17,19,21-octaene",NA,"C1CN2CCC3=C(C2C4=C1C5=CC=CC=C5N4)NC6=CC=CC=C36","CBYUPEUUWZKYGF-UHFFFAOYSA-N",385013,NA,"PDBC18416","675867","Present",NA,NA
+"18417","3,13-Diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,13-Diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,11,14,16,18-nonaene",NA,"C1=CC=C2C(=C1)C=C3N2C=CC4=C3NC5=CC=CC=C45","UTUZVAKIUKPDGD-UHFFFAOYSA-N",378605,NA,"PDBC18417","661245","Present",NA,NA
+"18418","3,13-Diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4,6,8,14,16,18-heptaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,13-Diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4,6,8,14,16,18-heptaene",NA,"C1CN2C(CC3=CC=CC=C32)C4=C1C5=CC=CC=C5N4","JXLJUGQFVXSCIO-UHFFFAOYSA-N",378609,NA,"PDBC18418","661249","Present",NA,NA
+"18419","3,13-Dichloro-5,11-diphenyl-17H,19H-quino[2,1-b]quino[1',2':1,2]pyrimido[5,4-g]quinazoline-17,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,25-Dichloro-12,22-diphenyl-5,15,19,29-tetrazaheptacyclo[16.12.0.03,16.05,14.06,11.020,29.023,28]triaconta-1(18),2,6(11),7,9,12,14,16,19,21,23(28),24,26-tridecaene-4,30-dione",NA,"C1=CC=C(C=C1)C2=CC3=NC4=CC5=C(C=C4C(=O)N3C6=C2C=C(C=C6)Cl)C(=O)N7C8=C(C=C(C=C8)Cl)C(=CC7=N5)C9=CC=CC=C9","PGJVXDXLEUSDDQ-UHFFFAOYSA-N",389837,NA,"PDBC18419","686469","Present",NA,NA
+"18420","3,13-Dihydroxy-5-(1-phenyltetrazol-5-yl)oxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,13-Dihydroxy-5-(1-phenyltetrazol-5-yl)oxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carbaldehyde",NA,"C1CC2C3CC4=C(C2(CCN3C=O)CC1O)C(=CC(=C4)OC5=NN=NN5C6=CC=CC=C6)O","FTZMSPHFNOLQKD-UHFFFAOYSA-N",398574,NA,"PDBC18420","708544","Present",NA,NA
+"18421","3,13-Dimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,13-Dimethoxy-5,6,8,9,10,14b-hexahydroisoquino[1,2-a][2]benzazepine",NA,"COC1=CC2=C(C=C1)C3C4=C(CCCN3CC2)C=CC(=C4)OC","VECFKPDPKZLUIV-UHFFFAOYSA-N",390001,NA,"PDBC18421","686924","Present",NA,NA
+"18422","3,14,19-Tripropionylandrographolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,14,19-tripropionylandrographolide",NA,"CCC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)CC)C)CC=C3C(COC3=O)OC(=O)CC)C","JBWIJDKKWLFZGD-YBFXNURJSA-N",60147888,NA,"PDBC18422","752811","Present",NA,NA
+"18423","3,14,25-Trioxa-11,17,31-triazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,10,17,19,21,23,27,29-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,14,25-Trioxa-11,17,31-triazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,10,17,19,21,23,27,29-undecaene",NA,"C1COCCN=CC2=CC=CC=C2OCC3=CC=CC(=N3)COC4=CC=CC=C4C=N1","DSHVOUCGIOLILK-UHFFFAOYSA-N",403700,NA,"PDBC18423","718891","Present",NA,NA
+"18424","3,14-Dimethyl-3,14-diazahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-2(10),4,6,8,13(21),15,17,19-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,14-Dimethyl-3,14-diazahexacyclo[10.10.0.02,10.04,9.013,21.015,20]docosa-2(10),4,6,8,13(21),15,17,19-octaene",NA,"CN1C2=CC=CC=C2C3=C1C4CC5=C(C4C3)N(C6=CC=CC=C56)C","HZQZIMXMZLPAHS-UHFFFAOYSA-N",376256,NA,"PDBC18424","656964","Present",NA,NA
+"18425","3,16-Bis(acetyloxy)-14-hydroxybufa-20,22-dienolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bufotalin 3-acetate",NA,"CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CC(C4C5=COC(=O)C=C5)OC(=O)C)O)C)C","NHHVQEFHQTULER-UHFFFAOYSA-N",282304,NA,"PDBC18425","135689","Present",NA,NA
+"18426","3,18-Diazaoctacyclo[18.11.1.02,19.04,17.05,14.07,12.024,32.026,31]dotriaconta-1(32),2,4(17),5(14),7,9,11,15,18,20,22,24,26,28,30-pentadecaene-6,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,18-Diazaoctacyclo[18.11.1.02,19.04,17.05,14.07,12.024,32.026,31]dotriaconta-1(32),2,4(17),5(14),7,9,11,15,18,20,22,24,26,28,30-pentadecaene-6,13-dione",NA,"C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=NC6=C(C=CC7=C6C(=O)C8=CC=CC=C8C7=O)N=C45","OFLTUWFBLHCGDV-UHFFFAOYSA-N",395929,NA,"PDBC18426","701024","Present",NA,NA
+"18427","3,18-Dolabelladiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-epoxy-14-oxo-7,18-dolabelladiene",NA,"CC1=CCCC2(C(O2)CC3(C(CC1)C(CC3=O)C(=C)C)C)C","GUSAEAVUMKCIQK-LQRBVDFWSA-N",54608901,NA,"PDBC18427","669388","Present",NA,NA
+"18428","3,19-(4-Acetamido)benzylidineandrographolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,19-(4-Acetamido)benzylidineandrographolide",NA,"CC(=O)NC1=CC=C(C=C1)C2OCC3(C4CCC(=C)C(C4(CCC3O2)C)CC=C5C(COC5=O)O)C","JRUYXDLLFDTYPR-UFFVCSGVSA-N",54612901,NA,"PDBC18428","747452","Present",NA,NA
+"18429","3,19-Benzylidine-14-deoxy-11,12-didehydroandrographolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,19-Benzylidine-14-deoxy-11,12-didehydroandrographolide",NA,"CC12CCC3C(C1CCC(=C)C2C=CC4=CCOC4=O)(COC(O3)C5=CC=CC=C5)C","HEEUHXCCISZILV-ZHACJKMWSA-N",54612900,NA,"PDBC18429","747451","Present",NA,NA
+"18430","3,2':3',3''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27121894",NA,"C1=CSC=C1C2=C(SC=C2)C3=CSC=C3","NVKLSOLRWOMZLC-UHFFFAOYSA-N",395539,NA,"PDBC18430","700230","Present",NA,NA
+"18431","3,2':4',3''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27121896",NA,"C1=CSC=C1C2=CC(=CS2)C3=CSC=C3","FMXXRLKHSAFAQY-UHFFFAOYSA-N",395538,NA,"PDBC18431","700229","Present",NA,NA
+"18432","3,2':5',3''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AI-942/13331618",NA,"C1=CSC=C1C2=CC=C(S2)C3=CSC=C3","OQKJYJOKTGKIRJ-UHFFFAOYSA-N",157751,NA,"PDBC18432","700223","Present",NA,NA
+"18433","3,2-Phenylenebis(methyleneoxy)] bisbenzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-[1,2-phenylenebis(methyleneoxy)] bisbenzonitrile",NA,"C1=CC=C(C(=C1)COC2=CC=CC(=C2)C#N)COC3=CC=CC(=C3)C#N","YLWZKWVGHGOWAG-UHFFFAOYSA-N",24203366,NA,"PDBC18433","727668","Present",NA,NA
+"18434","3,20-Dioxopregn-4-en-21-yl 4-bromobenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"170D343",NA,"CC12CCC3C(C1CCC2C(=O)COS(=O)(=O)C4=CC=C(C=C4)Br)CCC5=CC(=O)CCC35C","ZQNARVKYKGBJES-YNHSGCSHSA-N",259210,NA,"PDBC18434","88915","Present",NA,NA
+"18435","3,21-Dien-3beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-seco-D:B-friedobacchara-4,21-dien-3.beta.-ol",NA,"CC(=CCCC1(CCC2(C3CCC(=C(C)C)C(C3(CCC2(C1)C)C)CCCO)C)C)C","GEDCRNDZBLEQJG-GLEPPYJMSA-N",397877,NA,"PDBC18435","706729","Present",NA,NA
+"18436","3,21-Dien-3beta-ol acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-seco-D:B-friedobacchara-4,21-dien-3.beta.-ol acetate",NA,"CC(=CCCC1(CCC2(C3CCC(=C(C)C)C(C3(CCC2(C1)C)C)CCCOC(=O)C)C)C)C","YOHVGANXDZNQSU-MSOWXBGASA-N",397878,NA,"PDBC18436","706730","Present",NA,NA
+"18437","3,24-Dimethyl-3,12,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,16,18,20,22-nonaene-13,15-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13,14-Dimethyl-13,14-dihydroindolo[2,3-a]pyrimido[4,5-c]...",NA,"CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)NC(=O)NC4=O","HIVBKFUFSGTDOB-UHFFFAOYSA-N",155812229,NA,"PDBC18437","781339","Present",NA,NA
+"18438","3,24-Dimethyl-3,13,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,16,18,20,22-nonaene-12,15-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,24-Dimethyl-3,13,14,24-tetrazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1,4,6,8,10,16,18,20,22-nonaene-12,15-dione",NA,"CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)NNC4=O","UXQKFZQLUHACFP-UHFFFAOYSA-N",392069,NA,"PDBC18438","691881","Present",NA,NA
+"18439","3,28-Dioxa-11,14,17,20,34-pentazatetracyclo[28.3.1.04,9.022,27]tetratriaconta-1(34),4,6,8,10,20,22,24,26,30,32-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,28-Dioxa-11,14,17,20,34-pentazatetracyclo[28.3.1.04,9.022,27]tetratriaconta-1(34),4,6,8,10,20,22,24,26,30,32-undecaene",NA,"C1CNCCN=CC2=CC=CC=C2OCC3=CC=CC(=N3)COC4=CC=CC=C4C=NCCN1","RLSBXSOHZBSBCX-UHFFFAOYSA-N",393565,NA,"PDBC18439","695635","Present",NA,NA
+"18440","3,3''-(1,4-Phenylene)bis(4'-hydroxyacrylophenone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-Hydroxyphenyl)-3-[4-[(E)-3-(4-hydroxyphenyl)-3-oxo-prop-1-enyl]phenyl]prop-2-en-1-one",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)O)C=CC(=O)C3=CC=C(C=C3)O","BHUYEFNOZGAZPA-IAGONARPSA-N",5831509,NA,"PDBC18440","681133","Present",NA,NA
+"18441","3,3',4',5,6,7,8-Heptamethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxynobiletin",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC","SSXJHQZOHUYEGD-UHFFFAOYSA-N",150893,NA,"PDBC18441","618928","Present",NA,NA
+"18442","3,3',4,4',5-Pentamethoxybenzophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzophenone, 3,3',4,4',5-pentamethoxy- (8ci)",NA,"COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC","LEGVQFQAMCUMQW-UHFFFAOYSA-N",255605,NA,"PDBC18442","81274","Present",NA,NA
+"18443","3,3',4,4',5-Pentamethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(3,4-Dimethoxyphenyl)Ethenyl]-1,2,3-Trimethoxy Benzene",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC","KMCRDRIVRPRGHU-VOTSOKGWSA-N",5388059,NA,"PDBC18443","631355","Present",NA,NA
+"18444","3,3',4,5-Tetramethoxy-trans-stilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E) 3,3',4,5-Tetramethoxystilbene",NA,"COC1=CC=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","HDVYOENGFYGXCE-CMDGGOBGSA-N",5388772,NA,"PDBC18444","638490","Present",NA,NA
+"18445","3,3',5'(10'),6'-Tetraene-1 7'b-yl)cinnamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydroxy-N-(3'-methoxyestra-1',3',5'(10'),6'-tetrae...",NA,"CC12CCC3C(C1CCC2NC(=O)C=CC4=CC(=C(C=C4)O)O)C=CC5=C3C=CC(=C5)OC","UFYLEPGRBXFLEV-FEEXEYOXSA-N",24205536,NA,"PDBC18445","736118","Present",NA,NA
+"18446","3,3',5'(10')-3'-Ol-17b-yl) cinnamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydroxy-N-(3'-hydroxyestra-1',3',5'(10')-3'-ol-17b...",NA,"CC12CCC3C(C1CCC2NC(=O)C=CC4=CC(=C(C=C4)O)O)CCC5=C3C=CC(=C5)O","SNOHOJQXANXMFK-YAOYBVILSA-N",24205268,NA,"PDBC18446","734874","Present",NA,NA
+"18447","3,3',5'(10')-Trien-3'-o l-17'b-yl)phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydroxy-N-(3'-O-methyl)-estra-1',3',5'(10')-trien-...",NA,"CC12CCC3C(C1CCC2NC(=O)CC4=CC(=C(C=C4)O)O)CCC5=C3C=CC(=C5)OC","GLQVZGZOTLZSFW-AHKDFGCBSA-N",24205321,NA,"PDBC18447","735038","Present",NA,NA
+"18448","3,3'-((1E,4E)-3-Oxopenta-1,4-diene-1,5-diyl)diquinolin-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-((1E,4E)-3-Oxopenta-1,4-diene-1,5-diyl)diquinolin-2...",NA,"C1=CC=C2C(=C1)C=C(C(=O)N2)C=CC(=O)C=CC3=CC4=CC=CC=C4NC3=O","YLYMNHSJPWVJGC-WGDLNXRISA-N",60147682,NA,"PDBC18448","752193","Present",NA,NA
+"18449","3,3'-(4-Methoxybenzylidene)bis(5-bromo-1H-indole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-3-[(5-bromo-1H-indol-3-yl)-(4-methoxyphenyl)methyl]-1H-indole",NA,"COC1=CC=C(C=C1)C(C2=CNC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br","YIXZXOAVQZOEAS-UHFFFAOYSA-N",3745174,NA,"PDBC18449","679835","Present",NA,NA
+"18450","3,3'-(4-Nitrobenzylidene)di(1H-indole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK521919",NA,"C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=CNC5=CC=CC=C54","OESZGFYDUDJFLN-UHFFFAOYSA-N",345521,NA,"PDBC18450","403186","Present",NA,NA
+"18451","3,3'-(Methanediyldicyclohexane-4,1-diyl)bis[1-(2-chloroethyl)-1-nitrosourea]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, 1,1'-(methylenedi-4,1-cyclohexylene)bis[3-(2-chlor...",NA,"C1CC(CCC1CC2CCC(CC2)NC(=O)N(CCCl)N=O)NC(=O)N(CCCl)N=O","CHRJZHUVRKHISQ-UHFFFAOYSA-N",285728,NA,"PDBC18451","143147","Present",NA,NA
+"18452","3,3'-Bi-1H-indole, 1,1'-dihydroxy-2,2'-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Hydroxy-3-(1-hydroxy-2-phenyl-indol-3-yl)-2-phenyl-indole",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2O)C4=C(N(C5=CC=CC=C54)O)C6=CC=CC=C6","FEDWHEJCPSWIEH-UHFFFAOYSA-N",375837,NA,"PDBC18452","656085","Present",NA,NA
+"18453","3,3'-Bi[1-(methylthio)-6,7-dihydro-5H-2-pyrindine]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylsulfanyl-3-(1-methylsulfanyl-6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[c]pyridine",NA,"CSC1=C2CCCC2=CC(=N1)C3=NC(=C4CCCC4=C3)SC","ZPFIBNFIUVWPGD-UHFFFAOYSA-N",397514,NA,"PDBC18453","705812","Present",NA,NA
+"18454","3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-Biisoquinoline, 5,5',6,6',7,7',8,8'-octahydro-1,1'-bis(methylsulfonyl)-",NA,"CS(=O)(=O)C1=C2CCCCC2=CC(=N1)C3=NC(=C4CCCCC4=C3)S(=O)(=O)C","CNKBELNNPXLYDZ-UHFFFAOYSA-N",397515,NA,"PDBC18454","705813","Present",NA,NA
+"18455","3,3'-Diethyl-9-methylthiacarbocyanine iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-diethyl-9-methylthiacarbocyanine iodide",NA,"CCN1C2=CC=CC=C2SC1=CC(=CC3=[N+](C4=CC=CC=C4S3)CC)C.[I-]","SAEMBGFHGROQJZ-UHFFFAOYSA-M",6364517,NA,"PDBC18455","96932","Present",NA,NA
+"18456","3,3'-Diindolylmethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diindolylmethane",NA,"C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43","VFTRKSBEFQDZKX-UHFFFAOYSA-N",3071,NA,"PDBC18456","708486","Present",NA,NA
+"18457","3,3'-Dimethoxy-4,4'-dihydroxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-Dimethoxy-4,4'-dihydroxychalcone",NA,"COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=C(C=C2)O)OC)O","ZMQUJBYFGUNWFO-ZZXKWVIFSA-N",5468261,NA,"PDBC18457","666764","Present",NA,NA
+"18458","3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-Dimethyl-2,2',4,4',6,6'-hexanitrobiphenyl",NA,"CC1=C(C(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=C(C=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","YREWUMZAYZMEAP-UHFFFAOYSA-N",253522,NA,"PDBC18458","76523","Present",NA,NA
+"18459","3,3'-Disulfanediyldibenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VZ34844",NA,"C1=CC(=CC(=C1)SSC2=CC=CC(=C2)C(=O)O)C(=O)O","GFUOAUHUTVPUIJ-UHFFFAOYSA-N",270875,NA,"PDBC18459","113997","Present",NA,NA
+"18460","3,3'-Ditert-butyl-5,5'-dimethyl[1,1'-biphenyl]-4,4'-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC135463///NSC60666",NA,"CC1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=C(C(=C2)C)O)C(C)(C)C","UFFRXKCBFTZHIG-UHFFFAOYSA-N",246977,NA,"PDBC18460","135463///60666","Present",NA,NA
+"18461","3,3'-Ethylenebis[6-[(4-chlorophenoxy)methyl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(4-Chlorophenoxy)methyl]-3-[2-[6-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]ethyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC(=CC=C1OCC2=NN3C(=NN=C3S2)CCC4=NN=C5N4N=C(S5)COC6=CC=C(C=C6)Cl)Cl","KJEQPDXCVHAKAK-UHFFFAOYSA-N",400782,NA,"PDBC18461","713288","Present",NA,NA
+"18462","3,3'-Methylenebis(4,7-dihydroxy-2H-1-benzopyran-2-one)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4,7-Dihydroxy-2-oxo-2H-3-chromenylmethyl)-4,7-dihydroxy-2H-2-chromenone",NA,"C1=CC2=C(C=C1O)OC(=O)C(=C2O)CC3=C(C4=C(C=C(C=C4)O)OC3=O)O","ZCRYILRCCBOILO-UHFFFAOYSA-N",54680448,NA,"PDBC18462","682612","Present",NA,NA
+"18463","3,3'-Propylidenebis(5-bromo-1H-indole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-3-[1-(5-bromo-1H-indol-3-yl)propyl]-1H-indole",NA,"CCC(C1=CNC2=C1C=C(C=C2)Br)C3=CNC4=C3C=C(C=C4)Br","FZWXDAPIBWPJOJ-UHFFFAOYSA-N",401206,NA,"PDBC18463","714410","Present",NA,NA
+"18464","3,3'-Spirobi-2,2'-azadimethylene naphthopyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-Spirobi-2,2'-azadimethylene naphthopyran",NA,"C1C2=CC3=C(C4=CC=CC=C4C=C3)OC25C(=CC6=C(O5)C7=CC=CC=C7C=C6)CN1","JAQGTFGROJIVDW-UHFFFAOYSA-N",155811357,NA,"PDBC18464","756047","Present",NA,NA
+"18465","3,3'-[(1,3-Phenylene)bis(oxymethylene)]bis(4-amino-4H-1,2,4-triazole-5-thiol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-[[3-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]phenoxy]methyl]-1H-1,2,4-triazole-5-thione",NA,"C1=CC(=CC(=C1)OCC2=NNC(=S)N2N)OCC3=NNC(=S)N3N","WGQZBCJAMJKUBV-UHFFFAOYSA-N",5472204,NA,"PDBC18465","716900","Present",NA,NA
+"18466","3,3'-[(4-Methoxyphenyl)methylene]bis(4-hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-[(4-Methoxyphenyl)methylene]bis(4-hydroxy-6-methyl-5,6-dihydro-2H-pyran-2-one)",NA,"CC1CC(=C(C(=O)O1)C(C2=CC=C(C=C2)OC)C3=C(CC(OC3=O)C)O)O","XKDKYJWYKNBBTJ-UHFFFAOYSA-N",54693287,NA,"PDBC18466","648380","Present",NA,NA
+"18467","3,3'-m-Xylenebis[4,7-dihydroxycoumarin]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-m-Xylenebis[4,7-dihydroxycoumarin]",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=CC(=CC=C3)CC4=C(C5=CC=CC=C5OC4=O)O)O","CZVUOUUGJVTHGL-UHFFFAOYSA-N",54706563,NA,"PDBC18467","686379","Present",NA,NA
+"18468","3,3'-o-Xylenebis[4,7-dihydroxycoumarin]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-o-Xylenebis[4,7-dihydroxycoumarin]",NA,"C1=CC=C(C(=C1)CC2=C(C3=CC=CC=C3OC2=O)O)CC4=C(C5=CC=CC=C5OC4=O)O","JQQVNNBKEYQHTK-UHFFFAOYSA-N",54714084,NA,"PDBC18468","686378","Present",NA,NA
+"18469","3,3'-p-Xylenebis[4,7-dihydroxycoumarin]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-p-Xylenebis[4,7-dihydroxycoumarin]",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=CC=C(C=C3)CC4=C(C5=CC=CC=C5OC4=O)O)O","XYMRWHUHMUWYFS-UHFFFAOYSA-N",54680451,NA,"PDBC18469","682615","Present",NA,NA
+"18470","3,3':4',3''-Terthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Y7O1CPR2TH",NA,"C1=CSC=C1C2=CSC=C2C3=CSC=C3","GGJALWBSCQLFFP-UHFFFAOYSA-N",184440,NA,"PDBC18470","700232","Present",NA,NA
+"18471","3,3,12,12-Tetrakis(3-hydroxypropyl)-1,2-cyclododecanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,12,12-Tetrakis(3-hydroxypropyl)-1,2-cyclododecanedione",NA,"C1CCCCC(C(=O)C(=O)C(CCC1)(CCCO)CCCO)(CCCO)CCCO","XMCUDPYSSHXCGU-UHFFFAOYSA-N",380909,NA,"PDBC18471","666692","Present",NA,NA
+"18472","3,3,17,17-Tetramethyl-2,4,16,18-tetraoxa-8,12,21,25-tetrathiadispiro[5.7.5^{14}.7^{6}]hexacosane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,17,17-Tetramethyl-2,4,16,18-tetraoxa-8,12,21,25-tetrathiadispiro[5.7.5^{14}.7^{6}]hexacosane",NA,"CC1(OCC2(CO1)CSCCCSCC3(COC(OC3)(C)C)CSCCCSC2)C","PUHHKINTWKEWSQ-UHFFFAOYSA-N",373828,NA,"PDBC18472","650791","Present",NA,NA
+"18473","3,3,3-Trichloro-1-(2,4-dihydroxy-6-methoxyphenyl)-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,3-Trichloro-1-(2,4-dihydroxy-6-methoxyphenyl)-1-propanone",NA,"COC1=CC(=CC(=C1C(=O)CC(Cl)(Cl)Cl)O)O","FNHCZCLXYAGVCP-UHFFFAOYSA-N",375637,NA,"PDBC18473","655459","Present",NA,NA
+"18474","3,3,3-Trichloro-2-hydroxy-N'-phenyl-1-propanesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,3-Trichloro-2-hydroxy-N'-phenyl-1-propanesulfonohydrazide",NA,"C1=CC=C(C=C1)NNS(=O)(=O)CC(C(Cl)(Cl)Cl)O","NIXZPNVWSRNHMX-UHFFFAOYSA-N",330417,NA,"PDBC18474","318824","Present",NA,NA
+"18475","3,3,3-Triethoxyprop-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,3-Triethoxyprop-1-ene",NA,"CCOC(C=C)(OCC)OCC","QWGFTGIQYCNGGH-UHFFFAOYSA-N",371778,NA,"PDBC18475","646222","Present",NA,NA
+"18476","3,3,3-Trifluoro-2,2-dihydroxy-N-(((4-methylphenyl)sulfonyl)methyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,3-Trifluoro-2,2-dihydroxy-N-(((4-methylphenyl)sulfonyl)methyl)propanamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)CNC(=O)C(C(F)(F)F)(O)O","WFGUQMPUQUJSSW-UHFFFAOYSA-N",388280,NA,"PDBC18476","682921","Present",NA,NA
+"18477","3,3,3-Trifluoro-2-(trifluoromethyl)-N-(2,2,2-trifluoro-1-(4-(2-oxobutoxy)anilino)-1-(trifluoromethyl)ethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,3-Trifluoro-N-[1,1,1,3,3,3-hexafluoro-2-[4-(2-oxobutoxy)anilino]propan-2-yl]-2-(trifluoromethyl)propanamide",NA,"CCC(=O)COC1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","ZSMHXNJSSAZHLR-UHFFFAOYSA-N",389163,NA,"PDBC18477","684847","Present",NA,NA
+"18478","3,3,3-Trifluoro-2-(trifluoromethyl)-N-(3-(3,3,3-trifluoro-2-(trifluoromethyl)propanoyl)-1,3-thiazolidin-2-ylidene)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,3-Trifluoro-2-(trifluoromethyl)-N-[3-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]-1,3-thiazolidin-2-ylidene]propanamide",NA,"C1CSC(=NC(=O)C(C(F)(F)F)C(F)(F)F)N1C(=O)C(C(F)(F)F)C(F)(F)F","MMMSJJDOUWFARY-UHFFFAOYSA-N",389170,NA,"PDBC18478","684854","Present",NA,NA
+"18479","3,3,3-Trifluoro-2-(trifluoromethyl)-N-[2,2,2-trifluoro-1-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}anilino)-1-(trifluoromethyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,3-Trifluoro-N-[1,1,1,3,3,3-hexafluoro-2-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]propan-2-yl]-2-(trifluoromethyl)propanamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","CNDXTSFATZIFGG-UHFFFAOYSA-N",383671,NA,"PDBC18479","672089","Present",NA,NA
+"18480","3,3,3-Trifluoro-N-(2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl)-2-(trifluoromethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanamide, 3,3,3-trifluoro-2-(trifluoromethyl)- N-[2-[...",NA,"C1=CC(=CC=C1NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F)F","GQRUPIFZDHHYIQ-UHFFFAOYSA-N",389154,NA,"PDBC18480","684838","Present",NA,NA
+"18481","3,3,4,11-Tetramethyl-8-prop-1-en-2-yl-1,5-dioxaspiro[5.5]undec-10-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,3,7-Tetramethyl-10-(1-methylethenyl)-1,5-dioxaspiro[5.5]undec-7-ene",NA,"CC1C(COC2(O1)CC(CC=C2C)C(=C)C)(C)C","UBGYRURWGVJGPR-UHFFFAOYSA-N",403153,NA,"PDBC18481","717802","Present",NA,NA
+"18482","3,3,4,4,5,5-Hexafluoro-6-(1H-pyrrol-2-yl)tetrahydropyran-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,4,4,5,5-Hexafluoro-6-(1H-pyrrol-2-yl)tetrahydropyran-2-ol",NA,"C1=CNC(=C1)C2C(C(C(C(O2)O)(F)F)(F)F)(F)F","MWHKDGHGGMZVKU-UHFFFAOYSA-N",496626,NA,"PDBC18482","695262","Present",NA,NA
+"18483","3,3,4,4,5,5-Hexafluoro-6-(2-furyl)tetrahydropyran-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,4,4,5,5-Hexafluoro-6-(2-furyl)tetrahydropyran-2-ol",NA,"C1=COC(=C1)C2C(C(C(C(O2)O)(F)F)(F)F)(F)F","XICDCMDCHMIBAQ-UHFFFAOYSA-N",496625,NA,"PDBC18483","695261","Present",NA,NA
+"18484","3,3,4,4-Tetramethyl-1-oxido-diazet-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,4,4-Tetramethyl-1-oxido-diazet-1-ium",NA,"CC1(C([N+](=N1)[O-])(C)C)C","UDCUFMUYRZOCTR-UHFFFAOYSA-N",391930,NA,"PDBC18484","691610","Present",NA,NA
+"18485","3,3,4-Trimethyl-1-(1-methyl-1H-indol-2-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,4-Trimethyl-1-(1-methyl-1H-indol-2-yl)-1,2,3,4-tetrahydrocyclopenta[b]indole",NA,"CC1(CC(C2=C1N(C3=CC=CC=C32)C)C4=CC5=CC=CC=C5N4C)C","XBXVJTRNSNPOAB-UHFFFAOYSA-N",372679,NA,"PDBC18485","648212","Present",NA,NA
+"18486","3,3,5(10),9(11)-Tetraen-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Diacetoxyestra-1,3,5(10),9(11)-tetraen-17-one",NA,"CC(=O)OC1=C(C2=C(C=C1)C3=CCC4(C(C3CC2)CCC4=O)C)OC(=O)C","XNYCWDLNVLSGAW-QRFVXNFXSA-N",404608,NA,"PDBC18486","721019","Present",NA,NA
+"18487","3,3,5(10)-Estratriene-16,17alpha-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,17-dibutyl-17-aza-D-homo-1,3,5(10)-estratriene-16,17.a...",NA,"CCCCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OCCCC","NCJPJZZOHNBOEN-ONJIFJTESA-N",383425,NA,"PDBC18487","671764","Present",NA,NA
+"18488","3,3,5(10)-Trien-ol-17b-yl)c innamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydroxy-N(3-O-methyl-estra-1,3,5(10)-trien-ol-17b-...",NA,"CC12CCC3C(C1CCC2NC(=O)C=CC4=CC(=C(C=C4)O)O)CCC5=C3C=CC(=C5)OC","JHDZSYLXRDVGOK-RAUFMVRRSA-N",11546817,NA,"PDBC18488","734307","Present",NA,NA
+"18489","3,3,5(10)-Triene-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,17.beta.-dibenzyloxyestra-1,3,5(10)-triene-2-carbaldehyde",NA,"CC12CCC3C(C1CCC2OCC4=CC=CC=C4)CCC5=CC(=C(C=C35)C=O)OCC6=CC=CC=C6","OGJQIOIIMVVCNI-XCXNQSAYSA-N",383046,NA,"PDBC18489","671044","Present",NA,NA
+"18490","3,3,5,8a-Tetramethyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,5,8a-Tetramethyl-3,4,8,8a-tetrahydro-1,6(2H,7H)-naphthalenedione",NA,"CC1=C2CC(CC(=O)C2(CCC1=O)C)(C)C","INSMWTOXPYWLCT-UHFFFAOYSA-N",380805,NA,"PDBC18490","666524","Present",NA,NA
+"18491","3,3,5-Trichloro-1-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)pyridine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,5-Trichloro-1-(2,4-dimethoxyphenyl)-4-(4-methoxyphenyl)pyridine-2,6-dione",NA,"COC1=CC=C(C=C1)C2=C(C(=O)N(C(=O)C2(Cl)Cl)C3=C(C=C(C=C3)OC)OC)Cl","HDXYUNYCAUPKNJ-UHFFFAOYSA-N",337974,NA,"PDBC18491","358304","Present",NA,NA
+"18492","3,3,6,6,10-Pentamethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,6,6,10-Pentamethyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,"CC1(CC2=C(CC3=C(N2C)CC(CC3=O)(C)C)C(=O)C1)C","PWIGGFWVVBYUAA-UHFFFAOYSA-N",379949,NA,"PDBC18492","665141","Present",NA,NA
+"18493","3,3,6,6-Tetramethyl-1,4-dioxane-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TX-016592",NA,"CC1(C(=O)OC(C(=O)O1)(C)C)C","GZYXPXGNODDCBD-UHFFFAOYSA-N",81211,NA,"PDBC18493","669822","Present",NA,NA
+"18494","3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,6,6-Tetramethyl-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,"CC1=CC=C(C=C1)N2C3=C(CC4=C2CC(CC4=O)(C)C)C(=O)CC(C3)(C)C","ANBOWCQRXCDQPW-UHFFFAOYSA-N",379937,NA,"PDBC18494","665129","Present",NA,NA
+"18495","3,3,6,6-Tetramethyl-2,7-octanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,6,6-Tetramethyl-2,7-octanedione",NA,"CC(=O)C(C)(C)CCC(C)(C)C(=O)C","HQMGKHLRNOJTKX-UHFFFAOYSA-N",380813,NA,"PDBC18495","666534","Present",NA,NA
+"18496","3,3,6,6-Tetramethyl-9-[2-phenyl-2-(2,3,4-trihydroxyphenyl)ethyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,6,6-Tetramethyl-9-[2-phenyl-2-(2,3,4-trihydroxyphenyl)ethyl]-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione",NA,"CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)CC(C4=CC=CC=C4)C5=C(C(=C(C=C5)O)O)O)C(=O)C1)C","YLOKEJKADCEGST-UHFFFAOYSA-N",379199,NA,"PDBC18496","663611","Present",NA,NA
+"18497","3,3,7,7-Tetramethyl-9-(2-nitrophenyl)-4,6,8,9-tetrahydro-2H-xanthene-1,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,7,7-Tetramethyl-9-(2-nitrophenyl)-4,6,8,9-tetrahydro-2H-xanthene-1,5-dione",NA,"CC1(CC2=C(C(=O)C1)OC3=C(C2C4=CC=CC=C4[N+](=O)[O-])C(=O)CC(C3)(C)C)C","ZDMMMRPYILRBGC-UHFFFAOYSA-N",379636,NA,"PDBC18497","664344","Present",NA,NA
+"18498","3,3,7,7-Tetramethylbicyclo[3.3.1]nonane-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,7,7-Tetramethylbicyclo[3.3.1]nonane-2,6-dione",NA,"CC1(CC2CC(C1=O)CC(C2=O)(C)C)C","TZEDBMOSQPTRPQ-UHFFFAOYSA-N",365122,NA,"PDBC18498","632222","Present",NA,NA
+"18499","3,3-Bis(2,5-dimethoxycyclohexyl)-2-benzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(2,5-dimethoxycyclohexyl)-2-benzofuran-1-one",NA,"COC1CCC(C(C1)C2(C3=CC=CC=C3C(=O)O2)C4CC(CCC4OC)OC)OC","GRLWJBJNHZKQHW-UHFFFAOYSA-N",358268,NA,"PDBC18499","618211","Present",NA,NA
+"18500","3,3-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenyl-2-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1-phenyl-2-butanone",NA,"CC1=CC(=NN1C(C)(C(=O)CC2=CC=CC=C2)N3C(=CC(=N3)C)C)C","BLNHZAYMVOREGG-UHFFFAOYSA-N",380842,NA,"PDBC18500","666582","Present",NA,NA
+"18501","3,3-Bis(3-(trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(3-(trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3(C4=CC(=CC=C4)C(F)(F)F)C5=CC(=CC=C5)C(F)(F)F","IPRQZDVKHKUAHL-UHFFFAOYSA-N",362080,NA,"PDBC18501","625603","Present",NA,NA
+"18502","3,3-Bis(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2H-indol-2...",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC(=C(C=C3)O)F)C4=CC(=C(C=C4)O)F","UDUWVSAYUKWTSI-UHFFFAOYSA-N",26367014,NA,"PDBC18502","782154","Present",NA,NA
+"18503","3,3-Bis(4-(allyloxy)phenyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(4-(allyloxy)phenyl)-1,3-dihydro-2H-indol-2-one",NA,"C=CCOC1=CC=C(C=C1)C2(C3=CC=CC=C3NC2=O)C4=CC=C(C=C4)OCC=C","QFZZUHUTHLFBQN-UHFFFAOYSA-N",377642,NA,"PDBC18503","659221","Present",NA,NA
+"18504","3,3-Bis(4-(trimethylsilyl)benzyl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(4-(trimethylsilyl)benzyl)pyrrolidine",NA,"C[Si](C)(C)C1=CC=C(C=C1)CC2(CCNC2)CC3=CC=C(C=C3)[Si](C)(C)C","CSPSAGUSIRHNBD-UHFFFAOYSA-N",365991,NA,"PDBC18504","634157","Present",NA,NA
+"18505","3,3-Bis(4-chlorobenzyl)dihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(4-chlorobenzyl)dihydro-2(3H)-furanone",NA,"C1COC(=O)C1(CC2=CC=C(C=C2)Cl)CC3=CC=C(C=C3)Cl","HXHNLFJNZMQXCE-UHFFFAOYSA-N",366015,NA,"PDBC18505","634188","Present",NA,NA
+"18506","3,3-Bis(4-chlorophenyl)-2-benzothiophen-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(4-chlorophenyl)-2-benzothiophen-1(3H)-one",NA,"C1=CC=C2C(=C1)C(=O)SC2(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","VDZCDZUDQDPSNH-UHFFFAOYSA-N",376971,NA,"PDBC18506","658171","Present",NA,NA
+"18507","3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(4-chlorophenyl)-2-benzothiophene-1-thione",NA,"C1=CC=C2C(=C1)C(=S)SC2(C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","OTJJSPSKEISBIM-UHFFFAOYSA-N",377855,NA,"PDBC18507","659468","Present",NA,NA
+"18508","3,3-Bis(4-hydroxy-2-methylphenyl)-1-isobenzofuranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amb2616404",NA,"CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3C(=O)O2)C4=C(C=C(C=C4)O)C","DAJCDIIIZOFNEG-UHFFFAOYSA-N",4089957,NA,"PDBC18508","783025","Present",NA,NA
+"18509","3,3-Bis(4-methoxybenzyl)dihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(4-methoxybenzyl)dihydro-2(3H)-furanone",NA,"COC1=CC=C(C=C1)CC2(CCOC2=O)CC3=CC=C(C=C3)OC","VOFYTJRMKVNFRD-UHFFFAOYSA-N",366014,NA,"PDBC18509","634187","Present",NA,NA
+"18510","3,3-Bis(5-methoxy-1H-indole-3-yl)-5-chloroindoline-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-5'-methoxy-3-(5-methoxy-1H-indol-3-yl)-3,3'-bi(1'H-indol)-2-one",NA,"COC1=CC2=C(C=C1)NC=C2C3(C4=C(C=CC(=C4)Cl)NC3=O)C5=CNC6=C5C=C(C=C6)OC","KEWHQPSNRGTTJC-UHFFFAOYSA-N",122225740,NA,"PDBC18510","756900","Present",NA,NA
+"18511","3,3-Bis(8-hydroxy-7-methyl-5-quinolyl)isobenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 5,5'-(1,3-dihydro-3-oxo- 1,1-isobenzofuran...",NA,"CC1=CC(=C2C=CC=NC2=C1O)C3(C4=CC=CC=C4C(=O)O3)C5=C6C=CC=NC6=C(C(=C5)C)O","KBNVZXWRVJSFSI-UHFFFAOYSA-N",389858,NA,"PDBC18511","686489","Present",NA,NA
+"18512","3,3-Bis(chloromethyl)oxetane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bcmo",NA,"C1C(CO1)(CCl)CCl","CXURGFRDGROIKG-UHFFFAOYSA-N",6550,NA,"PDBC18512","650608","Present",NA,NA
+"18513","3,3-Bis(methylthio)-2-phosphonoacrylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(methylthio)-2-phosphonoacrylic acid",NA,"CSC(=C(C(=O)O)P(=O)(O)O)SC","AIYQPHFFVMHKNV-UHFFFAOYSA-N",381177,NA,"PDBC18513","667507","Present",NA,NA
+"18514","3,3-Bis(trifluoromethyl)-1$l^{3},2-benziodoxole-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Bis(trifluoromethyl)-1$l^{3},2-benziodoxole-1-carbonitrile",NA,"C1=CC=C2C(=C1)C(OI2C#N)(C(F)(F)F)C(F)(F)F","DITWBNYKQGVOIK-UHFFFAOYSA-N",390373,NA,"PDBC18514","687715","Present",NA,NA
+"18515","3,3-Bis-(4-methoxy-phenyl)-3H-benzo[de]isochromen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Bis(4-methoxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one",NA,"COC1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C(=O)O2)C5=CC=C(C=C5)OC","XPTOZIUZBVUJJM-UHFFFAOYSA-N",403899,NA,"PDBC18515","719488","Present",NA,NA
+"18516","3,3-Bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-bis[4-(4-amino-3-hydroxyphenoxy)phenyl]diamantane",NA,"C1C2CC3C4C1C5CC(C4)C(C3C5C2)(C6=CC=C(C=C6)OC7=CC(=C(C=C7)N)O)C8=CC=C(C=C8)OC9=CC(=C(C=C9)N)O","PRRYJMKXHHNXKX-UHFFFAOYSA-N",399962,NA,"PDBC18516","711114","Present",NA,NA
+"18517","3,3-Bis[4-(4-aminoiphenoxy)phenyl]diamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-bis[4-(4-aminoiphenoxy)phenyl]diamantane",NA,"C1C2CC3C4C1C5CC(C4)C(C3C5C2)(C6=CC=C(C=C6)OC7=CC=C(C=C7)N)C8=CC=C(C=C8)OC9=CC=C(C=C9)N","AKQGWCMCPFIHOU-UHFFFAOYSA-N",399961,NA,"PDBC18517","711113","Present",NA,NA
+"18518","3,3-Dibromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dibromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)(Br)Br","AAIAQPAOSBKULH-UHFFFAOYSA-N",372721,NA,"PDBC18518","648304","Present",NA,NA
+"18519","3,3-Dibromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dibromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)OC1)(Br)Br","RMHHFOOOSCKAMR-UHFFFAOYSA-N",380417,NA,"PDBC18519","665940","Present",NA,NA
+"18520","3,3-Dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dibutyl-6-nitro-2,4,3-benzodioxastannepine-1,5-dione",NA,"CCCC[Sn]1(OC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O1)CCCC","HPRWXVGSBBPEPP-UHFFFAOYSA-L",16683294,NA,"PDBC18520","109072","Present",NA,NA
+"18521","3,3-Dichloro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dichloro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)(Cl)Cl","OPBXTOPKDJSOAO-UHFFFAOYSA-N",372724,NA,"PDBC18521","648307","Present",NA,NA
+"18522","3,3-Diethyl 1-methyl 6-amino-6-oxo-1,3,3-hexanetricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Diethyl 1-methyl 6-amino-6-oxo-1,3,3-hexanetricarboxylate",NA,"CCOC(=O)C(CCC(=O)N)(CCC(=O)OC)C(=O)OCC","WPVIWTLIOOCDKA-UHFFFAOYSA-N",359837,NA,"PDBC18522","621404","Present",NA,NA
+"18523","3,3-Difluoro-2-(trifluoromethyl)-2-phosphabicyclo[2.2.2]oct-5-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Difluoro-2-(trifluoromethyl)-2-phosphabicyclo[2.2.2]oct-5-ene",NA,"C1CC2C=CC1C(P2C(F)(F)F)(F)F","HLSBOFLVTDNIAT-UHFFFAOYSA-N",374023,NA,"PDBC18523","651202","Present",NA,NA
+"18524","3,3-Diiodo-1,2-diphenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-diiodo-1,2-diphenyl-2-propen-1-one",NA,"C1=CC=C(C=C1)C(=C(I)I)C(=O)C2=CC=CC=C2","NUSWGESYYHHTQX-UHFFFAOYSA-N",381580,NA,"PDBC18524","668371","Present",NA,NA
+"18525","3,3-Diiodo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Diiodo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)(I)I","JXIXQNNDQGQZIF-UHFFFAOYSA-N",372725,NA,"PDBC18525","648308","Present",NA,NA
+"18526","3,3-Diiodo-2-phenyl-2-propenal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-diiodo-2-phenyl-2-propenal",NA,"C1=CC=C(C=C1)C(=C(I)I)C=O","JLVBAYOFAMFOCP-UHFFFAOYSA-N",381579,NA,"PDBC18526","668370","Present",NA,NA
+"18527","3,3-Dimethoxy-1-methyl-2-(phenylsulfonyl)-2,3,4,4a,5,6,7,8-octahydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethoxy-1-methyl-2-(phenylsulfonyl)-2,3,4,4a,5,6,7,8-octahydroisoquinoline",NA,"CC1=C2CCCCC2CC(N1S(=O)(=O)C3=CC=CC=C3)(OC)OC","JESBBHBZNOCVQK-UHFFFAOYSA-N",363576,NA,"PDBC18527","628555","Present",NA,NA
+"18528","3,3-Dimethyl-1,1-bis(4-(1,3-thiazol-4-yl)phenyl)-2-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-1,1-bis(4-(1,3-thiazol-4-yl)phenyl)-2-butanone",NA,"CC(C)(C)C(=O)C(C1=CC=C(C=C1)C2=CSC=N2)C3=CC=C(C=C3)C4=CSC=N4","AKOWATAHHUCAEN-UHFFFAOYSA-N",366001,NA,"PDBC18528","634174","Present",NA,NA
+"18529","3,3-Dimethyl-1-butynyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-1-butynyl benzoate",NA,"CC(C)(C)C#COC(=O)C1=CC=CC=C1","PYBKBZHNHYPLAR-UHFFFAOYSA-N",371539,NA,"PDBC18529","645867","Present",NA,NA
+"18530","3,3-Dimethyl-1-phenyltriazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDMT",NA,"CN(C)N=NC1=CC=CC=C1","LLROQAGEAVDYFP-UHFFFAOYSA-N",23654,NA,"PDBC18530","3094","Present",NA,NA
+"18531","3,3-Dimethyl-2-methylene-2,3-dihydro-5H-oxazolo[2,3-b]quinazolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-2-methylidene-2,3-dihydro-5H-[1,3]oxazolo[2,3-b]quinazolin-5-one",NA,"CC1(C(=C)OC2=NC3=CC=CC=C3C(=O)N21)C","BXDYAFLJWZIBEQ-UHFFFAOYSA-N",363806,NA,"PDBC18531","629020","Present",NA,NA
+"18532","3,3-Dimethyl-2-oxo-N-(propan-2-ylideneamino)-2-(2-pyrimidin-2-ylhydrazinyl)-1,4,2lambda5-thiazaphosphol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-2-oxo-N-(propan-2-ylideneamino)-2-(2-pyrimidin-2-ylhydrazinyl)-1,4,2lambda5-thiazaphosphol-5-amine",NA,"CC(=NNC1=NC(P(=O)(S1)NNC2=NC=CC=N2)(C)C)C","FDUWOROLFKWUFN-UHFFFAOYSA-N",353112,NA,"PDBC18532","600270","Present",NA,NA
+"18533","3,3-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-2-oxobicyclo[2.2.1]hept-1-yl trifluoromethanesulfonate",NA,"CC1(C2CCC(C2)(C1=O)OS(=O)(=O)C(F)(F)F)C","HXHXUZZTBAWEKZ-UHFFFAOYSA-N",396130,NA,"PDBC18533","701674","Present",NA,NA
+"18534","3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbonitrile",NA,"CC1(C2CCC(C2)(C1=O)C#N)C","HHIRPLGIOGJKJP-UHFFFAOYSA-N",396133,NA,"PDBC18534","701677","Present",NA,NA
+"18535","3,3-Dimethyl-2H-1,4-benzodioxin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-2H-1,4-benzodioxin-2-ol",NA,"CC1(C(OC2=CC=CC=C2O1)O)C","VTQNUKHKSRBPMD-UHFFFAOYSA-N",386472,NA,"PDBC18535","678498","Present",NA,NA
+"18536","3,3-Dimethyl-4-(4-methylphenyl)sulfonyl-5-propan-2-ylpyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Dimethyl-5-(1-methylethyl)-4-[(4-methylphenyl)sulfonyl]-3h-pyrazole",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(N=NC2(C)C)C(C)C","NBFWQTZGNXZOBF-UHFFFAOYSA-N",400848,NA,"PDBC18536","713373","Present",NA,NA
+"18537","3,3-Dimethylbicyclo[2.2.1]heptane-1,2-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701682",NA,"CC1(C2CCC(C2)(C1N)N)C.Cl","CIJMBTAJAXJCLX-UHFFFAOYSA-N",396142,NA,"PDBC18537","701682","Present",NA,NA
+"18538","3,3-Dimethylbut-1-ynyl(triphenyl)phosphanium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645870",NA,"CC(C)(C)C#C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]","ZRFCPBXOECVNKU-UHFFFAOYSA-M",24202376,NA,"PDBC18538","645870","Present",NA,NA
+"18539","3,3-Dimethylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC400229",NA,"CC(C)(C)CC(=O)N","LINZZISWCNKFEM-UHFFFAOYSA-N",219625,NA,"PDBC18539","400229","Present",NA,NA
+"18540","3,3-Diphenyl-2-benzothiophen-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Diphenyl-2-benzothiophen-1(3H)-one",NA,"C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)S2)C4=CC=CC=C4","RTOLLIIPIHMGAY-UHFFFAOYSA-N",374055,NA,"PDBC18540","651256","Present",NA,NA
+"18541","3,3-j]-1,2-Benzodioxepin, 10,10'-[(1,2-ethanediyl)bis(oxy)]bis[decahydro-3,6,9-trimethyl-, stereoisomer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,12-Epoxy-12H-pyrano[4,3-j]-1,2-benzodioxepin, 10,10'-[...",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCCOC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C","ROQIHFFCAPNSHV-FIEKKSMYSA-N",54609039,NA,"PDBC18541","698678","Present",NA,NA
+"18542","3,3a,4,10b-Tetrahydropyrazolo[3',4':3,4]pyrrolo[1,2-a]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazolo[3',4':3,4]pyrolo[1,2-a]indole, 3,3a,4,10b- tetr...",NA,"C1C2CN3C4=CC=CC=C4C=C3C2N=N1","KRQCYIVMWCDSOT-UHFFFAOYSA-N",367854,NA,"PDBC18542","638020","Present",NA,NA
+"18543","3,3a,4,6a-Tetramethyl-1-(2-methyl-3-oxobutanoyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3a,4,6a-Tetramethyl-1-(2-methyl-3-oxobutanoyl)tetrahydroimidazo[4,5-d]imidazole-2,5(1H,3H)-dione",NA,"CC(C(=O)C)C(=O)N1C(=O)N(C2(C1(NC(=O)N2C)C)C)C","OUQMTPPQUKTVHA-UHFFFAOYSA-N",382844,NA,"PDBC18543","670674","Present",NA,NA
+"18544","3,4'',4'''-Tetrasulfonyl copper phthalocyanine, tetra sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4',4'',4'''-Tetrasulfonyl copper phthalocyanine, tetra...",NA,"C1=CC2=C(C=C1S(=O)(=O)[O-])C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)S(=O)(=O)[O-])C(=N7)N=C2[N-]3)S(=O)(=O)[O-])C9=C4C=CC(=C9)S(=O)(=O)[O-].[Na+].[Cu+2]","GALUQLOHKZHXAP-UHFFFAOYSA-J",54608826,NA,"PDBC18544","641048","Present",NA,NA
+"18545","3,4'-Dinitrochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4'-Dinitrochalcone",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","LCASUCZQFAYAPF-RUDMXATFSA-N",5387159,NA,"PDBC18545","621368","Present",NA,NA
+"18546","3,4'-dimethoxyresveratrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4'-dimethoxyresveratrol",NA,"COC1=CC=C(C=C1)C=CC2=CC(=CC(=C2)OC)O","ULMJJZHWFJYIMM-ONEGZZNKSA-N",5473051,NA,"PDBC18546","723533","Present",NA,NA
+"18547","3,4,4',5-Tetramethoxy-3'-(tert-butyldimethylsiloxy)stilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,4',5-Tetramethoxy-3'-(tert-butyldimethylsiloxy)stilbene",NA,"CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC","UMDKFDJQYNOPRV-ZHACJKMWSA-N",5386558,NA,"PDBC18547","613777","Present",NA,NA
+"18548","3,4,4',5-Tetramethoxy-3'-acetoxybenzophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794723",NA,"CC(=O)OC1=C(C=CC(=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC","FKCWULMKUVIBII-UHFFFAOYSA-N",11792852,NA,"PDBC18548","794723","Present",NA,NA
+"18549","3,4,4',5-Tetramethoxybenzophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,4',5-Tetramethoxybenzophenone",NA,"COC1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC","GGZQGMKOFKNKQN-UHFFFAOYSA-N",368149,NA,"PDBC18549","638498","Present",NA,NA
+"18550","3,4,4-Trichloro-1-(2,3-dichlorophenyl)but-3-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3-dichlorophenyl)-3,4,4-trichloro-but-3-en-1-one",NA,"C1=CC(=C(C(=C1)Cl)Cl)C(=O)CC(=C(Cl)Cl)Cl","GRIJZFPENZNIAJ-UHFFFAOYSA-N",405826,NA,"PDBC18550","723513","Present",NA,NA
+"18551","3,4,4-Trichloro-1-phenylbut-3-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,4-trichloro-1-phenyl-but-3-en-1-one",NA,"C1=CC=C(C=C1)C(=O)CC(=C(Cl)Cl)Cl","QUFMZYOGBXYASP-UHFFFAOYSA-N",405821,NA,"PDBC18551","723508","Present",NA,NA
+"18552","3,4,4-Trichloro-2-nitro-1,1-diphenylthiobuta-1,3-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1,1'-[(3,4,4-trichloro-2-nitro- 1,3-butadienyli...",NA,"C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","KDLDVVOYKRVOOK-UHFFFAOYSA-N",379911,NA,"PDBC18552","665103","Present",NA,NA
+"18553","3,4,4-Trichloro-2-nitro-1-N,1-N'-di(quinolin-8-yl)buta-1,3-diene-1,1-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,4-Trichloro-2-nitro-1-N,1-N'-di(quinolin-8-yl)buta-1,3-diene-1,1-diamine",NA,"C1=CC2=C(C(=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4)N=CC=C2","FSAUGVHBMIULCJ-UHFFFAOYSA-N",394696,NA,"PDBC18553","698364","Present",NA,NA
+"18554","3,4,4-Trimethyl-1,2-dioxido-diazete-1,2-diium-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,4-trimethyl-1,2-dioxido-diazete-1,2-diium-3-ol",NA,"CC1(C([N+](=O)N1[O-])(C)O)C","DUJIYKMIHUKLDN-UHFFFAOYSA-N",391933,NA,"PDBC18554","691613","Present",NA,NA
+"18555","3,4,4-Triphenylbut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,4-Triphenyl-3-buten-2-one",NA,"CC(=O)C(=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3","YOBDJRWFESLANB-UHFFFAOYSA-N",377975,NA,"PDBC18555","659652","Present",NA,NA
+"18556","3,4,5,11,12,21,22,23-Octahydroxy-13-methoxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5,11,12,21,22,23-Octahydroxy-13-methoxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione",NA,"COC1C(C(C2C(O1)COC(=O)C3=CC(=C(C(=C3C4=C(C(=C(C=C4C(=O)O2)O)O)O)O)O)O)O)O","LZYLPRCBSOWKDZ-UHFFFAOYSA-N",383391,NA,"PDBC18556","671562","Present",NA,NA
+"18557","3,4,5,16,17,18-Hexahydroxy-8,13-dioxo-11-(1,2,3-trihydroxypropyl)-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5,16,17,18-Hexahydroxy-8,13-dioxo-11-(1,2,3-trihydroxypropyl)-9,12-dioxatricyclo[12.4.0.02,7]octadeca-1(18),2,4,6,14,16-hexaene-10-carbaldehyde",NA,"C1=C2C(=C(C(=C1O)O)O)C3=C(C(=C(C=C3C(=O)OC(C(OC2=O)C=O)C(C(CO)O)O)O)O)O","JYJNKJHPALROCD-UHFFFAOYSA-N",385551,NA,"PDBC18557","676819","Present",NA,NA
+"18558","3,4,5,4'-Tetramethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(4-Methoxyphenyl)Ethenyl]-1,2,3-Trimethoxy Benzene",NA,"COC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","GGFQQRXTLIJXNY-AATRIKPKSA-N",5388065,NA,"PDBC18558","631365","Present",NA,NA
+"18559","3,4,5,6-Tetrabenzyl-1,2-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5,6-Tetrabenzyl-1,2-benzenediol",NA,"C1=CC=C(C=C1)CC2=C(C(=C(C(=C2CC3=CC=CC=C3)O)O)CC4=CC=CC=C4)CC5=CC=CC=C5","DYGWEKPMLQKYLH-UHFFFAOYSA-N",379492,NA,"PDBC18559","664153","Present",NA,NA
+"18560","3,4,5,6-Tetrahydro-1-benzazocin-1(2H)-ylacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5,6-Tetrahydro-1-benzazocin-1(2H)-ylacetonitrile",NA,"C1CCC2=CC=CC=C2N(CC1)CC#N","PJLQBEXWXUCMLQ-UHFFFAOYSA-N",379570,NA,"PDBC18560","664257","Present",NA,NA
+"18561","3,4,5,6-Tetrakis(1-ethylbutyl)-1,2-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5,6-Tetrakis(1-ethylbutyl)-1,2-benzenediol",NA,"CCCC(CC)C1=C(C(=C(C(=C1C(CC)CCC)O)O)C(CC)CCC)C(CC)CCC","MERZOBJQFOCPRA-UHFFFAOYSA-N",379496,NA,"PDBC18561","664157","Present",NA,NA
+"18562","3,4,5,6-Tetramethoxytetrahydropyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5,6-Tetramethoxytetrahydropyran-2-one",NA,"COC1C(C(OC(=O)C1OC)OC)OC","FMBCKALBVPWSTF-UHFFFAOYSA-N",392708,NA,"PDBC18562","693425","Present",NA,NA
+"18563","3,4,5,6-Tetramethyl-2,7,8,9-tetraoxa-1lambda4-telluratetracyclo[3.2.1.11,4.03,6]nonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5,6-Tetramethyl-2,7,8,9-tetraoxa-1lambda4-telluratetracyclo[3.2.1.11,4.03,6]nonane",NA,"CC12C3(C4(C1(O[Te](O2)(O3)O4)C)C)C","APGSMPJOMWFSAX-UHFFFAOYSA-N",358627,NA,"PDBC18563","618635","Present",NA,NA
+"18564","3,4,5,6-Tetramethylphenanthrene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5,6-Tetramethylphenanthrene-9,10-dione",NA,"CC1=C(C2=C(C=C1)C(=O)C(=O)C3=C2C(=C(C=C3)C)C)C","JTMGCXDRWXHOND-UHFFFAOYSA-N",282415,NA,"PDBC18564","135880","Present",NA,NA
+"18565","3,4,5,6-Tetranonyl-1,2-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5,6-Tetranonyl-1,2-benzenediol",NA,"CCCCCCCCCC1=C(C(=C(C(=C1CCCCCCCCC)O)O)CCCCCCCCC)CCCCCCCCC","VZDRYPMGKLJOMG-UHFFFAOYSA-N",379494,NA,"PDBC18565","664155","Present",NA,NA
+"18566","3,4,5-Pyridinetricarbonitrile, 2-amino-6-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-132108",NA,"COC1=C(C(=C(C(=N1)N)C#N)C#N)C#N","FNZQARVPPQEHAV-UHFFFAOYSA-N",282481,NA,"PDBC18566","135964","Present",NA,NA
+"18567","3,4,5-Tri(hydroxyimino)-2,2,6,6-tetramethylazaperhydroine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663941",NA,"CC1(C(=NO)C(=NO)C(=NO)C(N1)(C)C)C","IJZNOLWKANIROC-IODUZNRKSA-N",135509157,NA,"PDBC18567","663941","Present",NA,NA
+"18568","3,4,5-Trihydroxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trihydroxy-N-(4-phenyl-thiazol-2-yl)-benzamide",NA,"C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)O)O)O","FVHYSLXNCCIYTD-UHFFFAOYSA-N",155809712,NA,"PDBC18568","773204","Present",NA,NA
+"18569","3,4,5-Trihydroxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trihydroxy-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-b...",NA,"COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)O)O)O","ZPJYKFOXEGISOM-UHFFFAOYSA-N",155809713,NA,"PDBC18569","773205","Present",NA,NA
+"18570","3,4,5-Trimethoxy-.alpha.-benzoyl cinnamonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxy-.alpha.-benzoyl cinnamonitrile",NA,"COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)C2=CC=CC=C2","UOUFHXICGIKHAK-OQLLNIDSSA-N",5345651,NA,"PDBC18570","643181","Present",NA,NA
+"18571","3,4,5-Trimethoxy-2-(6-(3-methoxy-3-oxo-1-propenyl)-1,3-benzodioxol-5-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxy-2-(6-(3-methoxy-3-oxo-1-propenyl)-1,3-benzodioxol-5-yl)benzoic acid",NA,"COC1=C(C(=C(C(=C1)C(=O)O)C2=CC3=C(C=C2C=CC(=O)OC)OCO3)OC)OC","GHBMKATUAQBRTJ-AATRIKPKSA-N",5467083,NA,"PDBC18571","647368","Present",NA,NA
+"18572","3,4,5-Trimethoxy-2-nitrobenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Nitro-3,4,5-trimethoxybenzoic acid",NA,"COC1=C(C(=C(C(=C1)C(=O)O)[N+](=O)[O-])OC)OC","VPVAFLFJAAPHKI-UHFFFAOYSA-N",97116,NA,"PDBC18572","100936","Present",NA,NA
+"18573","3,4,5-Trimethoxy-N'-(3-nitrobenzylidene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 3,4,5-trimethoxy-, [(3-nitrophenyl)methyle...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)NN=CC2=CC(=CC=C2)[N+](=O)[O-]","IRWQJZALPNFBKW-VCHYOVAHSA-N",6861410,NA,"PDBC18573","326420","Present",NA,NA
+"18574","3,4,5-Trimethoxy-N,N',N'-trimethylbenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxy-N,N',N'-trimethylbenzohydrazide",NA,"CN(C)N(C)C(=O)C1=CC(=C(C(=C1)OC)OC)OC","NQVJVDSURHFNAQ-UHFFFAOYSA-N",267536,NA,"PDBC18574","106877","Present",NA,NA
+"18575","3,4,5-Trimethoxy-N-(4-methoxyphenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxy-N-(4-Methoxyphenyl)-Benzamide",NA,"COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC","BQYHECHXLBBJKB-UHFFFAOYSA-N",364715,NA,"PDBC18575","631373","Present",NA,NA
+"18576","3,4,5-Trimethoxy-N-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-ylmethyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxy-N-(4H-pyrrolo[2,1-c][1,4]benzoxazin-1-ylmethyl)aniline",NA,"COC1=CC(=CC(=C1OC)OC)NCC2=CC=C3N2C4=CC=CC=C4OC3","ABSFLCYOGKBJHW-UHFFFAOYSA-N",403776,NA,"PDBC18576","719249","Present",NA,NA
+"18577","3,4,5-Trimethoxy-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(3,4,5-trimethoxybenzoyl)carbamothioyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxy-N-(pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl-(3,4,5-trimethoxybenzoyl)carbamothioyl]benzamide",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)N(CC2=CN=CC=C2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC","KTECNGMFQJDNCZ-UHFFFAOYSA-N",401372,NA,"PDBC18577","714684","Present",NA,NA
+"18578","3,4,5-Trimethoxy-N-[(4-methoxyphenyl)methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxybenzyl)-3,4,5-trimethoxyaniline",NA,"COC1=CC=C(C=C1)CNC2=CC(=C(C(=C2)OC)OC)OC","DYEUTHLELOFMTM-UHFFFAOYSA-N",364712,NA,"PDBC18578","631370","Present",NA,NA
+"18579","3,4,5-Trimethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxy-N-[1-(4-methoxyphenyl)ethyl]aniline",NA,"CC(C1=CC=C(C=C1)OC)NC2=CC(=C(C(=C2)OC)OC)OC","AQKWATYTUZGXDX-UHFFFAOYSA-N",364711,NA,"PDBC18579","631369","Present",NA,NA
+"18580","3,4,5-Trimethoxybenzylidene acetophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxybenzylidene acetophenone",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=CC=C2","MFDFEQQOFGIZAS-MDZDMXLPSA-N",5712112,NA,"PDBC18580","643180","Present",NA,NA
+"18581","3,4,5-Trimethoxybenzylidene pinacolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxybenzylidene pinacolone",NA,"CC(C)(C)C(=O)C=CC1=CC(=C(C(=C1)OC)OC)OC","JFUADQDIVYIHHG-BQYQJAHWSA-N",6156677,NA,"PDBC18581","643179","Present",NA,NA
+"18582","3,4,5-Trimethoxypentylidene malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxypentylidene malononitrile",NA,"COCC(C(CC=C(C#N)C#N)OC)OC","MQMXFBSFZANTIS-UHFFFAOYSA-N",370544,NA,"PDBC18582","643771","Present",NA,NA
+"18583","3,4,5-Tris(chloromethyl)-1-phenyl-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Tris(chloromethyl)-1-phenyl-1H-pyrazole",NA,"C1=CC=C(C=C1)N2C(=C(C(=N2)CCl)CCl)CCl","IMCHSGFXKKIIGS-UHFFFAOYSA-N",384487,NA,"PDBC18583","674316","Present",NA,NA
+"18584","3,4,5-Tris(phenylsulfanyl)pyridine-2,6-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Pyridinedicarbonitrile, 3,4,5-tris(phenylthio)-",NA,"C1=CC=C(C=C1)SC2=C(N=C(C(=C2SC3=CC=CC=C3)SC4=CC=CC=C4)C#N)C#N","MMEWWNCMPUGYOO-UHFFFAOYSA-N",318768,NA,"PDBC18584","258168","Present",NA,NA
+"18585","3,4,6,7,10,11-Hexahydro-2H,9H-1,5,8,12-benzotetrathiacyclotetradecine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,6,7,10,11-Hexahydro-2H,9H-1,5,8,12-benzotetrathiacyclotetradecine",NA,"C1CSCCSCCCSC2=CC=CC=C2SC1","VJOLUSJKEFZSGU-UHFFFAOYSA-N",373818,NA,"PDBC18585","650781","Present",NA,NA
+"18586","3,4,6-Trichloro-2-[[2-[(2,3,5-trichloro-6-hydroxyphenyl)methylamino]ethylamino]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,6-Trichloro-2-[[2-[(2,3,5-trichloro-6-hydroxyphenyl)methylamino]ethylamino]methyl]phenol",NA,"C1=C(C(=C(C(=C1Cl)Cl)CNCCNCC2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl","LABARNRANBXRQE-UHFFFAOYSA-N",223883,NA,"PDBC18586","11969","Present",NA,NA
+"18587","3,4,6-Trichloro-5,7-dimethyl-2h-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,6-Trichloro-5,7-dimethyl-2h-chromen-2-one",NA,"CC1=CC2=C(C(=C1Cl)C)C(=C(C(=O)O2)Cl)Cl","GEDSDJKKACCVPG-UHFFFAOYSA-N",282451,NA,"PDBC18587","135929","Present",NA,NA
+"18588","3,4,6-Trimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,6-Trimethyl-2-phenyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one",NA,"CC1=C2C(=NN(C(=O)C2=NN1C3=CC=CC=C3)C)C","LWHSKWBVAIELHS-UHFFFAOYSA-N",369356,NA,"PDBC18588","641112","Present",NA,NA
+"18589","3,4,7,8-Tetrahydro-2H,6H-1,5,9-benzotrithiacycloundecine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,7,8-Tetrahydro-2H,6H-1,5,9-benzotrithiacycloundecine",NA,"C1CSCCCSC2=CC=CC=C2SC1","PJUMTQDSMPFWGI-UHFFFAOYSA-N",373821,NA,"PDBC18589","650784","Present",NA,NA
+"18590","3,4,7-Trichloro-N,N-bis(2-chloroethyl)-11-oxobenzo[d][1,3,6,2]benzodioxathiaphosphocin-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,7-Trichloro-N,N-bis(2-chloroethyl)-11-oxobenzo[d][1,3,6,2]benzodioxathiaphosphocin-11-amine",NA,"C1=CC2=C(C=C1Cl)SC3=C(C=CC(=C3Cl)Cl)OP(=O)(O2)N(CCCl)CCCl","XJVRODHTQOHLNA-UHFFFAOYSA-N",382835,NA,"PDBC18590","670664","Present",NA,NA
+"18591","3,4,8-Trimethyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,8-Trimethyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3(CC(=C)C(=O)O3)C)C","ZTAQZLVRTRINNV-UHFFFAOYSA-N",381508,NA,"PDBC18591","668264","Present",NA,NA
+"18592","3,4,8-Trimethyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,8-Trimethyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4)C","BISHOPKZVHUCGR-UHFFFAOYSA-N",381512,NA,"PDBC18592","668268","Present",NA,NA
+"18593","3,4-Bis((aminocarbothioyl)hydrazono)-2,5-diphenylhexanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis((aminocarbothioyl)hydrazono)-2,5-diphenylhexanedinitrile",NA,"C1=CC=C(C=C1)C(C#N)C(=NNC(=S)N)C(=NNC(=S)N)C(C#N)C2=CC=CC=C2","YHSIOISZLFPZGH-MFYXSQMNSA-N",9570045,NA,"PDBC18593","635398","Present",NA,NA
+"18594","3,4-Bis(1-methylindol-3-yl)-1,2,5-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-(1,2,5-oxadiazole-3,4-diyl)bis(1-methyl-1H-indole)",NA,"CN1C=C(C2=CC=CC=C21)C3=NON=C3C4=CN(C5=CC=CC=C54)C","BYCFNFRFVITXCN-UHFFFAOYSA-N",155812489,NA,"PDBC18594","801519","Present",NA,NA
+"18595","3,4-Bis(2-anilino-2-oxoethyl)-N~2~,N~5~-diphenyl-2,5-thiophenedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis(2-anilino-2-oxoethyl)-N~2~,N~5~-diphenyl-2,5-thiophenedicarboxamide",NA,"C1=CC=C(C=C1)NC(=O)CC2=C(SC(=C2CC(=O)NC3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C(=O)NC5=CC=CC=C5","UBFFFZZNIQKWNU-UHFFFAOYSA-N",363194,NA,"PDBC18595","627868","Present",NA,NA
+"18596","3,4-Bis(4-chlorophenyl)-6H-1,2,5-oxadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis(4-chlorophenyl)-6H-1,2,5-oxadiazine",NA,"C1N=C(C(=NO1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","NTLPPBYJSBMZMV-UHFFFAOYSA-N",389370,NA,"PDBC18596","685416","Present",NA,NA
+"18597","3,4-Bis(4-methoxyphenyl)-1H-imidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis(4-methoxyphenyl)-1H-imidazole-2-thione",NA,"COC1=CC=C(C=C1)C2=CNC(=S)N2C3=CC=C(C=C3)OC","VDSSUHQSYGTUAM-UHFFFAOYSA-N",18524150,NA,"PDBC18597","730531","Present",NA,NA
+"18598","3,4-Bis(4-methoxyphenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis(4-methoxyphenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide",NA,"COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NC3=NC=CS3","UPSWIRQXQLGRDS-UHFFFAOYSA-N",361443,NA,"PDBC18598","624465","Present",NA,NA
+"18599","3,4-Bis(4-methylphenyl)-1,2,5-triphenyl-2,4-cyclopentadien-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis(4-methylphenyl)-1,2,5-triphenyl-2,4-cyclopentadien-1-ol",NA,"CC1=CC=C(C=C1)C2=C(C(C(=C2C3=CC=C(C=C3)C)C4=CC=CC=C4)(C5=CC=CC=C5)O)C6=CC=CC=C6","BZXAJSZVTFJPAE-UHFFFAOYSA-N",370267,NA,"PDBC18599","643045","Present",NA,NA
+"18600","3,4-Bis(4-methylphenyl)-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-di-p-tolylisoxazolo[3,4-d]pyridazin-7(6H)-one",NA,"CC1=CC=C(C=C1)C2=C3C(=NNC(=O)C3=NO2)C4=CC=C(C=C4)C","MIVUTDACJQIZLB-UHFFFAOYSA-N",155815969,NA,"PDBC18600","765773","Present",NA,NA
+"18601","3,4-Bis(5-methyl-2-methylsulfonyl-3-thienyl)-2-oxido-1,2,5-oxadiazol-2-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis(5-methyl-2-methylsulfonyl-3-thienyl)-2-oxido-1,2,5-oxadiazol-2-ium",NA,"CC1=CC(=C(S1)S(=O)(=O)C)C2=NO[N+](=C2C3=C(SC(=C3)C)S(=O)(=O)C)[O-]","NVZBFRMNYPOGCV-UHFFFAOYSA-N",392975,NA,"PDBC18601","694217","Present",NA,NA
+"18602","3,4-Bis(benzoyloxy)-5-(3-cyano-4-(2-furyl)-6-(4-methoxyphenyl)-2-oxo-1(2H)-pyridinyl)tetrahydro-2-furanyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Dibenzoyloxy-2-[3-cyano-4-(furan-2-yl)-6-(4-methoxyphenyl)-2-oxopyridin-1-yl]oxolan-3-yl] benzoate",NA,"COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(O3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C#N)C7=CC=CO7","VVWMRCSDZLWLDA-UHFFFAOYSA-N",368882,NA,"PDBC18602","640227","Present",NA,NA
+"18603","3,4-Bis(benzoyloxy)-5-(3-cyano-4-(2-furyl)-6-(4-methylphenyl)-2-oxo-1(2H)-pyridinyl)tetrahydro-2-furanyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Dibenzoyloxy-2-[3-cyano-4-(2-furyl)-2-oxo-6-(p-tolyl)-1-pyridyl]tetrahydrofuran-3-yl] benzoate",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(O3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C#N)C7=CC=CO7","NNAZKQHSNHTJPW-UHFFFAOYSA-N",368881,NA,"PDBC18603","640226","Present",NA,NA
+"18604","3,4-Bis(diethylamino)cyclobut-3-ene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis(diethylamino)cyclobut-3-ene-1,2-dione",NA,"CCN(CC)C1=C(C(=O)C1=O)N(CC)CC","YFAGDBJCYIUVGA-UHFFFAOYSA-N",394542,NA,"PDBC18604","698087","Present",NA,NA
+"18605","3,4-Bis(hydroxyimino)-2,5-diphenylhexanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis(hydroxyimino)-2,5-diphenylhexanedinitrile",NA,"C1=CC=C(C=C1)C(C#N)C(=NO)C(=NO)C(C#N)C2=CC=CC=C2","QMGCWINKDOTCDD-SVJWQLCWSA-N",135510121,NA,"PDBC18605","635392","Present",NA,NA
+"18606","3,4-Bis(phenylseleno)-2,5-furandione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis(phenylseleno)-2,5-furandione",NA,"C1=CC=C(C=C1)[Se]C2=C(C(=O)OC2=O)[Se]C3=CC=CC=C3","QNAWHENTNHXXSX-UHFFFAOYSA-N",362383,NA,"PDBC18606","626152","Present",NA,NA
+"18607","3,4-Bis-(4-methoxyphenyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-bis-(4-methoxyphenyl)-2(5H)-furanone",NA,"COC1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=C(C=C3)OC","IJFFKYIZAHUKCA-UHFFFAOYSA-N",14904973,NA,"PDBC18607","727207","Present",NA,NA
+"18608","3,4-Bis-allyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5H-furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis-allyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5H-furan-2-one",NA,"CC1(OCC(O1)C2C(=C(C(=O)O2)OCC=C)OCC=C)C","NUEFTURFZQMGGL-UHFFFAOYSA-N",386048,NA,"PDBC18608","677615","Present",NA,NA
+"18609","3,4-Bis-benzyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5H-furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis-benzyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-5H-furan-2-one",NA,"CC1(OCC(O1)C2C(=C(C(=O)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)C","PBXJCPIRBBYFQV-UHFFFAOYSA-N",386047,NA,"PDBC18609","677614","Present",NA,NA
+"18610","3,4-Bis-p-tolyloxy-5-p-tolyloxymethyl-tetrahydro-furan-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Bis-p-tolyloxy-5-p-tolyloxymethyl-tetrahydro-furan-2-carbonitrile",NA,"CC1=CC=C(C=C1)OCC2C(C(C(O2)C#N)OC3=CC=C(C=C3)C)OC4=CC=C(C=C4)C","UCMVEHZZLCIDFM-UHFFFAOYSA-N",390048,NA,"PDBC18610","686962","Present",NA,NA
+"18611","3,4-DICHLORO-4'-FLUOROCHALCONE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-DICHLORO-4'-FLUOROCHALCONE",NA,"C1=CC(=CC=C1C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)F","ZBJPOWYVNNEFRF-KRXBUXKQSA-N",5388422,NA,"PDBC18611","635957","Present",NA,NA
+"18612","3,4-Di(1-adamantyl)tetrahydro-3,4-thiophenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Di(1-adamantyl)tetrahydro-3,4-thiophenediol",NA,"C1C2CC3CC1CC(C2)(C3)C4(CSCC4(C56CC7CC(C5)CC(C7)C6)O)O","RMQKGNULRWIFRE-UHFFFAOYSA-N",372749,NA,"PDBC18612","648367","Present",NA,NA
+"18613","3,4-Di(1-naphthyl)-3-cyclobutene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Di(1-naphthyl)-3-cyclobutene-1,2-dione",NA,"C1=CC=C2C(=C1)C=CC=C2C3=C(C(=O)C3=O)C4=CC=CC5=CC=CC=C54","RVVINPXTKHEJOK-UHFFFAOYSA-N",363398,NA,"PDBC18613","628301","Present",NA,NA
+"18614","3,4-Dibenzyl-2,5-dimethylthiophene-S-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dibenzyl-2,5-dimethylthiophene-S-oxide",NA,"CC1=C(C(=C(S1=O)C)CC2=CC=CC=C2)CC3=CC=CC=C3","WYGKLUBPLMTKQG-UHFFFAOYSA-N",398745,NA,"PDBC18614","708876","Present",NA,NA
+"18615","3,4-Dibromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dibromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate",NA,"CC1=NN2C=CC(=C(C2=C1Br)Br)OC(=O)C","NAKVLOJIBIYNJJ-UHFFFAOYSA-N",386503,NA,"PDBC18615","678873","Present",NA,NA
+"18616","3,4-Dibromosulfolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-dibromosulfolane",NA,"C1C(C(CS1(=O)=O)Br)Br","CGWKQCYAMPDEGC-UHFFFAOYSA-N",85797,NA,"PDBC18616","75382","Present",NA,NA
+"18617","3,4-Dicaffeoylquinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dicaffeoylquinic acid",NA,"C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O","UFCLZKMFXSILNL-WIYVNLJQSA-N",5459216,NA,"PDBC18617","649410","Present",NA,NA
+"18618","3,4-Dichloro-1-(2,3,4-trichlorophenyl)pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-1-(2,3,4-trichlorophenyl)pyrrole-2,5-dione",NA,"C1=CC(=C(C(=C1N2C(=O)C(=C(C2=O)Cl)Cl)Cl)Cl)Cl","KFORIHBASFONEJ-UHFFFAOYSA-N",360329,NA,"PDBC18618","622377","Present",NA,NA
+"18619","3,4-Dichloro-1-(2-chlorophenyl)-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-1-(2-chlorophenyl)-1H-pyrrole-2,5-dione",NA,"C1=CC=C(C(=C1)N2C(=O)C(=C(C2=O)Cl)Cl)Cl","HMABFSHJGPPYEN-UHFFFAOYSA-N",360334,NA,"PDBC18619","622382","Present",NA,NA
+"18620","3,4-Dichloro-1-(3-chloro-2-methylphenyl)pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-1-(3-chloro-2-methylphenyl)-1H-pyrrole-2,5-dione",NA,"CC1=C(C=CC=C1Cl)N2C(=O)C(=C(C2=O)Cl)Cl","BTOZVQONCUGZDC-UHFFFAOYSA-N",360307,NA,"PDBC18620","622342","Present",NA,NA
+"18621","3,4-Dichloro-1-(3-methylphenyl)-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-1-(3-methylphenyl)-1H-pyrrole-2,5-dione",NA,"CC1=CC(=CC=C1)N2C(=O)C(=C(C2=O)Cl)Cl","RFPPQWGQWPTLDJ-UHFFFAOYSA-N",360306,NA,"PDBC18621","622341","Present",NA,NA
+"18622","3,4-Dichloro-1-[3-(3,4-dichloro-2,5-dioxopyrrol-1-yl)-2,2-dimethylpropyl]pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,2-Dimethyl)-1,3-propandiyl-bis(2,3-dichloro)maleimide",NA,"CC(C)(CN1C(=O)C(=C(C1=O)Cl)Cl)CN2C(=O)C(=C(C2=O)Cl)Cl","PCOXPBOKDABARQ-UHFFFAOYSA-N",357621,NA,"PDBC18622","617145","Present",NA,NA
+"18623","3,4-Dichloro-2-[4-[(3,4-dichloro-5-oxo-2H-furan-2-yl)oxy]but-2-ynoxy]-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-2-[4-[(3,4-dichloro-5-oxo-2H-furan-2-yl)oxy]but-2-ynoxy]-2H-furan-5-one",NA,"C(C#CCOC1C(=C(C(=O)O1)Cl)Cl)OC2C(=C(C(=O)O2)Cl)Cl","RVNZYECYGFHVQA-UHFFFAOYSA-N",353833,NA,"PDBC18623","603085","Present",NA,NA
+"18624","3,4-Dichloro-2h-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-dichlorocoumarin",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)Cl)Cl","LUXWWAWZBUBXEP-UHFFFAOYSA-N",282447,NA,"PDBC18624","135925","Present",NA,NA
+"18625","3,4-Dichloro-5-(2-(2,4-dichlorophenyl)-2-oxoethyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-5-(2-(2,4-dichlorophenyl)-2-oxoethyl)-2(5H)-furanone",NA,"C1=CC(=C(C=C1Cl)Cl)C(=O)CC2C(=C(C(=O)O2)Cl)Cl","PXRLVDGPDMTNGF-UHFFFAOYSA-N",362213,NA,"PDBC18625","625815","Present",NA,NA
+"18626","3,4-Dichloro-5-(2-(2-chlorophenyl)-2-oxoethyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-5-(2-(2-chlorophenyl)-2-oxoethyl)-2(5H)-furanone",NA,"C1=CC=C(C(=C1)C(=O)CC2C(=C(C(=O)O2)Cl)Cl)Cl","JEUZGICJQYCREJ-UHFFFAOYSA-N",366302,NA,"PDBC18626","634653","Present",NA,NA
+"18627","3,4-Dichloro-5-(2-(3,4-dichlorophenyl)-2-oxoethyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-5-(2-(3,4-dichlorophenyl)-2-oxoethyl)-2(5H)-furanone",NA,"C1=CC(=C(C=C1C(=O)CC2C(=C(C(=O)O2)Cl)Cl)Cl)Cl","HFXAUIWUJBKNPR-UHFFFAOYSA-N",364799,NA,"PDBC18627","631558","Present",NA,NA
+"18628","3,4-Dichloro-5-(2-(4-chloro-3-methoxyphenyl)-2-oxoethyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-5-(2-(4-chloro-3-methoxyphenyl)-2-oxoethyl)-2(5H)-furanone",NA,"COC1=C(C=CC(=C1)C(=O)CC2C(=C(C(=O)O2)Cl)Cl)Cl","DKWGKAKCJDUFCD-UHFFFAOYSA-N",366858,NA,"PDBC18628","635837","Present",NA,NA
+"18629","3,4-Dichloro-5-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-5-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-2(5H)-furanone",NA,"CC(C1C(=C(C(=O)O1)Cl)Cl)C(=O)C2=CC=C(C=C2)Cl","BAHJXRKPPQZQDT-UHFFFAOYSA-N",364792,NA,"PDBC18629","631551","Present",NA,NA
+"18630","3,4-Dichloro-5-(2-(4-chlorophenyl)-2-oxoethyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-5-(2-(4-chlorophenyl)-2-oxoethyl)-2(5H)-furanone",NA,"C1=CC(=CC=C1C(=O)CC2C(=C(C(=O)O2)Cl)Cl)Cl","LQYBKXDTOSRFSI-UHFFFAOYSA-N",362209,NA,"PDBC18630","625810","Present",NA,NA
+"18631","3,4-Dichloro-5-(2-(4-fluorophenyl)-2-oxoethyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-5-(2-(4-fluorophenyl)-2-oxoethyl)-2(5H)-furanone",NA,"C1=CC(=CC=C1C(=O)CC2C(=C(C(=O)O2)Cl)Cl)F","QQLDOYLCNGRCHX-UHFFFAOYSA-N",366303,NA,"PDBC18631","634654","Present",NA,NA
+"18632","3,4-Dichloro-5-(2-oxo-4-phenylbutyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-5-(2-oxo-4-phenylbutyl)-2(5H)-furanone",NA,"C1=CC=C(C=C1)CCC(=O)CC2C(=C(C(=O)O2)Cl)Cl","FMMIUQQAOAJHHY-UHFFFAOYSA-N",366783,NA,"PDBC18632","635557","Present",NA,NA
+"18633","3,4-Dichloro-N'-phenylbenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-N'-phenylbenzohydrazide",NA,"C1=CC=C(C=C1)NNC(=O)C2=CC(=C(C=C2)Cl)Cl","HXBPZFZVFVWUMI-UHFFFAOYSA-N",346727,NA,"PDBC18633","405029","Present",NA,NA
+"18634","3,4-Dichloro-N-((3-chloro-2-phenyl-6-quinoxalinyl)methyl)-N-(2-propynyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-N-((3-chloro-2-phenyl-6-quinoxalinyl)methyl)-N-(2-propynyl)aniline",NA,"C#CCN(CC1=CC2=C(C=C1)N=C(C(=N2)Cl)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl","KRZLIMVRFCIPJC-UHFFFAOYSA-N",374161,NA,"PDBC18634","651630","Present",NA,NA
+"18635","3,4-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline",NA,"CC(=NC1=CC(=C(C=C1)Cl)Cl)C2=CC=NC=C2","MZVUFYKOPKODJP-UHFFFAOYSA-N",383459,NA,"PDBC18635","671845","Present",NA,NA
+"18636","3,4-Dichloro-N-(3-methyl-1,3-oxazol-2(3H)-ylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-N-(3-methyl-1,3-oxazol-2(3H)-ylidene)aniline",NA,"CN1C=COC1=NC2=CC(=C(C=C2)Cl)Cl","MXPFEGCBXJXNHY-UHFFFAOYSA-N",377659,NA,"PDBC18636","659240","Present",NA,NA
+"18637","3,4-Dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyrid...",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)Cl)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","FUIJBKHVFIBTKM-UHFFFAOYSA-N",56649574,NA,"PDBC18637","753186","Present",NA,NA
+"18638","3,4-Dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyrid...",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl)Cl","JTSDTZUQEGTSCM-UHFFFAOYSA-N",56649611,NA,"PDBC18638","753185","Present",NA,NA
+"18639","3,4-Dichloro-N-[(3,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-N-[(3,4-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,"C1=CC(=CN=C1)CN(C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC(=C(C=C4)Cl)Cl","XAFRFNJWHJVPPP-UHFFFAOYSA-N",401369,NA,"PDBC18639","714681","Present",NA,NA
+"18640","3,4-Dichloro-N-[(E)-[(E)-1-phenylpent-1-en-3-ylidene]amino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-N-[(E)-[(E)-1-phenylpent-1-en-3-ylidene]amino]aniline",NA,"CCC(=NNC1=CC(=C(C=C1)Cl)Cl)C=CC2=CC=CC=C2","LTTOUUHVKAYFKL-JWEYOLHDSA-N",6244313,NA,"PDBC18640","382761","Present",NA,NA
+"18641","3,4-Dichloro-N-[1-(4-pyridyl)ethyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-N-[1-(4-pyridyl)ethyl]aniline",NA,"CC(C1=CC=NC=C1)NC2=CC(=C(C=C2)Cl)Cl","DASPUAXJMCSULV-UHFFFAOYSA-N",383454,NA,"PDBC18641","671840","Present",NA,NA
+"18642","3,4-Dichloro-N-phenylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloro-N-phenylbenzenesulfinamide",NA,"C1=CC=C(C=C1)NS(=O)C2=CC(=C(C=C2)Cl)Cl","ODBDGBFYDLCYTA-UHFFFAOYSA-N",385388,NA,"PDBC18642","676562","Present",NA,NA
+"18643","3,4-Dichloro-alpha-methylbenzeneethanamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-103271",NA,"CC(CC1=CC(=C(C=C1)Cl)Cl)N.Cl","OFHUVEDFQIRAKY-UHFFFAOYSA-N",201553,NA,"PDBC18643","93734","Present",NA,NA
+"18644","3,4-Dichlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone",NA,"CC1CCC2=C(C1)SC3=NC=NC(=C23)NN=CC4=CC(=C(C=C4)Cl)Cl","XJECBOIWACNDEV-LIMNOBDPSA-N",9555914,NA,"PDBC18644","653513","Present",NA,NA
+"18645","3,4-Dichlorobenzoic acid (2-benzylidenecyclohexylidene)amino ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629626",NA,"C1CCC(=NOC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=CC3=CC=CC=C3)C1","YSTDIKUIUMSQMQ-NCJNOBNRSA-N",5935456,NA,"PDBC18645","629626","Present",NA,NA
+"18646","3,4-Dichlorobenzyl)-2,5-dioxo-2,5-dihydro-1H-3-pyrrolylamino]phenylcarboxamido}benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-dichloro-1-{4-[4-chloro-1-(2,4-dichlorobenzyl)-2,5-d...",NA,"C1=CC(=CC=C1C(=O)NC2=CC(=CC(=C2)Cl)Cl)NC3=C(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)Cl","CWIRBAVARWSRTI-UHFFFAOYSA-N",1640162,NA,"PDBC18646","732697","Present",NA,NA
+"18647","3,4-Dichlorobenzyltriphenylphosphonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eulan nk",NA,"C1=CC=C(C=C1)[P+](CC2=CC(=C(C=C2)Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","LZXHHNKULPHARO-UHFFFAOYSA-M",77265,NA,"PDBC18647","71536","Present",NA,NA
+"18648","3,4-Dichlorobutane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichlorobutane-1,2-diol",NA,"C(C(C(CCl)Cl)O)O","LDOQHQCRWONJRZ-UHFFFAOYSA-N",353042,NA,"PDBC18648","600059","Present",NA,NA
+"18649","3,4-Dichloroisocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dichloroisocoumarin",NA,"C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl","SUGXUUGGLDCZKB-UHFFFAOYSA-N",1609,NA,"PDBC18649","727363","Present",NA,NA
+"18650","3,4-Diethoxy-4-methoxy-2-(2-methylallyl)cyclobut-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Diethoxy-4-methoxy-2-(2-methylallyl)cyclobut-2-en-1-one",NA,"CCOC1=C(C(=O)C1(OC)OCC)CC(=C)C","VLEUGYZIWVWOML-UHFFFAOYSA-N",394537,NA,"PDBC18650","698082","Present",NA,NA
+"18651","3,4-Dihydro-1H-1-benzazepine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-M3477",NA,"C1CC(=O)NC2=CC=CC=C2C1=O","VDTXDALRBZEUFV-UHFFFAOYSA-N",369398,NA,"PDBC18651","641163","Present",NA,NA
+"18652","3,4-Dihydro-1H-[1,4]thiazino[4,3-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-thia-1,8-diazatricyclo[7.4.0.0?,?]trideca-2,4,6,8-tetraene",NA,"C1CSCC2=NC3=CC=CC=C3N21","NSRQDOYLIDIRIG-UHFFFAOYSA-N",395900,NA,"PDBC18652","700995","Present",NA,NA
+"18653","3,4-Dihydro-1H-isoquinolin-2-yl(thiophen-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Thiophene-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline",NA,"C1CN(CC2=CC=CC=C21)C(=O)C3=CC=CS3","LDPPWKSSXULXNJ-UHFFFAOYSA-N",380532,NA,"PDBC18653","666145","Present",NA,NA
+"18654","3,4-Dihydro-2H-1,5-benzodithiepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydro-2H-1,5-benzodithiepine",NA,"C1CSC2=CC=CC=C2SC1","XIZWKFJENMQBFI-UHFFFAOYSA-N",373820,NA,"PDBC18654","650783","Present",NA,NA
+"18655","3,4-Dihydro-2H-pyrimido[2,1-b]benzothiazole-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydropyrimido[2,1-b][1,3]benzothiazol-2-one",NA,"C1CN2C3=CC=CC=C3SC2=NC1=O","CNRJARABPWJMGL-UHFFFAOYSA-N",397294,NA,"PDBC18655","704847","Present",NA,NA
+"18656","3,4-Dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-dihydro-3,3-dimethyl-2H-naphtho[2,3-b]pyran-5,10-dione",NA,"CC1(CC2=C(C(=O)C3=CC=CC=C3C2=O)OC1)C","ULXYWPKYMYLJBG-UHFFFAOYSA-N",178515,NA,"PDBC18656","662425","Present",NA,NA
+"18657","3,4-Dihydro-4-(3,4,5-trimethoxyphenyl)-6-(3,4-dimethoxyphenyl)pyrimidin-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-dihydro-4-(3,4,5-trimethoxyphenyl)-6-(3,4-dimethoxyp...",NA,"COC1=C(C=C(C=C1)C2=CC(NC(=O)N2)C3=CC(=C(C(=C3)OC)OC)OC)OC","VUSBBSCDHMMECT-UHFFFAOYSA-N",54589711,NA,"PDBC18657","754204","Present",NA,NA
+"18658","3,4-Dihydrocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"melilotin",NA,"C1CC(=O)OC2=CC=CC=C21","VMUXSMXIQBNMGZ-UHFFFAOYSA-N",660,NA,"PDBC18658","10121","Present",NA,NA
+"18659","3,4-Dihydrocyclobuta[c]isoquinoline-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydrocyclobuta[c]isoquinoline-1,2-dione",NA,"C1C2=CC=CC=C2C3=C(N1)C(=O)C3=O","YDXXODUTMJQYED-UHFFFAOYSA-N",375768,NA,"PDBC18659","655918","Present",NA,NA
+"18660","3,4-Dihydrodithiolo[4,3-d]pyrimidine-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-5,6-Dithioleno[4,3-d]uracil",NA,"C1C2=C(C(=O)NC(=O)N2)SS1","MADOTEVJKDEDPC-UHFFFAOYSA-N",388876,NA,"PDBC18660","684074","Present",NA,NA
+"18661","3,4-Dihydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,"CC(C)CC1=C2C(C(C(=C)C13CC3)O)C(C(C2=O)(C)C)O","HQWHTICQYSVZNN-UHFFFAOYSA-N",406835,NA,"PDBC18661","725126","Present",NA,NA
+"18662","3,4-Dihydroxy-2-(hydroxymethyl)-2-methyl-5-methylidene-7-(2-phenylethyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydroxy-2-(hydroxymethyl)-2-methyl-5-methylidene-7-(2-phenylethyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,"CC1(C(C2C(C(=C)C3(CC3)C(=C2C1=O)CCC4=CC=CC=C4)O)O)CO","TWXNZEWMABFFHW-UHFFFAOYSA-N",406852,NA,"PDBC18662","725143","Present",NA,NA
+"18663","3,4-Dihydroxy-2-methyl-1-pentofuranosylpyridin-1-ium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyridin-1-ium-3,4-diol;chloride",NA,"CC1=[N+](C=CC(=C1O)O)C2C(C(C(O2)CO)O)O.[Cl-]","BFWDYNSVTAYXBH-UHFFFAOYSA-N",24200222,NA,"PDBC18663","363806","Present",NA,NA
+"18664","3,4-Dihydroxy-2-methyl-17-(2-morpholin-4-ylethyl)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(morpholin-4-yl)ethyl]-L-olivosyl-AF (2N)",NA,"CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)CCN9CCOCC9)O)O","DXBAQAMYLCKDOJ-UHFFFAOYSA-N",155813715,NA,"PDBC18664","782957","Present",NA,NA
+"18665","3,4-Dihydroxy-2-methyl-17-(2-pyrrolidin-1-ylethyl)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaene-16,18-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(pyrrolidin-1-yl)-ethyl]-L-olivosyl-AF (2N)",NA,"CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)N(C6=O)CCN9CCCC9)O)O","XJYNVAXGGJANRW-UHFFFAOYSA-N",155807094,NA,"PDBC18665","782958","Present",NA,NA
+"18666","3,4-Dihydroxy-2-methyl-3,4-bis(p-tolyl)isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydroxy-2-methyl-3,4-bis(p-tolyl)isoquinolin-1-one",NA,"CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)N(C2(C4=CC=C(C=C4)C)O)C)O","UQRXVACWPANGTN-UHFFFAOYSA-N",387986,NA,"PDBC18666","682352","Present",NA,NA
+"18667","3,4-Dihydroxy-2-methyl-3,4-diphenyl-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydroxy-2-methyl-3,4-diphenyl-isoquinolin-1-one",NA,"CN1C(=O)C2=CC=CC=C2C(C1(C3=CC=CC=C3)O)(C4=CC=CC=C4)O","IYUOZWXCZKEYSV-UHFFFAOYSA-N",387985,NA,"PDBC18667","682351","Present",NA,NA
+"18668","3,4-Dihydroxy-3,4-bis(4-methoxyphenyl)-2-methyl-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydroxy-3,4-bis(4-methoxyphenyl)-2-methyl-isoquinolin-1-one",NA,"CN1C(=O)C2=CC=CC=C2C(C1(C3=CC=C(C=C3)OC)O)(C4=CC=C(C=C4)OC)O","PAGDRAMRAMMAND-UHFFFAOYSA-N",387987,NA,"PDBC18668","682353","Present",NA,NA
+"18669","3,4-Dihydroxy-5-(hydroxymethyl)-N'-(4-nitrophenyl)oxolane-2-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dihydroxy-5-(hydroxymethyl)-N'-(4-nitrophenyl)oxolane-2-carbohydrazide",NA,"C1=CC(=CC=C1NNC(=O)C2C(C(C(O2)CO)O)O)[N+](=O)[O-]","NIELHAKRVUBSSA-UHFFFAOYSA-N",3752295,NA,"PDBC18669","651808","Present",NA,NA
+"18670","3,4-Dihydroxy-5-methoxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-methoxyprotocatechualdehyde",NA,"COC1=CC(=CC(=C1O)O)C=O","RRKMWVISRMWBAL-UHFFFAOYSA-N",77535,NA,"PDBC18670","16679","Present",NA,NA
+"18671","3,4-Dihydroxy-5-methylfuran-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1519AE",NA,"CC1C(=C(C(=O)O1)O)O","ASEPVSZWYGTTAB-UHFFFAOYSA-N",54676244,NA,"PDBC18671","628296","Present",NA,NA
+"18672","3,4-Dihydroxybenzaldoxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC-13186",NA,"C1=CC(=C(C=C1C=NO)O)O","NUFMSECAGOXHAV-XBXARRHUSA-N",135482064,NA,"PDBC18672","637189","Present",NA,NA
+"18673","3,4-Dihydroxybenzylamine hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Benzenediol, 4-(aminomethyl)-, hydrobromide",NA,"C1=CC(=C(C=C1CN)O)O.Br","BVFZTXFCZAXSHN-UHFFFAOYSA-N",13343562,NA,"PDBC18673","263475","Present",NA,NA
+"18674","3,4-Dihydroxynaphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Hydroxy-3-naphthoic acid",NA,"C1=CC=C2C(=C1)C=C(C(=C2O)O)C(=O)O","BMHCSEJDJONPSF-UHFFFAOYSA-N",356138,NA,"PDBC18674","611228","Present",NA,NA
+"18675","3,4-Dimethoxy benzylidene pinacolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethoxy benzylidene pinacolone",NA,"CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)OC)OC","DUOQAPIZFRFCLJ-VQHVLOKHSA-N",6257227,NA,"PDBC18675","643173","Present",NA,NA
+"18676","3,4-Dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide",NA,"COC1=CC(=CC(=C1OC)NC(=O)C=CC2=CC=CC=C2)C(=O)N","TYNYUKVEHJDHSQ-CMDGGOBGSA-N",5472389,NA,"PDBC18676","718304","Present",NA,NA
+"18677","3,4-Dimethoxy-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethoxy-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,"COC1=C(C=C(C=C1)S(=O)(=O)NNS(=O)(=O)C)OC","WAUWNJCSMPTGTL-UHFFFAOYSA-N",368838,NA,"PDBC18677","640163","Present",NA,NA
+"18678","3,4-Dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethoxy-N-(4-methoxyphenyl)-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide",NA,"COC1=CC=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)C=CC3=CC=CC=C3","CMPPFKJTLMRARR-NTEUORMPSA-N",5472388,NA,"PDBC18678","718303","Present",NA,NA
+"18679","3,4-Dimethoxy-beta-methyl-beta-nitrostyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC243016",NA,"CC(=CC1=CC(=C(C=C1)OC)OC)[N+](=O)[O-]","JGFBGRHDJMANRR-SOFGYWHQSA-N",636709,NA,"PDBC18679","243016","Present",NA,NA
+"18680","3,4-Dimethoxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC11868///3,4-Dimethoxy benzylidene acetophenone",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2)OC","LSHZPTCZLWATBZ-CSKARUKUSA-N",5354494,NA,"PDBC18680","11868///643172","Present",NA,NA
+"18681","3,4-Dimethoxycinnamyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bmse010090",NA,"CC(=O)OCC=CC1=CC(=C(C=C1)OC)OC","MVLZLHBOBVWBQS-SNAWJCMRSA-N",5387771,NA,"PDBC18681","626951","Present",NA,NA
+"18682","3,4-Dimethoxycinnamyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bmse010077",NA,"COC1=C(C=C(C=C1)C=CCO)OC","OYICGYUCCHVYRR-ONEGZZNKSA-N",5387770,NA,"PDBC18682","626950","Present",NA,NA
+"18683","3,4-Dimethyl-1,7-dioxa-benzo[c]fluoren-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Benzofuro[2,3-h][1]benzopyran-2-one, 3,4-dimethyl-",NA,"CC1=C(C(=O)OC2=C1C=CC3=C2C4=CC=CC=C4O3)C","KSQINUQCATZCAZ-UHFFFAOYSA-N",371326,NA,"PDBC18683","645430","Present",NA,NA
+"18684","3,4-Dimethyl-1-thiaspiro[5.5]undec-3-en-7-one 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethyl-1-thiaspiro[5.5]undec-3-en-7-one 1-oxide",NA,"CC1=C(CS(=O)C2(C1)CCCCC2=O)C","HMFUWQKBVRLNAZ-UHFFFAOYSA-N",365164,NA,"PDBC18684","632303","Present",NA,NA
+"18685","3,4-Dimethyl-2,2,5-triphenyl-1-oxa-3-aza-2-boranuidacyclopentane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethyl-2,2,5-triphenyl-1-oxa-3-aza-2-boranuidacyclopentane",NA,NA,NA,NA,NA,"PDBC18685","667868","Present",NA,NA
+"18686","3,4-Dimethyl-5-methylsulfanyl-1-phenylpyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethyl-5-methylsulfanyl-1-phenylpyrazole",NA,"CC1=C(N(N=C1C)C2=CC=CC=C2)SC","AZKUMKIWHVOOLL-UHFFFAOYSA-N",358969,NA,"PDBC18686","619162","Present",NA,NA
+"18687","3,4-Dimethyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2)OCC=C3CCC(=O)O3)C","IOXBPFJQCJOPHO-KPKJPENVSA-N",24205385,NA,"PDBC18687","735337","Present",NA,NA
+"18688","3,4-Dimethyl-8,10-di-tert-butyl-1-thiaspiro[5.5]undeca-3,7,10-trien-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethyl-8,10-di-tert-butyl-1-thiaspiro[5.5]undeca-3,7,10-trien-9-one",NA,"CC1=C(CSC2(C1)C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C","VPKRLALJBOZADQ-UHFFFAOYSA-N",403532,NA,"PDBC18688","718548","Present",NA,NA
+"18689","3,4-Dimethylbenzo[g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethylbenzo[g]quinoline-4,10-dione",NA,"CC1=CN=C2C(=C1C)C(=O)C3=CC=CC=C3C2=O","MXDHBCCAQVBBFF-UHFFFAOYSA-N",389971,NA,"PDBC18689","686748","Present",NA,NA
+"18690","3,4-Dimethylpyrazolo[5,1-c][1,2,4]triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Dimethylpyrazolo[3,2-c]-as-triazine",NA,"CC1=C(N2C(=CC=N2)N=N1)C","JHCGJBGPFZGLDQ-UHFFFAOYSA-N",271622,NA,"PDBC18690","115526","Present",NA,NA
+"18691","3,4-Diphenyl-1-(2-phenylhydrazino)-1,2-diazetidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Diphenyl-1-(2-phenylhydrazino)-1,2-diazetidine",NA,"C1=CC=C(C=C1)C2C(N(N2)NNC3=CC=CC=C3)C4=CC=CC=C4","UEVZHRAFNXLDOE-UHFFFAOYSA-N",391900,NA,"PDBC18691","691581","Present",NA,NA
+"18692","3,4-Diphenylthiophene 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiophene, 3,4-diphenyl-, 1,1-dioxide",NA,"C1=CC=C(C=C1)C2=CS(=O)(=O)C=C2C3=CC=CC=C3","MAJKMBHWXWUJOH-UHFFFAOYSA-N",286726,NA,"PDBC18692","145830","Present",NA,NA
+"18693","3,4-Ditert-butylcyclobut-3-ene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-967/15490021",NA,"CC(C)(C)C1=C(C(=O)C1=O)C(C)(C)C","NJXACQUMLRHVDZ-UHFFFAOYSA-N",389285,NA,"PDBC18693","685038","Present",NA,NA
+"18694","3,4-Methylenedioxy-alpha-benzoyl cinnamonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Methylenedioxy-.alpha.-benzoyl cinnamonitrile",NA,"C1OC2=C(O1)C=C(C=C2)C=C(C#N)C(=O)C3=CC=CC=C3","FXLUHVPJUVHQOR-ZSOIEALJSA-N",7807804,NA,"PDBC18694","643167","Present",NA,NA
+"18695","3,4-Thiophenedimethanol, 2,5-di-1-naphthalenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Thiophenedimethanol, 2,5-di-1-naphthalenyl-",NA,"C1=CC=C2C(=C1)C=CC=C2C3=C(C(=C(S3)C4=CC=CC5=CC=CC=C54)CO)CO","CQNJBHKFCBTDRH-UHFFFAOYSA-N",363306,NA,"PDBC18695","628125","Present",NA,NA
+"18696","3,4-c']bis[1,2,5]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-c']bis[1,2,5]thiadiazole",NA,"CN1CCN(CC1)C2=CC3=NSN=C3C4=NSN=C24","OYFVVUBBSAJXEW-UHFFFAOYSA-N",378579,NA,"PDBC18696","661219","Present",NA,NA
+"18697","3,4-d]Pyridazin-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-diphenylisoxazolo[3,4-d]pyridazin-7(6H)-one",NA,"C1=CC=C(C=C1)C2=C3C(=NNC(=O)C3=NO2)C4=CC=CC=C4","AZCISMTZBICDFR-UHFFFAOYSA-N",54613569,NA,"PDBC18697","749505","Present",NA,NA
+"18698","3,4-dithenoyl-1,2,5-oxadiazole-N2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-dithenoyl-1,2,5-oxadiazole-N2-oxide",NA,"C1=CSC(=C1)C2=[N+](ONC2C(=O)C3=CC=CS3)[O-]","UHIJPASBKABNDY-UHFFFAOYSA-N",333142,NA,"PDBC18698","333205","Present",NA,NA
+"18699","3,4=Dihydroxy-N(2'-methoxybenzyl)cinnamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4=Dihydroxy-N(2'-methoxybenzyl)cinnamide",NA,"COC1=CC=CC=C1CNC(=O)C=CC2=CC(=C(C=C2)O)O","MBFUFMRRDBQDEW-VQHVLOKHSA-N",24205447,NA,"PDBC18699","735778","Present",NA,NA
+"18700","3,5'-Dicyanoindolyl)methane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-di(5,5'-dicyanoindolyl)methane",NA,"C1=CC2=C(C=C1C#N)C(=CN2)CC3=CNC4=C3C=C(C=C4)C#N","DMWCFGOCMUGPDE-UHFFFAOYSA-N",24205051,NA,"PDBC18700","734101","Present",NA,NA
+"18701","3,5,10,12,15,17,22,24,27,29,34,36-Dodecabutyl-7,8,19,20,31,32-hexathia-3,5,10,12,15,17,22,24,27,29,34,36-dodecazaheptacyclo[31.3.0.02,6.09,13.014,18.021,25.026,30]hexatriaconta-1(33),2(6),9(13),14(18),21(25),26(30)-hexaene-4,11,16,23,28,35-hexathione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,10,12,15,17,22,24,27,29,34,36-Dodecabutyl-7,8,19,20,31,32-hexathia-3,5,10,12,15,17,22,24,27,29,34,36-dodecazaheptacyclo[31.3.0.02,6.09,13.014,18.021,25.026,30]hexatriaconta-1(33),2(6),9(13),14(18)",NA,"CCCCN1C2=C(N(C1=S)CCCC)SSC3=C(C4=C(N(C(=S)N4CCCC)CCCC)SSC5=C(C6=C(N(C(=S)N6CCCC)CCCC)SSC7=C2N(C(=S)N7CCCC)CCCC)N(C(=S)N5CCCC)CCCC)N(C(=S)N3CCCC)CCCC","VDULWHKCIXXQDU-UHFFFAOYSA-N",397158,NA,"PDBC18701","704561","Present",NA,NA
+"18702","3,5,3',5'-Tetrabromobenzidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,3',5'-Tetrabromobenzidine",NA,"C1=C(C=C(C(=C1Br)N)Br)C2=CC(=C(C(=C2)Br)N)Br","XSSHPNOMIXIEKR-UHFFFAOYSA-N",383754,NA,"PDBC18702","672196","Present",NA,NA
+"18703","3,5,5-Trimethyl-6-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-2-cyclohexen-1-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,5-Trimethyl-6-(2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)-2-cyclohexen-1-one oxime",NA,"CC1=CC(=NO)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O","VAWMOPSDUFOXJN-FBCYGCLPSA-N",9571421,NA,"PDBC18703","659241","Present",NA,NA
+"18704","3,5,6,10b,11,12-Hexahydropyrrolo[3',4':5,6]pyrido[2,1-a]isoquinolin-1(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,6,10b,11,12-Hexahydropyrrolo[3',4':5,6]pyrido[2,1-a]isoquinolin-1(2H)-one",NA,"C1CC2=C(CNC2=O)N3C1C4=CC=CC=C4CC3","QKZUKVPKPXYYLF-UHFFFAOYSA-N",374531,NA,"PDBC18704","652281","Present",NA,NA
+"18705","3,5,6,6a-Tetrahydrocyclopenta[b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,6,6a-Tetrahydrocyclopenta[b]furan-2-one",NA,"C1CC2C(=C1)CC(=O)O2","UBZBTIIUSORUOZ-UHFFFAOYSA-N",359540,NA,"PDBC18705","620523","Present",NA,NA
+"18706","3,5,6-Trimethyl-2H-indazole-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,6-Trimethyl-2H-indazole-7-carboxylic acid",NA,"CC1=CC2=C(NN=C2C(=C1C)C(=O)O)C","LDVTWCHYRKMRQT-UHFFFAOYSA-N",360070,NA,"PDBC18706","621868","Present",NA,NA
+"18707","3,5,6-Triphenyl-3,4-diazabicyclo[4.2.0]oct-4-ene-7,8-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,6-Triphenyl-3,4-diazabicyclo[4.2.0]oct-4-ene-7,8-dicarbonitrile",NA,"C1C2C(C(C2(C(=NN1C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C#N)C#N","GNERHPWFZMFBRY-UHFFFAOYSA-N",318577,NA,"PDBC18707","255298","Present",NA,NA
+"18708","3,5,7-Triaza-1-azoniaadamantane, 1-(2-thienyl)-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexamethylenetetramine, compd. with thiophene, 2-(chloro...",NA,"C1N2CN3CN1C[N+](C2)(C3)CC4=CC=CS4.[Cl-]","JTQYWCBXUPIISX-UHFFFAOYSA-M",22730,NA,"PDBC18708","49660","Present",NA,NA
+"18709","3,5,7-Trimethyl-1-(oxan-2-ylmethoxy)-6-phenylpyrrolo[3,4-d]pyridazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,7-Trimethyl-1-(oxan-2-ylmethoxy)-6-phenylpyrrolo[3,4-d]pyridazin-4-one",NA,"CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(N=C2OCC4CCCCO4)C","XNMSDAOXPBMREX-UHFFFAOYSA-N",401033,NA,"PDBC18709","713738","Present",NA,NA
+"18710","3,5,7-Trimethyl-6-phenyl-1-(2-piperidin-1-ylethoxy)pyrrolo[3,4-d]pyridazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,7-Trimethyl-6-phenyl-4-(2-piperidin-1-ylethoxy)-2,6-dihydro-1h-pyrrolo[3,4-d]pyridazin-1-one",NA,"CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(N=C2OCCN4CCCCC4)C","XCTPOBATSCACNH-UHFFFAOYSA-N",401032,NA,"PDBC18710","713737","Present",NA,NA
+"18711","3,5,7-Trimethyl-6-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrrolo[3,4-d]pyridazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,7-Trimethyl-6-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butoxy]pyrrolo[3,4-d]pyridazin-4-one",NA,"CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(N=C2OCCCCN4CCN(CC4)C5=NC=CC=N5)C","GHMDPEPBXWRLFP-UHFFFAOYSA-N",401031,NA,"PDBC18711","713736","Present",NA,NA
+"18712","3,5,7-Triphenylisoxazolo[3,4-d]pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,7-Triphenyl-isoxazolo(3,4-d)pyrimidin-4,6-dione",NA,"C1=CC=C(C=C1)C2=C3C(=NO2)N(C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","IBZGFPOVRGHHMD-UHFFFAOYSA-N",387469,NA,"PDBC18712","681273","Present",NA,NA
+"18713","3,5,7-Tris(triphenylgermyl)tricyclo[2.2.1.0~2,6~]heptaphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4,5,6,7-Heptaphosphatricyclo[2.2.1.02,6]heptane;triphenylgermanium",NA,"C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)C3=CC=CC=C3.P1P2PP3P1P3P2","MCSQFBPQUWMEPV-UHFFFAOYSA-N",15954124,NA,"PDBC18713","625768","Present",NA,NA
+"18714","3,5-Bis((dimethylamino)methyl)-1,2-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A812615",NA,"CN(C)CC1=CC(=C(C(=C1)O)O)CN(C)C","GRBCQHDFWCSCPX-UHFFFAOYSA-N",236602,NA,"PDBC18714","39225","Present",NA,NA
+"18715","3,5-Bis((dimethylamino)methyl)-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis((dimethylamino)methyl)-1,3,5-thiadiazinane-2-thione",NA,"CN(C)CN1CN(C(=S)SC1)CN(C)C","ZFFHIQSKKULCPN-UHFFFAOYSA-N",225323,NA,"PDBC18715","14543","Present",NA,NA
+"18716","3,5-Bis((dimethylamino)methyl)-4-hydroxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis((dimethylamino)methyl)-4-hydroxybenzoic acid",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)O","YGQVYFAHDYFWHO-UHFFFAOYSA-N",236265,NA,"PDBC18716","38528","Present",NA,NA
+"18717","3,5-Bis(1H-indole-3-yl)pyrazine-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(1H-indole-3-yl)pyrazine-2(1H)-one",NA,"C1=CC=C2C(=C1)C(=CN2)C3=CNC(=O)C(=N3)C4=CNC5=CC=CC=C54","HWPGSZCQPDZPOZ-UHFFFAOYSA-N",396514,NA,"PDBC18717","702754","Present",NA,NA
+"18718","3,5-Bis(2-thienyl)-2-(3-thienyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(2-thienyl)-2-(3-thienyl)thiophene",NA,"C1=CSC(=C1)C2=CC(=C(S2)C3=CSC=C3)C4=CC=CS4","ZXIVSJHHNZJIKP-UHFFFAOYSA-N",376715,NA,"PDBC18718","657761","Present",NA,NA
+"18719","3,5-Bis(2-thienylmethylene)-1-methylpiperidine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706209",NA,"CN1CC(=CC2=CC=CS2)C(=O)C(=CC3=CC=CS3)C1","PLOKQQNJVRLWES-QHKWOANTSA-N",1564138,NA,"PDBC18719","706209","Present",NA,NA
+"18720","3,5-Bis(3,4-dichlorobenzylidene)-1-acryloylpiperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638644",NA,"C=CC(=O)N1CC(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)C1","FBZOBWNZGBPYHT-BGPOSVGRSA-N",5388807,NA,"PDBC18720","638644","Present",NA,NA
+"18721","3,5-Bis(3,4-dichlorobenzylidene)piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Piperidinone, 3,5-bis[(3,4-dichlorophenyl)methylene]-",NA,"C1C(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)CN1","GJPXGFGIFQWUOC-ACFHMISVSA-N",5388806,NA,"PDBC18721","638643","Present",NA,NA
+"18722","3,5-Bis(4-bromophenyl)-1-phenyl-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(4-bromophenyl)-1-phenyl-1,2,4-triazole",NA,"C1=CC=C(C=C1)N2C(=NC(=N2)C3=CC=C(C=C3)Br)C4=CC=C(C=C4)Br","HKDVNJUSVLHBGM-UHFFFAOYSA-N",394811,NA,"PDBC18722","698613","Present",NA,NA
+"18723","3,5-Bis(4-chlorobenzylidene)tetrahydro-2H-thiopyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670051",NA,"C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CS1","NUUZUMOYGRIQFX-KAVGSWPWSA-N",5907223,NA,"PDBC18723","670051","Present",NA,NA
+"18724","3,5-Bis(4-chlorophenyl)-1,2,4-dithiazol-2-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(4-chlorophenyl)-1,2,4-dithiazol-2-ium;iodide",NA,"C1=CC(=CC=C1C2=NC(=[S+]S2)C3=CC=C(C=C3)Cl)Cl.[I-]","ISZLZDPINBIDBV-UHFFFAOYSA-M",403928,NA,"PDBC18724","719677","Present",NA,NA
+"18725","3,5-Bis(4-hydroxy-4-methoxybenzylidene)-N-propyl-4-piperidon e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(4-hydroxy-4-methoxybenzylidene)-N-propyl-4-piper...",NA,"CCCN1CC(=CC2=CC(=C(C=C2)O)OC)C(=O)C(=CC3=CC(=C(C=C3)O)OC)C1","QEQQLTXYPHXCKT-XOBNHNQQSA-N",2053069,NA,"PDBC18725","721132","Present",NA,NA
+"18726","3,5-Bis(4-imino-4,5-dihydro-1,2,5-oxadiazol-3-yl)-1,2,4lambda~5~-oxadiazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(4-imino-4,5-dihydro-1,2,5-oxadiazol-3-yl)-1,2,4lambda~5~-oxadiazol-4-ol",NA,"C1(=NON=C1N)C2=NOC(=[N+]2[O-])C3=NON=C3N","OGJKQPAPWIJCOB-UHFFFAOYSA-N",394432,NA,"PDBC18726","697884","Present",NA,NA
+"18727","3,5-Bis(4-methoxyphenyl)-1-phenyl-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(4-methoxyphenyl)-1-phenyl-1,2,4-triazole",NA,"COC1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=C(C=C3)OC)C4=CC=CC=C4","KFGLAEHVEFYEOK-UHFFFAOYSA-N",394813,NA,"PDBC18727","698615","Present",NA,NA
+"18728","3,5-Bis(4-methoxyphenyl)-4H-isoxazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(4-methoxyphenyl)-4H-isoxazol-5-amine",NA,"COC1=CC=C(C=C1)C2=NOC(C2)(C3=CC=C(C=C3)OC)N","BIHQFPNJOBFAJC-UHFFFAOYSA-N",393587,NA,"PDBC18728","695658","Present",NA,NA
+"18729","3,5-Bis(benzenesulfonyl)-1-methyl-2-phenylpiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-phenyl-3,5-bis(phenylsulfonyl)piperidine",NA,"CN1CC(CC(C1C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","KEBDFLXGIMDMGQ-UHFFFAOYSA-N",400850,NA,"PDBC18729","713375","Present",NA,NA
+"18730","3,5-Bis(benzylidene)piperidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636674",NA,"C1C(=CC2=CC=CC=C2)C(C(=CC3=CC=CC=C3)CN1)O","ZYPHMHISTJAFFJ-JYFOCSDGSA-N",5388497,NA,"PDBC18730","636674","Present",NA,NA
+"18731","3,5-Bis(methylsulfanyl)-4-phenyldithiol-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC137044",NA,"CSC1=C(C(=[S+]S1)SC)C2=CC=CC=C2.[I-]","PPIARYVAVAKYJC-UHFFFAOYSA-M",2800736,NA,"PDBC18731","137044","Present",NA,NA
+"18732","3,5-Bis(methylsulfanyl)dithiol-1-ium-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(methylsulfanyl)dithiol-1-ium-4-olate",NA,"CSC1=C(C(=[S+]S1)SC)[O-]","AMSLVAGKYMPJGI-UHFFFAOYSA-N",362515,NA,"PDBC18732","626539","Present",NA,NA
+"18733","3,5-Bis(phenylsulfonyl)-3,6-dihydro-2H-pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(phenylsulfonyl)-3,6-dihydro-2H-pyran",NA,"C1C(C=C(CO1)S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","IUGGSBVJLLQNOV-UHFFFAOYSA-N",361139,NA,"PDBC18733","623971","Present",NA,NA
+"18734","3,5-Bis(trifluoromethyl)-N-[4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-bis(trifluoromethyl)-N-(4-(3,4,5-trimethoxyphenyl)th...",NA,"COC1=CC(=CC(=C1OC)OC)C2=CSC(=N2)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","BMUXSABZEQWABF-UHFFFAOYSA-N",155810236,NA,"PDBC18734","786084","Present",NA,NA
+"18735","3,5-Bis-(2'-thienyl)-pyrrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5'-diformyl-2,5-bis-(2'-thienyl)-pyrrol",NA,"C1=CSC(=C1)C2=C(C=C(N2)C3=CC=C(S3)C=O)C=O","KVJCQPBWIHKPND-UHFFFAOYSA-N",396573,NA,"PDBC18735","703062","Present",NA,NA
+"18736","3,5-Bis[(E)-2-(2-chlorophenyl)ethenyl]-1,2,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis[(E)-2-(2-chlorophenyl)ethenyl]-1,2,4-thiadiazole",NA,"C1=CC=C(C(=C1)C=CC2=NSC(=N2)C=CC3=CC=CC=C3Cl)Cl","IJEXRKUJUYAVJY-WGDLNXRISA-N",5471100,NA,"PDBC18736","708449","Present",NA,NA
+"18737","3,5-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-N-(4-methylphenyl)pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(4-methylphenyl)-1H...",NA,"CC1=CC=C(C=C1)NC(=O)N2C(=CC(=N2)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC","AICWVPUWQRFZDN-PWHKKFIBSA-N",155815984,NA,"PDBC18737","763373","Present",NA,NA
+"18738","3,5-Bis[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-thiadiazole",NA,"COC1=CC=C(C=C1)C=CC2=NSC(=N2)C=CC3=CC=C(C=C3)OC","IBWHIMRWWXHIFU-FNCQTZNRSA-N",5471099,NA,"PDBC18738","708448","Present",NA,NA
+"18739","3,5-Bis[4-(dimethylamino)benzylidene]-4-oxopiperidine-1-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis[4-(dimethylamino)benzylidene]-4-oxopiperidine-1-carboxylic acid ethyl ester",NA,"CCOC(=O)N1CC(=CC2=CC=C(C=C2)N(C)C)C(=O)C(=CC3=CC=C(C=C3)N(C)C)C1","HOAKJJGMYDFZRN-YHARCJFQSA-N",5387105,NA,"PDBC18739","620460","Present",NA,NA
+"18740","3,5-Bis[4-(dimethylamino)benzylidene]piperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis[4-(dimethylamino)benzylidene]piperidin-4-one",NA,"CN(C)C1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)N(C)C)C2=O","PQXIGFCAMSKVHL-IWGRKNQJSA-N",5387024,NA,"PDBC18740","619904","Present",NA,NA
+"18741","3,5-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzonitrile",NA,"CC(C)(C)C1=CC=C(C=C1)C2=NN=C(O2)C3=CC(=CC(=C3)C#N)C4=NN=C(O4)C5=CC=C(C=C5)C(C)(C)C","DYWOLUNDCJMYNF-UHFFFAOYSA-N",395140,NA,"PDBC18741","699431","Present",NA,NA
+"18742","3,5-Di(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Di(2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole",NA,"C1C(N(N=C1C2=CC=CO2)C3=CC=CC=C3)C4=CC=CO4","SDXIQGSOAFXCLC-UHFFFAOYSA-N",376137,NA,"PDBC18742","656630","Present",NA,NA
+"18743","3,5-Di(5-hexenyl)pyrrolizidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Di(5-hexenyl)pyrrolizidine",NA,"C=CCCCCC1CCC2N1C(CC2)CCCCC=C","ALDGBHHVYHPHIJ-UHFFFAOYSA-N",370506,NA,"PDBC18743","643727","Present",NA,NA
+"18744","3,5-Di(cyclododecyl)-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dicyclododecyl-1,3,5-thiadiazinane-2-thione",NA,"C1CCCCCC(CCCCC1)N2CN(C(=S)SC2)C3CCCCCCCCCCC3","CJFAIXBNZPIDFS-UHFFFAOYSA-N",308396,NA,"PDBC18744","209910","Present",NA,NA
+"18745","3,5-Di-tert-butyl-5-methoxy-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Di-tert-butyl-5-methoxy-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide",NA,"CC(C)(C)C1=CC(OP1(=O)O)(C(C)(C)C)OC","DDEXGUAPNVKCGP-UHFFFAOYSA-N",380879,NA,"PDBC18745","666663","Present",NA,NA
+"18746","3,5-Di-tert-butylcatechol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-di-t-butylcatechol",NA,"CC(C)(C)C1=CC(=C(C(=C1)O)O)C(C)(C)C","PJZLSMMERMMQBJ-UHFFFAOYSA-N",66099,NA,"PDBC18746","59767","Present",NA,NA
+"18747","3,5-Diamino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-diamino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide",NA,"C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)N3C4=C(C=C(C=C4)N)C(=N3)N","ZNDPIOYAEWRJHZ-UHFFFAOYSA-N",51033079,NA,"PDBC18747","749553","Present",NA,NA
+"18748","3,5-Diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),5,9,11,13,15,17,19-octaene-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Diazapentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),5,9,11,13,15,17,19-octaene-4-thione",NA,"C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C3NC(=S)N=C5","VQHLPXUCLDCKEW-UHFFFAOYSA-N",3004458,NA,"PDBC18748","656747","Present",NA,NA
+"18749","3,5-Dibenzoyl-1-methyl-2(1H)-pyridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dibenzoyl-1-methyl-2(1H)-pyridinone",NA,"CN1C=C(C=C(C1=O)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","ZLIDGOQBQNBBKL-UHFFFAOYSA-N",370866,NA,"PDBC18749","644599","Present",NA,NA
+"18750","3,5-Dibenzylidene-1-acryloylpiperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 1-(1-oxo-2-propenyl)-3,5-bis(phenyl- met...",NA,"C=CC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","FYXRGLSUYBQDPY-IWGRKNQJSA-N",5351364,NA,"PDBC18750","632841","Present",NA,NA
+"18751","3,5-Dibromo-2-((4-(2,4-dibromo-6-carboxyphenoxy)-2-(2-(2,4-dibromo-6-carboxyphenoxy)-2-oxoethyl)-4-oxobutanoyl)oxy)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dibromo-2-[5-(2,4-dibromo-6-carboxyphenoxy)-3-(2,4-dibromo-6-carboxyphenoxy)carbonyl-5-oxopentanoyl]oxybenzoic acid",NA,"C1=C(C=C(C(=C1C(=O)O)OC(=O)CC(CC(=O)OC2=C(C=C(C=C2Br)Br)C(=O)O)C(=O)OC3=C(C=C(C=C3Br)Br)C(=O)O)Br)Br","ZOWYDMLEWWNBIV-UHFFFAOYSA-N",375451,NA,"PDBC18751","655183","Present",NA,NA
+"18752","3,5-Dibromo-2-chloro-4-isothiocyanatosalicylanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Compound 77-6",NA,"C1=CC(=C(C=C1N=C=S)Cl)NC(=O)C2=C(C(=CC(=C2)Br)Br)O","HIJLHRKFBDDOIL-UHFFFAOYSA-N",175110,NA,"PDBC18752","293061","Present",NA,NA
+"18753","3,5-Dibromo-2-hydroxy-4-methoxybenzeneacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,5-Dibromo-2-hydroxy-4-methoxyphenyl)acetamide",NA,"COC1=C(C=C(C(=C1Br)O)CC(=O)N)Br","HYSCKVWJOHVFAE-UHFFFAOYSA-N",360190,NA,"PDBC18753","622162","Present",NA,NA
+"18754","3,5-Dibromo-4-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dibromo-4-[2-(8-oxoquinolin-5-ylidene)hydrazinyl]benzenesulfonamide",NA,"C1=CC2=C(C=CC(=C2N=C1)O)N=NC3=C(C=C(C=C3Br)S(=O)(=O)N)Br","LYDXIMLSHYTFLA-UHFFFAOYSA-N",271001,NA,"PDBC18754","114381","Present",NA,NA
+"18755","3,5-Dibromo-N'-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salicylic acid, 3,5-dibromo-,(antipyrinylmethylene)hydra...",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=C(C(=CC(=C3)Br)Br)O","MCHSUKWGSALGLY-LSHDLFTRSA-N",9571390,NA,"PDBC18755","651704","Present",NA,NA
+"18756","3,5-Dibromotyrosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"biotiren",NA,"C1=C(C=C(C(=C1Br)O)Br)CC(C(=O)O)N","COESHZUDRKCEPA-UHFFFAOYSA-N",10833,NA,"PDBC18756","210786","Present",NA,NA
+"18757","3,5-Dichloro-2-(3-fluoroazulen-1-yl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-2-(3-fluoroazulen-1-yl)pyridine",NA,"C1=CC=C2C(=C(C=C2C3=C(C=C(C=N3)Cl)Cl)F)C=C1","KDXMUIFUWBJWFQ-UHFFFAOYSA-N",394238,NA,"PDBC18757","697567","Present",NA,NA
+"18758","3,5-Dichloro-2-hydroxybenzenesulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-2-hydroxybenzenesulfinic acid",NA,"C1=C(C=C(C(=C1S(=O)O)O)Cl)Cl","ADJSUQLUCKLDME-UHFFFAOYSA-N",361227,NA,"PDBC18758","624184","Present",NA,NA
+"18759","3,5-Dichloro-4,6-dimethoxy-2-pyridinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-4,6-dimethoxypicolinic acid",NA,"COC1=C(C(=NC(=C1Cl)OC)C(=O)O)Cl","NSTOCIMDXNJPDO-UHFFFAOYSA-N",372824,NA,"PDBC18759","648486","Present",NA,NA
+"18760","3,5-Dichloro-4-((triphenylphosphoranylidene)amino)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-4-((triphenylphosphoranylidene)amino)-2(5H)-furanone",NA,"C1=CC=C(C=C1)P(=NC2=C(C(=O)OC2Cl)Cl)(C3=CC=CC=C3)C4=CC=CC=C4","OMEPAWCLCAUPJN-UHFFFAOYSA-N",372730,NA,"PDBC18760","648321","Present",NA,NA
+"18761","3,5-Dichloro-4-[3-(3,4-dichlorophenylcarbamoyl)thioureido]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-4-[3-(3,4-dichlorophenylcarbamoyl)thioureido]benzenesulfonamide",NA,"C1=CC(=C(C=C1NC(=O)NC(=S)NC2=C(C=C(C=C2Cl)S(=O)(=O)N)Cl)Cl)Cl","IGMGXAZDAFZRLD-UHFFFAOYSA-N",5471307,NA,"PDBC18761","710330","Present",NA,NA
+"18762","3,5-Dichloro-4-hydroxybenzenesulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-4-hydroxybenzenesulfinic acid",NA,"C1=C(C=C(C(=C1Cl)O)Cl)S(=O)O","XNBXXDJLLSQLKA-UHFFFAOYSA-N",361231,NA,"PDBC18762","624188","Present",NA,NA
+"18763","3,5-Dichloro-4-ureidobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,6-dichloro-4-sulfamoyl-phenyl)urea",NA,"C1=C(C=C(C(=C1Cl)NC(=O)N)Cl)S(=O)(=O)N","YAWHCILZNKPGCJ-UHFFFAOYSA-N",396511,NA,"PDBC18763","702696","Present",NA,NA
+"18764","3,5-Dichloro-4H-1,2,6-thiadiazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EH00008",NA,"C1(=O)C(=NSN=C1Cl)Cl","ZKHPZXACANWNKQ-UHFFFAOYSA-N",354026,NA,"PDBC18764","603974","Present",NA,NA
+"18765","3,5-Dichloro-6,6-dimethyl-2-oxocanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-6,6-dimethyl-2-oxocanone",NA,"CC1(CCOC(=O)C(CC1Cl)Cl)C","ALJOJUWYOAXJJJ-UHFFFAOYSA-N",381176,NA,"PDBC18765","667506","Present",NA,NA
+"18766","3,5-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-N-(1-(4-pyridinyl)ethylidene)aniline",NA,"CC(=NC1=CC(=CC(=C1)Cl)Cl)C2=CC=NC=C2","CSOOXWOHNIBLNL-UHFFFAOYSA-N",383458,NA,"PDBC18766","671844","Present",NA,NA
+"18767","3,5-Dichloro-N-(3-((3,5-dichlorophenyl)imino)-1-propenyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-N-(3-((3,5-dichlorophenyl)imino)-1-propenyl)aniline",NA,"C1=C(C=C(C=C1Cl)Cl)NC=CC=NC2=CC(=CC(=C2)Cl)Cl","WCKYYJKBGZSGCJ-AICBQUQRSA-N",6163489,NA,"PDBC18767","676471","Present",NA,NA
+"18768","3,5-Dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-dichloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyrid...",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)Cl)Cl)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","LGBCAFYBTJLRNT-UHFFFAOYSA-N",56935331,NA,"PDBC18768","753190","Present",NA,NA
+"18769","3,5-Dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-dichloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyrid...",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)Cl)Cl)Cl","INMVLMGVGSFTNT-UHFFFAOYSA-N",56935209,NA,"PDBC18769","753189","Present",NA,NA
+"18770","3,5-Dichloro-N-[(3,5-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-N-[(3,5-dichlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,"C1=CC(=CN=C1)CN(C(=O)C2=CC(=CC(=C2)Cl)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC(=CC(=C4)Cl)Cl","FNSGPGIJERUJHD-UHFFFAOYSA-N",401370,NA,"PDBC18770","714682","Present",NA,NA
+"18771","3,5-Dichloro-N-[1-(4-pyridyl)ethyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-N-[1-(4-pyridyl)ethyl]aniline",NA,"CC(C1=CC=NC=C1)NC2=CC(=CC(=C2)Cl)Cl","LWNFVBOGQISNQB-UHFFFAOYSA-N",383453,NA,"PDBC18771","671839","Present",NA,NA
+"18772","3,5-Dichloro-N-[1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-N-[1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]benzenesulfonamide",NA,"CCCCCCCCCCCCOC1C2C(OC1C(CC(=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)NS(=O)(=O)C5=CC(=CC(=C5)Cl)Cl)OC(O2)(C)C","BSPYSXRTXFXINB-UHFFFAOYSA-N",45028445,NA,"PDBC18772","742859","Present",NA,NA
+"18773","3,5-Diethylpyrazolium-trans-[tetrachlorobis(3,5-diethyl-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Diethylpyrazolium-trans-[tetrachlorobis(3,5-diethyl-...",NA,NA,NA,NA,NA,"PDBC18773","632618","Present",NA,NA
+"18774","3,5-Dihydro-2H-benzo[i][1,5]benzothiazepine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dihydro-2H-benzo[i][1,5]benzothiazepine-4-thione",NA,"C1CSC2=C(C=CC3=CC=CC=C32)NC1=S","WSPRARVJWWTPTP-UHFFFAOYSA-N",3005007,NA,"PDBC18774","667468","Present",NA,NA
+"18775","3,5-Dihydro-8-methoxy-4H-pyridazino(4,5-b)indol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Pyridazino[4,5-b]indol-4-one, 4,5-dihydro-7-methoxy-",NA,"COC1=CC2=C(C=C1)NC3=C2C=NNC3=O","JJFRRONWXDVIDD-UHFFFAOYSA-N",135429981,NA,"PDBC18775","629657","Present",NA,NA
+"18776","3,5-Dihydrodinaphtho[2,1-c:1,2-e]thiepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Thiapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene",NA,"C1C2=C(C3=CC=CC=C3C=C2)C4=C(CS1)C=CC5=CC=CC=C54","OGYUAGGBMMVBML-UHFFFAOYSA-N",387863,NA,"PDBC18776","682074","Present",NA,NA
+"18777","3,5-Dihydropurine-6-thione;8-[3-(dimethylamino)propoxy]-1,3,7-trimethylpurine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purine-2,6-dione, 8-[3-(dimethylamino)propoxy]-3,7- d...",NA,"CN1C2=C(N=C1OCCCN(C)C)N(C(=O)N(C2=O)C)C.C1=NC(=S)C2C(=NC=N2)N1","SHQNHQQMKUHELL-UHFFFAOYSA-N",5477848,NA,"PDBC18777","361887","Present",NA,NA
+"18778","3,5-Dihydroxy-4-(2,4,6-trihydroxybenzylidene)-2,5-cyclohexadien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dihydroxy-4-(2,4,6-trihydroxybenzylidene)-2,5-cyclohexadien-1-one",NA,"C1=C(C=C(C(=C1O)C=C2C(=CC(=O)C=C2O)O)O)O","SZHCFCCYPWQRPX-UHFFFAOYSA-N",361651,NA,"PDBC18778","624869","Present",NA,NA
+"18779","3,5-Dimethoxy-N-(4-Methoxyphenyl)Benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dimethoxy-N-(4-Methoxyphenyl)Benzamide",NA,"COC1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)OC)OC","NGIDRYCBDLWOSR-UHFFFAOYSA-N",364714,NA,"PDBC18779","631372","Present",NA,NA
+"18780","3,5-Dimethoxy-alpha-phenylcinnamonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dimethoxy-.alpha.-phenylcinnamonitrile",NA,"COC1=CC(=CC(=C1)C=C(C#N)C2=CC=CC=C2)OC","MELXPLVGNPKXBN-OVCLIPMQSA-N",5913857,NA,"PDBC18780","643185","Present",NA,NA
+"18781","3,5-Dimethoxyamphetamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-(+)-1-(3,5-Dimethoxybenzyl)ethylammonium chloride",NA,"CC(CC1=CC(=CC(=C1)OC)OC)N.Cl","KGMFIIRMHHMLND-UHFFFAOYSA-N",91246,NA,"PDBC18781","660980","Present",NA,NA
+"18782","3,5-Dimethyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dimethyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone",NA,"CC1C(N(C(C(C1=O)C)C2=CC=CS2)N=O)C3=CC=CS3","FKKUJOQDPUXLPP-UHFFFAOYSA-N",362608,NA,"PDBC18782","626738","Present",NA,NA
+"18783","3,5-Dimethyl-1-nitroso-2,6-diphenyl-4-piperidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-dimethyl-1-nitroso-2,6-diphenyl-",NA,"CC1C(N(C(C(C1=O)C)C2=CC=CC=C2)N=O)C3=CC=CC=C3","YUHUPQOJSQYNQE-UHFFFAOYSA-N",362605,NA,"PDBC18783","626735","Present",NA,NA
+"18784","3,5-Dimethyl-1-nitroso-2,6-diphenylpiperidin-4-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dimethyl-1-nitroso-2,6-diphenylpiperidin-4-one oxime",NA,"CC1C(N(C(C(C1=NO)C)C2=CC=CC=C2)N=O)C3=CC=CC=C3","OKZJJNGCIWTGDK-UHFFFAOYSA-N",376286,NA,"PDBC18784","657000","Present",NA,NA
+"18785","3,5-Dimethyl-3,4-dihydro-2H-pyrimido(4,5-e)(1,3)oxazine-6,8(5H,7H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Pyrimido[4,5-e][1,3]oxazin-2-one, 1,6,7,8-tetrahydro-...",NA,"CN1CC2=C(C(=O)NC(=O)N2C)OC1","MQKKBAAGUMVKAX-UHFFFAOYSA-N",265772,NA,"PDBC18785","102268","Present",NA,NA
+"18786","3,5-Dimethyl[1,1'-biphenyl]-2-yl 1-naphthylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dimethyl[1,1'-biphenyl]-2-yl 1-naphthylcarbamate",NA,"CC1=CC(=C(C(=C1)C2=CC=CC=C2)OC(=O)NC3=CC=CC4=CC=CC=C43)C","MBUINHZVXPNNPJ-UHFFFAOYSA-N",382570,NA,"PDBC18786","670178","Present",NA,NA
+"18787","3,5-Dimethylphenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL353617",NA,"CC1=CC(=CC(=C1)NC(=S)N)C","XOAYHDJRYDSPJZ-UHFFFAOYSA-N",736215,NA,"PDBC18787","637006","Present",NA,NA
+"18788","3,5-Dinitro-9H-carbazol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dinitro-9H-carbazol-2-ol",NA,"C1=CC2=C(C(=C1)[N+](=O)[O-])C3=CC(=C(C=C3N2)O)[N+](=O)[O-]","XXNPDSVYGMLCHO-UHFFFAOYSA-N",3833937,NA,"PDBC18788","652557","Present",NA,NA
+"18789","3,5-Dinitro-N-(4-sulfamoylphenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK402119",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)N","OADUVQZRHQQHBD-UHFFFAOYSA-N",403857,NA,"PDBC18789","719390","Present",NA,NA
+"18790","3,5-Dinitro-N-(5-propoxy-1,3-benzothiazol-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dinitro-N-(5-propoxy-1,3-benzothiazol-2-yl)benzamide",NA,"CCCOC1=CC2=C(C=C1)SC(=N2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","RMVOEFKIZWQJAB-UHFFFAOYSA-N",404119,NA,"PDBC18790","720242","Present",NA,NA
+"18791","3,5-Dinitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nitromide",NA,"C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N","UUKWKUSGGZNXGA-UHFFFAOYSA-N",4511,NA,"PDBC18791","60719","Present",NA,NA
+"18792","3,5-Dinitrobenzoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-dinitrobenzoyl chloride",NA,"C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)Cl","NNOHXABAQAGKRZ-UHFFFAOYSA-N",7432,NA,"PDBC18792","2697","Present",NA,NA
+"18793","3,5-Dioxo-N,4-diphenyl-1,2,4-triazolidine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dioxo-N,4-diphenyl-1,2,4-triazolidine-1-carboxamide",NA,"C1=CC=C(C=C1)NC(=O)N2C(=O)N(C(=O)N2)C3=CC=CC=C3","VYOPQSJWBHYPOC-UHFFFAOYSA-N",391645,NA,"PDBC18793","691131","Present",NA,NA
+"18794","3,5-Diphenyl-1,3-oxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Diphenyloxazol-2-one",NA,"C1=CC=C(C=C1)C2=CN(C(=O)O2)C3=CC=CC=C3","UITGJGFRSWHSBB-UHFFFAOYSA-N",461786,NA,"PDBC18794","619202","Present",NA,NA
+"18795","3,5-Diphenyl-7-(4-methoxyphenyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Diphenyl-7-(4-methoxyphenyl)-6,7-dihydro[1,2,3]triazolo[1,5-a]pyrimidine",NA,"COC1=CC=C(C=C1)C2CC(=NC3=C(N=NN23)C4=CC=CC=C4)C5=CC=CC=C5","NWBOGYWKIXUSGS-UHFFFAOYSA-N",404634,NA,"PDBC18795","721062","Present",NA,NA
+"18796","3,5-Dipyrrolidinylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dipyrrolidinylphenol",NA,"C1CCN(C1)C2=CC(=CC(=O)C2)N3CCCC3","YCEAUXSKAJXVNA-UHFFFAOYSA-N",374548,NA,"PDBC18796","652299","Present",NA,NA
+"18797","3,5-Diyl)bis(5-chloro-1-methyl-1H-indole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3?-(1H-pyrrole-2,5-diyl)bis(5-chloro-1-methyl-1H-indole)",NA,"CN1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(N3)C4=CN(C5=C4C=C(C=C5)Cl)C","NCGZRQCAVPMZRF-UHFFFAOYSA-N",45028129,NA,"PDBC18797","741212","Present",NA,NA
+"18798","3,5-Diyl)bis(5-methoxy-1-methyl-1H-indole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3?-(1H-pyrrole-2,5-diyl)bis(5-methoxy-1-methyl-1H-indole)",NA,"CN1C=C(C2=C1C=CC(=C2)OC)C3=CC=C(N3)C4=CN(C5=C4C=C(C=C5)OC)C","DOHOSOBPHGDFBN-UHFFFAOYSA-N",45028128,NA,"PDBC18798","741211","Present",NA,NA
+"18799","3,5-Diylbis(5-methoxy-1H-indole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3?-THIENE-2,5-DIYLBIS(5-METHOXY-1H-INDOLE)",NA,"COC1=CC2=C(C=C1)NC=C2C3=CC=C(S3)C4=CNC5=C4C=C(C=C5)OC","NNPXTSJASGWGIW-UHFFFAOYSA-N",16739281,NA,"PDBC18799","740108","Present",NA,NA
+"18800","3,5-Methano-2H-cyclopenta[b]furan-7-carboxylic acid, hexahydro-6-iodo-2-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-iodo-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate",NA,"COC(=O)C1C2CC3C1C(=O)OC3C2I","VIPICYHXHUTBCQ-UHFFFAOYSA-N",360982,NA,"PDBC18800","623713","Present",NA,NA
+"18801","3,5-Pyridinedicarboxamide, 1,4-dihydro-N,N',4-tris(2-methoxyphenyl)-2,6-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Pyridinedicarboxamide, 1,4-dihydro-N,N',4-tris(2-methoxyphenyl)-2,6-dimethyl-",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3OC)C(=O)NC4=CC=CC=C4OC","LAEKSXSPCRYHFM-UHFFFAOYSA-N",364527,NA,"PDBC18801","630913","Present",NA,NA
+"18802","3,5-Pyridinedicarboxamide, 4-(2-furanyl)-1,4-dihydro-N,N'-bis(2-methoxyphenyl)-2,6-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Pyridinedicarboxamide, 4-(2-furanyl)-1,4-dihydro-N,N'-bis(2-methoxyphenyl)-2,6-dimethyl-",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CO3)C(=O)NC4=CC=CC=C4OC","BOJPYUTWNCAHQT-UHFFFAOYSA-N",361074,NA,"PDBC18802","623879","Present",NA,NA
+"18803","3,5-Pyridinedicarboxamide, 4-[4-(dimethylamino)phenyl]-1,4-dihydro-2,6-dimethyl-N,N'-bis(2-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Dimethylaminophenyl)-2,6-dimethyl-N3,N5-bis(o-tolyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=CC=C4C)C)C","XEKWSWMODRTLBO-UHFFFAOYSA-N",366166,NA,"PDBC18803","634493","Present",NA,NA
+"18804","3,5-Pyridinedicarboxamide, 4-[4-[1,4-dihydro-3,5-bis[[(2-methylphenyl)amino]carbonyl]-4-pyridinyl]phenyl]-1,4-dihydro-2,6-dimethyl-N,N'-bis(2-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[3,5-Bis[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=CNC=C(C2C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5C)C)C)C(=O)NC6=CC=CC=C6C)C(=O)NC7=CC=CC=C7C","WHAUSGHILKMKSL-UHFFFAOYSA-N",365834,NA,"PDBC18804","633909","Present",NA,NA
+"18805","3,5-Pyridinedicarboxamide, N,N'-bis(3-chlorophenyl)-1,4-dihydro-4-(2-hydroxyphenyl)-2,6-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Pyridinedicarboxamide, N,N'-bis(3-chlorophenyl)-1,4-dihydro-4-(2-hydroxyphenyl)-2,6-dimethyl-",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3O)C(=O)NC4=CC(=CC=C4)Cl","STACVIOGUYOYFV-UHFFFAOYSA-N",367670,NA,"PDBC18805","637600","Present",NA,NA
+"18806","3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, bis[2-(2-cyanoacetyl)hydrazide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N',5-N'-Bis(2-cyanoacetyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbohydrazide",NA,"CC1=C(CC(=C(N1)C)C(=O)NNC(=O)CC#N)C(=O)NNC(=O)CC#N","RYCIQYWWYYMJBA-UHFFFAOYSA-N",376623,NA,"PDBC18806","657653","Present",NA,NA
+"18807","3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-, bis[2-(2-phenylacetyl)hydrazide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-N'~3~,N'~5~-bis(phenylacetyl)-1,4-dihydro-3,5-pyridinedicarbohydrazide",NA,"CC1=C(CC(=C(N1)C)C(=O)NNC(=O)CC2=CC=CC=C2)C(=O)NNC(=O)CC3=CC=CC=C3","WXEOOHOUEZLOEF-UHFFFAOYSA-N",376649,NA,"PDBC18807","657679","Present",NA,NA
+"18808","3,5-Trimethoxy-4'-(2-diethylaminoethyl)bibenzyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxy-4'-(2-diethylaminoethyl)bibenzyl",NA,"CCN(CC)CCOC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC","YRFIETZTXFJZDJ-UHFFFAOYSA-N",368072,NA,"PDBC18808","638400","Present",NA,NA
+"18809","3,5-Trimethoxy-4'-(2-dimethylaminoethyl)bibenzyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxy-4'-(2-dimethylaminoethyl)bibenzyl",NA,"CN(C)CCOC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC","IZBWTCOGZBRZCM-UHFFFAOYSA-N",368071,NA,"PDBC18809","638399","Present",NA,NA
+"18810","3,5-Trimethoxy-4'-(diethoxymethyl)stilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxy-4'-(diethoxymethyl)stilbene",NA,"CCOC(C1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC","RAUPRXJYFORBRU-CMDGGOBGSA-N",5388746,NA,"PDBC18810","638401","Present",NA,NA
+"18811","3,5a,9-Trimethyl-8-phenylimino-3a,4,5,9b-tetrahydro-3H-benzo[g][1]benzofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-3,5a,9-Trimethyl-8-(phenylimino)-3a,4,5,5a,8,9b-hexahydronaphtho[1,2-b]furan-2(3H)-one",NA,"CC1C2CCC3(C=CC(=NC4=CC=CC=C4)C(=C3C2OC1=O)C)C","AJKVSLUKBHCQIS-UHFFFAOYSA-N",360739,NA,"PDBC18811","623078","Present",NA,NA
+"18812","3,5a-Dihydroxychromeno[2,3-b]chromen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5a-Dihydroxychromeno[2,3-b]chromen-12-one",NA,"C1=CC=C2C(=C1)C=C3C(=O)C4=C(C=C(C=C4)O)OC3(O2)O","MHUIMPYETBTSBU-UHFFFAOYSA-N",388320,NA,"PDBC18812","683055","Present",NA,NA
+"18813","3,6'-Dimethyl-8'-[(e)-(4-nitrophenyl)iminomethyl]spiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6'-Dimethyl-8'-[(4-nitrophenyl)iminomethyl]spiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,"CC1=CC2=C(C(=C1)C=NC3=CC=C(C=C3)[N+](=O)[O-])OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C","VCQGNIHNDGBKKY-UHFFFAOYSA-N",392257,NA,"PDBC18813","692398","Present",NA,NA
+"18814","3,6,10,17-Tetrazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11,13,15-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6,10,17-Tetrazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(17),2,4,11,13,15-hexaene",NA,"C1CN2C=CN=C2C3=NC4=CC=CC=C4N3C1","OVLXNAHZWJLZBG-UHFFFAOYSA-N",398072,NA,"PDBC18814","707419","Present",NA,NA
+"18815","3,6,7-Tribromo-3-(bromomethyl)-2-chloro-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6,7-Tribromo-3-(bromomethyl)-2-chloro-7-methyloct-1-ene",NA,"CC(C)(C(CCC(CBr)(C(=C)Cl)Br)Br)Br","NPRTWFMPAGYFEZ-UHFFFAOYSA-N",379563,NA,"PDBC18815","664245","Present",NA,NA
+"18816","3,6,7-Tribromo-3-(bromomethyl)-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6,7-Tribromo-3-(bromomethyl)-7-methyloct-1-ene",NA,"CC(C)(C(CCC(CBr)(C=C)Br)Br)Br","QTOSBTPZXCUHJE-UHFFFAOYSA-N",376321,NA,"PDBC18816","657136","Present",NA,NA
+"18817","3,6,7-Trimethyl-1,1-dioxo-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6,7-Trimethyl-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide",NA,"CC1=C(OC2=C1S(=O)(=O)C(=C(N2)C)C#N)C","STXODLBQAYGFCT-UHFFFAOYSA-N",392832,NA,"PDBC18817","693810","Present",NA,NA
+"18818","3,6,7-Trimethyl-4-oxo-1H-cinnoline-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6,7-Trimethyl-4-oxo-1H-cinnoline-8-carbonitrile",NA,"CC1=CC2=C(C(=C1C)C#N)NN=C(C2=O)C","JJLUPSAHPIULPM-UHFFFAOYSA-N",367588,NA,"PDBC18818","637420","Present",NA,NA
+"18819","3,6,7-Triphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6,7-Triphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione",NA,"C1=CC=C(C=C1)C2=C(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","PJLOOQRJMBNBAR-UHFFFAOYSA-N",390089,NA,"PDBC18819","687032","Present",NA,NA
+"18820","3,6,9,12,15-Pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene-40,41-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6,9,12,15-Pentaoxahexacyclo[15.15.7.123,27.134,38.02,29.016,21]hentetraconta-1(32),2(29),16(21),17,19,23,25,27(41),30,34(40),35,37-dodecaene-40,41-diol",NA,"C1COCCOC2=C3CC4=C(C(=CC=C4)CC5=C(C(=CC=C5)CC6=CC=CC(=C6O)CC2=CC=C3)OCCOCCO1)O","ZBNAVRAQMVHOKL-UHFFFAOYSA-N",389764,NA,"PDBC18820","686360","Present",NA,NA
+"18821","3,6,9,12-Tetrakis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.4.0]octadeca-1(18),14,16-triene-16,17-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6,9,12-Tetrakis-(4-methylphenyl)sulfonyl-3,6,9,12-tetrazabicyclo[12.4.0]octadeca-1(18),14,16-triene-16,17-dicarbonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC3=CC(=C(C=C3CN(CC2)S(=O)(=O)C4=CC=C(C=C4)C)C#N)C#N)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C","NENATKGASCSFNM-UHFFFAOYSA-N",384242,NA,"PDBC18821","673657","Present",NA,NA
+"18822","3,6,9a-Trimethyl-3a,4,5,6,6a,9b-hexahydro-3H-azuleno[8,7-b]furan-2,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azuleno[4,5-b]furan-2,9-dione,3,3a,4,5,6,6a,9a,9b-octyah...",NA,"CC1CCC2C(C(=O)OC2C3(C1C=CC3=O)C)C","DVCXNIHYLQWNNZ-UHFFFAOYSA-N",318378,NA,"PDBC18822","254667","Present",NA,NA
+"18823","3,6-Acridinediamine, 2,7,9-trimethyl-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"euchrysin",NA,"CC1=CC2=C(C3=C(C=C(C(=C3)C)N)N=C2C=C1N)C.Cl","NOFPXGWBWIPSHI-UHFFFAOYSA-N",72769,NA,"PDBC18823","115905","Present",NA,NA
+"18824","3,6-Bis(1-hexyl-5-oxoimidazolidine-2-ylideneamino)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Bis((1-n-hexyl-5-oxo-imidazolidin-2-yliden)imino)- a...",NA,"CCCCCCN1C(=O)CN=C1NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)NC5=NCC(=O)N5CCCCCC","WGTORGXLODLMPO-UHFFFAOYSA-N",53320851,NA,"PDBC18824","794965","Present",NA,NA
+"18825","3,6-Bis(2-(diethylamino)ethyl)-3,6-dihydro-11H-indazolo[5,4-b][1,8]naphthyridin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Bis(2-(diethylamino)ethyl)-3,6-dihydro-11H-indazolo[5,4-b][1,8]naphthyridin-11-one",NA,"CCN(CC)CCN1C2=C(C3=C(C=C2)N(N=C3)CCN(CC)CC)C(=O)C4=C1N=CC=C4","ARODSBOXDTXECO-UHFFFAOYSA-N",378714,NA,"PDBC18825","661819","Present",NA,NA
+"18826","3,6-Bis(2-methoxyphenyl)-2,5-dimethyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Bis(2-methoxyphenyl)-2,5-dimethyl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione",NA,"CN1C(=C2C(=C(N(C2=O)C)C3=CC=CC=C3OC)C1=O)C4=CC=CC=C4OC","ZCOWXHGWFJTKBA-UHFFFAOYSA-N",377510,NA,"PDBC18826","658996","Present",NA,NA
+"18827","3,6-Bis(2-thienyl)piperazine-2,2,5,5-tetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Bis(2-thienyl)piperazine-2,2,5,5-tetracarbonitrile",NA,"C1=CSC(=C1)C2C(NC(C(N2)(C#N)C#N)C3=CC=CS3)(C#N)C#N","BSQDLFOCPMYZAE-UHFFFAOYSA-N",385369,NA,"PDBC18827","676519","Present",NA,NA
+"18828","3,6-Bis(3-pyridyl)piperazine-2,2,5,5-tetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dipyridin-3-ylpiperazine-2,2,5,5-tetracarbonitrile",NA,"C1=CC(=CN=C1)C2C(NC(C(N2)(C#N)C#N)C3=CN=CC=C3)(C#N)C#N","BBHKXLCESJQZKQ-UHFFFAOYSA-N",388314,NA,"PDBC18828","683046","Present",NA,NA
+"18829","3,6-Bis(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-4,5-octanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Bis(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-4,5-octanedione",NA,"CCC(C(=O)C(=O)C(CC)P1(=O)N(CC(O1)(C)C)C(C)(C)C)P2(=O)N(CC(O2)(C)C)C(C)(C)C","POHCWNHEQVWZIR-UHFFFAOYSA-N",395328,NA,"PDBC18829","699810","Present",NA,NA
+"18830","3,6-Bis(4,5-dihydro-1H-imidazol-2-yl)-9-methylcarbazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Bis(4,5-dihydro-1H-imidazol-2-yl)-9-methylcarbazole;hydrochloride",NA,"CN1C2=C(C=C(C=C2)C3=NCCN3)C4=C1C=CC(=C4)C5=NCCN5.Cl","GGXVAENDRMYDLK-UHFFFAOYSA-N",401965,NA,"PDBC18830","715653","Present",NA,NA
+"18831","3,6-Bis(diisopropoxyphosphoryl)-1,4-bis(4-nitrophenyl)-1,2,4,5-tetrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(4-nitrophenyl)-3,6-di(izo-propoxyphosphoryl)-1,4...",NA,"CC(C)OP(=O)(C1=NN(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)C3=CC=C(C=C3)[N+](=O)[O-])OC(C)C","CPWAIFJLZBUQRK-UHFFFAOYSA-N",374954,NA,"PDBC18831","653563","Present",NA,NA
+"18832","3,6-Bis(methylsulfanyl)-1,2,4,5-tetrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dimethylthio-1,2,4,5-tetrazine",NA,"CSC1=NN=C(N=N1)SC","ROUDTSAXQIBBFZ-UHFFFAOYSA-N",384504,NA,"PDBC18832","674352","Present",NA,NA
+"18833","3,6-Bis(morpholinomethyl)pyrocatechol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t6n dotj a1r bq cq d1- at6n dotj",NA,"C1COCCN1CC2=C(C(=C(C=C2)CN3CCOCC3)O)O","GXFKEXJQUZXFOS-UHFFFAOYSA-N",96672,NA,"PDBC18833","85459","Present",NA,NA
+"18834","3,6-Bis(o-tolyl)-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Bis(o-tolyl)-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione",NA,"CC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4C)SC2=O","CAWQXZKBTPGUKQ-UHFFFAOYSA-N",3004157,NA,"PDBC18834","633184","Present",NA,NA
+"18835","3,6-Bis(trifluoromethyl)-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Bis(trifluoromethyl)-1H-quinoxalin-2-one",NA,"C1=CC2=C(C=C1C(F)(F)F)N=C(C(=O)N2)C(F)(F)F","PAZIEKBLRBWBRP-UHFFFAOYSA-N",396148,NA,"PDBC18835","701696","Present",NA,NA
+"18836","3,6-Bis[(dimethylamino)methyl]cyclohexane-1,2-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651593",NA,"CN(C)CC1CCC(C(=O)C1=O)CN(C)C.Cl","HJIQVCPYBKYGBC-UHFFFAOYSA-N",374142,NA,"PDBC18836","651593","Present",NA,NA
+"18837","3,6-Di(1-adamantyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Di(1-adamantyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C67CC8CC(C6)CC(C8)C7","HIRDTNLONDNKRZ-UHFFFAOYSA-N",380435,NA,"PDBC18837","665958","Present",NA,NA
+"18838","3,6-Di(3-thienyl)-2,2,5,5-piperazinetetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Di(3-thienyl)-2,2,5,5-piperazinetetracarbonitrile",NA,"C1=CSC=C1C2C(NC(C(N2)(C#N)C#N)C3=CSC=C3)(C#N)C#N","CSGZDKYEQBLCIM-UHFFFAOYSA-N",385370,NA,"PDBC18838","676520","Present",NA,NA
+"18839","3,6-Di(trifluoromethyl)-2-benzoylquinoxaline-4-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-di(trifluoromethyl)-2-benzoylquinoxaline-4-oxide",NA,"C1=CC=C(C=C1)C(=O)C2=NC3=C(C=C(C=C3)C(F)(F)F)[N+](=C2C(F)(F)F)[O-]","JINAGPSFZIUXHR-UHFFFAOYSA-N",54612702,NA,"PDBC18839","741436","Present",NA,NA
+"18840","3,6-Di(trifluoromethyl)-2-furoylquinoxaline-4-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-di(trifluoromethyl)-2-furoylquinoxaline-4-oxide",NA,"C1=COC(=C1)C(=O)C2=NC3=C(C=C(C=C3)C(F)(F)F)[N+](=C2C(F)(F)F)[O-]","QOIGTJUTNWDUIX-UHFFFAOYSA-N",23635777,NA,"PDBC18840","740114","Present",NA,NA
+"18841","3,6-Di-1H-indol-3-yl-1,4-dimethylpiperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Bis(1H-indol-3-yl)-1,4-dimethyl-piperazine-2,5-dione",NA,"CN1C(C(=O)N(C(C1=O)C2=CNC3=CC=CC=C32)C)C4=CNC5=CC=CC=C54","MZWQZGHDDHUBPK-UHFFFAOYSA-N",384229,NA,"PDBC18841","673645","Present",NA,NA
+"18842","3,6-Diamino-10-methylacridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"avlon///Acriflavine///ACRIFLAVINIUM HYDROCHLORIDE",NA,"C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.[Cl-]","KKAJSJJFBSOMGS-UHFFFAOYSA-N",6842,NA,"PDBC18842","2755///47700///757387","Present",NA,NA
+"18843","3,6-Diamino-10-methylacridinium chloride hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trypaflavine Hydrochloride",NA,"C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.Cl.[Cl-]","OEGQPXPIKZELFM-UHFFFAOYSA-N",15558347,NA,"PDBC18843","163949","Present",NA,NA
+"18844","3,6-Diamino-2,7,10-trimethylacridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"corioflavine r",NA,"CC1=CC2=CC3=C(C=C(C(=C3)C)N)[N+](=C2C=C1N)C.[Cl-]","ADAOOVVYDLASGJ-UHFFFAOYSA-N",38475,NA,"PDBC18844","73411","Present",NA,NA
+"18845","3,6-Diammine-1,2-dichlorodiaminecobalt(III)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Diammine-1,2-dichlorodiaminecobalt(III)chloride",NA,NA,NA,NA,NA,"PDBC18845","630647","Present",NA,NA
+"18846","3,6-Dibromo-1-nitro-9H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-024793",NA,"C1=CC2=C(C=C1Br)C3=C(N2)C(=CC(=C3)Br)[N+](=O)[O-]","XRMUUSATUCOGCF-UHFFFAOYSA-N",221765,NA,"PDBC18846","6777","Present",NA,NA
+"18847","3,6-Dibromo-3-(bromomethyl)-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dibromo-3-(bromomethyl)-7-methyloct-1-ene",NA,"CC(C)C(CCC(CBr)(C=C)Br)Br","LRJPUDKMTFONPR-UHFFFAOYSA-N",382916,NA,"PDBC18847","670791","Present",NA,NA
+"18848","3,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-1-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dibromo-3-bromomethyl-7-chloro-7-methyl-1-octene",NA,"CC(C)(C(CCC(CBr)(C=C)Br)Br)Cl","BIJRAENMNMOHHB-UHFFFAOYSA-N",377929,NA,"PDBC18848","659552","Present",NA,NA
+"18849","3,6-Dibromo-9-chloro-9-phenyl-9H-fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Fluorene, 3,6-dibromo-9-chloro-9-phenyl-",NA,"C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)Cl","HSAQYXOLMZCUQU-UHFFFAOYSA-N",257927,NA,"PDBC18849","86549","Present",NA,NA
+"18850","3,6-Dibromophenanthrene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-dibromophenanthrene-9,10-dione",NA,"C1=CC2=C(C=C1Br)C3=C(C=CC(=C3)Br)C(=O)C2=O","WPEJBJRFPBMVGJ-UHFFFAOYSA-N",258450,NA,"PDBC18850","87364","Present",NA,NA
+"18851","3,6-Dibromopyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMOT0288",NA,"C1=CC(=NN=C1Br)Br","VQAFMTSSCUETHA-UHFFFAOYSA-N",248852,NA,"PDBC18851","66366","Present",NA,NA
+"18852","3,6-Dibromoquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dibromoquinolin-8-ol",NA,"C1=C2C=C(C=NC2=C(C=C1Br)O)Br","IKRBVJIHPNQEHU-UHFFFAOYSA-N",384173,NA,"PDBC18852","673464","Present",NA,NA
+"18853","3,6-Dichloro-1H-pyrazolo[3,4-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dichloro-2H-pyrazolo[3,4-b]quinoxaline",NA,"C1=CC2=NC3=NNC(=C3N=C2C=C1Cl)Cl","IQRSGTYBVOVHMD-UHFFFAOYSA-N",395033,NA,"PDBC18853","699217","Present",NA,NA
+"18854","3,6-Dichloro-4-methoxy-2H-1-benzopyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dichloro-4-methoxychromen-2-one",NA,"COC1=C(C(=O)OC2=C1C=C(C=C2)Cl)Cl","OKYGZJHSECWTGN-UHFFFAOYSA-N",297689,NA,"PDBC18854","168947","Present",NA,NA
+"18855","3,6-Dichloro-5-(3,6-dichloropyridazine-4-carbonyl)-N-(3,6-dichloropyridazin-4-yl)-N-propylpyridazine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dichloro-5-(3,6-dichloropyridazine-4-carbonyl)-N-(3,6-dichloropyridazin-4-yl)-N-propylpyridazine-4-carboxamide",NA,"CCCN(C1=CC(=NN=C1Cl)Cl)C(=O)C2=C(C(=NN=C2Cl)Cl)C(=O)C3=CC(=NN=C3Cl)Cl","KTKAWYXAXRRCKF-UHFFFAOYSA-N",401637,NA,"PDBC18855","715339","Present",NA,NA
+"18856","3,6-Dichloro-8-nitroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dichloro-8-nitroquinoline",NA,"C1=C2C=C(C=NC2=C(C=C1Cl)[N+](=O)[O-])Cl","HZYKVJJNFZDQPX-UHFFFAOYSA-N",384169,NA,"PDBC18856","673460","Present",NA,NA
+"18857","3,6-Dichloro-8-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dichloro-8-quinolinol",NA,"C1=C2C=C(C=NC2=C(C=C1Cl)O)Cl","DJNGQNQUJOVZPN-UHFFFAOYSA-N",384172,NA,"PDBC18857","673463","Present",NA,NA
+"18858","3,6-Dichloroquinolin-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZB0131",NA,"C1=C2C=C(C=NC2=C(C=C1Cl)N)Cl","ZNNGHKIUXFCTFO-UHFFFAOYSA-N",384171,NA,"PDBC18858","673462","Present",NA,NA
+"18859","3,6-Dihydroindazolo[5,4-b][1,8]naphthyridin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dihydroindazolo[5,4-b][1,8]naphthyridin-11-one",NA,"C1=CC2=C(NC3=C(C2=O)C4=C(C=C3)NN=C4)N=C1","BIOGSUZSWZKZCE-UHFFFAOYSA-N",378709,NA,"PDBC18859","661814","Present",NA,NA
+"18860","3,6-Dihydropyrazolo[3,4-f][1,2,3,5]tetrazepin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-dimethyl-6-phenyl-8-(trifluoromethyl)-5,6-dihydropyr...",NA,"CN1C2=C(C(=NN2C3=CC=CC=C3)C(F)(F)F)N=NN(C1=O)C","ZSGOMKOCWBLQNL-UHFFFAOYSA-N",25148595,NA,"PDBC18860","742790","Present",NA,NA
+"18861","3,6-Dimethoxy-1,8,12-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-dimethoxy-7-azaisoindole[2,1-a]quinoxalin-6(5H)-one",NA,"COC1=C2C(=C(C=C1)OC)N3C=C4C=CC=NC4=C3C(=O)N2","XFTOTOMDBOCAAE-UHFFFAOYSA-N",155805046,NA,"PDBC18861","754587","Present",NA,NA
+"18862","3,6-Dimethoxybenzene-1,2-dicarbonitrile;3-hydroxy-6-methoxybenzene-1,2-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dimethoxybenzene-1,2-dicarbonitrile;3-hydroxy-6-methoxybenzene-1,2-dicarbonitrile",NA,"COC1=C(C(=C(C=C1)O)C#N)C#N.COC1=C(C(=C(C=C1)OC)C#N)C#N","MVGFDFJNAQPHCA-UHFFFAOYSA-N",358357,NA,"PDBC18862","618324","Present",NA,NA
+"18863","3,6-Dimethyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dimethyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one",NA,"CC1C(N(C(C(NC1=O)C)C2=CC=CC=C2)N=O)C3=CC=CC=C3","NGMGPYNQJAKUED-UHFFFAOYSA-N",362612,NA,"PDBC18863","626742","Present",NA,NA
+"18864","3,6-Dimethyl-2,5-bis(p-tolyl)-1,6-dihydro-1,4-diazepine-7-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dimethyl-2,5-bis(p-tolyl)-1,6-dihydro-1,4-diazepine-7-thione",NA,"CC1C(=NC(=C(NC1=S)C2=CC=C(C=C2)C)C)C3=CC=C(C=C3)C","DPBJTXPZRKQNTD-UHFFFAOYSA-N",3004570,NA,"PDBC18864","658392","Present",NA,NA
+"18865","3,6-Dimethyl-2,5-diphenyl-1,6-dihydro-1,4-diazepine-7-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dimethyl-2,5-diphenyl-1,6-dihydro-1,4-diazepine-7-thione",NA,"CC1C(=NC(=C(NC1=S)C2=CC=CC=C2)C)C3=CC=CC=C3","KPNGPCJADYPWJW-UHFFFAOYSA-N",3004569,NA,"PDBC18865","658391","Present",NA,NA
+"18866","3,6-Dimethyl-4-nitropyridazine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC193028",NA,"CC1=CC(=C(N=[N+]1[O-])C)[N+](=O)[O-]","HCBAEWMORMEHJX-UHFFFAOYSA-N",96460,NA,"PDBC18866","193028","Present",NA,NA
+"18867","3,6-Dimethyl-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dimethyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(C(=C2N1C(=O)N(N=N2)C)C#N)C3=CC=CC=C3","GTXSTKXHPZTPEF-UHFFFAOYSA-N",398634,NA,"PDBC18867","708784","Present",NA,NA
+"18868","3,6-Dimethyl[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dimethyl[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid",NA,"CC1=C(N2C(=NN=C2C3=CC=CC=C13)C)C(=O)O","DOATVAALOKVEAB-UHFFFAOYSA-N",390221,NA,"PDBC18868","687431","Present",NA,NA
+"18869","3,6-Dimethylthio-dihydrotetrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dimethylthio-dihydrotetrazine",NA,"CSC1=NNC(=NN1)SC","LNYJEPPVBXMFNT-UHFFFAOYSA-N",384502,NA,"PDBC18869","674350","Present",NA,NA
+"18870","3,6-Dimethyoxy)benzylidineandrographolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,19-(2,6-Dimethyoxy)benzylidineandrographolide",NA,"CC12CCC3C(C1CCC(=C)C2CC=C4C(COC4=O)O)(COC(O3)C5=C(C=CC=C5OC)OC)C","BUVYDJYEFBHQJB-VCHYOVAHSA-N",54612897,NA,"PDBC18870","747448","Present",NA,NA
+"18871","3,6-Dinitro-4-(phenoxathiin-2-ylamino)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dinitro-4-(phenoxathiin-2-ylamino)-2h-chromen-2-one",NA,"C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NC4=C(C(=O)OC5=C4C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","FHCDFQRBIOHZAH-UHFFFAOYSA-N",403317,NA,"PDBC18871","718023","Present",NA,NA
+"18872","3,6-Dioxo-2,7-diphenyloctanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dioxo-2,7-diphenyloctanedinitrile",NA,"C1=CC=C(C=C1)C(C#N)C(=O)CCC(=O)C(C#N)C2=CC=CC=C2","FJLWLZNHTXAETN-UHFFFAOYSA-N",365344,NA,"PDBC18872","632935","Present",NA,NA
+"18873","3,6-Diphenyl-2,2,5,5-piperazinetetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Diphenyl-2,2,5,5-piperazinetetracarbonitrile",NA,"C1=CC=C(C=C1)C2C(NC(C(N2)(C#N)C#N)C3=CC=CC=C3)(C#N)C#N","QVPFDGMLHNLKDK-UHFFFAOYSA-N",385624,NA,"PDBC18873","676964","Present",NA,NA
+"18874","3,6-di(trifluoromethyl)-2-benzoylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-di(trifluoromethyl)-2-benzoylquinoxaline 1,4-dioxide",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C(F)(F)F","FKCFMPSVCOGQQS-UHFFFAOYSA-N",23635283,NA,"PDBC18874","741437","Present",NA,NA
+"18875","3,6-di(trifluoromethyl)-2-furoylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-di(trifluoromethyl)-2-furoylquinoxaline 1,4-dioxide",NA,"C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C(F)(F)F","DGBWTDCILDELEX-UHFFFAOYSA-N",23635776,NA,"PDBC18875","740110","Present",NA,NA
+"18876","3,7,7-Trimethyl-3,4-bis(methylthio)bicyclo[4.1.0]heptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7,7-Trimethyl-3,4-bis(methylthio)bicyclo[4.1.0]heptane",NA,"CC1(C2C1CC(C(C2)SC)(C)SC)C","GHHXTHWFXOUDSH-UHFFFAOYSA-N",373603,NA,"PDBC18876","650208","Present",NA,NA
+"18877","3,7,7-Trimethyl-4-((3-methyl-2-butenyl)thio)bicyclo[4.1.0]heptan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655933///NSC655934",NA,"CC(=CCSC1CC2C(C2(C)C)CC1(C)O)C","HRQMRCWBLSEHJD-UHFFFAOYSA-N",375780,NA,"PDBC18877","655933///655934","Present",NA,NA
+"18878","3,7,7-Trimethyl-4-(methylthio)bicyclo[4.1.0]heptan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655922///NSC655925",NA,"CC1(C2C1CC(C(C2)SC)(C)O)C","BEBHJEIMSRXFJR-UHFFFAOYSA-N",375772,NA,"PDBC18878","655922///655925","Present",NA,NA
+"18879","3,7,7-Trimethyl-4-(phenylthio)bicyclo[4.1.0]heptane-3-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7,7-Trimethyl-4-(phenylthio)bicyclo[4.1.0]heptane-3-thiol",NA,"CC1(C2C1CC(C(C2)SC3=CC=CC=C3)(C)S)C","GEINJCZBPBJHJU-UHFFFAOYSA-N",375778,NA,"PDBC18879","655931","Present",NA,NA
+"18880","3,7-Bis(chloromethyl)-4,10-dimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Bis(chloromethyl)-4,10-dimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione",NA,"CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C(=CO3)CCl)C)CCl","SVYPQUMTTHYNPL-UHFFFAOYSA-N",371310,NA,"PDBC18880","645384","Present",NA,NA
+"18881","3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Bis(phenylsulfonyl)-1,3,5,7-tetraazabicyclo[3.3.1]nonane",NA,"C1N2CN(CN1CN(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","QQOGRSKRFUQIAI-UHFFFAOYSA-N",304736,NA,"PDBC18881","201430","Present",NA,NA
+"18882","3,7-Bis(trifluoromethyl)-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z1869801443",NA,"C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=N2)C(F)(F)F","QTULGPUFALWLQU-UHFFFAOYSA-N",396147,NA,"PDBC18882","701695","Present",NA,NA
+"18883","3,7-Di(trifluoromethyl)-2-furoylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-di(trifluoromethyl)-2-furoylquinoxaline",NA,"C1=COC(=C1)C(=O)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(F)(F)F","ZDNXKSJIEIBVFJ-UHFFFAOYSA-N",23635781,NA,"PDBC18883","741427","Present",NA,NA
+"18884","3,7-Di(trifluoromethyl)-2-furoylquinoxaline-4-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-di(trifluoromethyl)-2-furoylquinoxaline-4-oxide",NA,"C1=COC(=C1)C(=O)C2=NC3=C(C=CC(=C3)C(F)(F)F)[N+](=C2C(F)(F)F)[O-]","CTXLNMITCRRVBZ-UHFFFAOYSA-N",23635779,NA,"PDBC18884","741426","Present",NA,NA
+"18885","3,7-Diamino-1,2,4-benzotriazine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Diamino-1,2,4-benzotriazine 1-oxide",NA,"C1=CC2=NC(=NN(C2=CC1=N)O)N","HFTVZWNPIHAXMJ-UHFFFAOYSA-N",494411,NA,"PDBC18885","623603","Present",NA,NA
+"18886","3,7-Diamino-4,6-dibromo-2-methoxyfluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Diamino-4,6-dibromo-2-methoxy-9H-fluoren-9-one",NA,"COC1=C(C(=C2C(=C1)C(=O)C3=CC(=C(C=C32)Br)N)Br)N","UCAXNBVCXYTFQK-UHFFFAOYSA-N",277056,NA,"PDBC18886","125541","Present",NA,NA
+"18887","3,7-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-8-one",NA,"C1CNC2C3=CC=CC4=C3C(=CC=C4)C(=O)N2C1","GCAPKUKTUYGOSO-UHFFFAOYSA-N",6712761,NA,"PDBC18887","710116","Present",NA,NA
+"18888","3,7-Dibenzylpurin-3-ium-6-amine;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631800",NA,"C1=CC=C(C=C1)CN2C=NC3=[N+](C=NC(=C32)N)CC4=CC=CC=C4.[Br-]","VSHCHJITTBYNJK-UHFFFAOYSA-N",364912,NA,"PDBC18888","631800","Present",NA,NA
+"18889","3,7-Dichloro-3-(chloromethyl)-7-methyl-1-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-dibromo-2,7-dichloro-3-(chloromethyl)-7-methyl-1-octene",NA,"CC(C)(C(CCC(CCl)(C(=C)Cl)Br)Br)Cl","ODSBJZRNTONBMP-UHFFFAOYSA-N",379036,NA,"PDBC18889","662809","Present",NA,NA
+"18890","3,7-Dichloro-8-hydroxy-5-quinolinesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Dichloro-8-hydroxyquinoline-5-sulfonic acid",NA,"C1=C(C=NC2=C1C(=CC(=C2O)Cl)S(=O)(=O)O)Cl","ZKCYFBCVFMARLP-UHFFFAOYSA-N",395840,NA,"PDBC18890","700843","Present",NA,NA
+"18891","3,7-Dichloro-N,N-bis(2-chloroethyl)-11-oxo-5-(trichloromethyl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Dichloro-N,N-bis(2-chloroethyl)-11-oxo-5-(trichloromethyl)-5H-benzo[d][1,3,2]benzodioxaphosphocin-11-amine",NA,"C1=CC2=C(C=C1Cl)C(C3=C(C=CC(=C3)Cl)OP(=O)(O2)N(CCCl)CCCl)C(Cl)(Cl)Cl","LWXUVGTUGXTSON-UHFFFAOYSA-N",382836,NA,"PDBC18891","670665","Present",NA,NA
+"18892","3,7-Dicyclohexyl-10-hydroxy-2,4,6,8-tetrahydro-[1,3]oxazino[5,6-g][1,3]benzoxazine-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Dicyclohexyl-10-hydroxy-2,4,6,8-tetrahydro-[1,3]oxazino[5,6-g][1,3]benzoxazine-5-carboxylic acid",NA,"C1CCC(CC1)N2CC3=C(C4=C(C(=C3OC2)O)OCN(C4)C5CCCCC5)C(=O)O","QBRHOQRHTZKIBI-UHFFFAOYSA-N",241222,NA,"PDBC18892","48448","Present",NA,NA
+"18893","3,7-Dimethoxy-2-benzofurancarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzofurancarboxylic acid, 3,7-dimethoxy-",NA,"COC1=CC=CC2=C1OC(=C2OC)C(=O)O","LPFARVHTKDMDGU-UHFFFAOYSA-N",363429,NA,"PDBC18893","628340","Present",NA,NA
+"18894","3,7-Dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodec-9-ene-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodec-9-ene-4,8-dione",NA,"CN1C2CCC(C1=O)C3C=CC2C(=O)N3C","GGGJQKQBVMSMKP-UHFFFAOYSA-N",363034,NA,"PDBC18894","627578","Present",NA,NA
+"18895","3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Dimethyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one",NA,"CC1=C2C(=CC=C1)C(OC2=O)(C)C3=CC=CC4=CC=CC=C43","IRFSCOBQNNMNKI-UHFFFAOYSA-N",348361,NA,"PDBC18895","407632","Present",NA,NA
+"18896","3,7-Dimethyl-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-dimethyl-5-(3,4,5-trimethoxyphenyl)-5H-thiazolo[3,2-...",NA,"CC1=CC(N2C(=CSC2=N1)C)C3=CC(=C(C(=C3)OC)OC)OC","SCMPNZVEVJBADX-UHFFFAOYSA-N",155814673,NA,"PDBC18896","775723","Present",NA,NA
+"18897","3,7-Dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxylic acid",NA,"CC1=C(C2=NN=C(N2C(=O)N1)C)C(=O)O","MLSLFBOCPGQCIX-UHFFFAOYSA-N",135499604,NA,"PDBC18897","624945","Present",NA,NA
+"18898","3,7-Dimethylnaphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Naphthoquinone, 3,7-dimethyl-",NA,"CC1=CC2=C(C=C1)C=C(C(=O)C2=O)C","SJOKRUOFICLCJY-UHFFFAOYSA-N",344295,NA,"PDBC18898","401130","Present",NA,NA
+"18899","3,7-Diphenoxy-1lambda4,2,8-trithia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Diphenoxy-1lambda4,2,8-trithia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene",NA,"C1=CC=C(C=C1)OC2=NC3=S(S2)SC(=N3)OC4=CC=CC=C4","DVMLESJVEIABTF-UHFFFAOYSA-N",371173,NA,"PDBC18899","645204","Present",NA,NA
+"18900","3,7-Dithia-1,9-nonanedithiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM25676624",NA,"C(CSCCS)CSCCS","XYHKMRNYSMEEDT-UHFFFAOYSA-N",373740,NA,"PDBC18900","650639","Present",NA,NA
+"18901","3,7-di(trifluoromethyl)-2-benzoylquioxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-di(trifluoromethyl)-2-benzoylquioxaline 1,4-dioxide",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])C(F)(F)F","HFBKXUNSNBXHFR-UHFFFAOYSA-N",23635282,NA,"PDBC18901","740384","Present",NA,NA
+"18902","3,7-di(trifluoromethyl)-2-furoylquioxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-di(trifluoromethyl)-2-furoylquioxaline 1,4-dioxide",NA,"C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])C(F)(F)F","DMMKPEKMJWYVOQ-UHFFFAOYSA-N",23635775,NA,"PDBC18902","740386","Present",NA,NA
+"18903","3,7-di(trifluoromethyl)-2-naftoylquioxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-di(trifluoromethyl)-2-naftoylquioxaline 1,4-dioxide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=C(C=C4)C(F)(F)F)[O-])C(F)(F)F","GVUYIQYXHJGNGP-UHFFFAOYSA-N",23635411,NA,"PDBC18903","741425","Present",NA,NA
+"18904","3,7a-Dihydroxy-4,7-dimethyl-3,3a,4,7-tetrahydro-2H-isoindol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7a-Dihydroxy-4,7-dimethyl-3,3a,4,7-tetrahydro-2H-isoindol-1-one",NA,"CC1C=CC(C2(C1C(NC2=O)O)O)C","XAUZUUAUWTUMEU-UHFFFAOYSA-N",359226,NA,"PDBC18904","619935","Present",NA,NA
+"18905","3,8,9-Trihydroxy-3-methyl-10-(1,6,9-trihydroxy-6-methyl-8-oxo-5,7-dihydroanthracen-2-yl)-2,4-dihydroanthracen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7,10'-Bianthracene]-1,1'(2H,2'H)-dione, 3,3',4,4'- tetr...",NA,"CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=CC(=C3O)C4=C5CC(CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)O)O","FBPZAGOTWAVQJH-UHFFFAOYSA-N",114820,NA,"PDBC18905","667838","Present",NA,NA
+"18906","3,8,9-Trimethoxy-5H-isoindolo[2,1-a]quinoxalin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3- METHOXY-5H-8,9-DIMETHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6...",NA,"COC1=CC2=C(C=C1)N3C=C4C=C(C(=CC4=C3C(=O)N2)OC)OC","CNSTVRRUULEAPC-UHFFFAOYSA-N",54612830,NA,"PDBC18906","747526","Present",NA,NA
+"18907","3,8,9-Trimethoxyisoindolo[2,1-a]quinoxalin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-methoxy-8,9-dimethoxy-isoindolo[2,1a]quinoxalin-6-(5H)...",NA,"COC1=CC2=C(C=C1)N3C=C4C=C(C(=CC4=C3C(=N2)N)OC)OC","BOLIQLNPFPACMJ-UHFFFAOYSA-N",118734071,NA,"PDBC18907","760286","Present",NA,NA
+"18908","3,8-Dibenzyl-2,4,7,9-tetrahydro-[1,3]oxazino[5,6-h][1,3]benzoxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H,9H-Benzo[1,2-e:4,3-e]bis[1,3]oxazine, 3,8-dibenzyl-3,...",NA,"C1C2=C(C3=C(CN(CO3)CC4=CC=CC=C4)C=C2)OCN1CC5=CC=CC=C5","AOZNAIBBITZLIO-UHFFFAOYSA-N",344936,NA,"PDBC18908","402109","Present",NA,NA
+"18909","3,8-Dibenzyl-5,10-ditert-butyl-2,4,7,9-tetrahydro-[1,3]oxazino[6,5-g][1,3]benzoxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-e:4,5-e']bis[1,3]oxazine, 5,10-bis(1,1-dimethy...",NA,"CC(C)(C)C1=C2CN(COC2=C(C3=C1OCN(C3)CC4=CC=CC=C4)C(C)(C)C)CC5=CC=CC=C5","AXKSETRDCLGEDQ-UHFFFAOYSA-N",241231,NA,"PDBC18909","48458","Present",NA,NA
+"18910","3,8-Dimethoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,8-Dimethoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole",NA,"COC1=CC2=C(C=C1)C3=C(CC2)C4=C(N3CCN5CCCCC5)C=CC(=C4)OC","FNBNQMUPTSSJOW-UHFFFAOYSA-N",390905,NA,"PDBC18910","689080","Present",NA,NA
+"18911","3,8-Dimethoxy-6,11-dihydro-5H-benzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QEAWMKDRCXIJQQ-UHFFFAOYSA-N",NA,"COC1=CC2=C(C=C1)C3=C(CC2)C4=C(N3)C=CC(=C4)OC","QEAWMKDRCXIJQQ-UHFFFAOYSA-N",390904,NA,"PDBC18911","689079","Present",NA,NA
+"18912","3,8-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,8-Dimethoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c][1]benzopyran",NA,"COC1=CC2=C(C=C1)OC3C2COC4=C3C=CC(=C4)OC","GHOLLDSBVAHGNB-UHFFFAOYSA-N",45028037,NA,"PDBC18912","740816","Present",NA,NA
+"18913","3,8-Dimethoxy-9,10-[1,3]butadieno-6a,11a-dihydro-6H-benzofuro[3,2-c][1]benzopyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,20-Dimethoxy-4,12-dioxapentacyclo[11.8.0.02,11.05,10.014,19]henicosa-1(13),5(10),6,8,14,16,18,20-octaene",NA,"COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C5=CC=CC=C5C(=C4)OC","SHYIHISNMYEDPX-UHFFFAOYSA-N",44478252,NA,"PDBC18913","740815","Present",NA,NA
+"18914","3,8-Dimethoxybenzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK921190",NA,"COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC)OC2=O","FTCCLANRGJOUKX-UHFFFAOYSA-N",800988,NA,"PDBC18914","735327","Present",NA,NA
+"18915","3,8-Dimethyl-1,2-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,8-Dimethyl-1,2-naphthoquinone",NA,"CC1=C2C(=CC=C1)C=C(C(=O)C2=O)C","DKHAQNNRAKURNG-UHFFFAOYSA-N",373912,NA,"PDBC18915","650935","Present",NA,NA
+"18916","3,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CELYWWIEPXTVDS-UHFFFAOYSA-N",NA,"CC1(CC2CCC(C1)N2C)O","CELYWWIEPXTVDS-UHFFFAOYSA-N",382572,NA,"PDBC18916","670183","Present",NA,NA
+"18917","3,9-Dihydroxy-11H-chromeno[4,3-b]indol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,9-Dihydroxy-11H-chromeno[4,3-b]indol-6-one",NA,"C1=CC2=C(C=C1O)NC3=C2C(=O)OC4=C3C=CC(=C4)O","BUSSJLNPECLYJI-UHFFFAOYSA-N",5465573,NA,"PDBC18917","655185","Present",NA,NA
+"18918","3,9-Dimethoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,9-Dimethoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol",NA,"COC1=CC2=C(C=C1)OC3C4=C(C=C(C=C4)OC)OCC3(C2)O","BJCCHFFELWOPID-UHFFFAOYSA-N",387602,NA,"PDBC18918","681611","Present",NA,NA
+"18919","3,9-Dimethoxy-6H,7H-chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,9-Dimethoxy-6H,7H-chromeno[4,3-b]chromene",NA,"COC1=CC2=C(C=C1)OC3=C(C2)COC4=C3C=CC(=C4)OC","LQWOHFWLEKLHTL-UHFFFAOYSA-N",387605,NA,"PDBC18919","681614","Present",NA,NA
+"18920","3,9-Dimethoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,9-Dimethoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,"COC1=CC2=C(C=C1)OC3C(C2)COC4=C3C=CC(=C4)OC","CEUNIUKNPAPBBE-UHFFFAOYSA-N",387591,NA,"PDBC18920","681600","Present",NA,NA
+"18921","3,9-Dimethoxychromeno[4,3-b]indol-6(11H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,9-Dimethoxychromeno[4,3-b]indol-6(11H)-one",NA,"COC1=CC2=C(C=C1)C3=C(N2)C4=C(C=C(C=C4)OC)OC3=O","ZBVQCKANIQUEDB-UHFFFAOYSA-N",376980,NA,"PDBC18921","658201","Present",NA,NA
+"18922","3,9-Diphenyl-4,5,6,7,8,9-hexahydrotriazolo[5,1-b]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,9-Diphenyl-4,5,6,7,8,9-hexahydrotriazolo[5,1-b]quinazoline",NA,"C1CCC2=C(C1)C(N3C(=C(N=N3)C4=CC=CC=C4)N2)C5=CC=CC=C5","TTZZJPJIRUQZNU-UHFFFAOYSA-N",404639,NA,"PDBC18922","721067","Present",NA,NA
+"18923","3,9-Diphenyl-6,6a,9a,9b-tetrahydro-5H-isoxazolo[4,5-e][1,2,4]oxadiazolo[4,5-c]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Diphenyl-3,10-dioxa-4,6,8,11-tetrazatricyclo[7.3.0.02,6]dodeca-4,11-dien-7-one",NA,"C1=CC=C(C=C1)C2=NOC3C2C4N(C(=NO4)C5=CC=CC=C5)C(=O)N3","IHTIDIABGVBCOA-UHFFFAOYSA-N",394219,NA,"PDBC18923","697506","Present",NA,NA
+"18924","3,N-Dimethylamino)benzylidineandrographolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,19-(4-N,N-dimethylamino)benzylidineandrographolide",NA,"CC12CCC3C(C1CCC(=C)C2CC=C4C(COC4=O)O)(COC(O3)C5=CC=C(C=C5)N(C)C)C","DAVQULZBDZGAKW-SRZZPIQSSA-N",54613734,NA,"PDBC18924","747447","Present",NA,NA
+"18925","3,cis-1,3,5-Trimethylcyclohexane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(benzyloxycarbonyl)-cis,cis-1,3,5-trimethylcycloh...",NA,"CC1(CC(CC(C1)(C)C(=O)OCC2=CC=CC=C2)(C)C(=O)OCC3=CC=CC=C3)C(=O)O","LANVUUUPFSDZDU-NXMIGULDSA-N",401486,NA,"PDBC18925","715144","Present",NA,NA
+"18926","3-((((4'-((((2-Carboxyethyl)thio)carbonyl)amino)-2',3-dimethoxy[1,1'-biphenyl]-4-yl)amino)carbonyl)thio)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-[N,N'-(2,3'-Dimethoxy-4,4'-biphenylthiocarbamoyl0]-...",NA,"COC1=C(C=CC(=C1)C2=C(C=C(C=C2)NC(=O)SCCC(=O)O)OC)NC(=O)SCCC(=O)O","YGJOJCXIJFDDQS-UHFFFAOYSA-N",363903,NA,"PDBC18926","629291","Present",NA,NA
+"18927","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-1H-indole",NA,"CN1C=C(C2=CC=CC=C21)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl","QRSQPLAOVPDPAZ-UHFFFAOYSA-N",381016,NA,"PDBC18927","666999","Present",NA,NA
+"18928","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-2,7-dimethyl-4,5-dioxo-4H,5H-pyrano[4,3-b]pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-2,7-dimethyl-4,5-dioxo-4H,5H-pyrano[4,3-b]pyran",NA,"CC1=CC2=C(C(=O)C(=C(O2)C)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)O1","KPQPTZCQWUUZJS-UHFFFAOYSA-N",381017,NA,"PDBC18928","667000","Present",NA,NA
+"18929","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-2-phenyl-4H-chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-2-phenyl-4H-chromene",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)S(=O)(=O)NC(=O)NC4=CC=C(C=C4)Cl","OYZZTVVOUDYJOP-UHFFFAOYSA-N",383329,NA,"PDBC18929","671439","Present",NA,NA
+"18930","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-4H-chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4-oxo-4H-chromene",NA,"C1=CC=C2C(=C1)C(=O)C(=CO2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl","JQUMLMAFJOZZEM-UHFFFAOYSA-N",378743,NA,"PDBC18930","661842","Present",NA,NA
+"18931","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-1-methyl-4-oxo-1,4-dihydroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-1-methyl-4-oxo-1,4-dihydroquinoline",NA,"CN1C=C(C(=O)C2=C1C=C(C=C2)F)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl","HDDISMZPKLCTGB-UHFFFAOYSA-N",383328,NA,"PDBC18931","671438","Present",NA,NA
+"18932","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-4-oxo-4H-chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-fluoro-4-oxo-4H-chromene",NA,"C1=CC(=CC=C1NC(=O)NS(=O)(=O)C2=COC3=C(C2=O)C=CC(=C3)F)Cl","FITFMRVFIOBJNY-UHFFFAOYSA-N",382410,NA,"PDBC18932","669971","Present",NA,NA
+"18933","3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-methyl-4,5-dioxo-4H,5H-pyrano[4,3-b]pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-7-methyl-4,5-dioxo-4H,5H-pyrano[4,3-b]pyran",NA,"CC1=CC2=C(C(=O)C(=CO2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl)C(=O)O1","NJWWOJZMQOAJGK-UHFFFAOYSA-N",381015,NA,"PDBC18933","666998","Present",NA,NA
+"18934","3-((((Cyanoimino)(isopropylamino)methyl)amino)sulfonyl)-4-(cyclooctylamino)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((((Cyanoimino)(isopropylamino)methyl)amino)sulfonyl)-4-(cyclooctylamino)pyridine",NA,"CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CN=C1)NC2CCCCCCC2","KZMDYJUEDFESJX-UHFFFAOYSA-N",388894,NA,"PDBC18934","684124","Present",NA,NA
+"18935","3-((((Isopropylamino)carbonyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((((Isopropylamino)carbonyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate",NA,"CC(C)NC(=O)OCC1=C2C(CCN2N=N1)OC(=O)C","SVIHJYUIIHWUSI-UHFFFAOYSA-N",362186,NA,"PDBC18935","625777","Present",NA,NA
+"18936","3-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclobutanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclobutanol",NA,"C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)O","XXPJAWHCORDZMI-UHFFFAOYSA-N",385248,NA,"PDBC18936","676361","Present",NA,NA
+"18937","3-(((2-(2,4-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((2-(2,4-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid",NA,"C1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O","IBTOSTKIDLKSIR-UHFFFAOYSA-N",380746,NA,"PDBC18937","666453","Present",NA,NA
+"18938","3-(((2-(2-Hydroxy-1-naphthyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((2-(2-Hydroxy-1-naphthyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid",NA,"C1C(=O)N(C(S1)C2=C(C=CC3=CC=CC=C32)O)NS(=O)(=O)C4=CC=CC(=C4)C(=O)O","IGYZXJCGDWQACZ-UHFFFAOYSA-N",380748,NA,"PDBC18938","666455","Present",NA,NA
+"18939","3-(((2-(4-(Dimethylamino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((2-(4-(Dimethylamino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid",NA,"CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O","CUYFIUFFEXPVFB-UHFFFAOYSA-N",380747,NA,"PDBC18939","666454","Present",NA,NA
+"18940","3-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-1-(hydroxymethyl)cyclobutanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-1-(hydroxymethyl)cyclobutanol",NA,"C1C(CC1(CO)O)CNC2=CC(=NC(=N2)N)Cl","SYHBLUDCGMKILQ-UHFFFAOYSA-N",385215,NA,"PDBC18940","676328","Present",NA,NA
+"18941","3-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclopentanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(hydroxymethyl)cyclopentanol",NA,"C1CC(CC1O)(CNC2=CC(=NC(=N2)N)Cl)CO","AAOOWHDBDCRODB-UHFFFAOYSA-N",385239,NA,"PDBC18941","676352","Present",NA,NA
+"18942","3-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-1-(hydroxymethyl)cyclobutanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-1-(hydroxymethyl)cyclobutanol",NA,"C1C(CC1(CO)O)COC2=CC(=NC(=N2)N)Cl","JJCVFPXTRCUEAO-UHFFFAOYSA-N",385275,NA,"PDBC18942","676386","Present",NA,NA
+"18943","3-(((2-Mercapto-6-(2-phenylvinyl)-4-pyrimidinyl)carbonyl)amino)-4-methylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3-[[6-[(E)-styryl]-2-sulfanyl-pyrimidine-4-carbonyl]amino]benzoic acid",NA,"CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=NC(=S)NC(=C2)C=CC3=CC=CC=C3","UTXHLQLKKUFVRS-CSKARUKUSA-N",5388433,NA,"PDBC18943","635972","Present",NA,NA
+"18944","3-(((3-Chlorophenyl)amino)methyl)-5-(2-hydroxyphenyl)-1,3,4-oxadiazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3-Chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-...",NA,"C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC(=CC=C3)Cl)O","NVPJDYROQRMSQZ-UHFFFAOYSA-N",3072664,NA,"PDBC18944","731990","Present",NA,NA
+"18945","3-(((4-((4-Cyanophenyl)methyl)-2,6-dimethyl-1-piperazinyl)imino)methyl)rifamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rifamycin, 3-[[[4-[(4-cyanophenyl)methyl]-2,6-dimethyl-1...",NA,"CC1CN(CC(N1N=CC2=C3C(=C4C(=C2O)C5=C(C(=C4O)C)OC(C5=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)N3)C)C)O)C)O)C)OC(=O)C)C)OC)C)O)C)CC6=CC=C(C=C6)C#N","VIEZZGHBQDFAGT-CTLQZCGTSA-N",135443612,NA,"PDBC18945","184736","Present",NA,NA
+"18946","3-(((4-Bromophenyl)sulfonyl)amino)-N-(2-chlorophenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((4-Bromophenyl)sulfonyl)amino)-N-(2-chlorophenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,"C1=CC=C(C(=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=C(C=C4)Br)Cl","LVSJSJYHUBENIM-UHFFFAOYSA-N",390421,NA,"PDBC18946","687775","Present",NA,NA
+"18947","3-(((4-Chlorophenyl)sulfonyl)amino)-N-(2-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((4-Chlorophenyl)sulfonyl)amino)-N-(2-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,"COC1=CC=CC=C1NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=C(C=C4)Cl","IJSFZGGBGILMRR-UHFFFAOYSA-N",390419,NA,"PDBC18947","687773","Present",NA,NA
+"18948","3-(((4-Iodophenyl)sulfonyl)amino)-N-(4-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((4-Iodophenyl)sulfonyl)amino)-N-(4-methoxyphenyl)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,"COC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)N=CN(C3=O)NS(=O)(=O)C4=CC=C(C=C4)I","LFAAFQMOZGKCDG-UHFFFAOYSA-N",390420,NA,"PDBC18948","687774","Present",NA,NA
+"18949","3-(((4-Methylphenyl)sulfonyl)hydrazono)-N-(2-phenylethyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((4-Methylphenyl)sulfonyl)hydrazono)-N-(2-phenylethyl)butanamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CC(=O)NCCC2=CC=CC=C2","OYNSBVXFPUVUCQ-LTGZKZEYSA-N",9555842,NA,"PDBC18949","641853","Present",NA,NA
+"18950","3-(((4-Methylphenyl)sulfonyl)oxy)-2-quinoxalinyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((4-Methylphenyl)sulfonyl)oxy)-2-quinoxalinyl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=CC=CC=C3N=C2OS(=O)(=O)C4=CC=C(C=C4)C","YSONXTJQPCICTE-UHFFFAOYSA-N",381309,NA,"PDBC18950","667747","Present",NA,NA
+"18951","3-(((4-Methylphenyl)sulfonyl)oxy)pyrazino[2,3-b]quinoxalin-2-yl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((4-Methylphenyl)sulfonyl)oxy)pyrazino[2,3-b]quinoxalin-2-yl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=NC4=CC=CC=C4N=C3N=C2OS(=O)(=O)C5=CC=C(C=C5)C","CPZKCOVBWFYTQJ-UHFFFAOYSA-N",381318,NA,"PDBC18951","667759","Present",NA,NA
+"18952","3-(((4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)amino)sulfonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-oxo-2-phenyl-thiazolidin-3-yl)sulfamoyl]benzoic acid",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O","IWTUOIQXBAXIDN-UHFFFAOYSA-N",380743,NA,"PDBC18952","666450","Present",NA,NA
+"18953","3-(((6-((2-Carboxyanilino)sulfonyl)-4-oxo-3(4H)-quinazolinyl)amino)sulfonyl)-4-methylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-({6-[(2-Carboxyphenyl)sulfamoyl]-4-oxoquinazolin-3(4h)-yl}sulfamoyl)-4-methylbenzoic acid",NA,"CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4C(=O)O","QMLIGHXZIDCDPB-UHFFFAOYSA-N",390425,NA,"PDBC18953","687779","Present",NA,NA
+"18954","3-(((Allylamino)carbothioyl)amino)-2-cyanoacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((Allylamino)carbothioyl)amino)-2-cyanoacrylamide",NA,"C=CCNC(=S)NC=C(C#N)C(=O)N","DYCKHRLWWQEWOV-AATRIKPKSA-N",3004596,NA,"PDBC18954","658513","Present",NA,NA
+"18955","3-(((Benzyloxy)carbonyl)amino)propyl 3-(((benzyloxy)carbonyl)amino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(N-Benzyloxycarbonyl)propyl,1-(N-Benzyloxycarbonyl)pro...",NA,"C1=CC=C(C=C1)COC(=O)NCCCOC(=O)CCNC(=O)OCC2=CC=CC=C2","ICHLFRFMZJPUMI-UHFFFAOYSA-N",376760,NA,"PDBC18955","657816","Present",NA,NA
+"18956","3-(((Cyclohexylamino)carbonyl)oxy)-4-methyl-1,3-thiazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((Cyclohexylamino)carbonyl)oxy)-4-methyl-1,3-thiazole-2(3H)-thione",NA,"CC1=CSC(=S)N1OC(=O)NC2CCCCC2","YWIGSPQBYOGMRD-UHFFFAOYSA-N",372703,NA,"PDBC18956","648263","Present",NA,NA
+"18957","3-(((Tert-Butyl(dimethyl)silyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(((Tert-Butyl(dimethyl)silyl)oxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate",NA,"CC(=O)OC1CCN2C1=C(N=N2)CO[Si](C)(C)C(C)(C)C","GGGPFXWZPAAYBK-UHFFFAOYSA-N",362190,NA,"PDBC18957","625781","Present",NA,NA
+"18958","3-((1,1-Dimethyl-2-propynyl)oxy)-1-methoxy-10-methyl-9(10H)-acridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((1,1-Dimethyl-2-propynyl)oxy)-1-methoxy-10-methyl-9(10H)-acridinone",NA,"CC(C)(C#C)OC1=CC2=C(C(=C1)OC)C(=O)C3=CC=CC=C3N2C","YROHGMCYIGGUGE-UHFFFAOYSA-N",378565,NA,"PDBC18958","661204","Present",NA,NA
+"18959","3-((1,3-Benzodioxol-5-ylmethylene)amino)-6H-benzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((1,3-Benzodioxol-5-ylmethylene)amino)-6H-benzo[c]chromen-6-one",NA,"C1OC2=C(O1)C=C(C=C2)C=NC3=CC4=C(C=C3)C5=CC=CC=C5C(=O)O4","VQEBKHUPMSDMKM-UHFFFAOYSA-N",269048,NA,"PDBC18959","109593","Present",NA,NA
+"18960","3-((1-Adamantylimino)methyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((1-Adamantylimino)methyl)benzonitrile",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)C#N","MESOCEVFWHRFRK-UHFFFAOYSA-N",365173,NA,"PDBC18960","632383","Present",NA,NA
+"18961","3-((1-Methyl-4-nitro-5-imidazolyl)thio)-1H-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,2,4-Triazole, 3-[(1-methyl-4-nitro-1H-imidazol-5-yl...",NA,"CN1C=NC(=C1SC2=NC=NN2)[N+](=O)[O-]","YUPUITJUYVPDSP-UHFFFAOYSA-N",100514,NA,"PDBC18961","311074","Present",NA,NA
+"18962","3-((1H-Imidazol-1-yl)methyl)-1-benzyl-5-nitro-1H-indole-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((1H-imidazol-1-yl)methyl)-1-benzyl-5-nitro-1H-indole-...",NA,"C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=C2C=O)CN4C=CN=C4","QEODFJMVDIPNKP-UHFFFAOYSA-N",361928,NA,"PDBC18962","625409","Present",NA,NA
+"18963","3-((2,2-Dimethyl-3,4-dihydro-2H-chromen-7-yl)oxy)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2,2-Dimethyl-3,4-dihydro-2H-chromen-7-yl)oxy)propanoic acid",NA,"CC1(CCC2=C(O1)C=C(C=C2)OCCC(=O)O)C","JNIAJYYUQYEOQQ-UHFFFAOYSA-N",361270,NA,"PDBC18963","624212","Present",NA,NA
+"18964","3-((2,2-Dimethylpropanoyl)oxy)-2-((phenylacetyl)oxy)propyl octanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2,2-Dimethylpropanoyl)oxy)-2-((phenylacetyl)oxy)propyl octanoate",NA,"CCCCCCCC(=O)OCC(COC(=O)C(C)(C)C)OC(=O)CC1=CC=CC=C1","SEBZOKLJHUYDPT-UHFFFAOYSA-N",372446,NA,"PDBC18964","647560","Present",NA,NA
+"18965","3-((2,2-Dimethylpropanoyl)oxy)-2-(hydroxy(oxido)amino)propyl pivalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2,2-Dimethylpropanoyl)oxy)-2-(hydroxy(oxido)amino)propyl pivalate",NA,"CC(C)(C)C(=O)OCC(COC(=O)C(C)(C)C)[N+](=O)[O-]","GPAFJOYSMVKLIG-UHFFFAOYSA-N",361155,NA,"PDBC18965","623987","Present",NA,NA
+"18966","3-((2,3-Dichlorophenyl)methylene)carbazamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Raphin1",NA,"C1=CC(=C(C(=C1)Cl)Cl)C=NN=C(N)N","WLTSTDGGFCQWTK-YIXHJXPBSA-N",9560222,NA,"PDBC18966","65809","Present",NA,NA
+"18967","3-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N-(4-(hydroxy(oxido)amino)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N-(4-(hydroxy(oxido)amino)phenyl)butanamide",NA,"CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]","UIENFXXWEZOEPP-VCHYOVAHSA-N",5752445,NA,"PDBC18967","641846","Present",NA,NA
+"18968","3-((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)-2,2-dimethyl-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2,5-Diamino-6-chloro-4-pyrimidinyl)amino)-2,2-dimethyl-1-propanol",NA,"CC(C)(CNC1=C(C(=NC(=N1)N)Cl)N)CO","GIOGNUNOQMYYEI-UHFFFAOYSA-N",385213,NA,"PDBC18968","676326","Present",NA,NA
+"18969","3-((2,6-Dihydroxy-4-pyrimidinyl)amino)benzyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2,6-Dihydroxy-4-pyrimidinyl)amino)benzyl thiocyanate",NA,"C1=CC(=CC(=C1)NC2=CC(=O)NC(=O)N2)CSC#N","CMCVIPUTXVXQNM-UHFFFAOYSA-N",388638,NA,"PDBC18969","683650","Present",NA,NA
+"18970","3-((2-((3-((2-Mercaptoethyl)thio)propyl)thio)ethyl)thio)-1-propanethiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2-((3-((2-Mercaptoethyl)thio)propyl)thio)ethyl)thio)-1-propanethiol",NA,"C(CS)CSCCSCCCSCCS","TZRHFQDCFPUCAL-UHFFFAOYSA-N",373741,NA,"PDBC18970","650640","Present",NA,NA
+"18971","3-((2-((3-Hydroxypropyl)thio)phenyl)thio)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2-((3-Hydroxypropyl)thio)phenyl)thio)-1-propanol",NA,"C1=CC=C(C(=C1)SCCCO)SCCCO","BNYRAEKXYGLTGS-UHFFFAOYSA-N",373745,NA,"PDBC18971","650644","Present",NA,NA
+"18972","3-((2-(3,4-Bis(benzyloxy)phenyl)-2-hydroxyethyl)amino)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2-(3,4-Bis(benzyloxy)phenyl)-2-hydroxyethyl)amino)-1-propanol",NA,"C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(CNCCCO)O)OCC3=CC=CC=C3","TYCVHWFTERFAOH-UHFFFAOYSA-N",383867,NA,"PDBC18972","672648","Present",NA,NA
+"18973","3-((2-(Benzoylamino)-3-phenylacryloyl)amino)-N-(3-hydroxypropyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2-(Benzoylamino)-3-phenylacryloyl)amino)-N-(3-hydroxypropyl)benzamide",NA,"C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)NCCCO)NC(=O)C3=CC=CC=C3","JKUSUWXNDPCFFL-QJOMJCCJSA-N",6477543,NA,"PDBC18973","686416","Present",NA,NA
+"18974","3-((2-Amino-2-oxoethyl)sulfinyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2-Amino-2-oxoethyl)sulfinyl)alanine",NA,"C(C(C(=O)O)N)S(=O)CC(=O)N","XSQKKPFNIVGDHL-UHFFFAOYSA-N",225083,NA,"PDBC18974","14161","Present",NA,NA
+"18975","3-((2-Amino-3-thienyl)sulfonyl)-2-thienylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2-Amino-3-thienyl)sulfonyl)-2-thienylamine",NA,"C1=CSC(=C1S(=O)(=O)C2=C(SC=C2)N)N","HFAJTDKRIDUPQO-UHFFFAOYSA-N",392828,NA,"PDBC18975","693805","Present",NA,NA
+"18976","3-((2-Amino-6-chloro-4-pyrimidinyl)amino)-2,2-dimethyl-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2-Amino-6-chloro-4-pyrimidinyl)amino)-2,2-dimethyl-1-propanol",NA,"CC(C)(CNC1=CC(=NC(=N1)N)Cl)CO","HBVZZAQGRMBILZ-UHFFFAOYSA-N",385209,NA,"PDBC18976","676322","Present",NA,NA
+"18977","3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK174100",NA,"C1=CC(=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl","VMWNQMAQVXLDIL-UHFFFAOYSA-N",287272,NA,"PDBC18977","146848","Present",NA,NA
+"18978","3-((2-Methoxy-4-nitrophenyl)amino)cyclohex-2-EN-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-methoxy-4-nitrophenyl)amino]cyclohex-2-en-1-one",NA,"COC1=C(C=CC(=C1)[N+](=O)[O-])NC2=CC(=O)CCC2","BDUBYPQFPJUIKW-UHFFFAOYSA-N",403916,NA,"PDBC18978","719575","Present",NA,NA
+"18979","3-((2-Methyl-1-naphthyl)methyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2-Methyl-1-naphthyl)methyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"CC1=C(C2=CC=CC=C2C=C1)CC3S(=O)(=O)OCCOS3(=O)=O","DZSOYXYGKZKKQT-UHFFFAOYSA-N",386592,NA,"PDBC18979","679043","Present",NA,NA
+"18980","3-((2-Methyl[1,1'-biphenyl]-4-yl)oxy)-1,2-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2-Methyl[1,1'-biphenyl]-4-yl)oxy)-1,2-propanediol",NA,"CC1=C(C=CC(=C1)OCC(CO)O)C2=CC=CC=C2","TVGMLVDBVKUDLV-UHFFFAOYSA-N",367371,NA,"PDBC18980","637010","Present",NA,NA
+"18981","3-((2-Pyridinylmethyl)amino)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydroxypropylpicolylamine",NA,"C1=CC=NC(=C1)CNCCCO","UTTDICFUEAFWJV-UHFFFAOYSA-N",248485,NA,"PDBC18981","65650","Present",NA,NA
+"18982","3-((2E)-2-{4-[(2-Cyanoethyl)(methylsulfonyl)amino]benzylidene}hydrazino)-N-(4-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-[4-[2-Cyanoethyl(methylsulfonyl)amino]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C","QOJYIHLPYYOQDO-HZHRSRAPSA-N",9555827,NA,"PDBC18982","638220","Present",NA,NA
+"18983","3-((3,4-Dimethoxyphenyl)(6-hydroxy-1,3-benzodioxol-5-yl)methyl)-4-hydroxy-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3,4-Dimethoxyphenyl)(6-hydroxy-1,3-benzodioxol-5-yl)methyl)-4-hydroxy-2(5H)-furanone",NA,"COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)C4=C(COC4=O)O)OC","GKPCWXUGSYMKJL-UHFFFAOYSA-N",54681652,NA,"PDBC18983","665495","Present",NA,NA
+"18984","3-((3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl)thio)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl)thio)propanoic acid",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCCSCCC(=O)O","HLTKJLWZQPFPON-UHFFFAOYSA-N",362709,NA,"PDBC18984","626948","Present",NA,NA
+"18985","3-((3-(Hydroxymethyl)-1-piperidinyl)methyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3-(Hydroxymethyl)-1-piperidinyl)methyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone",NA,"C1CC(CN(C1)CN2C(=O)C(=CC3=CC=CS3)NC2=S)CO","VJUNXPAQVWNAFR-QPEQYQDCSA-N",5469466,NA,"PDBC18985","688928","Present",NA,NA
+"18986","3-((3-(Methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3-(Methylthio)-4-quinolinyl)thio)-4(1H)-quinolinone",NA,"CSC1=C(C2=CC=CC=C2N=C1)SC3=CNC4=CC=CC=C4C3=O","NNBZVAAQEUSNMM-UHFFFAOYSA-N",373248,NA,"PDBC18986","649312","Present",NA,NA
+"18987","3-((3-Acetyl-4-oxopentyl)sulfonyl)-2-(tert-butylhydrazono)-N-(3-methoxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3-Acetyl-4-oxopentyl)sulfonyl)-2-(tert-butylhydrazono)-N-(3-methoxyphenyl)propanamide",NA,"CC(=O)C(CCS(=O)(=O)CC(=NNC(C)(C)C)C(=O)NC1=CC(=CC=C1)OC)C(=O)C","MMAFNYWYUGCYJM-NMWGTECJSA-N",9571288,NA,"PDBC18987","641409","Present",NA,NA
+"18988","3-((4,6-Dioxo-2-thioxohexahydro-5-pyrimidinyl)methyl)-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-4-(2-naphthyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-N-(4-methoxy-2-nitrophenyl)-4-naphthalen-2-yl-2,4-dioxobutanamide",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)C(CC2C(=O)NC(=S)NC2=O)C(=O)C3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]","FOOGIACKRONMOH-UHFFFAOYSA-N",3004390,NA,"PDBC18988","649580","Present",NA,NA
+"18989","3-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoic acid",NA,"CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=NC3=CC=CC(=C3)C(=O)O","RFEQBEGCDZLDSC-UHFFFAOYSA-N",370470,NA,"PDBC18989","643600","Present",NA,NA
+"18990","3-((4-(3,4-Dimethoxybenzylidene)-5-oxo-2-thioxo-1-imidazolidinyl)methylene)-2H-chromene-2,4(3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[[(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]-5-oxo-2-sulfanylideneimidazolidin-1-yl]methylidene]chromene-2,4-dione",NA,"COC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O)OC","WXELTYCTUAXNJP-FCNLOUOCSA-N",5467662,NA,"PDBC18990","657605","Present",NA,NA
+"18991","3-((4-(Aminosulfonyl)phenyl)diazenyl)-2-hydroxy-1-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((4-(Aminosulfonyl)phenyl)diazenyl)-2-hydroxy-1-naphthoic acid",NA,"C1=CC=C2C(=C1)C=C(C(=C2C(=O)O)O)N=NC3=CC=C(C=C3)S(=O)(=O)N","ROSNSSVBDFGLGW-UHFFFAOYSA-N",281365,NA,"PDBC18991","134148","Present",NA,NA
+"18992","3-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Carboxy-(2'-methyl-4'N,N-bis-2'cyanoethylamino) azoben...",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=CC(=C2)C(=O)O","XQLWUFCDTVCONH-UHFFFAOYSA-N",365294,NA,"PDBC18992","632845","Present",NA,NA
+"18993","3-((4-(Dimethylamino)benzylidene)amino)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((4-(Dimethylamino)benzylidene)amino)-2-phenyl-4(3H)-quinazolinone",NA,"CN(C)C1=CC=C(C=C1)C=NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4","ZODVXVXCAGSHMO-LFVJCYFKSA-N",9556296,NA,"PDBC18993","685849","Present",NA,NA
+"18994","3-((4-(Methylthio)phenoxy)methyl)-2-oxiranol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((4-(Methylthio)phenoxy)methyl)-2-oxiranol",NA,"CSC1=CC=C(C=C1)OCC2C(O2)O","UYBBRHDKOYCCIJ-UHFFFAOYSA-N",366923,NA,"PDBC18994","636087","Present",NA,NA
+"18995","3-((4-Amino-3-methoxy-1-naphthyl)diazenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, m-(4-amino-3-methoxy-1-naphthylazo)-",NA,"COC1=C(C2=CC=CC=C2C(=C1)N=NC3=CC(=CC=C3)S(=O)(=O)N)N","SWMNSABUWYKPAU-UHFFFAOYSA-N",248466,NA,"PDBC18995","65537","Present",NA,NA
+"18996","3-((4-Bromobenzyl)oxy)-N-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((4-Bromobenzyl)oxy)-N-hydroxybenzamide",NA,"C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Br)C(=O)NO","MGEKKIYVXAADOR-UHFFFAOYSA-N",392392,NA,"PDBC18996","692756","Present",NA,NA
+"18997","3-((4-Chloro-3-methylphenoxy)methyl)-10-methyl-10H-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chloro-3-methylphenoxy)methyl]-10-methyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,"CC1=C(C=CC(=C1)OCC2=NN=C3N2S(=O)(=O)C4=CC=CC=C4N3C)Cl","JOWPBGJSSNYDJH-UHFFFAOYSA-N",341529,NA,"PDBC18997","373879","Present",NA,NA
+"18998","3-((4-Chlorophenyl)(6-hydroxy-1,3-benzodioxol-5-yl)methyl)-4-hydroxy-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((4-Chlorophenyl)(6-hydroxy-1,3-benzodioxol-5-yl)methyl)-4-hydroxy-2(5H)-furanone",NA,"C1C(=C(C(=O)O1)C(C2=CC=C(C=C2)Cl)C3=CC4=C(C=C3O)OCO4)O","RLIUCWGSAUIPRX-UHFFFAOYSA-N",54681651,NA,"PDBC18998","665494","Present",NA,NA
+"18999","3-((4-Methoxybenzylidene)amino)-2,4(1H,3H)-quinazolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((4-Methoxybenzylidene)amino)-2,4(1H,3H)-quinazolinedione",NA,"COC1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O","ZTIFMGYGOGUMQK-LICLKQGHSA-N",9556314,NA,"PDBC18999","691078","Present",NA,NA
+"19000","3-((4-Pyridinylmethyl)amino)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK510925",NA,"C1=CN=CC=C1CNCCCO","JCRHBJDXSHWFLX-UHFFFAOYSA-N",248486,NA,"PDBC19000","65652","Present",NA,NA
+"19001","3-((4-Toluidinocarbonyl)thio)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-4-Methylphenylthiocarbamoyl)]-propanoic acid",NA,"CC1=CC=C(C=C1)NC(=O)SCCC(=O)O","YWDRFDKLIWCOPF-UHFFFAOYSA-N",363906,NA,"PDBC19001","629294","Present",NA,NA
+"19002","3-((8-Quinolinylamino)carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((8-Quinolinylamino)carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,"C1CC2C(C(C1O2)C(=O)NC3=CC=CC4=C3N=CC=C4)C(=O)O","RDUVQHCMRVEVJK-UHFFFAOYSA-N",413333,NA,"PDBC19002","47106","Present",NA,NA
+"19003","3-((9,10-Dihydroanthracen-1-yl)diazenyl)-2-hydroxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((9,10-dioxo-2-sulfo-9,10-dihydroanthracen-1-yl)diazen...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)S(=O)(=O)O)N=NC4=CC=CC(=C4O)C(=O)O","SGZIPXUJJLQYDT-UHFFFAOYSA-N",277275,NA,"PDBC19003","125908","Present",NA,NA
+"19004","3-((9H-Purin-6-ylthio)methyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((9H-Purin-6-ylthio)methyl)benzonitrile",NA,"C1=CC(=CC(=C1)C#N)CSC2=NC=NC3=C2NC=N3","GHBHZUFGNMVIQF-UHFFFAOYSA-N",386902,NA,"PDBC19004","679802","Present",NA,NA
+"19005","3-((Acetyloxy)methyl)-7b-hydroxy-9a-(isobutyryloxy)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa(3,4)benzo(1,2-e)azulen-9-yl 2,4-octadienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deoxyphorbol, 20-o-acetyl-13-o-isobutyryl-12-o-(z,e)-2,4-",NA,"CCCC=CC=CC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)C)OC(=O)C(C)C)COC(=O)C)C)O)C","OUVDYLSPZLYACO-LDHFCIDVSA-N",5477555,NA,"PDBC19005","329507","Present",NA,NA
+"19006","3-((Amino(imino)methyl)hydrazono)-2-((diisobutylamino)methyl)-N-(2,4-dimethylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Amino(imino)methyl)hydrazono)-2-((diisobutylamino)methyl)-N-(2,4-dimethylphenyl)butanamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(CN(CC(C)C)CC(C)C)C(=NN=C(N)N)C)C","HIEQIOSESZOSHU-NLRVBDNBSA-N",9571349,NA,"PDBC19006","647128","Present",NA,NA
+"19007","3-((Amino(imino)methyl)hydrazono)-N-(3-chloro-2-methylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Amino(imino)methyl)hydrazono)-N-(3-chloro-2-methylphenyl)butanamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)CC(=NN=C(N)N)C","ALBZJEQXIILZJS-REZTVBANSA-N",9571309,NA,"PDBC19007","641872","Present",NA,NA
+"19008","3-((Aminocarbonyl)amino)-4-hydroxy-5-iodophenylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-13161",NA,"C1=C(C=C(C(=C1NC(=O)N)O)I)[As](=O)(O)O","FJBONOFRUWVUSD-UHFFFAOYSA-N",224575,NA,"PDBC19008","13161","Present",NA,NA
+"19009","3-((Aminocarbonyl)hydrazono)-2,5-bis(4-chlorophenyl)-4-oxohexanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbonyl)hydrazono)-2,5-bis(4-chlorophenyl)-4-oxohexanedinitrile",NA,"C1=CC(=CC=C1C(C#N)C(=NNC(=O)N)C(=O)C(C#N)C2=CC=C(C=C2)Cl)Cl","OUYYAJBHQYUTQD-UQQQWYQISA-N",9570042,NA,"PDBC19009","635394","Present",NA,NA
+"19010","3-((Aminocarbonyl)hydrazono)-4-oxo-2,5-diphenylhexanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbonyl)hydrazono)-4-oxo-2,5-diphenylhexanedinitrile",NA,"C1=CC=C(C=C1)C(C#N)C(=NNC(=O)N)C(=O)C(C#N)C2=CC=CC=C2","GBRSKFAVFMUQFI-QJOMJCCJSA-N",9570038,NA,"PDBC19010","635331","Present",NA,NA
+"19011","3-((Aminocarbonyl)hydrazono)-N-(2,4,5-trichlorophenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbonyl)hydrazono)-N-(2,4,5-trichlorophenyl)butanamide",NA,"CC(=NNC(=O)N)CC(=O)NC1=CC(=C(C=C1Cl)Cl)Cl","JRVHNCBSQRBWBM-YAXRCOADSA-N",9571304,NA,"PDBC19011","641863","Present",NA,NA
+"19012","3-((Aminocarbonyl)hydrazono)-N-(2-(hydroxy(oxido)amino)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbonyl)hydrazono)-N-(2-(hydroxy(oxido)amino)phenyl)butanamide",NA,"CC(=NNC(=O)N)CC(=O)NC1=CC=CC=C1[N+](=O)[O-]","KBIIYBNZZZFXSP-VGOFMYFVSA-N",9555843,NA,"PDBC19012","641856","Present",NA,NA
+"19013","3-((Aminocarbonyl)hydrazono)-N-(3,4-dimethylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbonyl)hydrazono)-N-(3,4-dimethylphenyl)butanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=O)N)C)C","ISYRZTPFFRZIFH-MHWRWJLKSA-N",9571305,NA,"PDBC19013","641866","Present",NA,NA
+"19014","3-((Aminocarbonyl)hydrazono)-N-(4-(hydroxy(oxido)amino)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbonyl)hydrazono)-N-(4-(hydroxy(oxido)amino)phenyl)butanamide",NA,"CC(=NNC(=O)N)CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]","FBTUIVCIEVWLJG-VGOFMYFVSA-N",5923476,NA,"PDBC19014","641874","Present",NA,NA
+"19015","3-((Aminocarbothioyl)diazenyl)-N-(4-((3-((aminocarbothioyl)diazenyl)butanoyl)amino)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbothioyl)diazenyl)-N-(4-((3-((aminocarbothioyl)diazenyl)butanoyl)amino)phenyl)butanamide",NA,"CC(CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C)N=NC(=S)N)N=NC(=S)N","FLTJTMPAKBGLRM-UHFFFAOYSA-N",3004287,NA,"PDBC19015","642613","Present",NA,NA
+"19016","3-((Aminocarbothioyl)hydrazono)-2-((diethylamino)methyl)-N-(2,6-dimethylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbothioyl)hydrazono)-2-((diethylamino)methyl)-N-(2,6-dimethylphenyl)butanamide",NA,"CCN(CC)CC(C(=NNC(=S)N)C)C(=O)NC1=C(C=CC=C1C)C","XHWUYFYYKFGRCQ-KGENOOAVSA-N",9554725,NA,"PDBC19016","641843","Present",NA,NA
+"19017","3-((Aminocarbothioyl)hydrazono)-2-((diisobutylamino)methyl)-N-(2,4-dimethylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbothioyl)hydrazono)-2-((diisobutylamino)methyl)-N-(2,4-dimethylphenyl)butanamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(CN(CC(C)C)CC(C)C)C(=NNC(=S)N)C)C","KKRQNXAZTCJKAZ-XIEYBQDHSA-N",9554730,NA,"PDBC19017","647125","Present",NA,NA
+"19018","3-((Aminocarbothioyl)hydrazono)-N-(2,3-dimethylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbothioyl)hydrazono)-N-(2,3-dimethylphenyl)butanamide",NA,"CC1=C(C(=CC=C1)NC(=O)CC(=NNC(=S)N)C)C","OXIDOPDFTGMABS-CXUHLZMHSA-N",9571311,NA,"PDBC19018","641875","Present",NA,NA
+"19019","3-((Aminocarbothioyl)hydrazono)-N-(3,4-dimethylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbothioyl)hydrazono)-N-(3,4-dimethylphenyl)butanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CC(=NNC(=S)N)C)C","JORBFIDVPZEENW-MHWRWJLKSA-N",9554726,NA,"PDBC19019","641848","Present",NA,NA
+"19020","3-((Aminocarbothioyl)hydrazono)-N-(3-chloro-2-methylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Aminocarbothioyl)hydrazono)-N-(3-chloro-2-methylphenyl)butanamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)CC(=NNC(=S)N)C","ZUHSVOQZBQPJQF-FRKPEAEDSA-N",9571307,NA,"PDBC19020","641869","Present",NA,NA
+"19021","3-((Aminocarbothioyl)hydrazono)-N-(4-chlorophenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK044062",NA,"CC(=NNC(=S)N)CC(=O)NC1=CC=C(C=C1)Cl","TZGCKCLIFHSVBW-VIZOYTHASA-N",5981635,NA,"PDBC19021","641845","Present",NA,NA
+"19022","3-((Aminocarbothioyl)hydrazono)-N-(4-methylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3E)-3-(carbamothioylhydrazono)-N-(p-tolyl)butanamide",NA,"CC1=CC=C(C=C1)NC(=O)CC(=NNC(=S)N)C","QJAQWCKSIJWEKL-OQLLNIDSSA-N",9571306,NA,"PDBC19022","641867","Present",NA,NA
+"19023","3-((Aminocarbothioyl)hydrazono)-N-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetoacetanilide thiosemicarbazone",NA,"CC(=NNC(=S)N)CC(=O)NC1=CC=CC=C1","KJXYWKHNGSPGLT-RIYZIHGNSA-N",6255911,NA,"PDBC19023","641864","Present",NA,NA
+"19024","3-((Benzyloxy)methyl)-7-methylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Benzyloxy)methyl)-7-methylthieno[3,2-d]pyrimidine-2,4(1H,3H)-dione",NA,"CC1=CSC2=C1NC(=O)N(C2=O)COCC3=CC=CC=C3","FOFNRUSBIDHFPY-UHFFFAOYSA-N",385458,NA,"PDBC19024","676696","Present",NA,NA
+"19025","3-((Cyanoacetyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Cyanoacetyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)butanamide",NA,"CC(=NNC(=O)CC#N)CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]","VZRIKFDJDYBVCH-CXUHLZMHSA-N",9571303,NA,"PDBC19025","641862","Present",NA,NA
+"19026","3-((Cyclohexyloxy)methyl)-4,4-dimethyl-1,3-oxazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxazolidine, 3-[(cyclohexyloxy)methyl]-4,4-dimethyl-",NA,"CC1(COCN1COC2CCCCC2)C","RVHQEWPGKMOMPN-UHFFFAOYSA-N",327610,NA,"PDBC19026","303534","Present",NA,NA
+"19027","3-((Diallylamino)methyl)-1,3-benzothiazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Diallylamino)methyl)-1,3-benzothiazole-2(3H)-thione",NA,"C=CCN(CC=C)CN1C2=CC=CC=C2SC1=S","ULYGKMLLNPMDMK-UHFFFAOYSA-N",376509,NA,"PDBC19027","657450","Present",NA,NA
+"19028","3-((Dimethylamino)(4-morpholinyl)methyl)-4-hydroxy-1,5-diphenyl-1,5-dihydro-2H-pyrrol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Dimethylamino)(4-morpholinyl)methyl)-4-hydroxy-1,5-diphenyl-1,5-dihydro-2H-pyrrol-2-one",NA,"CN(C)C(C1=C(C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)O)N4CCOCC4","MQHUSMJMGDZPKD-UHFFFAOYSA-N",54681649,NA,"PDBC19028","663787","Present",NA,NA
+"19029","3-((Dimethylamino)methyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Dimethylamino)methyl)-N,N-dimethyl-1,2,4-thiadiazol-5-amine",NA,"CN(C)CC1=NSC(=N1)N(C)C","BRPCUNWSXFDLON-UHFFFAOYSA-N",332609,NA,"PDBC19029","330683","Present",NA,NA
+"19030","3-((Hydroxymethoxy)methyl)-3-buten-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxymethoxymethyl)-3-butene-2-one",NA,"CC(=O)C(=C)COCO","PFZCPPGGKUTDPG-UHFFFAOYSA-N",376773,NA,"PDBC19030","657833","Present",NA,NA
+"19031","3-((Tert-Butyl(diphenyl)silyl)oxy)-4-hydroxy-4-methylpentyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Tert-Butyl(diphenyl)silyl)oxy)-4-hydroxy-4-methylpentyl acetate",NA,"CC(=O)OCCC(C(C)(C)O)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C","LSWSNIUFJLRSBD-UHFFFAOYSA-N",357858,NA,"PDBC19031","617391","Present",NA,NA
+"19032","3-((Tetrahydro-2H-pyran-2-yloxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((Tetrahydro-2H-pyran-2-yloxy)methyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazole",NA,"C1CCOC(C1)OCC2=C3CCCN3N=N2","XHDNAHSIMDYOSP-UHFFFAOYSA-N",360959,NA,"PDBC19032","623687","Present",NA,NA
+"19033","3-(1,1-Dimethyl-2-propenyl)-2,6-dimethoxy-5-methyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,1-Dimethyl-2-propenyl)-2,6-dimethoxy-5-methyl-4H-chromen-4-one",NA,"CC1=C(C=CC2=C1C(=O)C(=C(O2)OC)C(C)(C)C=C)OC","VMTUXSKDRLSKQG-UHFFFAOYSA-N",380491,NA,"PDBC19033","666106","Present",NA,NA
+"19034","3-(1,1-Dimethylprop-2-ynoxy)-1-hydroxy-10-methyl-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,1-Dimethylprop-2-ynoxy)-1-hydroxy-10-methyl-acridin-9-one",NA,"CC(C)(C#C)OC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2C","PIGHZUGIELAGHO-UHFFFAOYSA-N",5466993,NA,"PDBC19034","646652","Present",NA,NA
+"19035","3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-1-benzofuran-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-1-benzofuran-2(3H)-one",NA,"COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)C(=O)C4=CC=C(C=C4)OC","MZLRPXKKFRFKOM-UHFFFAOYSA-N",370924,NA,"PDBC19035","644730","Present",NA,NA
+"19036","3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-5,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-5,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,"COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","OZPIULLKZDKLQK-UHFFFAOYSA-N",366625,NA,"PDBC19036","635300","Present",NA,NA
+"19037","3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,"CC1=CC(=CC2=C1NC(=O)C2(C(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC)O)Cl","APMKABRGHZKDQU-UHFFFAOYSA-N",366630,NA,"PDBC19037","635305","Present",NA,NA
+"19038","3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-6-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-6-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,"CC1=C(C=CC2=C1NC(=O)C2(C(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC)O)Cl","KZYIIXMGQAFKGJ-UHFFFAOYSA-N",366678,NA,"PDBC19038","635395","Present",NA,NA
+"19039","3-(1,3-Benzodioxol-5-yl)-1-(2-(2-(hydroxy(oxido)amino)-4-methylanilino)-4-methyl-1,3-thiazol-5-yl)-2-propen-1-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-C-[(E)-2-(1,3-Benzodioxol-5-yl)ethenyl]-N-(2,4-dinitroanilino)carbonimidoyl]-4-methyl-N-(4-methyl-2-nitrophenyl)-1,3-thiazol-2-amine",NA,"CC1=CC(=C(C=C1)NC2=NC(=C(S2)C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=CC4=CC5=C(C=C4)OCO5)C)[N+](=O)[O-]","NWOVWQPMMWSTFW-VZKZHWFBSA-N",135499152,NA,"PDBC19039","640341","Present",NA,NA
+"19040","3-(1,3-Benzodioxol-5-yl)-1-methyl-5-phenyl-2-(2-thienyl)pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzodioxol-5-yl)-1-methyl-5-phenyl-2-(2-thienyl)pyrrole",NA,"CN1C(=CC(=C1C2=CC=CS2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5","YUVKZOYXWWKHGW-UHFFFAOYSA-N",395544,NA,"PDBC19040","700237","Present",NA,NA
+"19041","3-(1,3-Benzodioxol-5-yl)-1-methyl-5-phenyl-2-(3-thienyl)pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzodioxol-5-yl)-1-methyl-5-phenyl-2-(3-thienyl)pyrrole",NA,"CN1C(=CC(=C1C2=CSC=C2)C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5","QHGDCDOZSYUKSH-UHFFFAOYSA-N",395549,NA,"PDBC19041","700242","Present",NA,NA
+"19042","3-(1,3-Benzodioxol-5-yl)-2-bromopropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRKWOWUERBURAB-UHFFFAOYSA-N",NA,"C1OC2=C(O1)C=C(C=C2)CC(C(=O)O)Br","BRKWOWUERBURAB-UHFFFAOYSA-N",357762,NA,"PDBC19042","617285","Present",NA,NA
+"19043","3-(1,3-Benzodioxol-5-yl)-2-oxopropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AKMUYFNCIDWIQH-UHFFFAOYSA-N",NA,"C1OC2=C(O1)C=C(C=C2)CC(=O)C(=O)O","AKMUYFNCIDWIQH-UHFFFAOYSA-N",270517,NA,"PDBC19043","112983","Present",NA,NA
+"19044","3-(1,3-Benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-1H-pyrazole",NA,"C1OC2=C(O1)C=C(C=C2)C3=NNC(=C3)C4=CC(=C(C=C4Cl)Cl)F","ATSCONPRNWXNPY-UHFFFAOYSA-N",402001,NA,"PDBC19044","715690","Present",NA,NA
+"19045","3-(1,3-Benzodioxol-5-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzodioxol-5-yl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-2-carbothioamide",NA,"COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=C(C=C3)OCO4)C(=S)N","YIAVSFNBFYHMDE-UHFFFAOYSA-N",57338407,NA,"PDBC19045","753925","Present",NA,NA
+"19046","3-(1,3-Benzodioxol-5-yl)-N-(2-(2-furyl)ethyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzodioxol-5-yl)-N-(2-(2-furyl)ethyl)acrylamide",NA,"C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCCC3=CC=CO3","KOMQUBVHUDFUIR-GQCTYLIASA-N",5469852,NA,"PDBC19046","693418","Present",NA,NA
+"19047","3-(1,3-Benzodioxol-5-ylimino)-5-bromo-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzodioxol-5-ylimino)-5-bromo-1H-indol-2-one",NA,"C1OC2=C(O1)C=C(C=C2)N=C3C4=C(C=CC(=C4)Br)NC3=O","VJVKYOFFNJXOFG-UHFFFAOYSA-N",135452427,NA,"PDBC19047","201438","Present",NA,NA
+"19048","3-(1,3-Benzodioxol-5-ylmethyl)-7-(2,4-dichloro-5-fluorophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzodioxol-5-ylmethyl)-7-(2,4-dichloro-5-fluorophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,"C1OC2=C(O1)C=C(C=C2)CC3=NN=C4N(C3=O)N=C(S4)C5=CC(=C(C=C5Cl)Cl)F","ZXAJNEUHNSYXDT-UHFFFAOYSA-N",11408343,NA,"PDBC19048","726303","Present",NA,NA
+"19049","3-(1,3-Benzodioxol-5-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzodioxol-5-ylmethylideneamino)-6-(hydroxymethyl)oxane-2,4,5-triol",NA,"C1OC2=C(O1)C=C(C=C2)C=NC3C(C(C(OC3O)CO)O)O","UIYDBYNUALKLFL-UHFFFAOYSA-N",251176,NA,"PDBC19049","71426","Present",NA,NA
+"19050","3-(1,3-Benzothiazol-2-yl)-2-oxo-N-(2-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-2-oxo-N-(2-(trifluoromethyl)phenyl)propanamide",NA,"C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","HAYNGZFAMRNCBH-UHFFFAOYSA-N",367755,NA,"PDBC19050","637694","Present",NA,NA
+"19051","3-(1,3-Benzothiazol-2-yl)-2-oxo-N-(3-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-2-oxo-N-(3-(trifluoromethyl)phenyl)propanamide",NA,"C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F","GQAUMDQDRZXYCL-UHFFFAOYSA-N",360721,NA,"PDBC19051","623057","Present",NA,NA
+"19052","3-(1,3-Benzothiazol-2-yl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-2-oxopropanamide",NA,"C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)N","RMUBVXKTSWBOKI-UHFFFAOYSA-N",366695,NA,"PDBC19052","635412","Present",NA,NA
+"19053","3-(1,3-Benzothiazol-2-yl)-3-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-3-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropanamide",NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=NC4=CC=CC=C4S3","UVGQCQNVEBLCAY-UHFFFAOYSA-N",364758,NA,"PDBC19053","631517","Present",NA,NA
+"19054","3-(1,3-Benzothiazol-2-yl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=NC4=CC=CC=C4S3)N)[O-]","XFAFGNKJSVBNAF-UHFFFAOYSA-N",135435499,NA,"PDBC19054","621505","Present",NA,NA
+"19055","3-(1,3-Benzothiazol-2-yl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=NC4=CC=CC=C4S3)N)[O-]","LMAPNZRKSOMDLH-UHFFFAOYSA-N",135503394,NA,"PDBC19055","621738","Present",NA,NA
+"19056","3-(1,3-Benzothiazol-2-yl)-N-(2,4-dichlorophenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-N-(2,4-dichlorophenyl)-2-oxopropanamide",NA,"C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","ZIKDMKNLTQACCA-UHFFFAOYSA-N",360701,NA,"PDBC19056","623037","Present",NA,NA
+"19057","3-(1,3-Benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-2-oxopropanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","KEMSPLZRXSXMQA-UHFFFAOYSA-N",360994,NA,"PDBC19057","623726","Present",NA,NA
+"19058","3-(1,3-Benzothiazol-2-yl)-N-(2-ethoxyphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-N-(2-ethoxyphenyl)-2-oxopropanamide",NA,"CCOC1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","RWELTKNQSGFVBV-UHFFFAOYSA-N",360719,NA,"PDBC19058","623055","Present",NA,NA
+"19059","3-(1,3-Benzothiazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide",NA,"CCC1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)C","HBAKRMUVDKHXIM-UHFFFAOYSA-N",360702,NA,"PDBC19059","623038","Present",NA,NA
+"19060","3-(1,3-Benzothiazol-2-yl)-N-(2-isopropylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-N-(2-isopropylphenyl)-2-oxopropanamide",NA,"CC(C)C1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","IRXIJDMXOMQVBU-UHFFFAOYSA-N",360706,NA,"PDBC19060","623042","Present",NA,NA
+"19061","3-(1,3-Benzothiazol-2-yl)-N-(2-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-N-(2-methylphenyl)-2-oxopropanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","ADDWUSDTDDHDPL-UHFFFAOYSA-N",367756,NA,"PDBC19061","637695","Present",NA,NA
+"19062","3-(1,3-Benzothiazol-2-yl)-N-(2-sec-butyl-6-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-N-(2-sec-butyl-6-methylphenyl)-2-oxopropanamide",NA,"CCC(C)C1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3S2)C","PDJLSVCTOBJODT-UHFFFAOYSA-N",366513,NA,"PDBC19062","635122","Present",NA,NA
+"19063","3-(1,3-Benzothiazol-2-yl)-N-(2-tert-butyl-6-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-N-(2-tert-butyl-6-methylphenyl)-2-oxopropanamide",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)CC2=NC3=CC=CC=C3S2","MWHUHOUWYYCZJK-UHFFFAOYSA-N",360705,NA,"PDBC19063","623041","Present",NA,NA
+"19064","3-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-2-oxopropanamide",NA,"C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=CC=C(C=C3)Cl","JWMLBTZZDYIFMG-UHFFFAOYSA-N",361002,NA,"PDBC19064","623734","Present",NA,NA
+"19065","3-(1,3-Benzothiazol-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C13H9NOS",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=CC=C3)O","JIWVTDBBMGSTFI-UHFFFAOYSA-N",242605,NA,"PDBC19065","51369","Present",NA,NA
+"19066","3-(1,3-Benzothiazol-2-yl)quinoxalin-2-amine 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzothiazol-2-yl)quinoxalin-2-amine 1,4-dioxide",NA,"C1=CC=C2C(=C1)N=C(S2)C3=[N+](C4=CC=CC=C4[N+](=C3N)[O-])[O-]","RZZQVVAFYJWGAT-UHFFFAOYSA-N",135483923,NA,"PDBC19066","621494","Present",NA,NA
+"19067","3-(1,3-Benzoxazol-2-yl)-2-oxo-N-(2-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-2-oxo-N-(2-(trifluoromethyl)phenyl)propanamide",NA,"C1=CC=C(C(=C1)C(F)(F)F)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2","NHIQOMWPRPNUAZ-UHFFFAOYSA-N",360726,NA,"PDBC19067","623062","Present",NA,NA
+"19068","3-(1,3-Benzoxazol-2-yl)-2-oxo-N-(3-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-2-oxo-N-(3-(trifluoromethyl)phenyl)propanamide",NA,"C1=CC=C2C(=C1)N=C(O2)CC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F","JPAZVODSXPOEKV-UHFFFAOYSA-N",361001,NA,"PDBC19068","623733","Present",NA,NA
+"19069","3-(1,3-Benzoxazol-2-yl)-4,6-bis(4-chlorophenyl)pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-4,6-bis(4-chlorophenyl)pyridin-2-amine",NA,"C1=CC=C2C(=C1)N=C(O2)C3=C(N=C(C=C3C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)N","MOTJCNWJLQCVDU-UHFFFAOYSA-N",24206035,NA,"PDBC19069","737746","Present",NA,NA
+"19070","3-(1,3-Benzoxazol-2-yl)-4-(4-chlorophenyl)-6-phenylpyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-4-(4-chlorophenyl)-6-phenylpyridin-2-amine",NA,"C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5O4)N","RDGLDIVYCYIZGG-UHFFFAOYSA-N",24206033,NA,"PDBC19070","737744","Present",NA,NA
+"19071","3-(1,3-Benzoxazol-2-yl)-6-(4-chlorophenyl)-4-phenylpyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-6-(4-chlorophenyl)-4-phenylpyridin-2-amine",NA,"C1=CC=C(C=C1)C2=CC(=NC(=C2C3=NC4=CC=CC=C4O3)N)C5=CC=C(C=C5)Cl","DDGHRWTZWIKUIX-UHFFFAOYSA-N",24206034,NA,"PDBC19071","737745","Present",NA,NA
+"19072","3-(1,3-Benzoxazol-2-yl)-N-(2,4-dichlorophenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-N-(2,4-dichlorophenyl)-2-oxopropanamide",NA,"C1=CC=C2C(=C1)N=C(O2)CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","BXWRMQVHOPFRQY-UHFFFAOYSA-N",367757,NA,"PDBC19072","637696","Present",NA,NA
+"19073","3-(1,3-Benzoxazol-2-yl)-N-(2,4-dimethylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-N-(2,4-dimethylphenyl)-2-oxopropanamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2)C","KNKWXSZWEOAKKP-UHFFFAOYSA-N",366717,NA,"PDBC19073","635433","Present",NA,NA
+"19074","3-(1,3-Benzoxazol-2-yl)-N-(2,6-diethylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-N-(2,6-diethylphenyl)-2-oxopropanamide",NA,"CCC1=C(C(=CC=C1)CC)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2","JWONMAMNWJAPOL-UHFFFAOYSA-N",366706,NA,"PDBC19074","635423","Present",NA,NA
+"19075","3-(1,3-Benzoxazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-N-(2-ethyl-6-methylphenyl)-2-oxopropanamide",NA,"CCC1=CC=CC(=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3O2)C","SOPKGDXOQICGIZ-UHFFFAOYSA-N",366712,NA,"PDBC19075","635428","Present",NA,NA
+"19076","3-(1,3-Benzoxazol-2-yl)-N-(2-sec-butyl-6-ethylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-N-(2-sec-butyl-6-ethylphenyl)-2-oxopropanamide",NA,"CCC1=C(C(=CC=C1)C(C)CC)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2","QSMIRHYSRGDBOV-UHFFFAOYSA-N",366534,NA,"PDBC19076","635143","Present",NA,NA
+"19077","3-(1,3-Benzoxazol-2-yl)-N-(3-chlorophenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-N-(3-chlorophenyl)-2-oxopropanamide",NA,"C1=CC=C2C(=C1)N=C(O2)CC(=O)C(=O)NC3=CC(=CC=C3)Cl","GLILGTPOPWELJG-UHFFFAOYSA-N",360704,NA,"PDBC19077","623040","Present",NA,NA
+"19078","3-(1,3-Benzoxazol-2-yl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC2=NC3=CC=CC=C3O2","FITCDFQNYHLDFA-UHFFFAOYSA-N",366514,NA,"PDBC19078","635123","Present",NA,NA
+"19079","3-(1,3-Benzoxazol-2-yl)piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Benzoxazol-2-yl)piperidine-2,6-dione",NA,"C1CC(=O)NC(=O)C1C2=NC3=CC=CC=C3O2","BPJJXIGYEZKQKP-UHFFFAOYSA-N",365992,NA,"PDBC19079","634158","Present",NA,NA
+"19080","3-(1,3-Dibromo-2-oxocycloheptyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dibromo-2-oxocycloheptyl)propanoic acid",NA,"C1CCC(C(=O)C(C1)Br)(CCC(=O)O)Br","CRVUUUNYECMFEJ-UHFFFAOYSA-N",364668,NA,"PDBC19080","631298","Present",NA,NA
+"19081","3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-3-(4-fluorophenyl)-N,N-dimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-3-(4-fluorophenyl)-N,N-dimethylpropanamide",NA,"CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=C(C=C2)F)C(C(=O)N(C)C)(F)F","PMLQPWXQROUZAI-UHFFFAOYSA-N",395446,NA,"PDBC19081","699991","Present",NA,NA
+"19082","3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-3-(4-methoxyphenyl)-N,N-dimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-3-(4-methoxyphenyl)-N,N-dimethylpropanamide",NA,"CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=C(C=C2)OC)C(C(=O)N(C)C)(F)F","FVEWSMZCYSUNCJ-UHFFFAOYSA-N",395450,NA,"PDBC19082","699995","Present",NA,NA
+"19083","3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-(4-methylphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-(4-methylphenyl)propanamide",NA,"CC1=CC=C(C=C1)C(C2C(=O)N(C(=O)N(C2=O)C)C)C(C(=O)N(C)C)(F)F","ABPVWQZXEGYKQC-UHFFFAOYSA-N",395449,NA,"PDBC19083","699994","Present",NA,NA
+"19084","3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]propanamide",NA,"CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=C(C=C2)C(F)(F)F)C(C(=O)N(C)C)(F)F","UJHMTYAZLDVNIW-UHFFFAOYSA-N",395447,NA,"PDBC19084","699992","Present",NA,NA
+"19085","3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethyl-3-phenylpropanamide",NA,"CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=CC=C2)C(C(=O)N(C)C)(F)F","SEFJSXGWMWKYCR-UHFFFAOYSA-N",395445,NA,"PDBC19085","699990","Present",NA,NA
+"19086","3-(1,3-Dimethylbenzimidazol-3-ium-2-yl)aniline;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692416",NA,"CN1C2=CC=CC=C2[N+](=C1C3=CC(=CC=C3)N)C.[I-]","CVMNNOIYCXJUSC-UHFFFAOYSA-M",392279,NA,"PDBC19086","692416","Present",NA,NA
+"19087","3-(1,3-Dioxobenzo[f]isoindol-2-yl)propyl-[6-[3-(1,3-dioxobenzo[f]isoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dioxobenzo[f]isoindol-2-yl)propyl-[6-[3-(1,3-dioxobenzo[f]isoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;bromide",NA,"C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O)CCCN4C(=O)C5=CC6=CC=CC=C6C=C5C4=O.[Br-]","PTSPHSCTAHZSMP-UHFFFAOYSA-M",405249,NA,"PDBC19087","722362","Present",NA,NA
+"19088","3-(1,3-Dioxobenzo[f]isoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dioxobenzo[f]isoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;bromide",NA,"C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC3=CC=CC=C3C=C2C1=O)CCCN4C(=O)C5=CC=CC=C5C4=O.[Br-]","HXSVGNYKKWPNKS-UHFFFAOYSA-M",405253,NA,"PDBC19088","722364","Present",NA,NA
+"19089","3-(1,3-Dioxobutyl)oxazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dioxobutyl)oxazolidin-2-one",NA,"CC(=O)CC(=O)N1CCOC1=O","GDGGLKMFUADUEH-UHFFFAOYSA-N",379157,NA,"PDBC19089","663571","Present",NA,NA
+"19090","3-(1,3-Dioxolan-2-yl)-2-pyridinecarbaldehyde O-benzyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dioxolan-2-yl)-2-pyridinecarbaldehyde O-benzyloxime",NA,"C1COC(O1)C2=C(N=CC=C2)C=NOCC3=CC=CC=C3","LLFWRPKMXCBPGE-WOJGMQOQSA-N",9555871,NA,"PDBC19090","644870","Present",NA,NA
+"19091","3-(1,3-Dioxolan-2-yl)-2-pyridinecarbaldehyde oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,3-Dioxolan-2-yl)-2-pyridinecarbaldehyde oxime",NA,"C1COC(O1)C2=C(N=CC=C2)C=NO","ABUPZXMWHMPKOA-IZZDOVSWSA-N",135499209,NA,"PDBC19091","644869","Present",NA,NA
+"19092","3-(1,3-Oxazol-5-yl)propan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxazolepropanol",NA,"C1=C(OC=N1)CCCO","LQWMUZPSOMBRRG-UHFFFAOYSA-N",358997,NA,"PDBC19092","619209","Present",NA,NA
+"19093","3-(1,4-Benzodioxin-2-yl)-4H-1,4-benzoxazine-4-carboxylic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3-(1,4-benzodioxin-2-yl)-4h-1,4-benzoxazine-4-carboxylate",NA,"CC(C)(C)OC(=O)N1C2=CC=CC=C2OC=C1C3=COC4=CC=CC=C4O3","ZYEQQXPVBVLSCZ-UHFFFAOYSA-N",402896,NA,"PDBC19093","717213","Present",NA,NA
+"19094","3-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(S(=O)(=O)CC3=O)C4=CC(=CC=C4)OC5=CC=CC=C5","ARDRUFYZKSGRPW-UHFFFAOYSA-N",402963,NA,"PDBC19094","717371","Present",NA,NA
+"19095","3-(1,5-Diphenylpyrazol-3-yl)-1,5-diphenylpyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C30H22N4",NA,"C1=CC=C(C=C1)C2=CC(=NN2C3=CC=CC=C3)C4=NN(C(=C4)C5=CC=CC=C5)C6=CC=CC=C6","FKQHQXPHXKOCFM-UHFFFAOYSA-N",388122,NA,"PDBC19095","682587","Present",NA,NA
+"19096","3-(1,5-Oxazocan-5-yl)-3-oxopropanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,5-Oxazocan-5-yl)-3-oxopropanenitrile",NA,"C1CN(CCCOC1)C(=O)CC#N","RKQRONUUYACSDX-UHFFFAOYSA-N",366789,NA,"PDBC19096","635562","Present",NA,NA
+"19097","3-(1,7-Dimethyl-2-oxobicyclo[2.2.1]hept-7-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1,7-Dimethyl-2-oxobicyclo[2.2.1]hept-7-yl)propanamide",NA,"CC12CCC(C1(C)CCC(=O)N)CC2=O","DWICYZHZJVAJOC-UHFFFAOYSA-N",388758,NA,"PDBC19097","683836","Present",NA,NA
+"19098","3-(1-((2-(Bis(2-((1-(6-methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)ethyl)amino)ethyl)amino)ethyl)amino)ethylidene)-6-methyl-2H-pyran-2,4(3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-[2-[Bis[2-[1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]ethyl]amino]ethyl]-C-methylcarbonimidoyl]-4-hydroxy-6-methylpyran-2-one",NA,"CC1=CC(=C(C(=O)O1)C(=NCCN(CCN=C(C)C2=C(C=C(OC2=O)C)O)CCN=C(C)C3=C(C=C(OC3=O)C)O)C)O","PKIHKYCXKMIZFB-UHFFFAOYSA-N",135409138,NA,"PDBC19098","658994","Present",NA,NA
+"19099","3-(1-((Diethylamino)methyl)vinyl)-3-phenyl-2-oxaspiro[4.4]nonan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-((Diethylamino)methyl)vinyl)-3-phenyl-2-oxaspiro[4.4]nonan-1-one",NA,"CCN(CC)CC(=C)C1(CC2(CCCC2)C(=O)O1)C3=CC=CC=C3","GAHVIFHJGZDKLS-UHFFFAOYSA-N",380242,NA,"PDBC19099","665721","Present",NA,NA
+"19100","3-(1-((Dimethylamino)methyl)vinyl)-3-phenyl-2-oxaspiro[4.4]nonan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-((Dimethylamino)methyl)vinyl)-3-phenyl-2-oxaspiro[4.4]nonan-1-one",NA,"CN(C)CC(=C)C1(CC2(CCCC2)C(=O)O1)C3=CC=CC=C3","XHYMRNJDAMIDQE-UHFFFAOYSA-N",380252,NA,"PDBC19100","665732","Present",NA,NA
+"19101","3-(1-(2,4-Bis(hydroxy(oxido)amino)phenyl)-3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazol-5-yl)-N-(2-(hydroxy(oxido)amino)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(2,4-Dinitrophenyl)-5-(4-hydroxy-3-methoxyphenyl)pyrazol-3-yl]-N-(2-nitrophenyl)propanamide",NA,"COC1=C(C=CC(=C1)C2=NN(C(=C2)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-])C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])O","YCAYOHUUPHXTMH-UHFFFAOYSA-N",364861,NA,"PDBC19101","631674","Present",NA,NA
+"19102","3-(1-(2,4-Bis(hydroxy(oxido)amino)phenyl)-5-(2-furyl)-1H-pyrazol-3-yl)-N-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-(2,4-Bis(hydroxy(oxido)amino)phenyl)-5-(2-furyl)-1H-pyrazol-3-yl)-N-phenylpropanamide",NA,"C1=CC=C(C=C1)NC(=O)CCC2=NN(C(=C2)C3=CC=CO3)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","XKFYPELUQORZIP-UHFFFAOYSA-N",364294,NA,"PDBC19102","630312","Present",NA,NA
+"19103","3-(1-(Methoxycarbonyl)-5,6,7,8-tetrahydro-2-naphthalenyl)-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Methoxycarbonyltetralin-6-yl)methyl]-3-tetralin-6-yl-propanoic acid",NA,"COC(=O)C1=C(C=CC2=C1CCCC2)CC(CC3=CC4=C(CCCC4)C=C3)C(=O)O","FHZMLZLDKUHDSZ-UHFFFAOYSA-N",385654,NA,"PDBC19103","677000","Present",NA,NA
+"19104","3-(1-Acetoxy-2,2-dicyano-vinyl)pyrazine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Acetoxy-2,2-dicyano-vinyl)pyrazine-2-carboxylic acid",NA,"CC(=O)OC(=C(C#N)C#N)C1=NC=CN=C1C(=O)O","IEBFIQPZCYVYQF-UHFFFAOYSA-N",389468,NA,"PDBC19104","685677","Present",NA,NA
+"19105","3-(1-Acetyl-1H-indol-3-yl)-2-(dimethoxyphosphoryl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Acetyl-1H-indol-3-yl)-2-(dimethoxyphosphoryl)propanoic acid",NA,"CC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)O)P(=O)(OC)OC","YFNHPYZYAIMGFD-UHFFFAOYSA-N",382171,NA,"PDBC19105","669630","Present",NA,NA
+"19106","3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanamide",NA,"CC(C1=CC=CC=C1)NC(CC23CC4CC(C2)CC(C4)C3)C(=O)N","QPOBRHWTGGAIQD-UHFFFAOYSA-N",382214,NA,"PDBC19106","669672","Present",NA,NA
+"19107","3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Adamantyl)-2-((1-phenylethyl)amino)propanenitrile",NA,"CC(C1=CC=CC=C1)NC(CC23CC4CC(C2)CC(C4)C3)C#N","ZFTNCQDAADYNFW-UHFFFAOYSA-N",382213,NA,"PDBC19107","669671","Present",NA,NA
+"19108","3-(1-Adamantyl)-2-aminopropanamide;sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669673",NA,"C1C2CC3CC1CC(C2)(C3)CC(C(=O)N)N.OS(=O)(=O)O","PIVFDGDWQMUYAP-UHFFFAOYSA-N",382215,NA,"PDBC19108","669673","Present",NA,NA
+"19109","3-(1-Adamantyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Adamantyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione",NA,"C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4C5=CC=C(C=C5)Cl","IGAXOKSDONAODE-UHFFFAOYSA-N",3004972,NA,"PDBC19109","665951","Present",NA,NA
+"19110","3-(1-Adamantyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Adamantyl)-4-methyl-5-[(4-nitrophenyl)methylsulfanyl]-1,2,4-triazole",NA,"CN1C(=NN=C1SCC2=CC=C(C=C2)[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4","IMNKJHBJYZCQPB-UHFFFAOYSA-N",379483,NA,"PDBC19110","664146","Present",NA,NA
+"19111","3-(1-Adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Adamantyl)-5-[(4-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole",NA,"CN1C(=NN=C1SCC2=CC=C(C=C2)F)C34CC5CC(C3)CC(C5)C4","SOTOLHCANNLUAD-UHFFFAOYSA-N",380430,NA,"PDBC19111","665953","Present",NA,NA
+"19112","3-(1-Adamantyl)-6-(2-chloro-4-nitro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Adamantyl)-6-(2-chloro-4-nitro-phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C6=C(C=C(C=C6)[N+](=O)[O-])Cl","VYXVFKYNZFJYKO-UHFFFAOYSA-N",380433,NA,"PDBC19112","665956","Present",NA,NA
+"19113","3-(1-Adamantylamino)-1-phenylpropane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Adamantylamino)-1-phenylpropane",NA,"C1C2CC3CC1CC(C2)(C3)NCCC(=O)C4=CC=CC=C4","UHONZWXJELFMEX-UHFFFAOYSA-N",363844,NA,"PDBC19113","629109","Present",NA,NA
+"19114","3-(1-Adamantylamino)-1-phenylpropanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Adamantylamino)-1-phenylpropanol",NA,"C1C2CC3CC1CC(C2)(C3)NCCC(C4=CC=CC=C4)O","XXBRJGCJCMOIFO-UHFFFAOYSA-N",363845,NA,"PDBC19114","629110","Present",NA,NA
+"19115","3-(1-Adamantylamino)-2-hydroxy-5H-chromeno[3,4-b]pyrazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Adamantylamino)-2-hydroxy-5H-chromeno[3,4-b]pyrazin-5-one",NA,"C1C2CC3CC1CC(C2)(C3)NC4=NC5=C(C6=CC=CC=C6OC5=O)NC4=O","LCRTYFSWUXCOCY-UHFFFAOYSA-N",374858,NA,"PDBC19115","653318","Present",NA,NA
+"19116","3-(1-Anilinoethylidene)-5-benzylpyrrolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TN 16",NA,"CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC=CC=C3)O","IHXKJZIDPGITHW-UHFFFAOYSA-N",135427136,NA,"PDBC19116","100445","Present",NA,NA
+"19117","3-(1-Aza-2-phenylvinyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-aza-2-phenylvinyl)-6-iodo-2-(2-thienyl)-3H-quinazol...",NA,"C1=CC=C(C=C1)C=NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4","NGQLVJFUGVELDC-CIAFOILYSA-N",9572590,NA,"PDBC19117","721279","Present",NA,NA
+"19118","3-(1-Azocanyl)-3-oxopropanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Azocanyl)-3-oxopropanenitrile",NA,"C1CCCN(CCC1)C(=O)CC#N","HZCRGFDFWGXXQR-UHFFFAOYSA-N",366787,NA,"PDBC19118","635560","Present",NA,NA
+"19119","3-(1-Benzyl-2-methylbenzimidazol-5-yl)-2-(4-fluorophenyl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Benzyl-2-methyl-1H-benzoimidazol-5-yl)-2-(4-fluoro-...",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)N4C(=NC5=CC=CC=C5C4=O)C6=CC=C(C=C6)F","UBXQSLKWRYFXKT-UHFFFAOYSA-N",155816918,NA,"PDBC19119","787832","Present",NA,NA
+"19120","3-(1-Benzylindol-3-yl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Benzylindol-3-yl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C4=[N+](C5=CC=CC=C5[N+](=C4N)[O-])[O-]","AVWGGPROOXZZKC-UHFFFAOYSA-N",135484712,NA,"PDBC19120","621717","Present",NA,NA
+"19121","3-(1-Methyl-1H-indol-3-yl)-4-[[6,7,8,9-tetrahydro-12-methyl-7beta,8alpha-(methaniminomethano)pyrido[1,2-a]indol]-10-yl]-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767276///NSC767289",NA,"CN1CC2CC3=C(C4=CC=CC=C4N3CC2C1)C5=C(C(=O)NC5=O)C6=CN(C7=CC=CC=C76)C","SAYMBMAHSBYKKR-DLBZAZTESA-N",44274749,NA,"PDBC19121","767276///767289","Present",NA,NA
+"19122","3-(1-Oxidopyridin-1-ium-4-yl)-2-oxo-N-(2,4,5-trichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Oxidopyridin-1-ium-4-yl)-2-oxo-N-(2,4,5-trichlorophenyl)propanamide",NA,"C1=C[N+](=CC=C1CC(=O)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)[O-]","MMDKSFKKIQLTSI-UHFFFAOYSA-N",371846,NA,"PDBC19122","646365","Present",NA,NA
+"19123","3-(1-Oxidopyridin-1-ium-4-yl)-2-oxo-N-(p-tolyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Oxidopyridin-1-ium-4-yl)-2-oxo-N-(p-tolyl)propanamide",NA,"CC1=CC=C(C=C1)NC(=O)C(=O)CC2=CC=[N+](C=C2)[O-]","VHBAZVJBGGEPQK-UHFFFAOYSA-N",371840,NA,"PDBC19123","646358","Present",NA,NA
+"19124","3-(1-Oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)-2-benzofuran-1(3H)-one",NA,"C1CC2=CC3=C(C=C2C1)C(=O)C(C3)C4C5=CC=CC=C5C(=O)O4","LOZFWKHORUZFAE-UHFFFAOYSA-N",382683,NA,"PDBC19124","670331","Present",NA,NA
+"19125","3-(1-Oxo-1,2,3,6,7,8-hexahydro-as-indacen-2-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Oxo-1,2,3,6,7,8-hexahydro-as-indacen-2-yl)-2-benzofuran-1(3H)-one",NA,"C1CC2=C(C1)C3=C(CC(C3=O)C4C5=CC=CC=C5C(=O)O4)C=C2","AMJPNPLLTGFUIC-UHFFFAOYSA-N",385675,NA,"PDBC19125","677021","Present",NA,NA
+"19126","3-(1-Oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-2-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-2-yl)-2-benzofuran-1(3H)-one",NA,"C1CCC2=C(C1)C=CC3=C2C(=O)C(C3)C4C5=CC=CC=C5C(=O)O4","AKBGLPRWJDGEQF-UHFFFAOYSA-N",382684,NA,"PDBC19126","670332","Present",NA,NA
+"19127","3-(1-Oxo-2,3-dihydro-1H-cyclopenta[a]naphthalen-2-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Oxo-2,3-dihydro-1H-cyclopenta[a]naphthalen-2-yl)-2-benzofuran-1(3H)-one",NA,"C1C(C(=O)C2=C1C=CC3=CC=CC=C32)C4C5=CC=CC=C5C(=O)O4","YRXLZWFGILAHIR-UHFFFAOYSA-N",393830,NA,"PDBC19127","696651","Present",NA,NA
+"19128","3-(1-Oxo-2-indanyl)-phthalid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Oxo-2-indanyl)-phthalid",NA,"C1C(C(=O)C2=CC=CC=C21)C3C4=CC=CC=C4C(=O)O3","ZWKQKSLGBZLXER-UHFFFAOYSA-N",385691,NA,"PDBC19128","677037","Present",NA,NA
+"19129","3-(1-Phenyl-4-pentenyloxy)-4-(4-chlorophenyl)thiazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-3-(1-phenylpent-4-enoxy)thiazole-2-thione",NA,"C=CCCC(C1=CC=CC=C1)ON2C(=CSC2=S)C3=CC=C(C=C3)Cl","KWTGPNZAKZACBM-UHFFFAOYSA-N",398021,NA,"PDBC19129","707094","Present",NA,NA
+"19130","3-(1-Piperidinylcarbothioyl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL421215",NA,"C1CCN(CC1)C(=S)C2=CNC3=CC=CC=C32","CENUPWPJGBFRJM-UHFFFAOYSA-N",391441,NA,"PDBC19130","690645","Present",NA,NA
+"19131","3-(1-Piperidinylmethyl)-5-(1,1,3,3-tetramethylbutyl)-1,2-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Piperidinylmethyl)-5-(1,1,3,3-tetramethylbutyl)-1,2-benzenediol",NA,"CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)O)O)CN2CCCCC2","RTSMCCDWYFYEBH-UHFFFAOYSA-N",223191,NA,"PDBC19131","10580","Present",NA,NA
+"19132","3-(1-Piperidinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Piperidinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone",NA,"C1CCN(CC1)CN2C(=O)C(=CC3=CC=CS3)NC2=S","FHXQLYZETHOSEY-XFXZXTDPSA-N",5469476,NA,"PDBC19132","688939","Present",NA,NA
+"19133","3-(1-adamantyl)-N,5-diphenyl-thiazolidin-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-adamantyl)-N,5-diphenyl-thiazolidin-2-imine",NA,"C1C2CC3CC1CC(C2)(C3)N4CC(SC4=NC5=CC=CC=C5)C6=CC=CC=C6","KHYPIIHHYPGAMH-UHFFFAOYSA-N",385323,NA,"PDBC19133","676440","Present",NA,NA
+"19134","3-(15-Diazenylidene)-2-oxopropyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzoyloxy)-1-diazonioprop-1-en-2-olate",NA,"C1=CC=C(C=C1)C(=O)OCC(=O)C=[N+]=[N-]","GMJMNKVTGUOZQW-UHFFFAOYSA-N",243773,NA,"PDBC19134","53935","Present",NA,NA
+"19135","3-(1H-Benzimidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-benzo[d]imidazol-2-yl)-1-(3,4,5-trimethoxyphenyl)-...",NA,"COC1=CC(=CC(=C1OC)OC)C2=C3C(=CC(=N2)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6N3","AHQIBKSTSOGTMK-UHFFFAOYSA-N",155811194,NA,"PDBC19135","765815","Present",NA,NA
+"19136","3-(1H-Benzimidazol-2-yl)-4-[2-(6-hydroxy-4,7-dimethoxy-benzofuran-5-yl)-2-oxo-ethyl]-2-imino-5-methoxy-8-methyl-3,4-dihydropyrano[3,2-g]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Benzimidazol-2-yl)-4-[2-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-2-oxoethyl]-2-imino-5-methoxy-8-methyl-3,4-dihydropyrano[3,2-g]chromen-6-one",NA,"CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(=N)C(C3CC(=O)C4=C(C5=C(C(=C4O)OC)OC=C5)OC)C6=NC7=CC=CC=C7N6)OC","RFQPFMXLAHEOKE-UHFFFAOYSA-N",394304,NA,"PDBC19136","697671","Present",NA,NA
+"19137","3-(1H-Benzimidazol-2-yl)-5-(4-chlorophenyl)-1,2-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Benzimidazol-2-yl)-5-(4-chlorophenyl)-1,2-oxazole",NA,"C1=CC=C2C(=C1)NC(=N2)C3=NOC(=C3)C4=CC=C(C=C4)Cl","VTIFIFSYELXOCM-UHFFFAOYSA-N",402404,NA,"PDBC19137","716335","Present",NA,NA
+"19138","3-(1H-Benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1,2-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Benzimidazol-2-yl)-5-(4-methylsulfanylphenyl)-1,2-oxazole",NA,"CSC1=CC=C(C=C1)C2=CC(=NO2)C3=NC4=CC=CC=C4N3","BFYBEALWSDNFBZ-UHFFFAOYSA-N",402405,NA,"PDBC19138","716336","Present",NA,NA
+"19139","3-(1H-Benzimidazol-2-yl)chromen-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK027543",NA,"C1=CC=C2C(=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4N3","FNEFMQFIPIXXNV-UHFFFAOYSA-N",389220,NA,"PDBC19139","684973","Present",NA,NA
+"19140","3-(1H-Benzimidazol-2-ylamino)isoindol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Benzimidazol-2-ylamino)isoindol-1-one",NA,"C1=CC2=C(NC(=C2C=C1)O)N=C3N=C4C=CC=CC4=N3","RCQLCKGWGZYBOL-UHFFFAOYSA-N",135452472,NA,"PDBC19140","305329","Present",NA,NA
+"19141","3-(1H-Benzimidazol-2-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Benzimidazol-2-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)CC2=NC3=CC=CC=C3N2","KRVRADXBNMEUPR-UHFFFAOYSA-N",386591,NA,"PDBC19141","679042","Present",NA,NA
+"19142","3-(1H-Benzimidazol-2-ylsulfanyl)propyl-trimethylazanium;bromide;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Benzimidazol-2-ylsulfanyl)propyl-trimethylazanium;bromide;hydrobromide",NA,"C[N+](C)(C)CCCSC1=NC2=CC=CC=C2N1.Br.[Br-]","HMKAYPYEPCCJTI-UHFFFAOYSA-M",5351691,NA,"PDBC19142","19480","Present",NA,NA
+"19143","3-(1H-Imidazol-1-yl)-2-(3-isopropoxyphenyl)-2H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Imidazol-1-yl)-2-(3-isopropoxyphenyl)-2H-pyrido[4,...",NA,"CC(C)OC1=CC=CC(=C1)N2C(=NC3=C(S2(=O)=O)C=NC=C3)N4C=CN=C4","HXCQMHBIQXCYLI-UHFFFAOYSA-N",399792,NA,"PDBC19143","710891","Present",NA,NA
+"19144","3-(1H-Imidazol-1-yl)propylcarbamodithioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Imidazol-1-yl)propylcarbamodithioic acid",NA,"C1=CN(C=N1)CCCNC(=S)S","LVVZDKOVBRQLRL-UHFFFAOYSA-N",3246650,NA,"PDBC19144","343548","Present",NA,NA
+"19145","3-(1H-Indazol-3-yl)-1,2,3-benzotriazin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Indazol-3-yl)-1,2,3-benzotriazin-4(3H)-one",NA,"C1=CC=C2C(=C1)C(=NN2)N3C(=O)C4=CC=CC=C4N=N3","FPXNETVLOBBUDU-UHFFFAOYSA-N",439037,NA,"PDBC19145","702051","Present",NA,NA
+"19146","3-(1H-Indazol-3-yl)-1-phenyl-2,5-pyrrolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Indazol-3-yl)-1-phenyl-2,5-pyrrolidinedione",NA,"C1C(C(=O)N(C1=O)C2=CC=CC=C2)C3=C4C=CC=CC4=NN3","MWUSCTNCQRDWKA-UHFFFAOYSA-N",363327,NA,"PDBC19146","628184","Present",NA,NA
+"19147","3-(1H-Indol-3-yl)-2-(2-methyl-2,3-dihydro-1H-25-isoindol-2-yl)-1-propanol benzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonate;3-(1H-indol-3-yl)-2-(2-methyl-1,3-dihydroisoindol-2-ium-2-yl)propan-1-ol",NA,"C[N+]1(CC2=CC=CC=C2C1)C(CC3=CNC4=CC=CC=C43)CO.C1=CC=C(C=C1)S(=O)(=O)[O-]","SITXDZZLKYHOOV-UHFFFAOYSA-M",5351675,NA,"PDBC19147","17387","Present",NA,NA
+"19148","3-(1H-Indol-3-yl)-4-(1-methylindol-3-yl)-1,2,5-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1H-indol-3-yl)-1,2,5-oxadiazol-3-yl]-1-methyl-1H-i...",NA,"CN1C=C(C2=CC=CC=C21)C3=NON=C3C4=CNC5=CC=CC=C54","BHOFGKPHNZTDTK-UHFFFAOYSA-N",155807824,NA,"PDBC19148","801548","Present",NA,NA
+"19149","3-(1H-Indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-6-oxo-4,5-dihydropyridazine-1-carboxamide",NA,"CC1=NNC(=O)C1C2CC(=NN(C2=O)C(=O)N)C3=CNC4=CC=CC=C43","RVALZZMAGHPCHB-UHFFFAOYSA-N",392032,NA,"PDBC19149","691831","Present",NA,NA
+"19150","3-(1H-Indol-3-yl)-N,N-dimethylpropan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Indol-3-yl)-N,N-dimethylpropan-1-amine",NA,"CN(C)CCCC1=CNC2=CC=CC=C21","QHNWPRMHGXRBAO-UHFFFAOYSA-N",52549,NA,"PDBC19150","88622","Present",NA,NA
+"19151","3-(1H-Indol-3-yl)-N-[[3-[[[3-(1H-indol-3-yl)-2-bicyclo[2.2.1]heptanyl]amino]methyl]phenyl]methyl]bicyclo[2.2.1]heptan-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC704562///NSC704563",NA,"C1CC2CC1C(C2NCC3=CC(=CC=C3)CNC4C5CCC(C5)C4C6=CNC7=CC=CC=C76)C8=CNC9=CC=CC=C98","OATQZSVTQGRNAZ-UHFFFAOYSA-N",397159,NA,"PDBC19151","704562///704563","Present",NA,NA
+"19152","3-(1H-Indol-3-yl)propanoic acid; molybdenum; nitridooxonium; tetrahydrofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Indol-3-yl)propanoic acid; molybdenum; nitridooxonium; tetrahydrofuran",NA,NA,NA,NA,NA,"PDBC19152","651799","Present",NA,NA
+"19153","3-(1H-Indol-3-yl)pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK996344",NA,"C1C(C(=O)NC1=O)C2=CNC3=CC=CC=C32","VNQNEQQYAIPCAQ-UHFFFAOYSA-N",363326,NA,"PDBC19153","628183","Present",NA,NA
+"19154","3-(1H-Indol-3-yl)quinoxalin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_003220",NA,"C1=CC=C2C(=C1)C(=CN2)C3=NC4=CC=CC=C4NC3=O","JBTOKKDMHISPBA-UHFFFAOYSA-N",400272,NA,"PDBC19154","711805","Present",NA,NA
+"19155","3-(1H-Indol-3-ylmethylsulfanyl)-4-phenylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(1h-Indol-3-ylmethyl)sulfanyl]-4-phenyl-4h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide",NA,"C1=CC=C(C=C1)N2C3=C(C=NC=C3)S(=O)(=O)N=C2SCC4=CNC5=CC=CC=C54","HAGXGKWEYKUALG-UHFFFAOYSA-N",401341,NA,"PDBC19155","714653","Present",NA,NA
+"19156","3-(1H-Pyrazolo[3,4-d]pyrimidin-4-ylamino)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Pyrazolo[3,4-d]pyrimidin-4-ylamino)propan-1-ol",NA,"C1=NNC2=C1C(=NC=N2)NCCCO","NVGYTYGABQMFNU-UHFFFAOYSA-N",237116,NA,"PDBC19156","40380","Present",NA,NA
+"19157","3-(1H-Pyrrol-1-yl)pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Pyrrol-1-yl)pentanedioic acid",NA,"C1=CN(C=C1)C(CC(=O)O)CC(=O)O","KHDDBIBKNPILFG-UHFFFAOYSA-N",274453,NA,"PDBC19157","120501","Present",NA,NA
+"19158","3-(2,2-Dimethoxyethyl)-1-methyl-3-[(E)-2-tri(propan-2-yl)silyloxyethenyl]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,2-Dimethoxyethyl)-1-methyl-3-[(E)-2-tri(propan-2-yl)silyloxyethenyl]indol-2-one",NA,"CC(C)[Si](C(C)C)(C(C)C)OC=CC1(C2=CC=CC=C2N(C1=O)C)CC(OC)OC","UZJLXBDQERCVQA-CCEZHUSRSA-N",5469953,NA,"PDBC19158","694685","Present",NA,NA
+"19159","3-(2,2-Dimethoxyethyl)-3-(1,1-dimethylallyl)-1-methyl-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,2-Dimethoxyethyl)-3-(1,1-dimethylallyl)-1-methyl-indolin-2-one",NA,"CC(C)(C=C)C1(C2=CC=CC=C2N(C1=O)C)CC(OC)OC","IUDLELOBSIMMTL-UHFFFAOYSA-N",393202,NA,"PDBC19159","694690","Present",NA,NA
+"19160","3-(2,2-Dimethoxyethyl)-3-[(E)-2-triisopropylsilyloxyvinyl]-1-(2-trimethylsilylethoxymethyl)indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,2-Dimethoxyethyl)-1-(2-trimethylsilylethoxymethyl)-3-[(E)-2-tri(propan-2-yl)silyloxyethenyl]indol-2-one",NA,"CC(C)[Si](C(C)C)(C(C)C)OC=CC1(C2=CC=CC=C2N(C1=O)COCC[Si](C)(C)C)CC(OC)OC","SYNCAQZFBVDRAD-WUKNDPDISA-N",5469954,NA,"PDBC19160","694687","Present",NA,NA
+"19161","3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]octan-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]octan-4-amine",NA,"CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)N)C","SHQAHGPRANRAGI-UHFFFAOYSA-N",344749,NA,"PDBC19161","401834","Present",NA,NA
+"19162","3-(2,2-Dimethylhydrazino)-7-methyl-1,1-dioxo-6H-pyrazolo[3,4-g][1,4,2]benzodithiazin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,2-Dimethylhydrazino)-7-methyl-1,1-dioxo-6H-pyrazolo[3,4-g][1,4,2]benzodithiazin-8-one",NA,"CN1C(=O)C2=CC3=C(C=C2N1)SC(=NS3(=O)=O)NN(C)C","QOWBVUBPYYINFM-UHFFFAOYSA-N",378503,NA,"PDBC19162","661103","Present",NA,NA
+"19163","3-(2,2-Dimethylpropanoyl)-2-sulfanylideneimidazolidine-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,2-Dimethylpropanoyl)-2-thioxo-imidazolidine-1-carbaldehyde",NA,"CC(C)(C)C(=O)N1CCN(C1=S)C=O","FZNYCIJKBKPCSY-UHFFFAOYSA-N",396746,NA,"PDBC19163","703456","Present",NA,NA
+"19164","3-(2,2-Dimethylpropyl)-2-methylbenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,2-Dimethylpropyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=NC2=C(N1CC(C)(C)C)C(=O)C3=CC=CC=C3C2=O","FGGSECKXGWFYMG-UHFFFAOYSA-N",374260,NA,"PDBC19164","651761","Present",NA,NA
+"19165","3-(2,2-Dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,2-Dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazolo[4,3-d]pyrimidine-5,7-diol",NA,"CC1(OC2COC(C2O1)C3=C4C(=NN3)C(=O)NC(=O)N4)C","FWAKSJVYBQFFSX-UHFFFAOYSA-N",282792,NA,"PDBC19165","136727","Present",NA,NA
+"19166","3-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)aniline",NA,"C1CC(C2=C(C1)C3=CC=CC=C3N2)C4=CC(=CC=C4)N","CLHXHSSUURERJR-UHFFFAOYSA-N",396625,NA,"PDBC19166","703124","Present",NA,NA
+"19167","3-(2,3,6-Trichlorophenoxy)-1,2-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,3,6-Trichlorophenoxy)-1,2-propanediol",NA,"C1=CC(=C(C(=C1Cl)OCC(CO)O)Cl)Cl","NGDXGOQYRKDYHW-UHFFFAOYSA-N",367042,NA,"PDBC19167","636370","Present",NA,NA
+"19168","3-(2,3-Dichloro-4,6-disulfamoylphenyl)-1,1-diphenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,3-Dichloro-4,6-disulfamoyl-phenyl)-1,1-diphenyl-urea",NA,"C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=C(C(=C(C=C3S(=O)(=O)N)S(=O)(=O)N)Cl)Cl","GHHTWAQXOJERPY-UHFFFAOYSA-N",396505,NA,"PDBC19168","702690","Present",NA,NA
+"19169","3-(2,3-Dichlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,3-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide",NA,"C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C(=CC=C4)Cl)Cl","XVVYVMROVFYEAG-UHFFFAOYSA-N",401418,NA,"PDBC19169","715070","Present",NA,NA
+"19170","3-(2,3-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,3-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C(=CC=C4)Cl)Cl","QTKLNROWACUSNV-UHFFFAOYSA-N",401409,NA,"PDBC19170","715061","Present",NA,NA
+"19171","3-(2,3-Dichlorophenyl)-2-phenylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(2,3-dichlorophenyl)-2-phenyl-prop-2-enenitrile",NA,"C1=CC=C(C=C1)C(=CC2=C(C(=CC=C2)Cl)Cl)C#N","CLPXUEQGKUISRF-UKTHLTGXSA-N",5388797,NA,"PDBC19171","638630","Present",NA,NA
+"19172","3-(2,3-Dihydro-1H-inden-5-YL)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,3-Dihydro-1H-inden-5-YL)-5-phenyl-4,5-dihydro-1H-pyrazole-1-carbothioamide",NA,"C1CC2=C(C1)C=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)C(=S)N","UOFGGXWLFXZHLA-UHFFFAOYSA-N",5472130,NA,"PDBC19172","716416","Present",NA,NA
+"19173","3-(2,3-Dihydro-1H-tetrazol-5-yl)-6-(2H-tetrazol-5-yl)-1,2,4,5-tetrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydro-3,6-bis(2H-tetrazole-5-yl)-1,2,4,5-tetrazine",NA,"C1(=NNNN1)C2=NN=C(N=N2)C3=NNN=N3","ORRMJBBFOFPMEC-UHFFFAOYSA-N",323197,NA,"PDBC19173","282058","Present",NA,NA
+"19174","3-(2,3-Dihydrobenzo[d]oxazol-2-yl)benzo thioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,3-dihydrobenzo[d]oxazol-2-yl)benzo thioamide",NA,"C1=CC=C2C(=C1)NC(O2)C3=CC(=CC=C3)C(=S)N","YCZUHAHNEGNBMW-UHFFFAOYSA-N",3374653,NA,"PDBC19174","298509","Present",NA,NA
+"19175","3-(2,3-Dihydroxypropoxy)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SQWRAXQBXAETRO-UHFFFAOYSA-N",NA,"C1=CC(=CC(=C1)OCC(CO)O)C(=O)N","SQWRAXQBXAETRO-UHFFFAOYSA-N",354107,NA,"PDBC19175","604583","Present",NA,NA
+"19176","3-(2,4,5-Trichlorophenoxy)-7-acetoxycoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4,5-Trichlorophenoxy)-7-acetoxycoumarin",NA,"CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC(=C(C=C3Cl)Cl)Cl","OOCSCCVHBIKUAO-UHFFFAOYSA-N",386366,NA,"PDBC19176","678250","Present",NA,NA
+"19177","3-(2,4,5-Trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4,5-Trichlorophenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC(=C(C=C3Cl)Cl)Cl","YPIQHLBCCJJTDJ-UHFFFAOYSA-N",396388,NA,"PDBC19177","702341","Present",NA,NA
+"19178","3-(2,4,6-Trichlorophenoxy)propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM5112232",NA,"C1=C(C=C(C(=C1Cl)OCC(CO)O)Cl)Cl","UEYYGXZIKYKIMT-UHFFFAOYSA-N",107371,NA,"PDBC19178","636793","Present",NA,NA
+"19179","3-(2,4,6-Trimethylphenyl)-4-(2-imidazolinyl)-5-(4-chloro phenyl)-isooxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4,6-Trimethylphenyl)-4-(2-imidazolinyl)-5-(4-chloro...",NA,"CC1=CC(=C(C(=C1)C)C2=NOC(=C2C3=NCCN3)C4=CC=C(C=C4)Cl)C","AZSGLIGOSOPVHC-UHFFFAOYSA-N",371108,NA,"PDBC19179","645055","Present",NA,NA
+"19180","3-(2,4,6-Trimethylphenyl)-4-(2-imidazolinyl)-5-(4-methoxyphenyl)-isooxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4,6-Trimethylphenyl)-4-(2-imidazolinyl)-5- (4-metho...",NA,"CC1=CC(=C(C(=C1)C)C2=NOC(=C2C3=NCCN3)C4=CC=C(C=C4)OC)C","MUMKLVMJOFONTR-UHFFFAOYSA-N",371106,NA,"PDBC19180","645053","Present",NA,NA
+"19181","3-(2,4-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde",NA,"C1CN(C(=S)N1C=O)C(=O)C2=C(C=C(C=C2)Cl)Cl","TZMXUZJMWWWEGL-UHFFFAOYSA-N",396749,NA,"PDBC19181","703459","Present",NA,NA
+"19182","3-(2,4-Dichlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dichlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]",NA,"CC1=CC=C(C=C1)NC(=O)OCC(COC2=C(C=C(C=C2)Cl)Cl)OC(=O)NC3=CC=C(C=C3)C","IOJQZVYRMKABDJ-UHFFFAOYSA-N",366921,NA,"PDBC19182","636085","Present",NA,NA
+"19183","3-(2,4-Dichlorophenyl)-1,2,3a,4,9-pentaaza-10-thiacyclopenta[b]fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-(2,4-Dichlorophenyl)-10-thia-8,12,13,15,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,8,11,13-heptaene",NA,"C1=CC=C2C(=C1)C3=NN4C(=NN=C4SC3=N2)C5=C(C=C(C=C5)Cl)Cl","SNXAMUIUHLBDBB-UHFFFAOYSA-N",401225,NA,"PDBC19183","714432","Present",NA,NA
+"19184","3-(2,4-Dichlorophenyl)-1,4-dioxido-quinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dichlorophenyl)-1,4-dioxido-quinoxaline-1,4-diium-2-amine",NA,"C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C3=C(C=C(C=C3)Cl)Cl)[O-]","ILPRDKLNDJOZGG-UHFFFAOYSA-N",135429938,NA,"PDBC19184","621722","Present",NA,NA
+"19185","3-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl","ZVOOSKBMTOEWQD-UHFFFAOYSA-N",375565,NA,"PDBC19185","655353","Present",NA,NA
+"19186","3-(2,4-Difluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Difluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(=S)S1)C2=C(C=C(C=C2)F)F","HGXZQOFMYBAQGU-UHFFFAOYSA-N",324725,NA,"PDBC19186","290974","Present",NA,NA
+"19187","3-(2,4-Dimethoxyanilino)-1-(1-oxidopyridin-1-ium-2-yl)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dimethoxyanilino)-1-(1-oxidopyridin-1-ium-2-yl)but-3-en-2-one",NA,"COC1=CC(=C(C=C1)NC(=C)C(=O)CC2=CC=CC=[N+]2[O-])OC","YRYWCNPSCMUYSI-UHFFFAOYSA-N",495244,NA,"PDBC19187","646355","Present",NA,NA
+"19188","3-(2,4-Dimethoxyphenyl)-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-dimethoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybenz...",NA,"CC1=CC2=C(C=C1)N=C(N(C2=O)C3=C(C=C(C=C3)OC)OC)SCC4=CC(=C(C(=C4)OC)OC)OC","QURBHNYJXRPMES-UHFFFAOYSA-N",134148830,NA,"PDBC19188","764230","Present",NA,NA
+"19189","3-(2,4-Dimethoxyphenyl)prop-2-ynoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dimethoxyphenyl)prop-2-ynoic acid",NA,"COC1=CC(=C(C=C1)C#CC(=O)O)OC","XNZOFKVGVSEHPS-UHFFFAOYSA-N",222999,NA,"PDBC19189","10135","Present",NA,NA
+"19190","3-(2,4-Dimethoxypyrimidin-5-yl)-1-(2-methoxyphenyl)prop-2-yn-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(2-methoxyphenyl)prop-2-yn-1-one",NA,"COC1=CC=CC=C1C(=O)C#CC2=CN=C(N=C2OC)OC","MDPIZXUYNPAJKS-UHFFFAOYSA-N",393735,NA,"PDBC19190","696254","Present",NA,NA
+"19191","3-(2,4-Dimethoxypyrimidin-5-yl)-1-(3-methoxyphenyl)prop-2-yn-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propyn-1-one, 3-(2,4-dimethoxy-5-pyrimidinyl)-1-(3-met...",NA,"COC1=CC=CC(=C1)C(=O)C#CC2=CN=C(N=C2OC)OC","CSSXOKRLYMCTNN-UHFFFAOYSA-N",393734,NA,"PDBC19191","696253","Present",NA,NA
+"19192","3-(2,4-Dimethoxypyrimidin-5-yl)-1-(4-methoxyphenyl)prop-2-yn-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dimethoxypyrimidin-5-yl)-1-(4-methoxyphenyl)prop-2-yn-1-one",NA,"COC1=CC=C(C=C1)C(=O)C#CC2=CN=C(N=C2OC)OC","RQXYHLSYVWOTKE-UHFFFAOYSA-N",393733,NA,"PDBC19192","696252","Present",NA,NA
+"19193","3-(2,4-Dimethylhexanoyl)-1,4-dihydroxypyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774818",NA,"CCC(C)CC(C)C(=O)C1=C(C=CN(C1=O)O)O","OXPNHQUKVWYPLJ-UHFFFAOYSA-N",155816185,NA,"PDBC19193","774818","Present",NA,NA
+"19194","3-(2,4-Dinitrobutyl)-2-methyl-5-nitro-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dinitrobutyl)-2-methyl-5-nitro-1H-indole",NA,"CC1=C(C2=C(N1)C=CC(=C2)[N+](=O)[O-])CC(CC[N+](=O)[O-])[N+](=O)[O-]","OVELHFYXOUIQDP-UHFFFAOYSA-N",370349,NA,"PDBC19194","643411","Present",NA,NA
+"19195","3-(2,4-Dinitrophenoxy)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dinitrophenoxy)pyridine",NA,"C1=CC(=CN=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","WSYSDMJVVVJKIH-UHFFFAOYSA-N",272938,NA,"PDBC19195","117739","Present",NA,NA
+"19196","3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N,N-diethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N,N-diethylpropanamide",NA,"CCN(CC)C(=O)CCN1C=CC(=O)NC1=O","OHNHSHIIFBUOCW-UHFFFAOYSA-N",376201,NA,"PDBC19196","656738","Present",NA,NA
+"19197","3-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N-(2-((3-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl)(methyl)amino)ethyl)-N-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dioxopyrimidin-1-yl)-N-[2-[3-(2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl]-N-methylpropanamide",NA,"CN(CCN(C)C(=O)CCN1C=CC(=O)NC1=O)C(=O)CCN2C=CC(=O)NC2=O","FHDOIRGZHAXKPY-UHFFFAOYSA-N",376203,NA,"PDBC19197","656740","Present",NA,NA
+"19198","3-(2,4-Dioxo-6-methyl-5-pyrimidinyl)acrylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK604248",NA,"CC1=C(C(=O)NC(=O)N1)C=CC(=O)O","MBCTXMUNGXCIBB-NSCUHMNNSA-N",743193,NA,"PDBC19198","163059","Present",NA,NA
+"19199","3-(2,5-Dichlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,5-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide",NA,"C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C=CC(=C4)Cl)Cl","RSOJONRTJMEGML-UHFFFAOYSA-N",401419,NA,"PDBC19199","715071","Present",NA,NA
+"19200","3-(2,5-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,5-Dichlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=C(C=CC(=C4)Cl)Cl","DTDTUSBHAUXNAR-UHFFFAOYSA-N",401410,NA,"PDBC19200","715062","Present",NA,NA
+"19201","3-(2,5-Dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,5-Dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one",NA,"COC1=CC(=C(C=C1)OC)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","VDNMXRGYASNGOL-UHFFFAOYSA-N",396390,NA,"PDBC19201","702343","Present",NA,NA
+"19202","3-(2,5-Dimethoxyphenyl)-3-(4-methoxyphenoxy)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,5-Dimethoxyphenyl)-3-(4-methoxyphenoxy)-2-benzofuran-1(3H)-one",NA,"COC1=CC=C(C=C1)OC2(C3=CC=CC=C3C(=O)O2)C4=C(C=CC(=C4)OC)OC","ZYODGRBMMMTNDX-UHFFFAOYSA-N",371542,NA,"PDBC19202","645871","Present",NA,NA
+"19203","3-(2,5-Dimethoxyphenylthio)-1,3-diphenylpropan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,5-Dimethoxy-phenylsulfanyl)-1,3-diphenyl-propan-1-one",NA,"COC1=CC(=C(C=C1)OC)SC(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3","KVYJJPYPYXJBQY-UHFFFAOYSA-N",406245,NA,"PDBC19203","724290","Present",NA,NA
+"19204","3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1-(4-methoxyphenyl)-4-oxo-2-azetidinecarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)-1-(4-methoxyphenyl)-4-oxo-2-azetidinecarbaldehyde",NA,"COC1=CC=C(C=C1)N2C(C(C2=O)N3C(=O)C=CC3=O)C=O","LIGPYBFRILLHOR-UHFFFAOYSA-N",374574,NA,"PDBC19204","652548","Present",NA,NA
+"19205","3-(2,5-Dioxo-4-phenylimidazolidin-4-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-94315",NA,"C1=CC=C(C=C1)C2(C(=O)NC(=O)N2)CCC(=O)O","RUWPCCQWDIAGAJ-UHFFFAOYSA-N",236331,NA,"PDBC19205","38743","Present",NA,NA
+"19206","3-(2,6-Diamino-5-(4-chlorophenyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,6-Diamino-5-(4-chlorophenyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,"C1=CC(=CC(=C1)NC(=O)CCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)C(F)(F)F","HMHZRYPJQYLWNP-UHFFFAOYSA-N",367732,NA,"PDBC19206","637671","Present",NA,NA
+"19207","3-(2,6-Dichlorophenyl)-2-(2-oxo-2-(4-pyridinyl)ethyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,6-Dichlorophenyl)-2-(2-oxo-2-(4-pyridinyl)ethyl)-4(3H)-quinazolinone",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)CC(=O)C3=CC=NC=C3)C4=C(C=CC=C4Cl)Cl","SXYLIYVWQMOACA-UHFFFAOYSA-N",365325,NA,"PDBC19207","632916","Present",NA,NA
+"19208","3-(2,6-Dichlorophenyl)-2-phenylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(2,6-dichlorophenyl)-2-phenyl-prop-2-enenitrile",NA,"C1=CC=C(C=C1)C(=CC2=C(C=CC=C2Cl)Cl)C#N","KJQCNVVCCLWWOT-FMIVXFBMSA-N",5388794,NA,"PDBC19208","638623","Present",NA,NA
+"19209","3-(2,6-Dichlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,6-Dichlorophenyl)-4-phenyl-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(C(=NC2=CC=CC=C2S1)C3=CC=CC=C3)C4=C(C=CC=C4Cl)Cl","WKIVNKVZPKISLV-UHFFFAOYSA-N",317088,NA,"PDBC19209","246406","Present",NA,NA
+"19210","3-(2,6-Dichlorophenyl)-4-thia-2,7,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,6-Dichlorophenyl)-4-thia-2,7,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),6,9,11-tetraene",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=CC=N3","XVUUYRULOQPAAT-UHFFFAOYSA-N",379707,NA,"PDBC19210","664682","Present",NA,NA
+"19211","3-(2,6-Dichlorophenyl)-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,6-Dichlorophenyl)-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"CC1=CC2=C(C=C1C)[N+](=C(C(=[N+]2[O-])C3=C(C=CC=C3Cl)Cl)N)[O-]","DZSPSYZNVFVKCC-UHFFFAOYSA-N",135498142,NA,"PDBC19211","621720","Present",NA,NA
+"19212","3-(2,6-Dichlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,6-Dichlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=C(C=CC=C3Cl)Cl)N)[O-]","DPPPLHBWXXMAJT-UHFFFAOYSA-N",135503388,NA,"PDBC19212","621718","Present",NA,NA
+"19213","3-(2,6-Dimethoxy-4-methylphenyl)acrylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,6-Dimethoxy-4-methylphenyl)acrylic acid",NA,"CC1=CC(=C(C(=C1)OC)C=CC(=O)O)OC","XCTXJHNBAGXPMI-SNAWJCMRSA-N",5351734,NA,"PDBC19213","29101","Present",NA,NA
+"19214","3-(2,6-Dimethoxybenzylidene)-4-methoxy-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,6-Dimethoxybenzylidene)-4-methoxy-2-benzofuran-1(3H)-one",NA,"COC1=C(C(=CC=C1)OC)C=C2C3=C(C=CC=C3OC)C(=O)O2","QWVIZGZSFKXYGN-YBEGLDIGSA-N",5468869,NA,"PDBC19214","678143","Present",NA,NA
+"19215","3-(2,6-Dimethylphenyl)-1-[3-[(2,6-dimethylphenyl)carbamoyl-ethyl-amino]propyl]-1-ethyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,6-Dimethylphenyl)-1-[3-[(2,6-dimethylphenyl)carbamoyl-ethyl-amino]propyl]-1-ethyl-urea",NA,"CCN(CCCN(CC)C(=O)NC1=C(C=CC=C1C)C)C(=O)NC2=C(C=CC=C2C)C","UTHCTHYEGLEUIM-UHFFFAOYSA-N",393257,NA,"PDBC19215","694884","Present",NA,NA
+"19216","3-(2,7-Dimethoxyacridin-9-yl)sulfanylpropan-1-amine;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,7-Dimethoxyacridin-9-yl)sulfanylpropan-1-amine;2,2,2-trifluoroacetic acid",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCN)OC.C(=O)(C(F)(F)F)O","KDSSDWUGOHMPLF-UHFFFAOYSA-N",54613582,NA,"PDBC19216","747887","Present",NA,NA
+"19217","3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-3-oxo-N-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-3-oxo-N-phenylpropanamide",NA,"C1=CC=C(C=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)SC4=CC=CC=C4","BLPOTYOCUHPVBJ-UHFFFAOYSA-N",377943,NA,"PDBC19217","659611","Present",NA,NA
+"19218","3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-N-(2-chlorophenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(2-chlorophenyl)-3-oxopropanamide",NA,"C1=CC=C(C=C1)SC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)NNC(=O)CC(=O)NC4=CC=CC=C4Cl","XXVOSMFYUWWEIL-UHFFFAOYSA-N",377942,NA,"PDBC19218","659610","Present",NA,NA
+"19219","3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-N-(2-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(2-methylphenyl)-3-oxopropanamide",NA,"CC1=CC=CC=C1NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)SC4=CC=CC=C4","QZOIWWKNCPHBQV-UHFFFAOYSA-N",377941,NA,"PDBC19219","659609","Present",NA,NA
+"19220","3-(2-((5-((4-Bromophenyl)diazenyl)-2-hydroxyphenyl)(phenylthio)methyl)hydrazino)-N-(4-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[[5-[(4-Bromophenyl)diazenyl]-2-hydroxyphenyl]-phenylsulfanylmethyl]hydrazinyl]-N-(4-methoxyphenyl)-3-oxopropanamide",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)NNC(C2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O)SC4=CC=CC=C4","FCUNZOSZRXWDAF-UHFFFAOYSA-N",377944,NA,"PDBC19220","659612","Present",NA,NA
+"19221","3-(2-((Aminocarbonyl)hydrazono)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-((Aminocarbonyl)hydrazono)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one",NA,"COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)C(=NNC(=O)N)C4=CC=C(C=C4)OC","FCULCYWBAAIFKT-VYIQYICTSA-N",5896977,NA,"PDBC19221","641615","Present",NA,NA
+"19222","3-(2-((Dibutylamino)methyl)-3-oxo-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-((Dibutylamino)methyl)-3-oxo-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one",NA,"CCCCN(CCCC)CC(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)C","SGJLLIYCHAVIGF-UHFFFAOYSA-N",54695452,NA,"PDBC19222","647266","Present",NA,NA
+"19223","3-(2-((Dimethylamino)methyl)-3-(methylhydrazono)-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-((Dimethylamino)methyl)-3-(methylhydrazono)-1-phenylbutyl)-4-hydroxy-2H-chromen-2-one",NA,"CC(=NNC)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O","YCBFGMOJGGMQJD-MFKUBSTISA-N",54712266,NA,"PDBC19223","647589","Present",NA,NA
+"19224","3-(2-(1,7-Octadiynyl)cyclopentyl)-1H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(1,7-Octadiynyl)cyclopentyl)-1H-inden-1-one",NA,"C#CCCCCC#CC1CCCC1C2=CC(=O)C3=CC=CC=C32","WTQJHBGXIKXKEU-UHFFFAOYSA-N",373286,NA,"PDBC19224","649435","Present",NA,NA
+"19225","3-(2-(1-Pyrrolidinyl)ethyl)pyrido[2,3-d]pyrimidin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(1-Pyrrolidinyl)ethyl)pyrido[2,3-d]pyrimidin-4(3H)-one",NA,"C1CCN(C1)CCN2C=NC3=C(C2=O)C=CC=N3","QURLBUYIHWGEKG-UHFFFAOYSA-N",360821,NA,"PDBC19225","623238","Present",NA,NA
+"19226","3-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid",NA,"CN1C2=CC=CC=C2C(=NNC3=CC=CC(=C3)C(=O)O)C4=CC=CC=C41","TVCIJDBKELBLJP-UHFFFAOYSA-N",385772,NA,"PDBC19226","677166","Present",NA,NA
+"19227","3-(2-(1H-Benzimidazol-2-yl)ethyl)-3-phenyl-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(1H-Benzimidazol-2-yl)ethyl)-3-phenyl-2,6-piperidinedione",NA,"C1CC(C(=O)NC1=O)(CCC2=NC3=CC=CC=C3N2)C4=CC=CC=C4","OHTDGHYHQJUUAZ-UHFFFAOYSA-N",226670,NA,"PDBC19227","17354","Present",NA,NA
+"19228","3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(2,4-Dimethylphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone",NA,"CC1=CC(=C(C=C1)C(=CC2=NC3=CC=CC=C3NC2=O)O)C","XMELYNFWRGFLLX-YVLHZVERSA-N",135403092,NA,"PDBC19228","682571","Present",NA,NA
+"19229","3-(2-(2-((5-(4-((2-Cyanoethyl)(phenylsulfonyl)amino)phenyl)-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)hydrazino)-3-oxo-N-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[2-[[5-[4-[Benzenesulfonyl(2-cyanoethyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]hydrazinyl]-3-oxo-N-phenylpropanamide",NA,"C1=CC=C(C=C1)NC(=O)CC(=O)NNCC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)N(CCC#N)S(=O)(=O)C4=CC=CC=C4","LFPIKTANKZBJNG-UHFFFAOYSA-N",369381,NA,"PDBC19229","641143","Present",NA,NA
+"19230","3-(2-(2-Azabicyclo[2.2.2]oct-5-en-2-yl)ethyl)indoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(2-Azabicyclo[2.2.2]oct-5-en-2-yl)ethyl)indoline",NA,"C1CC2C=CC1CN2CCC3CNC4=CC=CC=C34","ABDIAESJRMPKBI-UHFFFAOYSA-N",363549,NA,"PDBC19230","628513","Present",NA,NA
+"19231","3-(2-(2-Hydroxyphenyl)-1,3-dithian-2-yl)-4-isopropoxy-3-cyclobutene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(2-Hydroxyphenyl)-1,3-dithian-2-yl)-4-isopropoxy-3-cyclobutene-1,2-dione",NA,"CC(C)OC1=C(C(=O)C1=O)C2(SCCCS2)C3=CC=CC=C3O","ULSMOUWZUAOCDB-UHFFFAOYSA-N",394553,NA,"PDBC19231","698098","Present",NA,NA
+"19232","3-(2-(2-Hydroxyphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(2-Hydroxyphenyl)-2-oxoethylidene)-3,4-dihydro-2(1H)-quinoxalinone",NA,"C1=CC=C(C(=C1)C(=CC2=NC3=CC=CC=C3NC2=O)O)O","VQTFNSXPXNFRJC-DHDCSXOGSA-N",135451652,NA,"PDBC19232","636329","Present",NA,NA
+"19233","3-(2-(3,4-Dichlorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(3,4-Dichlorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC(=C(C=C3)Cl)Cl)O","LJFGOYPERGLSMQ-UHFFFAOYSA-N",360294,NA,"PDBC19233","622329","Present",NA,NA
+"19234","3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-oxoethyl)-2,5-pyrrolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(3,5-Dimethyl-2-oxocyclohexyl)-2-oxoethyl)-2,5-pyrrolidinedione",NA,"CC1CC(C(=O)C(C1)C(=O)CC2CC(=O)NC2=O)C","MYMAAUCVFMURGW-UHFFFAOYSA-N",359836,NA,"PDBC19234","621403","Present",NA,NA
+"19235","3-(2-(3-((4-Methylphenyl)thio)-1-butenyl)hydrazino)-5,6-diphenyl-2,5-dihydro-1,2,4-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(3-((4-Methylphenyl)thio)-1-butenyl)hydrazino)-5,6-diphenyl-2,5-dihydro-1,2,4-triazine",NA,"CC1=CC=C(C=C1)SC(C)C=CNNC2=NC(C(=NN2)C3=CC=CC=C3)C4=CC=CC=C4","XVFLOSRILJBFTA-ISLYRVAYSA-N",6081322,NA,"PDBC19235","640640","Present",NA,NA
+"19236","3-(2-(4-((2-Cyanoethyl)(phenylsulfonyl)amino)benzylidene)hydrazino)-N-(2-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-[4-[Benzenesulfonyl(2-cyanoethyl)amino]phenyl]methylideneamino]-N-(2-methoxyphenyl)propanediamide",NA,"COC1=CC=CC=C1NC(=O)CC(=O)NN=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","FXSUCKIVRVZBNL-TURZUDJPSA-N",9555829,NA,"PDBC19236","638222","Present",NA,NA
+"19237","3-(2-(4-((2-Cyanoethyl)(phenylsulfonyl)amino)benzylidene)hydrazino)-N-(4-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-[4-[Benzenesulfonyl(2-cyanoethyl)amino]phenyl]methylideneamino]-N-(4-methoxyphenyl)propanediamide",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","UNEBXIWNOZEPTE-TURZUDJPSA-N",9555830,NA,"PDBC19237","638223","Present",NA,NA
+"19238","3-(2-(4-(Dimethylamino)phenyl)vinyl)-8-imino-2-methyl-8H-pyrimido[1,2-b][1,2,4]triazin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-2-(4-Dimethylaminophenyl)vinyl]-8-imino-2-methyl-pyrimido[1,2-b][1,2,4]triazin-6-ol",NA,"CC1=NN2C(=CC(=O)N=C2N=C1C=CC3=CC=C(C=C3)N(C)C)N","BUORVILUBVWBNM-RMKNXTFCSA-N",5918268,NA,"PDBC19238","698030","Present",NA,NA
+"19239","3-(2-(4-Bromophenyl)-2-oxoethyl)-5,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(4-Bromophenyl)-2-oxoethyl)-5,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,"C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)Br","KHLUKLUGLSYVRU-UHFFFAOYSA-N",366696,NA,"PDBC19239","635413","Present",NA,NA
+"19240","3-(2-(4-Bromophenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(4-Bromophenyl)-2-oxoethyl)-5-chloro-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,"CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)Br)O)Cl","CIMUGHIYCUFSOP-UHFFFAOYSA-N",366621,NA,"PDBC19240","635296","Present",NA,NA
+"19241","3-(2-(4-Chlorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(4-Chlorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one",NA,"CN1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C=CC4=CC=C(C=C4)Cl","ZEODZWIPMTXALN-FMIVXFBMSA-N",5916716,NA,"PDBC19241","633111","Present",NA,NA
+"19242","3-(2-(4-Fluorophenyl)-1,3-dithian-2-yl)-4-methoxy-3-cyclobutene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-Fluorophenyl)-1,3-dithian-2-yl]-4-methoxycyclobut-3-ene-1,2-dione",NA,"COC1=C(C(=O)C1=O)C2(SCCCS2)C3=CC=C(C=C3)F","ZIOQOKOXTBQQER-UHFFFAOYSA-N",389278,NA,"PDBC19242","685031","Present",NA,NA
+"19243","3-(2-(4-Fluorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(4-Fluorophenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one",NA,"CN1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C=CC4=CC=C(C=C4)F","YOXOBFDMQQBELS-FMIVXFBMSA-N",6306698,NA,"PDBC19243","633112","Present",NA,NA
+"19244","3-(2-(4-Methoxyphenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(4-Methoxyphenyl)vinyl)-6-methyl-4-phenylisoxazolo[3,4-d]pyridazin-7(6H)-one",NA,"CN1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C=CC4=CC=C(C=C4)OC","GTSVFMWPDPBRAW-JLHYYAGUSA-N",5916097,NA,"PDBC19244","633110","Present",NA,NA
+"19245","3-(2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino)-1-phenyl-2-propenyl 2-methylphenyl sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)-2-[(E)-3-(2-methylphenyl)sulfanyl-3-phenylprop-1-enyl]hydrazine",NA,"CC1=CC=CC=C1SC(C=CNNC2=NC(C(=NN2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","GUTPNHLGSTVLGX-QURGRASLSA-N",5916893,NA,"PDBC19245","640630","Present",NA,NA
+"19246","3-(2-(5-((4-Bromophenyl)diazenyl)-2-hydroxybenzylidene)hydrazino)-3-oxo-N-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(5-((4-Bromophenyl)diazenyl)-2-hydroxybenzylidene)hydrazino)-3-oxo-N-phenylpropanamide",NA,"C1=CC=C(C=C1)NC(=O)CC(=O)NN=CC2=C(C=CC(=C2)N=NC3=CC=C(C=C3)Br)O","HTRFOVNXRDBPGG-KYITUFADSA-N",135499416,NA,"PDBC19246","659607","Present",NA,NA
+"19247","3-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=C(C=CC(=C4)Br)O","XGSHANLWPNTAHV-UHFFFAOYSA-N",373572,NA,"PDBC19247","650025","Present",NA,NA
+"19248","3-(2-(6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl)ethylidene)dihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[2-[6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]oxolan-2-one",NA,"CC12CCC(C(C1CCC(=C)C2CC=C3CCOC3=O)(C)CO)O","VFAUHRWHZPEKBY-RZNTYIFUSA-N",6373011,NA,"PDBC19248","629154","Present",NA,NA
+"19249","3-(2-(6-Methoxy-2-naphthyl)propanoyl)-1,3-oxazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(6-Methoxy-2-naphthyl)propanoyl)-1,3-oxazolidin-2-one",NA,"CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N3CCOC3=O","OACROPGSIVPCNY-UHFFFAOYSA-N",376264,NA,"PDBC19249","656970","Present",NA,NA
+"19250","3-(2-(6-Methoxy-2-naphthyl)propanoyl)-4,4-dimethyl-1,3-oxazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(6-Methoxy-2-naphthyl)propanoyl)-4,4-dimethyl-1,3-oxazolidin-2-one",NA,"CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)N3C(=O)OCC3(C)C","NCBSMHADHFPMPI-UHFFFAOYSA-N",376266,NA,"PDBC19250","656972","Present",NA,NA
+"19251","3-(2-(Aminocarbothioyl)hydrazino)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(Aminocarbothioyl)hydrazino)-N-(2-ethyl-6-methylphenyl)-3-oxopropanamide",NA,"CCC1=CC=CC(=C1NC(=O)CC(=O)NNC(=S)N)C","HDAFWLKNPTUONG-UHFFFAOYSA-N",3004179,NA,"PDBC19251","635304","Present",NA,NA
+"19252","3-(2-(Butoxymethoxy)phenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepine 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(Butoxymethoxy)phenyl)-3,4-dihydro-2H-1,5,3-benzodioxaphosphepine 3-oxide",NA,"CCCCOCOC1=CC=CC=C1P2(=O)COC3=CC=CC=C3OC2","JZHUSDHKYQXIRX-UHFFFAOYSA-N",376828,NA,"PDBC19252","657946","Present",NA,NA
+"19253","3-(2-(Cyanoamino)-6-(4-hydroxy-3-methoxyphenyl)-4-pyrimidinyl)-N-(4-methoxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(Cyanoamino)-6-(4-hydroxy-3-methoxyphenyl)-4-pyrimidinyl)-N-(4-methoxyphenyl)propanamide",NA,"COC1=CC=C(C=C1)NC(=O)CCC2=CC(=NC(=N2)NC#N)C3=CC(=C(C=C3)O)OC","LNSRSHAEOBXAKX-UHFFFAOYSA-N",364871,NA,"PDBC19253","631683","Present",NA,NA
+"19254","3-(2-(Hydroxy(oxido)amino)-1H-imidazol-1-yl)-N-(2-(5-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)ethyl)-1-propanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Methyl-5-nitroimidazolyl)-ethyl]-3-(2-nitroimid-...",NA,"CC1=NC=C(N1CCNS(=O)(=O)CCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","JQQFWPOOSRRLTP-UHFFFAOYSA-N",375689,NA,"PDBC19254","655547","Present",NA,NA
+"19255","3-(2-(Hydroxy(oxido)amino)phenyl) 7-methyl 7-(4-(dimethylamino)-2-methoxyphenyl)-1,4,5,6,7,8-hexahydroazonino[5,4-b]indole-3,7(2H)-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-O-Methyl 3-O-(2-nitrophenyl) 7-[4-(dimethylamino)-2-methoxyphenyl]-1,2,4,5,6,8-hexahydroazonino[5,4-b]indole-3,7-dicarboxylate",NA,"CN(C)C1=CC(=C(C=C1)C2(CCCN(CCC3=C2NC4=CC=CC=C34)C(=O)OC5=CC=CC=C5[N+](=O)[O-])C(=O)OC)OC","QTPRLNBFMVXMKS-UHFFFAOYSA-N",386809,NA,"PDBC19255","679517","Present",NA,NA
+"19256","3-(2-(Hydroxyimino)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(Hydroxyimino)-1,2-bis(4-methoxyphenyl)ethyl)-1-benzofuran-2(3H)-one",NA,"COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)C(=NO)C4=CC=C(C=C4)OC","FBWAFBVOCIGTGV-BZZOAKBMSA-N",5929993,NA,"PDBC19256","641607","Present",NA,NA
+"19257","3-(2-(Hydroxymethyl)phenyl)-N-(2-phenylethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(Hydroxymethyl)phenyl)-N-(2-phenylethyl)propanamide",NA,"C1=CC=C(C=C1)CCNC(=O)CCC2=CC=CC=C2CO","UVAABVJVYGSGGW-UHFFFAOYSA-N",390005,NA,"PDBC19257","686928","Present",NA,NA
+"19258","3-(2-Allylbenzyl)-3-ethoxy-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Allylbenzyl)-3-ethoxy-2-benzofuran-1(3H)-one",NA,"CCOC1(C2=CC=CC=C2C(=O)O1)CC3=CC=CC=C3CC=C","PHYYDUBHPOXQAC-UHFFFAOYSA-N",373289,NA,"PDBC19258","649438","Present",NA,NA
+"19259","3-(2-Amino-5-(4-chlorophenyl)-6-methyl-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Amino-5-(4-chlorophenyl)-6-methyl-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,"CC1=C(C(=NC(=N1)N)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)Cl","QDCQXAIWXUJSDW-UHFFFAOYSA-N",362293,NA,"PDBC19259","625904","Present",NA,NA
+"19260","3-(2-Amino-6-(1-naphthyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Amino-6-(1-naphthyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,"C1=CC=C2C(=C1)C=CC=C2C3=NC(=NC(=C3)CCC(=O)NC4=CC=CC(=C4)C(F)(F)F)N","NXJXJCFZGNHRIP-UHFFFAOYSA-N",367730,NA,"PDBC19260","637669","Present",NA,NA
+"19261","3-(2-Amino-6-(2-naphthyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Amino-6-(2-naphthyl)-4-pyrimidinyl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C3=NC(=NC(=C3)CCC(=O)NC4=CC=CC(=C4)C(F)(F)F)N","HZEXYUHIMZYJNF-UHFFFAOYSA-N",365078,NA,"PDBC19261","632036","Present",NA,NA
+"19262","3-(2-Amino-6-hydroxy-7H-purin-7-yl)-2-hydroxypropyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Amino-6-hydroxy-7H-purin-7-yl)-2-hydroxypropyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCC(CN2C=NC3=C2C(=O)NC(=N3)N)O","MWWPYOIXLBWNTD-UHFFFAOYSA-N",135470029,NA,"PDBC19262","637536","Present",NA,NA
+"19263","3-(2-Amino-6-sulfanyl-purin-7-yl)propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Amino-6-sulfanyl-purin-7-yl)propane-1,2-diol",NA,"C1=NC2=C(N1CC(CO)O)C(=S)N=C(N2)N","XVEXUEUWZLTZCH-UHFFFAOYSA-N",3004226,NA,"PDBC19263","637513","Present",NA,NA
+"19264","3-(2-Amino-6-tert-butyl-4-pyrimidinyl)-N-(2,4-dichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Amino-6-tert-butyl-4-pyrimidinyl)-N-(2,4-dichlorophenyl)propanamide",NA,"CC(C)(C)C1=NC(=NC(=C1)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)N","DABYIAUPLKGONB-UHFFFAOYSA-N",364868,NA,"PDBC19264","631680","Present",NA,NA
+"19265","3-(2-Amino-thiazol-4-yl)-2,4-dioxo-pentanoic acid (2,4,5-trichloro-phenyl)-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Amino-1,3-thiazol-4-yl)-2,4-dioxo-N-(2,4,5-trichlorophenyl)pentanamide",NA,"CC(=O)C(C1=CSC(=N1)N)C(=O)C(=O)NC2=CC(=C(C=C2Cl)Cl)Cl","ALOHHYYQTOUGIM-UHFFFAOYSA-N",369252,NA,"PDBC19265","640983","Present",NA,NA
+"19266","3-(2-Aminophenyl)-1,2,4-oxadiazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Aminophenyl)-1,2,4-oxadiazol-5(4H)-one",NA,"C1=CC=C(C(=C1)C2=NOC(=O)N2)N","OOYKFDMYANYAMD-UHFFFAOYSA-N",135457094,NA,"PDBC19266","686354","Present",NA,NA
+"19267","3-(2-Aminophenyl)-2-hydroxypropanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Aminophenyl)-2-hydroxypropanoic acid;hydrochloride",NA,"C1=CC=C(C(=C1)CC(C(=O)O)O)N.Cl","ZPQCBXVYWNOYRN-UHFFFAOYSA-N",54602670,NA,"PDBC19267","402534","Present",NA,NA
+"19268","3-(2-Aminophenyl)-6,8-dibromo-2-methyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Aminophenyl)-6,8-dibromo-2-methyl-4(3H)-quinazolinone",NA,"CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3N","VOUWCEOGIZPVOJ-UHFFFAOYSA-N",380117,NA,"PDBC19268","665519","Present",NA,NA
+"19269","3-(2-Aminophenyl)sulfanyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Aminophenyl)sulfanyl-1-(3,4-dichlorophenyl)pyrrolidine-2,5-dione",NA,"C1C(C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl)SC3=CC=CC=C3N","GJEPFNGOMIWOHX-UHFFFAOYSA-N",295591,NA,"PDBC19269","164991","Present",NA,NA
+"19270","3-(2-Aminophenyl)sulfanyl-3-(2,6-dichlorophenyl)-1-phenylpropan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Aminophenyl)sulfanyl-3-(2,6-dichlorophenyl)-1-phenylpropan-1-one",NA,"C1=CC=C(C=C1)C(=O)CC(C2=C(C=CC=C2Cl)Cl)SC3=CC=CC=C3N","OENCHEBBVZSWKN-UHFFFAOYSA-N",300906,NA,"PDBC19270","176389","Present",NA,NA
+"19271","3-(2-Aminopyrimidin-4-yl)-1-benzyl-2-methylbenzo[f]indole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Aminopyrimidin-4-yl)-1-benzyl-2-methylbenzo[f]indole-4,9-dione",NA,"CC1=C(C2=C(N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=NC(=NC=C5)N","KFEAXDDNILOHTI-UHFFFAOYSA-N",54612650,NA,"PDBC19271","730933","Present",NA,NA
+"19272","3-(2-Aminopyrimidin-4-yl)-2-methyl-1-phenylbenzo[f]indole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Aminopyrimidin-4-yl)-2-methyl-1-phenylbenzo[f]indole-4,9-dione",NA,"CC1=C(C2=C(N1C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=NC(=NC=C5)N","NVUKVMTVOJOHAG-UHFFFAOYSA-N",54612651,NA,"PDBC19272","730934","Present",NA,NA
+"19273","3-(2-Azidophenyl)-4-bromo-oxadiazol-3-ium-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Azidophenyl)-4-bromo-oxadiazol-3-ium-5-ol",NA,"C1=CC=C(C(=C1)N=[N+]=[N-])[N+]2=NOC(=C2Br)[O-]","AEXBXPBLUJMSMO-UHFFFAOYSA-N",370907,NA,"PDBC19273","644646","Present",NA,NA
+"19274","3-(2-Benzhydryloxyethyl)-3,8-diazabicyclo[3.2.1]octane;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(Diphenylmethoxy)ethyl]-3,8-diazabicyclo[3.2.1]octane ethanedioate",NA,"C1CC2CN(CC1N2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O","FFQRLGALEYTYPB-UHFFFAOYSA-N",401865,NA,"PDBC19274","715564","Present",NA,NA
+"19275","3-(2-Benzhydryloxyethyl)-8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octane;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(Diphenylmethoxy)ethyl]-8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octane ethanedioate",NA,"C1CC2CN(CC1N2CCCC3=CC=CC=C3)CCOC(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O","SJMOAYCYRJFSDJ-UHFFFAOYSA-N",401867,NA,"PDBC19275","715565","Present",NA,NA
+"19276","3-(2-Benzothiazolyl)-6-methoxycoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL368389",NA,"COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4S3","HKOKDCKQIDYUFY-UHFFFAOYSA-N",395990,NA,"PDBC19276","701114","Present",NA,NA
+"19277","3-(2-Benzothiazolyl)coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_023061",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3","KMZRPGPWSFZJLB-UHFFFAOYSA-N",395989,NA,"PDBC19277","701113","Present",NA,NA
+"19278","3-(2-Benzyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Benzyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)propanoic acid",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)CCC(=O)O)CC4=CC=CC=C4","JEMZPXUMGHBIRW-UHFFFAOYSA-N",363937,NA,"PDBC19278","629426","Present",NA,NA
+"19279","3-(2-Benzyl-3-methoxycarbonyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Benzyl-3-methoxycarbonyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl)propanoic acid",NA,"CN1C2=CC=CC=C2C3=C1C(N(C(C3)C(=O)OC)CC4=CC=CC=C4)CCC(=O)O","PWFSWGNUCOCART-UHFFFAOYSA-N",364160,NA,"PDBC19279","629860","Present",NA,NA
+"19280","3-(2-Bromo-1-ethoxyethoxy)-4,4-dimethyloxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Bromo-1-ethoxyethoxy)-4,4-dimethyloxolan-2-one",NA,"CCOC(CBr)OC1C(=O)OCC1(C)C","GLSNYCQCGYJLMV-UHFFFAOYSA-N",3883185,NA,"PDBC19280","697404","Present",NA,NA
+"19281","3-(2-Bromo-2-carboxyethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Bromo-2-carboxyethyl)benzoic acid",NA,"C1=CC(=CC(=C1)C(=O)O)CC(C(=O)O)Br","KQJYLOJYMYQEFS-UHFFFAOYSA-N",265268,NA,"PDBC19281","101127","Present",NA,NA
+"19282","3-(2-Bromoacridin-9-yl)-5-methyl-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Bromoacridin-9-yl)-5-methyl-1,3,5-thiadiazinane-2-thione",NA,"CN1CN(C(=S)SC1)C2=C3C=C(C=CC3=NC4=CC=CC=C42)Br","RJFLSKQOHAYUJH-UHFFFAOYSA-N",6712756,NA,"PDBC19282","709319","Present",NA,NA
+"19283","3-(2-Bromoallyl)-1,3,5,7-tetraazaadamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664332",NA,"C=C(C[N+]12CN3CN(C1)CN(C3)C2)Br.[Br-]","XOYSOGMWMAEYNK-UHFFFAOYSA-M",379623,NA,"PDBC19283","664332","Present",NA,NA
+"19284","3-(2-Bromophenyl)-3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Bromophenyl)-3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethylpropanamide",NA,"CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=CC=C2Br)C(C(=O)N(C)C)(F)F","XRAJUCPERLATGD-UHFFFAOYSA-N",395451,NA,"PDBC19284","699996","Present",NA,NA
+"19285","3-(2-Carboxy-3-(5,6,7,8-tetrahydro-2-naphthalenyl)propyl)-5,6,7,8-tetrahydro-2-naphthalenecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[3-Hydroxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-6-carboxylic acid",NA,"C1CCC2=C(C1)C=CC(=C2)CC(CC3=C(C=C4CCCCC4=C3)C(=O)O)C(=O)O","YZRMWLUFTMMXJC-UHFFFAOYSA-N",385650,NA,"PDBC19285","676996","Present",NA,NA
+"19286","3-(2-Carboxyethyl)-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Carboxyethyl)-6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,"COC1=C2CCC(C3=C(OC(=C23)C=C1)C(=O)O)CCC(=O)O","KMFOJKPJJSOSSV-UHFFFAOYSA-N",361657,NA,"PDBC19286","624875","Present",NA,NA
+"19287","3-(2-Carboxyethyl)-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Carboxyethyl)-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,"COC1=C2C3=C(CCC(C3=C(O2)C(=O)O)CCC(=O)O)C=C1","QELGFPDGYPSTLE-UHFFFAOYSA-N",361585,NA,"PDBC19287","624766","Present",NA,NA
+"19288","3-(2-Chloro-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chloro-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=C(NC4=CC=CC=C43)Cl)C(=O)N2","LOMPIJBZOZLSKL-RIYZIHGNSA-N",5471472,NA,"PDBC19288","711612","Present",NA,NA
+"19289","3-(2-Chloro-5-methoxy-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chloro-5-methoxy-1H-indol-3-ylmethylene)-5-methoxy-6-methyl-1,3-dihydro-indol-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=C(NC4=C3C=C(C=C4)OC)Cl)C(=O)N2","FBUJSIPNYSGTNE-OVCLIPMQSA-N",5471473,NA,"PDBC19289","711613","Present",NA,NA
+"19290","3-(2-Chloro-6-fluorophenyl)-4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-5-methyl-1,2-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chloro-6-fluorophenyl)-4-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-5-methyl-1,2-oxazole",NA,"CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C3=NC=C(O3)C4=CC=C(C=C4)Cl","HUDZYEDAJNLYFE-UHFFFAOYSA-N",342458,NA,"PDBC19290","379407","Present",NA,NA
+"19291","3-(2-Chloro-6-methylphenyl)-2,6-dimethyl-2,3-dihydro-4(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chloro-6-methylphenyl)-2,6-dimethyl-2,3-dihydro-4(1H)-pyrimidinone",NA,"CC1NC(=CC(=O)N1C2=C(C=CC=C2Cl)C)C","JTIQTWMKHHPEEM-UHFFFAOYSA-N",365320,NA,"PDBC19291","632910","Present",NA,NA
+"19292","3-(2-Chloro-6-methylphenyl)-2-(2-hydroxy-2-(4-pyridinyl)vinyl)-6-methyl-4(3H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chloro-6-methylphenyl)-2-(2-hydroxy-2-(4-pyridinyl)vinyl)-6-methyl-4(3H)-pyrimidinone",NA,"CC1=C(C(=CC=C1)Cl)N2C(=O)C=C(N=C2C=C(C3=CC=NC=C3)O)C","RJDBSSBLPZRWTK-WJDWOHSUSA-N",135510108,NA,"PDBC19292","632907","Present",NA,NA
+"19293","3-(2-Chloro-phenyl)-3-(2-chloro-phenylmethanesulfonyl)-N-(2,6-dimethyl-phenyl)-2-oxo-propionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-chlorobenzylsulfonyl)-3-(2-chlorophenyl)-N-(2,6-dim...",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C2=CC=CC=C2Cl)S(=O)(=O)CC3=CC=CC=C3Cl","MFERXJLGXFFSND-UHFFFAOYSA-N",376677,NA,"PDBC19293","657722","Present",NA,NA
+"19294","3-(2-Chlorobenzimidazol-1-yl)propan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorobenzimidazol-1-yl)propan-1-amine",NA,"C1=CC=C2C(=C1)N=C(N2CCCN)Cl","HFUQIUKDAZKAFL-UHFFFAOYSA-N",393027,NA,"PDBC19294","694271","Present",NA,NA
+"19295","3-(2-Chloroethyl)-2-[(E)-2-(4-dodecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chloroethyl)-2-[(E)-2-(4-dodecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride",NA,"CCCCCCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCCl.[Cl-]","KBQHRFSHXBAJGK-KLSJZZFUSA-M",5470032,NA,"PDBC19295","696882","Present",NA,NA
+"19296","3-(2-Chloroethyl)-2-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chloroethyl)-2-[(E)-2-(4-hexadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride",NA,"CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCCl.[Cl-]","YOGHODZGXNSNTG-GOSREXKOSA-M",5470034,NA,"PDBC19296","696883","Present",NA,NA
+"19297","3-(2-Chloroethyl)-2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chloroethyl)-2-[(E)-2-(4-octadecoxyphenyl)ethenyl]-4,5-dihydro-1,3-oxazol-3-ium;chloride",NA,"CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C=CC2=[N+](CCO2)CCCl.[Cl-]","JBYNNTPUUZGGFJ-NMSJBYGBSA-M",5470036,NA,"PDBC19297","696884","Present",NA,NA
+"19298","3-(2-Chloroethyl)-2-cyclopenta-2,4-dien-1-ylidene-1,3-oxazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chloroethyl)-2-cyclopenta-2,4-dien-1-ylidene-1,3-oxazolidine",NA,"C1COC(=C2C=CC=C2)N1CCCl","ATJQNZKNKHMJQD-UHFFFAOYSA-N",403546,NA,"PDBC19298","718566","Present",NA,NA
+"19299","3-(2-Chlorophenyl)-1-(cyclohexylideneamino)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-1-(cyclohexylideneamino)urea",NA,"C1CCC(=NNC(=O)NC2=CC=CC=C2Cl)CC1","PGIKYBYPGWYCAC-UHFFFAOYSA-N",401532,NA,"PDBC19299","715191","Present",NA,NA
+"19300","3-(2-Chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,"C1C2C(C3=CC=CC=C3O1)N(N=C2C4=CC=CC=C4Cl)C5=CC=CC=C5","QXZYQONISJXTPA-UHFFFAOYSA-N",371900,NA,"PDBC19300","646484","Present",NA,NA
+"19301","3-(2-Chlorophenyl)-2-(2-hydroxybenzoyl)-5-methyl-N-phenyl-3,4-dihydropyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-2-(2-hydroxybenzoyl)-5-methyl-N-phenyl-3,4-dihydropyrazole-4-carboxamide",NA,"CC1=NN(C(C1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3Cl)C(=O)C4=CC=CC=C4O","SJCIYTOVYYJUNN-UHFFFAOYSA-N",399990,NA,"PDBC19301","711142","Present",NA,NA
+"19302","3-(2-Chlorophenyl)-2-(2-oxo-2-(4-pyridinyl)ethyl)-6-phenyl-4(3H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-2-(2-oxo-2-(4-pyridinyl)ethyl)-6-phenyl-4(3H)-pyrimidinone",NA,"C1=CC=C(C=C1)C2=CC(=O)N(C(=N2)CC(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl","CLGJXLSCCHMVDF-UHFFFAOYSA-N",365316,NA,"PDBC19302","632905","Present",NA,NA
+"19303","3-(2-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=CC=C3Cl","JIXDELGPRVHNPA-UHFFFAOYSA-N",396386,NA,"PDBC19303","702339","Present",NA,NA
+"19304","3-(2-Chlorophenyl)-3-(3-chlorophenyl)oxirane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-3-(3-chlorophenyl)oxirane-2-carboxylic acid",NA,"C1=CC=C(C(=C1)C2(C(O2)C(=O)O)C3=CC(=CC=C3)Cl)Cl","ZLEYYNBRZZXPFX-UHFFFAOYSA-N",268476,NA,"PDBC19304","108696","Present",NA,NA
+"19305","3-(2-Chlorophenyl)-3-cyano-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-3-cyano-2-oxopropanamide",NA,"C1=CC=C(C(=C1)C(C#N)C(=O)C(=O)N)Cl","YDWCLBRLSIFGGA-UHFFFAOYSA-N",365063,NA,"PDBC19305","632021","Present",NA,NA
+"19306","3-(2-Chlorophenyl)-3-cyano-N-(2,6-dimethylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-3-cyano-N-(2,6-dimethylphenyl)-2-oxopropanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C#N)C2=CC=CC=C2Cl","CUHIGJBJYLULRP-UHFFFAOYSA-N",365079,NA,"PDBC19306","632037","Present",NA,NA
+"19307","3-(2-Chlorophenyl)-3-cyano-N-(2-ethylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-3-cyano-N-(2-ethylphenyl)-2-oxopropanamide",NA,"CCC1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=CC=CC=C2Cl","PWTHVOHHPCLRNH-UHFFFAOYSA-N",365053,NA,"PDBC19307","632011","Present",NA,NA
+"19308","3-(2-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine",NA,"CC1=NN2C(=NN=C2NC(C1)(C)C)C3=CC=CC=C3Cl","LCFJTMFEACPMQU-UHFFFAOYSA-N",369068,NA,"PDBC19308","640625","Present",NA,NA
+"19309","3-(2-Chlorophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=CC=C3Cl)N)[O-]","OZVZERSIOHJMRE-UHFFFAOYSA-N",135503391,NA,"PDBC19309","621731","Present",NA,NA
+"19310","3-(2-Chlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=CC=C3Cl)N)[O-]","PFVBCRHKISLJPE-UHFFFAOYSA-N",135503398,NA,"PDBC19310","621744","Present",NA,NA
+"19311","3-(2-Chlorophenyl)-7-fluorochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-7-fluoro-chromen-4-one",NA,"C1=CC=C(C(=C1)C2=COC3=C(C2=O)C=CC(=C3)F)Cl","DYJOHRAQXUCDNG-UHFFFAOYSA-N",394828,NA,"PDBC19311","698680","Present",NA,NA
+"19312","3-(2-Chlorophenyl)-[1,2,4]triazino[6,1-b]quinazoline-4,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chlorophenyl)-[1,2,4]triazino[6,1-b]quinazoline-4,10-dione",NA,"C1=CC=C2C(=C1)C(=O)N3C(=N2)C(=O)N(C=N3)C4=CC=CC=C4Cl","FLZKYFDXSPYROR-UHFFFAOYSA-N",389562,NA,"PDBC19312","685868","Present",NA,NA
+"19313","3-(2-Chloropyridin-3-yl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Chloro-3-pyridyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile",NA,"C1=CC(=C(N=C1)Cl)C(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F","IMXXOKQLFJKJLI-UHFFFAOYSA-N",395230,NA,"PDBC19313","699705","Present",NA,NA
+"19314","3-(2-Cyclopent-2-enyl-ethyl)-3-methyl-piperidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Cyclopent-2-enyl-ethyl)-3-methyl-piperidine-2-thione",NA,"CC1(CCCNC1=S)CCC2CCC=C2","WPQSANCPQIMIMF-UHFFFAOYSA-N",3001577,NA,"PDBC19314","662787","Present",NA,NA
+"19315","3-(2-Dimethylaminoethyl)-6-(2-morpholinoacetyl)-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Dimethylaminoethyl)-6-(2-morpholinoacetyl)-1,3-benzoxazol-2-one",NA,"CN(C)CCN1C2=C(C=C(C=C2)C(=O)CN3CCOCC3)OC1=O","YYNTUUXAKMKYKL-UHFFFAOYSA-N",391451,NA,"PDBC19315","690655","Present",NA,NA
+"19316","3-(2-Dimethylaminoethyl)pyrido[2,3-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Dimethylaminoethyl)pyrido[2,3-d]pyrimidin-4-one",NA,"CN(C)CCN1C=NC2=C(C1=O)C=CC=N2","BJQAYRRJWYDQIJ-UHFFFAOYSA-N",360819,NA,"PDBC19316","623236","Present",NA,NA
+"19317","3-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2$l^{5}-diazaphosphol-5-yl)-1,1-diethyl-guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2$l^{5}-diazaphosphol-5-yl)-1,1-diethyl-guanidine",NA,"CCN(CC)C(=NC1=NP(=O)(C(N1C)(C)C)OCC)N","DSQPGVKMYHNNQV-UHFFFAOYSA-N",9571491,NA,"PDBC19317","671960","Present",NA,NA
+"19318","3-(2-Fluoro-2,2-dinitroethoxy)propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Fluoro-2,2-dinitro-ethoxy)propane-1,2-diol",NA,"C(C(COCC([N+](=O)[O-])([N+](=O)[O-])F)O)O","YPTBUFOESBNEOF-UHFFFAOYSA-N",388365,NA,"PDBC19318","683260","Present",NA,NA
+"19319","3-(2-Fluorophenyl)-2-methylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B 227",NA,"CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3F","GSTFOVILIDDZER-UHFFFAOYSA-N",63371,NA,"PDBC19319","634172","Present",NA,NA
+"19320","3-(2-Fluorophenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Fluorophenyl)-3-oxo-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]propanenitrile",NA,"C1=CC=C(C(=C1)C(=O)C(C#N)C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)F","DTKHNGDZAJKRLV-UHFFFAOYSA-N",395236,NA,"PDBC19320","699711","Present",NA,NA
+"19321","3-(2-Furyl)-5-(2-propynylthio)-1H-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-furyl)-5-prop-2-ynylsulfanyl-1H-1,2,4-triazole",NA,"C#CCSC1=NNC(=N1)C2=CC=CO2","LCQJKDPYEQJPIH-UHFFFAOYSA-N",339743,NA,"PDBC19321","367487","Present",NA,NA
+"19322","3-(2-Furyl)-5-(5-methyl-2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Furyl)-5-(5-methyl-2-furyl)-1-phenyl-4,5-dihydro-1H-pyrazole",NA,"CC1=CC=C(O1)C2CC(=NN2C3=CC=CC=C3)C4=CC=CO4","AHLDCNGCJRJYNI-UHFFFAOYSA-N",376138,NA,"PDBC19322","656631","Present",NA,NA
+"19323","3-(2-Furyl)acrolein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-furyl)acrolein",NA,"C1=COC(=C1)C=CC=O","VZIRCHXYMBFNFD-HNQUOIGGSA-N",1549521,NA,"PDBC19323","2061","Present",NA,NA
+"19324","3-(2-Furylcarbonyl)-3-furfuryl-1-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Furylcarbonyl)-3-furfuryl-1-phenylthiourea",NA,"C1=CC=C(C=C1)NC(=S)N(CC2=CC=CO2)C(=O)C3=CC=CO3","QGBHHTDMULYQTI-UHFFFAOYSA-N",3004796,NA,"PDBC19324","659778","Present",NA,NA
+"19325","3-(2-Furylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Furylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,"C1=CC=C2C(=C1)C(=O)N3C(=CC4=CC=CO4)C(=O)NC3=N2","LRJVINWJIBXJMU-XYOKQWHBSA-N",135493950,NA,"PDBC19325","684350","Present",NA,NA
+"19326","3-(2-Hydrazono-2-phenylethylidene)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Indol-2-one, 3-(2-hydrazono-2-phenylethylidene)-1,3-d...",NA,"C1=CC=C(C=C1)C(=CC2=C(NC3=CC=CC=C32)O)N=N","UXAZVAVJTJTJHF-QFULKBQASA-N",135426837,NA,"PDBC19326","175274","Present",NA,NA
+"19327","3-(2-Hydroxy-1-naphthyl)-1-(1-naphthyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-hydroxy-1-naphthyl)-1-(1-naphthyl)prop-2-en-1-one",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)C=CC3=C(C=CC4=CC=CC=C43)O","UTJPXWFTKSJOMT-FYWRMAATSA-N",5894473,NA,"PDBC19327","636789","Present",NA,NA
+"19328","3-(2-Hydroxy-1-naphthyl)-1-(2-naphthyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-hydroxy-1-naphthyl)-1-(2-naphthyl)prop-2-en-1-one",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C=CC3=C(C=CC4=CC=CC=C43)O","OCSCHZZAEMXYDW-WYMLVPIESA-N",5922713,NA,"PDBC19328","636985","Present",NA,NA
+"19329","3-(2-Hydroxy-1-naphthyl)-1-(3-hydroxyphenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxy-1-naphthyl)-1-(3-hydroxyphenyl)-2-propen-1-one",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC(=O)C3=CC(=CC=C3)O)O","SEJSOIIPSTXKHD-PKNBQFBNSA-N",5351371,NA,"PDBC19329","636786","Present",NA,NA
+"19330","3-(2-Hydroxy-1-naphthyl)-1-phenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxy-1-naphthyl)-1-phenyl-2-propen-1-one",NA,"C1=CC=C(C=C1)C(=O)C=CC2=C(C=CC3=CC=CC=C32)O","BULMFFWOBSTTTQ-ACCUITESSA-N",5879764,NA,"PDBC19330","636791","Present",NA,NA
+"19331","3-(2-Hydroxy-2-(3-(hydroxy(oxido)amino)phenyl)-N-phenylethanehydrazonoyl)-7-(hydroxy(oxido)amino)-3,4-dihydro-2(1H)-quinoxalinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-N-Anilino-C-[hydroxy-(3-nitrophenyl)methyl]carbonimidoyl]-7-nitro-3,4-dihydro-1H-quinoxalin-2-one",NA,"C1=CC=C(C=C1)NN=C(C2C(=O)NC3=C(N2)C=CC(=C3)[N+](=O)[O-])C(C4=CC(=CC=C4)[N+](=O)[O-])O","RKTAPZMROCFGAE-LGUFXXKBSA-N",9556483,NA,"PDBC19331","647575","Present",NA,NA
+"19332","3-(2-Hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxy-4-methoxyphenyl)-5-(4-methoxyphenyl)-1-(4-s...",NA,"COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=C(C=C(C=C4)OC)O","ODTBHIRKDYMBQQ-UHFFFAOYSA-N",135960825,NA,"PDBC19332","749117","Present",NA,NA
+"19333","3-(2-Hydroxy-4-sulfo-1-naphthylazo)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxy-4-sulfo-1-naphthylazo)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O","SFGXHBZZOUUGLQ-UHFFFAOYSA-N",389913,NA,"PDBC19333","686564","Present",NA,NA
+"19334","3-(2-Hydroxy-5-chloro-4-methylphenyl)-5-(2-phenylethene)-1-(4-sulfamylphenyl)-pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxy-5-chloro-4-methylphenyl)-5-(2-phenylethene)...",NA,"CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N)O","DALKXKJBXZFJQV-BQYQJAHWSA-N",135968248,NA,"PDBC19334","750148","Present",NA,NA
+"19335","3-(2-Hydroxyethoxy)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BBV-081488",NA,"C1=CC(=CC(=C1)OCCO)C(=O)O","VETJNXLHVDPVOS-UHFFFAOYSA-N",283048,NA,"PDBC19335","137280","Present",NA,NA
+"19336","3-(2-Hydroxyethoxymethyl)-6-methyl-7-trityl-5H-imidazo[1,2-a]purin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxyethoxymethyl)-6-methyl-7-trityl-5H-imidazo[1,2-a]purin-9-one",NA,"CC1=C(N2C(=O)C3=C(N=C2N1)N(C=N3)COCCO)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","IQLJCVXFXBXDNH-UHFFFAOYSA-N",399225,NA,"PDBC19336","709899","Present",NA,NA
+"19337","3-(2-Hydroxyethyl)-2-methylbenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyethyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=NC2=C(N1CCO)C(=O)C3=CC=CC=C3C2=O","SWGVICOPURUAFY-UHFFFAOYSA-N",374272,NA,"PDBC19337","651773","Present",NA,NA
+"19338","3-(2-Hydroxyethylsulfamoyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxyethylsulfamoyl)benzoic acid",NA,"C1=CC(=CC(=C1)S(=O)(=O)NCCO)C(=O)O","GHMBQQCUBLEGIP-UHFFFAOYSA-N",257469,NA,"PDBC19338","85512","Present",NA,NA
+"19339","3-(2-Hydroxymethyl-4-octadec-9-enylidene-5-oxo-tetrahydro-furan-2-yl)-acrylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxymethyl-4-octadec-9-enylidene-5-oxo-tetrahydro-furan-2-yl)-acrylic acid methyl ester",NA,"CCCCCCCCC=CCCCCCCCC=C1CC(OC1=O)(CO)C=CC(=O)OC","YUTZKTSDQCEUQO-ZGTHDJBKSA-N",5470635,NA,"PDBC19339","703763","Present",NA,NA
+"19340","3-(2-Hydroxyphenacyl)Phthalide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK967186",NA,"C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC=CC=C3O","KKTFEYRHVJRQAF-UHFFFAOYSA-N",360212,NA,"PDBC19340","622204","Present",NA,NA
+"19341","3-(2-Hydroxyphenyl)-1-(1-naphthyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxyphenyl)-1-(1-naphthyl)-2-propen-1-one",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)C=CC3=CC=CC=C3O","WZDDSECARSIVPZ-OUKQBFOZSA-N",5936347,NA,"PDBC19341","637004","Present",NA,NA
+"19342","3-(2-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxyphenyl)-1-(thiophen-2-yl)prop-2-en-1-one",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC=CS2)O","WNCXWTPPRZUAKU-BQYQJAHWSA-N",5387158,NA,"PDBC19342","621367","Present",NA,NA
+"19343","3-(2-Hydroxyphenyl)-3,7-chromanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxyphenyl)-3,7-chromanediol",NA,"C1C2=C(C=C(C=C2)O)OCC1(C3=CC=CC=C3O)O","PVKUKNMFETYMQS-UHFFFAOYSA-N",391073,NA,"PDBC19343","689607","Present",NA,NA
+"19344","3-(2-Hydroxypropyl)-6,8-dimethoxynaphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxypropyl)-6,8-dimethoxynaphthalen-1-ol",NA,"CC(CC1=CC2=CC(=CC(=C2C(=C1)O)OC)OC)O","JSEUZEQTUXBQCS-UHFFFAOYSA-N",372271,NA,"PDBC19344","647327","Present",NA,NA
+"19345","3-(2-Iodophenyl)-2-methylquinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6926673",NA,"CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3I","IGCDEOUGTQHHHF-UHFFFAOYSA-N",366004,NA,"PDBC19345","634177","Present",NA,NA
+"19346","3-(2-Methoxy-1-naphthyl)phthalide, hydrate [10:1]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Methoxy-1-naphthyl)phthalide, hydrate [10:1]",NA,"COC1=C(C2=CC=CC=C2C=C1)C3C4=CC=CC=C4C(=O)O3","DOROWQYWMLHPJX-UHFFFAOYSA-N",368155,NA,"PDBC19346","638504","Present",NA,NA
+"19347","3-(2-Methoxy-9-oxo-10(9H)-acridinyl)acrylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Methoxy-9-oxo-10(9H)-acridinyl)acrylic acid",NA,"COC1=CC2=C(C=C1)N(C3=CC=CC=C3C2=O)C=CC(=O)O","HSEYUTQESBHBCS-CMDGGOBGSA-N",5903352,NA,"PDBC19347","646651","Present",NA,NA
+"19348","3-(2-Methoxyphenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Methoxyphenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]",NA,"CC1=CC=C(C=C1)NC(=O)OCC(COC2=CC=CC=C2OC)OC(=O)NC3=CC=C(C=C3)C","OMGPDNGMOPJEIW-UHFFFAOYSA-N",367003,NA,"PDBC19348","636331","Present",NA,NA
+"19349","3-(2-Methoxyphenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide",NA,"COC1=CC=CC=C1N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","UEHRTDGCXOWAEL-UHFFFAOYSA-N",401414,NA,"PDBC19349","715066","Present",NA,NA
+"19350","3-(2-Methoxyphenyl)-1-phenylprop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636918",NA,"COC1=CC=CC=C1C=CC(=O)C2=CC=CC=C2","ZWTRSTWJBWJEFR-VAWYXSNFSA-N",5383464,NA,"PDBC19350","636918","Present",NA,NA
+"19351","3-(2-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC=CC=C1N2C(SCC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","HZZOLGRLEKSJJW-UHFFFAOYSA-N",401407,NA,"PDBC19351","715059","Present",NA,NA
+"19352","3-(2-Methoxyphenyl)-2-methylquinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL304828",NA,"CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3OC","YIEVFKLHPPPUSM-UHFFFAOYSA-N",365324,NA,"PDBC19352","632915","Present",NA,NA
+"19353","3-(2-Methoxyphenyl)-2-phenylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Methoxyphenyl)-2-phenylacrylonitrile",NA,"COC1=CC=CC=C1C=C(C#N)C2=CC=CC=C2","DHHRPBSETDXPFV-RVDMUPIBSA-N",5388795,NA,"PDBC19353","638624","Present",NA,NA
+"19354","3-(2-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine",NA,"COC1=CC=CC=C1N2C3=NC(=NC(=C3N=N2)N)N","OKUIELUGBHHSLZ-UHFFFAOYSA-N",390791,NA,"PDBC19354","688725","Present",NA,NA
+"19355","3-(2-Methyl-1H-indol-3-yl)propan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Methyl-1H-indol-3-yl)propan-1-ol",NA,"CC1=C(C2=CC=CC=C2N1)CCCO","WEEOENRUEASLAA-UHFFFAOYSA-N",336484,NA,"PDBC19355","351107","Present",NA,NA
+"19356","3-(2-Methylphenyl)phthalide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Methylphenyl)phthalide",NA,"CC1=CC=CC=C1C2C3=CC=CC=C3C(=O)O2","IPWGBWXYYLCOLW-UHFFFAOYSA-N",367715,NA,"PDBC19356","637648","Present",NA,NA
+"19357","3-(2-N,2,4-Benzotriazine 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628917",NA,"CCN(CC)CCNC1=[N+](C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-])[O-]","NYEUAKOHUDTNHD-UHFFFAOYSA-N",135426847,NA,"PDBC19357","628917","Present",NA,NA
+"19358","3-(2-N,2,4-Benzotriazine 1-oxide. Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628910",NA,"CCN(CC)CCNC1=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-].Cl","BKNHJBIDSDNQNZ-UHFFFAOYSA-N",22609881,NA,"PDBC19358","628910","Present",NA,NA
+"19359","3-(2-Naphthyl)-2-phenylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.537.384E",NA,"C1=CC=C(C=C1)C(=CC2=CC3=CC=CC=C3C=C2)C#N","JBBHEBXZPQPJNL-CPNJWEJPSA-N",5388798,NA,"PDBC19359","638631","Present",NA,NA
+"19360","3-(2-Naphthyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E,5Z)-3-(2-Naphthyl)-4,5-bis(phenylimino)thiazolidine-2-thione",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=S)N2C4=CC5=CC=CC=C5C=C4","GWLUNVUGYRXBEC-UHFFFAOYSA-N",383239,NA,"PDBC19360","671354","Present",NA,NA
+"19361","3-(2-Nitrovinyl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-8300",NA,"C1=CC=C2C(=C1)C(=CN2)C=C[N+](=O)[O-]","IPASVEYYTNTJTM-AATRIKPKSA-N",1560156,NA,"PDBC19361","81232","Present",NA,NA
+"19362","3-(2-Oct-1-ynylphenyl)prop-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Oct-1-ynylphenyl)prop-2-yn-1-ol",NA,"CCCCCCC#CC1=CC=CC=C1C#CCO","VCNKDVVNLXZTPI-UHFFFAOYSA-N",24203903,NA,"PDBC19362","730089","Present",NA,NA
+"19363","3-(2-Oxo-1-(1-(4-oxo-3,3-diphenylhexyl)-4-piperidinyl)-2,3-dihydro-1H-indol-3-yl)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Oxo-1-(1-(4-oxo-3,3-diphenylhexyl)-4-piperidinyl)-2,3-dihydro-1H-indol-3-yl)propanenitrile",NA,"CCC(=O)C(CCN1CCC(CC1)N2C3=CC=CC=C3C(C2=O)CCC#N)(C4=CC=CC=C4)C5=CC=CC=C5","APTBROYJIPBUOM-UHFFFAOYSA-N",380233,NA,"PDBC19363","665710","Present",NA,NA
+"19364","3-(2-PYRIDYL)-ACRYLOPHENONE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-PYRIDYL)-ACRYLOPHENONE",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=N2","GYPWVWMVBAKTHW-MDZDMXLPSA-N",5354063,NA,"PDBC19364","197","Present",NA,NA
+"19365","3-(2-Phenylethyl)-1-(phenylsulfonyl)-1H-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Phenylethyl)-1-(phenylsulfonyl)-1H-1,2,4-triazole",NA,"C1=CC=C(C=C1)CCC2=NN(C=N2)S(=O)(=O)C3=CC=CC=C3","MRXZSVZNXOTZCA-UHFFFAOYSA-N",374344,NA,"PDBC19365","651917","Present",NA,NA
+"19366","3-(2-Phenylethyl)-5,5-bis(trifluoromethyl)tetrahydro-3-furanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Phenylethyl)-5,5-bis(trifluoromethyl)tetrahydro-3-furanol",NA,"C1C(COC1(C(F)(F)F)C(F)(F)F)(CCC2=CC=CC=C2)O","ONRSHUHTNRYORH-UHFFFAOYSA-N",379666,NA,"PDBC19366","664544","Present",NA,NA
+"19367","3-(2-Pyridin-2-ylhydrazinyl)indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_010867",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=N3","RAKUQDIILFQMQB-UHFFFAOYSA-N",269887,NA,"PDBC19367","111580","Present",NA,NA
+"19368","3-(2-Pyridylmethoxy)-5-nitro-1H-indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-3-(pyridin-2-ylmethoxy)-1H-indazole",NA,"C1=CC=NC(=C1)COC2=NNC3=C2C=C(C=C3)[N+](=O)[O-]","PNYGWYJRQVHVNS-UHFFFAOYSA-N",384999,NA,"PDBC19368","675830","Present",NA,NA
+"19369","3-(2-Pyrrolidinoethoxy-17-oxo-1,5(10)-estratriene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Pyrrolidinoethoxy-17-oxo-1,3,5(10)-estratriene",NA,"CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCCN5CCCC5","KECBZLKULBZMSJ-SVPADUAOSA-N",396817,NA,"PDBC19369","703821","Present",NA,NA
+"19370","3-(2-Quinolinyl)-1-(2-(2-quinolinyl)vinyl)benzo[f]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Quinolinyl)-1-(2-(2-quinolinyl)vinyl)benzo[f]quinoline",NA,"C1=CC=C2C(=C1)C=CC3=C2C(=CC(=N3)C4=NC5=CC=CC=C5C=C4)C=CC6=NC7=CC=CC=C7C=C6","MAWGSSMWTPIYKZ-NBVRZTHBSA-N",6082683,NA,"PDBC19370","665127","Present",NA,NA
+"19371","3-(2-Quinolinyl)-6-(3,4,5-trimethoxyphenyl)-2,4-pyridinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Quinolyl)-6-(3,4,5-trimethoxyphenyl)pyridine-2,4-diol",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=C(C(=O)N2)C3=NC4=CC=CC=C4C=C3)O","YWPPHDQAYFSWOW-UHFFFAOYSA-N",135429924,NA,"PDBC19371","612223","Present",NA,NA
+"19372","3-(2-Thienyl)-1-(3-thienyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Thienyl)-1-(3-thienyl)-2-propen-1-one",NA,"C1=CSC(=C1)C=CC(=O)C2=CSC=C2","WJVQHLMTEUFIKK-ONEGZZNKSA-N",5467681,NA,"PDBC19372","657755","Present",NA,NA
+"19373","3-(2-Thienyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Thienyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC=CC=C3N=C2C4=CC=CS4","LUTDRROLXXLKNV-UHFFFAOYSA-N",384955,NA,"PDBC19373","675779","Present",NA,NA
+"19374","3-(2-Thienyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Thienyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","CPMXMAZXLDQNAD-UHFFFAOYSA-N",367575,NA,"PDBC19374","637408","Present",NA,NA
+"19375","3-(2-Thienylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Thienylmethylene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,"C1=CC=C2C(=C1)C(=O)N3C(=CC4=CC=CS4)C(=O)NC3=N2","JABUAYOUKDOMPV-XYOKQWHBSA-N",135493949,NA,"PDBC19375","684349","Present",NA,NA
+"19376","3-(3,10-Dimethyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,10-Dimethyl-3-azoniaspiro[5.5]undecan-3-yl)propyl-trimethylazanium;iodide",NA,"CC1CCCC2(C1)CC[N+](CC2)(C)CCC[N+](C)(C)C.[I-]","HGCKJAKPWSCEMA-UHFFFAOYSA-M",5351927,NA,"PDBC19376","95676","Present",NA,NA
+"19377","3-(3,10-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,10-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid",NA,"CN(C)CCCN1C2=C(CCC3=C1C(=CC=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O","YUAYOLMWTZDYIT-UHFFFAOYSA-N",401797,NA,"PDBC19377","715527","Present",NA,NA
+"19378","3-(3,3-Dibromoprop-2-en-1-yl)-4-hydroxynaphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 2-(3,3-dibromo-2-propenyl)-3-hydro...",NA,"C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Br)Br)O","XORFFJDRIVKWMC-UHFFFAOYSA-N",276206,NA,"PDBC19378","123511","Present",NA,NA
+"19379","3-(3,3-Dimethyl-1-triazenyl)-4-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 3-(3,3-dimethyl-1-triazenyl)-4-methoxy- (9CI)",NA,"CN(C)N=NC1=C(C=CC(=C1)C(=O)N)OC","DGNRILCIMHRIOR-UHFFFAOYSA-N",321879,NA,"PDBC19379","276374","Present",NA,NA
+"19380","3-(3,3-Dimethyltriazeno)-N-ethyl-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-153997",NA,"CCNC(=O)C1=CC(=C(C=C1)C)N=NN(C)C","FCEZAHIFFJLZFP-UHFFFAOYSA-N",374080,NA,"PDBC19380","651340","Present",NA,NA
+"19381","3-(3,3-Dimethyltriazeno)-N-isopropyl-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-153999",NA,"CC1=C(C=C(C=C1)C(=O)NC(C)C)N=NN(C)C","KLHKPFZJDCFZMF-UHFFFAOYSA-N",374081,NA,"PDBC19381","651341","Present",NA,NA
+"19382","3-(3,3-Dimethyltriazeno)-N-phenyl-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154001",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N=NN(C)C","RIJPDUIOKZHMKF-UHFFFAOYSA-N",374085,NA,"PDBC19382","651345","Present",NA,NA
+"19383","3-(3,3-Dimethyltriazeno)-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-153996",NA,"CC1=C(C=C(C=C1)C(=O)N)N=NN(C)C","SWZXTDHCGOQNDX-UHFFFAOYSA-N",374079,NA,"PDBC19383","651339","Present",NA,NA
+"19384","3-(3,3-Diphenylpropyl)-3-azabicyclo[3.2.2]nonane hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,3-Diphenylpropyl)-3-azabicyclo[3.2.2]nonane hydroch...",NA,"C1CC2CCC1CN(C2)CCC(C3=CC=CC=C3)C4=CC=CC=C4.Cl","ORHCCLAQDXJOAA-UHFFFAOYSA-N",24189719,NA,"PDBC19384","95501","Present",NA,NA
+"19385","3-(3,4,5-Trihydroxy-6-oxoxanthen-9-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)propanoic acid",NA,"C1=CC(=C(C2=C1C(=C3C=CC(=O)C(=C3O2)O)CCC(=O)O)O)O","OCMFSQMNSIPSJS-UHFFFAOYSA-N",274127,NA,"PDBC19385","119915","Present",NA,NA
+"19386","3-(3,4,5-Trimethoxy-benzylamino)-quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4,5-Trimethoxy-benzylamino)-quinoxaline-2-carboxylic acid",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=NC3=CC=CC=C3N=C2C(=O)O","RNPCDEJLWMQENZ-UHFFFAOYSA-N",384956,NA,"PDBC19386","675780","Present",NA,NA
+"19387","3-(3,4,5-Trimethoxy-phenyl)-1-(3,6,7-trimethyl-1,4-dioxy-quinoxalin-2-yl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4,5-Trimethoxy-phenyl)-1-(3,6,7-trimethyl-1,4-dioxy...",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","OWZAQXMWMPPYBY-BQYQJAHWSA-N",54612683,NA,"PDBC19387","742448","Present",NA,NA
+"19388","3-(3,4,5-Trimethoxyphenoxy)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4,5-Trimethoxyphenoxy)quinoxaline-2-carboxylic acid",NA,"COC1=CC(=CC(=C1OC)OC)OC2=NC3=CC=CC=C3N=C2C(=O)O","LAFXCDLLFAXILV-UHFFFAOYSA-N",393703,NA,"PDBC19388","696137","Present",NA,NA
+"19389","3-(3,4,5-Trimethoxyphenyl)-2-(4-methoxyphenyl)propionic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-2-(4-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl) pr...",NA,"COC1=CC=C(C=C1)C(CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC","YPTQVZDDLXUIOB-UHFFFAOYSA-N",368139,NA,"PDBC19389","638482","Present",NA,NA
+"19390","3-(3,4,5-Trimethoxyphenyl)-4-(2-naphthyl)-2,5-dihydrofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4,5-trimethoxy)-4-(2-naphtyl)-2(5H)-furanone",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(COC2=O)C3=CC4=CC=CC=C4C=C3","LDGKCQXGMWOFDM-UHFFFAOYSA-N",10022395,NA,"PDBC19390","727209","Present",NA,NA
+"19391","3-(3,4,5-Trimethoxyphenyl)-4-(phenylethynyl)furan-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenylethynyl-3-(3,4,5-trimethoxy-phenyl)-5H-furan-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(COC2=O)C#CC3=CC=CC=C3","DTUANMIMLOOHGH-UHFFFAOYSA-N",11484899,NA,"PDBC19391","728553","Present",NA,NA
+"19392","3-(3,4,5-Trimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4,5-Trimethoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylic acid",NA,"COC1=CC(=CC(=C1OC)OC)C2=NN=C3N2NC=C(S3)C(=O)O","HRYSWUAJRBJUIP-UHFFFAOYSA-N",369522,NA,"PDBC19392","641377","Present",NA,NA
+"19393","3-(3,4-Dichloroanilino)-2-quinoxalinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichloroanilino)-2-quinoxalinecarboxylic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O","QFASKOSTLPPVIV-UHFFFAOYSA-N",383926,NA,"PDBC19393","672882","Present",NA,NA
+"19394","3-(3,4-Dichloroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichloroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"C1=CC2=C(C=C1C(F)(F)F)N=C(C(=N2)NC3=CC(=C(C=C3)Cl)Cl)C(=O)O","SABWWJHJKIMCIF-UHFFFAOYSA-N",388329,NA,"PDBC19394","683064","Present",NA,NA
+"19395","3-(3,4-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde",NA,"C1CN(C(=S)N1C=O)C(=O)C2=CC(=C(C=C2)Cl)Cl","RNGCNESAOOPKFX-UHFFFAOYSA-N",396750,NA,"PDBC19395","703460","Present",NA,NA
+"19396","3-(3,4-Dichlorobenzyl)-6-phenylthieno[2,3-d]pyrimidin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-dichlorobenzyl)-6-phenyl-3,4-dihydrothieno[2,3-d]...",NA,"C1=CC=C(C=C1)C2=CC3=C(S2)N=CN(C3=O)CC4=CC(=C(C=C4)Cl)Cl","SFXRWLJRYTYHBI-UHFFFAOYSA-N",1191810,NA,"PDBC19396","732882","Present",NA,NA
+"19397","3-(3,4-Dichlorophenoxy)-7-acetoxycoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichlorophenoxy)-7-acetoxycoumarin",NA,"CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC(=C(C=C3)Cl)Cl","VZBDZQHMCCFYCF-UHFFFAOYSA-N",386365,NA,"PDBC19397","678249","Present",NA,NA
+"19398","3-(3,4-Dichlorophenyl)-1-(1-naphthyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichlorophenyl)-1-(1-naphthyl)-2-propen-1-one",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)C=CC3=CC(=C(C=C3)Cl)Cl","YNHRPXVZZIGOJR-PKNBQFBNSA-N",5388426,NA,"PDBC19398","635961","Present",NA,NA
+"19399","3-(3,4-Dichlorophenyl)-1-(2,2-diethoxyethyl)-1-methylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichlorophenyl)-1-(2,2-diethoxyethyl)-1-methylurea",NA,"CCOC(CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl)OCC","RJESHRKMAHZUCO-UHFFFAOYSA-N",377625,NA,"PDBC19399","659203","Present",NA,NA
+"19400","3-(3,4-Dichlorophenyl)-1-(2-naphthyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichlorophenyl)-1-(2-naphthyl)-2-propen-1-one",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C=CC3=CC(=C(C=C3)Cl)Cl","ZTDSULGAVOXOLC-UXBLZVDNSA-N",6180929,NA,"PDBC19400","640532","Present",NA,NA
+"19401","3-(3,4-Dichlorophenyl)-1-[2-(3,4-dichlorophenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-1-yl]-1-(4-methoxyphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichlorophenyl)-1-[2-(3,4-dichlorophenyl)-3-oxo-1H-pyrrolo[1,2-c]imidazol-1-yl]-1-(4-methoxyphenyl)urea",NA,"COC1=CC=C(C=C1)N(C2C3=CC=CN3C(=O)N2C4=CC(=C(C=C4)Cl)Cl)C(=O)NC5=CC(=C(C=C5)Cl)Cl","SUNQHYWMNQSEPN-UHFFFAOYSA-N",400005,NA,"PDBC19401","711187","Present",NA,NA
+"19402","3-(3,4-Dichlorophenyl)-1-methyl-1-[(2S)-2-pyrrolidin-1-ylcyclohexyl]urea;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichlorophenyl)-1-methyl-1-[(2S)-2-pyrrolidin-1-ylcyclohexyl]urea;hydrochloride",NA,"CN(C1CCCCC1N2CCCC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl.Cl","BJFHKFVYIXLNAB-KRNWZFANSA-N",54611453,NA,"PDBC19402","707819","Present",NA,NA
+"19403","3-(3,4-Dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichlorophenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC(=C(C=C3)Cl)Cl","KKOBDOBLPQGGEI-UHFFFAOYSA-N",396387,NA,"PDBC19403","702340","Present",NA,NA
+"19404","3-(3,4-Dichlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dichlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC(=C(C=C3)Cl)Cl)N)[O-]","BXNMCTYACOOGMF-UHFFFAOYSA-N",135444489,NA,"PDBC19404","621745","Present",NA,NA
+"19405","3-(3,4-Dihydroxy-5-methoxyphenyl)propyl 3-(3,4-dihydroxyphenyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dihydroxy-5-methoxyphenyl)propyl 3-(3,4-dihydroxyphenyl)acrylate",NA,"COC1=CC(=CC(=C1O)O)CCCOC(=O)C=CC2=CC(=C(C=C2)O)O","RJMZYDWFEAALOW-FNORWQNLSA-N",5468266,NA,"PDBC19405","666854","Present",NA,NA
+"19406","3-(3,4-Dihydroxy-phenyl)-N-phenethyl-propionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dihydroxy-phenyl)-N-phenethyl-propionamide",NA,"C1=CC=C(C=C1)CCNC(=O)CCC2=CC(=C(C=C2)O)O","AQPITNHTVNCELU-UHFFFAOYSA-N",383149,NA,"PDBC19406","671190","Present",NA,NA
+"19407","3-(3,4-Dihydroxyphenyl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dihydroxyphenyl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CC(=C(C=C2)O)O)C(=O)O","IKSMLHMJHFMLOT-UHFFFAOYSA-N",397553,NA,"PDBC19407","705873","Present",NA,NA
+"19408","3-(3,4-Dihydroxyphenyl)-8-methoxy-4-methylisocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-dihydroxyphenyl)-8-methoxy-4-methylisocoumarin",NA,"CC1=C(OC(=O)C2=C1C=CC=C2O)C3=CC(=C(C=C3)O)O","HESCUSKDPWWOKE-UHFFFAOYSA-N",5473195,NA,"PDBC19408","724391","Present",NA,NA
+"19409","3-(3,4-Dihydroxyphenyl)-N-[2-(3,4,5-trihydroxyphenyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dihydroxyphenyl)-N-[2-(3,4,5-trihydroxyphenyl)ethyl]propanamide",NA,"C1=CC(=C(C=C1CCC(=O)NCCC2=CC(=C(C(=C2)O)O)O)O)O","HDQKGDXWDWTJLW-UHFFFAOYSA-N",383151,NA,"PDBC19409","671192","Present",NA,NA
+"19410","3-(3,4-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dihydroxyphenyl)-N-(2-(3,4-dihydroxyphenyl)ethyl)propanamide",NA,"C1=CC(=C(C=C1CCC(=O)NCCC2=CC(=C(C=C2)O)O)O)O","JSRZDPROOJRCNF-UHFFFAOYSA-N",383150,NA,"PDBC19410","671191","Present",NA,NA
+"19411","3-(3,4-Dihydroxyphenyl)-N-[2-(3,5-dihydroxyphenyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dihydroxyphenyl)-N-[2-(3,5-dihydroxyphenyl)ethyl]propanamide",NA,"C1=CC(=C(C=C1CCC(=O)NCCC2=CC(=CC(=C2)O)O)O)O","OJKLEYZOZVVURX-UHFFFAOYSA-N",389931,NA,"PDBC19411","686584","Present",NA,NA
+"19412","3-(3,4-Dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide",NA,"C1=CC=C(C=C1)COC2=CC(=CC(=C2)O)CCNC(=O)CCC3=CC(=C(C=C3)O)O","DUWUHECAAPSYBK-UHFFFAOYSA-N",389932,NA,"PDBC19412","686585","Present",NA,NA
+"19413","3-(3,4-Dimethoxy-benzylamino)-quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxy-benzylamino)-quinoxaline-2-carboxylic acid",NA,"COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(=O)O)OC","QHVFHNDRKFRACU-UHFFFAOYSA-N",384957,NA,"PDBC19413","675781","Present",NA,NA
+"19414","3-(3,4-Dimethoxyanilino)-2-quinoxalinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyanilino)-2-quinoxalinecarboxylic acid",NA,"COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)O)OC","PHCGHSFXGWGIIH-UHFFFAOYSA-N",383924,NA,"PDBC19414","672880","Present",NA,NA
+"19415","3-(3,4-Dimethoxyphenethyl)-8-(6-methylhept-5-en-2-yl)-3,4-dihydro-2Hbenzo[e][1,3]oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(3,4-Dimethoxyphenyl)ethyl]-5-methyl-8-[(2S)-6-methylhept-5-en-2-yl]-2,4-dihydro-1,3-benzoxazine",NA,"CC1=C2CN(COC2=C(C=C1)C(C)CCC=C(C)C)CCC3=CC(=C(C=C3)OC)OC","IJWLTRHXHCJOMS-FQEVSTJZSA-N",53320503,NA,"PDBC19415","750823","Present",NA,NA
+"19416","3-(3,4-Dimethoxyphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"COC1=C(C=C(C=C1)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-])OC","FMAYVRJZZULQNG-UHFFFAOYSA-N",135503397,NA,"PDBC19416","621742","Present",NA,NA
+"19417","3-(3,4-Dimethoxyphenyl)-2-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyphenyl)-2-quinolinol",NA,"COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3NC2=O)OC","ZOFCKDIGIUHZJJ-UHFFFAOYSA-N",363554,NA,"PDBC19417","628518","Present",NA,NA
+"19418","3-(3,4-Dimethoxyphenyl)-3-((dimethylamino)methyl)-6,7-dimethoxy-2,3-dihydro-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyphenyl)-3-((dimethylamino)methyl)-6,7-dimethoxy-2,3-dihydro-4H-chromen-4-one",NA,"CN(C)CC1(COC2=CC(=C(C=C2C1=O)OC)OC)C3=CC(=C(C=C3)OC)OC","KPFMEBHRNITQLZ-UHFFFAOYSA-N",363711,NA,"PDBC19418","628871","Present",NA,NA
+"19419","3-(3,4-Dimethoxyphenyl)-3-(2-methylpropyl)pyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyphenyl)-3-isobutyl-pyrrolidine",NA,"CC(C)CC1(CCNC1)C2=CC(=C(C=C2)OC)OC","IJPVLZBIZWUIEY-UHFFFAOYSA-N",394156,NA,"PDBC19419","697390","Present",NA,NA
+"19420","3-(3,4-Dimethoxyphenyl)-4-(4-methoxyphenyl)furan-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-2(5H)-furanone",NA,"COC1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC(=C(C=C3)OC)OC","SPEPBRXGJOHWET-UHFFFAOYSA-N",10903498,NA,"PDBC19420","727208","Present",NA,NA
+"19421","3-(3,4-Dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione",NA,"COC1=C(C=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C(=C3)OC)OC)OC)OC","VXORSSUWWJBYLE-UHFFFAOYSA-N",24882588,NA,"PDBC19421","740128","Present",NA,NA
+"19422","3-(3,4-Dimethoxyphenyl)-5-(4-fluorophenyl)-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyphenyl)-5-(4-fluorophenyl)-1H-imidazol-2-one",NA,"COC1=C(C=C(C=C1)N2C=C(NC2=O)C3=CC=C(C=C3)F)OC","GOOZDMKENWSGLE-UHFFFAOYSA-N",45027961,NA,"PDBC19422","740352","Present",NA,NA
+"19423","3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-1H-imidazol-2-one",NA,"COC1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC(=C(C=C3)OC)OC","VJWXHXANNVMZOG-UHFFFAOYSA-N",44446872,NA,"PDBC19423","740261","Present",NA,NA
+"19424","3-(3,4-Dimethoxyphenyl)-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyphenyl)-6,7-dimethyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"CC1=CC2=C(C=C1C)[N+](=C(C(=[N+]2[O-])C3=CC(=C(C=C3)OC)OC)N)[O-]","HITHOCGBOWDCES-UHFFFAOYSA-N",135503385,NA,"PDBC19424","621498","Present",NA,NA
+"19425","3-(3,4-Dimethoxyphenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyphenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC(=C(C=C3)OC)OC)N)[O-]","WJDYCUSYCLNGOA-UHFFFAOYSA-N",135406362,NA,"PDBC19425","621497","Present",NA,NA
+"19426","3-(3,4-Dimethoxyphenyl)-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-Dimethoxyphenyl)-7,8-dimethoxy-2,3-dihydro-4H-chromen-4-one",NA,"COC1=C(C=C(C=C1)C2COC3=C(C2=O)C=CC(=C3OC)OC)OC","VADUSELHZNJNPJ-UHFFFAOYSA-N",363712,NA,"PDBC19426","628872","Present",NA,NA
+"19427","3-(3,4-Dimethoxyphenyl)coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F3139-2752",NA,"COC1=C(C=C(C=C1)C2=CC3=CC=CC=C3OC2=O)OC","OIFPKNYYBNPHRA-UHFFFAOYSA-N",388101,NA,"PDBC19427","682564","Present",NA,NA
+"19428","3-(3,4-Dioxyquinoxalin-2-yl)-1-(3,4,5-trimethoxyphenyl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,7-dimethyl-1,4-dioxyquinoxalin-2-yl)-1-(3,4,5-trime...",NA,"CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC)C)[O-]","PKVLXXTYLDKHIO-CMDGGOBGSA-N",53362837,NA,"PDBC19428","750054","Present",NA,NA
+"19429","3-(3,4-dimethoxyphenyl)-8-methoxyisocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-dimethoxyphenyl)-8-methoxyisocoumarin",NA,"COC1=C(C=C(C=C1)C2=CC3=C(C(=CC=C3)OC)C(=O)O2)OC","GHTACAVDDFVAHW-UHFFFAOYSA-N",406328,NA,"PDBC19429","724387","Present",NA,NA
+"19430","3-(3,5-Dibromo-4-hydroxyphenyl)-2-(2-pyridinyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dibromo-4-hydroxyphenyl)-2-(2-pyridinyl)acrylonitrile",NA,"C1=CC=NC(=C1)C(=CC2=CC(=C(C(=C2)Br)O)Br)C#N","PTOQIPKNVNBYOS-BJMVGYQFSA-N",135499405,NA,"PDBC19430","659320","Present",NA,NA
+"19431","3-(3,5-Dibromo-4-hydroxyphenyl)-2-(3-pyridinyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dibromo-4-hydroxyphenyl)-2-(3-pyridinyl)acrylonitrile",NA,"C1=CC(=CN=C1)C(=CC2=CC(=C(C(=C2)Br)O)Br)C#N","XMCKIJJZPDULJN-NYYWCZLTSA-N",5467801,NA,"PDBC19431","659326","Present",NA,NA
+"19432","3-(3,5-Dibromo-4-hydroxyphenyl)-3-phenyl-2-benzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dibromo-4-hydroxyphenyl)-3-phenyl-2-benzofuran-1(3h)-one",NA,"C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)Br)O)Br","VPEHKIYQFVOKIE-UHFFFAOYSA-N",228250,NA,"PDBC19432","21009","Present",NA,NA
+"19433","3-(3,5-Dibromo-4-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dibromo-4-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile",NA,"COC1=C(C=C(C=C1Br)C=C(C#N)C2=CC=CC=N2)Br","PLKORTXHPYLYAB-IZZDOVSWSA-N",5467800,NA,"PDBC19433","659324","Present",NA,NA
+"19434","3-(3,5-Dibromo-4-methoxyphenyl)-2-(3-pyridinyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dibromo-4-methoxyphenyl)-2-(3-pyridinyl)acrylonitrile",NA,"COC1=C(C=C(C=C1Br)C=C(C#N)C2=CN=CC=C2)Br","ZWJBQAQOHVCMBN-LFYBBSHMSA-N",5467796,NA,"PDBC19434","659319","Present",NA,NA
+"19435","3-(3,5-Dichloro-2-hydroxyphenyl)-1-(3-hydroxyphenyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3,5-dichloro-2-hydroxy-phenyl)-1-(3-hydroxyphenyl)prop-2-en-1-one",NA,"C1=CC(=CC(=C1)O)C(=O)C=CC2=C(C(=CC(=C2)Cl)Cl)O","NPRDILNAKUALDB-SNAWJCMRSA-N",5937876,NA,"PDBC19435","640543","Present",NA,NA
+"19436","3-(3,5-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dichlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde",NA,"C1CN(C(=S)N1C=O)C(=O)C2=CC(=CC(=C2)Cl)Cl","MHMABYFXLVIXMZ-UHFFFAOYSA-N",396751,NA,"PDBC19436","703461","Present",NA,NA
+"19437","3-(3,5-Dichlorophenyl)-2-(2-pyridinyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dichlorophenyl)-2-(2-pyridinyl)acrylonitrile",NA,"C1=CC=NC(=C1)C(=CC2=CC(=CC(=C2)Cl)Cl)C#N","BBOIWJQVQAPMRY-VZUCSPMQSA-N",5467799,NA,"PDBC19437","659323","Present",NA,NA
+"19438","3-(3,5-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dihydroxyphenyl)-N-[2-(3,4-dihydroxyphenyl)ethyl]propanamide",NA,"C1=CC(=C(C=C1CCNC(=O)CCC2=CC(=CC(=C2)O)O)O)O","AFCZPNYGMPSNSS-UHFFFAOYSA-N",389923,NA,"PDBC19438","686576","Present",NA,NA
+"19439","3-(3,5-Dihydroxyphenyl)-N-[2-(3,5-dihydroxyphenyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dihydroxyphenyl)-N-[2-(3,5-dihydroxyphenyl)ethyl]propanamide",NA,"C1=C(C=C(C=C1O)O)CCC(=O)NCCC2=CC(=CC(=C2)O)O","JXQNQSJCCAHWLV-UHFFFAOYSA-N",389925,NA,"PDBC19439","686578","Present",NA,NA
+"19440","3-(3,5-Dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dihydroxyphenyl)-N-[2-(3-hydroxy-5-phenylmethoxyphenyl)ethyl]propanamide",NA,"C1=CC=C(C=C1)COC2=CC(=CC(=C2)O)CCNC(=O)CCC3=CC(=CC(=C3)O)O","LBLVSEHSTPDWOV-UHFFFAOYSA-N",389926,NA,"PDBC19440","686579","Present",NA,NA
+"19441","3-(3,5-Dihydroxyphenyl)-N-[3-[3-(3,5-dihydroxyphenyl)propanoylamino]propyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dihydroxyphenyl)-N-[3-[3-(3,5-dihydroxyphenyl)propanoylamino]propyl]propanamide",NA,"C1=C(C=C(C=C1O)O)CCC(=O)NCCCNC(=O)CCC2=CC(=CC(=C2)O)O","NKLXTYGSFHTYGC-UHFFFAOYSA-N",391001,NA,"PDBC19441","689408","Present",NA,NA
+"19442","3-(3,5-Diisopropylphenoxy)-1,2-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Diisopropylphenoxy)-1,2-propanediol",NA,"CC(C)C1=CC(=CC(=C1)OCC(CO)O)C(C)C","DYCJBGBBAJBZMK-UHFFFAOYSA-N",367040,NA,"PDBC19442","636368","Present",NA,NA
+"19443","3-(3,5-Dimethoxy-4-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dimethoxy-4-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one",NA,"CC1=C(C=C(C=C1OC)C2=COC3=C(C(=C(C=C3C2=O)OC)OC4C(C(C(C(O4)CO)O)O)O)OC)OC","CIIASBKMHVQXKM-UHFFFAOYSA-N",397182,NA,"PDBC19443","704588","Present",NA,NA
+"19444","3-(3,5-Dimethoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dimethoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine",NA,"COC1=CC(=CC(=C1)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N)OC","DKYYDSXSBUVENM-UHFFFAOYSA-N",393436,NA,"PDBC19444","695323","Present",NA,NA
+"19445","3-(3,5-Dimethoxyphenoxy)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dimethoxyphenoxy)quinoxaline-2-carboxylic acid",NA,"COC1=CC(=CC(=C1)OC2=NC3=CC=CC=C3N=C2C(=O)O)OC","RPHWRRHVBIIXMS-UHFFFAOYSA-N",393702,NA,"PDBC19445","696136","Present",NA,NA
+"19446","3-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2-benzisothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2-benzisothiazole",NA,"CC1=CC(=NN1C2=NSC3=CC=CC=C32)C","WWTUVXHOWZIPEU-UHFFFAOYSA-N",374736,NA,"PDBC19446","652928","Present",NA,NA
+"19447","3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide",NA,"CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=CC=C3)C","KXGQCHXNZPKUFM-UHFFFAOYSA-N",386802,NA,"PDBC19447","679510","Present",NA,NA
+"19448","3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide",NA,"CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)OC)C","KEAJVNUOBFUUAU-UHFFFAOYSA-N",386804,NA,"PDBC19448","679512","Present",NA,NA
+"19449","3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C)N=NC3=CC=CC(=C3)C)C","SPEZPHPQXGARGB-UHFFFAOYSA-N",386803,NA,"PDBC19449","679511","Present",NA,NA
+"19450","3-(3,5-Dimethyl-4-isoxazolyl)propyl 6,7,9,10,18,19-hexahydro-17H-dibenzo[b,k][1,4,7,10,13]pentaoxacyclohexadecin-18-yl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dimethyl-4-[3-(2,6,13,16,19-pentaoxatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaen-4-yloxy)propyl]-1,2-oxazole",NA,"CC1=C(C(=NO1)C)CCCOC2COC3=CC=CC=C3OCCOCCOC4=CC=CC=C4OC2","TVRINECRENFBON-UHFFFAOYSA-N",373598,NA,"PDBC19450","650159","Present",NA,NA
+"19451","3-(3,5-Dimethyl-4-phenyldiazenylpyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Dimethyl-4-phenyldiazenylpyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide",NA,"CC1=C(C(=NN1C(=O)CC(=O)NC2=CC(=CC=C2)OC)C)N=NC3=CC=CC=C3","AEMPPWGNTGLVAR-UHFFFAOYSA-N",357544,NA,"PDBC19451","617008","Present",NA,NA
+"19452","3-(3,5-Dimethylpyrazol-1-yl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-methoxyphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)-7H-...",NA,"CC1=CC(=NN1C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)OC)C","NBWLTPLUWUQXDF-UHFFFAOYSA-N",155812962,NA,"PDBC19452","766103","Present",NA,NA
+"19453","3-(3,5-Dimethylpyrazol-1-yl)-6-(4-phenylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Biphenyl-4-yl-3-(3,5-dimethyl-pyr azol-1-yl)-7H-[1,2,4...",NA,"CC1=CC(=NN1C2=NN=C3N2N=C(CS3)C4=CC=C(C=C4)C5=CC=CC=C5)C","GLDAYPXSFRVYSB-UHFFFAOYSA-N",155809908,NA,"PDBC19453","766104","Present",NA,NA
+"19454","3-(3,5-Ditert-butyl-4-hydroxybenzoyl)-3,4-dihydroisochromen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-Ditert-butyl-4-hydroxy-benzoyl)isochroman-1-one",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)C2CC3=CC=CC=C3C(=O)O2","MHFQEJGIVNJHKK-UHFFFAOYSA-N",398887,NA,"PDBC19454","709108","Present",NA,NA
+"19455","3-(3,5-Trimethoxyphenoxy)quinoxaline-5,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4,5-trimethoxyphenoxy)quinoxaline-5,7-diamine",NA,"COC1=CC(=CC(=C1OC)OC)OC2=NC3=C(C=C(C=C3N=C2)N)N","DGMFZYRBEXJBNO-UHFFFAOYSA-N",24205331,NA,"PDBC19455","735155","Present",NA,NA
+"19456","3-(3,5-Trimethoxyphenyl)-4-phenyl-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4,5-trimethoxyphenyl)-4-phenyl-2(5H)-furanone",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(COC2=O)C3=CC=CC=C3","AMVBBIDADWUNEN-UHFFFAOYSA-N",24202904,NA,"PDBC19456","726216","Present",NA,NA
+"19457","3-(3,6-Dimethyl-3,4-dihydrothieno[2,3-d] pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-dichlorobenzyl)-5,6-dimethyl-3,4-dihydrothieno[2,...",NA,"CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=C(C=C3)Cl)Cl)C","ZLFBJEAVHIQAFF-UHFFFAOYSA-N",2077565,NA,"PDBC19457","732897","Present",NA,NA
+"19458","3-(3,6-Dioxo-1H-pyridazin-2-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,6-Dioxo-1H-pyridazin-2-yl)benzonitrile",NA,"C1=CC(=CC(=C1)N2C(=O)C=CC(=O)N2)C#N","IZHOUMYYTKVAJI-UHFFFAOYSA-N",374913,NA,"PDBC19458","653497","Present",NA,NA
+"19459","3-(3,6-Dioxo-1H-pyridazin-2-yl)propanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,6-dioxo-1H-pyridazin-2-yl)propanal",NA,"C1=CC(=O)N(NC1=O)CCC=O","VSYWOROPESYNFP-UHFFFAOYSA-N",366143,NA,"PDBC19459","634470","Present",NA,NA
+"19460","3-(3,7-Diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-dimethoxyphenoxy)quinoxaline-5,7-diamine",NA,"COC1=CC(=CC(=C1)OC2=NC3=C(C=C(C=C3N=C2)N)N)OC","GNHCPIDICVAYEX-UHFFFAOYSA-N",24205330,NA,"PDBC19460","735154","Present",NA,NA
+"19461","3-(3,8-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,8-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;hydrochloride",NA,"CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-].Cl","AJZLREOOQUIXKH-UHFFFAOYSA-N",402565,NA,"PDBC19461","716684","Present",NA,NA
+"19462","3-(3,8-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,8-Dinitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N,N-dimethylpropan-1-amine;oxalic acid",NA,"CN(C)CCCN1C2=C(CCC3=C1C=CC(=C3)[N+](=O)[O-])C=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O","RQGBVEKHRKAKFA-UHFFFAOYSA-N",401799,NA,"PDBC19462","715528","Present",NA,NA
+"19463","3-(3,N-Diethylaminopropylamino)-1,2,4-benzotriazine 1,4-dioxide. 0.33 Hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,N,N-diethylaminopropylamino)-1,2,4-benzotriazine 1,...",NA,"CCN(CC)CCCNC1=[N+](C2=CC=CC=C2[N+](=N1)[O-])[O-]","AAPGFUPMASLWMI-UHFFFAOYSA-N",135503434,NA,"PDBC19463","628916","Present",NA,NA
+"19464","3-(3-((2-Cyanoethyl)-2-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(p-Anilinomalonyl-3-(N-ortho-toluidino-N-.beta.-cyanoe...",NA,"CC1=CC=CC=C1N(CCC#N)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4","XYQIAGRLHLASLR-UHFFFAOYSA-N",365896,NA,"PDBC19464","633977","Present",NA,NA
+"19465","3-(3-((2-Cyanoethyl)-2-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(m-Methoxyanilinomalonyl)-3-(N-ortho-toluidino-N-.beta...",NA,"CC1=CC=CC=C1N(CCC#N)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)OC","KEDIHXWCIDGABT-UHFFFAOYSA-N",365898,NA,"PDBC19465","633979","Present",NA,NA
+"19466","3-(3-((2-Cyanoethyl)-3-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(p-Methoxyanilinomalonyl)-3-(N-meta-toluidino-N-.beta....",NA,"CC1=CC(=CC=C1)N(CCC#N)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)OC","CTCNAYBNPAUSMQ-UHFFFAOYSA-N",365895,NA,"PDBC19466","633976","Present",NA,NA
+"19467","3-(3-((2-Cyanoethyl)-3-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(p-Methylanilinomalonyl)-3-(N-meta toluidino-N-.beta.-...",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=CC(=C3)C)C4=CC=CC=C4","GJKZWIYHBBTBRY-UHFFFAOYSA-N",365894,NA,"PDBC19467","633975","Present",NA,NA
+"19468","3-(3-(1-Pyrrolidinyl)propyl)pyrido[2,3-d]pyrimidin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-(1-Pyrrolidinyl)propyl)pyrido[2,3-d]pyrimidin-4(3H)-one",NA,"C1CCN(C1)CCCN2C=NC3=C(C2=O)C=CC=N3","LZSQJEOOICXMOF-UHFFFAOYSA-N",360826,NA,"PDBC19468","623243","Present",NA,NA
+"19469","3-(3-(2-(1H-Pyrrol-1-yl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-(2-(1H-Pyrrol-1-yl)phenyl)-1,2,4-oxadiazol-5-yl)propanoic acid",NA,"C1=CC=C(C(=C1)C2=NOC(=N2)CCC(=O)O)N3C=CC=C3","JVCZPUTWXTXJRK-UHFFFAOYSA-N",331761,NA,"PDBC19469","326374","Present",NA,NA
+"19470","3-(3-(2-Chloro(2-cyanoethyl)anilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-[2-Chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methoxyphenyl)-3-oxopropanamide",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=CC=C3Cl)C4=CC=CC=C4","CXSHTBUGUPDKAT-UHFFFAOYSA-N",365713,NA,"PDBC19470","633650","Present",NA,NA
+"19471","3-(3-(3-Cycloheptylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-(3-Cycloheptylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione",NA,"C1CCCC(CC1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O","AXNYBYBGUREGTC-UHFFFAOYSA-N",270723,NA,"PDBC19471","113452","Present",NA,NA
+"19472","3-(3-(3-Cyclohexylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-(3-Cyclohexylphenyl)propyl)-2-hydroxynaphthalene-1,4-dione",NA,"C1CCC(CC1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O","ZGXOROLZOSNLNM-UHFFFAOYSA-N",270725,NA,"PDBC19472","113455","Present",NA,NA
+"19473","3-(3-(4-Chloro(2-cyanoethyl)anilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-[4-Chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(3-methoxyphenyl)-3-oxopropanamide",NA,"COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","GLVMVKQHCVTDHW-UHFFFAOYSA-N",365706,NA,"PDBC19473","633643","Present",NA,NA
+"19474","3-(3-(4-Chloro(2-cyanoethyl)anilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-[4-Chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(3-methylphenyl)-3-oxopropanamide",NA,"CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(CC(=N2)N(CCC#N)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","RLBSOYVKPUJZCB-UHFFFAOYSA-N",365708,NA,"PDBC19474","633645","Present",NA,NA
+"19475","3-(3-(4-Morpholinyl)propyl)pyrido[2,3-d]pyrimidin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-(4-Morpholinyl)propyl)pyrido[2,3-d]pyrimidin-4(3H)-one",NA,"C1COCCN1CCCN2C=NC3=C(C2=O)C=CC=N3","GYLGNENYLKGXLZ-UHFFFAOYSA-N",360825,NA,"PDBC19475","623242","Present",NA,NA
+"19476","3-(3-(Benzyloxy)-1-octenyl)-2-(3-(trimethylsilyl)-2-propynyl)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-(Benzyloxy)-1-octenyl)-2-(3-(trimethylsilyl)-2-propynyl)cyclopentanone",NA,"CCCCCC(C=CC1CCC(=O)C1CC#C[Si](C)(C)C)OCC2=CC=CC=C2","WVUUQBFLECODFZ-FBMGVBCBSA-N",5469504,NA,"PDBC19476","689223","Present",NA,NA
+"19477","3-(3-(Dihydroxyoxidostibino)phenyl)-2-propenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-stibonophenyl)acrylic acid",NA,"C1=CC(=CC(=C1)[Sb](=O)(O)O)C=CC(=O)O","ZTQRMGDLUGQTTF-MNPOOLNOSA-L",5351653,NA,"PDBC19477","13778","Present",NA,NA
+"19478","3-(3-(Diphenylamino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxo-N-p-tolylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-(Diphenylamino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-y...",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","YUXMPAJDTCEKKF-UHFFFAOYSA-N",389690,NA,"PDBC19478","686233","Present",NA,NA
+"19479","3-(3-(Hydroxy(oxido)amino)phenyl)-2-(4-methylphenyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(3-nitrophenyl)-2-(p-tolyl)prop-2-enenitrile",NA,"CC1=CC=C(C=C1)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C#N","PJJARSYRNWSUPJ-OQLLNIDSSA-N",5394938,NA,"PDBC19479","201980","Present",NA,NA
+"19480","3-(3-(Trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-(Trifluoromethyl)phenyl)naphtho[1,2-c]furan-1(3H)-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C(=O)OC3C4=CC(=CC=C4)C(F)(F)F","VCUNDCKCTUJNHO-UHFFFAOYSA-N",362069,NA,"PDBC19480","625592","Present",NA,NA
+"19481","3-(3-Amino-4-cyano-7-nitro-1-oxo-2-isoquinolyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Amino-4-cyano-7-nitro-1-oxo-2-isoquinolyl)benzoic acid",NA,"C1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N)C(=O)O","RPKZMVGIMOHHOB-UHFFFAOYSA-N",391667,NA,"PDBC19481","691209","Present",NA,NA
+"19482","3-(3-Amino-7-nitro-1-oxo-4-phenyl-2-isoquinolyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Amino-7-nitro-1-oxo-4-phenyl-2-isoquinolyl)benzoic acid",NA,"C1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)O)N","ITUFEOCGTCCKPM-UHFFFAOYSA-N",392506,NA,"PDBC19482","693023","Present",NA,NA
+"19483","3-(3-Aminopropoxy)-N-[2-(3-aminopropoxy)-4-chlorophenyl)-2-naphthamide dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Aminopropoxy)-N-[2-(3-aminopropoxy)-4-chlorophenyl)...",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=C(C=C(C=C3)Cl)OCCCN)OCCCN.Cl","WYUGCAFLNYEFJT-UHFFFAOYSA-N",54613722,NA,"PDBC19483","751299","Present",NA,NA
+"19484","3-(3-Azidophenyl)-6-chloro-pyridazin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Azidophenyl)-6-chloro-pyridazin-4-ol",NA,"C1=CC(=CC(=C1)N=[N+]=[N-])C2=NNC(=CC2=O)Cl","HFEQFWQSGPCGAK-UHFFFAOYSA-N",3000772,NA,"PDBC19484","654615","Present",NA,NA
+"19485","3-(3-Benzyl-4,9-dioxobenzo[f]benzimidazol-2-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Benzyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)propanoic acid",NA,"C1=CC=C(C=C1)CN2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCC(=O)O","IMZRLAHDYYJQPB-UHFFFAOYSA-N",382888,NA,"PDBC19485","670765","Present",NA,NA
+"19486","3-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Bromo-2,5-dichloro-6-hydroxyphenyl)-2-(3-chlorophenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)C3=C(C(=CC(=C3Cl)Br)Cl)O","KRJGCFSTINCXKJ-UHFFFAOYSA-N",403485,NA,"PDBC19486","718386","Present",NA,NA
+"19487","3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Bromo-4-hydroxy-5-methoxyphenyl)-2-(2-pyridinyl)acrylonitrile",NA,"COC1=C(C(=CC(=C1)C=C(C#N)C2=CC=CC=N2)Br)O","TXIWYRNROHWKHD-IZZDOVSWSA-N",135499406,NA,"PDBC19487","659325","Present",NA,NA
+"19488","3-(3-Bromophenyl)-1-(thiophen-2-yl)prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Bromophenyl)-1-(thiophen-2-yl)prop-2-en-1-one",NA,"C1=CC(=CC(=C1)Br)C=CC(=O)C2=CC=CS2","QUMOQWJJKQQXSW-VOTSOKGWSA-N",5467676,NA,"PDBC19488","657736","Present",NA,NA
+"19489","3-(3-Bromophenyl)-2,3-dihydropyrrolizin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Bromophenyl)-2,3-dihydropyrrolizin-1-one",NA,"C1C(N2C=CC=C2C1=O)C3=CC(=CC=C3)Br","HHJNWVACIPCECX-UHFFFAOYSA-N",389727,NA,"PDBC19489","686319","Present",NA,NA
+"19490","3-(3-Bromophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Bromophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile",NA,"C1=CC=C2C(=C1)C(=O)NC(=N2)C(=CC3=CC(=CC=C3)Br)C#N","IMXUTGLJHOWVAQ-XYOKQWHBSA-N",135454446,NA,"PDBC19490","684966","Present",NA,NA
+"19491","3-(3-Butenyl)-3-methyl-2-piperidinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Butenyl)-3-methyl-2-piperidinethione",NA,"CC1(CCCNC1=S)CCC=C","OAAZABZLWGVRIO-UHFFFAOYSA-N",3004385,NA,"PDBC19491","649427","Present",NA,NA
+"19492","3-(3-Carboxyphenyl)arsanylidenearsanylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-92896",NA,"C1=CC(=CC(=C1)[As]=[As]C2=CC=CC(=C2)C(=O)O)C(=O)O","OFOFKDIEWPDSJN-UHFFFAOYSA-N",261036,NA,"PDBC19492","92896","Present",NA,NA
+"19493","3-(3-Chloro-1,4-dihydronaphthalen-2-yl)-2-methylacrylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2-meth...",NA,"CC(=CC1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)O","IEEMCGPTKHURAP-VOTSOKGWSA-N",25235426,NA,"PDBC19493","742628","Present",NA,NA
+"19494","3-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"C1=CC=C(C(=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)Cl","UTFVGRNGKLFYML-UHFFFAOYSA-N",373568,NA,"PDBC19494","650021","Present",NA,NA
+"19495","3-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"C1=CC=C(C(=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)O","CHXUHSDBJMLMFR-UHFFFAOYSA-N",373561,NA,"PDBC19495","650014","Present",NA,NA
+"19496","3-(3-Chloro-2-(2-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(2-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"COC1=CC=CC=C1C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl","YCXFIXDXBTYKGW-UHFFFAOYSA-N",373566,NA,"PDBC19496","650019","Present",NA,NA
+"19497","3-(3-Chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"COC1=C(C=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)OC","VYZNKZKKZRBCNW-UHFFFAOYSA-N",373570,NA,"PDBC19497","650023","Present",NA,NA
+"19498","3-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=C(C(=CC(=C4)Br)Br)O","YIMYRGPQEMTRNW-UHFFFAOYSA-N",373573,NA,"PDBC19498","650026","Present",NA,NA
+"19499","3-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC(=CC=C4)O","QHWVJCXJMUIIBL-UHFFFAOYSA-N",373562,NA,"PDBC19499","650015","Present",NA,NA
+"19500","3-(3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC=C(C=C4)Cl","LNRZYBWNRWQHSW-UHFFFAOYSA-N",373569,NA,"PDBC19500","650022","Present",NA,NA
+"19501","3-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"COC1=C(C=CC(=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl)O","FJQMRKUEMXWJCB-UHFFFAOYSA-N",373571,NA,"PDBC19501","650024","Present",NA,NA
+"19502","3-(3-Chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC=C(C=C4)O","COTLDAKFTKSEJL-UHFFFAOYSA-N",373563,NA,"PDBC19502","650016","Present",NA,NA
+"19503","3-(3-Chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"COC1=CC=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl","BVHLLBBUFQPKTO-UHFFFAOYSA-N",373567,NA,"PDBC19503","650020","Present",NA,NA
+"19504","3-(3-Chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)-4(3H)-quinazolinone",NA,"CC1=CC=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl","NVUKHYBENWSVTK-UHFFFAOYSA-N",373574,NA,"PDBC19504","650027","Present",NA,NA
+"19505","3-(3-Chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)-1-azetidinyl)-4(3H)-quinazolinone",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl","KFYHYCDSWCLYFV-UHFFFAOYSA-N",373575,NA,"PDBC19505","650028","Present",NA,NA
+"19506","3-(3-Chloro-2-oxo-4-phenyl-1-azetidinyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-2-oxo-4-phenyl-1-azetidinyl)-4(3H)-quinazolinone",NA,"C1=CC=C(C=C1)C2C(C(=O)N2N3C=NC4=CC=CC=C4C3=O)Cl","HLHROVPJYKTBGW-UHFFFAOYSA-N",373560,NA,"PDBC19506","650013","Present",NA,NA
+"19507","3-(3-Chloro-4-(4-chlorophenoxy)phenyl)-2-(3-ethoxy-4-hydroxyphenyl)thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-chloro-4-(4-chlorophenoxy)phenyl)-2-(3-ethoxy-4-hyd...",NA,"CCOC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl)O","SCGFLTYLAYNBQI-UHFFFAOYSA-N",392954,NA,"PDBC19507","694168","Present",NA,NA
+"19508","3-(3-Chloro-4-fluorophenyl)-6-(3,5-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-4-fluorophenyl)-6-(3,5-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC(=C(C=C1C2=NN=C3N2N=C(S3)C4=CC(=CC(=C4)Cl)Cl)Cl)F","FSBQPZATLUQZPD-UHFFFAOYSA-N",24205556,NA,"PDBC19508","736157","Present",NA,NA
+"19509","3-(3-Chloro-4-fluorophenyl)-6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-4-fluorophenyl)-6-(3-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC(=CC(=C1)Cl)C2=NN3C(=NN=C3S2)C4=CC(=C(C=C4)F)Cl","ZFQWZOAIQSQOQT-UHFFFAOYSA-N",24205558,NA,"PDBC19509","736159","Present",NA,NA
+"19510","3-(3-Chloro-4-fluorophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-4-fluorophenyl)-6-(4-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC(=CC=C1C2=NN3C(=NN=C3S2)C4=CC(=C(C=C4)F)Cl)F","LQHKWMOLKUPLJW-UHFFFAOYSA-N",24205555,NA,"PDBC19510","736156","Present",NA,NA
+"19511","3-(3-Chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC(=C(C=C4)F)Cl","PEFNTVHMNXHEIS-UHFFFAOYSA-N",24205559,NA,"PDBC19511","736160","Present",NA,NA
+"19512","3-(3-Chloro-4-fluorophenyl)-6-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-4-fluorophenyl)-6-(4-methylsulfanylphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CSC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=CC(=C(C=C4)F)Cl","RMWIRAPIZSYYQR-UHFFFAOYSA-N",24205560,NA,"PDBC19512","736161","Present",NA,NA
+"19513","3-(3-Chloro-4-fluorophenyl)-6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-4-fluorophenyl)-6-[(2-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC=C(C(=C1)OCC2=NN3C(=NN=C3S2)C4=CC(=C(C=C4)F)Cl)Cl","XPUQYIKMIZJWLW-UHFFFAOYSA-N",24205557,NA,"PDBC19513","736158","Present",NA,NA
+"19514","3-(3-Chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,"COC1=C(C=C(C=C1)N2C=C(NC2=O)C3=CC(=C(C(=C3)OC)OC)OC)Cl","LHLCEHKYUBLTRY-UHFFFAOYSA-N",44446874,NA,"PDBC19514","740258","Present",NA,NA
+"19515","3-(3-Chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione",NA,"COC1=C(C=C(C=C1)N2C=C(NC2=S)C3=CC(=C(C(=C3)OC)OC)OC)Cl","SPVTWWYLWLURQD-UHFFFAOYSA-N",44446878,NA,"PDBC19515","740256","Present",NA,NA
+"19516","3-(3-Chloro-4-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-4-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione",NA,"COC1=C(C=C(C=C1)C2=CN(C(=S)N2)C3=CC(=C(C=C3)OC)Cl)OC","ZCSHQSVJHFMQGA-UHFFFAOYSA-N",44446880,NA,"PDBC19516","740264","Present",NA,NA
+"19517","3-(3-Chloro-4-methoxyphenyl)-5-(4-chlorophenyl)-1H-imidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chloro-4-methoxyphenyl)-5-(4-chlorophenyl)-1H-imidazole-2-thione",NA,"COC1=C(C=C(C=C1)N2C=C(NC2=S)C3=CC=C(C=C3)Cl)Cl","SPLZBLLZYMAVHF-UHFFFAOYSA-N",44446881,NA,"PDBC19517","740255","Present",NA,NA
+"19518","3-(3-Chloro-4-methoxyphenyl)-N-(2-(dimethylamino)ethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-chloro-4-methoxyphenyl)-N-(2-(dimethylamino)ethyl)-...",NA,"CN(C)CCNC(=O)N1C=C(C(=N1)C2=CC(=C(C=C2)OC)Cl)C3=CC=NC=C3","ROMMIUKVIGYOPW-UHFFFAOYSA-N",60147896,NA,"PDBC19518","752885","Present",NA,NA
+"19519","3-(3-Chloro-5-methoxyphenyl)-N-(2-(4-methylpiperazin-1-yl)ethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-chloro-5-methoxyphenyl)-N-(2-(4-methylpiperazin-1-y...",NA,"CN1CCN(CC1)CCNC(=O)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)OC)C4=CC=NC=C4","KOTQSPVARCRODJ-UHFFFAOYSA-N",51358119,NA,"PDBC19519","752879","Present",NA,NA
+"19520","3-(3-Chloro-5-methoxyphenyl)-N-(2-morpholinoethyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-chloro-5-methoxyphenyl)-N-(2-morpholinoethyl)-4-(py...",NA,"COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C(=O)NCCN4CCOCC4)Cl","DWMMTUPPTGCVOI-UHFFFAOYSA-N",53483547,NA,"PDBC19520","752878","Present",NA,NA
+"19521","3-(3-Chlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide",NA,"C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC(=CC=C4)Cl","WVCZBVOCPXGWIU-UHFFFAOYSA-N",401412,NA,"PDBC19521","715064","Present",NA,NA
+"19522","3-(3-Chlorophenyl)-1-(3-methoxypropyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-1-(3-methoxypropyl)-1-[(3,4,5-trimethoxyphenyl)methyl]thiourea",NA,"COCCCN(CC1=CC(=C(C(=C1)OC)OC)OC)C(=S)NC2=CC(=CC=C2)Cl","BGYICCOYBKZBLJ-UHFFFAOYSA-N",2803722,NA,"PDBC19522","310357","Present",NA,NA
+"19523","3-(3-Chlorophenyl)-2,3-dihydropyrrolizin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-2,3-dihydropyrrolizin-1-one",NA,"C1C(N2C=CC=C2C1=O)C3=CC(=CC=C3)Cl","ZAHYZMGPYOKOMJ-UHFFFAOYSA-N",389725,NA,"PDBC19523","686317","Present",NA,NA
+"19524","3-(3-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=CC(=CC=C4)Cl","BDYUENCUGFQKDI-UHFFFAOYSA-N",375558,NA,"PDBC19524","655346","Present",NA,NA
+"19525","3-(3-Chlorophenyl)-2-(2,6-dichlorophenyl)-1,2-dihydro-[1,2,4]triazolo[5,1-b]quinazolin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-2-(2,6-dichlorophenyl)-2,3-dihydro[1,2,4]triazolo[5,1-b]quinazolin-9(1h)-one",NA,"C1=CC=C2C(=C1)C(=O)N3C(=N2)N(C(N3)C4=C(C=CC=C4Cl)Cl)C5=CC(=CC=C5)Cl","NPEHKOSMKFKFBS-UHFFFAOYSA-N",402185,NA,"PDBC19525","716049","Present",NA,NA
+"19526","3-(3-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC(=CC=C3)Cl","GEDUCXOUSJWCQR-UHFFFAOYSA-N",396382,NA,"PDBC19526","702335","Present",NA,NA
+"19527","3-(3-Chlorophenyl)-6-(pyrrolidine-1-yl)pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione",NA,"C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl","OEZWXQFUKZOWOE-UHFFFAOYSA-N",396881,NA,"PDBC19527","703908","Present",NA,NA
+"19528","3-(3-Chlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC(=CC=C3)Cl)N)[O-]","BTVSBFMPXXOVEM-UHFFFAOYSA-N",135435946,NA,"PDBC19528","621733","Present",NA,NA
+"19529","3-(3-Chlorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Chlorophenyl)-6-morpholino-1h-pyrimidine-2,4-dione",NA,"C1COCCN1C2=CC(=O)N(C(=O)N2)C3=CC(=CC=C3)Cl","JQOJAERMIYJXLC-UHFFFAOYSA-N",396884,NA,"PDBC19529","703911","Present",NA,NA
+"19530","3-(3-Fluorophenyl)-N-pyridin-3-yl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Fluorophenyl)-N-pyridin-3-yl-2H-pyrazolo[3,4-d][1,3]thiazol-5-amine",NA,"C1=CC(=CC(=C1)F)C2=C3C(=NN2)N=C(S3)NC4=CN=CC=C4","WODVYHUXBKCERC-UHFFFAOYSA-N",60147811,NA,"PDBC19530","752461","Present",NA,NA
+"19531","3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Hydroxy-4-methoxybenzyl)-5,7-dihydroxychroman-4-one",NA,"COC1=C(C=C(C=C1)CC2COC3=CC(=CC(=C3C2=O)O)O)O","WIBOONWRYQFYQJ-UHFFFAOYSA-N",404571,NA,"PDBC19531","720872","Present",NA,NA
+"19532","3-(3-Hydroxy-4-oxo-4H-pyran-2-yl)-2-(methylhydrazono)-N-(2-methylphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Hydroxy-4-oxo-4H-pyran-2-yl)-2-(methylhydrazono)-N-(2-methylphenyl)propanamide",NA,"CC1=CC=CC=C1NC(=O)C(=NNC)CC2=C(C(=O)C=CO2)O","VCJOLTSYSKCKCS-UNOMPAQXSA-N",5918280,NA,"PDBC19532","641438","Present",NA,NA
+"19533","3-(3-Hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxo-N-(2,4,5-trichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxo-N-(2,4,5-trichlorophenyl)propanamide",NA,"C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(=N2)CC(=O)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl","LIHHEZRADIVIOJ-UHFFFAOYSA-N",372924,NA,"PDBC19533","648636","Present",NA,NA
+"19534","3-(3-Hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)phenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Hydroxy-6-nitro-quinoxalin-2-yl)-N-(2-nitrophenyl)-2-oxo-propanamide",NA,"C1=CC=C(C(=C1)NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)[N+](=O)[O-]","PNHQNBDCSFFZGR-UHFFFAOYSA-N",372134,NA,"PDBC19534","647088","Present",NA,NA
+"19535","3-(3-Hydroxynaphthalen-2-yl)-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydro-3-(3-hydroxy-2-naphthyl)-4-(4-phenethyl)-5H-...",NA,"C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC4=CC=CC=C4C=C3O","OZNZCSZBCVBMEL-UHFFFAOYSA-N",135427944,NA,"PDBC19535","729054","Present",NA,NA
+"19536","3-(3-Hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide",NA,"C1=CC(=CC(=C1)O)CCC(=O)NCCC2=CC(=CC=C2)O","CJHLDWDNRLAIBW-UHFFFAOYSA-N",387945,NA,"PDBC19536","682296","Present",NA,NA
+"19537","3-(3-Hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide",NA,"C1=CC(=CC(=C1)O)CCC(=O)NCCC2=CC=C(C=C2)O","WUQSWVZMASPYIU-UHFFFAOYSA-N",387941,NA,"PDBC19537","682292","Present",NA,NA
+"19538","3-(3-Hydroxyphenyl)-N-[3-[3-(3-hydroxyphenyl)propanoylamino]propyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Hydroxyphenyl)-N-[3-[3-(3-hydroxyphenyl)propanoylamino]propyl]propanamide",NA,"C1=CC(=CC(=C1)O)CCC(=O)NCCCNC(=O)CCC2=CC(=CC=C2)O","DGDCESNTXUUFGQ-UHFFFAOYSA-N",391000,NA,"PDBC19538","689407","Present",NA,NA
+"19539","3-(3-Methoxyphenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide",NA,"COC1=CC=CC(=C1)N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","OJQZFVQBYOKAAR-UHFFFAOYSA-N",401415,NA,"PDBC19539","715067","Present",NA,NA
+"19540","3-(3-Methoxyphenyl)-2,3-dihydropyrrolizin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Methoxyphenyl)-2,3-dihydropyrrolizin-1-one",NA,"COC1=CC=CC(=C1)C2CC(=O)C3=CC=CN23","PXNKOVHOTUECSV-UHFFFAOYSA-N",389728,NA,"PDBC19540","686320","Present",NA,NA
+"19541","3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one",NA,"COC1=CC=CC(=C1)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","XATBKGGKQDOQRD-UHFFFAOYSA-N",396392,NA,"PDBC19541","702345","Present",NA,NA
+"19542","3-(3-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC=CC(=C1)N2C(SCC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","GQCBISGYJDLWFS-UHFFFAOYSA-N",401408,NA,"PDBC19542","715060","Present",NA,NA
+"19543","3-(3-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Methoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine",NA,"COC1=CC=CC(=C1)N2C3=NC(=NC(=C3N=N2)N)N","JAMCVWXBRGICRC-UHFFFAOYSA-N",390792,NA,"PDBC19543","688726","Present",NA,NA
+"19544","3-(3-Methyl-1,4-dioxo-1,4-dihydronaphthalene-2-ylthio)propionic acid 1-(tert-butylcarbamoyl)-2-(3-methyl-1,4-dioxo-1,4-dihydronaphthalene-2-ylseleno)ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Tert-butylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanyl-1-oxopropan-2-yl] 3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanylpropanoate",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)OC(C[Se]C3=C(C(=O)C4=CC=CC=C4C3=O)C)C(=O)NC(C)(C)C","OENZOXTWQKCLNF-UHFFFAOYSA-N",44226336,NA,"PDBC19544","748881","Present",NA,NA
+"19545","3-(3-Methylbut-2-enoyl)-4-oxido-quinoxalin-4-ium-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Methylbut-2-enoyl)-4-oxido-quinoxalin-4-ium-2-carboxylic acid",NA,"CC(=CC(=O)C1=[N+](C2=CC=CC=C2N=C1C(=O)O)[O-])C","IBYBVTFKDRUUPA-UHFFFAOYSA-N",494407,NA,"PDBC19545","622323","Present",NA,NA
+"19546","3-(3-Methylsulfanyl-[1,4]thiadiazol-5-ylsulfanyl)-1-p-toly l-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Methylsulfanyl-[1,2,4]thiadiazol-5-ylsulfanyl)-1-p-...",NA,"CC1=CC=C(C=C1)C(=O)C=CSC2=NC(=NS2)SC","RMLOFBYQHKHRND-FPLPWBNLSA-N",24203484,NA,"PDBC19546","728219","Present",NA,NA
+"19547","3-(3-N,2,4-Benzotriazine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-N,N-diethylaminopropylamino)-1,2,4-benzotriazine 1-...",NA,"CCN(CC)CCCNC1=NC2=CC=CC=C2[N+](=N1)[O-]","FUGGBXZMVXSBRQ-UHFFFAOYSA-N",6711499,NA,"PDBC19547","628912","Present",NA,NA
+"19548","3-(3-Nitrophenyl)-1-phenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Nitrophenyl)-1-phenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole",NA,"C1C2C(C3=CC=CC=C3O1)N(N=C2C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5","POMPFSPBIKPLIR-UHFFFAOYSA-N",371907,NA,"PDBC19548","646491","Present",NA,NA
+"19549","3-(3-Nitrophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Nitrophenyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole",NA,"C1CC2C(C1)ON=C2C3=CC(=CC=C3)[N+](=O)[O-]","HYXSUUJIDDVYQH-UHFFFAOYSA-N",368758,NA,"PDBC19549","639912","Present",NA,NA
+"19550","3-(3-Nitrophenyl)-6-(4-nitrophenyl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Nitrophenyl)-6-(4-nitrophenyl)-5,6-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN=C3N2NC(S3)C4=CC=C(C=C4)[N+](=O)[O-]","RYJHAYDJKMODAP-UHFFFAOYSA-N",400459,NA,"PDBC19550","712196","Present",NA,NA
+"19551","3-(3-Oxo-1,2-dihydroinden-5-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-oxoindan-5-yl)propanoic acid",NA,"C1CC(=O)C2=C1C=CC(=C2)CCC(=O)O","ZFHOMCHOKGGURG-UHFFFAOYSA-N",384705,NA,"PDBC19551","674941","Present",NA,NA
+"19552","3-(3-Oxo-1-azabicyclo[2.2.2]oct-2-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Oxo-1-azabicyclo[2.2.2]oct-2-yl)propanoic acid",NA,"C1CN2CCC1C(=O)C2CCC(=O)O","JMELQOORLUXDCU-UHFFFAOYSA-N",379669,NA,"PDBC19552","664547","Present",NA,NA
+"19553","3-(3-Pyridyl)-6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazole-5-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate",NA,"COC(=O)C1CCC2=NN=C(N12)C3=CN=CC=C3","LQSHBPSAYPMQOD-UHFFFAOYSA-N",366806,NA,"PDBC19553","635578","Present",NA,NA
+"19554","3-(3-{4-[(Heptan-4-yl)oxy]phenyl}propyl)-4-hydroxynaphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 2-hydroxy-3-[3-[4-(1-propyl-butoxy...",NA,"CCCC(CCC)OC1=CC=C(C=C1)CCCC2=C(C3=CC=CC=C3C(=O)C2=O)O","OYUFWZISHLYUCO-UHFFFAOYSA-N",45028329,NA,"PDBC19554","742233","Present",NA,NA
+"19555","3-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenol",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC(=CC=C4)O","YVSMVNPXTNBYHV-UHFFFAOYSA-N",362623,NA,"PDBC19555","626764","Present",NA,NA
+"19556","3-(4'-(2-(2,3-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,3-Dimethoxyphenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,"COC1=CC=CC(=C1OC)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","HHAQKOZJVVKVLZ-UHFFFAOYSA-N",384557,NA,"PDBC19556","674571","Present",NA,NA
+"19557","3-(4'-(2-(2-Hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxyphenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","TYHGMDHBJYGUHH-UHFFFAOYSA-N",384545,NA,"PDBC19557","674559","Present",NA,NA
+"19558","3-(4'-(2-(2-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyphenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,"COC1=CC=CC=C1C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","HWUFHERXCWEJJX-UHFFFAOYSA-N",384556,NA,"PDBC19558","674570","Present",NA,NA
+"19559","3-(4'-(2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-Dimethoxyphenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,"COC1=C(C=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7)OC","CSMSXQHOZPHHBC-UHFFFAOYSA-N",384550,NA,"PDBC19559","674564","Present",NA,NA
+"19560","3-(4'-(2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chlorophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","VGSHYVIJNDVUFN-UHFFFAOYSA-N",384552,NA,"PDBC19560","674566","Present",NA,NA
+"19561","3-(4'-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","JWZGNRBHRFONQU-UHFFFAOYSA-N",384558,NA,"PDBC19561","674572","Present",NA,NA
+"19562","3-(4'-(2-(4-Hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Hydroxy-3-methoxyphenyl)-3-[4-[4-(4-oxo-2-phenylquinazolin-3-yl)phenyl]phenyl]-1,3-thiazolidin-4-one",NA,"COC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7)O","TVRGVWFTEIFEHA-UHFFFAOYSA-N",384559,NA,"PDBC19562","674573","Present",NA,NA
+"19563","3-(4'-(2-(4-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methoxyphenyl)-3-[4-[4-(4-oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]thiazolidin-4-one",NA,"COC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","GNXMXORDCSEAIQ-UHFFFAOYSA-N",384549,NA,"PDBC19563","674563","Present",NA,NA
+"19564","3-(4'-(2-(4-Methylphenyl)-4-oxo-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-(p-tolyl)thiazolidin-4-one",NA,"CC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","ALTFZRHJZWKTNP-UHFFFAOYSA-N",384548,NA,"PDBC19564","674562","Present",NA,NA
+"19565","3-(4'-(3-Oxo-2,4,5-triphenyl-1,4-cyclopentadien-1-yl)[1,1'-biphenyl]-4-yl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[4-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one",NA,"C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)C4=CC=C(C=C4)C5=C(C(=O)C(=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","BCZAREHQAGMISD-UHFFFAOYSA-N",366054,NA,"PDBC19565","634228","Present",NA,NA
+"19566","3-(4'-(4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","JOCAIIVMSZKDFV-UHFFFAOYSA-N",384551,NA,"PDBC19566","674565","Present",NA,NA
+"19567","3-(4'-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4'-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)[1,1'-biphenyl]-4-yl)-2-phenyl-4(3H)-quinazolinone",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","ZWRYQTGAFDQLJV-UHFFFAOYSA-N",384547,NA,"PDBC19567","674561","Present",NA,NA
+"19568","3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinecarbaldehyde oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridinecarbaldehyde oxime",NA,"CC1(COC(=N1)C2=C(N=CC=C2)C=NO)C","AWAKNJYEGAZFLD-AWNIVKPZSA-N",135499207,NA,"PDBC19568","644867","Present",NA,NA
+"19569","3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N-(3-phenylpropoxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N-(3-phenylpropoxy)propanamide",NA,"C1=CC=C(C=C1)CCCONC(=O)CCN2C(=O)C(=C(C(=O)N2)Cl)Cl","GYSGZQRJZQQJNK-UHFFFAOYSA-N",365841,NA,"PDBC19569","633916","Present",NA,NA
+"19570","3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4,5-Dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanenitrile",NA,"C(CN1C(=O)C(=C(C(=O)N1)Cl)Cl)C#N","KBEXTWHQQFQCHL-UHFFFAOYSA-N",365854,NA,"PDBC19570","633928","Present",NA,NA
+"19571","3-(4,5-Dichloro-3,6-dioxo-3,6-dihydro-1(2H)-pyridazinyl)-N-hydroxypropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4,5-Dichloro-3,6-dioxo-3,6-dihydro-1(2H)-pyridazinyl)-N-hydroxypropanamide",NA,"C(CN1C(=O)C(=C(C(=O)N1)Cl)Cl)C(=O)NO","SYJBUAIWHGLQLM-UHFFFAOYSA-N",364793,NA,"PDBC19571","631552","Present",NA,NA
+"19572","3-(4,5-Dihydro-2H-benzo[g]indazol-3-yl)-4,5-dihydro-2H-benzo[g]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4,5-Dihydro-2H-benzo[g]indazol-3-yl)-4,5-dihydro-2H-benzo[g]indazole",NA,"C1CC2=C(NN=C2C3=CC=CC=C31)C4=C5CCC6=CC=CC=C6C5=NN4","JNMBAEDGUYZRTI-UHFFFAOYSA-N",340788,NA,"PDBC19572","371869","Present",NA,NA
+"19573","3-(4,5-Dihydroxy-6-methyloxan-2-yl)-13-(2-morpholin-4-ylethyl)-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(morpholin-4-yl)ethyl]-L-olivosyl-AF (1N)",NA,"CC1C(C(CC(O1)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)CCN8CCOCC8)O)O","VWVOCUIMPBCGSR-UHFFFAOYSA-N",155806272,NA,"PDBC19573","782954","Present",NA,NA
+"19574","3-(4,5-Dimethylbenzo(h)-1,6-naphthyridin-2-yl)-2-methylquinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinolinamine, 3-(4,5-dimethylbenzo[h]-1,6-naphthyridi...",NA,"CC1=CC(=NC2=C1C(=NC3=CC=CC=C32)C)C4=C(C5=CC=CC=C5N=C4C)N","HNAUTBFNKNNXKT-UHFFFAOYSA-N",335629,NA,"PDBC19574","345845","Present",NA,NA
+"19575","3-(4,9-Dioxo-3-phenylbenzo[f]benzimidazol-2-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4,9-Dioxo-1-phenyl-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)propanoic acid",NA,"C1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCC(=O)O","IRLFTYCKEWCNLX-UHFFFAOYSA-N",382886,NA,"PDBC19575","670763","Present",NA,NA
+"19576","3-(4-((2-(Hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyphenyl)-3-[4-[(2-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide",NA,"COC1=CC=CC=C1NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5","LLQYRHHJXMFUCP-UHFFFAOYSA-N",372604,NA,"PDBC19576","647965","Present",NA,NA
+"19577","3-(4-((2-(Hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylphenyl)-3-[4-[(2-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5","LZYQOVFIHFINLY-UHFFFAOYSA-N",372603,NA,"PDBC19577","647964","Present",NA,NA
+"19578","3-(4-((2-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-((2-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4Cl)C5=CC=CC=C5","ZDRKDISPYAFEAA-UHFFFAOYSA-N",370462,NA,"PDBC19578","643593","Present",NA,NA
+"19579","3-(4-((2-Ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-((2-Ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide",NA,"CCOC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC(=C4)C)C5=CC=CC=C5","OCKINMVVEBMOLS-UHFFFAOYSA-N",372599,NA,"PDBC19579","647960","Present",NA,NA
+"19580","3-(4-((2-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(2-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxopropanamide",NA,"CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3OC)C","PGASFVQPYDAJNM-UHFFFAOYSA-N",386797,NA,"PDBC19580","679505","Present",NA,NA
+"19581","3-(4-((2-Methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-((2-Methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide",NA,"CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4OC)C5=CC=CC=C5","UXAGMDVSEDKKFA-UHFFFAOYSA-N",369131,NA,"PDBC19581","640679","Present",NA,NA
+"19582","3-(4-((3,4-Dimethylphenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-((3,4-Dimethylphenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide",NA,"CC1=C(C=C(C=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=CC=C3)C)C","PXOFRWVFQSTSID-UHFFFAOYSA-N",386799,NA,"PDBC19582","679507","Present",NA,NA
+"19583","3-(4-((3,4-Dimethylphenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(3,4-Dimethylphenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-N-(4-methoxyphenyl)-3-oxopropanamide",NA,"CC1=C(C=C(C=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)OC)C)C","ATRWWZLIIDAYME-UHFFFAOYSA-N",386800,NA,"PDBC19583","679508","Present",NA,NA
+"19584","3-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxy-N-methylacrylamide",NA,"CN(C(=O)C=CC1=CC=C(C=C1)OCC2=CC(=CC=C2)Cl)O","NWYOAEXHNMHWPG-JXMROGBWSA-N",5469774,NA,"PDBC19584","692766","Present",NA,NA
+"19585","3-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-((3-Chlorobenzyl)oxy)phenyl)-N-hydroxyacrylamide",NA,"C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)C=CC(=O)NO","FEJIGKVFWRYZHC-RMKNXTFCSA-N",5469773,NA,"PDBC19585","692764","Present",NA,NA
+"19586","3-(4-((4-(3-Oxo-2,4,5-triphenyl-1,4-cyclopentadien-1-yl)phenyl)thio)phenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[4-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]sulfanylphenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one",NA,"C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)SC4=CC=C(C=C4)C5=C(C(=O)C(=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","DCLRTKQYACTLIT-UHFFFAOYSA-N",16129768,NA,"PDBC19586","634229","Present",NA,NA
+"19587","3-(4-((4-(Aminosulfonyl)phenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Methyl-5-oxo-4-[(4-sulfamoylphenyl)diazenyl]-4H-pyrazol-1-yl]-3-oxo-N-phenylpropanamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)CC(=O)NC3=CC=CC=C3","YWQFEYCRQIYCMA-UHFFFAOYSA-N",372590,NA,"PDBC19587","647951","Present",NA,NA
+"19588","3-(4-((4-(Aminosulfonyl)phenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyphenyl)-3-[3-methyl-5-oxo-4-[(4-sulfamoylphenyl)diazenyl]-4H-pyrazol-1-yl]-3-oxopropanamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)CC(=O)NC3=CC=CC=C3OC","KYDNKKWZCGWICK-UHFFFAOYSA-N",372589,NA,"PDBC19588","647950","Present",NA,NA
+"19589","3-(4-((4-(Aminosulfonyl)phenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(3-chlorophenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-3-[3-methyl-5-oxo-4-[(4-sulfamoylphenyl)diazenyl]-4H-pyrazol-1-yl]-3-oxopropanamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C(=O)CC(=O)NC3=CC(=CC=C3)Cl","OHRHOUOFJDCRGR-UHFFFAOYSA-N",372587,NA,"PDBC19589","647948","Present",NA,NA
+"19590","3-(4-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(2-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-3-[4-[(4-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide",NA,"CC1=CC=CC=C1NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5","MJQAMSWGLOTTNK-UHFFFAOYSA-N",372605,NA,"PDBC19590","647966","Present",NA,NA
+"19591","3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide",NA,"COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","JONJGODJNTYZTQ-UHFFFAOYSA-N",383187,NA,"PDBC19591","671308","Present",NA,NA
+"19592","3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-((4-Chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","OJMMMDVCYDKEKS-UHFFFAOYSA-N",370460,NA,"PDBC19592","643591","Present",NA,NA
+"19593","3-(4-((4-Ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-((4-Ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-N-(3-methylphenyl)-3-oxopropanamide",NA,"CCOC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC(=C4)C)C5=CC=CC=C5","BJAQMUQSJYOMHN-UHFFFAOYSA-N",372601,NA,"PDBC19593","647962","Present",NA,NA
+"19594","3-(4-((4-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxo-N-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(4-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxo-N-phenylpropanamide",NA,"CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3)C","SYHABPMUAFSJJO-UHFFFAOYSA-N",386792,NA,"PDBC19594","679500","Present",NA,NA
+"19595","3-(4-((4-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(2-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(4-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxopropanamide",NA,"CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3OC)C","YIGYEWKYMRYGEP-UHFFFAOYSA-N",386794,NA,"PDBC19595","679502","Present",NA,NA
+"19596","3-(4-((4-Ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-N-(4-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(4-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide",NA,"CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=C(C=C3)C)C","SPNIVWLVNYTIJT-UHFFFAOYSA-N",386793,NA,"PDBC19596","679501","Present",NA,NA
+"19597","3-(4-(1-Hydroxy-1-methylpropyl)-1H-1,2,3-triazol-1-yl)benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(1-Hydroxy-1-methylpropyl)-1H-1,2,3-triazol-1-yl)benzenesulfonic acid",NA,"CCC(C)(C1=CN(N=N1)C2=CC(=CC=C2)S(=O)(=O)O)O","HRLIIXTWPBFYTI-UHFFFAOYSA-N",365360,NA,"PDBC19597","632945","Present",NA,NA
+"19598","3-(4-(2-((Tert-Butyl(dimethyl)silyl)oxy)-4-oxocyclopentyl)butyl)-4-isopropylcyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-[4-[3-(4-isopropylcyclohexanony)butyl]]cyclo...",NA,"CC(C)C1CCC(=O)CC1CCCCC2CC(=O)CC2O[Si](C)(C)C(C)(C)C","YFMIIKKOFCPZSV-UHFFFAOYSA-N",496447,NA,"PDBC19598","689227","Present",NA,NA
+"19599","3-(4-(2-(2,3-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-(2,3-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"COC1=CC=CC(=C1OC)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","QBZPCUZXDWNEHH-UHFFFAOYSA-N",384572,NA,"PDBC19599","674586","Present",NA,NA
+"19600","3-(4-(2-(2-Hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-(2-Hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","WPSHKLKNEQMNMT-UHFFFAOYSA-N",384560,NA,"PDBC19600","674574","Present",NA,NA
+"19601","3-(4-(2-(2-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-(2-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"COC1=CC=CC=C1C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","CYJMVQCLZZZIRG-UHFFFAOYSA-N",384571,NA,"PDBC19601","674585","Present",NA,NA
+"19602","3-(4-(2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"COC1=C(C=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6)OC","ZFYSDTDGZJYWPU-UHFFFAOYSA-N",384565,NA,"PDBC19602","674579","Present",NA,NA
+"19603","3-(4-(2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"C1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","MZMJALGIFBEPPO-UHFFFAOYSA-N",384567,NA,"PDBC19603","674581","Present",NA,NA
+"19604","3-(4-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","WVGKBUNWLIAVAN-UHFFFAOYSA-N",384573,NA,"PDBC19604","674587","Present",NA,NA
+"19605","3-(4-(2-(4-Hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-(4-Hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"COC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6)O","CRXISCBBPOEXDT-UHFFFAOYSA-N",384574,NA,"PDBC19605","674588","Present",NA,NA
+"19606","3-(4-(2-(4-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-(4-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"COC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","WTOCTUJOUPZCNG-UHFFFAOYSA-N",384564,NA,"PDBC19606","674578","Present",NA,NA
+"19607","3-(4-(2-(4-Methylphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-(4-Methylphenyl)-4-oxo-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"CC1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","DINPZUYZSFWANO-UHFFFAOYSA-N",384563,NA,"PDBC19607","674577","Present",NA,NA
+"19608","3-(4-(2-Cyanoethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,4-dichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-Cyanoethyl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,4-dichlorophenyl)propanamide",NA,"C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC2=NNC(=S)N2CCC#N","BRZYRZIJZTXGOL-UHFFFAOYSA-N",3004076,NA,"PDBC19608","625835","Present",NA,NA
+"19609","3-(4-(2-Hydroxyethyl)-1-piperazinyl)hexanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(2-Hydroxyethyl)-1-piperazinyl)hexanedinitrile",NA,"C1CN(CCN1CCO)C(CCC#N)CC#N","QPHIDCFLXKAZFO-UHFFFAOYSA-N",379573,NA,"PDBC19609","664260","Present",NA,NA
+"19610","3-(4-(2-Oxo-2-(4-phenyl-1-piperazinyl)ethoxy)phenyl)-1-phenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]phenyl]-1-phenyl-prop-2-en-1-one",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C=CC(=O)C4=CC=CC=C4","FRXRUVNVFQKNNB-DTQAZKPQSA-N",5466903,NA,"PDBC19610","645389","Present",NA,NA
+"19611","3-(4-(3-(4-(3-Oxo-3-phenyl-1-propenyl)phenoxy)propoxy)phenyl)-1-phenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[4-[3-[4-[(E)-3-oxo-3-phenyl-prop-1-enyl]phenoxy]propoxy]phenyl]-1-phenyl-prop-2-en-1-one",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCCOC3=CC=C(C=C3)C=CC(=O)C4=CC=CC=C4","PGRWJZWSBPJOHK-LKNRODPVSA-N",5467237,NA,"PDBC19611","648891","Present",NA,NA
+"19612","3-(4-(4-(3-Oxo-2,4,5-triphenyl-1,4-cyclopentadien-1-yl)benzyl)phenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[[4-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]methyl]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one",NA,"C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)CC4=CC=C(C=C4)C5=C(C(=O)C(=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","UYRJPOGVAFQNTP-UHFFFAOYSA-N",366055,NA,"PDBC19612","634230","Present",NA,NA
+"19613","3-(4-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole",NA,"COC1=CC=C(C=C1)N2C=NN=C2C3=NSC4=CC=CC=C43","YIJFSVQLPSTVEN-UHFFFAOYSA-N",374735,NA,"PDBC19613","652927","Present",NA,NA
+"19614","3-(4-(4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","YJLVFLZMMHOCGQ-UHFFFAOYSA-N",384566,NA,"PDBC19614","674580","Present",NA,NA
+"19615","3-(4-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl)-2-phenyl-4(3H)-quinazolinone",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","RLQWXZKWKSUFNM-UHFFFAOYSA-N",384562,NA,"PDBC19615","674576","Present",NA,NA
+"19616","3-(4-(5,6,7,8-Tetrahydro-1,2,4-benzotriazin-3-yl)butyl)-5,6,7,8-tetrahydro-1,2,4-benzotriazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4-Benzotriazine, 3,3'-(1,4-butanediyl)bis[5,6,7,8-te...",NA,"C1CCC2=C(C1)N=C(N=N2)CCCCC3=NC4=C(CCCC4)N=N3","ZRWCAMFKPMJKTC-UHFFFAOYSA-N",353049,NA,"PDBC19616","600067","Present",NA,NA
+"19617","3-(4-(5-Methoxy-1H-benzo[d]imidazol-2-yl)phenyl)-5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(5-methoxy-1H-benzo[d]imidazol-2-yl)phenyl)-5-(3,4,...",NA,"COC1=CC2=C(C=C1)N=C(N2)C3=CC=C(C=C3)C4=NOC(=N4)C5=CC(=C(C(=C5)OC)OC)OC","QDJALYKFFBNQSC-UHFFFAOYSA-N",118624714,NA,"PDBC19617","761814","Present",NA,NA
+"19618","3-(4-(6-(4-(3-Oxo-2,4,5-triphenyl-1,4-cyclopentadien-1-yl)phenyl)hexyl)phenyl)-2,4,5-triphenyl-2,4-cyclopentadien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[6-[4-(3-Oxo-2,4,5-triphenylcyclopenta-1,4-dien-1-yl)phenyl]hexyl]phenyl]-2,4,5-triphenylcyclopenta-2,4-dien-1-one",NA,"C1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)CCCCCCC4=CC=C(C=C4)C5=C(C(=O)C(=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","UAMDPBYEVJYZAH-UHFFFAOYSA-N",365548,NA,"PDBC19618","633254","Present",NA,NA
+"19619","3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)N)NC(=O)C=CC2=CC=CC=C2","WKVVCKSPVDUDAC-MUXFZUAMSA-N",6477344,NA,"PDBC19619","645674","Present",NA,NA
+"19620","3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(2-chlorophenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(2-chlorophenyl)acrylamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=CC(=O)NC2=CC=CC=C2Cl","RXMFOKVXCVDROK-PKNBQFBNSA-N",5934335,NA,"PDBC19620","641099","Present",NA,NA
+"19621","3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(3-chlorophenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(3-chlorophenyl)acrylamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=CC(=O)NC2=CC(=CC=C2)Cl","NIDJPUMVSVJERZ-CSKARUKUSA-N",6143820,NA,"PDBC19621","641100","Present",NA,NA
+"19622","3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(3-methylphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-N-(3-methylphenyl)acrylamide",NA,"CC1=CC(=CC=C1)NC(=O)C=CC2=C(C=C(C=C2)N(CCC#N)CCC#N)C","BFYFHXVEXSOEFG-PKNBQFBNSA-N",6149003,NA,"PDBC19622","641098","Present",NA,NA
+"19623","3-(4-(Dimethylamino)phenyl)-2-phenylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC15785///NSC636948///2-Propenenitrile, 3-[4-(dimethylamino)phenyl]- 2-phenyl-",NA,"CN(C)C1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2","HYAJIHDALOHMPT-FOWTUZBSSA-N",5377203,NA,"PDBC19623","15785///636948///667261","Present",NA,NA
+"19624","3-(4-(Dimethylamino)phenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(Dimethylamino)phenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione",NA,"CN(C)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)SC2=S","DJWXJQJTFZVOEH-UHFFFAOYSA-N",383237,NA,"PDBC19624","671352","Present",NA,NA
+"19625","3-(4-(Hydroxy(oxido)amino)phenyl)-N-(2-phenyl-3-((triisopropylsilyl)oxy)-2-cyclohexen-1-yl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-Nitrophenyl)-N-[2-phenyl-3-tri(propan-2-yl)silyloxycyclohex-2-en-1-yl]prop-2-enamide",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=C(C(CCC1)NC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3","IRPIUZBTCRUAMV-LVZFUZTISA-N",5468943,NA,"PDBC19625","679540","Present",NA,NA
+"19626","3-(4-Amino-2-anilino-1,3-thiazole-5-carbonyl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Amino-2-anilino-thiazole-5-carbonyl)chromen-2-one",NA,"C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC4=CC=CC=C4OC3=O)N","WZXNMGOIRGCGJJ-UHFFFAOYSA-N",399014,NA,"PDBC19626","709435","Present",NA,NA
+"19627","3-(4-Amino-5-imino-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Amino-5-imino-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide",NA,"C1=CC(=C(C=C1Cl)NC(=O)CCC2=NN=C(N2N)N)Cl","HZQNPMNVGSRMJS-UHFFFAOYSA-N",366860,NA,"PDBC19627","635839","Present",NA,NA
+"19628","3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Aminophenyl)-6-bromo-2-methyl-4(3H)-quinazolinone",NA,"CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)N","IKZNGMCVEWMUAH-UHFFFAOYSA-N",380116,NA,"PDBC19628","665518","Present",NA,NA
+"19629","3-(4-Benzyloxy-3-methoxy-phenyl)-1-(3,4-dimethoxy-phenyl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Benzyloxy-3-methoxy-phenyl)-1-(3,4-dimethoxy-phenyl)-propenone",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)OC","MVZHHFFBTZUAQB-FMIVXFBMSA-N",5999049,NA,"PDBC19629","204992","Present",NA,NA
+"19630","3-(4-Bromo-3-chlorophenyl)-2-sulfanylidene-1,3-thiazinan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromo-3-chlorophenyl)-2-sulfanylidene-1,3-thiazinan-4-one",NA,"C1CSC(=S)N(C1=O)C2=CC(=C(C=C2)Br)Cl","LZPJPWZKPZRBHN-UHFFFAOYSA-N",324618,NA,"PDBC19630","290718","Present",NA,NA
+"19631","3-(4-Bromoanilino)-11-[3-(4-bromoanilino)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-triene-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromoanilino)-11-[3-(4-bromoanilino)-5-sulfanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-trien-11-yl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,6-triene-5-thione",NA,"C1CN(CC2=C1C3=C(NC(=S)N=C3S2)NC4=CC=C(C=C4)Br)N5CCC6=C(C5)SC7=NC(=S)NC(=C67)NC8=CC=C(C=C8)Br","FZPBOJXWEMDOTH-UHFFFAOYSA-N",5470735,NA,"PDBC19631","704850","Present",NA,NA
+"19632","3-(4-Bromoanilino)-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromoanilino)-6-(3,4-dimethoxybenzyl)-1,2,4-triazin-5-ol",NA,"COC1=C(C=C(C=C1)CC2=NN=C(NC2=O)NC3=CC=C(C=C3)Br)OC","XMCQSTRQUCXCTB-UHFFFAOYSA-N",135409050,NA,"PDBC19632","657172","Present",NA,NA
+"19633","3-(4-Bromophenoxy)propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-30619",NA,"C1=CC(=CC=C1OCC(CO)O)Br","FZGZDDRZAZBANV-UHFFFAOYSA-N",113926,NA,"PDBC19633","635830","Present",NA,NA
+"19634","3-(4-Bromophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C3=CC=C(C=C3)Br)[O-]","XZMHMNUFXCZDAV-UHFFFAOYSA-N",135491638,NA,"PDBC19634","621743","Present",NA,NA
+"19635","3-(4-Bromophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid",NA,"C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)I)Br","BCGKXGQZPPCQNA-UHFFFAOYSA-N",336954,NA,"PDBC19635","353283","Present",NA,NA
+"19636","3-(4-Bromophenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-bromophenyl)-7-hydroxycyclohepta-2,4,6-trien-1-one",NA,"C1=CC(=C(C(=O)C=C1)O)C2=CC=C(C=C2)Br","VKXKMUQYQLPIJD-UHFFFAOYSA-N",155813775,NA,"PDBC19636","794226","Present",NA,NA
+"19637","3-(4-Bromophenyl)-2-phenyl-3a,4-dihydro-3H-thiochromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)-2-phenyl-2,3,3a,4-tetrahydrothiochromeno[4,3-c]pyrazole",NA,"C1C2C(N(N=C2C3=CC=CC=C3S1)C4=CC=CC=C4)C5=CC=C(C=C5)Br","AFHSHLMTBPFEII-UHFFFAOYSA-N",403885,NA,"PDBC19637","719469","Present",NA,NA
+"19638","3-(4-Bromophenyl)-3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)-3-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2,2-difluoro-N,N-dimethylpropanamide",NA,"CN1C(=O)C(C(=O)N(C1=O)C)C(C2=CC=C(C=C2)Br)C(C(=O)N(C)C)(F)F","JHYSCKGAWNRZPF-UHFFFAOYSA-N",395448,NA,"PDBC19638","699993","Present",NA,NA
+"19639","3-(4-Bromophenyl)-4,5-diphenyl-1,3-oxazol-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)-4,5-diphenyl-1,3-oxazol-2(3H)-one",NA,"C1=CC=C(C=C1)C2=C(OC(=O)N2C3=CC=C(C=C3)Br)C4=CC=CC=C4","HQKONGPGBABXSG-UHFFFAOYSA-N",394814,NA,"PDBC19639","698616","Present",NA,NA
+"19640","3-(4-Bromophenyl)-5-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)-5-(2-furylmethyl)-1,3,5-thiadiazinane-2-thione",NA,"C1N(CSC(=S)N1C2=CC=C(C=C2)Br)CC3=CC=CO3","KOLDFVMDJNKWBQ-UHFFFAOYSA-N",399775,NA,"PDBC19640","710870","Present",NA,NA
+"19641","3-(4-Bromophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=C(C=C3)Br)N)[O-]","JIZYTQPMPBCPRP-UHFFFAOYSA-N",135495032,NA,"PDBC19641","621721","Present",NA,NA
+"19642","3-(4-Bromophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)-6-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=C(C=C3)Br)N)[O-]","HZOJRMFUCFXRHH-UHFFFAOYSA-N",135503392,NA,"PDBC19642","621734","Present",NA,NA
+"19643","3-(4-Bromophenyl)-7-methoxy-1,1-dimethyl-1H-cyclopenta[b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)-7-methoxy-1,1-dimethyl-1H-cyclopenta[b]quinoxaline",NA,"CC1(C=C(C2=NC3=C(C=C(C=C3)OC)N=C21)C4=CC=C(C=C4)Br)C","HPHBODYRIWRPDA-UHFFFAOYSA-N",387007,NA,"PDBC19643","680320","Present",NA,NA
+"19644","3-(4-Bromophenyl)spiro[6,9-dihydro-4H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)spiro[6,9-dihydro-4H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-8-one",NA,"C1C(=NN=C2N1NC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2)C6=CC=C(C=C6)Br","WSEHWGRLZMPEOM-UHFFFAOYSA-N",135409202,NA,"PDBC19644","666167","Present",NA,NA
+"19645","3-(4-Carboxy-3-hydroxyphenyl)aminomethylene-2-ethoxychroman-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-carboxy-3-hydroxyphenyl)aminomethylene-2-ethoxychro...",NA,"CCOC1C(=CNC2=CC(=C(C=C2)C(=O)O)O)C(=O)C3=CC=CC=C3O1","OHQGTRVJZXNWEV-GXDHUFHOSA-N",3001327,NA,"PDBC19645","731163","Present",NA,NA
+"19646","3-(4-Carboxyanilino)-2-quinoxalinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Carboxyanilino)-2-quinoxalinecarboxylic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)O)C(=O)O","LWQATOCZIYNKOK-UHFFFAOYSA-N",382852,NA,"PDBC19646","670682","Present",NA,NA
+"19647","3-(4-Carboxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Carboxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"C1=CC(=CC=C1C(=O)O)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O","XADYISYHSFTIEF-UHFFFAOYSA-N",389430,NA,"PDBC19647","685512","Present",NA,NA
+"19648","3-(4-Chloro-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chloro-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one",NA,"CC1=C(C=CC(=C1)Cl)C2C3=C(C4=CC=CC=C4C=C3)C(=O)O2","RLYURHIHTZRGEX-UHFFFAOYSA-N",369147,NA,"PDBC19648","640733","Present",NA,NA
+"19649","3-(4-Chloro-3-methylphenoxy)-2-(4-methylphenyl)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chloro-3-methylphenoxy)-2-(4-methylphenyl)-1H-benzo[f][1,3,2]benzoxazaphosphinine 3-oxide",NA,"CC1=CC=C(C=C1)N2CC3=C(C=CC4=CC=CC=C34)OP2(=O)OC5=CC(=C(C=C5)Cl)C","QBNYOUPJZHTFNB-UHFFFAOYSA-N",360393,NA,"PDBC19649","622458","Present",NA,NA
+"19650","3-(4-Chloro-5-methyl-2-propylsulfanylphenyl)sulfonyl-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{[4-Chloro-5-methyl-2-(propylsulfanyl)phenyl]sulfonyl}-1,3-dihydro-2h-imidazol-2-one",NA,"CCCSC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)N2C=CNC2=O","GXSPRSKUNVOYFD-UHFFFAOYSA-N",387407,NA,"PDBC19650","681157","Present",NA,NA
+"19651","3-(4-Chloro-6-phenoxy-1,3,5-triazin-2-yl)-1-phenylindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole, 3-(4-chloro-6-phenoxy-s-triazin-2-yl)-1-phenyl-",NA,"C1=CC=C(C=C1)N2C=C(C3=CC=CC=C32)C4=NC(=NC(=N4)Cl)OC5=CC=CC=C5","REJGCRNOTRCITB-UHFFFAOYSA-N",285449,NA,"PDBC19651","142335","Present",NA,NA
+"19652","3-(4-Chloro-m-tolyloxy)-1,2-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-120291",NA,"CC1=C(C=CC(=C1)OCC(CO)O)Cl","NZGGNOPKFAEZDI-UHFFFAOYSA-N",113940,NA,"PDBC19652","635829","Present",NA,NA
+"19653","3-(4-Chloro-phenoxy)-4-phenyl-7-acetoxy-coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chloro-phenoxy)-4-phenyl-7-acetoxy-coumarin",NA,"CC(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=CC=C4","QNPBKJAMEXFECL-UHFFFAOYSA-N",386367,NA,"PDBC19653","678251","Present",NA,NA
+"19654","3-(4-Chloro-phenoxy)-7-acetoxycoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chloro-phenoxy)-7-acetoxycoumarin",NA,"CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC=C(C=C3)Cl","OZSGZTFBYXXKIX-UHFFFAOYSA-N",386364,NA,"PDBC19654","678248","Present",NA,NA
+"19655","3-(4-Chloro-phenoxy)-7-methoxycoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chloro-phenoxy)-7-methoxycoumarin",NA,"COC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC=C(C=C3)Cl","JJQBRFWMQZJBTL-UHFFFAOYSA-N",386368,NA,"PDBC19655","678252","Present",NA,NA
+"19656","3-(4-Chloro-phenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chloro-phenoxymethyl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"C1C(=NN2C(=NN=C2S1)COC3=CC=C(C=C3)Cl)C4=CC=CC=C4","PFQQNQWWWVYCAW-UHFFFAOYSA-N",367879,NA,"PDBC19656","638045","Present",NA,NA
+"19657","3-(4-Chloro-phenyl)-3-(2,4-d imethyl-phenyl)-propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chloro-phenyl)-3-(2,3-dichloro-phenylsulfanyl)-1-(3...",NA,"CC1=C(C=C(C=C1)C(=O)CC(C2=CC=C(C=C2)Cl)SC3=C(C(=CC=C3)Cl)Cl)C","YOYGQQHSMZPWOZ-UHFFFAOYSA-N",4647106,NA,"PDBC19657","727954","Present",NA,NA
+"19658","3-(4-Chloro-phenyl)-5-nitroquinazoline-2,4(1h,3h)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-5-nitroquinazoline-2,4(1h,3h)-dione",NA,"C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl","FGTVCNWZCQXRPV-UHFFFAOYSA-N",403979,NA,"PDBC19658","719970","Present",NA,NA
+"19659","3-(4-Chloro-phenyl)-6-[5-(4-nitro-phenyl)-furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chloro-phenyl)-6-[5-(4-nitro-phenyl)-furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"C1C(=NN2C(=NN=C2S1)C3=CC=C(C=C3)Cl)C4=CC=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]","HWLDNESYOWAQGS-UHFFFAOYSA-N",367881,NA,"PDBC19659","638047","Present",NA,NA
+"19660","3-(4-Chlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorobenzoyl)-2-thioxoimidazolidine-1-carbaldehyde",NA,"C1CN(C(=S)N1C=O)C(=O)C2=CC=C(C=C2)Cl","ZMJBTULEWBRIOB-UHFFFAOYSA-N",396748,NA,"PDBC19660","703458","Present",NA,NA
+"19661","3-(4-Chlorobenzoyl)propionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AI3-07203",NA,"C1=CC(=CC=C1C(=O)CCC(=O)O)Cl","AHVASTJJVAYFPY-UHFFFAOYSA-N",77604,NA,"PDBC19661","5137","Present",NA,NA
+"19662","3-(4-Chlorobenzoyloxy)-7-(2-chlorophenyl)-1-hydroxy-2,8,9-tetrakis(methoxycarbonyl)bicyclo[3.3.1]non-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorobenzoyloxy)-7-(2-chlorophenyl)-1-hydroxy-2,4,...",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)OC(=O)C3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4Cl","BAUHNBPMZSBCLH-UXPFSPKWSA-N",24204891,NA,"PDBC19662","733345","Present",NA,NA
+"19663","3-(4-Chlorobenzoyloxy)-7-(2-trifluoromethylphenyl)-1-hydroxy-2,8,9-tetrakis(methoxycarbonyl)bicyclo[3.3.1]non-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorobenzoyloxy)-7-(2-trifluoromethylphenyl)-1-hyd...",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)OC(=O)C3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4C(F)(F)F","ONGLEULSQGOKBU-UXPFSPKWSA-N",24204894,NA,"PDBC19663","733348","Present",NA,NA
+"19664","3-(4-Chlorobenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorobenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,"C1=CC=C2C(=C1)C(=O)N3C(=CC4=CC=C(C=C4)Cl)C(=O)NC3=N2","AZBWKYULZOAEOJ-NTEUORMPSA-N",135493947,NA,"PDBC19664","684347","Present",NA,NA
+"19665","3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)-7-methoxy-2H-chromen-2-one",NA,"COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O","UQGFXRSDFDICDR-UHFFFAOYSA-N",395148,NA,"PDBC19665","699448","Present",NA,NA
+"19666","3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenoxy)-4-(4-hydroxyphenyl)chromen-2-one",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O","YPGNQFNOZULWTR-UHFFFAOYSA-N",395146,NA,"PDBC19666","699446","Present",NA,NA
+"19667","3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]-7-methoxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]-7-methoxy-chromen-2-one",NA,"CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC)OC4=CC=C(C=C4)Cl","BONRLZCXTLXLKF-UHFFFAOYSA-N",395152,NA,"PDBC19667","699452","Present",NA,NA
+"19668","3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenoxy)-4-[4-(2-dimethylaminoethyloxy)phenyl]chromen-2-one",NA,"CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=CC=CC=C32)OC4=CC=C(C=C4)Cl","NFSBFQFDOKDHPK-UHFFFAOYSA-N",395150,NA,"PDBC19668","699450","Present",NA,NA
+"19669","3-(4-Chlorophenoxy)-4-hydroxy-7-methoxycoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenoxy)-4-hydroxy-7-methoxycoumarin",NA,"COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=C(C=C3)Cl)O","HRZYIVPBPDIVMV-UHFFFAOYSA-N",54680444,NA,"PDBC19669","678253","Present",NA,NA
+"19670","3-(4-Chlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenoxy)propane-1,2-diyl bis[(4-methylphenyl)carbamate]",NA,"CC1=CC=C(C=C1)NC(=O)OCC(COC2=CC=C(C=C2)Cl)OC(=O)NC3=CC=C(C=C3)C","YSBRQTZWSCEGIV-UHFFFAOYSA-N",366846,NA,"PDBC19670","635823","Present",NA,NA
+"19671","3-(4-Chlorophenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide",NA,"C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl","OGOHZZBNMZQPRK-UHFFFAOYSA-N",401413,NA,"PDBC19671","715065","Present",NA,NA
+"19672","3-(4-Chlorophenyl)-1,2-diphenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-chlorophenyl)-1,2-diphenyl-prop-2-en-1-one",NA,"C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3","CFOUQRQVAWHVTI-HMMYKYKNSA-N",5466800,NA,"PDBC19672","643132","Present",NA,NA
+"19673","3-(4-Chlorophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C3=CC=C(C=C3)Cl)[O-]","MKMGYSWIFGQMKN-UHFFFAOYSA-N",135416920,NA,"PDBC19673","621719","Present",NA,NA
+"19674","3-(4-Chlorophenyl)-1,6-dimethylpyrimido[5,4-e][1,2,4]triazine-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-chlorophenyl)-1,6-dimethylpyrimido[5,6-e][1,2,4]tri...",NA,"CN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)Cl)C","UCEGDYDPOSBUTP-UHFFFAOYSA-N",460749,NA,"PDBC19674","749675","Present",NA,NA
+"19675","3-(4-Chlorophenyl)-1-(4-pyridinyl)-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-1-(4-pyridinyl)-2-propen-1-one",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=NC=C2)Cl","ZCYFIXMUCMZFLU-ZZXKWVIFSA-N",6112169,NA,"PDBC19675","640533","Present",NA,NA
+"19676","3-(4-Chlorophenyl)-1-[(E)-2-(2-furyl)vinyl]pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-1-[(E)-2-(2-furyl)vinyl]pyrazino[1,2-a]benzimidazole",NA,"C1=CC=C2C(=C1)N=C3N2C=C(N=C3C=CC4=CC=CO4)C5=CC=C(C=C5)Cl","LPSFVDCTKAKJMD-VAWYXSNFSA-N",5471217,NA,"PDBC19676","709479","Present",NA,NA
+"19677","3-(4-Chlorophenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole",NA,"C1=CC=C2C(=C1)N=C3N2C=C(N=C3C=CC4=CC=CS4)C5=CC=C(C=C5)Cl","CMBTXTXSKJVUAF-VAWYXSNFSA-N",5471219,NA,"PDBC19677","709481","Present",NA,NA
+"19678","3-(4-Chlorophenyl)-1-[(E)-2-(4-chlorophenyl)vinyl]pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-1-[(E)-2-(4-chlorophenyl)vinyl]pyrazino[1,2-a]benzimidazole",NA,"C1=CC=C2C(=C1)N=C3N2C=C(N=C3C=CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","PHLUJQIPOUPQMU-VGOFMYFVSA-N",5471209,NA,"PDBC19678","709471","Present",NA,NA
+"19679","3-(4-Chlorophenyl)-1-mesityl-2-methyl-3-phenyl-1-propanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644636///2-Methyl-3(4-methylphenyl)-3-phenyl-1-(2,4,6-trimethylph...",NA,"CC1=CC(=C(C(=C1)C)C(=O)C(C)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C","MQPDAQDNDOOPHZ-UHFFFAOYSA-N",370901,NA,"PDBC19679","644636///644641","Present",NA,NA
+"19680","3-(4-Chlorophenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole",NA,"C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)OCCN5CCCCC5)C6=CC=C(C=C6)Cl","SYCXKBSWUDJTMU-UHFFFAOYSA-N",399074,NA,"PDBC19680","709485","Present",NA,NA
+"19681","3-(4-Chlorophenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole",NA,"C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=CC=C4)C5=CC=C(C=C5)Cl","FSZRAQTWXJKTEL-UHFFFAOYSA-N",390237,NA,"PDBC19681","687529","Present",NA,NA
+"19682","3-(4-Chlorophenyl)-1-phenylpyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AJ-131/36477019",NA,"C1=CC=C(C=C1)C2=NC(=CN3C2=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl","YDDCEKLWCMVLRN-UHFFFAOYSA-N",384476,NA,"PDBC19682","674278","Present",NA,NA
+"19683","3-(4-Chlorophenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,"CN1C2=CC=CC=C2N3C1=NN=C(C3=O)C4=CC=C(C=C4)Cl","VXTDTHPWHFINPR-UHFFFAOYSA-N",386673,NA,"PDBC19683","679200","Present",NA,NA
+"19684","3-(4-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CNC3=CC=CC=C32)C4=CC=C(C=C4)Cl","QYGYWTAXSUDPBS-UHFFFAOYSA-N",375559,NA,"PDBC19684","655347","Present",NA,NA
+"19685","3-(4-Chlorophenyl)-2-(2-dimethylaminoethyl)-3-hydroxy-isoindolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-(2-dimethylaminoethyl)-3-hydroxy-isoindolin-1-one",NA,"CN(C)CCN1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)Cl)O.Cl","JYVPYWXBQUDKTF-UHFFFAOYSA-N",388685,NA,"PDBC19685","683710","Present",NA,NA
+"19686","3-(4-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)Cl","JFPPUEPRGHWFOQ-UHFFFAOYSA-N",401406,NA,"PDBC19686","715058","Present",NA,NA
+"19687","3-(4-Chlorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile",NA,"C1=CC=C2C(=C1)C(=O)NC(=N2)C(=CC3=CC=C(C=C3)Cl)C#N","NKDNNYIWEHNPBU-FMIVXFBMSA-N",135468676,NA,"PDBC19687","684970","Present",NA,NA
+"19688","3-(4-Chlorophenyl)-2-(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-(4-methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazole",NA,"COC1=CC=C(C=C1)N2C(=C)C3=NC4=CC=CC=C4N3C=C2C5=CC=C(C=C5)Cl","JNTPYVZPPWCPLS-UHFFFAOYSA-N",390238,NA,"PDBC19688","687530","Present",NA,NA
+"19689","3-(4-Chlorophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-[(4-iodobenzoyl)amino]propanoic acid",NA,"C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)I)Cl","BLXXGFNMRNZIDG-UHFFFAOYSA-N",336957,NA,"PDBC19689","353286","Present",NA,NA
+"19690","3-(4-Chlorophenyl)-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-[[4-(4-chlorophenyl)thiazol-2-yl]methyl]quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)CC3=NC(=CS3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","RMEKFIRIZBZTGS-UHFFFAOYSA-N",397925,NA,"PDBC19690","706981","Present",NA,NA
+"19691","3-(4-Chlorophenyl)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-[[4-(4-methoxyphenyl)thiazol-2-yl]methyl]quinazolin-4-one",NA,"COC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)Cl","UNWZIDBAHUPTCX-UHFFFAOYSA-N",397924,NA,"PDBC19691","706980","Present",NA,NA
+"19692","3-(4-Chlorophenyl)-2-ethyl-3-hydroxy-1-isoindolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-2-ethyl-3-hydroxy-1-isoindolinone",NA,"CCN1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)Cl)O","MJAKMPIGOMJSJO-UHFFFAOYSA-N",395642,NA,"PDBC19692","700424","Present",NA,NA
+"19693","3-(4-Chlorophenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one",NA,"C1CCC2=C(C1)C3=C(S2)N=C4CN(C=NN4C3=O)C5=CC=C(C=C5)Cl","RXANQZOMZWVURT-UHFFFAOYSA-N",390742,NA,"PDBC19693","688501","Present",NA,NA
+"19694","3-(4-Chlorophenyl)-3-cyano-N-(2-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-3-cyano-N-(2-methylphenyl)-2-oxopropanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=CC=C(C=C2)Cl","JZYJFABBUMCDRC-UHFFFAOYSA-N",366966,NA,"PDBC19694","636128","Present",NA,NA
+"19695","3-(4-Chlorophenyl)-3-cyano-N-(3,4-dichlorophenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-3-cyano-N-(3,4-dichlorophenyl)-2-oxopropanamide",NA,"C1=CC(=CC=C1C(C#N)C(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl","COENYRMXXJLMLM-UHFFFAOYSA-N",366972,NA,"PDBC19695","636134","Present",NA,NA
+"19696","3-(4-Chlorophenyl)-3-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-3-cyano-N-(6-methyl-1,3-benzothiazol-2-yl)-2-oxopropanamide",NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC=C(C=C3)Cl","DLOMRGWAUIWNTE-UHFFFAOYSA-N",366749,NA,"PDBC19696","635522","Present",NA,NA
+"19697","3-(4-Chlorophenyl)-3-hydroxy-2-(2-hydroxy-1,1-dimethyl-ethyl)isoindolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-3-hydroxy-2-(2-hydroxy-1,1-dimethyl-ethyl)isoindolin-1-one",NA,"CC(C)(CO)N1C(=O)C2=CC=CC=C2C1(C3=CC=C(C=C3)Cl)O","RKVRIELGCVCCAR-UHFFFAOYSA-N",388687,NA,"PDBC19697","683711","Present",NA,NA
+"19698","3-(4-Chlorophenyl)-4-(4-fluorophenyl)-6-phenyl-2-pyridinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-4-(4-fluorophenyl)-6-phenylpyridin-2-amine",NA,"C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)Cl)N","BLVFWOZMTGSELI-UHFFFAOYSA-N",388616,NA,"PDBC19698","683627","Present",NA,NA
+"19699","3-(4-Chlorophenyl)-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione",NA,"C1=CC(=CC=C1C2=CC=C(O2)C=NN3C(=NNC3=S)C4=CC=C(C=C4)Cl)[N+](=O)[O-]","ABBCHJOXFDNERT-SRZZPIQSSA-N",9570063,NA,"PDBC19699","638050","Present",NA,NA
+"19700","3-(4-Chlorophenyl)-4-methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-4-methyl-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-4H-1,2,4-triazole",NA,"CN1C=NC(=C1SC2=NN=C(N2C)C3=CC=C(C=C3)Cl)[N+](=O)[O-]","XGUFJFGSOXKBJA-UHFFFAOYSA-N",364625,NA,"PDBC19700","631159","Present",NA,NA
+"19701","3-(4-Chlorophenyl)-5-((methylthio)methyl)-4,5-dihydroisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-5-((methylthio)methyl)-4,5-dihydroisoxazole",NA,"CSCC1CC(=NO1)C2=CC=C(C=C2)Cl","NQLPWGPUJVRTJS-UHFFFAOYSA-N",368753,NA,"PDBC19701","639907","Present",NA,NA
+"19702","3-(4-Chlorophenyl)-5-(2,5-dihydroxyphenyl)-1-phenylpyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Chlorophenyl)-2-phenylpyrazol-3-yl]benzene-1,4-diol",NA,"C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)O)O","CIWXARNBSXBHLE-UHFFFAOYSA-N",135585509,NA,"PDBC19702","731812","Present",NA,NA
+"19703","3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-chlorophenyl)-5-(2,5-dimethoxyphenyl)-1-phenylpyrazole",NA,"COC1=CC(=C(C=C1)OC)C2=CC(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)Cl","YDLJGGIUQYIPPQ-UHFFFAOYSA-N",24204419,NA,"PDBC19703","731803","Present",NA,NA
+"19704","3-(4-Chlorophenyl)-5-(3,4-dichlorophenyl)-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-5-(3,4-dichlorophenyl)-1H-imidazol-2-one",NA,"C1=CC(=CC=C1N2C=C(NC2=O)C3=CC(=C(C=C3)Cl)Cl)Cl","XTFZRCJHKGRWTN-UHFFFAOYSA-N",44446876,NA,"PDBC19704","740125","Present",NA,NA
+"19705","3-(4-Chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-5-(3,4-dimethoxyphenyl)-1H-imidazole-2-thione",NA,"COC1=C(C=C(C=C1)C2=CN(C(=S)N2)C3=CC=C(C=C3)Cl)OC","RDTQLNRKXHWWEI-UHFFFAOYSA-N",44446879,NA,"PDBC19705","741354","Present",NA,NA
+"19706","3-(4-Chlorophenyl)-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4H-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-1,2,4-triazole",NA,"CN1C=NC(=C1SC2=NNC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]","QNWULRRDRBFNAR-UHFFFAOYSA-N",364627,NA,"PDBC19706","631161","Present",NA,NA
+"19707","3-(4-Chlorophenyl)-5-cyclohexyl-4,5-dihydroisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-5-cyclohexyl-4,5-dihydroisoxazole",NA,"C1CCC(CC1)C2CC(=NO2)C3=CC=C(C=C3)Cl","FHRULMOUJPPDEJ-UHFFFAOYSA-N",368750,NA,"PDBC19707","639904","Present",NA,NA
+"19708","3-(4-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-6,8,8-trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepine",NA,"CC1=NN2C(=NN=C2NC(C1)(C)C)C3=CC=C(C=C3)Cl","QBWWXNNHMBGFNT-UHFFFAOYSA-N",369066,NA,"PDBC19708","640623","Present",NA,NA
+"19709","3-(4-Chlorophenyl)-6-(5-(hydroxy(oxido)amino)-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3-(4-chlorop...",NA,"C1C(=NN2C(=NN=C2S1)C3=CC=C(C=C3)Cl)C4=CC=C(O4)[N+](=O)[O-]","FBOLUDBCPRWEIO-UHFFFAOYSA-N",364212,NA,"PDBC19709","629974","Present",NA,NA
+"19710","3-(4-Chlorophenyl)-6-cyano-7-phenyl-1,2,3,4-tetrahydro-5H-1,2-diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Chlorophenyl)-5-oxo-3-phenyl-2,5,6,7-tetrahydro-1H-1,2-diazepine-4-carbonitrile",NA,"C1C(NNC(=C(C1=O)C#N)C2=CC=CC=C2)C3=CC=C(C=C3)Cl","KSNQKILBMGAVMP-UHFFFAOYSA-N",363798,NA,"PDBC19710","629012","Present",NA,NA
+"19711","3-(4-Chlorophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-6-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=C(C=C3)Cl)N)[O-]","MAMMTJLEXUOMJF-UHFFFAOYSA-N",135503396,NA,"PDBC19711","621741","Present",NA,NA
+"19712","3-(4-Chlorophenyl)-6-methyl-4H-furo[3,2-c]pyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-6-methyl-4H-furo[3,2-c]pyran-4-one",NA,"CC1=CC2=C(C(=CO2)C3=CC=C(C=C3)Cl)C(=O)O1","OMSVSYOKJABLKP-UHFFFAOYSA-N",373091,NA,"PDBC19712","649011","Present",NA,NA
+"19713","3-(4-Chlorophenyl)-7,8-dimethyl-3,4-dihydro-9H-thieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Chlorophenyl)-4,5-dimethyl-6-thia-1,8,11,13-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)CN(C=N3)C4=CC=C(C=C4)Cl)C","ZXUSYWDZRFLLTR-UHFFFAOYSA-N",390746,NA,"PDBC19713","688505","Present",NA,NA
+"19714","3-(4-Chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,5]benzothiadiazepin-5(6H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,5]benzothiadiazepin-5(6H)-imine",NA,"C1=CC=C2C(=C1)N=C(N3C(=NN=C3S2)C4=CC=C(C=C4)Cl)N","AKCWYYNYRGNFBJ-UHFFFAOYSA-N",383201,NA,"PDBC19714","671319","Present",NA,NA
+"19715","3-(4-Chlorophenyl)sulfonyl-1-[4-[[(E)-N-(4-chlorophenyl)sulfonyl-C-methylsulfanyl-carbonimidoyl]amino]butyl]-2-methyl-isothiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-(4-chlorophenyl)sulfonyl-N'-[4-[[[(4-chlorophenyl)sulfonylamino]-methylsulfanylmethylidene]amino]butyl]carbamimidothioate",NA,"CSC(=NCCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)Cl)SC)NS(=O)(=O)C2=CC=C(C=C2)Cl","YTVKOVKIJQHPKS-UHFFFAOYSA-N",382842,NA,"PDBC19715","670672","Present",NA,NA
+"19716","3-(4-Chlorophenyl)sulfonyl-4-hydroxy-5,7-dimethyl-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)sulfonyl-2-hydroxy-5,7-dimethyl-chromen-4-one",NA,"CC1=CC(=C2C(=C1)OC(=O)C(=C2O)S(=O)(=O)C3=CC=C(C=C3)Cl)C","XBRMVHHPNUDZON-UHFFFAOYSA-N",54690911,NA,"PDBC19716","695624","Present",NA,NA
+"19717","3-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)thieno[2,3-b]pyrrolizin-8-one",NA,"C1=CN2C(=C1)C(=O)C3=C2C(=CS3)C4=CC=C(C=C4)Cl","MPKUTAGHBXQZRX-UHFFFAOYSA-N",388525,NA,"PDBC19717","683509","Present",NA,NA
+"19718","3-(4-Cyanophenoxy)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Cyanophenoxy)quinoxaline-2-carboxylic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)C#N)C(=O)O","YYTMUQOCKLZMNW-UHFFFAOYSA-N",393704,NA,"PDBC19718","696138","Present",NA,NA
+"19719","3-(4-Dodecylbenzoyl)acrylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC30659",NA,"CCCCCCCCCCCCC1=CC=C(C=C1)C(=O)C=CC(=O)O","APVXBFBAVQYGRD-ISLYRVAYSA-N",5355260,NA,"PDBC19719","30659","Present",NA,NA
+"19720","3-(4-Ethoxyphenyl)-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Ethoxyphenyl)-4,6-dimethyl-3a,6a-diphenyl-1H-imidazo[4,5-d]imidazole-2,5-dione",NA,"CCOC1=CC=C(C=C1)N2C(=O)NC3(C2(N(C(=O)N3C)C)C4=CC=CC=C4)C5=CC=CC=C5","PIYQBHXTZCMPOY-UHFFFAOYSA-N",389854,NA,"PDBC19720","686485","Present",NA,NA
+"19721","3-(4-Ethoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Ethoxyphenyl)triazolo[4,5-d]pyrimidine-5,7-diamine",NA,"CCOC1=CC=C(C=C1)N2C3=NC(=NC(=C3N=N2)N)N","WMXSAXGIMIIYNG-UHFFFAOYSA-N",390793,NA,"PDBC19721","688727","Present",NA,NA
+"19722","3-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Ethyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole",NA,"CCN1C=NN=C1C2=NSC3=CC=CC=C32","VIEDSAGGHWDGTE-UHFFFAOYSA-N",374733,NA,"PDBC19722","652925","Present",NA,NA
+"19723","3-(4-Fluoro-benzylamino)-quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluoro-benzylamino)-quinoxaline-2-carboxylic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NCC3=CC=C(C=C3)F)C(=O)O","FZKNXZQHMDLSNA-UHFFFAOYSA-N",387373,NA,"PDBC19723","681125","Present",NA,NA
+"19724","3-(4-Fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"C1=CC(=CC=C1NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O)F","VPJRQGBLCIRRIW-UHFFFAOYSA-N",388328,NA,"PDBC19724","683063","Present",NA,NA
+"19725","3-(4-Fluorophenoxy)propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenoxy)propane-1,2-diol",NA,"C1=CC(=CC=C1OCC(CO)O)F","AKWLXYPVWJFZMG-UHFFFAOYSA-N",367039,NA,"PDBC19725","636367","Present",NA,NA
+"19726","3-(4-Fluorophenyl)-2,2-c]chromen-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-fluorophenyl)-2,5-dihydro-2-oxopyrano[3,2-c]chromen...",NA,"CC(=O)OC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)C4=CC=C(C=C4)F","OIJQFUGPUDZCRR-UHFFFAOYSA-N",45028495,NA,"PDBC19726","742946","Present",NA,NA
+"19727","3-(4-Fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)-2,6,7-trimethyl-4-oxoquinazoline-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)N=C(N(C2=O)C3=CC=C(C=C3)F)C","SDGCYLOWKZQNML-UHFFFAOYSA-N",360075,NA,"PDBC19727","621873","Present",NA,NA
+"19728","3-(4-Fluorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)-2-(4-hydroxy-2-quinazolinyl)acrylonitrile",NA,"C1=CC=C2C(=C1)C(=O)NC(=N2)C(=CC3=CC=C(C=C3)F)C#N","PDRKIOWUNKORCL-FMIVXFBMSA-N",135454442,NA,"PDBC19728","684965","Present",NA,NA
+"19729","3-(4-Fluorophenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Fluorophenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one",NA,"C1CCC2=C(C1)C3=C(S2)N=C4CN(C=NN4C3=O)C5=CC=C(C=C5)F","ZTKFOELLUUOWGA-UHFFFAOYSA-N",390743,NA,"PDBC19729","688502","Present",NA,NA
+"19730","3-(4-Fluorophenyl)-3-(2-hydroxy-4-methylphenyl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)-3-(2-hydroxy-4-methylphenyl)phthalide",NA,"CC1=CC(=C(C=C1)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F)O","OJORFUCIMFFMJE-UHFFFAOYSA-N",387972,NA,"PDBC19730","682334","Present",NA,NA
+"19731","3-(4-Fluorophenyl)-3-(4-acetoxy-2-methylphenyl)phthalide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)-3-(4-acetoxy-2-methylphenyl)phthalide",NA,"CC1=C(C=CC(=C1)OC(=O)C)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F","ARWYVQDENBNRMX-UHFFFAOYSA-N",383342,NA,"PDBC19731","671456","Present",NA,NA
+"19732","3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)phthalide",NA,"CC1=C(C=CC(=C1)O)C2(C3=CC=CC=C3C(=O)O2)C4=CC=C(C=C4)F","NMZBIRJGKPTDBF-UHFFFAOYSA-N",387973,NA,"PDBC19732","682335","Present",NA,NA
+"19733","3-(4-Fluorophenyl)-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiazolidinethione, 3-(4-fluorophenyl)-4,5-bis(phenyli...",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=S)N2C4=CC=C(C=C4)F","BHEHJBMUWWKGNG-UHFFFAOYSA-N",383249,NA,"PDBC19733","671363","Present",NA,NA
+"19734","3-(4-Fluorophenyl)-4-(2-pyridinyl)-2-pyrrolidinimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)-4-(2-pyridinyl)-2-pyrrolidinimine",NA,"C1C(C(C(=N1)N)C2=CC=C(C=C2)F)C3=CC=CC=N3","JZSQXHGUNCACPO-UHFFFAOYSA-N",364692,NA,"PDBC19734","631344","Present",NA,NA
+"19735","3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-6-(4-pyridyl)pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)-4-(4-methoxyphenyl)-6-(4-pyridyl)pyridin-2-amine",NA,"COC1=CC=C(C=C1)C2=CC(=NC(=C2C3=CC=C(C=C3)F)N)C4=CC=NC=C4","GEFHLMWQANYTHR-UHFFFAOYSA-N",388617,NA,"PDBC19735","683628","Present",NA,NA
+"19736","3-(4-Fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C2=CN(C(=O)N2)C3=CC=C(C=C3)F","OSDLHOQXAIBMDP-UHFFFAOYSA-N",45027960,NA,"PDBC19736","740351","Present",NA,NA
+"19737","3-(4-Fluorophenyl)-6-(pyrrolidine-1-yl)pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione",NA,"C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)F","WARKRYLBAGWYGD-UHFFFAOYSA-N",396880,NA,"PDBC19737","703907","Present",NA,NA
+"19738","3-(4-Fluorophenyl)-6-morpholin-4-yl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)-6-morpholino-1h-pyrimidine-2,4-dione",NA,"C1COCCN1C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)F","JHHITEYNABBKHT-UHFFFAOYSA-N",396883,NA,"PDBC19738","703910","Present",NA,NA
+"19739","3-(4-Fluorophenyl)-7,8-dimethyl-3,4-dihydro-9H-thieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Fluorophenyl)-4,5-dimethyl-6-thia-1,8,11,13-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)CN(C=N3)C4=CC=C(C=C4)F)C","QHTYDFHNQHEVLO-UHFFFAOYSA-N",390747,NA,"PDBC19739","688506","Present",NA,NA
+"19740","3-(4-Fluorophenyl)-8,5-dihydropyrano[3,2-c]chromen-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-fluorophenyl)-8,9-dimethyl-2-oxo-2,5-dihydropyrano[...",NA,"CC1=CC2=C(C=C1C)OC(C3=C2OC(=O)C(=C3)C4=CC=C(C=C4)F)OC(=O)C","KIXMBJTVRFRWOF-UHFFFAOYSA-N",45113107,NA,"PDBC19740","747825","Present",NA,NA
+"19741","3-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Fluorophenyl)thieno[2,3-b]pyrrolizin-8-one",NA,"C1=CN2C(=C1)C(=O)C3=C2C(=CS3)C4=CC=C(C=C4)F","KYYNSIZYORCZFZ-UHFFFAOYSA-N",388524,NA,"PDBC19741","683508","Present",NA,NA
+"19742","3-(4-Hexynyl)-3-methyl-2-piperidinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hexynyl)-3-methyl-2-piperidinethione",NA,"CC#CCCCC1(CCCNC1=S)C","DRUQSDJLVBDEDD-UHFFFAOYSA-N",3004919,NA,"PDBC19742","662763","Present",NA,NA
+"19743","3-(4-Hexynyl)-3-methyl-2-pyrrolidinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hexynyl)-3-methyl-2-pyrrolidinethione",NA,"CC#CCCCC1(CCNC1=S)C","VXFFMFGSPFOWSE-UHFFFAOYSA-N",3004918,NA,"PDBC19743","662762","Present",NA,NA
+"19744","3-(4-Hydroxy-3-methoxy-phenyl)-N-(2-hydroxy-2-phenyl-ethyl)-propionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxy-3-methoxy-phenyl)-N-(2-hydroxy-2-phenyl-eth...",NA,"COC1=C(C=CC(=C1)CCC(=O)NCC(C2=CC=CC=C2)O)O","RLCADIOBTGMXIV-MRXNPFEDSA-N",24203885,NA,"PDBC19744","729915","Present",NA,NA
+"19745","3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxybenzyl)-5,7-dihydroxy-6-methoxychroman-4-one",NA,"COC1=C(C2=C(C=C1O)OCC(C2=O)CC3=CC=C(C=C3)O)O","CGCVUMRAPMFWDT-UHFFFAOYSA-N",404572,NA,"PDBC19745","720873","Present",NA,NA
+"19746","3-(4-Hydroxybenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxybenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,"C1=CC=C2C(=C1)C(=O)N3C(=CC4=CC=C(C=C4)O)C(=O)NC3=N2","WBUUDUJCMJZLCM-NTEUORMPSA-N",135493951,NA,"PDBC19746","684351","Present",NA,NA
+"19747","3-(4-Hydroxyphenyl)-1,2-diphenyl-2-propen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxyphenyl)-1,2-diphenyl-2-propen-1-one",NA,"C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)O)C(=O)C3=CC=CC=C3","RZBABEFHJKXEBA-HMMYKYKNSA-N",5466799,NA,"PDBC19747","643131","Present",NA,NA
+"19748","3-(4-Hydroxyphenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxyphenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,"CN1C2=CC=CC=C2N3C1=NN=C(C3=O)C4=CC=C(C=C4)O","ZUDQDOQONZTDBY-UHFFFAOYSA-N",386672,NA,"PDBC19748","679199","Present",NA,NA
+"19749","3-(4-Hydroxyphenyl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxyphenyl)-2-(p-tolylsulfonylcarbamoylamino)propanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O","JVPUENSYQZSVHP-UHFFFAOYSA-N",396496,NA,"PDBC19749","702680","Present",NA,NA
+"19750","3-(4-Hydroxyphenyl)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxyphenyl)-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]propanoic acid",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CC3=CC=C(C=C3)O)C(=O)O","HQPDOZNIEIFSJE-UHFFFAOYSA-N",373579,NA,"PDBC19750","650032","Present",NA,NA
+"19751","3-(4-Hydroxyphenyl)-4-methyl-6-hydroxyisocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-hydroxyphenyl)-4-methyl-6-hydroxyisocoumarin",NA,"CC1=C(OC(=O)C2=C1C=C(C=C2)O)C3=CC=C(C=C3)O","PFMZCJIRDIAZQN-UHFFFAOYSA-N",5473308,NA,"PDBC19751","725008","Present",NA,NA
+"19752","3-(4-Hydroxyphenyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxyphenyl)-6-iodo-2-(2-thienyl)-3H-quinazolin-4...",NA,"C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)O","UTDKIHJQVHYEBZ-UHFFFAOYSA-N",404713,NA,"PDBC19752","721184","Present",NA,NA
+"19753","3-(4-Hydroxyphenyl)-8-hydroxyisocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-hydroxyphenyl)-8-hydroxyisocoumarin",NA,"C1=CC(=CC=C1C2=CC3=C(C=CC(=C3)O)C(=O)O2)O","BDNZCOHHHNRYSV-UHFFFAOYSA-N",5473193,NA,"PDBC19753","724382","Present",NA,NA
+"19754","3-(4-Hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxyphenyl)-N-[2-(3-hydroxyphenyl)ethyl]propanamide",NA,"C1=CC(=CC(=C1)O)CCNC(=O)CCC2=CC=C(C=C2)O","QDRWIYFSUWNHCV-UHFFFAOYSA-N",387943,NA,"PDBC19754","682294","Present",NA,NA
+"19755","3-(4-Hydroxyphenyl)-N-[3-[3-(4-hydroxyphenyl)propanoylamino]propyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxyphenyl)-N-[3-[3-(4-hydroxyphenyl)propanoylamino]propyl]propanamide",NA,"C1=CC(=CC=C1CCC(=O)NCCCNC(=O)CCC2=CC=C(C=C2)O)O","QVRHXGPCSPYJFO-UHFFFAOYSA-N",390999,NA,"PDBC19755","689405","Present",NA,NA
+"19756","3-(4-Imidazol-1-ylphenyl)-6-oxo-1H-pyridazine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridazinecarboxamide, 2,3-dihydro-6-[4-(1H-imidazol-1...",NA,"C1=CC(=CC=C1C2=NNC(=O)C(=C2)C(=O)N)N3C=CN=C3","DXETXLWHKVGQLG-UHFFFAOYSA-N",377338,NA,"PDBC19756","658775","Present",NA,NA
+"19757","3-(4-Isonicotinoyl piperazin-1-yl)-4-phenyl-4H-1,4-benzothiadiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-isonicotinoyl piperazin-1-yl)-4-phenyl-4H-1,2,4-ben...",NA,"C1CN(CCN1C2=NS(=O)(=O)C3=CC=CC=C3N2C4=CC=CC=C4)C(=O)C5=CC=NC=C5","CZDYBPHWCWEKHG-UHFFFAOYSA-N",24206028,NA,"PDBC19757","737737","Present",NA,NA
+"19758","3-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxy-2-methylphenyl)naphtho[1,2-c]furan-1(3H)-one",NA,"CC1=C(C=CC(=C1)OC)C2C3=C(C4=CC=CC=C4C=C3)C(=O)O2","PMVCYRWPQFDLEX-UHFFFAOYSA-N",369149,NA,"PDBC19758","640736","Present",NA,NA
+"19759","3-(4-Methoxy-benzylamino)-quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxy-benzylamino)-quinoxaline-2-carboxylic acid",NA,"COC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(=O)O","UPKSFROHRNKAPX-UHFFFAOYSA-N",387372,NA,"PDBC19759","681124","Present",NA,NA
+"19760","3-(4-Methoxyanilino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyanilino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",NA,"CC1(C2CCC1(C(=O)C2NC3=CC=C(C=C3)OC)C)C","KFKLIBAWHRUNOV-UHFFFAOYSA-N",386480,NA,"PDBC19760","678508","Present",NA,NA
+"19761","3-(4-Methoxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"COC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O","MZCAPXRDAPWCCL-UHFFFAOYSA-N",388327,NA,"PDBC19761","683062","Present",NA,NA
+"19762","3-(4-Methoxybenzoyl)cyclopentanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxybenzoyl)cyclopentanecarboxylic acid",NA,"COC1=CC=C(C=C1)C(=O)C2CCC(C2)C(=O)O","WKGLTBFKXDKKGA-UHFFFAOYSA-N",365637,NA,"PDBC19762","633491","Present",NA,NA
+"19763","3-(4-Methoxybenzyl)-5,7-dimethoxychroman-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxybenzyl)-5,7-dimethoxychroman-4-one",NA,"COC1=CC=C(C=C1)CC2COC3=C(C2=O)C(=CC(=C3)OC)OC","JKMJUFLHBMBSQL-UHFFFAOYSA-N",404573,NA,"PDBC19763","720874","Present",NA,NA
+"19764","3-(4-Methoxybenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxybenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,"COC1=CC=C(C=C1)C=C2C(=O)NC3=NC4=CC=CC=C4C(=O)N23","GINUQSSYGRTPIF-XNTDXEJSSA-N",135493946,NA,"PDBC19764","684346","Present",NA,NA
+"19765","3-(4-Methoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenoxy)-2-phenyl-7-(trifluoromethyl)quinoxalin-5-amine",NA,"COC1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","WZQSXIXWYZTSCR-UHFFFAOYSA-N",393435,NA,"PDBC19765","695322","Present",NA,NA
+"19766","3-(4-Methoxyphenoxy)-2-propan-2-yl-6-(trifluoromethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenoxy)-2-(1-methylethyl)-6-(trifluoromethyl)quinoxaline",NA,"CC(C)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)OC","CHGNJAAILDTOER-UHFFFAOYSA-N",401466,NA,"PDBC19766","715124","Present",NA,NA
+"19767","3-(4-Methoxyphenyl)-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide",NA,"COC1=CC=C(C=C1)N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","LIJRDZOTMQRKOU-UHFFFAOYSA-N",401416,NA,"PDBC19767","715068","Present",NA,NA
+"19768","3-(4-Methoxyphenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-1-[(E)-2-(2-thienyl)vinyl]pyrazino[1,2-a]benzimidazole",NA,"COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C=CC5=CC=CS5","UMZLUAOYYKUESL-OUKQBFOZSA-N",5471218,NA,"PDBC19768","709480","Present",NA,NA
+"19769","3-(4-Methoxyphenyl)-1-methyl-2-phenylindolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methylphenyl)-1-methyl-2-phenylindolizine",NA,"CC1=C2C=CC=CN2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)OC","SWYZMSOBTNLJSA-UHFFFAOYSA-N",393625,NA,"PDBC19769","695834","Present",NA,NA
+"19770","3-(4-Methoxyphenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-1-methylene-2-[4-[2-(1-piperidyl)ethoxy]phenyl]pyrazino[1,2-a]benzimidazole",NA,"COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OCCN6CCCCC6","INJDFHJYJUGOAJ-UHFFFAOYSA-N",399073,NA,"PDBC19770","709484","Present",NA,NA
+"19771","3-(4-Methoxyphenyl)-1-methylene-2-phenyl-pyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazino[1,2-a]benzimidazole, 3-(4-methoxyphenyl)- 1-met...",NA,"COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=CC=C5","QBGDOVQSQFVTAC-UHFFFAOYSA-N",390235,NA,"PDBC19771","687527","Present",NA,NA
+"19772","3-(4-Methoxyphenyl)-1-methylpyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-1-methylpyrazino[1,2-a]benzimidazole",NA,"CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)OC","XUVJJXREKKCPGD-UHFFFAOYSA-N",384471,NA,"PDBC19772","674273","Present",NA,NA
+"19773","3-(4-Methoxyphenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-10-methyl-[1,2,4]triazino[4,3-a]benzimidazol-4-one",NA,"CN1C2=CC=CC=C2N3C1=NN=C(C3=O)C4=CC=C(C=C4)OC","SEPNRDBTTGHYTF-UHFFFAOYSA-N",386679,NA,"PDBC19773","679206","Present",NA,NA
+"19774","3-(4-Methoxyphenyl)-2-methyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679216///NSC679218",NA,"CC1=NC2=C(C=C(C=C2)NC3C(C(C(CO3)O)O)O)C(=O)N1C4=CC=C(C=C4)OC","UVCFNLLVVXNROX-UHFFFAOYSA-N",386687,NA,"PDBC19774","679216///679218","Present",NA,NA
+"19775","3-(4-Methoxyphenyl)-2-methyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-2-methyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]quinazolin-4-one",NA,"CC1=NC2=C(C=C(C=C2)NC3C(C(C(C(O3)CO)O)O)O)C(=O)N1C4=CC=C(C=C4)OC","YOBWIBALNGPUDH-UHFFFAOYSA-N",386684,NA,"PDBC19775","679213","Present",NA,NA
+"19776","3-(4-Methoxyphenyl)-2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-2-phenyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole",NA,"COC1=CC=C(C=C1)C2C3COC4=CC=CC=C4C3=NN2C5=CC=CC=C5","RTXIBZMHCIEZDT-UHFFFAOYSA-N",388251,NA,"PDBC19776","682862","Present",NA,NA
+"19777","3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-3,3a,4,5-tetrahydro-2H-benzo[g]indazole",NA,"COC1=CC=C(C=C1)C2C3CCC4=CC=CC=C4C3=NN2","UVKSVLMOLNOULA-UHFFFAOYSA-N",21792363,NA,"PDBC19777","744693","Present",NA,NA
+"19778","3-(4-Methoxyphenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methoxyphenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one",NA,"COC1=CC=C(C=C1)N2CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3N=C2","QZVYVLIWWXLUNM-UHFFFAOYSA-N",390741,NA,"PDBC19778","688500","Present",NA,NA
+"19779","3-(4-Methoxyphenyl)-4-(2-pyridinyl)-2-pyrrolidinimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-4-(2-pyridinyl)-2-pyrrolidinimine",NA,"COC1=CC=C(C=C1)C2C(CN=C2N)C3=CC=CC=N3","GZMPVHIUKPIGNS-UHFFFAOYSA-N",364693,NA,"PDBC19779","631345","Present",NA,NA
+"19780","3-(4-Methoxyphenyl)-4-phenylisothiochromeno[3,2]oxazi ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-methoxyphenyl)-4-phenylisothiochromeno[3,4-e][1,2]o...",NA,"COC1=CC=C(C=C1)C2=NOC3=C4C=CC=CC4=CSC3=C2C5=CC=CC=C5","QJZCXUWXWCDMQL-UHFFFAOYSA-N",405553,NA,"PDBC19780","722916","Present",NA,NA
+"19781","3-(4-Methoxyphenyl)-5,5,5-triphenyl-4,5-dihydro-1,2,5lambda~5~-oxazaphosphole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-5,5,5-triphenyl-4,5-dihydro-1,2,5lambda(5)-oxazaphosphole",NA,"COC1=CC=C(C=C1)C2=NOP(C2)(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5","NIMKUIZJGMIFAP-UHFFFAOYSA-N",327851,NA,"PDBC19781","304610","Present",NA,NA
+"19782","3-(4-Methoxyphenyl)-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-4H-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methoxyphenyl)-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-1H-1,2,4-triazole",NA,"CN1C=NC(=C1SC2=NNC(=N2)C3=CC=C(C=C3)OC)[N+](=O)[O-]","PYQWYJXOZDKYME-UHFFFAOYSA-N",364628,NA,"PDBC19782","631162","Present",NA,NA
+"19783","3-(4-Methoxyphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-5-methyl-1,3,5-thiadiazinane-2-thione",NA,"CN1CN(C(=S)SC1)C2=CC=C(C=C2)OC","GPIXDVXNSJYMGF-UHFFFAOYSA-N",279093,NA,"PDBC19783","129266","Present",NA,NA
+"19784","3-(4-Methoxyphenyl)-5H-indeno[1,2-c]pyridazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-PF-2812///NSC766729",NA,"COC1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2","HXQRIHGYIOARQJ-UHFFFAOYSA-N",379338,NA,"PDBC19784","663884///766729","Present",NA,NA
+"19785","3-(4-Methoxyphenyl)-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-methoxyphenyl)-6-methyl-2-(3,4,5-trimethoxybenzylth...",NA,"CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=C(C=C3)OC)SCC4=CC(=C(C(=C4)OC)OC)OC","GRMTVFCOBIDABP-UHFFFAOYSA-N",134140548,NA,"PDBC19785","764496","Present",NA,NA
+"19786","3-(4-Methoxyphenyl)-6-methyl-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)OC)C#N)C4=CC=CC=C4","YMBKRAJANTUNHC-UHFFFAOYSA-N",398639,NA,"PDBC19786","708789","Present",NA,NA
+"19787","3-(4-Methoxyphenyl)-7,8-dimethyl-3,4-dihydro-9H-thieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Methoxyphenyl)-4,5-dimethyl-6-thia-1,8,11,13-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)CN(C=N3)C4=CC=C(C=C4)OC)C","IDBUWBLFALSBAC-UHFFFAOYSA-N",390745,NA,"PDBC19787","688504","Present",NA,NA
+"19788","3-(4-Methoxyphenyl)-8H-thieno[2,3-b]pyrrolizin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8H-Thieno[2,3-b]pyrrolizin-8-one, 3-(4-methoxyphenyl)- (...",NA,"COC1=CC=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O","STBQKICVQXGVLM-UHFFFAOYSA-N",385455,NA,"PDBC19788","676693","Present",NA,NA
+"19789","3-(4-Methoxyphenyl)[1,2,4]triazino[4,3-a]benzimidazol-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)[1,2,4]triazino[4,3-a]benzimidazol-4(1H)-one",NA,"COC1=CC=C(C=C1)C2=NNC3=NC4=CC=CC=C4N3C2=O","CIIPGCDTGSTUBO-UHFFFAOYSA-N",386678,NA,"PDBC19789","679205","Present",NA,NA
+"19790","3-(4-Methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2]benzisothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)[1,2,4]triazolo[4,3-b][1,2]benzisothiazole",NA,"COC1=CC=C(C=C1)C2=NN=C3N2SC4=CC=CC=C43","DMHJRZOMTQNIPB-UHFFFAOYSA-N",374743,NA,"PDBC19790","652935","Present",NA,NA
+"19791","3-(4-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,"CC1=C2CC(C(=O)C2=CC=C1)C3C4=CC=CC=C4C(=O)O3","ZGUWWUFTPXDZAT-UHFFFAOYSA-N",385677,NA,"PDBC19791","677023","Present",NA,NA
+"19792","3-(4-Methyl-2-oxopent-3-enyl)-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methyl-2-oxopent-3-enyl)-1H-quinoxalin-2-one",NA,"CC(=CC(=O)CC1=NC2=CC=CC=C2NC1=O)C","COXHDMLJGXAGPI-UHFFFAOYSA-N",360286,NA,"PDBC19792","622320","Present",NA,NA
+"19793","3-(4-Methyl-2-oxopent-3-enyl)-7-nitro-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methyl-2-oxopent-3-enyl)-7-nitro-1H-quinoxalin-2-one",NA,"CC(=CC(=O)CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C","RWHCYZSDNPZFTA-UHFFFAOYSA-N",359727,NA,"PDBC19793","621173","Present",NA,NA
+"19794","3-(4-Methyl-3-nitro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methyl-3-nitro-phenyl)-1,4-dihydro-1,2,4-triazol-5-one",NA,"CC1=C(C=C(C=C1)C2=NNC(=O)N2)[N+](=O)[O-]","KWTLTDRPAOTUIS-UHFFFAOYSA-N",135489806,NA,"PDBC19794","678397","Present",NA,NA
+"19795","3-(4-Methylanilino)-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(p-tolylamino)-5,6,7,7a-tetrahydrobenzofuran-2(4H)-one",NA,"CC1=CC=C(C=C1)NC2=C3CCCCC3OC2=O","KLPRPYQCJGUREE-UHFFFAOYSA-N",155812728,NA,"PDBC19795","768103","Present",NA,NA
+"19796","3-(4-Methylbenzylidene)dihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methylbenzylidene)dihydro-2(3H)-furanone",NA,"CC1=CC=C(C=C1)C=C2CCOC2=O","DZQULPJCBCHNSJ-DHZHZOJOSA-N",6071028,NA,"PDBC19796","10427","Present",NA,NA
+"19797","3-(4-Methylbenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methylbenzylidene)imidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,"CC1=CC=C(C=C1)C=C2C(=O)NC3=NC4=CC=CC=C4C(=O)N23","SGIPEVGVTGGVJE-XNTDXEJSSA-N",135493948,NA,"PDBC19797","684348","Present",NA,NA
+"19798","3-(4-Methylpent-3-enyl)-4-(2-methylprop-1-enyl)-3-phenylsulfanyloxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methylpent-3-enyl)-4-(2-methylprop-1-enyl)-3-phenylsulfanyl-tetrahydrofuran-2-one",NA,"CC(=CCCC1(C(COC1=O)C=C(C)C)SC2=CC=CC=C2)C","PHICXSXVRZDAIF-UHFFFAOYSA-N",395711,NA,"PDBC19798","700509","Present",NA,NA
+"19799","3-(4-Methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"CC1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-]","KRFLIRADUCKBDO-UHFFFAOYSA-N",135406287,NA,"PDBC19799","621495","Present",NA,NA
+"19800","3-(4-Methylphenyl)-1-phenylpyrazino[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazino[1,2-a]benzimidazole, 3-(4-methylphenyl)- 1-phenyl-",NA,"CC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=N2)C5=CC=CC=C5","JDHABTWJQNMEMQ-UHFFFAOYSA-N",384475,NA,"PDBC19800","674277","Present",NA,NA
+"19801","3-(4-Methylphenyl)-2-phenylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WBZHGDSETMQLHT-LFIBNONCSA-N",NA,"CC1=CC=C(C=C1)C=C(C#N)C2=CC=CC=C2","WBZHGDSETMQLHT-LFIBNONCSA-N",5375739,NA,"PDBC19801","638633","Present",NA,NA
+"19802","3-(4-Methylphenyl)-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methylphenyl)-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one",NA,"CC1=CC=C(C=C1)N2CC3=NC4=C(C5=C(S4)CCCC5)C(=O)N3N=C2","KHJJNQXFLHZSFV-UHFFFAOYSA-N",390740,NA,"PDBC19802","688499","Present",NA,NA
+"19803","3-(4-Methylphenyl)-4-(4-nitrophenyl)isothiochromeno[3,2]oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-methylphenyl)-4-(4-nitrophenyl)isothiochromeno[3,4-...",NA,"CC1=CC=C(C=C1)C2=NOC3=C4C=CC=CC4=CSC3=C2C5=CC=C(C=C5)[N+](=O)[O-]","JAXAFIVGWYKQHK-UHFFFAOYSA-N",405550,NA,"PDBC19803","722913","Present",NA,NA
+"19804","3-(4-Methylphenyl)sydnone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-p-Tolylsydnone",NA,"CC1=CC=C(C=C1)[N+]2=NOC(=C2)[O-]","XIIZHMNSBLVHKS-UHFFFAOYSA-N",198878,NA,"PDBC19804","35761","Present",NA,NA
+"19805","3-(4-Methylpiperazin-1-yl)-5-pyridin-4-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methylpiperazin-1-yl)-2-(4-pyridyl)-5,6,7,8,9,10-he...",NA,"CN1CCN(CC1)C2=C3C4=C(CCCCCC4)SC3=NC(=N2)C5=CC=NC=C5","PBYZLFRAJAMZBA-UHFFFAOYSA-N",72196731,NA,"PDBC19805","764312","Present",NA,NA
+"19806","3-(4-Methylpiperazin-1-yl)propylhydrazine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC356363",NA,"CN1CCN(CC1)CCCNN.Cl","CQWRQUGGLYCOOW-UHFFFAOYSA-N",54607759,NA,"PDBC19806","356363","Present",NA,NA
+"19807","3-(4-Morpholinyl)-N-(1,5,5-trimethylbicyclo[2.2.1]hept-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Morpholinyl)-N-(1,5,5-trimethylbicyclo[2.2.1]hept-2-yl)propanamide",NA,"CC1(CC2(CC1CC2NC(=O)CCN3CCOCC3)C)C","QQKWCXWZHDEURB-UHFFFAOYSA-N",376014,NA,"PDBC19807","656394","Present",NA,NA
+"19808","3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Morpholinylmethyl)-5-(2-thienylmethylene)-2-thioxo-4-imidazolidinone",NA,"C1COCCN1CN2C(=O)C(=CC3=CC=CS3)NC2=S","IHKNAOKZLOKQDG-FLIBITNWSA-N",5469471,NA,"PDBC19808","688933","Present",NA,NA
+"19809","3-(4-Nitro-benzylidene)-1,5-diphenyl-pyrrolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Nitro-benzylidene)-1,5-diphenyl-pyrrolidine-2,4-dione",NA,"C1=CC=C(C=C1)C2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)N2C4=CC=CC=C4","ITDOKIJCXVTKQR-HKWRFOASSA-N",5468075,NA,"PDBC19809","663784","Present",NA,NA
+"19810","3-(4-Nitrobenzyl)-1,3-dihydro-2h-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Nitrobenzyl)-1,3-dihydro-2h-indol-2-one",NA,"C1=CC=C2C(=C1)C(C(=O)N2)CC3=CC=C(C=C3)[N+](=O)[O-]","YIKKMLSHYFGMKC-UHFFFAOYSA-N",271691,NA,"PDBC19810","115618","Present",NA,NA
+"19811","3-(4-Nitrophenyl)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC215989",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CC=C(C=C3)[N+](=O)[O-]","GATDYELJYSMQPH-UHFFFAOYSA-N",263080,NA,"PDBC19811","215989","Present",NA,NA
+"19812","3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-(4-chlorophenyl)-isooxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-(4-chlorophenyl)-...",NA,"C1CN=C(N1)C2=C(ON=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl","BCPJIAQBIBDMDY-UHFFFAOYSA-N",371103,NA,"PDBC19812","645050","Present",NA,NA
+"19813","3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-(4-methoxyphenyl)-isooxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-(4-methoxyphenyl)...",NA,"COC1=CC=C(C=C1)C2=C(C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C4=NCCN4","MOSHDLOIHFKASQ-UHFFFAOYSA-N",371101,NA,"PDBC19813","645048","Present",NA,NA
+"19814","3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-phenyl-isooxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Nitrophenyl)-4-(2-imidazolinyl)-5-phenyl-isooxazole",NA,"C1CN=C(N1)C2=C(ON=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","LRMVLBZIQWYVMB-UHFFFAOYSA-N",371102,NA,"PDBC19814","645049","Present",NA,NA
+"19815","3-(4-Nitrophenyl)-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Nitrophenyl)-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC(=CC=C1C=NN2C(=NNC2=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","WQXQQZYSAJQZFY-CXUHLZMHSA-N",9556307,NA,"PDBC19815","690622","Present",NA,NA
+"19816","3-(4-Nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Nitrophenyl)-5H-indeno[1,2-c]pyridazin-5-one",NA,"C1=CC=C2C(=C1)C3=NN=C(C=C3C2=O)C4=CC=C(C=C4)[N+](=O)[O-]","GCMBFNZCNIURJG-UHFFFAOYSA-N",379340,NA,"PDBC19816","663886","Present",NA,NA
+"19817","3-(4-Nitrophenyl)-6-phenyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Nitrophenyl)-6-phenyl-cyclohex-4-ene-1,1,2,2-tetracarbonitrile",NA,"C1=CC=C(C=C1)C2C=CC(C(C2(C#N)C#N)(C#N)C#N)C3=CC=C(C=C3)[N+](=O)[O-]","YXRGKTJRPQYRIH-UHFFFAOYSA-N",391620,NA,"PDBC19817","691106","Present",NA,NA
+"19818","3-(4-Nitrophenyl)imidazo[1,2-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Nitrophenyl)imidazo[1,2-a]pyridine",NA,"C1=CC2=NC=C(N2C=C1)C3=CC=C(C=C3)[N+](=O)[O-]","ZNTPEAGAMIBSKF-UHFFFAOYSA-N",364814,NA,"PDBC19818","631574","Present",NA,NA
+"19819","3-(4-Nitrophenyl)propiolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5192591",NA,"C1=CC(=CC=C1C#CC(=O)O)[N+](=O)[O-]","SMMZCQTZVBTDLS-UHFFFAOYSA-N",247394,NA,"PDBC19819","61874","Present",NA,NA
+"19820","3-(4-Nitrophenylsulfonamido)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_015625",NA,"C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCCC(=O)O","WBULOUVRHAKHDN-UHFFFAOYSA-N",362739,NA,"PDBC19820","626994","Present",NA,NA
+"19821","3-(4-Nitropyrazol-1-yl)-1H-1,5-benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Nitropyrazol-1-yl)-1H-1,5-benzodiazepine",NA,"C1=CC=C2C(=C1)NC=C(C=N2)N3C=C(C=N3)[N+](=O)[O-]","GFHBFEKUBVXUBF-UHFFFAOYSA-N",367623,NA,"PDBC19821","637468","Present",NA,NA
+"19822","3-(4-Oxo-4H-3,1-benzoxazin-2-yl)benzyl imidothiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(4-Oxo-3,1-benzoxazin-2-yl)phenyl]methyl carbamimidothioate",NA,"C1=CC=C2C(=C1)C(=O)OC(=N2)C3=CC=CC(=C3)CSC(=N)N","DIXZVGWTNOJYMX-UHFFFAOYSA-N",331768,NA,"PDBC19822","326381","Present",NA,NA
+"19823","3-(4-Oxochromen-3-yl)selanylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Oxochromen-3-yl)selanylchromen-4-one",NA,"C1=CC=C2C(=C1)C(=O)C(=CO2)[Se]C3=COC4=CC=CC=C4C3=O","OILWFUALSBCTIE-UHFFFAOYSA-N",374556,NA,"PDBC19823","652531","Present",NA,NA
+"19824","3-(4-Pentadecylphenoxy)-1,2-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Pentadecylphenoxy)-1,2-propanediol",NA,"CCCCCCCCCCCCCCCC1=CC=C(C=C1)OCC(CO)O","DVARIDCYJRKBHF-UHFFFAOYSA-N",366843,NA,"PDBC19824","635819","Present",NA,NA
+"19825","3-(4-Pentenyl)-2-piperidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Pentenyl)-2-piperidinone",NA,"C=CCCCC1CCCNC1=O","WGNSWBMFWGQTPU-UHFFFAOYSA-N",373271,NA,"PDBC19825","649424","Present",NA,NA
+"19826","3-(4-Phenyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Phenyl-4H-1,2,4-triazol-3-yl)-1,2-benzisothiazole",NA,"C1=CC=C(C=C1)N2C=NN=C2C3=NSC4=CC=CC=C43","HJCDKNYWVQFARJ-UHFFFAOYSA-N",374734,NA,"PDBC19826","652926","Present",NA,NA
+"19827","3-(4-Phenylpiperazin-1-yl)-1-propyl-benzothiopheno[2,3-b]pyrazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Phenylpiperazin-1-yl)-1-propyl-benzothiopheno[2,3-b]pyrazin-2-one",NA,"CCCN1C2=C(N=C(C1=O)N3CCN(CC3)C4=CC=CC=C4)SC5=CC=CC=C52","GTWZBGCKINLREQ-UHFFFAOYSA-N",394670,NA,"PDBC19827","698272","Present",NA,NA
+"19828","3-(4-Phenylpiperazin-1-yl)propan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2187-2294",NA,"C1CN(CCN1CCCN)C2=CC=CC=C2","KNLCRNWJXCLJHQ-UHFFFAOYSA-N",261297,NA,"PDBC19828","93277","Present",NA,NA
+"19829","3-(4-Pyridyl)acrylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridineacrylic acid",NA,"C1=CN=CC=C1C=CC(=O)O","SSAYTINUCCRGDR-OWOJBTEDSA-N",736782,NA,"PDBC19829","830","Present",NA,NA
+"19830","3-(4-Quinazolinylamino)phenyl 2-chlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-quinazolinylamino)phenyl 2-chlorobenzoate",NA,"C1=CC=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)OC(=O)C4=CC=CC=C4Cl","RCXVWLCVTINCAH-UHFFFAOYSA-N",1187613,NA,"PDBC19830","728125","Present",NA,NA
+"19831","3-(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)-3-cyano-N-(2,4-dimethylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-[1,1'-Biphenyl]-4-yl-1,3-thiazol-2-yl)-3-cyano-N-(2,4-dimethylphenyl)-2-oxopropanamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)C4=CC=CC=C4)C","FNHZXNAMZYZLPH-UHFFFAOYSA-N",371970,NA,"PDBC19831","646786","Present",NA,NA
+"19832","3-(4-{4-Aminofuro[2,3-d]pyrimidin-5-yl}phenyl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW770249A///GW770249X",NA,"C1=CC(=CC=C1C2=COC3=NC=NC(=C23)N)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F","KNDPXYAMINMLED-UHFFFAOYSA-N",10113568,NA,"PDBC19832","756335///756336","Present",NA,NA
+"19833","3-(5,12-Dioxo-1,6-diazanaphthacene-11-yl)-4,9-diaza-8H-benzo[fg]naphthacene-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[2,3-b]acridine-5,12-dione, 11-(8-oxo-8H-benzo[mn]...",NA,"C1=CC=C2C(=C1)C3=C4C(=C(C=C3)C5=C6C(=NC7=CC=CC=C75)C(=O)C8=C(C6=O)N=CC=C8)C9=C(C=CC=N9)C(=O)C4=N2","VJZVLHAOKCPSFM-UHFFFAOYSA-N",393105,NA,"PDBC19833","694491","Present",NA,NA
+"19834","3-(5,5-Diphenyl-4H-isoxazol-2-ium-2-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5,5-Diphenyl-4H-isoxazol-2-ium-2-yl)propanoic acid",NA,"C1C=[N+](OC1(C2=CC=CC=C2)C3=CC=CC=C3)CCC(=O)O","FLGBTDXHTZDCSQ-UHFFFAOYSA-O",495302,NA,"PDBC19834","649439","Present",NA,NA
+"19835","3-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)benzo[h]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5,6-Dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2h-benzo[h]chromen-2-one",NA,"C1CN2C(=CSC2=N1)C3=CC4=C(C5=CC=CC=C5C=C4)OC3=O","HVXXGLDQWLGHNF-UHFFFAOYSA-N",403452,NA,"PDBC19835","718319","Present",NA,NA
+"19836","3-(5,6-Dimethyl-1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)-1-(4-methoxyph...",NA,"CC1=CC2=C(C=C1C)N=C(N2)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC=C(C=C6)OC","GKNLBSJNVFWGCV-UHFFFAOYSA-N",155811212,NA,"PDBC19836","764567","Present",NA,NA
+"19837","3-(5,6a-Dimethyl-3-oxo-7-propanoyloxy-2,4a,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromen-5-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5,6a-Dimethyl-3-oxo-7-propanoyloxy-2,4a,6,7,8,9,9a,9b-octahydro-1H-cyclopenta[f]chromen-5-yl)propanoic acid",NA,"CCC(=O)OC1CCC2C1(CC(C3C2CCC(=O)O3)(C)CCC(=O)O)C","MVEKQKDGIZGWCM-UHFFFAOYSA-N",254882,NA,"PDBC19837","79606","Present",NA,NA
+"19838","3-(5-((2-(3-Cyanophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)carbonyl)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-[2-(3-Cyanophenyl)-1,3-dioxo-isoindoline-5-carbonyl]-1,3-dioxo-isoindolin-2-yl]benzonitrile",NA,"C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=CC(=C6)C#N)C#N","ZBDYMRFBEARASG-UHFFFAOYSA-N",365546,NA,"PDBC19838","633250","Present",NA,NA
+"19839","3-(5-((4-(Hydroxy(oxido)amino)-1-methyl-1H-imidazol-5-yl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 3-[4-methyl-5-[(1-methyl-4-nitro-1H-imidazol-5...",NA,"CN1C=NC(=C1SC2=NN=C(N2C)C3=CN=CC=C3)[N+](=O)[O-]","RNYWSASYWOAECU-UHFFFAOYSA-N",364626,NA,"PDBC19839","631160","Present",NA,NA
+"19840","3-(5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-(3-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline",NA,"C1=CC=C(C=C1)N2C3=NC4=CC=CC=C4N=C3C(=N2)C5=NN=C(O5)C6=CC(=CC=C6)Cl","MTYANSFNPUYOIA-UHFFFAOYSA-N",365578,NA,"PDBC19840","633373","Present",NA,NA
+"19841","3-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-(4-Bromophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline",NA,"C1=CC=C(C=C1)N2C3=NC4=CC=CC=C4N=C3C(=N2)C5=NN=C(O5)C6=CC=C(C=C6)Br","LJCRVNKEMWFWLK-UHFFFAOYSA-N",365579,NA,"PDBC19841","633374","Present",NA,NA
+"19842","3-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline",NA,"C1=CC=C(C=C1)N2C3=NC4=CC=CC=C4N=C3C(=N2)C5=NN=C(O5)C6=CC=C(C=C6)Cl","NLTYUVDFWYHPTO-UHFFFAOYSA-N",365577,NA,"PDBC19842","633372","Present",NA,NA
+"19843","3-(5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-(4-Methylphenyl)-1,3,4-oxadiazol-2-yl)-1-phenyl-1H-pyrazolo[3,4-b]quinoxaline",NA,"CC1=CC=C(C=C1)C2=NN=C(O2)C3=NN(C4=NC5=CC=CC=C5N=C34)C6=CC=CC=C6","DWFLMLUPDGUBBY-UHFFFAOYSA-N",365575,NA,"PDBC19843","633370","Present",NA,NA
+"19844","3-(5-(Hydroxy(oxido)amino)tetrahydro-2-furanyl)-5-((methyl(1-methyl-2-phenylethyl)amino)methyl)-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-[[3-(5-nitrooxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylpropan-2-amine",NA,"CC(CC1=CC=CC=C1)N(C)CC2=NC(=NO2)C3CCC(O3)[N+](=O)[O-]","JXNOGAWCEGEVMX-UHFFFAOYSA-N",379971,NA,"PDBC19844","665278","Present",NA,NA
+"19845","3-(5-Amino-1,3,4-thiadiazol-2-yl)-7-methyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Amino-1,3,4-thiadiazol-2-yl)-7-methyl-1H-1,8-naphthyridin-4-one",NA,"CC1=NC2=C(C=C1)C(=O)C(=CN2)C3=NN=C(S3)N","SITGZPTWPSFRCB-UHFFFAOYSA-N",135426676,NA,"PDBC19845","706821","Present",NA,NA
+"19846","3-(5-Amino-1H-indol-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Aminoindol-3-ylpropionsaeure",NA,"C1=CC2=C(C=C1N)C(=CN2)CCC(=O)O","RVKGNYSFSWGPIJ-UHFFFAOYSA-N",247165,NA,"PDBC19846","61297","Present",NA,NA
+"19847","3-(5-Amino-[1, 4] Thiadiazole-2-yl Methyl)-6-Bromo-2-Methyl-3H Quinazolone 4-0ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Amino -[1, 3, 4] Thiadiazole - 2-yl Methyl) -6-Brom...",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2CC4=NN=C(S4)N","GSJBWTNJXNAUNS-UHFFFAOYSA-N",24204727,NA,"PDBC19847","732562","Present",NA,NA
+"19848","3-(5-Anilino-1,3,4-oxadiazol-2-yl)-1-(4-chlorophenyl)pyrazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Anilino-1,3,4-oxadiazol-2-yl)-1-(4-chlorophenyl)pyrazol-4-ol",NA,"C1=CC=C(C=C1)NC2=NN=C(O2)C3=NN(C=C3O)C4=CC=C(C=C4)Cl","MSCYCDDWOWJYKP-UHFFFAOYSA-N",406096,NA,"PDBC19848","724039","Present",NA,NA
+"19849","3-(5-Benzo[b]thiophen-3-yl-1H-indol-3-yl)-acrylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Benzo[b]thiophen-3-yl-1H-indol-3-yl)-acrylic acid e...",NA,"CCOC(=O)C=CC1=CC2=C(N1)C=CC(=C2)C3=CSC4=CC=CC=C43","JZLPSWRSPNJYQZ-CSKARUKUSA-N",45028592,NA,"PDBC19849","743441","Present",NA,NA
+"19850","3-(5-Benzyl-1,3,4-oxadiazole-2-yl)quinoline-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-benzyl-1,3,4-oxadiazol-2-yl)quinolin-2(1H)-one",NA,"C1=CC=C(C=C1)CC2=NN=C(O2)C3=CC4=CC=CC=C4NC3=O","QDQGRQAIKGROIM-UHFFFAOYSA-N",137082883,NA,"PDBC19850","776965","Present",NA,NA
+"19851","3-(5-Bromo-1-methylindol-3-yl)-4-(1-methylindol-3-yl)-1,2,5-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-bromo-1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-1,2,5-oxa...",NA,"CN1C=C(C2=C1C=CC(=C2)Br)C3=NON=C3C4=CN(C5=CC=CC=C54)C","PXYJEUYSWXKSSG-UHFFFAOYSA-N",155814079,NA,"PDBC19851","801544","Present",NA,NA
+"19852","3-(5-Bromo-1H-indol-3-yl)-4-(5-fluoro-1H-indol-3-yl)-1,2,5-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(5-bromo-1H-indol-3-yl)-1,2,5-oxadiazol-3-yl]-5-flu...",NA,"C1=CC2=C(C=C1F)C(=CN2)C3=NON=C3C4=CNC5=C4C=C(C=C5)Br","WKABEAYWNAUNOL-UHFFFAOYSA-N",155809393,NA,"PDBC19852","801520","Present",NA,NA
+"19853","3-(5-Bromo-3-oxoindol-2-yl)-2-hydroxy-1H-indole-5-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Bromo-3-oxoindol-2-yl)-2-hydroxy-1H-indole-5-sulfonic acid",NA,"C1=CC2=C(C=C1S(=O)(=O)O)C(=C(N2)O)C3=NC4=C(C3=O)C=C(C=C4)Br","MFZGNYCRRVSCEA-UHFFFAOYSA-N",403168,NA,"PDBC19853","717820","Present",NA,NA
+"19854","3-(5-Chloro-1,3-benzoxazol-2-yl)piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Chloro-1,3-benzoxazol-2-yl)piperidine-2,6-dione",NA,"C1CC(=O)NC(=O)C1C2=NC3=C(O2)C=CC(=C3)Cl","NKWDFVZWXCYEHO-UHFFFAOYSA-N",365993,NA,"PDBC19854","634159","Present",NA,NA
+"19855","3-(5-Chloro-1H-benzoimidazole-2-yl)-1,2-dihydroquinoline-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Chloro-1H-benzoimidazole-2-yl)-1,2-dihydroquinoline-2-one",NA,"C1=CC=C2C(=C1)C=C(C(=O)N2)C3=NC4=C(N3)C=C(C=C4)Cl","DXOHCQPYGGDAGK-UHFFFAOYSA-N",135863082,NA,"PDBC19855","749046","Present",NA,NA
+"19856","3-(5-Chloro-2-Hydroxy-4,6-dimethylphenyl)-5-(4-chlorophenyl)-1-(4-sulfamylphenyl)-2-pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-chloro-2-Hydroxy-4,6-dimethylphenyl)-5-(4-chlorophe...",NA,"CC1=CC(=C(C(=C1Cl)C)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N)O","VMRAHOINNVRMNQ-UHFFFAOYSA-N",135968265,NA,"PDBC19856","749121","Present",NA,NA
+"19857","3-(5-Chloro-2-Hydroxy-4,6-dimethylphenyl)-5-(4-dimethylaminophenyl)-1-(4-sulfamylphenyl)-2-pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-chloro-2-Hydroxy-4,6-dimethylphenyl)-5-(4-dimethyla...",NA,"CC1=CC(=C(C(=C1Cl)C)C2=NN(C(C2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)S(=O)(=O)N)O","ZPBDJWCOJUCPLZ-UHFFFAOYSA-N",135968266,NA,"PDBC19857","749122","Present",NA,NA
+"19858","3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-chlorophenyl)-1-(4-sulfamylphenyl)-2-pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-chlorophenyl)...",NA,"CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C3=CC=CC=C3Cl)C4=CC=C(C=C4)S(=O)(=O)N)O","PUPBQXYQKQWRSV-UHFFFAOYSA-N",135968247,NA,"PDBC19858","750147","Present",NA,NA
+"19859","3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(2-hydroxyphenyl...",NA,"CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C3=CC=CC=C3O)C4=CC=C(C=C4)S(=O)(=O)N)O","ORIVTYHQODIOFJ-UHFFFAOYSA-N",135968246,NA,"PDBC19859","750146","Present",NA,NA
+"19860","3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(3,4-dimethoxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(3,4-dimethoxyph...",NA,"CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)S(=O)(=O)N)O","KESFQAMWJBXFEV-UHFFFAOYSA-N",135968244,NA,"PDBC19860","750144","Present",NA,NA
+"19861","3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(3,5-trimethoxyphenyl)-1-(4-sulfamylphenyl)-2-pyrazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Chloro-2-hydroxy-4-methylphenyl)-5-(3,4,5-trimethox...",NA,"CC1=CC(=C(C=C1Cl)C2=NN(C(C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)S(=O)(=O)N)O","SUFYGVHMZWBEIF-UHFFFAOYSA-N",135968245,NA,"PDBC19861","750145","Present",NA,NA
+"19862","3-(5-Chloro-4,7-dihydroxy-3-methyl-2-phenoxy-1H-inden-1-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Chloro-4,7-dihydroxy-3-methyl-2-phenoxy-1H-inden-1-yl)propanoic acid",NA,"CC1=C(C(C2=C1C(=C(C=C2O)Cl)O)CCC(=O)O)OC3=CC=CC=C3","KKRONXYHJSQOBI-UHFFFAOYSA-N",359522,NA,"PDBC19862","620505","Present",NA,NA
+"19863","3-(5-Chlorobenzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, 2HCl salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-chlorobenzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H...",NA,"C1CNCCC1N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=C(O4)C=CC(=C5)Cl.Cl","DJRBYUXIIAIANJ-UHFFFAOYSA-N",54613588,NA,"PDBC19863","748338","Present",NA,NA
+"19864","3-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylquinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Cyclopropyl-1,3,4-thiadiazol-2-yl)-5-fluoro-2-methylquinazolin-4(3H)-one",NA,"CC1=NC2=C(C(=CC=C2)F)C(=O)N1C3=NN=C(S3)C4CC4","SIYPCNYJTHBCDE-UHFFFAOYSA-N",379111,NA,"PDBC19864","663325","Present",NA,NA
+"19865","3-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1,2-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Ethyl-1,3,4-thiadiazol-2-yl)-1,2-benzisothiazole",NA,"CCC1=NN=C(S1)C2=NSC3=CC=CC=C32","VHLIHEKBIKEZQL-UHFFFAOYSA-N",374726,NA,"PDBC19865","652918","Present",NA,NA
+"19866","3-(5-Ethylpyridin-2-yl)propanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC35989",NA,"CCC1=CN=C(C=C1)CCC(=O)O.Cl","DRNYNJLWQSQVPU-UHFFFAOYSA-N",54601075,NA,"PDBC19866","35989","Present",NA,NA
+"19867","3-(5-Fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-N-(2-((3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanoyl)(methyl)amino)ethyl)-N-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-N-[2-[3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoyl-methylamino]ethyl]-N-methylpropanamide",NA,"CN(CCN(C)C(=O)CCN1C=C(C(=O)NC1=O)F)C(=O)CCN2C=C(C(=O)NC2=O)F","XXKZDRVPPHNQSL-UHFFFAOYSA-N",376204,NA,"PDBC19867","656741","Present",NA,NA
+"19868","3-(5-Hydroxy-1-benzofuran-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Hydroxy-1-benzofuran-3-yl)propanoic acid",NA,"C1=CC2=C(C=C1O)C(=CO2)CCC(=O)O","QLXCHSMARQKROJ-UHFFFAOYSA-N",361589,NA,"PDBC19868","624770","Present",NA,NA
+"19869","3-(5-Hydroxy-2-pyridinyl)-N-(trifluoroacetyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Hydroxy-2-pyridinyl)-N-(trifluoroacetyl)alanine",NA,"C1=CC(=NC=C1O)CC(C(=O)O)NC(=O)C(F)(F)F","ADFNZYGKOGQTTA-UHFFFAOYSA-N",385338,NA,"PDBC19869","676456","Present",NA,NA
+"19870","3-(5-Hydroxy-7-isopropoxy-2H-chromen-4-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-hydroxy-7-isopropoxy-2H-chromen-4-yl)propanoic acid",NA,"CC(C)OC1=CC(=C2C(=CCOC2=C1)CCC(=O)O)O","OGNGAQZZEMFRBE-UHFFFAOYSA-N",273497,NA,"PDBC19870","118770","Present",NA,NA
+"19871","3-(5-Methoxy-1-benzofuran-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Methoxy-1-benzofuran-3-yl)propanoic acid",NA,"COC1=CC2=C(C=C1)OC=C2CCC(=O)O","VZPMUJFKNXHPCE-UHFFFAOYSA-N",361591,NA,"PDBC19871","624772","Present",NA,NA
+"19872","3-(5-Methoxy-2-oxo-7-phenylmethoxychromen-4-yl)propanoic acid;3-(7-methoxy-2-oxo-5-phenylmethoxychromen-4-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Methoxy-2-oxo-7-phenylmethoxychromen-4-yl)propanoic acid;3-(7-methoxy-2-oxo-5-phenylmethoxychromen-4-yl)propanoic acid",NA,"COC1=CC2=C(C(=CC(=O)O2)CCC(=O)O)C(=C1)OCC3=CC=CC=C3.COC1=CC(=CC2=C1C(=CC(=O)O2)CCC(=O)O)OCC3=CC=CC=C3","CTQHVQPXRZRRHJ-UHFFFAOYSA-N",273493,NA,"PDBC19872","118767","Present",NA,NA
+"19873","3-(5-Methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Methyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"CC1=CN=C(S1)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","JVFIYTWWMNJCEX-UHFFFAOYSA-N",24204100,NA,"PDBC19873","730594","Present",NA,NA
+"19874","3-(5-Methyl-2-pyridinyl)-1,5-pentanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Methyl-2-pyridinyl)-1,5-pentanediol",NA,"CC1=CN=C(C=C1)C(CCO)CCO","KBKLGHQPXGVYAR-UHFFFAOYSA-N",386848,NA,"PDBC19874","679582","Present",NA,NA
+"19875","3-(5-Methyl-4-nitroso-1H-pyrazol-3-yl)isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Methyl-4-nitroso-1H-pyrazol-3-yl)isoxazole",NA,"CC1=C(C(=NN1)C2=NOC=C2)N=O","ZFRMBJNWECXXLQ-UHFFFAOYSA-N",330583,NA,"PDBC19875","319662","Present",NA,NA
+"19876","3-(5-Methylsulfanyl-3-oxo-1,2,4-triazin-2-yl)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Methylsulfanyl-3-oxo-1,2,4-triazin-2-yl)propanenitrile",NA,"CSC1=NC(=O)N(N=C1)CCC#N","HRYBLBWLZJBHGG-UHFFFAOYSA-N",356473,NA,"PDBC19876","612238","Present",NA,NA
+"19877","3-(5-Nitro-2-furyl)-2-(benzyl-1,4-triazol-2-yl)-acrylonitr ile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-nitro-2-furyl)-2-(benzyl-1,3,4-triazol-2-yl)-acrylo...",NA,"C1=CC=C(C=C1)CC2=NC(=NN2)C(=CC3=CC=C(O3)[N+](=O)[O-])C#N","NTIDGBCKTXTYPD-FMIVXFBMSA-N",5472657,NA,"PDBC19877","720628","Present",NA,NA
+"19878","3-(5-Nitro-[1,2,4]triazol-1-yl)-propane-1-sulfonic acid, [2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl]-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Methyl-5-nitroimidazolyl)-ethyl]-3-(3-nitro-1,2,...",NA,"CC1=NC=C(N1CCNS(=O)(=O)CCCN2C(=NC=N2)[N+](=O)[O-])[N+](=O)[O-]","LWQJDQZVQSLPNG-UHFFFAOYSA-N",375690,NA,"PDBC19878","655548","Present",NA,NA
+"19879","3-(5-Oxo-5H-benzo[a]phenoxazin-9-yl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Oxo-5H-benzo[a]phenoxazin-9-yl)alanine",NA,"C1=CC=C2C(=C1)C(=O)C=C3C2=NC4=C(O3)C=C(C=C4)CC(C(=O)O)N","NZELGSWHCAMWKR-UHFFFAOYSA-N",376551,NA,"PDBC19879","657566","Present",NA,NA
+"19880","3-(5-Phenyl-1H-pyrrol-2-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4Q5L9NX4R8",NA,"C1=CC=C(C=C1)C2=CC=C(N2)CCC(=O)O","RSKVDNXGAFVGIU-UHFFFAOYSA-N",96467,NA,"PDBC19880","75600","Present",NA,NA
+"19881","3-(5-Quinolinylimino)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Quinolinylimino)-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C2C(=C1)C(=NC3=CC=CC4=C3C=CC=N4)C(=O)N2","FEMNWLUUNIQGHS-UHFFFAOYSA-N",135451592,NA,"PDBC19881","117198","Present",NA,NA
+"19882","3-(5-Tert-Butyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Tert-Butyl-1H-pyrazol-3-yl)-N-(4-methoxyphenyl)propanamide",NA,"CC(C)(C)C1=NNC(=C1)CCC(=O)NC2=CC=C(C=C2)OC","HYVMARKFMHAXIR-UHFFFAOYSA-N",364359,NA,"PDBC19882","630370","Present",NA,NA
+"19883","3-(5-Tert-Butyl-2-oxocyclohexyl)-1-(4-methoxyphenyl)-2,5-pyrrolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Tert-Butyl-2-oxocyclohexyl)-1-(4-methoxyphenyl)-2,5-pyrrolidinedione",NA,"CC(C)(C)C1CCC(=O)C(C1)C2CC(=O)N(C2=O)C3=CC=C(C=C3)OC","ZJAKQAZFSNFVHD-UHFFFAOYSA-N",376300,NA,"PDBC19883","657015","Present",NA,NA
+"19884","3-(5-Thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,4,5-trichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(2,4,5-trichlorophenyl)propanamide",NA,"C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCC2=NC(=S)NN2","JZUHCNSDUBXMIG-UHFFFAOYSA-N",3004073,NA,"PDBC19884","625824","Present",NA,NA
+"19885","3-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-N-(2,4,5-trichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-N-(2,4,5-trichlorophenyl)propanamide",NA,"C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCC2=NNC(=S)O2","QDGSWJWHDBXISH-UHFFFAOYSA-N",3004199,NA,"PDBC19885","636093","Present",NA,NA
+"19886","3-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-N-(2-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-N-(2-(trifluoromethyl)phenyl)propanamide",NA,"C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCC2=NNC(=S)O2","SMEGDNSACNQRSQ-UHFFFAOYSA-N",3004206,NA,"PDBC19886","636107","Present",NA,NA
+"19887","3-(5-Thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-Thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,"C1=CC(=CC(=C1)NC(=O)CCC2=NC(=S)NN2)C(F)(F)F","VPBOXSVRNCVRNZ-UHFFFAOYSA-N",3004190,NA,"PDBC19887","635549","Present",NA,NA
+"19888","3-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)propanoic acid",NA,"C1C2=CN=C(N=C2C3=CC=CC=C3O1)NCCC(=O)O","LPWJVAXSPFRABS-UHFFFAOYSA-N",390582,NA,"PDBC19888","688105","Present",NA,NA
+"19889","3-(6-(1,3-Benzodioxol-5-ylmethylene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6Z)-6-(1,3-Benzodioxol-5-ylmethylidene)-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N4C(=NN=C4S3)CCC(=O)NC5=C(C=CC(=C5)Cl)Cl","RKUQFTYFSYZMJE-IUXPMGMMSA-N",5388391,NA,"PDBC19889","635543","Present",NA,NA
+"19890","3-(6-(2,4-Dichlorobenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,4,5-trichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6Z)-6-[(2,4-Dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,4,5-trichlorophenyl)propanamide",NA,"C1=CC(=C(C=C1Cl)Cl)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC(=C(C=C4Cl)Cl)Cl","XEDMPWJCRXPRIG-BNCCVWRVSA-N",5388306,NA,"PDBC19890","634667","Present",NA,NA
+"19891","3-(6-(2-(Hydroxy(oxido)amino)benzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,4,5-trichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6Z)-6-[(2-Nitrophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,4,5-trichlorophenyl)propanamide",NA,"C1=CC=C(C(=C1)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC(=C(C=C4Cl)Cl)Cl)[N+](=O)[O-]","KOFGADPCOVJNNA-APSNUPSMSA-N",5388386,NA,"PDBC19891","635536","Present",NA,NA
+"19892","3-(6-(2-Chlorobenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6Z)-6-[(2-Chlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide",NA,"C1=CC=C(C(=C1)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=C(C=CC(=C4)Cl)Cl)Cl","SKPZHUYUYHUEPT-SXGWCWSVSA-N",5388311,NA,"PDBC19892","634672","Present",NA,NA
+"19893","3-(6-(3,4-Dichlorobenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(3,4-dichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-3-[(6Z)-6-[(3,4-dichlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide",NA,"C1=CC(=C(C=C1C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC(=C(C=C4)Cl)Cl)Cl)Cl","ANKSQCATFOIWHW-PXNMLYILSA-N",5387700,NA,"PDBC19893","625831","Present",NA,NA
+"19894","3-(6-(3-(Hydroxy(oxido)amino)benzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(4-methylphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylphenyl)-3-[(6Z)-6-[(3-nitrophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide",NA,"CC1=CC=C(C=C1)NC(=O)CCC2=NN=C3N2C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])S3","IPBJDLCUXJYWLD-ATVHPVEESA-N",5388398,NA,"PDBC19894","635553","Present",NA,NA
+"19895","3-(6-(4-(Acetylamino)benzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2-chlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6Z)-6-[(4-Acetamidophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2-chlorophenyl)propanamide",NA,"CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC=CC=C4Cl","GMFKWGHTOCXOHC-PDGQHHTCSA-N",5388310,NA,"PDBC19895","634671","Present",NA,NA
+"19896","3-(6-(4-(Dimethylamino)benzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,6-dimethylphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6Z)-6-[[4-(Dimethylamino)phenyl]methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,6-dimethylphenyl)propanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCC2=NN=C3N2C(=O)C(=CC4=CC=C(C=C4)N(C)C)S3","BPLCLLASTFHUSQ-RGEXLXHISA-N",5387698,NA,"PDBC19896","625829","Present",NA,NA
+"19897","3-(6-(4-Chlorobenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,6-dimethylphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6Z)-6-[(4-Chlorophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,6-dimethylphenyl)propanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCC2=NN=C3N2C(=O)C(=CC4=CC=C(C=C4)Cl)S3","QSWGTKLVHUKLPZ-ATVHPVEESA-N",5388394,NA,"PDBC19897","635548","Present",NA,NA
+"19898","3-(6-(4-Methoxybenzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(3-(trifluoromethyl)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6Z)-6-[(4-Methoxyphenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC=CC(=C4)C(F)(F)F","ZGSQXJDKPNRYSI-BOPFTXTBSA-N",5387696,NA,"PDBC19898","625826","Present",NA,NA
+"19899","3-(6-Acetyl-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Acetyl-1,3,5,7-tetraoxo-3,5,6,7-tetrahydropyrrolo[3,4-f]isoindol-2(1H)-yl)benzonitrile",NA,"CC(=O)N1C(=O)C2=C(C1=O)C=C3C(=C2)C(=O)N(C3=O)C4=CC=CC(=C4)C#N","HOGQMAJDYMOZDI-UHFFFAOYSA-N",365551,NA,"PDBC19899","633257","Present",NA,NA
+"19900","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2,4-bis(hydroxy(oxido)amino)phenyl)-2-hydrazonopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2,4-bis(hydroxy(oxido)amino)phenyl)-2-hydrazonopropanamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=NN)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","AXOIWUIQJOTEHX-BRPDVVIDSA-N",5916053,NA,"PDBC19900","642046","Present",NA,NA
+"19901","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]-2-oxopropanamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C(=O)NC4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]","GYRWLEIGBNHTRK-UHFFFAOYSA-N",371998,NA,"PDBC19901","646814","Present",NA,NA
+"19902","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-2-oxopropanamide",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)[N+](=O)[O-]","ZVUZGBIMPSVSRT-UHFFFAOYSA-N",372882,NA,"PDBC19902","648594","Present",NA,NA
+"19903","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)phenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)phenyl)-2-oxopropanamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C(=O)NC4=CC=CC=C4[N+](=O)[O-]","UQWYHDAVYLDOCZ-UHFFFAOYSA-N",372898,NA,"PDBC19903","648610","Present",NA,NA
+"19904","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-bromophenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-bromophenyl)-2-oxopropanamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=O)C(=O)NC4=CC=C(C=C4)Br","PNKISBTXXXXQFZ-UHFFFAOYSA-N",372896,NA,"PDBC19904","648608","Present",NA,NA
+"19905","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-chloro-2-methylphenyl)-2-(isonicotinoylhydrazono)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[3-(6-Benzoyl-3-oxo-4H-quinoxalin-2-yl)-1-(4-chloro-2-methylanilino)-1-oxopropan-2-ylidene]amino]pyridine-4-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=NNC(=O)C2=CC=NC=C2)CC3=NC4=C(C=C(C=C4)C(=O)C5=CC=CC=C5)NC3=O","LTNPZBURFZHTKJ-NXEFEZKASA-N",5900390,NA,"PDBC19905","648653","Present",NA,NA
+"19906","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(4-chloro-2-methylphenyl)-2-oxopropanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O","XEUIOUDXLXHMEY-UHFFFAOYSA-N",371999,NA,"PDBC19906","646815","Present",NA,NA
+"19907","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(5-(hydroxy(oxido)amino)-2-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-(5-(hydroxy(oxido)amino)-2-methylphenyl)-2-oxopropanamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O","YUANUIYIQYVZJR-UHFFFAOYSA-N",372000,NA,"PDBC19907","646816","Present",NA,NA
+"19908","3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-butyl-N-ethyl-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Benzoyl-3-hydroxy-2-quinoxalinyl)-N-butyl-N-ethyl-2-oxopropanamide",NA,"CCCCN(CC)C(=O)C(=O)CC1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O","XUGIPIDVNFAXSM-UHFFFAOYSA-N",371985,NA,"PDBC19908","646800","Present",NA,NA
+"19909","3-(6-Benzylidene-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)-N-(2,5-dichlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6Z)-6-Benzylidene-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]-N-(2,5-dichlorophenyl)propanamide",NA,"C1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=C(C=CC(=C4)Cl)Cl","UACMQTLRFLWSIU-YBEGLDIGSA-N",5388395,NA,"PDBC19909","635550","Present",NA,NA
+"19910","3-(6-Bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Bromo-1,3-benzodioxol-5-yl)-3-hydroxy-3-(3,4,5-trimethoxyphenyl)propanenitrile",NA,"COC1=CC(=CC(=C1OC)OC)C(CC#N)(C2=CC3=C(C=C2Br)OCO3)O","ILGWFOAENWTHCZ-UHFFFAOYSA-N",392686,NA,"PDBC19910","693404","Present",NA,NA
+"19911","3-(6-Bromo-3-methyl-4-oxoquinazolin-2-yl)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Bromo-3-methyl-4-oxo-3,4-dihydroquinazolin-2-yl)propanenitrile",NA,"CN1C(=NC2=C(C1=O)C=C(C=C2)Br)CCC#N","CVQGKLBWTGUTBE-UHFFFAOYSA-N",369096,NA,"PDBC19911","640653","Present",NA,NA
+"19912","3-(6-Bromohexyl)-13-hydroxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(6-Bromohexyl)-6-hydroxy-12,13-dihydro-5H-indolo[2,3-...",NA,"C1=CC=C2C(=C1)C3=C4C(=C5C6=CC=CC=C6N(C5=C3N2)CCCCCCBr)C(=O)N(C4=O)O","HBHZVDAQXJCZJT-UHFFFAOYSA-N",155812231,NA,"PDBC19912","783509","Present",NA,NA
+"19913","3-(6-Chloro-1H-benzimidazol-2-yl)-1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-chloro-1H-benzo[d]imidazol-2-yl)-1-(4-fluorophenyl)...",NA,"C1=CC=C2C(=C1)C3=CC(=NC(=C3N2)C4=CC=C(C=C4)F)C5=NC6=C(N5)C=C(C=C6)Cl","QCTDBBGROYUUOS-UHFFFAOYSA-N",155810036,NA,"PDBC19913","765810","Present",NA,NA
+"19914","3-(6-Chloro-3-hydroxy-2-quinoxalinyl)-N-(2,5-dimethoxyphenyl)-2,4-dioxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Chloro-3-hydroxy-2-quinoxalinyl)-N-(2,5-dimethoxyphenyl)-2,4-dioxopentanamide",NA,"CC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=C(C=CC(=C3)OC)OC","YXNCNEACHWMYFR-UHFFFAOYSA-N",369271,NA,"PDBC19914","641002","Present",NA,NA
+"19915","3-(6-Chloro-3-hydroxy-2-quinoxalinyl)-N-(3-methoxyphenyl)-2,4-dioxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Chloro-3-hydroxy-2-quinoxalinyl)-N-(3-methoxyphenyl)-2,4-dioxopentanamide",NA,"CC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC(=CC=C3)OC","DIYOZQSDQNTJCS-UHFFFAOYSA-N",369272,NA,"PDBC19915","641003","Present",NA,NA
+"19916","3-(6-Chloroimidazo[1,2-a]pyridin-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801493",NA,"C1=CC(=CC(=C1)O)C2=CN3C=C(C=CC3=N2)Cl","KCUZXFOLZTYCHB-UHFFFAOYSA-N",398301,NA,"PDBC19916","708015","Present",NA,NA
+"19917","3-(6-Ethyl-2-mercapto-4-pyrimidinyl)-N-(2-(hydroxy(oxido)amino)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Ethyl-2-mercapto-4-pyrimidinyl)-N-(2-(hydroxy(oxido)amino)phenyl)propanamide",NA,"CCC1=NC(=S)NC(=C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-]","OHVTYYKVTDDFKU-UHFFFAOYSA-N",3004142,NA,"PDBC19917","631688","Present",NA,NA
+"19918","3-(6-Fluoro-1H-benzimidazol-2-yl)-1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(5-fluoro-1H-benzo[d]imidazol-2-yl)-1-(4-methoxyphenyl...",NA,"COC1=CC=C(C=C1)C2=C3C(=CC(=N2)C4=NC5=C(N4)C=C(C=C5)F)C6=CC=CC=C6N3","LEUJGIOGEOGCGJ-UHFFFAOYSA-N",155816045,NA,"PDBC19918","765814","Present",NA,NA
+"19919","3-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)-1-phenyl-2-naphthoic acid",NA,"C1=CC=C(C=C1)C2=C(C(=CC3=CC=CC=C32)C4=C5C=CC(=O)C=C5OC6=C4C=CC(=C6)O)C(=O)O","BCEZAFKVPCTVIX-UHFFFAOYSA-N",408250,NA,"PDBC19919","12181","Present",NA,NA
+"19920","3-(6-Hydroxytetrahydro-2H-pyran-2-ylidene)-2,4-pentanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Hydroxytetrahydro-2H-pyran-2-ylidene)-2,4-pentanedione",NA,"CC(=O)C(=C1CCCC(O1)O)C(=O)C","FWMZGALUJKEPST-UHFFFAOYSA-N",379532,NA,"PDBC19920","664195","Present",NA,NA
+"19921","3-(6-Mercapto-9H-purin-9-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Mercapto-9H-purin-9-yl)propanoic acid",NA,"C1=NC(=S)C2=C(N1)N(C=N2)CCC(=O)O","ZDOQZHPZIGZOFO-UHFFFAOYSA-N",3246295,NA,"PDBC19921","80727","Present",NA,NA
+"19922","3-(6-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,"CC1=CC2=C(CC(C2=O)C3C4=CC=CC=C4C(=O)O3)C=C1","DWMXEWMVJGLXMV-UHFFFAOYSA-N",385678,NA,"PDBC19922","677024","Present",NA,NA
+"19923","3-(6-Nitro-1,3-benzoxazol-2-yl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Nitro-1,3-benzoxazol-2-yl)chromen-2-one",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=C(O3)C=C(C=C4)[N+](=O)[O-]","LKYQWIQQBVYNJW-UHFFFAOYSA-N",395986,NA,"PDBC19923","701110","Present",NA,NA
+"19924","3-(6-Tert-Butyl-2-(cyanoamino)-4-pyrimidinyl)-N-(4-chlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Tert-Butyl-2-(cyanoamino)-4-pyrimidinyl)-N-(4-chlorophenyl)propanamide",NA,"CC(C)(C)C1=NC(=NC(=C1)CCC(=O)NC2=CC=C(C=C2)Cl)NC#N","FITGPYZTDNWNIH-UHFFFAOYSA-N",364870,NA,"PDBC19924","631682","Present",NA,NA
+"19925","3-(6-Tert-Butyl-2-mercapto-1,2-dihydro-4-pyrimidinyl)-N-(2-(hydroxy(oxido)amino)phenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Tert-Butyl-2-mercapto-1,2-dihydro-4-pyrimidinyl)-N-(2-(hydroxy(oxido)amino)phenyl)propanamide",NA,"CC(C)(C)C1=NC(NC(=C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])S","IFEVIMUMOHZOKT-UHFFFAOYSA-N",364858,NA,"PDBC19925","631671","Present",NA,NA
+"19926","3-(6-Tert-Butyl-2-mercapto-4-pyrimidinyl)-N-(3,4-dimethylphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Tert-Butyl-2-mercapto-4-pyrimidinyl)-N-(3,4-dimethylphenyl)propanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CCC2=CC(=NC(=S)N2)C(C)(C)C)C","KEPSYAOVNKHRQY-UHFFFAOYSA-N",3004124,NA,"PDBC19926","630364","Present",NA,NA
+"19927","3-(6-Tert-Butyl-2-mercapto-4-pyrimidinyl)-N-(4-chlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Tert-Butyl-2-mercapto-4-pyrimidinyl)-N-(4-chlorophenyl)propanamide",NA,"CC(C)(C)C1=NC(=S)NC(=C1)CCC(=O)NC2=CC=C(C=C2)Cl","HQVJAGCOCGMJSU-UHFFFAOYSA-N",3004141,NA,"PDBC19927","631663","Present",NA,NA
+"19928","3-(6/7-Trifluoro-3-methyl-1,4,5-trimethoxy-phenyl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6/7-trifluoro-3-methyl-1,4-dioxy-quinoxaline-2-yl)-1-...",NA,"CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)C(F)(F)F)C=CC(=O)C3=CC(=C(C(=C3)OC)OC)OC","HYFFCABIVJHXCI-BQYQJAHWSA-N",54613307,NA,"PDBC19928","751152","Present",NA,NA
+"19929","3-(6H-Indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6H-Indolo[3,2-b]quinoxalin-3-yl)-6H-indolo[3,2-b]quinoxaline",NA,"C1=CC=C2C(=C1)C3=NC4=C(C=C(C=C4)C5=CC6=C(C=C5)N=C7C8=CC=CC=C8NC7=N6)N=C3N2","OEXYMCOIPJJMFP-UHFFFAOYSA-N",5470129,NA,"PDBC19929","697879","Present",NA,NA
+"19930","3-(7-(Dimethylamino)-2-oxo-2H-chromen-3-yl)-2,2-c]chromen-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-2,5-dihydro-...",NA,"CC(=O)OC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)C4=CC5=C(C=C(C=C5)N(C)C)OC4=O","JHQXIEOZOOBWEV-UHFFFAOYSA-N",45028498,NA,"PDBC19930","742949","Present",NA,NA
+"19931","3-(7-(Dimethylamino)-2-oxo-2H-chromen-3-yl)-5-hydroxypyrano[3,2-c]chromen-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(7-(dimethylamino)-2-oxo-2H-chromen-3-yl)-5-hydroxypyr...",NA,"CN(C)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC4=C(C5=CC=CC=C5OC4O)OC3=O","RDRHOWMSUBIJDP-UHFFFAOYSA-N",45028499,NA,"PDBC19931","742950","Present",NA,NA
+"19932","3-(7-Benzyloxy-2,4-dimethoxy-5-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(7-Benzyloxy-2,2-dimethylchroman-6-yl)-1-[2,4-dimethox...",NA,"CC(=CCC1=CC(=C(C=C1OC)OC)C(=O)C=CC2=C(C=C3C(=C2)CCC(O3)(C)C)OCC4=CC=CC=C4)C","DVDOOKZOWULHBN-CCEZHUSRSA-N",10839859,NA,"PDBC19932","749212","Present",NA,NA
+"19933","3-(7-Hydroxy-2-oxo-2H-chromen-4-yl)-N-(2-methyl-5-nitro-phenyl)-2-oxo-propionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(7-Hydroxy-2-oxo-2H-chromen-4-yl)-N-(2-methyl-5-nitro-phenyl)-2-oxo-propionamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O","ZJCNOBLJMMWFRC-UHFFFAOYSA-N",5466735,NA,"PDBC19933","641999","Present",NA,NA
+"19934","3-(7-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(7-Methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,"CC1=C2C(=CC=C1)CC(C2=O)C3C4=CC=CC=C4C(=O)O3","HCDFFCVIXIBEMA-UHFFFAOYSA-N",385684,NA,"PDBC19934","677030","Present",NA,NA
+"19935","3-(7H-Benzo[a]phenalen-6-ylmethyl)benzothiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(7H-Benzo[a]phenalen-6-ylmethyl)benzothiophene",NA,"C1C2=CC=CC=C2C3=CC=CC4=C3C1=C(C=C4)CC5=CSC6=CC=CC=C65","IVMQMUUDYJMRCA-UHFFFAOYSA-N",365539,NA,"PDBC19935","633239","Present",NA,NA
+"19936","3-(8-(4-Amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)octyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(8-(4-Amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)octyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-ylamine",NA,"COC1=CC=C(C=C1)C2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)C4=CC=C(C=C4)OC","JUYVFQLAMLAWIQ-UHFFFAOYSA-N",382826,NA,"PDBC19936","670562","Present",NA,NA
+"19937","3-(8-(Carboxymethoxy)-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(8-(Carboxymethoxy)-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid",NA,"C1CC2=C(C(=CC=C2)OCC(=O)O)C(=O)C1CCC(=O)O","UBVWXAZWNFVASH-UHFFFAOYSA-N",361596,NA,"PDBC19937","624777","Present",NA,NA
+"19938","3-(8-(Carboxymethoxy)-7-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(8-(Carboxymethoxy)-7-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid",NA,"COC1=C(C2=C(CCC(C2=O)CCC(=O)O)C=C1)OCC(=O)O","PMCYQKDNKWCWAV-UHFFFAOYSA-N",361586,NA,"PDBC19938","624767","Present",NA,NA
+"19939","3-(8-Hydroxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(8-Hydroxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid",NA,"C1CC2=C(C(=CC=C2)O)C(=O)C1CCC(=O)O","DSGYEDWJTLMBRN-UHFFFAOYSA-N",361599,NA,"PDBC19939","624780","Present",NA,NA
+"19940","3-(8-Hydroxy-7-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(8-Hydroxy-7-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoic acid",NA,"COC1=C(C2=C(CCC(C2=O)CCC(=O)O)C=C1)O","MYIQXOWJCMLNAK-UHFFFAOYSA-N",361587,NA,"PDBC19940","624768","Present",NA,NA
+"19941","3-(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-3-yl)propanoic acid",NA,"COC1=C2C3=C(CCC(C3=CO2)CCC(=O)O)C=C1","GAMAFQOPMISSCA-UHFFFAOYSA-N",361584,NA,"PDBC19941","624765","Present",NA,NA
+"19942","3-(9-Acridinylamino)-5-methyl-2-phenyl-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(9-Acridinylamino)-5-methyl-2-phenyl-1,3-thiazolidin-4-one",NA,"CC1C(=O)N(C(S1)C2=CC=CC=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53","NMQHAXOMRNMCCO-UHFFFAOYSA-N",372838,NA,"PDBC19942","648496","Present",NA,NA
+"19943","3-(9-Amino-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(9-Amino-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6,7-dimethoxy-3H-2-benzofuran-1-one;hydrochloride",NA,"CN1CCC2=C(C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2N)OCO5)OC.Cl","MPAIWWBSBVZKPH-UHFFFAOYSA-N",45028024,NA,"PDBC19943","740642","Present",NA,NA
+"19944","3-(9-Benzyl-2-isopropyl-3-methoxycarbonyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(9-Benzyl-2-isopropyl-3-methoxycarbonyl-3,4-dihydro-1H-pyrido[3,4-b]indol-1-yl)propanoic acid",NA,"CC(C)N1C(CC2=C(C1CCC(=O)O)N(C3=CC=CC=C23)CC4=CC=CC=C4)C(=O)OC","PNCBQRPXYQKVKN-UHFFFAOYSA-N",363939,NA,"PDBC19944","629428","Present",NA,NA
+"19945","3-(9-Methyl-3,4-dihydropyrido[3,4-b]indol-1-yl)tetrahydropyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(9-Methyl-3,4-dihydropyrido[3,4-b]indol-1-yl)tetrahydropyran-2-one",NA,"CN1C2=CC=CC=C2C3=C1C(=NCC3)C4CCCOC4=O","CNOFLJBZQWKOIN-UHFFFAOYSA-N",384341,NA,"PDBC19945","674029","Present",NA,NA
+"19946","3-(9-Phenanthryl)-2-phenylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.537.385C",NA,"C1=CC=C(C=C1)C(=CC2=CC3=CC=CC=C3C4=CC=CC=C42)C#N","IVMUXVJUQKUNTR-HMMYKYKNSA-N",5388799,NA,"PDBC19946","638632","Present",NA,NA
+"19947","3-(9-Tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(9-tert-butyl-3-azaspiro[5.5]undecan-3-yl)-N,N-dimethy...",NA,"CC(C)(C)C1CCC2(CC1)CCN(CC2)CCCN(C)C.Cl","BHZNRXGJZXJXDO-UHFFFAOYSA-N",54605840,NA,"PDBC19947","64875","Present",NA,NA
+"19948","3-(9H-Fluoren-9-yl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(9H-Fluoren-9-yl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)C2C3=CC=CC=C3C4=CC=CC=C24","PKRRPLNMRRULFN-UHFFFAOYSA-N",389910,NA,"PDBC19948","686562","Present",NA,NA
+"19949","3-(9H-Fluoren-9-yl)-3-azabicyclo[3.2.2]nonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(9H-Fluoren-9-yl)-3-azabicyclo[3.2.2]nonane",NA,"C1CC2CCC1CN(C2)C3C4=CC=CC=C4C5=CC=CC=C35","ITCRAIAFSNWMER-UHFFFAOYSA-N",259264,NA,"PDBC19949","88999","Present",NA,NA
+"19950","3-(Acetyloxy)-14,15-epoxybufa-20,22-dienolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC135688",NA,"CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)C","PYQLJWZNYPKLBI-UHFFFAOYSA-N",282303,NA,"PDBC19950","135688","Present",NA,NA
+"19951","3-(Acetyloxy)-2-(4-methoxyphenyl)-4(3H)-quinazolinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(4-Methoxyphenyl)-4-thioxo-quinazolin-3-yl] acetate",NA,"CC(=O)ON1C(=NC2=CC=CC=C2C1=S)C3=CC=C(C=C3)OC","UAZKMQGIPVQUOG-UHFFFAOYSA-N",389393,NA,"PDBC19951","685459","Present",NA,NA
+"19952","3-(Acetyloxy)-5-ethyl-6-oxo-6,11-dihydro-5H-indolo[3,2-c]quinolin-9-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Acetyloxy)-5-ethyl-6-oxo-6,11-dihydro-5H-indolo[3,2-c]quinolin-9-yl acetate",NA,"CCN1C2=C(C=CC(=C2)OC(=O)C)C3=C(C1=O)C4=C(N3)C=C(C=C4)OC(=O)C","CYUNOUQHNSMKSV-UHFFFAOYSA-N",376981,NA,"PDBC19952","658202","Present",NA,NA
+"19953","3-(Acetyloxy)-5-methyl-6-oxo-5,6-dihydro[1]benzofuro[3,2-c]quinolin-9-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Acetyloxy)-5-methyl-6-oxo-5,6-dihydro[1]benzofuro[3,2-c]quinolin-9-yl acetate",NA,"CC(=O)OC1=CC2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)OC(=O)C)C(=O)N2C","HJSHQPIYJRZKHO-UHFFFAOYSA-N",376986,NA,"PDBC19953","658207","Present",NA,NA
+"19954","3-(Acetyloxy)-6-(cyclohexylamino)-2,4-hexadienyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Acetyloxy)-6-(cyclohexylamino)-2,4-hexadienyl acetate",NA,"CC(=O)OCC=C(C=CCNC1CCCCC1)OC(=O)C","CEYZRBYMTQJZEX-RKQKHZQPSA-N",5467953,NA,"PDBC19954","660674","Present",NA,NA
+"19955","3-(Acetyloxy)-6-oxo-6,11-dihydrochromeno[4,3-b]indol-9-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Acetyloxy)-6-oxo-6,11-dihydrochromeno[4,3-b]indol-9-yl acetate",NA,"CC(=O)OC1=CC2=C(C=C1)C3=C(N2)C4=C(C=C(C=C4)OC(=O)C)OC3=O","VTGBWPLTASCOOP-UHFFFAOYSA-N",376979,NA,"PDBC19955","658200","Present",NA,NA
+"19956","3-(Acetyloxy)card-20(22)-enolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Acetyloxy)card-20(22)-enolide",NA,"CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CCC4C5=CC(=O)OC5)C)C","KMGWMSOWTCODGN-UHFFFAOYSA-N",277743,NA,"PDBC19956","126719","Present",NA,NA
+"19957","3-(Aminomethyl)-2,5,9-trimethyl-7H-furo(3,2-g)(1)benzopyran-7-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Furo[3,2-g][1]benzopyran-7-one, 3-(aminomethyl)-2,5,9...",NA,"CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN)C.Cl","HAWQZPVGCLHOBD-UHFFFAOYSA-N",148969,NA,"PDBC19957","291836","Present",NA,NA
+"19958","3-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;1,3-bis(4-chlorophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Aminomethyl)-3,5,5-trimethylcyclohexan-1-amine;1,3-bis(4-chlorophenyl)thiourea",NA,"CC1(CC(CC(C1)(C)CN)N)C.C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)Cl)Cl","VUDHNXXYZLBFAG-UHFFFAOYSA-N",5382807,NA,"PDBC19958","151995","Present",NA,NA
+"19959","3-(Aminomethyl)-N-butyl-7-chloroquinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCI-13239",NA,"CCCCNC1=C2C=CC(=CC2=NC=C1CN)Cl","LKEMVVCLTDWQJE-UHFFFAOYSA-N",224604,NA,"PDBC19959","13239","Present",NA,NA
+"19960","3-(Anilinocarbonyl)-1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Anilinocarbonyl)-1,1,4,4-tetramethyl-1,2,3,4-tetrahydro-2-naphthalenecarboxylic acid",NA,"CC1(C(C(C(C2=CC=CC=C21)(C)C)C(=O)O)C(=O)NC3=CC=CC=C3)C","HDLLAELPXJDNCH-UHFFFAOYSA-N",363411,NA,"PDBC19960","628315","Present",NA,NA
+"19961","3-(Anilinocarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Anilinocarbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid",NA,"C1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3","JUSVTXVHDCYHIJ-UHFFFAOYSA-N",245790,NA,"PDBC19961","58025","Present",NA,NA
+"19962","3-(Anilinomethyl)-5-[8-[4-(anilinomethyl)-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Anilinomethyl)-5-[8-[4-(anilinomethyl)-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione",NA,"C1=CC=C(C=C1)NCN2C(=S)OC(=N2)CCCCCCCCC3=NN(C(=S)O3)CNC4=CC=CC=C4","WXHIZQAGNYLKPY-UHFFFAOYSA-N",394058,NA,"PDBC19962","697176","Present",NA,NA
+"19963","3-(Benzenesulfonyl)-2-iodopropanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Iodo-3-(phenylsulfonyl)propanenitrile",NA,"C1=CC=C(C=C1)S(=O)(=O)CC(C#N)I","HBXWJJCIVNSECK-UHFFFAOYSA-N",220946,NA,"PDBC19963","4512","Present",NA,NA
+"19964","3-(Benzenesulfonyl)-7-(2-chlorophenyl)-2-methoxy-5,6-dihydropyrazolo[3,4-h]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-chlorophenyl)-2-methoxy-3-(phenylsulfonyl)-6,7-dihy...",NA,"COC1=C(C=C2CCC3=C(C2=N1)C=NN3C4=CC=CC=C4Cl)S(=O)(=O)C5=CC=CC=C5","XOWRTHAIGRHRSH-UHFFFAOYSA-N",122190675,NA,"PDBC19964","771717","Present",NA,NA
+"19965","3-(Benzenesulfonyl)prop-1-en-2-yl-triphenylphosphanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623990",NA,"C=C(CS(=O)(=O)C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[I-]","LIJNNLZDIIPTCP-UHFFFAOYSA-M",361158,NA,"PDBC19965","623990","Present",NA,NA
+"19966","3-(Benzenesulfonyl-methyl-amino)-propionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL573340",NA,"CN(CCC(=O)O)S(=O)(=O)C1=CC=CC=C1","LFRXLESUXXFAIP-UHFFFAOYSA-N",268539,NA,"PDBC19966","108802","Present",NA,NA
+"19967","3-(Benzenesulfonylmethyl)-8,8-dimethyl-2-(phenylsulfanylmethyl)spiro[4.5]decane-6,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzenesulfonylmethyl)-8,8-dimethyl-2-(phenylsulfanylmethyl)spiro[4.5]decane-6,10-dione",NA,"CC1(CC(=O)C2(CC(C(C2)CS(=O)(=O)C3=CC=CC=C3)CSC4=CC=CC=C4)C(=O)C1)C","XUIZYCMVGWPLCI-UHFFFAOYSA-N",390162,NA,"PDBC19967","687307","Present",NA,NA
+"19968","3-(Benzo-2,3-thiadiazol-4-ylamino)-7-chloro-8-methyl-1,1-d ioxo-4H-1,5,2-benzodithiazepin-4-ylideneacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzo-2,1,3-thiadiazol-4-ylamino)-7-chloro-8-methyl-1...",NA,"CC1=CC2=C(C=C1Cl)SC(=CC(=O)O)C(=NS2(=O)=O)NC3=CC=CC4=NSN=C43","UDOGEBFYMJXIIE-NTUHNPAUSA-N",24203096,NA,"PDBC19968","726720","Present",NA,NA
+"19969","3-(Benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, 2HCl salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(benzo[d]oxazol-2-yl)-5-(1-(piperidin-4-yl)-1H-pyrazol...",NA,"C1CNCCC1N2C=C(C=N2)C3=CC(=C(N=C3)N)C4=NC5=CC=CC=C5O4.Cl","OABNRVVPPIKZHM-UHFFFAOYSA-N",49798416,NA,"PDBC19969","748337","Present",NA,NA
+"19970","3-(Benzothiazol-6-ylimino)-7-chloro-2,1-dioxo-4H-1,5,2-benzodithiazepin-4-ylideneacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzothiazol-6-ylamino)-7-chloro-8-methyl-1,1,-dioxo-...",NA,"CC1=CC2=C(C=C1Cl)SC(=CC(=O)O)C(=NS2(=O)=O)NC3=CC4=C(C=C3)N=CS4","HLUDVTHWMJHLGU-VIZOYTHASA-N",24203095,NA,"PDBC19970","726718","Present",NA,NA
+"19971","3-(Benzotriazol-1-ylmethyl)-2-methylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzotriazol-1-ylmethyl)-2-methylchromen-4-one",NA,"CC1=C(C(=O)C2=CC=CC=C2O1)CN3C4=CC=CC=C4N=N3","FIEZIBHGUNHLMX-UHFFFAOYSA-N",358808,NA,"PDBC19971","618877","Present",NA,NA
+"19972","3-(Benzyl-2-(1,3-dithian-2-yl)anilino)-4-isopropoxy-3-cyclobutene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzyl-2-(1,3-dithian-2-yl)anilino)-4-isopropoxy-3-cyclobutene-1,2-dione",NA,"CC(C)OC1=C(C(=O)C1=O)N(CC2=CC=CC=C2)C3=CC=CC=C3C4SCCCS4","WSONNFAMKXLWLZ-UHFFFAOYSA-N",389274,NA,"PDBC19972","685027","Present",NA,NA
+"19973","3-(Benzylamino)-1-naphthalen-2-ylpropan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzylamino)-1-naphthalen-2-ylpropan-1-ol;hydrochloride",NA,"C1=CC=C(C=C1)CNCCC(C2=CC3=CC=CC=C3C=C2)O.Cl","VKJMZICSFFKRGW-UHFFFAOYSA-N",54603596,NA,"PDBC19973","23418","Present",NA,NA
+"19974","3-(Benzylamino)-4-(2-fluorobenzoyl)cyclobut-3-ene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzylamino)-4-(2-fluorobenzoyl)cyclobut-3-ene-1,2-dione",NA,"C1=CC=C(C=C1)CNC2=C(C(=O)C2=O)C(=O)C3=CC=CC=C3F","QTKUBMCOFOTHBO-UHFFFAOYSA-N",389270,NA,"PDBC19974","685023","Present",NA,NA
+"19975","3-(Benzylamino)-4-(2-methoxybenzoyl)cyclobut-3-ene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzylamino)-4-(2-methoxybenzoyl)cyclobut-3-ene-1,2-dione",NA,"COC1=CC=CC=C1C(=O)C2=C(C(=O)C2=O)NCC3=CC=CC=C3","INLBMJFEKAXFFB-UHFFFAOYSA-N",389269,NA,"PDBC19975","685022","Present",NA,NA
+"19976","3-(Benzyloxy)-2-((benzyloxy)methyl)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzyloxy)-2-((benzyloxy)methyl)-3,3a,5,9b-tetrahydro-2H-furo[3,2-c]isochromene",NA,"C1C2=CC=CC=C2C3C(O1)C(C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5","DDSMNKYRACJCFU-UHFFFAOYSA-N",362353,NA,"PDBC19976","626098","Present",NA,NA
+"19977","3-(Benzyloxy)-8,9-dimethoxybenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzyloxy)-8,9-dimethoxybenzo[c]phenanthridine",NA,"COC1=C(C=C2C3=C(C4=C(C=CC(=C4)OCC5=CC=CC=C5)C=C3)N=CC2=C1)OC","HVWZGTCNNAXXNY-UHFFFAOYSA-N",371248,NA,"PDBC19977","645307","Present",NA,NA
+"19978","3-(Benzyloxy)-N-(2-(diethylamino)ethyl)-2-(hydroxy(oxido)amino)-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-[2-(diethylamino)ethyl]-4-methyl-2-nitro- 3...",NA,"CCN(CC)CCNC(=O)C1=C(C(=C(C=C1)C)OCC2=CC=CC=C2)[N+](=O)[O-]","DJKSAAIJNPBGNG-UHFFFAOYSA-N",290831,NA,"PDBC19978","155246","Present",NA,NA
+"19979","3-(Benzylsulfonyl)-2-oxo-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzylsulfonyl)-2-oxo-3-phenylpropanamide",NA,"C1=CC=C(C=C1)CS(=O)(=O)C(C2=CC=CC=C2)C(=O)C(=O)N","LCKONQIIZYWIMG-UHFFFAOYSA-N",376681,NA,"PDBC19979","657725","Present",NA,NA
+"19980","3-(Benzylthio)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-(Benzylthio)propionic acid",NA,"C1=CC=C(C=C1)CSCCC(=O)O","NDBNSZKHDMXOJE-UHFFFAOYSA-N",221428,NA,"PDBC19980","5996","Present",NA,NA
+"19981","3-(Bis((4-methylphenyl)sulfonyl)amino)-2-quinoxalinyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Bis((4-methylphenyl)sulfonyl)amino)-2-quinoxalinyl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC3=CC=CC=C3N=C2OS(=O)(=O)C4=CC=C(C=C4)C)S(=O)(=O)C5=CC=C(C=C5)C","FYNQLTHCAGGXNQ-UHFFFAOYSA-N",381310,NA,"PDBC19981","667748","Present",NA,NA
+"19982","3-(Bis(2,5-dichloro-3-thienyl)methyl)-2,5-dichlorothiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Bis(2,5-dichloro-3-thienyl)methyl)-2,5-dichlorothiophene",NA,"C1=C(SC(=C1C(C2=C(SC(=C2)Cl)Cl)C3=C(SC(=C3)Cl)Cl)Cl)Cl","UOPAGGQQXAUQQS-UHFFFAOYSA-N",392983,NA,"PDBC19982","694225","Present",NA,NA
+"19983","3-(Bromomethyl)-2,3,6,7-tetrachloro-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Bromomethyl)-2,3,6,7-tetrachloro-7-methyloct-1-ene",NA,"CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Cl)Cl","MCVCWSYWDGWKFL-UHFFFAOYSA-N",382928,NA,"PDBC19983","670805","Present",NA,NA
+"19984","3-(Bromomethyl)-2,3,6-trichloro-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Bromomethyl)-2,3,6-trichloro-7-methyloct-1-ene",NA,"CC(C)C(CCC(CBr)(C(=C)Cl)Cl)Cl","OLTBFQIGWLAESB-UHFFFAOYSA-N",382927,NA,"PDBC19984","670804","Present",NA,NA
+"19985","3-(Bromomethyl)-2-quinoxalinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(1H)-Quinoxalinone, 3-(bromomethyl)-",NA,"C1=CC=C2C(=C1)NC(=O)C(=N2)CBr","SOTAKCFOTFCVSS-UHFFFAOYSA-N",286254,NA,"PDBC19985","144168","Present",NA,NA
+"19986","3-(Bromomethyl)-7-(trifluoromethyl)-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Quinoxalin-2-one, 3-(bromomethyl)-7-(trifluoromethyl)-",NA,"C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=N2)CBr","INEQYXAPHQOALZ-UHFFFAOYSA-N",393632,NA,"PDBC19986","695840","Present",NA,NA
+"19987","3-(Bromomethyl)-7-nitro-3-(2-oxopropyl)-1,4-dihydroquinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Bromomethyl)-7-nitro-3-(2-oxopropyl)-1,4-dihydroquinoxalin-2-one",NA,"CC(=O)CC1(C(=O)NC2=C(N1)C=CC(=C2)[N+](=O)[O-])CBr","PQTRBKMIKGNFDH-UHFFFAOYSA-N",3514224,NA,"PDBC19987","701694","Present",NA,NA
+"19988","3-(Carboxymethyl)-5,6-dimethyl-1H-indazole-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Carboxymethyl)-5,6-dimethyl-1H-indazole-7-carboxylic acid",NA,"CC1=CC2=C(NN=C2C(=C1C)C(=O)O)CC(=O)O","YHZFYJOHOYKWBU-UHFFFAOYSA-N",367591,NA,"PDBC19988","637423","Present",NA,NA
+"19989","3-(Carboxymethylamino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CL5",NA,"C(CNCC(=O)O)C(=O)O","GAUBNQMYYJLWNF-UHFFFAOYSA-N",281622,NA,"PDBC19989","134478","Present",NA,NA
+"19990","3-(Chloromethyl)-1-methylsulfonyl-6-nitro-indoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Chloromethyl)-1-methylsulfonyl-6-nitro-indoline",NA,"CS(=O)(=O)N1CC(C2=C1C=C(C=C2)[N+](=O)[O-])CCl","KQFWWSNHFKWFQO-UHFFFAOYSA-N",387910,NA,"PDBC19990","682142","Present",NA,NA
+"19991","3-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,3-dihydro-1-benzofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Chloromethyl)-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-2,3-dihydro-1-benzofuran",NA,"COC1=C(C=C(C=C1)C2C(C3=CC(=C(C=C3O2)OC)OC)CCl)OC","GGIVBKRXKGZZFT-UHFFFAOYSA-N",375590,NA,"PDBC19991","655412","Present",NA,NA
+"19992","3-(Chloromethyl)-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Chloromethyl)-4-oxo-3,4-dihydroimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxamide",NA,"C1=NC(=C2N1C(=O)N(N=N2)CCl)C(=O)N","JPRKRRQKCOHYIB-UHFFFAOYSA-N",390993,NA,"PDBC19992","689301","Present",NA,NA
+"19993","3-(Chloromethyl)-6-hydroxy-1-((5,7-trimethoxyindol-2-yl)carbonyl)indoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Chloromethyl)-6-hydroxy-1-((5,6,7-trimethoxyindol-2-y...",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)O)CCl)OC)OC","KFMLAUJMEDHHPN-UHFFFAOYSA-N",386019,NA,"PDBC19993","677588","Present",NA,NA
+"19994","3-(Chloromethyl)-N,N-dimethyl-1-((5,6,7-trimethoxy-1H-indol-2-yl)carbonyl)-6-indolinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, 3-(chloromethyl)-2,3-dihydro-6-(dimethylamino...",NA,"CN(C)C1=CC2=C(C=C1)C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl","JCTJPWQWAMFGAX-UHFFFAOYSA-N",388045,NA,"PDBC19994","682506","Present",NA,NA
+"19995","3-(Cyclohexylideneamino)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Cyclohexylideneamino)-1-propanol",NA,"C1CCC(=NCCCO)CC1","IKMCSMDJOQVPFU-UHFFFAOYSA-N",276943,NA,"PDBC19995","128911","Present",NA,NA
+"19996","3-(Cyclopropylmethyl)-4a-hydroxy-9-(1-phenyltetrazol-5-yl)oxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Cyclopropylmethyl)-4a-hydroxy-9-(1-phenyltetrazol-5-yl)oxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one",NA,"C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)OC7=NN=NN7C8=CC=CC=C8)O5)O","SSAIAGQCSVOGMK-UHFFFAOYSA-N",398248,NA,"PDBC19996","707847","Present",NA,NA
+"19997","3-(Cyclopropylmethyl)-9-methoxyspiro[1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,2'-1,3-dioxolane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Cyclopropylmethyl)-9-methoxyspiro[1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,2'-1,3-dioxolane]",NA,"COC1=C2C3=C(CC4C5C3(CCN4CC6CC6)C(O2)C7(CC5)OCCO7)C=C1","ZKNHXBONWOGIMA-UHFFFAOYSA-N",292216,NA,"PDBC19997","157874","Present",NA,NA
+"19998","3-(Diallylaminomethyl)-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(diallylaminomethyl)-indole",NA,"C=CCN(CC=C)CC1=CNC2=CC=CC=C21","QCAGDBAHYRSLLN-UHFFFAOYSA-N",714712,NA,"PDBC19998","730608","Present",NA,NA
+"19999","3-(Diaminomethylideneamino)-3-phenylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Amino(imino)methyl)-3-phenyl--alanine",NA,"C1=CC=C(C=C1)C(CC(=O)O)N=C(N)N","GWIWNJDXMZQSHM-UHFFFAOYSA-N",240906,NA,"PDBC19999","47799","Present",NA,NA
+"20000","3-(Dianilinomethylidene)-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dianilinomethylidene)-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C(NC1=CC=CC=C1)NC2=CC=CC=C2","ASMLSTFEFKCSDT-UHFFFAOYSA-N",3830570,NA,"PDBC20000","622581","Present",NA,NA
+"20001","3-(Dibenzylamino)-4-phenylazetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dibenzylamino)-4-phenyl-2-azetidinone",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3C(NC3=O)C4=CC=CC=C4","NCBPYFZKSGGZGP-UHFFFAOYSA-N",496457,NA,"PDBC20001","689617","Present",NA,NA
+"20002","3-(Diethylamino)-1-phenylpropan-1-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC322068",NA,"CCN(CC)CCC(=O)C1=CC=CC=C1.Br","YQWKYYIGYQIBLY-UHFFFAOYSA-N",24199322,NA,"PDBC20002","322068","Present",NA,NA
+"20003","3-(Diethylamino)-4-(2-phenylethynyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Diethylamino)-4-(2-phenylethynyl)azetidin-2-one",NA,"CCN(CC)C1C(NC1=O)C#CC2=CC=CC=C2","CNJGEBDMMZACBG-UHFFFAOYSA-N",496456,NA,"PDBC20003","689616","Present",NA,NA
+"20004","3-(Diethylamino)-4-ethynyl-2-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Diethylamino)-4-ethynyl-2-azetidinone",NA,"CCN(CC)C1C(NC1=O)C#C","SSRZWGRQVFFNEB-UHFFFAOYSA-N",496455,NA,"PDBC20004","689615","Present",NA,NA
+"20005","3-(Diethylamino)-7-[(2Z)-2-(2-oxonaphthalen-1(2H)-ylidene)hydrazinyl]-5-phenylphenazin-5-ium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenazinium (8CI), 3-(diethylamino)-7-[(2-hydroxy-1-naph...",NA,"CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=C(C=CC5=CC=CC=C54)O)N=C2C=C1)C6=CC=CC=C6.[Cl-]","KLHTUABFONQJOH-UHFFFAOYSA-N",135421850,NA,"PDBC20005","16222","Present",NA,NA
+"20006","3-(Diethylamino)-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Diethylamino)-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide",NA,"CCN(CC)CCC(=O)NC1=NC2=C(C=C1)SC3=CC=CC=C3C2=O","NQOBIPVNIBYOLV-UHFFFAOYSA-N",383033,NA,"PDBC20006","671014","Present",NA,NA
+"20007","3-(Diethylamino)-N-(4-methyl-9H-xanthen-9-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Diethylamino)-N-(4-methyl-9H-xanthen-9-yl)propanamide",NA,"CCN(CC)CCC(=O)NC1C2=CC=CC=C2OC3=C(C=CC=C13)C","AZBIGTAPZFFJAP-UHFFFAOYSA-N",366827,NA,"PDBC20007","635599","Present",NA,NA
+"20008","3-(Diethylamino)-N-(6,11-dihydroxy-5,12-dioxotetracen-1-yl)propanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Diethylamino)-N-(6,11-dihydroxy-5,12-dioxotetracen-1-yl)propanamide;hydrochloride",NA,"CCN(CC)CCC(=O)NC1=CC=CC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O.Cl","WWVOQICGZNTEOR-UHFFFAOYSA-N",54600915,NA,"PDBC20008","150837","Present",NA,NA
+"20009","3-(Diethylamino)propyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Diethylamino)propyl (E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate",NA,"CCN(CC)CCCOC(=O)C=CC1=C(NC(=O)NC1=O)C","PKAHNGYBKCLKLY-BQYQJAHWSA-N",6161495,NA,"PDBC20009","184711","Present",NA,NA
+"20010","3-(Dimethoxymethyl)-2-methylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethoxymethyl)-2-methylpyridine",NA,"CC1=C(C=CC=N1)C(OC)OC","DHTHMXWOLMLBRX-UHFFFAOYSA-N",371008,NA,"PDBC20010","644871","Present",NA,NA
+"20011","3-(Dimethyl(phenylthio)germyl)propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethyl(phenylthio)germyl)propanenitrile",NA,"C[Ge](C)(CCC#N)SC1=CC=CC=C1","SUILLRHGWSOZRM-UHFFFAOYSA-N",16683240,NA,"PDBC20011","650711","Present",NA,NA
+"20012","3-(Dimethylamino)-1-(4-methoxyphenyl)-2-phenylpropan-1-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-1-(4-methoxyphenyl)-2-phenylpropan-1-one;hydrobromide",NA,"CN(C)CC(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)OC.Br","IPZXKCDJABZINC-UHFFFAOYSA-N",54598857,NA,"PDBC20012","33556","Present",NA,NA
+"20013","3-(Dimethylamino)-2,2-bis((dimethylamino)methyl)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-2,2-bis((dimethylamino)methyl)-1-propanol",NA,"CN(C)CC(CN(C)C)(CN(C)C)CO","DHAJNMVHAHUQDU-UHFFFAOYSA-N",377576,NA,"PDBC20013","659145","Present",NA,NA
+"20014","3-(Dimethylamino)-2-methyl-1-phenylpropan-1-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC327727",NA,"CC(CN(C)C)C(=O)C1=CC=CC=C1.Br","AJPOWGSHRPQGIS-UHFFFAOYSA-N",24199433,NA,"PDBC20014","327727","Present",NA,NA
+"20015","3-(Dimethylamino)-2-phenyl-1,2-dihydroquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-2-phenyl-1,2-dihydroquinazolin-4-one",NA,"CN(C)N1C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3","MWEPSTZBCBSHQK-UHFFFAOYSA-N",355542,NA,"PDBC20015","609405","Present",NA,NA
+"20016","3-(Dimethylamino)-4-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]cyclobut-3-ene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-4-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]cyclobut-3-ene-1,2-dione",NA,"CN(C)C1=C(C(=O)C1=O)C2CC(C(O2)CO)O","LMWTXQXIXVGRBA-UHFFFAOYSA-N",393544,NA,"PDBC20016","695606","Present",NA,NA
+"20017","3-(Dimethylamino)-5,5-diphenyl-1,3-thiazinane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-5,5-diphenyl-1,3-thiazinane-2,4-dione",NA,"CN(C)N1C(=O)C(CSC1=O)(C2=CC=CC=C2)C3=CC=CC=C3","YDKQDKUOKBZKHR-UHFFFAOYSA-N",342856,NA,"PDBC20017","380744","Present",NA,NA
+"20018","3-(Dimethylamino)-5,7-dimethyl-[1,2]selenazolo[3,4-d]pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-5,7-dimethyl[1,2]selenazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione",NA,"CN1C2=N[Se]C(=C2C(=O)N(C1=O)C)N(C)C","HIBSAXFDEVPFPM-UHFFFAOYSA-N",370133,NA,"PDBC20018","642723","Present",NA,NA
+"20019","3-(Dimethylamino)-5-{methyl[(methylthio)carbonothioyl]amino}-1,2,4-dithiazol-1-ium fluoridosulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-5-{methyl[(methylthio)carbonothioyl]amino}-1,2,4-dithiazol-1-ium fluoridosulfate",NA,"CN(C1=NC(=[N+](C)C)SS1)C(=S)SC.[O-]S(=O)(=O)F","AXOGLWDTTHUGSP-UHFFFAOYSA-M",360518,NA,"PDBC20019","622654","Present",NA,NA
+"20020","3-(Dimethylamino)-6,7-dimethyl-1,1-dioxo-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-6,7-dimethyl-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide",NA,"CC1=C(OC2=C1S(=O)(=O)C(=C(N2)N(C)C)C#N)C","GETPMQFUCJNYFN-UHFFFAOYSA-N",392833,NA,"PDBC20020","693811","Present",NA,NA
+"20021","3-(Dimethylamino)-6h-benzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-6h-benzo[c]chromen-6-one",NA,"CN(C)C1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2","BEMAPOPZFOZVDQ-UHFFFAOYSA-N",265849,NA,"PDBC20021","102371","Present",NA,NA
+"20022","3-(Dimethylamino)-7-(methylamino)phenothiazin-5-ium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azure B bromide",NA,"CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Br-]","YZBBIPYXARUWAV-UHFFFAOYSA-N",13797451,NA,"PDBC20022","16166","Present",NA,NA
+"20023","3-(Dimethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-N-(4-methyl-9H-thioxanthen-9-yl)propanamide",NA,"CC1=C2C(=CC=C1)C(C3=CC=CC=C3S2)NC(=O)CCN(C)C","ALIQVRVVXGOJJS-UHFFFAOYSA-N",366832,NA,"PDBC20023","635604","Present",NA,NA
+"20024","3-(Dimethylamino)-N-(indolizino[2,3-b]quinoxalin-12-ylmethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-N-(indolizino[2,3-b]quinoxalin-12-ylmethyl)propanamide",NA,"CN(C)CCC(=O)NCC1=C2C=CC=CN2C3=NC4=CC=CC=C4N=C13","LDCJDHRRYDWENQ-UHFFFAOYSA-N",24204700,NA,"PDBC20024","732504","Present",NA,NA
+"20025","3-(Dimethylamino)-N-[4-[4-[3-[[3-[1-[4-[3-(dimethylamino)propanoylamino]phenyl]triazol-4-yl]phenyl]carbamothioylamino]phenyl]triazol-1-yl]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-N-[4-[4-[3-[[3-[1-[4-[3-(dimethylamino)propanoylamino]phenyl]triazol-4-yl]phenyl]carbamothioylamino]phenyl]triazol-1-yl]phenyl]propanamide",NA,"CN(C)CCC(=O)NC1=CC=C(C=C1)N2C=C(N=N2)C3=CC(=CC=C3)NC(=S)NC4=CC=CC(=C4)C5=CN(N=N5)C6=CC=C(C=C6)NC(=O)CCN(C)C","KFVHUTKPTJKAIW-UHFFFAOYSA-N",60148205,NA,"PDBC20025","753941","Present",NA,NA
+"20026","3-(Dimethylamino)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)-2H-chromen-2-one",NA,"CN(C)C1=CC2=CC=CC=C2OC1=O","VCQPHZSXAHONHF-UHFFFAOYSA-N",367928,NA,"PDBC20026","638127","Present",NA,NA
+"20027","3-(Dimethylamino)propiophenone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(dimethylamino)propiophenone hydrochloride",NA,"CN(C)CCC(=O)C1=CC=CC=C1.Cl","DKNDBIIKSJWQFL-UHFFFAOYSA-N",92844,NA,"PDBC20027","89","Present",NA,NA
+"20028","3-(Dimethylamino)propyl (4-hydroxytetrahydro-2H-thiopyran-4-yl)(phenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)propyl (4-hydroxytetrahydro-2H-thiopyran-4-yl)(phenyl)acetate",NA,"CN(C)CCCOC(=O)C(C1=CC=CC=C1)C2(CCSCC2)O","RYKFIZFIXZWKPO-UHFFFAOYSA-N",380251,NA,"PDBC20028","665730","Present",NA,NA
+"20029","3-(Dimethylamino)propyl 2-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dimethylamino)propyl 2-(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-3-phenylpropanoate",NA,"CC1(CC2=C(O1)C(=CC=C2)C(CC3=CC=CC=C3)(C(=O)OCCCN(C)C)O)C","ZFYALDDPNSZUCP-UHFFFAOYSA-N",380215,NA,"PDBC20029","665690","Present",NA,NA
+"20030","3-(Dimethylamino)propyl benzylcyclopropylglycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58781",NA,"CN(C)CCCOC(=O)C(CC1=CC=CC=C1)(C2CC2)O","RNEJSIWJEVCXHX-UHFFFAOYSA-N",59490,NA,"PDBC20030","665715","Present",NA,NA
+"20031","3-(Dimethylhydrazono)-5-methyl-1,1,2,2-cyclopentanetetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentane-1,1-2,2-tetracarbonitrile, 3-methyl- 5-(dim...",NA,"CC1CC(=NN(C)C)C(C1(C#N)C#N)(C#N)C#N","ARQPVZOOZHAUMO-LICLKQGHSA-N",9556242,NA,"PDBC20031","681861","Present",NA,NA
+"20032","3-(Dimethylhydrazono)-5-phenyl-1,1,2,2-cyclopentanetetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL325606",NA,"CN(C)N=C1CC(C(C1(C#N)C#N)(C#N)C#N)C2=CC=CC=C2","CXUJDDXXXCSOIH-PXLXIMEGSA-N",9571539,NA,"PDBC20032","681858","Present",NA,NA
+"20033","3-(Dipentylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Dipentylamino)-1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol",NA,"CCCCCN(CCCCC)CC(C)(C)C(C1=CC=C(C2=CC=CC=C21)OC)O","UKDUPHWVSJDRHH-UHFFFAOYSA-N",223647,NA,"PDBC20033","11420","Present",NA,NA
+"20034","3-(Diphenoxyphosphinyloxy)-4H-1,4-benzothiazine-4-carboxylic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3-[(diphenoxyphosphoryl)oxy]-4h-1,4-benzothiazine-4-carboxylate",NA,"CC(C)(C)OC(=O)N1C2=CC=CC=C2SC=C1OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4","MOHCIUXPTIHHPL-UHFFFAOYSA-N",402898,NA,"PDBC20034","717215","Present",NA,NA
+"20035","3-(Diphenoxyphosphinyloxy)-4H-pyrido[3,2-b][1,4]oxazine-4-carboxylic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3-[(diphenoxyphosphoryl)oxy]-4h-pyrido[3,2-b][1,4]oxazine-4-carboxylate",NA,"CC(C)(C)OC(=O)N1C(=COC2=C1N=CC=C2)OP(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4","WOROZGQLALOKOB-UHFFFAOYSA-N",402897,NA,"PDBC20035","717214","Present",NA,NA
+"20036","3-(Dipyridin-2-ylmethylideneamino)-1,1-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Dipyridyl-N,N-dimethylsemicarbazone",NA,"CN(C)C(=S)NN=C(C1=CC=CC=N1)C2=CC=CC=N2","XOBIGRNRXCAMJQ-UHFFFAOYSA-N",10334137,NA,"PDBC20036","744381","Present",NA,NA
+"20037","3-(E)-1-[3-(2-Fluorophenyl)imidazo[1,5-a]pyridin-1-yl]methylidene-2-indolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(E)-1-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-1-yl]me...",NA,"C1=CC=C2C(=C1)C(=CC3=C4C=CC=CN4C(=N3)C5=CC=CC=C5F)C(=O)N2","NPJJOOOJIBYEHP-DTQAZKPQSA-N",53248929,NA,"PDBC20037","751896","Present",NA,NA
+"20038","3-(E)-Ethoxycarbonylethenyl-4-(thien-2'-yl)-1,2-dihydronapht halene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(E)-Ethoxycarbonylethenyl-4-(thien-2'-yl)-1,2-dihydron...",NA,"CCOC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CC=CS3","URTMJUAMFCFWJD-VAWYXSNFSA-N",24205449,NA,"PDBC20038","735780","Present",NA,NA
+"20039","3-(Ethoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Ethoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one",NA,"CCOCN1COCN(C1=O)C","SJTZWHUFNGNJSO-UHFFFAOYSA-N",368602,NA,"PDBC20039","639710","Present",NA,NA
+"20040","3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidine-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Furan-2-carbonyl)-2-thioxo-imidazolidine-1-carbaldehyde",NA,"C1CN(C(=S)N1C=O)C(=O)C2=CC=CO2","ALSXZBQWUPXOFR-UHFFFAOYSA-N",396752,NA,"PDBC20040","703462","Present",NA,NA
+"20041","3-(Furan-2-yl)-1-(thiophen-3-yl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Furan-2-yl)-1-(thiophen-3-yl)-propenone",NA,"C1=COC(=C1)C(=O)C=CC2=CSC=C2","LIFFCYCWJGMLAV-ONEGZZNKSA-N",5916979,NA,"PDBC20041","700204","Present",NA,NA
+"20042","3-(Furo[3,2-c]quinolin-4-ylamino)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Furo[3,2-c]quinolin-4-ylamino)phenol",NA,"C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC(=CC=C4)O","OEDYUOCSIFQNNH-UHFFFAOYSA-N",24203915,NA,"PDBC20042","730145","Present",NA,NA
+"20043","3-(Hydroxy(oxido)amino)-2-(4-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)imidazo[1,2-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxy(oxido)amino)-2-(4-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)imidazo[1,2-a]pyridine",NA,"CC1=NC(=CN1C2=C(N3C=CC=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","GHZIDXUVPILBFT-UHFFFAOYSA-N",325418,NA,"PDBC20043","294153","Present",NA,NA
+"20044","3-(Hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxo-N-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)propanamide",NA,"C1=CC2=NC=C(N=C2C=C1[N+](=O)[O-])C(C(=O)C(=O)NC3=NC(=S)NN3)[N+](=O)[O-]","MECXZAIFMUQNSU-UHFFFAOYSA-N",3004320,NA,"PDBC20044","644784","Present",NA,NA
+"20045","3-(Hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(2-(hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)-2-(methylhydrazono)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(Methylhydrazinylidene)-3-nitro-3-(7-nitroquinoxalin-2-yl)-N-[2-nitro-4-(trifluoromethyl)phenyl]propanamide",NA,"CNN=C(C(C1=CN=C2C=CC(=CC2=N1)[N+](=O)[O-])[N+](=O)[O-])C(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]","KKNHFQQLPYQEGG-YUMHPJSZSA-N",9571295,NA,"PDBC20045","641443","Present",NA,NA
+"20046","3-(Hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(2-methoxyphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanamide",NA,"COC1=CC=CC=C1NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","RUTCBXJQCJIAAL-UHFFFAOYSA-N",370957,NA,"PDBC20046","644762","Present",NA,NA
+"20047","3-(Hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-N-(2-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","OHHXULRZCAOPGO-UHFFFAOYSA-N",370930,NA,"PDBC20047","644735","Present",NA,NA
+"20048","3-(Hydroxy(oxido)amino)-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxy(oxido)amino)-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,"CS(=O)(=O)NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-]","WGUWWIMJVZFJBO-UHFFFAOYSA-N",367387,NA,"PDBC20048","637076","Present",NA,NA
+"20049","3-(Hydroxy(oxido)amino)-N-(2-methylphenyl)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxy(oxido)amino)-N-(2-methylphenyl)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]","ATJDQFODUOZFLO-UHFFFAOYSA-N",369442,NA,"PDBC20049","641212","Present",NA,NA
+"20050","3-(Hydroxy(oxido)amino)-N-(6-(hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-N-(6-nitro-1,3-benzothiazol-2-yl)-2-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)propanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","UNVGZMGBVIZMOB-UHFFFAOYSA-N",369447,NA,"PDBC20050","641217","Present",NA,NA
+"20051","3-(Hydroxy(oxido)amino)benzaldehyde (1,1-dioxido-3-thienyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxy(oxido)amino)benzaldehyde (1,1-dioxido-3-thienyl)hydrazone",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC2=CS(=O)(=O)C=C2","DJZCHZJSHDBQGI-KPKJPENVSA-N",5351921,NA,"PDBC20051","91750","Present",NA,NA
+"20052","3-(Hydroxyamino)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxyamino)alanine",NA,"C(C(C(=O)O)N)NO","VIFOGXGRPDRQHS-UHFFFAOYSA-N",292936,NA,"PDBC20052","159165","Present",NA,NA
+"20053","3-(Hydroxyimino)-1-phenyl-3-(3-phenylisoxazol-5-yl)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxyimino)-1-phenyl-3-(3-phenylisoxazol-5-yl)propan-1-one",NA,"C1=CC=C(C=C1)C2=NOC(=C2)C(=NO)CC(=O)C3=CC=CC=C3","ZANIPGFOHCFXRB-MNDPQUGUSA-N",135436342,NA,"PDBC20053","720433","Present",NA,NA
+"20054","3-(Hydroxyimino)oxolane-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC10372",NA,"C1COC(=O)C1=NO","ZIUSAIUIKKGDOW-HYXAFXHYSA-N",6915945,NA,"PDBC20054","10372","Present",NA,NA
+"20055","3-(Hydroxymethyl)-2-pyridinecarbaldehyde O-acetyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxymethyl)-2-pyridinecarbaldehyde O-acetyloxime",NA,"CC(=O)ON=CC1=C(C=CC=N1)CO","PYHQSPDGJVOIIP-VZUCSPMQSA-N",9571335,NA,"PDBC20055","644883","Present",NA,NA
+"20056","3-(Hydroxymethyl)-3-methyl-1-oxaspiro[3.5]nonan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxymethyl)-3-methyl-1-oxaspiro[3.5]nonan-2-one",NA,"CC1(C(=O)OC12CCCCC2)CO","GZOSMJPNRICNJC-UHFFFAOYSA-N",372704,NA,"PDBC20056","648264","Present",NA,NA
+"20057","3-(Hydroxymethyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxymethyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-4-yl acetate",NA,"CC(=O)OC1CCN2C1=C(N=N2)CO","RMLJQRMKNCLPOD-UHFFFAOYSA-N",362187,NA,"PDBC20057","625778","Present",NA,NA
+"20058","3-(Hydroxymethyl)-5,6-dihydro-4H-pyrrolo[1,2-c][1,2,3]triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-ylmethanol",NA,"C1CC2=C(N=NN2C1)CO","JHVHBOSLWJNDIQ-UHFFFAOYSA-N",360881,NA,"PDBC20058","623587","Present",NA,NA
+"20059","3-(Hydroxymethyl)-5-(6-(methylthio)-9H-purin-9-yl)-1,4-dioxane-2,6-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Dioxane-2-methanol, 3,5-dihydroxy-6-[6-(methylthio)-9H...",NA,"CSC1=NC=NC2=C1N=CN2C3C(OC(C(O3)CO)O)O","PWMJKSRDVJZIRU-UHFFFAOYSA-N",269951,NA,"PDBC20059","111702","Present",NA,NA
+"20060","3-(Hydroxymethyl)-5-(hydroxymethylsulfanyl)-1,3,4-thiadiazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxymethyl)-5-[(hydroxymethyl)sulfanyl]-1,3,4-thiadiazole-2(3h)-thione",NA,"C(N1C(=S)SC(=N1)SCO)O","VSARGXBKGOHAQT-UHFFFAOYSA-N",401642,NA,"PDBC20060","715344","Present",NA,NA
+"20061","3-(Iodomethyl)-1-(methylsulfonyl)-6-indolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Iodomethyl)-1-(methylsulfonyl)-6-indolinol",NA,"CS(=O)(=O)N1CC(C2=C1C=C(C=C2)O)CI","XIJLTHVJWINIFB-UHFFFAOYSA-N",384838,NA,"PDBC20061","675356","Present",NA,NA
+"20062","3-(Isonicotinoylhydrazono)-N,N-diisopropylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Isonicotinoylhydrazono)-N,N-diisopropylbutanamide",NA,"CC(C)N(C(C)C)C(=O)CC(=NNC(=O)C1=CC=NC=C1)C","QAQVAYQXTAWVGT-QGOAFFKASA-N",9555851,NA,"PDBC20062","642070","Present",NA,NA
+"20063","3-(Isopropoxymethyl)-3,6-dihydro-2H-1,3,5-oxadiazin-4-ylcyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Isopropoxymethyl)-3,6-dihydro-2H-1,3,5-oxadiazin-4-ylcyanamide",NA,"CC(C)OCN1COCN=C1NC#N","KTESWORTEJFIOE-UHFFFAOYSA-N",370385,NA,"PDBC20063","643477","Present",NA,NA
+"20064","3-(Methoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Methoxymethyl)-5-methyl-1,3,5-oxadiazinan-4-one",NA,"CN1COCN(C1=O)COC","MOSWOCYONRPTOY-UHFFFAOYSA-N",368601,NA,"PDBC20064","639709","Present",NA,NA
+"20065","3-(Methyl-S-glutathionyl)oxindole-diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(methyl-S-glutathionyl)oxindole-diethyl ester",NA,"CCOC(=O)CNC(=O)C(CSCC1C2=CC=CC=C2NC1=O)NC(=O)CCC(C(=O)OCC)N.OS(=O)(=O)O","MBVYZSUOWHSFMZ-UHFFFAOYSA-N",403790,NA,"PDBC20065","719280","Present",NA,NA
+"20066","3-(Methyl-phenyl-hydrazono)-1,3-dihydro-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Methyl-phenyl-hydrazono)-1,3-dihydro-indol-2-one",NA,"CN(C1=CC=CC=C1)N=C2C3=CC=CC=C3NC2=O","HKGGKNGFKPPLAY-UHFFFAOYSA-N",135403203,NA,"PDBC20066","362664","Present",NA,NA
+"20067","3-(Methylanilino)-1-phenyl-4-(2-phenylvinyl)-2-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Methylanilino)-1-phenyl-4-(2-phenylvinyl)-2-azetidinone",NA,"CN(C1C(N(C1=O)C2=CC=CC=C2)C=CC3=CC=CC=C3)C4=CC=CC=C4","LDNPWLLXLIEPKG-ISLYRVAYSA-N",5387746,NA,"PDBC20067","626661","Present",NA,NA
+"20068","3-(Methylsulfonyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4d]pyrimidine-4,6-diol, 3-(methylsulfonyl)-",NA,"CS(=O)(=O)C1=C2C(=NN1)NC(=O)NC2=O","SXSVIPUOKHLSNU-UHFFFAOYSA-N",135409160,NA,"PDBC20068","661803","Present",NA,NA
+"20069","3-(Methylthio)-2-((methylthio)methyl)-2-(4-pyridinyl)propyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Methylthio)-2-((methylthio)methyl)-2-(4-pyridinyl)propyl acetate",NA,"CC(=O)OCC(CSC)(CSC)C1=CC=NC=C1","SMPSOPQVBDKMKQ-UHFFFAOYSA-N",365731,NA,"PDBC20069","633674","Present",NA,NA
+"20070","3-(Naphthalen-1-ylcarbamoylsulfanyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Naphthalen-1-ylcarbamoylsulfanyl)propanoic acid",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)SCCC(=O)O","PQNDZWUBJGAFKV-UHFFFAOYSA-N",359049,NA,"PDBC20070","619426","Present",NA,NA
+"20071","3-(Naphthalen-1-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Naphthalen-1-ylmethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)CC2=CC=CC3=CC=CC=C32","SZWOQRXRMVSHAU-UHFFFAOYSA-N",383370,NA,"PDBC20071","671534","Present",NA,NA
+"20072","3-(Octoxymethyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Octyloxy)methyl]-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"CCCCCCCCOCC1S(=O)(=O)OCCOS1(=O)=O","IICDGARHNOFTQY-UHFFFAOYSA-N",383371,NA,"PDBC20072","671535","Present",NA,NA
+"20073","3-(P-Tolyl)-1'-acrylonaphthone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(P-TOLYL)-1'-ACRYLONAPHTHONE",NA,"CC1=CC=C(C=C1)C=CC(=O)C2=CC=CC3=CC=CC=C32","GMEVIIOICMDAAI-BUHFOSPRSA-N",5387162,NA,"PDBC20073","621373","Present",NA,NA
+"20074","3-(Phenylcarbamoylsulfanyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(N-Phenylthiocarbamoyl)-propanoic acid",NA,"C1=CC=C(C=C1)NC(=O)SCCC(=O)O","DCFLRUZDCOFBQW-UHFFFAOYSA-N",363895,NA,"PDBC20074","629282","Present",NA,NA
+"20075","3-(Phenylsulfonyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Phenylsulfonyl)-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C(C=C1)S(=O)(=O)C2C3=CC=CC=C3NC2=O","RKPDNDGTCPSITA-UHFFFAOYSA-N",394437,NA,"PDBC20075","697913","Present",NA,NA
+"20076","3-(Phenylthio)-2,3,5,6,7,8,9,10-octahydrocyclopenta[a]cyclononen-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Phenylthio)-2,3,5,6,7,8,9,10-octahydrocyclopenta[a]cyclononen-4(1H)-one",NA,"C1CCCC(=O)C2=C(CC1)CCC2SC3=CC=CC=C3","NBRLIHRSXFTTPT-UHFFFAOYSA-N",375495,NA,"PDBC20076","655277","Present",NA,NA
+"20077","3-(Piperidine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Piperidin-1-ylcarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,"C1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3","ZTSWBUOMLFPBHY-UHFFFAOYSA-N",369530,NA,"PDBC20077","641387","Present",NA,NA
+"20078","3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Pyrimidin-2-ylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid",NA,"C1=CN=C(N=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3","QMDVGAHLIPJCNF-UHFFFAOYSA-N",240640,NA,"PDBC20078","47067","Present",NA,NA
+"20079","3-(Quinazolin-4-ylamino)propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Quinazolin-4-ylamino)propane-1,2-diol",NA,"C1=CC=C2C(=C1)C(=NC=N2)NCC(CO)O","UZWXFNTWGDDBQM-UHFFFAOYSA-N",224591,NA,"PDBC20079","13220","Present",NA,NA
+"20080","3-(Tert-Butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Tert-Butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol",NA,"CC1(C2CCC1(C(C2NC(C)(C)C)O)C)C","VBIQESJEDOKYKY-UHFFFAOYSA-N",395324,NA,"PDBC20080","699806","Present",NA,NA
+"20081","3-(Tert-butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Tert-butylamino)-1-[1,3-dichloro-6-(trifluoromethyl)phenanthren-9-yl]propan-1-ol;hydrochloride",NA,"CC(C)(C)NCCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.Cl","DOHISOSZKIPXCS-UHFFFAOYSA-N",24198834,NA,"PDBC20081","305804","Present",NA,NA
+"20082","3-(Thiatriazol-5-yl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Thiatriazol-5-yl)-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione",NA,"C1=CNC2=C(C(=O)NN2C1=O)C3=NN=NS3","MZFSQPVONRRWSI-UHFFFAOYSA-N",373162,NA,"PDBC20082","649105","Present",NA,NA
+"20083","3-(Thien-3-yl)-2,3-dihydro-1H-pyrrolizin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Thien-3-yl)-2,3-dihydro-1H-pyrrolizin-1-one",NA,"C1C(N2C=CC=C2C1=O)C3=CSC=C3","SSBCVAVDQFNSEM-UHFFFAOYSA-N",389724,NA,"PDBC20083","686316","Present",NA,NA
+"20084","3-(Thiiran-2-ylmethyl)-1,3-benzothiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,3-epithiopropyl)-benzothiazol-2-one",NA,"C1C(S1)CN2C3=CC=CC=C3SC2=O","DICUZNMOOWBTLR-UHFFFAOYSA-N",374917,NA,"PDBC20084","653502","Present",NA,NA
+"20085","3-(Trichlorovinyl)-2-quinolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Trichlorovinyl)-2-quinolone",NA,"C1=CC=C2C(=C1)C=C(C(=O)N2)C(=C(Cl)Cl)Cl","QKTCNZJUWXGOBW-UHFFFAOYSA-N",358982,NA,"PDBC20085","619189","Present",NA,NA
+"20086","3-(Trityloxy)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-trityloxy-propanol",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCCO","YCTXPSAULMVEOX-UHFFFAOYSA-N",371701,NA,"PDBC20086","646151","Present",NA,NA
+"20087","3-(Ureidomethylene)-2,4-chromanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7P-503S",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC(=O)N)O","YFYGYSIOKAKUQT-WLRTZDKTSA-N",135409038,NA,"PDBC20087","655963","Present",NA,NA
+"20088","3-([2,5-Dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-([2,3']Bisindolyl-3-yl)-4-(indol-3-yl)-1-methylpyrrole...",NA,"CN1C(=O)C(=C(C1=O)C2=C(NC3=CC=CC=C32)C4=CNC5=CC=CC=C54)C6=CNC7=CC=CC=C76","FVWIGKJPZXNSTP-UHFFFAOYSA-N",406498,NA,"PDBC20088","724625","Present",NA,NA
+"20089","3-(beta-D-Ribofuranosyl)-5-aminopyrazolo[4,3-d]pyrimidine-7-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(.beta.-D-ribofuranosyl)-5-aminopyrazolo[4,3-d]pyrimid...",NA,"C1=C(NC(=S)C2=NNC(=C21)C3C(C(C(O3)CO)O)O)N","PTHQAQQFLXGMLE-UHFFFAOYSA-N",3732652,NA,"PDBC20089","639647","Present",NA,NA
+"20090","3-(o-Anisoyl)-4-piperidino-3-cyclobutene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(o-Anisoyl)-4-piperidino-3-cyclobutene-1,2-dione",NA,"COC1=CC=CC=C1C(=O)C2=C(C(=O)C2=O)N3CCCCC3","ZLVIKBYPXYQQTJ-UHFFFAOYSA-N",389276,NA,"PDBC20090","685029","Present",NA,NA
+"20091","3-(o-Tolyl)-6-phenyl-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(o-Tolyl)-6-phenyl-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione",NA,"CC1=CC=CC=C1N2C3=C(C(=O)N(C(=S)N3)C4=CC=CC=C4)SC2=O","UKYLOJNRWOAGRZ-UHFFFAOYSA-N",3004156,NA,"PDBC20091","633183","Present",NA,NA
+"20092","3-(oxo[?]yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(oxo[?]yl)propanoic acid",NA,"C1=CC=C2C(=C1)C=CC3=C2N4C(=NC(=O)C(=N4)CCC(=O)O)S3","RMRWKVKEKSKGOG-UHFFFAOYSA-N",365001,NA,"PDBC20092","631910","Present",NA,NA
+"20093","3-(p-Aminophenylthio)-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Amino-phenylsulfanyl)-benzo[de]benzo[4,5]imidazo[2,...",NA,"C1=CC=C2C(=C1)N=C3N2C(=O)C4=CC=CC5=C(C=CC3=C54)SC6=CC=C(C=C6)N","JWZBJFTVSGFWQH-UHFFFAOYSA-N",73346215,NA,"PDBC20093","764766","Present",NA,NA
+"20094","3-(p-Coumaroyl)ursolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-3-O-p-hydroxycinnamoyl ursolic acid",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)C)C2C1C)C)C(=O)O","ZOXDAGKKDOEJBW-YVZDRRNJSA-N",24203733,NA,"PDBC20094","729212","Present",NA,NA
+"20095","3-(p-Hydroxyanilinomethyl)-benzothiazoline-2-thione hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T56 BNYSJ B1MR DQ& CUS &GH",NA,"C1=CC=C2C(=C1)N(C(=S)S2)CNC3=CC=C(C=C3)O.Cl","GFHGXYFPFUPDMZ-UHFFFAOYSA-N",24189323,NA,"PDBC20095","87596","Present",NA,NA
+"20096","3-(p-Tolyl)-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(p-Tolyl)-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,"CC1=CC=C(C=C1)C=NN2C(=NNC2=O)C3=CC=C(C=C3)C","XPHDGBPLNRFWTP-WOJGMQOQSA-N",9556309,NA,"PDBC20096","690624","Present",NA,NA
+"20097","3-(p-Tolyl)-5-[[3-(p-tolyl)-1H-1,2,4-triazol-5-yl]methyl]-1H-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methylphenyl)-5-((3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl)methyl)-1H-1,2,4-triazole",NA,"CC1=CC=C(C=C1)C2=NNC(=N2)CC3=NC(=NN3)C4=CC=C(C=C4)C","XZOKJMHKJYUQIN-UHFFFAOYSA-N",390147,NA,"PDBC20097","687215","Present",NA,NA
+"20098","3-(p-Tolylcarbamothioylsulfanyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(4-Methylphenyldithiocarbamoyl)]-propanoic acid",NA,"CC1=CC=C(C=C1)NC(=S)SCCC(=O)O","JUEVYZYAFOGVTR-UHFFFAOYSA-N",3004114,NA,"PDBC20098","629289","Present",NA,NA
+"20099","3-(p-Tolylthio)-5-ethoxypyrano[3,2-c]chromen-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(p-tolylthio)-5-ethoxypyrano[3,2-c]chromen-2(5H)-one",NA,"CCOC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)SC4=CC=C(C=C4)C","MPICXUDZYFVPHX-UHFFFAOYSA-N",24205749,NA,"PDBC20099","736564","Present",NA,NA
+"20100","3-(p-Tolylthio)-5-hydroxypyrano[3,2-c]chromen-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(p-tolylthio)-5-hydroxypyrano[3,2-c]chromen-2(5H)-one",NA,"CC1=CC=C(C=C1)SC2=CC3=C(C4=CC=CC=C4OC3O)OC2=O","UPTLKUMTKWRSRL-UHFFFAOYSA-N",24205007,NA,"PDBC20100","733931","Present",NA,NA
+"20101","3-(tert-Butyldimethylsilyloxymethyl)-3-butene-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(tert-Butyldimethylsilyloxymethyl)-3-butene-2-one",NA,"CC(=O)C(=C)CO[Si](C)(C)C(C)(C)C","AJZPQWIBTBMING-UHFFFAOYSA-N",376774,NA,"PDBC20101","657834","Present",NA,NA
+"20102","3-3'-(1H-Pyrazole-3,5-diyl)bis(1-methoxy-1-methyl-1H-indole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-3'-(1H-pyrazole-3,5-diyl)bis(1-methoxy-1-methyl-1H-ind...",NA,"CN1C=C(C2=C1C=CC(=C2)OC)C3=CC(=NN3)C4=CN(C5=C4C=C(C=C5)OC)C","YFDGWEHJQQOPNS-UHFFFAOYSA-N",44433921,NA,"PDBC20102","740346","Present",NA,NA
+"20103","3-3'-(1H-Pyrazole-3,5-diyl)bis(1-methyl-1H-indole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-3'-(1H-pyrazole-3,5-diyl)bis(1-methyl-1H-indole)",NA,"CN1C=C(C2=CC=CC=C21)C3=CC(=NN3)C4=CN(C5=CC=CC=C54)C","YHFOLFSLWCSZMZ-UHFFFAOYSA-N",44433919,NA,"PDBC20103","740345","Present",NA,NA
+"20104","3-3'-(1H-Pyrazole-3,5-diyl)bis(5-chloro-1-methyl-1H-indole)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-3'-(1H-pyrazole-3,5-diyl)bis(5-chloro-1-methyl-1H-indole)",NA,"CN1C=C(C2=C1C=CC(=C2)Cl)C3=CC(=NN3)C4=CN(C5=C4C=C(C=C5)Cl)C","ULHDGHLSWLMACI-UHFFFAOYSA-N",24779697,NA,"PDBC20104","740347","Present",NA,NA
+"20105","3-Acetoxy-2',4'-dimethoxy-5'-prenylchalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetoxy-2',4'-dimethoxy-5'-prenylchalcone",NA,"CC(=CCC1=CC(=C(C=C1OC)OC)C(=O)C=CC2=CC(=CC=C2)OC(=O)C)C","AAGSJGOTYGEMQY-ZRDIBKRKSA-N",54613272,NA,"PDBC20105","749210","Present",NA,NA
+"20106","3-Acetoxymethyl-1-methyl-5-methoxyindole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-acetoxymethyl-1-methyl-5-methoxyindole-4,7-dione",NA,"CC(=O)OCC1=CN(C2=C1C(=O)C(=CC2=O)OC)C","BJYZQIACLHYFPT-UHFFFAOYSA-N",404937,NA,"PDBC20106","721515","Present",NA,NA
+"20107","3-Acetoxymethyl-2-tribromomethylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PNKOPSUYMMDTKJ-UHFFFAOYSA-N",NA,"CC(=O)OCC1=CC2=CC=CC=C2N=C1C(Br)(Br)Br","PNKOPSUYMMDTKJ-UHFFFAOYSA-N",281015,NA,"PDBC20107","133479","Present",NA,NA
+"20108","3-Acetoxyquinuclidine-borane complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetoxyquinuclidine-borane complex",NA,"B.CC(=O)OC1CN2CCC1CC2","GMHWZXWFAXUVPT-UHFFFAOYSA-N",376771,NA,"PDBC20108","657830","Present",NA,NA
+"20109","3-Acetyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole",NA,"CC(=O)N1CCC2=C(CC1)NC3=CC=CC=C23","YURQUERVVOOJLO-UHFFFAOYSA-N",370425,NA,"PDBC20109","643521","Present",NA,NA
+"20110","3-Acetyl-1-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-1-(3,4-dichlorophenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-one",NA,"CC(=O)N1C(=CN(C1=O)C2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C(=C3)OC)OC)OC","JBSHPDXWUOBFSE-UHFFFAOYSA-N",45028257,NA,"PDBC20110","741939","Present",NA,NA
+"20111","3-Acetyl-1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-1-(4-chlorophenyl)-4-(3,4-dichlorophenyl)imidazol-2-one",NA,"CC(=O)N1C(=CN(C1=O)C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)Cl)Cl","DXBQYKDRYXCUEI-UHFFFAOYSA-N",45028255,NA,"PDBC20111","741937","Present",NA,NA
+"20112","3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(trimethylazaniumyl)hexopyranoside chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[(3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]-3-hydroxy-2-methyloxan-4-yl]-trimethylazanium;chloride",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)[N+](C)(C)C)O.[Cl-]","ZFNCGVKUDIVKOY-UHFFFAOYSA-N",24197028,NA,"PDBC20112","245426","Present",NA,NA
+"20113","3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-(4-methylphenyl)naphtho[2,3-g]indole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-(4-methylphenyl)naphtho[2,3-g]indole-6,11-dione",NA,"CC1=CC=C(C=C1)N2C(=C(C3(C2(C4=C(C(=C3)O)C(=O)C5=CC=CC=C5C4=O)O)Cl)C(=O)C)C","XLRFSXXMTIHPOE-UHFFFAOYSA-N",405625,NA,"PDBC20113","722995","Present",NA,NA
+"20114","3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-phenylnaphtho[2,3-g]indole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-3a-chloro-5,11b-dihydroxy-2-methyl-1-phenylnaphtho[2,3-g]indole-6,11-dione",NA,"CC1=C(C2(C=C(C3=C(C2(N1C4=CC=CC=C4)O)C(=O)C5=CC=CC=C5C3=O)O)Cl)C(=O)C","SDEXRDSIOLKIPO-UHFFFAOYSA-N",405353,NA,"PDBC20114","722576","Present",NA,NA
+"20115","3-Acetyl-4-hydroxy-5,6,7,8-tetrahydro-2(1H)-quinolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-2-hydroxy-5,6,7,8-tetrahydroquinolin-4(1H)-one",NA,"CC(=O)C1=C(C2=C(CCCC2)NC1=O)O","FILDTPHSZCHKAV-UHFFFAOYSA-N",54676225,NA,"PDBC20115","623556","Present",NA,NA
+"20116","3-Acetyl-4-oxo-4H-chromen-7-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-4-oxo-4H-chromen-7-yl acetate",NA,"CC(=O)C1=COC2=C(C1=O)C=CC(=C2)OC(=O)C","WKGRSGWWNZCRJW-UHFFFAOYSA-N",360500,NA,"PDBC20116","622634","Present",NA,NA
+"20117","3-Acetyl-6-((2-ethoxyphenyl)diazenyl)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-6-((2-ethoxyphenyl)diazenyl)-2H-chromen-2-one",NA,"CCOC1=CC=CC=C1N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)C","XGYUEUZCLNDELL-UHFFFAOYSA-N",369379,NA,"PDBC20117","641141","Present",NA,NA
+"20118","3-Acetyl-8-methoxy-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_024922",NA,"CC(=O)C1=CC2=C(C(=CC=C2)OC)OC1=O","YZYLMMBZCXTXLW-UHFFFAOYSA-N",227363,NA,"PDBC20118","18921","Present",NA,NA
+"20119","3-Acetyl-N',2-diphenyl-1,3-thiazolidine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-N',2-diphenyl-1,3-thiazolidine-4-carbohydrazide",NA,"CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NNC3=CC=CC=C3","BLKAUWDHKQFPLR-UHFFFAOYSA-N",381977,NA,"PDBC20119","669297","Present",NA,NA
+"20120","3-Acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-N-cyclohexyl-2-phenyl-1,3-thiazolidine-4-carboxamide",NA,"CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NC3CCCCC3","GCLYLGCAKWAGTN-UHFFFAOYSA-N",381980,NA,"PDBC20120","669300","Present",NA,NA
+"20121","3-Acetyl-N-methyl-2-thioxo-1-imidazolidinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-N-methyl-2-thioxo-1-imidazolidinecarbothioamide",NA,"CC(=O)N1CCN(C1=S)C(=S)NC","DSDKEXPYZIMSCM-UHFFFAOYSA-N",3005457,NA,"PDBC20121","704179","Present",NA,NA
+"20122","3-Acetylbenzo[f][1]benzothiole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-b]thiophene-4,9-dione, 3-acetyl-",NA,"CC(=O)C1=CSC2=C1C(=O)C3=CC=CC=C3C2=O","OGTQKTFODXNYJH-UHFFFAOYSA-N",392894,NA,"PDBC20122","694072","Present",NA,NA
+"20123","3-Acetylethenyl-4-benzothien-3'-yl-1,2-dihydronaphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetylethenyl-4-benzothien-3'-yl-1,2-dihydronaphthalene",NA,"CC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CSC4=CC=CC=C43","BFHFZKOVYUCZCM-ZHACJKMWSA-N",24205627,NA,"PDBC20123","736291","Present",NA,NA
+"20124","3-Acetylethenyl-4-thienyl-1,2-dihydronaphthaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetylethenyl-4-thienyl-1,2-dihydronaphthaline",NA,"CC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CC=CS3","SJQBISJIYZSYCC-CMDGGOBGSA-N",24205359,NA,"PDBC20124","735310","Present",NA,NA
+"20125","3-Acridin-9-yl-5-ethylsulfanyl-1,3,4-thiadiazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acridin-9-yl-5-ethylsulfanyl-1,3,4-thiadiazole-2-thione",NA,"CCSC1=NN(C(=S)S1)C2=C3C=CC=CC3=NC4=CC=CC=C42","WOELHTGKZYFIQW-UHFFFAOYSA-N",390165,NA,"PDBC20125","687310","Present",NA,NA
+"20126","3-Adenin-9-yl-2-hydroxypropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purine-9-propanoic acid, 6-amino-alpha-hydroxy-, (RS)",NA,"C1=NC(=C2C(=N1)N(C=N2)CC(C(=O)O)O)N","UHOFECKRSHSYNE-UHFFFAOYSA-N",146832,NA,"PDBC20126","625169","Present",NA,NA
+"20127","3-Allyl-1-benzyl-3-methyl-2-piperidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Allyl-1-benzyl-3-methyl-2-piperidinone",NA,"CC1(CCCN(C1=O)CC2=CC=CC=C2)CC=C","QNFIOOXROPFZMQ-UHFFFAOYSA-N",379189,NA,"PDBC20127","663597","Present",NA,NA
+"20128","3-Allyl-2,4-quinolinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-05904",NA,"C=CCC1=C(C2=CC=CC=C2NC1=O)O","RBJWVYAOEWLLGM-UHFFFAOYSA-N",54680430,NA,"PDBC20128","675806","Present",NA,NA
+"20129","3-Allyl-2-hydroxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Allylsalicylaldehyde",NA,"C=CCC1=C(C(=CC=C1)C=O)O","INLWEXRRMUMHKB-UHFFFAOYSA-N",141062,NA,"PDBC20129","775632","Present",NA,NA
+"20130","3-Allyl-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Allyl-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one",NA,"C=CCC1(C(=O)OC2C1(OCC2O)O)O","KBBIRRJMHPBLJL-UHFFFAOYSA-N",387130,NA,"PDBC20130","680538","Present",NA,NA
+"20131","3-Allyl-3-allyloxy-3a,6-dihydroxy-tetrahydro-furo[3,2-b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Allyl-3-allyloxy-3a,6-dihydroxy-tetrahydro-furo[3,2-b]furan-2-one",NA,"C=CCC1(C(=O)OC2C1(OCC2O)O)OCC=C","ZAZBKBQNBWZPKP-UHFFFAOYSA-N",387131,NA,"PDBC20131","680539","Present",NA,NA
+"20132","3-Allyl-4-(4-nitrophenyl)thiazol-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Allyl-4-(4-nitrophenyl)thiazol-2-imine",NA,"C=CCN1C(=CSC1=N)C2=CC=C(C=C2)[N+](=O)[O-]","XCCTZRDOSVDXGM-UHFFFAOYSA-N",387332,NA,"PDBC20132","681076","Present",NA,NA
+"20133","3-Allyl-5-(4-methoxybenzylidene)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK968464",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CC=C","BVIPBUYSOPOCSU-XFXZXTDPSA-N",1041244,NA,"PDBC20133","703020","Present",NA,NA
+"20134","3-Allyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Allyl-5-cyclohexyl-1,3,5-thiadiazinane-2-thione",NA,"C=CCN1CN(CSC1=S)C2CCCCC2","KSCVKHUKEGAULY-UHFFFAOYSA-N",399773,NA,"PDBC20134","710868","Present",NA,NA
+"20135","3-Allyl-7-mercapto-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Allyl-7-mercapto-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,"C=CCN1C2=C(C(N=CN2)S)SC1=S","IVARXRNWUSMIOK-UHFFFAOYSA-N",373690,NA,"PDBC20135","650582","Present",NA,NA
+"20136","3-Amino-1,4-dioxido-N-phenyl-quinoxaline-1,4-diium-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-1,4-dioxido-N-phenyl-quinoxaline-1,4-diium-2-carboxamide",NA,"C1=CC=C(C=C1)NC(=O)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-]","YGGHTARZSGUZMI-UHFFFAOYSA-N",135483915,NA,"PDBC20136","621496","Present",NA,NA
+"20137","3-Amino-1-(2,5-dimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-1-(2,5-dimethoxyphenyl)azetidin-2-one",NA,"COC1=CC(=C(C=C1)OC)N2CC(C2=O)N","BNJNAIHVFXLFSL-UHFFFAOYSA-N",357702,NA,"PDBC20137","617219","Present",NA,NA
+"20138","3-Amino-1-(3,4-dimethoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-1-(3,4-dimethoxyphenyl)-5-methyl-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile",NA,"CC1CCCC2=C1C(=C(OC2C3=CC(=C(C=C3)OC)OC)N)C#N","DHOQBHRVLACOAQ-UHFFFAOYSA-N",391514,NA,"PDBC20138","690762","Present",NA,NA
+"20139","3-Amino-1-(3,4-dimethoxyphenyl)-8-methyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-1-(3,4-dimethoxyphenyl)-8-methyl-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile",NA,"CC1CCCC2=C1C(NC(=C2C#N)N)C3=CC(=C(C=C3)OC)OC","GUWTUEWWTLWBKU-UHFFFAOYSA-N",391512,NA,"PDBC20139","690760","Present",NA,NA
+"20140","3-Amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-1-(4-chlorophenyl)-5-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile",NA,"CC1CCCC2=C1C(=C(N=C2C3=CC=C(C=C3)Cl)N)C#N","YMXJDOJEEXWEKV-UHFFFAOYSA-N",391516,NA,"PDBC20140","690764","Present",NA,NA
+"20141","3-Amino-1-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-1-(4-chlorophenyl)-8-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile",NA,"CC1CCCC2=C(C(=NC(=C12)C3=CC=C(C=C3)Cl)N)C#N","IMBYBCKNZJANRE-UHFFFAOYSA-N",391515,NA,"PDBC20141","690763","Present",NA,NA
+"20142","3-Amino-1-hydroxy-propane-1,1-bisphosphonate (sodium salt)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-1-hydroxy-propane-1,1-bisphosphonate (sodium salt)",NA,"C(CN)C(O)(P(=O)(O)O)P(=O)(O)O.[Na+]","AFICAMMULQSNNG-UHFFFAOYSA-N",10236235,NA,"PDBC20142","722600","Present",NA,NA
+"20143","3-Amino-1-methyl-2,6-diphenylpiperidin-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-1-methyl-2,6-diphenylpiperidin-4-one;hydrochloride",NA,"CN1C(CC(=O)C(C1C2=CC=CC=C2)N)C3=CC=CC=C3.Cl","FOWNGOWANBWDCB-UHFFFAOYSA-N",54611065,NA,"PDBC20143","360220","Present",NA,NA
+"20144","3-Amino-10H-acridine-9-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-9(10h)-thioacridone",NA,"C1=CC=C2C(=C1)C(=S)C3=C(N2)C=C(C=C3)N","LHMSGVQQFOFVAP-UHFFFAOYSA-N",3620127,NA,"PDBC20144","680434","Present",NA,NA
+"20145","3-Amino-2,8-dichloro-5H-phenanthridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2,8-dichlorophenanthridin-6(5h)-one",NA,"C1=CC2=C(C=C1Cl)C(=O)NC3=CC(=C(C=C23)Cl)N","HMNIKNJZNATMSI-UHFFFAOYSA-N",278044,NA,"PDBC20145","127140","Present",NA,NA
+"20146","3-Amino-2-(1,3-benzothiazol-2-yl)-4-(1-naphthyl)-7-nitro-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(1,3-benzothiazol-2-yl)-4-(1-naphthyl)-7-nitro-isoquinolin-1-one",NA,"C1=CC=C2C(=C1)C=CC=C2C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=NC6=CC=CC=C6S5)N","BHCBUFMRZPERKN-UHFFFAOYSA-N",393003,NA,"PDBC20146","694255","Present",NA,NA
+"20147","3-Amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one",NA,"COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N","TVBATBXJNMITFV-UHFFFAOYSA-N",393002,NA,"PDBC20147","694254","Present",NA,NA
+"20148","3-Amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile",NA,"C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N)N","TVUIZKJHEDAOQC-UHFFFAOYSA-N",393005,NA,"PDBC20148","694257","Present",NA,NA
+"20149","3-Amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-isoquinoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-isoquinoline-4-carboxylic acid",NA,"C1=CC=C2C(=C1)N=C(S2)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C(=O)O)N","LIMPGNHPOWHOHY-UHFFFAOYSA-N",393031,NA,"PDBC20149","694275","Present",NA,NA
+"20150","3-Amino-2-(2-chlorophenyl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AH-034/07382016",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC=CC=C3Cl)N","DFQNEVQVEIIPDN-UHFFFAOYSA-N",363479,NA,"PDBC20150","628403","Present",NA,NA
+"20151","3-Amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(3,5-dimethoxyphenyl)-4-(1-methylbenzimidazol-2-yl)-7-nitro-isoquinolin-1-one",NA,"CN1C2=CC=CC=C2N=C1C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC(=CC(=C5)OC)OC)N","TWQFVWAXIUGJAB-UHFFFAOYSA-N",391663,NA,"PDBC20151","691205","Present",NA,NA
+"20152","3-Amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(3,5-dimethoxyphenyl)-4-(4-methoxyphenyl)-7-nitro-isoquinolin-1-one",NA,"COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC(=CC(=C4)OC)OC)N","JRUNGKHANWHDCH-UHFFFAOYSA-N",392508,NA,"PDBC20152","693025","Present",NA,NA
+"20153","3-Amino-2-(3,5-dimethoxyphenyl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(3,5-dimethoxyphenyl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile",NA,"COC1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N)OC","AHYHDQBLPQHRNR-UHFFFAOYSA-N",391665,NA,"PDBC20153","691207","Present",NA,NA
+"20154","3-Amino-2-(3-amino-4-oxo-quinazolin-2-yl)sulfanyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(3H)-Quinazolinone, 2,2'-thiobis[3-amino-",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)SC3=NC4=CC=CC=C4C(=O)N3N)N","KYPLKQLLJQEVNV-UHFFFAOYSA-N",396306,NA,"PDBC20154","702030","Present",NA,NA
+"20155","3-Amino-2-(3-chlorophenyl)quinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL481293",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)Cl)N","XVICHDPWQXYHQJ-UHFFFAOYSA-N",363480,NA,"PDBC20155","628404","Present",NA,NA
+"20156","3-Amino-2-(3-methoxyphenyl)-7-nitro-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(3-methoxyphenyl)-7-nitro-4-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]isoquinolin-1-one",NA,"COC1=CC=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=C(S4)C=CC(=C5)C(F)(F)F)N","STLGOJJJAACMCT-UHFFFAOYSA-N",395232,NA,"PDBC20156","699707","Present",NA,NA
+"20157","3-Amino-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxo-isoquinoline-4-carbonitrile",NA,"COC1=CC(=NC(=N1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N)OC","WVODFXFFMSUIFX-UHFFFAOYSA-N",392503,NA,"PDBC20157","693020","Present",NA,NA
+"20158","3-Amino-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxo-isoquinoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(4,6-dimethoxypyrimidin-2-yl)-7-nitro-1-oxo-isoquinoline-4-carboxylic acid",NA,"COC1=CC(=NC(=N1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O)N)OC","UOVSYAXFRSURSV-UHFFFAOYSA-N",393030,NA,"PDBC20158","694274","Present",NA,NA
+"20159","3-Amino-2-(4-methoxyphenyl)inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-(4-methoxyphenyl)inden-1-one",NA,"COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)N","GRRVQHAWHJWKLV-UHFFFAOYSA-N",389549,NA,"PDBC20159","685854","Present",NA,NA
+"20160","3-Amino-2-(4-methylanilino)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-[(4-methylphenyl)amino]quinazolin-4(3h)-one",NA,"CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=O)N2N","RRZYJEAUFMPEIK-UHFFFAOYSA-N",402159,NA,"PDBC20160","716022","Present",NA,NA
+"20161","3-Amino-2-(benzyloxycarbonylamino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-34828",NA,"C1=CC=C(C=C1)COC(=O)NC(CN)C(=O)O","FOXRXVSTFGNURG-UHFFFAOYSA-N",369330,NA,"PDBC20161","641084","Present",NA,NA
+"20162","3-Amino-2-[(4-methylphenyl)sulfonylamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC85420",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(CN)C(=O)O","NOFBBVASBDIESZ-UHFFFAOYSA-N",319322,NA,"PDBC20162","85420","Present",NA,NA
+"20163","3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carbonitrile",NA,"COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N","DIFCRXZPRJSBTM-UHFFFAOYSA-N",391664,NA,"PDBC20163","691206","Present",NA,NA
+"20164","3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-1-oxo-isoquinoline-4-carboxylic acid",NA,"COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C(=O)O)N","IQGLIWMOIDKRRF-UHFFFAOYSA-N",393032,NA,"PDBC20164","694276","Present",NA,NA
+"20165","3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-4-phenyl-isoquinolin-1-one",NA,"COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N","GOBFVUPFALHYGS-UHFFFAOYSA-N",391660,NA,"PDBC20165","691202","Present",NA,NA
+"20166","3-Amino-2-benzoylcarbamylmethylenethio-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Amino-4-oxo-quinazolin-2-yl)sulfanyl-N-benzyl-acetamide",NA,"C1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2N","ANCBOQLFQSNTLY-UHFFFAOYSA-N",395165,NA,"PDBC20166","699465","Present",NA,NA
+"20167","3-Amino-2-cyano-3-(4-methyl-1-piperazinyl)-N-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-cyano-3-(4-methyl-1-piperazinyl)-N-phenylacrylamide",NA,"CN1CCN(CC1)C(=C(C#N)C(=O)NC2=CC=CC=C2)N","NMXZDSGVCJBORS-BUHFOSPRSA-N",3005443,NA,"PDBC20167","700469","Present",NA,NA
+"20168","3-Amino-2-cyano-3-(4-morpholinyl)-N-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-cyano-3-(4-morpholinyl)-N-phenylacrylamide",NA,"C1COCCN1C(=C(C#N)C(=O)NC2=CC=CC=C2)N","WIBGSLJNGVONLA-OUKQBFOZSA-N",3005442,NA,"PDBC20168","700468","Present",NA,NA
+"20169","3-Amino-2-cyano-N-methyl-3-(1-pyrrolidinyl)-2-propenethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-cyano-N-methyl-3-(1-pyrrolidinyl)-2-propenethioamide",NA,"CNC(=S)C(=C(N)N1CCCC1)C#N","YAETUUWVMFXBHB-BQYQJAHWSA-N",3005130,NA,"PDBC20169","675876","Present",NA,NA
+"20170","3-Amino-2-cyano-N-methyl-3-(1-pyrrolidinyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-cyano-N-methyl-3-(1-pyrrolidinyl)acrylamide",NA,"CNC(=O)C(=C(N)N1CCCC1)C#N","FFPZWCYSGHSFMM-BQYQJAHWSA-N",3005129,NA,"PDBC20170","675875","Present",NA,NA
+"20171","3-Amino-2-cyano-N-phenyl-3-(1-piperidinyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-cyano-N-phenyl-3-(1-piperidinyl)acrylamide",NA,"C1CCN(CC1)C(=C(C#N)C(=O)NC2=CC=CC=C2)N","KPOLMFRXCXJTPA-BUHFOSPRSA-N",3005441,NA,"PDBC20171","700467","Present",NA,NA
+"20172","3-Amino-2-cyano-N-phenyl-3-(1-pyrrolidinyl)-2-propenethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-cyano-N-phenyl-3-(1-pyrrolidinyl)-2-propenethioamide",NA,"C1CCN(C1)C(=C(C#N)C(=S)NC2=CC=CC=C2)N","FSXOUOJSDVWMMS-OUKQBFOZSA-N",3005133,NA,"PDBC20172","675879","Present",NA,NA
+"20173","3-Amino-2-cyano-N-phenyl-3-(1-pyrrolidinyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-2-cyano-N-phenyl-3-(1-pyrrolidinyl)acrylamide",NA,"C1CCN(C1)C(=C(C#N)C(=O)NC2=CC=CC=C2)N","BPQAXTCWIFZQIB-OUKQBFOZSA-N",3005132,NA,"PDBC20173","675878","Present",NA,NA
+"20174","3-Amino-3-(2-mercaptophenyl)-1,1-diphenyl-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-1,1-diphenyl-3-(2-sulfanylphenyl)propan-1-ol",NA,"C1=CC=C(C=C1)C(CC(C2=CC=CC=C2S)N)(C3=CC=CC=C3)O","ZLBXUJKEJGQLHH-UHFFFAOYSA-N",380383,NA,"PDBC20174","665898","Present",NA,NA
+"20175","3-Amino-3-(2H-tetrazol-5-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.545.232J",NA,"C(C(C1=NNN=N1)N)C(=O)N","RCWCQXFCPUFXTO-UHFFFAOYSA-N",297240,NA,"PDBC20175","168191","Present",NA,NA
+"20176","3-Amino-3-oxopropyl 2-iminocyclopentanecarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-3-oxopropyl 2-iminocyclopentanecarbodithioate",NA,"C1CC(C(=N)C1)C(=S)SCCC(=O)N","WMCNHHLCIWNSMC-UHFFFAOYSA-N",327579,NA,"PDBC20176","303288","Present",NA,NA
+"20177","3-Amino-4,5-dihydroxyhexanal;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DAUNOSAMINE",NA,"CC(C(C(CC=O)N)O)O.Cl","FHYCNFQONIRRCV-UHFFFAOYSA-N",54600176,NA,"PDBC20177","110344","Present",NA,NA
+"20178","3-Amino-4-((1-(((tert-butylamino)carbonyl)amino)ethyl)amino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-((1-(((tert-butylamino)carbonyl)amino)ethyl)amino)-4-oxobutanoic acid",NA,"CC(NC(=O)C(CC(=O)O)N)NC(=O)NC(C)(C)C","WAIDFOAREZIVFS-UHFFFAOYSA-N",382299,NA,"PDBC20178","669761","Present",NA,NA
+"20179","3-Amino-4-((1-((4-morpholinylcarbonyl)amino)ethyl)amino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-((1-((4-morpholinylcarbonyl)amino)ethyl)amino)-4-oxobutanoic acid",NA,"CC(NC(=O)C(CC(=O)O)N)NC(=O)N1CCOCC1","ACAWVSKXZGZWCJ-UHFFFAOYSA-N",382301,NA,"PDBC20179","669763","Present",NA,NA
+"20180","3-Amino-4-((1-((cyclobutylcarbonyl)amino)ethyl)amino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-((1-((cyclobutylcarbonyl)amino)ethyl)amino)-4-oxobutanoic acid",NA,"CC(NC(=O)C1CCC1)NC(=O)C(CC(=O)O)N","VUHVGIUNTZKDFX-UHFFFAOYSA-N",382298,NA,"PDBC20180","669760","Present",NA,NA
+"20181","3-Amino-4-((1-(methoxycarbonyl)-2,3-dimethylcyclopropyl)amino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-((1-(methoxycarbonyl)-2,3-dimethylcyclopropyl)amino)-4-oxobutanoic acid",NA,"CC1C(C1(C(=O)OC)NC(=O)C(CC(=O)O)N)C","TYYAGDQUOFWSCB-UHFFFAOYSA-N",382351,NA,"PDBC20181","669820","Present",NA,NA
+"20182","3-Amino-4-((1-benzyl-2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-((1-benzyl-2-((2-ethoxy-2-oxoethyl)amino)-2-oxoethyl)amino)-4-oxobutanoic acid",NA,"CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N","LIHWOYDKVVINNO-UHFFFAOYSA-N",381430,NA,"PDBC20182","668018","Present",NA,NA
+"20183","3-Amino-4-((2,2-dimethyl-3,7,14-trioxo-1,4,8-triazacyclotetradecan-13-yl)amino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-((2,2-dimethyl-3,7,14-trioxo-1,4,8-triazacyclotetradecan-13-yl)amino)-4-oxobutanoic acid",NA,"CC1(C(=O)NCCC(=O)NCCCCC(C(=O)N1)NC(=O)C(CC(=O)O)N)C","FWWXDMMSYCNSEN-UHFFFAOYSA-N",382289,NA,"PDBC20183","669751","Present",NA,NA
+"20184","3-Amino-4-((5-(methoxycarbonyl)-2,7-dioxo-1,6-diazacyclododecan-8-yl)amino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-((5-(methoxycarbonyl)-2,7-dioxo-1,6-diazacyclododecan-8-yl)amino)-4-oxobutanoic acid",NA,"COC(=O)C1CCC(=O)NCCCCC(C(=O)N1)NC(=O)C(CC(=O)O)N","ZOXJWMJCRUPUQY-UHFFFAOYSA-N",382292,NA,"PDBC20184","669754","Present",NA,NA
+"20185","3-Amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-(1,3-benzothiazol-2-yl)-2-(3,5-dimethoxyphenyl)-7-nitro-isoquinolin-1-one",NA,"COC1=CC(=CC(=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N)OC","XYXCBJUMSZFXAA-UHFFFAOYSA-N",391657,NA,"PDBC20185","691199","Present",NA,NA
+"20186","3-Amino-4-(1-benzyl-2-methoxy-2-oxoethoxy)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-(1-benzyl-2-methoxy-2-oxoethoxy)-4-oxobutanoic acid",NA,"COC(=O)C(CC1=CC=CC=C1)OC(=O)C(CC(=O)O)N","ATWMBLLZZHMUQX-UHFFFAOYSA-N",381460,NA,"PDBC20186","668047","Present",NA,NA
+"20187","3-Amino-4-(3,5-dichlorophenyl)-2-[2-(3-methoxyphenyl)ethyl]-7-nitro-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Isoquinoxalin-1-one, 3-amino-4-(3,5-dichlorophenyl)- ...",NA,"COC1=CC=CC(=C1)CCN2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC(=CC(=C4)Cl)Cl)N","OVJCLVWMKFHIHM-UHFFFAOYSA-N",391661,NA,"PDBC20187","691203","Present",NA,NA
+"20188","3-Amino-4-(4-bromophenyl)-N-cyano-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-(4-bromophenyl)-N-cyano-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboximidamide",NA,"C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C(=NC#N)N)N)C4=CC=C(C=C4)Br","HZZUVYBZKGVJCZ-UHFFFAOYSA-N",392984,NA,"PDBC20188","694226","Present",NA,NA
+"20189","3-Amino-4-chloro-2-(4-methoxyphenyl)inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-chloro-2-(4-methoxyphenyl)inden-1-one",NA,"COC1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC=C3Cl)N","CRBQWDWMELQVCD-UHFFFAOYSA-N",389551,NA,"PDBC20189","685856","Present",NA,NA
+"20190","3-Amino-4-hydroxyphenylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: zr bq e-as-qqo",NA,"C1=CC(=C(C=C1[As](=O)(O)O)N)O","UAKCHCFOPKOOLI-UHFFFAOYSA-N",16555,NA,"PDBC20190","18814","Present",NA,NA
+"20191","3-Amino-4-methoxy-2-(4-methoxyphenyl)inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-methoxy-2-(4-methoxyphenyl)inden-1-one",NA,"COC1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC=C3OC)N","HIULNSHCVWARPP-UHFFFAOYSA-N",389553,NA,"PDBC20191","685858","Present",NA,NA
+"20192","3-Amino-4-oxo-4-((1-((1-pyrrolidinylcarbonyl)amino)ethyl)amino)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-oxo-4-((1-((1-pyrrolidinylcarbonyl)amino)ethyl)amino)butanoic acid",NA,"CC(NC(=O)C(CC(=O)O)N)NC(=O)N1CCCC1","LDYORJMMAKOHET-UHFFFAOYSA-N",382300,NA,"PDBC20192","669762","Present",NA,NA
+"20193","3-Amino-4-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-phenyl-5,6,7,8-tetrahydro-thieno/2,3-b/- chino...",NA,"C1CCC2=C(C1)C(=C3C(=C(SC3=N2)C#N)N)C4=CC=CC=C4","AOSULRYHYNEFMD-UHFFFAOYSA-N",364176,NA,"PDBC20193","629876","Present",NA,NA
+"20194","3-Amino-4-{(E)-[4-(1H-benzimidazol-2-yl)phenyl]diazenyl}phen ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4-{(E)-[4-(1H-benzimidazol-2-yl)phenyl]diazenyl}...",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=NC4=C(C=C(C=C4)O)N","WKWFCUGTSWDBLA-UHFFFAOYSA-N",135585466,NA,"PDBC20194","729833","Present",NA,NA
+"20195","3-Amino-5,6-dimethoxyindan-1-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EiM17-04066",NA,"COC1=C(C=C2C(=O)CC(C2=C1)N)OC.Cl","FIQTUIHMHYURGX-UHFFFAOYSA-N",390204,NA,"PDBC20195","687362","Present",NA,NA
+"20196","3-Amino-5-(1-hydroxyethyl)-6-methyl-N-naphthalen-1-ylthieno[2,3-b]pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-5-(1-hydroxyethyl)-6-methyl-N-(naphthalen-1-yl)t...",NA,"CC1=C(C=C2C(=C(SC2=N1)C(=O)NC3=CC=CC4=CC=CC=C43)N)C(C)O","HJIVXEPWICGVQX-UHFFFAOYSA-N",155817181,NA,"PDBC20196","796020","Present",NA,NA
+"20197","3-Amino-5-[(Z)-1-cyano-2-(3,4-dihydroxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-5-[(Z)-1-cyano-2-(3,4-dihydroxyphenyl)ethenyl]-1-phenylpyrazole-4-carbonitrile",NA,"C1=CC=C(C=C1)N2C(=C(C(=N2)N)C#N)C(=CC3=CC(=C(C=C3)O)O)C#N","BAEMHYCNOSHCIL-MDWZMJQESA-N",135499353,NA,"PDBC20197","654710","Present",NA,NA
+"20198","3-Amino-5-hydroxy-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-5-hydroxy-N-(3-methoxyphenyl)-5,6,7,8-tetrahydro...",NA,"COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC4=C(CCCC4O)N=C3S2)N","LANUSCYLTYLKDE-UHFFFAOYSA-N",155809666,NA,"PDBC20198","771538","Present",NA,NA
+"20199","3-Amino-5-hydroxy-N-(3-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-5-hydroxy-N-(3-nitrophenyl)-5,6,7,8-tetrahydroth...",NA,"C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])N)O","DTQJTJUYFHDKIG-UHFFFAOYSA-N",155809691,NA,"PDBC20199","772488","Present",NA,NA
+"20200","3-Amino-5-hydroxy-N-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-5-hydroxy-N-(3-(trifluoromethyl)phenyl)-5,6,7,8-...",NA,"C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)N)O","ZAHZOLUOYBPQNZ-UHFFFAOYSA-N",155816145,NA,"PDBC20200","772489","Present",NA,NA
+"20201","3-Amino-5-hydroxy-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-5-hydroxy-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-...",NA,"C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC=CC=C4)N)O","QEJZRMIQWUHIHH-UHFFFAOYSA-N",155805194,NA,"PDBC20201","771536","Present",NA,NA
+"20202","3-Amino-5-methoxy-2-(2-methoxyphenyl)inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-5-methoxy-2-(2-methoxyphenyl)inden-1-one",NA,"COC1=CC2=C(C=C1)C(=O)C(=C2N)C3=CC=CC=C3OC","ZIYQVSVUBYMUKW-UHFFFAOYSA-N",389554,NA,"PDBC20202","685859","Present",NA,NA
+"20203","3-Amino-5-methoxy-2-(4-methoxyphenyl)inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SSXNAVNUUDFWTL-UHFFFAOYSA-N",NA,"COC1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC(=C3)OC)N","SSXNAVNUUDFWTL-UHFFFAOYSA-N",389548,NA,"PDBC20203","685853","Present",NA,NA
+"20204","3-Amino-5-methoxy-2-phenyl-1H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-5-methoxy-2-phenyl-1H-inden-1-one",NA,"COC1=CC2=C(C=C1)C(=O)C(=C2N)C3=CC=CC=C3","BFQAOGRMEXZIBH-UHFFFAOYSA-N",389550,NA,"PDBC20204","685855","Present",NA,NA
+"20205","3-Amino-5-methoxyindan-1-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT013530",NA,"COC1=CC2=C(C=C1)C(=O)CC2N.Cl","NLVNWEQSTNQMES-UHFFFAOYSA-N",390200,NA,"PDBC20205","687360","Present",NA,NA
+"20206","3-Amino-5-methyl-1H-pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE16004",NA,"CC1=C(C(=NN1)N)C(=O)N","KUFZNKPEPZZPRQ-UHFFFAOYSA-N",358965,NA,"PDBC20206","619158","Present",NA,NA
+"20207","3-Amino-5-methyl-2-cyclopentene-1,1,2-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSRZKCWTDDZJCU-UHFFFAOYSA-N",NA,"CC1CC(=C(C1(C#N)C#N)C#N)N","NSRZKCWTDDZJCU-UHFFFAOYSA-N",387752,NA,"PDBC20207","681781","Present",NA,NA
+"20208","3-Amino-5-oxo-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-5-oxo-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]qu...",NA,"C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=C4)N)C(=O)C1","MCEWLOUNHWLKKQ-UHFFFAOYSA-N",3334329,NA,"PDBC20208","754670","Present",NA,NA
+"20209","3-Amino-5-oxo-N-pyridin-2-yl-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-5-oxo-N-(pyridin-2-yl)-5,6,7,8-tetrahydrothieno[...",NA,"C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=N4)N)C(=O)C1","KBAJDJHKIOBAHC-UHFFFAOYSA-N",155813416,NA,"PDBC20209","796026","Present",NA,NA
+"20210","3-Amino-5-{5-[4-(benzo[d]oxazol-2-yl)phenyl]furan-2-yl}-4,5-dihydro-1H-pyrazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-5-{5-[4-(benzo[d]oxazol-2-yl)phenyl]furan-2-yl}-...",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(O4)C5C(C(=NN5)N)C#N","YYAUCBMWLFUFCC-UHFFFAOYSA-N",24203859,NA,"PDBC20210","729801","Present",NA,NA
+"20211","3-Amino-6,7-dimethyl-1H-pyrazolo[3,4-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-1H-pyrazolo[3,4-b]quinoxalin-3-amine",NA,"CC1=CC2=NC3=C(NN=C3N=C2C=C1C)N","BMQPRCMBRYZQBH-UHFFFAOYSA-N",439016,NA,"PDBC20211","697713","Present",NA,NA
+"20212","3-Amino-6,8-dibromo-2-(2-chloroethyl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-6,8-dibromo-2-(2-chloroethyl)quinazolin-4(3H)-one",NA,"C1=C(C=C(C2=C1C(=O)N(C(=N2)CCCl)N)Br)Br","CGGYRJKBRGHUEX-UHFFFAOYSA-N",369098,NA,"PDBC20212","640655","Present",NA,NA
+"20213","3-Amino-6-(3-Chloropropyl)-5,9-methylenedioxy-5, 11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-6-(3-Chloropropyl)-5,6-dihydro-8,9-methylenediox...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)N)C(=O)N4CCCCl.Cl","OQSWATNASGVYPS-UHFFFAOYSA-N",45027877,NA,"PDBC20213","730453","Present",NA,NA
+"20214","3-Amino-6-(3-azidopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-6-(3-azidopropyl)-5,6-dihydro-9-methoxy-5,11-dio...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)N)C(=O)N3CCCN=[N+]=[N-]","VCWAKEUZXYMMLL-UHFFFAOYSA-N",45028369,NA,"PDBC20214","742345","Present",NA,NA
+"20215","3-Amino-6-(3-chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-6-(3-chloropropyl)-5,6-dihydro-9-methoxy-5,11-di...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)N)C(=O)N3CCCCl","ULOUSILASNUWAJ-UHFFFAOYSA-N",45028325,NA,"PDBC20215","742222","Present",NA,NA
+"20216","3-Amino-6-(4-methoxyphenyl)-1H-pyrano[4,3-c]pyrazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-6-(4-methoxyphenyl)-1H-pyrano[4,3-c]pyrazol-4-one",NA,"COC1=CC=C(C=C1)C2=CC3=C(C(=NN3)N)C(=O)O2","SJXMDWZRFYWIAD-UHFFFAOYSA-N",360620,NA,"PDBC20216","622925","Present",NA,NA
+"20217","3-Amino-6-benzyl-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-6-benzyl-N-mesityl-5,6,7,8-tetrahydrothieno[2,3-...",NA,"CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N)C","DWFYCGQYBTWPIY-UHFFFAOYSA-N",20866560,NA,"PDBC20217","777082","Present",NA,NA
+"20218","3-Amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-6-benzyl-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrot...",NA,"COC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N","PMAJJWRGHROGIS-UHFFFAOYSA-N",20866562,NA,"PDBC20218","777084","Present",NA,NA
+"20219","3-Amino-6-benzyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-6-benzyl-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b...",NA,"C1CN(CC2=CC3=C(N=C21)SC(=C3N)C(=O)NC4=CC=CC=C4)CC5=CC=CC=C5","OPZZLGCMFRQZFT-UHFFFAOYSA-N",16008955,NA,"PDBC20219","777081","Present",NA,NA
+"20220","3-Amino-6-bromo-2-phenylquinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AX8285269",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=O)N2N","CMTNMFFMRLGVCZ-UHFFFAOYSA-N",363481,NA,"PDBC20220","628405","Present",NA,NA
+"20221","3-Amino-6-chloro-1-(2-diethylamino-ethyl)-1H-pyrazolo[3,4-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-6-chloro-1-(2-diethylamino-ethyl)-1H-pyrazolo[3,4-b]quinoxaline",NA,"CCN(CC)CCN1C2=NC3=C(C=C(C=C3)Cl)N=C2C(=N1)N","DVFBARQYSUHULQ-UHFFFAOYSA-N",394341,NA,"PDBC20221","697710","Present",NA,NA
+"20222","3-Amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-6-ethyl-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothi...",NA,"CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4F)N","INENRHICQOWBEB-UHFFFAOYSA-N",3418824,NA,"PDBC20222","775446","Present",NA,NA
+"20223","3-Amino-6-ethyl-N-(2-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-6-ethyl-N-(2-methylphenyl)-5,6,7,8-tetrahydrothi...",NA,"CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4C)N","VEVMVTMLUHCHNL-UHFFFAOYSA-N",3839343,NA,"PDBC20223","775443","Present",NA,NA
+"20224","3-Amino-6-ethyl-N-(3-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-6-ethyl-N-(3-fluorophenyl)-5,6,7,8-tetrahydrothi...",NA,"CCC1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC(=CC=C4)F)N","LHGDXCUEBWDEAR-UHFFFAOYSA-N",3643905,NA,"PDBC20224","775444","Present",NA,NA
+"20225","3-Amino-6-methyl-1H-pyrazolo[3,4-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-1H-pyrazolo[3,4-b]quinoxalin-3-amine",NA,"CC1=CC2=NC3=C(NN=C3N=C2C=C1)N","HNLVMVSIOAEGCM-UHFFFAOYSA-N",395809,NA,"PDBC20225","700697","Present",NA,NA
+"20226","3-Amino-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahydrothieno[...",NA,"CN1CCC2=C(C1)C(=C3C(=C(SC3=N2)C(=O)N)N)C4=CC=CS4","NDFHQKZWHBNNLB-UHFFFAOYSA-N",912945,NA,"PDBC20226","757955","Present",NA,NA
+"20227","3-Amino-7-(2-oxo-4-phenyl-but-3-enyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-7-(2-oxo-4-phenyl-but-3-enyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-one",NA,"C1=CC=C(C=C1)C=CC(=O)CC2=NC3=NN=C(N3NC2=O)N","FMTNOBRBVLZPLD-VOTSOKGWSA-N",6150565,NA,"PDBC20227","636814","Present",NA,NA
+"20228","3-Amino-7-(dimethylamino)-5-phenylphenazinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC9404///NSC9594",NA,"CN(C)C1=CC2=[N+](C3=C(C=CC(=C3)N)N=C2C=C1)C4=CC=CC=C4.[Cl-]","SQHWUYVHKRVCMD-UHFFFAOYSA-N",75442,NA,"PDBC20228","9404///9594","Present",NA,NA
+"20229","3-Amino-7-chloro-1,2,4-benzotriazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-38589",NA,"C1=CC2=C(C=C1Cl)N=NC(=N2)N","KTIMFFFWQOYBMI-UHFFFAOYSA-N",95001,NA,"PDBC20229","13204","Present",NA,NA
+"20230","3-Amino-7-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-7-ethoxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide",NA,"CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C(=O)N)N)[O-]","WZMNIKGLUSBFFK-UHFFFAOYSA-N",135483420,NA,"PDBC20230","621732","Present",NA,NA
+"20231","3-Amino-7-fluoro-1,4-dioxy-quinoxaline-carboximidic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-7-fluoro-1,4-dioxy-quinoxaline-carboximidic acid...",NA,"COC(=N)C1=[N+](C2=C(C=CC(=C2)F)[N+](=C1N)[O-])[O-]","LWARFBQIQPMWLS-UHFFFAOYSA-N",135958391,NA,"PDBC20231","741435","Present",NA,NA
+"20232","3-Amino-7-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-7-methoxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C(=O)N)N)[O-]","VXEFTPKXADMTCX-UHFFFAOYSA-N",135416164,NA,"PDBC20232","621737","Present",NA,NA
+"20233","3-Amino-7-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-7-methoxy-3,4-dihydro-2H-naphthalen-1-one;hydrochloride",NA,"COC1=CC2=C(CC(CC2=O)N)C=C1.Cl","VEEABGAKHFEFAZ-UHFFFAOYSA-N",356130,NA,"PDBC20233","611222","Present",NA,NA
+"20234","3-Amino-8,9-dihydro-5H-pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Amino-5-thia-2,7,13-triazatricyclo[7.4.0.02,6]trideca-1(9),6,10,12-tetraen-8-one",NA,"C1CSC2=NC(=O)C3=C(N21)N=CC(=C3)N","WJLRRHKYOBHSGV-UHFFFAOYSA-N",389371,NA,"PDBC20234","685417","Present",NA,NA
+"20235","3-Amino-8-methyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-8-methyl-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydro-1H-isochromene-4-carbonitrile",NA,"CC1CCCC2=C1C(OC(=C2C#N)N)C3=CC(=C(C(=C3)OC)OC)OC","SUVJNRIDMSOZQY-UHFFFAOYSA-N",391510,NA,"PDBC20235","690758","Present",NA,NA
+"20236","3-Amino-N-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(2,3-dichlorophenyl)-5-oxo-5,6,7,8-tetrahydrot...",NA,"C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=C(C(=CC=C4)Cl)Cl)N)C(=O)C1","UNNJYEOXRMZAJU-UHFFFAOYSA-N",4905445,NA,"PDBC20236","772496","Present",NA,NA
+"20237","3-Amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-E]pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(2,3-dimethylphenyl)-6,7-dihydro-5H-cyclopenta...",NA,"CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCC4=C3)N)C","FGFIVSXFFWDIPQ-UHFFFAOYSA-N",612420,NA,"PDBC20237","775440","Present",NA,NA
+"20238","3-Amino-N-(2,6-difluorophenyl)-1H-indazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(2,6-difluorophenyl)-1H-indazole-1-carboxamide",NA,"C1=CC=C2C(=C1)C(=NN2C(=O)NC3=C(C=CC=C3F)F)N","CWARILVGRFFNPY-UHFFFAOYSA-N",25197650,NA,"PDBC20238","742802","Present",NA,NA
+"20239","3-Amino-N-(2-chlorophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(2-chlorophenyl)-5,6,7,8,9,10-hexahydrocyclooc...",NA,"C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=C4Cl)N","LOCUPUCGSDKJSM-UHFFFAOYSA-N",1025279,NA,"PDBC20239","778317","Present",NA,NA
+"20240","3-Amino-N-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(2-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothien...",NA,"C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=C4Cl)N)C(=O)C1","RQVKPYOGSVGSSP-UHFFFAOYSA-N",4908054,NA,"PDBC20240","771558","Present",NA,NA
+"20241","3-Amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahy...",NA,"CCC1=CC=CC(=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N)C","QLZOUXUYHFYOID-UHFFFAOYSA-N",2015058,NA,"PDBC20241","772494","Present",NA,NA
+"20242","3-Amino-N-(2-ethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(2-ethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno...",NA,"CCC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","YYSHBWVNTGSRGY-UHFFFAOYSA-N",1388734,NA,"PDBC20242","772491","Present",NA,NA
+"20243","3-Amino-N-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(2-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothien...",NA,"C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC=C4F)N)C(=O)C1","YHFDPEYHDOTAOT-UHFFFAOYSA-N",1856915,NA,"PDBC20243","754567","Present",NA,NA
+"20244","3-Amino-N-(2-hydroxyphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-N-(2-hydroxyphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide",NA,"C1=CC=C(C(=C1)NC(=O)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-])O","AOZCEPCCUXLMSO-UHFFFAOYSA-N",135503395,NA,"PDBC20244","621739","Present",NA,NA
+"20245","3-Amino-N-(2-methoxyphenyl)-1H-indazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(2-methoxyphenyl)-1H-indazole-1-carboxamide",NA,"COC1=CC=CC=C1NC(=O)N2C3=CC=CC=C3C(=N2)N","XSOXUCHMMGFZBD-UHFFFAOYSA-N",25197780,NA,"PDBC20245","742803","Present",NA,NA
+"20246","3-Amino-N-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(2-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothie...",NA,"COC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","ZPSSDAWROKAQLF-UHFFFAOYSA-N",4900454,NA,"PDBC20246","771556","Present",NA,NA
+"20247","3-Amino-N-(2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-5-oxo-N-o-tolyl-5,6,7,8-tetrahydrothieno[2,3-b]q...",NA,"CC1=CC=CC=C1NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","ZNLXWJRSDSUTLW-UHFFFAOYSA-N",1387507,NA,"PDBC20247","754666","Present",NA,NA
+"20248","3-Amino-N-(3,4-dimethoxyphenyl)-1H-indazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3,4-dimethoxyphenyl)-1H-indazole-1-carboxamide",NA,"COC1=C(C=C(C=C1)NC(=O)N2C3=CC=CC=C3C(=N2)N)OC","NOJNFWLYVSIILI-UHFFFAOYSA-N",25197779,NA,"PDBC20248","742800","Present",NA,NA
+"20249","3-Amino-N-(3,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3,4-dimethylphenyl)-5-oxo-5,6,7,8-tetrahydrot...",NA,"CC1=C(C=C(C=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N)C","DDPBRBGWSNFVGT-UHFFFAOYSA-N",1386900,NA,"PDBC20249","772490","Present",NA,NA
+"20250","3-Amino-N-(3-((3-amino-3-(4-chlorophenyl)-3-cyano-2-oxopropanoyl)amino)propyl)-3-(4-chlorophenyl)-3-cyano-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-N-[3-[[3-amino-3-(4-chlorophenyl)-3-cyano-2-oxopropanoyl]amino]propyl]-3-(4-chlorophenyl)-3-cyano-2-oxopropanamide",NA,"C1=CC(=CC=C1C(C#N)(C(=O)C(=O)NCCCNC(=O)C(=O)C(C#N)(C2=CC=C(C=C2)Cl)N)N)Cl","MQNMOIYQMQCKIB-UHFFFAOYSA-N",364266,NA,"PDBC20250","630283","Present",NA,NA
+"20251","3-Amino-N-(3-bromophenyl)-5-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-bromophenyl)-5-hydroxy-5,6,7,8-tetrahydroth...",NA,"C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC(=CC=C4)Br)N)O","USMHMXPEIAGYKS-UHFFFAOYSA-N",155808355,NA,"PDBC20251","771539","Present",NA,NA
+"20252","3-Amino-N-(3-bromophenyl)-5-oxo-7,8-dihydro-6H-thieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-bromophenyl)-5-oxo-5,6,7,8-tetrahydrothieno...",NA,"C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)Br)N)C(=O)C1","BFWHJXLXKCELIV-UHFFFAOYSA-N",155805166,NA,"PDBC20252","768314","Present",NA,NA
+"20253","3-Amino-N-(3-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrah...",NA,"CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","PEPLRSOXCXBORF-UHFFFAOYSA-N",1387536,NA,"PDBC20253","771546","Present",NA,NA
+"20254","3-Amino-N-(3-chlorophenyl)-5-hydroxy-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-chlorophenyl)-5-hydroxy-5,6,7,8-tetrahydrot...",NA,"C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC(=CC=C4)Cl)N)O","XDYCDNPPPXLKCG-UHFFFAOYSA-N",155809667,NA,"PDBC20254","771540","Present",NA,NA
+"20255","3-Amino-N-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-chlorophenyl)-5-oxo-5,6,7,8-tetrahydrothien...",NA,"C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)Cl)N)C(=O)C1","OAIMKAKOSPTFCI-UHFFFAOYSA-N",1420685,NA,"PDBC20255","753802","Present",NA,NA
+"20256","3-Amino-N-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-fluorophenyl)-5-oxo-5,6,7,8-tetrahydrothien...",NA,"C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC(=CC=C4)F)N)C(=O)C1","BFMAPEOBBINCDN-UHFFFAOYSA-N",4906437,NA,"PDBC20256","771557","Present",NA,NA
+"20257","3-Amino-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-methoxyphenyl)-5,6,7,8-tetrahydrothieno[2,3...",NA,"COC1=CC=CC(=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N","HXVWIBODSFOSOQ-UHFFFAOYSA-N",1516711,NA,"PDBC20257","775445","Present",NA,NA
+"20258","3-Amino-N-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-methoxyphenyl)-5-oxo-5,6,7,8-tetrahydrothie...",NA,"COC1=CC=CC(=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","PGOHPPFOMMRETJ-UHFFFAOYSA-N",2250489,NA,"PDBC20258","768313","Present",NA,NA
+"20259","3-Amino-N-(3-methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-N-(3-methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide",NA,"CC1=CC(=CC=C1)NC(=O)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-]","NLEQCRZGKBFLBU-UHFFFAOYSA-N",135479016,NA,"PDBC20259","621728","Present",NA,NA
+"20260","3-Amino-N-(3-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-...",NA,"CC1=CC(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N","DZRJLYMKRRRLBH-UHFFFAOYSA-N",839019,NA,"PDBC20260","775437","Present",NA,NA
+"20261","3-Amino-N-(3-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-5-oxo-N-(m-tolyl)-5,6,7,8-tetrahydrothieno[2,3-b...",NA,"CC1=CC(=CC=C1)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","YKZYPHQCTSQYGI-UHFFFAOYSA-N",1322520,NA,"PDBC20261","777085","Present",NA,NA
+"20262","3-Amino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(4-benzylphenyl)-1H-indazole-1-carboxamide",NA,"C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)N3C4=CC=CC=C4C(=N3)N","UVRJXHGTVBSXBO-UHFFFAOYSA-N",25197651,NA,"PDBC20262","742799","Present",NA,NA
+"20263","3-Amino-N-(4-benzylphenyl)-5-chloro-1H-indazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(4-benzylphenyl)-5-chloro-1H-indazole-1-carbox...",NA,"C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)N3C4=C(C=C(C=C4)Cl)C(=N3)N","BXYYLMAKXXHANI-UHFFFAOYSA-N",51033073,NA,"PDBC20263","749550","Present",NA,NA
+"20264","3-Amino-N-(4-butoxyphenyl)-1H-indazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(4-butoxyphenyl)-1H-indazole-1-carboxamide",NA,"CCCCOC1=CC=C(C=C1)NC(=O)N2C3=CC=CC=C3C(=N2)N","WHIJZCACRXMLAI-UHFFFAOYSA-N",25199443,NA,"PDBC20264","742801","Present",NA,NA
+"20265","3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-piperidinyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-piperidinyl)acrylamide",NA,"C1CCN(CC1)C(=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)N","ISJDAXNCNSGYCT-BUHFOSPRSA-N",3005445,NA,"PDBC20265","700471","Present",NA,NA
+"20266","3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-pyrrolidinyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-N-(4-chlorophenyl)-2-cyano-3-(1-pyrrolidinyl)acrylamide",NA,"C1CCN(C1)C(=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)N","HFINJJFLLMJMSA-OUKQBFOZSA-N",3005444,NA,"PDBC20266","700470","Present",NA,NA
+"20267","3-Amino-N-(4-chlorophenyl)-2-cyano-3-(4-morpholinyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-N-(4-chlorophenyl)-2-cyano-3-(4-morpholinyl)acrylamide",NA,"C1COCCN1C(=C(C#N)C(=O)NC2=CC=C(C=C2)Cl)N","FGCHOBQXCBPWRH-OUKQBFOZSA-N",3005446,NA,"PDBC20267","700472","Present",NA,NA
+"20268","3-Amino-N-(4-chlorophenyl)-3-phenyliminopropanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-N-(4-chlorophenyl)-3-phenyliminopropanamide;hydrochloride",NA,"C1=CC=C(C=C1)N=C(CC(=O)NC2=CC=C(C=C2)Cl)N.Cl","AHUJHWULOVOOFN-UHFFFAOYSA-N",359778,NA,"PDBC20268","621345","Present",NA,NA
+"20269","3-Amino-N-(4-phenoxyphenyl)-5-phenyl-1H-pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(4-phenoxyphenyl)-5-phenyl-1H-pyrazole-1-carbo...",NA,"C1=CC=C(C=C1)C2=CC(=NN2C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4)N","GFGOPRXUYPJTON-UHFFFAOYSA-N",45028421,NA,"PDBC20269","742804","Present",NA,NA
+"20270","3-Amino-N-(5-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(5-chloro-2-methylphenyl)-5-oxo-5,6,7,8-tetrah...",NA,"CC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N","LTAQQOFWFGHLAW-UHFFFAOYSA-N",1384950,NA,"PDBC20270","754664","Present",NA,NA
+"20271","3-Amino-N-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(naphthalen-1-yl)-5-oxo-5,6,7,8-tetrahydrothie...",NA,"C1CC2=C(C=C3C(=C(SC3=N2)C(=O)NC4=CC=CC5=CC=CC=C54)N)C(=O)C1","KJFWGPLKTISRPF-UHFFFAOYSA-N",1420003,NA,"PDBC20271","771550","Present",NA,NA
+"20272","3-Amino-N-[3-(trifluoromethyl)phenyl]-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-(trifluoromethyl)phenyl)-5,6,7,8,9,10-hexah...",NA,"C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC(=C4)C(F)(F)F)N","CJMQFZUZDYKTKV-UHFFFAOYSA-N",1115047,NA,"PDBC20272","778315","Present",NA,NA
+"20273","3-Amino-N-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(3-(trifluoromethyl)phenyl)-6,7,8,9-tetrahydro...",NA,"C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC(=C4)C(F)(F)F","DVEDQHNNXVVOSO-UHFFFAOYSA-N",1504874,NA,"PDBC20273","778314","Present",NA,NA
+"20274","3-Amino-N-benzyl-2-cyano-3-(1-pyrrolidinyl)-2-propenethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-N-benzyl-2-cyano-3-(1-pyrrolidinyl)-2-propenethioamide",NA,"C1CCN(C1)C(=C(C#N)C(=S)NCC2=CC=CC=C2)N","NCSZDOLYFOWYJD-BUHFOSPRSA-N",3005136,NA,"PDBC20274","675882","Present",NA,NA
+"20275","3-Amino-N-benzyl-2-cyano-3-(1-pyrrolidinyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-N-benzyl-2-cyano-3-(1-pyrrolidinyl)acrylamide",NA,"C1CCN(C1)C(=C(C#N)C(=O)NCC2=CC=CC=C2)N","KRONJQRMILXFLK-BUHFOSPRSA-N",3005135,NA,"PDBC20275","675881","Present",NA,NA
+"20276","3-Amino-N-benzyl-3-benzylimino-2-phenyldiazenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-N-benzyl-3-benzylimino-2-phenyldiazenylpropanamide",NA,"C1=CC=C(C=C1)CNC(=O)C(C(=NCC2=CC=CC=C2)N)N=NC3=CC=CC=C3","FAZOIBGUMUTFQO-UHFFFAOYSA-N",230943,NA,"PDBC20276","26383","Present",NA,NA
+"20277","3-Amino-N-mesityl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-mesityl-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]q...",NA,"CC1=CC(=C(C(=C1)C)NC(=O)C2=C(C3=CC4=C(CCCC4=O)N=C3S2)N)C","SKOSNNUKRBUZHB-UHFFFAOYSA-N",1282620,NA,"PDBC20277","754571","Present",NA,NA
+"20278","3-Amino-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-phenyl-5,6,7,8,9,10-hexahydrocycloocta[b]thien...",NA,"C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=C4)N","VHZIYMJMOLPSAC-UHFFFAOYSA-N",1230668,NA,"PDBC20278","778318","Present",NA,NA
+"20279","3-Amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-phenyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]thie...",NA,"C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC=C4","XLUWDRNECAPOQW-UHFFFAOYSA-N",680201,NA,"PDBC20279","775441","Present",NA,NA
+"20280","3-Aminoadamantane-1-carboxylic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632545",NA,"C1C2CC3(CC1CC(C2)(C3)N)C(=O)O.Cl","CMUAQGBJDDHTPE-UHFFFAOYSA-N",365220,NA,"PDBC20280","632545","Present",NA,NA
+"20281","3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Aminobicyclo[2.2.1]hept-5-ene-2-carboxylic acid;benzenesulfonic acid",NA,"C1C2C=CC1C(C2C(=O)O)N.C1=CC=C(C=C1)S(=O)(=O)O","HMAACEFNTSHBSC-UHFFFAOYSA-N",224476,NA,"PDBC20281","12955","Present",NA,NA
+"20282","3-Aminobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dl-.beta.-aminobutyrate",NA,"CC(CC(=O)O)N","OQEBBZSWEGYTPG-UHFFFAOYSA-N",10932,NA,"PDBC20282","77380","Present",NA,NA
+"20283","3-Aminochroman-2-one Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-aminochroman-2-one, hydrochloride",NA,"C1C(C(=O)OC2=CC=CC=C21)N.Cl","VRQWZBPIHNKMJN-UHFFFAOYSA-N",381456,NA,"PDBC20283","668044","Present",NA,NA
+"20284","3-Aminoindan-1-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4741AD",NA,"C1C(C2=CC=CC=C2C1=O)N.Cl","XPLMUHLYLOBJST-UHFFFAOYSA-N",390198,NA,"PDBC20284","687359","Present",NA,NA
+"20285","3-Aminonaphthalene-1,2-diol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Aminonaphthalene-1,2-diol;hydrochloride",NA,"C1=CC=C2C(=C1)C=C(C(=C2O)O)N.Cl","CHNVNDJGAPCWSN-UHFFFAOYSA-N",24201256,NA,"PDBC20285","407254","Present",NA,NA
+"20286","3-Aminopropylisothiourea dihydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"apt (radioprotective)",NA,"C(CN)CSC(=N)N.Br","FPWVLBKDRAMCGF-UHFFFAOYSA-N",54605684,NA,"PDBC20286","62857","Present",NA,NA
+"20287","3-Aminospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Aminospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-5-one",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)N","FEQHEPXYLOHQPX-UHFFFAOYSA-N",135409125,NA,"PDBC20287","658716","Present",NA,NA
+"20288","3-Aminothiazolo[3,2-a]benzimidazole-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Aminothiazolo[3,2-a]benzimidazole-2-carbonitrile",NA,"C1=CC=C2C(=C1)N=C3N2C(=C(S3)C#N)N","JIWZWBIREBPIAB-UHFFFAOYSA-N",392241,NA,"PDBC20288","692377","Present",NA,NA
+"20289","3-Aminothiazolo[3,2-a]benzimidazole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Aminothiazolo[3,2-a]benzimidazole-2-carboxamide",NA,"C1=CC=C2C(=C1)N=C3N2C(=C(S3)C(=O)N)N","XWAXRDBWWUICLP-UHFFFAOYSA-N",392247,NA,"PDBC20289","692383","Present",NA,NA
+"20290","3-Anilino-1-methyl-6-phenyl-1H-pyridazino[4,5-e][1,3,4]thiadiazin-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Anilino-1-methyl-6-phenyl-1H-pyridazino[4,5-e][1,3,4]thiadiazin-5(6H)-one",NA,"CN1C2=C(C(=O)N(N=C2)C3=CC=CC=C3)SC(=NC4=CC=CC=C4)N1","XDNKQGAERQOYOF-UHFFFAOYSA-N",135408940,NA,"PDBC20290","646930","Present",NA,NA
+"20291","3-Anilino-2-(1H-benzimidazol-2-yl)-3-mercaptoacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-anilino-2-(1H-benzimidazol-2-yl)-3-sulfanyl-prop-2-enenitrile",NA,"C1=CC=C(C=C1)NC(=S)C(=C2NC3=CC=CC=C3N2)C#N","WRZWYPQVGVEXRN-UHFFFAOYSA-N",5465579,NA,"PDBC20291","655396","Present",NA,NA
+"20292","3-Anilino-3-oxopropyl((4-(benzoylamino)phenyl)sulfonyl)carbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Anilino-3-oxo-propyl)-(4-benzamidophenyl)sulfonyl-carbamic acid",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CCC(=O)NC3=CC=CC=C3)C(=O)O","AFOJOMMPMXEFEY-UHFFFAOYSA-N",369702,NA,"PDBC20292","641719","Present",NA,NA
+"20293","3-Anilino-4-phenyl-1,2,4-oxadiazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Anilino-4-phenyl-1,2,4-oxadiazol-5-one",NA,"C1=CC=C(C=C1)NC2=NOC(=O)N2C3=CC=CC=C3","QPXGYDFOMJKJGU-UHFFFAOYSA-N",390097,NA,"PDBC20293","687040","Present",NA,NA
+"20294","3-Anilino-4-phenylpyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SKF-62604",NA,"C1=CC=C(C=C1)C2=C(C(=O)NC2=O)NC3=CC=CC=C3","ACQZMAJVOPRMQJ-UHFFFAOYSA-N",6539451,NA,"PDBC20294","756495","Present",NA,NA
+"20295","3-Anilino-8-chloro-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-chloro-7-cyano-3-phenylamino-1,2,4-triazolo[4,3-b][1,4...",NA,"C1=CC=C(C=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C#N)Cl","YNBBKSNKYBJFFX-UHFFFAOYSA-N",405673,NA,"PDBC20295","723130","Present",NA,NA
+"20296","3-Anilino-9,9-dimethyl-1-oxo-2-phenyl-7a,10-dihydrofuro[3,2-e]quinazoline-6,7-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Anilino-9,9-dimethyl-1-oxo-2-phenyl-7a,10-dihydrofuro[3,2-e]quinazoline-6,7-dicarbonitrile",NA,"CC1(CC23C(O1)C(=C(C=C2NC(=NC4=CC=CC=C4)N(C3=O)C5=CC=CC=C5)C#N)C#N)C","GVMCFABUMAZWFR-UHFFFAOYSA-N",135464944,NA,"PDBC20296","633121","Present",NA,NA
+"20297","3-Aza-A-homoandrost-4a-en-4-one, (17-beta)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Aza-A-homoandrost-4a-en-4-one, 17-[[[4-[bis(2-chloroet...",NA,"CC12CCC3C(C1CCC2OC(=O)COC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=CC(=O)NCCC35C","DXVAGWWNINMAJN-KOMJKGKSSA-N",359499,NA,"PDBC20297","620480","Present",NA,NA
+"20298","3-Azabicyclo[3.2.1]oct-6-en-2-one, 3-hydroxy-4-(4-hydroxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azabicyclo[3.2.1]oct-6-en-2-one, 3-hydroxy-4-(4-hydroxyphenyl)-",NA,"C1C2C=CC1C(=O)N(C2C3=CC=C(C=C3)O)O","QHPDAADDDYJCJJ-UHFFFAOYSA-N",367125,NA,"PDBC20298","636512","Present",NA,NA
+"20299","3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-thiazolyl)ethylidene]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(2-thia...",NA,"CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=NC=CS3","OHHANFDQXBLKIW-MHWRWJLKSA-N",5464850,NA,"PDBC20299","354670","Present",NA,NA
+"20300","3-Azabicyclo[3.2.2]nonane-3-carbothioic acid, [1-(6-methyl-2-pyridinyl)ethylidene]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azabicyclo[3.2.1]nonane-3-carbothioic acid, [1-(6-meth...",NA,"CC1=NC(=CC=C1)C(=NNC(=S)N2CC3CCC(C2)CC3)C","VJEYGFIUNKNUPI-CPNJWEJPSA-N",5464837,NA,"PDBC20300","335789","Present",NA,NA
+"20301","3-Azeridinylwithaferin-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WITHAFERIN A, AZERIDINYL-",NA,"CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=C(C6O)N7CC7)C)O5)C)CO","NIXMTMDOMRNYIH-UHFFFAOYSA-N",433929,NA,"PDBC20301","339665","Present",NA,NA
+"20302","3-Azido-1-ethyl-3-phenyl-quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT026535",NA,"CCN1C2=CC=CC=C2C(=O)C(C1=O)(C3=CC=CC=C3)N=[N+]=[N-]","PEWYDORJMJTUMM-UHFFFAOYSA-N",374153,NA,"PDBC20302","651610","Present",NA,NA
+"20303","3-Azido-1-methyl-3-nonyl-quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-azido-1-methyl-3-nonyl-quinoline-2,4-dione",NA,"CCCCCCCCCC1(C(=O)C2=CC=CC=C2N(C1=O)C)N=[N+]=[N-]","SRQHACORXOESPB-UHFFFAOYSA-N",381893,NA,"PDBC20303","669153","Present",NA,NA
+"20304","3-Azido-10-(4-chlorobutyl)phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azido-10-(4-chlorobutyl)phenothiazine",NA,"C1=CC=C2C(=C1)N(C3=C(S2)C=C(C=C3)N=[N+]=[N-])CCCCCl","SRQHPBCNYJVVDM-UHFFFAOYSA-N",385371,NA,"PDBC20304","676521","Present",NA,NA
+"20305","3-Azido-3-benzyl-1H-quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azido-3-benzyl-1H-quinoline-2,4-dione",NA,"C1=CC=C(C=C1)CC2(C(=O)C3=CC=CC=C3NC2=O)N=[N+]=[N-]","MONWJSWEYRPIFC-UHFFFAOYSA-N",374154,NA,"PDBC20305","651611","Present",NA,NA
+"20306","3-Azido-3-benzyl-7-methyl-1H-1,8-naphthyridine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azido-3-benzyl-7-methyl-1H-1,8-naphthyridine-2,4-dione",NA,"CC1=NC2=C(C=C1)C(=O)C(C(=O)N2)(CC3=CC=CC=C3)N=[N+]=[N-]","ZWKJGWRGUGNOSE-UHFFFAOYSA-N",376991,NA,"PDBC20306","658212","Present",NA,NA
+"20307","3-Azido-3-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azido-3-butyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene-2,4-dione",NA,"CCCCC1(C(=O)C2=CC=CC3=C2N(C1=O)CCC3)N=[N+]=[N-]","KVSUIQWDNDCEMW-UHFFFAOYSA-N",376999,NA,"PDBC20307","658217","Present",NA,NA
+"20308","3-Azido-3-ethyl-1-phenyl-quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azido-3-ethyl-1-phenyl-quinoline-2,4-dione",NA,"CCC1(C(=O)C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)N=[N+]=[N-]","NULQFSCZJRUBSW-UHFFFAOYSA-N",374156,NA,"PDBC20308","651613","Present",NA,NA
+"20309","3-Azido-3-ethyl-7-methyl-1H-quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azido-3-ethyl-7-methyl-1H-quinoline-2,4-dione",NA,"CCC1(C(=O)C2=C(C=C(C=C2)C)NC1=O)N=[N+]=[N-]","GPVUBNJBWIMRFQ-UHFFFAOYSA-N",374157,NA,"PDBC20309","651614","Present",NA,NA
+"20310","3-Azido-3-heptyl-1-methyl-1H-quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azido-3-heptyl-1-methyl-1H-quinoline-2,4-dione",NA,"CCCCCCCC1(C(=O)C2=CC=CC=C2N(C1=O)C)N=[N+]=[N-]","DAEWNOXENTWUSZ-UHFFFAOYSA-N",377000,NA,"PDBC20310","658218","Present",NA,NA
+"20311","3-Azido-3-n-heptyl-quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-azido-3-n-heptyl-quinoline-2,4-dione",NA,"CCCCCCCC1(C(=O)C2=CC=CC=C2NC1=O)N=[N+]=[N-]","YQZHNRZCEVUYJZ-UHFFFAOYSA-N",381906,NA,"PDBC20311","669161","Present",NA,NA
+"20312","3-Azido-3-phenyl-quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-azido-3-phenyl-quinoline-2,4-dione",NA,"C1=CC=C(C=C1)C2(C(=O)C3=CC=CC=C3NC2=O)N=[N+]=[N-]","XBRXNUUKKLJTET-UHFFFAOYSA-N",381888,NA,"PDBC20312","669150","Present",NA,NA
+"20313","3-Azido-7-methyl-3-phenyl-1H-quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azido-7-methyl-3-phenyl-1H-quinoline-2,4-dione",NA,"CC1=CC2=C(C=C1)C(=O)C(C(=O)N2)(C3=CC=CC=C3)N=[N+]=[N-]","RYJIXOVRQQHKDY-UHFFFAOYSA-N",374159,NA,"PDBC20313","651616","Present",NA,NA
+"20314","3-Azidopropyl 2-diazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Azidopropoxy)-2-diazonioethenolate",NA,"C(CN=[N+]=[N-])COC(=O)C=[N+]=[N-]","APNJBFSFTDQQJI-UHFFFAOYSA-N",386736,NA,"PDBC20314","679280","Present",NA,NA
+"20315","3-Benzhydryl-2,4-dioxo-N,4-diphenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzhydryl-2,4-dioxo-N,4-diphenylbutanamide",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)C(C(=O)C3=CC=CC=C3)C(=O)C(=O)NC4=CC=CC=C4","MLJOJVCXWMNGEA-UHFFFAOYSA-N",377311,NA,"PDBC20315","658711","Present",NA,NA
+"20316","3-Benzhydryloxy-1,2-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzhydryloxy-1,2-benzoxazole",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)OC3=NOC4=CC=CC=C43","VVGHWYZJPQSFAR-UHFFFAOYSA-N",399396,NA,"PDBC20316","710117","Present",NA,NA
+"20317","3-Benzhydrylpyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzhydrylpyridine",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CN=CC=C3","HGVLJGHVYCBNBB-UHFFFAOYSA-N",77251,NA,"PDBC20317","60654","Present",NA,NA
+"20318","3-Benzo(b)thiophene-3-yl-1-(3-methyl-1,4-dioxy-quinoxaline-2-yl)-propenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzo(b)thiophene-3-yl-1-(3-methyl-1,4-dioxy-quinoxali...",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CSC4=CC=CC=C43","NMTCFBUCFCRXMU-ZHACJKMWSA-N",54613308,NA,"PDBC20318","751153","Present",NA,NA
+"20319","3-Benzo[1,3]dioxol-5-yl-5-(3,4,5-trimethoxy-phenyl)-4,5-dihydropyrazole-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzo[1,3]dioxol-5-yl-5-(3,4,5-trimethoxy-phenyl)-4,5-...",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C=O)C3=CC4=C(C=C3)OCO4","XYKRNAKYHAEBFG-UHFFFAOYSA-N",54589644,NA,"PDBC20319","754197","Present",NA,NA
+"20320","3-Benzothiazol-2-yl-N-(3-chloro-phenyl)-2-oxo-propionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzothiazol-2-yl-N-(3-chloro-phenyl)-2-oxo-propionamide",NA,"C1=CC=C2C(=C1)N=C(S2)CC(=O)C(=O)NC3=CC(=CC=C3)Cl","LHHWGVDPVBQMPG-UHFFFAOYSA-N",360997,NA,"PDBC20320","623729","Present",NA,NA
+"20321","3-Benzoyl-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzoyl-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5-hex-1-ynyl-6-iodopyrimidine-2,4-dione",NA,"CCCCC#CC1=C(N(C(=O)N(C1=O)C(=O)C2=CC=CC=C2)C3C4C(C(O3)CO[Si](C)(C)C(C)(C)C)OC(O4)(C)C)I","JQISCAKENDJARC-UHFFFAOYSA-N",45028654,NA,"PDBC20321","743562","Present",NA,NA
+"20322","3-Benzoyl-1-ethyl-4-hydroxy-1-methyl-4-phenylpiperidinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzoyl-1-ethyl-4-hydroxy-1-methyl-4-phenylpiperidinium bromide",NA,"CC[N+]1(CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O)C.[Br-]","WAOGMMNROBKUHL-UHFFFAOYSA-M",370031,NA,"PDBC20322","642596","Present",NA,NA
+"20323","3-Benzoyl-1-methyl-2(1H)-pyridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzoyl-1-methyl-2(1H)-pyridinone",NA,"CN1C=CC=C(C1=O)C(=O)C2=CC=CC=C2","BLBVLATWMLCMJO-UHFFFAOYSA-N",370865,NA,"PDBC20323","644598","Present",NA,NA
+"20324","3-Benzoyl-2-dimethylaminomethylindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{2-[(Dimethylamino)methyl]-1H-indol-3-yl}(phenyl)methanone",NA,"CN(C)CC1=C(C2=CC=CC=C2N1)C(=O)C3=CC=CC=C3","QNDPUUQUKFWSJN-UHFFFAOYSA-N",374840,NA,"PDBC20324","653266","Present",NA,NA
+"20325","3-Benzoyl-2-methylnaphtho[2,3-b]furan-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzoyl-2-methylnaphtho[2,3-b]furan-4,9-dione",NA,"CC1=C(C2=C(O1)C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4","LNYQSJFKIKAWNL-UHFFFAOYSA-N",369639,NA,"PDBC20325","641594","Present",NA,NA
+"20326","3-Benzoyl-4-(4-(benzyloxy)benzyl)-2-phenyl-1,3-oxazolidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzoyl-4-(4-(benzyloxy)benzyl)-2-phenyl-1,3-oxazolidin-5-one",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)CC3C(=O)OC(N3C(=O)C4=CC=CC=C4)C5=CC=CC=C5","PQYKHUFXGSMFST-UHFFFAOYSA-N",383832,NA,"PDBC20326","672449","Present",NA,NA
+"20327","3-Benzoyl-N-cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzoyl-N-cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide",NA,"C1CCC(CC1)NC(=S)N2CCN(C2=S)C(=O)C3=CC=CC=C3","MRCCGUKAFASEGT-UHFFFAOYSA-N",3005456,NA,"PDBC20327","704178","Present",NA,NA
+"20328","3-Benzoyloxy-1-hydroxy-2,8,9-tetrakis(methoxycarbonyl)-7-(2-methoxyphenyl)bicyclo[3.3.1]non-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzoyloxy-1-hydroxy-2,4,8,9-tetrakis(methoxycarbonyl)...",NA,"COC1=CC=CC=C1C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)OC(=O)C4=CC=CC=C4)C(=O)OC)O)C(=O)OC","LXGQVSLEWHRSNO-BNUIVUBKSA-N",24204886,NA,"PDBC20328","733340","Present",NA,NA
+"20329","3-Benzyl-1,3-dihydroindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_002827",NA,"C1=CC=C(C=C1)CC2C3=CC=CC=C3NC2=O","SJEHQYIHAFTLMS-UHFFFAOYSA-N",347328,NA,"PDBC20329","405962","Present",NA,NA
+"20330","3-Benzyl-1,3-thiazepane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-1,3-thiazepane-2,4-dione",NA,"C1CC(=O)N(C(=O)SC1)CC2=CC=CC=C2","COUXFXBRDLTIDT-UHFFFAOYSA-N",381180,NA,"PDBC20330","667511","Present",NA,NA
+"20331","3-Benzyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione",NA,"C1COCCN1CN2CN(C(=O)N(C2=O)CC3=CC=CC=C3)CN4CCOCC4","KRCUOVGDZAFMAK-UHFFFAOYSA-N",396658,NA,"PDBC20331","703172","Present",NA,NA
+"20332","3-Benzyl-2-(2,4-dinitrophenyl)sulfanyl-6-iodoquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-2-[(2,4-dinitrophenyl)sulfanyl]-6-iodoquinazolin-4(3h)-one",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","QYDRGKDTLPBIOI-UHFFFAOYSA-N",402021,NA,"PDBC20332","715716","Present",NA,NA
+"20333","3-Benzyl-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-2-[(2E)-2-[(4-bromophenyl)methylidene]hydrazinyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one",NA,"C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)CC4=CC=CC=C4)NN=CC5=CC=C(C=C5)Br","IAMNNMKIKGYANO-VULFUBBASA-N",45028588,NA,"PDBC20333","743399","Present",NA,NA
+"20334","3-Benzyl-2-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]sulfanyl-6-iodoquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-2-{[2-(3,5-dimethyl-1h-pyrazol-1-yl)-2-oxoethyl]sulfanyl}-6-iodoquinazolin-4(3h)-one",NA,"CC1=CC(=NN1C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4)C","BQSBTOIYXWZKRI-UHFFFAOYSA-N",402047,NA,"PDBC20334","715742","Present",NA,NA
+"20335","3-Benzyl-3,4-dihydro-2H-1,3-benzoxazin-6-yl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-benzyl-3,4-dihydro-2H-benzo[e][1,3]oxazin-6-yl benzoate",NA,"C1C2=C(C=CC(=C2)OC(=O)C3=CC=CC=C3)OCN1CC4=CC=CC=C4","KFRJDNFDPOCDFU-UHFFFAOYSA-N",240955,NA,"PDBC20335","47938","Present",NA,NA
+"20336","3-Benzyl-3-bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-3-bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)(CC2=CC=CC=C2)Br","VNKRQVYIGVWHOP-UHFFFAOYSA-N",375067,NA,"PDBC20336","653951","Present",NA,NA
+"20337","3-Benzyl-3-fluoro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-3-fluoro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)(CC2=CC=CC=C2)F","RHDNLDLLMFBEQQ-UHFFFAOYSA-N",383369,NA,"PDBC20337","671533","Present",NA,NA
+"20338","3-Benzyl-4-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N3C=NN=C3","YSRMNYWYFXILIV-UHFFFAOYSA-N",390155,NA,"PDBC20338","687223","Present",NA,NA
+"20339","3-Benzyl-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one",NA,"CC1=CC=C(N1N2C(=NNC2=O)CC3=CC=CC=C3)C","XTFSWROSURFSLP-UHFFFAOYSA-N",388870,NA,"PDBC20339","684063","Present",NA,NA
+"20340","3-Benzyl-4-(2-chloroethyl)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-(2-chloroethyl)-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2CCCl","OETCLSACWWAXQJ-UHFFFAOYSA-N",389501,NA,"PDBC20340","685787","Present",NA,NA
+"20341","3-Benzyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2CCO","HOJNKFWCCOLKNI-UHFFFAOYSA-N",389498,NA,"PDBC20341","685784","Present",NA,NA
+"20342","3-Benzyl-4-(3,5-diethyl-1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-(3,5-diethyl-1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one",NA,"CCC1=NN=C(N1N2C(=NNC2=O)CC3=CC=CC=C3)CC","DOXDCWQPURAPOW-UHFFFAOYSA-N",390156,NA,"PDBC20342","687224","Present",NA,NA
+"20343","3-Benzyl-4-(cyclohexylideneamino)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-4-(cyclohexylideneamino)-2h-1,2,4-triazol-3-one",NA,"C1CCC(=NN2C(=NNC2=O)CC3=CC=CC=C3)CC1","CQDUZQPQEUUEMF-UHFFFAOYSA-N",397826,NA,"PDBC20343","706416","Present",NA,NA
+"20344","3-Benzyl-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"COC1=CC(=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=CC=C3)OC","LHLZYHGLORSCDQ-XDHOZWIPSA-N",9556389,NA,"PDBC20344","702397","Present",NA,NA
+"20345","3-Benzyl-4-[(E)-(2-chlorophenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-(2-chlorophenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=CC=C3Cl","IEILFYPIEAQFDQ-WOJGMQOQSA-N",9574951,NA,"PDBC20345","681538","Present",NA,NA
+"20346","3-Benzyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=C(C=CC4=CC=CC=C43)O","HUQKTBQVXCKJGZ-FYJGNVAPSA-N",135509212,NA,"PDBC20346","681539","Present",NA,NA
+"20347","3-Benzyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=CC=C3O","GRPIWYDIKXDVSR-GZTJUZNOSA-N",135509210,NA,"PDBC20347","680861","Present",NA,NA
+"20348","3-Benzyl-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"COC1=CC=CC(=C1)C=NN2C(=NNC2=O)CC3=CC=CC=C3","OLRONPQDUJKJJR-LDADJPATSA-N",9556355,NA,"PDBC20348","698064","Present",NA,NA
+"20349","3-Benzyl-4-[(E)-(4-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-(4-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"COC1=CC=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=CC=C3","IJKHNHAEWBVUIZ-LDADJPATSA-N",9556351,NA,"PDBC20349","698060","Present",NA,NA
+"20350","3-Benzyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=C(C=C3)[N+](=O)[O-]","LUFWCKULLZCEHS-GZTJUZNOSA-N",9571941,NA,"PDBC20350","675225","Present",NA,NA
+"20351","3-Benzyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=C(O3)[N+](=O)[O-]","MOBXSSKAFOJMRE-OQLLNIDSSA-N",9556387,NA,"PDBC20351","702395","Present",NA,NA
+"20352","3-Benzyl-4-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-1,2,4-triazol-5-one",NA,"CC(=NN1C(=NNC1=O)CC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]","QWIVSHVLOHHWQT-UDWIEESQSA-N",9572171,NA,"PDBC20352","706414","Present",NA,NA
+"20353","3-Benzyl-4-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-one",NA,"CC(=NN1C(=NNC1=O)CC2=CC=CC=C2)C3=CC=CC=C3","DJVLVVWKTWOPCW-DEDYPNTBSA-N",9572169,NA,"PDBC20353","706412","Present",NA,NA
+"20354","3-Benzyl-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CNC4=CC=CC=C43","VKIIMRXVIGUGJA-UDWIEESQSA-N",135505173,NA,"PDBC20354","702401","Present",NA,NA
+"20355","3-Benzyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CN=CC=C3","RJBSVGKAVREQEO-GZTJUZNOSA-N",9571950,NA,"PDBC20355","677777","Present",NA,NA
+"20356","3-Benzyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=NC=C3","CBHXEWVBAQQUET-GZTJUZNOSA-N",9571952,NA,"PDBC20356","677779","Present",NA,NA
+"20357","3-Benzyl-4-[(E)-[4-[(E)-(3-benzyl-5-oxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-[4-[(E)-(3-benzyl-5-oxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=C(C=C3)C=NN4C(=NNC4=O)CC5=CC=CC=C5","AXUDKKLNECQURP-XUIWWLCJSA-N",54611478,NA,"PDBC20357","706419","Present",NA,NA
+"20358","3-Benzyl-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=CO3","HATJQKCDDMXVDT-XNTDXEJSSA-N",9556341,NA,"PDBC20358","698050","Present",NA,NA
+"20359","3-Benzyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,"CC1=CC=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=CC=C3","XUMDXPONOCRKLE-LDADJPATSA-N",9571524,NA,"PDBC20359","677775","Present",NA,NA
+"20360","3-Benzyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=CS3","RJEXTJSCPXBTDP-XNTDXEJSSA-N",9556345,NA,"PDBC20360","698054","Present",NA,NA
+"20361","3-Benzyl-4-cyclopentyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-cyclopentyl-1H-1,2,4-triazol-5-one",NA,"C1CCC(C1)N2C(=NNC2=O)CC3=CC=CC=C3","ARXNYDVGIDUSFJ-UHFFFAOYSA-N",385483,NA,"PDBC20361","676719","Present",NA,NA
+"20362","3-Benzyl-4-cyclopropyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-cyclopropyl-1H-1,2,4-triazol-5-one",NA,"C1CC1N2C(=NNC2=O)CC3=CC=CC=C3","WNKAAYZOEWHWND-UHFFFAOYSA-N",385482,NA,"PDBC20362","676718","Present",NA,NA
+"20363","3-Benzyl-4-hydroxy-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-hydroxy-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2O","CNVZJJQWITYKCV-UHFFFAOYSA-N",387262,NA,"PDBC20363","680858","Present",NA,NA
+"20364","3-Benzyl-4-hydroxy-1H-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_004428",NA,"C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3NC2=O)O","NVGZWGUUHGGGEY-UHFFFAOYSA-N",54680363,NA,"PDBC20364","675807","Present",NA,NA
+"20365","3-Benzyl-4-hydroxy-naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"963C-76",NA,"C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3C(=O)C2=O)O","KFSLLTMYOUXBKS-UHFFFAOYSA-N",263529,NA,"PDBC20365","98019","Present",NA,NA
+"20366","3-Benzyl-4-methyl-5,7,9,10,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,5,7,11-pentaen-11-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-4-methyl-5,7,9,10,13-pentazatricyclo[7.4.0.02,6]trideca-1,3,5,7,11-pentaen-11-ol",NA,"CC1=C(C2=C3NC=C(NN3C=NC2=N1)O)CC4=CC=CC=C4","QWDRLIRGPOBYMG-UHFFFAOYSA-N",397673,NA,"PDBC20366","706035","Present",NA,NA
+"20367","3-Benzyl-5-((3-benzyl-1H-1,2,4-triazol-5-yl)methyl)-1H-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-5-((3-benzyl-1H-1,2,4-triazol-5-yl)methyl)-1H-1,2,4-triazole",NA,"C1=CC=C(C=C1)CC2=NC(=NN2)CC3=NNC(=N3)CC4=CC=CC=C4","VTRQUFKVEFDCLS-UHFFFAOYSA-N",390146,NA,"PDBC20367","687214","Present",NA,NA
+"20368","3-Benzyl-5-butyl-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-150174",NA,"CCCCN1CN(C(=S)SC1)CC2=CC=CC=C2","GKODUQFGYOBNMB-UHFFFAOYSA-N",99601,NA,"PDBC20368","246981","Present",NA,NA
+"20369","3-Benzyl-5-isopropyl-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,3,5-Thiadiazine-2-thione, tetrahydro-5-(1-methyleth...",NA,"CC(C)N1CN(C(=S)SC1)CC2=CC=CC=C2","UNAZWQQECWZDDN-UHFFFAOYSA-N",295583,NA,"PDBC20369","164981","Present",NA,NA
+"20370","3-Benzyl-5-phenyl-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-5-phenyl-1H-pyrazole",NA,"C1=CC=C(C=C1)CC2=CC(=NN2)C3=CC=CC=C3","ZLVBMDHJLBYKFG-UHFFFAOYSA-N",283965,NA,"PDBC20370","139240","Present",NA,NA
+"20371","3-Benzyl-5a-methoxy-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-5a-methoxy-7,8-dihydro-6H-pyrido[3,4-b]pyrrolizine-4,5-dione",NA,"COC12CCCN1C3=C(C2=O)C(=O)N(C=C3)CC4=CC=CC=C4","VKLXMHLASNHERQ-UHFFFAOYSA-N",387654,NA,"PDBC20371","681661","Present",NA,NA
+"20372","3-Benzyl-6,7-difluoro-2-quinoxalinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6,7-difluoro-2-quinoxalinol",NA,"C1=CC=C(C=C1)CC2=NC3=CC(=C(C=C3NC2=O)F)F","VWVDZHVMNRXKLW-UHFFFAOYSA-N",394144,NA,"PDBC20372","697371","Present",NA,NA
+"20373","3-Benzyl-6,7-dimethoxy-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-benzyl-6,7-dimethoxy-2-(3,4,5-trimethoxybenzylthio)qui...",NA,"COC1=CC(=CC(=C1OC)OC)CSC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=CC=C4)OC)OC","OSUKXDXDUVHKTJ-UHFFFAOYSA-N",134150511,NA,"PDBC20373","764494","Present",NA,NA
+"20374","3-Benzyl-6-(trifluoromethyl)quinoxalin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-(trifluoromethyl)quinoxalin-2-ol",NA,"C1=CC=C(C=C1)CC2=NC3=C(C=CC(=C3)C(F)(F)F)NC2=O","RMUQLRXVQUQKMD-UHFFFAOYSA-N",394143,NA,"PDBC20374","697370","Present",NA,NA
+"20375","3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2,5-dichlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2,5-dichlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)COC4=CC(=C(C=C4Cl)OCC5=NN6C(=NN=C6S5)CC7=CC=CC=C7)Cl","LOUWOQGVWZRRSF-UHFFFAOYSA-N",402719,NA,"PDBC20375","716907","Present",NA,NA
+"20376","3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC=C(C=C1)CC2=NN=C3N2N=C(S3)COC4=CC(=C(C=C4)OCC5=NN6C(=NN=C6S5)CC7=CC=CC=C7)Cl","JZQDLANFZYUVTJ-UHFFFAOYSA-N",402717,NA,"PDBC20376","716905","Present",NA,NA
+"20377","3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-[[4-[(3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"CC(C)(C)C1=CC(=C(C=C1OCC2=NN3C(=NN=C3S2)CC4=CC=CC=C4)Cl)OCC5=NN6C(=NN=C6S5)CC7=CC=CC=C7","MFUJKXNXTPFGKO-UHFFFAOYSA-N",402721,NA,"PDBC20377","716909","Present",NA,NA
+"20378","3-Benzyl-6-chloro-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-benzyl-6-chloro-2-(3,4,5-trimethoxybenzylthio)quinazol...",NA,"COC1=CC(=CC(=C1OC)OC)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC4=CC=CC=C4","QJAIETSYFSRODY-UHFFFAOYSA-N",134147260,NA,"PDBC20378","764492","Present",NA,NA
+"20379","3-Benzyl-6-iodo-1H-quinazoline-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-iodo-1H-quinazoline-2,4-dithione",NA,"C1=CC=C(C=C1)CN2C(=S)C3=C(C=CC(=C3)I)NC2=S","OQEBNEGZYGMUMR-UHFFFAOYSA-N",5471982,NA,"PDBC20379","715741","Present",NA,NA
+"20380","3-Benzyl-6-iodo-2-(1,3,4-oxadiazol-2-ylmethylsulfanyl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-iodo-2-[(1,3,4-oxadiazol-2-ylmethyl)sulfanyl]quinazolin-4(3h)-one",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NN=CO4","BPGXZKRXKXIJIC-UHFFFAOYSA-N",402037,NA,"PDBC20380","715732","Present",NA,NA
+"20381","3-Benzyl-6-iodo-2-(1,3,4-thiadiazol-2-ylmethylsulfanyl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-iodo-2-[(1,3,4-thiadiazol-2-ylmethyl)sulfanyl]quinazolin-4(3h)-one",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NN=CS4","DEDGHERLFSPWJO-UHFFFAOYSA-N",402038,NA,"PDBC20381","715733","Present",NA,NA
+"20382","3-Benzyl-6-iodo-2-(3-nitropyridin-2-yl)sulfanylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-iodo-2-[(3-nitropyridin-2-yl)sulfanyl]quinazolin-4(3h)-one",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SC4=C(C=CC=N4)[N+](=O)[O-]","LNIDLTSIBCUZQB-UHFFFAOYSA-N",402015,NA,"PDBC20382","715710","Present",NA,NA
+"20383","3-Benzyl-6-iodo-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-iodo-2-[(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)methylsulfanyl]quinazolin-4-one",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC4=NNC(=S)O4","WSULZMQSOMZGIB-UHFFFAOYSA-N",5471983,NA,"PDBC20383","715744","Present",NA,NA
+"20384","3-Benzyl-6-iodo-2-[(5-oxo-4,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-iodo-2-[(5-oxo-4,6-dihydro-1H-1,2,4-triazin-3-yl)methylsulfanyl]quinazolin-4-one",NA,"C1C(=O)NC(=NN1)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4","YZGXSJNQTHPFLH-UHFFFAOYSA-N",135426744,NA,"PDBC20384","715746","Present",NA,NA
+"20385","3-Benzyl-6-iodo-2-[(E)-2-oxo-4-phenylbut-3-enyl]sulfanylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-iodo-2-[(E)-2-oxo-4-phenylbut-3-enyl]sulfanylquinazolin-4-one",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)C=CC4=CC=CC=C4","AXOKETWOQOGBPQ-ACCUITESSA-N",5471980,NA,"PDBC20385","715729","Present",NA,NA
+"20386","3-Benzyl-6-iodo-2-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-iodo-2-[2-(3-methyl-5-oxo-4H-pyrazol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one",NA,"CC1=NN(C(=O)C1)C(=O)CSC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4","HCHCWBVURHSPEY-UHFFFAOYSA-N",402048,NA,"PDBC20386","715743","Present",NA,NA
+"20387","3-Benzyl-6-methyl-2,3,4,4a,5,6-hexahydro-1H-pyrazino[1,2-a]pyrido[2,3-e]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Benzyl-8-methyl-1,6,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene",NA,"CN1CC2CN(CCN2C3=C1N=CC=C3)CC4=CC=CC=C4","QQRKBUQELPSBBI-UHFFFAOYSA-N",388449,NA,"PDBC20387","683376","Present",NA,NA
+"20388","3-Benzyl-6-methyl-2,3-dihydro-1H-pyrazino[1,2-a]pyrido[2,3-e]pyrazine-1,4,5(4aH,6H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Benzyl-8-methyl-1,6,8,12-tetrazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-9,11,14-trione",NA,"CN1C(=O)C2C(=O)N(CC(=O)N2C3=C1N=CC=C3)CC4=CC=CC=C4","UNZLJXLSZNSJTD-UHFFFAOYSA-N",388448,NA,"PDBC20388","683375","Present",NA,NA
+"20389","3-Benzyl-6-methyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-benzyl-6-methyl-2-(3,4,5-trimethoxybenzylthio)quinazol...",NA,"CC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3)SCC4=CC(=C(C(=C4)OC)OC)OC","AGKNXKOPENBUQA-UHFFFAOYSA-N",134151852,NA,"PDBC20389","764493","Present",NA,NA
+"20390","3-Benzyl-6-nonyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-nonyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"CCCCCCCCCC1=NN2C(=NN=C2S1)CC3=CC=CC=C3","JXZMLSOSAGJXGR-UHFFFAOYSA-N",395130,NA,"PDBC20390","699421","Present",NA,NA
+"20391","3-Benzyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione",NA,"C1CCN(C1)C2=CC(=O)N(C(=O)N2)CC3=CC=CC=C3","PYQIWKGHIUSOSF-UHFFFAOYSA-N",386641,NA,"PDBC20391","679098","Present",NA,NA
+"20392","3-Benzyl-7,8-dimethoxy-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-7,8-dimethoxy-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine",NA,"COC1=C(C=C2C(ON(CCC2=C1)CC3=CC=CC=C3)C=C)OC","OZWWEIDSIBLVQN-UHFFFAOYSA-N",383921,NA,"PDBC20392","672877","Present",NA,NA
+"20393","3-Benzyl-7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-7-(cyclopropylmethyl)-3,7-diazabicyclo[3.3.1]nonan-9-one",NA,"C1CC1CN2CC3CN(CC(C2)C3=O)CC4=CC=CC=C4","VPBJPQMBMZFEOB-UHFFFAOYSA-N",370728,NA,"PDBC20393","644248","Present",NA,NA
+"20394","3-Benzyl-7-(trifluoromethyl)quinoxalin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-7-(trifluoromethyl)quinoxalin-2-ol",NA,"C1=CC=C(C=C1)CC2=NC3=C(C=C(C=C3)C(F)(F)F)NC2=O","AJJHFUKMPBOZKX-UHFFFAOYSA-N",394142,NA,"PDBC20394","697369","Present",NA,NA
+"20395","3-Benzyl-7-chloro-5-(4-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-7-chloro-5-(4-hydroxyphenyl)-1-pentyl-3H-1,4-benzodiazepin-2-one",NA,"CCCCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)CC3=CC=CC=C3)C4=CC=C(C=C4)O","VBQQYXIDOWSJIE-UHFFFAOYSA-N",391784,NA,"PDBC20395","691369","Present",NA,NA
+"20396","3-Benzyl-7-oxa-1,2,3-triazaspiro[4.4]non-1-en-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyl-7-oxa-1,2,3-triazaspiro[4.4]non-1-en-6-one",NA,"C1COC(=O)C12CN(N=N2)CC3=CC=CC=C3","SXZUDTSBHCCXQT-UHFFFAOYSA-N",392643,NA,"PDBC20396","693222","Present",NA,NA
+"20397","3-Benzylidene-1-acetylpiperidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzylidene-1-acetylpiperidin-4-one",NA,"CC(=O)N1CCC(=O)C(=CC2=CC=CC=C2)C1","TWMIJEGBUYMAIA-UKTHLTGXSA-N",5387103,NA,"PDBC20397","620458","Present",NA,NA
+"20398","3-Benzylidene-2-indolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC405961",NA,"C1=CC=C(C=C1)C=C2C3=CC=CC=C3NC2=O","SXJAAQOVTDUZPS-RAXLEYEMSA-N",1551501,NA,"PDBC20398","405961","Present",NA,NA
+"20399","3-Benzylidene-6,6-dimethylbicyclo[3.1.1]heptane-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.597.833J",NA,"CC1(C2CC1C(=O)C(=CC3=CC=CC=C3)C2)C","NKWTXASMNZHMLU-XYOKQWHBSA-N",5387060,NA,"PDBC20399","620048","Present",NA,NA
+"20400","3-Benzylideneimidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzylideneimidazo[2,1-b]quinazoline-2,5(1H,3H)-dione",NA,"C1=CC=C(C=C1)C=C2C(=O)NC3=NC4=CC=CC=C4C(=O)N23","AQWOGTVZOMEHRH-GXDHUFHOSA-N",135493945,NA,"PDBC20400","684345","Present",NA,NA
+"20401","3-Benzyloxy-1-[(4-methoxyphenyl)methyl]-5-nitro-indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyloxy-1-[(4-methoxyphenyl)methyl]-5-nitro-indazole",NA,"COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)OCC4=CC=CC=C4","UQBHBWVGTVDYOE-UHFFFAOYSA-N",386340,NA,"PDBC20401","678123","Present",NA,NA
+"20402","3-Benzyloxy-1-methyl-4-(2-thioxothiazolidine-3-carbonyl)pyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyloxy-1-methyl-4-(2-thioxothiazolidine-3-carbonyl)pyridin-2-one",NA,"CN1C=CC(=C(C1=O)OCC2=CC=CC=C2)C(=O)N3CCSC3=S","LSCQAXFNKGKCDV-UHFFFAOYSA-N",391977,NA,"PDBC20402","691699","Present",NA,NA
+"20403","3-Benzyloxymethyl-4(3H)-quinazalone, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyloxymethyl-4(3H)-quinazalone, hydrochloride",NA,"C1=CC=C(C=C1)COCN2C=NC3=CC=CC=C3C2=O.Cl","CTQYFXQWLSDGAV-UHFFFAOYSA-N",390548,NA,"PDBC20403","688036","Present",NA,NA
+"20404","3-Benzyloxymethyl-5-bromo-4(3H)-quinazalone, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzyloxymethyl-5-bromo-4(3H)-quinazalone, hydrochloride",NA,"C1=CC=C(C=C1)COCN2C=NC3=C(C2=O)C=C(C=C3)Br.Cl","SRLSLBTWMKGVGG-UHFFFAOYSA-N",390550,NA,"PDBC20404","688037","Present",NA,NA
+"20405","3-Benzylsulfanyl-4-phenylpyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzylsulfanyl)-4-phenyl-4h-pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide",NA,"C1=CC=C(C=C1)CSC2=NS(=O)(=O)C3=C(N2C4=CC=CC=C4)C=CN=C3","YDEGBMJAEUJINN-UHFFFAOYSA-N",401340,NA,"PDBC20405","714652","Present",NA,NA
+"20406","3-Benzylsulfanylphenanthro[9,10-e][1,2,4]triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzylthio)phenanthro[9,10-e][1,2,4]triazine",NA,"C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4C5=CC=CC=C53)N=N2","VNLBCJYVPMIDDO-UHFFFAOYSA-N",332058,NA,"PDBC20406","327702","Present",NA,NA
+"20407","3-Benzylsulfonyl-2-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Benzylsulfonyl)-2-methylpropanamide",NA,"CC(CS(=O)(=O)CC1=CC=CC=C1)C(=O)N","GBGQJMVOIZIQCF-UHFFFAOYSA-N",335544,NA,"PDBC20407","345671","Present",NA,NA
+"20408","3-Bis(4-methylanilino)phosphoryloxy-N-(4-methylphenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bis(4-methylanilino)phosphoryloxy-N-(4-methylphenyl)benzamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OP(=O)(NC3=CC=C(C=C3)C)NC4=CC=C(C=C4)C","BIGLTBKYQWTMIG-UHFFFAOYSA-N",382340,NA,"PDBC20408","669807","Present",NA,NA
+"20409","3-Bromo-1,2,2,6,6-pentamethylpiperidin-4-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670169",NA,"CC1(CC(=O)C(C(N1C)(C)C)Br)C.Br","RPCGTTSMXJWYCI-UHFFFAOYSA-N",382561,NA,"PDBC20409","670169","Present",NA,NA
+"20410","3-Bromo-1,2,4-trimethyl-5-nitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Bromo-2,4,5-trimethylphenyl)(hydroxy)azane oxide",NA,"CC1=CC(=C(C(=C1C)Br)C)[N+](=O)[O-]","KPQBZJCFTJHRJU-UHFFFAOYSA-N",321408,NA,"PDBC20410","271928","Present",NA,NA
+"20411","3-Bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)Br","BVKYBJRXHXMTSV-UHFFFAOYSA-N",372722,NA,"PDBC20411","648305","Present",NA,NA
+"20412","3-Bromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-1,5,2,4-dioxadithiocane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)OC1)Br","HVLDDIVWVPWBOB-UHFFFAOYSA-N",380416,NA,"PDBC20412","665939","Present",NA,NA
+"20413","3-Bromo-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ethyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-2-endo-Ethylcarboxyloxy-3-endo-bromo-1,7,7-trimethy...",NA,"CCOC(=O)OC1C(C2CCC1(C2(C)C)C)Br","XNKUKQNZIXMXIQ-UHFFFAOYSA-N",376768,NA,"PDBC20413","657825","Present",NA,NA
+"20414","3-Bromo-1-(2,5-dimethoxy-4-methylphenyl)-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-1-(2,5-dimethoxy-4-methylphenyl)-1-propanol",NA,"CC1=CC(=C(C=C1OC)C(CCBr)O)OC","JSDZDYSEHXFROL-UHFFFAOYSA-N",356336,NA,"PDBC20414","611750","Present",NA,NA
+"20415","3-Bromo-1-oxo-2-phenylthiochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-1-oxo-2-phenylthiochromen-4-one",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3S2=O)Br","PRRUTZLYWDIZDZ-UHFFFAOYSA-N",5472015,NA,"PDBC20415","715997","Present",NA,NA
+"20416","3-Bromo-1H-indole-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-16770",NA,"C1=CC=C2C(=C1)C(=C(N2)C=O)Br","BJYNPOMFNPNCHZ-UHFFFAOYSA-N",360189,NA,"PDBC20416","622161","Present",NA,NA
+"20417","3-Bromo-2,3-dihydro-4h-1,4-thiazepino[2,3,4-iu]quinolinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Bromo-10-thia-1-azoniatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8-pentaene;bromide",NA,"C1C(CSC2=CC=CC3=C2[N+]1=CC=C3)Br.[Br-]","VBVMKTGVKGCKSO-UHFFFAOYSA-M",398483,NA,"PDBC20417","708387","Present",NA,NA
+"20418","3-Bromo-2,6-dichloro-3-(chloromethyl)-7-methyloct-1-ene;2,3-dibromo-6-chloro-3-(chloromethyl)-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-2,6-dichloro-3-(chloromethyl)-7-methyloct-1-ene;2,3-dibromo-6-chloro-3-(chloromethyl)-7-methyloct-1-ene",NA,"CC(C)C(CCC(CCl)(C(=C)Cl)Br)Cl.CC(C)C(CCC(CCl)(C(=C)Br)Br)Cl","LNVPKWIMTSCNDO-UHFFFAOYSA-N",6712340,NA,"PDBC20418","670798","Present",NA,NA
+"20419","3-Bromo-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-6-methoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-2-(2,3-dihydro-1H-indol-1-ylcarbonyl)-6-methoxyaniline",NA,"COC1=C(C(=C(C=C1)Br)C(=O)N2CCC3=CC=CC=C32)N","BJSYOMPNEGAUEF-UHFFFAOYSA-N",362977,NA,"PDBC20419","627509","Present",NA,NA
+"20420","3-Bromo-2-(bromomethyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-2-(bromomethyl)-5,9-dimethyl-7H-furo[3,2-g]chromen-7-one",NA,"CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)CBr)Br)C","CIGORHUILUXPDJ-UHFFFAOYSA-N",383153,NA,"PDBC20420","671199","Present",NA,NA
+"20421","3-Bromo-2-ethoxy-1-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-2-ethoxy-1-methyl-1,2,3,4-tetrahydrobenzo[g]pyridazino[1,2-b]phthalazine-6,13-dione",NA,"CCOC1C(N2C(=O)C3=CC4=CC=CC=C4C=C3C(=O)N2CC1Br)C","DQAFLNVGFSWHQX-UHFFFAOYSA-N",373133,NA,"PDBC20421","649075","Present",NA,NA
+"20422","3-Bromo-2-ethoxy-tetrahydropyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AI3-19972",NA,"CCOC1C(CCCO1)Br","MKDZXJPQACWMSP-UHFFFAOYSA-N",217662,NA,"PDBC20422","619971","Present",NA,NA
+"20423","3-Bromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-2-methylpyrazolo[1,5-a]pyridin-5-yl acetate",NA,"CC1=NN2C=CC(=CC2=C1Br)OC(=O)C","WGVHINMJCOFEOF-UHFFFAOYSA-N",386501,NA,"PDBC20423","678871","Present",NA,NA
+"20424","3-Bromo-2-phenylquinolin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000116",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)Br","XTXHUFVPTJDODX-UHFFFAOYSA-N",224423,NA,"PDBC20424","12825","Present",NA,NA
+"20425","3-Bromo-3-(bromomethyl)-6-chloro-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-3-(bromomethyl)-6-chloro-7-methyloct-1-ene",NA,"CC(C)C(CCC(CBr)(C=C)Br)Cl","LOHJESIGLRETPU-UHFFFAOYSA-N",382917,NA,"PDBC20425","670792","Present",NA,NA
+"20426","3-Bromo-3-fluoro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-3-fluoro-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)(F)Br","FZTOZLCHIQSMMO-UHFFFAOYSA-N",380420,NA,"PDBC20426","665943","Present",NA,NA
+"20427","3-Bromo-3-methyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-3-methyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"CC1(S(=O)(=O)OCCOS1(=O)=O)Br","FBZKPKCKRRTFNL-UHFFFAOYSA-N",375070,NA,"PDBC20427","653954","Present",NA,NA
+"20428","3-Bromo-3-methylsulfonyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-3-(methylsulfonyl)-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"CS(=O)(=O)C1(S(=O)(=O)OCCOS1(=O)=O)Br","KGURBLIMPNLTMZ-UHFFFAOYSA-N",375069,NA,"PDBC20428","653953","Present",NA,NA
+"20429","3-Bromo-4'-chlorochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-4'-chlorochalcone",NA,"C1=CC(=CC(=C1)Br)C=CC(=O)C2=CC=C(C=C2)Cl","CLCKUHZBRBOVTR-RUDMXATFSA-N",5796429,NA,"PDBC20429","159065","Present",NA,NA
+"20430","3-Bromo-4,4-dimethyl-3-phenyl-3,4-dihydro-1,2-diazete 1,2-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diazete, 3-bromo-3,4-dihydro-4,4-dimethyl-3-phenyl-,...",NA,"CC1(C([N+](=O)N1[O-])(C2=CC=CC=C2)Br)C","MCTAMJHNQXDECG-UHFFFAOYSA-N",379390,NA,"PDBC20430","663932","Present",NA,NA
+"20431","3-Bromo-4-(1-hexynyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-bromo-4-(1-hexynyl)-2(5H)-furanone",NA,"CCCCC#CC1=C(C(=O)OC1)Br","KJEKSVOBQOQQKR-UHFFFAOYSA-N",10466937,NA,"PDBC20431","726327","Present",NA,NA
+"20432","3-Bromo-4-(2-(4-methoxyphenyl)ethynyl)furan-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-bromo-4-(2-(4-methoxyphenyl)ethynyl)furan-2(5H)-one",NA,"COC1=CC=C(C=C1)C#CC2=C(C(=O)OC2)Br","ORLYFVOVRNFNJE-UHFFFAOYSA-N",24204187,NA,"PDBC20432","730944","Present",NA,NA
+"20433","3-Bromo-4-(3,3-dimethyl-but-1-ynyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-4-(3,3-dimethyl-but-1-ynyl)-2(5H)-furanone",NA,"CC(C)(C)C#CC1=C(C(=O)OC1)Br","FGQJABGBZLBMMZ-UHFFFAOYSA-N",11413833,NA,"PDBC20433","726328","Present",NA,NA
+"20434","3-Bromo-4-(3-chloro-4-hydroxyphenyl)-5-(4-hydroxybenzylidene)furan-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5Z)-3-bromo-5-[(4-hydroxyphenyl)methylene]-4-(3-chloro-...",NA,"C1=CC(=CC=C1C=C2C(=C(C(=O)O2)Br)C3=CC(=C(C=C3)O)Cl)O","YLZGYZBRGQMYRW-AUWJEWJLSA-N",5472705,NA,"PDBC20434","720858","Present",NA,NA
+"20435","3-Bromo-4-(3-chloro-4-methoxyphenyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-bromo-4-(3-chloro-4-methoxyphenyl)-2(5H)-furanone",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)OC2)Br)Cl","YQFWHGBYXSGNAU-UHFFFAOYSA-N",406333,NA,"PDBC20435","724392","Present",NA,NA
+"20436","3-Bromo-4-(4-bromo-N-ethyl-anilino)pyrido[1,2-a]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-4-[(4-bromophenyl)(ethyl)amino]-2H-pyrido[1,2-a]pyrimidin-2-one",NA,"CCN(C1=CC=C(C=C1)Br)C2=C(C(=O)N=C3N2C=CC=C3)Br","COHJWSVBZUJJBW-UHFFFAOYSA-N",367819,NA,"PDBC20436","637895","Present",NA,NA
+"20437","3-Bromo-4-(4-ethylsulfanylphenyl)-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-bromo-4-(4-(ethylthio)phenyl)-1-(3,4,5-trimethoxypheny...",NA,"CCSC1=CC=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)Br","HFZUWQQSIKHXFH-UHFFFAOYSA-N",155808722,NA,"PDBC20437","792961","Present",NA,NA
+"20438","3-Bromo-4-(4-heptylthiophen-3-yl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromo-3-thienyl)-4-heptyl-thiophene",NA,"CCCCCCCC1=CSC=C1C2=CSC=C2Br","KKDVTCAWCFJHAJ-UHFFFAOYSA-N",396278,NA,"PDBC20438","701975","Present",NA,NA
+"20439","3-Bromo-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine",NA,"C1=CC(=C(C=C1C=C2C(=O)NC(=S)S2)Br)N(CCC#N)CCC#N","HTMBEOWUVUPUSS-UVTDQMKNSA-N",5469596,NA,"PDBC20439","690617","Present",NA,NA
+"20440","3-Bromo-4-[(2-bromo-6-tert-butyl-4-cyanophenoxy)-phenylphosphoryl]oxy-5-tert-butylbenzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-4-[(2-bromo-6-tert-butyl-4-cyanophenoxy)-phenylphosphoryl]oxy-5-tert-butylbenzonitrile",NA,"CC(C)(C)C1=C(C(=CC(=C1)C#N)Br)OP(=O)(C2=CC=CC=C2)OC3=C(C=C(C=C3Br)C#N)C(C)(C)C","WVXAUWCLYHAMPX-UHFFFAOYSA-N",306052,NA,"PDBC20440","203328","Present",NA,NA
+"20441","3-Bromo-4-chloro-4,5-dihydrocyclopenta[c]thiophen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-6-chloro-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1C(C2=C(SC=C2C1=O)Br)Cl","OXHYCYMFHGMELN-UHFFFAOYSA-N",399786,NA,"PDBC20441","710881","Present",NA,NA
+"20442","3-Bromo-4-dimethylamino benzalacetophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-4-dimethylamino benzalacetophenone",NA,"CN(C)C1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=C2)Br","OQRRXBHCKXWVFK-PKNBQFBNSA-N",5351390,NA,"PDBC20442","643164","Present",NA,NA
+"20443","3-Bromo-4-dimethylamino benzylidene-1-tetralone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-4-dimethylamino benzylidene-1-tetralone",NA,"CN(C)C1=C(C=C(C=C1)C=C2CCC3=CC=CC=C3C2=O)Br","MGZDXGBMBNPRFV-RVDMUPIBSA-N",5351388,NA,"PDBC20443","643162","Present",NA,NA
+"20444","3-Bromo-4-dimethylamino-.alpha.-benzoyl cinnamonitrite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-4-dimethylamino-.alpha.-benzoyl cinnamonitrite",NA,"CN(C)C1=C(C=C(C=C1)C=C(C#N)C(=O)C2=CC=CC=C2)Br","FMULDRRTPXJWII-XNTDXEJSSA-N",6173891,NA,"PDBC20444","643160","Present",NA,NA
+"20445","3-Bromo-4-dimethylamino-benzylidene pinacolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-4-dimethylamino-benzylidene pinacolone",NA,"CC(C)(C)C(=O)C=CC1=CC(=C(C=C1)N(C)C)Br","AIFPYNBIMVUCNT-VQHVLOKHSA-N",5908752,NA,"PDBC20445","643165","Present",NA,NA
+"20446","3-Bromo-4-hydroxy-4,5-dihydrocyclopenta[c]thiophen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromo-6-hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1C(C2=C(SC=C2C1=O)Br)O","YFSVFEQAOMAVIC-UHFFFAOYSA-N",397153,NA,"PDBC20446","704554","Present",NA,NA
+"20447","3-Bromo-4-phenylethynyl-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-4-phenylethynyl-2(5H)-furanone",NA,"C1C(=C(C(=O)O1)Br)C#CC2=CC=CC=C2","VAXZWKWVUPCXFX-UHFFFAOYSA-N",10422840,NA,"PDBC20447","726329","Present",NA,NA
+"20448","3-Bromo-5-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-5-{1-[(4-methylphenyl)sulfonyl]-1h-indol-3-yl}pyrazin-2-amine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CN=C(C(=N4)Br)N","JJUYTSYASSUTBD-UHFFFAOYSA-N",400422,NA,"PDBC20448","712001","Present",NA,NA
+"20449","3-Bromo-6-[3-(dimethylamino)propoxy]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-bromo-6-(3-(dimethylamino)propoxy)-9-methoxy-11H-inden...",NA,"CN(C)CCCOC1=NC2=C(C=CC(=C2)Br)C3=C1C4=C(C3=O)C=C(C=C4)OC","WPKVVFWDYYZHAU-UHFFFAOYSA-N",155816463,NA,"PDBC20449","781404","Present",NA,NA
+"20450","3-Bromo-6-chloro-8-nitroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9610AA",NA,"C1=C2C=C(C=NC2=C(C=C1Cl)[N+](=O)[O-])Br","COVFYLACFRNJLF-UHFFFAOYSA-N",384158,NA,"PDBC20450","673448","Present",NA,NA
+"20451","3-Bromo-6-chloro-quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-6-chloroquinolin-8-ol",NA,"C1=C2C=C(C=NC2=C(C=C1Cl)O)Br","UTZBNSLJVBNZRT-UHFFFAOYSA-N",384174,NA,"PDBC20451","673498","Present",NA,NA
+"20452","3-Bromo-N'-(2-hydroxybenzoyl)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-N'-(2-hydroxybenzoyl)benzohydrazide",NA,"C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)Br)O","ULHQLAPEEWNTKE-UHFFFAOYSA-N",393333,NA,"PDBC20452","695041","Present",NA,NA
+"20453","3-Bromo-N-(4-methylphenyl)sulfonyl-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-N-(4-methylphenyl)sulfonyl-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-3-carboxamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2(S(=O)(=O)OCCOS2(=O)=O)Br","HNOGECDIDSCQNM-UHFFFAOYSA-N",375066,NA,"PDBC20453","653950","Present",NA,NA
+"20454","3-Bromo-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-N-[(5-chloro-2-hydroxyphenyl)carbamothioyl]benzamide",NA,"C1=CC(=CC(=C1)Br)C(=O)NC(=S)NC2=C(C=CC(=C2)Cl)O","KGJIMOHXZUUUBR-UHFFFAOYSA-N",3967840,NA,"PDBC20454","215721","Present",NA,NA
+"20455","3-Bromoadamantane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CB-1740",NA,"C1C2CC3(CC1CC(C2)(C3)Br)C(=O)N","SUSXMUKHFSYNND-UHFFFAOYSA-N",64374,NA,"PDBC20455","632547","Present",NA,NA
+"20456","3-Bromocyclopenta[c]thiophen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Bromocyclopenta[c]thiophen-4-one",NA,"C1=CC(=O)C2=CSC(=C21)Br","SENZFQBCEOEZKS-UHFFFAOYSA-N",397152,NA,"PDBC20456","704553","Present",NA,NA
+"20457","3-Bromopentadecan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromopentadecan-2-one",NA,"CCCCCCCCCCCCC(C(=O)C)Br","DFPQFFUBBOPUGQ-UHFFFAOYSA-N",368419,NA,"PDBC20457","639421","Present",NA,NA
+"20458","3-Bromopyruvic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromopyruvate (acid)///3-Bromopyruvic acid",NA,"C(C(=O)C(=O)O)Br","PRRZDZJYSJLDBS-UHFFFAOYSA-N",70684,NA,"PDBC20458","62343///782120","Present",NA,NA
+"20459","3-Bromoquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromoquinolin-8-ol",NA,"C1=CC2=CC(=CN=C2C(=C1)O)Br","VYGIVXTVBNTOLP-UHFFFAOYSA-N",384167,NA,"PDBC20459","673458","Present",NA,NA
+"20460","3-But-3-en-2-yl-2-hydroxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(But-3-en-2-yl)-2-hydroxybenzaldehyde",NA,"CC(C=C)C1=CC=CC(=C1O)C=O","QHVIESXWEVIHFD-UHFFFAOYSA-N",233642,NA,"PDBC20460","32516","Present",NA,NA
+"20461","3-But-3-enylazepane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-But-3-enylazepane-2-thione",NA,"C=CCCC1CCCCNC1=S","NFFMLHKKXMABGG-UHFFFAOYSA-N",3004925,NA,"PDBC20461","663576","Present",NA,NA
+"20462","3-But-3-enylpiperidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-But-3-enylpiperidine-2-thione",NA,"C=CCCC1CCCNC1=S","VXOQFWXXVFOTOX-UHFFFAOYSA-N",3004387,NA,"PDBC20462","649429","Present",NA,NA
+"20463","3-Butan-2-yl-2-methylbenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(Butan-2-yl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCC(C)N1C(=NC2=C1C(=O)C3=CC=CC=C3C2=O)C","JAQXUKVOOOYTJI-UHFFFAOYSA-N",374252,NA,"PDBC20463","651753","Present",NA,NA
+"20464","3-Butan-2-yloxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Butan-2-yloxy)carbonyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,"CCC(C)OC(=O)C1C2CCC(C1C(=O)O)O2","WZTMXURDBJHVLQ-UHFFFAOYSA-N",369528,NA,"PDBC20464","641385","Present",NA,NA
+"20465","3-Buten-1-one, 3,4,4-trichloro-1-(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-methylphenyl)-3,4,4-trichloro-but-3-en-1-one",NA,"CC1=CC=C(C=C1)C(=O)CC(=C(Cl)Cl)Cl","ZOZDGQZLQYLOMU-UHFFFAOYSA-N",405822,NA,"PDBC20465","723509","Present",NA,NA
+"20466","3-Buten-2-one, 4-(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AI3-11154",NA,"CC1=CC=C(C=C1)C=CC(=O)C","USXMUOFSQBSHGN-VMPITWQZSA-N",5463195,NA,"PDBC20466","636784","Present",NA,NA
+"20467","3-Buten-2-one, 4-phenyl-1-(1H-1,2,4-triazol-3-ylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Buten-2-one, 4-phenyl-1-(1H-1,2,4-triazol-3-ylthio)-",NA,"C1=CC=C(C=C1)C=CC(=O)CSC2=NC=NN2","SYINJHJVHULOSU-VOTSOKGWSA-N",6110619,NA,"PDBC20467","659376","Present",NA,NA
+"20468","3-Butenophenone, 4-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Diphenyl-3-buten-1-one",NA,"C1=CC=C(C=C1)C=CCC(=O)C2=CC=CC=C2","GBUFRJCGZJNUSB-JXMROGBWSA-N",5369654,NA,"PDBC20468","700212","Present",NA,NA
+"20469","3-Butenyl (nitrooxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Butenyl (nitrooxy)acetate",NA,"C=CCCOC(=O)CO[N+](=O)[O-]","NGAXGTBMBGXHST-UHFFFAOYSA-N",361717,NA,"PDBC20469","624961","Present",NA,NA
+"20470","3-Butyl-1,4-dihydropyrazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Butyl-1,4-dihydropyrazol-5-one",NA,"CCCCC1=NNC(=O)C1","LZKLBLBDAJYESY-UHFFFAOYSA-N",390701,NA,"PDBC20470","688342","Present",NA,NA
+"20471","3-Butyl-4-(dimethylamino)-6-(1-methyl-1H-indol-3-yl)-2-oxo-2H-pyran-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Butyl-4-(dimethylamino)-6-(1-methyl-1H-indol-3-yl)-2-oxo-2H-pyran-5-yl acetate",NA,"CCCCC1=C(C(=C(OC1=O)C2=CN(C3=CC=CC=C32)C)OC(=O)C)N(C)C","XWGSXULMWZLITF-UHFFFAOYSA-N",394531,NA,"PDBC20471","698076","Present",NA,NA
+"20472","3-Butyl-5-(5-hexenyl)hexahydro-1H-pyrrolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Butyl-5-(5-hexenyl)hexahydro-1H-pyrrolizine",NA,"CCCCC1CCC2N1C(CC2)CCCCC=C","AVCHFMDYFWBBRU-UHFFFAOYSA-N",370507,NA,"PDBC20472","643728","Present",NA,NA
+"20473","3-Butyl-7-(((2,2-dimethoxyethyl)amino)methyl)-4-pentyl-2-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Butyl-7-(((2,2-dimethoxyethyl)amino)methyl)-4-pentyl-2-quinolinol",NA,"CCCCCC1=C(C(=O)NC2=C1C=CC(=C2)CNCC(OC)OC)CCCC","CTHRWGYCIBTPQM-UHFFFAOYSA-N",379135,NA,"PDBC20473","663414","Present",NA,NA
+"20474","3-Carbamothioylsulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC9906",NA,"C(CSC(=S)N)C(=O)O","WIJJWWIBCIACQL-UHFFFAOYSA-N",1380711,NA,"PDBC20474","9906","Present",NA,NA
+"20475","3-Carbamoyl-6,7-dihydroxy-2-iminochromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638081",NA,"C1=C2C=C(C(=N)OC2=CC(=C1O)O)C(=O)N","NGPLDNSVQRNKAF-UHFFFAOYSA-N",135452204,NA,"PDBC20475","638081","Present",NA,NA
+"20476","3-Carbamoyl-7,8-dihydroxy-2-iminochromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638079",NA,"C1=CC(=C(C2=C1C=C(C(=N)O2)C(=O)N)O)O","YGCFICMCMFUVOP-UHFFFAOYSA-N",135469311,NA,"PDBC20476","638079","Present",NA,NA
+"20477","3-Carboxamide-coumarin deriv., 4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Chloromethyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide",NA,"C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","RUYAFFMOCORBIV-UHFFFAOYSA-N",402501,NA,"PDBC20477","716527","Present",NA,NA
+"20478","3-Chloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azoben...",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC(=CC=C2)Cl","NZFAGPFREPVQQW-UHFFFAOYSA-N",365292,NA,"PDBC20478","632843","Present",NA,NA
+"20479","3-Chloro-1,1-dioxo-benzothiophene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzo[b]thiophenecarboxylic acid, 3-chloro-, S,S-dioxide",NA,"C1=CC=C2C(=C1)C(=C(S2(=O)=O)C(=O)O)Cl","KAEKYMDYNFGGKM-UHFFFAOYSA-N",360917,NA,"PDBC20479","623632","Present",NA,NA
+"20480","3-Chloro-1,6-dihydropyrazolo[3,4-a]acridin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-1,6-dihydropyrazolo[3,4-a]acridin-11-one",NA,"C1=CC=C2C(=C1)C(=O)C3=C4C(=C(NN4)Cl)C=CC3=N2","SLSBCSNMGZLLMJ-UHFFFAOYSA-N",438262,NA,"PDBC20480","629701","Present",NA,NA
+"20481","3-Chloro-1-(2,3-dichlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(2,3-dichlorophenyl)-4-(3-hydroxyanilino)-2,5...",NA,"C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=C(C(=CC=C3)Cl)Cl)Cl","OTQXJKJFLWTKJD-UHFFFAOYSA-N",1339953,NA,"PDBC20481","727737","Present",NA,NA
+"20482","3-Chloro-1-(2,4-dichlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(2,4-dichlorophenyl)-4-(3-hydroxyanilino)-2,5...",NA,"C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)Cl","JWMXGUMDRBBSEW-UHFFFAOYSA-N",1184375,NA,"PDBC20482","727736","Present",NA,NA
+"20483","3-Chloro-1-(2-chlorobenzyl)-4-(3-trifluoromethylanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(2-chlorobenzyl)-4-(3-trifluoromethylanilino)...",NA,"C1=CC=C(C(=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(F)(F)F)Cl","TVVOBBMYKNSTAU-UHFFFAOYSA-N",1179893,NA,"PDBC20483","732694","Present",NA,NA
+"20484","3-Chloro-1-(2-chlorophenyl)-4-(3-hydroxyanilino)-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(2-chlorophenyl)-4-(3-hydroxyanilino)-2,5-dih...",NA,"C1=CC=C(C(=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O)Cl","NXPFNCYYWJJLQD-UHFFFAOYSA-N",729920,NA,"PDBC20484","727740","Present",NA,NA
+"20485","3-Chloro-1-(3,4-dichlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(3,4-dichlorophenyl)-4-(3-hydroxyanilino)-2,5...",NA,"C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl","BJIIVLHTTJVOQZ-UHFFFAOYSA-N",1184374,NA,"PDBC20485","727735","Present",NA,NA
+"20486","3-Chloro-1-(3-chloro-4-methylphenyl)-4-(3-hydroxyanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(3-chloro-4-methylphenyl)-4-(3-hydroxyanilino...",NA,"CC1=C(C=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O)Cl","JFSRPLRXLGZZLF-UHFFFAOYSA-N",1339767,NA,"PDBC20486","727734","Present",NA,NA
+"20487","3-Chloro-1-(3-chlorophenyl)-4-[(3-hydroxyphenyl)amino]-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(3-chlorophenyl)-4-(3-hydroxyanilino)-2,5-dih...",NA,"C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=CC(=CC=C3)Cl)Cl","UYGZTDGGSLBPJS-UHFFFAOYSA-N",713413,NA,"PDBC20487","727739","Present",NA,NA
+"20488","3-Chloro-1-(4-chlorobenzyl)-4-(3-fluoroanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(4-chlorobenzyl)-4-(3-fluoroanilino)-2,5-dihy...",NA,"C1=CC(=CC(=C1)F)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl","UYFLHGLDXNMUHB-UHFFFAOYSA-N",1575030,NA,"PDBC20488","727975","Present",NA,NA
+"20489","3-Chloro-1-(4-chlorobenzyl)-4-(3-hydroxy-4-methylanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(4-chlorobenzyl)-4-(3-hydroxy-4-methylanilino...",NA,"CC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl)O","ZOPSQVLOVVVWKJ-UHFFFAOYSA-N",1575028,NA,"PDBC20489","727974","Present",NA,NA
+"20490","3-Chloro-1-(4-chlorobenzyl)-4-(3-hydroxyanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(4-chlorobenzyl)-4-(3-hydroxyanilino)-2,5-dih...",NA,"C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl","BTNZSQPLPOQPBR-UHFFFAOYSA-N",1575025,NA,"PDBC20490","727973","Present",NA,NA
+"20491","3-Chloro-1-(4-chlorobenzyl)-4-(3-methoxyanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(4-chlorobenzyl)-4-(3-methoxyanilino)-2,5-dih...",NA,"COC1=CC=CC(=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl","ZCLBARXSAUHKPL-UHFFFAOYSA-N",1574986,NA,"PDBC20491","727971","Present",NA,NA
+"20492","3-Chloro-1-(4-chlorobenzyl)-4-(3-toluidino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(4-chlorobenzyl)-4-(3-toluidino)-2,5-dihydro-...",NA,"CC1=CC(=CC=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl","SCOJJIMUYNJXKF-UHFFFAOYSA-N",1574961,NA,"PDBC20492","727969","Present",NA,NA
+"20493","3-Chloro-1-(4-chlorobenzyl)-4-(3-trifluoromethylanilino)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(4-chlorobenzyl)-4-(3-trifluoromethylanilino)...",NA,"C1=CC(=CC(=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl)C(F)(F)F","JRLXLGYNQYCXPS-UHFFFAOYSA-N",1574997,NA,"PDBC20493","727972","Present",NA,NA
+"20494","3-Chloro-1-(5-chloro-2-methoxyphenyl)-4-(3-hydroxyanilino)-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(5-chloro-2-methoxyphenyl)-4-(3-hydroxyanilin...",NA,"COC1=C(C=C(C=C1)Cl)N2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O","PHZGMLLJKICSIT-UHFFFAOYSA-N",1039165,NA,"PDBC20494","727732","Present",NA,NA
+"20495","3-Chloro-1-[(2,4-dichlorophenyl)methyl]-4-(3-hydroxyanilino)pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-1-(2,4-dichlorobenzyl)-4-(3-hydroxyanilino)-2,5...",NA,"C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)Cl","WZZMAAYXMSOGAC-UHFFFAOYSA-N",1179901,NA,"PDBC20495","732796","Present",NA,NA
+"20496","3-Chloro-10-methylacridin-9(10h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridanone, 3-chloro-10-methyl-",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C=C(C=C3)Cl","IBBMWCKISGYFMK-UHFFFAOYSA-N",294452,NA,"PDBC20496","162887","Present",NA,NA
+"20497","3-Chloro-10H-pyridazino[4,3-b][1,4]benzothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chlor-10H-pyridazino[4,3-b][1,4]benzothiazin",NA,"C1=CC=C2C(=C1)NC3=NN=C(C=C3S2)Cl","GUFFLUIBTAFRHG-UHFFFAOYSA-N",327173,NA,"PDBC20497","301168","Present",NA,NA
+"20498","3-Chloro-16-[4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy]-benzylidene]-androst-5-ene-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-16-[4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethoxy...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC=C(C=C5)OCC(=O)N6CCN(CC6)C)C4=O)C)Cl","AFPXSJKULFZBQM-PTGBLXJZSA-N",60148020,NA,"PDBC20498","753491","Present",NA,NA
+"20499","3-Chloro-1H-indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloroindazole",NA,"C1=CC2=C(NN=C2C=C1)Cl","QPHAGNNWDZSKJH-UHFFFAOYSA-N",95894,NA,"PDBC20499","42179","Present",NA,NA
+"20500","3-Chloro-2,2-bis(chloromethyl)propyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-2,2-bis(chloromethyl)propyl methanesulfonate",NA,"CS(=O)(=O)OCC(CCl)(CCl)CCl","JUIARHVJVBNNEA-UHFFFAOYSA-N",373711,NA,"PDBC20500","650612","Present",NA,NA
+"20501","3-Chloro-2-(1-acetyl-5-chloro-1H-pyrazol-3-yl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Acetyl-5-chloro-1h-pyrazol-3-yl)-3-chloroquinoxaline",NA,"CC(=O)N1C(=CC(=N1)C2=NC3=CC=CC=C3N=C2Cl)Cl","QSTYJADXJPMKFH-UHFFFAOYSA-N",399572,NA,"PDBC20501","710446","Present",NA,NA
+"20502","3-Chloro-2-(3,4-dimethoxyphenyl)-1,5,6-trimethoxy-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-2-(3,4-dimethoxyphenyl)-1,5,6-trimethoxy-1H-indene",NA,"COC1C2=CC(=C(C=C2C(=C1C3=CC(=C(C=C3)OC)OC)Cl)OC)OC","MVHXQJNXLZHNFP-UHFFFAOYSA-N",373705,NA,"PDBC20502","650597","Present",NA,NA
+"20503","3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-inden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-inden-1-one",NA,"COC1=C(C=C(C=C1)C2=C(C3=CC(=C(C=C3C2=O)OC)OC)Cl)OC","SPXFXYOHHGCBHY-UHFFFAOYSA-N",388099,NA,"PDBC20503","682562","Present",NA,NA
+"20504","3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-indene",NA,"COC1=C(C=C(C=C1)C2=C(C3=CC(=C(C=C3C2)OC)OC)Cl)OC","YCOMVNYUYPKRSD-UHFFFAOYSA-N",375767,NA,"PDBC20504","655916","Present",NA,NA
+"20505","3-Chloro-2-(dibenzoylamino)-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-2-(dibenzoylamino)-1,4-naphthoquinone",NA,"C1=CC=C(C=C1)C(=O)N(C2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C(=O)C4=CC=CC=C4","FLNYCOQJVVSTHM-UHFFFAOYSA-N",389900,NA,"PDBC20505","686551","Present",NA,NA
+"20506","3-Chloro-2-formyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-2-formyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)N=C3N2C(=O)C(=CO)C(=C3C#N)Cl","OQWFLQZYCDSANH-VURMDHGXSA-N",135409141,NA,"PDBC20506","659485","Present",NA,NA
+"20507","3-Chloro-2-methyl-1,2-benzoselenazol-2-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC291534",NA,"C[N+]1=C(C2=CC=CC=C2[Se]1)Cl.[Cl-]","VNBMCYLFEXBZFG-UHFFFAOYSA-M",24198262,NA,"PDBC20507","291534","Present",NA,NA
+"20508","3-Chloro-2-phenyl-6-[(3,4,5-trimethoxyphenoxy)methyl]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-2-phenyl-6-[(3,4,5-trimethoxyphenoxy)methyl]quinoxaline",NA,"COC1=CC(=CC(=C1OC)OC)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","WTCOIIHUWZNPRD-UHFFFAOYSA-N",392808,NA,"PDBC20508","693764","Present",NA,NA
+"20509","3-Chloro-2-phenyl-6-[(3,5-dimethoxyphenoxy)methyl]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-6-[(3,5-dimethoxyphenoxy)methyl]-2-phenylquinoxaline",NA,"COC1=CC(=CC(=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4)OC","CWNXINJPWCQNMU-UHFFFAOYSA-N",392809,NA,"PDBC20509","693765","Present",NA,NA
+"20510","3-Chloro-2-phenyl-6-[(4-fluorophenoxy)methyl]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-6-[(4-fluorophenoxy)methyl]-2-phenylquinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)COC4=CC=C(C=C4)F)N=C2Cl","ODZRGIABKXFAMY-UHFFFAOYSA-N",392817,NA,"PDBC20510","693773","Present",NA,NA
+"20511","3-Chloro-2-phenyl-6-[(4-methoxyphenoxy)methyl]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-6-[(4-methoxyphenoxy)methyl]-2-phenylquinoxaline",NA,"COC1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","GHRMAUPCTWGVNN-UHFFFAOYSA-N",392810,NA,"PDBC20511","693766","Present",NA,NA
+"20512","3-Chloro-3-(3,4-dimethoxyphenyl)-2-phenylacrylaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-3-(3,4-dimethoxyphenyl)-2-phenylacrylaldehyde",NA,"COC1=C(C=C(C=C1)C(=C(C=O)C2=CC=CC=C2)Cl)OC","JYUILEZKWSVWEJ-VKAVYKQESA-N",3004103,NA,"PDBC20512","627593","Present",NA,NA
+"20513","3-Chloro-3-(4-hydroxyphenyl)-2-phenylacrylaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-chloro-3-(4-hydroxyphenyl)-2-phenyl-prop-2-enal",NA,"C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)O)Cl)C=O","YBHHOEVNNXRJIT-PFONDFGASA-N",3004153,NA,"PDBC20513","632295","Present",NA,NA
+"20514","3-Chloro-4-(3-chloroanilino)-1-(2,5-dihy dro-1H-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-4-(3-chloroanilino)-1-(2,4-dichlorobenzyl)-2,5-...",NA,"C1=CC(=CC(=C1)Cl)NC2=C(C(=O)N(C2=O)CC3=C(C=C(C=C3)Cl)Cl)Cl","JOICVZOUUIXXJS-UHFFFAOYSA-N",1179898,NA,"PDBC20514","732795","Present",NA,NA
+"20515","3-Chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-4-(3-chloroanilino)-1-(2-chlorobenzyl)-2,5-dihy...",NA,"C1=CC=C(C(=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)Cl)Cl","PMEDTCIUPWICEC-UHFFFAOYSA-N",1179892,NA,"PDBC20515","732693","Present",NA,NA
+"20516","3-Chloro-4-(3-chloroanilino)-1-(4-chlorobenzyl)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-4-(3-chloroanilino)-1-(4-chlorobenzyl)-2,5-dihy...",NA,"C1=CC(=CC(=C1)Cl)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)Cl)Cl","JNBRLTGQJWOGPF-UHFFFAOYSA-N",1574964,NA,"PDBC20516","727970","Present",NA,NA
+"20517","3-Chloro-4-(3-hydroxyanilino)-1-(4-methoxybenzyl)-2,5-pyrroledione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-4-(3-hydroxyanilino)-1-(4-methoxybenzyl)-2,5-di...",NA,"COC1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O","XCZQJRDPQQCUHP-UHFFFAOYSA-N",1179896,NA,"PDBC20517","732793","Present",NA,NA
+"20518","3-Chloro-4-(4-chlorophenoxy)-N-(4-(dimethylamino)benzylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-(4-chlorophenoxy)-N-(4-(dimethylamino)benzylidene)aniline",NA,"CN(C)C1=CC=C(C=C1)C=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl","GDKBGTSTBFSOSD-UHFFFAOYSA-N",392950,NA,"PDBC20518","694164","Present",NA,NA
+"20519","3-Chloro-4-(4-chlorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-(4-chlorophenyl)-1-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]azetidin-2-one",NA,"CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N4C(C(C4=O)Cl)C5=CC=C(C=C5)Cl","RUOMUWZHOSWMCW-UHFFFAOYSA-N",403763,NA,"PDBC20519","719182","Present",NA,NA
+"20520","3-Chloro-4-(4-chlorophenyl)-5H-furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-4-(4-chlorophenyl)-5H-furan-2-one",NA,"C1C(=C(C(=O)O1)Cl)C2=CC=C(C=C2)Cl","LBEBHZUNZRODQF-UHFFFAOYSA-N",405305,NA,"PDBC20520","722463","Present",NA,NA
+"20521","3-Chloro-4-(4-hydroxyphenyl)-5-(3-bromo-4-hydroxybenzylidene)furan-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-chloro-4-(4'-hydroxyphenyl)-5-(3",NA,"C1=CC(=CC=C1C2=C(C(=O)OC2=CC3=CC(=C(C=C3)O)Br)Cl)O","WXCBXFXYLBBMBQ-ZSOIEALJSA-N",5472908,NA,"PDBC20521","722460","Present",NA,NA
+"20522","3-Chloro-4-[(3-hydroxyphenyl)amino]-1-(2,4,5-trichlorophenyl)azoline-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-4-(3-hydroxyanilino)-1-(2,4,5-trichlorophenyl)-...",NA,"C1=CC(=CC(=C1)O)NC2=C(C(=O)N(C2=O)C3=CC(=C(C=C3Cl)Cl)Cl)Cl","OUOPGBDTSQGDGI-UHFFFAOYSA-N",1179894,NA,"PDBC20522","732695","Present",NA,NA
+"20523","3-Chloro-4-[(3-hydroxyphenyl)amino]-1-(2-phenylethyl)-1H-pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-4-(3-hydroxyanilino)-1-phenethyl-2,5-dihydro-1H...",NA,"C1=CC=C(C=C1)CCN2C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)O","YLLQDPKAEIEOCQ-UHFFFAOYSA-N",724965,NA,"PDBC20523","727730","Present",NA,NA
+"20524","3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-[4-[3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)N)N)C","NEPRICDFKCWBJJ-UHFFFAOYSA-N",278058,NA,"PDBC20524","127157","Present",NA,NA
+"20525","3-Chloro-4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-[[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C","CXPPEAKWJYCICV-UHFFFAOYSA-N",277243,NA,"PDBC20525","125845","Present",NA,NA
+"20526","3-Chloro-4-[methyl(phenyl)amino]-2H-furo[2,3-h][1]benzopyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-[methyl(phenyl)amino]-2H-furo[2,3-h][1]benzopyran-2-one",NA,"CN(C1=CC=CC=C1)C2=C(C(=O)OC3=C2C=CC4=C3C=CO4)Cl","HUQUXMHGDXCBJE-UHFFFAOYSA-N",341482,NA,"PDBC20526","373765","Present",NA,NA
+"20527","3-Chloro-4-hydroxy-5,8-dimethoxynaphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-hydroxy-5,8-dimethoxynaphthalene-1,2-dione",NA,"COC1=C2C(=C(C=C1)OC)C(=O)C(=O)C(=C2O)Cl","BQCKRIMKOZKHAR-UHFFFAOYSA-N",377182,NA,"PDBC20527","658407","Present",NA,NA
+"20528","3-Chloro-4-methoxy-N-[4-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-methoxy-N-[4-[2-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(=NC(=CC5=CC=CC=C5[N+](=O)[O-])C4=O)C6=CC=CC=C6)Cl","RPRLLFYGNZTFHV-ONUIUJJFSA-N",5472210,NA,"PDBC20528","716944","Present",NA,NA
+"20529","3-Chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(=NC(=CC5=CC=CS5)C4=O)C6=CC=CC=C6)Cl","SXXUJRSHCWDCNL-XYGWBWBKSA-N",5472211,NA,"PDBC20529","716945","Present",NA,NA
+"20530","3-Chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-[(Z)-3-phenylprop-2-enylidene]imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-methoxy-N-[4-[2-[(4Z)-5-oxo-2-phenyl-4-[(Z)-3-phenylprop-2-enylidene]imidazol-1-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(=NC(=CC=CC5=CC=CC=C5)C4=O)C6=CC=CC=C6)Cl","CHUFMOIIJFSOKQ-PKLKSNDSSA-N",5472209,NA,"PDBC20530","716943","Present",NA,NA
+"20531","3-Chloro-4-methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C)Cl","DHEJXBLSCKRICZ-UHFFFAOYSA-N",381507,NA,"PDBC20531","668263","Present",NA,NA
+"20532","3-Chloro-4-methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-2-one, 3-chloro-7-[(tetrahydro-4-methyle...",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4)Cl","YWRGWWAGFKXEDU-UHFFFAOYSA-N",381511,NA,"PDBC20532","668267","Present",NA,NA
+"20533","3-Chloro-4-methyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-methyl-7-(2-oxo-2-phenylethoxy)-2H-chromen-2-one",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)C3=CC=CC=C3)Cl","YXEWWJGSFMYIIE-UHFFFAOYSA-N",387174,NA,"PDBC20533","680710","Present",NA,NA
+"20534","3-Chloro-4-methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2)OCC=C3CCC(=O)O3)Cl","XCQYSCOTCGBJJP-UXBLZVDNSA-N",24205384,NA,"PDBC20534","735336","Present",NA,NA
+"20535","3-Chloro-4-phenylethynyl-5H-furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-4-phenylethynyl-5H-furan-2-one",NA,"C1C(=C(C(=O)O1)Cl)C#CC2=CC=CC=C2","VSSFJKNOZZWLPP-UHFFFAOYSA-N",11435928,NA,"PDBC20535","728554","Present",NA,NA
+"20536","3-Chloro-4-thienyl-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-4-thienyl-2(5H)-furanone",NA,"C1C(=C(C(=O)O1)Cl)C2=CC=CS2","NZKRMEJETRLAGI-UHFFFAOYSA-N",406335,NA,"PDBC20536","724394","Present",NA,NA
+"20537","3-Chloro-5,6-dimethoxy-N,N-dimethyl-2-phenyl-1H-inden-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-5,6-dimethoxy-N,N-dimethyl-2-phenyl-1H-inden-1-amine",NA,"CN(C)C1C2=CC(=C(C=C2C(=C1C3=CC=CC=C3)Cl)OC)OC","GFADEKHAHHJAFK-UHFFFAOYSA-N",373252,NA,"PDBC20537","649316","Present",NA,NA
+"20538","3-Chloro-5-(phenylsulfanylmethyl)xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-5-(phenylsulfanylmethyl)xanthen-9-one",NA,"C1=CC=C(C=C1)SCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl","IVDJZAGOHBOWFZ-UHFFFAOYSA-N",391390,NA,"PDBC20538","690563","Present",NA,NA
+"20539","3-Chloro-5-[(2-methoxyanilino)methyl]xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-5-[(2-methoxyanilino)methyl]xanthen-9-one",NA,"COC1=CC=CC=C1NCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl","CEYMTGCCJDAXAE-UHFFFAOYSA-N",391388,NA,"PDBC20539","690561","Present",NA,NA
+"20540","3-Chloro-5-[(4-methoxyanilino)methyl]xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-5-[(4-methoxyanilino)methyl]xanthen-9-one",NA,"COC1=CC=C(C=C1)NCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl","JHUYXDVAGJOEHO-UHFFFAOYSA-N",391389,NA,"PDBC20540","690562","Present",NA,NA
+"20541","3-Chloro-5-hydroxy-2-(4-nitrophenyl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-5-hydroxy-2-(4-nitrophenyl)naphthalene-1,4-dione",NA,"C1=CC2=C(C(=C1)O)C(=O)C(=C(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])Cl","GFJJRPHPSPGQKX-UHFFFAOYSA-N",375827,NA,"PDBC20541","656075","Present",NA,NA
+"20542","3-Chloro-5-nitro-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-5-nitro-N-(8-nitro-2-oxo-1,3-dihydro-1,5-benzodiazepin-3-yl)benzamide",NA,"C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)C(C=N2)NC(=O)C3=CC(=CC(=C3)Cl)[N+](=O)[O-]","ZGHYXQZXLUYDJA-UHFFFAOYSA-N",369432,NA,"PDBC20542","641202","Present",NA,NA
+"20543","3-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-5H-pyrido[2',1':2,3]imidazo[4,5-b]indole",NA,"C1=CC2=NC3=C(N2C=C1)NC4=C3C=CC(=C4)Cl","LBQQWJXSQDNNEA-UHFFFAOYSA-N",370272,NA,"PDBC20543","643050","Present",NA,NA
+"20544","3-Chloro-6,7-dimethyl-2-quinoxalinecarbonitrile 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-6,7-dimethyl-2-quinoxalinecarbonitrile 1,4-dioxide",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])Cl)C#N","CCVAPSMYJNZZIL-UHFFFAOYSA-N",392858,NA,"PDBC20544","693870","Present",NA,NA
+"20545","3-Chloro-6-(4-chlorophenoxy)-2-methylpyrazino[2,3-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-6-(4-chlorophenoxy)-2-methylpyrazino[2,3-c]isoquinoline",NA,"CC1=C(N=C2C(=N1)C3=CC=CC=C3C(=N2)OC4=CC=C(C=C4)Cl)Cl","VUYQLOWHSTYYTL-UHFFFAOYSA-N",372777,NA,"PDBC20545","648401","Present",NA,NA
+"20546","3-Chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-6-(4-methoxyphenyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl acetate",NA,"CC(=O)OC1=C(SC2=C(C=CC(=C2)Cl)N3C1=CC=C3)C4=CC=C(C=C4)OC","HSIFOAIRNYTRKK-UHFFFAOYSA-N",378548,NA,"PDBC20546","661183","Present",NA,NA
+"20547","3-Chloro-6-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-4-methyl-2-pyridinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-6-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)-4-methyl-2-pyridinol",NA,"CC1=C(C(=O)NC(=C1)C2=C(C3=C(C(=C2O)OC)OC=C3)OC)Cl","KUOXPZNJOITSBQ-UHFFFAOYSA-N",384092,NA,"PDBC20547","673314","Present",NA,NA
+"20548","3-Chloro-7-(2-hydroxy-3-isopropoxypropoxy)-4-methyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-7-(2-hydroxy-3-isopropoxypropoxy)-4-methyl-2H-chromen-2-one",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(COC(C)C)O)Cl","WOLCQMQHVGPURS-UHFFFAOYSA-N",381517,NA,"PDBC20548","668273","Present",NA,NA
+"20549","3-Chloro-7-nitro-1,2,4-benzotriazine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-7-nitro-1,2,4-benzotriazine 1-oxide",NA,"C1=CC2=C(C=C1[N+](=O)[O-])[N+](=NC(=N2)Cl)[O-]","ZJLUWASPMQAXOJ-UHFFFAOYSA-N",6711496,NA,"PDBC20549","628908","Present",NA,NA
+"20550","3-Chloro-8-hydroxy-5-quinolinesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-8-hydroxyquinoline-5-sulfonic acid",NA,"C1=CC(=C2C=C(C=NC2=C1O)Cl)S(=O)(=O)O","AXISMUCPBSDGRD-UHFFFAOYSA-N",395838,NA,"PDBC20550","700841","Present",NA,NA
+"20551","3-Chloro-8-methoxy-as-triazino[3,4-b]benzothiazole-4(H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-8-methoxy-as-triazino[3,4-b]benzothiazole-4(H)-one",NA,"COC1=CC2=C(C=C1)N3C(=O)C(NN=C3S2)Cl","HEZPMQSFPSOSNE-UHFFFAOYSA-N",24204312,NA,"PDBC20551","731301","Present",NA,NA
+"20552","3-Chloro-9-(2-methyl-4-nitro-phenyl)sulfanyl-acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BG-461",NA,"CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl","LZIWXOTUMNLQOY-UHFFFAOYSA-N",371161,NA,"PDBC20552","645162","Present",NA,NA
+"20553","3-Chloro-9-(4-nitrophenyl)sulfanyl-acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BG-460",NA,"C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)Cl)SC4=CC=C(C=C4)[N+](=O)[O-]","ITVFUNZOVAQBNJ-UHFFFAOYSA-N",371142,NA,"PDBC20553","645146","Present",NA,NA
+"20554","3-Chloro-9-(oxiran-2-ylmethylsulfanyl)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-9-(oxiran-2-ylmethylsulfanyl)acridine",NA,"C1C(O1)CSC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl","TVZHVHHLJPEOGD-UHFFFAOYSA-N",395395,NA,"PDBC20554","699931","Present",NA,NA
+"20555","3-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline",NA,"CC(=NC1=CC(=CC=C1)Cl)C2=CC=NC=C2","PESFEQXARPIBQP-UHFFFAOYSA-N",383460,NA,"PDBC20555","671846","Present",NA,NA
+"20556","3-Chloro-N-(3-((3-chlorophenyl)imino)-1-propenyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-(3-((3-chlorophenyl)imino)-1-propenyl)aniline",NA,"C1=CC(=CC(=C1)Cl)NC=CC=NC2=CC(=CC=C2)Cl","NWKGXQFLADZTQJ-XZWFSIJGSA-N",5787368,NA,"PDBC20556","676465","Present",NA,NA
+"20557","3-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-(4,10-dimethyl-2,6-dioxo-2H,6H-pyrano[3,2-g]chromen-3-yl)propanamide",NA,"CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)NC(=O)CCCl","SYNQZTVZCIEMKE-UHFFFAOYSA-N",356998,NA,"PDBC20557","614567","Present",NA,NA
+"20558","3-Chloro-N-(4-methoxyphenyl)furo[2,3-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-(4-methoxyphenyl)furo[2,3-b]quinolin-4-amine",NA,"COC1=CC=C(C=C1)NC2=C3C(=COC3=NC4=CC=CC=C42)Cl","ILKNZAUKLDAMMV-UHFFFAOYSA-N",406537,NA,"PDBC20558","724685","Present",NA,NA
+"20559","3-Chloro-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide",NA,"C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)C4=NNC(=O)C5=CC(=CC=C5)Cl","NEVGITATZIDBSE-NJNXFGOHSA-N",5955340,NA,"PDBC20559","701028","Present",NA,NA
+"20560","3-Chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-5-(trifluoromethyl)pyridin-2-amine",NA,"C1=CC=C(C=C1)C(=NNC2=C(C=C(C=N2)C(F)(F)F)Cl)C3=CC=CC=N3","GOHOXNBIFQIMCA-XYGWBWBKSA-N",5905604,NA,"PDBC20560","693628","Present",NA,NA
+"20561","3-Chloro-N-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenyl]-1-benzothiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-(2-((2-methyl-1,2,3,4-tetrahydroisoquinolin-1...",NA,"CN1CCC2=CC=CC=C2C1CC3=CC=CC=C3NC(=O)C4=C(C5=CC=CC=C5S4)Cl","ACKAQJBYLPLIOW-UHFFFAOYSA-N",328910,NA,"PDBC20561","309874","Present",NA,NA
+"20562","3-Chloro-N-[3-(3-chlorobutanoylamino)-6-oxobenzo[c]chromen-8-yl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-[3-(3-chlorobutanoylamino)-6-oxobenzo[c]chromen-8-yl]butanamide",NA,"CC(CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)NC(=O)CC(C)Cl)OC2=O)Cl","URXZJNIWQIDISL-UHFFFAOYSA-N",24205586,NA,"PDBC20562","736195","Present",NA,NA
+"20563","3-Chloro-N-hydroxy-N-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-hydroxy-N-methylbenzamide",NA,"CN(C(=O)C1=CC(=CC=C1)Cl)O","OQNWUGXINSMGTG-UHFFFAOYSA-N",392393,NA,"PDBC20563","692757","Present",NA,NA
+"20564","3-Chloro-N-mesitylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-mesitylbenzenesulfinamide",NA,"CC1=CC(=C(C(=C1)C)NS(=O)C2=CC(=CC=C2)Cl)C","LWWCNQDZVSVWRO-UHFFFAOYSA-N",375380,NA,"PDBC20564","655051","Present",NA,NA
+"20565","3-Chloro-N-methylfuro[2,3-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-methylfuro[2,3-b]quinolin-4-amine",NA,"CNC1=C2C(=COC2=NC3=CC=CC=C31)Cl","YJXWHGCNMMLNFX-UHFFFAOYSA-N",24203393,NA,"PDBC20565","727804","Present",NA,NA
+"20566","3-Chloro-N-phenylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-N-phenylbenzenesulfinamide",NA,"C1=CC=C(C=C1)NS(=O)C2=CC(=CC=C2)Cl","BVYRZBAICPHLJQ-UHFFFAOYSA-N",385397,NA,"PDBC20566","676571","Present",NA,NA
+"20567","3-Chloro-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-[1,2,4]triazino[3,4-b][1,3]benzothiazol-4-one",NA,"C1=CC=C2C(=C1)N3C(=O)C(=NN=C3S2)Cl","ISYKGOSWMJJOBE-UHFFFAOYSA-N",826953,NA,"PDBC20567","731299","Present",NA,NA
+"20568","3-Chloro-benzoic acid 3-(4-chloro-phenyl)-3-oxo-propenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloro-benzoic acid 3-(4-chloro-phenyl)-3-oxo-propenyl...",NA,"C1=CC(=CC(=C1)Cl)C(=O)OC=CC(=O)C2=CC=C(C=C2)Cl","IGHNONWIOJLLON-CMDGGOBGSA-N",5473325,NA,"PDBC20568","725062","Present",NA,NA
+"20569","3-Chloroadamantan-1-amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC-2064",NA,"C1C2CC3(CC1CC(C2)(C3)Cl)N.Cl","BRXNXSCWHSVIPC-UHFFFAOYSA-N",371825,NA,"PDBC20569","646342","Present",NA,NA
+"20570","3-Chlorochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 3-(3-chlorophenyl)-1-phenyl- (9CI)",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)Cl","XBFMSIZYORSEPA-MDZDMXLPSA-N",5377023,NA,"PDBC20570","1990","Present",NA,NA
+"20571","3-Chloroindolo[2,1-b]quinazoline-6,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloroindolo[2,1-b]quinazoline-6,12-dione",NA,"C1=CC=C2C(=C1)C(=O)C3=NC4=C(C=CC(=C4)Cl)C(=O)N23","BZVZEQMQAGMPDX-UHFFFAOYSA-N",396706,NA,"PDBC20571","703315","Present",NA,NA
+"20572","3-Chloromethyl-6-hydroxyamino-1-(methanesulfonyl)indoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloromethyl-6-hydroxyamino-1-(methanesulfonyl)indoline",NA,"CS(=O)(=O)N1CC(C2=C1C=C(C=C2)NO)CCl","JTLYVUXXQOYWRR-UHFFFAOYSA-N",389321,NA,"PDBC20572","685230","Present",NA,NA
+"20573","3-Chloropropionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Chloropropionic acid",NA,"C(CCl)C(=O)O","QEYMMOKECZBKAC-UHFFFAOYSA-N",7899,NA,"PDBC20573","2183","Present",NA,NA
+"20574","3-Chloropropyl 2-diazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Chloropropoxy)-2-diazonioethenolate",NA,"C(COC(=O)C=[N+]=[N-])CCl","LYGXRSBUUOMZSH-UHFFFAOYSA-N",386738,NA,"PDBC20574","679281","Present",NA,NA
+"20575","3-Chloropropyl disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(3-chloropropyl)disulfide",NA,"C(CSSCCCCl)CCl","GRSMNCKPBGIIFY-UHFFFAOYSA-N",355642,NA,"PDBC20575","609694","Present",NA,NA
+"20576","3-Chloropyrido[1,2-a]benzimidazole-1,4-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Chloropyrido[1,2-a]benzimidazole-1,4-dicarbonitrile",NA,"C1=CC=C2C(=C1)N=C3N2C(=CC(=C3C#N)Cl)C#N","XKZVBIMEOHLGAK-UHFFFAOYSA-N",378325,NA,"PDBC20576","660334","Present",NA,NA
+"20577","3-Chloroquinolin-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH886597",NA,"C1=CC2=CC(=CN=C2C(=C1)N)Cl","JADNCHDIIRDJRU-UHFFFAOYSA-N",384170,NA,"PDBC20577","673461","Present",NA,NA
+"20578","3-Chloroquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH1155889",NA,"C1=CC2=CC(=CN=C2C(=C1)O)Cl","JMXAPFATOSQMSP-UHFFFAOYSA-N",384166,NA,"PDBC20578","673457","Present",NA,NA
+"20579","3-Cinnolinecarboxylic acid, 4-amino-6-chloro-, hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-66483",NA,"C1=CC2=C(C=C1Cl)C(=C(N=N2)C(=O)O)N","HAKAGWNOVFLFAZ-UHFFFAOYSA-N",495817,NA,"PDBC20579","669310","Present",NA,NA
+"20580","3-Cyano-2-oxo-N,3-diphenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-2-oxo-N,3-diphenylpropanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=O)C(=O)NC2=CC=CC=C2","CZICASJWDGLBRP-UHFFFAOYSA-N",359176,NA,"PDBC20580","619856","Present",NA,NA
+"20581","3-Cyano-3,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxybutyl)-1-piperazinecarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-cyano-3,3-diphenylpropyl 4-(4-[(11aS)-7-methoxy-5-oxo-...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4CCN(CC4)C(=S)SCCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6","YFXJRUFVZVFRIW-HKBQPEDESA-N",45028822,NA,"PDBC20581","744470","Present",NA,NA
+"20582","3-Cyano-3,3,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypropyl)-1-piperazinecarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-cyano-3,3-diphenylpropyl 4-(3-[(11aS)-7-methoxy-5-oxo-...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4CCN(CC4)C(=S)SCCC(C#N)(C5=CC=CC=C5)C6=CC=CC=C6","OFPUBDPPVJXQNW-PMERELPUSA-N",45028821,NA,"PDBC20582","744469","Present",NA,NA
+"20583","3-Cyano-3-(2,6-dichlorophenyl)-N-(2-ethylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-3-(2,6-dichlorophenyl)-N-(2-ethylphenyl)-2-oxopropanamide",NA,"CCC1=CC=CC=C1NC(=O)C(=O)C(C#N)C2=C(C=CC=C2Cl)Cl","MWQKCTYWMYREPV-UHFFFAOYSA-N",358517,NA,"PDBC20583","618525","Present",NA,NA
+"20584","3-Cyano-3-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-3-(3,4-dichlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC(=C(C=C3)Cl)Cl","ZHAWBQJIDJILLG-UHFFFAOYSA-N",361016,NA,"PDBC20584","623749","Present",NA,NA
+"20585","3-Cyano-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-3-(3,4-dimethoxyphenyl)-N-(2-(3,4-dimethoxyphenyl)ethyl)-N-methyl-3-phenylpropanamide",NA,"CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CC(C#N)(C2=CC=CC=C2)C3=CC(=C(C=C3)OC)OC","PRLDFVDPGIRSKK-UHFFFAOYSA-N",392647,NA,"PDBC20585","693226","Present",NA,NA
+"20586","3-Cyano-3-(4-(cyanomethyl)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-3-(4-(cyanomethyl)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC=C(C=C3)CC#N","SSNCMUGEXPABSD-UHFFFAOYSA-N",361007,NA,"PDBC20586","623740","Present",NA,NA
+"20587","3-Cyano-3-(4-(hydroxy(oxido)amino)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-3-(4-(hydroxy(oxido)amino)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2-oxopropanamide",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]","FSYUBUCFECOFOM-UHFFFAOYSA-N",361005,NA,"PDBC20587","623737","Present",NA,NA
+"20588","3-Cyano-4,4-diphenyl-3-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-4,4-diphenyl-3-butenoic acid",NA,"C1=CC=C(C=C1)C(=C(CC(=O)O)C#N)C2=CC=CC=C2","JKSPHSCBVXOCEF-UHFFFAOYSA-N",304312,NA,"PDBC20588","195952","Present",NA,NA
+"20589","3-Cyano-4,6-dimethyl-2-pyridinyl benzoyldithiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-4,6-dimethyl-2-pyridinyl benzoyldithiocarbamate",NA,"CC1=CC(=NC(=C1C#N)SC(=S)NC(=O)C2=CC=CC=C2)C","VJJIEGWDMALMNC-UHFFFAOYSA-N",3005435,NA,"PDBC20589","699980","Present",NA,NA
+"20590","3-Cyano-6-methyl-2-oxo-4-(4-pyridyl)-3,4-dihydro-1H-pyridine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-6-methyl-2-oxo-4-(4-pyridyl)-3,4-dihydro-1H-pyridine-5-carboxamide",NA,"CC1=C(C(C(C(=O)N1)C#N)C2=CC=NC=C2)C(=O)N","WREULXJEYTTZIG-UHFFFAOYSA-N",394199,NA,"PDBC20590","697474","Present",NA,NA
+"20591","3-Cyano-8-chloro-4-imino-2-methyl thio pyrimido[2,1-b]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-8-chloro-4-imino-2-methyl thio pyrimido[2,1-b]be...",NA,"CSC1=C(C(=N)N2C3=C(C=C(C=C3)Cl)SC2=N1)C#N","DBXRPBBLKKNERM-UHFFFAOYSA-N",45029244,NA,"PDBC20591","745689","Present",NA,NA
+"20592","3-Cyano-N,3-bis(2-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-N,3-bis(2-methylphenyl)-2-oxopropanamide",NA,"CC1=CC=CC=C1C(C#N)C(=O)C(=O)NC2=CC=CC=C2C","IAZIHVVQHJXLFB-UHFFFAOYSA-N",366970,NA,"PDBC20592","636132","Present",NA,NA
+"20593","3-Cyano-N-(2,6-dichlorophenyl)-2-oxo-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-N-(2,6-dichlorophenyl)-2-oxo-3-phenylpropanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=O)C(=O)NC2=C(C=CC=C2Cl)Cl","VQBQSLBZEBNTBU-UHFFFAOYSA-N",360292,NA,"PDBC20593","622327","Present",NA,NA
+"20594","3-Cyano-N-(2,6-dimethylphenyl)-2-oxo-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-N-(2,6-dimethylphenyl)-2-oxo-3-phenylpropanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C#N)C2=CC=CC=C2","URXKGWJADXWZPL-UHFFFAOYSA-N",366632,NA,"PDBC20594","635307","Present",NA,NA
+"20595","3-Cyano-N-(2-methoxyphenyl)-5,5-dimethyl-2,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-N-(2-methoxyphenyl)-5,5-dimethyl-2,6-dioxohexanamide",NA,"CC(C)(CC(C#N)C(=O)C(=O)NC1=CC=CC=C1OC)C=O","XNUNYRGHHQDACP-UHFFFAOYSA-N",372909,NA,"PDBC20595","648621","Present",NA,NA
+"20596","3-Cyano-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-N-(3,4-dimethylphenyl)-3-(2-methylphenyl)-2-oxopropanamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)C(C#N)C2=CC=CC=C2C)C","GVZGQQVHTBXQPU-UHFFFAOYSA-N",366967,NA,"PDBC20596","636129","Present",NA,NA
+"20597","3-Cyano-N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-(1-naphthyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-N-(4-isopropyl-1,3-benzothiazol-2-yl)-3-(1-naphthyl)-2-oxopropanamide",NA,"CC(C)C1=C2C(=CC=C1)SC(=N2)NC(=O)C(=O)C(C#N)C3=CC=CC4=CC=CC=C43","XWHKGNANWURYLQ-UHFFFAOYSA-N",360716,NA,"PDBC20597","623052","Present",NA,NA
+"20598","3-Cyano-N-(4-nitro-thiazol-2-yl)-2-oxo-3-o-tolyl-propionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-N-(4-nitro-thiazol-2-yl)-2-oxo-3-o-tolyl-propionamide",NA,"CC1=CC=CC=C1C(C#N)C(=O)C(=O)NC2=NC(=CS2)[N+](=O)[O-]","FCDFNDOGLWRWSQ-UHFFFAOYSA-N",366973,NA,"PDBC20598","636135","Present",NA,NA
+"20599","3-Cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5,5-dimethyl-2,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-N-(6-ethoxy-1,3-benzothiazol-2-yl)-5,5-dimethyl-2,6-dioxohexanamide",NA,"CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(CC(C)(C)C=O)C#N","SGVGPNDCXOUEIX-UHFFFAOYSA-N",369790,NA,"PDBC20599","641877","Present",NA,NA
+"20600","3-Cyano-N-[3-[(3-cyano-2-oxo-3-phenylpropanoyl)amino]propyl]-2-oxo-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-N-[3-[(3-cyano-2-oxo-3-phenylpropanoyl)amino]propyl]-2-oxo-3-phenylpropanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=O)C(=O)NCCCNC(=O)C(=O)C(C#N)C2=CC=CC=C2","YNKPRQXUJNCTDR-UHFFFAOYSA-N",365044,NA,"PDBC20600","632002","Present",NA,NA
+"20601","3-Cyano-N~1~,N~1~,N~2~,N~2~-tetraisopropyl-1,2-cubanedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyano-N~1~,N~1~,N~2~,N~2~-tetraisopropyl-1,2-cubanedicarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5(C4C3C25C(=O)N(C(C)C)C(C)C)C#N","IWZOZEDYLBRHMM-UHFFFAOYSA-N",369214,NA,"PDBC20601","640920","Present",NA,NA
+"20602","3-Cyclohexyl-2-cyclohexylimino-5-methyl-6H-pyrimido[5,4-e][1,3]thiazine-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2z)-3-Cyclohexyl-2-cyclohexylimino-5-methyl-6h-pyrimido[5,4-e][1,3]thiazine-4,7-dione",NA,"CC1=C2C(=NC(=O)N1)SC(=NC3CCCCC3)N(C2=O)C4CCCCC4","YQYIREHOOOWOJK-UHFFFAOYSA-N",392192,NA,"PDBC20602","692319","Present",NA,NA
+"20603","3-Cyclohexyl-2-cyclohexylimino-6-phenyl-1,3,5-oxadiazine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyclohexyl-2-cyclohexylimino-6-phenyl-1,3,5-oxadiazine-4-thione",NA,"C1CCC(CC1)N=C2N(C(=S)N=C(O2)C3=CC=CC=C3)C4CCCCC4","QRHQIOYWEQJXOH-UHFFFAOYSA-N",332594,NA,"PDBC20603","330271","Present",NA,NA
+"20604","3-Cyclohexyl-6-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyclohexyl-6-hydroxy-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboximidamide",NA,"C1CCC(CC1)N2CC(=C(N)N)C(=O)NC2=O","HVVZEHWLAGVCMI-UHFFFAOYSA-N",367238,NA,"PDBC20604","636781","Present",NA,NA
+"20605","3-Cyclohexyl-6-methyl-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyclohexyl-6-methyl-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(C(=C2N1C(=O)N(N=N2)C3CCCCC3)C#N)C4=CC=CC=C4","QJWRIJBKIIIXEG-UHFFFAOYSA-N",398638,NA,"PDBC20605","708788","Present",NA,NA
+"20606","3-Cyclohexylaminopropionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM4441503",NA,"C1CCC(CC1)NCCC(=O)O","ATFRXUJCSMOJPH-UHFFFAOYSA-N",33631,NA,"PDBC20606","62840","Present",NA,NA
+"20607","3-Cyclopentyl-1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)propan-1-one hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyclopentyl-1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)propan-1-one hydrazone",NA,"CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)C(=NN)CCC4CCCC4)C)[N+](=O)[O-]","IENGGWHOXBUMFT-BWAHOGKJSA-N",5928560,NA,"PDBC20607","652559","Present",NA,NA
+"20608","3-Cyclopropyl-1,1-dioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyclopropyl-2-(3-phenoxyphenyl)-1,3-thiazolidin-4-one 1,1-dioxide",NA,"C1CC1N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","UQPMYMOEHIGOMO-UHFFFAOYSA-N",401420,NA,"PDBC20608","715072","Present",NA,NA
+"20609","3-Cyclopropyl-6-methyl-6-phenyl-1,3-oxazinane;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683441",NA,"CC1(CCN(CO1)C2CC2)C3=CC=CC=C3.Cl","XAQTWGGAALADOA-UHFFFAOYSA-N",388486,NA,"PDBC20609","683441","Present",NA,NA
+"20610","3-Deazaneplanocin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Deazaneplanocin, hydrochloride",NA,"C1=CN=C(C2=C1N(C=N2)C3C=C(C(C3O)O)CO)N.Cl","UNSKMHKAFPRFTI-UHFFFAOYSA-N",358176,NA,"PDBC20610","617989","Present",NA,NA
+"20611","3-Demethyl-3-butyrylthiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Demethyl-3-butyrylthiocolchicine",NA,"CCCC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC","NXMUVIPICRBKOW-UHFFFAOYSA-N",379108,NA,"PDBC20611","663322","Present",NA,NA
+"20612","3-Demethyl-3-ethoxycarbonylthiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Demethyl-3-ethoxycarbonylthiocolchicine",NA,"CCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC","LDZKAGVVCFBEMQ-UHFFFAOYSA-N",379107,NA,"PDBC20612","663321","Present",NA,NA
+"20613","3-Demethylcolchicine glucoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624672",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O","UXAFRQPVHYZDED-LYNOBXBUSA-N",6711380,NA,"PDBC20613","624672","Present",NA,NA
+"20614","3-Deoxy-3-homo-3-aza-allobetuline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Deoxy-3-homo-3-aza-allobetuline",NA,"CC1(CCC23CCC4(C(C2C1OC3)CCC5C4(CCC6C5(CCCNC6(C)C)C)C)C)C","GWYRRAMNYUIBCP-FCUUOACXSA-N",155808517,NA,"PDBC20614","797792","Present",NA,NA
+"20615","3-Deoxyestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-deoxyestradiol",NA,"CC12CCC3C(C1CCC2O)CCC4=CC=CC=C34","MUENRDYXOADTOC-ZBRFXRBCSA-N",228944,NA,"PDBC20615","22194","Present",NA,NA
+"20616","3-Desmethylcolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-desmethylcolchicine",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)O","JRRUSQGIRBEMRN-HNNXBMFYSA-N",299664,NA,"PDBC20616","172946","Present",NA,NA
+"20617","3-Diazoacetyl-2-oxo-1-phenylpyrrolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-1-(2-oxo-1-phenylpyrrolidin-3-yl)ethenolate",NA,"C1CN(C(=O)C1C(=O)C=[N+]=[N-])C2=CC=CC=C2","FSRWUQGEVMLKDK-UHFFFAOYSA-N",379164,NA,"PDBC20617","663577","Present",NA,NA
+"20618","3-Dibenzofuran-2-ylpropan-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC89110",NA,"C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)CCCN.Cl","RXDPWZFOACYHDS-UHFFFAOYSA-N",24189402,NA,"PDBC20618","89110","Present",NA,NA
+"20619","3-Diethoxyphosphoryl-5-methyl-tetrahydrofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Diethoxyphosphoryl-5-methyl-tetrahydrofuran-2-one",NA,"CCOP(=O)(C1CC(OC1=O)C)OCC","OMDRJFRRFUFZOJ-UHFFFAOYSA-N",364161,NA,"PDBC20619","629861","Present",NA,NA
+"20620","3-Diethoxyphosphoryloxepan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Diethoxyphosphoryloxepan-2-one",NA,"CCOP(=O)(C1CCCCOC1=O)OCC","NFCOPOOIZJQDFG-UHFFFAOYSA-N",364163,NA,"PDBC20620","629863","Present",NA,NA
+"20621","3-Diethylaminomethylene-1,5-diphenyl-pyrrolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Diethylaminomethylene-1,5-diphenyl-pyrrolidine-2,4-dione",NA,"CCN(CC)C=C1C(=O)C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3","PMPGPTXYPGZLSW-SDXDJHTJSA-N",3003590,NA,"PDBC20621","663783","Present",NA,NA
+"20622","3-Diethylphosphono-6-hydroxycoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Diethylphosphono-6-hydroxycoumarin",NA,"CCOP(=O)(C1=CC2=C(C=CC(=C2)O)OC1=O)OCC","UTDNFPGHLMHWTI-UHFFFAOYSA-N",378257,NA,"PDBC20622","660150","Present",NA,NA
+"20623","3-Dihydro-11-H-13-Se-phenyl-grosheimin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-dihydro-11-H-13-Se-phenyl-grosheimin",NA,"CC1C(CC2C1C3C(C(CC2=C)O)C(C(=O)O3)C[Se]C4=CC=CC=C4)O","GABZCNHHQVXIDF-VDZMJTJWSA-N",359198,NA,"PDBC20623","619902","Present",NA,NA
+"20624","3-Diisopropoxyphosphoryl-1-(4-nitrophenyl)-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL322832",NA,"CC(C)OP(=O)(C1=NN(C=N1)C2=CC=C(C=C2)[N+](=O)[O-])OC(C)C","OATAHRIDEFAELC-UHFFFAOYSA-N",374416,NA,"PDBC20624","652127","Present",NA,NA
+"20625","3-Diisopropoxyphosphoryl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Diisopropoxyphosphoryl-1-(4-nitrophenyl)-5-phenyl-1,2,4-triazole",NA,"CC(C)OP(=O)(C1=NN(C(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])OC(C)C","UPXBTFNHXFWZBI-UHFFFAOYSA-N",374417,NA,"PDBC20625","652128","Present",NA,NA
+"20626","3-Dimethoxyphosphoryl-2-dimethoxyphosphorylcarbonyl-5-methyl-1-(4-nitrophenyl)-3-[2-(4-nitrophenyl)hydrazino]-1,2,4-triazinan-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Dimethoxyphosphoryl-2-dimethoxyphosphorylcarbonyl-5-methyl-1-(4-nitrophenyl)-3-[2-(4-nitrophenyl)hydrazinyl]-1,2,4-triazinan-6-one",NA,"CC1C(=O)N(N(C(N1)(NNC2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC)OC)C(=O)P(=O)(OC)OC)C3=CC=C(C=C3)[N+](=O)[O-]","FEHYWTBLIWHZHQ-UHFFFAOYSA-N",5096099,NA,"PDBC20626","652135","Present",NA,NA
+"20627","3-Dimethylamino-2-phenylpropiophenone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Dimethylamino-.alpha.-phenylpropiophenone hydroch...",NA,"CN(C)CC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2.Cl","BLOKTSBTOMCITO-UHFFFAOYSA-N",91378,NA,"PDBC20627","33548","Present",NA,NA
+"20628","3-Dimethylaminopropyl cyclohexyl(1-propynyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-56874",NA,"CC#CC(C1CCCCC1)(C(=O)OCCCN(C)C)O","TZFUGGVANCSYFO-UHFFFAOYSA-N",380288,NA,"PDBC20628","665768","Present",NA,NA
+"20629","3-Dimethylcarbamimidoyl-1,1-dimethyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Dimethylcarbamimidoyl-1,1-dimethyl-thiourea",NA,"CN(C)C(=NC(=S)N(C)C)N","DWZODODCYURGCP-UHFFFAOYSA-N",9569877,NA,"PDBC20629","622659","Present",NA,NA
+"20630","3-Diphenylboranyloxy-1,2-dimethyl-pyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Diphenylboranyloxy-1,2-dimethyl-pyridin-4-one",NA,NA,NA,NA,NA,"PDBC20630","627775","Present",NA,NA
+"20631","3-Diphenylboranyloxy-2-methyl-1H-pyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Diphenylboranyloxy-2-methyl-1H-pyridin-4-one",NA,NA,NA,NA,NA,"PDBC20631","627774","Present",NA,NA
+"20632","3-Dipropylarsanylsulfanylpropane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(dipropylarsino)-3-mercapto-1,2-propanediol",NA,"CCC[As](CCC)SCC(CO)O","PITSAYCDYJYBJS-UHFFFAOYSA-N",406477,NA,"PDBC20632","724598","Present",NA,NA
+"20633","3-Dodecanoyl-4-hydroxy-6-methyl-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Dodecanoyl-4-hydroxy-6-methyl-pyran-2-one",NA,"CCCCCCCCCCCC(=O)C1=C(C=C(OC1=O)C)O","LTADLMJNGHICOX-UHFFFAOYSA-N",54695445,NA,"PDBC20633","610687","Present",NA,NA
+"20634","3-Dodecyl-2-[(1E,3Z)-3-(3-dodecyl-4-methyl-1,3-thiazol-2(3H)-ylidene)prop-1-en-1-yl]-4-methyl-1,3-thiazol-3-ium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolium, 3-dodecyl-2-[3-(3-dodecyl-4-methyl-2(3H)-thi...",NA,"CCCCCCCCCCCCN1C(=CSC1=CC=CC2=[N+](C(=CS2)C)CCCCCCCCCCCC)C.[I-]","OHKPRPRZEFEPLM-UHFFFAOYSA-M",54607442,NA,"PDBC20634","290161","Present",NA,NA
+"20635","3-Dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecyl-2-thienyl)-2-thienyl]-2-thienyl]-2-thienyl]-2-[5-[5-(3-dodecyl-2-thienyl)-2-thienyl]-2-thienyl]thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Dodecyl-5-[4-dodecyl-5-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-2-[5-[5-(3-dodecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene",NA,"CCCCCCCCCCCCC1=C(SC=C1)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=C(S4)C5=CC(=C(S5)C6=CC=C(S6)C7=CC=C(S7)C8=C(C=CS8)CCCCCCCCCCCC)CCCCCCCCCCCC)CCCCCCCCCCCC","CHALGSZHEKMIFE-UHFFFAOYSA-N",389752,NA,"PDBC20635","686348","Present",NA,NA
+"20636","3-Epi-Elisabanolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-epi-Elisabanolide",NA,"CC1CCC2C(CC3C2(C1=O)C(=O)C4(C3C(OC4=O)(C)C)C)C","LUSIDMIZRMEVBC-IFEIQORVSA-N",10615518,NA,"PDBC20636","734920","Present",NA,NA
+"20637","3-Epimacronine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Epimacronine",NA,"CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(=O)O2)OCO5","YEISBJOTHHFANE-NJVUAGGXSA-N",375117,NA,"PDBC20637","654241","Present",NA,NA
+"20638","3-Ethoxy-1-isoindolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-967/15488241",NA,"CCOC1C2=CC=CC=C2C(=O)N1","GRVRISZZPGQITQ-UHFFFAOYSA-N",378324,NA,"PDBC20638","660333","Present",NA,NA
+"20639","3-Ethoxycarbonyl-N-trifluoroacetylthiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethoxycarbonyl-N-trifluoroacetylthiocolchicine",NA,"CCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C(F)(F)F)OC)OC","GARIEDXBHKTNKL-UHFFFAOYSA-N",379109,NA,"PDBC20639","663323","Present",NA,NA
+"20640","3-Ethyl-1-(p-tolylsulfonyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-1-(p-tolylsulfonyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole 5,5-dioxide",NA,"CCC1=NN(C2=C1CS(=O)(=O)CC2)S(=O)(=O)C3=CC=C(C=C3)C","ZNPSDLALNKGEQY-UHFFFAOYSA-N",395047,NA,"PDBC20640","699231","Present",NA,NA
+"20641","3-Ethyl-1-azabicyclo[2.2.2]octane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-1-azabicyclo[2.2.2]octane",NA,"CCC1CN2CCC1CC2","FLUIXHDAPSRKHQ-UHFFFAOYSA-N",359210,NA,"PDBC20641","619919","Present",NA,NA
+"20642","3-Ethyl-1-hydroxynaphtho[2',3':4,5]furo[2,3-c]pyridine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-1-hydroxynaphtho[2',3':4,5]furo[2,3-c]pyridine-4-carboxylic acid",NA,"CCC1=C(C2=C(C(=O)N1)OC3=CC4=CC=CC=C4C=C32)C(=O)O","YMEIBEYKNUUBDD-UHFFFAOYSA-N",378987,NA,"PDBC20642","662579","Present",NA,NA
+"20643","3-Ethyl-1-methyl-2-propylquinolin-4(1H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766427",NA,"CCCC1=C(C(=N)C2=CC=CC=C2N1C)CC","JAPBALWUJAIERZ-UHFFFAOYSA-N",659146,NA,"PDBC20643","766427","Present",NA,NA
+"20644","3-Ethyl-2,7-dimethyl[1]benzofuro[2,3-c]pyridin-1(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-2,7-dimethyl[1]benzofuro[2,3-c]pyridin-1(2H)-one",NA,"CCC1=CC2=C(C(=O)N1C)OC3=C2C=CC(=C3)C","UKYZEQCRLDTMPY-UHFFFAOYSA-N",378993,NA,"PDBC20644","662585","Present",NA,NA
+"20645","3-Ethyl-2-((4-methylphenyl)sulfonyl)-2-azabicyclo[2.2.2]oct-5-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-2-((4-methylphenyl)sulfonyl)-2-azabicyclo[2.2.2]oct-5-ene",NA,"CCC1C2CCC(N1S(=O)(=O)C3=CC=C(C=C3)C)C=C2","VUNDHLBRNALYJS-UHFFFAOYSA-N",364718,NA,"PDBC20645","631376","Present",NA,NA
+"20646","3-Ethyl-2-imino-[1,3,5]thiadiazino[3,2-a]benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-2-imino-[1,3,5]thiadiazino[3,2-a]benzimidazol-4-one",NA,"CCN1C(=N)SC2=NC3=CC=CC=C3N2C1=O","SQVAJZQVSQNTQC-UHFFFAOYSA-N",353111,NA,"PDBC20646","600269","Present",NA,NA
+"20647","3-Ethyl-2-methyl-1,5,6,7-tetrahydro-4H-indol-4-one (3-ethyl-2-methyl-1,5,6,7-tetrahydro-4H-indol-4-ylidene)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-Ethyl-N-[(E)-(3-ethyl-2-methyl-1,5,6,7-tetrahydroindol-4-ylidene)amino]-2-methyl-1,5,6,7-tetrahydroindol-4-imine",NA,"CCC1=C(NC2=C1C(=NN=C3CCCC4=C3C(=C(N4)C)CC)CCC2)C","YIRVPPMRSJQVBD-FQHZWJPGSA-N",135429982,NA,"PDBC20647","629808","Present",NA,NA
+"20648","3-Ethyl-2-methyl-3H-[1,2,4]triazino[6,1-b]quinazoline-4,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-2-methyl-3H-[1,2,4]triazino[6,1-b]quinazoline-4,10-dione",NA,"CCN1C(=NN2C(=NC3=CC=CC=C3C2=O)C1=O)C","BWBUQQDZYNCYJK-UHFFFAOYSA-N",370450,NA,"PDBC20648","643546","Present",NA,NA
+"20649","3-Ethyl-2-methyl-3a,9a-dihydrobenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-2-methyl-3a,9a-dihydro-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CCN1C2C(C(=O)C3=CC=CC=C3C2=O)N=C1C","HXAKIKRBEUKEFI-UHFFFAOYSA-N",373181,NA,"PDBC20649","649130","Present",NA,NA
+"20650","3-Ethyl-3-nitropentane-1,5-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680507",NA,"CCC(CCN)(CCN)[N+](=O)[O-].Cl","QJNCBBFMFGHGEI-UHFFFAOYSA-N",387111,NA,"PDBC20650","680507","Present",NA,NA
+"20651","3-Ethyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1CCO","JOJJQFJYTCCDLE-UHFFFAOYSA-N",389497,NA,"PDBC20651","685783","Present",NA,NA
+"20652","3-Ethyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1N=CC2=C(C=CC3=CC=CC=C32)O","XUKUKFOUKQSITG-CXUHLZMHSA-N",135493982,NA,"PDBC20652","687209","Present",NA,NA
+"20653","3-Ethyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-[(E)-(2-hydroxyphenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1N=CC2=CC=CC=C2O","SIGSHOBINRFVAZ-KPKJPENVSA-N",135505140,NA,"PDBC20653","687208","Present",NA,NA
+"20654","3-Ethyl-4-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-[(E)-1-(4-nitrophenyl)ethylideneamino]-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1N=C(C)C2=CC=C(C=C2)[N+](=O)[O-]","BEBDRRHWAQIOIW-OVCLIPMQSA-N",9572170,NA,"PDBC20654","706413","Present",NA,NA
+"20655","3-Ethyl-4-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-[(E)-1-phenylethylideneamino]-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1N=C(C)C2=CC=CC=C2","DMEXIJZPEXEDEJ-OQLLNIDSSA-N",5502892,NA,"PDBC20655","706411","Present",NA,NA
+"20656","3-Ethyl-4-[(E)-[4-[(E)-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-[(E)-[4-[(E)-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1N=CC2=CC=C(C=C2)C=NN3C(=NNC3=O)CC","SSVDUAOPDHZHAW-BEQMOXJMSA-N",54611477,NA,"PDBC20656","706418","Present",NA,NA
+"20657","3-Ethyl-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-[(E)-[5-(4-nitrophenyl)-2-furyl]methyleneamino]-1H-1,2,4-triazole-5-thione",NA,"CCC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]","PMXWOBPRURIZSU-CXUHLZMHSA-N",9570062,NA,"PDBC20657","638049","Present",NA,NA
+"20658","3-Ethyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-[(E)-p-tolylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1N=CC2=CC=C(C=C2)C","VEOAWUOCQUFUTB-MDWZMJQESA-N",9556228,NA,"PDBC20658","680863","Present",NA,NA
+"20659","3-Ethyl-4-[12-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)dodecyl]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-[12-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)dodecyl]-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1CCCCCCCCCCCCN2C(=NNC2=O)CC","AQNDBNVYIAGBKV-UHFFFAOYSA-N",387571,NA,"PDBC20659","681528","Present",NA,NA
+"20660","3-Ethyl-4-[8-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)octyl]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-[8-(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)octyl]-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1CCCCCCCCN2C(=NNC2=O)CC","HHFKWGKKTALDNW-UHFFFAOYSA-N",387570,NA,"PDBC20660","681527","Present",NA,NA
+"20661","3-Ethyl-4-hydroxy-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-4-hydroxy-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1O","DLKVZLSWJCDUCC-UHFFFAOYSA-N",387261,NA,"PDBC20661","680857","Present",NA,NA
+"20662","3-Ethyl-5,8-dimethoxy-1-propyl-3,4-dihydro-1H-naphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-5,8-dimethoxy-1-propyl-3,4-dihydro-1H-naphthalen-2-one",NA,"CCCC1C(=O)C(CC2=C(C=CC(=C12)OC)OC)CC","MCWXWQDNMMQRJM-UHFFFAOYSA-N",359520,NA,"PDBC20662","620503","Present",NA,NA
+"20663","3-Ethyl-5-methylindolizidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QTKAOBFOSUKTSE-UHFFFAOYSA-N",NA,"CCC1CCC2N1C(CCC2)C","QTKAOBFOSUKTSE-UHFFFAOYSA-N",370508,NA,"PDBC20663","643729","Present",NA,NA
+"20664","3-Ethyl-6-[5-(2-nitrophenyl)furan-2-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-6-[5-(2-nitrophenyl)furan-2-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole",NA,"CCC1=NN=C2N1N=C(S2)C3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]","HETGDUMQAZVRKI-UHFFFAOYSA-N",399718,NA,"PDBC20664","710764","Present",NA,NA
+"20665","3-Ethyl-6-fluoro-2-quinoxalinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-6-fluoro-2-quinoxalinol",NA,"CCC1=NC2=C(C=CC(=C2)F)NC1=O","RWOJJWCVYVCXSN-UHFFFAOYSA-N",389438,NA,"PDBC20665","685520","Present",NA,NA
+"20666","3-Ethyl-6-hydroxy-3,12-dimethyl-pyrano[2,3-c]acridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-6-hydroxy-3,12-dimethyl-pyrano[2,3-c]acridin-7-one",NA,"CCC1(C=CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)C","YBQWDYCLMNKQGB-UHFFFAOYSA-N",5465788,NA,"PDBC20666","662130","Present",NA,NA
+"20667","3-Ethyl-6-methoxy-3,12-dimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-6-methoxy-3,12-dimethyl-3,12-dihydro-7H-pyrano[2,3-c]acridin-7-one",NA,"CCC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C","PKUQXCJIJWWZFK-UHFFFAOYSA-N",378813,NA,"PDBC20667","662131","Present",NA,NA
+"20668","3-Ethyl-7-(trifluoromethyl)quinoxalin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-7-(trifluoromethyl)quinoxalin-2-ol",NA,"CCC1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O","ACSPKHXQZGBQGL-UHFFFAOYSA-N",389437,NA,"PDBC20668","685519","Present",NA,NA
+"20669","3-Ethyl-7-hydroxy-6-[2-imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]-4,8-dimethylchromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-ethyl-7-hydroxy-6-(2-imino-4-(4-methoxyphenyl)thiazol-...",NA,"CCC1=C(C2=CC(=C(C(=C2OC1=O)C)O)N3C(=CSC3=N)C4=CC=C(C=C4)OC)C","ZXDPAHWKHDXZAY-UHFFFAOYSA-N",155816508,NA,"PDBC20669","793897","Present",NA,NA
+"20670","3-Ethyl-9,10-dimethoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethyl-9,10-dimethoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-4,6,7,11b-tetrahydro-1H-benzo[a]quinolizine;hydrobromide///NSC134754",NA,"CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC=CC=C5CCN4.Br","LYAPWXJZNZBLBH-UHFFFAOYSA-N",54604246,NA,"PDBC20670","134753///134754","Present",NA,NA
+"20671","3-Ethylcholanthrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-ethylcholanthrene",NA,"CCC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1","NZZUNDKOLHKMCK-UHFFFAOYSA-N",95723,NA,"PDBC20671","30979","Present",NA,NA
+"20672","3-Ethylnaphtho[2',3':4,5]furo[2,3-c]pyridin-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethylnaphtho[2',3':4,5]furo[2,3-c]pyridin-1-ol",NA,"CCC1=CC2=C(C(=O)N1)OC3=CC4=CC=CC=C4C=C32","DQIQNDMRJTXGMP-UHFFFAOYSA-N",378986,NA,"PDBC20672","662578","Present",NA,NA
+"20673","3-Ethylpyrazolium-trans-tetrachlorobis-3- ethylpyrazoler...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethylpyrazolium-trans-tetrachlorobis-3- ethylpyrazoler...",NA,NA,NA,NA,NA,"PDBC20673","630127","Present",NA,NA
+"20674","3-Ethylpyrimidinium-trans-tetrachlorobis(3-ethylpyridine...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethylpyrimidinium-trans-tetrachlorobis(3-ethylpyridine...",NA,NA,NA,NA,NA,"PDBC20674","630115","Present",NA,NA
+"20675","3-Ethylsulfanyl-1,1-diphenyl-2-benzothiophen-3-ylium tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethylsulfanyl-1,1-diphenyl-2-benzothiophen-3-ylium tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC20675","659467","Present",NA,NA
+"20676","3-Ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5,10-dihydrobenzo[g]quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethylsulfanyl-1-[(4-methoxyphenyl)methyl]-4-methyl-5,10-dihydrobenzo[g]quinolin-2-one",NA,"CCSC1=C(C2=C(CC3=CC=CC=C3C2)N(C1=O)CC4=CC=C(C=C4)OC)C","AXVJIKRFOIRHKR-UHFFFAOYSA-N",397435,NA,"PDBC20676","705293","Present",NA,NA
+"20677","3-Ethylsulfanyl-7-phenyl-5H-pyrazolo[3,4-e][1,2,4]triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethylsulfanyl-7-phenyl-5H-pyrazolo[3,4-e][1,2,4]triazine",NA,"CCSC1=NC2=C(C(=NN2)C3=CC=CC=C3)N=N1","HJQXAZAXZKVKPB-UHFFFAOYSA-N",6711507,NA,"PDBC20677","629486","Present",NA,NA
+"20678","3-Ethylsulfanyl-N,N-bis(3-ethylsulfanylpropyl)propan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ethylsulfanyl-N,N-bis(3-ethylsulfanylpropyl)propan-1-amine",NA,"CCSCCCN(CCCSCC)CCCSCC","ZIDLCNFPTORJAZ-UHFFFAOYSA-N",373738,NA,"PDBC20678","650637","Present",NA,NA
+"20679","3-Ferrocenylpropionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Ferrocenylpropionic acid",NA,NA,NA,NA,NA,"PDBC20679","608976","Present",NA,NA
+"20680","3-Fluoro-1,2-phenylene bis(3-hydroxybenzoate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WZB117",NA,"C1=CC(=CC(=C1)O)C(=O)OC2=C(C(=CC=C2)F)OC(=O)C3=CC(=CC=C3)O","FRSWCCBXIHFKKY-UHFFFAOYSA-N",46830365,NA,"PDBC20680","750937","Present",NA,NA
+"20681","3-Fluoro-1-adamantanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Fluoro-1-adamantanecarboxamide",NA,"C1C2CC3(CC1CC(C2)(C3)F)C(=O)N","FDBCIAOKTXUPKU-UHFFFAOYSA-N",371824,NA,"PDBC20681","646341","Present",NA,NA
+"20682","3-Fluoro-2-(naphthalen-2-ylcarbonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC171259",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(C=CC=C3F)C(=O)O","NMIQJZPPFGDGRR-UHFFFAOYSA-N",282459,NA,"PDBC20682","171259","Present",NA,NA
+"20683","3-Fluoro-5a,6-dihydrochromeno[2,3-b]indol-11-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Fluoro-5a,6-dihydrochromeno[2,3-b]indol-11-ol",NA,"C1=CC=C2C(=C1)C3=C(C4=C(C=C(C=C4)F)OC3N2)O","IGNRBEGJYUHUPX-UHFFFAOYSA-N",397743,NA,"PDBC20683","706166","Present",NA,NA
+"20684","3-Fluoro-6-[3-[(2-hydroxyethyl)amino]propyl]-5H-[1,3]dioxolo[5,6]indeno[1,2-c]isoquinoline-5,12(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-6-(3-((2-hydroxyethyl)amino)propyl)-5H-[1,3]dio...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)F)C(=O)N4CCCNCCO","YFHMWOJCGJARKT-UHFFFAOYSA-N",122484905,NA,"PDBC20684","781517","Present",NA,NA
+"20685","3-Fluoro-N-[3-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-N-(3-((4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyraz...",NA,"COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCCNS(=O)(=O)C4=CC=CC(=C4)F)C5=CC=CC=C5","ATESBWWGIDMHLN-UHFFFAOYSA-N",155810995,NA,"PDBC20685","783553","Present",NA,NA
+"20686","3-Fluoroadamantane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-14971",NA,"C1C2CC3(CC1CC(C2)(C3)F)C(=O)O","SJULXDNAWKQQEV-UHFFFAOYSA-N",13431,NA,"PDBC20686","646340","Present",NA,NA
+"20687","3-Fluorobenzaldehydeisonicotinoylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(1E)-(3-Fluorophenyl)methylene]isonicotinohydrazide",NA,"C1=CC(=CC(=C1)F)C=NNC(=O)C2=CC=NC=C2","IRBHNKPBXBJIAJ-CXUHLZMHSA-N",6791533,NA,"PDBC20687","624738","Present",NA,NA
+"20688","3-Formyl-5,6-dimethyl-1H-indazole-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Formyl-5,6-dimethyl-1H-indazole-7-carbonitrile",NA,"CC1=CC2=C(NN=C2C(=C1C)C#N)C=O","CSGNFEGYYYRZJU-UHFFFAOYSA-N",364122,NA,"PDBC20688","629791","Present",NA,NA
+"20689","3-Formyl-8,8-dimethylbicyclo[3.2.1]octan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Formyl-8,8-dimethylbicyclo[3.2.1]octan-2-one",NA,"CC1(C2CCC1C(=O)C(C2)C=O)C","LNGFSNVHOAMMOV-UHFFFAOYSA-N",376778,NA,"PDBC20689","657838","Present",NA,NA
+"20690","3-Formylrifamycin SV O-(diphenylmethyl)oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AF 05",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NOC(C5=CC=CC=C5)C6=CC=CC=C6)C","ZGOGYVJXKPGNCZ-ZIRMBHETSA-N",135545718,NA,"PDBC20690","143471","Present",NA,NA
+"20691","3-Formylrifamycin SV O-octyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AF 013",NA,"CCCCCCCCON=CC1=C2C(=C3C(=C1O)C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)N2)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","DTEDDHSJILGOKQ-IRYZJJILSA-N",135534679,NA,"PDBC20691","143483","Present",NA,NA
+"20692","3-Furancarbothioamide, N-(4-chloro-3-((1,1-dimethylethoxy)methyl)phenyl)-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Furancarboxamide, N-[4-chloro-3-[(1,1-dimethyl ethoxy)...",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)COC(C)(C)C","CMBPPBPDHAZOMK-UHFFFAOYSA-N",3000947,NA,"PDBC20692","645124","Present",NA,NA
+"20693","3-Furancarbothioamide, N-(4-methoxy-3-(2-propenyloxy)phenyl)-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Furancarbothioamide, N-[4-methoxy-3-(2-propenyloxy) ph...",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)OC)OCC=C","MEAQEWKWEUTTNV-UHFFFAOYSA-N",3000889,NA,"PDBC20693","650064","Present",NA,NA
+"20694","3-Furancarbothioamide, [[3-(2-butenoxy)-4-methoxyphenyl]-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Furancarbothioamide, [[3-(2-butenoxy)-4-methoxyphenyl]...",NA,"CC=CCOC1=C(C=CC(=C1)NC(=S)C2=C(OC=C2)C)OC","QGAMPXMFWLQPFR-SNAWJCMRSA-N",5917193,NA,"PDBC20694","650065","Present",NA,NA
+"20695","3-Genistein-8-C-glucoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Genistein-8-C-glucoside",NA,"C1=CC(=CC=C1C2=COC3=C(C2=O)C(=CC(=C3C4C(C(C(C(O4)CO)O)O)O)O)O)O","HIWJJOYYZFELEZ-UHFFFAOYSA-N",5472471,NA,"PDBC20695","719159","Present",NA,NA
+"20696","3-Glc-Glc, 28-Ara-Rha-Xyl medicagenic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Glc-Glc, 28-Ara-Rha-Xyl medicagenic acid",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)COC9C(C(C(C(O9)CO)O)O)O)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O","DCYZCKREPYMGOG-AHMKISQGSA-N",6711870,NA,"PDBC20696","645590","Present",NA,NA
+"20697","3-GlcA, 28-Ara-Rha-Xyl medicagenic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-GlcA, 28-Ara-Rha-Xyl medicagenic acid",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4)C)(CCC7C6(CC(C(C7(C)C(=O)O)OC8C(C(C(C(O8)CO)O)O)N)O)C)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O","RCKIBKSEWLGMBT-LFYBZWAXSA-N",6711869,NA,"PDBC20697","645589","Present",NA,NA
+"20698","3-HYDROXY-3-(4-PYRIDYL)PROPIOPHENONE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-HYDROXY-3-(4-PYRIDYL)PROPIOPHENONE",NA,"C1=CC=C(C=C1)C(=O)CC(C2=CC=NC=C2)O","GMYRGNADPRBJJK-UHFFFAOYSA-N",219450,NA,"PDBC20698","796","Present",NA,NA
+"20699","3-Hexenediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Hydromuconamide",NA,"C(C=CCC(=O)N)C(=O)N","MQNQJAWLPVZCKN-OWOJBTEDSA-N",5458982,NA,"PDBC20699","516382","Present",NA,NA
+"20700","3-Hexenedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-.beta.-Hydromuconic acid",NA,"C(C=CCC(=O)O)C(=O)O","YHGNXQAFNHCBTK-OWOJBTEDSA-N",5351896,NA,"PDBC20700","84221","Present",NA,NA
+"20701","3-Hexyl-5-methyloctahydroindolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hexyl-5-methyloctahydroindolizine",NA,"CCCCCCC1CCC2N1C(CCC2)C","FXVLYQQDXQNTHV-UHFFFAOYSA-N",370509,NA,"PDBC20701","643730","Present",NA,NA
+"20702","3-Hydrazino-N-(2-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BB 0243165",NA,"COC1=CC=CC=C1NC(=O)CC(=O)NN","DITYLVOVXJXGLN-UHFFFAOYSA-N",385914,NA,"PDBC20702","677376","Present",NA,NA
+"20703","3-Hydrazino-N-(4-((4-((3-hydrazino-3-oxopropanoyl)amino)phenyl)sulfonyl)phenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydrazino-N-(4-((4-((3-hydrazino-3-oxopropanoyl)amino)phenyl)sulfonyl)phenyl)-3-oxopropanamide",NA,"C1=CC(=CC=C1NC(=O)CC(=O)NN)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CC(=O)NN","QRIYXFZYKFSAOR-UHFFFAOYSA-N",389698,NA,"PDBC20703","686242","Present",NA,NA
+"20704","3-Hydrazinyl-4H-1,2,4-triazol-4-amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC166130",NA,"C1=NN=C(N1N)NN.Cl","QSNKDYVIRQPVMY-UHFFFAOYSA-N",51051846,NA,"PDBC20704","166130","Present",NA,NA
+"20705","3-Hydrazinyl-N-(3-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK497580",NA,"COC1=CC=CC(=C1)NC(=O)CC(=O)NN","LYWRJHUYQBWTGK-UHFFFAOYSA-N",385915,NA,"PDBC20705","677377","Present",NA,NA
+"20706","3-Hydrazinyl-N-(4-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK498032",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)NN","DYDLQRQMRISETI-UHFFFAOYSA-N",385916,NA,"PDBC20706","677378","Present",NA,NA
+"20707","3-Hydrazono-3H-indol-2-yl 3-chlorophenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydrazono-3H-indol-2-yl 3-chlorophenylcarbamate",NA,"C1=CC=C2C(=C1)C(=C(N2)OC(=O)NC3=CC(=CC=C3)Cl)N=N","RFMBRBHUXHXBEM-UHFFFAOYSA-N",330946,NA,"PDBC20707","320852","Present",NA,NA
+"20708","3-Hydrazono-3H-indol-2-yl phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydrazono-3H-indol-2-yl phenylcarbamate",NA,"C1=CC=C(C=C1)NC(=O)OC2=C(C3=CC=CC=C3N2)N=N","QTEGQYSEWHDRHU-UHFFFAOYSA-N",332363,NA,"PDBC20708","329070","Present",NA,NA
+"20709","3-Hydroxy-1,10-dimethylacridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-1,10-dimethylacridin-9-one",NA,"CC1=CC(=CC2=C1C(=O)C3=CC=CC=C3N2C)O","VLBQIHNGBSEGKV-UHFFFAOYSA-N",5386484,NA,"PDBC20709","611701","Present",NA,NA
+"20710","3-Hydroxy-1,3-diphenyl-2,3,3a,10a-tetrahydrocyclopenta[c][1]benzazepine-4,10(1H,5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-1,3-diphenyl-2,3,3a,10a-tetrahydrocyclopenta[c][1]benzazepine-4,10(1H,5H)-dione",NA,"C1C(C2C(C1(C3=CC=CC=C3)O)C(=O)NC4=CC=CC=C4C2=O)C5=CC=CC=C5","UZEGZIRZTKQDJC-UHFFFAOYSA-N",381187,NA,"PDBC20710","667518","Present",NA,NA
+"20711","3-Hydroxy-1-(2-hydroxyethyl)-2-methylpyridin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Pyridinone, 3-hydroxy-1-(2-hydroxyethyl)-2-methyl-",NA,"CC1=C(C(=O)C=CN1CCO)O","ZJDRWNJIMXVJQG-UHFFFAOYSA-N",94414,NA,"PDBC20711","353638","Present",NA,NA
+"20712","3-Hydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Hydroxy-3-methoxyphenyl)-3-hydroxy-2-(2-methoxyphen...",NA,"COC1=CC=CC=C1OC(CO)C(=O)C2=CC(=C(C=C2)O)OC","BUJCVBRLTBAYCW-UHFFFAOYSA-N",369618,NA,"PDBC20712","641529","Present",NA,NA
+"20713","3-Hydroxy-1-(4-hydroxy-5-methyl-2-oxo-2H-1-benzopyran-3-yl)-3-methylbutan-2-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-1-(4-hydroxy-5-methyl-2-oxo-2H-1-benzopyran-3-yl)-3-methylbutan-2-yl acetate",NA,"CC1=C2C(=CC=C1)OC(=O)C(=C2O)CC(C(C)(C)O)OC(=O)C","OQCKBRDJMIBKJT-UHFFFAOYSA-N",54681653,NA,"PDBC20713","666102","Present",NA,NA
+"20714","3-Hydroxy-1-[2-(1H-indol-3-yl)ethyl]-2-methylpyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-1-[2-(1h-indol-3-yl)ethyl]-2-methylpyridin-4(1h)-one",NA,"CC1=C(C(=O)C=CN1CCC2=CNC3=CC=CC=C32)O","PDRMLQUZIPZYNJ-UHFFFAOYSA-N",404685,NA,"PDBC20714","721124","Present",NA,NA
+"20715","3-Hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-methylpyridin-4(1h)-one",NA,"CC1=C(C(=O)C=CN1CCC2=CC=C(C=C2)O)O","OKMOMGQUUUJZAH-UHFFFAOYSA-N",404687,NA,"PDBC20715","721126","Present",NA,NA
+"20716","3-Hydroxy-1-methyl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-1-methyl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one",NA,"CN1C(CC(C1=O)O)C2=CC=CC=C2C(F)(F)F","IKIUFKHZYWSXDN-UHFFFAOYSA-N",389893,NA,"PDBC20716","686529","Present",NA,NA
+"20717","3-Hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one",NA,"CN1C(CC(C1=O)O)C2=CC(=CC=C2)C(F)(F)F","QJKDAUDCBYTNLA-UHFFFAOYSA-N",389894,NA,"PDBC20717","686530","Present",NA,NA
+"20718","3-Hydroxy-1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-1-methyl-5-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one",NA,"CN1C(CC(C1=O)O)C2=CC=C(C=C2)C(F)(F)F","OFYLBFGHWLJHGD-UHFFFAOYSA-N",389895,NA,"PDBC20718","686531","Present",NA,NA
+"20719","3-Hydroxy-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)NC3=C(C(=CC(=O)N23)O)C#N","YAQRUNWOGJVLEW-UHFFFAOYSA-N",54681630,NA,"PDBC20719","659482","Present",NA,NA
+"20720","3-Hydroxy-1-oxo-2-((2-pyrimidinylimino)methyl)-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-1-oxo-2-((2-pyrimidinylimino)methyl)-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)NC3=C(C(=C(C(=O)N23)C=NC4=NC=CC=N4)O)C#N","QYTLWFUJWBQAMW-ZVBGSRNCSA-N",135499413,NA,"PDBC20720","659487","Present",NA,NA
+"20721","3-Hydroxy-1-pent-4-enoyl-2-styryl-2,3-dihydropyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-1-pent-4-enoyl-2-styryl-2,3-dihydropyridin-4(1...",NA,"C=CCCC(=O)N1C=CC(=O)C(C1C=CC2=CC=CC=C2)O","GKUUOQZOWCUQPE-WAEFQUTISA-N",54613209,NA,"PDBC20721","750007","Present",NA,NA
+"20722","3-Hydroxy-1-pentofuranosylpyridin-2(1H)-one--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxypyridin-2-one;hydrochloride",NA,"C1=CN(C(=O)C(=C1)O)C2C(C(C(O2)CO)O)O.Cl","KIQFCOYKMVTABG-UHFFFAOYSA-N",24200115,NA,"PDBC20722","359265","Present",NA,NA
+"20723","3-Hydroxy-10-fluoro-5.6-dihydro-6-imino-isoindolo[2,1a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-10-fluoro-5.6-dihydro-6-imino-isoindolo[2,1a]q...",NA,"C1=CC2=C3C(=NC4=C(N3C=C2C(=C1)F)C=CC(=C4)O)N","HIGXPJTZQHKUND-UHFFFAOYSA-N",60147954,NA,"PDBC20723","753221","Present",NA,NA
+"20724","3-Hydroxy-12-isopropylpodocarpa-8,13-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-12-isopropylpodocarpa-8,11,13-triene",NA,"CC1CCC2(C(C1(C)C)CCC3=C2C=C(C=C3)C(C)C)C","NDHKDVPCEWFXSW-NIGAHDQZSA-N",405047,NA,"PDBC20724","721891","Present",NA,NA
+"20725","3-Hydroxy-16(4'-N,3,5(10)-estratriene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-16(4'-N,N-dimethylaminobenzylidene)-17-oxo-1,3...",NA,"CC12CCC3C(C1CC(=CC4=CC=C(C=C4)N(C)C)C2=O)CCC5=C3C=CC(=C5)O","ZDWWQQXXGWLFMH-OJRHLSPFSA-N",5470643,NA,"PDBC20725","703822","Present",NA,NA
+"20726","3-Hydroxy-16(4'-pyridylmethylene)-17-oxo-1,5(10)-estratriene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-16(4'-pyridylmethylene)-17-oxo-1,3,5(10)-estra...",NA,"CC12CCC3C(C1CC(=CC4=CC=NC=C4)C2=O)CCC5=C3C=CC(=C5)O","HINKGPCPTZTWOD-NDVBANHNSA-N",5470644,NA,"PDBC20726","703823","Present",NA,NA
+"20727","3-Hydroxy-16-(3,5-trimethoxybenzylidene)-17-oxo-1,3,5(10)-estratriene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-16-(3,4,5-trimethoxybenzylidene)-17-oxo-1,3,5(...",NA,"CC12CCC3C(C1CC(=CC4=CC(=C(C(=C4)OC)OC)OC)C2=O)CCC5=C3C=CC(=C5)O","SXBNEFMSOXFIIQ-RRXXRVPNSA-N",5470445,NA,"PDBC20727","701817","Present",NA,NA
+"20728","3-Hydroxy-16-(p-cyanobenzylidene)-17-oxo-1,5(10)-estratriene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-16-(p-cyanobenzylidene)-17-oxo-1,3,5(10)-estra...",NA,"CC12CCC3C(C1CC(=CC4=CC=C(C=C4)C#N)C2=O)CCC5=C3C=CC(=C5)O","LUKDNWYHZQGYSX-DCEJIWEGSA-N",5470447,NA,"PDBC20728","701819","Present",NA,NA
+"20729","3-Hydroxy-16-(p-nitrobenzylidene)-17-oxo-1,5(10)-estratriene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-16-(p-nitrobenzylidene)-17-oxo-1,3,5(10)-estra...",NA,"CC12CCC3C(C1CC(=CC4=CC=C(C=C4)[N+](=O)[O-])C2=O)CCC5=C3C=CC(=C5)O","IEUHJCLQQRTQKI-KAJLVOKLSA-N",5470446,NA,"PDBC20729","701818","Present",NA,NA
+"20730","3-Hydroxy-2,2,3a-trimethyl-1-oxido-4,5,6,7-tetrahydrobenzimidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,7a-Trimethyl-2,4,5,6,7,7a-hexahydro-1H-benzimidazol-1-ol 3-oxide",NA,"CC1(N(C2(CCCCC2=[N+]1[O-])C)O)C","YESLSCWAYAUZSL-UHFFFAOYSA-N",379383,NA,"PDBC20730","663925","Present",NA,NA
+"20731","3-Hydroxy-2,2,4,4-tetramethyl-5-methylene-1-imidazolidinecarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2,2,4,4-tetramethyl-5-methylene-1-imidazolidinecarbaldehyde",NA,"CC1(C(=C)N(C(N1O)(C)C)C=O)C","VLJZUPMHYLYUJK-UHFFFAOYSA-N",379377,NA,"PDBC20731","663920","Present",NA,NA
+"20732","3-Hydroxy-2,2,6-trimethyl-3,4-dihydro-2H,5H-pyrano[2,3-b]chromen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2,2,6-trimethyl-3,4-dihydro-2H,5H-pyrano[2,3-b]chromen-5-one",NA,"CC1=C2C(=CC=C1)OC3=C(C2=O)CC(C(O3)(C)C)O","YZOIJOQBCKWHFJ-UHFFFAOYSA-N",380977,NA,"PDBC20732","666853","Present",NA,NA
+"20733","3-Hydroxy-2,2,7,7-tetramethylcyclohept-5-ene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2,2,7,7-tetramethylcyclohept-5-ene-1,4-dione",NA,"CC1(C=CC(=O)C(C(C1=O)(C)C)O)C","PXQDZCALRJLKKY-UHFFFAOYSA-N",398341,NA,"PDBC20733","708061","Present",NA,NA
+"20734","3-Hydroxy-2,3-dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2,3-dimethoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one",NA,"COC1(C(C(=O)C2=CC=CC=C2O1)(O)OC)C3=CC=CC=C3","LSDQPHGAMNDNCK-UHFFFAOYSA-N",262390,NA,"PDBC20734","95848","Present",NA,NA
+"20735","3-Hydroxy-2-(((4-methylphenyl)thio)acetyl)-2-cyclohexen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-(((4-methylphenyl)thio)acetyl)-2-cyclohexen-1-one",NA,"CC1=CC=C(C=C1)SCC(=C2C(=O)CCCC2=O)O","XKECGPCUFHWQDA-UHFFFAOYSA-N",365034,NA,"PDBC20735","631969","Present",NA,NA
+"20736","3-Hydroxy-2-(2,4,6-trimethoxyphenyl)chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 3-hydroxy- 2-(2,4,6-trimethoxyphe...",NA,"COC1=CC(=C(C(=C1)OC)C2=C(C(=O)C3=CC=CC=C3O2)O)OC","VXUQKRREWQZEQR-UHFFFAOYSA-N",254343,NA,"PDBC20736","78634","Present",NA,NA
+"20737","3-Hydroxy-2-(3-nitrophenyl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-(3-nitrophenyl)quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)C3=CC(=CC=C3)[N+](=O)[O-])O","RAZQHGQZUWOGQY-UHFFFAOYSA-N",342898,NA,"PDBC20737","380804","Present",NA,NA
+"20738","3-Hydroxy-2-(5-methyl-4-hexenoyl)benzyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-(5-methyl-4-hexenoyl)benzyl acetate",NA,"CC(=CCCC(=O)C1=C(C=CC=C1O)COC(=O)C)C","RFTZQMIDFYAFSM-UHFFFAOYSA-N",380976,NA,"PDBC20738","666852","Present",NA,NA
+"20739","3-Hydroxy-2-(p-tolylsulfonylcarbamoylamino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-(p-tolylsulfonylcarbamoylamino)propanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CO)C(=O)O","YJOYEIRYJDOKCG-UHFFFAOYSA-N",396489,NA,"PDBC20739","702673","Present",NA,NA
+"20740","3-Hydroxy-2-(toluene-4-sulfonylamino)-propionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Serine, N-(p-tolylsulfonyl)-, DL-",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(CO)C(=O)O","SBKRCXFSPMKXAU-UHFFFAOYSA-N",283773,NA,"PDBC20740","138971","Present",NA,NA
+"20741","3-Hydroxy-2-[(4-methylphenyl)sulfonylcarbamoylamino]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-(p-tolylsulfonylcarbamoylamino)butanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C(C)O)C(=O)O","ZJTYPCQGSPYOBB-UHFFFAOYSA-N",396490,NA,"PDBC20741","702674","Present",NA,NA
+"20742","3-Hydroxy-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]butanoic acid",NA,"CC(C(C(=O)O)N=CC1=C(OC(=N1)C2=CC=CC=C2)O)O","UTHSHRVQAXDSKR-UHFFFAOYSA-N",373578,NA,"PDBC20742","650031","Present",NA,NA
+"20743","3-Hydroxy-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]propanoic acid",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CO)C(=O)O","GRYDFBCJFODOCY-UHFFFAOYSA-N",373577,NA,"PDBC20743","650030","Present",NA,NA
+"20744","3-Hydroxy-2-[3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-3-phenyl-propyl]-5,5-dimethyl-cyclohex-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-[3-(6-hydroxy-1,3-benzodioxol-5-yl)-1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-3-phenylpropyl]-5,5-dimethylcyclohex-2-en-1-one",NA,"CC1(CC(=C(C(=O)C1)C(CC(C2=CC=CC=C2)C3=CC4=C(C=C3O)OCO4)C5=C(CC(CC5=O)(C)C)O)O)C","GGFYLGOVTXUTSO-UHFFFAOYSA-N",379198,NA,"PDBC20744","663610","Present",NA,NA
+"20745","3-Hydroxy-2-isopropyl-4,4,4-trifluoro-3-trifluoromethylbutyraldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-47550",NA,"CC(C)C(C=O)C(C(F)(F)F)(C(F)(F)F)O","OJZOHRDXAXKWNF-UHFFFAOYSA-N",379447,NA,"PDBC20745","663995","Present",NA,NA
+"20746","3-Hydroxy-2-methyl-1-oxido-4,5-diphenyl-2,4-dihydroimidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-methyl-1-oxido-4,5-diphenyl-2,4-dihydroimidazol-1-ium",NA,"CC1N(C(C(=[N+]1[O-])C2=CC=CC=C2)C3=CC=CC=C3)O","RZHJTANZVWNKCT-UHFFFAOYSA-N",390087,NA,"PDBC20746","687030","Present",NA,NA
+"20747","3-Hydroxy-2-methyl-1-pentofuranosylpyridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydroxy-2-methyl-pyridin-4-one",NA,"CC1=C(C(=O)C=CN1C2C(C(C(O2)CO)O)O)O","RYWYYPYGPHEYCG-UHFFFAOYSA-N",336835,NA,"PDBC20747","352375","Present",NA,NA
+"20748","3-Hydroxy-2-methyl-2,3-dihydropyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Anhydro-2,6-dideoxyhex-1-en-3-ulose",NA,"CC1C(C(=O)C=CO1)O","PCECDTGFEXTFNO-UHFFFAOYSA-N",360936,NA,"PDBC20748","623648","Present",NA,NA
+"20749","3-Hydroxy-2-naphtho-o-phenetidide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azotol of",NA,"CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C=C2O","NXIGDUAONGBUKR-UHFFFAOYSA-N",66716,NA,"PDBC20749","50681","Present",NA,NA
+"20750","3-Hydroxy-2-phenyl-1H-phenalen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-phenyl-1H-phenalen-1-one",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC4=C3C(=CC=C4)C2=O)O","LVSVQSJLQSCHRK-UHFFFAOYSA-N",375813,NA,"PDBC20750","655975","Present",NA,NA
+"20751","3-Hydroxy-2-phenyl-quinazoline-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-2-phenyl-quinazoline-4-thione",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=S)N2O","KNLKNECMXAABMH-UHFFFAOYSA-N",389396,NA,"PDBC20751","685462","Present",NA,NA
+"20752","3-Hydroxy-2-phenylquinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(3H)-Quinazolinone, 3-hydroxy-2-phenyl-",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2O","MIMZZMIFKADVDD-UHFFFAOYSA-N",351739,NA,"PDBC20752","522958","Present",NA,NA
+"20753","3-Hydroxy-3',4',5'-trimethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3',4',5'-trimethoxy-3-hydroxy flavone",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)O","MWFLTXAQDCOKEK-UHFFFAOYSA-N",688827,NA,"PDBC20753","328186","Present",NA,NA
+"20754","3-Hydroxy-3',4',5,7-tetramethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3',4',5,7-tetramethoxyflavone",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)O)OC","AAASNKNLMQBKFV-UHFFFAOYSA-N",97142,NA,"PDBC20754","102049","Present",NA,NA
+"20755","3-Hydroxy-3',4'-dimethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9B35R9JIHA",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)O)OC","BXLAVJWSFYZDPF-UHFFFAOYSA-N",97143,NA,"PDBC20755","102051","Present",NA,NA
+"20756","3-Hydroxy-3'-nitro-2-naphthanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"celcot rm",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])O","YZJSKRBKHCLMQC-UHFFFAOYSA-N",67277,NA,"PDBC20756","37168","Present",NA,NA
+"20757","3-Hydroxy-3-(2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-(2-(2-methyl-1H-indol-3-yl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,"CC1=C(C2=CC=CC=C2N1)C(=O)CC3(C4=CC=CC=C4NC3=O)O","JGAKLIFHUBFLPQ-UHFFFAOYSA-N",360289,NA,"PDBC20757","622324","Present",NA,NA
+"20758","3-Hydroxy-3-(2-methoxybenzyl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-(2-methoxybenzyl)-2-benzofuran-1(3H)-one",NA,"COC1=CC=CC=C1CC2(C3=CC=CC=C3C(=O)O2)O","DCCBAYGSMQZONB-UHFFFAOYSA-N",386350,NA,"PDBC20758","678142","Present",NA,NA
+"20759","3-Hydroxy-3-(2-oxo-1,2-diphenylethyl)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-(2-oxo-1,2-diphenylethyl)-1H-indol-2-one",NA,"C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=CC=CC=C4NC3=O)O","ZPZXEVHIBOVPCZ-UHFFFAOYSA-N",359725,NA,"PDBC20759","621171","Present",NA,NA
+"20760","3-Hydroxy-3-(2-pyridylmethyl)-2-indolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC42448",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(CC3=CC=CC=N3)O","NGKGBFMNFGPGGV-UHFFFAOYSA-N",22733,NA,"PDBC20760","42448","Present",NA,NA
+"20761","3-Hydroxy-3-(3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-(3-oxo-1,2-dihydroinden-2-yl)-1H-indol-2-one",NA,"C1C(C(=O)C2=CC=CC=C21)C3(C4=CC=CC=C4NC3=O)O","NOCIQQVOHNGIRN-UHFFFAOYSA-N",359729,NA,"PDBC20761","621175","Present",NA,NA
+"20762","3-Hydroxy-3-(3-oxo-1H-isobenzofuran-1-yl)isobenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-(3-oxo-1H-isobenzofuran-1-yl)isobenzofuran-1-one",NA,"C1=CC=C2C(=C1)C(OC2=O)C3(C4=CC=CC=C4C(=O)O3)O","UCFUMKDKGAZVAP-UHFFFAOYSA-N",395478,NA,"PDBC20762","700119","Present",NA,NA
+"20763","3-Hydroxy-3-[(2Z)-2-hydroxyimino-2-(2-naphthyl)ethyl]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-[(2Z)-2-hydroxyimino-2-(2-naphthyl)ethyl]indolin-2-one",NA,"C1=CC=C2C=C(C=CC2=C1)C(=NO)CC3(C4=CC=CC=C4NC3=O)O","JZWCJJYBAYUZIP-PYCFMQQDSA-N",9570046,NA,"PDBC20763","635401","Present",NA,NA
+"20764","3-Hydroxy-3-[2-(2-naphthyl)-2-oxo-ethyl]-5-nitro-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-[2-(naphthalen-2-yl)-2-oxoethyl]-5-nitro-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O","UOFZTOWRSSKUNS-UHFFFAOYSA-N",366655,NA,"PDBC20764","635330","Present",NA,NA
+"20765","3-Hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-[2-(3-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC(=CC=C3)O)O","IHZKJYIVVCJOES-UHFFFAOYSA-N",359731,NA,"PDBC20765","621177","Present",NA,NA
+"20766","3-Hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-[2-(4-hydroxyphenyl)-2-oxoethyl]-1H-indol-2-one",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=C(C=C3)O)O","XAUQAUQQAPIQPR-UHFFFAOYSA-N",360284,NA,"PDBC20766","622318","Present",NA,NA
+"20767","3-Hydroxy-3-methyl-3H-benzo[f]chromene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-methyl-3H-benzo[f]chromene-2-carboxamide",NA,"CC1(C(=CC2=C(O1)C=CC3=CC=CC=C32)C(=O)N)O","IICOICQIMMCZSB-UHFFFAOYSA-N",394200,NA,"PDBC20767","697475","Present",NA,NA
+"20768","3-Hydroxy-3-methyl-5,5-bis(trifluoromethyl)dihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-methyl-5,5-bis(trifluoromethyl)dihydro-2(3H)-furanone",NA,"CC1(CC(OC1=O)(C(F)(F)F)C(F)(F)F)O","SGDBXBCZXTYVII-UHFFFAOYSA-N",377653,NA,"PDBC20768","659233","Present",NA,NA
+"20769","3-Hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-3-phenyl-2-(trimethylsilylmethyl)isoindol-1-one",NA,"C[Si](C)(C)CN1C(=O)C2=CC=CC=C2C1(C3=CC=CC=C3)O","OEJXWGUNFGNNGO-UHFFFAOYSA-N",359331,NA,"PDBC20769","620116","Present",NA,NA
+"20770","3-Hydroxy-4,4,4-trifluoro-3-trifluoromethylbutyrophenone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-48455",NA,"C1=CC=C(C=C1)C(=NO)CC(C(F)(F)F)(C(F)(F)F)O","UQVOYAXWHHOBQI-LSCVHKIXSA-N",6069848,NA,"PDBC20770","659227","Present",NA,NA
+"20771","3-Hydroxy-4-((1-hydroxynaphthalen-2-yl)diazenyl)-7-nitronaphthalene-1-sulfonic acid, sodium sallt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-4-((1-hydroxynaphthalen-2-yl)diazenyl)-7-nitro...",NA,"C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C4C=CC=C(C4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-].[Na+]","IDNOXTZGTFLLPH-UHFFFAOYSA-N",135534452,NA,"PDBC20771","85561","Present",NA,NA
+"20772","3-Hydroxy-4-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-((4-((4-sulfophenyl)diazenyl)phenyl)diazenyl)-2,7-naphthalenedisulfonic acid",NA,"C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O","OGDZEWOOSQLJRN-UHFFFAOYSA-N",414379,NA,"PDBC20772","58050","Present",NA,NA
+"20773","3-Hydroxy-4-(phenylazo)-2-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"c.i. pigment red 64 (8ci)",NA,"C1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O","DYMRMULFWJUGDJ-UHFFFAOYSA-N",80753,NA,"PDBC20773","11713","Present",NA,NA
+"20774","3-Hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-1-naphthalenesulfonic acid, monozinc salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-naphthalenesulfonic acid, 3-hydroxy-4-[(2-hydroxy-1-na...",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O)O.[Zn+2]","UUOBJIGGNUWLDJ-UHFFFAOYSA-N",135436495,NA,"PDBC20774","4203","Present",NA,NA
+"20775","3-Hydroxy-4-[(3-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-[(3-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide",NA,"C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=CC=C4)[N+](=O)[O-]","QSFJILOAMVJLLT-UHFFFAOYSA-N",239856,NA,"PDBC20775","45595","Present",NA,NA
+"20776","3-Hydroxy-4-[(4-methyl-2-nitrophenyl)diazenyl]-N-phenylnaphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-(4-methyl-2-nitrophenylazo)-N-phenyl-2-naphthalenecarboxamide",NA,"CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4)O)[N+](=O)[O-]","SMALRPZTMLNUDX-UHFFFAOYSA-N",239754,NA,"PDBC20776","45212","Present",NA,NA
+"20777","3-Hydroxy-4-[(E)-2-(2-furanyl)ethenyl]-3-cyclopentene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-[(E)-2-(2-furanyl)ethenyl]-3-cyclopentene-1,2-dione",NA,"C1C(=C(C(=O)C1=O)O)C=CC2=CC=CO2","SIEFXHGBBOANTM-ONEGZZNKSA-N",5472316,NA,"PDBC20777","717861","Present",NA,NA
+"20778","3-Hydroxy-4-[4-[[(2-thiazolyl)amino]sulfonyl]phenylazo]-2-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-[4-[[(2-thiazolyl)amino]sulfonyl]phenylazo]-2-naphthoic acid",NA,"C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)O)C(=O)O","SVWTXANWDCROMS-UHFFFAOYSA-N",421464,NA,"PDBC20778","134135","Present",NA,NA
+"20779","3-Hydroxy-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-[[4-(pyridin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid",NA,"C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4)O)C(=O)O","IJQOXIRNBWKWFP-UHFFFAOYSA-N",421463,NA,"PDBC20779","134134","Present",NA,NA
+"20780","3-Hydroxy-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]diazenyl]naphthalene-2-carboxylic acid",NA,"C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4)O)C(=O)O","ROLANBQXOIOZEH-UHFFFAOYSA-N",421465,NA,"PDBC20780","134136","Present",NA,NA
+"20781","3-Hydroxy-4-[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]diazenyl]naphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-4-((4-(-N-(5-methyl-1,3,4-thiadiazol 2(3H)-yli...",NA,"CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O","UMOBZXXKVLTDIS-UHFFFAOYSA-N",421460,NA,"PDBC20781","134131","Present",NA,NA
+"20782","3-Hydroxy-4-[[4-[(6-methylpyridin-2-yl)sulfamoyl]phenyl]diazenyl]naphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-[[4-[(6-methylpyridin-2-yl)sulfamoyl]phenyl]diazenyl]naphthalene-2-carboxylic acid",NA,"CC1=NC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O","ORXXNQOAEAEAQN-UHFFFAOYSA-N",421462,NA,"PDBC20782","134133","Present",NA,NA
+"20783","3-Hydroxy-4-[morpholino-(4-nitrophenyl)methyl]-1,2-diphenyl-2H-pyrrol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-[morpholino-(4-nitrophenyl)methyl]-1,2-diphenyl-2H-pyrrol-5-one",NA,"C1COCCN1C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O","WUCFWPWMJKDQQM-UHFFFAOYSA-N",54681648,NA,"PDBC20783","663786","Present",NA,NA
+"20784","3-Hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-phenyldiazenylnaphthalene-2-carboxamide",NA,"C1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)N)O","KRDQHAPHILKHGU-UHFFFAOYSA-N",235145,NA,"PDBC20784","36221","Present",NA,NA
+"20785","3-Hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylic acid",NA,"CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1C(=O)O)CC2O","SRCNKDRSZASSMC-UHFFFAOYSA-N",393381,NA,"PDBC20785","695214","Present",NA,NA
+"20786","3-Hydroxy-5,6-dihydro-6-imino-8,9-dimethylisoindolo-[2,1-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-5,6-dihydro-6-imino-8,9-dimethylisoindolo-[2,1...",NA,"CC1=CC2=CN3C4=C(C=C(C=C4)O)N=C(C3=C2C=C1C)N","VNJLXLIAJUKACY-UHFFFAOYSA-N",60147955,NA,"PDBC20786","753222","Present",NA,NA
+"20787","3-Hydroxy-5,6-dihydro-6-imino-9-methoxyisoindolo-[2,1-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-5,6-dihydro-6-imino-9-methoxyisoindolo-[2,1-a]...",NA,"COC1=CC2=CN3C4=C(C=C(C=C4)O)N=C(C3=C2C=C1)N","PXUHYXJETNWRLA-UHFFFAOYSA-N",60147951,NA,"PDBC20787","753218","Present",NA,NA
+"20788","3-Hydroxy-5,6-dihydrocyclopenta[c]pyrazole-2(4H)-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-5,6-dihydrocyclopenta[c]pyrazole-2(4H)-carboximidamide",NA,"C1CC2=C(C1)NN(C2=O)C(=N)N","QCYLQOXDULJQOC-UHFFFAOYSA-N",380616,NA,"PDBC20788","666291","Present",NA,NA
+"20789","3-Hydroxy-5-nitro-3-(2-oxo-1,2-diphenyl-ethyl)indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-5-nitro-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O","HJNBJRGJCGJFHU-UHFFFAOYSA-N",366754,NA,"PDBC20789","635527","Present",NA,NA
+"20790","3-Hydroxy-5-nitro-3-(3-oxoindan-1-yl)indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-5-nitro-3-(3-oxo-2,3-dihydro-1H-inden-1-yl)-1,3-dihydro-2H-indol-2-one",NA,"C1C(C2=CC=CC=C2C1=O)C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O","FTUCCNRWNKIWOO-UHFFFAOYSA-N",365368,NA,"PDBC20790","632954","Present",NA,NA
+"20791","3-Hydroxy-5-nitro-3-[2-oxo-2-(4-pyridyl)ethyl]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-5-nitro-3-[2-oxo-2-(pyridin-4-yl)ethyl]-1,3-dihydro-2H-indol-2-one",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(C(=O)N2)(CC(=O)C3=CC=NC=C3)O","YLAAGNVVOHQUNG-UHFFFAOYSA-N",366683,NA,"PDBC20791","635400","Present",NA,NA
+"20792","3-Hydroxy-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-6-(hydroxymethyl)-2-[hydroxy(phenyl)methyl]pyran-4-one",NA,"C1=CC=C(C=C1)C(C2=C(C(=O)C=C(O2)CO)O)O","HLXWZBHLMUUZBQ-UHFFFAOYSA-N",395498,NA,"PDBC20792","700140","Present",NA,NA
+"20793","3-Hydroxy-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QN130",NA,"C1=CC2=C(C=C1C(F)(F)F)NC(=O)C(=N2)C(=O)O","CECFDSWTAOUYFR-UHFFFAOYSA-N",387922,NA,"PDBC20793","682227","Present",NA,NA
+"20794","3-Hydroxy-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-6-iodo-2-(2-thienyl)-3H-quinazolin-4-one",NA,"C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2O","PWXOVFJGQMENIX-UHFFFAOYSA-N",404723,NA,"PDBC20794","721194","Present",NA,NA
+"20795","3-Hydroxy-6-methyl-2-quinoxalinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACN-C001137",NA,"CC1=CC2=C(C=C1)N=C(C(=O)N2)C(=O)O","QOCSREIMEAHAJV-UHFFFAOYSA-N",387926,NA,"PDBC20795","682231","Present",NA,NA
+"20796","3-Hydroxy-7-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MB05896",NA,"C1=CC2=C(C=C1C(F)(F)F)N=C(C(=O)N2)C(=O)O","PGHBNLQJQONMKI-UHFFFAOYSA-N",387923,NA,"PDBC20796","682228","Present",NA,NA
+"20797","3-Hydroxy-7-nitro-1,4-benzotriazine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-7-nitro-1,2,4-benzotriazine 1-oxide",NA,"C1=CC2=NC(=O)N[N+](=C2C=C1[N+](=O)[O-])[O-]","WZYFVLNMNMFAEC-UHFFFAOYSA-N",6711495,NA,"PDBC20797","628907","Present",NA,NA
+"20798","3-Hydroxy-7-trifluoroacetamido-1,2,4-benzotriazine-1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-7-trifluoroacetamido-1,2,4-benzotriazine- 1-oxide",NA,"C1=CC2=NC(=O)NN(C2=CC1=NC(=O)C(F)(F)F)O","CJCUIZXXZIXNRE-UHFFFAOYSA-N",494412,NA,"PDBC20798","623604","Present",NA,NA
+"20799","3-Hydroxy-8,9-dimethoxylisoindolo[2,1a]quinoxalin-6-(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-8,9-dimethoxylisoindolo[2,1a]quinoxalin-6-(5H)...",NA,"COC1=CC2=CN3C4=C(C=C(C=C4)O)NC(=O)C3=C2C=C1OC","ZOWTUSVWBAYUSE-UHFFFAOYSA-N",60147957,NA,"PDBC20799","753224","Present",NA,NA
+"20800","3-Hydroxy-8,9-dimethylisoindolo[2,1a]quinoxalin-6-(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-8,9-dimethylisoindolo[2,1a]quinoxalin-6-(5H)-one",NA,"CC1=CC2=CN3C4=C(C=C(C=C4)O)NC(=O)C3=C2C=C1C","OOFZMVGNPQLOOY-UHFFFAOYSA-N",60147956,NA,"PDBC20800","753223","Present",NA,NA
+"20801","3-Hydroxy-8-methoxyisoindolo[2,1a]quinoxalin-6-(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-8-methoxyisoindolo[2,1a]quinoxalin-6-(5H)-one",NA,"COC1=CC2=C3C(=O)NC4=C(N3C=C2C=C1)C=CC(=C4)O","LCMXFTJOHJPNBX-UHFFFAOYSA-N",60147952,NA,"PDBC20801","753219","Present",NA,NA
+"20802","3-Hydroxy-9-methoxyisoindolo[2,1a]quinoxalin-6(5H)one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-9-methoxyisoindolo[2,1a]quinoxalin-6(5H)one",NA,"COC1=CC2=CN3C4=C(C=C(C=C4)O)NC(=O)C3=C2C=C1","HHMQIWLSKCWTIX-UHFFFAOYSA-N",60147950,NA,"PDBC20802","753217","Present",NA,NA
+"20803","3-Hydroxy-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-N'-[(E)-3-(5-nitrofuran-2-yl)prop-2-enoyl]naphthalene-2-carbohydrazide",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NNC(=O)C=CC3=CC=C(O3)[N+](=O)[O-])O","AIKMRUILKBFKCP-FNORWQNLSA-N",53241629,NA,"PDBC20803","750908","Present",NA,NA
+"20804","3-Hydroxy-N-(5-(((3-hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyridinyl)carbonyl)amino)pentyl)-1-methyl-2-oxo-1,2-dihydro-4-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-N-[5-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]pentyl]-1-methyl-2-oxopyridine-4-carboxamide",NA,"CN1C=CC(=C(C1=O)O)C(=O)NCCCCCNC(=O)C2=C(C(=O)N(C=C2)C)O","PTRIKZMKNNEQSG-UHFFFAOYSA-N",391979,NA,"PDBC20804","691701","Present",NA,NA
+"20805","3-Hydroxy-N-1-naphthyl-2-naphthamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"celcot rn",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4C=C3O","QGZGJNPVHADCFM-UHFFFAOYSA-N",67241,NA,"PDBC20805","37202","Present",NA,NA
+"20806","3-Hydroxy-b,e-caroten-3'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,6'RS)-3-Hydroxy-.beta.,.epsilon.-caroten-3-one",NA,"CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(=O)CC2(C)C)C)C)C","OABQIJAIRYEICK-DKLMTRRASA-N",5471692,NA,"PDBC20806","713075","Present",NA,NA
+"20807","3-Hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-n-[3-(trifluoromethyl)phenyl]naphthalene-2-carboxamide",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O","TYINNZKCWQSFLU-UHFFFAOYSA-N",235600,NA,"PDBC20807","37186","Present",NA,NA
+"20808","3-Hydroxycard-20(22)-enolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxycard-20(22)-enolide",NA,"CC12CCC(CC1CCC3C2CCC4(C3CCC4C5=CC(=O)OC5)C)O","SNNJOYYRZHOKFM-UHFFFAOYSA-N",267603,NA,"PDBC20808","107129","Present",NA,NA
+"20809","3-Hydroxyguanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanine 3-N-oxide",NA,"C1=NC2=C(N1)C(=O)N=C(N2O)N","GUFNQGMGUWTPCE-UHFFFAOYSA-N",87841,NA,"PDBC20809","145425","Present",NA,NA
+"20810","3-Hydroxynorerythrosuamide, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxynorerythrosuamide, hydrochloride",NA,"CC1C2C(CCC1=CC(=O)OCCNC)C3(CCC(C(C3C(=O)C2O)(C)C(=O)OC)O)C.Cl","KKRBBTDHKXONGZ-XHTWUSOPSA-N",24195306,NA,"PDBC20810","179176","Present",NA,NA
+"20811","3-Hydroxyphenyl 3-phenylacrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxyphenyl 3-phenylacrylate",NA,"C1=CC=C(C=C1)C=CC(=O)OC2=CC=CC(=C2)O","FBJBXBJXYQABMO-MDZDMXLPSA-N",1234720,NA,"PDBC20811","700128","Present",NA,NA
+"20812","3-Hydroxythiophene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxythiophene-2-carboxylic acid",NA,"C1=CSC(=C1O)C(=O)O","RVDUJCGAAPQDBO-UHFFFAOYSA-N",54715543,NA,"PDBC20812","793118","Present",NA,NA
+"20813","3-Imidazo[1,2-a]pyridin-2-ylchromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_008492",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=N3","IXPDWKSPNLAKQU-UHFFFAOYSA-N",397075,NA,"PDBC20813","704388","Present",NA,NA
+"20814","3-Imino-1,7-dimethyl-5-(3-nitrophenyl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Imino-1,7-dimethyl-5-(3-nitrophenyl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile",NA,"CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC(=CC=C3)[N+](=O)[O-])C","UQYCVIOUEOEUSE-UHFFFAOYSA-N",387805,NA,"PDBC20814","681877","Present",NA,NA
+"20815","3-Imino-1-methyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Imino-1-methyl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile",NA,"CC12CC(C(CO1)(C(=N)O2)C#N)(C#N)C#N","DUWGPSUVTOXRII-UHFFFAOYSA-N",387798,NA,"PDBC20815","681870","Present",NA,NA
+"20816","3-Imino-1-methyl-6-(methylthio)-N-(3-(trifluoromethyl)phenyl)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-6-methylsulfanyl-4-N-[3-(trifluoromethyl)phenyl]pyrazolo[3,4-d]pyrimidine-3,4-diamine",NA,"CN1C2=NC(=NC(=C2C(=N1)N)NC3=CC=CC(=C3)C(F)(F)F)SC","CCMDZSIMKMRPIT-UHFFFAOYSA-N",394390,NA,"PDBC20816","697790","Present",NA,NA
+"20817","3-Imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine",NA,"CN1CCC2=C(C1)SC3=C2C(=N)N(C=N3)N","QXQPOYGBGIMFNS-UHFFFAOYSA-N",397284,NA,"PDBC20817","704837","Present",NA,NA
+"20818","3-Imino-3-phenyl-N-(2-pyridinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-16910",NA,"C1=CC=C(C=C1)C(=N)CC(=O)NC2=CC=CC=N2","UFVYCZSSUPZFOQ-UHFFFAOYSA-N",271262,NA,"PDBC20818","114724","Present",NA,NA
+"20819","3-Imino-4-(4-methoxyphenyl)-1-oxo-2,3,4,5,6,7,8,9-octahydro-1H-pyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Imino-4-(4-methoxyphenyl)-1-oxo-4,5,6,7,8,9-hexahydropyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile",NA,"COC1=CC=C(C=C1)C2C3(C(=NC(=O)C3(C4=C(N2)CCCC4)C#N)N)C#N","HXZAFDZRTPBTFB-UHFFFAOYSA-N",394337,NA,"PDBC20819","697706","Present",NA,NA
+"20820","3-Imino-5-(methylthio)-N,1-diphenyl-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Imino-5-(methylthio)-N,1-diphenyl-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,"CSC1=C(C(=NN1C2=CC=CC=C2)N)C(=O)NC3=CC=CC=C3","VHCTWZUIIJMATE-UHFFFAOYSA-N",392138,NA,"PDBC20820","692018","Present",NA,NA
+"20821","3-Imino-N,1-dimethyl-6-(methylthio)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Imino-N,1-dimethyl-6-(methylthio)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,"CNC1=C2C(=NN(C2=NC(=N1)SC)C)N","VXBFVNYTYBWSSN-UHFFFAOYSA-N",394388,NA,"PDBC20821","697788","Present",NA,NA
+"20822","3-Imino-N-(3-methoxyphenyl)-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Imino-N-(3-methoxyphenyl)-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,"COC1=CC=CC(=C1)NC(=O)C2=C(NN=C2SC)N","IFXAVLSBRBMZIY-UHFFFAOYSA-N",390303,NA,"PDBC20822","687595","Present",NA,NA
+"20823","3-Imino-N-(4-methylphenyl)-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Imino-N-(4-methylphenyl)-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=C(N(N=C2N)C3=CC=CC=C3)SC","XZOUDIZNKBTFPF-UHFFFAOYSA-N",390314,NA,"PDBC20823","687606","Present",NA,NA
+"20824","3-Imino-N-(4-methylphenyl)-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Imino-N-(4-methylphenyl)-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=C(NN=C2SC)N","KWVJPGJPSONSAT-UHFFFAOYSA-N",390312,NA,"PDBC20824","687604","Present",NA,NA
+"20825","3-Indol-3-yl-2-({N-[(4-methylphenyl)sulfonyl]carbamoyl}amino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Indol-3-yl)-2-[(4-methylphenyl)sulfonylcarbamoylamino]propanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O","JWCGMXLGWUFMNU-UHFFFAOYSA-N",396497,NA,"PDBC20825","702681","Present",NA,NA
+"20826","3-Indolizin-2-ylchromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Indolizin-2-ylchromen-2-one",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=C3","XFCXTAUASKZNKO-UHFFFAOYSA-N",397574,NA,"PDBC20826","705894","Present",NA,NA
+"20827","3-Iodo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Iodo-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)I","JEPPCENYDCYJIL-UHFFFAOYSA-N",372726,NA,"PDBC20827","648309","Present",NA,NA
+"20828","3-Iodo-2-(phenylsulfoamino)-tetrahydropyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Iodo-2-(phenylsulfoamino)-tetrahydropyran",NA,"C1CC(C(OC1)NS(=O)(=O)C2=CC=CC=C2)I","MTVNRSFCYYYLJW-UHFFFAOYSA-N",387213,NA,"PDBC20828","680775","Present",NA,NA
+"20829","3-Iodo-3-(trimethylsilyl)-2-propen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Iodo-3-trimethylsilanyl-prop-2-EN-1-OL",NA,"C[Si](C)(C)C(=CCO)I","GQJOQGBLWIODJQ-GQCTYLIASA-N",5924474,NA,"PDBC20829","617399","Present",NA,NA
+"20830","3-Iodo-N-(2-piperidin-1-ylethyl)benzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665372",NA,"C1CCN(CC1)CCNC(=O)C2=CC(=CC=C2)I.Cl","NHLVQUDOZRTZCW-UHFFFAOYSA-N",380073,NA,"PDBC20830","665372","Present",NA,NA
+"20831","3-Iodoacetamido-benzoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Iodoacetamido-benzoic acid ethyl ester",NA,"CCOC(=O)C1=CC(=CC=C1)NC(=O)CI","QTBWLWRCDMPJAD-UHFFFAOYSA-N",398530,NA,"PDBC20831","708445","Present",NA,NA
+"20832","3-Iodoacetamido-benzoylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Iodoacetamido-benzoylurea",NA,"C1=CC(=CC(=C1)NC(=O)CI)C(=O)NC(=O)N","MEDDJABHDBMTKW-UHFFFAOYSA-N",398526,NA,"PDBC20832","708441","Present",NA,NA
+"20833","3-Isopropoxy-2,8,9-trimethoxybenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropoxy-2,8,9-trimethoxybenzo[c]phenanthridine",NA,"CC(C)OC1=C(C=C2C=CC3=C(C2=C1)N=CC4=CC(=C(C=C34)OC)OC)OC","XDWVWFXJKQCGIC-UHFFFAOYSA-N",371232,NA,"PDBC20833","645290","Present",NA,NA
+"20834","3-Isopropoxy-4-(2-(2,4,5-trimethoxyphenyl)-1,3-dithian-2-yl)-3-cyclobutene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropoxy-4-(2-(2,4,5-trimethoxyphenyl)-1,3-dithian-2-yl)-3-cyclobutene-1,2-dione",NA,"CC(C)OC1=C(C(=O)C1=O)C2(SCCCS2)C3=CC(=C(C=C3OC)OC)OC","AYHNLGFGIPOYKT-UHFFFAOYSA-N",394555,NA,"PDBC20834","698100","Present",NA,NA
+"20835","3-Isopropoxy-4-(2-(2-methoxyphenyl)-1,3-dithian-2-yl)-3-cyclobutene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropoxy-4-(2-(2-methoxyphenyl)-1,3-dithian-2-yl)-3-cyclobutene-1,2-dione",NA,"CC(C)OC1=C(C(=O)C1=O)C2(SCCCS2)C3=CC=CC=C3OC","ZXWYPCKHYUODLL-UHFFFAOYSA-N",394552,NA,"PDBC20835","698097","Present",NA,NA
+"20836","3-Isopropoxy-4-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)cyclobut-3-ene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropoxy-4-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)cyclobut-3-ene-1,2-dione",NA,"CC(C)OC1=C(C(=O)C1=O)C2=C(C(=O)C2=O)OC(C)C","DWRQWMINOCNLCA-UHFFFAOYSA-N",389266,NA,"PDBC20836","685019","Present",NA,NA
+"20837","3-Isopropoxy-6,6a,7,12a-tetrahydrochromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropoxy-6,6a,7,12a-tetrahydrochromeno[4,3-b]chromene",NA,"CC(C)OC1=CC2=C(C=C1)C3C(CC4=CC=CC=C4O3)CO2","WPCRGDLWMQNILC-UHFFFAOYSA-N",387592,NA,"PDBC20837","681601","Present",NA,NA
+"20838","3-Isopropyl-1-methoxy-1-triazene 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IPA/NO : methyl ether",NA,"CC(C)N=[N+](NOC)[O-]","ABPPGZXBYYLLGF-UHFFFAOYSA-N",6712035,NA,"PDBC20838","653049","Present",NA,NA
+"20839","3-Isopropyl-1-nitroso-2,6-diphenyl-piperidin-4-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropyl-1-nitroso-2,6-diphenyl-piperidin-4-one oxime",NA,"CC(C)C1C(N(C(CC1=NO)C2=CC=CC=C2)N=O)C3=CC=CC=C3","OBTBUXZQFKXPLD-HEHNFIMWSA-N",6035687,NA,"PDBC20839","656999","Present",NA,NA
+"20840","3-Isopropyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one",NA,"CC(C)C1C(N(C(CC(=O)N1)C2=CC=CC=C2)N=O)C3=CC=CC=C3","HDJDSSXXUGJKNN-UHFFFAOYSA-N",362613,NA,"PDBC20840","626743","Present",NA,NA
+"20841","3-Isopropyl-2,4-dimethyl-3-pentanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pentanol, 2,4-dimethyl-3-(1-methylethyl)- (9CI)",NA,"CC(C)C(C(C)C)(C(C)C)O","IFXNWIUSZUHIDG-UHFFFAOYSA-N",263675,NA,"PDBC20841","98332","Present",NA,NA
+"20842","3-Isopropyl-2-(methoxymethyl)-6-methyl-1,3,2-oxazaphosphinane 2-sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropyl-2-(methoxymethyl)-6-methyl-1,3,2-oxazaphosphinane 2-sulfide",NA,"CC1CCN(P(=S)(O1)COC)C(C)C","MYJSWUJHBLEIKZ-UHFFFAOYSA-N",395332,NA,"PDBC20842","699814","Present",NA,NA
+"20843","3-Isopropyl-4-methyl-pentanoic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate",NA,"CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C)C(C)C","YICZBOMOCOUNSS-DJKKODMXSA-N",5470624,NA,"PDBC20843","703751","Present",NA,NA
+"20844","3-Isopropyl-4-methyl-pentanoic acid 4-decylidene-2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-4-Decylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate",NA,"CCCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C","CNIXVXXLFHNKNC-STZFKDTASA-N",5470622,NA,"PDBC20844","703749","Present",NA,NA
+"20845","3-Isopropyl-4-methyl-pentanoic acid 4-hexylidene-2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-4-Hexylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate",NA,"CCCCCC=C1CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C","SJBCBDAKOWZLGU-YVLHZVERSA-N",5470620,NA,"PDBC20845","703747","Present",NA,NA
+"20846","3-Isopropyl-6-(trifluoromethyl)-2-quinoxalinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropyl-6-(trifluoromethyl)-2-quinoxalinol",NA,"CC(C)C1=NC2=C(C=CC(=C2)C(F)(F)F)NC1=O","METLFZHHNBLIOR-UHFFFAOYSA-N",391279,NA,"PDBC20846","690238","Present",NA,NA
+"20847","3-Isopropyl-7-methyl-2-quinoxalinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropyl-7-methyl-2-quinoxalinol",NA,"CC1=CC2=C(C=C1)N=C(C(=O)N2)C(C)C","HINRNXVQSAJQDH-UHFFFAOYSA-N",391278,NA,"PDBC20847","690237","Present",NA,NA
+"20848","3-Isoquinolinecarboxamide,7-dihydroxy-N-(phenylmethyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isoquinolinecarboxamide, 6,7-dihydroxy-N-(phenylmethyl...",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC3=CC(=C(C=C3C=N2)O)O.Cl","ZAWKQEPOZNGFOD-UHFFFAOYSA-N",135499319,NA,"PDBC20848","651409","Present",NA,NA
+"20849","3-Isoquinolinecarboxamide,8-dihydroxy-N-(phenylmethyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isoquinolinecarboxamide, 7,8-dihydroxy-N-(phenylmethyl...",NA,"C1=CC=C(C=C1)CNC(=O)C2=NC=C3C(=C2)C=CC(=C3O)O.Cl","ANRVBDJGFNEUJK-UHFFFAOYSA-N",135499320,NA,"PDBC20849","651410","Present",NA,NA
+"20850","3-Isoquinolinecarboxylic acid, 7,8-dihydroxy-, methyl ester, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoquinoline-3-carboxylic acid, 7,8-dihydroxy-, methyl e...",NA,"COC(=O)C1=NC=C2C(=C1)C=CC(=C2O)O.Cl","YGQBEVKPTRQMAI-UHFFFAOYSA-N",135499358,NA,"PDBC20850","655247","Present",NA,NA
+"20851","3-Ketobutyltrimethylammonium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-16948",NA,"CC(=O)CC[N+](C)(C)C.[I-]","GUIWMJZVPUIZPM-UHFFFAOYSA-M",35720,NA,"PDBC20851","638636","Present",NA,NA
+"20852","3-L-(5-thioxo-L-propyl)thiazolidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-L-(5-thioxo-L-propyl)thiazolidine-4-carboxylic acid",NA,"C1CC(=S)NC1C(=O)N2CSCC2C(=O)O","OIMCSGSSFQEAGC-UHFFFAOYSA-N",3005164,NA,"PDBC20852","678120","Present",NA,NA
+"20853","3-Mesityl-4,6-dimethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Mesityl-4,6-dimethoxy-3a,4,6,6a-tetrahydrofuro[3,4-d]isoxazole",NA,"CC1=CC(=C(C(=C1)C)C2=NOC3C2C(OC3OC)OC)C","BFBGGXPUCZOTIB-UHFFFAOYSA-N",374544,NA,"PDBC20853","652294","Present",NA,NA
+"20854","3-Methoxy-1,10-dimethyl-9(10H)-acridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-1,10-dimethyl-9(10H)-acridinone",NA,"CC1=CC(=CC2=C1C(=O)C3=CC=CC=C3N2C)OC","WGQAVCZHWJUPJR-UHFFFAOYSA-N",378398,NA,"PDBC20854","660816","Present",NA,NA
+"20855","3-Methoxy-1-[(4-methoxyphenyl)methyl]-4-methylbenzo[g]quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-1-[(4-methoxyphenyl)methyl]-4-methyl-benzo[g]quinolin-2-one",NA,"CC1=C(C(=O)N(C2=CC3=CC=CC=C3C=C12)CC4=CC=C(C=C4)OC)OC","FNTGNQFZDRAANF-UHFFFAOYSA-N",397439,NA,"PDBC20855","705297","Present",NA,NA
+"20856","3-Methoxy-11,12-dihydrodibenzo[a,e]cycloocten-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-11,12-dihydrodibenzo[a,e]cycloocten-5(6H)-one",NA,"COC1=CC2=C(CCC3=CC=CC=C3CC2=O)C=C1","FDJGBVJXXCDZRA-UHFFFAOYSA-N",375808,NA,"PDBC20856","655970","Present",NA,NA
+"20857","3-Methoxy-11-nitroso-5,6,6a,7-tetraaza-6aH-benzo[a]fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-methoxy-1-nitrosopyrido[3,2:4,5]pyrrolo[1,2-c][1,2,3]b...",NA,"COC1=CC2=C(C=C1)C3=C(C4=C(N3N=N2)N=CC=C4)N=O","CQNHUCFXHWOHSA-UHFFFAOYSA-N",54613484,NA,"PDBC20857","749292","Present",NA,NA
+"20858","3-Methoxy-16(4'-hydroxy-3'-methoxybenzylidene)-17-oxo-1,5(10)-estratriene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-16(4'-hydroxy-3'-methoxybenzylidene)-17-oxo-1,...",NA,"CC12CCC3C(C1CC(=CC4=CC(=C(C=C4)O)OC)C2=O)CCC5=C3C=CC(=C5)OC","CCLHRIFGBTYDNG-KDRPZWMYSA-N",5470642,NA,"PDBC20858","703820","Present",NA,NA
+"20859","3-Methoxy-16,3,5(10)-estratriene-16,17-dinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-16,17-seco-1,3,5(10)-estratriene-16,17-dinitrile",NA,"CC1(CCC2C(C1CC#N)CCC3=C2C=CC(=C3)OC)C#N","VWZHZQGGYJISMT-JWHDQAAXSA-N",375745,NA,"PDBC20859","655767","Present",NA,NA
+"20860","3-Methoxy-16-(4'-pyridylmethylene)-1,5(10)-estratriene-17beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-methoxy-16-(4'-pyridylmethylene)-1,3,5(10)-estratriene...",NA,"CC12CCC3C(C1CC(=CC4=CC=NC=C4)C2O)CCC5=C3C=CC(=C5)OC","ACXDGABVRSDCLP-DHVCSGBISA-N",5470877,NA,"PDBC20860","706022","Present",NA,NA
+"20861","3-Methoxy-16-(p-cyanobenzylidene)-17-oxo-1,5(10)-estratriene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-16-(p-cyanobenzylidene)-17-oxo-1,3,5(10)-estra...",NA,"CC12CCC3C(C1CC(=CC4=CC=C(C=C4)C#N)C2=O)CCC5=C3C=CC(=C5)OC","NRMJRWMAKLFLKZ-RLGSIZSXSA-N",5470448,NA,"PDBC20861","701820","Present",NA,NA
+"20862","3-Methoxy-17-hydroxyspiro[estra-1,5(10)-triene-16,1'-cyclohexane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-17-hydroxyspiro[estra-1,3,5(10)-triene-16,1'-c...",NA,"CC12CCC3C(C1CC4(C2O)CCCCC4)CCC5=C3C=CC(=C5)OC","IFCXNXJPRVPWSC-ZQGJOIPISA-N",45028008,NA,"PDBC20862","740562","Present",NA,NA
+"20863","3-Methoxy-17-oxospiro[estra-1,5(10)-triene-16,1'-cyclohexane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-17-oxospiro[estra-1,3,5(10)-triene-16,1'-cyclo...",NA,"CC12CCC3C(C1CC4(C2=O)CCCCC4)CCC5=C3C=CC(=C5)OC","QTZHSIHCJFMBGA-JFYQVNSESA-N",45027998,NA,"PDBC20863","740539","Present",NA,NA
+"20864","3-Methoxy-2,5-dithiophen-2-ylthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2':5',2''-Terthiophene, 3'-methoxy-",NA,"COC1=C(SC(=C1)C2=CC=CS2)C3=CC=CS3","YBJPZZBYEHNCSU-UHFFFAOYSA-N",373943,NA,"PDBC20864","650973","Present",NA,NA
+"20865","3-Methoxy-2-(1-naphthylmethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-2-(1-naphthylmethyl)benzoic acid",NA,"COC1=CC=CC(=C1CC2=CC=CC3=CC=CC=C32)C(=O)O","VRMABUVODPLZQQ-UHFFFAOYSA-N",362074,NA,"PDBC20865","625596","Present",NA,NA
+"20866","3-Methoxy-2-(methoxycarbonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XRDBRNRBSFWBBN-UHFFFAOYSA-N",NA,"COC1=CC=CC(=C1C(=O)OC)C(=O)O","XRDBRNRBSFWBBN-UHFFFAOYSA-N",358344,NA,"PDBC20866","618309","Present",NA,NA
+"20867","3-Methoxy-4',5-dihydroxy-trans-stilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-methoxyresveratrol",NA,"COC1=CC(=CC(=C1)O)C=CC2=CC=C(C=C2)O","KUWZXOMQXYWKBS-NSCUHMNNSA-N",5473050,NA,"PDBC20867","723532","Present",NA,NA
+"20868","3-Methoxy-4-benzyloxy-alpha-benzoylcinnamonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-4-benzyloxy-.alpha.-benzoylcinnamonitrile",NA,"COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)OCC3=CC=CC=C3","SFIXTJGUMGRISS-KGENOOAVSA-N",6062847,NA,"PDBC20868","643190","Present",NA,NA
+"20869","3-Methoxy-4-hydroxy-alpha-benzoylcinnamonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-4-hydroxy-.alpha.-benzoylcinnamonitrile",NA,"COC1=C(C=CC(=C1)C=C(C#N)C(=O)C2=CC=CC=C2)O","TZGGXAVMJNANBG-NTEUORMPSA-N",5345831,NA,"PDBC20869","643183","Present",NA,NA
+"20870","3-Methoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-5,6,7,9,14,14a-hexahydroisoquino[3,2-a][2]benzazepine",NA,"COC1=CC2=C(C=C1)C3CC4=CC=CC=C4CN3CCC2","NEJKCLCTAREPHX-UHFFFAOYSA-N",384192,NA,"PDBC20870","673598","Present",NA,NA
+"20871","3-Methoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-5,6,8,9,14,14a-hexahydroisoquino[1,2-b][3]benzazepine",NA,"COC1=CC2=C(C=C1)C3CC4=CC=CC=C4CCN3CC2","SNAKNALELBXYNI-UHFFFAOYSA-N",384199,NA,"PDBC20871","673604","Present",NA,NA
+"20872","3-Methoxy-5,8-dimethyl-9H-carbazol-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-5,8-dimethyl-9H-carbazol-1-amine",NA,"CC1=C2C3=C(C(=CC(=C3)OC)N)NC2=C(C=C1)C","DDDHCEHBVIIZHW-UHFFFAOYSA-N",374582,NA,"PDBC20872","652555","Present",NA,NA
+"20873","3-Methoxy-5-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-5-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CN1C2=CC=CC=C2N3C1=C(C(=CC3=O)OC)C#N","UJOOTRLWVWKVKT-UHFFFAOYSA-N",377859,NA,"PDBC20873","659483","Present",NA,NA
+"20874","3-Methoxy-5-nitro-1-(2-pyridylmethyl)indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-5-nitro-1-(2-pyridylmethyl)indazole",NA,"COC1=NN(C2=C1C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=N3","GDAVZEGSTKQDTH-UHFFFAOYSA-N",386343,NA,"PDBC20874","678126","Present",NA,NA
+"20875","3-Methoxy-5H-10-fluoro-isoindolo[2,1-A]quinoxalin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3- METHOXY-5H-10-FLUORO-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE",NA,"COC1=CC2=C(C=C1)N3C=C4C(=C3C(=O)N2)C=CC=C4F","JPYMQJSBXAEVGD-UHFFFAOYSA-N",54612825,NA,"PDBC20875","747521","Present",NA,NA
+"20876","3-Methoxy-5H-8-methoxy-isoindolo[2,1-A]quinoxalin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3- METHOXY-5H-8-METHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE",NA,"COC1=CC2=C3C(=O)NC4=C(N3C=C2C=C1)C=CC(=C4)OC","KUWBJYLEYHPKQQ-UHFFFAOYSA-N",54612826,NA,"PDBC20876","747522","Present",NA,NA
+"20877","3-Methoxy-5H-9-methoxy-isoindolo[2,1-A]quinoxalin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3- METHOXY-5H-9-METHOXY-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE",NA,"COC1=CC2=CN3C4=C(C=C(C=C4)OC)NC(=O)C3=C2C=C1","HGAHKZJDPQSSQB-UHFFFAOYSA-N",54612827,NA,"PDBC20877","747523","Present",NA,NA
+"20878","3-Methoxy-6,13-dihydrobenzo[h][1,3]dioxolo[4,5-b]acridin-7(5h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Methoxy-6,8-dioxa-12-azapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14(19),15,17-heptaen-2-one",NA,"COC1=CC2=C(C=C1)C3=C(CC2)C(=O)C4=CC5=C(C=C4N3)OCO5","HNSQFZFAXOKNHP-UHFFFAOYSA-N",374408,NA,"PDBC20878","652118","Present",NA,NA
+"20879","3-Methoxy-6,6a-dihydropyrido[3',4':3,4]pyrrolo[1,2-a]quinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-1,13-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,11(16),12,14-hexaene-8,17-dione",NA,"COC1=CC2=C(C=C1)N3C(CC2=O)C4=C(C3=O)C=CN=C4","NBVHOYBOLOXEDH-UHFFFAOYSA-N",394932,NA,"PDBC20879","699032","Present",NA,NA
+"20880","3-Methoxy-6,7-dihydro-5h-benzo[6,7]cyclohepta[1,2-b]quinolin-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-19-azatetracyclo[9.8.0.02,7.013,18]nonadeca-1(19),2(7),3,5,11,13,15,17-octaen-12-amine",NA,"COC1=CC2=C(C=C1)C3=NC4=CC=CC=C4C(=C3CCC2)N","CNACZOSGTBZLLB-UHFFFAOYSA-N",402665,NA,"PDBC20880","716851","Present",NA,NA
+"20881","3-Methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-6-[(Z)-2-(7-methoxy-1,3-benzodioxol-5-yl)ethenyl]benzene-1,2-diol",NA,"COC1=C(C(=C(C=C1)C=CC2=CC3=C(C(=C2)OC)OCO3)O)O","ANCIATXUDFQEBC-ARJAWSKDSA-N",5386543,NA,"PDBC20881","613752","Present",NA,NA
+"20882","3-Methoxy-6-methyl-4-nitropyridazine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC-907/25004561",NA,"CC1=CC(=C(N=[N+]1[O-])OC)[N+](=O)[O-]","QSZDOGLESFAOQS-UHFFFAOYSA-N",6405305,NA,"PDBC20882","64798","Present",NA,NA
+"20883","3-Methoxy-6-phenoxy-2-phenylimidazo[1,2-b]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-2-phenoxy-2-phenylimidazo[1,2-b]pyridazine",NA,"COC1=C(N=C2N1N=C(C=C2)OC3=CC=CC=C3)C4=CC=CC=C4","IUZQKEQPFSPXKK-UHFFFAOYSA-N",367310,NA,"PDBC20883","636878","Present",NA,NA
+"20884","3-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-6H,7H-chromeno[4,3-b]chromen-6a(12aH)-ol",NA,"COC1=CC2=C(C=C1)C3C(CC4=CC=CC=C4O3)(CO2)O","ISSDKRHIMMFJIQ-UHFFFAOYSA-N",387600,NA,"PDBC20884","681609","Present",NA,NA
+"20885","3-Methoxy-6H,7H-chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-6H,7H-chromeno[4,3-b]chromene",NA,"COC1=CC2=C(C=C1)C3=C(CC4=CC=CC=C4O3)CO2","YYPFLCOLVJWBIR-UHFFFAOYSA-N",387604,NA,"PDBC20885","681613","Present",NA,NA
+"20886","3-Methoxy-6H-chromeno[4,3-b]chromen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-6H-chromeno[4,3-b]chromen-7-one",NA,"COC1=CC2=C(C=C1)C3=C(CO2)C(=O)C4=CC=CC=C4O3","PWZMSAMMCDWPMJ-UHFFFAOYSA-N",387610,NA,"PDBC20886","681619","Present",NA,NA
+"20887","3-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,"COC1=CC2=C(C=C1)C3C(CC4=CC=CC=C4O3)CO2","NOGHCXLBTVJRST-UHFFFAOYSA-N",387587,NA,"PDBC20887","681596","Present",NA,NA
+"20888","3-Methoxy-6a,13a-dihydro-6H,7H-chromeno[4,3-b][1,3]dioxolo[4,5-g]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Methoxy-6,8,12,20-tetraoxapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-3,5(9),10,14(19),15,17-hexaene",NA,"COC1=CC2=C(C=C1)C3C(CC4=CC5=C(C=C4O3)OCO5)CO2","GWWLSTFCRUNEEA-UHFFFAOYSA-N",387597,NA,"PDBC20888","681606","Present",NA,NA
+"20889","3-Methoxy-8,9-dimethyl-5H-isoindolo[2,1-a]quinoxalin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3- METHOXY-5H-8,9-DIMETHYL-ISOINDOLO[2,1-A]QUINOXALIN-6-ONE",NA,"CC1=CC2=CN3C4=C(C=C(C=C4)OC)NC(=O)C3=C2C=C1C","PNRUIYJMOWEEFK-UHFFFAOYSA-N",54612824,NA,"PDBC20889","747520","Present",NA,NA
+"20890","3-Methoxy-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-9H-pyrido[3,4-b]indole",NA,"COC1=NC=C2C(=C1)C3=CC=CC=C3N2","UFGGNIMGPVLCJZ-UHFFFAOYSA-N",363113,NA,"PDBC20890","627681","Present",NA,NA
+"20891","3-Methoxy-N,N-dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-N,N-dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=C(C=C(C=C4)N(C)C)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","OTUQBJVZQSQBAC-UHFFFAOYSA-M",5470317,NA,"PDBC20891","699476","Present",NA,NA
+"20892","3-Methoxy-estra-1,5(10)-triene-(17,16-c)pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxy-estra-1,3,5(10)-triene-(17,16-c)pyrazole",NA,"CC12CCC3C(C1CC4=C2NN=C4)CCC5=C3C=CC(=C5)OC","RMERJKLVPVISOZ-XSYGEPLQSA-N",24205614,NA,"PDBC20892","736241","Present",NA,NA
+"20893","3-Methoxycarbonyladamantane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QGHDOZIQCQPUHX-UHFFFAOYSA-N",NA,"COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)O","QGHDOZIQCQPUHX-UHFFFAOYSA-N",365222,NA,"PDBC20893","632546","Present",NA,NA
+"20894","3-Methoxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methoxycoumarin",NA,"COC1=CC2=CC=CC=C2OC1=O","HQCYVSPJIOJEGA-UHFFFAOYSA-N",367929,NA,"PDBC20894","638128","Present",NA,NA
+"20895","3-Methoxyestra-1,5(10),16(17H)-tetraeno[16,17:1',2']-(4-ac etylmethyl-1,4-dihydroanthraquinone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxyestra-1,3,5(10),16(17H)-tetraeno[16,17:1',2']-(...",NA,"CC(=O)OCC1C=C2CC3C4CCC5=C(C4CCC3(C2C6C1C(=O)C7=CC=CC=C7C6=O)C)C=CC(=C5)OC","SDEFWQKXHUMHJI-FECQQWDWSA-N",24206044,NA,"PDBC20895","737781","Present",NA,NA
+"20896","3-Methoxysalicylaldehyde isonicotinoyl hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-130969",NA,"COC1=CC=CC(=C1O)C=NNC(=O)C2=CC=NC=C2","VWLOTRPSIVIFDW-SXGWCWSVSA-N",135538347,NA,"PDBC20896","33762","Present",NA,NA
+"20897","3-Methyl-(D3)-trishomocuban-4-ethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-(D3)-trishomocuban-4-ethylamine",NA,"CCNC1C2C3CC4C2C5C1(C3C4C5)C","PICQZWRBGKFMON-NPSUOCMPSA-N",371673,NA,"PDBC20897","646111","Present",NA,NA
+"20898","3-Methyl-1,2-benzisoxazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH862280",NA,"CC1=NOC2=CC=CC(=C12)O","QJKWESZXKFJXGT-UHFFFAOYSA-N",135429940,NA,"PDBC20898","622636","Present",NA,NA
+"20899","3-Methyl-1,2-benzisoxazol-4-yl decanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1,2-benzisoxazol-4-yl decanoate",NA,"CCCCCCCCCC(=O)OC1=CC=CC2=C1C(=NO2)C","SLBUOVXTONDSOZ-UHFFFAOYSA-N",365037,NA,"PDBC20899","631972","Present",NA,NA
+"20900","3-Methyl-1,5-dioxido-1,5-naphthyridine-1,5-diium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1,5-dioxido-1,5-naphthyridine-1,5-diium",NA,"CC1=C[N+](=O)C2=CC=CN(C2=C1)[O-]","NAUKDRRGJZDVFL-UHFFFAOYSA-N",375636,NA,"PDBC20900","655458","Present",NA,NA
+"20901","3-Methyl-1,7-diphenyl-1,6-dihydropyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1,7-diphenyl-1,6-dihydropyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid",NA,"CC1=NN(C2=C1N=C(CC(=N2)C3=CC=CC=C3)C(=O)O)C4=CC=CC=C4","WIPBGLBPKDWPCY-UHFFFAOYSA-N",378935,NA,"PDBC20901","662443","Present",NA,NA
+"20902","3-Methyl-1-(2-quinolinyl)-2-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-(2-quinolinyl)-2-butanone",NA,"CC(C)C(=O)CC1=NC2=CC=CC=C2C=C1","YNAKYFWJSSKUQL-UHFFFAOYSA-N",238450,NA,"PDBC20902","42797","Present",NA,NA
+"20903","3-Methyl-1-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione",NA,"CC1=CC(=O)N(C1=O)N2C(=NNC2=O)C","XNKRDTFZEYVPQD-UHFFFAOYSA-N",387577,NA,"PDBC20903","681534","Present",NA,NA
+"20904","3-Methyl-1-(4-nitrobenzoyl)-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-(4-nitrobenzoyl)-5-(2-phenylethyl)-2-[[4-tri(propan-2-yl)silyloxyphenyl]methyl]pyrrolidine-3-carbaldehyde",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=CC=C(C=C1)CC2C(CC(N2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4)(C)C=O","PFPUPXYWDOJOFU-UHFFFAOYSA-N",401723,NA,"PDBC20904","715453","Present",NA,NA
+"20905","3-Methyl-1-(4-pentenyl)-2-piperidinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-(4-pentenyl)-2-piperidinethione",NA,"CC1CCCN(C1=S)CCCC=C","WJPOKTWMHZMQLE-UHFFFAOYSA-N",373270,NA,"PDBC20905","649423","Present",NA,NA
+"20906","3-Methyl-1-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)pyrrole-2,5-dione",NA,"CC1=CC(=O)N(C1=O)N2C(=NNC2=O)C3=CC=CC=C3","XCQFXXWBRJGPFK-UHFFFAOYSA-N",388411,NA,"PDBC20906","683293","Present",NA,NA
+"20907","3-Methyl-1-(phenylacetyl)-4-(4-(2-phenylvinyl)phenyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl- 4-[4-(...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)C=CC4=CC=CC=C4)C(=O)CC5=CC=CC=C5","WCEDXYBMEYAOQK-OUKQBFOZSA-N",5923387,NA,"PDBC20907","657380","Present",NA,NA
+"20908","3-Methyl-1-benzofuran-2-carboximidamide hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-benzofuran-2-carboximidamide hydrochloride",NA,"CC1=C(OC2=CC=CC=C12)C(=N)N.Cl","BKFHVJKRISGLOC-UHFFFAOYSA-N",363674,NA,"PDBC20908","628747","Present",NA,NA
+"20909","3-Methyl-1-morpholino-2-(2-morpholinoethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-morpholino-2-(2-morpholinoethyl)pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=C(C2=NC3=CC=CC=C3N2C(=C1CCN4CCOCC4)N5CCOCC5)C#N","KWJOJQVAUAZFNS-UHFFFAOYSA-N",377277,NA,"PDBC20909","658530","Present",NA,NA
+"20910","3-Methyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-nitroso-2,6-di(2-thienyl)-4-piperidinone",NA,"CC1C(N(C(CC1=O)C2=CC=CS2)N=O)C3=CC=CS3","GSLUMCCDDSVQBE-UHFFFAOYSA-N",362610,NA,"PDBC20910","626740","Present",NA,NA
+"20911","3-Methyl-1-nitroso-2,6-diphenyl-piperidin-4-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-nitroso-2,6-diphenyl-piperidin-4-one oxime",NA,"CC1C(N(C(CC1=NO)C2=CC=CC=C2)N=O)C3=CC=CC=C3","DEOWNWVIOCEVCD-KNTRCKAVSA-N",6375213,NA,"PDBC20911","656998","Present",NA,NA
+"20912","3-Methyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-nitroso-2,7-diphenyl-1,4-diazepan-5-one",NA,"CC1C(N(C(CC(=O)N1)C2=CC=CC=C2)N=O)C3=CC=CC=C3","QQAIQSYUNZHALI-UHFFFAOYSA-N",362614,NA,"PDBC20912","626744","Present",NA,NA
+"20913","3-Methyl-1-oxo-2-(2-((triphenylphosphoranylidene)amino)ethyl)-1,5-dihydropyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-oxo-2-[2-[(triphenyl-lambda5-phosphanylidene)amino]ethyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCN=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","VSMNEGVPLMFJOA-UHFFFAOYSA-N",377275,NA,"PDBC20913","658528","Present",NA,NA
+"20914","3-Methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-phenyl-1,3,8-triazaspiro[4,5]-decan-4-one",NA,"CN1CN(C2(C1=O)CCNCC2)C3=CC=CC=C3","IGPACMIJADAUNA-UHFFFAOYSA-N",197732,NA,"PDBC20914","685712","Present",NA,NA
+"20915","3-Methyl-1-phenyl-4,6-dihydropyrazolo(4,3-d)(1)benzazepin-5(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazolo[3,4-d][1]benzazepin-5-one, 1,4,5,6-tetrahydro-3...",NA,"CC1=NN(C2=C1CC(=O)NC3=CC=CC=C32)C4=CC=CC=C4","HDYUIMHCGQNIMV-UHFFFAOYSA-N",378957,NA,"PDBC20915","662553","Present",NA,NA
+"20916","3-Methyl-1-phenyl-5-sulfanylpyrazol-4-yl phenyl ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-phenyl-5-sulfanylpyrazol-4-yl phenyl ketone",NA,"CC1=C(C(=S)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","VVEFMYLKFYPUOX-UHFFFAOYSA-N",4989771,NA,"PDBC20916","619156","Present",NA,NA
+"20917","3-Methyl-1-phenyl-pyrazolo[3,4-b]pyrazine-6-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1-phenyl-pyrazolo[3,4-b]pyrazine-6-thiol",NA,"CC1=NN(C2=C1N=CC(=S)N2)C3=CC=CC=C3","STTKFZBNWMQRMM-UHFFFAOYSA-N",135436068,NA,"PDBC20917","674231","Present",NA,NA
+"20918","3-Methyl-1-thia-3,4a,9-triaza-fluorene-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,3,5-Thiadiazino[3,2-a]benzimidazol-2,4(3H)-dithione...",NA,"CN1C(=S)N2C3=CC=CC=C3N=C2SC1=S","WHOZVZKPJLUZNU-UHFFFAOYSA-N",353156,NA,"PDBC20918","600473","Present",NA,NA
+"20919","3-Methyl-10-(4-methylphenyl)-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-10-(4-methylphenyl)-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-1,5-dihydropyrimido[4,5-b]quinoline-2,4-dione",NA,"CC1=CC=C(C=C1)N2C3=CC=CC=C3C(C4=C2NC(=O)N(C4=O)C)C(SC)S(=O)(=O)C5=CC=C(C=C5)C","QUQVVTLEZDGOOY-UHFFFAOYSA-N",370136,NA,"PDBC20919","642726","Present",NA,NA
+"20920","3-Methyl-13,13a-dihydro-9H-[1,3]thiazolo[4,3-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepine-9-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-12-thione",NA,"CC1=NN=C2N1C3=CC=CC=C3C(=S)N4C2CSC4","WHRTZGCLIOSHIR-UHFFFAOYSA-N",388521,NA,"PDBC20920","683505","Present",NA,NA
+"20921","3-Methyl-18-phenyl-21-thia-3,13,18-triazahexacyclo[13.5.1.01,13.02,10.04,9.016,20]henicosa-2(10),4,6,8-tetraene-14,17,19-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-18-phenyl-21-thia-3,13,18-triazahexacyclo[13.5.1.01,13.02,10.04,9.016,20]henicosa-2(10),4,6,8-tetraene-14,17,19-trione",NA,"CN1C2=CC=CC=C2C3=C1C45C6C(C(S4)C(=O)N5CC3)C(=O)N(C6=O)C7=CC=CC=C7","ROBPMFOYMOZBLS-UHFFFAOYSA-N",397459,NA,"PDBC20921","705317","Present",NA,NA
+"20922","3-Methyl-1H-[4,1]benzoxazepine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-1H-[4,1]benzoxazepine-2,5-dione",NA,"CC1C(=O)NC2=CC=CC=C2C(=O)O1","RABWXFPVNRWBGX-UHFFFAOYSA-N",398452,NA,"PDBC20922","708222","Present",NA,NA
+"20923","3-Methyl-1H-pteridine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-methyllumazin",NA,"CN1C(=O)C2=NC=CN=C2NC1=O","UYXLCEIIVQGXBU-UHFFFAOYSA-N",379345,NA,"PDBC20923","663892","Present",NA,NA
+"20924","3-Methyl-2,3,4,4a-tetrahydro-1H-pyrazino[1,2-a]quinoline-5,5(6H)-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazino[1,2-a]quinoline-5,5-dicarbonitrile, 2,3,4,4a...",NA,"CN1CCN2C(C1)C(CC3=CC=CC=C32)(C#N)C#N","PHRHYKULVRKEER-UHFFFAOYSA-N",363225,NA,"PDBC20924","627967","Present",NA,NA
+"20925","3-Methyl-2,4-diphenyl-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2,4-diphenyl-3,6-dihydro-2H-1,2-oxazine",NA,"CC1C(=CCON1C2=CC=CC=C2)C3=CC=CC=C3","LWIIQRRUWYVXDV-UHFFFAOYSA-N",370846,NA,"PDBC20925","644552","Present",NA,NA
+"20926","3-Methyl-2,5-diphenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2,5-diphenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide",NA,"CC1=CC(OP1(=O)C2=CC=CC=C2)C3=CC=CC=C3","ZRLGMUKNJTVGTF-UHFFFAOYSA-N",380880,NA,"PDBC20926","666664","Present",NA,NA
+"20927","3-Methyl-2-(3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-(3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole",NA,"CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)C","NQDOZQYNMBJQMG-UHFFFAOYSA-N",338452,NA,"PDBC20927","361054","Present",NA,NA
+"20928","3-Methyl-2-(7H-purin-6-ylamino)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL373150",NA,"CC(C)C(C(=O)O)NC1=NC=NC2=C1NC=N2","NYRSRNGSMXWKQV-UHFFFAOYSA-N",4136995,NA,"PDBC20928","52343","Present",NA,NA
+"20929","3-Methyl-2-(methylimino)-2,3-dihydro[1,3]thiazolo[4,5-b]pyrazine-5,6-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-(methylimino)-2,3-dihydro[1,3]thiazolo[4,5-b]pyrazine-5,6-dicarbonitrile",NA,"CN=C1N(C2=NC(=C(N=C2S1)C#N)C#N)C","HNBVITSUQKTDRQ-UHFFFAOYSA-N",380162,NA,"PDBC20929","665600","Present",NA,NA
+"20930","3-Methyl-2-(naphthalene-1-carbonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-(1-naphthoyl)benzoic acid",NA,"CC1=C(C(=CC=C1)C(=O)O)C(=O)C2=CC=CC3=CC=CC=C32","YTIODIXTUPNVSG-UHFFFAOYSA-N",362083,NA,"PDBC20930","625606","Present",NA,NA
+"20931","3-Methyl-2-[(10-oxidoacridin-10-ium-9-yl)amino]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(10-Hydroxy-10.lambda.~5~-acridin-9-yl)valine",NA,"CC(C)C(C(=O)O)N=C1C2=CC=CC=C2N(C3=CC=CC=C31)O","USUBCYDCIHFXSL-UHFFFAOYSA-N",494620,NA,"PDBC20931","627901","Present",NA,NA
+"20932","3-Methyl-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]butanoic acid",NA,"CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)[O-]","IEBSGLZZVOUHQG-UHFFFAOYSA-N",494614,NA,"PDBC20932","627895","Present",NA,NA
+"20933","3-Methyl-2-[(4-methylphenyl)sulfonylcarbamoylamino]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-(p-tolylsulfonylcarbamoylamino)butanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(C(C)C)C(=O)O","GJWUVSCQOVQPQW-UHFFFAOYSA-N",396491,NA,"PDBC20933","702675","Present",NA,NA
+"20934","3-Methyl-2-[(9-oxo-10H-acridine-4-carbonyl)amino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-[(9-oxo10h-acridine-4-carbonyl)amino]pentanoic acid",NA,"CCC(C)C(C(=O)O)NC(=O)C1=CC=CC2=C1NC3=CC=CC=C3C2=O","IVACLNSXZIMXDY-UHFFFAOYSA-N",392350,NA,"PDBC20934","692634","Present",NA,NA
+"20935","3-Methyl-2-buten-1-yl diazopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-buten-1-yl diazopropanoate",NA,"CC(=CCOC(=O)C(=[N+]=[N-])C)C","VBCMPSVNMDRWRX-UHFFFAOYSA-N",386724,NA,"PDBC20935","679274","Present",NA,NA
+"20936","3-Methyl-2-methylimino-2,3-dihydro-naphtho[2,3-d]thiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-d]thiazole-4,9-dione, 3-methyl-2-(methylimino)-",NA,"CN=C1N(C2=C(S1)C(=O)C3=CC=CC=C3C2=O)C","GWLABUXKVMQBNY-UHFFFAOYSA-N",377877,NA,"PDBC20936","659501","Present",NA,NA
+"20937","3-Methyl-2-methylsulfanyl-4H-pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-methylsulfanyl-4H-pyrimidine",NA,"CN1CC=CN=C1SC","NGDIQQVMPLTBDN-UHFFFAOYSA-N",358317,NA,"PDBC20937","618278","Present",NA,NA
+"20938","3-Methyl-2-methylsulfanyl-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-methylsulfanyl-6-(4-nitrophenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one",NA,"CN1C(=O)C2=C(NC(CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N=C1SC","WSASOTZFWHBMOA-UHFFFAOYSA-N",389942,NA,"PDBC20938","686610","Present",NA,NA
+"20939","3-Methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-phenyl-5,6-dihydro-4h-pyrrolo[2,3-d]pyridazin-4-one",NA,"CC1=C(NC2=C1C(=O)NN=C2)C3=CC=CC=C3","DPTXIPYEVFMFTE-UHFFFAOYSA-N",135426729,NA,"PDBC20939","712186","Present",NA,NA
+"20940","3-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone",NA,"CC1=CC2=C(C=C1)N=C(C=C2C)NN=CC3=C(C=CS3)C","YAZYTYCQEMTVJD-VCHYOVAHSA-N",9556274,NA,"PDBC20940","683907","Present",NA,NA
+"20941","3-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone",NA,"CC1=C2C(=CC=C1)C(=CC(=N2)NN=CC3=C(C=CS3)C)C","ZGMZAURNMJNSSB-VCHYOVAHSA-N",9556275,NA,"PDBC20941","683908","Present",NA,NA
+"20942","3-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone",NA,"CC1=C(SC=C1)C=NNC2=NC3=CC=CC=C3C(=C2)C","OYLMZCNRGXPYJP-LICLKQGHSA-N",9556273,NA,"PDBC20942","683906","Present",NA,NA
+"20943","3-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone",NA,"CC1=C(SC=C1)C=NNC2=NC3=C(C=C(C=C3)OC)C(=C2)C","IPTDWJNJTAFLED-VCHYOVAHSA-N",9556276,NA,"PDBC20943","683909","Present",NA,NA
+"20944","3-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone",NA,"CC1=C(SC=C1)C=NNC2=NC3=C(C=CC(=C3)OC)C(=C2)C","LJJUOEXAPQICEI-VCHYOVAHSA-N",9556277,NA,"PDBC20944","683910","Present",NA,NA
+"20945","3-Methyl-2-thiophenecarbaldehyde 1-phthalazinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-thiophenecarbaldehyde 1-phthalazinylhydrazone",NA,"CC1=C(SC=C1)C=NNC2=NN=CC3=CC=CC=C32","WMPAEJWUOUXKQR-CXUHLZMHSA-N",9556271,NA,"PDBC20945","683904","Present",NA,NA
+"20946","3-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone",NA,"CC1=C(SC=C1)C=NNC2=CC=CC=N2","NEICKWRBEAFLRB-MDWZMJQESA-N",9556267,NA,"PDBC20946","683900","Present",NA,NA
+"20947","3-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone",NA,"CC1=C(SC=C1)C=NNC2=NC=CC=N2","NUMRXTYTJYWACC-NTUHNPAUSA-N",9556268,NA,"PDBC20947","683901","Present",NA,NA
+"20948","3-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone",NA,"CC1=C(SC=C1)C=NNC2=NC3=CC=CC=C3C=C2","PIKARIPADNTNGU-MHWRWJLKSA-N",9556272,NA,"PDBC20948","683905","Present",NA,NA
+"20949","3-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone",NA,"CC1=C(SC=C1)C=NNC2=NCCN2","YTGOPQGLNSHFNX-WUXMJOGZSA-N",9556266,NA,"PDBC20949","683899","Present",NA,NA
+"20950","3-Methyl-21-thia-3,13-diazahexacyclo[13.5.1.01,13.02,10.04,9.015,19]henicosa-2(10),4,6,8-tetraen-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-21-thia-3,13-diazahexacyclo[13.5.1.01,13.02,10.04,9.015,19]henicosa-2(10),4,6,8-tetraen-14-one",NA,"CN1C2=CC=CC=C2C3=C1C45CC6CCCC6(S4)C(=O)N5CC3","XMKZSJNAJUEYTO-UHFFFAOYSA-N",397453,NA,"PDBC20950","705311","Present",NA,NA
+"20951","3-Methyl-23-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-23-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-13-oxa-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,"CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C7C(C(C(C(O7)CO)O)O)O)C(=O)OC4=O","ICPVDKIIEXCNTO-UHFFFAOYSA-N",396693,NA,"PDBC20951","703292","Present",NA,NA
+"20952","3-Methyl-3,12,13,23-tetrazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Methyl-5,6,12,13-tetrahydro-7H-indolo[2,3-a]pyrazolo[...",NA,"CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6NC5=C31)C(=O)NN4","CPYGPRSACLAIHV-UHFFFAOYSA-N",155807034,NA,"PDBC20952","785683","Present",NA,NA
+"20953","3-Methyl-3,2-f]quinolin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-methyl-3,6-dihydro-pyttolo[3,2-f]quinolin-9-one",NA,"CN1C=CC2=C1C=CC3=C2C(=O)C=CN3","VMAOWZUJYBRICS-UHFFFAOYSA-N",406598,NA,"PDBC20953","724813","Present",NA,NA
+"20954","3-Methyl-3,5-diphenyl-1,3-thiazol-3-ium-2-thione;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-3,5-diphenyl-1,3-thiazol-3-ium-2-thione;iodide",NA,"C[N+]1(C=C(SC1=S)C2=CC=CC=C2)C3=CC=CC=C3.[I-]","KHIIQMNLHGUWOG-UHFFFAOYSA-M",24189815,NA,"PDBC20954","96517","Present",NA,NA
+"20955","3-Methyl-3,7-dihydro-2H-pyrrolo[3,4-c]pyridine-1,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrolo[3,4-c]pyridine-1,4,6(5H,7H)-trione, 2,3-dihyd...",NA,"CC1C2=C(CC(=O)NC2=O)C(=O)N1","AUXVOKFDPRBZMU-UHFFFAOYSA-N",278777,NA,"PDBC20955","128701","Present",NA,NA
+"20956","3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-3-(1-methyl-3-oxo-isobenzofuran-1-yl)isobenzofuran-1-one",NA,"CC1(C2=CC=CC=C2C(=O)O1)C3(C4=CC=CC=C4C(=O)O3)C","XCHFZQHAUQXSMG-UHFFFAOYSA-N",395477,NA,"PDBC20956","700118","Present",NA,NA
+"20957","3-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one",NA,"CC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC4=CC=CC=C43","YACSHPRFFGCFKV-UHFFFAOYSA-N",263305,NA,"PDBC20957","97703","Present",NA,NA
+"20958","3-Methyl-3-(2,3,4,5-tetramethyl-6-((3-methyl-3-thietanyl)methyl)benzyl)thietane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-3-(2,3,4,5-tetramethyl-6-((3-methyl-3-thietanyl)methyl)benzyl)thietane",NA,"CC1=C(C(=C(C(=C1C)CC2(CSC2)C)CC3(CSC3)C)C)C","YAHDSEDPAYUYBX-UHFFFAOYSA-N",421581,NA,"PDBC20958","135882","Present",NA,NA
+"20959","3-Methyl-3-(3-(2-methyl-1,3-dioxolan-2-yl)propyl)-2-pyrrolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-3-(3-(2-methyl-1,3-dioxolan-2-yl)propyl)-2-pyrrolidinone",NA,"CC1(CCNC1=O)CCCC2(OCCO2)C","SJFLALIFOJQCGU-UHFFFAOYSA-N",379162,NA,"PDBC20959","663575","Present",NA,NA
+"20960","3-Methyl-3-(3-(2-methyl-2-(3-(2-methyl-2-(3-(1-methyl-1-(2-methyl-1,3-dioxolan-2-yl)ethyl)-5-isoxazolyl)propyl)-5-isoxazolyl)propyl)-5-isoxazolyl)butanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-3-[3-[2-methyl-2-[3-[2-methyl-2-[3-[2-(2-methyl-1,3-dioxolan-2-yl)propan-2-yl]-1,2-oxazol-5-yl]propyl]-1,2-oxazol-5-yl]propyl]-1,2-oxazol-5-yl]butanenitrile",NA,"CC1(OCCO1)C(C)(C)C2=NOC(=C2)C(C)(C)CC3=NOC(=C3)C(C)(C)CC4=NOC(=C4)C(C)(C)CC#N","BAUSENVLYRYZBL-UHFFFAOYSA-N",388762,NA,"PDBC20960","683840","Present",NA,NA
+"20961","3-Methyl-3-(4-pentenyl)-2-azepanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-methyl-3-pent-4-enyl-azepan-2-one",NA,"CC1(CCCCNC1=O)CCCC=C","FAOGVEXBWUZQDE-UHFFFAOYSA-N",379160,NA,"PDBC20961","663573","Present",NA,NA
+"20962","3-Methyl-3-(4-pentenyl)-2-pyrrolidinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-3-(4-pentenyl)-2-pyrrolidinethione",NA,"CC1(CCNC1=S)CCCC=C","NGRXJNDOVLXBOF-UHFFFAOYSA-N",3004386,NA,"PDBC20962","649428","Present",NA,NA
+"20963","3-Methyl-3-butenyl trityl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-3-butenyl trityl ether",NA,"CC(=C)CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","RDDYHYGKXUBYPP-UHFFFAOYSA-N",371697,NA,"PDBC20963","646147","Present",NA,NA
+"20964","3-Methyl-3-nitropentane-1,5-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC116805",NA,"CC(CCN)(CCN)[N+](=O)[O-].Cl","JPIMZFWFRDKBEN-UHFFFAOYSA-N",24190931,NA,"PDBC20964","116805","Present",NA,NA
+"20965","3-Methyl-3-phenylglutaric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE45474",NA,"CC(CC(=O)O)(CC(=O)O)C1=CC=CC=C1","LEHVKCUBJITYCL-UHFFFAOYSA-N",77814,NA,"PDBC20965","51135","Present",NA,NA
+"20966","3-Methyl-4-(1-naphthylmethylene)-2-isoxazoline-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637191",NA,"CC1=NOC(=O)C1=CC2=CC=CC3=CC=CC=C32","JTAYVQUQWUDFTE-NTEUORMPSA-N",5388594,NA,"PDBC20966","637191","Present",NA,NA
+"20967","3-Methyl-4-(methylamino)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-(methylamino)-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1NC","HHGZVVVYIXJBFR-UHFFFAOYSA-N",384496,NA,"PDBC20967","674329","Present",NA,NA
+"20968","3-Methyl-4-(methylthio)-1,6-dihydropyrazolo[3,4-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-(methylthio)-1,6-dihydropyrazolo[3,4-c]pyrazole",NA,"CC1=C2C(=NN1)NN=C2SC","DNBZBBASYVFSHU-UHFFFAOYSA-N",392131,NA,"PDBC20968","692011","Present",NA,NA
+"20969","3-Methyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC(=C(C(=C2)OC)OC)OC","ITTIXTFRJUHYCD-VGOFMYFVSA-N",9556359,NA,"PDBC20969","698068","Present",NA,NA
+"20970","3-Methyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-[(E)-(4-nitrophenyl)methyleneamino]-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC=C(C=C2)[N+](=O)[O-]","MNEGBOAJBKZJJY-IZZDOVSWSA-N",9571940,NA,"PDBC20970","675221","Present",NA,NA
+"20971","3-Methyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC=C(O2)[N+](=O)[O-]","YDISGXWJLLQGGJ-RUDMXATFSA-N",9556348,NA,"PDBC20971","698057","Present",NA,NA
+"20972","3-Methyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CN=CC=C2","HWTFDIGCQCNHHO-IZZDOVSWSA-N",9556204,NA,"PDBC20972","674331","Present",NA,NA
+"20973","3-Methyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC=NC=C2","YBGNBNCDVBLDMA-IZZDOVSWSA-N",9571517,NA,"PDBC20973","676723","Present",NA,NA
+"20974","3-Methyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC=CS2","NXUJGPJPJDIRHG-WEVVVXLNSA-N",9556344,NA,"PDBC20974","698053","Present",NA,NA
+"20975","3-Methyl-4-cinnolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"V1G7II8M3G",NA,"CC1=NNC2=CC=CC=C2C1=O","YVRPDIPJOFBYAL-UHFFFAOYSA-N",257352,NA,"PDBC20975","85323","Present",NA,NA
+"20976","3-Methyl-4-methylsulfanyl-1-phenyl-6H-pyrazolo[3,4-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-methylsulfanyl-1-phenyl-2h-pyrazolo[4,5-d]pyrazole",NA,"CC1=NN(C2=C1C(=NN2)SC)C3=CC=CC=C3","HQJNDZZYKKRAJA-UHFFFAOYSA-N",135416168,NA,"PDBC20976","692012","Present",NA,NA
+"20977","3-Methyl-4-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-6-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-methylsulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidine-6-thiol",NA,"CC1=NN(C2=C1C(=NC(=S)N2)SC)C3=CC=CC=C3","PRTWOCDVTSDRHR-UHFFFAOYSA-N",135489876,NA,"PDBC20977","687605","Present",NA,NA
+"20978","3-Methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine-6-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-methylsulfanyl-1H-pyrazolo[3,4-d]pyrimidine-6-thiol",NA,"CC1=C2C(=NN1)NC(=S)N=C2SC","WCWHUSGSYQLCIV-UHFFFAOYSA-N",135406821,NA,"PDBC20978","692024","Present",NA,NA
+"20979","3-Methyl-4-methylsulfanyl-5-phenyl-6H-pyrazolo[3,4-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-methylsulfanyl-5-phenyl-6H-pyrazolo[3,4-c]pyrazole",NA,"CC1=NNC2=NN(C(=C12)SC)C3=CC=CC=C3","DQKZLNUCFPIQTM-UHFFFAOYSA-N",135450457,NA,"PDBC20979","692021","Present",NA,NA
+"20980","3-Methyl-4-phenylbutan-2-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-phenylbutan-2-amine;hydrochloride",NA,"CC(CC1=CC=CC=C1)C(C)N.Cl","UZPZONNDWJGFIQ-UHFFFAOYSA-N",5351727,NA,"PDBC20980","27118","Present",NA,NA
+"20981","3-Methyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N2C=CC=C2","AZLGNODBUCBVHL-UHFFFAOYSA-N",388866,NA,"PDBC20981","684059","Present",NA,NA
+"20982","3-Methyl-5,10-dihydro-10-phenophosphazinol 10-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-5,10-dihydro-10-phenophosphazinol 10-oxide",NA,"CC1=CC2=C(C=C1)P(=O)(C3=CC=CC=C3N2)O","IUROKZNOFFMIBO-UHFFFAOYSA-N",380774,NA,"PDBC20982","666485","Present",NA,NA
+"20983","3-Methyl-5-((2,3,4,5,6-pentafluorophenyl)(2,3,5,6-tetrafluoro-4-((3-methyl-5-isoxazolyl)methyl)phenyl)methyl)isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-5-[(2,3,4,5,6-pentafluorophenyl)-[2,3,5,6-tetrafluoro-4-[(3-methyl-1,2-oxazol-5-yl)methyl]phenyl]methyl]-1,2-oxazole",NA,"CC1=NOC(=C1)CC2=C(C(=C(C(=C2F)F)C(C3=CC(=NO3)C)C4=C(C(=C(C(=C4F)F)F)F)F)F)F","AFLQRFOTAXTUTJ-UHFFFAOYSA-N",380224,NA,"PDBC20983","665700","Present",NA,NA
+"20984","3-Methyl-5-(2,3,5,6-tetrafluoro-4-((3-methyl-5-isoxazolyl)methyl)benzyl)isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-5-(2,3,5,6-tetrafluoro-4-((3-methyl-5-isoxazolyl)methyl)benzyl)isoxazole",NA,"CC1=NOC(=C1)CC2=C(C(=C(C(=C2F)F)CC3=CC(=NO3)C)F)F","VAHGVYUAGUEWDF-UHFFFAOYSA-N",380225,NA,"PDBC20984","665701","Present",NA,NA
+"20985","3-Methyl-5-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-5-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one",NA,"CC1CN(C2=CC=CC=C2NC1=O)CC=C(C)C","BEWDKMOGBBLRIO-UHFFFAOYSA-N",377483,NA,"PDBC20985","658951","Present",NA,NA
+"20986","3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-5-(4-methylphenyl)-6-(trifluoromethyl)-3,6-dihydro-2H-1,3,4-oxadiazine",NA,"CC1=CC=C(C=C1)C2=NN(COC2C(F)(F)F)C","MHWGZIHZIRVXQE-UHFFFAOYSA-N",365916,NA,"PDBC20986","634038","Present",NA,NA
+"20987","3-Methyl-5-benzyl-6-amino-2-thiouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-5-benzyl-6-amino-2-thiouracil",NA,"CN1C(=O)C(=C(NC1=S)N)CC2=CC=CC=C2","PNCVULFMFMFJSM-UHFFFAOYSA-N",3005247,NA,"PDBC20987","685811","Present",NA,NA
+"20988","3-Methyl-5-nitro-1-benzofuran-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BFOGZBLYCKTATH-UHFFFAOYSA-N",NA,"CC1=C(OC2=C1C=C(C=C2)[N+](=O)[O-])C(=O)O","BFOGZBLYCKTATH-UHFFFAOYSA-N",361680,NA,"PDBC20988","624898","Present",NA,NA
+"20989","3-Methyl-5a,6-dihydrochromeno[2,3-b]indol-11-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-5a,6-dihydrochromeno[2,3-b]indol-11-ol",NA,"CC1=CC2=C(C=C1)C(=C3C(O2)NC4=CC=CC=C43)O","CLPXQTQQKSHKTM-UHFFFAOYSA-N",399532,NA,"PDBC20989","710396","Present",NA,NA
+"20990","3-Methyl-6,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,5(3H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6,7-dihydro-1H-pyrrolo[2,3-d]pyrimidine-2,4,5(3H)-trione",NA,"CN1C(=O)C2=C(NCC2=O)NC1=O","LEZQKCLIZROGNX-UHFFFAOYSA-N",363716,NA,"PDBC20990","628876","Present",NA,NA
+"20991","3-Methyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione",NA,"CN1C(=O)N2C(=C(N2C1=O)C3=CC=CC=C3)C4=CC=CC=C4","UXGVLWSRNQDDIF-UHFFFAOYSA-N",390082,NA,"PDBC20991","687026","Present",NA,NA
+"20992","3-Methyl-6,7-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6,7-diphenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=NN=C2N1N=C(C(S2)C3=CC=CC=C3)C4=CC=CC=C4","PMBPAOOWWJLTGA-UHFFFAOYSA-N",373414,NA,"PDBC20992","649669","Present",NA,NA
+"20993","3-Methyl-6-(1-methyl-5-oxopyrrolidin-2-yl)-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6-(1-methyl-5-oxopyrrolidin-2-yl)-1,3-benzoxazol-2(3H)-one",NA,"CN1C(CCC1=O)C2=CC3=C(C=C2)N(C(=O)O3)C","ULAUXTXQVSIIEA-UHFFFAOYSA-N",367276,NA,"PDBC20993","636826","Present",NA,NA
+"20994","3-Methyl-6-(2,4-dichloro-5-fluorophenyl)-7-(1,3-benzodioxole-5-ylmethylene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-7-(1,3-Benzodioxol-5-ylmethylidene)-6-(2,4-dichloro-5-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=NN=C2N1N=C(C(=CC3=CC4=C(C=C3)OCO4)S2)C5=CC(=C(C=C5Cl)Cl)F","FMGAOYKWXQMSRZ-ZWSORDCHSA-N",5471714,NA,"PDBC20994","713305","Present",NA,NA
+"20995","3-Methyl-6-(2,4-dichloro-5-fluorophenyl)-7-(3,4-dimethoxybenzylidene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-6-(2,4-Dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=NN=C2N1N=C(C(=CC3=CC(=C(C=C3)OC)OC)S2)C4=CC(=C(C=C4Cl)Cl)F","MLPPJSRGDCBKQG-WSVATBPTSA-N",5471715,NA,"PDBC20995","713306","Present",NA,NA
+"20996","3-Methyl-6-(2,4-dichloro-5-fluorophenyl)-7-(4-chlorobenzylidene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-7-[(4-Chlorophenyl)methylidene]-6-(2,4-dichloro-5-fluorophenyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=NN=C2N1N=C(C(=CC3=CC=C(C=C3)Cl)S2)C4=CC(=C(C=C4Cl)Cl)F","FUGFORRHXIHJIS-SOFYXZRVSA-N",5471713,NA,"PDBC20996","713304","Present",NA,NA
+"20997","3-Methyl-6-(4-phenylpiperazine-1-carbothioyl)-1,3-benzothiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6-(4-phenylpiperazine-1-carbothioyl)-1,3-benzothiazol-2-one",NA,"CN1C2=C(C=C(C=C2)C(=S)N3CCN(CC3)C4=CC=CC=C4)SC1=O","QFYCLSYOHWWOGI-UHFFFAOYSA-N",391468,NA,"PDBC20997","690673","Present",NA,NA
+"20998","3-Methyl-6-(5-nitrofuran-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6-(5-nitrofuran-2-yl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole",NA,"CC1=NN=C2N1N=C(S2)C3=CC=C(O3)[N+](=O)[O-]","NZMWNXYWYUPLMS-UHFFFAOYSA-N",399719,NA,"PDBC20998","710765","Present",NA,NA
+"20999","3-Methyl-6-(morpholine-4-carbothioyl)-1,3-benzothiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6-(morpholine-4-carbothioyl)-1,3-benzothiazol-2-one",NA,"CN1C2=C(C=C(C=C2)C(=S)N3CCOCC3)SC1=O","ZAMQPJIPHDHDDQ-UHFFFAOYSA-N",391465,NA,"PDBC20999","690670","Present",NA,NA
+"21000","3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzothiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzothiazol-2-one",NA,"CN1C2=C(C=C(C=C2)C(=S)N3CCCCC3)SC1=O","JXBLNGNVHOCCMV-UHFFFAOYSA-N",391467,NA,"PDBC21000","690672","Present",NA,NA
+"21001","3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6-(piperidine-1-carbothioyl)-1,3-benzoxazol-2-one",NA,"CN1C2=C(C=C(C=C2)C(=S)N3CCCCC3)OC1=O","ISISYPNKGRUUFG-UHFFFAOYSA-N",391464,NA,"PDBC21001","690669","Present",NA,NA
+"21002","3-Methyl-6-(trifluoromethyl)quinoxalin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6-(trifluoromethyl)quinoxalin-2-ol",NA,"CC1=NC2=C(C=CC(=C2)C(F)(F)F)NC1=O","ZCYLCBAIXBVSAF-UHFFFAOYSA-N",389440,NA,"PDBC21002","685522","Present",NA,NA
+"21003","3-Methyl-6-[5-(4-nitro-phenyl)-furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6-[5-(4-nitro-phenyl)-furan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"CC1=NN=C2N1N=C(CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]","CGAVXXISVXRFSV-UHFFFAOYSA-N",367880,NA,"PDBC21003","638046","Present",NA,NA
+"21004","3-Methyl-6-[5-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6-{5-oxo-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl}-1,3-benzoxazol-2(3H)-one",NA,"CN1C2=C(C=C(C=C2)C3CCC(=O)N3CC4=CSC(=N4)C5=CC=CC=C5)OC1=O","BCARQUSEFZIXEH-UHFFFAOYSA-N",367278,NA,"PDBC21004","636828","Present",NA,NA
+"21005","3-Methyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F1967-3280",NA,"CN1C(=O)C=C(NC1=O)N2CCCC2","CAZLPBSOICEWPG-UHFFFAOYSA-N",386639,NA,"PDBC21005","679096","Present",NA,NA
+"21006","3-Methyl-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-7,12-dihydro-5,7,12-triaza-indeno[1,2-a]fluorene",NA,"CC1=CC2=C(C=C1)NC3=C4C5=CC=CC=C5NC4=CN=C23","QFRLATDYDQXTBH-UHFFFAOYSA-N",365944,NA,"PDBC21006","634087","Present",NA,NA
+"21007","3-Methyl-7-(trifluoromethyl)-5H-phenophosphazinine 10-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-7-(trifluoromethyl)-5H-phenophosphazinin-10-ium 10-oxide",NA,"CC1=CC2=C(C=C1)[P+](=O)C3=C(N2)C=C(C=C3)C(F)(F)F","DETZBFYBBKBOTO-UHFFFAOYSA-N",6328833,NA,"PDBC21007","666486","Present",NA,NA
+"21008","3-Methyl-7-aza-3-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,9,11,13(17),14-hexaen-8-one;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-7-aza-3-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,9,11,13(17),14-hexaen-8-one;iodide",NA,"C[N+]1=C2C3=CC=CC4=C3C(=CC=C4)C(=O)N2CCC1.[I-]","KLMQAEGKWVPIOR-UHFFFAOYSA-M",364086,NA,"PDBC21008","629726","Present",NA,NA
+"21009","3-Methyl-8-(4-oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-8-(4-oxo-4-(2-thienyl)butyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",NA,"CN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3)C4=CC=CC=C4","AFVIOPKPKIJIMI-UHFFFAOYSA-N",380372,NA,"PDBC21009","665891","Present",NA,NA
+"21010","3-Methyl-8-(pentyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(pentyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-8-(pentyliminomethyl)-5-propan-2-yl-2-[1,6,7-trihydroxy-3-methyl-8-(pentyliminomethyl)-5-propan-2-ylnaphthalen-2-yl]naphthalene-1,6,7-triol",NA,"CCCCCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCCCC)O)O)C(C)C)O)O)C(C)C)O)O","BBVAWKRITDKJPY-UHFFFAOYSA-N",223889,NA,"PDBC21010","11981","Present",NA,NA
+"21011","3-Methyl-N-(2-nitrophenyl)-1,3-benzothiazol-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-N-(2-nitrophenyl)-1,3-benzothiazol-2-imine",NA,"CN1C2=CC=CC=C2SC1=NC3=CC=CC=C3[N+](=O)[O-]","AAYJCJQOGBMCHQ-UHFFFAOYSA-N",383261,NA,"PDBC21011","671375","Present",NA,NA
+"21012","3-Methylazepane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylazepane-2-thione",NA,"CC1CCCCNC1=S","NIFBHLVKSMMCNH-UHFFFAOYSA-N",3004920,NA,"PDBC21012","662782","Present",NA,NA
+"21013","3-Methylazepino[2,1-a]isoquinolin-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylazepino[2,1-a]isoquinolin-5(4H)-one",NA,"CC1=CC=C2C3=CC=CC=C3C=CN2C(=O)C1","WNFXVYJOBDTOOC-UHFFFAOYSA-N",379714,NA,"PDBC21013","664689","Present",NA,NA
+"21014","3-Methylbenzo[g][1]benzofuran-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylbenzo[g][1]benzofuran-4,5-dione",NA,"CC1=COC2=C1C(=O)C(=O)C3=CC=CC=C32","DUCWGVDQQLUJTG-UHFFFAOYSA-N",358639,NA,"PDBC21014","618650","Present",NA,NA
+"21015","3-Methylbenzo[g]isoquinolin-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylbenzo[g]isoquinolin-1-ol",NA,"CC1=CC2=CC3=CC=CC=C3C=C2C(=O)N1","OUQRGDPKEWFVAN-UHFFFAOYSA-N",378991,NA,"PDBC21015","662583","Present",NA,NA
+"21016","3-Methylbenzo[g]quinoxalin-2(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylbenzo[g]quinoxalin-2(1h)-one",NA,"CC1=NC2=CC3=CC=CC=C3C=C2NC1=O","WVSNNCAWNUZFHZ-UHFFFAOYSA-N",387560,NA,"PDBC21016","681483","Present",NA,NA
+"21017","3-Methylbut-2-enoic acid, 4-nitrophenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UWHFXNUVALKMIU-UHFFFAOYSA-N",NA,"CC(=CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C","UWHFXNUVALKMIU-UHFFFAOYSA-N",358311,NA,"PDBC21017","618272","Present",NA,NA
+"21018","3-Methylbut-2-enyl 5-methyl-2-[5-methyl-2-[(2S)-1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylbut-2-enyl 5-methyl-2-[5-methyl-2-[(2S)-1-[3-methyl-2-(2-methylbut-3-en-2-ylamino)butanoyl]pyrrolidin-2-yl]-1,3-oxazol-4-yl]-1,3-oxazole-4-carboxylate",NA,"CC1=C(N=C(O1)C2CCCN2C(=O)C(C(C)C)NC(C)(C)C=C)C3=NC(=C(O3)C)C(=O)OCC=C(C)C","PFXJYHPNSWNJBP-BGERDNNASA-N",390562,NA,"PDBC21018","688048","Present",NA,NA
+"21019","3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid",NA,"CC(=C=CP(=O)(C1=CC=CC=C1)O)C","VGXOLLDHRZHIIF-UHFFFAOYSA-N",380885,NA,"PDBC21019","666669","Present",NA,NA
+"21020","3-Methylcholanthrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC21970",NA,"CC1=C2CCC3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1","PPQNQXQZIWHJRB-UHFFFAOYSA-N",1674,NA,"PDBC21020","21970","Present",NA,NA
+"21021","3-Methylchrysene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylchrysene",NA,"CC1=CC2=C(C=C1)C=CC3=C2C=CC4=CC=CC=C43","JLIHUJWAXSZIHS-UHFFFAOYSA-N",18781,NA,"PDBC21021","135887","Present",NA,NA
+"21022","3-Methylidene-1-phenylbutane-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-3-methylene-1,4-butanediol",NA,"C=C(CC(C1=CC=CC=C1)O)CO","QRCPASPJZSIBLY-UHFFFAOYSA-N",359266,NA,"PDBC21022","619982","Present",NA,NA
+"21023","3-Methylidene-5-[(E)-3-methyl-4-(4-methylidene-5-oxooxolan-2-yl)but-2-enyl]oxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylidene-5-[(E)-3-methyl-4-(4-methylidene-5-oxooxolan-2-yl)but-2-enyl]oxolan-2-one",NA,"CC(=CCC1CC(=C)C(=O)O1)CC2CC(=C)C(=O)O2","HSGQEFWCDPPHTG-RUDMXATFSA-N",5388334,NA,"PDBC21023","634778","Present",NA,NA
+"21024","3-Methylidene-5-[2-methyl-4-(4-methylidene-5-oxooxolan-2-yl)-3-oxobutyl]oxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylidene-5-[2-methyl-4-(4-methylidene-5-oxooxolan-2-yl)-3-oxobutyl]oxolan-2-one",NA,"CC(CC1CC(=C)C(=O)O1)C(=O)CC2CC(=C)C(=O)O2","UXCJVXKXMQTIFR-UHFFFAOYSA-N",366410,NA,"PDBC21024","634779","Present",NA,NA
+"21025","3-Methylidene-7,9-bis(2-methylphenyl)-1,8-dioxaspiro[4.5]decan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylidene-7,9-bis(2-methylphenyl)-1,8-dioxaspiro[4.5]decan-2-one",NA,"CC1=CC=CC=C1C2CC3(CC(O2)C4=CC=CC=C4C)CC(=C)C(=O)O3","BLHJWESERKQLRX-UHFFFAOYSA-N",357608,NA,"PDBC21025","617131","Present",NA,NA
+"21026","3-Methylidenecyclopropane-1,2-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-00134",NA,"C=C1C(C1C(=O)O)C(=O)O","XZVHROKAQFFOCA-UHFFFAOYSA-N",360528,NA,"PDBC21026","622663","Present",NA,NA
+"21027","3-Methylpentyl 4-((4-(((4-(((3-methylpentyl)oxy)carbonyl)phenyl)imino)methyl)benzylidene)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylpentyl 4-[[4-[[4-(3-methylpentoxycarbonyl)phenyl]iminomethyl]phenyl]methylideneamino]benzoate",NA,"CCC(C)CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)OCCC(C)CC","XMYCPMVMVIJCBS-UHFFFAOYSA-N",367992,NA,"PDBC21027","638212","Present",NA,NA
+"21028","3-Methylrhodanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methylrhodanine",NA,"CN1C(=O)CSC1=S","JKLZCQWVERBDEZ-UHFFFAOYSA-N",72900,NA,"PDBC21028","14787","Present",NA,NA
+"21029","3-Methylspiro[1,3-benzoxazine-2,3'-benzo[f]chromene]-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylspiro[1,3-benzoxazine-2,3'-benzo[f]chromene]-4-one",NA,"CN1C(=O)C2=CC=CC=C2OC13C=CC4=C(O3)C=CC5=CC=CC=C54","RFMTWKVXSITTGM-UHFFFAOYSA-N",392254,NA,"PDBC21029","692395","Present",NA,NA
+"21030","3-Methylsulfanyl-2-[3-methylsulfanyl-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylsulfanyl-2-[3-methylsulfanyl-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-[4-methylsulfanyl-5-(3-methylsulfanylthiophen-2-yl)thiophen-2-yl]thiophene",NA,"CSC1=C(SC=C1)C2=C(C=C(S2)C3=CC(=C(S3)C4=C(C=C(S4)C5=CC(=C(S5)C6=C(C=CS6)SC)SC)SC)SC)SC","OTZXZPQSNKJFFH-UHFFFAOYSA-N",397607,NA,"PDBC21030","705948","Present",NA,NA
+"21031","3-Methylsulfanyl-2-[4-methylsulfanyl-5-[3-methylsulfanyl-5-(3-methylsulfanyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylsulfanyl-2-[4-methylsulfanyl-5-[3-methylsulfanyl-5-(3-methylsulfanyl-5-thiophen-2-ylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-thiophen-2-ylthiophene",NA,"CSC1=C(SC(=C1)C2=CC=CS2)C3=CC(=C(S3)C4=C(C=C(S4)C5=C(C=C(S5)C6=CC=CS6)SC)SC)SC","MWYVPOPDDHYVSI-UHFFFAOYSA-N",397606,NA,"PDBC21031","705947","Present",NA,NA
+"21032","3-Methylsulfanyl-3-[2-oxo-2-(1-piperidyl)ethyl]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylsulfanyl-3-[2-oxo-2-(1-piperidyl)ethyl]indolin-2-one",NA,"CSC1(C2=CC=CC=C2NC1=O)CC(=O)N3CCCCC3","DANLJVPCURZFLE-UHFFFAOYSA-N",326652,NA,"PDBC21032","298332","Present",NA,NA
+"21033","3-Methylsulfanyl-4-nitro-3-(2-pyridylmethyl)indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylsulfanyl-4-nitro-3-(2-pyridylmethyl)indolin-2-one",NA,"CSC1(C2=C(C=CC=C2[N+](=O)[O-])NC1=O)CC3=CC=CC=N3","UHHWDYRLXCGJSV-UHFFFAOYSA-N",392960,NA,"PDBC21033","694174","Present",NA,NA
+"21034","3-Methylsulfanyl-5-[(1R,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylsulfanyl-5-[(1R,2R)-2-(3,4,5-trimethoxyphenyl)cyclopropyl]-1H-pyrazole",NA,"COC1=CC(=CC(=C1OC)OC)C2CC2C3=CC(=NN3)SC","WANWQZGNPBQHPI-WDEREUQCSA-N",24203242,NA,"PDBC21034","727287","Present",NA,NA
+"21035","3-Methylsulfanyl-5-phenyl-1,4,2-dithiazol-4-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylsulfanyl-5-phenyl-1,4,2-dithiazol-4-ium;perchlorate",NA,"CSC1=NSC(=[S+]1)C2=CC=CC=C2.[O-]Cl(=O)(=O)=O","TWNKSDWZURRCSJ-UHFFFAOYSA-M",24202073,NA,"PDBC21035","622609","Present",NA,NA
+"21036","3-Methylsulfanyl-N,2-diphenyl-1,2,4-thiadiazol-5-imine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylsulfanyl-N,2-diphenyl-1,2,4-thiadiazol-5-imine;hydrochloride",NA,"CSC1=NC(=NC2=CC=CC=C2)SN1C3=CC=CC=C3.Cl","XHZKUHKJNAVXSV-UHFFFAOYSA-N",360456,NA,"PDBC21036","622591","Present",NA,NA
+"21037","3-Methylsulfanyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylsulfanyl-N,N-bis(3-methylsulfanylpropyl)propan-1-amine",NA,"CSCCCN(CCCSC)CCCSC","CTMLHDKKFMBSDI-UHFFFAOYSA-N",373739,NA,"PDBC21037","650638","Present",NA,NA
+"21038","3-Methylsulfanylspiro[1,2,4-triazinane-6,9'-fluorene]-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-methylsulfanylspiro[1,2,4-triazinane-6,9'-fluorene]-5-one",NA,"CSC1NC(=O)C2(C3=CC=CC=C3C4=CC=CC=C42)NN1","ANYJAMUCTBLJNG-UHFFFAOYSA-N",377326,NA,"PDBC21038","658727","Present",NA,NA
+"21039","3-Methylsulfonyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylsulfonyl-1,5,2,4-dioxadithiepane 2,2,4,4-tetraoxide",NA,"CS(=O)(=O)C1S(=O)(=O)OCCOS1(=O)=O","GYFGCYZQUPQHSE-UHFFFAOYSA-N",366455,NA,"PDBC21039","634864","Present",NA,NA
+"21040","3-Methylthieno[2,3-b]pyrrolizin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methylthieno[2,3-b]pyrrolizin-8-one",NA,"CC1=CSC2=C1N3C=CC=C3C2=O","HUBAOSNDBZSWPZ-UHFFFAOYSA-N",388522,NA,"PDBC21040","683506","Present",NA,NA
+"21041","3-Methylthiophene-2-carbaldehyde 1,3-benzothiazol-2-ylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK029050",NA,"CC1=C(SC=C1)C=NNC2=NC3=CC=CC=C3S2","ZRMZMTYKLUGUOI-RIYZIHGNSA-N",9556270,NA,"PDBC21041","683903","Present",NA,NA
+"21042","3-Methylthioxanthone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-9H-thioxanthen-9-one",NA,"CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2","BQFSURDUHGBXFL-UHFFFAOYSA-N",375103,NA,"PDBC21042","654115","Present",NA,NA
+"21043","3-Morpholin-4-yl-1,2-diphenylpropan-1-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Morpholin-4-yl-1,2-diphenylpropan-1-one;hydrobromide",NA,"C1COCCN1CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3.Br","JJJUWGNILOMGSK-UHFFFAOYSA-N",54599888,NA,"PDBC21043","33560","Present",NA,NA
+"21044","3-Morpholin-4-yl-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Morpholin-4-yl-N-(10-oxothiochromeno[3,2-b]pyridin-2-yl)propanamide",NA,"C1COCCN1CCC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O","RYFQGVLLMZWPCP-UHFFFAOYSA-N",383030,NA,"PDBC21044","671011","Present",NA,NA
+"21045","3-N,3-N,6-N,6-N,2,7-Hexamethylacridine-3,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,3-N,6-N,6-N,2,7-Hexamethylacridine-3,6-diamine;hydrochloride",NA,"CC1=CC2=CC3=C(C=C(C(=C3)C)N(C)C)N=C2C=C1N(C)C.Cl","FONHVKSFVXLRFA-UHFFFAOYSA-N",54602200,NA,"PDBC21045","33458","Present",NA,NA
+"21046","3-N,3-N-Dimethyl-7-N-phenyl-1lambda4,2,8-trithia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene-3,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,3-N-Dimethyl-7-N-phenyl-1lambda4,2,8-trithia-4,6-diazabicyclo[3.3.0]octa-1(5),3,6-triene-3,7-diamine",NA,"CN(C)C1=NC2=S(S1)SC(=N2)NC3=CC=CC=C3","ICPUAZMVXRAAMS-UHFFFAOYSA-N",360551,NA,"PDBC21046","622683","Present",NA,NA
+"21047","3-N,5-N-Bis(2,5-dimethoxyphenyl)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(2,5-dimethoxyphenyl)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=C(C=CC(=C2)OC)OC)C3=CC=CO3)C(=O)NC4=C(C=CC(=C4)OC)OC","DZCYBSHFCVALIQ-UHFFFAOYSA-N",359713,NA,"PDBC21047","621158","Present",NA,NA
+"21048","3-N,5-N-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2H-pyran-3-yl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3,N5-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2H-pyran-3-yl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=COC3)C(=O)NC4=CC=CC=C4OC","RPXRXMIVUUNFOA-UHFFFAOYSA-N",366933,NA,"PDBC21048","636097","Present",NA,NA
+"21049","3-N,5-N-Bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-methylpyrazole-3,5-dicarboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis[3-[2-chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-methylpyrazole-3,5-dicarboxamide;hydrochloride",NA,"CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC(=NN2C)C(=O)NC3=CC(=CC(=C3)CN(C)C)N(CC)CCCl)CN(C)C.Cl","JKQMTWMRPPFETR-UHFFFAOYSA-N",384795,NA,"PDBC21049","675250","Present",NA,NA
+"21050","3-N,5-N-Dibenzyl-4-[4-[3,5-bis(benzylcarbamoyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Dibenzyl-4-[4-[3,5-bis(benzylcarbamoyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NCC5=CC=CC=C5)C)C)C(=O)NCC6=CC=CC=C6)C(=O)NCC7=CC=CC=C7","ORBLKMPXMLXLKH-UHFFFAOYSA-N",365848,NA,"PDBC21050","633922","Present",NA,NA
+"21051","3-N,6-N,2,7-Tetramethylacridine-3,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,6-N,2,7-Tetramethylacridine-3,6-diamine;hydrochloride",NA,"CC1=CC2=CC3=C(C=C(C(=C3)C)NC)N=C2C=C1NC.Cl","CFKKFOIRBVHDTF-UHFFFAOYSA-N",54608353,NA,"PDBC21051","32967","Present",NA,NA
+"21052","3-N-(4-Chlorophenyl)-4-diphenylphosphoryl-1H-pyrazole-3,5-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N-(4-Chlorophenyl)-4-diphenylphosphoryl-1H-pyrazole-3,5-diamine",NA,"C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C3=C(NN=C3NC4=CC=C(C=C4)Cl)N","CFMNCCZHCNFIMV-UHFFFAOYSA-N",396781,NA,"PDBC21052","703560","Present",NA,NA
+"21053","3-Naphthyloxy-1-(4-phenylpiperazinyl)propan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Naphthyloxy-1-(4-phenylpiperazinyl)propan-2-ol",NA,"C1CN(CCN1CC(COC2=CC=CC3=CC=CC=C32)O)C4=CC=CC=C4","FJGNASVMAWJPOS-UHFFFAOYSA-N",260310,NA,"PDBC21053","91398","Present",NA,NA
+"21054","3-Nitro-10H-phenothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C12H8N2O2S",NA,"C1=CC=C2C(=C1)NC3=C(S2)C=C(C=C3)[N+](=O)[O-]","CLXYGCPNHLXLPD-UHFFFAOYSA-N",3838042,NA,"PDBC21054","675587","Present",NA,NA
+"21055","3-Nitro-12,13-dihydro-7H-[1,2,3]benzothiadiazolo[2,3-b][2,3]benzodiazepine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-12,13-dihydro-7H-[1,2,3]benzothiadiazolo[2,3-b][2,3]benzodiazepine 5,5-dioxide",NA,"C1CN2C3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)N2CC4=CC=CC=C41","LNKWMYMEDLAPTB-UHFFFAOYSA-N",384991,NA,"PDBC21055","675818","Present",NA,NA
+"21056","3-Nitro-2-(phenylsulfonyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3NO2-2Pyrid-SO2-Ph",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=C(C=CC=N2)[N+](=O)[O-]","QBXNQOWQGUPAEO-UHFFFAOYSA-N",371687,NA,"PDBC21056","646125","Present",NA,NA
+"21057","3-Nitro-2-phenyl-3,4-dihydro-2H-chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-2-phenyl-3,4-dihydro-2H-chromene",NA,"C1C(C(OC2=CC=CC=C21)C3=CC=CC=C3)[N+](=O)[O-]","DABPXYGKUXLBGY-UHFFFAOYSA-N",359822,NA,"PDBC21057","621387","Present",NA,NA
+"21058","3-Nitro-3-propylpentane-1,5-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680478",NA,"CCCC(CCN)(CCN)[N+](=O)[O-].Cl","QIOGPOYCPOJBOD-UHFFFAOYSA-N",387086,NA,"PDBC21058","680478","Present",NA,NA
+"21059","3-Nitro-4-(phenoxathiin-2-ylamino)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-4-(phenoxathiin-2-ylamino)-2h-chromen-2-one",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC4=C(C=C3)OC5=CC=CC=C5S4","LAMZEUIOTMVVRV-UHFFFAOYSA-N",403316,NA,"PDBC21059","718022","Present",NA,NA
+"21060","3-Nitro-4-(phenylsulfonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3NO2-4(PhSO2)PhCOOH",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]","NKBSXLBFGRVHDX-UHFFFAOYSA-N",371685,NA,"PDBC21060","646123","Present",NA,NA
+"21061","3-Nitro-5-formylisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-5-formylisoxazole",NA,"C1=C(ON=C1[N+](=O)[O-])C=O","QBOPICQGFGIYPY-UHFFFAOYSA-N",362479,NA,"PDBC21061","626433","Present",NA,NA
+"21062","3-Nitro-5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-5-oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,"C1=CC=C2C(=C1)NC3=C(C(=O)C4=C(N23)C=CC(=C4)[N+](=O)[O-])C#N","MLEQRFGZOBZSCD-UHFFFAOYSA-N",391674,NA,"PDBC21062","691216","Present",NA,NA
+"21063","3-Nitro-9-nitrosocarbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-nitro-9-nitrosocarbazole",NA,"C1=CC=C2C(=C1)C3=C(N2N=O)C=CC(=C3)[N+](=O)[O-]","UTBGPZHMURQBBF-UHFFFAOYSA-N",79363,NA,"PDBC21063","4702","Present",NA,NA
+"21064","3-Nitro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,"CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]","FUDPUFLKNQGOSE-UHFFFAOYSA-N",369936,NA,"PDBC21064","642303","Present",NA,NA
+"21065","3-Nitro-N-(2,4,6-trimethylphenyl)benzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-N-(2,4,6-trimethylphenyl)benzenesulfinamide",NA,"CC1=CC(=C(C(=C1)C)NS(=O)C2=CC=CC(=C2)[N+](=O)[O-])C","WXIPTMNGQMLYBN-UHFFFAOYSA-N",375382,NA,"PDBC21065","655053","Present",NA,NA
+"21066","3-Nitro-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-N-(4-oxo-2-phenyl-quinazolin-3-yl)benzamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]","NYEGPZCFMPCJMW-UHFFFAOYSA-N",376422,NA,"PDBC21066","657336","Present",NA,NA
+"21067","3-Nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)S(=O)(=O)N","CJCAHWZPHQVRDD-UHFFFAOYSA-N",394899,NA,"PDBC21067","698991","Present",NA,NA
+"21068","3-Nitro-N-[2-[2-[(3-nitroacridin-9-yl)amino]phenyl]phenyl]acridin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-N-[2-[2-[(3-nitroacridin-9-yl)amino]phenyl]phenyl]acridin-9-amine",NA,"C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=CC=C4C5=CC=CC=C5NC6=C7C=CC(=CC7=NC8=CC=CC=C86)[N+](=O)[O-]","ISSSEOSGVUQSEM-UHFFFAOYSA-N",3694250,NA,"PDBC21068","645158","Present",NA,NA
+"21069","3-Nitro-N-pyridin-3-ylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_036338",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=CN=CC=C2","SUFBXXRIPSNILO-UHFFFAOYSA-N",308753,NA,"PDBC21069","210816","Present",NA,NA
+"21070","3-Nitro-benzoic acid (2-hydroxy-benzylidene)-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, m-nitro-, salicylidenehydrazide",NA,"C1=CC=C(C(=C1)C=NNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])O","RMHSVTCXLRMIRJ-OQLLNIDSSA-N",135408681,NA,"PDBC21070","58539","Present",NA,NA
+"21071","3-Nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m-Nitrobenzamide",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)N","KWAYEPXDGHYGRW-UHFFFAOYSA-N",12576,NA,"PDBC21071","37327","Present",NA,NA
+"21072","3-Nitrobenzanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitrobenzanilide",NA,"C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]","VWIRWLAPFZXYSL-UHFFFAOYSA-N",347755,NA,"PDBC21072","406596","Present",NA,NA
+"21073","3-Nitrodibenzothiophene-5-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitrodibenzothiophene-5-oxide",NA,"C1=CC=C2C(=C1)C3=C(S2=O)C=C(C=C3)[N+](=O)[O-]","BBSNLPXHXFJCJE-UHFFFAOYSA-N",5361852,NA,"PDBC21073","170578","Present",NA,NA
+"21074","3-Nitronaphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-1,2-naphthoquinone",NA,"C1=CC=C2C(=C1)C=C(C(=O)C2=O)[N+](=O)[O-]","YNWHDIBCLPJLPQ-UHFFFAOYSA-N",344277,NA,"PDBC21074","401101","Present",NA,NA
+"21075","3-Nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitroso-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-9-one",NA,"C1CC2C(N(C(C(C1)C2=O)C3=CC=CC=C3)N=O)C4=CC=CC=C4","SOUCXSPGNDLPLZ-UHFFFAOYSA-N",362611,NA,"PDBC21075","626741","Present",NA,NA
+"21076","3-O-(2-Nitrooxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Nitrooxy)ethyl propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-]","UUVQSTXXCLOSJD-UHFFFAOYSA-N",382117,NA,"PDBC21076","669510","Present",NA,NA
+"21077","3-O-(2-Nitrooxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Nitrooxy)ethyl propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCO[N+](=O)[O-]","HMBFMVGEQHJWAS-UHFFFAOYSA-N",382120,NA,"PDBC21077","669513","Present",NA,NA
+"21078","3-O-(2-Nitrooxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-(2-Nitrooxyethyl) 5-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(C)C)C2=CC=CC=C2C(F)(F)F)C(=O)OCCO[N+](=O)[O-]","JSLJMTKGMNOXIC-UHFFFAOYSA-N",382114,NA,"PDBC21078","669507","Present",NA,NA
+"21079","3-O-(Carboxymethyl)estrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC86467",NA,"CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OCC(=O)O","XSDCLHQDGODZPZ-WWNBULGVSA-N",225289,NA,"PDBC21079","86467","Present",NA,NA
+"21080","3-O-Acetyl-4,6-dideoxy-1,2-O-ethenylidene-4-(((2,2,2-trichloroethoxy)carbonyl)amino)hexopyranose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Methyl-2-methylidene-6-(2,2,2-trichloroethoxycarbonylamino)-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-7-yl] acetate",NA,"CC1C(C(C2C(O1)OC(=C)O2)OC(=O)C)NC(=O)OCC(Cl)(Cl)Cl","LWLULDBWIUTAFQ-UHFFFAOYSA-N",375640,NA,"PDBC21080","655462","Present",NA,NA
+"21081","3-O-Methyl-16-benzoylethenyl-17-(thien-3-yl)-estra-1,5(10),16-tetraen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-Methyl-16-benzoylethenyl-17-(thien-3-yl)-estra-1,3,5...",NA,"CC12CCC3C(C1CC(=C2C4=CSC=C4)C=CC(=O)C5=CC=CC=C5)CCC6=C3C=CC(=C6)OC","VNQJZUDOVFXSON-RZDIZFASSA-N",45027910,NA,"PDBC21081","740083","Present",NA,NA
+"21082","3-O-Methyl-16-benzoylethenylestra-1,5(10),16-tetraen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-Methyl-16-benzoylethenylestra-1,3,5(10),16-tetraen-3-ol",NA,"CC12CCC3C(C1CC(=C2)C=CC(=O)C4=CC=CC=C4)CCC5=C3C=CC(=C5)OC","GITBNXSQSDKQSB-WWRPRQMMSA-N",45027973,NA,"PDBC21082","740365","Present",NA,NA
+"21083","3-O-Methyl-16-formyl-17-(2'-furyl)estra-1,5(10),16-tetraen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-Methyl-16-formyl-17-(2'-furyl)estra-1,3,5(10),16-tet...",NA,"CC12CCC3C(C1CC(=C2C4=CC=CO4)C=O)CCC5=C3C=CC(=C5)OC","XHRARAYRNOJEQI-YOEKFXIASA-N",24204972,NA,"PDBC21083","733795","Present",NA,NA
+"21084","3-O-Methyl-estra-1,5(10)-trien-3-ol-17-one 17-oxime 17-O-phenylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-Methyl-estra-1,3,5(10)-trien-3-ol-17-one 17-oxime 17...",NA,"CC12CCC3C(C1CCC2=NOC(=O)CC4=CC=CC=C4)CCC5=C3C=CC(=C5)OC","JRYOKDUARZCSPH-QJSJZQIFSA-N",24205113,NA,"PDBC21084","734306","Present",NA,NA
+"21085","3-O-Methylestra-1,5(10),6-tetraeno[17,16b]-N-methyl-3'-met hoxy-5'-nitroindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-Methylestra-1,3,5(10),6-tetraeno[17,16b]-N-methyl-3'...",NA,"CC12CCC3C(C1CC4=C2N(C5=C4C=C(C=C5OC)[N+](=O)[O-])C)CCC6=C3C=CC(=C6)OCC7=CC=CC=C7","PIYBTMQPZAMKNB-WXZAPTBBSA-N",24205281,NA,"PDBC21085","734938","Present",NA,NA
+"21086","3-O-[2-Azidoethoxy(hydroxy)phosphoryl]-2-O-dodecoyl-1-O-dodecylglycerol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-[2-Azidoethoxy(hydroxy)phosphoryl]-2-O-dodecoyl-1-O-...",NA,"CCCCCCCCCCCCOCC(COP(=O)(O)OCCN=[N+]=[N-])OC(=O)CCCCCCCCCCC","ZNAMFYVUJHBMPW-UHFFFAOYSA-N",392614,NA,"PDBC21086","693170","Present",NA,NA
+"21087","3-O-[[(1R,7S)-7-Ethenyl-4b-hydroxy-1,4a,7-trimethyl-2,3,4,5,6,8,8a,9,10,10a-decahydrophenanthren-1-yl]methyl] 1-O-methyl propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-O-[[(1R,7S)-7-Ethenyl-4b-hydroxy-1,4a,7-trimethyl-2,3,4,5,6,8,8a,9,10,10a-decahydrophenanthren-1-yl]methyl] 1-O-methyl propanedioate",NA,"CC1(CCC2(C(C1)CCC3C2(CCCC3(C)COC(=O)CC(=O)OC)C)O)C=C","XDJJITKEIQBIQA-OKAZQSHSSA-N",5459206,NA,"PDBC21087","646016","Present",NA,NA
+"21088","3-Oxa-1-aza-2$l^{2}-iridabicyclo[3.3.0]octan-4-one; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oxa-1-aza-2$l^{2}-iridabicyclo[3.3.0]octan-4-one; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC21088","658198","Present",NA,NA
+"21089","3-Oxatricyclo[7.3.1.05,13]tridecane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oxatricyclo[7.3.1.05,13]tridecane-2,4-dione",NA,"C1CC2CCCC3C2C(C1)C(=O)OC3=O","WDIMUBDLUKCUID-UHFFFAOYSA-N",304952,NA,"PDBC21089","201680","Present",NA,NA
+"21090","3-Oxazolidinecarbothioamide, 2-imino-N-phenyl-5-[(4-phenyl-1-piperazinyl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oxazolidinecarbothioamide, 2-imino-N-phenyl-5-[(4-phenyl-1-piperazinyl)methyl]-",NA,"C1CN(CCN1CC2CN(C(=N)O2)C(=S)NC3=CC=CC=C3)C4=CC=CC=C4","DLNAGIRFNFNTOI-UHFFFAOYSA-N",3003536,NA,"PDBC21090","690605","Present",NA,NA
+"21091","3-Oxido-2-phenyl-1,3-benzoxazol-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-oxido-2-phenyl-1,3-benzoxazol-3-ium",NA,"C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3O2)[O-]","KMWQCJBXVNPTKP-UHFFFAOYSA-N",367133,NA,"PDBC21091","636520","Present",NA,NA
+"21092","3-Oxido-5-phenyl-[1,2,5]oxadiazolo[3,4-c]quinolin-3-ium-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-4-oxo-oxadiazolo(5,4-c)quinolin-3-N-oxide (furo...",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=NO[N+](=C4C2=O)[O-]","GBTABEKZHZKBOU-UHFFFAOYSA-N",387476,NA,"PDBC21092","681279","Present",NA,NA
+"21093","3-Oxido-7-phenyl-triazolo[4,5-g][2,1,3]benzoxadiazol-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-[1,2,3]Triazolo[4,5-e]-2,1-3-benzoxadiazole, 7-phenyl...",NA,"C1=CC=C(C=C1)N2N=C3C=CC4=[N+](ON=C4C3=N2)[O-]","OYDOZGXSGKAQOH-UHFFFAOYSA-N",379424,NA,"PDBC21093","663966","Present",NA,NA
+"21094","3-Oxo-2-phenyl-3,5-dihydro-2H-pyrazolo(3,4-d)thieno(2,3-b)pyridine-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Pyrazolo[3,4-d]thieno[2,3-b]pyridine-7-carboxylic aci...",NA,"C1=CC=C(C=C1)N2C(=O)C3=CN=C4C(=C3N2)C=C(S4)C(=O)O","HBGFUURNRFSZLN-UHFFFAOYSA-N",374930,NA,"PDBC21094","653543","Present",NA,NA
+"21095","3-Oxo-3-phenyl-1-propynyl(phenyl)phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oxo-3-phenyl-1-propynyl(phenyl)phosphinic acid",NA,"C1=CC=C(C=C1)C(=O)C#CP(=O)(C2=CC=CC=C2)O","JRNHECCROQCCDW-UHFFFAOYSA-N",380897,NA,"PDBC21095","666679","Present",NA,NA
+"21096","3-Oxo-3-phenyl-propionimidic acid ethyl ester hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NRLDWWRFCBQNPX-UHFFFAOYSA-N",NA,"CCOC(=N)CC(=O)C1=CC=CC=C1.Cl","NRLDWWRFCBQNPX-UHFFFAOYSA-N",359953,NA,"PDBC21096","621666","Present",NA,NA
+"21097","3-Oxo-4-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oxo-4-[(4-sulfophenyl)hydrazinylidene]naphthalene-2-carboxylic acid",NA,"C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)O)C(=O)O","NOUGILLUWOKUKU-UHFFFAOYSA-N",281356,NA,"PDBC21097","134138","Present",NA,NA
+"21098","3-Oxo-4-androstene-2-carbonitrile-4,17beta-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oxo-4-androstene-2-carbonitrile-4,17.beta.-diol",NA,"CC12CCC3C(C1CCC2O)CCC4=C(C(=O)C(CC34C)C#N)O","OWPZGBFPVXSVIP-JQATYNBUSA-N",362463,NA,"PDBC21098","626412","Present",NA,NA
+"21099","3-Oxo-6-heptenoic acid benzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oxo-6-heptenoic acid benzyl ester",NA,"C=CCCC(=O)CC(=O)OCC1=CC=CC=C1","PRKFQOVBXGIFTE-UHFFFAOYSA-N",359299,NA,"PDBC21099","620047","Present",NA,NA
+"21100","3-Oxo-8-azabicyclo[3.2.1]octane-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Cyano-8-azabicyclo[3.2.1]octan-3-one",NA,"C1CC2CC(=O)CC1N2C#N","ABNFNHUEWPDNCU-UHFFFAOYSA-N",384304,NA,"PDBC21100","673919","Present",NA,NA
+"21101","3-Oxo-N-phenyl-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oxo-N-phenyl-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide",NA,"C1CCN(CC1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4","RQYCPDRSXZCLTC-UHFFFAOYSA-N",386788,NA,"PDBC21101","679496","Present",NA,NA
+"21102","3-Oxo-N-phenyl-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oxo-N-phenyl-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide",NA,"C1C(N(N=C1N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4)C5=CC=CC=C5","LATBMLLCWMFQGJ-UHFFFAOYSA-N",389693,NA,"PDBC21102","686237","Present",NA,NA
+"21103","3-Oxo-n-[2-(trifluoromethyl)phenyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK711023",NA,"CC(=O)CC(=O)NC1=CC=CC=C1C(F)(F)F","VATRWWPJWVCZTA-UHFFFAOYSA-N",366757,NA,"PDBC21103","635530","Present",NA,NA
+"21104","3-Oxospiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[s-indacene-2(1H),2'-[2H]indene]-8-carboxylic acid,...",NA,"C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4=O)C(=C2C1)C(=O)O","JJJOCVOYRWCBRA-UHFFFAOYSA-N",384728,NA,"PDBC21104","674964","Present",NA,NA
+"21105","3-PEG FUDR   (PEG FLOXURIDINE)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-PEG FUDR   (PEG FLOXURIDINE)",NA,NA,NA,NA,NA,"PDBC21105","744673","Present",NA,NA
+"21106","3-Pent-4-enylpiperidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pent-4-enylpiperidine-2-thione",NA,"C=CCCCC1CCCNC1=S","DJAKUKPDSYXTKU-UHFFFAOYSA-N",3004384,NA,"PDBC21106","649425","Present",NA,NA
+"21107","3-Phenanthrenemethanol, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: l b666j eyq1n2&2 &gh",NA,"CCN(CC)CC(C1=CC2=C(C=CC3=CC=CC=C32)C=C1)O.Cl","DSEVZPBSGUGCAY-UHFFFAOYSA-N",24180872,NA,"PDBC21107","2052","Present",NA,NA
+"21108","3-Phenanthrenepropionic acid, hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-PHENANTHRENEPROPIONIC ACID, HYDRAZIDE",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCC(=O)NN","DWPVXPWVRGYTRD-UHFFFAOYSA-N",219939,NA,"PDBC21108","1760","Present",NA,NA
+"21109","3-Phenethyl-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenethyl-2,4-dihydro-1H-thiochromeno[2,3-d]pyrimidin-5-one",NA,"C1C2=C(NCN1CCC3=CC=CC=C3)SC4=CC=CC=C4C2=O","XYDKCXQTDWLPCO-UHFFFAOYSA-N",389844,NA,"PDBC21109","686476","Present",NA,NA
+"21110","3-Phenoxy-2,4,5-triphenyl-3,4-dihydro-2H-1,2,3-diazaphosphole 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenoxy-2,4,5-triphenyl-3,4-dihydro-2H-1,2,3-diazaphosphole 3-oxide",NA,"C1=CC=C(C=C1)C2C(=NN(P2(=O)OC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","KLAWGOKDMUSYCT-UHFFFAOYSA-N",370142,NA,"PDBC21110","642778","Present",NA,NA
+"21111","3-Phenoxy-2,4-dihydro-1H-pyrido[3,4-d]azaphosphinine 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenoxy-2,4-dihydro-1H-pyrido[3,4-d]azaphosphinine 3-oxide",NA,"C1C2=C(CP(=O)(N1)OC3=CC=CC=C3)C=NC=C2","JHEWROPSJRNKOB-UHFFFAOYSA-N",395842,NA,"PDBC21111","700845","Present",NA,NA
+"21112","3-Phenoxy-7-acetoxycoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenoxy-7-acetoxycoumarin",NA,"CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC=CC=C3","RRCRHRVUNXOHES-UHFFFAOYSA-N",386363,NA,"PDBC21112","678247","Present",NA,NA
+"21113","3-Phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-1,13b-dihydro-4H-[1,2,4]triazino[4,3-f]phenanthridine",NA,"C1C(=NNC2N1C3=CC=CC=C3C4=CC=CC=C24)C5=CC=CC=C5","FAYPZHNTUGZDIX-UHFFFAOYSA-N",290348,NA,"PDBC21113","153625","Present",NA,NA
+"21114","3-Phenyl-1-piperidino-2-propyn-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-phenyl-1-piperidino-2-propyn-1-one",NA,"C1CCN(CC1)C(=O)C#CC2=CC=CC=C2","UZCUKRQNGYSLLG-UHFFFAOYSA-N",99266,NA,"PDBC21114","203232","Present",NA,NA
+"21115","3-Phenyl-1-pyridin-2-yl-1,2,4-benzotriazin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-phenyl-1-pyridin-2-yl-1,2,4-benzotriazin-7(1H)-one",NA,"C1=CC=C(C=C1)C2=NN(C3=CC(=O)C=CC3=N2)C4=CC=CC=N4","DWUMNFNYQYDEEC-UHFFFAOYSA-N",155816849,NA,"PDBC21115","780816","Present",NA,NA
+"21116","3-Phenyl-2,3-dihydropyrrolizin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-2,3-dihydropyrrolizin-1-one",NA,"C1C(N2C=CC=C2C1=O)C3=CC=CC=C3","SORGYBPGEGZLST-UHFFFAOYSA-N",389729,NA,"PDBC21116","686321","Present",NA,NA
+"21117","3-Phenyl-2-(3-phenyl-1H-indol-2-yl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-2-(3-phenyl-1H-indol-2-yl)-1H-indole",NA,"C1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=C(C5=CC=CC=C5N4)C6=CC=CC=C6","JTJIDXMVHNOQFC-UHFFFAOYSA-N",403192,NA,"PDBC21117","717844","Present",NA,NA
+"21118","3-Phenyl-2-(piperazin-1-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-2-(piperazin-1-ylmethyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one",NA,"C1CCC2=C(C1)C3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)CN5CCNCC5","ZVWVSENURKSMAZ-UHFFFAOYSA-N",394568,NA,"PDBC21118","698133","Present",NA,NA
+"21119","3-Phenyl-2-(prop-2-ynylamino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Propynyl)phenylalanine",NA,"C#CCNC(CC1=CC=CC=C1)C(=O)O","HVEVLKKVVGKBPS-UHFFFAOYSA-N",393710,NA,"PDBC21119","696223","Present",NA,NA
+"21120","3-Phenyl-2-[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidine-hydrazono]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-phenyl-2-[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidi...",NA,"CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN=C3N(C(=O)CS3)C4=CC=CC=C4","BFLHKUIPCYCBAO-ISURTVLTSA-N",9572521,NA,"PDBC21120","720056","Present",NA,NA
+"21121","3-Phenyl-2-[1,1,4-trimethyl-4-(3-phenyloxaziridin-2-yl)pentyl]oxaziridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-2-[1,1,4-trimethyl-4-(3-phenyloxaziridin-2-yl)pentyl]oxaziridine",NA,"CC(C)(CCC(C)(C)N1C(O1)C2=CC=CC=C2)N3C(O3)C4=CC=CC=C4","ZVYPDPQJQPXXNB-UHFFFAOYSA-N",391643,NA,"PDBC21121","691129","Present",NA,NA
+"21122","3-Phenyl-2-thia-3a,10-diaza-1H,3H-pentaleno[1,2-b]naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Phenyl-13-thia-11,16-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,15-hexaene",NA,"C1C2=NC3=CC4=CC=CC=C4C=C3N2C(S1)C5=CC=CC=C5","DQRKXWZEFXOJFA-UHFFFAOYSA-N",388799,NA,"PDBC21122","683886","Present",NA,NA
+"21123","3-Phenyl-3,4,7,8,9,10-hexahydro-11H-[1]benzothieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-17-thia-2,5,7,8-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one",NA,"C1CCC2=C(C1)C3=C(S2)N=C4CN(C=NN4C3=O)C5=CC=CC=C5","VKRUNRAUMSSKDX-UHFFFAOYSA-N",390739,NA,"PDBC21123","688498","Present",NA,NA
+"21124","3-Phenyl-3-(2-pyridinyl)-2-pyrrolidinimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-3-(2-pyridinyl)-2-pyrrolidinimine",NA,"C1CN=C(C1(C2=CC=CC=C2)C3=CC=CC=N3)N","BUXCXIMTSPEAGF-UHFFFAOYSA-N",364691,NA,"PDBC21124","631343","Present",NA,NA
+"21125","3-Phenyl-3-(3-(1-piperidinyl)propyl)-2-oxaspiro[4.4]nonan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-3-(3-(1-piperidinyl)propyl)-2-oxaspiro[4.4]nonan-1-one",NA,"C1CCN(CC1)CCCC2(CC3(CCCC3)C(=O)O2)C4=CC=CC=C4","NSFNYNUCADHZSX-UHFFFAOYSA-N",380240,NA,"PDBC21125","665719","Present",NA,NA
+"21126","3-Phenyl-3-(phenylsulfanyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC12770",NA,"C1=CC=C(C=C1)C(CC(=O)O)SC2=CC=CC=C2","CDSMEKVWCGNQNJ-UHFFFAOYSA-N",224379,NA,"PDBC21126","12770","Present",NA,NA
+"21127","3-Phenyl-3a,4,11,11a-tetrahydro[1,6]benzodioxocino[3,4-d]isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-3a,4,11,11a-tetrahydro[1,6]benzodioxocino[3,4-d]isoxazole",NA,"C1C2C(COC3=CC=CC=C3O1)ON=C2C4=CC=CC=C4","IIAKATNTLDMOGD-UHFFFAOYSA-N",365775,NA,"PDBC21127","633846","Present",NA,NA
+"21128","3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4,5-bis(phenylimino)-1,3-thiazolidine-2-thione",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=S)N2C4=CC=CC=C4","NZMXBTYRQWCQMS-UHFFFAOYSA-N",383236,NA,"PDBC21128","671351","Present",NA,NA
+"21129","3-Phenyl-4,6-dihydro-[1,2,4]triazino[3,4-a]phthalazin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4h-[1,2,4]triazino[3,4-a]phthalazin-7(6h)-one",NA,"C1C(=NN=C2N1NC(=O)C3=CC=CC=C32)C4=CC=CC=C4","RDFSDFSADMCVKD-UHFFFAOYSA-N",406138,NA,"PDBC21129","724137","Present",NA,NA
+"21130","3-Phenyl-4-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N3C=NN=C3","BJBJFAOIDLIHGT-UHFFFAOYSA-N",387572,NA,"PDBC21130","681529","Present",NA,NA
+"21131","3-Phenyl-4-(1-piperidinyl)-2H-furo[2,3-h]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4-(1-piperidinyl)-2H-furo[2,3-h]chromen-2-one",NA,"C1CCN(CC1)C2=C(C(=O)OC3=C2C=CC4=C3C=CO4)C5=CC=CC=C5","XIQSAVRUNYLUBQ-UHFFFAOYSA-N",362854,NA,"PDBC21131","627258","Present",NA,NA
+"21132","3-Phenyl-4-(phenyliminomethyl)-2H-1,2-oxazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4-(phenyliminomethyl)-2H-1,2-oxazole-5-thione",NA,"C1=CC=C(C=C1)C2=C(C(=S)ON2)C=NC3=CC=CC=C3","NIPUVEQOMNBTGO-UHFFFAOYSA-N",3259678,NA,"PDBC21132","619161","Present",NA,NA
+"21133","3-Phenyl-4-(trimethylsilyl)-3-butenyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4-(trimethylsilyl)-3-butenyl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCCC(=C[Si](C)(C)C)C2=CC=CC=C2","CJQOKONQGSFPPB-KNTRCKAVSA-N",5386719,NA,"PDBC21133","617353","Present",NA,NA
+"21134","3-Phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"COC1=CC(=CC(=C1OC)OC)C=NN2C(=NNC2=O)C3=CC=CC=C3","NKDCDUBMDHRUOO-YBFXNURJSA-N",9556392,NA,"PDBC21134","702400","Present",NA,NA
+"21135","3-Phenyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4-[(E)-3-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CN=CC=C3","OAFQNSZMDGQKQH-MHWRWJLKSA-N",9571951,NA,"PDBC21135","677778","Present",NA,NA
+"21136","3-Phenyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4-[(E)-4-pyridylmethyleneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=NC=C3","UZVUYTGFIYCSMG-MHWRWJLKSA-N",9571525,NA,"PDBC21136","678399","Present",NA,NA
+"21137","3-Phenyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CS3","OJHJXKXXNKAHRS-NTEUORMPSA-N",9556347,NA,"PDBC21137","698056","Present",NA,NA
+"21138","3-Phenyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4-pyrrol-1-yl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N3C=CC=C3","WRTUXDZNZDHHAK-UHFFFAOYSA-N",388867,NA,"PDBC21138","684060","Present",NA,NA
+"21139","3-Phenyl-4-vinyl-9H-pyrido[2,3-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-4-vinyl-9H-pyrido[2,3-b]indole",NA,"C=CC1=C2C3=CC=CC=C3NC2=NC=C1C4=CC=CC=C4","ROLHPJCFNDUCCY-UHFFFAOYSA-N",373945,NA,"PDBC21139","650977","Present",NA,NA
+"21140","3-Phenyl-5,7-bis(sulfanyl)thiazolo[4,5-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-5,7-bis(sulfanyl)thiazolo[4,5-d]pyrimidine-2-thione",NA,"C1=CC=C(C=C1)N2C3=C(C(=S)NC(=S)N3)SC2=S","LHPBLARKAFXYFQ-UHFFFAOYSA-N",3004398,NA,"PDBC21140","650589","Present",NA,NA
+"21141","3-Phenyl-5-(3-phenyl-1,2-oxazol-5-yl)-1,2-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-5-(3-phenyl-1,2-oxazol-5-yl)-1,2-oxazole",NA,"C1=CC=C(C=C1)C2=NOC(=C2)C3=CC(=NO3)C4=CC=CC=C4","AQFFLALJEYAWJG-UHFFFAOYSA-N",404229,NA,"PDBC21141","720408","Present",NA,NA
+"21142","3-Phenyl-5-methyl-1-thia-3,4,5a,9,10-pentaazacyclopenta[a]fluorene-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-5-phenyl-3-thia-5,7,9,14,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),2(6),7,10(15),11,13-hexaene-4-thione",NA,"CC1=NC2=C(C3=NC4=C(N13)C=CC=N4)SC(=S)N2C5=CC=CC=C5","MSILFMRUQFROEC-UHFFFAOYSA-N",400140,NA,"PDBC21142","711634","Present",NA,NA
+"21143","3-Phenyl-5H-indeno[1,2-c]pyridazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-PF-2307",NA,"C1=CC=C(C=C1)C2=NN=C3C4=CC=CC=C4C(=O)C3=C2","ORLUBUYLVCUFDE-UHFFFAOYSA-N",379337,NA,"PDBC21143","663883","Present",NA,NA
+"21144","3-Phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid",NA,"C1CC2=NN=C(N2C1C(=O)O)C3=CC=CC=C3","FIKPWKRRSVNLKZ-UHFFFAOYSA-N",366804,NA,"PDBC21144","635576","Present",NA,NA
+"21145","3-Phenyl-6-(2,4-dichloro-5-fluorophenyl)-7-(3,4-dimethoxybenzylidene)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(7Z)-6-(2,4-Dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"COC1=C(C=C(C=C1)C=C2C(=NN3C(=NN=C3S2)C4=CC=CC=C4)C5=CC(=C(C=C5Cl)Cl)F)OC","CGRDTHBHJNOUPW-JJFYIABZSA-N",5471718,NA,"PDBC21145","713309","Present",NA,NA
+"21146","3-Phenyl-6-(trifluoromethyl)-2-(3,4,5-trimethoxyphenoxy)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6-(trifluoromethyl)-2-(3,4,5-trimethoxyphenoxy)quinoxaline",NA,"COC1=CC(=CC(=C1OC)OC)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","FGLGRCDXJOUAFW-UHFFFAOYSA-N",384950,NA,"PDBC21146","675774","Present",NA,NA
+"21147","3-Phenyl-6-(trifluoromethyl)-2-quinoxalinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6-(trifluoromethyl)-2-quinoxalinol",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)NC2=O","SSIFLBSQFKMBCX-UHFFFAOYSA-N",383936,NA,"PDBC21147","672892","Present",NA,NA
+"21148","3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxybenzyl)-2-quinoxalinamine",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","NHAJKNRIXZORCC-UHFFFAOYSA-N",369883,NA,"PDBC21148","642077","Present",NA,NA
+"21149","3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","BLLLWQFFAATCQJ-UHFFFAOYSA-N",364818,NA,"PDBC21149","631578","Present",NA,NA
+"21150","3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxybenzyl)-2,8-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxybenzyl)-2,8-quinoxalinediamine",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","YVZHDTCNPFPGSC-UHFFFAOYSA-N",371581,NA,"PDBC21150","645931","Present",NA,NA
+"21151","3-Phenyl-6-(trifluoromethyl)-N~2~-(3,4,5-trimethoxyphenyl)-2,8-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoxaline-3,5-diamine, 7-(trifluoromethyl)- N(3)-(3,4,...",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","CPENCQLCQQLXCD-UHFFFAOYSA-N",367570,NA,"PDBC21151","637404","Present",NA,NA
+"21152","3-Phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6-(trifluoromethyl)quinoxaline-2,8-diamine",NA,"C1=CC=C(C=C1)C2=NC3=CC(=CC(=C3N=C2N)N)C(F)(F)F","OXTLTUQJSNCLKF-UHFFFAOYSA-N",371169,NA,"PDBC21152","645170","Present",NA,NA
+"21153","3-Phenyl-6-[(3,4,5-trimethoxyanilino)methyl]-1,4-benzoxazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6-{[(3,4,5-trimethoxyphenyl)amino]methyl}-2H-1,4-benzoxazin-2-one",NA,"COC1=CC(=CC(=C1OC)OC)NCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4","KCTCDGFLSGVBQO-UHFFFAOYSA-N",379474,NA,"PDBC21153","664028","Present",NA,NA
+"21154","3-Phenyl-6-[(3,4,5-trimethoxyphenoxy)methyl]-1,4-benzoxazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6-[(3,4,5-trimethoxyphenoxy)methyl]-2H-1,4-benzoxazin-2-one",NA,"COC1=CC(=CC(=C1OC)OC)OCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4","KYHWBKGXMRMORI-UHFFFAOYSA-N",380465,NA,"PDBC21154","666061","Present",NA,NA
+"21155","3-Phenyl-6-[[3,4,5-trimethoxy-N-[(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)methyl]anilino]methyl]-1,4-benzoxazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6-[[3,4,5-trimethoxy-N-[(2-oxo-3-phenyl-1,4-benzoxazin-6-yl)methyl]anilino]methyl]-1,4-benzoxazin-2-one",NA,"COC1=CC(=CC(=C1OC)OC)N(CC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4)CC5=CC6=C(C=C5)OC(=O)C(=N6)C7=CC=CC=C7","RRTFMZNZNAAMCT-UHFFFAOYSA-N",379475,NA,"PDBC21155","664029","Present",NA,NA
+"21156","3-Phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-6-pyrrolidin-1-yl-1H-pyrimidine-2,4-dione",NA,"C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=CC=C3","MTNMBZAPUAXJPN-UHFFFAOYSA-N",386640,NA,"PDBC21156","679097","Present",NA,NA
+"21157","3-Phenyl-7-((3,4,5-trimethoxyanilino)methyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-7-((3,4,5-trimethoxyanilino)methyl)-2-quinoxalinamine",NA,"COC1=CC(=CC(=C1OC)OC)NCC2=CC3=C(C=C2)N=C(C(=N3)N)C4=CC=CC=C4","IBGBQRSPXAPFEG-UHFFFAOYSA-N",380873,NA,"PDBC21157","666616","Present",NA,NA
+"21158","3-Phenyl-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-7-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","RYWPHYDCEZFBHY-UHFFFAOYSA-N",364819,NA,"PDBC21158","631579","Present",NA,NA
+"21159","3-Phenyl-7-[(3,4,5-trimethoxyphenoxy)methyl]quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-7-[(3,4,5-trimethoxyphenoxy)methyl]quinoxalin-2-amine",NA,"COC1=CC(=CC(=C1OC)OC)OCC2=CC3=C(C=C2)N=C(C(=N3)N)C4=CC=CC=C4","UHOWMJFKNCWQJJ-UHFFFAOYSA-N",393998,NA,"PDBC21159","697101","Present",NA,NA
+"21160","3-Phenyl-8-(1-pyrrolidinyl)-8H-thieno[2,3-b]pyrrolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-8-(1-pyrrolidinyl)-8H-thieno[2,3-b]pyrrolizine",NA,"C1CCN(C1)C2C3=CC=CN3C4=C2SC=C4C5=CC=CC=C5","OIIGPQKNFGHEGO-UHFFFAOYSA-N",385456,NA,"PDBC21160","676694","Present",NA,NA
+"21161","3-Phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-ynamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-N-[(E)-3-phenylprop-2-enyl]prop-2-ynamide",NA,"C1=CC=C(C=C1)C=CCNC(=O)C#CC2=CC=CC=C2","DLPPTWSFKHLIFX-KPKJPENVSA-N",5357750,NA,"PDBC21161","86448","Present",NA,NA
+"21162","3-Phenyl-N-propan-2-ylbutan-2-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC289468",NA,"CC(C)NC(C)C(C)C1=CC=CC=C1.Cl","ZARWHNZDQUCLGY-UHFFFAOYSA-N",21139349,NA,"PDBC21162","289468","Present",NA,NA
+"21163","3-Phenylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC31995",NA,"C1C2C=CC1C(C2C3=CC=CC=C3)C(=O)O","PWQBPEKAJJSVFH-UHFFFAOYSA-N",233466,NA,"PDBC21163","31995","Present",NA,NA
+"21164","3-Phenylbicyclo[2.2.1]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC31996",NA,"C1CC2CC1C(C2C(=O)O)C3=CC=CC=C3","NNUSVTIAASPYFL-UHFFFAOYSA-N",233467,NA,"PDBC21164","31996","Present",NA,NA
+"21165","3-Phenylimino-5,1-c][1,2,4]thiadiazole-7-carbothioic acid phenylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenylimino-5,6-dihydro-imidazo[2,1-c][1,2,4]thiadiazo...",NA,"C1CN(C2=NSC(=NC3=CC=CC=C3)N21)C(=S)NC4=CC=CC=C4","XJFXHLNGLULCEN-UHFFFAOYSA-N",24204737,NA,"PDBC21165","732633","Present",NA,NA
+"21166","3-Phenyloxatriazol-3-ium-5-amine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,4-Oxatriazolium, 5-amino-3-phenyl-, chloride",NA,"C1=CC=C(C=C1)[N+]2=NOC(=N2)N.[Cl-]","QYSDAYOVDDUVNM-UHFFFAOYSA-M",319742,NA,"PDBC21166","265204","Present",NA,NA
+"21167","3-Phenylpyrrolo[2,1-a]isoquinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[2,1-a]isoquinoline-2-carboxamide, 3-phenyl-",NA,"C1=CC=C(C=C1)C2=C(C=C3N2C=CC4=CC=CC=C43)C(=O)N","UZXDPDNFVGMTNW-UHFFFAOYSA-N",261413,NA,"PDBC21167","93427","Present",NA,NA
+"21168","3-Phenylsulfanyl-2-propan-2-yl-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenylsulfanyl-2-propan-2-yl-2H-furan-5-one",NA,"CC(C)C1C(=CC(=O)O1)SC2=CC=CC=C2","LPVKTKGNGDUVOK-UHFFFAOYSA-N",336045,NA,"PDBC21168","349006","Present",NA,NA
+"21169","3-Phenylsulfanylpropanehydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenylsulfanylpropanehydrazide",NA,"C1=CC=C(C=C1)SCCC(=O)NN","CKHPOCWCCXUBPP-UHFFFAOYSA-N",222880,NA,"PDBC21169","9928","Present",NA,NA
+"21170","3-Phenylsydnon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenylsydnone",NA,"C1=CC=C(C=C1)[N+]2=CC(=O)ON2","KQEVEDHJIGSXDK-UHFFFAOYSA-O",123024,NA,"PDBC21170","13797","Present",NA,NA
+"21171","3-Phenylthieno[2,3-b]pyrrolizin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenylthieno[2,3-b]pyrrolizin-8-one",NA,"C1=CC=C(C=C1)C2=CSC3=C2N4C=CC=C4C3=O","YYQSSUSYLXBUIE-UHFFFAOYSA-N",388523,NA,"PDBC21171","683507","Present",NA,NA
+"21172","3-Phenyltriazolo[4,5-d]pyrimidine-5,7-dithiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyltriazolo[4,5-d]pyrimidine-5,7-dithiol",NA,"C1=CC=C(C=C1)N2C3=C(C(=S)NC(=S)N3)N=N2","OFHZWSGOQOHGKQ-UHFFFAOYSA-N",135409014,NA,"PDBC21172","653245","Present",NA,NA
+"21173","3-Phthalimidylpropylphenyl sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phthalimidylpropylphenyl sulfide",NA,"C1=CC=C(C=C1)SCCCN2C(=O)C3=CC=CC=C3C2=O","BYUIXCDIRNBWLK-UHFFFAOYSA-N",265185,NA,"PDBC21173","101023","Present",NA,NA
+"21174","3-Piperidin-1-ium-1-ylidene-5-piperidin-1-yl-1,2,4-dithiazole;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(Piperidin-1-yl)-3H-1,2,4-dithiazol-3-ylidene]piperidinium bromide",NA,"C1CCN(CC1)C2=NC(=[N+]3CCCCC3)SS2.[Br-]","XNROIBGNMXOMPW-UHFFFAOYSA-M",360534,NA,"PDBC21174","622669","Present",NA,NA
+"21175","3-Piperidino-2-phenylpropiophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Piperidino-2-phenylpropiophenone",NA,"C1CCN(CC1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3","KJPKPBMWHKBKHG-UHFFFAOYSA-N",89341,NA,"PDBC21175","33568","Present",NA,NA
+"21176","3-Propan-2-yl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Propan-2-yl-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine",NA,"CC(C)C1=NC2=CC=CC=C2N=C1NC3=CC(=C(C(=C3)OC)OC)OC","JQZBRZMDXAIYFT-UHFFFAOYSA-N",401462,NA,"PDBC21176","715120","Present",NA,NA
+"21177","3-Propoxycarbonyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Propoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,"CCCOC(=O)C1C2CCC(C1C(=O)O)O2","NTZUGGMOGMTBFK-UHFFFAOYSA-N",246837,NA,"PDBC21177","60379","Present",NA,NA
+"21178","3-Propyl-5-(5-(4-propyl-1H-pyrrol-2-yl)-2-thienyl)-1H-pyrrole-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Propyl-5-(5-(4-propyl-1H-pyrrol-2-yl)-2-thienyl)-1H-pyrrole-2-carbaldehyde",NA,"CCCC1=CNC(=C1)C2=CC=C(S2)C3=CC(=C(N3)C=O)CCC","RYUBHIJMLGAEOC-UHFFFAOYSA-N",374811,NA,"PDBC21178","653148","Present",NA,NA
+"21179","3-Propyl-6-[(4E,7E,10E,12E,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Propyl-6-[(4E,7E,10E,12E,18E)-3,15,17-trihydroxy-4,8,10,12,16,18-hexamethylicosa-4,7,10,12,18-pentaen-2-yl]pyran-2-one",NA,"CCCC1=CC=C(OC1=O)C(C)C(C(=CCC=C(C)CC(=CC(=CCC(C(C)C(C(=CC)C)O)O)C)C)C)O","OTNYCNDIGKWKTO-RCXJYNBZSA-N",5468405,NA,"PDBC21179","669697","Present",NA,NA
+"21180","3-Pyridin-2-yl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Pyridyl)-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=CC=N3","PXUFQPJYQRCMEG-UHFFFAOYSA-N",396393,NA,"PDBC21180","702346","Present",NA,NA
+"21181","3-Pyridin-3-ylquinoline-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Pyridin-3-yl)quinoline-4-carbohydrazide",NA,"C1=CC=C2C(=C1)C(=C(C=N2)C3=CN=CC=C3)C(=O)NN","QSZGYZIPEFXMQA-UHFFFAOYSA-N",377698,NA,"PDBC21181","659289","Present",NA,NA
+"21182","3-Pyridineacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"toneon",NA,"C1=CC(=CN=C1)CC(=O)O","WGNUNYPERJMVRM-UHFFFAOYSA-N",108,NA,"PDBC21182","70769","Present",NA,NA
+"21183","3-Pyridinecarbaldehyde 2-pyridyl hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18368",NA,"C1=CC=NC(=C1)NN=CC2=CN=CC=C2","ZMTRKIYGCKYPTF-ZROIWOOFSA-N",5458408,NA,"PDBC21183","18368","Present",NA,NA
+"21184","3-Pyridinecarbonitrile, 1,2-dihydro-1-pentopyranosyl-4,6-diphenyl-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Diphenyl-2-thioxo-1-(3,4,5-trihydroxytetrahydropyran-2-yl)pyridine-3-carbonitrile",NA,"C1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=CC=C3)C4=CC=CC=C4)O)O)O","SVLDXWDIWOKSIW-UHFFFAOYSA-N",383448,NA,"PDBC21184","671816","Present",NA,NA
+"21185","3-Pyridinecarbonitrile, 1-hexopyranosyl-1,2-dihydro-4,6-dimethyl-5-[(E)-(4-methylphenyl)azo]-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-5-[(4-methylphenyl)diazenyl]-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=CC=C(C=C1)N=NC2=C(N(C(=S)C(=C2C)C#N)C3C(C(C(C(O3)CO)O)O)O)C","JYJLAZOWRAUFBK-UHFFFAOYSA-N",381295,NA,"PDBC21185","667732","Present",NA,NA
+"21186","3-Pyridinecarbonitrile, 1-hexopyranosyl-1,2-dihydro-4,6-dimethyl-5-[(E)-phenylazo]-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C)C3C(C(C(C(O3)CO)O)O)O)C#N","UPWGPMLIPLXQSD-UHFFFAOYSA-N",381294,NA,"PDBC21186","667731","Present",NA,NA
+"21187","3-Pyridinecarbonitrile, 1-hexopyranosyl-1,2-dihydro-4,6-diphenyl-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671814///NSC671815",NA,"C1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CC=C4","JOCROWQIHNGUKC-UHFFFAOYSA-N",383447,NA,"PDBC21187","671814///671815","Present",NA,NA
+"21188","3-Pyridinecarbonitrile, 2-ethoxy-4-[4-(4-morpholinyl)phenyl]-6-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyridinecarbonitrile, 2-ethoxy-4-[4-(4-morpholinyl)phenyl]-6-phenyl-",NA,"CCOC1=C(C(=CC(=N1)C2=CC=CC=C2)C3=CC=C(C=C3)N4CCOCC4)C#N","YLWSMTNZPPKTIW-UHFFFAOYSA-N",385444,NA,"PDBC21188","676679","Present",NA,NA
+"21189","3-Pyridinecarbonitrile, 4-(2-furanyl)-1-hexopyranosyl-1,2-dihydro-6-(4-methylphenyl)-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671817///NSC671818",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CO4","YYPNGFTVCGQJQI-UHFFFAOYSA-N",383449,NA,"PDBC21189","671817///671818","Present",NA,NA
+"21190","3-Pyridinecarbonitrile, 4-(4-chlorophenyl)-1-hexopyranosyl-1,2-dihydro-6-methyl-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-6-methyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=CC(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=C(C=C3)Cl","QPMPADMFJMVFQR-UHFFFAOYSA-N",381194,NA,"PDBC21190","667525","Present",NA,NA
+"21191","3-Pyridinecarbonitrile, 5-acetyl-1-hexopyranosyl-1,2-dihydro-4-(1-naphthalenyl)-6-phenyl-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667547///NSC667554",NA,"CC(=O)C1=C(N(C(=S)C(=C1C2=CC=CC3=CC=CC=C32)C#N)C4C(C(C(C(O4)CO)O)O)O)C5=CC=CC=C5","IOXMZMWJCFYGHZ-UHFFFAOYSA-N",381213,NA,"PDBC21191","667547///667554","Present",NA,NA
+"21192","3-Pyridinecarbonitrile, 5-acetyl-1-hexopyranosyl-1,2-dihydro-4-(4-methoxyphenyl)-6-methyl-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=C(C=C3)OC)C(=O)C","GUBLPSNAEUWRCM-UHFFFAOYSA-N",381222,NA,"PDBC21192","667559","Present",NA,NA
+"21193","3-Pyridinecarbonitrile, 5-acetyl-4-(2-furanyl)-1-hexopyranosyl-1,2-dihydro-6-methyl-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-(furan-2-yl)-6-methyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=CO3)C(=O)C","NMHXNOKAKZGUQM-UHFFFAOYSA-N",381216,NA,"PDBC21193","667551","Present",NA,NA
+"21194","3-Pyridinecarbonitrile, 5-acetyl-4-(4-chlorophenyl)-1-hexopyranosyl-1,2-dihydro-6-methyl-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-(4-chlorophenyl)-6-methyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=C(C=C3)Cl)C(=O)C","YCRUDLAZLLCJBC-UHFFFAOYSA-N",381214,NA,"PDBC21194","667548","Present",NA,NA
+"21195","3-Pyridinecarbonitrile, 5-ethyl-1-hexopyranosyl-1,2-dihydro-4,6-dimethyl-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-ethyl-4,6-dimethyl-2-thioxo-1-(3,4,5-trihydroxy-6-(hyd...",NA,"CCC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)CO)O)O)O)C","LWMRDYATFIGRPF-UHFFFAOYSA-N",381209,NA,"PDBC21195","667543","Present",NA,NA
+"21196","3-Pyridinecarbonitrile,1,2-dihydro-4-(methoxymethyl)-2-oxo-6-propyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Methoxymethyl)-2-oxo-6-propyl-1H-pyridine-3-carbonitrile",NA,"CCCC1=CC(=C(C(=O)N1)C#N)COC","LDWHLYYIBAQNPG-UHFFFAOYSA-N",229815,NA,"PDBC21196","23807","Present",NA,NA
+"21197","3-Pyridinecarboxamide, N-[3-(phenylsulfonyl)-2-thienyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyridinecarboxamide, N-[3-(phenylsulfonyl)-2-thienyl]-",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C3=CN=CC=C3","DDRYQSIZMLQTKY-UHFFFAOYSA-N",393673,NA,"PDBC21197","696049","Present",NA,NA
+"21198","3-Pyridinecarboxamide, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyridinecarboxamide, 6-(hydroxyazo)-, sodium salt",NA,"C1=CC(=NC=C1C(=O)N)NN=O.[Na+]","MZEBKTIGHIILQX-UHFFFAOYSA-N",20835846,NA,"PDBC21198","600292","Present",NA,NA
+"21199","3-Pyridinecarboxylic acid, 4-[2-cyano-2-(ethoxycarbonyl)-1-(2-phenyhydrazino)ethenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyridinecarboxylic acid, 4-[2-cyano-2-(ethoxycarbonyl)...",NA,"CCOC(=O)C(=C(C1=C(C=NC=C1)C(=O)O)NNC2=CC=CC=C2)C#N","KCHUIWDHSQEOFG-JQIJEIRASA-N",5469314,NA,"PDBC21199","685685","Present",NA,NA
+"21200","3-Pyridinol, 2-(piperidinomethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Piperidinomethyl)-3-pyridinol",NA,"C1CCN(CC1)CC2=C(C=CC=N2)O","BMRGAJCUJCTATP-UHFFFAOYSA-N",96480,NA,"PDBC21200","75877","Present",NA,NA
+"21201","3-Pyridinylphosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyridinylphosphinic acid",NA,"C1=CC(=CN=C1)[P+](=O)O","NYAZPRKARRLPOP-UHFFFAOYSA-O",6328769,NA,"PDBC21201","632920","Present",NA,NA
+"21202","3-Pyroglutamylthiazolidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pidotimod",NA,"C1CC(=O)NC1C(=O)N2CSCC2C(=O)O","UUTKICFRNVKFRG-UHFFFAOYSA-N",114751,NA,"PDBC21202","678119","Present",NA,NA
+"21203","3-Pyrrolin-2-one, 4-hydroxy-5-(p-hydroxybenzyl)-3-(N-phenylacetimidoyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyrrolin-2-one, 4-hydroxy-5-(p-hydroxybenzyl)-3-(N-phe...",NA,"CC(=NC1=CC=CC=C1)C2=C(C(NC2=O)CC3=CC=C(C=C3)O)O","CDSZPMMTWNONAM-UHFFFAOYSA-N",135500557,NA,"PDBC21203","100434","Present",NA,NA
+"21204","3-Pyrrolizino-5-(p-anisyl)-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyrrolizino-5-(p-anisyl)-1,2,4-oxadiazole",NA,"COC1=CC=C(C=C1)C2=NC(=NO2)N3CCCC3","BSVZHUXWBDKTRR-UHFFFAOYSA-N",389744,NA,"PDBC21204","686340","Present",NA,NA
+"21205","3-Quinolinamine, N-(2-quinolinylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-quinolyl)-N-(3-quinolyl)methanimine",NA,"C1=CC=C2C(=C1)C=CC(=N2)C=NC3=CC4=CC=CC=C4N=C3","FOOVLXYORBIGKA-UHFFFAOYSA-N",265479,NA,"PDBC21205","101548","Present",NA,NA
+"21206","3-Quinolinecarbonitrile, 1-hexopyranosyl-1,2,5,6,7,8-hexahydro-4-(4-methoxyphenyl)-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=C(C(=S)N(C3=C2CCCC3)C4C(C(C(C(O4)CO)O)O)O)C#N","UNYDCIUYILQIRL-UHFFFAOYSA-N",381200,NA,"PDBC21206","667531","Present",NA,NA
+"21207","3-Quinolinecarboxylic acid, 7-[4-[1-(ethoxycarbonyl)-1-[(ethoxycarbonyl)amino]-2,2,2-trifluoroethyl]-1-piperazinyl]-1-ethyl-6-fluoro-1,4-dihydro-4-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[4-[3-Ethoxy-2-(ethoxycarbonylamino)-1,1,1-trifluoro-3-oxopropan-2-yl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid",NA,"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C(=O)OCC)(C(F)(F)F)NC(=O)OCC)F)C(=O)O","WXDALWZZLSGIPW-UHFFFAOYSA-N",384776,NA,"PDBC21207","675212","Present",NA,NA
+"21208","3-Quinuclidinemalononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-143114",NA,"C1CN2CCC1C(C2)C(C#N)C#N","BUKCFODSLIUASM-UHFFFAOYSA-N",379661,NA,"PDBC21208","664540","Present",NA,NA
+"21209","3-Quinuclidyl cyclopentyl(3-methyl-1-cis-butenyl)glycolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665758",NA,"CC(C)C=CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O","PZSSHNWVJGSMGY-YFHOEESVSA-N",5468176,NA,"PDBC21209","665758","Present",NA,NA
+"21210","3-Quinuclidyl diphenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-49673",NA,"C1CN2CCC1C(C2)OC(=O)N(C3=CC=CC=C3)C4=CC=CC=C4","IJIHPPHWXPHTRG-UHFFFAOYSA-N",28676,NA,"PDBC21210","665783","Present",NA,NA
+"21211","3-Quinuclidyl p-toluenesulfonate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t66 a b cntj aoswr d1 &gh",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2CN3CCC2CC3.Cl","DUXKLZUKUZWKTF-UHFFFAOYSA-N",3056889,NA,"PDBC21211","100762","Present",NA,NA
+"21212","3-Tert-Butoxycarbonylamino-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate",NA,"CC(C)(C)OC(=O)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C","HZXWVCLHZLFBCA-UHFFFAOYSA-N",382320,NA,"PDBC21212","669778","Present",NA,NA
+"21213","3-Tert-Butyl 4-methyl 2-methyl-1,3-oxazinane-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Tert-Butyl 4-methyl 2-methyl-1,3-oxazinane-3,4-dicarboxylate",NA,"CC1N(C(CCO1)C(=O)OC)C(=O)OC(C)(C)C","RHVKEFQZQAYOHD-UHFFFAOYSA-N",381854,NA,"PDBC21213","669021","Present",NA,NA
+"21214","3-Tert-Butyl-1-hydroxy-7-isoquinolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Tert-Butyl-1-hydroxy-7-isoquinolinecarboxamide",NA,"CC(C)(C)C1=CC2=C(C=C(C=C2)C(=O)N)C(=O)N1","LDAKUQQADVRFCZ-UHFFFAOYSA-N",365997,NA,"PDBC21214","634164","Present",NA,NA
+"21215","3-Tert-Butyl-2-ethyl-5,5-dimethyl-1,3,2-oxazaphospholidine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Tert-Butyl-2-ethyl-5,5-dimethyl-1,3,2-oxazaphospholidine 2-oxide",NA,"CCP1(=O)N(CC(O1)(C)C)C(C)(C)C","GVVQGNPJJPDIEH-UHFFFAOYSA-N",395348,NA,"PDBC21215","699830","Present",NA,NA
+"21216","3-Tert-Butyl-3-(2-hydroxyethyl)-1-methyl-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Tert-Butyl-3-(2-hydroxyethyl)-1-methyl-1,3-dihydro-2H-indol-2-one",NA,"CC(C)(C)C1(C2=CC=CC=C2N(C1=O)C)CCO","IBMGYCUDJIBLPX-UHFFFAOYSA-N",393195,NA,"PDBC21216","694683","Present",NA,NA
+"21217","3-Tert-Butyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Tert-Butyl-6,7-diphenyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione",NA,"CC(C)(C)N1C(=O)N2C(=C(N2C1=O)C3=CC=CC=C3)C4=CC=CC=C4","VKDMQCYSUSEUBN-UHFFFAOYSA-N",391908,NA,"PDBC21217","691589","Present",NA,NA
+"21218","3-Tert-Butyl-6-((4-(methylthio)anilino)carbonyl)-2,3,4,4a,5,6,7,11c-octahydro-1H-benzo[c]carbazole-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Tert-butyl-6-[(4-methylsulfanylphenyl)carbamoyl]-2,3,4,4a,5,6,7,11c-octahydro-1H-benzo[c]carbazole-5-carboxylic acid",NA,"CC(C)(C)C1CCC2C(C1)C(C(C3=C2C4=CC=CC=C4N3)C(=O)NC5=CC=C(C=C5)SC)C(=O)O","RIKOBXKMTCKFDP-UHFFFAOYSA-N",374514,NA,"PDBC21218","652265","Present",NA,NA
+"21219","3-Tert-butyl-2-methylbenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Tert-butyl-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=NC2=C(N1C(C)(C)C)C(=O)C3=CC=CC=C3C2=O","DXTMRWJYHMXGEX-UHFFFAOYSA-N",374254,NA,"PDBC21219","651755","Present",NA,NA
+"21220","3-Tert-butylindeno[1,2-c]pyrazol-4(3ah)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"REGID_for_CID_223899",NA,"CC(C)(C)C1=NN=C2C1C(=O)C3=CC=CC=C32","RAFCLOURPITYQX-UHFFFAOYSA-N",223899,NA,"PDBC21220","11991","Present",NA,NA
+"21221","3-Tetradecenoyl-S-coenzyme A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Tetradecenoyl-S-coenzyme A",NA,"CCCCCCCCCCC=CCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O","SSOCUKXLUZQJHU-FKAAEKQCSA-N",5386964,NA,"PDBC21221","618938","Present",NA,NA
+"21222","3-Tetradecyl-3H-isobenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Tetradecyl-3H-isobenzofuran-1-one",NA,"CCCCCCCCCCCCCCC1C2=CC=CC=C2C(=O)O1","GYPWGKRSJWXUSK-UHFFFAOYSA-N",362906,NA,"PDBC21222","627381","Present",NA,NA
+"21223","3-Thianaphthenoyltrifluoroacetone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Butanedione, 1-benzo[b]thien-3-yl-4,4,4-trifluoro-",NA,"C1=CC=C2C(=C1)C(=CS2)C(=O)CC(=O)C(F)(F)F","NFWFGKBSGANQQK-UHFFFAOYSA-N",96570,NA,"PDBC21223","80396","Present",NA,NA
+"21224","3-Thienylphosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Thienylphosphinic acid",NA,"C1=CSC=C1[P+](=O)O","WKXULUMCMGAEOK-UHFFFAOYSA-O",6328771,NA,"PDBC21224","632922","Present",NA,NA
+"21225","3-Thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Thiophen-2-yl-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid",NA,"C1=CSC(=C1)CC(C(=O)O)NC(=O)C(F)(F)F","FYMPAKRCUUFCCE-UHFFFAOYSA-N",328215,NA,"PDBC21225","306124","Present",NA,NA
+"21226","3-Thiophen-2-yl-4,5-dihydro-2H-benzo[g]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Thiophen-2-yl-4,5-dihydro-2H-benzo[g]indazole",NA,"C1CC2=C(NN=C2C3=CC=CC=C31)C4=CC=CS4","WNMWTQISTURZQG-UHFFFAOYSA-N",340251,NA,"PDBC21226","370463","Present",NA,NA
+"21227","3-Thioureidomethylene-4-oxo-coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Thioureidomethylene-4-oxo-coumarin",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC(=S)N)O","PMVYLWXDLFXGRP-WLRTZDKTSA-N",135409042,NA,"PDBC21227","655967","Present",NA,NA
+"21228","3-Thioxo-1,2-dihydro-[1,2,4]triazolo[3,4-b]quinazolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Thioxo-1,2-dihydro-[1,2,4]triazolo[3,4-b]quinazolin-5-one",NA,"C1=CC=C2C(=C1)C(=O)N3C(=N2)NNC3=S","INHHOOZWMOSMGF-UHFFFAOYSA-N",3005326,NA,"PDBC21228","691080","Present",NA,NA
+"21229","3-Thioxospiro[1,2,4-triazinane-6,9'-fluorene]-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Sulfanylidenespiro[1,2,4-triazinane-6,9'-fluorene]-5-one",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=S)NN4","LUCFCNTWCKWTEW-UHFFFAOYSA-N",3001579,NA,"PDBC21229","658715","Present",NA,NA
+"21230","3-Veratroylveracevine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"veratrine",NA,"CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)OC(=O)C8=CC(=C(C=C8)OC)OC)O)C)O)O)O)(C)O","FVECELJHCSPHKY-WTFKENEKSA-N",11614496,NA,"PDBC21230","7524","Present",NA,NA
+"21231","3-[(1-Adamantylamino)methyl]-1-ethoxycarbonyl-4-piperidone hydrochloride (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(1-Adamantylamino)methyl]-1-ethoxycarbonyl- 4-piperid...",NA,"CCOC(=O)N1CCC(=O)C(C1)CNC23CC4CC(C2)CC(C4)C3.Cl","NBBNSLJCKZDCCQ-UHFFFAOYSA-N",365301,NA,"PDBC21231","632852","Present",NA,NA
+"21232","3-[(1-Adamantylamino)methyl]-4-hydroxy-1-methylpiperidine dihydrochloride hydrate [5:10:2]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(1-Adamantylamino)methyl]-4-hydroxy-1-methylpiperidin...",NA,"CN1CCC(C(C1)CNC23CC4CC(C2)CC(C4)C3)O.Cl","XQQXGQQJTBFLFY-UHFFFAOYSA-N",365303,NA,"PDBC21232","632853","Present",NA,NA
+"21233","3-[(1-Benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino]-N-[(furan-2-yl)methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3-pyrro...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NCC4=CC=CO4","DIAHQDVVAKSKLZ-UHFFFAOYSA-N",16252025,NA,"PDBC21233","732848","Present",NA,NA
+"21234","3-[(1-Methoxyphen-4-ylmethyl)amino]-2-phenyl-2H-pyrido[4,2,4-thiadiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(1-Methoxyphen-4-ylmethyl)amino]-2-phenyl-2H-pyrido[4...",NA,"COC1=CC=C(C=C1)CN=C2NC3=C(C=NC=C3)S(=O)(=O)N2C4=CC=CC=C4","ZHJJILKMQWVXSV-UHFFFAOYSA-N",135426716,NA,"PDBC21234","710898","Present",NA,NA
+"21235","3-[(1-Methylpiperazine)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(1-Methylpiperazine)-1-propyl]-5,6-dihydro-2,3-dimeth...",NA,"CN1CCN(CC1)CCCN2C3=C(C4=CC(=C(C=C4C2=O)OC)OC)C(=O)C5=CC6=C(C=C53)OCO6","NRKUWWSKJLFGMB-UHFFFAOYSA-N",16090538,NA,"PDBC21235","725777","Present",NA,NA
+"21236","3-[(1H-Indol-3-ylethyl)amino]-2-(3-isopropoxyphenyl)-2H-pyrido[4,2,4,-thiadiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(1H-Indol-3-ylethyl)amino]-2-(3-isopropoxyphenyl)-2H-...",NA,"CC(C)OC1=CC=CC(=C1)N2C(=NCCC3=CNC4=CC=CC=C43)NC5=C(S2(=O)=O)C=NC=C5","KCSXOVGRDAPTKF-UHFFFAOYSA-N",135426715,NA,"PDBC21236","710895","Present",NA,NA
+"21237","3-[(1H-Indol-3-ylmethyl)amino]-2-(3-isopropoxyphenyl)-2H-pyrido[4,2,4-thiadiazine 1,1 dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(1H-Indol-3-ylmethyl)amino]-2-(3-isopropoxyphenyl)-2H...",NA,"CC(C)OC1=CC=CC(=C1)N2C(=NCC3=CNC4=CC=CC=C43)NC5=C(S2(=O)=O)C=NC=C5","SMEHYXQQYDQDNA-UHFFFAOYSA-N",135423956,NA,"PDBC21237","710894","Present",NA,NA
+"21238","3-[(1R)-1-Methoxycarbonyl-2-oxocyclohexyl]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646224",NA,"CC(CC(=O)O)C1(CCCCC1=O)C(=O)OC","VKMZPOWJLJXZIQ-LESKNEHBSA-N",371780,NA,"PDBC21238","646224","Present",NA,NA
+"21239","3-[(2,3-Dimethoxyphenyl)methyl]-7,8-dimethoxy-5-methylsulfanyl-2,5-dihydro-1H-3-benzazepin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-3-Benzazepin-2-one, 2,3,4,5-tetrahydro-7,8-dimethoxy-...",NA,"COC1=CC=CC(=C1OC)CN2CCC3=CC(=C(C=C3C(C2=O)SC)OC)OC","CVALYQRNZBJMFA-UHFFFAOYSA-N",359177,NA,"PDBC21239","619859","Present",NA,NA
+"21240","3-[(2,4-Dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2,4-Dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione",NA,"COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=NNC3=S)COC4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-]","ZALPMVZTIHWIJY-YSURURNPSA-N",9572709,NA,"PDBC21240","724647","Present",NA,NA
+"21241","3-[(2,4-Dichlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2,4-Dichlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)COC5=C(C=C(C=C5)Cl)Cl)F","WAZFXOZTSDPDPA-UHFFFAOYSA-N",11237125,NA,"PDBC21241","726273","Present",NA,NA
+"21242","3-[(2,4-Dichlorophenoxy)methyl]-6-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2,4-Dichlorophenoxy)methyl]-6-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC(=C(C=C1Cl)Cl)C2=CC=C(O2)C3=NN4C(=NN=C4S3)COC5=C(C=C(C=C5)Cl)Cl","KMKGLXLDYAZXLJ-UHFFFAOYSA-N",402006,NA,"PDBC21242","715695","Present",NA,NA
+"21243","3-[(2,4-Dimethoxy-5-pyrimidinyl)methylene]isobenzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2,4-Dimethoxy-5-pyrimidinyl)methylene]isobenzofuran-1(3H)-one",NA,"COC1=NC(=NC=C1C=C2C3=CC=CC=C3C(=O)O2)OC","CMNMPKRDOUHXQU-GHXNOFRVSA-N",5468846,NA,"PDBC21243","677621","Present",NA,NA
+"21244","3-[(2,4-Dinitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2,4-Dinitrophenyl)diazenyl]-5-nitro-1H-indol-2-ol",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","LEVXBDLHIVOIAE-UHFFFAOYSA-N",3089375,NA,"PDBC21244","649166","Present",NA,NA
+"21245","3-[(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin)-1-yl]-4-aminothiophene-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-amino-3-(2,4-dioxopyrimidin-1-yl)thiophene-2-carboxylate",NA,"COC(=O)C1=C(C(=CS1)N)N2C=CC(=O)NC2=O","ORLMCBUZCFZPFB-UHFFFAOYSA-N",398480,NA,"PDBC21245","708384","Present",NA,NA
+"21246","3-[(2-Amino-4,5-dimethyl-3-furyl)sulfonyl]quinolin-2-amine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Amino-4,5-dimethyl-3-furyl)sulfonyl]quinolin-2-amine 1-oxide",NA,"CC1=C(OC(=C1S(=O)(=O)C2=CC3=CC=CC=C3N(C2=N)O)N)C","HBJFCQIOKAHSEC-UHFFFAOYSA-N",496556,NA,"PDBC21246","693806","Present",NA,NA
+"21247","3-[(2-Amino-6-chloropyrimidin-4-yl)amino]propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Amino-6-chloropyrimidin-4-yl)amino]propane-1,2-diol",NA,"C1=C(N=C(N=C1Cl)N)NCC(CO)O","XMBOEUCNEMCXFA-UHFFFAOYSA-N",358990,NA,"PDBC21247","619197","Present",NA,NA
+"21248","3-[(2-Bromoacetyl)amino]-N-carbamoylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromoacetamido-benzoylurea",NA,"C1=CC(=CC(=C1)NC(=O)CBr)C(=O)NC(=O)N","ROTXPDBINYTRPW-UHFFFAOYSA-N",398525,NA,"PDBC21248","708440","Present",NA,NA
+"21249","3-[(2-Chloro-5-methoxy-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Chloro-5-methoxy-1H-indole-3-yl)methylene]-1H-indole-2(3H)-one",NA,"COC1=CC2=C(C=C1)NC(=C2C=C3C4=CC=CC=C4NC3=O)Cl","IZVZNKBMIOPVGE-NTEUORMPSA-N",10448955,NA,"PDBC21249","726894","Present",NA,NA
+"21250","3-[(2-Chloro-7-methylpurin-6-yl)amino]-2,3-dimethylbutan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Chloro-7-methylpurin-6-yl)amino]-2,3-dimethylbutan-2-ol",NA,"CC(C)(C(C)(C)O)NC1=NC(=NC2=C1N(C=N2)C)Cl","SWGPTHDBJMFMLI-UHFFFAOYSA-N",358314,NA,"PDBC21250","618275","Present",NA,NA
+"21251","3-[(2-Chloro-phenylamino)-methyl]-5-(2-hydroxy-phenyl)-3H-[1,4]oxadi azole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-...",NA,"C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=CC=C3Cl)O","IYXZOBVMRICUEY-UHFFFAOYSA-N",135585517,NA,"PDBC21251","731988","Present",NA,NA
+"21252","3-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione",NA,"COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=NNC3=S)COC4=CC=CC=C4Cl)[N+](=O)[O-]","RZFKUUJLNXTPAM-FOKLQQMPSA-N",9572708,NA,"PDBC21252","724646","Present",NA,NA
+"21253","3-[(2-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)COC5=CC=CC=C5Cl)F","HEEILTJYIAKYCJ-UHFFFAOYSA-N",11396827,NA,"PDBC21253","726269","Present",NA,NA
+"21254","3-[(2-Chlorophenyl)carbamoylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Chlorophenyl)carbamoylsulfanyl]propanoic acid",NA,"C1=CC=C(C(=C1)NC(=O)SCCC(=O)O)Cl","LGLVHUBEDAVRSX-UHFFFAOYSA-N",359050,NA,"PDBC21254","619427","Present",NA,NA
+"21255","3-[(2-Chlorophenyl)methoxy]-5-nitro-1H-indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Chlorophenyl)methoxy]-5-nitro-1H-indazole",NA,"C1=CC=C(C(=C1)COC2=NNC3=C2C=C(C=C3)[N+](=O)[O-])Cl","XCLCSCQDRUGXPR-UHFFFAOYSA-N",438826,NA,"PDBC21255","675829","Present",NA,NA
+"21256","3-[(2-Chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Chlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine",NA,"C1C2=C(C3=C(C=CC=N3)C=C2)OCN1CC4=CC=CC=C4Cl","YSDAVBBZXPACDW-UHFFFAOYSA-N",326321,NA,"PDBC21256","297361","Present",NA,NA
+"21257","3-[(2-Fluorophenyl)carbamoylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Fluorophenylthiocarbamoyl)]-propanoic acid",NA,"C1=CC=C(C(=C1)NC(=O)SCCC(=O)O)F","BTHRFHDDQPRMPO-UHFFFAOYSA-N",363899,NA,"PDBC21257","629287","Present",NA,NA
+"21258","3-[(2-Hydroxy-1-naphthalenyl)azo]-1,5-naphthalenedisulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Hydroxy-1-naphthalenyl)azo]-1,5-naphthalenedisulfonic acid",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O)O","FNSFKCGGKCRLFJ-UHFFFAOYSA-N",106330,NA,"PDBC21258","45581","Present",NA,NA
+"21259","3-[(2-Hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Hydroxy-1H-indol-3-yl)diazenyl]-6-methyl-4H-1,2,4-triazin-5-one",NA,"CC1=NN=C(NC1=O)N=NC2=C(NC3=CC=CC=C32)O","MUCRZFLTXZPHRS-UHFFFAOYSA-N",135455472,NA,"PDBC21259","607581","Present",NA,NA
+"21260","3-[(2-Hydroxyethyl)thio]-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-HYDROXYETHYL)THIO]-1-PROPANOL",NA,"C(CO)CSCCO","YJGRQEWXDDCCCV-UHFFFAOYSA-N",220278,NA,"PDBC21260","2787","Present",NA,NA
+"21261","3-[(2-Hydroxynaphthalen-1-yl)methyl]-7-[3-[(2-hydroxynaphthalen-1-yl)methyl]-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Hydroxynaphthalen-1-yl)methyl]-7-[3-[(2-hydroxynaphthalen-1-yl)methyl]-4-oxo-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,"C1=CC=C2C(=C1)C=CC(=C2CC3=NN=C4N(C3=O)N=C(S4)C5=NN6C(=O)C(=NN=C6S5)CC7=C(C=CC8=CC=CC=C87)O)O","SYRROAOYPFPSNC-UHFFFAOYSA-N",399655,NA,"PDBC21261","710573","Present",NA,NA
+"21262","3-[(2-Methyl-1,4-dioxo-1,4-dihydronaphthalene-3-yl)thio]propanoic acid 2-[[3-(phenyltelluro)propyl]amino]-2-oxoethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-2-(3-phenyltellanyl)propylamino)ethyl 3-(3-methyl-...",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)OCC(=O)NCCC[Te]C3=CC=CC=C3","SUQXITVMRWOPMJ-UHFFFAOYSA-N",44226543,NA,"PDBC21262","750912","Present",NA,NA
+"21263","3-[(2-Naphthylsulfonyl)amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_004847",NA,"C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCC(=O)O","ZARBMGXIZPSUAL-UHFFFAOYSA-N",362740,NA,"PDBC21263","626995","Present",NA,NA
+"21264","3-[(2-Nitrophenyl)diazenyl]-1-benzothiophen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Nitrophenyl)diazenyl]-1-benzothiophen-2-ol",NA,"C1=CC=C2C(=C1)C(=C(S2)O)N=NC3=CC=CC=C3[N+](=O)[O-]","UZHMOWFAEQLCLL-UHFFFAOYSA-N",343248,NA,"PDBC21264","382584","Present",NA,NA
+"21265","3-[(2-Oxo-1,2-diphenylethyl)amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2-Oxo-1,2-diphenylethyl)amino]benzoic acid",NA,"C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)NC3=CC=CC(=C3)C(=O)O","GHTGNYOWLDGOGS-UHFFFAOYSA-N",220828,NA,"PDBC21265","4232","Present",NA,NA
+"21266","3-[(2E)-2-(2-Hydroxybenzylidene)hydrazinyl]-1,2,4-triazin-5(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2-(2-hydroxybenzylidene)hydrazinyl)-1,2,4-triazin...",NA,"C1=CC=C(C(=C1)C=NNC2=NN=CC(=O)N2)O","JLNGJBLIIKJAGO-VZUCSPMQSA-N",135409374,NA,"PDBC21266","765608","Present",NA,NA
+"21267","3-[(2E)-2-(2-Hydroxyphenyl)-2-(phenylhydrazinylidene)ethyl]-3H-1-benzofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2E)-2-(2-Hydroxyphenyl)-2-(phenylhydrazinylidene)ethyl]-3H-1-benzofuran-2-one",NA,"C1=CC=C(C=C1)NN=C(CC2C3=CC=CC=C3OC2=O)C4=CC=CC=C4O","WUJJORNPCJIZED-LYBHJNIJSA-N",135488946,NA,"PDBC21267","647613","Present",NA,NA
+"21268","3-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]benzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]benzo[c]chromen-6-one",NA,"C1=CC=C2C(=C1)C3=C(C=C(C=C3)OCC(=NO)C4=CC=C(C=C4)F)OC2=O","PDDIRAQBLBEOFN-NMWGTECJSA-N",24204880,NA,"PDBC21268","733310","Present",NA,NA
+"21269","3-[(2E)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2E)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one",NA,"CON=C(COC1=C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3)C4=CC=C(C=C4)F","TYEWAGBBULCXAV-QOMWVZHYSA-N",24205362,NA,"PDBC21269","735313","Present",NA,NA
+"21270","3-[(2E)-2-(Dimethylhydrazono)ethyl]-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2E)-2-(Dimethylhydrazono)ethyl]-1,1,1-trifluoro-2-(trifluoromethyl)octan-2-ol",NA,"CCCCCC(CC=NN(C)C)C(C(F)(F)F)(C(F)(F)F)O","DUQTZXKXIYNAQS-AWQFTUOYSA-N",9571445,NA,"PDBC21270","664336","Present",NA,NA
+"21271","3-[(2E)-2-Hydroxyimino-2-(3-methoxyphenyl)ethoxy]benzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2E)-2-Hydroxyimino-2-(3-methoxyphenyl)ethoxy]benzo[c]chromen-6-one",NA,"COC1=CC=CC(=C1)C(=NO)COC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3","OESDQQWMHUYJOB-ATJXCDBQSA-N",24204878,NA,"PDBC21271","733308","Present",NA,NA
+"21272","3-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,"COC1=CC=C(C=C1)C(=NO)COC2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4","LCPAZPQJGMQMSF-QQTULTPQSA-N",24203678,NA,"PDBC21272","729143","Present",NA,NA
+"21273","3-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)OCC(=NO)C4=CC=CC=C4","KPEWBHRDJZLSNX-CLCOLTQESA-N",24203676,NA,"PDBC21273","729141","Present",NA,NA
+"21274","3-[(2E)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2E)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,"COC1=CC=C(C=C1)C(=NOC)COC2=C(OC3=CC=CC=C3C2=O)C4=CC=CC=C4","FKLDEUPQDDYBPY-QLYXXIJNSA-N",24205361,NA,"PDBC21274","735312","Present",NA,NA
+"21275","3-[(2E)-3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2E)-3-(2H-1,3-Benzodioxol-5-yl)prop-2-enoyl]-2-hydroxycyclohepta-2,4,6-trien-1-one",NA,"C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=C(C(=O)C=CC=C3)O","JEZLGHUPGPOHDO-FNORWQNLSA-N",5889984,NA,"PDBC21275","356903","Present",NA,NA
+"21276","3-[(2S,3Ar,9aS,9bS)-3a-(hydroxymethyl)-6,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2-hydroxy-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2S,3Ar,9aS,9bS)-3a-(hydroxymethyl)-6,6,9a-trimethyl-2,4,5,5a,7,8,9,9b-octahydro-1H-benzo[e][1]benzofuran-2-yl]-2-hydroxy-2H-furan-5-one",NA,"CC1(CCCC2(C1CCC3(C2CC(O3)C4=CC(=O)OC4O)CO)C)C","KRFXWKURJSADKH-RTVRYBNZSA-N",11970052,NA,"PDBC21276","658002","Present",NA,NA
+"21277","3-[(2Z)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-8-methoxybenzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2Z)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-8-methoxybenzo[c]chromen-6-one",NA,"COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=NO)C4=CC=C(C=C4)F)OC2=O","MBTNWAFRXUFKCD-HIXSDJFHSA-N",24205387,NA,"PDBC21277","735339","Present",NA,NA
+"21278","3-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-8-methoxybenzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-8-methoxybenzo[c]chromen-6-one",NA,"COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=NOC)C4=CC=C(C=C4)F)OC2=O","ZAKSLVBULTXXAX-NJNXFGOHSA-N",24205388,NA,"PDBC21278","735340","Present",NA,NA
+"21279","3-[(2Z)-2-Hydroxyimino-2-(3-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2Z)-2-Hydroxyimino-2-(3-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one",NA,"COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=NO)C4=CC(=CC=C4)OC)OC2=O","DKPLLWGRXPMOSN-DARPEHSRSA-N",24205378,NA,"PDBC21279","735330","Present",NA,NA
+"21280","3-[(2Z)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2Z)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-8-methoxybenzo[c]chromen-6-one",NA,"COC1=CC=C(C=C1)C(=NO)COC2=CC3=C(C=C2)C4=C(C=C(C=C4)OC)C(=O)O3","WVYFTZCWGWQWPN-DARPEHSRSA-N",24205376,NA,"PDBC21280","735328","Present",NA,NA
+"21281","3-[(2Z)-2-Hydroxyiminopropoxy]-8-methoxybenzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2Z)-2-Hydroxyiminopropoxy]-8-methoxybenzo[c]chromen-6-one",NA,"CC(=NO)COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC)C(=O)O2","IQHRIIDMTAUVFB-ZDLGFXPLSA-N",24205389,NA,"PDBC21281","735341","Present",NA,NA
+"21282","3-[(2Z)-2-Methoxyimino-2-phenylethoxy]xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(2Z)-2-Methoxyimino-2-phenylethoxy]xanthen-9-one",NA,"CON=C(COC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3O2)C4=CC=CC=C4","BUSXVXGHGCLXJQ-FCDQGJHFSA-N",24202966,NA,"PDBC21282","726398","Present",NA,NA
+"21283","3-[(3,4,5-Trimethoxyphenyl)amino]quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,4,5-Trimethoxyphenyl)amino]quinoxaline-2-carboxylic acid",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3N=C2C(=O)O","RUOIAZMYQGLYND-UHFFFAOYSA-N",383925,NA,"PDBC21283","672881","Present",NA,NA
+"21284","3-[(3,4-Dichlorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Pyrido[3,2-h]-1,3-benzoxazine, 3-[(3,4-dichlorophenyl...",NA,"C1C2=C(C3=C(C=CC=N3)C=C2)OCN1CC4=CC(=C(C=C4)Cl)Cl","VUZSRKIHWDKOQQ-UHFFFAOYSA-N",291308,NA,"PDBC21284","156325","Present",NA,NA
+"21285","3-[(3,4-Dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,4-Dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"C1=CC(=C(C=C1CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)Cl)Cl","LMUHFEAYMZYYDR-UHFFFAOYSA-N",390819,NA,"PDBC21285","688821","Present",NA,NA
+"21286","3-[(3,4-Dihydroxyphenyl)methyl]-2-hydroxy-1-(2-isopropenyl-5-methyl-hex-4-enyl)-6,6-dimethyl-5,7-bis(3-methylbut-2-enyl)bicyclo[3.3.1]non-2-ene-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,4-Dihydroxyphenyl)methyl]-4-hydroxy-8,8-dimethyl-1,7-bis(3-methylbut-2-enyl)-5-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)bicyclo[3.3.1]non-3-ene-2,9-dione",NA,"CC(=CCC1CC2(C(=C(C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC3=CC(=C(C=C3)O)O)O)CC(CC=C(C)C)C(=C)C)C","VJXOJGNMGGVHLA-UHFFFAOYSA-N",377290,NA,"PDBC21286","658581","Present",NA,NA
+"21287","3-[(3,4-Dimethoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,4-Dimethoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"COC1=C(C=C(C=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)OC","BXHKUCPDUFBRTJ-UHFFFAOYSA-N",390817,NA,"PDBC21287","688819","Present",NA,NA
+"21288","3-[(3,5-Dichlorophenyl)methyl-methylamino]-1,2-diphenylpropan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,5-Dichlorobenzyl)(methyl)amino]-1,2-diphenylpropan-1-one",NA,"CN(CC1=CC(=CC(=C1)Cl)Cl)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3","HYBVVHAETRLEFE-UHFFFAOYSA-N",360991,NA,"PDBC21288","623723","Present",NA,NA
+"21289","3-[(3,5-Dichlorophenyl)sulfonylamino]-3-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,5-Dichlorophenyl)sulfonylamino]-3-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide",NA,"CCCCCCCCCCCCOC1C2C(OC1C(CC(=O)NCCN3CCCC3)NS(=O)(=O)C4=CC(=CC(=C4)Cl)Cl)OC(O2)(C)C","WFOJHQYIUWUDSB-UHFFFAOYSA-N",45028444,NA,"PDBC21289","742858","Present",NA,NA
+"21290","3-[(3,5-Dimethoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,5-Dimethoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline",NA,"COC1=CC(=CC(=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","JLCITVSQZPOUHW-UHFFFAOYSA-N",389427,NA,"PDBC21290","685509","Present",NA,NA
+"21291","3-[(3-Carboxy-5-chloro-2-hydroxy-phenyl)methyl]-5-chloro-2-hydroxy-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3-Carboxy-5-chloro-2-hydroxy-phenyl)methyl]-5-chloro-2-hydroxy-benzoic acid",NA,"C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)C(=O)O)O)O)C(=O)O)Cl","MYWSNMYFEXILSQ-UHFFFAOYSA-N",241379,NA,"PDBC21291","48684","Present",NA,NA
+"21292","3-[(3-Ethoxy-4-methoxyphenyl)-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3-Ethoxy-4-methoxy-phenyl)-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-2-hydroxy-chromen-4-one",NA,"CCOC1=C(C=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)OC","FXAGEJXMLSHWAG-UHFFFAOYSA-N",54688729,NA,"PDBC21292","707685","Present",NA,NA
+"21293","3-[(3-Fluorophenyl)carbamothioylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3-Fluorophenyl)carbamothioylsulfanyl]propanoic acid",NA,"C1=CC(=CC(=C1)F)NC(=S)SCCC(=O)O","PXCIQKJQAFWSDK-UHFFFAOYSA-N",3481241,NA,"PDBC21293","619428","Present",NA,NA
+"21294","3-[(3-Fluorophenyl)carbamoylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(3-Fluorophenylthiocarbamoyl)]-propanoic acid",NA,"C1=CC(=CC(=C1)F)NC(=O)SCCC(=O)O","XWQMOFPAJHEDKR-UHFFFAOYSA-N",363902,NA,"PDBC21294","629290","Present",NA,NA
+"21295","3-[(3-Nitrophenyl)carbamoylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(3-Nitrophenylthiocarbamoyl)]-propanoic acid",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)SCCC(=O)O","VCPOTSOUXVDVJO-UHFFFAOYSA-N",363896,NA,"PDBC21295","629284","Present",NA,NA
+"21296","3-[(3-Nitropyridin-2-yl)diazenyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3-Nitropyridin-2-yl)diazenyl]-1H-indol-2-ol",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C=CC=N3)[N+](=O)[O-]","ZGNFWOTUFNTVRI-UHFFFAOYSA-N",4418979,NA,"PDBC21296","602069","Present",NA,NA
+"21297","3-[(3-Pyridinyl)methylene]-5-methoxy-6-methylindolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3-Pyridinyl)methylene]-5-methoxy-6-methylindolin-2-one",NA,"CC1=CC2=C(C=C1OC)C(=CC3=CN=CC=C3)C(=O)N2","SXDBOMRCCADVJU-QPEQYQDCSA-N",5473202,NA,"PDBC21297","724433","Present",NA,NA
+"21298","3-[(3As)-2-methyl-3,3a,4,5-tetrahydrobenzo[g]indazol-3-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3As)-2-methyl-3,3a,4,5-tetrahydro-2H-benzo[g]indazol-3-yl]phenol",NA,"CN1C(C2CCC3=CC=CC=C3C2=N1)C4=CC(=CC=C4)O","SMBKGAFTZREEPP-PYUWXLGESA-N",374680,NA,"PDBC21298","652814","Present",NA,NA
+"21299","3-[(3E)-3-(Methylhydrazinylidene)-1-phenyl-2-(piperidin-1-ylmethyl)butyl]-2H-chromen-4-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3E)-3-(Methylhydrazinylidene)-1-phenyl-2-(piperidin-1-ylmethyl)butyl]-2H-chromen-4-ol;hydrochloride",NA,"CC(=NNC)C(CN1CCCCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4.Cl","WXOPSJXSDAGUDS-SOQZJLQASA-N",5351402,NA,"PDBC21299","647418","Present",NA,NA
+"21300","3-[(3E,7E,11E,15E)-18-(3,3-Dimethylthiiran-2-yl)-3,7,12,16-tetramethyl-octadeca-3,7,11,15-tetraenyl]-2,2-dimethyl-oxirane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3E,7E,11E,15E)-18-(3,3-Dimethylthiiran-2-yl)-3,7,12,16-tetramethyloctadeca-3,7,11,15-tetraenyl]-2,2-dimethyloxirane",NA,"CC(=CCCC=C(C)CCC=C(C)CCC1C(S1)(C)C)CCC=C(C)CCC2C(O2)(C)C","FQVRTIUYKGARMY-TXLDAEQNSA-N",5467352,NA,"PDBC21300","651004","Present",NA,NA
+"21301","3-[(3R)-3-Aminopyrrolidine-1-carbonyl]-5,10-dihydroxy-2-methylnaphtho[2,3-f][1]benzofuran-4,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-3-(3-aminopyrrolidine-1-carbonyl)-4,11-dihydroxy-2-m...",NA,"CC1=C(C2=C(O1)C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O)C(=O)N5CCC(C5)N","GYYACSOHDBBOMG-SNVBAGLBSA-N",137631218,NA,"PDBC21301","766921","Present",NA,NA
+"21302","3-[(3Z)-3-(2-Hydroxyethoxyimino)indol-2-yl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3Z)-3-(2-Hydroxyethoxyimino)indol-2-yl]-1H-indol-2-ol",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCO","DBQBVWQSCVSKJI-PGMHBOJBSA-N",135436293,NA,"PDBC21302","717833","Present",NA,NA
+"21303","3-[(3Z)-3-(3-Hydroxypropoxyimino)indol-2-yl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3Z)-3-(3-Hydroxypropoxyimino)indol-2-yl]-1H-indol-2-ol",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCCO","JGRCUNSBOPZQIG-XLNRJJMWSA-N",135436294,NA,"PDBC21303","717834","Present",NA,NA
+"21304","3-[(4,5-Dimethoxy-2-nitro-anilino)methyl]-7,8-dimethoxy-chroman-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4,5-Dimethoxy-2-nitro-anilino)methyl]-7,8-dimethoxy-chroman-4-one",NA,"COC1=C(C2=C(C=C1)C(=O)C(CO2)CNC3=CC(=C(C=C3[N+](=O)[O-])OC)OC)OC","ZEHUUMPOOHZPLB-UHFFFAOYSA-N",355394,NA,"PDBC21304","608833","Present",NA,NA
+"21305","3-[(4,5-Dimethoxy-2-nitro-phenyl)methoxycarbonyl]thiazolidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{[(4,5-Dimethoxy-2-nitrobenzyl)oxy]carbonyl}-1,3-thiazolidine-4-carboxylic acid",NA,"COC1=C(C=C(C(=C1)COC(=O)N2CSCC2C(=O)O)[N+](=O)[O-])OC","HLCVGBQZVARFNV-UHFFFAOYSA-N",375624,NA,"PDBC21305","655446","Present",NA,NA
+"21306","3-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-ethyl-1H-1,2,4-triazole-5-thione",NA,"CCN1C(=NNC1=S)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","YDDLAKKAHJWKKC-UHFFFAOYSA-N",3004407,NA,"PDBC21306","650819","Present",NA,NA
+"21307","3-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-5-ethylsulfanyl-4-phenyl-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-5-ethylsulfanyl-4-phenyl-1,2,4-triazole",NA,"CCSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5","ZCLSFQCZNYOWFI-UHFFFAOYSA-N",370614,NA,"PDBC21307","643905","Present",NA,NA
+"21308","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-fluorophenyl)methyl]-4,7-dihydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-fluorophenyl)methyl]-4,7-dihydroxy-chromen-2-one",NA,"C1=CC=C(C(=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O)F","CPOUBPAXSCZNDP-UHFFFAOYSA-N",54686211,NA,"PDBC21308","686582","Present",NA,NA
+"21309","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)methyl]-4,7-dihydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)methyl]-4,7-dihydroxy-chromen-2-one",NA,"C1=CC=C2C=C(C=CC2=C1)C(C3=C(C4=C(C=C(C=C4)O)OC3=O)O)C5=C(C6=C(C=C(C=C6)O)OC5=O)O","XUGKUQFLVGMDAZ-UHFFFAOYSA-N",54680670,NA,"PDBC21309","686575","Present",NA,NA
+"21310","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-pyridyl)methyl]-4,7-dihydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(2-pyridyl)methyl]-4,7-dihydroxy-chromen-2-one",NA,"C1=CC=NC(=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O","GOILOMCGUQUBPC-UHFFFAOYSA-N",54686240,NA,"PDBC21310","686581","Present",NA,NA
+"21311","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(3-pyridyl)methyl]-4,7-dihydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-(3-pyridyl)methyl]-4,7-dihydroxy-chromen-2-one",NA,"C1=CC(=CN=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O","FXBQFSDQNSBOAW-UHFFFAOYSA-N",54686239,NA,"PDBC21311","686580","Present",NA,NA
+"21312","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]-4,7-dihydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]-4,7-dihydroxy-chromen-2-one",NA,"C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(C3=C(C4=C(C=C(C=C4)O)OC3=O)O)C5=C(C6=C(C=C(C=C6)O)OC5=O)O","REVJZDNNUGJQRS-VOTSOKGWSA-N",54686238,NA,"PDBC21312","686394","Present",NA,NA
+"21313","3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-phenyl-methyl]-4,7-dihydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4,7-Dihydroxy-2-oxo-chromen-3-yl)-phenyl-methyl]-4,7-dihydroxy-chromen-2-one",NA,"C1=CC=C(C=C1)C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O","VVWWDJLASYYMNG-UHFFFAOYSA-N",54680450,NA,"PDBC21313","682614","Present",NA,NA
+"21314","3-[(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)methoxy]propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Aminopyrazolo[5,4-d]pyrimidin-1-yl)methoxy]propane-1,2-diol",NA,"C1=NN(C2=NC=NC(=C21)N)COCC(CO)O","MOYWNLMAVYKYDH-UHFFFAOYSA-N",396582,NA,"PDBC21314","703071","Present",NA,NA
+"21315","3-[(4-Benzamidophenyl)sulfonylamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Benzamidophenyl)sulfonylamino]propanoic acid",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NCCC(=O)O","UXMZJCAIRTXPEW-UHFFFAOYSA-N",362843,NA,"PDBC21315","627216","Present",NA,NA
+"21316","3-[(4-Benzoylphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Benzoylphenyl)-(2-hydroxy-4-oxo-chromen-3-yl)methyl]-2-hydroxy-chromen-4-one",NA,"C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","RWJGGLMZTPAXFX-UHFFFAOYSA-N",54694512,NA,"PDBC21316","689411","Present",NA,NA
+"21317","3-[(4-Benzyloxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Benzyloxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","MAEXMJZVOCLSLV-UHFFFAOYSA-N",54685686,NA,"PDBC21317","686382","Present",NA,NA
+"21318","3-[(4-Bromophenyl)diazenyl]-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Bromophenyl)azo-2-methyl-pyrimido[2,3-b][1,3]benzothiazol-4-one",NA,"CC1=C(C(=O)N2C3=CC=CC=C3SC2=N1)N=NC4=CC=C(C=C4)Br","HGQCKJYCEULSFX-UHFFFAOYSA-N",397293,NA,"PDBC21318","704846","Present",NA,NA
+"21319","3-[(4-Bromophenyl)iminomethyl]-4-hydroxy-5-methoxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Bromophenyl)iminomethyl]-4-hydroxy-5-methoxybenzaldehyde",NA,"COC1=CC(=CC(=C1O)C=NC2=CC=C(C=C2)Br)C=O","NREJEICTUDYQGR-UHFFFAOYSA-N",403367,NA,"PDBC21319","718160","Present",NA,NA
+"21320","3-[(4-Carboxyphenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Carboxyphenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"C1=CC(=CC=C1C(=O)O)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","XFOHAPPNKPGXTH-UHFFFAOYSA-N",386965,NA,"PDBC21320","680192","Present",NA,NA
+"21321","3-[(4-Chloroanilino)methyl]-5-[8-[4-[(4-chloroanilino)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chloroanilino)methyl]-5-[8-[4-[(4-chloroanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione",NA,"C1=CC(=CC=C1NCN2C(=S)OC(=N2)CCCCCCCCC3=NN(C(=S)O3)CNC4=CC=C(C=C4)Cl)Cl","IUKKVKUJPCDFQA-UHFFFAOYSA-N",394059,NA,"PDBC21321","697177","Present",NA,NA
+"21322","3-[(4-Chlorophenoxy)-(2-oxo-1,3-benzoxazol-3-yl)phosphoryl]-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenoxy)-(2-oxo-1,3-benzoxazol-3-yl)phosphoryl]-1,3-benzoxazol-2-one",NA,"C1=CC=C2C(=C1)N(C(=O)O2)P(=O)(N3C4=CC=CC=C4OC3=O)OC5=CC=C(C=C5)Cl","TYICZEUUYKBVGU-UHFFFAOYSA-N",359351,NA,"PDBC21322","620150","Present",NA,NA
+"21323","3-[(4-Chlorophenoxy)methyl]-10-methyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenoxy)methyl]-10-methyl-[1,2,4]triazolo[4,3-b][1,2,4]benzothiadiazine 5,5-dioxide",NA,"CN1C2=CC=CC=C2S(=O)(=O)N3C1=NN=C3COC4=CC=C(C=C4)Cl","NZKNCMVBGGKKNK-UHFFFAOYSA-N",341528,NA,"PDBC21323","373878","Present",NA,NA
+"21324","3-[(4-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione",NA,"COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=NNC3=S)COC4=CC=C(C=C4)Cl)[N+](=O)[O-]","GPGIDQQQSVUHEL-FOKLQQMPSA-N",9572707,NA,"PDBC21324","724645","Present",NA,NA
+"21325","3-[(4-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenoxy)methyl]-6-(4-fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)COC5=CC=C(C=C5)Cl)F","FZCYPELGZKLKRT-UHFFFAOYSA-N",11236342,NA,"PDBC21325","726272","Present",NA,NA
+"21326","3-[(4-Chlorophenoxy)methyl]-6-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenoxy)methyl]-6-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC(=CC=C1OCC2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)Cl","CNNRMJNITVFYPP-UHFFFAOYSA-N",402005,NA,"PDBC21326","715694","Present",NA,NA
+"21327","3-[(4-Chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(p-Chlorophenoxy)methylenetriazolo[3,4-b]thiadiazol-2-...",NA,"C1=CC(=CC=C1OCC2=NN=C3N2NC(=S)S3)Cl","HWOAQZBIJPMRLH-UHFFFAOYSA-N",5473014,NA,"PDBC21327","723444","Present",NA,NA
+"21328","3-[(4-Chlorophenyl)-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)methyl]-4-hydroxy-naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)methyl]-4-hydroxy-naphthalene-1,2-dione",NA,"C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C(C3=CC=C(C=C3)Cl)C4=C(C5=CC=CC=C5C(=O)C4=O)O)O","HVYRMCCQYYCOET-UHFFFAOYSA-N",272648,NA,"PDBC21328","117271","Present",NA,NA
+"21329","3-[(4-Chlorophenyl)carbamothioyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)carbamothioyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid",NA,"C1=CC(=CC=C1NC(=S)N2C(=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)O)COC4=CC=C(C=C4)OC5=C(C=C(C=C5)Cl)Cl)Cl","YWKFPKLIYXDYAP-UHFFFAOYSA-N",5472400,NA,"PDBC21329","718388","Present",NA,NA
+"21330","3-[(4-Chlorophenyl)diazenyl]-2-methylpyrimido[2,1-b][1,3]benzothiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)azo-2-methyl-pyrimido[2,3-b][1,3]benzothiazol-4-one",NA,"CC1=C(C(=O)N2C3=CC=CC=C3SC2=N1)N=NC4=CC=C(C=C4)Cl","PDXNGIPOFUSTLT-UHFFFAOYSA-N",397288,NA,"PDBC21330","704841","Present",NA,NA
+"21331","3-[(4-Chlorophenyl)methyl]-2-methylbenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorobenzyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4C2=O","SVSHJTUWAATVTO-UHFFFAOYSA-N",374273,NA,"PDBC21331","651774","Present",NA,NA
+"21332","3-[(4-Chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)-1H-1,2,4-triazol-5-one",NA,"CC1=CC=C(N1N2C(=NNC2=O)CC3=CC=C(C=C3)Cl)C","UVZYZMKVYKVBFU-UHFFFAOYSA-N",388872,NA,"PDBC21332","684065","Present",NA,NA
+"21333","3-[(4-Chlorophenyl)methyl]-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-(2-hydroxyethyl)-1H-1,2,4-triazol-5-one",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2CCO)Cl","KGZUCGBHJFXKIX-UHFFFAOYSA-N",389499,NA,"PDBC21333","685785","Present",NA,NA
+"21334","3-[(4-Chlorophenyl)methyl]-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"COC1=CC(=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl)OC","UHFIBKJUHOTYFV-RGVLZGJSSA-N",9556390,NA,"PDBC21334","702398","Present",NA,NA
+"21335","3-[(4-Chlorophenyl)methyl]-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"COC1=CC(=CC(=C1OC)OC)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","XHUOJPOGQORZTR-SRZZPIQSSA-N",9556360,NA,"PDBC21335","698069","Present",NA,NA
+"21336","3-[(4-Chlorophenyl)methyl]-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-[(E)-(3-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"COC1=CC=CC(=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","KQPGZLXJMDQZKV-YBFXNURJSA-N",9556356,NA,"PDBC21336","698065","Present",NA,NA
+"21337","3-[(4-Chlorophenyl)methyl]-4-[(E)-(4-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-[(E)-(4-methoxyphenyl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"COC1=CC=C(C=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","FIRDABOFDSKZES-YBFXNURJSA-N",9556352,NA,"PDBC21337","698061","Present",NA,NA
+"21338","3-[(4-Chlorophenyl)methyl]-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2N=CC3=CC=C(O3)[N+](=O)[O-])Cl","SALZHTFMSVUBNK-LZYBPNLTSA-N",9556388,NA,"PDBC21338","702396","Present",NA,NA
+"21339","3-[(4-Chlorophenyl)methyl]-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-[(E)-1H-indol-3-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C2C(=C1)C(=CN2)C=NN3C(=NNC3=O)CC4=CC=C(C=C4)Cl","NZWNQZXJJFMUPL-SRZZPIQSSA-N",135505174,NA,"PDBC21339","702402","Present",NA,NA
+"21340","3-[(4-Chlorophenyl)methyl]-4-[(E)-[4-[(Z)-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-[(E)-[4-[(Z)-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenyl]methylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2N=CC3=CC=C(C=C3)C=NN4C(=NNC4=O)CC5=CC=C(C=C5)Cl)Cl","LXKIWHMEXCVGPA-CBTGBURPSA-N",54611479,NA,"PDBC21340","706420","Present",NA,NA
+"21341","3-[(4-Chlorophenyl)methyl]-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=COC(=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","XNASOMWPYMBKJQ-CXUHLZMHSA-N",9556342,NA,"PDBC21341","698051","Present",NA,NA
+"21342","3-[(4-Chlorophenyl)methyl]-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-[(E)-thiophen-2-ylmethylideneamino]-1H-1,2,4-triazol-5-one",NA,"C1=CSC(=C1)C=NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","GWBZYEHFFAYTEP-CXUHLZMHSA-N",9556346,NA,"PDBC21342","698055","Present",NA,NA
+"21343","3-[(4-Chlorophenyl)methyl]-4-hydroxy-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-4-hydroxy-1H-1,2,4-triazol-5-one",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2O)Cl","KVINILXXNJBRJB-UHFFFAOYSA-N",385478,NA,"PDBC21343","676714","Present",NA,NA
+"21344","3-[(4-Chlorophenyl)methyl]-7-(4-methoxyphenyl)-8H-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorobenzyl)-7-(4-methoxyphenyl)-4h,8h-[1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-one",NA,"COC1=CC=C(C=C1)C2=NN3C(=O)C(=NN=C3SC2)CC4=CC=C(C=C4)Cl","OWNXPHGDVWOTKG-UHFFFAOYSA-N",400830,NA,"PDBC21344","713336","Present",NA,NA
+"21345","3-[(4-Chlorophenyl)methyl]-7-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chlorophenyl)methyl]-7-[5-(2,4-dichlorophenyl)furan-2-yl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,"C1=CC(=CC=C1CC2=NN=C3N(C2=O)N=C(S3)C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl)Cl","HWWJWKSSDWFSDW-UHFFFAOYSA-N",400797,NA,"PDBC21345","713303","Present",NA,NA
+"21346","3-[(4-Ethoxycarbonylphenyl)carbamoylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(4-Ethylcarboxyphenylthiocarbamoyl)]-propanoic acid",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=O)SCCC(=O)O","OGOHCOQFGDXLKD-UHFFFAOYSA-N",363904,NA,"PDBC21346","629292","Present",NA,NA
+"21347","3-[(4-Fluorophenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Fluorophenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)F","WVQUAYBMGCGGIM-UHFFFAOYSA-N",392820,NA,"PDBC21347","693776","Present",NA,NA
+"21348","3-[(4-Fluorophenyl)amino]quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Fluorophenyl)amino]quinoxaline-2-carboxylic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)F)C(=O)O","BZHSZRHMWYFZME-UHFFFAOYSA-N",387140,NA,"PDBC21348","680556","Present",NA,NA
+"21349","3-[(4-Fluorophenyl)methyl]-2-methylbenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Fluorobenzyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=NC2=C(N1CC3=CC=C(C=C3)F)C(=O)C4=CC=CC=C4C2=O","JTHJARBCUPHUQE-UHFFFAOYSA-N",374275,NA,"PDBC21349","651776","Present",NA,NA
+"21350","3-[(4-Hydroxyethylpiperidine)-1-propyl]-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Hydroxyethylpiperidine)-1-propyl]-5,6-dihydro-2,3-...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCN(CC6)CCO)OC","JYHRUUYQZXLFOH-UHFFFAOYSA-N",16090543,NA,"PDBC21350","724995","Present",NA,NA
+"21351","3-[(4-Hydroxyphenyl)methyl]-5,7,8-trimethoxy-2,3-dihydrochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5, 7, 8-trimethoxy-3-(4'-hydroxybenzyl)-4-chromanone",NA,"COC1=CC(=C(C2=C1C(=O)C(CO2)CC3=CC=C(C=C3)O)OC)OC","PHRUXNVWPBRUKM-UHFFFAOYSA-N",404857,NA,"PDBC21351","721401","Present",NA,NA
+"21352","3-[(4-Iodophenyl)methylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Iodobenzyl)sulfanyl]propanoic acid",NA,"C1=CC(=CC=C1CSCCC(=O)O)I","AMKZYZIVWNLINY-UHFFFAOYSA-N",236954,NA,"PDBC21352","40019","Present",NA,NA
+"21353","3-[(4-Methoxyanilino)methyl]-5-[8-[4-[(4-methoxyanilino)methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Methoxyanilino)methyl]-5-[8-[4-[(4-methoxyanilino)methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione",NA,"COC1=CC=C(C=C1)NCN2C(=S)OC(=N2)CCCCCCCCC3=NN(C(=S)O3)CNC4=CC=C(C=C4)OC","QYUMVTGEEBDFGS-UHFFFAOYSA-N",394060,NA,"PDBC21353","697178","Present",NA,NA
+"21354","3-[(4-Methoxycarbonylcubane-1-carbonyl)amino]-3-methyl-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Methoxycarbonylcubane-1-carbonyl)amino]-3-methyl-butanoic acid",NA,"CC(C)(CC(=O)O)NC(=O)C12C3C4C1C5C2C3C45C(=O)OC","WWKVEJNGAUHLSZ-UHFFFAOYSA-N",386908,NA,"PDBC21354","679809","Present",NA,NA
+"21355","3-[(4-Methoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Methoxyphenoxy)methyl]-2-phenyl-6-(trifluoromethyl)quinoxaline",NA,"COC1=CC=C(C=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","NUPDXNKQHOAJIA-UHFFFAOYSA-N",389428,NA,"PDBC21355","685510","Present",NA,NA
+"21356","3-[(4-Methoxyphenyl)amino]quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Methoxyphenyl)amino]quinoxaline-2-carboxylic acid",NA,"COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)O","MVBOGMAOIQCWMS-UHFFFAOYSA-N",388005,NA,"PDBC21356","682368","Present",NA,NA
+"21357","3-[(4-Methoxyphenyl)methyl]-2-methylbenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Methoxybenzyl)-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=NC2=C(N1CC3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4C2=O","PUYYBWVHNYXRJH-UHFFFAOYSA-N",374274,NA,"PDBC21357","651775","Present",NA,NA
+"21358","3-[(4-Methoxyphenyl)thio]-2H-isoindole-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-carbaldehyde-3-(4-methoxy-phenylsulfanyl)-2H-isoindole",NA,"COC1=CC=C(C=C1)SC2=C3C=CC=CC3=C(N2)C=O","XHWPCVAJPVXNPY-UHFFFAOYSA-N",53361730,NA,"PDBC21358","749086","Present",NA,NA
+"21359","3-[(4-Methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid",NA,"CC1=CC=C(C=C1)NC(=O)C2C3CCC(C2C(=O)O)O3","BENBELMNAUKKHX-UHFFFAOYSA-N",369533,NA,"PDBC21359","641390","Present",NA,NA
+"21360","3-[(4-Methylphenyl)sulfonylcarbamoylamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(p-Tolylsulfonylcarbamoylamino)propanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC(=O)O","AKDCATILENXQKJ-UHFFFAOYSA-N",396486,NA,"PDBC21360","702670","Present",NA,NA
+"21361","3-[(4-Methylpiperazin-1-yl)methyl]indeno[1,2-c]pyridazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Methylpiperazin-1-yl)methyl]indeno[1,2-c]pyridazin-5-one",NA,"CN1CCN(CC1)CC2=CC3=C(C4=CC=CC=C4C3=O)N=N2","RGRONFKERSVOCR-UHFFFAOYSA-N",387037,NA,"PDBC21361","680357","Present",NA,NA
+"21362","3-[(4-Nitrophenyl)carbamothioylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(4-Nitrophenyldithiocarbamoyl)]-propanoic acid",NA,"C1=CC(=CC=C1NC(=S)SCCC(=O)O)[N+](=O)[O-]","YGHYFASWXGQOMN-UHFFFAOYSA-N",3004113,NA,"PDBC21362","629286","Present",NA,NA
+"21363","3-[(4-Nitrophenyl)carbamoylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(4-Nitrophenylthiocarbamoyl)]-propanoic acid",NA,"C1=CC(=CC=C1NC(=O)SCCC(=O)O)[N+](=O)[O-]","XVPMIIMBONFWDX-UHFFFAOYSA-N",363897,NA,"PDBC21363","629285","Present",NA,NA
+"21364","3-[(4-Nitrophenyl)methyl]-1,4-dihydro-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Nitrophenyl)methyl]-1,4-dihydro-1,2,4-triazol-5-one",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2)[N+](=O)[O-]","LSBKXAKAWCNZNU-UHFFFAOYSA-N",135489804,NA,"PDBC21364","678391","Present",NA,NA
+"21365","3-[(4-Phenyldiazenylphenyl)carbamoylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Phenyldiazenylphenyl)carbamoylsulfanyl]propanoic acid",NA,"C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)SCCC(=O)O","VJZSWYVJGBJPID-UHFFFAOYSA-N",359046,NA,"PDBC21365","619423","Present",NA,NA
+"21366","3-[(4R,5R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4R,5R)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentane-2,4-dione",NA,"CC(=O)C(C1C(OC(O1)(C)C)C2COC(O2)(C)C)C(=O)C","JDWNJTKXDUWOIJ-KGYLQXTDSA-N",399503,NA,"PDBC21366","710364","Present",NA,NA
+"21367","3-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]pentane-2,4-dione",NA,"CC(=O)C(C1C(OC(O1)(C)C)C2COC(O2)(C)C)C(=O)C","JDWNJTKXDUWOIJ-RTXFEEFZSA-N",400536,NA,"PDBC21367","712581","Present",NA,NA
+"21368","3-[(4Z)-4-[(2-Nitrophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4Z)-4-[(2-Nitrophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=NC(=CC5=CC=CC=C5[N+](=O)[O-])C4=O)C6=CC=CC=C6","ODIBIVIJJVLMIU-PLRJNAJWSA-N",5799413,NA,"PDBC21368","657367","Present",NA,NA
+"21369","3-[(4Z)-4-[(3,5-Dibromophenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4Z)-4-[(3,5-Dibromophenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,"CC1=NC(=CC2=CC(=CC(=C2)Br)Br)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","DHTKJYAJEJENSN-XKZIYDEJSA-N",6306751,NA,"PDBC21369","657368","Present",NA,NA
+"21370","3-[(4Z)-4-[(3-Chlorophenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4Z)-4-[(3-Chlorophenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,"CC1=NC(=CC2=CC(=CC=C2)Cl)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","RDEGRTHXCFSWJD-JCMHNJIXSA-N",5930174,NA,"PDBC21370","657362","Present",NA,NA
+"21371","3-[(4Z)-4-[(3-Chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4Z)-4-[(3-Chlorophenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=NC(=CC5=CC(=CC=C5)Cl)C4=O)C6=CC=CC=C6","CWRYGBUNNYNGAO-XHPQRKPJSA-N",6296347,NA,"PDBC21371","657363","Present",NA,NA
+"21372","3-[(4Z)-4-[(3-Hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4Z)-4-[(3-Hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=NC(=CC5=CC(=CC=C5)O)C4=O)C6=CC=CC=C6","IVWHOSKGAIBAAZ-XHPQRKPJSA-N",5916453,NA,"PDBC21372","657366","Present",NA,NA
+"21373","3-[(4Z)-4-[(3-Methoxyphenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4Z)-4-[(3-Methoxyphenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,"CC1=NC(=CC2=CC(=CC=C2)OC)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","ZRSWSDNUBJGSGC-KQWNVCNZSA-N",6081364,NA,"PDBC21373","657364","Present",NA,NA
+"21374","3-[(4Z)-4-[(3-Methoxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4Z)-4-[(3-Methoxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,"COC1=CC=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","NBXDARPXNDBAMG-OOAXWGSJSA-N",5927953,NA,"PDBC21374","657365","Present",NA,NA
+"21375","3-[(4Z)-4-[(4-Hydroxyphenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4Z)-4-[(4-Hydroxyphenyl)methylene]-2-methyl-5-oxo-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,"CC1=NC(=CC2=CC=C(C=C2)O)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","MDEZDBIRXIUURX-JCMHNJIXSA-N",6070686,NA,"PDBC21375","657356","Present",NA,NA
+"21376","3-[(4Z)-4-[(4-Hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4Z)-4-[(4-Hydroxyphenyl)methylene]-5-oxo-2-phenyl-imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=NC(=CC5=CC=C(C=C5)O)C4=O)C6=CC=CC=C6","PVFYZPXAJJHLJN-XHPQRKPJSA-N",5803241,NA,"PDBC21376","657357","Present",NA,NA
+"21377","3-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylene]imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4Z)-5-Oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylene]imidazol-1-yl]-2-phenyl-quinazolin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","CPANPPPTWOKTNI-ITYLOYPMSA-N",5874010,NA,"PDBC21377","657361","Present",NA,NA
+"21378","3-[(5-Chloro-1,3-benzoxazol-2-yl)methylamino]-1H-1,2,4-triazole-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{[(5-Chloro-1,3-benzoxazol-2-yl)methyl]amino}-1h-1,2,4-triazole-5-carboxylic acid",NA,"C1=CC2=C(C=C1Cl)N=C(O2)CNC3=NNC(=N3)C(=O)O","QDXRBCABHIXDFB-UHFFFAOYSA-N",401577,NA,"PDBC21378","715272","Present",NA,NA
+"21379","3-[(5-Oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]butanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(5-Oxo-[1,3,4]thiadiazolo[2,3-b]quinazolin-2-yl)amino]butanal",NA,"CC(CC=O)NC1=NN2C(=O)C3=CC=CC=C3N=C2S1","GBRQTLLEKUOFPZ-UHFFFAOYSA-N",396305,NA,"PDBC21379","702029","Present",NA,NA
+"21380","3-[(6-Benzyl-5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]propyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6-Benzyl-5-methyl-2,4-dioxo-pyrimidin-1-yl)methoxy]propyl acetate",NA,"CC1=C(N(C(=O)NC1=O)COCCCOC(=O)C)CC2=CC=CC=C2","JHMYDEWEMJEPMV-UHFFFAOYSA-N",392943,NA,"PDBC21380","694154","Present",NA,NA
+"21381","3-[(6-Chloro-2-methoxy-acridin-9-yl)amino]propyl-[16-[3-[(6-chloro-2-methoxy-acridin-9-yl)amino]propyl-dimethyl-ammonio]hexadecyl]-dimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(6-Chloro-2-methoxyacridin-9-yl)amino]propyl-[16-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl-dimethylazaniumyl]hexadecyl]-dimethylazanium",NA,"C[N+](C)(CCCCCCCCCCCCCCCC[N+](C)(C)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)CCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC","SOSRTZNWDFUFER-UHFFFAOYSA-N",427949,NA,"PDBC21381","226510","Present",NA,NA
+"21382","3-[(6-Chloropyridin-3-yl)oxymethyl]-2-azabicyclo[2.2.0]hex-5-ene;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{[(6-Chloropyridin-3-yl)oxy]methyl}-2-azabicyclo[2.2.0]hex-5-ene ethanedioate",NA,"C1=CC2C1C(N2)COC3=CN=C(C=C3)Cl.C(=O)(C(=O)O)O","RRRHAVDBNMYMOV-UHFFFAOYSA-N",401403,NA,"PDBC21382","714932","Present",NA,NA
+"21383","3-[(6-Chloropyridin-3-yl)oxymethyl]-2-azabicyclo[2.2.2]octane;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{[(6-Chloropyridin-3-yl)oxy]methyl}-2-azabicyclo[2.2.2]octane hydrochloride",NA,"C1CC2CCC1C(N2)COC3=CN=C(C=C3)Cl.Cl","KNRISQHUEXTITE-UHFFFAOYSA-N",401397,NA,"PDBC21383","714929","Present",NA,NA
+"21384","3-[(6-Methoxyquinolin-8-yl)amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OOAVDHSWYXYUIT-UHFFFAOYSA-N",NA,"COC1=CC(=C2C(=C1)C=CC=N2)NCCC(=O)O","OOAVDHSWYXYUIT-UHFFFAOYSA-N",232155,NA,"PDBC21384","29209","Present",NA,NA
+"21385","3-[(7-Chloroquinolin-4-yl)amino]propane-1,2-diol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(7-Chloroquinolin-4-yl)amino]propane-1,2-diol;hydrochloride",NA,"C1=CC2=C(C=CN=C2C=C1Cl)NCC(CO)O.Cl","ZEIJGIBDTVMVTI-UHFFFAOYSA-N",370992,NA,"PDBC21385","644812","Present",NA,NA
+"21386","3-[(7-Methoxy-1-nitro-acridin-9-yl)amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(7-Methoxy-1-nitro-acridin-9-yl)amino]propanoic acid",NA,"COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCC(=O)O","NFWSKLAUALATLI-UHFFFAOYSA-N",378850,NA,"PDBC21386","662190","Present",NA,NA
+"21387","3-[(7-Methoxy-1-nitroacridin-9-yl)amino]propan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridinamine, N-(3-hydroxypropyl)-7-methoxy-1-nitro-",NA,"COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCCO","LDRJZRDGRTXWOE-UHFFFAOYSA-N",384251,NA,"PDBC21387","673797","Present",NA,NA
+"21388","3-[(9-Amino-7-ethoxyacridin-3-yl)diazenyl]pyridine-2,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((9-Amino-7-ethoxyacridin-3-yl)diazenyl)pyridine-2,6-d...",NA,"CCOC1=CC2=C(C3=C(C=C(C=C3)N=NC4=C(N=C(C=C4)N)N)N=C2C=C1)N.Cl","HYTMVPCGCCQGST-UHFFFAOYSA-N",54607743,NA,"PDBC21388","354961","Present",NA,NA
+"21389","3-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one",NA,"C1CCC(CC1)N2C(=NNC2=O)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53","BYBLYGQFUXYQTB-UHFFFAOYSA-N",394895,NA,"PDBC21389","698986","Present",NA,NA
+"21390","3-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione",NA,"C1CCC(CC1)N2C(=NNC2=S)CN3C4=C(C=C(C=C4)Br)C5=NC6=CC=CC=C6N=C53","QKWCHGIAVAZNMX-UHFFFAOYSA-N",3005420,NA,"PDBC21390","698984","Present",NA,NA
+"21391","3-[(Aminocarbonyl)amino-N-4benzylphenyl]-N-(4-benzylphenyl)-1H-pyrazole-5-phenyl-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(aminocarbonyl)amino-N-4benzylphenyl]-N-(4-benzylphen...",NA,"C1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)NC3=NN(C4=CC=CC=C43)C(=O)NC5=CC=C(C=C5)CC6=CC=CC=C6","BXXDEXOUBTUWQH-UHFFFAOYSA-N",25197380,NA,"PDBC21391","742805","Present",NA,NA
+"21392","3-[(Dimethylamino)methyl]-4,11-bis[2-(methylamino)ethylamino]-1H-naphtho[2,3-f]indole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-bis{[2-(methylamino)ethyl]amino}-3-[(dimethylamino)...",NA,"CNCCNC1=C2C(=C(C3=C1C(=CN3)CN(C)C)NCCNC)C(=O)C4=CC=CC=C4C2=O","RBPWHCJUAWCVHY-UHFFFAOYSA-N",24203005,NA,"PDBC21392","726447","Present",NA,NA
+"21393","3-[(Dimethylamino)methyl]-4,3-f]in dole-5,10-dione hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(dimethylamino)methyl]-4,11-dihydroxy-1H-naphtho[2,3-...",NA,"CN(C)CC1=CNC2=C1C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)O)O.Cl","MLTCXVZNLHVOFS-UHFFFAOYSA-N",135585398,NA,"PDBC21393","726439","Present",NA,NA
+"21394","3-[(E)-(1-Methyl-2-chloro-1H-indole-3-yl)methylene]-5-methoxy-1H-indole-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-(1-Methyl-2-chloro-1H-indole-3-yl)methylene]-5-methoxy-1H-indole-2(3H)-one",NA,"CN1C2=CC=CC=C2C(=C1Cl)C=C3C4=C(C=CC(=C4)OC)NC3=O","WLSVBVPEQBSCTH-XNTDXEJSSA-N",10569058,NA,"PDBC21394","726903","Present",NA,NA
+"21395","3-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-1,1-dipropyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-(6-Methyl-2-pyridyl)methyleneamino]-1,1-dipropyl-thiourea",NA,"CCCN(CCC)C(=S)NN=CC1=CC=CC(=N1)C","FRWBTUMOMNIVOB-RVDMUPIBSA-N",9554748,NA,"PDBC21395","667874","Present",NA,NA
+"21396","3-[(E)-1-(1H-Imidazol-2-yl)ethylideneamino]-1,1-dimethyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-1-(1H-Imidazol-2-yl)ethylideneamino]-1,1-dimethyl-thiourea",NA,"CC(=NNC(=S)N(C)C)C1=NC=CN1","YLUUOXNZRRRNMR-IZZDOVSWSA-N",135429908,NA,"PDBC21396","376268","Present",NA,NA
+"21397","3-[(E)-1-(2-Hydroxy-4-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-1-(2-Hydroxy-4-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea",NA,"CC(=NNC(=S)N(C)C)C1=C(C=C(C=C1)OC)O","CLWNQWBHUWAQFA-MDWZMJQESA-N",135493996,NA,"PDBC21397","689547","Present",NA,NA
+"21398","3-[(E)-1-(2-Hydroxy-5-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-1-(2-Hydroxy-5-methoxy-phenyl)ethylideneamino]-1,1-dimethyl-thiourea",NA,"CC(=NNC(=S)N(C)C)C1=C(C=CC(=C1)OC)O","ATUBDQAUSKMLSV-MDWZMJQESA-N",135493994,NA,"PDBC21398","689545","Present",NA,NA
+"21399","3-[(E)-1-(3-1-[(4-Fluorophenyl)sulfonyl]-4-piperidylimidazo[1,5-a]pyridin-1-yl)methylidene]-2-indolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-1-(3-1-[(4-fluorophenyl)sulfonyl]-4-piperidylimid...",NA,"C1CN(CCC1C2=NC(=C3N2C=CC=C3)C=C4C5=CC=CC=C5NC4=O)S(=O)(=O)C6=CC=C(C=C6)F","OVIYRFOWXSDFTC-OQKWZONESA-N",54613720,NA,"PDBC21399","750970","Present",NA,NA
+"21400","3-[(E)-1-Hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-1,4-benzothiazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-1-Hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-1,4-benzothiazin-2-one",NA,"C1=CC=C(C=C1)C(=C(C2=NC3=CC=CC=C3SC2=O)C(=O)C4=CC=CC=C4)O","JHTQCNXWBKYADQ-XUTLUUPISA-N",135505241,NA,"PDBC21400","707088","Present",NA,NA
+"21401","3-[(E)-1-Hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-4a,5,6,7,8,8a-hexahydro-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-1-Hydroxy-3-oxo-1,3-diphenylprop-1-en-2-yl]-4a,5,6,7,8,8a-hexahydro-1H-quinoxalin-2-one",NA,"C1CCC2C(C1)NC(=O)C(=N2)C(=C(C3=CC=CC=C3)O)C(=O)C4=CC=CC=C4","GKCKJPWFKCYGPI-XUTLUUPISA-N",135436337,NA,"PDBC21401","720405","Present",NA,NA
+"21402","3-[(E)-10-[2,3-Bis[[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxy]propoxy]-10-oxodec-1-enyl]-6-butylcyclohex-4-ene-1,2-dicarboxylic acid;2-(hydroxymethylamino)ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-10-[2,3-Bis[[(9E,11E,13E)-octadeca-9,11,13-trienoyl]oxy]propoxy]-10-oxodec-1-enyl]-6-butylcyclohex-4-ene-1,2-dicarboxylic acid;2-(hydroxymethylamino)ethanol",NA,"CCCCC=CC=CC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CC1C=CC(C(C1C(=O)O)C(=O)O)CCCC)OC(=O)CCCCCCCC=CC=CC=CCCCC.C(CO)NCO","ZRNYCHOVVQRSAQ-CVTIAKRSSA-N",5351397,NA,"PDBC21402","643834","Present",NA,NA
+"21403","3-[(E)-2-(2-Hydroxynaphthalen-1-yl)ethenyl]-7-(3-nitrophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-2-(2-Hydroxynaphthalen-1-yl)ethenyl]-7-(3-nitrophenyl)-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC3=NN=C4N(C3=O)N=C(S4)C5=CC(=CC=C5)[N+](=O)[O-])O","URELOGFXMSCVTQ-MDZDMXLPSA-N",135415166,NA,"PDBC21403","710592","Present",NA,NA
+"21404","3-[(E)-2-Nitrovinyl]-1-[12-[3-[(E)-2-nitrovinyl]indol-1-yl]dodecyl]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-2-Nitrovinyl]-1-[12-[3-[(E)-2-nitrovinyl]indol-1-yl]dodecyl]indole",NA,"C1=CC=C2C(=C1)C(=CN2CCCCCCCCCCCCN3C=C(C4=CC=CC=C43)C=C[N+](=O)[O-])C=C[N+](=O)[O-]","BAZKSHGYXFPJBS-BLVCXSLXSA-N",5468323,NA,"PDBC21404","668604","Present",NA,NA
+"21405","3-[(E)-2-Nitrovinyl]-1-[5-[3-[(E)-2-nitrovinyl]indol-1-yl]pentyl]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-2-Nitrovinyl]-1-[5-[3-[(E)-2-nitrovinyl]indol-1-yl]pentyl]indole",NA,"C1=CC=C2C(=C1)C(=CN2CCCCCN3C=C(C4=CC=CC=C43)C=C[N+](=O)[O-])C=C[N+](=O)[O-]","RSEJSRZLMAOVDT-UNZYHPAISA-N",5468322,NA,"PDBC21405","668603","Present",NA,NA
+"21406","3-[(E)-2-Nitrovinyl]-1-[8-[3-[(E)-2-nitrovinyl]indol-1-yl]octyl]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-2-Nitrovinyl]-1-[8-[3-[(E)-2-nitrovinyl]indol-1-yl]octyl]indole",NA,"C1=CC=C2C(=C1)C(=CN2CCCCCCCCN3C=C(C4=CC=CC=C43)C=C[N+](=O)[O-])C=C[N+](=O)[O-]","AOHDCEYPGMZIKQ-MXWIWYRXSA-N",5468067,NA,"PDBC21406","663664","Present",NA,NA
+"21407","3-[(E)-2-Oxo-4-phenyl-but-3-enyl]-3H-isobenzofuran-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-2-Oxo-4-phenyl-but-3-enyl]-3H-isobenzofuran-1-one",NA,"C1=CC=C(C=C1)C=CC(=O)CC2C3=CC=CC=C3C(=O)O2","GCADJBKSCWJYIR-ZHACJKMWSA-N",5912537,NA,"PDBC21407","642646","Present",NA,NA
+"21408","3-[(E)-2-Phenylethenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-2-Phenylethenyl]benzoic acid",NA,"C1=CC=C(C=C1)C=CC2=CC(=CC=C2)C(=O)O","RHKYEHRKNBWIDK-MDZDMXLPSA-N",5964452,NA,"PDBC21408","337827","Present",NA,NA
+"21409","3-[(E)-3-(2-Methoxyethoxymethoxy)oct-1-enyl]cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-3-(2-Methoxyethoxymethoxy)oct-1-enyl]cyclopentanone",NA,"CCCCCC(C=CC1CCC(=O)C1)OCOCCOC","VDBNQKHFGVJZKY-CSKARUKUSA-N",5469507,NA,"PDBC21409","689226","Present",NA,NA
+"21410","3-[(E)-3-(3,4-Diacetoxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3,4-Diacetoxy-phenyl)-acrylic acid 3-[(E)-3-(3,4-diacetoxy-phenyl)-acryloyloxy]-propyl ester",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OCCCOC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","WUMADTZQXQCLTE-QHKWOANTSA-N",5470290,NA,"PDBC21410","699165","Present",NA,NA
+"21411","3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxypropyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate",NA,"C1=CC(=C(C=C1C=CC(=O)OCCCOC(=O)C=CC2=CC(=C(C=C2)O)O)O)O","QUBPJJHCAOTXEB-KBXRYBNXSA-N",5470295,NA,"PDBC21411","699170","Present",NA,NA
+"21412","3-[(E)-3-(4-Chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-3-(4-Chlorophenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one",NA,"C1=CC=C2C(=C1)C=C(C(=O)N2)C=CC(=O)C3=CC=C(C=C3)Cl","XFEDKGSRDSZTRG-JXMROGBWSA-N",34903515,NA,"PDBC21412","752191","Present",NA,NA
+"21413","3-[(E)-3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]-1H-quinolin-2-one",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC3=CC=CC=C3NC2=O","WJDJGOPDWCIUCV-DHZHZOJOSA-N",34903560,NA,"PDBC21413","752192","Present",NA,NA
+"21414","3-[(E)-3-Phenylprop-2-enoyl]-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-3-Phenylprop-2-enoyl]-1H-quinolin-4-one",NA,"C1=CC=C(C=C1)C=CC(=O)C2=CNC3=CC=CC=C3C2=O","DCVGTFPDLUPFRQ-ZHACJKMWSA-N",5356645,NA,"PDBC21414","63998","Present",NA,NA
+"21415","3-[(E)-3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]prop-1-enyl]aniline;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]prop-1-enyl]aniline;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC=CC4=CC(=CC=C4)N.C(=CC(=O)O)C(=O)O","VMTWYUJIVNCPMU-AJOUBPDISA-N",54603736,NA,"PDBC21415","707828","Present",NA,NA
+"21416","3-[(E)-4-(1,3-Benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-pyrido[2,3-b]pyrazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-4-(1,3-Benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-pyrido[2,3-b]pyrazin-2-one",NA,"C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC3=NC4=C(C=CC=N4)NC3=O","HROOUURCHFOUSE-HWKANZROSA-N",5471501,NA,"PDBC21416","711797","Present",NA,NA
+"21417","3-[(E)-4-(1,3-Benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-4-(1,3-Benzodioxol-5-yl)-2-oxobut-3-enyl]-1H-quinoxalin-2-one",NA,"C1OC2=C(O1)C=C(C=C2)C=CC(=O)CC3=NC4=CC=CC=C4NC3=O","IGIYSIDROLFIRI-FNORWQNLSA-N",5471500,NA,"PDBC21417","711796","Present",NA,NA
+"21418","3-[(E)-Carbazol-9-yliminomethyl]-4,5-dihydroxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-Carbazol-9-yliminomethyl]-4,5-dihydroxybenzaldehyde",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3N2N=CC4=C(C(=CC(=C4)C=O)O)O","DQRJHMWQZDAXNI-SRZZPIQSSA-N",135436315,NA,"PDBC21418","718154","Present",NA,NA
+"21419","3-[(E)-Carbazol-9-yliminomethyl]-4-hydroxy-5-methoxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-Carbazol-9-yliminomethyl]-4-hydroxy-5-methoxybenzaldehyde",NA,"COC1=CC(=CC(=C1O)C=NN2C3=CC=CC=C3C4=CC=CC=C42)C=O","KIKPQMZIAKJFFJ-WSDLNYQXSA-N",135436314,NA,"PDBC21419","718153","Present",NA,NA
+"21420","3-[(E)-Hex-1-enyl]-2-(p-tolylsulfonyl)-3,4-dihydro-1H-isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-Hexenyl)-2-((4-methylphenyl)sulfonyl)-1,2,3,4-tetrahydroisoquinoline",NA,"CCCCC=CC1CC2=CC=CC=C2CN1S(=O)(=O)C3=CC=C(C=C3)C","LJHPNCDMTWAWSV-IZZDOVSWSA-N",5467212,NA,"PDBC21420","648557","Present",NA,NA
+"21421","3-[(E)-Hydroxyiminomethyl]-2,3-dihydrochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-Hydroxyiminomethyl]-2,3-dihydrochromen-4-one",NA,"C1C(C(=O)C2=CC=CC=C2O1)C=NO","PPZNTUXBLVDDKW-VZUCSPMQSA-N",9569785,NA,"PDBC21421","618064","Present",NA,NA
+"21422","3-[(E)-N-[(4-Amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)amino]-C-methylcarbonimidoyl]-4-hydroxy-6-methylpyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-N-[(4-Amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)amino]-C-methylcarbonimidoyl]-4-hydroxy-6-methylpyran-2-one",NA,"CC1=CC(=C(C(=O)O1)C(=NNC2=NNC(=S)N2N)C)O","ANCIESRAROQVOH-LFYBBSHMSA-N",135455597,NA,"PDBC21422","618493","Present",NA,NA
+"21423","3-[(E)-[(3S,8R,10R,13S)-10,13-Dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino]oxypropanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-[(3S,8R,10R,13S)-10,13-Dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino]oxypropanenitrile",NA,"CC12CCC3C(C1CCC2=NOCCC#N)CC=C4C3(CCC(C4)OC5CCCCO5)C","WIZOEYDUOXKTRB-HRTJURLTSA-N",9569955,NA,"PDBC21423","629224","Present",NA,NA
+"21424","3-[(E)-[(4-Nitrophenyl)hydrazinylidene]methyl]-1H-benzo[g]quinoxaline-2,5,10-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]quinoxaline-2-carboxaldehyde, 3,4,5,10-tetrahydr...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C(C(=O)N3)C=NNC4=CC=C(C=C4)[N+](=O)[O-]","GBSGQXXEUNAOIN-AWQFTUOYSA-N",135436193,NA,"PDBC21424","713198","Present",NA,NA
+"21425","3-[(E)-[(4Z,5Z)-3-Phenyl-4,5-bis(phenylimino)-2-thioxo-imidazolidin-1-yl]iminomethyl]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-[(4Z,5Z)-3-Phenyl-4,5-bis(phenylimino)-2-thioxo-imidazolidin-1-yl]iminomethyl]chromen-2-one",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=S)N2C4=CC=CC=C4)N=CC5=CC6=CC=CC=C6OC5=O","FSDBHZYYZJONEK-PYTNSIDASA-N",9556177,NA,"PDBC21425","671408","Present",NA,NA
+"21426","3-[(E)-[[4-[(2E)-2-[(3-Hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-[[4-[(2E)-2-[(3-Hydroxyphenyl)methylidene]hydrazinyl]phthalazin-1-yl]hydrazinylidene]methyl]phenol",NA,"C1=CC=C2C(=C1)C(=NN=C2NN=CC3=CC(=CC=C3)O)NN=CC4=CC(=CC=C4)O","GWXOMCKJFPEHFY-RNIAWFEPSA-N",9568401,NA,"PDBC21426","103832","Present",NA,NA
+"21427","3-[(E)-p-Tolylmethyleneamino]-1H-quinazoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-p-Tolylmethyleneamino]-1H-quinazoline-2,4-dione",NA,"CC1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O","JQEXXPUOZCCDLF-LICLKQGHSA-N",9556313,NA,"PDBC21427","691077","Present",NA,NA
+"21428","3-[(N,6-Dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(N,N-Dimethylamino)-1-propyl]-5,6-dihydro-2,3-dimetho...",NA,"CN(C)CCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5","UYIMRGCQWUTROS-UHFFFAOYSA-N",11270518,NA,"PDBC21428","724058","Present",NA,NA
+"21429","3-[(Piperidin-1-yl)methyl]benzoic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC19496",NA,"C1CCN(CC1)CC2=CC(=CC=C2)C(=O)O.Cl","WLRKCNCUWGKDNO-UHFFFAOYSA-N",24229492,NA,"PDBC21429","19496","Present",NA,NA
+"21430","3-[(Quinuclidin-3-ylamino)methyl]-4,3-f]indole-5,10-dione dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(quinuclidin-3-ylamino)methyl]-4,11-dihydroxy-1H-naph...",NA,"C1CN2CCC1C(C2)NCC3=CNC4=C3C(=O)C5=C(C6=CC=CC=C6C(=C5C4=O)O)O.Cl","OANUVULXNYOQFP-UHFFFAOYSA-N",135585403,NA,"PDBC21430","726446","Present",NA,NA
+"21431","3-[(S)-Hydroxy(phenyl)methyl]-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(S)-Hydroxy(phenyl)methyl]-7a-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one",NA,"C1CC2(N(C1=O)C(CO2)C(C3=CC=CC=C3)O)C4=CC=CC=C4","GTDYMQIQQZTEQW-AVAKVYKDSA-N",359368,NA,"PDBC21431","620179","Present",NA,NA
+"21432","3-[(Tert-Butyldimethylsilyl)oxy]-4-methoxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RYTUEPCRTPXDLU-UHFFFAOYSA-N",NA,"CC(C)(C)[Si](C)(C)OC1=C(C=CC(=C1)C=O)OC","RYTUEPCRTPXDLU-UHFFFAOYSA-N",359558,NA,"PDBC21432","620549","Present",NA,NA
+"21433","3-[(Tert-Butyloxycarbonyl)amino]-7,9-dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Tert-Butyloxycarbonyl)amino]-7,9-dibromo-1-oxaspiro[4.5]deca-6,9-diene-2,8-dione",NA,"CC(C)(C)OC(=O)NC1CC2(C=C(C(=O)C(=C2)Br)Br)OC1=O","HTXPBSNVLNKUBS-UHFFFAOYSA-N",397416,NA,"PDBC21433","705162","Present",NA,NA
+"21434","3-[(Trifluoromethylsulfonyl)thio]propionic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-{[(trifluoromethyl)sulfonyl]sulfanyl}propanoate",NA,"CCOC(=O)CCSS(=O)(=O)C(F)(F)F","JAGZFIHHGJGTKQ-UHFFFAOYSA-N",396181,NA,"PDBC21434","701729","Present",NA,NA
+"21435","3-[(Z)-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-1-[2-[[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]carbamothioyl-methylamino]ethyl]-1-methylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Z)-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]-1-[2-[[(Z)-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]carbamothioyl-methylamino]ethyl]-1-methylthiourea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)N(C)CCN(C)C(=S)NN=CC3=C(N(N(C3=O)C4=CC=CC=C4)C)C","NVJNNGBKAQCYLF-CDSIFPFTSA-N",5859375,NA,"PDBC21435","701207","Present",NA,NA
+"21436","3-[(Z)-(3-Benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Z)-(3-Benzyl-4-phenyl-1,3-thiazol-2-ylidene)amino]-2,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide",NA,"CC1=C(SC2=C1C(=O)N(C(=N2)C)N=C3N(C(=CS3)C4=CC=CC=C4)CC5=CC=CC=C5)C(=O)N","KZVARHNNGCOEGO-FVDSYPCUSA-N",45029420,NA,"PDBC21436","746754","Present",NA,NA
+"21437","3-[(Z)-1-Cyclopropylethylideneamino]oxypropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Z)-1-Cyclopropylethylideneamino]oxypropanoic acid",NA,"CC(=NOCCC(=O)O)C1CC1","TVKWPRUURFJJGD-TWGQIWQCSA-N",5915546,NA,"PDBC21437","651220","Present",NA,NA
+"21438","3-[(Z)-1-Pyrazin-2-ylethylideneamino]-1,1-bis(2-pyridylmethyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Z)-1-Pyrazin-2-ylethylideneamino]-1,1-bis(2-pyridylmethyl)thiourea",NA,"CC(=NNC(=S)N(CC1=CC=CC=N1)CC2=CC=CC=N2)C3=NC=CN=C3","OHUPQINJOLRADC-IWIPYMOSSA-N",5889737,NA,"PDBC21438","689537","Present",NA,NA
+"21439","3-[(Z)-2-(3,4,5-Trimethoxyphenyl)ethenyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)3-[2[(3,4,5-Trimethoxyphenyl)ethenyl]pyridine",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CN=CC=C2","XTJNJMOYKKLUOV-SREVYHEPSA-N",5388742,NA,"PDBC21439","638393","Present",NA,NA
+"21440","3-[(Z)-3-(2-Carboxyethylsulfanyl)-1,3-bis(4-chlorophenyl)prop-2-enyl]sulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Z)-3-(2-Carboxyethylsulfanyl)-1,3-bis(4-chlorophenyl)prop-2-enyl]sulfanylpropanoic acid",NA,"C1=CC(=CC=C1C(C=C(C2=CC=C(C=C2)Cl)SCCC(=O)O)SCCC(=O)O)Cl","OJYDPBHWSAILKI-UYRXBGFRSA-N",5472290,NA,"PDBC21440","717772","Present",NA,NA
+"21441","3-[(Z)-4-Methoxybenzylidene]oxolane-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Z)-4-Methoxybenzylidene]oxolane-2-one",NA,"COC1=CC=C(C=C1)C=C2CCOC2=O","MBSKMEQHKIKWQZ-NTMALXAHSA-N",762416,NA,"PDBC21441","10428","Present",NA,NA
+"21442","3-[(Z)-5-Bromo-3-(bromomethyl)pent-3-enyl]-2,2-dimethyloxirane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Z)-5-Bromo-3-(bromomethyl)pent-3-enyl]-2,2-dimethyloxirane",NA,"CC1(C(O1)CCC(=CCBr)CBr)C","PEOXLDQLIRPCLU-YVMONPNESA-N",5468471,NA,"PDBC21442","670794","Present",NA,NA
+"21443","3-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenol",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC(=CC=C2)O)N","GDCWHEAGMPCDLI-UPHRSURJSA-N",45028776,NA,"PDBC21443","744164","Present",NA,NA
+"21444","3-[(Z)-[1-(3,4,5-Trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indol...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=C(NC4=CC=CC=C43)O)C=C5C2=NC6=CC=CC=C65","SKJVTFAYFPPFPN-ICFOKQHNSA-N",155808310,NA,"PDBC21444","761816","Present",NA,NA
+"21445","3-[(Z)-[1-(3,5-Dimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-5-methoxy-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b]indol-3-...",NA,"COC1=CC2=C(C=C1)NC(=C2C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC(=CC(=C6)OC)OC)O","BSCZLQXCWOKETA-LGMDPLHJSA-N",155813091,NA,"PDBC21445","761832","Present",NA,NA
+"21446","3-[(Z)-[1-(4-Fluorophenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-5-methoxy-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((1-(4-fluorophenyl)-9H-pyrido[3,4-b]indol-3-yl)me...",NA,"COC1=CC2=C(C=C1)NC(=C2C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC=C(C=C6)F)O","MNCCKMQUTIOUPA-LGMDPLHJSA-N",155811201,NA,"PDBC21446","761822","Present",NA,NA
+"21447","3-[(Z)-[1-(4-Methoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((1-(4-methoxyphenyl)-9H-pyrido[3,4-b]indol-3-yl)m...",NA,"COC1=CC=C(C=C1)C2=NC(=CC3=C(NC4=CC=CC=C43)O)C=C5C2=NC6=CC=CC=C65","PKODVOHQXXGHJV-ICFOKQHNSA-N",155810040,NA,"PDBC21447","761824","Present",NA,NA
+"21448","3-[(Z)-[1-[4-(Trifluoromethyl)phenyl]pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((1-(4-(trifluoromethyl)phenyl)-9H-pyrido[3,4-b]in...",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC=C(C=C6)C(F)(F)F","XOWNYVGAKNFBTN-VKAVYKQESA-N",155808316,NA,"PDBC21448","761820","Present",NA,NA
+"21449","3-[(Z)-[2-(3,5-Difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((2-(3,5-difluorophenyl)-3H-benzo[d]imidazol-5-yl)...",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C=C3C=CC4=NC(=NC4=C3)C5=CC(=CC(=C5)F)F","BINLOCIRCMPDJM-GHXNOFRVSA-N",155805116,NA,"PDBC21449","763618","Present",NA,NA
+"21450","3-[(Z)-[2-(4-Fluorophenyl)benzimidazol-5-ylidene]methyl]-5-methoxy-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((2-(4-fluorophenyl)-3H-benzo[d]imidazol-5-yl)meth...",NA,"COC1=CC2=C(C=C1)NC(=C2C=C3C=CC4=NC(=NC4=C3)C5=CC=C(C=C5)F)O","KVRYKUABQGZXSC-RAXLEYEMSA-N",155805099,NA,"PDBC21450","763617","Present",NA,NA
+"21451","3-[(Z)-[2-[4-(Trifluoromethyl)phenyl]benzimidazol-5-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((2-(4-(trifluoromethyl)phenyl)-3H-benzo[d]imidazo...",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C=C3C=CC4=NC(=NC4=C3)C5=CC=C(C=C5)C(F)(F)F","JRIQRUWZYJIVOI-QBFSEMIESA-N",155814532,NA,"PDBC21451","763621","Present",NA,NA
+"21452","3-[(Z)-[5-Chloro-1-(morpholinomethyl)-2-oxo-indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Z)-[5-Chloro-1-(morpholin-4-ylmethyl)-2-oxoindol-3-ylidene]amino]-2-methylsulfanylquinazolin-4-one",NA,"CSC1=NC2=CC=CC=C2C(=O)N1N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCOCC5","PGASGTXWCBXNQD-PLRJNAJWSA-N",9572279,NA,"PDBC21452","710110","Present",NA,NA
+"21453","3-[(Z)-[5-Chloro-2-oxo-1-(1-piperidylmethyl)indolin-3-ylidene]amino]-2-methylsulfanyl-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(Z)-[5-Chloro-2-oxo-1-(piperidin-1-ylmethyl)indol-3-ylidene]amino]-2-methylsulfanylquinazolin-4-one",NA,"CSC1=NC2=CC=CC=C2C(=O)N1N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCCCC5","IZSYFVAQBLEMGR-QOMWVZHYSA-N",9572278,NA,"PDBC21453","710109","Present",NA,NA
+"21454","3-[(p-Methoxyphenyl)-thiosemicarbazono]-2-indolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(p-Methoxyphenyl)-thiosemicarbazono]-2-indolinone",NA,"COC1=CC=C(C=C1)NC(=S)N=NC2=C(NC3=CC=CC=C32)O","RRCQAXBOKBNIDS-UHFFFAOYSA-N",947057,NA,"PDBC21454","73306","Present",NA,NA
+"21455","3-[1,2-Bis(4-methoxyphenyl)-2-oxo-ethyl]-3-hydroxy-5-nitro-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1,2-Bis(4-methoxyphenyl)-2-oxo-ethyl]-3-hydroxy-5-nitro-indolin-2-one",NA,"COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C3(C4=C(C=CC(=C4)[N+](=O)[O-])NC3=O)O","DQILQAFCZDCXKQ-UHFFFAOYSA-N",366650,NA,"PDBC21455","635325","Present",NA,NA
+"21456","3-[1,2-Bis(4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1,2-Bis(4-methoxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one",NA,"COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C3(C4=CC=CC=C4NC3=O)O","GCTODLXJJIVTIV-UHFFFAOYSA-N",359719,NA,"PDBC21456","621164","Present",NA,NA
+"21457","3-[1,3-Bis(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1,3-Bis(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one",NA,"COC1=C(C=C(C=C1)C(CC(=O)C2=CC(=C(C=C2)OC)OC)C3=C(C4=CC=CC=C4OC3=O)O)OC","WYNPOGCJWWRIPU-UHFFFAOYSA-N",54680477,NA,"PDBC21457","208767","Present",NA,NA
+"21458","3-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl-N-(4-chlorophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl-N-(4-chlorophenyl)propanamide",NA,"C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)SCCC(=O)NC3=CC=C(C=C3)Cl)Cl","ZBCUECKEOGVDSP-UHFFFAOYSA-N",403132,NA,"PDBC21458","717769","Present",NA,NA
+"21459","3-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{[1,3-Bis(4-chlorophenyl)-3-oxopropyl]sulfanyl}propanamide",NA,"C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)SCCC(=O)N)Cl","QKWABMPJCWMHRK-UHFFFAOYSA-N",403131,NA,"PDBC21459","717768","Present",NA,NA
+"21460","3-[1,3-Bis(naphthalen-2-ylmethyl)benzimidazol-3-ium-2-yl]propan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-hydroxypropyl)-1,3-bis(naphthalen-2-ylmethyl)benzim...",NA,"C1=CC=C2C=C(C=CC2=C1)CN3C4=CC=CC=C4[N+](=C3CCCO)CC5=CC6=CC=CC=C6C=C5","FCDCTEIUYSGPEH-UHFFFAOYSA-N",134151781,NA,"PDBC21460","790462","Present",NA,NA
+"21461","3-[1,4-Dihydroxy-3-(4-hydroxy-6-methyl-1-oxo-2H-isoquinolin-3-yl)naphthalen-2-yl]-6-methylisoquinoline-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-bis(1,4-dihydroxy-6-methylisoquinolin-3-yl)naphthale...",NA,"CC1=CC2=C(C=C1)C(=O)NC(=C2O)C3=C(C4=CC=CC=C4C(=C3C5=NC(=O)C6=C(C5=O)C=C(C=C6)C)O)O","NUARPWLRPJRQDD-UHFFFAOYSA-N",155812513,NA,"PDBC21461","797538","Present",NA,NA
+"21462","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-phenylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-phenylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,"C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6","ATBZTJLBWDORJQ-BUHFOSPRSA-N",5470706,NA,"PDBC21462","704634","Present",NA,NA
+"21463","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-thiophen-2-ylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(E)-2-thiophen-2-ylethenyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,"C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CS6","AWPPQDWOZLAEGU-ZHACJKMWSA-N",5470712,NA,"PDBC21463","704640","Present",NA,NA
+"21464","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-chlorophenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,"C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6Cl","YHXJVMSHLXOLLX-OUKQBFOZSA-N",5470711,NA,"PDBC21464","704639","Present",NA,NA
+"21465","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-hydroxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-hydroxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,"C1C(=NN(C12C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6O","FVDDWMROGCYDMW-OUKQBFOZSA-N",135505201,NA,"PDBC21465","704635","Present",NA,NA
+"21466","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(2-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,"COC1=CC=CC=C1C=CC2=NN(C3(C2)C(C(=O)N3C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)S(=O)(=O)O","CXIMSPYJZINYEJ-BUHFOSPRSA-N",5470710,NA,"PDBC21466","704638","Present",NA,NA
+"21467","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,"COC1=C(C=CC(=C1)C=CC2=NN(C3(C2)C(C(=O)N3C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)S(=O)(=O)O)O","OOARVPSBWMYCHB-PKNBQFBNSA-N",135505202,NA,"PDBC21467","704636","Present",NA,NA
+"21468","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,"CCN(CC)C1=CC=C(C=C1)C=CC2=NN(C3(C2)C(C(=O)N3C4=NC5=CC=CC=C5S4)Cl)C6=CC(=CC=C6)S(=O)(=O)O","GJRHITRDRUDSJP-NTCAYCPXSA-N",5470709,NA,"PDBC21468","704637","Present",NA,NA
+"21469","3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,"CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O","ZJNZSDXKKPDZMW-UHFFFAOYSA-N",397240,NA,"PDBC21469","704657","Present",NA,NA
+"21470","3-[1-(3,4-Dichlorophenyl)-2,5-dimethylpyrrol-3-yl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-6...",NA,"CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C3=NN=C4N3CCCCC4","XPTYTHZOTIZQJV-UHFFFAOYSA-N",71307857,NA,"PDBC21470","767063","Present",NA,NA
+"21471","3-[1-(3,4-Dimethoxyphenyl)-3-oxo-butyl]-4-hydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(3,4-Dimethoxyphenyl)-3-oxo-butyl]-4-hydroxy-chromen-2-one",NA,"CC(=O)CC(C1=CC(=C(C=C1)OC)OC)C2=C(C3=CC=CC=C3OC2=O)O","AAMIVUBVHCMYOS-UHFFFAOYSA-N",54680481,NA,"PDBC21471","219891","Present",NA,NA
+"21472","3-[1-(4-Chloro-2-nitro-phenyl)pyrrol-2-yl]-4-methyl-1H-pyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(4-Chloro-2-nitro-phenyl)pyrrol-2-yl]-4-methyl-1H-pyrrole-2-carboxylic acid",NA,"CC1=CNC(=C1C2=CC=CN2C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)O","PEILFELNUZCKAY-UHFFFAOYSA-N",390186,NA,"PDBC21472","687347","Present",NA,NA
+"21473","3-[1-(4-Chloro-5-methyl-2-propylsulfanylphenyl)sulfonylimidazol-2-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(4-Chloro-5-methyl-2-propylsulfanylphenyl)sulfonylimidazol-2-yl]oxy-N,N-dimethylpropan-1-amine;hydrochloride",NA,"CCCSC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)N2C=CN=C2OCCCN(C)C.Cl","VSXWTIGDKZZZAG-UHFFFAOYSA-N",387408,NA,"PDBC21473","681158","Present",NA,NA
+"21474","3-[1-(4-Chloro-phenyl)-2-nitro-ethyl]-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(4-Chloro-phenyl)-2-nitro-ethyl]-3,3a,6-trihydroxy-tetrahydro-furo[3,2-b]furan-2-one",NA,"C1C(C2C(O1)(C(C(=O)O2)(C(C[N+](=O)[O-])C3=CC=C(C=C3)Cl)O)O)O","QMKFYBFLRUQGKY-UHFFFAOYSA-N",375573,NA,"PDBC21474","655360","Present",NA,NA
+"21475","3-[1-(4-Chloroanilino)ethylidene]dihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(3H)-Furanone, dihydro-3-[1-[(4-chlorophenyl)amino] eth...",NA,"CC(=C1CCOC1=O)NC2=CC=C(C=C2)Cl","LMTZKNFOUSGOPO-DHZHZOJOSA-N",820318,NA,"PDBC21475","680781","Present",NA,NA
+"21476","3-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-1-[(4-methylphenyl)sulfonyl]-4(1H)-quinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(4-Chloro-phenyl)-1H-tetrazol-5-yl]-1-(toluene-4-su...",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=O)C3=CC=CC=C32)C4=NN=NN4C5=CC=C(C=C5)Cl","YUOGBFSACXTTQC-UHFFFAOYSA-N",1210235,NA,"PDBC21476","735172","Present",NA,NA
+"21477","3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-(4-fluorophenyl)-1H-1,2,4-triazole-5-thione",NA,"C1=CC(=CC=C1N2C(=NNC2=S)C3=NN(C=C3O)C4=CC=C(C=C4)Cl)F","CTKFLBHGJICZDI-UHFFFAOYSA-N",3006483,NA,"PDBC21477","725025","Present",NA,NA
+"21478","3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione",NA,"C1CCC(CC1)N2C(=NNC2=S)C3=NN(C=C3O)C4=CC=C(C=C4)Cl","FXJLBRYUEUROOC-UHFFFAOYSA-N",3006484,NA,"PDBC21478","725024","Present",NA,NA
+"21479","3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-4-phenyl-1H-1,2,4-triazole-5-thione",NA,"C1=CC=C(C=C1)N2C(=NNC2=S)C3=NN(C=C3O)C4=CC=C(C=C4)Cl","CEINKXAFWDLUCW-UHFFFAOYSA-N",3006482,NA,"PDBC21479","724040","Present",NA,NA
+"21480","3-[1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)ethoxy]-N,N-dimethylpropan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(6-Decoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)ethoxy]-N,N-dimethylpropan-1-amine",NA,"CCCCCCCCCCOC1C2C(OC1C(C)OCCCN(C)C)OC3(O2)CCCCC3","TWXQPKNAFFNJQA-UHFFFAOYSA-N",380659,NA,"PDBC21480","666347","Present",NA,NA
+"21481","3-[1-(Dimethylcarbamoylamino)ethyl]-1,1-dimethyl-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(Dimethylcarbamoylamino)ethyl]-1,1-dimethyl-urea",NA,"CC(NC(=O)N(C)C)NC(=O)N(C)C","QBZCYTODRQVAFO-UHFFFAOYSA-N",377600,NA,"PDBC21481","659175","Present",NA,NA
+"21482","3-[1-Hydroxy-2-[hydroxy(pyridin-4-yl)methyl]-2,3-dihydroinden-1-yl]-2-(pyridine-4-carbonyl)-2,3-dihydroinden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-Hydroxy-2-[hydroxy(pyridin-4-yl)methyl]-2,3-dihydroinden-1-yl]-2-(pyridine-4-carbonyl)-2,3-dihydroinden-1-one",NA,"C1C(C(C2=CC=CC=C21)(C3C(C(=O)C4=CC=CC=C34)C(=O)C5=CC=NC=C5)O)C(C6=CC=NC=C6)O","DPCWJOJSRMXKQG-UHFFFAOYSA-N",400516,NA,"PDBC21482","712420","Present",NA,NA
+"21483","3-[1-Hydroxy-2-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroinden-1-yl]-2-(3,4,5-trimethoxybenzoyl)-2,3-dihydroinden-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-Hydroxy-2-[hydroxy-(3,4,5-trimethoxyphenyl)methyl]-2,3-dihydroinden-1-yl]-2-(3,4,5-trimethoxybenzoyl)-2,3-dihydroinden-1-one",NA,"COC1=CC(=CC(=C1OC)OC)C(C2CC3=CC=CC=C3C2(C4C(C(=O)C5=CC=CC=C45)C(=O)C6=CC(=C(C(=C6)OC)OC)OC)O)O","FGYUHJQJARLYJJ-UHFFFAOYSA-N",400515,NA,"PDBC21483","712419","Present",NA,NA
+"21484","3-[1-[(2,4-Dichlorophenyl)amino]ethylidene]dihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-[(2,4-Dichlorophenyl)amino]ethylidene]dihydro-2(3H)-furanone",NA,"CC(=C1CCOC1=O)NC2=C(C=C(C=C2)Cl)Cl","MXIUMRSQRMEWCW-VQHVLOKHSA-N",5468991,NA,"PDBC21484","680783","Present",NA,NA
+"21485","3-[1-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanyl]-2-methyl-propyl]-4-phenyl-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanyl]-2-methyl-propyl]-4-phenyl-1H-1,2,4-triazole-5-thione",NA,"CC(C)C(C1=NNC(=S)N1C2=CC=CC=C2)SC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5","RDHPZJKDACQRHG-UHFFFAOYSA-N",3004408,NA,"PDBC21485","650820","Present",NA,NA
+"21486","3-[10-(3-Cyanophenyl)-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Ethenobenzo[1,2-c:4,5-c']dipyrrole-1,3,5,7-tetrone, ...",NA,"C1=CC(=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)C6=CC=CC(=C6)C#N)C#N","GZQWFNJRACDGTN-UHFFFAOYSA-N",365552,NA,"PDBC21486","633258","Present",NA,NA
+"21487","3-[18-[3-(Diethylamino)-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N,N-diethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[18-[3-(Diethylamino)-3-oxopropyl]-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]-N,N-diethylpropanamide",NA,"CCN(CC)C(=O)CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=CC5=NC(=CC1=N2)C(=C5C)CCC(=O)N(CC)CC)N4)C=C)C)C=C)C)C","YJZALEOHGPXZIN-UHFFFAOYSA-N",359506,NA,"PDBC21487","620487","Present",NA,NA
+"21488","3-[2,4-Bis(sulfanylidene)-1,3-thiazolidin-3-yl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,4-Dithioxo-1,3-thiazolidin-3-yl)propanoic acid",NA,"C1C(=S)N(C(=S)S1)CCC(=O)O","ROONOSCQTGQBKL-UHFFFAOYSA-N",328964,NA,"PDBC21488","309939","Present",NA,NA
+"21489","3-[2,5-Dioxo-1-(p-tolyl)pyrrol-3-yl]-4-hydroxy-1-(p-tolyl)pyrrole-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2,5-Dioxo-1-(p-tolyl)pyrrol-3-yl]-4-hydroxy-1-(p-tolyl)pyrrole-2,5-dione",NA,"CC1=CC=C(C=C1)N2C(=O)C=C(C2=O)C3=C(C(=O)N(C3=O)C4=CC=C(C=C4)C)O","VPWKCAQEGZVQHB-UHFFFAOYSA-N",54693746,NA,"PDBC21489","658410","Present",NA,NA
+"21490","3-[2-(1-Methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl-1H-pyrrolo[2,3-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-methyl...",NA,"CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CN(C5=C4C=CC=N5)C","HGOVNBKJYVOYMN-UHFFFAOYSA-N",60147980,NA,"PDBC21490","753377","Present",NA,NA
+"21491","3-[2-(1H-Indol-3-yl)-2-oxoethyl]-1H-pyrido[2,3-b]pyrazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(1h-Indol-3-yl)-2-oxoethyl]pyrido[2,3-b]pyrazin-2(1h)-one",NA,"C1=CC=C2C(=C1)C(=CN2)C(=O)CC3=NC4=C(C=CC=N4)NC3=O","CNRXBBCHWWSSKV-UHFFFAOYSA-N",400270,NA,"PDBC21491","711803","Present",NA,NA
+"21492","3-[2-(1H-Indol-3-yl)-2-oxoethyl]-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(1h-Indol-3-yl)-2-oxoethyl]quinoxalin-2(1h)-one",NA,"C1=CC=C2C(=C1)C(=CN2)C(=O)CC3=NC4=CC=CC=C4NC3=O","CCHNHZBCDADIRM-UHFFFAOYSA-N",400273,NA,"PDBC21492","711806","Present",NA,NA
+"21493","3-[2-(1H-Indol-3-yl)-5-methylpyrimidin-4-yl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(1H-Indol-3-yl)-5-methylpyrimidin-4-yl]-1H-indole",NA,"CC1=CN=C(N=C1C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","DHGJGPCKVFRWBR-UHFFFAOYSA-N",400430,NA,"PDBC21493","712009","Present",NA,NA
+"21494","3-[2-(1H-Indol-3-yl)-6-methoxypyrimidin-4-yl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(1H-Indol-3-yl)-6-methoxypyrimidin-4-yl]-1H-indole",NA,"COC1=NC(=NC(=C1)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","ATNGOLPXLVFEIW-UHFFFAOYSA-N",400428,NA,"PDBC21494","712007","Present",NA,NA
+"21495","3-[2-(1H-Indol-3-yl)pyrimidin-4-yl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(1H-Indol-3-yl)pyrimidin-4-yl]-1H-indole",NA,"C1=CC=C2C(=C1)C(=CN2)C3=NC(=NC=C3)C4=CNC5=CC=CC=C54","CTQUYZZQMOWNFM-UHFFFAOYSA-N",400432,NA,"PDBC21495","712011","Present",NA,NA
+"21496","3-[2-(2,4-Dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(2,4-Dihydroxyphenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=C(C=C(C=C3)O)O)O","IHONRQMKOPLXKS-UHFFFAOYSA-N",359732,NA,"PDBC21496","621178","Present",NA,NA
+"21497","3-[2-(2,4-Dimethylphenyl)-2-oxoethylidene]-4H-benzo[e]1,4-thiazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(2,4-Dimethylphenyl)-2-oxoethylidene]-4H-benzo[e]1,4-thiazin-2-one",NA,"CC1=CC(=C(C=C1)C(=CC2=NC3=CC=CC=C3SC2=O)O)C","WIDVVBMVSCUTAV-YBEGLDIGSA-N",135426822,NA,"PDBC21497","720442","Present",NA,NA
+"21498","3-[2-(2,4-Dinitrophenyl)hydrazinyl]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC4810",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","PLKSEHVSFQIVNZ-UHFFFAOYSA-N",3802861,NA,"PDBC21498","4810","Present",NA,NA
+"21499","3-[2-(2-Chloro-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(2-Chloro-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2Cl)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O","QSWJGZBNYAJQNF-UHFFFAOYSA-N",380745,NA,"PDBC21499","666452","Present",NA,NA
+"21500","3-[2-(2-Methylphenyl)hydrazinyl]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-848/32614027",NA,"CC1=CC=CC=C1N=NC2=C(NC3=CC=CC=C32)O","UBUKNDAQRIEDKX-UHFFFAOYSA-N",272588,NA,"PDBC21500","117191","Present",NA,NA
+"21501","3-[2-(2-Nitrophenyl)hydrazinyl]-4-(trifluoromethyl)indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(2-Nitrophenyl)hydrazinyl]-4-(trifluoromethyl)indol-2-one",NA,"C1=CC=C(C(=C1)N=NC2=C(NC3=CC=CC(=C32)C(F)(F)F)O)[N+](=O)[O-]","VDAXEPVFTJDWTH-UHFFFAOYSA-N",3347168,NA,"PDBC21501","117196","Present",NA,NA
+"21502","3-[2-(2-Nitrophenyl)hydrazinyl]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indole-2,3-dione, 3-[(o-nitrophenyl)hydrazone]",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=C3[N+](=O)[O-]","OTGYLXGBYVPFPM-UHFFFAOYSA-N",3734796,NA,"PDBC21502","111581","Present",NA,NA
+"21503","3-[2-(2-Oxo-2,9-dihydronaphtho [2,3-b]furan-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[ 2-(2-oxo-2,3 - dihydro-1H-3-indolyliden)acetyl]-4,9-...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC=C3C(=O)C=C4C5=CC=CC=C5NC4=O","QWHQHNJYMJVZCQ-ZROIWOOFSA-N",45028342,NA,"PDBC21503","742260","Present",NA,NA
+"21504","3-[2-(3,4,5-Trimethoxyphenyl)ethyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(3,4,5-Trimethoxyphenyl)ethyl]pyridine",NA,"COC1=CC(=CC(=C1OC)OC)CCC2=CN=CC=C2","PGWCTXIOXNEIGU-UHFFFAOYSA-N",368070,NA,"PDBC21504","638398","Present",NA,NA
+"21505","3-[2-(3,4-Dichlorophenyl)ethyl-(2-pyrrolidin-1-ylethyl)amino]propan-1-ol;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(3,4-Dichlorophenyl)ethyl-(2-pyrrolidin-1-ylethyl)amino]propan-1-ol hydrobromide",NA,"C1CCN(C1)CCN(CCCO)CCC2=CC(=C(C=C2)Cl)Cl.Br","SZIQBBQKSDVOCH-UHFFFAOYSA-N",398836,NA,"PDBC21505","708976","Present",NA,NA
+"21506","3-[2-(3,4-Dihydroxyphenyl)-3-(hydroxymethyl)-7-hydroxy-2,3-dihydrobenzofuran-5-yl]-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[7-Hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol",NA,"C1=CC(=C(C=C1C2C(C3=C(O2)C(=CC(=C3)CCCO)O)CO)O)O","MMWDINBTQPXVFL-UHFFFAOYSA-N",384752,NA,"PDBC21506","675005","Present",NA,NA
+"21507","3-[2-(3,4-Dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydrobenzofuran-5-yl]-1-propanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674909///NSC674910",NA,"COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)CCCO)OC)CO)OC","UVPCDEDIFJYIPT-UHFFFAOYSA-N",4639677,NA,"PDBC21507","674909///674910","Present",NA,NA
+"21508","3-[2-(3,4-Dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(3,4-Dimethoxyphenyl)ethyl]-3,6-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-3-ium-8-one;iodide",NA,"CC1=CC(=O)OC2=C1C=C3C[N+](COC3=C2)(C)CCC4=CC(=C(C=C4)OC)OC.[I-]","SIYVYRJKIPKXOS-UHFFFAOYSA-M",5351838,NA,"PDBC21508","59275","Present",NA,NA
+"21509","3-[2-(3,5-Dichloroanilino)-1,3-thiazol-4-yl]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[(3,5-Dichlorophenyl)amino]thiazol-4-yl]chromen-2-one",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC(=CC(=C4)Cl)Cl","RHNYEXMYEIYNIC-UHFFFAOYSA-N",395985,NA,"PDBC21509","701109","Present",NA,NA
+"21510","3-[2-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"C1=CC=C(C(=C1)C2=[N+](C3=CC=CC=C3[N+](=C2N)[O-])[O-])C4=[N+](C5=CC=CC=C5[N+](=C4N)[O-])[O-]","POXVBMPUZMASMV-UHFFFAOYSA-N",135496475,NA,"PDBC21510","621727","Present",NA,NA
+"21511","3-[2-(3-Carboxy-2-nitro-phenoxy)ethoxy]-2-nitro-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(3-Carboxy-2-nitro-phenoxy)ethoxy]-2-nitro-benzoic acid",NA,"C1=CC(=C(C(=C1)OCCOC2=CC=CC(=C2[N+](=O)[O-])C(=O)O)[N+](=O)[O-])C(=O)O","QCSFGGAFPLSXQV-UHFFFAOYSA-N",394574,NA,"PDBC21511","698143","Present",NA,NA
+"21512","3-[2-(3-Methylsulfonyloxypropylsulfanyl)ethylsulfanyl]propyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,12-Dioxido-11-oxa-4,7,12-trithiatridec-1-yl methanesulfonate",NA,"CS(=O)(=O)OCCCSCCSCCCOS(=O)(=O)C","JVFIUTHCNATAQW-UHFFFAOYSA-N",373736,NA,"PDBC21512","650635","Present",NA,NA
+"21513","3-[2-(4-Amino-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-Amino-phenyl)-4-oxo-thiazolidin-3-ylsulfamoyl]-benzoic acid",NA,"C1C(=O)N(C(S1)C2=CC=C(C=C2)N)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O","BTMWZWARGYILJN-UHFFFAOYSA-N",380744,NA,"PDBC21513","666451","Present",NA,NA
+"21514","3-[2-(4-Aminophenyl)-2-oxo-ethyl]-5,7-dichloro-3-hydroxy-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-Aminophenyl)-2-oxoethyl]-5,7-dichloro-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,"C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)N","ZIRWQNRDRRETNY-UHFFFAOYSA-N",366694,NA,"PDBC21514","635411","Present",NA,NA
+"21515","3-[2-(4-Bromophenyl)-2-oxo-ethyl]-3-hydroxy-5-nitro-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-Bromophenyl)-2-oxoethyl]-3-hydroxy-5-nitro-1,3-dihydro-2H-indol-2-one",NA,"C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O)Br","HOZIDHOMYAEFBN-UHFFFAOYSA-N",366686,NA,"PDBC21515","635403","Present",NA,NA
+"21516","3-[2-(4-Bromophenyl)-2-oxoethyl]-1,5,6,7,8,4a,8a-heptahydroquinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-Bromophenyl)-2-oxoethyl]-1,5,6,7,8,4a,8a-heptahydroquinoxalin-2-one",NA,"C1CCC2C(C1)NC(=O)C(=N2)CC(=O)C3=CC=C(C=C3)Br","YQAICNWNBGLRNI-UHFFFAOYSA-N",404247,NA,"PDBC21516","720425","Present",NA,NA
+"21517","3-[2-(4-Chlorophenyl)-2-oxoethylidene]-7-nitro-1,4-dihydroquinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-Chlorophenyl)-2-oxoethylidene]-7-nitro-1,4-dihydroquinoxalin-2-one",NA,"C1=CC(=CC=C1C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)Cl","YJQFRODPDALCGH-NVNXTCNLSA-N",135403091,NA,"PDBC21517","686136","Present",NA,NA
+"21518","3-[2-(4-Methoxyphenyl)ethyl]-1-methylquinazoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(4-Methoxyphenyl)ethyl)-1-methyl-2,4(1H,3H)-quinazolinedione",NA,"CN1C2=CC=CC=C2C(=O)N(C1=O)CCC3=CC=C(C=C3)OC","GXEHMSZCMANLPC-UHFFFAOYSA-N",371226,NA,"PDBC21518","645283","Present",NA,NA
+"21519","3-[2-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-Oxo-2-phenyl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-phenyl-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=CC=C7","JKXMUKJJIIIQFT-UHFFFAOYSA-N",398508,NA,"PDBC21519","708419","Present",NA,NA
+"21520","3-[2-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-thiophen-2-yl-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-thiophen-2-yl-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=CS2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C7=CC=CS7","MNZHIBLCDZOYRG-UHFFFAOYSA-N",398509,NA,"PDBC21520","708420","Present",NA,NA
+"21521","3-[2-(5-Bromo-1H-indol-3-yl)ethyl]-4-(3-propan-2-yloxyphenyl)pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-Bromo-1H-indol-3-yl)ethyl]-4-(3-propan-2-yloxyphenyl)pyrido[4,3-e][1,2,4]thiadiazine 1,1-dioxide",NA,"CC(C)OC1=CC=CC(=C1)N2C3=C(C=NC=C3)S(=O)(=O)N=C2CCC4=CNC5=C4C=C(C=C5)Br","XPLUFIRYEKVUHV-UHFFFAOYSA-N",401326,NA,"PDBC21521","714636","Present",NA,NA
+"21522","3-[2-(5-Chloro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-chloro-1-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]...",NA,"CN1C=C(C2=C1C=CC(=C2)Cl)C3=NC(=CS3)C4=CNC5=C4C=CC=N5","VBVHYCGEMNPAHV-UHFFFAOYSA-N",60147969,NA,"PDBC21522","753366","Present",NA,NA
+"21523","3-[2-(5-Chloro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-chloro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrro...",NA,"C1=CC2=C(NC=C2C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Cl)N=C1","YPGAKBKIFKBXHS-UHFFFAOYSA-N",136040140,NA,"PDBC21523","753368","Present",NA,NA
+"21524","3-[2-(5-Methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]-1H-pyrro...",NA,"CC1=CC2=C(C=C1)NC=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5","IDHALOVERFPNFI-UHFFFAOYSA-N",136040147,NA,"PDBC21524","753389","Present",NA,NA
+"21525","3-[2-(5-Phenyl-1,4-oxadiazol-2-yl)imino-4-thiazolidinone-5-ilydene]-1-methyl-indole-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)imino-4-thiazolidino...",NA,"CN1C2=CC=CC=C2C(=C3C(=O)NC(=NC4=NN=C(O4)C5=CC=CC=C5)S3)C1=O","SRZRFTUDMHONEM-PFONDFGASA-N",135585542,NA,"PDBC21525","732381","Present",NA,NA
+"21526","3-[2-(5-Thioxo-1,4-dihydro-1,2,4-triazol-3-yl)-4-pyridyl]-1,4-dihydro-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-Thioxo-1,4-dihydro-1,2,4-triazol-3-yl)-4-pyridyl]-1,4-dihydro-1,2,4-triazole-5-thione",NA,"C1=CN=C(C=C1C2=NC(=S)NN2)C3=NC(=S)NN3","KCZGQDOTHHKSOW-UHFFFAOYSA-N",3000660,NA,"PDBC21526","634495","Present",NA,NA
+"21527","3-[2-(Benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(Benzotriazol-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine",NA,"CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CN3N=C4C=CC=CC4=N3","DAHFALSQXWKKCL-UHFFFAOYSA-N",397760,NA,"PDBC21527","706182","Present",NA,NA
+"21528","3-[2-(Cyanoamino)-6-(2-methylpropyl)-5H-pyrimidin-1-ium-4-yl]-N-(2-nitrophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(Cyanoamino)-6-(2-methylpropyl)-5H-pyrimidin-1-ium-4-yl]-N-(2-nitrophenyl)propanamide",NA,"CC(C)CC1=[N+]=C(N=C(C1)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])NC#N","BXLJXQPFODTGJB-UHFFFAOYSA-O",494736,NA,"PDBC21528","630298","Present",NA,NA
+"21529","3-[2-(Dimethylamino)ethyl]-2-methylbenzo[f]benzimidazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(Dimethylamino)ethyl]-2-methyl-1H-naphtho[2,3-d]imidazole-4,9-dione",NA,"CC1=NC2=C(N1CCN(C)C)C(=O)C3=CC=CC=C3C2=O","ODKAVAWAZBASLO-UHFFFAOYSA-N",374271,NA,"PDBC21529","651772","Present",NA,NA
+"21530","3-[2-(Dimethylamino)propyl]-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(Dimethylamino)propyl]-1,3-benzoxazol-2-one",NA,"CC(CN1C2=CC=CC=C2OC1=O)N(C)C","OIULJRMKDMLGCS-UHFFFAOYSA-N",391462,NA,"PDBC21530","690667","Present",NA,NA
+"21531","3-[2-(Phenylethynyl)phenyl]-2-propyne-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(Phenylethynyl)phenyl]-2-propyne-1-ol",NA,"C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CCO","NTKGZWHBHPSDFW-UHFFFAOYSA-N",11436199,NA,"PDBC21531","727279","Present",NA,NA
+"21532","3-[2-Benzyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-Benzyl-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine",NA,"CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CC3=CC=CC=C3","HENOLDQCBALMOQ-UHFFFAOYSA-N",397755,NA,"PDBC21532","706177","Present",NA,NA
+"21533","3-[2-Chloro-4-(4-chlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-Chloro-4-(4-chlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid",NA,"C1=CC(=CC=C1OCC2=NC3=C(C=C(C=C3)S(=O)(=O)O)C(=O)N2C4=C(C=C(C=C4)OC5=CC=C(C=C5)Cl)Cl)OC6=C(C=C(C=C6)Cl)Cl","ZHSJFIJTAOJLDZ-UHFFFAOYSA-N",403482,NA,"PDBC21533","718383","Present",NA,NA
+"21534","3-[2-Hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-yl]-acrylic acid hexyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexyl (E)-3-[(2S,4Z)-2-(hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]prop-2-enoate",NA,"CCCCCCOC(=O)C=CC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO","ZCHNHMBJTXBRMA-QQKDIBHJSA-N",5471817,NA,"PDBC21534","714070","Present",NA,NA
+"21535","3-[2-Oxo-2-(2-oxo-cyclohexyl)-ethyl]-pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-Oxo-2-(2-oxo-cyclohexyl)-ethyl]-pyrrolidine-2,5-dione",NA,"C1CCC(=O)C(C1)C(=O)CC2CC(=O)NC2=O","ZJDBFZOBSJODLA-UHFFFAOYSA-N",359835,NA,"PDBC21535","621402","Present",NA,NA
+"21536","3-[2-Phenyl-6-(3,4,5-trimethoxyphenyl)pyridin-4-yl]-1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-phenyl-6-(3,4,5-trimethoxyphenyl)pyridin-4-yl)-1-(3...",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=CC(=N2)C3=CC=CC=C3)C4=NC(=C5C(=C4)C6=CC=CC=C6N5)C7=CC(=C(C(=C7)OC)OC)OC","WSRLQAJNEDGIEU-UHFFFAOYSA-N",155811216,NA,"PDBC21536","765797","Present",NA,NA
+"21537","3-[2-[(3E)-3-Ethylidene-5-methoxy-2,6-dihydropyridin-1-yl]ethyl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[(3E)-3-Ethylidene-5-methoxy-2,6-dihydropyridin-1-yl]ethyl]-1H-indole",NA,"CC=C1CN(CC(=C1)OC)CCC2=CNC3=CC=CC=C32","JDKRTNPJAGESMP-LZWSPWQCSA-N",5467027,NA,"PDBC21537","646967","Present",NA,NA
+"21538","3-[2-[(4-Chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[(4-Chlorophenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine",NA,"CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CC3=CC=C(C=C3)Cl","ROEVRPVBIIFVOM-UHFFFAOYSA-N",397757,NA,"PDBC21538","706179","Present",NA,NA
+"21539","3-[2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[(4-Methoxyphenyl)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine",NA,"CN(C)CCCN1C2=C(C=C(C=C2)C(F)(F)F)N=C1CC3=CC=C(C=C3)OC","YLEBLYRTFAZEDM-UHFFFAOYSA-N",397756,NA,"PDBC21539","706178","Present",NA,NA
+"21540","3-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethylamino]propane-1,2-diol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[(6-Chloro-2-methoxyacridin-9-yl)amino]ethylamino]propane-1,2-diol;hydrochloride",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCC(CO)O.Cl","MXCSLVSVSDKKNT-UHFFFAOYSA-N",24182211,NA,"PDBC21540","14659","Present",NA,NA
+"21541","3-[2-[(Methylamino)[[2-oxo-2-(4-bromophenyl)ethyl]thio]methylene]hydrazono]-1H-indole-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[(Methylamino)[[2-oxo-2-(4-bromophenyl)ethyl]thio]methylene]hydrazono]-1H-indole-2(3H)-one",NA,"CN=C(N=NC1=C(NC2=CC=CC=C21)O)SCC(=O)C3=CC=C(C=C3)Br","VRELBKWRSBTVLV-UHFFFAOYSA-N",399475,NA,"PDBC21541","710326","Present",NA,NA
+"21542","3-[2-[(Z)-1-Benzamido-2-(4-dimethylaminophenyl)vinyl]-5-oxo-4H-oxazol-4-yl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[(Z)-1-Benzamido-2-(4-dimethylaminophenyl)vinyl]-5-oxo-4H-oxazol-4-yl]propanoic acid",NA,"CN(C)C1=CC=C(C=C1)C=C(C2=NC(C(=O)O2)CCC(=O)O)NC(=O)C3=CC=CC=C3","ZMCJXVDVAPKKGY-RGEXLXHISA-N",6477567,NA,"PDBC21542","690954","Present",NA,NA
+"21543","3-[2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenyl]prop-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenyl]prop-2-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCO)C#CC=CC#CC2=CC=CC=C2N","QRAVXZQSCXACBE-UPHRSURJSA-N",24203899,NA,"PDBC21543","730085","Present",NA,NA
+"21544","3-[2-[10-[2-(3-Hydroxyprop-1-ynyl)phenyl]deca-1,9-diynyl]phenyl]prop-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[10-[2-(3-Hydroxyprop-1-ynyl)phenyl]deca-1,9-diynyl]phenyl]prop-2-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCCCC#CC2=CC=CC=C2C#CCO)C#CCO","HGYGCLPQJQTIKC-UHFFFAOYSA-N",24203452,NA,"PDBC21544","728066","Present",NA,NA
+"21545","3-[2-[2,3-Bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[2,3-Bis(dimethylamino)propyl]cyclopenten-1-yl]-1-N,1-N,2-N,2-N-tetramethylpropane-1,2-diamine",NA,"CN(C)CC(CC1=C(CCC1)CC(CN(C)C)N(C)C)N(C)C","LAAYVNAGMUFKIX-UHFFFAOYSA-N",362176,NA,"PDBC21545","625760","Present",NA,NA
+"21546","3-[2-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazinan-2-yl]-1-phenylethyl]sulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazinan-2-yl]-1-phenyl-ethyl]sulfanylpropanoic acid",NA,"C1CSC(NC1=O)(CC(C2=CC=CC=C2)SCCC(=O)O)C3=CC=C(C=C3)Cl","IERRFVNPGRBDLP-UHFFFAOYSA-N",396797,NA,"PDBC21546","703776","Present",NA,NA
+"21547","3-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC(=CC=C2)O","FDZNCNDVRVGGAQ-UHFFFAOYSA-N",24205413,NA,"PDBC21547","735442","Present",NA,NA
+"21548","3-[2-[2-[4-(2-Phenylethynyl)phenyl]ethynyl]phenyl]prop-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[2-[4-(2-Phenylethynyl)phenyl]ethynyl]phenyl]prop-2-yn-1-ol",NA,"C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3C#CCO","QYDWYTDTWUZDTN-UHFFFAOYSA-N",24204228,NA,"PDBC21548","731014","Present",NA,NA
+"21549","3-[2-[2-[4-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]prop-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[2-[4-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]phenyl]ethynyl]phenyl]prop-2-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCO)C#CC2=CC=C(C=C2)C#CC3=CC=CC=C3C#CCO","YEVMHLDIYTUKSV-UHFFFAOYSA-N",24203456,NA,"PDBC21549","728071","Present",NA,NA
+"21550","3-[2-[2-[5-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]thiophen-2-yl]ethynyl]phenyl]prop-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[2-[5-[2-[2-(3-Hydroxyprop-1-ynyl)phenyl]ethynyl]thiophen-2-yl]ethynyl]phenyl]prop-2-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCO)C#CC2=CC=C(S2)C#CC3=CC=CC=C3C#CCO","SUWLMRGKQHODJB-UHFFFAOYSA-N",24203904,NA,"PDBC21550","730090","Present",NA,NA
+"21551","3-[2-[2-[[5-[4-[Benzenesulfonyl(2-cyanoethyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]hydrazinyl]-N-(3-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[2-[[5-[4-[Benzenesulfonyl(2-cyanoethyl)amino]phenyl]-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]hydrazinyl]-N-(3-methoxyphenyl)-3-oxopropanamide",NA,"COC1=CC=CC(=C1)NC(=O)CC(=O)NNCC(=O)NC2=NN=C(S2)C3=CC=C(C=C3)N(CCC#N)S(=O)(=O)C4=CC=CC=C4","CMUDYEQEAKIOEB-UHFFFAOYSA-N",370005,NA,"PDBC21551","642569","Present",NA,NA
+"21552","3-[2-[3-(2,4-Dimethoxyanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(2,4-dimethoxyphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[3-(2,4-Dimethoxyanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(2,4-dimethoxyphenyl)-2-oxopropanamide",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)CC2=C(C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C(=O)NC3=C(C=C(C=C3)OC)OC)OC","SIALLFSEWSVREZ-UHFFFAOYSA-N",371568,NA,"PDBC21552","645897","Present",NA,NA
+"21553","3-[2-[3-(2,5-Dichloroanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(2,5-dichlorophenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[3-(2,5-Dichloroanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(2,5-dichlorophenyl)-2-oxopropanamide",NA,"C1=CC(=C(C=C1Cl)NC(=O)C(=O)CC2=C(C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl)Cl","LZHJHVHRKPULIY-UHFFFAOYSA-N",371960,NA,"PDBC21553","646777","Present",NA,NA
+"21554","3-[2-[3-(4-Chloro-2-methylanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(4-chloro-2-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[3-(4-Chloro-2-methylanilino)-2,3-dioxopropyl]-3,4-dinitrophenyl]-N-(4-chloro-2-methylphenyl)-2-oxopropanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC2=C(C(=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)C","DYHXRAWINWIWSQ-UHFFFAOYSA-N",371869,NA,"PDBC21554","646388","Present",NA,NA
+"21555","3-[2-[3-Amino-2-(dimethylamino)propyl]cyclopenten-1-yl]-2-N,2-N-dimethylpropane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[3-Amino-2-(dimethylamino)propyl]cyclopenten-1-yl]-2-N,2-N-dimethylpropane-1,2-diamine",NA,"CN(C)C(CC1=C(CCC1)CC(CN)N(C)C)CN","KLCGZEXDANGXJY-UHFFFAOYSA-N",362175,NA,"PDBC21555","625759","Present",NA,NA
+"21556","3-[2-[3-[(2,4-Dimethylphenyl)carbamoyl]-2-oxonaphthalen-1-ylidene]hydrazinyl]-4-hydroxybenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(E)-[3-[(2,4-Dimethylphenyl)carbamoyl]-2-hydroxy-1-naphthyl]azo]-4-hydroxy-benzenesulfonic acid",NA,"CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)S(=O)(=O)O)O)C","LZBFYQQOKGIGIS-UHFFFAOYSA-N",84715,NA,"PDBC21556","97318","Present",NA,NA
+"21557","3-[2-[4-Oxo-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[4-Oxo-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-3-yl]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]-2-[(E)-2-phenylethenyl]-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C=CC2=CC=CC=C2)C3=NC4=CC5=C(C=C4S3)N=C(S5)N6C(SCC6=O)C=CC7=CC=CC=C7","ABVVAMCCOGSZCL-PHEQNACWSA-N",5471094,NA,"PDBC21557","708421","Present",NA,NA
+"21558","3-[2-[4-[2-Oxo-2-(5-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)ethoxy]phenoxy]acetyl]-1-phenyl-2-sulfanylideneimidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[4-[2-Oxo-2-(5-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)ethoxy]phenoxy]acetyl]-1-phenyl-2-sulfanylideneimidazolidin-4-one",NA,"C1C(=O)N(C(=S)N1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)OCC(=O)N4C(=O)CN(C4=S)C5=CC=CC=C5","KSSYNKBGUWBGIV-UHFFFAOYSA-N",394030,NA,"PDBC21558","697148","Present",NA,NA
+"21559","3-[2-[9-[2-(3-Hydroxyprop-1-ynyl)phenyl]nona-1,8-diynyl]phenyl]prop-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[9-[2-(3-Hydroxyprop-1-ynyl)phenyl]nona-1,8-diynyl]phenyl]prop-2-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCCC#CC2=CC=CC=C2C#CCO)C#CCO","DEQAVBUKXGIXAW-UHFFFAOYSA-N",24203451,NA,"PDBC21559","728065","Present",NA,NA
+"21560","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octane;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-(3-phenylpropyl)-3,8-diazabicyclo[3.2.1]octane;oxalic acid",NA,"C1CC2CN(CC1N2CCCC3=CC=CC=C3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(=O)O)O","FBHYQJYIXIXEOA-UHFFFAOYSA-N",401885,NA,"PDBC21560","715578","Present",NA,NA
+"21561","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-methyl-3,8-diazabicyclo[3.2.1]octane",NA,"CN1C2CCC1CN(C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F","BBVCHKBRDIGQFY-UHFFFAOYSA-N",401893,NA,"PDBC21561","715582","Present",NA,NA
+"21562","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-methyl-8-azabicyclo[3.2.1]octane;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-8-methyl-8-azabicyclo[3.2.1]octane;(E)-but-2-enedioic acid",NA,"CN1C2CCC1CC(C2)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O","PGIKMYQNKAJGKL-WLHGVMLRSA-N",5471950,NA,"PDBC21562","715575","Present",NA,NA
+"21563","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-(1H-indol-2-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-(1H-indol-2-ylmethyl)-3,9-diazabicyclo[4.2.1]nonane;oxalic acid",NA,"C1CC2CN(CCC1N2CC3=CC4=CC=CC=C4N3)CCOC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F.C(=O)(C(=O)O)O","PRFNEDVJFWRBFN-UHFFFAOYSA-N",401897,NA,"PDBC21563","715585","Present",NA,NA
+"21564","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-(3-phenylpropyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-(3-phenylpropyl)-3,9-diazabicyclo[4.2.1]nonane;hydrochloride",NA,"C1CC2CN(CCC1N2CCCC3=CC=CC=C3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.Cl","BDTAKUVKDFYPOS-UHFFFAOYSA-N",401894,NA,"PDBC21564","715583","Present",NA,NA
+"21565","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-(furan-2-yl)prop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-(furan-2-yl)prop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid",NA,"C1CC2CN(CCC1N2CC=CC3=CC=CO3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(=O)O)O","CKZWFHFTIYLNOU-KSMVGCCESA-N",5471955,NA,"PDBC21565","715588","Present",NA,NA
+"21566","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-pyridin-3-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-pyridin-3-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid",NA,"C1CC2CN(CCC1N2CC=CC3=CN=CC=C3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(=O)O)O","XJRMEWYZTHKTFS-VEELZWTKSA-N",5471953,NA,"PDBC21566","715587","Present",NA,NA
+"21567","3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-thiophen-2-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-9-[(E)-3-thiophen-2-ylprop-2-enyl]-3,9-diazabicyclo[4.2.1]nonane;oxalic acid",NA,"C1CC2CN(CCC1N2CC=CC3=CC=CS3)CCOC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F.C(=O)(C(=O)O)O","FTSIOYFPWXTUDM-KSMVGCCESA-N",5471951,NA,"PDBC21567","715586","Present",NA,NA
+"21568","3-[2-[Bis(4-fluorophenyl)methoxy]ethylidene]-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{2-[Bis(4-fluorophenyl)methoxy]ethylidene}-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride",NA,"CN1C2CCC1CC(=CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C2.Cl","URQWNSYDPXLJJJ-UHFFFAOYSA-N",401872,NA,"PDBC21568","715568","Present",NA,NA
+"21569","3-[2-[Bis[2-[bis(2-cyanoethyl)amino]ethyl]amino]ethyl-(2-cyanoethyl)amino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[Bis[2-[bis(2-cyanoethyl)amino]ethyl]amino]ethyl-(2-cyanoethyl)amino]propanenitrile",NA,"C(CN(CCC#N)CCN(CCN(CCC#N)CCC#N)CCN(CCC#N)CCC#N)C#N","QCRZEMFWXFYQES-UHFFFAOYSA-N",383109,NA,"PDBC21569","671153","Present",NA,NA
+"21570","3-[2-[[2-(3-Cyanoanilino)phenyl]disulfanyl]anilino]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-[[2-(3-Cyanoanilino)phenyl]disulfanyl]anilino]benzonitrile",NA,"C1=CC=C(C(=C1)NC2=CC=CC(=C2)C#N)SSC3=CC=CC=C3NC4=CC=CC(=C4)C#N","BJQOPCUTOBUGRG-UHFFFAOYSA-N",383771,NA,"PDBC21570","672215","Present",NA,NA
+"21571","3-[3,4-Diacetyloxy-6-(acetyloxymethyl)-5-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]oxypropane-1-thiolate;1,3-dibenzyl-4,5-diphenyl-2H-imidazol-2-ide;gold(1+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-dibenzyl-4,5-diphenylimidazol-2-ylidene) gold(I) (1...",NA,"CC(=O)OCC1C(C(C(C(O1)OCCC[S-])OC(=O)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C.[CH-]1N(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.[Au+]","UDUZDVNKVORBBS-UHFFFAOYSA-M",155807071,NA,"PDBC21571","791198","Present",NA,NA
+"21572","3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-4H-[1,2]thiazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-sulfanylidene-4H-[1,2]thiazolo[4,5-d]pyrimidin-7-one",NA,"C(C1C(C(C(O1)C2=NSC3=C2NC(=S)NC3=O)O)O)O","ANMZLGUZOQSFCR-UHFFFAOYSA-N",3748828,NA,"PDBC21572","682916","Present",NA,NA
+"21573","3-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(dimethylamino)cyclobut-3-ene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-(dimethylamino)cyclobut-3-ene-1,2-dione",NA,"CN(C)C1=C(C(=O)C1=O)C2C(C(C(O2)CO)O)O","JYAQYTZUHKBRLR-UHFFFAOYSA-N",393543,NA,"PDBC21573","695605","Present",NA,NA
+"21574","3-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-7-methyl-1H-thieno[3,2-d]pyrimidine-2,4-dione",NA,"CC1=CSC2=C1NC(=O)N(C2=O)C3C(C(C(O3)CO)O)O","XAGOOXMHFHXUHD-UHFFFAOYSA-N",385457,NA,"PDBC21574","676695","Present",NA,NA
+"21575","3-[3,5-Bis(trifluoromethyl)anilino]-1,7,7-trimethyl-norbornan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3,5-Bis(trifluoromethyl)anilino]-1,7,7-trimethyl-norbornan-2-one",NA,"CC1(C2CCC1(C(=O)C2NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C)C","QDAWCNQBXDDCPC-UHFFFAOYSA-N",395323,NA,"PDBC21575","699805","Present",NA,NA
+"21576","3-[3,5-Bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]phenyl]-3-oxopropanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3,5-Bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]phenyl]-3-oxo-propanenitrile",NA,"C1=CC(=CC=C1COC2=CC(=CC(=C2)COC3=CC(=CC(=C3)C(=O)CC#N)OCC4=CC(=CC(=C4)OCC5=CC=C(C=C5)Br)OCC6=CC=C(C=C6)Br)OCC7=CC=C(C=C7)Br)Br","DDGKOCLFASFZGQ-UHFFFAOYSA-N",395736,NA,"PDBC21576","700536","Present",NA,NA
+"21577","3-[3-(1,3-Benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-(1,3-Benzodioxol-5-yl)-1-(3,4-dimethoxyphenyl)-3-oxo-propyl]-4-hydroxy-chromen-2-one",NA,"COC1=C(C=C(C=C1)C(CC(=O)C2=CC3=C(C=C2)OCO3)C4=C(C5=CC=CC=C5OC4=O)O)OC","KAEJNAAQVHOUJZ-UHFFFAOYSA-N",54680474,NA,"PDBC21577","208759","Present",NA,NA
+"21578","3-[3-(1-Piperidin-1-ylcyclohexyl)phenoxy]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-[1-(1-Piperidyl)cyclohexyl]phenoxy]propanenitrile",NA,"C1CCC(CC1)(C2=CC(=CC=C2)OCCC#N)N3CCCCC3","BEAUAZGEYUARAA-UHFFFAOYSA-N",398096,NA,"PDBC21578","707462","Present",NA,NA
+"21579","3-[3-(2-Carboxyethylamino)propylamino]propanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642921",NA,"C(CNCCC(=O)O)CNCCC(=O)O.Cl","SSYNBZRNYAQVFL-UHFFFAOYSA-N",370177,NA,"PDBC21579","642921","Present",NA,NA
+"21580","3-[3-(2-Cyanoethyl)-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-(2-Cyanoethyl)-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl]propanenitrile",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)(CCC#N)CCC#N","HSZVOGXIKJCWSL-UHFFFAOYSA-N",380418,NA,"PDBC21580","665941","Present",NA,NA
+"21581","3-[3-(2-Oxo-1,3-benzoxazol-3-yl)propyl]-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-(2-Oxo-1,3-benzoxazol-3-yl)propyl]-1,3-benzoxazol-2-one",NA,"C1=CC=C2C(=C1)N(C(=O)O2)CCCN3C4=CC=CC=C4OC3=O","YFNAMDVTSIEUCU-UHFFFAOYSA-N",391445,NA,"PDBC21581","690649","Present",NA,NA
+"21582","3-[3-(2-Oxopropyl)thio][1,4]triazolyl triphenylphosphonium chloride, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-(2-Oxopropyl)thio][1,2,4]triazolyl triphenylphospho...",NA,"C1=CC=C(C=C1)[P+](CC(=O)CSC2=NC=NN2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl.[Cl-]","AETABKYALDBANI-UHFFFAOYSA-M",360918,NA,"PDBC21582","623633","Present",NA,NA
+"21583","3-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]benzenesulfonamide",NA,"C1=CC(=CC(=C1)S(=O)(=O)N)NC(=S)NC(=O)NC2=CC(=C(C=C2)Cl)Cl","HCAPKDCCZKFUII-UHFFFAOYSA-N",5470530,NA,"PDBC21583","702686","Present",NA,NA
+"21584","3-[3-(4-Aminobutylamino)propyl]-2-oxazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-(4-aminobutylamino)propyl]-2-oxazolidinone",NA,"C1COC(=O)N1CCCNCCCCN","IGKSIBGAHGEJBE-UHFFFAOYSA-N",380471,NA,"PDBC21584","666067","Present",NA,NA
+"21585","3-[3-(4-Cyclopentylphenyl)propyl]-4-hydroxynaphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 2-[3-(4-cyclopentylphenyl)-propyl]...",NA,"C1CCC(C1)C2=CC=C(C=C2)CCCC3=C(C4=CC=CC=C4C(=O)C3=O)O","ICLZWWREVHIETA-UHFFFAOYSA-N",45028328,NA,"PDBC21585","742232","Present",NA,NA
+"21586","3-[3-(4-Methoxyphenyl)-4,9-dioxobenzo[f]benzimidazol-2-yl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(4-Methoxyphenyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl]propanoic acid",NA,"COC1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCC(=O)O","YTZQQWDVSFBIQW-UHFFFAOYSA-N",382890,NA,"PDBC21586","670767","Present",NA,NA
+"21587","3-[3-(5-Methoxy-1H-indol-3-yl)-2H-1,4-thiazin-5-yl]-1H-pyrrolo[2,3-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-(5-methoxy-1H-indol-3-yl)-2H-1,4-thiazin-5-yl]-1H-p...",NA,"COC1=CC2=C(C=C1)NC=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5","WHBGXCMBEUXTCX-UHFFFAOYSA-N",136040141,NA,"PDBC21587","753369","Present",NA,NA
+"21588","3-[3-(7-Hydroxytriazolo[4,5-d]pyrimidin-3-yl)propyl]triazolo[4,5-d]pyrimidin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-(7-Hydroxytriazolo[4,5-d]pyrimidin-3-yl)propyl]triazolo[4,5-d]pyrimidin-7-ol",NA,"C1=NC2=C(C(=O)N1)N=NN2CCCN3C4=C(C(=O)NC=N4)N=N3","ZAPPSJLNEAOBKS-UHFFFAOYSA-N",135409017,NA,"PDBC21588","653418","Present",NA,NA
+"21589","3-[3-(Diethylamino)propyl]pyrido[2,3-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-(Diethylamino)propyl]pyrido[2,3-d]pyrimidin-4(3H)-one",NA,"CCN(CC)CCCN1C=NC2=C(C1=O)C=CC=N2","GIVNOFGTFJJETG-UHFFFAOYSA-N",360823,NA,"PDBC21589","623240","Present",NA,NA
+"21590","3-[3-(Dimethylamino)propylamino]hexanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-(Dimethylamino)propylamino]hexanedinitrile",NA,"CN(C)CCCNC(CCC#N)CC#N","FSQFEECLDARRLK-UHFFFAOYSA-N",293528,NA,"PDBC21590","160165","Present",NA,NA
+"21591","3-[3-(Propargylthio)quinoline-4-ylthio]quinoline-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydro-4-oxo-3'-propargylthio-3,4'-diquinolinyl sul...",NA,"C#CCSC1=C(C2=CC=CC=C2N=C1)SC3=CNC4=CC=CC=C4C3=O","GTUBGKDAPLYKLI-UHFFFAOYSA-N",401658,NA,"PDBC21591","715360","Present",NA,NA
+"21592","3-[3-(Trifluoromethyl)phenyl]-6-(pyrrolidine-1-yl)pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Pyrrolidin-1-yl-3-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-2,4-dione",NA,"C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=CC(=C3)C(F)(F)F","IYVJDYWQBNPSBX-UHFFFAOYSA-N",396882,NA,"PDBC21592","703909","Present",NA,NA
+"21593","3-[3-(Trifluoromethyl)phenyl]-6-morpholinopyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Morpholino-3-[3-(trifluoromethyl)phenyl]-1h-pyrimidine-2,4-dione",NA,"C1COCCN1C2=CC(=O)N(C(=O)N2)C3=CC=CC(=C3)C(F)(F)F","JBHJIPOUUMPCSW-UHFFFAOYSA-N",396950,NA,"PDBC21593","704154","Present",NA,NA
+"21594","3-[3-Amino-4-(1,3-benzothiazol-2-yl)-7-nitro-1-oxoisoquinolin-2-yl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Amino-4-(1,3-benzothiazol-2-yl)-7-nitro-1-oxo-2-isoquinolyl]benzoic acid",NA,"C1=CC=C2C(=C1)N=C(S2)C3=C(N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])C5=CC=CC(=C5)C(=O)O)N","RAQLQSRNYDEINT-UHFFFAOYSA-N",391658,NA,"PDBC21594","691200","Present",NA,NA
+"21595","3-[3-Amino-4-(4-methoxyphenyl)-7-nitro-1-oxo-2-isoquinolyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Amino-4-(4-methoxyphenyl)-7-nitro-1-oxo-2-isoquinolyl]benzoic acid",NA,"COC1=CC=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)O)N","KRUIPIICEHGIGJ-UHFFFAOYSA-N",392507,NA,"PDBC21595","693024","Present",NA,NA
+"21596","3-[3-Bromo-3-(bromomethyl)pent-4-enyl]-2,2-dimethyloxirane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Bromo-3-(bromomethyl)pent-4-en-1-yl]-2,2-dimethyloxirane",NA,"CC1(C(O1)CCC(CBr)(C=C)Br)C","XVGUTIOYSVDYGM-UHFFFAOYSA-N",382918,NA,"PDBC21596","670793","Present",NA,NA
+"21597","3-[3-Chloro-2-(3-nitrophenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Chloro-2-(3-nitrophenyl)-4-oxoazetidin-1-yl]quinazolin-4(3H)-one",NA,"C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC(=CC=C4)[N+](=O)[O-]","GLIPMQANQSVZFV-UHFFFAOYSA-N",373564,NA,"PDBC21597","650017","Present",NA,NA
+"21598","3-[3-Chloro-2-(4-nitrophenyl)-4-oxo-azetidin-1-yl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Chloro-2-(4-nitrophenyl)-4-oxoazetidin-1-yl]quinazolin-4(3H)-one",NA,"C1=CC=C2C(=C1)C(=O)N(C=N2)N3C(C(C3=O)Cl)C4=CC=C(C=C4)[N+](=O)[O-]","VTOPRLOHDFOJDB-UHFFFAOYSA-N",373565,NA,"PDBC21598","650018","Present",NA,NA
+"21599","3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(2,4-dichlorophenyl)thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(2,4-dichlorophenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl","CZHXMWQEBROOTK-UHFFFAOYSA-N",392952,NA,"PDBC21599","694166","Present",NA,NA
+"21600","3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(2-hydroxyphenyl)thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl","BACFPTPXYBNCNG-UHFFFAOYSA-N",392953,NA,"PDBC21600","694167","Present",NA,NA
+"21601","3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl","SFTGDEHMYAZZBQ-UHFFFAOYSA-N",392955,NA,"PDBC21601","694169","Present",NA,NA
+"21602","3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(4-chlorophenyl)thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(4-chlorophenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl","AMIHDTRCWFXMLW-UHFFFAOYSA-N",392951,NA,"PDBC21602","694165","Present",NA,NA
+"21603","3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(4-dimethylaminophenyl)thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Chloro-4-(4-chlorophenoxy)phenyl]-2-(4-dimethylaminophenyl)thiazolidin-4-one",NA,"CN(C)C1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC(=C(C=C3)OC4=CC=C(C=C4)Cl)Cl","IKTODYNLMXEQOO-UHFFFAOYSA-N",392956,NA,"PDBC21603","694170","Present",NA,NA
+"21604","3-[3-Di(4-hydroxy-2-oxo-2H-3-chromenyl)methylphenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-4-hydroxy-2H-2-chromenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[3-[Bis(4-hydroxy-2-oxochromen-3-yl)methyl]phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC(=CC=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O)C8=C(C9=CC=CC=C9OC8=O)O)O","QZBMFHIMCCLLEZ-UHFFFAOYSA-N",54694511,NA,"PDBC21604","686393","Present",NA,NA
+"21605","3-[3-Methoxy-4-hydroxy-5-[1-(methoxycarbonyl)-2-(3,4-dimethoxyphenyl)ethyl]phenyl]propanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(3,4-dimethoxyphenyl)-2-[2-hydroxy-3-methoxy-5-(3-methoxy-3-oxopropyl)phenyl]propanoate",NA,"COC1=C(C=C(C=C1)CC(C2=C(C(=CC(=C2)CCC(=O)OC)OC)O)C(=O)OC)OC","GYPNOLWZMZCOFY-UHFFFAOYSA-N",384680,NA,"PDBC21605","674907","Present",NA,NA
+"21606","3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(2-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(2-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(2-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(2-methylphenyl)-3-oxopropanamide",NA,"CC1=CC=CC=C1NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C(=O)CC(=O)NC6=CC=CC=C6C)C","NMZUPLXHJQOACQ-UHFFFAOYSA-N",385925,NA,"PDBC21606","677388","Present",NA,NA
+"21607","3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(3-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(3-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(3-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(3-methylphenyl)-3-oxopropanamide",NA,"CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C(=O)CC(=O)NC6=CC=CC(=C6)C)C","CGBQIISCEQELFS-UHFFFAOYSA-N",385926,NA,"PDBC21607","677389","Present",NA,NA
+"21608","3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(4-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-Methyl-4-[[4-[4-[[3-methyl-1-[3-(4-methylanilino)-3-oxopropanoyl]-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-5-oxo-4H-pyrazol-1-yl]-N-(4-methylphenyl)-3-oxopropanamide",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5C(=NN(C5=O)C(=O)CC(=O)NC6=CC=C(C=C6)C)C","VXIOZNKRTFJDBO-UHFFFAOYSA-N",385927,NA,"PDBC21608","677390","Present",NA,NA
+"21609","3-[3-[(2,3-Dihydroxy-5-sulfo-benzoyl)-[4-[(2,3-dihydroxy-5-sulfo-benzoyl)-[3-[(2,3-dihydroxy-5-sulfo-benzoyl)amino]propyl]amino]butyl]amino]propylcarbamoyl]-4,5-dihydroxy-benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-[(2,3-Dihydroxy-5-sulfobenzoyl)-[4-[(2,3-dihydroxy-5-sulfobenzoyl)-[3-[(2,3-dihydroxy-5-sulfobenzoyl)amino]propyl]amino]butyl]amino]propylcarbamoyl]-4,5-dihydroxybenzenesulfonic acid",NA,"C1=C(C=C(C(=C1C(=O)NCCCN(CCCCN(CCCNC(=O)C2=C(C(=CC(=C2)S(=O)(=O)O)O)O)C(=O)C3=C(C(=CC(=C3)S(=O)(=O)O)O)O)C(=O)C4=C(C(=CC(=C4)S(=O)(=O)O)O)O)O)O)S(=O)(=O)O","IVQTZAYZNMLEIO-UHFFFAOYSA-N",391981,NA,"PDBC21609","691703","Present",NA,NA
+"21610","3-[3-[2,4-Dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-4-hydroxyphenyl]-1-(2,4-dihydroxyphenyl)propan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-[2,4-Dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-4-hydroxyphenyl]-1-(2,4-dihydroxyphenyl)propan-1-one",NA,"C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C(=C2)C3=C(C=CC(=C3)CCC(=O)C4=C(C=C(C=C4)O)O)O)O)O)O","FAQWOFCQXNXDLT-XCVCLJGOSA-N",5472702,NA,"PDBC21610","720817","Present",NA,NA
+"21611","3-[3-[2-(Diethylamino)ethylsulfanyl]-1H-1,2,4-triazol-5-yl]-7-methyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-[2-(Diethylamino)ethylsulfanyl]-1H-1,2,4-triazol-5-yl]-7-methyl-1H-1,8-naphthyridin-4-one",NA,"CCN(CC)CCSC1=NNC(=N1)C2=CNC3=C(C2=O)C=CC(=N3)C","KQFBOVSPARXCLY-UHFFFAOYSA-N",135426672,NA,"PDBC21611","706814","Present",NA,NA
+"21612","3-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with N-[[3-[2-chloro-4-(4,6-...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C","NFZCDHIQVFFNCX-UHFFFAOYSA-N",275314,NA,"PDBC21612","122060","Present",NA,NA
+"21613","3-[3-[2-[Bis[2-[[3-(3-carboxy-2-methoxy-phenyl)-2-methoxy-benzoyl]amino]ethyl]amino]ethylcarbamoyl]-2-methoxy-phenyl]-2-methoxy-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-[2-[Bis[2-[[3-(3-carboxy-2-methoxyphenyl)-2-methoxybenzoyl]amino]ethyl]amino]ethylcarbamoyl]-2-methoxyphenyl]-2-methoxybenzoic acid",NA,"COC1=C(C=CC=C1C(=O)NCCN(CCNC(=O)C2=CC=CC(=C2OC)C3=C(C(=CC=C3)C(=O)O)OC)CCNC(=O)C4=CC=CC(=C4OC)C5=C(C(=CC=C5)C(=O)O)OC)C6=C(C(=CC=C6)C(=O)O)OC","IJQAKTXGGGZOSI-UHFFFAOYSA-N",385042,NA,"PDBC21613","675963","Present",NA,NA
+"21614","3-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride; ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)N)N)C","UEWHSOJEWFZEHY-UHFFFAOYSA-N",270820,NA,"PDBC21614","113908","Present",NA,NA
+"21615","3-[4'-(Methylthio)-1-naphthyl)phthalide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4'-(Methylthio)-1-naphthyl)phthalide",NA,"CSC1=CC=C(C2=CC=CC=C21)C3C4=CC=CC=C4C(=O)O3","LIJRPMMDIWJXTO-UHFFFAOYSA-N",368428,NA,"PDBC21615","639444","Present",NA,NA
+"21616","3-[4'-Chloro-1-naphthyl]phthalide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4'-Chloro-1-naphthyl]phthalide",NA,"C1=CC=C2C(=C1)C(OC2=O)C3=CC=C(C4=CC=CC=C34)Cl","AJTOEBRDTYZUPU-UHFFFAOYSA-N",368427,NA,"PDBC21616","639443","Present",NA,NA
+"21617","3-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-6H-triazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-6H-triazolo[4,5-d]pyrimidin-7-one",NA,"C1=C(C(C(C1N2C3=C(C(=O)NC=N3)N=N2)O)O)CO","VMHPSTGSEJZZKZ-UHFFFAOYSA-N",135416123,NA,"PDBC21617","642828","Present",NA,NA
+"21618","3-[4,7-Bis(2-carboxyethyl)-1,4,7-triazonan-1-yl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,4,7-Triazonine-1,4,7-tripropanoic acid, hexahydro-",NA,"C1CN(CCN(CCN1CCC(=O)O)CCC(=O)O)CCC(=O)O","XTBYGWFSZYYULT-UHFFFAOYSA-N",393905,NA,"PDBC21618","696866","Present",NA,NA
+"21619","3-[4-(1,1-Dimethylprop-2-ynoxy)butoxy]-1-hydroxy-10-methyl-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,1-Dimethylprop-2-ynoxy)butoxy]-1-hydroxy-10-methyl-acridin-9-one",NA,"CC(C)(C#C)OCCCCOC1=CC2=C(C(=C1)O)C(=O)C3=CC=CC=C3N2C","PHSVTDPMCASFSA-UHFFFAOYSA-N",5467450,NA,"PDBC21619","652551","Present",NA,NA
+"21620","3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC=CC6=CC=CC=C6","ASXJIUKCYSKBQT-JLYPQOKGSA-N",5470725,NA,"PDBC21620","704653","Present",NA,NA
+"21621","3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-penta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(1E,3E)-penta-1,3-dienyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"CC=CC=CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O","PPTKYWBYYLFDAN-CRBCFSCISA-N",5470728,NA,"PDBC21621","704656","Present",NA,NA
+"21622","3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=NN(C3(C2)N(C(=O)CS3)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)S(=O)(=O)O","ZUZCMEBCENUTKW-VAWYXSNFSA-N",5470721,NA,"PDBC21622","704649","Present",NA,NA
+"21623","3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-phenylethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-phenylethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6","VEBYSAGFNVZSIN-BUHFOSPRSA-N",5470724,NA,"PDBC21623","704652","Present",NA,NA
+"21624","3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-thiophen-2-ylethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-3-oxo-8-[(E)-2-thiophen-2-ylethenyl]-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CS6","ABMBJDYFYWLVDW-ZHACJKMWSA-N",5470722,NA,"PDBC21624","704650","Present",NA,NA
+"21625","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-bromophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-bromophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6Br","PVIXJDRMHMEFJV-OUKQBFOZSA-N",5470715,NA,"PDBC21625","704643","Present",NA,NA
+"21626","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-hydroxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6O","WTBYICVQVMIPAM-OUKQBFOZSA-N",135505203,NA,"PDBC21626","704644","Present",NA,NA
+"21627","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"COC1=CC=CC=C1C=CC2=NN(C3(C2)N(C(=O)CS3)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)S(=O)(=O)O","KPDUVHYUFMBOCS-BUHFOSPRSA-N",5470720,NA,"PDBC21627","704648","Present",NA,NA
+"21628","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-nitrophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(2-nitrophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC=CC=C6[N+](=O)[O-]","MVHPNXHEMLKYEB-OUKQBFOZSA-N",5470727,NA,"PDBC21628","704655","Present",NA,NA
+"21629","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-bromophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-bromophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC(=CC=C6)Br","HCYBZDCNGQICFG-VAWYXSNFSA-N",5470714,NA,"PDBC21629","704642","Present",NA,NA
+"21630","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"COC1=CC=CC(=C1)C=CC2=NN(C3(C2)N(C(=O)CS3)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)S(=O)(=O)O","GOMRSFCGRBPEOL-OUKQBFOZSA-N",5470719,NA,"PDBC21630","704647","Present",NA,NA
+"21631","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-nitrophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(3-nitrophenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O)C=CC6=CC(=CC=C6)[N+](=O)[O-]","VWXZODIKBLRMQB-VAWYXSNFSA-N",5470726,NA,"PDBC21631","704654","Present",NA,NA
+"21632","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(4-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-(4-methoxyphenyl)ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"COC1=CC=C(C=C1)C=CC2=NN(C3(C2)N(C(=O)CS3)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)S(=O)(=O)O","DLAZWWXTRZZSCN-FMIVXFBMSA-N",5470718,NA,"PDBC21632","704646","Present",NA,NA
+"21633","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-2-[4-(diethylamino)phenyl]ethenyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"CCN(CC)C1=CC=C(C=C1)C=CC2=NN(C3(C2)N(C(=O)CS3)C4=NC5=CC=CC=C5S4)C6=CC(=CC=C6)S(=O)(=O)O","XVOPTXISUUVNFQ-NTCAYCPXSA-N",5470717,NA,"PDBC21633","704645","Present",NA,NA
+"21634","3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-4-methylpent-1-enyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-Benzothiazol-2-yl)-8-[(E)-4-methylpent-1-enyl]-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"CC(C)CC=CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O","GPGNZNHYQCLSRN-VMPITWQZSA-N",5470723,NA,"PDBC21634","704651","Present",NA,NA
+"21635","3-[4-(1,3-Benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1,3-benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)S(=O)(=O)O","KLIAGZQAAJEKFQ-UHFFFAOYSA-N",397247,NA,"PDBC21635","704664","Present",NA,NA
+"21636","3-[4-(1-Adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1-Adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC(=C6)C#N","OYWCELLDCGQESS-UHFFFAOYSA-N",384703,NA,"PDBC21636","674939","Present",NA,NA
+"21637","3-[4-(1-Hydroxybutyl)triazol-1-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1-Hydroxybutyl)triazol-1-yl]benzenesulfonic acid",NA,"CCCC(C1=CN(N=N1)C2=CC(=CC=C2)S(=O)(=O)O)O","BTIYETNSPANMHR-UHFFFAOYSA-N",365361,NA,"PDBC21637","632946","Present",NA,NA
+"21638","3-[4-(1H-Indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-indole",NA,"CN1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CNC5=C4C=CC=N5","NWGCTTNQVVTNEW-UHFFFAOYSA-N",60147979,NA,"PDBC21638","753376","Present",NA,NA
+"21639","3-[4-(2,2,3,3-Tetracyanocyclopropyl)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(2,2,3,3-Tetracyanocyclopropyl)phenyl]cyclopropane-1,1,2,2-tetracarbonitrile",NA,"C1=CC(=CC=C1C2C(C2(C#N)C#N)(C#N)C#N)C3C(C3(C#N)C#N)(C#N)C#N","WYTZXTXKOCVGAT-UHFFFAOYSA-N",361809,NA,"PDBC21639","625128","Present",NA,NA
+"21640","3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-1-(4-bromophenyl)propan-1-ol;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-1-(4-bromophenyl)propan-1-ol;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCC(C2=CC=C(C=C2)Br)O)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O","QRGDCKUNXUBOLS-BTJKTKAUSA-N",5471963,NA,"PDBC21640","715598","Present",NA,NA
+"21641","3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCC(C2=CC=CC=C2)O)CCOC(C3=CC=CC=C3)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O","SBKWOPPWVIJHPY-BTJKTKAUSA-N",5471962,NA,"PDBC21641","715597","Present",NA,NA
+"21642","3-[4-(2-Carboxyethylamino)butylamino]propanoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642922",NA,"C(CCNCCC(=O)O)CNCCC(=O)O.Cl","VEAHXSJFYHYHTH-UHFFFAOYSA-N",370179,NA,"PDBC21642","642922","Present",NA,NA
+"21643","3-[4-(2-Methylbutan-2-yl)phenoxy]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-tert-pentylphenoxy)benzoic acid",NA,"CCC(C)(C)C1=CC=C(C=C1)OC2=CC=CC(=C2)C(=O)O","JFXXHIZGJDHSSF-UHFFFAOYSA-N",222268,NA,"PDBC21643","7962","Present",NA,NA
+"21644","3-[4-(2-Tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2-[[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2-[[4-(2-tert-butyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]methyl]propanoic acid",NA,"CC1(COC(OC1)(C2=CC=C(C=C2)CC(CC3=CC=C(C=C3)C4(OCC(CO4)(C)C)C(C)(C)C)C(=O)O)C(C)(C)C)C","OYKGNJGTCYPQFL-UHFFFAOYSA-N",334512,NA,"PDBC21644","339911","Present",NA,NA
+"21645","3-[4-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(3-Amino-1,4-dioxidoquinoxaline-1,4-diium-2-yl)phenyl]-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"C1=CC=C2C(=C1)[N+](=C(C(=[N+]2[O-])N)C3=CC=C(C=C3)C4=[N+](C5=CC=CC=C5[N+](=C4N)[O-])[O-])[O-]","NVQMOUOPHBTQML-UHFFFAOYSA-N",135484683,NA,"PDBC21645","621724","Present",NA,NA
+"21646","3-[4-(3-Aminopropylamino)butyl]-2-oxazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(3-aminopropylamino)butyl]-2-oxazolidinone",NA,"C1COC(=O)N1CCCCNCCCN","FYXFEEQRPLBNDI-UHFFFAOYSA-N",380472,NA,"PDBC21646","666068","Present",NA,NA
+"21647","3-[4-(3-Hydroxyphenyl)hexan-3-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 3,3'-(1,2-diethyl-1,2-ethanediyl)bis-",NA,"CCC(C1=CC(=CC=C1)O)C(CC)C2=CC(=CC=C2)O","KUJAWCSIKNKXLL-UHFFFAOYSA-N",100424,NA,"PDBC21647","297170","Present",NA,NA
+"21648","3-[4-(4-Methoxyphenyl)piperazin-1-yl]-5-pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(4-Methoxyphenyl)piperazin-1-yl]-2-(2-pyridyl)-5,6,...",NA,"COC1=CC=C(C=C1)N2CCN(CC2)C3=C4C5=C(CCCCCC5)SC4=NC(=N3)C6=CC=CC=N6","UDCUJNQMCRRETB-UHFFFAOYSA-N",72196913,NA,"PDBC21648","764320","Present",NA,NA
+"21649","3-[4-(4-Nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(4-Nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile",NA,"C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N=C3C#N","PAVKONCGUPJJRO-UHFFFAOYSA-N",394344,NA,"PDBC21649","697714","Present",NA,NA
+"21650","3-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]-2-[(E)-styryl]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]-2-[(E)-styryl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C=CC2=CC=CC=C2)C3=CC=C(C=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","HPMOIIXXOUJIKY-HMMYKYKNSA-N",6067081,NA,"PDBC21650","674575","Present",NA,NA
+"21651","3-[4-(5-Pyridin-3-yl-1,2-dihydropyrazol-3-ylidene)pyrazol-3-yl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-(3-Pyridin-3-yl-1H-pyrazol-5-yl)-1H-pyrazol-3-yl]pyridine",NA,"C1=CC(=CN=C1)C2=NNC(=C2)C3=CC(=NN3)C4=CN=CC=C4","YXPSFOLFJUQBTC-UHFFFAOYSA-N",340684,NA,"PDBC21651","371705","Present",NA,NA
+"21652","3-[4-(Carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(Carboxymethyl)anilino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"C1=CC(=CC=C1CC(=O)O)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","AZOAVMLDDAOPKA-UHFFFAOYSA-N",394500,NA,"PDBC21652","698045","Present",NA,NA
+"21653","3-[4-(Carboxymethyl)anilino]quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(Carboxymethyl)anilino]quinoxaline-2-carboxylic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)CC(=O)O)C(=O)O","YDXHXRJBDDRQCU-UHFFFAOYSA-N",394502,NA,"PDBC21653","698047","Present",NA,NA
+"21654","3-[4-(Furan-2-yl)phenyl]-2-hydroxycyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(furan-2-yl)phenyl)-7-hydroxycyclohepta-2,4,6-trien...",NA,"C1=CC(=C(C(=O)C=C1)O)C2=CC=C(C=C2)C3=CC=CO3","MQJZDDBEPDEJGY-UHFFFAOYSA-N",155814878,NA,"PDBC21654","794225","Present",NA,NA
+"21655","3-[4-(Methoxymethoxy)-3-nitrobenzyl]-1,7-dimethylxanthine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(methoxymethoxy)-3-nitrobenzyl]-1,7-dimethylxanthine",NA,"CN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC(=C(C=C3)OCOC)[N+](=O)[O-])C","YSIWODQTFLLYGO-UHFFFAOYSA-N",375308,NA,"PDBC21655","654825","Present",NA,NA
+"21656","3-[4-Amino-2-(4-methoxyanilino)-1,3-thiazole-5-carbonyl]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-Amino-2-[(4-methoxyphenyl)amino]thiazole-5-carbonyl]chromen-2-one",NA,"COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC4=CC=CC=C4OC3=O)N","KZYYEALEHBKQQQ-UHFFFAOYSA-N",399619,NA,"PDBC21656","710528","Present",NA,NA
+"21657","3-[4-Chloro-2-(2,6-dichlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-Chloro-2-(2,6-dichlorophenoxy)phenyl]-2-[[4-(2,4-dichlorophenoxy)phenoxy]methyl]-4-oxoquinazoline-6-sulfonic acid",NA,"C1=CC(=C(C(=C1)Cl)OC2=C(C=CC(=C2)Cl)N3C(=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)O)COC5=CC=C(C=C5)OC6=C(C=C(C=C6)Cl)Cl)Cl","OFYLAXRVTJPVSP-UHFFFAOYSA-N",403483,NA,"PDBC21657","718384","Present",NA,NA
+"21658","3-[4-Chloro-2-[3-(dimethylamino)propylsulfanyl]-5-methylphenyl]sulfonyl-1H-imidazol-2-one;propan-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-Chloro-2-[3-(dimethylamino)propylsulfanyl]-5-methylphenyl]sulfonyl-1H-imidazol-2-one;propan-2-ol;hydrochloride",NA,"CC1=CC(=C(C=C1Cl)SCCCN(C)C)S(=O)(=O)N2C=CNC2=O.CC(C)O.Cl","TVNQTZVFYILWHL-UHFFFAOYSA-N",387410,NA,"PDBC21658","681159","Present",NA,NA
+"21659","3-[4-Di(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methylphenyl(4,7-dihydroxy-2-oxo-2H-3-chromenyl)methyl]-4,7-dihydroxy-2H-2-chromenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[Bis(4,7-dihydroxy-2-oxochromen-3-yl)methyl]phenyl]-(4,7-dihydroxy-2-oxochromen-3-yl)methyl]-4,7-dihydroxychromen-2-one",NA,"C1=CC(=CC=C1C(C2=C(C3=C(C=C(C=C3)O)OC2=O)O)C4=C(C5=C(C=C(C=C5)O)OC4=O)O)C(C6=C(C7=C(C=C(C=C7)O)OC6=O)O)C8=C(C9=C(C=C(C=C9)O)OC8=O)O","ONHNUQYOYCJHED-UHFFFAOYSA-N",54680449,NA,"PDBC21659","682613","Present",NA,NA
+"21660","3-[4-[(1Z)-1-[1-(4-Bromophenyl)-2-(2-chloro-5-nitrophenyl)-5-oxoimidazol-4-ylidene]ethyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(1Z)-1-[1-(4-Bromophenyl)-2-(2-chloro-5-nitrophenyl)-5-oxoimidazol-4-ylidene]ethyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=C2C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)Br)C","VJTQQVLQQOABSX-RRAHZORUSA-N",3004303,NA,"PDBC21660","643740","Present",NA,NA
+"21661","3-[4-[(2-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(2-Ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-methylphenyl)-3-oxopropanamide",NA,"CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3C)C","BQJLMWGWNBUCGP-UHFFFAOYSA-N",386796,NA,"PDBC21661","679504","Present",NA,NA
+"21662","3-[4-[(3-Chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(3-Chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(C(C4=O)Cl)C5=CC=CS5","UDWLPMMZHQGEGO-UHFFFAOYSA-N",401283,NA,"PDBC21662","714538","Present",NA,NA
+"21663","3-[4-[(5-Hydroxynaphthalen-1-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(5-Hydroxynaphthalen-1-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)N=NC4=CC=CC5=C4C=CC=C5O","QKXYBSZYTXCELV-UHFFFAOYSA-N",135426749,NA,"PDBC21663","716036","Present",NA,NA
+"21664","3-[4-[(6-Hydroxynaphthalen-1-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(6-Hydroxynaphthalen-1-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)N=NC4=CC=CC5=C4C=CC(=C5)O","WUSCGUWAUJHDIH-UHFFFAOYSA-N",5472021,NA,"PDBC21664","716035","Present",NA,NA
+"21665","3-[4-[(Z)-[1-(4-Chlorophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(Z)-[1-(4-Chlorophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=C(C=C4)Cl","ITSQNWRVOSZRMQ-QOMWVZHYSA-N",5469990,NA,"PDBC21665","695302","Present",NA,NA
+"21666","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(2-methoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(2-methoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=CC=C4OC","FWMKECHRIXPLQY-ITYLOYPMSA-N",6477147,NA,"PDBC21666","640079","Present",NA,NA
+"21667","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(2-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(2-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,"CC1=CC=CC=C1N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","KDIBBBGDSOSEJZ-ITYLOYPMSA-N",5884855,NA,"PDBC21667","637919","Present",NA,NA
+"21668","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-chlorophenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-chlorophenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC(=CC=C4)Cl","DYQKZIIDINFTMG-YUMHPJSZSA-N",6477149,NA,"PDBC21668","640081","Present",NA,NA
+"21669","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-methoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-methoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,"COC1=CC=CC(=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","USLGWFPQIHJJBY-PKAZHMFMSA-N",5842580,NA,"PDBC21669","637918","Present",NA,NA
+"21670","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(3-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile",NA,"CC1=CC(=CC=C1)N2C(=NC(=CC3=C(C=C(C=C3)N(CCC#N)CCC#N)C)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","ASMQSVPFLBCFQD-VEILYXNESA-N",5931715,NA,"PDBC21670","640077","Present",NA,NA
+"21671","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(4-ethoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(4-ethoxyphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,"CCOC1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","KVJMMJMONKEMGQ-USHMODERSA-N",5935964,NA,"PDBC21671","640675","Present",NA,NA
+"21672","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(4-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-1-(4-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)-3-methylanilino]propanenitrile",NA,"CC1=CC=C(C=C1)N2C(=NC(=CC3=C(C=C(C=C3)N(CCC#N)CCC#N)C)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","JAUOMJPROXMKGB-VEILYXNESA-N",5903786,NA,"PDBC21672","640078","Present",NA,NA
+"21673","3-[4-[(Z)-[2-(2-Chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(E)-[2-(2-Chloro-5-nitrophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,"C1=CC(=CC=C1C=C2C(=O)OC(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)N(CCC#N)CCC#N","QASRRVDNZSJTFB-MOSHPQCFSA-N",6516747,NA,"PDBC21673","637916","Present",NA,NA
+"21674","3-[4-[({Z})-1-(4-Chlorophenyl)-2-(4-methoxyphenyl)but-1-enyl]phenoxy]-{N},{N}-dimethyl-propan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[({Z})-1-(4-chlorophenyl)-2-(4-methoxyphenyl)but-1-...",NA,"CCC(=C(C1=CC=C(C=C1)OCCCN(C)C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC","GUHQXKIKTJPSLP-BYYHNAKLSA-N",155806144,NA,"PDBC21674","802718","Present",NA,NA
+"21675","3-[4-[2,3-Dihydroxy-3-[4-[3-(trimethylazaniumyl)propoxy]phenyl]butan-2-yl]phenoxy]propyl-trimethylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[2,3-Dihydroxy-3-[4-[3-(trimethylazaniumyl)propoxy]phenyl]butan-2-yl]phenoxy]propyl-trimethylazanium;bromide",NA,"CC(C1=CC=C(C=C1)OCCC[N+](C)(C)C)(C(C)(C2=CC=C(C=C2)OCCC[N+](C)(C)C)O)O.[Br-]","PVBOGXCDAWEWKP-UHFFFAOYSA-M",367864,NA,"PDBC21675","638031","Present",NA,NA
+"21676","3-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCNC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C","UWSSOUWBBVTGHS-UHFFFAOYSA-N",276877,NA,"PDBC21676","125348","Present",NA,NA
+"21677","3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-(4-bromophenyl)propan-1-ol;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-(4-bromophenyl)propan-1-ol;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCC(C2=CC=C(C=C2)Br)O)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O","LHMKXQGONBMEBB-BTJKTKAUSA-N",5471964,NA,"PDBC21677","715599","Present",NA,NA
+"21678","3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]-1-phenylpropan-1-ol;(Z)-but-2-enedioic acid",NA,"C1CN(CCN1CCC(C2=CC=CC=C2)O)CCOC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.C(=CC(=O)O)C(=O)O","QPVIISQNMLAMGQ-BTJKTKAUSA-N",5471961,NA,"PDBC21678","715596","Present",NA,NA
+"21679","3-[4-[3-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with m-[4-[m-(4,6-diamino-2,...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC(=CC=C3)S(=O)(=O)F)N)N)C","IJKCUMMCYLPXPS-UHFFFAOYSA-N",277387,NA,"PDBC21679","126228","Present",NA,NA
+"21680","3-[4-[3-Chloro-2-(3-chlorophenyl)-4-oxoazetidin-1-yl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[3-Chloro-2-(3-chlorophenyl)-4-oxoazetidin-1-yl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)N4C(C(C4=O)Cl)C5=CC(=CC=C5)Cl","JLSMKKTURMJQEA-UHFFFAOYSA-N",5472397,NA,"PDBC21680","718381","Present",NA,NA
+"21681","3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-[(E)-styryl]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[4-(4-Oxo-2-phenyl-quinazolin-3-yl)phenyl]phenyl]-2-[(E)-styryl]thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C=CC2=CC=CC=C2)C3=CC=C(C=C3)C4=CC=C(C=C4)N5C(=NC6=CC=CC=C6C5=O)C7=CC=CC=C7","OEFHCAWGRLRQHL-BUVRLJJBSA-N",6283154,NA,"PDBC21681","674560","Present",NA,NA
+"21682","3-[4-[5-Oxo-6-(3-oxopentyl)imidazo[2,1-c][1,2,4]triazol-3-yl]butyl]-6-(3-oxopentyl)imidazo[2,1-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-Butane-1,4-diylbis[6-(3-oxopentyl)-5H-imidazo[2,1-c][1,2,4]triazol-5-one]",NA,"CCC(=O)CCC1=NC2=NN=C(N2C1=O)CCCCC3=NN=C4N3C(=O)C(=N4)CCC(=O)CC","NFJMPIGOBXSFJF-UHFFFAOYSA-N",367013,NA,"PDBC21682","636340","Present",NA,NA
+"21683","3-[4-[Diethoxyphosphoryl(difluoro)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[Diethoxyphosphoryl(difluoro)methyl]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid",NA,"CCOP(=O)(C(C1=CC=C(C=C1)CC(C(=O)O)NC(=O)OC(C)(C)C)(F)F)OCC","CYIRYOABMSXHDK-UHFFFAOYSA-N",378899,NA,"PDBC21683","662312","Present",NA,NA
+"21684","3-[4-[[3-Chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[[3-Chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]carbamoyl]phenyl]-2-methyl-4-oxoquinazoline-6-sulfonic acid",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)O)C(=O)N1C3=CC=C(C=C3)C(=O)NN4C(C(C4=O)Cl)C5=CC=CC=C5O","HEIWURDXGHJCIT-UHFFFAOYSA-N",401280,NA,"PDBC21684","714535","Present",NA,NA
+"21685","3-[4-[[4-[4-[[1-[3-(2-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-chlorophenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[[4-[4-[[1-[3-(2-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(2-chlorophenyl)-3-oxopropanamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C(=O)CC(=O)NC5=CC=CC=C5Cl)C)C(=O)CC(=O)NC6=CC=CC=C6Cl","GRDJGKGOFBCOEO-UHFFFAOYSA-N",385922,NA,"PDBC21685","677385","Present",NA,NA
+"21686","3-[4-[[4-[4-[[1-[3-(3-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(3-chlorophenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[[4-[4-[[1-[3-(3-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(3-chlorophenyl)-3-oxopropanamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C(=O)CC(=O)NC5=CC(=CC=C5)Cl)C)C(=O)CC(=O)NC6=CC(=CC=C6)Cl","WNXIJIPKGDMBAN-UHFFFAOYSA-N",385923,NA,"PDBC21686","677386","Present",NA,NA
+"21687","3-[4-[[4-[4-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[[4-[4-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(3-methoxyphenyl)-3-oxopropanamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C(=O)CC(=O)NC5=CC(=CC=C5)OC)C)C(=O)CC(=O)NC6=CC(=CC=C6)OC","LZRQRRSLSVSMLZ-UHFFFAOYSA-N",385928,NA,"PDBC21687","677391","Present",NA,NA
+"21688","3-[4-[[4-[4-[[1-[3-(4-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-chlorophenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[[4-[4-[[1-[3-(4-Chloroanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-chlorophenyl)-3-oxopropanamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C(=O)CC(=O)NC5=CC=C(C=C5)Cl)C)C(=O)CC(=O)NC6=CC=C(C=C6)Cl","OTMIPYWBWFHOEW-UHFFFAOYSA-N",385924,NA,"PDBC21688","677387","Present",NA,NA
+"21689","3-[4-[[4-[4-[[1-[3-(4-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[[4-[4-[[1-[3-(4-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]sulfonylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-3-oxopropanamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N=NC4C(=NN(C4=O)C(=O)CC(=O)NC5=CC=C(C=C5)OC)C)C(=O)CC(=O)NC6=CC=C(C=C6)OC","BIIOLFWQCLKOSV-UHFFFAOYSA-N",385929,NA,"PDBC21689","677392","Present",NA,NA
+"21690","3-[4-methoxyphenyl(imidazolidinil-1)]methane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-methoxyphenyl(imidazolidinil-1)]methane",NA,"COC1=CC=C(C=C1)N2CCN(C2)CN3CCN(C3)C4=CC=C(C=C4)OC","MKFDWUIPXPISCN-UHFFFAOYSA-N",6482347,NA,"PDBC21690","732250","Present",NA,NA
+"21691","3-[4]Quinolyl-2-hydroxyimino-propionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-Hydroxyimino-3-quinolin-4-ylpropanoic acid",NA,"C1=CC=C2C(=C1)C(=CC=N2)CC(=NO)C(=O)O","RQUIQZCARLEUHE-KAMYIIQDSA-N",6399128,NA,"PDBC21691","85359","Present",NA,NA
+"21692","3-[5,6-Bis(methylsulfanyl)-3-oxo-1,2,4-triazin-2-yl]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5,6-Bis(methylsulfanyl)-3-oxo-1,2,4-triazin-2-yl]propanenitrile",NA,"CSC1=NC(=O)N(N=C1SC)CCC#N","SOBJIRNJYUBYHI-UHFFFAOYSA-N",355930,NA,"PDBC21692","610686","Present",NA,NA
+"21693","3-[5-(1-Adamantylamino)-1,3,4-thiadiazol-2-yl]-1,1-dimethylthiourea;perchloric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-(1-Adamantylamino)-1,3,4-thiadiazol-2-yl]-1,1-dimethylthiourea;perchloric acid",NA,"CN(C)C(=S)NC1=NN=C(S1)NC23CC4CC(C2)CC(C4)C3.OCl(=O)(=O)=O","CXMIBXUKZSXCMO-UHFFFAOYSA-N",24202069,NA,"PDBC21693","622590","Present",NA,NA
+"21694","3-[5-(1H-Indol-3-yl)pyrazin-2-yl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-(1H-Indol-3-yl)pyrazin-2-yl]-1H-indole",NA,"C1=CC=C2C(=C1)C(=CN2)C3=CN=C(C=N3)C4=CNC5=CC=CC=C54","KENUOBFZYLZIHY-UHFFFAOYSA-N",396515,NA,"PDBC21694","702755","Present",NA,NA
+"21695","3-[5-(Butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-(Butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate",NA,"CCCCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)NCCCCCCNC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCCCC","WIHGURALTYKUFI-UHFFFAOYSA-N",364907,NA,"PDBC21695","631735","Present",NA,NA
+"21696","3-[5-(Cyclohexylamino)-1,3,4-thiadiazol-2-yl]-7-methyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-(Cyclohexylamino)-1,3,4-thiadiazol-2-yl]-7-methyl-1H-1,8-naphthyridin-4-one",NA,"CC1=NC2=C(C=C1)C(=O)C(=CN2)C3=NN=C(S3)NC4CCCCC4","JDAZQAOJCPPENO-UHFFFAOYSA-N",135426675,NA,"PDBC21696","706819","Present",NA,NA
+"21697","3-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)NCCCCCCNC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","WTNVAJZSWJKDEY-UHFFFAOYSA-N",361873,NA,"PDBC21697","625195","Present",NA,NA
+"21698","3-[5-Amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-Amino-3-(4-chlorophenyl)pyrazol-1-yl]-6-[(E)-2-(furan-2-yl)ethenyl]-4H-1,2,4-triazin-5-one",NA,"C1=COC(=C1)C=CC2=NN=C(NC2=O)N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N","PJEJGBLYEARDOH-BQYQJAHWSA-N",135968229,NA,"PDBC21698","748494","Present",NA,NA
+"21699","3-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-6,8-dibromo-2-methylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dibromo-2-methyl-3-[5?-amino6?(2?,3??-dichlorophenyl...",NA,"CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=NC(=C(N=N3)C4=C(C(=CC=C4)Cl)Cl)N","LGIDCUZTCRKVTG-UHFFFAOYSA-N",24204732,NA,"PDBC21699","732567","Present",NA,NA
+"21700","3-[5-Amino-6-(2,3-dichlorophenyl)-1,2,4-triazin-3-yl]-6,8-dibromo-2-phenylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dibromo-2-phenyl-3-[5?-amino6?(2??,3??-dichloropheny...",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3Br)Br)C(=O)N2C4=NC(=C(N=N4)C5=C(C(=CC=C5)Cl)Cl)N","OGIVUQPWHFTLAU-UHFFFAOYSA-N",24204733,NA,"PDBC21700","732568","Present",NA,NA
+"21701","3-[5-[2-[4-[4-[5-[2-(3-Cyanophenyl)-1,3-dioxo-isoindoline-5-carbonyl]-1,3-dioxo-isoindolin-2-yl]phenoxy]phenyl]-1,3-dioxo-isoindoline-5-carbonyl]-1,3-dioxo-indan-2-yl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-[2-[4-[4-[5-[2-(3-Cyanophenyl)-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoisoindol-2-yl]phenoxy]phenyl]-1,3-dioxoisoindole-5-carbonyl]-1,3-dioxoinden-2-yl]benzonitrile",NA,"C1=CC(=CC(=C1)C2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)OC7=CC=C(C=C7)N8C(=O)C9=C(C8=O)C=C(C=C9)C(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C1=CC=CC(=C1)C#N)C#N","HGXCJEIDLJPTNO-UHFFFAOYSA-N",16129765,NA,"PDBC21701","633249","Present",NA,NA
+"21702","3-[5-[4-[4-[2-(3-Cyanophenyl)-1,3-dioxo-4,6,7-triphenyl-isoindolin-5-yl]phenyl]sulfanylphenyl]-1,3-dioxo-4,6,7-triphenyl-isoindolin-2-yl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-(6,6'-(4,4'-thiobis(4,1-phenylene))bis(1,3-dioxo-4,...",NA,"C1=CC=C(C=C1)C2=C(C3=C(C(=C2C4=CC=C(C=C4)SC5=CC=C(C=C5)C6=C(C7=C(C(=C6C8=CC=CC=C8)C9=CC=CC=C9)C(=O)N(C7=O)C1=CC=CC(=C1)C#N)C1=CC=CC=C1)C1=CC=CC=C1)C(=O)N(C3=O)C1=CC=CC(=C1)C#N)C1=CC=CC=C1","VEPYENJITXQEIM-UHFFFAOYSA-N",16129764,NA,"PDBC21702","633248","Present",NA,NA
+"21703","3-[6,13-Dichloro-3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[6,13-Dichloro-3-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(2-hydroxyphenyl)-1,3-thiazolidin-4-one",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC4=C(C=C3)N=C5C(=C(C6=NC7=C(C=C(C=C7)N8C(SCC8=O)C9=CC=CC=C9O)OC6=C5Cl)Cl)O4","FPEDOGBHCJYZEI-UHFFFAOYSA-N",400979,NA,"PDBC21703","713672","Present",NA,NA
+"21704","3-[6,13-Dichloro-3-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[6,13-Dichloro-3-[2-(3-ethoxy-4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-[1,4]benzoxazino[2,3-b]phenoxazin-10-yl]-2-(3-ethoxy-4-hydroxyphenyl)-1,3-thiazolidin-4-one",NA,"CCOC1=C(C=CC(=C1)C2N(C(=O)CS2)C3=CC4=C(C=C3)N=C5C(=C(C6=NC7=C(C=C(C=C7)N8C(SCC8=O)C9=CC(=C(C=C9)O)OCC)OC6=C5Cl)Cl)O4)O","RGLGTQXNYMVLFA-UHFFFAOYSA-N",400980,NA,"PDBC21704","713673","Present",NA,NA
+"21705","3-[6-(2-Amino-ethyl)-dibenzofuran-4-yl]-N-isobutyl-propionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[6-(2-Amino-ethyl)-dibenzofuran-4-yl]-N-isobutyl-propionamide",NA,"CC(C)CNC(=O)CCC1=C2C(=CC=C1)C3=CC=CC(=C3O2)CCN","YTCNYFLFSXWAPC-UHFFFAOYSA-N",380926,NA,"PDBC21705","666712","Present",NA,NA
+"21706","3-[6-(2-Carboxyethyl)dibenzofuran-4-yl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[6-(2-Carboxyethyl)dibenzofuran-4-yl]propanoic acid",NA,"C1=CC(=C2C(=C1)C3=CC=CC(=C3O2)CCC(=O)O)CCC(=O)O","VMOREDRCSHIRTH-UHFFFAOYSA-N",375820,NA,"PDBC21706","655984","Present",NA,NA
+"21707","3-[6-(3-Methylbut-2-enylamino)purin-9-yl]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-cyanoethyl)-",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC#N)C","VWDAYOHDHUOCLA-UHFFFAOYSA-N",383738,NA,"PDBC21707","672176","Present",NA,NA
+"21708","3-[6-(3-Methylbut-2-enylamino)purin-9-yl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-carboxyeth...",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)O)C","UKBRJXMGUKBDLF-UHFFFAOYSA-N",383737,NA,"PDBC21708","672175","Present",NA,NA
+"21709","3-[6-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)hexyl]-5,5-dimethylimidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Imidazolidinedione, 3,3'-(1,6-hexanediyl)bis[5,5-dim...",NA,"CC1(C(=O)N(C(=O)N1)CCCCCCN2C(=O)C(NC2=O)(C)C)C","XEZOLQPJVQQSAG-UHFFFAOYSA-N",342023,NA,"PDBC21709","376791","Present",NA,NA
+"21710","3-[6-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[6-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one",NA,"COC1=CC=C(C=C1)C2=NC(=CC(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC5=CC=CC=C5OC4=O","WWPDWKGWRGAPEM-UHFFFAOYSA-N",388291,NA,"PDBC21710","682932","Present",NA,NA
+"21711","3-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]phenol",NA,"C1=CC(=CC(=C1)O)C2=CN3C=C(C=CC3=N2)C(F)(F)F","GKPCPOYJDIZXPA-UHFFFAOYSA-N",398313,NA,"PDBC21711","708027","Present",NA,NA
+"21712","3-[6-Bromo-3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[6-Bromo-3-(2-hydroxyethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanenitrile",NA,"C1=CC2=C(C=C1Br)C(=O)N(C(=N2)CCC#N)CCO","VGHSZGZMFDMBAW-UHFFFAOYSA-N",369097,NA,"PDBC21712","640654","Present",NA,NA
+"21713","3-[6-Bromo-3-(4-hydroxy-3-nitrophenyl)-4-oxoquinazolin-2-yl]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[6-Bromo-3-(4-hydroxy-3-nitrophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]propanenitrile",NA,"C1=CC(=C(C=C1N2C(=NC3=C(C2=O)C=C(C=C3)Br)CCC#N)[N+](=O)[O-])O","LLVDWEPHMMHOJA-UHFFFAOYSA-N",369095,NA,"PDBC21713","640652","Present",NA,NA
+"21714","3-[6-Methoxy-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[6-Methoxy-2-[1-(4-methylphenyl)sulfonylindol-3-yl]pyrimidin-4-yl]-1-(4-methylphenyl)sulfonylindole",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4=CC(=NC(=N4)C5=CN(C6=CC=CC=C65)S(=O)(=O)C7=CC=C(C=C7)C)OC","ALKGPGIAFUSYDZ-UHFFFAOYSA-N",400427,NA,"PDBC21714","712006","Present",NA,NA
+"21715","3-[7-((1E,3E)Penta-1,3-dienyl)-1-benzothiazol-2-yl-3-chloro-2-oxo-1,5,6-triaza spiro[3.4]oct-6-en-5-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[1-(1,3-Benzothiazol-2-yl)-3-chloro-2-oxo-6-[(1E,3E)-penta-1,3-dienyl]-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,"CC=CC=CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=CC=C5)S(=O)(=O)O","PIRADKYJXAYBLE-CRBCFSCISA-N",5470713,NA,"PDBC21715","704641","Present",NA,NA
+"21716","3-[7-(5-Oxo-6-phenacyl-imidazo[2,1-c][1,2,4]triazol-3-yl)heptyl]-6-phenacyl-imidazo[2,1-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[7-(5-Oxo-6-phenacylimidazo[2,1-c][1,2,4]triazol-3-yl)heptyl]-6-phenacylimidazo[2,1-c][1,2,4]triazol-5-one",NA,"C1=CC=C(C=C1)C(=O)CC2=NC3=NN=C(N3C2=O)CCCCCCCC4=NN=C5N4C(=O)C(=N5)CC(=O)C6=CC=CC=C6","ZZSIXILZILTFBD-UHFFFAOYSA-N",362246,NA,"PDBC21716","625850","Present",NA,NA
+"21717","3-[7-[5-Oxo-6-[2-oxo-2-(p-tolyl)ethyl]imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]-6-[2-oxo-2-(p-tolyl)ethyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(4-Methylphenyl)-2-oxoethyl]-3-[7-[6-[2-(4-methylphenyl)-2-oxoethyl]-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,"CC1=CC=C(C=C1)C(=O)CC2=NC3=NN=C(N3C2=O)CCCCCCCC4=NN=C5N4C(=O)C(=N5)CC(=O)C6=CC=C(C=C6)C","NDPWTKVYCANXMB-UHFFFAOYSA-N",362249,NA,"PDBC21717","625853","Present",NA,NA
+"21718","3-[8-(4-Amino-5-hydrazino-1,2,4-triazol-3-yl)octyl]-5-hydrazino-1,2,4-triazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[8-(4-Amino-5-hydrazino-1,2,4-triazol-3-yl)octyl]-5-hydrazino-1,2,4-triazol-4-amine",NA,"C(CCCCC1=NN=C(N1N)NN)CCCC2=NN=C(N2N)NN","OMQKBBRUTWVHCJ-UHFFFAOYSA-N",394057,NA,"PDBC21718","697175","Present",NA,NA
+"21719","3-[8-(6,7-Diphenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)octyl]-6,7-diphenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[8-(6,7-Diphenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)octyl]-6,7-diphenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"C1=CC=C(C=C1)C2=C(SC3=NN=C(N3N2)CCCCCCCCC4=NN=C5N4NC(=C(S5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","WEEBVKKSQDDMNU-UHFFFAOYSA-N",395657,NA,"PDBC21719","700439","Present",NA,NA
+"21720","3-[8-(6-Anilino-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl]-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[8-(6-Anilino-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl]-N-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine",NA,"C1=CC=C(C=C1)NC2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)NC6=CC=CC=C6","VFXGYUCKBRMGPJ-UHFFFAOYSA-N",395659,NA,"PDBC21720","700441","Present",NA,NA
+"21721","3-[8-(6-Oxo-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)octyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[8-(6-Oxo-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl)octyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one",NA,"C1C(=O)NN2C(=NN=C2S1)CCCCCCCCC3=NN=C4N3NC(=O)CS4","RKUNVAUSIPLTTG-UHFFFAOYSA-N",395658,NA,"PDBC21721","700440","Present",NA,NA
+"21722","3-[8-(6-Thioxo-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[8-(6-Sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione",NA,"C(CCCCC1=NN=C2N1NC(=S)S2)CCCC3=NN=C4N3NC(=S)S4","MPOOMERQSHBQMG-UHFFFAOYSA-N",3005440,NA,"PDBC21722","700444","Present",NA,NA
+"21723","3-[8-(Tritylthio)octyl]-10-ethylbenzo[g]pteridine-2,4(3H,10H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[8-(Tritylthio)octyl]-10-ethylbenzo[g]pteridine-2,4(3H,10H)-dione",NA,"CCN1C2=CC=CC=C2N=C3C1=NC(=O)N(C3=O)CCCCCCCCSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","TUGPXUWGMWKRPZ-UHFFFAOYSA-N",400770,NA,"PDBC21723","713201","Present",NA,NA
+"21724","3-[8-[4-Amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]octyl]-5-(phenoxymethyl)-1,2,4-triazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[8-[4-Amino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]octyl]-5-(phenoxymethyl)-1,2,4-triazol-4-amine",NA,"C1=CC=C(C=C1)OCC2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)COC4=CC=CC=C4","JINXHBZHRLEDRG-UHFFFAOYSA-N",394042,NA,"PDBC21724","697160","Present",NA,NA
+"21725","3-[8-[4-Amino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[8-[4-amino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-4-amine",NA,"C1=CC(=C(C=C1Cl)Cl)OCC2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)COC4=C(C=C(C=C4)Cl)Cl","IUCBPPSDEQOVHN-UHFFFAOYSA-N",394046,NA,"PDBC21725","697164","Present",NA,NA
+"21726","3-[8-[4-Amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[8-[4-amino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-4-amine",NA,"C1=CC(=CC=C1OCC2=NN=C(N2N)CCCCCCCCC3=NN=C(N3N)COC4=CC=C(C=C4)Cl)Cl","NASDCQVYKOBYIL-UHFFFAOYSA-N",394043,NA,"PDBC21726","697161","Present",NA,NA
+"21727","3-[8-[4-Anilino-5-(phenoxymethyl)-1,2,4-triazol-3-yl]octyl]-5-(phenoxymethyl)-N-phenyl-1,2,4-triazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,2,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-(ph...",NA,"C1=CC=C(C=C1)NN2C(=NN=C2COC3=CC=CC=C3)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=CC=CC=C6","WUGBJQZFEUEUFD-UHFFFAOYSA-N",394047,NA,"PDBC21727","697165","Present",NA,NA
+"21728","3-[8-[4-Anilino-5-[(2,4-dichlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(2,4-dichlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,2,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(2...",NA,"C1=CC=C(C=C1)NN2C(=NN=C2COC3=C(C=C(C=C3)Cl)Cl)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=C(C=C(C=C6)Cl)Cl","VCMQJXCLTUZMHR-UHFFFAOYSA-N",394051,NA,"PDBC21728","697169","Present",NA,NA
+"21729","3-[8-[4-Anilino-5-[(4-chlorophenoxy)methyl]-1,2,4-triazol-3-yl]octyl]-5-[(4-chlorophenoxy)methyl]-N-phenyl-1,2,4-triazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,2,4-Triazol-4-amine, 3,3'-(1,8-octanediyl)bis[5-[(4...",NA,"C1=CC=C(C=C1)NN2C(=NN=C2COC3=CC=C(C=C3)Cl)CCCCCCCCC4=NN=C(N4NC5=CC=CC=C5)COC6=CC=C(C=C6)Cl","RQIVURUKFMFAAP-UHFFFAOYSA-N",394048,NA,"PDBC21729","697166","Present",NA,NA
+"21730","3-[8-[6-(4-Chloroanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-N-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[8-[6-(4-Chloroanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-N-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine",NA,"C1=CC(=CC=C1NC2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)NC6=CC=C(C=C6)Cl)Cl","CUHCBIQTRVLAJG-UHFFFAOYSA-N",395660,NA,"PDBC21730","700442","Present",NA,NA
+"21731","3-[9H-2-Fluorenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-4-hydroxy-2H-2-chromenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[9H-2-Fluorenyl(4-hydroxy-2-oxo-2H-3-chromenyl)methyl]-4-hydroxy-2H-2-chromenone",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O","ISHMDZQJPXVGLT-UHFFFAOYSA-N",54714088,NA,"PDBC21731","686381","Present",NA,NA
+"21732","3-[9H-Fluoren-9-yl(hydroxy)methyl]tetrahydrofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(9H-Fluoren-9-yl(hydroxy)methyl)dihydro-2(3H)-furanone",NA,"C1COC(=O)C1C(C2C3=CC=CC=C3C4=CC=CC=C24)O","GQQADQLODLQGSB-UHFFFAOYSA-N",366016,NA,"PDBC21732","634189","Present",NA,NA
+"21733","3-[?]ylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[?]ylpropanoic acid",NA,"C1CC2=C3C(=CC=C2)OC=C3C1CCC(=O)O","UGOKXWIGENSUOJ-UHFFFAOYSA-N",361682,NA,"PDBC21733","624900","Present",NA,NA
+"21734","3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-1-phenyl-pyrrolidine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-1-phenyl-pyrrolidine-2,5-dione",NA,"CC(=C1C(=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C(=O)N(C1=O)C4=CC=CC=C4)C","HZVZOIAQIBQJMQ-UHFFFAOYSA-N",395502,NA,"PDBC21734","700144","Present",NA,NA
+"21735","3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-tetrahydrofuran-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Bis(4-methoxyphenyl)methylene]-4-isopropylidene-tetrahydrofuran-2,5-dione",NA,"CC(=C1C(=C(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C(=O)OC1=O)C","AQYNSYRKHHCPQT-UHFFFAOYSA-N",395501,NA,"PDBC21735","700143","Present",NA,NA
+"21736","3-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Bis[2-bromoethyl(methyl)amino]phosphoryloxymethyl]-5-methoxy-1-methylindole-4,7-dione",NA,"CN1C=C(C2=C1C(=O)C=C(C2=O)OC)COP(=O)(N(C)CCBr)N(C)CCBr","NQSXPHLHXDBWLU-UHFFFAOYSA-N",403578,NA,"PDBC21736","718631","Present",NA,NA
+"21737","3-[Hydroxy(diphenyl)methyl]-1-methylazepan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Hydroxy(diphenyl)methyl]-1-methylazepan-2-one",NA,"CN1CCCCC(C1=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O","TXISTBPTBHCNLE-UHFFFAOYSA-N",224701,NA,"PDBC21737","13413","Present",NA,NA
+"21738","3-[Hydroxy(phenyl)methyl]-4-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Hydroxy(phenyl)methyl]-4-methoxyphenol",NA,"COC1=C(C=C(C=C1)O)C(C2=CC=CC=C2)O","LPDCCORFMGTDFO-UHFFFAOYSA-N",358266,NA,"PDBC21738","618209","Present",NA,NA
+"21739","3-[Methyl-[(E)-(4-nitrophenyl)azo]amino]-1-phenyl-butan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Methyl-(4-nitrophenyl)azo-amino]-1-phenyl-butan-2-ol",NA,"CC(C(CC1=CC=CC=C1)O)N(C)N=NC2=CC=C(C=C2)[N+](=O)[O-]","GTBBQYABAALZEK-UHFFFAOYSA-N",388606,NA,"PDBC21739","683614","Present",NA,NA
+"21740","3-[Methyl-[(E)-p-tolylazo]amino]-1-phenyl-butan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Methyl-[(E)-p-tolylazo]amino]-1-phenyl-butan-2-ol",NA,"CC1=CC=C(C=C1)N=NN(C)C(C)C(CC2=CC=CC=C2)O","VVNKOIGMSSUKMZ-UHFFFAOYSA-N",388609,NA,"PDBC21740","683617","Present",NA,NA
+"21741","3-[N-(2-Chlorophenyl)-C-methylcarbonimidoyl]-6-methylpyran-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Chlorophenyl)-C-methylcarbonimidoyl]-6-methylpyran-2,4-dione",NA,"CC1=CC(=O)C(C(=O)O1)C(=NC2=CC=CC=C2Cl)C","DYTDUQSKICCVIN-UHFFFAOYSA-N",233841,NA,"PDBC21741","32892","Present",NA,NA
+"21742","3-[N-(2-Cyanoethyl)-3-methyl-4-[(Z)-[2-oxo-6-[(E)-2-phenylethenyl]-1,3,5-oxadiazin-4-ylidene]methyl]anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Cyanoethyl)-3-methyl-4-[(Z)-[2-oxo-6-[(E)-2-phenylethenyl]-1,3,5-oxadiazin-4-ylidene]methyl]anilino]propanenitrile",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2NC(=O)OC(=N2)C=CC3=CC=CC=C3","ZQLVUHYJQDNSCP-FKECCLLJSA-N",5817610,NA,"PDBC21742","645677","Present",NA,NA
+"21743","3-[N-(2-Cyanoethyl)-4-[(4-methoxyphenyl)iminomethyl]anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Cyanoethyl)-4-[(4-methoxyphenyl)iminomethyl]anilino]propanenitrile",NA,"COC1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)CCC#N","ZBUQTHHDOXDXHP-UHFFFAOYSA-N",359415,NA,"PDBC21743","620278","Present",NA,NA
+"21744","3-[N-(2-Cyanoethyl)-4-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Cyanoethyl)-4-[(Z)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]anilino]propanenitrile",NA,"C1=CC=C(C=C1)C2=CSC(=N2)N=CC3=CC=C(C=C3)N(CCC#N)CCC#N","MSFIHEKOJIPLNC-XYGWBWBKSA-N",5907853,NA,"PDBC21744","620281","Present",NA,NA
+"21745","3-[N-(2-Cyanoethyl)-4-[(Z)-(5-oxo-1,2-diphenylimidazol-4-ylidene)methyl]anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Cyanoethyl)-4-[(Z)-(5-oxo-1,2-diphenylimidazol-4-ylidene)methyl]anilino]propanenitrile",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=CC=C4","NMSNVNLTVZSUAG-QLYXXIJNSA-N",5469989,NA,"PDBC21745","695301","Present",NA,NA
+"21746","3-[N-(2-Cyanoethyl)-4-[(Z)-(5-oxo-2-phenyl-1-pyridin-2-ylimidazol-4-ylidene)methyl]anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Cyanoethyl)-4-[(Z)-(5-oxo-2-phenyl-1-pyridin-2-ylimidazol-4-ylidene)methyl]anilino]propanenitrile",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=CC=N4","NSZFVRXMUOVWEJ-GFMRDNFCSA-N",5469997,NA,"PDBC21746","695309","Present",NA,NA
+"21747","3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=C(C=C4)N(CCC#N)CCC#N)C3=O)C5=CC=CC=C5","PLQKSBPGBSUBMF-FAJYDZGRSA-N",5469996,NA,"PDBC21747","695308","Present",NA,NA
+"21748","3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(2,4-dimethoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(2,4-dimethoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile",NA,"COC1=CC(=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=CC=CC=C4)OC","AKUPYLFIKSGZOY-QOMWVZHYSA-N",5469993,NA,"PDBC21748","695305","Present",NA,NA
+"21749","3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(4-fluorophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(4-fluorophenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=C(C=C4)F","ZOTSPDQXBLNGBU-QOMWVZHYSA-N",5469991,NA,"PDBC21749","695303","Present",NA,NA
+"21750","3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Cyanoethyl)-4-[(Z)-[1-(4-methoxyphenyl)-5-oxo-2-phenylimidazol-4-ylidene]methyl]anilino]propanenitrile",NA,"COC1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=CC=CC=C4","QNQGZUPGDGSAOD-MEFGMAGPSA-N",5469992,NA,"PDBC21750","695304","Present",NA,NA
+"21751","3-[N-(2-Cyanoethyl)-4-[(Z)-[2-[(2,4-dichlorophenoxy)methyl]-1-(4-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]anilino]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(2-Cyanoethyl)-4-[(Z)-[2-[(2,4-dichlorophenoxy)methyl]-1-(4-methylphenyl)-5-oxoimidazol-4-ylidene]methyl]anilino]propanenitrile",NA,"CC1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)COC4=C(C=C(C=C4)Cl)Cl","HRCIFKFXGDARFG-IMRQLAEWSA-N",5912538,NA,"PDBC21751","644471","Present",NA,NA
+"21752","3-[Tert-butyl(dimethyl)silyl]oxy-2-(2-pyridyl)tetrahydrofuran-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Tert-butyl(dimethyl)silyl]oxy-2-(2-pyridyl)tetrahydrofuran-2-ol",NA,"CC(C)(C)[Si](C)(C)OC1CCOC1(C2=CC=CC=N2)O","PUSAAHHPPYTCSM-UHFFFAOYSA-N",389896,NA,"PDBC21752","686532","Present",NA,NA
+"21753","3-[Tert-butyl(diphenyl)silyl]oxyoxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9620-EP2308872A1",NA,"CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CCOC3=O","FGDFCPQKZXVVEX-UHFFFAOYSA-N",357852,NA,"PDBC21753","617384","Present",NA,NA
+"21754","3-[[(1-Hydroxy-2-naphthyl)amino]methyl]-5-[8-[4-[[(1-hydroxy-2-naphthyl)amino]methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[(1-Hydroxynaphthalen-2-yl)amino]methyl]-5-[8-[4-[[(1-hydroxynaphthalen-2-yl)amino]methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione",NA,"C1=CC=C2C(=C1)C=CC(=C2O)NCN3C(=S)OC(=N3)CCCCCCCCC4=NN(C(=S)O4)CNC5=C(C6=CC=CC=C6C=C5)O","QHIHDQLWUGTJOO-UHFFFAOYSA-N",394061,NA,"PDBC21754","697179","Present",NA,NA
+"21755","3-[[(1R,4As)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-chloro-5-methoxycyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[(1R,4As)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl]-2-chloro-5-methoxycyclohexa-2,5-diene-1,4-dione",NA,"CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)Cl)CCCC2=C)C","MHDMYMGQUJRUSW-VGFITYGFSA-N",396513,NA,"PDBC21755","702734","Present",NA,NA
+"21756","3-[[(1R,8Aalpha)-1,2beta,4abeta-Trimethyl-5beta-[6-(tert-butoxycarbonylamino)hexanoyloxymethyl]decahydronaphthalene-1alpha-yl]methyl]-2-hydroxy-5-methoxy-2,5-cyclohexadiene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4As,5R,6S,8aS)-5-[(2-hydroxy-5-methoxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methyl 6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoat",NA,"CC1CCC2(C(CCCC2C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)COC(=O)CCCCCNC(=O)OC(C)(C)C)C","LUGULHGEZSTGPG-HYVDHHNWSA-N",402194,NA,"PDBC21756","716061","Present",NA,NA
+"21757","3-[[(2-Hydroxy-1-naphthyl)amino]methyl]-5-[8-[4-[[(2-hydroxy-1-naphthyl)amino]methyl]-5-thioxo-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[(2-Hydroxynaphthalen-1-yl)amino]methyl]-5-[8-[4-[[(2-hydroxynaphthalen-1-yl)amino]methyl]-5-sulfanylidene-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazole-2-thione",NA,"C1=CC=C2C(=C1)C=CC(=C2NCN3C(=S)OC(=N3)CCCCCCCCC4=NN(C(=S)O4)CNC5=C(C=CC6=CC=CC=C65)O)O","KEVVZHRAMSVWBI-UHFFFAOYSA-N",394062,NA,"PDBC21757","697180","Present",NA,NA
+"21758","3-[[(2S)-7-(3,5-Dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methyl-2-phenyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-8-hydroxy-15-methyl-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[h][1]benzopyrano[5,4,3-cde][1]benzopyran-5,12-dion...",NA,"CC1C(C(C(C(O1)OC2C3C(C(OC2OC4=CC=CC5=C4C6=C7C8=C(C=CC(=C8C(=O)O6)C)OC(=O)C7=C5O)C)OC(O3)C9=CC=CC=C9)O)OC)O","XVSHGAAPBNVZEJ-YTTHPEARSA-N",5388861,NA,"PDBC21758","639831","Present",NA,NA
+"21759","3-[[(3S,8R,10R,13S,17E)-17-(2-Cyanoethoxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[(3S,8R,10R,13S,17E)-17-(2-Cyanoethoxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]propanenitrile",NA,"CC12CCC3C(C1CCC2=NOCCC#N)CC=C4C3(CCC(C4)OCCC#N)C","AGLFPKUPDNYHTN-ATPKZKKUSA-N",9569957,NA,"PDBC21759","629226","Present",NA,NA
+"21760","3-[[(4Z)-4-[[4-(Dimethylamino)phenyl]methylidene]-1-methylpyrazolo[1,5-a]indol-1-ium-2-yl]carbamoylamino]propyl-trimethylazanium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Dimethylaminobenzyliden-1-methyl-2-[N'-(3-trimethyl...",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)NC(=O)NCCC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]","NAJFCNNHHYEWOY-XTMYEIJHSA-O",5472695,NA,"PDBC21760","720793","Present",NA,NA
+"21761","3-[[(5,6,7,8-Tetrahydronaphthalene-2-yl)oxy]methyl]-6-(2-hydroxy-5-chlorophenyl)-7H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-[3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]phenol",NA,"C1CCC2=C(C1)C=CC(=C2)OCC3=NN=C4N3N=C(CS4)C5=C(C=CC(=C5)Cl)O","NHCROEAXFXFFMC-UHFFFAOYSA-N",402901,NA,"PDBC21761","717218","Present",NA,NA
+"21762","3-[[(E)-[2-(1,3-Dioxoisoindolin-2-yl)-1-methyl-ethylidene]amino]sulfamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[(E)-[2-(1,3-Dioxoisoindolin-2-yl)-1-methyl-ethylidene]amino]sulfamoyl]benzoic acid",NA,"CC(=NNS(=O)(=O)C1=CC=CC(=C1)C(=O)O)CN2C(=O)C3=CC=CC=C3C2=O","SARVTTPZBNPTSE-YBFXNURJSA-N",9555861,NA,"PDBC21762","643509","Present",NA,NA
+"21763","3-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[(Z)-2-Benzamido-3-(4-dimethylaminophenyl)prop-2-enoyl]amino]-N-(3-hydroxypropyl)benzamide",NA,"CN(C)C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC(=C2)C(=O)NCCCO)NC(=O)C3=CC=CC=C3","MGGVELXUGLBXKY-BWAHOGKJSA-N",6477541,NA,"PDBC21763","686414","Present",NA,NA
+"21764","3-[[1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[1-(3,4-Dimethoxyphenyl)-4-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile",NA,"COC1=C(C=C(C=C1)N2C=C(N=C2SCC3=CC(=CC=C3)C#N)C4=CC(=C(C(=C4)OC)OC)OC)OC","GRAPVSUTNMYFDM-UHFFFAOYSA-N",45027924,NA,"PDBC21764","740131","Present",NA,NA
+"21765","3-[[1-[2-[[1-[1-(2-Aminoacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[1-[[1-[2-[[2-[(1-amino-5-methylsulfanyl-1-oxopentan-2-yl)amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[1-[2-[[1-[1-(2-Aminoacetyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-[[1-[[1-[[1-[2-[[2-[(1-amino-5-methylsulfanyl-1-oxopentan-2-yl)am",NA,"CSCCCC(C(=O)N)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C4CCCN4C(=O)C(CC(=O)O)NC(=O)C5CCCN5C(=O)C6CCCN6C(=O)CN","OVWLVQFNMDDXAT-UHFFFAOYSA-N",398170,NA,"PDBC21765","707762","Present",NA,NA
+"21766","3-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxopyrazolidin-4-yl]diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-3-methyl-5-oxopyrazolidin-4-yl]diazenyl]benzoic acid",NA,"CC1C(C(=O)N(N1)C(=O)CC(=O)NC2=CC(=CC=C2)OC)N=NC3=CC=CC(=C3)C(=O)O","TYEJEAXUAYHKNK-UHFFFAOYSA-N",357542,NA,"PDBC21766","617006","Present",NA,NA
+"21767","3-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-5-oxo-3-phenylpyrazolidin-4-yl]diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[1-[3-(3-Methoxyanilino)-3-oxopropanoyl]-5-oxo-3-phenylpyrazolidin-4-yl]diazenyl]benzoic acid",NA,"COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(=O)C(C(N2)C3=CC=CC=C3)N=NC4=CC=CC(=C4)C(=O)O","AKGOVXFIVQEQNZ-UHFFFAOYSA-N",357543,NA,"PDBC21767","617007","Present",NA,NA
+"21768","3-[[1-[[2-[(2,4-Diamino-4-oxo-butanoyl)amino]-3-phenyl-propanoyl]amino]-2-phenyl-ethyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxo-propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[1-[[2-[(2,4-Diamino-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]-2-phenylethyl]amino]-2-(1H-indol-3-ylmethyl)-3-oxopropanoic acid",NA,"C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)C(=O)O)NC(=O)C(CC(=O)N)N","MNHAQCQVNUIAMJ-UHFFFAOYSA-N",383887,NA,"PDBC21768","672668","Present",NA,NA
+"21769","3-[[2,5-Dichloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[2,5-Dichloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione",NA,"C1=C(C(=CC(=C1Cl)OCC2=NN=C3N2NC(=S)S3)Cl)OCC4=NN=C5N4NC(=S)S5","WWRCXWYAGRLPMB-UHFFFAOYSA-N",5472203,NA,"PDBC21769","716899","Present",NA,NA
+"21770","3-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((2,6-diamino-5-(3,4-dichlorophenyl)pyrimidin-4 -l)met...",NA,"C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)C#N","JTFFQGZOZGTMJE-UHFFFAOYSA-N",420881,NA,"PDBC21770","128580","Present",NA,NA
+"21771","3-[[2-(Tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[2-(Tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]propanoic acid",NA,"CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCC(=O)O","KDVDUAFCAVHBSP-UHFFFAOYSA-N",382303,NA,"PDBC21771","669765","Present",NA,NA
+"21772","3-[[2-Chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[2-Chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC(=CC=C1C2=NN3C(=NN=C3S2)COC4=CC(=C(C=C4)OCC5=NN=C6N5N=C(S6)C7=CC=C(C=C7)Cl)Cl)Cl","MWETUFCHBXNFAK-UHFFFAOYSA-N",402701,NA,"PDBC21772","716889","Present",NA,NA
+"21773","3-[[2-Tert-butyl-5-chloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[2-Tert-butyl-5-chloro-4-[(6-sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione",NA,"CC(C)(C)C1=CC(=C(C=C1OCC2=NN=C3N2NC(=S)S3)Cl)OCC4=NN=C5N4NC(=S)S5","IQVCQBDEJOCGLL-UHFFFAOYSA-N",5472202,NA,"PDBC21773","716895","Present",NA,NA
+"21774","3-[[2-Tert-butyl-5-chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[2-Tert-butyl-5-chloro-4-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"CC(C)(C)C1=CC(=C(C=C1OCC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)Cl)Cl)OCC5=NN=C6N5N=C(S6)C7=CC=C(C=C7)Cl","KHDWKMJGYNIYPT-UHFFFAOYSA-N",402705,NA,"PDBC21774","716893","Present",NA,NA
+"21775","3-[[2-[(Methylaminosulfonyl)amino]-3-fluoropyridin-4-yl]methyl]-4-methyl-7-[(pyrimidin-2-yl)oxy]-2H-1-benzopyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RO-5126766///NSC800871",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2)OC3=NC=CC=N3)CC4=C(C(=NC=C4)NS(=O)(=O)NC)F","LMMJFBMMJUMSJS-UHFFFAOYSA-N",16719221,NA,"PDBC21775","758248///800871","Present",NA,NA
+"21776","3-[[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]acetyl]amino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=CC(=CC=C3)S(=O)(=O)F)Cl)N)N)C","DDOKKHKXCQHQHZ-UHFFFAOYSA-N",274714,NA,"PDBC21776","120919","Present",NA,NA
+"21777","3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-Acetamido-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]acetyl]amino]-4-[[5-amino-1-[[6-amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[(2-Acetamido-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hyd",NA,"CC(=O)NC(CS)C(=O)NC(CO)C(=O)NC(CO)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CC6=CNC=N6)C(=O)NC(CO)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NCC(=O)NCC(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(CC9=CC=CC=C9)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N","VLHKASQMUXRNHW-UHFFFAOYSA-N",16129811,NA,"PDBC21777","676932","Present",NA,NA
+"21778","3-[[2-[[Bis(4-methoxyphenyl)-phenyl-methoxy]methyl]-5-[2-oxo-4-(2,3,4,5,6-pentafluorophenoxy)pyrimidin-1-yl]tetrahydrofuran-3-yl]oxy-(diisopropylamino)phosphanyl]oxypropanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[2-[[Bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-oxo-4-(2,3,4,5,6-pentafluorophenoxy)pyrimidin-1-yl]oxolan-3-yl]oxy-[di(propan-2-yl)amino]phosphanyl]oxypropanenitrile",NA,"CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)N5C=CC(=NC5=O)OC6=C(C(=C(C(=C6F)F)F)F)F","CZSJJZRYBZZKAH-UHFFFAOYSA-N",389756,NA,"PDBC21778","686351","Present",NA,NA
+"21779","3-[[3,4-Dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]amino]-4,5-dimethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[3,4-Dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzoyl]amino]-4,5-dimethoxybenzamide",NA,"COC1=CC(=CC(=C1OC)NC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)C=CC3=CC=CC=C3)C(=O)N","BEZPODAEPWMKDG-ZHACJKMWSA-N",5472390,NA,"PDBC21779","718305","Present",NA,NA
+"21780","3-[[3-(1H-Benzimidazol-2-yl)-6-bromochromen-2-ylidene]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{[(2z)-3-(1h-Benzimidazol-2-yl)-6-bromo-2h-chromen-2-ylidene]amino}benzamide",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=NC5=CC=CC(=C5)C(=O)N","MLWAHFKNNHKFFX-UHFFFAOYSA-N",400033,NA,"PDBC21780","711219","Present",NA,NA
+"21781","3-[[3-(2-Carboxyethylsulfanylcarbonylamino)-4-methyl-phenyl]carbamoylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-[N,N'-(6-Methyl-1,3-phenylthiocarbamoyl)]-bispropan...",NA,"CC1=C(C=C(C=C1)NC(=O)SCCC(=O)O)NC(=O)SCCC(=O)O","VBXNYZHWINKLEJ-UHFFFAOYSA-N",363900,NA,"PDBC21781","629288","Present",NA,NA
+"21782","3-[[3-(3-Carboxyanilino)-3-oxopropanoyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3-(3-Carboxyanilino)-3-oxopropanoyl)amino)benzoic acid",NA,"C1=CC(=CC(=C1)NC(=O)CC(=O)NC2=CC=CC(=C2)C(=O)O)C(=O)O","DUHRYWLCVXIPSI-UHFFFAOYSA-N",385919,NA,"PDBC21782","677382","Present",NA,NA
+"21783","3-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]pentane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]pentane-2,4-dione",NA,"CC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C(=O)C","MQOOWTQPTCJGRV-UHFFFAOYSA-N",24203787,NA,"PDBC21783","729519","Present",NA,NA
+"21784","3-[[3-[(6-Sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[3-[(6-Sulfanylidene-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]phenoxy]methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-thione",NA,"C1=CC(=CC(=C1)OCC2=NN=C3N2NC(=S)S3)OCC4=NN=C5N4NC(=S)S5","QSQIREWFEDUDCC-UHFFFAOYSA-N",5472205,NA,"PDBC21784","716902","Present",NA,NA
+"21785","3-[[3-[[4-[(4-Oxo-1H-quinolin-3-yl)sulfanyl]-3-quinolyl]sulfanylmethylsulfanyl]-4-quinolyl]sulfanyl]-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[3-[[4-[(4-Oxo-1H-quinolin-3-yl)sulfanyl]quinolin-3-yl]sulfanylmethylsulfanyl]quinolin-4-yl]sulfanyl-1H-quinolin-4-one",NA,"C1=CC=C2C(=C1)C(=O)C(=CN2)SC3=C(C=NC4=CC=CC=C43)SCSC5=C(C6=CC=CC=C6N=C5)SC7=CNC8=CC=CC=C8C7=O","VLCKPHNICCKQCR-UHFFFAOYSA-N",393154,NA,"PDBC21785","694565","Present",NA,NA
+"21786","3-[[4-(2-Methyl-4-oxo-quinazolin-3-yl)phenyl]hydrazono]pentane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-(2-Methyl-4-oxo-quinazolin-3-yl)phenyl]hydrazono]pentane-2,4-dione",NA,"CC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)N=NC(=C(C)O)C(=O)C","UXGHENKVWDOMGT-PTOVGEMASA-N",135494005,NA,"PDBC21786","691082","Present",NA,NA
+"21787","3-[[4-(3,4-Dichlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-(3,4-Dichlorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile",NA,"COC1=CC=C(C=C1)N2C=C(N=C2SCC3=CC(=CC=C3)C#N)C4=CC(=C(C=C4)Cl)Cl","OGENUAIQPMSHHI-UHFFFAOYSA-N",45027966,NA,"PDBC21787","740357","Present",NA,NA
+"21788","3-[[4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazol-2-yl]sulfanylmethyl]benzonitrile",NA,"COC1=CC(=CC(=C1OC)OC)N2C=C(N=C2SCC3=CC(=CC=C3)C#N)C4=CC=C(C=C4)Cl","CAZYPTCCLRMNDC-UHFFFAOYSA-N",45027958,NA,"PDBC21788","740263","Present",NA,NA
+"21789","3-[[4-(6-Bromo-2-methyl-4-oxo-quinazolin-3-yl)phenyl]hydrazono]pentane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-(6-Bromo-2-methyl-4-oxo-quinazolin-3-yl)phenyl]hydrazono]pentane-2,4-dione",NA,"CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)N=NC(=C(C)O)C(=O)C","CDKOFCNYHXRIEX-ZYAFEDDMSA-N",135494006,NA,"PDBC21789","691083","Present",NA,NA
+"21790","3-[[4-(Methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methoxy]propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Methylaminopyrazolo[5,4-d]pyrimidin-1-yl)methoxy]propane-1,2-diol",NA,"CNC1=C2C=NN(C2=NC=N1)COCC(CO)O","ZOQCRVXKHYDEIH-UHFFFAOYSA-N",396473,NA,"PDBC21790","702650","Present",NA,NA
+"21791","3-[[4-(p-Tolylsulfonyl)phenyl]carbamoylsulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(N-[Sulfon(4-methylphenyl)thiocarbamoyl])-propanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)SCCC(=O)O","PBFZASHTALNTDQ-UHFFFAOYSA-N",363905,NA,"PDBC21791","629293","Present",NA,NA
+"21792","3-[[4-[(4-Benzoylphenyl)methoxy]phenyl]-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[(4-Benzoylphenyl)methoxy]phenyl]-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one",NA,"C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O","BGQNUSVZARFIMD-UHFFFAOYSA-N",54680779,NA,"PDBC21792","689412","Present",NA,NA
+"21793","3-[[4-[(4-Benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[(4-Benzylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,"C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN(N=N4)COCC(CO)O","GRWMWZSGWDZHSZ-UHFFFAOYSA-N",398129,NA,"PDBC21793","707556","Present",NA,NA
+"21794","3-[[4-[(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[(4-Methylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,"CSC1=NC=NC2=C1C=NN2CC3=CN(N=N3)COCC(CO)O","UZCDOJIEMYNANZ-UHFFFAOYSA-N",398127,NA,"PDBC21794","707554","Present",NA,NA
+"21795","3-[[4-[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione",NA,"C1COCCN1CN2CN(C(=O)N(C2=O)CC3=CC=C(C=C3)C4=CC=C(C=C4)CN5C(=O)N(CN(C5=O)CN6CCOCC6)CN7CCOCC7)CN8CCOCC8","CXSRLXZSMJIHBO-UHFFFAOYSA-N",396660,NA,"PDBC21795","703174","Present",NA,NA
+"21796","3-[[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[[3,5-Bis(morpholin-4-ylmethyl)-2,6-dioxo-1,3,5-triazinan-1-yl]methyl]phenyl]methyl]-1,5-bis(morpholin-4-ylmethyl)-1,3,5-triazinane-2,4-dione",NA,"C1COCCN1CN2CN(C(=O)N(C2=O)CC3=CC=C(C=C3)CN4C(=O)N(CN(C4=O)CN5CCOCC5)CN6CCOCC6)CN7CCOCC7","CNDFOLWEDFBPTF-UHFFFAOYSA-N",396659,NA,"PDBC21796","703173","Present",NA,NA
+"21797","3-[[5-(2,4-Dichlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-({[5-(2,4-Dichlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-indole",NA,"CN1C(=NN=C1SCC2=CNC3=CC=CC=C32)C4=C(C=C(C=C4)Cl)Cl","OBHBNCCDUQZSJN-UHFFFAOYSA-N",403097,NA,"PDBC21797","717569","Present",NA,NA
+"21798","3-[[5-(2-Cyanoethylsulfanyl)-2-(5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiolan-4-yl]sulfanyl]propanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((5-((2-Cyanoethyl)thio)-2-(5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-1,3-dithiolan-4-yl)thio)propanenitrile",NA,"C1CSC2=C(S1)SC(=C3SC(C(S3)SCCC#N)SCCC#N)S2","YUKLHGXOMTYTBG-UHFFFAOYSA-N",386983,NA,"PDBC21798","680294","Present",NA,NA
+"21799","3-[[5-[(4-Benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[5-[(4-Benzylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,"C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN=NN4COCC(CO)O","WHWAKZREZVVHIE-UHFFFAOYSA-N",398130,NA,"PDBC21799","707557","Present",NA,NA
+"21800","3-[[5-[(4-Chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[5-[(4-Chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoic acid",NA,"C1=CC=C(C=C1)N2C(=NN=C2SCCC(=O)O)COC3=CC=C(C=C3)Cl","KQYJOZIXYSIEFO-UHFFFAOYSA-N",395273,NA,"PDBC21800","699751","Present",NA,NA
+"21801","3-[[5-[(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[5-[(4-Methylsulfanylpyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,"CSC1=NC=NC2=C1C=NN2CC3=CN=NN3COCC(CO)O","ZHWXKMNRPONUEF-UHFFFAOYSA-N",398128,NA,"PDBC21801","707555","Present",NA,NA
+"21802","3-[[5-[Bis(2-bromoethyl)amino]-2,4-dinitrobenzoyl]amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[5-[Bis(2-bromoethyl)amino]-2,4-dinitrobenzoyl]amino]propanoic acid",NA,"C1=C(C(=CC(=C1N(CCBr)CCBr)[N+](=O)[O-])[N+](=O)[O-])C(=O)NCCC(=O)O","XWGFMGOAILWIGO-UHFFFAOYSA-N",387493,NA,"PDBC21802","681294","Present",NA,NA
+"21803","3-[[6-(2-Carboxyethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[6-(2-Carboxyethylcarbamoyl)-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]propanoic acid",NA,"CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3O2)C(=O)NCCC(=O)O)C)C(=O)NCCC(=O)O","ILGUTPFLBKPRER-UHFFFAOYSA-N",388806,NA,"PDBC21803","683893","Present",NA,NA
+"21804","3-[[Imino(dimethyl)-$l^{6}-sulfanylidene]amino]-2-methyl-1H-1,2,4-triazol-5-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[Imino(dimethyl)-$l^{6}-sulfanylidene]amino]-2-methyl-1H-1,2,4-triazol-5-imine",NA,"CN1C(=NC(=N1)N)N=S(=N)(C)C","SQISXLHVDUOCQK-UHFFFAOYSA-N",364672,NA,"PDBC21804","631301","Present",NA,NA
+"21805","3-[[[(1-Amino-1-oxo)-2-propyl]methylamino] carbonyl]-1-benzylquinolinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[[(1-Amino-1-oxo)-2-propyl]methylamino] carbonyl]-1-b...",NA,"CC(C(=O)N)N(C)C(=O)C1=CC2=CC=CC=C2[N+](=C1)CC3=CC=CC=C3.[Br-]","MJZGQURGHOHFLJ-UHFFFAOYSA-N",363837,NA,"PDBC21805","629104","Present",NA,NA
+"21806","3-[[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC(=CC=C6)C#N","BGSVFCXPJNDYMF-BSAOIWFSSA-N",369920,NA,"PDBC21806","642287","Present",NA,NA
+"21807","3-alpha-Methoxy-trans-2,4-dioxa-3-beta-thioxo-3-phosphabicyclo[4.3.0]nonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-.alpha.-Methoxy-trans-2,4-dioxa-3-.beta.-thioxo-3- pho...",NA,"COP1(=S)OCC2CCCC2O1","OQSJCRXKXZPETK-KKOGVWMFSA-N",364432,NA,"PDBC21807","630692","Present",NA,NA
+"21808","3-alpha-Methoxy-trans-2,4-dioxa-3-phosphabicyclo[4.3.0]nonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-.alpha.-Methoxy-trans-2,4-dioxa-3-phosphabicyclo[4.3.0...",NA,"COP1OCC2CCCC2O1","XBBUQNVWTGNDAI-KKOGVWMFSA-N",364431,NA,"PDBC21808","630691","Present",NA,NA
+"21809","3-beta-O-{beta-D-Glucopyranosyl-(1-> 3)-beta-D-glucopyranosyl-(1-> 3)-[beta-D-glucopyranosyl-(1-> 2)]-beta-D-glucopyranosyl-(1-> 4)-beta-D-galactopyranosyl}-2 alpha-hydroxyl-(25R)-5 alpha-spirostane.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-beta-O-{beta-D-glucopyranosyl-(1 -> 3)-beta-D-glucopyr...",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1","LHFLSIPWAUOODT-JEPXNDLPSA-N",405053,NA,"PDBC21809","721897","Present",NA,NA
+"21810","3-bromo-6-nitro-2h-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-bromo-6-nitro-2h-chromen-2-one",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C=C(C(=O)O2)Br","CMASVHRZKKMZCX-UHFFFAOYSA-N",223137,NA,"PDBC21810","10388","Present",NA,NA
+"21811","3-butoxycarbonyl-3-demethylthiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-butoxycarbonyl-3-demethylthiocolchicine",NA,"CCCCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C)OC)OC","JGOVLRQGXGSQIM-UHFFFAOYSA-N",360414,NA,"PDBC21811","622488","Present",NA,NA
+"21812","3-deazacytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-deazacytidine",NA,"C1=CN(C(=O)C=C1N)C2C(C(C(O2)CO)O)O","OGADSZTVCUXSOK-UHFFFAOYSA-N",1652,NA,"PDBC21812","133115","Present",NA,NA
+"21813","3-hydroxy-lup-20(29)-en-28-N-methylpiperazine amid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-lup-20(29)-en-28-N-methylpiperazine amid",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)N6CCN(CC6)C","RBJSLEPJNSJLFY-KNGBOHGISA-N",155815773,NA,"PDBC21813","799587","Present",NA,NA
+"21814","3-hydroxyleptomycin b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxyleptomycin b",NA,"CCC(=CC(C)CC=CC(=CC(CO)C(=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC1C(C=CC(=O)O1)C","KZMHNEBMQDBQND-MRBODPGGSA-N",5477877,NA,"PDBC21814","364373","Present",NA,NA
+"21815","3-morpholinopropyl[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-morpholinopropyl[?]one",NA,"C1COCCN1CCCN2C(=O)N3C(=N2)CSC4=C3C=CC5=CC=CC=C54","LHWDEJCFTYTPSW-UHFFFAOYSA-N",393575,NA,"PDBC21815","695645","Present",NA,NA
+"21816","3-nitro-2',4'-salicyloxylidide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-nitro-2',4'-salicyloxylidide",NA,"CC1=CC(=C(C=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)C","CBRBNMYCBQPPAE-UHFFFAOYSA-N",186171,NA,"PDBC21816","79456","Present",NA,NA
+"21817","3-phenacyliden-5-brom-2-indolinon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-phenacyliden-5-brom-2-indolinon",NA,"C1=CC=C(C=C1)C(=O)C=C2C3=C(C=CC(=C3)Br)NC2=O","AZHMGLXVLSUTGY-LCYFTJDESA-N",5477132,NA,"PDBC21817","294961","Present",NA,NA
+"21818","3-tert-butyl-3-hydroxy-isochroman-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-tert-butyl-3-hydroxy-isochroman-1-one",NA,"CC(C)(C)C1(CC2=CC=CC=C2C(=O)O1)O","MMMUYWVJGFFIPF-UHFFFAOYSA-N",365998,NA,"PDBC21818","634165","Present",NA,NA
+"21819","3-{(2E)-3-[4-(1H-Benzimidazol-2-yl)phenyl]triaz-2-enyl}propa n-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{(2E)-3-[4-(1H-benzimidazol-2-yl)phenyl]triaz-2-enyl}p...",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NCCCO","SKXVQEGVHDSUBV-UHFFFAOYSA-N",24203876,NA,"PDBC21819","729838","Present",NA,NA
+"21820","3-{4-[(E)-(4-Chlorophenyl)diazenyl]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-N-(2-methoxyphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(4-Chlorophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-N-(2-methoxyphenyl)-3-oxopropanamide",NA,"COC1=CC=CC=C1NC(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl","LGWYBQFNPXEUSO-UHFFFAOYSA-N",370003,NA,"PDBC21820","642567","Present",NA,NA
+"21821","3-{4-[Bis-(2-carboxy-ethyl)-amino]-3-iodo-phenyl}-2-cyano-acrylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{4-[Bis-(2-carboxy-ethyl)-amino]-3-iodo-phenyl}-2-cyano-acrylic acid ethyl ester",NA,"CCOC(=O)C(=CC1=CC(=C(C=C1)N(CCC(=O)O)CCC(=O)O)I)C#N","RFYOFBUDCPMYBQ-LCYFTJDESA-N",6300502,NA,"PDBC21821","659614","Present",NA,NA
+"21822","3-{[5-(4-Methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}phenol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydrochloride 3-[5-(4-methylphenyl)thieno[2,3-d]pyrimidi...",NA,"CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)NC4=CC(=CC=C4)O.Cl","BQODDQILXCOHCH-UHFFFAOYSA-N",18590612,NA,"PDBC21822","732807","Present",NA,NA
+"21823","32-Methoxy-8-nitro-18,21,26,29-tetraoxa-1,4,12,15-tetrazatricyclo[13.8.8.16,10]dotriaconta-6,8,10(32)-triene-3,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"32-Methoxy-8-nitro-18,21,26,29-tetraoxa-1,4,12,15-tetrazatricyclo[13.8.8.16,10]dotriaconta-6,8,10(32)-triene-3,13-dione",NA,"COC1=C2CNC(=O)CN3CCOCCOCCN(CCOCCOCC3)CC(=O)NCC1=CC(=C2)[N+](=O)[O-]","GXLFGRWMAFCLDG-UHFFFAOYSA-N",394571,NA,"PDBC21823","698137","Present",NA,NA
+"21824","34-Mer peptide:  GINHLPSDAVGTAIEVMPCLRDGKLCIGAEHIEL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"34-Mer peptide:  GINHLPSDAVGTAIEVMPCLRDGKLCIGAEHIEL",NA,NA,NA,NA,NA,"PDBC21824","688524","Present",NA,NA
+"21825","34-Mer peptide:  LSEDKLLACGEGAADIIIGHLCIRHEMTPVNPGV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"34-Mer peptide:  LSEDKLLACGEGAADIIIGHLCIRHEMTPVNPGV",NA,NA,NA,NA,NA,"PDBC21825","688523","Present",NA,NA
+"21826","3548AC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3548AC",NA,"CN(C)CCNC1=C2C(=CC=C1)OC3=C(C2=O)C=C(C=C3)OC","VZEANJLRFRGUBQ-UHFFFAOYSA-N",337291,NA,"PDBC21826","354674","Present",NA,NA
+"21827","36,37-Diphenyl-2,5,11,14,19,22,28,31-octaoxa-8,25,35,38,43,45-hexazaoctacyclo[30.15.2.135,38.015,41.018,40.033,47.036,45.037,43]pentaconta-1(47),15(41),16,18(40),32,48-hexaene-44,50-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"36,37-Diphenyl-2,5,11,14,19,22,28,31-octaoxa-8,25,35,38,43,45-hexazaoctacyclo[30.15.2.135,38.015,41.018,40.033,47.036,45.037,43]pentaconta-1(47),15(41),16,18(40),32,48-hexaene-44,50-dione",NA,"C1COCCOC2=C3CN4C(=O)N5CC6=C(C=CC7=C6CN8C5(C4(N(C8=O)CC3=C(C=C2)OCCOCCNCCOCCO7)C9=CC=CC=C9)C2=CC=CC=C2)OCCOCCN1","VSPIXAKZKXCUFM-UHFFFAOYSA-N",370155,NA,"PDBC21827","642893","Present",NA,NA
+"21828","38C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"38C",NA,"COC1=CC=C(C=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","JWXHIZDIJHFSIP-UHFFFAOYSA-N",390818,NA,"PDBC21828","688820","Present",NA,NA
+"21829","3Aalpha,4,5,6-Tetrahydro-4-oxo-5-[(S)-1-phenylethyl]-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3aS)-4-oxo-5-[(1S)-1-phenylethyl]-3a,6-dihydro-3H-pyrazolo[1,5-a][1,4]benzodiazepine-2-carboxylate",NA,"CC(C1=CC=CC=C1)N2CC3=CC=CC=C3N4C(C2=O)CC(=N4)C(=O)OC","MNVBFXULXCFHSO-LIRRHRJNSA-N",401217,NA,"PDBC21829","714421","Present",NA,NA
+"21830","3Abeta,4-Dihydro-6beta-[4-(trifluoromethyl)phenyl]-3H-cyclopenta[c]isoxazole-5,5(6H)-dicarboxylic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (3aR,6R)-6-[4-(trifluoromethyl)phenyl]-3,3a,4,6-tetrahydrocyclopenta[c][1,2]oxazole-5,5-dicarboxylate",NA,"CCOC(=O)C1(CC2CON=C2C1C3=CC=C(C=C3)C(F)(F)F)C(=O)OCC","YOOXHFZZXUCKDB-JSGCOSHPSA-N",401489,NA,"PDBC21830","715147","Present",NA,NA
+"21831","3Alfa-acetoxysarcodonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3alfa-acetoxysarcodonin",NA,"CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)O)O)C(C)CC)[O-])OC(=O)C","PXGYYRKCFYOWID-GYPBXALBSA-N",404539,NA,"PDBC21831","720787","Present",NA,NA
+"21832","3D-D-demycarosyl-3D-.beta.-D-oliosyl-Mithramycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3D-D-demycarosyl-3D-.beta.-D-oliosyl-Mithramycin",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3CC(OC(C3O)C)OC4C(CC5=C(C4=O)C(=C6C(=C5)C=C(C(=C6O)C)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)O)O)C(C(=O)C(C(C)O)O)OC)O)O","KFNMIACXDPOGJG-KBBWBNCFSA-N",155812555,NA,"PDBC21832","783298","Present",NA,NA
+"21833","3D-D-demycarosyl-3D-a-L-oleandrosyl-Mithramycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3D-D-demycarosyl-3D-a-L-oleandrosyl-Mithramycin",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC)C(=C4C(=C3C)O)O)O)O","OZJCVQRWLDUFPA-YVFWWETGSA-N",155811892,NA,"PDBC21833","783297","Present",NA,NA
+"21834","3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-ol, 3,3'-(1,12-dodecanediyl)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-1,2,3-Triazolo[4,5-d]pyrimidin-7-ol, 3,3'-(1,12-dodec...",NA,"C1=NC2=C(C(=O)N1)N=NN2CCCCCCCCCCCCN3C4=C(C(=O)NC=N4)N=N3","VDKAOKMNJKYDBM-UHFFFAOYSA-N",135409018,NA,"PDBC21834","653419","Present",NA,NA
+"21835","3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-1,2,4-Triazino(5,6-b)indole-3-thione, 2,5-dihydro-5-(trifluoroacetyl)-",NA,"C1=CC=C2C(=C1)C3=NNC(=S)N=C3N2C(=O)C(F)(F)F","AGSZBVGKWLFZNG-UHFFFAOYSA-N",3000333,NA,"PDBC21835","623094","Present",NA,NA
+"21836","3H-1,2,4-Triazol-3-imine, 1,2-dihydro-5-methyl-1-pentopyranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Imino-3-methyl-1H-1,2,4-triazol-2-yl)tetrahydropyran-3,4,5-triol",NA,"CC1=NC(=NN1C2C(C(C(CO2)O)O)O)N","XTVAFVSOEHBQPC-UHFFFAOYSA-N",362638,NA,"PDBC21836","626823","Present",NA,NA
+"21837","3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-(3-methyl-3-thietanyl)-4,5-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-1,2,4-Triazol-3-one, 2,4-dihydro-2-(3-methyl-3-thietanyl)-4,5-diphenyl-",NA,"CC1(CSC1)N2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4","UUGAPWQWFKPLTE-UHFFFAOYSA-N",374919,NA,"PDBC21837","653504","Present",NA,NA
+"21838","3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[(4-methylphenyl)methyl]-4-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-1,2,4-Triazol-3-one, 2,4-dihydro-5-[(4-methylphenyl)methyl]-4-phenyl-",NA,"CC1=CC=C(C=C1)CC2=NNC(=O)N2C3=CC=CC=C3","NTNNEQKPZLRLJX-UHFFFAOYSA-N",386446,NA,"PDBC21838","678475","Present",NA,NA
+"21839","3H-1,2-Benzodithiol-3-one 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-1,2-Benzodithiol-3-one-1-oxide",NA,"C1=CC=C2C(=C1)C(=O)SS2=O","RFKVIOFDUHRMTD-UHFFFAOYSA-N",5466364,NA,"PDBC21839","686574","Present",NA,NA
+"21840","3H-1,2-Dithiole, 3,3,4,5-tetrachloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-1,2-Dithiole, tetrachloro-",NA,"C1(=C(SSC1(Cl)Cl)Cl)Cl","YXMZIQBPZNCGMY-UHFFFAOYSA-N",55894,NA,"PDBC21840","135975","Present",NA,NA
+"21841","3H-1,4-Dithiazole-5-amine, 3-[2-(diethoxy)ethyl]imino-N,N-dimethyl-, hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-1,2,4-Dithiazole-5-amine, 3-[2-(diethoxy)ethyl]imino-...",NA,"CCOC(CN=C1N=C(SS1)N(C)C)OCC.Br","SIYSFFBXOZNARK-UHFFFAOYSA-N",360558,NA,"PDBC21841","622688","Present",NA,NA
+"21842","3H-2,1-Benzoxathiole 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Toluenesulfonic acid, .alpha.-hydroxy-, .gamma.-sultone",NA,"C1C2=CC=CC=C2S(=O)(=O)O1","SDJPPXJZWJEAPT-UHFFFAOYSA-N",78157,NA,"PDBC21842","50795","Present",NA,NA
+"21843","3H-3a,6-Methano-2,1-benzisothiazole, 1-[[(2R,3S,3aR)-hexahydro-2-methylpyrrolo[1,2-b]isoxazol-3-yl]carbonyl]hexahydro-8,8-dimethyl-, 2,2-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,3S,3Ar)-2-methyl-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]-(10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)methanone",NA,"CC1C(C2CCCN2O1)C(=O)N3C4CC5CCC4(C5(C)C)CS3(=O)=O","FDPRDAHOVZKQDN-WWKNAXRHSA-N",381052,NA,"PDBC21843","667071","Present",NA,NA
+"21844","3H-3a,6-Methano-2,1-benzisothiazole, hexahydro-8,8-dimethyl-1-(1-oxooctyl)-, 2,2-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(10,10-Dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl)octan-1-one",NA,"CCCCCCCC(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O","JSPHNRUWCOHPAN-UHFFFAOYSA-N",377466,NA,"PDBC21844","658923","Present",NA,NA
+"21845","3H-Diimidazo[1,5'-d]pyrimidin-9-one, 4,9-dihydro-4,6-dimethyl-3-B-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Diimidazo[1,2-a:4',5'-d]pyrimidin-9-one, 4,9- dihydro...",NA,"CC1=CN2C(=O)C3=C(N(C2=N1)C)N(C=N3)C4C(C(C(O4)CO)O)O","JCZSFCLRSONYLH-UHFFFAOYSA-N",363427,NA,"PDBC21845","628338","Present",NA,NA
+"21846","3H-Imidazo[1,2-e]pyrimidin-2(7H)-one, 3,9-dimethyl-5-(methylthio)-8-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Imidazo[1,2-c]pyrrolo[3,2-e]pyrimidin-2(7H)-one, 3,9-...",NA,"CC1C(=O)NC2=C3C(=C(N=C3N=C(N12)SC)C4=CC=CC=C4)C","LEJAPKDVRSAKBF-UHFFFAOYSA-N",135585381,NA,"PDBC21846","725828","Present",NA,NA
+"21847","3H-Indazol-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Indazol-3-amine",NA,"C1=CC=C2C(=C1)C(N=N2)N","SRTBRSCNLJCLPU-UHFFFAOYSA-N",359326,NA,"PDBC21847","620111","Present",NA,NA
+"21848","3H-Indol-3-one, 2-(2-methylphenyl)-, 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(o-tolyl)-1-oxido-indol-1-ium-3-one",NA,"CC1=CC=CC=C1C2=[N+](C3=CC=CC=C3C2=O)[O-]","FVLUSWMJOXATHL-UHFFFAOYSA-N",362360,NA,"PDBC21848","626106","Present",NA,NA
+"21849","3H-Indol-3-one, 2-(4-chlorophenyl)-, 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Indol-3-one, 2-(4-chlorophenyl)-, 1-oxide",NA,"C1=CC=C2C(=C1)C(=O)C(=[N+]2[O-])C3=CC=C(C=C3)Cl","XOMOLSDIXFIBAL-UHFFFAOYSA-N",362363,NA,"PDBC21849","626109","Present",NA,NA
+"21850","3H-Naphtho[1, 4,5-dihydro-6-nitro-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Naphtho[1,8-bc]furan-2-carboxylic acid, 4,5-dihydro-6...",NA,"CCOC(=O)C1=C2CCCC3=C(C=CC(=C32)O1)[N+](=O)[O-]","KVSSXNFYCCIYSG-UHFFFAOYSA-N",360479,NA,"PDBC21850","622613","Present",NA,NA
+"21851","3H-Naphtho[2,1-b]pyran-2-carboxamide, 3-imino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Naphtho[2,1-b]pyran-2-carboxamide, 3-imino-",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C(=N)O3)C(=O)N","VNHCIICJCYBUKX-UHFFFAOYSA-N",395946,NA,"PDBC21851","701070","Present",NA,NA
+"21852","3H-Pseudozoanthoxanthin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-pseudozoanthoxanthin",NA,"CC1=C2C(=C3C(=NC(=N3)N(C)C)C=C1)N(C(=N2)NC)C","NZNXUEOMDKEQMO-UHFFFAOYSA-N",378916,NA,"PDBC21852","662423","Present",NA,NA
+"21853","3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-hydroxy-1-naphthalenyl)methylene]-2-(2-hydroxybenzoyl)-5-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Pyrazol-3-one, 2,4-dihydro-4-[(2-hydroxy- 1-naphthale...",NA,"CC1=C(C(=O)N(N1)C(=O)C2=CC=CC=C2O)C=C3C(=O)C=CC4=CC=CC=C43","IJYAUTDSQHSGQK-PDGQHHTCSA-N",5465537,NA,"PDBC21853","652183","Present",NA,NA
+"21854","3H-Pyrazole-3,4,5-tricarboxylic acid, 3-(dimethylbismuthino)-, 3-ethyl 4,5-dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Pyrazole-3,4,5-tricarboxylic acid, 3-(dimethylbismuthino)-, 3-ethyl 4,5-dimethyl ester",NA,"CCOC(=O)C1(C(=C(N=N1)C(=O)OC)C(=O)OC)[Bi](C)C","HLGGEOPSHATQAA-UHFFFAOYSA-N",331625,NA,"PDBC21854","325608","Present",NA,NA
+"21855","3H-Pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4-one",NA,"C1=CC2=C(N=C1)SC3=C2N=NNC3=O","SFJDUWWRDKUTSA-UHFFFAOYSA-N",135489792,NA,"PDBC21855","675864","Present",NA,NA
+"21856","3H-Pyrrole-4-carboxylic acid, 2,5-diamino-3-[(4-methoxyphenyl)imino]-, ethylester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Pyrrole-4-carboxylic acid, 2,5-diamino-3-[(4-methoxyp...",NA,"CCOC(=O)C1=C(C(=NC1=N)N)NC2=CC=C(C=C2)OC","VAYGZHQOQYZSME-UHFFFAOYSA-N",135452461,NA,"PDBC21856","302867","Present",NA,NA
+"21857","3H-Pyrrolo[3, 2,3,6,7-tetramethyl-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Pyrrolo[3,2-f]quinolinium, 2,3,6,7-tetramethyl-, iodide",NA,"CC1=[N+](C2=C(C=C1)C3=C(C=C2)N(C(=C3)C)C)C.[I-]","LUJQRRNPLBVUCY-UHFFFAOYSA-M",24188629,NA,"PDBC21857","78018","Present",NA,NA
+"21858","3H-Xanthen-3-one, 2,4,5,7-tetrabromo-6-hydroxy-9-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Xanthen-3-one, 2,4,5,7-tetrabromo-6-hydroxy-9-phenyl-",NA,"C1=CC=C(C=C1)C2=C3C=C(C(=O)C(=C3OC4=C(C(=C(C=C24)Br)O)Br)Br)Br","YDORCWFBNQOQIK-UHFFFAOYSA-N",356718,NA,"PDBC21858","613609","Present",NA,NA
+"21859","3V07D4LF1N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3V07D4LF1N",NA,"CC1=C(C(=S)N=C(N1)N)CCC(=O)O","JJOFZKIXHUDVKL-UHFFFAOYSA-N",3003821,NA,"PDBC21859","97918","Present",NA,NA
+"21860","3VL8VB55X4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3VL8VB55X4",NA,"CC1=C2C=CN=C(C2=C(C3=C1N(C4=CC=CC=C43)CC5=CC=CC=C5)C)C(=O)N","VODKCENRSZZLTO-UHFFFAOYSA-N",330922,NA,"PDBC21860","320613","Present",NA,NA
+"21861","3a,3b,4,5,6,6a,11,11b-Octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,3b,4,5,6,6a,11,11b-Octahydro-1H-cyclopenta[c]pyrrolo[3,4-a]carbazole-1,3(2H)-dione",NA,"C1CC2C(C1)C3=C(C4C2C(=O)NC4=O)NC5=CC=CC=C53","BGLCHQRMAMFEPY-UHFFFAOYSA-N",362442,NA,"PDBC21861","626391","Present",NA,NA
+"21862","3a,5,5-Trimethyl-1-phenyl-3a,4,5,6-tetrahydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,5,5-Trimethyl-1-phenyl-3a,4,5,6-tetrahydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepine",NA,"CC1(CC2(N(C3=CC=CC=C3N1)C(=NO2)C4=CC=CC=C4)C)C","JKRZHBNLPINNHO-UHFFFAOYSA-N",377493,NA,"PDBC21862","658961","Present",NA,NA
+"21863","3a,5,6,6a-Tetrahydro-3beta,3aalpha,6alpha-trihydroxy-3-(1-ethoxy-1H-indole-3-ylmethyl)furo[3,2-b]furan-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3s,6s,6As)-6-[(1-ethoxyindol-3-yl)methyl]-3,6,6a-trihydroxy-3,3a-dihydro-2h-furo[2,3-d]furan-5-one",NA,"CCON1C=C(C2=CC=CC=C21)CC3(C(=O)OC4C3(OCC4O)O)O","DRGYHSLUSCNXAW-WVKGIRLHSA-N",398552,NA,"PDBC21863","708488","Present",NA,NA
+"21864","3a,5-Dimethyl-1-phenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,5-Dimethyl-1-phenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,"CC1CC2(N(C3=CC=CC=C3S1)C(=NO2)C4=CC=CC=C4)C","AXDNOEIXABAWJD-UHFFFAOYSA-N",384262,NA,"PDBC21864","673810","Present",NA,NA
+"21865","3a,7-Methano-3aH-cyclopentacyclooctene-2,9(3H,4H)-dione, hexahydro-1,1,7-trimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,7-Methano-3aH-cyclopentacyclooctene-2,9(3H,4H)-dione, hexahydro-1,1,7-trimethyl-",NA,"CC1(C2C(=O)CC3(CCCC2(C3)CC1=O)C)C","IDXVGRTXFXYOCS-UHFFFAOYSA-N",382558,NA,"PDBC21865","670167","Present",NA,NA
+"21866","3a,7a-Dihydrodithiolo[3,4-b]pyridine-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,7a-Dihydrodithiolo[5,4-b]pyridine-3-thione",NA,"C1=CC2C(N=C1)SSC2=S","DRPGBRDDYIIVEA-UHFFFAOYSA-N",397764,NA,"PDBC21866","706186","Present",NA,NA
+"21867","3a,7b-Dimethyl-2,4-dioxodecahydrobenzo[3,4]cyclobuta[1,2-b]furan-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,7b-Dimethyl-2,4-dioxodecahydrobenzo[3,4]cyclobuta[1,2-b]furan-3-carbonitrile",NA,"CC12C3CCCC(=O)C3C1(C(C(=O)O2)C#N)C","ORLVDTSQPRWNMF-UHFFFAOYSA-N",362314,NA,"PDBC21867","625950","Present",NA,NA
+"21868","3a,8a-Dihydroxy-1,3-diphenyl-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazole-2,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,8a-Dihydroxy-1,3-diphenyl-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazole-2,8-dione",NA,"C1=CC=C(C=C1)N2C(=O)N(C3(C2(C4=CC=CC=C4C3=O)O)O)C5=CC=CC=C5","GWUSSCXWEWTJSD-UHFFFAOYSA-N",368005,NA,"PDBC21868","638234","Present",NA,NA
+"21869","3a,8a-Dihydroxy-1-methyl-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazole-2,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,8b-Dihydroxy-3-methyl-1H-indeno[2,3-d]imidazole-2,4-dione",NA,"CN1C(=O)NC2(C1(C(=O)C3=CC=CC=C32)O)O","BHQIXCRZKCNESW-UHFFFAOYSA-N",368086,NA,"PDBC21869","638428","Present",NA,NA
+"21870","3a,8a-Dihydroxy-1-phenyl-1,3,3a,8a-tetrahydroindeno[1,2-d]imidazole-2,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,8b-Dihydroxy-3-phenyl-1H-indeno[2,3-d]imidazole-2,4-dione",NA,"C1=CC=C(C=C1)N2C(=O)NC3(C2(C(=O)C4=CC=CC=C43)O)O","XULXOBLYRWHESW-UHFFFAOYSA-N",368087,NA,"PDBC21870","638429","Present",NA,NA
+"21871","3a,8b-Dihydroxy-3-phenyl-2-thioxo-1H-indeno[2,3-d]imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,8b-Dihydroxy-3-phenyl-2-thioxo-1H-indeno[2,3-d]imidazol-4-one",NA,"C1=CC=C(C=C1)N2C(=S)NC3(C2(C(=O)C4=CC=CC=C43)O)O","OPMKYINTKHIAAH-UHFFFAOYSA-N",3004232,NA,"PDBC21871","638430","Present",NA,NA
+"21872","3a-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-(4-Chlorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,"C1CC2(NC3=CC=CC=C3N2C1=O)C4=CC=C(C=C4)Cl","ZLNZEIFAAWZJFN-UHFFFAOYSA-N",368711,NA,"PDBC21872","639848","Present",NA,NA
+"21873","3a-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-(4-Fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,"C1CC2(NC3=CC=CC=C3N2C1=O)C4=CC=C(C=C4)F","KTARQOJLDRKIDM-UHFFFAOYSA-N",368712,NA,"PDBC21873","639849","Present",NA,NA
+"21874","3a-(Difluoromethyl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5H-furo[2,3-d][1,3]dioxol-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-(Difluoromethyl)-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-5h-furo[5,4-d][1,3]dioxol-6-ol",NA,"CC1(OC2C(C(OC2(O1)C(F)F)CO)O)C","XJISWBRFPIQWMB-UHFFFAOYSA-N",396766,NA,"PDBC21874","703545","Present",NA,NA
+"21875","3a-Ethyl 3-methyl 1-((3-chlorobenzoyl)amino)-6a-hydroxy-2-methyl-4,5,6,6a-tetrahydrocyclopenta[b]pyrrole-3,3a(1H)-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-O-Ethyl 3-O-methyl 1-[(3-chlorobenzoyl)amino]-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,"CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)C3=CC(=CC=C3)Cl)O","INTVBSNMZXAIRL-UHFFFAOYSA-N",367826,NA,"PDBC21875","637901","Present",NA,NA
+"21876","3a-Hydroxyspiro[2,4,5,6,7,8,9,9a-octahydrocycloocta[c]pyrrole-1,1'-cycloheptane]-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a'-Hydroxyoctahydrospiro[cycloheptane-1,1'-cycloocta[c]pyrrol]-3'(2'H)-one",NA,"C1CCCC2(C(CC1)C3(CCCCCC3)NC2=O)O","RHKYNGKMJNUJKI-UHFFFAOYSA-N",363860,NA,"PDBC21876","629127","Present",NA,NA
+"21877","3a-Methyl-1-phenyl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepin-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-Methyl-1-phenyl-3a,4-dihydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepin-5(6H)-one",NA,"CC12CC(=O)NC3=CC=CC=C3N1C(=NO2)C4=CC=CC=C4","RUJQGUDBSZASHN-UHFFFAOYSA-N",377491,NA,"PDBC21877","658959","Present",NA,NA
+"21878","3a-Methyl-2,4-diphenyl-1,3,4,8b-tetrahydroindeno[1,2-c]phosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-Methyl-2,4-diphenyl-1,3,4,8b-tetrahydroindeno[1,2-c]phosphole 2-oxide",NA,"CC12CP(=O)(CC1C3=CC=CC=C3C2C4=CC=CC=C4)C5=CC=CC=C5","USAJZDLDKCTBFR-UHFFFAOYSA-N",376967,NA,"PDBC21878","658167","Present",NA,NA
+"21879","3a-Methyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-Methyl-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione",NA,"CC12C(C(=O)NC1=O)N=NN2","CVLOUNRSFROHKZ-UHFFFAOYSA-N",375572,NA,"PDBC21879","655359","Present",NA,NA
+"21880","3a-Methyl-6-nitro-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-Methyl-6-nitro-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,"CC12CCC(=O)N1C3=C(N2)C=C(C=C3)[N+](=O)[O-]","ZVRZECGULZZRFM-UHFFFAOYSA-N",368717,NA,"PDBC21880","639854","Present",NA,NA
+"21881","3a-Methyl-7-nitro-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-Methyl-7-nitro-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,"CC12CCC(=O)N1C3=C(N2)C=CC(=C3)[N+](=O)[O-]","QRKYNOPJDIGNSB-UHFFFAOYSA-N",368718,NA,"PDBC21881","639855","Present",NA,NA
+"21882","3a-Methylazulen-4-one; carbon monoxide; cyclopentane; iron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-Methylazulen-4-one; carbon monoxide; cyclopentane; iron",NA,NA,NA,NA,NA,"PDBC21882","649309","Present",NA,NA
+"21883","3a-O-Ethyl 3-O,4-O-dimethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-O-Ethyl 3-O,4-O-dimethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate",NA,"CCOC(=O)C12C(=C(N(C1(N(C(=C2C(=O)OC)C)NC(=O)NC3=CC=CC=C3)N)NC(=O)NC4=CC=CC=C4)C)C(=O)OC","OZSZFAZDJFWWFB-UHFFFAOYSA-N",364561,NA,"PDBC21883","630981","Present",NA,NA
+"21884","3a-O-Ethyl 3-O-methyl 1-(carbamoylamino)-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-O-Ethyl 3-O-methyl 1-(carbamoylamino)-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,"CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)N)O","FCMMHFRPPVPQCO-UHFFFAOYSA-N",364560,NA,"PDBC21884","630980","Present",NA,NA
+"21885","3a-O-Ethyl 3-O-methyl 1-benzamido-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-O-Ethyl 3-O-methyl 1-benzamido-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,"CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)C3=CC=CC=C3)O","XHBPERJERGDTEZ-UHFFFAOYSA-N",364558,NA,"PDBC21885","630978","Present",NA,NA
+"21886","3a-O-Ethyl 3-O-methyl 6a-hydroxy-1-(methoxycarbonylamino)-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-O-Ethyl 3-O-methyl 6a-hydroxy-1-(methoxycarbonylamino)-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,"CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)OC)O","GLQKUASZKSYQPB-UHFFFAOYSA-N",364557,NA,"PDBC21886","630977","Present",NA,NA
+"21887","3a-O-Ethyl 3-O-methyl 6a-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-O-Ethyl 3-O-methyl 6a-hydroxy-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,"CCOC(=O)C12CCCC1(N(C(=C2C(=O)OC)C)NC(=O)OC(C)(C)C)O","QCMVRPLGPVCCDM-UHFFFAOYSA-N",364559,NA,"PDBC21887","630979","Present",NA,NA
+"21888","3a-Prop-2-enyl-1,3,4,6,7,7a-hexahydroindene-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-Prop-2-enyl-1,3,4,6,7,7a-hexahydroindene-2,5-dione",NA,"C=CCC12CC(=O)CCC1CC(=O)C2","ZMMXPOITZACTMG-UHFFFAOYSA-N",359515,NA,"PDBC21888","620498","Present",NA,NA
+"21889","3alpha-Hydroxy-4alpha-methylcyclopentane-1,1-dicarboxylic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686503",NA,"CCOC(=O)C1(CC(C(C1)O)C)C(=O)OCC","CHXWXMWYUNAFCI-BDAKNGLRSA-N",389875,NA,"PDBC21889","686503","Present",NA,NA
+"21890","3alpha-Phenyl-4aalpha,5,6,7,7aalpha,7balpha-hexahydroindeno[1,7-cd]isoxazole-4,4(3H)-dicarboxylic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (1R,5R,7S,11R)-5-phenyl-2-oxa-3-azatricyclo[5.3.1.04,11]undec-3-ene-6,6-dicarboxylate",NA,"CCOC(=O)C1(C2CCCC3C2C(=NO3)C1C4=CC=CC=C4)C(=O)OCC","ATHDZOJILXEWAN-YVSFHVDLSA-N",401490,NA,"PDBC21890","715148","Present",NA,NA
+"21891","3alpha-Phenyl-5-methyl-1H-pyrrolo[1,2-c]thiazole-7-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(3r)-5-methyl-3-phenyl-1h-pyrrolo[1,2-c][1,3]thiazole-7-carboxylate",NA,"CC1=CC(=C2N1C(SC2)C3=CC=CC=C3)C(=O)OC","APPWRWBTISUVQR-CQSZACIVSA-N",402121,NA,"PDBC21891","715979","Present",NA,NA
+"21892","3beta,5alpha,9alpha-Trihydroxy-6alpha-(sulfooxy)cholest-7-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.beta.,5.alpha.,6.alpha.,9.alpha.-Tetrahydroxy-cholest-...",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3(C2=CC(C4(C3(CCC(C4)O)C)O)OS(=O)(=O)O)O)C","PQWJBUCEKMAWGE-BCBAPGJRSA-N",391024,NA,"PDBC21892","689447","Present",NA,NA
+"21893","3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C15001",NA,"CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CC(=C4)C=O)C)C","IZJWIBVOSGOTPV-MZLYOWLHSA-N",256729,NA,"PDBC21893","84033","Present",NA,NA
+"21894","3beta-Acetoxy-16,17-dinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.beta.-Acetoxy-16,17-seco-5- androsten-16,17-dinitrile",NA,"CC(=O)OC1CCC2(C3CCC(C(C3CC=C2C1)CC#N)(C)C#N)C","KGTHWGNUVVKOEJ-VPIVDOTDSA-N",362466,NA,"PDBC21894","626415","Present",NA,NA
+"21895","3beta-Acetoxy-16-oxo-17-aza-D-homo-5-androsten-17alpha-one N-acetyl hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.beta.-Acetoxy-16-oxo-17-aza-D-homo-5-androsten-17.alph...",NA,"CC(=O)NN=C1C2(CCC3C(C2CC(=O)N1)CC=C4C3(CCC(C4)OC(=O)C)C)C","PBJGIBOVMXWWTJ-ALOMXMGUSA-N",135509230,NA,"PDBC21895","682447","Present",NA,NA
+"21896","3beta-Acetoxychlolest-5-en-7-nitrimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.beta.-Acetoxychlolest-5-en-7-nitrimine",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2C(=N[N+](=O)[O-])C=C4C3(CCC(C4)OC(=O)C)C)C","QEWKPCMBVRADON-NRVFZUAVSA-N",9569825,NA,"PDBC21896","620367","Present",NA,NA
+"21897","3beta-Hydroxy-16beta-N-methyl piperazino-5-androsten-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.beta.-Hydroxy-16.beta.-N-methyl piperazino-5-androsten...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)N5CCN(CC5)C)C)O","WECUVWLQFPUOCY-PRLAPGDWSA-N",386240,NA,"PDBC21897","677958","Present",NA,NA
+"21898","3beta-Hydroxy-16beta-morpholino-5-androsten-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.beta.-Hydroxy-16.beta.-morpholino-5-androsten-17-one",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(C4=O)N5CCOCC5)C)O","OJJIUBVDSXQWGO-HVWUICSASA-N",386233,NA,"PDBC21898","677951","Present",NA,NA
+"21899","3beta-Hydroxy-17a-methyl-17a-aza-D-homo-5-androsten-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.beta.-Hydroxy-17a-methyl-17a-aza-D-homo-5-androsten-17...",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CCC(=O)N4C)C)O","LSTYNRPPTUJOBK-ZMAWFSDESA-N",363155,NA,"PDBC21899","627756","Present",NA,NA
+"21900","3beta-Hydroxy-3,4beta-dimethylcyclopentane-1,1-dicarboxylic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686506",NA,"CCOC(=O)C1(CC(C(C1)(C)O)C)C(=O)OCC","RHCHJQSWYXDKKJ-JOYOIKCWSA-N",389878,NA,"PDBC21900","686506","Present",NA,NA
+"21901","3beta-Methoxy-androst-5-en-16beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Androst-5-en-16.beta.-ol, 3.beta.-methoxy- (8CI)",NA,"CC12CCC3C(C1CC(C2)O)CC=C4C3(CCC(C4)OC)C","OUMKTFKBXXEGOM-ZPNXQJJCSA-N",234498,NA,"PDBC21901","34475","Present",NA,NA
+"21902","3beta-Phenyl-4aalpha,5,6,7,7aalpha,7balpha-hexahydroindeno[1,7-cd]isoxazole-4,4(3H)-dicarboxylic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (1R,5S,7S,11R)-5-phenyl-2-oxa-3-azatricyclo[5.3.1.04,11]undec-3-ene-6,6-dicarboxylate",NA,"CCOC(=O)C1(C2CCCC3C2C(=NO3)C1C4=CC=CC=C4)C(=O)OCC","ATHDZOJILXEWAN-VVLHAWIVSA-N",401491,NA,"PDBC21902","715149","Present",NA,NA
+"21903","3beta-Pregna-5,20-diene-beta-D-xylopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.beta.-Pregna-5,20-diene-.beta.-D-xylopyranoside",NA,"CC12CCC3C(C1CCC2C=C)CC=C4C3(CCC(C4)OC5C(C(C(CO5)O)O)O)C","CJBWTAWVUJOREK-RQRPEGGESA-N",404631,NA,"PDBC21903","721059","Present",NA,NA
+"21904","3epsilon-Hydroxyvobtusine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VOBTUSINE, (3E)-HYDROXY-",NA,"COC1=CC=CC2=C1N3CC4(CC5C3(C26CCN7C6C8(C5)CCOC8CC7)O)C9C1(CCO9)CC(=C2C3(C1N(C4O)CC3)C1=CC=CC=C1N2)C(=O)OC","HUWNUSVUJDHPHX-UHFFFAOYSA-N",434382,NA,"PDBC21904","349159","Present",NA,NA
+"21905","3mhc",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3mhc",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NN=C(S4)S(=O)(=O)N","NBKDQESIWDNDOT-UHFFFAOYSA-N",394897,NA,"PDBC21905","698989","Present",NA,NA
+"21906","4''-Methylepigallocatechin gallate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CUX41G3911",NA,"COC1=C(C=C(C=C1O)C(=O)OC2CC3=C(C=C(C=C3OC2C4=CC(=C(C(=C4)O)O)O)O)O)O","BMJHAAZDURGGSC-TZIWHRDSSA-N",401129,NA,"PDBC21906","714028","Present",NA,NA
+"21907","4',5',6,7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5',6,7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=C(C2=C(CC3(C2=O)CC4=C(C3=O)C=CC(=C4C)C)C=C1)C","OUQMBSRYMWIIGA-UHFFFAOYSA-N",393826,NA,"PDBC21907","696647","Present",NA,NA
+"21908","4',5'-Dimethylspiro[1,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1',3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5'-Dimethylspiro[1,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1',3-dione",NA,"CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=C(C3=O)C=CC5=C4CCC5)C","OQOOSBMHZFYQTI-UHFFFAOYSA-N",393819,NA,"PDBC21908","696640","Present",NA,NA
+"21909","4',5'-d]Pyran-5-yl)-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5'-d]pyran-5-yl)-methanone",NA,"CC1(OC2C(O1)C(OC3C2OC(O3)(C)C)C(=O)C4=CC=CC=C4)C","INTCVMYMFRDPEA-UHFFFAOYSA-N",390935,NA,"PDBC21909","689188","Present",NA,NA
+"21910","4',5,5',6-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5,5',6-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=C(C3=O)C=C(C(=C4)C)C)C","IXJNZQGTQLJTSF-UHFFFAOYSA-N",393836,NA,"PDBC21910","696657","Present",NA,NA
+"21911","4',5,5',7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5,5',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=CC(=CC(=C4C3=O)C)C)C","VQOCLSCDIYYNPM-UHFFFAOYSA-N",393823,NA,"PDBC21911","696644","Present",NA,NA
+"21912","4',5,6',7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5,6',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=CC(=C2C(=C1)CC3(C2=O)CC4=C(C=C(C=C4C3=O)C)C)C","XCYHPMCDJGQHFV-UHFFFAOYSA-N",393832,NA,"PDBC21912","696653","Present",NA,NA
+"21913","4',5,6,7'-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5,6,7'-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=C2CC3(CC4=C(C3=O)C=C(C(=C4)C)C)C(=O)C2=C(C=C1)C","SXWAOLHXFAXOAG-UHFFFAOYSA-N",393837,NA,"PDBC21913","696658","Present",NA,NA
+"21914","4',5,6,7-Tetramethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetramethyl-o-scutellarin",NA,"COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC","URSUMOWUGDXZHU-UHFFFAOYSA-N",96118,NA,"PDBC21914","53908","Present",NA,NA
+"21915","4',5,7,7'-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5,7,7'-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=C2CC3(CC4=CC(=CC(=C4C3=O)C)C)C(=O)C2=C(C=C1)C","HZQZKNBFSCIMMZ-UHFFFAOYSA-N",393834,NA,"PDBC21915","696655","Present",NA,NA
+"21916","4',5-Dibromo-3-nitrosalicylanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5-Dibromo-3-nitrosalicylanilide",NA,"C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)Br)[N+](=O)[O-])O)Br","IXPKEGDIYPGSLP-UHFFFAOYSA-N",186163,NA,"PDBC21916","82019","Present",NA,NA
+"21917","4',5-Dihydroxy-3,3',7,8-tetramethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ternatin///NSC678107",NA,"COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC)O","DGUWNYKZOJRCQQ-UHFFFAOYSA-N",5459184,NA,"PDBC21917","640328///678107","Present",NA,NA
+"21918","4',6,7-Triacetoxyisoflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',6,7-Triacetoxyisoflavan",NA,"CC(=O)OC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)OC(=O)C)OC(=O)C","HPOLZHAMVHDITJ-UHFFFAOYSA-N",353130,NA,"PDBC21918","600290","Present",NA,NA
+"21919","4',6-Dihydroxy-5,7-dimethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"47I715GZ5Q",NA,"COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)OC)O","NFSSFGJGSUAWLF-UHFFFAOYSA-N",244386,NA,"PDBC21919","55273","Present",NA,NA
+"21920","4',7',10-Trihydroxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-indene]-1,1',3'-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',7',10-Trihydroxy-3-pentylspiro[2,6,7,8-tetrahydrobenzo[g]isoquinoline-9,2'-indene]-1,1',3'-trione",NA,"CCCCCC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CCC3)C(=O)C5=C(C=CC(=C5C4=O)O)O","UCTIZVSIQQUEHW-UHFFFAOYSA-N",5468815,NA,"PDBC21920","676768","Present",NA,NA
+"21921","4',7'-Dibromospiro[1,3-dioxolane-2,12'-tetracyclo[5.4.1.02,6.08,11]dodec-4-ene]-3'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',7'-Dibromospiro[1,3-dioxolane-2,12'-tetracyclo[5.4.1.02,6.08,11]dodec-4-ene]-3'-one",NA,"C1CC2C1C3C4C(C2(C35OCCO5)Br)C=C(C4=O)Br","IFVOJYBMKKNHBS-UHFFFAOYSA-N",276372,NA,"PDBC21921","124113","Present",NA,NA
+"21922","4'-(1H-Benzimidazol-2-yl)1,1biphenyl-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-(1H-benzimidazol-2-yl)1,1biphenyl-4-amine",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)C4=CC=C(C=C4)N","CAJHFCSQQKIMLW-UHFFFAOYSA-N",24205338,NA,"PDBC21922","735186","Present",NA,NA
+"21923","4'-(9-Acridinylamino)-3'-methoxyethanesulfonanilide methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyphen...",NA,"CCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O","HPURJIOSFDKFBF-UHFFFAOYSA-N",151601,NA,"PDBC21923","243928","Present",NA,NA
+"21924","4'-(Acetyloxy)-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-(Acetyloxy)-3,3',5,5'-tetramethyl[1,1'-biphenyl]-4-yl acetate",NA,"CC1=CC(=CC(=C1OC(=O)C)C)C2=CC(=C(C(=C2)C)OC(=O)C)C","LMLZWVLDNOFEBU-UHFFFAOYSA-N",382569,NA,"PDBC21924","670177","Present",NA,NA
+"21925","4'-(Chloroacetyl)acetanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Acetamidophenacyl chloride",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)CCl","VMMDOCYDNRLESP-UHFFFAOYSA-N",8805,NA,"PDBC21925","768","Present",NA,NA
+"21926","4'-(Isobutylthio)avarone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Isobutylthio-avarone",NA,"CC1CCC2(C(C1(C)CC3=CC(=O)C(=CC3=O)SCC(C)C)CCC=C2C)C","JRHVFNUSNXLPEX-CMRTURKBSA-N",6712610,NA,"PDBC21926","700503","Present",NA,NA
+"21927","4'-(Phenylthio)avarone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Phenylthio-avarone",NA,"CC1CCC2(C(C1(C)CC3=CC(=O)C(=CC3=O)SC4=CC=CC=C4)CCC=C2C)C","NTWJQJYCHGTDBQ-QSFFNLKPSA-N",6712609,NA,"PDBC21927","700502","Present",NA,NA
+"21928","4'-Acetoxy-3,5-trimethoxybibenzyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Acetoxy-3,4,5-trimethoxybibenzyl",NA,"CC(=O)OC1=CC=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC","MHNMUCZUHLEICK-UHFFFAOYSA-N",368082,NA,"PDBC21928","638412","Present",NA,NA
+"21929","4'-Amino-3'-methoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Amino-3-methoxyphenyl)-4H-chromen-4-one",NA,"COC1=C(C=CC(=C1)C2=CC(=O)C3=CC=CC=C3O2)N","DOCHWYMAUDTWFH-UHFFFAOYSA-N",366284,NA,"PDBC21929","634634","Present",NA,NA
+"21930","4'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sanatol tr",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O","PSRNXESQSJEQMN-UHFFFAOYSA-N",66718,NA,"PDBC21930","50686","Present",NA,NA
+"21931","4'-Chloro-3-hydroxy-2-naphthanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-chlorophenyl)-3-hydroxy-2-naphthamide",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)O","OHAXNCGNVGGWSO-UHFFFAOYSA-N",66720,NA,"PDBC21931","751298","Present",NA,NA
+"21932","4'-Chloroaurone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Chloroaurone",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)Cl)O2","JIWJNEVCSMZRGO-ZROIWOOFSA-N",5467625,NA,"PDBC21932","657004","Present",NA,NA
+"21933","4'-Chloroflavanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Chloroflavanone",NA,"C1C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)Cl","WPHGNXFETYBHNT-UHFFFAOYSA-N",242065,NA,"PDBC21933","50190","Present",NA,NA
+"21934","4'-Demethylknipholone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Demethylknipholone",NA,"CC1=CC(=C2C(=C1C3=C(C(=C(C=C3O)O)C(=O)C)O)C(=O)C4=C(C2=O)C(=CC=C4)O)O","ANEQQIJCYHLALG-UHFFFAOYSA-N",438991,NA,"PDBC21934","695598","Present",NA,NA
+"21935","4'-Deoxydoxorubicin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Deoxydoxorubicin",NA,"CC1CC(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N.Cl","RCFNNLSZHVHCEK-IMHLAKCZSA-N",24197577,NA,"PDBC21935","267469","Present",NA,NA
+"21936","4'-Ethylspiro[1,3-dioxolane-2,6'-1,4,7,8-tetrahydropyrano[3,4-f]indolizine]-3',10'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxolane-4,6'(1'H)-pyrano[3,4-f]indolizine]-3...",NA,"CCC1C2=C(COC1=O)C(=O)N3CCC4(C3=C2)OCCO4","XPSBJTPRMIDKGX-UHFFFAOYSA-N",374897,NA,"PDBC21936","653437","Present",NA,NA
+"21937","4'-Fluoro-alpha-(9H-carbazole-2-yloxy)acetophenone O-methyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(9H-Carbazol-2-yloxy)-1-(4-fluorophenyl)-N-methoxyethanimine",NA,"CON=C(COC1=CC2=C(C=C1)C3=CC=CC=C3N2)C4=CC=C(C=C4)F","WZWYBAFYZFGTDU-DARPEHSRSA-N",11462173,NA,"PDBC21937","726372","Present",NA,NA
+"21938","4'-Hydroxy-1,3',5,5'-tetraphenyl-3,4'-bipiperidin-4-one, dihydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-hydroxy-1,1'-dimethyl-3,3',5,5'-tetraphenyl-3,4'-bipi...",NA,"CN1CC(C(C(C1)C2=CC=CC=C2)(C3(CN(CC(C3=O)C4=CC=CC=C4)C)C5=CC=CC=C5)O)C6=CC=CC=C6.I","NHNYEDDSKXYUAC-UHFFFAOYSA-N",54605585,NA,"PDBC21938","39207","Present",NA,NA
+"21939","4'-Hydroxy-3',8-dimethoxy flavanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Hydroxy-3',8-dimethoxy flavanone",NA,"COC1=CC=CC2=C1OC(CC2=C)C3=CC(=C(C=C3)O)OC","MXYXASHSXFVAMY-UHFFFAOYSA-N",369615,NA,"PDBC21939","641526","Present",NA,NA
+"21940","4'-Hydroxy-5,6,7-trimethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OK09YO2BP5",NA,"COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)OC)OC","PJRWXHDCKWSIRU-UHFFFAOYSA-N",243759,NA,"PDBC21940","53906","Present",NA,NA
+"21941","4'-I-Adriamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-i-adriamycin",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)I.Cl","RIXHOXYAFWQBGU-UHFFFAOYSA-N",24200508,NA,"PDBC21941","378901","Present",NA,NA
+"21942","4'-Iodo-3-nitrosalicylanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Usaf bv-11",NA,"C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC=C(C=C2)I","TXGONIKXFWSNOU-UHFFFAOYSA-N",82692,NA,"PDBC21942","27102","Present",NA,NA
+"21943","4'-Methoxy-17'-methylspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-3'-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Methoxy-17'-methylspiro[1,3-dioxolane-2,13'-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene]-3'-ol",NA,"CN1CCC23CC4(CCC2C1CC5=C3C(=C(C=C5)OC)O)OCCO4","JTYRAFPUZSECSU-UHFFFAOYSA-N",292211,NA,"PDBC21943","157870","Present",NA,NA
+"21944","4'-Methoxy-4-(3,4,5-trimethoxystyryl)chalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-methoxyphenyl)-3-(4-(3,4,5-trimethoxystyryl)phe...",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC","JHZBWSMOTZRJHO-AKYRVGECSA-N",76336511,NA,"PDBC21944","768600","Present",NA,NA
+"21945","4'-Methoxy-alpha-(9H-carbazole-2-yloxy)acetophenone O-methyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-(9H-Carbazol-2-yloxy)-N-methoxy-1-(4-methoxyphenyl)ethanimine",NA,"COC1=CC=C(C=C1)C(=NOC)COC2=CC3=C(C=C2)C4=CC=CC=C4N3","JSFZYWQUUVJBAB-ZNTNEXAZSA-N",11405724,NA,"PDBC21945","726373","Present",NA,NA
+"21946","4'-Methyl-2,2,4,4-tetraoxospiro[1,5,2,4-dioxadithiepane-3,2'-3H-phenalene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Methyl-2,2,4,4-tetraoxospiro[1,5,2,4-dioxadithiepane-3,2'-3H-phenalene]-1'-one",NA,"CC1=C2CC3(C(=O)C4=CC=CC(=C24)C=C1)S(=O)(=O)OCCOS3(=O)=O","BMVDJEABTWNNQD-UHFFFAOYSA-N",389914,NA,"PDBC21946","686565","Present",NA,NA
+"21947","4'-Nitro-[1,1'-biphenyl]-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5660AH",NA,"C1=CC=C(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])N","AMBSXARSPPODRO-UHFFFAOYSA-N",22658,NA,"PDBC21947","30863","Present",NA,NA
+"21948","4'-O-Prenylalpinumisoflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Deoxyisoauriculatin",NA,"CC(=CCOC1=CC=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)C","OHVOXMFXCZKNPR-UHFFFAOYSA-N",5459223,NA,"PDBC21948","652733","Present",NA,NA
+"21949","4'-Thioadenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adenosine, 4'-thio-",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(S3)CO)O)O)N","SIGIJBMOORTVPB-UHFFFAOYSA-N",98140,NA,"PDBC21949","82219","Present",NA,NA
+"21950","4'-methylpenduletin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-methylpenduletin",NA,"COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)O)OC","ADNCDMHZHONBRR-UHFFFAOYSA-N",5318355,NA,"PDBC21950","685704","Present",NA,NA
+"21951","4'a-Prop-2-enylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'a-Prop-2-enylspiro[1,3-dioxolane-2,6'-4,5,7,8-tetrahydro-3H-naphthalene]-2'-one",NA,"C=CCC12CCC(=O)C=C1CCC3(C2)OCCO3","IEGFKZPXGZISTN-UHFFFAOYSA-N",359242,NA,"PDBC21951","619949","Present",NA,NA
+"21952","4(1H)-Pyrimidinone, 2,6-diamino-1-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Pyrimidinone, 2,6-diamino-1-methyl-",NA,"CN1C(=CC(=O)N=C1N)N","BAUWXNZGBVCTEM-UHFFFAOYSA-N",358313,NA,"PDBC21952","618274","Present",NA,NA
+"21953","4(1H)-Pyrimidinone, 5,6-dihydro-2-(methylthio)-1-(2,3,4-tri-O-acetylpentopyranosyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetoxy-6-(2-methylsulfanyl-6-oxo-4,5-dihydropyrimidin-3-yl)tetrahydropyran-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2CCC(=O)N=C2SC","AMBHRAQWYQTWTM-UHFFFAOYSA-N",377340,NA,"PDBC21953","658777","Present",NA,NA
+"21954","4(1H)-Quinazolinone, 1-hexopyranosyl-5,6,7,8-tetrahydro-2-[(2-hydroxyethyl)methylamino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Hydroxyethyl(methyl)amino]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6,7,8-tetrahydroquinazolin-4-one",NA,"CN(CCO)C1=NC(=O)C2=C(N1C3C(C(C(C(O3)CO)O)O)O)CCCC2","DNWNLOXKODBEMY-UHFFFAOYSA-N",374608,NA,"PDBC21954","652577","Present",NA,NA
+"21955","4(1H)-Quinazolinone,3-dihydro-2-(4-methoxy-2,5-xylyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-quinazolinone, 2,3-dihydro-2-(4-methoxy-2,5-xylyl)-",NA,"CC1=CC(=C(C=C1OC)C)C2NC3=CC=CC=C3C(=O)N2","GHUXDCRYHKWJLP-UHFFFAOYSA-N",290655,NA,"PDBC21955","154756","Present",NA,NA
+"21956","4(1H)-Quinolinone, 3-ethyl-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinolinone, 3-ethyl-2-phenyl-",NA,"CCC1=C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3","QEBSZHCSPHULQD-UHFFFAOYSA-N",382087,NA,"PDBC21956","669446","Present",NA,NA
+"21957","4(1H)-Quinolinone, 6-(1-pyrrolidinyl)-2-[3-(trifluoromethoxy)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinolinone, 6-(1-pyrrolidinyl)- 2-[3-(trifluorome...",NA,"C1CCN(C1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC(=CC=C4)OC(F)(F)F","IXOPCLABJYZIEL-UHFFFAOYSA-N",381608,NA,"PDBC21957","668421","Present",NA,NA
+"21958","4(1H)-Quinolinone, 6-chloro-1,3-dihydroxy-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinolinone, 6-chloro-1,3-dihydroxy-2-phenyl-",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=C(N2O)C=CC(=C3)Cl)O","DFOWREBUCPFDLN-UHFFFAOYSA-N",367136,NA,"PDBC21958","636523","Present",NA,NA
+"21959","4(1H)-Quinolinone,3-dihydro-6-(1-pyrrolidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinolinone, 2-(3-chlorophenyl)-2,3-dihydro-6-(1-p...",NA,"C1CCN(C1)C2=CC3=C(C=C2)NC(CC3=O)C4=CC(=CC=C4)Cl","ZOEQEDMPQAHJBM-UHFFFAOYSA-N",395560,NA,"PDBC21959","700266","Present",NA,NA
+"21960","4(1H)-Quinolone, 5,6,7,8-tetrahydro-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinolone, 5,6,7,8-tetrahydro-2-phenyl-",NA,"C1CCC2=C(C1)C(=O)C=C(N2)C3=CC=CC=C3","JQAQWCPQGMLSGO-UHFFFAOYSA-N",343668,NA,"PDBC21960","400085","Present",NA,NA
+"21961","4(3H)-Pyrimidinone, 2-(1H-benzimidazol-2-ylamino)-5-ethyl-6-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(3H)-Pyrimidinone, 2-(1H-benzimidazol-2-ylamino)-5-ethyl-6-hydroxy-",NA,"CCC1=C(N=C(NC1=O)NC2=NC3=CC=CC=C3N2)O","FOBTZKHFTADWOY-UHFFFAOYSA-N",380610,NA,"PDBC21961","666285","Present",NA,NA
+"21962","4(3H)-Pyrimidinone, 6-amino-2-(methylamino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(3H)-Pyrimidinone, 6-amino-2-(methylamino)-",NA,"CNC1=NC(=CC(=O)N1)N","JFQJCNWEJFWWHQ-UHFFFAOYSA-N",135455590,NA,"PDBC21962","618282","Present",NA,NA
+"21963","4(3H)-Pyrimidinone, 6-methyl-2-(methylthio)-3-(2,3,4,6-tetra-O-acetylhexopyranosyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)oxan-2-yl]methyl acetate",NA,"CC1=CC(=O)N(C(=N1)SC)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","WFLALMZWSCSJMU-UHFFFAOYSA-N",375921,NA,"PDBC21963","656257","Present",NA,NA
+"21964","4(3H)-Quinazolinone, 2-ethynyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772538",NA,"C#CC1=NC2=CC=CC=C2C(=O)N1","NXANOEQIIMPYKO-UHFFFAOYSA-N",136695273,NA,"PDBC21964","772538","Present",NA,NA
+"21965","4(3H)-Quinazolinone, 3-[[(2-nitrophenyl)methylene]amino]-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(3H)-Quinazolinone, 3-[[(2-nitrophenyl)methylene]amino]...",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N=CC4=CC=CC=C4[N+](=O)[O-]","OLFBCAHNOFQEPC-HYARGMPZSA-N",9556295,NA,"PDBC21965","685848","Present",NA,NA
+"21966","4, 1,1'-Bis[(6-methoxy-2-naphthalenyl)methyl]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-Bipiperidine, 1,1'-bis[(6-methoxy- 2-naphthalenyl)m...",NA,"COC1=CC2=C(C=C1)C=C(C=C2)CN3CCC(CC3)C4CCN(CC4)CC5=CC6=C(C=C5)C=C(C=C6)OC.Cl","LUPNOSLMQDNFBG-UHFFFAOYSA-N",388739,NA,"PDBC21966","683792","Present",NA,NA
+"21967","4, 1-[(6-Methoxy-2-naphthalenyl)methyl]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-Bipiperidine, 1-[(6-methoxy-2-naphthalenyl)methyl]-...",NA,"COC1=CC2=C(C=C1)C=C(C=C2)CN3CCC(CC3)C4CCNCC4.Cl","ZWWHQWHCOADMIU-UHFFFAOYSA-N",388737,NA,"PDBC21967","683791","Present",NA,NA
+"21968","4, N,N''-Bis[p-(methylamidino)phenyl]-, tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,1'-Biphenyl]-4,4'-dicarboximidamide, N,N''-bis[4-[imi...",NA,"CN=C(C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)C3=CC=C(C=C3)C(=NC4=CC=C(C=C4)C(=NC)N)N)N)N.Cl","CFKHZFVAAWSCPW-UHFFFAOYSA-N",54605955,NA,"PDBC21968","77883","Present",NA,NA
+"21969","4, N4,N4'-1,6-Hexanediylbis[2-methyl-, tetraacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Quinolinediamine, N(4),N(4)-1,6-hexanediylbis[2-meth...",NA,"CC1=CC(=C2C=C(C=CC2=N1)N)NCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)N.CC(=O)O","LSRAVPLRIOILDT-UHFFFAOYSA-N",21123062,NA,"PDBC21969","238146","Present",NA,NA
+"21970","4, N4,N4'-1,6-Hexanediylbis[N7,N7-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Quinolinediamine, N(4),N(4')-1,6-hexanediylbis[N(7),...",NA,"CN(C)C1=CC2=NC=CC(=C2C=C1)NCCCCCCNC3=C4C=CC(=CC4=NC=C3)N(C)C","HKCSFOBYHHXGJX-UHFFFAOYSA-N",329578,NA,"PDBC21970","313159","Present",NA,NA
+"21971","4, N4,N4'-1,8-Octanediylbis[2-methyl-, diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Quinolinediamine, N4,N4'-1,8-octanediylbis[2-methyl-...",NA,"CC1=CC(=C2C=CC(=CC2=N1)N)NCCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N.CC(=O)O","FJMBEAPPZCQHEN-UHFFFAOYSA-N",21123157,NA,"PDBC21971","270904","Present",NA,NA
+"21972","4,10,12-Triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,11-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,10,12-Triphenyl-1,5,7,10,11-pentazatricyclo[7.3.0.02,6]dodeca-2,4,6,8,11-pentaene",NA,"C1=CC=C(C=C1)C2=NC3=NC=C4N(N=C(N4C3=C2)C5=CC=CC=C5)C6=CC=CC=C6","UJUGDZLKPDORTG-UHFFFAOYSA-N",45029436,NA,"PDBC21972","746803","Present",NA,NA
+"21973","4,10-Bis(3-ethynylphenyl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-3,5,9,11-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Ethenobenzo[1,2-c:4,5-c']dipyrrole-1,3,5,7(2H,6H)- t...",NA,"C#CC1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)C6=CC=CC(=C6)C#C","FQMQJOTYMKWZHX-UHFFFAOYSA-N",365547,NA,"PDBC21973","633253","Present",NA,NA
+"21974","4,10-Diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaen-6-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,10-Diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),2,4,11,13,15-hexaen-6-one;hydrobromide",NA,"C1CC(=O)C2=NC=CC3=C2N(C1)C4=CC=CC=C34.Br","XYUNLYCEMOVSHE-UHFFFAOYSA-N",360605,NA,"PDBC21974","622809","Present",NA,NA
+"21975","4,10-Dihydroxy-1,7-phenanthroline-3,9-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,10-Dihydroxy-1,7-phenanthroline-3,9-dicarboxylic acid",NA,"C1=CC2=C(C3=C1C(=O)C(=CN3)C(=O)O)C(=O)C(=CN2)C(=O)O","GIFCDUXKRJFRTJ-UHFFFAOYSA-N",278926,NA,"PDBC21975","128884","Present",NA,NA
+"21976","4,10-Dimethyl-3,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),2,5,8,11,13,15-heptaene-5,9-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,10-Dimethyl-3,4,10,11-tetrazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),2,5,8,11,13,15-heptaene-5,9-diamine",NA,"CN1C(=C2CC3=C(N(N=C3C4=CC=CC=C4C2=N1)C)N)N","WKEGKAPTUVUQTE-UHFFFAOYSA-N",386054,NA,"PDBC21976","677623","Present",NA,NA
+"21977","4,10-Dimethylbenzo[b][1,8]naphthyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,10-Dimethylbenzo[b][1,8]naphthyridin-5-one",NA,"CC1=C2C(=O)C3=CC=CC=C3N(C2=NC=C1)C","LFCIHJQVGYEXJG-UHFFFAOYSA-N",391090,NA,"PDBC21977","689625","Present",NA,NA
+"21978","4,10-Dioxa-3,11-diazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),2,5,8,11,13,15-heptaene-5,9-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,10-Dioxa-3,11-diazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),2,5,8,11,13,15-heptaene-5,9-diamine",NA,"C1C2=C(ON=C2C3=CC=CC=C3C4=NOC(=C41)N)N","UKNXRMPGJWQLGS-UHFFFAOYSA-N",386053,NA,"PDBC21978","677622","Present",NA,NA
+"21979","4,10-Ethano-1,7-dimethyl-1,4,7,10-tetraazacyclotridecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Dimethyl-1,5,8,11-tetrazabicyclo[6.5.2]pentadecane",NA,"CN1CCCN2CCN(CCN(CC1)CC2)C","IBPQXENBZARETM-UHFFFAOYSA-N",398650,NA,"PDBC21979","708809","Present",NA,NA
+"21980","4,11-Bis((4-methylphenyl)sulfonyl)-1,8-dithia-4,11-diazacyclotetradecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-Bis((4-methylphenyl)sulfonyl)-1,8-dithia-4,11-diazacyclotetradecane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCCN(CCCSCC2)S(=O)(=O)C3=CC=C(C=C3)C","IKDOVWDYZYKAAE-UHFFFAOYSA-N",373819,NA,"PDBC21980","650782","Present",NA,NA
+"21981","4,11-Bis(2-aminoethylamino)-3-[(dimethylamino)methyl]-1H-naphtho[2,3-f]indole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-bis[(2-aminoethyl)amino]-3-[(dimethylamino)methyl]-...",NA,"CN(C)CC1=CNC2=C1C(=C3C(=C2NCCN)C(=O)C4=CC=CC=C4C3=O)NCCN","SEOSAJHANWXCPY-UHFFFAOYSA-N",24203006,NA,"PDBC21981","726448","Present",NA,NA
+"21982","4,11-Bis[2-(2-hydroxyethylamino)ethylamino]-1H-naphtho[2,3-f]indole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-bis[[2-[(2-hydroxyethyl)amino-]ethyl]amino]-1H-naph...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C4=C(C(=C3C2=O)NCCNCCO)NC=C4)NCCNCCO","QMFUMLXBYPVCNG-UHFFFAOYSA-N",406502,NA,"PDBC21982","724629","Present",NA,NA
+"21983","4,11-Bis[2-(dimethylamino)ethylamino]-3-(hydroxymethyl)-1H-naphtho[2,3-f]indole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-bis{[2-(dimethylamino)ethyl]amino}-3-(hydroxymethyl...",NA,"CN(C)CCNC1=C2C(=C(C3=C1C(=CN3)CO)NCCN(C)C)C(=O)C4=CC=CC=C4C2=O","MTPSICXSXPVYIX-UHFFFAOYSA-N",24203003,NA,"PDBC21983","726445","Present",NA,NA
+"21984","4,11-Bis[2-(dimethylamino)ethylamino]-3-[(dimethylamino)methyl]-1H-naphtho[2,3-f]indole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-bis[[2-(methylamino)ethyl]amino]-3-[(dimethylamino)...",NA,"CN(C)CCNC1=C2C(=C(C3=C1C(=CN3)CN(C)C)NCCN(C)C)C(=O)C4=CC=CC=C4C2=O","DPWADAZNRUICMW-UHFFFAOYSA-N",24203002,NA,"PDBC21984","726444","Present",NA,NA
+"21985","4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione, 11-methyl-4-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-Diazatricyclo[5.3.1.0(2,6)]undecane-3,5,8-trione, 1...",NA,"CN1C2C=CC(=O)C1C3C2C(=O)N(C3=O)C4=CC=CC=C4","RWCGNTKHOIIGNF-UHFFFAOYSA-N",343412,NA,"PDBC21985","382837","Present",NA,NA
+"21986","4,11-Diethyl-3,5-dihydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-Diethyl-3,5-dihydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-14-one",NA,"CCC1C2=CC(=O)OC3=C4C(C(C(OC4=C(C(C23)O1)CC=C(C)C)(C)O)(C)CC)O","GZTRBGOKFUFZBR-UHFFFAOYSA-N",393698,NA,"PDBC21986","696132","Present",NA,NA
+"21987","4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-triene-3,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-triene-3,14-dione",NA,"CCC1C2=CC(=O)OC3=C4C(=C(C(C23)O1)CC=C(C)C)OC(C(C4=O)(C)CC)(C)O","YDGLBQYSHITGMI-UHFFFAOYSA-N",393697,NA,"PDBC21987","696131","Present",NA,NA
+"21988","4,11-Dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-Dimethyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-imine",NA,"CN1CCC2=C(C1)SC3=C2C(=N)N(C=N3)C","ALWWYNFMXATIMB-UHFFFAOYSA-N",397286,NA,"PDBC21988","704839","Present",NA,NA
+"21989","4,11-Epithio-1H-naphth[2,3-f]isoindole-1,3(2H)-dione, 3a,4,11,11a-tetrahydro-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-Epithio-1H-naphth[2,3-f]isoindole-1,3(2H)-dione, 3a,4,11,11a-tetrahydro-2-phenyl-",NA,"C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC6=CC=CC=C6C=C5C3S4","FKHRJQRQRDBPQA-UHFFFAOYSA-N",363049,NA,"PDBC21989","627597","Present",NA,NA
+"21990","4,12,19,27-Tetrazatetracyclo[28.3.1.05,11.020,26]tetratriaconta-1(34),5,7,9,11,19,21,23,25,30,32-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,12,19,27-Tetrazatetracyclo[28.3.1.05,11.020,26]tetratriaconta-1(34),5,7,9,11,19,21,23,25,30,32-undecaene",NA,"C1CCCN=C2C=CC=CC=C2NCCC3=CC=CC(=C3)CCNC4=CC=CC=CC4=NCC1","RSVJCIJLYCTDML-UHFFFAOYSA-N",358332,NA,"PDBC21990","618297","Present",NA,NA
+"21991","4,13,17,21-Pentamethyl-docosa-4,8,12,16,20-pentaenoic acid[1-(3,3-difluoro-4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-2-oxo-1,2-dihydro-pyrimidin-4-yl]-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8,13,17,21-Pentamethyl-docosa-4,8,12,16,20-pentaenoic ...",NA,"CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)F)C)C)C","XHTNLZSBAIUJKQ-XBIRMSLCSA-N",45028841,NA,"PDBC21991","744622","Present",NA,NA
+"21992","4,13-Dimethyl-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,13-Dimethyl-7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(10),2(7),3,5,11,13-hexaene;bromide",NA,"CC1=CC2=[N+](CC[N+]3=C2C=C(C=C3)C)C=C1.[Br-]","AJXYQVGHSRJLNL-UHFFFAOYSA-M",358067,NA,"PDBC21992","617846","Present",NA,NA
+"21993","4,13-Dimethyl-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,13-Dimethyl-8,12-dithia-10,15-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10-trien-16-one",NA,"CC1CCC2=C(C1)C3=C(S2)N=C4N(C3=O)CC(S4)C","UJNYIIFLYZLAIS-UHFFFAOYSA-N",402555,NA,"PDBC21993","716579","Present",NA,NA
+"21994","4,13alpha-Epoxymuzigadial",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,13.alpha.-Epoxymuzigadial",NA,"CC1CCC2(C(C13CO3)CC=C(C2(C=O)O)C=O)C","IKBRISACRWTWBS-UHFFFAOYSA-N",362379,NA,"PDBC21994","626146","Present",NA,NA
+"21995","4,14-Bis(2-hydroxyethyl)-7,11-bis(sulfanylidene)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,14-Bis(2-hydroxyethyl)-7,11-bis(sulfanylidene)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,13-dione",NA,"C1=C2C(=S)NC(=O)N(C2=NC3=C1C(=S)NC(=O)N3CCO)CCO","VQUYTOKRJNWJBX-UHFFFAOYSA-N",3906488,NA,"PDBC21995","700543","Present",NA,NA
+"21996","4,15,20,31-Tetramethoxy-6,8,11,13,22,24,27,29-octaazaheptacyclo(28.2.2.2(2,5).2(8,11).2(14,17).2(18,21).2(24,27))tetratetraconta-1(32),2,4,14,16,18,20,30,33,37,39,43-dodecaene-7,12,23,28-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,15,20,31-Tetramethoxy-6,8,11,13,22,24,27,29-octazaheptacyclo[28.2.2.22,5.28,11.214,17.218,21.224,27]tetratetraconta-1(32),2,4,14,16,18,20,30,33,37,39,43-dodecaene-7,12,23,28-tetrone",NA,"COC1=C2C=CC(=C1)C3=CC(=C(C=C3)NC(=O)N4CCN(CC4)C(=O)NC5=C(C=C(C=C5)C6=CC(=C(C=C6)NC(=O)N7CCN(CC7)C(=O)N2)OC)OC)OC","RXTAFWDTBCAGPM-UHFFFAOYSA-N",235812,NA,"PDBC21996","37554","Present",NA,NA
+"21997","4,17beta-Dihydroxy-3-oxo-4-androstene-2-carbonitrile diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,17.beta.-Dihydroxy-3-oxo-4-androstene- 2-carbonitrile ...",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4=C(C(=O)C(CC34C)C#N)OC(=O)C)C","WDOBMYWYQITUSE-ANJWAGRGSA-N",362464,NA,"PDBC21997","626413","Present",NA,NA
+"21998","4,17beta-Dihydroxy-3-oxo-4-androstene-2-carbonitrile-17-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,17.beta.-Dihydroxy-3-oxo-4-androstene -2-carbonitrile-...",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4=C(C(=O)C(CC34C)C#N)O)C","MHUSDNCLXWFRLU-GWTFTYCASA-N",362465,NA,"PDBC21998","626414","Present",NA,NA
+"21999","4,2'-Disulfonic acid, tetrasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QUINOBENE",NA,"C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=CC(=C6C=CC=NC6=C5O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","LUJPSDYZJHCYQH-YAJWCRJYSA-N",135510137,NA,"PDBC21999","638352","Present",NA,NA
+"22000","4,2-Diyl}bi s[N-(2-aminophenyl)b enzamide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,2-diyl}bi s[N-(2-aminophenyl)b enzamide]",NA,"C=C(CN(CCN1CCOCC1)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","SZJXZAIAHBKAOO-UHFFFAOYSA-N",24203889,NA,"PDBC22000","730006","Present",NA,NA
+"22001","4,2-Pohenylenebis(oxymethylene)]bisbenzenecarboximidam ide, dihydrochloride salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-[1,2-pohenylenebis(oxymethylene)]bisbenzenecarboxim...",NA,"C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=N)N)OCC3=CC=C(C=C3)C(=N)N.Cl","SUAVPMRTKRWMAF-UHFFFAOYSA-N",24203367,NA,"PDBC22001","727670","Present",NA,NA
+"22002","4,3-Phenylenebis(methyleneoxy)] bisbenzenecarboximidamide, dihydrochloride salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-[1,3-phenylenebis(methyleneoxy)] bisbenzenecarboxim...",NA,"C1=CC(=CC(=C1)COC2=CC=C(C=C2)C(=N)N)COC3=CC=C(C=C3)C(=N)N.Cl","OHYCPCMYFBOJMX-UHFFFAOYSA-N",24203365,NA,"PDBC22002","727667","Present",NA,NA
+"22003","4,3-f] Indole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-dihydroxy-1-[4-(1-piperidinyl)-butyl]-1H-naphtho[2,...",NA,"C1CCN(CC1)CCCCN2C=CC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O","IFUVNVBJKAZYEC-UHFFFAOYSA-N",406505,NA,"PDBC22003","724632","Present",NA,NA
+"22004","4,3-f] Indole-5,10-dione diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11- bis[(2-aminoethyl)amino]-3-(hydroxymethyl)-1H-naph...",NA,"CC(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C4=C(C(=C3C2=O)NCCN)NC=C4CO)NCCN","OUYONVLGFXWCQL-UHFFFAOYSA-N",24203007,NA,"PDBC22004","726449","Present",NA,NA
+"22005","4,3-f]In dole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-bis[[2-(dimethylamino)ethyl]-amino]-1H-naphtho[2,3-...",NA,"CN(C)CCNC1=C2C(=C(C3=C1C=CN3)NCCN(C)C)C(=O)C4=CC=CC=C4C2=O","ZRXDVCHRRZECNK-UHFFFAOYSA-N",406501,NA,"PDBC22005","724628","Present",NA,NA
+"22006","4,3-f]Indo le-5,10-dione diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-bis[(2-aminoethyl)amino]-1-methyl-1H-naphtho[2,3-f]...",NA,"CC(=O)O.CN1C=CC2=C(C3=C(C(=C21)NCCN)C(=O)C4=CC=CC=C4C3=O)NCCN","JCGRNDINOJWIGN-UHFFFAOYSA-N",24202987,NA,"PDBC22006","726434","Present",NA,NA
+"22007","4,3-f]Indo le-5,10-dione dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-dihydroxy-3-(1-piperazinylmethyl)-1H-naphtho[2,3-f]...",NA,"C1CN(CCN1)CC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O.Cl","FQHGQCVNTJXWDP-UHFFFAOYSA-N",135585399,NA,"PDBC22007","726440","Present",NA,NA
+"22008","4,3-f]Indol e-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-bis[[2-(methylamino)ethyl]amino]-1H-naphtho[2,3-f]i...",NA,"CNCCNC1=C2C(=C(C3=C1C=CN3)NCCNC)C(=O)C4=CC=CC=C4C2=O","AXSQZZOUJLWOOO-UHFFFAOYSA-N",16007259,NA,"PDBC22008","726436","Present",NA,NA
+"22009","4,3-f]Indole-5,10-d ione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-bis[(2-aminoethyl)amino]-1H-naphtho[2,3-f]indole-5,...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C4=C(C(=C3C2=O)NCCN)NC=C4)NCCN","GWNRWDLWFKJZKW-UHFFFAOYSA-N",406500,NA,"PDBC22009","724627","Present",NA,NA
+"22010","4,3-f]i Ndole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-dihydroxy-1-[4-(4-morpholinyl)butyl]-1H-naphtho[2,3...",NA,"C1COCCN1CCCCN2C=CC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O","PSPYFCFGMNYFMG-UHFFFAOYSA-N",406506,NA,"PDBC22010","724633","Present",NA,NA
+"22011","4,31-Dimethyl-13,16,19,22,40,43,46,49-octakis-(4-methylphenyl)sulfonyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-octadecazapentacyclo[50.2.2.27,10.225,28.234,37]dohexacontane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,31-Dimethyl-13,16,19,22,40,43,46,49-octakis-(4-methylphenyl)sulfonyl-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-octadecazapentacyclo[50.2.2.27,10.225,28.234,37]dohexacontane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN3CCN(CCN(CCN4CCN(CC4)CCN(CCN(CCN(CCN(CCN5CCN(CCN(CCN6CCN(CC6)CCN(CCN(CCN(CC2)S(=O)(=O)C7=CC=C(C=C7)C)S(=O)(=O)C8=CC=C(C=C8)C)S(=O)(=O)C9=CC=C(C=C9)C)C)CC5)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C1=CC=C(C=C1)C)C)CC3","JBBLUWZUMNUUHT-UHFFFAOYSA-N",387902,NA,"PDBC22011","682133","Present",NA,NA
+"22012","4,4',5',6-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4',5',6-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=C(C=C(C=C4C3=O)C)C)C","MUDLXEBQQNPLKQ-UHFFFAOYSA-N",393833,NA,"PDBC22012","696654","Present",NA,NA
+"22013","4,4',5',7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4',5',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=C(C2=C(C=C1)C(=O)C3(C2)CC4=C(C=CC(=C4C3=O)C)C)C","LWHLLQXQLNXHLH-UHFFFAOYSA-N",393824,NA,"PDBC22013","696645","Present",NA,NA
+"22014","4,4',5,5',6,6'-Hexahydroxy[1,1'-biphenyl]-2,2'-dicarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4',5,5',6,6'-Hexahydroxy[1,1'-biphenyl]-2,2'-dicarbaldehyde",NA,"C1=C(C(=C(C(=C1O)O)O)C2=C(C(=C(C=C2C=O)O)O)O)C=O","KIYPEIJLQVMIMH-UHFFFAOYSA-N",372290,NA,"PDBC22014","647349","Present",NA,NA
+"22015","4,4',5,5'-Tetramethoxy[1,1'-biphenyl]-2,2'-dicarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4',5,5'-Tetramethoxy[1,1'-biphenyl]-2,2'-dicarbaldehyde",NA,"COC1=C(C=C(C(=C1)C=O)C2=CC(=C(C=C2C=O)OC)OC)OC","LCUJDGQKKNLFOJ-UHFFFAOYSA-N",372289,NA,"PDBC22015","647347","Present",NA,NA
+"22016","4,4'-(1E,1'E)-2,2'-(1-Phenyl-1H-pyrazole-3,5-diyl)bis(ethene-2,1-diyl)bis(2-methoxyphenol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-bis(4-hydroxy-3-methoxystyryl)-1H-pyrazole-1-phenyl",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C3=CC=CC=C3)C=CC4=CC(=C(C=C4)O)OC)O","QUOCIDQIFWYHLB-QHKWOANTSA-N",135440402,NA,"PDBC22016","757929","Present",NA,NA
+"22017","4,4'-(2,7-Dimethyloctane-2,7-diyl)bis(1,3-diazetidin-2-one)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-(2,7-Dimethyloctane-2,7-diyl)bis(1,3-diazetidin-2-one)",NA,"CC(C)(CCCCC(C)(C)C1NC(=O)N1)C2NC(=O)N2","MCZQIBGWHRTFPI-UHFFFAOYSA-N",379206,NA,"PDBC22017","663617","Present",NA,NA
+"22018","4,4'-(Decamethylenebisoxy)bisbenzamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Decamidine",NA,"C1=CC(=CC=C1C(=N)N)OCCCCCCCCCCOC2=CC=C(C=C2)C(=N)N","MADWRMXDSAGCDJ-UHFFFAOYSA-N",73892806,NA,"PDBC22018","797623","Present",NA,NA
+"22019","4,4'-(Decylcarbonimidoyl)bis(n,n-dimethylaniline)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC30083",NA,"CCCCCCCCCCN=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C","GEMLALBJYTZAJC-UHFFFAOYSA-N",232517,NA,"PDBC22019","30083","Present",NA,NA
+"22020","4,4'-(Dithiodimethylene)dipyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5JVO6RU58B",NA,"C1=CN=CC=C1CSSCC2=CC=NC=C2","DAVWLGVBAUGEOK-UHFFFAOYSA-N",199500,NA,"PDBC22020","92988","Present",NA,NA
+"22021","4,4'-(Hydroxyphosphoryl)bis(3-bromobenzoic acid)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-(Hydroxyphosphoryl)bis(3-bromobenzoic acid)",NA,"C1=CC(=C(C=C1C(=O)O)Br)P(=O)(C2=C(C=C(C=C2)C(=O)O)Br)O","CDDLJPJHIZMBOV-UHFFFAOYSA-N",380788,NA,"PDBC22021","666498","Present",NA,NA
+"22022","4,4'-(Piperazine-1,4-diyl)dibenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-(1,4-piperazinediyl)bisbenzaldehyde",NA,"C1CN(CCN1C2=CC=C(C=C2)C=O)C3=CC=C(C=C3)C=O","FZUIYMOPBHBVJH-UHFFFAOYSA-N",3006251,NA,"PDBC22022","725988","Present",NA,NA
+"22023","4,4'-Azoxyanisole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694092",NA,"COC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OC)[O-]","KAEZRSFWWCTVNP-UHFFFAOYSA-N",15277,NA,"PDBC22023","694092","Present",NA,NA
+"22024","4,4'-Azoxybis[N-(5-methyl-3-isoxazolyl)-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azoxysulfamethoxazole (1,2-bis[4-(5-methylisoxazol-3-yl-...",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=[N+](C3=CC=C(C=C3)S(=O)(=O)NC4=NOC(=C4)C)[O-]","AYMVIVQKFDDNLC-UHFFFAOYSA-N",380145,NA,"PDBC22024","665548","Present",NA,NA
+"22025","4,4'-Bis(4-chlorophenyl)-7,7,7',7'-tetramethyl-2,2'-spirobi[3,4,6,8-tetrahydrochromene]-5,5'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-bis(4-chlorophenyl)-7,7,7',7'-tetramethyl-2,2'-spirobi[3,4,6,8-tetrahydrochromene]-5,5'-dione",NA,"CC1(CC2=C(C(CC3(O2)CC(C4=C(O3)CC(CC4=O)(C)C)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl)C(=O)C1)C","KSFUQJLKQNDMGJ-UHFFFAOYSA-N",394688,NA,"PDBC22025","698291","Present",NA,NA
+"22026","4,4'-Bis(diethylamino)benzophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC70660",NA,"CCN(CC)C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(CC)CC","VYHBFRJRBHMIQZ-UHFFFAOYSA-N",66663,NA,"PDBC22026","70660","Present",NA,NA
+"22027","4,4'-Bis(dimethylamino)thiobenzophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"michler's thione",NA,"CN(C)C1=CC=C(C=C1)C(=S)C2=CC=C(C=C2)N(C)C","KFUJUTFTRXYQMG-UHFFFAOYSA-N",71045,NA,"PDBC22027","30656","Present",NA,NA
+"22028","4,4'-Bis[2-chlorothiophene]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AI-942/13331095",NA,"C1=C(SC=C1C2=CSC(=C2)Cl)Cl","IDMNNVXJHIIHOP-UHFFFAOYSA-N",329490,NA,"PDBC22028","312629","Present",NA,NA
+"22029","4,4'-Diamidinostilbene dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stilbamidine dihydrochloride",NA,"C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=N)N)C(=N)N.Cl","GXRWPOFISPKCFY-TYYBGVCCSA-N",54601068,NA,"PDBC22029","35605","Present",NA,NA
+"22030","4,4'-Dihydroxybenzophenone 2,4-dinitro-5-chlorophenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[N-(5-Chloro-2,4-dinitroanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol",NA,"C1=CC(=CC=C1C(=NNC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl)C3=CC=C(C=C3)O)O","PIVWNMNUOAHWRO-UHFFFAOYSA-N",135546138,NA,"PDBC22030","746311","Present",NA,NA
+"22031","4,4'-Dihydroxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CKY3J88Z94",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)O)O","FZQLEXXZAVVCCA-XCVCLJGOSA-N",5467477,NA,"PDBC22031","652891","Present",NA,NA
+"22032","4,4'-Dihydroxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p,p'-Dihydroxystilbene",NA,"C1=CC(=CC=C1C=CC2=CC=C(C=C2)O)O","XLAIWHIOIFKLEO-OWOJBTEDSA-N",5282363,NA,"PDBC22032","4184","Present",NA,NA
+"22033","4,4'-Dimethyl-5,5'-bis((E)-1-(2-phenylhydrazono)ethyl)-2,2'-bithiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-[2-[5-[(E)-N-Anilino-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]aniline",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=NNC3=CC=CC=C3)C)C)C(=NNC4=CC=CC=C4)C","LRXLIASYQGTLOH-XUIWWLCJSA-N",9555852,NA,"PDBC22033","642071","Present",NA,NA
+"22034","4,4'-Dinitrobenzanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC15360///NSC38562",NA,"C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","NOMOTPVSNBNBSG-UHFFFAOYSA-N",80625,NA,"PDBC22034","15360///38562","Present",NA,NA
+"22035","4,4'-Dithio-5,5'-bi[1,3-dithiol-2-one]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,7,8,10,12-Hexathiatricyclo[7.3.0.02,6]dodeca-1(9),2(6)-diene-4,11-dione",NA,"C12=C(SC(=O)S1)SSC3=C2SC(=O)S3","YTGPGBUKPDTQAT-UHFFFAOYSA-N",391274,NA,"PDBC22035","690228","Present",NA,NA
+"22036","4,4'-Dithiodimorpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Accel R",NA,"C1COCCN1SSN2CCOCC2","HLBZWYXLQJQBKU-UHFFFAOYSA-N",7648,NA,"PDBC22036","65239","Present",NA,NA
+"22037","4,4'-Methylenebis(2,6-dimethylphenol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-methylenedi-2,6-xylenol",NA,"CC1=CC(=CC(=C1O)C)CC2=CC(=C(C(=C2)C)O)C","AZZWZMUXHALBCQ-UHFFFAOYSA-N",79345,NA,"PDBC22037","128403","Present",NA,NA
+"22038","4,4'-Methylenebis[2-(propyliminomethyl)phenol]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 4,4'-methylenebis[2-[(propylimino)methyl]-",NA,"CCCN=CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)O)C=NCCC)O","UCQKDEGUCMGLEC-UHFFFAOYSA-N",318342,NA,"PDBC22038","254304","Present",NA,NA
+"22039","4,4'-Sulfinyldiphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-sulfinyldiphenol",NA,"C1=CC(=CC=C1O)S(=O)C2=CC=C(C=C2)O","RQCACQIALULDSK-UHFFFAOYSA-N",74497,NA,"PDBC22039","1806","Present",NA,NA
+"22040","4,4'-Sulfonylbis(7H-benzimidazo[2,1-a]benzo[de]isoquinoline-7-one)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-[(11-Oxo-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-nonaen-15-yl)sulfonyl]-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(19),2,4,6,8,12(20),13,15,17-n",NA,"C1=CC=C2C(=C1)N=C3N2C(=O)C4=C5C3=CC=CC5=C(C=C4)S(=O)(=O)C6=C7C=CC=C8C7=C(C=C6)C(=O)N9C8=NC1=CC=CC=C19","PAZQQCMVOCVSQF-UHFFFAOYSA-N",341016,NA,"PDBC22040","372364","Present",NA,NA
+"22041","4,4'-Sulfonylbis[(4,1-phenylene)(1,3,4-oxadiazole-5,2-diyl)]bis(1-fluorobenzene)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenyl)-5-[4-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]sulfonylphenyl]-1,3,4-oxadiazole",NA,"C1=CC(=CC=C1C2=NN=C(O2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C5=NN=C(O5)C6=CC=C(C=C6)F)F","COUSZAQHMZXOPS-UHFFFAOYSA-N",403541,NA,"PDBC22041","718557","Present",NA,NA
+"22042","4,4'-Thiobis(6-tert-butyl-m-cresol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"santox",NA,"CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O","HXIQYSLFEXIOAV-UHFFFAOYSA-N",7308,NA,"PDBC22042","35388","Present",NA,NA
+"22043","4,4'-Thiobis[3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-Thiobis[3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol]",NA,"CC1(C2C1CC(C(C2)SC3CC4C(C4(C)C)CC3(C)O)(C)O)C","VTOLOYGWYKBTJJ-UHFFFAOYSA-N",375777,NA,"PDBC22043","655930","Present",NA,NA
+"22044","4,4'-Trimethylenebis(1-(2,4-dinitrophenyl)piperidine)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,4-Dinitrophenyl)-4-[3-[1-(2,4-dinitrophenyl)piperidin-4-yl]propyl]piperidine",NA,"C1CN(CCC1CCCC2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","PESNHXWDXMFKOM-UHFFFAOYSA-N",292552,NA,"PDBC22044","158378","Present",NA,NA
+"22045","4,4'-Vinylenedipyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T6NJ D1U1- DT6NJ",NA,"C1=CN=CC=C1C=CC2=CC=NC=C2","MGFJDEHFNMWYBD-OWOJBTEDSA-N",776222,NA,"PDBC22045","11470","Present",NA,NA
+"22046","4,4'-[N-(2-Iminoethylene) N-methyl imino)benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-[N-(2-iminoethylene) N-methyl imino)benzenecarboxim...",NA,"CN(CCNC1=CC=C(C=C1)C(=N)N)C2=CC=C(C=C2)C(=N)N.Cl","QZGXJSAMGVAJMU-UHFFFAOYSA-N",45028251,NA,"PDBC22046","741916","Present",NA,NA
+"22047","4,4':3,4]Cyclobut[1,2-f]isoindole-1,3,5,7(2H,6H)-tetrone,octahydro-2,6-bis(hydroxymethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Ethanopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-1,3...",NA,"C1CC2C3C(C1C4C2C(=O)N(C4=O)CO)C5C3C(=O)N(C5=O)CO","RBVWZKYMWFROTK-UHFFFAOYSA-N",341961,NA,"PDBC22047","376598","Present",NA,NA
+"22048","4,4,11,11-Tetramethyl-8-[(E)-2-nitroethenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,11,11-Tetramethyl-8-[(E)-2-nitroethenyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane",NA,"CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)C=C[N+](=O)[O-])C","PDOCTJUENKPCLN-AATRIKPKSA-N",5386824,NA,"PDBC22048","618262","Present",NA,NA
+"22049","4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1,3-butanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,4-Trifluoro-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1,3-butanediol",NA,"COC1=CC=C(C=C1)C(CC(C(F)(F)F)(C(F)(F)F)O)O","AZJHEHMCDGFJGU-UHFFFAOYSA-N",379596,NA,"PDBC22049","664290","Present",NA,NA
+"22050","4,4,4-Trifluoro-3-hydroxy-1-(2-methoxyphenyl)-3-(trifluoromethyl)-2-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,4-Trifluoro-3-hydroxy-1-(2-methoxyphenyl)-3-(trifluoromethyl)-2-butanone",NA,"COC1=CC=CC=C1CC(=O)C(C(F)(F)F)(C(F)(F)F)O","DSPRLNCWLPBSOB-UHFFFAOYSA-N",379586,NA,"PDBC22050","664275","Present",NA,NA
+"22051","4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone",NA,"C1=CSC(=C1)C(=O)CC(C(F)(F)F)(C(F)(F)F)O","XYURDMMAZIHRCO-UHFFFAOYSA-N",293450,NA,"PDBC22051","160047","Present",NA,NA
+"22052","4,4,4-Trifluoro-3-hydroxy-1-(3-(hydroxy(oxido)amino)-4-methylphenyl)-3-(trifluoromethyl)-1-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,4-Trifluoro-3-hydroxy-1-(4-methyl-3-nitrophenyl)-3-(trifluoromethyl)butan-1-one",NA,"CC1=C(C=C(C=C1)C(=O)CC(C(F)(F)F)(C(F)(F)F)O)[N+](=O)[O-]","MLXSNTXMNHRXLH-UHFFFAOYSA-N",379529,NA,"PDBC22052","664193","Present",NA,NA
+"22053","4,4,4-Trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,4-Trifluoro-3-hydroxy-1-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butan-1-one",NA,"CC12CCC(CC1CCC3C2CCC4(C3CCC4C(=O)CC(C(F)(F)F)O)C)O","JVSPILBDVWXPBS-UHFFFAOYSA-N",239763,NA,"PDBC22053","45236","Present",NA,NA
+"22054","4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)-1-butanone hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,4-Trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)-1-butanone hydrazone",NA,"C1=CC=C(C=C1)C(=NN)CC(C(F)(F)F)(C(F)(F)F)O","MOLVZKURSYCJAE-UWVJOHFNSA-N",5915856,NA,"PDBC22054","659226","Present",NA,NA
+"22055","4,4,4-Triphenylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,4-Triphenylbutanoic acid",NA,"C1=CC=C(C=C1)C(CCC(=O)O)(C2=CC=CC=C2)C3=CC=CC=C3","UGHIPOMCWKJUAO-UHFFFAOYSA-N",270495,NA,"PDBC22055","112938","Present",NA,NA
+"22056","4,4,5,5-Tetraphenyl-1,3,2-dioxathiolane 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,5,5-Tetraphenyl-1,3,2-dioxathiolane 2-oxide",NA,"C1=CC=C(C=C1)C2(C(OS(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","PTYZVNIRLCVZBR-UHFFFAOYSA-N",368852,NA,"PDBC22056","640188","Present",NA,NA
+"22057","4,4,6,6-Tetramethyl-11-oxabicyclo[8.1.0]undecan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,6,6-Tetramethyl-11-oxabicyclo[8.1.0]undecan-5-one",NA,"CC1(CCCC2C(O2)CCC(C1=O)(C)C)C","LTVIPBUWHMQWRE-UHFFFAOYSA-N",385894,NA,"PDBC22057","677295","Present",NA,NA
+"22058","4,4,6,6-Tetramethyl-2-(4-pyridinyl)tetrahydroimidazo[1,5-b]isoxazol-5(6H)-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,6,6-Tetramethyl-2-(4-pyridinyl)tetrahydroimidazo[1,5-b]isoxazol-5(6H)-ol",NA,"CC1(C2CC(ON2C(N1O)(C)C)C3=CC=NC=C3)C","MMXWVGSFZSUFAB-UHFFFAOYSA-N",379391,NA,"PDBC22058","663933","Present",NA,NA
+"22059","4,4,6,6-Tetramethylbicyclo[14.1.0]heptadecan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,6,6-Tetramethylbicyclo[14.1.0]heptadecan-5-one",NA,"CC1(CCCCCCCCCC2CC2CCC(C1=O)(C)C)C","QZCPFYFRNPXOMG-UHFFFAOYSA-N",385897,NA,"PDBC22059","677298","Present",NA,NA
+"22060","4,4,6,6-Tetramethylbicyclo[8.1.0]undecan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,6,6-Tetramethylbicyclo[8.1.0]undecan-5-one",NA,"CC1(CCCC2CC2CCC(C1=O)(C)C)C","IJLDONZBPOELHD-UHFFFAOYSA-N",385895,NA,"PDBC22060","677296","Present",NA,NA
+"22061","4,4,7,7,11,11-Hexamethyl-5,6,6c,12,13,14b-hexahydro-4H,7H,11H-chromeno[5',6':4,5]furo[3,2-c]pyrano[3,2-g]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7,13,13,19,19-Hexamethyl-8,12,20,25-tetraoxahexacyclo[12.11.0.02,11.04,9.015,24.016,21]pentacosa-2(11),3,9,15(24),16(21),22-hexaene",NA,"CC1(CCC2=CC3=C(C=C2O1)OC(C4C3OC5=C4C6=C(C=C5)OC(CC6)(C)C)(C)C)C","RBXIIYKLGLKWAW-UHFFFAOYSA-N",361269,NA,"PDBC22061","624211","Present",NA,NA
+"22062","4,4,8,8-Tetramethoxy-1,7-dioxido-[1,2,5]oxadiazolo[3,4-f][2,1,3]benzoxadiazole-1,7-diium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-c']bis[1,2,5]oxadiazole-1,7-diol",NA,"COC1(C2=NO[N+](=C2C(C3=[N+](ON=C31)[O-])(OC)OC)[O-])OC","ZOFXXAJBJNPLEV-UHFFFAOYSA-N",379425,NA,"PDBC22062","663967","Present",NA,NA
+"22063","4,4-Bis(3,5-dibromo-4-hydroxyphenyl)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A805455",NA,"CC(CCC(=O)O)(C1=CC(=C(C(=C1)Br)O)Br)C2=CC(=C(C(=C2)Br)O)Br","OFLOJYUEVWVCRY-UHFFFAOYSA-N",228569,NA,"PDBC22063","21588","Present",NA,NA
+"22064","4,4-Bis(3,5-dimethylpyrazolyl)-1,1-dichlorobut-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-bis(3,5-dimethylpyrazole)-1,1-dichloro-but-3-ene-2-one",NA,"CC1=CC(=NN1C(=CC(=O)C(Cl)Cl)N2C(=CC(=N2)C)C)C","NLZOIUKAARPRPV-UHFFFAOYSA-N",405832,NA,"PDBC22064","723518","Present",NA,NA
+"22065","4,4-Dianilino-1,1,3-trichloro-3-buten-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dianilino-1,1,3-trichloro-3-buten-2-one",NA,"C1=CC=C(C=C1)NC(=C(C(=O)C(Cl)Cl)Cl)NC2=CC=CC=C2","HVVAPRILWHZUKT-UHFFFAOYSA-N",384036,NA,"PDBC22065","673147","Present",NA,NA
+"22066","4,4-Dibromo-1-(3-bromo-4-methylpentyl)cyclopentene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dibromo-1-(3-bromo-4-methylpentyl)cyclopentene",NA,"CC(C)C(CCC1=CCC(C1)(Br)Br)Br","GYJJSILBKLZXCB-UHFFFAOYSA-N",382925,NA,"PDBC22066","670802","Present",NA,NA
+"22067","4,4-Dibromo-6-methyltricyclo[4.4.0.02,7]decan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tricyclo[4.4.0.0(2,7)]decane-5-one, 4,4-dibromo-2-methyl-",NA,"CC12CC(C(=O)C3C1CCCC23)(Br)Br","BCMYWQPYOXUYLB-UHFFFAOYSA-N",361332,NA,"PDBC22067","624358","Present",NA,NA
+"22068","4,4-Dibutyl-3,5-dioxa-11-aza-4-stannabicyclo[5.3.1]undeca-1(10),7-diene-2,6,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dibutyl-3,5-dioxa-11-aza-4-stannabicyclo[5.3.1]undeca-1(10),7-diene-2,6,9-trione",NA,NA,NA,NA,NA,"PDBC22068","628580","Present",NA,NA
+"22069","4,4-Dichloro-2,3-bis(trimethylsilyl)cyclobut-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dichloro-2,3-bis(trimethylsilyl)-2-cyclobuten-1-one",NA,"C[Si](C)(C)C1=C(C(C1=O)(Cl)Cl)[Si](C)(C)C","XZWMITGVWSSHQN-UHFFFAOYSA-N",386475,NA,"PDBC22069","678501","Present",NA,NA
+"22070","4,4-Dichloro-2,3-diphenylcyclobut-2-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclobuten-1-one, 4,4-dichloro-2,3-diphenyl-",NA,"C1=CC=C(C=C1)C2=C(C(C2=O)(Cl)Cl)C3=CC=CC=C3","PZVIDSXGKLDCJM-UHFFFAOYSA-N",386476,NA,"PDBC22070","678502","Present",NA,NA
+"22071","4,4-Dichloro-3-pentyl-2-cyclobuten-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclobuten-3-one, 4,4-dichloro-1-pentyl-",NA,"CCCCCC1=CC(=O)C1(Cl)Cl","ZBKIZLWSUASELA-UHFFFAOYSA-N",386477,NA,"PDBC22071","678503","Present",NA,NA
+"22072","4,4-Diethyl-1,2-bis(3,4,5-trimethoxybenzoyl)pyrazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Diethyl-1,2-bis(3,4,5-trimethoxybenzoyl)pyrazolidine-3,5-dione",NA,"CCC1(C(=O)N(N(C1=O)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)CC","CZOBBLJJGIZKRW-UHFFFAOYSA-N",388184,NA,"PDBC22072","682749","Present",NA,NA
+"22073","4,4-Diethyl-1,2-bis(4-methylbenzoyl)pyrazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Diethyl-1,2-bis(4-methylbenzoyl)pyrazolidine-3,5-dione",NA,"CCC1(C(=O)N(N(C1=O)C(=O)C2=CC=C(C=C2)C)C(=O)C3=CC=C(C=C3)C)CC","OOYYZTRKMMSLOT-UHFFFAOYSA-N",388183,NA,"PDBC22073","682748","Present",NA,NA
+"22074","4,4-Diethyl-1,2-dipropionyl-3,5-pyrazolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Diethyl-1,2-dipropionyl-3,5-pyrazolidinedione",NA,"CCC(=O)N1C(=O)C(C(=O)N1C(=O)CC)(CC)CC","BTKHZIHXSAKXCF-UHFFFAOYSA-N",388182,NA,"PDBC22074","682747","Present",NA,NA
+"22075","4,4-Diethyl-1-propionyl-3,5-pyrazolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Diethyl-1-propionyl-3,5-pyrazolidinedione",NA,"CCC(=O)N1C(=O)C(C(=O)N1)(CC)CC","DBYAJUBDHPIZFB-UHFFFAOYSA-N",388179,NA,"PDBC22075","682744","Present",NA,NA
+"22076","4,4-Diiodo-3-phenyl-3-buten-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-diiodo-3-phenyl-3-buten-2-one",NA,"CC(=O)C(=C(I)I)C1=CC=CC=C1","YAUITSQVLXYQDV-UHFFFAOYSA-N",380945,NA,"PDBC22076","666731","Present",NA,NA
+"22077","4,4-Dimethoxy-1-(2-vinylphenyl)-2,5-cyclohexadien-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dimethoxy-1-(2-vinylphenyl)-2,5-cyclohexadien-1-ol",NA,"COC1(C=CC(C=C1)(C2=CC=CC=C2C=C)O)OC","NLINCCBFKNTJKQ-UHFFFAOYSA-N",379541,NA,"PDBC22077","664217","Present",NA,NA
+"22078","4,4-Dimethoxy-2,5-cyclohexadien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-Dimethoxy-2,5-dienone",NA,"COC1(C=CC(=O)C=C1)OC","AVZOEZMUNZGWLN-UHFFFAOYSA-N",394648,NA,"PDBC22078","698250","Present",NA,NA
+"22079","4,4-Dimethoxy-N,N,3-trimethylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dimethoxy-N,N,3-trimethylbutanamide",NA,"CC(CC(=O)N(C)C)C(OC)OC","NWWIWLQBFGQPLT-UHFFFAOYSA-N",359183,NA,"PDBC22079","619865","Present",NA,NA
+"22080","4,4-Dimethyl-1,2-di(4-morpholinyl)-1-phenyl-3-pentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dimethyl-1,2-di(4-morpholinyl)-1-phenyl-3-pentanone",NA,"CC(C)(C)C(=O)C(C(C1=CC=CC=C1)N2CCOCC2)N3CCOCC3","QZUIQRACPQHJJM-UHFFFAOYSA-N",234166,NA,"PDBC22080","33571","Present",NA,NA
+"22081","4,4-Dimethyl-2-(phenylthio)tetrahydro-2H-pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dimethyl-2-(phenylthio)tetrahydro-2H-pyran",NA,"CC1(CCOC(C1)SC2=CC=CC=C2)C","LGFSMYAQZDDIGK-UHFFFAOYSA-N",361777,NA,"PDBC22081","625044","Present",NA,NA
+"22082","4,4-Dimethyl-3-phenyl-1(4H)-cinnolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dimethyl-3-phenyl-1(4H)-cinnolinol",NA,"CC1(C2=CC=CC=C2N(N=C1C3=CC=CC=C3)O)C","FUJZNKNLKXBQJF-UHFFFAOYSA-N",371281,NA,"PDBC22082","645345","Present",NA,NA
+"22083","4,4-Dimethylspiro[1,3,2-oxazaphospholidin-2-ium-2,2'-3H-1,3,2-benzoxazaphosphol-2-ium]-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dimethylspiro[1,3,2-oxazaphospholidin-2-ium-2,2'-3H-1,3,2-benzoxazaphosphol-2-ium]-5-one",NA,"CC1(C(=O)O[P+]2(N1)NC3=CC=CC=C3O2)C","KOYNCWVEDXKLAG-UHFFFAOYSA-N",6330525,NA,"PDBC22083","351866","Present",NA,NA
+"22084","4,4-Dinitro-4,5,6,7-tetrahydrobenzofurazan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C6H6N4O5",NA,"C1CC2=NON=C2C(C1)([N+](=O)[O-])[N+](=O)[O-]","CMWAVDQYGJPEML-UHFFFAOYSA-N",379408,NA,"PDBC22084","663950","Present",NA,NA
+"22085","4,4-Diphenylcyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Diphenylcyclohexanone",NA,"C1CC(CCC1=O)(C2=CC=CC=C2)C3=CC=CC=C3","QJPHZZUBQAASNR-UHFFFAOYSA-N",138281,NA,"PDBC22085","117554","Present",NA,NA
+"22086","4,4-Piperazinediyl)bisbenzenecarboximidamide, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-(1,4-piperazinediyl)bisbenzenecarboximidamide, dihy...",NA,"C1CN(CCN1C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl","PGIPCFMMASQELS-UHFFFAOYSA-N",24202755,NA,"PDBC22086","725901","Present",NA,NA
+"22087","4,5'-Dimethylangelicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/LV1051005",NA,"CC1=CC(=O)OC2=C1C=CC3=C2C=C(O3)C","PFFGIQUVLUEURV-UHFFFAOYSA-N",61322,NA,"PDBC22087","627260","Present",NA,NA
+"22088","4,5,11,13-Tetramethyl-7-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-8lambda6-thia-3,4,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene 8,8-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,11,13-Tetramethyl-7-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-8lambda6-thia-3,4,7,10-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,5,10,12-pentaene 8,8-dioxide",NA,"CC1=CC(=NC2=C1C3=NN(C(=C3N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)C)C)C","RAGFHWVKKAJBLT-UHFFFAOYSA-N",401101,NA,"PDBC22088","713924","Present",NA,NA
+"22089","4,5,12,13-Tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,12,13-Tetramethoxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14,16-heptaene",NA,"COC1=C(C=C2C3C=NC(CC2=C1)C4=CC(=C(C=C34)OC)OC)OC","KLXPNUUNKBVTII-UHFFFAOYSA-N",392698,NA,"PDBC22089","693416","Present",NA,NA
+"22090","4,5,12,13-Tetramethoxy-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,12,13-Tetramethoxy-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene",NA,"COC1=C(C=C2C3CC4=CC(=C(C=C4C(O3)CC2=C1)OC)OC)OC","BSTRZFRADQWXKM-UHFFFAOYSA-N",392694,NA,"PDBC22090","693412","Present",NA,NA
+"22091","4,5,12,13-Tetramethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene;4,5,13,14-tetramethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,12,13-Tetramethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene;4,5,13,14-tetramethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene",NA,"CC1=C(C2=C(C=C1)N3CC4=C(C=C(C(=C4)C)C)N(C2)C3)C.CC1=CC2=C(C=C1C)N3CC4=C(C=C(C(=C4)C)C)N(C2)C3","IBBKJGMGJRNHSX-UHFFFAOYSA-N",361435,NA,"PDBC22091","624459","Present",NA,NA
+"22092","4,5,14-Trimethoxy-9-methyl-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,14-Trimethoxy-9-methyl-9-azoniatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol;iodide",NA,"C[N+]12CCC3=CC(C(C(C31)C4=CC(=C(C=C4C2)OC)OC)O)OC.[I-]","CFYMWLHKUGRYRU-UHFFFAOYSA-M",397685,NA,"PDBC22092","706046","Present",NA,NA
+"22093","4,5,15,16-Tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,15,16-Tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaene;hydrochloride",NA,"COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3.Cl","QBWDCHPPUMLOCG-UHFFFAOYSA-N",374457,NA,"PDBC22093","652168","Present",NA,NA
+"22094","4,5,5',6'-Tetrabenzoylspiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-3'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,5',6'-Tetrabenzoylspiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-3'-one",NA,"C1=CC=C(C=C1)C(=O)C2=C(SC3=C(C24SC(=C(S4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)SSC3=O)C(=O)C7=CC=CC=C7","XAFGTYMJYPOWCY-UHFFFAOYSA-N",399528,NA,"PDBC22094","710392","Present",NA,NA
+"22095","4,5,5-Trichloro-5H-1,2,3-dithiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,5-Trichloro-5H-1,2,3-dithiazole",NA,"C1(=NSSC1(Cl)Cl)Cl","ZDDROOBZDZTOJV-UHFFFAOYSA-N",389862,NA,"PDBC22095","686492","Present",NA,NA
+"22096","4,5,6,7-Tetrachloro-1,3-dihydrobenzimidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6,7-Tetrachloro-1,3-dihydrobenzimidazole-2-thione",NA,"C12=C(C(=C(C(=C1Cl)Cl)Cl)Cl)NC(=S)N2","DUYKSYCMKGVVTR-UHFFFAOYSA-N",5041204,NA,"PDBC22096","142480","Present",NA,NA
+"22097","4,5,6,7-Tetrachloro-1-tetrahydrofuran-2-yl-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6,7-Tetrachloro-1-tetrahydrofuran-2-yl-benzotriazole",NA,"C1CC(OC1)N2C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)N=N2","SJJIYQLKZGNSEF-UHFFFAOYSA-N",388089,NA,"PDBC22097","682552","Present",NA,NA
+"22098","4,5,6,7-Tetrachloro-2-tetrahydrofuran-2-yl-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6,7-Tetrachloro-2-tetrahydrofuran-2-yl-benzotriazole",NA,"C1CC(OC1)N2N=C3C(=C(C(=C(C3=N2)Cl)Cl)Cl)Cl","CLWJOTIWNHKRSQ-UHFFFAOYSA-N",388090,NA,"PDBC22098","682553","Present",NA,NA
+"22099","4,5,6,7-Tetrachloro-3,3-bis(6-hydroxy[1,1'-biphenyl]-3-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6,7-tetrachloro-3,3-bis(6-hydroxybiphenyl-3-yl)isobe...",NA,"C1=CC=C(C=C1)C2=C(C=CC(=C2)C3(C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C(=O)O3)C5=CC(=C(C=C5)O)C6=CC=CC=C6)O","MFSVBYYFRYCISY-UHFFFAOYSA-N",276306,NA,"PDBC22099","123994","Present",NA,NA
+"22100","4,5,6,7-Tetrahydro-1,8,13-triaza-9H-benzo[fg]naphthacene-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 4,5,6,7-tet...",NA,"C1CCC2=NC3=C4C(=C2C1)C=CN=C4C5=C(C3=O)C=CC=N5","RZMXHENUFUPOLC-UHFFFAOYSA-N",396466,NA,"PDBC22100","702616","Present",NA,NA
+"22101","4,5,6-Trichloro-2-ethyl-pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-Trichloro-2-ethylpyrimidine",NA,"CCC1=NC(=C(C(=N1)Cl)Cl)Cl","CNDMVKVJWXVNBW-UHFFFAOYSA-N",249454,NA,"PDBC22101","67798","Present",NA,NA
+"22102","4,5,6-Trichloro-2-methylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methyl-4,5,6-trichloropyrimidine",NA,"CC1=NC(=C(C(=N1)Cl)Cl)Cl","MLXZCYRURHJFLL-UHFFFAOYSA-N",231054,NA,"PDBC22102","26540","Present",NA,NA
+"22103","4,5,6-Trichloro-2-phenylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-Trichloro-2-phenylpyrimidine",NA,"C1=CC=C(C=C1)C2=NC(=C(C(=N2)Cl)Cl)Cl","UZVRXBTXEACDQE-UHFFFAOYSA-N",249015,NA,"PDBC22103","66917","Present",NA,NA
+"22104","4,5,6-Trichloro-2-propan-2-ylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-Trichloro-2-propan-2-ylpyrimidine",NA,"CC(C)C1=NC(=C(C(=N1)Cl)Cl)Cl","ATGYGVVUZSGNKF-UHFFFAOYSA-N",249014,NA,"PDBC22104","66916","Present",NA,NA
+"22105","4,5,6-Trichloro-2-propyl-pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-Trichloro-2-propylpyrimidine",NA,"CCCC1=NC(=C(C(=N1)Cl)Cl)Cl","JMVHNAXQPUGXQX-UHFFFAOYSA-N",249008,NA,"PDBC22105","66903","Present",NA,NA
+"22106","4,5,6-Trichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-25511",NA,"C1=NC(=C(C(=N1)Cl)Cl)Cl","AUWPHGWEYHEAIG-UHFFFAOYSA-N",249007,NA,"PDBC22106","66902","Present",NA,NA
+"22107","4,5,6-Trifluoro-benzothiazol-2-yl-carbamic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-Trifluoro-benzothiazol-2-yl-carbamic acid ethyl ester",NA,"CCOC(=O)NC1=NC2=C(S1)C=C(C(=C2F)F)F","IKCJTHODSYOQDO-UHFFFAOYSA-N",2349596,NA,"PDBC22107","764930","Present",NA,NA
+"22108","4,5,7-Trihydroxycoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YQB3NZR7WI",NA,"C1=C(C=C2C(=C1O)C(=CC(=O)O2)O)O","HPNWGYCBCHLEMW-UHFFFAOYSA-N",54676761,NA,"PDBC22108","115528","Present",NA,NA
+"22109","4,5,8-Triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaene-3,16-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,8-Triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaene-3,16-dione",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(N3)C=NNC4=O","SCKXJTIJYWMMEQ-UHFFFAOYSA-N",135426812,NA,"PDBC22109","719504","Present",NA,NA
+"22110","4,5,8-Tris(tert-butylthio)pyridazino[4,5-d]pyridazin-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,8-Tris(tert-butylthio)pyridazino[4,5-d]pyridazin-1-ol",NA,"CC(C)(C)SC1=NN=C(C2=C1C(=O)NN=C2SC(C)(C)C)SC(C)(C)C","DVZVUHCEXHTZEB-UHFFFAOYSA-N",361890,NA,"PDBC22110","625235","Present",NA,NA
+"22111","4,5-Bis((4-methylphenyl)imino)-1,3-dithiolan-2-one dimethylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[4,5-Bis[(4-methylphenyl)imino]-1,3-dithiolan-2-ylidene]amino]-N-methylmethanamine",NA,"CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)SC(=NN(C)C)S2","XXBWNVLVZRXTRA-UHFFFAOYSA-N",383301,NA,"PDBC22111","671414","Present",NA,NA
+"22112","4,5-Bis(1,3-benzodioxol-5-yl)-3-nitro-2-furaldehyde phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4,5-Bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methyleneamino]aniline",NA,"C1OC2=C(O1)C=C(C=C2)C3=C(OC(=C3[N+](=O)[O-])C=NNC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6","KGUAPQNIHXQLAW-RPPGKUMJSA-N",9555889,NA,"PDBC22112","647257","Present",NA,NA
+"22113","4,5-Bis(1-ethylbutyl)-1,2-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Bis(1-ethylbutyl)-1,2-benzenediol",NA,"CCCC(CC)C1=CC(=C(C=C1C(CC)CCC)O)O","XKXVDDMUFQIEFJ-UHFFFAOYSA-N",379497,NA,"PDBC22113","664158","Present",NA,NA
+"22114","4,5-Bis(2-methoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Bis(2-methoxyphenyl)-1H-imidazole",NA,"COC1=CC=CC=C1C2=C(N=CN2)C3=CC=CC=C3OC","XOMXFUNHBRZWQE-UHFFFAOYSA-N",395746,NA,"PDBC22114","700546","Present",NA,NA
+"22115","4,5-Bis(3,4-dimethoxyphenyl)isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Bis(3,4-dimethoxyphenyl)isoxazole",NA,"COC1=C(C=C(C=C1)C2=C(ON=C2)C3=CC(=C(C=C3)OC)OC)OC","MXIZUVYLEZMWCG-UHFFFAOYSA-N",373704,NA,"PDBC22115","650596","Present",NA,NA
+"22116","4,5-Bis(4-methoxyphenyl)-1,5-dihydroimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-bis(4-Methoxyphenyl)-1H-imidazol-2(5H)-one",NA,"COC1=CC=C(C=C1)C2C(=NC(=O)N2)C3=CC=C(C=C3)OC","FYTWLGPRDSDFFN-UHFFFAOYSA-N",231112,NA,"PDBC22116","26692","Present",NA,NA
+"22117","4,5-Bis(4-methoxyphenyl)-3,5-dioxo-N-(3-(trifluoromethyl)phenyl)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Bis(4-methoxyphenyl)-3,5-dioxo-N-(3-(trifluoromethyl)phenyl)pentanamide",NA,"COC1=CC=C(C=C1)C(C(=O)CC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)OC","JTJRVIINDKVHTA-UHFFFAOYSA-N",361451,NA,"PDBC22117","624473","Present",NA,NA
+"22118","4,5-Bis(acetyloxy)-2-((acetyloxy)methyl)-9-anthryl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Bis(acetyloxy)-2-((acetyloxy)methyl)-9-anthryl acetate",NA,"CC(=O)OCC1=CC2=C(C=C3C(=C2OC(=O)C)C=CC=C3OC(=O)C)C(=C1)OC(=O)C","LPFAXMMDGZKAHD-UHFFFAOYSA-N",377289,NA,"PDBC22118","658577","Present",NA,NA
+"22119","4,5-Bis(benzenesulfonyl)spiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclohexane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-bis(benzenesulfonyl)spiro[7-oxa-1-azabicyclo[2.2.1]heptane-2,1'-cyclohexane]",NA,"C1CCC2(CC1)CC3(C(CN2O3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","GZFLNJKEOVNPRY-UHFFFAOYSA-N",361147,NA,"PDBC22119","623979","Present",NA,NA
+"22120","4,5-Bis(benzoylthio)-1,3-dithiole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PZ27129MNI",NA,"C1=CC=C(C=C1)C(=O)SC2=C(SC(=S)S2)SC(=O)C3=CC=CC=C3","YQZPSSPUVUGQQS-UHFFFAOYSA-N",364673,NA,"PDBC22120","631302","Present",NA,NA
+"22121","4,5-Bis(bromomethyl)-2-methylpyridin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JHKDTHSEZFJAMJ-UHFFFAOYSA-N",NA,"CC1=NC=C(C(=C1O)CBr)CBr","JHKDTHSEZFJAMJ-UHFFFAOYSA-N",241453,NA,"PDBC22121","48844","Present",NA,NA
+"22122","4,5-Bis(chloromethyl)-1,3-diphenyl-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Bis(chloromethyl)-1,3-diphenyl-1H-pyrazole",NA,"C1=CC=C(C=C1)C2=NN(C(=C2CCl)CCl)C3=CC=CC=C3","QKAAHRLZQRYVCE-UHFFFAOYSA-N",383140,NA,"PDBC22122","671181","Present",NA,NA
+"22123","4,5-Bis(chloromethyl)-2-methylpyridin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5'-Dichloropyridoxine",NA,"CC1=NC=C(C(=C1O)CCl)CCl","PGRGBTRGXLKHEC-UHFFFAOYSA-N",241454,NA,"PDBC22123","48845","Present",NA,NA
+"22124","4,5-Bis(iodomethyl)-2-methylpyridin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',5'-Diiodopyridoxine",NA,"CC1=NC=C(C(=C1O)CI)CI","NTSNBWDNFCMPNE-UHFFFAOYSA-N",241455,NA,"PDBC22124","48846","Present",NA,NA
+"22125","4,5-Bis(methylthio)-1,3-dithiole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_003412",NA,"CSC1=C(SC(=S)S1)SC","HOFVXSUZSDYZSA-UHFFFAOYSA-N",362959,NA,"PDBC22125","627450","Present",NA,NA
+"22126","4,5-Bis(phenylimino)-1,3-dithiolan-2-one (4-(dimethylamino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Bis(phenylimino)-1,3-dithiolan-2-one (4-(dimethylamino)phenyl)hydrazone",NA,"CN(C)C1=CC=C(C=C1)NN=C2SC(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2","FJWOBPMTNRHOOZ-UHFFFAOYSA-N",383302,NA,"PDBC22126","671415","Present",NA,NA
+"22127","4,5-Bis(phenylimino)-1,3-dithiolan-2-one phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741243",NA,"C1=CC=C(C=C1)NN=C2SC(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2","UCCZGUNZUWTDPB-UHFFFAOYSA-N",383300,NA,"PDBC22127","671413","Present",NA,NA
+"22128","4,5-Bis(phenylsulfanyl)-2,3,4,5-tetrahydro-1-benzothiepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Bis(phenylsulfanyl)-2,3,4,5-tetrahydro-1-benzothiepine",NA,"C1CSC2=CC=CC=C2C(C1SC3=CC=CC=C3)SC4=CC=CC=C4","SCFOBPDCHDKGSU-UHFFFAOYSA-N",360777,NA,"PDBC22128","623132","Present",NA,NA
+"22129","4,5-Dibenzylbenzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C20H18O2",NA,"C1=CC=C(C=C1)CC2=CC(=C(C=C2CC3=CC=CC=C3)O)O","SQDMOCPHIXUCCE-UHFFFAOYSA-N",379493,NA,"PDBC22129","664154","Present",NA,NA
+"22130","4,5-Dibromo-3,5-di-tert-butyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dibromo-3,5-di-tert-butyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide",NA,"CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)Br)Br","CTMAJOBYSIEDPR-UHFFFAOYSA-N",380877,NA,"PDBC22130","666661","Present",NA,NA
+"22131","4,5-Dibromopyridazin-3(2h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KSC496I7L",NA,"C1=NNC(=O)C(=C1Br)Br","AGLQURQNVJVJNB-UHFFFAOYSA-N",236181,NA,"PDBC22131","38292","Present",NA,NA
+"22132","4,5-Dichloro-1,3-bis(naphthalen-2-ylmethyl)imidazol-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-dichloro-1,3-bis(naphthalen-2-ylmethyl)imidazolium b...",NA,"C1=CC=C2C=C(C=CC2=C1)CN3C=[N+](C(=C3Cl)Cl)CC4=CC5=CC=CC=C5C=C4","NFOVASOBSLDJCL-UHFFFAOYSA-N",71467516,NA,"PDBC22132","788908","Present",NA,NA
+"22133","4,5-Dichloro-2-(2-(4-pyridinyl)ethyl)-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dichloro-2-(2-(4-pyridinyl)ethyl)-3(2H)-pyridazinone",NA,"C1=CN=CC=C1CCN2C(=O)C(=C(C=N2)Cl)Cl","LHUXZNNICKIKHQ-UHFFFAOYSA-N",365840,NA,"PDBC22133","633915","Present",NA,NA
+"22134","4,5-Dichloro-2-(2-chloroethyl)pyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dichloro-2-(2-chloroethyl)pyridazin-3-one",NA,"C1=NN(C(=O)C(=C1Cl)Cl)CCCl","NMYDFCMVJIHOLA-UHFFFAOYSA-N",247944,NA,"PDBC22134","63599","Present",NA,NA
+"22135","4,5-Dichloro-2-(3-oxobutyl)-1H-pyridazine-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dichloro-2-(3-oxobutyl)-1H-pyridazine-3,6-dione",NA,"CC(=O)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl","VQTDRUGUWKNZQA-UHFFFAOYSA-N",365850,NA,"PDBC22135","633924","Present",NA,NA
+"22136","4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dichloro-2-(3-oxobutyl)-3(2H)-pyridazinone",NA,"CC(=O)CCN1C(=O)C(=C(C=N1)Cl)Cl","LLXUEGJIPKJKFS-UHFFFAOYSA-N",365844,NA,"PDBC22136","633918","Present",NA,NA
+"22137","4,5-Dichloro-2-phenylpyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T6NNVJ BR& DG EG///3(2H)-Pyridazinone, 4,5-dichloro-2-phenyl-",NA,"C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)Cl)Cl","VKWCOHVAHQOJGU-UHFFFAOYSA-N",72813,NA,"PDBC22137","224369///642642","Present",NA,NA
+"22138","4,5-Dichloro-3-hydroxy-6-((6-methoxy-3-methyl-1-benzofuran-2-yl)oxy)phthalonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-((6-methoxy-3-methylbenzfuranyl)oxy)-4,5-dichloro-3-h...",NA,"CC1=C(OC2=C1C=CC(=C2)OC)OC3=C(C(=C(C(=C3C#N)C#N)O)Cl)Cl","TVYGRUMPAWCBJI-UHFFFAOYSA-N",382577,NA,"PDBC22138","670188","Present",NA,NA
+"22139","4,5-Dichloro-3H-1,2-dithiol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-dithiol-3-one, dichloro-",NA,"C1(=C(SSC1=O)Cl)Cl","QGSRKGWCQSATCL-UHFFFAOYSA-N",14503,NA,"PDBC22139","135976","Present",NA,NA
+"22140","4,5-Dichloro-6-oxo-1(6H)-pyridazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11K-911",NA,"C1=NN(C(=O)C(=C1Cl)Cl)C(=O)N","KFEZNIZILYRSIM-UHFFFAOYSA-N",362211,NA,"PDBC22140","625813","Present",NA,NA
+"22141","4,5-Dichloroisothiazol-3-yl piperidyl ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dichloroisothiazol-3-yl piperidyl ketone",NA,"C1CCN(CC1)C(=O)C2=NSC(=C2Cl)Cl","JPSIKJSWDVFGAW-UHFFFAOYSA-N",379922,NA,"PDBC22141","665114","Present",NA,NA
+"22142","4,5-Dihydro-1H-1-benzazepine-2,6,9(3H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dihydro-1H-1-benzazepine-2,6,9(3H)-trione",NA,"C1CC2=C(C(=O)C=CC2=O)NC(=O)C1","IKDCGLCVEMQVFY-UHFFFAOYSA-N",372580,NA,"PDBC22142","647940","Present",NA,NA
+"22143","4,5-Dihydro-1H-[1]benzothiepino[5,4-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dihydro-1H-[1]benzothiepino[5,4-c]pyrazole",NA,"C1CSC2=CC=CC=C2C3=C1C=NN3","PLQBHICEZPBNDD-UHFFFAOYSA-N",360367,NA,"PDBC22143","622428","Present",NA,NA
+"22144","4,5-Dihydro-1H-[1]benzoxepino[5,4-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dihydro-1H-[1]benzoxepino[5,4-c]pyrazole",NA,"C1COC2=CC=CC=C2C3=C1C=NN3","QECJKEMWJRWQBL-UHFFFAOYSA-N",360365,NA,"PDBC22144","622426","Present",NA,NA
+"22145","4,5-Dihydro-1H-benzo(g)indazole-7,8-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-DIHYDRO-1H-BENZ[G]INDAZOLE-7,8-DIOL",NA,"C1CC2=C(C3=CC(=C(C=C31)O)O)NN=C2","KIEMHVFGGXELEV-UHFFFAOYSA-N",317787,NA,"PDBC22145","251209","Present",NA,NA
+"22146","4,5-Dihydro-1H-imidazol-2-yl(10H-indeno[2,3-b]quinoxalin-11-yl)diazene;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dihydro-1H-imidazol-2-yl(10H-indeno[2,3-b]quinoxalin-11-yl)diazene;hydrobromide",NA,"C1CN=C(N1)N=NC2=C3C(=NC4=CC=CC=C4N3)C5=CC=CC=C52.Br","HGFCZLBCIVCOIH-UHFFFAOYSA-N",438695,NA,"PDBC22146","658835","Present",NA,NA
+"22147","4,5-Dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,"C1CC2=C3C(=C(OC3=CC=C2)C(=O)O)C1","VRXQTOMNOCWCLP-UHFFFAOYSA-N",361661,NA,"PDBC22147","624879","Present",NA,NA
+"22148","4,5-Dihydro-3H-naphtho[1,8-bc]furan-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dihydro-3H-naphtho[1,8-bc]furan-6-ol",NA,"C1CC2=COC3=C2C(=C(C=C3)O)C1","VBZSOGWQKAZHKH-UHFFFAOYSA-N",361594,NA,"PDBC22148","624775","Present",NA,NA
+"22149","4,5-Dimethoxy-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethoxy-14-thia-8,11,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8,12,15-heptaene",NA,"COC1=C(C=C2C(=C1)C3=C(C=N2)N4C=CSC4=N3)OC","XSLXTAYOTABXIR-UHFFFAOYSA-N",406818,NA,"PDBC22149","725109","Present",NA,NA
+"22150","4,5-Dimethoxy-2-(2-phenoxyacetylamino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-dimethoxy-2-(2-phenoxyacetamido)benzamide",NA,"COC1=C(C=C(C(=C1)C(=O)N)NC(=O)COC2=CC=CC=C2)OC","BOZYCRUQBOUCEO-UHFFFAOYSA-N",122188011,NA,"PDBC22150","773280","Present",NA,NA
+"22151","4,5-Dimethoxy-6-(methoxymethyl)-2-phenylsulfanyloxan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705152///NSC705153",NA,"COCC1C(C(C(C(O1)SC2=CC=CC=C2)O)OC)OC","NCPMWJTYPRHYFB-UHFFFAOYSA-N",397410,NA,"PDBC22151","705152///705153","Present",NA,NA
+"22152","4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one",NA,"COC1=C(C2=C(CC2=O)C=C1)OC","CHFTXHFESMZGGM-UHFFFAOYSA-N",375500,NA,"PDBC22152","655282","Present",NA,NA
+"22153","4,5-Dimethyl-1,3-dithiolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethyl-1,3-dithiolan-2-one",NA,"CC1C(SC(=O)S1)C","CQUCRFYNCROOIS-UHFFFAOYSA-N",375372,NA,"PDBC22153","655039","Present",NA,NA
+"22154","4,5-Dimethyl-1,8,12-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-dimethyl-7-azaisoindole[2,1-a]quinoxalin-6(5H)-one",NA,"CC1=CC2=C(C=C1C)N3C=C4C=CC=NC4=C3C(=O)N2","WDHNDTGQONXEOU-UHFFFAOYSA-N",155813018,NA,"PDBC22154","754583","Present",NA,NA
+"22155","4,5-Dimethyl-11H-pyrido[4,3-a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethyl-11H-pyrido[4,3-a]carbazole",NA,"CC1=CC2=C3C=CC=CC3=NC2=C4C1=C(NC=C4)C","NWFUMZFUBXELKR-UHFFFAOYSA-N",382590,NA,"PDBC22155","670230","Present",NA,NA
+"22156","4,5-Dimethyl-2-(2-nitroanilino)thiophene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethyl-2-(2-nitroanilino)thiophene-3-carbonitrile",NA,"CC1=C(SC(=C1C#N)NC2=CC=CC=C2[N+](=O)[O-])C","LONXKUMLSKYUAV-UHFFFAOYSA-N",395462,NA,"PDBC22156","700025","Present",NA,NA
+"22157","4,5-Dimethyl-3-(phenylsulfonyl)-2-thienylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethyl-3-(phenylsulfonyl)-2-thienylamine",NA,"CC1=C(SC(=C1S(=O)(=O)C2=CC=CC=C2)N)C","IRLRZVMPGRKKAY-UHFFFAOYSA-N",393681,NA,"PDBC22157","696057","Present",NA,NA
+"22158","4,5-Dimethyl-4,5-dihydrocinnolino[5,4,3-cde]cinnoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethyl-4,5-dihydrocinnolino[5,4,3-cde]cinnoline",NA,"CN1C2=CC=CC3=C2C4=C(C=CC=C4N1C)N=N3","UDHRHFSYUHQIHH-UHFFFAOYSA-N",371481,NA,"PDBC22158","645757","Present",NA,NA
+"22159","4,5-Dimethyl-8,9,10,11-tetrahydro-7H-pyrido[4,3-a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethyl-7,8,9,10-tetrahydro-11H-pyrido[4,3-a]carbazole",NA,"CC1=CC2=C3CCCCC3=NC2=C4C1=C(NC=C4)C","LTSDATGTBPQMNS-UHFFFAOYSA-N",382591,NA,"PDBC22159","670231","Present",NA,NA
+"22160","4,5-Dinonyl-1,2-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dinonyl-1,2-benzenediol",NA,"CCCCCCCCCC1=CC(=C(C=C1CCCCCCCCC)O)O","FFJABUWUTYNPHD-UHFFFAOYSA-N",379495,NA,"PDBC22160","664156","Present",NA,NA
+"22161","4,5-Imidazolidinedione, 1-(4-methoxyphenyl)-3-(2-nitrophenyl)-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Imidazolidinedione, 1-(4-methoxyphenyl)-3-(2-nitrophenyl)-2-thioxo-",NA,"COC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=CC=C3[N+](=O)[O-]","IYZWVLOGAJJXIH-UHFFFAOYSA-N",383273,NA,"PDBC22161","671387","Present",NA,NA
+"22162","4,5-Imidazolidinedione, 1-(4-methoxyphenyl)-3-[4-[(Z)-phenylazo]phenyl]-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Imidazolidinedione, 1-(4-methoxyphenyl)-3-[4-[(Z)-phenylazo]phenyl]-2-thioxo-",NA,"COC1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=C(C=C3)N=NC4=CC=CC=C4","NCYCSJLAPNJSHF-UHFFFAOYSA-N",383272,NA,"PDBC22162","671386","Present",NA,NA
+"22163","4,5-Imidazolidinedione, 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Imidazolidinedione, 1-phenyl-2-thioxo-3-[3-(trifluoromethyl)phenyl]-",NA,"C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=CC(=C3)C(F)(F)F","VQZKXOUCFBHILV-UHFFFAOYSA-N",383274,NA,"PDBC22163","671388","Present",NA,NA
+"22164","4,5H)-Pyrimidinedione, 5-[3-[4-(diethylamino)phenyl]-2-propenylidene]-2,3-dihydro-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6(1H,5H)-Pyrimidinedione, 5-[3-[4-(diethylamino)phenyl...",NA,"CCN(CC)C1=CC=C(C=C1)C=CC=C2C(=O)NC(=S)NC2=O","PQAJYKROAHMHFM-AATRIKPKSA-N",6376062,NA,"PDBC22164","684567","Present",NA,NA
+"22165","4,5a-Dimethyl-1H,3H,5aH-2,5,6-trioxacyclopenta[c]pentalen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dimethyl-3,7,9-trioxatricyclo[6.3.0.01,5]undeca-5,10-dien-4-one",NA,"CC1=C2C(=O)OCC23C=COC3(O1)C","QQTXGOCQZKBVFH-UHFFFAOYSA-N",396538,NA,"PDBC22165","703008","Present",NA,NA
+"22166","4,6'-Dimethyl-2,2'-spirobiindan-1,1'-dion",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',6-Dimethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=CC2=C(CC3(C2=O)CC4=C(C=CC=C4C3=O)C)C=C1","KEMIKYAGTJQKPA-UHFFFAOYSA-N",385726,NA,"PDBC22166","677073","Present",NA,NA
+"22167","4,6,12-Tetradecatriene-8,10-diyne-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6,12-Tetradecatriene-8,10-diyne-1,3-diol",NA,"CC=CC#CC#CC=CC=CC(CCO)O","XNRITUCAPGELHK-MMOYHAHMSA-N",5467488,NA,"PDBC22167","653381","Present",NA,NA
+"22168","4,6,13-Tris(furan-2-yl)-10,11-dimethyl-8-oxo-3,5,7,12-tetrazatricyclo[7.4.0.02,7]trideca-2,10-diene-1,9-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6,13-Tris(furan-2-yl)-10,11-dimethyl-8-oxo-3,5,7,12-tetrazatricyclo[7.4.0.02,7]trideca-2,10-diene-1,9-dicarbonitrile",NA,"CC1=C(NC(C2(C1(C(=O)N3C2=NC(NC3C4=CC=CO4)C5=CC=CO5)C#N)C#N)C6=CC=CO6)C","QHDGWNNBEVEXGM-UHFFFAOYSA-N",394334,NA,"PDBC22168","697703","Present",NA,NA
+"22169","4,6,6-Trimethyl-4-[(E)-4-phenylsulfanylbut-1-enyl]norpinan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6,6-Trimethyl-4-[(E)-4-phenylsulfanylbut-1-enyl]norpinan-2-one",NA,"CC1(C2CC1C(CC2=O)(C)C=CCCSC3=CC=CC=C3)C","HADBQWULFRJYEL-YRNVUSSQSA-N",5469503,NA,"PDBC22169","689222","Present",NA,NA
+"22170","4,6,7-Tetrakis(p-tolyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarb oxanhydride 7-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6,7-Tetrakis(p-tolyl)bicyclo[2.2.1]hept-5-ene-2,3-di...",NA,"CC1=CC=C(C=C1)C2=C(C3(C4C(C2(S3=O)C5=CC=C(C=C5)C)C(=O)OC4=O)C6=CC=C(C=C6)C)C7=CC=C(C=C7)C","SCOPZTOOPMSUIU-UHFFFAOYSA-N",24205469,NA,"PDBC22170","735843","Present",NA,NA
+"22171","4,6,7-Tetraphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxanhy dride 7-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6,7-Tetraphenylbicyclo[2.2.1]hept-5-ene-2,3-dicarbox...",NA,"C1=CC=C(C=C1)C2=C(C3(C4C(C2(S3=O)C5=CC=CC=C5)C(=O)OC4=O)C6=CC=CC=C6)C7=CC=CC=C7","BRVDWVQDNIYSIQ-UHFFFAOYSA-N",24205360,NA,"PDBC22171","735311","Present",NA,NA
+"22172","4,6,7-Trichloro-1,2,3-benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6,7-Trichloro-1,2,3-benzodithiazol-1-ium;chloride",NA,"C1=C(C2=NS[S+]=C2C(=C1Cl)Cl)Cl.[Cl-]","GKEBSOJNJNZASR-UHFFFAOYSA-M",359752,NA,"PDBC22172","621196","Present",NA,NA
+"22173","4,6,7-Trichloro-3H-1,2,3-benzodithiazole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6,7-Trichloro-3H-1,2,3-benzodithiazole 2-oxide",NA,"C1=C(C2=C(C(=C1Cl)Cl)SS(=O)N2)Cl","JKKJZIMNUPVVMA-UHFFFAOYSA-N",367355,NA,"PDBC22173","636992","Present",NA,NA
+"22174","4,6,8-Trichloro-3-(2-chloroethyl)-2-methylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/14513015",NA,"CC1=C(C(=C2C=C(C=C(C2=N1)Cl)Cl)Cl)CCCl","IHDSKKWYYDVCLX-UHFFFAOYSA-N",384144,NA,"PDBC22174","673431","Present",NA,NA
+"22175","4,6-Bis(4-bromophenyl)-2H-1,3,5-thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Bis(4-bromophenyl)-2H-1,3,5-thiadiazine",NA,"C1N=C(N=C(S1)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br","DLQHMKCVDXGSBN-UHFFFAOYSA-N",400617,NA,"PDBC22175","712739","Present",NA,NA
+"22176","4,6-Bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Bis(acridin-9-ylamino)-5,7-dinitro-1,3-dihydrobenzimidazol-2-one",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C(=C(C5=C4NC(=O)N5)[N+](=O)[O-])NC6=C7C=CC=CC7=NC8=CC=CC=C86)[N+](=O)[O-]","QRWUUGVTURCNBF-UHFFFAOYSA-N",11979480,NA,"PDBC22176","710907","Present",NA,NA
+"22177","4,6-Bis(butylamino)-1,9-didodecylpyrido[2,3-b][1,8]naphthyridine-2,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Bis(butylamino)-1,9-didodecylpyrido[2,3-b][1,8]naphthyridine-2,8-dione",NA,"CCCCCCCCCCCCN1C(=O)C=C(C2=C1N=C3C(=C2)C(=CC(=O)N3CCCCCCCCCCCC)NCCCC)NCCCC","AXUOAWFFOZCXFT-UHFFFAOYSA-N",395744,NA,"PDBC22177","700544","Present",NA,NA
+"22178","4,6-Bis(dimethylamino)-2H-1,3,5-thiadiazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Bis(dimethylamino)-2H-1,3,5-thiadiazin-2-one",NA,"CN(C)C1=NC(=O)SC(=N1)N(C)C","MUKOZLPPGQVWSB-UHFFFAOYSA-N",360514,NA,"PDBC22178","622650","Present",NA,NA
+"22179","4,6-Bis(ethylthio)-1H-pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Diethylthiopyrazolo[3,4-d]pyrimidine",NA,"CCSC1=NC(=NC2=C1C=NN2)SCC","UGHIWOKEDLUUTN-UHFFFAOYSA-N",405572,NA,"PDBC22179","722940","Present",NA,NA
+"22180","4,6-Bis(methylsulfanyl)-1-(oxiran-2-ylmethyl)pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Bis(methylsulfanyl)-1-(oxiran-2-ylmethyl)pyrazolo[3,4-d]pyrimidine",NA,"CSC1=NC(=NC2=C1C=NN2CC3CO3)SC","ZPILZPGMOBJKFM-UHFFFAOYSA-N",359457,NA,"PDBC22180","620322","Present",NA,NA
+"22181","4,6-Bis(methylsulfanyl)-2-propylpyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Bis(methylsulfanyl)-2-propyl-2H-pyrazolo[3,4-d]pyrimidine",NA,"CCCN1C=C2C(=N1)N=C(N=C2SC)SC","QINYESKQOFVGOP-UHFFFAOYSA-N",360624,NA,"PDBC22181","622929","Present",NA,NA
+"22182","4,6-Bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Bis[(E)-2-(3,4-dihydroxyphenyl)ethenyl]pyran-2-one",NA,"C1=CC(=C(C=C1C=CC2=CC(=O)OC(=C2)C=CC3=CC(=C(C=C3)O)O)O)O","IEXJNXCOWDQAPR-YRALUDOXSA-N",5470597,NA,"PDBC22182","703320","Present",NA,NA
+"22183","4,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1H-pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-bis[2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-2...",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NC(=O)N2)C=CC3=CC(=C(C=C3)O)OC)O","MIXUOZDHHUAAMB-FCXRPNKRSA-N",135857220,NA,"PDBC22183","763374","Present",NA,NA
+"22184","4,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyran-2-one",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=O)OC(=C2)C=CC3=CC(=C(C=C3)O)OC)O","HBQAGUJPXCUUFC-SALQQRKASA-N",5470596,NA,"PDBC22184","703319","Present",NA,NA
+"22185","4,6-Di(1-pyrrolidinyl)-2H-1,3,5-thiadiazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Di(1-pyrrolidinyl)-2H-1,3,5-thiadiazin-2-one",NA,"C1CCN(C1)C2=NC(=O)SC(=N2)N3CCCC3","LTPIBDLNSVCDQW-UHFFFAOYSA-N",360550,NA,"PDBC22185","622682","Present",NA,NA
+"22186","4,6-Di(2-furyl)-2-pyrimidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Di(2-furyl)-2-pyrimidinamine",NA,"C1=COC(=C1)C2=CC(=NC(=N2)N)C3=CC=CO3","JBAJMLMKIIDEJX-UHFFFAOYSA-N",376140,NA,"PDBC22186","656633","Present",NA,NA
+"22187","4,6-Di-tert-butyl-5-hydroxy-1-benzofuran-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Di-tert-butyl-5-hydroxy-1-benzofuran-2(3H)-one",NA,"CC(C)(C)C1=CC2=C(CC(=O)O2)C(=C1O)C(C)(C)C","SEBQEJDTBLAJLO-UHFFFAOYSA-N",382325,NA,"PDBC22187","669794","Present",NA,NA
+"22188","4,6-Diamino-12-[(4-chlorophenyl)methyl]-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Diamino-12-[(4-chlorophenyl)methyl]-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one",NA,"C1C2=C(C(=O)NC3=NC(=NC(=C31)N)N)N(C4=CC=CC=C24)CC5=CC=C(C=C5)Cl","IBMDVCKQLRMOIQ-UHFFFAOYSA-N",388274,NA,"PDBC22188","682915","Present",NA,NA
+"22189","4,6-Diamino-14,17-dimethoxy-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Diamino-14,17-dimethoxy-5,7,9,12-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-10-one",NA,"COC1=C2C3=C(C(=O)NC4=NC(=NC(=C4C3)N)N)NC2=C(C=C1)OC","VIEZDNDYFINKRT-UHFFFAOYSA-N",391093,NA,"PDBC22189","689628","Present",NA,NA
+"22190","4,6-Dibromo-1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dibromo-1-(2-diethylaminoethyl)-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-amine hydrochloride",NA,"CCN(CC)CCN1C2=CC(=C(C(=C2N=C1CC3=CC=C(C=C3)OCC)Br)N)Br.Cl","URYAWJGDZHVCQB-UHFFFAOYSA-N",398700,NA,"PDBC22190","708846","Present",NA,NA
+"22191","4,6-Dichloro-1-pentofuranosyl-1H-imidazo[4,5-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4,6-Dichloroimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol",NA,"C1=C2C(=C(N=C1Cl)Cl)N=CN2C3C(C(C(O3)CO)O)O","VPKNMXZYYVWGCK-UHFFFAOYSA-N",296449,NA,"PDBC22191","166607","Present",NA,NA
+"22192","4,6-Dichloro-2,1,3-benzoselenadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK523827",NA,"C1=C(C=C(C2=N[Se]N=C21)Cl)Cl","GLOCDVPHEOJWHD-UHFFFAOYSA-N",362894,NA,"PDBC22192","627368","Present",NA,NA
+"22193","4,6-Dichloro-2,5-dimethylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-dichloro-2,5-dimethylpyrimidine",NA,"CC1=C(N=C(N=C1Cl)C)Cl","BXVKGWQEEXPBAW-UHFFFAOYSA-N",237013,NA,"PDBC22193","40212","Present",NA,NA
+"22194","4,6-Dichloro-2-phenylquinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7931AB",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=N2)Cl","XALHJBONTKQNKI-UHFFFAOYSA-N",362507,NA,"PDBC22194","626529","Present",NA,NA
+"22195","4,6-Dichloro-3-(2-chloroethyl)-2-methylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/14513014",NA,"CC1=C(C(=C2C=C(C=CC2=N1)Cl)Cl)CCCl","UWRNWBVHBOCMTP-UHFFFAOYSA-N",384143,NA,"PDBC22195","673430","Present",NA,NA
+"22196","4,6-Dichloro-5-(dimethylaminomethylene)cyclohexa-3,6-diene-1,3-dicarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1(6),3-Cyclohexadiene-1,3-dicarboxyaldehyde, 4,6-dichlor...",NA,"CN(C)C=C1C(=C(CC(=C1Cl)C=O)C=O)Cl","BRIMGKZJPCSTCP-UHFFFAOYSA-N",362814,NA,"PDBC22196","627151","Present",NA,NA
+"22197","4,6-Dichloro-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dichloro-N-(2,3-dihydro-1H-inden-5-yl)-2-pyrimidinamine",NA,"C1CC2=C(C1)C=C(C=C2)NC3=NC(=CC(=N3)Cl)Cl","CSFRCBOPURASLQ-UHFFFAOYSA-N",389508,NA,"PDBC22197","685794","Present",NA,NA
+"22198","4,6-Dichloro[1,2,5]thiadiazolo[3,4-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dichloro[1,2,5]thiadiazolo[3,4-c]pyridine",NA,"C1=C(N=C(C2=NSN=C21)Cl)Cl","WAQHEBWTNUNSHC-UHFFFAOYSA-N",319592,NA,"PDBC22198","264045","Present",NA,NA
+"22199","4,6-Dichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dichloropyrimidine",NA,"C1=C(N=CN=C1Cl)Cl","XJPZKYIHCLDXST-UHFFFAOYSA-N",70943,NA,"PDBC22199","37530","Present",NA,NA
+"22200","4,6-Dideoxy-4-[[[(14-methyl-1-oxopentadecyl)amino]acetyl]amino]-N-1H-purin-6-YL-beta-L-glucopyranosylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-L-Glucopyranosylamine, 4,6-dideoxy-4-[[[(14-methy...",NA,"CC1C(C(C(C(O1)NC2=NC=NC3=C2NC=N3)O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C","VCEWFFSOGKSWLL-UHFFFAOYSA-N",4366047,NA,"PDBC22200","268251","Present",NA,NA
+"22201","4,6-Dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dihydropyrazolo[4,3-d][1]benzazepin-5(1H)-one",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NN=C2","QJOSUMCUWHXYNO-UHFFFAOYSA-N",387019,NA,"PDBC22201","680340","Present",NA,NA
+"22202","4,6-Diiodo-3a,7a-dihydro-2H-thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazole-2,7(3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,11-Diiodo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-diene-4,7-dione",NA,"C12C(C(=O)C3=C(SC(=C31)I)I)OC(=O)N2","UWDMOILRXVLKCY-UHFFFAOYSA-N",392081,NA,"PDBC22202","691895","Present",NA,NA
+"22203","4,6-Diisopropylidene-2,2-dimethyl-thieno[3,4-d]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Diisopropylidene-2,2-dimethyl-thieno[3,4-d]imidazole",NA,"CC(=C1C2=NC(N=C2C(=C(C)C)S1)(C)C)C","KXZSRWKODLQGKC-UHFFFAOYSA-N",397776,NA,"PDBC22203","706199","Present",NA,NA
+"22204","4,6-Dimethyl-1-oxido-[1,2,5]oxadiazolo[3,4-d]pyrimidin-1-ium-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-5,7-dioxo-4,5,6,7-tetrahydro[1,2,5]oxadiazolo[3,4-d]pyrimidine 1-oxide",NA,"CN1C2=NO[N+](=C2C(=O)N(C1=O)C)[O-]","NXKINPJXIQQAAF-UHFFFAOYSA-N",387470,NA,"PDBC22204","681274","Present",NA,NA
+"22205","4,6-Dimethyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-pyrimidine",NA,"CC1=CC(=NC(=N1)SC2=C(N=CN2C)[N+](=O)[O-])C","RDCXOZGOKGHQAI-UHFFFAOYSA-N",364614,NA,"PDBC22205","631144","Present",NA,NA
+"22206","4,6-Dimethyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]pyrimidine;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]pyrimidine;iodide",NA,"CC1=CC(=NC(=N1)SCCC2=CC=CC=[N+]2C)C.[I-]","YKAUKHRCXVEIGF-UHFFFAOYSA-M",5351719,NA,"PDBC22206","24685","Present",NA,NA
+"22207","4,6-Dimethyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=CC(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C","WCKWVCKPENJQDR-UHFFFAOYSA-N",385422,NA,"PDBC22207","676602","Present",NA,NA
+"22208","4,6-Dimethyl-5-[(2-methyl-3H-benzimidazol-5-yl)diazenyl]-5H-pyrimidin-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-5-[(2-methyl-3h-benzimidazol-5-yl)azo]-5h-pyrimidin-2-imine",NA,"CC1=NC(=N)N=C(C1N=NC2=CC3=C(C=C2)N=C(N3)C)C","GJCYCOUCOACHQW-UHFFFAOYSA-N",396643,NA,"PDBC22208","703142","Present",NA,NA
+"22209","4,6-Dimethyl-5-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolo[3,4-c]pyrrole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-5-phenyl-2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]pyrrolo[3,4-c]pyrrole-1,3-dione",NA,"CC1=C2C(=C(N1C3=CC=CC=C3)C)C(=O)N(C2=O)CCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F","FOCQFXLBUXZNBB-UHFFFAOYSA-N",401045,NA,"PDBC22209","713750","Present",NA,NA
+"22210","4,6-Dimethyl-7-methylaminocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t66 bovj e1 h1 im1",NA,"CC1=CC2=C(C=C1NC)OC(=O)C=C2C","RIZOSFDXIXBLIP-UHFFFAOYSA-N",33293,NA,"PDBC22210","93948","Present",NA,NA
+"22211","4,6-Dimethyl-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-N-[(E)-(6-methylpyridin-2-yl)methylideneamino]quinolin-2-amine",NA,"CC1=CC2=C(C=C1)N=C(C=C2C)NN=CC3=CC=CC(=N3)C","KDNFQYYVOLGCGG-YBFXNURJSA-N",5771681,NA,"PDBC22211","332429","Present",NA,NA
+"22212","4,6-Dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dimethyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine",NA,"CC1=CC2=C(C=C1)N=C(C=C2C)NN=C(C)C3=CC=CC=N3","MQAAKPITBPYSEY-KGENOOAVSA-N",9569345,NA,"PDBC22212","332430","Present",NA,NA
+"22213","4,6-Dinitro-2,1,3-benzothiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C6H2N4O4S",NA,"C1=C(C=C(C2=NSN=C21)[N+](=O)[O-])[N+](=O)[O-]","BYLOIWCTRDPRTP-UHFFFAOYSA-N",305451,NA,"PDBC22213","202427","Present",NA,NA
+"22214","4,6-Dinitro-5,7-bis[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dinitro-5,7-bis[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one",NA,"C1=C(OC(=C1)[N+](=O)[O-])C=NNC2=C(C(=C(C3=C2NC(=O)N3)[N+](=O)[O-])NN=CC4=CC=C(O4)[N+](=O)[O-])[N+](=O)[O-]","XLXCUDNBBXNJQR-CKVFWYFXSA-N",16129957,NA,"PDBC22214","715223","Present",NA,NA
+"22215","4,6-Dinitro-5-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dinitro-5-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one",NA,"C1=C(OC(=C1)[N+](=O)[O-])C=NNC2=C(C=C3C(=C2[N+](=O)[O-])NC(=O)N3)[N+](=O)[O-]","QATQPISZCMUSHC-YIXHJXPBSA-N",11979481,NA,"PDBC22215","715221","Present",NA,NA
+"22216","4,6-Dinitro-5-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dinitro-5-[(2E)-2-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]hydrazinyl]-1,3-dihydrobenzimidazol-2-one",NA,"C1=C(OC(=C1)[N+](=O)[O-])C=CC=NNC2=C(C=C3C(=C2[N+](=O)[O-])NC(=O)N3)[N+](=O)[O-]","NUYSJUBYWNEZDM-RFLQISBHSA-N",11979479,NA,"PDBC22216","710906","Present",NA,NA
+"22217","4,6-Dioxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dioxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile",NA,"C1CCN(C1)C2=C(C(=O)CC(=O)N2)C#N","DDHHWMQHDTWKOZ-UHFFFAOYSA-N",385020,NA,"PDBC22217","675873","Present",NA,NA
+"22218","4,6-Dioxo-5,6-diphenyl-N-(3-(trifluoromethyl)phenyl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dioxo-5,6-diphenyl-N-(3-(trifluoromethyl)phenyl)hexanamide",NA,"C1=CC=C(C=C1)C(C(=O)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(=O)C3=CC=CC=C3","MVPAKGDNDXQWHM-UHFFFAOYSA-N",360361,NA,"PDBC22218","622419","Present",NA,NA
+"22219","4,6-Dioxo-N-(3-(trifluoromethyl)phenyl)heptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Dioxo-N-(3-(trifluoromethyl)phenyl)heptanamide",NA,"CC(=O)CC(=O)CCC(=O)NC1=CC=CC(=C1)C(F)(F)F","MTENIPAQSNRHHC-UHFFFAOYSA-N",360432,NA,"PDBC22219","622568","Present",NA,NA
+"22220","4,6-Dioxoheptanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Heptanoic acid, 4,6-dioxo-",NA,"CC(=O)CC(=O)CCC(=O)O","WYEPBHZLDUPIOD-UHFFFAOYSA-N",5312,NA,"PDBC22220","174804","Present",NA,NA
+"22221","4,6-Diphenyl-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Diphenyl-1,3,5-thiadiazinane-2-thione",NA,"C1=CC=C(C=C1)C2NC(SC(=S)N2)C3=CC=CC=C3","PPCOHTPXMURTDH-UHFFFAOYSA-N",3701777,NA,"PDBC22221","150554","Present",NA,NA
+"22222","4,6-Diphenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Diphenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile",NA,"C1=CC=C(C=C1)C2C=C(N(C(=C2C#N)S)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","LVMVPMRIRRYZFF-UHFFFAOYSA-N",385419,NA,"PDBC22222","676599","Present",NA,NA
+"22223","4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiol-2-one",NA,"CC(C)(C)C1=CC(=C2C(=C1O)OC(=O)S2)C(C)(C)C","SNFKOPKJGBNCDM-UHFFFAOYSA-N",398519,NA,"PDBC22223","708430","Present",NA,NA
+"22224","4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Ditert-butyl-7-hydroxy-1,3-benzoxathiole-2-thione",NA,"CC(C)(C)C1=CC(=C2C(=C1O)OC(=S)S2)C(C)(C)C","DDCROOLEUJDVKN-UHFFFAOYSA-N",397596,NA,"PDBC22224","705937","Present",NA,NA
+"22225","4,6-Pyrimidinediol, 2-(1H-benzimidazol-2-ylamino)-5-propyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Pyrimidinediol, 2-(1H-benzimidazol-2-ylamino)-5-propyl-",NA,"CCCC1=C(N=C(NC1=O)NC2=NC3=CC=CC=C3N2)O","RGDUVHJXEAPBEU-UHFFFAOYSA-N",387154,NA,"PDBC22225","680668","Present",NA,NA
+"22226","4,6-Tribromo-7-(3-N-methylpiperazinyl-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-tribromo-7-(3-N-methylpiperazinyl-2-hydroxypropoxy...",NA,"CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CN3CCN(CC3)C)O)C.Cl","XDUCUDRXKZQUNC-UHFFFAOYSA-N",45028075,NA,"PDBC22226","741080","Present",NA,NA
+"22227","4,6-Tribromo-7-(3-[4-(1-pyridyl)-1-piperazinyl]-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-tribromo-7-(3-[4-(1-pyridyl)-1-piperazinyl]-2-hydr...",NA,"CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CN3CCN(CC3)C4=CC=CC=N4)O)C.Cl","FQGXCVCMGJCGMC-UHFFFAOYSA-N",45028083,NA,"PDBC22227","741084","Present",NA,NA
+"22228","4,6-Tribromo-7-(3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-tribromo-7-(3-[4-(2-methoxyphenyl)-1-piperazinyl]-...",NA,"CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CN3CCN(CC3)C4=CC=CC=C4OC)O)C.Cl","GNYCBWFIZGHEQA-UHFFFAOYSA-N",45028081,NA,"PDBC22228","741083","Present",NA,NA
+"22229","4,6-Tribromo-7-(3-diethylamino-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-tribromo-7-(3-diethylamino-2-hydroxypropoxy)-2,3-d...",NA,"CCN(CC)CC(COC1=C(C(=C(C2=C1OC(C2)(C)C)Br)Br)Br)O.Cl","QPKDYFPQAOWLCZ-UHFFFAOYSA-N",45028079,NA,"PDBC22229","741082","Present",NA,NA
+"22230","4,6-Tribromo-7-(3-morpholinyl-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-tribromo-7-(3-morpholinyl-2-hydroxypropoxy)-2,3-di...",NA,"CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CN3CCOCC3)O)C.Cl","ZHJGTMGJZKMHMM-UHFFFAOYSA-N",45028077,NA,"PDBC22230","741081","Present",NA,NA
+"22231","4,6-Tribromo-7-(3-t-butyamino-2-hydroxypropoxy)-2,3-dihydro-2,2-dimethyl-benzo[b]furan hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5,6-tribromo-7-(3-t-butyamino-2-hydroxypropoxy)-2,3-di...",NA,"CC1(CC2=C(O1)C(=C(C(=C2Br)Br)Br)OCC(CNC(C)(C)C)O)C.Cl","HSVJEFFFPZUCDG-UHFFFAOYSA-N",45028073,NA,"PDBC22231","741079","Present",NA,NA
+"22232","4,6a-Dihydro-3aH-cyclopenta[d][1,2,3]trithiole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6a-Dihydro-3aH-cyclopenta[d][1,2,3]trithiole",NA,"C1C=CC2C1SSS2","FQGAFLWXVAGMFY-UHFFFAOYSA-N",372812,NA,"PDBC22232","648475","Present",NA,NA
+"22233","4,6a-Dihydroxy-7-(4-methoxyphenyl)-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6a-Dihydroxy-7-(4-methoxyphenyl)-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile",NA,"CC1=C(C23C(=C(C=CC2(N1C4=CC=C(C=C4)OC)O)O)C(=O)N(C3=O)C5=CC=CC=C5)C#N","NHKXUYCRMRZTKY-UHFFFAOYSA-N",54746663,NA,"PDBC22233","740844","Present",NA,NA
+"22234","4,7,10-Tris((4-methylphenyl)sulfonyl)-1-thia-4,7,10-triazacyclododecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7,10-Tris((4-methylphenyl)sulfonyl)-1-thia-4,7,10-triazacyclododecane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C","HEKPYWNWCRDDFX-UHFFFAOYSA-N",373816,NA,"PDBC22234","650779","Present",NA,NA
+"22235","4,7,12,15-Tetramethoxy-10-propyltetracyclo[8.7.1.03,8.011,16]octadeca-3,5,7,11,13,15-hexaen-18-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7,12,15-Tetramethoxy-10-propyltetracyclo[8.7.1.03,8.011,16]octadeca-3,5,7,11,13,15-hexaen-18-one",NA,"CCCC12CC3=C(C=CC(=C3CC(C1=O)CC4=C(C=CC(=C24)OC)OC)OC)OC","BQKDLEQJNGWSHS-UHFFFAOYSA-N",359518,NA,"PDBC22235","620501","Present",NA,NA
+"22236","4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8,8,8] hexacos...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8,8,8] hexacos...",NA,NA,NA,NA,NA,"PDBC22236","632607","Present",NA,NA
+"22237","4,7,8,10-Tetrahydro-2H-[1,4]oxazino[2,3-h][1,5]benzothiazepine-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7,8,10-Tetrahydro-2H-[1,4]oxazino[2,3-h][1,5]benzothiazepine-3,9-dione",NA,"C1CSC2=CC3=C(C=C2NC1=O)OCC(=O)N3","MOPYUBDHHQFRAX-UHFFFAOYSA-N",372611,NA,"PDBC22237","647972","Present",NA,NA
+"22238","4,7,8-Metheno-4H-1,4-benzothiazine-3,8,8a-tricarboxylic acid, 4a,7-dihydro-6-methyl-2-(methylthio)-, trimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 5-methyl-10-methylsulfanyl-9-thia-1-azatetracyclo[5.4.0.02,4.03,8]undeca-5,10-diene-3,8,11-tricarboxylate",NA,"CC1=CC2C3(C4(C1C4N2C(=C(S3)SC)C(=O)OC)C(=O)OC)C(=O)OC","GQNAOXKODNWXIL-UHFFFAOYSA-N",375063,NA,"PDBC22238","653946","Present",NA,NA
+"22239","4,7-Bis[5-(2,1,3-benzothiadiazol-4-yl)-1H-pyrrol-2-yl]-2,1,3-benzothiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Bis[5-(2,1,3-benzothiadiazol-4-yl)-1H-pyrrol-2-yl]-2,1,3-benzothiadiazole",NA,"C1=CC2=NSN=C2C(=C1)C3=CC=C(N3)C4=CC=C(C5=NSN=C45)C6=CC=C(N6)C7=CC=CC8=NSN=C87","XFIPMJNWOGPOOS-UHFFFAOYSA-N",394789,NA,"PDBC22239","698574","Present",NA,NA
+"22240","4,7-Dichloro-1,2,3-benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636106",NA,"C1=C(C2=NS[S+]=C2C(=C1)Cl)Cl.[Cl-]","VWLIXNSNKKASJE-UHFFFAOYSA-M",366943,NA,"PDBC22240","636106","Present",NA,NA
+"22241","4,7-Dichloro-2-phenylquinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7930AB",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=N2)Cl","YHPZVDQRVXUAKF-UHFFFAOYSA-N",362506,NA,"PDBC22241","626528","Present",NA,NA
+"22242","4,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,"C1=COC(=C1)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O","OBWWJIRIIGIDGW-UHFFFAOYSA-N",366726,NA,"PDBC22242","635443","Present",NA,NA
+"22243","4,7-Dichloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Dichloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,"C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O)F","JBFSDQSHSSHAOT-UHFFFAOYSA-N",366628,NA,"PDBC22243","635303","Present",NA,NA
+"22244","4,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=C(C=CC(=C4NC3=O)Cl)Cl)O","WQCYNLDLKZSHSU-UHFFFAOYSA-N",366652,NA,"PDBC22244","635327","Present",NA,NA
+"22245","4,7-Dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C=CC(=C4NC3=O)Cl)Cl)O","VWMXTTTURNAMRN-UHFFFAOYSA-N",366524,NA,"PDBC22245","635133","Present",NA,NA
+"22246","4,7-Dichloro-8-iodoquinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Dichloro-8-iodoquinazoline",NA,"C1=CC(=C(C2=C1C(=NC=N2)Cl)I)Cl","HYTRTTAFHASZOE-UHFFFAOYSA-N",374001,NA,"PDBC22246","651041","Present",NA,NA
+"22247","4,7-Dichloroquinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinazoline, 4,7-dichloro-",NA,"C1=CC2=C(C=C1Cl)N=CN=C2Cl","FDPHWQSGEWRZOL-UHFFFAOYSA-N",241881,NA,"PDBC22247","49795","Present",NA,NA
+"22248","4,7-Dihydroxy-1H-1,2,3-triazolo[4,5-d]pyridazine-1-butyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,7-Dioxo-5,6-dihydrotriazolo[4,5-d]pyridazin-3-yl)butanoic acid",NA,"C(CC(=O)O)CN1C2=C(C(=O)NNC2=O)N=N1","PBZLPVABAXQWPI-UHFFFAOYSA-N",135489809,NA,"PDBC22248","679061","Present",NA,NA
+"22249","4,7-Dihydroxy-8-methyl-3-(p-tolylsulfonyl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Dihydroxy-8-methyl-3-(p-tolylsulfonyl)chromen-2-one",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=C(C(=C(C=C3)O)C)OC2=O)O","LZWDPVNXTCKEEZ-UHFFFAOYSA-N",54686213,NA,"PDBC22249","695622","Present",NA,NA
+"22250","4,7-Dimethoxyfuro[2,3-b]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Dimethoxyfuro[2,3-b]quinolin-8-ol",NA,"COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)O","YETVAZKVSQUUFY-UHFFFAOYSA-N",371227,NA,"PDBC22250","645284","Present",NA,NA
+"22251","4,7-Dimethyl-1,10-phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Dimethyl-o-phenanthroline",NA,"CC1=C2C=CC3=C(C=CN=C3C2=NC=C1)C","JIVLDFFWTQYGSR-UHFFFAOYSA-N",72792,NA,"PDBC22251","4281","Present",NA,NA
+"22252","4,7-Diphenyl-1,10-phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Diphenyl-1,10-phenanthroline",NA,"C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5","DHDHJYNTEFLIHY-UHFFFAOYSA-N",72812,NA,"PDBC22252","637659","Present",NA,NA
+"22253","4,7-Diphenyl-1,10-phenanthroline;iron(2+);chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Diphenyl-1,10-phenanthroline;iron(2+);chloride",NA,"C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Cl-].[Fe+2]","OZTYFTUHRWHBKU-UHFFFAOYSA-M",24202031,NA,"PDBC22253","619181","Present",NA,NA
+"22254","4,7-Epoxy-1H-1,2,3-benzotriazole, 1-(2,2-dimethyl-1-oxopropoxy)-3a,4,5,6,7,7a-hexahydro-6,6-bis(phenylmethoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[9,9-Bis(phenylmethoxy)-10-oxa-3,4,5-triazatricyclo[5.2.1.02,6]dec-4-en-3-yl] 2,2-dimethylpropanoate",NA,"CC(C)(C)C(=O)ON1C2C(C3CC(C2O3)(OCC4=CC=CC=C4)OCC5=CC=CC=C5)N=N1","YLKOPWNKCSOKQU-UHFFFAOYSA-N",368612,NA,"PDBC22254","639720","Present",NA,NA
+"22255","4,7-Epoxy-1H-1,2,3-benzotriazole-1-carboxylic acid, 3a,4,5,6,7,7a-hexahydro-5,5-bis(phenylmethoxy)-, 1,1-dimethylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 8,8-bis(phenylmethoxy)-10-oxa-3,4,5-triazatricyclo[5.2.1.02,6]dec-4-ene-3-carboxylate",NA,"CC(C)(C)OC(=O)N1C2C3CC(C(C2N=N1)O3)(OCC4=CC=CC=C4)OCC5=CC=CC=C5","YORGOOPBWMDNPQ-UHFFFAOYSA-N",368611,NA,"PDBC22255","639719","Present",NA,NA
+"22256","4,7-Epoxy-1H-1,2,3-benzotriazole-1-carboxylic acid, 5-(acetyloxy)-5-cyano-3a,4,5,6,7,7a-hexahydro-, ethyl ester, (5S,7aS)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2S,8S)-8-acetyloxy-8-cyano-10-oxa-3,4,5-triazatricyclo[5.2.1.02,6]dec-4-ene-3-carboxylate",NA,"CCOC(=O)N1C2C3CC(C(C2N=N1)O3)(C#N)OC(=O)C","TZADEKGEFMPFBJ-ADBPREKYSA-N",465207,NA,"PDBC22256","628439","Present",NA,NA
+"22257","4,7-Epoxy-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-methyl-4-[(2-propynyloxy)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673445///NSC673447",NA,"CN1C(=O)C2C3C=CC(C2C1=O)(O3)COCC#C","NNCFMBDCZRRLBH-UHFFFAOYSA-N",384156,NA,"PDBC22257","673445///673447","Present",NA,NA
+"22258","4,7-Epoxy-1H-isoindole-5-acetic acid, octahydro-7-(methoxycarbonyl)-4-methyl-1,3,6-trioxo-2-phenyl-, 1,1-dimethylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-methyl-6-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,3,5-trioxo-2-phenyl-6,7a-dihydro-3aH-4,7-epoxyisoindole-4-carboxylate",NA,"CC12C(C(=O)C(O1)(C3C2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC)CC(=O)OC(C)(C)C","YKSHORCXQHQFSI-UHFFFAOYSA-N",394457,NA,"PDBC22258","697931","Present",NA,NA
+"22259","4,7-Epoxy-5H-pyrrolo[3,4-c]pyridine-5-acetic acid, octahydro-7-(methoxycarbonyl)-4-(4-nitrophenyl)-1,3,6-trioxo-2-phenyl-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-(2-methoxy-2-oxoethyl)-7-(4-nitrophenyl)-3,5,9-trioxo-4-phenyl-10-oxa-4,8-diazatricyclo[5.2.1.02,6]decane-1-carboxylate",NA,"COC(=O)CN1C(=O)C2(C3C(C1(O2)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)N(C3=O)C5=CC=CC=C5)C(=O)OC","BNBPCLOUUOSCEH-UHFFFAOYSA-N",394456,NA,"PDBC22259","697930","Present",NA,NA
+"22260","4,7-Epoxycyclopent[d][1,3]oxazin-2(1H)-one, hexahydro-6,6-bis(phenylmethoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Epoxycyclopent[d][1,3]oxazin-2(1H)-one, hexahydro-6,6-bis(phenylmethoxy)-",NA,"C1C2C3C(C1(OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC2OC(=O)N3","SFZWSXJPRKAORB-UHFFFAOYSA-N",368605,NA,"PDBC22260","639714","Present",NA,NA
+"22261","4,7-Epoxyisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-4-[(2-propynyloxy)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Epoxyisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-4-[(2-propynyloxy)methyl]-",NA,"C#CCOCC12C=CC(O1)C3C2COC3=O","GYGRMPPKEKYBFK-UHFFFAOYSA-N",384154,NA,"PDBC22261","673443","Present",NA,NA
+"22262","4,7-Epoxyisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-7-[(2-propynyloxy)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Epoxyisobenzofuran-1(3H)-one, 3a,4,7,7a-tetrahydro-7-[(2-propynyloxy)methyl]-",NA,"C#CCOCC12C=CC(O1)C3C2C(=O)OC3","AMFXCXYIQYNCFM-UHFFFAOYSA-N",384155,NA,"PDBC22262","673444","Present",NA,NA
+"22263","4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-3a,7a-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Epoxyisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-3a,7a-dimethyl-",NA,"CC12C3C=CC(C1(C(=O)OC2=O)C)O3","RXBROZSQDAUFHD-UHFFFAOYSA-N",381107,NA,"PDBC22263","667270","Present",NA,NA
+"22264","4,7-Ethano-3a,7a-(methanoiminomethano)-1H-isoindole-1,3,8,10(2H)-tetrone, 4,7-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,11-Diazatetracyclo[4.3.3.22,5.01,6]tetradec-3-ene-7,9,10,12-tetrone",NA,"C1CC2C=CC1C34C2(C(=O)NC3=O)C(=O)NC4=O","PXLZWEXXRPTWHY-UHFFFAOYSA-N",377597,NA,"PDBC22264","659171","Present",NA,NA
+"22265","4,7-Ethenocyclobuta[3',4']cyclobuta[1',2':4,5]benzo[1,2-c]furan-1,3-dione, 3a,4,4a,4b,6a,6b,7,7a-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Oxapentacyclo[6.5.2.02,7.03,6.09,13]pentadeca-4,14-diene-10,12-dione",NA,"C1=CC2C1C3C2C4C=CC3C5C4C(=O)OC5=O","UOHVXCZAZIYNAK-UHFFFAOYSA-N",361822,NA,"PDBC22265","625140","Present",NA,NA
+"22266","4,7-Ethenopyrano[3,4-c]pyrrole-9-carboxylic acid, 1,2,3,3a,4,6,7,7a-octahydro-1,3,6-trioxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,5,9-trioxo-8-oxa-4-azatricyclo[5.2.2.02,6]undec-10-ene-11-carboxylate",NA,"COC(=O)C1=CC2C3C(C1OC2=O)C(=O)NC3=O","ZJMMDPXNFQBWNT-UHFFFAOYSA-N",368286,NA,"PDBC22266","638790","Present",NA,NA
+"22267","4,7-Methano-1,2-benzisoxazole, 3-(4-chlorophenyl)-3a,4,5,6,7,7a-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Methano-1,2-benzisoxazole, 3-(4-chlorophenyl)-3a,4,5,6,7,7a-hexahydro-",NA,"C1CC2CC1C3C2ON=C3C4=CC=C(C=C4)Cl","LIDSHSJJGBRCMP-UHFFFAOYSA-N",368747,NA,"PDBC22267","639901","Present",NA,NA
+"22268","4,7-Methano-1,2-benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-(3-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Methano-1,2-benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-(3-nitrophenyl)-",NA,"C1CC2CC1C3C2ON=C3C4=CC(=CC=C4)[N+](=O)[O-]","QXHHGEFRUFZFRR-UHFFFAOYSA-N",368748,NA,"PDBC22268","639902","Present",NA,NA
+"22269","4,7-Methano-1,2-benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenyl-3a,4,5,6,7,7a-hexahydro-4,7-methano-1,2-benzisoxazole",NA,"C1CC2CC1C3C2ON=C3C4=CC=CC=C4","YNXKJMWFYRXAGQ-UHFFFAOYSA-N",368746,NA,"PDBC22269","639900","Present",NA,NA
+"22270","4,7-Methano-1H-indene, 1,2-dibromo-5-chlorooctahydro-6-nitroso-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Methanoindan, 1,2-dibromo-5-chloro hexahydro-6-nitro...",NA,"C1C2C3CC(C(C3C1C(C2Cl)N=O)Br)Br","RTOAGUKGFNBCKI-UHFFFAOYSA-N",290651,NA,"PDBC22270","154743","Present",NA,NA
+"22271","4,7-Methano-1H-indene, 3a,4,7,7a-tetrahydro-1,1,8,8-tetramethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,10,10-Tetramethoxytricyclo[5.2.1.02,6]deca-3,8-diene",NA,"COC1(C=CC2C1C3C=CC2C3(OC)OC)OC","OIQZERUJDITKRB-UHFFFAOYSA-N",380734,NA,"PDBC22271","666441","Present",NA,NA
+"22272","4,7-Methano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[2-hydroxy-1-(hydroxymethyl)-1-methylethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Dihydroxy-2-methylpropan-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione",NA,"CC(CO)(CO)N1C(=O)C2C3CC(C2C1=O)C=C3","WRMJQSBMRWQTNQ-UHFFFAOYSA-N",380637,NA,"PDBC22272","666313","Present",NA,NA
+"22273","4,7-Methanobenzo[b]thiophene-5-carboxylic acid, 2,2,3,3-tetrafluorooctahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Methanobenzo[b]thiophene-5-carboxylic acid, 2,2,3,3-tetrafluorooctahydro-, methyl ester",NA,"COC(=O)C1CC2CC1C3C2SC(C3(F)F)(F)F","HCPVBBPSFIHYAT-UHFFFAOYSA-N",379832,NA,"PDBC22273","664963","Present",NA,NA
+"22274","4,7-Methanobenzo[c]thiophene, 4,5,6,7-tetrahydro-1,3-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Methanobenzo[c]thiophene, 4,5,6,7-tetrahydro-1,3-diphenyl-",NA,"C1CC2CC1C3=C(SC(=C23)C4=CC=CC=C4)C5=CC=CC=C5","KYMBUBVYNREWMP-UHFFFAOYSA-N",381276,NA,"PDBC22274","667712","Present",NA,NA
+"22275","4,8,11-Tris((4-methylphenyl)sulfonyl)-1-thia-4,8,11-triazacyclotetradecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8,11-Tris((4-methylphenyl)sulfonyl)-1-thia-4,8,11-triazacyclotetradecane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CCSCCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C","MCAHHGFCBLGPGL-UHFFFAOYSA-N",373815,NA,"PDBC22275","650778","Present",NA,NA
+"22276","4,8,8-Trimethyl-1H-pyrano[2,3-h]quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8,8-Trimethyl-8H-pyrano[2,3-h]quinolin-2-ol",NA,"CC1=CC(=O)NC2=C1C=CC3=C2C=CC(O3)(C)C","FCVQLBDLMFSDAX-UHFFFAOYSA-N",395574,NA,"PDBC22276","700280","Present",NA,NA
+"22277","4,8,9,9-Tetracarbonitrile, 2,4,7,7a-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Ethano-1H-indene-8,8,9,9-tetracarbonitrile, 2,4,7,7a...",NA,"C1CC2C3C=CC(C2=C1)C(C3(C#N)C#N)(C#N)C#N","NMDYXEJUQZVVHX-UHFFFAOYSA-N",296974,NA,"PDBC22277","167551","Present",NA,NA
+"22278","4,8,9,9-Tetracarbonitrile, 3a,4,7,7a-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-Ethano-1H-indene-8,8,9,9-tetracarbonitrile, 3a,4,7,7...",NA,"C1C=CC2C1C3C=CC2C(C3(C#N)C#N)(C#N)C#N","CYSTZUCLHDKJNU-UHFFFAOYSA-N",296973,NA,"PDBC22278","167550","Present",NA,NA
+"22279","4,8-Bis(acetylamino)-1-naphthyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4,8-diacetamido-1-naphthyl) thiocyanate",NA,"CC(=O)NC1=C2C=CC=C(C2=C(C=C1)SC#N)NC(=O)C","UUCQONZKEPLUFP-UHFFFAOYSA-N",361868,NA,"PDBC22279","625188","Present",NA,NA
+"22280","4,8-Bis(dicyanomethylene)-2,6-dithia-2H,6H-1,3,5,7-tetraaza-s-indacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[8-(Dicyanomethylidene)-[1,2,5]thiadiazolo[3,4-f][2,1,3]benzothiadiazol-4-ylidene]propanedinitrile",NA,"C(#N)C(=C1C2=NSN=C2C(=C(C#N)C#N)C3=NSN=C13)C#N","WWJXWOZMFLRPQR-UHFFFAOYSA-N",360481,NA,"PDBC22280","622615","Present",NA,NA
+"22281","4,8-Bis[(3,5-ditert-butylphenyl)methoxy]-[1,3]dithiolo[4,5-f][1,3]benzodithiole-2,6-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Bis[(3,5-ditert-butylphenyl)methoxy]-[1,3]dithiolo[4,5-f][1,3]benzodithiole-2,6-dithione",NA,"CC(C)(C)C1=CC(=CC(=C1)COC2=C3C(=C(C4=C2SC(=S)S4)OCC5=CC(=CC(=C5)C(C)(C)C)C(C)(C)C)SC(=S)S3)C(C)(C)C","DMUGRLQSDRWKRP-UHFFFAOYSA-N",362822,NA,"PDBC22281","627179","Present",NA,NA
+"22282","4,8-Dichloro-6,11-dimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-dichloro-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrim...",NA,"CC1CC2=C(N=CN=C2Cl)N(C3=C1C=C(C=C3)Cl)C","BJNRIFXVPSUSLV-UHFFFAOYSA-N",155815145,NA,"PDBC22282","782534","Present",NA,NA
+"22283","4,8-Diethoxythieno[2,3-f][1]benzothiole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']dithiophene, 4,8-diethoxy-",NA,"CCOC1=C2C=CSC2=C(C3=C1SC=C3)OCC","XKWFECQTSQIZJK-UHFFFAOYSA-N",387771,NA,"PDBC22283","681825","Present",NA,NA
+"22284","4,8-Dihydroxy-4-methylbicyclo[3.2.1]octane-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Dihydroxy-4-methylbicyclo[3.2.1]octane-1-carbonitrile",NA,"CC1(CCC2(CCC1C2O)C#N)O","FJSISPNYZHFTCV-UHFFFAOYSA-N",371762,NA,"PDBC22284","646205","Present",NA,NA
+"22285","4,8-Dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Dihydroxy-6-methoxy-3,4,5-trimethylnaphtho[2,3-b]furan-9(4H)-one",NA,"CC1=COC2=C1C(C3=C(C2=O)C(=CC(=C3C)OC)O)(C)O","UGIZRFRSCNHRSP-UHFFFAOYSA-N",362559,NA,"PDBC22285","626641","Present",NA,NA
+"22286","4,8-Dimethoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Dimethoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole",NA,"COC1=CC2=C(C=C1)N(C3=C2CCC4=C3C=CC=C4OC)CCN5CCCCC5","NYNROQHGLBJGON-UHFFFAOYSA-N",390908,NA,"PDBC22286","689083","Present",NA,NA
+"22287","4,8-Dimethoxy-6,11-dihydro-5H-benzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Dimethoxy-6,11-dihydro-5H-benzo[a]carbazole",NA,"COC1=CC2=C(C=C1)NC3=C2CCC4=C3C=CC=C4OC","CIXLCZNDMLHJGC-UHFFFAOYSA-N",390907,NA,"PDBC22287","689082","Present",NA,NA
+"22288","4,8-Dimethoxythieno[2,3-f][1]benzothiole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DJAREVVDYFIGBP-UHFFFAOYSA-N",NA,"COC1=C2C=CSC2=C(C3=C1SC=C3)OC","DJAREVVDYFIGBP-UHFFFAOYSA-N",387773,NA,"PDBC22288","681827","Present",NA,NA
+"22289","4,8-Dioxothieno[3,2-f][1]benzothiole-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:5,4-b']dithiophene-2-carboxaldehyde, 4,8-dioxo-",NA,"C1=CSC2=C1C(=O)C3=C(C2=O)SC(=C3)C=O","BNSGSFPTSNIIMM-UHFFFAOYSA-N",375902,NA,"PDBC22289","656239","Present",NA,NA
+"22290","4,8-Ethenopyrrolo[3,4-f]isoindole-9-carboxylic acid, 1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-8,10-dimethyl-1,3,5,7-tetraoxo-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,14-dimethyl-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate",NA,"CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)NC4=O)C)C(=O)NC3=O)C","DQHZYZKPZAYQIF-UHFFFAOYSA-N",372068,NA,"PDBC22290","646934","Present",NA,NA
+"22291","4,8-Methanoazulene-1,9(2H)-dione, octahydro-2,2,4,8-tetramethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,4,7-Tetramethyltricyclo[5.3.1.02,6]undecane-3,11-dione",NA,"CC1(CC2C(C1=O)C3(CCCC2(C3=O)C)C)C","JADJNAKWESLSIG-UHFFFAOYSA-N",382547,NA,"PDBC22291","670157","Present",NA,NA
+"22292","4,8-Methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol,5,6,7,8,14,14b-hexahydro-7-methyl-, (4bS,8R,8aS,14bR)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"22-Methyl-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol",NA,"CN1CCC23C4C5=C(CC2(C1CC6=C3C(=C(C=C6)O)O4)O)C7=CC=CC=C7N5","YQNZUKAKYJMEFE-UHFFFAOYSA-N",398245,NA,"PDBC22292","707844","Present",NA,NA
+"22293","4,8:6,10-Dimethanoisoxazolo[2,3-a]azonine-3-carboxylic acid, 3a,4,5,6,7,8,9,10-octahydro-3a-methyl-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-methyl-3-oxa-2-azatetracyclo[7.3.1.17,11.02,6]tetradec-4-ene-5-carboxylate",NA,"CC12C3CC4CC(C3)CC(C4)N1OC=C2C(=O)OC","SMZJZPDJPHIEPK-UHFFFAOYSA-N",382989,NA,"PDBC22293","670946","Present",NA,NA
+"22294","4,8a-Dimethyl-6-(6-methyl-4-oxoheptan-2-yl)-1,4a,5,6,7,8-hexahydronaphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1,5-Dimethyl-3-oxo-hexyl)-4,8a-dimethyl-1,4a,5,6,7,8-hexahydronaphthalen-2-one",NA,"CC1=CC(=O)CC2(C1CC(CC2)C(C)CC(=O)CC(C)C)C","KSTIKZQCKBKJKQ-UHFFFAOYSA-N",390517,NA,"PDBC22294","687958","Present",NA,NA
+"22295","4,9,13,18-Tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),3(10),8,13-tetraene-2,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9,13,18-Tetrazapentacyclo[10.6.0.03,10.04,8.014,18]octadeca-1(12),3(10),8,13-tetraene-2,11-dione",NA,"C1CC2=NC3=C(N2C1)C(=O)C4=C(C3=O)N=C5N4CCC5","DTQQFGXBNSEYAW-UHFFFAOYSA-N",374655,NA,"PDBC22295","652731","Present",NA,NA
+"22296","4,9-Bis(2,4,6-trimethylphenyl)-1,2,3,4,6,7,8,9-octahydropyrido[3,4-g]isoquinoline; 2-hydroxy-2-phenyl-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[3,4-g]isoquinoline, 1,2,3,4,6,7,8,9-octahydro- 4,...",NA,"CC1=CC(=C(C(=C1)C)C2CNCC3=CC4=C(CNCC4C5=C(C=C(C=C5C)C)C)C=C23)C.C1=CC=C(C=C1)C(C(=O)O)O","UZWBYNIXIHMYOQ-UHFFFAOYSA-N",499458,NA,"PDBC22296","678412","Present",NA,NA
+"22297","4,9-Bis(4-methylphenyl)-3,10-bis(methylthio)-5,8-diphenyl-1,2,5,8-dithiadiazecine-6,7(5H,8H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z,9Z)-3,10-Bis(methylsulfanyl)-5,8-diphenyl-4,9-bis(p-tolyl)-1,2,5,8-dithiadiazecine-6,7-dione",NA,"CC1=CC=C(C=C1)C2=C(SSC(=C(N(C(=O)C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)C)SC)SC","GWXFLPHMVDEBPY-YIVISXGPSA-N",3005077,NA,"PDBC22297","670364","Present",NA,NA
+"22298","4,9-Bis[4-(4-aminophenoxy)phenyl]diamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9-Bis[4-(4-aminophenoxy)phenyl]diamantane",NA,"C1C2C3CC4(CC2C5CC1(CC3C5C4)C6=CC=C(C=C6)OC7=CC=C(C=C7)N)C8=CC=C(C=C8)OC9=CC=C(C=C9)N","GNFVTFLSFCYAML-UHFFFAOYSA-N",397905,NA,"PDBC22298","706830","Present",NA,NA
+"22299","4,9-Diaminodiamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9-Diaminodiamantane",NA,"C1C2C3CC4(CC2C5CC1(CC3C5C4)N)N","OQFGCBHYTPVGEY-UHFFFAOYSA-N",397912,NA,"PDBC22299","706837","Present",NA,NA
+"22300","4,9-Diaza-4H-dibenzo[a,de]naphthacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,20-Diazahexacyclo[11.11.1.02,11.04,9.014,19.021,25]pentacosa-1(24),2,4,6,8,10,13(25),14,16,18,20,22-dodecaene",NA,"C1=CC=C2C=C3C(=CC2=C1)C4=CC=CC5=NC6=CC=CC=C6C(=C54)N3","PVYQSPFUJLWTQF-UHFFFAOYSA-N",438795,NA,"PDBC22300","670695","Present",NA,NA
+"22301","4,9-Dichloro-3,8-bis(2-chloroethyl)-2,7-dimethylbenzo[g]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9-Dichloro-3,8-bis(2-chloroethyl)-2,7-dimethylbenzo[g]quinoline",NA,"CC1=CC2=CC3=C(C(=C(N=C3C=C2C(=C1CCCl)Cl)C)CCCl)Cl","FXYGOSMCNPRVBV-UHFFFAOYSA-N",387224,NA,"PDBC22301","680786","Present",NA,NA
+"22302","4,9-Dihydro-3H-pyrido[3,4-b]indol-2-ium-2-yl-(5-methoxy-2,5-dihydrofuran-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9-Dihydro-3H-pyrido[3,4-b]indol-2-ium-2-yl-(5-methoxy-2,5-dihydrofuran-2-yl)methanone",NA,"COC1C=CC(O1)C(=O)[N+]2=CC3=C(CC2)C4=CC=CC=C4N3","HHOFCAVELYLMKU-UHFFFAOYSA-O",372323,NA,"PDBC22302","647382","Present",NA,NA
+"22303","4,9-Dihydro[1,4]thiazino[2,3-g][1,4]benzoxazine-3,8(2H,7H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9-Dihydro[1,4]thiazino[2,3-g][1,4]benzoxazine-3,8(2H,7H)-dione",NA,"C1C(=O)NC2=C(O1)C=C3C(=C2)SCC(=O)N3","HLARMQHPYJGSOW-UHFFFAOYSA-N",372612,NA,"PDBC22303","647973","Present",NA,NA
+"22304","4,9-Dihydroxy-2'-methoxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9-Dihydroxy-2'-methoxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one",NA,"COC1=CC2(CCN=C3C2=C(C4=NC=NC4=C3O)O)C=CC1=O","DWEQOBSYTVYBMT-UHFFFAOYSA-N",4438097,NA,"PDBC22304","682434","Present",NA,NA
+"22305","4,9-Dihydroxyspiro[6,7-dihydroimidazo[4,5-g]quinoline-8,4'-cyclohexa-2,5-diene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671094///NSC671194",NA,"C1CN=C2C(=C(C3=NC=NC3=C2O)O)C14C=CC(=O)C=C4","SGQJZRVKYUTVFU-UHFFFAOYSA-N",383050,NA,"PDBC22305","671094///671194","Present",NA,NA
+"22306","4,9-Dimethyl-1,2-bis(trifluoromethyl)-3,10-dioxa-5,8-diazatricyclo[5.3.0.02,6]deca-4,8-diene-6,7-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9-Dimethyl-1,2-bis(trifluoromethyl)-3,10-dioxa-5,8-diazatricyclo[5.3.0.02,6]deca-4,8-diene-6,7-dicarboxylic acid",NA,"CC1=NC2(C3(C(C2(O1)C(F)(F)F)(OC(=N3)C)C(F)(F)F)C(=O)O)C(=O)O","ARIUVDLPYPBNMB-UHFFFAOYSA-N",357623,NA,"PDBC22306","617147","Present",NA,NA
+"22307","4,9-Dioxo-1-H-naphth[2.3-D]imidazolium, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-2-methyl-1-(2-m...",NA,"CC1=[N+](C2=C(N1CC(C)C)C(=O)C3=CC=CC=C3C2=O)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]","SDVDJIZVNFVMLG-UHFFFAOYSA-M",24188901,NA,"PDBC22307","80467","Present",NA,NA
+"22308","4,9-Epoxynaphtho[2,3-c]furan-1,3-dione, 5,6,7,8-tetrabromo-3a,4,9,9a-tetrahydro-4,9-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9-Epoxynaphtho[2,3-c]furan-1,3-dione, 5,6,7,8-tetrabromo-3a,4,9,9a-tetrahydro-4,9-diphenyl-",NA,"C1=CC=C(C=C1)C23C4C(C(=O)OC4=O)C(O2)(C5=C3C(=C(C(=C5Br)Br)Br)Br)C6=CC=CC=C6","BGYCSUWVTBUNEJ-UHFFFAOYSA-N",363397,NA,"PDBC22308","628300","Present",NA,NA
+"22309","4,9-Methano-1H-biphenyleno[2,3-d]-1,2,3-triazole, 3a,4,4a,8b,9,9a-hexahydro-1-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9-Methano-1H-biphenyleno[2,3-d]-1,2,3-triazole, 3a,4,4a,8b,9,9a-hexahydro-1-phenyl-",NA,"C1C2C3C(C1C4C2N=NN4C5=CC=CC=C5)C6=CC=CC=C36","UKTVKFFIDCNWLV-UHFFFAOYSA-N",363207,NA,"PDBC22309","627881","Present",NA,NA
+"22310","4,9-Methanonaphtho[2,3-c]furan-4(1H)-carboxylic acid, 3,3a,9,9a-tetrahydro-1,3-dioxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,9-Methanonaphtho[2,3-c]furan-4(1H)-carboxylic acid, 3,3a,9,9a-tetrahydro-1,3-dioxo-, methyl ester",NA,"COC(=O)C12CC(C3C1C(=O)OC3=O)C4=CC=CC=C24","BHFQMBLZJCNYDH-UHFFFAOYSA-N",367131,NA,"PDBC22310","636518","Present",NA,NA
+"22311","4-(((((1-Methylethylidene)amino)oxy)carbonyl)amino)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((((1-Methylethylidene)amino)oxy)carbonyl)amino)-1,3-benzodioxole",NA,"CC(=NOC(=O)NC1=C2C(=CC=C1)OCO2)C","HOWDTJXNBAPBDN-UHFFFAOYSA-N",379600,NA,"PDBC22311","664296","Present",NA,NA
+"22312","4-((((4-Methoxyphenyl)(2-thienyl)methylene)amino)oxy)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((((4-Methoxyphenyl)(2-thienyl)methylene)amino)oxy)butanoic acid",NA,"COC1=CC=C(C=C1)C(=NOCCCC(=O)O)C2=CC=CS2","UTRPLBBUWAHEFB-MSUUIHNZSA-N",6368226,NA,"PDBC22312","685415","Present",NA,NA
+"22313","4-(((2,3-Dichloroanilino)carbonyl)amino)phenylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-204103",NA,"C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=CC=C(C=C2)[As](=O)(O)O","WTYVAGJCPVHCHA-UHFFFAOYSA-N",306424,NA,"PDBC22313","204103","Present",NA,NA
+"22314","4-(((2,3-Dimethoxy-6-quinoxalinyl)methyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((2,3-Dimethoxy-6-quinoxalinyl)methyl)amino)benzoic acid",NA,"COC1=NC2=C(C=C(C=C2)CNC3=CC=C(C=C3)C(=O)O)N=C1OC","UFGIJKJWJAUFNM-UHFFFAOYSA-N",379031,NA,"PDBC22314","662793","Present",NA,NA
+"22315","4-(((2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)-2-hydroxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Salicylic acid, 4-[2-(3,4-dihydro-2,4-dioxo-1(2H)-pyrimi...",NA,"C1=CC(=C(C=C1NC(=O)CN2C=CC(=O)NC2=O)O)C(=O)O","CSMIMYLGRREXAC-UHFFFAOYSA-N",261126,NA,"PDBC22315","93033","Present",NA,NA
+"22316","4-(((2,6-Dimethylanilino)carbonyl)amino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-SULFAMOYLPHENYL)-3-(2,6-XYLYL)UREA",NA,"CC1=C(C(=CC=C1)C)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N","BFUVAEAKGNIVMZ-UHFFFAOYSA-N",307727,NA,"PDBC22316","205842","Present",NA,NA
+"22317","4-(((2-Fluoroanilino)carbonyl)amino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((2-Fluoroanilino)carbonyl)amino)benzenesulfonamide",NA,"C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)F","OWWHFDSAOSYTOX-UHFFFAOYSA-N",306968,NA,"PDBC22317","204667","Present",NA,NA
+"22318","4-(((3-Chloro-4-(4-chlorophenoxy)phenyl)imino)methyl)-2-ethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((3-Chloro-4-(4-chlorophenoxy)phenyl)imino)methyl)-2-ethoxyphenol",NA,"CCOC1=C(C=CC(=C1)C=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl)O","QXRDGTMUGPLSKA-UHFFFAOYSA-N",392948,NA,"PDBC22318","694162","Present",NA,NA
+"22319","4-(((4-((4-Carboxyanilino)(diethoxyphosphoryl)methyl)phenyl)(diethoxyphosphoryl)methyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[[4-[(4-Carboxyanilino)-diethoxyphosphorylmethyl]phenyl]-diethoxyphosphorylmethyl]amino]benzoic acid",NA,"CCOP(=O)(C(C1=CC=C(C=C1)C(NC2=CC=C(C=C2)C(=O)O)P(=O)(OCC)OCC)NC3=CC=C(C=C3)C(=O)O)OCC","VUZJCUFHVIDLGZ-UHFFFAOYSA-N",395131,NA,"PDBC22319","699422","Present",NA,NA
+"22320","4-(((4-Methylphenyl)sulfonyl)oxy)phenyl 2-cyano-3-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((4-Methylphenyl)sulfonyl)oxy)phenyl 2-cyano-3-methoxybenzoate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)OC(=O)C3=C(C(=CC=C3)OC)C#N","KWJXPYVOXUDWRS-UHFFFAOYSA-N",383758,NA,"PDBC22320","672200","Present",NA,NA
+"22321","4-(((6-Iodo-2-(2-thienyl)quinazolin-4-yl)amino)methyl)benzen esulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((6-Iodo-2-(2-thienyl)quinazolin-4-yl)amino)methyl)be...",NA,"C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=N2)NCC4=CC=C(C=C4)S(=O)(=O)N","XMFXMTUGJUCEQS-UHFFFAOYSA-N",404800,NA,"PDBC22321","721318","Present",NA,NA
+"22322","4-(((Aminocarbonyl)oxy)imino)-1-benzylpiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((Aminocarbonyl)oxy)imino)-1-benzylpiperidine",NA,"C1CN(CCC1=NOC(=O)N)CC2=CC=CC=C2","OTTJCLRRNYGLSC-UHFFFAOYSA-N",380234,NA,"PDBC22322","665711","Present",NA,NA
+"22323","4-(((Benzyloxy)carbonyl)amino)-5-((1-carboxy-2-(1H-imidazol-4-yl)ethyl)amino)-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((Benzyloxy)carbonyl)amino)-5-((1-carboxy-2-(1H-imidazol-4-yl)ethyl)amino)-5-oxopentanoic acid",NA,"C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)O","BKTLDUAIYORMAO-UHFFFAOYSA-N",381736,NA,"PDBC22323","668596","Present",NA,NA
+"22324","4-(((Cyanoamino)(imino)methyl)amino)-N-(2,6-dimethylphenyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((Cyanoamino)(imino)methyl)amino)-N-(2,6-dimethylphenyl)-4-oxobutanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NC(=NC#N)N","WXCSRSIKIQIWKZ-UHFFFAOYSA-N",135429983,NA,"PDBC22324","630297","Present",NA,NA
+"22325","4-((1,2-Bis(2-chlorophenyl)hydrazino)methyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((1,2-Bis(2-chlorophenyl)hydrazino)methyl)pyridine",NA,"C1=CC=C(C(=C1)NN(CC2=CC=NC=C2)C3=CC=CC=C3Cl)Cl","OEWOKUHPJQNSCI-UHFFFAOYSA-N",283211,NA,"PDBC22325","137578","Present",NA,NA
+"22326","4-((1,3-Thiazol-2-ylamino)sulfonyl)phenylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-12636",NA,"C1=CC(=CC=C1S(=O)(=O)NC2=NC=CS2)[As](=O)(O)O","BOHCOZHNBWFBQC-UHFFFAOYSA-N",224267,NA,"PDBC22326","12636","Present",NA,NA
+"22327","4-((1-((Ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((1-((Ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoic acid",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)C(=O)O","OBYAPSBFZPVRQA-UHFFFAOYSA-N",383559,NA,"PDBC22327","671977","Present",NA,NA
+"22328","4-((1-(1-Adamantylmethyl)-2-methoxy-2-oxoethyl)amino)-3-amino-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((1-(1-Adamantylmethyl)-2-methoxy-2-oxoethyl)amino)-3-amino-4-oxobutanoic acid",NA,"COC(=O)C(CC12CC3CC(C1)CC(C3)C2)NC(=O)C(CC(=O)O)N","QSLZIGAHAQCYFC-UHFFFAOYSA-N",382217,NA,"PDBC22328","669674","Present",NA,NA
+"22329","4-((1-(3-(2-Methoxyanilino)-3-oxopropanoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[1-[3-(2-Methoxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3OC","RNZQNRXGBXKHDZ-UHFFFAOYSA-N",387766,NA,"PDBC22329","681820","Present",NA,NA
+"22330","4-((1-(3-(4-Methoxyanilino)-3-oxopropanoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[1-[3-(4-Methoxyanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=C(C=C3)OC","NAWFPOYOMLERBD-UHFFFAOYSA-N",387768,NA,"PDBC22330","681822","Present",NA,NA
+"22331","4-((1-(3-Anilino-3-oxopropanoyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[1-(3-Anilino-3-oxo-propanoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3","MVQTXYTUVHSXSU-UHFFFAOYSA-N",387759,NA,"PDBC22331","681813","Present",NA,NA
+"22332","4-((1-Adamantylimino)methyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-1-Adamantyl-p-cyanobenzalimine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)C#N","WDYDSKBVZWCQLT-UHFFFAOYSA-N",365174,NA,"PDBC22332","632384","Present",NA,NA
+"22333","4-((1-Carboxy-2-(4-hydroxyphenyl)ethyl)amino)-4-oxo-3-((trifluoroacetyl)amino)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((1-Carboxy-2-(4-hydroxyphenyl)ethyl)amino)-4-oxo-3-((trifluoroacetyl)amino)butanoic acid",NA,"C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(F)(F)F)O","XCSNMNASSJFQBX-UHFFFAOYSA-N",381463,NA,"PDBC22333","668051","Present",NA,NA
+"22334","4-((1-Chloro-4-((4-(2-hydroxyethyl)-1-piperazinyl)carbonyl)-9-acridinyl)amino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[1-Chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO)Cl","OVHIUNRMDHFMQG-UHFFFAOYSA-N",370678,NA,"PDBC22334","644054","Present",NA,NA
+"22335","4-((1-Methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((1-Methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide",NA,"CN1C(=O)C(=CC2=CC=C(C=C2)S(=O)(=O)NN)NC1=O","FBPZAVUNFCTVMH-TWGQIWQCSA-N",5469158,NA,"PDBC22335","683745","Present",NA,NA
+"22336","4-((1E)-2-Pyrazin-2-ylvinyl)-1,2-dimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((1E)-2-Pyrazin-2-ylvinyl)-1,2-dimethoxybenzene",NA,"COC1=C(C=C(C=C1)C=CC2=NC=CN=C2)OC","RENMJUXISBQASN-HWKANZROSA-N",5904717,NA,"PDBC22336","176652","Present",NA,NA
+"22337","4-((1E)-3,3-Dimethyltriaz-1-en-1-yl)-1H-pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrazole-3-carboxamide, 4-(3,3-dimethyl-1-triazeno)- (8ci)",NA,"CN(C)N=NC1=C(NN=C1)C(=O)N","MGWAKKKDJQVXDN-UHFFFAOYSA-N",279946,NA,"PDBC22337","131260","Present",NA,NA
+"22338","4-((1H-Benzimidazol-2-ylthio)acetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((1H-Benzimidazol-2-ylthio)acetyl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4N3","PFQPCYGHPXCKFR-UHFFFAOYSA-N",373867,NA,"PDBC22338","650830","Present",NA,NA
+"22339","4-((1H-Naphtho[2,3-d]imidazol-2-ylmethyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[(1H-naphth-[2,3-d]imidazol-2-ylmethyl)-...",NA,"C1=CC=C2C=C3C(=CC2=C1)NC(=N3)CNC4=CC=C(C=C4)C(=O)O","KMWYWXCIJWCOFD-UHFFFAOYSA-N",246676,NA,"PDBC22339","60043","Present",NA,NA
+"22340","4-((2,2,2-Trifluoro-1-(trifluoromethyl)-1-((3,3,3-trifluoro-2-(trifluoromethyl)propanoyl)amino)ethyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[1,1,1,3,3,3-Hexafluoro-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]propan-2-yl]amino]benzoic acid",NA,"C1=CC(=CC=C1C(=O)O)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","OKAMKKGFQCXYOT-UHFFFAOYSA-N",383670,NA,"PDBC22340","672088","Present",NA,NA
+"22341","4-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2,2-Dibutyl-1,3,2-dioxastannolan-4-yl)methyl)morpholine",NA,"CCCC[Sn]1(OCC(O1)CN2CCOCC2)CCCC","ZGBONOUZBPJZFF-UHFFFAOYSA-N",16683176,NA,"PDBC22341","633511","Present",NA,NA
+"22342","4-((2,3-Dimethoxy-6-quinoxalinyl)methoxy)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2,3-Dimethoxy-6-quinoxalinyl)methoxy)benzoic acid",NA,"COC1=NC2=C(C=C(C=C2)COC3=CC=C(C=C3)C(=O)O)N=C1OC","MILBAILGYRQYOQ-UHFFFAOYSA-N",380871,NA,"PDBC22342","666614","Present",NA,NA
+"22343","4-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N,1-bis(2,4-dichlorophenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-N,1-Bis(2,4-dichlorophenyl)-4-[(2,4-dinitrophenyl)hydrazinylidene]-2,5-dioxopyrrolidine-3-carboxamide",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C2C(C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=C(C=C(C=C4)Cl)Cl","DMQIPHMCLKPLMT-COEJQBHMSA-N",9569988,NA,"PDBC22343","630316","Present",NA,NA
+"22344","4-((2,4-Bis(hydroxy(oxido)amino)phenyl)hydrazono)-N-(3,4-dimethylphenyl)-7,7-dimethyl-6-oxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2,4-dinitrophenyl)hydrazono)-N-(3,4  dimethylpheny...",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C(C)(C)C)C","NIPPLOVLPVYPFT-NLRVBDNBSA-N",6150012,NA,"PDBC22344","631689","Present",NA,NA
+"22345","4-((2,4-Dichlorobenzyl)thio)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2,4-Dichlorobenzyl)thio)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-ylamine",NA,"CC1=CC(=NC2=C1C(=NC(=N2)N)SCC3=C(C=C(C=C3)Cl)Cl)C","DKPSMHAGCCPLMX-UHFFFAOYSA-N",242225,NA,"PDBC22345","50567","Present",NA,NA
+"22346","4-((2,4-Dichlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2,4-Dichlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone",NA,"CC1C(C(=O)ON1)N=NC2=C(C=C(C=C2)Cl)Cl","AVCZFBKFYDUHAM-UHFFFAOYSA-N",367455,NA,"PDBC22346","637183","Present",NA,NA
+"22347","4-((2,4-Dimethylanilino)acetyl)-3,4-dihydro-2(1H)-quinoxalinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(2,4-Dimethylanilino)acetyl]-1,3-dihydroquinoxalin-2-one",NA,"CC1=CC(=C(C=C1)NCC(=O)N2CC(=O)NC3=CC=CC=C32)C","JWJYINHAWWEPLF-UHFFFAOYSA-N",374861,NA,"PDBC22347","653321","Present",NA,NA
+"22348","4-((2,5-Dihydroxybenzyl)amino)-N,N-diisopropylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diisopropylbenzamide, 4-[[(2,5-dihydroxyphenyl)-meth...",NA,"CC(C)N(C(C)C)C(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","PDFWKEASESLRHH-UHFFFAOYSA-N",391016,NA,"PDBC22348","689431","Present",NA,NA
+"22349","4-((2,5-Dimethoxybenzyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[(2,5-dimethoxyphenyl)methyl]amino]-",NA,"COC1=CC(=C(C=C1)OC)CNC2=CC=C(C=C2)C(=O)O","GXEGUWVLBXZOKU-UHFFFAOYSA-N",385439,NA,"PDBC22349","676622","Present",NA,NA
+"22350","4-((2,5-Dioxo-4-imidazolidinylidene)methyl)-N'-(4-methoxybenzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2,5-Dioxo-4-imidazolidinylidene)methyl)-N'-(4-methoxybenzylidene)benzenesulfonohydrazide",NA,"COC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)C=C3C(=O)NC(=O)N3","DAUAXAKXSKTQFO-WJEOPBEZSA-N",9571573,NA,"PDBC22350","683748","Present",NA,NA
+"22351","4-((2,5-Dioxo-4-imidazolidinylidene)methyl)-N'-(4-methylbenzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2,5-Dioxo-4-imidazolidinylidene)methyl)-N'-(4-methylbenzylidene)benzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)C=C3C(=O)NC(=O)N3","OHKPPPYXURFUCD-WJEOPBEZSA-N",9571575,NA,"PDBC22351","683750","Present",NA,NA
+"22352","4-((2,6-Dihydroxy-7H-purin-8-yl)diazenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2,6-Dihydroxy-7H-purin-8-yl)diazenyl)benzenesulfonamide",NA,"C1=CC(=CC=C1N=NC2=NC3=C(N2)C(=O)NC(=O)N3)S(=O)(=O)N","WRIWGGIOJCHIRO-UHFFFAOYSA-N",3246288,NA,"PDBC22352","77393","Present",NA,NA
+"22353","4-((2-(1-Adamantyloxy)-1-methyl-2-oxoethyl)amino)-3-amino-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-(1-Adamantyloxy)-1-methyl-2-oxoethyl)amino)-3-amino-4-oxobutanoic acid",NA,"CC(C(=O)OC12CC3CC(C1)CC(C3)C2)NC(=O)C(CC(=O)O)N","IUYZAAQRKMUTJR-UHFFFAOYSA-N",382218,NA,"PDBC22353","669675","Present",NA,NA
+"22354","4-((2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)carbonyl)-9-oxo-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)carbonyl)-9-oxo-9,10-dihydroacridine",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","ROHKAUFCCOHTQC-UHFFFAOYSA-N",385778,NA,"PDBC22354","677172","Present",NA,NA
+"22355","4-((2-(Acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-(Acetylamino)-9H-fluoren-9-ylidene)amino)benzoic acid",NA,"CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)C(=O)O","GWEBVBWBASDHFZ-UHFFFAOYSA-N",229459,NA,"PDBC22355","23173","Present",NA,NA
+"22356","4-((2-Amino-4-pyrimidinyl)amino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC135784",NA,"C1=CC(=CC=C1NC2=NC(=NC=C2)N)S(=O)(=O)N","QOAXQANKSMHFKJ-UHFFFAOYSA-N",31036,NA,"PDBC22356","135784","Present",NA,NA
+"22357","4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-Amino-8-methyl-5,6,7,8-tetrahydro-4-quinazolinyl)methyl)-2,6-piperidinedione",NA,"CC1CCCC2=C(N=C(N=C12)N)CC3CC(=O)NC(=O)C3","OIEQXIBBHRIICG-UHFFFAOYSA-N",278295,NA,"PDBC22357","127712","Present",NA,NA
+"22358","4-((2-Bromo-4-methylphenyl)diazenyl)-3,5-dimethyl-1-phenyl-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-Bromo-4-methylphenyl)diazenyl)-3,5-dimethyl-1-phenyl-1H-pyrazole",NA,"CC1=CC(=C(C=C1)N=NC2=C(N(N=C2C)C3=CC=CC=C3)C)Br","ZDMWRDQRZLBBSX-UHFFFAOYSA-N",364151,NA,"PDBC22358","629823","Present",NA,NA
+"22359","4-((2-Bromo-4-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-Bromo-4-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole",NA,"CC1=CC(=C(C=C1)N=NC2=C(N(N=C2C)C3=CC=CC=C3)C4=CC=CC=C4)Br","LYXHSOROIZVADN-UHFFFAOYSA-N",364152,NA,"PDBC22359","629824","Present",NA,NA
+"22360","4-((2-Bromophenyl)diazenyl)-3-methyl-5-isoxazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-Bromophenyl)diazenyl)-3-methyl-5-isoxazolidinone",NA,"CC1C(C(=O)ON1)N=NC2=CC=CC=C2Br","IWOPRWHVJRLWBC-UHFFFAOYSA-N",367463,NA,"PDBC22360","637192","Present",NA,NA
+"22361","4-((2-Chlorobenzyl)thio)-1H-imidazo[4,5-d]pyridazine-7-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-Chlorobenzyl)thio)-1H-imidazo[4,5-d]pyridazine-7-thiol",NA,"C1=CC=C(C(=C1)CSC2=NNC(=S)C3=C2NC=N3)Cl","FYVMPAXUGAZBIO-UHFFFAOYSA-N",135403631,NA,"PDBC22361","62406","Present",NA,NA
+"22362","4-((2-Chlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-Chlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone",NA,"CC1C(C(=O)ON1)N=NC2=CC=CC=C2Cl","CLSANRCUPZHXGH-UHFFFAOYSA-N",367464,NA,"PDBC22362","637193","Present",NA,NA
+"22363","4-((2-Hydroxy-3-pyridinyl)diazenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-Hydroxy-3-pyridinyl)diazenyl)benzenesulfonamide",NA,"C1=CNC(=O)C(=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N","YMXPGZWXEOXPLM-UHFFFAOYSA-N",281413,NA,"PDBC22363","134196","Present",NA,NA
+"22364","4-((2-Hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-Hydroxybenzylidene)amino)-2-isopropyl-5-methylphenol",NA,"CC1=CC(=C(C=C1N=CC2=CC=CC=C2O)C(C)C)O","HYTXEOFJVZEFSX-UHFFFAOYSA-N",232780,NA,"PDBC22364","30712","Present",NA,NA
+"22365","4-((2-Hydroxypropyl)amino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-Hydroxypropyl)amino)-1,2-naphthalenedione",NA,"CC(CNC1=CC(=O)C(=O)C2=CC=CC=C21)O","NEAPGCVGHZAKJS-UHFFFAOYSA-N",377054,NA,"PDBC22365","658270","Present",NA,NA
+"22366","4-((2-Methyl-4-quinolinyl)amino)benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2-Methylquinolin-4-yl)amino]benzenesulfonic acid",NA,"CC1=NC2=CC=CC=C2C(=C1)NC3=CC=C(C=C3)S(=O)(=O)O","BDWBGEXPAWOYGW-UHFFFAOYSA-N",388377,NA,"PDBC22366","683269","Present",NA,NA
+"22367","4-((3,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline",NA,"COC1=C(C=C2C(=C1)C(=CN=N2)SCC3=CC(=C(C=C3)Cl)Cl)OC","KYOLURBOMPBIKI-UHFFFAOYSA-N",248182,NA,"PDBC22367","64814","Present",NA,NA
+"22368","4-((3,4-Dihydroxyphenyl)diazenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dihydroxy-phenylazo)-benzenesulfonamide",NA,"C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)O)S(=O)(=O)N","OVFNJGSXFVWDJP-UHFFFAOYSA-N",404196,NA,"PDBC22368","720347","Present",NA,NA
+"22369","4-((3-((3-Aminobenzoyl)amino)-4-methylbenzoyl)amino)benzylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-((3-Aminobenzoyl)amino)-4-methylbenzoyl)amino)benzylphosphonic acid",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)NC(=O)C3=CC(=CC=C3)N","WDBCDDOIZBYXJE-UHFFFAOYSA-N",388392,NA,"PDBC22369","683277","Present",NA,NA
+"22370","4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)O)C4=CC=CS4","KGKGVKCWIMOIFH-UHFFFAOYSA-N",384947,NA,"PDBC22370","675771","Present",NA,NA
+"22371","4-((3-(Hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-(Hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide",NA,"COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)[N+](=O)[O-]","RXMBUEYOXKGTMD-UHFFFAOYSA-N",391139,NA,"PDBC22371","689865","Present",NA,NA
+"22372","4-((3-Acetyl-2-oxotetrahydro-3-furanyl)diazenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-Acetyl-2-oxotetrahydro-3-furanyl)diazenyl)benzenesulfonamide",NA,"CC(=O)C1(CCOC1=O)N=NC2=CC=C(C=C2)S(=O)(=O)N","GSDDFQLDOSXWCA-UHFFFAOYSA-N",281344,NA,"PDBC22372","134120","Present",NA,NA
+"22373","4-((3-Chloro-2-phenyl-6-quinoxalinyl)methoxy)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Chloro-2-phenylquinoxalin-6-yl)methoxy]benzonitrile",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)COC4=CC=C(C=C4)C#N)N=C2Cl","BDWONQPZEDXSSS-UHFFFAOYSA-N",392816,NA,"PDBC22373","693772","Present",NA,NA
+"22374","4-((3-Chlorobenzyl)oxy)-N-hydroxy-N-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-Chlorobenzyl)oxy)-N-hydroxy-N-methylbenzamide",NA,"CN(C(=O)C1=CC=C(C=C1)OCC2=CC(=CC=C2)Cl)O","FABYPRVSADJAIE-UHFFFAOYSA-N",392395,NA,"PDBC22374","692759","Present",NA,NA
+"22375","4-((3-Chlorobenzyl)oxy)-N-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-Chlorobenzyl)oxy)-N-hydroxybenzamide",NA,"C1=CC(=CC(=C1)Cl)COC2=CC=C(C=C2)C(=O)NO","IWGWEPJFTRRPKL-UHFFFAOYSA-N",392397,NA,"PDBC22375","692761","Present",NA,NA
+"22376","4-((3-Chlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-Chlorophenyl)diazenyl)-3-methyl-5-isoxazolidinone",NA,"CC1C(C(=O)ON1)N=NC2=CC(=CC=C2)Cl","IHDMFEMOJNFNTD-UHFFFAOYSA-N",367456,NA,"PDBC22376","637184","Present",NA,NA
+"22377","4-((3-Chlorophenylimino)methyl)-N, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-chlorophenylimino)methyl)-N,N-bis-(3-chloropropyl)...",NA,"CC1=C(C=CC(=C1)N(CCCCl)CCCCl)C=NC2=CC(=CC=C2)Cl.Cl","SQBYINFHSFGZQP-UHFFFAOYSA-N",24193640,NA,"PDBC22377","154896","Present",NA,NA
+"22378","4-((3-Hydrazino-3-oxopropanoyl)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-Hydrazino-3-oxopropanoyl)amino)benzoic acid",NA,"C1=CC(=CC=C1C(=O)O)NC(=O)CC(=O)NN","PWNDVCGSRGYOLJ-UHFFFAOYSA-N",385917,NA,"PDBC22378","677379","Present",NA,NA
+"22379","4-((3-Hydroxy-2-pyridinyl)diazenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-Hydroxy-2-pyridinyl)diazenyl)benzenesulfonamide",NA,"C1=CC(=C(N=C1)N=NC2=CC=C(C=C2)S(=O)(=O)N)O","NXIPTBOTZGWDOZ-UHFFFAOYSA-N",281366,NA,"PDBC22379","134149","Present",NA,NA
+"22380","4-((3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-Phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoic acid",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)C(=O)O","BLQPLDUJPUDTFQ-UHFFFAOYSA-N",387370,NA,"PDBC22380","681122","Present",NA,NA
+"22381","4-((3-Quinolinylmethyl)amino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-Quinolinylmethyl)amino)benzenesulfonamide",NA,"C1=CC=C2C(=C1)C=C(C=N2)CNC3=CC=C(C=C3)S(=O)(=O)N","QOKXTFFZAZKIAD-UHFFFAOYSA-N",182334,NA,"PDBC22381","299209","Present",NA,NA
+"22382","4-((4,5-Dihydroxy-8-(hydroxy(oxido)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)-N,N-dimethylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4,5-Dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]-N,N-dimethylbenzenesulfonamide",NA,"CN(C)S(=O)(=O)C1=CC=C(C=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O","BBBZZDRRJUPEIV-UHFFFAOYSA-N",3246414,NA,"PDBC22382","117949","Present",NA,NA
+"22383","4-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, N-[4-[[(4-carboxypheny)imino]methyl]...",NA,"CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=NC3=CC=C(C=C3)C(=O)O","AAFNJGNFRKFZGE-UHFFFAOYSA-N",369351,NA,"PDBC22383","641106","Present",NA,NA
+"22384","4-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)benzylidene)amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((4-((2-Cyanoethyl)(phenylsulfonyl)amino)benzylidene)amino)benzoic acid",NA,"C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)O","VERQGKLAGGRWOM-UHFFFAOYSA-N",372594,NA,"PDBC22384","647955","Present",NA,NA
+"22385","4-((4-(Aminocarbonyl)benzoyl)amino)phenylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-12666",NA,"C1=CC(=CC=C1C(=O)N)C(=O)NC2=CC=C(C=C2)[As](=O)(O)O","HYSIWANWWUGRIT-UHFFFAOYSA-N",224295,NA,"PDBC22385","12666","Present",NA,NA
+"22386","4-((4-(Aminosulfonyl)phenyl)diazenyl)-3-hydroxy-2-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthoic acid, 3-hydroxy-4-[(p-sulfamoylphenyl)azo]-",NA,"C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)C(=O)O","NBQJKNSAKITVLO-UHFFFAOYSA-N",281355,NA,"PDBC22386","134137","Present",NA,NA
+"22387","4-((4-(Bis(2-cyanoethyl)amino)(5-bromo-2-hydroxybenzoyl)-2-methoxybenzohydrazonoyl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(Z)-C-[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-N-[(5-bromo-2-hydroxybenzoyl)amino]carbonimidoyl]diazenyl]benzoic acid",NA,"COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Br)O)N=NC3=CC=C(C=C3)C(=O)O","VPWRLQMFARGJGI-FMNFIABWSA-N",135493976,NA,"PDBC22387","685924","Present",NA,NA
+"22388","4-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)diazenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Sulphoamido-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) ...",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)S(=O)(=O)N","FTAOJLOEGLMPDI-UHFFFAOYSA-N",365298,NA,"PDBC22388","632849","Present",NA,NA
+"22389","4-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)diazenyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Carboxy-(2'-methyl-4'N,N-bis-2'-cyanoethylamino)azoben...",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)C(=O)O","CWLNIMBEUSXFMH-UHFFFAOYSA-N",365293,NA,"PDBC22389","632844","Present",NA,NA
+"22390","4-((4-Amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-6-(2-chlorophenyl)-N-(4-methoxyphenyl)-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]-6-(2-chlorophenyl)-N-(4-methoxyphenyl)-6-oxohexanamide",NA,"CC1=NN=C(N1N)NN=C(CCC(=O)NC2=CC=C(C=C2)OC)CC(=O)C3=CC=CC=C3Cl","FNEHDOOYTYSNPD-JVWAILMASA-N",6057490,NA,"PDBC22390","631686","Present",NA,NA
+"22391","4-((4-Amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-N-(2,4-dichlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]-N-(2,4-dichlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide",NA,"CC1=NN=C(N1N)NN=C(CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)CC(=O)C3=CC(=C(C=C3)O)OC","LDSAQOQBACXQAQ-RWPZCVJISA-N",6286846,NA,"PDBC22391","630302","Present",NA,NA
+"22392","4-((4-Amino-6-hydroxy-2-mercapto-5-pyrimidinyl)diazenyl)-3,5-dibromobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((4-Amino-6-hydroxy-2-mercapto-5-pyrimidinyl)diazenyl)-3,5-dibromobenzenesulfonamide",NA,"C1=C(C=C(C(=C1Br)N=NC2=C(NC(=S)NC2=O)N)Br)S(=O)(=O)N","UHWWJOWAVGOCRB-UHFFFAOYSA-N",3246398,NA,"PDBC22392","114359","Present",NA,NA
+"22393","4-((4-Bromo-2-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((4-Bromo-2-methylphenyl)diazenyl)-3-methyl-1,5-diphenyl-1H-pyrazole",NA,"CC1=C(C=CC(=C1)Br)N=NC2=C(N(N=C2C)C3=CC=CC=C3)C4=CC=CC=C4","IVGFWIIFCPOGME-UHFFFAOYSA-N",364149,NA,"PDBC22393","629821","Present",NA,NA
+"22394","4-((4-Bromo-2-methylphenyl)diazenyl)-3-phenyl-5(4H)-isoxazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((4-Bromo-2-methylphenyl)diazenyl)-3-phenyl-5(4H)-isoxazolone",NA,"CC1=C(C=CC(=C1)Br)N=NC2C(=NOC2=O)C3=CC=CC=C3","MOCJTSKVZMZMJA-UHFFFAOYSA-N",364154,NA,"PDBC22394","629826","Present",NA,NA
+"22395","4-((4-Bromo-2-methylphenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((4-Bromo-2-methylphenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",NA,"CC1=C(C=CC(=C1)Br)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C","GSDKTCSKXQROLH-UHFFFAOYSA-N",364153,NA,"PDBC22395","629825","Present",NA,NA
+"22396","4-((4-Bromo-3-methylphenyl)diazenyl)-3-methyl-5(4H)-isoxazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((4-Bromo-3-methylphenyl)diazenyl)-3-methyl-5(4H)-isoxazolone",NA,"CC1=C(C=CC(=C1)N=NC2C(=NOC2=O)C)Br","KMLTVXVRZISDRD-UHFFFAOYSA-N",364156,NA,"PDBC22396","629828","Present",NA,NA
+"22397","4-((4-Bromo-3-methylphenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((4-Bromo-3-methylphenyl)diazenyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",NA,"CC1=C(C=CC(=C1)N=NC2C(=NN(C2=O)C3=CC=CC=C3)C)Br","DUABPBDFSQYQAF-UHFFFAOYSA-N",364155,NA,"PDBC22397","629827","Present",NA,NA
+"22398","4-((4-Hydroxy-5-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(8-hydroxy-1-oxo-tetralin-5-yl)oxy-4-oxo-butanoic acid",NA,"C1CC2=C(C=CC(=C2C(=O)C1)O)OC(=O)CCC(=O)O","UQLBWCXNGFQJRR-UHFFFAOYSA-N",357436,NA,"PDBC22398","616264","Present",NA,NA
+"22399","4-((4-Hydroxyphenyl)diazenyl)phenylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-12650",NA,"C1=CC(=CC=C1N=NC2=CC=C(C=C2)[As](=O)(O)O)O","DJCIIHFJCDJYHI-UHFFFAOYSA-N",224279,NA,"PDBC22399","12650","Present",NA,NA
+"22400","4-((4-Nitrophenyl)amino)naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC117017",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)[N+](=O)[O-]","WLVJOAGYONSXGC-UHFFFAOYSA-N",272561,NA,"PDBC22400","117017","Present",NA,NA
+"22401","4-((5-Methyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((5-Methyl-1-phenyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-2,6-piperidinedione",NA,"CC1CCC2=C(C1)C(=NN2C3=CC=CC=C3)CC4CC(=O)NC(=O)C4","PMXKFZZRRJFOJT-UHFFFAOYSA-N",278296,NA,"PDBC22401","127713","Present",NA,NA
+"22402","4-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-2-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)methyl)-2-methoxyphenol",NA,"CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)OC)OC)OC","SSBPHQDXIDTEDU-UHFFFAOYSA-N",371188,NA,"PDBC22402","645242","Present",NA,NA
+"22403","4-((6-(Hydroxy(oxido)amino)-2-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((6-(Hydroxy(oxido)amino)-2-methoxy-9-acridinyl)amino)-N-(2-pyrimidinyl)benzenesulfonamide",NA,"COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5","KYEJPEAMBFHDNY-UHFFFAOYSA-N",391144,NA,"PDBC22403","689870","Present",NA,NA
+"22404","4-((6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)diazenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, p-[(6-amino-1,2,3,4-tetrahydro-1,3-d...",NA,"CN1C(=C(C(=O)N(C1=O)C)N=NC2=CC=C(C=C2)S(=O)(=O)N)N","DXHQOEXYYLJONN-UHFFFAOYSA-N",271063,NA,"PDBC22404","114449","Present",NA,NA
+"22405","4-((6-Chloro-2-methoxy-9-acridinyl)thio)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((6-Chloro-2-methoxy-9-acridinyl)thio)aniline",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)SC4=CC=C(C=C4)N","DKBCHQPZEVLSDX-UHFFFAOYSA-N",371143,NA,"PDBC22405","645147","Present",NA,NA
+"22406","4-((6-Chloro-9H-purin-2-yl)amino)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((6-Chloro-9H-purin-2-yl)amino)phenol",NA,"C1=CC(=CC=C1NC2=NC3=C(C(=N2)Cl)NC=N3)O","YKZJRZHFOPGGBJ-UHFFFAOYSA-N",5466205,NA,"PDBC22406","681688","Present",NA,NA
+"22407","4-((6-Hydroxy-9H-purin-2-yl)amino)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((6-Hydroxy-9H-purin-2-yl)amino)benzonitrile",NA,"C1=CC(=CC=C1C#N)NC2=NC3=C(C(=O)N2)NC=N3","OKQIYMUIKADXMC-UHFFFAOYSA-N",135440028,NA,"PDBC22407","685823","Present",NA,NA
+"22408","4-((6-Mercapto-9H-purin-8-yl)diazenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, 4-[(6,7-dihydro-6-thioxo-1H-purin-8-...",NA,"C1=CC(=CC=C1N=NC2=NC3=C(N2)C(=S)N=CN3)S(=O)(=O)N","KECAPWAPGSULDL-UHFFFAOYSA-N",3246283,NA,"PDBC22408","75140","Present",NA,NA
+"22409","4-((7-Methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((7-Methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methyl)-2,6-piperidinedione",NA,"CC1CCCC2=C(NN=C12)CC3CC(=O)NC(=O)C3","PRPVPBHBDREMBJ-UHFFFAOYSA-N",359834,NA,"PDBC22409","621401","Present",NA,NA
+"22410","4-((9H-Purin-6-ylthio)methyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((9H-Purin-6-ylthio)methyl)benzonitrile",NA,"C1=CC(=CC=C1CSC2=NC=NC3=C2NC=N3)C#N","OBWUGPIEJGQXCJ-UHFFFAOYSA-N",386903,NA,"PDBC22410","679803","Present",NA,NA
+"22411","4-((Acetyloxy)amino)-2,2,6,6-tetramethyl-3,5-heptanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Acetyloxy)amino)-2,2,6,6-tetramethyl-3,5-heptanedione",NA,"CC(=O)ONC(C(=O)C(C)(C)C)C(=O)C(C)(C)C","ZSADFVGZRUFVLY-UHFFFAOYSA-N",389080,NA,"PDBC22411","684730","Present",NA,NA
+"22412","4-((Amino(oxo)acetyl)hydrazono)-N-(2,4-dichlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Amino(oxo)acetyl)hydrazono)-N-(2,4-dichlorophenyl)-6-(4-hydroxy-3-methoxyphenyl)-6-oxohexanamide",NA,"COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)C(=O)N)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)O","OGKLSMDPWRITTR-LGJNPRDNSA-N",9569989,NA,"PDBC22412","630317","Present",NA,NA
+"22413","4-((Amino(oxo)acetyl)hydrazono)-N-(4-methoxyphenyl)-7,7-dimethyl-6-oxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Amino(oxo)acetyl)hydrazono)-N-(4-methoxyphenyl)-7,7-dimethyl-6-oxooctanamide",NA,"CC(C)(C)C(=O)CC(=NNC(=O)C(=O)N)CCC(=O)NC1=CC=C(C=C1)OC","GXWHSIVQDVLJBX-LPYMAVHISA-N",6516389,NA,"PDBC22413","631685","Present",NA,NA
+"22414","4-((Aminocarbonyl)amino)-N-(3-((4-((aminocarbonyl)amino)benzoyl)amino)propyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbonyl)amino)-N-(3-((4-((aminocarbonyl)amino)benzoyl)amino)propyl)benzamide",NA,"C1=CC(=CC=C1C(=O)NCCCNC(=O)C2=CC=C(C=C2)NC(=O)N)NC(=O)N","VOGYMQPVCNMMCH-UHFFFAOYSA-N",387005,NA,"PDBC22414","680318","Present",NA,NA
+"22415","4-((Aminocarbonyl)hydrazono)-N,1-bis(2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbonyl)hydrazono)-N,1-bis(2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2C(=NNC(=O)N)C(=O)N(C2=O)C3=CC=CC=C3C","WUXOSWOZTOAZIG-KQWNVCNZSA-N",9569997,NA,"PDBC22415","630903","Present",NA,NA
+"22416","4-((Aminocarbonyl)hydrazono)-N,1-bis(3,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbonyl)hydrazono)-N,1-bis(3,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"CC1=C(C=C(C=C1)NC(=O)C2C(=NNC(=O)N)C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)C","ZWWXPVJTVNPBJW-BWAHOGKJSA-N",9569909,NA,"PDBC22416","623896","Present",NA,NA
+"22417","4-((Aminocarbonyl)hydrazono)-N,1-bis(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbonyl)hydrazono)-N,1-bis(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"COC1=CC=C(C=C1)NC(=O)C2C(=NNC(=O)N)C(=O)N(C2=O)C3=CC=C(C=C3)OC","JIGGDPJDKJWVBD-KQWNVCNZSA-N",5930570,NA,"PDBC22417","630914","Present",NA,NA
+"22418","4-((Aminocarbonyl)hydrazono)-N,N-dibenzyl-6-(4-fluorophenyl)-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbonyl)hydrazono)-N,N-dibenzyl-6-(4-fluorophenyl)-6-oxohexanamide",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=NNC(=O)N)CC(=O)C3=CC=C(C=C3)F","KSMKNULLWPJLSH-BGABXYSRSA-N",6063666,NA,"PDBC22418","631678","Present",NA,NA
+"22419","4-((Aminocarbonyl)hydrazono)-N,N-dibenzyl-6-oxododecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbonyl)hydrazono)-N,N-dibenzyl-6-oxododecanamide",NA,"CCCCCCC(=O)CC(=NNC(=O)N)CCC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2","VLDFLGIQZPTSMN-OLFWJLLRSA-N",5853060,NA,"PDBC22419","630359","Present",NA,NA
+"22420","4-((Aminocarbothioyl)hydrazono)-2,5-dioxo-N,1-bis(2-phenylethyl)-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbothioyl)hydrazono)-2,5-dioxo-N,1-bis(2-phenylethyl)-3-pyrrolidinecarboxamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)CCC3=CC=CC=C3","OLWWNXZUDMFEQE-BWAHOGKJSA-N",5902478,NA,"PDBC22420","630909","Present",NA,NA
+"22421","4-((Aminocarbothioyl)hydrazono)-6-(2-furyl)-N-(2-(hydroxy(oxido)amino)phenyl)-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbothioyl)hydrazono)-6-(2-furyl)-N-(2-(hydroxy(oxido)amino)phenyl)-6-oxohexanamide",NA,"C1=CC=C(C(=C1)NC(=O)CCC(=NNC(=S)N)CC(=O)C2=CC=CO2)[N+](=O)[O-]","BZTJGALBCUPEED-RGVLZGJSSA-N",9569982,NA,"PDBC22421","630305","Present",NA,NA
+"22422","4-((Aminocarbothioyl)hydrazono)-N,1-bis(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbothioyl)hydrazono)-N,1-bis(2,6-dimethylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=C(C=CC=C3C)C","IGFALKNNOCNHBX-UQQQWYQISA-N",5903903,NA,"PDBC22422","630895","Present",NA,NA
+"22423","4-((Aminocarbothioyl)hydrazono)-N,1-bis(3-(hydroxy(oxido)amino)phenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-[(Aminocarbothioyl)hydrazono]-N,1-bis(3-nitrophenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-]","YIHDQTGXWLBMOO-STZFKDTASA-N",9569905,NA,"PDBC22423","623868","Present",NA,NA
+"22424","4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-chloro-2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C","MBJQXDBYLCCINT-XYGWBWBKSA-N",9569995,NA,"PDBC22424","630901","Present",NA,NA
+"22425","4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbothioyl)hydrazono)-N,1-bis(4-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"CC1=CC=C(C=C1)NC(=O)C2C(=NNC(=S)N)C(=O)N(C2=O)C3=CC=C(C=C3)C","DBNCGPLWFGPRTN-KQWNVCNZSA-N",5883893,NA,"PDBC22425","630906","Present",NA,NA
+"22426","4-((Aminocarbothioyl)hydrazono)-N-(2,4-bis(hydroxy(oxido)amino)phenyl)-4H-chromene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Aminocarbothioyl)hydrazono)-N-(2,4-bis(hydroxy(oxido)amino)phenyl)-4H-chromene-2-carboxamide",NA,"C1=CC=C2C(=C1)C(=NNC(=S)N)C=C(O2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","IGLKURBYXLZBCL-UDWIEESQSA-N",9554733,NA,"PDBC22426","649809","Present",NA,NA
+"22427","4-((Benzylamino)methyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv2_003026",NA,"C1=CC=C(C=C1)CNCC2=CC=C(C=C2)C(=O)O","XRCNKDDGDMDMDE-UHFFFAOYSA-N",275548,NA,"PDBC22427","122451","Present",NA,NA
+"22428","4-((Diethoxyphosphoryl)amino)-1,1'-biphenyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Diethoxyphosphoryl)amino)-1,1'-biphenyl",NA,"CCOP(=O)(NC1=CC=C(C=C1)C2=CC=CC=C2)OCC","OAEVRKKYFIHSQK-UHFFFAOYSA-N",392913,NA,"PDBC22428","694096","Present",NA,NA
+"22429","4-((Diisopropylamino)carbonyl)-1-cubanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Diisopropylamino)carbonyl)-1-cubanecarboxylic acid",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)O","NVFUHHQMNIDEPB-UHFFFAOYSA-N",369201,NA,"PDBC22429","640907","Present",NA,NA
+"22430","4-((Diisopropylamino)carbonyl)-6-iodo-1,3-cubanedicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Diisopropylamino)carbonyl)-6-iodo-1,3-cubanedicarboxylic acid",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C2C3(C45C(=O)O)I)C(=O)O","ROJQONFGDNYZSI-UHFFFAOYSA-N",369206,NA,"PDBC22430","640912","Present",NA,NA
+"22431","4-(1,1-Dimethyl-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazol-4(5H)-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,1-Dimethyl-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazol-4(5H)-yl)benzenesulfonamide",NA,"CC1(C2=NC3=CC=CC=C3N2CN(CO1)C4=CC=C(C=C4)S(=O)(=O)N)C","WJILRHLBHDDLRJ-UHFFFAOYSA-N",374206,NA,"PDBC22431","651696","Present",NA,NA
+"22432","4-(1,2,3,4-Tetrahydrobenzo[a]phenanthridin-5-yl)benzene-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,2,3,4-Tetrahydrobenzo[a]phenanthridin-5-yl)benzene-1,3-diol",NA,"C1CCC2=C(C1)C3=C(C=CC4=CC=CC=C43)N=C2C5=C(C=C(C=C5)O)O","YAXPLWTXMPAXSU-UHFFFAOYSA-N",394740,NA,"PDBC22432","698408","Present",NA,NA
+"22433","4-(1,2,3,4-Tetrahydroxybutyl)piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677665///NSC677668",NA,"C1C(CC(=O)NC1=O)C(C(C(CO)O)O)O","QXECCEVHROGAOH-UHFFFAOYSA-N",386080,NA,"PDBC22433","677665///677668","Present",NA,NA
+"22434","4-(1,2,3,4-Tetrakis(benzyloxy)butyl)-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677664///NSC677667",NA,"C1C(CC(=O)NC1=O)C(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","ZVKXMOKDCZLKIW-UHFFFAOYSA-N",386079,NA,"PDBC22434","677664///677667","Present",NA,NA
+"22435","4-(1,2-Bis(benzyloxy)ethyl)-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,2-Bis(benzyloxy)ethyl)-2,6-piperidinedione",NA,"C1C(CC(=O)NC1=O)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3","GNUPHLQTBKINMV-UHFFFAOYSA-N",386088,NA,"PDBC22435","677678","Present",NA,NA
+"22436","4-(1,2-Dihydroxyethyl)-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,2-Dihydroxyethyl)-2,6-piperidinedione",NA,"C1C(CC(=O)NC1=O)C(CO)O","JIYCVPXSPSMQIH-UHFFFAOYSA-N",386089,NA,"PDBC22436","677679","Present",NA,NA
+"22437","4-(1,3-Benzodioxol-4-yl)-2-methyl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-4-yl)-2-methyl-2,3-dihydro-1,5-benzothiazepine",NA,"CC1CC(=NC2=CC=CC=C2S1)C3=C4C(=CC=C3)OCO4","SPSVYADIXWPJQH-UHFFFAOYSA-N",367035,NA,"PDBC22437","636363","Present",NA,NA
+"22438","4-(1,3-Benzodioxol-4-yl)-N~3~,N~5~-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-4-yl)-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=C4C(=CC=C3)OCO4)C(=O)NC5=CC=CC=C5OC","DAHDJDTZQFRJDS-UHFFFAOYSA-N",361063,NA,"PDBC22438","623867","Present",NA,NA
+"22439","4-(1,3-Benzodioxol-5-yl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-yl)-2,6-dimethyl-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC(=C(C=C5F)F)F","WOIGHCNENHPUER-UHFFFAOYSA-N",367673,NA,"PDBC22439","637604","Present",NA,NA
+"22440","4-(1,3-Benzodioxol-5-yl)-2-(3,4-dimethoxyphenyl)-4H-pyrano[3,2-c]chromen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrano[3,2-c]benzopyran-5-one, 4-(1,3-benzodioxol-5-yl)-...",NA,"COC1=C(C=C(C=C1)C2=CC(C3=C(O2)C4=CC=CC=C4OC3=O)C5=CC6=C(C=C5)OCO6)OC","YVZUMPZSJNLBMY-UHFFFAOYSA-N",309279,NA,"PDBC22440","211488","Present",NA,NA
+"22441","4-(1,3-Benzodioxol-5-yl)-5-(3,5-dimethoxyphenyl)-2H-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(benzo[d][1,3]dioxol-5-yl)-4-(3,5-dimethoxyphenyl)-1H-...",NA,"COC1=CC(=CC(=C1)C2=NNN=C2C3=CC4=C(C=C3)OCO4)OC","SZDNLNLPYHUBIA-UHFFFAOYSA-N",155816235,NA,"PDBC22441","777408","Present",NA,NA
+"22442","4-(1,3-Benzodioxol-5-yl)-6-hydroxy-1-oxo-1,3-dihydronaphtho[2,3-c]furan-5-yl hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-yl)-6-hydroxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-benzo[f][2]benzofuran-1-one",NA,"C1C2=C(C=C3C=CC(=C(C3=C2C4=CC5=C(C=C4)OCO5)OC6C(C(C(C(O6)CO)O)O)O)O)C(=O)O1","TXLXNBLWYBIYQL-UHFFFAOYSA-N",370651,NA,"PDBC22442","644013","Present",NA,NA
+"22443","4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2,6-diethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2,6-diethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C=CC=C5CC)CC)C)C","ZVVOMBAWANTFHC-UHFFFAOYSA-N",372009,NA,"PDBC22443","646825","Present",NA,NA
+"22444","4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C=CC=C5C)C)C)C","ACLQWAPBMCOWMS-UHFFFAOYSA-N",367776,NA,"PDBC22444","637715","Present",NA,NA
+"22445","4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCOC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5OCC)C)C","YHRFWPISEBHJLT-UHFFFAOYSA-N",367763,NA,"PDBC22445","637702","Present",NA,NA
+"22446","4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2-ethyl-6-methylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2-ethyl-6-methylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCC1=CC=CC(=C1NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=C(C=CC=C5CC)C)C)C)C","YCFNALFLPPVSKS-UHFFFAOYSA-N",367762,NA,"PDBC22446","637701","Present",NA,NA
+"22447","4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-yl)-3-N,5-N-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5CC)C)C","PYIDXOJZIRQMOO-UHFFFAOYSA-N",367766,NA,"PDBC22447","637705","Present",NA,NA
+"22448","4-(1,3-Benzodioxol-5-yl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-yl)-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=C(C=C5)[N+](=O)[O-]","AQIIQIGWKQCXPC-UHFFFAOYSA-N",367683,NA,"PDBC22448","637614","Present",NA,NA
+"22449","4-(1,3-Benzodioxol-5-yl)-N~3~-(2,6-diethylphenyl)-N~5~-(2-ethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-yl)-5-N-(2,6-diethylphenyl)-3-N-(2-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(NC(=C(C2C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5CC)C)C","BBNDTSBCYPKNGP-UHFFFAOYSA-N",367739,NA,"PDBC22449","637678","Present",NA,NA
+"22450","4-(1,3-Benzodioxol-5-ylmethyl)-8,9-dimethoxy-3,4,5,6-tetrahydro-1H-1,3-benzodiazocin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-ylmethyl)-8,9-dimethoxy-3,4,5,6-tetrahydro-1,3-benzodiazocin-2(1H)-one",NA,"COC1=C(C=C2C(=C1)CCC(NC(=O)N2)CC3=CC4=C(C=C3)OCO4)OC","OOBVCCSFJPUKSE-UHFFFAOYSA-N",360770,NA,"PDBC22450","623110","Present",NA,NA
+"22451","4-(1,3-Benzodioxol-5-ylmethylene)-3-methyl-5(4H)-isoxazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-(1,3-Benzodioxol-5-ylmethylidene)-3-methyl-1,2-oxazol-5-one",NA,"CC1=NOC(=O)C1=CC2=CC3=C(C=C2)OCO3","YQZOINRTUOVWGH-RUDMXATFSA-N",5386665,NA,"PDBC22451","615466","Present",NA,NA
+"22452","4-(1,3-Benzodithiol-2-ylidenemethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodithiol-2-ylidenemethyl)benzoic acid",NA,"C1=CC=C2C(=C1)SC(=CC3=CC=C(C=C3)C(=O)O)S2","RZHSJZDDOFIDIO-UHFFFAOYSA-N",400747,NA,"PDBC22452","713178","Present",NA,NA
+"22453","4-(1,3-Benzothiazol-2-yl)-1-(1,3-thiazol-2-yl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(1,3-thiazol-2-yl)-2,3,5,6-piperidinetetrone",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=NC=CS4","WSYITPUNIHLFQR-UHFFFAOYSA-N",366747,NA,"PDBC22453","635520","Present",NA,NA
+"22454","4-(1,3-Benzothiazol-2-yl)-1-(2,3-dimethylphenyl)piperidine-2,3,5,6-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(2,3-dimethylphenyl)piperidine-2,3,5,6-tetrone",NA,"CC1=C(C(=CC=C1)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C","KCNWPFOQXJHXCB-UHFFFAOYSA-N",361038,NA,"PDBC22454","623772","Present",NA,NA
+"22455","4-(1,3-Benzothiazol-2-yl)-1-(2,4-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(2,4-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=C(C=C(C=C4)Cl)Cl","QILGRYDPBBVBBE-UHFFFAOYSA-N",366304,NA,"PDBC22455","634655","Present",NA,NA
+"22456","4-(1,3-Benzothiazol-2-yl)-1-(2,5-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(2,5-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=C(C=CC(=C4)Cl)Cl","KHXZVJWAOMUUOB-UHFFFAOYSA-N",361015,NA,"PDBC22456","623748","Present",NA,NA
+"22457","4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-2,3,5,6-piperidinetetrone",NA,"CC1=CC(=C(C=C1)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","MWSIVQBLCOWEOC-UHFFFAOYSA-N",361025,NA,"PDBC22457","623759","Present",NA,NA
+"22458","4-(1,3-Benzothiazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone",NA,"CCOC1=CC=CC=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","ZDAVAGZRRLLSDO-UHFFFAOYSA-N",366751,NA,"PDBC22458","635524","Present",NA,NA
+"22459","4-(1,3-Benzothiazol-2-yl)-1-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(2-ethyl-6-isopropylphenyl)-2,3,5,6-piperidinetetrone",NA,"CCC1=C(C(=CC=C1)C(C)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","OLBXECVLIXZXID-UHFFFAOYSA-N",366522,NA,"PDBC22459","635131","Present",NA,NA
+"22460","4-(1,3-Benzothiazol-2-yl)-1-(2-ethylphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(2-ethylphenyl)-2,3,5,6-piperidinetetrone",NA,"CCC1=CC=CC=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","DLUJLCBEMVKWMB-UHFFFAOYSA-N",366181,NA,"PDBC22460","634508","Present",NA,NA
+"22461","4-(1,3-Benzothiazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl","XNYJESMBSPZZFV-UHFFFAOYSA-N",361036,NA,"PDBC22461","623770","Present",NA,NA
+"22462","4-(1,3-Benzothiazol-2-yl)-1-(3-(trifluoromethyl)phenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(3-(trifluoromethyl)phenyl)-2,3,5,6-piperidinetetrone",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC=CC(=C4)C(F)(F)F","JVKDNDNHACUQKN-UHFFFAOYSA-N",366752,NA,"PDBC22462","635525","Present",NA,NA
+"22463","4-(1,3-Benzothiazol-2-yl)-1-(4-chloro-2-methylphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(4-chloro-2-methylphenyl)-2,3,5,6-piperidinetetrone",NA,"CC1=C(C=CC(=C1)Cl)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","NFHFVACPBITHHZ-UHFFFAOYSA-N",362276,NA,"PDBC22463","625887","Present",NA,NA
+"22464","4-(1,3-Benzothiazol-2-yl)-1-(4-chlorophenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-1-(4-chlorophenyl)-2,3,5,6-piperidinetetrone",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl","IIKGBNWTZMYMJH-UHFFFAOYSA-N",364764,NA,"PDBC22464","631523","Present",NA,NA
+"22465","4-(1,3-Benzothiazol-2-yl)-2,6-dibromoaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BB 0245173",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C(=C3)Br)N)Br","VMSOXDDOLAQINC-UHFFFAOYSA-N",391872,NA,"PDBC22465","691535","Present",NA,NA
+"22466","4-(1,3-Benzothiazol-2-yl)-2,6-dichloroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARK100995",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C(=C3)Cl)N)Cl","JGBRZSNXLUIGLP-UHFFFAOYSA-N",391873,NA,"PDBC22466","691536","Present",NA,NA
+"22467","4-(1,3-Benzothiazol-2-yl)-2-(trifluoromethyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-2-(trifluoromethyl)aniline",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)C(F)(F)F","XBBAAIZHMCJPHP-UHFFFAOYSA-N",402861,NA,"PDBC22467","717146","Present",NA,NA
+"22468","4-(1,3-Benzothiazol-2-yl)-2-chloroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-amino-3-chlorophenyl)benzothiazole",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)Cl","VMHNOJKXMWYAGM-UHFFFAOYSA-N",387950,NA,"PDBC22468","682303","Present",NA,NA
+"22469","4-(1,3-Benzothiazol-2-yl)-2-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BENZOTHIAZOLE",NA,"CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N","IDBCUMFOZBUJCL-UHFFFAOYSA-N",384525,NA,"PDBC22469","674495","Present",NA,NA
+"22470","4-(1,3-Benzothiazol-2-yl)-3-oxo-6-(4-sulfophenyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-ene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-benzothiazol-2-yl)-3-oxo-6-(4-sulfophenyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-ene-8-carboxylic acid",NA,"C1C(=NN(C12N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)S(=O)(=O)O)C(=O)O","QMSSWEIIVHQALA-UHFFFAOYSA-N",397252,NA,"PDBC22470","704669","Present",NA,NA
+"22471","4-(1,3-Benzothiazol-2-yl)-6-(2-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-6-(2-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,"CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5Cl","GHEXTNZLHBOGSS-UHFFFAOYSA-N",397249,NA,"PDBC22471","704666","Present",NA,NA
+"22472","4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-6-(3-chlorophenyl)-8-methyl-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,"CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)Cl","PQVPWQTUNDHUAD-UHFFFAOYSA-N",397250,NA,"PDBC22472","704667","Present",NA,NA
+"22473","4-(1,3-Benzothiazol-2-yl)-8-methyl-6-(4-methylphenyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)-8-methyl-6-(p-tolyl)-1-thia-4,6,7-triazaspiro[4.4]non-7-en-3-one",NA,"CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)C","VYYKFCUKEMHPFX-UHFFFAOYSA-N",397253,NA,"PDBC22473","704670","Present",NA,NA
+"22474","4-(1,3-Benzothiazol-2-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_000954",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N","WKRCOZSCENDENK-UHFFFAOYSA-N",234475,NA,"PDBC22474","34445","Present",NA,NA
+"22475","4-(1,3-Benzothiazol-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000238",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)O","ODMDLCWSMSFWCW-UHFFFAOYSA-N",95745,NA,"PDBC22475","33004","Present",NA,NA
+"22476","4-(1,3-Benzothiazol-2-yl)piperidine-2,3,5,6-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yl)piperidine-2,3,5,6-tetrone",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=O)C(=O)NC(=O)C3=O","XEOMWIVBLKERNQ-UHFFFAOYSA-N",360722,NA,"PDBC22476","623058","Present",NA,NA
+"22477","4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylnaphthalene-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylnaphthalene-1,3-diol",NA,"CC1=C(C2=CC=CC=C2C(=C1O)N=NC3=NC4=CC=CC=C4S3)O","RFOBGRDBELPUSF-UHFFFAOYSA-N",135436607,NA,"PDBC22477","730197","Present",NA,NA
+"22478","4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylsulfanylnaphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yldiazenyl)-2-methylsulfanylnaphthalen-1-ol",NA,"CSC1=C(C2=CC=CC=C2C(=C1)N=NC3=NC4=CC=CC=C4S3)O","AUHWBKSPRBPAEV-UHFFFAOYSA-N",135585470,NA,"PDBC22478","730199","Present",NA,NA
+"22479","4-(1,3-Benzothiazol-2-yloxy)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzothiazol-2-yloxy)benzoic acid",NA,"C1=CC=C2C(=C1)N=C(S2)OC3=CC=C(C=C3)C(=O)O","OSAFDKPQNFIGBA-UHFFFAOYSA-N",275466,NA,"PDBC22479","122335","Present",NA,NA
+"22480","4-(1,3-Benzothiazol-2-ylsulfanyl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_001860",NA,"C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)O","VLBFSFGWNXSNRM-UHFFFAOYSA-N",294538,NA,"PDBC22480","163173","Present",NA,NA
+"22481","4-(1,3-Benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-1-(2,4-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,"C1=CC=C2C(=C1)N=C(O2)C3C(=O)C(=O)N(C(=O)C3=O)C4=C(C=C(C=C4)Cl)Cl","KUNFRYCDABUTIQ-UHFFFAOYSA-N",362280,NA,"PDBC22481","625891","Present",NA,NA
+"22482","4-(1,3-Benzoxazol-2-yl)-1-(2,5-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-1-(2,5-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,"C1=CC=C2C(=C1)N=C(O2)C3C(=O)C(=O)N(C(=O)C3=O)C4=C(C=CC(=C4)Cl)Cl","SZBGNWSZCSGGCD-UHFFFAOYSA-N",366516,NA,"PDBC22482","635125","Present",NA,NA
+"22483","4-(1,3-Benzoxazol-2-yl)-1-(2,5-dimethylphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-1-(2,5-dimethylphenyl)-2,3,5,6-piperidinetetrone",NA,"CC1=CC(=C(C=C1)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","VOJIXMPUEWRUGI-UHFFFAOYSA-N",360724,NA,"PDBC22483","623060","Present",NA,NA
+"22484","4-(1,3-Benzoxazol-2-yl)-1-(2,6-diisopropylphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-1-(2,6-diisopropylphenyl)-2,3,5,6-piperidinetetrone",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","DYZHWMSSVRCWIL-UHFFFAOYSA-N",360995,NA,"PDBC22484","623727","Present",NA,NA
+"22485","4-(1,3-Benzoxazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-1-(2-ethoxyphenyl)-2,3,5,6-piperidinetetrone",NA,"CCOC1=CC=CC=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","HWWBJNVQKDVLJL-UHFFFAOYSA-N",361037,NA,"PDBC22485","623771","Present",NA,NA
+"22486","4-(1,3-Benzoxazol-2-yl)-1-(2-ethyl-6-methylphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-1-(2-ethyl-6-methylphenyl)-2,3,5,6-piperidinetetrone",NA,"CCC1=CC=CC(=C1N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3)C","SQNGJEJAKFTHFJ-UHFFFAOYSA-N",362281,NA,"PDBC22486","625892","Present",NA,NA
+"22487","4-(1,3-Benzoxazol-2-yl)-1-(2-isopropyl-6-methylphenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-1-(2-isopropyl-6-methylphenyl)-2,3,5,6-piperidinetetrone",NA,"CC1=C(C(=CC=C1)C(C)C)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","CHWGSGKWIWQWDK-UHFFFAOYSA-N",367745,NA,"PDBC22487","637684","Present",NA,NA
+"22488","4-(1,3-Benzoxazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-piperidinetetrone",NA,"C1=CC=C2C(=C1)N=C(O2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl","NABKWJZFWVKHJX-UHFFFAOYSA-N",360700,NA,"PDBC22488","623036","Present",NA,NA
+"22489","4-(1,3-Benzoxazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-tetraoxo-4-piperidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-1-(3,4-dichlorophenyl)-2,3,5,6-tetraoxo-4-piperidinecarbonitrile",NA,"C1=CC=C2C(=C1)N=C(O2)C3(C(=O)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl)C#N","ZRCMNVCWZMGSFP-UHFFFAOYSA-N",366642,NA,"PDBC22489","635317","Present",NA,NA
+"22490","4-(1,3-Benzoxazol-2-yl)-1-(4-chlorophenyl)-2,3,5,6-piperidinetetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-1-(4-chlorophenyl)-2,3,5,6-piperidinetetrone",NA,"C1=CC=C2C(=C1)N=C(O2)C3C(=O)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl","PNDPTEHDMOMJMM-UHFFFAOYSA-N",361026,NA,"PDBC22490","623760","Present",NA,NA
+"22491","4-(1,3-Benzoxazol-2-yl)-N-[(Z)-pyridin-2-yldiazenyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzoxazol-2-yl)-N-[(Z)-pyridin-2-yldiazenyl]aniline",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NN=NC4=CC=CC=N4","OAZAHICFRLZOFC-UHFFFAOYSA-N",5471845,NA,"PDBC22491","714518","Present",NA,NA
+"22492","4-(1,3-Dioxoisoindolin-2-yl)-N-pyrimidin-2-yl-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Dioxoisoindol-2-yl)-N-pyrimidin-2-ylbenzenesulfonamide",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4","DQWCAOGIBFXAJY-UHFFFAOYSA-N",44187554,NA,"PDBC22492","740118","Present",NA,NA
+"22493","4-(1,3-Dioxolan-2-yl)-2-(hydroxymethyl)[1,2,4]triazolo[4,3-a]quinoline-1(2H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Dioxolan-2-yl)-2-(hydroxymethyl)[1,2,4]triazolo[4,3-a]quinoline-1(2H)-thione",NA,"C1COC(O1)C2=CC3=CC=CC=C3N4C2=NN(C4=S)CO","OMXKYFFCUGFWQN-UHFFFAOYSA-N",373086,NA,"PDBC22493","649006","Present",NA,NA
+"22494","4-(1,4-Dioxobenzo[a]carbazol-11-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,4-Dioxobenzo[a]carbazol-11-yl)benzonitrile",NA,"C1=CC=C2C(=C1)C3=C(N2C4=CC=C(C=C4)C#N)C5=C(C=C3)C(=O)C=CC5=O","XQIFDSULHRNKHC-UHFFFAOYSA-N",397017,NA,"PDBC22494","704280","Present",NA,NA
+"22495","4-(1,5,5a,6,9,9a-Hexahydro-2,4-benzodioxepin-3-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,5,5a,6,9,9a-Hexahydro-2,4-benzodioxepin-3-yl)benzonitrile",NA,"C1C=CCC2C1COC(OC2)C3=CC=C(C=C3)C#N","CMALIMURPNBRHI-UHFFFAOYSA-N",370857,NA,"PDBC22495","644579","Present",NA,NA
+"22496","4-(1-(2-Hydroxybenzoyl)-6-imino-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-1,3-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(2,4-dihydroxy...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=C(C=C(C=C3)O)O)C(=O)C4=CC=CC=C4O","SXLNKLVZGMPPQR-UHFFFAOYSA-N",376876,NA,"PDBC22496","657996","Present",NA,NA
+"22497","4-(1-(Acetyloxy)-2-(ethoxycarbonyl)-3-oxo-1-butenyl)nicotinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-(Acetyloxy)-2-(ethoxycarbonyl)-3-oxo-1-butenyl)nicotinic acid",NA,"CCOC(=O)C(=C(C1=C(C=NC=C1)C(=O)O)OC(=O)C)C(=O)C","HYIGPYWWKXQDPG-SEYXRHQNSA-N",3005245,NA,"PDBC22497","685681","Present",NA,NA
+"22498","4-(1-Acetyloxypropen-2-yl-)-2-methoxyphenylisobutyrat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Acetyloxypropen-2-yl-)-2-methoxyphenylisobutyrat",NA,"CC(C)C(=O)OC1=C(C=C(C=C1)C(C=C)OC(=O)C)OC","AZEASYGWRLHADI-UHFFFAOYSA-N",384402,NA,"PDBC22498","674130","Present",NA,NA
+"22499","4-(1-Adamantyl)-3,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-adamantyl)-3,5-diphenyl-5H-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=CC=C6","FNJFABLHZKWMJK-UHFFFAOYSA-N",378744,NA,"PDBC22499","661900","Present",NA,NA
+"22500","4-(1-Adamantyl)-3-(4-nitrophenyl)-5-phenyl-5H-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-3-(4-nitrophenyl)-5-phenyl-5H-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6","HSTKMQXUSIPRJS-UHFFFAOYSA-N",384699,NA,"PDBC22500","674935","Present",NA,NA
+"22501","4-(1-Adamantyl)-3-phenyl-5-(3-bromophenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-3-phenyl-5-(3-bromophenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=CC=C6)Br","KIGWZRWQNFEJHP-UHFFFAOYSA-N",378747,NA,"PDBC22501","661903","Present",NA,NA
+"22502","4-(1-Adamantyl)-3-phenyl-5-(3-fluorophenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-3-phenyl-5-(3-fluorophenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=CC=C6)F","HYHLGFDNLJIHFZ-UHFFFAOYSA-N",378745,NA,"PDBC22502","661901","Present",NA,NA
+"22503","4-(1-Adamantyl)-3-phenyl-5-(3-methoxyphenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-3-phenyl-5-(3-methoxyphenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,"COC1=CC=CC(=C1)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5","GWAVUFDOGHKOND-UHFFFAOYSA-N",378751,NA,"PDBC22503","661907","Present",NA,NA
+"22504","4-(1-Adamantyl)-3-phenyl-5-(3-methylphenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-3-phenyl-5-(3-methylphenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,"CC1=CC(=CC=C1)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5","YHZHYDLGNCDZCG-UHFFFAOYSA-N",378749,NA,"PDBC22504","661905","Present",NA,NA
+"22505","4-(1-Adamantyl)-3-phenyl-5-(4-chlorophenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-3-phenyl-5-(4-chlorophenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=C(C=C6)Cl","XTCGJTFARXPSKA-UHFFFAOYSA-N",378746,NA,"PDBC22505","661902","Present",NA,NA
+"22506","4-(1-Adamantyl)-3-phenyl-5-(4-cyanophenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-3-phenyl-5-(4-cyanophenyl)-4,5-dihydro-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=C(C=C6)C#N","RRYWMCNGHAUCNY-UHFFFAOYSA-N",378752,NA,"PDBC22506","661908","Present",NA,NA
+"22507","4-(1-Adamantyl)-3-phenyl-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-3-phenyl-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2,4-oxadiazole",NA,"CN(C)C1=CC=C(C=C1)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5","NQVSALXMASODGJ-UHFFFAOYSA-N",378753,NA,"PDBC22507","661909","Present",NA,NA
+"22508","4-(1-Adamantyl)-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-3-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=C(C=C6)C(F)(F)F","LGQMKKMMRJOBOG-UHFFFAOYSA-N",378750,NA,"PDBC22508","661906","Present",NA,NA
+"22509","4-(1-Adamantyl)-4,7-dimethyl-5,7,9-triazapentacyclo[10.3.1.03,10.03,14.05,9]hexadecane-6,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-4,7-dimethyl-5,7,9-triazapentacyclo[10.3.1.03,10.03,14.05,9]hexadecane-6,8-dione",NA,"CC1(C23CC4CC(CC2C4)CC3N5N1C(=O)N(C5=O)C)C67CC8CC(C6)CC(C8)C7","YZXGXCSVJCWIGP-UHFFFAOYSA-N",391632,NA,"PDBC22509","691118","Present",NA,NA
+"22510","4-(1-Adamantyl)-5-(2,3-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(2,3-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=C(C(=CC=C6)Cl)Cl","ISWNWDGESDVBJZ-UHFFFAOYSA-N",378761,NA,"PDBC22510","661917","Present",NA,NA
+"22511","4-(1-Adamantyl)-5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(2,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=C(C=C(C=C6)Cl)Cl","LUJHXPLDZRUQDX-UHFFFAOYSA-N",378762,NA,"PDBC22511","661918","Present",NA,NA
+"22512","4-(1-Adamantyl)-5-(2,6-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(2,6-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=C(C=CC=C6Cl)Cl","QJKYPKWPSHZWHV-UHFFFAOYSA-N",379710,NA,"PDBC22512","664685","Present",NA,NA
+"22513","4-(1-Adamantyl)-5-(2,6-dimethoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(2,6-dimethoxyphenyl)-3-phenyl-5H-1,2,4-oxadiazole",NA,"COC1=C(C(=CC=C1)OC)C2N(C(=NO2)C3=CC=CC=C3)C45CC6CC(C4)CC(C6)C5","JNKXQNREVLZZMV-UHFFFAOYSA-N",384698,NA,"PDBC22513","674934","Present",NA,NA
+"22514","4-(1-Adamantyl)-5-(2-fluorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(2-fluorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6F","BJDPKCDJTKPBIA-UHFFFAOYSA-N",384700,NA,"PDBC22514","674936","Present",NA,NA
+"22515","4-(1-Adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(2-methoxyphenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole",NA,"COC1=CC=CC=C1C2N(C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5","UTOUMURSSRDWDC-UHFFFAOYSA-N",384702,NA,"PDBC22515","674938","Present",NA,NA
+"22516","4-(1-Adamantyl)-5-(3,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(3,4-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl","ADNABTNLUBUBCI-UHFFFAOYSA-N",378763,NA,"PDBC22516","661919","Present",NA,NA
+"22517","4-(1-Adamantyl)-5-(3,5-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(3,5-dichlorophenyl)-3-phenyl-4,5-dihydro-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=CC(=C6)Cl)Cl","MRCFUJLJBDHFHW-UHFFFAOYSA-N",378764,NA,"PDBC22517","661920","Present",NA,NA
+"22518","4-(1-Adamantyl)-5-(4-chloro-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(4-chloro-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]","MATVFXPTQKSTKC-UHFFFAOYSA-N",379711,NA,"PDBC22518","664686","Present",NA,NA
+"22519","4-(1-Adamantyl)-5-(4-chlorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(4-chlorophenyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)Cl","RQUJZTUWAZDODQ-UHFFFAOYSA-N",384701,NA,"PDBC22519","674937","Present",NA,NA
+"22520","4-(1-Adamantyl)-5-(4-nitrophenyl)-3-phenyl-5H-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(4-nitrophenyl)-3-phenyl-5H-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]","BCZBIYCPSSHALQ-UHFFFAOYSA-N",378748,NA,"PDBC22520","661904","Present",NA,NA
+"22521","4-(1-Adamantyl)-5-(5-chloro-2-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantyl)-5-(5-chloro-2-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole",NA,"C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=C(C=CC(=C6)Cl)[N+](=O)[O-]","ZWAHBUZUYWFGNJ-UHFFFAOYSA-N",379712,NA,"PDBC22521","664687","Present",NA,NA
+"22522","4-(1-Adamantyloxy)-2,6-dichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamantyl 2,6-dichloro-4-pyrimidinyl ether",NA,"C1C2CC3CC1CC(C2)(C3)OC4=CC(=NC(=N4)Cl)Cl","PNHPNPKBSSATBM-UHFFFAOYSA-N",387542,NA,"PDBC22522","681452","Present",NA,NA
+"22523","4-(1-Adamantylsulfonyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Adamantylsulfonyl)aniline",NA,"C1C2CC3CC1CC(C2)(C3)S(=O)(=O)C4=CC=C(C=C4)N","DKRQODSPBOIAOG-UHFFFAOYSA-N",269930,NA,"PDBC22523","111650","Present",NA,NA
+"22524","4-(1-Aziridinyl)-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4-d]pyrimidine, 4-(1-aziridinyl)-1-(tetrah...",NA,"C1CCOC(C1)N2C3=C(C=N2)C(=NC=N3)N4CC4","WOWVNYFKIVFUJC-UHFFFAOYSA-N",239499,NA,"PDBC22524","44596","Present",NA,NA
+"22525","4-(1-Benzofuran-2-yl)-5H-1,2,3-dithiazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-benzofuran-2-yl)-5H-1,2,3-dithiazole-5-thione",NA,"C1=CC=C2C(=C1)C=C(O2)C3=NSSC3=S","BUCFHMNLJIMQEW-UHFFFAOYSA-N",44569471,NA,"PDBC22525","741896","Present",NA,NA
+"22526","4-(1-Benzofuran-2-yl)-7-methoxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-2-one, 4-(2-benzofuranyl)-7-methoxy-",NA,"COC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC4=CC=CC=C4O3","HVJZIPHIHDWKTE-UHFFFAOYSA-N",364364,NA,"PDBC22526","630375","Present",NA,NA
+"22527","4-(1-Benzothiophen-2-yl)-4-piperidin-1-ylcyclohexan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzothiophen-2-yl)-4-(1-piperidyl)cyclohexan-1-amine",NA,"C1CCN(CC1)C2(CCC(CC2)N)C3=CC4=CC=CC=C4S3","GQZMPYDZSHSPLL-UHFFFAOYSA-N",398392,NA,"PDBC22527","708105","Present",NA,NA
+"22528","4-(1-Benzyl-2-methyl-2,3-dihydro-1,5-benzodiazepin-4-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-2-methyl-4-morpholino-2,3-dihydro-1,5-benzodiazepine",NA,"CC1CC(=NC2=CC=CC=C2N1CC3=CC=CC=C3)N4CCOCC4","QGUVCSSGIIJNRF-UHFFFAOYSA-N",397536,NA,"PDBC22528","705844","Present",NA,NA
+"22529","4-(1-Benzyl-2-oxopyrrolidin-3-yl)-5-[(Z)-1-hydroxy-3-oxobut-1-enyl]-1H-pyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Benzyl-2-oxopyrrolidin-3-yl)-5-[(Z)-1-hydroxy-3-oxobut-1-enyl]-1H-pyrrole-2-carboxylic acid",NA,"CC(=O)C=C(C1=C(C=C(N1)C(=O)O)C2CCN(C2=O)CC3=CC=CC=C3)O","DHPFTZVZBOEUMR-MFOYZWKCSA-N",5469917,NA,"PDBC22529","694108","Present",NA,NA
+"22530","4-(1-Butyl-3-hydroxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Butyl-3-hydroxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid",NA,"CCCCN1CCC(C1=O)(C2=C(NC(=C2)C(=O)O)C3=CC(=NO3)C)O","ZCCCDKWKNIEVJQ-UHFFFAOYSA-N",392922,NA,"PDBC22530","694106","Present",NA,NA
+"22531","4-(1-Chloro-2-(3,4-dichlorophenyl)vinyl)phenyl methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Chloro-2-(3,4-dichlorophenyl)vinyl)phenyl methyl ether",NA,"COC1=CC=C(C=C1)C(=CC2=CC(=C(C=C2)Cl)Cl)Cl","GSQZRDGFYQJNNU-ZSOIEALJSA-N",5467560,NA,"PDBC22531","655913","Present",NA,NA
+"22532","4-(1-Chloro-2-(4-ethoxyphenyl)vinyl)-1,2-dimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Chloro-2-(4-ethoxyphenyl)vinyl)-1,2-dimethoxybenzene",NA,"CCOC1=CC=C(C=C1)C=C(C2=CC(=C(C=C2)OC)OC)Cl","RLOMDOXHFCVSNX-WJDWOHSUSA-N",5467562,NA,"PDBC22532","655915","Present",NA,NA
+"22533","4-(1-Chloroethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Chloroethyl)-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C(C)Cl","PZYLBYTXGRSBGU-UHFFFAOYSA-N",393946,NA,"PDBC22533","696918","Present",NA,NA
+"22534","4-(1-Cyanonaphthalen-2-ylamino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-cyanonaphthalen-2-ylamino)-4-oxobutanoic acid",NA,"C1=CC=C2C(=C1)C=CC(=C2C#N)NC(=O)CCC(=O)O","QBAJQKUIUQGUSG-UHFFFAOYSA-N",319492,NA,"PDBC22534","263791","Present",NA,NA
+"22535","4-(1-Cyclohexyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Cyclohexyl-1H-tetraazol-5-yl)-N-phenyl-4-piperidinamine",NA,"C1CCC(CC1)N2C(=NN=N2)C3(CCNCC3)NC4=CC=CC=C4","CGXOGJHHUWBUQR-UHFFFAOYSA-N",379862,NA,"PDBC22535","665000","Present",NA,NA
+"22536","4-(1-Hydroxy-2,2-dimethylpropyl)-N,N-diisopropyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Hydroxy-2,2-dimethylpropyl)-N,N-diisopropyl-1-cubanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(C(C)(C)C)O","RCQVUCUPTXPRIP-UHFFFAOYSA-N",369198,NA,"PDBC22536","640904","Present",NA,NA
+"22537","4-(1-Hydroxy-2-methylpropan-2-yl)-N-phenylpiperazine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Hydroxy-2-methylpropan-2-yl)-N-phenylpiperazine-1-c...",NA,"CC(C)(CO)N1CCN(CC1)C(=S)NC2=CC=CC=C2","AXMCECNEBNXCQG-UHFFFAOYSA-N",3246314,NA,"PDBC22537","87008","Present",NA,NA
+"22538","4-(1-Hydroxy-4-pentenyl)-2,6-dimethylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Hydroxy-4-pentenyl)-2,6-dimethylphenol",NA,"CC1=CC(=CC(=C1O)C)C(CCC=C)O","ZPYXXKBGYSHNDC-UHFFFAOYSA-N",371298,NA,"PDBC22538","645373","Present",NA,NA
+"22539","4-(1-Hydroxy-4-phenylbutyl)-2,6-dimethylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Hydroxy-4-phenylbutyl)-2,6-dimethylphenol",NA,"CC1=CC(=CC(=C1O)C)C(CCCC2=CC=CC=C2)O","UYEGHEVKFCTVSM-UHFFFAOYSA-N",371297,NA,"PDBC22539","645372","Present",NA,NA
+"22540","4-(1-Hydroxyethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Hydroxyethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC22540","658477","Present",NA,NA
+"22541","4-(1-Isobutyloxypropen-2-yl-)-2-methoxyphenylisobutyrat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-isobutyloxypropen-2-yl-)-2-methoxyphenylisobutyrat",NA,"CC(C)C(=O)OC1=CC=C(C=C1)C(C=C)OC(=O)C(C)C","AXABLKVJKXKCGT-UHFFFAOYSA-N",384403,NA,"PDBC22541","674131","Present",NA,NA
+"22542","4-(1-Methyl-4,5-dihydroimidazol-2-yl)-1-(4-nitrophenyl)-5-phenyl-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Methyl-4,5-dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazole",NA,"CN1CCN=C1C2=C(N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","NKXNTDZAUVCITI-UHFFFAOYSA-N",371090,NA,"PDBC22542","645036","Present",NA,NA
+"22543","4-(1-Methyl-4-(phenylsulfonyl)-2-cyclohexen-1-yl)-1-butanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Methyl-4-(phenylsulfonyl)-2-cyclohexen-1-yl)-1-butanol",NA,"CC1(CCC(C=C1)S(=O)(=O)C2=CC=CC=C2)CCCCO","VMJQAHGRSHVIKV-UHFFFAOYSA-N",390940,NA,"PDBC22543","689193","Present",NA,NA
+"22544","4-(1-Methylindol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-methyl-3-[4-(1-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]...",NA,"CN1C=C(C2=CC=CC=C21)C3=CSC(=N3)C4=CN(C5=C4C=CC=N5)C","SBIWTBKEIRQOPM-UHFFFAOYSA-N",155809792,NA,"PDBC22544","778406","Present",NA,NA
+"22545","4-(1-Methylpyrrol-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Methylpyrrol-2-yl)-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile",NA,"CN1C=CC=C1C2=C(C(=O)NC(=C2)C3=CC=CC=C3)C#N","PVDBMSLQOOZNIO-UHFFFAOYSA-N",19656591,NA,"PDBC22545","735019","Present",NA,NA
+"22546","4-(1-Methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Methylpyrrol-2-yl)-2-oxo-6-thiophen-2-yl-1H-pyridine-3-carbonitrile",NA,"CN1C=CC=C1C2=C(C(=O)NC(=C2)C3=CC=CS3)C#N","DESFRHOIGFVFSF-UHFFFAOYSA-N",19656592,NA,"PDBC22546","735022","Present",NA,NA
+"22547","4-(1-Methylpyrrolo[2,3-b]pyridin-3-yl)-2-[1-(3-piperidin-1-ylpropyl)indol-3-yl]-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-{2-[1-(3-piperidin-1-yl-propyl)-1H-indol-3-yl...",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=CC=CC=C54)CCCN6CCCCC6","ORFNIWAOKQKVFK-UHFFFAOYSA-N",155813254,NA,"PDBC22547","793994","Present",NA,NA
+"22548","4-(1-Methylpyrrolo[2,3-b]pyridin-3-yl)-2-[1-(4-piperidin-1-ylbutyl)indol-3-yl]-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-3-{2-[1-(4-piperidin-1-yl-butyl)-1H-indol-3-yl]...",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=CC=CC=C54)CCCCN6CCCCC6","OFGRJLNDUXMWSS-UHFFFAOYSA-N",155812157,NA,"PDBC22548","794011","Present",NA,NA
+"22549","4-(1-Naphthyl)-1,2,3,4-tetrahydro-3-phenanthrenecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Naphthyl)-1,2,3,4-tetrahydro-3-phenanthrenecarboxylic acid",NA,"C1CC2=C(C(C1C(=O)O)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5C=C2","OSMADBDRFADZPJ-UHFFFAOYSA-N",282424,NA,"PDBC22549","135900","Present",NA,NA
+"22550","4-(1-Naphthyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Naphthyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)CC(=O)C(=O)NC3=NC=CS3","HZBVYRGSIUNBIA-UHFFFAOYSA-N",364968,NA,"PDBC22550","631854","Present",NA,NA
+"22551","4-(1-Naphthyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Naphthyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine",NA,"C1CNC(C2=C1NC=N2)C3=CC=CC4=CC=CC=C43","DTSOFKRXDNDWMA-UHFFFAOYSA-N",368198,NA,"PDBC22551","638626","Present",NA,NA
+"22552","4-(1-Oxido-1,2,4-benzotriazin-1-ium-3-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Morpholinyl)-1.lambda.~5~,2,4-benzotriazin-1-ol",NA,"C1COCCN1C2=NC3=CC=CC=C3[N+](=N2)[O-]","BEQHDWWEVNJIBU-UHFFFAOYSA-N",494375,NA,"PDBC22552","617850","Present",NA,NA
+"22553","4-(1-Phenylethylidene)-2-phenyloxazole-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Phenylethylidene)-2-phenyloxazole-5(4H)-one",NA,"CC(=C1C(=O)OC(=N1)C2=CC=CC=C2)C3=CC=CC=C3","TYPJAOYNIKQSCQ-QINSGFPZSA-N",5384655,NA,"PDBC22553","351964","Present",NA,NA
+"22554","4-(10-(4-(2-Bromoethoxy)phenyl)-9-anthryl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(10-(4-(2-Bromoethoxy)phenyl)-9-anthryl)phenol",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)OCCBr)C5=CC=C(C=C5)O","OTJXTZBEGXQROZ-UHFFFAOYSA-N",378369,NA,"PDBC22554","660666","Present",NA,NA
+"22555","4-(1H Benzimidazol-2-yl)-1-naphthylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H benzimidazol-2-yl)-1-naphthylamine",NA,"C1=CC=C2C(=C1)C(=CC=C2N)C3=NC4=CC=CC=C4N3","OSMUOQKNFWYPBZ-UHFFFAOYSA-N",24205337,NA,"PDBC22555","735185","Present",NA,NA
+"22556","4-(1H-Benzimidazol-2-yl)-2,2-dimethylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Benzimidazol-2-yl)-2,2-dimethylbutanoic acid",NA,"CC(C)(CCC1=NC2=CC=CC=C2N1)C(=O)O","DBJJQAYXVLLRGG-UHFFFAOYSA-N",356244,NA,"PDBC22556","611399","Present",NA,NA
+"22557","4-(1H-Benzimidazol-2-yl)-N-[(E)-[2-(4-benzylphenyl)-1H-indol-3-yl]methylideneamino]aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Benzimidazol-2-yl)-N-[(E)-[2-(4-benzylphenyl)-1H-indol-3-yl]methylideneamino]aniline;hydrochloride",NA,"C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=C(C4=CC=CC=C4N3)C=NNC5=CC=C(C=C5)C6=NC7=CC=CC=C7N6.Cl","ZGTWWBPGYHNABG-CWWQQMKRSA-N",135505227,NA,"PDBC22557","706044","Present",NA,NA
+"22558","4-(1H-Benzimidazol-2-yl)-N-[(E)-pyridin-2-yldiazenyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Benzimidazol-2-yl)-N-[(E)-pyridin-2-yldiazenyl]aniline",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NN=NC4=CC=CC=N4","SOSOOSUKEWICIL-UHFFFAOYSA-N",5471984,NA,"PDBC22558","715749","Present",NA,NA
+"22559","4-(1H-Benzimidazol-2-yl)-N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Benzimidazol-2-yl)-N-[(Z)-(2-phenyl-1H-indol-3-yl)methylideneamino]aniline",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=NNC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","JUVFPJYJSLKNSU-MIXAMLLLSA-N",135436195,NA,"PDBC22559","713211","Present",NA,NA
+"22560","4-(1H-Benzimidazol-2-yl)-N-[(Z)-[2-(4-bromophenyl)-1H-indol-3-yl]methylideneamino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Benzimidazol-2-yl)-N-[(Z)-[2-(4-bromophenyl)-1H-indol-3-yl]methylideneamino]aniline",NA,"C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)Br)C=NNC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","CWPFKGMCXKUYQZ-LQNQUEJISA-N",135436194,NA,"PDBC22560","713210","Present",NA,NA
+"22561","4-(1H-Benzimidazol-2-ylmethoxy)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAS# 73418-54-9",NA,"C1=CC=C2C(=C1)NC(=N2)COC3=CC=C(C=C3)C(=O)NN","MXIDOEIMYNLTRM-UHFFFAOYSA-N",335810,NA,"PDBC22561","347197","Present",NA,NA
+"22562","4-(1H-Benzimidazol-2-ylmethylamino)benzenesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC57050",NA,"C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)S(=O)(=O)N.Cl","HZBLDPWRZOJEDK-UHFFFAOYSA-N",54609710,NA,"PDBC22562","57050","Present",NA,NA
+"22563","4-(1H-Benzimidazol-2-ylmethylamino)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Benzimidazol-2-ylmethylamino)phenol",NA,"C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)O","DSVPLVKBCWPGCD-UHFFFAOYSA-N",246675,NA,"PDBC22563","60042","Present",NA,NA
+"22564","4-(1H-Benzimidazol-2-ylsulfanyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Benzimidazol-2-ylsulfanyl)benzonitrile",NA,"C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(C=C3)C#N","KJUKPRZLQBZUQM-UHFFFAOYSA-N",366235,NA,"PDBC22564","634571","Present",NA,NA
+"22565","4-(1H-Benzimidazol-5-yldiazenyl)-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Benzimidazol-5-yldiazenyl)-N,N-dimethylaniline",NA,"CN(C)C1=CC=C(C=C1)N=NC2=CC3=C(C=C2)N=CN3","WFCWCGCKZSPYGF-UHFFFAOYSA-N",387089,NA,"PDBC22565","680480","Present",NA,NA
+"22566","4-(1H-Benzoimidazole-2-yl)-1,5-dimethyl-2-phenyl-1H-pyrazole-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Benzimidazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NC4=CC=CC=C4N3","KDLWGTLCWUJRBQ-UHFFFAOYSA-N",376346,NA,"PDBC22566","657178","Present",NA,NA
+"22567","4-(1H-Imidazol-2-ylmethyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z1171447846",NA,"C1COCCN1CC2=NC=CN2","AKCDXDJPRPTLCF-UHFFFAOYSA-N",272246,NA,"PDBC22567","116534","Present",NA,NA
+"22568","4-(1H-Imidazol-4-ylmethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Imidazol-4-ylmethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC22568","658474","Present",NA,NA
+"22569","4-(1H-Inden-1-ylidenemethyl)-N,N-dimethylbenzenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dabi",NA,"CN(C)C1=CC=C(C=C1)C=C2C=CC3=CC=CC=C32","HXVZHTQDVDNJMN-DTQAZKPQSA-N",5784745,NA,"PDBC22569","80087","Present",NA,NA
+"22570","4-(1H-Inden-1-ylidenemethyl)-N-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-toluidine, .alpha.-inden-1-ylidene-n-methyl- (8ci)",NA,"CNC1=CC=C(C=C1)C=C2C=CC3=CC=CC=C32","NGLDRQSSOKKORP-NTCAYCPXSA-N",6074315,NA,"PDBC22570","82013","Present",NA,NA
+"22571","4-(1H-Indol-3-yl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Indol-3-yl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC22571","658195","Present",NA,NA
+"22572","4-(1H-Indol-3-yl)-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-1-methyl-1H-pyrro...",NA,"CN1C=C(C2=C1N=CC=C2)C3=NC(=CS3)C4=CNC5=CC=CC=C54","SXTFGCNSCYKICW-UHFFFAOYSA-N",155806654,NA,"PDBC22572","778407","Present",NA,NA
+"22573","4-(1H-Indol-3-yl)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Indol-3-yl)-2-(3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid",NA,"CC1=NNC(=O)C1C(CC(=O)C2=CNC3=CC=CC=C32)C(=O)O","BORNQLUXTUACCC-UHFFFAOYSA-N",392028,NA,"PDBC22573","691827","Present",NA,NA
+"22574","4-(1H-Indol-3-yl)-6-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-thioxo-1,5-dihydropyrimidine-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Indol-3-yl)-6-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-sulfanylidene-1,5-dihydropyrimidine-6-carboxylic acid",NA,"CC1=NNC(=O)C1C2(CC(=NC(=S)N2)C3=CNC4=CC=CC=C43)C(=O)O","OMRBUQCXKBOHFV-UHFFFAOYSA-N",3005333,NA,"PDBC22574","691835","Present",NA,NA
+"22575","4-(1H-Perimidin-2-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Perimidin-2-yl)benzoic acid",NA,"C1=CC2=C3C(=C1)NC(=NC3=CC=C2)C4=CC=C(C=C4)C(=O)O","PJLAQXDJHWXDNA-UHFFFAOYSA-N",376317,NA,"PDBC22575","657130","Present",NA,NA
+"22576","4-(1H-Pyrrol-2-yl)-2,1,3-benzothiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(1h-Pyrrol-2-yl)-2,1,3-benzothiadiazole",NA,"C1=CC2=NSN=C2C(=C1)C3=CC=CN3","KAOSOERJKWLBPX-UHFFFAOYSA-N",396293,NA,"PDBC22576","701993","Present",NA,NA
+"22577","4-(1H-Pyrrol-3-yl)-7-(trifluoromethyl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Pyrrol-3-yl)-7-(trifluoromethyl)quinoline",NA,"C1=CC2=C(C=CN=C2C=C1C(F)(F)F)C3=CNC=C3","SKMUNTTVUSRNRM-UHFFFAOYSA-N",385632,NA,"PDBC22577","676978","Present",NA,NA
+"22578","4-(2'-Thienylidene amino)-6-benzylmercapto pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2'-Thienylidene amino)-6-benzylmercapto pyrazolo[3,4-...",NA,"C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N=CC4=CC=CS4","LDJLZRDHHGESEN-UHFFFAOYSA-N",406681,NA,"PDBC22578","724946","Present",NA,NA
+"22579","4-(2,2'-Bifuran-5-YL)benzamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766344",NA,"C1=COC(=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N","QVXIOHAOIPVCMZ-UHFFFAOYSA-N",76308400,NA,"PDBC22579","766344","Present",NA,NA
+"22580","4-(2,2'-Bithiophene-5-YL)benzamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766343",NA,"C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(C=C3)C(=N)N","ARXYEMXDDFWBIM-UHFFFAOYSA-N",76330116,NA,"PDBC22580","766343","Present",NA,NA
+"22581","4-(2,2-Dimethyl-1,1-dioxido-3-thietanyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVTXMNXXSOPOSG-UHFFFAOYSA-",NA,"CC1(C(CS1(=O)=O)N2CCOCC2)C","CVTXMNXXSOPOSG-UHFFFAOYSA-N",294138,NA,"PDBC22581","162113","Present",NA,NA
+"22582","4-(2,2-Dimethylpropanoyl)-N,N-diisopropyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,2-Dimethylpropanoyl)-N,N-diisopropyl-1-cubanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)C(C)(C)C","YJKKONRXSNODAR-UHFFFAOYSA-N",369200,NA,"PDBC22582","640906","Present",NA,NA
+"22583","4-(2,2-Diphenylvinyl)-5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,2-Diphenylvinyl)-5,6-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinoline",NA,"CN1CC(C2=C(C1)C=CC(=C2OC)OC)C=C(C3=CC=CC=C3)C4=CC=CC=C4","BMBANZRNVKDGHZ-UHFFFAOYSA-N",366914,NA,"PDBC22583","635976","Present",NA,NA
+"22584","4-(2,3,4,5-Tetrahydroxypentyl)piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Deoxy-1-(2,6-dioxo-4-piperidinyl)pentitol",NA,"C1C(CC(=O)NC1=O)CC(C(C(CO)O)O)O","GKIPNFRUEODSQW-UHFFFAOYSA-N",386083,NA,"PDBC22584","677673","Present",NA,NA
+"22585","4-(2,3,4-Trihydroxybutyl)piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,3,4-Trihydroxybutyl)piperidine-2,6-dione",NA,"C1C(CC(=O)NC1=O)CC(C(CO)O)O","JSSQSYVEYCBTSR-UHFFFAOYSA-N",386086,NA,"PDBC22585","677676","Present",NA,NA
+"22586","4-(2,3-Dihydro-1H-inden-4-yl)-2-methyl-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Anthra[1,2-b][1,4]diazepine-8,13-dione, 3,4-dihydro- ...",NA,"CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=CC=CC6=C5CCC6","YGUDWHLZWPTIDY-UHFFFAOYSA-N",367780,NA,"PDBC22586","637719","Present",NA,NA
+"22587","4-(2,4-Di-tert-butylphenoxy)phthalonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,4-Di-tert-butylphenoxy)phthalonitrile",NA,"CC(C)(C)C1=CC(=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N)C(C)(C)C","XJTCSBKFETZBSJ-UHFFFAOYSA-N",371803,NA,"PDBC22587","646248","Present",NA,NA
+"22588","4-(2,4-Diamino-6-imino-1,3,5-triazin-1-yl)benzenesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,6-Diamino-2-imino-1,3,5-triazin-1(2H)-yl)benzenesul...",NA,"C1=CC(=CC=C1N2C(=NC(=NC2=N)N)N)S(=O)(=O)N.Cl","QCTHIHRXPGZSLI-UHFFFAOYSA-N",54599166,NA,"PDBC22588","13572","Present",NA,NA
+"22589","4-(2,4-Dichloroanilino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,4-Dichloroanilino)-1,2-naphthalenedione",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=C(C=C(C=C3)Cl)Cl","MRGJCOYHWKNGKV-UHFFFAOYSA-N",367792,NA,"PDBC22589","637734","Present",NA,NA
+"22590","4-(2,4-Dichlorophenyl)-1,2-diphenylimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,4-Dichlorophenyl)-1,2-diphenylimidazole",NA,"C1=CC=C(C=C1)C2=NC(=CN2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl","NLRQMPIVZYANHK-UHFFFAOYSA-N",45029218,NA,"PDBC22590","745617","Present",NA,NA
+"22591","4-(2,4-Dichlorophenyl)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,4-Dichlorophenyl)-2-(3,4-dichlorophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=C(C=C(C=C3)Cl)Cl)C4=CC(=C(C=C4)Cl)Cl","DFEKIJNKYDAGJE-UHFFFAOYSA-N",367017,NA,"PDBC22591","636344","Present",NA,NA
+"22592","4-(2,4-Dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,4-Dichlorophenyl)-2-(3-nitrophenyl)-1-phenylimidazole",NA,"C1=CC=C(C=C1)N2C=C(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=C(C=C(C=C4)Cl)Cl","XYJKRNVSFUPPDP-UHFFFAOYSA-N",45029220,NA,"PDBC22592","745619","Present",NA,NA
+"22593","4-(2,4-Dihydroxyphenyl)-6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,4-Dihydroxyphenyl)-6-(4-methoxyphenyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=C(C=C(C=C3)O)O","RXYMZZBJGJGSPW-UHFFFAOYSA-N",403755,NA,"PDBC22593","719174","Present",NA,NA
+"22594","4-(2,4-Dimethoxyphenyl)-1-(4-methoxy-2-nitro-phenyl)-2-(p-tolyl)-4a,7a-dihydro-4h-furo[3,4-b]pyridine-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,4-Dimethoxyphenyl)-1-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)-4a,7a-dihydro-4H-furo[3,4-b]pyridine-5,7-dione",NA,"CC1=CC=C(C=C1)C2=CC(C3C(N2C4=C(C=C(C=C4)OC)[N+](=O)[O-])C(=O)OC3=O)C5=C(C=C(C=C5)OC)OC","SSRFGHWUEIOHSK-UHFFFAOYSA-N",392297,NA,"PDBC22594","692573","Present",NA,NA
+"22595","4-(2,4-Dinitrophenoxy)phenyl phenyl ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(2,4-Dinitro-phenoxy)-phenyl]-phenyl-methanone",NA,"C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","VARRMPLWXUVENV-UHFFFAOYSA-N",243231,NA,"PDBC22595","52583","Present",NA,NA
+"22596","4-(2,4-Dinitrophenyl)sulfanyl-2-hydroxy-5,5-dimethyl-1,2$l^{5}-oxaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2,4-Dinitrophenyl)sulfanyl]-5,5-dimethyl-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide",NA,"CC1(C(=CP(=O)(O1)O)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C","HNXFEYLFPPBENV-UHFFFAOYSA-N",380882,NA,"PDBC22596","666666","Present",NA,NA
+"22597","4-(2,4-Dinitrophenyl)sulfanylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 4-[(2,4-dinitrophenyl)thio]-",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SC2=NC=NC=C2","SLHSCOLZKJZFFU-UHFFFAOYSA-N",329304,NA,"PDBC22597","311068","Present",NA,NA
+"22598","4-(2,5-Dichloroanilino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,5-Dichloroanilino)-1,2-naphthalenedione",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=C(C=CC(=C3)Cl)Cl","ZJYOWIHKEJINCK-UHFFFAOYSA-N",367784,NA,"PDBC22598","637725","Present",NA,NA
+"22599","4-(2,5-Dimethoxyphenyl)-1-buten-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,5-Dimethoxyphenyl)-1-buten-4-ol",NA,"COC1=CC(=C(C=C1)OC)C(CC=C)O","AGAXPAIIUSYUCN-UHFFFAOYSA-N",358356,NA,"PDBC22599","618323","Present",NA,NA
+"22600","4-(2,5-Dimethoxyphenyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,5-Dimethoxyphenyl)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-1,6,8,10,12-pentaene-11,13-diamine",NA,"COC1=CC(=C(C=C1)OC)C2CC3=CN=C4C(=C3C2)C(=NC(=N4)N)N","YOLHTVAOHBQPOC-UHFFFAOYSA-N",402876,NA,"PDBC22600","717166","Present",NA,NA
+"22601","4-(2,5-Dimethylpyrrol-1-yl)-3-ethyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,5-Dimethylpyrrol-1-yl)-3-ethyl-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1N2C(=CC=C2C)C","IAEPBIXACNQAEC-UHFFFAOYSA-N",388869,NA,"PDBC22601","684062","Present",NA,NA
+"22602","4-(2,5-Dimethylpyrrol-1-yl)-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,5-Dimethylpyrrol-1-yl)-3-phenyl-1H-1,2,4-triazol-5-one",NA,"CC1=CC=C(N1N2C(=NNC2=O)C3=CC=CC=C3)C","XNWJCTPATXITRB-UHFFFAOYSA-N",388871,NA,"PDBC22602","684064","Present",NA,NA
+"22603","4-(2,6-Dichlorophenyl)-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,6-Dichlorophenyl)-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,"C1=CC(=C(C(=C1)Cl)C2C(=C(NC(=C2C#N)O)O)C#N)Cl","XWKMLKDLYVIPKU-UHFFFAOYSA-N",366850,NA,"PDBC22603","635827","Present",NA,NA
+"22604","4-(2,6-Dichlorophenylazo)-2-[(dimethylamino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,6-Dichlorophenylazo)-2-[(dimethylamino)methyl]phenol",NA,"CN(C)CC1=C(C=CC(=C1)N=NC2=C(C=CC=C2Cl)Cl)O","BDUAUGFOKGYKLY-UHFFFAOYSA-N",384365,NA,"PDBC22604","674075","Present",NA,NA
+"22605","4-(2,6-Diethylanilino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,6-Diethylanilino)-1,2-naphthalenedione",NA,"CCC1=C(C(=CC=C1)CC)NC2=CC(=O)C(=O)C3=CC=CC=C32","YCSOPLIBDXTWNT-UHFFFAOYSA-N",367786,NA,"PDBC22605","637728","Present",NA,NA
+"22606","4-(2,6-Diisopropylanilino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,6-Diisopropylanilino)-1,2-naphthalenedione",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC2=CC(=O)C(=O)C3=CC=CC=C32","LMNZTONKUYDHAJ-UHFFFAOYSA-N",369226,NA,"PDBC22606","640955","Present",NA,NA
+"22607","4-(2,6-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2,6-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol",NA,"CC1=C(C(=CC=C1)C)N=NC2=CC(=C(C=C2)O)CN(C)C","PBOOGLDTJWLDNA-UHFFFAOYSA-N",384369,NA,"PDBC22607","674079","Present",NA,NA
+"22608","4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(((6-Bromo-1,3-benzodioxol-5-yl)methyl)amino)ethyl)phenol",NA,"C1OC2=C(O1)C=C(C(=C2)CNCCC3=CC=C(C=C3)O)Br","QZNVRCIXEYLABT-UHFFFAOYSA-N",290548,NA,"PDBC22608","154572","Present",NA,NA
+"22609","4-(2-((10-((2-(4-Cyanophenoxy)ethyl)thio)decyl)thio)ethoxy)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-((10-((2-(4-Cyanophenoxy)ethyl)thio)decyl)thio)ethoxy)benzonitrile",NA,"C1=CC(=CC=C1C#N)OCCSCCCCCCCCCCSCCOC2=CC=C(C=C2)C#N","OBLSUCCAFJPIGO-UHFFFAOYSA-N",371302,NA,"PDBC22609","645376","Present",NA,NA
+"22610","4-(2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)phenyl)-2,4-dioxo-N-(3-(trifluoromethyl)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[(3,4-Dioxonaphthalen-1-yl)amino]phenyl]-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F","FMUSAQBCSGFOKE-UHFFFAOYSA-N",370946,NA,"PDBC22610","644751","Present",NA,NA
+"22611","4-(2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)phenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-((3,4-Dioxo-3,4-dihydro-1-naphthalenyl)amino)phenyl)-2,4-dioxobutanamide",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)N","GJVCIRAEJLQKJX-UHFFFAOYSA-N",369473,NA,"PDBC22611","641243","Present",NA,NA
+"22612","4-(2-((9-Oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-((9-Oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzenesulfonamide",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NNC4=CC=C(C=C4)S(=O)(=O)N","VPWINEMCRWFENM-UHFFFAOYSA-N",385776,NA,"PDBC22612","677170","Present",NA,NA
+"22613","4-(2-((9-Oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-((9-Oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzoic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NNC4=CC=C(C=C4)C(=O)O","HQYPQBFOWXSEAB-UHFFFAOYSA-N",385779,NA,"PDBC22613","677173","Present",NA,NA
+"22614","4-(2-((Aminothioxomethyl)amino)-2-azavinyl}-1-(methylsulfonyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-((Aminothioxomethyl)amino)-2-azavinyl}-1-(methylsulfonyl)benzene",NA,"CS(=O)(=O)C1=CC=C(C=C1)C=NNC(=S)N","WJYQUHHWXXMQPO-IZZDOVSWSA-N",5351726,NA,"PDBC22614","27063","Present",NA,NA
+"22615","4-(2-(1-((6-Hydroxy-4-methoxy-1-benzofuran-5-yl)carbonyl)-2-oxopropylidene)hydrazino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(1-((6-Hydroxy-4-methoxy-1-benzofuran-5-yl)carbonyl)-2-oxopropylidene)hydrazino)benzoic acid",NA,"CC(=O)C(=NNC1=CC=C(C=C1)C(=O)O)C(=O)C2=C(C3=C(C=C2O)OC=C3)OC","OYLAIYUAOKLGQO-OQKWZONESA-N",9571498,NA,"PDBC22615","673310","Present",NA,NA
+"22616","4-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzenesulfonamide",NA,"CN1C2=CC=CC=C2C(=NNC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C41","PNPHGMDIHLFNAQ-UHFFFAOYSA-N",385768,NA,"PDBC22616","677162","Present",NA,NA
+"22617","4-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(10-Methyl-9(10H)-acridinylidene)hydrazino)benzoic acid",NA,"CN1C2=CC=CC=C2C(=NNC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C41","UTGHFNMSBZNPNI-UHFFFAOYSA-N",385770,NA,"PDBC22617","677164","Present",NA,NA
+"22618","4-(2-(2,4-Dichlorophenyl)ethyl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2,4-Dichlorophenyl)ethyl)pyrimidine",NA,"C1=CC(=C(C=C1Cl)Cl)CCC2=NC=NC=C2","IRFKBVHFQGZLBI-UHFFFAOYSA-N",368166,NA,"PDBC22618","638584","Present",NA,NA
+"22619","4-(2-(2,4-Dimethyl-6-oxocyclohexyl)-2-hydroxyethyl)-1-phenyl-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2,4-Dimethyl-6-oxocyclohexyl)-2-hydroxyethyl)-1-phenyl-2,6-piperidinedione",NA,"CC1CC(C(C(=O)C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)C","BQTZQFAWZXWIHI-UHFFFAOYSA-N",359832,NA,"PDBC22619","621399","Present",NA,NA
+"22620","4-(2-(2,6-Dihydroxy-4-pyrimidinyl)hydrazino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2,6-Dihydroxy-4-pyrimidinyl)hydrazino)benzoic acid",NA,"C1=CC(=CC=C1C(=O)O)NNC2=CC(=O)NC(=O)N2","URVKFZCSTBIKKA-UHFFFAOYSA-N",385884,NA,"PDBC22620","677284","Present",NA,NA
+"22621","4-(2-(2,6-Dimethylanilino)-4-methyl-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2,6-Dimethylanilino)-4-methyl-1,3-thiazol-5-yl)-N-(3,4-dimethylphenyl)-2,4-dioxobutanamide",NA,"CC1=C(C(=CC=C1)C)NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=CC(=C(C=C3)C)C)C","GNZGKAVVRMTPNA-UHFFFAOYSA-N",376636,NA,"PDBC22621","657668","Present",NA,NA
+"22622","4-(2-(2-(1,3-Benzodioxol-5-yl)-3-((4-(2,6-diisopropylanilino)-4-oxobutanoyl)hydrazono)-2,3-dihydro-4H-chromen-4-ylidene)hydrazino)-N-(2-isobutyl-6-isopropylphenyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(Z)-[(3E)-2-(1,3-Benzodioxol-5-yl)-3-[[4-[2,6-di(propan-2-yl)anilino]-4-oxobutanoyl]hydrazinylidene]chromen-4-ylidene]amino]-N-[2-(2-methylpropyl)-6-propan-2-ylphenyl]butanediamide",NA,"CC(C)CC1=C(C(=CC=C1)C(C)C)NC(=O)CCC(=O)NN=C2C3=CC=CC=C3OC(C2=NNC(=O)CCC(=O)NC4=C(C=CC=C4C(C)C)C(C)C)C5=CC6=C(C=C5)OCO6","GOYJSRGDJJYCTP-YQPVVBDCSA-N",6411646,NA,"PDBC22622","641208","Present",NA,NA
+"22623","4-(2-(2-(Hydroxy(oxido)amino)anilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-Methyl-2-(2-nitroanilino)thiazol-5-yl]-N-(o-tolyl)-2,4-dioxo-butanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=CC=CC=C3[N+](=O)[O-])C","ZUXDZCZKZFJRGQ-UHFFFAOYSA-N",376635,NA,"PDBC22623","657666","Present",NA,NA
+"22624","4-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-N-(2,4-dimethoxyphenyl)-2-(methylhydrazono)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-4-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-N-(2,4-dimethoxyphenyl)-2-(methylhydrazinylidene)-4-oxobutanamide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)CC(=NNC)C(=O)NC2=C(C=C(C=C2)OC)OC","UZJXVBWYIUEEEI-OYKKKHCWSA-N",9571291,NA,"PDBC22624","641430","Present",NA,NA
+"22625","4-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-N-(4-ethoxyphenyl)-2,4-dioxobutanamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NNC(=O)C)C","BYXIQYXCBASOHQ-UHFFFAOYSA-N",369248,NA,"PDBC22625","640979","Present",NA,NA
+"22626","4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,"CC1=C(SC(=N1)NC2=CC=CC=C2Cl)C(=O)CC(=O)C(=O)N","AJPLHGQVYQXUJH-UHFFFAOYSA-N",376612,NA,"PDBC22626","657643","Present",NA,NA
+"22627","4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2,6-dichlorophenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2,6-dichlorophenyl)-2,4-dioxobutanamide",NA,"CC1=C(SC(=N1)NC2=CC=CC=C2Cl)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3Cl)Cl","FOEIRCFSFRBNNM-UHFFFAOYSA-N",377037,NA,"PDBC22627","658254","Present",NA,NA
+"22628","4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-2,4-dioxobutanamide",NA,"CCC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=CC=CC=C3Cl)C","ZVDCGYJMRRRQJW-UHFFFAOYSA-N",376639,NA,"PDBC22628","657671","Present",NA,NA
+"22629","4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2-Chloroanilino)-4-methyl-1,3-thiazol-5-yl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxobutanamide",NA,"CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=CC=CC=C3Cl)C","VWWYBFRPJMFIGY-UHFFFAOYSA-N",377043,NA,"PDBC22629","658259","Present",NA,NA
+"22630","4-(2-(2-Ethoxyanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxo-N-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2-Ethoxyanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxo-N-phenylbutanamide",NA,"CCOC1=CC=CC=C1NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=CC=CC=C3)C","AJZAVYCDDGFQHV-UHFFFAOYSA-N",368956,NA,"PDBC22630","640361","Present",NA,NA
+"22631","4-(2-(2-Methoxyphenyl)vinyl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline, 4-(o-methoxystyryl)-",NA,"COC1=CC=CC=C1C=CC2=CC=NC3=CC=CC=C23","TVEQIKQZPDKQKV-ZHACJKMWSA-N",5867402,NA,"PDBC22631","15783","Present",NA,NA
+"22632","4-(2-(2-Oxoindolin-3-ylidene)hydrazinylsulfonyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2-oxoindolin-3-ylidene)hydrazinylsulfonyl)benzoic ...",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NS(=O)(=O)C3=CC=C(C=C3)C(=O)O","XNZSQEXBCNZTSN-UHFFFAOYSA-N",281016,NA,"PDBC22632","133488","Present",NA,NA
+"22633","4-(2-(2-Phenoxathiinyl)ethanethioyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Phenoxathiin-2-ylethanethioyl)morpholine",NA,"C1COCCN1C(=S)CC2=CC3=C(C=C2)OC4=CC=CC=C4S3","LOEGMKXYDOIJSI-UHFFFAOYSA-N",392078,NA,"PDBC22633","691893","Present",NA,NA
+"22634","4-(2-(3,4,5-Trimethoxyphenyl)vinyl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC69604///NSC87197",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=NC3=CC=CC=C23","PAZAXHPAPRUCGE-CMDGGOBGSA-N",6285127,NA,"PDBC22634","69604///87197","Present",NA,NA
+"22635","4-(2-(3,4-Dichlorophenyl)-2-hydroxyethyl)-6-methyl-2-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(3,4-Dichlorophenyl)-2-hydroxyethyl)-6-methyl-2-pyrimidinol",NA,"CC1=CC(=NC(=O)N1)CC(C2=CC(=C(C=C2)Cl)Cl)O","VTHMDSFYHACDGJ-UHFFFAOYSA-N",366048,NA,"PDBC22635","634222","Present",NA,NA
+"22636","4-(2-(3,4-Dichlorophenyl)-2-hydroxyethyl)-6-phenyl-2-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(3,4-Dichlorophenyl)-2-hydroxyethyl)-6-phenyl-2-pyrimidinol",NA,"C1=CC=C(C=C1)C2=NC(=O)NC(=C2)CC(C3=CC(=C(C=C3)Cl)Cl)O","URBUFALGLHDPKQ-UHFFFAOYSA-N",365314,NA,"PDBC22636","632903","Present",NA,NA
+"22637","4-(2-(3,4-Dimethoxyphenyl)vinyl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A822229",NA,"COC1=C(C=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)OC","NFGZBGNIUGXLOT-VQHVLOKHSA-N",6184681,NA,"PDBC22637","64945","Present",NA,NA
+"22638","4-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-(2-methylphenyl)-2,4-dioxobutanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C","PUVDHTWYIKEPFV-UHFFFAOYSA-N",370951,NA,"PDBC22638","644756","Present",NA,NA
+"22639","4-(2-(4-((4-(((Amino(imino)methyl)amino)sulfonyl)anilino)carbonyl)-9-acridinyl)hydrazino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[4-[[4-(Carbamimidoylsulfamoyl)phenyl]carbamoyl]acridin-9-yl]hydrazino]benzoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NNC5=CC=C(C=C5)C(=O)O","BVTJJZCYSRSDES-UHFFFAOYSA-N",385786,NA,"PDBC22639","677180","Present",NA,NA
+"22640","4-(2-(4-(Dimethylamino)phenyl)vinyl)-8-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(4-(Dimethylamino)phenyl)vinyl)-8-quinolinol",NA,"CN(C)C1=CC=C(C=C1)C=CC2=C3C=CC=C(C3=NC=C2)O","OSSROFZTGSSYNR-RMKNXTFCSA-N",5868340,NA,"PDBC22640","240579","Present",NA,NA
+"22641","4-(2-(4-Chlorophenyl)-1,3-oxazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(4-Chlorophenyl)-1,3-oxazol-4-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=COC(=N3)C4=CC=C(C=C4)Cl","FROFRBFCUPXOOR-UHFFFAOYSA-N",373865,NA,"PDBC22641","650828","Present",NA,NA
+"22642","4-(2-(4-Chlorophenyl)-4,6-diimino-1,3,5-triazinan-1-yl)-N-(2-pyrimidinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,6-diamino-2-(4-chlorophenyl)-1,3,5-triazin-1(2H)-yl...",NA,"C1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)N3C(N=C(N=C3N)N)C4=CC=C(C=C4)Cl","XHNFAKQGACPDTB-UHFFFAOYSA-N",272646,NA,"PDBC22642","117269","Present",NA,NA
+"22643","4-(2-(4-Methoxyphenyl)ethynyl)-3-(3,5-trimethoxyphenyl)fur an-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(4-methoxyphenyl)ethynyl)-3-(3,4,5-trimethoxyphenyl...",NA,"COC1=CC=C(C=C1)C#CC2=C(C(=O)OC2)C3=CC(=C(C(=C3)OC)OC)OC","LBHUYUANCIPXDM-UHFFFAOYSA-N",24204189,NA,"PDBC22643","730946","Present",NA,NA
+"22644","4-(2-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)ethyl)-N-(6-(((4-(2-(5-amino-4-(aminocarbonyl)-1H-imidazol-1-yl)ethyl)-1-piperazinyl)carbonyl)amino)hexyl)-1-piperazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(5-Amino-4-carbamoylimidazol-1-yl)ethyl]-N-[6-[[4-[2-(5-amino-4-carbamoylimidazol-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide",NA,"C1CN(CCN1CCN2C=NC(=C2N)C(=O)N)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C=NC(=C4N)C(=O)N","QSDBISIRQOWICH-UHFFFAOYSA-N",362174,NA,"PDBC22644","625754","Present",NA,NA
+"22645","4-(2-(5-Tert-Butyl-2-oxocyclohexyl)-2-hydroxyethyl)-1-phenyl-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(5-Tert-Butyl-2-oxocyclohexyl)-2-hydroxyethyl)-1-phenyl-2,6-piperidinedione",NA,"CC(C)(C)C1CCC(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O","YBQSJYTUHRZVPN-UHFFFAOYSA-N",359833,NA,"PDBC22645","621400","Present",NA,NA
+"22646","4-(2-(7-Isopropyl-1-methyl-4-azulenyl)vinyl)-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(7-Isopropyl-1-methyl-4-azulenyl)vinyl)-N,N-dimethylaniline",NA,"CC1=C2C=C(C=CC(=C2C=C1)C=CC3=CC=C(C=C3)N(C)C)C(C)C","KQJFXUMXCAYMBT-JXMROGBWSA-N",5469112,NA,"PDBC22646","683331","Present",NA,NA
+"22647","4-(2-(9-Acridinyl)hydrazino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(9-Acridinyl)hydrazino)benzenesulfonamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC4=CC=C(C=C4)S(=O)(=O)N","AGBVAHJRHMWVAS-UHFFFAOYSA-N",385774,NA,"PDBC22647","677168","Present",NA,NA
+"22648","4-(2-(Aminocarbonyl)hydrazino)-2,3-dichloro-2-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(2-carbamoylhydrazino)-2,3-dichloro-but-2-enoic acid",NA,"C(C(=C(C(=O)O)Cl)Cl)NNC(=O)N","MVHCEQZFPSRLLL-NSCUHMNNSA-N",3004169,NA,"PDBC22648","634494","Present",NA,NA
+"22649","4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-2-hydrazono-N-(5-(hydroxy(oxido)amino)-2-methylphenyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-4-(2-Carbamothioyl-4-methyl-1,3-thiazol-5-yl)-2-hydrazinylidene-N-(2-methyl-5-nitrophenyl)-4-oxobutanamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=NN)CC(=O)C2=C(N=C(S2)C(=S)N)C","CKSJMDVUZWMVAE-NHDPSOOVSA-N",9571344,NA,"PDBC22649","646794","Present",NA,NA
+"22650","4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(2-(hydroxy(oxido)amino)phenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Carbamothioyl-4-methyl-thiazol-5-yl)-N-(2-nitrophenyl)-2,4-dioxo-butanamide",NA,"CC1=C(SC(=N1)C(=S)N)C(=O)CC(=O)C(=O)NC2=CC=CC=C2[N+](=O)[O-]","SGSFASHMCRHUPV-UHFFFAOYSA-N",3004342,NA,"PDBC22650","646795","Present",NA,NA
+"22651","4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(3-chloro-2-methylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(3-chloro-2-methylphenyl)-2,4-dioxobutanamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=O)CC(=O)C2=C(N=C(S2)C(=S)N)C","ZOEBERHGBBUXLX-UHFFFAOYSA-N",3004364,NA,"PDBC22651","648602","Present",NA,NA
+"22652","4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(3-chloro-2-methylphenyl)-2-hydrazono-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-4-(2-Carbamothioyl-4-methyl-1,3-thiazol-5-yl)-N-(3-chloro-2-methylphenyl)-2-hydrazinylidene-4-oxobutanamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=NN)CC(=O)C2=C(N=C(S2)C(=S)N)C","TVZHIGJHIWRIBM-JJFYIABZSA-N",9571366,NA,"PDBC22652","648650","Present",NA,NA
+"22653","4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(4-bromophenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(4-bromophenyl)-2,4-dioxobutanamide",NA,"CC1=C(SC(=N1)C(=S)N)C(=O)CC(=O)C(=O)NC2=CC=C(C=C2)Br","JQFUCAAOXUVBDX-UHFFFAOYSA-N",3004363,NA,"PDBC22653","648599","Present",NA,NA
+"22654","4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(4-chlorophenyl)-2-hydrazono-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-N-(4-chlorophenyl)-2-hydrazono-4-oxobutanamide",NA,"CC1=C(SC(=N1)C(=S)N)C(=O)CC(=NN)C(=O)NC2=CC=C(C=C2)Cl","BQWVJEBWXZCJSP-FBHDLOMBSA-N",6372911,NA,"PDBC22654","648638","Present",NA,NA
+"22655","4-(2-(Aminocarbothioyl)hydrazino)-N-(2,4-dichlorophenyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(Aminocarbothioyl)hydrazino)-N-(2,4-dichlorophenyl)-4-oxobutanamide",NA,"C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC(=O)NNC(=S)N","XDMHQPIYBWWYIA-UHFFFAOYSA-N",3004078,NA,"PDBC22655","625838","Present",NA,NA
+"22656","4-(2-(Benzyl(hydroxy)amino)ethyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(Benzyl(hydroxy)amino)ethyl)pyridine",NA,"C1=CC=C(C=C1)CN(CCC2=CC=NC=C2)O","DAZQDSHWDALZKB-UHFFFAOYSA-N",250865,NA,"PDBC22656","70818","Present",NA,NA
+"22657","4-(2-(Benzyloxy)-4-methoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(Benzyloxy)-4-methoxybenzylidene)-2-phenyl-1,3-oxazol-5(4H)-one",NA,"COC1=CC(=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)OCC4=CC=CC=C4","CBEAZKUTRQYCPU-STZFKDTASA-N",6450882,NA,"PDBC22657","262665","Present",NA,NA
+"22658","4-(2-(Benzylthio)ethyl)pyridine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC20207",NA,"C1=CC=C(C=C1)CSCCC2=CC=NC=C2.Cl","CTBDXUUHBWDLGJ-UHFFFAOYSA-N",210229,NA,"PDBC22658","20207","Present",NA,NA
+"22659","4-(2-(Carboxymethoxy)-5-methoxyphenyl)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(Carboxymethoxy)-5-methoxyphenyl)-4-oxobutanoic acid",NA,"COC1=CC(=C(C=C1)OCC(=O)O)C(=O)CCC(=O)O","FTMSDYIKJKPDQY-UHFFFAOYSA-N",361619,NA,"PDBC22659","624804","Present",NA,NA
+"22660","4-(2-(Ethylthio)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(Ethylthio)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)benzoic acid",NA,"CCSC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3=CC=C(C=C3)C(=O)O","HWXIYSHIOLVZBC-UHFFFAOYSA-N",374233,NA,"PDBC22660","651728","Present",NA,NA
+"22661","4-(2-(Hydroxy(oxido)amino)phenyl)-N~3~,N~5~-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3[N+](=O)[O-])C(=O)NC4=CC=CC=C4OC","ZJNJEOUPJKYYQJ-UHFFFAOYSA-N",365846,NA,"PDBC22661","633920","Present",NA,NA
+"22662","4-(2-Acetyl-2-morpholino-1-phenylethyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Morpholine, 1-acetyl-2-phenylethylene)di-",NA,"CC(=O)C(C(C1=CC=CC=C1)N2CCOCC2)N3CCOCC3","VXZFZOFWTCDDNB-UHFFFAOYSA-N",95378,NA,"PDBC22662","5477","Present",NA,NA
+"22663","4-(2-Adamantylamino)-2,3-dichloro-4-oxo-2-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(2-adamantylamino)-2,3-dichloro-4-oxo-but-2-enoic acid",NA,"C1C2CC3CC1CC(C2)C3NC(=O)C(=C(C(=O)O)Cl)Cl","RWRPBNNRVYGIDE-ZHACJKMWSA-N",3004009,NA,"PDBC22663","622412","Present",NA,NA
+"22664","4-(2-Adamantyloxy)-2,6-dichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Adamantyl 2,6-dichloro-4-pyrimidinyl ether",NA,"C1C2CC3CC1CC(C2)C3OC4=CC(=NC(=N4)Cl)Cl","PATBRHMGNOWNMR-UHFFFAOYSA-N",387543,NA,"PDBC22664","681453","Present",NA,NA
+"22665","4-(2-Amino-3-((2-hydroxy-1-(hydroxymethyl)ethyl)amino)-3-oxopropyl)phenylboronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Amino-3-((2-hydroxy-1-(hydroxymethyl)ethyl)amino)-3-oxopropyl)phenylboronic acid",NA,"B(C1=CC=C(C=C1)CC(C(=O)NC(CO)CO)N)(O)O","BTTUTOZTSAEMSC-UHFFFAOYSA-N",382435,NA,"PDBC22665","670000","Present",NA,NA
+"22666","4-(2-Amino-4-hydroxy-8-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Amino-4-hydroxy-8-oxo-6,8-dihydro-7H-pyrrolo[3,4-g]pteridin-7-yl)benzoic acid",NA,"C1C2=C(C(=O)N1C3=CC=C(C=C3)C(=O)O)N=C4C(=N2)C(=O)NC(=N4)N","HZFWDZURCMFJOM-UHFFFAOYSA-N",135432330,NA,"PDBC22666","152432","Present",NA,NA
+"22667","4-(2-Amino-5,6-diphenyl-pyrimidin-4-yl)-5,6-diphenyl-pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Amino-5,6-diphenyl-pyrimidin-4-yl)-5,6-diphenyl-pyrimidin-2-amine",NA,"C1=CC=C(C=C1)C2=C(N=C(N=C2C3=NC(=NC(=C3C4=CC=CC=C4)C5=CC=CC=C5)N)N)C6=CC=CC=C6","VIGCSNVHXHTHDG-UHFFFAOYSA-N",340857,NA,"PDBC22667","372046","Present",NA,NA
+"22668","4-(2-Amino-6-cyclopropyl-5-methyl-pyrimidin-4-yl)-6-cyclopropyl-5-methyl-pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Amino-6-cyclopropyl-5-methyl-pyrimidin-4-yl)-6-cyclopropyl-5-methyl-pyrimidin-2-amine",NA,"CC1=C(N=C(N=C1C2CC2)N)C3=C(C(=NC(=N3)N)C4CC4)C","BOPFLBXNGOUUFB-UHFFFAOYSA-N",340856,NA,"PDBC22668","372045","Present",NA,NA
+"22669","4-(2-Amino-6-naphthalen-1-yl-pyrimidin-4-yl)-6-naphthalen-1-yl-pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-di(naphthalen-1-yl)-4,4'-bipyrimidine-2,2'-diamine",NA,"C1=CC=C2C(=C1)C=CC=C2C3=CC(=NC(=N3)N)C4=NC(=NC(=C4)C5=CC=CC6=CC=CC=C65)N","YBUAALSUKVNQFM-UHFFFAOYSA-N",340795,NA,"PDBC22669","371876","Present",NA,NA
+"22670","4-(2-Amino-6-naphthalen-2-yl-pyrimidin-4-yl)-6-naphthalen-2-yl-pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-di(Naphthalen-2-yl)-4,4'-bipyrimidine-2,2'-diamine",NA,"C1=CC=C2C=C(C=CC2=C1)C3=CC(=NC(=N3)N)C4=NC(=NC(=C4)C5=CC6=CC=CC=C6C=C5)N","MWHBOCMKBJUAIM-UHFFFAOYSA-N",340797,NA,"PDBC22670","371878","Present",NA,NA
+"22671","4-(2-Amino-6-pyridin-3-yl-pyrimidin-4-yl)-6-pyridin-3-yl-pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Amino-6-pyridin-3-yl-pyrimidin-4-yl)-6-pyridin-3-yl-pyrimidin-2-amine",NA,"C1=CC(=CN=C1)C2=CC(=NC(=N2)N)C3=NC(=NC(=C3)C4=CN=CC=C4)N","ZINXVGZOQNHSCH-UHFFFAOYSA-N",340791,NA,"PDBC22671","371872","Present",NA,NA
+"22672","4-(2-Aminoethyl)benzenesulfonyl fluoride hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pefabloc SC",NA,"C1=CC(=CC=C1CCN)S(=O)(=O)F.Cl","WRDABNWSWOHGMS-UHFFFAOYSA-N",186136,NA,"PDBC22672","727364","Present",NA,NA
+"22673","4-(2-Aminoethyl)piperidin-4-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680482",NA,"C1CNCCC1(CCN)N.Cl","MTTSUKIQFHGIMD-UHFFFAOYSA-N",387091,NA,"PDBC22673","680482","Present",NA,NA
+"22674","4-(2-Aminophenyl)butyric Acid, Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC89250",NA,"C1=CC=C(C(=C1)CCCC(=O)O)N.Cl","CIFMHKRERKYNKL-UHFFFAOYSA-N",24189422,NA,"PDBC22674","89250","Present",NA,NA
+"22675","4-(2-Aminopropyl)benzoyl chloride;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Aminopropyl)benzoyl chloride;hydrochloride",NA,"CC(CC1=CC=C(C=C1)C(=O)Cl)N.Cl","XRHCEBJGXPRNRV-UHFFFAOYSA-N",24200620,NA,"PDBC22675","400148","Present",NA,NA
+"22676","4-(2-Anilino-4-methyl-1,3-thiazol-5-yl)-N-(2,6-diisopropylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Anilino-4-methyl-1,3-thiazol-5-yl)-N-(2,6-diisopropylphenyl)-2,4-dioxobutanamide",NA,"CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C","KYAWNUYEAQSZHJ-UHFFFAOYSA-N",367738,NA,"PDBC22676","637677","Present",NA,NA
+"22677","4-(2-Anilino-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Anilino-4-methyl-1,3-thiazol-5-yl)-N-(2-ethylphenyl)-2,4-dioxobutanamide",NA,"CCC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=CC=CC=C3)C","WAQXUMXDRYGYNF-UHFFFAOYSA-N",368955,NA,"PDBC22677","640360","Present",NA,NA
+"22678","4-(2-Anilino-6-chloro-7H-purin-7-yl)butyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Anilino-6-chloro-7H-purin-7-yl)butyl acetate",NA,"CC(=O)OCCCCN1C=NC2=C1C(=NC(=N2)NC3=CC=CC=C3)Cl","MHQKWEZMDYFJBE-UHFFFAOYSA-N",385890,NA,"PDBC22678","677291","Present",NA,NA
+"22679","4-(2-Anilino-6-chloropurin-9-yl)butyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NRBDNMCXPOHNPO-UHFFFAOYSA-N",NA,"CC(=O)OCCCCN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3","NRBDNMCXPOHNPO-UHFFFAOYSA-N",385891,NA,"PDBC22679","677292","Present",NA,NA
+"22680","4-(2-Benzoyl-4-chloroanilino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Benzoyl-4-chloroanilino)-1,2-naphthalenedione",NA,"C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC3=CC(=O)C(=O)C4=CC=CC=C43","FAXCSOIHOXMRFK-UHFFFAOYSA-N",369839,NA,"PDBC22680","642036","Present",NA,NA
+"22681","4-(2-Benzoylanilino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Benzoylanilino)-1,2-naphthalenedione",NA,"C1=CC=C(C=C1)C(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43","RGLSDDNPRPVLMO-UHFFFAOYSA-N",367785,NA,"PDBC22681","637726","Present",NA,NA
+"22682","4-(2-Benzyl-5-methyl-1,3-thiazol-4-yl)aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Benzyl-5-methyl-1,3-thiazol-4-yl)aniline;hydrochloride",NA,"CC1=C(N=C(S1)CC2=CC=CC=C2)C3=CC=C(C=C3)N.Cl","ZHDPIRPZZGBVKR-UHFFFAOYSA-N",24197991,NA,"PDBC22682","281616","Present",NA,NA
+"22683","4-(2-Benzyl-7-chloro-1,3-dioxo-5H-pyrrolo[3,4-b][1,4]benzoxazepin-4-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-benzyl-7-chloro-1,3-dioxo-2,3-dihydro-1H-benzo[f]py...",NA,"C1C2=C(C=CC(=C2)Cl)OC3=C(N1C4=CC=C(C=C4)C#N)C(=O)N(C3=O)CC5=CC=CC=C5","ZBUXINPTACJFQA-UHFFFAOYSA-N",155808802,NA,"PDBC22683","789278","Present",NA,NA
+"22684","4-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-5,4-dihydro-[1,2,4]triazepin-3-ylideneamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Benzylthio-4-chloro-5-methylbenzenesulfonyl)-5,7-di...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N3C(=CC(=NN=C3N)C)C","NDYWWIDREUJQAE-UHFFFAOYSA-N",24206087,NA,"PDBC22684","740024","Present",NA,NA
+"22685","4-(2-Bromoethylsulfanylmethyl)-7-methoxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Bromoethylsulfanylmethyl)-7-methoxychromen-2-one",NA,"COC1=CC2=C(C=C1)C(=CC(=O)O2)CSCCBr","OYKGVZVMWHCQEL-UHFFFAOYSA-N",326958,NA,"PDBC22685","299878","Present",NA,NA
+"22686","4-(2-Bromophenyl)-1,7-diphenyl-3,5-dimethyl-1,7-dihydrodipyrazolo[3,4-b:4',3'-e]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2-Bromophenyl)-6,10-dimethyl-4,12-diphenyl-2,4,5,11,12-pentazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene",NA,"CC1=NN(C2=NC3=C(C(=NN3C4=CC=CC=C4)C)C(=C12)C5=CC=CC=C5Br)C6=CC=CC=C6","JCZYUTUHWZUOLF-UHFFFAOYSA-N",396453,NA,"PDBC22686","702426","Present",NA,NA
+"22687","4-(2-Bromopropyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Bromopropyl)morpholine",NA,"CC(CN1CCOCC1)Br.Br","FTWHMILFFNJOLI-UHFFFAOYSA-N",24190443,NA,"PDBC22687","108708","Present",NA,NA
+"22688","4-(2-Carboxybenzoyl)phthalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-carboxybenzoyl)phthalic acid",NA,"C1=CC=C(C(=C1)C(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)O","HVFUYBNYHCZLSY-UHFFFAOYSA-N",231852,NA,"PDBC22688","28620","Present",NA,NA
+"22689","4-(2-Chloro-4-phenyl-buta-1,6-dimethyl-1,4-dihyd ro-pyridine-3,5-dicarboxylic dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chloro-4-phenyl-buta-1,3-dienyl)-2,6-dimethyl-1,4-d...",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C=C(C=CC2=CC=CC=C2)Cl)C(=O)OC","JBPYVMAOTDAEBV-ZBUTWXCBSA-N",24205334,NA,"PDBC22689","735168","Present",NA,NA
+"22690","4-(2-Chloroacetyl)-6,7-dimethyl-1,3-dihydroquinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Chloroacetyl)-6,7-dimethyl-3,4-dihydroquinoxalin-2(1h)-one",NA,"CC1=CC2=C(C=C1C)N(CC(=O)N2)C(=O)CCl","VSDDGURPBRNRLS-UHFFFAOYSA-N",283529,NA,"PDBC22690","138389","Present",NA,NA
+"22691","4-(2-Chlorobenzoyl)morpholin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorobenzoyl)morpholin-3-one",NA,"C1COCC(=O)N1C(=O)C2=CC=CC=C2Cl","KGHSBGOGOQEBPK-UHFFFAOYSA-N",386114,NA,"PDBC22691","677746","Present",NA,NA
+"22692","4-(2-Chloroimidazo[2,1-b]thiazol-6-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chloroimidazo[2,1-b][1,3]thiazol-6-yl)phenol",NA,"C1=CC(=CC=C1C2=CN3C=C(SC3=N2)Cl)O","VTUPXNINHAIJMA-UHFFFAOYSA-N",472921,NA,"PDBC22692","732200","Present",NA,NA
+"22693","4-(2-Chlorophenyl)-1,2-di(2-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-1,2-di(2-thienyl)-1,4-butanedione",NA,"C1=CC=C(C(=C1)C(=O)CC(C2=CC=CS2)C(=O)C3=CC=CS3)Cl","OFGQJXQGWLPUPY-UHFFFAOYSA-N",376716,NA,"PDBC22693","657762","Present",NA,NA
+"22694","4-(2-Chlorophenyl)-2-(4-(hydroxy(oxido)amino)phenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,"C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=CC=C3Cl)C4=CC=C(C=C4)[N+](=O)[O-]","LMZWRHWANKNGJC-UHFFFAOYSA-N",364775,NA,"PDBC22694","631534","Present",NA,NA
+"22695","4-(2-Chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-2-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine 1,1-dioxide",NA,"C1C(S(=O)(=O)C2=CC=CC=C2N=C1C3=CC=CC=C3Cl)C4=CC=C(C=C4)F","ZVVDRENJPFGHLM-UHFFFAOYSA-N",367599,NA,"PDBC22695","637431","Present",NA,NA
+"22696","4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3Cl)C4=CC=C(C=C4)[N+](=O)[O-]","BCKSPFQRKXHRMW-UHFFFAOYSA-N",359799,NA,"PDBC22696","621360","Present",NA,NA
+"22697","4-(2-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,"C1=CC=C(C(=C1)C2C3=C(C(=O)C4=CC=CC=C43)NC(=S)N2)Cl","KPERLSFMBAVGPA-UHFFFAOYSA-N",3001712,NA,"PDBC22697","641187","Present",NA,NA
+"22698","4-(2-Chlorophenyl)-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4OC","MZSRVBDQJHIKSP-UHFFFAOYSA-N",361077,NA,"PDBC22698","623882","Present",NA,NA
+"22699","4-(2-Chlorophenyl)-3-methoxy-1-methylsulfanylazetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-3-methoxy-1-(methylsulfanyl)azetidin-2-one",NA,"COC1C(N(C1=O)SC)C2=CC=CC=C2Cl","DOFBRCXRLYRBHR-UHFFFAOYSA-N",404547,NA,"PDBC22699","720794","Present",NA,NA
+"22700","4-(2-Chlorophenyl)-4-methyl-2,6-dioxo-3,5-piperidinedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-4-methyl-2,6-dioxo-3,5-piperidinedicarbonitrile",NA,"CC1(C(C(=O)NC(=O)C1C#N)C#N)C2=CC=CC=C2Cl","OKPLPGSFIVHOTL-UHFFFAOYSA-N",367028,NA,"PDBC22700","636355","Present",NA,NA
+"22701","4-(2-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl","DVHVBKOTRHCVSK-UHFFFAOYSA-N",24203841,NA,"PDBC22701","729777","Present",NA,NA
+"22702","4-(2-Chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-3,4,5,8,9,11-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2,5,7(12),8,10,13,15-octaen-10-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-N-[(E)-(4-methoxyphenyl)methylideneamino]-3,4,5,8,9,11-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2,5,7(12),8,10,13,15-octaen-10-amine",NA,"COC1=CC=C(C=C1)C=NNC2=NC3=C(C4=NN(N=C4C5=CC=CC=C53)C6=CC=CC=C6Cl)N=N2","PNOBACWLVQSCAR-MZJWZYIUSA-N",9556302,NA,"PDBC22702","690235","Present",NA,NA
+"22703","4-(2-Chlorophenyl)-N~3~,N~5~-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-3-N,5-N-bis(2,6-dimethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3Cl)C(=O)NC4=C(C=CC=C4C)C)C)C","ULRYCMBGUSZDEP-UHFFFAOYSA-N",367693,NA,"PDBC22703","637624","Present",NA,NA
+"22704","4-(2-Chlorophenyl)-N~3~,N~5~-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenyl)-N~3~,N~5~-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CCC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4CC)C)C","SXMVYMOYSIMGKW-UHFFFAOYSA-N",367733,NA,"PDBC22704","637672","Present",NA,NA
+"22705","4-(2-Chlorophenylazo)-2,6-bis[(dimethylamino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenylazo)-2,6-bis[(dimethylamino)methyl]phenol",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)N=NC2=CC=CC=C2Cl","NGJVZHSVHYZXGL-UHFFFAOYSA-N",384370,NA,"PDBC22705","674080","Present",NA,NA
+"22706","4-(2-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol",NA,"CN(C)CC1=C(C=CC(=C1)N=NC2=CC=CC=C2Cl)O","BCAAUQURENEARX-UHFFFAOYSA-N",384362,NA,"PDBC22706","674072","Present",NA,NA
+"22707","4-(2-Chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one",NA,"CC1=NN(C2=C1C(NC(=O)N2)C3=CC4=CC=CC=C4N=C3Cl)C5=CC=CC=C5","HPPCPJTYMWZFMQ-UHFFFAOYSA-N",403632,NA,"PDBC22707","718700","Present",NA,NA
+"22708","4-(2-Chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Chloroquinolin-3-yl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-6-thione",NA,"CC1=NN(C2=C1C(NC(=S)N2)C3=CC4=CC=CC=C4N=C3Cl)C5=CC=CC=C5","KBVJXKBUXYMZSF-UHFFFAOYSA-N",135426805,NA,"PDBC22708","718699","Present",NA,NA
+"22709","4-(2-Cyanoethyl)-4-(hydroxyamino)heptanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Cyanoethyl)-4-(hydroxyamino)heptanedinitrile",NA,"C(CC(CCC#N)(CCC#N)NO)C#N","BXCBJARXKZYQAU-UHFFFAOYSA-N",387078,NA,"PDBC22709","680469","Present",NA,NA
+"22710","4-(2-Cyanoethyl)-4-formylheptanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Cyanoethyl)-4-formylheptanedinitrile",NA,"C(CC(CCC#N)(CCC#N)C=O)C#N","RXSREDSJLRURFJ-UHFFFAOYSA-N",386844,NA,"PDBC22710","679578","Present",NA,NA
+"22711","4-(2-Diethoxyphosphoryl-3H-azepin-3-yl)-2-ethyl-5-phenyl-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Diethoxyphosphoryl-3H-azepin-3-yl)-2-ethyl-5-phenyl-1,2,4-triazol-3-one",NA,"CCN1C(=O)N(C(=N1)C2=CC=CC=C2)C3C=CC=CN=C3P(=O)(OCC)OCC","CYTHGQYKPZMCAD-UHFFFAOYSA-N",373103,NA,"PDBC22711","649045","Present",NA,NA
+"22712","4-(2-Dimethylamino-vinyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Dimethylamino-vinyl)pyridine",NA,"CN(C)C=CC1=CC=NC=C1","OWVFJYJLBSWYII-VMPITWQZSA-N",5469584,NA,"PDBC22712","690415","Present",NA,NA
+"22713","4-(2-Ethoxyethoxy)-2-[1-(2-ethoxyethoxy)but-3-enyl]-1-methoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Ethoxyethoxy)-2-[1-(2-ethoxyethoxy)but-3-enyl]-1-methoxybenzene",NA,"CCOCCOC1=CC(=C(C=C1)OC)C(CC=C)OCCOCC","FSOIDZVQCLPJGZ-UHFFFAOYSA-N",358354,NA,"PDBC22713","618321","Present",NA,NA
+"22714","4-(2-Ethylamino-1-hydroxyethyl)-2-nitroaniline, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Ethylamino-1-hydroxyethyl)-2-nitroaniline, hydrochl...",NA,"CCNCC(C1=CC(=C(C=C1)N)[N+](=O)[O-])O.Cl","CZCYUKXFVOYIFQ-UHFFFAOYSA-N",360897,NA,"PDBC22714","623607","Present",NA,NA
+"22715","4-(2-Fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-phenylbutanamide",NA,"C1=CC=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","DBBVNDGQANXYMF-UHFFFAOYSA-N",369246,NA,"PDBC22715","640977","Present",NA,NA
+"22716","4-(2-Fluorophenyl)-2,6-dimethyl-N~3~,N~5~-bis(3-(trifluoromethyl)phenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-2,6-dimethyl-3-N,5-N-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=CC=C3F)C(=O)NC4=CC=CC(=C4)C(F)(F)F","DJXQXGKPMPOSDK-UHFFFAOYSA-N",367678,NA,"PDBC22716","637609","Present",NA,NA
+"22717","4-(2-Fluorophenyl)-N-(2-isopropyl-6-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","YRDZXMGIXPRCGR-UHFFFAOYSA-N",369477,NA,"PDBC22717","641247","Present",NA,NA
+"22718","4-(2-Fluorophenyl)-N-(2-methoxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-N-(2-methoxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"COC1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","BWLOABWQSKIOGH-UHFFFAOYSA-N",369261,NA,"PDBC22718","640992","Present",NA,NA
+"22719","4-(2-Fluorophenyl)-N-(2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydroisobenz...",NA,"CC1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","QFSXPDAHYQZTCB-UHFFFAOYSA-N",369458,NA,"PDBC22719","641228","Present",NA,NA
+"22720","4-(2-Fluorophenyl)-N-(3-(hydroxy(oxido)amino)phenyl)-2,4-dioxo-3-(3-oxo-1,3,3a,7a-tetrahydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-N-(3-nitrophenyl)-2,4-dioxo-3-(3-oxo-3a,7a-dihydro-1H-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C(C(=C1)C(=O)C(C2C3C=CC=CC3C(=O)O2)C(=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-])F","ZPJRZGXHUHSGBE-UHFFFAOYSA-N",369256,NA,"PDBC22720","640987","Present",NA,NA
+"22721","4-(2-Fluorophenyl)-N-(3-hydroxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-N-(3-hydroxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC(=CC=C4)O","SPCIKAHTGSLSJS-UHFFFAOYSA-N",369244,NA,"PDBC22721","640975","Present",NA,NA
+"22722","4-(2-Fluorophenyl)-N-(3-methoxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-fluorophenyl)-N-(3-methoxyphenyl)-2,4-dioxo-3-(3-ox...",NA,"COC1=CC=CC(=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","XVKZYGZINCKONL-UHFFFAOYSA-N",369257,NA,"PDBC22722","640988","Present",NA,NA
+"22723","4-(2-Fluorophenyl)-N-(4-(hydroxy(oxido)amino)phenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-N-(4-nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","AXZLBPACMVJUEU-UHFFFAOYSA-N",369245,NA,"PDBC22723","640976","Present",NA,NA
+"22724","4-(2-Fluorophenyl)-N-(4-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-N-(4-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC=C(C=C4)F","ZYJQFBBLXRBNSA-UHFFFAOYSA-N",369247,NA,"PDBC22724","640978","Present",NA,NA
+"22725","4-(2-Fluorophenyl)-N-(5-(hydroxy(oxido)amino)-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-N-(2-methyl-5-nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","JMOOMEDXBBTHEC-UHFFFAOYSA-N",369258,NA,"PDBC22725","640989","Present",NA,NA
+"22726","4-(2-Fluorophenyl)-N-(6-(hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]","WVZLFXMXNBWPRY-UHFFFAOYSA-N",369249,NA,"PDBC22726","640980","Present",NA,NA
+"22727","4-(2-Fluorophenyl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Fluorophenyl)-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3F)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","AKZYHZVLRBBJSL-UHFFFAOYSA-N",367707,NA,"PDBC22727","637638","Present",NA,NA
+"22728","4-(2-Furyl)-1,2,6-trimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Furyl)-1,2,6-trimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(N(C(=C(C2C3=CC=CO3)C(=O)NC4=CC=CC=C4C)C)C)C","GJTVPKMVZKYNFP-UHFFFAOYSA-N",366294,NA,"PDBC22728","634645","Present",NA,NA
+"22729","4-(2-Furyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Furyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,"C1=COC(=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=CS3","KFXOCNYXQLATHQ-UHFFFAOYSA-N",395523,NA,"PDBC22729","700213","Present",NA,NA
+"22730","4-(2-Furyl)-2-hydroxy-6-(4-methoxyphenyl)nicotinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Furyl)-2-hydroxy-6-(4-methoxyphenyl)nicotinonitrile",NA,"COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CO3","HGUXLMZXVVZGIU-UHFFFAOYSA-N",368867,NA,"PDBC22730","640206","Present",NA,NA
+"22731","4-(2-Furyl)-2-mercapto-6-(4-methylphenyl)nicotinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Furyl)-2-mercapto-6-(4-methylphenyl)nicotinonitrile",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CO3","WXZMEJWVJQZWJT-UHFFFAOYSA-N",3005104,NA,"PDBC22731","671805","Present",NA,NA
+"22732","4-(2-Furyl)-3-imino-1-oxo-4,5,6,7,8,9-hexahydropyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Furyl)-3-imino-1-oxo-4,5,6,7,8,9-hexahydropyrrolo[3,4-c]quinoline-3a,9b-dicarbonitrile",NA,"C1CCC2=C(C1)C3(C(=O)N=C(C3(C(N2)C4=CC=CO4)C#N)N)C#N","XCSILLPYJWNBHH-UHFFFAOYSA-N",394333,NA,"PDBC22732","697702","Present",NA,NA
+"22733","4-(2-Furyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Furan-2-yl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile",NA,"C1=CC=C(C=C1)C2=CC(C(=C(N2C3C(C(C(C(O3)CO)O)O)O)S)C#N)C4=CC=CO4","UNJRKQHMCCKMSG-UHFFFAOYSA-N",385417,NA,"PDBC22733","676597","Present",NA,NA
+"22734","4-(2-Furyl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Furan-2-yl)-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CO3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","KCDYBKMBGMAQNS-UHFFFAOYSA-N",367674,NA,"PDBC22734","637605","Present",NA,NA
+"22735","4-(2-Furylmethylene)-2,2-dimethyl-1,3-cyclobutanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropylidene furfurylidene malonate",NA,"CC1(C(=O)C(=CC2=CC=CO2)C1=O)C","JGCDUDVBAZIFLD-UHFFFAOYSA-N",370263,NA,"PDBC22735","643037","Present",NA,NA
+"22736","4-(2-Hydroxy-2-(2-hydroxy-3-methylcyclohexyl)ethyl)-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-Hydroxy-2-(2-hydroxy-3-methylcyclohexyl)ethyl]piperidine-2,6-dione",NA,"CC1CCCC(C1O)C(CC2CC(=O)NC(=O)C2)O","QBQZXZIYUPVIFD-UHFFFAOYSA-N",278293,NA,"PDBC22736","127709","Present",NA,NA
+"22737","4-(2-Hydroxy-2-(3-methyl-2-oxocyclohexyl)ethyl)-1-phenyl-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxy-2-(3-methyl-2-oxocyclohexyl)ethyl)-1-phenyl-2,6-piperidinedione",NA,"CC1CCCC(C1=O)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O","RCZRBUNYNIOSQE-UHFFFAOYSA-N",359830,NA,"PDBC22737","621397","Present",NA,NA
+"22738","4-(2-Hydroxy-2-(5-methyl-2-oxocyclohexyl)ethyl)-1-phenyl-2,6-piperidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxy-2-(5-methyl-2-oxocyclohexyl)ethyl)-1-phenyl-2,6-piperidinedione",NA,"CC1CCC(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O","PLQNPRYILAJVAL-UHFFFAOYSA-N",359831,NA,"PDBC22738","621398","Present",NA,NA
+"22739","4-(2-Hydroxy-3-isopropoxypropoxy)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxy-3-isopropoxypropoxy)-2H-chromen-2-one",NA,"CC(C)OCC(COC1=CC(=O)OC2=CC=CC=C21)O","HIPFKIWMKRTPGR-UHFFFAOYSA-N",381519,NA,"PDBC22739","668275","Present",NA,NA
+"22740","4-(2-Hydroxy-3-methoxyphenyl)-2-methyl-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxy-3-methoxyphenyl)-2-methyl-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione",NA,"CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC(C1)C5=C(C(=CC=C5)OC)O","AUMDYKOUHUXDRR-UHFFFAOYSA-N",367781,NA,"PDBC22740","637720","Present",NA,NA
+"22741","4-(2-Hydroxy-5-methoxyphenyl)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NS-02771",NA,"COC1=CC(=C(C=C1)O)C(=O)CCC(=O)O","LKCLKCOWTYSINF-UHFFFAOYSA-N",361620,NA,"PDBC22741","624805","Present",NA,NA
+"22742","4-(2-Hydroxyethyl)-10-(3-methoxyphenyl)-3,6,7,8,10-hexahydro-1H-cyclopenta[g]furo[3,4-b]quinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-hydroxyethyl)-10-(3-methoxyphenyl)-3,4,6,7,8,10-hex...",NA,"COC1=CC=CC(=C1)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO","JVONZUTUVAVGPK-UHFFFAOYSA-N",50900823,NA,"PDBC22742","750719","Present",NA,NA
+"22743","4-(2-Hydroxyethyl)-10-phenyl-3,6,7,8,10-hexahydro-1H-cyclopenta[g]furo[3,4-b]quinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-hydroxyethyl)-10-phenyl-3,4,6,7,8,10-hexahydro-1H-c...",NA,"C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC=CC=C5)C(=O)OC4)CCO","ZKKWNFUBKHRUMT-UHFFFAOYSA-N",50900824,NA,"PDBC22743","750213","Present",NA,NA
+"22744","4-(2-Hydroxyethyl)-2-(4-hydroxy-5-(2-hydroxyethyl)-6-methyl-2-pyrimidinyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Hydroxyethyl)-2-[4-(2-hydroxyethyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]-4-methyl-1H-pyrimidin-6-one",NA,"CC1=C(C(=O)N(N1)C2=NC(=C(C(=O)N2)CCO)C)CCO","GXRKYIIJTLVTQI-UHFFFAOYSA-N",135409152,NA,"PDBC22744","660340","Present",NA,NA
+"22745","4-(2-Hydroxyethyl)-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxyethyl)-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2CCO)[N+](=O)[O-]","GDFFTURJILHSKS-UHFFFAOYSA-N",389500,NA,"PDBC22745","685786","Present",NA,NA
+"22746","4-(2-Hydroxyethyl)piperazinyl 9-[(4-{[(5-methylisoxazol-3-yl)amino]sulfonyl}phenyl)amino]acridin-4-yl ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO","VCOJUZCFHIIFDT-UHFFFAOYSA-N",370666,NA,"PDBC22746","644042","Present",NA,NA
+"22747","4-(2-Hydroxynaphthalen-1-yl)naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628930",NA,"C1=CC=C2C(=C1)C=CC(=C2C3=CC(=O)C(=O)C4=CC=CC=C43)O","CEFYNLRCBQRIBG-UHFFFAOYSA-N",265898,NA,"PDBC22747","628930","Present",NA,NA
+"22748","4-(2-Hydroxyphenyl)-1,1-diphenyl-3-buten-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxyphenyl)-1,1-diphenyl-3-buten-2-one",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3O","OUNXYUNDPLNWDU-FOCLMDBBSA-N",5779653,NA,"PDBC22748","636799","Present",NA,NA
+"22749","4-(2-Hydroxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3O)C(=O)NC4=CC=CC=C4C)C)C","GBOXQUZFMSMLSK-UHFFFAOYSA-N",365835,NA,"PDBC22749","633910","Present",NA,NA
+"22750","4-(2-Hydroxyphenyl)-2-phenyl-1-(2-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxyphenyl)-2-phenyl-1-thiophen-2-ylbutane-1,4-dione",NA,"C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2O)C(=O)C3=CC=CS3","JPGNCOUKNQQTIF-UHFFFAOYSA-N",395485,NA,"PDBC22750","700126","Present",NA,NA
+"22751","4-(2-Imino-7-methoxychromen-3-yl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-(3,5,5-trimethyl-2-pyrazolino)-6-(2-imino-7-me...",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C3=CC4=C(C=C(C=C4)OC)OC3=N","MZGWBIFLAYDIFL-UHFFFAOYSA-N",404409,NA,"PDBC22751","720625","Present",NA,NA
+"22752","4-(2-Iodo(methyl)anilino)-3-methyl-4-oxo-2-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Iodo(methyl)anilino)-3-methyl-4-oxo-2-butenoic acid",NA,"CC(=CC(=O)O)C(=O)N(C)C1=CC=CC=C1I","ZVHBWGUTGJPJDS-BQYQJAHWSA-N",5469950,NA,"PDBC22752","694678","Present",NA,NA
+"22753","4-(2-Methoxy-1,2-diphenylethyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Methoxy-1,2-diphenylethyl)morpholine",NA,"COC(C1=CC=CC=C1)C(C2=CC=CC=C2)N3CCOCC3","CSUHNZWAYJNJGC-UHFFFAOYSA-N",358999,NA,"PDBC22753","619211","Present",NA,NA
+"22754","4-(2-Methoxyethylamino)-2,3,4,9-tetrahydrocarbazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Methoxyethylamino)-2,3,4,9-tetrahydrocarbazol-1-one",NA,"COCCNC1CCC(=O)C2=C1C3=CC=CC=C3N2","GNUWKYIUQKLQTH-UHFFFAOYSA-N",385081,NA,"PDBC22754","676010","Present",NA,NA
+"22755","4-(2-Methyl-1,3-dithian-2-yl)dihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Methyl-1,3-dithian-2-yl)dihydro-2(3H)-furanone",NA,"CC1(SCCCS1)C2CC(=O)OC2","CLHPEMRNSBJEBR-UHFFFAOYSA-N",372640,NA,"PDBC22755","648094","Present",NA,NA
+"22756","4-(2-Methyl-1H-indol-3-yl)-1-phthalazinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Methyl-1H-indol-3-yl)-1-phthalazinol",NA,"CC1=C(C2=CC=CC=C2N1)C3=NNC(=O)C4=CC=CC=C43","GCFDQGJQJMBUTC-UHFFFAOYSA-N",362926,NA,"PDBC22756","627402","Present",NA,NA
+"22757","4-(2-Methyl-4-oxo-4H-quinazolin-3-ylamino)-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-Methyl-4-oxoquinazolin-3(4H)-yl)amino)benzoic acid",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC3=CC=C(C=C3)C(=O)O","HFQRTKIEGCNSTC-UHFFFAOYSA-N",361911,NA,"PDBC22757","625329","Present",NA,NA
+"22758","4-(2-Methylquinazoline-4-yl)-7-methoxy-3,4-dihydroquinoxaline-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-4-(7-methoxy-2-oxo-3,4-dihydroquinoxalin-4(1H)-...",NA,"CC1=NC2=CC=CC=C2C(=N1)N3CC(=O)NC4=C3C=CC(=C4)OC","LTTPRSPHFQPOMT-UHFFFAOYSA-N",71543088,NA,"PDBC22758","786094","Present",NA,NA
+"22759","4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=C(C=C5Cl)Cl)Cl","YFPQDFKNYCNEGQ-UHFFFAOYSA-N",369454,NA,"PDBC22759","641224","Present",NA,NA
+"22760","4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(3-(trifluoromethyl)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenebutanamide, alpha-,gamma-dioxo-beta-(3-oxo ...",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC(=C5)C(F)(F)F","DJZHPEBBJKDWBL-UHFFFAOYSA-N",369471,NA,"PDBC22760","641241","Present",NA,NA
+"22761","4-(2-Naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-N-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)butanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=NC(=S)NN5","VFDIEXPTWUSPAD-UHFFFAOYSA-N",3004261,NA,"PDBC22761","641251","Present",NA,NA
+"22762","4-(2-Naphthyl)-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Naphthyl)-2-phenyl-2,3,4,5-tetrahydro-1,5-benzothiazepine 1-oxide",NA,"C1C(NC2=CC=CC=C2S(=O)C1C3=CC=CC=C3)C4=CC5=CC=CC=C5C=C4","SHTAJSUELYBWCA-UHFFFAOYSA-N",364779,NA,"PDBC22762","631538","Present",NA,NA
+"22763","4-(2-Naphthyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Naphthyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5","OTNZACAMARWHAB-UHFFFAOYSA-N",359769,NA,"PDBC22763","621340","Present",NA,NA
+"22764","4-(2-Naphthyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Naphthyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,"C1C(S(=O)C2=CC=CC=C2N=C1C3=CC4=CC=CC=C4C=C3)C5=CC=CC=C5","ZFLFMNHRGOUSGK-UHFFFAOYSA-N",369427,NA,"PDBC22764","641197","Present",NA,NA
+"22765","4-(2-Naphthyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Naphthyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine",NA,"C1CNC(C2=C1NC=N2)C3=CC4=CC=CC=C4C=C3","WZHSWXWEOLPVRV-UHFFFAOYSA-N",368199,NA,"PDBC22765","638627","Present",NA,NA
+"22766","4-(2-Naphthylamino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_004495",NA,"C1=CC=C2C=C(C=CC2=C1)NC(=O)CCC(=O)O","LYNFOUMTFFAMAN-UHFFFAOYSA-N",224145,NA,"PDBC22766","12418","Present",NA,NA
+"22767","4-(2-Naphthylamino)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-oxinozon",NA,"C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)O","RACMGQBQYYWANW-UHFFFAOYSA-N",7141,NA,"PDBC22767","15372","Present",NA,NA
+"22768","4-(2-Nitroimidazol-1-yl)-N-[2-(2-nitroimidazol-1-yl)ethyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Nitroimidaozlyl)ethyl]-4-(2-nitroimidazolyl)buta...",NA,"C1=CN(C(=N1)[N+](=O)[O-])CCCC(=O)NCCN2C=CN=C2[N+](=O)[O-]","AEBYPBAGOZEPBI-UHFFFAOYSA-N",373386,NA,"PDBC22768","649613","Present",NA,NA
+"22769","4-(2-Nitroimidazol-1-yl)-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Nitroimidazol-1-yl)-N-[2-(3-nitro-1,2,4-triazol-1-yl)ethyl]butanamide",NA,"C1=CN(C(=N1)[N+](=O)[O-])CCCC(=O)NCCN2C=NC(=N2)[N+](=O)[O-]","TXWSPLWXNQNCAH-UHFFFAOYSA-N",372714,NA,"PDBC22769","648274","Present",NA,NA
+"22770","4-(2-Nitroimidazol-1-yl)-N-[2-(4-nitroimidazol-1-yl)ethyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Nitroimidazolyl)ethyl]-4-(2-nitroimidazolyl)buta...",NA,"C1=CN(C(=N1)[N+](=O)[O-])CCCC(=O)NCCN2C=C(N=C2)[N+](=O)[O-]","PHZOEJDOLMYIHZ-UHFFFAOYSA-N",373388,NA,"PDBC22770","649615","Present",NA,NA
+"22771","4-(2-Nitroimidazol-1-yl)-N-[2-(5-nitroimidazol-1-yl)ethyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Nitroimidazol-1-yl)-N-[2-(5-nitroimidazol-1-yl)ethyl]butanamide",NA,"C1=CN(C(=N1)[N+](=O)[O-])CCCC(=O)NCCN2C=NC=C2[N+](=O)[O-]","UPAXAMPOZYLHQR-UHFFFAOYSA-N",373900,NA,"PDBC22771","650907","Present",NA,NA
+"22772","4-(2-Nitrophenyl)sulfonylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Nitrophenyl)sulfonylbenzoic acid",NA,"C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)C(=O)O","IAEPEJKRZIOZHQ-UHFFFAOYSA-N",378893,NA,"PDBC22772","662301","Present",NA,NA
+"22773","4-(2-Oxido-1,3,2-dioxaphospholan-2-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Oxido-1,3,2-dioxaphospholan-2-yl)morpholine",NA,"C1COCCN1P2(=O)OCCO2","XNRNRZPJPOXWLY-UHFFFAOYSA-N",392967,NA,"PDBC22773","694210","Present",NA,NA
+"22774","4-(2-Oxo-2H-chromen-3-yl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK643725",NA,"CC(=O)OC1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O","HLOFWCHOMFXXRP-UHFFFAOYSA-N",384024,NA,"PDBC22774","673134","Present",NA,NA
+"22775","4-(2-Oxopropylidene)-1H,3H,5H-benzo[b]1,4-diazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Oxopropylidene)-1H,3H,5H-benzo[b]1,4-diazepin-2-one",NA,"CC(=O)C=C1CC(=O)NC2=CC=CC=C2N1","RCYMCAMDQNXWCC-RMKNXTFCSA-N",5387021,NA,"PDBC22775","619826","Present",NA,NA
+"22776","4-(2-Propynyloxy)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Prop-2-yn-1-yloxy)butanoic acid",NA,"C#CCOCCCC(=O)O","UJYCTVUDPGXFLI-UHFFFAOYSA-N",287936,NA,"PDBC22776","148230","Present",NA,NA
+"22777","4-(2-Pyridinyl)-1-piperazinecarbothioic acid, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC348977",NA,"CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=N3.Cl","IKTIHHRILHMURF-RANVTSCRSA-N",10248991,NA,"PDBC22777","348977","Present",NA,NA
+"22778","4-(2-Pyridinyl)-5H-1,3-dithiazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-pyridinyl)-5H-1,2,3-dithiazole-5-thione",NA,"C1=CC=NC(=C1)C2=NSSC2=S","ZUIAYOSSPICPCA-UHFFFAOYSA-N",25181424,NA,"PDBC22778","741898","Present",NA,NA
+"22779","4-(2-Pyridinyl)-N'-(1-(8-quinolinyl)ethylidene)-1-piperazinecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Pyridinyl)-N'-(1-(8-quinolinyl)ethylidene)-1-piperazinecarbothiohydrazide",NA,"CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=CC4=C3N=CC=C4","NGNGDVSSBXKDOU-LFVJCYFKSA-N",9554716,NA,"PDBC22779","363952","Present",NA,NA
+"22780","4-(2-Pyridinylmethyl)thiomorpholine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bionet2_000480",NA,"C1CS(=O)(=O)CCN1CC2=CC=CC=N2","QSMZTYDRYNBYDC-UHFFFAOYSA-N",318461,NA,"PDBC22780","255025","Present",NA,NA
+"22781","4-(2-Pyridylazo)-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pada",NA,"CN(C)C1=CC=C(C=C1)N=NC2=CC=CC=N2","IOJNPSPGHUEJAQ-UHFFFAOYSA-N",81528,NA,"PDBC22781","9358","Present",NA,NA
+"22782","4-(2-Pyridylazo)resorcinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(pyridin-2-yldiazenyl)benzene-1,3-diol",NA,"C1=CC=NC(=C1)N=NC2=C(C=C(C=C2)O)O","RJNYNDHYSJRRDW-UHFFFAOYSA-N",65069,NA,"PDBC22782","794455","Present",NA,NA
+"22783","4-(2-Sulfanylidene-5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidin-4-yl)-5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Sulfanylidene-5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidin-4-yl)-5,6,7,8,9,10,11,12,13,14-decahydro-1H-cyclododeca[d]pyrimidine-2-thione",NA,"C1CCCCCC2=C(CCCC1)C(=NC(=S)N2)C3=NC(=S)NC4=C3CCCCCCCCCC4","KNTDIFHAESKGMR-UHFFFAOYSA-N",3246674,NA,"PDBC22783","372060","Present",NA,NA
+"22784","4-(2-Tert-butylhydrazino)-5-nitro-2-phenyl-pyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Tert-butylhydrazino)-5-nitro-2-phenyl-pyridazin-3-one",NA,"CC(C)(C)NNC1=C(C=NN(C1=O)C2=CC=CC=C2)[N+](=O)[O-]","BKTPFPYSXRTFDI-UHFFFAOYSA-N",4585482,NA,"PDBC22784","641820","Present",NA,NA
+"22785","4-(2-Thiazolylazo)resorcinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VZ27697",NA,"C1=CC(=C(C=C1O)O)N=NC2=NC=CS2","SHNIKUXMZFPPCS-UHFFFAOYSA-N",75253,NA,"PDBC22785","298197","Present",NA,NA
+"22786","4-(2-Thienyl)-1,4,5,6,7,8-hexahydro-2H-3,1-benzothiazin-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Thienyl)-1,4,5,6,7,8-hexahydro-2H-3,1-benzothiazin-2-imine",NA,"C1CCC2=C(C1)C(SC(=N2)N)C3=CC=CS3","QBDGMOKSCKAVCS-UHFFFAOYSA-N",364669,NA,"PDBC22786","631299","Present",NA,NA
+"22787","4-(2-Thienyl)-2-thioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5,6-dihydrobenzo[f]isoquinoline-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678047///NSC678048",NA,"C1CC2=C(N(C(=S)C(=C2C3=CC=CC=C31)C#N)C4C(C(C(C(O4)CO)O)O)O)C5=CC=CS5","SIMXXVPFGGJRMS-UHFFFAOYSA-N",386290,NA,"PDBC22787","678047///678048","Present",NA,NA
+"22788","4-(2-Thienylmethyl)-3-thiophenecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"09QC6F66RZ",NA,"C1=CSC(=C1)CC2=CSC=C2C(=O)O","JZHLOTURPOOTRC-UHFFFAOYSA-N",288495,NA,"PDBC22788","149707","Present",NA,NA
+"22789","4-(2-Thioxo-1,3-benzothiazol-3(2H)-yl)-2-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Thioxo-1,3-benzothiazol-3(2H)-yl)-2-butanone",NA,"CC(=O)CCN1C2=CC=CC=C2SC1=S","NHEGPVDYHIPIKV-UHFFFAOYSA-N",376498,NA,"PDBC22789","657442","Present",NA,NA
+"22790","4-(3,4,4-Trichloro-1-morpholin-4-yl-2-nitrobuta-1,3-dienyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4,4-Trichloro-1-morpholin-4-yl-2-nitrobuta-1,3-dienyl)morpholine",NA,"C1COCCN1C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2CCOCC2","GCCKMFCEGDHXLQ-UHFFFAOYSA-N",379893,NA,"PDBC22790","665085","Present",NA,NA
+"22791","4-(3,4,5-Trihydroxyphenyl)-2(5H)-fur anone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-dihydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)-2(5H)...",NA,"C1C(=C(C(=O)O1)C2=CC(=C(C(=C2)O)O)O)C3=CC(=C(C=C3)O)O","AEHZEVFSVXFCIV-UHFFFAOYSA-N",10881608,NA,"PDBC22791","726247","Present",NA,NA
+"22792","4-(3,4,5-Trimethoxyphenyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-1,2,3-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-(3,4,5-trimeth...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNN=C2C3=CC4=C(C=C3)OCCO4","PMKMQVFQXFSHII-UHFFFAOYSA-N",59430385,NA,"PDBC22792","777407","Present",NA,NA
+"22793","4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-N-(2,4,5-trichlorophenyl)butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC(=C(C=C4Cl)Cl)Cl","JYMQPWGVQUZVFK-UHFFFAOYSA-N",370942,NA,"PDBC22793","644747","Present",NA,NA
+"22794","4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-N-(3-(trifluoromethyl)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-N-[3-(trifluoromethyl)phenyl]butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC=CC(=C4)C(F)(F)F","KFNAOMPDUGIGJS-UHFFFAOYSA-N",370988,NA,"PDBC22794","644794","Present",NA,NA
+"22795","4-(3,4-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dichlorophenyl)-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC(=C(C=C3)Cl)Cl)C(=O)NC4=CC=CC=C4C)C)C","PDVFDTUKIBBBPV-UHFFFAOYSA-N",365833,NA,"PDBC22795","633908","Present",NA,NA
+"22796","4-(3,4-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)NC4=CC=CC=C4","ITXYXQFUYZYHKQ-UHFFFAOYSA-N",366165,NA,"PDBC22796","634492","Present",NA,NA
+"22797","4-(3,4-Dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile (2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dichlorophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile",NA,"C1=CC(=C(C=C1C2C(C(=O)NC(=O)C2C#N)C#N)Cl)Cl","FKRWRZZGZMUCSG-UHFFFAOYSA-N",331439,NA,"PDBC22797","323918","Present",NA,NA
+"22798","4-(3,4-Dichlorophenyl)-2-(4-fluorophenyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dichlorophenyl)-2-(4-fluorophenyl)-4,5-dihydro-3H-anthra[1,2-b][1,4]diazepine-8,13-dione",NA,"C1C(NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)N=C1C5=CC=C(C=C5)F)C6=CC(=C(C=C6)Cl)Cl","KVXHCTRHRDGXCS-UHFFFAOYSA-N",369429,NA,"PDBC22798","641199","Present",NA,NA
+"22799","4-(3,4-Dichlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dichlorophenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine",NA,"CC1CC(=NC2=CC=CC=C2S1)C3=CC(=C(C=C3)Cl)Cl","UGIBDKTZOZBQLX-UHFFFAOYSA-N",367047,NA,"PDBC22799","636375","Present",NA,NA
+"22800","4-(3,4-Dichlorophenyl)-N-(3-hydroxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dichlorophenyl)-N-(3-hydroxyphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC(=CC=C4)O","ZPGSJKQHAAINEI-UHFFFAOYSA-N",370948,NA,"PDBC22800","644753","Present",NA,NA
+"22801","4-(3,4-Dichlorophenylazo)-2-[(dimethylamino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dichlorophenylazo)-2-[(dimethylamino)methyl]phenol",NA,"CN(C)CC1=C(C=CC(=C1)N=NC2=CC(=C(C=C2)Cl)Cl)O","OJWIYISCKKCUHB-UHFFFAOYSA-N",384373,NA,"PDBC22801","674082","Present",NA,NA
+"22802","4-(3,4-Diimino-1,6-diphenylhexahydropyrazolo[3,4-c]pyrazol-6a(1H)-yl)nicotinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Diimino-1,6-diphenylhexahydropyrazolo[3,4-c]pyrazol-6a(1H)-yl)nicotinic acid",NA,"C1=CC=C(C=C1)N2C3(C(C(=N2)N)C(=NN3C4=CC=CC=C4)N)C5=C(C=NC=C5)C(=O)O","VTPMRQTZEYVWBF-UHFFFAOYSA-N",389480,NA,"PDBC22802","685688","Present",NA,NA
+"22803","4-(3,4-Dimethoxybenzyl)-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dimethoxybenzyl)-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,"COC1=C(C=C(C=C1)CC2CC3=CC=CC=C3CC(=O)N2)OC","NISMXJKFRUYLNV-UHFFFAOYSA-N",390039,NA,"PDBC22803","686953","Present",NA,NA
+"22804","4-(3,4-Dimethoxyphenyl)-1-((3,4-dimethoxyphenyl)(hydroxy)methyl)-3-butynyl hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[1,5-Bis(3,4-dimethoxyphenyl)-1-hydroxypent-4-yn-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol",NA,"COC1=C(C=C(C=C1)C#CCC(C(C2=CC(=C(C=C2)OC)OC)O)OC3C(C(C(C(O3)CO)O)O)O)OC","IKIFYAWQFDKTCM-UHFFFAOYSA-N",367863,NA,"PDBC22804","638030","Present",NA,NA
+"22805","4-(3,4-Dimethoxyphenyl)-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dimethoxyphenyl)-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,"COC1=C(C=C(C=C1)C2C(=C(NC(=C2C#N)O)O)C#N)OC","YKERMBWCXWSFKR-UHFFFAOYSA-N",366845,NA,"PDBC22805","635822","Present",NA,NA
+"22806","4-(3,4-Dimethoxyphenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dimethoxyphenyl)-2-methyl-2,3-dihydro-1,5-benzothiazepine",NA,"CC1CC(=NC2=CC=CC=C2S1)C3=CC(=C(C=C3)OC)OC","VPZLURDTWPWZGJ-UHFFFAOYSA-N",367360,NA,"PDBC22806","636999","Present",NA,NA
+"22807","4-(3,4-Dimethoxyphenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Pyrido[3,2-d][2]benzazepin-6(7H)-one, 4-(3,4-dimethox...",NA,"COC1=C(C=C(C=C1)C2=CC(=NC3=C2CC(=O)NC4=CC=CC=C43)C5=CC=CC=C5)OC","SGZJSYXKEGHHMW-UHFFFAOYSA-N",388201,NA,"PDBC22807","682769","Present",NA,NA
+"22808","4-(3,4-Dimethoxyphenyl)-5-(benzo[b]thiophene-3-yl)-2H-1,2,3-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(benzo[b]thiophen-3-yl)-5-(3,4-dimethoxyphenyl)-2H-1,2...",NA,"COC1=C(C=C(C=C1)C2=NNN=C2C3=CSC4=CC=CC=C43)OC","SBLFWQKDQRUDID-UHFFFAOYSA-N",122372469,NA,"PDBC22808","781599","Present",NA,NA
+"22809","4-(3,4-Dimethylphenyl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABMVUAWFTZKZDV-UHFFFAOYSA-N",NA,"CC1=C(C=C(C=C1)CCCC(=O)O)C","ABMVUAWFTZKZDV-UHFFFAOYSA-N",231992,NA,"PDBC22809","28992","Present",NA,NA
+"22810","4-(3,4-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dimethylphenylazo)-2-[(dimethylamino)methyl]phenol",NA,"CC1=C(C=C(C=C1)N=NC2=CC(=C(C=C2)O)CN(C)C)C","HXPYFGPIBVNFIY-UHFFFAOYSA-N",384368,NA,"PDBC22810","674078","Present",NA,NA
+"22811","4-(3,5-Di-tert-butylphenoxy)phthalonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,5-Di-tert-butylphenoxy)phthalonitrile",NA,"CC(C)(C)C1=CC(=CC(=C1)OC2=CC(=C(C=C2)C#N)C#N)C(C)(C)C","YLBBICDJFMVMNR-UHFFFAOYSA-N",371802,NA,"PDBC22811","646247","Present",NA,NA
+"22812","4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxo-2-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxo-2-butenoic acid",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C=CC(=O)O","KGFHMFSOQMFJEI-KOJGVXFKSA-N",5386793,NA,"PDBC22812","617768","Present",NA,NA
+"22813","4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)CCC(=O)O","DLGHSYFVUXHNFI-IWGRKNQJSA-N",5387025,NA,"PDBC22813","619905","Present",NA,NA
+"22814","4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,5-Dibenzylidene-4-oxopiperidin-1-yl)-4-oxobutanoic acid methyl ester",NA,"COC(=O)CCC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","NNSMQURZKUOLIF-OZNQKUEASA-N",5387026,NA,"PDBC22814","619906","Present",NA,NA
+"22815","4-(3,5-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,5-Dichlorophenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC(=CC(=C3)Cl)Cl)C(=O)NC4=CC=CC=C4","SWULTTFXQXRFNC-UHFFFAOYSA-N",364807,NA,"PDBC22815","631565","Present",NA,NA
+"22816","4-(3,5-Dinitropyridin-2-yl)sulfanylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,5-Dinitropyridin-2-yl)sulfanylpyrimidine",NA,"C1=CN=CN=C1SC2=C(C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-]","DLXRYNHQBUMSAE-UHFFFAOYSA-N",100519,NA,"PDBC22816","311725","Present",NA,NA
+"22817","4-(3,5-Trimethoxyphenyl)-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4,5-trimethoxyphenyl)-1-3-[(E)-3-(3,4,5-trimethoxyp...",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC(=C(C(=C4)OC)OC)OC","ROYJLAPNOPZWGK-ZHACJKMWSA-N",49862041,NA,"PDBC22817","750331","Present",NA,NA
+"22818","4-(3,5-diamino-1h-pyrazol-4-ylazo)-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,5-diamino-1h-pyrazol-4-ylazo)-phenol",NA,"C1=CC(=CC=C1N=NC2=C(NN=C2N)N)O","AYZRKFOEZQBUEA-UHFFFAOYSA-N",135398514,NA,"PDBC22818","741614","Present",NA,NA
+"22819","4-(3-((2-((2-((1-Benzyl-2-hydrazino-2-oxoethyl)amino)-2-oxoethyl)amino)-1-methyl-2-oxoethyl)amino)-2-((tert-butoxycarbonyl)amino)-3-oxopropyl)phenyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[3-[[1-[[2-[(1-Hydrazinyl-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] benzoate",NA,"CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NN)NC(=O)C(CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C","YXJRICXAHUTPCI-UHFFFAOYSA-N",382345,NA,"PDBC22819","669814","Present",NA,NA
+"22820","4-(3-(4,2-Dimethyl-1,3,5-triazin-1(2H)-yl)benzamido)benzene-1-sulfonyl fluoride hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)be...",NA,"CC1(N=C(N=C(N1C2=CC=CC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C.Cl","UZAKGIYDWJJDBO-UHFFFAOYSA-N",456153,NA,"PDBC22820","113909","Present",NA,NA
+"22821","4-(3-(4-((2,2-Dimethylpropanoyl)oxy)phenyl)acryloyl)phenyl pivalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(4-((2,2-Dimethylpropanoyl)oxy)phenyl)acryloyl)phenyl pivalate",NA,"CC(C)(C)C(=O)OC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC(=O)C(C)(C)C","KONHQEPVIJRSJM-CXUHLZMHSA-N",5468262,NA,"PDBC22821","666765","Present",NA,NA
+"22822","4-(3-(4-Hydroxy-3-methoxyphenyl)-1H-pyrazol-4-yl)-N-(2-(hydroxy(oxido)amino)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(4-Hydroxy-3-methoxyphenyl)-1H-pyrazol-4-yl)-N-(2-(hydroxy(oxido)amino)phenyl)butanamide",NA,"COC1=C(C=CC(=C1)C2=C(C=NN2)CCCC(=O)NC3=CC=CC=C3[N+](=O)[O-])O","MXPQGXFDMKBWKG-UHFFFAOYSA-N",360348,NA,"PDBC22822","622396","Present",NA,NA
+"22823","4-(3-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)butoxy)-7H-furo[3,2-g]chromen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(5,5-Dimethyl-4-oxo-4,5-dihydro-2-furanyl)butoxy)-7H-furo[3,2-g]chromen-7-one",NA,"CC(CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C4=CC(=O)C(O4)(C)C","VNIZVGJYFGDOPC-UHFFFAOYSA-N",383709,NA,"PDBC22823","672135","Present",NA,NA
+"22824","4-(3-(8-(6-(4-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(8-(6-(4-Hydroxyphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)octyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol",NA,"C1=CC(=CC=C1C2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)C6=CC=C(C=C6)O)O","AQGMQVSZDGRING-UHFFFAOYSA-N",395666,NA,"PDBC22824","700448","Present",NA,NA
+"22825","4-(3-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-phenylbutanamide",NA,"C1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]","NXDWXBACIUIESD-UHFFFAOYSA-N",364945,NA,"PDBC22825","631831","Present",NA,NA
+"22826","4-(3-(Hydroxy(oxido)amino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-3-N,5-N-bis(4-methylphenyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)C)C)C","AISLSFVIKGFDPP-UHFFFAOYSA-N",367775,NA,"PDBC22826","637714","Present",NA,NA
+"22827","4-(3-(Hydroxy(oxido)amino)phenyl)-2,6-dimethyl-N~3~-(2-(trifluoromethyl)phenyl)-N~5~-(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-4-(3-nitrophenyl)-3-N-[2-(trifluoromethyl)phenyl]-5-N-(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4C(F)(F)F","SBJTZNGUVJEMCI-UHFFFAOYSA-N",367688,NA,"PDBC22827","637619","Present",NA,NA
+"22828","4-(3-(Hydroxy(oxido)amino)phenyl)-6-imino-1-isonicotinoyl-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl- 4-(3-n...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=NC=C4","JDOXJLFDSKNDBS-UHFFFAOYSA-N",376866,NA,"PDBC22828","657985","Present",NA,NA
+"22829","4-(3-(Hydroxy(oxido)amino)phenyl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-4-(3-nitrophenyl)-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","DOZNTYBHQGVLNT-UHFFFAOYSA-N",367764,NA,"PDBC22829","637703","Present",NA,NA
+"22830","4-(3-(Isopropoxycarbonyl)-3-isopropyl-2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(Isopropoxycarbonyl)-3-isopropyl-2,3-dihydro-1H-inden-5-yl)-4-oxobutanoic acid",NA,"CC(C)C1(CCC2=C1C=C(C=C2)C(=O)CCC(=O)O)C(=O)OC(C)C","SEASYCNKXATQIM-UHFFFAOYSA-N",380771,NA,"PDBC22830","666481","Present",NA,NA
+"22831","4-(3-(Methyl(3-(2-(pyren-1-yl)acetamido)propyl)ammonio)propylamino)-2-(naphthalen-2-yl)quinolinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(methyl(3-(2-(pyren-1-yl)acetamido)propyl)ammonio)p...",NA,"CN(CCCNC1=CC(=NC2=CC=CC=C21)C3=CC4=CC=CC=C4C=C3)CCCNC(=O)CC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5.Br","CZUMJNCEYFYERH-UHFFFAOYSA-N",54613691,NA,"PDBC22831","749672","Present",NA,NA
+"22832","4-(3-Amino-2-thienyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Amino-2-thienyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C3=C(C=CS3)N","UJMSNGZNLGSIND-UHFFFAOYSA-N",397063,NA,"PDBC22832","704347","Present",NA,NA
+"22833","4-(3-Amino-3-oxopropyl)-4-nitroheptanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Amino-3-oxopropyl)-4-nitroheptanediamide",NA,"C(CC(CCC(=O)N)(CCC(=O)N)[N+](=O)[O-])C(=O)N","LVCNPMHPTHQPPD-UHFFFAOYSA-N",387107,NA,"PDBC22833","680503","Present",NA,NA
+"22834","4-(3-Anilino-5-methyl-4-((4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)diazenyl)-1H-pyrazol-1-yl)-N-(4-pyrimidinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[3-Anilino-5-methyl-1-[4-(pyrimidin-4-ylsulfamoyl)phenyl]pyrazol-4-yl]diazenyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N(N=C3NC4=CC=CC=C4)C5=CC=C(C=C5)S(=O)(=O)NC6=NC=NC=C6)C","ZKACPEZNSSVIGA-UHFFFAOYSA-N",392007,NA,"PDBC22834","691806","Present",NA,NA
+"22835","4-(3-Benzyl-4,9-dioxobenzo[f]benzimidazol-2-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Benzyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)butanoic acid",NA,"C1=CC=C(C=C1)CN2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCCC(=O)O","YUPPFNMPLOTOGI-UHFFFAOYSA-N",382880,NA,"PDBC22835","670757","Present",NA,NA
+"22836","4-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanyldiazinane-3,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]tetrahydropyridazine-3,6-dione",NA,"C1C(C(=O)NNC1=O)SC2=NC3=C(C=C(C=C3)I)C(=O)N2CC4=CC=CC=C4","VDOVNXNVLFLZKM-UHFFFAOYSA-N",402050,NA,"PDBC22836","715745","Present",NA,NA
+"22837","4-(3-Bromoanilino)-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Bromophenyl)amino]-6,8-dihydro-5h-benzothiopheno[2,3-d]pyrimidin-7-one",NA,"C1CC2=C(CC1=O)SC3=NC=NC(=C23)NC4=CC(=CC=C4)Br","ZFINZRABKPXRDG-UHFFFAOYSA-N",396715,NA,"PDBC22837","703324","Present",NA,NA
+"22838","4-(3-Bromoanilino)naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Bromophenyl)amino]naphthalene-1,2-dione",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC(=CC=C3)Br","SYFXQNRVMLCRPZ-UHFFFAOYSA-N",272559,NA,"PDBC22838","117015","Present",NA,NA
+"22839","4-(3-Bromophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Bromophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one",NA,"CC1=CC(=C(C=C1)O)C2=CC3=NNC(=O)C3C(C2)C4=CC(=CC=C4)Br","GVBRBUVRHJSWLW-UHFFFAOYSA-N",403652,NA,"PDBC22839","718720","Present",NA,NA
+"22840","4-(3-Bromophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydroindazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Bromophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydro-3h-indazol-3-one",NA,"C1C(C2C(=NNC2=O)C=C1C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br","VILJUNOYFPAACM-UHFFFAOYSA-N",403651,NA,"PDBC22840","718719","Present",NA,NA
+"22841","4-(3-Carboxy-quinoxalin-2-yl)-oxyphenylacetyl acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-carboxy-quinoxalin-2-yl)-oxyphenylacetyl acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)OC3=CC=C(C=C3)CC(=O)O)C(=O)O","ZIZCJUGHKARBLM-UHFFFAOYSA-N",405748,NA,"PDBC22841","723322","Present",NA,NA
+"22842","4-(3-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,"C1=CC=C2C(=C1)C3=C(C2=O)NC(=S)NC3C4=CC(=CC=C4)Cl","AHJDWGICCNYELV-UHFFFAOYSA-N",3001710,NA,"PDBC22842","641181","Present",NA,NA
+"22843","4-(3-Chlorophenyl)-3-thiosemicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cptsc",NA,"C1=CC(=CC(=C1)Cl)NC(=S)NN","YUSLJYYTYKWSHL-UHFFFAOYSA-N",707050,NA,"PDBC22843","132373","Present",NA,NA
+"22844","4-(3-Chlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Chlorophenyl)-6-(2-hydroxy-5-methylphenyl)-2,3a,4,5-tetrahydroindazol-3-one",NA,"CC1=CC(=C(C=C1)O)C2=CC3=NNC(=O)C3C(C2)C4=CC(=CC=C4)Cl","MVTXBXOUQKHDCY-UHFFFAOYSA-N",403641,NA,"PDBC22844","718709","Present",NA,NA
+"22845","4-(3-Chlorophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydroindazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Chlorophenyl)-6-(4-chlorophenyl)-2,3a,4,5-tetrahydro-3h-indazol-3-one",NA,"C1C(C2C(=NNC2=O)C=C1C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Cl","NEFBVFIRHDIGMR-UHFFFAOYSA-N",403640,NA,"PDBC22845","718708","Present",NA,NA
+"22846","4-(3-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl","FBIRJRUUDIMELI-UHFFFAOYSA-N",24203845,NA,"PDBC22846","729781","Present",NA,NA
+"22847","4-(3-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Chlorophenyl)-N-(3,4-dichlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl","JLNLXMDMJCOELG-UHFFFAOYSA-N",24203775,NA,"PDBC22847","729476","Present",NA,NA
+"22848","4-(3-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol",NA,"CN(C)CC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)Cl)O","BGXQXXGWRMMVPZ-UHFFFAOYSA-N",384363,NA,"PDBC22848","674073","Present",NA,NA
+"22849","4-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Diethylaminopropylamino)-5-methyl-6H-pyridazino[4,5...",NA,"CCN(CC)CCCNC1=C2C(=C3C(=C4C=CC=CC4=N3)C=C2C=NN1)C","GOSNSUDBFLXOEB-UHFFFAOYSA-N",393110,NA,"PDBC22849","694498","Present",NA,NA
+"22850","4-(3-Hydroxy-4-methyltetrahydro-2-furanyl)-1H-pyrazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Hydroxy-4-methyltetrahydro-2-furanyl)-1H-pyrazole-5-carboxamide",NA,"CC1COC(C1O)C2=C(NN=C2)C(=O)N","WIMCSOBDEKGVSG-UHFFFAOYSA-N",354381,NA,"PDBC22850","606026","Present",NA,NA
+"22851","4-(3-Hydroxy-5-(4-methoxybenzyl)-6-(4-methylphenyl)-4-pyridazinyl)-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-Hydroxy-5-[(4-methoxyphenyl)methyl]-6-(p-tolyl)pyridazin-4-yl]-2,5-diphenyl-4H-pyrazol-3-one",NA,"CC1=CC=C(C=C1)C2=NNC(=O)C(=C2CC3=CC=C(C=C3)OC)C4C(=NN(C4=O)C5=CC=CC=C5)C6=CC=CC=C6","DGPNAGOQMBQMMR-UHFFFAOYSA-N",381565,NA,"PDBC22851","668354","Present",NA,NA
+"22852","4-(3-Hydroxybenzoyl)dihydro-2,3-furandione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Hydroxybenzoyl)dihydro-2,3-furandione",NA,"C1C(C(=O)C(=O)O1)C(=O)C2=CC(=CC=C2)O","RDKHDLPQRQQJRO-UHFFFAOYSA-N",366924,NA,"PDBC22852","636088","Present",NA,NA
+"22853","4-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-4-oxo-N-(3-(trifluoromethyl)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Imino-5-oxo-1-phenyl-4-pyrazolidinyl)-4-oxo-N-(3-(trifluoromethyl)phenyl)butanamide",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F","MJCNCWNBFJHLRO-UHFFFAOYSA-N",364931,NA,"PDBC22853","631817","Present",NA,NA
+"22854","4-(3-Iodo-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-iodo-4-methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyp...",NA,"COC1=C(C=C(C=C1)C2C(C(=O)N2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)I","GQLZEGISXUQXLP-UHFFFAOYSA-N",155811936,NA,"PDBC22854","792957","Present",NA,NA
+"22855","4-(3-Methoxybenzyl)-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methoxybenzyl)-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",NA,"COC1=CC=CC(=C1)CC2CC3=CC=CC=C3CC(=O)N2","YYGHAFWEGACSOK-UHFFFAOYSA-N",392597,NA,"PDBC22855","693140","Present",NA,NA
+"22856","4-(3-Methoxybenzylidene)-5-methyl-2-(phenylacetyl)-2,4-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methoxybenzylidene)-5-methyl-2-(phenylacetyl)-2,4-dihydro-3H-pyrazol-3-one",NA,"CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OC)C(=O)CC3=CC=CC=C3","QXBSOYGWZPWBRH-PDGQHHTCSA-N",5467438,NA,"PDBC22856","652204","Present",NA,NA
+"22857","4-(3-Methoxyphenyl)-3-methyl-1-(phenylacetyl)-4,7-dihydropyrazolo[3,4-d][1,3]thiazin-6(1H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-1- (phe...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)OC)C(=O)CC4=CC=CC=C4","KJLLWYMQZCLADK-UHFFFAOYSA-N",376462,NA,"PDBC22857","657376","Present",NA,NA
+"22858","4-(3-Methyl-1,4-dioxidoquinoxalin-2-yl)-N-(4-methylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-1,4-dioxidoquinoxalin-2-yl)-N-(4-methylphenyl)-2,4-dioxobutanamide",NA,"CC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","PUQRCJXHWPCFHY-UHFFFAOYSA-N",364315,NA,"PDBC22858","630333","Present",NA,NA
+"22859","4-(3-Methyl-1-benzothien-2-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-1-benzothien-2-yl)-2,3,4,5-tetrahydro-1,5-benzothiazepine",NA,"CC1=C(SC2=CC=CC=C12)C3CCSC4=CC=CC=C4N3","JDYSYXHOCWYBBL-UHFFFAOYSA-N",376280,NA,"PDBC22859","656994","Present",NA,NA
+"22860","4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[2-(trifluoromethyl)phenyl]butanamide",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC=CC=C3C(F)(F)F","JFOHRKPZPBUCKX-UHFFFAOYSA-N",364310,NA,"PDBC22860","630328","Present",NA,NA
+"22861","4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]butanamide",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F","GMENEGNMIFTQKH-UHFFFAOYSA-N",364337,NA,"PDBC22861","630352","Present",NA,NA
+"22862","4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methyl-6-propan-2-ylphenyl)-2,4-dioxobutanamide",NA,"CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","ICJVDDUMKKDRHG-UHFFFAOYSA-N",364338,NA,"PDBC22862","630353","Present",NA,NA
+"22863","4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","ZHRXTRYEPZZNGQ-UHFFFAOYSA-N",367752,NA,"PDBC22863","637691","Present",NA,NA
+"22864","4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-(2-(trifluoromethyl)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-(2-(trifluoromethyl)phenyl)butanamide",NA,"CC1=C(SC2=CC=CC=C2N1)C(=O)CC(=O)C(=O)NC3=CC=CC=C3C(F)(F)F","QSLYFLOUBRBPPU-UHFFFAOYSA-N",360993,NA,"PDBC22864","623725","Present",NA,NA
+"22865","4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxo-N-phenylbutanamide",NA,"CC1=C(SC2=CC=CC=C2N1)C(=O)CC(=O)C(=O)NC3=CC=CC=C3","WAUONNIQZHLJNX-UHFFFAOYSA-N",366676,NA,"PDBC22865","635393","Present",NA,NA
+"22866","4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-4H-1,4-benzothiazin-2-yl)-N-(2-methylphenyl)-2,4-dioxobutanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","ZSMZNLSBPTYCIF-UHFFFAOYSA-N",366971,NA,"PDBC22866","636133","Present",NA,NA
+"22867","4-(3-Methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-imidazo[4,5-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-imidazo[4,5-d]pyridazine",NA,"CN1C=NC(=C1SC2=C3C(=CN=N2)NC=N3)[N+](=O)[O-]","SZNHZVMZRNSWNG-UHFFFAOYSA-N",5469592,NA,"PDBC22867","690581","Present",NA,NA
+"22868","4-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylazo)-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-ylazo)-benzenesulfonamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3","TZERFUCXCBLOGZ-UHFFFAOYSA-N",271030,NA,"PDBC22868","114414","Present",NA,NA
+"22869","4-(3-Methylmorpholin-4-yl)but-2-ynyl 2-oxochromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Methylmorpholin-4-yl)but-2-ynyl 2-oxochromene-3-carboxylate",NA,"CC1COCCN1CC#CCOC(=O)C2=CC3=CC=CC=C3OC2=O","XVEZHVVHHBJUAO-UHFFFAOYSA-N",45027951,NA,"PDBC22869","740250","Present",NA,NA
+"22870","4-(3-Nitro-2-bicyclo[2.2.1]hept-5-enyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Nitro-2-bicyclo[2.2.1]hept-5-enyl)benzoic acid",NA,"C1C2C=CC1C(C2C3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]","DLPJQIWPJSUYRD-UHFFFAOYSA-N",370365,NA,"PDBC22870","643428","Present",NA,NA
+"22871","4-(3-Nitro-phenyl)-N-(4-nitro-thiazol-2-yl)-2,4-dioxo-butyramide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Nitro-phenyl)-N-(4-nitro-thiazol-2-yl)-2,4-dioxo-butyramide",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC(=O)C(=O)NC2=NC(=CS2)[N+](=O)[O-]","GXUNGXWPKYTECE-UHFFFAOYSA-N",364958,NA,"PDBC22871","631844","Present",NA,NA
+"22872","4-(3-Nitrophenyl)-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Nitrophenyl)-3-phenyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2C3=CC(=CC=C3)[N+](=O)[O-]","OXVIHOQMOJFZFR-UHFFFAOYSA-N",385480,NA,"PDBC22872","676716","Present",NA,NA
+"22873","4-(3-Oxo-1,3-diphenylpropyl)-3,4-dihydro-1H-1-benzazepine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Oxo-1,3-diphenylpropyl)-3,4-dihydro-1H-1-benzazepine-2,5-dione",NA,"C1C(C(=O)C2=CC=CC=C2NC1=O)C(CC(=O)C3=CC=CC=C3)C4=CC=CC=C4","VWBKGSBRCKPOCA-UHFFFAOYSA-N",384147,NA,"PDBC22873","673434","Present",NA,NA
+"22874","4-(3-Oxo-1,4-benzothiazin-4-yl)butyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Oxo-1,4-benzothiazin-4-yl)butyl acetate",NA,"CC(=O)OCCCCN1C(=O)CSC2=CC=CC=C21","JGOSFPXJWMUXRC-UHFFFAOYSA-N",393356,NA,"PDBC22874","695152","Present",NA,NA
+"22875","4-(3-Oxo-2,3-diphenyl-1-propenyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-3-oxo-2,3-diphenyl-prop-1-enyl]benzonitrile",NA,"C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)C#N)C(=O)C3=CC=CC=C3","QVERZGUSXAQUEQ-RCCKNPSSSA-N",5466802,NA,"PDBC22875","643134","Present",NA,NA
+"22876","4-(3-Phenanthryl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Phenanthrenebutyric acid",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C=C3)CCCC(=O)O","NYIVWTWKIQOBKO-UHFFFAOYSA-N",96904,NA,"PDBC22876","92828","Present",NA,NA
+"22877","4-(3-Phenoxyphenoxy)phthalonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Phenoxyphenoxy)phthalonitrile",NA,"C1=CC=C(C=C1)OC2=CC(=CC=C2)OC3=CC(=C(C=C3)C#N)C#N","UDRBBLYLQBOFSK-UHFFFAOYSA-N",371804,NA,"PDBC22877","646249","Present",NA,NA
+"22878","4-(3-Phenyl-2H-chromen-2-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-308/15495010",NA,"C1COCCN1C2C(=CC3=CC=CC=C3O2)C4=CC=CC=C4","HIDJPVBIHSZJCH-UHFFFAOYSA-N",378275,NA,"PDBC22878","660231","Present",NA,NA
+"22879","4-(3-Phenylazoquinoxalin-2-yl)butanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(3-phenylazoquinoxalin-2-yl)butanoate",NA,"COC(=O)CCCC1=NC2=CC=CC=C2N=C1N=NC3=CC=CC=C3","NHCOFAMCMOWFPF-UHFFFAOYSA-N",396647,NA,"PDBC22879","703161","Present",NA,NA
+"22880","4-(3-Phenylquinoxalin-2-yl)-oxyphenylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-phenylquinoxalin-2-yl)-oxyphenylacetic acid",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)CC(=O)O","FWJUJPWPCHZQFF-UHFFFAOYSA-N",405750,NA,"PDBC22880","723324","Present",NA,NA
+"22881","4-(3-Phenylquinoxalin-2-yl)oxybenzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Phenylquinoxalin-2-yl)oxybenzonitrile",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OC4=CC=C(C=C4)C#N","XSOJDSBNQPWREU-UHFFFAOYSA-N",386967,NA,"PDBC22881","680194","Present",NA,NA
+"22882","4-(3-Pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Pyridinyl)-5-((3-(trifluoromethyl)phenyl)sulfonyl)-4,5-dihydropyrrolo[1,2-a]quinoxaline",NA,"C1=CC=C2C(=C1)N3C=CC=C3C(N2S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C5=CN=CC=C5","UAZQZAONUXSURN-UHFFFAOYSA-N",328919,NA,"PDBC22882","309883","Present",NA,NA
+"22883","4-(3-Thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Thiophen-2-yl-4H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,"C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=CS4)C5=CC=C(C=C5)S(=O)(=O)N","UKMPQSFMFAXXFL-UHFFFAOYSA-N",24204664,NA,"PDBC22883","732416","Present",NA,NA
+"22884","4-(3-Thioxo-3H-1,2-dithiol-4-yl)-5,6-dihydro-4H-1,2,7-trithia-4-aza-3H-indene-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Thioxodithiol-4-yl)-5,6-dihydrodithiolo[5,4-b][1,4]thiazine-3-thione",NA,"C1CSC2=C(N1C3=CSSC3=S)C(=S)SS2","YMPRJLUPPXRQIH-UHFFFAOYSA-N",398473,NA,"PDBC22884","708376","Present",NA,NA
+"22885","4-(3-{1-[2-(Dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)-N,N,5,6-tetramethyl-2-pyrimidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-{1-[2-(dimethylamino)ethyl]-1H-pyrazol-3-yl}phenyl)...",NA,"CC1=C(N=C(N=C1C2=CC=CC(=C2)C3=NN(C=C3)CCN(C)C)N(C)C)C","SVOZAMOPQXHFML-UHFFFAOYSA-N",30876879,NA,"PDBC22885","765369","Present",NA,NA
+"22886","4-(3H-Imidazo[1,5-a]benzimidazol-2-ium-2-yl)benzoic acid;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3H-Imidazo[1,5-a]benzimidazol-2-ium-2-yl)benzoic acid;chloride",NA,"C1C2=NC3=CC=CC=C3N2C=[N+]1C4=CC=C(C=C4)C(=O)O.[Cl-]","IBILBWUILGXFME-UHFFFAOYSA-N",5351839,NA,"PDBC22886","59413","Present",NA,NA
+"22887","4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)benzoic acid",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)C(=O)O","LIASFHOMYOABMV-UHFFFAOYSA-N",386250,NA,"PDBC22887","677993","Present",NA,NA
+"22888","4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl acetate",NA,"CC(=O)OC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2","KOVSNYGBSNCEGB-UHFFFAOYSA-N",384820,NA,"PDBC22888","675272","Present",NA,NA
+"22889","4-(3a,4-Dihydro-3-(2-thienyl)-3h-indeno[1,2-c]pyrazol-2-yl)-benzene-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-Thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)benzenesulfonamide",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=CS5","MPPNHFUJLAPHKV-UHFFFAOYSA-N",24204638,NA,"PDBC22889","732390","Present",NA,NA
+"22890","4-(4'-Hydroxyphenyl)diazenylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxy-phenylazo)-benzenesulfonamide",NA,"C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)N)O","IPPFWRRJWLCWGK-UHFFFAOYSA-N",404195,NA,"PDBC22890","720346","Present",NA,NA
+"22891","4-(4'-Oxo-2'-phenyl-spiro[1,5-dihydropyrazole-4,3'-chromane]-5-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4'-Oxo-2'-phenylspiro[1,5-dihydropyrazole-4,3'-2H-chromene]-5-yl)benzonitrile",NA,"C1=CC=C(C=C1)C2C3(C=NNC3C4=CC=C(C=C4)C#N)C(=O)C5=CC=CC=C5O2","FXGGGUCPVLDNJM-UHFFFAOYSA-N",383725,NA,"PDBC22891","672154","Present",NA,NA
+"22892","4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-methoxy-4-(4-methyl-3-pentenyl)-1(4H)-naphthalenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-methoxy-4-(4-methyl-3-pentenyl)-1(4H)-naphthalenone",NA,"CC(=CCCC1(C2=CC=CC=C2C(=O)C=C1OC)C3=NC(CO3)(C)C)C","CMYGYVHGWGMFGP-UHFFFAOYSA-N",370788,NA,"PDBC22892","644311","Present",NA,NA
+"22893","4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-phenyl-5-((phenylsulfinyl)methyl)isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-3-phenyl-5-((phenylsulfinyl)methyl)isoxazole",NA,"CC1(COC(=N1)C2=C(ON=C2C3=CC=CC=C3)CS(=O)C4=CC=CC=C4)C","YJIQVCOGDCQHOW-UHFFFAOYSA-N",373599,NA,"PDBC22893","650160","Present",NA,NA
+"22894","4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-isopropyl-3-methoxy-4-methyl-1(4H)-naphthalenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-6-isopropyl-3-methoxy-4-methyl-1(4H)-naphthalenone",NA,"CC(C)C1=CC2=C(C=C1)C(=O)C=C(C2(C)C3=NC(CO3)(C)C)OC","SXVTZUIOZUWBMW-UHFFFAOYSA-N",370785,NA,"PDBC22894","644308","Present",NA,NA
+"22895","4-(4,5-Dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)-5-phenyl-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,5-Dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)-5-phenyl-1H-1,2,3-triazole",NA,"C1CN=C(N1)C2=C(N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","BEMBFLDWGZLMRT-UHFFFAOYSA-N",371076,NA,"PDBC22895","645022","Present",NA,NA
+"22896","4-(4,5-Dihydro-1H-imidazol-2-yl)-5-(4-methoxyphenyl)-1-phenyl-1H-1,2,3-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,5-Dihydro-1H-imidazol-2-yl)-5-(4-methoxyphenyl)-1-phenyl-1H-1,2,3-triazole",NA,"COC1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)C4=NCCN4","FUULVDJWGNTKGT-UHFFFAOYSA-N",371081,NA,"PDBC22896","645027","Present",NA,NA
+"22897","4-(4,5-Dinitro-1H-imidazol-2-yl)-2-methyl-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,5-Dinitro-1H-imidazol-2-yl)-2-methyl-1,3-thiazole",NA,"CC1=NC(=CS1)C2=NC(=C(N2)[N+](=O)[O-])[N+](=O)[O-]","RCPGPGNXJBPVKJ-UHFFFAOYSA-N",359347,NA,"PDBC22897","620146","Present",NA,NA
+"22898","4-(4,7,7-Trimethyl-4-(methylthio)bicyclo[4.1.0]hept-3-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,7,7-Trimethyl-4-(methylthio)bicyclo[4.1.0]hept-3-yl)morpholine",NA,"CC1(C2C1CC(C(C2)N3CCOCC3)(C)SC)C","LZTQTTOSHLGSSO-UHFFFAOYSA-N",375771,NA,"PDBC22898","655921","Present",NA,NA
+"22899","4-(4,9-Dioxo-3-phenylbenzo[f]benzimidazol-2-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4,9-Dioxo-1-phenyl-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl)butanoic acid",NA,"C1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCCC(=O)O","HYNSOUHCJZAKOT-UHFFFAOYSA-N",382882,NA,"PDBC22899","670759","Present",NA,NA
+"22900","4-(4-(1-(4-(3,4-Dicyanophenoxy)phenyl)-1-methylethyl)phenoxy)phthalonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-(1-(4-(3,4-Dicyanophenoxy)phenyl)-1-methylethyl)phenoxy)phthalonitrile",NA,"CC(C)(C1=CC=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N)C3=CC=C(C=C3)OC4=CC(=C(C=C4)C#N)C#N","JHYUOAPCMWCEND-UHFFFAOYSA-N",371799,NA,"PDBC22900","646244","Present",NA,NA
+"22901","4-(4-(1-Cyclohexyl-1H-tetraazol-5-yl)-4-(4-fluoroanilino)-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(1-Cyclohexyltetrazol-5-yl)-4-(4-fluoroanilino)-1-piperidyl]-1-(4-fluorophenyl)butan-1-one",NA,"C1CCC(CC1)N2C(=NN=N2)C3(CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)NC5=CC=C(C=C5)F","UQRJPUOCSXNBHR-UHFFFAOYSA-N",379869,NA,"PDBC22901","665006","Present",NA,NA
+"22902","4-(4-(1-Hydroxy-1-methylpropyl)-1H-1,2,3-triazol-1-yl)benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-(1-Hydroxy-1-methylpropyl)-1H-1,2,3-triazol-1-yl)benzenesulfonic acid",NA,"CCC(C)(C1=CN(N=N1)C2=CC=C(C=C2)S(=O)(=O)O)O","RSTNMSONLWMKME-UHFFFAOYSA-N",365362,NA,"PDBC22902","632947","Present",NA,NA
+"22903","4-(4-(3-(4-(Dimethylamino)phenyl)benzo[f]quinolin-1-yl)anilino)-2-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-(3-(4-(Dimethylamino)phenyl)benzo[f]quinolin-1-yl)anilino)-2-butanone",NA,"CC(=O)CCNC1=CC=C(C=C1)C2=CC(=NC3=C2C4=CC=CC=C4C=C3)C5=CC=C(C=C5)N(C)C","ZRCFZLFZSNNYPA-UHFFFAOYSA-N",379936,NA,"PDBC22903","665128","Present",NA,NA
+"22904","4-(4-(Acetylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Acetamidophenyl)-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC=CC=C4C)C)C","PMQPNRGZUORQTH-UHFFFAOYSA-N",366472,NA,"PDBC22904","634931","Present",NA,NA
+"22905","4-(4-(Acetylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-(Acetylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC=CC=C4","PAABSBIGRGJMGU-UHFFFAOYSA-N",366471,NA,"PDBC22905","634930","Present",NA,NA
+"22906","4-(4-(Acetylamino)phenyl)-N~3~,N~5~-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Acetamidophenyl)-3-N,5-N-bis(2-ethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCOC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC=CC=C4OCC)C)C","AFSWTWTWPIODFN-UHFFFAOYSA-N",367772,NA,"PDBC22906","637711","Present",NA,NA
+"22907","4-(4-(Acetylamino)phenyl)-N~3~,N~5~-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Acetamidophenyl)-N3,N5-bis(2-ethylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)NC(=O)C)C(=O)NC4=CC=CC=C4CC)C)C","KVLLFWLUGUBPFD-UHFFFAOYSA-N",367734,NA,"PDBC22907","637673","Present",NA,NA
+"22908","4-(4-(Dimethylamino)benzylidene)-1,2-diphenyl-3,5-pyrazolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-(Dimethylamino)benzylidene)-1,2-diphenyl-3,5-pyrazolidinedione",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N(N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4","OZJUNQHTXXJTFU-UHFFFAOYSA-N",392107,NA,"PDBC22908","691979","Present",NA,NA
+"22909","4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N3,N5-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine-3,5-dicarboxamide, 1,4-dihydro-2,6-dimethyl- 4-...",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=CC=C4","ZJXLSQWDLZPNFM-UHFFFAOYSA-N",366928,NA,"PDBC22909","636092","Present",NA,NA
+"22910","4-(4-(Dimethylamino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Dimethylamino)phenyl]-2,6-dimethyl-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC(=C(C=C4F)F)F","KGXJZNVDCXDZKA-UHFFFAOYSA-N",367700,NA,"PDBC22910","637631","Present",NA,NA
+"22911","4-(4-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-(Hydroxy(oxido)amino)phenyl)-2,4-dioxo-N-(1,3-thiazol-2-yl)butanamide",NA,"C1=CC(=CC=C1C(=O)CC(=O)C(=O)NC2=NC=CS2)[N+](=O)[O-]","AEABMSGGISPNLY-UHFFFAOYSA-N",366708,NA,"PDBC22911","635425","Present",NA,NA
+"22912","4-(4-(Hydroxy(oxido)amino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-4-(4-nitrophenyl)-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=C(C=C4F)F)F","OQIZCRJKMAIVFS-UHFFFAOYSA-N",367666,NA,"PDBC22912","637595","Present",NA,NA
+"22913","4-(4-(Hydroxy(oxido)amino)phenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-3-N,5-N-bis(2-methylphenyl)-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4C)C)C","JGCYPORZVOCZAD-UHFFFAOYSA-N",364789,NA,"PDBC22913","631548","Present",NA,NA
+"22914","4-(4-(Hydroxy(oxido)amino)phenyl)-6-imino-1-isonicotinoyl-3-methyl-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl- 4-(4-n...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=NC=C4","FCMHVKZFAXVWFU-UHFFFAOYSA-N",376864,NA,"PDBC22914","657983","Present",NA,NA
+"22915","4-(4-(Hydroxy(oxido)amino)phenyl)-N-(2-methylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-(Hydroxy(oxido)amino)phenyl)-N-(2-methylphenyl)-2,4-dioxobutanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","KQAKXXRHIRZAAT-UHFFFAOYSA-N",366715,NA,"PDBC22915","635431","Present",NA,NA
+"22916","4-(4-(Hydroxy(oxido)amino)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-(Hydroxy(oxido)amino)phenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","KDRIOGVFLPPVQT-UHFFFAOYSA-N",361019,NA,"PDBC22916","623752","Present",NA,NA
+"22917","4-(4-(Hydroxy(oxido)amino)phenyl)-N~3~,N~5~-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4OC","XITQLCWFMHHBLB-UHFFFAOYSA-N",366297,NA,"PDBC22917","634648","Present",NA,NA
+"22918","4-(4-Acetylphenoxy)-3-ethyl-1H-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Acetylphenoxy)-3-ethylquinolin-2(1h)-one",NA,"CCC1=C(C2=CC=CC=C2NC1=O)OC3=CC=C(C=C3)C(=O)C","UABJIOGVMIKHIP-UHFFFAOYSA-N",406551,NA,"PDBC22918","724699","Present",NA,NA
+"22919","4-(4-Amino-2-iodophenyl)-3-iodoaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC170080",NA,"C1=CC(=C(C=C1N)I)C2=C(C=C(C=C2)N)I","PGJJPWRSBHDEOP-UHFFFAOYSA-N",298191,NA,"PDBC22919","170080","Present",NA,NA
+"22920","4-(4-Amino-2-methylsulfanyl-phenylazo)-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Amino-2-methylsulfanyl-phenylazo)-benzenesulfonamide",NA,"CSC1=C(C=CC(=C1)N)N=NC2=CC=C(C=C2)S(=O)(=O)N","VKIQIKNZYOSHFW-UHFFFAOYSA-N",404198,NA,"PDBC22920","720349","Present",NA,NA
+"22921","4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylic acid",NA,"CC1=NC(=C(C(=O)N1)N2CCN(CC2)C(=O)O)N","YEEIDWNFDVZFQY-UHFFFAOYSA-N",135489787,NA,"PDBC22921","673111","Present",NA,NA
+"22922","4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-amino-6-hydroxy-2-methylpyrimidin-5-yl)piperazine-1...",NA,"CC1=NC(=C(C(=O)N1)N2CCN(CC2)S(=O)(=O)N)N","FGKYKKDSNCTFAR-UHFFFAOYSA-N",135489788,NA,"PDBC22922","673114","Present",NA,NA
+"22923","4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-N,N-dibenzyl-1-piperazinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Amino-6-hydroxy-2-methyl-5-pyrimidinyl)-N,N-dibenzyl-1-piperazinesulfonamide",NA,"CC1=NC(=C(C(=O)N1)N2CCN(CC2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4)N","ITFJCPKTZBZWGS-UHFFFAOYSA-N",135436011,NA,"PDBC22923","673115","Present",NA,NA
+"22924","4-(4-Aminophenyl)-3,4-dihydro-1H-benzo[f]isoquinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Aminophenyl)-3,4-dihydro-1H-benzo[f]isoquinolin-2-one",NA,"C1C2=C(C=CC3=CC=CC=C23)C(NC1=O)C4=CC=C(C=C4)N","AWQVLXUKLNQZMB-UHFFFAOYSA-N",339645,NA,"PDBC22924","367238","Present",NA,NA
+"22925","4-(4-Aminophenyl)-3H-1,2-dithiol-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Aminophenyl)-3H-1,2-dithiol-3-thione",NA,"C1=CC(=CC=C1C2=CSSC2=S)N","UXARPYFFIYEWHB-UHFFFAOYSA-N",400550,NA,"PDBC22925","712671","Present",NA,NA
+"22926","4-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)but-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Aminopyrrolo[2,3-d]pyrimidin-7-yl)but-2-yn-1-ol",NA,"C1=CN(C2=NC=NC(=C21)N)CC#CCO","CYRQIJMBNCTYBP-UHFFFAOYSA-N",395240,NA,"PDBC22926","699715","Present",NA,NA
+"22927","4-(4-Anilino-4-(1-cyclohexyl-1H-tetraazol-5-yl)-1-piperidinyl)-2,2-diphenylbutanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Anilino-4-(1-cyclohexyl-1H-tetraazol-5-yl)-1-piperidinyl)-2,2-diphenylbutanenitrile",NA,"C1CCC(CC1)N2C(=NN=N2)C3(CCN(CC3)CCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5)NC6=CC=CC=C6","LJCKNQZHEUWMQE-UHFFFAOYSA-N",379870,NA,"PDBC22927","665007","Present",NA,NA
+"22928","4-(4-Anilinopyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Anilinopyrazolo[3,4-d]pyrimidin-1-yl)benzenesulfonamide",NA,"C1=CC=C(C=C1)NC2=C3C=NN(C3=NC=N2)C4=CC=C(C=C4)S(=O)(=O)N","LOLNLRPYBIEWHP-UHFFFAOYSA-N",42612133,NA,"PDBC22928","742621","Present",NA,NA
+"22929","4-(4-Benzo[b][1]benzazepin-11-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Benzo[b][1]benzazepin-11-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCN3C4=CC=CC=C4C=CC5=CC=CC=C53","QNLHAHRONGKKGV-UHFFFAOYSA-N",16736410,NA,"PDBC22929","732719","Present",NA,NA
+"22930","4-(4-Bromo-2-methylanilino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Bromo-2-methylanilino)-1,2-naphthalenedione",NA,"CC1=C(C=CC(=C1)Br)NC2=CC(=O)C(=O)C3=CC=CC=C32","SXGRFWUHSDNFQH-UHFFFAOYSA-N",367788,NA,"PDBC22930","637730","Present",NA,NA
+"22931","4-(4-Bromoanilino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Bromoanilino)-1,2-naphthalenedione",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)Br","KUPUNXIKYHJSFU-UHFFFAOYSA-N",367791,NA,"PDBC22931","637733","Present",NA,NA
+"22932","4-(4-Bromoanilino)-1,2-naphthalenedione 1-oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naphthalene-1,2-dione, 4-[(4-bromophenyl)amino]-, 1-oxime",NA,"C1=CC=C2C(=C1)C(=CC(=C2N=O)O)NC3=CC=C(C=C3)Br","DTVQCZUFUJDCJK-UHFFFAOYSA-N",377041,NA,"PDBC22932","658257","Present",NA,NA
+"22933","4-(4-Bromophenyl)-2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-bromophenyl)-2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]disulfanyl]-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile",NA,"CC1(CC2=C(C(C(=C(N2)SSC3=C(C(C4=C(N3)CC(CC4=O)(C)C)C5=CC=C(C=C5)Br)C#N)C#N)C6=CC=C(C=C6)Br)C(=O)C1)C","FVPZZKMLJFRKIA-UHFFFAOYSA-N",380528,NA,"PDBC22933","666141","Present",NA,NA
+"22934","4-(4-Bromophenyl)-2-[[4-(4-bromophenyl)-3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl]disulfanyl]-7,7-dimethyl-5-oxo-6,8-dihydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Dithiobis[4-(4-bromophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carbonitrile]",NA,"CC1(CC2=C(C(=O)C1)C(=C(C(=N2)SSC3=NC4=C(C(=O)CC(C4)(C)C)C(=C3C#N)C5=CC=C(C=C5)Br)C#N)C6=CC=C(C=C6)Br)C","HPXKTAXYAYITPE-UHFFFAOYSA-N",378725,NA,"PDBC22934","661827","Present",NA,NA
+"22935","4-(4-Bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-6,8-dihydroquinoline-3-carbonitrile",NA,"CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)Br)C","WGNSUWGQZFXHLG-UHFFFAOYSA-N",1015890,NA,"PDBC22935","666137","Present",NA,NA
+"22936","4-(4-Bromophenyl)-N,N-dibutyl-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Bromophenyl)-N,N-dibutyl-2,4-dioxobutanamide",NA,"CCCCN(CCCC)C(=O)C(=O)CC(=O)C1=CC=C(C=C1)Br","HSZDJUSZDYTLJT-UHFFFAOYSA-N",360359,NA,"PDBC22936","622417","Present",NA,NA
+"22937","4-(4-Bromophenyl)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Bromophenyl)pentanoic acid",NA,"CC(CCC(=O)O)C1=CC=C(C=C1)Br","UCJNBCAEPJOHDL-UHFFFAOYSA-N",362077,NA,"PDBC22937","625600","Present",NA,NA
+"22938","4-(4-Butoxyphenyl)-7,7-dimethyl-2-nonylthio-5-oxo-1,4,6,7,8-pentahydroquinolin e-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Butoxyphenyl)-7,7-dimethyl-2-nonylsulfanyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile",NA,"CCCCCCCCCSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)OCCCC)C#N","PNCZCNCQEQECEA-UHFFFAOYSA-N",398168,NA,"PDBC22938","707700","Present",NA,NA
+"22939","4-(4-Carbazol-9-ylbutanoylamino)-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Carbazol-9-ylbutanoylamino)-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCCN2C3=CC=CC=C3C4=CC=CC=C42","MIFSQZOAHJIZRZ-UHFFFAOYSA-N",404108,NA,"PDBC22939","720229","Present",NA,NA
+"22940","4-(4-Carbazol-9-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Carbazol-9-ylbutanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCN3C4=CC=CC=C4C5=CC=CC=C53","IGSXCXLJGXJXMS-UHFFFAOYSA-N",406397,NA,"PDBC22940","724462","Present",NA,NA
+"22941","4-(4-Chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N2CCNNC2=O","AVBLPDYWIWGNOR-UHFFFAOYSA-N",393927,NA,"PDBC22941","696899","Present",NA,NA
+"22942","4-(4-Chloroanilino)-1-cyclohexyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chloroanilino)-1-cyclohexyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,"C1CCC(CC1)N2C3=C(C(=NNC3=O)NC4=CC=C(C=C4)Cl)N=N2","OXVDJXDLQPSELF-UHFFFAOYSA-N",386619,NA,"PDBC22942","679073","Present",NA,NA
+"22943","4-(4-Chloroanilino)-3-((((cyanoimino)(isopropylamino)methyl)amino)sulfonyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chloroanilino)-3-((((cyanoimino)(isopropylamino)methyl)amino)sulfonyl)pyridine",NA,"CC(C)N=C(NC#N)NS(=O)(=O)C1=C(C=CN=C1)NC2=CC=C(C=C2)Cl","ULTCNYNBAHAWFF-UHFFFAOYSA-N",388895,NA,"PDBC22943","684125","Present",NA,NA
+"22944","4-(4-Chloroanilino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chloroanilino)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol",NA,"C1CCC2=C(C1)C3=C(NC(=S)N=C3S2)NC4=CC=C(C=C4)Cl","IFCMUBBXAZVPGB-UHFFFAOYSA-N",3005175,NA,"PDBC22944","679232","Present",NA,NA
+"22945","4-(4-Chloroanilino)oxadiazolo[3,4-a]quinoxalin-10-ium-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chloroanilino)oxadiazolo[3,4-a]quinoxalin-10-ium-3-ol",NA,"C1=CC=C2C(=C1)N=C(C3=C(ON=[N+]23)[O-])NC4=CC=C(C=C4)Cl","ZRVPDRNAJOKDEM-UHFFFAOYSA-N",375085,NA,"PDBC22945","654099","Present",NA,NA
+"22946","4-(4-Chlorophenoxy)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenoxy)-3-fluoro-1-oxaspiro[4.5]dec-3-en-2-one",NA,"C1CCC2(CC1)C(=C(C(=O)O2)F)OC3=CC=C(C=C3)Cl","PSDJXCGOTORASO-UHFFFAOYSA-N",400249,NA,"PDBC22946","711767","Present",NA,NA
+"22947","4-(4-Chlorophenyl)-1,1-dimethyl-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-1,1-dimethyl-4,5-dihydro-1H,3H-[1,3,5]oxadiazepino[5,6-a]benzimidazole",NA,"CC1(C2=NC3=CC=CC=C3N2CN(CO1)C4=CC=C(C=C4)Cl)C","XKKVYZYWVUINKZ-UHFFFAOYSA-N",374204,NA,"PDBC22947","651694","Present",NA,NA
+"22948","4-(4-Chlorophenyl)-1,2,5,6-tetrahydrobenzo[h]quinazolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-1,2,5,6-tetrahydrobenzo[h]quinazolin-2-amine",NA,"C1CC2=C(C3=CC=CC=C31)NC(N=C2C4=CC=C(C=C4)Cl)N","QYKUVRRPDDEXDP-UHFFFAOYSA-N",388253,NA,"PDBC22948","682864","Present",NA,NA
+"22949","4-(4-Chlorophenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidine-2-thione",NA,"C1C2=C(C3=CC=CC=C3O1)NC(=S)NC2C4=CC=C(C=C4)Cl","LMOXVRNXMUJEKQ-UHFFFAOYSA-N",3005208,NA,"PDBC22949","682863","Present",NA,NA
+"22950","4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-1,3-dihydro-1,5-benzodiazepin-2-one",NA,"C1C(=NC2=CC=CC=C2NC1=O)C3=CC=C(C=C3)Cl","PHRODTFGFHUYEY-UHFFFAOYSA-N",371095,NA,"PDBC22950","645042","Present",NA,NA
+"22951","4-(4-Chlorophenyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,"C1=CSC(=C1)C(=O)C(CC(=O)C2=CC=C(C=C2)Cl)C3=CSC=C3","VXKMMDDKHOTWIT-UHFFFAOYSA-N",376706,NA,"PDBC22951","657752","Present",NA,NA
+"22952","4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-1-(3,4,5-trimethoxyphenyl)imidazole",NA,"COC1=CC(=CC(=C1OC)OC)N2C=C(N=C2)C3=CC=C(C=C3)Cl","KJQMJQIYAQBQEW-UHFFFAOYSA-N",45027920,NA,"PDBC22952","740123","Present",NA,NA
+"22953","4-(4-Chlorophenyl)-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-chlorophenyl)-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-2...",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=C(C=C4)Cl","OCNRWUCUXUXDQJ-KPKJPENVSA-N",49862040,NA,"PDBC22953","750332","Present",NA,NA
+"22954","4-(4-Chlorophenyl)-1-3-[(E)-3-(3-hydroxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-chlorophenyl)-1-3-[(E)-3-(3-hydroxyphenyl)-2-propen...",NA,"C1=CC(=CC(=C1)O)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=C(C=C4)Cl","QNZNFNWPEPMEAV-KPKJPENVSA-N",49862080,NA,"PDBC22954","749337","Present",NA,NA
+"22955","4-(4-Chlorophenyl)-1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-chlorophenyl)-1-3-[(E)-3-(4-hydroxy-3-methoxyphenyl...",NA,"COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=C(C=C4)Cl)O","MHEKBJLSZNJTFR-VZUCSPMQSA-N",46919707,NA,"PDBC22955","748559","Present",NA,NA
+"22956","4-(4-Chlorophenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C)C)C","OGPKLGUNQJHQHC-UHFFFAOYSA-N",366301,NA,"PDBC22956","634652","Present",NA,NA
+"22957","4-(4-Chlorophenyl)-2-((hydrazinocarbonyl)hydrazono)-3-methyl-4-oxo-N-(3-(trifluoromethyl)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-4-(4-Chlorophenyl)-2-(hydrazinecarbonylhydrazinylidene)-3-methyl-4-oxo-N-[3-(trifluoromethyl)phenyl]butanamide",NA,"CC(C(=O)C1=CC=C(C=C1)Cl)C(=NNC(=O)NN)C(=O)NC2=CC=CC(=C2)C(F)(F)F","ACHPSLPZGZWPHG-DICXZTSXSA-N",6069248,NA,"PDBC22957","632033","Present",NA,NA
+"22958","4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C4=CC=CS4","WBUIMWIRPFWXLD-UHFFFAOYSA-N",367034,NA,"PDBC22958","636362","Present",NA,NA
+"22959","4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-2-(2-thienyl)-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,"C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C4=CC=CS4","OPMACWLLFAYQRX-UHFFFAOYSA-N",367046,NA,"PDBC22959","636374","Present",NA,NA
+"22960","4-(4-Chlorophenyl)-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile",NA,"CN1C(=O)C(=C(N=C1NN=CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C#N","KCUGCLUEEAVVSH-FOKLQQMPSA-N",9572612,NA,"PDBC22960","722327","Present",NA,NA
+"22961","4-(4-Chlorophenyl)-2-oxo-1,5-dihydrothiochromeno[4,3-b]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-2-oxo-1,5-dihydro-2H-thiochromeno[4,3-b]pyridine-3-carbonitrile",NA,"C1C2=C(C3=CC=CC=C3S1)NC(=O)C(=C2C4=CC=C(C=C4)Cl)C#N","NJDZQHHWGFAOPP-UHFFFAOYSA-N",403889,NA,"PDBC22961","719473","Present",NA,NA
+"22962","4-(4-Chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[3,2-d][1]benzazepin-6-one, 4-(4-chlorophenyl)-2-p...",NA,"C1C2=C(C3=CC=CC=C3NC1=O)N=C(C=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5","ZCQPIJNMUTYFPC-UHFFFAOYSA-N",388196,NA,"PDBC22962","682764","Present",NA,NA
+"22963","4-(4-Chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-2-phenyl-5,7-dihydropyrido[3,2-d][1]benzazepine-6-thione",NA,"C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5","WJZVWRUJHXZFJP-UHFFFAOYSA-N",3005206,NA,"PDBC22963","682770","Present",NA,NA
+"22964","4-(4-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,"C1=CC=C2C(=C1)C3=C(C2=O)NC(=S)NC3C4=CC=C(C=C4)Cl","JQSKACAPLXGGCU-UHFFFAOYSA-N",3001713,NA,"PDBC22964","641188","Present",NA,NA
+"22965","4-(4-Chlorophenyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile",NA,"C1CCC2=C(C1)C(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=C(C=C4)Cl","CDGNAJQMMNFZRS-UHFFFAOYSA-N",385327,NA,"PDBC22965","676444","Present",NA,NA
+"22966","4-(4-Chlorophenyl)-3-(3-hydroxynaphthalen-2-yl)-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydro-3-(3-hydroxy-2-naphthyl)-4-(4-chlorophenyl)-...",NA,"C1=CC=C2C=C(C(=CC2=C1)C3=NNC(=S)N3C4=CC=C(C=C4)Cl)O","VRLTUNBVMSRHBO-UHFFFAOYSA-N",135520287,NA,"PDBC22966","729052","Present",NA,NA
+"22967","4-(4-Chlorophenyl)-3-(cyclopentoxy)thiazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-3-(cyclopentoxy)thiazole-2-thione",NA,"C1CCC(C1)ON2C(=CSC2=S)C3=CC=C(C=C3)Cl","QMWORKCUGVZYPW-UHFFFAOYSA-N",399500,NA,"PDBC22967","710361","Present",NA,NA
+"22968","4-(4-Chlorophenyl)-3-[(2-hydroxynaphthalen-1-yl)diazenyl]-6-oxo-2,7-dihydropyrazolo[3,4-b]pyridine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4-b]pyridine-5-carbonitrile, 4-(4-chloroph...",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C(=C(C(=O)NC4=NN3)C#N)C5=CC=C(C=C5)Cl)O","KGGQEVJUSKQFAB-UHFFFAOYSA-N",135426589,NA,"PDBC22968","701020","Present",NA,NA
+"22969","4-(4-Chlorophenyl)-3-[[4-[4-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-3-yl]anilino]methyl]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-3-[[4-[4-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]anilino]methyl]-1H-1,2,4-triazole-5-thione",NA,"C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)Cl)NCC4=NNC(=S)N4C5=CC=C(C=C5)Cl","BTNRFKWIVHABQR-UHFFFAOYSA-N",3005398,NA,"PDBC22969","697142","Present",NA,NA
+"22970","4-(4-Chlorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-3-methyl-1-phenyl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidine-6-thione",NA,"CC1=NN(C2=C1C(NC(=S)N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","UTBAEDFYZKEFOP-UHFFFAOYSA-N",135426804,NA,"PDBC22970","718698","Present",NA,NA
+"22971","4-(4-Chlorophenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)N2C=C(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","YTZQTMLOOBAOMV-UHFFFAOYSA-N",45027970,NA,"PDBC22971","740361","Present",NA,NA
+"22972","4-(4-Chlorophenyl)-6-hydroxy-2-(methylsulfanyl)pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-6-hydroxy-2-(methylsulfanyl)pyrimidine-5-carbonitrile",NA,"CSC1=NC(=C(C(=O)N1)C#N)C2=CC=C(C=C2)Cl","BCKZVLHWPRWWSO-UHFFFAOYSA-N",135433313,NA,"PDBC22972","686029","Present",NA,NA
+"22973","4-(4-Chlorophenyl)-6-phenyl-2-thioxo-2,3,4,6-tetrahydropyrimido[5,4-c]quinolin-5(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-6-phenyl-2-thioxo-2,3,4,6-tetrahydrop...",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C(C2=O)C(NC(=S)N4)C5=CC=C(C=C5)Cl","HYQAYDASNHSFSH-UHFFFAOYSA-N",60147922,NA,"PDBC22973","753151","Present",NA,NA
+"22974","4-(4-Chlorophenyl)-7,7-dimethyl-5-oxo-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,8-dihydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,8-dihydroquinoline-3-carbonitrile",NA,"CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=C(C=C4)Cl)C","ZYDDIXIWPBRANT-UHFFFAOYSA-N",385414,NA,"PDBC22974","676594","Present",NA,NA
+"22975","4-(4-Chlorophenyl)-7a-methyl-2,5-diphenylcyclopenta[b]pyran-7(7aH)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chloro-phenyl)-7a-methyl-2,5-diphenyl-7aH-cyclopent...",NA,"CC12C(=O)C=C(C1=C(C=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)C5=CC=CC=C5","HZUTYPQMKGUNQK-UHFFFAOYSA-N",24205336,NA,"PDBC22975","735175","Present",NA,NA
+"22976","4-(4-Chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)CC(=O)C3=CC=C(C=C3)Cl","SGEKNGLDNPJGND-UHFFFAOYSA-N",360723,NA,"PDBC22976","623059","Present",NA,NA
+"22977","4-(4-Chlorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine",NA,"CC1=NC(=CS1)C2=CC(=CC=C2)NC3=NC(=CS3)C4=CC=C(C=C4)Cl","VKOSYNOOATZXNT-UHFFFAOYSA-N",24203948,NA,"PDBC22977","730247","Present",NA,NA
+"22978","4-(4-Chlorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine",NA,"C1=CC=C(C=C1)C2=NC(=CS2)C3=CC(=CC=C3)NC4=NC(=CS4)C5=CC=C(C=C5)Cl","LTTSCORISXGRRW-UHFFFAOYSA-N",24203953,NA,"PDBC22978","730256","Present",NA,NA
+"22979","4-(4-Chlorophenyl)-N-hydroxy-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenyl)-N-hydroxy-4-oxobutanamide",NA,"C1=CC(=CC=C1C(=O)CCC(=O)NO)Cl","BAARMQOOWCKTLC-UHFFFAOYSA-N",392403,NA,"PDBC22979","692767","Present",NA,NA
+"22980","4-(4-Chlorophenyl)imino-1,5-diphenylpyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4e)-4-[(4-Chlorophenyl)imino]-1,5-diphenylpyrrolidin-2-one",NA,"C1C(=NC2=CC=C(C=C2)Cl)C(N(C1=O)C3=CC=CC=C3)C4=CC=CC=C4","FBCJWMNOBKLUDV-UHFFFAOYSA-N",403390,NA,"PDBC22980","718191","Present",NA,NA
+"22981","4-(4-Chlorophenyl)sulfanyl-1-methylpyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_001738",NA,"CN1C2=C(C=N1)C(=NC=N2)SC3=CC=C(C=C3)Cl","DWNXJJMPMJYMAB-UHFFFAOYSA-N",223719,NA,"PDBC22981","11624","Present",NA,NA
+"22982","4-(4-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Chlorophenylazo)-2-[(dimethylamino)methyl]phenol",NA,"CN(C)CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)Cl)O","ARKLCDXQRNTCON-UHFFFAOYSA-N",384364,NA,"PDBC22982","674074","Present",NA,NA
+"22983","4-(4-Cinnolinylthio)-6,7-dimethoxycinnoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Cinnolinylthio)-6,7-dimethoxycinnoline",NA,"COC1=C(C=C2C(=C1)C(=CN=N2)SC3=CN=NC4=CC=CC=C43)OC","GLCZFZHRPBGNBD-UHFFFAOYSA-N",270905,NA,"PDBC22983","114064","Present",NA,NA
+"22984","4-(4-Cyano-N-(4-methoxyphenyl)anilino)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Cyano-N-(4-methoxyphenyl)anilino)benzonitrile",NA,"COC1=CC=C(C=C1)N(C2=CC=C(C=C2)C#N)C3=CC=C(C=C3)C#N","KTFRBVAZZLOFPO-UHFFFAOYSA-N",394812,NA,"PDBC22984","698614","Present",NA,NA
+"22985","4-(4-Diethoxyphosphanyltriazol-1-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Diethoxyphosphanyl)-1h-1,2,3-triazol-1-yl]butanoic acid",NA,"CCOP(C1=CN(N=N1)CCCC(=O)O)OCC","KCTUWVJISUSMKX-UHFFFAOYSA-N",386531,NA,"PDBC22985","678963","Present",NA,NA
+"22986","4-(4-Diethoxyphosphanyltriazol-1-yl)butyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Diethoxyphosphanyl)-1h-1,2,3-triazol-1-yl]butyl acetate",NA,"CCOP(C1=CN(N=N1)CCCCOC(=O)C)OCC","KAOVNBBUNPENBG-UHFFFAOYSA-N",386530,NA,"PDBC22986","678962","Present",NA,NA
+"22987","4-(4-Diethylamino-O-tolylimino)-1,4-dihydro-4'-ME-sulfonyl-1-oxonaphthanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Diethylamino)-2-methylphenyl]imino-N-(4-methylsulfonylphenyl)-1-oxonaphthalene-2-carboxamide",NA,"CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)S(=O)(=O)C)C","KSNPXYUZNGIFGX-UHFFFAOYSA-N",269678,NA,"PDBC22987","111135","Present",NA,NA
+"22988","4-(4-Dimethylaminobenzyliden)-1-methyl-6-nitro-2-phenyl-4H-p yrazolo[1,5-a]indolium trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Dimethylaminobenzyliden)-1-methyl-6-nitro-2-phenyl-...",NA,"C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C=C(C=C3)[N+](=O)[O-])C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","CKJNKVUCIFATCQ-UHFFFAOYSA-M",5472651,NA,"PDBC22988","720622","Present",NA,NA
+"22989","4-(4-Dimethylaminobenzyliden)-2-(3-dimethylaminopropylaminoc arbonyl)-1-methyl-4H-pyrazolo[1,5-a]indolium trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Dimethylaminobenzyliden)-2-(3-dimethylaminopropylam...",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)C(=O)NCCCN(C)C.C(F)(F)(F)S(=O)(=O)[O-]","NVDOTNVYYRUZEJ-UHFFFAOYSA-N",5472693,NA,"PDBC22989","720792","Present",NA,NA
+"22990","4-(4-Dimethylaminophenyl)-2,6-dimethyl-N3,N5-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Dimethylamino)phenyl]-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","QUPDMAHOIOFEBV-UHFFFAOYSA-N",367767,NA,"PDBC22990","637706","Present",NA,NA
+"22991","4-(4-Dimethylaminophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Dimethylaminophenyl)-5,6,7,8-tetrahydroquinazolin-2-amine",NA,"CN(C)C1=CC=C(C=C1)C2=NC(=NC3=C2CCCC3)N","DKPXCPWFLOTYTQ-UHFFFAOYSA-N",371392,NA,"PDBC22991","645610","Present",NA,NA
+"22992","4-(4-Dimethylaminostyryl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4m2o",NA,"CN(C)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23","CIXDQQGMRYRUQA-JXMROGBWSA-N",668053,NA,"PDBC22992","4236","Present",NA,NA
+"22993","4-(4-Ethoxy-benzylidene)-2-phenyl-4H-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Ethoxy-benzylidene)-2-phenyl-4H-oxazol-5-one",NA,"CCOC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3","LZGHNOQOXAKRFO-VBKFSLOCSA-N",670549,NA,"PDBC22993","165000","Present",NA,NA
+"22994","4-(4-Ethoxyanilino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Naphthalenedione, 4-[(4-ethoxyphenyl)amino]-",NA,"CCOC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32","DDFJWWONBPVCPM-UHFFFAOYSA-N",367790,NA,"PDBC22994","637732","Present",NA,NA
+"22995","4-(4-Fluorophenyl)-1-(2-hydroxybenzylidene)thiosemicarbazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DNDI1417146",NA,"C1=CC=C(C(=C1)C=NNC(=S)NC2=CC=C(C=C2)F)O","OVCWJVRHOUKGII-SXGWCWSVSA-N",135435713,NA,"PDBC22995","73241","Present",NA,NA
+"22996","4-(4-Fluorophenyl)-1-(4-piperidinyl)-5-(2-amino-4-pyrimidinyl)-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-220025-A///SB-220025-R",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F","VSPFURGQAYMVAN-UHFFFAOYSA-N",5164,NA,"PDBC22996","756416///756417","Present",NA,NA
+"22997","4-(4-Fluorophenyl)-2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-morpholin-4-ylpyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((E)-2-((1H-indol-3-yl)methylene)hydrazinyl)-4-(4-fluo...",NA,"C1COCCN1C2=NC(=NC(=C2C#N)C3=CC=C(C=C3)F)NN=CC4=CNC5=CC=CC=C54","TVZHECKTTDIROX-RWPZCVJISA-N",155808793,NA,"PDBC22997","795213","Present",NA,NA
+"22998","4-(4-Fluorophenyl)-4-methyl-2,6-dioxo-3,5-piperidinedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Fluorophenyl)-4-methyl-2,6-dioxo-3,5-piperidinedicarbonitrile",NA,"CC1(C(C(=O)NC(=O)C1C#N)C#N)C2=CC=C(C=C2)F","CXCPZHNDBRGVNP-UHFFFAOYSA-N",367024,NA,"PDBC22998","636351","Present",NA,NA
+"22999","4-(4-Fluorophenyl)-7-methoxy-2-(2-quinolinyl)-5,6-dihydrobenzo[h]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Fluorophenyl)-7-methoxy-2-quinolin-2-yl-5,6-dihydrobenzo[h]quinoline",NA,"COC1=CC=CC2=C1CCC3=C2N=C(C=C3C4=CC=C(C=C4)F)C5=NC6=CC=CC=C6C=C5","FOHFZQFUSMKJGF-UHFFFAOYSA-N",388618,NA,"PDBC22999","683629","Present",NA,NA
+"23000","4-(4-Fluorophenyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Fluorophenyl)-N-(4-isopropyl-1,3-benzothiazol-2-yl)-2,4-dioxobutanamide",NA,"CC(C)C1=C2C(=CC=C1)SC(=N2)NC(=O)C(=O)CC(=O)C3=CC=C(C=C3)F","VVCAAYKFKODWQD-UHFFFAOYSA-N",361012,NA,"PDBC23000","623745","Present",NA,NA
+"23001","4-(4-Furo[2,3-b]quinolin-4-yloxyphenyl)butan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]butan-2-ol",NA,"CC(CCC1=CC=C(C=C1)OC2=C3C=COC3=NC4=CC=CC=C42)O","KBNTVQCGFMEOPK-UHFFFAOYSA-N",406548,NA,"PDBC23001","724696","Present",NA,NA
+"23002","4-(4-Furo[2,3-b]quinolin-4-yloxyphenyl)butan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Furo[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one",NA,"CC(=O)CCC1=CC=C(C=C1)OC2=C3C=COC3=NC4=CC=CC=C42","PKZWXKJZOLEXPL-UHFFFAOYSA-N",406547,NA,"PDBC23002","724695","Present",NA,NA
+"23003","4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylic acid",NA,"CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)C(=O)O","NNMLZOOXHSMUKJ-UHFFFAOYSA-N",135401754,NA,"PDBC23003","673100","Present",NA,NA
+"23004","4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide",NA,"CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)S(=O)(=O)N","QBHYVAWKFRUONU-UHFFFAOYSA-N",135427646,NA,"PDBC23004","673103","Present",NA,NA
+"23005","4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4","CLRNXXZGYQHZHP-UHFFFAOYSA-N",365860,NA,"PDBC23005","633935","Present",NA,NA
+"23006","4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(2,4,5-trifluorophenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-3-N,5-N-bis(2,4,5-trifluorophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2F)F)F)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC(=C(C=C4F)F)F","IHKHJUBUDCKBIR-UHFFFAOYSA-N",367774,NA,"PDBC23006","637713","Present",NA,NA
+"23007","4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=CC=C4C)C)C","DYOARMIAODMEGM-UHFFFAOYSA-N",366160,NA,"PDBC23007","634487","Present",NA,NA
+"23008","4-(4-Hydroxy-3-methoxyphenyl)-N~3~,N~5~-bis(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxy-3-methoxyphenyl)-2,6-dimethyl-3-N,5-N-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","UEWMXXOFLIOKDF-UHFFFAOYSA-N",367699,NA,"PDBC23008","637630","Present",NA,NA
+"23009","4-(4-Hydroxybutyl)pyrido[3,2-b][1,4]oxazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxybutyl)pyrido[3,2-b][1,4]oxazin-3-one",NA,"C1C(=O)N(C2=C(O1)C=CC=N2)CCCCO","RPHCZQOXIZCPOO-UHFFFAOYSA-N",393357,NA,"PDBC23009","695153","Present",NA,NA
+"23010","4-(4-Hydroxyphenyl)-2,6-dimethyl-N~3~,N~5~-bis(3-(trifluoromethyl)phenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxyphenyl)-2,6-dimethyl-3-N,5-N-bis[3-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)O)C(=O)NC4=CC=CC(=C4)C(F)(F)F","WCXVDZLRBGFHEP-UHFFFAOYSA-N",367685,NA,"PDBC23010","637616","Present",NA,NA
+"23011","4-(4-Hydroxyphenyl)-2-butanone 4'-O-(6-O-galloyl-2-O-cinnamoyl)glucopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-hydroxyphenyl)-2-butanone 4'-O-(6-O-galloyl-2-O-cin...",NA,"CC(=O)CCC1=CC=C(C=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)OC(=O)C=CC4=CC=CC=C4","AHHMQRHEIDUWPG-SDNWHVSQSA-N",24204941,NA,"PDBC23011","733506","Present",NA,NA
+"23012","4-(4-Hydroxyphenyl)-3-(3,5-trihydroxyphenyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-hydroxyphenyl)-3-(3,4,5-trihydroxyphenyl)-2(5H)-fur...",NA,"C1C(=C(C(=O)O1)C2=CC(=C(C(=C2)O)O)O)C3=CC=C(C=C3)O","KQECCDXHFVCKRH-UHFFFAOYSA-N",10957540,NA,"PDBC23012","726246","Present",NA,NA
+"23013","4-(4-Hydroxyphenyl)-3-azabicyclo[3.2.1]octan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxyphenyl)-3-azabicyclo[3.2.1]octan-2-one",NA,"C1CC2CC1C(NC2=O)C3=CC=C(C=C3)O","FCNHGISFSWEVED-UHFFFAOYSA-N",367126,NA,"PDBC23013","636513","Present",NA,NA
+"23014","4-(4-Hydroxyphenyl)-3-phenoxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxyphenyl)-3-phenoxy-2H-chromen-2-one",NA,"C1=CC=C(C=C1)OC2=C(C3=CC=CC=C3OC2=O)C4=CC=C(C=C4)O","QETJMUQGNWPAIG-UHFFFAOYSA-N",395145,NA,"PDBC23014","699445","Present",NA,NA
+"23015","4-(4-Hydroxyphenyl)-7-methoxy-3-phenoxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Hydroxyphenyl)-7-methoxy-3-phenoxy-2H-chromen-2-one",NA,"COC1=CC2=C(C=C1)C(=C(C(=O)O2)OC3=CC=CC=C3)C4=CC=C(C=C4)O","ZZYATZWOTZISSC-UHFFFAOYSA-N",395147,NA,"PDBC23015","699447","Present",NA,NA
+"23016","4-(4-Imidazol-1-ylbenzoyl)-5-methyl-1,3-dihydroimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Imidazol-2-one, 1,3-dihydro-4-[4-(1H-imidazol-1-yl)- ...",NA,"CC1=C(NC(=O)N1)C(=O)C2=CC=C(C=C2)N3C=CN=C3","GTLADJHSFQKGDS-UHFFFAOYSA-N",367855,NA,"PDBC23016","638021","Present",NA,NA
+"23017","4-(4-Isopropylphenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Isopropylphenyl)-2,6-dimethyl-N~3~,N~5~-diphenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C(C)C)C(=O)NC4=CC=CC=C4","OTEPPTCZBKUAJK-UHFFFAOYSA-N",361084,NA,"PDBC23017","623889","Present",NA,NA
+"23018","4-(4-Isopropylphenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Isopropylphenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,"CC(C)C1=CC=C(C=C1)C2C3=C(C(=O)C4=CC=CC=C43)NC(=S)N2","GLQTUOVLZRTRHA-UHFFFAOYSA-N",3001711,NA,"PDBC23018","641182","Present",NA,NA
+"23019","4-(4-Isopropylphenyl)-N~3~,N~5~-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(4-propan-2-ylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)C(C)C)C(=O)NC4=CC=CC=C4OC","UWJAZOIDZXXKIX-UHFFFAOYSA-N",361076,NA,"PDBC23019","623881","Present",NA,NA
+"23020","4-(4-Methoxy-2-methylphenyl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Opera_ID_1940",NA,"CC1=C(C=CC(=C1)OC)CCCC(=O)O","SDCCJOGFKKGOBC-UHFFFAOYSA-N",237621,NA,"PDBC23020","41313","Present",NA,NA
+"23021","4-(4-Methoxy-phenyl)-2-(4-methyl-piperazin-1-yl)-3,5]imidazo[1,2-a]pyrimidine-3-carboxyaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxy-phenyl)-2-(4-methyl-piperazin-1-yl)-3,4-dih...",NA,"CN1CCN(CC1)C2=NC3=NC4=CC=CC=C4N3C(C2C=O)C5=CC=C(C=C5)OC","FLLIYCKHQKTESP-UHFFFAOYSA-N",405432,NA,"PDBC23021","722739","Present",NA,NA
+"23022","4-(4-Methoxybenzyl)-3-cinnolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxybenzyl)-3-cinnolinol",NA,"COC1=CC=C(C=C1)CC2=C3C=CC=CC3=NNC2=O","JGNMWWOOQATAQC-UHFFFAOYSA-N",368590,NA,"PDBC23022","639686","Present",NA,NA
+"23023","4-(4-Methoxycarbonyltriazol-1-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Methoxycarbonyl)-1h-1,2,3-triazol-1-yl]butanoic acid",NA,"COC(=O)C1=CN(N=N1)CCCC(=O)O","DCJSXYVSGQKYJS-UHFFFAOYSA-N",386527,NA,"PDBC23023","678959","Present",NA,NA
+"23024","4-(4-Methoxyphenyl)-1,3-dihydro-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one",NA,"COC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)C2","WEQNGFZKIIZBHZ-UHFFFAOYSA-N",371094,NA,"PDBC23024","645041","Present",NA,NA
+"23025","4-(4-Methoxyphenyl)-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-methoxyphenyl)-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-...",NA,"COC1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC=CC(=C3)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC","UTKPZWSWZNYVCD-MDWZMJQESA-N",49862042,NA,"PDBC23025","750334","Present",NA,NA
+"23026","4-(4-Methoxyphenyl)-16-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-16-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C(C)C","NHNUPBOJTOSGJV-UHFFFAOYSA-N",390918,NA,"PDBC23026","689139","Present",NA,NA
+"23027","4-(4-Methoxyphenyl)-18-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-18-methyl-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1=C2C(=CC=C1)C3=C(N2)C4C(C5C3CCC(C5)C(C)C)C(=O)N(C4=O)C6=CC=C(C=C6)OC","SHRDPJMXEWIAGO-UHFFFAOYSA-N",390920,NA,"PDBC23027","689141","Present",NA,NA
+"23028","4-(4-Methoxyphenyl)-2-(2,3,5-trichlorophenyl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-2-(2,3,5-trichlorophenyl)-1,3-thiazole",NA,"COC1=CC=C(C=C1)C2=CSC(=N2)C3=C(C(=CC(=C3)Cl)Cl)Cl","DEUXBTXGUQIKFE-UHFFFAOYSA-N",24814781,NA,"PDBC23028","742840","Present",NA,NA
+"23029","4-(4-Methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepin-2-one",NA,"COC1=CC=C(C=C1)C2CC(=O)OC3=CC=CC=C3O2","BUNVNSQNKLMFAF-UHFFFAOYSA-N",378270,NA,"PDBC23029","660226","Present",NA,NA
+"23030","4-(4-Methoxyphenyl)-3-(2-naphthyl)-6-phenyl-2-pyridinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-3-naphthalen-2-yl-6-phenylpyridin-2-amine",NA,"COC1=CC=C(C=C1)C2=CC(=NC(=C2C3=CC4=CC=CC=C4C=C3)N)C5=CC=CC=C5","HPYOPVSXHVYYEX-UHFFFAOYSA-N",388629,NA,"PDBC23030","683640","Present",NA,NA
+"23031","4-(4-Methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-3-phenyl-1-(3,4,5-trimethoxyphenyl)imidazol-2-one",NA,"COC1=CC=C(C=C1)C2=CN(C(=O)N2C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC","HOOLAGDCSAMNTL-UHFFFAOYSA-N",45027969,NA,"PDBC23031","740360","Present",NA,NA
+"23032","4-(4-Methoxyphenyl)-3-phenylisothiochromeno[3,4-e]oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-methoxyphenyl)-3-phenylisothiochromeno[3,4-e][1,2]o...",NA,"COC1=CC=C(C=C1)C2=C3C(=C4C=CC=CC4=CS3)ON=C2C5=CC=CC=C5","CIRCQLCUELBUQI-UHFFFAOYSA-N",405547,NA,"PDBC23032","722910","Present",NA,NA
+"23033","4-(4-Methoxyphenyl)-7,7-dimethyl-5-oxo-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,8-dihydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-7,7-dimethyl-5-oxo-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,8-dihydroquinoline-3-carbonitrile",NA,"CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=C(C=C4)OC)C","VRHDUSRUIQLXLE-UHFFFAOYSA-N",385415,NA,"PDBC23033","676595","Present",NA,NA
+"23034","4-(4-Methoxyphenyl)-7,8-dimethyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-7,8-dimethyl-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine",NA,"CC1=CC2=C(C=C1C)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC","PSIQDUJCLJWDIA-UHFFFAOYSA-N",384606,NA,"PDBC23034","674618","Present",NA,NA
+"23035","4-(4-Methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-8-[3-(trifluoromethyl)phenyl]pyrazolo[5,1-c][1,2,4]triazine",NA,"COC1=CC=C(C=C1)C2=CN=NC3=C(C=NN23)C4=CC(=CC=C4)C(F)(F)F","SBJCTTSCLDWRDY-UHFFFAOYSA-N",337394,NA,"PDBC23035","355171","Present",NA,NA
+"23036","4-(4-Methoxyphenyl)-9-(2-methylbutan-2-yl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-9-(2-methylbutan-2-yl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CCC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","WIQKJAZMFIVQPU-UHFFFAOYSA-N",395265,NA,"PDBC23036","699743","Present",NA,NA
+"23037","4-(4-Methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-9-propan-2-yl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","KEVCAWKQNSOOMZ-UHFFFAOYSA-N",390915,NA,"PDBC23037","689136","Present",NA,NA
+"23038","4-(4-Methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-2-amine",NA,"CC1=NC(=CS1)C2=CC(=CC=C2)NC3=NC(=CS3)C4=CC=C(C=C4)OC","SVVAQFGRWZBBFP-UHFFFAOYSA-N",24203947,NA,"PDBC23038","730246","Present",NA,NA
+"23039","4-(4-Methoxyphenyl)-N-[[3-[[4-(4-methoxyphenyl)butylamino]methyl]phenyl]methyl]butan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-N-[[3-[[4-(4-methoxyphenyl)butylamino]methyl]phenyl]methyl]butan-1-amine",NA,"COC1=CC=C(C=C1)CCCCNCC2=CC(=CC=C2)CNCCCCC3=CC=C(C=C3)OC","UXMWXUVIWCLPGP-UHFFFAOYSA-N",397160,NA,"PDBC23039","704564","Present",NA,NA
+"23040","4-(4-Methoxyphenyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5313571",NA,"COC1=CC=C(C=C1)N2CCOCC2","FAAUAMNUAFGPAR-UHFFFAOYSA-N",389874,NA,"PDBC23040","686502","Present",NA,NA
+"23041","4-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-[6-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,4-dioxobutanoyl]amino]pyridin-2-yl]-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-[6-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,4-dioxobutanoyl]amino]pyridin-2-yl]-2,4-dioxobutanamide",NA,"CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)CC(=O)C(=O)NC3=NC(=CC=C3)NC(=O)C(=O)CC(=O)C4=C(N=C(S4)C5=CN=CC=C5)C","BTMIPVUBVAHELL-UHFFFAOYSA-N",373333,NA,"PDBC23041","649549","Present",NA,NA
+"23042","4-(4-Methyl-5-isoxazolylamino)naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Methyl-1,2-oxazol-5-yl)amino]naphthalene-1,2-dione",NA,"CC1=C(ON=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32","ZCBJLZZTJOYJKA-UHFFFAOYSA-N",384244,NA,"PDBC23042","673785","Present",NA,NA
+"23043","4-(4-Methyl-benzylidene)-2-thioxo-thiazolidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methyl-benzylidene)-2-thioxo-thiazolidin-5-one",NA,"CC1=CC=C(C=C1)C=C2C(=O)SC(=S)N2","QNGHOFFCLUVMAS-RMKNXTFCSA-N",5467673,NA,"PDBC23043","657724","Present",NA,NA
+"23044","4-(4-Methylbenzyl)-3-cinnolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methylbenzyl)-3-cinnolinol",NA,"CC1=CC=C(C=C1)CC2=C3C=CC=CC3=NNC2=O","FLLIVBQNLWXIAJ-UHFFFAOYSA-N",368589,NA,"PDBC23044","639685","Present",NA,NA
+"23045","4-(4-Methylphenyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methylphenyl)-1,3-dihydro-2H-1,5-benzodiazepin-2-one",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=O)C2","GAOFITLRMJPSMO-UHFFFAOYSA-N",371093,NA,"PDBC23045","645040","Present",NA,NA
+"23046","4-(4-Methylphenyl)-2-(3-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Nitrophenyl)-4-p-tolyl-2,3-dihydrobenzo[b][1,4]thia...",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3SC(C2)C4=CC(=CC=C4)[N+](=O)[O-]","PFFYFNYHJJAZOY-UHFFFAOYSA-N",321194,NA,"PDBC23046","270737","Present",NA,NA
+"23047","4-(4-Methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole",NA,"CC1=CC=C(C=C1)S(=O)C2=CC=C(C3=NON=C23)[N+](=O)[O-]","FRBRHPUZSWIODD-UHFFFAOYSA-N",313614,NA,"PDBC23047","228150","Present",NA,NA
+"23048","4-(4-Methylphenyl)sulfonylaniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627710",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)N.Cl","PMKZWMNZZFMSPQ-UHFFFAOYSA-N",363135,NA,"PDBC23048","627710","Present",NA,NA
+"23049","4-(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)butan-1-ol",NA,"CSC1=NC=NC2=C1C=NN2CCCCO","WDMIETVUTVLRBV-UHFFFAOYSA-N",391134,NA,"PDBC23049","689860","Present",NA,NA
+"23050","4-(4-Methylthiostyryl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-142063",NA,"CSC1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23","ULHYTJRGRNPACD-RMKNXTFCSA-N",5900081,NA,"PDBC23050","124637","Present",NA,NA
+"23051","4-(4-Morpholinyl)-N-phenylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Morpholinyl)-N-phenylbenzenesulfinamide",NA,"C1COCCN1C2=CC=C(C=C2)S(=O)NC3=CC=CC=C3","DLLUSKNUQYXCID-UHFFFAOYSA-N",385385,NA,"PDBC23051","676559","Present",NA,NA
+"23052","4-(4-N-Methyl-N-nitrosaminostyryl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-nitroso-4-[2-(4-quinolinyl)ethenyl]benzenamine",NA,"CN(C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N=O","IJOCQJGYYDLLAT-RMKNXTFCSA-N",5284422,NA,"PDBC23052","101984","Present",NA,NA
+"23053","4-(4-Nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Nitroanilino)-3-[(4-nitrophenyl)carbamoylamino]-4-oxo-butanoic acid",NA,"C1=CC(=CC=C1NC(=O)C(CC(=O)O)NC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","VYWQPWLXSJFYMR-UHFFFAOYSA-N",382293,NA,"PDBC23053","669755","Present",NA,NA
+"23054","4-(4-Nitrophenyl)-1,2-bis(2,2,2-trichloroacetyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Nitrophenyl)-1,2-bis(2,2,2-trichloroacetyl)-1,2,4-triazolidine-3,5-dione",NA,"C1=CC(=CC=C1N2C(=O)N(N(C2=O)C(=O)C(Cl)(Cl)Cl)C(=O)C(Cl)(Cl)Cl)[N+](=O)[O-]","CCBUCVOUUKQLEZ-UHFFFAOYSA-N",388177,NA,"PDBC23054","682742","Present",NA,NA
+"23055","4-(4-Nitrophenyl)-1-(2,2,2-trichloroacetyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Nitrophenyl)-1-(2,2,2-trichloroacetyl)-1,2,4-triazolidine-3,5-dione",NA,"C1=CC(=CC=C1N2C(=O)NN(C2=O)C(=O)C(Cl)(Cl)Cl)[N+](=O)[O-]","VBYLJKKSZHRXGO-UHFFFAOYSA-N",388173,NA,"PDBC23055","682738","Present",NA,NA
+"23056","4-(4-Nitrophenyl)-2-(p-tolyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylphenyl)-4-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,"CC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]","GKJVRCJXSQBFOV-UHFFFAOYSA-N",364785,NA,"PDBC23056","631544","Present",NA,NA
+"23057","4-(4-Nitrophenyl)-2-oxo-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Nitrophenyl)-2-oxo-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-1H-pyridine-3-carbonitrile",NA,"C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)[N+](=O)[O-])NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F","NMZYLRVTBXWPPS-UHFFFAOYSA-N",396052,NA,"PDBC23057","701379","Present",NA,NA
+"23058","4-(4-Nitrophenyl)-2-phenyl-2,3-dihydro-1$l^{4},5-benzothiazepine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine 1-oxide",NA,"C1C(S(=O)C2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","MZVYOXUGAVSNHD-UHFFFAOYSA-N",364771,NA,"PDBC23058","631530","Present",NA,NA
+"23059","4-(4-Nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Nitrophenyl)-2-phenyl-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","DAKAXKLZVBXXIP-UHFFFAOYSA-N",369426,NA,"PDBC23059","641196","Present",NA,NA
+"23060","4-(4-Nitrophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Nitrophenyl)-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,"C1=CC=C2C(=C1)C3=C(C2=O)NC(=S)NC3C4=CC=C(C=C4)[N+](=O)[O-]","DKNSHPMTIOWYPY-UHFFFAOYSA-N",3001714,NA,"PDBC23060","641189","Present",NA,NA
+"23061","4-(4-Nitrophenylazo)-1-naphthol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"magneson ii",NA,"C1=CC=C2C(=C1)C(=CC=C2O)N=NC3=CC=C(C=C3)[N+](=O)[O-]","MDLLSWJQIIAUQU-UHFFFAOYSA-N",79174,NA,"PDBC23061","5048","Present",NA,NA
+"23062","4-(4-Nitrosophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,6-dimethyl-4-(4-nitrosophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)N=O)C(=O)OC","CRWKDQMPVPDWDH-UHFFFAOYSA-N",382112,NA,"PDBC23062","669505","Present",NA,NA
+"23063","4-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-N-[4-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-N-[4-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)phenyl]benzamide",NA,"C1C(=O)N(C(S1)C2=CC=CS2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5C(SCC5=O)C6=CC=CS6","FZGXYTGIQGZWPT-UHFFFAOYSA-N",397142,NA,"PDBC23063","704541","Present",NA,NA
+"23064","4-(4-Phenylpiperidin-4-ylcarbonyl)morpholine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC163376",NA,"C1CNCCC1(C2=CC=CC=C2)C(=O)N3CCOCC3.Cl","BHPBCTQIGBZUCM-UHFFFAOYSA-N",21222050,NA,"PDBC23064","163376","Present",NA,NA
+"23065","4-(4-Quinolinylamino)benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Quinolinylamino)benzenesulfonic acid",NA,"C1=CC=C2C(=C1)C(=CC=N2)NC3=CC=C(C=C3)S(=O)(=O)O","XIEIYHZJTBZWDX-UHFFFAOYSA-N",388375,NA,"PDBC23065","683267","Present",NA,NA
+"23066","4-(4-Tert-butyl-2,6,7-trioxabicyclo[2.2.2]octan-1-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-Tert-butyl-3,5,8-trioxabicyclo[2.2.2]octan-4-yl)aniline",NA,"CC(C)(C)C12COC(OC1)(OC2)C3=CC=C(C=C3)N","PIGRCEILADLICK-UHFFFAOYSA-N",398093,NA,"PDBC23066","707458","Present",NA,NA
+"23067","4-(4-Thieno[2,3-d]pyrimidinylamino)-N-(4-((4-methyl-1-piperazinyl)methyl)phenyl)-1H-3-pyrazole carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(thieno[2...",NA,"CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C=CSC5=NC=N4","UDVJBRYBBSVDDS-UHFFFAOYSA-N",72194525,NA,"PDBC23067","781142","Present",NA,NA
+"23068","4-(4-Thieno[2,3-d]pyrimidinylamino)-N-(4-((4-morpholinyl)methyl)phenyl)-1H-3-pyrazolecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(morpholinomethyl)phenyl)-4-(thieno[2,3-d]pyrimidin...",NA,"C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C=CSC5=NC=N4","WTKYHVUVQSLNBW-UHFFFAOYSA-N",72194526,NA,"PDBC23068","781141","Present",NA,NA
+"23069","4-(4-Toluidino)-1,2-naphthalenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC117024",NA,"CC1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32","ICGLGYCHUQDWMB-UHFFFAOYSA-N",272567,NA,"PDBC23069","117024","Present",NA,NA
+"23070","4-(4-alpha-Cumylphenoxy)phthalonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C-46391",NA,"CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC(=C(C=C3)C#N)C#N","IANCXVAWMHHHKK-UHFFFAOYSA-N",371798,NA,"PDBC23070","646243","Present",NA,NA
+"23071","4-(4-methylthiophenyl)-4-pheny-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-methylthiophenyl)-4-pheny-2(5H)-furanone",NA,"CSC1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3","UZLXCHVDUBCZMH-UHFFFAOYSA-N",11044235,NA,"PDBC23071","727210","Present",NA,NA
+"23072","4-(4H-1,4-Benzothiazin-2-yl)-N-(4-chlorophenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4H-1,4-Benzothiazin-2-yl)-N-(4-chlorophenyl)-2,4-dioxobutanamide",NA,"C1=CC=C2C(=C1)NC=C(S2)C(=O)CC(=O)C(=O)NC3=CC=C(C=C3)Cl","UHMODYWLYCEOBZ-UHFFFAOYSA-N",366533,NA,"PDBC23072","635142","Present",NA,NA
+"23073","4-(5'-Bromofuran-2'-yl)-3-bromo-but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5'-bromofuran-2'-yl)-3-bromo-but-3-en-2-one",NA,"CC(=O)C(=CC1=CC=C(O1)Br)Br","NAFYCKOMKHQPGG-DAXSKMNVSA-N",45028185,NA,"PDBC23073","741412","Present",NA,NA
+"23074","4-(5,6,7,8,9,9a-Hexahydro-4bH-benzo[3,4]cyclobuta[1,2-a]cyclohepten-4b-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5,6,7,8,9,9a-Hexahydro-4bH-benzo[3,4]cyclobuta[1,2-a]cyclohepten-4b-yl)morpholine",NA,"C1CCC2C3=CC=CC=C3C2(CC1)N4CCOCC4","UQCULCXVYGZGMQ-UHFFFAOYSA-N",375511,NA,"PDBC23074","655292","Present",NA,NA
+"23075","4-(5,7-Diimino-4,5,6,7-tetrahydro-2H-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5,7-Diamino-2h-[1,2,3]triazolo[4,5-d]pyrimidin-2-yl)benzoic acid",NA,"C1=CC(=CC=C1C(=O)O)N2N=C3C(=NC(=NC3=N2)N)N","KVXBIHJXRSJPIE-UHFFFAOYSA-N",271891,NA,"PDBC23075","115883","Present",NA,NA
+"23076","4-(5-(4-(Hydroxy(oxido)amino)phenyl)-2-furyl)-2-(4-toluidino)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-(4-(Hydroxy(oxido)amino)phenyl)-2-furyl)-2-(4-toluidino)-1,3-thiazole",NA,"CC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]","WKAJOJSMWLRESF-UHFFFAOYSA-N",367868,NA,"PDBC23076","638034","Present",NA,NA
+"23077","4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)Cl","APWBWASUHPOENO-UHFFFAOYSA-N",374213,NA,"PDBC23077","651703","Present",NA,NA
+"23078","4-(5-(4-Chlorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)-1,2-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-(4-Chlorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)-1,2-benzenediol",NA,"C1=CC(=CN=C1)C2=C(NC(=N2)C3=CC(=C(C=C3)O)O)C4=CC=C(C=C4)Cl","XBQFLECFOCZWAR-UHFFFAOYSA-N",388626,NA,"PDBC23078","683637","Present",NA,NA
+"23079","4-(5-(4-Chlorophenyl)-4-(pyridin-3-yl)-1H-imidazol-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-(4-chlorophenyl)-4-(pyridin-3-yl)-1H- imidazol-2-yl...",NA,"C1=CC(=CN=C1)C2=C(NC(=N2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)Cl","GOSRVAHFGDUDAX-UHFFFAOYSA-N",388623,NA,"PDBC23079","683634","Present",NA,NA
+"23080","4-(5-(4-Fluorophenyl)-4-(2-quinolinyl)-1H-imidazol-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-(4-Fluorophenyl)-4-(2-quinolinyl)-1H-imidazol-2-yl)phenol",NA,"C1=CC=C2C(=C1)C=CC(=N2)C3=C(N=C(N3)C4=CC=C(C=C4)O)C5=CC=C(C=C5)F","XDFZVUJUBUNVRP-UHFFFAOYSA-N",388624,NA,"PDBC23080","683635","Present",NA,NA
+"23081","4-(5-(4-Fluorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-(4-Fluorophenyl)-4-(3-pyridinyl)-1H-imidazol-2-yl)phenol",NA,"C1=CC(=CN=C1)C2=C(NC(=N2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)F","BXBBQCDMNMVTBC-UHFFFAOYSA-N",388625,NA,"PDBC23081","683636","Present",NA,NA
+"23082","4-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-(4-Methoxyphenyl)-1,3,4-oxadiazol-2-yl)-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(O3)C4=CC=C(C=C4)OC","MCNUDOMMWCXLIU-UHFFFAOYSA-N",374212,NA,"PDBC23082","651702","Present",NA,NA
+"23083","4-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)-2-butenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-4-(5-Amino-4-carbamoyl-imidazol-1-yl)but-2-enyl] acetate",NA,"CC(=O)OCC=CCN1C=NC(=C1N)C(=O)N","GONVAVFLQGQCSK-NSCUHMNNSA-N",5785808,NA,"PDBC23083","676402","Present",NA,NA
+"23084","4-(5-Amino-4-cyano-1,3-oxazol-2-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-Amino-4-cyano-1,3-oxazol-2-yl)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC3=NC(=C(O3)N)C#N)C(=O)O","WIPOYNURXKUHNM-UHFFFAOYSA-N",389099,NA,"PDBC23084","684784","Present",NA,NA
+"23085","4-(5-Aminonaphthalene-2-sulfonamido)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-aminonaphthalene-2-sulfonamido)benzoic acid",NA,"C1=CC2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)C(=C1)N","BAYMNCHSODLCJV-UHFFFAOYSA-N",235593,NA,"PDBC23085","37173","Present",NA,NA
+"23086","4-(5-Bromo-1-methylpyrrolo[2,3-b]pyridin-3-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(7-azaindol-3-yl)-1,3-thiazol-4-yl)-5-bromo-1-methy...",NA,"CN1C=C(C2=C1N=CC(=C2)Br)C3=CSC(=N3)C4=CNC5=C4C=CC=N5","BDODDYMVFYSHKH-UHFFFAOYSA-N",155805042,NA,"PDBC23086","760313","Present",NA,NA
+"23087","4-(5-Bromo-1H-indol-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-Bromo-1H-indol-3-yl)-2-(1H-indol-3-yl)-1,3-thiazole",NA,"C1=CC=C2C(=C1)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=C(C=C5)Br","SUVOMQLBNJMOJC-UHFFFAOYSA-N",397544,NA,"PDBC23087","705864","Present",NA,NA
+"23088","4-(5-Bromo-1H-indol-3-yl)-2-(6-bromo-1H-indol-3-yl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-Bromo-1H-indol-3-yl)-2-(6-bromo-1H-indol-3-yl)-1,3-thiazole",NA,"C1=CC2=C(C=C1Br)NC=C2C3=NC(=CS3)C4=CNC5=C4C=C(C=C5)Br","JTEGNPNFMRHPOS-UHFFFAOYSA-N",397550,NA,"PDBC23088","705870","Present",NA,NA
+"23089","4-(5-Chloro-1H-benzimidazol-2-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL374142",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)Cl)C(=O)O","NZFGXUUCPFNSSR-UHFFFAOYSA-N",376351,NA,"PDBC23089","657183","Present",NA,NA
+"23090","4-(5-Chloro-2-thienyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-Chloro-2-thienyl)-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,"C1=CSC(=C1)C(=O)C(CC(=O)C2=CC=C(S2)Cl)C3=CSC=C3","ZGXNMTVHFWADMX-UHFFFAOYSA-N",376707,NA,"PDBC23090","657753","Present",NA,NA
+"23091","4-(5-Chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-Chlorothiophen-2-yl)-N-(2-ethyl-6-methylphenyl)-2,4-dioxobutanamide",NA,"CCC1=CC=CC(=C1NC(=O)C(=O)CC(=O)C2=CC=C(S2)Cl)C","IREFLQCAAHMAHE-UHFFFAOYSA-N",358490,NA,"PDBC23091","618498","Present",NA,NA
+"23092","4-(5-Ethynyl-2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-[1,3]dioxan-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627084///NSC627085",NA,"CC1(OCC(C(O1)C2C(OC(O2)(C)C)C#C)O)C","OKUCVXZFHKMXLL-UHFFFAOYSA-N",362806,NA,"PDBC23092","627084///627085","Present",NA,NA
+"23093","4-(5-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-fluorobenzo[d]thiazol-2-yl)-2-methyl aniline",NA,"CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)N","IFWLHIIUGSEKKE-UHFFFAOYSA-N",396813,NA,"PDBC23093","703786","Present",NA,NA
+"23094","4-(5-Fluoro-1,3-benzothiazol-2-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AH054289",NA,"C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)F)N","JRGMCDOYPGMMEE-UHFFFAOYSA-N",399247,NA,"PDBC23094","709923","Present",NA,NA
+"23095","4-(5-Formyl-1,3-benzodioxol-4-yl)-1,3-benzodioxole-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-Bi[1,3-benzodioxole]-5,5'-dicarbaldehyde",NA,"C1OC2=C(O1)C(=C(C=C2)C=O)C3=C(C=CC4=C3OCO4)C=O","LVXQWUJVBYNZJS-UHFFFAOYSA-N",372297,NA,"PDBC23095","647356","Present",NA,NA
+"23096","4-(5-Formylfuran-2-yl)benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6914720",NA,"C1=CC(=CC=C1C2=CC=C(O2)C=O)S(=O)(=O)O","KUJZJDRDSDDLRJ-UHFFFAOYSA-N",381102,NA,"PDBC23096","667265","Present",NA,NA
+"23097","4-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-2-methylthiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-Methoxy-1-methyl-4,7-dioxoindol-3-yl)-2-methylthiazole",NA,"CC1=NC(=CS1)C2=CN(C3=C2C(=O)C(=CC3=O)OC)C","MNQRISIHUPZBEY-UHFFFAOYSA-N",392621,NA,"PDBC23097","693180","Present",NA,NA
+"23098","4-(5-Methyl-2-thiazolin-2-ylamino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AH057746",NA,"CC1CN=C(S1)NC2=CC=C(C=C2)S(=O)(=O)N","HVOJLSZZFBEAOA-UHFFFAOYSA-N",383603,NA,"PDBC23098","672021","Present",NA,NA
+"23099","4-(5-Methyl-2-thienyl)-2-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-Methyl-2-thienyl)-2-oxobutanoic acid",NA,"CC1=CC=C(S1)CCC(=O)C(=O)O","BAZNCHPAIKWYFC-UHFFFAOYSA-N",366803,NA,"PDBC23099","635575","Present",NA,NA
+"23100","4-(5-Oxo-2-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-Oxo-2-phenyl-1H-pyrazol-3-yl)pyridine-3-carboxylic acid",NA,"C1=CC=C(C=C1)N2C(=CC(=O)N2)C3=C(C=NC=C3)C(=O)O","WWZIJABQRVBLEI-UHFFFAOYSA-N",389476,NA,"PDBC23100","685684","Present",NA,NA
+"23101","4-(5-Phenylfuran-2-yl)benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17602",NA,"C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N.Cl","OLMFQZSBFFZCES-UHFFFAOYSA-N",54603891,NA,"PDBC23101","17602","Present",NA,NA
+"23102","4-(5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2,4,6-tetraen-3-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Morpholin-4-yl)-2-(2-pyridyl)-5,6,7,8,9,10-hexahydroc...",NA,"C1CCCC2=C(CC1)C3=C(N=C(N=C3S2)C4=CC=CC=N4)N5CCOCC5","BEHDFYFGWLKGJK-UHFFFAOYSA-N",72196728,NA,"PDBC23102","764313","Present",NA,NA
+"23103","4-(5-Tert-Butyl-1,3-dioxo-3,3a,3b,4,5,6,7,7a,12,12b-decahydrobenzo[c]pyrrolo[3,4-a]carbazol-2(1H)-yl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(9-Tert-butyl-3,5-dioxo-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraen-4-yl)phenyl] acetate",NA,"CC(=O)OC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","NGHZDEOYHINSAY-UHFFFAOYSA-N",381768,NA,"PDBC23103","668840","Present",NA,NA
+"23104","4-(5-Thiophen-2-ylthiophen-2-yl)-2,1,3-benzothiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[5-(2-Thienyl)-2-thienyl]-2,1,3-benzothiadiazole",NA,"C1=CC2=NSN=C2C(=C1)C3=CC=C(S3)C4=CC=CS4","HMJKBNPZAYGUTI-UHFFFAOYSA-N",396295,NA,"PDBC23104","701995","Present",NA,NA
+"23105","4-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5H-Chromeno[4,3-d]pyrimidin-2-ylamino)butanoic acid",NA,"C1C2=CN=C(N=C2C3=CC=CC=C3O1)NCCCC(=O)O","BLGUTJMVLOQHIW-UHFFFAOYSA-N",390583,NA,"PDBC23105","688106","Present",NA,NA
+"23106","4-(6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-13-yl)phenol",NA,"C1CC2=C(C3=C(C4=C(CC3)C=CC(=C4)Br)N=C2C5=C1C=CC(=C5)Br)C6=CC=C(C=C6)O","OJXUNOXCMIRRFT-UHFFFAOYSA-N",395733,NA,"PDBC23106","700532","Present",NA,NA
+"23107","4-(6,7-Dihydro-5H-benzo[a]cyclohepten-9-yl)-3,5-dimethylisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6,7-Dihydro-5H-benzo[a]cyclohepten-9-yl)-3,5-dimethylisoxazole",NA,"CC1=C(C(=NO1)C)C2=CCCCC3=CC=CC=C32","KJMBLGRZNSUYPG-UHFFFAOYSA-N",366361,NA,"PDBC23107","634737","Present",NA,NA
+"23108","4-(6,7-Dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)-N-...",NA,"CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4CCC5","JBSNOLNNNWMLEG-UHFFFAOYSA-N",155816577,NA,"PDBC23108","781146","Present",NA,NA
+"23109","4-(6,7-Dimethoxyisoquinolin-1-yl)-2-methoxyphenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627513",NA,"COC1=C(C=CC(=C1)C2=NC=CC3=CC(=C(C=C32)OC)OC)O.Cl","CLCFCJXIGZNOKQ-UHFFFAOYSA-N",362982,NA,"PDBC23109","627513","Present",NA,NA
+"23110","4-(6,7-Dimethyl-1,4-dioxidoquinoxalin-2-yl)-N-(4-ethoxyphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6,7-Dimethyl-1,4-dioxidoquinoxalin-2-yl)-N-(4-ethoxyphenyl)-2,4-dioxobutanamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C[N+](=O)C3=C(N2[O-])C=C(C(=C3)C)C","ODGIYOJXUVTTMH-UHFFFAOYSA-N",364328,NA,"PDBC23110","630343","Present",NA,NA
+"23111","4-(6,8,8-Trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6,8,8-Trimethyl-1,7-dihydro-[1,2,4]triazolo[4,3-b][1,2,4]triazepin-3-yl)aniline",NA,"CC1=NN2C(=NN=C2NC(C1)(C)C)C3=CC=C(C=C3)N","XJVSJJSJLNKGRZ-UHFFFAOYSA-N",369065,NA,"PDBC23111","640622","Present",NA,NA
+"23112","4-(6-((2-Hydroxyethyl)amino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[6-(2-Hydroxyethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxyphenol",NA,"CC1C(C2=CC3=C(C=C2OC1NCCO)OCO3)C4=CC(=C(C(=C4)OC)O)OC","PLYMCEKNTUNNOM-UHFFFAOYSA-N",383136,NA,"PDBC23112","671177","Present",NA,NA
+"23113","4-(6-(4-(Acetyloxy)phenyl)-1,2,4,5-tetraazin-3-yl)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-(4-(Acetyloxy)phenyl)-1,2,4,5-tetraazin-3-yl)phenyl acetate",NA,"CC(=O)OC1=CC=C(C=C1)C2=NN=C(N=N2)C3=CC=C(C=C3)OC(=O)C","TYKODHCBDTYDJS-UHFFFAOYSA-N",385841,NA,"PDBC23113","677238","Present",NA,NA
+"23114","4-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-(Diethylamino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol",NA,"CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)O)OC)C","OMMBEWHNDYJBLZ-UHFFFAOYSA-N",383129,NA,"PDBC23114","671170","Present",NA,NA
+"23115","4-(6-Aminopurin-9-yl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Aminopurin-9-yl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2-thione",NA,"CC(C)(C)[Si](C)(C)OCC1C2C(C(O1)N3C=NC4=C(N=CN=C43)N)OC(=S)O2","BPEOZWDRWRDXPZ-UHFFFAOYSA-N",357472,NA,"PDBC23115","616357","Present",NA,NA
+"23116","4-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Anilino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol",NA,"CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)O)OC","KIMKJIOHFAZKKP-UHFFFAOYSA-N",383135,NA,"PDBC23116","671176","Present",NA,NA
+"23117","4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(2,6-dichlorophenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(2,6-dichlorophenyl)azetidin-2-one",NA,"C1=CC(=C(C(=C1)Cl)N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl","MNJGKVUCKBAOIV-UHFFFAOYSA-N",402320,NA,"PDBC23117","716211","Present",NA,NA
+"23118","4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-chlorophenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-chlorophenyl)azetidin-2-one",NA,"C1=CC(=CC=C1N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl","IDWKHNRJAGCQDC-UHFFFAOYSA-N",402318,NA,"PDBC23118","716209","Present",NA,NA
+"23119","4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-methoxyphenyl)azetidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Bromo-2-chloroquinolin-3-yl)-3-chloro-1-(4-methoxyphenyl)azetidin-2-one",NA,"COC1=CC=C(C=C1)N2C(C(C2=O)Cl)C3=C(N=C4C=CC(=CC4=C3)Br)Cl","YZGQWJZFEFQYRQ-UHFFFAOYSA-N",402321,NA,"PDBC23119","716212","Present",NA,NA
+"23120","4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-((4-methylpiperazin-1-yl)methyl)phenol, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-chloro-2-methoxyacridin-9-ylamino)-2-((4-methylpipe...",NA,"CN1CCN(CC1)CC2=C(C=CC(=C2)NC3=C4C=C(C=CC4=NC5=C3C=CC(=C5)Cl)OC)O.Cl","JSMKCCIMZBFWNW-UHFFFAOYSA-N",54612358,NA,"PDBC23120","130813","Present",NA,NA
+"23121","4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-((diethylamino)methyl)phenol, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-((diethylamino...",NA,"CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O.Cl","YBRBNBZHYBLSCX-UHFFFAOYSA-N",24181668,NA,"PDBC23121","10666","Present",NA,NA
+"23122","4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-(pyrrolidin-1-ylmethyl)phenol, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Chloro-2-methoxyacridin-9-ylamino)-2-(pyrrolidin-1-...",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C=C4)O)CN5CCCC5.Cl","ASUQZHXPGCWMCY-UHFFFAOYSA-N",24181914,NA,"PDBC23122","12516","Present",NA,NA
+"23123","4-(6-Chloro-2H-chromen-3-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Chloro-2H-chromen-3-yl)benzoic acid",NA,"C1C(=CC2=C(O1)C=CC(=C2)Cl)C3=CC=C(C=C3)C(=O)O","PIOIBWBMPBCUMO-UHFFFAOYSA-N",374610,NA,"PDBC23123","652579","Present",NA,NA
+"23124","4-(6-Chloro-3-methyl-4-phenyl-2-quinolyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Chloro-3-methyl-4-phenyl-2-quinolyl)morpholine",NA,"CC1=C(C2=C(C=CC(=C2)Cl)N=C1N3CCOCC3)C4=CC=CC=C4","XIPISGAGLNSPPU-UHFFFAOYSA-N",494846,NA,"PDBC23124","633852","Present",NA,NA
+"23125","4-(6-Chloro-3-nitro-2H-chromen-2-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Chloro-3-nitro-2H-chromen-2-yl)benzonitrile",NA,"C1=CC(=CC=C1C#N)C2C(=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]","AJXMNMUPAFAGSL-UHFFFAOYSA-N",381074,NA,"PDBC23125","667225","Present",NA,NA
+"23126","4-(6-Chloroquinoxalin-2-yloxy)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 4-[(6-chloro-2-quinoxalinyl)oxy]-",NA,"C1=CC(=CC=C1O)OC2=CN=C3C=C(C=CC3=N2)Cl","UVYFSLAJRJHGJB-UHFFFAOYSA-N",10989408,NA,"PDBC23126","752339","Present",NA,NA
+"23127","4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-iodoaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-iodoaniline",NA,"C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)F)I)N","YTJFKVURYWRVQQ-UHFFFAOYSA-N",396350,NA,"PDBC23127","702154","Present",NA,NA
+"23128","4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Fluoro-1,3-benzothiazol-2-yl)-2-methylaniline",NA,"CC1=C(C=CC(=C1)C2=NC3=C(S2)C=C(C=C3)F)N","WKAIATUUHWQMHK-UHFFFAOYSA-N",396352,NA,"PDBC23128","702156","Present",NA,NA
+"23129","4-(6-Fluoro-1,3-benzothiazol-2-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C13H9FN2S",NA,"C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)F)N","FIHRCVGMRDXVHA-UHFFFAOYSA-N",396349,NA,"PDBC23129","702153","Present",NA,NA
+"23130","4-(6-Formyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Formyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carbaldehyde",NA,"C1OC2=C(O1)C(=C(C=C2)C=O)C3=CC4=C(C=C3C=O)OCO4","ZYOJKEQLLZLOQU-UHFFFAOYSA-N",372310,NA,"PDBC23130","647369","Present",NA,NA
+"23131","4-(6-Formyl-2,3,4-trimethoxyphenyl)-1,3-benzodioxole-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Formyl-2,3,4-trimethoxyphenyl)-1,3-benzodioxole-5-carbaldehyde",NA,"COC1=C(C(=C(C(=C1)C=O)C2=C(C=CC3=C2OCO3)C=O)OC)OC","XGUFABFDVMVGGF-UHFFFAOYSA-N",372305,NA,"PDBC23131","647364","Present",NA,NA
+"23132","4-(6-Hydrazino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Hydrazino-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)-2,6-dimethoxyphenol",NA,"CC1C(C2=CC3=C(C=C2OC1NN)OCO3)C4=CC(=C(C(=C4)OC)O)OC","SWKDOMTZLKUFNX-UHFFFAOYSA-N",383133,NA,"PDBC23132","671174","Present",NA,NA
+"23133","4-(6-Imino-3-methyl-1-(phenylacetyl)-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-1,3-benzenediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(2,4- dihydrox...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=C(C=C(C=C3)O)O)C(=O)CC4=CC=CC=C4","XHZINRPMSVVDRP-UHFFFAOYSA-N",376465,NA,"PDBC23133","657379","Present",NA,NA
+"23134","4-(6-Imino-3-methyl-1-(phenylacetyl)-1,4,6,7-tetrahydropyrazolo[3,4-d][1,3]thiazin-4-yl)-2-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-hydroxy- 3-...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)O)OC)C(=O)CC4=CC=CC=C4","FLXXMSSPZPMSQN-UHFFFAOYSA-N",376468,NA,"PDBC23134","657382","Present",NA,NA
+"23135","4-(6-Iodo-4-oxo-2-(2-thienyl)-3H-quinazolin-3-yl)benzenesulf onamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-iodo-4-oxo-2-(2-thienyl)-3H-quinazolin-3-yl)benzene...",NA,"C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)N","XCCVNECOLPVDDK-UHFFFAOYSA-N",404720,NA,"PDBC23135","721191","Present",NA,NA
+"23136","4-(6-Methoxy-1H-indol-3-yl)-4-piperidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinol, 4-(6-methoxy-1H-indol-3-yl)-",NA,"COC1=CC2=C(C=C1)C(=CN2)C3(CCNCC3)O","QNDSCDZSZHZARY-UHFFFAOYSA-N",362469,NA,"PDBC23136","626419","Present",NA,NA
+"23137","4-(6-Methoxyimidazo[1,2-a]pyridin-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801523",NA,"COC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)O","ZHWJONXIBRILIF-UHFFFAOYSA-N",398288,NA,"PDBC23137","708002","Present",NA,NA
+"23138","4-(6-Methoxynaphthalen-2-yl)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Methoxy-2-naphthyl)-4-oxobutanoic acid",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)CCC(=O)O","YZMQJAKSFUZRNH-UHFFFAOYSA-N",240466,NA,"PDBC23138","46669","Present",NA,NA
+"23139","4-(6-Methoxyquinolin-2-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Methoxyquinolin-2-yl)phenol",NA,"COC1=CC2=C(C=C1)N=C(C=C2)C3=CC=C(C=C3)O","UHPHCUBVWLTRQH-UHFFFAOYSA-N",372264,NA,"PDBC23139","647320","Present",NA,NA
+"23140","4-(6-Thioguanine)-7-nitro-2,1,3-benzoxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-Thioguanine)-7-nitro-2,1,3-benzoxadiazole",NA,"C1=C(C2=NON=C2C(=C1)SC3=NC(=NC4=C3NC=N4)N)[N+](=O)[O-]","NPXXCZXQTLRXTP-UHFFFAOYSA-N",3246652,NA,"PDBC23140","348401","Present",NA,NA
+"23141","4-(6-chlorochroman-3-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-chlorochroman-3-yl)benzoic acid",NA,"C1C(COC2=C1C=C(C=C2)Cl)C3=CC=C(C=C3)C(=O)O","IKIPJRAJLLHCEX-UHFFFAOYSA-N",374611,NA,"PDBC23141","652580","Present",NA,NA
+"23142","4-(7,10-Dihydroxy-6,11-dioxo-13H-naphtho[2,3-b][1,4]benzoxazepin-12-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7,10-dihydroxy-6,11-dioxobenzo[f]naphtho[2,3-b][1,4]o...",NA,"C1C2=CC=CC=C2OC3=C(N1C4=CC=C(C=C4)C#N)C(=O)C5=C(C=CC(=C5C3=O)O)O","HLNFJUMBEWNQDW-UHFFFAOYSA-N",155807173,NA,"PDBC23142","787553","Present",NA,NA
+"23143","4-(7-(4-((5-(1,2-Dithiolan-3-yl)pentanoyl)oxy)-3-methoxyphenyl)-3,5-dioxo-1,6-heptadienyl)-2-methoxyphenyl 5-(1,2-dithiolan-3-yl)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(1E,6E)-7-[4-[5-(Dithiolan-3-yl)pentanoyloxy]-3-methoxyphenyl]-3,5-dioxohepta-1,6-dienyl]-2-methoxyphenyl] 5-(dithiolan-3-yl)pentanoate",NA,"COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)OC(=O)CCCCC3CCSS3)OC)OC(=O)CCCCC4CCSS4","DPVWJNIHOZALNN-JOBJLJCHSA-N",5470826,NA,"PDBC23143","705592","Present",NA,NA
+"23144","4-(7-(Benzylamino)-5-(4-hydroxyphenyl)-4-oxo-3,5-d]pyrimidin-2-ylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-(benzylamino)-5-(4-hydroxyphenyl)-4-oxo-3,4-dihydro...",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC4=NC(=NC(=C4C(=O)N3)C5=CC=C(C=C5)O)NCC6=CC=CC=C6)C","WVSGVGVNAQHUJQ-UHFFFAOYSA-N",135958480,NA,"PDBC23144","745476","Present",NA,NA
+"23145","4-(7-Amino-5-ethyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-Amino-5-ethyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile",NA,"CCC1=NC(=C2C(=N1)OC(=N2)C3=CC=C(C=C3)C#N)N","HKUGVRJSNFNYIF-UHFFFAOYSA-N",387394,NA,"PDBC23145","681142","Present",NA,NA
+"23146","4-(7-Amino-5-hydroxy-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-Amino-5-hydroxy-1,4-dihydropyrimido[4,5-d]pyrimidin-3(2H)-yl)benzenesulfonamide",NA,"C1C2=C(NCN1C3=CC=C(C=C3)S(=O)(=O)N)N=C(NC2=O)N","IINCNPYFRSFCNX-UHFFFAOYSA-N",135403642,NA,"PDBC23146","92588","Present",NA,NA
+"23147","4-(7-Amino-5-phenyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-Amino-5-phenyl[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile",NA,"C1=CC=C(C=C1)C2=NC(=C3C(=N2)OC(=N3)C4=CC=C(C=C4)C#N)N","PJYHAKBFVRVIRZ-UHFFFAOYSA-N",387395,NA,"PDBC23147","681143","Present",NA,NA
+"23148","4-(7-Amino[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-Amino[1,3]oxazolo[5,4-d]pyrimidin-2-yl)benzonitrile",NA,"C1=CC(=CC=C1C#N)C2=NC3=C(N=CN=C3O2)N","YLTVFFDVCYRXMO-UHFFFAOYSA-N",387393,NA,"PDBC23148","681141","Present",NA,NA
+"23149","4-(7-Hydroxy[1,8]naphthyridin-2-yl)-1-piperazinecarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-Hydroxy[1,8]naphthyridin-2-yl)-1-piperazinecarbaldehyde",NA,"C1CN(CCN1C=O)C2=NC3=C(C=CC(=O)N3)C=C2","SEHMWXCUJLLEPQ-UHFFFAOYSA-N",5466378,NA,"PDBC23149","687683","Present",NA,NA
+"23150","4-(7-Methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-Methyl-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C(=C(C=C5)OC)OC)OC","HGHUYKKORHUPOC-UHFFFAOYSA-N",380578,NA,"PDBC23150","666228","Present",NA,NA
+"23151","4-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-Methyl-8-(2,4,6-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C=C(C=C5OC)OC)OC","UDLVQRWGRXVIGM-UHFFFAOYSA-N",380588,NA,"PDBC23151","666238","Present",NA,NA
+"23152","4-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-1,3-Dioxolo[4,5-g][1]benzopyran, 7,8-dihydro- 7-methy...",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","NIAGVHRQRDGPQR-UHFFFAOYSA-N",380567,NA,"PDBC23152","666217","Present",NA,NA
+"23153","4-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(8-(1,3-Benzodioxol-5-yl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC6=C(C=C5)OCO6","OFUMSTVCETVCLF-UHFFFAOYSA-N",380572,NA,"PDBC23153","666222","Present",NA,NA
+"23154","4-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C(=CC=C5)OC)OC","HDTMGYJCRVULBM-UHFFFAOYSA-N",380569,NA,"PDBC23154","666219","Present",NA,NA
+"23155","4-(8-(2,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(8-(2,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=C(C=C(C=C5)OC)OC","NJSSNAKBDXXDTB-UHFFFAOYSA-N",380570,NA,"PDBC23155","666220","Present",NA,NA
+"23156","4-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(8-(2-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=CC=C5OC","PFCLMKILYKMDPO-UHFFFAOYSA-N",380566,NA,"PDBC23156","666216","Present",NA,NA
+"23157","4-(8-(3,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(8-(3,4-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C=C5)OC)OC","ZPZCSHSXNVEFPP-UHFFFAOYSA-N",380575,NA,"PDBC23157","666225","Present",NA,NA
+"23158","4-(8-(4-Chlorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(8-(4-Chlorophenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=C(C=C5)Cl","MTZMFRTXAVZTJP-UHFFFAOYSA-N",380581,NA,"PDBC23158","666231","Present",NA,NA
+"23159","4-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)morpholine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC=C(C=C5)OC","YALHRVPUHAFPQG-UHFFFAOYSA-N",380565,NA,"PDBC23159","666215","Present",NA,NA
+"23160","4-(8-(Aminocarbonyl)-6,7-dimethyl-4-oxo-4H-chromen-2-yl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(8-(Aminocarbonyl)-6,7-dimethyl-4-oxo-4H-chromen-2-yl)benzoic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)N)OC(=CC2=O)C3=CC=C(C=C3)C(=O)O","URLAHZRXOKHCHA-UHFFFAOYSA-N",364121,NA,"PDBC23160","629790","Present",NA,NA
+"23161","4-(8-Methoxy-3-nitro-2H-chromen-2-yl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(8-Methoxy-3-nitro-2H-chromen-2-yl)benzonitrile",NA,"COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)C#N","XVVGBUXDPDFKTQ-UHFFFAOYSA-N",381075,NA,"PDBC23161","667226","Present",NA,NA
+"23162","4-(9-Acridinylthio)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzeneamine, 4-[(9-acridinyl)thio]-",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CC=C(C=C4)N","JYBPGFSVVDVWIC-UHFFFAOYSA-N",371141,NA,"PDBC23162","645145","Present",NA,NA
+"23163","4-(9-Anthrylmethyl)-7-methoxy-8-isoquinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(9-Anthrylmethyl)-7-methoxy-8-isoquinolinol",NA,"COC1=C(C2=C(C=C1)C(=CN=C2)CC3=C4C=CC=CC4=CC5=CC=CC=C53)O","JHFFMOBBXABAMC-UHFFFAOYSA-N",135431975,NA,"PDBC23163","131734","Present",NA,NA
+"23164","4-(9-Phenanthryl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(9-Phenanthryl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine",NA,"C1CNC(C2=C1NC=N2)C3=CC4=CC=CC=C4C5=CC=CC=C53","CBYUYCTYGJQFGR-UHFFFAOYSA-N",368197,NA,"PDBC23164","638625","Present",NA,NA
+"23165","4-(9H-Carbazol-9-ylamino)-3-methylphenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(9H-Carbazol-9-ylamino)-3-methylphenyl acetate",NA,"CC1=C(C=CC(=C1)OC(=O)C)NN2C3=CC=CC=C3C4=CC=CC=C42","NXKCPQKYXQJKFR-UHFFFAOYSA-N",375388,NA,"PDBC23165","655060","Present",NA,NA
+"23166","4-(Acetoacetylamino)phenyl sulfamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetoacetylamino)phenyl sulfamate",NA,"CC(=O)CC(=O)NC1=CC=C(C=C1)OS(=O)(=O)N","HFSOTMRDVHWYCU-UHFFFAOYSA-N",365129,NA,"PDBC23166","632229","Present",NA,NA
+"23167","4-(Acetyl) amphilectolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetyl) amphilectolide",NA,"CC1CCC2C(CC(C3(C2=C1C(=O)O3)C(=O)C)C=C(C)C)C","PXCHWVYLOMSEFM-GNZIPCMJSA-N",404627,NA,"PDBC23167","721055","Present",NA,NA
+"23168","4-(Acetylamino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-1-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)N(C2)C)NC(=O)C","DQQGEOTYVFSRGQ-UHFFFAOYSA-N",273548,NA,"PDBC23168","118836","Present",NA,NA
+"23169","4-(Acetylamino)-N-(2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(2-(2,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=C(C=C(C=C3)OC)OC","VIZWKYMCGBCGHE-UHFFFAOYSA-N",375548,NA,"PDBC23169","655336","Present",NA,NA
+"23170","4-(Acetylamino)-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C(=C3)Br)O)OC","ZCJAKMCEPSEHHG-UHFFFAOYSA-N",374186,NA,"PDBC23170","651662","Present",NA,NA
+"23171","4-(Acetylamino)-N-(2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC=C(C=C3)[N+](=O)[O-]","DEDOOFKBHPSBOY-UHFFFAOYSA-N",375547,NA,"PDBC23171","655335","Present",NA,NA
+"23172","4-(Acetylamino)-N-(2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC=C(C=C3)O","MCHUTPWPBRZRBK-UHFFFAOYSA-N",375546,NA,"PDBC23172","655334","Present",NA,NA
+"23173","4-(Acetylamino)-N-(2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC=C(C=C3)OC","ASLIDZCDIOKTLE-UHFFFAOYSA-N",375545,NA,"PDBC23173","655333","Present",NA,NA
+"23174","4-(Acetylamino)-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=C(C=CC(=C3)Br)O","KWNMQIRTJRMJMU-UHFFFAOYSA-N",374190,NA,"PDBC23174","651666","Present",NA,NA
+"23175","4-(Acetylamino)-N-(3-chloro-2-(2-furylmethylene)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(3-chloro-2-(2-furylmethylene)-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(=CC3=CC=CO3)C(C2=O)Cl","RBFYPIYXDYCZLF-ZROIWOOFSA-N",6477374,NA,"PDBC23175","651665","Present",NA,NA
+"23176","4-(Acetylamino)-N-(3-chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(3-chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3O","KOORPEXWDFHDOD-UHFFFAOYSA-N",374180,NA,"PDBC23176","651656","Present",NA,NA
+"23177","4-(Acetylamino)-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)OC)OC","RWIZYFRKHLJFKW-UHFFFAOYSA-N",374185,NA,"PDBC23177","651661","Present",NA,NA
+"23178","4-(Acetylamino)-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=C(C(=CC(=C3)Br)Br)O","YNJWHZUHXFDTOL-UHFFFAOYSA-N",374188,NA,"PDBC23178","651664","Present",NA,NA
+"23179","4-(Acetylamino)-N-(3-chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(3-chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)[N+](=O)[O-]","UJKDDLCIUWQQGU-UHFFFAOYSA-N",374193,NA,"PDBC23179","651669","Present",NA,NA
+"23180","4-(Acetylamino)-N-(3-chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(3-chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-]","KLKYLTUVEVYSPX-UHFFFAOYSA-N",374183,NA,"PDBC23180","651659","Present",NA,NA
+"23181","4-(Acetylamino)-N-(3-chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(3-chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)Cl","QCEQRDCZBULHAX-UHFFFAOYSA-N",374192,NA,"PDBC23181","651668","Present",NA,NA
+"23182","4-(Acetylamino)-N-(3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)O)OC","YCHMHIPPMJWXPU-UHFFFAOYSA-N",374184,NA,"PDBC23182","651660","Present",NA,NA
+"23183","4-(Acetylamino)-N-(3-chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(3-chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O","FRYOMEJLSYGIOX-UHFFFAOYSA-N",374182,NA,"PDBC23183","651658","Present",NA,NA
+"23184","4-(Acetylamino)-N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3","RPSARJLPRTVKIJ-UHFFFAOYSA-N",374179,NA,"PDBC23184","651655","Present",NA,NA
+"23185","4-(Acetylamino)-N-(4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Acetylamino)-N-(4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl)benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","HRWLIZTXVYDLSM-UHFFFAOYSA-N",375549,NA,"PDBC23185","655337","Present",NA,NA
+"23186","4-(Aminomethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pamba",NA,"C1=CC(=CC=C1CN)C(=O)O","QCTBMLYLENLHLA-UHFFFAOYSA-N",65526,NA,"PDBC23186","41629","Present",NA,NA
+"23187","4-(Anilinomethyl)-N,N-bis(2-chloroethyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Anilinomethyl)-N,N-bis(2-chloroethyl)aniline",NA,"C1=CC=C(C=C1)NCC2=CC=C(C=C2)N(CCCl)CCCl","XWEUZDBSLDJWAS-UHFFFAOYSA-N",253728,NA,"PDBC23187","76937","Present",NA,NA
+"23188","4-(Anilinomethyl)-N-(4-chlorophenyl)phthalazin-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783920",NA,"C1=CC=C(C=C1)NCC2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Cl","XUECCVVYTGAOGP-UHFFFAOYSA-N",155805922,NA,"PDBC23188","783920","Present",NA,NA
+"23189","4-(Benzenesulfonyl)-1-[2-(furan-3-yl)-1,3-dioxolan-2-yl]-5,7-dimethyloct-6-en-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzenesulfonyl)-1-[2-(3-furyl)-1,3-dioxolan-2-yl]-5,7-dimethyl-oct-6-en-3-ol",NA,"CC(C=C(C)C)C(C(CCC1(OCCO1)C2=COC=C2)O)S(=O)(=O)C3=CC=CC=C3","JMAHDGVYPVQQEU-UHFFFAOYSA-N",395714,NA,"PDBC23189","700512","Present",NA,NA
+"23190","4-(Benzenesulfonyl)-2,2-dimethyl-1,5-benzodioxepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzenesulfonyl)-2,2-dimethyl-1,5-benzodioxepine",NA,"CC1(C=C(OC2=CC=CC=C2O1)S(=O)(=O)C3=CC=CC=C3)C","VSOBNHIKOBGTCE-UHFFFAOYSA-N",386473,NA,"PDBC23190","678499","Present",NA,NA
+"23191","4-(Benzenesulfonyl)-7-methyl-1-(2-methyl-1,3-dioxolan-2-yl)oct-6-ene-3,5-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzenesulfonyl)-7-methyl-1-(2-methyl-1,3-dioxolan-2-yl)oct-6-ene-3,5-diol",NA,"CC(=CC(C(C(CCC1(OCCO1)C)O)S(=O)(=O)C2=CC=CC=C2)O)C","RDJDOTSCUNITOZ-UHFFFAOYSA-N",395715,NA,"PDBC23191","700513","Present",NA,NA
+"23192","4-(Benzenesulfonyl)but-2-ynylsulfonylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butyne, 1,4-bis(phenylsulfonyl)-",NA,"C1=CC=C(C=C1)S(=O)(=O)CC#CCS(=O)(=O)C2=CC=CC=C2","WWLQHAQPJMNZBH-UHFFFAOYSA-N",400843,NA,"PDBC23192","713368","Present",NA,NA
+"23193","4-(Benzhydrylideneamino)-3-ethyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzhydrylideneamino)-5-ethyl-2h-1,2,4-triazol-3-one",NA,"CCC1=NNC(=O)N1N=C(C2=CC=CC=C2)C3=CC=CC=C3","LCZQEXRTQGLNAB-UHFFFAOYSA-N",397827,NA,"PDBC23193","706417","Present",NA,NA
+"23194","4-(Benzhydrylideneamino)-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzhydrylideneamino)-5-methyl-2h-1,2,4-triazol-3-one",NA,"CC1=NNC(=O)N1N=C(C2=CC=CC=C2)C3=CC=CC=C3","KYZWZOMAOZALDU-UHFFFAOYSA-N",397825,NA,"PDBC23194","706415","Present",NA,NA
+"23195","4-(Benzimidazol-1-yl)-6,8,11-trimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-benzo[d]imidazol-1-yl)-6,8,11-trimethyl-6,11-dihyd...",NA,"CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)C)C)N4C=NC5=CC=CC=C54","DMGFYWZVQXIMLP-UHFFFAOYSA-N",155814838,NA,"PDBC23195","786114","Present",NA,NA
+"23196","4-(Benzimidazol-1-yl)-8-methoxy-6,11-dimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-benzo[d]imidazol-1-yl)-8-methoxy-6,11-dimethyl-6,1...",NA,"CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)OC)C)N4C=NC5=CC=CC=C54","VSNUFFDGOMOKCA-UHFFFAOYSA-N",155805455,NA,"PDBC23196","782548","Present",NA,NA
+"23197","4-(Benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyph...",NA,"CN1N=C(C(=N1)C2=CC3=CC=CC=C3S2)C4=CC(=C(C(=C4)OC)OC)OC","PRHJOOURPYYDPA-UHFFFAOYSA-N",127036247,NA,"PDBC23197","781600","Present",NA,NA
+"23198","4-(Benzo[d]oxazol-2-yl)-2-thiocyanatobenzenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzo[d]oxazol-2-yl)-2-thiocyanatobenzenamine",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)N)SC#N","MZNVXAYGRQLPSM-UHFFFAOYSA-N",24204324,NA,"PDBC23198","731366","Present",NA,NA
+"23199","4-(Benzo[d]thiazol-2-yl)-2-bromoaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aniline, 2-bromo-4-(2-benzothiazolyl)-",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)Br","PZNQWLHSPUPLEL-UHFFFAOYSA-N",387948,NA,"PDBC23199","682301","Present",NA,NA
+"23200","4-(Benzothien-2''-yl)-3-acetylethenyl-1,-dihydronaphthalen e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzothien-2''-yl)-3-acetylethenyl-1,2,-dihydronaphth...",NA,"CC(=O)C=CC1=C(C2=CC=CC=C2CC1)C3=CC4=CC=CC=C4S3","TWLAAKDEEIVIIY-ZHACJKMWSA-N",24205615,NA,"PDBC23200","736242","Present",NA,NA
+"23201","4-(Benzotriazol-1-ylmethyl)-2-methyl-5-nitro-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzotriazol-1-ylmethyl)-2-methyl-5-nitro-benzotriazole",NA,"CN1N=C2C=CC(=C(C2=N1)CN3C4=CC=CC=C4N=N3)[N+](=O)[O-]","BGXKBBIXBGDHDI-UHFFFAOYSA-N",389381,NA,"PDBC23201","685429","Present",NA,NA
+"23202","4-(Benzyl-isopropyl-amino)-5-mercapto-[1,2]dithiole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzyl-isopropyl-amino)-5-mercapto-[1,2]dithiole-3-th...",NA,"CC(C)N(CC1=CC=CC=C1)C2=C(SSC2=S)S","WAWBNFNVNUWTBN-UHFFFAOYSA-N",45028241,NA,"PDBC23202","741889","Present",NA,NA
+"23203","4-(Benzylamino)-6-(1H-indol-3-yl)-4,5-dihydro-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzylamino)-6-(1H-indol-3-yl)-4,5-dihydro-3(2H)-pyridazinone",NA,"C1C(C(=O)NN=C1C2=CNC3=CC=CC=C32)NCC4=CC=CC=C4","XRBKJTOJCKAIQN-UHFFFAOYSA-N",392041,NA,"PDBC23203","691840","Present",NA,NA
+"23204","4-(Benzylideneamino)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzylideneamino)-1,2,4-triazolidine-3,5-dione",NA,"C1=CC=C(C=C1)C=NN2C(=O)NNC2=O","QAAGQSWYWAIPRV-UXBLZVDNSA-N",9571626,NA,"PDBC23204","691119","Present",NA,NA
+"23205","4-(Benzyloxy)-2-((5,6,7-trimethoxy-1-isoquinolinyl)methyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzyloxy)-2-((5,6,7-trimethoxy-1-isoquinolinyl)methyl)aniline",NA,"COC1=C(C(=C2C=CN=C(C2=C1)CC3=C(C=CC(=C3)OCC4=CC=CC=C4)N)OC)OC","FGNZZSQEGAKWMZ-UHFFFAOYSA-N",363298,NA,"PDBC23205","628118","Present",NA,NA
+"23206","4-(Benzyloxy)-2-hydroxybutanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzyloxy)-2-hydroxybutanenitrile",NA,"C1=CC=C(C=C1)COCCC(C#N)O","KMIYMJQNHUMXPH-UHFFFAOYSA-N",390881,NA,"PDBC23206","688992","Present",NA,NA
+"23207","4-(Benzyloxy)-3-chlorobenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL573083",NA,"C1=CC=C(C=C1)COC2=C(C=C(C=C2)C(=O)O)Cl","MQUAYIQAPMFLCC-UHFFFAOYSA-N",308481,NA,"PDBC23207","210282","Present",NA,NA
+"23208","4-(Benzyloxy)-N-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL432251",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NO","DKQPCTOULAMBDP-UHFFFAOYSA-N",392396,NA,"PDBC23208","692760","Present",NA,NA
+"23209","4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzyloxy)-n,n-bis(2-chloroethyl)aniline",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)N(CCCl)CCCl","AICZHGUHMDUPES-UHFFFAOYSA-N",254980,NA,"PDBC23209","80111","Present",NA,NA
+"23210","4-(Benzyloxy)phenyl 2-methylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK699265",NA,"CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)OCC3=CC=CC=C3","VAUDJIBDOMUTDP-UHFFFAOYSA-N",358340,NA,"PDBC23210","618305","Present",NA,NA
+"23211","4-(Benzyloxymethyl)-2,6-dimethoxy-tetrahydropyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzyloxymethyl)-2,6-dimethoxy-tetrahydropyran",NA,"COC1CC(CC(O1)OC)COCC2=CC=CC=C2","PXFKOSQMSTUDRQ-UHFFFAOYSA-N",395355,NA,"PDBC23211","699837","Present",NA,NA
+"23212","4-(Benzylthio)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655924///NSC655928",NA,"CC1(C2C1CC(C(C2)SCC3=CC=CC=C3)(C)O)C","NEDQAGMACUPKPI-UHFFFAOYSA-N",375774,NA,"PDBC23212","655924///655928","Present",NA,NA
+"23213","4-(Bis(benzylthio)methyl)-2-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Bis(benzylthio)methyl)-2-methoxyphenol",NA,"COC1=C(C=CC(=C1)C(SCC2=CC=CC=C2)SCC3=CC=CC=C3)O","PTUYZBMHYZLAGC-UHFFFAOYSA-N",377592,NA,"PDBC23213","659159","Present",NA,NA
+"23214","4-(Bis(diphenylphosphoryl)methyl)-2,6-di-tert-butylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Bis(diphenylphosphoryl)methyl)-2,6-di-tert-butylphenol",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5","VOOWUQXUNZHNLJ-UHFFFAOYSA-N",378742,NA,"PDBC23214","661841","Present",NA,NA
+"23215","4-(Bis(ethylthio)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Bis(ethylthio)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",NA,"CCSC(=C1C(=NN(C1=O)C2=CC=CC=C2)C)SCC","GVCWTWODXXCPHT-UHFFFAOYSA-N",370532,NA,"PDBC23215","643759","Present",NA,NA
+"23216","4-(Bis(methylthio)methylene)-3,4-dihydro-1H-1-benzazepine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Bis(methylthio)methylene)-3,4-dihydro-1H-1-benzazepine-2,5-dione",NA,"CSC(=C1CC(=O)NC2=CC=CC=C2C1=O)SC","VVEZVVLYCIMJAC-UHFFFAOYSA-N",387017,NA,"PDBC23216","680338","Present",NA,NA
+"23217","4-(Bis(octylthio)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Bis(octylthio)methylene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one",NA,"CCCCCCCCSC(=C1C(=NN(C1=O)C2=CC=CC=C2)C)SCCCCCCCC","QMEMKRAMGPZZCT-UHFFFAOYSA-N",370533,NA,"PDBC23217","643760","Present",NA,NA
+"23218","4-(Bis{2-[(methanesulfonyl)oxy]ethyl}amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-",NA,"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C(=O)O","DGLJGZXRIMUUSW-UHFFFAOYSA-N",246504,NA,"PDBC23218","59640","Present",NA,NA
+"23219","4-(Bromomethyl)-2,2,5,5-tetramethyl-1-imidazolidinol 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Bromomethyl)-2,2,5,5-tetramethyl-1-imidazolidinol 3-oxide",NA,"CC1(C(=[N+](C(N1O)(C)C)[O-])CBr)C","DXZAIXOZCUYCQT-UHFFFAOYSA-N",378673,NA,"PDBC23219","661470","Present",NA,NA
+"23220","4-(Bromomethyl)-7-hydroxy-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GEO-02733",NA,"C1=CC2=C(C=C1O)OC(=O)C=C2CBr","XFNVWGFZARBVBT-UHFFFAOYSA-N",5465897,NA,"PDBC23220","667229","Present",NA,NA
+"23221","4-(Bromomethyl)pent-4-enoxymethylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Bromomethyl)pent-4-enoxymethylbenzene",NA,"C=C(CCCOCC1=CC=CC=C1)CBr","LAOXPBWUTRNKTE-UHFFFAOYSA-N",390880,NA,"PDBC23221","688991","Present",NA,NA
+"23222","4-(Butylamino)-2,6-dihydrofuro[3,4-c]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Butylamino)-2,6-dihydrofuro[3,4-c]pyrazol-3-one",NA,"CCCCN=C1C2=C(CO1)NNC2=O","ZPKXGIKSHMQCCD-UHFFFAOYSA-N",369441,NA,"PDBC23222","641211","Present",NA,NA
+"23223","4-(Butylthio)-3,4-dihydro-2H-benzo[h]thiochromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-butylthio-3,4-dihydro-2H-naphtho[1,2-b]thiopyran",NA,"CCCCSC1CCSC2=C1C=CC3=CC=CC=C32","YKURUWBKTOPJDP-UHFFFAOYSA-N",362057,NA,"PDBC23223","625574","Present",NA,NA
+"23224","4-(C,N-Diphenylcarbonimidoyl)-2-phenyl-1H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(C,N-Diphenylcarbonimidoyl)-2-phenyl-1H-pyrazol-3-one",NA,"C1=CC=C(C=C1)C(=NC2=CC=CC=C2)C3=CNN(C3=O)C4=CC=CC=C4","DFRCUBWXXIUGOS-UHFFFAOYSA-N",358967,NA,"PDBC23224","619160","Present",NA,NA
+"23225","4-(Chloroamino)but-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Chloroamino)but-2-yn-1-ol",NA,"C(C#CCO)NCl","VIPYIGYVTCHTPP-UHFFFAOYSA-N",359216,NA,"PDBC23225","619925","Present",NA,NA
+"23226","4-(Chloromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Chloromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CCl","ZGDQREXUQGFNOL-UHFFFAOYSA-N",389989,NA,"PDBC23226","686783","Present",NA,NA
+"23227","4-(Chloromethyl)benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK113959",NA,"C1=CC(=CC=C1CCl)C=O","FNIFQOISPAAFQF-UHFFFAOYSA-N",357877,NA,"PDBC23227","617411","Present",NA,NA
+"23228","4-(Cyclohexylamino)-1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Cyclohexylamino)-1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]dec-3-en-2-one",NA,"C1CCC(CC1)N=C2C3(CCN(CC3)CCC4=CC=CC=C4)N(C(=O)N2)C5=CC=CC=C5","MWZFGYZICCREFL-UHFFFAOYSA-N",135409196,NA,"PDBC23228","665294","Present",NA,NA
+"23229","4-(Cyclohexylamino)-8-(3-(2-(4-fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyclohexylimino-8-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one",NA,"C1CCC(CC1)N=C2C3(CCN(CC3)CCCC4(OCCO4)C5=CC=C(C=C5)F)N(C(=O)N2)C6=CC=CC=C6","FWXGGHKHBXFTDI-UHFFFAOYSA-N",135409199,NA,"PDBC23229","665308","Present",NA,NA
+"23230","4-(Cyclohexylamino)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Cyclohexylamino)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-en-2-one",NA,"C1CCC(CC1)N=C2C3(CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)N(C(=O)N2)C5=CC=CC=C5","WNJFOIASXLHNBB-UHFFFAOYSA-N",135409200,NA,"PDBC23230","665310","Present",NA,NA
+"23231","4-(Dibenzo-p-dioxin-2-ylamino)-3,6-dinitrochromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-Dinitro-4-(oxanthren-2-ylamino)-2h-chromen-2-one",NA,"C1=CC=C2C(=C1)OC3=C(O2)C=C(C=C3)NC4=C(C(=O)OC5=C4C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","QYDCASLXNHRHKR-UHFFFAOYSA-N",403315,NA,"PDBC23231","718021","Present",NA,NA
+"23232","4-(Dibenzo-p-dioxin-2-ylamino)-3-nitrochromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-4-(oxanthren-2-ylamino)-2h-chromen-2-one",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC4=C(C=C3)OC5=CC=CC=C5O4","QFHPFBRUYZQBDU-UHFFFAOYSA-N",403314,NA,"PDBC23232","718020","Present",NA,NA
+"23233","4-(Dibutylamino)-3-nitro-2H-pyrido[1,2-a]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dibutylamino)-3-nitro-2H-pyrido[1,2-a]pyrimidin-2-one",NA,"CCCCN(CCCC)C1=C(C(=O)N=C2N1C=CC=C2)[N+](=O)[O-]","ZTZVCEXSDXCNBU-UHFFFAOYSA-N",367822,NA,"PDBC23233","637897","Present",NA,NA
+"23234","4-(Dichloromethylene)-3,5-dimethyl-1-phenyl-1$l^{5}-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dichloromethylidene)-3,5-dimethyl-1-phenyl-1,4-dihydrophosphinine 1-oxide",NA,"CC1=CP(=O)(C=C(C1=C(Cl)Cl)C)C2=CC=CC=C2","MMAPZERYAGALJF-UHFFFAOYSA-N",361316,NA,"PDBC23234","624332","Present",NA,NA
+"23235","4-(Dichloromethylidene)-1-ethoxy-3,5-dimethyl-1lambda5-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dichloromethylidene)-1-ethoxy-3,5-dimethyl-1,4-dihydrophosphinine 1-oxide",NA,"CCOP1(=O)C=C(C(=C(Cl)Cl)C(=C1)C)C","TWYXOGWUTKPECJ-UHFFFAOYSA-N",370739,NA,"PDBC23235","644259","Present",NA,NA
+"23236","4-(Dichloromethylidene)-3,5-dimethyl-1-propan-2-yloxy-1lambda5-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dichloromethylidene)-3,5-dimethyl-1-(propan-2-yloxy)-1,4-dihydrophosphinine 1-oxide",NA,"CC1=CP(=O)(C=C(C1=C(Cl)Cl)C)OC(C)C","QKVYUTXWNAUOFB-UHFFFAOYSA-N",372645,NA,"PDBC23236","648099","Present",NA,NA
+"23237","4-(Diethylamino)-1,1-diethyl-5-oxo-1,2,4-triazol-1-ium-3-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Diethylamino)-1,1-diethyl-5-oxo-1,2,4-triazol-1-ium-3-olate",NA,"CCN(CC)N1C(=N[N+](C1=O)(CC)CC)[O-]","JNJQEYLIRKTISR-UHFFFAOYSA-N",6711185,NA,"PDBC23237","160268","Present",NA,NA
+"23238","4-(Diethylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Diethylamino)-6,7,8,9-tetrahydrobenzo[7]annulen-5-one oxime",NA,"CCN(CC)C1=CC=CC2=C1C(=NO)CCCC2","XWNMJJVSBZRJHZ-DTQAZKPQSA-N",9555916,NA,"PDBC23238","655290","Present",NA,NA
+"23239","4-(Diethylaminodiazenyl)-5-methyl-1H-pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Diethylaminodiazenyl)-5-methyl-1H-pyrazole-3-carboxamide",NA,"CCN(CC)N=NC1=C(NN=C1C(=O)N)C","IQIPLPPRGBWFQI-UHFFFAOYSA-N",282820,NA,"PDBC23239","136880","Present",NA,NA
+"23240","4-(Dihexylamino)naphthalene-1,2-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dihexylamino)naphthalene-1,2-dione;hydrochloride",NA,"CCCCCCN(CCCCCC)C1=CC(=O)C(=O)C2=CC=CC=C21.Cl","HDNOOBOCZGNHBD-UHFFFAOYSA-N",369227,NA,"PDBC23240","640956","Present",NA,NA
+"23241","4-(Dimethoxymethyl)-7a-hydroxy-7,7a,11b,12-tetrahydrobenzo[a]benzo[3,4]cyclobuta[1,2-d]cycloocten-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Dimethoxymethyl)-12-hydroxytetracyclo[10.6.0.03,8.013,18]octadeca-3(8),4,6,13,15,17-hexaen-9-one",NA,"COC(C1=CC=CC2=C1C(=O)CCC3(C(C2)C4=CC=CC=C43)O)OC","KHRAFMZOCYHABN-UHFFFAOYSA-N",375541,NA,"PDBC23241","655320","Present",NA,NA
+"23242","4-(Dimethylamino)-1,3-diphenylbutan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylamino)-1,3-diphenylbutan-2-one",NA,"CN(C)CC(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2","NIISBOCIVFUFDB-UHFFFAOYSA-N",236584,NA,"PDBC23242","39199","Present",NA,NA
+"23243","4-(Dimethylamino)-11-methyl-5,11-dihydro-10H-pyrimido(4,5-c)(2)benzazepin-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Primido[4,5-c][2]benzazepin-10(11H)-one, 11-methyl- 4...",NA,"CN1C2=C(CC3=CC=CC=C3C1=O)C(=NC=N2)N(C)C","SLVGJWQWWNVJGM-UHFFFAOYSA-N",325817,NA,"PDBC23243","295302","Present",NA,NA
+"23244","4-(Dimethylamino)-2-(1H-indol-3-yl)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylamino)-2-(1H-indol-3-yl)-4-oxobutanoic acid",NA,"CN(C)C(=O)CC(C1=CNC2=CC=CC=C21)C(=O)O","GZCIQJUCDZFTOT-UHFFFAOYSA-N",372083,NA,"PDBC23244","646962","Present",NA,NA
+"23245","4-(Dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydro-2-naphthacenecarboxamide methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylamino)-1,6,10,11,12a-pentahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide;methanesulfonic acid",NA,"CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.CS(=O)(=O)O","MIBRDPLTDIJTJZ-UHFFFAOYSA-N",54685733,NA,"PDBC23245","69343","Present",NA,NA
+"23246","4-(Dimethylamino)-3-methyl-2,2-diphenylbutanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isodidiavalo",NA,"CC(CN(C)C)C(C#N)(C1=CC=CC=C1)C2=CC=CC=C2","WDEAKMXEZRUYOK-UHFFFAOYSA-N",44861,NA,"PDBC23246","9993","Present",NA,NA
+"23247","4-(Dimethylamino)-7-methyl-1,3-dihydro-1,4-benzodiazepine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,4-Benzodiazepine-2,5-dione, 2,3,4,5-tetrahydro- 4-(...",NA,"CC1=CC2=C(C=C1)NC(=O)CN(C2=O)N(C)C","GFHXEWXBDZZGAU-UHFFFAOYSA-N",363433,NA,"PDBC23247","628344","Present",NA,NA
+"23248","4-(Dimethylamino)-N-phenylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylamino)-N-phenylbenzenesulfinamide",NA,"CN(C)C1=CC=C(C=C1)S(=O)NC2=CC=CC=C2","VHPMMNVYEYRLAG-UHFFFAOYSA-N",385390,NA,"PDBC23248","676564","Present",NA,NA
+"23249","4-(Dimethylamino)-alpha-(nonafluorobutylsulfonyl)-cis-cinnamic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylamino)-alpha-(nonafluorobutylsulfonyl)-cis-cinnamic acid ethyl ester",NA,"CCOC(=O)C(=CC1=CC=C(C=C1)N(C)C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","YJYBQFZUOVGCIU-FMIVXFBMSA-N",5468675,NA,"PDBC23249","674123","Present",NA,NA
+"23250","4-(Dimethylamino)benzaldehyde (4-(2-furylmethylene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylamino)benzaldehyde (4-(2-furylmethylene)-5-oxo-4,5-dihydro-1H-imidazol-2-yl)hydrazone",NA,"CN(C)C1=CC=C(C=C1)C=NNC2=NC(=CC3=CC=CO3)C(=O)N2","WTVIUSGONOKESV-ODXRKRKHSA-N",135494020,NA,"PDBC23250","691988","Present",NA,NA
+"23251","4-(Dimethylamino)benzaldehyde (7-chloro-3-methyl-5-phenyl-3H-1,3,4-benzotriazepin-2-yl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylamino)benzaldehyde (7-chloro-3-methyl-5-phenyl-3H-1,3,4-benzotriazepin-2-yl)hydrazone",NA,"CN1C(=NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)NN=CC4=CC=C(C=C4)N(C)C","KNGNRWVXLRCHPV-WGOQTCKBSA-N",9555946,NA,"PDBC23251","660688","Present",NA,NA
+"23252","4-(Dimethylamino)benzaldehyde N-phenylthiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK730505",NA,"CN(C)C1=CC=C(C=C1)C=NNC(=S)NC2=CC=CC=C2","HBLLYJOWYYMLSE-SFQUDFHCSA-N",6862754,NA,"PDBC23252","213888","Present",NA,NA
+"23253","4-(Dimethylamino)benzaldehyde[4-(1,3-benzimidazol-2-yl)pheny l]hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylamino)benzaldehyde[4-(1,3-benzimidazol-2-yl)p...",NA,"CN(C)C1=CC=C(C=C1)C=NNC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","YKPKFFYRXFABPY-HZHRSRAPSA-N",24204003,NA,"PDBC23253","730323","Present",NA,NA
+"23254","4-(Dimethylamino)methylene-2,1,3-benzothiadiazole and methyl iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69548",NA,"CN(C)C=NC1=CC=CC2=NSN=C21.CI","KTBPRCFPZXZROS-UHFFFAOYSA-N",58267,NA,"PDBC23254","665674","Present",NA,NA
+"23255","4-(Dimethylamino)phenolate;2,2,6,6-tetramethylheptane-3,5-dione;titanium(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2,2,6,6-tetramethylheptane-3,5-dionato)bis(N,N-dimet...",NA,"CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CC(C)(C)C(=O)[CH-]C(=O)C(C)(C)C.CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].[Ti+4]","UHDZJBHZSRWNAG-UHFFFAOYSA-L",368280,NA,"PDBC23255","638749","Present",NA,NA
+"23256","4-(Dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylaminodiazenyl)-5-ethyl-1H-pyrazole-3-carboxamide",NA,"CCC1=C(C(=NN1)C(=O)N)N=NN(C)C","ITDFAZXRTGZMBY-UHFFFAOYSA-N",279949,NA,"PDBC23256","131263","Present",NA,NA
+"23257","4-(Dimethylaminodiazenyl)-5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylaminodiazenyl)-5-methyl-N-[(E)-thiophen-2-ylmethylideneamino]-1H-pyrazole-3-carboxamide",NA,"CC1=C(C(=NN1)C(=O)NN=CC2=CC=CS2)N=NN(C)C","CAFKHSJTNLEMNV-IPATYEEQSA-N",135545660,NA,"PDBC23257","131258","Present",NA,NA
+"23258","4-(Dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylaminodiazenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide",NA,"CC(C)C1=C(C(=NN1)C(=O)N)N=NN(C)C","CZBJUVCJXXZKSJ-UHFFFAOYSA-N",279947,NA,"PDBC23258","131261","Present",NA,NA
+"23259","4-(Dimethylaminodiazenyl)-5-propyl-1H-pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dimethylaminodiazenyl)-5-propyl-1H-pyrazole-3-carboxamide",NA,"CCCC1=C(C(=NN1)C(=O)N)N=NN(C)C","IIZWDQFXSNNCGH-UHFFFAOYSA-N",279948,NA,"PDBC23259","131262","Present",NA,NA
+"23260","4-(Diphenylhydroxymethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C20H16O3",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C(=O)O)O","CPZWBWPALJLUBJ-UHFFFAOYSA-N",348961,NA,"PDBC23260","408493","Present",NA,NA
+"23261","4-(Diphenylmethyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Diphenylmethyl)pyridine",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=NC=C3","ZWLWOTHDIGRTNE-UHFFFAOYSA-N",77252,NA,"PDBC23261","60655","Present",NA,NA
+"23262","4-(Diphenylphosphorothioyl)-1,3-dimethyl-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,3-Dimethylpyrazol-4-yl)-diphenyl-thioxo-$l^{5}-phosphane",NA,"CC1=NN(C=C1P(=S)(C2=CC=CC=C2)C3=CC=CC=C3)C","XJAXPCJDSGURHX-UHFFFAOYSA-N",365105,NA,"PDBC23262","632132","Present",NA,NA
+"23263","4-(Diphenylphosphoryl)-2-methoxy-1,2-diphenylbutan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyrophenone,4-(diphenylphosphinyl)-2-methoxy-2-phenyl- (8CI)",NA,"COC(CCP(=O)(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)C4=CC=CC=C4","OIVDQKVHFRFEEQ-UHFFFAOYSA-N",282323,NA,"PDBC23263","135734","Present",NA,NA
+"23264","4-(Diphenylphosphoryl)-N-methyl-3-oxo-N-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Diphenylphosphoryl)-N-methyl-3-oxo-N-phenylbutanamide",NA,"CN(C1=CC=CC=C1)C(=O)CC(=O)CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","GVJBFWGAUYIVNY-UHFFFAOYSA-N",378388,NA,"PDBC23264","660687","Present",NA,NA
+"23265","4-(Diphenylphosphorylmethyl)morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Morpholinomethyldiphenylphosphine oxide",NA,"C1COCCN1CP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","ZDEKTDYYYBITIR-UHFFFAOYSA-N",359291,NA,"PDBC23265","620035","Present",NA,NA
+"23266","4-(Dipropylamino)-2-methoxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757909",NA,"CCCN(CCC)C1=CC(=C(C=C1)C=O)OC","ITQDSDLDRSCAHZ-UHFFFAOYSA-N",14848760,NA,"PDBC23266","757909","Present",NA,NA
+"23267","4-(Dipropylamino)-2-methylbenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757908",NA,"CCCN(CCC)C1=CC(=C(C=C1)C=O)C","YOPYGFRWKDWUMI-UHFFFAOYSA-N",14848763,NA,"PDBC23267","757908","Present",NA,NA
+"23268","4-(Dipropylamino)-3,5-dinitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dipropylamino)-3,5-dinitrobenzamide",NA,"CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N)[N+](=O)[O-]","XFDXNBOTTKUHKE-UHFFFAOYSA-N",300481,NA,"PDBC23268","175074","Present",NA,NA
+"23269","4-(Dipropylamino)-N,N-bis(2-hydroxyethyl)-3,5-dinitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dipropylamino)-N,N-bis(2-hydroxyethyl)-3,5-dinitrobenzamide",NA,"CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N(CCO)CCO)[N+](=O)[O-]","ZECYMEXHHZVGMJ-UHFFFAOYSA-N",375968,NA,"PDBC23269","656325","Present",NA,NA
+"23270","4-(Dipropylamino)-N,N-diethyl-3,5-dinitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dipropylamino)-N,N-diethyl-3,5-dinitrobenzamide",NA,"CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N(CC)CC)[N+](=O)[O-]","FKPLXECOYMPKKJ-UHFFFAOYSA-N",375160,NA,"PDBC23270","654295","Present",NA,NA
+"23271","4-(Dipropylamino)-N,N-dimethyl-3,5-dinitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dipropylamino)-N,N-dimethyl-3,5-dinitrobenzamide",NA,"CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])C(=O)N(C)C)[N+](=O)[O-]","ZCCOQPMTSNHWQW-UHFFFAOYSA-N",375967,NA,"PDBC23271","656324","Present",NA,NA
+"23272","4-(Fluoromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Fluoromethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CF","ZZOXOFGFTBZRLN-UHFFFAOYSA-N",393945,NA,"PDBC23272","696917","Present",NA,NA
+"23273","4-(Furan-2-yl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Furan-2-yl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine",NA,"CC1=CC=C(O1)C2=NC(=NC(=C2)C3=CC=CO3)N","LIARQZAKYQMYJV-UHFFFAOYSA-N",376141,NA,"PDBC23273","656634","Present",NA,NA
+"23274","4-(Furo[3,2-c]quinolin-4-ylamino)-N-(2-piperazin-1-ylethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Furo[3,2-c]quinolin-4-ylamino)-N-(2-piperazin-1-ylethyl)benzamide",NA,"C1CN(CCN1)CCNC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C5=C3C=CO5","ZDTDUATXVXDAAE-UHFFFAOYSA-N",24204688,NA,"PDBC23274","732492","Present",NA,NA
+"23275","4-(Furo[3,2-c]quinolin-4-ylamino)-N-[(2R)-octan-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Furo[3,2-c]quinolin-4-ylamino)-N-[(2R)-octan-2-yl]benzamide",NA,"CCCCCCC(C)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","QXFQLSQLKJRLMT-GOSISDBHSA-N",24204690,NA,"PDBC23275","732494","Present",NA,NA
+"23276","4-(Furo[3,2-c]quinolin-4-ylamino)-N-[(2S)-octan-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Furo[3,2-c]quinolin-4-ylamino)-N-[(2S)-octan-2-yl]benzamide",NA,"CCCCCCC(C)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","QXFQLSQLKJRLMT-SFHVURJKSA-N",24204689,NA,"PDBC23276","732493","Present",NA,NA
+"23277","4-(Furo[3,2-c]quinolin-4-ylamino)-N-[2-(2-hydroxyethylamino)ethyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Furo[3,2-c]quinolin-4-ylamino)-N-[2-(2-hydroxyethylamino)ethyl]benzamide",NA,"C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)C(=O)NCCNCCO","OGYQXUQGTBEJTK-UHFFFAOYSA-N",24204687,NA,"PDBC23277","732491","Present",NA,NA
+"23278","4-(Furo[3,2-c]quinolin-4-ylamino)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Furo[3,2-c]quinolin-4-ylamino)phenol",NA,"C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)O","DSCCYNXDIPOVSJ-UHFFFAOYSA-N",24203916,NA,"PDBC23278","730146","Present",NA,NA
+"23279","4-(Hexadecylamino)-1-[4-hydroxy-5-[[(4-methoxyphenyl)-diphenyl-methoxy]methyl]tetrahydrofuran-2-yl]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Hexadecylamino)-1-[4-hydroxy-5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]oxolan-2-yl]pyrimidin-2-one",NA,"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=C(C=C5)OC)O","BZTJHVJBIGIAIC-UHFFFAOYSA-N",385572,NA,"PDBC23279","676862","Present",NA,NA
+"23280","4-(Hexanoylamino)-1H-1,2,3-triazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Hexanoylamino)-1H-1,2,3-triazole-5-carboxamide",NA,"CCCCCC(=O)NC1=NNN=C1C(=O)N","SLQCBDHMHFUPBP-UHFFFAOYSA-N",385089,NA,"PDBC23280","676016","Present",NA,NA
+"23281","4-(Hexanoylamino)-1H-imidazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Hexanoylamino)-1H-imidazole-5-carboxamide",NA,"CCCCCC(=O)NC1=C(NC=N1)C(=O)N","KLMGEAKXVLBKAY-UHFFFAOYSA-N",385088,NA,"PDBC23281","676015","Present",NA,NA
+"23282","4-(Hexyloxy)-N-hydroxy-N-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Hexyloxy)-N-hydroxy-N-methylbenzamide",NA,"CCCCCCOC1=CC=C(C=C1)C(=O)N(C)O","YZLFSTNYDDARRX-UHFFFAOYSA-N",392394,NA,"PDBC23282","692758","Present",NA,NA
+"23283","4-(Hexyloxy)-N-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hexoxybenzenecarbohydroxamic acid",NA,"CCCCCCOC1=CC=C(C=C1)C(=O)NO","JECHWTQWVCPLAW-UHFFFAOYSA-N",392390,NA,"PDBC23283","692754","Present",NA,NA
+"23284","4-(Hydroxy(oxido)amino)-1-((3-((3-((9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino)propyl)(methyl)amino)propyl)amino)-9(10H)-acridinone methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridinone, 1-[[[[(9-methoxy-5,11-dimethyl- 6H-pyrido[...",NA,"CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C(=C(C=C5)[N+](=O)[O-])NC7=CC=CC=C7C6=O.CS(=O)(=O)O","BXYVAHSOEYQNDI-UHFFFAOYSA-N",438994,NA,"PDBC23284","695937","Present",NA,NA
+"23285","4-(Hydroxy(oxido)amino)-2-(((octahydro-2H-quinolizin-1-ylmethyl)imino)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1E)-3-(6-azabicyclo[4.4.0]dec-2-yl)-2-azaprop-1-enyl]-4-nitrophenol",NA,"C1CCN2CCCC(C2C1)CN=CC3=C(C=CC(=C3)[N+](=O)[O-])O","LEVXMDULTLHBDO-UHFFFAOYSA-N",394204,NA,"PDBC23285","697486","Present",NA,NA
+"23286","4-(Hydroxy(oxido)amino)-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-2-(1H-1,2,4-triazol-5-yl)-1H-isoindole-1,3(2H)-dione",NA,"C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)C3=NC=NN3","BHQONEZYXUINHI-UHFFFAOYSA-N",266770,NA,"PDBC23286","105550","Present",NA,NA
+"23287","4-(Hydroxy(oxido)amino)-3-phosphonobenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-3-phosphonobenzoic acid",NA,"C1=CC(=C(C=C1C(=O)O)P(=O)(O)O)[N+](=O)[O-]","PWPIHQZKGQOGKL-UHFFFAOYSA-N",279183,NA,"PDBC23287","129478","Present",NA,NA
+"23288","4-(Hydroxy(oxido)amino)-N-(4-methyl-9H-xanthen-9-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Hydroxy(oxido)amino)-N-(4-methyl-9H-xanthen-9-yl)benzamide",NA,"CC1=C2C(=CC=C1)C(C3=CC=CC=C3O2)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","OXBFBNIBDQNWOK-UHFFFAOYSA-N",233015,NA,"PDBC23288","31076","Present",NA,NA
+"23289","4-(Hydroxy(oxido)amino)benzylarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-9040",NA,"C1=CC(=CC=C1C[As](=O)(O)O)[N+](=O)[O-]","SPVFQMYEUKTCJQ-UHFFFAOYSA-N",222574,NA,"PDBC23289","9040","Present",NA,NA
+"23290","4-(Hydroxy(oxido)amino)phenyl 2-(((((heptadecanoylamino)acetyl)amino)acetyl)amino)-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Nitrophenyl) 2-[[2-[[2-(heptadecanoylamino)acetyl]amino]acetyl]amino]-3-phenyl-propanoate",NA,"CCCCCCCCCCCCCCCCC(=O)NCC(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]","CMUFLNAPVHQCIY-UHFFFAOYSA-N",387368,NA,"PDBC23290","681120","Present",NA,NA
+"23291","4-(Hydroxyamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Hydroxyamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,"C1C2C(=NC3=CC=CC=C3C(=S)N2CS1)NO","OSHJAKMQOHLUMD-UHFFFAOYSA-N",3005211,NA,"PDBC23291","683486","Present",NA,NA
+"23292","4-(Hydroxyamino)-5-nitro-2-phenyl-pyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Hydroxyamino)-5-nitro-2-phenyl-pyridazin-3-one",NA,"C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)[N+](=O)[O-])NO","IJAOQXZBRMUTBZ-UHFFFAOYSA-N",3699706,NA,"PDBC23292","641822","Present",NA,NA
+"23293","4-(Hydroxymethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Hydroxymethyl)-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC23293","658199","Present",NA,NA
+"23294","4-(Hydroxymethyl)-2-phenyl-4H-pyrazolo[1,5-a]indol-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Hydroxymethyl)-2-phenyl-4H-pyrazolo[1,5-a]indol-3-ol",NA,"C1=CC=C(C=C1)C2=NN3C4=CC=CC=C4C(C3=C2O)CO","PFYARDXHCNTGGK-UHFFFAOYSA-N",385317,NA,"PDBC23294","676434","Present",NA,NA
+"23295","4-(Hydroxymethyl)-N,N-dimethylimidazole-1-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2147-8435",NA,"CN(C)S(=O)(=O)N1C=C(N=C1)CO","XEMCPJAIPJBKJL-UHFFFAOYSA-N",395750,NA,"PDBC23295","700550","Present",NA,NA
+"23296","4-(Iodomethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid,  4-iodomethyl-",NA,"C1=CC(=CC=C1CI)C(=O)O","CSGPUODXEMKHSY-UHFFFAOYSA-N",355504,NA,"PDBC23296","609248","Present",NA,NA
+"23297","4-(Isopropylthio)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655923///NSC655926",NA,"CC(C)SC1CC2C(C2(C)C)CC1(C)O","XSMMJHSZJXWLBE-UHFFFAOYSA-N",375773,NA,"PDBC23297","655923///655926","Present",NA,NA
+"23298","4-(Mercaptomethyl)-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Mercaptomethyl)-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)benzamide",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)CS","NNMNQKRWKRXNJE-UHFFFAOYSA-N",376425,NA,"PDBC23298","657339","Present",NA,NA
+"23299","4-(Methoxymethyl)-11a-phenyl-1,2,4,4a,11a,11b-hexahydro-1,4-methanoindolo[1,2-b][1,2]benzisoxazole-3,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-(Methoxymethyl)-3-phenyl-12-oxa-11-azapentacyclo[12.2.1.02,13.03,11.05,10]heptadeca-5,7,9-triene-4,15-dione",NA,"COCC12CC(CC1=O)C3C2ON4C3(C(=O)C5=CC=CC=C54)C6=CC=CC=C6","FLDNSLQVGNOXOV-UHFFFAOYSA-N",374523,NA,"PDBC23299","652274","Present",NA,NA
+"23300","4-(Methoxymethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Methoxymethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)COC","GECKYEFFMJHGDF-UHFFFAOYSA-N",389991,NA,"PDBC23300","686785","Present",NA,NA
+"23301","4-(Methylamino)-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Methylamino)-3-phenyl-1H-1,2,4-triazol-5-one",NA,"CNN1C(=NNC1=O)C2=CC=CC=C2","YEECBPAPRCZEOD-UHFFFAOYSA-N",384497,NA,"PDBC23301","674330","Present",NA,NA
+"23302","4-(Methylamino)-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Methylamino)-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,"CC1=CC=C(C=C1)C2=NNC(=O)N2NC","WQXDSEFMALQLHW-UHFFFAOYSA-N",387573,NA,"PDBC23302","681530","Present",NA,NA
+"23303","4-(Methylamino)-N-phenylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Methylamino)-N-phenylbenzenesulfinamide",NA,"CNC1=CC=C(C=C1)S(=O)NC2=CC=CC=C2","BXURZDSVRMWIKM-UHFFFAOYSA-N",385382,NA,"PDBC23303","676556","Present",NA,NA
+"23304","4-(Methylsulfonyl)-N-(3-((4-(methylsulfonyl)phenyl)imino)-1-propenyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Methylsulfonyl)-N-(3-((4-(methylsulfonyl)phenyl)imino)-1-propenyl)aniline",NA,"CS(=O)(=O)C1=CC=C(C=C1)NC=CC=NC2=CC=C(C=C2)S(=O)(=O)C","TUAXLDYICBQGIB-OCYUQXDLSA-N",5917468,NA,"PDBC23304","676472","Present",NA,NA
+"23305","4-(Methylsulfonylmethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Methylsulfonylmethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CS(=O)(=O)C","PCJNEEVUSUDFRF-UHFFFAOYSA-N",393947,NA,"PDBC23305","696919","Present",NA,NA
+"23306","4-(Methylthio)-N-picrylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Methylthio)-N-picrylaniline",NA,"CSC1=CC=C(C=C1)NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","MYKVWKVGMUFQHI-UHFFFAOYSA-N",291923,NA,"PDBC23306","157490","Present",NA,NA
+"23307","4-(Methylthio)canthin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"canthin-6-one,4-(methylthio)",NA,"CSC1=CC(=O)N2C3=CC=CC=C3C4=C2C1=NC=C4","HCKATCNEEDQXNJ-UHFFFAOYSA-N",259217,NA,"PDBC23307","88928","Present",NA,NA
+"23308","4-(Morpholin-4-ylmethyl)-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Morpholinomethyl)-6-(3,5,5-trimethyl-4h-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CN3CCOCC3","GORYADOMYHZDOF-UHFFFAOYSA-N",389994,NA,"PDBC23308","686788","Present",NA,NA
+"23309","4-(N'-Carbamimidoylcarbamimidamido)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(N'-Carbamimidoylcarbamimidamido)benzoic acid",NA,"C1=CC(=CC=C1C(=O)O)N=C(N)N=C(N)N","SQVQYPFROZNYOG-UHFFFAOYSA-N",52239,NA,"PDBC23309","125205","Present",NA,NA
+"23310","4-(N)-docosahexaenoyl gemcitabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(N)-docosahexaenoyl gemcitabine",NA,"CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)(F)F","BQVLSFZCPYXHQU-BVANHDROSA-N",155807142,NA,"PDBC23310","782349","Present",NA,NA
+"23311","4-(N-Ethylanilino)-1,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Pyrido[1,2-a]pyrimidin-2-one,  4-ethylphenylamino-1,6...",NA,"CCN(C1=CC=CC=C1)C2=CC(=O)NC3N2CCCC3","IEDYWAKEALOHOO-UHFFFAOYSA-N",363961,NA,"PDBC23311","629498","Present",NA,NA
+"23312","4-(N-Methylanilino)-3-phenyl-furo[2,3-h]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Methyl(phenyl)amino]-3-phenyl-2H-furo[2,3-h]chromen-2-one",NA,"CN(C1=CC=CC=C1)C2=C(C(=O)OC3=C2C=CC4=C3C=CO4)C5=CC=CC=C5","LQLVTFUDSZJKLC-UHFFFAOYSA-N",362855,NA,"PDBC23312","627259","Present",NA,NA
+"23313","4-(N-Tert-butoxycarbonyl-7-bromoindol-3-yl)but-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(N-tert-butoxycarbonyl-7-bromoindol-3-yl)but-3-en-2-one",NA,"CC(=O)C=CC1=CN(C2=C1C=C(C=C2)Br)C(=O)OC(C)(C)C","OLUZANRCRCTYPZ-AATRIKPKSA-N",45027931,NA,"PDBC23313","740193","Present",NA,NA
+"23314","4-(N-[2-[[6-[Bis(4-sulfophenyl)sulfamoyl]-4-oxoquinazolin-3-yl]amino]-2-oxoethyl]-4-sulfoanilino)benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(N-[2-[[6-[Bis(4-sulfophenyl)sulfamoyl]-4-oxoquinazolin-3-yl]amino]-2-oxoethyl]-4-sulfoanilino)benzenesulfonic acid",NA,"C1=CC(=CC=C1N(CC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)N(C4=CC=C(C=C4)S(=O)(=O)O)C5=CC=C(C=C5)S(=O)(=O)O)C6=CC=C(C=C6)S(=O)(=O)O)S(=O)(=O)O","CIGMZCBYUAZSDM-UHFFFAOYSA-N",390417,NA,"PDBC23314","687771","Present",NA,NA
+"23315","4-(Oxiran-2-yl)-2-phenylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Oxiran-2-yl)-2-phenylquinoline",NA,"C1C(O1)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4","QYPDECDZRHCTEF-UHFFFAOYSA-N",344157,NA,"PDBC23315","400905","Present",NA,NA
+"23316","4-(Phenethylamino)naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene-1,2-dione, 1,2-dihydro- 4-[(2-phenylethyl)am...",NA,"C1=CC=C(C=C1)CCNC2=CC(=O)C(=O)C3=CC=CC=C32","CWFAFDYCTDBGBE-UHFFFAOYSA-N",367789,NA,"PDBC23316","637731","Present",NA,NA
+"23317","4-(Phenoxy(phenyl)methoxy)phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Phenoxy(phenyl)methoxy)phenyl acetate",NA,"CC(=O)OC1=CC=C(C=C1)OC(C2=CC=CC=C2)OC3=CC=CC=C3","SNWVDNBJEJIQCM-UHFFFAOYSA-N",384228,NA,"PDBC23317","673644","Present",NA,NA
+"23318","4-(Phenoxy(phenyl)methoxy)phenyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Phenoxy(phenyl)methoxy)phenyl benzoate",NA,"C1=CC=C(C=C1)C(OC2=CC=CC=C2)OC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4","KNEAIZASOQCLRZ-UHFFFAOYSA-N",384227,NA,"PDBC23318","673643","Present",NA,NA
+"23319","4-(Phenoxy)-2,2-dimethyl-1,2-dihydropyrazolo[1,5-a]-1,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dimethyl-4-phenoxy-1H-pyrazolo[1,5-a][1,3,5]triazine",NA,"CC1(NC2=CC=NN2C(=N1)OC3=CC=CC=C3)C","IEFVMCJOPDNOHG-UHFFFAOYSA-N",373381,NA,"PDBC23319","649608","Present",NA,NA
+"23320","4-(Phenylmethoxycarbonylamino)butyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Phenylmethoxycarbonylamino)butyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate",NA,"CCCCCCCCCC1CC2CCC3N2C(=N1)NC(=C3C(=O)OCCCCNC(=O)OCC4=CC=CC=C4)C","AVJZKLZPTTVVON-ANUFDVCNSA-N",401695,NA,"PDBC23320","715425","Present",NA,NA
+"23321","4-(Phenylsulfanyl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XQ70H061FX",NA,"C1=CC=C(C=C1)SCCCC(=O)O","HHZVQLOVHIDMBD-UHFFFAOYSA-N",97324,NA,"PDBC23321","115787","Present",NA,NA
+"23322","4-(Phenylthio)phthalonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK388749",NA,"C1=CC=C(C=C1)SC2=CC(=C(C=C2)C#N)C#N","DONGQQAAIOHUPL-UHFFFAOYSA-N",371801,NA,"PDBC23322","646246","Present",NA,NA
+"23323","4-(Piperidin-1-yl)butanoic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC15135",NA,"C1CCN(CC1)CCCC(=O)O.Cl","IZVIJYFRXDQEOR-UHFFFAOYSA-N",13172081,NA,"PDBC23323","15135","Present",NA,NA
+"23324","4-(Pyridin-3-ylamino)naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene-1,2-dione, 1,2-dihydro-4-[(3-pyridinyl)amino]-",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CN=CC=C3","HZFXWCMVFFTFJE-UHFFFAOYSA-N",367787,NA,"PDBC23324","637729","Present",NA,NA
+"23325","4-(Quinoline-8-sulfonamido)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[(8-quinolinyl-sulfonyl)amino]-",NA,"C1=CC2=C(C(=C1)S(=O)(=O)NC3=CC=C(C=C3)C(=O)O)N=CC=C2","NBQVTLMGAPBCJA-UHFFFAOYSA-N",776645,NA,"PDBC23325","773175","Present",NA,NA
+"23326","4-(Quinoxalin-2-ylmethylamino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Quinoxalin-2-ylmethylamino)benzenesulfonamide",NA,"C1=CC=C2C(=C1)N=CC(=N2)CNC3=CC=C(C=C3)S(=O)(=O)N","ZBXQQAIQGLIMCK-UHFFFAOYSA-N",326873,NA,"PDBC23326","299210","Present",NA,NA
+"23327","4-(Quinoxalin-2-yloxy)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Quinoxalin-2-yloxy)phenol",NA,"C1=CC=C2C(=C1)N=CC(=N2)OC3=CC=C(C=C3)O","XFFJRQBCOOVRTD-UHFFFAOYSA-N",13328499,NA,"PDBC23327","752575","Present",NA,NA
+"23328","4-(Tetraphen-7-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A15655",NA,"C1=CC=C2C(=C1)C=CC3=C(C4=CC=CC=C4C=C32)C5=CC=C(C=C5)C(=O)N","QNFVYQOCJNWWKQ-UHFFFAOYSA-N",262000,NA,"PDBC23328","95170","Present",NA,NA
+"23329","4-(Thiophen-2-yl)thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000023",NA,"C1=CSC(=C1)C2=CSC(=N2)N","XRNPDKQNHIKARG-UHFFFAOYSA-N",243973,NA,"PDBC23329","54297","Present",NA,NA
+"23330","4-(Toluene-4-sulfonyl)-[1,4]thiazepane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Toluene-4-sulfonyl)-[1,4]thiazepane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCC2","PWVIQDRLXPSKSD-UHFFFAOYSA-N",373719,NA,"PDBC23330","650620","Present",NA,NA
+"23331","4-(Tricyclo[3.3.1.13,7]dec-1-ylsulfanyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Tricyclo[3.3.1.13,7]dec-1-ylsulfanyl)aniline",NA,"C1C2CC3CC1CC(C2)(C3)SC4=CC=C(C=C4)N","HPAYYLFYRXTNJK-UHFFFAOYSA-N",269934,NA,"PDBC23331","111654","Present",NA,NA
+"23332","4-(alpha-Chloroacetyl)antipyrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(alpha-Chloroacetyl)antipyrine",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CCl","QGWUTAPXLRKROO-UHFFFAOYSA-N",246657,NA,"PDBC23332","59994","Present",NA,NA
+"23333","4-(p-(Dimethylamino)styryl)-6-methoxyquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/VB7295000",NA,"CN(C)C1=CC=C(C=C1)C=CC2=C3C=C(C=CC3=NC=C2)OC","RXSOBQRGVGGANL-QPJJXVBHSA-N",5936212,NA,"PDBC23333","96379","Present",NA,NA
+"23334","4-(p-Chlorophenylazo)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AI3-09037",NA,"C1=CC(=CC=C1N=NC2=CC=C(C=C2)Cl)O","MNNLUFVMZSSCJT-UHFFFAOYSA-N",101244,NA,"PDBC23334","402592","Present",NA,NA
+"23335","4-(p-Fluorobenzylideneamino)-3-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(4-Fluorophenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC=C(C=C2)F","SIPJVMGKWHDRAJ-WUXMJOGZSA-N",9556362,NA,"PDBC23335","698072","Present",NA,NA
+"23336","4-(p-Methoxyphenyl)methylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(p-methoxyphenyl)methylidenehydrazino-6-thioxopyrazolo...",NA,"COC1=CC=C(C=C1)C=NNC2=C3C=NNC3=NC(=S)N2","NLYLVALOXALOIP-MKMNVTDBSA-N",135436418,NA,"PDBC23336","723125","Present",NA,NA
+"23337","4-(p-Methylphenyl)aminopyrazolo[3,4-d]pyrimidin-6-thion",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(p-methylphenyl)aminopyrazolo[3,4-d]pyrimidin-6-thion",NA,"CC1=CC=C(C=C1)NC2=NC(=S)NC3=C2C=NN3","FAVKEMCYNMBODG-UHFFFAOYSA-N",135436400,NA,"PDBC23337","722957","Present",NA,NA
+"23338","4-(p-Tolylcarbamoyl)phenyl hydrogen p-tolylphosphoramidate, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(p-tolylcarbamoyl)phenyl hydrogen p-tolylphosphoramida...",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OP(=O)(NC3=CC=C(C=C3)C)O.[Na+]","DEYXPJUKGAHTFB-UHFFFAOYSA-N",54608555,NA,"PDBC23338","669805","Present",NA,NA
+"23339","4-(t-Butyl)imidazolium-trans-tetrahlorobis-4-(t-butyl)- ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(t-Butyl)imidazolium-trans-tetrahlorobis-4-(t-butyl)- ...",NA,NA,NA,NA,NA,"PDBC23339","630114","Present",NA,NA
+"23340","4-(t-Butyl)pyrimidinium-trans-tetrachlorobis-4-(t-butyl)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(t-Butyl)pyrimidinium-trans-tetrachlorobis-4-(t-butyl)...",NA,NA,NA,NA,NA,"PDBC23340","630133","Present",NA,NA
+"23341","4-(trifluoromethyl)benzylazanediyl)bis(methylene)diquino...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(trifluoromethyl)benzylazanediyl)bis(methylene)diquino...",NA,"C1=CC2=C(C=CC(=C2N=C1)O)CN(CC3=CC=C(C=C3)C(F)(F)F)CC4=C5C=CC=NC5=C(C=C4)O","JZARXLRJMQKPON-UHFFFAOYSA-N",25268906,NA,"PDBC23341","755642","Present",NA,NA
+"23342","4-({6-[(1E)-2-(2-Hydroxynaphthyl)vinyl]-4-amino-5-oxo-1,2,4-triazin-3-yl}amino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-({6-[(1E)-2-(2-Hydroxynaphthyl)vinyl]-4-amino-5-oxo-1,2,4-triazin-3-yl}amino)benzenesulfonamide",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC3=NN=C(N(C3=O)N)NC4=CC=C(C=C4)S(=O)(=O)N)O","HMRWKTJAGOOTJI-ZHACJKMWSA-N",135436151,NA,"PDBC23342","710575","Present",NA,NA
+"23343","4-({[5-(2-Hydroxyphenyl)-2-thioxo-2,3,4-oxadiazo l-3-yl]methyl}amino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-({[5-(2-hydroxyphenyl)-2-thioxo-2,3-dihydro-1,3,4-oxad...",NA,"C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=C(C=C3)C(=O)O)O","XIJMQFXOAUBRFS-UHFFFAOYSA-N",135585520,NA,"PDBC23343","731992","Present",NA,NA
+"23344","4-({[5-(4-Chlorophenyl)-2-furyl]methylene}amino)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-({[5-(4-Chlorophenyl)-2-furyl]methylene}amino)-5-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione",NA,"CC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)Cl","SLIQGZWRLVASRX-LZYBPNLTSA-N",9558615,NA,"PDBC23344","712909","Present",NA,NA
+"23345","4-1-[4-(5,6,7-Trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1H-5-imidazolylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-1-[4-(5,6,7-trimethoxy-1,3-benzothiazol-2-yl)phenyl]-1...",NA,"COC1=C(C(=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N4C=NC=C4C5=CC=C(C=C5)N)OC)OC","MDQBTTILNGSXEF-UHFFFAOYSA-N",60147789,NA,"PDBC23345","752432","Present",NA,NA
+"23346","4-Acenaphthyleno[2,1-b]thiophen-8-ylbutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acenaphtho[1,2-b]thien-8-ylbutanoic acid",NA,"C1=CC2=C3C(=C1)C4=C(C3=CC=C2)SC(=C4)CCCC(=O)O","HEOZHPHHDIDGAJ-UHFFFAOYSA-N",367945,NA,"PDBC23346","638149","Present",NA,NA
+"23347","4-Acetamido-2-ethoxy-N-(2-oxo-3-phenoxy-4-phenylazetidin-1-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-2-ethoxy-N-(2-oxo-3-phenoxy-4-phenylazetidin-1-yl)benzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)OC3=CC=CC=C3)C4=CC=CC=C4","FKCLBTSAUSGPMX-UHFFFAOYSA-N",402308,NA,"PDBC23347","716199","Present",NA,NA
+"23348","4-Acetamido-2-ethoxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-2-ethoxy-N-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)benzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(SCC2=O)C3=CC=CC=C3","JZLZRMODUWYVSC-UHFFFAOYSA-N",402315,NA,"PDBC23348","716206","Present",NA,NA
+"23349","4-Acetamido-2-ethoxy-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-2-ethoxy-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]benzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(=NC(=CC3=CC=CO3)C2=O)C4=CC=CC=C4","QBZGMWBJMARQDE-QNGOZBTKSA-N",5472080,NA,"PDBC23349","716187","Present",NA,NA
+"23350","4-Acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-2-ethoxy-N-[(4Z)-5-oxo-2-phenyl-4-[(3,4,5-trimethoxyphenyl)methylidene]imidazol-1-yl]benzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(=NC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","XTIRDAYORCDVIK-UCQKPKSFSA-N",5472082,NA,"PDBC23350","716189","Present",NA,NA
+"23351","4-Acetamido-2-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-2-ethoxy-N-[(E)-furan-2-ylmethylideneamino]benzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN=CC2=CC=CO2","PHJHDIIHHLEKIE-LICLKQGHSA-N",9559219,NA,"PDBC23351","716197","Present",NA,NA
+"23352","4-Acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]benzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(SCC2=O)C3=CC(=C(C=C3)O)OC","KXOLTSWJLMEOTO-UHFFFAOYSA-N",402316,NA,"PDBC23352","716207","Present",NA,NA
+"23353","4-Acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-phenoxyazetidin-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-2-ethoxy-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-phenoxyazetidin-1-yl]benzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)OC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC","FWCLBJMXRRMPGA-UHFFFAOYSA-N",402311,NA,"PDBC23353","716202","Present",NA,NA
+"23354","4-Acetamido-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-2-ethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-2-ethoxybenzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3","WSHRVPPXGNTILO-UHFFFAOYSA-N",402312,NA,"PDBC23354","716203","Present",NA,NA
+"23355","4-Acetamido-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-2-methoxybenzamide",NA,"CC(=O)NC1=CC(=C(C=C1)C(=O)NN2C(=NC(=CC3=CC=CO3)C2=O)C4=CC=CC=C4)OC","UAUWSKGNVAADIY-ZHZULCJRSA-N",5472048,NA,"PDBC23355","716150","Present",NA,NA
+"23356","4-Acetamido-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-ethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-2-ethoxybenzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(=NC(=CC3=CC=C(C=C3)Cl)C2=O)C4=CC=CC=C4","ZKBVOYHJKNCKRJ-HAHDFKILSA-N",5472079,NA,"PDBC23356","716186","Present",NA,NA
+"23357","4-Acetamido-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[(E)-(2,4-dichlorophenyl)methylideneamino]-2-methoxybenzamide",NA,"CC(=O)NC1=CC(=C(C=C1)C(=O)NN=CC2=C(C=C(C=C2)Cl)Cl)OC","WFHPCMCVSQHXJU-AWQFTUOYSA-N",9572428,NA,"PDBC23357","716142","Present",NA,NA
+"23358","4-Acetamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-methoxybenzamide",NA,"CC(=O)NC1=CC(=C(C=C1)C(=O)NN=CC2=CC(=C(C=C2)O)OC)OC","MFXAZGGRQDASOE-VXLYETTFSA-N",135436250,NA,"PDBC23358","716144","Present",NA,NA
+"23359","4-Acetamido-N-[(E)-furan-2-ylmethylideneamino]-2-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[(E)-furan-2-ylmethylideneamino]-2-methoxybenzamide",NA,"CC(=O)NC1=CC(=C(C=C1)C(=O)NN=CC2=CC=CO2)OC","IDFCQSUTDJUZDE-CXUHLZMHSA-N",9572429,NA,"PDBC23359","716143","Present",NA,NA
+"23360","4-Acetamido-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-methoxybenzamide",NA,"CC(=O)NC1=CC(=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC(=C(C=C3)O)OC)OC","XVIPIIATAHTROV-UHFFFAOYSA-N",402263,NA,"PDBC23360","716154","Present",NA,NA
+"23361","4-Acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)O)OC","XYVJSKRTUWFYFF-UHFFFAOYSA-N",402314,NA,"PDBC23361","716205","Present",NA,NA
+"23362","4-Acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-2-methoxybenzamide",NA,"CC(=O)NC1=CC(=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C=C3)O)OC)OC","RHQPBWBKLBNKDQ-UHFFFAOYSA-N",402256,NA,"PDBC23362","716147","Present",NA,NA
+"23363","4-Acetamido-N-[3-chloro-2-(furan-2-yl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[3-chloro-2-(furan-2-yl)-4-oxoazetidin-1-yl]-2-ethoxybenzamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NN2C(C(C2=O)Cl)C3=CC=CO3","YPKRLWWSVLCTLX-UHFFFAOYSA-N",402313,NA,"PDBC23363","716204","Present",NA,NA
+"23364","4-Acetamido-N-[3-chloro-2-(furan-2-yl)-4-oxoazetidin-1-yl]-2-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[3-chloro-2-(furan-2-yl)-4-oxoazetidin-1-yl]-2-methoxybenzamide",NA,"CC(=O)NC1=CC(=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=CO3)OC","XJWPKJQJPBGGIZ-UHFFFAOYSA-N",402255,NA,"PDBC23364","716146","Present",NA,NA
+"23365","4-Acetamido-N-[3-chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[3-chloro-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-1-yl]benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=C(C(=C3)OC)OC)OC","HIXFLJPXFRBGRX-UHFFFAOYSA-N",374191,NA,"PDBC23365","651667","Present",NA,NA
+"23366","4-Acetamido-N-[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamido-N-[5-[[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]",NA,"CC(=O)NC1=CN(C(=C1)C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NCCC(=O)NCCCN(C)C)C)C)C)C)C.C(=O)(C(F)(F)F)O","QIBYKTQKARRURH-UHFFFAOYSA-N",389090,NA,"PDBC23366","684750","Present",NA,NA
+"23367","4-Acetamidochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetamidochalcone",NA,"CC(=O)NC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2","MJYUMWOKEJNYEM-FMIVXFBMSA-N",5896580,NA,"PDBC23367","640541","Present",NA,NA
+"23368","4-Acetoxy-3',4',5'-trimethoxystilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetoxy-3',4',5'-trimethoxystilbene",NA,"CC(=O)OC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","SYAOAXJVQVJDPD-AATRIKPKSA-N",5388766,NA,"PDBC23368","638481","Present",NA,NA
+"23369","4-Acetoxy-4-methyl-2,5-cyclohexadiene-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetoxy-4-methyl-2,5-cyclohexadiene-1-one",NA,"CC(=O)OC1(C=CC(=O)C=C1)C","VAWNSOIWPPSKIJ-UHFFFAOYSA-N",394650,NA,"PDBC23369","698252","Present",NA,NA
+"23370","4-Acetoxy-6,7-ethano-3a, 4,7,7a-tetrahydro-1H-isoindole-1,3(2H)dione HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-acetoxy-6,8-dimethyl-2-[2-(diethylamino)-ethyl]-4,7-et...",NA,"CCN(CC)CCN1C(=O)C2C3C(CC(C2C1=O)(C=C3C)OC(=O)C)C.Cl","CIHICLAOXFGNPK-UHFFFAOYSA-N",24205633,NA,"PDBC23370","736301","Present",NA,NA
+"23371","4-Acetoxybenzoic acid-propargylester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetoxybenzoic acid-propargylester",NA,"CC(=O)OC1=CC=C(C=C1)C(=O)OCC#C","CYUDZBMZQLGPOB-UHFFFAOYSA-N",390927,NA,"PDBC23371","689148","Present",NA,NA
+"23372","4-Acetyl-1-(2-isopropylphenyl)-2,3,5-pyrrolidinetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-1-(2-isopropylphenyl)-2,3,5-pyrrolidinetrione",NA,"CC(C)C1=CC=CC=C1N2C(=O)C(C(=O)C2=O)C(=O)C","RSIJLVPDCCANIT-UHFFFAOYSA-N",361093,NA,"PDBC23372","623898","Present",NA,NA
+"23373","4-Acetyl-1-(4-chloro-2-methylphenyl)-2,3,5-pyrrolidinetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-1-(4-chloro-2-methylphenyl)-2,3,5-pyrrolidinetrione",NA,"CC1=C(C=CC(=C1)Cl)N2C(=O)C(C(=O)C2=O)C(=O)C","JVYLKHNOKRENNE-UHFFFAOYSA-N",364508,NA,"PDBC23373","630894","Present",NA,NA
+"23374","4-Acetyl-1-[2-(3-acetyl-2,4,5-trioxo-pyrrolidin-1-yl)ethyl]pyrrolidine-2,3,5-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-1-[2-(3-acetyl-2,4,5-trioxo-pyrrolidin-1-yl)ethyl]pyrrolidine-2,3,5-trione",NA,"CC(=O)C1C(=O)C(=O)N(C1=O)CCN2C(=O)C(C(=O)C2=O)C(=O)C","CUSDYBFCHGCLQB-UHFFFAOYSA-N",364518,NA,"PDBC23374","630904","Present",NA,NA
+"23375","4-Acetyl-1-[2-(3-acetyl-2,4,5-trioxo-pyrrolidin-1-yl)phenyl]pyrrolidine-2,3,5-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-1-[2-(3-acetyl-2,4,5-trioxo-pyrrolidin-1-yl)phenyl]pyrrolidine-2,3,5-trione",NA,"CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC=CC=C2N3C(=O)C(C(=O)C3=O)C(=O)C","QAQOETFTTKOZPD-UHFFFAOYSA-N",361095,NA,"PDBC23375","623900","Present",NA,NA
+"23376","4-Acetyl-1-methylcyclohexene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Limona ketone",NA,"CC1=CCC(CC1)C(=O)C","HOBBEYSRFFJETF-UHFFFAOYSA-N",93019,NA,"PDBC23376","632952","Present",NA,NA
+"23377","4-Acetyl-2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-carboxylic acid; 1-phenylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-2,2'-spirobi[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene]-4'-carboxylic acid;1-phenylethanamine",NA,"CC(C1=CC=CC=C1)N.CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)O","RBJAOMSSUVNMDY-UHFFFAOYSA-N",382638,NA,"PDBC23377","670287","Present",NA,NA
+"23378","4-Acetyl-2,2,6,6-tetramethyl-3,5-heptanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dipivaloyl-acetone",NA,"CC(=O)C(C(=O)C(C)(C)C)C(=O)C(C)(C)C","IFBGBXGWLLDOKX-UHFFFAOYSA-N",389076,NA,"PDBC23378","684726","Present",NA,NA
+"23379","4-Acetyl-2,3-dimethyl-1-oxo-1H-pyrrolo[1,2-a]benzimidazol-3a(4H)-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-2,3-dimethyl-1-oxo-1H-pyrrolo[1,2-a]benzimidazol-3a(4H)-yl acetate",NA,"CC1=C(C2(N(C1=O)C3=CC=CC=C3N2C(=O)C)OC(=O)C)C","RVRUFZVVXDPBIT-UHFFFAOYSA-N",363569,NA,"PDBC23379","628541","Present",NA,NA
+"23380","4-Acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-2-methyl-5-oxo-2H-furan-3-olate;[(1R)-2-azanidylcyclohexyl]azanide;platinum(4+)",NA,"CC1C(=C(C(=O)O1)C(=O)C)[O-].CC1C(=C(C(=O)O1)C(=O)C)[O-].C1CCC(C(C1)[NH-])[NH-].[Pt+4]","PHWOOTRKXNOARD-XJIGFLRXSA-L",374013,NA,"PDBC23380","651087","Present",NA,NA
+"23381","4-Acetyl-3-amino-4-methyl-5-propyl-2-cyclopentene-1,1,2-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-3-amino-4-methyl-5-propylcyclopent-2-ene-1,1,2-tricarbonitrile",NA,"CCCC1C(C(=C(C1(C#N)C#N)C#N)N)(C)C(=O)C","IIIIOZNTOGBOQU-UHFFFAOYSA-N",387751,NA,"PDBC23381","681780","Present",NA,NA
+"23382","4-Acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid",NA,"CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)O","BXROPVDEWARMDH-UHFFFAOYSA-N",365582,NA,"PDBC23382","633381","Present",NA,NA
+"23383","4-Acetyl-N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-N-[(5S,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide",NA,"CC(=O)C1=CC=C(C=C1)C(=O)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","DEKGYEPHEASSDU-BSAOIWFSSA-N",369923,NA,"PDBC23383","642290","Present",NA,NA
+"23384","4-Acetylpyrrolidine-2,3,5-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetylpyrrolidine-2,3,5-trione",NA,"CC(=O)C1C(=O)C(=O)NC1=O","WWWXEUMPTSJKBO-UHFFFAOYSA-N",364529,NA,"PDBC23384","630915","Present",NA,NA
+"23385","4-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one",NA,"CC(=O)C1=CC=CC2=C1CC3(C2)CC4=C(C3=O)C5=C(CCC5)C=C4","TXDJWBFUEXVKEI-UHFFFAOYSA-N",385657,NA,"PDBC23385","677003","Present",NA,NA
+"23386","4-Acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[as-indacene-2(1H),2'(1'H)-[s]indacen]-1-one, 4'-acetyl-3,3',5',6,6',7,7',8-octahydro-",NA,"CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C6=C(CCC6)C=C5","ZASRJJAKDNQGAJ-UHFFFAOYSA-N",385658,NA,"PDBC23386","677004","Present",NA,NA
+"23387","4-Acridin-9-yloxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridin-9-yloxybenzaldehyde",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)OC4=CC=C(C=C4)C=O","VINJFCHLENRFGN-UHFFFAOYSA-N",404366,NA,"PDBC23387","720570","Present",NA,NA
+"23388","4-Acridinecarboxamide, 1-chloro-9-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)Cl)C","ZDETZQGGYMTKLL-UHFFFAOYSA-N",365425,NA,"PDBC23388","633045","Present",NA,NA
+"23389","4-Acridinecarboxamide, 1-chloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)Cl","VEVDAEHMNYLCTR-UHFFFAOYSA-N",365402,NA,"PDBC23389","633022","Present",NA,NA
+"23390","4-Acridinecarboxamide, 6-chloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)Cl","QXSBTBILCMBWID-UHFFFAOYSA-N",365405,NA,"PDBC23390","633025","Present",NA,NA
+"23391","4-Acridinecarboxamide, 9-[[4-(aminosulfonyl)phenyl]amino]-1-chloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)N)Cl","HCBNVLMHLFPZKA-UHFFFAOYSA-N",365423,NA,"PDBC23391","633043","Present",NA,NA
+"23392","4-Acridinecarboxamide, 9-[[4-[[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl]phenyl]amino]-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)C","VNSJWFKYDGJDJG-UHFFFAOYSA-N",365417,NA,"PDBC23392","633037","Present",NA,NA
+"23393","4-Acridinecarboxamide, 9-[[4-[[(aminoiminomethyl)amino]sulfonyl]phenyl]amino]-1-chloro-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl","ZFWZEUQUNHQPIE-UHFFFAOYSA-N",365424,NA,"PDBC23393","633044","Present",NA,NA
+"23394","4-Acridinecarboxamide, 9-amino-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, 9-amino-N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)N","KNTUWVYQXDZHBV-UHFFFAOYSA-N",370662,NA,"PDBC23394","644038","Present",NA,NA
+"23395","4-Acridinecarboxamide, N-[4-(aminosulfonyl)phenyl]-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, N-[4-(aminosulfonyl)phenyl]-9-[[4...",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N","GDTFAPHQOIXKPO-UHFFFAOYSA-N",365408,NA,"PDBC23395","633028","Present",NA,NA
+"23396","4-Acridinecarboxamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=CC5=CC=CC=C5N=C43","KKVKRNDSGZWACU-UHFFFAOYSA-N",370670,NA,"PDBC23396","644046","Present",NA,NA
+"23397","4-Acridinecarboxamide, N-[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C","WRBMHUKVLNULCZ-UHFFFAOYSA-N",365399,NA,"PDBC23397","633019","Present",NA,NA
+"23398","4-Acridinecarboxamide, N-[4-[[(aminoiminomethyl)amino]sulfonyl]phenyl]-1-chloro-9-[[4-[[(5-methyl-3-isoxazolyl)amino]sulfonyl]phenyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl","SAZBVNDCUZYFQW-UHFFFAOYSA-N",365420,NA,"PDBC23398","633040","Present",NA,NA
+"23399","4-Allyl-4-(4-methoxyphenyl)-2-cyclohexen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Allyl-4-(4-methoxyphenyl)-2-cyclohexen-1-one",NA,"COC1=CC=C(C=C1)C2(CCC(=O)C=C2)CC=C","MRRVEXMNPHRCNT-UHFFFAOYSA-N",337569,NA,"PDBC23399","356123","Present",NA,NA
+"23400","4-Allyl-4-benzyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-dihydro-furan-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Allyl-4-benzyloxy-5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-dihydro-furan-2,3-dione",NA,"CC1(OCC(O1)C2C(C(=O)C(=O)O2)(CC=C)OCC3=CC=CC=C3)C","QUSJNYTVFAJGCT-UHFFFAOYSA-N",386046,NA,"PDBC23400","677613","Present",NA,NA
+"23401","4-Amidinophenylmethanesulfonyl fluoride hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"apmsf",NA,"C1=CC(=CC=C1CS(=O)(=O)F)C(=N)N.Cl","KHLLRHIUKOJXLL-UHFFFAOYSA-N",16218950,NA,"PDBC23401","727369","Present",NA,NA
+"23402","4-Amino-1,2-dihydrobenz(cd)indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1,2-dihydrobenz(cd)indol-2-one",NA,"C1=CC2=CC(=CC3=C2C(=C1)NC3=O)N","MCVDZIQTLRBPKP-UHFFFAOYSA-N",356218,NA,"PDBC23402","611372","Present",NA,NA
+"23403","4-Amino-1,2-dithiolane-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC109825",NA,"C1C(CSS1)(C(=O)O)N","FMXJRGKDBHQFDW-UHFFFAOYSA-N",269217,NA,"PDBC23403","109825","Present",NA,NA
+"23404","4-Amino-1,2-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1,2-naphthoquinone",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)N","IGONFFFOEMASIA-UHFFFAOYSA-N",72908,NA,"PDBC23404","25028","Present",NA,NA
+"23405","4-Amino-1,3-dibromo-5H-phenanthridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1,3-dibromophenanthridin-6(5H)-one",NA,"C1=CC=C2C(=C1)C3=C(C(=C(C=C3Br)Br)N)NC2=O","HDFRODLERVAMAX-UHFFFAOYSA-N",278033,NA,"PDBC23405","127128","Present",NA,NA
+"23406","4-Amino-1,4-dihydropyrazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL490534",NA,"C1=NNC(=O)C1N","USGNZHHNWYDCTC-UHFFFAOYSA-N",358966,NA,"PDBC23406","619159","Present",NA,NA
+"23407","4-Amino-1-(2-hydroxyethoxymethyl)-5H-pyrazolo[3,4-d]pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[(2-hydroxyethoxy)methyl]-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one",NA,"C1=NN(C2=NC(=O)NC(=C21)N)COCCO","SMDUTKLXOXIYQO-UHFFFAOYSA-N",135503407,NA,"PDBC23407","622936","Present",NA,NA
+"23408","4-Amino-1-(2-hydroxyethyl)pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyethyl)cytosine",NA,"C1=CN(C(=O)N=C1N)CCO","ATQNWDREMOIFSG-UHFFFAOYSA-N",367641,NA,"PDBC23408","637519","Present",NA,NA
+"23409","4-Amino-1-(beta-D-ribofuranosyl)pyrrolo[2,3-d]pyridazine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-amino-1-(.beta.-D-ribofuranosyl)pyrrolo[2,3-d]pyridazi...",NA,"C1=CN(C2=CN=NC(=C21)N)C3C(C(C(O3)CO)O)O.Cl","UUMRKMASKXQLMF-UHFFFAOYSA-N",365911,NA,"PDBC23409","634034","Present",NA,NA
+"23410","4-Amino-1-(oxan-2-yl)-5H-pyrazolo[3,4-d]pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-(tetrahydro-2H-pyran-2-yl)-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one",NA,"C1CCOC(C1)N2C3=NC(=O)NC(=C3C=N2)N","VKUINRZQHQNXSQ-UHFFFAOYSA-N",135503406,NA,"PDBC23410","622935","Present",NA,NA
+"23411","4-Amino-1-(p-chlorophenyl)-3-methylpyrrolo[2,3-d]pyrimidin-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-(p-chlorophenyl)-3-methylpyrrolo[2,3-d]pyrimid...",NA,"CC1=C(N(C2=NC=NC(=C12)N)C3=CC=C(C=C3)Cl)C(=O)O","MSAMCYFETBNRGS-UHFFFAOYSA-N",405969,NA,"PDBC23411","723792","Present",NA,NA
+"23412","4-Amino-1-[(1R)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3,5-triazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[(1R)-4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3,5-triazin-2(1H)-one",NA,"C1=C(C(C(C1N2C=NC(=NC2=O)N)O)O)CO","MPNOBTCOXZTZMJ-GRQBKTHUSA-N",364971,NA,"PDBC23412","631875","Present",NA,NA
+"23413","4-Amino-1-[(E)-2-diethoxyphosphorylvinyl]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[(E)-2-diethoxyphosphorylvinyl]pyrimidin-2-one",NA,"CCOP(=O)(C=CN1C=CC(=NC1=O)N)OCC","YOLNCEADVZJJAP-BQYQJAHWSA-N",5470773,NA,"PDBC23413","704893","Present",NA,NA
+"23414","4-Amino-1-[(Z)-2-diethoxyphosphorylvinyl]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[(Z)-2-diethoxyphosphorylvinyl]pyrimidin-2-one",NA,"CCOP(=O)(C=CN1C=CC(=NC1=O)N)OCC","YOLNCEADVZJJAP-FPLPWBNLSA-N",5470774,NA,"PDBC23414","704894","Present",NA,NA
+"23415","4-Amino-1-[2-hydroxy-2-(1H-indol-2-yl)ethyl]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[2-hydroxy-2-(1H-indol-2-yl)ethyl]pyrimidin-2-one",NA,"C1=CC=C2C(=C1)C=C(N2)C(CN3C=CC(=NC3=O)N)O","WIPYTKNAAQMPQR-UHFFFAOYSA-N",396998,NA,"PDBC23415","704235","Present",NA,NA
+"23416","4-Amino-1-[3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[3-[bis(4-methoxyphenyl)-phenylmethyl]sulfanyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)SC4C(C(OC4N5C=CC(=NC5=O)N)CO)O","GZRPHSVPZRZRDD-UHFFFAOYSA-N",401181,NA,"PDBC23416","714382","Present",NA,NA
+"23417","4-Amino-1-[4,5-dihydroxy-1,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[4,5-dihydroxy-1,3-bis(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2(1H)-one",NA,"C1=CN(C(=O)N=C1N)C2(C=C(C(C2O)O)CO)CO","BBNNDIPADHZUAH-UHFFFAOYSA-N",366732,NA,"PDBC23417","635454","Present",NA,NA
+"23418","4-Amino-1-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3,5-triazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-1,3,5-triazin-2(1H)-one",NA,"C1=C(C(C(C1N2C=NC(=NC2=O)N)O)O)CO","MPNOBTCOXZTZMJ-UHFFFAOYSA-N",366730,NA,"PDBC23418","635452","Present",NA,NA
+"23419","4-Amino-1-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyridin-2(1H)-one",NA,"C1=CN(C(=O)C=C1N)C2C=C(C(C2O)O)CO","YCRKYJVJMABCKH-UHFFFAOYSA-N",363220,NA,"PDBC23419","627961","Present",NA,NA
+"23420","4-Amino-1-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-5-fluoropyrimidin-2-one",NA,"C1C(C(C(OC1N2C=C(C(=NC2=O)N)F)CO)O)O","XFQSDALDOVQOKO-UHFFFAOYSA-N",257340,NA,"PDBC23420","85308","Present",NA,NA
+"23421","4-Amino-1-benzyl-2-phenyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-benzyl-2-phenyl-1,2,4-triazolidine-3,5-dione",NA,"C1=CC=C(C=C1)CN2C(=O)N(C(=O)N2C3=CC=CC=C3)N","JSNHDWWDUWFXHY-UHFFFAOYSA-N",363967,NA,"PDBC23421","629566","Present",NA,NA
+"23422","4-Amino-1-benzyl-5H-pyrazolo[3,4-d]pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-benzyl-1,2-dihydro-6H-pyrazolo[3,4-d]pyrimidin-6-one",NA,"C1=CC=C(C=C1)CN2C3=NC(=O)NC(=C3C=N2)N","JOXPVVFOFSJNNB-UHFFFAOYSA-N",135478196,NA,"PDBC23422","622937","Present",NA,NA
+"23423","4-Amino-1-benzylpiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-amino-1-benzylpiperidine",NA,"C1CN(CCC1N)CC2=CC=CC=C2","YUBDLZGUSSWQSS-UHFFFAOYSA-N",415852,NA,"PDBC23423","730607","Present",NA,NA
+"23424","4-Amino-1-methyl-1H-imidazole-5-carboselenoamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-methyl-1H-imidazole-5-carboselenoamide",NA,"CN1C=NC(=C1C(=N)[Se])N","SMYADAJBJIXZHB-UHFFFAOYSA-N",6327894,NA,"PDBC23424","205357","Present",NA,NA
+"23425","4-Amino-1-methyl-6-piperidinopyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1-methyl-6-piperidinopyrazolo[3,4-d]pyrimidine",NA,"CN1C2=NC(=NC(=C2C=N1)N)N3CCCCC3","XOQXMHMLTPLJEX-UHFFFAOYSA-N",405596,NA,"PDBC23425","722963","Present",NA,NA
+"23426","4-Amino-11-[(4-chlorophenyl)methyl]-5,6,8,11-tetrazatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),3,6,12,14,16-hexaen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-11-[(4-chlorophenyl)methyl]-5,6,8,11-tetrazatetracyclo[8.7.0.03,7.012,17]heptadeca-1(10),3,6,12,14,16-hexaen-9-one",NA,"C1C2=C(C(=O)NC3=NNC(=C31)N)N(C4=CC=CC=C24)CC5=CC=C(C=C5)Cl","MGKDRYGXJADUDS-UHFFFAOYSA-N",388273,NA,"PDBC23426","682914","Present",NA,NA
+"23427","4-Amino-14-nitro-6-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-14-nitro-6-phenyl-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile",NA,"C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=CC=C4","PRCKAOQISITRQL-UHFFFAOYSA-N",403235,NA,"PDBC23427","717894","Present",NA,NA
+"23428","4-Amino-1H-imidazole-2,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-1H-imidazole-2,5-dicarbonitrile",NA,"C(#N)C1=C(N=C(N1)C#N)N","ROXJKYXRRSOBPB-UHFFFAOYSA-N",385943,NA,"PDBC23428","677415","Present",NA,NA
+"23429","4-Amino-2,2,6,6-tetramethyl-3,5-heptanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2,2,6,6-tetramethylheptane-3,5-dione",NA,"CC(C)(C)C(=O)C(C(=O)C(C)(C)C)N","IXPNYTNGVLSTHW-UHFFFAOYSA-N",389079,NA,"PDBC23429","684729","Present",NA,NA
+"23430","4-Amino-2,6-dimethyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-3-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Aamino-2,6-dimethyl-5-[5-(4-methylphenyl)-1H-pyrazol-3...",NA,"CC1=CC=C(C=C1)C2=NNC(=C2)C3=C(C(=O)N(N=C3C)C)N","QBYGBWFAFPXSJS-UHFFFAOYSA-N",403912,NA,"PDBC23430","719571","Present",NA,NA
+"23431","4-Amino-2-((4-methoxybenzylidene)amino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-((4-methoxybenzylidene)amino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile",NA,"COC1=CC=C(C=C1)C=NN2C(=O)C3=C(C(=C(C(=C3C2=O)N)C#N)C4=CC=CC=C4)C5=CC=CC=C5","QCPLFIMBHQCIBJ-VTNSRFBWSA-N",9578738,NA,"PDBC23431","697047","Present",NA,NA
+"23432","4-Amino-2-(1H-benzimidazol-2-ylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-(1H-benzimidazol-2-ylamino)-6-(3,4,5-trimethoxyphenyl)pyrimidine-5-carbonitrile",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C(=NC(=N2)NC3=NC4=CC=CC=C4N3)N)C#N","JOWVCGGXWXUBMV-UHFFFAOYSA-N",60147685,NA,"PDBC23432","752200","Present",NA,NA
+"23433","4-Amino-2-(4-chloroanilino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-(4-chloroanilino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"C1=CC=C(C=C1)NC(=S)C2=C(NC(=C2N)C(=O)C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)Cl","ZNBUNKOWADISJX-UHFFFAOYSA-N",5472776,NA,"PDBC23433","721531","Present",NA,NA
+"23434","4-Amino-2-(4-chloroanilino)-5-(4-methoxybenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-(4-chloroanilino)-5-(4-methoxybenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"COC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=CC=C(C=C3)Cl)C(=S)NC4=CC=CC=C4)N","AOZUNSNYSQOEEK-UHFFFAOYSA-N",5472821,NA,"PDBC23434","721858","Present",NA,NA
+"23435","4-Amino-2-(4-chloroanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-(4-chloroanilino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=CC=C(C=C3)Cl)C(=S)NC4=CC=CC=C4)N","ABMVZGXSTHXHIO-UHFFFAOYSA-N",5472799,NA,"PDBC23435","721554","Present",NA,NA
+"23436","4-Amino-2-(5H-chromeno[4,3-d]pyrimidin-2-ylamino)-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-(5h-chromeno[4,3-d]pyrimidin-2-ylamino)-4-oxo-butanoic acid",NA,"C1C2=CN=C(N=C2C3=CC=CC=C3O1)NC(CC(=O)N)C(=O)O","YWIIMIOORXJSDO-UHFFFAOYSA-N",390584,NA,"PDBC23436","688107","Present",NA,NA
+"23437","4-Amino-2-(benzylamino)-5-(3,4-dichlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-(benzylamino)-5-(3,4-dichlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC(=C(C=C3)Cl)Cl)N)C(=S)NC4=CC=CC=C4","NNXWGIRCVKYXRV-UHFFFAOYSA-N",5472781,NA,"PDBC23437","721536","Present",NA,NA
+"23438","4-Amino-2-(benzylamino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-(benzylamino)-5-(4-chlorobenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4","DOBDKLHUGXVJKF-UHFFFAOYSA-N",5472780,NA,"PDBC23438","721535","Present",NA,NA
+"23439","4-Amino-2-(benzylamino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-(benzylamino)-5-(4-methylbenzoyl)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NCC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)N","MJVUZEFAQAJPTN-UHFFFAOYSA-N",5472778,NA,"PDBC23439","721533","Present",NA,NA
+"23440","4-Amino-2-(methylamino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-(methylamino)-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile",NA,"CNN1C(=O)C2=C(C(=C(C(=C2C1=O)N)C#N)C3=CC=CC=C3)C4=CC=CC=C4","FGMWKTXSFWBIGO-UHFFFAOYSA-N",393974,NA,"PDBC23440","697046","Present",NA,NA
+"23441","4-Amino-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]-4-oxobutanoic acid",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CC(=O)N)C(=O)O","AJGUZRWWUWJACA-UHFFFAOYSA-N",373576,NA,"PDBC23441","650029","Present",NA,NA
+"23442","4-Amino-2-anilino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-anilino-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile",NA,"C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)NC5=CC=CC=C5)N)C#N","BIGXHKZVGYIKTJ-UHFFFAOYSA-N",393973,NA,"PDBC23442","697045","Present",NA,NA
+"23443","4-Amino-2-anilino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-anilino-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile",NA,"CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)NC3=CC=CC=C3)C","UFNNAJYEGQUZDX-UHFFFAOYSA-N",393965,NA,"PDBC23443","697037","Present",NA,NA
+"23444","4-Amino-2-benzoyl-5-phenyl-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-benzoyl-5-phenyl-1,2,4-triazol-3-one",NA,"C1=CC=C(C=C1)C2=NN(C(=O)N2N)C(=O)C3=CC=CC=C3","KUWWLVAPUPYSTN-UHFFFAOYSA-N",386142,NA,"PDBC23444","677774","Present",NA,NA
+"23445","4-Amino-2-hydrazino-6-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-hydrazino-6-methyl-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one",NA,"CC1CC2=C(N=C(N=C2NC1=O)NN)N","LEJYBEKWLQBFKA-UHFFFAOYSA-N",362169,NA,"PDBC23445","625747","Present",NA,NA
+"23446","4-Amino-2-hydroxy-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-hydroxy-1,3-dioxo-6,7-diphenyl-5-isoindolinecarbonitrile",NA,"C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)O)N)C#N","MIQINOYXVULBGO-UHFFFAOYSA-N",393966,NA,"PDBC23446","697038","Present",NA,NA
+"23447","4-Amino-2-hydroxy-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-hydroxy-6,7-dimethyl-1,3-dioxo-5-isoindolinecarbonitrile",NA,"CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)O)C","DXDZLKBBLSTAPJ-UHFFFAOYSA-N",393961,NA,"PDBC23447","697033","Present",NA,NA
+"23448","4-Amino-2-methyl-5-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-methyl-5-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,"CC1=CC=C(C=C1)CC2=NN(C(=O)N2N)C","BRMWIDLRDKDPLF-UHFFFAOYSA-N",389496,NA,"PDBC23448","685782","Present",NA,NA
+"23449","4-Amino-2-methylbenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-2-methylbenzaldehyde",NA,"CC1=C(C=CC(=C1)N)C=O","ZBHHWKBPSJWDBX-UHFFFAOYSA-N",383956,NA,"PDBC23449","672960","Present",NA,NA
+"23450","4-Amino-2-oxo-3-phenyl-1H-imidazole-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-oxo-1-phenyl-2,3-dihydro-1H-imidazole-4-carbonitrile",NA,"C1=CC=C(C=C1)N2C(=C(NC2=O)C#N)N","CXDMRPFOYQEPAN-UHFFFAOYSA-N",379268,NA,"PDBC23450","663774","Present",NA,NA
+"23451","4-Amino-3,5-dichloro-N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3,5-dichloro-N-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)benzamide",NA,"COC1=CC=CC=C1N2CCN(CC2)CCCNC(=O)C3=CC(=C(C(=C3)Cl)N)Cl","UCGWLRAHZIJPNH-UHFFFAOYSA-N",379857,NA,"PDBC23451","664993","Present",NA,NA
+"23452","4-Amino-3-(2-hydrazinoethyl)-1H-1,2,4-triazol-5-one; formaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-(2-hydrazinoethyl)-1H-1,2,4-triazol-5-one; formaldehyde",NA,"C=O.C(CNN)C1=NNC(=O)N1N","UOXJWXNUYRIZAI-UHFFFAOYSA-N",384780,NA,"PDBC23452","675216","Present",NA,NA
+"23453","4-Amino-3-(2-methoxyphenyl)-5-methyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-(2-methoxyphenyl)-5-methyl-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2-thione",NA,"CC1=C(NC2=NC(=S)N(C(=C12)N)C3=CC=CC=C3OC)C4=CC=CC=C4","FKNMYOLBVZNZSS-UHFFFAOYSA-N",3004447,NA,"PDBC23453","655419","Present",NA,NA
+"23454","4-Amino-3-(4-nitrophenyl)-2-oxo-1H-imidazole-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-(4-nitrophenyl)-2-oxo-1H-imidazole-5-carbonitrile",NA,"C1=CC(=CC=C1N2C(=C(NC2=O)C#N)N)[N+](=O)[O-]","YSYCGKUUVXCBME-UHFFFAOYSA-N",3836224,NA,"PDBC23454","663775","Present",NA,NA
+"23455","4-Amino-3-(p-chlorobenzyl)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-(p-chlorobenzyl)-1H-1,2,4-triazol-5-one",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2N)Cl","MMGCFXABPOMXGC-UHFFFAOYSA-N",385484,NA,"PDBC23455","676720","Present",NA,NA
+"23456","4-Amino-3-(p-chlorophenyl)-5-[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidenehydrazinocarbonyl]thiazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-amino-3-(p-chlorophenyl)-5-[(1-phenyl-3,5-dimethylpyra...",NA,"CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)N","FUHWKCDGKNQLHR-BRJLIKDPSA-N",9572520,NA,"PDBC23456","720055","Present",NA,NA
+"23457","4-Amino-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-one",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2N)[N+](=O)[O-]","FTZJIUOQQYVPPI-UHFFFAOYSA-N",384782,NA,"PDBC23457","675217","Present",NA,NA
+"23458","4-Amino-3-[(4-{[(4,6-dimethylpyrimidin-2-yl)amino]sulfonyl}phenyl)amino]-1,2,4-triazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Amino-5-oxo-1,2,4-triazin-3-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=CC(=O)N3N)C","JKMPHQOEQZIUEO-UHFFFAOYSA-N",399667,NA,"PDBC23458","710585","Present",NA,NA
+"23459","4-Amino-3-[2-[2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)anilino]phenyl]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-[2-[2-(4-amino-5-thioxo-1H-1,2,4-triazol-3-yl)anilino]phenyl]-1H-1,2,4-triazole-5-thione",NA,"C1=CC=C(C(=C1)C2=NNC(=S)N2N)NC3=CC=CC=C3C4=NNC(=S)N4N","ROFANEFYHBZYSH-UHFFFAOYSA-N",3005880,NA,"PDBC23459","698460","Present",NA,NA
+"23460","4-Amino-3-[8-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)octyl]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-[8-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)octyl]-1H-1,2,4-triazole-5-thione",NA,"C(CCCCC1=NNC(=S)N1N)CCCC2=NNC(=S)N2N","ZTMZPCQFOPVJLI-UHFFFAOYSA-N",3283787,NA,"PDBC23460","700438","Present",NA,NA
+"23461","4-Amino-3-[[4-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-[[4-[(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-1H-1,2,4-triazole-5-thione",NA,"CC(C)(C)C1=CC(=C(C=C1OCC2=NNC(=S)N2N)Cl)OCC3=NNC(=S)N3N","VQCSIMNXTNBVMD-UHFFFAOYSA-N",5472199,NA,"PDBC23461","716887","Present",NA,NA
+"23462","4-Amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate;2-ethylbutyl 2-cyanoprop-2-enoate;methylsulfinylmethane;platinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate;2-ethylbutyl 2-cyanoprop-2-enoate;methylsulfinylmethane;platinum(2+)",NA,"CCC(CC)COC(=O)C(=C)C#N.CCC(CC)COC(=O)C(=C)C#N.CS(=O)C.CS(=O)C.C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Pt+2]","VVIRANNEOAOEFI-UHFFFAOYSA-L",5351345,NA,"PDBC23462","615593","Present",NA,NA
+"23463","4-Amino-3-benzyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-benzyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N","AZMCJBWBAUGCAN-UHFFFAOYSA-N",384492,NA,"PDBC23463","674325","Present",NA,NA
+"23464","4-Amino-3-ethyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-3-ethyl-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1N","ZXGTZAGVVNTWAW-UHFFFAOYSA-N",384491,NA,"PDBC23464","674324","Present",NA,NA
+"23465","4-Amino-3-iodo-1-(beta-D-ribofuranosyl)pyrrolo[2,3-d] pyridazin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-amino-3-iodo-1-(.beta.-D-ribofuranosyl)pyrrolo[2,3-d] ...",NA,"C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)C(=O)NN=C2N)I","SFEJDVWRGQKIIY-UHFFFAOYSA-N",365913,NA,"PDBC23465","634035","Present",NA,NA
+"23466","4-Amino-3-methyl-2,6-diphenylpiperidine-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC355147",NA,"CC1C(NC(CC1(C#N)N)C2=CC=CC=C2)C3=CC=CC=C3","HUSDDKCTLLCYKF-UHFFFAOYSA-N",434709,NA,"PDBC23466","355147","Present",NA,NA
+"23467","4-Amino-3-pentadecylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-AMINO-3-PENTADECYLPHENOL",NA,"CCCCCCCCCCCCCCCC1=C(C=CC(=C1)O)N","JEAQATRYHARRAU-UHFFFAOYSA-N",219123,NA,"PDBC23467","17","Present",NA,NA
+"23468","4-Amino-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC-907/34126047",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N","OVCWQZAMXXYERB-UHFFFAOYSA-N",384494,NA,"PDBC23468","674327","Present",NA,NA
+"23469","4-Amino-3-phenyl-5[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidinehydrazinocarbonyl]thiazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-amino-3-phenyl-5[(1-phenyl-3,5-dimethylpyrazol-4- yl)m...",NA,"CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=O)C3=C(N(C(=S)S3)C4=CC=CC=C4)N","RDIMAXBLZJLZKT-ZMOGYAJESA-N",9572519,NA,"PDBC23469","720054","Present",NA,NA
+"23470","4-Amino-4-(2-carboxyethyl)heptanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC-13310",NA,"C(CC(CCC(=O)O)(CCC(=O)O)N)C(=O)O","UOPIUZMVWLTGPP-UHFFFAOYSA-N",387081,NA,"PDBC23470","680472","Present",NA,NA
+"23471","4-Amino-4-ethyl-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"20-amino-20-deoxy-20(rs)-camptothecin///NSC682298",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)N","QRIADWXXXCEJCX-UHFFFAOYSA-N",496212,NA,"PDBC23471","619230///682298","Present",NA,NA
+"23472","4-Amino-4-oxo-2-(p-tolylsulfonylcarbamoylamino)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-4-oxo-2-(p-tolylsulfonylcarbamoylamino)butanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CC(=O)N)C(=O)O","KHIAJJQTBUGJPU-UHFFFAOYSA-N",396488,NA,"PDBC23472","702672","Present",NA,NA
+"23473","4-Amino-5-((1-methyl-2-oxo-2-((phosphonomethyl)amino)ethyl)amino)-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-((1-methyl-2-oxo-2-((phosphonomethyl)amino)ethyl)amino)-5-oxopentanoic acid",NA,"CC(C(=O)NCP(=O)(O)O)NC(=O)C(CCC(=O)O)N","NZMQLBRLLTWUTM-UHFFFAOYSA-N",382718,NA,"PDBC23473","670389","Present",NA,NA
+"23474","4-Amino-5-(1H-benzimidazol-2-yl)-3-(2-methylphenyl)-1,3-thiazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-(1H-benzimidazol-2-yl)-3-(2-methylphenyl)-1,3-thiazole-2(3H)-thione",NA,"CC1=CC=CC=C1N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N","CPVADMYHLJQWKK-UHFFFAOYSA-N",365507,NA,"PDBC23474","633187","Present",NA,NA
+"23475","4-Amino-5-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)-1,3-thiazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-(1H-benzimidazol-2-yl)-3-(3-methylphenyl)-1,3-thiazole-2(3H)-thione",NA,"CC1=CC(=CC=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N","HPUFDXLCXITGKG-UHFFFAOYSA-N",365508,NA,"PDBC23475","633188","Present",NA,NA
+"23476","4-Amino-5-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1,3-thiazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-(1H-benzimidazol-2-yl)-3-(4-chlorophenyl)-1,3-thiazole-2(3H)-thione",NA,"C1=CC=C2C(=C1)NC(=N2)C3=C(N(C(=S)S3)C4=CC=C(C=C4)Cl)N","IGIAYWXMEXEKNP-UHFFFAOYSA-N",365509,NA,"PDBC23476","633189","Present",NA,NA
+"23477","4-Amino-5-(2,2-dimethoxyethyl)-5-methoxyfuran-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(5H)-Furanone, 4-amino-5-(2,2-dimethoxyethyl)-5-methoxy",NA,"COC(CC1(C(=CC(=O)O1)N)OC)OC","ZBUCOFQPCDVMQQ-UHFFFAOYSA-N",364043,NA,"PDBC23477","629660","Present",NA,NA
+"23478","4-Amino-5-(4-acetylphenylazo)benzofurazan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XECKKTGERQNONH-WUKNDPDISA-N",NA,"CC(=O)C1=CC=C(C=C1)N=NC2=C(C3=NON=C3C=C2)N","XECKKTGERQNONH-UHFFFAOYSA-N",379411,NA,"PDBC23478","663953","Present",NA,NA
+"23479","4-Amino-5-(4-chlorobenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-(4-chlorobenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"CC1=CC(=NC=C1)NC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4","WALAVOXUXQSYGI-UHFFFAOYSA-N",5472772,NA,"PDBC23479","721527","Present",NA,NA
+"23480","4-Amino-5-(4-chlorobenzoyl)-2-[(5-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-(4-chlorobenzoyl)-2-[(5-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"CC1=CN=C(C=C1)NC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)Cl)N)C(=S)NC4=CC=CC=C4","KQOHRYQXDHGLLM-UHFFFAOYSA-N",5472785,NA,"PDBC23480","721540","Present",NA,NA
+"23481","4-Amino-5-(4-methoxybenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-(4-methoxybenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"CC1=CC(=NC=C1)NC2=C(C(=C(N2)C(=O)C3=CC=C(C=C3)OC)N)C(=S)NC4=CC=CC=C4","BOXSHDDFTYTPOV-UHFFFAOYSA-N",5472788,NA,"PDBC23481","721543","Present",NA,NA
+"23482","4-Amino-5-(4-methylbenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-(4-methylbenzoyl)-2-[(4-methylpyridin-2-yl)amino]-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"CC1=CC=C(C=C1)C(=O)C2=C(C(=C(N2)NC3=NC=CC(=C3)C)C(=S)NC4=CC=CC=C4)N","VMSRCNSERRPWGW-UHFFFAOYSA-N",5472822,NA,"PDBC23482","721859","Present",NA,NA
+"23483","4-Amino-5-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-chloro-2-methylanilino)thiophene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-(5-chloro-1-benzofuran-2-carbonyl)-2-(4-chloro-2-methylanilino)thiophene-3-carbonitrile",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C(=C(S2)C(=O)C3=CC4=C(O3)C=CC(=C4)Cl)N)C#N","NQDRSEQLRQZOHD-UHFFFAOYSA-N",328931,NA,"PDBC23483","309895","Present",NA,NA
+"23484","4-Amino-5-[(4-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-[(4-chlorophenyl)methyl]-2-methyl-1,2,4-triazol-3-one",NA,"CN1C(=O)N(C(=N1)CC2=CC=C(C=C2)Cl)N","LYHUILQYQFWADG-UHFFFAOYSA-N",386447,NA,"PDBC23484","678476","Present",NA,NA
+"23485","4-Amino-5-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-[4-[7-(benzylamino)-6-chloro-4-pyrrolidin-1-ylpteridin-2-yl]piperazin-1-yl]-5-oxopentanoic acid",NA,"C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)N5CCN(CC5)C(=O)C(CCC(=O)O)N","IKUDHLLUPGPPML-UHFFFAOYSA-N",403196,NA,"PDBC23485","717850","Present",NA,NA
+"23486","4-Amino-5-[[2-[4-[bis(2-chloroethyl)amino]phenyl]-1-carboxyethyl]amino]-5-oxopentanoic acid;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678527///NSC678529",NA,"C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(CCC(=O)O)N)N(CCCl)CCCl.C(=O)(C(F)(F)F)O","QTSNVVPNRJLQQB-UHFFFAOYSA-N",386486,NA,"PDBC23486","678527///678529","Present",NA,NA
+"23487","4-Amino-5-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methoxy-1H-pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694764///NSC694766",NA,"COC1=NC(=C(C(=O)N1)NC2C(C(C(O2)CO)O)O)N","KWNLCXYORSLHIP-UHFFFAOYSA-N",135416145,NA,"PDBC23487","694764///694766","Present",NA,NA
+"23488","4-Amino-5-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methylsulfanyl-1H-pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]amino]-2-methylsulfanyl-1H-pyrimidin-6-one///NSC694767",NA,"CSC1=NC(=C(C(=O)N1)NC2C(C(C(O2)CO)O)O)N","DYJHKYXQMNRKKJ-UHFFFAOYSA-N",135452702,NA,"PDBC23488","694765///694767","Present",NA,NA
+"23489","4-Amino-5-benzoyl-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-benzoyl-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"C1=CC=C(C=C1)CNC2=C(C(=C(N2)C(=O)C3=CC=CC=C3)N)C(=S)NC4=CC=CC=C4","DCSUASFGTWSDJR-UHFFFAOYSA-N",5472824,NA,"PDBC23489","721861","Present",NA,NA
+"23490","4-Amino-5-benzoyl-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-benzoyl-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide",NA,"CC(C)NC1=C(C(=C(N1)C(=O)C2=CC=CC=C2)N)C(=S)NC3=CC=CC=C3","IVVVSWSRAQMINC-UHFFFAOYSA-N",5472826,NA,"PDBC23490","721875","Present",NA,NA
+"23491","4-Amino-5-benzoyl-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-benzoyl-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide",NA,"CCCNC1=C(C(=C(N1)C(=O)C2=CC=CC=C2)N)C(=S)NC3=CC=CC=C3","NGIGQDZTCRINKD-UHFFFAOYSA-N",5472825,NA,"PDBC23491","721874","Present",NA,NA
+"23492","4-Amino-5-cyano-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-cyano-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylic acid",NA,"C1=CC(=CC(=C1)N2C(=O)C(=C(C(=N2)C(=O)O)N)C#N)C(F)(F)F","MUEXYIPTRVIPKV-UHFFFAOYSA-N",361081,NA,"PDBC23492","623886","Present",NA,NA
+"23493","4-Amino-5-fluoro-1-[5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-fluoro-1-[5-(hydroxymethyl)-4-methoxyoxolan-2-yl]pyrimidin-2-one",NA,"COC1CC(OC1CO)N2C=C(C(=NC2=O)N)F","BYUZUDWHOBVDJH-UHFFFAOYSA-N",356524,NA,"PDBC23493","612788","Present",NA,NA
+"23494","4-Amino-5-hydroxy-3-[(Z)-[4-[4-[(Z)-(2-hydroxy-6,8-disulfo-1-naphthyl)azo]phenyl]phenyl]azo]-6-[(E)-phenylazo]naphthalene-2,7-disulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Naphthalenedisulfonic acid, 4-amino-5-hydroxy-3-[[4'...",NA,"C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=CC7=CC(=CC(=C76)S(=O)(=O)O)S(=O)(=O)O)O)N)O","NGXZQFXXAIWYDJ-UHFFFAOYSA-N",135479135,NA,"PDBC23494","79741","Present",NA,NA
+"23495","4-Amino-5-nitro-9H-fluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-nitro-9H-fluoren-9-one",NA,"C1=CC2=C(C(=C1)N)C3=C(C2=O)C=CC=C3[N+](=O)[O-]","BKGQKTNQMGETSA-UHFFFAOYSA-N",5144559,NA,"PDBC23495","625171","Present",NA,NA
+"23496","4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2-thiol",NA,"C1CCC2=NC3=NC(=S)NC(=C3C(=C2C1)C4=CC=CC=C4)N","KOIUJRZOOZNDRQ-UHFFFAOYSA-N",5465894,NA,"PDBC23496","667075","Present",NA,NA
+"23497","4-Amino-6,7-bis(4-chlorophenyl)-1H-pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6,7-bis(4-chlorophenyl)-1H-pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxide",NA,"C1=CC(=CC=C1C2=C(N=C3C(=N2)C(=NS(=O)(=O)N3)N)C4=CC=C(C=C4)Cl)Cl","ZBLVPVWVJAMVFY-UHFFFAOYSA-N",135439985,NA,"PDBC23497","633672","Present",NA,NA
+"23498","4-Amino-6,7-bis(4-methoxyphenyl)-1H-pyrazino[2,3-c][1,2,6]thiadiazine 2,2-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Bis(4-methoxyphenyl)-2,2-dioxo-1H-pyrazino[2,3-c][1,2,6]thiadiazin-4-amine",NA,"COC1=CC=C(C=C1)C2=C(N=C3C(=N2)C(=NS(=O)(=O)N3)N)C4=CC=C(C=C4)OC","GMZFGCVLUBLQDQ-UHFFFAOYSA-N",135439986,NA,"PDBC23498","633673","Present",NA,NA
+"23499","4-Amino-6,7-difluoro-3-cinnolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6,7-difluoro-3-cinnolinecarboxamide",NA,"C1=C2C(=CC(=C1F)F)N=NC(=C2N)C(=O)N","BGPGOGLEZQUOCF-UHFFFAOYSA-N",495816,NA,"PDBC23499","669308","Present",NA,NA
+"23500","4-Amino-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-amino-6,7-dihydro-5H -cyclopenta[b]pyridin-2-yl-4-meth...",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=NC3=C(CCC3)C(=C2)N","WEDJTHOBXWJYEJ-UHFFFAOYSA-N",220689,NA,"PDBC23500","3753","Present",NA,NA
+"23501","4-Amino-6,7-dimethyl-1,3-dioxo-2-(2-(1-piperazinyl)ethyl)-5-isoindolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6,7-dimethyl-1,3-dioxo-2-(2-(1-piperazinyl)ethyl)-5-isoindolinecarbonitrile",NA,"CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)CCN3CCNCC3)C","QAAQISIXWJQVCG-UHFFFAOYSA-N",393958,NA,"PDBC23501","697030","Present",NA,NA
+"23502","4-Amino-6,7-dimethyl-1,3-dioxo-2-phenethyl-isoindoline-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6,7-dimethyl-1,3-dioxo-2-phenethyl-isoindoline-5-carbonitrile",NA,"CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)CCC3=CC=CC=C3)C","NCVWDGCRPVFWLS-UHFFFAOYSA-N",393959,NA,"PDBC23502","697031","Present",NA,NA
+"23503","4-Amino-6,7-dimethyl-2-(methylamino)-1,3-dioxo-5-isoindolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6,7-dimethyl-2-(methylamino)-1,3-dioxo-5-isoindolinecarbonitrile",NA,"CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)NC)C","CYIAXLJZZRYZSK-UHFFFAOYSA-N",393964,NA,"PDBC23503","697036","Present",NA,NA
+"23504","4-Amino-6,7-dimethyl-3-cinnolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6,7-dimethyl-3-cinnolinecarboxamide",NA,"CC1=CC2=C(C=C1C)N=NC(=C2N)C(=O)N","KXPCUIXOCXAWNH-UHFFFAOYSA-N",495814,NA,"PDBC23504","669305","Present",NA,NA
+"23505","4-Amino-6-(3,4-dimethoxyphenyl)-14-fluoro-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-(3,4-dimethoxyphenyl)-14-fluoro-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2,4,6,12,14-hexaene-5-carbonitrile",NA,"COC1=C(C=C(C=C1)C2=C3CCCC4=C(C3=NC(=C2C#N)N)C=C(C=C4)F)OC","UFVOGEFUBGJSIA-UHFFFAOYSA-N",24202986,NA,"PDBC23505","726432","Present",NA,NA
+"23506","4-Amino-6-(4-chlorophenyl)-14-nitro-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-(4-chlorophenyl)-14-nitro-3-oxatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),4,12,14-pentaene-5-carbonitrile",NA,"C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl","WURHFSXAVRLWIS-UHFFFAOYSA-N",401106,NA,"PDBC23506","714000","Present",NA,NA
+"23507","4-Amino-6-(4-nitrophenyl)-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),4,11,13-pentaene-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-(4-nitrophenyl)-3-oxatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),4,11,13-pentaene-5-carbonitrile",NA,"C1CC2=CC=CC=C2C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)[N+](=O)[O-]","HPGKMOIISNROJG-UHFFFAOYSA-N",403237,NA,"PDBC23507","717896","Present",NA,NA
+"23508","4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC3=NNC(=S)N(C3=O)N)O","DXFSCJHGJMKRMY-VOTSOKGWSA-N",135436158,NA,"PDBC23508","710590","Present",NA,NA
+"23509","4-Amino-6-anilino-1,2-dihydro-2-phenyl-s-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-anilino-1,2-dihydro-2-phenyl-s-triazine",NA,"C1=CC=C(C=C1)C2N=C(NC(=N2)NC3=CC=CC=C3)N","NKJHASFCPTYAIR-UHFFFAOYSA-N",220400,NA,"PDBC23509","3076","Present",NA,NA
+"23510","4-Amino-6-benzylmercapto pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-benzylmercapto pyrazolo[3,4-d]pyrimidine",NA,"C1=CC=C(C=C1)CSC2=NC(=C3C=NNC3=N2)N","BBRITVBMRNJTFL-UHFFFAOYSA-N",406680,NA,"PDBC23510","724945","Present",NA,NA
+"23511","4-Amino-6-benzyloxypyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-benzyloxypyrazolo[3,4-d]pyrimidine",NA,"C1=CC=C(C=C1)COC2=NC(=C3C=NNC3=N2)N","RRGFUPPGEPWJKT-UHFFFAOYSA-N",406693,NA,"PDBC23511","724958","Present",NA,NA
+"23512","4-Amino-6-butylmercaptopyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-butylmercaptopyrazolo[3,4-d]pyrimidine",NA,"CCCCSC1=NC(=C2C=NNC2=N1)N","SNIIDNJBWCCGRA-UHFFFAOYSA-N",406685,NA,"PDBC23512","724950","Present",NA,NA
+"23513","4-Amino-6-ethyl-5-(3-nitro-4-piperidin-1-ylphenyl)-1H-pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-ethyl-5-(3-nitro-4-piperidin-1-ylphenyl)-1H-pyrimidin-2-one",NA,"CCC1=C(C(=NC(=O)N1)N)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]","RNZAXCFXIMBPEO-UHFFFAOYSA-N",341274,NA,"PDBC23513","372956","Present",NA,NA
+"23514","4-Amino-6-ethylmercapto purazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-ethylmercapto purazolo[3,4-d]pyrimidine",NA,"CCSC1=NC(=C2C=NNC2=N1)N","GQFOSQPCFXXWRM-UHFFFAOYSA-N",406689,NA,"PDBC23514","724954","Present",NA,NA
+"23515","4-Amino-6-ethylthio-1-methylpyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-ethylthio-1-methylpyrazolo[3,4-d]pyrimidine",NA,"CCSC1=NC(=C2C=NN(C2=N1)C)N.I","UNNVJZKWFWLRQC-UHFFFAOYSA-N",405580,NA,"PDBC23515","722948","Present",NA,NA
+"23516","4-Amino-6-fluorocinnoline-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-fluoro-3-cinnolinecarboxamide",NA,"C1=CC2=C(C=C1F)C(=C(N=N2)C(=O)N)N","QJXYSXQDQFLLHP-UHFFFAOYSA-N",495815,NA,"PDBC23516","669306","Present",NA,NA
+"23517","4-Amino-6-hydrazinyl-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 4-amino-6-hy...",NA,"C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C#N)N","LYPULEQVVXPJJR-UHFFFAOYSA-N",299517,NA,"PDBC23517","172599","Present",NA,NA
+"23518","4-Amino-6-methoxy-2,4-dimethyl-tetrahydropyran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-methoxy-2,4-dimethyl-tetrahydropyran-3-ol",NA,"CC1C(C(CC(O1)OC)(C)N)O","DXQZAKXNQNBYTD-UHFFFAOYSA-N",384389,NA,"PDBC23518","674112","Present",NA,NA
+"23519","4-Amino-6-methoxy-2-methyl-4-phenyl-tetrahydropyran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-methoxy-2-methyl-4-phenyl-tetrahydropyran-3-ol",NA,"CC1C(C(CC(O1)OC)(C2=CC=CC=C2)N)O","DQNLQXWJZHQNCA-UHFFFAOYSA-N",384391,NA,"PDBC23519","674114","Present",NA,NA
+"23520","4-Amino-6-methoxy-2-methyl-4-propyl-tetrahydropyran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-methoxy-2-methyl-4-propyl-tetrahydropyran-3-ol",NA,"CCCC1(CC(OC(C1O)C)OC)N","ISURZKXDHYVLDF-UHFFFAOYSA-N",384390,NA,"PDBC23520","674113","Present",NA,NA
+"23521","4-Amino-6-methoxy-2-methyloxan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC110345",NA,"CC1C(C(CC(O1)OC)N)O","UIWJWFKPPXKEJV-UHFFFAOYSA-N",269375,NA,"PDBC23521","110345","Present",NA,NA
+"23522","4-Amino-6-methyl-2-(4-morpholinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6-methyl-2-(4-morpholinyl)-5,8-dihydropyrido[2,3-d]pyrimidin-7(6H)-one",NA,"CC1CC2=C(N=C(N=C2NC1=O)N3CCOCC3)N","GMWUTXNNYNMJSR-UHFFFAOYSA-N",362168,NA,"PDBC23522","625746","Present",NA,NA
+"23523","4-Amino-6H-pyrido[2,3,4-kl]acridine-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6H-pyrido[2,3,4-kl]acridine-6-one",NA,"C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)N","PIBOVIRTUIQUCT-UHFFFAOYSA-N",10944751,NA,"PDBC23523","706992","Present",NA,NA
+"23524","4-Amino-7(4'-hydroxy-phenyl)-5-(4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-7(4'-hydroxy-phenyl)-5-(4",NA,"COC1=CC=C(C=C1)C2=CC(=NC3=NC(=S)NC(=C23)N)C4=CC=C(C=C4)O","RELNNYPVGUQPGT-UHFFFAOYSA-N",135580405,NA,"PDBC23524","734135","Present",NA,NA
+"23525","4-Amino-7(4'-methyl-phenyl)-5-(4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-7(4'-methyl-phenyl)-5-(4",NA,"CC1=CC=C(C=C1)C2=NC3=NC(=S)NC(=C3C(=C2)C4=CC=C(C=C4)OC)N","ORZLHNACIXTCOI-UHFFFAOYSA-N",24205062,NA,"PDBC23525","734137","Present",NA,NA
+"23526","4-Amino-7-(2,3-d] pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino - 7 - (2,5- dichloro-phenyl)-5(4'-methoxy phenyl...",NA,"COC1=CC=C(C=C1)C2=CC(=NC3=NC(=S)NC(=C23)N)C4=C(C=CC(=C4)Cl)Cl","KIBQHFWVYQNMJS-UHFFFAOYSA-N",24204728,NA,"PDBC23526","732563","Present",NA,NA
+"23527","4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-N'-hydroxy-5-pyrrolo[2,3-d]pyrimidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7h-pyrrolo[2,3-d]pyrimidine-5-carboxamidoxime, 4-amino-7...",NA,"C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=NO)N","UJSNJRHHJZOXPZ-UHFFFAOYSA-N",5369182,NA,"PDBC23527","107512","Present",NA,NA
+"23528","4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-ethoxypyrrolo[2,3-d]pyrimidine-5-carbonitrile",NA,"CCOC1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N","RLXGZFZDCXKEDV-UHFFFAOYSA-N",324275,NA,"PDBC23528","289117","Present",NA,NA
+"23529","4-Amino-7-chlorocinnoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-54273",NA,"C1=CC2=C(C=C1Cl)N=NC(=C2N)C(=O)O","BADWGFOQGQMHJZ-UHFFFAOYSA-N",381987,NA,"PDBC23529","669311","Present",NA,NA
+"23530","4-Amino-7-fluorocinnoline-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-7-fluoro-3-cinnolinecarboxamide",NA,"C1=CC2=C(C=C1F)N=NC(=C2N)C(=O)N","NAUNPZJPVGALTJ-UHFFFAOYSA-N",381985,NA,"PDBC23530","669307","Present",NA,NA
+"23531","4-Amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide;hydrochloride",NA,"C1=C(C2=C(N=CN=C2N1)N)C(=O)N.Cl","KGIXBIWPBJXGOH-UHFFFAOYSA-N",24191132,NA,"PDBC23531","120050","Present",NA,NA
+"23532","4-Amino-8-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pteridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7(8H)-Pteridinone, 4-amino-8-(2-deoxypentofuranosyl)-",NA,"C1C(C(OC1N2C(=O)C=NC3=C(N=CN=C32)N)CO)O","AEKBIMYNCBVSQT-UHFFFAOYSA-N",387293,NA,"PDBC23532","680987","Present",NA,NA
+"23533","4-Amino-8-chloro-2-(4-chlorophenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-8-chloro-2-(4-chlorophenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile",NA,"C1=CC(=CC=C1N=C2C(=C(N3C4=C(C=C(C=C4)Cl)SC3=N2)N)C#N)Cl","DDGMOAQBVIKFSU-UHFFFAOYSA-N",45029233,NA,"PDBC23533","745678","Present",NA,NA
+"23534","4-Amino-8-chloro-2-(4-methoxyphenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-8-chloro-2-(4-methoxyphenyl)iminopyrimido[2,1-b][1,3]benzothiazole-3-carbonitrile",NA,"COC1=CC=C(C=C1)N=C2C(=C(N3C4=C(C=C(C=C4)Cl)SC3=N2)N)C#N","ZVGIPJJSLKLCQY-UHFFFAOYSA-N",45029232,NA,"PDBC23534","745677","Present",NA,NA
+"23535","4-Amino-8-cyano-6-methyl-7-phenylpyrrolo[2,1-c][1,2,4]triazine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-8-cyano-6-methyl-7-phenylpyrrolo[2,1-c][1,2,4]triazine-3-carboxamide",NA,"CC1=C(C(=C2N1C(=C(N=N2)C(=O)N)N)C#N)C3=CC=CC=C3","XRPXVGISUGHLSX-UHFFFAOYSA-N",403961,NA,"PDBC23535","719732","Present",NA,NA
+"23536","4-Amino-8-fluoro-3-cinnolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-8-fluoro-3-cinnolinecarboxamide",NA,"C1=CC2=C(C(=NN=C2C(=C1)F)C(=O)N)N","VNANNRHUYOTKCV-UHFFFAOYSA-N",381986,NA,"PDBC23536","669309","Present",NA,NA
+"23537","4-Amino-N'-(4-chlorobenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N'-(4-chlorobenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide",NA,"C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NN=CC3=CC=C(C=C3)Cl)N","VFJOXPGYHJYBEL-KEBDBYFISA-N",9571394,NA,"PDBC23537","652026","Present",NA,NA
+"23538","4-Amino-N'-(4-methoxybenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N'-(4-methoxybenzylidene)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide",NA,"COC1=CC=C(C=C1)C=NNC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N","BAXOWMDQYOVWPU-RGVLZGJSSA-N",9571393,NA,"PDBC23538","652025","Present",NA,NA
+"23539","4-Amino-N'-benzylidene-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N'-benzylidene-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazole-5-carbohydrazide",NA,"C1=CC=C(C=C1)C=NNC(=O)C2=C(N(C(=S)S2)C3=CC=CC=C3)N","RYVNVHBCCXWZPT-YBFXNURJSA-N",9571392,NA,"PDBC23539","652024","Present",NA,NA
+"23540","4-Amino-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide",NA,"C1=CC(=CC=C1N)S(=O)(=O)NCC2=NC=CS2","HCOWLDHROCIEDD-UHFFFAOYSA-N",270385,NA,"PDBC23540","112789","Present",NA,NA
+"23541","4-Amino-N-(1-(1H-benzimidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(1-(1H-benzimidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,"C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=CC=C3)[N+](=O)[O-])NC(=O)C4=CC=C(C=C4)N","VVLMOCPBCDHIQY-MOSHPQCFSA-N",5387525,NA,"PDBC23541","624428","Present",NA,NA
+"23542","4-Amino-N-(1-(6-hydroxy-2-mercapto-9H-purin-8-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 4-amino-N-[2-(3-nitrophenyl)-1- (2-thio-6-hyd...",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C2=NC3=C(N2)C(=O)NC(=S)N3)NC(=O)C4=CC=C(C=C4)N","KGOUFUXEYDIKOB-ZROIWOOFSA-N",11979426,NA,"PDBC23542","624420","Present",NA,NA
+"23543","4-Amino-N-(2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(2-(1,3-benzodioxol-5-yl)-1-(1,3-benzothiazol-2-yl)vinyl)benzamide",NA,"C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=C(C=C5)N","SKQMTVAPBZOAHA-WQRHYEAKSA-N",5387532,NA,"PDBC23543","624436","Present",NA,NA
+"23544","4-Amino-N-(2-(1,3-benzodioxol-5-yl)-1-(6,11-dioxo-6,11-dihydro-1H-anthra[1,2-d]imidazol-2-yl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-[(Z)-2-(1,3-benzodioxol-5-yl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)ethenyl]benzamide",NA,"C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=C(N3)C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)NC(=O)C7=CC=C(C=C7)N","SBWPVXKDOABSES-QRVIBDJDSA-N",135429947,NA,"PDBC23544","624417","Present",NA,NA
+"23545","4-Amino-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(2-(3-bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide",NA,"COC1=C(C(=CC(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Br)O","PKBYULAWXQAMBX-UHFFFAOYSA-N",374175,NA,"PDBC23545","651651","Present",NA,NA
+"23546","4-Amino-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(2-(5-bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)benzamide",NA,"C1=CC(=CC=C1C(=O)NN2C(C(C2=O)Cl)C3=C(C=CC(=C3)Br)O)N","VMFGZUZQTNQQCO-UHFFFAOYSA-N",374176,NA,"PDBC23546","651652","Present",NA,NA
+"23547","4-Amino-N-(2-aminoethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(2-aminoethyl)benzenesulfonamide",NA,"C1=CC(=CC=C1N)S(=O)(=O)NCCN","NBFKPKDIBNOBEP-UHFFFAOYSA-N",238037,NA,"PDBC23547","42167","Present",NA,NA
+"23548","4-Amino-N-(3-(1-piperidinyl)-2-quinoxalinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-(1-piperidinyl)-2-quinoxalinyl)benzenesulfonamide",NA,"C1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N","PISYDPWKEWIDJD-UHFFFAOYSA-N",389571,NA,"PDBC23548","685878","Present",NA,NA
+"23549","4-Amino-N-(3-chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)benzamide",NA,"C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Cl","UREJEGPGLHQRMX-UHFFFAOYSA-N",374178,NA,"PDBC23549","651654","Present",NA,NA
+"23550","4-Amino-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"COC1=C(C=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)OC","UVDDRVGAYVQLGT-UHFFFAOYSA-N",374174,NA,"PDBC23550","651650","Present",NA,NA
+"23551","4-Amino-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"C1=CC(=CC=C1C(=O)NN2C(C(C2=O)Cl)C3=C(C(=CC(=C3)Br)Br)O)N","UJYUMVVFXITEMN-UHFFFAOYSA-N",374177,NA,"PDBC23551","651653","Present",NA,NA
+"23552","4-Amino-N-(3-chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl","GQALNQDYFMCIPQ-UHFFFAOYSA-N",374169,NA,"PDBC23552","651644","Present",NA,NA
+"23553","4-Amino-N-(3-chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"C1=CC(=CC(=C1)O)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl","DLROLMYUVONQJA-UHFFFAOYSA-N",374167,NA,"PDBC23553","651642","Present",NA,NA
+"23554","4-Amino-N-(3-chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)benzamide",NA,"C1=CC(=CC=C1C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)[N+](=O)[O-]","DDCJOPUYZCIDQZ-UHFFFAOYSA-N",374170,NA,"PDBC23554","651645","Present",NA,NA
+"23555","4-Amino-N-(3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"COC1=C(C=CC(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)O","XIBPBOMGNOFFTM-UHFFFAOYSA-N",374173,NA,"PDBC23555","651649","Present",NA,NA
+"23556","4-Amino-N-(3-chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"C1=CC(=CC=C1C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)O","OOUGTKSANBNTKO-UHFFFAOYSA-N",374168,NA,"PDBC23556","651643","Present",NA,NA
+"23557","4-Amino-N-(3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-(4-methoxyphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl","ZUEVSQKEARMLSV-UHFFFAOYSA-N",374171,NA,"PDBC23557","651647","Present",NA,NA
+"23558","4-Amino-N-(3-chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-(4-methylphenyl)-4-oxo-1-azetidinyl)benzamide",NA,"CC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl","YNXDEKKYOCGUHL-UHFFFAOYSA-N",374172,NA,"PDBC23558","651648","Present",NA,NA
+"23559","4-Amino-N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)benzamide",NA,"C1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl","XMGMSRWEFFJJLL-UHFFFAOYSA-N",374165,NA,"PDBC23559","651640","Present",NA,NA
+"23560","4-Amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,5-Oxadiazole-3-carboximidamide, 4-amino-N'-(3-chloro...",NA,"C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Cl)F","HGXSLPIXNPASGZ-UHFFFAOYSA-N",135424953,NA,"PDBC23560","785571","Present",NA,NA
+"23561","4-Amino-N-(4-(2-furyl)-1-(6-hydroxy-2-mercapto-9H-purin-8-yl)-1,3-butadienyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(4-(2-furyl)-1-(6-hydroxy-2-mercapto-9H-purin-8-yl)-1,3-butadienyl)benzamide",NA,"C1=COC(=C1)C=CC=C(C2=NC3=C(N2)C(=O)NC(=S)N3)NC(=O)C4=CC=C(C=C4)N","SVCRUGRZWNDZEA-NQDFZQDQSA-N",5387531,NA,"PDBC23561","624435","Present",NA,NA
+"23562","4-Amino-N-(4-methyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(4-methyl-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-11-yl)benzenesulfonamide",NA,"CC1=NN2C3=C(C=NC2=C1)C(=O)N(C=C3)NS(=O)(=O)C4=CC=C(C=C4)N","WHUMCVMRUKVWCB-UHFFFAOYSA-N",394669,NA,"PDBC23562","698271","Present",NA,NA
+"23563","4-Amino-N-(4-tert-butylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfanilanilide, 4'-tert-butyl-",NA,"CC(C)(C)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N","QBRHVORBTKVOQZ-UHFFFAOYSA-N",222114,NA,"PDBC23563","7436","Present",NA,NA
+"23564","4-Amino-N-(pyridin-4-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL245041",NA,"C1=CN=CC=C1NC(=O)CCCN","IDEFTWXZLWVDQB-UHFFFAOYSA-N",10443277,NA,"PDBC23564","737703","Present",NA,NA
+"23565","4-Amino-N-[(1,2-diethylpyrazolidin-3-yl)methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-[(1,2-diethylpyrazolidin-3-yl)methyl]benzamide",NA,"CCN1CCC(N1CC)CNC(=O)C2=CC=C(C=C2)N","BRJCJAHDMGYUCT-UHFFFAOYSA-N",389009,NA,"PDBC23565","684447","Present",NA,NA
+"23566","4-Amino-N-[(3R)-3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-[(3R)-3-chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]benzamide",NA,"C1=CC(=CC=C1C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Cl","YKDWSLZKAPVLDU-KWCCSABGSA-N",405724,NA,"PDBC23566","723266","Present",NA,NA
+"23567","4-Amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide",NA,"CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)N","JAQRIPUFGAWHIU-KRWDZBQOSA-N",391374,NA,"PDBC23567","690431","Present",NA,NA
+"23568","4-Amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide;hydrochloride",NA,"CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)N.Cl","ARPJMOGZCIRPAX-LMOVPXPDSA-N",391583,NA,"PDBC23568","691038","Present",NA,NA
+"23569","4-Amino-N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-[(E)-1-(1-benzofuran-2-yl)ethylideneamino]-3-methyl-2-sulfanylidene-1,3-thiazole-5-carboxamide",NA,"CC(=NNC(=O)C1=C(N(C(=S)S1)C)N)C2=CC3=CC=CC=C3O2","AQSZUMCWAYOGAN-CAOOACKPSA-N",45028456,NA,"PDBC23569","742900","Present",NA,NA
+"23570","4-Amino-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-propyl-2-sulfanylidene-1,3-thiazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-[(Z)-1-(7-methoxy-1-benzofuran-2-yl)ethylideneamino]-3-propyl-2-sulfanylidene-1,3-thiazole-5-carboxamide",NA,"CCCN1C(=C(SC1=S)C(=O)NN=C(C)C2=CC3=C(O2)C(=CC=C3)OC)N","WLBLORPICZSZOI-JMIUGGIZSA-N",45028462,NA,"PDBC23570","742906","Present",NA,NA
+"23571","4-Amino-N-[2-(dimethylamino)ethyl]benzene-1-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(N',N'-Dimethylamino)ethyl]4-aminobenzenesulfonamide",NA,"CN(C)CCNS(=O)(=O)C1=CC=C(C=C1)N","HERALKCUSVEQOM-UHFFFAOYSA-N",203438,NA,"PDBC23571","688990","Present",NA,NA
+"23572","4-Amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-[3-(azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide",NA,"C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N","QXSSXKUBUFTBPN-UHFFFAOYSA-N",389572,NA,"PDBC23572","685879","Present",NA,NA
+"23573","4-Amino-N-[4,5-dichloro-2-[2-[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-2-oxoethyl]phenyl]butanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-[4,5-dichloro-2-[2-[methyl-[(1S,2S)-2-pyrrolidin-1-ylcyclohexyl]amino]-2-oxoethyl]phenyl]butanamide;hydrochloride",NA,"CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3NC(=O)CCCN)Cl)Cl.Cl","IVCWMBMLXCGEDQ-GUTACTQSSA-N",54611532,NA,"PDBC23573","707452","Present",NA,NA
+"23574","4-Amino-N-hydroxy-7-pentofuranosyl-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrrolo[2,3-d]pyrimidine-5-carbohydroximic acid, 4-am...",NA,"C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)NO.Cl","YZCAFRFEHKZTQT-UHFFFAOYSA-N",54603433,NA,"PDBC23574","116282","Present",NA,NA
+"23575","4-Amino-n-(3-methylquinoxalin-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3-methylquinoxalin-2-yl)benzenesulfonamide",NA,"CC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=C(C=C3)N","FSJDVWOGYWNVEU-UHFFFAOYSA-N",224574,NA,"PDBC23575","13156","Present",NA,NA
+"23576","4-Aminoazobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"induline r",NA,"C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N","QPQKUYVSJWQSDY-UHFFFAOYSA-N",6051,NA,"PDBC23576","2032","Present",NA,NA
+"23577","4-Aminobenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"paba",NA,"C1=CC(=CC=C1C(=O)O)N","ALYNCZNDIQEVRV-UHFFFAOYSA-N",978,NA,"PDBC23577","7627","Present",NA,NA
+"23578","4-Aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Aminobenzoic acid; 7H-purine-2,6-diamine; sulfuric acid",NA,"C1=CC(=CC=C1C(=O)O)N.C1=NC2=NC(=NC(=C2N1)N)N.OS(=O)(=O)O","UORYDOUKEGCWSE-UHFFFAOYSA-N",3246385,NA,"PDBC23578","109188","Present",NA,NA
+"23579","4-Aminocinnoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE42197",NA,"C1=CC=C2C(=C1)C(=C(N=N2)C#N)N","KHULBBOZCOBYHE-UHFFFAOYSA-N",395917,NA,"PDBC23579","701012","Present",NA,NA
+"23580","4-Aminonaphthalene-2,6-disulphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Naphthylamine-3,7-disulfonic acid",NA,"C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)N)S(=O)(=O)O","XGQWHHCZIMXNHG-UHFFFAOYSA-N",80709,NA,"PDBC23580","37049","Present",NA,NA
+"23581","4-Aminopteroylaspartic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminoanfol",NA,"C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N","ODLOSKQDGGOAJH-UHFFFAOYSA-N",46855,NA,"PDBC23581","98535","Present",NA,NA
+"23582","4-Aminosulphonyl-1-hydroxy-2-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenecarboxylic acid, 4-(aminosulfonyl)-1-hydrox...",NA,"C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)S(=O)(=O)N","OTDVKOVLSPJORY-UHFFFAOYSA-N",97423,NA,"PDBC23582","122281","Present",NA,NA
+"23583","4-Aminotricyclo[4.3.0.03,7]nonan-2-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666424",NA,"C1CC2C3C1C(C2=O)C(C3)N.Cl","KVRITZREICXUDN-UHFFFAOYSA-N",380717,NA,"PDBC23583","666424","Present",NA,NA
+"23584","4-Aminoxanthotoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Aminoxanthotoxin",NA,"COC1=C2C(=C(C3=C1OC=C3)N)C=CC(=O)O2","MONZOXMQHOAEQD-UHFFFAOYSA-N",344253,NA,"PDBC23584","401057","Present",NA,NA
+"23585","4-Androsteno[3,17-beta-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Androsteno[3,2-c]-isoxazole-4,17-.beta.-diol",NA,"CC12CCC3C(C1CCC2O)CCC4=C(C5=NOC=C5CC34C)O","YOGRZKPYNPSDSH-SSPHLBEYSA-N",364574,NA,"PDBC23585","631061","Present",NA,NA
+"23586","4-Anilino-1-benzyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Anilino-1-benzyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,"C1=CC=C(C=C1)CN2C3=C(C(=NNC3=O)NC4=CC=CC=C4)N=N2","NALZIEJKBSGTGH-UHFFFAOYSA-N",386994,NA,"PDBC23586","680304","Present",NA,NA
+"23587","4-Anilino-1-cyclohexyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Anilino-1-cyclohexyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-7-ol",NA,"C1CCC(CC1)N2C3=C(C(=NNC3=O)NC4=CC=CC=C4)N=N2","HRLZIHDDSMLPGE-UHFFFAOYSA-N",386618,NA,"PDBC23587","679072","Present",NA,NA
+"23588","4-Anilino-1-phenyl-5-(phenylimino)-1,5-dihydro-2H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Anilino-1-phenyl-5-(phenylimino)-1,5-dihydro-2H-imidazol-2-one",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)N(C(=O)N2)C4=CC=CC=C4","GVOSDWFMUICKEL-UHFFFAOYSA-N",135409233,NA,"PDBC23588","671376","Present",NA,NA
+"23589","4-Anilino-2,2-dimethyl-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Anilino-2,2-dimethyl-4-oxobutanoic acid",NA,"CC(C)(CC(=O)NC1=CC=CC=C1)C(=O)O","HEOAVFYVUJGKOR-UHFFFAOYSA-N",264241,NA,"PDBC23589","99241","Present",NA,NA
+"23590","4-Anilino-2,3-dichloro-4-oxo-2-butenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-anilino-2,3-dichloro-4-oxo-but-2-enoic acid",NA,"C1=CC=C(C=C1)NC(=O)C(=C(C(=O)O)Cl)Cl","BPYURHRYYZFMLE-BQYQJAHWSA-N",3005842,NA,"PDBC23590","622339","Present",NA,NA
+"23591","4-Anilino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Anilino-3-[(4-chlorophenyl)methyl]-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)NN2C(=NNC2=O)CC3=CC=C(C=C3)Cl","ONRSBKQVLSNETP-UHFFFAOYSA-N",390055,NA,"PDBC23591","686969","Present",NA,NA
+"23592","4-Anilino-3-benzyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Anilino-3-benzyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2NC3=CC=CC=C3","KAXFASGJWJRXDX-UHFFFAOYSA-N",384784,NA,"PDBC23592","675219","Present",NA,NA
+"23593","4-Anilino-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Anilino-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1NC2=CC=CC=C2","UKYSDDJUIYHEHO-UHFFFAOYSA-N",384783,NA,"PDBC23593","675218","Present",NA,NA
+"23594","4-Anilino-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Anilino-3-phenyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2NC3=CC=CC=C3","YYVYJIBWMYCEGR-UHFFFAOYSA-N",385485,NA,"PDBC23594","676721","Present",NA,NA
+"23595","4-Anilino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Anilino-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine-2-thiol",NA,"C1CCC2=C(C1)C3=C(NC(=S)N=C3S2)NC4=CC=CC=C4","MLNPIHYNSDGMNI-UHFFFAOYSA-N",2816491,NA,"PDBC23595","679231","Present",NA,NA
+"23596","4-Anilino-5-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Anilino-5-(4-methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,"CC1=CC=C(C=C1)CC2=NNC(=O)N2NC3=CC=CC=C3","SBHMHYMACDFEQI-UHFFFAOYSA-N",387263,NA,"PDBC23596","680860","Present",NA,NA
+"23597","4-Anilino-6-(4-fluorophenyl)-2-(2-methylpropylsulfanyl)pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-fluorophenyl)-2-(isobutylthio)-6-(phenylamino)pyrim...",NA,"CC(C)CSC1=NC(=C(C(=N1)NC2=CC=CC=C2)C#N)C3=CC=C(C=C3)F","OZQOWYFPJWCCQP-UHFFFAOYSA-N",155807276,NA,"PDBC23597","795754","Present",NA,NA
+"23598","4-Aryl-6-Methyl-2-thioxo-1,3,4-tetrahydro-pyrimidine-5-car boxylic acid (3,4-dichloro-phenyl)-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Aryl-6-Methyl-2-thioxo-1,2,3,4-tetrahydro-pyrimidine-5...",NA,"CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC)C(=O)NC3=CC(=C(C=C3)Cl)Cl","JBWUQPZVHSZQCI-UHFFFAOYSA-N",24203839,NA,"PDBC23598","729775","Present",NA,NA
+"23599","4-Arylmaleimide deriv. 6-g",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-390523",NA,"C1=CC=C(C(=C1)C2=C(C(=O)NC2=O)NC3=CC(=C(C(=C3)Cl)O)Cl)Cl","LLELAEGDEATZFN-UHFFFAOYSA-N",6539482,NA,"PDBC23599","756447","Present",NA,NA
+"23600","4-Arylmaleimide deriv. 6-l",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-358518",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=C(C(=O)NC2=O)NC3=CC(=C(C(=C3)Cl)O)Cl","QOJSERWVVHZZPL-UHFFFAOYSA-N",6539487,NA,"PDBC23600","756443","Present",NA,NA
+"23601","4-Arylmaleimide deriv. 6c",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-376719",NA,"COC1=CC=CC=C1C2=C(C(=O)NC2=O)NC3=CC=CC=C3","XCYIIVRZXLZJER-UHFFFAOYSA-N",6539453,NA,"PDBC23601","756446","Present",NA,NA
+"23602","4-Arylmaleimide deriv. 6cc",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-360741",NA,"C1=CC(=CC=C1C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)Cl)C(=O)O)Cl","ACBZAFIQJQQSBY-UHFFFAOYSA-N",6539502,NA,"PDBC23602","756444","Present",NA,NA
+"23603","4-Arylmaleimide deriv. 6p",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-390527",NA,"C1=CC=C(C(=C1)C2=C(C(=O)NC2=O)NC3=CC(=CC=C3)O)Cl","RSOMSYHDLLNJGQ-UHFFFAOYSA-N",6539466,NA,"PDBC23603","756448","Present",NA,NA
+"23604","4-Arylmaleimide deriv. 8f",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-333612",NA,"C1CN(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=C(C=C4)Cl","LSXUOGJVNXPHBN-UHFFFAOYSA-N",6539521,NA,"PDBC23604","756441","Present",NA,NA
+"23605","4-Arylmaleimide deriv. 8g",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-361058",NA,"COC1=CC=C(C=C1)C2=C(C(=O)NC2=O)N3CCC4=CC=CC=C43","OXYHNOHLBLUYKQ-UHFFFAOYSA-N",6539522,NA,"PDBC23605","756445","Present",NA,NA
+"23606","4-Aza-2'-phenyl-5alpha-cholestano[3,2-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Aza-2'-phenyl-5.alpha.-cholestano[3,2-c]pyrazole",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)C","NVMSFEPHYDXOFV-IYSHXCQISA-N",363170,NA,"PDBC23606","627771","Present",NA,NA
+"23607","4-Aza-5alpha-androstano[3,2-c]pyrazol-17. beta.-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Aza-5.alpha.-androstano[3,2-c]pyrazol-17. beta.-yl ace...",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC5=C(N4)NN=C5)C)C","TXIDYABROZTEFW-AXYCQOOYSA-N",363166,NA,"PDBC23607","627767","Present",NA,NA
+"23608","4-Aza-5alpha-cholestano[3,2-c]isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Aza-5.alpha.-cholestano[3,2-c]isoxazole",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=CON=C5N4)C)C","CDSNJPKIZZSWGQ-NMGUKKPCSA-N",363168,NA,"PDBC23608","627769","Present",NA,NA
+"23609","4-Azaandrost-5-en-3-one, 4-[2-(dimethylamino)ethyl]-17beta-hydroxy-17-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Azaandrost-5-en-3-one, 4-[2-(dimethylamino)ethyl]-17.b...",NA,"CC12CCC(=O)N(C1=CCC3C2CCC4(C3CCC4(C)O)C)CCN(C)C","TZYDTPVLMWSHME-DFXBJWIESA-N",54599789,NA,"PDBC23609","46480","Present",NA,NA
+"23610","4-Azido-1,3-diphenyl-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diphenyl-4-(2.lambda.~5~-1,2-triazadienyl)-2(1H)-quinolinone",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)N=[N+]=[N-]","KFBKFCAONHQYNA-UHFFFAOYSA-N",375214,NA,"PDBC23610","654612","Present",NA,NA
+"23611","4-Azido-1-methyl-3-nitroquinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Azido-3-nitro-1-methyl-2-quinolone",NA,"CN1C2=CC=CC=C2C(=C(C1=O)[N+](=O)[O-])N=[N+]=[N-]","PVHDZPYQHVOXSW-UHFFFAOYSA-N",387473,NA,"PDBC23611","681277","Present",NA,NA
+"23612","4-Azido-1-methyl-3-phenyl-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Azido-1-methyl-3-phenyl-quinolin-2-one",NA,"CN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)N=[N+]=[N-]","JKFJGUPJMUMLGW-UHFFFAOYSA-N",376992,NA,"PDBC23612","658213","Present",NA,NA
+"23613","4-Azido-1-phenyl-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-4-(2.lambda.~5~-1,2-triazadienyl)-2(1H)-quinolinone",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C(=CC2=O)N=[N+]=[N-]","AIGIJCLAAKANBN-UHFFFAOYSA-N",375226,NA,"PDBC23613","654619","Present",NA,NA
+"23614","4-Azido-1H-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Azido-2-quinolone",NA,"C1=CC=C2C(=C1)C(=CC(=O)N2)N=[N+]=[N-]","BYZRVFGVANYGRC-UHFFFAOYSA-N",2785819,NA,"PDBC23614","681261","Present",NA,NA
+"23615","4-Azido-2,3-dichloro-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-2,3-dichloro-quinoline",NA,"C1=CC=C2C(=C1)C(=C(C(=N2)Cl)Cl)N=[N+]=[N-]","HZQCTYWBJSFHSM-UHFFFAOYSA-N",381917,NA,"PDBC23615","669169","Present",NA,NA
+"23616","4-Azido-2-chloro-3-cyanoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-2-chloro-3-cyanoquinoline",NA,"C1=CC=C2C(=C1)C(=C(C(=N2)Cl)C#N)N=[N+]=[N-]","UKMDXJYEEGIRAQ-UHFFFAOYSA-N",381915,NA,"PDBC23616","669167","Present",NA,NA
+"23617","4-Azido-2-chloro-3-ethoxycarbonyl-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-2-chloro-3-ethoxycarbonyl-quinoline",NA,"CCOC(=O)C1=C(C2=CC=CC=C2N=C1Cl)N=[N+]=[N-]","OTSLPRIBVVIXTM-UHFFFAOYSA-N",381909,NA,"PDBC23617","669164","Present",NA,NA
+"23618","4-Azido-2-chloro-3-methoxy-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-2-chloro-3-methoxy-quinoline",NA,"COC1=C(C2=CC=CC=C2N=C1Cl)N=[N+]=[N-]","CDBXPLLXFNTSTN-UHFFFAOYSA-N",381898,NA,"PDBC23618","669156","Present",NA,NA
+"23619","4-Azido-2-chloro-3-morpholino-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-2-chloro-3-morpholino-quinoline",NA,"C1COCCN1C2=C(C3=CC=CC=C3N=C2Cl)N=[N+]=[N-]","FQPHMWRMTQEVKI-UHFFFAOYSA-N",381907,NA,"PDBC23619","669162","Present",NA,NA
+"23620","4-Azido-2-chloro-3-nitro-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-2-chloro-3-nitro-quinoline",NA,"C1=CC=C2C(=C1)C(=C(C(=N2)Cl)[N+](=O)[O-])N=[N+]=[N-]","JISYBWRSFMWCAG-UHFFFAOYSA-N",381894,NA,"PDBC23620","669154","Present",NA,NA
+"23621","4-Azido-2-chloro-3-phenyl-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-2-chloro-3-phenyl-quinoline",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N=C2Cl)N=[N+]=[N-]","HYVQFVOAQXURAR-UHFFFAOYSA-N",381908,NA,"PDBC23621","669163","Present",NA,NA
+"23622","4-Azido-3-[(4-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxymethyl]-5-methoxy-tetrahydrofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Azido-3-[(4-chlorophenyl)methoxy]-2-[(4-chlorophenyl)methoxymethyl]-5-methoxy-tetrahydrofuran",NA,"COC1C(C(C(O1)COCC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)Cl)N=[N+]=[N-]","NBKQFQWEPBVLEY-UHFFFAOYSA-N",362354,NA,"PDBC23622","626099","Present",NA,NA
+"23623","4-Azido-3-benzyl-2-chloro-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-3-benzyl-2-chloro-quinoline",NA,"C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3N=C2Cl)N=[N+]=[N-]","VYRPSBGXRZRSBM-UHFFFAOYSA-N",381916,NA,"PDBC23623","669168","Present",NA,NA
+"23624","4-Azido-3-benzyl-coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-3-benzyl-coumarin",NA,"C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3OC2=O)N=[N+]=[N-]","JWAAQFVXTPWWFH-UHFFFAOYSA-N",381886,NA,"PDBC23624","669149","Present",NA,NA
+"23625","4-Azido-3-chloro-1-methyl-2-quinolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-3-chloro-1-methyl-2-quinolone",NA,"CN1C2=CC=CC=C2C(=C(C1=O)Cl)N=[N+]=[N-]","PAUOMYBFQQFFBE-UHFFFAOYSA-N",381911,NA,"PDBC23625","669165","Present",NA,NA
+"23626","4-Azido-3-chloro-1-phenyl-2-quinolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-3-chloro-1-phenyl-2-quinolone",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)Cl)N=[N+]=[N-]","XTALKEXQASMPFN-UHFFFAOYSA-N",381896,NA,"PDBC23626","669155","Present",NA,NA
+"23627","4-Azido-3-ethyl-coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Azido-3-ethyl-coumarin",NA,"CCC1=C(C2=CC=CC=C2OC1=O)N=[N+]=[N-]","GZMOATUAOVPJLS-UHFFFAOYSA-N",375216,NA,"PDBC23627","654613","Present",NA,NA
+"23628","4-Azido-3-formyl-1-phenyl-2-quinolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-3-formyl-1-phenyl-2-quinolone",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)C=O)N=[N+]=[N-]","PIFHHBVAVREDMY-UHFFFAOYSA-N",381889,NA,"PDBC23628","669151","Present",NA,NA
+"23629","4-Azido-3-nitro-1-phenyl-2-quinolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-3-nitro-1-phenyl-2-quinolone",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)[N+](=O)[O-])N=[N+]=[N-]","IBNOMQPZAKBNKT-UHFFFAOYSA-N",381913,NA,"PDBC23629","669166","Present",NA,NA
+"23630","4-Azido-3-phenalenon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-azido-3-phenalenon",NA,"C1=CC2=C3C(=C1)C(=CC(=O)C3=CC=C2)N=[N+]=[N-]","GCALUBHITRLFIK-UHFFFAOYSA-N",381899,NA,"PDBC23630","669157","Present",NA,NA
+"23631","4-Azido-3-phenyl-1H-pyridazin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Azido-6-phenyl-pyridazin-3-ol",NA,"C1=CC=C(C=C1)C2=NNC(=O)C=C2N=[N+]=[N-]","HWONMIYXBJCHTI-UHFFFAOYSA-N",2784946,NA,"PDBC23631","654614","Present",NA,NA
+"23632","4-Azido-7-methoxy-3-phenyl-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Azido-7-methoxy-3-phenyl-chromen-2-one",NA,"COC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=CC=C3)N=[N+]=[N-]","QTLPLKUPSSJBOB-UHFFFAOYSA-N",376994,NA,"PDBC23632","658214","Present",NA,NA
+"23633","4-Azido-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Azido-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,"COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=C(C=C4)N=[N+]=[N-]","QEONJRFORSTWFH-UHFFFAOYSA-N",3003994,NA,"PDBC23633","618049","Present",NA,NA
+"23634","4-Azido-N-(4-methylpyrimidin-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC84464",NA,"CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=[N+]=[N-]","GTXMBVUMAJNIER-UHFFFAOYSA-N",3246305,NA,"PDBC23634","84464","Present",NA,NA
+"23635","4-Azidocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Azidocoumarin",NA,"C1=CC=C2C(=C1)C(=CC(=O)O2)N=[N+]=[N-]","IUICMSYHSPWQPN-UHFFFAOYSA-N",375228,NA,"PDBC23635","654620","Present",NA,NA
+"23636","4-Azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Azidopentacyclo[7.3.1.14,12.02,7.06,11]tetradecane",NA,"C1C2CC3C4C1C5CC(C4)(CC3C5C2)N=[N+]=[N-]","WGSWUQPIDSQYLO-UHFFFAOYSA-N",357109,NA,"PDBC23636","614994","Present",NA,NA
+"23637","4-Benzhydryl-2-(2-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzhydryl-2-(2-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine",NA,"C1C(SC2=CC=CC=C2N=C1C(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5F","DTDNGKVZYFPYFW-UHFFFAOYSA-N",364772,NA,"PDBC23637","631531","Present",NA,NA
+"23638","4-Benzo[1,3]dioxol-5-ylmethylene-2-methyl-4H-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzo[1,3]dioxol-5-ylmethylene-2-methyl-4H-oxazol-5-one",NA,"CC1=NC(=CC2=CC3=C(C=C2)OCO3)C(=O)O1","YIPBMFCRAFHCPQ-RUDMXATFSA-N",5387542,NA,"PDBC23638","624448","Present",NA,NA
+"23639","4-Benzothiazol-2-yl-2-ethynyl-phenylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzothiazol-2-yl-2-ethynyl-phenylamine",NA,"C#CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)N","FCDISKKDKAGWLW-UHFFFAOYSA-N",405007,NA,"PDBC23639","721662","Present",NA,NA
+"23640","4-Benzoyl-1-(2-methylphenyl)-1H-pyrazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767296",NA,"CC1=CC=CC=C1N2C(=C(C=N2)C(=O)C3=CC=CC=C3)N","WYGCUSHOHRVKKS-UHFFFAOYSA-N",11716060,NA,"PDBC23640","767296","Present",NA,NA
+"23641","4-Benzoyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-phenylpyrrolidine-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(3,4-Dimethoxyphenyl)ethyl]-5-phenyl-4-(phenylcarbonyl)pyrrolidine-2,3-dione",NA,"COC1=C(C=C(C=C1)CCN2C(C(C(=O)C2=O)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)OC","HOISEOWKLJCISD-UHFFFAOYSA-N",400267,NA,"PDBC23641","711800","Present",NA,NA
+"23642","4-Benzoyl-1-phenyl-1H-pyrazole-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767294",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=CC=C3)C#N","WGZYVHFXLPDNDL-UHFFFAOYSA-N",11630444,NA,"PDBC23642","767294","Present",NA,NA
+"23643","4-Benzoyl-2,2,6,6-tetramethyl-3,5-heptanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzoyl-2,2,6,6-tetramethyl-3,5-heptanedione",NA,"CC(C)(C)C(=O)C(C(=O)C1=CC=CC=C1)C(=O)C(C)(C)C","BIGHCYYZNLJIEB-UHFFFAOYSA-N",389083,NA,"PDBC23643","684733","Present",NA,NA
+"23644","4-Benzoyl-2-dibenzoylmethylene-5-phenyl-2,3-dihydrofuran-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-Oxo-5-phenyl-4-(phenylcarbonyl)furan-2(3h)-ylidene]-1,3-diphenylpropane-1,3-dione",NA,"C1=CC=C(C=C1)C2=C(C(=O)C(=C(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O2)C(=O)C5=CC=CC=C5","PADQDXIIGINEFI-UHFFFAOYSA-N",404266,NA,"PDBC23644","720444","Present",NA,NA
+"23645","4-Benzoyl-2-methyl-1(2H)-isoquinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzoyl-2-methyl-1(2H)-isoquinolinone",NA,"CN1C=C(C2=CC=CC=C2C1=O)C(=O)C3=CC=CC=C3","INMHDEVGSSEIAL-UHFFFAOYSA-N",370868,NA,"PDBC23645","644601","Present",NA,NA
+"23646","4-Benzoyl-3H-benzo[f]quinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzoyl-1,2-dihydrobenzo[f]quinaldonitrile",NA,"C1=CC=C(C=C1)C(=O)N2C(C=CC3=C2C=CC4=CC=CC=C43)C#N","YLUZVASKHQAJAO-UHFFFAOYSA-N",262649,NA,"PDBC23646","96541","Present",NA,NA
+"23647","4-Benzoyl-6,7-diphenyl-1H-azepine-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzoyl-6,7-diphenyl-1H-azepine-2,3-dione",NA,"C1=CC=C(C=C1)C2=C(NC(=O)C(=O)C(=C2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4","VUYBPQSUXPTOPI-UHFFFAOYSA-N",402838,NA,"PDBC23647","717091","Present",NA,NA
+"23648","4-Benzoylbenzoic acid 4-[bis(2-oxo-4-hydroxy-2H-1-benzopyran-3-yl)methyl]phenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[Bis(2-hydroxy-4-oxo-chromen-3-yl)methyl]phenyl] 4-benzoylbenzoate",NA,"C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(C4=C(C5=CC=CC=C5OC4=O)O)C6=C(C7=CC=CC=C7OC6=O)O","ABOHXYMGRDFBMF-UHFFFAOYSA-N",54722111,NA,"PDBC23648","689413","Present",NA,NA
+"23649","4-Benzoylisophthalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzoylisophthalic acid",NA,"C1=CC=C(C=C1)C(=O)C2=C(C=C(C=C2)C(=O)O)C(=O)O","IPRJQOGCIFOIBA-UHFFFAOYSA-N",255798,NA,"PDBC23649","81620","Present",NA,NA
+"23650","4-Benzyl 2-ethyl 5-((((3-((benzyloxy)carbonyl)-5-(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl)methyl)(methyl)amino)methyl)-3-methyl-1H-pyrrole-2,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-O-Benzyl 2-O-ethyl 5-[[(5-ethoxycarbonyl-4-methyl-3-phenylmethoxycarbonyl-1H-pyrrol-2-yl)methyl-methylamino]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate",NA,"CCOC(=O)C1=C(C(=C(N1)CN(C)CC2=C(C(=C(N2)C(=O)OCC)C)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C","PFVWLKLJNMAXMJ-UHFFFAOYSA-N",369904,NA,"PDBC23650","642195","Present",NA,NA
+"23651","4-Benzyl-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-benzylurazole",NA,"C1=CC=C(C=C1)CN2C(=O)NNC2=O","AHSGRQNZXBIREA-UHFFFAOYSA-N",392331,NA,"PDBC23651","692607","Present",NA,NA
+"23652","4-Benzyl-1-(2-(1H-indol-3-yl)ethyl)-5-oxo-4,5-dihydro-1H-imidazol-2-ylcyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-1-(2-(1H-indol-3-yl)ethyl)-5-oxo-4,5-dihydro-1H-imidazol-2-ylcyanamide",NA,"C1=CC=C(C=C1)CC2C(=O)N(C(=N2)NC#N)CCC3=CNC4=CC=CC=C43","SKLZGBVAIJHAMU-UHFFFAOYSA-N",375243,NA,"PDBC23652","654632","Present",NA,NA
+"23653","4-Benzyl-1-[2-(dimethylamino)ethyl]piperidine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pimetine, dihydrochloride",NA,"CN(C)CCN1CCC(CC1)CC2=CC=CC=C2.Cl","FWOXSJRWBDTDBQ-UHFFFAOYSA-N",24201867,NA,"PDBC23653","528880","Present",NA,NA
+"23654","4-Benzyl-1-morpholino-bicyclo[2.2.2]octan-3-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-bishydroxyimino-4-(4-morpholinyl)-1-phenylmethyl bicyc...",NA,"C1CC2(CCC1(CC2=NO)N3CCOCC3)CC4=CC=CC=C4","ZYOIQHOYFRTVNC-LVZFUZTISA-N",5831070,NA,"PDBC23654","666707","Present",NA,NA
+"23655","4-Benzyl-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC23655","658196","Present",NA,NA
+"23656","4-Benzyl-2,2,6,6-tetramethylheptane-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-2,2,6,6-tetramethylheptane-3,5-dione",NA,"CC(C)(C)C(=O)C(CC1=CC=CC=C1)C(=O)C(C)(C)C","IAHANHRTTIVESK-UHFFFAOYSA-N",389081,NA,"PDBC23656","684731","Present",NA,NA
+"23657","4-Benzyl-2,2-dibutyl-1,3,2-dioxastannolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-2,2-dibutyl-1,3,2-dioxastannolane",NA,"CCCC[Sn]1(OCC(O1)CC2=CC=CC=C2)CCCC","ABHXUASUHISUOV-UHFFFAOYSA-N",16683174,NA,"PDBC23657","633509","Present",NA,NA
+"23658","4-Benzyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-2-(2-thienyl)-4,5-dihydro-1,3-oxazole",NA,"C1C(N=C(O1)C2=CC=CS2)CC3=CC=CC=C3","QKICIDWWVZZURL-UHFFFAOYSA-N",382426,NA,"PDBC23658","669992","Present",NA,NA
+"23659","4-Benzyl-2-(4-chlorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-2-(4-chlorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol",NA,"C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C4=NN(C(=C42)[O-])C5=CC=C(C=C5)Cl","OJYYOWALIBFIND-UHFFFAOYSA-N",365938,NA,"PDBC23659","634082","Present",NA,NA
+"23660","4-Benzyl-2-(4-fluorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-2-(4-fluorophenyl)pyrazolo[4,3-c]isoquinolin-4-ium-3-ol",NA,"C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C4=NN(C(=C42)[O-])C5=CC=C(C=C5)F","UHXUOEXHCXWAEN-UHFFFAOYSA-N",375738,NA,"PDBC23660","655762","Present",NA,NA
+"23661","4-Benzyl-2-methyl-2-[4-(trifluoromethyl)phenyl]-1-oxa-3-aza-2-boranuidacyclopentan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-2-methyl-2-[4-(trifluoromethyl)phenyl]-1-oxa-3-aza-2-boranuidacyclopentan-5-one",NA,NA,NA,NA,NA,"PDBC23661","656980","Present",NA,NA
+"23662","4-Benzyl-2-phenyl-pyrazolo[4,3-c]isoquinolin-4-ium-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-2-phenyl-pyrazolo[4,3-c]isoquinolin-4-ium-3-ol",NA,"C1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C4=NN(C(=C42)[O-])C5=CC=CC=C5","BQGBYYQHEBTTPK-UHFFFAOYSA-N",363107,NA,"PDBC23662","627677","Present",NA,NA
+"23663","4-Benzyl-3,4,6-triphenyl-1H-1,3,5-triazine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-3,4,6-triphenyl-1H-1,3,5-triazine-2-thione",NA,"C1=CC=C(C=C1)CC2(N=C(NC(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","PTQPGUKBBSDHDW-UHFFFAOYSA-N",3004087,NA,"PDBC23663","627017","Present",NA,NA
+"23664","4-Benzyl-3-cinnolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-3-cinnolinol",NA,"C1=CC=C(C=C1)CC2=C3C=CC=CC3=NNC2=O","HVTYMRBGEVMDRL-UHFFFAOYSA-N",368588,NA,"PDBC23664","639684","Present",NA,NA
+"23665","4-Benzyl-7-iodo-1,2-dihydroimidazo[1,2-a]quinazolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzyl-7-iodo-2,4-dihydroimidazo[1,2-a]quinazolin-5(1h)-one",NA,"C1CN2C3=C(C=C(C=C3)I)C(=O)N(C2=N1)CC4=CC=CC=C4","CKRQYEUUIVEWOC-UHFFFAOYSA-N",402044,NA,"PDBC23665","715739","Present",NA,NA
+"23666","4-Benzylamino-1-(2-hydroxyethoxy)methyl-6-methylthio-1H-pyrazolo[3,4:d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzylamino-1-(2-hydroxyethoxy)methyl-6-methylthio-1H-...",NA,"CSC1=NC(=C2C=NN(C2=N1)COCCO)NCC3=CC=CC=C3","OKHZIBFFQPAPMQ-UHFFFAOYSA-N",403619,NA,"PDBC23666","718675","Present",NA,NA
+"23667","4-Benzylidene-1,7-di(piperidin-1-yl)heptane-3,5-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzylidene-1,7-di(piperidin-1-yl)heptane-3,5-dione;hydrochloride",NA,"C1CCN(CC1)CCC(=O)C(=CC2=CC=CC=C2)C(=O)CCN3CCCCC3.Cl","DQWGOYZFBNUYLY-UHFFFAOYSA-N",358058,NA,"PDBC23667","617825","Present",NA,NA
+"23668","4-Benzylidene-1,7-dimorpholin-4-ylheptane-3,5-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzylidene-1,7-dimorpholin-4-ylheptane-3,5-dione;hydrochloride",NA,"C1COCCN1CCC(=O)C(=CC2=CC=CC=C2)C(=O)CCN3CCOCC3.Cl","DLNZZKWLLIWJIP-UHFFFAOYSA-N",358056,NA,"PDBC23668","617824","Present",NA,NA
+"23669","4-Benzylsulfanyl-2-phenyl-6-sulfanylidene-1H-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzylthio)-6-mercapto-2-phenyl-5-pyrimidinecarbonitrile",NA,"C1=CC=C(C=C1)CSC2=C(C(=S)NC(=N2)C3=CC=CC=C3)C#N","NKHWMILPDOMLQQ-UHFFFAOYSA-N",3005241,NA,"PDBC23669","685472","Present",NA,NA
+"23670","4-Benzylsulfonyl-7-nitro-2,1,3-benzoxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzylsulfonyl)-7-(hydroxy(oxido)amino)-2,1,3-benzoxadiazole",NA,"C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C3=NON=C23)[N+](=O)[O-]","PVMUCEMCWMKDMP-UHFFFAOYSA-N",313612,NA,"PDBC23670","228148","Present",NA,NA
+"23671","4-Benzylthio-1-propargyl-1H-pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Benzylthio-1-propargyl-1H-pyrazolo[3,4-d]pyrimidine",NA,"C#CCN1C2=C(C=N1)C(=NC=N2)SCC3=CC=CC=C3","DOTRXCNRKKHNBP-UHFFFAOYSA-N",396581,NA,"PDBC23671","703070","Present",NA,NA
+"23672","4-Bromo-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) azobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino) azoben...",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)Br","DKQSXXDUZJNYDQ-UHFFFAOYSA-N",365297,NA,"PDBC23672","632848","Present",NA,NA
+"23673","4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(2-chlorophenyl)methyl)-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(2-chlorophenyl)methyl)-1H-pyrazole",NA,"C1=CC=C(C(=C1)C(N2C=C(C=N2)Br)N3C=C(C=N3)Br)Cl","UIRHULWDWNPBPJ-UHFFFAOYSA-N",364072,NA,"PDBC23673","629711","Present",NA,NA
+"23674","4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(4-chlorophenyl)methyl)-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-1-((4-bromo-1H-pyrazol-1-yl)(4-chlorophenyl)methyl)-1H-pyrazole",NA,"C1=CC(=CC=C1C(N2C=C(C=N2)Br)N3C=C(C=N3)Br)Cl","XMKBCOCUWAOWQG-UHFFFAOYSA-N",364697,NA,"PDBC23674","631349","Present",NA,NA
+"23675","4-Bromo-1-methyl-5-(3-methylisoxazol-5-yl)pyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-1-methyl-5-(3-methylisoxazol-5-yl)pyrrole-2-carboxylic acid",NA,"CC1=NOC(=C1)C2=C(C=C(N2C)C(=O)O)Br","NMTXCHIPBZUHNC-UHFFFAOYSA-N",392529,NA,"PDBC23675","693045","Present",NA,NA
+"23676","4-Bromo-1H-pyrrole-2-carboxylic acid (6a-hydroxy-2-oxo-hexahydro-furo[2,3-d]imidazol-5-ylmethyl)-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-1H-pyrrole-2-carboxylic acid (6a-hydroxy-2-oxo-h...",NA,"C1C(OC2C1(NC(=O)N2)O)CNC(=O)C3=CC(=CN3)Br.C1C(OC2C1(NC(=O)N2)O)CNC(=O)C3=CC(=CN3)Br","PYCRYGPANZWICJ-NQBKHGPVSA-N",54612581,NA,"PDBC23676","723328","Present",NA,NA
+"23677","4-Bromo-2-({4-[ethylbenzylamino]piperidyl}methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766598",NA,"CCN(CC1=CC=CC=C1)C2CCN(CC2)CC3=C(C=CC(=C3)Br)O","HSRJUIYSYAXNIE-UHFFFAOYSA-N",1530458,NA,"PDBC23677","766598","Present",NA,NA
+"23678","4-Bromo-2-[(cyclohexylimino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT026073",NA,"C1CCC(CC1)N=CC2=C(C=CC(=C2)Br)O","PFZHELSOOJVETI-UHFFFAOYSA-N",300886,NA,"PDBC23678","176368","Present",NA,NA
+"23679","4-Bromo-2-{(E)-[(4-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}phenyl)imino]methyl}phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-2-{(E)-[(4-{[(E)-(5-bromo-2-hydroxyphenyl)methylidene]amino}phenyl)imino]methyl}phenol",NA,"C1=CC(=CC=C1N=CC2=C(C=CC(=C2)Br)O)N=CC3=C(C=CC(=C3)Br)O","QFCXAUDCWUSXQG-UHFFFAOYSA-N",359104,NA,"PDBC23679","619686","Present",NA,NA
+"23680","4-Bromo-3,5-di-tert-butyl-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-3,5-di-tert-butyl-2,5-dihydro-1,2-oxaphosphol-2-ol 2-oxide",NA,"CC(C)(C)C1C(=C(P(=O)(O1)O)C(C)(C)C)Br","PWSZCJYYHXRFPR-UHFFFAOYSA-N",380874,NA,"PDBC23680","666658","Present",NA,NA
+"23681","4-Bromo-3,5-di-tert-butyl-2-oxido-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-yl trifluoroacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-3,5-di-tert-butyl-2-oxido-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-yl trifluoroacetate",NA,"CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)OC(=O)C(F)(F)F)Br","FDZCNBUFEJKISK-UHFFFAOYSA-N",380875,NA,"PDBC23681","666659","Present",NA,NA
+"23682","4-Bromo-3,5-di-tert-butyl-2-phenyl-2,5-dihydro-1,2-oxaphosphol-5-ol 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-bromo-3,5-ditert-butyl-2-oxo-2-phenyl-1,2$l^{5}-oxaphosphol-5-ol",NA,"CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)O)Br","QIVZYIBBFINPGI-UHFFFAOYSA-N",381004,NA,"PDBC23682","666981","Present",NA,NA
+"23683","4-Bromo-3,5-di-tert-butyl-5-fluoro-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-3,5-di-tert-butyl-5-fluoro-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide",NA,"CC(C)(C)C1=C(C(OP1(=O)C2=CC=CC=C2)(C(C)(C)C)F)Br","VIAXKCVQAGAVNG-UHFFFAOYSA-N",380876,NA,"PDBC23683","666660","Present",NA,NA
+"23684","4-Bromo-3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-3-(1H-indol-3-yl)-5-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4,5-dihydro-1H-pyridazin-6-one",NA,"CC1=NNC(=O)C1C2C(C(=NNC2=O)C3=CNC4=CC=CC=C43)Br","CTXDHXWHBFPWLD-UHFFFAOYSA-N",392034,NA,"PDBC23684","691833","Present",NA,NA
+"23685","4-Bromo-5,5-dimethyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-5,5-dimethyl-2-phenyl-2,5-dihydro-1,2-oxaphosphole 2-oxide",NA,"CC1(C(=CP(=O)(O1)C2=CC=CC=C2)Br)C","UZZAFLQYWCVDRQ-UHFFFAOYSA-N",380878,NA,"PDBC23685","666662","Present",NA,NA
+"23686","4-Bromo-5-(2,3-dimethoxyphenyl)-2-azabicyclo[3.3.1]nonane;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-1-(2,3-dimethoxyphenyl)-4-azabicyclo[3.3.1]nonane hydrobromide",NA,"COC1=CC=CC(=C1OC)C23CCCC(C2)NCC3Br.Br","BWPOJWDAYRTOPG-UHFFFAOYSA-N",398239,NA,"PDBC23686","707839","Present",NA,NA
+"23687","4-Bromo-6(3',3a,7,7a-tetrahydro-2H-cyclopenta[c]thieno[4,5-d]oxazole-2,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-6(3',4'-dimethoxyphenyl)-3,3a,7,7a-tetrahydro-2H...",NA,"COC1=C(C=C(C=C1)C2=C3C(=C(S2)Br)C4C(C3=O)OC(=O)N4)OC","AQUCZYWTBQPSOA-UHFFFAOYSA-N",403921,NA,"PDBC23687","719643","Present",NA,NA
+"23688","4-Bromo-9-tert-butyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-11-aza-4-borabicyclo[5.3.1]undeca-1(10),7(11),8-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-9-tert-butyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-11-aza-4-borabicyclo[5.3.1]undeca-1(10),7(11),8-triene",NA,"B1(OC(C2=CC(=CC(=N2)C(O1)(C(F)(F)F)C(F)(F)F)C(C)(C)C)(C(F)(F)F)C(F)(F)F)Br","ZNIJYLCNGOWHRM-UHFFFAOYSA-N",358615,NA,"PDBC23688","618622","Present",NA,NA
+"23689","4-Bromo-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide",NA,"CC(=NNS(=O)(=O)C1=CC=C(C=C1)Br)CN2C(=O)C3=CC=CC=C3C2=O","KEYREXBNBRKQAW-YBFXNURJSA-N",9555853,NA,"PDBC23689","643501","Present",NA,NA
+"23690","4-Bromo-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)benzenesulfonohydrazide",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CC=NNS(=O)(=O)C3=CC=C(C=C3)Br","WGPNCVHWWZDCBF-GIJQJNRQSA-N",9555863,NA,"PDBC23690","643512","Present",NA,NA
+"23691","4-Bromo-N'-butylbenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-bromo-N'-butylbenzohydrazide",NA,"CCCCNNC(=O)C1=CC=C(C=C1)Br","BVQCFCYPFJOOAV-UHFFFAOYSA-N",4596836,NA,"PDBC23691","773315","Present",NA,NA
+"23692","4-Bromo-N-(2-(1-piperidinyl)ethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK493357",NA,"C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)Br","ISJXFKZLMCIOKC-UHFFFAOYSA-N",380066,NA,"PDBC23692","665368","Present",NA,NA
+"23693","4-Bromo-N-(2-phenyl-4H-pyrazolo[5,1-f]pyrido[1,2-b][1,2,4]triazin-4-ylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromophenyl)-4-phenyl-1,2,3,8-tetrazatricyclo[7.4.0.02,6]trideca-3,5,8,10,12-pentaen-7-imine",NA,"C1=CC=C(C=C1)C2=NN3C(=C2)C(=NC4=CC=C(C=C4)Br)N=C5N3C=CC=C5","NGNODFWOFCYIGT-UHFFFAOYSA-N",370906,NA,"PDBC23693","644644","Present",NA,NA
+"23694","4-Bromo-N-(4-methylbenzyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylbenzyl)-4-bromoaniline",NA,"CC1=CC=C(C=C1)CNC2=CC=C(C=C2)Br","WJKFEXKYOWOJPT-UHFFFAOYSA-N",292569,NA,"PDBC23694","158399","Present",NA,NA
+"23695","4-Bromo-N-[(1,1-dioxo-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-yl)methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-N-[(1,1-dioxo-3,4-dihydro-2H-pyrido[4,3-e][1,2,4]thiadiazin-3-yl)methyl]benzamide",NA,"C1=CC(=CC=C1C(=O)NCC2NC3=C(C=NC=C3)S(=O)(=O)N2)Br","MEHBPVBRPQNLJI-UHFFFAOYSA-N",398187,NA,"PDBC23695","707782","Present",NA,NA
+"23696","4-Bromo-N-[(2,6-diethylphenyl)carbamothioyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiourea, N-[(4-bromophenyl)carbonyl]- N'-(2,6-diethylph...",NA,"CCC1=C(C(=CC=C1)CC)NC(=S)NC(=O)C2=CC=C(C=C2)Br","PHNGFSCBIVNEKD-UHFFFAOYSA-N",3004250,NA,"PDBC23696","640359","Present",NA,NA
+"23697","4-Bromo-N-[2-(ethylamino)ethyl]benzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665374",NA,"CCNCCNC(=O)C1=CC=C(C=C1)Br.Cl","GXBZOVOYAPDGPH-UHFFFAOYSA-N",380077,NA,"PDBC23697","665374","Present",NA,NA
+"23698","4-Bromo-N-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-N-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]butanamide",NA,"C1=CC=C(C(=C1)C#CC=CC#CC2=CC=CC=C2NC(=O)CCCBr)C(F)(F)F","NVERPKJUDZQPPF-UPHRSURJSA-N",24205407,NA,"PDBC23698","735436","Present",NA,NA
+"23699","4-Bromo-N-[2-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-bromo-N-(2-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazo...",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)Br","VVLDNGKHMOZUIL-UHFFFAOYSA-N",92131132,NA,"PDBC23699","783563","Present",NA,NA
+"23700","4-Bromo-N-[3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-bromo-N-(3-(5,6,7-trimethoxy-4-oxochroman-2-yl)phenyl)...",NA,"COC1=C(C(=C2C(=O)CC(OC2=C1)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)Br)OC)OC","UNJAMRWNCMWMCG-UHFFFAOYSA-N",155814349,NA,"PDBC23700","798138","Present",NA,NA
+"23701","4-Bromo-N-[3-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-bromo-N-(3-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazo...",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)Br","QDSQEHDUAYHHQL-UHFFFAOYSA-N",155806061,NA,"PDBC23701","787109","Present",NA,NA
+"23702","4-Bromo-N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-N-[diethoxyphosphoryl-(3-nitrophenyl)methyl]aniline",NA,"CCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)Br)OCC","WVDHHQRUEMRVLK-UHFFFAOYSA-N",385492,NA,"PDBC23702","676741","Present",NA,NA
+"23703","4-Bromo-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromo-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,"CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=C(C=C1)Br","RVTUBFBGGUVODM-UHFFFAOYSA-N",368841,NA,"PDBC23703","640166","Present",NA,NA
+"23704","4-Bromoquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Bromoquinolin-8-ol",NA,"C1=CC2=C(C=CN=C2C(=C1)O)Br","CNBUFEUMIIGYIU-UHFFFAOYSA-N",384165,NA,"PDBC23704","673456","Present",NA,NA
+"23705","4-Butyl-1,2-diphenyl-4-(9H-xanthen-9-yl)pyrazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Butyl-1,2-diphenyl-4-(9H-xanthen-9-yl)pyrazolidine-3,5-dione",NA,"CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C4C5=CC=CC=C5OC6=CC=CC=C46","CVPRQMOZWZABTR-UHFFFAOYSA-N",357337,NA,"PDBC23705","615604","Present",NA,NA
+"23706","4-Butyl-11-methyl-1H-furo[3,4-b]oxanthren-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Butyl-4-methylfuro[3,4-b]oxanthren-1(3h)-one",NA,"CCCCC1=C2C(=C(C3=C1OC4=CC=CC=C4O3)C)COC2=O","ZTNQKZGZTJFNGV-UHFFFAOYSA-N",398158,NA,"PDBC23706","707690","Present",NA,NA
+"23707","4-Butyl-4,11-dihydro-1H-pyrimido[4,5-a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Butyl-4,11-dihydro-1H-pyrimido[4,5-a]carbazole",NA,"CCCCC1C2=C(C3=C(C=C2)C4=CC=CC=C4N3)NC=N1","DYPCXFPTTAYIOF-UHFFFAOYSA-N",334687,NA,"PDBC23707","340555","Present",NA,NA
+"23708","4-Butyl-4-(2-cyclohexylidenehydrazino)-1,2-diphenylpyrazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Butyl-4-(2-cyclohexylidenehydrazino)-1,2-diphenylpyrazolidine-3,5-dione",NA,"CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)NN=C4CCCCC4","APBRIQOGDHBPMH-UHFFFAOYSA-N",378377,NA,"PDBC23708","660676","Present",NA,NA
+"23709","4-Butyl-5-isopropyl-2-methyl-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Butyl-5-isopropyl-2-methyl-1,3-oxazole",NA,"CCCCC1=C(OC(=N1)C)C(C)C","DKMCAUSUYOFBBT-UHFFFAOYSA-N",384231,NA,"PDBC23709","673647","Present",NA,NA
+"23710","4-Carbamoyl-1-dodecylpyridin-1-ium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Carbamoyl-1-dodecylpyridin-1-ium bromide",NA,"CCCCCCCCCCCC[N+]1=CC=C(C=C1)C(=O)N.[Br-]","HTJHOMQXYMEFFL-UHFFFAOYSA-N",14143619,NA,"PDBC23710","141257","Present",NA,NA
+"23711","4-Carbamoyl-1h-imidazol-5-yl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-4-carboxamide, 5-thiocyanato-",NA,"C1=NC(=C(N1)C(=O)N)SC#N","GPINFQBTFXFXNK-UHFFFAOYSA-N",388844,NA,"PDBC23711","684038","Present",NA,NA
+"23712","4-Carbethoxymethyl-2-[2-[(1-pyrolidinyl)thiocarbamoylthio]he xanoylamino]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-carbethoxymethyl-2-[2-[(1-pyrolidinyl)thiocarbamoylthi...",NA,"CCCCC(C(=O)NC1=NC(=CS1)CC(=O)OCC)SC(=S)N2CCCC2","ZLPLVIUKYHPOAQ-UHFFFAOYSA-N",24205626,NA,"PDBC23712","736283","Present",NA,NA
+"23713","4-Carboxybenzenethiolate;1,3-dibenzyl-4,5-diphenyl-2H-imidazol-2-ide;gold(1+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-dibenzyl-4,5-diphenyl-imidazol-2-ylidene gold(I) p-m...",NA,"[CH-]1N(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5.C1=CC(=CC=C1C(=O)O)[S-].[Au+]","UTTPUEKFCIGRKU-UHFFFAOYSA-M",155807096,NA,"PDBC23713","791327","Present",NA,NA
+"23714","4-Carboxyl-benzo[b]thieno[17,3,5(10),16-tetraen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Carboxyl-benzo[b]thieno[17,16-d]-3-O-methyl-estra-1,3,...",NA,"CC12CCC3C(C1CC4=CC(=C5C(=C24)C=CS5)C(=O)O)CCC6=C3C=CC(=C6)OC","AFOPBUWQWDDRBN-HADKFRGNSA-N",45027911,NA,"PDBC23714","740084","Present",NA,NA
+"23715","4-Carboxyphenylglycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-CPG",NA,"C1=CC(=CC=C1C(C(=O)O)N)C(=O)O","VTMJKPGFERYGJF-UHFFFAOYSA-N",5115,NA,"PDBC23715","644612","Present",NA,NA
+"23716","4-Chloro-1,3,5,7-tetramethyl-1,3,5,7-tetraaza-4lambda~5~-phosphaspiro[3.3]heptane-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-1,3,5,7-tetramethyl-1,3,5,7-tetraaza-4lambda~5~-phosphaspiro[3.3]heptane-2,6-dione",NA,"CN1C(=O)N(P12(N(C(=O)N2C)C)Cl)C","IBTDLMFATJWOHG-UHFFFAOYSA-N",367801,NA,"PDBC23716","637820","Present",NA,NA
+"23717","4-Chloro-1,5-diethoxy-3-methyl-2H-1lambda5-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-1,5-diethoxy-3-methyl-1,2-dihydrophosphinine 1-oxide",NA,"CCOC1=CP(=O)(CC(=C1Cl)C)OCC","ZTVHLWYBQKMLGH-UHFFFAOYSA-N",374236,NA,"PDBC23717","651731","Present",NA,NA
+"23718","4-Chloro-1,5-dinitronaphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene, 4-chloro-1,5-dinitro-",NA,"C1=CC2=C(C=CC(=C2C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]","KCMPORJIBRHUHC-UHFFFAOYSA-N",294516,NA,"PDBC23718","163133","Present",NA,NA
+"23719","4-Chloro-1-ethoxy-3,5-dimethyl-1,2-dihydrophosphorin 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-1-ethoxy-3,5-dimethyl-1,2-dihydrophosphinine 1-oxide",NA,"CCOP1(=O)CC(=C(C(=C1)C)Cl)C","JGIMOEHVVMWQGZ-UHFFFAOYSA-N",372643,NA,"PDBC23719","648097","Present",NA,NA
+"23720","4-Chloro-1-ethoxy-3-methoxy-5-methyl-1,2,3,6-tetrahydrophosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-1-ethoxy-3-methoxy-5-methyl-1,2,3,6-tetrahydrophosphinine 1-oxide",NA,"CCOP1(=O)CC(C(=C(C1)C)Cl)OC","WGVMXIBAKCESJT-UHFFFAOYSA-N",378415,NA,"PDBC23720","660834","Present",NA,NA
+"23721","4-Chloro-1-ethoxy-3-methyl-1,2-dihydrophosphorin 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-1-ethoxy-3-methyl-1,2-dihydrophosphinine 1-oxide",NA,"CCOP1(=O)CC(=C(C=C1)Cl)C","XPXVVCIKUBLFCQ-UHFFFAOYSA-N",368399,NA,"PDBC23721","639390","Present",NA,NA
+"23722","4-Chloro-1-ethoxy-5-methyl-1,2,3,6-tetrahydro-3-phosphininol 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-1-ethoxy-5-methyl-1,2,3,6-tetrahydro-3-phosphininol 1-oxide",NA,"CCOP1(=O)CC(C(=C(C1)C)Cl)O","NAIZILPXZFRPLE-UHFFFAOYSA-N",378416,NA,"PDBC23722","660835","Present",NA,NA
+"23723","4-Chloro-1-isopropoxy-3-methoxy-3,5-dimethyl-1,2,3,6-tetrahydrophosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-1-isopropoxy-3-methoxy-3,5-dimethyl-1,2,3,6-tetrahydrophosphinine 1-oxide",NA,"CC1=C(C(CP(=O)(C1)OC(C)C)(C)OC)Cl","DREMTYJUJQWDRI-UHFFFAOYSA-N",378417,NA,"PDBC23723","660836","Present",NA,NA
+"23724","4-Chloro-1-methyl-1H-pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-CHLORO-1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE",NA,"CN1C2=C(C=N1)C(=NC=N2)Cl","AVFLNALVPBLGEV-UHFFFAOYSA-N",219751,NA,"PDBC23724","1424","Present",NA,NA
+"23725","4-Chloro-1H-indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-1H-indazole",NA,"C1=CC2=C(C=NN2)C(=C1)Cl","CQTGQYVQJOJQCM-UHFFFAOYSA-N",393037,NA,"PDBC23725","694315","Present",NA,NA
+"23726","4-Chloro-2-((3-(5-chloro-2-hydroxybenzyl)-1-imidazolidinyl)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-((3-(5-chloro-2-hydroxybenzyl)-1-imidazolidinyl)methyl)phenol",NA,"C1CN(CN1CC2=C(C=CC(=C2)Cl)O)CC3=C(C=CC(=C3)Cl)O","WXTWKGUACFYGQQ-UHFFFAOYSA-N",381409,NA,"PDBC23726","667954","Present",NA,NA
+"23727","4-Chloro-2-((3-quinolinylimino)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-((3-quinolinylimino)methyl)phenol",NA,"C1=CC=C2C(=C1)C=C(C=N2)N=CC3=C(C=CC(=C3)Cl)O","APAGHSCPGGGDFZ-UHFFFAOYSA-N",270355,NA,"PDBC23727","112751","Present",NA,NA
+"23728","4-Chloro-2-(2,7,7-trimethyl-1-tricyclo[2.2.1.02,6]heptanyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-(2,7,7-trimethyl-1-tricyclo[2.2.1.02,6]heptanyl)aniline",NA,"CC1(C2CC3C1(C3(C2)C)C4=C(C=CC(=C4)Cl)N)C","NNNGJTMHDQRLPS-UHFFFAOYSA-N",396665,NA,"PDBC23728","703179","Present",NA,NA
+"23729","4-Chloro-2-(2-imino-6-phenyl-1,2,5,6-tetrahydro-4-pyrimidinyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-(2-imino-6-phenyl-5,6-dihydro-1H-pyrimidin-4-yl)phenol",NA,"C1C(N=C(N=C1C2=C(C=CC(=C2)Cl)O)N)C3=CC=CC=C3","MTSFRTBCIQTEBZ-UHFFFAOYSA-N",359841,NA,"PDBC23729","621451","Present",NA,NA
+"23730","4-Chloro-2-(2-mercapto-6-phenyl-4-pyrimidinyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-(2-mercapto-6-phenyl-4-pyrimidinyl)phenol",NA,"C1=CC=C(C=C1)C2=NC(=S)NC(=C2)C3=C(C=CC(=C3)Cl)O","KKEOTAJRTYTASO-UHFFFAOYSA-N",3005076,NA,"PDBC23730","670269","Present",NA,NA
+"23731","4-Chloro-2-(5-chloro-2-mercapto-6-phenyl-4-pyrimidinyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-(5-chloro-2-mercapto-6-phenyl-4-pyrimidinyl)phenol",NA,"C1=CC=C(C=C1)C2=NC(=S)NC(=C2Cl)C3=C(C=CC(=C3)Cl)O","LDQJDMZIZVJLRV-UHFFFAOYSA-N",3005075,NA,"PDBC23731","670268","Present",NA,NA
+"23732","4-Chloro-2-(methylthio)pyrimido[5',4':6,7][1,3,4]thiadiazepino[3,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5-methylsulfanyl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3(8),4,6,9,12,14,16-octaene",NA,"CSC1=NC2=C(C=NN3C4=CC=CC=C4N=C3S2)C(=N1)Cl","CWQXEPRYCXZVFV-UHFFFAOYSA-N",394381,NA,"PDBC23732","697781","Present",NA,NA
+"23733","4-Chloro-2-[(7-hydroxy-3-methyl-4-oxo-chromene-2-carbonyl)amino]-5-methyl-benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-[(7-hydroxy-3-methyl-4-oxo-chromene-2-carbonyl)amino]-5-methyl-benzenesulfonic acid",NA,"CC1=CC(=C(C=C1Cl)NC(=O)C2=C(C(=O)C3=C(O2)C=C(C=C3)O)C)S(=O)(=O)O","CEQYEVNGXMVCSE-UHFFFAOYSA-N",5467220,NA,"PDBC23733","648630","Present",NA,NA
+"23734","4-Chloro-2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-2-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]phenol",NA,"C1=CC(=CC=C1C2=NNC(=C2)C3=C(C=CC(=C3)Cl)O)Cl","NNPMRAUCHSGECM-UHFFFAOYSA-N",776023,NA,"PDBC23734","775429","Present",NA,NA
+"23735","4-Chloro-2-[5-(2-chloro-phenyl)-1H-pyrazol-3-yl]-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol",NA,"C1=CC=C(C(=C1)C2=CC(=NN2)C3=C(C=CC(=C3)Cl)O)Cl","ZMXHUXDIJUDGPM-UHFFFAOYSA-N",685709,NA,"PDBC23735","767874","Present",NA,NA
+"23736","4-Chloro-2-[[3-(7-hydroxy-2-oxo-chromen-4-yl)-2-oxo-propanoyl]amino]-5-methyl-benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-{[3-(7-hydroxy-2-oxo-2H-chromen-4-yl)-2-oxopropanoyl]amino}-5-methylbenzenesulfonic acid",NA,"CC1=CC(=C(C=C1Cl)NC(=O)C(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)S(=O)(=O)O","DZNKBAMBDVHWLE-UHFFFAOYSA-N",5467036,NA,"PDBC23736","647097","Present",NA,NA
+"23737","4-Chloro-2-[[5-chloro-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfamoyl]-4-methylphenyl]disulfanyl]-N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-[[5-chloro-2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfamoyl]-4-methylphenyl]disulfanyl]-N-[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)SSC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)NC3=NNC(=N3)C4=CC=C(C=C4)Cl)S(=O)(=O)NC5=NNC(=N5)C6=CC=C(C=C6)Cl","CNBDKAVAABAXQE-UHFFFAOYSA-N",384335,NA,"PDBC23737","674020","Present",NA,NA
+"23738","4-Chloro-2-mercapto-5-methyl-N-(1-phenyl-1H-benzimidazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-5-methyl-N-(1-phenyl-1H-benzimidazol-2-yl)benzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N2C4=CC=CC=C4","GXMBRHBPQJMPEM-UHFFFAOYSA-N",393936,NA,"PDBC23738","696908","Present",NA,NA
+"23739","4-Chloro-2-mercapto-5-methyl-N-(1H-perimidin-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-5-methyl-N-(1H-perimidin-2-yl)benzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C2NC3=CC=CC4=C3C(=CC=C4)N2","AGBDQOAYKJADGP-UHFFFAOYSA-N",135465540,NA,"PDBC23739","696907","Present",NA,NA
+"23740","4-Chloro-2-mercapto-5-methyl-N-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-5-methyl-N-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)benzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)C3=CC=CC=N3","WXPHALLOHYTUIX-UHFFFAOYSA-N",384315,NA,"PDBC23740","673999","Present",NA,NA
+"23741","4-Chloro-2-mercapto-5-methyl-N-(5-amino-1-methyl-1,2,4-trizol-3-yl)benzenesulphonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Amino-1-methyl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C","ZSQPQYIRXMQNMO-UHFFFAOYSA-N",378478,NA,"PDBC23741","661078","Present",NA,NA
+"23742","4-Chloro-2-mercapto-5-methyl-N-(6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-5-methyl-N-(6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)benzenesulfonamide",NA,"CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)S","BWAHRTZIBYHSLE-UHFFFAOYSA-N",397046,NA,"PDBC23742","704328","Present",NA,NA
+"23743","4-Chloro-2-mercapto-5-methyl-N-(6-methyl-1H-benzimidazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-5-methyl-N-(6-methyl-1H-benzimidazol-2-yl)benzenesulfonamide",NA,"CC1=CC2=C(C=C1)N=C(N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S","HJRQHTSVOGWXFU-UHFFFAOYSA-N",387426,NA,"PDBC23743","681175","Present",NA,NA
+"23744","4-Chloro-2-mercapto-5-methyl-N-(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-5-methyl-N-(6-methyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)benzenesulfonamide",NA,"CC1=NN2C(=NN=C2NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S)C=C1","CBKMGNZRPVFMMI-UHFFFAOYSA-N",384312,NA,"PDBC23744","673996","Present",NA,NA
+"23745","4-Chloro-2-mercapto-5-methyl-N-[1,2,4]triazolo[4,3-a]pyridin-3-ylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-5-methyl-N-[1,2,4]triazolo[4,3-a]pyridin-3-ylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C=CC=C3","SGQVCISIURHRNX-UHFFFAOYSA-N",380939,NA,"PDBC23745","666725","Present",NA,NA
+"23746","4-Chloro-2-mercapto-5-methyl-N-[3-(2-naphthylamino)-1H-1,2,4-triazol-5-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-5-methyl-N-[3-(2-naphthylamino)-1H-1,2,4-triazol-5-yl]benzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC4=CC=CC=C4C=C3","FVYYYOQJBIBEHF-UHFFFAOYSA-N",380933,NA,"PDBC23746","666719","Present",NA,NA
+"23747","4-Chloro-2-mercapto-5-methyl-N-[3-(3-nitrophenyl)quinoxalin-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-2-mercapto-5-methyl-N-[3-(3-nitrophenyl)quinoxa...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2C4=CC(=CC=C4)[N+](=O)[O-]","NLFDRVQQKIFDQW-UHFFFAOYSA-N",404443,NA,"PDBC23747","720648","Present",NA,NA
+"23748","4-Chloro-2-mercapto-5-methyl-N-[3-(4-chlorophenyl)-4-cyano-5-pyrazolyl)benzene-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-5-methyl-N-[3-(4-chlorophenyl)-4-cya...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=C2C#N)C3=CC=C(C=C3)Cl","CJCWTWHXCDDRSD-UHFFFAOYSA-N",406660,NA,"PDBC23748","724900","Present",NA,NA
+"23749","4-Chloro-2-mercapto-5-methyl-N-[5-methyl-7-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-N-[5-methyl-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C(=CC(=C3)C(F)(F)F)C","NKLLWQCNTWVCCV-UHFFFAOYSA-N",384311,NA,"PDBC23749","673995","Present",NA,NA
+"23750","4-Chloro-2-mercapto-5-methyl-N-{3-[(3,4,5-trimethoxyphenyl)amino]-1H-1,2,4-triazol-5-yl}benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-2-sulfanyl-N-[5-(3,4,5-trimethoxyanilino)-1H-1,2,4-triazol-3-yl]benzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC(=C(C(=C3)OC)OC)OC","DWBSMUGBPMNAMT-UHFFFAOYSA-N",380932,NA,"PDBC23750","666718","Present",NA,NA
+"23751","4-Chloro-2-mercapto-5-methyl-N-{3-[(4-methylphenyl)amino]-1H-1,2,4-triazol-5-yl}benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-5-methyl-N-{3-[(4-methylphenyl)amino]-1H-1,2,4-triazol-5-yl}benzenesulfonamide",NA,"CC1=CC=C(C=C1)NC2=NC(=NN2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S","CYIGQYFUSLAKHN-UHFFFAOYSA-N",380928,NA,"PDBC23751","666714","Present",NA,NA
+"23752","4-Chloro-2-mercapto-5-methyl-n-(5,6-dimethylbenzimidazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(5,6-dimethyl-1H-benzimidazol-2-yl)-5-methyl-2-sulfanyl-benzenesulfonamide",NA,"CC1=CC2=C(C=C1C)N=C(N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S","BBORRUJYQJABHV-UHFFFAOYSA-N",387427,NA,"PDBC23752","681176","Present",NA,NA
+"23753","4-Chloro-2-mercapto-N-{3-[(3-methoxyphenyl)amino]-1H-1,2,4-triazol-5-yl}-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-N-{3-[(3-methoxyphenyl)amino]-1H-1,2,4-triazol-5-yl}-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC(=CC=C3)OC","YYQWMYDERBYAMK-UHFFFAOYSA-N",380931,NA,"PDBC23753","666717","Present",NA,NA
+"23754","4-Chloro-2-mercapto-N-{3-[(4-methoxyphenyl)amino]-1H-1,2,4-triazol-5-yl}-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-mercapto-N-{3-[(4-methoxyphenyl)amino]-1H-1,2,4-triazol-5-yl}-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=C(C=C3)OC","ONYBCDREBRLIKV-UHFFFAOYSA-N",380930,NA,"PDBC23754","666716","Present",NA,NA
+"23755","4-Chloro-2-nitro-1-(phenylsulfonyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658180",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]","VZDUQPHKUBZMLW-UHFFFAOYSA-N",291461,NA,"PDBC23755","658180","Present",NA,NA
+"23756","4-Chloro-2-nitro-1-(phenylthio)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_000696",NA,"C1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)[N+](=O)[O-]","GSQPMKQJTMHIFH-UHFFFAOYSA-N",376977,NA,"PDBC23756","658179","Present",NA,NA
+"23757","4-Chloro-2-nitrophenyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AL-398/12677004",NA,"C1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Cl)[N+](=O)[O-]","VATBFJSGHPZRDB-UHFFFAOYSA-N",361281,NA,"PDBC23757","624224","Present",NA,NA
+"23758","4-Chloro-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene",NA,"C1=CC=C(C=C1)N2C3=C4C(OC5=C3C=C(C=C5)Cl)SC6=CC=CC=C6C4=N2","REFDRGAXVOHPOO-UHFFFAOYSA-N",371909,NA,"PDBC23758","646493","Present",NA,NA
+"23759","4-Chloro-2-phenyl[1,3]thiazolo[4,5-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolo[4,5-d]pyridazine, 4-chloro-2-phenyl-",NA,"C1=CC=C(C=C1)C2=NC3=C(N=NC=C3S2)Cl","ILZWMFRMQWZOKM-UHFFFAOYSA-N",388033,NA,"PDBC23759","682463","Present",NA,NA
+"23760","4-Chloro-2-phenylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM4979797",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)Cl","GLVDSTVYOFXBKT-UHFFFAOYSA-N",278376,NA,"PDBC23760","127922","Present",NA,NA
+"23761","4-Chloro-2-{[(1,1-dioxido-2,5-dihydro-2-thienyl)(oxo)acetyl]amino}-5-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-{[(1,1-dioxido-2,5-dihydro-2-thienyl)(oxo)acetyl]amino}-5-methylbenzenesulfonic acid",NA,"CC1=CC(=C(C=C1Cl)NC(=O)C(=O)C2C=CCS2(=O)=O)S(=O)(=O)O","AMDJIYDXUCSPFC-UHFFFAOYSA-N",371838,NA,"PDBC23761","646356","Present",NA,NA
+"23762","4-Chloro-2-{[5-methoxy-3-(methoxycarbonyl)-2,4,5-trioxopentanoyl]amino}-5-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-{[5-methoxy-3-(methoxycarbonyl)-2,4,5-trioxopentanoyl]amino}-5-methylbenzenesulfonic acid",NA,"CC1=CC(=C(C=C1Cl)NC(=O)C(=O)C(C(=O)C(=O)OC)C(=O)OC)S(=O)(=O)O","MISRINPOFPSLSB-UHFFFAOYSA-N",369808,NA,"PDBC23762","642002","Present",NA,NA
+"23763","4-Chloro-3,5-dimethyl-1-propan-2-yloxy-2H-1lambda5-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3,5-dimethyl-1-(propan-2-yloxy)-1,2-dihydrophosphinine 1-oxide",NA,"CC1=C(C(=CP(=O)(C1)OC(C)C)C)Cl","LHDZLLWPCVALHO-UHFFFAOYSA-N",374235,NA,"PDBC23763","651730","Present",NA,NA
+"23764","4-Chloro-3,5-dimethyl-1-propoxy-2H-1lambda5-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3,5-dimethyl-1-propoxy-1,2-dihydrophosphinine 1-oxide",NA,"CCCOP1(=O)CC(=C(C(=C1)C)Cl)C","IYSRVZSJQJHCMQ-UHFFFAOYSA-N",372644,NA,"PDBC23764","648098","Present",NA,NA
+"23765","4-Chloro-3,5-dinitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C7H4ClN3O5",NA,"C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)N","XIYABENEBOSULF-UHFFFAOYSA-N",88673,NA,"PDBC23765","76582","Present",NA,NA
+"23766","4-Chloro-3-(2-chloroethyl)-6-fluoro-2-methylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/40829184",NA,"CC1=C(C(=C2C=C(C=CC2=N1)F)Cl)CCCl","VENGHQRTHAHFAY-UHFFFAOYSA-N",387223,NA,"PDBC23766","680785","Present",NA,NA
+"23767","4-Chloro-3-(chloro(difluoro)methyl)-4,4-difluoro-3-hydroxybutanal (4-chloro-3-(chloro(difluoro)methyl)-4,4-difluoro-3-hydroxybutylidene)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-1-Chloro-4-[(E)-[4-chloro-3-[chloro(difluoro)methyl]-4,4-difluoro-3-hydroxybutylidene]hydrazinylidene]-2-[chloro(difluoro)methyl]-1,1-difluorobutan-2-ol",NA,"C(C=NN=CCC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","WZVCDNUTHWTVSU-GBKOTFCMSA-N",9555939,NA,"PDBC23767","659188","Present",NA,NA
+"23768","4-Chloro-3-cinnolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-cinnolinol",NA,"C1=CC2=C(C(=O)NN=C2C=C1)Cl","KPKPESZZAAYPCF-UHFFFAOYSA-N",368587,NA,"PDBC23768","639683","Present",NA,NA
+"23769","4-Chloro-3-methoxy-N-[4-[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=CC=C5)Cl","VQEAREVJSIICME-UHFFFAOYSA-N",402392,NA,"PDBC23769","716304","Present",NA,NA
+"23770","4-Chloro-3-methoxy-N-[4-[2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=CS5)Cl","MGTWXBYQVSISFD-UHFFFAOYSA-N",402394,NA,"PDBC23770","716306","Present",NA,NA
+"23771","4-Chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-phenyl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"CC1C(=O)N(C(S1)C2=CC=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC","ZJTNBKYRMYDMIO-UHFFFAOYSA-N",402397,NA,"PDBC23771","716309","Present",NA,NA
+"23772","4-Chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[2-(5-methyl-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"CC1C(=O)N(C(S1)C2=CC=CS2)C3=NC(=CS3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC","FAPUZTLWQADRQD-UHFFFAOYSA-N",402399,NA,"PDBC23772","716311","Present",NA,NA
+"23773","4-Chloro-3-methoxy-N-[4-[2-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[2-[(Z)-(3-phenoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=CC4=CC(=CC=C4)OC5=CC=CC=C5)Cl","LFRNVADZSXHLHC-MNBJERMJSA-N",9572447,NA,"PDBC23773","716297","Present",NA,NA
+"23774","4-Chloro-3-methoxy-N-[4-[2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[2-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=CC=CC4=CC=CC=C4)Cl","DCJAXHQQRKVNAT-VPCCHDSYSA-N",9572448,NA,"PDBC23774","716298","Present",NA,NA
+"23775","4-Chloro-3-methoxy-N-[4-[2-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[2-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=CC4=CC=CS4)Cl","SHRUALOITOZROO-FMCGGJTJSA-N",9572446,NA,"PDBC23775","716295","Present",NA,NA
+"23776","4-Chloro-3-methoxy-N-[4-[2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[2-[4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC(=CC=C5)OC6=CC=CC=C6)Cl","PRPARHJXEAMERV-UHFFFAOYSA-N",402395,NA,"PDBC23776","716307","Present",NA,NA
+"23777","4-Chloro-3-methoxy-N-[4-[2-[5-methyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[2-[5-methyl-4-oxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]benzenesulfonamide",NA,"CC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)C4=NC(=CS4)C5=CC=C(C=C5)NS(=O)(=O)C6=CC(=C(C=C6)Cl)OC","RVGFVNHBHQISPF-UHFFFAOYSA-N",402400,NA,"PDBC23777","716312","Present",NA,NA
+"23778","4-Chloro-3-methoxy-N-[4-[4-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[4-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(SCC4=O)C5=CC=CS5)Cl","HBKHALWIQFHDFK-UHFFFAOYSA-N",402738,NA,"PDBC23778","716932","Present",NA,NA
+"23779","4-Chloro-3-methoxy-N-[4-[4-(thiophen-2-ylmethylideneamino)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[4-(thiophen-2-ylmethylideneamino)phenyl]-1,3-thiazol-2-yl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N=CC4=CC=CS4)Cl","FNDYNJOMOLIALY-UHFFFAOYSA-N",402732,NA,"PDBC23779","716926","Present",NA,NA
+"23780","4-Chloro-3-methoxy-N-[4-[4-[(4E)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[4-[(4E)-5-oxo-2-phenyl-4-(thiophen-2-ylmethylidene)imidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(=NC(=CC5=CC=CS5)C4=O)C6=CC=CC=C6)Cl","TZHDDMMABBCVSJ-PCLIKHOPSA-N",5472215,NA,"PDBC23780","716949","Present",NA,NA
+"23781","4-Chloro-3-methoxy-N-[4-[4-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[4-[(4Z)-4-[(2-nitrophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(=NC(=CC5=CC=CC=C5[N+](=O)[O-])C4=O)C6=CC=CC=C6)Cl","NPURFFPTNWMMQL-ONUIUJJFSA-N",5472214,NA,"PDBC23781","716948","Present",NA,NA
+"23782","4-Chloro-3-methoxy-N-[4-[4-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methoxy-N-[4-[4-[(4Z)-5-oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]phenyl]-1,3-thiazol-2-yl]benzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(=NC(=CC=CC5=CC=CC=C5)C4=O)C6=CC=CC=C6)Cl","MJWNYZCLBKNNBR-ARZLCFKZSA-N",5472213,NA,"PDBC23782","716947","Present",NA,NA
+"23783","4-Chloro-3-methyl-1-oxo-1-propoxy-2H-1lambda5-phosphinin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-1-propoxy-1,6-dihydrophosphinin-3-ol 1-oxide",NA,"CCCOP1(=O)CC(=C(C(=C1)O)Cl)C","OWNPQNKVSYOABJ-UHFFFAOYSA-N",374237,NA,"PDBC23783","651732","Present",NA,NA
+"23784","4-Chloro-3-methyl-1-phenoxy-2H-1lambda5-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methyl-1-phenoxy-1,2-dihydrophosphinine 1-oxide",NA,"CC1=C(C=CP(=O)(C1)OC2=CC=CC=C2)Cl","VBPGYAPIOSBTCW-UHFFFAOYSA-N",370736,NA,"PDBC23784","644256","Present",NA,NA
+"23785","4-Chloro-3-methyl-1-propan-2-yloxy-2H-1lambda5-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methyl-1-(propan-2-yloxy)-1,2-dihydrophosphinine 1-oxide",NA,"CC1=C(C=CP(=O)(C1)OC(C)C)Cl","QFSZGOPFUCXBAQ-UHFFFAOYSA-N",368400,NA,"PDBC23785","639391","Present",NA,NA
+"23786","4-Chloro-3-methyl-1-propoxy-1,2-dihydrophosphorin 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methyl-1-propoxy-1,2-dihydrophosphinine 1-oxide",NA,"CCCOP1(=O)CC(=C(C=C1)Cl)C","FJRUJMZGGYRQBK-UHFFFAOYSA-N",370737,NA,"PDBC23786","644257","Present",NA,NA
+"23787","4-Chloro-3-methylphenolate;1-phenylbutane-1,3-dione;titanium(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Bis(4-chloro-1-hydroxy-3-methylbenzolato-O-)bis(1-ph...",NA,"CC1=C(C=CC(=C1)[O-])Cl.CC1=C(C=CC(=C1)[O-])Cl.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","LZOKCQJRQLTLRC-UHFFFAOYSA-L",11979332,NA,"PDBC23787","638372","Present",NA,NA
+"23788","4-Chloro-3-methylphenyl (4-phenyl-1H-1,2,3-triazol-1-yl)methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methylphenyl (4-phenyl-1H-1,2,3-triazol-1-yl)methylcarbamate",NA,"CC1=C(C=CC(=C1)OC(=O)NCN2C=C(N=N2)C3=CC=CC=C3)Cl","ZKMIOLOIPMMYCR-UHFFFAOYSA-N",386632,NA,"PDBC23788","679086","Present",NA,NA
+"23789","4-Chloro-3-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-4-chlorobenzamide",NA,"C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])Cl","CGXRJCDXGJRBHV-UHFFFAOYSA-N",27942,NA,"PDBC23789","127825","Present",NA,NA
+"23790","4-Chloro-3-nitrobenzanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-3-nitrobenzanilide",NA,"C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]","MPSDMWLZVDJFGW-UHFFFAOYSA-N",96073,NA,"PDBC23790","50641","Present",NA,NA
+"23791","4-Chloro-3-nitrobenzophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-3-nitrobenzophenone",NA,"C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]","YBDBYPQFIMSFJW-UHFFFAOYSA-N",41743,NA,"PDBC23791","102519","Present",NA,NA
+"23792","4-Chloro-3-nitrophenyl methyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-3-nitrophenyl methyl sulfone",NA,"CS(=O)(=O)C1=CC(=C(C=C1)Cl)[N+](=O)[O-]","JAANTSGNTKWLFA-UHFFFAOYSA-N",66796,NA,"PDBC23792","25818","Present",NA,NA
+"23793","4-Chloro-3H-triazolo[4,5-g]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3H-triazolo[4,5-g]quinoline",NA,"C1=CC2=CC3=NNN=C3C(=C2N=C1)Cl","LUZPZOHDHGKEEU-UHFFFAOYSA-N",391196,NA,"PDBC23793","690029","Present",NA,NA
+"23794","4-Chloro-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl 1-phenyl-1H-tetraazol-5-yl sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-4,7,7-trimethylbicyclo[4.1.0]hept-3-yl 1-phenyl-1H-tetraazol-5-yl sulfide",NA,"CC1(C2C1CC(C(C2)SC3=NN=NN3C4=CC=CC=C4)(C)Cl)C","OQEQNRBNOUUEML-UHFFFAOYSA-N",375779,NA,"PDBC23794","655932","Present",NA,NA
+"23795","4-Chloro-5,7-dinitro-1-oxido-2-(2,4,6-trinitrophenyl)quinazolin-1-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5,7-dinitro-2-(2,4,6-trinitrophenyl)quinazoline...",NA,"C1=C(C=C(C2=C1[N+](=C(N=C2Cl)C3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]","WBTJQXXIBIXQKG-UHFFFAOYSA-N",496006,NA,"PDBC23795","676534","Present",NA,NA
+"23796","4-Chloro-5-(4-chlorophenylcarbamoyl)-2-mercapto-N-(8-chloro-6-trifluoromethyl-1,4-triazolo[4,3-a]pyrid-3-yl)benzenesul fonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-5-(4-chlorophenylcarbamoyl)-2-mercapto-N-(8-chl...",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2Cl)S)S(=O)(=O)NC3=NN=C4N3C=C(C=C4Cl)C(F)(F)F)Cl","OLTBQEDLKGFSTL-UHFFFAOYSA-N",404441,NA,"PDBC23796","720646","Present",NA,NA
+"23797","4-Chloro-5-(pyridin-2-ylthio)-3H-1,2-dithiole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-(pyridin-2-ylthio)-3H-1,2-dithiole-3-thione",NA,"C1=CC=NC(=C1)SC2=C(C(=S)SS2)Cl","BCKPAYQKJKNEJU-UHFFFAOYSA-N",16766538,NA,"PDBC23797","729183","Present",NA,NA
+"23798","4-Chloro-5-butyl-5,6-dihydrobenzo[c][2,7]naphthyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Butyl-4-chloro-5,6-dihydrobenzo[c][2,7]naphthyridine",NA,"CCCCC1C2=C(C=CN=C2Cl)C3=CC=CC=C3N1","TULOOINHMOTZBC-UHFFFAOYSA-N",403406,NA,"PDBC23798","718207","Present",NA,NA
+"23799","4-Chloro-5-ethoxy-3-(trichloromethyl)isothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-ethoxy-3-(trichloromethyl)isothiazole",NA,"CCOC1=C(C(=NS1)C(Cl)(Cl)Cl)Cl","AEGOAPMRBFROFA-UHFFFAOYSA-N",379919,NA,"PDBC23799","665111","Present",NA,NA
+"23800","4-Chloro-5-hydrazino-2-phenyl-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT023330",NA,"C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)NN)Cl","IQWBJSGIFJQBLQ-UHFFFAOYSA-N",250022,NA,"PDBC23800","69010","Present",NA,NA
+"23801","4-Chloro-5-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]-3,4-dihydro-2H-1lambda5-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-3-methyl-1-(2,4,6-triisopropylphenyl)-1$l5-phosphacyclohex-2-ene 1-oxide",NA,"CC1=CP(=O)(CCC1Cl)C2=C(C=C(C=C2C(C)C)C(C)C)C(C)C","YKROHLMVDKALAU-UHFFFAOYSA-N",398925,NA,"PDBC23801","709159","Present",NA,NA
+"23802","4-Chloro-5-methyl-2-(2-propynylthio)-N-(1,3-benzoxazol-2-yl) benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-2-(2-propynylthio)-N-(1,3-benzoxazol-2...",NA,"CC1=CC(=C(C=C1Cl)SCC#C)S(=O)(=O)NC2=NC3=CC=CC=C3O2","RNJYNEHBKFFBCX-UHFFFAOYSA-N",24205036,NA,"PDBC23802","734049","Present",NA,NA
+"23803","4-Chloro-5-methyl-2-(4-nitrophenylhydrazone-N-benzylidenethi o)benzenesulfonylcyanamide potassium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-5-methyl-2-(4-nitrophenylhydrazone-N-benzyliden...",NA,"CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3)S(=O)(=O)NC#N.[K+]","NIVFIRLXPLDKQD-AURQPEIRSA-N",54612547,NA,"PDBC23803","723153","Present",NA,NA
+"23804","4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(2-naphtylidenethio)]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(2-naphtyl...",NA,"CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4C=C3)S(=O)(=O)N","DHMLISYVBDUBAE-COOPMVRXSA-N",9572725,NA,"PDBC23804","724877","Present",NA,NA
+"23805","4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(3-methylbutylidenethio)]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(3-methylb...",NA,"CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])CC(C)C)S(=O)(=O)N","XZOMRMQWAWFWCJ-PYCFMQQDSA-N",9572726,NA,"PDBC23805","724878","Present",NA,NA
+"23806","4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-hydroxybenzylidenethio)]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-hydroxy...",NA,"CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)O)S(=O)(=O)N","QPZQXOBQZDHODX-GFMRDNFCSA-N",135436457,NA,"PDBC23806","724875","Present",NA,NA
+"23807","4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methoxybenzylidenethio)]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methoxy...",NA,"CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)S(=O)(=O)N","XCUYMSJMZMQDSE-DAFNUICNSA-N",9572723,NA,"PDBC23807","724874","Present",NA,NA
+"23808","4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methylbenzylidenethio]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-2-[4-nitrophenylhydrazone N-(4-methylb...",NA,"CC1=CC=C(C=C1)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N","KRBYHTCXVMIRSC-DAFNUICNSA-N",9572722,NA,"PDBC23808","724873","Present",NA,NA
+"23809","4-Chloro-5-methyl-2-sulfanyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-2-sulfanyl-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCCCN2","GRGAGWYKXFSYLN-UHFFFAOYSA-N",384325,NA,"PDBC23809","674009","Present",NA,NA
+"23810","4-Chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2N=CC4=CC=CC=C43","BDZLQPPZJGDKHC-UHFFFAOYSA-N",384313,NA,"PDBC23810","673997","Present",NA,NA
+"23811","4-Chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-1-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-methyl-2-sulfanyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-1-yl)benzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C4=CC=CC=C4N=C3","KKKIACIFDYADPQ-UHFFFAOYSA-N",384314,NA,"PDBC23811","673998","Present",NA,NA
+"23812","4-Chloro-5-methyl-N-(4-phenyl-3,4-dihydroquinazolin-2-yl)-2-sulfanyl-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dihydro-4-phenylquinazoline-2-yl)-2-mercapto-4-chloro-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(C3=CC=CC=C3N2)C4=CC=CC=C4","CNGIIHARYNMZFO-UHFFFAOYSA-N",397058,NA,"PDBC23812","704340","Present",NA,NA
+"23813","4-Chloro-5-morpholin-4-yl-3H-1,2-dithiole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-morpholin-4-yl-3H-1,2-dithiole-3-thione",NA,"C1COCCN1C2=C(C(=S)SS2)Cl","LTTNJFJAUVHRIC-UHFFFAOYSA-N",15618494,NA,"PDBC23813","729185","Present",NA,NA
+"23814","4-Chloro-5-nitro-1H-indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-nitro-1H-indazole",NA,"C1=CC(=C(C2=C1NN=C2)Cl)[N+](=O)[O-]","AXZCWGUWGPLXOR-UHFFFAOYSA-N",393038,NA,"PDBC23814","694316","Present",NA,NA
+"23815","4-Chloro-5-phenoxy-3H-1,2-dithiole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-5-phenoxy-3H-1,2-dithiole-3-thione",NA,"C1=CC=C(C=C1)OC2=C(C(=S)SS2)Cl","LEPYFTHFMLZGBB-UHFFFAOYSA-N",16766044,NA,"PDBC23815","729184","Present",NA,NA
+"23816","4-Chloro-6,11-dimethyl-6,11-dihydro-5H-pyrimido[4,5-b][1]benzoazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-6,11-dimethyl-6,11-dihydro-5H-benzo[b]pyrimido[...",NA,"CC1CC2=C(N=CN=C2Cl)N(C3=CC=CC=C13)C","LPHPJTDOJIUSTN-UHFFFAOYSA-N",132917070,NA,"PDBC23816","782533","Present",NA,NA
+"23817","4-Chloro-6,7,8-triethoxyquinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-6,7,8-triethoxyquinazoline",NA,"CCOC1=C(C(=C2C(=C1)C(=NC=N2)Cl)OCC)OCC","YJGWAHWRTHRYHP-UHFFFAOYSA-N",330473,NA,"PDBC23817","319079","Present",NA,NA
+"23818","4-Chloro-6,7-dimethoxy-2-(2-thienyl)quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-6,7-dimethoxy-2-(2-thienyl)quinazoline",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)Cl)OC","APNDCSCXLJEJSH-UHFFFAOYSA-N",405769,NA,"PDBC23818","723412","Present",NA,NA
+"23819","4-Chloro-6,8,11-trimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-6,8,11-trimethyl-6,11-dihydro-5H-benzo[b]pyrimi...",NA,"CC1CC2=C(N=CN=C2Cl)N(C3=C1C=C(C=C3)C)C","CAKMJCJYSOJDCM-UHFFFAOYSA-N",155808820,NA,"PDBC23819","782535","Present",NA,NA
+"23820","4-Chloro-6-((3-methylenecyclobutyl)methoxy)-2-pyrimidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-6-((3-methylenecyclobutyl)methoxy)-2-pyrimidinamine",NA,"C=C1CC(C1)COC2=CC(=NC(=N2)N)Cl","SSQRIXRMXORZNC-UHFFFAOYSA-N",385274,NA,"PDBC23820","676385","Present",NA,NA
+"23821","4-Chloro-6-(diethylamino)-N,N-diethyl-2-oxo-2H-pyran-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-6-(diethylamino)-N,N-diethyl-2-oxo-2H-pyran-3-carboxamide",NA,"CCN(CC)C1=CC(=C(C(=O)O1)C(=O)N(CC)CC)Cl","VRVIOKFIBFDHJU-UHFFFAOYSA-N",375434,NA,"PDBC23821","655157","Present",NA,NA
+"23822","4-Chloro-6-(phenyldiazenyl)-2-pyrimidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-6-(phenyldiazenyl)-2-pyrimidinamine",NA,"C1=CC=C(C=C1)N=NC2=CC(=NC(=N2)N)Cl","RQBARAQDBABCMM-UHFFFAOYSA-N",387683,NA,"PDBC23822","681709","Present",NA,NA
+"23823","4-Chloro-6-propylsulfanylpyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-6-(propylsulfanyl)pyrimidin-2-amine",NA,"CCCSC1=CC(=NC(=N1)N)Cl","WNAYBJUQBFQPPT-UHFFFAOYSA-N",237629,NA,"PDBC23823","41323","Present",NA,NA
+"23824","4-Chloro-8-methoxy-2,6,11-trimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-8-methoxy-2,6,11-trimethyl-6,11-dihydro-5H-benz...",NA,"CC1CC2=C(N=C(N=C2Cl)C)N(C3=C1C=C(C=C3)OC)C","WPLWGOVJGCMCNE-UHFFFAOYSA-N",155810275,NA,"PDBC23824","782539","Present",NA,NA
+"23825","4-Chloro-8-methoxy-6,11-dimethyl-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-8-methoxy-6,11-dimethyl-6,11-dihydro-5H-benzo[b...",NA,"CC1CC2=C(N=CN=C2Cl)N(C3=C1C=C(C=C3)OC)C","PQUFKMXLZLNEQG-UHFFFAOYSA-N",155810218,NA,"PDBC23825","782537","Present",NA,NA
+"23826","4-Chloro-N''-guanidino-N-phenylimino-benzamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-N''-guanidino-N-phenylimino-benzamidine",NA,"C1=CC=C(C=C1)N=NC(=NN=C(N)N)C2=CC=C(C=C2)Cl","JFIGKXRBONWCTJ-IWHPYAIPSA-N",6145975,NA,"PDBC23826","117353","Present",NA,NA
+"23827","4-Chloro-N'-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N'-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)benzohydrazide",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=CC=C(C=C3)Cl","ZFTUJVILWGKJFN-CIAFOILYSA-N",9571389,NA,"PDBC23827","651699","Present",NA,NA
+"23828","4-Chloro-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide",NA,"CC(=NNS(=O)(=O)C1=CC=C(C=C1)Cl)CN2C(=O)C3=CC=CC=C3C2=O","UGYNQLYSUIBXKM-YBFXNURJSA-N",9555864,NA,"PDBC23828","643513","Present",NA,NA
+"23829","4-Chloro-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N'-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)benzenesulfonohydrazide",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CC=NNS(=O)(=O)C3=CC=C(C=C3)Cl","LBUPSHDEHNNVLU-GIJQJNRQSA-N",9555825,NA,"PDBC23829","637082","Present",NA,NA
+"23830","4-Chloro-N'-(2-hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N'-(2-hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)benzenesulfonohydrazide",NA,"C1=CC(=CC=C1S(=O)(=O)NN=CC2=C(C(=CC(=C2)I)[N+](=O)[O-])O)Cl","LCZSKHLJRWMJIU-FRKPEAEDSA-N",135429934,NA,"PDBC23830","620304","Present",NA,NA
+"23831","4-Chloro-N'-(4,6-dioxo-1H-pyrimidin-2-yl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N'-(4,6-dioxo-1H-pyrimidin-2-yl)benzenesulfonohydrazide",NA,"C1C(=O)NC(=NNS(=O)(=O)C2=CC=C(C=C2)Cl)NC1=O","MSVUIFJLFKHHEV-UHFFFAOYSA-N",135450453,NA,"PDBC23831","687819","Present",NA,NA
+"23832","4-Chloro-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,"CS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)Cl","TVUKCEGAUXTDJL-UHFFFAOYSA-N",367385,NA,"PDBC23832","637074","Present",NA,NA
+"23833","4-Chloro-N'-[(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)amino]benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N'-[(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)amino]benzenecarboximidamide",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NN=C(C3=CC=C(C=C3)Cl)N","HULABASVAFSTPH-UHFFFAOYSA-N",54608683,NA,"PDBC23833","674021","Present",NA,NA
+"23834","4-Chloro-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine",NA,"CC1=C(OC2=C1C(=NC(=N2)N(C)C)Cl)C","XFJDQRNARUDJLO-UHFFFAOYSA-N",389700,NA,"PDBC23834","686266","Present",NA,NA
+"23835","4-Chloro-N,N-dimethyl-5,6-diphenylfuro[2,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N,N-dimethyl-5,6-diphenylfuro[2,3-d]pyrimidin-2-amine",NA,"CN(C)C1=NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C(=N1)Cl","FIJYMEBCCPHXOU-UHFFFAOYSA-N",389705,NA,"PDBC23835","686271","Present",NA,NA
+"23836","4-Chloro-N-((1Z)-hydrazino{2-[6-(trifluoromethyl)pyridin-2-yl]hydrazino}methylene)-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-2-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-3-[[6-(trifluoromethyl)pyridin-2-yl]amino]guanidine",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C(NN)NNC2=CC=CC(=N2)C(F)(F)F","UJSGNXMWDWTENE-UHFFFAOYSA-N",6053269,NA,"PDBC23836","674008","Present",NA,NA
+"23837","4-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-((4,6-dimethyl-2-quinolinyl)methylene)aniline",NA,"CC1=CC2=C(C=C1)N=C(C=C2C)C=NC3=CC=C(C=C3)Cl","BZLYNWGDDQRWPR-UHFFFAOYSA-N",381036,NA,"PDBC23837","667057","Present",NA,NA
+"23838","4-Chloro-N-((4-methyl-1-piperazinyl)carbothioyl)-N-phenylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-((4-methyl-1-piperazinyl)carbothioyl)-N-phenylbenzamide",NA,"CN1CCN(CC1)C(=S)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl","PCOLAADUXHPBDI-UHFFFAOYSA-N",376049,NA,"PDBC23838","656448","Present",NA,NA
+"23839","4-Chloro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,"CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)Cl","BYNHVIFASNCTLV-UHFFFAOYSA-N",369938,NA,"PDBC23839","642305","Present",NA,NA
+"23840","4-Chloro-N-(1,3-dibenzylimidazolidin-2-ylidene)-5-methyl-2-sulfanyl-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(1,3-dibenzylimidazolidin-2-ylidene)-5-methyl-2-sulfanyl-benzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C2N(CCN2CC3=CC=CC=C3)CC4=CC=CC=C4","PWFWRTNVGBAAPG-UHFFFAOYSA-N",397056,NA,"PDBC23840","704338","Present",NA,NA
+"23841","4-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(1-(4-pyridinyl)ethylidene)aniline",NA,"CC(=NC1=CC=C(C=C1)Cl)C2=CC=NC=C2","XSSPWQZOHMSJKP-UHFFFAOYSA-N",383457,NA,"PDBC23841","671843","Present",NA,NA
+"23842","4-Chloro-N-(1-methyl-3-((triphenylphosphoranylidene)hydrazono)-1,3-dihydro-2H-indol-2-ylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NZ)-4-chloro-N-[(3E)-1-methyl-3-[(triphenyl-lambda5-phosphanylidene)hydrazinylidene]indol-2-ylidene]benzenesulfonamide",NA,"CN1C2=CC=CC=C2C(=NN=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C1=NS(=O)(=O)C6=CC=C(C=C6)Cl","PILOWEQJHPUQKE-LRMUHLAZSA-N",9570052,NA,"PDBC23842","635980","Present",NA,NA
+"23843","4-Chloro-N-(1-pyridin-4-ylethyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[1-(4-pyridyl)ethyl]aniline",NA,"CC(C1=CC=NC=C1)NC2=CC=C(C=C2)Cl","GNIUMVWWCXFKNZ-UHFFFAOYSA-N",383452,NA,"PDBC23843","671838","Present",NA,NA
+"23844","4-Chloro-N-(2-hydroxyethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DB08082",NA,"C1=CC(=CC=C1C(=O)NCCO)Cl","GBARCMIFTACERW-UHFFFAOYSA-N",233979,NA,"PDBC23844","33145","Present",NA,NA
+"23845","4-Chloro-N-(3-oxo-1$l^{3},2-benziodoxol-1-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(3-oxo-1$l^{3},2-benziodoxol-1-yl)benzamide",NA,"C1=CC=C2C(=C1)C(=O)OI2NC(=O)C3=CC=C(C=C3)Cl","XEARNOJGFKQFGY-UHFFFAOYSA-N",390372,NA,"PDBC23845","687714","Present",NA,NA
+"23846","4-Chloro-N-(3H-imidazo[1,5-a]benzimidazol-1-yl)-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(3H-imidazo[1,5-a]benzimidazol-1-yl)-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCC3=NC4=CC=CC=C4N32","PZPKZGOUEZNQNG-UHFFFAOYSA-N",393937,NA,"PDBC23846","696909","Present",NA,NA
+"23847","4-Chloro-N-(3H-imidazo[4,5-b]pyridin-2-yl)-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(3H-imidazo[4,5-b]pyridin-2-yl)-2-mercapto-5-...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(N2)C=CC=N3","WLWSYRALDJIRQB-UHFFFAOYSA-N",397057,NA,"PDBC23847","704339","Present",NA,NA
+"23848","4-Chloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(trifluoromethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4...",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","UUIFTVPJXMQLLR-UHFFFAOYSA-N",56649573,NA,"PDBC23848","753188","Present",NA,NA
+"23849","4-Chloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3-(trifluoromethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-N-(4-(3-(4-chloro-3-methoxyphenyl)-4-(pyridin-4...",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","QAYJETRMHQAPHA-UHFFFAOYSA-N",56649575,NA,"PDBC23849","753187","Present",NA,NA
+"23850","4-Chloro-N-(4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=CN2C3=CC=C(C=C3)Cl","RNYNPYIWKBXRFL-UHFFFAOYSA-N",378479,NA,"PDBC23850","661079","Present",NA,NA
+"23851","4-Chloro-N-(4-methoxyphenyl)benzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABBYNMLDUKOKRO-UHFFFAOYSA-N",NA,"COC1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)Cl","ABBYNMLDUKOKRO-UHFFFAOYSA-N",385389,NA,"PDBC23851","676563","Present",NA,NA
+"23852","4-Chloro-N-(4-methylphenyl)-N-(3-{4-[(E)-(4-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanoyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(4-methylphenyl)-N-[3-[4-[(4-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanoyl]benzamide",NA,"CC1=CC=C(C=C1)N(C(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=C(C=C5)Cl","LVROGXZBMYMMQI-UHFFFAOYSA-N",370459,NA,"PDBC23852","643590","Present",NA,NA
+"23853","4-Chloro-N-(4-phenyl-1,2,5-oxadiazol-3-yl)dithiazol-5-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(4-phenyl-1,2,5-oxadiazol-3-yl)dithiazol-5-imine",NA,"C1=CC=C(C=C1)C2=NON=C2N=C3C(=NSS3)Cl","WCIRXCZEQPSVTH-UHFFFAOYSA-N",389851,NA,"PDBC23853","686483","Present",NA,NA
+"23854","4-Chloro-N-(5,5-dimethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(5,5-dimethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCC(CN2)(C)C","ZWNXHDMZYQHODZ-UHFFFAOYSA-N",384326,NA,"PDBC23854","674010","Present",NA,NA
+"23855","4-Chloro-N-(5-fluoro-3,4-dihydro-2-quinazolinyl)-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(5-fluoro-3,4-dihydro-2-quinazolinyl)-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCC3=C(N2)C=CC=C3F","ZRAASOQUDUYBQO-UHFFFAOYSA-N",393938,NA,"PDBC23855","696910","Present",NA,NA
+"23856","4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(5-hydroxycarbamoyl-pentyl)-benzamide",NA,"C1=CC(=CC=C1C(=O)NCCCCCC(=O)NO)Cl","YYCQNZBMCNSCKG-UHFFFAOYSA-N",403373,NA,"PDBC23856","718168","Present",NA,NA
+"23857","4-Chloro-N-(5-imino-1-phenyl-2,5-dihydro-1H-1,2,4-triazol-3-yl)-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Amino-1-phenyl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=CC=CC=C3","VSKAITXBYUPJDI-UHFFFAOYSA-N",384317,NA,"PDBC23857","674001","Present",NA,NA
+"23858","4-Chloro-N-(5-imino-1-pyridin-2-yl-2,5-dihydro-1H-1,2,4-triazol-3-yl)-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=CC=CC=N3","OGAWKMXCINNTTQ-UHFFFAOYSA-N",384318,NA,"PDBC23858","674002","Present",NA,NA
+"23859","4-Chloro-N-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)-5-methyl-2-sulfanyl-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(6-chloro-4-phenyl-3,4-dihydroquinazolin-2-yl)-5-methyl-2-sulfanyl-benzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(C3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4","UWGCENJWPDTUFD-UHFFFAOYSA-N",397059,NA,"PDBC23859","704341","Present",NA,NA
+"23860","4-Chloro-N-(6-chloro-7-methyl-1,4,2-benzodithiazin-3-yl)-N-(dimethylamino)benzesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(6-chloro-7-methyl-1,1-dioxo-1,4,2-benzodithi...",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(N(C)C)S(=O)(=O)C3=CC=C(C=C3)Cl","STCACWIWRZDSJT-UHFFFAOYSA-N",24206071,NA,"PDBC23860","740008","Present",NA,NA
+"23861","4-Chloro-N-(6-ethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(6-ethyl-1,4,5,6-tetrahydro-2-pyrimidinyl)-2-mercapto-5-methylbenzenesulfonamide",NA,"CCC1CCN=C(N1)NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)S","HDQWSHVXUAUTSK-UHFFFAOYSA-N",384327,NA,"PDBC23861","674011","Present",NA,NA
+"23862","4-Chloro-N-(N-(4-chlorophenyl)carbamohydrazonoyl)-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(N-(4-chlorophenyl)carbamohydrazonoyl)-2-merc...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NN","PJTZIWQOFDFWRU-UHFFFAOYSA-N",5480392,NA,"PDBC23862","674007","Present",NA,NA
+"23863","4-Chloro-N-[(4-chlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[(4-chlorobenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,"C1=CC(=CN=C1)CN(C(=O)C2=CC=C(C=C2)Cl)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)Cl","UOBPGGJCHDCLKU-UHFFFAOYSA-N",401367,NA,"PDBC23863","714679","Present",NA,NA
+"23864","4-Chloro-N-[(E)-(10-oxidoacridin-10-ium-9-yl)methyleneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-({(E)-[(4-Chlorophenyl)sulfonyl]diazenyl}methylidene)acridin-10(9H)-ol",NA,"C1=CC=C2C(=C1)C(=CN=NS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4N2O","AKVQBPNDJHCEFA-UHFFFAOYSA-N",363211,NA,"PDBC23864","627889","Present",NA,NA
+"23865","4-Chloro-N-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[(E)-1-(1H-imidazo[4,5-b]pyridin-2-yl)ethylideneamino]benzamide",NA,"CC(=NNC(=O)C1=CC=C(C=C1)Cl)C2=NC3=C(N2)C=CC=N3","HQYIDNSWPZQGPD-AWQFTUOYSA-N",135417302,NA,"PDBC23865","719700","Present",NA,NA
+"23866","4-Chloro-N-[2,3-dichloro-1-[2-(4-methylphenyl)sulfonylhydrazinyl]-4-oxonaphthalen-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[2,3-dichloro-1-[2-(4-methylphenyl)sulfonylhydrazinyl]-4-oxonaphthalen-1-yl]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC2(C3=CC=CC=C3C(=O)C(=C2Cl)Cl)NS(=O)(=O)C4=CC=C(C=C4)Cl","YIXAWKDXQSCELM-UHFFFAOYSA-N",397611,NA,"PDBC23866","705953","Present",NA,NA
+"23867","4-Chloro-N-[2-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-N-(2-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyraz...",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)Cl","SUJWEJXITCOONA-UHFFFAOYSA-N",155807552,NA,"PDBC23867","783561","Present",NA,NA
+"23868","4-Chloro-N-[2-[[4-[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-N-(2-(4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyrazo...",NA,"COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCNS(=O)(=O)C4=CC=C(C=C4)Cl)C5=CC=CC=C5","RMLXPAYQZCHNQK-UHFFFAOYSA-N",155809449,NA,"PDBC23868","783549","Present",NA,NA
+"23869","4-Chloro-N-[3-(4-chlorophenyl)quinoxalin-2-yl]-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-2-mercapto-5-methyl-N-[3-(4-chlorophenyl)quinox...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl","LPXHZSBXBCYGMB-UHFFFAOYSA-N",404442,NA,"PDBC23869","720647","Present",NA,NA
+"23870","4-Chloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[3-(4-chlorophenyl)sulfonylthiophen-2-yl]benzamide",NA,"C1=CC(=CC=C1C(=O)NC2=C(C=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl)Cl","JCRIJYUMBLYPGI-UHFFFAOYSA-N",399370,NA,"PDBC23870","710078","Present",NA,NA
+"23871","4-Chloro-N-[3-(5-chloropyridin-2-yl)-1H-1,2,4-triazol-5-yl]-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[3-(5-chloropyridin-2-yl)-1H-1,2,4-triazol-5-yl]-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)C3=NC=C(C=C3)Cl","CBESXGIJMIPHAO-UHFFFAOYSA-N",384316,NA,"PDBC23871","674000","Present",NA,NA
+"23872","4-Chloro-N-[3-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-N-(3-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyraz...",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)Cl","UVTXIYNOQLNMPV-UHFFFAOYSA-N",155807426,NA,"PDBC23872","787091","Present",NA,NA
+"23873","4-Chloro-N-[3-furfuryl-3,4-dihydro-4-oxoquinazolin-3-yl)-2-m ercapto-5-methyl-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[3-furfuryl-3,4-dihydro-4-oxoquinazolin-3-yl)...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4","GWCWBBJIAQRAOI-UHFFFAOYSA-N",24202749,NA,"PDBC23873","725848","Present",NA,NA
+"23874","4-Chloro-N-[4-(4-chlorobenzoyl)-5-oxo-1,3,4-thiadiazol-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-(4-chlorobenzoyl)-5-oxo-1,3,4-thiadiazol-2-yl]benzamide",NA,"C1=CC(=CC=C1C(=O)NC2=NN(C(=O)S2)C(=O)C3=CC=C(C=C3)Cl)Cl","GCLYTGCLKWDKCR-UHFFFAOYSA-N",399195,NA,"PDBC23874","709857","Present",NA,NA
+"23875","4-Chloro-N-[4-[2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[2-(3-chloro-2-oxo-4-phenylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC=CC=C5)Cl","VPDPUQBQBNFYPF-UHFFFAOYSA-N",402387,NA,"PDBC23875","716299","Present",NA,NA
+"23876","4-Chloro-N-[4-[2-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[2-(3-chloro-2-oxo-4-thiophen-2-ylazetidin-1-yl)-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC=CS5)Cl","UMKKROJMEXWXGO-UHFFFAOYSA-N",402389,NA,"PDBC23876","716301","Present",NA,NA
+"23877","4-Chloro-N-[4-[2-[(Z)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[2-[(Z)-(2-hydroxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=CC4=CC=CC=C4O)Cl","JXNMNOVCKPZDFB-MXAYSNPKSA-N",135436255,NA,"PDBC23877","716294","Present",NA,NA
+"23878","4-Chloro-N-[4-[2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[2-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)C=NC2=NC(=CS2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC(=C(C=C4)Cl)OC)O","IKPGTGWYZWKNEJ-ZMFRSBBQSA-N",135436256,NA,"PDBC23878","716296","Present",NA,NA
+"23879","4-Chloro-N-[4-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[2-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=CC=C5O)Cl","UKPHYSSKYLMCEI-UHFFFAOYSA-N",402393,NA,"PDBC23879","716305","Present",NA,NA
+"23880","4-Chloro-N-[4-[2-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[2-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,"CC1C(=O)N(C(S1)C2=CC=CC=C2O)C3=NC(=CS3)C4=CC=C(C=C4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC","USPHNCUDUYAUCJ-UHFFFAOYSA-N",402398,NA,"PDBC23880","716310","Present",NA,NA
+"23881","4-Chloro-N-[4-[2-[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[2-[3-chloro-2-(2-hydroxyphenyl)-4-oxoazetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC=CC=C5O)Cl","YJVKYMHMLRIJPY-UHFFFAOYSA-N",402388,NA,"PDBC23881","716300","Present",NA,NA
+"23882","4-Chloro-N-[4-[2-[3-chloro-2-oxo-4-(3-phenoxyphenyl)azetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[2-[3-chloro-2-oxo-4-(3-phenoxyphenyl)azetidin-1-yl]-1,3-thiazol-4-yl]phenyl]-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(C(C4=O)Cl)C5=CC(=CC=C5)OC6=CC=CC=C6)Cl","NMCVKFSTCRQUOH-UHFFFAOYSA-N",402390,NA,"PDBC23882","716302","Present",NA,NA
+"23883","4-Chloro-N-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N=CC4=CC=CC=C4O)Cl","PFTWHVVQCBYRMO-UHFFFAOYSA-N",402731,NA,"PDBC23883","716925","Present",NA,NA
+"23884","4-Chloro-N-[4-[4-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[4-[2-(2-hydroxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide",NA,"CC1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC=C(C=C3)C4=CSC(=N4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC","GGLJBOVSAPXPSU-UHFFFAOYSA-N",402743,NA,"PDBC23884","716937","Present",NA,NA
+"23885","4-Chloro-N-[4-[4-[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[4-[4-[2-(4-hydroxy-3-methoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]phenyl]-1,3-thiazol-2-yl]-3-methoxybenzenesulfonamide",NA,"CC1C(=O)N(C(S1)C2=CC(=C(C=C2)O)OC)C3=CC=C(C=C3)C4=CSC(=N4)NS(=O)(=O)C5=CC(=C(C=C5)Cl)OC","LKZUQZYDTLIUHD-UHFFFAOYSA-N",402744,NA,"PDBC23885","716938","Present",NA,NA
+"23886","4-Chloro-N-[5-(4-chloroanilino)-1H-1,2,4-triazol-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-{3-[(4-chlorophenyl)amino]-1H-1,2,4-triazol-5-yl}-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=C(C=C3)Cl","GRYIAOMDOBRKIU-UHFFFAOYSA-N",380929,NA,"PDBC23886","666715","Present",NA,NA
+"23887","4-Chloro-N-[5-oxo-4-(pyridine-3-carbonyl)-1,3,4-thiadiazol-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[5-oxo-4-(pyridine-3-carbonyl)-1,3,4-thiadiazol-2-yl]benzamide",NA,"C1=CC(=CN=C1)C(=O)N2C(=O)SC(=N2)NC(=O)C3=CC=C(C=C3)Cl","WDIMPSVYDLVGSS-UHFFFAOYSA-N",401245,NA,"PDBC23887","714452","Present",NA,NA
+"23888","4-Chloro-N-[6-chloro-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[6-chloro-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C=C(C=C3C(F)(F)F)Cl","SMHTWIVCTDYRNM-UHFFFAOYSA-N",384310,NA,"PDBC23888","673994","Present",NA,NA
+"23889","4-Chloro-N-[8-chloro-6-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN=C3N2C=C(C=C3Cl)C(F)(F)F","AFTIRELMMNXEKC-UHFFFAOYSA-N",384309,NA,"PDBC23889","673993","Present",NA,NA
+"23890","4-Chloro-N-[[(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[[(7Z)-7-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-6-(2,4-dichloro-5-fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline",NA,"C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=NN4C(=NN=C4S3)CNC5=CC=C(C=C5)Cl)C6=CC(=C(C=C6Cl)Cl)F)Cl","XGEGKMJJKHCDPJ-GATIEOLUSA-N",5472467,NA,"PDBC23890","719148","Present",NA,NA
+"23891","4-Chloro-N-[[5-[8-[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[[5-[8-[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-yl]methyl]aniline",NA,"C1=CC(=CC=C1NCC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)CNC4=CC=C(C=C4)Cl)Cl","USJNAJVKQZGCKT-UHFFFAOYSA-N",395649,NA,"PDBC23891","700431","Present",NA,NA
+"23892","4-Chloro-N-[[5-[[3-chloro-4-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-1,3,4-oxadiazol-2-yl]methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[[5-[[3-chloro-4-[[5-[(4-chloroanilino)methyl]-1,3,4-oxadiazol-2-yl]methoxy]phenoxy]methyl]-1,3,4-oxadiazol-2-yl]methyl]aniline",NA,"C1=CC(=CC=C1NCC2=NN=C(O2)COC3=CC(=C(C=C3)OCC4=NN=C(O4)CNC5=CC=C(C=C5)Cl)Cl)Cl","GOOBLNIBQYYRPP-UHFFFAOYSA-N",403741,NA,"PDBC23892","719151","Present",NA,NA
+"23893","4-Chloro-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[diethoxyphosphoryl-(4-fluorophenyl)methyl]aniline",NA,"CCOP(=O)(C(C1=CC=C(C=C1)F)NC2=CC=C(C=C2)Cl)OCC","DHXFWTGNJAEWPY-UHFFFAOYSA-N",385491,NA,"PDBC23893","676740","Present",NA,NA
+"23894","4-Chloro-N-cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide",NA,"C1CCC(CC1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)N3CCN(CC3)C4=CC=CC=N4","WRFVDCBWCNFYLJ-UHFFFAOYSA-N",376064,NA,"PDBC23894","656463","Present",NA,NA
+"23895","4-Chloro-N-cyclohexyl-N-(4-methylpiperazine-1-carbothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-cyclohexyl-N-(4-methylpiperazine-1-carbothioyl)benzamide",NA,"CN1CCN(CC1)C(=S)N(C2CCCCC2)C(=O)C3=CC=C(C=C3)Cl","WDSIZBBDZCEKOQ-UHFFFAOYSA-N",376046,NA,"PDBC23895","656445","Present",NA,NA
+"23896","4-Chloro-N-cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide",NA,"C1CCC(CC1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)N3CCN(CC3)C4=CC=CC=C4","SNLUEZLITDQYGH-UHFFFAOYSA-N",376055,NA,"PDBC23896","656454","Present",NA,NA
+"23897","4-Chloro-N-mesitylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-mesitylbenzenesulfinamide",NA,"CC1=CC(=C(C(=C1)C)NS(=O)C2=CC=C(C=C2)Cl)C","LDBGOSHNIGEFLX-UHFFFAOYSA-N",375383,NA,"PDBC23897","655054","Present",NA,NA
+"23898","4-Chloro-N-methyl-2-(2-nitrophenyl)sulfonylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-methyl-2-[(2-nitrophenyl)sulfonyl]aniline",NA,"CNC1=C(C=C(C=C1)Cl)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","AQASETCATFZLQH-UHFFFAOYSA-N",381407,NA,"PDBC23898","667952","Present",NA,NA
+"23899","4-Chloro-N-methyl-2-nitro-N-[(E)-4-quinolylmethyleneamino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-methyl-2-nitro-N-[(E)-4-quinolylmethyleneamino]aniline",NA,"CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N=CC2=CC=NC3=CC=CC=C23","JPLZHBVRIVEUKV-RGVLZGJSSA-N",9571424,NA,"PDBC23899","659332","Present",NA,NA
+"23900","4-Chloro-N-methyl-2-nitro-N-[(E)-8-quinolylmethyleneamino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-methyl-2-nitro-N-[(E)-8-quinolylmethyleneamino]aniline",NA,"CN(C1=C(C=C(C=C1)Cl)[N+](=O)[O-])N=CC2=CC=CC3=C2N=CC=C3","CGUAMIZVSFWBKM-RGVLZGJSSA-N",9571425,NA,"PDBC23900","659333","Present",NA,NA
+"23901","4-Chloro-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,"CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=C(C=C1)Cl","KDBKOBDLYDLTPH-UHFFFAOYSA-N",368842,NA,"PDBC23901","640167","Present",NA,NA
+"23902","4-Chloro-N-methyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-methyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide",NA,"CN(C(=O)C1=CC=C(C=C1)Cl)C(=S)N2CCN(CC2)C3=CC=CC=N3","ODPKTLWURVESGQ-UHFFFAOYSA-N",376061,NA,"PDBC23902","656460","Present",NA,NA
+"23903","4-Chloro-N-methyl-N-(4-methylpiperazine-1-carbothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-methyl-N-(4-methylpiperazine-1-carbothioyl)benzamide",NA,"CN1CCN(CC1)C(=S)N(C)C(=O)C2=CC=C(C=C2)Cl","WCBMSMFDYLKMFF-UHFFFAOYSA-N",376043,NA,"PDBC23903","656442","Present",NA,NA
+"23904","4-Chloro-N-methyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-methyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide",NA,"CN(C(=O)C1=CC=C(C=C1)Cl)C(=S)N2CCN(CC2)C3=CC=CC=C3","WAAPLZPLSTWVIN-UHFFFAOYSA-N",376052,NA,"PDBC23904","656451","Present",NA,NA
+"23905","4-Chloro-N-phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)benzamide",NA,"C1CN(CCN1C2=CC=CC=N2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","LNSDKDWYQLUEIS-UHFFFAOYSA-N",376067,NA,"PDBC23905","656466","Present",NA,NA
+"23906","4-Chloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-phenyl-N-(1-piperidinylcarbonyl)benzamide",NA,"C1CCN(CC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl","CWRGBKCHQVQJLG-UHFFFAOYSA-N",391215,NA,"PDBC23906","690112","Present",NA,NA
+"23907","4-Chloro-N-phenyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-phenyl-N-(4-phenylpiperazine-1-carbothioyl)benzamide",NA,"C1CN(CCN1C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","ODFWILWVXGXJRJ-UHFFFAOYSA-N",376058,NA,"PDBC23907","656457","Present",NA,NA
+"23908","4-Chloro-N-phenylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-phenylbenzenesulfinamide",NA,"C1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)Cl","GBJXBJOPDAAFBD-UHFFFAOYSA-N",385380,NA,"PDBC23908","676554","Present",NA,NA
+"23909","4-Chloro-n-(6-chloro-7-methyl-1,1-dioxo-1,4,2-benzodithiazin-3-yl)benzenesulfonamidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-(6-chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)benzenesulfonamide",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NS(=O)(=O)C3=CC=C(C=C3)Cl","FSPSDFKNKUSJDP-UHFFFAOYSA-N",405682,NA,"PDBC23909","723139","Present",NA,NA
+"23910","4-Chlorobenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chlorobenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2NN=CC4=CC=C(C=C4)Cl","NIGOYNDAWKIPBD-OEAKJJBVSA-N",9571455,NA,"PDBC23910","666360","Present",NA,NA
+"23911","4-Chlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chlorobenzaldehyde (7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)hydrazone",NA,"CC1CCC2=C(C1)SC3=NC=NC(=C23)NN=CC4=CC=C(C=C4)Cl","SWYIRPDKBLMFEC-LSFURLLWSA-N",9555913,NA,"PDBC23911","653512","Present",NA,NA
+"23912","4-Chlorobenzene-1-sulfonic acid--cadmium (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cadmium;4-chlorobenzenesulfonic acid",NA,"C1=CC(=CC=C1S(=O)(=O)O)Cl.[Cd]","AARFAEZMSJDYEF-UHFFFAOYSA-N",54603804,NA,"PDBC23912","13162","Present",NA,NA
+"23913","4-Chlorobenzoic acid (2-benzylidenecyclohexylidene)amino ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629625",NA,"C1CCC(=NOC(=O)C2=CC=C(C=C2)Cl)C(=CC3=CC=CC=C3)C1","RVMAFJBKFCVPEA-WZBLNXIKSA-N",6367748,NA,"PDBC23913","629625","Present",NA,NA
+"23914","4-Chlorophenyl 1-methyl-4-nitro-1h-imidazole-5-sulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Chlorophenyl) 3-methyl-5-nitroimidazole-4-sulfonate",NA,"CN1C=NC(=C1S(=O)(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-]","VCBIEXLZPZYLOK-UHFFFAOYSA-N",236063,NA,"PDBC23914","38086","Present",NA,NA
+"23915","4-Chlorophenyl 3-(2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino)-1-phenyl-2-propenyl sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-3-(4-Chlorophenyl)sulfanyl-3-phenylprop-1-enyl]-2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazine",NA,"C1=CC=C(C=C1)C2C(=NNC(=N2)NNC=CC(C3=CC=CC=C3)SC4=CC=C(C=C4)Cl)C5=CC=CC=C5","TZERWADBGZRHHE-QZQOTICOSA-N",5862201,NA,"PDBC23915","640631","Present",NA,NA
+"23916","4-Chlorophenyl 3-(4-methylbenzoyl)-2-oxo-3-butenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chlorophenyl 3-(4-methylbenzoyl)-2-oxo-3-butenoate",NA,"CC1=CC=C(C=C1)C(=O)C(=C)C(=O)C(=O)OC2=CC=C(C=C2)Cl","NALSGSAXTMDTKI-UHFFFAOYSA-N",366801,NA,"PDBC23916","635573","Present",NA,NA
+"23917","4-Chlorophenyl-bis(2-hydroxy-1-naphthyl)methane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT029223",NA,"C1=CC=C2C(=C1)C=CC(=C2C(C3=CC=C(C=C3)Cl)C4=C(C=CC5=CC=CC=C54)O)O","LQWQJJSAUKFOOO-UHFFFAOYSA-N",47966,NA,"PDBC23917","363003","Present",NA,NA
+"23918","4-Chlorophenylaminosulfonyl carbamic acid 2,4-dichlorobenzylester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chlorophenylaminosulfonyl carbamic acid 2,4-dichlorobe...",NA,"C1=CC(=CC=C1NS(=O)(=O)NC(=O)OCC2=C(C=C(C=C2)Cl)Cl)Cl","BQWONWHDDKMKKD-UHFFFAOYSA-N",405107,NA,"PDBC23918","722061","Present",NA,NA
+"23919","4-Chloroquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACT01953",NA,"C1=CC2=C(C=CN=C2C(=C1)O)Cl","DEPRJVQVGXOXRN-UHFFFAOYSA-N",384164,NA,"PDBC23919","673455","Present",NA,NA
+"23920","4-Chromanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chromanol",NA,"C1COC2=CC=CC=C2C1O","MGSHXMOLUWTMGP-UHFFFAOYSA-N",92890,NA,"PDBC23920","654113","Present",NA,NA
+"23921","4-Cuban-1-yl-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cuban-1-yl-1,2,4-triazole",NA,"C1=NN=CN1C23C4C5C2C6C5C4C36","HGDGNRSTKUWLOT-UHFFFAOYSA-N",383857,NA,"PDBC23921","672599","Present",NA,NA
+"23922","4-Cuban-1-yl-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cuban-1-yl-1H-pyrazole",NA,"C1=C(C=NN1)C23C4C5C2C6C5C4C36","LGHLSFXNRSVCLU-UHFFFAOYSA-N",383859,NA,"PDBC23922","672601","Present",NA,NA
+"23923","4-Cyano-2,6,8-tris(2,2-dimethylpropanoyl)-N,N-diisopropyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyano-2,6,8-tris(2,2-dimethylpropanoyl)-N,N-diisopropyl-1-cubanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)C(C)(C)C)C#N)C(=O)C(C)(C)C)C(=O)C(C)(C)C","HACXXDNMYQPGGH-UHFFFAOYSA-N",386910,NA,"PDBC23923","679811","Present",NA,NA
+"23924","4-Cyano-2,6-diiodo-N,N-diisopropyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyano-2,6-diiodo-N,N-diisopropyl-1-cubanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25I)C#N)I","ZQAYMOXEXYPXDC-UHFFFAOYSA-N",369204,NA,"PDBC23924","640910","Present",NA,NA
+"23925","4-Cyano-N,N-diisopropyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyano-N,N-diisopropyl-1-cubanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C#N","MYHHWNFVUMZQFI-UHFFFAOYSA-N",369216,NA,"PDBC23925","640922","Present",NA,NA
+"23926","4-Cyano-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyano-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,"CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)C#N","PCAROGRDFPJYNB-UHFFFAOYSA-N",369943,NA,"PDBC23926","642310","Present",NA,NA
+"23927","4-Cyano-N-isopropyl-N-methyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyano-N-isopropyl-N-methyl-1-cubanecarboxamide",NA,"CC(C)N(C)C(=O)C12C3C4C1C5C2C3C45C#N","AONROARTWYDPPF-UHFFFAOYSA-N",386906,NA,"PDBC23927","679806","Present",NA,NA
+"23928","4-Cyanomethyl-1-methyl-4H-pyrazolo[1,5-a]indolium trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyanomethyl-1-methyl-4H-pyrazolo[1,5-a]indolium triflu...",NA,"C[N+]1=CC=C2N1C3=CC=CC=C3C2=CC#N.C(F)(F)(F)S(=O)(=O)[O-]","WTCDPFCXHYDEBD-AVHZNCSWSA-M",5472727,NA,"PDBC23928","721153","Present",NA,NA
+"23929","4-Cyanpyyridinium-trans-tetrachlorobis-4- cyanpyridineru...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyanpyyridinium-trans-tetrachlorobis-4- cyanpyridineru...",NA,NA,NA,NA,NA,"PDBC23929","630135","Present",NA,NA
+"23930","4-Cycloheptyl-N-(1-pyridin-2-ylethylideneamino)piperazine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-376265",NA,"CC(=NNC(=S)N1CCN(CC1)C2CCCCCC2)C3=CC=CC=N3","ZGAVNXQAROBPJG-LTGZKZEYSA-N",5351332,NA,"PDBC23930","376265","Present",NA,NA
+"23931","4-Cyclohexene-1,2-diethanol, 1,2-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyclohexene-1,2-diethanol, 1,2-dimethoxy-",NA,"COC1(CC=CCC1(CCO)OC)CCO","NYEKRPWBZXTXCS-UHFFFAOYSA-N",382551,NA,"PDBC23931","670161","Present",NA,NA
+"23932","4-Cyclopentyl-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyclopentyl-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1C2CCCC2","XNILONKCNMYXMA-UHFFFAOYSA-N",386151,NA,"PDBC23932","677783","Present",NA,NA
+"23933","4-Cyclopentylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyclopentylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,"C1CCC(C1)N=C2C3CSCN3C(=S)C4=CC=CC=C4N2","GEPQSGXJJZUBOE-UHFFFAOYSA-N",135442870,NA,"PDBC23933","683489","Present",NA,NA
+"23934","4-Cyclopropyl-1-methyl-1-oxido-piperidin-1-ium-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyclopropyl-1-methyl-1-oxido-piperidin-1-ium-4-ol",NA,"C[N+]1(CCC(CC1)(C2CC2)O)[O-]","GZWQDZXTVKOLCT-UHFFFAOYSA-N",388485,NA,"PDBC23934","683440","Present",NA,NA
+"23935","4-Cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyclopropyl-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1C2CC2","OLMQFIGUQCDKMI-UHFFFAOYSA-N",384779,NA,"PDBC23935","675215","Present",NA,NA
+"23936","4-Dedimethylamino-6-demethyl-6-deoxytetracycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COL-3",NA,"C1C2CC3=C(C(=CC=C3)O)C(=C2C(=O)C4(C1CC(=O)C(=C4O)C(=O)N)O)O","NBRQRXRBIHVLGI-BKMMKEHRSA-N",54679015,NA,"PDBC23936","683551","Present",NA,NA
+"23937","4-Demethoxyadriamycin HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Medorubicin",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)CO)O)N)O","XVXGYZFARCOVHS-UHFFFAOYSA-N",68837,NA,"PDBC23937","256438","Present",NA,NA
+"23938","4-Demethylcalycopterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Demethylcalycopterone",NA,"COC1=C2C(=C3C(=C1O)C4(C(=C(C(=O)C5=CCC(OC54O3)C6=CC=CC=C6)OC)OC)OC)C(CC(O2)C7=CC=CC=C7)O","FYCQGQNQVPLKBH-HRVMIWGTSA-N",101664523,NA,"PDBC23938","665529","Present",NA,NA
+"23939","4-Di(propan-2-yloxy)phosphoryl-3-N-phenyl-1H-pyrazole-3,5-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Di(propan-2-yloxy)phosphoryl-3-N-phenyl-1H-pyrazole-3,5-diamine",NA,"CC(C)OP(=O)(C1=C(NN=C1NC2=CC=CC=C2)N)OC(C)C","ZBGWFJADAARBKT-UHFFFAOYSA-N",396780,NA,"PDBC23939","703559","Present",NA,NA
+"23940","4-Diazenyl-N,1-bis(3,4-dimethylphenyl)-2,5-dioxopyrrolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Diazenyl-N,1-bis(3,4-dimethylphenyl)-2,5-dioxopyrrolidine-3-carboxamide",NA,"CC1=C(C=C(C=C1)NC(=O)C2C(C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)N=N)C","PJBMAGIDIGOEOY-UHFFFAOYSA-N",358530,NA,"PDBC23940","618538","Present",NA,NA
+"23941","4-Dibenzothiophen-2-yl-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-dibenzo[b,d]thien-2-yl-4-oxobutanoic acid",NA,"C1=CC=C2C(=C1)C3=C(S2)C=CC(=C3)C(=O)CCC(=O)O","UBCRYOFHBJOPSS-UHFFFAOYSA-N",266944,NA,"PDBC23941","105900","Present",NA,NA
+"23942","4-Dichloromethylene-3,5-dimethyl-1-propyl-4h-phosphinine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Dichloromethylidene)-3,5-dimethyl-1-propyl-1,4-dihydrophosphinine 1-oxide",NA,"CCCP1(=O)C=C(C(=C(Cl)Cl)C(=C1)C)C","RRNRVVHZSFOCGF-UHFFFAOYSA-N",368397,NA,"PDBC23942","639388","Present",NA,NA
+"23943","4-Dimethoxyphosphoryl-3-methyl-5aH-furo[2,3-g][1,2]benzoxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Dimethoxyphosphoryl-3-methyl-5aH-furo[2,3-g][1,2]benzoxazol-5-one",NA,"CC1=NOC2=C3C=COC3C(=O)C(=C12)P(=O)(OC)OC","XKNUIBZYIZELAU-UHFFFAOYSA-N",388271,NA,"PDBC23943","682885","Present",NA,NA
+"23944","4-Dimethylamino-2-methylsulfanylbenzo[4,5]imidazo[2,1-b]pyrimido[5,4-f]-[1,3,4]thiadazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-5-methylsulfanyl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine",NA,"CN(C)C1=C2C=NN3C4=CC=CC=C4N=C3SC2=NC(=N1)SC","LPZFNPDRUPIZGY-UHFFFAOYSA-N",394380,NA,"PDBC23944","697780","Present",NA,NA
+"23945","4-Dipentylcarbamoyl-4-[(1H-indole-2-carbonyl)-amino]-butyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-4-Dipentylcarbamoyl-4-[(1H-indole-2-carbonyl)-amino]-butyric acid",NA,"CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC2=CC=CC=C2N1","ZCLCUGHPNSTPGZ-FQEVSTJZSA-N",367893,NA,"PDBC23945","638070","Present",NA,NA
+"23946","4-Epi-7-aza-phomopsolide E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Epi-7-aza-phomopsolide E",NA,"CC=C(C)C(=O)OC1C=CC(=O)OC1CNC(=O)C(C)O","XZYKRDKKCJVLNQ-LYDMWOGYSA-N",45028013,NA,"PDBC23946","740608","Present",NA,NA
+"23947","4-Epi-7-oxo-phomopsolide E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Epi-7-oxo-phomopsolide E",NA,"CC=C(C)C(=O)OC1C=CC(=O)OC1COC(=O)C(C)O","FKBITCOIJAFLNT-LYDMWOGYSA-N",11231822,NA,"PDBC23947","740605","Present",NA,NA
+"23948","4-Ethenyl-4a-hydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethenyl-4a-hydroxy-3-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]-3,4,5,6-tetrahydropyrano[3,4-c]pyran-8-one",NA,"C=CC1C(OC=C2C1(CCOC2=O)O)CC3C(C(C(C(O3)CO)O)O)O","CJBJSMYPBGZCNN-UHFFFAOYSA-N",24205264,NA,"PDBC23948","734791","Present",NA,NA
+"23949","4-Ethoxy-2-[(4-fluorophenyl)methyl]-3,9a-dihydrobenzo[f]benzimidazol-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethoxy-2-(4-fluorobenzyl)-1,3a-dihydro-4H-naphtho[2,3-d]imidazol-4-one",NA,"CCOC1=C2C(C(=O)C3=CC=CC=C31)N=C(N2)CC4=CC=C(C=C4)F","IRRZZIBFWBREMM-UHFFFAOYSA-N",372059,NA,"PDBC23949","646922","Present",NA,NA
+"23950","4-Ethoxy-3,4-dihydro-1,3-benzoxazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,3-Benzoxazin-2-one, 3,4-dihydro-4-ethoxy-",NA,"CCOC1C2=CC=CC=C2OC(=O)N1","HHYYBXQYHOIQMU-UHFFFAOYSA-N",335807,NA,"PDBC23950","347194","Present",NA,NA
+"23951","4-Ethoxy-3,4-dihydrobenzo[g][1,3]benzoxazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxy-3,4-dihydro-2H-naphtho[2,3-e][1,3]oxazin-2-one",NA,"CCOC1C2=CC3=CC=CC=C3C=C2OC(=O)N1","RKAJAMTWZXNAJC-UHFFFAOYSA-N",378323,NA,"PDBC23951","660332","Present",NA,NA
+"23952","4-Ethoxy-3-nitropyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-27244",NA,"CCOC1=C(C=NC=C1)[N+](=O)[O-]","ABOSMHRLVUWEMT-UHFFFAOYSA-N",356305,NA,"PDBC23952","611545","Present",NA,NA
+"23953","4-Ethoxy-6,7,8,9,9a,9b-hexahydrobenzo[e][2]benzofuran-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxy-6,7,8,9,9a,9b-hexahydrobenzo[e][2]benzofuran-1,3-dione",NA,"CCOC1=C2C(C3CCCCC3=C1)C(=O)OC2=O","XXIFVSPMJQCNLY-UHFFFAOYSA-N",359542,NA,"PDBC23953","620525","Present",NA,NA
+"23954","4-Ethoxy-6H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxy-6H-pyrrolo[1,2-a]thieno[3,2-f][1,4]diazepin-6-ol",NA,"CCOC1=NC(C2=CC=CN2C3=C1C=CS3)O","UWQRMWHFXYIHDQ-UHFFFAOYSA-N",392649,NA,"PDBC23954","693228","Present",NA,NA
+"23955","4-Ethoxy-9-(4-ethoxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxy-9-(4-ethoxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"CCOC1=C2CC3COC(=O)C3C(C2=CC4=C1OCO4)C5=CC(=C(C(=C5)OC)OCC)OC","NXYKCHNYALSBOK-UHFFFAOYSA-N",234897,NA,"PDBC23955","35729","Present",NA,NA
+"23956","4-Ethoxy-N-((6-methyl-2-quinolinyl)methylene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxy-N-((6-methyl-2-quinolinyl)methylene)aniline",NA,"CCOC1=CC=C(C=C1)N=CC2=NC3=C(C=C2)C=C(C=C3)C","BMLYKYGVFJCHFP-UHFFFAOYSA-N",364425,NA,"PDBC23956","630685","Present",NA,NA
+"23957","4-Ethoxy-N-(2-quinolinylmethylene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxy-N-(2-quinolinylmethylene)aniline",NA,"CCOC1=CC=C(C=C1)N=CC2=NC3=CC=CC=C3C=C2","FDYFZVWSVYVMEW-UHFFFAOYSA-N",364173,NA,"PDBC23957","629873","Present",NA,NA
+"23958","4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline",NA,"CCOC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC","KEWFCLDAAYJNMJ-UHFFFAOYSA-N",373806,NA,"PDBC23958","650769","Present",NA,NA
+"23959","4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxy-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride",NA,"CCOC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","UJHYHKHPOOTHGZ-UHFFFAOYSA-N",373807,NA,"PDBC23959","650770","Present",NA,NA
+"23960","4-Ethoxy-N-(3,4,5-trimethoxybenzylene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxy-N-(3,4,5-trimethoxybenzylene)aniline",NA,"CCOC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","WMJHLUPXBDYNAF-UHFFFAOYSA-N",373990,NA,"PDBC23960","651020","Present",NA,NA
+"23961","4-Ethoxy-N-(4-quinolinylmethylene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, 4-ethoxy-N-[(4-quinolinyl)methylene]-",NA,"CCOC1=CC=C(C=C1)N=CC2=CC=NC3=CC=CC=C23","HNKJPQCVXNNDLM-UHFFFAOYSA-N",364174,NA,"PDBC23961","629874","Present",NA,NA
+"23962","4-Ethoxy-N-(8-quinolinylmethylene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxy-N-(8-quinolinylmethylene)aniline",NA,"CCOC1=CC=C(C=C1)N=CC2=CC=CC3=C2N=CC=C3","NLBORTCRDYWWKY-UHFFFAOYSA-N",364175,NA,"PDBC23962","629875","Present",NA,NA
+"23963","4-Ethoxycarbonylbenzo[b]thieno[17,3,5(10),16-tetraen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethoxycarbonylbenzo[b]thieno[17,16-d]-3-O-methyl-estra...",NA,"CCOC(=O)C1=C2C(=C3C(=C1)CC4C3(CCC5C4CCC6=C5C=CC(=C6)OC)C)C=CS2","YDMYQQIQHVFNBA-UHFFFAOYSA-N",24205470,NA,"PDBC23963","735844","Present",NA,NA
+"23964","4-Ethyl-1-methyl-2,6-diphenylpiperidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-1-methyl-2,6-diphenylpiperidin-4-ol",NA,"CCC1(CC(N(C(C1)C2=CC=CC=C2)C)C3=CC=CC=C3)O","IQHJPMRZLRSPJV-UHFFFAOYSA-N",336678,NA,"PDBC23964","351667","Present",NA,NA
+"23965","4-Ethyl-12-methoxy-3,4-dihydro-2H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-12-methoxy-3,4-dihydro-2H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridine",NA,"CCN1CCN=C2C3=C(C=CC(=C3)OC)N4C=NC5=C4C2=C1C=C5","RRXXWKSYGYUDSY-UHFFFAOYSA-N",377155,NA,"PDBC23965","658357","Present",NA,NA
+"23966","4-Ethyl-2,2,5,5-tetramethyl-3-oxido-1H-imidazol-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-imidazole 3-oxide",NA,"CCC1=[N+](C(NC1(C)C)(C)C)[O-]","NICLZPVFUAWUAZ-UHFFFAOYSA-N",379394,NA,"PDBC23966","663936","Present",NA,NA
+"23967","4-Ethyl-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-2,6-dihydroxy-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,"CCC1C(=C(NC(=C1C#N)O)O)C#N","CXLCHLGDOFLSSA-UHFFFAOYSA-N",366849,NA,"PDBC23967","635826","Present",NA,NA
+"23968","4-Ethyl-2,6-dimethyl-N,5-bis(2-methylphenyl)-1,4-dihydro-3-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-2,6-dimethyl-N,5-bis(2-methylphenyl)-1,4-dihydro-3-pyridinecarboxamide",NA,"CCC1C(=C(NC(=C1C(=O)NC2=CC=CC=C2C)C)C)C3=CC=CC=C3C","UDMSAUKWVVBPKY-UHFFFAOYSA-N",366470,NA,"PDBC23968","634929","Present",NA,NA
+"23969","4-Ethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxolane",NA,"CCC1COC(O1)(C=C)C2=CC3=CC=CC=C3C=C2","TYNMRKHQEUSCGK-UHFFFAOYSA-N",383349,NA,"PDBC23969","671463","Present",NA,NA
+"23970","4-Ethyl-3-(methylamino)-5-propyl-1,1,2,2-cyclopentanetetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-3-(methylamino)-5-propylcyclopentane-1,1,2,2-tetracarbonitrile",NA,"CCCC1C(C(C(C1(C#N)C#N)(C#N)C#N)NC)CC","CBPMQDCQORYHLO-UHFFFAOYSA-N",387787,NA,"PDBC23970","681859","Present",NA,NA
+"23971","4-Ethyl-3-[4-[2-[4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-3-[4-[2-[4-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione",NA,"CCN1C(=NNC1=S)C2=CC=C(C=C2)NN=NC3=CC=C(C=C3)C4=NNC(=S)N4CC","OSYVDUIEHYXQPQ-UHFFFAOYSA-N",5472010,NA,"PDBC23971","715975","Present",NA,NA
+"23972","4-Ethyl-4-hydroxycyclohexa-2,5-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-4-hydroxy-cyclohexa-2,5-dien-1-one",NA,"CCC1(C=CC(=O)C=C1)O","QFNSWCBCFCFPSG-UHFFFAOYSA-N",394647,NA,"PDBC23972","698249","Present",NA,NA
+"23973","4-Ethyl-5-(3-acetoxy-2-naphthyl)-2H-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-5-(3-acetoxy-2-naphthyl)-2H-1,2,4-triazole-3-thione",NA,"CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2OC(=O)C","QYEPULAXVGYYGJ-UHFFFAOYSA-N",5471745,NA,"PDBC23973","713589","Present",NA,NA
+"23974","4-Ethyl-5-methyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-5-methyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CCC1C(C2=C(C3C1C(=O)N(C3=O)C4=CC=CC=C4)NC5=CC=CC=C52)C","QFCVBBVIEYWCNL-UHFFFAOYSA-N",362435,NA,"PDBC23974","626384","Present",NA,NA
+"23975","4-Ethyl-6-methoxy-7-(oxiran-2-ylmethoxy)quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinazoline, 4-ethyl-6-methoxy-7-(oxiranylmethoxy)-",NA,"CCC1=NC=NC2=CC(=C(C=C21)OC)OCC3CO3","ZTWHHVCHUZUNBI-UHFFFAOYSA-N",333565,NA,"PDBC23975","335766","Present",NA,NA
+"23976","4-Ethyl-7-hydroxy-3-(p-methoxyphenyl)coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC 7801",NA,"CCC1=C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)OC","OFVOGSOIXOYRRC-UHFFFAOYSA-N",5284654,NA,"PDBC23976","82441","Present",NA,NA
+"23977","4-Ethyl-7-phenyl-3,5-diazabicyclo[2.2.2]octane-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Diaza-1-ethyl-7-phenylbicyclo[2.2.2]octane-3,5-dione",NA,"CCC12CC(C(C(=O)N1)C(=O)N2)C3=CC=CC=C3","AZRRZGIBBLWSSQ-UHFFFAOYSA-N",393571,NA,"PDBC23977","695640","Present",NA,NA
+"23978","4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline",NA,"CCC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC","PVGALIKOSLDYBA-UHFFFAOYSA-N",373800,NA,"PDBC23978","650765","Present",NA,NA
+"23979","4-Ethyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-ethyl-n-(3,4,5-trimethoxybenzyl)aniline, hydrochloride",NA,"CCC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","LTMLFCSQCSPJRX-UHFFFAOYSA-N",373801,NA,"PDBC23979","650766","Present",NA,NA
+"23980","4-Ethyl-N-(3,4,5-trimethoxybenzylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl-N-(3,4,5-trimethoxybenzylene)aniline",NA,"CCC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","LIQFNGGAKXIUPT-UHFFFAOYSA-N",373991,NA,"PDBC23980","651021","Present",NA,NA
+"23981","4-Ethyloxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyloxychalcone",NA,"CCOC1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2","ABJALCOAMMGTJD-JLHYYAGUSA-N",5717021,NA,"PDBC23981","660296","Present",NA,NA
+"23982","4-Ethylpyrimidinium-trans-tetrachlorobis-4- ethylpyridin...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethylpyrimidinium-trans-tetrachlorobis-4- ethylpyridin...",NA,NA,NA,NA,NA,"PDBC23982","630131","Present",NA,NA
+"23983","4-Ethylthio-6-iodo-2-(2-thienyl)quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethylthio-6-iodo-2-(2-thienyl)quinazoline",NA,"CCSC1=NC(=NC2=C1C=C(C=C2)I)C3=CC=CS3","SYHXHQIPQLWQCY-UHFFFAOYSA-N",404775,NA,"PDBC23983","721273","Present",NA,NA
+"23984","4-Ethylthiopyrazolo[3,4-d]pyrimidin-6-thion",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethylthiopyrazolo[3,4-d]pyrimidin-6-thion",NA,"CCSC1=NC(=S)NC2=C1C=NN2","KNJPYDHMFGGCNS-UHFFFAOYSA-N",135436393,NA,"PDBC23984","722939","Present",NA,NA
+"23985","4-Ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethynyl-1-methyl-2,6-diphenylpiperidin-4-ol;hydrochloride",NA,"CN1C(CC(CC1C2=CC=CC=C2)(C#C)O)C3=CC=CC=C3.Cl","BDVBDDVELGIRSL-UHFFFAOYSA-N",24199959,NA,"PDBC23985","351666","Present",NA,NA
+"23986","4-Fluoren-9-ylidenemethyl-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoren-9-ylidenemethyl-pyridine",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC=NC=C4","YVNXZDHQCSSQMR-UHFFFAOYSA-N",256445,NA,"PDBC23986","83319","Present",NA,NA
+"23987","4-Fluoro-1-(1-thiophen-2-ylcyclohexyl)piperidine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-1-[1-(2-thienyl)cyclohexyl]piperidine hydrobromide",NA,"C1CCC(CC1)(C2=CC=CS2)N3CCC(CC3)F.Br","NJWPVGBOMFEZPB-UHFFFAOYSA-N",398087,NA,"PDBC23987","707451","Present",NA,NA
+"23988","4-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole",NA,"C1=CC(=C2C(=C1)SC(=N2)C3=CC(=C(C=C3)N)C#N)F","SNXOVVLVUFSOSZ-UHFFFAOYSA-N",404144,NA,"PDBC23988","720283","Present",NA,NA
+"23989","4-Fluoro-2-nitro-1-phenylsulfanylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BPDDJSOPIZLNLL-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)SC2=C(C=C(C=C2)F)[N+](=O)[O-]","BPDDJSOPIZLNLL-UHFFFAOYSA-N",378891,NA,"PDBC23989","662299","Present",NA,NA
+"23990","4-Fluoro-3-methoxy-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol-3-y l)-phenyl]-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-3-methoxy-N-[4-(5-phenyl-4,5-dihydro-1H-pyrazol...",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CC=C4)F","VSCCKYKQQJZJNI-UHFFFAOYSA-N",24203515,NA,"PDBC23990","728415","Present",NA,NA
+"23991","4-Fluoro-4'-(trifluoromethyl)benzophenone guanylhydrazone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WR 09792",NA,"C1=CC(=CC=C1C(=NN=C(N)N)C2=CC=C(C=C2)F)C(F)(F)F.Cl","SGDJEEPRBXBRJK-BWLGBDCWSA-N",10248002,NA,"PDBC23991","127923","Present",NA,NA
+"23992","4-Fluoro-4-methylcyclohexa-2,5-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-4-methylcyclohexa-2,5-dien-1-one",NA,"CC1(C=CC(=O)C=C1)F","UELYMTQACMUFOY-UHFFFAOYSA-N",394649,NA,"PDBC23992","698251","Present",NA,NA
+"23993","4-Fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-amine",NA,"CN1C=C2C=CC=CC2=C1C3=NC(=NC(=N3)F)N","GFILRLNCCPEFSR-UHFFFAOYSA-N",373230,NA,"PDBC23993","649237","Present",NA,NA
+"23994","4-Fluoro-DL-tryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-D,L-tryptophan",NA,"C1=CC2=C(C(=C1)F)C(=CN2)CC(C(=O)O)N","DEBQMEYEKKWIKC-UHFFFAOYSA-N",101198,NA,"PDBC23994","529108","Present",NA,NA
+"23995","4-Fluoro-N'-(2-hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-N'-(2-hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)benzenesulfonohydrazide",NA,"C1=CC(=CC=C1F)S(=O)(=O)NN=CC2=C(C(=CC(=C2)I)[N+](=O)[O-])O","LDGIDXLZLYALTH-FRKPEAEDSA-N",135429935,NA,"PDBC23995","620305","Present",NA,NA
+"23996","4-Fluoro-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,"CNS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)F","HFFHGNFDEULGCM-UHFFFAOYSA-N",367382,NA,"PDBC23996","637071","Present",NA,NA
+"23997","4-Fluoro-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,"CS(=O)(=O)NNS(=O)(=O)C1=CC=C(C=C1)F","KLAPUBNZJBLZBT-UHFFFAOYSA-N",367386,NA,"PDBC23997","637075","Present",NA,NA
+"23998","4-Fluoro-N'-[(2-hydroxy-3,5-dinitrophenyl) methylidene]benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-fluoro-N'-[(2-hydroxy-3,5-dinitrophenyl) methylidene]b...",NA,"C1=CC(=CC=C1F)S(=O)(=O)NN=CC2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O","ZVJHJBWCLSDDOX-VIZOYTHASA-N",135429929,NA,"PDBC23998","620299","Present",NA,NA
+"23999","4-Fluoro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-N-(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,"CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)F","SCUJEBAIJFDIMZ-UHFFFAOYSA-N",369937,NA,"PDBC23999","642304","Present",NA,NA
+"24000","4-Fluoro-N-(3-((4-fluorophenyl)imino)-1-propenyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-N-(3-((4-fluorophenyl)imino)-1-propenyl)aniline",NA,"C1=CC(=CC=C1NC=CC=NC2=CC=C(C=C2)F)F","NAJOFPCAYQWTPJ-VDRJLMEUSA-N",5933697,NA,"PDBC24000","676469","Present",NA,NA
+"24001","4-Fluoro-N-(4-((4-fluorophenyl)imino)-1(4H)-naphthalenylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-N-(4-((4-fluorophenyl)imino)-1(4H)-naphthalenylidene)aniline",NA,"C1=CC=C2C(=NC3=CC=C(C=C3)F)C=CC(=NC4=CC=C(C=C4)F)C2=C1","UXONOXOMVJDYOS-UHFFFAOYSA-N",362419,NA,"PDBC24001","626304","Present",NA,NA
+"24002","4-Fluoro-N-[(4-fluorophenyl)-[1-(4-phenylbutyl)piperidin-4-yl]methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-fluoro-N-((4-fluorophenyl)(1-(4-phenylbutyl)piperidin-...",NA,"C1CN(CCC1C(C2=CC=C(C=C2)F)NC3=CC=C(C=C3)F)CCCCC4=CC=CC=C4","SMQUFYRIQYQDJW-UHFFFAOYSA-N",19772054,NA,"PDBC24002","788824","Present",NA,NA
+"24003","4-Fluoro-N-[2-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-fluoro-N-(2-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyraz...",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)F","YYRYVQPVQWTMCH-UHFFFAOYSA-N",155815443,NA,"PDBC24003","783562","Present",NA,NA
+"24004","4-Fluoro-N-[3-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-fluoro-N-(3-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyraz...",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)F","QJDRSEAJQGKWPG-UHFFFAOYSA-N",155812045,NA,"PDBC24004","783566","Present",NA,NA
+"24005","4-Fluoro-N-[3-[[4-[6-(4-hydroxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-fluoro-N-(3-(4-(6-(4-hydroxyphenyl)imidazo[2,1-b]thiaz...",NA,"C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)F)O","FQLILJQDGJUCGS-UHFFFAOYSA-N",155816262,NA,"PDBC24005","780022","Present",NA,NA
+"24006","4-Fluoro-N-[3-[[4-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]propyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-fluoro-N-(3-((4-(6-(4-methoxyphenyl)imidazo[2,1-b]thia...",NA,"COC1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)F","GJGDRVUBGJNSLL-UHFFFAOYSA-N",155809810,NA,"PDBC24006","780030","Present",NA,NA
+"24007","4-Fluoro-N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-fluoro-N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]be...",NA,"C1=CC=C2C(=C1)C(=CC(=C2O)SC3=CC=CC4=C3N=CC=C4)NS(=O)(=O)C5=CC=C(C=C5)F","HLVJWPTZQDKJQP-UHFFFAOYSA-N",2133793,NA,"PDBC24007","780572","Present",NA,NA
+"24008","4-Fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-N-[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]benzamide",NA,"C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F)F","SYYVIIHWBKHMNE-UHFFFAOYSA-N",54612796,NA,"PDBC24008","750977","Present",NA,NA
+"24009","4-Fluoro-N-{4[-3-(4-hydroxy-phenyl)-acryloyl]-phenyl}-benzen esulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Fluoro-N-{4[-3-(4-hydroxy-phenyl)-acryloyl]-phenyl}-be...",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)O)F","DBTWQXYEXLZZBK-YIXHJXPBSA-N",24203513,NA,"PDBC24009","728413","Present",NA,NA
+"24010","4-Fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP013620",NA,"C1CC1C(C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O","YAKFETHTYBAIJR-UHFFFAOYSA-N",67930,NA,"PDBC24010","78476","Present",NA,NA
+"24011","4-Fluoromandelic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C8H7FO3",NA,"C1=CC(=CC=C1C(C(=O)O)O)F","RWCMOQXHIDWDDJ-UHFFFAOYSA-N",98068,NA,"PDBC24011","73990","Present",NA,NA
+"24012","4-Formyl-2,6-dihydroxy-5-pyrimidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Formyl-2,6-dihydroxy-5-pyrimidinecarboxylic acid",NA,"C(=O)C1=C(C(=O)NC(=O)N1)C(=O)O","ATMFFISCAPDFMC-UHFFFAOYSA-N",381326,NA,"PDBC24012","667847","Present",NA,NA
+"24013","4-Formylcolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-(4-formyl-5,6,7,9-tetrahydro-1,2,3,10- tetr...",NA,"CC(=O)NC1CCC2=C(C(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC)C=O","JUWAUXATKRGHCK-KRWDZBQOSA-N",332237,NA,"PDBC24013","328403","Present",NA,NA
+"24014","4-Furan-2-yl-6-(4-methoxy-phenyl)-2-thioxo-1-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yl)-1,2-dihydro-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Furan-2-yl)-6-(4-methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CO4","IDRZCZXJTPPTFE-UHFFFAOYSA-N",383450,NA,"PDBC24014","671819","Present",NA,NA
+"24015","4-Furo[2,3-b]quinolin-4-yloxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Furo[2,3-b]quinolin-4-yloxy)benzaldehyde",NA,"C1=CC=C2C(=C1)C(=C3C=COC3=N2)OC4=CC=C(C=C4)C=O","VSFHIHGPMITGOD-UHFFFAOYSA-N",406549,NA,"PDBC24015","724697","Present",NA,NA
+"24016","4-Furylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrimidin e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Furylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrim...",NA,"C1=COC(=C1)C=NNC2=NC(=S)NC3=C2C=NN3","WFBAGSYMAKLSDU-NYYWCZLTSA-N",135436414,NA,"PDBC24016","723122","Present",NA,NA
+"24017","4-Guanidinobutyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanoic acid, 4-[(aminoiminomethyl)amino]- (9CI)",NA,"C(CC(=O)O)CN=C(N)N","TUHVEAJXIMEOSA-UHFFFAOYSA-N",500,NA,"PDBC24017","521717","Present",NA,NA
+"24018","4-Heptyl-2-(4-methoxyphenyl)-5-methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Heptyl-2-(4-methoxyphenyl)-5-methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CCCCCCCC1C(C2=C(C3C1C(=O)N(C3=O)C4=CC=C(C=C4)OC)NC5=CC=CC=C52)C","HVXYMFBOUMLZEH-UHFFFAOYSA-N",379238,NA,"PDBC24018","663652","Present",NA,NA
+"24019","4-Hexadecyl-4-methylmorpholin-4-ium methyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hexadecyl-4-methylmorpholin-4-ium;methyl sulfate",NA,"CCCCCCCCCCCCCCCC[N+]1(CCOCC1)C.COS(=O)(=O)[O-]","DNRNWJIWFBADEU-UHFFFAOYSA-M",24187598,NA,"PDBC24019","66323","Present",NA,NA
+"24020","4-Hexoxy-N-methoxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hexoxy-N-methoxy-benzamide",NA,"CCCCCCOC1=CC=C(C=C1)C(=O)NOC","QJDMTYORZDWWHW-UHFFFAOYSA-N",392404,NA,"PDBC24020","692768","Present",NA,NA
+"24021","4-Hexyl-N-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hexyl-N-hydroxybenzamide",NA,"CCCCCCC1=CC=C(C=C1)C(=O)NO","XKWHBVHIODBAFB-UHFFFAOYSA-N",392391,NA,"PDBC24021","692755","Present",NA,NA
+"24022","4-Hydrazino-1H-[1,2,3]triazolo[4,5-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydrazino-1H-[1,2,3]triazolo[4,5-d]pyridazine",NA,"C1=NN=C(C2=NNN=C21)NN","KSEJAGADQCEKJY-UHFFFAOYSA-N",391405,NA,"PDBC24022","690578","Present",NA,NA
+"24023","4-Hydrazino-4-oxo-N-(2,4,5-trichlorophenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydrazino-4-oxo-N-(2,4,5-trichlorophenyl)butanamide",NA,"C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)CCC(=O)NN","YBAAWIBFRQGHOO-UHFFFAOYSA-N",362235,NA,"PDBC24023","625839","Present",NA,NA
+"24024","4-Hydrazino-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydrazino-N,N,5,6-tetramethylfuro[2,3-d]pyrimidin-2-amine",NA,"CC1=C(OC2=NC(=NC(=C12)NN)N(C)C)C","XECZNAWOADURPB-UHFFFAOYSA-N",389701,NA,"PDBC24024","686267","Present",NA,NA
+"24025","4-Hydrazino-N,N-dimethyl-5,6-diphenylfuro[2,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydrazino-N,N-dimethyl-5,6-diphenylfuro[2,3-d]pyrimidin-2-amine",NA,"CN(C)C1=NC(=C2C(=C(OC2=N1)C3=CC=CC=C3)C4=CC=CC=C4)NN","PJZMQJHPXPAZDS-UHFFFAOYSA-N",389706,NA,"PDBC24025","686272","Present",NA,NA
+"24026","4-Hydrazinyl-4-oxo-N-(2-propan-2-ylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydrazinyl-4-oxo-N-(2-propan-2-ylphenyl)butanamide",NA,"CC(C)C1=CC=CC=C1NC(=O)CCC(=O)NN","SJOHATLHQJZFIH-UHFFFAOYSA-N",358647,NA,"PDBC24026","618661","Present",NA,NA
+"24027","4-Hydrazono-2,5-dioxo-N,1-dipentyl-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydrazono-2,5-dioxo-N,1-dipentyl-3-pyrrolidinecarboxamide",NA,"CCCCCNC(=O)C1C(=NN)C(=O)N(C1=O)CCCCC","VXXFJHFIDXMAMJ-PDGQHHTCSA-N",9569994,NA,"PDBC24027","630898","Present",NA,NA
+"24028","4-Hydrazono-N,1-bis(2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydrazono-N,1-bis(2-methylphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2C(=NN)C(=O)N(C2=O)C3=CC=CC=C3C","VWTRPSVZHBVGJR-JWGURIENSA-N",9569911,NA,"PDBC24028","623901","Present",NA,NA
+"24029","4-Hydrazono-N,1-bis(3-methoxypropyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydrazono-N,1-bis(3-methoxypropyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"COCCCNC(=O)C1C(=NN)C(=O)N(C1=O)CCCOC","DLTBMBWFSJTEEL-YBEGLDIGSA-N",9569996,NA,"PDBC24029","630902","Present",NA,NA
+"24030","4-Hydrazono-N,1-bis(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydrazono-N,1-bis(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"COC1=CC=C(C=C1)NC(=O)C2C(=NN)C(=O)N(C2=O)C3=CC=C(C=C3)OC","BOXDKCIUCHWCIB-JWGURIENSA-N",6105184,NA,"PDBC24030","630892","Present",NA,NA
+"24031","4-Hydroperoxyisophosphamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,3,2-Oxazaphosphorin-2-amine, N,3-bis(2-chloroethyl)...",NA,"C1COP(=O)(N(C1OO)CCCl)NCCCl","YGZIWEZFFBPCLN-UHFFFAOYSA-N",99769,NA,"PDBC24031","227114","Present",NA,NA
+"24032","4-Hydroxy-1,3-bis(2-nitrophenyl)butan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-1,3-bis(2-nitrophenyl)butan-2-one",NA,"C1=CC=C(C(=C1)CC(=O)C(CO)C2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]","YIKICLSWQBCOIW-UHFFFAOYSA-N",364683,NA,"PDBC24032","631317","Present",NA,NA
+"24033","4-Hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-10-imino-anthracen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-1-[2-(2-hydroxyethylamino)ethylamino]-10-imino-anthracen-9-one",NA,"C1=CC=C2C(=C1)C(=N)C3=C(C=CC(=C3C2=O)NCCNCCO)O","PPNDCALYNGCOIX-UHFFFAOYSA-N",438629,NA,"PDBC24033","649153","Present",NA,NA
+"24034","4-Hydroxy-1-methoxy-5H-benzo[a]cyclohepten-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-1-methoxy-5H-benzo[a]cyclohepten-5-one",NA,"COC1=C2C=CC=CC(=O)C2=C(C=C1)O","ZLUYWOMUAFRABD-UHFFFAOYSA-N",361615,NA,"PDBC24034","624800","Present",NA,NA
+"24035","4-Hydroxy-1-methyl-2-oxobenzo[b][1,8]naphthyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1-methyl-4-oxo-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carbonitrile",NA,"CN1C2=NC3=CC=CC=C3C=C2C(=C(C1=O)C#N)O","FEYFEKOOLUHVAM-UHFFFAOYSA-N",54676241,NA,"PDBC24035","627475","Present",NA,NA
+"24036","4-Hydroxy-1-methyl-3-(p-tolylsulfonyl)quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-1-methyl-3-(p-tolylsulfonyl)quinolin-4-one",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=CC=CC=C3N(C2=O)C)O","VVCWJCSCUGDPJB-UHFFFAOYSA-N",54682449,NA,"PDBC24036","695623","Present",NA,NA
+"24037","4-Hydroxy-1-methyl-3-[(1-methyl-2-oxo-3-quinolyl)-(4-nitrophenyl)methyl]quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-1-methyl-3-[(1-methyl-2-oxo-3-quinolyl)-(4-nitrophenyl)methyl]quinolin-2-one",NA,"CN1C2=CC=CC=C2C=C(C1=O)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C5=CC=CC=C5N(C4=O)C)O","YGWMJNLZUQMRMY-UHFFFAOYSA-N",54687022,NA,"PDBC24037","642519","Present",NA,NA
+"24038","4-Hydroxy-1-methyl-3-phenyl-1,2-dihydroquinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arboricin",NA,"CN1C2=CC=CC=C2C(=C(C1=O)C3=CC=CC=C3)O","CLKIYIWKKBDFBS-UHFFFAOYSA-N",54680431,NA,"PDBC24038","675808","Present",NA,NA
+"24039","4-Hydroxy-1-methyl-4-piperidinyl (1-hydroxycyclopentyl)(phenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-1-methyl-4-piperidinyl (1-hydroxycyclopentyl)(phenyl)acetate",NA,"CN1CCC(CC1)(O)OC(=O)C(C2=CC=CC=C2)C3(CCCC3)O","WHZKZJOSELYKPT-UHFFFAOYSA-N",380236,NA,"PDBC24039","665716","Present",NA,NA
+"24040","4-Hydroxy-14-phenylsulfanyl-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-14-phenylsulfanyl-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one",NA,"C1COC(=O)CCC2=CC(=C(C=C2)O)OC3=CC=C(C1SC4=CC=CC=C4)C=C3","WKQOKEONSAJJTJ-UHFFFAOYSA-N",388340,NA,"PDBC24040","683131","Present",NA,NA
+"24041","4-Hydroxy-17a-Methyl-17a-aza-D-homo-4-androsten-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-17a-Methyl-17a-aza-D-homo-4-androsten-3-one",NA,"CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCCN4C)C)O","LPGUUEFSUWHOPN-BYSVNXKBSA-N",364580,NA,"PDBC24041","631067","Present",NA,NA
+"24042","4-Hydroxy-17a-aza-D-homo-4-androstene-3,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-17a-aza-D-homo-4-androstene-3,17-dione",NA,"CC12CCC(=O)C(=C1CCC3C2CCC4(C3CCC(=O)N4)C)O","ZHYHYICJCUNDMC-ZLFKRAGNSA-N",364575,NA,"PDBC24042","631062","Present",NA,NA
+"24043","4-Hydroxy-2'-phenyl-17a-aza-D-homo-4-androsteno[17,16-c]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2'-phenyl-17a-aza-D-homo-4-androsteno[17,16-c]...",NA,"CC12CCC(=O)C(=C1CCC3C2CCC4(C3CC5=C(N4)N(N=C5)C6=CC=CC=C6)C)O","WYALBWDKZKSLPP-STPICVOLSA-N",363161,NA,"PDBC24043","627762","Present",NA,NA
+"24044","4-Hydroxy-2,2,6-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Pyrano[3,2-g}quinoline-5,10-dione, 4-hydroxy- 2,2,6-t...",NA,"CC1=C2C(=NC=C1)C(=O)C3=C(C2=O)C(CC(O3)(C)C)O","ZFWMBDFXZOAQEP-UHFFFAOYSA-N",387918,NA,"PDBC24044","682223","Present",NA,NA
+"24045","4-Hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2,2,7-trimethyl-3,4-dihydro-2H-pyrano[3,2-g]quinoline-5,10-dione",NA,"CC1=CC2=C(C(=O)C3=C(C2=O)C(CC(O3)(C)C)O)N=C1","YIMVNPNFSCHJGD-UHFFFAOYSA-N",372581,NA,"PDBC24045","647941","Present",NA,NA
+"24046","4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]quinoline-5,10-dione",NA,"CC1(CC(C2=C(O1)C(=O)C3=C(C2=O)C=CC=N3)O)C","JTPFBOKGRLIYEO-UHFFFAOYSA-N",387917,NA,"PDBC24046","682222","Present",NA,NA
+"24047","4-Hydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,"CC(C)CC1=C2C(CC(C2=O)(C)C)C(C(=C)C13CC3)O","WHVSRUNTINLBAI-UHFFFAOYSA-N",406833,NA,"PDBC24047","725124","Present",NA,NA
+"24048","4-Hydroxy-2,3,4-triphenyl-2-cyclopenten-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB-131/42301678",NA,"C1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=CC=C4","JMQDECCLRBOGQZ-UHFFFAOYSA-N",361630,NA,"PDBC24048","624846","Present",NA,NA
+"24049","4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2,3-dimethoxy-4-phenyl-2-cyclobuten-1-one",NA,"COC1=C(C(C1=O)(C2=CC=CC=C2)O)OC","RQMAAUOGFOJALV-UHFFFAOYSA-N",361745,NA,"PDBC24049","625011","Present",NA,NA
+"24050","4-Hydroxy-2,8-bis(1-piperidylmethyl)pyrimido[1,2-a][1,8]naphthyridin-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2,8-bis(1-piperidylmethyl)pyrimido[1,2-a][1,8]naphthyridin-10-one",NA,"C1CCN(CC1)CC2=CC(=O)C3=C(N2)N4C(=NC(=CC4=O)CN5CCCCC5)C=C3","PIOJQZZUMQBJEO-UHFFFAOYSA-N",135489877,NA,"PDBC24050","687684","Present",NA,NA
+"24051","4-Hydroxy-2-(2-Hydroxybenzylidenehydrazino)-6-Methylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, 2-hydroxy-, (1,4-dihydro-6-methyl-4-oxo-2-...",NA,"CC1=CC(=O)NC(=N1)NN=CC2=CC=CC=C2O","XVDNTAIBZHGIAL-NTUHNPAUSA-N",135460298,NA,"PDBC24051","97967","Present",NA,NA
+"24052","4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarbonitrile",NA,"C1CCC2=C(C1)C(=O)N(N2)C3=NC=C(C(=O)N3)C#N","IFHRNPOXUOBCRA-UHFFFAOYSA-N",387160,NA,"PDBC24052","680674","Present",NA,NA
+"24053","4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2-(3-oxo-1,3,4,5,6,7-hexahydro-2H-indazol-2-yl)-5-pyrimidinecarboxylic acid",NA,"C1CCC2=C(C1)C(=O)N(N2)C3=NC=C(C(=O)N3)C(=O)O","NIBDQHFWTFEATL-UHFFFAOYSA-N",387159,NA,"PDBC24053","680673","Present",NA,NA
+"24054","4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarbonitrile",NA,"CC1=C(C(=O)N(N1)C2=NC=C(C(=O)N2)C#N)CCO","DZWFSJJETCGGST-UHFFFAOYSA-N",379754,NA,"PDBC24054","664726","Present",NA,NA
+"24055","4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-5-pyrimidinecarboxylic acid",NA,"CC1=C(C(=O)N(N1)C2=NC=C(C(=O)N2)C(=O)O)CCO","YQXWPQBDEPAWFL-UHFFFAOYSA-N",380615,NA,"PDBC24055","666290","Present",NA,NA
+"24056","4-Hydroxy-2-(hydroxymethyl)-2-methyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2-(hydroxymethyl)-2-methyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,"CC(C)CC1=C2C(CC(C2=O)(C)CO)C(C(=C)C13CC3)O","LCFFFTSOKGDJBC-UHFFFAOYSA-N",406836,NA,"PDBC24056","725127","Present",NA,NA
+"24057","4-Hydroxy-2-(methylsulfanyl)-6-phenyl-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_004962",NA,"CSC1=NC(=C(C(=O)N1)C#N)C2=CC=CC=C2","QEMPGPIZKSTYKP-UHFFFAOYSA-N",135407280,NA,"PDBC24057","686027","Present",NA,NA
+"24058","4-Hydroxy-2-isopropenyl-10-methyl-3,10-dihydrofuro[3,2-b]acridin-5(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2-isopropenyl-10-methyl-3,10-dihydrofuro[3,2-b]acridin-5(2H)-one",NA,"CC(=C)C1CC2=C(O1)C=C3C(=C2O)C(=O)C4=CC=CC=C4N3C","DWXCDJBFCSGKML-UHFFFAOYSA-N",378566,NA,"PDBC24058","661205","Present",NA,NA
+"24059","4-Hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Cyanoquinoline-2,4-dione",NA,"C1=CC=C2C(=C1)C(=C(C(=O)N2)C#N)O","CRRUFISVDCIBAP-UHFFFAOYSA-N",54694513,NA,"PDBC24059","691971","Present",NA,NA
+"24060","4-Hydroxy-2-oxo-1-prop-2-ynylbenzo[b][1,8]naphthyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-4-oxo-1-(prop-2-yn-1-yl)-1,4-dihydrobenzo[b][1,8]naphthyridine-3-carbonitrile",NA,"C#CCN1C2=NC3=CC=CC=C3C=C2C(=C(C1=O)C#N)O","RAGOFBGAHJWKNN-UHFFFAOYSA-N",54676230,NA,"PDBC24060","625354","Present",NA,NA
+"24061","4-Hydroxy-2-oxo-2H-chromene-3-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-2-oxo-2H-chromene-3-sulfonamide",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)S(=O)(=O)N)O","WYMXTUAQMCLUOC-UHFFFAOYSA-N",54690697,NA,"PDBC24061","41277","Present",NA,NA
+"24062","4-Hydroxy-3,4-dihydro-2H-1,3-benzoxazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,3-Benzoxazin-2-one, 3,4-dihydro-4-hydroxy-",NA,"C1=CC=C2C(=C1)C(NC(=O)O2)O","VKDPWSRLHGLVEX-UHFFFAOYSA-N",150090,NA,"PDBC24062","295150","Present",NA,NA
+"24063","4-Hydroxy-3,4-dihydro-2H-naphtho[2,3-e][1,3]oxazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3,4-dihydro-2H-naphtho[2,3-e][1,3]oxazin-2-one",NA,"C1=CC=C2C=C3C(=CC2=C1)C(NC(=O)O3)O","FKKQHGDYKNKJPL-UHFFFAOYSA-N",378322,NA,"PDBC24063","660331","Present",NA,NA
+"24064","4-Hydroxy-3,5,8-trimethylenedecahydroazuleno[6,5-b]furan-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3,5,8-trimethylenedecahydroazuleno[6,5-b]furan-2(3H)-one",NA,"C=C1CCC2C1C(C3C(CC2=C)OC(=O)C3=C)O","BFJZGJOZEZXOIT-UHFFFAOYSA-N",362584,NA,"PDBC24064","626673","Present",NA,NA
+"24065","4-Hydroxy-3-(1-morpholin-4-yl-1-phenyl-methyl)-1,5-diphenyl-1,5-dihydro-pyrrol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-(1-morpholin-4-yl-1-phenyl-methyl)-1,5-diphenyl-1,5-dihydro-pyrrol-2-one",NA,"C1COCCN1C(C2=CC=CC=C2)C3=C(C(N(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)O","PNYYAMINXCXVFC-UHFFFAOYSA-N",54681647,NA,"PDBC24065","663785","Present",NA,NA
+"24066","4-Hydroxy-3-(3-hydroxy-1,2,4-triazin-6-yl)-6-methylquinolin-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-(3-hydroxy-1,2,4-triazin-6-yl)-6-methylquinolin-2(1H)-one",NA,"CC1=CC2=C(C=C1)NC(=O)C(=C2O)C3=NNC(=O)N=C3","DRJWMQHFKFQSJE-UHFFFAOYSA-N",135408193,NA,"PDBC24066","666115","Present",NA,NA
+"24067","4-Hydroxy-3-(3-oxo-5-phenyl-4-pentenyl)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-hydroxy-3-[(E)-3-oxo-5-phenyl-pent-4-enyl]chromen-2-one",NA,"C1=CC=C(C=C1)C=CC(=O)CCC2=C(C3=CC=CC=C3OC2=O)O","QIBANWOLXDOINM-ZHACJKMWSA-N",54716270,NA,"PDBC24067","649799","Present",NA,NA
+"24068","4-Hydroxy-3-(5,6,7-trimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-(5,6,7-trimethoxy-1,2,3,4-tetrahydro-1-isoquinolinyl)-2(5H)-furanone",NA,"COC1=C(C(=C2CCNC(C2=C1)C3=C(COC3=O)O)OC)OC","XQKKBTCAEOOLNW-UHFFFAOYSA-N",54676245,NA,"PDBC24068","628943","Present",NA,NA
+"24069","4-Hydroxy-3-[(1-hydroxy-4-sulfonaphthalen-2-yl)azo]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(1-hydroxy-4-sulfonaphthalen-2-yl)azo]benzoic acid",NA,"C1=CC=C2C(=C1)C(=CC(=C2O)N=NC3=C(C=CC(=C3)C(=O)O)O)S(=O)(=O)O","UIYDCNHGVDGNBZ-UHFFFAOYSA-N",364699,NA,"PDBC24069","631351","Present",NA,NA
+"24070","4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-(4-methoxyphenyl)methyl]-1-methyl-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-(4-methoxyphenyl)methyl]-1-methyl-quinolin-2-one",NA,"CN1C2=CC=CC=C2C(=C(C1=O)C(C3=CC=C(C=C3)OC)C4=C(C5=CC=CC=C5N(C4=O)C)O)O","SLKUMQAVNHTONZ-UHFFFAOYSA-N",54687021,NA,"PDBC24070","642518","Present",NA,NA
+"24071","4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-phenyl-methyl]-1-methyl-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(4-hydroxy-1-methyl-2-oxo-3-quinolyl)-phenyl-methyl]-1-methyl-quinolin-2-one",NA,"CN1C2=CC=CC=C2C(=C(C1=O)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5N(C4=O)C)O)O","NQWMMPBLNCXRNP-UHFFFAOYSA-N",54687020,NA,"PDBC24071","642517","Present",NA,NA
+"24072","4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-methoxyphenyl)methyl]-1-phenyl-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-methoxyphenyl)methyl]-1-phenyl-quinolin-2-one",NA,"COC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)O)C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O","QPHUSQGUUNDYTA-UHFFFAOYSA-N",54684335,NA,"PDBC24072","642522","Present",NA,NA
+"24073","4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-nitrophenyl)methyl]-1-phenyl-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(4-nitrophenyl)methyl]-1-phenyl-quinolin-2-one",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)C(C4=CC=C(C=C4)[N+](=O)[O-])C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O)O","RYRMTTSYKBBOQB-UHFFFAOYSA-N",54687025,NA,"PDBC24073","642523","Present",NA,NA
+"24074","4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(p-tolyl)methyl]-1-phenyl-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(4-hydroxy-2-oxo-1-phenyl-3-quinolyl)-(p-tolyl)methyl]-1-phenyl-quinolin-2-one",NA,"CC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3N(C2=O)C4=CC=CC=C4)O)C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O","PFUQYFRSESPDAR-UHFFFAOYSA-N",54687024,NA,"PDBC24074","642521","Present",NA,NA
+"24075","4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(4-phenylphenyl)methyl]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(4-phenylphenyl)methyl]chromen-2-one",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","QTIUFAAOBONXEO-UHFFFAOYSA-N",54695479,NA,"PDBC24075","686383","Present",NA,NA
+"24076","4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-[4-[(E)-styryl]phenyl]methyl]chromen-2-one",NA,"C1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","VNNIAOVTRWFYEW-CCEZHUSRSA-N",54685683,NA,"PDBC24076","686384","Present",NA,NA
+"24077","4-Hydroxy-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-5-methoxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(E)-[(E)-(2-hydroxyphenyl)methylidenehydrazinylidene]methyl]-5-methoxybenzaldehyde",NA,"COC1=CC(=CC(=C1O)C=NN=CC2=CC=CC=C2O)C=O","GBLQIGUCTQLCQG-YPOGWSRFSA-N",135436320,NA,"PDBC24077","718163","Present",NA,NA
+"24078","4-Hydroxy-3-methoxy-2,2,7-trimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-methoxy-2,2,7-trimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,"CC1=C2C(C(C(=C)C13CC3)O)C(C(C2=O)(C)C)OC","JUXIWECMQDJFHK-UHFFFAOYSA-N",406820,NA,"PDBC24078","725111","Present",NA,NA
+"24079","4-Hydroxy-3-methoxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-methoxy-2,2-dimethyl-5-methylidene-7-(2-methylpropyl)spiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,"CC(C)CC1=C2C(C(C(=C)C13CC3)O)C(C(C2=O)(C)C)OC","FWQXUDYMMJYUBR-UHFFFAOYSA-N",406834,NA,"PDBC24079","725125","Present",NA,NA
+"24080","4-Hydroxy-3-methoxy-5-[(E)-pyridin-2-yliminomethyl]benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-methoxy-5-[(E)-pyridin-2-yliminomethyl]benzaldehyde",NA,"COC1=CC(=CC(=C1O)C=NC2=CC=CC=N2)C=O","AOXBXHYJXVTLFR-LZYBPNLTSA-N",135436331,NA,"PDBC24080","720187","Present",NA,NA
+"24081","4-Hydroxy-3-methoxyamphetamine Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-methoxyamphetamine Hydrochloride",NA,"CC(CC1=CC(=C(C=C1)O)OC)N.Cl","NHLXZOOGQNYXLV-UHFFFAOYSA-N",12611603,NA,"PDBC24081","172191","Present",NA,NA
+"24082","4-Hydroxy-3-methoxynitrostyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC7376",NA,"COC1=C(C=CC(=C1)C=C[N+](=O)[O-])O","XVXCSPJSXIUNQJ-PLNGDYQASA-N",1550966,NA,"PDBC24082","7376","Present",NA,NA
+"24083","4-Hydroxy-3-methyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH842406",NA,"CC1=C(C2=CC=CC=C2OC1=O)O","RBZSTMCKGZFSOH-UHFFFAOYSA-N",54687016,NA,"PDBC24083","63737","Present",NA,NA
+"24084","4-Hydroxy-3-methylene-2,2,10-trimethyl-2,3-dihydrofuro[3,2-b]acridin-5(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-methylene-2,2,10-trimethyl-2,3-dihydrofuro [...",NA,"CC1(C(=C)C2=C(O1)C=C3C(=C2O)C(=O)C4=CC=CC=C4N3C)C","ABCWGWBKQHODBV-UHFFFAOYSA-N",5388212,NA,"PDBC24084","633785","Present",NA,NA
+"24085","4-Hydroxy-3-oxo-4-androsteno[16,17-c]-1',2',5',-oxadiazo...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-oxo-4-androsteno[16,17-c]-1',2',5',-oxadiazo...",NA,NA,NA,NA,NA,"PDBC24085","626418","Present",NA,NA
+"24086","4-Hydroxy-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-phenyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2O","LDQUXIWHMSINFK-UHFFFAOYSA-N",385479,NA,"PDBC24086","676715","Present",NA,NA
+"24087","4-Hydroxy-3-propyl-1H-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_006680",NA,"CCCC1=C(C2=CC=CC=C2NC1=O)O","CKETYLIKMVJPGC-UHFFFAOYSA-N",54680429,NA,"PDBC24087","675805","Present",NA,NA
+"24088","4-Hydroxy-4-methyl-2,5-cyclohexadien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Cyclohexadien-1-one, 4-hydroxy-4-methyl-",NA,"CC1(C=CC(=O)C=C1)O","MUBYTRYBVWQAKF-UHFFFAOYSA-N",100411,NA,"PDBC24088","295156","Present",NA,NA
+"24089","4-Hydroxy-5,7-dimethoxy-3-(p-tolylsulfonyl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-5,7-dimethoxy-3-(p-tolylsulfonyl)chromen-4-one",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=C(C=C(C=C3OC)OC)OC2=O)O","YOUVPIGGTYYNKM-UHFFFAOYSA-N",54690909,NA,"PDBC24089","695620","Present",NA,NA
+"24090","4-Hydroxy-5-methylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RW3809",NA,"CC1=CN=CNC1=O","SHLJOANTPJWIHS-UHFFFAOYSA-N",205324,NA,"PDBC24090","618281","Present",NA,NA
+"24091","4-Hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-one",NA,"C1CCC(=O)C2=C(C1)C=CC=C2O","CMBPOXXNLJWMMA-UHFFFAOYSA-N",384353,NA,"PDBC24091","674060","Present",NA,NA
+"24092","4-Hydroxy-6-allyl-8-methoxyflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-6-allyl-8-methoxy flavan",NA,"COC1=CC(=CC2=C1OC(CC2O)C3=CC=CC=C3)CC=C","ORUKTCUIKZCRKO-UHFFFAOYSA-N",369608,NA,"PDBC24092","641518","Present",NA,NA
+"24093","4-Hydroxy-6-methoxy-5-methyl-3-(3-methyl-2-butenyl)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-6-methoxy-5-methyl-3-(3-methyl-2-butenyl)-2H-chromen-2-one",NA,"CC1=C(C=CC2=C1C(=C(C(=O)O2)CC=C(C)C)O)OC","DTYFCYVJWTYSBV-UHFFFAOYSA-N",54681654,NA,"PDBC24093","666103","Present",NA,NA
+"24094","4-Hydroxy-6-methyl-3-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-6-methyl-3-[(E)-C-methyl-N-(N-phenylanilino)carbonimidoyl]pyran-2-one",NA,"CC1=CC(=C(C(=O)O1)C(=NN(C2=CC=CC=C2)C3=CC=CC=C3)C)O","CPMSDWKLQXVAJD-RCCKNPSSSA-N",135455596,NA,"PDBC24094","618491","Present",NA,NA
+"24095","4-Hydroxy-6-methyl-3-[(E)-C-methyl-N-(methylamino)carbonimidoyl]pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-6-methyl-3-[(E)-C-methyl-N-(methylamino)carbonimidoyl]pyran-2-one",NA,"CC1=CC(=C(C(=O)O1)C(=NNC)C)O","TVNOWMOZRCTHLZ-IZZDOVSWSA-N",135455598,NA,"PDBC24095","618494","Present",NA,NA
+"24096","4-Hydroxy-7,8-dimethoxy-3-(p-tolylsulfonyl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-7,8-dimethoxy-3-(p-tolylsulfonyl)chromen-4-one",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=C(C(=C(C=C3)OC)OC)OC2=O)O","JSWHMIHLYHDNPX-UHFFFAOYSA-N",54690910,NA,"PDBC24096","695621","Present",NA,NA
+"24097","4-Hydroxy-7-benzyloxyquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CH-382",NA,"C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)C(=CN3)C(=O)O","ABQKYBVDVAXVNO-UHFFFAOYSA-N",328505,NA,"PDBC24097","306960","Present",NA,NA
+"24098","4-Hydroxy-8-methyl-2-phenylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OR309299",NA,"CC1=C2C(=CC=C1)C(=O)C=C(N2)C3=CC=CC=C3","NGUWFPQUQMBYJN-UHFFFAOYSA-N",373179,NA,"PDBC24098","649128","Present",NA,NA
+"24099","4-Hydroxy-8-methyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NS-01470",NA,"CC1=C2C(=CC=C1)C(=CC(=O)O2)O","SWTGXRICOTZSFY-UHFFFAOYSA-N",54676122,NA,"PDBC24099","627380","Present",NA,NA
+"24100","4-Hydroxy-8-methyl-7-(1-naphthylmethoxy)chromene-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-8-methyl-7-(1-naphthylmethoxy)chromene-2-thione",NA,"CC1=C(C=CC2=C1OC(=CC2=O)S)OCC3=CC=CC4=CC=CC=C43","NKWSRMXYLDEGLN-UHFFFAOYSA-N",387309,NA,"PDBC24100","681022","Present",NA,NA
+"24101","4-Hydroxy-8-nitro-2-oxo-3,4-dihydrochromene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-8-nitro-2-oxo-3,4-dihydro-2H-chromene-3-carboxylic acid",NA,"C1=CC2=C(C(=C1)[N+](=O)[O-])OC(=O)C(C2O)C(=O)O","QTLKWSZXEBWSAU-UHFFFAOYSA-N",271639,NA,"PDBC24101","115548","Present",NA,NA
+"24102","4-Hydroxy-8-oxobicyclo[3.2.1]octane-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-8-oxobicyclo[3.2.1]octane-1-carbonitrile",NA,"C1CC2(CCC(C1C2=O)O)C#N","KKHPRVORGDVQTA-UHFFFAOYSA-N",371767,NA,"PDBC24102","646210","Present",NA,NA
+"24103","4-Hydroxy-9-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-9-methoxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione",NA,"CC1(CC(C2=C(O1)C(=O)C3=C(C2=O)C=CC=C3OC)O)C","KHFQDZMHUKNPEI-UHFFFAOYSA-N",386660,NA,"PDBC24103","679186","Present",NA,NA
+"24104","4-Hydroxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide",NA,"C1=CC(=CC=C1C(=O)NCCOCCO)O","YMSBWVMBASYLOC-UHFFFAOYSA-N",360166,NA,"PDBC24104","622099","Present",NA,NA
+"24105","4-Hydroxy-N-methoxy-N-methylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-33563",NA,"CN(C(=O)CCCO)OC","AIKUJZQXDGQFOR-UHFFFAOYSA-N",370774,NA,"PDBC24105","644297","Present",NA,NA
+"24106","4-Hydroxyaminoquinoline 1-oxide monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t66 bnj bo emq &gh",NA,"C1=CC=C2C(=C1)C(=NO)C=CN2O.[Cl-]","QSXDAZCGWHRQME-DQMXGCRQSA-M",54599544,NA,"PDBC24106","78572","Present",NA,NA
+"24107","4-Hydroxybenzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxybenzo[7]annulen-5-one",NA,"C1=CC2=C(C(=O)C=C1)C(=CC=C2)O","RKYXTQSVLVTUHR-UHFFFAOYSA-N",5387568,NA,"PDBC24107","624776","Present",NA,NA
+"24108","4-Hydroxybenzo[b]acridine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxybenzo[b]acridine-6,11-dione",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N=C4C(=C3)C=CC=C4O","VCRWCHGPFSJJIG-UHFFFAOYSA-N",370220,NA,"PDBC24108","642964","Present",NA,NA
+"24109","4-Hydroxybut-2-ynoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1204AC",NA,"C(C#CC(=O)O)O","QVYMWMSAXULCMW-UHFFFAOYSA-N",359297,NA,"PDBC24109","620042","Present",NA,NA
+"24110","4-Hydroxycoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzotetronic acid",NA,"C1=CC=C2C(=C1)C(=CC(=O)O2)O","VXIXUWQIVKSKSA-UHFFFAOYSA-N",54682930,NA,"PDBC24110","11889","Present",NA,NA
+"24111","4-Hydroxydodec-2-ynamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxydodec-2-ynamide",NA,"CCCCCCCCC(C#CC(=O)N)O","TUKKBKSLJNRWOH-UHFFFAOYSA-N",332722,NA,"PDBC24111","331766","Present",NA,NA
+"24112","4-Hydroxyproline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-hydroxyproline",NA,"C1C(CNC1C(=O)O)O","PMMYEEVYMWASQN-UHFFFAOYSA-N",825,NA,"PDBC24112","206274","Present",NA,NA
+"24113","4-Hydroxyquinoline-3-carboxylic acid deriv.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL323310",NA,"C=CCN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)O","NQUWFGFEYQNQPA-UHFFFAOYSA-N",54680428,NA,"PDBC24113","675792","Present",NA,NA
+"24114","4-Hydroxysapriparaquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-sapriparaquinone",NA,"CC1=C(C2=C(C=C1)C(=C(C(=O)C2=O)C(C)C)O)CCCC(C)(C)O","JXUXYSQVWDPEEX-UHFFFAOYSA-N",372742,NA,"PDBC24114","648342","Present",NA,NA
+"24115","4-Hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1',3'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxyspiro[1,2-dihydroindene-3,2'-cyclopentane]-1',3'-dione",NA,"C1CC(=O)C2(C1=O)CCC3=C2C(=CC=C3)O","JECZIBQJABUSGL-UHFFFAOYSA-N",360673,NA,"PDBC24115","622991","Present",NA,NA
+"24116","4-Hydroxystachydrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-hydroxy-stachydrine",NA,"C[N+]1(CC(CC1C(=O)[O-])O)C","MUNWAHDYFVYIKH-PRJDIBJQSA-N",375481,NA,"PDBC24116","655264","Present",NA,NA
+"24117","4-Imidazo[2,1-b][1,3]thiazol-6-yl-5-nitrobenzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Imidazo[2,1-b][1,3]thiazol-6-yl-5-nitrobenzene-1,2-diol",NA,"C1=CSC2=NC(=CN21)C3=CC(=C(C=C3[N+](=O)[O-])O)O","ZZKFODLJYUVDHB-UHFFFAOYSA-N",24205086,NA,"PDBC24117","734219","Present",NA,NA
+"24118","4-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Imidazo[2,1-b][1,3]thiazol-6-ylbenzene-1,2-diol",NA,"C1=CC(=C(C=C1C2=CN3C=CSC3=N2)O)O","XQIPURLLTAKOMI-UHFFFAOYSA-N",11368260,NA,"PDBC24118","734220","Present",NA,NA
+"24119","4-Imidazolidinecarboxylic acid, 5-[(aminocarbonyl)amino]-2-oxo-1,3-bis(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dibenzyl-5-(carbamoylamino)-2-oxoimidazolidine-4-carboxylic acid",NA,"C1=CC=C(C=C1)CN2C(C(N(C2=O)CC3=CC=CC=C3)NC(=O)N)C(=O)O","KBAMQSBJKLGFGF-UHFFFAOYSA-N",368269,NA,"PDBC24119","638725","Present",NA,NA
+"24120","4-Imidazolidinecarboxylic acid, 5-[(aminocarbonyl)amino]-2-oxo-1,3-bis(phenylmethyl)-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,3-dibenzyl-5-(carbamoylamino)-2-oxoimidazolidine-4-carboxylate",NA,"CCOC(=O)C1C(N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)N","QUAHIQSUJSPESD-UHFFFAOYSA-N",368268,NA,"PDBC24120","638724","Present",NA,NA
+"24121","4-Imidazolidinone, 3-hydroxy-2,2,5,5-tetramethyl-1-nitroso-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Imidazolidinone, 3-hydroxy-2,2,5,5-tetramethyl-1-nitroso-",NA,"CC1(C(=O)N(C(N1N=O)(C)C)O)C","HSYRZAQQWNANDG-UHFFFAOYSA-N",378669,NA,"PDBC24121","661466","Present",NA,NA
+"24122","4-Imidazolidinone, 5-(1-methylethyl)-3-(pentafluorophenyl)-1-[2-(phenylsulfinyl)ethyl]-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Imidazolidinone, 5-(1-methylethyl)-3-(pentafluorophenyl)-1-[2-(phenylsulfinyl)ethyl]-2-thioxo-",NA,"CC(C)C1C(=O)N(C(=S)N1CCS(=O)C2=CC=CC=C2)C3=C(C(=C(C(=C3F)F)F)F)F","AESMQOQXEXROQB-UHFFFAOYSA-N",386073,NA,"PDBC24122","677646","Present",NA,NA
+"24123","4-Imino-3,8-diphenyl-5-(p-tolyl)-1H-pyrido[2,3-d]pyrimidine-2,7-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Imino-3,8-diphenyl-5-(p-tolyl)-1H-pyrido[2,3-d]pyrimidine-2,7-dithione",NA,"CC1=CC=C(C=C1)C2=CC(=S)N(C3=NC(=S)N(C(=C23)N)C4=CC=CC=C4)C5=CC=CC=C5","QUXIDKHYGZLMSZ-UHFFFAOYSA-N",3004426,NA,"PDBC24123","652279","Present",NA,NA
+"24124","4-Imino-3-methyl-3,4,5,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-1,6(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Imino-3-methyl-3,4,5,7-tetrahydro-1H-pyrrolo[3,4-c]pyridine-1,6(2H)-dione",NA,"CC1C2=C(CC(=O)N=C2N)C(=O)N1","IUDKYLYSBHWDOM-UHFFFAOYSA-N",369984,NA,"PDBC24124","642506","Present",NA,NA
+"24125","4-Imino-3-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Imino-3-methyl-5,6,7,8-tetrahydro-1H-benzothiopheno[2,3-d]pyrimidin-2-one",NA,"CN1C(=C2C3=C(CCCC3)SC2=NC1=O)N","FCYSJAMFZDTCSI-UHFFFAOYSA-N",386693,NA,"PDBC24125","679223","Present",NA,NA
+"24126","4-Imino-6,8-dimethyl-1,4-dihydro-1,2,4-triazino-[4,3-e]purine-7,9(6h,8h)-dione-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-6,8-dimethyl-7,9-dioxopurino[8,9-c][1,2,4]triazine-3-carbonitrile",NA,"CN1C2=C(C(=O)N(C1=O)C)N=C3N2C(=C(N=N3)C#N)N","XXBZUFNNHXTBSP-UHFFFAOYSA-N",404389,NA,"PDBC24126","720606","Present",NA,NA
+"24127","4-Imino-9,9-dimethoxy-furo[3,2-g]chromen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Imino-9,9-dimethoxy-furo[3,2-g]chromen-7-one",NA,"COC1(C2=C(C=CC(=O)O2)C(=N)C3=C1OC=C3)OC","VJZJHRJJIFNKED-UHFFFAOYSA-N",391136,NA,"PDBC24127","689862","Present",NA,NA
+"24128","4-Imino-N-pentyl-1,2,5-oxadiazol-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Imino-N-pentyl-1,2,5-oxadiazol-3-amine",NA,"CCCCCNC1=NON=C1N","ZGNGVWAGEYCMLK-UHFFFAOYSA-N",392980,NA,"PDBC24128","694222","Present",NA,NA
+"24129","4-Indanamine, N-(2-oxazolinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-81071",NA,"C1CC2=C(C1)C(=CC=C2)NC3=NCCO3","SQFANIIAUQAPRG-UHFFFAOYSA-N",379597,NA,"PDBC24129","664292","Present",NA,NA
+"24130","4-Iodo-2-isothiocyanato-1-methylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-isothiocyanato-1-methylbenzene",NA,"CC1=C(C=C(C=C1)I)N=C=S","WAPWMDSBINGNQB-UHFFFAOYSA-N",280607,NA,"PDBC24130","132390","Present",NA,NA
+"24131","4-Iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[(2-morpholin-4-ylethylamino)methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CNCCN2CCOCC2)I.Cl","DBGFSIOLVVGJNH-UHFFFAOYSA-N",45028509,NA,"PDBC24131","743060","Present",NA,NA
+"24132","4-Iodo-2-methyl-6-[(3-thiomorpholin-4-ylpropylamino)methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[(3-thiomorpholin-4-ylpropylamino)methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CNCCCN2CCSCC2)I.Cl","CRCXMLIBYCDWNE-UHFFFAOYSA-N",45028527,NA,"PDBC24132","743070","Present",NA,NA
+"24133","4-Iodo-2-methyl-6-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCN2CCOCC2)I.Cl","MMQLFTLBESZHDY-UHFFFAOYSA-N",45028507,NA,"PDBC24133","743059","Present",NA,NA
+"24134","4-Iodo-2-methyl-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCN2CCCC2)I.Cl","YDDBONWDAWRHQL-UHFFFAOYSA-N",45028511,NA,"PDBC24134","743061","Present",NA,NA
+"24135","4-Iodo-2-methyl-6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[[methyl(3-morpholin-4-ylpropyl)amino]methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCCN2CCOCC2)I.Cl","MTFAJOUHYQDBCS-UHFFFAOYSA-N",45028506,NA,"PDBC24135","743058","Present",NA,NA
+"24136","4-Iodo-2-methyl-6-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCCN2CCCCC2)I.Cl","QXINGRVGTRKYBN-UHFFFAOYSA-N",45028514,NA,"PDBC24136","743063","Present",NA,NA
+"24137","4-Iodo-2-methyl-6-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[[methyl(3-pyrrolidin-1-ylpropyl)amino]methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCCN2CCCC2)I.Cl","SKUXFZDDXIUWPI-UHFFFAOYSA-N",45028513,NA,"PDBC24137","743062","Present",NA,NA
+"24138","4-Iodo-2-methyl-6-[[methyl(3-thiomorpholin-4-ylpropyl)amino]methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[[methyl(3-thiomorpholin-4-ylpropyl)amino]methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCCN2CCSCC2)I.Cl","YIGCRMKURBBDAX-UHFFFAOYSA-N",45028525,NA,"PDBC24138","743069","Present",NA,NA
+"24139","4-Iodo-2-methyl-6-[[methyl(4-piperidin-1-ylbutyl)amino]methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[[methyl(4-piperidin-1-ylbutyl)amino]methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCCCN2CCCCC2)I.Cl","FQQMKBCFZABIHK-UHFFFAOYSA-N",45028523,NA,"PDBC24139","743068","Present",NA,NA
+"24140","4-Iodo-2-methyl-6-[[methyl(4-pyrrolidin-1-ylbutyl)amino]methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[[methyl(4-pyrrolidin-1-ylbutyl)amino]methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCCCN2CCCC2)I.Cl","JSYVXIKQGMVDCH-UHFFFAOYSA-N",45028515,NA,"PDBC24140","743064","Present",NA,NA
+"24141","4-Iodo-2-methyl-6-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[[methyl-[3-(4-methylpiperazin-1-yl)propyl]amino]methyl]phenol;hydrochloride",NA,"CC1=CC(=CC(=C1O)CN(C)CCCN2CCN(CC2)C)I.Cl","SGUMNJSBULSUPZ-UHFFFAOYSA-N",45028537,NA,"PDBC24141","743075","Present",NA,NA
+"24142","4-Iodo-2-methyl-6-[[methyl-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-2-methyl-6-[[methyl-[3-(4-methylpiperidin-1-yl)propyl]amino]methyl]phenol;hydrochloride",NA,"CC1CCN(CC1)CCCN(C)CC2=C(C(=CC(=C2)I)C)O.Cl","HEFVXFYRFXHWDE-UHFFFAOYSA-N",45028535,NA,"PDBC24142","743074","Present",NA,NA
+"24143","4-Iodo-3-aminobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-3-aminobenzamide",NA,"C1=CC(=C(C=C1C(=O)N)N)I","FCKRJXJKNQKDRV-UHFFFAOYSA-N",24799919,NA,"PDBC24143","753688","Present",NA,NA
+"24144","4-Iodo-3-nitrosobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-3-nitrosobenzamide",NA,"C1=CC(=C(C=C1C(=O)N)N=O)I","IRIFRGXKPWAGNP-UHFFFAOYSA-N",10333641,NA,"PDBC24144","753689","Present",NA,NA
+"24145","4-Iodo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid",NA,"CC1=NOC(=C1)C2=C(C=C(N2)C(=O)O)I","JLLYJTMMRKNJRI-UHFFFAOYSA-N",392917,NA,"PDBC24145","694101","Present",NA,NA
+"24146","4-Iodo-N,N-diisopropyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-N,N-diisopropyl-1-cubanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45I","WCVGLNVAMUMZJP-UHFFFAOYSA-N",369187,NA,"PDBC24146","640893","Present",NA,NA
+"24147","4-Iodo-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-N-phenylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodo-N-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)-N-phenylbenzenesulfonamide",NA,"C1=CC=C(C=C1)N(S(=O)(=O)C2=CC=C(C=C2)I)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","JCGLIQAQERTLFS-UHFFFAOYSA-N",403682,NA,"PDBC24147","718806","Present",NA,NA
+"24148","4-Iodo-N-(2-(4-morpholinyl)ethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ro 11-9900",NA,"C1COCCN1CCNC(=O)C2=CC=C(C=C2)I","SRCOTPAWAAQWLW-UHFFFAOYSA-N",198477,NA,"PDBC24148","665375","Present",NA,NA
+"24149","4-Iodobenzo[d][1,3]dioxole-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH4337955",NA,"C1OC2=C(O1)C(=C(C=C2)C=O)I","ARKKTWBAEZXJQO-UHFFFAOYSA-N",372296,NA,"PDBC24149","647355","Present",NA,NA
+"24150","4-Iodocubane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Iodocubane-1-carboxylic acid",NA,"C12C3C4C1(C5C2C3(C45)I)C(=O)O","UQMHINRLKQGLQV-UHFFFAOYSA-N",369186,NA,"PDBC24150","640892","Present",NA,NA
+"24151","4-Ipomeanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-IPOMEANOL",NA,"CC(CCC(=O)C1=COC=C1)O","RJYQLMILDVERHH-UHFFFAOYSA-N",36284,NA,"PDBC24151","349438","Present",NA,NA
+"24152","4-Isonicotinoyl-3,5-diphenyl-1,7-di(4-pyridinyl)-1,7-heptanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Isonicotinoyl-3,5-diphenyl-1,7-di(4-pyridinyl)-1,7-heptanedione",NA,"C1=CC=C(C=C1)C(CC(=O)C2=CC=NC=C2)C(C(CC(=O)C3=CC=NC=C3)C4=CC=CC=C4)C(=O)C5=CC=NC=C5","BAIRWLPOLHKPMR-UHFFFAOYSA-N",392290,NA,"PDBC24152","692424","Present",NA,NA
+"24153","4-Isopropyl-1-phenyl-[1,2,4]triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Isopropyl-1-phenyl-[1,2,4]triazolidine-3,5-dione",NA,"CC(C)N1C(=O)NN(C1=O)C2=CC=CC=C2","HEFCYORAFRVAAZ-UHFFFAOYSA-N",390093,NA,"PDBC24153","687036","Present",NA,NA
+"24154","4-Isopropyl-2-(1-methoxy-2-naphthyl)-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Isopropyl-2-(1-methoxy-2-naphthyl)-4,5-dihydro-1,3-oxazole",NA,"CC(C)C1COC(=N1)C2=C(C3=CC=CC=C3C=C2)OC","FILGJUXQDDKPMD-UHFFFAOYSA-N",370748,NA,"PDBC24154","644271","Present",NA,NA
+"24155","4-Isopropyl-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Isopropyl-2-(3-methoxyphenyl)-4,5-dihydro-1,3-oxazole",NA,"CC(C)C1COC(=N1)C2=CC(=CC=C2)OC","SHTHIWBKEFNLPE-UHFFFAOYSA-N",370744,NA,"PDBC24155","644267","Present",NA,NA
+"24156","4-Isopropyl-2-methyl-1,3-oxazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Isopropyl-2-methyl-1,3-oxazol-5(4H)-one",NA,"CC1=NC(C(=O)O1)C(C)C","VSYHWTNTZROWMJ-UHFFFAOYSA-N",366908,NA,"PDBC24156","635968","Present",NA,NA
+"24157","4-Isopropyl-3-(isopropylamino)-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Isopropyl-3-(isopropylamino)-1H-1,2,4-triazol-5-one",NA,"CC(C)NC1=NNC(=O)N1C(C)C","GHWBEQHKDWCYSR-UHFFFAOYSA-N",391621,NA,"PDBC24157","691107","Present",NA,NA
+"24158","4-Isopropyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Isopropyl-5-(methylimino)-1,2,4-dithiazolidine-3-thione",NA,"CC(C)N1C(=NC)SSC1=S","UGMXQNSDZDWWPU-UHFFFAOYSA-N",375836,NA,"PDBC24158","656084","Present",NA,NA
+"24159","4-Isopropyl-7-[(4-isopropyl-6-methoxy-7-oxo-cyclohepta-1,3,5-trien-1-yl)-(4-methoxyphenyl)methyl]-2-methoxy-cyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-7-[(6-methoxy-7-oxo-4-propan-2-ylcyclohepta-1,3,5-trien-1-yl)-(4-methoxyphenyl)methyl]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one",NA,"CC(C)C1=CC=C(C(=O)C(=C1)OC)C(C2=CC=C(C=C2)OC)C3=CC=C(C=C(C3=O)OC)C(C)C","WJFOTWNIPNNKTM-UHFFFAOYSA-N",361698,NA,"PDBC24159","624920","Present",NA,NA
+"24160","4-Isopropyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-i-Propyl-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride",NA,"CC(C)C1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","QFCQZCWNORKKER-UHFFFAOYSA-N",373804,NA,"PDBC24160","650768","Present",NA,NA
+"24161","4-Isopropyl-N-(3,4,5-trimethoxybenzylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-i-Propyl-N-(3,4,5-trimethoxybenzylene)aniline",NA,"CC(C)C1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","BNJVKTRSEJDNPE-UHFFFAOYSA-N",373812,NA,"PDBC24161","650775","Present",NA,NA
+"24162","4-Isothiazolecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-cyanoisothiazole",NA,"C1=C(C=NS1)C#N","OCYPFRDEUKBLNI-UHFFFAOYSA-N",138077,NA,"PDBC24162","625191","Present",NA,NA
+"24163","4-Mercapto-6-((2,3,4,5,6-pentachlorobenzyl)thio)-1,3,5-triazin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Mercapto-6-((2,3,4,5,6-pentachlorobenzyl)thio)-1,3,5-triazin-2-ol",NA,"C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)SC2=NC(=S)NC(=O)N2","RGHGLIUDJMATHB-UHFFFAOYSA-N",3003880,NA,"PDBC24163","209931","Present",NA,NA
+"24164","4-Methoxy-1-[[1-[(2,3-dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[(4-Methoxypyrazolo[4,5-e]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,"COC1=NC=NC2=C1C=NN2CC3=CN(N=N3)COCC(CO)O","YSZQZNUFKPMQRS-UHFFFAOYSA-N",398134,NA,"PDBC24164","707561","Present",NA,NA
+"24165","4-Methoxy-1-methylpyridin-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-1-methylpyridin-1-ium;iodide",NA,"C[N+]1=CC=C(C=C1)OC.[I-]","MEHRYCVXEMWHSN-UHFFFAOYSA-M",359204,NA,"PDBC24165","619914","Present",NA,NA
+"24166","4-Methoxy-1-phenyl-1H-indazole-5-acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-81401",NA,"COC1=C(C=CC2=C1C=NN2C3=CC=CC=C3)CC(=O)OC","ZNRVIFBCDSXYAO-UHFFFAOYSA-N",378733,NA,"PDBC24166","661833","Present",NA,NA
+"24167","4-Methoxy-14-phenylsulfanyl-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-14-phenylsulfanyl-2,11-dioxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaen-10-one",NA,"COC1=C2C=C(CCC(=O)OCCC(C3=CC=C(O2)C=C3)SC4=CC=CC=C4)C=C1","ALLBCYIXUFOALQ-UHFFFAOYSA-N",388339,NA,"PDBC24167","683130","Present",NA,NA
+"24168","4-Methoxy-2,2,8,8-tetramethyl-hexahydro-1,3,5,7,9-pentaoxa-cyclopenta[a]naphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-2,2,8,8-tetramethyl-hexahydro-1,3,5,7,9-pentaoxa-cyclopenta[a]naphthalene",NA,"CC1(OCC2C(O1)C3C(C(O2)OC)OC(O3)(C)C)C","HKUZYSYUFMRRNR-UHFFFAOYSA-N",388759,NA,"PDBC24168","683837","Present",NA,NA
+"24169","4-Methoxy-2,3,5-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methoxy-2,6-bis[hydroxy(methyl)amino]-1,3,5-triazine",NA,"CN(C1=NC(=NC(=N1)OC)N(C)O)O","HQAHWTQLPXNUQZ-UHFFFAOYSA-N",46191705,NA,"PDBC24169","749909","Present",NA,NA
+"24170","4-Methoxy-2-(1-naphthylmethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-2-(1-naphthylmethyl)benzoic acid",NA,"COC1=CC(=C(C=C1)C(=O)O)CC2=CC=CC3=CC=CC=C32","FFBLTNMONYFQRW-UHFFFAOYSA-N",362075,NA,"PDBC24170","625597","Present",NA,NA
+"24171","4-Methoxy-2-(2-naphthylmethyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-2-(2-naphthylmethyl)benzoic acid",NA,"COC1=CC(=C(C=C1)C(=O)O)CC2=CC3=CC=CC=C3C=C2","DCQSZHWAMMEBFI-UHFFFAOYSA-N",362059,NA,"PDBC24171","625581","Present",NA,NA
+"24172","4-Methoxy-2-(methoxymethoxy)benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-39244",NA,"COCOC1=C(C=CC(=C1)OC)C=O","JJCXYLBDGWBBBP-UHFFFAOYSA-N",397421,NA,"PDBC24172","705167","Present",NA,NA
+"24173","4-Methoxy-2-[(E)-2-nitroethenyl]cyclohexan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-2-[(E)-2-nitroethenyl]cyclohexan-1-ol",NA,"COC1CCC(C(C1)C=C[N+](=O)[O-])O","QYXZOFLIRWHLBP-SNAWJCMRSA-N",5385422,NA,"PDBC24173","404886","Present",NA,NA
+"24174","4-Methoxy-2-[(Z)-(phenylhydrazinylidene)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-2-[(Z)-(phenylhydrazinylidene)methyl]phenol",NA,"COC1=CC(=C(C=C1)O)C=NNC2=CC=CC=C2","YMPXJVNODYUEOL-GDNBJRDFSA-N",135491062,NA,"PDBC24174","204682","Present",NA,NA
+"24175","4-Methoxy-2-nitrobenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KSC495O7F",NA,"COC1=CC(=C(C=C1)C=O)[N+](=O)[O-]","KLTDQLIGNSBZPO-UHFFFAOYSA-N",357691,NA,"PDBC24175","617208","Present",NA,NA
+"24176","4-Methoxy-2-phenyl-1H-pyrrolo[2,3-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-2-phenyl-1H-pyrrolo[2,3-d]pyridazine",NA,"COC1=C2C=C(NC2=CN=N1)C3=CC=CC=C3","XBUJBNGRWIIGKJ-UHFFFAOYSA-N",5471457,NA,"PDBC24176","711312","Present",NA,NA
+"24177","4-Methoxy-2-phenylpyrido[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-2-phenylpyrido[1,2-a]benzimidazole",NA,"COC1=CC(=CN2C1=NC3=CC=CC=C32)C4=CC=CC=C4","FPMGSWJXNWIVDN-UHFFFAOYSA-N",384467,NA,"PDBC24177","674269","Present",NA,NA
+"24178","4-Methoxy-2-pyridin-2-yl-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"US8748618, AI-4-52",NA,"COC1=CC=CC2=C1N=C(N2)C3=CC=CC=N3","CAMACGXEVMSAMT-UHFFFAOYSA-N",330939,NA,"PDBC24178","320656","Present",NA,NA
+"24179","4-Methoxy-3-((6-methoxy-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-3-((6-methoxy-1,3-benzodioxol-5-yl)(3,4,5-trimethoxyphenyl)methyl)-2(5H)-furanone",NA,"COC1=C(C(=O)OC1)C(C2=CC(=C(C(=C2)OC)OC)OC)C3=CC4=C(C=C3OC)OCO4","BIIJSIZRQISSMR-UHFFFAOYSA-N",380091,NA,"PDBC24179","665489","Present",NA,NA
+"24180","4-Methoxy-3-(3-methoxyphenyl)-N-[4-[(E)-2-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethenyl]phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3',6-dimethoxy-N-(4-(4-((1-methylpiperidin-4-yl)oxy)...",NA,"CN1CCC(CC1)OC2=CC=C(C=C2)C=CC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)C5=CC(=CC=C5)OC","VNRXMBOHLCIKQQ-BQYQJAHWSA-N",155807190,NA,"PDBC24180","797898","Present",NA,NA
+"24181","4-Methoxy-3-[[3-[[4-[(4-methoxy-3-quinolyl)sulfanyl]-3-quinolyl]sulfanylmethylsulfanyl]-4-quinolyl]sulfanyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-3-[3-[[4-(4-methoxyquinolin-3-yl)sulfanylquinolin-3-yl]sulfanylmethylsulfanyl]quinolin-4-yl]sulfanylquinoline",NA,"COC1=C(C=NC2=CC=CC=C21)SC3=C(C=NC4=CC=CC=C43)SCSC5=C(C6=CC=CC=C6N=C5)SC7=C(C8=CC=CC=C8N=C7)OC","GTVMXVJSJLITHC-UHFFFAOYSA-N",393153,NA,"PDBC24181","694564","Present",NA,NA
+"24182","4-Methoxy-3-nitro-N-phenylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Nitro-p-anisanilide",NA,"COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)[N+](=O)[O-]","YKOCPBMVMBUTAX-UHFFFAOYSA-N",7331,NA,"PDBC24182","50649","Present",NA,NA
+"24183","4-Methoxy-3H-phenanthro[9,10-d]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-3H-phenanthro[9,10-d]imidazole",NA,"COC1=CC=CC2=C1C3=C(C4=CC=CC=C24)N=CN3","DIZVLGVGMAUZHV-UHFFFAOYSA-N",395747,NA,"PDBC24183","700547","Present",NA,NA
+"24184","4-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-6a,12a-dihydro-6H,7H-chromeno[4,3-b]chromene",NA,"COC1=CC=CC2=C1OCC3C2OC4=CC=CC=C4C3","RPAWZCPKBNNXHU-UHFFFAOYSA-N",387588,NA,"PDBC24184","681597","Present",NA,NA
+"24185","4-Methoxy-7-phenyl-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyloxymethyl-4-methoxy-7-pheny l-5H-pyrrolo[3,2-d]p...",NA,"COC1=NC=NC2=C1N(C=C2C3=CC=CC=C3)COCC4=CC=CC=C4","IQEMGHFNSAHCHO-UHFFFAOYSA-N",155804975,NA,"PDBC24185","754811","Present",NA,NA
+"24186","4-Methoxy-7-phenyl-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-7-phenyl-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole",NA,"COC1=CC2=NN(N=C2C3=NON=C13)C4=CC=CC=C4","RTCKXCZPNDXXDC-UHFFFAOYSA-N",379414,NA,"PDBC24186","663956","Present",NA,NA
+"24187","4-Methoxy-8-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-8-methyl-7-phenylpyrazolo[5,1-c][1,2,4]triazine",NA,"CC1=C2N=NC=C(N2N=C1C3=CC=CC=C3)OC","DYDICCJCIZKTSS-UHFFFAOYSA-N",394453,NA,"PDBC24187","697927","Present",NA,NA
+"24188","4-Methoxy-9-oxo-6,9-dihydro-5H-benzo[a]cyclohepten-1-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-9-oxo-6,9-dihydro-5H-benzo[a]cyclohepten-1-yl acetate",NA,"CC(=O)OC1=C2C(=C(C=C1)OC)CCC=CC2=O","RSQBNLPMBPKSEU-UHFFFAOYSA-N",361611,NA,"PDBC24188","624796","Present",NA,NA
+"24189","4-Methoxy-N'-(3,6,8-tetramethyl-1-oxo-3,4-dihydronaphthalen-2(1H)-ylidene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-N'-(3,3,6,8-tetramethyl-1-oxo-3,4-dihydronapht...",NA,"CC1=CC(=C2C(=C1)CC(C(=NNC(=O)C3=CC=C(C=C3)OC)C2=O)(C)C)C","JLXKWJGTZIPHBG-BSYVCWPDSA-N",5771675,NA,"PDBC24189","310343","Present",NA,NA
+"24190","4-Methoxy-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,"COC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)C","UAMYEQHRQGNODE-UHFFFAOYSA-N",368839,NA,"PDBC24190","640164","Present",NA,NA
+"24191","4-Methoxy-N-(1-(4-pyridinyl)ethylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-N-(1-(4-pyridinyl)ethylidene)aniline",NA,"CC(=NC1=CC=C(C=C1)OC)C2=CC=NC=C2","BPUCAMLLVBHOTF-UHFFFAOYSA-N",383461,NA,"PDBC24191","671847","Present",NA,NA
+"24192","4-Methoxy-N-(2,2,2-trifluoro-1-(((4-methylphenyl)sulfinyl)methyl)ethylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-N-(2,2,2-trifluoro-1-(((4-methylphenyl)sulfinyl)methyl)ethylidene)aniline",NA,"CC1=CC=C(C=C1)S(=O)CC(=NC2=CC=C(C=C2)OC)C(F)(F)F","KHWPZNXULSJWRN-UHFFFAOYSA-N",391998,NA,"PDBC24192","691787","Present",NA,NA
+"24193","4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4,5-Trimethoxybenzyl)-4-methoxyaniline",NA,"COC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC","VZXKFUZYRHTORS-UHFFFAOYSA-N",364716,NA,"PDBC24193","631374","Present",NA,NA
+"24194","4-Methoxy-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4,5-Trimethoxybenzyl)-4-methoxyaniline hydrochloride",NA,"COC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","LPQHSPCKVORGKS-UHFFFAOYSA-N",372855,NA,"PDBC24194","648543","Present",NA,NA
+"24195","4-Methoxy-N-(3,4,5-trimethoxybenzylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-N-(3,4,5-trimethoxybenzylene)aniline",NA,"COC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","OLLQPFXQODPYCB-UHFFFAOYSA-N",373989,NA,"PDBC24195","651019","Present",NA,NA
+"24196","4-Methoxy-N-(3-((4-methoxyphenyl)imino)-1-propenyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-N-(3-((4-methoxyphenyl)imino)-1-propenyl)aniline",NA,"COC1=CC=C(C=C1)NC=CC=NC2=CC=C(C=C2)OC","LORCEWWAJPOOFS-OCYUQXDLSA-N",5907478,NA,"PDBC24196","676466","Present",NA,NA
+"24197","4-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-N-(4-methoxyphenyl)benzenesulfinamide",NA,"COC1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)OC","IRPMIOYAHIORNC-UHFFFAOYSA-N",385381,NA,"PDBC24197","676555","Present",NA,NA
+"24198","4-Methoxy-N-[(4-methoxybenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-N-[(4-methoxybenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,"COC1=CC=C(C=C1)C(=O)N(CC2=CN=CC=C2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)OC","XRJSBMJMXOKISM-UHFFFAOYSA-N",401371,NA,"PDBC24198","714683","Present",NA,NA
+"24199","4-Methoxy-N-[3-(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-2-yl)phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methoxy-N-(3-(5,6,7-trimethoxy-4-oxochroman-2-yl)pheny...",NA,"COC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)C3CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC","DFCKZGPQEXPUQQ-UHFFFAOYSA-N",155817367,NA,"PDBC24199","798179","Present",NA,NA
+"24200","4-Methoxy-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-N-methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,"CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=C(C=C1)OC","OSSMOQNKKFMJAJ-UHFFFAOYSA-N",368840,NA,"PDBC24200","640165","Present",NA,NA
+"24201","4-Methoxy-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo[5,4-e]isoindol-6-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methoxy-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-i...",NA,"COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=C(C=C4)OC)CCC5=C3ON=C5","JSHPAVXOZAPEHH-UHFFFAOYSA-N",60148279,NA,"PDBC24201","754085","Present",NA,NA
+"24202","4-Methoxy-alpha-pyridylbenzyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z2379087677",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=N2)O","OQFKODRWEHYZQP-UHFFFAOYSA-N",99004,NA,"PDBC24202","163361","Present",NA,NA
+"24203","4-Methoxy-beta-nitrostyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-",NA,"COC1=CC=C(C=C1)C=C[N+](=O)[O-]","JKQUXSHVQGBODD-VOTSOKGWSA-N",697963,NA,"PDBC24203","23856","Present",NA,NA
+"24204","4-Methoxyamphetamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Methyl-.beta.-(p-methoxyphenyl)ethylamine",NA,"CC(CC1=CC=C(C=C1)OC)N","NEGYEDYHPHMHGK-UHFFFAOYSA-N",31721,NA,"PDBC24204","32757","Present",NA,NA
+"24205","4-Methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxybenzaldehyde (4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)hydrazone",NA,"COC1=CC=C(C=C1)C=NNC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4","BUUNURYMLXPEPA-HZHRSRAPSA-N",9571454,NA,"PDBC24205","666356","Present",NA,NA
+"24206","4-Methoxybenzeneacrylic acid 3,5-dihydroxyphenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC175296",NA,"COC1=CC=C(C=C1)C=CC(=O)OC2=CC(=CC(=C2)O)O","MFSAWRZYKSSGKY-QPJJXVBHSA-N",5351253,NA,"PDBC24206","175296","Present",NA,NA
+"24207","4-Methoxybenzyl 1-(((1-(aminocarbonyl)-4-methoxybutyl)amino)carbonyl)-3-methylbutylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxybenzyl 1-(((1-(aminocarbonyl)-4-methoxybutyl)amino)carbonyl)-3-methylbutylcarbamate",NA,"CC(C)CC(C(=O)NC(CCCOC)C(=O)N)NC(=O)OCC1=CC=C(C=C1)OC","BCHHPJSWWFXRKG-UHFFFAOYSA-N",382704,NA,"PDBC24207","670352","Present",NA,NA
+"24208","4-Methoxybenzyl 2-((3-acetyl-2-phenyl-1,3-thiazolidin-4-yl)carbonyl)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxybenzyl 2-((3-acetyl-2-phenyl-1,3-thiazolidin-4-yl)carbonyl)hydrazinecarboxylate",NA,"CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NNC(=O)OCC3=CC=C(C=C3)OC","JULVIBILHMRRNE-UHFFFAOYSA-N",381979,NA,"PDBC24208","669299","Present",NA,NA
+"24209","4-Methoxybicyclo[2.2.2]octa-2,5-diene-3-carbonitrile; 4-methoxybicyclo[2.2.2]oct-2-en-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimer of 1-methoxybicyclo[2.2.2]oct-5-en-2-one and 2-cya...",NA,"COC12CCC(CC1=O)C=C2.COC12CCC(C=C1)C=C2C#N","UXCJFIDQWGIKQX-UHFFFAOYSA-N",377221,NA,"PDBC24209","658457","Present",NA,NA
+"24210","4-Methoxycarbonylcubanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZXBA000421",NA,"COC(=O)C12C3C4C1C5C2C3C45C(=O)O","ARRJEFLYRAVFJA-UHFFFAOYSA-N",369179,NA,"PDBC24210","640885","Present",NA,NA
+"24211","4-Methoxydalbergione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DALBERGIONE",NA,"COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2","RGSUZUQISVAJJF-UHFFFAOYSA-N",99926,NA,"PDBC24211","269121","Present",NA,NA
+"24212","4-Methoxyfluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48269",NA,"COC1=CC=CC2=C1C3=CC=CC=C3C2=O","HJJLIJKROVLQPG-UHFFFAOYSA-N",241139,NA,"PDBC24212","48269","Present",NA,NA
+"24213","4-Methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hqmme",NA,"COC1=CC=C(C=C1)O","NWVVVBRKAWDGAB-UHFFFAOYSA-N",9015,NA,"PDBC24213","4960","Present",NA,NA
+"24214","4-Methoxyphenyl 2,3,4-tri-O-benzylhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Tribenzyloxy-6-(4-methoxyphenoxy)tetrahydropyran-2-yl]methanol",NA,"COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","WNPZBHFSUQAYQA-UHFFFAOYSA-N",380509,NA,"PDBC24214","666124","Present",NA,NA
+"24215","4-Methyl-1,1-diphenyl-1,2,3,4-tetrahydrobenzo(h)phosphinolinium hexafluorophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1,1-diphenyl-1,2,3,4-tetrahydrobenzo(h)phosphinolinium hexafluorophosphate",NA,"CC1CC[P+](C2=C1C=CC3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5.F[P-](F)(F)(F)(F)F","LVIVKPZSJGBMDL-UHFFFAOYSA-N",498151,NA,"PDBC24215","245398","Present",NA,NA
+"24216","4-Methyl-1,1-diphenylphosphinan-1-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1,1-diphenylphosphinan-1-ium;bromide",NA,"CC1CC[P+](CC1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","PBWCXYPQXBFZBV-UHFFFAOYSA-M",357557,NA,"PDBC24216","617035","Present",NA,NA
+"24217","4-Methyl-1,2,3-benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1,2,3-benzodithiazol-1-ium;chloride",NA,"CC1=CC=CC2=[S+]SN=C12.[Cl-]","QPWXLJAXRRJZQH-UHFFFAOYSA-M",24202293,NA,"PDBC24217","636818","Present",NA,NA
+"24218","4-Methyl-1,2-bis(trifluoromethyl)-1,2,3,6-tetrahydro-1,2-diphosphinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1,2-bis(trifluoromethyl)-1,2,3,6-tetrahydro-1,2-diphosphinine",NA,"CC1=CCP(P(C1)C(F)(F)F)C(F)(F)F","WYEKHOCKDGBCGV-UHFFFAOYSA-N",371328,NA,"PDBC24218","645455","Present",NA,NA
+"24219","4-Methyl-1,4-benzotriazin-3(4H)-imine 1-oxide, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1,2,4-benzotriazin-3(4H)-imine 1-oxide, hydroch...",NA,"CN1C2=CC=CC=C2[N+](=NC1=N)[O-].Cl","FSQDOLGJWFFQAJ-UHFFFAOYSA-N",360891,NA,"PDBC24219","623599","Present",NA,NA
+"24220","4-Methyl-1,6-dioxo-N-phenyl-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1,6-dioxo-N-phenyl-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide",NA,"CC1=NN(C(=O)C2N1C(=O)CC2)C(=O)NC3=CC=CC=C3","AAEQXYOYTYRWKS-UHFFFAOYSA-N",366810,NA,"PDBC24220","635582","Present",NA,NA
+"24221","4-Methyl-1-(1h-Pyrazol-4-Ylmethyl)-5-[(4-{[6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidin-4-Yl]amino}piperidin-1-Yl)methyl]-1h-Indole-2-Carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785346///NSC787039",NA,"CC1=C(C=CC2=C1C=C(N2CC3=CNN=C3)C#N)CN4CCC(CC4)NC5=C6C=C(SC6=NC=N5)CC(F)(F)F","DETOMBLLEOZTMZ-UHFFFAOYSA-N",91667931,NA,"PDBC24221","785346///787039","Present",NA,NA
+"24222","4-Methyl-1-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,"CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2)C)C)C","FDXUUZCYRVAOBZ-UHFFFAOYSA-N",391622,NA,"PDBC24222","691108","Present",NA,NA
+"24223","4-Methyl-1-(2,3,5,6-tetramethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-(2,3,5,6-tetramethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,"CC1=CC(=C(C(=C1C)N2C(=O)N(C(=O)N2)C)C)C","HRWBTRWSUHFLNK-UHFFFAOYSA-N",391626,NA,"PDBC24223","691112","Present",NA,NA
+"24224","4-Methyl-1-(2,4,6-trimethoxyphenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-(2,4,6-trimethoxyphenyl)-1,2,4-triazolidine-3,5-dione",NA,"CN1C(=O)NN(C1=O)C2=C(C=C(C=C2OC)OC)OC","SVQRMOWLHPAGRY-UHFFFAOYSA-N",391921,NA,"PDBC24224","691601","Present",NA,NA
+"24225","4-Methyl-1-(2,4,6-trimethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-(2,4,6-trimethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,"CC1=CC(=C(C(=C1)C)N2C(=O)N(C(=O)N2)C)C","WMJTVRLIDQVBTG-UHFFFAOYSA-N",391916,NA,"PDBC24225","691596","Present",NA,NA
+"24226","4-Methyl-1-(2-naphthyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-naphthalen-2-yl-1,2,4-triazolidine-3,5-dione",NA,"CN1C(=O)NN(C1=O)C2=CC3=CC=CC=C3C=C2","OKTQLFFYAYVYNP-UHFFFAOYSA-N",391907,NA,"PDBC24226","691588","Present",NA,NA
+"24227","4-Methyl-1-(2-piperidin-1-ylethylamino)thioxanthen-9-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioxanthen-9-one, 4-methyl-1-(2-piperidinoethylamino)-,...",NA,"CC1=C2C(=C(C=C1)NCCN3CCCCC3)C(=O)C4=CC=CC=C4S2.Cl","DAUORLBXMJFZCZ-UHFFFAOYSA-N",21144135,NA,"PDBC24227","15791","Present",NA,NA
+"24228","4-Methyl-1-(4-methyl-2-nitro-phenyl)sulfonyl-2-nitro-benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-(4-methyl-2-nitro-phenyl)sulfonyl-2-nitro-benzene",NA,"CC1=CC(=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]","GUQSICBSGMOVMZ-UHFFFAOYSA-N",376217,NA,"PDBC24228","656835","Present",NA,NA
+"24229","4-Methyl-1-(4-methyl-3-oxo-pent-1-enylsulfanyl)-pent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-(4-methyl-3-oxo-pent-1-enylsulfanyl)-pent-1-e...",NA,"CC(C)C(=O)C=CSC=CC(=O)C(C)C","ONAUZVDOKWEALW-KQQUZDAGSA-N",5473097,NA,"PDBC24229","723655","Present",NA,NA
+"24230","4-Methyl-1-(4-methylphenoxy)-2-nitro-benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-(4-methylphenoxy)-2-nitrobenzene",NA,"CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C)[N+](=O)[O-]","GAELYEOYUVALJL-UHFFFAOYSA-N",361284,NA,"PDBC24230","624227","Present",NA,NA
+"24231","4-Methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-[(2,3,4,5,6-pentamethylphenyl)methyl]-1,2,4-triazolidine-3,5-dione",NA,"CC1=C(C(=C(C(=C1C)C)CN2C(=O)N(C(=O)N2)C)C)C","IZSANDTYHJLTGD-UHFFFAOYSA-N",391922,NA,"PDBC24231","691602","Present",NA,NA
+"24232","4-Methyl-1-[3-[4-[3-[(4-methyl-9-oxothioxanthen-1-yl)amino]propyl]piperazin-1-yl]propylamino]thioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-[3-[4-[3-[(4-methyl-9-oxothioxanthen-1-yl)ami...",NA,"CC1=C2C(=C(C=C1)NCCCN3CCN(CC3)CCCNC4=C5C(=C(C=C4)C)SC6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7S2","ZCEQSFLZLVZRGS-UHFFFAOYSA-N",354500,NA,"PDBC24232","606458","Present",NA,NA
+"24233","4-Methyl-1-[4-methyl-3,5-dioxo-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methyl-1-[4-methyl-3,5-dioxo-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidin-1-yl]-2-(2,3,4,5,6-pentamethylphenyl)-1,2,4-triazolidine-3,5-dione",NA,"CC1=C(C(=C(C(=C1C)C)N2C(=O)N(C(=O)N2N3C(=O)N(C(=O)N3C4=C(C(=C(C(=C4C)C)C)C)C)C)C)C)C","JBBSSXMIDKEWFY-UHFFFAOYSA-N",391923,NA,"PDBC24233","691603","Present",NA,NA
+"24234","4-Methyl-1-benzoxepine-2,3-dione 3-(phenylhydrazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686474",NA,"CC1=CC2=CC=CC=C2OC(=O)C1=NNC3=CC=CC=C3","GYEOMIMUADZIAD-MNDPQUGUSA-N",5466359,NA,"PDBC24234","686474","Present",NA,NA
+"24235","4-Methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1,2,4-benzotriazin-3(4H)-imine 1-oxide",NA,"CN1C2=CC=CC=C2[N+](=NC1=N)[O-]","TVERWXXWVJCVKY-UHFFFAOYSA-N",360889,NA,"PDBC24235","623596","Present",NA,NA
+"24236","4-Methyl-1-phenyl-1lambda5-phosphepane 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-phenyl-1lambda5-phosphepane 1-oxide",NA,"CC1CCCP(=O)(CC1)C2=CC=CC=C2","TVYJSCAQHHKNTM-UHFFFAOYSA-N",357568,NA,"PDBC24236","617051","Present",NA,NA
+"24237","4-Methyl-1-phenyl-1lambda5-phosphinane 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-phenyl-1lambda5-phosphinane 1-oxide",NA,"CC1CCP(=O)(CC1)C2=CC=CC=C2","CGZRBFVZQAYZCU-UHFFFAOYSA-N",357567,NA,"PDBC24237","617050","Present",NA,NA
+"24238","4-Methyl-1-phenyl-3,4-dihydro-2H-phosphinoline 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1-phenyl-3,4-dihydro-2H-phosphinoline 1-oxide",NA,"CC1CCP(=O)(C2=CC=CC=C12)C3=CC=CC=C3","NYXURIMGUCILOG-UHFFFAOYSA-N",322147,NA,"PDBC24238","616266","Present",NA,NA
+"24239","4-Methyl-10H-benzo[b][1,8]naphthyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-10H-benzo[b][1,8]naphthyridin-5-one",NA,"CC1=C2C(=O)C3=CC=CC=C3NC2=NC=C1","CFNNBWBZKRLFES-UHFFFAOYSA-N",391089,NA,"PDBC24239","689624","Present",NA,NA
+"24240","4-Methyl-10H-indolo[2,3-b][1,8]naphthyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-10H-indolo[2,3-b][1,8]naphthyridine",NA,"CC1=C2C=C3C4=CC=CC=C4NC3=NC2=NC=C1","SQYHSUPQRQEUFM-UHFFFAOYSA-N",387364,NA,"PDBC24240","681116","Present",NA,NA
+"24241","4-Methyl-11-(2-acetoxyethoxy)-5-aza-5H-indeno[2,1-f]azulene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-yl)oxy]ethyl acetate",NA,"CC1=C2C=CC=C2C(=CC3=C1NC4=CC=CC=C43)OCCOC(=O)C","IQJWIENRSWUZEU-UHFFFAOYSA-N",399412,NA,"PDBC24241","710185","Present",NA,NA
+"24242","4-Methyl-1H-quinoline-2,5,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-1H-quinoline-2,5,6-trione",NA,"CC1=CC(=O)NC2=C1C(=O)C(=O)C=C2","LYFQWEKLBFCLLR-UHFFFAOYSA-N",24203341,NA,"PDBC24242","727574","Present",NA,NA
+"24243","4-Methyl-2,3-dihydrothieno[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2,3-dihydrothieno[3',2':5,6]pyrido[1,2-a]benzimidazole-5-carbonitrile",NA,"CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCS4)C#N","IQEJBQHGUPSFQP-UHFFFAOYSA-N",377276,NA,"PDBC24243","658529","Present",NA,NA
+"24244","4-Methyl-2,5-diphenyl-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2,5-diphenyl-3,6-dihydro-2H-1,2-oxazine",NA,"CC1=C(CON(C1)C2=CC=CC=C2)C3=CC=CC=C3","OGKRBYPXSONUQW-UHFFFAOYSA-N",370852,NA,"PDBC24244","644559","Present",NA,NA
+"24245","4-Methyl-2,6-bis(piperidin-1-ylmethyl)phenol;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37881",NA,"CC1=CC(=C(C(=C1)CN2CCCCC2)O)CN3CCCCC3.Br","JWKTXQQZPOECLQ-UHFFFAOYSA-N",54609468,NA,"PDBC24245","37881","Present",NA,NA
+"24246","4-Methyl-2-((1-methyl-1H-imidazol-2-yl)sulfonyl)-1-phenyl-3-penten-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-((1-methyl-1H-imidazol-2-yl)sulfonyl)-1-phenyl-3-penten-1-ol",NA,"CC(=CC(C(C1=CC=CC=C1)O)S(=O)(=O)C2=NC=CN2C)C","CFEOWPZPPTTXTC-UHFFFAOYSA-N",372572,NA,"PDBC24246","647933","Present",NA,NA
+"24247","4-Methyl-2-((4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-((4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoic acid",NA,"CC1=CC(=C(C=C1)C(=O)O)CC2CC3=C(C=CC=C3C2=O)C","ALKFJMWOGKBJII-UHFFFAOYSA-N",385692,NA,"PDBC24247","677038","Present",NA,NA
+"24248","4-Methyl-2-(1,3-thiazol-4-yl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-(1,3-thiazol-4-yl)phenol",NA,"CC1=CC(=C(C=C1)O)C2=CSC=N2","BSAWZSKGMDFKHU-UHFFFAOYSA-N",381600,NA,"PDBC24248","668409","Present",NA,NA
+"24249","4-Methyl-2-(2,2,5,5-tetramethyl-tetrahydro-1,3,4,6,8-pentaoxa-cyclopenta[a]inden-8a-yl)-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-(2,2,5,5-tetramethyl-tetrahydro-1,3,4,6,8-pentaoxa-cyclopenta[a]inden-8a-yl)-quinoline",NA,"CC1=CC(=NC2=CC=CC=C12)C34C(C5C(O3)COC(O5)(C)C)OC(O4)(C)C","ZUAHQDPDUQIUOG-UHFFFAOYSA-N",383339,NA,"PDBC24249","671453","Present",NA,NA
+"24250","4-Methyl-2-(2-(1-(pyridin-2-yl)ethylidene)hydrazinyl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine",NA,"CC1=CC(=NC2=CC=CC=C12)NN=C(C)C3=CC=CC=N3","CVDUGZRMCGEUJY-DEDYPNTBSA-N",9569343,NA,"PDBC24250","332427","Present",NA,NA
+"24251","4-Methyl-2-(4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-(4-hydroxyphenyl)benzothiazole",NA,"CC1=C2C(=CC=C1)SC(=N2)C3=CC=C(C=C3)O","IUVRSKMCOARMJW-UHFFFAOYSA-N",405005,NA,"PDBC24251","721659","Present",NA,NA
+"24252","4-Methyl-2-(4-methylphenoxy)phenylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-(4-methylphenoxy)phenylphosphonic acid",NA,"CC1=CC=C(C=C1)OC2=C(C=CC(=C2)C)P(=O)(O)O","CSAQEFCFLZAGST-UHFFFAOYSA-N",380787,NA,"PDBC24252","666497","Present",NA,NA
+"24253","4-Methyl-2-(4-methylphenyl)pent-4-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-(4-methylphenyl)pent-4-enoic acid",NA,"CC1=CC=C(C=C1)C(CC(=C)C)C(=O)O","APITWAZCYHJSCF-UHFFFAOYSA-N",359392,NA,"PDBC24253","620235","Present",NA,NA
+"24254","4-Methyl-2-(4-phenylmethoxyanilino)quinolin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766725",NA,"CC1=CC(=NC2=C1C=CC(=C2)O)NC3=CC=C(C=C3)OCC4=CC=CC=C4","UFEMDLAFOZMSRW-UHFFFAOYSA-N",135609775,NA,"PDBC24254","766725","Present",NA,NA
+"24255","4-Methyl-2-(methylthio)-5,6-dihydrothieno[2,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-(methylthio)-5,6-dihydrothieno[2,3-d]pyrimidine",NA,"CC1=C2CCSC2=NC(=N1)SC","LJEXYUVDJXSZMP-UHFFFAOYSA-N",377280,NA,"PDBC24255","658533","Present",NA,NA
+"24256","4-Methyl-2-[(E)-(6-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-[(E)-(6-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,"CC1=CC(=C(C=C1)C(=O)O)C=C2CC3=C(C2=O)C=C(C=C3)C","GJVNMEUACXCADJ-XNTDXEJSSA-N",5859773,NA,"PDBC24256","678377","Present",NA,NA
+"24257","4-Methyl-2-[4-methyl-5-[(p-tolylsulfonylamino)carbamoyl]thiazol-2-yl]-N'-(p-tolylsulfonyl)thiazole-5-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-[4-methyl-5-[[(4-methylphenyl)sulfonylamino]carbamoyl]-1,3-thiazol-2-yl]-N'-(4-methylphenyl)sulfonyl-1,3-thiazole-5-carbohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(N=C(S2)C3=NC(=C(S3)C(=O)NNS(=O)(=O)C4=CC=C(C=C4)C)C)C","VWRTWNGUYRVLDU-UHFFFAOYSA-N",370073,NA,"PDBC24257","642632","Present",NA,NA
+"24258","4-Methyl-2-[4-methyl-5-[[(2-pyridin-1-ium-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]-N'-(2-pyridin-1-ium-1-ylacetyl)-1,3-thiazole-5-carbohydrazide;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-[4-methyl-5-[[(2-pyridin-1-ium-1-ylacetyl)amino]carbamoyl]-1,3-thiazol-2-yl]-N'-(2-pyridin-1-ium-1-ylacetyl)-1,3-thiazole-5-carbohydrazide;chloride",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)NNC(=O)C[N+]3=CC=CC=C3)C)C(=O)NNC(=O)C[N+]4=CC=CC=C4.[Cl-]","BZMDGKJEJHPTTG-UHFFFAOYSA-O",370068,NA,"PDBC24258","642628","Present",NA,NA
+"24259","4-Methyl-2-nitro-6-thiazol-4-yl-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-nitro-6-(1,3-thiazol-4-yl)phenol",NA,"CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C2=CSC=N2","XQFUGTVAWCRUHU-UHFFFAOYSA-N",381602,NA,"PDBC24259","668411","Present",NA,NA
+"24260","4-Methyl-2-oxo-2H-chromen-7-yl 2-deoxy-2-(ethanethioylamino)hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4,5-Dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]ethanethioamide",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)NC(=S)C","ZDAVWYMHGAWTAW-UHFFFAOYSA-N",3005379,NA,"PDBC24260","695252","Present",NA,NA
+"24261","4-Methyl-2-oxo-2H-chromen-7-yl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL457251",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OS(=O)(=O)C","CYBDGWFDZXOFSR-UHFFFAOYSA-N",269609,NA,"PDBC24261","110899","Present",NA,NA
+"24262","4-Methyl-2-oxo-2H-chromene-5,7-diyl-dibutyrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methyl-2-oxo-2H-chromene-5,7-diyl-dibutyrate",NA,"CCCC(=O)OC1=CC2=C(C(=CC(=O)O2)C)C(=C1)OC(=O)CCC","NSTQZMJZUASRCW-UHFFFAOYSA-N",390805,NA,"PDBC24262","688803","Present",NA,NA
+"24263","4-Methyl-2-oxo-2h-chromen-7-yl valerate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL477375",NA,"CCCCC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C","KCKLBBMONJISPQ-UHFFFAOYSA-N",232042,NA,"PDBC24263","29067","Present",NA,NA
+"24264","4-Methyl-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-phenyl-1,2,3,4-tetrahydropyrimido[1,2-a]benzimidazole",NA,"CC1CC(NC2=NC3=CC=CC=C3N12)C4=CC=CC=C4","VAGIBOBEIYQCAC-UHFFFAOYSA-N",388457,NA,"PDBC24264","683387","Present",NA,NA
+"24265","4-Methyl-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene",NA,"CC1=CC2=C(C=C1)OC3C4=C2N(N=C4C5=CC=CC=C5S3)C6=CC=CC=C6","VHEGRDCPNUTRQE-UHFFFAOYSA-N",371913,NA,"PDBC24265","646497","Present",NA,NA
+"24266","4-Methyl-2-phenyl-2-oxazoline-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC-6419",NA,"CC1C(=O)OC(=N1)C2=CC=CC=C2","HHPTWKXNGPGQJH-UHFFFAOYSA-N",495826,NA,"PDBC24266","669719","Present",NA,NA
+"24267","4-Methyl-2-phenyl-2H-1,4-benzothiazine-3(4H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-phenyl-2H-1,4-benzothiazine-3(4H)-thione",NA,"CN1C2=CC=CC=C2SC(C1=S)C3=CC=CC=C3","AVPBJWMJWZTMMI-UHFFFAOYSA-N",381139,NA,"PDBC24267","667457","Present",NA,NA
+"24268","4-Methyl-2-phenyl-5H-chromeno[3,4-c]pyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-phenyl-5H-chromeno[3,4-c]pyridin-5-one",NA,"CC1=C2C(=CC(=N1)C3=CC=CC=C3)C4=CC=CC=C4OC2=O","ZNKKKAJLIFRIRH-UHFFFAOYSA-N",365910,NA,"PDBC24268","634031","Present",NA,NA
+"24269","4-Methyl-2H-pyrano[2,3-b]oxanthren-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2H-pyrano[2,3-b]oxanthren-2-one",NA,"CC1=CC(=O)OC2=CC3=C(C=C12)OC4=CC=CC=C4O3","ROITZIPCOVPVAO-UHFFFAOYSA-N",365205,NA,"PDBC24269","632497","Present",NA,NA
+"24270","4-Methyl-3',4'-dichlorochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3',4'-dichlorochalcone",NA,"CC1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C=C2)Cl)Cl","FEQZVLOKLSXWSE-RMKNXTFCSA-N",5387161,NA,"PDBC24270","621370","Present",NA,NA
+"24271","4-Methyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3,4-dihydro-1H-pyrimido[1,2-a]benzimidazol-2-one",NA,"CC1CC(=O)NC2=NC3=CC=CC=C3N12","QPBWYPOUJOITPL-UHFFFAOYSA-N",388454,NA,"PDBC24271","683384","Present",NA,NA
+"24272","4-Methyl-3-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-5-(trifluoromethyl)-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-(trifluoromethyl)-4H-1,2,4-triazole",NA,"CN1C=NC(=C1SC2=NN=C(N2C)C(F)(F)F)[N+](=O)[O-]","QEOAMWHUDZKENG-UHFFFAOYSA-N",364624,NA,"PDBC24272","631158","Present",NA,NA
+"24273","4-Methyl-3-(4-phenylpyrrolo[1,2-a]quinoxalin-1-yl)-1H-pyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3-(4-phenylpyrrolo[1,2-a]quinoxalin-1-yl)-1H-pyrrole-2-carboxylic acid",NA,"CC1=CNC(=C1C2=CC=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5)C(=O)O","HUBZYKDAGZQLFP-UHFFFAOYSA-N",390190,NA,"PDBC24273","687351","Present",NA,NA
+"24274","4-Methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3-[3-methyl-5-nitro-2-(4-nitrophenyl)imidazol-4-yl]sulfanyl-1,2,4-triazole",NA,"CN1C=NN=C1SC2=C(N=C(N2C)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","DIJODVLJKWVHJU-UHFFFAOYSA-N",364623,NA,"PDBC24274","631157","Present",NA,NA
+"24275","4-Methyl-3-[4-[2-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3-[4-[2-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione",NA,"CN1C(=NNC1=S)C2=CC=C(C=C2)NN=NC3=CC=C(C=C3)C4=NNC(=S)N4C","YYOTXUCIIYJFRW-UHFFFAOYSA-N",5472009,NA,"PDBC24275","715974","Present",NA,NA
+"24276","4-Methyl-3-[[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)anilino]methyl]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3-[[4-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)anilino]methyl]-1H-1,2,4-triazole-5-thione",NA,"CN1C(=NNC1=S)CNC2=CC=C(C=C2)C3=NNC(=S)N3C","FHEABCIDSRLATM-UHFFFAOYSA-N",3005399,NA,"PDBC24276","697143","Present",NA,NA
+"24277","4-Methyl-3-isopropylpentanoic acid 2-(hydroxymethyl)-4-(4-methyl-3-isopropylpentylidene)-5-oxotetrahydrofuran-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate",NA,"CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C)C(C)C","YICZBOMOCOUNSS-OCKHKDLRSA-N",5470623,NA,"PDBC24277","703750","Present",NA,NA
+"24278","4-Methyl-3-nitro-5-(4-nitrophenyl)pyrazolo[4,3-c][1,2]selenazol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3-nitro-5-(4-nitrophenyl)-4,5-dihydro-6H-pyrazolo[4,3-c][1,2]selenazol-6-one",NA,"CN1C2=C([Se]N=C2C(=O)N1C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","NIQHXNBDSPOOLF-UHFFFAOYSA-N",360531,NA,"PDBC24278","622666","Present",NA,NA
+"24279","4-Methyl-3-phenyl-1,2,3-oxathiazolidine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3-phenyl-1,2,3-oxathiazolidine 2-oxide",NA,"CC1COS(=O)N1C2=CC=CC=C2","VQRITPKKUNOGNR-UHFFFAOYSA-N",370894,NA,"PDBC24279","644630","Present",NA,NA
+"24280","4-Methyl-3-phenyl-1-oxa-2,4,5-triazaspiro[5.5]undec-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-3-phenyl-1-oxa-2,4,5-triazaspiro[5.5]undec-2-ene",NA,"CN1C(=NOC2(N1)CCCCC2)C3=CC=CC=C3","USYOMARIFRRCHF-UHFFFAOYSA-N",362351,NA,"PDBC24280","626096","Present",NA,NA
+"24281","4-Methyl-4'-nitrochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-4'-nitrochalcone",NA,"CC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","SBRXCTYIGBXNJY-IZZDOVSWSA-N",5387157,NA,"PDBC24281","621365","Present",NA,NA
+"24282","4-Methyl-4-(4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl)heptanedinitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-4-(4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)butanoyl)heptanedinitrile",NA,"CC(CCC#N)(CCC#N)C(=O)CC(C(F)(F)F)(C(F)(F)F)O","MBHZNDOHESOXCU-UHFFFAOYSA-N",379582,NA,"PDBC24282","664271","Present",NA,NA
+"24283","4-Methyl-4-[3-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)propyl]morpholin-4-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-4-[3-(4-methyl-4-azoniatricyclo[5.2.2.02,6]undec-8-en-4-yl)propyl]morpholin-4-ium;iodide",NA,"C[N+]1(CCOCC1)CCC[N+]2(CC3C4CCC(C3C2)C=C4)C.[I-]","QCPGCUGYIILZBS-UHFFFAOYSA-M",5351920,NA,"PDBC24283","90831","Present",NA,NA
+"24284","4-Methyl-4-chromanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-4-chromanecarboxylic acid",NA,"CC1(CCOC2=CC=CC=C21)C(=O)O","KHAVLDCFXFKBLD-UHFFFAOYSA-N",362427,NA,"PDBC24284","626330","Present",NA,NA
+"24285","4-Methyl-4H-benzo[1,4]thiazine-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-4H-benzo[1,4]thiazine-3-thione",NA,"CN1C(=S)CSC2=CC=CC=C21","MYEVHRBQACPKKF-UHFFFAOYSA-N",373156,NA,"PDBC24285","649097","Present",NA,NA
+"24286","4-Methyl-4H-pyrazole; trichlorogallane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-4H-pyrazole; trichlorogallane",NA,NA,NA,NA,NA,"PDBC24286","630053","Present",NA,NA
+"24287","4-Methyl-5-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-5-(3-methyl-but-2-enyl)-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one",NA,"CC1CC(=O)NC2=CC=CC=C2N1CC=C(C)C","BSRFXWAFIXYGFZ-UHFFFAOYSA-N",377482,NA,"PDBC24287","658950","Present",NA,NA
+"24288","4-Methyl-5-(4-methyl-5-phenyl-2,4-pentadienoyl)-1,3-thiazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-5-(4-methyl-5-phenyl-2,4-pentadienoyl)-1,3-thiazole-2-carbothioamide",NA,"CC1=C(SC(=N1)C(=S)N)C(=O)C=CC(=CC2=CC=CC=C2)C","RIQRSGPVNJSTAO-BNFZFUHLSA-N",5937450,NA,"PDBC24288","642620","Present",NA,NA
+"24289","4-Methyl-5-[(E)-3-(p-tolyl)prop-2-enoyl]thiazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-5-[(E)-3-(p-tolyl)prop-2-enoyl]thiazole-2-carbothioamide",NA,"CC1=CC=C(C=C1)C=CC(=O)C2=C(N=C(S2)C(=S)N)C","UFGYUVDPHVWSFR-BQYQJAHWSA-N",6162998,NA,"PDBC24289","640574","Present",NA,NA
+"24290","4-Methyl-5-aza-5H-indeno[2,1-f]azulene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11,13,15-octaene",NA,"CC1=C2C(=CC=C3C1=CC=C3)C4=CC=CC=C4N2","RTTUYQFUJQGIBB-UHFFFAOYSA-N",399411,NA,"PDBC24290","710184","Present",NA,NA
+"24291","4-Methyl-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-5-sulfanylidene-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one",NA,"CN1C(=O)C2=C(NC1=S)SC3=C2CCSC3","GCDSNZBTLPASDA-UHFFFAOYSA-N",5472329,NA,"PDBC24291","717889","Present",NA,NA
+"24292","4-Methyl-6,8-dimethoxy-2,3-dihydrofuro[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dimethoxy-4-methyl-2,3-dihydrofuro[3,2-c]quinoline",NA,"CC1=C2CCOC2=C3C=C(C=C(C3=N1)OC)OC","KGMXAVABQLNCDO-UHFFFAOYSA-N",387230,NA,"PDBC24292","680792","Present",NA,NA
+"24293","4-Methyl-6,9-dichlorocyclopenta[c][1]benzopyran-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,9-Dichloro-4-methylcyclopenta[c]chromen-8-ol",NA,"CC1=C2C=CC=C2C3=C(C(=CC(=C3O1)Cl)O)Cl","GBQIEMCNGDHWFR-UHFFFAOYSA-N",402619,NA,"PDBC24293","716775","Present",NA,NA
+"24294","4-Methyl-6-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-6-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,"CC1=CC(=O)OC2=C1C=C(C=C2)OCC=C3CCC(=O)O3","IJDIHXPFYRELIU-IZZDOVSWSA-N",24205381,NA,"PDBC24294","735333","Present",NA,NA
+"24295","4-Methyl-6-hydroxybenzofuro[2,3-b]pyridine-3-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-Hydroxy-4-methylbenzo[4,5]furo[2,3-b]pyridine -3...",NA,"CCOC(=O)C1=CN=C2C(=C1C)C3=C(O2)C=CC(=C3)O","IZDXENCAHQKCPR-UHFFFAOYSA-N",403996,NA,"PDBC24295","720031","Present",NA,NA
+"24296","4-Methyl-6-phenyl-5-[(E)-p-tolylazo]-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-5-[(4-methylphenyl)diazenyl]-6-phenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=CC=C(C=C1)N=NC2=C(N(C(=S)C(=C2C)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","HTONCQGVDUPSAG-UHFFFAOYSA-N",381299,NA,"PDBC24296","667736","Present",NA,NA
+"24297","4-Methyl-6-phenyl-5-[(E)-phenylazo]-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-6-phenyl-5-phenyldiazenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C3=CC=CC=C3)C4C(C(C(C(O4)CO)O)O)O)C#N","IARNTNPDRQLSNE-UHFFFAOYSA-N",381298,NA,"PDBC24297","667735","Present",NA,NA
+"24298","4-Methyl-7,8-bis[(methylsulfonyl)oxy]-2H-1-benzopyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-METHYL-7,8-BIS[(METHYLSULFONYL)OXY]-2H-1-BENZOPYRAN-2-ONE",NA,"CC1=CC(=O)OC2=C1C=CC(=C2OS(=O)(=O)C)OS(=O)(=O)C","LNUOVDYXSVMVOE-UHFFFAOYSA-N",317657,NA,"PDBC24298","250826","Present",NA,NA
+"24299","4-Methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-7-((2-methyl-4-methylene-5-oxotetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C","PSIRVXBTQZTNBX-UHFFFAOYSA-N",381506,NA,"PDBC24299","668262","Present",NA,NA
+"24300","4-Methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-7-((4-methylene-5-oxo-2-phenyltetrahydro-2-furanyl)methoxy)-2H-chromen-2-one",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OCC3(CC(=C)C(=O)O3)C4=CC=CC=C4","KJPYCEDFWLXVBM-UHFFFAOYSA-N",381510,NA,"PDBC24300","668266","Present",NA,NA
+"24301","4-Methyl-7-(3-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-7-(3-((4-methyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-2H-chromen-2-one",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OCCCOC3=CC4=C(C=C3)C(=CC(=O)O4)C","HWDOSUKXDDAFDC-UHFFFAOYSA-N",373055,NA,"PDBC24301","648887","Present",NA,NA
+"24302","4-Methyl-7-(4-methyl-4,8,9-triazabicyclo[4.3.0]nona-7,10-dien-7-yl)-4,8,9-triazabicyclo[4.3.0]nona-7,10-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-3-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine",NA,"CN1CCC2=C(C1)C(=NN2)C3=NNC4=C3CN(CC4)C","UOZUPRXCVLGPLN-UHFFFAOYSA-N",340766,NA,"PDBC24302","371847","Present",NA,NA
+"24303","4-Methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-7-[(2E)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OCC=C3CCC(=O)O3","XVEHIFLVGSYJHF-IZZDOVSWSA-N",24205383,NA,"PDBC24303","735335","Present",NA,NA
+"24304","4-Methyl-7-phenyl-6-oxa-8-azatetracyclo[8.4.0.02,7.04,8]tetradeca-1(14),10,12-trien-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-10a-phenyl-10,10a-dihydro-5h-3,10-methano[1,3]oxazolo[3,2-b]isoquinolin-2(3h)-one",NA,"CC12CC3C4=CC=CC=C4CN1C3(OC2=O)C5=CC=CC=C5","AJMDMJCNDIYEQV-UHFFFAOYSA-N",394454,NA,"PDBC24304","697928","Present",NA,NA
+"24305","4-Methyl-8,8a-dihydropyrrolo[1,2-d][1,2,4]triazine-1,6(2H,7H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-8,8a-dihydropyrrolo[1,2-d][1,2,4]triazine-1,6(2H,7H)-dione",NA,"CC1=NNC(=O)C2N1C(=O)CC2","AXCVXQYKARABII-UHFFFAOYSA-N",366807,NA,"PDBC24305","635579","Present",NA,NA
+"24306","4-Methyl-8-[5-(2-methoxybenzyl)-2-furanyl]spiro[4.5]deca-3,6-diene-2,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[5-(2-Methoxybenzyl)furan-2-yl]-4-methylspiro[4.5]deca-3,9-diene-2,6-dione",NA,"CC1=CC(=O)CC12C=CC(CC2=O)C3=CC=C(O3)CC4=CC=CC=C4OC","PFELQEDNUCWLOJ-UHFFFAOYSA-N",400557,NA,"PDBC24306","712679","Present",NA,NA
+"24307","4-Methyl-8-acetoxy-5-aza-5H-indeno[2,1-f]azulene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaen-13-yl) acetate",NA,"CC1=C2C(=CC=C3C1=CC=C3)C4=C(N2)C=CC(=C4)OC(=O)C","QPDJTUJFZNDXCW-UHFFFAOYSA-N",401130,NA,"PDBC24307","714067","Present",NA,NA
+"24308","4-Methyl-8-bromo-5-aza-5H-indeno[2,1-f]azulene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Bromo-2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene",NA,"CC1=C2C(=CC=C3C1=CC=C3)C4=C(N2)C=CC(=C4)Br","SSHOSGKMDLCKMC-UHFFFAOYSA-N",402617,NA,"PDBC24308","716773","Present",NA,NA
+"24309","4-Methyl-8-fluoro-2,3-dihydrofuro[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Fluoro-4-methyl-2,3-dihydrofuro[3,2-c]quinoline",NA,"CC1=C2CCOC2=C3C=C(C=CC3=N1)F","YRQHOEAMFIXLSD-UHFFFAOYSA-N",387228,NA,"PDBC24309","680790","Present",NA,NA
+"24310","4-Methyl-8-oxobicyclo[3.2.1]oct-3-ene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-8-oxobicyclo[3.2.1]oct-3-ene-1-carbonitrile",NA,"CC1=CCC2(CCC1C2=O)C#N","YGRBDWPYCAPDLE-UHFFFAOYSA-N",371761,NA,"PDBC24310","646204","Present",NA,NA
+"24311","4-Methyl-N'-((9-phenyl-9H-fluoren-9-yl)methylene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N'-((9-phenyl-9H-fluoren-9-yl)methylene)benzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=CC2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5","IQWDOFYXFDSDPM-TURZUDJPSA-N",9571458,NA,"PDBC24311","666398","Present",NA,NA
+"24312","4-Methyl-N'-(1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N'-(1-(3-methyl-4H-1,4-benzothiazin-2-yl)ethylidene)benzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=C2C(=NC3=CC=CC=C3S2)C)C","YLVBVANUEDPXBB-JXAWBTAJSA-N",5387993,NA,"PDBC24312","630350","Present",NA,NA
+"24313","4-Methyl-N'-(2,2,4,4-tetramethylcyclobutylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N'-(2,2,4,4-tetramethylcyclobutylidene)benzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2C(CC2(C)C)(C)C","LBSDUEQUIWZBCF-UHFFFAOYSA-N",380715,NA,"PDBC24313","666422","Present",NA,NA
+"24314","4-Methyl-N'-(2-methylpropylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620039",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=CC(C)C","XDBZTMINELTCCX-XYOKQWHBSA-N",9569816,NA,"PDBC24314","620039","Present",NA,NA
+"24315","4-Methyl-N'-(2-nitro-1-phenylethyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N'-(2-nitro-1-phenylethyl)benzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(C[N+](=O)[O-])C2=CC=CC=C2","YBFMCODRHBETNK-UHFFFAOYSA-N",277880,NA,"PDBC24315","126933","Present",NA,NA
+"24316","4-Methyl-N'-(7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N'-[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]benzenesulfonohydrazide",NA,"CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","IHRHBTUTNJIKMJ-UHFFFAOYSA-N",381384,NA,"PDBC24316","667924","Present",NA,NA
+"24317","4-Methyl-N'-(methylsulfonyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z45682615",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNS(=O)(=O)C","AOTFGEXNUYQSKI-UHFFFAOYSA-N",367384,NA,"PDBC24317","637073","Present",NA,NA
+"24318","4-Methyl-N'-[(1E)-(3-nitro-4,5-dipyridin-4-yl-2-furyl)methylene]benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N'-[(1E)-(3-nitro-4,5-dipyridin-4-yl-2-furyl)methylene]benzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C(=C(O2)C3=CC=NC=C3)C4=CC=NC=C4)[N+](=O)[O-]","LKEZLVJKQQBHLX-AFUMVMLFSA-N",9555881,NA,"PDBC24318","647121","Present",NA,NA
+"24319","4-Methyl-N'-phenylbenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[PhNC(NH2)(C6H4Me)]",NA,"CC1=CC=C(C=C1)C(=NC2=CC=CC=C2)N","QSIUGNVXHQWBEP-UHFFFAOYSA-N",341821,NA,"PDBC24319","375392","Present",NA,NA
+"24320","4-Methyl-N'-{(1E)-[3-nitro-4,5-bis(3-nitrophenyl)-2-furyl]methylene}benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N'-{(1E)-[3-nitro-4,5-bis(3-nitrophenyl)-2-furyl]methylene}benzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C(=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]","AWAWJBVIRQMQJM-AFUMVMLFSA-N",9555888,NA,"PDBC24320","647256","Present",NA,NA
+"24321","4-Methyl-N-((2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)carbonyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-((2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)carbonyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2S(=O)(=O)OCCOS2(=O)=O","NHNCIJHSSINQEP-UHFFFAOYSA-N",372720,NA,"PDBC24321","648303","Present",NA,NA
+"24322","4-Methyl-N-(2-((2-(((4-methylphenyl)sulfonyl)amino)ethyl)thio)ethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-(2-((2-(((4-methylphenyl)sulfonyl)amino)ethyl)thio)ethyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCSCCNS(=O)(=O)C2=CC=C(C=C2)C","XTANFPBRKRLUDZ-UHFFFAOYSA-N",373734,NA,"PDBC24322","650633","Present",NA,NA
+"24323","4-Methyl-N-(2-((2-((2-(((4-methylphenyl)sulfonyl)amino)ethyl)thio)ethyl)thio)ethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[2-[2-[2-[(4-methylphenyl)sulfonylamino]ethylsulfanyl]ethylsulfanyl]ethyl]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCSCCSCCNS(=O)(=O)C2=CC=C(C=C2)C","ARKGBWNKRGOHOA-UHFFFAOYSA-N",373724,NA,"PDBC24323","650626","Present",NA,NA
+"24324","4-Methyl-N-(2-nitrophenyl)sulfanylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_011978",NA,"CC1=CC=C(C=C1)NSC2=CC=CC=C2[N+](=O)[O-]","DUOCQDQMSWPLKI-UHFFFAOYSA-N",226033,NA,"PDBC24324","16034","Present",NA,NA
+"24325","4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline",NA,"CC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC","WNPKGWVHMDSGQK-UHFFFAOYSA-N",373798,NA,"PDBC24325","650763","Present",NA,NA
+"24326","4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-(3,4,5-trimethoxybenzyl) aniline Hydrochloride",NA,"CC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","YNUQVPKYSQEUIO-UHFFFAOYSA-N",373799,NA,"PDBC24326","650764","Present",NA,NA
+"24327","4-Methyl-N-(3-((1-((4-methylphenyl)imino)-2-phenyl-1H-inden-3-yl)thio)-2-phenyl-1H-inden-1-ylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Inden-1-imine, 3,3'-(thio)bis[N-(4-methylphenyl)-2-ph...",NA,"CC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=C2C4=CC=CC=C4)SC5=C(C(=NC6=CC=C(C=C6)C)C7=CC=CC=C75)C8=CC=CC=C8","VYFOGUNXZDMDLW-UHFFFAOYSA-N",389841,NA,"PDBC24327","686473","Present",NA,NA
+"24328","4-Methyl-N-(oxan-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-tetrahydro-2H-pyran-2-ylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2CCCCO2","UDTPRMPZDIISOH-UHFFFAOYSA-N",366954,NA,"PDBC24328","636116","Present",NA,NA
+"24329","4-Methyl-N-[(2-oxocyclohexyl)methyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[(2-oxocyclohexyl)methyl]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCC2CCCCC2=O","VIZPKNKXHAFNFC-UHFFFAOYSA-N",364915,NA,"PDBC24329","631802","Present",NA,NA
+"24330","4-Methyl-N-[(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[(4-phenyl-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl)methyl]aniline",NA,"CC1=CC=C(C=C1)NCC2=NN=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5","IULVBMURKJVAFA-UHFFFAOYSA-N",400924,NA,"PDBC24330","713608","Present",NA,NA
+"24331","4-Methyl-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[(E)-(1-oxoaceanthrylen-2-ylidene)amino]benzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C2C3=CC=CC4=CC5=CC=CC=C5C(=C43)C2=O","GAALKPIJVPPVTE-YYDJUVGSSA-N",9572076,NA,"PDBC24331","701029","Present",NA,NA
+"24332","4-Methyl-N-[(E)-(10-oxidoacridin-10-ium-9-yl)methyleneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-({(E)-[(4-Methylphenyl)sulfonyl]diazenyl}methylidene)acridin-10(9H)-ol",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=NC=C2C3=CC=CC=C3N(C4=CC=CC=C42)O","QMZPDKUVPPMLGH-UHFFFAOYSA-N",363213,NA,"PDBC24332","627891","Present",NA,NA
+"24333","4-Methyl-N-[(E)-(2-methyl-2,3,5,6,7,8,9,10-octahydrocycloocta[b]pyran-4-ylidene)amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[(E)-(2-methyl-2,3,5,6,7,8,9,10-octahydrocycloocta[b]pyran-4-ylidene)amino]benzenesulfonamide",NA,"CC1CC(=NNS(=O)(=O)C2=CC=C(C=C2)C)C3=C(O1)CCCCCC3","NGAANMDZZOSQAT-CZIZESTLSA-N",6374384,NA,"PDBC24333","672226","Present",NA,NA
+"24334","4-Methyl-N-[(E)-(3-oxo-2-azaspiro[5.5]undecan-11-ylidene)amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[(E)-(3-oxo-2-azaspiro[5.5]undecan-11-ylidene)amino]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCC23CCC(=O)NC3","XYCWNNPFZKUTNG-XDJHFCHBSA-N",6393003,NA,"PDBC24334","619944","Present",NA,NA
+"24335","4-Methyl-N-[(E)-4-tricyclo[4.3.0.03,7]non-8-enylideneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[(E)-4-tricyclo[4.3.0.03,7]non-8-enylideneamino]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC3C4CC2C3C=C4","BCVBVZBSFFFOIU-WUKNDPDISA-N",5912634,NA,"PDBC24335","666427","Present",NA,NA
+"24336","4-Methyl-N-[(E)-4-tricyclo[4.3.0.03,7]nonanylideneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[(E)-4-tricyclo[4.3.0.03,7]nonanylideneamino]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC3C4CCC3C2C4","WOLMIBMBHRRSSH-WUKNDPDISA-N",9571460,NA,"PDBC24336","666425","Present",NA,NA
+"24337","4-Methyl-N-[(Z)-2-tricyclo[4.2.1.03,7]nonanylideneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[(Z)-2-tricyclo[4.2.1.03,7]nonanylideneamino]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3CCC4C3CC2C4","KGDFSOFNEIUXNM-MSUUIHNZSA-N",5905086,NA,"PDBC24337","673906","Present",NA,NA
+"24338","4-Methyl-N-[(Z)-2-tricyclo[5.2.1.04,8]decanylideneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[(Z)-2-tricyclo[5.2.1.04,8]decanylideneamino]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC3CCC4C3CC2C4","MAIXEOJSUPUQDV-ZCXUNETKSA-N",9571501,NA,"PDBC24338","673908","Present",NA,NA
+"24339","4-Methyl-N-[3-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methyl-N-(3-(4-methyl-1H-imidazol-1-yl)phenyl)-3-(4-(p...",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5","DIMLYBUSJYNUFT-UHFFFAOYSA-N",71521082,NA,"PDBC24339","762949","Present",NA,NA
+"24340","4-Methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methyl-N-(3-methyl-5-(4-methyl-1H-imidazol-1-yl)phenyl...",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)C)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5","KVTMDRDZMBVWNC-UHFFFAOYSA-N",58172700,NA,"PDBC24340","762948","Present",NA,NA
+"24341","4-Methyl-N-[4-[(4-methylanilino)diazenyl]butyldiazenyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[4-[(4-methylanilino)diazenyl]butyldiazenyl]aniline",NA,"CC1=CC=C(C=C1)NN=NCCCCN=NNC2=CC=C(C=C2)C","UNWWRHHZUPRHQS-UHFFFAOYSA-N",388204,NA,"PDBC24341","682789","Present",NA,NA
+"24342","4-Methyl[1]benzofuro[3,2-g]quinolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl[1]benzofuro[3,2-g]quinolin-2-ol",NA,"CC1=CC(=O)NC2=CC3=C(C=C12)C4=CC=CC=C4O3","PXTUEOYAGPJNRJ-UHFFFAOYSA-N",341872,NA,"PDBC24342","375985","Present",NA,NA
+"24343","4-Methylacridin-9-amine--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylacridin-9-amine;hydrochloride",NA,"CC1=CC=CC2=C(C3=CC=CC=C3N=C12)N.Cl","ZFKZLCVKIAFMMX-UHFFFAOYSA-N",54609363,NA,"PDBC24343","14658","Present",NA,NA
+"24344","4-Methylanthra[1,2-c]isoxazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylanthra[1,2-c]isoxazole-6,11-dione",NA,"CC1=CC2=C(C3=NOC=C13)C(=O)C4=CC=CC=C4C2=O","CSLKMYOHINILJD-UHFFFAOYSA-N",363004,NA,"PDBC24344","627543","Present",NA,NA
+"24345","4-Methylbenzenesulfonic acid; 7-methyl-5-(3-morpholinopropylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylbenzenesulfonate;7-methyl-5-(3-morpholin-4-ylpropylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCCN5CCOCC5)C#N","VRWQLHFNYHDHIX-UHFFFAOYSA-N",393012,NA,"PDBC24345","694262","Present",NA,NA
+"24346","4-Methylbenzenesulfonic acid; 7-methyl-5-[2-(2-pyridyl)ethylamino]benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylbenzenesulfonate;7-methyl-5-(2-pyridin-2-ylethylamino)benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCC5=CC=CC=N5)C#N","QINZHXZMMXNNFJ-UHFFFAOYSA-N",393007,NA,"PDBC24346","694259","Present",NA,NA
+"24347","4-Methylbenzenesulfonic acid; 7-methyl-5-methylsulfanyl-benzimidazolo[1,2-a][1,8]naphthyridin-7-ium-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylbenzenesulfonate;7-methyl-5-methylsulfanylbenzimidazolo[1,2-a][1,8]naphthyridin-7-ium-6-carbonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=C(N2C4=CC=CC=C41)N=CC=C3)SC)C#N","WOXNHTLEGNLUBZ-UHFFFAOYSA-M",393020,NA,"PDBC24347","694267","Present",NA,NA
+"24348","4-Methylbenzenesulfonic acid; 7-methyl-5-methylsulfanyl-benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylbenzenesulfonate;7-methyl-5-methylsulfanylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)SC)C#N","NVGLEXRYAOIEIE-UHFFFAOYSA-M",392516,NA,"PDBC24348","693033","Present",NA,NA
+"24349","4-Methylbenzenesulfonic acid;1-propyl-3,6-dihydro-2H-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylbenzenesulfonic acid;1-propyl-3,6-dihydro-2H-pyridine",NA,"CCCN1CCC=CC1.CC1=CC=C(C=C1)S(=O)(=O)O","ZHSHFTFZSGVNFE-UHFFFAOYSA-N",357839,NA,"PDBC24349","617372","Present",NA,NA
+"24350","4-Methylbenzimidazo[1,2-a][1,8]naphthyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylbenzimidazo[1,2-a][1,8]naphthyridine",NA,"CC1=C2C=CC3=NC4=CC=CC=C4N3C2=NC=C1","ANBUTTKVVAWVHL-UHFFFAOYSA-N",387363,NA,"PDBC24350","681115","Present",NA,NA
+"24351","4-Methylbenzoic acid (2-benzylidenecyclohexylidene)amino ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629624",NA,"CC1=CC=C(C=C1)C(=O)ON=C2CCCCC2=CC3=CC=CC=C3","BUEMQTMFALJQGZ-ISQRORMUSA-N",5801294,NA,"PDBC24351","629624","Present",NA,NA
+"24352","4-Methylglutamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC41355",NA,"CC(CC(C(=O)O)N)C(=O)O","KRKRAOXTGDJWNI-UHFFFAOYSA-N",5365,NA,"PDBC24352","41355","Present",NA,NA
+"24353","4-Methylnaphtho[2,3-d][1,3]dioxepine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-d]-1,3-dioxepin-6,11-dione, 4-methyl-",NA,"CC1=CC2=C(C(=O)C3=CC=CC=C3C2=O)OCO1","BKFZQMIRRZGNCG-UHFFFAOYSA-N",362653,NA,"PDBC24353","626868","Present",NA,NA
+"24354","4-Methylnicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CM-1931",NA,"CC1=C(C=NC=C1)C(=O)N","SXKLOQCGXUTBNP-UHFFFAOYSA-N",95692,NA,"PDBC24354","30041","Present",NA,NA
+"24355","4-Methyloctadecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMFA01020215",NA,"CCCCCCCCCCCCCCC(C)CCC(=O)O","RFKPYBOOPHCXSY-UHFFFAOYSA-N",361947,NA,"PDBC24355","625432","Present",NA,NA
+"24356","4-Methylphenyl 3-methyl-4-phenyl-2-thienyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylphenyl 3-methyl-4-phenyl-2-thienyl sulfone",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=CS2)C3=CC=CC=C3)C","VMBDZEUERXPHKT-UHFFFAOYSA-N",376282,NA,"PDBC24356","656996","Present",NA,NA
+"24357","4-Methylphenyl 6H-quino[2',3':4,5]cyclopenta[1,2-b]quinoxalin-6-yl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylphenyl 6H-quino[2',3':4,5]cyclopenta[1,2-b]quinoxalin-6-yl sulfone",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2C3=NC4=CC=CC=C4C=C3C5=NC6=CC=CC=C6N=C25","SDMIDEPAICYTQS-UHFFFAOYSA-N",375029,NA,"PDBC24357","653855","Present",NA,NA
+"24358","4-Methylpyridinium-trans-[tetrachlorobis(4-methyl- pyrid...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylpyridinium-trans-[tetrachlorobis(4-methyl- pyrid...",NA,NA,NA,NA,NA,"PDBC24358","631480","Present",NA,NA
+"24359","4-Methylquinazolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9205AB",NA,"CC1=NC(=NC2=CC=CC=C12)N","RWDYNDCLJPWKJU-UHFFFAOYSA-N",269325,NA,"PDBC24359","110275","Present",NA,NA
+"24360","4-Methylsulfanyl-1H-imidazo[4,5-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylsulfanyl-1H-imidazo[4,5-d]pyridazine",NA,"CSC1=C2C(=CN=N1)NC=N2","ROMSPVUYLMFSBM-UHFFFAOYSA-N",5469591,NA,"PDBC24360","690579","Present",NA,NA
+"24361","4-Methylsulfanyl-2,6-dioxo-1-(p-tolyl)-3H-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylsulfanyl-2,6-dioxo-1-(p-tolyl)-3H-pyridine-3,5-dicarbonitrile",NA,"CC1=CC=C(C=C1)N2C(=O)C(C(=C(C2=O)C#N)SC)C#N","WINKURHOUSUKCJ-UHFFFAOYSA-N",390323,NA,"PDBC24361","687615","Present",NA,NA
+"24362","4-Methylsulfanyl-2-phenyl-3H-1,5-benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZTKLRYVOHDXCKV-UHFFFAOYSA-N",NA,"CSC1=NC2=CC=CC=C2N=C(C1)C3=CC=CC=C3","ZTKLRYVOHDXCKV-UHFFFAOYSA-N",371096,NA,"PDBC24362","645043","Present",NA,NA
+"24363","4-Methylsulfanyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Methylsulfanyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine",NA,"CSC1=NC=NC2=C1CCN2","MUGTZPLDFSFWLD-UHFFFAOYSA-N",373189,NA,"PDBC24363","649155","Present",NA,NA
+"24364","4-Methylsulfanyl-6-oxo-1-(p-tolyl)-2-thioxo-3H-pyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylsulfanyl-6-oxo-1-(p-tolyl)-2-thioxo-3H-pyridine-3,5-dicarbonitrile",NA,"CC1=CC=C(C=C1)N2C(=S)C(C(=C(C2=O)C#N)SC)C#N","VUDXOGAVJFCSKS-UHFFFAOYSA-N",390304,NA,"PDBC24364","687596","Present",NA,NA
+"24365","4-Methylsulfanyl-6-phenyl-1,3,5-triazin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_004362",NA,"CSC1=NC(=O)NC(=N1)C2=CC=CC=C2","LNZNGZRZPAVAIL-UHFFFAOYSA-N",15961,NA,"PDBC24365","692223","Present",NA,NA
+"24366","4-Methylsulfonyloxybutyl fluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Methylsulfonyl)oxy]butyl fluoromethanesulfonate",NA,"CS(=O)(=O)OCCCCOS(=O)(=O)CF","QIPRHWYRMXRBSM-UHFFFAOYSA-N",383019,NA,"PDBC24366","671003","Present",NA,NA
+"24367","4-Methylthiazolium-trans-[tetrachlorobis(4-methylthiazol...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylthiazolium-trans-[tetrachlorobis(4-methylthiazol...",NA,NA,NA,NA,NA,"PDBC24367","630138","Present",NA,NA
+"24368","4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC","ANLBBCQAUDTUDK-UHFFFAOYSA-N",373808,NA,"PDBC24368","650771","Present",NA,NA
+"24369","4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylthio-N-(3,4,5-trimethoxybenzyl)aniline Hydrochlo...",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=CC=C(C=C2)SC.Cl","BIZKSGXADYRVJM-UHFFFAOYSA-N",373809,NA,"PDBC24369","650772","Present",NA,NA
+"24370","4-Methylthiochromeno[2,3-b]pyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methylthiochromeno[2,3-b]pyridin-5-one",NA,"CC1=C2C(=O)C3=CC=CC=C3SC2=NC=C1","GXJACKJMPVJWHZ-UHFFFAOYSA-N",391088,NA,"PDBC24370","689623","Present",NA,NA
+"24371","4-Methylumbelliferyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC1059///NSC31658",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C","HXVZGASCDAGAPS-UHFFFAOYSA-N",366,NA,"PDBC24371","1059///31658","Present",NA,NA
+"24372","4-Morpholin-4-yl-6[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-1,5-triazin-2-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-morpholin-4-yl-6[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]...",NA,"C1COCCN1C2=NC(=NC(=N2)N)C=CC3=CC=C(S3)[N+](=O)[O-]","KDKMGIDTAGPTIE-IWQZZHSRSA-N",24205526,NA,"PDBC24372","736081","Present",NA,NA
+"24373","4-Morpholin-4-ylpiperidine-1-carboximidamide;sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664994",NA,"C1CN(CCC1N2CCOCC2)C(=N)N.OS(=O)(=O)O","UFNLAQCIDMPLTK-UHFFFAOYSA-N",379858,NA,"PDBC24373","664994","Present",NA,NA
+"24374","4-Morpholinecarboximidamide, N-(3-nitro-4-quinolinyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Morpholinecarboximidamide, N-(3-nitro-4-quinolinyl)-, ...",NA,"C1COCCN1C(=NC2=C(C=NC3=CC=CC=C32)[N+](=O)[O-])N.Cl","ORBIQTDRGNZJJQ-UHFFFAOYSA-N",365184,NA,"PDBC24374","632475","Present",NA,NA
+"24375","4-Morpholinepentanoic acid, ethyl ester, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Morpholinepentanoic acid, .alpha.-(phenylmethylene)- ....",NA,"CCOC(=O)C(=CC1=CC=CC=C1)C(=O)CCN2CCOCC2.Cl","XLHSAXPAXFBULF-ULQCMBKMSA-N",5386796,NA,"PDBC24375","617823","Present",NA,NA
+"24376","4-Morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Morpholino-2-(oxiran-2-ylmethylsulfanyl)-6-phenyl-pyrimidine-5-carbonitrile",NA,"C1COCCN1C2=NC(=NC(=C2C#N)C3=CC=CC=C3)SCC4CO4","RJNDVEKZNZXAAU-UHFFFAOYSA-N",45029198,NA,"PDBC24376","745591","Present",NA,NA
+"24377","4-Morpholino-6-oxo-1-phenyl-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Morpholino-6-oxo-1-phenyl-pyrimidine-5-carbonitrile",NA,"C1COCCN1C2=C(C(=O)N(C=N2)C3=CC=CC=C3)C#N","OGANWVGTEGDXSK-UHFFFAOYSA-N",395690,NA,"PDBC24377","700474","Present",NA,NA
+"24378","4-Morpholino-6-phenyl-2-thioxo-1H-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Morpholino-6-phenyl-2-thioxo-1H-pyrimidine-5-carbonitrile",NA,"C1COCCN1C2=NC(=S)NC(=C2C#N)C3=CC=CC=C3","CCADPJPLVPHEJS-UHFFFAOYSA-N",45028809,NA,"PDBC24378","744449","Present",NA,NA
+"24379","4-Morpholinobenzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_004519",NA,"C1COCCN1C2=CC=C(C=C2)C#N","ZSCUWVQXQDCSRV-UHFFFAOYSA-N",394808,NA,"PDBC24379","698610","Present",NA,NA
+"24380","4-N,5-N-Dibenzyl-1H-imidazole-4,5-dicarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N,5-N-Dibenzyl-1H-imidazole-4,5-dicarbothioamide",NA,"C1=CC=C(C=C1)CNC(=S)C2=C(N=CN2)C(=S)NCC3=CC=CC=C3","PQWLYYNMBVOUHD-UHFFFAOYSA-N",5470687,NA,"PDBC24380","704224","Present",NA,NA
+"24381","4-N,6-N-Bis(3-chlorophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4,N6-bis(3-chlorophenyl)-1-methyl-1H-pyrazolo[3,4-d]pyr...",NA,"CN1C2=NC(=NC(=C2C=N1)NC3=CC(=CC=C3)Cl)NC4=CC(=CC=C4)Cl","HRCYEQFRHAXCRH-UHFFFAOYSA-N",223753,NA,"PDBC24381","11668","Present",NA,NA
+"24382","4-N,6-N-Bis(4-bromophenyl)-1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4-d]pyrimidine, 4,6-bis(p-bromoanilino)-1-...",NA,"CN1C2=NC(=NC(=C2C=N1)NC3=CC=C(C=C3)Br)NC4=CC=C(C=C4)Br","PWZSMHFUFVPPLU-UHFFFAOYSA-N",223752,NA,"PDBC24382","11667","Present",NA,NA
+"24383","4-N,6-N-Bis[(4-methoxyphenyl)methyl]-2-N-phenyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis-(4-methoxy-benzyl)-N''-phenyl-[1,3,5]triazine-2...",NA,"COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3=CC=CC=C3)NCC4=CC=C(C=C4)OC","YTNIZJUNDZMPCP-UHFFFAOYSA-N",405311,NA,"PDBC24383","722504","Present",NA,NA
+"24384","4-N,6-N-Bis[(4-methoxyphenyl)methyl]-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Isopropyl-N',N''-bis-(4-methoxy-benzyl)-[1,3,5]triazin...",NA,"CC(C)NC1=NC(=NC(=N1)NCC2=CC=C(C=C2)OC)NCC3=CC=C(C=C3)OC","HSWUTURWPNHWCX-UHFFFAOYSA-N",405310,NA,"PDBC24384","722503","Present",NA,NA
+"24385","4-N,7-N-Bis(3-bromophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N,7-N-Bis(3-bromophenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-4,7-diamine",NA,"C1CC2=C(CC1NC3=CC(=CC=C3)Br)SC4=NC=NC(=C24)NC5=CC(=CC=C5)Br","LCZNKZIQQUVUPA-UHFFFAOYSA-N",396716,NA,"PDBC24385","703325","Present",NA,NA
+"24386","4-N,N-Bis(2-chloroethyl)amino-2-tolualdehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Tolualdehyde, 4-(bis(2-chloroethyl)amino)-",NA,"CC1=C(C=CC(=C1)N(CCCl)CCCl)C=O","ZQIAXDULHBLZJE-UHFFFAOYSA-N",141295,NA,"PDBC24386","49520","Present",NA,NA
+"24387","4-N,N-Bis-2'-cyanoethylaminobenzylidene rhodanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N,N-bis-2'-cyanoethylaminobenzylidene rhodanine",NA,"C1=CC(=CC=C1C=C2C(=O)NC(=S)S2)N(CCC#N)CCC#N","YFYBUQFLYHSAPN-KAMYIIQDSA-N",5469593,NA,"PDBC24387","690614","Present",NA,NA
+"24388","4-N,N-Bis-2'-cyanoethylaminobenzylidene-4-fluoro aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N,N-bis-2'-cyanoethylaminobenzylidene-4-fluoro aniline",NA,"C1=CC(=CC=C1C=NC2=CC=C(C=C2)F)N(CCC#N)CCC#N","QAHQLQIMBCMWSR-UHFFFAOYSA-N",359414,NA,"PDBC24388","620277","Present",NA,NA
+"24389","4-N,N-bis-2'-carboxyethylaminobenzylidene rhodanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N,N-bis-2'-carboxyethylaminobenzylidene rhodanine",NA,"C1=CC(=CC=C1C=C2C(=O)NC(=S)S2)N(CCC(=O)O)CCC(=O)O","NABNHBIDWSHAER-XFXZXTDPSA-N",5469598,NA,"PDBC24389","690619","Present",NA,NA
+"24390","4-N-(1-Adamantyl)-6-chloropyrimidine-2,4,5-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-(1-Adamantyl)-6-chloropyrimidine-2,4,5-triamine",NA,"C1C2CC3CC1CC(C2)(C3)NC4=C(C(=NC(=N4)N)Cl)N","DRBBEWLHAWBSKP-UHFFFAOYSA-N",394863,NA,"PDBC24390","698952","Present",NA,NA
+"24391","4-N-(3-Chlorophenyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-(3-Chlorophenyl)-5-[(E)-2-(2-methoxyphenyl)ethenyl]pyrimidine-4,6-diamine",NA,"COC1=CC=CC=C1C=CC2=C(N=CN=C2NC3=CC(=CC=C3)Cl)N","FLTVXYFGUTYAFM-MDZDMXLPSA-N",5472820,NA,"PDBC24391","721685","Present",NA,NA
+"24392","4-N-(4-Bromophenyl)-2-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(4-bromophenyl)-N2-(3-((7-chloroquinolin-4-yl)amino)p...",NA,"C1=CC(=CC=C1NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl)Br","FYXYXJQVBAYNDT-UHFFFAOYSA-N",117826050,NA,"PDBC24392","775298","Present",NA,NA
+"24393","4-N-(4-Bromophenyl)-5-[(4-bromophenyl)iminomethyl]pyrimidine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-(4-Bromophenyl)-5-[(4-bromophenyl)iminomethyl]pyrimidine-2,4,6-triamine",NA,"C1=CC(=CC=C1NC2=NC(=NC(=C2C=NC3=CC=C(C=C3)Br)N)N)Br","HDDBHWGGFGATQQ-UHFFFAOYSA-N",266203,NA,"PDBC24393","103520","Present",NA,NA
+"24394","4-N-(4-Chlorophenyl)-2-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(4-chlorophenyl)-N2-(2-((7-chloroquinolin-4-yl)amino)...",NA,"C1=CC(=CC=C1NC2=NC(=NC=C2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl)Cl","GQSSPBGEZWPQLM-UHFFFAOYSA-N",117827342,NA,"PDBC24394","775296","Present",NA,NA
+"24395","4-N-(4-Methoxyphenyl)-4-N-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(4-methoxyphenyl)-N4-methyl-5,6,7,8-tetrahydrobenzo[4...",NA,"CN(C1=CC=C(C=C1)OC)C2=C3C4=C(CCCC4)SC3=NC(=N2)N","OCQIQTVMFXIILG-UHFFFAOYSA-N",54767926,NA,"PDBC24395","800146","Present",NA,NA
+"24396","4-N-(6-Chloro-2,3-dimethoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-(6-Chloro-2,3-dimethoxyacridin-9-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydrochloride",NA,"CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)Cl.Cl","CSEWKOBGWBDZIS-UHFFFAOYSA-N",24181960,NA,"PDBC24396","13001","Present",NA,NA
+"24397","4-N-(7-Chloroquinolin-4-yl)-1-N-cyclohexylcyclohexane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-(7-Chloroquinolin-4-yl)-1-N-cyclohexylcyclohexane-1,4-diamine",NA,"C1CCC(CC1)NC2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl","FTQCIXDQYNLVGY-UHFFFAOYSA-N",220625,NA,"PDBC24397","3618","Present",NA,NA
+"24398","4-N-Benzyl-2-N-phenylquinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766743",NA,"C1=CC=C(C=C1)CNC2=NC(=NC3=CC=CC=C32)NC4=CC=CC=C4","TZQBMINEPXWUBX-UHFFFAOYSA-N",805487,NA,"PDBC24398","766743","Present",NA,NA
+"24399","4-N-Butan-2-ylbenzene-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Benzenediamine, N-(1-methylpropyl)- (9CI)",NA,"CCC(C)NC1=CC=C(C=C1)N","CMBRHCVQODXRRS-UHFFFAOYSA-N",304050,NA,"PDBC24399","194887","Present",NA,NA
+"24400","4-N-Methyl-N-2'-cyanoethylaminobenzylidene rhodanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-Methyl-N-2'-cyanoethylaminobenzylidene rhodanine",NA,"CN(CCC#N)C1=CC=C(C=C1)C=C2C(=O)NC(=S)S2","GXPVEIYAGUQFEM-XFXZXTDPSA-N",5469597,NA,"PDBC24400","690618","Present",NA,NA
+"24401","4-N-Phenyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"piperidine, 4-(p-anilinoanilino)-2,2,6,6-tetramethyl- (8ci)",NA,"CC1(CC(CC(N1)(C)C)NC2=CC=C(C=C2)NC3=CC=CC=C3)C","NQIGBASDJIFWRK-UHFFFAOYSA-N",365208,NA,"PDBC24401","632536","Present",NA,NA
+"24402","4-N-[(E)-(8-Aminoquinolin-5-yl)methylideneamino]quinoline-4,8-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Quinolinecarboxaldehyde, 8-amino-, 2-(8-amino-4-quinol...",NA,"C1=CC2=C(C=CN=C2C(=C1)N)NN=CC3=C4C=CC=NC4=C(C=C3)N","ZODAOKXAWHCPHW-BHGWPJFGSA-N",155814958,NA,"PDBC24402","790110","Present",NA,NA
+"24403","4-N-[10-[(2-Amino-6-chloropyrimidin-4-yl)amino]decyl]-6-chloropyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-[10-[(2-Amino-6-chloro-pyrimidin-4-yl)amino]decyl]-6-chloro-pyrimidine-2,4-diamine",NA,"C1=C(N=C(N=C1Cl)N)NCCCCCCCCCCNC2=CC(=NC(=N2)N)Cl","REFFSBPVNNVPTC-UHFFFAOYSA-N",363999,NA,"PDBC24403","629621","Present",NA,NA
+"24404","4-N-[12-[(5-Amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-4,5-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[12-[(5-Amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-4,5-diamine",NA,"C1=NC(=C(C(=N1)Cl)N)NCCCCCCCCCCCCNC2=C(C(=NC=N2)Cl)N","LXWCDSNTODNEPX-UHFFFAOYSA-N",358989,NA,"PDBC24404","619196","Present",NA,NA
+"24405","4-N-[3-(Dimethylamino)propyl]-8-N-methyl-5-nitroquinoline-4,8-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[3-(Dimethylamino)propyl]-8-N-methyl-5-nitroquinoline-4,8-diamine;hydrochloride",NA,"CNC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCCN(C)C.Cl","QPOWEKHGFUCZFK-UHFFFAOYSA-N",5388836,NA,"PDBC24405","639208","Present",NA,NA
+"24406","4-N-[3-[(5-Amino-6-chloropyrimidin-4-yl)amino]propyl]-6-chloropyrimidine-4,5-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(3-((5-Amino-6-chloro-4-pyrimidinyl)amino)propyl)-6-chloro-4,5-pyrimidinediamine",NA,"C1=NC(=C(C(=N1)Cl)N)NCCCNC2=C(C(=NC=N2)Cl)N","YMZUTKAVZIOQJH-UHFFFAOYSA-N",374880,NA,"PDBC24406","653416","Present",NA,NA
+"24407","4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide;hydrochloride",NA,"CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CN(C)C)CN(C)C.Cl","NFJCNXAQQZKLQH-UHFFFAOYSA-N",384799,NA,"PDBC24407","675252","Present",NA,NA
+"24408","4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[2-chloroethyl(hydrazinyl)amino]phenyl]benzene-1,4-dicarboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-[3-[2-chloroethyl(hydrazinyl)amino]phenyl]benzene-1,4-dicarboxamide;hydrochloride",NA,"CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)N(CCCl)NN)CN(C)C.Cl","NBEOUUFURODOCM-UHFFFAOYSA-N",384797,NA,"PDBC24408","675251","Present",NA,NA
+"24409","4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[3-[2-Chloroethyl(ethyl)amino]-5-[(dimethylamino)methyl]phenyl]-1-N-phenylbenzene-1,4-dicarboxamide;hydrochloride",NA,"CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3)CN(C)C.Cl","CIISNMOLCZQSBC-UHFFFAOYSA-N",384801,NA,"PDBC24409","675253","Present",NA,NA
+"24410","4-N-[4-(1H-Benzimidazol-2-yl)phenyl]-2-N-(4-fluorophenyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1H-Benzoimidazol-2-yl)-phenyl]-N'-(4-fluoro-phenyl...",NA,"C1CCN(C1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","QCIPIFQKIPVYNO-UHFFFAOYSA-N",155805722,NA,"PDBC24410","787247","Present",NA,NA
+"24411","4-N-[4-(1H-Benzimidazol-2-yl)phenyl]-6-N-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-[4-(1H-Benzoimidazol-2-yl)-phenyl]-N6-(4-fluoro-pheny...",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC4=NC(=NC5=C4C=NN5)NC6=CC=C(C=C6)F","WFJYNFOUYAPVNM-UHFFFAOYSA-N",155808893,NA,"PDBC24411","788374","Present",NA,NA
+"24412","4-N-[4-(1H-Benzimidazol-2-yl)phenyl]-6-N-benzyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-[4-(1H-Benzoimidazol-2-yl)-phenyl]-N6-benzyl-1H-pyraz...",NA,"C1=CC=C(C=C1)CNC2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","ONYOROGKLOXZOU-UHFFFAOYSA-N",155805890,NA,"PDBC24412","788375","Present",NA,NA
+"24413","4-N-[4-[2-Amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[4-[2-Amino-6-(4-methoxyphenyl)pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine",NA,"COC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=C(C=C6)Cl)N","CFJDKTPJALLQTR-UHFFFAOYSA-N",54612921,NA,"PDBC24413","749382","Present",NA,NA
+"24414","4-N-[4-[2-Amino-6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[4-[2-Amino-6-[4-(dimethylamino)phenyl]pyrimidin-4-yl]phenyl]-2-N-(4-chlorophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)C1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)NC6=CC=C(C=C6)Cl)N","SNPUMJHXXKYXJF-UHFFFAOYSA-N",54612923,NA,"PDBC24414","749384","Present",NA,NA
+"24415","4-N-[5-[[4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-2,3-dihydroxy-1-N-methylbenzene-1,4-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[5-[[4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-2,3-dihydroxy-1-N-methylbenzene-1,4-dicarboxamide",NA,"CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)C1=C(C(=C(C=C1)C(=O)NC)O)O)O)O)O","VSGMSRUQPCIDQZ-UHFFFAOYSA-N",391976,NA,"PDBC24415","691698","Present",NA,NA
+"24416","4-Naphthalen-2-ylmethylene-2-phenyl-4H-oxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Naphthalen-2-ylmethylene-2-phenyl-4H-oxazol-5-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC4=CC=CC=C4C=C3)C(=O)O2","VJEQAFKSQWRSLC-AQTBWJFISA-N",5387547,NA,"PDBC24416","624453","Present",NA,NA
+"24417","4-Nitro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-(2'-methyl-4'-N,N-bis-2'-cyanoethylamino)azobenzene",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)N=NC2=CC=C(C=C2)[N+](=O)[O-]","BIZPYDZJGRXSQV-UHFFFAOYSA-N",365291,NA,"PDBC24417","632842","Present",NA,NA
+"24418","4-Nitro-1-pentofuranosyl-1h-imidazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-1-pentofuranosyl-1h-imidazol-5-amine",NA,"C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)[N+](=O)[O-]","RXWCGMQQMZNSON-UHFFFAOYSA-N",275460,NA,"PDBC24418","122329","Present",NA,NA
+"24419","4-Nitro-10,10-dioxo-thioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-9H-thioxanthen-9-one 10,10-dioxide",NA,"C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C(=CC=C3)[N+](=O)[O-]","ZIFDGQDOEXFOAO-UHFFFAOYSA-N",378894,NA,"PDBC24419","662302","Present",NA,NA
+"24420","4-Nitro-16-phenyl-15-sulfanylidene-12-thia-14,16-diazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),3,5,13(18)-pentaen-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-16-phenyl-15-sulfanylidene-12-thia-14,16-diazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2(7),3,5,13(18)-pentaen-17-one",NA,"C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)SC4=C3C(=O)N(C(=S)N4)C5=CC=CC=C5","AUBWNPWIPTWATM-UHFFFAOYSA-N",5472330,NA,"PDBC24420","717899","Present",NA,NA
+"24421","4-Nitro-2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-2-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline",NA,"C1=CC=C(C=C1)C=CC=NC2=C(C=CC(=C2)[N+](=O)[O-])N","FHGCGGSPHMBGPN-ZFENKPHASA-N",6050084,NA,"PDBC24421","155594","Present",NA,NA
+"24422","4-Nitro-3a,9b-dihydrobenzo[g][1]benzofuran-6,9-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-3a,9b-dihydrobenzo[g][1]benzofuran-6,9-diol",NA,"C1=COC2C1C(=CC3=C(C=CC(=C23)O)O)[N+](=O)[O-]","LKSOGXZBRDWWSX-UHFFFAOYSA-N",3424350,NA,"PDBC24422","704283","Present",NA,NA
+"24423","4-Nitro-4-propyl-heptanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-4-propylheptanediamide",NA,"CCCC(CCC(=O)N)(CCC(=O)N)[N+](=O)[O-]","WVWBCPSRFABXQN-UHFFFAOYSA-N",387079,NA,"PDBC24423","680470","Present",NA,NA
+"24424","4-Nitro-4-propyl-heptanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-4-propylheptanedioic acid",NA,"CCCC(CCC(=O)O)(CCC(=O)O)[N+](=O)[O-]","UVQNPQKYHXQSAY-UHFFFAOYSA-N",387108,NA,"PDBC24424","680504","Present",NA,NA
+"24425","4-Nitro-6-(trifluoromethyl)-2,1,3-benzoselenadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,1,3-Benzoselanadiazole, nitro-6-(trifluoromethyl)-",NA,"C1=C(C=C(C2=N[Se]N=C21)[N+](=O)[O-])C(F)(F)F","KXIIVIWWQMLJMU-UHFFFAOYSA-N",362897,NA,"PDBC24425","627371","Present",NA,NA
+"24426","4-Nitro-N-(phenoxathiin-2-ylcarbamothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-N-(phenoxathiin-2-ylcarbamothioyl)benzamide",NA,"C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","VLHSVOFLJOYVOR-UHFFFAOYSA-N",5472353,NA,"PDBC24426","718029","Present",NA,NA
+"24427","4-Nitro-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-N-[(7S)-1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide",NA,"CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","DZCRDACLOICYRT-KRWDZBQOSA-N",391582,NA,"PDBC24427","691037","Present",NA,NA
+"24428","4-Nitro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-N-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)amino]benzenesulfonamide",NA,"CC1=CC(=NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])CC(C1)(C)C","WQVJFQXHHQHFRS-FOWTUZBSSA-N",5934190,NA,"PDBC24428","12053","Present",NA,NA
+"24429","4-Nitro-N-[4-(pyridin-4-ylamino)phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-N-[4-(pyridin-4-ylamino)phenyl]benzamide",NA,"C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=NC=C3)[N+](=O)[O-]","LXRNPLQXTWJKIP-UHFFFAOYSA-N",4261343,NA,"PDBC24429","146769","Present",NA,NA
+"24430","4-Nitro-beta-(2-aminophenylthio)-alpha,beta-dihydrochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_006978",NA,"C1=CC=C(C=C1)C(=O)CC(C2=CC=C(C=C2)[N+](=O)[O-])SC3=CC=CC=C3N","OCVFYWNXMPQBJZ-UHFFFAOYSA-N",300908,NA,"PDBC24430","176391","Present",NA,NA
+"24431","4-Nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Nitrobenzamide",NA,"C1=CC(=CC=C1C(=O)N)[N+](=O)[O-]","ZESWUEBPRPGMTP-UHFFFAOYSA-N",12091,NA,"PDBC24431","2902","Present",NA,NA
+"24432","4-Nitrobenzohydroxamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Nitrobenzhydroxamic acid",NA,"C1=CC(=CC=C1C(=O)NO)[N+](=O)[O-]","NORABPMBUQMZLT-UHFFFAOYSA-N",5043691,NA,"PDBC24432","13998","Present",NA,NA
+"24433","4-Nitrochalcone oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC409749",NA,"C1=CC=C(C=C1)C(=O)C2C(O2)C3=CC=C(C=C3)[N+](=O)[O-]","QGQILXBVXCHHOM-UHFFFAOYSA-N",99887,NA,"PDBC24433","409749","Present",NA,NA
+"24434","4-Nitroestrone 3-methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-nitroestrone 3-methyl ether",NA,"CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4[N+](=O)[O-])OC","QDFCXLJPTBSDPF-BFDPJXHCSA-N",100580,NA,"PDBC24434","321803","Present",NA,NA
+"24435","4-Nitronaphtho[1,2-b]furan-6,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitrobenzo[g]benzofuran-6,9-dione",NA,"C1=CC(=O)C2=C3C(=C(C=C2C1=O)[N+](=O)[O-])C=CO3","PGOOVXRVHCAUKQ-UHFFFAOYSA-N",397022,NA,"PDBC24435","704285","Present",NA,NA
+"24436","4-Nitronaphtho[2,3-f][1,3]benzodioxole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitronaphtho[2,3-f][1,3]benzodioxole-5,10-dione",NA,"C1OC2=C(O1)C(=C3C(=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]","PPORIJGQJTZRNJ-UHFFFAOYSA-N",354141,NA,"PDBC24436","604869","Present",NA,NA
+"24437","4-Nitrophenyl 4-(3-phenoxybenzyl)piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JZL-195",NA,"C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]","QNYRAEKLMNDRFY-UHFFFAOYSA-N",46232606,NA,"PDBC24437","763527","Present",NA,NA
+"24438","4-Nitrophenylbis[4-(dimethylamino)phenyl]methane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC3323",NA,"CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)[N+](=O)[O-]","LCHYXWHFOJGIHN-UHFFFAOYSA-N",220490,NA,"PDBC24438","3323","Present",NA,NA
+"24439","4-Nitrophenylhydrazone of N-benzyl-di(methoxyphosphoryl)-formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitrophenylhydrazone of N-benzyl-di(methoxyphosphoryl)...",NA,"COP(=O)(C(=NCC1=CC=CC=C1)NNC2=CC=C(C=C2)[N+](=O)[O-])OC","KAEJTMMJESUTAV-UHFFFAOYSA-N",3543258,NA,"PDBC24439","653564","Present",NA,NA
+"24440","4-Nitroquinoline N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nitrochin",NA,"C1=CC=C2C(=C1)C(=CC=[N+]2[O-])[N+](=O)[O-]","YHQDZJICGQWFHK-UHFFFAOYSA-N",5955,NA,"PDBC24440","19645","Present",NA,NA
+"24441","4-Nonyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nonyl-4,6,7,8-tetrahydro-2H-chromene-2,5(3H)-dione",NA,"CCCCCCCCCC1CC(=O)OC2=C1C(=O)CCC2","WFZLNDMFPUIHIQ-UHFFFAOYSA-N",365018,NA,"PDBC24441","631953","Present",NA,NA
+"24442","4-O,5-O-Isopropylidene-D-altrose 1,3-propanediyl dithioacetal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693232",NA,"CC1(OC(C(O1)C(C(C2SCCCS2)O)O)CO)C","CSZFPFAJPJDJJD-XFWSIPNHSA-N",392653,NA,"PDBC24442","693232","Present",NA,NA
+"24443","4-O-(4-Methyl-2-oxochromen-7-yl) 1-O-prop-2-ynyl (E)-but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-O-(4-Methyl-2-oxochromen-7-yl) 1-O-prop-2-ynyl (E)-but-2-enedioate",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C=CC(=O)OCC#C","LBPNBSFBRVTADK-VOTSOKGWSA-N",45027909,NA,"PDBC24443","740068","Present",NA,NA
+"24444","4-O-Benzyl 1-O-[[3,4,5-trihydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-2-yl]methyl] butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-O-Benzyl 1-O-[[3,4,5-trihydroxy-5-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl]oxolan-2-yl]methyl] butanedioate",NA,"C1=CC=C(C=C1)COC(=O)CCC(=O)OCC2C(C(C(O2)(CC3C(C(C(C(O3)CO)O)O)O)O)O)O","FUWNCERKXSMFNU-UHFFFAOYSA-N",385629,NA,"PDBC24444","676975","Present",NA,NA
+"24445","4-O-Demethylpenclomedine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-demethyl-penclomedine",NA,"COC1=C(C(=O)C(=C(N1)C(Cl)(Cl)Cl)Cl)Cl","GUYGGZGIKZIRFO-UHFFFAOYSA-N",388136,NA,"PDBC24445","682691","Present",NA,NA
+"24446","4-O-Ethyl 14-O-methyl 2,3-dimethyl-15-oxo-17-oxa-2,16-diazapentacyclo[12.2.1.01,12.05,16.06,11]heptadeca-3,6,8,10-tetraene-4,14-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-O-Ethyl 14-O-methyl 2,3-dimethyl-15-oxo-17-oxa-2,16-diazapentacyclo[12.2.1.01,12.05,16.06,11]heptadeca-3,6,8,10-tetraene-4,14-dicarboxylate",NA,"CCOC(=O)C1=C(N(C23C4CC(O2)(C(=O)N3C1C5=CC=CC=C45)C(=O)OC)C)C","XMDWSQCSSVTOKM-UHFFFAOYSA-N",396653,NA,"PDBC24446","703167","Present",NA,NA
+"24447","4-O-Ethyl 6-O-methyl 5-(3-chlorophenyl)-2-formyl-7-methyl-1,3-benzothiazole-4,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Ethyl 6-methyl 5-(3-chlorophenyl)-2-formyl-7-methyl-1,3-benzothiazole-4,6-dicarboxylate",NA,"CCOC(=O)C1=C(C(=C(C2=C1N=C(S2)C=O)C)C(=O)OC)C3=CC(=CC=C3)Cl","TVPJSUWIAMGVRU-UHFFFAOYSA-N",402918,NA,"PDBC24447","717240","Present",NA,NA
+"24448","4-O-Methyl 1,3,4-tetraphenyl-7-oxo-bicyclo[2.2.1]hept-2-en-5,6-dicarb oxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-O-Methyl 1,2,3,4-tetraphenyl-7-oxo-bicyclo[2.2.1]hept-...",NA,"COC(=O)C1C(C2(C(=C(C1(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)O","SLKNHUCBKVRDNK-UHFFFAOYSA-N",24205203,NA,"PDBC24448","734598","Present",NA,NA
+"24449","4-O-Tert-butyl 1-O-propan-2-yl 2-[8-(hydroxymethyl)-12-methoxy-9-oxo-11H-indolizino[1,2-b]quinolin-7-yl]butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,1-Dimethylethyl)-1-(1-methylethyl)-{9,10-dihydro-12...",NA,"CC(C)OC(=O)C(CC(=O)OC(C)(C)C)C1=C(C(=O)N2CC3=C(C4=CC=CC=C4N=C3C2=C1)OC)CO","BOAYNPLFPQJIIB-UHFFFAOYSA-N",384499,NA,"PDBC24449","674347","Present",NA,NA
+"24450","4-O-[[(1R,4As,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl] 1-O-methyl butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-O-[[(1R,4As,5R,8aS)-1,4a-dimethyl-6-methylidene-5-[2-(5-oxo-2H-furan-3-yl)ethyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methyl] 1-O-methyl butanedioate",NA,"CC1(CCCC2(C1CCC(=C)C2CCC3=CC(=O)OC3)C)COC(=O)CCC(=O)OC","MMRRZJHBHGKINI-QIHUWEDASA-N",399553,NA,"PDBC24450","710425","Present",NA,NA
+"24451","4-Oxa-1,3-diazapentacyclo[8.6.1.12,5.06,17.011,16]octadeca-2,5(18),10(17),11,13,15-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxa-1,3-diazapentacyclo[8.6.1.12,5.06,17.011,16]octadeca-2,5(18),10(17),11,13,15-hexaene",NA,"C1CC2C3=CC(=NO3)N4C2=C(C1)C5=CC=CC=C54","VGLFNYFIVQFYAY-UHFFFAOYSA-N",396631,NA,"PDBC24451","703130","Present",NA,NA
+"24452","4-Oxido-3-phenyl-1,4-benzoxazin-4-ium-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-oxido-3-phenyl-1,4-benzoxazin-4-ium-2-one",NA,"C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3OC2=O)[O-]","AURJVESGPOWRRS-UHFFFAOYSA-N",364684,NA,"PDBC24452","631318","Present",NA,NA
+"24453","4-Oxido-3-phenyl-2H-1,4-benzoxazin-4-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-oxido-3-phenyl-2H-1,4-benzoxazin-4-ium",NA,"C1C(=[N+](C2=CC=CC=C2O1)[O-])C3=CC=CC=C3","QGPSJQQNOWKCRD-UHFFFAOYSA-N",367135,NA,"PDBC24453","636522","Present",NA,NA
+"24454","4-Oxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BVRXDFFPQAIFFP-UHFFFAOYSA-",NA,"C1=C(C2=C(N1)C(=O)NC=N2)C=O","BVRXDFFPQAIFFP-UHFFFAOYSA-N",135408953,NA,"PDBC24454","649159","Present",NA,NA
+"24455","4-Oxo-1,5-dihydropyrrolo[3,2-d]pyrimidine-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid",NA,"C1=C(C2=C(N1)C(=O)NC=N2)C(=O)O","HCRPEPKPPKRFIH-UHFFFAOYSA-N",135408952,NA,"PDBC24455","649158","Present",NA,NA
+"24456","4-Oxo-1-pentofuranosyl-2,4-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboximidamide--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4-d]pyrimidine-3-carboximidamide, 4,5-dihy...",NA,"C1=NC2=C(C(=NN2C3C(C(C(O3)CO)O)O)C(=N)N)C(=O)N1.Cl","PVJKNKLXEAXWCF-UHFFFAOYSA-N",135502367,NA,"PDBC24456","367413","Present",NA,NA
+"24457","4-Oxo-1H-1,7-phenanthroline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-1H-1,7-phenanthroline-3-carboxylic acid",NA,"C1=CNC2=CC=C3C(=NC=C(C3=O)C(=O)O)C2=C1","NCZFSJCBDORBEP-UHFFFAOYSA-N",367727,NA,"PDBC24457","637664","Present",NA,NA
+"24458","4-Oxo-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-2,3,5,6,7,8-hexahydro-1H-naphthalene-1-carboxylic acid",NA,"C1CCC2=C(C1)C(CCC2=O)C(=O)O","PEPDJWVHADLIQY-UHFFFAOYSA-N",361358,NA,"PDBC24458","624384","Present",NA,NA
+"24459","4-Oxo-2-phenyl-1,4-dihydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AUURMJWGTGRBMW-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)C#N","AUURMJWGTGRBMW-UHFFFAOYSA-N",380169,NA,"PDBC24459","665607","Present",NA,NA
+"24460","4-Oxo-2-phenyl-1H-quinoline-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-2-phenyl-1H-quinoline-3-carbaldehyde",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3N2)C=O","ZQEGAPPIYYSYCW-UHFFFAOYSA-N",348143,NA,"PDBC24460","407260","Present",NA,NA
+"24461","4-Oxo-2-phenyl-6,7,8,9-tetrahydro-4H-benzo[g]chromene-10-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-2-phenyl-6,7,8,9-tetrahydro-4H-benzo[g]chromene-10-carboxylic acid",NA,"C1CCC2=C(C3=C(C=C2C1)C(=O)C=C(O3)C4=CC=CC=C4)C(=O)O","VUCCSVCKXQGXSM-UHFFFAOYSA-N",364117,NA,"PDBC24461","629786","Present",NA,NA
+"24462","4-Oxo-3a-phenyl-2,3,3a,4-tetrahydroisoxazolo[2,3-a]indol-2-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-3a-phenyl-2,3,3a,4-tetrahydroisoxazolo[2,3-a]indol-2-yl acetate",NA,"CC(=O)OC1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=CC=C4","OENWUPKAOPGLHR-UHFFFAOYSA-N",374518,NA,"PDBC24462","652269","Present",NA,NA
+"24463","4-Oxo-4-((2-oxo-3,4-dihydro-2H-chromen-3-yl)amino)-3-((trifluoroacetyl)amino)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-4-((2-oxo-3,4-dihydro-2H-chromen-3-yl)amino)-3-((trifluoroacetyl)amino)butanoic acid",NA,"C1C(C(=O)OC2=CC=CC=C21)NC(=O)C(CC(=O)O)NC(=O)C(F)(F)F","SCGLMVDHEVZHRE-UHFFFAOYSA-N",381452,NA,"PDBC24463","668040","Present",NA,NA
+"24464","4-Oxo-4-(1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinolin-6-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-4-(1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinolin-6-yl)butanoic acid",NA,"COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3C(=O)CCC(=O)O","ODJDZYFHAFWCHK-UHFFFAOYSA-N",374227,NA,"PDBC24464","651717","Present",NA,NA
+"24465","4-Oxo-4-(1-oxo-2,3-dihydro-1H-inden-2-yl)-N-(3-(trifluoromethyl)phenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-4-(1-oxo-2,3-dihydro-1H-inden-2-yl)-N-(3-(trifluoromethyl)phenyl)butanamide",NA,"C1C(C(=O)C2=CC=CC=C21)C(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F","NCGMWBFMTPKKHO-UHFFFAOYSA-N",364937,NA,"PDBC24465","631823","Present",NA,NA
+"24466","4-Oxo-4-(1H-pyrrol-2-yl)butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z1982493962",NA,"C1=CNC(=C1)C(=O)CCC(=O)O","IHWFTTRPDRDPCK-UHFFFAOYSA-N",258376,NA,"PDBC24466","87229","Present",NA,NA
+"24467","4-Oxo-4-(2-thioxo-1,3-thiazolidin-3-yl)-2-butanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-4-(2-thioxo-1,3-thiazolidin-3-yl)-2-butanone",NA,"CC(=O)CC(=O)N1CCSC1=S","LRFXCVZNLWLUQU-UHFFFAOYSA-N",378997,NA,"PDBC24467","662765","Present",NA,NA
+"24468","4-Oxo-4-[[[1,4-dioxo-3-(4-methoxyanilino)-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-({3-[(4-methoxyphenyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}amino)-4-oxobutanoate",NA,"COC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)CCC(=O)OC","GPBLNKHWYKYPDE-UHFFFAOYSA-N",382889,NA,"PDBC24468","670766","Present",NA,NA
+"24469","4-Oxo-4-[[[1,4-dioxo-3-(benzylamino)-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-{[3-(benzylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}-4-oxobutanoate",NA,"COC(=O)CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3","BARPSRFFOGFQEV-UHFFFAOYSA-N",382887,NA,"PDBC24469","670764","Present",NA,NA
+"24470","4-Oxo-4-[[[1,4-dioxo-3-anilino-1,4-dihydronaphthalen]-2-yl]amino]butanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-{[1,4-dioxo-3-(phenylamino)-1,4-dihydronaphthalen-2-yl]amino}-4-oxobutanoate",NA,"COC(=O)CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=CC=C3","CPMHTAMOMGBBRK-UHFFFAOYSA-N",382885,NA,"PDBC24470","670762","Present",NA,NA
+"24471","4-Oxo-4-pyren-1-yl-butyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-pyrenebutyric acid, .gamma.-oxo- (8ci)",NA,"C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)CCC(=O)O","AAJQTWWVKREOQP-UHFFFAOYSA-N",82011,NA,"PDBC24471","407628","Present",NA,NA
+"24472","4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid",NA,"C1=CC=C(C=C1)COC2=C3C(=C(C4=CC=CC=C42)O)C(=O)C(=CN3)C(=O)O","CYSNJEHDNBXXPI-UHFFFAOYSA-N",5473267,NA,"PDBC24472","724707","Present",NA,NA
+"24473","4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-5-hydroxy-10-(benzyloxy)-1,4-dihydrobenzo[g]quinoline-3-carboxylic acid ethyl ester",NA,"CCOC(=O)C1=CNC2=C(C3=CC=CC=C3C(=C2C1=O)O)OCC4=CC=CC=C4","GPVZWXLMQMIPGZ-UHFFFAOYSA-N",5473266,NA,"PDBC24473","724706","Present",NA,NA
+"24474","4-Oxo-5H-thiopyrano[3,2-b]indole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiopyrano[3,2-b]indole-2-carboxylic acid, 4,5-dihydro-4...",NA,"C1=CC=C2C(=C1)C3=C(N2)C(=O)C=C(S3)C(=O)O","LFVBYHSVMFAAIY-UHFFFAOYSA-N",190489,NA,"PDBC24474","623545","Present",NA,NA
+"24475","4-Oxo-5alpha-androstano[2,3-d]isoxazol-17beta-ol acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-5.alpha.-androstano[2,3-d]isoxazol-17.beta.-ol ace...",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC5=C(C4=O)ON=C5)C)C","SKAUQTZOMFSDQC-BHXHJNTASA-N",362462,NA,"PDBC24475","626411","Present",NA,NA
+"24476","4-Oxo-8-phenylsulfanyl-1H-1,7-naphthyridine-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-8-phenylsulfanyl-1H-1,7-naphthyridine-3-carboxylic acid",NA,"C1=CC=C(C=C1)SC2=NC=CC3=C2NC=C(C3=O)C(=O)O","CZRXJVSLPIGVQL-UHFFFAOYSA-N",394844,NA,"PDBC24476","698696","Present",NA,NA
+"24477","4-Oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiopyrano[2,3-b]indole-2-carboxylic acid, 4,9-dihydro-4...",NA,"C1=CC=C2C(=C1)C3=C(N2)SC(=CC3=O)C(=O)O","VAGDWNGTSHOBML-UHFFFAOYSA-N",360866,NA,"PDBC24477","623546","Present",NA,NA
+"24478","4-Oxo-N-(6-(((4-oxo-4H-chromen-2-yl)carbonyl)amino)-2-pyridinyl)-4H-chromene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-N-(6-(((4-oxo-4H-chromen-2-yl)carbonyl)amino)-2-pyridinyl)-4H-chromene-2-carboxamide",NA,"C1=CC=C2C(=C1)C(=O)C=C(O2)C(=O)NC3=NC(=CC=C3)NC(=O)C4=CC(=O)C5=CC=CC=C5O4","OUUIOHXMIGYVFF-UHFFFAOYSA-N",371859,NA,"PDBC24478","646379","Present",NA,NA
+"24479","4-Oxopyrimido[2,1-b][1,3]benzothiazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxo-4H-pyrimido[2,1-b][1,3]benzothiazole-3-carboxamide",NA,"C1=CC=C2C(=C1)N3C(=O)C(=CN=C3S2)C(=O)N","QDMCZXWTOWBPEG-UHFFFAOYSA-N",381858,NA,"PDBC24479","669028","Present",NA,NA
+"24480","4-Penten-1-ol, acetate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Penten-1-ol, 5-(2-naphthalenyl)-4-nitro-, acetate (est...",NA,"CC(=O)OCCCC(=CC1=CC2=CC=CC=C2C=C1)[N+](=O)[O-]","GRYDOKPJPSODRL-SFQUDFHCSA-N",5380900,NA,"PDBC24480","106859","Present",NA,NA
+"24481","4-Pentenyl(triphenyl)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pentenyl(triphenyl)stannane",NA,"C=CCCC[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","JIQQGTQIIZOEEA-UHFFFAOYSA-N",363585,NA,"PDBC24481","628581","Present",NA,NA
+"24482","4-Pentynoic acid, 2-amino-2-(hydroxymethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pentynoic acid, 2-amino-2-(hydroxymethyl)-",NA,"C#CCC(CO)(C(=O)O)N","CNOJJEOCVRNHNE-UHFFFAOYSA-N",364079,NA,"PDBC24482","629718","Present",NA,NA
+"24483","4-Phenacyl-benzo[b]thieno[17,3,5(10),16-tetraen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenacyl-benzo[b]thieno[17,16-d]-3-O-methyl-estra-1,3,...",NA,"CC12CCC3C(C1CC4=CC(=C5C(=C24)C=CS5)C(=O)C6=CC=CC=C6)CCC7=C3C=CC(=C7)OC","YWCDVNWRGWUQAX-QKFVYFNMSA-N",45027912,NA,"PDBC24483","740086","Present",NA,NA
+"24484","4-Phenacyloxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Oxo-2-phenylethoxy)-2H-1-benzopyran-2-one",NA,"C1=CC=C(C=C1)C(=O)COC2=CC(=O)OC3=CC=CC=C32","SNHRPWBRXQFXNV-UHFFFAOYSA-N",386272,NA,"PDBC24484","678029","Present",NA,NA
+"24485","4-Phenoxy-N-(3-((4-phenoxyphenyl)imino)-1-propenyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenoxy-N-(3-((4-phenoxyphenyl)imino)-1-propenyl)aniline",NA,"C1=CC=C(C=C1)OC2=CC=C(C=C2)NC=CC=NC3=CC=C(C=C3)OC4=CC=CC=C4","RKUPVTUQRHNILN-UUBFXEKFSA-N",5796252,NA,"PDBC24485","676467","Present",NA,NA
+"24486","4-Phenoxyphenyl cyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenoxyphenyl cyanate",NA,"C1=CC=C(C=C1)OC2=CC=C(C=C2)OC#N","WZBCKKKVBAKJLM-UHFFFAOYSA-N",371795,NA,"PDBC24486","646239","Present",NA,NA
+"24487","4-Phenoxyphthalonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-46508",NA,"C1=CC=C(C=C1)OC2=CC(=C(C=C2)C#N)C#N","CRZSSXUMRNESCC-UHFFFAOYSA-N",371800,NA,"PDBC24487","646245","Present",NA,NA
+"24488","4-Phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinoxaline",NA,"C1NN=C2N1C3=CC=CC=C3N=C2C4=CC=CC=C4","RDPQKAUEQPUMST-UHFFFAOYSA-N",11975183,NA,"PDBC24488","734790","Present",NA,NA
+"24489","4-Phenyl-1,2-dihydroimidazo[1,2-a]quinolin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-2,3-dihydro-1H-imidazo[1,2-a]quinolin-5-one",NA,"C1CN2C3=CC=CC=C3C(=O)C(=C2N1)C4=CC=CC=C4","QQNGVBIHKOHLSX-UHFFFAOYSA-N",395628,NA,"PDBC24489","700412","Present",NA,NA
+"24490","4-Phenyl-1-(1-phenylcyclohexyl)piperidine-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-1-(1-phenylcyclohexyl)piperidine-4-carbonitrile",NA,"C1CCC(CC1)(C2=CC=CC=C2)N3CCC(CC3)(C#N)C4=CC=CC=C4","XIIIJAGNKXMNQT-UHFFFAOYSA-N",388484,NA,"PDBC24490","683439","Present",NA,NA
+"24491","4-Phenyl-1-(2-thienyl)-2-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-1-thiophen-2-yl-2-thiophen-3-ylbutane-1,4-dione",NA,"C1=CC=C(C=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=CS3","JGIALIGJEMTVJE-UHFFFAOYSA-N",395530,NA,"PDBC24491","700220","Present",NA,NA
+"24492","4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2189-0193",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C3=CC=CC=C3)C(=O)O","RUPQNAVADOVYKW-UHFFFAOYSA-N",98738,NA,"PDBC24492","163116","Present",NA,NA
+"24493","4-Phenyl-1-(phenylsulfonyl)azacycloheptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-1-(phenylsulfonyl)azacycloheptane",NA,"C1CC(CCN(C1)S(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3","IAPWLQBJTHMUJZ-UHFFFAOYSA-N",363846,NA,"PDBC24493","629111","Present",NA,NA
+"24494","4-Phenyl-1-3-[(E)-3-(3,5-trimethoxyphenyl)-2-propenoyl]phenyl-2,3-dihydro-1H-2-imidazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-phenyl-1-3-[(E)-3-(3,4,5-trimethoxyphenyl)-2-propenoyl...",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=CC=C4","VCPJZPLCQNRARB-OUKQBFOZSA-N",49862043,NA,"PDBC24494","750330","Present",NA,NA
+"24495","4-Phenyl-2-(2-thienyl)-1-(3-thienyl)-1,4-butanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-2-thiophen-2-yl-1-thiophen-3-ylbutane-1,4-dione",NA,"C1=CC=C(C=C1)C(=O)CC(C2=CC=CS2)C(=O)C3=CSC=C3","FBUUQQWJACMNKO-UHFFFAOYSA-N",395526,NA,"PDBC24495","700216","Present",NA,NA
+"24496","4-Phenyl-2-azabicyclo[3.2.1]octan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-2-azabicyclo[3.2.1]octan-3-one",NA,"C1CC2CC1C(C(=O)N2)C3=CC=CC=C3","BUOOGLKBTUCHMT-UHFFFAOYSA-N",362459,NA,"PDBC24496","626406","Present",NA,NA
+"24497","4-Phenyl-2-butanone 3-thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-46864",NA,"CC(=NNC(=S)N)CCC1=CC=CC=C1","WZAXFTMBTLZLKA-UKTHLTGXSA-N",9569904,NA,"PDBC24497","623641","Present",NA,NA
+"24498","4-Phenyl-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-2-sulfanyl-3,4-dihydroindeno[2,1-d]pyrimidin-9-one",NA,"C1=CC=C(C=C1)C2C3=C(C(=O)C4=CC=CC=C43)NC(=S)N2","TXHPOZJDVVNWEG-UHFFFAOYSA-N",3001709,NA,"PDBC24498","641180","Present",NA,NA
+"24499","4-Phenyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione",NA,"C1=CC=C(C=C1)C2=CC(=O)OC3=C2C=C4C(=O)C=COC4=C3","SOXMYYBQFNEUOF-UHFFFAOYSA-N",373050,NA,"PDBC24499","648883","Present",NA,NA
+"24500","4-Phenyl-5-phenylimino-1,2,4-dithiazolidin-3-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC403818",NA,"C1=CC=C(C=C1)N=C2N(C(=O)SS2)C3=CC=CC=C3.Br","LSURXBLJUBSIAB-UHFFFAOYSA-N",24201118,NA,"PDBC24500","403818","Present",NA,NA
+"24501","4-Phenyl-7-(1-phenylethylidene)-1,2-diazaspiro[4.5]dec-1-en-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-7-(1-phenylethylidene)-1,2-diazaspiro[4.5]dec-1-en-6-one",NA,"CC(=C1CCCC2(C1=O)C(CN=N2)C3=CC=CC=C3)C4=CC=CC=C4","PZYROHBPGUQZHB-KNTRCKAVSA-N",3004410,NA,"PDBC24501","650961","Present",NA,NA
+"24502","4-Phenyl-N-[(4-phenylbenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyl-N-[(4-phenylbenzoyl)-(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)benzamide",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)N(CC3=CN=CC=C3)C(=S)N(CC4=CN=CC=C4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6","VREFKDILDHQBDL-UHFFFAOYSA-N",401374,NA,"PDBC24502","714686","Present",NA,NA
+"24503","4-Phenyl-quinolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656249",NA,"C1=CC=C(C=C1)C2=CC(=O)NC3=CC=CC=C32","QKQNVNSIRYIHDD-UHFFFAOYSA-N",375912,NA,"PDBC24503","656249","Present",NA,NA
+"24504","4-Phenylazacyclohept-4-ylcarboxylic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenylazacyclohept-4-ylcarboxylic acid hydrochloride",NA,"C1CC(CCNC1)(C2=CC=CC=C2)C(=O)O.Cl","IJRDKOLRJYIIFI-UHFFFAOYSA-N",366553,NA,"PDBC24504","635175","Present",NA,NA
+"24505","4-Phenylbutyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenylbutyric Acid",NA,"C1=CC=C(C=C1)CCCC(=O)O","OBKXEAXTFZPCHS-UHFFFAOYSA-N",4775,NA,"PDBC24505","295","Present",NA,NA
+"24506","4-Phenylchalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643135",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3","WUPSFOFYQONBKI-DTQAZKPQSA-N",5356388,NA,"PDBC24506","643135","Present",NA,NA
+"24507","4-Phenylcyclohexanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-016469",NA,"C1CC(=NO)CCC1C2=CC=CC=C2","JTLAHVRPWDIEMU-UHFFFAOYSA-N",343882,NA,"PDBC24507","400452","Present",NA,NA
+"24508","4-Phenylfuro[3,4-c]quinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenylfuro[3,4-c]quinoline-1,3-dione",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C4=C2C(=O)OC4=O","BGUYBCXMKXMAHV-UHFFFAOYSA-N",370369,NA,"PDBC24508","643434","Present",NA,NA
+"24509","4-Phenyliminonaphthalen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyliminonaphthalen-1-one",NA,"C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23","QLVZBXFOEUEIOZ-UHFFFAOYSA-N",344314,NA,"PDBC24509","401166","Present",NA,NA
+"24510","4-Phenyliodoniobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Carboxyphenyl)-phenyl-iodonium",NA,"C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(=O)[O-]","ZHWMVECRPIAUTE-UHFFFAOYSA-N",361633,NA,"PDBC24510","624850","Present",NA,NA
+"24511","4-Phenylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyrimidi ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenylmethylidenehydrazino-6-thioxopyrazolo[3,4-d]pyri...",NA,"C1=CC=C(C=C1)C=NNC2=C3C=NNC3=NC(=S)N2","XOPPMHUGYDRKII-AWNIVKPZSA-N",135436417,NA,"PDBC24511","723124","Present",NA,NA
+"24512","4-Phenylsulfanylquinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"REGID_for_CID_242571",NA,"C1=CC=C(C=C1)SC2=NC=NC3=CC=CC=C32","BBMSQSLFLZTVRX-UHFFFAOYSA-N",242571,NA,"PDBC24512","51331","Present",NA,NA
+"24513","4-Phenyltetrazolo[1,5-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenyltetrazolo[1,5-a]quinoxaline",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N4C2=NN=N4","AOUCPYFCRAWRNU-UHFFFAOYSA-N",399096,NA,"PDBC24513","709512","Present",NA,NA
+"24514","4-Piperidin-1-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidin-1-yl-N-[(E)-1-pyridin-2-ylethylideneamino]piperidine-1-carbothioamide",NA,"CC(=NNC(=S)N1CCC(CC1)N2CCCCC2)C3=CC=CC=N3","DEMGPWXWROKICX-HMMYKYKNSA-N",5371389,NA,"PDBC24514","363070","Present",NA,NA
+"24515","4-Piperidineethanamine, dihydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidineethanamine, 4-nitro-, dihydrobromide",NA,"C1CNCCC1(CCN)[N+](=O)[O-].Br","TYFORIWIAKXDBW-UHFFFAOYSA-N",387095,NA,"PDBC24515","680484","Present",NA,NA
+"24516","4-Piperidinol, 1-(1H-indol-3-ylmethyl)-4-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinol, 1-(1H-indol-3-ylmethyl)-4-phenyl-",NA,"C1CN(CCC1(C2=CC=CC=C2)O)CC3=CNC4=CC=CC=C43","GJYKNFULPQZKCI-UHFFFAOYSA-N",401020,NA,"PDBC24516","713725","Present",NA,NA
+"24517","4-Piperidinol, 1-hydroxy-2,2,6,6-tetramethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TEMPOL",NA,"CC1(CC(CC(N1O)(C)C)O)C","CSGAUKGQUCHWDP-UHFFFAOYSA-N",5395,NA,"PDBC24517","142784","Present",NA,NA
+"24518","4-Piperidinomethyl-2-isopropyl-5-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinomethyl-2-isopropyl-5-methylphenol",NA,"CC1=CC(=C(C=C1CN2CCCCC2)C(C)C)O","YJLSEOKLMNCBLJ-UHFFFAOYSA-N",223285,NA,"PDBC24518","10776","Present",NA,NA
+"24519","4-Piperidinone, 3,5-bis[(2-fluorophenyl)methylene]-, acetate, (3E,5E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis[(2-fluorophenyl)methylene]-, ace...///NSC762346",NA,"C1C(=CC2=CC=CC=C2F)C(=O)C(=CC3=CC=CC=C3F)CN1","NIVYQYSNRUIFIF-KAVGSWPWSA-N",9885748,NA,"PDBC24519","716993///762346","Present",NA,NA
+"24520","4-Piperidinone,5-bis(phenylmethylene)-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 1-[3-(4-morpholinyl)-1-oxopropyl]- 3,5-b...",NA,"C1COCCN1CCC(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2.Cl","XCRLGDJRMWKQNV-WKTUUNTHSA-N",5388500,NA,"PDBC24520","636676","Present",NA,NA
+"24521","4-Piperidinone,5-bis(phenylmethylene)-1-[3-(1-piperidinyl)-1-oxopropyl]-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis(phenylmethylene)-1-[3-(1- piperi...",NA,"C1CCN(CC1)CCC(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2.Cl","RMKOHGCJFBATKK-GLGOHQGWSA-N",45281161,NA,"PDBC24521","634786","Present",NA,NA
+"24522","4-Piperidinone,5-bis-(phenylmethylene)-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 1-[3-(diethylamino)-1-oxopropyl]-3,5-bis...",NA,"CCN(CC)CCC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1.Cl","DFOUTCPHUYDKSD-MGDDWPMISA-N",45281160,NA,"PDBC24522","634785","Present",NA,NA
+"24523","4-Piperidinone,5-bis[[(4-methylthio)phenyl]methylene]-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 3,5-bis[[(4-methylthio)phenyl]methylene]...",NA,"CSC1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)SC)C2=O.Cl","KTDXEYZBMZLKEB-OYJDLGDISA-N",5386952,NA,"PDBC24523","618857","Present",NA,NA
+"24524","4-Piperidinone,6-bis[(2-nitrophenyl)methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 1-methyl-2,6-bis[(2-nitrophenyl)methylene]-",NA,"CN1CC(=CC2=CC=CC=C2[N+](=O)[O-])C(=O)C(=CC3=CC=CC=C3[N+](=O)[O-])C1","BHUSMMHAJOOVIE-OTYYAQKOSA-N",5468197,NA,"PDBC24524","673650","Present",NA,NA
+"24525","4-Piperidinopyrazolo[3,4-d]pyrimidin-6-thion",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinopyrazolo[3,4-d]pyrimidin-6-thion",NA,"C1CCN(CC1)C2=NC(=S)NC3=C2C=NN3","BOOXRPKWYUWMCD-UHFFFAOYSA-N",135436397,NA,"PDBC24525","722946","Present",NA,NA
+"24526","4-Prop-2-enyl-3-[4-[2-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Prop-2-enyl-3-[4-[2-[4-(4-prop-2-enyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]phenyl]-1H-1,2,4-triazole-5-thione",NA,"C=CCN1C(=NNC1=S)C2=CC=C(C=C2)NN=NC3=CC=C(C=C3)C4=NNC(=S)N4CC=C","ALBGXRVJWNBOHY-UHFFFAOYSA-N",5472011,NA,"PDBC24526","715976","Present",NA,NA
+"24527","4-Propyl-7,8-dichloro-1,2,5,6-tetrahydrobenzo[f]quinolin-3(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Propyl-7,8-dichloro-1,2,5,6-tetrahydrobenzo[f]quinolin-3(4H)-one",NA,"CCCN1C2=C(CCC1=O)C3=C(CC2)C(=C(C=C3)Cl)Cl","CHOIHZUDNBGIBC-UHFFFAOYSA-N",402674,NA,"PDBC24527","716860","Present",NA,NA
+"24528","4-Propyl-N-(3,4,5-trimethoxybenzylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-n-Propyl-N-(3,4,5-trimethoxybenzylene)aniline",NA,"CCCC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","QSIMKGFSGDCQSI-UHFFFAOYSA-N",373811,NA,"PDBC24528","650774","Present",NA,NA
+"24529","4-Pyrazoleacetonitrile, 3-methyl-5-(2-nitrophenyl)-1-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrazoleacetonitrile, 3-methyl-5-(2-nitrophenyl)-1-phe...",NA,"CC1=NN(C(=C1CC#N)C2=CC=CC=C2[N+](=O)[O-])C3=CC=CC=C3","YXTDGTJQEODCGX-UHFFFAOYSA-N",360920,NA,"PDBC24529","623634","Present",NA,NA
+"24530","4-Pyridazinealanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridazinealanine",NA,"C1=CN=NC=C1CC(C(=O)O)N","IOIQFYKCCUDSQT-UHFFFAOYSA-N",258953,NA,"PDBC24530","88416","Present",NA,NA
+"24531","4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-di...",NA,"C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCO)C#N)Cl","XYKMDIKOEHWYBP-UHFFFAOYSA-N",100710,NA,"PDBC24531","351478","Present",NA,NA
+"24532","4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-di...",NA,"C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)F)CCO)C#N)F","ZTJLBJCCZJQZSD-UHFFFAOYSA-N",100761,NA,"PDBC24532","362454","Present",NA,NA
+"24533","4-Pyridin-2-yl-N-[1-(1,3-thiazol-2-yl)ethylideneamino]piperazine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, [1-(2- t...",NA,"CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=NC=CS3","YEZYPWUWHPJFLE-LDADJPATSA-N",5464851,NA,"PDBC24533","354671","Present",NA,NA
+"24534","4-Pyridin-3-yl-2-(2,3,5-trichlorophenyl)-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridin-3-yl-2-(2,3,5-trichlorophenyl)-1,3-thiazole",NA,"C1=CC(=CN=C1)C2=CSC(=N2)C3=C(C(=CC(=C3)Cl)Cl)Cl","LFISOAAWJLTVQZ-UHFFFAOYSA-N",24814783,NA,"PDBC24534","742842","Present",NA,NA
+"24535","4-Pyridinebutanamide, N-(4-bromo-2,6-dimethylphenyl)-beta-(1,3-dihydro-3-oxo-1-isobenzofuranyl)-alpha,gamma-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromo-2,6-dimethylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide",NA,"CC1=CC(=CC(=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=NC=C4)C)Br","KEKSCVKSYWXSLJ-UHFFFAOYSA-N",370986,NA,"PDBC24535","644792","Present",NA,NA
+"24536","4-Pyridinecarbohydrazonic acid, N-[(1E)-(3,4-dichlorophenyl)methylene]-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridinecarbohydrazonic acid, N-[(1E)-(3,4-dichlorophenyl)methylene]-, methyl ester",NA,"COC(=NN=CC1=CC(=C(C=C1)Cl)Cl)C2=CC=NC=C2","XCNVQBYFDVXDCR-UPVQPNEJSA-N",9555925,NA,"PDBC24536","655512","Present",NA,NA
+"24537","4-Pyridinecarbohydrazonic acid, N-[(1E)-[3-(trifluoromethyl)phenyl]methylene]-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridinecarbohydrazonic acid, N-[(1E)-[3-(trifluoromethyl)phenyl]methylene]-, methyl ester",NA,"COC(=NN=CC1=CC(=CC=C1)C(F)(F)F)C2=CC=NC=C2","YONVHTJZFTZPJS-XAMHROORSA-N",9555922,NA,"PDBC24537","655509","Present",NA,NA
+"24538","4-Pyridinecarboxamide, N-[(2S,5R)-2-(2,4-dichlorophenyl)-5-methyl-4-oxo-3-thiazolidinyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridinecarboxamide, N-[(2S,5R)-2-(2,4-dichlorophenyl)-5-methyl-4-oxo-3-thiazolidinyl]-",NA,"CC1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3","OUFBVXRHAXPBPF-ABKXIKBNSA-N",383380,NA,"PDBC24538","671550","Present",NA,NA
+"24539","4-Pyridinecarboxamide, N-[(4Z)-4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-4,5-dihydro-5-oxo-2-phenyl-1H-imidazol-1-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylidene]-5-oxo-2-phenylimidazol-1-yl]pyridine-4-carboxamide",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2NC(=O)C4=CC=NC=C4","OGEIJDNTSQNVFB-QQTULTPQSA-N",5469995,NA,"PDBC24539","695307","Present",NA,NA
+"24540","4-Pyridinecarboxamide, N-[2-(2-furanyl)-4-oxo-3-thiazolidinyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridinecarboxamide, N-[2-(2-furanyl)-4-oxo-3-thiazolidinyl]-",NA,"C1C(=O)N(C(S1)C2=CC=CO2)NC(=O)C3=CC=NC=C3","SKHFXZQAMFJTEE-UHFFFAOYSA-N",391297,NA,"PDBC24540","690251","Present",NA,NA
+"24541","4-Pyridinecarboxamide, N-[2-(5-methyl-2-thienyl)-4-oxo-3-thiazolidinyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyridinecarboxamide, N-[2-(5-methyl-2-thienyl)-4-oxo-3-thiazolidinyl]-",NA,"CC1=CC=C(S1)C2N(C(=O)CS2)NC(=O)C3=CC=NC=C3","RSLSYAZBMPEIRJ-UHFFFAOYSA-N",391296,NA,"PDBC24541","690250","Present",NA,NA
+"24542","4-Pyridinecarboxylic acid, 2-[4-[(2-methoxyphenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-(2-Methoxyanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,"COC1=CC=CC=C1NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","NKODLHHDQTXNGX-UHFFFAOYSA-N",378406,NA,"PDBC24542","660824","Present",NA,NA
+"24543","4-Pyridinecarboxylic acid, 2-[4-[(3-chlorophenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-(3-Chloroanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,"C1=CC=C(C=C1)CC(=O)NNC2=NC(=NC(=N2)NC3=CC(=CC=C3)Cl)NNC(=O)C4=CC=NC=C4","VODJAOJWUCUKJP-UHFFFAOYSA-N",378407,NA,"PDBC24543","660825","Present",NA,NA
+"24544","4-Pyridinecarboxylic acid, 2-[4-[(3-methoxyphenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-(3-Methoxyanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,"COC1=CC=CC(=C1)NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","LBWGASZKGJMWGN-UHFFFAOYSA-N",378409,NA,"PDBC24544","660827","Present",NA,NA
+"24545","4-Pyridinecarboxylic acid, 2-[4-[(3-methylphenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-(3-Methylanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,"CC1=CC(=CC=C1)NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","LGUDUWUZMNVVLK-UHFFFAOYSA-N",378408,NA,"PDBC24545","660826","Present",NA,NA
+"24546","4-Pyridinecarboxylic acid, 2-[4-[(4-chlorophenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-(4-Chloroanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,"C1=CC=C(C=C1)CC(=O)NNC2=NC(=NC(=N2)NC3=CC=C(C=C3)Cl)NNC(=O)C4=CC=NC=C4","GIYAZSFLLRCLQY-UHFFFAOYSA-N",378410,NA,"PDBC24546","660828","Present",NA,NA
+"24547","4-Pyridinecarboxylic acid, 2-[4-[(4-methylphenyl)amino]-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-(4-Methylanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,"CC1=CC=C(C=C1)NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","ZEZUJBJARBIJTL-UHFFFAOYSA-N",378411,NA,"PDBC24547","660829","Present",NA,NA
+"24548","4-Pyridinecarboxylic acid, 2-[4-[2-(2-phenylacetyl)hydrazino]-6-(phenylamino)-1,3,5-triazin-2-yl]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-Anilino-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,"C1=CC=C(C=C1)CC(=O)NNC2=NC(=NC(=N2)NC3=CC=CC=C3)NNC(=O)C4=CC=NC=C4","XVHFFSYZCPZUIZ-UHFFFAOYSA-N",378404,NA,"PDBC24548","660822","Present",NA,NA
+"24549","4-Pyrimidinebutanamide, 6-amino-5-(1H-benzimidazol-2-yl)-2-(cyanoamino)-1,6-dihydro-N-(3-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-Amino-5-(1H-benzimidazol-2-yl)-2-(cyanoamino)-1,4-dihydropyrimidin-6-yl]-N-(3-nitrophenyl)butanamide",NA,"C1=CC=C2C(=C1)NC(=N2)C3=C(NC(=NC3N)NC#N)CCCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]","LENAIKAXGUSZFD-UHFFFAOYSA-N",364856,NA,"PDBC24549","631669","Present",NA,NA
+"24550","4-Pyrimidinecarboxamide, 2,6-diamino-5-(2-methylphenyl)-N-2-thiazolyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinecarboxamide, 2,6-diamino-5-(2-methylphenyl)-N-2-thiazolyl-",NA,"CC1=CC=CC=C1C2=C(N=C(N=C2N)N)C(=O)NC3=NC=CS3","IHNSXFYYUFOAKA-UHFFFAOYSA-N",364268,NA,"PDBC24550","630285","Present",NA,NA
+"24551","4-Pyrimidinecarboxamide, 2,6-diamino-5-phenyl-N-2-thiazolyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinecarboxamide, 2,6-diamino-5-phenyl-N-2-thiazolyl-",NA,"C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)C(=O)NC3=NC=CS3","XGDBVYPSZGYLPA-UHFFFAOYSA-N",364930,NA,"PDBC24551","631816","Present",NA,NA
+"24552","4-Pyrimidinecarboxamide, 2,6-diamino-N,5-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinecarboxamide, 2,6-diamino-N,5-diphenyl-",NA,"C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)C(=O)NC3=CC=CC=C3","QFOJQYLZDXTHIW-UHFFFAOYSA-N",361438,NA,"PDBC24552","624460","Present",NA,NA
+"24553","4-Pyrimidinecarboxamide, 2,6-diamino-N-(3,4-dichlorophenyl)-5-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinecarboxamide, 2,6-diamino-N-(3,4-dichlorophenyl)-5-phenyl-",NA,"C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)C(=O)NC3=CC(=C(C=C3)Cl)Cl","NOMNZYQWBUDZJI-UHFFFAOYSA-N",364949,NA,"PDBC24553","631835","Present",NA,NA
+"24554","4-Pyrimidinecarboxamide, 6-amino-2-(cyanoamino)-5-(2-methylphenyl)-N-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinecarboxamide, 6-amino-2-(cyanoamino)-5-(2-methylphenyl)-N-phenyl-",NA,"CC1=CC=CC=C1C2=C(N=C(N=C2N)NC#N)C(=O)NC3=CC=CC=C3","OSFHJQBTXLODHV-UHFFFAOYSA-N",360302,NA,"PDBC24554","622337","Present",NA,NA
+"24555","4-Pyrimidinecarboxamide, 6-amino-5-(4-chlorophenyl)-2-(cyanoamino)-N-2-thiazolyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinecarboxamide, 6-amino-5-(4-chlorophenyl)-2-(cyanoamino)-N-2-thiazolyl-",NA,"C1=CC(=CC=C1C2=C(N=C(N=C2N)NC#N)C(=O)NC3=NC=CS3)Cl","CBPNTXMUDXZEQD-UHFFFAOYSA-N",364946,NA,"PDBC24555","631832","Present",NA,NA
+"24556","4-Pyrimidinecarboxylic acid, 2-amino-5-(4-chlorophenyl)-6-hydroxy-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinecarboxylic acid, 2-amino-5-(4-chlorophenyl)-6-hydroxy-, methyl ester",NA,"COC(=O)C1=C(C(=O)NC(=N1)N)C2=CC=C(C=C2)Cl","ZHUJLELWTXQIOW-UHFFFAOYSA-N",135499579,NA,"PDBC24556","635139","Present",NA,NA
+"24557","4-Pyrimidinecarboxylic acid, 5-hexadecyl-2-hydrazino-6-hydroxy-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinecarboxylic acid, 5-hexadecyl-2-hydrazino-6-hydroxy-, methyl ester",NA,"CCCCCCCCCCCCCCCCC1=C(N=C(NC1=O)NN)C(=O)OC","FHPQPNHZJPOIBF-UHFFFAOYSA-N",135454648,NA,"PDBC24557","635135","Present",NA,NA
+"24558","4-Pyrimidinepropanamide, 2,6-diamino-N-(3,4-dimethylphenyl)-5-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinepropanamide, 2,6-diamino-N-(3,4-dimethylphenyl)-5-phenyl-",NA,"CC1=C(C=C(C=C1)NC(=O)CCC2=C(C(=NC(=N2)N)N)C3=CC=CC=C3)C","JJQYQARPYTWDPS-UHFFFAOYSA-N",362288,NA,"PDBC24558","625899","Present",NA,NA
+"24559","4-Pyrimidinepropanamide, 2,6-diamino-N-(4-chlorophenyl)-5-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinepropanamide, 2,6-diamino-N-(4-chlorophenyl)-5-phenyl-",NA,"C1=CC=C(C=C1)C2=C(N=C(N=C2N)N)CCC(=O)NC3=CC=C(C=C3)Cl","MDUQLWNJNVLIGH-UHFFFAOYSA-N",362298,NA,"PDBC24559","625909","Present",NA,NA
+"24560","4-Pyrimidinepropanamide, 6-amino-2-(cyanoamino)-5-(4-methylphenyl)-N-(2-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrimidinepropanamide, 6-amino-2-(cyanoamino)-5-(4-methylphenyl)-N-(2-nitrophenyl)-",NA,"CC1=CC=C(C=C1)C2=C(N=C(N=C2N)NC#N)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]","VAEYJLPYMGDPCS-UHFFFAOYSA-N",360338,NA,"PDBC24560","622387","Present",NA,NA
+"24561","4-Pyrrolidin-1-yl-2-[(1E,3E)-4-pyrrolidin-1-ylbuta-1,3-dienyl]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Pyrrolidin-1-yl-2-[(1E,3E)-4-pyrrolidin-1-ylbuta-1,3-dienyl]quinazoline",NA,"C1CCN(C1)C=CC=CC2=NC3=CC=CC=C3C(=N2)N4CCCC4","NWASADKCGNUUNY-HMMKTVFPSA-N",5467021,NA,"PDBC24561","646856","Present",NA,NA
+"24562","4-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinazolinamine, 2-[2-(1-pyrrolidinylazo)phenyl]-",NA,"C1CCN(C1)N=NC2=CC=CC=C2C3=NC4=CC=CC=C4C(=N3)N","MPVUVXGYWCUFOB-UHFFFAOYSA-N",424332,NA,"PDBC24562","163424","Present",NA,NA
+"24563","4-Quinolinamine, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline, 4-[.alpha.-[bis(2-chloroethyl)amino]-4-methox...",NA,"COC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)CN(CCCl)CCCl.Cl","FGMBYMQIZGQOSC-UHFFFAOYSA-N",24183684,NA,"PDBC24563","29459","Present",NA,NA
+"24564","4-Quinolinecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinolinecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone",NA,"C1=CC=C2C(=C1)C(=CC=N2)C=NNC3=C(C=CC(=C3)Cl)[N+](=O)[O-]","XWSPKXFJSNKKCV-VXLYETTFSA-N",9571415,NA,"PDBC24564","658005","Present",NA,NA
+"24565","4-Quinolinecarbaldehyde methyl(2,4,6-tris(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-2,4,6-trinitro-N-[(E)-4-quinolylmethyleneamino]aniline",NA,"CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=NC3=CC=CC=C23","MKANMEGRRDWBDN-VXLYETTFSA-N",9555806,NA,"PDBC24565","630682","Present",NA,NA
+"24566","4-Quinolinecarboxylic acid, 2-(4-cyclohexylphenyl)-6-fluoro-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinolinecarboxylic acid, 2-(4-cyclohexylphenyl)-6-flu...",NA,"CC1=C(C2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)C4CCCCC4)C(=O)O","GBGDJTGJJQHTCJ-UHFFFAOYSA-N",5167181,NA,"PDBC24566","339768","Present",NA,NA
+"24567","4-Quinolinone,2,3,4-tetrahydro-1-[(4-methylphenyl)sulfonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinolinone, 6-bromo-1,2,3,4-tetrahydro-1-[(4-methylph...",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC(=O)C3=C2C=CC(=C3)Br","PGQCMPBSCIJTMB-UHFFFAOYSA-N",395752,NA,"PDBC24567","700552","Present",NA,NA
+"24568","4-Sec-butyl-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Sec-butyl-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC24568","658194","Present",NA,NA
+"24569","4-Selenazolecarboxamide, 2-beta-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Selenazolecarboxamide, 2-.beta.-D-ribofuranosyl-",NA,"C1=C(N=C([Se]1)C2C(C(C(O2)CO)O)O)C(=O)N","CKMBACZHCFMPLQ-UHFFFAOYSA-N",334706,NA,"PDBC24569","340847","Present",NA,NA
+"24570","4-Tert-Butyl-1-phenyl-cyclohexanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-Butyl-1-phenyl-cyclohexanol",NA,"CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)O.CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)O","MWEHKQXZMOTZHW-UHFFFAOYSA-N",357449,NA,"PDBC24570","616273","Present",NA,NA
+"24571","4-Tert-Butyl-1-phenylphosphinane 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-Butyl-1-phenylphosphinane 1-oxide",NA,"CC(C)(C)C1CCP(=O)(CC1)C2=CC=CC=C2","GJQJOUVXPNFRTE-UHFFFAOYSA-N",357422,NA,"PDBC24571","616252","Present",NA,NA
+"24572","4-Tert-Butyl-2-(hydroxy(2-pyridinyl)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-Butyl-2-(hydroxy(2-pyridinyl)methyl)phenol",NA,"CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CC=CC=N2)O","KYDMSJACVKSRNS-UHFFFAOYSA-N",385585,NA,"PDBC24572","676882","Present",NA,NA
+"24573","4-Tert-Butyl-2-(hydroxy(3-pyridinyl)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-Butyl-2-(hydroxy(3-pyridinyl)methyl)phenol",NA,"CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CN=CC=C2)O","DWKKJECJDAEXFY-UHFFFAOYSA-N",385586,NA,"PDBC24573","676883","Present",NA,NA
+"24574","4-Tert-Butyl-2-(hydroxy(4-pyridinyl)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-Butyl-2-(hydroxy(4-pyridinyl)methyl)phenol",NA,"CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CC=NC=C2)O","UPXHKAVJROXSCZ-UHFFFAOYSA-N",385587,NA,"PDBC24574","676884","Present",NA,NA
+"24575","4-Tert-Butylcalix[8]arene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABP001036",NA,"CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=CC(=CC(=C6O)CC7=C(C(=CC(=C7)C(C)(C)C)CC8=C(C(=CC(=C8)C(C)(C)C)CC9=C(C(=CC(=C9)C(C)(C)C)C2)O)O)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)O","OLZFZIXORGGLLS-UHFFFAOYSA-N",434172,NA,"PDBC24575","344028","Present",NA,NA
+"24576","4-Tert-butyl-1-(11,12-diazatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,12-hexaen-10-yl)-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-tert-butyl-1-[?]yl-1,2,4-triazolidine-3,5-dione",NA,"CC(C)(C)N1C(=O)NN(C1=O)C2C3=CC=CC4=C3C(=CC=C4)C=NN2","IFKHBTYTLLZHPJ-UHFFFAOYSA-N",391918,NA,"PDBC24576","691598","Present",NA,NA
+"24577","4-Tert-butyl-1-[(4-tert-butylpyridin-1-ium-1-yl)methyl]pyridin-1-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-1-[(4-tert-butylpyridin-1-ium-1-yl)methyl]pyridin-1-ium;iodide",NA,"CC(C)(C)C1=CC=[N+](C=C1)C[N+]2=CC=C(C=C2)C(C)(C)C.[I-]","XYNUQWWYGCRJDM-UHFFFAOYSA-M",358070,NA,"PDBC24577","617849","Present",NA,NA
+"24578","4-Tert-butyl-1-ethenylcyclohexane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-1-ethenylcyclohexane-1-carboxylic acid",NA,"CC(C)(C)C1CCC(CC1)(C=C)C(=O)O","BYFDBTNMLMXIMU-UHFFFAOYSA-N",358273,NA,"PDBC24578","618217","Present",NA,NA
+"24579","4-Tert-butyl-1-methylpiperidin-4-ol;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683442",NA,"CC(C)(C)C1(CCN(CC1)C)O.C(=O)(C(=O)O)O","KIARTYMALAQNCH-UHFFFAOYSA-N",388488,NA,"PDBC24579","683442","Present",NA,NA
+"24580","4-Tert-butyl-1-phenylcyclohexanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-1-phenylcyclohexanol",NA,"CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)O","ZNRSAQUSEPSLQP-UHFFFAOYSA-N",357428,NA,"PDBC24580","616258","Present",NA,NA
+"24581","4-Tert-butyl-2,6-bis((dimethylamino)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48477",NA,"CC(C)(C)C1=CC(=C(C(=C1)CN(C)C)O)CN(C)C","HFYDSFHQXIJOCT-UHFFFAOYSA-N",223214,NA,"PDBC24581","48477","Present",NA,NA
+"24582","4-Tert-butyl-2,6-bis(trimethylsilyl)benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-2,6-bis(trimethylsilyl)benzonitrile",NA,"CC(C)(C)C1=CC(=C(C(=C1)[Si](C)(C)C)C#N)[Si](C)(C)C","UPIWPBFROKYUFP-UHFFFAOYSA-N",357624,NA,"PDBC24582","617148","Present",NA,NA
+"24583","4-Tert-butyl-2,6-bis[(hexylamino)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-2,6-bis[(hexylamino)methyl]phenol",NA,"CCCCCCNCC1=CC(=CC(=C1O)CNCCCCCC)C(C)(C)C","GPRWMHCAGDWJTM-UHFFFAOYSA-N",240960,NA,"PDBC24583","47943","Present",NA,NA
+"24584","4-Tert-butyl-2,6-bis{[(2,4,4-trimethylpentan-2-yl)amino]methyl}phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-2,6-bis{[(2,4,4-trimethylpentan-2-yl)amino]methyl}phenol",NA,"CC(C)(C)CC(C)(C)NCC1=CC(=CC(=C1O)CNC(C)(C)CC(C)(C)C)C(C)(C)C","OCGKRRNLIFTSSS-UHFFFAOYSA-N",241254,NA,"PDBC24584","48492","Present",NA,NA
+"24585","4-Tert-butyl-2-(((5-tert-butyl-2-hydroxybenzyl)anilino)methyl)phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-[(Phenylimino)dimethanediyl]bis(4-tert-butylphenol)",NA,"CC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC(=C2)C(C)(C)C)O)C3=CC=CC=C3","PNAKTKQCGUAXKF-UHFFFAOYSA-N",241399,NA,"PDBC24585","48708","Present",NA,NA
+"24586","4-Tert-butyl-2-((cyclohexylamino)methyl)-6-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-tert-butyl-2-((cyclohexylamino)methyl)-6-methylphenol",NA,"CC1=CC(=CC(=C1O)CNC2CCCCC2)C(C)(C)C","DVMJYVSFWOSELO-UHFFFAOYSA-N",241059,NA,"PDBC24586","48160","Present",NA,NA
+"24587","4-Tert-butyl-2-[(5-tert-butyl-2-hydroxy-phenyl)-(4-nitrophenyl)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-2-[(5-tert-butyl-2-hydroxy-phenyl)-(4-nitrophenyl)methyl]phenol",NA,"CC(C)(C)C1=CC(=C(C=C1)O)C(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C=CC(=C3)C(C)(C)C)O","TXLFKLPZKULTBI-UHFFFAOYSA-N",389723,NA,"PDBC24587","686315","Present",NA,NA
+"24588","4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)phenol;phosphoric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)phenol;phosphoric acid",NA,"CC(C)(C)C1=CC(=C(C(=C1)C2=CC=C(C=C2)Cl)O)CNC(C)(C)C.OP(=O)(O)O","QQJCAFIVIDWAOD-UHFFFAOYSA-N",328156,NA,"PDBC24588","305827","Present",NA,NA
+"24589","4-Tert-butyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-2-carbonyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-2-[[6-[[(1R)-1-phenylethyl]carbamoylamino]pyridine-2-carbonyl]amino]benzoic acid",NA,"CC(C1=CC=CC=C1)NC(=O)NC2=CC=CC(=N2)C(=O)NC3=C(C=CC(=C3)C(C)(C)C)C(=O)O","OGNMPKCAKAXDMS-MRXNPFEDSA-N",393234,NA,"PDBC24589","694861","Present",NA,NA
+"24590","4-Tert-butyl-2-cyclohexyl-6-[(dimethylamino)methyl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-2-cyclohexyl-6-[(dimethylamino)methyl]phenol;hydrochloride",NA,"CC(C)(C)C1=CC(=C(C(=C1)C2CCCCC2)O)CN(C)C.Cl","CWUYYTWRNOSHLE-UHFFFAOYSA-N",24192538,NA,"PDBC24590","141103","Present",NA,NA
+"24591","4-Tert-butyl-3-(tert-butylamino)-1,2,4-oxadiazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-3-(tert-butylamino)-1,2,4-oxadiazol-5-one",NA,"CC(C)(C)NC1=NOC(=O)N1C(C)(C)C","POYOOYIPXBXFSD-UHFFFAOYSA-N",390091,NA,"PDBC24591","687034","Present",NA,NA
+"24592","4-Tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene-2,5-cyclohexadiene-1,1-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-ylidene-2,5-cyclohexadiene-1,1-dicarbonitrile",NA,"C1CC2COC(=C3C=CC(C=C3)(C#N)C#N)N2C1","DRFRNKRZIJVYAZ-UHFFFAOYSA-N",363745,NA,"PDBC24592","628936","Present",NA,NA
+"24593","4-Theinylmethylidenhydrazino-6-thioxopyrazolo[3,4-d]pyrimidi ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Theinylmethylidenhydrazino-6-thioxopyrazolo[3,4-d]pyri...",NA,"CCOC(=O)C.C1=CSC(=C1)C=NNC2=NC(=S)NC3=C2C=NN3","HFDBOTYQOJCRRX-SODSUQDMSA-N",135436412,NA,"PDBC24593","723121","Present",NA,NA
+"24594","4-Thiazolamine, 5-[(1H-indol-3-yl)carbonyl]-2-[(4-methoxyphenyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, [4-amino-2-[(4-methoxyphenyl)amino]-5-thiazol...",NA,"COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CNC4=CC=CC=C43)N","YZMDVWIQRJRQRE-UHFFFAOYSA-N",399018,NA,"PDBC24594","709439","Present",NA,NA
+"24595","4-Thiazolecarboxylic acid, 5-[(4-methoxybenzoyl)amino]-2-(methylthio)-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Thiazolecarboxylic acid, 5-[(4-methoxybenzoyl)amino]-2-(methylthio)-, ethyl ester",NA,"CCOC(=O)C1=C(SC(=N1)SC)NC(=O)C2=CC=C(C=C2)OC","PGZFOBXINYQNEF-UHFFFAOYSA-N",382375,NA,"PDBC24595","669933","Present",NA,NA
+"24596","4-Thiazolidinecarboxamide, 3-acetyl-N-(4-morpholinyl)-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Thiazolidinecarboxamide, 3-acetyl-N-(4-morpholinyl)-2-phenyl-",NA,"CC(=O)N1C(CSC1C2=CC=CC=C2)C(=O)NN3CCOCC3","QPMAXKRIAUACDA-UHFFFAOYSA-N",381981,NA,"PDBC24596","669301","Present",NA,NA
+"24597","4-Thiazolidinone, 2-(4-nitrophenyl)-3-[4-(5,6,7,8-tetrahydro-2-naphthalenyl)-2-thiazolyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-nitrophenyl)-3-(4-(5,6,7,8-tetrahydronaphthalen-2-y...",NA,"C1CCC2=C(C1)C=CC(=C2)C3=CSC(=N3)N4C(SCC4=O)C5=CC=C(C=C5)[N+](=O)[O-]","HTXSNCDQUOKHEB-UHFFFAOYSA-N",386926,NA,"PDBC24597","680089","Present",NA,NA
+"24598","4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Thiazolidinone, 3-(1-phenylethyl)-2-thioxo-",NA,"CC(C1=CC=CC=C1)N2C(=O)CSC2=S","KQSHNYSKESUNOZ-UHFFFAOYSA-N",99773,NA,"PDBC24598","209926","Present",NA,NA
+"24599","4-Thiazolidinone, 3-(2-furanyl)-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Thiazolidinone, 3-(2-furanyl)-2-thioxo-",NA,"C1C(=O)N(C(=S)S1)C2=CC=CO2","OUDCIOTVDQZWOP-UHFFFAOYSA-N",289102,NA,"PDBC24599","150551","Present",NA,NA
+"24600","4-Thiazolidinone, 3-[4-(4-chlorophenyl)[2,4'-bithiazol]-2'-yl]-2-(4-methoxyphenyl)-5-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[4-(4-Chlorophenyl)thiazol-2-yl]thiazol-2-yl]-2-(4-methoxyphenyl)-5-methyl-thiazolidin-4-one",NA,"CC1C(=O)N(C(S1)C2=CC=C(C=C2)OC)C3=NC(=CS3)C4=NC(=CS4)C5=CC=C(C=C5)Cl","WUEONROHVDUEIL-UHFFFAOYSA-N",376253,NA,"PDBC24600","656961","Present",NA,NA
+"24601","4-Thiazolidinone,4,5-trimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Thiazolidinone, 3-(4-chlorophenyl)-2-(3,4,5-trimethoxy...",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=C(C=C3)Cl","RRALBUQSJRAPDV-UHFFFAOYSA-N",396385,NA,"PDBC24601","702338","Present",NA,NA
+"24602","4-Thienylidenamino-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Thienylidenamino-1-methylpyrazolo[3,4-d]pyrimidin-6-thiol",NA,"CN1C2=NC(=S)NC(=C2C=N1)N=CC3=CC=CS3","FJWKBSBKQJLICI-LFYBBSHMSA-N",135436399,NA,"PDBC24602","722949","Present",NA,NA
+"24603","4-Thiocyanato-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Thiocyanato-benzenesulfonamide",NA,"C1=CC(=CC=C1SC#N)S(=O)(=O)N","JAOXYZVWRQDPGB-UHFFFAOYSA-N",296284,NA,"PDBC24603","166291","Present",NA,NA
+"24604","4-Thioureido-5,6-dichlorobenzene-1,3-disulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Thioureido-5,6-dichlorobenzene-1,3-disulfonamide",NA,"C1=C(C(=C(C(=C1S(=O)(=O)N)Cl)Cl)NC(=S)N)S(=O)(=O)N","PERGVKZLZFGENF-UHFFFAOYSA-N",5470533,NA,"PDBC24604","702691","Present",NA,NA
+"24605","4-Thioxo-1,7-bis(triphenylphosphoranylidene)-2,6-heptanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Thioxo-1,7-bis(triphenylphosphoranylidene)-2,6-heptanedione",NA,"C1=CC=C(C=C1)P(=CC(=O)CC(=S)CC(=O)C=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","VFLIHDCDLMSQQU-UHFFFAOYSA-N",361857,NA,"PDBC24605","625178","Present",NA,NA
+"24606","4-Trifluoromethyl-benzoic acid N-[1-biphenyl-4-sulfonyl)-piperidine-4-carbonyl]-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Trifluoromethyl-benzoic acid N-[1-biphenyl-4-sulfonyl)...",NA,"C1CN(CCC1C(=O)NNC(=O)C2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4","VQMRNRSNLOCULG-UHFFFAOYSA-N",24204399,NA,"PDBC24606","731726","Present",NA,NA
+"24607","4-Tritylaniline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624226",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)N.Cl","GGYQDMHUVMIEFM-UHFFFAOYSA-N",361283,NA,"PDBC24607","624226","Present",NA,NA
+"24608","4-Trityloxybutan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Trityloxybutan-1-ol",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCCCO","CGCHCSJZVSGAIH-UHFFFAOYSA-N",371702,NA,"PDBC24608","646152","Present",NA,NA
+"24609","4-Tritylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC56593",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)O","NIPKXTKKYSKEON-UHFFFAOYSA-N",70422,NA,"PDBC24609","56593","Present",NA,NA
+"24610","4-Vinyl-2,3-dihydro-1,2,3-thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Vinyl-2,3-dihydro-1,2,3-thiadiazole",NA,"C=CC1=CSNN1","OCFITHDNYNRQPC-UHFFFAOYSA-N",366511,NA,"PDBC24610","635120","Present",NA,NA
+"24611","4-[(1-Adamantanamino)methyl]-3-hydroxy-2(1H)-pyridone, hydrate [10:7:11]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(1-Adamantanamino)methyl]-3-hydroxy-2(1H)-pyridone, s...",NA,"C1C2CC3CC1CC(C2)(C3)NCC4=C(C(=O)NC=C4)O.[Na+]","CAQHQSAXFHFURL-UHFFFAOYSA-N",54608123,NA,"PDBC24611","647245","Present",NA,NA
+"24612","4-[(1-Methyl-6-nitroquinolin-4-ylidene)amino]-N-[4-[(1-methylpyridin-4-ylidene)amino]phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 4-[(1-methyl-6-nitro-4(1H)-quinolinylidene)am...",NA,"CN1C=CC(=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N=C4C=CN(C5=C4C=C(C=C5)[N+](=O)[O-])C)C=C1","SDVVSJQTYKFAFR-UHFFFAOYSA-N",319089,NA,"PDBC24612","260594","Present",NA,NA
+"24613","4-[(1-Oxoindan-2-ylidene)methyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(1-Oxoindan-2-ylidene)methyl]benzonitrile",NA,"C1C2=CC=CC=C2C(=O)C1=CC3=CC=C(C=C3)C#N","RQOUCEMLHPVXMH-OQLLNIDSSA-N",5467941,NA,"PDBC24613","660229","Present",NA,NA
+"24614","4-[(1-{3-[(3-Methoxyphenyl)amino]-3-oxopropanoyl}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(1-{3-[(3-methoxyphenyl)amino]-3-oxopropanoyl}-3-meth...",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC(=CC=C3)OC","PBNIYUVSTZBQSO-UHFFFAOYSA-N",387767,NA,"PDBC24614","681821","Present",NA,NA
+"24615","4-[(10,10-Dioxophenoxathiin-2-yl)amino]-3,6-dinitrochromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(10,10-Dioxidophenoxathiin-2-yl)amino]-3,6-dinitro-2h-chromen-2-one",NA,"C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)NC4=C(C(=O)OC5=C4C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","HJMSBOCNXLZVJY-UHFFFAOYSA-N",403319,NA,"PDBC24615","718025","Present",NA,NA
+"24616","4-[(10,10-Dioxophenoxathiin-2-yl)amino]-3-nitrochromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(10,10-Dioxidophenoxathiin-2-yl)amino]-3-nitro-2h-chromen-2-one",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC4=C(C=C3)OC5=CC=CC=C5S4(=O)=O","FHNGKTRIKMDAJO-UHFFFAOYSA-N",403318,NA,"PDBC24616","718024","Present",NA,NA
+"24617","4-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]morpholine",NA,"C1COCCN1C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","MTIBSOHZDJOFOS-WYMLVPIESA-N",1380407,NA,"PDBC24617","698370","Present",NA,NA
+"24618","4-[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]morpholine",NA,"C1COCCN1C(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","CLBVOUZCUNLNNN-VURMDHGXSA-N",3004948,NA,"PDBC24618","665088","Present",NA,NA
+"24619","4-[(1E,3E)-4-(4-Ethoxythiochromenylium-2-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(1E,3E)-4-(4-Ethoxythiochromenylium-2-yl)buta-1,3-dienyl]-N,N-dimethyl-aniline tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC24619","631073","Present",NA,NA
+"24620","4-[(1E,3E,5E)-6-(4-Bromophenyl)-1,2,3,4,5,6-hexafluorohexa-1,3,5-trienyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(1E,3E,5E)-6-(4-Bromophenyl)-1,2,3,4,5,6-hexafluorohexa-1,3,5-trienyl]-N,N-dimethylaniline",NA,"CN(C)C1=CC=C(C=C1)C(=C(C(=C(C(=C(C2=CC=C(C=C2)Br)F)F)F)F)F)F","DOEIIWUESIRGGI-HZDHKWBCSA-N",5470675,NA,"PDBC24620","704085","Present",NA,NA
+"24621","4-[(1S,3S,3Ar,6aS)-3,3a,6a-trihydroxy-2'-oxospiro[5,6-dihydro-4H-cyclopenta[c]furan-1,1'-cyclopentane]-3-yl]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(1S,3S,3Ar,6aS)-3,3a,6a-trihydroxy-2'-oxospiro[5,6-dihydro-4H-cyclopenta[c]furan-1,1'-cyclopentane]-3-yl]butanoic acid",NA,"C1CC(=O)C2(C1)C3(CCCC3(C(O2)(CCCC(=O)O)O)O)O","JDWHEOLBWSWHFS-TUVASFSCSA-N",398054,NA,"PDBC24621","707231","Present",NA,NA
+"24622","4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]-N-(1,5-dihydroxypentan-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]-N-(1,5-dihydroxypentan-2-yl)benzamide",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCCO)CO","JDUUTIHWTHNTIA-UHFFFAOYSA-N",393095,NA,"PDBC24622","694479","Present",NA,NA
+"24623","4-[(2,4-Diaminopyrimidin-5-yl)methyl-methyl-amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2,4-Diaminopyrimidin-5-yl)methyl-methylamino]benzoic acid;hydrobromide",NA,"CN(CC1=CN=C(N=C1N)N)C2=CC=C(C=C2)C(=O)O.Br","MKMPEIZCHMFFKL-UHFFFAOYSA-N",24190776,NA,"PDBC24623","114514","Present",NA,NA
+"24624","4-[(2,4-Dimethylphenyl)amino]naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-205/37066085",NA,"CC1=CC(=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32)C","ZAGDPSPINVOXCU-UHFFFAOYSA-N",272555,NA,"PDBC24624","117011","Present",NA,NA
+"24625","4-[(2,4-Dinitro-6-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2,4-Dinitro-6-sulfophenyl)diazenyl]-3-hydroxynaphthalene-2-carboxylic acid",NA,"C1=CC=C2C(=C1)C=C(C(=C2N=NC3=C(C=C(C=C3S(=O)(=O)O)[N+](=O)[O-])[N+](=O)[O-])O)C(=O)O","ZCGHMFIVQIMDSP-UHFFFAOYSA-N",253241,NA,"PDBC24625","75901","Present",NA,NA
+"24626","4-[(2,4-Dioxo-3-phenylquinazolin-1-yl)methyl]-N-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2,4-dioxo-3-phenyl-3,4-dihydroquinazolin-1(2H)-yl)me...",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C(=O)NO","HOYQQVSAAUUYMT-UHFFFAOYSA-N",150456820,NA,"PDBC24626","787279","Present",NA,NA
+"24627","4-[(2-Benzyl-4-oxopyrazolo[3,4-d][1,3]thiazin-6-yl)amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[2-(phenylmethyl)-4-oxo-4H-pyrazolo[3,4...",NA,"C1=CC=C(C=C1)CN2C=C3C(=N2)N=C(SC3=O)NC4=CC=C(C=C4)C(=O)O","DGPWUOVYCRMSPU-UHFFFAOYSA-N",375343,NA,"PDBC24627","654967","Present",NA,NA
+"24628","4-[(2-Bromoacetyl)amino]-N-carbamoylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-bromoacetamido-benzoylurea",NA,"C1=CC(=CC=C1C(=O)NC(=O)N)NC(=O)CBr","XDUGUDZPYJGHIT-UHFFFAOYSA-N",398527,NA,"PDBC24628","708442","Present",NA,NA
+"24629","4-[(2-Chlorophenyl)diazenyl]-5-ethoxy-3-phenylpyrazole-1-carbodithioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2-Chlorophenyl)diazenyl]-5-ethoxy-3-phenylpyrazole-1-carbodithioic acid",NA,"CCOC1=C(C(=NN1C(=S)S)C2=CC=CC=C2)N=NC3=CC=CC=C3Cl","ITALQPCUIJXJAA-UHFFFAOYSA-N",337720,NA,"PDBC24629","356648","Present",NA,NA
+"24630","4-[(2-Chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2-Chlorophenyl)methylsulfanyl]-6,7-dimethylpyrido[2,3-d]pyrimidin-2-amine",NA,"CC1=CC2=C(N=C1C)N=C(N=C2SCC3=CC=CC=C3Cl)N","IHYYXOQCBBWIHX-UHFFFAOYSA-N",243964,NA,"PDBC24630","54278","Present",NA,NA
+"24631","4-[(2-Hydroxy-3-methoxy-5-formylbenzylidene)amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2-Hydroxy-3-methoxy-5-formylbenzylidene)amino]benzenesulfonamide",NA,"COC1=CC(=CC(=C1O)C=NC2=CC=C(C=C2)S(=O)(=O)N)C=O","SVLYOGUNQVNAQA-UHFFFAOYSA-N",403368,NA,"PDBC24631","718161","Present",NA,NA
+"24632","4-[(2-Hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2-Hydroxyanilino)methylidene]cyclohexa-2,5-dien-1-one",NA,"C1=CC=C(C(=C1)N=CC2=CC=C(C=C2)O)O","KILNMRJUXROOCU-UHFFFAOYSA-N",345771,NA,"PDBC24632","403546","Present",NA,NA
+"24633","4-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methylamino]butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methylamino]butan-1-ol",NA,"COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CNCCCCO)OCO4","UQPBEFRUOBZHJO-UHFFFAOYSA-N",24205342,NA,"PDBC24633","735205","Present",NA,NA
+"24634","4-[(2-Naphthylsulfonyl)amino]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE55868",NA,"C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCC(=O)O","PKRVKIZPJPPOED-UHFFFAOYSA-N",362742,NA,"PDBC24634","626997","Present",NA,NA
+"24635","4-[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methyl]morpholine",NA,"C1COCCN1CC2=[N+](ON=C2C3=CC=CC=C3)[O-]","RVJGPWNJCQMLDQ-UHFFFAOYSA-N",390737,NA,"PDBC24635","688496","Present",NA,NA
+"24636","4-[(2-Oxoindol-3-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfanilamide, N4-(2-oxo-3-indolinylidene)-N1-2-thiazolyl-",NA,"C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4)C(=O)N2","IENXPWLDDAEWSQ-UHFFFAOYSA-N",135451596,NA,"PDBC24636","133073","Present",NA,NA
+"24637","4-[(2E)-2-Benzylidenehydrazino]-5-phenyl-5H-oxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2E)-2-Benzylidenehydrazino]-5-phenyl-5H-oxazol-2-one",NA,"C1=CC=C(C=C1)C=NN=C2C(OC(=O)N2)C3=CC=CC=C3","VFYSBVOGXBKZSI-GZTJUZNOSA-N",135493924,NA,"PDBC24637","682128","Present",NA,NA
+"24638","4-[(2E)-2-[(10-Chloroanthracen-9-yl)methylidene]hydrazinyl]-N-(4-chlorophenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2E)-2-[(10-Chloroanthracen-9-yl)methylidene]hydrazinyl]-N-(4-chlorophenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=NC(=O)N1)NN=CC2=C3C=CC=CC3=C(C4=CC=CC=C42)Cl)C(=O)NC5=CC=C(C=C5)Cl","XKKVLZGPWYBJQD-AMVVHIIESA-N",54602111,NA,"PDBC24638","671851","Present",NA,NA
+"24639","4-[(2E)-2-[(4-Chlorophenyl)methylidene]hydrazinyl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2E)-2-[(4-Chlorophenyl)methylidene]hydrazinyl]-N-(1,3-dihydroxy-2-methylpropan-2-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=NC(=O)N1)NN=CC2=CC=C(C=C2)Cl)C(=O)NC(C)(CO)CO","AKIHUJSVRKJHOX-FBCYGCLPSA-N",9556179,NA,"PDBC24639","671850","Present",NA,NA
+"24640","4-[(2R)-2-Hydroxy-2-[(2S)-2-hydroxy-3,5-dimethylcyclohexyl]ethyl]-1-methylpiperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{(2r)-2-Hydroxy-2-[(2s)-2-hydroxy-3,5-dimethylcyclohexyl]ethyl}-1-methylpiperidine-2,6-dione",NA,"CC1CC(C(C(C1)C(CC2CC(=O)N(C(=O)C2)C)O)O)C","RPDMMGDYKFBERB-AFWKKJRYSA-N",386125,NA,"PDBC24640","677757","Present",NA,NA
+"24641","4-[(2S)-2-[(1R,2S)-5-Tert-butyl-2-hydroxycyclohexyl]-2-hydroxyethyl]-1-phenylpiperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{(2s)-2-[(1r,2s)-5-Tert-butyl-2-hydroxycyclohexyl]-2-hydroxyethyl}-1-phenylpiperidine-2,6-dione",NA,"CC(C)(C)C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)O","MAYJEKMDSIJSLX-BTSWOQPFSA-N",386123,NA,"PDBC24641","677755","Present",NA,NA
+"24642","4-[(2S,3R)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2S,3R)-3-(Hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]phenol",NA,"C1=CC(=CC=C1C2C(C3=C(O2)C=CC(=C3)CCCO)CO)O","CHTIIECQJLRFQJ-FUHWJXTLSA-N",384681,NA,"PDBC24642","674911","Present",NA,NA
+"24643","4-[(2Z)-2-(5-Oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2Z)-2-(5-Oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,"C1CC(=O)OC1=CCOC2=CC(=O)OC3=CC=CC=C32","UNIIBMGMLNSWEH-YFHOEESVSA-N",24205379,NA,"PDBC24643","735331","Present",NA,NA
+"24644","4-[(2Z)-2-[(4-Chlorophenyl)methylidene]hydrazinyl]-2H-phthalazin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2Z)-2-[(4-Chlorophenyl)methylidene]hydrazinyl]-2H-phthalazin-1-one",NA,"C1=CC=C2C(=C1)C(=O)NN=C2NN=CC3=CC=C(C=C3)Cl","UCCFIDQIOVTJPG-MFOYZWKCSA-N",9572673,NA,"PDBC24644","724112","Present",NA,NA
+"24645","4-[(2Z)-2-[3-Butyl-4-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]hydrazinyl]-2H-phthalazin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2Z)-2-[3-Butyl-4-(4-chlorophenyl)-1,3-thiazolidin-2-ylidene]hydrazinyl]-2H-phthalazin-1-one",NA,"CCCCN1C(CSC1=NNC2=NNC(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl","LVCRBPPARDFEHP-QLYXXIJNSA-N",9572675,NA,"PDBC24645","724117","Present",NA,NA
+"24646","4-[(2Z)-2-[Amino(pyrazin-2-yl)methylidene]hydrazinyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(2Z)-2-[Amino(pyrazin-2-yl)methylidene]hydrazinyl]benzoic acid",NA,"C1=CC(=CC=C1C(=O)O)NN=C(C2=NC=CN=C2)N","XRNRPHOUMVXVSZ-UHFFFAOYSA-N",9572226,NA,"PDBC24646","709080","Present",NA,NA
+"24647","4-[(3,4,5-Trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3,4,5-Trimethoxyphenoxy)methyl]pyrrolo[1,2-a]quinoxaline",NA,"COC1=CC(=CC(=C1OC)OC)OCC2=NC3=CC=CC=C3N4C2=CC=C4","BEJCRZZFAIBPOP-UHFFFAOYSA-N",399540,NA,"PDBC24647","710404","Present",NA,NA
+"24648","4-[(3,4,5-Trimethoxyphenyl)methylsulfanyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JBTRUPZYRYLZFH-UHFFFAOYSA-N",NA,"COC1=CC(=CC(=C1OC)OC)CSC2=CC=C(C=C2)O","JBTRUPZYRYLZFH-UHFFFAOYSA-N",384136,NA,"PDBC24648","673423","Present",NA,NA
+"24649","4-[(3,4,5-Trimethoxyphenyl)methylsulfinyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VXIHXSAKWFINBO-UHFFFAOYSA-N",NA,"COC1=CC(=CC(=C1OC)OC)CS(=O)C2=CC=C(C=C2)O","VXIHXSAKWFINBO-UHFFFAOYSA-N",384137,NA,"PDBC24649","673424","Present",NA,NA
+"24650","4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide",NA,"CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=CC(=O)C(=O)C4=CC=CC=C43","BVNJUTIYJPUMGH-UHFFFAOYSA-N",369837,NA,"PDBC24650","642034","Present",NA,NA
+"24651","4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-1,3-thiazol-2-ylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-1,3-thiazol-2-ylbenzenesulfonamide",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CS4","ZVYPGYFZNKUQNJ-UHFFFAOYSA-N",372904,NA,"PDBC24651","648616","Present",NA,NA
+"24652","4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]-N-pyrimidin-2-ylbenzenesulfonamide",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4","GUYVGEWCKMLWDM-UHFFFAOYSA-N",367782,NA,"PDBC24652","637723","Present",NA,NA
+"24653","4-[(3,5-Diethyl-1,2,4-triazol-4-yl)amino]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3,5-Diethyl-1,2,4-triazol-4-yl)amino]butanoic acid",NA,"CCC1=NN=C(N1NCCCC(=O)O)CC","PFRUWDLGGTZQSH-UHFFFAOYSA-N",390152,NA,"PDBC24653","687220","Present",NA,NA
+"24654","4-[(3,5-Dimethoxy-benzylidene)-amino]-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3,5-Dimethoxy-benzylidene)-amino]-benzenesulfonamide",NA,"COC1=CC(=CC(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N)OC","RFNXRHDARWEVTJ-UHFFFAOYSA-N",404320,NA,"PDBC24654","720515","Present",NA,NA
+"24655","4-[(3,6-Dioxocyclohexa-1,4-dien-1-yl)methylamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 4-[[(3,6-dioxo-1,4-cyclohexadienyl)-methyl] a...",NA,"C1=CC(=CC=C1C(=O)N)NCC2=CC(=O)C=CC2=O","WAAWKHMHFXKOIA-UHFFFAOYSA-N",386915,NA,"PDBC24655","679817","Present",NA,NA
+"24656","4-[(3-Amino-2-phenylquinoxalin-6-yl)methoxy]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Amino-2-phenylquinoxalin-6-yl)methoxy]benzoic acid",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)COC4=CC=C(C=C4)C(=O)O)N=C2N","VUVLVEQZLCRMKA-UHFFFAOYSA-N",379477,NA,"PDBC24656","664031","Present",NA,NA
+"24657","4-[(3-Carboxy-4-hydroxy-1-naphthyl)(oxo)acetyl]-1-hydroxy-2-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-bis(3-carboxy-4-hydroxy-naphthalen-1-yl)ethane-1,2-d...",NA,"C1=CC=C2C(=C1)C(=CC(=C2O)C(=O)O)C(=O)C(=O)C3=CC(=C(C4=CC=CC=C43)O)C(=O)O","BRCWHTNRFUVIQT-UHFFFAOYSA-N",324974,NA,"PDBC24657","292213","Present",NA,NA
+"24658","4-[(3-Chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Chloro-2-hydroxypropyl)amino]-1H-benzo[cd]indol-2-one",NA,"C1=CC2=CC(=CC3=C2C(=C1)NC3=O)NCC(CCl)O","WTYWMEUECKNSJY-UHFFFAOYSA-N",356124,NA,"PDBC24658","611216","Present",NA,NA
+"24659","4-[(3-Chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-1-methyl-piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)sulfanyl]-1-methyl-piperidine",NA,"CN1CCC(CC1)SC2CC3=C(C=CC(=C3)Cl)SC4=CC=CC=C24","JZNJGOKDPVHBAX-UHFFFAOYSA-N",366669,NA,"PDBC24659","635365","Present",NA,NA
+"24660","4-[(3-Chloro-5-methylacridin-9-yl)amino]-2-(diethylaminomethyl)phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Chloro-5-methylacridin-9-yl)amino]-2-(diethylaminomethyl)phenol;hydrochloride",NA,"CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC4=C(C=CC=C42)C)Cl)O.Cl","XNPGZYBBORZOSS-UHFFFAOYSA-N",24184094,NA,"PDBC24660","32941","Present",NA,NA
+"24661","4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Chlorofuro[2,3-b]quinolin-4-yl)amino]phenol",NA,"C1=CC=C2C(=C1)C(=C3C(=COC3=N2)Cl)NC4=CC=C(C=C4)O","JVSYXUIPLMUBKE-UHFFFAOYSA-N",24203390,NA,"PDBC24661","727798","Present",NA,NA
+"24662","4-[(3-Chlorophenyl)iminomethyl]-N,N-bis(3-chloropropyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Chlorophenyl)iminomethyl]-N,N-bis(3-chloropropyl)aniline",NA,"C1=CC(=CC(=C1)Cl)N=CC2=CC=C(C=C2)N(CCCCl)CCCCl.Cl","ADOKPIXPXIWSKR-UHFFFAOYSA-N",24193638,NA,"PDBC24662","154894","Present",NA,NA
+"24663","4-[(3-Cyclohexylpropanoylamino)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3-Cyclohexylpropanamido)methyl]benzoic acid",NA,"C1CCC(CC1)CCC(=O)NCC2=CC=C(C=C2)C(=O)O","HSJYVIPEBQLROH-UHFFFAOYSA-N",396317,NA,"PDBC24663","702107","Present",NA,NA
+"24664","4-[(3S,5R,8R,10S,13R,14S,17R)-3-Acetyloxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3S,5R,8R,10S,13R,14S,17R)-3-Acetyloxy-4,4,10,13,14-pentamethyl-11-oxo-1,2,3,5,6,7,8,9,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid",NA,"CC(CCC(=O)O)C1CCC2(C1(CC(=O)C3C2CCC4C3(CCC(C4(C)C)OC(=O)C)C)C)C","NCFTZXFNLDZVGA-WLYNGDKYSA-N",24204293,NA,"PDBC24664","731279","Present",NA,NA
+"24665","4-[(3Z)-4,8-Dimethylnona-3,7-dienyl]-4-methyl-3-oxabicyclo[3.1.0]hexan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679272///NSC679273",NA,"CC(=CCCC(=CCCC1(C2CC2C(=O)O1)C)C)C","OFZWRXHQZSEPAU-LCYFTJDESA-N",54598757,NA,"PDBC24665","679272///679273","Present",NA,NA
+"24666","4-[(3Z)-4-Chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(3Z)-4-Chloro-1-morpholin-4-yl-2,4-dinitrobuta-1,3-dienyl]morpholine",NA,"C1COCCN1C(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])N2CCOCC2","WYHRUYFCMWYDBZ-PKNBQFBNSA-N",1423778,NA,"PDBC24666","665094","Present",NA,NA
+"24667","4-[(4,7-Difluoro-2-methyl-1H-indol-5-yl)oxy]-6-[4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]anilino]pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((4,7-difluoro-2-methyl-1H-indol-5-yl)oxy)-6-((4-((3S,...",NA,"CC1CN(CC(N1)C)C2=CC=C(C=C2)NC3=C(C(=NC=N3)OC4=CC(=C5C(=C4F)C=C(N5)C)F)C#N","CUIQXTHSRPQJTD-IYBDPMFKSA-N",135278550,NA,"PDBC24667","788436","Present",NA,NA
+"24668","4-[(4-Allyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Allyl-piperazin-1-yl)-(3-methoxy-phenyl)-methyl]-N,N-diethyl-benzamide",NA,"CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CCN(CC3)CC=C","BYUQJNUSTSPWIV-UHFFFAOYSA-N",398115,NA,"PDBC24668","707481","Present",NA,NA
+"24669","4-[(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl)methyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-isoindolin-2-yl)methyl]benzenesulfonamide",NA,"CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)CC3=CC=C(C=C3)S(=O)(=O)N)C","ZTMVDRLFXGUJLE-UHFFFAOYSA-N",393960,NA,"PDBC24669","697032","Present",NA,NA
+"24670","4-[(4-Aminophenoxy)methyl]-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Aminophenoxy)methyl]-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)COC3=CC=C(C=C3)N","XYFRDBLEBBXYEE-UHFFFAOYSA-N",393952,NA,"PDBC24670","696924","Present",NA,NA
+"24671","4-[(4-Bromophenyl)diazenyl]benzene-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Bromophenyl)diazenyl]benzene-1,3-diol",NA,"C1=CC(=CC=C1N=NC2=C(C=C(C=C2)O)O)Br","JXDXGMHMDHIKCO-UHFFFAOYSA-N",345174,NA,"PDBC24671","402590","Present",NA,NA
+"24672","4-[(4-Carbamimidoylphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Carbamimidoylphenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide;hydrochloride",NA,"C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=N)N.Cl","NFCJIVVKCRXVPH-UHFFFAOYSA-N",135502362,NA,"PDBC24672","359466","Present",NA,NA
+"24673","4-[(4-Carboxyphenyl)-dimethylsilyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-0110935",NA,"C[Si](C)(C1=CC=C(C=C1)C(=O)O)C2=CC=C(C=C2)C(=O)O","FWPQAYDKDSTZHK-UHFFFAOYSA-N",301653,NA,"PDBC24673","179703","Present",NA,NA
+"24674","4-[(4-Chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide",NA,"C1=CC(=CC=C1CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)Cl","FHZADBSEPBDCSW-MDZDMXLPSA-N",24204720,NA,"PDBC24674","732548","Present",NA,NA
+"24675","4-[(4-Chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Chlorophenyl)methyl-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid",NA,"C1=CC(=CC=C1CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)C(=O)O)Cl","ZRXOORNRDVFGLQ-MDZDMXLPSA-N",24204721,NA,"PDBC24675","732549","Present",NA,NA
+"24676","4-[(4-Ethoxyphenyl)methylene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Ethoxyphenyl)methylene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one",NA,"CCOC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]","GSYGLLMVINPLGH-WJDWOHSUSA-N",695910,NA,"PDBC24676","201767","Present",NA,NA
+"24677","4-[(4-Hydroxyphenyl)methyl]-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Hydroxyphenyl)methyl]-1-oxa-3-aza-2$l^{2}-iridacyclopentan-5-one; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC24677","658197","Present",NA,NA
+"24678","4-[(4-Isopropylphenyl)methylene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Isopropylphenyl)methylene]-2-(4-nitrophenyl)-1,3-oxazol-5(4H)-one",NA,"CC(C)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]","DHPVSMDXZJHILI-BOPFTXTBSA-N",695850,NA,"PDBC24678","201917","Present",NA,NA
+"24679","4-[(4-Methylidene-5-oxo-2-phenyloxolan-2-yl)methoxy]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-2-one, 4-[(tetrahydro-4-methylene- 5-oxo...",NA,"C=C1CC(OC1=O)(COC2=CC(=O)OC3=CC=CC=C32)C4=CC=CC=C4","ATSWSVKABBOUBT-UHFFFAOYSA-N",381514,NA,"PDBC24679","668270","Present",NA,NA
+"24680","4-[(4-Methylphenyl)sulfonylcarbamoylamino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(p-Tolylsulfonylcarbamoylamino)benzoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=CC=C(C=C2)C(=O)O","OEUJMOSAGXAINH-UHFFFAOYSA-N",396483,NA,"PDBC24680","702667","Present",NA,NA
+"24681","4-[(4-Nitrophenyl)methylsulfanyl]-3H-imidazo[4,5-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Nitrophenyl)methylsulfanyl]-3H-imidazo[4,5-d]pyridazine",NA,"C1=CC(=CC=C1CSC2=C3C(=CN=N2)NC=N3)[N+](=O)[O-]","NQAHVUDMSWMPDE-UHFFFAOYSA-N",5466430,NA,"PDBC24681","690580","Present",NA,NA
+"24682","4-[(4-Sulfamoyl-phenylimino)-methyl]-benzoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4-Sulfamoyl-phenylimino)-methyl]-benzoic acid methyl...",NA,"COC(=O)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)S(=O)(=O)N","YZEOAYHOGOIEAH-UHFFFAOYSA-N",404376,NA,"PDBC24682","720587","Present",NA,NA
+"24683","4-[(4E)-4-[(3,4-Dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4E)-4-[(3,4-Dimethoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC(=C(C=C4)OC)OC)C3=O)C5=CC=CC=C5","UDFWGAOIMDOYHH-HAVVHWLPSA-N",45028017,NA,"PDBC24683","740616","Present",NA,NA
+"24684","4-[(4E)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-3-sulfanylidene-2H-1,2,4-triazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4E)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-3-sulfanylidene-2H-1,2,4-triazin-5-one",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2N4C(=O)C=NNC4=S","XAHCRHYSFSKLJK-XNTDXEJSSA-N",5471340,NA,"PDBC24684","710587","Present",NA,NA
+"24685","4-[(4E)-4-[(4-Hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4E)-4-[(4-Hydroxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=C(C=C4)O)C3=O)C5=CC=CC=C5","GEBKYRLSGCJTAL-HAVVHWLPSA-N",45028014,NA,"PDBC24685","740612","Present",NA,NA
+"24686","4-[(4Z)-4-(Furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4Z)-4-(Furan-2-ylmethylidene)-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CO3)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","SNPCXTCFGZFRLT-HKWRFOASSA-N",5472418,NA,"PDBC24686","718653","Present",NA,NA
+"24687","4-[(4Z)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4Z)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=C(C=C4)Cl)C3=O)C5=CC=CC=C5","YLMIJMQLANERLO-QJOMJCCJSA-N",5472419,NA,"PDBC24687","718654","Present",NA,NA
+"24688","4-[(4Z)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4Z)-4-[(4-Chlorophenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","AIJYZGNYBPFQQG-JWGURIENSA-N",5472415,NA,"PDBC24688","718650","Present",NA,NA
+"24689","4-[(4Z)-4-[(4-Hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4Z)-4-[(4-Hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,"COC1=C(C=CC(=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5)O","OVFDDSJNXMSNMR-QNGOZBTKSA-N",5472417,NA,"PDBC24689","718652","Present",NA,NA
+"24690","4-[(4Z)-4-[(5-Nitrofuran-2-yl)methylidene]-3,5-dioxopyrazolidin-1-yl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[(5-Nitro-2-furanyl)methylene]-3,5-dioxo-1-pyrazoli...",NA,"C1=CC(=CC=C1C(=O)O)N2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)N2","IBJLHXSMGYPHOL-XFFZJAGNSA-N",96892468,NA,"PDBC24690","754673","Present",NA,NA
+"24691","4-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]-2-methyl-phenyl]methylene]-5-oxo-2-[(E)-styryl]imidazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]methylidene]-5-oxo-2-[(E)-2-phenylethenyl]imidazol-1-yl]benzenesulfonamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)N","OGQPJIGUPZYTLI-FTMGPJKFSA-N",6477348,NA,"PDBC24691","645681","Present",NA,NA
+"24692","4-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]benzoic acid",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2C4=CC=C(C=C4)C(=O)O","JXZMFFWUFBCJMH-QOMWVZHYSA-N",5469994,NA,"PDBC24692","695306","Present",NA,NA
+"24693","4-[(4Z)-5-Oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4Z)-5-Oxo-2-phenyl-4-[(E)-3-phenylprop-2-enylidene]imidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,"C1=CC=C(C=C1)C=CC=C2C(=O)N(C(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","IQNUTSKHJKAKBB-OBJYXWAWSA-N",5472416,NA,"PDBC24693","718651","Present",NA,NA
+"24694","4-[(4Z)-5-Oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(4Z)-5-Oxo-4-[(4-phenoxyphenyl)methylidene]-2-phenylimidazol-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)OC4=CC=CC=C4)C(=O)N2C5=CC=C(C=C5)S(=O)(=O)NC6=NC=CS6","HFIQRJWLGOLTAU-HFTWOUSFSA-N",5472414,NA,"PDBC24694","718649","Present",NA,NA
+"24695","4-[(5,6-Dichloro-1H-benzimidazol-2-yl)methylamino]benzoic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(5,6-Dichloro-1H-benzimidazol-2-yl)methylamino]benzoic acid;hydrochloride",NA,"C1=CC(=CC=C1C(=O)O)NCC2=NC3=CC(=C(C=C3N2)Cl)Cl.Cl","ROIVUENVOLNBNN-UHFFFAOYSA-N",24187152,NA,"PDBC24695","60044","Present",NA,NA
+"24696","4-[(5-Hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-10-yl)diazenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(5-Hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromen-10-yl)diazenyl]benzenesulfonamide",NA,"CC1(CCC2=C(C3=CC=CC=C3C(=C2O1)N=NC4=CC=C(C=C4)S(=O)(=O)N)O)C","ITJZUOMWMXOYNN-UHFFFAOYSA-N",402605,NA,"PDBC24696","716761","Present",NA,NA
+"24697","4-[(5-Methyl-1,2-oxazol-3-yl)amino]naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalen-1(4H)-one, 2-hydroxy-4-[(5-methyl-3-isoxazoly...",NA,"CC1=CC(=NO1)NC2=CC(=O)C(=O)C3=CC=CC=C32","IFSUAZMMRGKLIC-UHFFFAOYSA-N",384243,NA,"PDBC24697","673784","Present",NA,NA
+"24698","4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(5-Methyl-1,2-oxazol-4-yl)amino]naphthalene-1,2-dione",NA,"CC1=C(C=NO1)NC2=CC(=O)C(=O)C3=CC=CC=C32","FOOWZVXRYSYDHR-UHFFFAOYSA-N",178500,NA,"PDBC24698","673786","Present",NA,NA
+"24699","4-[(5-Nitro-1-benzothiophen-2-yl)methylideneamino]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{[(1e)-(5-Nitro-1-benzothiophen-2-yl)methylidene]amino}phenol",NA,"C1=CC(=CC=C1N=CC2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])O","JYBNILWEFNWMBG-UHFFFAOYSA-N",400282,NA,"PDBC24699","711816","Present",NA,NA
+"24700","4-[(5-Nitro-2-furyl)methylene]-1,1-dioxo-1,2,6-thiadiazine-3,5-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(5-Nitrofuran-2-yl)methylidene]-4H-1,2,6-thiadiazine-3,5-diamine 1,1-dioxide",NA,"C1=C(OC(=C1)[N+](=O)[O-])C=C2C(=NS(=O)(=O)N=C2N)N","XEORIUZUCHZWMP-UHFFFAOYSA-N",373938,NA,"PDBC24700","650967","Present",NA,NA
+"24701","4-[(5-Nitro-2-furyl)methylene]-2,6-bis(2-phenylethyl)-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(5-Nitro-2-furyl)methylene]-2,6-bis(2-phenylethyl)-1,2,6-thiadiazinane-3,5-dione 1,1-dioxide",NA,"C1=CC=C(C=C1)CCN2C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])C(=O)N(S2(=O)=O)CCC4=CC=CC=C4","FPLJCWQCNWYLDZ-UHFFFAOYSA-N",373939,NA,"PDBC24701","650968","Present",NA,NA
+"24702","4-[(5S)-3-(4-Chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl]-1,3-diphenylpyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-5-yl)-1,3-d...",NA,"C1C(NN=C1C2=CC=C(C=C2)Cl)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5","SRUCQZVGORLACY-QHCPKHFHSA-N",155812961,NA,"PDBC24702","757935","Present",NA,NA
+"24703","4-[(5S,7S,8R,10S,13R,17R)-3,7-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methylpentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"23-Methyl-ursodeoxycholic acid (.alpha.+.beta.)",NA,"CC(CC(C)C(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C","XMIXAXLPZCFFCG-WSAKNZEVSA-N",376836,NA,"PDBC24703","657954","Present",NA,NA
+"24704","4-[(5S,8Ar)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(5S,8Ar)-5-(4-fluoroanilino)-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol",NA,"COC1=CC(=CC(=C1O)OC)C2C3COCC3C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F","VLPHGXXQYKICOE-RDHLJCLJSA-N",378224,NA,"PDBC24704","660027","Present",NA,NA
+"24705","4-[(5S,8Ar)-5-anilino-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(5S,8Ar)-5-anilino-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol",NA,"COC1=CC(=CC(=C1O)OC)C2C3COCC3C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC=C6","BMJWRZLUIIQSKY-RDHLJCLJSA-N",378225,NA,"PDBC24705","660028","Present",NA,NA
+"24706","4-[(5S,8R,8Ar)-5-anilino-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(5S,8R,8Ar)-5-anilino-8-methoxy-5,5a,6,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2,6-dimethoxyphenol",NA,"COC1C2C(CO1)C(C3=CC4=C(C=C3C2C5=CC(=C(C(=C5)OC)O)OC)OCO4)NC6=CC=CC=C6","SYASBYQWDNGWKR-NEZYKZEESA-N",378223,NA,"PDBC24706","660026","Present",NA,NA
+"24707","4-[(6-Aminoquinoxalin-2-yl)amino]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(6-Aminoquinoxalin-2-yl)amino]benzonitrile",NA,"C1=CC(=CC=C1C#N)NC2=CN=C3C=C(C=CC3=N2)N","MPMODVQXPSSCAI-UHFFFAOYSA-N",374825,NA,"PDBC24707","653248","Present",NA,NA
+"24708","4-[(6-Chloro-2-methoxyacridin-9-yl)amino]-5-methyl-2-propan-2-ylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(6-Chloro-2-methoxyacridin-9-yl)amino]-5-methyl-2-propan-2-ylphenol",NA,"CC1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)C(C)C)O","MIOFGYQKSYDPBN-UHFFFAOYSA-N",224524,NA,"PDBC24708","13051","Present",NA,NA
+"24709","4-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrrolo[1,2-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(6-Chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyrrolo[1,2-a]quinoxaline",NA,"C1C2=C(C(=CC(=C2)Cl)CSC3=NC4=CC=CC=C4N5C3=CC=C5)OCO1","GFEARZNFPWFVSH-UHFFFAOYSA-N",331156,NA,"PDBC24709","321491","Present",NA,NA
+"24710","4-[(6-Cyclopentyloxypyrimidin-4-yl)amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((6-(cyclopentyloxy)pyrimidin-4-yl)amino)-N-(4-((4-met...",NA,"CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=CC(=NC=N4)OC5CCCC5","JMAXSZVKSRAYET-UHFFFAOYSA-N",155817097,NA,"PDBC24710","799654","Present",NA,NA
+"24711","4-[(6-Nitroquinolin-4-yl)amino]-N-[4-(pyridin-4-ylamino)phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(6-nitroquinolin-4-ylamino)-N-(4-(pyridin-4-yl-amino)p...",NA,"C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC3=CC=NC=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-]","KUBNLSZSAIOAMS-UHFFFAOYSA-N",4532204,NA,"PDBC24711","146771","Present",NA,NA
+"24712","4-[(6-Phenoxypyrimidin-4-yl)amino]-N-(4-piperazin-1-ylphenyl)-1H-pyrazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((6-phenoxypyrimidin-4-yl)amino)-N-(4-(piperazin-1-yl)...",NA,"C1CN(CCN1)C2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=CC(=NC=N4)OC5=CC=CC=C5","RSZBDSJQRIEBFQ-UHFFFAOYSA-N",151772999,NA,"PDBC24712","799653","Present",NA,NA
+"24713","4-[(7-Aminoquinoxalin-2-yl)amino]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-aminoquinoxalin-2-ylamino)benzonitrile",NA,"C1=CC(=CC=C1C#N)NC2=CN=C3C=CC(=CC3=N2)N","LXUWASPZBKPTKB-UHFFFAOYSA-N",374827,NA,"PDBC24713","653250","Present",NA,NA
+"24714","4-[(7-Chloroquinolin-4-yl)amino]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(7-Chloroquinolin-4-yl)amino]benzenesulfonic acid",NA,"C1=CC(=CC=C1NC2=C3C=CC(=CC3=NC=C2)Cl)S(=O)(=O)O","SJQXBEPEPCAVEI-UHFFFAOYSA-N",388376,NA,"PDBC24714","683268","Present",NA,NA
+"24715","4-[(8-Hydroxy-5-sulfoquinolin-7-yl)azo]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(8-Hydroxy-5-sulfoquinolin-7-yl)azo]benzoic acid",NA,"C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC=C(C=C3)C(=O)O)S(=O)(=O)O","LUWSVZRGAVETOB-UHFFFAOYSA-N",364700,NA,"PDBC24715","631352","Present",NA,NA
+"24716","4-[(8-Hydroxyquinolin-5-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(8-Hydroxyquinolin-5-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide",NA,"C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C4C=CC=NC4=C(C=C3)O","IOROHHFNXSCMPV-UHFFFAOYSA-N",419383,NA,"PDBC24716","114384","Present",NA,NA
+"24717","4-[(8-Hydroxyquinolin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(8-Hydroxyquinolin-5-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide",NA,"C1=CC2=C(C=CC(=C2N=C1)O)N=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4","HFVBFGGESMZQHZ-UHFFFAOYSA-N",419384,NA,"PDBC24717","114385","Present",NA,NA
+"24718","4-[(8-Methoxy-2-phenylquinolin-4-yl)amino]-N-(2-piperazin-1-ylethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(8-Methoxy-2-phenylquinolin-4-yl)amino]-N-(2-piperazin-1-ylethyl)benzamide",NA,"COC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)C(=O)NCCN4CCNCC4)C5=CC=CC=C5","FEDWUZRPVGODCQ-UHFFFAOYSA-N",24205375,NA,"PDBC24718","735326","Present",NA,NA
+"24719","4-[(8-Methoxy-2-phenylquinolin-4-yl)amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(8-Methoxy-2-phenylquinolin-4-yl)amino]benzoic acid",NA,"COC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4","WRSZSPXDPKORAC-UHFFFAOYSA-N",24205368,NA,"PDBC24719","735319","Present",NA,NA
+"24720","4-[(Aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Aminocarbonyl)amino]-N-[4-(aminosulfonyl)phenyl]benzenesulfonamide",NA,"C1=CC(=CC=C1NC(=O)N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N","DNJKYTRZNPUEST-UHFFFAOYSA-N",397555,NA,"PDBC24720","705875","Present",NA,NA
+"24721","4-[(Carboxymethyl)amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(p-Carboxyphenyl)glycine",NA,"C1=CC(=CC=C1C(=O)O)NCC(=O)O","YJEYSNOXMPDLJC-UHFFFAOYSA-N",225483,NA,"PDBC24721","14973","Present",NA,NA
+"24722","4-[(E)-(2,4-Dimethoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(2,4-Dimethoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=C(C=C(C=C2)OC)OC","FKKGRLADIIPGRK-NTUHNPAUSA-N",9556358,NA,"PDBC24722","698067","Present",NA,NA
+"24723","4-[(E)-(2,4-Dimethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(2,4-Dimethoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,"COC1=CC(=C(C=C1)C=NN2C(=NNC2=O)C3=CC=CC=C3)OC","IYGJFPUEAFSDHZ-WOJGMQOQSA-N",9556391,NA,"PDBC24723","702399","Present",NA,NA
+"24724","4-[(E)-(2-Chlorophenyl)methyleneamino]-3-ethyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(2-Chlorophenyl)methyleneamino]-3-ethyl-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1N=CC2=CC=CC=C2Cl","WVODHJCZZFEZTR-NTUHNPAUSA-N",9574950,NA,"PDBC24724","680862","Present",NA,NA
+"24725","4-[(E)-(2-Chlorophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(2-Chlorophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CC=C3Cl","ZLNCGJPMHDQXFM-LICLKQGHSA-N",9556310,NA,"PDBC24725","690625","Present",NA,NA
+"24726","4-[(E)-(2-Hydroxy-1-naphthyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(2-Hydroxy-1-naphthyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=C(C=CC4=CC=CC=C43)O","DURPQMOKNMDKQS-UDWIEESQSA-N",135505141,NA,"PDBC24726","687210","Present",NA,NA
+"24727","4-[(E)-(2-Hydroxyphenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(2-Hydroxyphenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CC=C3O","WKTJNNKHTHFTNL-MHWRWJLKSA-N",135509211,NA,"PDBC24727","681537","Present",NA,NA
+"24728","4-[(E)-(3-Chlorophenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(3-Chlorophenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC(=CC=C2)Cl","HQPVWVDYFVWSJB-WUXMJOGZSA-N",9556361,NA,"PDBC24728","698070","Present",NA,NA
+"24729","4-[(E)-(3-Methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(3-Methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC(=CC=C2)OC","HEDIVCVIXASBMN-KPKJPENVSA-N",9556354,NA,"PDBC24729","698063","Present",NA,NA
+"24730","4-[(E)-(3-Methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(3-Methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,"COC1=CC=CC(=C1)C=NN2C(=NNC2=O)C3=CC=CC=C3","IVRXAQCQOLODLF-GZTJUZNOSA-N",9556357,NA,"PDBC24730","698066","Present",NA,NA
+"24731","4-[(E)-(3-Nitrophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(3-Nitrophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC(=CC=C3)[N+](=O)[O-]","XVMFAKSSFRPUQJ-MHWRWJLKSA-N",9556308,NA,"PDBC24731","690623","Present",NA,NA
+"24732","4-[(E)-(4-Chlorophenyl)methylideneamino]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(4-Chlorophenyl)methylideneamino]-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1H-1,2,4-triazole-5-thione",NA,"C1CCC2=C(C1)C=CC(=C2)OCC3=NNC(=S)N3N=CC4=CC=C(C=C4)Cl","YXOFVGRHMUFYMG-WSDLNYQXSA-N",9572476,NA,"PDBC24732","717217","Present",NA,NA
+"24733","4-[(E)-(4-Chlorophenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(4-Chlorophenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC=C(C=C2)Cl","DGYLCIZIXXLHRU-WUXMJOGZSA-N",9601321,NA,"PDBC24733","698071","Present",NA,NA
+"24734","4-[(E)-(4-Fluoro-3-phenoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(4-Fluoro-3-phenoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione",NA,"CC1=NNC(=S)N1N=CC2=CC(=C(C=C2)F)OC3=CC=CC=C3","PNKKFMQHQVFVGF-VCHYOVAHSA-N",24202928,NA,"PDBC24734","726305","Present",NA,NA
+"24735","4-[(E)-(4-Fluorophenyl)methylideneamino]-5-methyl-2-[[2-(trifluoromethyl)anilino]methyl]-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(4-Fluorophenyl)methylideneamino]-5-methyl-2-[[2-(trifluoromethyl)anilino]methyl]-1,2,4-triazole-3-thione",NA,"CC1=NN(C(=S)N1N=CC2=CC=C(C=C2)F)CNC3=CC=CC=C3C(F)(F)F","NBKPUVQVAUDMAX-YSURURNPSA-N",24205543,NA,"PDBC24735","736142","Present",NA,NA
+"24736","4-[(E)-(4-Methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(4-Methoxyphenyl)methylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC=C(C=C2)OC","SJZJJWDBNVEBNT-KPKJPENVSA-N",9556350,NA,"PDBC24736","698059","Present",NA,NA
+"24737","4-[(E)-(4-Methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(4-Methoxyphenyl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,"COC1=CC=C(C=C1)C=NN2C(=NNC2=O)C3=CC=CC=C3","LQZCGSXYNOUBDX-GZTJUZNOSA-N",9556353,NA,"PDBC24737","698062","Present",NA,NA
+"24738","4-[(E)-(4-Nitrophenyl)methyleneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,2,4-Triazole-5(4H)-one, 4-[[(4-nitrophenyl)methylen...",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=C(C=C3)[N+](=O)[O-]","FXOUZPHNQHTBME-MHWRWJLKSA-N",9571512,NA,"PDBC24738","675223","Present",NA,NA
+"24739","4-[(E)-(5-Methyl-2-phenylpyrazol-3-yl)iminomethyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(5-Methyl-2-phenylpyrazol-3-yl)iminomethyl]benzonitrile",NA,"CC1=NN(C(=C1)N=CC2=CC=C(C=C2)C#N)C3=CC=CC=C3","RXNYOUNWRDDFQI-DEDYPNTBSA-N",9572414,NA,"PDBC24739","715230","Present",NA,NA
+"24740","4-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3-[2-[4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3-[2-[4-[(E)-(5-nitrofuran-2-yl)methylideneamino]-5-sulfanylidene-1H-1,2,4-triazol-3-yl]ethyl]-1H-1,2,4-triazole-5-thione",NA,"C1=C(OC(=C1)[N+](=O)[O-])C=NN2C(=NNC2=S)CCC3=NNC(=S)N3N=CC4=CC=C(O4)[N+](=O)[O-]","RRAUTPVCLVWGGX-ZEELXFFVSA-N",9572371,NA,"PDBC24740","713330","Present",NA,NA
+"24741","4-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=C(O3)[N+](=O)[O-]","CCBCFFSRPUCXIV-RIYZIHGNSA-N",9556349,NA,"PDBC24741","698058","Present",NA,NA
+"24742","4-[(E)-(9-Ethylcarbazol-3-yl)azo]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(9-Ethylcarbazol-3-yl)azo]benzonitrile",NA,"CCN1C2=C(C=C(C=C2)N=NC3=CC=C(C=C3)C#N)C4=CC=CC=C41","TUUFSFXGKKPFKX-UHFFFAOYSA-N",394667,NA,"PDBC24742","698269","Present",NA,NA
+"24743","4-[(E)-(Carbamothioylhydrazinylidene)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-olate;iron(3+);sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-(Carbamothioylhydrazinylidene)methyl]-5-(hydroxymethyl)-2-methylpyridin-3-olate;iron(3+);sulfate",NA,NA,NA,NA,NA,"PDBC24743","613665","Present",NA,NA
+"24744","4-[(E)-1-[4-[2-(Diethylamino)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[({E})-1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-metho...",NA,"CCN(CC)CCOC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)O","WPCIWEQOZYXWLZ-QUPMIFSKSA-N",155808616,NA,"PDBC24744","798076","Present",NA,NA
+"24745","4-[(E)-1H-Indol-3-ylmethylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-1H-Indol-3-ylmethylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CNC3=CC=CC=C32","QAPDAVXOXYLHEP-VGOFMYFVSA-N",135505167,NA,"PDBC24745","698073","Present",NA,NA
+"24746","4-[(E)-1H-Indol-3-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-1H-Indol-3-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CNC4=CC=CC=C43","JZWDHVPFMLTADC-YBFXNURJSA-N",135505175,NA,"PDBC24746","702403","Present",NA,NA
+"24747","4-[(E)-1H-Indol-3-ylmethylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-1H-Indol-3-ylmethylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one",NA,"C1=CC=C2C(=C1)C(=CN2)C=NN3C(=O)C=NNC3=S","XJFQGWBNMVUWLL-GIDUJCDVSA-N",135436157,NA,"PDBC24747","710582","Present",NA,NA
+"24748","4-[(E)-2-(2,3-Dimethoxyphenyl)ethenyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(2,3-Dimethoxyphenyl)ethenyl]quinoline",NA,"COC1=CC=CC(=C1OC)C=CC2=CC=NC3=CC=CC=C23","ZYGZOGZGBVGFHD-ZHACJKMWSA-N",5830089,NA,"PDBC24748","69601","Present",NA,NA
+"24749","4-[(E)-2-(2,4,5-Trimethoxyphenyl)ethenyl]cinnoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(2,4,5-Trimethoxyphenyl)ethenyl]cinnoline",NA,"COC1=CC(=C(C=C1C=CC2=CN=NC3=CC=CC=C32)OC)OC","UILDSNNHGJAGEF-CMDGGOBGSA-N",6413258,NA,"PDBC24749","186946","Present",NA,NA
+"24750","4-[(E)-2-(2,5-Dimethoxyphenyl)vinyl]cinnoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cinnoline, 4-[2-(2,5-dimethoxyphenyl)ethenyl]-",NA,"COC1=CC(=C(C=C1)OC)C=CC2=CN=NC3=CC=CC=C32","VKBHPOSMLJQUEV-BQYQJAHWSA-N",6412590,NA,"PDBC24750","166682","Present",NA,NA
+"24751","4-[(E)-2-(2-Chlorophenyl)ethenyl]-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(2-Chlorophenyl)ethenyl]-1,3-thiazole",NA,"C1=CC=C(C(=C1)C=CC2=CSC=N2)Cl","VIBNPLIHZMPCKW-AATRIKPKSA-N",5388396,NA,"PDBC24751","635551","Present",NA,NA
+"24752","4-[(E)-2-(2-Chlorophenyl)ethenyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(2-Chlorophenyl)ethenyl]quinoline",NA,"C1=CC=C(C(=C1)C=CC2=CC=NC3=CC=CC=C23)Cl","DVQQCTSFLJNTCY-MDZDMXLPSA-N",5351666,NA,"PDBC24752","15784","Present",NA,NA
+"24753","4-[(E)-2-(3,4,5-Trimethoxyphenyl)vinyl]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(3,4,5-Trimethoxyphenyl)vinyl]thiadiazole",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CSN=N2","UAOUSCIUHQDJRQ-SNAWJCMRSA-N",5388287,NA,"PDBC24753","634512","Present",NA,NA
+"24754","4-[(E)-2-(3,4-Dihydroxyphenyl)ethenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,4-Dihydroxy-phenyl)-vinyl]-benzenesulfonamide",NA,"C1=CC(=CC=C1C=CC2=CC(=C(C=C2)O)O)S(=O)(=O)N","YINNBTDWOUMDGY-OWOJBTEDSA-N",5472597,NA,"PDBC24754","720357","Present",NA,NA
+"24755","4-[(E)-2-(3,4-Dimethoxyphenyl)ethenyl]cinnoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(3,4-Dimethoxyphenyl)ethenyl]cinnoline",NA,"COC1=C(C=C(C=C1)C=CC2=CN=NC3=CC=CC=C32)OC","GQWZXIKBGQRNDI-VQHVLOKHSA-N",6418734,NA,"PDBC24755","176656","Present",NA,NA
+"24756","4-[(E)-2-(3-Pyridyl)vinyl]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(3-Pyridyl)vinyl]thiadiazole",NA,"C1=CC(=CN=C1)C=CC2=CSN=N2","LWMHWAZGHSVFTL-ONEGZZNKSA-N",5388371,NA,"PDBC24756","635409","Present",NA,NA
+"24757","4-[(E)-2-(4-Chlorophenyl)ethenyl]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(4-Chlorophenyl)ethenyl]thiadiazole",NA,"C1=CC(=CC=C1C=CC2=CSN=N2)Cl","YTTTUEKQGQUFAJ-ZZXKWVIFSA-N",5874206,NA,"PDBC24757","635311","Present",NA,NA
+"24758","4-[(E)-2-(4-Hydroxy-3-methoxy-phenyl)vinyl]-5,5-dimethyl-2-oxo-furan-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(4-Hydroxy-3-methoxyphenyl)vinyl)-5,5-dimethyl-2-oxo-2,5-dihydro-3-furancarbonitrile",NA,"CC1(C(=C(C(=O)O1)C#N)C=CC2=CC(=C(C=C2)O)OC)C","UTXGSIPKWAJKLC-GQCTYLIASA-N",5798508,NA,"PDBC24758","643814","Present",NA,NA
+"24759","4-[(E)-2-(4-Nitrophenyl)vinyl]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(4-Nitrophenyl)vinyl]thiadiazole",NA,"C1=CC(=CC=C1C=CC2=CSN=N2)[N+](=O)[O-]","STAYCBUZFVGGLZ-DAFODLJHSA-N",5388286,NA,"PDBC24759","634511","Present",NA,NA
+"24760","4-[(E)-2-(6-Bromo-1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-bis(2-chloroethyl)aniline;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(6-Bromo-1-ethylquinolin-1-ium-2-yl)ethenyl]-N,N-bis(2-chloroethyl)aniline;iodide",NA,"CC[N+]1=C(C=CC2=C1C=CC(=C2)Br)C=CC3=CC=C(C=C3)N(CCCl)CCCl.[I-]","LMSDUJRQIULFSE-UHFFFAOYSA-M",54600726,NA,"PDBC24760","640084","Present",NA,NA
+"24761","4-[(E)-2-(6-Chloro-4-oxo-chromen-3-yl)vinyl]-5,5-dimethyl-2-oxo-furan-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(6-Chloro-4-oxo-chromen-3-yl)vinyl]-5,5-dimethyl-2-oxo-furan-3-carbonitrile",NA,"CC1(C(=C(C(=O)O1)C#N)C=CC2=COC3=C(C2=O)C=C(C=C3)Cl)C","OSJPOPLWXBQLLX-HWKANZROSA-N",5912751,NA,"PDBC24761","648376","Present",NA,NA
+"24762","4-[(E)-2-(6-Ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(6-Ethoxyquinolin-2-yl)ethenyl]-N,N-dipropylaniline",NA,"CCCN(CCC)C1=CC=C(C=C1)C=CC2=NC3=C(C=C2)C=C(C=C3)OCC","BAXMFOTYCJGOCE-YRNVUSSQSA-N",6300604,NA,"PDBC24762","151888","Present",NA,NA
+"24763","4-[(E)-2-(7,8-Dimethylquinolin-4-yl)ethenyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, 4-[2-(7,8-dimethyl-4-quinolinyl)ethenyl]-N,...",NA,"CC1=C(C2=NC=CC(=C2C=C1)C=CC3=CC=C(C=C3)N(C)C)C","MTVYPMDBRRFFBP-RMKNXTFCSA-N",5952858,NA,"PDBC24763","268617","Present",NA,NA
+"24764","4-[(E)-2-(o-Tolyl)vinyl]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-(o-Tolyl)vinyl]thiadiazole",NA,"CC1=CC=CC=C1C=CC2=CSN=N2","QFOLZVDBJPNDMF-VOTSOKGWSA-N",5388344,NA,"PDBC24764","635115","Present",NA,NA
+"24765","4-[(E)-2-Benzyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]but-1-enyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-benzyl-1-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)but-1...",NA,"CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN3CCCC3)CC4=CC=CC=C4","ZQQGJAQVSJHPOA-RMLRFSFXSA-N",10274131,NA,"PDBC24765","783098","Present",NA,NA
+"24766","4-[(E)-2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenol",NA,"CN(C)CCOC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)O","BJMAARQGPMBAAP-OCOZRVBESA-N",5466854,NA,"PDBC24766","644609","Present",NA,NA
+"24767","4-[(E)-2-Phenylethenyl]-1-(2-phenylethyl)pyridin-1-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-Phenylethenyl]-1-(2-phenylethyl)pyridin-1-ium;bromide",NA,"C1=CC=C(C=C1)CC[N+]2=CC=C(C=C2)C=CC3=CC=CC=C3.[Br-]","MNPBNGTYRPOKRC-CALJPSDSSA-M",54606622,NA,"PDBC24767","167483","Present",NA,NA
+"24768","4-[(E)-2-[2-Amino-6-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrimidin-4-yl]ethenyl]-2-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-[(2-imino-1,2-dihydropyrimidine-4,6-diyl)diethene-2...",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NC(=N2)N)C=CC3=CC(=C(C=C3)O)OC)O","JIGBXIHKZXMRHS-FCXRPNKRSA-N",135857212,NA,"PDBC24768","763375","Present",NA,NA
+"24769","4-[(E)-2-[2-[(E)-2-[4-(Dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-[2-[(E)-2-[4-(Dimethylamino)phenyl]ethenyl]-1-methylpyridin-1-ium-4-yl]ethenyl]-N,N-dimethylaniline;iodide",NA,"C[N+]1=C(C=C(C=C1)C=CC2=CC=C(C=C2)N(C)C)C=CC3=CC=C(C=C3)N(C)C.[I-]","HCIKQMMYJWBWCY-UHFFFAOYSA-M",51062575,NA,"PDBC24769","343231","Present",NA,NA
+"24770","4-[(E)-2-[3-(2-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-[3-(2-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one",NA,"CC12CCC3C(C1CCC(=C)C2C=CC4=CCOC4=O)(COC(O3)C5=CC=CC=C5Cl)C","MYDGCSRWEUYRFP-MDZDMXLPSA-N",54613027,NA,"PDBC24770","750040","Present",NA,NA
+"24771","4-[(E)-2-[3-(3-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-[3-(3-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one",NA,"CC12CCC3C(C1CCC(=C)C2C=CC4=CCOC4=O)(COC(O3)C5=CC(=CC=C5)Cl)C","ZNLUOSIDRBVVJZ-CMDGGOBGSA-N",54613026,NA,"PDBC24771","750039","Present",NA,NA
+"24772","4-[(E)-2-[3-(4-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-[3-(4-Chlorophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethenyl]-2H-furan-5-one",NA,"CC12CCC3C(C1CCC(=C)C2C=CC4=CCOC4=O)(COC(O3)C5=CC=C(C=C5)Cl)C","WJKGSOWCSCMLPC-JXMROGBWSA-N",54613025,NA,"PDBC24772","750038","Present",NA,NA
+"24773","4-[(E)-2-[6-[(E)-2-(3,4-Dihydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]benzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-[6-[(E)-2-(3,4-Dihydroxyphenyl)ethenyl]pyridin-2-yl]ethenyl]benzene-1,2-diol",NA,"C1=CC(=NC(=C1)C=CC2=CC(=C(C=C2)O)O)C=CC3=CC(=C(C=C3)O)O","XGKCKKCXKSYAJN-KBXRYBNXSA-N",135436185,NA,"PDBC24773","711993","Present",NA,NA
+"24774","4-[(E)-3-(2,6-Dichlorophenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-3-(2,6-Dichlorophenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)C=CC3=C(C=CC=C3Cl)Cl","CJTJGXOZIMFJGO-VAWYXSNFSA-N",5908269,NA,"PDBC24774","653629","Present",NA,NA
+"24775","4-[(E)-3-(2-Hydroxyphenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-3-(2-Hydroxyphenyl)prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3O","YMXKBZXHRSRNLM-OUKQBFOZSA-N",6290863,NA,"PDBC24775","653628","Present",NA,NA
+"24776","4-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]benzonitrile",NA,"C1=CC(=CC=C1C#N)C(=O)C=CC2=CC(=C(C=C2)O)O","XSMHUOPJTRSUAE-XVNBXDOJSA-N",5468164,NA,"PDBC24776","665692","Present",NA,NA
+"24777","4-[(E)-3-[4-(Dimethylamino)phenyl]prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-3-[4-(Dimethylamino)phenyl]prop-2-enoyl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)N(C)C","QJTNUXAMJJRWCA-NTCAYCPXSA-N",5852173,NA,"PDBC24777","653630","Present",NA,NA
+"24778","4-[(E)-Furan-2-ylmethylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-Furan-2-ylmethylideneamino]-3-methyl-1H-1,2,4-triazol-5-one",NA,"CC1=NNC(=O)N1N=CC2=CC=CO2","CXZYHWHOVKEACL-WEVVVXLNSA-N",9556340,NA,"PDBC24778","698049","Present",NA,NA
+"24779","4-[(E)-Furan-2-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-Furan-2-ylmethylideneamino]-3-phenyl-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CO3","CKOVOOSIFLSJCE-NTEUORMPSA-N",9556343,NA,"PDBC24779","698052","Present",NA,NA
+"24780","4-[(E)-Pyrrolidin-1-ylazo]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-Pyrrolidin-1-ylazo]benzonitrile",NA,"C1CCN(C1)N=NC2=CC=C(C=C2)C#N","RDVZYERLISWMGZ-UHFFFAOYSA-N",390396,NA,"PDBC24780","687750","Present",NA,NA
+"24781","4-[(E)-Thiazol-2-yliminomethyl]benzene-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((1E)-2-(1,3-thiazol-2-yl)-2-azavinyl)benzene-1,3-diol",NA,"C1=CC(=C(C=C1O)O)C=NC2=NC=CS2","BIPYEPDCLVYFRD-WUXMJOGZSA-N",135499694,NA,"PDBC24781","697489","Present",NA,NA
+"24782","4-[(E)-[(4-Bromophenyl)hydrazono]methyl]-2-hydroxy-6,6-dimethyl-cyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[(4-Bromophenyl)hydrazinylidene]methyl]-2-hydroxy-6,6-dimethylcyclohexa-2,4-diene-1,1,3-tricarbonitrile",NA,"CC1(C=C(C(=C(C1(C#N)C#N)O)C#N)C=NNC2=CC=C(C=C2)Br)C","GWGPJUFXUQBOOE-NUGSKGIGSA-N",6070439,NA,"PDBC24782","672218","Present",NA,NA
+"24783","4-[(E)-[(Z)-[3-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]benzene-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3(2,4-dihydroxybenzylidene)amino)-4-(4-methoxyphenyl)...",NA,"COC1=CC=C(C=C1)C2=CSC(=NN=CC3=C(C=C(C=C3)O)O)N2N=CC4=C(C=C(C=C4)O)O","UFALZDXYDLMPLO-BRLQUVHISA-N",155805711,NA,"PDBC24783","795086","Present",NA,NA
+"24784","4-[(E)-[1-[3-(2-Chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[1-[3-(2-Chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC=CC=C3Cl","MGZMNVCGRSQUDH-UHFFFAOYSA-N",387760,NA,"PDBC24784","681814","Present",NA,NA
+"24785","4-[(E)-[1-[3-(3-Chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[1-[3-(3-Chloroanilino)-3-oxo-propanoyl]-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)O)C(=O)CC(=O)NC3=CC(=CC=C3)Cl","YJSUCHPDXXJAHQ-UHFFFAOYSA-N",387761,NA,"PDBC24785","681815","Present",NA,NA
+"24786","4-[(E)-[2-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[2-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-[1,3]thiazolo[5,4-f][1,3]benzothiazol-6-yl]iminomethyl]-N,N-dimethylaniline",NA,"CN(C)C1=CC=C(C=C1)C=NC2=NC3=CC4=C(C=C3S2)N=C(S4)N=CC5=CC=C(C=C5)N(C)C","ITMNAGYYBOLCJY-DPCVLPDWSA-N",54611485,NA,"PDBC24786","708416","Present",NA,NA
+"24787","4-[(E)-[3-Methyl-1-[3-(2-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[3-Methyl-1-[3-(2-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,"CC1=CC=CC=C1NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(=O)O","ARKXYEDTRSOTOI-UHFFFAOYSA-N",387763,NA,"PDBC24787","681817","Present",NA,NA
+"24788","4-[(E)-[3-Methyl-1-[3-(3-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[3-Methyl-1-[3-(3-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,"CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(=O)O","ZIJIGENUTDZKSV-UHFFFAOYSA-N",387764,NA,"PDBC24788","681818","Present",NA,NA
+"24789","4-[(E)-[3-Methyl-1-[3-(4-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[3-Methyl-1-[3-(4-methylanilino)-3-oxo-propanoyl]-5-oxo-4H-pyrazol-4-yl]azo]benzoic acid",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=O)C(C(=N2)C)N=NC3=CC=C(C=C3)C(=O)O","BXNHLUPSDGPLCF-UHFFFAOYSA-N",387765,NA,"PDBC24789","681819","Present",NA,NA
+"24790","4-[(E)-[5-(2,4-Dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[5-(2,4-Dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-5-phenyl-1,2,4-triazole-3-thione",NA,"CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=CC=C3)N=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl","PTXZTKDVPNPMOG-LQKURTRISA-N",9572366,NA,"PDBC24790","713296","Present",NA,NA
+"24791","4-[(E)-[5-(2,4-Dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[5-(2,4-Dichlorophenyl)furan-2-yl]methylideneamino]-5-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione",NA,"CC1=NN(C(=S)N1N=CC2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl)CN4CCN(CC4)C","XBMYZQQBURDSQL-FSJBWODESA-N",9572365,NA,"PDBC24791","713295","Present",NA,NA
+"24792","4-[(E)-[5-(4-Bromophenyl)-2-furyl]methyleneamino]-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[5-(4-Bromophenyl)-2-furyl]methyleneamino]-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione",NA,"C1=CC=C(C(=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)C4=CC=C(C=C4)Br)O","HNPKTCWODGCKHV-SRZZPIQSSA-N",135510135,NA,"PDBC24792","638052","Present",NA,NA
+"24793","4-[(E)-[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[5-(4-Chlorophenyl)furan-2-yl]methylideneamino]-5-ethyl-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione",NA,"CCC1=NN(C(=S)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)Cl)CN4CCOCC4","BHLLLKNFZSZSOA-LPYMAVHISA-N",9572349,NA,"PDBC24793","712910","Present",NA,NA
+"24794","4-[(E)-[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-1H-1,2,4-triazole-5-thione",NA,"COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C=NNC3=S)[N+](=O)[O-]","NPIKXFPCEMAPOD-FRKPEAEDSA-N",9572705,NA,"PDBC24794","724643","Present",NA,NA
+"24795","4-[(E)-[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione",NA,"CC1=NNC(=S)N1N=CC2=CC=C(O2)C3=C(C=C(C=C3)OC)[N+](=O)[O-]","MHKOFVOTUFNXMQ-LZYBPNLTSA-N",9572706,NA,"PDBC24795","724644","Present",NA,NA
+"24796","4-[(Phenylsulfonyl)amino]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-025938",NA,"C1=CC=C(C=C1)S(=O)(=O)NCCCC(=O)O","MOGAUQWSGDNMAS-UHFFFAOYSA-N",362741,NA,"PDBC24796","626996","Present",NA,NA
+"24797","4-[(R)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(R)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-ethyl-N-(2-hydroxyethyl)benzamide",NA,"CCN(CCO)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C","JFQRQSMATKRWQP-UMTXDNHDSA-N",398118,NA,"PDBC24797","707485","Present",NA,NA
+"24798","4-[(R)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-pentan-3-ylbenzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(R)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]-N-pentan-3-ylbenzamide;hydrochloride",NA,"CCC(CC)NC(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C.Cl","OYXUPMHVXKKQCQ-NQDMEMLCSA-N",5471112,NA,"PDBC24798","708822","Present",NA,NA
+"24799","4-[(S)-[(2R,5S)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(S)-[(2R,5S)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-phenylmethyl]-N,N-diethylbenzamide",NA,"CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC=CC=C2)N3CC(N(CC3C)CC=C)C","WGIDFDFAOQVAHY-VRUMLPLGSA-N",5471031,NA,"PDBC24799","707480","Present",NA,NA
+"24800","4-[(Z)-(1,2-Dimethylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazolo[1,5-a]indolinium, 4-[[4-(dimethylamino)phenyl]m...",NA,"CC1=[N+](N2C3=CC=CC=C3C(=CC4=CC=C(C=C4)N(C)C)C2=C1)C.C(F)(F)(F)S(=O)(=O)[O-]","ZDRPSZQLMODADQ-UHFFFAOYSA-M",5471038,NA,"PDBC24800","707772","Present",NA,NA
+"24801","4-[(Z)-(1-Methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683753///NSC683755",NA,"CN1C(=O)C(=CC2=CC=C(C=C2)S(=O)(=O)NN=CC(C(C(C(CO)O)O)O)O)NC1=O","PACJEKLQHDYZPF-WLCSGIKUSA-N",5907331,NA,"PDBC24801","683753///683755","Present",NA,NA
+"24802","4-[(Z)-(2,5-Dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5,6-pentahydroxyhexylideneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683752///NSC683754///NSC683765",NA,"C1=CC(=CC=C1C=C2C(=O)NC(=O)N2)S(=O)(=O)NN=CC(C(C(C(CO)O)O)O)O","YYAPHQMVCCYYTJ-LECNETTESA-N",5933661,NA,"PDBC24802","683752///683754///683765","Present",NA,NA
+"24803","4-[(Z)-(2,5-Dioxoimidazolidin-4-ylidene)methyl]-N-[(Z)-2,3,4,5-tetrahydroxypentylideneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683756///NSC683757",NA,"C1=CC(=CC=C1C=C2C(=O)NC(=O)N2)S(=O)(=O)NN=CC(C(C(CO)O)O)O","NOQUXNGPYJBCQT-LNCZXDSVSA-N",6061698,NA,"PDBC24803","683756///683757","Present",NA,NA
+"24804","4-[(Z)-(2,5-Dioxoimidazolidin-4-ylidene)methyl]benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(2,5-Dioxoimidazolidin-4-ylidene)methyl]benzenesulfonohydrazide",NA,"C1=CC(=CC=C1C=C2C(=O)NC(=O)N2)S(=O)(=O)NN","BQWPEYQDMHCPQV-YVMONPNESA-N",5469157,NA,"PDBC24804","683744","Present",NA,NA
+"24805","4-[(Z)-(2-Butylsulfanyl-5-chloroimidazol-4-ylidene)methyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(2-Butylsulfanyl-5-chloroimidazol-4-ylidene)methyl]-N,N-dimethylaniline",NA,"CCCCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C(=N1)Cl","UBJZMMCAZLSXCY-KAMYIIQDSA-N",5470760,NA,"PDBC24805","704878","Present",NA,NA
+"24806","4-[(Z)-(2-Butylsulfanyl-5-hydrazinylimidazol-4-ylidene)methyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(2-Butylsulfanyl-5-hydrazinylimidazol-4-ylidene)methyl]-N,N-dimethylaniline",NA,"CCCCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C(=N1)NN","AUDBJXYONRXPGJ-KAMYIIQDSA-N",5470751,NA,"PDBC24806","704869","Present",NA,NA
+"24807","4-[(Z)-(5-Butylsulfanylimidazo[5,1-e]tetrazol-7-ylidene)methyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(5-Butylsulfanylimidazo[5,1-e]tetrazol-7-ylidene)methyl]-N,N-dimethylaniline",NA,"CCCCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C3=NN=NN31","QVAOTNYLVQHLIM-KAMYIIQDSA-N",5470752,NA,"PDBC24807","704870","Present",NA,NA
+"24808","4-[(Z)-(5-Chloro-2-ethylsulfanylimidazol-4-ylidene)methyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(5-Chloro-2-ethylsulfanylimidazol-4-ylidene)methyl]-N,N-dimethylaniline",NA,"CCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C(=N1)Cl","UHWJFLBSKIQYBM-XFXZXTDPSA-N",5470885,NA,"PDBC24808","706030","Present",NA,NA
+"24809","4-[(Z)-(5-Ethylsulfanylimidazo[5,1-e]tetrazol-7-ylidene)methyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(5-Ethylsulfanylimidazo[5,1-e]tetrazol-7-ylidene)methyl]-N,N-dimethylaniline",NA,"CCSC1=NC(=CC2=CC=C(C=C2)N(C)C)C3=NN=NN31","NFRDQHVZRHNLSM-XFXZXTDPSA-N",5470882,NA,"PDBC24809","706027","Present",NA,NA
+"24810","4-[(Z)-(5-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(5-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C(=CC=C3)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","XGORZNIMCBDBEA-UHFFFAOYSA-M",5471991,NA,"PDBC24810","715777","Present",NA,NA
+"24811","4-[(Z)-(6-Cyano-7-methyl-benzimidazolo[1,2-a][1,8]naphthyridin-5-ylidene)amino]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(6-Cyano-7-methyl-benzimidazolo[1,2-a][1,8]naphthyridin-5-ylidene)amino]butanoic acid",NA,"CN1C2=CC=CC=C2N3C1=C(C(=NCCCC(=O)O)C4=C3N=CC=C4)C#N","ZHTMAUVGJRHJCN-UHFFFAOYSA-N",393026,NA,"PDBC24811","694270","Present",NA,NA
+"24812","4-[(Z)-(6-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(6-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C=C(C=C3)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","JEZUKWCZEZNHEA-UHFFFAOYSA-M",5469860,NA,"PDBC24812","693572","Present",NA,NA
+"24813","4-[(Z)-(7-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(7-Methoxy-1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=C(C2=CC4=CC=C(C=C4)N(C)C)C=CC(=C3)OC)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","VXZKCZYQOKYCGI-UHFFFAOYSA-M",5471989,NA,"PDBC24813","715776","Present",NA,NA
+"24814","4-[(Z)-(Dimethylhydrazinylidene)methyl]-2-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-(Dimethylhydrazinylidene)methyl]-2-[(E)-(dimethylhydrazinylidene)methyl]-6-methoxyphenol",NA,"CN(C)N=CC1=CC(=C(C(=C1)OC)O)C=NN(C)C","ZKGVHKYIQOMBMU-DJJIWSAGSA-N",135436319,NA,"PDBC24814","718162","Present",NA,NA
+"24815","4-[(Z)-1,2-Dichloro-3-(1,3-dihydrobenzimidazol-2-ylidene)-3-nitroprop-1-enyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-1,2-Dichloro-3-(1,3-dihydrobenzimidazol-2-ylidene)-3-nitroprop-1-enyl]morpholine",NA,"C1COCCN1C(=C(C(=C2NC3=CC=CC=C3N2)[N+](=O)[O-])Cl)Cl","CJCLURGDRRUBOM-ACCUITESSA-N",5470204,NA,"PDBC24815","698383","Present",NA,NA
+"24816","4-[(Z)-1,2-Dichloro-3-imidazolidin-2-ylidene-3-nitroprop-1-enyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-1,2-Dichloro-3-imidazolidin-2-ylidene-3-nitroprop-1-enyl]morpholine",NA,"C1CNC(=C(C(=C(N2CCOCC2)Cl)Cl)[N+](=O)[O-])N1","DPQNKDXZWSYIOG-VQHVLOKHSA-N",1101874,NA,"PDBC24816","698385","Present",NA,NA
+"24817","4-[(Z)-2-(2-Methoxyphenyl)ethenyl]cinnoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-(2-Methoxyphenyl)ethenyl]cinnoline",NA,"COC1=CC=CC=C1C=CC2=CN=NC3=CC=CC=C32","PIAAEUOHAZPIHU-KHPPLWFESA-N",54602268,NA,"PDBC24817","231986","Present",NA,NA
+"24818","4-[(Z)-2-(3,4,5-Trimethoxyphenyl)ethenyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,4,5-Trimethoxyphenyl)Ethenyl(2)]Phenol",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)O","PGNACKMMQGBVTN-PLNGDYQASA-N",5388061,NA,"PDBC24818","631360","Present",NA,NA
+"24819","4-[(Z)-2-(3,4,5-Trimethoxyphenyl)ethenyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z) 4-[2-(3,4,4-Trimethoxyphenyl)ethenyl]pyridine",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=NC=C2","NGJDPYNEVBRZTO-PLNGDYQASA-N",5388741,NA,"PDBC24819","638392","Present",NA,NA
+"24820","4-[(Z)-2-(3-Methoxyphenyl)ethenyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stilbene, 4-hydroxy-4'-methoxy-, (z)-",NA,"COC1=CC=CC(=C1)C=CC2=CC=C(C=C2)O","ZVJLZUWCAUTTBS-WAYWQWQTSA-N",5469252,NA,"PDBC24820","684913","Present",NA,NA
+"24821","4-[(Z)-2-(3-Methoxyphenyl)ethenyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-(3-Methoxyphenyl)ethenyl]quinoline",NA,"COC1=CC=CC(=C1)C=CC2=CC=NC3=CC=CC=C23","HNROPYQTKQXJFN-KTKRTIGZSA-N",54605789,NA,"PDBC24821","69599","Present",NA,NA
+"24822","4-[(Z)-2-(4,6-Dimethylquinolin-2-yl)ethenyl]-N,N-diethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-(4,6-Dimethylquinolin-2-yl)ethenyl]-N,N-diethylaniline",NA,"CCN(CC)C1=CC=C(C=C1)C=CC2=NC3=C(C=C(C=C3)C)C(=C2)C","GLWRYJUYFWCCNB-FLIBITNWSA-N",54605076,NA,"PDBC24822","13625","Present",NA,NA
+"24823","4-[(Z)-2-(5-Nitro-2-furyl)ethenyl]-6-(4-phenylpiperazin-1-yl)-1,5-triazin-2-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-(5-nitro-2-furyl)ethenyl]-6-(4-phenylpiperazin-...",NA,"C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N)C=CC4=CC=C(O4)[N+](=O)[O-]","XWMIKHGSRMDQDQ-VURMDHGXSA-N",24205520,NA,"PDBC24823","736075","Present",NA,NA
+"24824","4-[(Z)-2-(5-Nitro-thiophen-2-yl)ethenyl]-6-(3,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-(3,5,5-trimet...",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C=CC3=CC=C(S3)[N+](=O)[O-]","QPWZPQBTHXDNFA-XQRVVYSFSA-N",24205523,NA,"PDBC24824","736078","Present",NA,NA
+"24825","4-[(Z)-2-(5-Nitro-thiophen-2-yl)ethenyl]-6-(4-phenylpiperazi n-1-yl)-1,5-triazin-2-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-(4-phenylpipe...",NA,"C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N)C=CC4=CC=C(S4)[N+](=O)[O-]","WTCAWLVKUCGNFY-VURMDHGXSA-N",24205521,NA,"PDBC24825","736076","Present",NA,NA
+"24826","4-[(Z)-2-(5-Nitro-thiophen-2-yl)ethenyl]-6-pyrrolidin-1-yl-1,5-triazin-2-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-(5-nitro-thiophen-2-yl)ethenyl]-6-pyrrolidin-1-...",NA,"C1CCN(C1)C2=NC(=NC(=N2)N)C=CC3=CC=C(S3)[N+](=O)[O-]","RWZGMCJKDYCZBW-HYXAFXHYSA-N",24205524,NA,"PDBC24826","736079","Present",NA,NA
+"24827","4-[(Z)-2-Phenylethenyl]-6-(3,5-trimethyl-4,5-dihydro-1H-py razol-1-yl)-1,3,5-triazin-2-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-phenylethenyl]-6-(3,5,5-trimethyl-4,5-dihydro-1...",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)C=CC3=CC=CC=C3","FHZLTRAMOMAPSK-KTKRTIGZSA-N",24205522,NA,"PDBC24827","736077","Present",NA,NA
+"24828","4-[(Z)-2-Phenylethenyl]-6-(4-phenylpiperazin-1-yl)-1,5-tri azin-2-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-phenylethenyl]-6-(4-phenylpiperazin-1-yl)-1,3,5...",NA,"C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N)C=CC4=CC=CC=C4","AINQEKYRAAIKDA-QXMHVHEDSA-N",24205518,NA,"PDBC24828","736073","Present",NA,NA
+"24829","4-[(Z)-2-[5-[(Z)-2-(3,4-Dihydroxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]benzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-[5-[(Z)-2-(3,4-Dihydroxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]benzene-1,2-diol",NA,"C1=CC(=C(C=C1C=CC2=NN=C(S2)C=CC3=CC(=C(C=C3)O)O)O)O","KAFQFUKQGFVORO-VHOZIDCHSA-N",135505178,NA,"PDBC24829","703322","Present",NA,NA
+"24830","4-[(Z)-2-[5-[(Z)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]-2-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-2-[5-[(Z)-2-(4-Hydroxy-3-methoxyphenyl)ethenyl]-1,3,4-thiadiazol-2-yl]ethenyl]-2-methoxyphenol",NA,"COC1=C(C=CC(=C1)C=CC2=NN=C(S2)C=CC3=CC(=C(C=C3)O)OC)O","PCZBKAXPWQZFKL-OZDSWYPASA-N",135505177,NA,"PDBC24830","703321","Present",NA,NA
+"24831","4-[(Z)-Hydroxyiminomethyl]-2-[(E)-hydroxyiminomethyl]-6-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-Hydroxyiminomethyl]-2-[(E)-hydroxyiminomethyl]-6-methoxyphenol",NA,"COC1=CC(=CC(=C1O)C=NO)C=NO","FZBDFWKLMTWREJ-WIZYTBDYSA-N",135436316,NA,"PDBC24831","718157","Present",NA,NA
+"24832","4-[(Z)-Indolo[1,2-b]indazol-11-ylidenemethyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-Indolo[1,2-b]indazol-11-ylidenemethyl]-N,N-dimethylaniline",NA,"CN(C)C1=CC=C(C=C1)C=C2C3=CC=CC=C3N4C2=C5C=CC=CC5=N4","UHNGVDFOYYUXBZ-HKWRFOASSA-N",5472473,NA,"PDBC24832","719163","Present",NA,NA
+"24833","4-[(Z)-[(5E)-5-(1,3-Benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]-2-ethoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-[(5E)-5-(1,3-Benzothiazol-2-ylimino)-1-(3-chlorophenyl)-3-methylpyrazol-4-ylidene]methyl]-2-ethoxyphenol",NA,"CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=NC3=NC4=CC=CC=C4S3)C5=CC(=CC=C5)Cl)C)O","HYCHBAYNMLAXLQ-CLRATCJESA-N",135436211,NA,"PDBC24833","713651","Present",NA,NA
+"24834","4-[(Z)-[2-(1-Adamantyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-[2-(1-Adamantyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)C56CC7CC(C5)CC(C7)C6.C(F)(F)(F)S(=O)(=O)[O-]","SRUWEDXOSIBNLM-UHFFFAOYSA-M",5470315,NA,"PDBC24834","699475","Present",NA,NA
+"24835","4-[(Z)-[2-(4-Chlorophenyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-[2-(4-Chlorophenyl)-1-methylpyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]-N,N-dimethylaniline;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)Cl.C(F)(F)(F)S(=O)(=O)[O-]","RMWROCHUEFCPKJ-UHFFFAOYSA-M",5351444,NA,"PDBC24835","699479","Present",NA,NA
+"24836","4-[(Z)-[4-(4-Bromophenyl)-3-(2,4,6-trimethylphenyl)thiazol-2-ylidene]hydrazono]-2,6-ditert-butyl-cyclohexa-2,5-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z)-[4-(4-Bromophenyl)-3-(2,4,6-trimethylphenyl)-1,3-thiazol-2-ylidene]hydrazinylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one",NA,"CC1=CC(=C(C(=C1)C)N2C(=CSC2=NN=C3C=C(C(=O)C(=C3)C(C)(C)C)C(C)(C)C)C4=CC=C(C=C4)Br)C","DYFJJERSQGKXLB-GXVXDJONSA-N",9555897,NA,"PDBC24836","648908","Present",NA,NA
+"24837","4-[(Z,3E)-1,2-Dichloro-3-nitro-3-(1,3-oxazolidin-2-ylidene)prop-1-enyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(Z,3E)-1,2-Dichloro-3-nitro-3-(1,3-oxazolidin-2-ylidene)prop-1-enyl]morpholine",NA,"C1COC(=C(C(=C(N2CCOCC2)Cl)Cl)[N+](=O)[O-])N1","LSKSYJASJJPZNN-FIFLTTCUSA-N",2192609,NA,"PDBC24837","698386","Present",NA,NA
+"24838","4-[1,1'-Biphenyl]-2-yl-N-(2,6-diisopropylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2,6-Di(propan-2-yl)phenyl]-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5","SNWBQTFUIPYXSV-UHFFFAOYSA-N",369829,NA,"PDBC24838","642026","Present",NA,NA
+"24839","4-[1,1'-Biphenyl]-2-yl-N-(2,6-dimethylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5","FTIDQNJBYQFDHN-UHFFFAOYSA-N",369823,NA,"PDBC24839","642018","Present",NA,NA
+"24840","4-[1,1'-Biphenyl]-2-yl-N-(2-(hydroxy(oxido)amino)phenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,"C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5[N+](=O)[O-]","NXGPSBMKJWIUQL-UHFFFAOYSA-N",369819,NA,"PDBC24840","642014","Present",NA,NA
+"24841","4-[1,1'-Biphenyl]-2-yl-N-(2-cyanophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[1,1'-Biphenyl]-2-yl-N-(2-cyanophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=CC=C5C#N","XBUSUHDJJXJPTO-UHFFFAOYSA-N",369825,NA,"PDBC24841","642021","Present",NA,NA
+"24842","4-[1,1'-Biphenyl]-2-yl-N-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,"C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl","QYLHPFHJVVRQAO-UHFFFAOYSA-N",369827,NA,"PDBC24842","642024","Present",NA,NA
+"24843","4-[1,1'-Biphenyl]-2-yl-N-(3-(hydroxy(oxido)amino)phenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,"C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=CC=C5)[N+](=O)[O-]","YXKBCIIQJQYDFH-UHFFFAOYSA-N",369826,NA,"PDBC24843","642023","Present",NA,NA
+"24844","4-[1,1'-Biphenyl]-2-yl-N-(3-chloro-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5","PNIPJUBRKOHMKJ-UHFFFAOYSA-N",369828,NA,"PDBC24844","642025","Present",NA,NA
+"24845","4-[1,1'-Biphenyl]-2-yl-N-(4-(hydroxy(oxido)amino)-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methyl-4-nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,"CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5","VIMRAHCTUDYZIT-UHFFFAOYSA-N",369830,NA,"PDBC24845","642027","Present",NA,NA
+"24846","4-[1,1'-Biphenyl]-2-yl-N-(4-chlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,"C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC=C(C=C5)Cl","BHOBKTKWZATDJW-UHFFFAOYSA-N",369270,NA,"PDBC24846","641001","Present",NA,NA
+"24847","4-[1,1'-Biphenyl]-2-yl-N-(6-ethoxy-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Biphenyl-2-butanamide,  N-(6-ethoxybenzothiazol-2-yl)- ....",NA,"CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC=CC=C5C6=CC=CC=C6","ZEKACKAXHHKHOA-UHFFFAOYSA-N",369263,NA,"PDBC24847","640994","Present",NA,NA
+"24848","4-[1,1'-Biphenyl]-2-yl-N-(6-methoxy-3H-1lambda~4~,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Methoxy-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC=CC=C5C6=CC=CC=C6","BLJDQTUQBFVYHN-UHFFFAOYSA-N",495041,NA,"PDBC24848","642022","Present",NA,NA
+"24849","4-[1,1,1,3,3,3-Hexafluoro-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-(2-phenylethyl)amino]propan-2-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[1,1,1,3,3,3-Hexafluoro-2-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-(2-phenylethyl)amino]propan-2-yl]-5-methyl-2-phenyl-1H-pyrazol-3-one",NA,"CC1CN=C(S1)N(CCC2=CC=CC=C2)C(C3=C(NN(C3=O)C4=CC=CC=C4)C)(C(F)(F)F)C(F)(F)F","NMHAUEGEWDUFAM-UHFFFAOYSA-N",401440,NA,"PDBC24849","715100","Present",NA,NA
+"24850","4-[1,2,3,4,5-Pentakis(phenylmethoxy)pentyl]piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[1,2,3,4,5-Pentakis(phenylmethoxy)pentyl]piperidine-2,6-dione",NA,"C1C(CC(=O)NC1=O)C(C(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6","TYGWBMWKACJZTJ-UHFFFAOYSA-N",386077,NA,"PDBC24850","677662","Present",NA,NA
+"24851","4-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]-2,5-dichlorobenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]-2,5-dichlorobenzenesulfonic acid",NA,"CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC(=C(C=C5Cl)S(=O)(=O)O)Cl","RCKFWDXMSHBSSH-UHFFFAOYSA-N",397245,NA,"PDBC24851","704662","Present",NA,NA
+"24852","4-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[1-(1,3-Benzothiazol-2-yl)-3-chloro-6-methyl-2-oxo-1,7,8-triazaspiro[3.4]oct-6-en-8-yl]benzenesulfonic acid",NA,"CC1=NN(C2(C1)C(C(=O)N2C3=NC4=CC=CC=C4S3)Cl)C5=CC=C(C=C5)S(=O)(=O)O","VNLNLDSLLKBJAI-UHFFFAOYSA-N",397241,NA,"PDBC24852","704658","Present",NA,NA
+"24853","4-[1-(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]phenol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[1-(2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]phenol;hydrochloride",NA,"C1CCN2CCCC(C2C1)CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3C5=CC=C(C=C5)O.Cl","DCUGBCKFFUETAZ-UHFFFAOYSA-N",400877,NA,"PDBC24853","713553","Present",NA,NA
+"24854","4-[1-(4-Aminophenyl)-3,4-diphenyl-1-thienyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1-(4-Aminophenyl)-3,4-diphenyl-1H-1.lambda.~4~-thien-1-yl)phenylamine",NA,"C1=CC=C(C=C1)C2=CS(C=C2C3=CC=CC=C3)(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N","CRJQJLXKIAVCAA-UHFFFAOYSA-N",392992,NA,"PDBC24854","694234","Present",NA,NA
+"24855","4-[1-Hydroxy-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[1-Hydroxy-2-[1-(3-methoxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol;hydrochloride",NA,"CC(CC1=CC(=CC=C1)OC)NCC(C2=CC(=C(C=C2)O)O)O.Cl","IIZFRUMUROWWKY-UHFFFAOYSA-N",54609294,NA,"PDBC24855","21194","Present",NA,NA
+"24856","4-[1-{5-Tert-Butoxycarbonylamino-1-[2-(carbamoylmethyl-carbamoyl)-pyrrolidine-1-carbonyl]-pentylcarbamoyl}-2-(1H-indol-3-yl)-ethylcarbamoyl]-4-(9H-fluoren-9-ylmethoxycarbonylamino)-butyric acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672436///NSC672437",NA,"CC(C)(C)OC(=O)CCC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N3CCCC3C(=O)NCC(=O)N)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46","SBLVFOLUIRWCFR-UHFFFAOYSA-N",383820,NA,"PDBC24856","672436///672437","Present",NA,NA
+"24857","4-[10-(4-Hydroxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl]cyclohexan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[10-(4-Hydroxycyclohexyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthren-9-yl]cyclohexan-1-ol",NA,"C1CCC2C(C1)C3CCCCC3C(C2C4CCC(CC4)O)C5CCC(CC5)O","XCKQBJYVQJFPMD-UHFFFAOYSA-N",334598,NA,"PDBC24857","340256","Present",NA,NA
+"24858","4-[15-(4-Hydroxy-3-methoxy-phenyl)-1,3,14,16-tetrathiacyclohexacos-2-yl]-2-methoxy-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[15-(4-Hydroxy-3-methoxy-phenyl)-1,3,14,16-tetrathiacyclohexacos-2-yl]-2-methoxy-phenol",NA,"COC1=C(C=CC(=C1)C2SCCCCCCCCCCSC(SCCCCCCCCCCS2)C3=CC(=C(C=C3)O)OC)O","HBDTUTAWRQNCDM-UHFFFAOYSA-N",261816,NA,"PDBC24858","94783","Present",NA,NA
+"24859","4-[2,2-Diphenyl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2,4-Dimethoxyphenyl-1,2-diphenyl-1H-imidazole",NA,"COC1=C(C=C(C=C1)C2=CN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4)OC","YXXHPSXQGFGZLR-UHFFFAOYSA-N",45029217,NA,"PDBC24859","745615","Present",NA,NA
+"24860","4-[2,3,4,5-Tetrakis(phenylmethoxy)pentyl]piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677670///NSC677672",NA,"C1C(CC(=O)NC1=O)CC(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","NYOXXIWFCVGYKA-UHFFFAOYSA-N",386082,NA,"PDBC24860","677670///677672","Present",NA,NA
+"24861","4-[2,3,4-Tris(phenylmethoxy)butyl]piperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2,3,4-Tris(benzyloxy)butyl]piperidine-2,6-dione",NA,"C1C(CC(=O)NC1=O)CC(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","WOSIQXBUXBWKIH-UHFFFAOYSA-N",386085,NA,"PDBC24861","677675","Present",NA,NA
+"24862","4-[2,3-Dichloro-4-[cyclopentyl(methyl)carbamoyl]phenoxy]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2,3-Dichloro-4-[cyclopentyl(methyl)carbamoyl]phenoxy]butanoic acid",NA,"CN(C1CCCC1)C(=O)C2=C(C(=C(C=C2)OCCCC(=O)O)Cl)Cl","ZYIVNXUEKHUUQO-UHFFFAOYSA-N",360270,NA,"PDBC24862","622295","Present",NA,NA
+"24863","4-[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethyl]benzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethyl]benzene-1,2-diol",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCC5=CC(=C(C=C5)O)O","WXKWOYVHNCHUOX-UHFFFAOYSA-N",24205774,NA,"PDBC24863","736609","Present",NA,NA
+"24864","4-[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethyl]phenol",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCC5=CC=C(C=C5)O","VREWPBBKZDUFKM-UHFFFAOYSA-N",24205773,NA,"PDBC24864","736608","Present",NA,NA
+"24865","4-[2-(1H-Imidazol-4-yl)ethylamino-4-oxobutyl]-10-methyl-3-ph enyl-4H-indolo[3,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(1H-imidazol-4-yl)ethylamino-4-oxobutyl]-10-methyl-...",NA,"CN1C2=CC=CC=C2C3=C1N4C(=C(N=N4)C5=CC=CC=C5)N(C3=O)CCCC(=O)NCCC6=CN=CN6","QTKVHGJQEWRSKU-UHFFFAOYSA-N",24205296,NA,"PDBC24865","734970","Present",NA,NA
+"24866","4-[2-(1H-Indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methyl sulfite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(1H-Indazol-4-yl)-6-[(4-methylsulfonylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-4-yl]morpholine;methyl sulfite",NA,"COS(=O)[O-].CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=C5C=NNC5=CC=C4)N6CCOCC6","MLAGCKQQXHHVMB-UHFFFAOYSA-M",60147889,NA,"PDBC24866","752837","Present",NA,NA
+"24867","4-[2-(1H-Indol-3-yl)indolin-1-yl]-4-oxo-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(1H-Indol-3-yl)indolin-1-yl]-4-oxo-butanoic acid",NA,"C1C(N(C2=CC=CC=C21)C(=O)CCC(=O)O)C3=CNC4=CC=CC=C43","UNLYVABGLGMBAE-UHFFFAOYSA-N",364680,NA,"PDBC24867","631313","Present",NA,NA
+"24868","4-[2-(2,4-Dichlorophenyl)ethyl]morpholine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639398",NA,"C1COCCN1CCC2=C(C=C(C=C2)Cl)Cl.Cl","MDYJIGKFBWYWPM-UHFFFAOYSA-N",368404,NA,"PDBC24868","639398","Present",NA,NA
+"24869","4-[2-(2,4-Dimethoxyphenyl)vinyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-051/41206025",NA,"COC1=CC(=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)OC","JWVFZPJNCCZECZ-BQYQJAHWSA-N",5909848,NA,"PDBC24869","69602","Present",NA,NA
+"24870","4-[2-(2,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(2,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,"COC1=CC2=C(CCC3=C2N(C4=C3C=C(C=C4)OC)CCN5CCOCC5)C=C1","YVCHJKSPZZWASZ-UHFFFAOYSA-N",391533,NA,"PDBC24870","690782","Present",NA,NA
+"24871","4-[2-(2-Hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-[4-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(2-Hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N-[4-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]phenyl]benzamide",NA,"C1C(=O)N(C(S1)C2=CC=CC=C2O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5C(SCC5=O)C6=CC=CC=C6O","GNLUEPSZHATBLB-UHFFFAOYSA-N",397140,NA,"PDBC24871","704539","Present",NA,NA
+"24872","4-[2-(2-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(2-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,"COC1=CC2=C(CCC3=C2N(C4=CC=CC=C34)CCN5CCOCC5)C=C1","OADMYZYVJIFDEM-UHFFFAOYSA-N",390898,NA,"PDBC24872","689073","Present",NA,NA
+"24873","4-[2-(2-Phenylethynyl)phenyl]but-3-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(2-Phenylethynyl)phenyl]but-3-yn-1-ol",NA,"C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CCCO","UEQOGGZQIRGICM-UHFFFAOYSA-N",24203325,NA,"PDBC24873","727543","Present",NA,NA
+"24874","4-[2-(2-Pyridyl)ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GRKACIXCRNRVBC-UHFFFAOYSA-N",NA,"C1COCCN1CCC2=CC=CC=N2","GRKACIXCRNRVBC-UHFFFAOYSA-N",95909,NA,"PDBC24874","42645","Present",NA,NA
+"24875","4-[2-(2-{3-Acetylamino-2-benzyloxy-5-hydroxy-6-[3-(1-nitro-acridin-9-ylamino)-propionyloxy]-tetrahydro-pyran-4-yloxy}-acetylamino)-propionylamino]-4-carbamoyl-butyric acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[2-[[2-[5-acetamido-3-hydroxy-2-[3-[(1-nitroacridin-9-yl)amino]propanoyloxy]-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-5-amino-5-oxopentanoate",NA,"CC(C(=O)NC(CCC(=O)OC)C(=O)N)NC(=O)COC1C(C(OC(C1O)OC(=O)CCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])OCC5=CC=CC=C5)NC(=O)C","ZQWFCFYDDHUVMS-UHFFFAOYSA-N",374321,NA,"PDBC24875","651845","Present",NA,NA
+"24876","4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Aniline",NA,"COC1=CC(=CC(=C1OC)OC)CCC2=CC=C(C=C2)N","BPIQFCQFIYIISU-UHFFFAOYSA-N",364705,NA,"PDBC24876","631359","Present",NA,NA
+"24877","4-[2-(3,4,5-Trimethoxyphenyl)ethyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,4,5-Trimethoxyphenyl)ethyl]pyridine",NA,"COC1=CC(=CC(=C1OC)OC)CCC2=CC=NC=C2","YQDJYHVGSVYEKW-UHFFFAOYSA-N",368069,NA,"PDBC24877","638397","Present",NA,NA
+"24878","4-[2-(3,4-Dimethoxynaphthalen-1-yl)-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,4-Dimethoxynaphthalen-1-yl)-1-[4-(dimethylamino)phenyl]ethenyl]-N,N-dimethylaniline",NA,"CN(C)C1=CC=C(C=C1)C(=CC2=CC(=C(C3=CC=CC=C32)OC)OC)C4=CC=C(C=C4)N(C)C","SJDWDKDOVMYBAH-UHFFFAOYSA-N",356139,NA,"PDBC24878","611229","Present",NA,NA
+"24879","4-[2-(3,4-Dimethoxyphenyl)ethyl]-11-oxa-4-azatricyclo[6.2.1.01,6]undec-9-ene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,4-Dimethoxyphenyl)ethyl]-11-oxa-4-azatricyclo[6.2.1.01,6]undec-9-ene-3,5-dione",NA,"COC1=C(C=C(C=C1)CCN2C(=O)CC34C=CC(O3)CC4C2=O)OC","GYSJNVIJWYPSLE-UHFFFAOYSA-N",397464,NA,"PDBC24879","705322","Present",NA,NA
+"24880","4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,5-Dimethoxy-phenyl)-vinyl]-benzenesulfonamide",NA,"COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)N)OC","NZYUKAPUIFBGJP-ONEGZZNKSA-N",5472624,NA,"PDBC24880","720516","Present",NA,NA
+"24881","4-[2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-N-(4-hydroxyphenyl)-2,4-dioxobutanamide",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(=O)C(=O)NC5=CC=C(C=C5)O","QFAYFBIFOWQRFE-UHFFFAOYSA-N",370949,NA,"PDBC24881","644754","Present",NA,NA
+"24882","4-[2-(3,6-Dioxo-1,4-cyclohexadienyl)vinyl]benzoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)etheny...",NA,"COC(=O)C1=CC=C(C=C1)C=CC2=CC(=O)C=CC2=O","NTYYEKMWOOODIR-QPJJXVBHSA-N",5468990,NA,"PDBC24882","680780","Present",NA,NA
+"24883","4-[2-(3,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,"COC1=CC2=C(C=C1)C3=C(CC2)C4=C(N3CCN5CCOCC5)C=CC(=C4)OC","QILLSXIKKBYEDP-UHFFFAOYSA-N",391535,NA,"PDBC24883","690784","Present",NA,NA
+"24884","4-[2-(3-Cyano-5-vinyl-4-pyridyl)ethyl]-5-vinyl-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3-Cyano-5-vinyl-4-pyridyl)ethyl]-5-vinyl-pyridine-3-carbonitrile",NA,"C=CC1=CN=CC(=C1CCC2=C(C=NC=C2C=C)C#N)C#N","YYUTVWBHWXJNKJ-UHFFFAOYSA-N",370374,NA,"PDBC24884","643440","Present",NA,NA
+"24885","4-[2-(3-Hydroxy-phenyl)-vinyl]-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3-Hydroxy-phenyl)-vinyl]-benzenesulfonamide",NA,"C1=CC(=CC(=C1)O)C=CC2=CC=C(C=C2)S(=O)(=O)N","CPFGYIQVFAEGJS-SNAWJCMRSA-N",5472595,NA,"PDBC24885","720355","Present",NA,NA
+"24886","4-[2-(3-Methoxy-phenyl)-vinyl]-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(3-Methoxy-phenyl)-vinyl]-benzenesulfonamide",NA,"COC1=CC=CC(=C1)C=CC2=CC=C(C=C2)S(=O)(=O)N","VVJJGULCSHBLBE-AATRIKPKSA-N",5472641,NA,"PDBC24886","720590","Present",NA,NA
+"24887","4-[2-(3-Pyridinyl)-6-morpholinopyrimidine-4-yl]-1-methyl-3-(3-hydroxy-5-methylphenyl)-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-methyl-5-(1-methyl-4-(6-morpholino-2-(pyridin-3-yl)pyr...",NA,"CC1=CC(=CC(=C1)O)C2=NN(C=C2C3=CC(=NC(=N3)C4=CN=CC=C4)N5CCOCC5)C","JRQZVGYJEGMKQR-UHFFFAOYSA-N",102140478,NA,"PDBC24887","780369","Present",NA,NA
+"24888","4-[2-(4,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(4,8-Dimethoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,"COC1=CC2=C(C=C1)N(C3=C2CCC4=C3C=CC=C4OC)CCN5CCOCC5","APANLSWNXPJUDD-UHFFFAOYSA-N",391536,NA,"PDBC24888","690785","Present",NA,NA
+"24889","4-[2-(4-Amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazino]-N-(2,6-dimethylphenyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(4-Amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazino]-N-(2,6-dimethylphenyl)-4-oxobutanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NNC2=NN=C(N2N)C","ZYUNDXFUDCYZTM-UHFFFAOYSA-N",364285,NA,"PDBC24889","630303","Present",NA,NA
+"24890","4-[2-(4-Aminophenyl)-2-adamantyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-bis(4-aminophenyl)adamantane",NA,"C1C2CC3CC1CC(C2)C3(C4=CC=C(C=C4)N)C5=CC=C(C=C5)N","SIRBJVCEJWRRJT-UHFFFAOYSA-N",399965,NA,"PDBC24890","711117","Present",NA,NA
+"24891","4-[2-(4-Aminophenyl)-2-oxo-ethyl]-2-imino-5-methoxy-8-methyl-6-oxo-3,4-dihydropyrano[3,2-g]chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(4-Aminophenyl)-2-oxoethyl]-2-imino-5-methoxy-8-methyl-6-oxo-3,4-dihydropyrano[3,2-g]chromene-3-carboxamide",NA,"CC1=CC(=O)C2=C(C3=C(C=C2O1)OC(=N)C(C3CC(=O)C4=CC=C(C=C4)N)C(=O)N)OC","VRWBXMASPWFWQD-UHFFFAOYSA-N",393919,NA,"PDBC24891","696892","Present",NA,NA
+"24892","4-[2-(4-Aminophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]oxy-N-methylpyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-(4-aminophenyl)benzo[d]imidazo[2,1-b]thiazol-7-yl)...",NA,"CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N4C=C(N=C4S3)C5=CC=C(C=C5)N","VYVAAALMPRKSAQ-UHFFFAOYSA-N",155816838,NA,"PDBC24892","785507","Present",NA,NA
+"24893","4-[2-(4-Chlorobenzyl)hydrazino]-N-(4-chlorophenyl)-6-methyl-2-oxo-1,2-dihydropyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-[2-[(4-chlorophenyl)methyl]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=NC(=O)N1)NNCC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","PGGUWDCNCVYASA-UHFFFAOYSA-N",383462,NA,"PDBC24893","671848","Present",NA,NA
+"24894","4-[2-(4-Dimethylamino-phenyl)-vinyl]-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(4-Dimethylamino-phenyl)-vinyl]-benzenesulfonamide",NA,"CN(C)C1=CC=C(C=C1)C=CC2=CC=C(C=C2)S(=O)(=O)N","AZJCYZBSMRXCNX-ONEGZZNKSA-N",5472593,NA,"PDBC24894","720352","Present",NA,NA
+"24895","4-[2-(4-Ethoxyanilino)acetyl]-1,3-dihydroquinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(4-Ethoxyanilino)acetyl]-1,3-dihydroquinoxalin-2-one",NA,"CCOC1=CC=C(C=C1)NCC(=O)N2CC(=O)NC3=CC=CC=C32","HGDNBAYVPNUQSR-UHFFFAOYSA-N",374862,NA,"PDBC24895","653322","Present",NA,NA
+"24896","4-[2-(4-Fluoro-phenyl)-vinyl]-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(4-Fluoro-phenyl)-vinyl]-benzenesulfonamide",NA,"C1=CC(=CC=C1C=CC2=CC=C(C=C2)S(=O)(=O)N)F","WJHBOSSYFGFFPC-OWOJBTEDSA-N",5472587,NA,"PDBC24896","720345","Present",NA,NA
+"24897","4-[2-(4-Hydroxy-3-methoxy-phenyl)-4-nitro-5-[(E)-phenyliminomethyl]-3-furyl]-2-methoxy-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(4-Hydroxy-3-methoxy-phenyl)-4-nitro-5-[(E)-phenyliminomethyl]-3-furyl]-2-methoxy-phenol",NA,"COC1=C(C=CC(=C1)C2=C(OC(=C2[N+](=O)[O-])C=NC3=CC=CC=C3)C4=CC(=C(C=C4)O)OC)O","RTEJNTMHKKJOBQ-UHFFFAOYSA-N",3580140,NA,"PDBC24897","657727","Present",NA,NA
+"24898","4-[2-(4-Hydroxy-phenyl)-vinyl]-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(4-Hydroxy-phenyl)-vinyl]-benzenesulfonamide",NA,"C1=CC(=CC=C1C=CC2=CC=C(C=C2)S(=O)(=O)N)O","LPEYCTKZJDNFON-OWOJBTEDSA-N",5472594,NA,"PDBC24898","720354","Present",NA,NA
+"24899","4-[2-(4-Methoxyphenyl)ethenyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline, 4-(p-methoxystyryl)- (8CI)",NA,"COC1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23","WWQSNGMSYOYSOC-RMKNXTFCSA-N",5377590,NA,"PDBC24899","69600","Present",NA,NA
+"24900","4-[2-(4-Methoxyphenyl)ethyl]morpholine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666127",NA,"COC1=CC=C(C=C1)CCN2CCOCC2.Cl","FQIISQTYCPTLAR-UHFFFAOYSA-N",380512,NA,"PDBC24900","666127","Present",NA,NA
+"24901","4-[2-(4-Methylphenyl)hydrazinyl]benzotriazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hit compound, 9",NA,"CC1=CC=C(C=C1)N=NC2=C(C=CC3=NNN=C32)O","LYJIGLUCSHCFJC-UHFFFAOYSA-N",135441716,NA,"PDBC24901","400938","Present",NA,NA
+"24902","4-[2-(4-Nitrophenyl)acetyl]oxybut-2-ynyl 2-(4-nitrophenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"but-2-yne-1,4-diyl bis[(4-nitrophenyl)acetate]",NA,"C1=CC(=CC=C1CC(=O)OCC#CCOC(=O)CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","DAQWKMNEKILVHK-UHFFFAOYSA-N",378996,NA,"PDBC24902","662764","Present",NA,NA
+"24903","4-[2-(5,6-Dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(5,6-Dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,"C1CC2=C(C3=CC=CC=C31)N(C4=CC=CC=C24)CCN5CCOCC5","RQQICBVJVOOZOB-UHFFFAOYSA-N",390894,NA,"PDBC24903","689069","Present",NA,NA
+"24904","4-[2-(5,6-Dioxopyridin-3-yl)hydrazinyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(5,6-Dioxopyridin-3-yl)hydrazinyl]benzenesulfonamide",NA,"C1=CC(=CC=C1N=NC2=CNC(=O)C(=C2)O)S(=O)(=O)N","YAEIFDMGOZPQFZ-UHFFFAOYSA-N",281376,NA,"PDBC24904","134159","Present",NA,NA
+"24905","4-[2-(5-Cyano-6-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(5-Cyano-6-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-ethyl-2,4-dioxopyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide",NA,"CCC1=C(C(=O)NC(=O)N1CCN2CCN(CC2)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C(=C(C(=O)NC4=O)C#N)CC)C#N","UVQBUEWLCDYDFA-UHFFFAOYSA-N",362011,NA,"PDBC24905","625515","Present",NA,NA
+"24906","4-[2-(5-Cyano-6-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-methyl-2,4-dioxopyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(5-Cyano-6-methyl-2,4-dioxopyrimidin-1-yl)ethyl]-N-[6-[[4-[2-(5-cyano-6-methyl-2,4-dioxopyrimidin-1-yl)ethyl]piperazine-1-carbonyl]amino]hexyl]piperazine-1-carboxamide",NA,"CC1=C(C(=O)NC(=O)N1CCN2CCN(CC2)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C(=C(C(=O)NC4=O)C#N)C)C#N","GDJQNRFJAJCAOK-UHFFFAOYSA-N",362010,NA,"PDBC24906","625514","Present",NA,NA
+"24907","4-[2-(6,6-Dimethyl-3-bicyclo[3.1.1]hept-3-enyl)ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(6,6-Dimethylbicyclo[3.1.1]hept-2-en-3-yl)ethyl)morpholine",NA,"CC1(C2CC1C=C(C2)CCN3CCOCC3)C","XCCKSPXZRUJKEI-UHFFFAOYSA-N",386469,NA,"PDBC24907","678495","Present",NA,NA
+"24908","4-[2-(8-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(8-Methoxy-5,6-dihydrobenzo[a]carbazol-11-yl)ethyl]morpholine",NA,"COC1=CC2=C(C=C1)N(C3=C2CCC4=CC=CC=C43)CCN5CCOCC5","MACHPZBLQHWORH-UHFFFAOYSA-N",391532,NA,"PDBC24908","690781","Present",NA,NA
+"24909","4-[2-(Benzenesulfonyl)-2-diazo-acetyl]oxybut-2-ynyl 2-(benzenesulfonyl)-2-diazo-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(Benzenesulfonyl)-2-diazo-acetyl]oxybut-2-ynyl 2-(benzenesulfonyl)-2-diazo-acetate",NA,"C1=CC=C(C=C1)S(=O)(=O)C(=[N+]=[N-])C(=O)OCC#CCOC(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2","FVEMJQGRAKGDDB-UHFFFAOYSA-N",379008,NA,"PDBC24909","662775","Present",NA,NA
+"24910","4-[2-(Cyclopropylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclopropylamino-4-(7-methoxy-2-oxo-3,4-dihydroquinoxa...",NA,"COC1=CC2=C(C=C1)N(CC(=O)N2)C3=NC(=NC4=CC=CC=C43)NC5CC5","FRPPIQVXSWLPGY-UHFFFAOYSA-N",137651044,NA,"PDBC24910","786095","Present",NA,NA
+"24911","4-[2-(Diethylamino)ethyl]-1,11-dimethyl-4-azatricyclo[5.2.2.02,6]undecane-3,5,8-trione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,9-dimethyl-2-[2-(diethylamino)-ethyl]-4,7-ethano-1H-is...",NA,"CCN(CC)CCN1C(=O)C2C3C(CC(C2C1=O)(CC3=O)C)C.Cl","CJXVQDURKPDETC-UHFFFAOYSA-N",24205639,NA,"PDBC24911","736304","Present",NA,NA
+"24912","4-[2-(Dimethylamino)ethylimino]-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Dimethylaminoethylamino)-3,3a-dihydro-1H-thiazolo[4,3-c][1,4]benzodiazepin-10-one",NA,"CN(C)CCN=C1C2CSCN2C(=O)C3=CC=CC=C3N1","UKKLPUCNARPLGD-UHFFFAOYSA-N",135399280,NA,"PDBC24912","683491","Present",NA,NA
+"24913","4-[2-(Dimethylamino)ethylimino]-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(Dimethylamino)ethylimino]-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,"CN(C)CCN=C1C2CSCN2C(=S)C3=CC=CC=C3N1","MXJYUEKPJBHDJO-UHFFFAOYSA-N",135442871,NA,"PDBC24913","683492","Present",NA,NA
+"24914","4-[2-(Dimethylamino)vinyl]benzo[g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]quinoline-5,10-dione, 4-[2-(dimethylamino) ethen...",NA,"CN(C)C=CC1=C2C(=NC=C1)C(=O)C3=CC=CC=C3C2=O","NTLIWPYGVYOIRB-CSKARUKUSA-N",5469342,NA,"PDBC24914","686556","Present",NA,NA
+"24915","4-[2-(Ethylamino)quinazolin-4-yl]-7-methoxy-1,3-dihydroquinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Ethylamino-4-(7-methoxy-2-oxo-3,4-dihydroquinoxalin - ...",NA,"CCNC1=NC2=CC=CC=C2C(=N1)N3CC(=O)NC4=C3C=CC(=C4)OC","XLBSCEPOSNTQJB-UHFFFAOYSA-N",137653815,NA,"PDBC24915","786096","Present",NA,NA
+"24916","4-[2-(Quinolin-6-yl)ethenyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-051/43421285",NA,"C1=CC2=C(C=CC(=C2)C=CC3=CC=C(C=C3)N)N=C1","RQJHZUPUOIVGNP-ONEGZZNKSA-N",5936795,NA,"PDBC24916","79139","Present",NA,NA
+"24917","4-[2-(Quinolin-7-yl)ethenyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-051/43421286",NA,"C1=CC2=C(C=C(C=C2)C=CC3=CC=C(C=C3)N)N=C1","QAQIFRYHRUVXEJ-ONEGZZNKSA-N",5937681,NA,"PDBC24917","79140","Present",NA,NA
+"24918","4-[2-Amino-6-(2-methyl-1H-indol-3-yl)pyrimidin-4-yl]-6-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-Amino-6-(2-methyl-1H-indol-3-yl)pyrimidin-4-yl]-6-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine",NA,"CC1=C(C2=CC=CC=C2N1)C3=NC(=NC(=C3)C4=CC(=NC(=N4)N)C5=C(NC6=CC=CC=C65)C)N","TXGMWEKIVABCRZ-UHFFFAOYSA-N",340803,NA,"PDBC24918","371884","Present",NA,NA
+"24919","4-[2-Amino-6-(3-nitrophenyl)pyrimidin-4-yl]-6-(3-nitrophenyl)pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-bis(3-nitrophenyl)-4,4'-bipyrimidine-2,2'-diamine",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=NC(=N2)N)C3=NC(=NC(=C3)C4=CC(=CC=C4)[N+](=O)[O-])N","GHSPYTWXNOLPEX-UHFFFAOYSA-N",340799,NA,"PDBC24919","371880","Present",NA,NA
+"24920","4-[2-Carboxy-5-[(3-cyanophenyl)carbamoyl]benzoyl]-2-[(3-cyanophenyl)carbamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-Carboxy-5-[(3-cyanophenyl)carbamoyl]benzoyl]-2-[(3-cyanophenyl)carbamoyl]benzoic acid",NA,"C1=CC(=CC(=C1)NC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)NC4=CC=CC(=C4)C#N)C#N","VCLLMLULIOZSIT-UHFFFAOYSA-N",365550,NA,"PDBC24920","633256","Present",NA,NA
+"24921","4-[2-Chloro-2-(3,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboylic dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-Chloro-2-(3,4-dichloro-phenyl)-vinyl]-2,6-dimethyl-...",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C=C(C2=CC(=C(C=C2)Cl)Cl)Cl)C(=O)OC","DPEAWYLALVJGPN-ZSOIEALJSA-N",24205333,NA,"PDBC24921","735167","Present",NA,NA
+"24922","4-[2-Chloro-2-(4-fluorophenyl)vinyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-Chloro-2-(4-fluoro-phenyl)-vinyl]-2,6-dimethyl-1,4-...",NA,"CC1=C(C(C(=C(N1)C)C#N)C=C(C2=CC=C(C=C2)F)Cl)C#N","RNHZSKZFHNXQEG-IDUWFGFVSA-N",11836130,NA,"PDBC24922","735166","Present",NA,NA
+"24923","4-[2-Cyclohexyl-1-[4-(difluoromethoxy)cyclohexyl]-8-methoxyimidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-cyclohexyl-1-[4-(difluoromethoxy)cyclohexyl]-8-meth...",NA,"CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)N=CC4=C3N(C(=N4)C5CCCCC5)C6CCC(CC6)OC(F)F)OC","DQCZEDSCBCCKJB-UHFFFAOYSA-N",122470640,NA,"PDBC24923","782169","Present",NA,NA
+"24924","4-[2-Hydroxy-2-(2-hydroxy-4,6-dimethylcyclohexyl)ethyl]-1-phenylpiperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-Hydroxy-2-(2-hydroxy-4,6-dimethylcyclohexyl)ethyl]-1-phenylpiperidine-2,6-dione",NA,"CC1CC(C(C(C1)O)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)C","JPYMPXICULCYPW-UHFFFAOYSA-N",359829,NA,"PDBC24924","621396","Present",NA,NA
+"24925","4-[2-Hydroxy-2-(2-hydroxy-5-methylcyclohexyl)ethyl]-1-methylpiperidine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-Hydroxy-2-(2-hydroxy-5-methylcyclohexyl)ethyl]-1-methylpiperidine-2,6-dione",NA,"CC1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)C)O)O","PBSIIRNQYORHCK-UHFFFAOYSA-N",359827,NA,"PDBC24925","621394","Present",NA,NA
+"24926","4-[2-Imidazol-1-yl-1-(4-methoxy-benzyloxymethyl)-ethoxymethyl]-benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[2-(1H-imidazol-1-yl)-1-[[(4-methoxyphe...",NA,"COC1=CC=C(C=C1)COCC(CN2C=CN=C2)OCC3=CC=C(C=C3)C(=O)O","HZUHJKIQXMNCDR-UHFFFAOYSA-N",368695,NA,"PDBC24926","639827","Present",NA,NA
+"24927","4-[2-[(2,4-Difluorophenyl)carbamoylamino]quinolin-5-yl]oxy-N-methylpyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-(3-(2,4-difluorophenyl)ureido)quinolin-5-yl)oxy)-N...",NA,"CNC(=O)C1=NC=CC(=C1)OC2=CC=CC3=C2C=CC(=N3)NC(=O)NC4=C(C=C(C=C4)F)F","OJDNIHNKMQKCMK-UHFFFAOYSA-N",142739462,NA,"PDBC24927","780953","Present",NA,NA
+"24928","4-[2-[(2,6-Dichlorophenyl)methylsulfanyl]-4-oxothieno[3,2-d]pyrimidin-3-yl]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-(2,6-dichlorobenzylthio)-4-oxothieno[3,2-d]pyrimidi...",NA,"C1=CC(=C(C(=C1)Cl)CSC2=NC3=C(C(=O)N2CCCC(=O)O)SC=C3)Cl","NUFUXLJPXPEOFQ-UHFFFAOYSA-N",155805412,NA,"PDBC24928","780720","Present",NA,NA
+"24929","4-[2-[(3Z)-3-[(4-Chlorophenyl)methylidene]-5-(4-ethylphenyl)-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{2-[3-(4-Chloro-benzylidene)-5-(4-ethyl-phenyl)-2-oxo-...",NA,"CCC1=CC=C(C=C1)C2=CC(=CC3=CC=C(C=C3)Cl)C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N","WAFVXKZLDXNLPA-QJOMJCCJSA-N",155816774,NA,"PDBC24929","784511","Present",NA,NA
+"24930","4-[2-[(4-Methylphenylsulfonyl)carbamoylamino]ethyl]pyrocatechol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[(4-Methylphenylsulfonyl)carbamoylamino]ethyl]pyrocatechol",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC(=C(C=C2)O)O","NYYUEQQQNDUTBJ-UHFFFAOYSA-N",395828,NA,"PDBC24930","700720","Present",NA,NA
+"24931","4-[2-[1,5-Bis(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[1,5-Bis(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)CSC3=NC=C(N3C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC","SNVMLHLEYXAOEP-UHFFFAOYSA-N",24204076,NA,"PDBC24931","730537","Present",NA,NA
+"24932","4-[2-[2-(1,2,3,4-Tetrahydrocarbazol-9-yl)ethoxy]ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[2-(1,2,3,4-Tetrahydrocarbazol-9-yl)ethoxy]ethyl]morpholine",NA,"C1CCC2=C(C1)C3=CC=CC=C3N2CCOCCN4CCOCC4","FKRKRHIPSUIIKR-UHFFFAOYSA-N",383806,NA,"PDBC24932","672342","Present",NA,NA
+"24933","4-[2-[2-(4-Aminophenyl)ethyldisulfanyl]ethyl]aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[2-(4-Aminophenyl)ethyldisulfanyl]ethyl]aniline;hydrochloride",NA,"C1=CC(=CC=C1CCSSCCC2=CC=C(C=C2)N)N.Cl","ZGTRFKUQRPPUFQ-UHFFFAOYSA-N",400733,NA,"PDBC24933","713166","Present",NA,NA
+"24934","4-[2-[2-(4-Carbamimidoylanilino)ethoxy]ethylamino]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-bis[(4-amidinophenyl)amino]-3-oxapentane dihydrochlo...",NA,"C1=CC(=CC=C1C(=N)N)NCCOCCNC2=CC=C(C=C2)C(=N)N.Cl","JSDJMXJOLQPQAM-UHFFFAOYSA-N",24206088,NA,"PDBC24934","740025","Present",NA,NA
+"24935","4-[2-[2-(4-Hydroxyphenyl)tellanylethylamino]ethyltellanyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[2-(4-Hydroxyphenyl)tellanylethylamino]ethyltellanyl]phenol",NA,"C1=CC(=CC=C1O)[Te]CCNCC[Te]C2=CC=C(C=C2)O","OMXYQZCVUQVOJG-UHFFFAOYSA-N",371625,NA,"PDBC24935","646023","Present",NA,NA
+"24936","4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]benzonitrile",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=C(C=C2)C#N","RZCDFYXPAIMELK-UHFFFAOYSA-N",24205409,NA,"PDBC24936","735438","Present",NA,NA
+"24937","4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[2-(6-Hydroxyhex-1-ynyl)phenyl]ethynyl]phenol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=C(C=C2)O","ZTMMUWGZXNOEOD-UHFFFAOYSA-N",24205412,NA,"PDBC24937","735441","Present",NA,NA
+"24938","4-[2-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]ethylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 4-[3-[2-[2-chloro-4-(4,...",NA,"CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F","AURVLUQOYPAJHS-UHFFFAOYSA-N",276187,NA,"PDBC24938","123469","Present",NA,NA
+"24939","4-[2-[2-Prop-2-enyl-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[2-Prop-2-enyl-4-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)phenyl]iminohydrazinyl]benzoic acid",NA,"C=CCC1=C(C=CC(=C1)C2=NC(=S)NN2)N=NNC3=CC=C(C=C3)C(=O)O","QXDJHBQAKYTEPG-UHFFFAOYSA-N",135426747,NA,"PDBC24939","715978","Present",NA,NA
+"24940","4-[2-[2-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]hydrazinyl]-1,3-thiazol-4-yl]benzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[2-[(5Z)-5-(1,3-Benzodioxol-5-ylmethylidene)-4H-1,3-thiazol-2-yl]hydrazinyl]-1,3-thiazol-4-yl]benzene-1,2-diol",NA,"C1C(=CC2=CC3=C(C=C2)OCO3)SC(=N1)NNC4=NC(=CS4)C5=CC(=C(C=C5)O)O","UEGDLHFZAGTLQE-ACAGNQJTSA-N",6418506,NA,"PDBC24940","657593","Present",NA,NA
+"24941","4-[2-[4-(Diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-N-[4-[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[4-(Diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]-N-[4-[2-[4-(diethylamino)phenyl]-4-oxo-1,3-thiazolidin-3-yl]phenyl]benzamide",NA,"CCN(CC)C1=CC=C(C=C1)C2N(C(=O)CS2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5C(SCC5=O)C6=CC=C(C=C6)N(CC)CC","DPCFACMOQFGJRP-UHFFFAOYSA-N",397141,NA,"PDBC24941","704540","Present",NA,NA
+"24942","4-[2-[4-[3-(4-Chlorophenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[4-[3-(4-Chlorophenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine",NA,"C=C1C2=NC3=CC=CC=C3N2C=C(N1C4=CC=C(C=C4)OCCN5CCOCC5)C6=CC=C(C=C6)Cl","USGMCRSXSSPJHQ-UHFFFAOYSA-N",399072,NA,"PDBC24942","709483","Present",NA,NA
+"24943","4-[2-[4-[3-(4-Methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[4-[3-(4-Methoxyphenyl)-1-methylene-pyrazino[1,2-a]benzimidazol-2-yl]phenoxy]ethyl]morpholine",NA,"COC1=CC=C(C=C1)C2=CN3C4=CC=CC=C4N=C3C(=C)N2C5=CC=C(C=C5)OCCN6CCOCC6","LXORPZDNCDYNIX-UHFFFAOYSA-N",399071,NA,"PDBC24943","709482","Present",NA,NA
+"24944","4-[2-[5-Fluoro-3-[4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{2-[5-Fluoro-1-(2-morpholin-4-yl-ethyl)-1H-indol-3-yl]...",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)F)CCN6CCOCC6","YIISCJMAQKBCLR-UHFFFAOYSA-N",155807114,NA,"PDBC24944","793980","Present",NA,NA
+"24945","4-[2-[Methyl-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[Methyl-[(1S,2R)-2-pyrrolidin-1-ylcyclohexyl]amino]ethyl]aniline hydrochloride",NA,"CN(CCC1=CC=C(C=C1)N)C2CCCCC2N3CCCC3.Cl","QAYFTOGVAYBEIF-GRTNUQQKSA-N",398088,NA,"PDBC24945","707453","Present",NA,NA
+"24946","4-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3,5-Bis(trifluoromethyl)phenyl]-1,2,4-triazole-3,5-dione",NA,"C1=C(C=C(C=C1C(F)(F)F)N2C(=O)N=NC2=O)C(F)(F)F","XYTGQZZBWOWKTA-UHFFFAOYSA-N",391932,NA,"PDBC24946","691612","Present",NA,NA
+"24947","4-[3-(1,3-Benzoxazol-2-yl)-1H-indol-2-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(benzo[d]oxazol-2-yl)-1H-indol-2-yl) phenol",NA,"C1=CC=C2C(=C1)C(=C(N2)C3=CC=C(C=C3)O)C4=NC5=CC=CC=C5O4","GQPGUGOYNGZEEI-UHFFFAOYSA-N",136068403,NA,"PDBC24947","761942","Present",NA,NA
+"24948","4-[3-(1,3-Diphenylpyrazol-4-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(1,3-diphenyl-1H-pyrazol-4-yl)-3-(4-methylphenyl)-4...",NA,"CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)S(=O)(=O)N","LVVXZNFMTRKBQM-UHFFFAOYSA-N",46703499,NA,"PDBC24948","776800","Present",NA,NA
+"24949","4-[3-(1H-Indol-3-yl)-6-thioxo-4,5-dihydro-1H-pyridazin-5-yl]-3-methyl-1,4-dihydropyrazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(1H-Indol-3-yl)-6-thioxo-4,5-dihydro-1H-pyridazin-5-yl]-3-methyl-1,4-dihydropyrazol-5-one",NA,"CC1=NNC(=O)C1C2CC(=NNC2=S)C3=CNC4=CC=CC=C43","YVGSPAVLFMRTFE-UHFFFAOYSA-N",3005332,NA,"PDBC24949","691829","Present",NA,NA
+"24950","4-[3-(2-Hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(2-hydroxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-...",NA,"C1C(N(N=C1C2=CC=CS2)C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4O","ZFBMWUVGZOCNSG-UHFFFAOYSA-N",155811474,NA,"PDBC24950","772680","Present",NA,NA
+"24951","4-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]benzenesulfonamide",NA,"C1=CC(=CC=C1NC(=S)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N","BHRYPOLBQHIEFD-UHFFFAOYSA-N",5470529,NA,"PDBC24951","702685","Present",NA,NA
+"24952","4-[3-(3,4-Dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]-N-pyrazin-2-ylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]-N-pyrazin-2-ylbenzamide",NA,"C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)NC4=NC=CN=C4","JWQQPUFFARWDTJ-UHFFFAOYSA-N",24205286,NA,"PDBC24952","734949","Present",NA,NA
+"24953","4-[3-(4-Chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-(4-chlorophenyl)-1-phenyl-4,5-dihydro-1H-pyrazol-3-...",NA,"C1C(N(N=C1C2=CC=C(C=C2)N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","BDFVHIQTRCJDGQ-UHFFFAOYSA-N",155808391,NA,"PDBC24953","773050","Present",NA,NA
+"24954","4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(4-Chlorophenyl)-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)N)C5=CC=C(C=C5)Cl","ZMJNYMIAQGVLGY-UHFFFAOYSA-N",24204750,NA,"PDBC24954","732731","Present",NA,NA
+"24955","4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(4-Chlorophenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide",NA,"C1C2=CC=CC=C2C3=NN(C(=C31)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)S(=O)(=O)N","BGWIPENYCKLGFA-UHFFFAOYSA-N",24204751,NA,"PDBC24955","732732","Present",NA,NA
+"24956","4-[3-(4-Chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]benzenesulfonamide",NA,"C1=CC(=CC=C1C2=NN(C(=C2)C3=C(C=CC(=C3)O)O)C4=CC=C(C=C4)S(=O)(=O)N)Cl","KAIDEVVTQJWUKU-UHFFFAOYSA-N",135585510,NA,"PDBC24956","731813","Present",NA,NA
+"24957","4-[3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(4-chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]benzenesulfonamide",NA,"COC1=CC(=C(C=C1)OC)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)Cl","FFRBEYUQPOJYOG-UHFFFAOYSA-N",24204421,NA,"PDBC24957","731805","Present",NA,NA
+"24958","4-[3-(4-Chlorophenyl)-5-(2-hydroxy-4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Hydroxy-4-methoxyphenyl)-5-(4-Chlorophenyl)-1-(4-su...",NA,"COC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N)O","UPKHLAYDTZVLHX-UHFFFAOYSA-N",135960834,NA,"PDBC24958","747563","Present",NA,NA
+"24959","4-[3-(4-Methoxyphenyl)-4,9-dioxobenzo[f]benzimidazol-2-yl]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[1-(4-Methoxyphenyl)-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d]imidazol-2-yl]butanoic acid",NA,"COC1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)CCCC(=O)O","YFVZBGDXVGBVPX-UHFFFAOYSA-N",382884,NA,"PDBC24959","670761","Present",NA,NA
+"24960","4-[3-(4-Methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(4-Methylphenyl)-4H-indeno[1,2-c]pyrazol-2-yl]benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C3CC4=CC=CC=C4C3=NN2C5=CC=C(C=C5)S(=O)(=O)N","AVXMUMZPFXCHDZ-UHFFFAOYSA-N",24204768,NA,"PDBC24960","732750","Present",NA,NA
+"24961","4-[3-(Dibutylamino)propyl]-10-methyl-3-phenyl-4H-indolo[3,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(dibutylamino)propyl]-10-methyl-3-phenyl-4H-indolo[...",NA,"CCCCN(CCCC)CCCN1C2=C(N=NN2C3=C(C1=O)C4=CC=CC=C4N3C)C5=CC=CC=C5","IRBIDSSCMZPFBK-UHFFFAOYSA-N",24205298,NA,"PDBC24961","734972","Present",NA,NA
+"24962","4-[3-(Diethylamino)propylamino]-N-(9-ethylcarbazol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(Diethylamino)propylamino]-N-(9-ethylcarbazol-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CCN1C2=C(C=C(C=C2)NC(=O)C3=C(NC(=O)N=C3NCCCN(CC)CC)C)C4=CC=CC=C41","CDMYBDWRCDQGDG-UHFFFAOYSA-N",392188,NA,"PDBC24962","692315","Present",NA,NA
+"24963","4-[3-Chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-Chloro-2-(4-chlorophenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C3=O)Cl)C4=CC=C(C=C4)Cl","KOJQRLDHZSNCTP-UHFFFAOYSA-N",403605,NA,"PDBC24963","718658","Present",NA,NA
+"24964","4-[3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxoazetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C3=O)Cl)C4=CC(=C(C=C4)O)OC","AHWKWGATQGIXES-UHFFFAOYSA-N",403606,NA,"PDBC24964","718659","Present",NA,NA
+"24965","4-[3-Chloro-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-Chloro-2-oxo-4-[(E)-2-phenylethenyl]azetidin-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(C(C3=O)Cl)C=CC4=CC=CC=C4","SBQGZHQEWIAIDO-BUHFOSPRSA-N",5472423,NA,"PDBC24965","718660","Present",NA,NA
+"24966","4-[3-Chloro-6-(1H-indol-3-yl)-4,5-dihydropyridazin-4-yl]-3-methyl-1,4-dihydropyrazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-Chloro-6-(1H-indol-3-yl)-4,5-dihydropyridazin-4-yl]-3-methyl-1,4-dihydropyrazol-5-one",NA,"CC1=NNC(=O)C1C2CC(=NN=C2Cl)C3=CNC4=CC=CC=C43","MDUITUKXEMODLB-UHFFFAOYSA-N",392035,NA,"PDBC24966","691834","Present",NA,NA
+"24967","4-[3-Ethoxycarbonyl-2-methyl-5-(4-nitrophenyl)pyrrol-1-yl]-2-hydroxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-Ethoxycarbonyl-2-methyl-5-(4-nitrophenyl)pyrrol-1-yl]-2-hydroxybenzoic acid",NA,"CCOC(=O)C1=C(N(C(=C1)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC(=C(C=C3)C(=O)O)O)C","TWZMVJGZZBYAKV-UHFFFAOYSA-N",45029113,NA,"PDBC24967","745471","Present",NA,NA
+"24968","4-[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzonitrile",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2OC4=CC=C(C=C4)C#N","KDJCGHYRLYAELA-UHFFFAOYSA-N",388001,NA,"PDBC24968","682364","Present",NA,NA
+"24969","4-[3-[(6Ar)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]but-1-en-2-yl]-N-(2-aminophenyl)-N-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-[(6Ar)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]but-1-en-2-yl]-N-(2-aminophenyl)-N-methylbenzamide",NA,"CC(C(=C)C1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2N)N3C4=CC=CC=C4C(=O)N5CCCC5C3=O","QZLGNGGTBXOXGO-MQBBKVSDSA-N",24205527,NA,"PDBC24969","736100","Present",NA,NA
+"24970","4-[3-[(6Ar)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]prop-1-en-2-yl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-[(6Ar)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]prop-1-en-2-yl]benzoic acid",NA,"C=C(CN1C2=CC=CC=C2C(=O)N3CCCC3C1=O)C4=CC=C(C=C4)C(=O)O","IBVUWCVOSMUGBR-LJQANCHMSA-N",24205529,NA,"PDBC24970","736103","Present",NA,NA
+"24971","4-[3-[(E)-N-Hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-[(E)-N-Hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol",NA,"CC(=NO)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4","YSGKLRLZNFIBON-CVKSISIWSA-N",24205371,NA,"PDBC24971","735322","Present",NA,NA
+"24972","4-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol",NA,"CC(=NOC)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4","YIZACHMFXPPPJM-JVWAILMASA-N",24205372,NA,"PDBC24972","735323","Present",NA,NA
+"24973","4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F","BXXPJERGGYGDPP-UHFFFAOYSA-N",277241,NA,"PDBC24973","125844","Present",NA,NA
+"24974","4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCNC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C","ZJBYSLCJGWDCGS-UHFFFAOYSA-N",274726,NA,"PDBC24974","120925","Present",NA,NA
+"24975","4-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]propanoylamino]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonyl fluoride, 4-[[3-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenyl]-1-oxopropyl]amino]-, monoethanesulfonate (9CI)",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C","YIQWJOQMMAKAOO-UHFFFAOYSA-N",276171,NA,"PDBC24975","123461","Present",NA,NA
+"24976","4-[3-[2-[3-(4-Hydroxybut-2-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]but-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-[2-[3-(4-Hydroxybut-2-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]but-2-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCOCC#CCO)C#CCOCC#CCO","KFKUUUVQNVGLKM-UHFFFAOYSA-N",24204380,NA,"PDBC24976","731648","Present",NA,NA
+"24977","4-[3-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-2-pyrazolin-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(4-(dimethylamino)phenyl)-5-(4-methoxyphenyl)-4,5-d...",NA,"CN(C)C1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)S(=O)(=O)N","UOGQZVTZTMRSJQ-UHFFFAOYSA-N",44143699,NA,"PDBC24977","754832","Present",NA,NA
+"24978","4-[3-[5-Methoxy-3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]propyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{2-[5-Methoxy-1-(3-morpholin-4-yl-propyl)-1H-indol-3-y...",NA,"COC1=CC2=C(C=C1)N(C=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5)CCCN6CCOCC6","XGMRYQLYHMSRBJ-UHFFFAOYSA-N",155816540,NA,"PDBC24978","789184","Present",NA,NA
+"24979","4-[3-[5-[2-(4-Carboxyphenyl)prop-2-enyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-en-2-yl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-[5-[2-(4-Carboxyphenyl)prop-2-enyl]-1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl]prop-1-en-2-yl]benzoic acid",NA,"CN1C(=O)C(C(=O)N(C1=O)C)(CC(=C)C2=CC=C(C=C2)C(=O)O)CC(=C)C3=CC=C(C=C3)C(=O)O","SMEHOWYRRKLGPS-UHFFFAOYSA-N",24205530,NA,"PDBC24979","736104","Present",NA,NA
+"24980","4-[3-[Benzyl(methyl)amino]prop-1-en-2-yl]-N-[4-[3-[benzyl(methyl)amino]prop-1-en-2-yl]phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-[Benzyl(methyl)amino]prop-1-en-2-yl]-N-[4-[3-[benzyl(methyl)amino]prop-1-en-2-yl]phenyl]benzamide",NA,"CN(CC1=CC=CC=C1)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=C)CN(C)CC4=CC=CC=C4","VURHTUCAXQNBRU-UHFFFAOYSA-N",24205283,NA,"PDBC24980","734946","Present",NA,NA
+"24981","4-[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-enoxy]naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{[4,4,4-Trifluoro-3-(trifluoromethyl)but-2-en-1-yl]oxy}naphthalene-1,2-dione",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)OCC=C(C(F)(F)F)C(F)(F)F","OOGQXVQTCYZOFF-UHFFFAOYSA-N",276502,NA,"PDBC24981","124499","Present",NA,NA
+"24982","4-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4,4-Dimethyl-2-(4-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl]morpholine",NA,"CC1=CC=C(C=C1)C2(C3=CC=CC4=C3C(=CC=C4)C(O2)(C)C)N5CCOCC5","BRLBHHZTVVFJQM-UHFFFAOYSA-N",403565,NA,"PDBC24982","718589","Present",NA,NA
+"24983","4-[4,4-Dimethyl-6-[4-(trifluoromethyl)phenyl]-3,5-dihydroimidazo[4,5-e]indazol-2-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4,4-Dimethyl-6-[4-(trifluoromethyl)phenyl]-3,5-dihydroimidazo[4,5-e]indazol-2-yl]phenol",NA,"CC1(CC2=C(C=NN2C3=CC=C(C=C3)C(F)(F)F)C4=C1NC(=N4)C5=CC=C(C=C5)O)C","CQNHABMVUKDEHC-UHFFFAOYSA-N",399254,NA,"PDBC24983","709930","Present",NA,NA
+"24984","4-[4,6-Bis(4-cyano-1,2,5-thiadiazol-3-yl)-1,3,5-triazin-2-yl]-1,2,5-thiadiazole-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4,6-Bis(4-cyano-1,2,5-thiadiazol-3-yl)-1,3,5-triazin-2-yl]-1,2,5-thiadiazole-3-carbonitrile",NA,"C(#N)C1=NSN=C1C2=NC(=NC(=N2)C3=NSN=C3C#N)C4=NSN=C4C#N","XIYCCFAOCMHBJK-UHFFFAOYSA-N",386857,NA,"PDBC24984","679599","Present",NA,NA
+"24985","4-[4,6-Diamino-2-(4-chlorophenyl)-2H-1,3,5-triazin-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4,6-Diamino-2-(4-chlorophenyl)-1,3,5-triazin-1(2H)-yl...",NA,"C1=CC(=CC=C1C2N=C(N=C(N2C3=CC=C(C=C3)S(=O)(=O)N)N)N)Cl","PQCVHDDRCNRMGD-UHFFFAOYSA-N",272645,NA,"PDBC24985","117268","Present",NA,NA
+"24986","4-[4-(1,3-Benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(1,3-benzothiazol-2-yl)-8-methyl-3-oxo-1-thia-4,6,7-triazaspiro[4.4]non-7-en-6-yl]benzenesulfonic acid",NA,"CC1=NN(C2(C1)N(C(=O)CS2)C3=NC4=CC=CC=C4S3)C5=CC=C(C=C5)S(=O)(=O)O","XYCSFNVRMIKZEM-UHFFFAOYSA-N",397248,NA,"PDBC24986","704665","Present",NA,NA
+"24987","4-[4-(2,3-Dihydrofuro[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(2,3-Dihydrofuro[2,3-b]quinolin-4-yloxy)phenyl]butan-2-one",NA,"CC(=O)CCC1=CC=C(C=C1)OC2=C3CCOC3=NC4=CC=CC=C42","KJLIGVYYYRFJGG-UHFFFAOYSA-N",406552,NA,"PDBC24987","724700","Present",NA,NA
+"24988","4-[4-(2-Diethylamino-ethylamino)-naphthalen-1-ylazo]-benzene sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(2-Diethylamino-ethylamino)-naphthalen-1-ylazo]-ben...",NA,"CCN(CC)CCNC1=CC=C(C2=CC=CC=C21)N=NC3=CC=C(C=C3)S(=O)(=O)N","KQJWIJQJDJWTKK-UHFFFAOYSA-N",405486,NA,"PDBC24988","722837","Present",NA,NA
+"24989","4-[4-(2-Dimethylaminoethyloxy)phenyl]-3-phenoxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(2-Dimethylaminoethyloxy)phenyl]-3-phenoxy-chromen-2-one",NA,"CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=CC=CC=C32)OC4=CC=CC=C4","DQZSHZDMLKJXCU-UHFFFAOYSA-N",395149,NA,"PDBC24989","699449","Present",NA,NA
+"24990","4-[4-(2-Dimethylaminoethyloxy)phenyl]-7-methoxy-3-phenoxy-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(2-Dimethylaminoethyloxy)phenyl]-7-methoxy-3-phenoxy-chromen-2-one",NA,"CN(C)CCOC1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC)OC4=CC=CC=C4","TYQNNJLZHAAOEJ-UHFFFAOYSA-N",395151,NA,"PDBC24990","699451","Present",NA,NA
+"24991","4-[4-(3,5-Dicyano-2,6-dihydroxy-1,4-dihydropyridin-4-yl)phenyl]-2,6-dihydroxy-1,4-dihydropyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(3,5-dicyano-2,6-dihydroxy-1,4-dihydropyridin-4-yl)phenyl]-2,6-dihydroxy-1,4-dihydropyridine-3,5-dicarbonitrile",NA,"C1=CC(=CC=C1C2C(=C(NC(=C2C#N)O)O)C#N)C3C(=C(NC(=C3C#N)O)O)C#N","INJYGRLNWITMQL-UHFFFAOYSA-N",367262,NA,"PDBC24991","636809","Present",NA,NA
+"24992","4-[4-(3-Methoxyphenyl)piperazin-1-yl]-5H-pyrrolo[3,2-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(3-Methoxy-phenyl)-piperazin-1 -yl]-5H-pyrrolo[3,2-...",NA,"COC1=CC=CC(=C1)N2CCN(CC2)C3=NC=NC4=C3NC=C4","VHLTXILSFZDVKM-UHFFFAOYSA-N",155815900,NA,"PDBC24992","754824","Present",NA,NA
+"24993","4-[4-(4-Chlorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-2-oxopyran-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(4-Chlorophenyl)piperazin-1-yl]-6-(4-methoxyphenyl)-2-oxo-2H-pyran-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C#N)N3CCN(CC3)C4=CC=C(C=C4)Cl","ZYDZUNWXNWKUMC-UHFFFAOYSA-N",360621,NA,"PDBC24993","622926","Present",NA,NA
+"24994","4-[4-(4-Pyridin-4-ylphenoxy)phenyl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-[Oxybis(4,1-phenylene)]dipyridine",NA,"C1=CC(=CC=C1C2=CC=NC=C2)OC3=CC=C(C=C3)C4=CC=NC=C4","GYAUMGYIJNUMIZ-UHFFFAOYSA-N",399433,NA,"PDBC24994","710272","Present",NA,NA
+"24995","4-[4-(Dibutylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Dibutylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride",NA,"CCCCN(CCCC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl","CJRPCHQWAFGBMM-UHFFFAOYSA-N",24184222,NA,"PDBC24995","33577","Present",NA,NA
+"24996","4-[4-(Diethoxyphosphorylamino)phenyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-4'-((diethoxyphosphoryl)amino)-1,1'-biphenyl",NA,"CCOP(=O)(NC1=CC=C(C=C1)C2=CC=C(C=C2)N)OCC","VJQOMAZWQYXSAU-UHFFFAOYSA-N",392914,NA,"PDBC24996","694097","Present",NA,NA
+"24997","4-[4-(Diethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Diethylamino)benzenecarboximidoyl]-N,N-dimethylaniline;hydrochloride",NA,"CCN(CC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl","ZQATZGWJGHPQTI-UHFFFAOYSA-N",54609218,NA,"PDBC24997","33566","Present",NA,NA
+"24998","4-[4-(Diethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Diethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,"CCN(CC)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3CCC(CC3)O)C4=CC(=C(C(=C4)OC)OC)OC","YYQHKAJBNHVYSL-UHFFFAOYSA-N",60148088,NA,"PDBC24998","753601","Present",NA,NA
+"24999","4-[4-(Diethylamino)phenyl]-2-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Diethylamino)phenyl]-2-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,"CCN(CC)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N3CCOCC3)C4=CC(=C(C(=C4)OC)OC)OC","XUQAUNXRYZECGE-UHFFFAOYSA-N",54613256,NA,"PDBC24999","748668","Present",NA,NA
+"25000","4-[4-(Dimethylamino)phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Dimethylamino)phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)N(C)C)C(=O)NC4=CC=CC=C4OC","JWSRXQLLLYCHGB-UHFFFAOYSA-N",367675,NA,"PDBC25000","637606","Present",NA,NA
+"25001","4-[4-(Methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-(Methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]butan-1-ol",NA,"CNC1=C2C=NN(C2=NC=N1)CCCCO","FSJLWDSYKMSNCZ-UHFFFAOYSA-N",391135,NA,"PDBC25001","689861","Present",NA,NA
+"25002","4-[4-Benzothiazol-2-yl-2-(4-hydroxyphenyl)butan-2-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-Benzothiazol-2-yl-2-(4-hydroxyphenyl)butan-2-yl]phenol",NA,"CC(CCC1=NC2=CC=CC=C2S1)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","IVBASDRKBCHBSP-UHFFFAOYSA-N",234772,NA,"PDBC25002","35334","Present",NA,NA
+"25003","4-[4-Histidine-1-oxobutyl-glicyl]-10-methyl-3-phenyl-4H-indo lo[3,2,3]triazolo[1,5-a]pyrimidin-5(10H)-one methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-Histidine-1-oxobutyl-glicyl]-10-methyl-3-phenyl-4H-...",NA,"CN1C2=CC=CC=C2C3=C1N4C(=C(N=N4)C5=CC=CC=C5)N(C3=O)CCCC(=O)NCC(=O)NC(CC6=CN=CN6)C(=O)OC","BTJLTTHXZICQGJ-UHFFFAOYSA-N",24205304,NA,"PDBC25003","734979","Present",NA,NA
+"25004","4-[4-Hydroxy-3-(methylaminomethyl)-5-prop-2-enylphenyl]-2-(methylaminomethyl)-6-prop-2-enylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-Bis[(methylamino)methyl]-5,5'-di(prop-2-en-1-yl)biphenyl-4,4'-diol",NA,"CNCC1=CC(=CC(=C1O)CC=C)C2=CC(=C(C(=C2)CNC)O)CC=C","BUUTYQNDDUUDJX-UHFFFAOYSA-N",230579,NA,"PDBC25004","25648","Present",NA,NA
+"25005","4-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]anthra[1,2-g]pteridine-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]anthra[1,2-g]pteridine-1,3-dione",NA,"C1C(C(OC1N2C3=NC4=C(C5=CC6=CC=CC=C6C=C5C=C4)N=C3C(=O)NC2=O)CO)O","NGPQAQPGFXJSES-UHFFFAOYSA-N",387292,NA,"PDBC25005","680986","Present",NA,NA
+"25006","4-[4-Methyl-5-(3-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-Methyl-5-(3-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,"CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F","ZHNGVQVGFZPSCO-UHFFFAOYSA-N",382359,NA,"PDBC25006","669829","Present",NA,NA
+"25007","4-[4-Methyl-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-Methyl-5-(4-trifluoromethyl-phenyl)-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,"CN1C(OC(=N1)C2=CC=NC=C2)C3=CC=C(C=C3)C(F)(F)F","GYIAORFPKPYVLG-UHFFFAOYSA-N",382360,NA,"PDBC25007","669830","Present",NA,NA
+"25008","4-[4-Methyl-6-[(4-methyl-2-morpholin-4-ylquinolin-6-yl)methyl]quinolin-2-yl]morpholine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-Methyl-6-[(4-methyl-2-morpholino-6-quinolyl)methyl]-2-quinolyl]morpholine",NA,"CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)N5CCOCC5)N6CCOCC6.Cl","DSTHWDYPNZDVPU-UHFFFAOYSA-N",54603831,NA,"PDBC25008","13726","Present",NA,NA
+"25009","4-[4-N,2,3]Triazolo[1,5-a]pyrimidin-5(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-N,N'-dicyclohexylcarbamidyl-4-oxobutyl]-10-methyl-3...",NA,"CN1C2=CC=CC=C2C3=C1N4C(=C(N=N4)C5=CC=CC=C5)N(C3=O)CCCC(=O)OC(=NC6CCCCC6)NC7CCCCC7","VGRTWBULUUCGKE-UHFFFAOYSA-N",24205297,NA,"PDBC25009","734971","Present",NA,NA
+"25010","4-[4-N,2-e][1,2,3]Triazolo[1,5-a]pyrimidin-5(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-N,N'-dicyclohexylcarbamidyl-1-oxobutyl-glicyl]-10-m...",NA,"CN1C2=CC=CC=C2C3=C1N4C(=C(N=N4)C5=CC=CC=C5)N(C3=O)CCCC(=O)NCC(=O)OC(=NC6CCCCC6)NC7CCCCC7","VJKLMGJDTHEJKA-UHFFFAOYSA-N",24205303,NA,"PDBC25010","734978","Present",NA,NA
+"25011","4-[4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]-N-[4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]-N-[4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]benzamide",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N5C(SCC5=O)C6=CC(=C(C(=C6)OC)OC)OC","YMIWUCXELNHXGB-UHFFFAOYSA-N",397139,NA,"PDBC25011","704538","Present",NA,NA
+"25012","4-[4-[(4-Benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[(4-Benzylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol",NA,"C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN(N=N4)CCCCO","JKAPMTFJFBHHBU-UHFFFAOYSA-N",396575,NA,"PDBC25012","703064","Present",NA,NA
+"25013","4-[4-[(4-Methoxypyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[(4-Methoxypyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol",NA,"COC1=NC=NC2=C1C=NN2CC3=CN(N=N3)CCCCO","FAELBTLRRBUTOE-UHFFFAOYSA-N",396579,NA,"PDBC25013","703068","Present",NA,NA
+"25014","4-[4-[(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[(4-Methylsulfanylpyrazolo[3,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]butan-1-ol",NA,"CSC1=NC=NC2=C1C=NN2CC3=CN(N=N3)CCCCO","STCFMFGGAATXJS-UHFFFAOYSA-N",396574,NA,"PDBC25014","703063","Present",NA,NA
+"25015","4-[4-[(E)-N-Hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[(E)-N-Hydroxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol",NA,"CC(=NO)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4","AQVOIBXLIULZML-CVKSISIWSA-N",24205369,NA,"PDBC25015","735320","Present",NA,NA
+"25016","4-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]anilino]-2-phenylquinolin-8-ol",NA,"CC(=NOC)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3O)C4=CC=CC=C4","DGUQUQGCOQLOPG-JVWAILMASA-N",24205370,NA,"PDBC25016","735321","Present",NA,NA
+"25017","4-[4-[2,6-Dimethyl-3,5-bis(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[2,6-Dimethyl-3,5-bis(phenylcarbamoyl)-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5)C)C)C(=O)NC6=CC=CC=C6)C(=O)NC7=CC=CC=C7","URUXXQCTJFCFMU-UHFFFAOYSA-N",365832,NA,"PDBC25017","633907","Present",NA,NA
+"25018","4-[4-[2,6-Dimethyl-3,5-bis[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[2,6-Dimethyl-3,5-bis[(2-methylphenyl)carbamoyl]-1,4-dihydropyridin-4-yl]phenyl]-2,6-dimethyl-3-N,5-N-bis(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5C)C)C)C(=O)NC6=CC=CC=C6C)C(=O)NC7=CC=CC=C7C)C)C","LUBHFUQJKFZRDL-UHFFFAOYSA-N",365837,NA,"PDBC25018","633912","Present",NA,NA
+"25019","4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butoxy]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCOC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C","JHXDQJJJAKQCFS-UHFFFAOYSA-N",278509,NA,"PDBC25019","128187","Present",NA,NA
+"25020","4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]butylcarbamoyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with p-[[4-[2-chloro-4-(4,6-...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCCNC(=O)C3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C","ITBUXWUKJVGXMF-UHFFFAOYSA-N",276432,NA,"PDBC25020","124232","Present",NA,NA
+"25021","4-[4-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with p-[4-[2-chloro-4-(4,6-d...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)Cl)N)N)C","GHBCEECNIZMRMK-UHFFFAOYSA-N",278062,NA,"PDBC25021","127159","Present",NA,NA
+"25022","4-[4-[3,5-Bis[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[3,5-Bis[(2-methoxyphenyl)carbamoyl]-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=C(C=C3)C4C(=C(NC(=C4C(=O)NC5=CC=CC=C5OC)C)C)C(=O)NC6=CC=CC=C6OC)C(=O)NC7=CC=CC=C7OC","JJZQKBVBBIPVKW-UHFFFAOYSA-N",365845,NA,"PDBC25022","633919","Present",NA,NA
+"25023","4-[4-[3-[4-(1H-Pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]butyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{2-[1-(4-Morpholin-4-yl-butyl)-1H-indol-3-yl]-thiazol-...",NA,"C1COCCN1CCCCN2C=C(C3=CC=CC=C32)C4=NC(=CS4)C5=CNC6=C5C=CC=N6","CMNKNFBOBKVCMU-UHFFFAOYSA-N",155808529,NA,"PDBC25023","789193","Present",NA,NA
+"25024","4-[4-[3-[4-[4-Amino-2-(trifluoromethyl)phenoxy]phenyl]-1-adamantyl]phenoxy]-3-(trifluoromethyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis[4-(2-trifluoromethyl-4-aminphenoxy)phenyl]adaman...",NA,"C1C2CC3(CC1CC(C2)(C3)C4=CC=C(C=C4)OC5=C(C=C(C=C5)N)C(F)(F)F)C6=CC=C(C=C6)OC7=C(C=C(C=C7)N)C(F)(F)F","VHHCGLVSQLNSLN-UHFFFAOYSA-N",397909,NA,"PDBC25024","706834","Present",NA,NA
+"25025","4-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl Fluoride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butanoylamino]benzenesulfonyl Fluoride",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C","VVUOPZCCHACXLH-UHFFFAOYSA-N",270832,NA,"PDBC25025","113918","Present",NA,NA
+"25026","4-[4-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with p-[4-[p-(4,6-diamino-2,...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCC3=CC=C(C=C3)S(=O)(=O)F)N)N)C","KRQMCFVEXGYDGI-UHFFFAOYSA-N",275908,NA,"PDBC25026","123032","Present",NA,NA
+"25027","4-[4-[4-Formyl-1-(p-tolylsulfonyl)pyrrol-3-yl]-1-(p-tolylsulfonyl)pyrrol-3-yl]-1-(p-tolylsulfonyl)pyrrole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[4-Formyl-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-1-(4-methylphenyl)sulfonylpyrrol-3-yl]-1-(4-methylphenyl)sulfonylpyrrole-3-carbaldehyde",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C(=C2)C3=CN(C=C3C4=CN(C=C4C=O)S(=O)(=O)C5=CC=C(C=C5)C)S(=O)(=O)C6=CC=C(C=C6)C)C=O","WJXCHWPRVRZIDC-UHFFFAOYSA-N",386828,NA,"PDBC25027","679536","Present",NA,NA
+"25028","4-[4-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]butanoylamino]-N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","XXZBXMCALOWXBV-NDEPHWFRSA-N",398965,NA,"PDBC25028","709359","Present",NA,NA
+"25029","4-[4-[[3-[[1-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[[3-[[1-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate",NA,"CC(=O)OCCCCN1C=C(N=N1)CN2C=CC(=O)N(C2=O)CC3=CN(N=N3)CCCCOC(=O)C","DAKHMKHTGZDATP-UHFFFAOYSA-N",392026,NA,"PDBC25029","691825","Present",NA,NA
+"25030","4-[4-[[4-(4-Hydroxyphenyl)iminocyclohexylidene]-phenyl-methyl]anilino]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[[4-(4-Hydroxyphenyl)iminocyclohexylidene]-phenyl-methyl]anilino]phenol",NA,"C1CC(=NC2=CC=C(C=C2)O)CCC1=C(C3=CC=CC=C3)C4=CC=C(C=C4)NC5=CC=C(C=C5)O","MAFHCFUQJXUHPU-UHFFFAOYSA-N",392987,NA,"PDBC25030","694229","Present",NA,NA
+"25031","4-[4-[[4-(Benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[[4-(Benzylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]butan-1-ol",NA,"C1=CC=C(C=C1)CNC2=C3C=NN(C3=NC=N2)CC4=CN(N=N4)CCCCO","FDUBNFBJZLRWNL-UHFFFAOYSA-N",396577,NA,"PDBC25031","703066","Present",NA,NA
+"25032","4-[4-[[4-(Methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]butan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[4-[[4-(Methylamino)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]butan-1-ol",NA,"CNC1=C2C=NN(C2=NC=N1)CC3=CN(N=N3)CCCCO","XSXPNJDPUFIBTG-UHFFFAOYSA-N",396576,NA,"PDBC25032","703065","Present",NA,NA
+"25033","4-[5'-(3-Carboxypropanoyl)-6,6'-diethyl-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5'-(3-Carboxypropanoyl)-6,6'-diethyl-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoic acid",NA,"CCC1=C(C=C2CC3(CC2=C1)CC4=CC(=C(C=C4C3)C(=O)CCC(=O)O)CC)C(=O)CCC(=O)O","OAAQWVPVUYSZGV-UHFFFAOYSA-N",382642,NA,"PDBC25033","670290","Present",NA,NA
+"25034","4-[5'-(3-Carboxypropanoyl)-6,6'-dimethyl-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-(5,5'-Dimethyl-1,1',3,3'-tetrahydro-2,2'-spirobi[in...",NA,"CC1=CC2=C(CC3(C2)CC4=C(C3)C=C(C(=C4)C)C(=O)CCC(=O)O)C=C1C(=O)CCC(=O)O","QHNYABPUIBSVSH-UHFFFAOYSA-N",382643,NA,"PDBC25034","670291","Present",NA,NA
+"25035","4-[5,5-Bis(dodecoxymethyl)-1,3-dioxan-2-yl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5,5-Bis(dodecoxymethyl)-1,3-dioxan-2-yl]aniline",NA,"CCCCCCCCCCCCOCC1(COC(OC1)C2=CC=C(C=C2)N)COCCCCCCCCCCCC","HERDGYCVUSCERP-UHFFFAOYSA-N",393135,NA,"PDBC25035","694537","Present",NA,NA
+"25036","4-[5-(1,4-Benzoquinonyl)-3-(4-chlorophenyl)pyrazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[3-(4-Chlorophenyl)-5-(3,6-dioxocyclohexa-1,4-dien-1-yl)pyrazol-1-yl]benzenesulfonamide",NA,"C1=CC(=CC=C1C2=NN(C(=C2)C3=CC(=O)C=CC3=O)C4=CC=C(C=C4)S(=O)(=O)N)Cl","DRJABONNZWUMCN-UHFFFAOYSA-N",24204413,NA,"PDBC25036","731748","Present",NA,NA
+"25037","4-[5-(1,4-Benzoquinonyl)-3-p-tolyl-pyrazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=NN(C(=C2)C3=CC(=O)C=CC3=O)C4=CC=C(C=C4)S(=O)(=O)N","URKDNKMYDJCCMD-UHFFFAOYSA-N",24204410,NA,"PDBC25037","731745","Present",NA,NA
+"25038","4-[5-(1H-Indol-3-yl)-2-oxo-3H-furan-3-yl]-3-methyl-1,4-dihydropyrazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(1H-Indol-3-yl)-2-oxo-3H-furan-3-yl]-3-methyl-1,4-dihydropyrazol-5-one",NA,"CC1=NNC(=O)C1C2C=C(OC2=O)C3=CNC4=CC=CC=C43","NMGCSYOUHTZNJN-UHFFFAOYSA-N",392040,NA,"PDBC25038","691839","Present",NA,NA
+"25039","4-[5-(2,4-Dichloro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(2,4-Dichloro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,"CN1C(OC(=N1)C2=CC=NC=C2)C3=C(C=C(C=C3)Cl)Cl","FLYVBNCFEUSJFX-UHFFFAOYSA-N",382361,NA,"PDBC25039","669831","Present",NA,NA
+"25040","4-[5-(2,5-Dihydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(2,5-dihydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide",NA,"C1=CC=C(C=C1)C2=NN(C(=C2)C3=C(C=CC(=C3)O)O)C4=CC=C(C=C4)S(=O)(=O)N","JGVJTXTUUVAGRN-UHFFFAOYSA-N",135585507,NA,"PDBC25040","731810","Present",NA,NA
+"25041","4-[5-(2,5-Dimethoxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(2,5-dimethoxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide",NA,"COC1=CC(=C(C=C1)OC)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4","GKKOHFNFILFMOY-UHFFFAOYSA-N",24204420,NA,"PDBC25041","731804","Present",NA,NA
+"25042","4-[5-(2-Fluoro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(2-Fluoro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,"CN1C(OC(=N1)C2=CC=NC=C2)C3=CC=CC=C3F","XMEPQIBLZBGBTL-UHFFFAOYSA-N",382357,NA,"PDBC25042","669827","Present",NA,NA
+"25043","4-[5-(3,4-Dichloro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(3,4-Dichloro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,"CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)Cl)Cl","GXTUBWJNQSMKQQ-UHFFFAOYSA-N",382362,NA,"PDBC25043","669832","Present",NA,NA
+"25044","4-[5-(3,4-Dimethoxy-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(3,4-Dimethoxy-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,"CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)OC)OC","UGOAZFTURQHSCA-UHFFFAOYSA-N",382363,NA,"PDBC25044","669833","Present",NA,NA
+"25045","4-[5-(3,4-Dimethoxyphenyl)-2-(3,4,5-trimethoxybenzoyl)-3,4-dihydro-2H-pyrazol-3-yl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(3,4-Dimethoxyphenyl)-2-(3,4,5-trimethoxybenzoyl)-3...",NA,"COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)C#N)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","MURGIROGZCWTKA-UHFFFAOYSA-N",60147774,NA,"PDBC25045","752398","Present",NA,NA
+"25046","4-[5-(3,5-Dichlorophenyl)thiophen-2-yl]benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782011",NA,"C1=CC(=CC=C1C2=CC=C(S2)C3=CC(=CC(=C3)Cl)Cl)C(=N)N","MTQCTKUZWFFJJW-UHFFFAOYSA-N",137633112,NA,"PDBC25046","782011","Present",NA,NA
+"25047","4-[5-(3,5-Dihydropyrazol-1-yl]-N-carbamoylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(3,5-bis(trifluoromethyl)phenyl)-3-(trifluoromethyl...",NA,"C1C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NC(=O)N)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","VRHDSMAPPIMGKO-UHFFFAOYSA-N",45029311,NA,"PDBC25047","746098","Present",NA,NA
+"25048","4-[5-(3,5-Dimethoxyphenyl)thiophen-2-yl]benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782010",NA,"COC1=CC(=CC(=C1)C2=CC=C(S2)C3=CC=C(C=C3)C(=N)N)OC","TZXWJBNPRNXSTH-UHFFFAOYSA-N",137631435,NA,"PDBC25048","782010","Present",NA,NA
+"25049","4-[5-(3-Fluoro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(3-Fluoro-phenyl)-4-methyl-4,5-dihydro-[1,3,4]oxadiazol-2-yl]-pyridine",NA,"CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=CC=C3)F","DYWOOPBDKMDOHC-UHFFFAOYSA-N",382358,NA,"PDBC25049","669828","Present",NA,NA
+"25050","4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide; 2-hydroxyethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PENTAMIDINE ISETHIONATE///NSC757400",NA,"C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O","NYRHYBFMOOPIRI-UHFFFAOYSA-N",359323,NA,"PDBC25050","620107///757400","Present",NA,NA
+"25051","4-[5-(4-Chlorophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-7-yl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-(4-chlorophenyl)-5H-thiazolo[3,2-a]pyrimidin-7-yl)a...",NA,"C1=CC(=CC=C1C2C=C(N=C3N2C=CS3)C4=CC=C(C=C4)N)Cl","DXIXQDDLWTTWGM-UHFFFAOYSA-N",155806710,NA,"PDBC25051","765911","Present",NA,NA
+"25052","4-[5-(4-Fluorophenyl)thiophen-2-yl]benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782012",NA,"C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(C=C3)F)C(=N)N","OOBDIZGEBQWOEF-UHFFFAOYSA-N",137643263,NA,"PDBC25052","782012","Present",NA,NA
+"25053","4-[5-(5,7-Difluoro-1H-indol-3-yl)-1H-tetraazol-1-yl]phenyl methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Difluoro-3-[1-(4-methoxy-phenyl)-1H-tetrazol-5-yl]-1...",NA,"COC1=CC=C(C=C1)N2C(=NN=N2)C3=CNC4=C3C=C(C=C4F)F","YGKXWDVYATVVPU-UHFFFAOYSA-N",135488361,NA,"PDBC25053","735174","Present",NA,NA
+"25054","4-[5-(Phenyl)-3-(methylselenocyanide) pyrazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(phenyl)-3-(methylselenocyanide) pyrazol-1-yl]benze...",NA,"C1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C[Se]C#N","IGBJWNFJSAPHDY-UHFFFAOYSA-N",24770674,NA,"PDBC25054","750100","Present",NA,NA
+"25055","4-[5-(Thiophen-2-YL)furan-2-YL]benzamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766345",NA,"C1=CSC(=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N","JMZXONZXMMRWAZ-UHFFFAOYSA-N",76315600,NA,"PDBC25055","766345","Present",NA,NA
+"25056","4-[5-[3-(4-Hydroxyphenyl)isoxazol-5-yl]isoxazol-3-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 4,4'-(5,5'-biisoxazole-3,3'-diyl)bis-",NA,"C1=CC(=CC=C1C2=NOC(=C2)C3=CC(=NO3)C4=CC=C(C=C4)O)O","FENPYQKUQYDICF-UHFFFAOYSA-N",386651,NA,"PDBC25056","679108","Present",NA,NA
+"25057","4-[5-[4-(5-Pyridin-4-ylfuran-2-yl)phenyl]furan-2-yl]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-[4-[5-(4-Pyridyl)-2-furyl]phenyl]-2-furyl]pyridine",NA,"C1=CC(=CC=C1C2=CC=C(O2)C3=CC=NC=C3)C4=CC=C(O4)C5=CC=NC=C5","JEUTWEAYQYYYBF-UHFFFAOYSA-N",399432,NA,"PDBC25057","710271","Present",NA,NA
+"25058","4-[5-[8-(5-Morpholino-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazol-2-yl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-[8-(5-Morpholino-1,3,4-oxadiazol-2-yl)octyl]-1,3,4-oxadiazol-2-yl]morpholine",NA,"C1COCCN1C2=NN=C(O2)CCCCCCCCC3=NN=C(O3)N4CCOCC4","UUMDYLZGADOCMC-UHFFFAOYSA-N",394065,NA,"PDBC25058","697183","Present",NA,NA
+"25059","4-[5-[[3-[[3-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-[[3-[[3-(4-Acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]methyl]triazol-1-yl]butyl acetate",NA,"CC(=O)OCCCCN1C(=CN=N1)CN2C=CC(=O)N(C2=O)CC3=CN=NN3CCCCOC(=O)C","IEYRVVPANVPJNX-UHFFFAOYSA-N",392027,NA,"PDBC25059","691826","Present",NA,NA
+"25060","4-[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]butyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{[6-(2-Fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8-yl]oxy}butanoic acid",NA,"C1OC2=C(O1)C=C3C(=C2)C(=CC(=N3)C4=CC=CC=C4F)OCCCC(=O)O","NTFGUMGSLPDPCZ-UHFFFAOYSA-N",388495,NA,"PDBC25060","683478","Present",NA,NA
+"25061","4-[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]butyric acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-{[6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8-yl]oxy}butanoate",NA,"CCOC(=O)CCCOC1=CC(=NC2=CC3=C(C=C21)OCO3)C4=CC=CC=C4F","SXJPAUFFSLFCNK-UHFFFAOYSA-N",388496,NA,"PDBC25061","683479","Present",NA,NA
+"25062","4-[6-(2-Isopropylidenehydrazino)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]-2,6-dimethoxy-phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethoxy-4-[7-methyl-6-(2-propan-2-ylidenehydrazinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl]phenol",NA,"CC1C(C2=CC3=C(C=C2OC1NN=C(C)C)OCO3)C4=CC(=C(C(=C4)OC)O)OC","YUBASNZYWLTYMW-UHFFFAOYSA-N",383137,NA,"PDBC25062","671178","Present",NA,NA
+"25063","4-[6-(3,5-Dioxo-1,2,4-triazolidin-4-yl)hexyl]-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-hexane-1,6-diylbis(1,2,4-triazolidine-3,5-dione)",NA,"C(CCCN1C(=O)NNC1=O)CCN2C(=O)NNC2=O","ZDOGUWIVRFSTHQ-UHFFFAOYSA-N",392326,NA,"PDBC25063","692602","Present",NA,NA
+"25064","4-[6-(4-Fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[6-(4-Fluoro-3-phenoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol",NA,"C1=CC=C(C=C1)OC2=C(C=CC(=C2)C3=NN4C(=NN=C4S3)C5=CC=C(C=C5)O)F","IYEWNQRTRQMJNK-UHFFFAOYSA-N",135585388,NA,"PDBC25064","726267","Present",NA,NA
+"25065","4-[6-(4-Fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[6-(4-Fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]phenol",NA,"C1=CC(=CC=C1C2=NN=C3N2N=C(S3)C4=CC=C(C=C4)F)O","RBWBUHCIBBWHHG-UHFFFAOYSA-N",135585387,NA,"PDBC25065","726266","Present",NA,NA
+"25066","4-[6-(4-Hydroxyphenyl)hexyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 4,4'-(1,6-hexanediyl)bis-",NA,"C1=CC(=CC=C1CCCCCCC2=CC=C(C=C2)O)O","AYADRHKBOQJWQG-UHFFFAOYSA-N",90481,NA,"PDBC25066","19781","Present",NA,NA
+"25067","4-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[6-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine",NA,"CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)N5CCOCC5","WFJIDFUCJINXPL-UHFFFAOYSA-N",382367,NA,"PDBC25067","669886","Present",NA,NA
+"25068","4-[6-[3-[2-(4-Aminophenyl)benzo[h]quinazolin-6-yl]phenyl]benzo[h]quinazolin-2-yl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[6-[3-[2-(4-Aminophenyl)benzo[h]quinazolin-6-yl]phenyl]benzo[h]quinazolin-2-yl]aniline",NA,"C1=CC=C2C(=C1)C(=CC3=CN=C(N=C23)C4=CC=C(C=C4)N)C5=CC(=CC=C5)C6=CC7=CN=C(N=C7C8=CC=CC=C86)C9=CC=C(C=C9)N","XRBLHBVVCHHNIC-UHFFFAOYSA-N",389831,NA,"PDBC25068","686463","Present",NA,NA
+"25069","4-[6-[[2-(4-Aminophenyl)-1,3-benzoxazol-6-yl]methyl]-1,3-benzoxazol-2-yl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[6-[[2-(4-Aminophenyl)-1,3-benzoxazol-6-yl]methyl]-1,3-benzoxazol-2-yl]aniline",NA,"C1=CC(=CC=C1C2=NC3=C(O2)C=C(C=C3)CC4=CC5=C(C=C4)N=C(O5)C6=CC=C(C=C6)N)N","WRXMSGVSOCIFMR-UHFFFAOYSA-N",392993,NA,"PDBC25069","694235","Present",NA,NA
+"25070","4-[7-(4-Methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo[5,4-e]isoindol-6-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[7-(4-methoxybenzyl)-4,5,7,8b-tetrahydro-3aH-isoxazolo...",NA,"COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=C(C=C4)O)CCC5=C3ON=C5","QKENMXFXGQVOQT-UHFFFAOYSA-N",60148278,NA,"PDBC25070","754084","Present",NA,NA
+"25071","4-[7-Chloro-2-(cyclohexylmethyl)-1,3-dioxo-5H-pyrrolo[3,4-b][1,4]benzoxazepin-4-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-chloro-2-(cyclohexylmethyl)-1,3-dioxo-2,3-dihydro-1...",NA,"C1CCC(CC1)CN2C(=O)C3=C(C2=O)OC4=C(CN3C5=CC=C(C=C5)S(=O)(=O)N)C=C(C=C4)Cl","CMMMDTNBMHRIGG-UHFFFAOYSA-N",155811858,NA,"PDBC25071","789275","Present",NA,NA
+"25072","4-[7-Chloro-2-[(4-fluorophenyl)methyl]-1,3-dioxo-5H-pyrrolo[3,4-b][1,4]benzoxazepin-4-yl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(7-chloro-2-(4-fluorobenzyl)-1,3-dioxo-2,3-dihydro-1H-...",NA,"C1C2=C(C=CC(=C2)Cl)OC3=C(N1C4=CC=C(C=C4)C#N)C(=O)N(C3=O)CC5=CC=C(C=C5)F","HJNSQTAZKHMMIJ-UHFFFAOYSA-N",155810791,NA,"PDBC25072","789279","Present",NA,NA
+"25073","4-[7-Ethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[7-Ethyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine",NA,"CCC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","HLELSJUVHXKFBA-UHFFFAOYSA-N",382366,NA,"PDBC25073","669885","Present",NA,NA
+"25074","4-[8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[8-(3-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]morpholine",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCOCC4)OCO3)C5=CC(=CC=C5)OC","ZQNFTINNMOXUHL-UHFFFAOYSA-N",382370,NA,"PDBC25074","669889","Present",NA,NA
+"25075","4-[Bis(1H-pyrrol-2-yl)methyl]-6-methoxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(di(1H-pyrrol-2-yl)methyl)-6-methoxy-2H-chromen-2-one",NA,"COC1=CC2=C(C=C1)OC(=O)C=C2C(C3=CC=CN3)C4=CC=CN4","SOEWKZHDGLLZRP-UHFFFAOYSA-N",155810199,NA,"PDBC25075","788353","Present",NA,NA
+"25076","4-[Bis(2-chloroethyl)amino]-2-chlorobenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-chloroethyl)amino]-2-chlorobenzaldehyde",NA,"C1=CC(=C(C=C1N(CCCl)CCCl)Cl)C=O","HKSLIEMSMQTDPW-UHFFFAOYSA-N",251946,NA,"PDBC25076","73019","Present",NA,NA
+"25077","4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-chlorophenyl)iminobenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-chlorophenyl)iminobenzenecarboximidamide",NA,"C1=CC(=CC=C1C(=NC2=CC=C(C=C2)Cl)N=NC3=CC=C(C=C3)Cl)N(CCC#N)CCC#N","UEDOFBICVNZPMF-UHFFFAOYSA-N",396705,NA,"PDBC25077","703313","Present",NA,NA
+"25078","4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide",NA,"COC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N(CCC#N)CCC#N","OUFIHLWQGWRMDT-UHFFFAOYSA-N",396704,NA,"PDBC25078","703312","Present",NA,NA
+"25079","4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide",NA,"CC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N(CCC#N)CCC#N","QRCZJAIWEUGRLQ-UHFFFAOYSA-N",396703,NA,"PDBC25079","703311","Present",NA,NA
+"25080","4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-phenyliminobenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N'-(4-chlorophenyl)-N-phenyliminobenzenecarboximidamide",NA,"C1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)N(CCC#N)CCC#N","GFXGMUWGQGZSHB-UHFFFAOYSA-N",396702,NA,"PDBC25080","703310","Present",NA,NA
+"25081","4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-(4-methoxyphenyl)iminobenzenecarboximidamide",NA,"COC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)F)C3=CC=C(C=C3)N(CCC#N)CCC#N","IBAKRNCCQZXEIW-UHFFFAOYSA-N",396700,NA,"PDBC25081","703308","Present",NA,NA
+"25082","4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-(4-methylphenyl)iminobenzenecarboximidamide",NA,"CC1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)F)C3=CC=C(C=C3)N(CCC#N)CCC#N","UWVURSBDMCYKGX-UHFFFAOYSA-N",396699,NA,"PDBC25082","703307","Present",NA,NA
+"25083","4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenyliminobenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N'-(4-fluorophenyl)-N-phenyliminobenzenecarboximidamide",NA,"C1=CC=C(C=C1)N=NC(=NC2=CC=C(C=C2)F)C3=CC=C(C=C3)N(CCC#N)CCC#N","LFANCJKRADTESB-UHFFFAOYSA-N",396698,NA,"PDBC25083","703306","Present",NA,NA
+"25084","4-[Bis(2-cyanoethyl)amino]-N'-phenyl-N-phenyliminobenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N'-phenyl-N-phenyliminobenzenecarboximidamide",NA,"C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)N(CCC#N)CCC#N)N=NC3=CC=CC=C3","STRGOGGILWRIHK-UHFFFAOYSA-N",396694,NA,"PDBC25084","703302","Present",NA,NA
+"25085","4-[Bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-(4-fluorophenyl)benzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-(4-fluorophenyl)benzenecarboximidamide",NA,"C1=CC(=CC=C1C(=NC2=CC=C(C=C2)F)N=NC3=CC=C(C=C3)Cl)N(CCC#N)CCC#N","QCCJIZQNKZPYOX-UHFFFAOYSA-N",396701,NA,"PDBC25085","703309","Present",NA,NA
+"25086","4-[Bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-phenylbenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N-(4-chlorophenyl)imino-N'-phenylbenzenecarboximidamide",NA,"C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)N(CCC#N)CCC#N)N=NC3=CC=C(C=C3)Cl","RRGAASHOMFXTJU-UHFFFAOYSA-N",396697,NA,"PDBC25086","703305","Present",NA,NA
+"25087","4-[Bis(2-cyanoethyl)amino]-N-(4-methoxyphenyl)imino-N'-phenylbenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N-(4-methoxyphenyl)imino-N'-phenylbenzenecarboximidamide",NA,"COC1=CC=C(C=C1)N=NC(=NC2=CC=CC=C2)C3=CC=C(C=C3)N(CCC#N)CCC#N","JERBJMMTWSSVPS-UHFFFAOYSA-N",396696,NA,"PDBC25087","703304","Present",NA,NA
+"25088","4-[Bis(2-cyanoethyl)amino]-N-(4-methylphenyl)imino-N'-phenylbenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]-N-(4-methylphenyl)imino-N'-phenylbenzenecarboximidamide",NA,"CC1=CC=C(C=C1)N=NC(=NC2=CC=CC=C2)C3=CC=C(C=C3)N(CCC#N)CCC#N","QTCGZTCYUZSYCW-UHFFFAOYSA-N",396695,NA,"PDBC25088","703303","Present",NA,NA
+"25089","4-[Bis(2-cyanoethyl)amino]benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-cyanoethyl)amino]benzohydrazide",NA,"C1=CC(=CC=C1C(=O)NN)N(CCC#N)CCC#N","FDMRJJZVAWYADN-UHFFFAOYSA-N",370456,NA,"PDBC25089","643587","Present",NA,NA
+"25090","4-[Bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoic acid",NA,"CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C(=O)O","WJBDAOKXAVQKTI-UHFFFAOYSA-N",45027887,NA,"PDBC25090","733609","Present",NA,NA
+"25091","4-[Bis(4-hydroxy-2-oxo-chromen-3-yl)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(4-hydroxy-2-oxo-chromen-3-yl)methyl]benzoic acid",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)C(=O)O)C4=C(C5=CC=CC=C5OC4=O)O)O","CSJVCXMPCBECQX-UHFFFAOYSA-N",54695483,NA,"PDBC25091","689410","Present",NA,NA
+"25092","4-[Bis(4-hydroxyphenyl)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leucoaurine",NA,"C1=CC(=CC=C1C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)O","WFCQTAXSWSWIHS-UHFFFAOYSA-N",69047,NA,"PDBC25092","75955","Present",NA,NA
+"25093","4-[Bis(methylsulfanyl)methylene]-3-methyl-1H-pyrazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(methylsulfanyl)methylene]-3-methyl-1H-pyrazol-5-one",NA,"CC1=NNC(=O)C1=C(SC)SC","ZUDDHZHYVDECAY-UHFFFAOYSA-N",390310,NA,"PDBC25093","687602","Present",NA,NA
+"25094","4-[Bis(methylsulfanyl)methylene]-5-methylsulfanyl-2-phenyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Bis(methylsulfanyl)methylene]-5-methylsulfanyl-2-phenyl-pyrazol-3-one",NA,"CSC1=NN(C(=O)C1=C(SC)SC)C2=CC=CC=C2","NJEYDNKKBDHAJX-UHFFFAOYSA-N",392142,NA,"PDBC25094","692022","Present",NA,NA
+"25095","4-[C-(4-Hydroxyphenyl)-N-(5-methoxy-2,4-dinitroanilino)carbonimidoyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[C-(4-Hydroxyphenyl)-N-(5-methoxy-2,4-dinitroanilino)carbonimidoyl]phenol",NA,"COC1=C(C=C(C(=C1)NN=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[N+](=O)[O-])[N+](=O)[O-]","PXODVGTXWYAPQO-UHFFFAOYSA-N",135958518,NA,"PDBC25095","746314","Present",NA,NA
+"25096","4-[C-(4-Hydroxyphenyl)-N-(5-methyl-2,4-dinitroanilino)carbonimidoyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[C-(4-Hydroxyphenyl)-N-(5-methyl-2,4-dinitroanilino)carbonimidoyl]phenol",NA,"CC1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O","CXQDOHAWNAQZAU-UHFFFAOYSA-N",135958516,NA,"PDBC25096","746310","Present",NA,NA
+"25097","4-[Hydroxy(diphenyl)methyl]naphthalen-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Hydroxy(diphenyl)methyl]naphthalen-1-ol",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C4=CC=CC=C43)O)O","IUMOCCIEKFOXCO-UHFFFAOYSA-N",344348,NA,"PDBC25097","401210","Present",NA,NA
+"25098","4-[Hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Hydroxy(diphenyl)methyl]tricyclo[4.3.0.03,7]nonan-2-ol",NA,"C1CC2C3C1C(C2O)C(C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)O","XWSHAONUVZUKOY-UHFFFAOYSA-N",380720,NA,"PDBC25098","666426","Present",NA,NA
+"25099","4-[N-(2,4-Dinitro-5-pyrrolidin-1-ylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[N-(2,4-Dinitro-5-pyrrolidin-1-ylanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol",NA,"C1CCN(C1)C2=C(C=C(C(=C2)NN=C(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O)[N+](=O)[O-])[N+](=O)[O-]","CHJBAQRASCKQQS-UHFFFAOYSA-N",135958517,NA,"PDBC25099","746312","Present",NA,NA
+"25100","4-[N-(4-Phenylazophenylthiocarbamoyl)]-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[N-(4-Phenylazophenylthiocarbamoyl)]-butanoic acid",NA,"C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NC(=O)SCCCC(=O)O","AGHWIWXBCPJTNK-UHFFFAOYSA-N",363910,NA,"PDBC25100","629299","Present",NA,NA
+"25101","4-[N-(5-Amino-2,4-dinitroanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[N-(5-Amino-2,4-dinitroanilino)-C-(4-hydroxyphenyl)carbonimidoyl]phenol",NA,"C1=CC(=CC=C1C(=NNC2=C(C=C(C(=C2)N)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)O)O","CBOIJWMZQJUVRM-UHFFFAOYSA-N",135958519,NA,"PDBC25101","746315","Present",NA,NA
+"25102","4-[N-(Benzenesulfonyl)-S-(4-carbamoylphenyl)sulfonimidoyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[N-(Benzenesulfonyl)-S-(4-carbamoylphenyl)sulfonimidoyl]benzamide",NA,"C1=CC=C(C=C1)S(=O)(=O)N=S(=O)(C2=CC=C(C=C2)C(=O)N)C3=CC=C(C=C3)C(=O)N","IGHXXGQHMGYMAY-UHFFFAOYSA-N",375368,NA,"PDBC25102","655034","Present",NA,NA
+"25103","4-[N-Formyl-N-(4-methylphenyl)amino]-5,7-dinitro-benzofurazan 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[N-Formyl-N-(4-methylphenyl)amino]-5,7-dinitro- benzof...",NA,"CC1=CC=C(C=C1)N(C=O)C2=C(C=C(C3=NC[N+](=C23)[O-])[N+](=O)[O-])[N+](=O)[O-]","DUVAWSIHXJCBJB-UHFFFAOYSA-N",368572,NA,"PDBC25103","639666","Present",NA,NA
+"25104","4-[N-Sulfamoyl-3,5-bis(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[N-Sulfamoyl-3,5-bis(trifluoromethyl)anilino]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidine",NA,"C1CN(CCC1N(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)S(=O)(=O)N)CC3=CC=C(C=C3)C(F)(F)F","WQKNWHNZAYMWQL-UHFFFAOYSA-N",54613153,NA,"PDBC25104","750774","Present",NA,NA
+"25105","4-[N-[2,4-Dinitro-5-(trifluoromethyl)anilino]-C-(4-hydroxyphenyl)carbonimidoyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[N-[2,4-Dinitro-5-(trifluoromethyl)anilino]-C-(4-hydroxyphenyl)carbonimidoyl]phenol",NA,"C1=CC(=CC=C1C(=NNC2=C(C=C(C(=C2)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)O)O","XBSKDKJSABNKHZ-UHFFFAOYSA-N",135545837,NA,"PDBC25105","746313","Present",NA,NA
+"25106","4-[N-[5-(Dimethylamino)-2,4-dinitroanilino]-C-(4-hydroxyphenyl)carbonimidoyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[N-[5-(Dimethylamino)-2,4-dinitroanilino]-C-(4-hydroxyphenyl)carbonimidoyl]phenol",NA,"CN(C)C1=C(C=C(C(=C1)NN=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)[N+](=O)[O-])[N+](=O)[O-]","MYPAPGDYXKSCPM-UHFFFAOYSA-N",135958520,NA,"PDBC25106","746316","Present",NA,NA
+"25107","4-[Propan-3-ol)aminopyrazolo[3,4-d]pyrimidin-6-thion",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[propan-3-ol)aminopyrazolo[3,4-d]pyrimidin-6-thion",NA,"C1=NNC2=C1C(=NC(=S)N2)NCCCO","ONEMXFJPXWGNBZ-UHFFFAOYSA-N",135436401,NA,"PDBC25107","722958","Present",NA,NA
+"25108","4-[Tert-butyl(methyl)carbamoyl]cubane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[Tert-butyl(methyl)carbamoyl]cubane-1-carboxylic acid",NA,"CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C(=O)O","ISMZDXJDNNRLTK-UHFFFAOYSA-N",386905,NA,"PDBC25108","679805","Present",NA,NA
+"25109","4-[[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]amino]benzoic acid",NA,"C1=CC=C2C(=C1)N=NN2C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O","VPYDDUXXJOZHTI-JQIJEIRASA-N",5470196,NA,"PDBC25109","698375","Present",NA,NA
+"25110","4-[[(1R,5R,9R,10S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]cyclohexan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(1R,5R,9R,10S,13R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]cyclohexan-1-ol",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC5CCC(CC5)O)C","BDVPLUOVTKCZSI-UNVWAPBTSA-N",54611790,NA,"PDBC25110","716242","Present",NA,NA
+"25111","4-[[(2-Naphthalen-2-ylacetyl)amino]methyl]-N-(2-phenylethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(2-Naphthalen-2-ylacetyl)amino]methyl]-N-(2-phenylethyl)benzamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)CC3=CC4=CC=CC=C4C=C3","MGMNGVNIPCGJMU-UHFFFAOYSA-N",396313,NA,"PDBC25111","702103","Present",NA,NA
+"25112","4-[[(2E)-5-(4-Chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-cyanophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(2E)-5-(4-Chlorophenyl)-2-[4-(4-chlorophenyl)-5-[(4-cyanophenyl)methylsulfanyl]-1,3-dithiol-2-ylidene]-1,3-dithiol-4-yl]sulfanylmethyl]benzonitrile",NA,"C1=CC(=CC=C1CSC2=C(SC(=C3SC(=C(S3)SCC4=CC=C(C=C4)C#N)C5=CC=C(C=C5)Cl)S2)C6=CC=C(C=C6)Cl)C#N","RYHVFUAVXHVWBI-JEIPZWNWSA-N",3004935,NA,"PDBC25112","664021","Present",NA,NA
+"25113","4-[[(3-Amino-2-phenylquinoxaline-6-yl)methyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{[(3-Amino-2-phenylquinoxalin-6-yl)methyl]amino}benzoic acid",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)CNC4=CC=C(C=C4)C(=O)O)N=C2N","VKJYCGOMVZQVLV-UHFFFAOYSA-N",380468,NA,"PDBC25113","666064","Present",NA,NA
+"25114","4-[[(3E)-3-[(4-Methoxyphenyl)methylidene]-2-oxocyclopentyl]methylamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(3E)-3-[(4-Methoxyphenyl)methylidene]-2-oxocyclopentyl]methylamino]benzenesulfonamide",NA,"COC1=CC=C(C=C1)C=C2CCC(C2=O)CNC3=CC=C(C=C3)S(=O)(=O)N","IPSNMSUXQQGRPK-NTCAYCPXSA-N",5467976,NA,"PDBC25114","661236","Present",NA,NA
+"25115","4-[[(3R,4R,6R)-3-Hydroxy-2-methyl-16,18-dioxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]oxy]-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(((5S,6R,7S,9R)-6-hydroxy-5-methyl-14,16-dioxo-5,6,7,8...",NA,"CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)NC6=O)OC(=O)CCC(=O)O)O","FTXDUBGTSHBHQN-QDHRRFRGSA-N",155815173,NA,"PDBC25115","790649","Present",NA,NA
+"25116","4-[[(4S)-2-Oxo-1,3-oxazolidin-4-yl]methoxy]benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(4s)-2-Oxooxazolidin-4-yl]methoxy]benzaldehyde",NA,"C1C(NC(=O)O1)COC2=CC=C(C=C2)C=O","FNSPRXCNQYSPRZ-VIFPVBQESA-N",397419,NA,"PDBC25116","705165","Present",NA,NA
+"25117","4-[[(4S,9Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-6,7-dimethoxy-1-oxo-3a,4,9,9a-tetrahydro-3H-benzo[f][2]benzofuran-4-yl]amino]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzonitrile, 4-[[1,3,3a,4,9,9a-hexahydro-9-(4-hydroxy- ...",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC(=C(C=C24)OC)OC)NC5=CC=C(C=C5)C#N","WGEAIKSPJFUISL-WXIMRCAWSA-N",369961,NA,"PDBC25117","642328","Present",NA,NA
+"25118","4-[[(5R,9R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(5R,9R)-1,5,9-Trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]phenol",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC5=CC=C(C=C5)O)C","URDHTDUTEFBRCE-ZMFSFSIESA-N",45027779,NA,"PDBC25118","707391","Present",NA,NA
+"25119","4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benz",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C(=O)NC7CCC8=CC(=C(C(=C8C9=CC=C(C(=O)C=C79)SC)OC)OC)OC","MCVWSXSVUPWWQV-QNODNKGLSA-N",395874,NA,"PDBC25119","700915","Present",NA,NA
+"25120","4-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C(=O)O","CZXDFQJUHGPKOF-PUEOPUMLSA-N",374328,NA,"PDBC25120","651852","Present",NA,NA
+"25121","4-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(5S,8Ar)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzonitrile",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C#N","DSVDQMLQXBKSBA-LYJLOTJCSA-N",363636,NA,"PDBC25121","628665","Present",NA,NA
+"25122","4-[[(8-Hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P-[[.ALPHA.-(8-HYDROXY-7-QUINOLYL)BENZYL]AMINO]BENZOIC ACID",NA,"C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)C(=O)O","PSCFZETTYRDCRM-UHFFFAOYSA-N",219564,NA,"PDBC25122","1011","Present",NA,NA
+"25123","4-[[(E)-(2-Chlorophenyl)methylideneamino]-(2-hydroxyethyl)amino]-N-(3,5-dichlorophenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(E)-(2-Chlorophenyl)methylideneamino]-(2-hydroxyethyl)amino]-N-(3,5-dichlorophenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=NC(=O)N1)N(CCO)N=CC2=CC=CC=C2Cl)C(=O)NC3=CC(=CC(=C3)Cl)Cl","HBFVYNBILODRRQ-OPEKNORGSA-N",9571769,NA,"PDBC25123","648201","Present",NA,NA
+"25124","4-[[(E)-(4-Nitrophenyl)methylideneamino]carbamoylamino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(E)-(4-Nitrophenyl)methylideneamino]carbamoylamino]benzoic acid",NA,"C1=CC(=CC=C1C=NNC(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]","FJRIMDITFTXTKJ-CXUHLZMHSA-N",9572402,NA,"PDBC25124","715174","Present",NA,NA
+"25125","4-[[(Z)-C-[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-N-[(4-methylbenzoyl)amino]carbonimidoyl]diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(Z)-C-[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-N-[(4-methylbenzoyl)amino]carbonimidoyl]diazenyl]benzoic acid",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=C(C=C3)C(=O)O","MUNPFUSHKGEVTF-BJPWPYEYSA-N",135505187,NA,"PDBC25125","703556","Present",NA,NA
+"25126","4-[[(Z)-[7-[(8Z)-8-[[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methylene]-6-hydroxy-5-isopropyl-3-methyl-7-oxo-2-naphthyl]-3-hydroxy-4-isopropyl-6-methyl-2-oxo-1-naphthylidene]methyl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(Z)-[7-[(8Z)-8-[[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-6-hydroxy-3-methyl-7-oxo-5-propan-2-ylnaphthalen-2-yl]-3-hydroxy-6-methyl-2-oxo-4-propan-2-ylnaphthalen-1-ylidene]methy",NA,"CC1=CC2=C(C=C1C3=CC4=C(C=C3C)C(=C(C(=O)C4=CNC5=C(N(N(C5=O)C6=CC=CC=C6)C)C)O)C(C)C)C(=CNC7=C(N(N(C7=O)C8=CC=CC=C8)C)C)C(=O)C(=C2C(C)C)O","DSRLBLSGJLTAGU-ZHEAWEGVSA-N",5470046,NA,"PDBC25126","697100","Present",NA,NA
+"25127","4-[[1-(4-Methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[1-(4-Methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]morpholine",NA,"COC1=CC=C(C=C1)C2=C(SC3=NC4=CC=CC=C4N23)CN5CCOCC5","IWIBYZHTKNJIIU-UHFFFAOYSA-N",397922,NA,"PDBC25127","706978","Present",NA,NA
+"25128","4-[[1-(5-Chloro-2-pyridyl)-2,5-dimethyl-4-(morpholinomethyl)pyrrol-3-yl]methyl]morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[1-(5-Chloro-2-pyridyl)-2,5-dimethyl-4-(morpholinomethyl)pyrrol-3-yl]methyl]morpholine",NA,"CC1=C(C(=C(N1C2=NC=C(C=C2)Cl)C)CN3CCOCC3)CN4CCOCC4","UQUYNXIWPFQUTI-UHFFFAOYSA-N",388904,NA,"PDBC25128","684136","Present",NA,NA
+"25129","4-[[1-Chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[1-Chloro-4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO)Cl)C","RHAHACUXSCTWKK-UHFFFAOYSA-N",370677,NA,"PDBC25129","644053","Present",NA,NA
+"25130","4-[[1-Oxo-4-[4-(quinoxalin-2-ylsulfamoyl)phenyl]iminonaphthalen-2-yl]amino]-N-quinoxalin-2-ylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[1-Oxo-4-[4-(quinoxalin-2-ylsulfamoyl)phenyl]iminonaphthalen-2-yl]amino]-N-quinoxalin-2-ylbenzenesulfonamide",NA,"C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)S(=O)(=O)NC4=NC5=CC=CC=C5N=C4)C=C(C2=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC8=CC=CC=C8N=C7","RSSAXWHZGNDHTD-UHFFFAOYSA-N",375856,NA,"PDBC25130","656128","Present",NA,NA
+"25131","4-[[1-[3-(4-Fluoroanilino)-3-oxopropanoyl]-5-oxo-3-phenyl-4H-pyrazol-4-yl]diazenyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[1-[3-(4-Fluoroanilino)-3-oxopropanoyl]-5-oxo-3-phenyl-4H-pyrazol-4-yl]diazenyl]benzoic acid",NA,"C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=C(C=C3)C(=O)O)C(=O)CC(=O)NC4=CC=C(C=C4)F","CTRQZCVKJVXKSW-UHFFFAOYSA-N",359681,NA,"PDBC25131","621095","Present",NA,NA
+"25132","4-[[1-[5-Cyano-4-(furan-2-yl)-1-methyl-6-oxopyrimidin-2-yl]-3,5-dioxopyrazolidin-4-yl]diazenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[1-[5-Cyano-4-(furan-2-yl)-1-methyl-6-oxopyrimidin-2-yl]-3,5-dioxopyrazolidin-4-yl]diazenyl]benzenesulfonamide",NA,"CN1C(=O)C(=C(N=C1N2C(=O)C(C(=O)N2)N=NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CO4)C#N","PMGAMKXZQPSIPB-UHFFFAOYSA-N",45029189,NA,"PDBC25132","745582","Present",NA,NA
+"25133","4-[[2,4-Dichloro-6-[(4-nitrobenzoyl)oxy]phenyl]imino]-2,6-dimethoxy-2,5-cyclohexadien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Dichloro-2-[(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)amino]phenyl 4-nitrobenzoate",NA,"COC1=CC(=NC2=C(C=C(C=C2Cl)Cl)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C1=O)OC","RFKIVMQNVBCMJM-UHFFFAOYSA-N",370888,NA,"PDBC25133","644622","Present",NA,NA
+"25134","4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[2,6-Diamino-5-(3,4-dichlorophenyl)pyrimidin-4-yl]methoxy]benzonitrile",NA,"C1=CC(=CC=C1C#N)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl","PRMHACFMULNDJG-UHFFFAOYSA-N",420798,NA,"PDBC25134","127471","Present",NA,NA
+"25135","4-[[2-(3-Carboxypropylimino)-1,2-diphenylethylidene]amino]butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(2e)-2-(4-Hydroxy-4-oxo-butyl)imino-1,2-diphenyl-ethylidene]amino]butanoic acid",NA,"C1=CC=C(C=C1)C(=NCCCC(=O)O)C(=NCCCC(=O)O)C2=CC=CC=C2","PJNLAMGYYCDJEX-UHFFFAOYSA-N",395214,NA,"PDBC25135","699688","Present",NA,NA
+"25136","4-[[2-(4-Carboxyphenyl)imino-1,2-diphenylethylidene]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(2z)-2-(4-Carboxyphenyl)imino-1,2-diphenyl-ethylidene]amino]benzoic acid",NA,"C1=CC=C(C=C1)C(=NC2=CC=C(C=C2)C(=O)O)C(=NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4","VDYSSHCFGBQRJW-UHFFFAOYSA-N",395213,NA,"PDBC25136","699687","Present",NA,NA
+"25137","4-[[2-(4-Chlorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[2-(4-Chlorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide",NA,"C1=CC(=CC=C1C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)Cl","NCOJMQGWXHLZPI-MDZDMXLPSA-N",24204932,NA,"PDBC25137","733477","Present",NA,NA
+"25138","4-[[2-(4-Fluorophenyl)-2-bicyclo[2.2.1]heptanyl]-methylamino]-N-[(2R,3S,4R,6S)-3-hydroxy-2-methyl-6-[[(1R,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(N-(2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-yl)-N-met...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)CCCN(C)C6(CC7CCC6C7)C8=CC=C(C=C8)F)O","WCSMLARGQAEWLE-JDVCFUHQSA-N",155816465,NA,"PDBC25138","788320","Present",NA,NA
+"25139","4-[[2-(4-Fluorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[2-(4-Fluorophenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide",NA,"C1=CC(=CC=C1C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N)F","AOTXFCOLABDNJL-MDZDMXLPSA-N",24204925,NA,"PDBC25139","733464","Present",NA,NA
+"25140","4-[[2-(4-Methylphenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[2-(4-Methylphenyl)-2-oxoethyl]-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzenesulfonamide",NA,"CC1=CC=C(C=C1)C(=O)CN(C=CC(=O)C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)N","AICUSWVANNEYIZ-ZHACJKMWSA-N",24204924,NA,"PDBC25140","733463","Present",NA,NA
+"25141","4-[[2-(Carboxymethyl)-1,1,3-trioxo-1,2-benzothiazol-6-yl]amino]-4-oxo-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[2-(Carboxymethyl)-1,1,3-trioxo-1,2-benzothiazol-6-yl]amino]-4-oxo-butanoic acid",NA,"C1=CC2=C(C=C1NC(=O)CCC(=O)O)S(=O)(=O)N(C2=O)CC(=O)O","CAOHOSFBHZFGMV-UHFFFAOYSA-N",393590,NA,"PDBC25141","695661","Present",NA,NA
+"25142","4-[[2-Ethyl-4-oxo-3-(2-phenylethyl)quinazolin-6-yl]methyl]-N-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-ethyl-4-oxo-3-phenethyl-3,4-dihydroquinazolin-6-yl...",NA,"CCC1=NC2=C(C=C(C=C2)CC3=CC=C(C=C3)C(=O)NO)C(=O)N1CCC4=CC=CC=C4","VLBQAJZSHGGUBQ-UHFFFAOYSA-N",71811260,NA,"PDBC25142","787286","Present",NA,NA
+"25143","4-[[2-[(3,4-Dichlorophenyl)carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-(3-(3,4-dichlorophenyl)ureido)benzo[d]thiazol-6-yl...",NA,"CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl","KNOQVYGPDZKJHQ-UHFFFAOYSA-N",127046489,NA,"PDBC25143","780956","Present",NA,NA
+"25144","4-[[2-[(3,5-Dioxo-1,2,4-triazolidin-4-yl)methyl]phenyl]methyl]-1,2,4-triazolidine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[2-[(3,5-Dioxo-1,2,4-triazolidin-4-yl)methyl]phenyl]methyl]-1,2,4-triazolidine-3,5-dione",NA,"C1=CC=C(C(=C1)CN2C(=O)NNC2=O)CN3C(=O)NNC3=O","OQVOJVIERNSDOJ-UHFFFAOYSA-N",392328,NA,"PDBC25144","692604","Present",NA,NA
+"25145","4-[[2-[[3,5-Bis(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-(3-(3,5-bis(trifluoromethyl)phenyl)ureido)benzo[d]...",NA,"CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","OSDKCMJIQPHNPE-UHFFFAOYSA-N",127047276,NA,"PDBC25145","783701","Present",NA,NA
+"25146","4-[[2-[[4-Chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]-N-methylpyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-(3-(4-chloro-3-(trifluoromethyl)phenyl)ureido)benz...",NA,"CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","IOTROVDBTOGLFR-UHFFFAOYSA-N",127047275,NA,"PDBC25146","780450","Present",NA,NA
+"25147","4-[[2-[[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]carbamoylamino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[2-[[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl]carbamoyla",NA,"CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C5COC(O5)(C)C)OC(O4)(C)C)NC(=O)NC6=CC=C(C=C6)C(=O)O)OC(O2)(C)C","WSZRDNSEZXHMGT-UHFFFAOYSA-N",45028442,NA,"PDBC25147","742856","Present",NA,NA
+"25148","4-[[3,5-Bis[(4-hydroxyphenyl)methyl]phenyl]methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[3,5-Bis[(4-hydroxyphenyl)methyl]phenyl]methyl]phenol",NA,"C1=CC(=CC=C1CC2=CC(=CC(=C2)CC3=CC=C(C=C3)O)CC4=CC=C(C=C4)O)O","ZUEQUQSNOMEMJR-UHFFFAOYSA-N",393214,NA,"PDBC25148","694702","Present",NA,NA
+"25149","4-[[3-(2-Fluorophenyl)-2,4-dioxoquinazolin-1-yl]methyl]-N-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((3-(2-fluorophenyl)-2,4-dioxo-3,4-dihydroquinazolin-1...",NA,"C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC3=CC=C(C=C3)C(=O)NO)C4=CC=CC=C4F","ZXHSWQKUOOOVNJ-UHFFFAOYSA-N",152729507,NA,"PDBC25149","787280","Present",NA,NA
+"25150","4-[[3-(2-Thienyl)quinoxalin-2-yl]amino]benzoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-{[3-(thiophen-2-yl)quinoxalin-2-yl]amino}benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","APZHKWUYQRGXRW-UHFFFAOYSA-N",385744,NA,"PDBC25150","677095","Present",NA,NA
+"25151","4-[[3-(3,4-Dichlorophenylcarbamoyl)thioureido]methyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[3-(3,4-Dichlorophenylcarbamoyl)thioureido]methyl]benzenesulfonamide",NA,"C1=CC(=CC=C1CNC(=S)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)N","DLLSQQSPPYJHJW-UHFFFAOYSA-N",5470531,NA,"PDBC25151","702687","Present",NA,NA
+"25152","4-[[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)O","VNPGMPKXSJGJEV-UHFFFAOYSA-N",385742,NA,"PDBC25152","677093","Present",NA,NA
+"25153","4-[[3-Phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-{[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino}benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","YSUXIYTZQCZKAP-UHFFFAOYSA-N",385743,NA,"PDBC25153","677094","Present",NA,NA
+"25154","4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2NC4=CC=C(C=C4)C(=O)O","RSYJTYQTKKUHMY-UHFFFAOYSA-N",385741,NA,"PDBC25154","677092","Present",NA,NA
+"25155","4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-{[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino}benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","MEOCXCNZPNMJGA-UHFFFAOYSA-N",385746,NA,"PDBC25155","677097","Present",NA,NA
+"25156","4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[3-Phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzonitrile",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2COC4=CC=C(C=C4)C#N","HIKCPYTUBNXVGW-UHFFFAOYSA-N",392813,NA,"PDBC25156","693769","Present",NA,NA
+"25157","4-[[4,5-Bis(trifluoromethyl)-1H-imidazol-2-yl]diazenyl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4,5-Bis(trifluoromethyl)-1H-imidazol-2-yl]diazenyl]benzenesulfonic acid",NA,"C1=CC(=CC=C1N=NC2=NC(=C(N2)C(F)(F)F)C(F)(F)F)S(=O)(=O)O","HLYCSXLSVNEJJL-UHFFFAOYSA-N",357612,NA,"PDBC25157","617136","Present",NA,NA
+"25158","4-[[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-5-nitro-1H-pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{[4,5-Dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]amino}-5-nitropyrimidin-4(1H)-one",NA,"C1=C(C(C(C1NC2=C(C(=O)NC=N2)[N+](=O)[O-])O)O)CO","ATWLHOBYKINNNZ-UHFFFAOYSA-N",135495973,NA,"PDBC25158","642830","Present",NA,NA
+"25159","4-[[4-(1,3-Benzothiazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-(1,3-Benzothiazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline",NA,"CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3","ZYTXKXKNGGKJNB-UHFFFAOYSA-N",402451,NA,"PDBC25159","716421","Present",NA,NA
+"25160","4-[[4-(1,3-Benzoxazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-(1,3-Benzoxazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline",NA,"CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4O3","PHGDJKWYKYTNGB-UHFFFAOYSA-N",401263,NA,"PDBC25160","714517","Present",NA,NA
+"25161","4-[[4-(1H-Benzimidazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-(1H-Benzimidazol-2-yl)phenyl]iminomethyl]-N,N-dimethylaniline",NA,"CN(C)C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","QTBYJQKODAGKPO-UHFFFAOYSA-N",402057,NA,"PDBC25161","715753","Present",NA,NA
+"25162","4-[[4-(2-Benzyl-1,3-thiazol-4-yl)phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-3-methylaniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, N,N-bis(2-chloroethyl)-3-methyl-4-[[[4-[2-(...",NA,"CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC=C(C=C2)C3=CSC(=N3)CC4=CC=CC=C4.Cl","LDUCWEKRZVOYAS-UHFFFAOYSA-N",24190089,NA,"PDBC25162","100770","Present",NA,NA
+"25163","4-[[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]methylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 4-[3-[p-(4,6-diamino-2,...",NA,"CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)NCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F","QNTQODOCEDOHBL-UHFFFAOYSA-N",276175,NA,"PDBC25163","123463","Present",NA,NA
+"25164","4-[[4-(Cyclohexylamino)-9,10-dioxoanthracen-1-yl]amino]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfanilic acid, N-[4-(cyclohexylamino]-1-anthraquinonyl]-",NA,"C1CCC(CC1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O","PSWVJVFHPGZDQH-UHFFFAOYSA-N",278672,NA,"PDBC25164","128437","Present",NA,NA
+"25165","4-[[4-(Diaminomethylideneamino)sulfonylphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-(Diaminomethylideneamino)sulfonylphenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid",NA,"C1=CC=C2C(=C1)C=C(C(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)O)C(=O)O","MUOFBLRJLQRVDM-UHFFFAOYSA-N",281357,NA,"PDBC25165","134139","Present",NA,NA
+"25166","4-[[4-(Dimethylamino)phenyl]methyl]-6-[(6-methoxyquinolin-8-yl)diazenyl]-1-N,1-N-dimethylbenzene-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-(Dimethylamino)phenyl]methyl]-6-[(6-methoxyquinolin-8-yl)diazenyl]-1-N,1-N-dimethylbenzene-1,3-diamine",NA,"CN(C)C1=CC=C(C=C1)CC2=CC(=C(C=C2N)N(C)C)N=NC3=C4C(=CC(=C3)OC)C=CC=N4","BTDQKVAGLWNJLK-UHFFFAOYSA-N",407487,NA,"PDBC25166","5920","Present",NA,NA
+"25167","4-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methoxymethyl]-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methoxymethyl]-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-amine",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)COCC3=NC(=NC(=N3)N4C(CC(=N4)C)(C)C)N","DVEBMZANZYKIAR-UHFFFAOYSA-N",389992,NA,"PDBC25167","686786","Present",NA,NA
+"25168","4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=C(C(=O)N3N)C=CC4=C(C=CC5=CC=CC=C54)O)C","ZITHNYOUVLIXPR-OUKQBFOZSA-N",135436153,NA,"PDBC25168","710577","Present",NA,NA
+"25169","4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4-methyl-1,2-oxazol-5-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-(4-methyl-1,2-oxazol-5-yl)benzenesulfonamide",NA,"CC1=C(ON=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NN=C(C(=O)N3N)C=CC4=C(C=CC5=CC=CC=C54)O","QMZUJLHVVSJAFD-VAWYXSNFSA-N",135436154,NA,"PDBC25169","710578","Present",NA,NA
+"25170","4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-Amino-6-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-5-oxo-1,2,4-triazin-3-yl]amino]-N-pyrimidin-2-ylbenzenesulfonamide",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC3=NN=C(N(C3=O)N)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)O","GSWSANSOOSQPTB-VAWYXSNFSA-N",135436152,NA,"PDBC25170","710576","Present",NA,NA
+"25171","4-[[4-Hydroxy-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-Hydroxy-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol",NA,"COC1=CC=C(C=C1)C2=NNC(C2)C3=C(C=CC(=C3)CC4=CC(=C(C=C4)O)C5CC(=NN5)C6=CC=C(C=C6)OC)O","DOPFWCZEDUQYNO-UHFFFAOYSA-N",53306275,NA,"PDBC25171","751620","Present",NA,NA
+"25172","4-[[4-[(2,6-Dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-[(2,6-Dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid",NA,"CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O","NKTXOTGVPZWTEQ-UHFFFAOYSA-N",421466,NA,"PDBC25172","134140","Present",NA,NA
+"25173","4-[[4-[(3,4-Dimethyl-1,2-oxazolidin-5-yl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-[(3,4-Dimethyl-1,2-oxazolidin-5-yl)sulfamoyl]phenyl]diazenyl]-3-hydroxynaphthalene-2-carboxylic acid",NA,"CC1C(NOC1NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)C","XRESMPGYVTUMSP-UHFFFAOYSA-N",421461,NA,"PDBC25173","134132","Present",NA,NA
+"25174","4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-[4-(2-Hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]benzenesulfonamide",NA,"C1CN(CCN1CCO)C(=O)C2=CC=CC3=C(C4=CC=CC=C4N=C32)NC5=CC=C(C=C5)S(=O)(=O)N","BTUADNZMKNSILJ-UHFFFAOYSA-N",370663,NA,"PDBC25174","644039","Present",NA,NA
+"25175","4-[[4-[[4-[[6-[[4-[[4-[(4-Aminophenyl)methyl]phenyl]iminomethyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]phenyl]methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[4-[[4-[[6-[[4-[[4-[(4-Aminophenyl)methyl]phenyl]iminomethyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]phenyl]methyl]aniline",NA,"C1=CC(=NC(=C1)COC2=CC=C(C=C2)C=NC3=CC=C(C=C3)CC4=CC=C(C=C4)N)COC5=CC=C(C=C5)C=NC6=CC=C(C=C6)CC7=CC=C(C=C7)N","AUJBIYBRVXHNCJ-UHFFFAOYSA-N",403710,NA,"PDBC25175","718901","Present",NA,NA
+"25176","4-[[5-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazol-2-yl]sulfanylmethyl]imidazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[5-(2,3,4,9-Tetrahydro-1H-carbazol-1-yl)-1,3-benzoxazol-2-yl]sulfanylmethyl]imidazolidin-2-one",NA,"C1CC(C2=C(C1)C3=CC=CC=C3N2)C4=CC5=C(C=C4)OC(=N5)SCC6CNC(=O)N6","UDHYNEYETREZIB-UHFFFAOYSA-N",396626,NA,"PDBC25176","703125","Present",NA,NA
+"25177","4-[[5-(2-Chlorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxobutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[5-(2-Chlorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]oxy]-4-oxo-butanoic acid",NA,"C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)[N+](=O)[O-])OC(=O)CCC(=O)O)Cl","QALQAIWAHFERNQ-UHFFFAOYSA-N",398655,NA,"PDBC25177","708813","Present",NA,NA
+"25178","4-[[5-(Iodomethyl)-4,5-dihydrothiazol-2-yl]amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[5-(Iodomethyl)-4,5-dihydrothiazol-2-yl]amino]benzenesulfonamide",NA,"C1C(SC(=N1)NC2=CC=C(C=C2)S(=O)(=O)N)CI","WYATYSZFAKQDTL-UHFFFAOYSA-N",389124,NA,"PDBC25178","684809","Present",NA,NA
+"25179","4-[[5-[(4-Carbamimidoylphenyl)diazenyl]-2,6-dihydroxyanthracen-1-yl]diazenyl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[5-[(4-Carbamimidoylphenyl)diazenyl]-2,6-dihydroxyanthracen-1-yl]diazenyl]benzenecarboximidamide;hydrochloride",NA,"C1=CC(=CC=C1C(=N)N)N=NC2=C(C=CC3=CC4=C(C=CC(=C4N=NC5=CC=C(C=C5)C(=N)N)O)C=C32)O.Cl","BNEUWNVZSIETLO-UHFFFAOYSA-N",135502360,NA,"PDBC25179","359464","Present",NA,NA
+"25180","4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[6-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid",NA,"C1=CC(=CC=C1C(=O)O)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","KJTVMDDFYCCVQS-UHFFFAOYSA-N",385745,NA,"PDBC25180","677096","Present",NA,NA
+"25181","4-[[6-[[4-[(E)-[[5-Chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-methylhydrazinylidene]methyl]phenoxy]methyl]pyridin-2-yl]methoxy]benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[6-[[4-[(E)-[[5-Chloro-1-(2,4-dichlorophenyl)-6-oxopyridazin-4-yl]-methylhydrazinylidene]methyl]phenoxy]methyl]pyridin-2-yl]methoxy]benzaldehyde",NA,"CN(C1=C(C(=O)N(N=C1)C2=C(C=C(C=C2)Cl)Cl)Cl)N=CC3=CC=C(C=C3)OCC4=NC(=CC=C4)COC5=CC=C(C=C5)C=O","PZMYCWQQZNWGGH-ODQASSKESA-N",54609063,NA,"PDBC25181","718886","Present",NA,NA
+"25182","4-[[6-[[4-[(Z)-[(2,4-Dinitrophenyl)hydrazinylidene]methyl]phenoxy]methyl]pyridin-2-yl]methoxy]benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[6-[[4-[(Z)-[(2,4-Dinitrophenyl)hydrazinylidene]methyl]phenoxy]methyl]pyridin-2-yl]methoxy]benzaldehyde",NA,"C1=CC(=NC(=C1)COC2=CC=C(C=C2)C=O)COC3=CC=C(C=C3)C=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","BNVRCVSIWQWQJL-MBTHVWNTSA-N",9572511,NA,"PDBC25182","718885","Present",NA,NA
+"25183","4-[[7-(Trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[7-(Trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-yl]amino]benzoic acid",NA,"C1=CN2C3=C(C=C(C=C3)C(F)(F)F)N=C(C2=C1)NC4=CC=C(C=C4)C(=O)O","VVDHEEMJIQCXTL-UHFFFAOYSA-N",400212,NA,"PDBC25183","711730","Present",NA,NA
+"25184","4-[[7-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[7-(Trifluoromethyl)quinoxalin-2-yl]amino]benzoic acid",NA,"C1=CC(=CC=C1C(=O)O)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F","VTIUFWPHRWWKPG-UHFFFAOYSA-N",389670,NA,"PDBC25184","686047","Present",NA,NA
+"25185","4-[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoic acid",NA,"CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)C(=O)O)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","JHSXJMVGOLVTFP-UHFFFAOYSA-N",384849,NA,"PDBC25185","675367","Present",NA,NA
+"25186","4-[[Oxo(diphenyl)-lambda6-sulfanylidene]amino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[Oxo(diphenyl)-lambda6-sulfanylidene]amino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione",NA,"C1CC2C=CC1N3N2C(=O)N(C3=O)N=S(=O)(C4=CC=CC=C4)C5=CC=CC=C5","PSOYZJARKQYMSM-UHFFFAOYSA-N",391636,NA,"PDBC25186","691122","Present",NA,NA
+"25187","4-[[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]methyl]benzonitrile",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC6=CC=C(C=C6)C#N","LCRNHSVADVWRRI-BSAOIWFSSA-N",369917,NA,"PDBC25187","642284","Present",NA,NA
+"25188","4-[[[(E)-3-(3-Phenoxyphenyl)prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[[(E)-3-(3-Phenoxyphenyl)prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4","LRRYPTSFXCEXMH-KNTRCKAVSA-N",5470469,NA,"PDBC25188","702115","Present",NA,NA
+"25189","4-[[[(E)-3-(3-Phenoxyphenyl)prop-2-enoyl]amino]methyl]-N-[(1S)-1-phenylethyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[[(E)-3-(3-Phenoxyphenyl)prop-2-enoyl]amino]methyl]-N-[(1S)-1-phenylethyl]benzamide",NA,"CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4","LAKIVZHZYOAQEW-JVIWHDFBSA-N",5470484,NA,"PDBC25189","702130","Present",NA,NA
+"25190","4-[[[(E)-3-(9H-Fluoren-3-yl)prop-2-enoyl]amino]methyl]-N-(3-methylbutyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[[(E)-3-(9H-Fluoren-3-yl)prop-2-enoyl]amino]methyl]-N-(3-methylbutyl)benzamide",NA,"CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC3=C(CC4=CC=CC=C43)C=C2","XUDMAFKAWBJBDM-GXDHUFHOSA-N",5470486,NA,"PDBC25190","702132","Present",NA,NA
+"25191","4-[[[(E)-3-Naphthalen-2-ylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[[(E)-3-Naphthalen-2-ylprop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC4=CC=CC=C4C=C3","NBLXIWPROBJQEM-GHRIWEEISA-N",5470480,NA,"PDBC25191","702126","Present",NA,NA
+"25192","4-[[[(E)-3-[5-(2-Nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[[(E)-3-[5-(2-Nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]-N-(2-phenylethyl)benzamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(O3)C4=CC=CC=C4[N+](=O)[O-]","VBUVMQUDSLWRPR-BMRADRMJSA-N",5470475,NA,"PDBC25192","702121","Present",NA,NA
+"25193","4-[alpha-(3-Carboxypropylamino)benzylidene]-1-phenylpyrrolidine-2,3,5-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[alpha-(3-Carboxypropylamino)benzylidene]-1-phenylpyrrolidine-2,3,5-trione",NA,"C1=CC=C(C=C1)C(=NCCCC(=O)O)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)O","CFOQOBFADLYNTK-UHFFFAOYSA-N",135426748,NA,"PDBC25193","715996","Present",NA,NA
+"25194","4-[p-(Dimethylamino)styryl]quinoline monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4m20 hcl",NA,"CN(C)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23.Cl","RMENITNYNPMFHY-VEZAGKLZSA-N",54609627,NA,"PDBC25194","63346","Present",NA,NA
+"25195","4-[tert-butyl(dioxo)[?]yl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[tert-butyl(dioxo)[?]yl]benzoic acid",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)C(=O)O","IKTVSAXCEBKIPT-UHFFFAOYSA-N",381769,NA,"PDBC25195","668841","Present",NA,NA
+"25196","4-[tert-butyl(dioxo)[?]yl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[tert-butyl(dioxo)[?]yl]benzonitrile",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)C#N","QCCODWRKWVXPTA-UHFFFAOYSA-N",381762,NA,"PDBC25196","668834","Present",NA,NA
+"25197","4-aminothiazole, 2.3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-aminothiazole, 2.3",NA,"C1=CC(=CC=C1C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Cl)N)Cl","IXHRXUGFSMBLCS-UHFFFAOYSA-N",399620,NA,"PDBC25197","710529","Present",NA,NA
+"25198","4-chloro-5-cyano-6-ethoxycarbonylmethylthio-2-methylpyrr...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-chloro-5-cyano-6-ethoxycarbonylmethylthio-2-methylpyrr...",NA,"CCOC(=O)CSC1=C(C2=C(N1)N=C(N=C2Cl)C)C#N","NTLTYMXTIUOUGZ-UHFFFAOYSA-N",5465776,NA,"PDBC25198","661173","Present",NA,NA
+"25199","4-deoxygigantecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-deoxygigantecin",NA,"CCCCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC3=CC(OC3=O)C)O)O)O","AUIKUKHBIJHVLQ-QMSPDADRSA-N",393463,NA,"PDBC25199","695396","Present",NA,NA
+"25200","4-hydroxyethylthiocaran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-hydroxyethylthiocaran-3-ol",NA,"CC1(C2C1CC(C(C2)SCCO)(C)O)C","LIJDNFQOQBNEML-UHFFFAOYSA-N",375775,NA,"PDBC25200","655927","Present",NA,NA
+"25201","4-methoxypaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methoxypaullone",NA,"COC1=CC=CC2=C1NC(=O)CC3=C2NC4=CC=CC=C34","ATOAEKSFKWKAIO-UHFFFAOYSA-N",396080,NA,"PDBC25201","701591","Present",NA,NA
+"25202","4-methyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methyl-1,3-bis(naphthalen-2-ylmethyl)imidazolium bromide",NA,"CC1=C[N+](=CN1CC2=CC3=CC=CC=C3C=C2)CC4=CC5=CC=CC=C5C=C4","BYLOGTYCZPYBRI-UHFFFAOYSA-N",132545057,NA,"PDBC25202","788910","Present",NA,NA
+"25203","4-morpholinecarbodithioic acid, antimony complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625498///NSC625502",NA,NA,NA,NA,NA,"PDBC25203","625498///625502","Present",NA,NA
+"25204","4-n-Propyl-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-n-Propyl-N-(3,4,5-trimethoxybenzyl)aniline Hydrochloride",NA,"CCCC1=CC=C(C=C1)NCC2=CC(=C(C(=C2)OC)OC)OC.Cl","JWMZFCYXYBWMLU-UHFFFAOYSA-N",373802,NA,"PDBC25204","650767","Present",NA,NA
+"25205","4-nitro-1,2,3-triazolo[4,5-e] benzofurazan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-nitro-1,2,3-triazolo[4,5-e] benzofurazan",NA,"C1=C(C2=NON=C2C3=NNN=C31)[N+](=O)[O-]","UPBSKJLZVLKIQT-UHFFFAOYSA-N",6399355,NA,"PDBC25205","669452","Present",NA,NA
+"25206","4-thiomorpholinecarbodithioic acid, antimony complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-thiomorpholinecarbodithioic acid, antimony complex",NA,NA,NA,NA,NA,"PDBC25206","625497","Present",NA,NA
+"25207","4-{2-[(2Z,4E)-2-(Benzoylamino)-5-phenylpenta-2,4-dienoyl]-1-methylhydrazino}-3-chloro-2-oxo-1-phenyl-2,5-dihydropyridinium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2Z,4E)-1-[2-(5-Chloro-6-oxo-1-phenyl-3H-pyridin-1-ium-4-yl)-2-methylhydrazinyl]-1-oxo-5-phenylpenta-2,4-dien-2-yl]benzamide",NA,"CN(C1=C(C(=O)[N+](=CC1)C2=CC=CC=C2)Cl)NC(=O)C(=CC=CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4","FRFHJEMATRXJPH-IOSQKCMWSA-O",5467721,NA,"PDBC25207","658336","Present",NA,NA
+"25208","4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-N-(2-methoxyphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-N-(2-methoxyphenyl)-2,4-dioxobutanamide",NA,"COC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43","AMUNALPHHIVLDN-UHFFFAOYSA-N",369450,NA,"PDBC25208","641220","Present",NA,NA
+"25209","4-{3-[(4-Chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(p-Aminophenyl)-5-(p-chlorophenoxy)methylenetriazolo[3...",NA,"C1=CC(=CC=C1C2=NN3C(=NN=C3S2)COC4=CC=C(C=C4)Cl)N","IHXLYYIQXFWVCK-UHFFFAOYSA-N",405795,NA,"PDBC25209","723447","Present",NA,NA
+"25210","4-{4-[4-(6,8-Disulfo-naphthalen-2-ylazo)-3-methyl-phenylazo]-3-methyl-phenylazo}-3-hydroxy-naphthalene-2,7-disulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Naphthalenedisulfonic acid, 7-[[4-[[4-[(2-hydroxy- 3...",NA,"CC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O)C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)O)S(=O)(=O)O","IYUCGDXZYHLGQX-UHFFFAOYSA-N",414999,NA,"PDBC25210","65847","Present",NA,NA
+"25211","4-{5-[1-(4-Methylphenyl)-1H-tetraazol-5-yl]-4-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl}morpholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[5-(1-p-Tolyl-1H-tetrazol-5-yl)-4-(3-trifluoromethyl-p...",NA,"CC1=CC=C(C=C1)N2C(=NN=N2)C3=CN=C(N=C3C4=CC(=CC=C4)C(F)(F)F)N5CCOCC5","VTMWORFLCVJZQD-UHFFFAOYSA-N",11836143,NA,"PDBC25211","732132","Present",NA,NA
+"25212","4-{Bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1-butanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{bis[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]amino}-1-but...",NA,"CC1=CC(=NN1CN(CCCCO)CN2C(=CC(=N2)C)C)C","PPXWKEVIJFTSOY-UHFFFAOYSA-N",404569,NA,"PDBC25212","720865","Present",NA,NA
+"25213","4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-1,3-thiazol-2-ylbenzenesulfonamide",NA,"C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","CHQPFVHWSKGZMX-UHFFFAOYSA-N",391383,NA,"PDBC25213","690556","Present",NA,NA
+"25214","4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-pyrimidin-2-ylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}-N-pyrimidin-2-ylbenzenesulfonamide",NA,"C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5","ZFEZBTOWDVFBML-UHFFFAOYSA-N",391384,NA,"PDBC25214","690557","Present",NA,NA
+"25215","4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}benzenesulfonamide",NA,"C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=C(C=C3)Cl)CNC4=CC=C(C=C4)S(=O)(=O)N","GGHSLRUUWOQUIQ-UHFFFAOYSA-N",391385,NA,"PDBC25215","690558","Present",NA,NA
+"25216","4-{[4-(1H-Benzo[d]imidazol-2-yl)phenylamino]methylene}-3-met hyl-1H-pyrazol-5(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{[4-(1H-benzo[d]imidazol-2-yl)phenylamino]methylene}-3...",NA,"CC1=C(C(=O)NN1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","UZYRZYVWDQENTQ-UHFFFAOYSA-N",135585459,NA,"PDBC25216","729789","Present",NA,NA
+"25217","42-mer Peptide, Ac-AM2AP (MW=5338.4)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"42-mer Peptide, Ac-AM2AP (MW=5338.4)",NA,NA,NA,NA,NA,"PDBC25217","705567","Present",NA,NA
+"25218","42-mer Peptide, Ac-W10AP (MW=5550.7)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"42-mer Peptide, Ac-W10AP (MW=5550.7)",NA,NA,NA,NA,NA,"PDBC25218","705566","Present",NA,NA
+"25219","4656AJ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4656AJ",NA,"CC(C)(C)OC(=O)NCCC1CNC2=CC=CC=C12","ZEQWYBCGYJDKQN-UHFFFAOYSA-N",394091,NA,"PDBC25219","697229","Present",NA,NA
+"25220","4973AH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4973AH",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)CC(C(=O)O)N","XKDUODGOACYEEU-UHFFFAOYSA-N",3413602,NA,"PDBC25220","58612","Present",NA,NA
+"25221","4A11-2F6 antibody",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4A11-2F6 antibody",NA,NA,NA,NA,NA,"PDBC25221","740292","Present",NA,NA
+"25222","4Balpha,10balpha:5beta,6beta:11beta,12beta-Trisepoxy-4b,5,6,10b,11,12-hexahydrochrysene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2S,4S,11R,12S,14S)-3,13,21-Trioxaheptacyclo[9.9.1.01,11.02,4.05,10.012,14.015,20]henicosa-5,7,9,15,17,19-hexaene",NA,"C1=CC=C2C(=C1)C3C(O3)C45C2(O4)C6C(O6)C7=CC=CC=C57","VKXNBAPCVVEWPZ-UXJCHEOYSA-N",397376,NA,"PDBC25222","705030","Present",NA,NA
+"25223","4C-hydroxy-variamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4C-hydroxy-variamycin",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)(O)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC)C(=C4C(=C3C)O)O)O)O","WVZCVUIMRBCDPW-WAMQQGDBSA-N",155809234,NA,"PDBC25223","783299","Present",NA,NA
+"25224","4E-Keto-Mithramycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4E-Keto-Mithramycin A",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(=O)C(O8)C)(C)O)C(=C4C(=C3C)O)O)O)O","DXHAESYIXMABOA-UDUYQSOBSA-N",155813640,NA,"PDBC25224","788586","Present",NA,NA
+"25225","4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H,6H-[2]Benzoxepino[6,5,4-def][2]benzoxepine-4,12(10H)-dione",NA,"C1C2=C3C(=CC=C2)COC(=O)C4=CC=CC(=C43)C(=O)O1","XFDQQQOSZNADKI-UHFFFAOYSA-N",362037,NA,"PDBC25225","625536","Present",NA,NA
+"25226","4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8,9-dihydro-8-(2-propenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8,9-dihydro-8-(2-propenyl)-",NA,"C=CCN1CC2=CC3=C4C(=C2OC1)C=CC=C4C(=O)O3","DRWCRTYHFMYYAE-UHFFFAOYSA-N",373970,NA,"PDBC25226","651002","Present",NA,NA
+"25227","4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8-(4-chlorophenyl)-8,9-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H,7H-Furo[2',3',4':4,5]naphth[2,1-e][1,3]oxazin-4-one, 8-(4-chlorophenyl)-8,9-dihydro-",NA,"C1C2=CC3=C4C(=C2OCN1C5=CC=C(C=C5)Cl)C=CC=C4C(=O)O3","PGVVYQXSSHMHRF-UHFFFAOYSA-N",373969,NA,"PDBC25227","651001","Present",NA,NA
+"25228","4H,Mn]pyrene-4,12-dione, 2-(1,1-dimethylethyl)-8-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H,12H-Dibenzo[cd,mn]pyrene-4,12-dione, 2-(1,1-dimethyle...",NA,"CC(C)(C)C1=CC2=C(C3=C4C(=CC=C3)C(=O)C5=C6C4=C2C(=C1)C(=O)C6=CC=C5)O","ZCVWERGYGMHVOS-UHFFFAOYSA-N",357634,NA,"PDBC25228","617158","Present",NA,NA
+"25229","4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,2,4-Benzothiadiazine, 3-chloro-4-ethyl-, 1,1-dioxide",NA,"CCN1C2=CC=CC=C2S(=O)(=O)N=C1Cl","SIWVDIITQBPZGK-UHFFFAOYSA-N",198691,NA,"PDBC25229","373854","Present",NA,NA
+"25230","4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,2,4-Benzothiadiazine, 3-chloro-4-methyl-, 1,1-dioxide",NA,"CN1C2=CC=CC=C2S(=O)(=O)N=C1Cl","RCISZGZSERFAFZ-UHFFFAOYSA-N",198690,NA,"PDBC25230","373853","Present",NA,NA
+"25231","4H-1,2,6,7,8-Pentathia-4-aza-s-indacene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,2,6,7,8-Pentathia-4-aza-s-indacene-3,5-dione",NA,"C12=C(SC3=C(N1)C(=O)SS3)SSC2=O","LZUIJUKMDLVNIT-UHFFFAOYSA-N",402774,NA,"PDBC25231","716981","Present",NA,NA
+"25232","4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-dibutyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-dibutyl-",NA,"CCCC[Sn]1(OC2=C(C=CC(=C2)N)C(=O)O1)CCCC","DUBOSVIRXUWDTK-UHFFFAOYSA-L",16683126,NA,"PDBC25232","628561","Present",NA,NA
+"25233","4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,3,2-Benzodioxastannin-4-one, 7-amino-2,2-diphenyl-",NA,"C1=CC=C(C=C1)[Sn]2(OC3=C(C=CC(=C3)N)C(=O)O2)C4=CC=CC=C4","ZZZTUTZUPNGAHB-UHFFFAOYSA-L",16683127,NA,"PDBC25233","628562","Present",NA,NA
+"25234","4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-(2-phenylethenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,3-Thiazine, 5,6-dihydro-4,4-dimethyl-2-(2-phenyleth...",NA,"CC1(CCSC(=N1)C=CC2=CC=CC=C2)C","JNTQZYJXSXRQBP-CMDGGOBGSA-N",6078562,NA,"PDBC25234","150954","Present",NA,NA
+"25235","4H-1,4-Benzothiazine-2-carboxylic acid, 4-methyl-3-phenyl-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,4-Benzothiazine-2-carboxylic acid, 4-methyl-3-phenyl-, ethyl ester",NA,"CCOC(=O)C1=C(N(C2=CC=CC=C2S1)C)C3=CC=CC=C3","HSBKWBGCWHXGII-UHFFFAOYSA-N",354059,NA,"PDBC25235","604290","Present",NA,NA
+"25236","4H-1,6,2-Dioxazaphosphocinium, 4-hexadecyltetrahydro-2,6,6-trimethyl-, bromide, 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,3,6,2-Dioxazaphosphocinium, 4-hexadecyltetrahydro- ...",NA,"CCCCCCCCCCCCCCCCC1C[N+](CCOP(=O)(O1)C)(C)C.[Br-]","GJVZYQWEUPEDEU-DVASCVOVSA-M",9571955,NA,"PDBC25236","678144","Present",NA,NA
+"25237","4H-1-Benzopyran-2-carboxamide, 4-[(aminothioxomethyl)hydrazono]-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-3-methyl-, (4Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-4-(Carbamothioylhydrazinylidene)-N-[4-chloro-3-(trifluoromethyl)phenyl]-7-hydroxy-3-methylchromene-2-carboxamide",NA,"CC1=C(OC2=C(C1=NNC(=S)N)C=CC(=C2)O)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F","SVIMIXUSMWIVGH-YSMPRRRNSA-N",135499173,NA,"PDBC25237","642064","Present",NA,NA
+"25238","4H-1-Benzopyran-4-one, 3-(acetyloxy)-2-[2-(4-ethoxyphenyl)-4-thiazolyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 3-(acetyloxy)-2-[2-(4-ethoxyphenyl)-4-thiazolyl]-",NA,"CCOC1=CC=C(C=C1)C2=NC(=CS2)C3=C(C(=O)C4=CC=CC=C4O3)OC(=O)C","JBHJZZHTMDDMLQ-UHFFFAOYSA-N",378563,NA,"PDBC25238","661202","Present",NA,NA
+"25239","4H-1-Benzopyran-4-one, 3-[(3,4-dimethoxyphenyl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 3-[(3,4-dimethoxyphenyl)methyl]-",NA,"COC1=C(C=C(C=C1)CC2=COC3=CC=CC=C3C2=O)OC","WHMBWOUGVNZHCX-UHFFFAOYSA-N",355691,NA,"PDBC25239","609800","Present",NA,NA
+"25240","4H-1-Benzopyran-4-one, 3-[(deoxyhexosyl)oxy]-2-(3,4-dihy...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 3-[(deoxyhexosyl)oxy]-2-(3,4-dihy...",NA,NA,NA,NA,NA,"PDBC25240","167410","Present",NA,NA
+"25241","4H-1-Benzopyran-4-one, 6-hydroxy-2-(2,3,4-trimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 6-hydroxy-2-(2,3,4-trimethoxyphenyl)-",NA,"COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)O)OC)OC","JZKKBDHEMSLXMZ-UHFFFAOYSA-N",373141,NA,"PDBC25241","649084","Present",NA,NA
+"25242","4H-1-Benzopyran-4-one, 7-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 7-[2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy]-2-phenyl-",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5","VSRMJNSPSMHNEA-UHFFFAOYSA-N",371316,NA,"PDBC25242","645390","Present",NA,NA
+"25243","4H-1-Benzopyran-4-one, 7-hydroxy-2-(2,3,4-trimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 7-hydroxy-2-(2,3,4-trimethoxyphenyl)-",NA,"COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)OC)OC","HBXWDZAQZGXSHT-UHFFFAOYSA-N",5467242,NA,"PDBC25243","649086","Present",NA,NA
+"25244","4H-1-Benzopyran-4-one,3-dihydro-7,8-dimethoxy-3-[(dimethylamino)methyl]-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 2,3-dihydro-7,8-dimethoxy- 3-[(di...",NA,"CN(C)CC1COC2=C(C1=O)C=CC(=C2OC)OC.Cl","KPUJSODUEYQZBA-UHFFFAOYSA-N",355373,NA,"PDBC25244","608776","Present",NA,NA
+"25245","4H-1-Benzopyran-4-one,8-difluoro-7-methyl-,trihydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 5-amino-2- [4-[[2-amino-5-guanidi...",NA,"CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)C(CCCN=C(N)N)N)F)N)F.Br","HZKGNYOBJKFGRN-UHFFFAOYSA-N",396727,NA,"PDBC25245","703357","Present",NA,NA
+"25246","4H-1-Benzopyran-6-carboxaldehyde, 6-[O-(ethyl)oxime]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one,6-[[(ethoxy)imino]methyl]-2-phenyl-",NA,"CCON=CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3","MUXBPGNSFGGFPI-UNOMPAQXSA-N",9572386,NA,"PDBC25246","715142","Present",NA,NA
+"25247","4H-1-Benzopyran-8-carboxamide, 6,7-dimethyl-4-oxo-2-(4-pyridinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-8-carboxamide, 6,7-dimethyl-4-oxo-2-(4-pyridinyl)-",NA,"CC1=CC2=C(C(=C1C)C(=O)N)OC(=CC2=O)C3=CC=NC=C3","LMKGJHQEIQMDOD-UHFFFAOYSA-N",367587,NA,"PDBC25247","637419","Present",NA,NA
+"25248","4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzothiopyran-4-one, 2-(methylsulfinyl)-",NA,"CS(=O)C1=CC(=O)C2=CC=CC=C2S1","KVLAIBRBZGWARL-UHFFFAOYSA-N",360259,NA,"PDBC25248","622281","Present",NA,NA
+"25249","4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzothiopyran-4-one, 2-(methylsulfonyl)-",NA,"CS(=O)(=O)C1=CC(=O)C2=CC=CC=C2S1","OOJMVHRMWQYPHX-UHFFFAOYSA-N",360260,NA,"PDBC25249","622282","Present",NA,NA
+"25250","4H-4a,7-Methanooxazirino[3,2-i][2,1]benzisothiazole, tetrahydro-8,8-dimethyl-, 3,3-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-4a,7-Methanooxazirino[3,2-i][2,1]benzisothiazole, tetrahydro-8,8-dimethyl-, 3,3-dioxide",NA,"CC1(C2CCC3(C2)C14N(O4)S(=O)(=O)C3)C","FFWFDGNDTZYXOE-UHFFFAOYSA-N",374570,NA,"PDBC25250","652544","Present",NA,NA
+"25251","4H-Benzo[h][1,4]benzothiazine-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Benzo[h][1,4]benzothiazine-3-thione",NA,"C1C(=S)NC2=C(S1)C3=CC=CC=C3C=C2","QRKULOHBEXBATE-UHFFFAOYSA-N",3005004,NA,"PDBC25251","667465","Present",NA,NA
+"25252","4H-Cyclopenta[c]thiophen-4-one,3,5-tribromo-5,6-dihydro-6-[(trifluoroacetyl)amino]-, trans-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-(1,3,5-tribromo-5,6-dihydro-4-oxo-4H-cyclop...",NA,"C1(C(C(=O)C2=C(SC(=C21)Br)Br)Br)NC(=O)C(F)(F)F","IFSRPZREBSTVHH-SRBOSORUSA-N",378805,NA,"PDBC25252","662124","Present",NA,NA
+"25253","4H-Cyclopenta[c]thiophen-4-one,3-dibromo-5,6-dihydro-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Cyclopenta[c]thiophen-4-one, 6-amino-1,3-dibromo- 5,6...",NA,"C1C(C2=C(SC(=C2C1=O)Br)Br)N.Cl","HXCFEYYELAIKBY-UHFFFAOYSA-N",378794,NA,"PDBC25253","662116","Present",NA,NA
+"25254","4H-Cyclopenta[c]thiophen-4-one,6-dihydro-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Cyclopenta[c]thiophen-4-one, 6-amino-1-chloro-5,6-dih...",NA,"C1C(C2=C(SC=C2C1=O)Cl)N.Cl","JTQKEKROKUEZIX-UHFFFAOYSA-N",396931,NA,"PDBC25254","704115","Present",NA,NA
+"25255","4H-Cyclopenta[c]thiophene-4-one,3-dichloro-5,6-dihydro-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Cyclopenta[c]thiophene-4-one, 6-amino- 1,3-dichloro-5...",NA,"C1C(C2=C(SC(=C2C1=O)Cl)Cl)N.Cl","QUFODXVQEAEWKE-UHFFFAOYSA-N",378799,NA,"PDBC25255","662120","Present",NA,NA
+"25256","4H-Imidazol-4-one, 5-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-2-(2-chloro-5-nitrophenyl)-3,5-dihydro-3-(phenylsulfonyl)-, (5Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[4-[(Z)-[1-(Benzenesulfonyl)-2-(2-chloro-5-nitrophenyl)-5-oxoimidazol-4-ylidene]methyl]-N-(2-cyanoethyl)anilino]propanenitrile",NA,"C1=CC=C(C=C1)S(=O)(=O)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","QWKSIPIXHVKNIR-ITYLOYPMSA-N",6184586,NA,"PDBC25256","642574","Present",NA,NA
+"25257","4H-Palmatine N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Palmatine N-oxide",NA,"COC1=C(C2=C(CC3C4=CC(=C(C=C4CC[N+]3(C2)[O-])OC)OC)C=C1)OC","QYEMUDHNCZHUKC-UHFFFAOYSA-N",371204,NA,"PDBC25257","645254","Present",NA,NA
+"25258","4H-Pyrano[2,3-a]acridin-4-one, 12-amino-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-12-amino-4H-1-oxa-7-azabenz[a]anthracen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=C(C5=CC=CC=C5N=C4C=C3)N","KJASZOGBCZIQRO-UHFFFAOYSA-N",385046,NA,"PDBC25258","675967","Present",NA,NA
+"25259","4H-Pyrazolo[1,5-a]indol-4-one semicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[1,5-a]indol-4-one semicarbazone",NA,"C1=CC=C2C(=C1)C(=C3N2NC=C3)N=NC(=O)N","XLJLKFNJRDJICY-UHFFFAOYSA-N",380997,NA,"PDBC25259","666974","Present",NA,NA
+"25260","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-4-(2-nitropheyl)-1-(phenylacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-4- (2-n...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3[N+](=O)[O-])C(=O)CC4=CC=CC=C4","UMYAYJQJVGJRLG-UHFFFAOYSA-N",376461,NA,"PDBC25260","657375","Present",NA,NA
+"25261","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-4-phenyl-1-(phenylacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 3-methyl-4- phen...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)CC4=CC=CC=C4","LWSAWOCJQJKXEL-UHFFFAOYSA-N",376455,NA,"PDBC25261","657369","Present",NA,NA
+"25262","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(3,4-dimethoxyphenyl)-3-methyl-1-[(4-pyridinyl)carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(3,4- dimethox...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=NC=C4","YRLAITACTMMMCU-UHFFFAOYSA-N",376867,NA,"PDBC25262","657986","Present",NA,NA
+"25263","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-chlorophenyl)-3-methyl-1-[(4-pyridinyl)carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-chloropheny...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)Cl)C(=O)C4=CC=NC=C4","FTVCYNWDCDFJME-UHFFFAOYSA-N",376863,NA,"PDBC25263","657982","Present",NA,NA
+"25264","4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-hydroxyphenyl)-3-methyl-1-(phenylacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-hydroxy phe...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)O)C(=O)CC4=CC=CC=C4","KZIIHHQRCNRCIL-UHFFFAOYSA-N",376460,NA,"PDBC25264","657374","Present",NA,NA
+"25265","4H-Pyrido[1,2-a]pyrimidin-4-one, 6-methyl-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrido[1,2-a]pyrimidin-4-one, 6-methyl-2-phenyl-",NA,"CC1=CC=CC2=NC(=CC(=O)N12)C3=CC=CC=C3","VENOCGRRHSRJKR-UHFFFAOYSA-N",377421,NA,"PDBC25265","658864","Present",NA,NA
+"25266","4H-Pyrido[1,2-a]pyrimidin-4-one, 8-methyl-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrido[1,2-a]pyrimidin-4-one, 8-methyl-2-phenyl-",NA,"CC1=CC2=NC(=CC(=O)N2C=C1)C3=CC=CC=C3","GZKULHFHGSQYTP-UHFFFAOYSA-N",377423,NA,"PDBC25266","658866","Present",NA,NA
+"25267","4H-Pyrrolo[2,1-c][1,4]benzothiazine-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrrolo[2,1-c][1,4]benzothiazine-4-carbonitrile",NA,"C1=CC=C2C(=C1)N3C=CC=C3C(S2)C#N","YAPOHDRLWFYBPW-UHFFFAOYSA-N",361711,NA,"PDBC25267","624952","Present",NA,NA
+"25268","4H-Quinolizin-4-one, 3-(2-pyridinyl)-1-(3-pyridinylcarbonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Quinolizin-4-one, 3-(2-pyridinyl)-1-(3-pyridinylcarbo...",NA,"C1=CC=NC(=C1)C2=CC(=C3C=CC=CN3C2=O)C(=O)C4=CN=CC=C4","TWPLDXHBNFYCJP-UHFFFAOYSA-N",331544,NA,"PDBC25268","324623","Present",NA,NA
+"25269","4H-Thiopyran-4-one,5-bis(p-methoxybenzylidene)-, 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylid...",NA,"COC1=CC=C(C=C1)C=C2CS(=O)(=O)CC(=CC3=CC=C(C=C3)OC)C2=O","NXXRLIAVYCJUJL-JYFOCSDGSA-N",6310035,NA,"PDBC25269","144302","Present",NA,NA
+"25270","4H-Thiopyran-4-one,5-bis[(3,4-dimethoxyphenyl) methylene]-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Thiopyran-4-one, 3,5-bis[(3,4-dimethoxyphenyl) methyl...",NA,"COC1=C(C=C(C=C1)C=C2CSCC(=CC3=CC(=C(C=C3)OC)OC)C2=O)OC","SXZBYUVSZLNKJM-XFQWXJFMSA-N",45280986,NA,"PDBC25270","144310","Present",NA,NA
+"25271","4H-[1,2,4]Dithiazino[5,4-a]isoquinoline-4-thione, 1-(3,4-dimethoxyphenyl)-6,7-dihydro-9,10-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dimethoxyphenyl)-9,10-dimethoxy-6,7-dihydro-[1,2,4]dithiazino[5,4-a]isoquinoline-4-thione",NA,"COC1=C(C=C(C=C1)C2=C3C4=CC(=C(C=C4CCN3C(=S)SS2)OC)OC)OC","JCSMQORDTZEHEB-UHFFFAOYSA-N",363054,NA,"PDBC25271","627603","Present",NA,NA
+"25272","4H-[1,4]Thiazino[3,2-c]quinoline-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-[1,4]Thiazino[3,2-c]quinoline-3-thione",NA,"C1C(=S)NC2=C(S1)C3=CC=CC=C3N=C2","YMEHBYXWBRQUML-UHFFFAOYSA-N",3005005,NA,"PDBC25272","667466","Present",NA,NA
+"25273","4H-[1]Benzopyrano[2,3-d]pyrimidin-4-one, 2,3-dihydro-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-[1]Benzopyrano[2,3-d]pyrimidin-4-one, 2,3-dihydro-2-p...",NA,"C1=CC=C(C=C1)C2NC(=O)C3=CC4=CC=CC=C4OC3=N2","YHSNMJKVNPGZPI-UHFFFAOYSA-N",319428,NA,"PDBC25273","263637","Present",NA,NA
+"25274","4HK6BOI7TS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4HK6BOI7TS",NA,"CCN1C2=CC=CC=C2C3=C1N=C(N=N3)NCCCO","BHDPDPOTBJSYME-UHFFFAOYSA-N",302044,NA,"PDBC25274","183519","Present",NA,NA
+"25275","4HO2NF1XS3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4HO2NF1XS3",NA,"C1=CC=C2C(=C1)C3=C(C(=O)O2)SC4=CC=CC=C4N3","BUPPVTUKPWAYCH-UHFFFAOYSA-N",338569,NA,"PDBC25275","361671","Present",NA,NA
+"25276","4SC-202",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4SC-202",NA,NA,NA,NA,NA,"PDBC25276","759905","Present",NA,NA
+"25277","4[(Z)-2-(4-Nitrophenyl)ethenyl]-6-(4-phenylpiperazin-1-yl)-1,5-triazin-2-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4[(Z)-2-(4-nitrophenyl)ethenyl]-6-(4-phenylpiperazin-1-y...",NA,"C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC(=N3)N)C=CC4=CC=C(C=C4)[N+](=O)[O-]","NXSDNAQVYRZKBG-FLIBITNWSA-N",24205519,NA,"PDBC25277","736074","Present",NA,NA
+"25278","4a',8'-Dichloro-5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,2'-quinazolin]-4'(4a'H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a',8'-Dichloro-5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,2'-quinazolin]-4'(4a'H)-one",NA,"C1CCC2(CC1)NC(=O)C3(CCCC(C3=N2)Cl)Cl","ASJBUOKNTTYTBM-UHFFFAOYSA-N",381562,NA,"PDBC25278","668351","Present",NA,NA
+"25279","4a(2H)-Naphthalenecarboxylic acid, octahydro-, trans-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-9-Carboxydecalin",NA,"C1CCC2(CCCCC2C1)C(=O)O","VAMBVWHKUJPMEB-UHFFFAOYSA-N",18185,NA,"PDBC25279","643018","Present",NA,NA
+"25280","4a,4b-Dimethyltetrahydrocyclopropa[cd]pentalene-2,3(1H,2aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-Dimethyltricyclo[3.3.0.02,8]octane-3,7-dione",NA,"CC12CC(=O)C3C1(C3C(=O)C2)C","ULHYKDOPGVYDCC-UHFFFAOYSA-N",390952,NA,"PDBC25280","689205","Present",NA,NA
+"25281","4a,5,5a,7,8,13a,15,15a,15b,16-Decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;1-(3-carboxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a,5,5a,7,8,13a,15,15a,15b,16-Decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one;1-(3-carboxyphenyl)-2,5-dimethylpyrrole-3-carboxylic acid",NA,"CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C(=O)O.C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75","KTZBSILKJZMURY-UHFFFAOYSA-N",5458343,NA,"PDBC25281","159228","Present",NA,NA
+"25282","4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a,5,6,7,8,9a-Hexachloro-1,4,4a,9a-tetrahydroanthracene-9,10-dione",NA,"C1C=CCC2(C1(C(=O)C3=C(C2=O)C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)Cl","BATMELCQLQGSTJ-UHFFFAOYSA-N",233733,NA,"PDBC25282","32692","Present",NA,NA
+"25283","4a,5a-Epoxyhelianol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a,5a-Epoxyhelianol",NA,"CC(CCC=C(C)C)C1CCC2(C1(CCC3(C2CCC4(C3CCCO)C(O4)(C)C)C)C)C","AYKJELVQNBIBDG-HVNHQXPWSA-N",24202869,NA,"PDBC25283","726133","Present",NA,NA
+"25284","4a,5a-Epoxyhelianyl octanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a,5a-Epoxyhelianyl octanoate",NA,"CCCCCCCC(=O)OCCCC1C2(CCC3(C(CCC3(C2CCC14C(O4)(C)C)C)C(C)CCC=C(C)C)C)C","SRERAYKYXNJZNV-MFYBMULDSA-N",54612625,NA,"PDBC25284","726134","Present",NA,NA
+"25285","4a,8a-Dihydro-2-quinoxalinyl-N-benzylmethanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a,8a-Dihydro-2-quinoxalinyl-N-benzylmethanesulfonamide",NA,"C1=CC=C(C=C1)CNS(=O)(=O)CC2=NC3C=CC=CC3N=C2","QUPWKWAFQDBZKW-UHFFFAOYSA-N",370229,NA,"PDBC25285","642999","Present",NA,NA
+"25286","4a-Chloro-10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a-Chloro-10-ethyl-3-methyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione",NA,"CCN1C2=CC=CC=C2C(C3(C1=NC(=O)N(C3=O)C)Cl)C(SC)S(=O)(=O)C4=CC=C(C=C4)C","WEWIUIRZQURFFB-UHFFFAOYSA-N",370138,NA,"PDBC25286","642728","Present",NA,NA
+"25287","4a-Chloro-3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a-Chloro-3,10-dimethyl-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione",NA,"CC1=CC=C(C=C1)S(=O)(=O)C(C2C3=CC=CC=C3N(C4=NC(=O)N(C(=O)C24Cl)C)C)SC","CIUUFXLEJPMUSA-UHFFFAOYSA-N",370137,NA,"PDBC25287","642727","Present",NA,NA
+"25288","4a-Chloro-3-methyl-10-(4-methylphenyl)-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a-Chloro-3-methyl-10-(4-methylphenyl)-5-[(4-methylphenyl)sulfonyl-methylsulfanylmethyl]-5H-pyrimido[4,5-b]quinoline-2,4-dione",NA,"CC1=CC=C(C=C1)N2C3=CC=CC=C3C(C4(C2=NC(=O)N(C4=O)C)Cl)C(SC)S(=O)(=O)C5=CC=C(C=C5)C","XKVYEMJUDJRJJL-UHFFFAOYSA-N",370139,NA,"PDBC25288","642729","Present",NA,NA
+"25289","4a-Ethyl-1-methyl-4-phenylsulfanyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a-Ethyl-1-methyl-4-phenylsulfanyl-3,4,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-7-ol",NA,"CCC12CCC(C1N(CCC2SC3=CC=CC=C3)C)O","KXKOAQZKAXUINI-UHFFFAOYSA-N",357688,NA,"PDBC25289","617205","Present",NA,NA
+"25290","4a-Hydroperoxy-4,8a-dimethyl-6-(6-methyl-4-oxoheptan-2-yl)-5,6,7,8-tetrahydro-1H-naphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687956///NSC687957",NA,"CC1=CC(=O)CC2(C1(CC(CC2)C(C)CC(=O)CC(C)C)OO)C","NSYIWDWDFMSPJJ-UHFFFAOYSA-N",390516,NA,"PDBC25290","687956///687957","Present",NA,NA
+"25291","4a-Methyl-2,4,5,6-tetrahydrobenzo[h]cinnolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-33734",NA,"CC12CCC3=CC=CC=C3C1=NNC(=O)C2","XXPJSJVCOUWWCD-UHFFFAOYSA-N",369353,NA,"PDBC25291","641109","Present",NA,NA
+"25292","4a-Methyl-4,5-dihydro-2H-indeno[1,2-c]pyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a-Methyl-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one",NA,"CC12CC3=CC=CC=C3C1=NNC(=O)C2","CIJILHCZVGEYSL-UHFFFAOYSA-N",371429,NA,"PDBC25292","645649","Present",NA,NA
+"25293","4a-Methylspiro[1,2,3,4,4b,5,6,9,10,10a-decahydrophenanthrene-7,2'-1,3-dithiolane]-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a-methylspiro[1,2,3,4,4b,5,6,9,10,10a-decahydrophenanthrene-7,2'-1,3-dithiolane]-1-ol",NA,"CC12CCCC(C1CCC3=CC4(CCC23)SCCS4)O","DJORWESWXNGTQA-UHFFFAOYSA-N",372318,NA,"PDBC25293","647377","Present",NA,NA
+"25294","4a-Phenyl-2,3,4,5-tetrahydropyrido[1,2-a]benzimidazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4a-Phenyl-3,4,4a,5-tetrahydropyrido[1,2-a]benzimidazol-1(2h)-one",NA,"C1CC(=O)N2C3=CC=CC=C3NC2(C1)C4=CC=CC=C4","PVMDQNWDMMDSCD-UHFFFAOYSA-N",402100,NA,"PDBC25294","715821","Present",NA,NA
+"25295","4alpha-Methylergosta-8,11-dion-26-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antcin A",NA,"CC1C2CC(=C)C3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C","AOHVXUIUIGQIIP-TZPKLYSRSA-N",387396,NA,"PDBC25295","681144","Present",NA,NA
+"25296","4b,10b,11,12-Tetrahydro-6(5H)-chrysenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4b,10b,11,12-Tetrahydro-6(5H)-chrysenone",NA,"C1CC2=CC=CC=C2C3C1C4=CC=CC=C4C(=O)C3","IMCFKEKBLFADHG-UHFFFAOYSA-N",348345,NA,"PDBC25296","407613","Present",NA,NA
+"25297","4b,13b-Dibromo-4b,13b-dihydrobenzo[b]benzo[3,4]cyclobuta[1,2-d]benzo[f]thiepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4b,13b-Dibromo-4b,13b-dihydrobenzo[b]benzo[3,4]cyclobuta[1,2-d]benzo[f]thiepine",NA,"C1=CC=C2C(=C1)C3(C2(C4=CC=CC=C4SC5=CC=CC=C53)Br)Br","SVXQIOYAEZQALQ-UHFFFAOYSA-N",363741,NA,"PDBC25297","628932","Present",NA,NA
+"25298","4b,5,9b,10-Tetrahydroindeno[2,1-a]indene-5,10-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4b,5,9b,10-Tetrahydroindeno[2,1-a]indene-5,10-diol",NA,"C1=CC=C2C(C3C(C2=C1)C(C4=CC=CC=C34)O)O","ZHODMXFAYOBKEZ-UHFFFAOYSA-N",361737,NA,"PDBC25298","624979","Present",NA,NA
+"25299","4b,7,9b-Trihydroxy-5,9b-dihydroindeno[1,2-b]indol-10(4bH)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4b,7,9b-Trihydroxy-5,9b-dihydroindeno[1,2-b]indol-10(4bH)-one",NA,"C1=CC=C2C(=C1)C(=O)C3(C2(NC4=C3C=CC(=C4)O)O)O","JJSGUOMQPXUGKW-UHFFFAOYSA-N",368008,NA,"PDBC25299","638237","Present",NA,NA
+"25300","4b,9,9b-Trihydroxyindeno[1,2-b]benzofuran-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4b,9,9b-Trihydroxyindeno[1,2-b]benzofuran-10-one",NA,"C1=CC=C2C(=C1)C(=O)C3(C2(OC4=CC=CC(=C43)O)O)O","KKHBRWHPOSULMF-UHFFFAOYSA-N",368011,NA,"PDBC25300","638240","Present",NA,NA
+"25301","4b,9a-Dihydro-4b,9a-diphospha-9,10-dithiaindeno[1,2-a]indene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,2,3]Benzothiadiphospholo[2,3-b][1,2,3]benzothiadiphosphole",NA,"C1=CC=C2C(=C1)P3C4=CC=CC=C4SP3S2","OCGBCYFRMLQUHM-UHFFFAOYSA-N",362962,NA,"PDBC25301","627453","Present",NA,NA
+"25302","4b-(4-Chlorophenyl)-6,11-dihydro-5H-isoindolo[2,1-b][2,4]benzodiazepin-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4b-(4-Chlorophenyl)-6,11-dihydro-5H-isoindolo[2,1-b][2,4]benzodiazepin-13-one",NA,"C1C2=CC=CC=C2CN3C(=O)C4=CC=CC=C4C3(N1)C5=CC=C(C=C5)Cl","SBXMNLLYRHZOLC-UHFFFAOYSA-N",395644,NA,"PDBC25302","700426","Present",NA,NA
+"25303","4b-Hydroxy-10,10-dimethoxy-9aH-indeno[1,2-a]inden-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4b-Hydroxy-10,10-dimethoxy-9aH-indeno[1,2-a]inden-9-one",NA,"COC1(C2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C41)O)OC","XMAFWSHOTJIKIO-UHFFFAOYSA-N",363252,NA,"PDBC25303","628000","Present",NA,NA
+"25304","4b-Methyl-5H-isoindolo[2,1-a]benzimidazol-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SQCXGPKAYHPKFP-UHFFFAOYSA-N",NA,"CC12C3=CC=CC=C3C(=O)N1C4=CC=CC=C4N2","SQCXGPKAYHPKFP-UHFFFAOYSA-N",390170,NA,"PDBC25304","687316","Present",NA,NA
+"25305","4beta-Hydroxywithanolide E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"withanolide e, 4-b-hydroxy-",NA,"CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)C)O)O)O)C","UPBUGICUKQIKTJ-KABTZXSUSA-N",73621,NA,"PDBC25305","212509","Present",NA,NA
+"25306","4e20",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4e20",NA,"CCN(CC)C1=CC=C(C=C1)C=CC2=CC=NC3=CC=CC=C23","RHVPFAMWEKAIHJ-FMIVXFBMSA-N",5473443,NA,"PDBC25306","4240","Present",NA,NA
+"25307","4jr5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4jr5",NA,"C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CN=CC=C3","NIADLWNDYLCGNO-UHFFFAOYSA-N",2803102,NA,"PDBC25307","247022","Present",NA,NA
+"25308","4rlk",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4rlk",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C2=NN=CC4=CC=C(C=C4)C(=O)O","UDYNXPSETJWNEU-LPYMAVHISA-N",5351986,NA,"PDBC25308","120688","Present",NA,NA
+"25309","5'(2',2'-Difluoro-2'-deoxycytidine) 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'(2',2'-difluoro-2'-deoxycytidine) 5-nitrofurfuryl N-me...",NA,"CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(F)F)O)OCC3=CC=C(O3)[N+](=O)[O-]","VYOGFXOEPZYEJF-UHFFFAOYSA-N",24204454,NA,"PDBC25309","731981","Present",NA,NA
+"25310","5', 5'-Deoxy-5'-(2-hydroxyethyl)-,(R)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5',6-Cyclouridine, 5'-deoxy-5'-(2-hydroxyethyl)-,(R)",NA,"C1=C2C(C3C(C(C(N2C(=O)NC1=O)O3)O)O)CCO","PWMCYEQTMFUEHJ-FRDRMYAUSA-N",6711644,NA,"PDBC25310","634016","Present",NA,NA
+"25311","5', 5'-Deoxy-5'-(2-hydroxyethyl)-,(S)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5',6-Cyclouridine, 5'-deoxy-5'-(2-hydroxyethyl)-,(S)",NA,"C1=C2C(C3C(C(C(N2C(=O)NC1=O)O3)O)O)CCO","PWMCYEQTMFUEHJ-RTEWBAISSA-N",6711645,NA,"PDBC25311","634017","Present",NA,NA
+"25312","5',3'''-Dihydroxyamentoflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5',3'''-Dihydroxyamentoflavone",NA,"C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C(=CC(=C4)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O)O","BRFJUPCQCZSTEU-UHFFFAOYSA-N",5469099,NA,"PDBC25312","683135","Present",NA,NA
+"25313","5',5',6-Trimethyl-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,6'-Trimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-thione",NA,"CC1=CC2=C(C=C1)OC3(C=C2)C(OC(=S)N3C4=CC=CC=C4)(C)C","XLGDTDCOSGHPFA-UHFFFAOYSA-N",392265,NA,"PDBC25313","692406","Present",NA,NA
+"25314","5',5'-Dimethyl-3'-phenyl-spiro[benzo[g]chromene-2,4'-oxazolidine]-2'-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-benzo[g]chromene]-2-thione",NA,"CC1(C2(C=CC3=CC4=CC=CC=C4C=C3O2)N(C(=S)O1)C5=CC=CC=C5)C","FSEHWEMHYLMOFB-UHFFFAOYSA-N",392266,NA,"PDBC25314","692407","Present",NA,NA
+"25315","5',5'-Dimethyl-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-thione",NA,"CC1(C2(C=CC3=CC=CC=C3O2)N(C(=S)O1)C4=CC=CC=C4)C","OIRGKEOLHYXKMJ-UHFFFAOYSA-N",392264,NA,"PDBC25315","692405","Present",NA,NA
+"25316","5',5'-Dimethyl-6,8-dinitro-3'-phenyl-spiro[chromene-2,4'-oxazolidine]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-6',8'-dinitro-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-one",NA,"CC1(C2(C=CC3=C(O2)C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N(C(=O)O1)C4=CC=CC=C4)C","UKMDLFSPDCIEIP-UHFFFAOYSA-N",392263,NA,"PDBC25316","692404","Present",NA,NA
+"25317","5',6'-Dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5',6'-Dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione",NA,"CC1=CC2=C(C=C1C)C(=O)C3(C2)CC4=C(C3=O)C=C5CCCC5=C4","RIKFMTJIAUIXIL-UHFFFAOYSA-N",393820,NA,"PDBC25317","696641","Present",NA,NA
+"25318","5',6,7,7'-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5',6,7,7'-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=C(C2=C(CC3(C2=O)CC4=CC(=CC(=C4C3=O)C)C)C=C1)C","TWQKCPQAOKRRQX-UHFFFAOYSA-N",393825,NA,"PDBC25318","696646","Present",NA,NA
+"25319","5'-Allyl-2'-hydroxy-3,3',4-trimethoxy chalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Allyl-2'-hydroxy-3,3',4-trimethoxy chalcone",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=C(C(=CC(=C2)CC=C)OC)O)OC","ULTGOGCFAAQLHT-VQHVLOKHSA-N",5459194,NA,"PDBC25319","641522","Present",NA,NA
+"25320","5'-Amino-1,2',3-tetrahydrospiro[benzimidazole-2,3'-pyrazo le]-4'-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Amino-1,1',2',3-tetrahydrospiro[benzimidazole-2,3'-py...",NA,"C1=CC=C2C(=C1)NC3(N2)C(C(=NN3)N)C#N","UKSKCCXBPLJTOH-UHFFFAOYSA-N",24203820,NA,"PDBC25320","729678","Present",NA,NA
+"25321","5'-Amino-2',3-benzothiazole-2,3'-pyraz ole]-4'-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Amino-2',4'-dihydro-3H-spiro[1,3-benzothiazole-2,3'-p...",NA,"C1=CC=C2C(=C1)NC3(S2)C(C(=NN3)N)C#N","XBUYYQZXMFESAO-UHFFFAOYSA-N",24203986,NA,"PDBC25321","730307","Present",NA,NA
+"25322","5'-Arabinocytosyl 5-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Arabinocytosyl 5-nitrofurfuryl N-methyl-N-(4-chlorobu...",NA,"CN(CCCCCl)P(=O)(OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)OCC3=CC=C(O3)[N+](=O)[O-]","DBZSAYCDXAPJNK-UHFFFAOYSA-N",404844,NA,"PDBC25322","721388","Present",NA,NA
+"25323","5'-Biotin Phosphoramidite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BP-22493",NA,"CC(C)N(C(C)C)P(OCCCCCCNC(=O)CCCCC1C2C(CS1)N(C(=O)N2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)OCCC#N","RBXYKQBFPLXSJS-UHFFFAOYSA-N",373258,NA,"PDBC25323","649352","Present",NA,NA
+"25324","5'-Chloro-2'-methoxy-3-nitrosalicylanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Chloro-2'-methoxy-3-nitrosalicylanilide",NA,"COC1=C(C=C(C=C1)Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","SXKNMJHRHWIFCI-UHFFFAOYSA-N",186169,NA,"PDBC25324","79459","Present",NA,NA
+"25325","5'-Chloro-3-hydroxy-2'-methyl-2-naphthanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naphtazol c",NA,"CC1=C(C=C(C=C1)Cl)NC(=O)C2=CC3=CC=CC=C3C=C2O","XZOACPDZZYNJER-UHFFFAOYSA-N",67275,NA,"PDBC25325","37187","Present",NA,NA
+"25326","5'-Chloro-4,2'-dihydroxychalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Chloro-4,2'-dihydroxychalcone",NA,"C1=CC(=CC=C1C=CC(=O)C2=C(C=CC(=C2)Cl)O)O","KXLQQFWERKUYLC-XVNBXDOJSA-N",5387866,NA,"PDBC25326","628749","Present",NA,NA
+"25327","5'-Formyl-2,5-bis(2'-selenyl)-N-methylpyrrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Formyl-2,5-bis(2'-selenyl)-N-methylpyrrol",NA,"CN1C(=CC=C1C2=CC=C([Se]2)C=O)C3=CC=C[Se]3","UAYWRURRGNAXRE-UHFFFAOYSA-N",394652,NA,"PDBC25327","698254","Present",NA,NA
+"25328","5'-Hydromethyl-2,5-bis-(2'selenyl)-N-methylpyrrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Hydromethyl-2,5-bis-(2'selenyl)-N-methylpyrrol",NA,"CN1C(=CC=C1C2=CC=C([Se]2)CO)C3=CC=C[Se]3","HBCHTTSHJKPLDF-UHFFFAOYSA-N",394653,NA,"PDBC25328","698255","Present",NA,NA
+"25329","5'-Iodoindirubin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Iodoindirubin",NA,"C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)I)O","JCJGSZCPPTXTGO-UHFFFAOYSA-N",124286,NA,"PDBC25329","717816","Present",NA,NA
+"25330","5'-O-(Dimethoxytrityl)-N(sup 1)-(2-nitrobenzyl)-2-azainosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-O-(Dimethoxytrityl)-N(sup 1)-(2-nitrobenzyl)-2-azaino...",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(C(C(O4)N5C=NC6=C5N=NN(C6=O)CC7=CC=CC=C7[N+](=O)[O-])O)O","RQSLPIDCZACCJF-UHFFFAOYSA-N",390777,NA,"PDBC25330","688542","Present",NA,NA
+"25331","5'-O-(Glycylsulfamoyl)adenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789934",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)NC(=O)CN)O)O)N","AMWPZASLDLLQFT-JJNLEZRASA-N",9909127,NA,"PDBC25331","789934","Present",NA,NA
+"25332","5'-O-Methylsulfamoyl adenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-O-Methylsulfamoyl adenosine",NA,"CNS(=O)(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O","CRTXBJCXARLOOM-UHFFFAOYSA-N",60147778,NA,"PDBC25332","752407","Present",NA,NA
+"25333","5'-O-Trimethylacetyl-2',3'-dideoxyguanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-O-Trimethylacetyl-2',3'-dideoxyguanosine",NA,"CC(C)(C)C(=O)OCC1CCC(O1)N2C=NC3=C2N=C(NC3=O)N","MGTHLBNNNHVXAL-UHFFFAOYSA-N",135450318,NA,"PDBC25333","639697","Present",NA,NA
+"25334","5'-Phenyl-2',4'-dihydrospiro[indole-3,3'-pyrazol]-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyrazol]-2-one",NA,"C1C(=NNC12C3=CC=CC=C3NC2=O)C4=CC=CC=C4","SIJIIIOIMOOJHY-UHFFFAOYSA-N",3728239,NA,"PDBC25334","767491","Present",NA,NA
+"25335","5'-Sulfamoyl-2-chloroadenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-265",NA,"C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COS(=O)(=O)N)O)O)Cl)N","JHUGCRSKMUFKHR-UUOKFMHZSA-N",125623,NA,"PDBC25335","797393","Present",NA,NA
+"25336","5'-[5-(Hydroxymethyl)-2-thienyl]-2,2'-bifuran-5-methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-(5'-(hydroxymethyl)-[2,2'-bifuran]-5-yl)thiophen-2-yl...",NA,"C1=C(OC(=C1)C2=CC=C(O2)C3=CC=C(S3)CO)CO","PKHWPMSVTXOQMF-UHFFFAOYSA-N",71530011,NA,"PDBC25336","777196","Present",NA,NA
+"25337","5'-acetyl-2,2'-spirobi[indane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-acetyl-2,2'-spirobi[indane]-1-one",NA,"CC(=O)C1=CC2=C(CC3(C2)CC4=CC=CC=C4C3=O)C=C1","SCSSDIICEJWFDF-UHFFFAOYSA-N",385662,NA,"PDBC25337","677008","Present",NA,NA
+"25338","5'-tct ccc agc gtg cgc cat (mw=5,685)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-tct ccc agc gtg cgc cat (mw=5,685)",NA,NA,NA,NA,NA,"PDBC25338","683428","Present",NA,NA
+"25339","5(4H)-Oxazolone, 2-phenyl-4-(phenylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC291///NSC3334",NA,"C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3","VFDOKJVMHZUBTN-KAMYIIQDSA-N",707067,NA,"PDBC25339","291///3334","Present",NA,NA
+"25340","5, 10-[(2,6-Dideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8S-cis)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Naphthacenedione, 10-[(2,6-dideoxy-.alpha.-L-lyxo-h...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)O)O","HEQRYQONNHFDHG-UFIVDHBISA-N",341996,NA,"PDBC25340","376739","Present",NA,NA
+"25341","5, 10-[[3-(Decylamino)-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl]oxy]-8-(1,2-dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Naphthacenedione, 10-[[3-(decylamino)-2,3,6-trideox...",NA,"CCCCCCCCCCNC1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O.Cl","IRIGUPFLCNQFMR-UHFFFAOYSA-N",24198315,NA,"PDBC25341","292685","Present",NA,NA
+"25342","5, 6-[[2-(3,4-Dihydroxyphenyl)ethyl] amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Quinolinedione, 6-[[2-(3,4-dihydroxyphenyl)ethyl] am...",NA,"C1=CC2=C(C(=O)C=C(C2=O)NCCC3=CC(=C(C=C3)O)O)N=C1","SPGLZCDHXNLXIV-UHFFFAOYSA-N",386229,NA,"PDBC25342","677947","Present",NA,NA
+"25343","5, 6-[[2-(3,4-Dimethoxyphenyl)ethyl] amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Quinolinedione, 6-[[2-(3,4-dimethoxyphenyl)ethyl] am...",NA,"COC1=C(C=C(C=C1)CCNC2=CC(=O)C3=C(C2=O)C=CC=N3)OC","GBMXZBOSWWULNX-UHFFFAOYSA-N",386232,NA,"PDBC25343","677950","Present",NA,NA
+"25344","5, 6-[[2-(4-Hydroxy-3-methoxyphenyl) ethyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Quinolinedione, 6-[[2-(4-hydroxy-3-methoxyphenyl) et...",NA,"COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)C=CC=N3)O","SKWUKKCGGDTCMI-UHFFFAOYSA-N",386227,NA,"PDBC25344","677944","Present",NA,NA
+"25345","5, 7-[(2,2-Diphenylethyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Quinolinedione, 7-[(2,2-diphenylethyl)amino]-",NA,"C1=CC=C(C=C1)C(CNC2=CC(=O)C3=C(C2=O)N=CC=C3)C4=CC=CC=C4","VTOARLHNQXXNDB-UHFFFAOYSA-N",386917,NA,"PDBC25345","679824","Present",NA,NA
+"25346","5, 7-[[2-(4-Hydroxy-3-methoxyphenyl) ethyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Quinolinedione, 7-[[2-(4-hydroxy-3-methoxyphenyl) et...",NA,"COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)N=CC=C3)O","FSDMHSWNWWKMIF-UHFFFAOYSA-N",386230,NA,"PDBC25346","677948","Present",NA,NA
+"25347","5, 8-Acetyl-10-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-(phenylmethoxy)-, hydrochloride, (8S-cis)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Naphthacenedione, 8-acetyl-10-[(3-amino-2,3,6-tride...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OCC6=CC=CC=C6)O)(C(=O)C)O)N)O.Cl","FNNZUSXZJDGOAO-XDXXNSIGSA-N",24198091,NA,"PDBC25347","286628","Present",NA,NA
+"25348","5,10,10-Trimethylbenzo[b][1,4]benzazastannine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenazastanine, 5,10-dihydro-5,10,10-trimethyl-",NA,"CN1C2=CC=CC=C2[Sn](C3=CC=CC=C31)(C)C","HDLOTGARUIVRDY-UHFFFAOYSA-N",273088,NA,"PDBC25348","118028","Present",NA,NA
+"25349","5,10,15,20-Tetra(5-chloropentyl)-21H,23H-porphyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10,15,20-Tetrakis(5-chloropentyl)porphyrin",NA,"C1=CC2=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=N5)C(=C1N2)CCCCCCl)CCCCCCl)CCCCCCl)CCCCCCl","OIRLEOFDWVTZLB-UHFFFAOYSA-N",382956,NA,"PDBC25349","670861","Present",NA,NA
+"25350","5,10,15,20-Tetrakisdecyl-21H,23H-porphyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10,15,20-Tetrakis(decyl)porphyrin",NA,"CCCCCCCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCCCCCCC)CCCCCCCCCC)CCCCCCCCCC)N2","RJLWYNLEBVZGNO-UHFFFAOYSA-N",382955,NA,"PDBC25350","670860","Present",NA,NA
+"25351","5,10,15,20-Tetrapentyl-21H,23H-porphyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrapentylporphyrin",NA,"CCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCC)CCCCC)CCCCC)N2","VUXOBUBUKWHDEL-UHFFFAOYSA-N",382954,NA,"PDBC25351","670859","Present",NA,NA
+"25352","5,10-Bis-epi-anamarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10-bis-epi-anamarine",NA,"CC(C(C(C(C=CC1CC=CC(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","IIGKKKGWVQSBLY-CQDCALOPSA-N",45028007,NA,"PDBC25352","740560","Present",NA,NA
+"25353","5,10-Butanopyridazino[1,2-a]pyridazinedium, octahydro-, ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10-Butanopyridazino[1,2-a]pyridazinedium, octahydro-, ...",NA,NA,NA,NA,NA,"PDBC25353","634176","Present",NA,NA
+"25354","5,10-Dihydro-1H-pyrazolo[1,2-b]phthalazin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10-Dihydro-1H-pyrazolo[1,2-b]phthalazin-1-one",NA,"C1C2=CC=CC=C2CN3N1C=CC3=O","WOZXJTAVYCNEGS-UHFFFAOYSA-N",385002,NA,"PDBC25354","675833","Present",NA,NA
+"25355","5,10-Dihydroxy-1-[4-(4-hydroxypiperidin-1-yl)butyl]naphtho[2,3-f]indole-4,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-dihydroxy-1-[4-(4-hydroxy-1-piperidinyl)butyl]-1H-n...",NA,"C1CN(CCC1O)CCCCN2C=CC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O","VTQJJEHZNHWAKP-UHFFFAOYSA-N",135585395,NA,"PDBC25355","726435","Present",NA,NA
+"25356","5,10-Dihydroxy-1-methylbenzo[g]quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10-Dihydroxy-1-methylbenzo[g]quinolin-4(1h)-one",NA,"CN1C=CC(=O)C2=C(C3=CC=CC=C3C(=C21)O)O","OTMSEXSMOXHUDW-UHFFFAOYSA-N",406557,NA,"PDBC25356","724705","Present",NA,NA
+"25357","5,10-Dihydroxy-3-[(4-methylpiperazin-1-yl)methyl]-1H-naphtho[2,3-f]indole-4,11-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-dihydroxy-3-[(4-methyl-1-piperazinyl)methyl]-1H-nap...",NA,"CN1CCN(CC1)CC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O.Cl","JBMSAAIHTMIMHQ-UHFFFAOYSA-N",135585400,NA,"PDBC25357","726441","Present",NA,NA
+"25358","5,10-Dihydroxy-3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1H-naphtho[2,3-f]indole-4,11-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,11-dihydroxy-3-{[4-(2-hydroxyethyl)-1-piperazinyl]meth...",NA,"C1CN(CCN1CCO)CC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O.Cl","JCRIGQYUMRODFZ-UHFFFAOYSA-N",135585401,NA,"PDBC25358","726442","Present",NA,NA
+"25359","5,10-Dihydroxy-3-[[[(2R)-pyrrolidin-2-yl]amino]methyl]-1H-naphtho[2,3-f]indole-4,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-4,11-dihydroxy-3-((pyrrolidin-3-ylamino)methyl)-1H-n...",NA,"C1CC(NC1)NCC2=CNC3=C2C(=O)C4=C(C5=CC=CC=C5C(=C4C3=O)O)O","WGOXNHGZDZZLDT-CYBMUJFWSA-N",155809885,NA,"PDBC25359","766920","Present",NA,NA
+"25360","5,10-Dihydroxy-7,8-dihydrobenzo[g]isoquinoline-6,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10-Dihydroxy-7,8-dihydrobenzo[g]isoquinoline-6,9-dione",NA,"C1CC(=O)C2=C(C3=C(C=CN=C3)C(=C2C1=O)O)O","HLBOQAGQMVEOJQ-UHFFFAOYSA-N",135429963,NA,"PDBC25360","627524","Present",NA,NA
+"25361","5,10-Dimethoxy-2-methylbenzo[g]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10-Dimethoxy-2-methyl-benzo[g]quinoline",NA,"CC1=NC2=C(C3=CC=CC=C3C(=C2C=C1)OC)OC","AXQXCRLJVWJPMF-UHFFFAOYSA-N",387772,NA,"PDBC25361","681826","Present",NA,NA
+"25362","5,10-Dimethoxy-4-(4-methoxyphenyl)benzo[g]quinolin-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10-dimethoxy-4-(4-methoxyphenyl)benzo[g]quinolin-2(1H)...",NA,"COC1=CC=C(C=C1)C2=CC(=O)NC3=C(C4=CC=CC=C4C(=C23)OC)OC","ADTDUUWVPBZWJH-UHFFFAOYSA-N",54613526,NA,"PDBC25362","750106","Present",NA,NA
+"25363","5,10-Dimethoxybenzo[g]quinolin-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10-dimethoxybenzo[g]quinolin-2(1H)-one",NA,"COC1=C2C=CC(=O)NC2=C(C3=CC=CC=C31)OC","UTSLBFCWJRODMT-UHFFFAOYSA-N",54612875,NA,"PDBC25363","750104","Present",NA,NA
+"25364","5,10-Ethano-11H-dibenzo[a,d]cyclohepten-11-one, 5,10-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,10-Ethano-11H-dibenzo[a,d]cyclohepten-11-one, 5,10-dihydro-",NA,"C1CC2C3=CC=CC=C3C1C4=CC=CC=C4C2=O","GWUYNYYRKUCYTJ-UHFFFAOYSA-N",371070,NA,"PDBC25364","645009","Present",NA,NA
+"25365","5,11,17,23,29,35-Hexakis(2,4,4-trimethylpentan-2-yl)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-37,38,39,40,41,42-hexol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11,17,23,29,35-Hexakis(2,4,4-trimethylpentan-2-yl)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadeca",NA,"CC(C)(C)CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)C(C)(C)CC(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)CC(C)(C)C)C2)O)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)O","XAWIIUBBNTVTMC-UHFFFAOYSA-N",366251,NA,"PDBC25365","634598","Present",NA,NA
+"25366","5,11,17,23-Tetrakis(2-hydroxyethylsulfanylmethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11,17,23-Tetrakis(2-hydroxyethylsulfanylmethyl)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol",NA,"C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)CSCCO)CC5=C(C1=CC(=C5)CSCCO)O)O)CSCCO)CSCCO","GMGGHRPPKQVDHS-UHFFFAOYSA-N",373831,NA,"PDBC25366","650794","Present",NA,NA
+"25367","5,11,17,23-Tetratert-butyl-2,14-diphenylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11,17,23-Tetratert-butyl-2,14-diphenylpentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9(27),10,12,15,17,19(26),21(25),22-dodecaene-25,26,27,28-tetrol",NA,"CC(C)(C)C1=CC2=C(C(=C1)C(C3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)C(C)(C)C)C(C5=CC(=CC(=C5O)C2)C(C)(C)C)C6=CC=CC=C6)O)C(C)(C)C)C7=CC=CC=C7)O","SXHIECWNWDATFJ-UHFFFAOYSA-N",386985,NA,"PDBC25367","680296","Present",NA,NA
+"25368","5,11-Di oxo-11H-indeno[1,2-c]isoquinoline dihdrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-[3-(3-imidazolylpropyl)amino-1-propyl]-5,1...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCN5C=CN=C5.Cl","FPRVRLGHOOLJRI-UHFFFAOYSA-N",45027857,NA,"PDBC25368","728856","Present",NA,NA
+"25369","5,11-Dimethyl-10-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Dimethyl-10-(2,2,2-trifluoroethoxy)-6H-pyrido[4,3-b]carbazol-9-ol",NA,"CC1=C2C=CN=CC2=C(C3=C1NC4=C3C(=C(C=C4)O)OCC(F)(F)F)C","FKSSRGLBYHPRMR-UHFFFAOYSA-N",370281,NA,"PDBC25369","643126","Present",NA,NA
+"25370","5,11-Dimethyl-10H-pyrido[2,3-b]carbazol-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Dimethyl-10H-pyrido[2,3-b]carbazol-7-ol",NA,"CC1=C2C=CC=NC2=C(C3=C1C4=C(N3)C=CC(=C4)O)C","FPKMBJNMQXHMMC-UHFFFAOYSA-N",379123,NA,"PDBC25370","663337","Present",NA,NA
+"25371","5,11-Dimethyl-10H-pyrido[2,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ELLIPTICINE DERIV GLF-I-79-6B",NA,"CC1=C2C=CC=NC2=C(C3=C1C4=CC=CC=C4N3)C","GECKQKOYWIROSF-UHFFFAOYSA-N",341944,NA,"PDBC25371","376452","Present",NA,NA
+"25372","5,11-Dimethyl-10H-pyrido[3,4-b]carbazole-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663336",NA,"CC1=C2C=CN=CC2=C(C3=C1C4=C(N3)C=CC(=C4)O)C","DJCNFGYGVVLLQA-UHFFFAOYSA-N",379122,NA,"PDBC25372","663336","Present",NA,NA
+"25373","5,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CC1=CC2=C(C3=C1C(=O)C=CC3=O)N(C4=CC=CC=C42)C","YVAHCKKXKKJSPD-UHFFFAOYSA-N",372651,NA,"PDBC25373","648148","Present",NA,NA
+"25374","5,11-Dimethyl-2-propan-2-yl-10H-pyrido[3,4-b]carbazol-2-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Isopropyl-5,11-dimethyl-10H-pyrido[3,4-b]carbazol-2-iu...",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1C4=CC=CC=C4N3)C)C(C)C","CMZUQVFEPARAKX-UHFFFAOYSA-O",155813893,NA,"PDBC25374","785685","Present",NA,NA
+"25375","5,11-Dimethyl-3,4,7,8,9,10-hexahydro[1]benzofuro[2,3-g]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Dimethyl-3,4,7,8,9,10-hexahydro[1]benzofuro[2,3-g]isoquinoline",NA,"CC1=C2CCN=CC2=C(C3=C1OC4=C3CCCC4)C","YWWVOUMWNWHVST-UHFFFAOYSA-N",270883,NA,"PDBC25375","114016","Present",NA,NA
+"25376","5,11-Dimethyl-5H-quinindoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCRIS 7303",NA,"CC1=C2C3=CC=CC=C3N=C2N(C4=CC=CC=C14)C","HPNJLBZRPMSGCG-UHFFFAOYSA-N",133982,NA,"PDBC25376","660438","Present",NA,NA
+"25377","5,11-Dimethyl-6-propan-2-ylpyrido[4,3-b]carbazol-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Isopropyl-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-ol",NA,"CC1=C2C=CN=CC2=C(C3=C1N(C4=C3C=C(C=C4)O)C(C)C)C","ABVXIHSRVYOAJT-UHFFFAOYSA-N",13936933,NA,"PDBC25377","785691","Present",NA,NA
+"25378","5,11-Dimethyl-8-[2-(4-methylpiperazin-1-yl)ethoxy]-2,6-dihydropyrido[4,3-b]carbazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-dimethyl-9-[2-(4-methylpiperazin-1-yl)ethoxy]-2,6-d...",NA,"CC1=C2C=CNC(=O)C2=C(C3=C1NC4=C3C=CC(=C4)OCCN5CCN(CC5)C)C","KRHMTEJZDIZFBR-UHFFFAOYSA-N",155814932,NA,"PDBC25378","781774","Present",NA,NA
+"25379","5,11-Dimethyl-9-tert-butoxy-6H-pyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazole, 9-(1,1-dimethylethoxy)-5,11-dimethyl-",NA,"CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)(C)C)C","SCQKKVVJCVNXQD-UHFFFAOYSA-N",370276,NA,"PDBC25379","643119","Present",NA,NA
+"25380","5,11-Dioxo-11 H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-morpholinyl-1-ethyl)-3-nitro-5,11-dioxo...",NA,"C1COCCN1CCN2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C53","PLZBMMJNQSJKAY-UHFFFAOYSA-N",44410047,NA,"PDBC25380","734873","Present",NA,NA
+"25381","5,11-Dioxo-11H-indeno[1,2-c]iso quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-dihydro-6-methyl-3-nitro-5,11-dioxo-11H-indeno[1,2-c...",NA,"CN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C42","LWVGQCPNKFYRIV-UHFFFAOYSA-N",45027904,NA,"PDBC25381","737343","Present",NA,NA
+"25382","5,11-Dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-dimethylamino-1-propyl)-3-nitro-5,11-di...",NA,"CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C42","YCDQHUBKHGAHLN-UHFFFAOYSA-N",44409874,NA,"PDBC25382","734872","Present",NA,NA
+"25383","5,11-Dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-[3-(hydroxyethyl)amino-1-propyl]-5,11-diox...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCO.Cl","CHZGUGHKQTVQTD-UHFFFAOYSA-N",17755976,NA,"PDBC25383","740276","Present",NA,NA
+"25384","5,11-Dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-imidazolyl-1-propyl)-5,11-dioxo-11H-ind...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN5C=CN=C5.Cl","VNOLZGUVFGEXEL-UHFFFAOYSA-N",11246320,NA,"PDBC25384","726974","Present",NA,NA
+"25385","5,11-Dioxo-11H-indeno[1,2-c]isoquinoline Trifluoroacetate.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-guanidinyl-1-propyl)-5,11-dioxo-11H-ind...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN=C(N)N.C(=O)(C(F)(F)F)O","MECYMJPEQHSCNZ-UHFFFAOYSA-N",11167068,NA,"PDBC25385","728854","Present",NA,NA
+"25386","5,11-Dioxo-11H-indeno[1,2-c]isoquinoline bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-[(3-triethylammonium)-1-propyl]-5,11-dioxo...",NA,"CC[N+](CC)(CC)CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42.[Br-]","OXFUYESFCBLMBB-UHFFFAOYSA-M",11259930,NA,"PDBC25386","730630","Present",NA,NA
+"25387","5,11-Dioxo-11H-indeno{1,2-c] isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(4-amino-1-butyl)-5,11-dioxo-11H-indeno{1,...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCN.Cl","DPVMCOIVRZSKKX-UHFFFAOYSA-N",10338254,NA,"PDBC25387","726769","Present",NA,NA
+"25388","5,11-Dioxo-5-(propyl-3'-t-butoxycarbamoyl)-11H-i ndeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-5,11-dioxo-5-(propyl-3'-t-butoxycarbamoyl)-1...",NA,"CC(C)(C)OC(=O)NCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","HOQOQCKVHSRAKU-UHFFFAOYSA-N",11304253,NA,"PDBC25388","725047","Present",NA,NA
+"25389","5,11-Dioxo-6-(2-N-piperazine-1-ethyl)-11H-indeno [1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-5,11-dioxo-6-(2-N-piperazine-1-ethyl)-11H-in...",NA,"C1CN(CCN1)CCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53","JRHPKTJYGSGQMS-UHFFFAOYSA-N",11291330,NA,"PDBC25389","725670","Present",NA,NA
+"25390","5,11-Dioxo-6-(2-amino-1-ethyl)-11H-indeno[1,2-c] isoquinoline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-5,11-dioxo-6-(2-amino-1-ethyl)-11H-indeno[1,...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCN.Cl","SVMKVYMGTWVYQV-UHFFFAOYSA-N",11370830,NA,"PDBC25390","725669","Present",NA,NA
+"25391","5,11-Dioxo-6-(3-amino-1-propyl)-11H-indeno[1,2-c]isoquinoline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-5,11-dioxo-6-(3-amino-1-propyl)-11H-indeno[1...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN.Cl","XRCVODXFYLKFSO-UHFFFAOYSA-N",11427798,NA,"PDBC25391","725671","Present",NA,NA
+"25392","5,11a-Ethano-2H,5H-benzofuro[3,4-ef]isoquinoline, 1,3,4-trihydro-7,13,13-trimethoxy-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,7-Trimethoxy-15-methyl-5-oxa-15-azapentacyclo[8.6.2.01,12.04,12.06,11]octadeca-6,8,10,17-tetraene",NA,"CN1CCC23C4C(CC2(C1)C=CC5=C3C(=C(C=C5)OC)O4)(OC)OC","FRGLCSZKHVYAEC-UHFFFAOYSA-N",376962,NA,"PDBC25392","658162","Present",NA,NA
+"25393","5,12,19,22,25,28-Hexamethylidene-2lambda6,8lambda6,16lambda6-trithia-1,3,7,10,14,17-hexazatetracyclo[15.3.3.33,7.310,14]nonacosane 2,2,8,8,16,16-hexaoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12,19,22,25,28-Hexamethylidene-2lambda6,8lambda6,16lambda6-trithia-1,3,7,10,14,17-hexazatetracyclo[15.3.3.33,7.310,14]nonacosane 2,2,8,8,16,16-hexaoxide",NA,"C=C1CN2CC(=C)CN(C1)CS(=O)(=O)N3CC(=C)CN(CC(=C)C3)S(=O)(=O)N4CC(=C)CN(CC(=C)C4)S(=O)(=O)C2","CYEXGLQGDCQNRJ-UHFFFAOYSA-N",400564,NA,"PDBC25393","712686","Present",NA,NA
+"25394","5,12-Bis(2-azidobenzoyl)benzo[c][1,6]benzodiazocine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Bis(2-azidobenzoyl)benzo[c][1,6]benzodiazocine-6,11-dione",NA,"C1=CC=C2C(=C1)C(=O)N(C3=CC=CC=C3N(C2=O)C(=O)C4=CC=CC=C4N=[N+]=[N-])C(=O)C5=CC=CC=C5N=[N+]=[N-]","KKJSQMQTOBJCBO-UHFFFAOYSA-N",382987,NA,"PDBC25394","670945","Present",NA,NA
+"25395","5,12-Bis(azidomethyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Bis(azidomethyl)-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-4,6,11,13-tetrone",NA,"C1=CC2C3C(C1C4C2C(=O)N(C4=O)CN=[N+]=[N-])C5C3C(=O)N(C5=O)CN=[N+]=[N-]","SXTJRJDSPIUAOH-UHFFFAOYSA-N",353842,NA,"PDBC25395","603100","Present",NA,NA
+"25396","5,12-Di(1-piperidinyl)dibenzo[a,h]phenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(1-piperidyl)[?]",NA,"C1CCN(CC1)C2=CC3=C(C4=CC=CC=C42)N=C5C=C(C6=CC=CC=C6C5=N3)N7CCCCC7","QXZAXVPILHFJMI-UHFFFAOYSA-N",389843,NA,"PDBC25396","686475","Present",NA,NA
+"25397","5,12-Dibutyl-1,2,3,4,6,7,10,11,13,14,15,16-dodecahydrobenzo[b]benzo[8,9][1,10]phenanthrolino[3,2-j][1,10]phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12,24-Dibutyl-2,5,31,34-tetrazaoctacyclo[16.16.0.03,16.04,13.06,11.020,33.023,32.025,30]tetratriaconta-1,3(16),4,6(11),12,17,19,23,25(30),31,33-undecaene",NA,"CCCCC1=C2CCC3=CC4=CC5=C(C6=NC7=C(CCCC7)C(=C6CC5)CCCC)N=C4N=C3C2=NC8=C1CCCC8","VENCNPNTNUZZML-UHFFFAOYSA-N",373792,NA,"PDBC25397","650754","Present",NA,NA
+"25398","5,12-Diphenyl-3,10-dioxa-4,6,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-4,7,11-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Diphenyl-3,10-dioxa-4,6,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-4,7,11-triene",NA,"C1=CC=C(C=C1)C2=NOC3C2C4N(C(=NO4)C5=CC=CC=C5)N=C3","WOACHLMQEODUGR-UHFFFAOYSA-N",394221,NA,"PDBC25398","697508","Present",NA,NA
+"25399","5,14-Dimethyl-3,5,7,12,14,16-hexazapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-9,17-diene-4,6,13,15-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,14-Dimethyl-3,5,7,12,14,16-hexazapentacyclo[9.5.2.02,10.03,7.012,16]octadeca-9,17-diene-4,6,13,15-tetrone",NA,"CN1C(=O)N2CC=C3C4C=CC(C3N2C1=O)N5N4C(=O)N(C5=O)C","UZVHXUHVJAZIBT-UHFFFAOYSA-N",392333,NA,"PDBC25399","692609","Present",NA,NA
+"25400","5,15-Bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(1-methylquinolin-1-ium-6-yl)-21,23-dihydroporphyrin;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,15-Bis(1-methylpyridin-1-ium-4-yl)-10,20-bis(1-methylquinolin-1-ium-6-yl)-21,23-dihydroporphyrin;chloride",NA,"C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC8=C(C=C7)[N+](=CC=C8)C)C9=CC=[N+](C=C9)C)C=C4)C1=CC2=C(C=C1)[N+](=CC=C2)C)N3.[Cl-]","CYZVFNVPNYCNMF-UHFFFAOYSA-N",135436189,NA,"PDBC25400","712203","Present",NA,NA
+"25401","5,17,17-Trimethyl-12,16-dioxa-7-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Furo[3',2':3,4]benzopyrano[6,7-b]pyridine- 2,6,11-tri...",NA,"CC1=CC2=C(C(=O)C3=C(C2=O)C(OC4C3OC(=O)C4)(C)C)N=C1","VYFWHOTYQKJMNE-UHFFFAOYSA-N",387284,NA,"PDBC25401","680935","Present",NA,NA
+"25402","5,17,29-Tritert-butyl-38,40,42-trimethoxy-37,39,41-tris[(3-nitrophenyl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,17,29-Tritert-butyl-38,40,42-trimethoxy-37,39,41-tris[(3-nitrophenyl)methoxy]heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(3",NA,"CC(C)(C)C1=CC2=C(C(=C1)CC3=C(C(=CC=C3)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=CC=CC(=C5OCC6=CC(=CC=C6)[N+](=O)[O-])CC7=CC(=CC(=C7OC)CC8=CC=CC(=C8OCC9=CC(=CC=C9)[N+](=O)[O-])C2)C(C)(C)C)OC)OCC1=CC(=CC=C1)[N+](=O)[O-])OC","MBMPGQUCEHEMIL-UHFFFAOYSA-N",16129915,NA,"PDBC25402","679194","Present",NA,NA
+"25403","5,17,29-Tritert-butyl-38,40,42-trimethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,39,41-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,17,29-Tritert-butyl-38,40,42-trimethoxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,39,41-tr",NA,"CC(C)(C)C1=CC2=C(C(=C1)CC3=C(C(=CC=C3)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=CC=CC(=C5O)CC6=CC(=CC(=C6OC)CC7=CC=CC(=C7O)C2)C(C)(C)C)OC)O)OC","OEZZOMQOPFSTAJ-UHFFFAOYSA-N",386667,NA,"PDBC25403","679193","Present",NA,NA
+"25404","5,19-Dimethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene-2,16-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,19-Dimethyl-5,19-diazaheptacyclo[15.11.0.03,15.04,12.06,11.018,26.020,25]octacosa-1(17),3(15),4(12),6,8,10,13,18(26),20,22,24,27-dodecaene-2,16-dione",NA,"CN1C2=CC=CC=C2C3=C1C4=C(C=C3)C(=O)C5=C(C4=O)C=CC6=C5N(C7=CC=CC=C67)C","YPAVHGKGVMQLLB-UHFFFAOYSA-N",376315,NA,"PDBC25404","657029","Present",NA,NA
+"25405","5,19-Dioxa-2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,19-Dioxa-2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene",NA,"C1COCCNC2=CC=CC=CC2=NCCOCCN=C3C=CC=CC=C3N1","QVNBCFDUDRUHCZ-UHFFFAOYSA-N",358323,NA,"PDBC25405","618287","Present",NA,NA
+"25406","5,19-Dithia-2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,19-Dithia-2,8,16,22-tetrazatricyclo[21.5.0.09,15]octacosa-1,8,10,12,14,23,25,27-octaene",NA,"C1CSCCNC2=CC=CC=CC2=NCCSCCN=C3C=CC=CC=C3N1","UQBVMNWQIWJFJG-UHFFFAOYSA-N",358326,NA,"PDBC25406","618290","Present",NA,NA
+"25407","5,2,3,4-Tetrakis(p-tolyl)7-thiabicyclo[2.2.1]hep t-2-ene S-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dicyano-1,2,3,4-tetrakis(p-tolyl)7-thiabicyclo[2.2.1...",NA,"CC1=CC=C(C=C1)C2=C(C3(C(C(C2(S3=O)C4=CC=C(C=C4)C)C#N)C#N)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C","AGERCZBJANMYQO-LDJSEGPWSA-N",24205271,NA,"PDBC25407","734877","Present",NA,NA
+"25408","5,26-Azo-13,18-diazanediylidenedibenzo[i,t][1,4,7,12,15,18]hexathiacyclodocosin, 7,8,10,11,20,21,23,24-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,8,17,20,23-Hexathia-31,32,33,34-tetrazapentacyclo[22.6.2.29,16.010,15.025,30]tetratriaconta-1(31),9(34),10,12,14,16(33),24(32),25,27,29-decaene",NA,"C1CSC2=NN=C(C3=CC=CC=C32)SCCSCCSC4=NN=C(C5=CC=CC=C54)SCCS1","NJIDGWQPJJHSHH-UHFFFAOYSA-N",382161,NA,"PDBC25408","669609","Present",NA,NA
+"25409","5,3'-Biisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5'-bis(2-methyl-1H-indol-3-yl)-3,3'-biisoxazole",NA,"CC1=C(C2=CC=CC=C2N1)C3=CC(=NO3)C4=NOC(=C4)C5=C(NC6=CC=CC=C65)C","HWTVXZFFWYDNBU-UHFFFAOYSA-N",340663,NA,"PDBC25409","371684","Present",NA,NA
+"25410","5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMPK12113341",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O","GVLMRDDSMVCWKB-UHFFFAOYSA-N",369954,NA,"PDBC25410","642321","Present",NA,NA
+"25411","5,3'-Dihydroxy-6,7,8,4'-tetramethoxyflavanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,3'-dihydroxy-6,7,8,4'-tetramethoxyflavanone",NA,"COC1=C(C=C(C=C1)C2CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O","WBTIDXJSMUSRJQ-UHFFFAOYSA-N",91535337,NA,"PDBC25411","785304","Present",NA,NA
+"25412","5,3,3-Trifluoro-2-trifluoromethyl)propyl]benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoxazole, 5,6-dimethyl-2-[3,3,3-trifluoro-2-(trifluor...",NA,"CC1=CC2=C(C=C1C)OC(=N2)C=C(C(F)(F)F)C(F)(F)F","LVXLMKQEGJQKKG-UHFFFAOYSA-N",297305,NA,"PDBC25412","168415","Present",NA,NA
+"25413","5,3,5,6-Tetrachloro-pyridin-4-ylsulfanyl)-vinyl]-cyclohex-2-enone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-3-[2-(2,3,5,6-tetrachloro-pyridin-4-ylsulfa...",NA,"CC1(CC(=CC(=O)C1)C=CSC2=C(C(=NC(=C2Cl)Cl)Cl)Cl)C","WZTBFQXAKDOOBP-ONEGZZNKSA-N",24203486,NA,"PDBC25413","728221","Present",NA,NA
+"25414","5,3-Dimethoxy-5,11-dio xo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-imidazolyl-1-propyl)-2,3-dimethoxy-5,11...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN5C=CN=C5)OC.Cl","RMDBTBAHJKQBBX-UHFFFAOYSA-N",45027897,NA,"PDBC25414","735493","Present",NA,NA
+"25415","5,3-Dimethoxy-6-(3-dimethylamino-1-propyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-2,3-dimethoxy-6-(3-dimethylamino-1-propyl)-5...",NA,"CN(C)CCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC=CC=C42","MDJMZUNJPZVUIG-UHFFFAOYSA-N",44409870,NA,"PDBC25415","735152","Present",NA,NA
+"25416","5,3-Dimethoxy-6-(3-morpholinyl-1-ethyl)-5,11-dio xo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-2,3-dimethoxy-6-(3-morpholinyl-1-ethyl)-5,11...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCN5CCOCC5)OC","OTBCPCCVOWNFAW-UHFFFAOYSA-N",44410042,NA,"PDBC25416","736004","Present",NA,NA
+"25417","5,3-Dioxolo[4,5-h][2]benzoxepin-11-methanol, 5,7,8,9-tetrahydro-5-(3,4,5-trimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-11-methanol,...",NA,"COC1=CC(=CC(=C1OC)OC)C23C(C(CC4=CC5=C(C=C42)OCO5)CO3)CO","QJUAJRMLIMHQCQ-UHFFFAOYSA-N",396064,NA,"PDBC25417","701564","Present",NA,NA
+"25418","5,3-Methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-dimethylamino-1-propyl)-2,3-methylenedi...",NA,"CN(C)CCCN1C2=C(C3=CC4=C(C=C3C1=O)OCO4)C(=O)C5=CC=CC=C52","VCEDYYXAJUDJQQ-UHFFFAOYSA-N",44409873,NA,"PDBC25418","732936","Present",NA,NA
+"25419","5,4' Trihydroxy 4'' senecioyl 7-o-neohesperisido flavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,3',4' trihydroxy 4'' senecioyl 7-o-neohesperisido flavone",NA,"CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC(=C(C=C5)O)O)O)CO)OC(=O)C=C(C)C)O)O)O)O","ZUUQUVGHVBYYGU-UHFFFAOYSA-N",24205318,NA,"PDBC25419","735008","Present",NA,NA
+"25420","5,4-Difluorphenyl)-3a,7a-dicyano-4,7-dihydrox y-indol-3-carbonacidethylester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichlor-1-(2,4-difluorphenyl)-3a,7a-dicyano-4,7-dihy...",NA,"CCOC(=O)C1=C(N(C2(C1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)C3=C(C=C(C=C3)F)F)C","RRVFNMVBXPKDAL-VQTJNVASSA-N",24205848,NA,"PDBC25420","736922","Present",NA,NA
+"25421","5,4]Hept-4-ene-1,1-dicarbonitrile, 4-methyl-7-oxo-2,6-diphenyl, trans-(+/-)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Diazaspiro[2,4]hept-4-ene-1,1-dicarbonitrile, 4-meth...",NA,"CC1=NN(C(=O)C12C(C2(C#N)C#N)C3=CC=CC=C3)C4=CC=CC=C4","FHDQRKRZCSVIJW-DIAVIDTQSA-N",366094,NA,"PDBC25421","634353","Present",NA,NA
+"25422","5,5',6',7-Tetramethyl-2,2'-spirobi[indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5',6',7-Tetramethyl-2,2'-spirobi[3H-indene]-1,1'-dione",NA,"CC1=CC(=C2C(=C1)CC3(C2=O)CC4=C(C3=O)C=C(C(=C4)C)C)C","QSODPZCJEHZALK-UHFFFAOYSA-N",393827,NA,"PDBC25422","696648","Present",NA,NA
+"25423","5,5'-(2,6-Dichlorobenzylidene)bis(6-oxo-4-hydroxy-2-morpholino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(2,6-dichlorophenyl)-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(C=CC=C2Cl)Cl)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","LBDZWXLNLOAFEA-UHFFFAOYSA-N",54688724,NA,"PDBC25423","701639","Present",NA,NA
+"25424","5,5'-(2-Methylpropylidene)bis(6-oxo-4-hydroxy-2-pyrrolizino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[1-(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-2-methylpropyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(C(=C(NC2=O)N3CCCC3)C(=O)OCC)O)C(C)C)N4CCCC4","ADWLYBAMUNKNKO-UHFFFAOYSA-N",54688720,NA,"PDBC25424","701633","Present",NA,NA
+"25425","5,5'-(3-Nitro-4-chlorobenzylidene)bis(6-oxo-4-hydroxy-2-morpholino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(4-chloro-3-nitrophenyl)-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","AUDYBDDPCIEKOO-UHFFFAOYSA-N",54680275,NA,"PDBC25425","701638","Present",NA,NA
+"25426","5,5'-(3-Nitro-4-chlorobenzylidene)bis(6-oxo-4-hydroxy-2-pyrrolizino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(4-chloro-3-nitrophenyl)-(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5","MUYXATRAUIMILY-UHFFFAOYSA-N",54688723,NA,"PDBC25426","701636","Present",NA,NA
+"25427","5,5'-(4-Methoxybenzylidene)bis(6-oxo-4-hydroxy-2-morpholino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=C(C=C2)OC)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","JZXKDWJWBTVFGX-UHFFFAOYSA-N",54682821,NA,"PDBC25427","701637","Present",NA,NA
+"25428","5,5'-(4-Methoxybenzylidene)bis(6-oxo-4-hydroxy-2-pyrrolizino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(4-methoxyphenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=C(C=C2)OC)C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5","JMPHISJOEQNMGI-UHFFFAOYSA-N",54688722,NA,"PDBC25428","701635","Present",NA,NA
+"25429","5,5'-(Selenophene-2,5-diyl)bis(furan-2-carbaldehyde)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5'-(selenophene-2,5-diyl)bis(furan-2-carbaldehyde)",NA,"C1=C(OC(=C1)C2=CC=C([Se]2)C3=CC=C(O3)C=O)C=O","NGDSMNXQZDJGOO-UHFFFAOYSA-N",85761448,NA,"PDBC25429","773393","Present",NA,NA
+"25430","5,5'-Diacetyl-2,2'-bithiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"W-200183",NA,"CC(=O)C1=CC=C(S1)C2=CC=C(S2)C(=O)C","DZBDNNDXPKNUGF-UHFFFAOYSA-N",305890,NA,"PDBC25430","203017","Present",NA,NA
+"25431","5,5'-Diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexayl hexaacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Racemic Apogossypol Hexaacetate///(-)-Apogossypol Hexaacetate///(+)-Apogossypol Hexaacetate",NA,"CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(C)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(C)C","MBTWPLWRPAVISC-UHFFFAOYSA-N",293131,NA,"PDBC25431","732804///732805///734247","Present",NA,NA
+"25432","5,5'-[4-(Dimethylamino)benzylidene]bis(6-oxo-4-hydroxy-2-pyrrolizino-1,6-dihydropyridine-3-carboxylic acid ethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[[4-(dimethylamino)phenyl]-(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=C(C=C2)N(C)C)C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5","PSGLULHFKKMEAR-UHFFFAOYSA-N",54688721,NA,"PDBC25432","701634","Present",NA,NA
+"25433","5,5'-difluoro-3,3'-dithiobisindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5'-difluoro-3,3'-dithiobisindole",NA,"C1=CC2=C(C=C1F)C(=CN2)SSC3=CNC4=C3C=C(C=C4)F","BOINTPIZZVBYIN-UHFFFAOYSA-N",45028549,NA,"PDBC25433","743186","Present",NA,NA
+"25434","5,5'-diiodo-3,3'-dithiobisindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5'-diiodo-3,3'-dithiobisindole",NA,"C1=CC2=C(C=C1I)C(=CN2)SSC3=CNC4=C3C=C(C=C4)I","ZDPMHNKLXSGUMX-UHFFFAOYSA-N",45028550,NA,"PDBC25434","743187","Present",NA,NA
+"25435","5,5,10',10'-Tetramethylspiro[1,3-dioxane-2,6'-3lambda6-thia-4-azatricyclo[5.2.1.01,5]dec-4-ene] 3',3'-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,10',10'-Tetramethylspiro[1,3-dioxane-2,6'-3lambda6-thia-4-azatricyclo[5.2.1.01,5]dec-4-ene] 3',3'-dioxide",NA,"CC1(COC2(C3CCC4(C2=NS(=O)(=O)C4)C3(C)C)OC1)C","FBPXNLZNHSTVTN-UHFFFAOYSA-N",373093,NA,"PDBC25435","649013","Present",NA,NA
+"25436","5,5,11,11-Tetramethyl-15-(4-nitrophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,11,11-Tetramethyl-15-(4-nitrophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),8,13(16)-tetraen-3-one",NA,"CC1(CC2=C3C(=NC4=C(C3=C(N2)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)CC(C4)(C)C)C1)C","AQUJFSUMKDHESO-UHFFFAOYSA-N",5471831,NA,"PDBC25436","714392","Present",NA,NA
+"25437","5,5,5-Trifluoro-1-(2-furyl)-4-(trifluoromethyl)-1,2,4-pentanetriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,5-Trifluoro-1-(2-furyl)-4-(trifluoromethyl)-1,2,4-pentanetriol",NA,"C1=COC(=C1)C(C(CC(C(F)(F)F)(C(F)(F)F)O)O)O","BNRJVCNLYBKRKO-UHFFFAOYSA-N",377676,NA,"PDBC25437","659255","Present",NA,NA
+"25438","5,5,5-Trifluoro-4-hydroxy-1-((2-hydroxyethyl)(methyl)amino)-4-(trifluoromethyl)-2-pentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,5-Trifluoro-4-hydroxy-1-((2-hydroxyethyl)(methyl)amino)-4-(trifluoromethyl)-2-pentanone",NA,"CN(CCO)CC(=O)CC(C(F)(F)F)(C(F)(F)F)O","XODGUNOCFHYRLL-UHFFFAOYSA-N",379619,NA,"PDBC25438","664326","Present",NA,NA
+"25439","5,5,5-Trifluoro-4-hydroxy-1-(1-piperidinyl)-4-(trifluoromethyl)-2-pentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,5-Trifluoro-4-hydroxy-1-(1-piperidinyl)-4-(trifluoromethyl)-2-pentanone",NA,"C1CCN(CC1)CC(=O)CC(C(F)(F)F)(C(F)(F)F)O","LQVHDUSBAFJEQI-UHFFFAOYSA-N",379617,NA,"PDBC25439","664324","Present",NA,NA
+"25440","5,5,5-Trifluoro-4-hydroxy-1-(3-methylisoquinolin-2-ium-2-yl)-4-(trifluoromethyl)pentan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,1-Trifluoro-5-(3-methylisoquinolinium-2-yl)-4-oxo-2-(trifluoromethyl)pentan-2-olate",NA,"CC1=CC2=CC=CC=C2C=[N+]1CC(=O)CC(C(F)(F)F)(C(F)(F)F)[O-]","NKKYVGNXRJSUIS-UHFFFAOYSA-N",379629,NA,"PDBC25440","664338","Present",NA,NA
+"25441","5,5,5-Trifluoro-4-hydroxy-1-(4-morpholinyl)-4-(trifluoromethyl)-2-pentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,5-Trifluoro-4-hydroxy-1-(4-morpholinyl)-4-(trifluoromethyl)-2-pentanone",NA,"C1COCCN1CC(=O)CC(C(F)(F)F)(C(F)(F)F)O","XYLFEELDYNPHPN-UHFFFAOYSA-N",379618,NA,"PDBC25441","664325","Present",NA,NA
+"25442","5,5,5-Trifluoro-4-hydroxy-3-(1-piperidinyl)-4-(trifluoromethyl)-2-pentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,5-Trifluoro-4-hydroxy-3-(1-piperidinyl)-4-(trifluoromethyl)-2-pentanone",NA,"CC(=O)C(C(C(F)(F)F)(C(F)(F)F)O)N1CCCCC1","DHLHAGWYSZZVEA-UHFFFAOYSA-N",379620,NA,"PDBC25442","664327","Present",NA,NA
+"25443","5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentanone hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentanone hydrazone",NA,"CC(=NN)CC(C(F)(F)F)(C(F)(F)F)O","PWRWYPXCIANXFH-LZWSPWQCSA-N",9555943,NA,"PDBC25443","659220","Present",NA,NA
+"25444","5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentanone oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,5-Trifluoro-4-hydroxy-4-(trifluoromethyl)-2-pentanone oxime",NA,"CC(=NO)CC(C(F)(F)F)(C(F)(F)F)O","JHARULSMJVOMKF-QLKAYGNNSA-N",5746758,NA,"PDBC25444","659228","Present",NA,NA
+"25445","5,5,6,6-Tetramethyl-4-(3-methylbut-3-enyl)-2-oxido-4H-oxazin-2-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,6,6-Tetramethyl-4-(3-methylbut-3-enyl)-2-oxido-4H-oxazin-2-ium",NA,"CC(=C)CCC1C=[N+](OC(C1(C)C)(C)C)[O-]","JNUDGLGROMDYQN-UHFFFAOYSA-N",395297,NA,"PDBC25445","699778","Present",NA,NA
+"25446","5,5,6-Trimethylbicyclo[2.2.1]heptan-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,6-Trimethylbicyclo[2.2.1]heptan-2-amine",NA,"CC1C2CC(C1(C)C)CC2N","CICOIBJGJSLCEM-UHFFFAOYSA-N",376011,NA,"PDBC25446","656391","Present",NA,NA
+"25447","5,5,6-Trimethylbicyclo[2.2.1]heptan-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,6-trimethylnorbornan-2-ol",NA,"CC1C2CC(C1(C)C)CC2O","ZNJAOWQZASKQNE-UHFFFAOYSA-N",376008,NA,"PDBC25447","656388","Present",NA,NA
+"25448","5,5,6-Trimethylbicyclo[2.2.1]heptan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"exo-Isocamphanone",NA,"CC1C2CC(C1(C)C)CC2=O","TZAXGXBLCOILBQ-UHFFFAOYSA-N",376006,NA,"PDBC25448","656386","Present",NA,NA
+"25449","5,5-Bis(benzenesulfonyl)-1-phenylpent-4-en-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Phenyl-5,5-bis(phenylsulfonyl)pent-4-en-1-one",NA,"C1=CC=C(C=C1)C(=O)CCC=C(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","DWEAYRVPZNVQJG-UHFFFAOYSA-N",400845,NA,"PDBC25449","713370","Present",NA,NA
+"25450","5,5-Bis(phenylthio)pentanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Bis(phenylthio)pentanal",NA,"C1=CC=C(C=C1)SC(CCCC=O)SC2=CC=CC=C2","ZBNHHIIHEKGMMU-UHFFFAOYSA-N",361778,NA,"PDBC25450","625045","Present",NA,NA
+"25451","5,5-Bis(trifluoromethyl)dihydro-2(3H)-furanone dimethylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[5,5-Bis(trifluoromethyl)tetrahydrofuran-2-ylidene]amino]-N-methyl-methanamine",NA,"CN(C)N=C1CCC(O1)(C(F)(F)F)C(F)(F)F","GQDDGQBXRSWZMH-WCSRMQSCSA-N",9571447,NA,"PDBC25451","664538","Present",NA,NA
+"25452","5,5-Diazido-3-phenyl-1H-pyridazine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-4,4-di(2.lambda.~5~-1,2-triazadienyl)-3,5(2H,4H)-pyridazinedione",NA,"C1=CC=C(C=C1)C2=NNC(=O)C(C2=O)(N=[N+]=[N-])N=[N+]=[N-]","GURMLGGKIDBNBJ-UHFFFAOYSA-N",375222,NA,"PDBC25452","654616","Present",NA,NA
+"25453","5,5-Dichloro-4-(chloro(difluoro)methyl)-5-fluoro-4-hydroxy-2-pentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dichloro-4-(chloro(difluoro)methyl)-5-fluoro-4-hydroxy-2-pentanone",NA,"CC(=O)CC(C(F)(F)Cl)(C(F)(Cl)Cl)O","NUTBTTHUABIGIH-UHFFFAOYSA-N",377606,NA,"PDBC25453","659183","Present",NA,NA
+"25454","5,5-Diethyl 4,4-dimethyl 2-methyl-1,3-oxazole-4,4,5,5-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Diethyl 4,4-dimethyl 2-methyl-1,3-oxazole-4,4,5,5-tetracarboxylate",NA,"CCOC(=O)C1(C(N=C(O1)C)(C(=O)OC)C(=O)OC)C(=O)OCC","JJRYEOLFDTXBRR-UHFFFAOYSA-N",395876,NA,"PDBC25454","700971","Present",NA,NA
+"25455","5,5-Diethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Diethyl-2-(2-naphthyl)-2-vinyl-1,3-dioxane",NA,"CCC1(COC(OC1)(C=C)C2=CC3=CC=CC=C3C=C2)CC","IBYWAGIVTKMAET-UHFFFAOYSA-N",383350,NA,"PDBC25455","671464","Present",NA,NA
+"25456","5,5-Diethyl-6-imino-2-thioxotetrahydro-4(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Y05WI0HFR4",NA,"CCC1(C(=NC(=S)NC1=O)N)CC","VTXPKDKVHGDSPY-UHFFFAOYSA-N",3003763,NA,"PDBC25456","44819","Present",NA,NA
+"25457","5,5-Diethyldihydro-6-thioxouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-135231",NA,"CCC1(C(=O)NC(=O)NC1=S)CC","KUMCLYGZVRXJMG-UHFFFAOYSA-N",3034182,NA,"PDBC25457","44137","Present",NA,NA
+"25458","5,5-Dimethyl-12-(3,4,5-trimethoxyphenyl)-3,12-dihydro-1H-(1,3)dioxolo(4,5-i)furo(3,4-d)(1,3)benzodioxocin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-[1,3]Dioxolo[4,5-i]furo[3,4-d][1,3]benzodioxocin-1-on...",NA,"CC1(OC2=C(C(C3=CC4=C(C=C3O1)OCO4)C5=CC(=C(C(=C5)OC)OC)OC)C(=O)OC2)C","UOVKZFDKJDTNPN-UHFFFAOYSA-N",380087,NA,"PDBC25458","665485","Present",NA,NA
+"25459","5,5-Dimethyl-2-(((5-methyl-4-phenyl-1,3-thiazol-2-yl)amino)methylene)-1,3-cyclohexanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-2-(((5-methyl-4-phenyl-1,3-thiazol-2-yl)amino)methylene)-1,3-cyclohexanedione",NA,"CC1=C(N=C(S1)N=CC2=C(CC(CC2=O)(C)C)O)C3=CC=CC=C3","YNLAFYIBDCQZIC-RGVLZGJSSA-N",135409076,NA,"PDBC25459","657590","Present",NA,NA
+"25460","5,5-Dimethyl-2-((5-oxo-2-thioxo-1-imidazolidinyl)methylene)-1,3-cyclohexanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-2-((5-oxo-2-thioxo-1-imidazolidinyl)methylene)-1,3-cyclohexanedione",NA,"CC1(CC(=O)C(=CN2C(=O)CNC2=S)C(=O)C1)C","LTIRCGUYBIWMNI-UHFFFAOYSA-N",3004468,NA,"PDBC25460","657447","Present",NA,NA
+"25461","5,5-Dimethyl-2-(3-(4-methylphenyl)-3-oxopropyl)-1,3-cyclohexanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-2-(3-(4-methylphenyl)-3-oxopropyl)-1,3-cyclohexanedione",NA,"CC1=CC=C(C=C1)C(=O)CCC2C(=O)CC(CC2=O)(C)C","AUKOOOYPMOEFSP-UHFFFAOYSA-N",373458,NA,"PDBC25461","649815","Present",NA,NA
+"25462","5,5-Dimethyl-2-(3-oxo-5-phenyl-4-pentenyl)-1,3-cyclohexanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-2-(3-oxo-5-phenyl-4-pentenyl)-1,3-cyclohexanedione",NA,"CC1(CC(=O)C(C(=O)C1)CCC(=O)C=CC2=CC=CC=C2)C","IPJMVZXOKIXITO-CMDGGOBGSA-N",6291329,NA,"PDBC25462","649814","Present",NA,NA
+"25463","5,5-Dimethyl-2-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]cyclohexane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-2-[(5-methyl-2-thioxo-3H-benzimidazol-1-yl)methylene]cyclohexane-1,3-dione",NA,"CC1=CC2=C(C=C1)N(C(=S)N2)C=C3C(=O)CC(CC3=O)(C)C","MEGNRRXSHVICMC-UHFFFAOYSA-N",3004481,NA,"PDBC25463","657567","Present",NA,NA
+"25464","5,5-Dimethyl-2-[(E)-2-phenylethenyl]-4-propan-2-yl-1,3-dioxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxane, 5,5-dimethyl-4-(1-methylethyl)-2- (2-phenyl...",NA,"CC(C)C1C(COC(O1)C=CC2=CC=CC=C2)(C)C","XFPWGDOQIRBMFK-ZHACJKMWSA-N",5351757,NA,"PDBC25464","38684","Present",NA,NA
+"25465","5,5-Dimethyl-2-oxo-4-(pyridin-1-ium-1-ylmethyl)furan-3-carbonitrile;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(4-Cyano-2,2-dimethyl-5-oxo-2,5-dihydrofuran-3-yl)methyl]pyridinium iodide",NA,"CC1(C(=C(C(=O)O1)C#N)C[N+]2=CC=CC=C2)C.[I-]","UQQIMMDEQVOTCI-UHFFFAOYSA-M",372750,NA,"PDBC25465","648368","Present",NA,NA
+"25466","5,5-Dimethyl-2-pentadecyl-3-propan-2-yl-4H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dimethyl-2-pentadecyl-1-(propan-2-yl)-4,5-dihydro-1h-imidazole",NA,"CCCCCCCCCCCCCCCC1=NC(CN1C(C)C)(C)C","WCOJLACCZHOZKF-UHFFFAOYSA-N",226857,NA,"PDBC25466","17744","Present",NA,NA
+"25467","5,5-Dimethyl-3-(2-((3-methyl-2-butenyl)sulfinyl)anilino)-2-cyclohexen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-3-(2-((3-methyl-2-butenyl)sulfinyl)anilino)-2-cyclohexen-1-one",NA,"CC(=CCS(=O)C1=CC=CC=C1NC2=CC(=O)CC(C2)(C)C)C","MJXQYWZMGCBKDH-UHFFFAOYSA-N",378130,NA,"PDBC25467","659934","Present",NA,NA
+"25468","5,5-Dimethyl-3-propan-2-yl-2-tridecyl-4H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Dimethyl-1-(propan-2-yl)-2-tridecyl-4,5-dihydro-1h-imidazole",NA,"CCCCCCCCCCCCCC1=NC(CN1C(C)C)(C)C","DIAXWTCJGZHOJH-UHFFFAOYSA-N",226856,NA,"PDBC25468","17743","Present",NA,NA
+"25469","5,5-Dimethyl-4,5,7,8-tetrahydro-6H-thiochromeno[7,8-d][1,2,3]thiadiazol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Thiopyrano[3,2-g][1,2,3]benzothiadiazole-7-one, 6,7,8...",NA,"CC1(CC2=C(C3=C1C(=O)CCS3)SN=N2)C","ZBUFHXOEAZXJTM-UHFFFAOYSA-N",362374,NA,"PDBC25469","626118","Present",NA,NA
+"25470","5,5-Dimethyl-6,6a,12,12a-tetrahydrobenzo[c]acridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz[c]acridin-7(5H)-one, 6,6a,12,12a-tetrahydro-5,5-dim...",NA,"CC1(CC2C(C3=CC=CC=C31)NC4=CC=CC=C4C2=O)C","YELPSWNUSCYROL-UHFFFAOYSA-N",255766,NA,"PDBC25470","81517","Present",NA,NA
+"25471","5,5-Dimethyl-6-phenylcarbamoyl-4H-thiazolo[3,2-d][1,5]benzodiazepin-11-ium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-1,5-dimethyl-6-phenylcarbamoyl-4H-thiazolo[3...",NA,"CC1CC2=[N+](C(=CS2)C)C3=CC=CC=C3N1C(=O)NC4=CC=CC=C4.[Cl-]","DIJOSMLORLVCRH-UHFFFAOYSA-N",16080723,NA,"PDBC25471","731737","Present",NA,NA
+"25472","5,5-Dimethyl-8'-nitro-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-8'-nitro-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-one",NA,"CC1(C2(C=CC3=C(O2)C(=CC=C3)[N+](=O)[O-])N(C(=O)O1)C4=CC=CC=C4)C","PVLNLHQHWKFLFQ-UHFFFAOYSA-N",392262,NA,"PDBC25472","692403","Present",NA,NA
+"25473","5,5-Dinitro-1,3-dioxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dinitro-1,3-dioxane",NA,"C1C(COCO1)([N+](=O)[O-])[N+](=O)[O-]","RDADUROBQIJEIM-UHFFFAOYSA-N",385942,NA,"PDBC25473","677414","Present",NA,NA
+"25474","5,5-Diphenyl-3-((3-phenylpropanoyl)oxy)-2,4-imidazolidinedithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Diphenyl-3-((3-phenylpropanoyl)oxy)-2,4-imidazolidinedithione",NA,"C1=CC=C(C=C1)CCC(=O)ON2C(=S)C(NC2=S)(C3=CC=CC=C3)C4=CC=CC=C4","DQLVBDHNMNLEDQ-UHFFFAOYSA-N",3005239,NA,"PDBC25474","685456","Present",NA,NA
+"25475","5,5-Diphenylspiro[1,2,4-trithiolane-3,2'-adamantane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-Diphenylspiro[1,2,4-trithiolane-5,2'-adamantane]",NA,"C1C2CC3CC1CC(C2)C34SC(SS4)(C5=CC=CC=C5)C6=CC=CC=C6","PHZRPHQQYSNIMJ-UHFFFAOYSA-N",359146,NA,"PDBC25475","619825","Present",NA,NA
+"25476","5,6,10b,10c-Tetrahydrobenzo[3,4]cyclobuta[1,2-a]biphenylene-4b,6a-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,10b,10c-Tetrahydrobenzo[3,4]cyclobuta[1,2-a]biphenylene-4b,6a-diol",NA,"C1CC2(C(C3C1(C4=CC=CC=C34)O)C5=CC=CC=C52)O","IBFYXVGIKWIZIM-UHFFFAOYSA-N",375499,NA,"PDBC25476","655281","Present",NA,NA
+"25477","5,6,11,12-Tetramethyl-5,5a,6,11,11a,12-hexahydroquinoxalino[2,3-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,11,12-Tetramethyl-5,5a,6,11,11a,12-hexahydroquinoxalino[2,3-b]quinoxaline",NA,"CN1C2C(N(C3=CC=CC=C31)C)N(C4=CC=CC=C4N2C)C","BTCNUEMVJDOTFX-UHFFFAOYSA-N",365519,NA,"PDBC25477","633207","Present",NA,NA
+"25478","5,6,3'-Trihydroxy-7,4'-dimethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,3'-OH-7,4'-OCH3 flavone",NA,"COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)O)O)O","GCKIPZDMMOATHU-UHFFFAOYSA-N",373260,NA,"PDBC25478","649411","Present",NA,NA
+"25479","5,6,7,8,10,11,12,13,19,20,21,22,24,25,26,27-Hexadecahydrodi[1,3]dithiolo[4,5-b:4,5-o][1,4,9,14,17,22]hexathiacyclohexacosine-2,16-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7,12,14,16,18,23,28,30,32-Decathiatricyclo[27.3.0.013,17]dotriaconta-1(29),13(17)-diene-15,31-dithione",NA,"C1CCSC2=C(SCCCCSCCCCSC3=C(SCCCCSC1)SC(=S)S3)SC(=S)S2","CUUSNNVTUGKRGQ-UHFFFAOYSA-N",380599,NA,"PDBC25479","666274","Present",NA,NA
+"25480","5,6,7,8,3',4',5'-Heptamethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Methoxynobiletin",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC","UAELIRBOLQZEAT-UHFFFAOYSA-N",72815,NA,"PDBC25480","67580","Present",NA,NA
+"25481","5,6,7,8-Tetrachloro-3a,4a,8a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzodioxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,7,8-Tetrachloro-3a,4a,8a,9a-tetrahydro-1H-cyclopenta[b][1,4]benzodioxine",NA,"C1C=CC2C1OC3C(O2)C(=C(C(=C3Cl)Cl)Cl)Cl","BKOMTPWPHGYDEO-UHFFFAOYSA-N",400732,NA,"PDBC25481","713165","Present",NA,NA
+"25482","5,6,7,8-Tetrafluorobenzo[f][2,1,3]benzothiadiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,7,8-tetrafluoronaphtho[2,3-c][1,2,5]thiadiazole-4,9-...",NA,"C12=C(C(=C(C(=C1F)F)F)F)C(=O)C3=NSN=C3C2=O","KEWDSIQTRHIXFE-UHFFFAOYSA-N",155809942,NA,"PDBC25482","760476","Present",NA,NA
+"25483","5,6,7-Trihydroxy-3',4'-dimethoxyspiro[2H-chromene-3,7'-bicyclo[4.2.0]octa-1,3,5-triene]-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5, 6, 7-trihydroxy-3', 4'-dimethoxyspiro{2H-1-benzopyran...",NA,"COC1=C(C=C2C(=C1)CC23COC4=C(C3=O)C(=C(C(=C4)O)O)O)OC","ITNLRMLOWAXJEN-UHFFFAOYSA-N",404858,NA,"PDBC25483","721402","Present",NA,NA
+"25484","5,6,7-Trimethoxy-2-phenylquinolin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-W001456",NA,"COC1=C(C(=C2C(=C1)NC(=CC2=O)C3=CC=CC=C3)OC)OC","NDPXPFMHGJLPAS-UHFFFAOYSA-N",380406,NA,"PDBC25484","665928","Present",NA,NA
+"25485","5,6,7-Trimethoxy-3-(4-methoxyphenyl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758546",NA,"COC1=CC=C(C=C1)C2=CC3=C(C(=C(C=C3OC2=O)OC)OC)OC","IEJGFDLBWFDNST-UHFFFAOYSA-N",46949557,NA,"PDBC25485","758546","Present",NA,NA
+"25486","5,6,7-Trimethoxy-4-methyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-087/33381003",NA,"CC1=CC(=O)OC2=CC(=C(C(=C12)OC)OC)OC","CSQKYLCDFGRIIK-UHFFFAOYSA-N",390802,NA,"PDBC25486","688800","Present",NA,NA
+"25487","5,6,7-Trimethyl-4-thioxo-1,3-benzoxazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,7-Trimethyl-4-thioxo-1,3-benzoxazin-2-one",NA,"CC1=CC2=C(C(=C1C)C)C(=S)NC(=O)O2","SBRKWOZHWZAQRS-UHFFFAOYSA-N",3004444,NA,"PDBC25487","655169","Present",NA,NA
+"25488","5,6,7Abeta,7bbeta-Tetrahydro-5beta-hydroxy-2H-1,7-dioxacyclopenta[cd]indene-4(4abetaH)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,7S,8R,11S)-8-Hydroxy-2,10-dioxatricyclo[5.3.1.04,11]undec-4-en-6-one",NA,"C1C(C2C3C(O1)OCC3=CC2=O)O","HJOQALIQBARKHY-KDXUFGMBSA-N",400139,NA,"PDBC25488","711633","Present",NA,NA
+"25489","5,6,8,9,10,14b-Hexahydroisoquino[1,2-a][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6,8,9,10,14b-Hexahydroisoquino[1,2-a][2]benzazepine",NA,"C1CC2=CC=CC=C2C3C4=CC=CC=C4CCN3C1","OOHYIVGZZGASFD-UHFFFAOYSA-N",384195,NA,"PDBC25489","673601","Present",NA,NA
+"25490","5,6,8,9,14,14b-Hexahydrobenz[a]indolo[3,2-h]quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,13-Diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-2(10),4,6,8,16,18,20-heptaene",NA,"C1CN2CCC3=C(C2C4=CC=CC=C41)NC5=CC=CC=C35","QMFZCDNIHZUHSQ-UHFFFAOYSA-N",386224,NA,"PDBC25490","677940","Present",NA,NA
+"25491","5,6,9,10-Tetrahydrodinaphtho[1,2-b:2,1-g][1,8]naphthyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,26-Diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4,6,8,13,15,19,21,23,25-undecaene",NA,"C1CC2=CC3=CC4=C(C5=CC=CC=C5CC4)N=C3N=C2C6=CC=CC=C61","GKXQGQRNXLFDOA-UHFFFAOYSA-N",373794,NA,"PDBC25491","650756","Present",NA,NA
+"25492","5,6-Bis(1,2,5-thiadiazol-3-ylsulfanyl)pyrazine-2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Bis(1,2,5-thiadiazol-3-ylsulfanyl)pyrazine-2,3-dicarbonitrile",NA,"C1=NSN=C1SC2=NC(=C(N=C2SC3=NSN=C3)C#N)C#N","RFAGHUAXDUQPNX-UHFFFAOYSA-N",398491,NA,"PDBC25492","708394","Present",NA,NA
+"25493","5,6-Bis(2-pyridinyl)pyrazine-2,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Bis(2-pyridinyl)pyrazine-2,3-dicarboxylic acid",NA,"C1=CC=NC(=C1)C2=C(N=C(C(=N2)C(=O)O)C(=O)O)C3=CC=CC=N3","IBEHNEMWMYLQBP-UHFFFAOYSA-N",397377,NA,"PDBC25493","705079","Present",NA,NA
+"25494","5,6-Bis(benzyloxy)-1h-indole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Bis(benzyloxy)-1h-indole-2-carboxylic acid",NA,"C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C=C(N3)C(=O)O)OCC4=CC=CC=C4","TYUJHLDUESKKPZ-UHFFFAOYSA-N",260802,NA,"PDBC25494","92531","Present",NA,NA
+"25495","5,6-Bis(furan-2-yl)-1,2,4-triazin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Di(2-furyl)-1,2,4-triazin-3-amine",NA,"C1=COC(=C1)C2=C(N=NC(=N2)N)C3=CC=CO3","FXQZYFBJCFGSAY-UHFFFAOYSA-N",393540,NA,"PDBC25495","695602","Present",NA,NA
+"25496","5,6-Bis-(1,2-dihydroxy-ethyl)-[1,4]dioxane-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Bis-(1,2-dihydroxy-ethyl)-[1,4]dioxane-2,3-dione",NA,"C(C(C1C(OC(=O)C(=O)O1)C(CO)O)O)O","NPXVGARLFHBJTQ-UHFFFAOYSA-N",378663,NA,"PDBC25496","661460","Present",NA,NA
+"25497","5,6-Bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyrazine-2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazine-2,3-dicarbonitrile, 5,6-bis(5-methyl-1,3,4-thia...",NA,"CC1=NN=C(S1)SC2=NC(=C(N=C2SC3=NN=C(S3)C)C#N)C#N","YJJKFQITKJFDEH-UHFFFAOYSA-N",395616,NA,"PDBC25497","700361","Present",NA,NA
+"25498","5,6-Bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazine-2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Bis[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]pyrazine-2,3-dicarbonitrile",NA,"CC1=NN=C(S1)SCC2=C(N=C(C(=N2)C#N)C#N)CSC3=NN=C(S3)C","KFQJGKGGAHEPIT-UHFFFAOYSA-N",398490,NA,"PDBC25498","708393","Present",NA,NA
+"25499","5,6-Chrysenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Chrysenedione",NA,"C1=CC=C2C(=C1)C=CC3=C2C(=O)C(=O)C4=CC=CC=C34","HZGMNNQOPOLCIG-UHFFFAOYSA-N",16317,NA,"PDBC25499","5192","Present",NA,NA
+"25500","5,6-Diamino-N-(4-chlorophenyl)-3-imino-4-oxo-2,3,4,5-tetrahydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Diamino-N-(4-chlorophenyl)-3-imino-4-oxo-1,2-dihydropyrazolo[4,3-c]pyridine-7-carboxamide",NA,"C1=CC(=CC=C1NC(=O)C2=C(N(C(=O)C3=C2NN=C3N)N)N)Cl","VQDVBGXLXUVVDL-UHFFFAOYSA-N",392150,NA,"PDBC25500","692030","Present",NA,NA
+"25501","5,6-Dibromo-2-phenylisoindoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dibromo-2-phenylisoindoline",NA,"C1C2=CC(=C(C=C2CN1C3=CC=CC=C3)Br)Br","AWIBKCNJGCWJJG-UHFFFAOYSA-N",362477,NA,"PDBC25501","626428","Present",NA,NA
+"25502","5,6-Dibromo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dibromo-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylic acid",NA,"C1(C(C2C(C(C1O2)Br)Br)C(=O)O)C(=O)O","YAUAFDGEUWEBOP-UHFFFAOYSA-N",221496,NA,"PDBC25502","6138","Present",NA,NA
+"25503","5,6-Dichloro-1,2,3-benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-1,2,3-benzodithiazol-1-ium;chloride",NA,"C1=C(C(=CC2=[S+]SN=C21)Cl)Cl.[Cl-]","ISWVBLLPUQOVDY-UHFFFAOYSA-M",359774,NA,"PDBC25503","621343","Present",NA,NA
+"25504","5,6-Dichloro-1-(3-(4-morpholinyl)propyl)-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-1-(3-(4-morpholinyl)propyl)-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazine",NA,"C1COCCN1CCCN2C3=C(N=C(C(=N3)Cl)Cl)N=C2C(F)(F)F","SEVICFAAJPXUER-UHFFFAOYSA-N",296473,NA,"PDBC25504","166637","Present",NA,NA
+"25505","5,6-Dichloro-1-tetrahydrofuran-2-yl-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-1-tetrahydrofuran-2-yl-benzimidazole",NA,"C1CC(OC1)N2C=NC3=CC(=C(C=C32)Cl)Cl","RCXVWZMFRLJXRD-UHFFFAOYSA-N",388069,NA,"PDBC25505","682533","Present",NA,NA
+"25506","5,6-Dichloro-1-tetrahydrofuran-2-yl-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-1-tetrahydrofuran-2-yl-benzotriazole",NA,"C1CC(OC1)N2C3=CC(=C(C=C3N=N2)Cl)Cl","BHBGEYKZKBMMDT-UHFFFAOYSA-N",388084,NA,"PDBC25506","682547","Present",NA,NA
+"25507","5,6-Dichloro-1-tetrahydropyran-2-yl-1H-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-1-tetrahydropyran-2-yl-1H-benzotriazole",NA,"C1CCOC(C1)N2C3=CC(=C(C=C3N=N2)Cl)Cl","ABRJVDODXWORCQ-UHFFFAOYSA-N",388092,NA,"PDBC25507","682555","Present",NA,NA
+"25508","5,6-Dichloro-1-tetrahydropyran-2-yl-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-1-tetrahydropyran-2-yl-benzimidazole",NA,"C1CCOC(C1)N2C=NC3=CC(=C(C=C32)Cl)Cl","NBNXGPHMUZHVMW-UHFFFAOYSA-N",388072,NA,"PDBC25508","682535","Present",NA,NA
+"25509","5,6-Dichloro-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_006289",NA,"C1=C2C(=CC(=C1Cl)Cl)N=CN2","IPRDZAMUYMOJTA-UHFFFAOYSA-N",331775,NA,"PDBC25509","326397","Present",NA,NA
+"25510","5,6-Dichloro-2,1,3-benzoselenadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-2,1,3-benzoselenadiazole",NA,"C1=C(C(=CC2=N[Se]N=C21)Cl)Cl","AMJDYKAIBVZVIR-UHFFFAOYSA-N",362893,NA,"PDBC25510","627367","Present",NA,NA
+"25511","5,6-Dichloro-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-2-[4-(4-pyridyl)pyridin-1-ium-1-yl]pyrimidin-4-amine chloride",NA,"C1=CN=CC=C1C2=CC=[N+](C=C2)C3=NC(=C(C(=N3)Cl)Cl)N.[Cl-]","ZDXNVRPTQBDLSX-UHFFFAOYSA-M",399031,NA,"PDBC25511","709447","Present",NA,NA
+"25512","5,6-Dichloro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-yl]-1H-benzoimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-dichloro-2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C3=NC4=CC(=C(C=C4N3)Cl)Cl","YLQVPICGJHUERK-UHFFFAOYSA-N",136929746,NA,"PDBC25512","768405","Present",NA,NA
+"25513","5,6-Dichloro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-dichloro-2-(3-(4-methoxyphenyl)imidazo[1,5-a]pyridin...",NA,"COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=CC(=C(C=C5N4)Cl)Cl","MMLCOPMVLJTWAR-UHFFFAOYSA-N",155810048,NA,"PDBC25513","766337","Present",NA,NA
+"25514","5,6-Dichloro-2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazo[4,5-b]pyrazine, 5,6-dichloro-2-[3-(trifluorom...",NA,"C1=CC(=CC(=C1)C(F)(F)F)C2=NC3=C(N2)N=C(C(=N3)Cl)Cl","BRODSJBKQDYMJU-UHFFFAOYSA-N",5383615,NA,"PDBC25514","177407","Present",NA,NA
+"25515","5,6-Dichloro-2-[3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-dichloro-2-(3-(4-(trifluoromethyl)phenyl)imidazo[1,5...",NA,"C1=CC2=C(N=C(N2C=C1)C3=CC=C(C=C3)C(F)(F)F)C4=NC5=CC(=C(C=C5N4)Cl)Cl","PGBYDBUPTXVDCN-UHFFFAOYSA-N",155809730,NA,"PDBC25515","774957","Present",NA,NA
+"25516","5,6-Dichloro-2-hexyl-1H-imidazo[4,5-b]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-2-hexyl-1H-imidazo[4,5-b]pyrazine",NA,"CCCCCCC1=NC2=C(N1)N=C(C(=N2)Cl)Cl","DGRVRFOVCINONF-UHFFFAOYSA-N",5383666,NA,"PDBC25516","179496","Present",NA,NA
+"25517","5,6-Dichloro-2-tetrahydropyran-2-yl-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-2-tetrahydropyran-2-yl-benzotriazole",NA,"C1CCOC(C1)N2N=C3C=C(C(=CC3=N2)Cl)Cl","DWHDCRWNFDQGGZ-UHFFFAOYSA-N",388095,NA,"PDBC25517","682558","Present",NA,NA
+"25518","5,6-Dichloro-8-((5,6-dichloro-4H-1,3-benzodioxin-8-yl)methyl)-4H-1,3-benzodioxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-8-((5,6-dichloro-4H-1,3-benzodioxin-8-yl)methyl)-4H-1,3-benzodioxine",NA,"C1C2=C(C(=CC(=C2Cl)Cl)CC3=CC(=C(C4=C3OCOC4)Cl)Cl)OCO1","GWEDPUGSHMEBHG-UHFFFAOYSA-N",367312,NA,"PDBC25518","636880","Present",NA,NA
+"25519","5,6-Dichloro-N-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-N-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)pyrimidin-4-amine;chloride",NA,"C1=CC=C(C=C1)NC2=C(C(=NC(=N2)[N+]3=CC=C(C=C3)C4=CC=NC=C4)Cl)Cl.[Cl-]","HDHCXTYJAGZKDU-UHFFFAOYSA-M",399039,NA,"PDBC25519","709451","Present",NA,NA
+"25520","5,6-Dihydrazino[1,2,5]oxadiazolo[3,4-b]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C4H6N8O",NA,"C12=NON=C1N=C(C(=N2)NN)NN","MBFGKQUIQMEAOX-UHFFFAOYSA-N",392978,NA,"PDBC25520","694220","Present",NA,NA
+"25521","5,6-Dihydro-1,2,3,9-tetramethoxy-7H-dibenzo[a,c]cycloheptene-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,13,14,15-Tetramethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-8-one",NA,"COC1=CC2=C(C=C1)C3=C(C(=C(C=C3CCC2=O)OC)OC)OC","LCUPINWVEJYXRG-UHFFFAOYSA-N",395870,NA,"PDBC25521","700911","Present",NA,NA
+"25522","5,6-Dihydro-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole",NA,"CN(C)CCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4CC3","MQZGSCSEVBZFSM-UHFFFAOYSA-N",390895,NA,"PDBC25522","689070","Present",NA,NA
+"25523","5,6-Dihydro-2,3,9-trimethoxyindolo[2,1-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-2,3,9-trimethoxyindolo[2,1-a]isoquinoline",NA,"COC1=CC2=C(C=C1)C=C3N2CCC4=CC(=C(C=C43)OC)OC","SIIKNNYVOYUTIV-UHFFFAOYSA-N",366191,NA,"PDBC25523","634518","Present",NA,NA
+"25524","5,6-Dihydro-2,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-2,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole",NA,"CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(CC3)C=CC(=C4)OC","AIVYHRBBOCVCDB-UHFFFAOYSA-N",391534,NA,"PDBC25524","690783","Present",NA,NA
+"25525","5,6-Dihydro-3,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-3,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole",NA,"CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(CC3)C=C(C=C4)OC","DCUZWYULPUJECK-UHFFFAOYSA-N",390906,NA,"PDBC25525","689081","Present",NA,NA
+"25526","5,6-Dihydro-4,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-4,8-dimethoxy-11-[2-(dimethylamino)ethyl]-11H-benzo[a]carbazole",NA,"CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(CC3)C(=CC=C4)OC","HSTBMJJSQMRESP-UHFFFAOYSA-N",390909,NA,"PDBC25526","689084","Present",NA,NA
+"25527","5,6-Dihydro-4H,8H-[1,3]dioxolo[4,5-j]pyrido[3,2,1-de]phenanthridin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-4H,8H-[1,3]dioxolo[4,5-j]pyrido[3,2,1-de]phenanthridin-8-one",NA,"C1CC2=C3C(=CC=C2)C4=CC5=C(C=C4C(=O)N3C1)OCO5","YVINPFVOWIFURC-UHFFFAOYSA-N",362989,NA,"PDBC25527","627517","Present",NA,NA
+"25528","5,6-Dihydro-4H-indolo[3,2-c]pyrido[3,2,1-ij]quinolin-8(13H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-4H-indolo[3,2-c]pyrido[3,2,1-ij]quinolin-8(13H)-one",NA,"C1CC2=C3C(=CC=C2)C4=C(C5=CC=CC=C5N4)C(=O)N3C1","QFTPORFQUYPIJS-UHFFFAOYSA-N",376984,NA,"PDBC25528","658205","Present",NA,NA
+"25529","5,6-Dihydro-4H-pyrrolo[1,2-b][1,2,5]benzothiadiazocin-4-one 11,11-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Dioxo-2lambda6-thia-3,9-diazatricyclo[9.4.0.03,7]pentadeca-1(15),4,6,11,13-pentaen-8-one",NA,"C1C2=CC=CC=C2S(=O)(=O)N3C=CC=C3C(=O)N1","IJPXJKORXTYFJA-UHFFFAOYSA-N",393146,NA,"PDBC25529","694559","Present",NA,NA
+"25530","5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-ylmethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-ylmethyl acetate",NA,"CC(=O)OCC1=C2CCCN2N=N1","KTWYCDBFLVQSAE-UHFFFAOYSA-N",360960,NA,"PDBC25530","623688","Present",NA,NA
+"25531","5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-ylmethyl isopropylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-4H-pyrrolo[1,2-c][1,2,3]triazol-3-ylmethyl isopropylcarbamate",NA,"CC(C)NC(=O)OCC1=C2CCCN2N=N1","UIZSAUACPJVYFL-UHFFFAOYSA-N",360961,NA,"PDBC25531","623689","Present",NA,NA
+"25532","5,6-Dihydro-5-diazouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Diazonio-2-oxo-1,2,3,6-tetrahydropyrimidin-4-olate",NA,"C1C(=[N+]=[N-])C(=O)NC(=O)N1","LMVCXUQSILHPLZ-UHFFFAOYSA-N",381330,NA,"PDBC25532","667851","Present",NA,NA
+"25533","5,6-Dihydrobenzo[c]acridin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydrobenzo[c]acridin-7-amine",NA,"C1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C41)N","FRXXZKCFLLWYIW-UHFFFAOYSA-N",402660,NA,"PDBC25533","716847","Present",NA,NA
+"25534","5,6-Dihydrobicolorine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydrobicolorine",NA,"CN1CC2=CC3=C(C=C2C4=CC=CC=C41)OCO3","WAZIYEFJZKKXBR-UHFFFAOYSA-N",375118,NA,"PDBC25534","654242","Present",NA,NA
+"25535","5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JJWVROPXUHNEPC-UHFFFAOYSA-N",NA,"C1C(C2=CC3=C(C=C21)OCO3)C#N","JJWVROPXUHNEPC-UHFFFAOYSA-N",390052,NA,"PDBC25535","686966","Present",NA,NA
+"25536","5,6-Dihydrocyclobuta[f][1,3]benzodioxole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,11-Dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene-4-carboxamide",NA,"C1C(C2=CC3=C(C=C21)OCO3)C(=O)N","JFICWBJQMVMQJL-UHFFFAOYSA-N",394210,NA,"PDBC25536","697492","Present",NA,NA
+"25537","5,6-Dihydroxy-2,2,12,12-tetramethylcyclododecanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydroxy-2,2,12,12-tetramethylcyclododecanone",NA,"CC1(CCCCCC(C(CCC(C1=O)(C)C)O)O)C","TZVNHFIAGBZLCA-UHFFFAOYSA-N",385899,NA,"PDBC25537","677300","Present",NA,NA
+"25538","5,6-Dihydroxynaphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydroxynaphthalene-2-carboxylic acid",NA,"C1=CC2=C(C=CC(=C2O)O)C=C1C(=O)O","ICGAFQWZWKIUMN-UHFFFAOYSA-N",390997,NA,"PDBC25538","689403","Present",NA,NA
+"25539","5,6-Dimethoxy-1-((4-methylphenyl)sulfonyl)-2,3-dihydrocyclopenta[ij]isoquinolin-7(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethoxy-1-((4-methylphenyl)sulfonyl)-2,3-dihydrocyclopenta[ij]isoquinolin-7(1H)-one",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C4=C3C2=CC4=O)OC)OC","JSHLZAMWNIGXHA-UHFFFAOYSA-N",363870,NA,"PDBC25539","629160","Present",NA,NA
+"25540","5,6-Dimethoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-isoindol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethoxy-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-2,3-dihydro-1H-isoindol-1-one",NA,"COC1=C(C=C2C(=C1)CN(C2=O)C3=CC=C(C=C3)OCCN4CCCC4)OC","ZIWCXNQMIBEWNF-UHFFFAOYSA-N",379544,NA,"PDBC25540","664220","Present",NA,NA
+"25541","5,6-Dimethoxy-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethoxy-2-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1H-isoindole-1,3(2H)-dione",NA,"COC1=C(C=C2C(=C1)C(=O)N(C2=O)C3=CC=C(C=C3)OCCN4CCCC4)OC","BUTFOWCWBBFYMG-UHFFFAOYSA-N",379548,NA,"PDBC25541","664224","Present",NA,NA
+"25542","5,6-Dimethoxy-2-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RHWBIJFJDHSLFI-UHFFFAOYSA-N",NA,"COC1=C(C2=C(C=C1)C=C(C=C2)C(=O)O)OC","RHWBIJFJDHSLFI-UHFFFAOYSA-N",380861,NA,"PDBC25542","666601","Present",NA,NA
+"25543","5,6-Dimethoxy-3-phenyl-2,1-benzisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethoxy-3-phenyl-2,1-benzisoxazole",NA,"COC1=CC2=C(ON=C2C=C1OC)C3=CC=CC=C3","CEEUXQDMFJWGAB-UHFFFAOYSA-N",363744,NA,"PDBC25543","628935","Present",NA,NA
+"25544","5,6-Dimethoxy-9-(methylthio)furo[3',4':4,5]cyclopenta[1,2,3-ij]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethoxy-9-(methylthio)furo[3',4':4,5]cyclopenta[1,2,3-ij]isoquinoline",NA,"COC1=C(C2=C3C(=C1)C=CN=C3C4=C(OC=C24)SC)OC","KEWOBOAPSKTWLC-UHFFFAOYSA-N",363754,NA,"PDBC25544","628946","Present",NA,NA
+"25545","5,6-Dimethoxy-N-(2-phenylethyl)-2-naphthamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethoxy-N-(2-phenylethyl)-2-naphthamide",NA,"COC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NCCC3=CC=CC=C3)OC","FEAWYMCBPYEOQN-UHFFFAOYSA-N",380854,NA,"PDBC25545","666594","Present",NA,NA
+"25546","5,6-Dimethoxy-N-[2-(piperidin-2-yl)ethyl]quinolin-8-amine--hydrogen iodide (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethoxy-N-(2-piperidin-2-ylethyl)quinolin-8-amine;hydroiodide",NA,"COC1=C(C2=C(C(=C1)NCCC3CCCCN3)N=CC=C2)OC.I","SFXJJDBNSMYEDP-UHFFFAOYSA-N",24182013,NA,"PDBC25546","13275","Present",NA,NA
+"25547","5,6-Dimethoxyphenanthrene-9-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethoxyphenanthrene-9-carboxylic acid",NA,"COC1=C(C2=C(C=C1)C(=CC3=CC=CC=C32)C(=O)O)OC","VWWCKIFSQVBURI-UHFFFAOYSA-N",363550,NA,"PDBC25547","628514","Present",NA,NA
+"25548","5,6-Dimethyl-1-tetrahydrofuran-2-yl-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-1-tetrahydrofuran-2-yl-benzimidazole",NA,"CC1=CC2=C(C=C1C)N(C=N2)C3CCCO3","FSRRNQVQTHCLOS-UHFFFAOYSA-N",388074,NA,"PDBC25548","682537","Present",NA,NA
+"25549","5,6-Dimethyl-1-tetrahydrofuran-2-yl-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-1-tetrahydrofuran-2-yl-benzotriazole",NA,"CC1=CC2=C(C=C1C)N(N=N2)C3CCCO3","GIGGANWDNCFNAN-UHFFFAOYSA-N",388085,NA,"PDBC25549","682548","Present",NA,NA
+"25550","5,6-Dimethyl-1-tetrahydropyran-2-yl-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-1-tetrahydropyran-2-yl-benzimidazole",NA,"CC1=CC2=C(C=C1C)N(C=N2)C3CCCCO3","ASIWCDIGTQZVDE-UHFFFAOYSA-N",388075,NA,"PDBC25550","682538","Present",NA,NA
+"25551","5,6-Dimethyl-1-tetrahydropyran-2-yl-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-1-tetrahydropyran-2-yl-benzotriazole",NA,"CC1=CC2=C(C=C1C)N(N=N2)C3CCCCO3","LENMEYVGKIGSTM-UHFFFAOYSA-N",388093,NA,"PDBC25551","682556","Present",NA,NA
+"25552","5,6-Dimethyl-2,3-dihydrothieno[2,3-c]pyridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-2,3-dihydrothieno[2,3-c]pyridin-7-one",NA,"CC1=CC2=C(C(=O)N1C)SCC2","RWQODWKLONPNAO-UHFFFAOYSA-N",394440,NA,"PDBC25552","697916","Present",NA,NA
+"25553","5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)-1-propenyl)-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzothiazole, 2-[2,2-bis(trifluoromethyl)ethenyl]-5,6-d...",NA,"CC1=CC2=C(C=C1C)SC(=N2)C=C(C(F)(F)F)C(F)(F)F","JOUFTDDYFMLDEQ-UHFFFAOYSA-N",379609,NA,"PDBC25553","664311","Present",NA,NA
+"25554","5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-2-(3,3,3-trifluoro-2-(trifluoromethyl)propyl)-1,3-benzoxazole",NA,"CC1=CC2=C(C=C1C)OC(=N2)CC(C(F)(F)F)C(F)(F)F","JCOWKOLVSDNUKY-UHFFFAOYSA-N",379612,NA,"PDBC25554","664316","Present",NA,NA
+"25555","5,6-Dimethyl-2-tetrahydrofuran-2-yl-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-2-tetrahydrofuran-2-yl-benzotriazole",NA,"CC1=CC2=NN(N=C2C=C1C)C3CCCO3","HNXREWONHFFYJK-UHFFFAOYSA-N",388088,NA,"PDBC25555","682551","Present",NA,NA
+"25556","5,6-Dimethyl-2-tetrahydropyran-2-yl-benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-2-tetrahydropyran-2-yl-benzotriazole",NA,"CC1=CC2=NN(N=C2C=C1C)C3CCCCO3","DRBPVLGXHIWXJV-UHFFFAOYSA-N",388096,NA,"PDBC25556","682559","Present",NA,NA
+"25557","5,6-Dimethyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678052///NSC678055",NA,"CC1=C(N(C(=S)C(=C1)C#N)C2C(C(C(C(O2)CO)O)O)O)C","DFPFNKQBBAZTQH-UHFFFAOYSA-N",386294,NA,"PDBC25557","678052///678055","Present",NA,NA
+"25558","5,6-Dimethyl-4,4-dioxo-7-(2-pyridylmethyl)-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-4,4-dioxo-7-(2-pyridylmethyl)-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,"CC1=C(N(C2=C1S(=O)(=O)C(=NN2)C#N)CC3=CC=CC=N3)C","FLRLXZPKQGTFRM-UHFFFAOYSA-N",392826,NA,"PDBC25558","693803","Present",NA,NA
+"25559","5,6-Dimethyl-4,4-dioxo-7-phenethyl-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-4,4-dioxo-7-phenethyl-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,"CC1=C(N(C2=C1S(=O)(=O)C(=NN2)C#N)CCC3=CC=CC=C3)C","URYPMWFGKXFEHU-UHFFFAOYSA-N",392822,NA,"PDBC25559","693799","Present",NA,NA
+"25560","5,6-Dimethyl-4-((5-methyl-1,1-dioxido-3-oxo-2-phenyl-1,2,6-thiadiazinan-4-yl)methyl)-2-phenyl-2H-1,2,6-thiadiazin-3(6H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl-4-((5-methyl-1,1-dioxido-3-oxo-2-phenyl-1,2,6-thiadiazinan-4-yl)methyl)-2-phenyl-2H-1,2,6-thiadiazin-3(6H)-one 1,1-dioxide",NA,"CC1C(C(=O)N(S(=O)(=O)N1)C2=CC=CC=C2)CC3=C(N(S(=O)(=O)N(C3=O)C4=CC=CC=C4)C)C","QGIHEFHWYZSHNW-UHFFFAOYSA-N",370227,NA,"PDBC25560","642971","Present",NA,NA
+"25561","5,6-Dimethyl-N-phenethylthieno[2,3-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK755838",NA,"CC1=C(SC2=NC=NC(=C12)NCCC3=CC=CC=C3)C","FRYCCZAEQMQZNB-UHFFFAOYSA-N",403008,NA,"PDBC25561","717481","Present",NA,NA
+"25562","5,6-Dimethyl-acridone-4-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethyl- acridone-4-acetic acid",NA,"CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3N2)CC(=O)O)C.[Na+]","GLOGJGPLCBKOFR-UHFFFAOYSA-N",54598897,NA,"PDBC25562","677596","Present",NA,NA
+"25563","5,6-Dimethylbenzimidazolium-trans-tetrachlorobis (5,6-di...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dimethylbenzimidazolium-trans-tetrachlorobis (5,6-di...",NA,NA,NA,NA,NA,"PDBC25563","630139","Present",NA,NA
+"25564","5,6-Dioxo-11H-inden o[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-dimethylamino-1-propyl)-5,6-dioxo-11H-i...",NA,"CN(C)CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","FYGFCQLVSPTQEJ-UHFFFAOYSA-N",11256032,NA,"PDBC25564","726975","Present",NA,NA
+"25565","5,6-Diphenyl-3-(2-(3-phenyl-3-(phenylthio)-1-propenyl)hydrazino)-2,5-dihydro-1,2,4-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(5,6-Diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazino)-1-phenyl-2-propenyl phenyl sulfide",NA,"C1=CC=C(C=C1)C2C(=NNC(=N2)NNC=CC(C3=CC=CC=C3)SC4=CC=CC=C4)C5=CC=CC=C5","HDKXFUMPAGMDHU-QURGRASLSA-N",6080448,NA,"PDBC25565","640628","Present",NA,NA
+"25566","5,6-Diphenyl-5,6-dihydropyrrolo[3,4-c]pyrazol-4(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Diphenyl-5,6-dihydropyrrolo[3,4-c]pyrazol-4(2H)-one",NA,"C1=CC=C(C=C1)C2C3=C(C=NN3)C(=O)N2C4=CC=CC=C4","BPQMRSKQWJGKBY-UHFFFAOYSA-N",379282,NA,"PDBC25566","663788","Present",NA,NA
+"25567","5,6-Dipyridin-2-ylpyrazine-2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WGSBXSBPVUTUKB-UHFFFAOYSA-N",NA,"C1=CC=NC(=C1)C2=NC(=C(N=C2C3=CC=CC=N3)C#N)C#N","WGSBXSBPVUTUKB-UHFFFAOYSA-N",396371,NA,"PDBC25567","702320","Present",NA,NA
+"25568","5,6-Epxoyphysalin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHYSALIN B 5,6-EPOXIDE",NA,"CC12CC3C4(C56C1C(=O)C(O5)(C7CC8C9(O8)CC=CC(=O)C9(C7CCC6(C(=O)O4)O)C)OCC2C(=O)O3)C","VSLWNSSUMFSGFF-UHFFFAOYSA-N",433531,NA,"PDBC25568","332595","Present",NA,NA
+"25569","5,6-Quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Quinolinedione",NA,"C1=CC2=C(C=CC(=O)C2=O)N=C1","YLSMOFSAPNMDOC-UHFFFAOYSA-N",344174,NA,"PDBC25569","400944","Present",NA,NA
+"25570","5,6-b']Dinaphthalene-7,15-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-b']dinaphthalene-7,15-dione",NA,"CN(C)NC1=NS(=O)(=O)C2=C(S1)C=C3C(=C2)C(=O)N(C4=CC5=C(C=C4C(=O)N3N(C)C)S(=O)(=O)N=C(S5)NN(C)C)N(C)C","HRQMQKPWYYFITN-UHFFFAOYSA-N",378504,NA,"PDBC25570","661104","Present",NA,NA
+"25571","5,6-dibromo-2-oxiranyl-6-methyl-1,2-oxidoheptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-dibromo-2-oxiranyl-6-methyl-1,2-oxidoheptane",NA,"CC(C)(C(CCC1(CO1)C2CO2)Br)Br","WCSBTSWCLLSCFB-UHFFFAOYSA-N",379053,NA,"PDBC25571","662823","Present",NA,NA
+"25572","5,6:9,8-Bis[oxy(2-methylpropane-2,3-diyl)]dibenzo[a,j]phenazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6,26,26-Tetramethyl-7,25-dioxa-2,16-diazaheptacyclo[15.11.0.03,15.04,8.09,14.018,23.024,28]octacosa-1,3(15),4(8),9,11,13,16,18,20,22,24(28)-undecaene",NA,"CC1(CC2=C(O1)C3=CC=CC=C3C4=C2N=C5C6=C(C7=CC=CC=C7C5=N4)OC(C6)(C)C)C","FEBDTUPXSQYUQP-UHFFFAOYSA-N",397768,NA,"PDBC25572","706191","Present",NA,NA
+"25573","5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMPK12113330",NA,"COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)O)OC)OC)O","AOOSHVWNBJZOEH-UHFFFAOYSA-N",5386962,NA,"PDBC25573","618933","Present",NA,NA
+"25574","5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7,3'-Trihydroxy-3,6,8,4',5'-pentamethoxyflavone",NA,"COC1=CC(=CC(=C1OC)O)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC","NFIDLKYHCKUWAW-UHFFFAOYSA-N",5352085,NA,"PDBC25574","692307","Present",NA,NA
+"25575","5,7,4'-trihydroxy-8-c-prenyldihydro-flavonol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7,4'-trihydroxy-8-c-prenyldihydro-flavonol",NA,"CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(C(O2)C3=CC=C(C=C3)O)O)C","IPWPEUJWMOPJDG-UHFFFAOYSA-N",368925,NA,"PDBC25575","640333","Present",NA,NA
+"25576","5,7,8-Trimethoxy-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7,8-Trimethoxy-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene",NA,"COC1=CC(=C(C2=C1C=CCC2C3=CC(=C(C=C3OC)OC)OC)OC)OC","HEVCGGWNZOCYBP-UHFFFAOYSA-N",360164,NA,"PDBC25576","622097","Present",NA,NA
+"25577","5,7-Bis(carbomethoxy)-6-hydroxy-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Bis(carbomethoxy)-6-hydroxy-1,4-naphthoquinone",NA,"COC(=O)C1=C(C(=C2C(=O)C=CC(=O)C2=C1)C(=O)OC)O","KJPUTDKQDZJLGV-UHFFFAOYSA-N",368858,NA,"PDBC25577","640193","Present",NA,NA
+"25578","5,7-Bis(dimethylamino)-2-(2-(hydroxy(oxido)amino)phenyl)(1,2,4)triazolo(1,5-a)(1,3,5)triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Bis(dimethylamino)-2-(2-(hydroxy(oxido)amino)phenyl)(1,2,4)triazolo(1,5-a)(1,3,5)triazine",NA,"CN(C)C1=NC2=NC(=NN2C(=N1)N(C)C)C3=CC=CC=C3[N+](=O)[O-]","CGWSOSGCEDSGDS-UHFFFAOYSA-N",330714,NA,"PDBC25578","319951","Present",NA,NA
+"25579","5,7-Bis(trifluoromethyl)-2,3-dihydroisothiazolo[2,3-a]azepine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isothiazolo[2,3-a]azepine, 5,7-bis(trifluoromethyl)- 2,3...",NA,"C1CS(=O)(=O)N2C1=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","SPYVOADDHVSQOG-UHFFFAOYSA-N",354292,NA,"PDBC25579","605440","Present",NA,NA
+"25580","5,7-Dichloro-1H-thieno[3,4-b]pyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-1h-thieno[3,4-e]pyridin-2-one",NA,"C1=CC(=O)NC2=C(SC(=C21)Cl)Cl","GWNPBGQLUSBVMS-UHFFFAOYSA-N",397154,NA,"PDBC25580","704555","Present",NA,NA
+"25581","5,7-Dichloro-2-phenylquinolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-2-phenylquinolin-4-ol",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3Cl)Cl","ADDCHPPUBPELLX-UHFFFAOYSA-N",375913,NA,"PDBC25581","656250","Present",NA,NA
+"25582","5,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,"C1=COC(=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","RHDRZDUIEIVCRG-UHFFFAOYSA-N",366627,NA,"PDBC25582","635302","Present",NA,NA
+"25583","5,7-Dichloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-1,3-dihydro-2H-indol-2-one",NA,"C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)F","BDNAEDXMOWNCIW-UHFFFAOYSA-N",366727,NA,"PDBC25583","635444","Present",NA,NA
+"25584","5,7-Dichloro-3-[2-(2,4-dibromophenyl)-2-oxo-ethyl]-3-hydroxy-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indol-2-one, 3-[2-(2,4-dibromophenyl)-2-oxoethyl]- 5,...",NA,"C1=CC(=C(C=C1Br)Br)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","SGEQJPGMZJHPIN-UHFFFAOYSA-N",366688,NA,"PDBC25584","635405","Present",NA,NA
+"25585","5,7-Dichloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole-2,3-dione, 5,7-dichloro-, 3-[(o-nitrophenyl) hydr...",NA,"C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O)[N+](=O)[O-]","MGGOGLZHYDRDOA-UHFFFAOYSA-N",3724036,NA,"PDBC25585","117187","Present",NA,NA
+"25586","5,7-Dichloro-3-hydroxy-3-(1-oxo-2,3-dihydro-1H-inden-2-yl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-hydroxy-3-(1-oxo-2,3-dihydro-1H-inden-2-yl)-1,3-dihydro-2H-indol-2-one",NA,"C1C(C(=O)C2=CC=CC=C21)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","HTHBQTFZAGJJCD-UHFFFAOYSA-N",366639,NA,"PDBC25586","635314","Present",NA,NA
+"25587","5,7-Dichloro-3-hydroxy-3-(2-(1-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-hydroxy-3-(2-(1-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)CC3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","XPVRXXHQUZULBI-UHFFFAOYSA-N",366653,NA,"PDBC25587","635328","Present",NA,NA
+"25588","5,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-hydroxy-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","GCHNDAJZGRASHZ-UHFFFAOYSA-N",366527,NA,"PDBC25588","635136","Present",NA,NA
+"25589","5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxy-3-methoxyphenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-dichloro-3-hydroxy-3-[2-(4-hydroxy-3-methoxyphenyl)-...",NA,"COC1=C(C=CC(=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)O","XNEACTYFIWKRDG-UHFFFAOYSA-N",366624,NA,"PDBC25589","635299","Present",NA,NA
+"25590","5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-hydroxy-3-(2-(4-hydroxyphenyl)-1-methyl-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,"CC(C(=O)C1=CC=C(C=C1)O)C2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","ARAHZOQFRZLIQU-UHFFFAOYSA-N",366622,NA,"PDBC25590","635297","Present",NA,NA
+"25591","5,7-Dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-dichloro-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-d...",NA,"C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","DUESBWOCHRCRBK-UHFFFAOYSA-N",366637,NA,"PDBC25591","635312","Present",NA,NA
+"25592","5,7-Dichloro-3-hydroxy-3-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-1,3-dihydro-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-hydroxy-3-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]-1,3-dihydro-indol-2-one",NA,"CC1=C(C2=CC=CC=C2N1)C(=O)CC3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","CEIIMNABGZPOEZ-UHFFFAOYSA-N",366649,NA,"PDBC25592","635324","Present",NA,NA
+"25593","5,7-Dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-2,3-dihydro-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","CGVKNDAEXKLQAY-UHFFFAOYSA-N",366721,NA,"PDBC25593","635438","Present",NA,NA
+"25594","5,7-Dichloro-3-hydroxy-3-[2-(4-hydroxy-6-methyl-2-oxo-2H-pyran-3-yl)-2-oxoethyl]-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-hydroxy-3-[2-(4-hydroxy-6-methyl-2-oxo-pyran-3-yl)-2-oxo-ethyl]indolin-2-one",NA,"CC1=CC(=C(C(=O)O1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)O","ORAMVSKOWWUEET-UHFFFAOYSA-N",54676236,NA,"PDBC25594","625910","Present",NA,NA
+"25595","5,7-Dichloro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxo-ethyl]indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-dichloro-3-hydroxy-3-[2-(4-nitrophenyl)-2-oxoethyl]-...",NA,"C1=CC(=CC=C1C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O)[N+](=O)[O-]","SNBMSGAENDBKPB-UHFFFAOYSA-N",366651,NA,"PDBC25595","635326","Present",NA,NA
+"25596","5,7-Dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-hydroxy-3-phenacyl-1H-indol-2-one",NA,"C1=CC=C(C=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)Cl)NC2=O)O","PUKFQHGCBHIUKI-UHFFFAOYSA-N",359737,NA,"PDBC25596","621183","Present",NA,NA
+"25597","5,7-Dichloro-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,"C1=CC=C(C=C1)N2C3=C(C(=NC(=N3)Cl)Cl)SC2=S","GYEBXKRPTRUWGB-UHFFFAOYSA-N",373698,NA,"PDBC25597","650590","Present",NA,NA
+"25598","5,7-Dichloro-8-[(5,5'-ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-8-[(5,5'-ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline",NA,"CC(C)(C)C1=CC2=C(C=C1)OP3(O2)(OC4=C(O3)C=C(C=C4)C(C)(C)C)OC5=C(C=C(C6=C5N=CC=C6)Cl)Cl","FNVKFXZFEBNUOF-UHFFFAOYSA-N",360386,NA,"PDBC25598","622451","Present",NA,NA
+"25599","5,7-Dichloro[1,3]dithiolo[4,5-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dithiolo[3,4-d]pyrimidine-2-thione, 5,7-dichloro-",NA,"C12=C(N=C(N=C1Cl)Cl)SC(=S)S2","GYIKKMRDMPCYGT-UHFFFAOYSA-N",385060,NA,"PDBC25599","675989","Present",NA,NA
+"25600","5,7-Dichloroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester",NA,"CCOC(=O)C1=CN2C3=C(C=C(C=C3Cl)Cl)SC2=N1","SYYAOKDHJQDQSK-UHFFFAOYSA-N",396587,NA,"PDBC25600","703095","Present",NA,NA
+"25601","5,7-Dichloroisatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-dichloroisatin",NA,"C1=C(C=C(C2=C1C(=O)C(=O)N2)Cl)Cl","AYGGQJHJRFZDFH-UHFFFAOYSA-N",80771,NA,"PDBC25601","26045","Present",NA,NA
+"25602","5,7-Difluoro-2-phenylquinolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Difluoro-2-phenylquinolin-4-ol",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3F)F","MCRQMTJKYFYOOH-UHFFFAOYSA-N",375908,NA,"PDBC25602","656245","Present",NA,NA
+"25603","5,7-Dihydroquinolino[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Quino[3,2-d][1]benzazepine-6(7H)-one",NA,"C1C2=CC3=CC=CC=C3N=C2C4=CC=CC=C4NC1=O","NWNLZNHOGRVYJX-UHFFFAOYSA-N",386347,NA,"PDBC25603","678130","Present",NA,NA
+"25604","5,7-Dihydroquinolino[3,2-d][1]benzazepine-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dihydroquinolino[3,2-d][1]benzazepine-6-thione",NA,"C1C2=CC3=CC=CC=C3N=C2C4=CC=CC=C4NC1=S","IQJXCSSFHCGRMU-UHFFFAOYSA-N",3005168,NA,"PDBC25604","679092","Present",NA,NA
+"25605","5,7-Dihydroxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dihydroxy-2-(2,3,4-trimethoxyphenyl)chromen-4-one",NA,"COC1=C(C(=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC)OC","WGENACRXJPEGDC-UHFFFAOYSA-N",5467243,NA,"PDBC25605","649088","Present",NA,NA
+"25606","5,7-Dihydroxy-2-[3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dihydroxy-2-[3-[(E)-3-hydroxy-3-methylbut-1-enyl]-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-2,3-dihydrochromen-4-one",NA,"CC(=CCC1=C(C(=CC(=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)C=CC(C)(C)O)OC)C","BOBWTYODGOYWRC-CMDGGOBGSA-N",5472156,NA,"PDBC25606","716722","Present",NA,NA
+"25607","5,7-Dihydroxy-2-nonylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dihydroxy-2-nonyl-chromen-4-one",NA,"CCCCCCCCCC1=CC(=O)C2=C(C=C(C=C2O1)O)O","GNPQWPVJZHHCFA-UHFFFAOYSA-N",5378621,NA,"PDBC25607","684578","Present",NA,NA
+"25608","5,7-Dihydroxy-2-oxo-4-propylchromene-8-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZAJHTCIZKOYEAX-UHFFFAOYSA-N",NA,"CCCC1=CC(=O)OC2=C(C(=CC(=C12)O)O)C=O","ZAJHTCIZKOYEAX-UHFFFAOYSA-N",5466199,NA,"PDBC25608","681245","Present",NA,NA
+"25609","5,7-Dihydroxy-3',4'-dimethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kampferol-3,4'-dimethyl ether",NA,"COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)OC","AOLOMULCAJQEIG-UHFFFAOYSA-N",5351234,NA,"PDBC25609","128305","Present",NA,NA
+"25610","5,7-Dihydroxy-3-(4-hydroxybenzylidene)-6-methoxychroman-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Hydroxybenzylidene)-5,7-dihydroxy-6-methoxychroman-...",NA,"COC1=C(C2=C(C=C1O)OCC(=CC3=CC=C(C=C3)O)C2=O)O","XBKVYKNZOWKIBD-UXBLZVDNSA-N",5472706,NA,"PDBC25610","720875","Present",NA,NA
+"25611","5,7-Dihydroxy-3-[3-hydroxy-2-(3-hydroxy-4-methoxy-phenyl)-4-oxo-chroman-8-yl]-2-(4-hydroxyphenyl)chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dihydroxy-3-[3-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-8-yl]-2-(4-hydroxyphenyl)chromen-4-one",NA,"COC1=C(C=C(C=C1)C2C(C(=O)C3=CC=CC(=C3O2)C4=C(OC5=CC(=CC(=C5C4=O)O)O)C6=CC=C(C=C6)O)O)O","LIXLQHZDLFCVIN-UHFFFAOYSA-N",5465661,NA,"PDBC25611","658583","Present",NA,NA
+"25612","5,7-Dihydroxy-6-((2-hydroxy-5-isopropyl-3-oxo-1,4,6-cycloheptatrien-1-yl)(4-methoxyphenyl)methyl)-2-phenyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dihydroxy-6-[(2-hydroxy-3-oxo-5-propan-2-ylcyclohepta-1,4,6-trien-1-yl)-(4-methoxyphenyl)methyl]-2-phenylchromen-4-one",NA,"CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OC)C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=CC=C5)O)O","NITWTRKENZMDSS-UHFFFAOYSA-N",361382,NA,"PDBC25612","624406","Present",NA,NA
+"25613","5,7-Dimethoxy-2-4-[5-(3,4,5-trimethoxyphenyl)-1H-1-imidazolyl]phenyl-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-dimethoxy-2-4-[5-(3,4,5-trimethoxyphenyl)-1H-1-imida...",NA,"COC1=CC2=C(C(=C1)OC)SC(=N2)C3=CC=C(C=C3)N4C=NC=C4C5=CC(=C(C(=C5)OC)OC)OC","FYWRFMCIWNBVAB-UHFFFAOYSA-N",60147634,NA,"PDBC25613","751899","Present",NA,NA
+"25614","5,7-Dimethoxy-2-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dimethoxy-2-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,4-dione",NA,"CC1(OCCCO1)CC2=CC(=O)C3=C(C2=O)C=C(C=C3OC)OC","ZHOZOWOWNFLURO-UHFFFAOYSA-N",372272,NA,"PDBC25614","647328","Present",NA,NA
+"25615","5,7-Dimethoxy-2-oxo-2H-1-benzopyran-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-3-carboxylic acid, 5,7-dimethoxy-2-oxo-",NA,"COC1=CC2=C(C=C(C(=O)O2)C(=O)O)C(=C1)OC","ANBQYCWQBFWXTH-UHFFFAOYSA-N",10264101,NA,"PDBC25615","746848","Present",NA,NA
+"25616","5,7-Dimethoxy-3-(4-methoxyphenyl)-2-pyridin-3-yl-2,3-dihydrochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dimethoxy-3-(4-methoxyphenyl)-2-(pyridin-3-yl)-2,3-dihydro-4H-chromen-4-one",NA,"COC1=CC=C(C=C1)C2C(OC3=C(C2=O)C(=CC(=C3)OC)OC)C4=CN=CC=C4","KSVXEEMRTGJPEI-UHFFFAOYSA-N",381881,NA,"PDBC25616","669144","Present",NA,NA
+"25617","5,7-Dimethoxy-3-phenyl-2-pyridin-3-yl-2,3-dihydrochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dimethoxy-3-phenyl-2-(pyridin-3-yl)-2,3-dihydro-4H-chromen-4-one",NA,"COC1=CC2=C(C(=C1)OC)C(=O)C(C(O2)C3=CN=CC=C3)C4=CC=CC=C4","FSMNLYWDBIFGPC-UHFFFAOYSA-N",381880,NA,"PDBC25617","669143","Present",NA,NA
+"25618","5,7-Dimethoxy-4-methylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 00872573",NA,"CC1=CC(=O)OC2=C1C(=CC(=C2)OC)OC","WFSKVHPOKPQJSU-UHFFFAOYSA-N",390799,NA,"PDBC25618","688795","Present",NA,NA
+"25619","5,7-Dimethoxyflavanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dimethoxyflavanon",NA,"COC1=CC2=C(C(=O)CC(O2)C3=CC=CC=C3)C(=C1)OC","IAFBOKYTDSDNHV-UHFFFAOYSA-N",378567,NA,"PDBC25619","661206","Present",NA,NA
+"25620","5,7-Dimethyl-1,2,3-benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dimethyl-1,2,3-benzodithiazol-1-ium;chloride",NA,"CC1=CC2=NS[S+]=C2C(=C1)C.[Cl-]","PFFJBUUOXNRLRO-UHFFFAOYSA-M",359776,NA,"PDBC25620","621344","Present",NA,NA
+"25621","5,7-Dimethyl-2-phenylquinolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dimethyl-2-phenylquinolin-4-ol",NA,"CC1=CC(=C2C(=C1)NC(=CC2=O)C3=CC=CC=C3)C","LWGDYKNQKDYFPS-UHFFFAOYSA-N",380403,NA,"PDBC25621","665925","Present",NA,NA
+"25622","5,7-Dimethyl-3-phenylisoxazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5',7-Dimethyl-3-phenyl-isoxazolo(3,4-d)pyrimidin-4,6-dione",NA,"CN1C2=NOC(=C2C(=O)N(C1=O)C)C3=CC=CC=C3","AMRYLFCALUMNPV-UHFFFAOYSA-N",387458,NA,"PDBC25622","681264","Present",NA,NA
+"25623","5,7-Dimethyl-3H-1,2,3-benzodithiazole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dimethyl-3H-1,2,3-benzodithiazole 2-oxide",NA,"CC1=CC(=C2C(=C1)NS(=O)S2)C","AWECTPWLHFSJDF-GFCCVEGCSA-N",367356,NA,"PDBC25623","636993","Present",NA,NA
+"25624","5,7-Dimethyl-3H-indolizin-4-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dimethyl-3H-indolizin-4-ium;perchlorate",NA,"CC1=CC(=[N+]2CC=CC2=C1)C.[O-]Cl(=O)(=O)=O","XTWYJDCHIYMWNN-UHFFFAOYSA-M",13860657,NA,"PDBC25624","622503","Present",NA,NA
+"25625","5,7-Dimethyl-4-phenyl-1H-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dimethyl-4-phenylquinolin-2(1H)-one",NA,"CC1=CC(=C2C(=CC(=O)NC2=C1)C3=CC=CC=C3)C","OHNWLNQFOCBDFP-UHFFFAOYSA-N",380409,NA,"PDBC25625","665931","Present",NA,NA
+"25626","5,7-Dinitro-1H-indole-2,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dinitro-1H-indole-2,3-dicarboxylic acid",NA,"C1=C(C=C(C2=C1C(=C(N2)C(=O)O)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]","IPYQIERLCKCBJV-UHFFFAOYSA-N",280188,NA,"PDBC25626","131615","Present",NA,NA
+"25627","5,7-Dioxahexacyclo[6.5.1.02,11.03,14.04,10.09,13]tetradecane-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dioxahexacyclo[6.5.1.02,11.03,14.04,10.09,13]tetradecane-6-thione",NA,"C1C2C3C4C1C5C2C6C3C4C5OC(=S)O6","KYWFAWBRODSSIP-UHFFFAOYSA-N",363764,NA,"PDBC25627","628971","Present",NA,NA
+"25628","5,7-Dioxobicyclo[2.2.1]heptane-2,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dioxobicyclo[2.2.1]heptane-2,3-dicarboxylic acid",NA,"C1C2C(C(C(C1=O)C2=O)C(=O)O)C(=O)O","HMRHDYJPOIFZBZ-UHFFFAOYSA-N",274449,NA,"PDBC25628","120495","Present",NA,NA
+"25629","5,7-Dioxocyclopenta[c]pyridine-6,6-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dioxocyclopenta[c]pyridine-6,6-dicarbonitrile",NA,"C1=CN=CC2=C1C(=O)C(C2=O)(C#N)C#N","VGDVBZQQBCTORT-UHFFFAOYSA-N",389472,NA,"PDBC25629","685680","Present",NA,NA
+"25630","5,7-Diphenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_004393",NA,"C1=CC=C(C=C1)C2C=C(NC3=NN=NN23)C4=CC=CC=C4","BPQBPYCYPRIGLJ-UHFFFAOYSA-N",404636,NA,"PDBC25630","721064","Present",NA,NA
+"25631","5,7-Ditert-butyl-8-hydroxy-1,4-benzoxathiin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Ditert-butyl-8-hydroxy-1,4-benzoxathiin-2-one",NA,"CC(C)(C)C1=CC(=C2C(=C1O)OC(=O)CS2)C(C)(C)C","YQDDSWHINDJAQC-UHFFFAOYSA-N",398520,NA,"PDBC25631","708431","Present",NA,NA
+"25632","5,7a-Dicyano-4,7-dihydroxy-i ndol-3-cabonacidethylester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichloro-1-(4-chlorphenyl)-3a,7a-dicyano-4,7-dihydro...",NA,"CCOC(=O)C1=C(N(C2(C1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)C3=CC=C(C=C3)Cl)C","WFHWZRBFDPYQNQ-VQTJNVASSA-N",24205845,NA,"PDBC25632","736919","Present",NA,NA
+"25633","5,7a-Dicyano-4,7-dihydroxy-indol-3-carbonacidethylester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichlor-1-(4-methoxyphenyl)-3a,7a-dicyano-4,7-dihydr...",NA,"CCOC(=O)C1=C(N(C2(C1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4","UIOROZPWBOJTSS-IZZNHLLZSA-N",24205847,NA,"PDBC25633","736921","Present",NA,NA
+"25634","5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carbonitrile",NA,"CC1=CC2=C(C(=O)OC2(C(C1)C3=CC=CC=C3)C)C#N","BWPCOPALCNZLRA-UHFFFAOYSA-N",354550,NA,"PDBC25634","606566","Present",NA,NA
+"25635","5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7a-Dimethyl-2-oxo-7-phenyl-2,6,7,7a-tetrahydro-1-benzofuran-3-carboxamide",NA,"CC1=CC2=C(C(=O)OC2(C(C1)C3=CC=CC=C3)C)C(=O)N","DSRJHESEKMVRDL-UHFFFAOYSA-N",354551,NA,"PDBC25635","606567","Present",NA,NA
+"25636","5,8,13,13a-Tetrahydro-2,3,4,10-tetramethoxy-6H-dibenzo[a,g]quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8,13,13a-Tetrahydro-2,3,4,10-tetramethoxy-6H-dibenzo(a...",NA,"COC1=CC2=C(CC3C4=CC(=C(C(=C4CCN3C2)OC)OC)OC)C=C1","WDKVEUAJLWWOEF-UHFFFAOYSA-N",370819,NA,"PDBC25636","644470","Present",NA,NA
+"25637","5,8,14-Triacetoxy-3-benzoyloxy-15-hydroxy-9-oxoparaliane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2R,3R,4S,5S,7R,8R,9S,10S,14S)-2,8,14-Triacetyloxy-7-hydroxy-1,5,9,12,12-pentamethyl-13-oxo-4-tetracyclo[7.6.0.03,7.010,14]pentadecanyl] benzoate",NA,"CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5(C(C4(C2OC(=O)C)C)CC(C5=O)(C)C)OC(=O)C)C)OC(=O)C)O","IEQTVHJLWRGNIY-ANWQMKQLSA-N",390635,NA,"PDBC25637","688237","Present",NA,NA
+"25638","5,8-Bis(2-dimethylaminoethylamino)benzo[f][1,3]benzothiazole-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Bis(2-dimethylaminoethylamino)benzo[f][1,3]benzothiazole-4,9-dione",NA,"CN(C)CCNC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(C2=O)N=CS3","JMDAJKDMUPMFLN-UHFFFAOYSA-N",389763,NA,"PDBC25638","686359","Present",NA,NA
+"25639","5,8-Bis(benzyloxy)naphtho[2,3-c]thiophene-4,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Bis(benzyloxy)naphtho[2,3-c]thiophene-4,9-dione",NA,"C1=CC=C(C=C1)COC2=C3C(=C(C=C2)OCC4=CC=CC=C4)C(=O)C5=CSC=C5C3=O","UUPOCRWJAMPRTK-UHFFFAOYSA-N",383761,NA,"PDBC25639","672203","Present",NA,NA
+"25640","5,8-Bis(cyclopropylmethylamino)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Bis[(cyclopropylmethyl)amino]naphthalene-1,4-dione",NA,"C1CC1CNC2=C3C(=O)C=CC(=O)C3=C(C=C2)NCC4CC4","RPDBXYUSYQRSKQ-UHFFFAOYSA-N",384114,NA,"PDBC25640","673343","Present",NA,NA
+"25641","5,8-Difluoro-2-phenyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Difluoro-2-phenylquinolin-4(1H)-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(C=CC(=C3N2)F)F","MZUVMNJFCBQLNV-UHFFFAOYSA-N",375909,NA,"PDBC25641","656246","Present",NA,NA
+"25642","5,8-Dihydroxy-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthazarin",NA,"C1=CC(=C2C(=O)C=CC(=O)C2=C1O)O","RQNVIKXOOKXAJQ-UHFFFAOYSA-N",10141,NA,"PDBC25642","26647","Present",NA,NA
+"25643","5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclobutane]-3,10,13-trione",NA,"CC12C3C(C(O1)C(=O)C24CCC4)C(=O)C5=C(C=CC(=C5C3=O)O)O","WICIIKBEJYOPSB-UHFFFAOYSA-N",406706,NA,"PDBC25643","724971","Present",NA,NA
+"25644","5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dihydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4,6,8-triene-14,1'-cyclopropane]-3,10,13-trione",NA,"CC12C3C(C(O1)C(=O)C24CC4)C(=O)C5=C(C=CC(=C5C3=O)O)O","YGGCOMOQBXNKPH-UHFFFAOYSA-N",406708,NA,"PDBC25644","724973","Present",NA,NA
+"25645","5,8-Dihydroxy-1-tetralone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dihydroxy-1-tetralone",NA,"C1CC2=C(C=CC(=C2C(=O)C1)O)O","RXOWVXQQENEZMJ-UHFFFAOYSA-N",357437,NA,"PDBC25645","616265","Present",NA,NA
+"25646","5,8-Dihydroxy-2-(2-methoxyethoxy)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Methoxyethoxy)naphthazarin",NA,"COCCOC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","OINAZLMVBPGQJC-UHFFFAOYSA-N",378620,NA,"PDBC25646","661413","Present",NA,NA
+"25647","5,8-Dihydroxy-2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-(4-(2-(2-Hydroxyethoxy)ethyl)piperazino))naphthazarin",NA,"C1CN(CCN1CCOCCO)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O","XUITXJZMJYGMRH-UHFFFAOYSA-N",376948,NA,"PDBC25647","658143","Present",NA,NA
+"25648","5,8-Dihydroxy-2-methoxynaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxynaphthazarin",NA,"COC1=CC(=O)C2=C(C=CC(=C2C1=O)O)O","PMJJQZXJIRDYGM-UHFFFAOYSA-N",377431,NA,"PDBC25648","658874","Present",NA,NA
+"25649","5,8-Dihydroxy-20,20-dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dihydroxy-20,20-dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4,6,8-triene-3,10,13-trione",NA,"CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=C(C=CC(=C6C5=O)O)O)C","UULWRCLKDWLSGP-UHFFFAOYSA-N",406720,NA,"PDBC25649","724985","Present",NA,NA
+"25650","5,8-Dihydroxy-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dihydroxy-4,4-dimethyl-3,4-dihydro-1(2H)-naphthalenone",NA,"CC1(CCC(=O)C2=C(C=CC(=C21)O)O)C","BQZRKXOVOCOIIM-UHFFFAOYSA-N",363421,NA,"PDBC25650","628332","Present",NA,NA
+"25651","5,8-Dihydroxy-6,7,3-trimethoxy-3',4'-methylenedioxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dihydroxy-6,7,3-trimethoxy-3',4'-methylenedioxyflavone",NA,"COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)O)OC","UHHDDYKSLMZWAD-UHFFFAOYSA-N",386325,NA,"PDBC25651","678101","Present",NA,NA
+"25652","5,8-Dimethoxy-1-propyl-3,4-dihydro-1H-naphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dimethoxy-1-propyl-3,4-dihydro-1H-naphthalen-2-one",NA,"CCCC1C(=O)CCC2=C(C=CC(=C12)OC)OC","WGYWSUWWASUMBX-UHFFFAOYSA-N",359519,NA,"PDBC25652","620502","Present",NA,NA
+"25653","5,8-Dimethoxy-2-(1-phenylethyl)naphthalene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dimethoxy-2-(1-phenylethyl)naphthalene-1-carboxylic acid",NA,"CC(C1=CC=CC=C1)C2=C(C3=C(C=CC(=C3C=C2)OC)OC)C(=O)O","OUSUNIIAWDSDOD-UHFFFAOYSA-N",362070,NA,"PDBC25653","625593","Present",NA,NA
+"25654","5,8-Dimethoxy-4-(p-(dimethylamino)styryl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/VB5150000",NA,"CN(C)C1=CC=C(C=C1)C=CC2=CC=NC3=C(C=CC(=C23)OC)OC","BXTQTAIINSWRAT-VMPITWQZSA-N",6105539,NA,"PDBC25654","268789","Present",NA,NA
+"25655","5,8-Dimethoxy-4-methylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dimethoxy-4-methylquinoline",NA,"CC1=CC=NC2=C(C=CC(=C12)OC)OC","NTCXGWIDEYATBA-UHFFFAOYSA-N",395433,NA,"PDBC25655","699978","Present",NA,NA
+"25656","5,8-Dimethoxy-4-oxo-1,3-dihydronaphthalene-2,2-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dimethoxy-4-oxo-1,3-dihydronaphthalene-2,2-dicarboxylic acid",NA,"COC1=C2CC(CC(=O)C2=C(C=C1)OC)(C(=O)O)C(=O)O","BYJLZPMOWLFPNJ-UHFFFAOYSA-N",358363,NA,"PDBC25656","618329","Present",NA,NA
+"25657","5,8-Dimethyl-4,7-bis(methylimino)-5a,8a-diphenyl-5,5a,8,8a-tetrahydro-4H-1,3,6-trioxa-5,8-diazaacenaphthylen-2(7H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Dimethyl-6,10-bis(methylimino)-1,8-diphenyl-2,5,9-trioxa-7,11-diazatricyclo[6.3.1.04,12]dodec-4(12)-en-3-one",NA,"CN=C1N(C2(C3=C(O1)C(=O)OC3(N(C(=NC)O2)C)C4=CC=CC=C4)C5=CC=CC=C5)C","RZOAUVQGDQHZBJ-UHFFFAOYSA-N",354262,NA,"PDBC25657","605334","Present",NA,NA
+"25658","5,8-Dimethyl-5,8-diazadispiro[2.0.4^{4}.4^{3}]dodeca-9,11-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dimethyl-5,8-diazadispiro[2.0.4^{4}.4^{3}]dodeca-9,11-diene",NA,"CN1CCN(C12C=CC=CC23CC3)C","YYDLVJFPPLSBJN-UHFFFAOYSA-N",362768,NA,"PDBC25658","627049","Present",NA,NA
+"25659","5,8-Dimethyl-6-nitro-9H-carbazol-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCRIS 8643",NA,"CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)O)C)[N+](=O)[O-]","TUAGXPFZJDEELX-UHFFFAOYSA-N",3808433,NA,"PDBC25659","652573","Present",NA,NA
+"25660","5,8-Dinitro-6-methoxyquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PJTNDEYGQDPRNS-UHFFFAOYSA-N",NA,"COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=CC=C2)[N+](=O)[O-]","PJTNDEYGQDPRNS-UHFFFAOYSA-N",347193,NA,"PDBC25660","405732","Present",NA,NA
+"25661","5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Dihydro-1h-5,8-ethano[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione",NA,"C1CC2C=CC1N3N2C(=O)NC3=O","VKVJQJBIZXBCSW-UHFFFAOYSA-N",391637,NA,"PDBC25661","691123","Present",NA,NA
+"25662","5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, 5,8-dihydro-2-[[(1E)-phenylmethylene]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-Benzylideneamino]-2,4,6-triazatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione",NA,"C1CC2C=CC1N3N2C(=O)N(C3=O)N=CC4=CC=CC=C4","CXWIGQCGZYLJJW-MHWRWJLKSA-N",5469638,NA,"PDBC25662","691121","Present",NA,NA
+"25663","5,8-Ethano-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione, tetrahydro-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyltetrahydro-1h-5,8-ethano[1,2,4]triazolo[1,2-a]pyridazine-1,3(2h)-dione",NA,"C1CC2CCC1N3N2C(=O)N(C3=O)C4=CC=CC=C4","UGRAYEKXXCWKMN-UHFFFAOYSA-N",391638,NA,"PDBC25663","691124","Present",NA,NA
+"25664","5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8,9-dihydro-11-(hydroxymethyl)-9-(3,4,5-trimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin-7(5H)-one, 8...",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(C(C4=CC5=C(C=C24)OCO5)OC3=O)CO","IXIUIXFHMVRZSY-UHFFFAOYSA-N",315392,NA,"PDBC25664","240553","Present",NA,NA
+"25665","5,8-Quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK136303",NA,"C1=CC2=C(C(=O)C=CC2=O)N=C1","NVJSPQCVDHGYRE-UHFFFAOYSA-N",388306,NA,"PDBC25665","682996","Present",NA,NA
+"25666","5,8-Quinolinedione, 2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Quinolinedione, 2-methyl-",NA,"CC1=NC2=C(C=C1)C(=O)C=CC2=O","SYRKLPUYGHMXDN-UHFFFAOYSA-N",388305,NA,"PDBC25666","682995","Present",NA,NA
+"25667","5,8-di(p-toluidino)-1,4-dihydroxyanthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-di(p-toluidino)-1,4-dihydroxyanthraquinone",NA,"CC1=CC=C(C=C1)NC2=C3C(=C(C=C2)NC4=CC=C(C=C4)C)C(=O)C5=C(C=CC(=C5C3=O)O)O","OZQQAZPMNWJRDQ-UHFFFAOYSA-N",90299,NA,"PDBC25667","86169","Present",NA,NA
+"25668","5,9-Dimethyl-deca-2,4,8-trienoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC107876",NA,"CCOC(=O)C=CC=C(C)CCC=C(C)C","OUMILASNGJWLED-JSJZFMHOSA-N",5380951,NA,"PDBC25668","107876","Present",NA,NA
+"25669","5,9-Methano-4aH-benzocyclohepten-4a-ol, decahydro-10-methylene-9a-(methylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Methylidene-7-methylsulfonyltricyclo[6.3.1.02,7]dodecan-2-ol",NA,"CS(=O)(=O)C12CCCCC1(C3CCCC2C3=C)O","YOPIYYKFENDUOM-UHFFFAOYSA-N",361326,NA,"PDBC25669","624352","Present",NA,NA
+"25670","5,9-Methano-6H,15H-dibenzo[b,i][1,11,4,5,7,8]dioxatetraazacyclotetradecine, 16,17-dihydro-7-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,9-Methano-6H,15H-dibenzo[b,i][1,11,4,5,7,8]dioxatetraazacyclotetradecine, 16,17-dihydro-7-phenyl-",NA,"C1COC2=CC=CC=C2N3CN(C4=CC=CC=C4OC1)N=C(N3)C5=CC=CC=C5","LVVAKKBDDNZPIW-UHFFFAOYSA-N",376167,NA,"PDBC25670","656679","Present",NA,NA
+"25671","5,9-Methylenedioxy-5,11-dioxo-6-propyl-11H-inden o[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-8,9-methylenedioxy-5,11-dioxo-6-propyl-11H-i...",NA,"CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC5=C(C=C42)OCO5","PWZSWARFJDGWPT-UHFFFAOYSA-N",11393445,NA,"PDBC25671","722453","Present",NA,NA
+"25672","5,9:7,11-Dimethano-5H-pyrrolo[1,2-a]azonine-3-carboxylic acid, 6,7,8,9,10,11-hexahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-azatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-diene-3-carboxylate",NA,"COC(=O)C1=CC=C2N1C3CC4CC(C3)CC2C4","MRWCFDRJSCBATG-UHFFFAOYSA-N",382984,NA,"PDBC25672","670942","Present",NA,NA
+"25673","5-(((4-Chlorobenzylidene)amino)methyl)-2-methyl-4-pyrimidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-({[(e)-(4-Chlorophenyl)methylidene]amino}methyl)-2-methylpyrimidin-4-amine",NA,"CC1=NC=C(C(=N1)N)CN=CC2=CC=C(C=C2)Cl","JNVZAWDDMSGDQY-UHFFFAOYSA-N",272524,NA,"PDBC25673","116977","Present",NA,NA
+"25674","5-(((4-Isopropylbenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(((4-isopropylbenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmet...",NA,"CC(C)C1=CC=C(C=C1)COCC2=C3C=CC=NC3=C(C(=C2)CN4CCCC4)O","NNIPSBLMEGJOFO-UHFFFAOYSA-N",77108439,NA,"PDBC25674","782180","Present",NA,NA
+"25675","5-(((Aminocarbonyl)amino)methyl)-1-benzyl-1H-imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(((Aminocarbonyl)amino)methyl)-1-benzyl-1H-imidazole-4-carboxamide",NA,"C1=CC=C(C=C1)CN2C=NC(=C2CNC(=O)N)C(=O)N","GIBRDDKIQFMLPN-UHFFFAOYSA-N",362124,NA,"PDBC25675","625657","Present",NA,NA
+"25676","5-(((Tert-Butyl(dimethyl)silyl)oxy)(3,4-dimethoxy-2-(methoxymethoxy)phenyl)methyl)-1-methyl-2-(phenylthio)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-[[3,4-dimethoxy-2-(methoxymethoxy)phenyl]-(3-methyl-2-phenylsulfanylimidazol-4-yl)methoxy]-dimethylsilane",NA,"CC(C)(C)[Si](C)(C)OC(C1=C(C(=C(C=C1)OC)OC)OCOC)C2=CN=C(N2C)SC3=CC=CC=C3","UNLPTGJLOQDTPF-UHFFFAOYSA-N",385322,NA,"PDBC25676","676439","Present",NA,NA
+"25677","5-((2,3-Dimethyltetrahydro-2-furanyl)oxy)-3-methyl-2-pentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((2,3-Dimethyltetrahydro-2-furanyl)oxy)-3-methyl-2-pentanone",NA,"CC1CCOC1(C)OCCC(C)C(=O)C","OQTJPVDUVXPFKJ-UHFFFAOYSA-N",265148,NA,"PDBC25677","100972","Present",NA,NA
+"25678","5-((2,4,5-Trichlorophenoxy)methyl)-1,4-dioxane-2,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((2,4,5-Trichlorophenoxy)methyl)-1,4-dioxane-2,3-diol",NA,"C1C(OC(C(O1)O)O)COC2=CC(=C(C=C2Cl)Cl)Cl","JGIHPWVJUMJHHI-UHFFFAOYSA-N",366909,NA,"PDBC25678","635969","Present",NA,NA
+"25679","5-((2-((Diethylamino)methyl)-1-piperidinyl)acetyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[2-(Diethylaminomethyl)-1-piperidyl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CCN(CC)CC1CCCCN1CC(=O)N2CC(C(=O)NC3=CC=CC=C32)C","REKXQUNAUIKCRQ-UHFFFAOYSA-N",372556,NA,"PDBC25679","647773","Present",NA,NA
+"25680","5-((2-(2-(Diethylamino)ethyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[2-(2-Diethylaminoethyl)-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CCN(CC)CCC1CCCCN1CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C","DQEVNZYQFXFWEA-UHFFFAOYSA-N",379649,NA,"PDBC25680","664526","Present",NA,NA
+"25681","5-((2-(2-(Diethylamino)ethyl)-1-piperidinyl)acetyl)-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-[2-[2-(2-Diethylaminoethyl)-1-piperidyl]acetyl]-5H-benzo[b][1,4]benzodiazepin-6-one",NA,"CCN(CC)CCC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42","YCVQUIDTOAIVAE-UHFFFAOYSA-N",379652,NA,"PDBC25681","664530","Present",NA,NA
+"25682","5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((2-(Diethylamino)ethyl)amino)-10-methoxy-6H-imidazo[4,5,1-de]acridin-6-one",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C2=O)C=CC=C4OC","UOASRCCYMFZXGC-UHFFFAOYSA-N",378419,NA,"PDBC25682","660838","Present",NA,NA
+"25683","5-((2-(Diethylamino)ethyl)amino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((2-(Diethylamino)ethyl)amino)-7,10-dimethoxy-6H-imidazo[4,5,1-de]acridin-6-one",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=CN3C4=C(C=CC(=C4C2=O)OC)OC","GVUCPNKYHGBWCF-UHFFFAOYSA-N",378420,NA,"PDBC25683","660839","Present",NA,NA
+"25684","5-((2-Hydroxybenzylidene)amino)isophthalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2-hydroxybenzylene)amino]isophthalic acid",NA,"C1=CC=C(C(=C1)C=NC2=CC(=CC(=C2)C(=O)O)C(=O)O)O","FETRQNJXKFMYQL-UHFFFAOYSA-N",276327,NA,"PDBC25684","124029","Present",NA,NA
+"25685","5-((2-Oxocyclododecyl)methyl)-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((2-Oxocyclododecyl)methyl)-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,"C1CCCCCC(=O)C(CCCC1)CC2C(=O)NC(=O)NC2=O","BBNZOYBBTKTRQU-UHFFFAOYSA-N",373445,NA,"PDBC25685","649803","Present",NA,NA
+"25686","5-((2E)-3-Phenylprop-2-enylidene)-1,3-thiazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Thiazolidinedione, 5-(3-phenyl-2-propenylidene)-",NA,"C1=CC=C(C=C1)C=CC=C2C(=O)NC(=O)S2","XABHYXPBBJGVRA-DODKFZKMSA-N",1377751,NA,"PDBC25686","237538","Present",NA,NA
+"25687","5-((3,4-Diethyl-5-((3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl)-1H-pyrrol-2-yl)methyl)-4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[3,4-Diethyl-5-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-1H-pyrrol-2-yl]methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carbaldehyde",NA,"CCC1=C(NC(=C1C)C=O)CC2=C(C(=C(N2)CC3=C(C(=C(N3)C=O)C)CC)CC)CC","RONOMZLUTLYJTD-UHFFFAOYSA-N",374127,NA,"PDBC25687","651492","Present",NA,NA
+"25688","5-((3,4-Dimethoxy-2-(methoxymethoxy)phenyl)(methoxymethoxy)methyl)-1-methyl-2-(phenylthio)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[3,4-Dimethoxy-2-(methoxymethoxy)phenyl]-(methoxymethoxy)methyl]-1-methyl-2-phenylsulfanylimidazole",NA,"CN1C(=CN=C1SC2=CC=CC=C2)C(C3=C(C(=C(C=C3)OC)OC)OCOC)OCOC","JLXPFFHIOZTYEU-UHFFFAOYSA-N",385321,NA,"PDBC25688","676438","Present",NA,NA
+"25689","5-((3-(Diethylamino)propyl)amino)-7-ethoxy-4-methylpyrimido[4,5-b]quinolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((3-(Diethylamino)propyl)amino)-7-ethoxy-4-methylpyrimido[4,5-b]quinolin-2-ol",NA,"CCN(CC)CCCNC1=C2C=C(C=CC2=NC3=NC(=O)NC(=C13)C)OCC","UTHOHPWSHLQSLE-UHFFFAOYSA-N",386387,NA,"PDBC25689","678358","Present",NA,NA
+"25690","5-((4-((5-Methyl-1,3,4-thiadiazol-2-yl)sulfonyl)phenyl)diazenyl)-2,4,6-pyrimidinetriamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((4-((5-Methyl-1,3,4-thiadiazol-2-yl)sulfonyl)phenyl)diazenyl)-2,4,6-pyrimidinetriamine",NA,"CC1=NN=C(S1)S(=O)(=O)C2=CC=C(C=C2)N=NC3=C(N=C(N=C3N)N)N","UUGWDUKHKVTUGI-UHFFFAOYSA-N",270978,NA,"PDBC25690","114355","Present",NA,NA
+"25691","5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one",NA,"CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42","SRLMLQNXERJQPS-UHFFFAOYSA-N",372625,NA,"PDBC25691","648064","Present",NA,NA
+"25692","5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[4-[4-(Diethylamino)butyl]-1-piperidyl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CCN(CC)CCCCC1CCN(CC1)CC(=O)N2CC(C(=O)NC3=CC=CC=C32)C","JVGJXYDMHHAVDU-UHFFFAOYSA-N",372558,NA,"PDBC25692","647775","Present",NA,NA
+"25693","5-((4-(4-(Diethylamino)butyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[4-[4-(Diethylamino)butyl]-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C","DYRURHSQYPSIJP-UHFFFAOYSA-N",372552,NA,"PDBC25693","647769","Present",NA,NA
+"25694","5-((4-(4-(Dimethylamino)butyl)-1-piperidinyl)acetyl)-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[4-[4-(Dimethylamino)butyl]-1-piperidyl]acetyl]-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CC1CN(C2=CC=CC=C2NC1=O)C(=O)CN3CCC(CC3)CCCCN(C)C","XTGGWYJOYQHGMQ-UHFFFAOYSA-N",372557,NA,"PDBC25694","647774","Present",NA,NA
+"25695","5-((4-(4-(Dimethylamino)butyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[4-[4-(Dimethylamino)butyl]-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CC1CC(=O)NC2=CC=CC=C2N1C(=O)CN3CCC(CC3)CCCCN(C)C","IFPRSNVLTRNYCO-UHFFFAOYSA-N",372553,NA,"PDBC25695","647770","Present",NA,NA
+"25696","5-((4-Amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-N-(2,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-7-oxoheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-[(4-Amino-5-methyl-1,2,4-triazol-3-yl)hydrazinylidene]-N-(2,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-7-oxoheptanamide",NA,"CC1=NN=C(N1N)NN=C(CCCC(=O)NC2=C(C=CC(=C2)OC)OC)CC(=O)C3=CC(=C(C=C3)O)OC","IUICYQSRFRJRIK-STBIYBPSSA-N",9569987,NA,"PDBC25696","630315","Present",NA,NA
+"25697","5-((4-Chlorophenyl)sulfonyl)imidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((4-Chlorophenyl)sulfonyl)imidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-4-amine",NA,"C1=CC=C2C(=C1)N=C3C(=C(C4=NC=CN4C3=N2)N)S(=O)(=O)C5=CC=C(C=C5)Cl","RIRDAJLJBIAKDF-UHFFFAOYSA-N",375329,NA,"PDBC25697","654903","Present",NA,NA
+"25698","5-((5,6-Dimethoxy-2-naphthoyl)amino)-2-hydroxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((5,6-Dimethoxy-2-naphthoyl)amino)-2-hydroxybenzoic acid",NA,"COC1=C(C2=C(C=C1)C=C(C=C2)C(=O)NC3=CC(=C(C=C3)O)C(=O)O)OC","VEJNLXWVSVKGOU-UHFFFAOYSA-N",380862,NA,"PDBC25698","666602","Present",NA,NA
+"25699","5-((5-((5-Oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((5-((5-Oxo-2(5H)-furanylidene)amino)-1-naphthyl)imino)-2(5H)-furanone",NA,"C1=CC2=C(C=CC=C2N=C3C=CC(=O)O3)C(=C1)N=C4C=CC(=O)O4","OOXMVNZKTMFECF-UHFFFAOYSA-N",250321,NA,"PDBC25699","69575","Present",NA,NA
+"25700","5-((5-Bromo-2-thienyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((5-Bromo-2-thienyl)methylene)-3-phenyl-2-thioxo-4-imidazolidinone",NA,"C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)Br)NC2=S","GMLQASCYJNAIHE-FLIBITNWSA-N",5468924,NA,"PDBC25700","679237","Present",NA,NA
+"25701","5-((5-Methyl-3-thienyl)oxy)-2(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(1H)-Pyrimidinone, 5-[(5-methyl-3-thienyl)oxy]-",NA,"CC1=CC(=CS1)OC2=CNC(=O)N=C2","DRBJAKLMKNARRC-UHFFFAOYSA-N",124533,NA,"PDBC25701","610743","Present",NA,NA
+"25702","5-((7-Chloroquinolin-4-yl)amino)pentan-1-ol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((7-Chloroquinolin-4-yl)amino)pentan-1-ol hydrochloride",NA,"C1=CC2=C(C=CN=C2C=C1Cl)NCCCCCO.Cl","ORDHLEQWTZFJBC-UHFFFAOYSA-N",370996,NA,"PDBC25702","644814","Present",NA,NA
+"25703","5-((Acetylamino)methyl)-1-benzyl-1H-imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((Acetylamino)methyl)-1-benzyl-1H-imidazole-4-carboxamide",NA,"CC(=O)NCC1=C(N=CN1CC2=CC=CC=C2)C(=O)N","LYASSSSXPROOCK-UHFFFAOYSA-N",362123,NA,"PDBC25703","625656","Present",NA,NA
+"25704","5-((Aminocarbothioyl)hydrazono)-6-cyano-6-(4-(cyanomethyl)phenyl)-N-(3-(hydroxy(oxido)amino)phenyl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-(Carbamothioylhydrazinylidene)-6-cyano-6-[4-(cyanomethyl)phenyl]-N-(3-nitrophenyl)hexanamide",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=NNC(=S)N)C(C#N)C2=CC=C(C=C2)CC#N","OUZVIHFOWTXPSP-NHFJDJAPSA-N",6280086,NA,"PDBC25704","622386","Present",NA,NA
+"25705","5-((Benzylamino)methyl)-8-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Benzylamino)methyl]quinolin-8-ol",NA,"C1=CC=C(C=C1)CNCC2=C3C=CC=NC3=C(C=C2)O","CKFSZNNHRZDPJV-UHFFFAOYSA-N",279623,NA,"PDBC25705","130830","Present",NA,NA
+"25706","5-((Benzyloxy)methyl)-1,2,3-thiadiazole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Benzyloxy)methyl]-1,2,3-thiadiazole-4-carboxylic acid",NA,"C1=CC=C(C=C1)COCC2=C(N=NS2)C(=O)O","BQHIBHRQAIRGLL-UHFFFAOYSA-N",241416,NA,"PDBC25706","48747","Present",NA,NA
+"25707","5-((Benzyloxy)methyl)-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine-6,8(5H,7H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((Benzyloxy)methyl)-3,4-dihydro-2H-thiopyrano[2,3-c]pyridine-6,8(5H,7H)-dione",NA,"C1CC2=C(C(=O)NC(=O)C2COCC3=CC=CC=C3)SC1","SNVHGZHXWUFBIB-UHFFFAOYSA-N",385454,NA,"PDBC25707","676692","Present",NA,NA
+"25708","5-((Bis(methylamino)methyl)imino)-1,3,3,4-tetramethyl-1,4,2-diazaphospholidin-2-ol 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((Bis(methylamino)methyl)imino)-1,3,3,4-tetramethyl-1,4,2-diazaphospholidin-2-ol 2-oxide",NA,"CC1(N(C(=NC(NC)NC)N(P1(=O)O)C)C)C","HFUUVNATNQAXQK-XYOKQWHBSA-N",9556222,NA,"PDBC25708","676758","Present",NA,NA
+"25709","5-((Diethylamino)methyl)-3-(5-(hydroxy(oxido)amino)tetrahydro-2-furanyl)-1,2,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((Diethylamino)methyl)-3-(5-(hydroxy(oxido)amino)tetrahydro-2-furanyl)-1,2,4-oxadiazole",NA,"CCN(CC)CC1=NC(=NO1)C2CCC(O2)[N+](=O)[O-]","YMJOZLAVCMXZTE-UHFFFAOYSA-N",379972,NA,"PDBC25709","665279","Present",NA,NA
+"25710","5-((Dimethylamino)methyl)-2-imino-N-phenyl-1,3-oxazolidine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((Dimethylamino)methyl)-2-imino-N-phenyl-1,3-oxazolidine-3-carboxamide",NA,"CN(C)CC1CN(C(=N)O1)C(=O)NC2=CC=CC=C2","VSHLFRKIIIEGFW-UHFFFAOYSA-N",388214,NA,"PDBC25710","682808","Present",NA,NA
+"25711","5-((Hydrazinocarbothioyl)hydrazono)-7-oxo-7-phenyl-N-(2-phenylethyl)heptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((Hydrazinocarbothioyl)hydrazono)-7-oxo-7-phenyl-N-(2-phenylethyl)heptanamide",NA,"C1=CC=C(C=C1)CCNC(=O)CCCC(=NNC(=S)NN)CC(=O)C2=CC=CC=C2","ZHMHAQFXCNDGIY-LGUFXXKBSA-N",5911047,NA,"PDBC25711","630372","Present",NA,NA
+"25712","5-((Trityloxy)methyl)tetrahydro-2-furanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-Trityl-2,3-dideoxy-D-glyceropentafuranose",NA,"C1CC(OC1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O","QHBUYWDPCOLIBA-UHFFFAOYSA-N",355964,NA,"PDBC25712","610893","Present",NA,NA
+"25713","5-((p-(Dimethylamino)phenyl)azo)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[(4-dimethylamino)phenyl]azo]quinoline",NA,"CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2C=CC=N3","BXRFPVFMVQNKGL-UHFFFAOYSA-N",87103,NA,"PDBC25713","680467","Present",NA,NA
+"25714","5-(1'-Formyl-2'-hydroxy-3'-naphthoylamino)-2-benzimidazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Formyl-3-hydroxy-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)naphthalene-2-carboxamide",NA,"C1=CC=C2C(=C1)C=C(C(=C2C=O)O)C(=O)NC3=CC4=C(C=C3)NC(=O)N4","XIOIVLSJFCJVLX-UHFFFAOYSA-N",143274,NA,"PDBC25714","641051","Present",NA,NA
+"25715","5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(F)(F)F)(C(F)(F)F)F)CO)O","DNUPNICBYLLDJY-UHFFFAOYSA-N",373113,NA,"PDBC25715","649055","Present",NA,NA
+"25716","5-(1,1-Dichloromethyl)-3-(4-methylphenyl)-isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,1-dichloromethyl)-3-(4-methylphenyl)-isoxazole",NA,"CC1=CC=C(C=C1)C2=NOC(=C2)C(Cl)Cl","RIOWQGINBCHIBX-UHFFFAOYSA-N",405819,NA,"PDBC25716","723506","Present",NA,NA
+"25717","5-(1,2-Benzisothiazol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,2-Benzisothiazol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine",NA,"COC1=CC=C(C=C1)NC2=NN=C(S2)C3=NSC4=CC=CC=C43","VOMGKFAJFZVWKH-UHFFFAOYSA-N",374732,NA,"PDBC25717","652924","Present",NA,NA
+"25718","5-(1,2-Benzothiazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,2-Benzothiazol-3-yl)-N-ethyl-1,3,4-thiadiazol-2-amine",NA,"CCNC1=NN=C(S1)C2=NSC3=CC=CC=C32","BRQSNLIOBWCBLC-UHFFFAOYSA-N",374731,NA,"PDBC25718","652923","Present",NA,NA
+"25719","5-(1,2-Benzothiazol-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,2-Benzothiazol-3-yl)-N-phenyl-1,3,4-oxadiazol-2-amine",NA,"C1=CC=C(C=C1)NC2=NN=C(O2)C3=NSC4=CC=CC=C43","SCEVKGHJKDDONB-UHFFFAOYSA-N",374730,NA,"PDBC25719","652922","Present",NA,NA
+"25720","5-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-3,4-dichloro-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,2-Bis(4-methoxyphenyl)-2-oxoethyl)-3,4-dichloro-2(5H)-furanone",NA,"COC1=CC=C(C=C1)C(C2C(=C(C(=O)O2)Cl)Cl)C(=O)C3=CC=C(C=C3)OC","HGWIIMXIJIRELK-UHFFFAOYSA-N",366305,NA,"PDBC25720","634656","Present",NA,NA
+"25721","5-(1,2-Dihydroxyethyl)-6-hydroxytetrahydrofuro[2,3-d][1,3]oxazol-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,2-Dihydroxyethyl)-6-hydroxytetrahydrofuro[2,3-d][1,3]oxazol-2(3H)-one",NA,"C(C(C1C(C2C(O1)NC(=O)O2)O)O)O","CPBONPURCYQKHB-UHFFFAOYSA-N",374239,NA,"PDBC25721","651734","Present",NA,NA
+"25722","5-(1,2-Dihydroxyethyl)oxolane-2,3,4-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dehydroascorbic acid, l-",NA,"C(C(C1C(=O)C(=O)C(=O)O1)O)O","SBJKKFFYIZUCET-UHFFFAOYSA-N",835,NA,"PDBC25722","141520","Present",NA,NA
+"25723","5-(1,2-Dimethylindol-3-yl)-3-phenyl-1H-pyridazin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,2-Dimethyl-1H-indol-3-yl)-6-phenylpyridazin-3(2H)-one",NA,"CC1=C(C2=CC=CC=C2N1C)C3=CC(=NNC3=O)C4=CC=CC=C4","YHVYICAJQNMFBG-UHFFFAOYSA-N",362925,NA,"PDBC25723","627401","Present",NA,NA
+"25724","5-(1,3-Benzodioxol-5-yl)-10-hydroxy-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Benzodioxol-5-yl)-10-hydroxy-8,9,9a,10-tetrahydro-5H-[1,3]benzodioxolo[6,5-f]indolizin-7-one",NA,"C1CC(=O)N2C1C(C3=CC4=C(C=C3C2C5=CC6=C(C=C5)OCO6)OCO4)O","JOCDYUMUWHCJQD-UHFFFAOYSA-N",384203,NA,"PDBC25724","673608","Present",NA,NA
+"25725","5-(1,3-Benzodioxol-5-yl)-6H-isobenzofuro[6,5-f][1,3]benzodioxol-8-one; 5-(1,3-benzodioxol-5-yl)-8H-isobenzofuro[5,6-f][1,3]benzodioxol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxymethyl-6,7-(methylenedioxy)-1-[3,4-(methylenedi...",NA,"C1C2=C(C(=C3C=C4C(=CC3=C2)OCO4)C5=CC6=C(C=C5)OCO6)C(=O)O1.C1C2=C(C=C3C=C4C(=CC3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)O1","ALWPPAPXQHHWJJ-UHFFFAOYSA-N",363126,NA,"PDBC25725","627695","Present",NA,NA
+"25726","5-(1,3-Benzodioxol-5-yl)-8-methoxy-1,10a-dihydropyrrolo[1,2-b]isoquinoline-3,10(2H,5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Benzodioxol-5-yl)-8-methoxy-1,10a-dihydropyrrolo[1,2-b]isoquinoline-3,10(2H,5H)-dione",NA,"COC1=CC2=C(C=C1)C(N3C(C2=O)CCC3=O)C4=CC5=C(C=C4)OCO5","ANZVNOLRPPUMRK-UHFFFAOYSA-N",384206,NA,"PDBC25726","673611","Present",NA,NA
+"25727","5-(1,3-Benzodioxol-5-yl)-9,10-dihydroxy-7,8-dimethoxy-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Benzodioxol-5-yl)-9,10-dihydroxy-7,8-dimethoxy-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one",NA,"COC1=C(C(=C2C(C3CCC(=O)N3C(C2=C1)C4=CC5=C(C=C4)OCO5)O)O)OC","LBMHTQBMZVLESM-UHFFFAOYSA-N",384204,NA,"PDBC25727","673609","Present",NA,NA
+"25728","5-(1,3-Benzodioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Benzo[d][1,3]dioxol-5-yl)-N-(2,4-dimethylphenyl)-1,3,...",NA,"CC1=CC(=C(C=C1)NC2=NN=C(O2)C3=CC4=C(C=C3)OCO4)C","SWIUQBFXLZSMJW-UHFFFAOYSA-N",331715,NA,"PDBC25728","326182","Present",NA,NA
+"25729","5-(1,3-Benzodioxol-5-yl)isobenzofuro[5,6-f][1,3]benzodioxole-6,8-dione; ethyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Methylenedioxy-1-(3',4'-methylenedioxyphenyl)naphtha...",NA,"CCOC(=O)C.C1OC2=C(O1)C=C(C=C2)C3=C4C=C5C(=CC4=CC6=C3C(=O)OC6=O)OCO5","XTCGANMZSYTMSQ-UHFFFAOYSA-N",363129,NA,"PDBC25729","627696","Present",NA,NA
+"25730","5-(1,3-Benzodioxol-5-yl)isothiazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Benzodioxol-5-yl)isothiazole-3-thione",NA,"C1OC2=C(O1)C=C(C=C2)C3=CC(=S)NS3","QRJQDQCLOCDBTC-UHFFFAOYSA-N",3004965,NA,"PDBC25730","665735","Present",NA,NA
+"25731","5-(1,3-Benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-6-phenyl-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Benzothiazol-2-yl)-N-(2,6-dimethylphenyl)-6-phenyl-2-sulfanylidene-5,6-dihydro-1H-pyrimidine-4-carboxamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C2=NC(=S)NC(C2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5","SPWXIQKUXMNZHY-UHFFFAOYSA-N",3004026,NA,"PDBC25731","623039","Present",NA,NA
+"25732","5-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-4-((hydrazino(oxo)acetyl)hydrazono)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Benzothiazol-2-yl)-N-(4-chlorophenyl)-4-((hydrazino(oxo)acetyl)hydrazono)pentanamide",NA,"C1=CC=C2C(=C1)N=C(S2)CC(=NNC(=O)C(=O)NN)CCC(=O)NC3=CC=C(C=C3)Cl","JJVCUBLXFVLAPB-VULFUBBASA-N",9555802,NA,"PDBC25732","630365","Present",NA,NA
+"25733","5-(1,3-Benzothiazol-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Benzothiazol-2-ylamino)benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,"C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)NC5=NC6=CC=CC=C6S5","DXDHUGSNNBJGAM-UHFFFAOYSA-N",392515,NA,"PDBC25733","693032","Present",NA,NA
+"25734","5-(1,3-Benzoxazol-2-yl)-N-(3,4-dichlorophenyl)-4-oxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Benzoxazol-2-yl)-N-(3,4-dichlorophenyl)-4-oxopentanamide",NA,"C1=CC=C2C(=C1)N=C(O2)CC(=O)CCC(=O)NC3=CC(=C(C=C3)Cl)Cl","SFMCUIJTFWRWCQ-UHFFFAOYSA-N",364322,NA,"PDBC25734","630338","Present",NA,NA
+"25735","5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,10-dimethyl-8-methylsulfanyl-4-phenyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,10-dimethyl-8-methylsulfanyl-4-phenyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one",NA,"CC1CC(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C4=CC=CC=C4)C)SC","CTLBQYQHXIFCLR-UHFFFAOYSA-N",24205325,NA,"PDBC25735","735042","Present",NA,NA
+"25736","5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,4,10-trimethyl-8-methylsulfanyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Dihydroxypropan-2-yloxymethyl)-3,4,10-trimethyl-8-methylsulfanyl-5,7,9,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),2(6),3,7-tetraen-12-one",NA,"CC1CC(=O)N=C2N1C(=NC3=C2C(=C(N3COC(CO)CO)C)C)SC","SKEXALPDIHSTOG-UHFFFAOYSA-N",24205326,NA,"PDBC25736","735043","Present",NA,NA
+"25737","5-(1,3-Dioxan-2-yl)-1,2,3-benzenetriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Dioxan-2-yl)-1,2,3-benzenetriol",NA,"C1COC(OC1)C2=CC(=C(C(=C2)O)O)O","FSLARYUEPYDFBP-UHFFFAOYSA-N",372298,NA,"PDBC25737","647357","Present",NA,NA
+"25738","5-(1,3-Dithian-2-yl)-6-iodo-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1,3-Dithian-2-yl)-6-iodo-1,3-benzodioxole",NA,"C1CSC(SC1)C2=CC3=C(C=C2I)OCO3","DWDQPRSTYAEEQC-UHFFFAOYSA-N",372295,NA,"PDBC25738","647354","Present",NA,NA
+"25739","5-(1,4-Benzoquinonyl)-3-(4-chlorophenyl)-1-phenylpyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Chlorophenyl)-2-phenylpyrazol-3-yl]cyclohexa-2,5-diene-1,4-dione",NA,"C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=CC(=O)C=CC4=O","FJCHXZKOVMDORK-UHFFFAOYSA-N",24204412,NA,"PDBC25739","731747","Present",NA,NA
+"25740","5-(1-(2-Furyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-(2-Furyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone",NA,"C1=CC=C(C=C1)CC(C2C(=O)NC(=S)N2)C3=CC=CO3","GTSZNJCTZLYPHD-UHFFFAOYSA-N",3005234,NA,"PDBC25740","684389","Present",NA,NA
+"25741","5-(1-(4-(Dimethylamino)phenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-(4-(Dimethylamino)phenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone",NA,"CN(C)C1=CC=C(C=C1)C(CC2=CC=CC=C2)C3C(=O)NC(=S)N3","QYIJHYMUTGAMGF-UHFFFAOYSA-N",3005233,NA,"PDBC25741","684388","Present",NA,NA
+"25742","5-(1-(4-Ethoxyphenyl)ethyl)-6-methoxy-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzodioxole, 5-[1-(4-ethoxyphenyl)ethyl]-6-methoxy-",NA,"CCOC1=CC=C(C=C1)C(C)C2=CC3=C(C=C2OC)OCO3","HEPVVPUNSAKITO-UHFFFAOYSA-N",337030,NA,"PDBC25742","353648","Present",NA,NA
+"25743","5-(1-(4-Methoxyphenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-(4-Methoxyphenyl)-2-phenylethyl)-2-thioxo-4-imidazolidinone",NA,"COC1=CC=C(C=C1)C(CC2=CC=CC=C2)C3C(=O)NC(=S)N3","IWXWJOMNNDVWMS-UHFFFAOYSA-N",3005231,NA,"PDBC25743","684386","Present",NA,NA
+"25744","5-(1-(4-Methoxyphenyl)propyl)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-(4-Methoxyphenyl)propyl)-2-thioxo-4-imidazolidinone",NA,"CCC(C1C(=O)NC(=S)N1)C2=CC=C(C=C2)OC","TWIPZXCPRZBRFP-UHFFFAOYSA-N",3005230,NA,"PDBC25744","684385","Present",NA,NA
+"25745","5-(1-(5-(1-(5-Formyl-2-furyl)-1-methylethyl)-2-furyl)-1-methylethyl)-2-furaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-(5-(1-(5-Formyl-2-furyl)-1-methylethyl)-2-furyl)-1-methylethyl)-2-furaldehyde",NA,"CC(C)(C1=CC=C(O1)C=O)C2=CC=C(O2)C(C)(C)C3=CC=C(O3)C=O","PDHONJAMSMZDIB-UHFFFAOYSA-N",361833,NA,"PDBC25745","625149","Present",NA,NA
+"25746","5-(1-Adamantyl)-2-(2-chlorophenyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Adamantyl)-2-(2-chlorophenyl)-1H-benzimidazole",NA,"C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)C6=CC=CC=C6Cl","FZJWQYMWEVJTFT-UHFFFAOYSA-N",394402,NA,"PDBC25746","697861","Present",NA,NA
+"25747","5-(1-Adamantyl)-2-(4-chlorophenyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Adamantyl)-2-(4-chlorophenyl)-1H-benzimidazole",NA,"C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)Cl","QXFPTCDQUPDGJJ-UHFFFAOYSA-N",394403,NA,"PDBC25747","697862","Present",NA,NA
+"25748","5-(1-Adamantyl)-2-benzyloxy-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Adamantyl)-2-benzyloxy-1H-benzimidazole",NA,"C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N=C(N5)OCC6=CC=CC=C6","HGOSHFAUMBCDIS-UHFFFAOYSA-N",394400,NA,"PDBC25748","697859","Present",NA,NA
+"25749","5-(1-Azido-2,2-dibromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Azido-2,2-dibromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(Br)Br)N=[N+]=[N-])CO)O","ZDTHJCBYWMUMPA-UHFFFAOYSA-N",374120,NA,"PDBC25749","651427","Present",NA,NA
+"25750","5-(1-Azido-2,2-diiodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Azido-2,2-diiodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(I)I)N=[N+]=[N-])CO)O","YNXCCBOIZIMKBZ-UHFFFAOYSA-N",374122,NA,"PDBC25750","651429","Present",NA,NA
+"25751","5-(1-Azido-2-bromo-2-chloroethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Azido-2-bromo-2-chloroethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(Cl)Br)N=[N+]=[N-])CO)O","OICPZMOAZDBOLS-UHFFFAOYSA-N",374121,NA,"PDBC25751","651428","Present",NA,NA
+"25752","5-(1-Azido-2-bromo-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Azido-2-bromo-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(Br)I)N=[N+]=[N-])CO)O","BSHDUPPRNKBILB-UHFFFAOYSA-N",374119,NA,"PDBC25752","651426","Present",NA,NA
+"25753","5-(1-Azido-2-bromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Azido-2-bromoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(CBr)N=[N+]=[N-])CO)O","MFDQNNLJVBCWOC-UHFFFAOYSA-N",374114,NA,"PDBC25753","651422","Present",NA,NA
+"25754","5-(1-Azido-2-chloro-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Azido-2-chloro-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(C(Cl)I)N=[N+]=[N-])CO)O","NEMBLEBEGMGMST-UHFFFAOYSA-N",376366,NA,"PDBC25754","657268","Present",NA,NA
+"25755","5-(1-Azido-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Azido-2-iodoethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(CI)N=[N+]=[N-])CO)O","PVPPTIPJUGDMDY-UHFFFAOYSA-N",374116,NA,"PDBC25755","651424","Present",NA,NA
+"25756","5-(1-Azidoethenyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Azidoethenyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C=C(C1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-]","JJENJWOMXGJIOD-UHFFFAOYSA-N",3800000,NA,"PDBC25756","651425","Present",NA,NA
+"25757","5-(1-Benzylsulfanyl-2-nitro-ethyl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-(Benzylsulfanyl)-2-nitroethyl]-1,3-benzodioxole",NA,"C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SCC3=CC=CC=C3","SEQGYDSVNJWFHM-UHFFFAOYSA-N",379577,NA,"PDBC25757","664266","Present",NA,NA
+"25758","5-(1-Bromo-2-methoxyvinyl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Bromo-2-methoxyvinyl)-1,3-benzodioxole",NA,"COC=C(C1=CC2=C(C=C1)OCO2)Br","VKEIFEPEERUBQT-YVMONPNESA-N",3003992,NA,"PDBC25758","617647","Present",NA,NA
+"25759","5-(1-Chloro-2-phenylvinyl)-6-(hydroxy(oxido)amino)-2-phenyl-1H-indol-3-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Chloro-2-phenylvinyl)-6-(hydroxy(oxido)amino)-2-phenyl-1H-indol-3-yl acetate",NA,"CC(=O)OC1=C(NC2=CC(=C(C=C21)C(=CC3=CC=CC=C3)Cl)[N+](=O)[O-])C4=CC=CC=C4","FHXDZLTVLKUBSO-NDENLUEZSA-N",5814149,NA,"PDBC25759","636508","Present",NA,NA
+"25760","5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Methyl-2-(3,4,5-trimethoxyphenyl)vinyl)-1,3-benzodioxole",NA,"CC(=CC1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2)OCO3","FLGKKJLARNSJNB-KPKJPENVSA-N",5351406,NA,"PDBC25760","648422","Present",NA,NA
+"25761","5-(1-Piperidinyl)-3H-1,2,4-dithiazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Piperidinyl)-3H-1,2,4-dithiazole-3-thione",NA,"C1CCN(CC1)C2=NC(=S)SS2","NLBWZAQXNUOUOW-UHFFFAOYSA-N",360516,NA,"PDBC25761","622652","Present",NA,NA
+"25762","5-(13,24,25-Trihydroxy-1-methoxy-5,9,23-trimethyl-2,20,22-trioxahexacyclo[19.3.1.03,19.05,17.06,14.09,13]pentacos-17-en-10-yl)pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(13,24,25-Trihydroxy-1-methoxy-5,9,23-trimethyl-2,20,22-trioxahexacyclo[19.3.1.03,19.05,17.06,14.09,13]pentacos-17-en-10-yl)pyran-2-one",NA,"CC1C(C2(C(C(O1)OC3C=C4CCC5C(C4(CC3O2)C)CCC6(C5(CCC6C7=COC(=O)C=C7)O)C)O)OC)O","MPNWICWZBYJUOX-UHFFFAOYSA-N",401678,NA,"PDBC25762","715408","Present",NA,NA
+"25763","5-(13-(3-Furyl)-2,6,10-trimethyl-6,8-tridecadienylidene)-4-hydroxy-3-methyl-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(13-(3-Furyl)-2,6,10-trimethyl-6,8-tridecadienylidene)-4-hydroxy-3-methyl-2(5H)-furanone",NA,"CC1=C(C(=CC(C)CCCC(=CC=CC(C)CCCC2=COC=C2)C)OC1=O)O","HSRYYQFDLALWMZ-NGBZOJJOSA-N",54679364,NA,"PDBC25763","625519","Present",NA,NA
+"25764","5-(1H-Benzimidazol-2-yl)-4-[(E)-benzylideneamino]-3-phenyl-thiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1H-Benzimidazol-2-yl)-4-[(E)-benzylideneamino]-3-phenyl-thiazol-2-one",NA,"C1=CC=C(C=C1)C=NC2=C(SC(=O)N2C3=CC=CC=C3)C4=NC5=CC=CC=C5N4","BEMABGSRTGXYOF-BUVRLJJBSA-N",9555816,NA,"PDBC25764","633190","Present",NA,NA
+"25765","5-(1H-Indol-3-yl)-3-methoxypyrazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1H-Indol-3-yl)-3-methoxypyrazin-2-amine",NA,"COC1=NC(=CN=C1N)C2=CNC3=CC=CC=C32","AKALEHWIDXYJAD-UHFFFAOYSA-N",400421,NA,"PDBC25765","712000","Present",NA,NA
+"25766","5-(1H-Indol-3-ylmethylene)-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1H-Indol-3-ylmethylene)-2-morpholin-4-yl-thiazol-4-one",NA,"C1COCCN1C2=NC(=C(S2)C=C3C=NC4=CC=CC=C43)O","HHIJYVVJFOFKCD-PKNBQFBNSA-N",135432751,NA,"PDBC25766","735177","Present",NA,NA
+"25767","5-(1H-Indol-5-ylmethyl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(5-indolyl)methane",NA,"C1=CC2=C(C=CN2)C=C1CC3=CC4=C(C=C3)NC=C4","LCLLKZHSCXZJDQ-UHFFFAOYSA-N",389556,NA,"PDBC25767","685861","Present",NA,NA
+"25768","5-(2'-Chloro[1,1'-biphenyl]-4-yl)-5-hydroxy-3-methyl-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2'-Chloro[1,1'-biphenyl]-4-yl)-5-hydroxy-3-methyl-2(5H)-furanone",NA,"CC1=CC(OC1=O)(C2=CC=C(C=C2)C3=CC=CC=C3Cl)O","FSAOEXNRJZJMPP-UHFFFAOYSA-N",361926,NA,"PDBC25768","625400","Present",NA,NA
+"25769","5-(2'-Chloroethyl)aminouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH840693",NA,"C1=C(C(=O)NC(=O)N1)NCCCl","WEGIIMNVVVHGKX-UHFFFAOYSA-N",236633,NA,"PDBC25769","39277","Present",NA,NA
+"25770","5-(2,2,3,3,4,4,5,5-Octafluoropentoxymethyl)-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-{[(2,2,3,3,4,4,5,5-Octafluoropentyl)oxy]methyl}pyrimidine-2,4(1H,3H)-dione",NA,"C1=C(C(=O)NC(=O)N1)COCC(C(C(C(F)F)(F)F)(F)F)(F)F","UQJFGWLQJKAQTM-UHFFFAOYSA-N",373196,NA,"PDBC25770","649163","Present",NA,NA
+"25771","5-(2,2-Diacetylvinyl)-1,3-dimethyluracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,2-Diacetylvinyl)-1,3-dimethyluracil",NA,"CC(=O)C(=CC1=CN(C(=O)N(C1=O)C)C)C(=O)C","YHCFAKPDEBMDIZ-UHFFFAOYSA-N",337115,NA,"PDBC25771","353882","Present",NA,NA
+"25772","5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-olate;ethanolate;1-phenylbutane-1,3-dione;titanium(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethoxy(1,2:5,6-di-O-isopropylidene-3-olato-.alpha.-D- gl...",NA,"CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)[O-])C.[Ti+4]","SDRJFUQLCWRXLM-UHFFFAOYSA-N",368334,NA,"PDBC25772","639099","Present",NA,NA
+"25773","5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-6-[(E)-prop-1-enoxy]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-6-propenyloxy-tetrahydro-furo[2,3-d][1,3]dioxole",NA,"CC=COC1C(OC2C1OC(O2)(C)C)C3COC(O3)(C)C","RSCYQPRGEVQBEZ-VOTSOKGWSA-N",6392479,NA,"PDBC25773","670541","Present",NA,NA
+"25774","5-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,2-Dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-N-[3-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide",NA,"CC1(OC(=O)C(=C2CCC(N2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)C(=O)O1)C","JCXGLRZMQLDQNS-UHFFFAOYSA-N",366815,NA,"PDBC25774","635587","Present",NA,NA
+"25775","5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-6-phenyl-tetrahydro-furo[2,3-d][1,3]dioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,2-Dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-6-phenyl-tetrahydro-furo[2,3-d][1,3]dioxole",NA,"CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)C4=CC=CC=C4)C","UJSIRMJMPVXSDV-UHFFFAOYSA-N",383338,NA,"PDBC25775","671452","Present",NA,NA
+"25776","5-(2,3-Bis(4-methoxyphenyl)-3-oxopropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,3-Bis(4-methoxyphenyl)-3-oxopropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,"COC1=CC=C(C=C1)C(CC2C(=O)NC(=O)NC2=O)C(=O)C3=CC=C(C=C3)OC","NSAFTZIBCBPRTA-UHFFFAOYSA-N",372149,NA,"PDBC25776","647103","Present",NA,NA
+"25777","5-(2,3-Dihydroxypropoxymethyl)-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2,3-Dihydroxypropoxy)methyl]pyrimidine-2,4(1H,3H)-dione",NA,"C1=C(C(=O)NC(=O)N1)COCC(CO)O","FOWIRBAZMZQDIG-UHFFFAOYSA-N",373124,NA,"PDBC25777","649066","Present",NA,NA
+"25778","5-(2,3-Dimethoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3-Dimethoxyphenyl)-4-methyl-4-azabicyclo[3.3.1]nonan-7-ol",NA,"CN1CCC2(CC1CC(C2)O)C3=C(C(=CC=C3)OC)OC","ZBYQTHSAVDOACD-UHFFFAOYSA-N",398121,NA,"PDBC25778","707487","Present",NA,NA
+"25779","5-(2,4,6,8,10,13-Hexathiatricyclo[7.4.0.03,7]trideca-1(9),3(7)-dien-5-ylidene)-2,4,6,8,10,13-hexathiatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4,6,8,10,13-Hexathiatricyclo[7.4.0.03,7]trideca-1(9),3(7)-dien-5-ylidene)-2,4,6,8,10,13-hexathiatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene",NA,"C1CSC2=C(S1)SC3=C(S2)SC(=C4SC5=C(S4)SC6=C(S5)SCCS6)S3","IPPJORCEGIXTSZ-UHFFFAOYSA-N",391120,NA,"PDBC25779","689738","Present",NA,NA
+"25780","5-(2,4-Cyclohexadien-1-yl)-5-hydroxy-1-methyl-2-pyrrolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Cyclohexadien-1-yl)-5-hydroxy-1-methyl-2-pyrrolidinone",NA,"CN1C(=O)CCC1(C2CC=CC=C2)O","IHAXSYUOUCADJF-UHFFFAOYSA-N",371724,NA,"PDBC25780","646173","Present",NA,NA
+"25781","5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-1,2-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)isoxazole",NA,"COC1=C(C=C(C=C1)C2=NOC(=C2)C3=CC(=C(C=C3Cl)Cl)F)OC","ZKXBBZOZJMSBOR-UHFFFAOYSA-N",402002,NA,"PDBC25781","715691","Present",NA,NA
+"25782","5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-1H-pyrazole",NA,"COC1=C(C=C(C=C1)C2=NNC(=C2)C3=CC(=C(C=C3Cl)Cl)F)OC","UKCMKBGZPFDRIA-UHFFFAOYSA-N",402000,NA,"PDBC25782","715689","Present",NA,NA
+"25783","5-(2,4-Dichloro-5-fluorophenyl)-3-phenyl-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Dichloro-5-fluorophenyl)-3-phenyl-1H-pyrazole",NA,"C1=CC=C(C=C1)C2=NNC(=C2)C3=CC(=C(C=C3Cl)Cl)F","CXBOFRUFCSVWMB-UHFFFAOYSA-N",401999,NA,"PDBC25783","715688","Present",NA,NA
+"25784","5-(2,4-Dichloro-5-fluorophenyl)-3-phenylisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Dichloro-5-fluorophenyl)-3-phenylisoxazole",NA,"C1=CC=C(C=C1)C2=NOC(=C2)C3=CC(=C(C=C3Cl)Cl)F","DXMLXNFZLQHYHJ-UHFFFAOYSA-N",402007,NA,"PDBC25784","715696","Present",NA,NA
+"25785","5-(2,4-Dichlorophenyl)-2-(3-nitrophenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Dichlorophenyl)-2-(3-nitrophenyl)-1H-imidazole",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC=C(N2)C3=C(C=C(C=C3)Cl)Cl","MIZLBPXRDLLWGP-UHFFFAOYSA-N",45029219,NA,"PDBC25785","745618","Present",NA,NA
+"25786","5-(2,4-Dichlorophenyl)-5H-imidazo[2,1-a]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Imidazo[2,1-a]isoindole, 5-(2,4-dichlorophenyl)-",NA,"C1=CC=C2C(=C1)C(N3C2=NC=C3)C4=C(C=C(C=C4)Cl)Cl","MTRDZTOQPONGGS-UHFFFAOYSA-N",12908673,NA,"PDBC25786","742550","Present",NA,NA
+"25787","5-(2,4-Diethyl-6-((6-methyl-1,3-benzothiazol-2-yl)amino)-3,5-dioxo-6-heptenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2,4-Diethyl-6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3,5-dioxohept-6-enyl]-1,3-diazinane-2,4,6-trione",NA,"CCC(CC1C(=O)NC(=O)NC1=O)C(=O)C(CC)C(=O)C(=C)NC2=NC3=C(S2)C=C(C=C3)C","JKAPMYLROVCVBF-UHFFFAOYSA-N",373478,NA,"PDBC25787","649833","Present",NA,NA
+"25788","5-(2,4-Dimethoxy-5-pyrimidinyl)-1-penten-4-yn-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Dimethoxy-5-pyrimidinyl)-1-penten-4-yn-3-ol",NA,"COC1=NC(=NC=C1C#CC(C=C)O)OC","DZBXBBJATGTWHR-UHFFFAOYSA-N",387187,NA,"PDBC25788","680727","Present",NA,NA
+"25789","5-(2,4-Dimethoxy-5-pyrimidinyl)-1-penten-4-yn-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Penten-4-yn-3-one, 5-(2,4-dimethoxypyrimidin-5-yl)-",NA,"COC1=NC(=NC=C1C#CC(=O)C=C)OC","MPVPQMUPIYEGQL-UHFFFAOYSA-N",387188,NA,"PDBC25789","680728","Present",NA,NA
+"25790","5-(2,4-Dioxopyrimidin-1-yl)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Dioxopyrimidin-1-yl)pentanoic acid",NA,"C1=CN(C(=O)NC1=O)CCCCC(=O)O","DWWSFKHIIGUHSM-UHFFFAOYSA-N",256688,NA,"PDBC25790","83960","Present",NA,NA
+"25791","5-(2,5-Dihydroxyphenyl)-1,3-diphenylpyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2,5-Diphenylpyrazol-3-yl)benzene-1,4-diol",NA,"C1=CC=C(C=C1)C2=NN(C(=C2)C3=C(C=CC(=C3)O)O)C4=CC=CC=C4","SFVJVESRMFNPEG-UHFFFAOYSA-N",135585506,NA,"PDBC25791","731809","Present",NA,NA
+"25792","5-(2,5-Dimethoxy-phenylethynyl)-N-[2-(4-fluoro-phenyl)-ethyl]-2-methoxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(2,5-Dimethoxyphenyl)ethynyl]-2-methoxyphenyl-N- [2...",NA,"COC1=CC(=C(C=C1)OC)C#CC2=CC(=C(C=C2)OC)C(=O)NCCC3=CC=C(C=C3)F","CUCVNURZABUGNU-UHFFFAOYSA-N",403660,NA,"PDBC25792","718728","Present",NA,NA
+"25793","5-(2,5-Dimethoxy-phenylethynyl)-N-hexyl-2-methoxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(2,5-Dimethoxyphenyl)ethynyl]-2-methoxyphenyl-N-hex...",NA,"CCCCCCNC(=O)C1=C(C=CC(=C1)C#CC2=C(C=CC(=C2)OC)OC)OC","DXQMNKPAGXVWAH-UHFFFAOYSA-N",403659,NA,"PDBC25793","718727","Present",NA,NA
+"25794","5-(2,5-Dimethoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,5-Dimethoxyphenyl)-4-methyl-4-azabicyclo[3.3.1]nonane",NA,"CN1CCC2(CCCC1C2)C3=C(C=CC(=C3)OC)OC","PMALGPVDOFUZCE-UHFFFAOYSA-N",398852,NA,"PDBC25794","709004","Present",NA,NA
+"25795","5-(2,5-Ditert-butylphenyl)-3-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,5-Di-tert-butylphenyl)-3-(4-nitrophenyl)-3ah-pyrrolo[3,4-d]isoxazole-4,6(5h,6ah)-dione",NA,"CC(C)(C)C1=CC(=C(C=C1)C(C)(C)C)N2C(=O)C3C(C2=O)ON=C3C4=CC=C(C=C4)[N+](=O)[O-]","FHGZDMHXJUYMNN-UHFFFAOYSA-N",401158,NA,"PDBC25795","714126","Present",NA,NA
+"25796","5-(2,5-dihydroxybenzylamino)-N-butyl-2-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,5-dihydroxybenzylamino)-N-butyl-2-hydroxybenzamide",NA,"CCCCNC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)O)O)O","YKPQHYRJQNJFCP-UHFFFAOYSA-N",155815558,NA,"PDBC25796","798524","Present",NA,NA
+"25797","5-(2,6-Bis((cyanoacetyl)hydrazono)cyclohexyl)-N-(2,6-dimethylphenyl)-5-oxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,6-Bis((cyanoacetyl)hydrazono)cyclohexyl)-N-(2,6-dimethylphenyl)-5-oxopentanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C2C(=NNC(=O)CC#N)CCCC2=NNC(=O)CC#N","SPVDQSRMLAUIMX-ZZASANORSA-N",9569940,NA,"PDBC25797","625905","Present",NA,NA
+"25798","5-(2,6-Trimethylphenyl)-2-N-(4-chlorophenyl)sulfonylimino-1,3,4-dioxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4,6-Trimethylphenyl)-2-N-(4-chlorophenyl)sulfonylim...",NA,"CC1=CC(=C(C(=C1)C)C2=NOC(=NS(=O)(=O)C3=CC=C(C=C3)Cl)O2)C","QKGVTQZYBJUROA-JZJYNLBNSA-N",6300503,NA,"PDBC25798","664237","Present",NA,NA
+"25799","5-(2-((5-((2-((5-Hydroxypentyl)oxy)ethoxy)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)ethoxy)-1-pentanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-((5-((2-((5-Hydroxypentyl)oxy)ethoxy)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)ethoxy)-1-pentanol",NA,"CC1(OC(C(O1)COCCOCCCCCO)COCCOCCCCCO)C","UQEOWJUGWFWUHU-UHFFFAOYSA-N",362088,NA,"PDBC25799","625611","Present",NA,NA
+"25800","5-(2-(3,4-Dichlorophenyl)vinyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-(3,4-Dichlorophenyl)vinyl)-1,2-dihydro-3H-1,2,4-triazole-3-thione",NA,"C1=CC(=C(C=C1C=CC2=NC(=S)NN2)Cl)Cl","PKUYZOUOVQFRAP-DUXPYHPUSA-N",5388283,NA,"PDBC25800","634496","Present",NA,NA
+"25801","5-(2-(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-dithian-2-yl)-2-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-1-isoquinolinyl)-1,3-dithian-2-yl)-2-methoxyphenol",NA,"CN1CCC2=CC(=C(C=C2C1C3(SCCCS3)C4=CC(=C(C=C4)OC)O)OC)OC","QYICIXLISYZRKO-UHFFFAOYSA-N",388279,NA,"PDBC25801","682920","Present",NA,NA
+"25802","5-(2-(Benzyloxy)-2-methylpropyl)-5-methyl-2,4-imidazolidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(Benzyloxy)-2-methylpropyl]-5-methylimidazolidine-2,4-dione",NA,"CC1(C(=O)NC(=O)N1)CC(C)(C)OCC2=CC=CC=C2","BQZHIDOEJWGMOX-UHFFFAOYSA-N",239211,NA,"PDBC25802","44102","Present",NA,NA
+"25803","5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-3-oxo-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,"CCN(CC)C(=O)CC1=C(C(=O)NN1)C(=O)N(CC)CC","NJPDYDRNQOFFTM-UHFFFAOYSA-N",375436,NA,"PDBC25803","655159","Present",NA,NA
+"25804","5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-(Diethylamino)-2-oxoethyl)-N,N-diethyl-7-oxo-7H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide",NA,"CCN(CC)C(=O)CC1=C(C(=O)N=C2N1C=CS2)C(=O)N(CC)CC","YLDAWHFBNYSRQO-UHFFFAOYSA-N",375437,NA,"PDBC25804","655160","Present",NA,NA
+"25805","5-(2-(Diethylamino)ethylamino)-8-hydroxy-6H-(1,2,3)triazolo(4,5-1-de)acridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-[1,2,3]tria...",NA,"CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O","OMSFZBMJHQNEQZ-UHFFFAOYSA-N",124496,NA,"PDBC25805","645827","Present",NA,NA
+"25806","5-(2-(Dimethylamino)ethyl)-2,3,9-trimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-(dimethylamino)ethyl)-2,3,9-trimethoxy-5H-indeno[1,...",NA,"CN(C)CCOC1=NC2=CC(=C(C=C2C3=C1C4=C(C3=O)C=C(C=C4)OC)OC)OC","NVPBUUVWQREGKX-UHFFFAOYSA-N",54673459,NA,"PDBC25806","754239","Present",NA,NA
+"25807","5-(2-(Dimethylamino)ethyl)-2,8-dimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-(dimethylamino)ethyl)-2,8-dimethoxy-5H-indeno[1,2-c...",NA,"CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C(C1=O)C4=C(C3=O)C=CC(=C4)OC","PAHNDAPGNCVOAR-UHFFFAOYSA-N",54673147,NA,"PDBC25807","754245","Present",NA,NA
+"25808","5-(2-(Methylsulfonyl)ethyl)dihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-(Methylsulfonyl)ethyl)dihydro-2(3H)-furanone",NA,"CS(=O)(=O)CCC1CCC(=O)O1","JFRLEINDXGJNJV-UHFFFAOYSA-N",386106,NA,"PDBC25808","677738","Present",NA,NA
+"25809","5-(2-Aminoethyl)-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Aminoethyl)-5-isopentyl-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,"CC(C)CCC1(C(=O)NC(=O)NC1=O)CCN","QITQHIYPIHVKLD-UHFFFAOYSA-N",257293,NA,"PDBC25809","85260","Present",NA,NA
+"25810","5-(2-Aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine",NA,"CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)C3=CC=CC=C3N","YNZJNMUULMRBBL-UHFFFAOYSA-N",402292,NA,"PDBC25810","716183","Present",NA,NA
+"25811","5-(2-Anilino-6-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Anilino-6-chloro-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol",NA,"C1C(C(OC1N2C=NC3=C2N=C(N=C3Cl)NC4=CC=CC=C4)CO)O","QQKAMIXYEHKSKX-UHFFFAOYSA-N",388061,NA,"PDBC25811","682522","Present",NA,NA
+"25812","5-(2-Azidoacetyl)-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Azidoacetyl)-1H-pyrimidine-2,4-dione",NA,"C1=C(C(=O)NC(=O)N1)C(=O)CN=[N+]=[N-]","QWGHGQJMUGAQJR-UHFFFAOYSA-N",3246134,NA,"PDBC25812","36878","Present",NA,NA
+"25813","5-(2-Bromo-4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-bromo-4-methoxyphenyl)-7-(3,4-dimethoxyphenyl)-5H-t...",NA,"COC1=CC(=C(C=C1)C2C=C(N=C3N2C=CS3)C4=CC(=C(C=C4)OC)OC)Br","DEICCPLCPYFPPX-UHFFFAOYSA-N",155809858,NA,"PDBC25813","765955","Present",NA,NA
+"25814","5-(2-Bromo-4-methoxyphenyl)-7-(4-chlorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-bromo-4-methoxyphenyl)-7-(4-chlorophenyl)-3-methyl-...",NA,"CC1=CSC2=NC(=CC(N12)C3=C(C=C(C=C3)OC)Br)C4=CC=C(C=C4)Cl","JKPPOJVNEGXREJ-UHFFFAOYSA-N",155810090,NA,"PDBC25814","766172","Present",NA,NA
+"25815","5-(2-Bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-bromo-4-methoxyphenyl)-7-(4-methoxyphenyl)-5H-thiaz...",NA,"COC1=CC=C(C=C1)C2=CC(N3C=CSC3=N2)C4=C(C=C(C=C4)OC)Br","SXHQRXJRRZRUAR-UHFFFAOYSA-N",155808080,NA,"PDBC25815","765954","Present",NA,NA
+"25816","5-(2-Bromo-5-methoxyphenyl)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Bromo-5-methoxyphenyl)pentanoic acid",NA,"COC1=CC(=C(C=C1)Br)CCCCC(=O)O","ISBGKQVMDQZSCM-UHFFFAOYSA-N",361588,NA,"PDBC25816","624769","Present",NA,NA
+"25817","5-(2-Bromophenyl)-13-nitro-4-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,11,13-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Bromophenyl)-13-nitro-4-phenyl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,11,13-tetraene",NA,"C1CC2C(N(N=C2C3=C(C1)C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)C5=CC=CC=C5Br","XJCLRQALYIQTDK-UHFFFAOYSA-N",403244,NA,"PDBC25817","717903","Present",NA,NA
+"25818","5-(2-Bromophenyl)-7,7-bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Bromophenyl)-7,7-bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,"CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=CC=C3Br)C(=O)N(C1=O)C","ZGDYQDGKMDEEJF-UHFFFAOYSA-N",395444,NA,"PDBC25818","699989","Present",NA,NA
+"25819","5-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)-4-indanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)-4-indanecarboxylic acid",NA,"C1CC2=C(C1)C=C(C=C2)CC(CC3=C(C4=C(CCC4)C=C3)C(=O)O)C(=O)O","GGQQTWKCZLHUPJ-UHFFFAOYSA-N",385636,NA,"PDBC25819","676983","Present",NA,NA
+"25820","5-(2-Carboxy-3-phenylpropyl)-4-indanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Carboxy-3-phenylpropyl)-4-indanecarboxylic acid",NA,"C1CC2=C(C1)C(=C(C=C2)CC(CC3=CC=CC=C3)C(=O)O)C(=O)O","KXCRPZPXYNKGOM-UHFFFAOYSA-N",385635,NA,"PDBC25820","676982","Present",NA,NA
+"25821","5-(2-Chlorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Chlorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one",NA,"C1=CC=C(C(=C1)C(=O)C2=CC3=C(C=C2)OC(=O)N3CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl","BEXZXBQWGVYTEL-UHFFFAOYSA-N",384675,NA,"PDBC25821","674720","Present",NA,NA
+"25822","5-(2-Chloroethyl)-3-methylene-5-phenyldihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Chloroethyl)-3-methylene-5-phenyldihydro-2(3H)-furanone",NA,"C=C1CC(OC1=O)(CCCl)C2=CC=CC=C2","AULAOEYNINYZJN-UHFFFAOYSA-N",367802,NA,"PDBC25822","637826","Present",NA,NA
+"25823","5-(2-Chlorophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(2-chlorophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(C=N2)C4=CC=CC=C4Cl","CNQNWKZPQLTWQK-UHFFFAOYSA-N",390763,NA,"PDBC25823","688526","Present",NA,NA
+"25824","5-(2-Chlorophenyl)-N-(4-chlorophenyl)-5-cyano-4-oxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Chlorophenyl)-N-(4-chlorophenyl)-5-cyano-4-oxopentanamide",NA,"C1=CC=C(C(=C1)C(C#N)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl)Cl","WZNPRFHMJYYJSB-UHFFFAOYSA-N",364305,NA,"PDBC25824","630323","Present",NA,NA
+"25825","5-(2-Cyanoethyl)-1,1-dimethyldecahydro-7bH-cyclopropa[a]naphthalene-7b-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Cyanoethyl)-1,1-dimethyldecahydro-7bH-cyclopropa[a]naphthalene-7b-carbonitrile",NA,"CC1(C2C1(C3CCC(CC3CC2)CCC#N)C#N)C","CTCLHILTZWHHQS-UHFFFAOYSA-N",379594,NA,"PDBC25825","664287","Present",NA,NA
+"25826","5-(2-Dimethylamino-ethylamino)-1,2,10b-triaza-aceanthrylen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Dimethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,"CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=CC=CC=C4C2=O","VCUAYSCBVGFEMN-UHFFFAOYSA-N",438560,NA,"PDBC25826","645820","Present",NA,NA
+"25827","5-(2-Dimethylamino-ethylamino)-8-methoxy-1,2,10b-triaza-aceanthrylen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Dimethylamino)ethylamino]-5-methoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC","OACIUUCGBQKLLG-UHFFFAOYSA-N",438565,NA,"PDBC25827","645825","Present",NA,NA
+"25828","5-(2-Fluoroethoxy)benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Fluoroethoxy)benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,"C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)OCCF","IHNQBYQGGNYXNV-UHFFFAOYSA-N",392512,NA,"PDBC25828","693029","Present",NA,NA
+"25829","5-(2-Fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2185-0720",NA,"CN1C(CC(C1=O)O)C2=CC=CC=C2F","SYUNFYOECZBNKM-UHFFFAOYSA-N",389891,NA,"PDBC25829","686527","Present",NA,NA
+"25830","5-(2-Fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Fluorophenyl)-7-isothiocyanato-1-methyl-3H-1,4-benzodiazepin-2-one",NA,"CN1C(=O)CN=C(C2=C1C=CC(=C2)N=C=S)C3=CC=CC=C3F","PQIJBZIUBYWOTM-UHFFFAOYSA-N",398681,NA,"PDBC25830","708830","Present",NA,NA
+"25831","5-(2-Furylmethylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Furan-2-ylmethylamino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile;4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCC5=CC=CO5)C#N","BFVTWHQYPQDDPJ-UHFFFAOYSA-N",393009,NA,"PDBC25831","694260","Present",NA,NA
+"25832","5-(2-Furylmethylene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Furylmethylene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone",NA,"C1CCN(CC1)CN2C(=O)C(=CC3=CC=CO3)NC2=S","SIJVLEVUCKQMBZ-XFXZXTDPSA-N",5469477,NA,"PDBC25832","688940","Present",NA,NA
+"25833","5-(2-Furylmethylene)-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Furylmethylene)-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone",NA,"C1COCCN1CN2C(=O)C(=CC3=CC=CO3)NC2=S","GSXGKNJJORBETF-FLIBITNWSA-N",5469472,NA,"PDBC25833","688934","Present",NA,NA
+"25834","5-(2-Hydroxybenzyl)-2-methyl-6-phenyl-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Hydroxybenzyl)-2-methyl-6-phenyl-4-pyrimidinol",NA,"CC1=NC(=C(C(=O)N1)CC2=CC=CC=C2O)C3=CC=CC=C3","FWYKYBIVPRKDBO-UHFFFAOYSA-N",135451590,NA,"PDBC25834","112541","Present",NA,NA
+"25835","5-(2-Hydroxyethyl)-9-(3-methoxyphenyl)-6,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-hydroxyethyl)-9-(3-methoxyphenyl)-6,9-dihydro-[1,3]...",NA,"COC1=CC=CC(=C1)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCO4","LJSYPLKJTXXEEK-UHFFFAOYSA-N",50900735,NA,"PDBC25835","750717","Present",NA,NA
+"25836","5-(2-Hydroxyethyl)-9-phenyl-6,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-hydroxyethyl)-9-phenyl-6,9-dihydro-[1,3]dioxolo[4,5...",NA,"C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC=CC=C5)C(=O)O1","MGBUUFXJDUAAKU-UHFFFAOYSA-N",50900736,NA,"PDBC25836","750211","Present",NA,NA
+"25837","5-(2-Hydroxyphenyl)-3-[(4-chlorophenyl)aminomethyl]-1,3,4-oxadiazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Chloro-phenylamino)-methyl]-5 -(2-hydroxy-phenyl)-...",NA,"C1=CC=C(C(=C1)C2=NN(C(=S)O2)CNC3=CC=C(C=C3)Cl)O","RWFVKMOHCHLGFN-UHFFFAOYSA-N",135585518,NA,"PDBC25837","731989","Present",NA,NA
+"25838","5-(2-Hydroxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Hydroxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide",NA,"C1C(N(N=C1C2=CC=CC=C2O)C(=S)N)C3=CC=CC=C3","IHHBCUGJDXJTSW-UHFFFAOYSA-N",135426754,NA,"PDBC25838","716415","Present",NA,NA
+"25839","5-(2-Isopropylidenehydrazino)thiadiazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Isopropylidenehydrazino)thiadiazole-4-carboxamide",NA,"CC(=NNC1=C(N=NS1)C(=O)N)C","NEMSIQLBCCVITC-UHFFFAOYSA-N",388848,NA,"PDBC25839","684042","Present",NA,NA
+"25840","5-(2-Methoxy-5-methylphenyl)dihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Methoxy-5-methylphenyl)dihydro-2(3H)-furanone",NA,"CC1=CC(=C(C=C1)OC)C2CCC(=O)O2","HOURHTBOXRDXPB-UHFFFAOYSA-N",357435,NA,"PDBC25840","616263","Present",NA,NA
+"25841","5-(2-Methoxyethylamino)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2-Methoxyethyl)amino]nicotinamide",NA,"COCCNC1=CN=CC(=C1)C(=O)N","XFWBTMRLYCVSFE-UHFFFAOYSA-N",354310,NA,"PDBC25841","605533","Present",NA,NA
+"25842","5-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,3-dihydroindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,3-dihydroindol-2-one",NA,"CC1=CN2C=C(N=C2S1)C3=CC4=C(C=C3)NC(=O)C4","IGYGYDKIVLYMHK-UHFFFAOYSA-N",24206023,NA,"PDBC25842","737708","Present",NA,NA
+"25843","5-(2-Methylphenyl)-3-phenyl-4,5-dihydroisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Methylphenyl)-3-phenyl-4,5-dihydroisoxazole",NA,"CC1=CC=CC=C1C2CC(=NO2)C3=CC=CC=C3","YKKKNWMVAVUVKL-UHFFFAOYSA-N",368757,NA,"PDBC25843","639911","Present",NA,NA
+"25844","5-(2-Naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,"C1=CC=C2C=C(C=CC2=C1)C3=NNC(=O)N3","WLTSTVVKCGAHLO-UHFFFAOYSA-N",135489805,NA,"PDBC25844","678396","Present",NA,NA
+"25845","5-(2-Oxohydrazino)thiadiazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Oxohydrazino)thiadiazole-4-carboxamide",NA,"C1(=C(SN=N1)NN=O)C(=O)N","LXFPHEAQSCQHKE-UHFFFAOYSA-N",389960,NA,"PDBC25845","686663","Present",NA,NA
+"25846","5-(2-Thienyl)-2,3-bis(3-thienyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Thienyl)-2,3-bis(3-thienyl)thiophene",NA,"C1=CSC(=C1)C2=CC(=C(S2)C3=CSC=C3)C4=CSC=C4","GGLWFORHSXEDQX-UHFFFAOYSA-N",376723,NA,"PDBC25846","657769","Present",NA,NA
+"25847","5-(2-Thienylmethylene)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL428910",NA,"C1=CSC(=C1)C=C2C(=O)NC(=S)N2","BHMMWVDJRGROOU-XQRVVYSFSA-N",5469195,NA,"PDBC25847","684330","Present",NA,NA
+"25848","5-(2H-1,3-Benzodioxol-5-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2H-1,3-Benzodioxol-5-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one",NA,"COC1=CC(=CC(=C1OC)OC)CC2CC(OC2=O)C3=CC4=C(C=C3)OCO4","LDTXKQIMXMXSED-UHFFFAOYSA-N",345275,NA,"PDBC25848","402779","Present",NA,NA
+"25849","5-(2H-Azirin-3-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2H-Azirin-3-yl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C3=NC3)CO)O","BIIZWMXEQROORM-UHFFFAOYSA-N",376367,NA,"PDBC25849","657269","Present",NA,NA
+"25850","5-(3',4'-Dimethoxy)benzylbarbituric Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3',4'-Dimethoxy)benzylbarbituric Acid",NA,"COC1=C(C=C(C=C1)CC2C(=O)NC(=O)NC2=O)OC","JRFQBCPZBQLZJO-UHFFFAOYSA-N",389357,NA,"PDBC25850","685361","Present",NA,NA
+"25851","5-(3'-Benzloxy-4-methoxy)benzylbarbituric Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3'-Benzloxy-4-methoxy)benzylbarbituric Acid",NA,"COC1=C(C=C(C=C1)CC2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3","VYAZLGZRJCUTJF-UHFFFAOYSA-N",389355,NA,"PDBC25851","685359","Present",NA,NA
+"25852","5-(3'-Benzyloxy-4'-methoxy)benzylidenebarbituric Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3'-Benzyloxy-4'-methoxy)benzylidenebarbituric Acid",NA,"COC1=C(C=C(C=C1)C=C2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3","PQVOKQCBWATCGD-UHFFFAOYSA-N",389351,NA,"PDBC25852","685354","Present",NA,NA
+"25853","5-(3'-Methoxy-4'-benzyloxy)benzylbarbituric Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3'-Methoxy-4'-benzyloxy)benzylbarbituric Acid",NA,"COC1=C(C=CC(=C1)CC2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3","LQWPMFMGUCJIFV-UHFFFAOYSA-N",389356,NA,"PDBC25853","685360","Present",NA,NA
+"25854","5-(3'-Methoxy-4'-benzyloxy)benzylidenebarbituric Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3'-Methoxy-4'-benzyloxy)benzylidenebarbituric Acid",NA,"COC1=C(C=CC(=C1)C=C2C(=O)NC(=O)NC2=O)OCC3=CC=CC=C3","IXHLBDPSFLWTFZ-UHFFFAOYSA-N",389352,NA,"PDBC25854","685355","Present",NA,NA
+"25855","5-(3,4,5-Trimethoxybenzylidene)barbituric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4,5-Trimethoxybenzylidene)barbituric acid",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)NC(=O)NC2=O","NILAHWJMFWKLKH-UHFFFAOYSA-N",370318,NA,"PDBC25855","643176","Present",NA,NA
+"25856","5-(3,4,5-Trimethoxyphenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4,5-Trimethoxyphenyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol",NA,"COC1=CC(=CC(=C1OC)OC)C2(C3=CC=CC=C3C4=NCCN42)O","OOCXBILTCDDTIT-UHFFFAOYSA-N",395637,NA,"PDBC25856","700419","Present",NA,NA
+"25857","5-(3,4,5-Trimethoxyphenyl)-[1,3]dioxolo[4,5-g]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4,5-Trimethoxyphenyl)[1,3]dioxolo[4,5-g]isoquinoline",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC=CC3=CC4=C(C=C32)OCO4","BRORELUZNXUCNK-UHFFFAOYSA-N",221307,NA,"PDBC25857","5703","Present",NA,NA
+"25858","5-(3,4-Dichlorophenyl)-6-[(3-methyl-4-nitrophenoxy)methyl]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dichlorophenyl)-6-[(3-methyl-4-nitro-phenoxy)methyl]pyrimidine-2,4-diamine",NA,"CC1=C(C=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]","WEDPZHMFZWFEPC-UHFFFAOYSA-N",420759,NA,"PDBC25858","126710","Present",NA,NA
+"25859","5-(3,4-Dihydroxy-trans-styryl)salicylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dihydroxy-trans-styryl)salicylic acid",NA,"C1=CC(=C(C=C1C=CC2=CC(=C(C=C2)O)O)C(=O)O)O","LFKFXGRMKCMWJH-OWOJBTEDSA-N",5919167,NA,"PDBC25859","666598","Present",NA,NA
+"25860","5-(3,4-Dihydroxyphenethyl)salicylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(3,4-Dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid",NA,"C1=CC(=C(C=C1CCC2=CC(=C(C=C2)O)O)C(=O)O)O","ZJYYJIKJRQVSND-UHFFFAOYSA-N",380860,NA,"PDBC25860","666600","Present",NA,NA
+"25861","5-(3,4-Dimethoxyanilino)-7-methyl-benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dimethoxyanilino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile;4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NC5=CC(=C(C=C5)OC)OC)C#N","VAKWZIFVVZWYEC-UHFFFAOYSA-N",393014,NA,"PDBC25861","694263","Present",NA,NA
+"25862","5-(3,4-Dimethoxyphenyl)-2,4-bis(methylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dimethoxyphenyl)-2,4-bis(methylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline",NA,"COC1=C(C=C(C=C1)C2=C3C(=NC4=C2CCCC4)N=C(N=C3SC)SC)OC","WLWPKBMEUNOZIA-UHFFFAOYSA-N",381068,NA,"PDBC25862","667087","Present",NA,NA
+"25863","5-(3,4-Dimethoxyphenyl)-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dimethoxyphenyl)-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine",NA,"COC1=C(C=C(C=C1)C2=C3C(=NC(=NC3=NC4=C2CCCC4)SCCC5=CC=CC=C5)N)OC","VDIZMUOKRCBMDG-UHFFFAOYSA-N",381064,NA,"PDBC25863","667083","Present",NA,NA
+"25864","5-(3,4-Dimethoxyphenyl)-2-(ethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dimethoxyphenyl)-2-(ethylthio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine",NA,"CCSC1=NC2=NC3=C(CCCC3)C(=C2C(=N1)N)C4=CC(=C(C=C4)OC)OC","IJYDUYYMAVYJKK-UHFFFAOYSA-N",381062,NA,"PDBC25864","667081","Present",NA,NA
+"25865","5-(3,4-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,"COC1=C(C=C(C=C1)C2=CN(C(=O)N2)C3=CC(=C(C(=C3)OC)OC)OC)OC","HBILIMMMVPGXOL-UHFFFAOYSA-N",45027923,NA,"PDBC25865","740130","Present",NA,NA
+"25866","5-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-imidazol-2-one",NA,"COC1=CC=C(C=C1)N2C=C(NC2=O)C3=CC(=C(C=C3)OC)OC","AJPTWLGBPBFVJR-UHFFFAOYSA-N",2135735,NA,"PDBC25866","740262","Present",NA,NA
+"25867","5-(3,4-Dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-dithiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-dithiol",NA,"COC1=C(C=C(C=C1)C2=C3C(=NC4=C2CCCC4)NC(=S)NC3=S)OC","ILCBMRHTPKAOIZ-UHFFFAOYSA-N",5465895,NA,"PDBC25867","667085","Present",NA,NA
+"25868","5-(3,4-Dimethoxyphenyl)-7-methyl-2,4-bis(methylthio)-6-phenylpyrido[2,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dimethoxyphenyl)-7-methyl-2,4-bis(methylthio)-6-phenylpyrido[2,3-d]pyrimidine",NA,"CC1=C(C(=C2C(=N1)N=C(N=C2SC)SC)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4","IBLDQCKNONNNDL-UHFFFAOYSA-N",381069,NA,"PDBC25868","667088","Present",NA,NA
+"25869","5-(3,4-Dimethoxyphenyl)-7-methyl-6-phenyl-pyrido[2,3-d]pyrimidine-2,4-dithiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,4-Dimethoxyphenyl)-7-methyl-6-phenylpyrido[2,3-d]pyrimidine-2,4-dithiol",NA,"CC1=C(C(=C2C(=N1)NC(=S)NC2=S)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4","IXUURIARIZHRJA-UHFFFAOYSA-N",5465896,NA,"PDBC25869","667086","Present",NA,NA
+"25870","5-(3,5,7-Triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)pentanenitrile;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-cyanobutyl)-3,5,7-triaza-1-azoniatricyclo [3.3.1.13...",NA,"C1N2CN3CN1C[N+](C2)(C3)CCCCC#N.[Br-]","XCUKOHRWZQALSN-UHFFFAOYSA-M",5458254,NA,"PDBC25870","131869","Present",NA,NA
+"25871","5-(3,5-Dimethylphenyl)sulfanyl-1-methyl-4-nitro-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole, 5-[(3,5-dimethylphenyl)thio]-1-methyl-4-nitro-",NA,"CC1=CC(=CC(=C1)SC2=C(N=CN2C)[N+](=O)[O-])C","NYMZIPJNYMQIAU-UHFFFAOYSA-N",364611,NA,"PDBC25871","631139","Present",NA,NA
+"25872","5-(3-(1-Naphthyl)-3-oxopropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(Naphthalen-1-yl)-3-oxopropyl]pyrimidine-2,4,6(1H,3...",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)CCC3C(=O)NC(=O)NC3=O","PTAICSCAUQFACU-UHFFFAOYSA-N",373345,NA,"PDBC25872","649561","Present",NA,NA
+"25873","5-(3-(2-(3-(1H-Tetraazol-5-yl)phenyl)hydrazino)phenyl)-1H-tetraazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(2-(3-(1H-Tetraazol-5-yl)phenyl)hydrazino)phenyl)-1H-tetraazole",NA,"C1=CC(=CC(=C1)NNC2=CC=CC(=C2)C3=NNN=N3)C4=NNN=N4","ZJPYMKYAGHLCLA-UHFFFAOYSA-N",323175,NA,"PDBC25873","282027","Present",NA,NA
+"25874","5-(3-(2-Hydroxy-1-naphthyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(2-Hydroxy-1-naphthyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide",NA,"CC1=C(SC(=N1)C(=S)N)C(=O)C=CC2=C(C=CC3=CC=CC=C32)O","ILTPMWGMFDQXJA-VQHVLOKHSA-N",5814880,NA,"PDBC25874","640571","Present",NA,NA
+"25875","5-(3-(2-Hydroxy-3-methoxyphenyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(2-Hydroxy-3-methoxyphenyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide",NA,"CC1=C(SC(=N1)C(=S)N)C(=O)C=CC2=C(C(=CC=C2)OC)O","FGQSEGPUAAJKPA-VOTSOKGWSA-N",6037314,NA,"PDBC25875","642625","Present",NA,NA
+"25876","5-(3-(2-Naphthyl)-3-oxopropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(2-Naphthyl)-3-oxopropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CCC3C(=O)NC(=O)NC3=O","PFVXZBCVUKDZPF-UHFFFAOYSA-N",372153,NA,"PDBC25876","647107","Present",NA,NA
+"25877","5-(3-(3-Hydroxyphenyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(3-Hydroxyphenyl)acryloyl)-4-methyl-1,3-thiazole-2-carbothioamide",NA,"CC1=C(SC(=N1)C(=S)N)C(=O)C=CC2=CC(=CC=C2)O","ISQAZEQVURNQJS-AATRIKPKSA-N",5896934,NA,"PDBC25877","640581","Present",NA,NA
+"25878","5-(3-(4-Chlorophenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(4-Chlorophenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone",NA,"CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)Cl","YFIBIWDORGBRKZ-JLHYYAGUSA-N",5800881,NA,"PDBC25878","634627","Present",NA,NA
+"25879","5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone",NA,"CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)F","SOBGULKOHOCBQO-JLHYYAGUSA-N",6156669,NA,"PDBC25879","634628","Present",NA,NA
+"25880","5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(4-Fluorophenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)F)N4CCCC4","LYWHTOFQZYMZNT-SDNWHVSQSA-N",6380586,NA,"PDBC25880","633105","Present",NA,NA
+"25881","5-(3-(4-Methoxyphenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(4-Methoxyphenyl)acryloyl)-2-methyl-4-(2-methyl-1-aziridinyl)-6-phenyl-3(2H)-pyridazinone",NA,"CC1CN1C2=C(C(=NN(C2=O)C)C3=CC=CC=C3)C(=O)C=CC4=CC=C(C=C4)OC","OYRAFGCWMBNYEL-SDNWHVSQSA-N",5831413,NA,"PDBC25881","634626","Present",NA,NA
+"25882","5-(3-(4-Methoxyphenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(4-Methoxyphenyl)acryloyl)-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC)N4CCCC4","OZNJJYFJONWROQ-NTCAYCPXSA-N",6380584,NA,"PDBC25882","633103","Present",NA,NA
+"25883","5-(3-(Dimethylamino)propyl)-2,3,9-trimethoxy-5H-indeno[1,2-c]quinoline-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(dimethylamino)propyl)-2,3,9-trimethoxy-5H-indeno[1...",NA,"CN(C)CCCN1C2=CC(=C(C=C2C3=C(C1=O)C4=C(C3=O)C=C(C=C4)OC)OC)OC","ULPIMCLMJAWSRK-UHFFFAOYSA-N",54673151,NA,"PDBC25883","754244","Present",NA,NA
+"25884","5-(3-(Dimethylamino)propylamino)-3,10-dimethylpyrimido[4,5-b]quinoline-2,4(3H,10H)-dione hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimido[4,5-b]quinoline-2,4(3H,10H)-dione, 5-[[3-(dimet...",NA,"CN1C2=CC=CC=C2C(=NCCCN(C)C)C3=C1NC(=O)N(C3=O)C.Cl","YSJHFYGHCIFBCG-UHFFFAOYSA-N",135502393,NA,"PDBC25884","373989","Present",NA,NA
+"25885","5-(3-Azido-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrimidinediamine, 5-(3-azido-4-chlorophenyl)-6-ethyl-",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=[N+]=[N-]","CTABHCUZJBWUKN-UHFFFAOYSA-N",343098,NA,"PDBC25885","319947","Present",NA,NA
+"25886","5-(3-Carboxy-4-nitrophenyl)sulfanyl-2-nitrobenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5'-Thiobis(2-nitrobenzoic acid)",NA,"C1=CC(=C(C=C1SC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O)C(=O)O)[N+](=O)[O-]","SVMGGVKPYCCFKL-UHFFFAOYSA-N",393411,NA,"PDBC25886","695265","Present",NA,NA
+"25887","5-(3-Chloro-2-(chloro(difluoro)methyl)-3,3-difluoro-2-hydroxypropyl)-2-phenyl-1,2-dihydro-3H-pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-Chloro-2-[chloro(difluoro)methyl]-3,3-difluoro-2-hydroxy-propyl]-2-phenyl-1H-pyrazol-3-one",NA,"C1=CC=C(C=C1)N2C(=O)C=C(N2)CC(C(F)(F)Cl)(C(F)(F)Cl)O","LPCAPWWZVCNFFV-UHFFFAOYSA-N",379585,NA,"PDBC25887","664274","Present",NA,NA
+"25888","5-(3-Chloro-4-fluorophenyl)-4-[(E)-(4-fluorophenyl)methylideneamino]-2-[[2-(trifluoromethyl)anilino]methyl]-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Chloro-4-fluorophenyl)-4-[(E)-(4-fluorophenyl)methylideneamino]-2-[[2-(trifluoromethyl)anilino]methyl]-1,2,4-triazole-3-thione",NA,"C1=CC=C(C(=C1)C(F)(F)F)NCN2C(=S)N(C(=N2)C3=CC(=C(C=C3)F)Cl)N=CC4=CC=C(C=C4)F","QXGKTTMLQXJZPU-KLPHOBTLSA-N",24205544,NA,"PDBC25888","736143","Present",NA,NA
+"25889","5-(3-Chloro-4-nitrophenyl)-6-ethylpyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrimidinediamine, 5-(3-chloro-4-nitrophenyl)-6-ethyl-",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)[N+](=O)[O-])Cl","WVOUXRHJGOEMJA-UHFFFAOYSA-N",353606,NA,"PDBC25889","602313","Present",NA,NA
+"25890","5-(3-Chloro-benzylidene)-thiazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIM-0032405.P001",NA,"C1=CC(=CC(=C1)Cl)C=C2C(=O)NC(=O)S2","DTXPSQFSJWKKSG-VMPITWQZSA-N",5339172,NA,"PDBC25890","710600","Present",NA,NA
+"25891","5-(3-Chlorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Chlorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one",NA,"C1=CC=C(C=C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)C4=CC(=CC=C4)Cl)OC2=O","GHNZZNPFOCVVLH-UHFFFAOYSA-N",384676,NA,"PDBC25891","674721","Present",NA,NA
+"25892","5-(3-Chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Chlorophenyl)-3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazole",NA,"C1C(NN=C1C2=CC=C(C=C2)Cl)C3=CC(=CC=C3)Cl","TUKNSEQIGURXQP-UHFFFAOYSA-N",403633,NA,"PDBC25892","718701","Present",NA,NA
+"25893","5-(3-Chlorophenyl)-7H-benzimidazo[7,1-fg][1,7]naphthyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(3-Chlorophenyl)-6,9,11-triazatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2(7),3,5,10,12,14-heptaene",NA,"C1C2=C(C=CC=N2)C3=C4N1C(=NC4=CC=C3)C5=CC(=CC=C5)Cl","XWXOIHSCXQYHOV-UHFFFAOYSA-N",383949,NA,"PDBC25893","672913","Present",NA,NA
+"25894","5-(3-Dimethylaminomethyleneamino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Dimethylaminomethyleneamino-4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=CN(C)C","JHYUQAGPICBQOR-UHFFFAOYSA-N",341268,NA,"PDBC25894","372950","Present",NA,NA
+"25895","5-(3-Dimethylaminopropylamino)phthalazino[1,2-b]quinazolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-dimethylaminopropylamino)phthalazino[1,2-b]quinazol...",NA,"CN(C)CCCNC1=NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C41","VYNPQVGFXYNKOX-UHFFFAOYSA-N",1587486,NA,"PDBC25895","749167","Present",NA,NA
+"25896","5-(3-Ethoxypropyl)-9-hydroxy-5H-indeno[1,2-b]indol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Ethoxypropyl)-9-hydroxy-5H-indeno[1,2-b]indol-10-one",NA,"CCOCCCN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O","SLTBZUVBFNGANB-UHFFFAOYSA-N",24205568,NA,"PDBC25896","736172","Present",NA,NA
+"25897","5-(3-Fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2185-0721",NA,"CN1C(CC(C1=O)O)C2=CC(=CC=C2)F","VWRKGZFFOYIATL-UHFFFAOYSA-N",389892,NA,"PDBC25897","686528","Present",NA,NA
+"25898","5-(3-Hydroxy-4-methoxyphenyl)-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-hydroxy-4-methoxyphenyl)-6-(3,4,5-trimethoxyphenyl)...",NA,"COC1=C(C=C(C=C1)C2=C(OC(=O)C=C2)C3=CC(=C(C(=C3)OC)OC)OC)O","UKDQCIHVKSGIHE-UHFFFAOYSA-N",45028149,NA,"PDBC25898","741290","Present",NA,NA
+"25899","5-(3-Hydroxy-4-methoxyphenyl)-6-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-hydroxy-4-methoxyphenyl)-6-[(3,4,5-trimethoxyphenyl...",NA,"COC1=C(C=C(C=C1)C2=C(OC(=O)C=C2)C#CC3=CC(=C(C(=C3)OC)OC)OC)O","HIWILIGTUKVAQC-UHFFFAOYSA-N",45028152,NA,"PDBC25899","741293","Present",NA,NA
+"25900","5-(3-Hydroxy-propoxymethyl)-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Hydroxy-propoxymethyl)-1H-pyrimidine-2,4-dione",NA,"C1=C(C(=O)NC(=O)N1)COCCCO","UOPPOPPEDDACKV-UHFFFAOYSA-N",373126,NA,"PDBC25900","649068","Present",NA,NA
+"25901","5-(3-Hydroxyphenyl)-3H-1,2-dithiol-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Hydroxyphenyl)-3H-1,2-dithiol-3-thione",NA,"C1=CC(=CC(=C1)O)C2=CC(=S)SS2","MITFPFXXJMTHIE-UHFFFAOYSA-N",400549,NA,"PDBC25901","712670","Present",NA,NA
+"25902","5-(3-Hydroxypyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Hydroxypyrrolidin-1-yl)benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,"C1CN(CC1O)C2=C(C3=NC4=CC=CC=C4N3C5=CC=CC=C52)C#N","HNGVRYQZCVGLNG-UHFFFAOYSA-N",392513,NA,"PDBC25902","693030","Present",NA,NA
+"25903","5-(3-Imidazol-1-ylpropylamino)-7-methyl-benzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Imidazol-1-ylpropylamino)-7-methylbenzimidazolo[1,2-a]quinolin-7-ium-6-carbonitrile;4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=CC=CC=C3N2C4=CC=CC=C41)NCCCN5C=CN=C5)C#N","BXOWVKBIUNKJIS-UHFFFAOYSA-N",393022,NA,"PDBC25903","694268","Present",NA,NA
+"25904","5-(3-Mesityl-5-phenyl-1,4,2-dioxazol-5-yl)-2-phenyl-3(2H)-isothiazolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Mesityl-5-phenyl-1,4,2-dioxazol-5-yl)-2-phenyl-3(2H)-isothiazolone",NA,"CC1=CC(=C(C(=C1)C)C2=NOC(O2)(C3=CC=CC=C3)C4=CC(=O)N(S4)C5=CC=CC=C5)C","OSKQJMMDJOLOOG-UHFFFAOYSA-N",394285,NA,"PDBC25904","697652","Present",NA,NA
+"25905","5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole",NA,"COC1=CC=CC(=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC","QBHAJKKPBMRTJO-UHFFFAOYSA-N",45028260,NA,"PDBC25905","741942","Present",NA,NA
+"25906","5-(3-Methyl-1,3-thiazinan-2-ylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Methyl-1,3-thiazinan-2-ylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one",NA,"CN1CCCSC1=C2C(=O)N(C(=S)S2)C3=CC=CC=C3","LKGVMWQXJNJISS-ACCUITESSA-N",3004377,NA,"PDBC25906","649018","Present",NA,NA
+"25907","5-(3-Methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid",NA,"CC1=NOC(=C1)C2=CC=C(N2)C(=O)O","OETMYTKMPUTIEZ-UHFFFAOYSA-N",392920,NA,"PDBC25907","694104","Present",NA,NA
+"25908","5-(3-Nitrophenyl)-3-oxo-2-(3,5-trimethoxybenzylidene)-2,3-dihydrothiazolo[2,3-b]thiazol-4-ium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-nitrophenyl)-3-oxo-2-(3,4,5-trimethoxybenzylidene)-...",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]","FFZBPBXVJLVWTK-NAIZSXBXSA-M",6517868,NA,"PDBC25908","658290","Present",NA,NA
+"25909","5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Nitrophenyl)-4H-1,2,4-triazol-3-ol",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=O)N2","GWBITECELKZDFX-UHFFFAOYSA-N",135486402,NA,"PDBC25909","678395","Present",NA,NA
+"25910","5-(3-Nitrophenyl)thiophene-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6253AJ",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(S2)C=O","FWBJYBHOUJJDEN-UHFFFAOYSA-N",390173,NA,"PDBC25910","687320","Present",NA,NA
+"25911","5-(3-Oxo-5-phenyl-4-pentenyl)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-3-Oxo-5-phenyl-pent-4-enyl]-2-thioxo-hexahydropyrimidine-4,6-dione",NA,"C1=CC=C(C=C1)C=CC(=O)CCC2C(=O)NC(=S)NC2=O","RSNCIBMHZXGTTK-VOTSOKGWSA-N",5887450,NA,"PDBC25911","649556","Present",NA,NA
+"25912","5-(3-Oxo-but-1-enyl)-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Oxo-but-1-enyl)-1H-pyrimidine-2,4-dione",NA,"CC(=O)C=CC1=CNC(=O)NC1=O","ROAAEOJUCDTGGM-NSCUHMNNSA-N",6284909,NA,"PDBC25912","207111","Present",NA,NA
+"25913","5-(3-Oxobutyl)-3,3a,4,6-tetrahydropyrrolo[3,4-c]pyrazole-6a-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyano-7-[3-oxo-butyl]-2,3,7-triazabicyclo[3.3.0]oct-2-ene",NA,"CC(=O)CCN1CC2CN=NC2(C1)C#N","YZYMXILMEJGAOY-UHFFFAOYSA-N",386773,NA,"PDBC25913","679451","Present",NA,NA
+"25914","5-(3-Phenyl-3-oxo-1-propynyl)pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Phenyl-3-oxo-1-propynyl)pyrimidine-2,4(1H,3H)-dione",NA,"C1=CC=C(C=C1)C(=O)C#CC2=CNC(=O)NC2=O","UBLTWZQWEKQURJ-UHFFFAOYSA-N",359098,NA,"PDBC25914","619674","Present",NA,NA
+"25915","5-(3-Phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4-oxothiazolidin-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4- oxo...",NA,"C1C(=O)N(C(=C2C(=O)N(C(=S)S2)C3=CC=CC=C3)S1)C4=CC=CC=C4","YCDVRAJZFHLNFN-BMRADRMJSA-N",5472509,NA,"PDBC25915","719994","Present",NA,NA
+"25916","5-(3-Tert-Butoxy-2-cyano-3-oxopropanoyl)-1H-pyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-Tert-Butoxy-2-cyano-3-oxopropanoyl)-1H-pyrrole-2-carboxylic acid",NA,"CC(C)(C)OC(=O)C(C#N)C(=O)C1=CC=C(N1)C(=O)O","QXZLUBFLEDUMDB-UHFFFAOYSA-N",392530,NA,"PDBC25916","693046","Present",NA,NA
+"25917","5-(3-Tosylureido)-1,3,4-thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-158852",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NN=C(S2)S(=O)(=O)N","MVJGBJOMTDVGRA-UHFFFAOYSA-N",395826,NA,"PDBC25917","700718","Present",NA,NA
+"25918","5-(4,6-Difluoro-1,3,5-triazin-2-yl)-2,3-dihydro[1,3]thiazolo[2,3-a]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4,6-Difluoro-1,3,5-triazin-2-yl)-2,3-dihydro[1,3]thiazolo[2,3-a]isoindole",NA,"C1CSC2=C3C=CC=CC3=C(N21)C4=NC(=NC(=N4)F)F","RGUFIXWRRQEQQB-UHFFFAOYSA-N",373224,NA,"PDBC25918","649231","Present",NA,NA
+"25919","5-(4-(((4-Amino-5-(4-chloroanilino)-4H-1,2,4-triazol-3-yl)methyl)amino)phenyl)-N~3~-(4-chlorophenyl)-4H-1,2,4-triazole-3,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[4-[4-Amino-5-(4-chloroanilino)-1,2,4-triazol-3-yl]anilino]methyl]-3-N-(4-chlorophenyl)-1,2,4-triazole-3,4-diamine",NA,"C1=CC(=CC=C1C2=NN=C(N2N)NC3=CC=C(C=C3)Cl)NCC4=NN=C(N4N)NC5=CC=C(C=C5)Cl","OQLFYWGEGXKAAL-UHFFFAOYSA-N",394026,NA,"PDBC25919","697144","Present",NA,NA
+"25920","5-(4-(((4-Amino-5-(methylamino)-4H-1,2,4-triazol-3-yl)methyl)amino)phenyl)-N~3~-methyl-4H-1,2,4-triazole-3,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[4-[4-Amino-5-(methylamino)-1,2,4-triazol-3-yl]anilino]methyl]-3-N-methyl-1,2,4-triazole-3,4-diamine",NA,"CNC1=NN=C(N1N)CNC2=CC=C(C=C2)C3=NN=C(N3N)NC","OEIXKSOVZGENLH-UHFFFAOYSA-N",394027,NA,"PDBC25920","697145","Present",NA,NA
+"25921","5-(4-((4-Chlorophenyl)thio)-4-phenyl-2-butenyl)-6-methyl-1,2,4-triazin-3-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-((4-Chlorophenyl)thio)-4-phenyl-2-butenyl)-6-methyl-1,2,4-triazin-3-ylamine",NA,"CC1=C(N=C(N=N1)N)CC=CC(C2=CC=CC=C2)SC3=CC=C(C=C3)Cl","NCHGEEUKGFVBNK-WEVVVXLNSA-N",6413455,NA,"PDBC25921","698022","Present",NA,NA
+"25922","5-(4-((Tert-Butyl(dimethyl)silyl)oxy)-3,5-dimethylphenyl)-5-((2-methoxyethoxy)methoxy)-1-pentanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-((Tert-Butyl(dimethyl)silyl)oxy)-3,5-dimethylphenyl)-5-((2-methoxyethoxy)methoxy)-1-pentanol",NA,"CC1=CC(=CC(=C1O[Si](C)(C)C(C)(C)C)C)C(CCCCO)OCOCCOC","ZKFUWBVSEYSRCR-UHFFFAOYSA-N",371296,NA,"PDBC25922","645371","Present",NA,NA
+"25923","5-(4-(Aminomethyl)-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-(Aminomethyl)-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol",NA,"CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)CN","YKSBIVHAIFIDOJ-UHFFFAOYSA-N",135422761,NA,"PDBC25923","673102","Present",NA,NA
+"25924","5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihydro-[1,3,4]thiadiazole-2-sulfonic acid amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Amino-benzenesulfonylimino)-4-methyl-4,5-dihydro-[1,3,4]thiadiazole-2-sulfonic acid amide",NA,"CN1C(=NS(=O)(=O)C2=CC=C(C=C2)N)SC(=N1)S(=O)(=O)N","BKCXBMXTXLGZCV-MDWZMJQESA-N",5956379,NA,"PDBC25924","700712","Present",NA,NA
+"25925","5-(4-Aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Aminophenyl)-N-(2-methoxy-5-methylphenyl)-1,3,4-thiadiazol-2-amine",NA,"CC1=CC(=C(C=C1)OC)NC2=NN=C(S2)C3=CC=C(C=C3)N","YAVDYPHYLFWKDL-UHFFFAOYSA-N",402293,NA,"PDBC25925","716184","Present",NA,NA
+"25926","5-(4-Benzyl-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Benzyl-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol",NA,"CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)CC3=CC=CC=C3","MBCPFKQSLUHISR-UHFFFAOYSA-N",135476303,NA,"PDBC25926","673098","Present",NA,NA
+"25927","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(2-methylphenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(o-tolyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione",NA,"CC1=CC=CC=C1N2C(=O)C3CC(C=CC3C2=O)N4C(=O)N(C(=O)N4)CC5=CC=CC=C5","SWDCMYLXRQXNGE-UHFFFAOYSA-N",374441,NA,"PDBC25927","652152","Present",NA,NA
+"25928","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(3-chlorophenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(3-chlorophenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",NA,"C1C(C=CC2C1C(=O)N(C2=O)C3=CC(=CC=C3)Cl)N4C(=O)N(C(=O)N4)CC5=CC=CC=C5","UKUAZBWOTIWXGB-UHFFFAOYSA-N",374444,NA,"PDBC25928","652155","Present",NA,NA
+"25929","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(4-bromophenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(4-bromophenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",NA,"C1C(C=CC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Br)N4C(=O)N(C(=O)N4)CC5=CC=CC=C5","ZQBBZDNYYFYSQS-UHFFFAOYSA-N",374446,NA,"PDBC25929","652157","Present",NA,NA
+"25930","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(4-methoxyphenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(4-methoxyphenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",NA,"COC1=CC=C(C=C1)N2C(=O)C3CC(C=CC3C2=O)N4C(=O)N(C(=O)N4)CC5=CC=CC=C5","UUVVWBZBKOWYBO-UHFFFAOYSA-N",374443,NA,"PDBC25930","652154","Present",NA,NA
+"25931","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(4-methylphenyl)-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-2-(p-tolyl)-3a,4,5,7a-tetrahydroisoindole-1,3-dione",NA,"CC1=CC=C(C=C1)N2C(=O)C3CC(C=CC3C2=O)N4C(=O)N(C(=O)N4)CC5=CC=CC=C5","NSKRXGIBHQDJKC-UHFFFAOYSA-N",374442,NA,"PDBC25931","652153","Present",NA,NA
+"25932","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-6-methyl-2-phenyl-3a,4,5,7a-tetrahydro-1H-isoindole-1,3(2H)-dione",NA,"CC1=CC2C(CC1N3C(=O)N(C(=O)N3)CC4=CC=CC=C4)C(=O)N(C2=O)C5=CC=CC=C5","XYTLCKXGZKYPTP-UHFFFAOYSA-N",374445,NA,"PDBC25932","652156","Present",NA,NA
+"25933","5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-6-methylene-2-phenylhexahydro-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Benzyl-3,5-dioxo-1,2,4-triazolidin-1-yl)-6-methylidene-2-phenyl-4,5,7,7a-tetrahydro-3aH-isoindole-1,3-dione",NA,"C=C1CC2C(CC1N3C(=O)N(C(=O)N3)CC4=CC=CC=C4)C(=O)N(C2=O)C5=CC=CC=C5","NFPGEIZVAHSMNV-UHFFFAOYSA-N",374447,NA,"PDBC25933","652158","Present",NA,NA
+"25934","5-(4-Benzylpiperazin-1-yl)-6-methylpyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Benzylpiperazin-1-yl)-6-methylpyrimidine-2,4-diamine",NA,"CC1=C(C(=NC(=N1)N)N)N2CCN(CC2)CC3=CC=CC=C3","RWPZCMBDWDFQQK-UHFFFAOYSA-N",391857,NA,"PDBC25934","691520","Present",NA,NA
+"25935","5-(4-Bromo-1-methyl-2,5-dioxopyrrol-3-yl)-1,3,6-trimethylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Bromo-1-methyl-2,5-dioxopyrrol-3-yl)-1,3,6-trimethylpyrimidine-2,4-dione",NA,"CC1=C(C(=O)N(C(=O)N1C)C)C2=C(C(=O)N(C2=O)C)Br","HCBDFLQTDJMJFF-UHFFFAOYSA-N",342065,NA,"PDBC25935","377143","Present",NA,NA
+"25936","5-(4-Bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylic acid",NA,"CC1=NOC(=C1Br)C2=CC=C(N2)C(=O)O","ZOXJKUCAAUOHED-UHFFFAOYSA-N",392918,NA,"PDBC25936","694102","Present",NA,NA
+"25937","5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,"C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Br","NYIXKOLBAFONPA-UHFFFAOYSA-N",384263,NA,"PDBC25937","673811","Present",NA,NA
+"25938","5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine 6,6-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Bromophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine 6,6-dioxide",NA,"C1C(S(=O)(=O)C2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)Br","QISNOUNKDBHGTJ-UHFFFAOYSA-N",384268,NA,"PDBC25938","673816","Present",NA,NA
+"25939","5-(4-Bromophenyl)-2-(4-methoxyphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Bromophenyl)-2-(4-methoxyphenyl)-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"COC1=CC=C(C=C1)N2C(=O)C3CC(C4=C(C3C2=O)NC5=CC=CC=C54)C6=CC=C(C=C6)Br","BTIBBLIGJHWIEC-UHFFFAOYSA-N",373646,NA,"PDBC25939","650366","Present",NA,NA
+"25940","5-(4-Bromophenyl)-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Bromophenyl)-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole",NA,"C1CSC(S1)C2=CC3=C(C=C2C4=CC=C(C=C4)Br)OCO3","MEIILGLHUWIVLW-UHFFFAOYSA-N",372798,NA,"PDBC25940","648421","Present",NA,NA
+"25941","5-(4-Bromophenyl)-7,7-bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Bromophenyl)-7,7-bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,"CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=C(C=C3)Br)C(=O)N(C1=O)C","YYHJFBGHPNHNCB-UHFFFAOYSA-N",395441,NA,"PDBC25941","699986","Present",NA,NA
+"25942","5-(4-Chlorobenzylidene)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BHT102893",NA,"C1=CC(=CC=C1C=C2C(=O)NC(=S)N2)Cl","QNVGUGFRTRAWCL-YVMONPNESA-N",717424,NA,"PDBC25942","684329","Present",NA,NA
+"25943","5-(4-Chlorophenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-1,2,3,4-tetrahydrobenzo[a]phenanthridine",NA,"C1CCC2=C(C1)C3=C(C=CC4=CC=CC=C43)N=C2C5=CC=C(C=C5)Cl","PASHVRJQIMSUKB-UHFFFAOYSA-N",394741,NA,"PDBC25943","698409","Present",NA,NA
+"25944","5-(4-Chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)N2C=C(NC2=O)C3=CC=C(C=C3)Cl","FCLMJANOGCULJL-UHFFFAOYSA-N",44446871,NA,"PDBC25944","740124","Present",NA,NA
+"25945","5-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1-(4-nitrophenyl)triazole",NA,"C1CN=C(N1)C2=C(N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl","SOCLFZKCXIVUAT-UHFFFAOYSA-N",371077,NA,"PDBC25945","645023","Present",NA,NA
+"25946","5-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-1H-1,2,3-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)-1-phenyl-1H-1,2,3-triazole",NA,"C1CN=C(N1)C2=C(N(N=N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","AKLPEUDSMPZKCA-UHFFFAOYSA-N",371082,NA,"PDBC25946","645028","Present",NA,NA
+"25947","5-(4-Chlorophenyl)-4-imino-7-(4-methylphenyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-4-imino-7-(4-methylphenyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-3-amine",NA,"CC1=CC=C(C=C1)N2C=C(C3=C2N=CN(C3=N)N)C4=CC=C(C=C4)Cl","JBWNVMWSJUKGMH-UHFFFAOYSA-N",381122,NA,"PDBC25947","667384","Present",NA,NA
+"25948","5-(4-Chlorophenyl)-5-(p-tolyl)-2,3-dihydroimidazo[2,1-a]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-5-(p-tolyl)-2,3-dihydroimidazo[2,1-a]isoindole",NA,"CC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=NCCN42)C5=CC=C(C=C5)Cl","NBNISSOBVHKYNY-UHFFFAOYSA-N",388690,NA,"PDBC25948","683714","Present",NA,NA
+"25949","5-(4-Chlorophenyl)-5-cyano-4-oxo-N-(3-(trifluoromethyl)phenyl)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-5-cyano-4-oxo-N-(3-(trifluoromethyl)phenyl)pentanamide",NA,"C1=CC(=CC(=C1)NC(=O)CCC(=O)C(C#N)C2=CC=C(C=C2)Cl)C(F)(F)F","GCUUDVYSFPQBBE-UHFFFAOYSA-N",360357,NA,"PDBC25949","622415","Present",NA,NA
+"25950","5-(4-Chlorophenyl)-5-cyano-N-(3,4-dichlorophenyl)-4-oxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-5-cyano-N-(3,4-dichlorophenyl)-4-oxopentanamide",NA,"C1=CC(=CC=C1C(C#N)C(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl","IHHKPRYLKAUDQK-UHFFFAOYSA-N",364950,NA,"PDBC25950","631836","Present",NA,NA
+"25951","5-(4-Chlorophenyl)-5-cyano-N-(3,4-dimethylphenyl)-4-oxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-5-cyano-N-(3,4-dimethylphenyl)-4-oxopentanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=O)C(C#N)C2=CC=C(C=C2)Cl)C","CIAOLGIQNCAKAM-UHFFFAOYSA-N",364942,NA,"PDBC25951","631828","Present",NA,NA
+"25952","5-(4-Chlorophenyl)-6,8-dimethyl-2H,3H,5H-imidazo[2,1-a]isoindol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-6,8-dimethyl-2H,3H,5H-imidazo[2,1-a]isoindol-5-ol",NA,"CC1=CC(=C2C(=C1)C3=NCCN3C2(C4=CC=C(C=C4)Cl)O)C","JHOCWSUEYIATGH-UHFFFAOYSA-N",403506,NA,"PDBC25952","718506","Present",NA,NA
+"25953","5-(4-Chlorophenyl)-6-(-2-(4-nitrophenyl)ethenyl)-2,4-pyrimidinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-6-(-2-(4-nitrophenyl)ethenyl)-2,4-pyrimidinediamine",NA,"C1=CC(=CC=C1C=CC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)[N+](=O)[O-]","VOCVPDMLBGGHDW-XCVCLJGOSA-N",5474909,NA,"PDBC25953","104133","Present",NA,NA
+"25954","5-(4-Chlorophenyl)-6-pyrrolidin-1-yl-3,6-dihydro-2H-imidazo[2,1-a]isoquinolin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-6-pyrrolidin-1-yl-2,3,5,6-tetrahydroimidazo[2,1-a]isoquinolin-5-ol",NA,"C1CCN(C1)C2C3=CC=CC=C3C4=NCCN4C2(C5=CC=C(C=C5)Cl)O","KVHQKANIWGGWBY-UHFFFAOYSA-N",403515,NA,"PDBC25954","718516","Present",NA,NA
+"25955","5-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-7-(2,4-dichlorophenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine",NA,"CC1=NN=C2N1C(=CC(=N2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl","AWOPAMHXVNLDPR-UHFFFAOYSA-N",403762,NA,"PDBC25955","719181","Present",NA,NA
+"25956","5-(4-Chlorophenyl)-7-(3,4-dichlorophenyl)-3-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-chlorophenyl)-7-(3,4-dichlorophenyl)-3-methyl-5H-th...",NA,"CC1=CSC2=NC(=CC(N12)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl","AQNDJNYONCCFHL-UHFFFAOYSA-N",155815875,NA,"PDBC25956","765920","Present",NA,NA
+"25957","5-(4-Chlorophenyl)-8-(pyrrolidin-1-ylmethyl)-2,3-dihydroimidazo[1,2-b]isoindol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-8-(pyrrolidin-1-ylmethyl)-2,5-dihydro-3h-imidazo[2,1-a]isoindol-5-ol",NA,"C1CCN(C1)CC2=CC3=C(C=C2)C(N4C3=NCC4)(C5=CC=C(C=C5)Cl)O","GVDCZRJSTYCQKW-UHFFFAOYSA-N",403512,NA,"PDBC25957","718512","Present",NA,NA
+"25958","5-(4-Chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine",NA,"COC1=CC(=CC(=C1OC)OC)NC2=C(NN=C2)C3=CC=C(C=C3)Cl","SKNOXMDFVCACAC-UHFFFAOYSA-N",45028878,NA,"PDBC25958","744683","Present",NA,NA
+"25959","5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Cyano-1-piperazinyl)-2,6-dimethyl-4-pyrimidinol",NA,"CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)C#N","NKPUYTKJVMJWLO-UHFFFAOYSA-N",135422862,NA,"PDBC25959","673099","Present",NA,NA
+"25960","5-(4-Diethylamino-benzylidene)-2-thioxo-dihydro-pyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"barbituric acid, 5-[p-(diethylamino)benzylidene]-2-thio-",NA,"CCN(CC)C1=CC=C(C=C1)C=C2C(=O)NC(=S)NC2=O","UWGKOXLKMHPSTG-UHFFFAOYSA-N",678138,NA,"PDBC25960","90749","Present",NA,NA
+"25961","5-(4-Dimethylamino-benzylidene)-2-(4-methyl-piperazin-1-yl)-thiazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Dimethylamino-benzylidene)-2-(4-methyl-piperazin-1-...",NA,"CN1CCN(CC1)C2=NC(=O)C(=CC3=CC=C(C=C3)N(C)C)S2","RRNSVDBLPXFNEG-NTCAYCPXSA-N",1902891,NA,"PDBC25961","735178","Present",NA,NA
+"25962","5-(4-Dimethylaminobenzylidene)rhodanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-dimethylaminobenzalrhodanine",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)NC(=S)S2","JJRVRELEASDUMY-JXMROGBWSA-N",1273211,NA,"PDBC25962","5042","Present",NA,NA
+"25963","5-(4-Fluoroanilino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Fluoroanilino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile",NA,"C1CCN(C1)C2=NSC(=C2C#N)NC3=CC=C(C=C3)F","BSPGJLNIBBAMBI-UHFFFAOYSA-N",385018,NA,"PDBC25963","675871","Present",NA,NA
+"25964","5-(4-Fluorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Fluorobenzoyl)-3-[2-(4-nitrophenyl)-2-oxo-ethyl]-1,3-benzoxazol-2-one",NA,"C1=CC(=CC=C1C(=O)CN2C3=C(C=CC(=C3)C(=O)C4=CC=C(C=C4)F)OC2=O)[N+](=O)[O-]","HYMAOOQZQWFHLP-UHFFFAOYSA-N",384678,NA,"PDBC25964","674723","Present",NA,NA
+"25965","5-(4-Fluorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Fluorobenzoyl)-3-phenacyl-1,3-benzoxazol-2-one",NA,"C1=CC=C(C=C1)C(=O)CN2C3=C(C=CC(=C3)C(=O)C4=CC=C(C=C4)F)OC2=O","FUFOBSYVSCZRIV-UHFFFAOYSA-N",384677,NA,"PDBC25965","674722","Present",NA,NA
+"25966","5-(4-Fluorophenyl)-2-((8-((5-(4-fluorophenyl)-4-propyl-1H-imidazol-2-yl)thio)octyl)thio)-4-propyl-1H-imidazole methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Fluorophenyl)-2-[8-[[4-(4-fluorophenyl)-5-propyl-1H-imidazol-2-yl]sulfanyl]octylsulfanyl]-5-propyl-1H-imidazole;methanesulfonic acid",NA,"CCCC1=C(N=C(N1)SCCCCCCCCSC2=NC(=C(N2)CCC)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.CS(=O)(=O)O","JUMCLLGZRVASPB-UHFFFAOYSA-N",374589,NA,"PDBC25966","652562","Present",NA,NA
+"25967","5-(4-Fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)N2C=C(NC2=O)C3=CC=C(C=C3)F","UTUFBMLUHPIJTP-UHFFFAOYSA-N",45027956,NA,"PDBC25967","740257","Present",NA,NA
+"25968","5-(4-Fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Fluorophenyl)-3-(3,4,5-trimethoxyphenyl)-1H-imidazole-2-thione",NA,"COC1=CC(=CC(=C1OC)OC)N2C=C(NC2=S)C3=CC=C(C=C3)F","HBVAFBIDYQJDPA-UHFFFAOYSA-N",45027955,NA,"PDBC25968","740254","Present",NA,NA
+"25969","5-(4-Hydroxy-3,5-dimethoxy-phenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[5,6-f]indolizine-7,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Hydroxy-3,5-dimethoxy-phenyl)-5,8,9,9a-tetrahydro-[1,3]benzodioxolo[5,6-f]indolizine-7,10-dione",NA,"COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3C(=O)C5N2C(=O)CC5)OCO4","DHAJSWSGIAPSOV-UHFFFAOYSA-N",393641,NA,"PDBC25969","695852","Present",NA,NA
+"25970","5-(4-Hydroxybenzylidene)-2-[(4-methoxyphenyl)imino]-3-propyl-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-hydroxy)-benzyliden]-2(4-methoxy)phenylimino-3-pro...",NA,"CCCN1C(=O)C(=CC2=CC=C(C=C2)O)SC1=NC3=CC=C(C=C3)OC","YKFLLPCISRROEB-JEFZPDFESA-N",1813011,NA,"PDBC25970","731054","Present",NA,NA
+"25971","5-(4-Hydroxybenzylidene)-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo-3-(piperidinomethyl)-5-[(Z)-4-hydroxybenzylidene]imidazolidine-4-one",NA,"C1CCN(CC1)CN2C(=O)C(=CC3=CC=C(C=C3)O)NC2=S","RVXZHNYALNHPDF-UVTDQMKNSA-N",5469478,NA,"PDBC25971","688941","Present",NA,NA
+"25972","5-(4-Methoxy-benzylidene)-2-phenylimino-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766747",NA,"COC1=CC=C(C=C1)C=C2C(=O)NC(=NC3=CC=CC=C3)S2","GIIJJSVNYMYHHB-PTNGSMBKSA-N",135465730,NA,"PDBC25972","766747","Present",NA,NA
+"25973","5-(4-Methoxybenzylidene)-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo-3-(morpholinomethyl)-5-[(Z)-4-methoxybenzylidene]imidazolidine-4-one",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CN3CCOCC3","MRLIMXYBVBQMIY-UVTDQMKNSA-N",5469468,NA,"PDBC25973","688930","Present",NA,NA
+"25974","5-(4-Methoxybenzylidene)-3-(piperidinomethyl)-2-thiohydantoin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PQQMTSHCNWPQES-PTNGSMBKSA-N",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)CN3CCCCC3","PQQMTSHCNWPQES-PTNGSMBKSA-N",5369167,NA,"PDBC25974","688936","Present",NA,NA
+"25975","5-(4-Methoxyphenethyl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(4-Methoxyphenyl)ethyl]-1,3-benzodioxole",NA,"COC1=CC=C(C=C1)CCC2=CC3=C(C=C2)OCO3","YAZOTRZBIAZJHD-UHFFFAOYSA-N",398644,NA,"PDBC25975","708794","Present",NA,NA
+"25976","5-(4-Methoxyphenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methoxyphenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,"COC1=CC=C(C=C1)C2CC3(N(C4=CC=CC=C4S2)C(=NO3)C5=CC=CC=C5)C6=CC=CC=C6","JXDLBNUICLTOGW-UHFFFAOYSA-N",384264,NA,"PDBC25976","673812","Present",NA,NA
+"25977","5-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazole",NA,"COC1=CC=C(C=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC","KGCGIURDSZNLQS-UHFFFAOYSA-N",49865894,NA,"PDBC25977","748404","Present",NA,NA
+"25978","5-(4-Methoxyphenyl)-3-(4-nitrophenyl)-4-(1,4,5,6-tetrahydropyrimidin-2-yl)isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(4-Methoxyphenyl)-3-(4-nitrophenyl)-1,2-oxazol-4-yl]-1,4,5,6-tetrahydropyrimidine",NA,"COC1=CC=C(C=C1)C2=C(C(=NO2)C3=CC=C(C=C3)[N+](=O)[O-])C4=NCCCN4","LHIYUSZRTHAPHT-UHFFFAOYSA-N",371099,NA,"PDBC25978","645046","Present",NA,NA
+"25979","5-(4-Methoxyphenyl)-3-methyl-3-penten-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methoxyphenyl)-3-methyl-3-penten-1-ol",NA,"CC(=CCC1=CC=C(C=C1)OC)CCO","XTFIKARQTNZFOC-QDEBKDIKSA-N",5469367,NA,"PDBC25979","687140","Present",NA,NA
+"25980","5-(4-Methoxyphenyl)-6-phenyl-3,6-dihydro-1,3,4-oxadiazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methoxyphenyl)-6-phenyl-3,6-dihydro-1,3,4-oxadiazin-2-one",NA,"COC1=CC=C(C=C1)C2=NNC(=O)OC2C3=CC=CC=C3","ADHCXONASVYNDV-UHFFFAOYSA-N",322222,NA,"PDBC25980","278459","Present",NA,NA
+"25981","5-(4-Methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazol-4-amine",NA,"COC1=CC=C(C=C1)C2=C(C=NN2)NC3=CC(=C(C(=C3)OC)OC)OC","JSGVKIMYZVMKRL-UHFFFAOYSA-N",54612823,NA,"PDBC25981","747339","Present",NA,NA
+"25982","5-(4-Methoxyphenyl)furo[2,3-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW642125X",NA,"COC1=CC=C(C=C1)C2=COC3=NC=NC(=C23)N","QGHMHWPBFHABJY-UHFFFAOYSA-N",5329801,NA,"PDBC25982","756295","Present",NA,NA
+"25983","5-(4-Methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methylbenzyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,"CC1=CC=C(C=C1)CC2=NNC(=O)N2","RXGQWFHUPPCICS-UHFFFAOYSA-N",135435326,NA,"PDBC25983","686974","Present",NA,NA
+"25984","5-(4-Methylphenyl)-1,3a-diphenyl-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methylphenyl)-1,3a-diphenyl-4,5-dihydro-3aH-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,"CC1=CC=C(C=C1)C2CC3(N(C4=CC=CC=C4S2)C(=NO3)C5=CC=CC=C5)C6=CC=CC=C6","YZOZNBPPPRGXPS-UHFFFAOYSA-N",384265,NA,"PDBC25984","673813","Present",NA,NA
+"25985","5-(4-Methylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(p-Tolyl)-1H-1,2,4-triazol-5(4H)-one",NA,"CC1=CC=C(C=C1)C2=NNC(=O)N2","MNHXQVGGHYZRBU-UHFFFAOYSA-N",135463862,NA,"PDBC25985","678392","Present",NA,NA
+"25986","5-(4-Methylphenyl)sulfonyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methylphenyl)sulfonyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]pentanamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)CC(=O)CC(=O)C(=O)NC2=CC=CC(=C2)C(F)(F)F","ABILOJBOTLRSDA-UHFFFAOYSA-N",358491,NA,"PDBC25986","618499","Present",NA,NA
+"25987","5-(4-Methylpiperazino)-2-[2-(acetoxymethyl)-4,7-dimethoxy-1H-benzimidazole-5-yl]-3H-imidazo[4,5-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,7-Dimethoxy-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl]methyl acetate",NA,"CC(=O)OCC1=NC2=C(C=C(C(=C2N1)OC)C3=NC4=C(N3)C=CC(=N4)N5CCN(CC5)C)OC","ULDFBGYGONQCDE-UHFFFAOYSA-N",6712765,NA,"PDBC25987","710287","Present",NA,NA
+"25988","5-(4-Methylpiperazino)-2-[2-(hydroxymethyl)-4,7-dimethoxy-1H-benzimidazole-5-yl]-3H-imidazo[4,5-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,7-Dimethoxy-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-benzimidazol-2-yl]methanol",NA,"CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4OC)NC(=N5)CO)OC","BARJWIXVPJSWOI-UHFFFAOYSA-N",6712766,NA,"PDBC25988","710288","Present",NA,NA
+"25989","5-(4-Methylpiperazino)-2-[2-(methoxymethyl)-4,7-dimethoxy-1H-benzimidazole-5-yl]-3H-imidazo[4,5-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4,7-Dimethoxy-2-(methoxymethyl)-3H-benzimidazol-5-yl]-5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridine",NA,"CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4OC)NC(=N5)COC)OC","OZPDECQZCLFBJQ-UHFFFAOYSA-N",6712764,NA,"PDBC25989","710286","Present",NA,NA
+"25990","5-(4-Methylsulfanylphenyl)-2-phenyl-3-[5-(2,4,5-trichlorophenyl)furan-2-yl]-3,4-dihydropyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Methylsulfanylphenyl)-2-phenyl-3-[5-(2,4,5-trichlorophenyl)furan-2-yl]-3,4-dihydropyrazole",NA,"CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(O3)C4=CC(=C(C=C4Cl)Cl)Cl)C5=CC=CC=C5","VOZLQILKZRRSFN-UHFFFAOYSA-N",45027938,NA,"PDBC25990","740233","Present",NA,NA
+"25991","5-(4-Nitrophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Nitrophenyl)-1,3a-diphenyl-4,5-dihydro-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine",NA,"C1C(SC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]","HIAINHVVQMZDML-UHFFFAOYSA-N",384266,NA,"PDBC25991","673814","Present",NA,NA
+"25992","5-(4-Tert-butylphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl 4-chlorobenzyl sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(4-Tert-butylphenyl)-4-(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazol-3-yl 4-chlorobenzyl sulfide",NA,"CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC(=C3)C(F)(F)F)SCC4=CC=C(C=C4)Cl","SJVYQRBAHIOAHW-UHFFFAOYSA-N",342553,NA,"PDBC25992","379546","Present",NA,NA
+"25993","5-(5,6-Dihydro-4H-cyclopenta[d][1,3]diselenol-2-ylidene)[1,3]dithiolo[4,5-c][1,2,5]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(5,6-Dihydro-4H-cyclopenta[d][1,3]diselenol-2-ylidene)[1,3]dithiolo[4,5-c][1,2,5]thiadiazole",NA,"C1CC2=C(C1)[Se]C(=C3SC4=NSN=C4S3)[Se]2","JLIXGAIOXLIFBL-UHFFFAOYSA-N",392908,NA,"PDBC25993","694090","Present",NA,NA
+"25994","5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-10,13-dioxa-2,4,6,8-tetrathiatricyclo[7.4.0.03,7]tridec-3(7)-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(5,6-Dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-ylidene)-10,13-dioxa-2,4,6,8-tetrathiatricyclo[7.4.0.03,7]tridec-3(7)-ene",NA,"C1COC2C(O1)SC3=C(S2)SC(=C4SC5=C(S4)SCCS5)S3","YUFRAYWYOAFEQR-UHFFFAOYSA-N",391121,NA,"PDBC25994","689739","Present",NA,NA
+"25995","5-(5,6-Dihydroxy-2-naphthyl)salicylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(5,6-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid",NA,"C1=CC2=C(C=CC(=C2O)O)C=C1C3=CC(=C(C=C3)O)C(=O)O","QJRMBVHUIFAURR-UHFFFAOYSA-N",380856,NA,"PDBC25995","666596","Present",NA,NA
+"25996","5-(5,8-Dihydroxy-2-naphthyl)salicylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(5,8-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid",NA,"C1=CC2=C(C=CC(=C2C=C1C3=CC(=C(C=C3)O)C(=O)O)O)O","GUEWNLOSODPWHP-UHFFFAOYSA-N",380857,NA,"PDBC25996","666597","Present",NA,NA
+"25997","5-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)pentyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(5-Amino-4-(aminocarbonyl)-1H-imidazol-1-yl)pentyl acetate",NA,"CC(=O)OCCCCCN1C=NC(=C1N)C(=O)N","LIHFGRWIVOEQHJ-UHFFFAOYSA-N",385289,NA,"PDBC25997","676401","Present",NA,NA
+"25998","5-(5-Benzylidene-3-phenyl-4-oxothiazolidin-2-ylidenyl)-3-phenyl-4-oxothiazolidin-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(5-benzylidene-3-phenyl-4-oxothiazolidin-2-ylidenyl)-3...",NA,"C1=CC=C(C=C1)C=C2C(=O)N(C(=C3C(=O)N(C(=S)S3)C4=CC=CC=C4)S2)C5=CC=CC=C5","KCDZYHUYIJJEHO-SFDFKWKJSA-N",5472512,NA,"PDBC25998","719997","Present",NA,NA
+"25999","5-(5-Chloro-2-methylphenyl)-6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazolo[3,4-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(5-Chloro-2-methylphenyl)-6-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazolo[3,4-d]pyrimidin-4-one",NA,"CC1=C(C=C(C=C1)Cl)N2C(=NC3=C(C2=O)C=NN3C4=C5C=CC=C(C5=NC=C4)C(F)(F)F)C","STGHMGKZSQAMJM-UHFFFAOYSA-N",45027937,NA,"PDBC25999","740232","Present",NA,NA
+"26000","5-(5-Diazoimidazol-4-yl)-1H-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1h-1,2,4-triazole, 3-(4-diazo-4h-imidazol-5-yl)-",NA,"C1=NC(=[N+]=[N-])C(=N1)C2=NC=NN2","GCNHJMIFEBTWOD-UHFFFAOYSA-N",5e+05,NA,"PDBC26000","95448","Present",NA,NA
+"26001","5-(5-Ethyl-2-ethylsulfonyl-3-thienyl)-1,3,4-oxathiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(5-Ethyl-2-ethylsulfonyl-3-thienyl)-1,3,4-oxathiazol-2-one",NA,"CCC1=CC(=C(S1)S(=O)(=O)CC)C2=NSC(=O)O2","ISZFPBSHNMKTTE-UHFFFAOYSA-N",392970,NA,"PDBC26001","694212","Present",NA,NA
+"26002","5-(5-Phenyl-2-furyl)furan-2-carboxamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(5-phenyl-2-furyl)furan-2-carboxamidine",NA,"C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(O3)C(=N)N","NAHLSMVNTWVVPR-UHFFFAOYSA-N",155529186,NA,"PDBC26002","800291","Present",NA,NA
+"26003","5-(5-Thiophen-2-ylthiophen-2-yl)thiophene-2-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766348",NA,"C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C(=N)N","WVFFDNRLQKSADS-UHFFFAOYSA-N",123871792,NA,"PDBC26003","766348","Present",NA,NA
+"26004","5-(6,7-Dihydroxy-2-naphthyl)salicylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(6,7-Dihydroxynaphthalen-2-yl)-2-hydroxybenzoic acid",NA,"C1=CC2=CC(=C(C=C2C=C1C3=CC(=C(C=C3)O)C(=O)O)O)O","KDDWCZCIYASQHC-UHFFFAOYSA-N",380855,NA,"PDBC26004","666595","Present",NA,NA
+"26005","5-(6-Amino-2-bromo-purin-7-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Purine-6-amine,2-bromo-7-(2-deoxy-.beta.-D-erythropen...",NA,"C1C(C(OC1N2C=NC3=NC(=NC(=C32)N)Br)CO)O","JCSRFERGDSOOHT-UHFFFAOYSA-N",389510,NA,"PDBC26005","685797","Present",NA,NA
+"26006","5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol",NA,"CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)O","HGLRBQHXIBHZTD-UHFFFAOYSA-N",357475,NA,"PDBC26006","616360","Present",NA,NA
+"26007","5-(6-Aminopurin-9-yl)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z2689172039",NA,"C1=NC(=C2C(=N1)N(C=N2)CCCCC(=O)O)N","HJJJCCCOQLLMQD-UHFFFAOYSA-N",253167,NA,"PDBC26007","75749","Present",NA,NA
+"26008","5-(6-Bromo-2-chloroquinolin-3-yl)-3-(4-chlorophenyl)-1,2-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-chloro-3-[3-(4-chlorophenyl)isoxazol-5-yl]quinoline",NA,"C1=CC(=CC=C1C2=NOC(=C2)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)Cl","CEUNXCOKTDIRPE-UHFFFAOYSA-N",402201,NA,"PDBC26008","716092","Present",NA,NA
+"26009","5-(6-Mercapto-9H-purin-9-yl)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(6-Mercapto-9H-purin-9-yl)pentanoic acid",NA,"C1=NC(=S)C2=C(N1)N(C=N2)CCCCC(=O)O","HESBYUPLTBYGLR-UHFFFAOYSA-N",3246285,NA,"PDBC26009","75747","Present",NA,NA
+"26010","5-(6-Methoxy-napht-2-yl)-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(6-methoxy-napht-2-yl)-6-(3,4,5-trimethoxyphenyl)-2H-p...",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C3=C(C(=O)OC=C3)C4=CC(=C(C(=C4)OC)OC)OC","CHNLINNFYTYYMX-UHFFFAOYSA-N",24205789,NA,"PDBC26010","736735","Present",NA,NA
+"26011","5-(8-Heptadecenyl)-3-hydroxydihydro-2(3H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(8-Heptadecenyl)-3-hydroxydihydro-2(3H)-furanone",NA,"CCCCCCCCC=CCCCCCCCC1CC(C(=O)O1)O","PESDJELQYIQZBG-MDZDMXLPSA-N",5849606,NA,"PDBC26011","658584","Present",NA,NA
+"26012","5-(8-Quinolylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"US9320734, 345",NA,"C1=CC2=C(C(=C1)S(=O)(=O)NC3=NN=C(S3)S(=O)(=O)N)N=CC=C2","FZHGBFVLVKBLAD-UHFFFAOYSA-N",394907,NA,"PDBC26012","699000","Present",NA,NA
+"26013","5-(9-Acridinyl)-6-amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-(1H,3H)-Pyrimidinedione, 6-amino-5-(9-acridinyl)-1,3...",NA,"CN1C(=C(C(=O)N(C1=O)C)C2=C3C=CC=CC3=NC4=CC=CC=C42)N","XEJLVTZDXJPZJB-UHFFFAOYSA-N",372536,NA,"PDBC26013","647713","Present",NA,NA
+"26014","5-(9H-Pyrido[3,4-b]indol-1-yl)furan-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(9H-Pyrido[3,4-b]indol-1-yl)furan-2-carbaldehyde",NA,"C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=C(O4)C=O","QRFCAMFPXQKHAG-UHFFFAOYSA-N",381136,NA,"PDBC26014","667454","Present",NA,NA
+"26015","5-(9h-Xanthen-9-yl)quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(9h-Xanthen-9-yl)quinolin-8-ol",NA,"C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C4=C5C=CC=NC5=C(C=C4)O","NPKQVSMGLRUXGZ-UHFFFAOYSA-N",233057,NA,"PDBC26015","31127","Present",NA,NA
+"26016","5-(Acridin-9-ylamino)-4,6-dinitro-1,3-dihydrobenzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Acridin-9-ylamino)-4,6-dinitro-1,3-dihydrobenzimidazol-2-one",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=C(C=C5C(=C4[N+](=O)[O-])NC(=O)N5)[N+](=O)[O-]","RDKYVIGKOPILFC-UHFFFAOYSA-N",5472577,NA,"PDBC26016","720252","Present",NA,NA
+"26017","5-(Allyloxy)-6-(1-(4-methoxyphenyl)ethyl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzodioxole, 5-[1-(4-methoxyphenyl)ethyl]-6-(2-prop...",NA,"CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2OCC=C)OCO3","IZTASLRRHYCALV-UHFFFAOYSA-N",336858,NA,"PDBC26017","352692","Present",NA,NA
+"26018","5-(Aminomethyl)-1-benzyl-1H-imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Aminomethyl)-1-benzyl-1H-imidazole-4-carboxamide",NA,"C1=CC=C(C=C1)CN2C=NC(=C2CN)C(=O)N","GSGPOZKOZDNVBU-UHFFFAOYSA-N",362122,NA,"PDBC26018","625655","Present",NA,NA
+"26019","5-(Aminomethyl)-3-benzyltriazol-4-amine;phosphoric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,2,3-Triazole-4-methanamine, 5-amino-1-(phenylmethyl...",NA,"C1=CC=C(C=C1)CN2C(=C(N=N2)CN)N.OP(=O)(O)O","BPZJJIZBDPNQII-UHFFFAOYSA-N",3246626,NA,"PDBC26019","314885","Present",NA,NA
+"26020","5-(Aminomethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Aminomethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione",NA,"CN1C(=C(C(=O)N(C1=O)C)C=N)O","PSQJBLXBXDAINV-UHFFFAOYSA-N",351460,NA,"PDBC26020","521771","Present",NA,NA
+"26021","5-(Anthracen-1-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Barbituric acid, 5-(1-anthryl-methylene)-2-thio-",NA,"C1=CC=C2C=C3C(=CC2=C1)C=CC=C3C=C4C(=O)NC(=S)NC4=O","VZXTYHSPZZIJRW-UHFFFAOYSA-N",3246331,NA,"PDBC26021","90737","Present",NA,NA
+"26022","5-(Azidomethyl)-7-benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Azidomethyl)-7-benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine",NA,"CSC1=NC(=NC2=C1C(=C(N2CC3=CC=CC=C3)Br)CN=[N+]=[N-])SC","XMHIOTBEDIVQPV-UHFFFAOYSA-N",357263,NA,"PDBC26022","615451","Present",NA,NA
+"26023","5-(Benzenesulfinylmethyl)-6-bromo-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Benzenesulfinylmethyl)-6-bromo-1,3-benzodioxole",NA,"C1OC2=C(O1)C=C(C(=C2)CS(=O)C3=CC=CC=C3)Br","SLKBQJLCKPDTIH-UHFFFAOYSA-N",372800,NA,"PDBC26023","648423","Present",NA,NA
+"26024","5-(Benzenesulfonyl)-5-[5-(benzenesulfonyl)-3,4-dihydropyrazol-5-yl]-3,4-dihydropyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Benzenesulfonyl)-5-[5-(benzenesulfonyl)-3,4-dihydropyrazol-5-yl]-3,4-dihydropyrazole",NA,"C1CN=NC1(C2(CCN=N2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","VVNMPAFXHDPBIP-UHFFFAOYSA-N",361156,NA,"PDBC26024","623988","Present",NA,NA
+"26025","5-(Benzenesulfonyl)-6-[1-(benzenesulfonyl)ethyl]-3-benzyl-8,8-dimethoxy-3-azabicyclo[2.2.2]octan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-7,7-dimethoxy-6-(phenylsulfonyl)-5-(1-(phenylsulfonyl)ethyl)-2-azabicyclo[2.2.2]octan-3-one",NA,"CC(C1C2CC(C(C1S(=O)(=O)C3=CC=CC=C3)N(C2=O)CC4=CC=CC=C4)(OC)OC)S(=O)(=O)C5=CC=CC=C5","WVPBYIUYYAHSEX-UHFFFAOYSA-N",373095,NA,"PDBC26025","649015","Present",NA,NA
+"26026","5-(Benzenesulfonylmethyl)-3-hydroxy-tetrahydrofuran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Benzenesulfonylmethyl)-3-hydroxy-tetrahydrofuran-2-one",NA,"C1C(OC(=O)C1O)CS(=O)(=O)C2=CC=CC=C2","JHSRSXPMCNRLSD-UHFFFAOYSA-N",390944,NA,"PDBC26026","689197","Present",NA,NA
+"26027","5-(Benzothiazol-2-ylsulfanyl)-5-(4-chloro-phenyl)-2-cyano-pe nta-2,4-dienoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Benzothiazol-2-ylsulfanyl)-5-(4-chloro-phenyl)-2-cyan...",NA,"CCOC(=O)C(=CC=C(C1=CC=C(C=C1)Cl)SC2=NC3=CC=CC=C3S2)C#N","YNGHCTKDAMUIKL-OZKBIJRCSA-N",24203419,NA,"PDBC26027","727950","Present",NA,NA
+"26028","5-(Benzoylcarbamothioylamino)-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Benzoylcarbamothioylamino)-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide",NA,"C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(N=CN2C3C(C(C(O3)CO)O)O)C(=O)N","MIUNBHQVJPEDHM-UHFFFAOYSA-N",3004412,NA,"PDBC26028","651247","Present",NA,NA
+"26029","5-(Benzoyloxy)-7-methyl-3-octynyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Benzoyloxy)-7-methyl-3-octynyl benzoate",NA,"CC(C)CC(C#CCCOC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2","ONXLYCNPIAFKGG-UHFFFAOYSA-N",379014,NA,"PDBC26029","662778","Present",NA,NA
+"26030","5-(Benzylamino)-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-62055",NA,"C1CCN(C1)C2=NSC(=C2C#N)NCC3=CC=CC=C3","VHEWDTRKTBBPOH-UHFFFAOYSA-N",382961,NA,"PDBC26030","670865","Present",NA,NA
+"26031","5-(Benzylideneamino)-2,6-dimethyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Benzylideneamino)-2,6-dimethyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",NA,"CC1=NC2=NN(C=C2C(=O)N1N=CC3=CC=CC=C3)C","BSJWZIDTGSKZCY-OVCLIPMQSA-N",9571386,NA,"PDBC26031","651603","Present",NA,NA
+"26032","5-(Benzyloxy)-6,7-dimethoxy-1-(3-methoxyphenyl)isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Benzyloxy)-6,7-dimethoxy-1-(3-methoxyphenyl)isoquinoline",NA,"COC1=CC=CC(=C1)C2=NC=CC3=C(C(=C(C=C32)OC)OC)OCC4=CC=CC=C4","QJXHEJLNIVHTGG-UHFFFAOYSA-N",363319,NA,"PDBC26032","628139","Present",NA,NA
+"26033","5-(Bis(phenylthio)methyl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Bis(phenylthio)methyl)-1,3-benzodioxole",NA,"C1OC2=C(O1)C=C(C=C2)C(SC3=CC=CC=C3)SC4=CC=CC=C4","CTZRGBQIQAQJIM-UHFFFAOYSA-N",237752,NA,"PDBC26033","41550","Present",NA,NA
+"26034","5-(Bromo(diphenyl)stannyl)-1,2-pentanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Bromo(diphenyl)stannyl)-1,2-pentanediol",NA,"C1=CC=C(C=C1)[Sn](CCCC(CO)O)(C2=CC=CC=C2)Br","CMNJYRYJSUJZMX-UHFFFAOYSA-M",363587,NA,"PDBC26034","628583","Present",NA,NA
+"26035","5-(Bromomethyl)-2,4,6-trichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-0045592",NA,"C(C1=C(N=C(N=C1Cl)Cl)Cl)Br","MTJKSXNANQVPIO-UHFFFAOYSA-N",231053,NA,"PDBC26035","26539","Present",NA,NA
+"26036","5-(Bromomethyl)-4,6-dichloro-2-methylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 5-(bromomethyl)-4,6-dichloro-2-methyl-",NA,"CC1=NC(=C(C(=N1)Cl)CBr)Cl","QWXHEBBKNUXONN-UHFFFAOYSA-N",237260,NA,"PDBC26036","40594","Present",NA,NA
+"26037","5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Carboxymethyl)-1h-imidazole-4-carboxylic acid",NA,"C1=NC(=C(N1)CC(=O)O)C(=O)O","YYCWYISTCZGNPF-UHFFFAOYSA-N",237120,NA,"PDBC26037","40384","Present",NA,NA
+"26038","5-(Chloromethyl)-2,6-dihydroxy-4-pyrimidinecarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Chloromethyl)-2,6-dihydroxy-4-pyrimidinecarbaldehyde",NA,"C(C1=C(NC(=O)NC1=O)C=O)Cl","LIYSTICONMDDEZ-UHFFFAOYSA-N",381323,NA,"PDBC26038","667844","Present",NA,NA
+"26039","5-(Chloromethyl)-8-quinolinol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 5-(chloromethyl)-, hydrochloride",NA,"C1=CC2=C(C=CC(=C2N=C1)O)CCl.Cl","BDQGTRWOFVSOQX-UHFFFAOYSA-N",12269596,NA,"PDBC26039","83066","Present",NA,NA
+"26040","5-(Cyclohexylcarbonyl)-1-methyl-2(1H)-pyridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Cyclohexylcarbonyl)-1-methyl-2(1H)-pyridinone",NA,"CN1C=C(C=CC1=O)C(=O)C2CCCCC2","QTNCLPSGGBUFTI-UHFFFAOYSA-N",370863,NA,"PDBC26040","644596","Present",NA,NA
+"26041","5-(Cyclopropylamino)-5H-[1]benzopyrano[4,3-d]pyrimidine-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Cyclopropylamino)-5H-[1]benzopyrano[4,3-d]pyrimidine-2-amine",NA,"C1CC1NC2C3=CN=C(N=C3C4=CC=CC=C4O2)N","OWALIUZJENNSDY-UHFFFAOYSA-N",390590,NA,"PDBC26041","688113","Present",NA,NA
+"26042","5-(Cyclopropylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Cyclopropylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"C1CC1C=C2C(=O)NC(=S)NC2=O","YWPFYVBVXKFQLX-UHFFFAOYSA-N",3779937,NA,"PDBC26042","645853","Present",NA,NA
+"26043","5-(Diaminomethylideneamino)-2-[(10-methyl-9-oxoacridine-4-carbonyl)amino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-[(10-methyl-9-oxo-acridine-4-carbonyl)amino]pentanoic acid",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)O","BJODGLCFZGOYQP-UHFFFAOYSA-N",393797,NA,"PDBC26043","696565","Present",NA,NA
+"26044","5-(Diaminomethylideneamino)-2-[(10-methylacridin-10-ium-9-carbonyl)amino]pentanoic acid;methyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-[(10-methylacridin-10-ium-9-carbonyl)amino]pentanoic acid; methyl sulfate",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC(CCCN=C(N)N)C(=O)O.COS(=O)(=O)[O-]","MIVGLQUBVZOJLH-UHFFFAOYSA-N",393804,NA,"PDBC26044","696570","Present",NA,NA
+"26045","5-(Diaminomethylideneamino)-2-[(9-oxo-10H-acridine-4-carbonyl)amino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-[(9-oxo10h-acridine-4-carbonyl)amino]pentanoic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC(CCCN=C(N)N)C(=O)O","BXUDSAPVYRKZCP-UHFFFAOYSA-N",392349,NA,"PDBC26045","692633","Present",NA,NA
+"26046","5-(Diaminomethylideneamino)-2-[[4-[2-(dimethylamino)ethylcarbamoyl]-10-methylacridin-10-ium-9-yl]amino]pentanoic acid;methyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Diaminomethylideneamino)-2-[[4-[2-(dimethylamino)ethylcarbamoyl]-10-methylacridin-10-ium-9-yl]amino]pentanoic acid;methyl sulfate",NA,"C[N+]1=C2C(=C(C3=CC=CC=C31)NC(CCCN=C(N)N)C(=O)O)C=CC=C2C(=O)NCCN(C)C.COS(=O)(=O)[O-]","WXUBFCVFVIKQGS-UHFFFAOYSA-N",393800,NA,"PDBC26046","696568","Present",NA,NA
+"26047","5-(Diaminomethylideneamino)-2-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[4-(2-Dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-5-guanidino-pentanoic acid",NA,"CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CCCN=C(N)N)C(=O)O","CGDAZLQATRHGFV-UHFFFAOYSA-N",392354,NA,"PDBC26047","692638","Present",NA,NA
+"26048","5-(Diethylamino)-2-[2-[[4-(diethylamino)-2-oxidophenyl]methylideneamino]ethyliminomethyl]phenolate;manganese(3+);acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Diethylamino)-2-[2-[[4-(diethylamino)-2-oxidophenyl]methylideneamino]ethyliminomethyl]phenolate;manganese(3+);acetate",NA,"CCN(CC)C1=CC(=C(C=C1)C=NCCN=CC2=C(C=C(C=C2)N(CC)CC)[O-])[O-].CC(=O)[O-].[Mn+3]","FPDLFTKMPGLPIT-UHFFFAOYSA-K",369986,NA,"PDBC26048","642508","Present",NA,NA
+"26049","5-(Diethylamino)spiro[1,3,4,8b-tetrahydrobiphenylene-2,2'-1,3-dioxepane]-4a-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(diethylamino)spiro[1,3,4,8b-tetrahydrobiphenylene-2,2'-1,3-dioxepane]-4a-ol",NA,"CCN(CC)C1=CC=CC2=C1C3(C2CC4(CC3)OCCCCO4)O","ODPASZXSVHFLOL-UHFFFAOYSA-N",375521,NA,"PDBC26049","655300","Present",NA,NA
+"26050","5-(Diethylaminomethyl)-N-(4-methylphenyl)thiophene-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Diethylaminomethyl)-N-(4-methylphenyl)thiophene-2-carbothioamide",NA,"CCN(CC)CC1=CC=C(S1)C(=S)NC2=CC=C(C=C2)C","VGZSDIDFADXVJC-UHFFFAOYSA-N",5471261,NA,"PDBC26050","710018","Present",NA,NA
+"26051","5-(Dimethoxymethyl)-6-(2-methoxyvinyl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Dimethoxymethyl)-6-(2-methoxyvinyl)-1,3-benzodioxole",NA,"COC=CC1=CC2=C(C=C1C(OC)OC)OCO2","JDDUFNBYIHNLAO-SNAWJCMRSA-N",5386778,NA,"PDBC26051","617640","Present",NA,NA
+"26052","5-(Dimethoxymethyl)spiro[1,3,4,8b-tetrahydrobiphenylene-2,2'-1,3-dioxepane]-4a-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(dimethoxymethyl)spiro[1,3,4,8b-tetrahydrobiphenylene-2,2'-1,3-dioxepane]-4a-ol",NA,"COC(C1=CC=CC2=C1C3(C2CC4(CC3)OCCCCO4)O)OC","ZDHOWHXLBAQMIZ-UHFFFAOYSA-N",375529,NA,"PDBC26052","655308","Present",NA,NA
+"26053","5-(Dimethyl(phenyl)silyl)-1,3-cyclohexanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMACUKQNHLZFPY-UHFFFAOYSA-N",NA,"C[Si](C)(C1CC(=O)CC(=O)C1)C2=CC=CC=C2","AMACUKQNHLZFPY-UHFFFAOYSA-N",365024,NA,"PDBC26053","631959","Present",NA,NA
+"26054","5-(Dimethylamino)-2-((isopropylsulfonyl)oxy)-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Isoindole-1,3(2H)-dione, 5-(dimethylamino)-, 2-[[(1-m...",NA,"CC(C)S(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)N(C)C","XXQKIOMUHMJYFB-UHFFFAOYSA-N",364534,NA,"PDBC26054","630956","Present",NA,NA
+"26055","5-(Dimethylaminomethyl)-4,5-dihydrooxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Dimethylaminomethyl)-4,5-dihydrooxazol-2-amine",NA,"CN(C)CC1CN=C(O1)N","BRZARNCNCQHFGP-UHFFFAOYSA-N",396439,NA,"PDBC26055","702412","Present",NA,NA
+"26056","5-(Dimethylaminomethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Dimethylaminomethylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione",NA,"CN1C(=O)C(=CN(C)C)C(=O)N(C1=O)C","MKPRCBKEKIEJMJ-UHFFFAOYSA-N",319885,NA,"PDBC26056","265536","Present",NA,NA
+"26057","5-(Diphenylmethyl)-4H-1,2,4-triazole-3-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK394275",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=NC(=S)NN3","KXOBDTBTPWCGCP-UHFFFAOYSA-N",3004171,NA,"PDBC26057","634497","Present",NA,NA
+"26058","5-(Formylamino)-1,2,3-thiadiazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436984",NA,"C(=O)NC1=C(N=NS1)C(=O)N","GUNHXXAAPQZGMH-UHFFFAOYSA-N",389961,NA,"PDBC26058","686664","Present",NA,NA
+"26059","5-(Hexanoylamino)-1H-1,2,3-triazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Cyano-1H-1,2,3-triazol-4-yl)hexanamide",NA,"CCCCCC(=O)NC1=NNN=C1C#N","HUUXGMFZJBZFJU-UHFFFAOYSA-N",385090,NA,"PDBC26059","676017","Present",NA,NA
+"26060","5-(Hydrazinesulfonyl)benzene-1,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RTX-012089",NA,"C1=C(C=C(C=C1C(=O)O)S(=O)(=O)NN)C(=O)O","UWALZFACAZHTQM-UHFFFAOYSA-N",274548,NA,"PDBC26060","120634","Present",NA,NA
+"26061","5-(Hydroxy(oxido)amino)-3,4-diphenyl-2-furamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Hydroxy(oxido)amino)-3,4-diphenyl-2-furamide",NA,"C1=CC=C(C=C1)C2=C(OC(=C2C3=CC=CC=C3)[N+](=O)[O-])C(=O)N","DJBRPVCAYZZUSS-UHFFFAOYSA-N",338739,NA,"PDBC26061","362637","Present",NA,NA
+"26062","5-(Hydroxymethyl)-11-methyl-6H-pyrido(4,3-b)carbazole N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazole, 5-hydroxymethyl-11-methyl-, N...",NA,"CC1=C2C=NC=CC2=C(C3=C1C4=CC=CC=C4N3)COC(=O)NC","JEURWCFQOJUTQI-UHFFFAOYSA-N",130066,NA,"PDBC26062","610190","Present",NA,NA
+"26063","5-(Hydroxymethyl)-2-[6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]tetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Hydroxymethyl)-2-[6-[(1-methyl-2-phenyl-ethyl)amino]purin-9-yl]tetrahydrofuran-3-ol",NA,"CC(CC1=CC=CC=C1)NC2=C3C(=NC=N2)N(C=N3)C4C(CC(O4)CO)O","BFXHWITVJAUCOT-UHFFFAOYSA-N",496402,NA,"PDBC26063","688537","Present",NA,NA
+"26064","5-(Hydroxymethyl)-4-(methoxymethyl)-2-methyl-3-pyridinyl hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-6-[5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-yl]oxyoxane-3,4,5-triol",NA,"CC1=NC=C(C(=C1OC2C(C(C(C(O2)CO)O)O)O)COC)CO","OZAMFSFIKVSAHM-UHFFFAOYSA-N",367862,NA,"PDBC26064","638029","Present",NA,NA
+"26065","5-(Hydroxymethyl)-4-[[2-[[5-(hydroxymethyl)-2-methyl-3-oxido-pyridin-4-yl]methylideneamino]-4,5-dimethyl-phenyl]iminomethyl]-2-methyl-pyridin-3-olate; zinc(+2) cation",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[2-[[3-Hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylideneamino]-4,5-dimethylphenyl]iminomethyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol;zinc",NA,"CC1=CC(=C(C=C1C)N=CC2=C(C(=NC=C2CO)C)O)N=CC3=C(C(=NC=C3CO)C)O.[Zn]","AJXVDQHGXXUGID-UHFFFAOYSA-N",434431,NA,"PDBC26065","350363","Present",NA,NA
+"26066","5-(Hydroxymethyl)-4-triisopropylsilyloxy-bicyclo[2.2.2]octan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Hydroxymethyl)-4-triisopropylsilyloxy-bicyclo[2.2.2]octan-3-ol",NA,"CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1CO)CC2O","YONZTXUKJXVFES-UHFFFAOYSA-N",393382,NA,"PDBC26066","695215","Present",NA,NA
+"26067","5-(Hydroxymethyl)spiro[1,3-dihydroindene-2,2'-3,5,6,7-tetrahydro-1H-s-indacene]-1'-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[s-indacene-2(1H),2'-[2H]indene]-1-ol, 3,5,6,7,1',3...",NA,"C1CC2=CC3=C(C=C2C1)C(C4(C3)CC5=C(C4)C=C(C=C5)CO)O","BSHZCNKXGSJSNV-UHFFFAOYSA-N",385707,NA,"PDBC26067","677053","Present",NA,NA
+"26068","5-(Hydroxymethyl)thieno[3,2-f]benzothiophene-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Hydroxymethyl)thieno[3,2-f]benzothiophene-4,8-dione",NA,"C1=CSC2=C1C(=O)C3=C(C2=O)SC=C3CO","FNFXJHXQHUZVLI-UHFFFAOYSA-N",393648,NA,"PDBC26068","695913","Present",NA,NA
+"26069","5-(Iodomethyl)-N-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Iodomethyl)-N-(3-(trifluoromethyl)phenyl)-4,5-dihydro-1,3-thiazol-2-amine",NA,"C1C(SC(=N1)NC2=CC=CC(=C2)C(F)(F)F)CI","OAPJXVNUDRFACE-UHFFFAOYSA-N",389121,NA,"PDBC26069","684806","Present",NA,NA
+"26070","5-(Methoxymethoxy)pent-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Methoxymethoxy)pent-2-yn-1-ol",NA,"COCOCCC#CCO","RVYRWHDMPCKJID-UHFFFAOYSA-N",357773,NA,"PDBC26070","617296","Present",NA,NA
+"26071","5-(Methoxymethyl)-6-[(E)-2-nitrovinyl]-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Methoxymethyl)-6-[(E)-2-nitrovinyl]-1,3-benzodioxole",NA,"COCC1=CC2=C(C=C1C=C[N+](=O)[O-])OCO2","GTWAMVYOTJMGHJ-NSCUHMNNSA-N",5470338,NA,"PDBC26071","699777","Present",NA,NA
+"26072","5-(Methyloxime)-3-(4-methylphenyl)-isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(methyloxime)-3-(4-methylphenyl)-isoxazole",NA,"CC1=CC=C(C=C1)C2=NOC(=C2)C=NO","GFPHOIZCZHKQIZ-KPKJPENVSA-N",135436429,NA,"PDBC26072","723507","Present",NA,NA
+"26073","5-(Methylthio)-1H-imidazole-4-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Methylthio)-1H-imidazole-4-carbothioamide",NA,"CSC1=C(NC=N1)C(=S)N","LEDMGHFJOFGXGH-UHFFFAOYSA-N",3005221,NA,"PDBC26073","684041","Present",NA,NA
+"26074","5-(Morpholin-4-ylmethyl)-3-[(Z)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]-1,3-oxazolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Morpholin-4-ylmethyl)-3-[(Z)-[(E)-4-(5-nitrofuran-2-yl)but-3-en-2-ylidene]amino]-1,3-oxazolidin-2-one",NA,"CC(=NN1CC(OC1=O)CN2CCOCC2)C=CC3=CC=C(O3)[N+](=O)[O-]","CMVOURRLBQVUFZ-MLIGFJTESA-N",5922444,NA,"PDBC26074","21622","Present",NA,NA
+"26075","5-(Morpholinomethyl)-2-thiouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT017754",NA,"C1COCCN1CC2=CNC(=S)NC2=O","BGEPLLSIVTXHKF-UHFFFAOYSA-N",3021532,NA,"PDBC26075","708941","Present",NA,NA
+"26076","5-(N-(Tert-Butyl)-3-(3,4-dichlorophenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazole-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-N-(Tert-butylamino)-C-[(E)-2-(3,4-dichlorophenyl)ethenyl]carbonimidoyl]-4-methyl-1,3-thiazole-2-carbothioamide",NA,"CC1=C(SC(=N1)C(=S)N)C(=NNC(C)(C)C)C=CC2=CC(=C(C=C2)Cl)Cl","IGKLNQOKDASSRH-QLBRXNFHSA-N",5849298,NA,"PDBC26076","649832","Present",NA,NA
+"26077","5-(Naphthalen-1-yl)-1-phenyl-1h-tetrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Naphthalen-1-yl)-1-phenyl-1h-tetrazole",NA,"C1=CC=C(C=C1)N2C(=NN=N2)C3=CC=CC4=CC=CC=C43","VXVWZSOAJZOYJH-UHFFFAOYSA-N",232850,NA,"PDBC26077","30813","Present",NA,NA
+"26078","5-(Naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(naphthalen-2-yl)-1-(3,4,5-trimethoxyphenyl)-1H-imidazole",NA,"COC1=CC(=CC(=C1OC)OC)N2C=NC=C2C3=CC4=CC=CC=C4C=C3","VQIFHAGEERVOKJ-UHFFFAOYSA-N",24205849,NA,"PDBC26078","736992","Present",NA,NA
+"26079","5-(Phenyldiazenyl)-4-pyrenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Phenyldiazenyl)-4-pyrenol",NA,"C1=CC=C(C=C1)NN=C2C3=CC=CC4=C3C5=C(C=CC=C5C2=O)C=C4","BBGPNAYRLFLIKB-FLFQWRMESA-N",5880442,NA,"PDBC26079","97750","Present",NA,NA
+"26080","5-(Phenylhydrazinylidene)cyclohepta-3,6-diene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Phenyldiazenyl)tropolone",NA,"C1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)O","LWPCHBVDMXCYNP-UHFFFAOYSA-N",344925,NA,"PDBC26080","402083","Present",NA,NA
+"26081","5-(Phenylmethoxymethyl)-7-(1-pyrrolidinylmethyl)-8-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((benzyloxy)methyl)-7-(pyrrolidin-1-ylmethyl)quinolin-...",NA,"C1CCN(C1)CC2=CC(=C3C=CC=NC3=C2O)COCC4=CC=CC=C4","LTGLGIQQZXSLLF-UHFFFAOYSA-N",3426979,NA,"PDBC26081","782181","Present",NA,NA
+"26082","5-(Phenylsulfanylmethyl)-9-prop-1-ynyl-2-oxa-4-azabicyclo[3.3.1]nonan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Phenylsulfanylmethyl)-9-prop-1-ynyl-2-oxa-4-azabicyclo[3.3.1]nonan-3-one",NA,"CC#CC1C2CCCC1(NC(=O)O2)CSC3=CC=CC=C3","DBWGVWQPISWTRC-UHFFFAOYSA-N",358274,NA,"PDBC26082","618218","Present",NA,NA
+"26083","5-(Quinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Quinolin-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione;hydrochloride",NA,"C1=CC=C2C(=C1)C=CC(=N2)C=C3C(=O)NC(=S)NC3=O.Cl","IULYRWTYTJAVGX-UHFFFAOYSA-N",5466952,NA,"PDBC26083","645854","Present",NA,NA
+"26084","5-(Thiadiazol-4-yl)thiadiazole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Thiadiazol-4-yl)thiadiazole-4-carboxylic acid",NA,"C1=C(N=NS1)C2=C(N=NS2)C(=O)O","HJLSGKWGJGXWDF-UHFFFAOYSA-N",266333,NA,"PDBC26084","103773","Present",NA,NA
+"26085","5-(Trifluoromethyl)-7-(trifluoroacetyl)-2,3-dihydro-1H-naphtho[1,2-e][1,4]diazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Trifluoromethyl)-7-(trifluoroacetyl)-2,3-dihydro-1H-naphtho[1,2-e][1,4]diazepine",NA,"C1CN=C(C2=C(N1)C3=CC=CC=C3C(=C2)C(=O)C(F)(F)F)C(F)(F)F","OWVRHSXEAZMHNE-UHFFFAOYSA-N",135426734,NA,"PDBC26085","713215","Present",NA,NA
+"26086","5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Trifluoromethylsulfonylamino)-1,3,4-thiadiazole-2-sulfonamide",NA,"C1(=NN=C(S1)S(=O)(=O)N)NS(=O)(=O)C(F)(F)F","JHGJJWFACYMJQC-UHFFFAOYSA-N",395814,NA,"PDBC26086","700705","Present",NA,NA
+"26087","5-(Triphenylstannyl)-1,2-pentanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Triphenylstannyl)-1,2-pentanediol",NA,"C1=CC=C(C=C1)[Sn](CCCC(CO)O)(C2=CC=CC=C2)C3=CC=CC=C3","ZKNLSHBGOYBBHJ-UHFFFAOYSA-N",363586,NA,"PDBC26087","628582","Present",NA,NA
+"26088","5-(Trityloxy)-2-pentanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Trityloxy)-2-pentanol",NA,"CC(CCCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O","MSICOSWQOQACHW-UHFFFAOYSA-N",371698,NA,"PDBC26088","646148","Present",NA,NA
+"26089","5-(m-Chloro)benzylbarbituric Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(m-Chloro)benzylbarbituric Acid",NA,"C1=CC(=CC(=C1)Cl)CC2C(=O)NC(=O)NC2=O","PUIFVWYXDKEJMP-UHFFFAOYSA-N",389354,NA,"PDBC26089","685358","Present",NA,NA
+"26090","5-(m-Methoxy)benzylbarbituric Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(m-Methoxy)benzylbarbituric Acid",NA,"COC1=CC=CC(=C1)CC2C(=O)NC(=O)NC2=O","CFUKTJJTJRNUJB-UHFFFAOYSA-N",389353,NA,"PDBC26090","685356","Present",NA,NA
+"26091","5-(p-Aminobenzyl)-6-aminouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(p-Aminobenzyl)-6-aminouracil",NA,"C1=CC(=CC=C1CC2=C(NC(=O)NC2=O)N)N","BDDDMPONZRBSHW-UHFFFAOYSA-N",389516,NA,"PDBC26091","685807","Present",NA,NA
+"26092","5-(p-Anisylidene-3-phenyl-4-oxothiazolidenyl-3-phenyl-4-oxothiazolidin-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(p-anisylidene-3-phenyl-4-oxothiazolidenyl-3-phenyl-4-...",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=C3C(=O)N(C(=S)S3)C4=CC=CC=C4)S2)C5=CC=CC=C5","PTQKVEMIKFHZHU-ZQFJFUDDSA-N",5472514,NA,"PDBC26092","719999","Present",NA,NA
+"26093","5-(p-Chlorobenzylidene)-3-phenyl-2-[(1-phenyl-3,5-dimethylpyrazol-4-yl)methylidenehydrazono]thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(p-chlorobenzylidene)-3-phenyl-2-[(1-phenyl-3,5- dimet...",NA,"CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN=C3N(C(=O)C(=CC4=CC=C(C=C4)Cl)S3)C5=CC=CC=C5","CFANTLXTUQINTO-RCZXBRRHSA-N",9572522,NA,"PDBC26093","720057","Present",NA,NA
+"26094","5-(p-Chlorophenyl)-6,3-c)pyridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(p-chlorophenyl)-6,7-dihidrotieno(2,3-c)pyridin-7-one",NA,"C1=CC(=CC=C1C2=CC3=C(C(=O)N2)SC=C3)Cl","AZAFYOBDPHBAFY-UHFFFAOYSA-N",404696,NA,"PDBC26094","721140","Present",NA,NA
+"26095","5-(p-Nitrophenylazo)salicylic acid sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sodium p-nitrobenzeneazosalicylate",NA,"C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)[N+](=O)[O-].[Na+]","HXKKTXMJSVFQSL-UHFFFAOYSA-N",135436502,NA,"PDBC26095","4895","Present",NA,NA
+"26096","5-(trans-2-Carboxyvinyl)-uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"W-203158",NA,"C1=C(C(=O)NC(=O)N1)C=CC(=O)O","HFEXWXMEGUJTQB-OWOJBTEDSA-N",869183,NA,"PDBC26096","232002","Present",NA,NA
+"26097","5-({[4-(1,4,6(1H,3H,5H)-Trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-({[4-(1,3-benzoxazol-2-yl)phenyl]amino}methylene)pyrim...",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N=CC4=C(NC(=O)NC4=O)O","JXCWRPICUGKLBP-UHFFFAOYSA-N",135585463,NA,"PDBC26097","729797","Present",NA,NA
+"26098","5-Acetamido-1-(2-hydroxyethyl)imidazole-4-carboximidoyl cyanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetamido-1-(2-hydroxyethyl)imidazole-4-carboximidoyl cyanide",NA,"CC(=O)NC1=C(N=CN1CCO)C(=N)C#N","XRAMWFICARAAEO-UHFFFAOYSA-N",382609,NA,"PDBC26098","670250","Present",NA,NA
+"26099","5-Acetamido-2-[2-[6-[(E,2S,3R)-2-azido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetamido-2-[2-[6-[(E,2S,3R)-2-azido-3-hydroxyoctadec-4-enoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-c",NA,"CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC3(CC(C(C(O3)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)N=[N+]=[N-])O","KEFUAQNAAZVOFP-ZURXEJFCSA-N",5468565,NA,"PDBC26099","671689","Present",NA,NA
+"26100","5-Acetamido-2-[3-(2-aminoethylsulfanyl)propoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetamido-2-[3-(2-aminoethylsulfanyl)propoxy]-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid",NA,"CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCCCSCCN)O","LYIDDWUBUGYEMN-UHFFFAOYSA-N",364739,NA,"PDBC26100","631408","Present",NA,NA
+"26101","5-Acetoxymethyl-2-hydroxy-benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, 5-[(acetyloxy)methyl]-2-hydroxy-",NA,"CC(=O)OCC1=CC(=C(C=C1)O)C=O","ABDFNKIESMYSDT-UHFFFAOYSA-N",333488,NA,"PDBC26101","334704","Present",NA,NA
+"26102","5-Acetoxypalisadin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetoxypalisadin B",NA,"CC1=CC(C2C(C(CCC2(OC1CBr)C)Br)(C)C)OC(=O)C","SHAOOENYDOJZIP-MDLJMBGESA-N",395002,NA,"PDBC26102","699123","Present",NA,NA
+"26103","5-Acetyl-1,3,4-tetrakis(p-tolyl)bicyclo[2.2.1]hept-2-ene S-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-acetyl-1,2,3,4-tetrakis(p-tolyl)bicyclo[2.2.1]hept-2-e...",NA,"CC1=CC=C(C=C1)C2=C(C3(C(CC2(S3=O)C4=CC=C(C=C4)C)C(=O)C)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C","PJYZCZILKJORNU-UHFFFAOYSA-N",24205270,NA,"PDBC26103","734876","Present",NA,NA
+"26104","5-Acetyl-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-thioxo-pyrimidin-4-one",NA,"CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCC4","VFNYLORIPQNJFK-UHFFFAOYSA-N",396729,NA,"PDBC26104","703439","Present",NA,NA
+"26105","5-Acetyl-1-(4-chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-1-(4-chlorophenyl)-2-hydroxy-4-methylsulfanyl-6-oxo-pyridine-3-carbonitrile",NA,"CC(=O)C1=C(N(C(=O)C(=C1SC)C#N)C2=CC=C(C=C2)Cl)O","QJZUXANUTGNGPR-UHFFFAOYSA-N",392140,NA,"PDBC26105","692020","Present",NA,NA
+"26106","5-Acetyl-2,6-bis(diethylamino)-4-oxo-N-(2-pyridinyl)-4H-pyran-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-2,6-bis(diethylamino)-4-oxo-N-(2-pyridinyl)-4H-pyran-3-carboxamide",NA,"CCN(CC)C1=C(C(=O)C(=C(O1)N(CC)CC)C(=O)NC2=CC=CC=N2)C(=O)C","VLNLNLKEQJOCPM-UHFFFAOYSA-N",367818,NA,"PDBC26106","637893","Present",NA,NA
+"26107","5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-2-(3,4-dichlorophenylamino)-4-methylthiazole",NA,"CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C","KFCXPECMXMNCRG-UHFFFAOYSA-N",376952,NA,"PDBC26107","658147","Present",NA,NA
+"26108","5-Acetyl-2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methyl-2-pyridyl]disulfanyl]-4-(4-chlorophenyl)-6-methyl-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-2-[[5-acetyl-4-(4-chlorophenyl)-3-cyano-6-methylpyridin-2-yl]disulfanyl]-4-(4-chlorophenyl)-6-methylpyridine-3-carbonitrile",NA,"CC1=C(C(=C(C(=N1)SSC2=NC(=C(C(=C2C#N)C3=CC=C(C=C3)Cl)C(=O)C)C)C#N)C4=CC=C(C=C4)Cl)C(=O)C","NRGXHZADCWXWJI-UHFFFAOYSA-N",380529,NA,"PDBC26108","666142","Present",NA,NA
+"26109","5-Acetyl-2-hydroxy-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-2-hydroxy-4-methylsulfanyl-6-oxo-1-(p-tolyl)pyridine-3-carbonitrile",NA,"CC1=CC=C(C=C1)N2C(=C(C(=C(C2=O)C#N)SC)C(=O)C)O","WBKOBLUIKMKUTC-UHFFFAOYSA-N",392153,NA,"PDBC26109","692033","Present",NA,NA
+"26110","5-Acetyl-3,4-bis(4-chlorophenyl)-6(1H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-acetyl-3,4-bis(4-chlorophenyl)-6(1H)-pyridazinone",NA,"CC(=O)C1=C(C(=NNC1=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","VEKTYHRMOKSDMU-UHFFFAOYSA-N",439087,NA,"PDBC26110","719570","Present",NA,NA
+"26111","5-Acetyl-3-amino-6-methyl-N-naphthalen-1-ylthieno[2,3-b]pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-acetyl-3-amino-6-methyl-N-(naphthalen-1-yl)thieno[2,3-...",NA,"CC1=C(C=C2C(=C(SC2=N1)C(=O)NC3=CC=CC4=CC=CC=C43)N)C(=O)C","SUMCUKGTHJMNLG-UHFFFAOYSA-N",155812517,NA,"PDBC26111","794196","Present",NA,NA
+"26112","5-Acetyl-4-(2-furyl)-6-phenyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-(furan-2-yl)-6-phenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC(=O)C1=C(N(C(=S)C(=C1C2=CC=CO2)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","GYVNAZBJYGFDPO-UHFFFAOYSA-N",381217,NA,"PDBC26112","667553","Present",NA,NA
+"26113","5-Acetyl-4-(4-chlorophenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-(4-chlorophenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile",NA,"CC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)Cl)C#N)S)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","GOBIKVVJNRVUBD-UHFFFAOYSA-N",385429,NA,"PDBC26113","676609","Present",NA,NA
+"26114","5-Acetyl-4-(4-chlorophenyl)-6-phenyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667545///NSC667549",NA,"CC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","DBCGVOVTFXWQQV-UHFFFAOYSA-N",381211,NA,"PDBC26114","667545///667549","Present",NA,NA
+"26115","5-Acetyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-(4-methoxyphenyl)-6-methyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile",NA,"CC1=C(C(C(=C(N1C2C(C(C(C(O2)CO)O)O)O)S)C#N)C3=CC=C(C=C3)OC)C(=O)C","MOKDCOFWEUXMAT-UHFFFAOYSA-N",385428,NA,"PDBC26115","676608","Present",NA,NA
+"26116","5-Acetyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile",NA,"CC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)OC)C#N)S)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","NCJDOAWFILBTLX-UHFFFAOYSA-N",385427,NA,"PDBC26116","676607","Present",NA,NA
+"26117","5-Acetyl-4-amino-2-(4-methoxyanilino)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-amino-2-(4-methoxyanilino)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"CC(=O)C1=C(C(=C(N1)NC2=CC=C(C=C2)OC)C(=S)NC3=CC=CC=C3)N","AUGNKZZHJKWSRQ-UHFFFAOYSA-N",5472828,NA,"PDBC26117","721877","Present",NA,NA
+"26118","5-Acetyl-4-amino-2-(4-methylanilino)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-amino-2-(4-methylanilino)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"CC1=CC=C(C=C1)NC2=C(C(=C(N2)C(=O)C)N)C(=S)NC3=CC=CC=C3","GEPQJIYVENTJRF-UHFFFAOYSA-N",5472827,NA,"PDBC26118","721876","Present",NA,NA
+"26119","5-Acetyl-4-amino-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-amino-2-(benzylamino)-N-phenyl-1H-pyrrole-3-carbothioamide",NA,"CC(=O)C1=C(C(=C(N1)NCC2=CC=CC=C2)C(=S)NC3=CC=CC=C3)N","RYWIOEVALJHGGP-UHFFFAOYSA-N",5472829,NA,"PDBC26119","721878","Present",NA,NA
+"26120","5-Acetyl-4-amino-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-amino-N-phenyl-2-(propan-2-ylamino)-1H-pyrrole-3-carbothioamide",NA,"CC(C)NC1=C(C(=C(N1)C(=O)C)N)C(=S)NC2=CC=CC=C2","INLDOJMEBAEMQR-UHFFFAOYSA-N",5472831,NA,"PDBC26120","721880","Present",NA,NA
+"26121","5-Acetyl-4-amino-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-4-amino-N-phenyl-2-(propylamino)-1H-pyrrole-3-carbothioamide",NA,"CCCNC1=C(C(=C(N1)C(=O)C)N)C(=S)NC2=CC=CC=C2","KYOCBEICGNPNHZ-UHFFFAOYSA-N",5472830,NA,"PDBC26121","721879","Present",NA,NA
+"26122","5-Acetyl-5-hydroxy-1,2,3,4-tetraphenylbicyclo[2.2.1]hept-2-en-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-5-hydroxy-1,2,3,4-tetraphenylbicyclo[2.2.1]hept-2-en-7-one",NA,"CC(=O)C1(CC2(C(=C(C1(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)O","LYJAFKZHIMTMBN-UHFFFAOYSA-N",363199,NA,"PDBC26122","627874","Present",NA,NA
+"26123","5-Acetyl-6-(2-morpholin-4-ylethylsulfanyl)-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-6-(2-morpholinoethylsulfanyl)-1,3-diphenyl-2-thioxo-pyrimidin-4-one",NA,"CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCOCC4","KMLFGRLWEBHUFT-UHFFFAOYSA-N",396731,NA,"PDBC26123","703441","Present",NA,NA
+"26124","5-Acetyl-6-(acetyloxy)-2-methoxy-3-methyl-4-oxo-3,5,5a,6,7,8,9a,10-octahydro-4H-pyrano[3,2-g]pteridin-7-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-Acetyl-6-acetyloxy-2-methoxy-3-methyl-4-oxo-5a,6,7,8,9a,10-hexahydropyrano[3,2-g]pteridin-7-yl) acetate",NA,"CC(=O)N1C2C(C(COC2NC3=C1C(=O)N(C(=N3)OC)C)OC(=O)C)OC(=O)C","WMDUAQNMKYJNAK-UHFFFAOYSA-N",379346,NA,"PDBC26124","663893","Present",NA,NA
+"26125","5-Acetyl-6-[2-(azepan-1-yl)ethylsulfanyl]-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-6-[2-(azepan-1-yl)ethylsulfanyl]-1,3-diphenyl-2-thioxo-pyrimidin-4-one",NA,"CC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCCCC4","UDQDMTQJGNKLHB-UHFFFAOYSA-N",396730,NA,"PDBC26125","703440","Present",NA,NA
+"26126","5-Acetyl-6-[2-(diethylamino)ethylsulfanyl]-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-6-(2-diethylaminoethylsulfanyl)-1,3-diphenyl-2-thioxo-pyrimidin-4-one",NA,"CCN(CC)CCSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C","YSKOCGLOGUJUJS-UHFFFAOYSA-N",397937,NA,"PDBC26126","707006","Present",NA,NA
+"26127","5-Acetyl-6-methyl-4-(1-naphthyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667546///NSC667552",NA,"CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=CC4=CC=CC=C43)C(=O)C","QOLXSKVAIOOLDH-UHFFFAOYSA-N",381212,NA,"PDBC26127","667546///667552","Present",NA,NA
+"26128","5-Acetyl-7-[(E)-dimethylaminoazo]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-7-[(E)-dimethylaminoazo]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CC1CC(=O)NC2=C(N1C(=O)C)C=C(C=C2)N=NN(C)C","XCTVTCKRJJTLHD-UHFFFAOYSA-N",388603,NA,"PDBC26128","683611","Present",NA,NA
+"26129","5-Acetyl-N,N-diisopropyl-3-methoxy-2-(trimethylsilyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetyl-N,N-diisopropyl-3-methoxy-2-(trimethylsilyl)benzamide",NA,"CC(C)N(C(C)C)C(=O)C1=C(C(=CC(=C1)C(=O)C)OC)[Si](C)(C)C","PDQJEIWQJXPYQH-UHFFFAOYSA-N",394810,NA,"PDBC26129","698612","Present",NA,NA
+"26130","5-Acetylethenyl-2-phenylethynyl-thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetylethenyl-2-phenylethynyl-thiophene",NA,"CC(=O)C=CC1=CC=C(S1)C#CC2=CC=CC=C2","DXJVADADGFTKTH-VQHVLOKHSA-N",24205339,NA,"PDBC26130","735187","Present",NA,NA
+"26131","5-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetylspiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one",NA,"CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3=O)C5=C(CCC5)C=C4)C=C1","BAVJVRKSDTYFEZ-UHFFFAOYSA-N",385663,NA,"PDBC26131","677009","Present",NA,NA
+"26132","5-Acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid",NA,"CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C(=C5CCCC5=C4)C(=O)O)C=C1","JCJMWXVAWIPLTB-UHFFFAOYSA-N",385717,NA,"PDBC26132","677063","Present",NA,NA
+"26133","5-Allyl-2,4,6-trichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrimidine, 5-allyl-2,4,6-trichloro-",NA,"C=CCC1=C(N=C(N=C1Cl)Cl)Cl","RXPZJYKGHXZIEJ-UHFFFAOYSA-N",260780,NA,"PDBC26133","92494","Present",NA,NA
+"26134","5-Allyl-4-butyl-2-methyl-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Allyl-4-butyl-2-methyl-1,3-oxazole",NA,"CCCCC1=C(OC(=N1)C)CC=C","FZPOHNZVFUNVDI-UHFFFAOYSA-N",384230,NA,"PDBC26134","673646","Present",NA,NA
+"26135","5-Allyl-6-hydroxy-4,8-dimethyl-8,9-dihydro-2H-furo[2,3-h]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Allyl-6-hydroxy-4,8-dimethyl-8,9-dihydro-2H-furo[2,3-h]chromen-2-one",NA,"CC1CC2=C3C(=C(C(=C2O1)O)CC=C)C(=CC(=O)O3)C","YPWJPUFMLLHGQD-UHFFFAOYSA-N",362952,NA,"PDBC26135","627438","Present",NA,NA
+"26136","5-Allyl-6-isopropyl-1-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)hexahydro-1H-pyrrolo[3,4-c]isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,3-Trifluoro-2-methoxy-2-phenyl-1-(6-propan-2-yl-5-prop-2-enyl-3a,4,6,6a-tetrahydro-3H-pyrrolo[3,4-c][1,2]oxazol-1-yl)propan-1-one",NA,"CC(C)C1C2C(CN1CC=C)CON2C(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC","OQGASQZCWZYGPQ-UHFFFAOYSA-N",382714,NA,"PDBC26136","670363","Present",NA,NA
+"26137","5-Allyl-7-allylsulfanyl-imidazo[4,5-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyl 5-allyl-5H-imidazo[4,5-d]pyridazin-7-yl sulfide",NA,"C=CCN1C=C2C(=NC=N2)C(=N1)SCC=C","ITWNXMYDTSOYFI-UHFFFAOYSA-N",391410,NA,"PDBC26137","690583","Present",NA,NA
+"26138","5-Allyl-benzo[1,2-c",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Allyl-benzo[1,2-c",NA,"C=CCC1=C(C2=NSN=C2C3=NSN=C13)O","VTROZZMQOVZOOU-UHFFFAOYSA-N",135409158,NA,"PDBC26138","661218","Present",NA,NA
+"26139","5-Amino-1,4-B]pyrazin-7-ylcarbamic acid, 2-fluoroethyl ester, chloroformate, hydrate [20:4:15]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(-)Pyrido[3,4-b]pyrazin-7-ylcarbamic acid, 5-amino-1,2...",NA,"CC1C(=NC2=C(N=C(C=C2N1)NC(=O)OCCF)N)C3=CC=CC=C3.C(Cl)(Cl)Cl","LTVVRGOXJXZBGA-PPHPATTJSA-N",11969855,NA,"PDBC26139","628803","Present",NA,NA
+"26140","5-Amino-1-(1-naphthyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(1-naphthyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)C=CC=C2N3C(=C(NC3=O)C#N)N","ZVXSIDBMYNAEMC-UHFFFAOYSA-N",379272,NA,"PDBC26140","663778","Present",NA,NA
+"26141","5-Amino-1-(2-aminophenyl)imidazole-4-carboximidoyl cyanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(2-aminophenyl)imidazole-4-carboximidoyl cyanide",NA,"C1=CC=C(C(=C1)N)N2C=NC(=C2N)C(=N)C#N","JDQKMQOYSHJWBP-UHFFFAOYSA-N",382605,NA,"PDBC26141","670246","Present",NA,NA
+"26142","5-Amino-1-(2-hydroxyethyl)imidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(2-hydroxyethyl)imidazole-4-carbonitrile",NA,"C1=NC(=C(N1CCO)N)C#N","OQPCBAOEGJSMMD-UHFFFAOYSA-N",382607,NA,"PDBC26142","670248","Present",NA,NA
+"26143","5-Amino-1-(2-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(2-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile",NA,"CC1=CC=CC=C1N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CC=C3","CGLLDXPMBRKPBR-UHFFFAOYSA-N",387727,NA,"PDBC26143","681756","Present",NA,NA
+"26144","5-Amino-1-(4-aminophenyl)imidazole-4-carboximidoyl cyanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(4-aminophenyl)imidazole-4-carboximidoyl cyanide",NA,"C1=CC(=CC=C1N)N2C=NC(=C2N)C(=N)C#N","YILGMKZJRUVDBH-UHFFFAOYSA-N",382606,NA,"PDBC26144","670247","Present",NA,NA
+"26145","5-Amino-1-(4-chlorophenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(4-chlorophenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile",NA,"C1=CC(=CC=C1N2C(=C(NC2=O)C#N)N)Cl","GLSYKEBJFKRXOC-UHFFFAOYSA-N",379271,NA,"PDBC26145","663777","Present",NA,NA
+"26146","5-Amino-1-(4-methoxyphenyl)-2-(3-nitrophenyl)-2H-pyrrole-3,3,4-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-3,3,4-tricarbonitrile, 5-amino-2,3-dihydro- 1...",NA,"COC1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]","RFHSTAWCVDYMAA-UHFFFAOYSA-N",387729,NA,"PDBC26146","681758","Present",NA,NA
+"26147","5-Amino-1-(4-methoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(4-methoxyphenyl)-2-oxo-2,3-dihydro-1H-imidazole-4-carbonitrile",NA,"COC1=CC=C(C=C1)N2C(=C(NC2=O)C#N)N","WGEVTRVKZCXMIO-UHFFFAOYSA-N",379270,NA,"PDBC26147","663776","Present",NA,NA
+"26148","5-Amino-1-(4-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(4-methylphenyl)-2-phenyl-1,2-dihydro-3H-pyrrole-3,3,4-tricarbonitrile",NA,"CC1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CC=C3","KDTSMCAADIFKJZ-UHFFFAOYSA-N",387728,NA,"PDBC26148","681757","Present",NA,NA
+"26149","5-Amino-1-(isopropylideneamino)imidazole-4-carboximidoyl cyanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-(isopropylideneamino)imidazole-4-carboximidoyl cyanide",NA,"CC(=NN1C=NC(=C1N)C(=N)C#N)C","IMEMQPMTLTXEMV-UHFFFAOYSA-N",377748,NA,"PDBC26149","659339","Present",NA,NA
+"26150","5-Amino-1-[(E)-4-hydroxybut-2-enyl]imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-[(E)-4-hydroxybut-2-enyl]imidazole-4-carboxamide",NA,"C1=NC(=C(N1CC=CCO)N)C(=O)N","YLWXZRVDVVGLCX-OWOJBTEDSA-N",5798765,NA,"PDBC26150","676398","Present",NA,NA
+"26151","5-Amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]pyrazole-4-carbonitrile",NA,"C1=CC(=CC=C1N2C=C(C(=N2)C(=O)N3C(=C(C=N3)C#N)N)O)Cl","QSXIDUKAGCAOKB-UHFFFAOYSA-N",46865790,NA,"PDBC26151","748382","Present",NA,NA
+"26152","5-Amino-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carbohydrazide",NA,"C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)N3C(=C(C=N3)C(=O)NN)N","GOLZEMHGBXXGLS-UHFFFAOYSA-N",45027941,NA,"PDBC26152","740237","Present",NA,NA
+"26153","5-Amino-1-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazole-4-carboxamide",NA,"C1CC(C1)(CN2C=NC(=C2N)C(=O)N)CO","TWXXWZQLHZZNLU-UHFFFAOYSA-N",385288,NA,"PDBC26153","676400","Present",NA,NA
+"26154","5-Amino-1-methyl-1H-imidazole-4-carboselenoamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-AMINO-1-METHYL-1H-IMIDAZOLE-4-CARBOSELENOAMIDE",NA,"CN1C=NC(=C1N)C(=N)[Se]","LIPTURHETALGSL-UHFFFAOYSA-N",6327958,NA,"PDBC26154","251219","Present",NA,NA
+"26155","5-Amino-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-methyl-2-methylsulfanyl-4,5-dihydroimidazole-4-carboxamide",NA,"CN1C(C(N=C1SC)C(=O)N)N","DRKDLJXEVBDUMO-UHFFFAOYSA-N",381398,NA,"PDBC26155","667942","Present",NA,NA
+"26156","5-Amino-1-methyl-3-phenacylimidazol-1-ium-4-carboxamide;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-5-carbamoyl-3-methyl-1-(2-oxo-2-phenylethyl)-1H-imidazol-3-ium bromide",NA,"C[N+]1=CN(C(=C1N)C(=O)N)CC(=O)C2=CC=CC=C2.[Br-]","UYPOZFFHXZNKCJ-UHFFFAOYSA-N",369520,NA,"PDBC26156","641317","Present",NA,NA
+"26157","5-Amino-1-phenyl-1H-imidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-1-phenyl-1H-imidazole-4-carbonitrile",NA,"C1=CC=C(C=C1)N2C=NC(=C2N)C#N","QLWSVYXOJPTUPR-UHFFFAOYSA-N",382608,NA,"PDBC26157","670249","Present",NA,NA
+"26158","5-Amino-1-pyridin-3-ylpentan-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anabaseine dihydrochloride",NA,"C1=CC(=CN=C1)C(=O)CCCCN.Cl","ABDCAGGFFYBQLM-UHFFFAOYSA-N",375174,NA,"PDBC26158","654510","Present",NA,NA
+"26159","5-Amino-13,14-dihydroxy-9-methyl-15-oxa-4,6,9-triaza-2-azoniatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4-trien-7-one;4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-13,14-dihydroxy-9-methyl-15-oxa-4,6,9-triaza-2-azoniatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4-trien-7-one;4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=[N+](C3C(C(C(C2)O3)O)O)C4=C1C(=O)NC(=N4)N","CFHVDXCZGFIAKR-UHFFFAOYSA-N",135439968,NA,"PDBC26159","621609","Present",NA,NA
+"26160","5-Amino-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-15-[2-(dimethylamino)ethyl]-10-[2-(dimethylamino)ethylamino]-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione",NA,"CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)N)CCN(C)C","HVGHXUABOZQFRM-UHFFFAOYSA-N",394871,NA,"PDBC26160","698960","Present",NA,NA
+"26161","5-Amino-1H-1,2,4-triazol-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".delta.(2)-1,2,4-triazolin-5-one, 3-amino- (8ci)",NA,"C1(=NNC(=O)N1)N","XOHBRLLZSIGHDE-UHFFFAOYSA-N",135481969,NA,"PDBC26161","138436","Present",NA,NA
+"26162","5-Amino-2,7-dioxo-4-phenyl-1,3,4,7-tetrahydro-2H-pyrano[4,3-b]pyridine-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2,7-dioxo-4-phenyl-1,3,4,7-tetrahydro-2H-pyrano[4,3-b]pyridine-8-carbonitrile",NA,"C1C(C2=C(OC(=O)C(=C2NC1=O)C#N)N)C3=CC=CC=C3","PEUSHLRJQDYQSJ-UHFFFAOYSA-N",381860,NA,"PDBC26162","669030","Present",NA,NA
+"26163","5-Amino-2-((phenylsulfonyl)oxy)-1H-isoindole-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-((phenylsulfonyl)oxy)-1H-isoindole-1,3(2H)-dione",NA,"C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(C2=O)C=C(C=C3)N","KCINQILOFODTIY-UHFFFAOYSA-N",342608,NA,"PDBC26163","379673","Present",NA,NA
+"26164","5-Amino-2-(1,3-dithian-2-yl)-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(1,3-dithian-2-yl)-1,3-oxazole-4-carbonitrile",NA,"C1CSC(SC1)C2=NC(=C(O2)N)C#N","LNBXRKMFFMQZKG-UHFFFAOYSA-N",391478,NA,"PDBC26164","690683","Present",NA,NA
+"26165","5-Amino-2-(1-hydroxyethyl)-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(1-hydroxyethyl)-1,3-oxazole-4-carbonitrile",NA,"CC(C1=NC(=C(O1)N)C#N)O","SYMUQHKKDUWVGJ-UHFFFAOYSA-N",389107,NA,"PDBC26165","684792","Present",NA,NA
+"26166","5-Amino-2-(1-naphthylamino)-1,3-thiazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(1-naphthylamino)-1,3-thiazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)C=CC=C2NC3=NC(=C(S3)N)C#N","FBQGUKYMSRIVNJ-UHFFFAOYSA-N",367983,NA,"PDBC26166","638201","Present",NA,NA
+"26167","5-Amino-2-(2,2,5,5-tetramethyl-tetrahydro-1,3,4,6,8-pentaoxa-cyclopenta[a]inden-8a-yl)-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[6.4.0.02,6]dodecan-6-yl)-1,3-oxazole-4-carbonitrile",NA,"CC1(OCC2C(O1)C3C(O2)(OC(O3)(C)C)C4=NC(=C(O4)N)C#N)C","HZQUCEPQNXRVFR-UHFFFAOYSA-N",389104,NA,"PDBC26167","684789","Present",NA,NA
+"26168","5-Amino-2-(2-(1-pyrrolidinyl)ethyl)-1H-benzo(de)isoquinoline-1,3(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[de]isoquinoline-1,3(2H)-dione, 5-amino-2-[2-(1-p...",NA,"C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)N","TXYIFVDECCPRPY-UHFFFAOYSA-N",328774,NA,"PDBC26168","308849","Present",NA,NA
+"26169","5-Amino-2-(2-benzyloxy-ethoxymethyl)-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(2-benzyloxy-ethoxymethyl)-oxazole-4-carbonitrile",NA,"C1=CC=C(C=C1)COCCOCC2=NC(=C(O2)N)C#N","VYCLCJXYEKSVNH-UHFFFAOYSA-N",377502,NA,"PDBC26169","658986","Present",NA,NA
+"26170","5-Amino-2-(2-ethoxyanilino)benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-o-phenetidinobenzenesulfonic acid",NA,"CCOC1=CC=CC=C1NC2=C(C=C(C=C2)N)S(=O)(=O)O","YRLCWCSMBOVTJM-UHFFFAOYSA-N",224976,NA,"PDBC26170","13970","Present",NA,NA
+"26171","5-Amino-2-(2-furyl)-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(2-furyl)-1,3-oxazole-4-carbonitrile",NA,"C1=COC(=C1)C2=NC(=C(O2)N)C#N","KRWPUSANHUBCKR-UHFFFAOYSA-N",377498,NA,"PDBC26171","658982","Present",NA,NA
+"26172","5-Amino-2-(2-hydroxyphenyl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(2-hydroxyphenyl)oxazole-4-carbonitrile",NA,"C1=CC=C(C(=C1)C2=NC(=C(O2)N)C#N)O","FFJQYSRFTLWTPX-UHFFFAOYSA-N",391477,NA,"PDBC26172","690682","Present",NA,NA
+"26173","5-Amino-2-(2-methoxyethoxymethyl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(2-methoxyethoxymethyl)oxazole-4-carbonitrile",NA,"COCCOCC1=NC(=C(O1)N)C#N","HJPDBFMRNGBQID-UHFFFAOYSA-N",389097,NA,"PDBC26173","684782","Present",NA,NA
+"26174","5-Amino-2-(2-pyridinyl)-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(2-pyridinyl)-1,3-oxazole-4-carbonitrile",NA,"C1=CC=NC(=C1)C2=NC(=C(O2)N)C#N","QMNWBDGIVJGJGS-UHFFFAOYSA-N",386974,NA,"PDBC26174","680216","Present",NA,NA
+"26175","5-Amino-2-(2-thienyl)-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(2-thienyl)-1,3-oxazole-4-carbonitrile",NA,"C1=CSC(=C1)C2=NC(=C(O2)N)C#N","VWTYSDBXQIIJJT-UHFFFAOYSA-N",385626,NA,"PDBC26175","676966","Present",NA,NA
+"26176","5-Amino-2-(2-thienylmethyl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(thiophen-2-ylmethyl)-1,3-oxazole-4-carbonitrile",NA,"C1=CSC(=C1)CC2=NC(=C(O2)N)C#N","PDNOMEBMAZBSIA-UHFFFAOYSA-N",391483,NA,"PDBC26176","690688","Present",NA,NA
+"26177","5-Amino-2-(3,5-dinitrophenyl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(3,5-dinitrophenyl)-1,3-oxazole-4-carbonitrile",NA,"C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C2=NC(=C(O2)N)C#N","JZKUHPIUQMZFOF-UHFFFAOYSA-N",377505,NA,"PDBC26177","658989","Present",NA,NA
+"26178","5-Amino-2-(3-thienyl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-thiophen-3-yl-1,3-oxazole-4-carbonitrile",NA,"C1=CSC=C1C2=NC(=C(O2)N)C#N","YSZOHWNWFJHYHD-UHFFFAOYSA-N",391484,NA,"PDBC26178","690689","Present",NA,NA
+"26179","5-Amino-2-(4-chloroanilino)-1,3-thiazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(4-chloroanilino)-1,3-thiazole-4-carbonitrile",NA,"C1=CC(=CC=C1NC2=NC(=C(S2)N)C#N)Cl","QJEGJEJZNHISLK-UHFFFAOYSA-N",367981,NA,"PDBC26179","638199","Present",NA,NA
+"26180","5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(4-cyanophenyl)oxazole-4-carbonitrile",NA,"C1=CC(=CC=C1C#N)C2=NC(=C(O2)N)C#N","BZMLXJFTRHKSLB-UHFFFAOYSA-N",377497,NA,"PDBC26180","658981","Present",NA,NA
+"26181","5-Amino-2-(4-methoxyanilino)-1,3-thiazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(4-methoxyanilino)-1,3-thiazole-4-carbonitrile",NA,"COC1=CC=C(C=C1)NC2=NC(=C(S2)N)C#N","OQUNZTFZBABXOM-UHFFFAOYSA-N",367980,NA,"PDBC26181","638198","Present",NA,NA
+"26182","5-Amino-2-(4-methoxybenzylidene)-6-(1-piperidinyl)-2,8-dihydroimidazo[1,2-a]pyrimidine-3,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(4-methoxybenzylidene)-6-(1-piperidinyl)-2,8-dihydroimidazo[1,2-a]pyrimidine-3,7-dione",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C(=C(C(=O)N=C3N2)N4CCCCC4)N","FYLMTQNHJHEYSI-KAMYIIQDSA-N",5938657,NA,"PDBC26182","684393","Present",NA,NA
+"26183","5-Amino-2-(4-nitrophenyl)-2H-furan-3,3,4-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furan-3,3,4-tricarbonitrile, 5-amino-2,3-dihydro- 2-(4-n...",NA,"C1=CC(=CC=C1C2C(C(=C(O2)N)C#N)(C#N)C#N)[N+](=O)[O-]","NPCAWLJGJWCOSP-UHFFFAOYSA-N",387794,NA,"PDBC26183","681866","Present",NA,NA
+"26184","5-Amino-2-(5-oxotetrahydrofuran-2-yl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(5-oxotetrahydrofuran-2-yl)oxazole-4-carbonitrile",NA,"C1CC(=O)OC1C2=NC(=C(O2)N)C#N","JGCHEUKXSBUYLA-UHFFFAOYSA-N",391475,NA,"PDBC26184","690680","Present",NA,NA
+"26185","5-Amino-2-(benzyloxymethyl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(benzyloxymethyl)oxazole-4-carbonitrile",NA,"C1=CC=C(C=C1)COCC2=NC(=C(O2)N)C#N","INXWPKXPEASLEZ-UHFFFAOYSA-N",388803,NA,"PDBC26185","683890","Present",NA,NA
+"26186","5-Amino-2-(benzylsulfanylmethyl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(benzylsulfanylmethyl)oxazole-4-carbonitrile",NA,"C1=CC=C(C=C1)CSCC2=NC(=C(O2)N)C#N","GBFRWDKLVJUCNQ-UHFFFAOYSA-N",391649,NA,"PDBC26186","691193","Present",NA,NA
+"26187","5-Amino-2-(butylamino)-1,3-thiazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(butylamino)-1,3-thiazole-4-carbonitrile",NA,"CCCCNC1=NC(=C(S1)N)C#N","LWXGIRSNQBRIDC-UHFFFAOYSA-N",367979,NA,"PDBC26187","638197","Present",NA,NA
+"26188","5-Amino-2-(cyanomethyl)-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(cyanomethyl)-1,3-oxazole-4-carbonitrile",NA,"C(C#N)C1=NC(=C(O1)N)C#N","AFJMLHQKCDXMRA-UHFFFAOYSA-N",391651,NA,"PDBC26188","691195","Present",NA,NA
+"26189","5-Amino-2-(diethoxyphosphorylmethyl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(diethoxyphosphorylmethyl)oxazole-4-carbonitrile",NA,"CCOP(=O)(CC1=NC(=C(O1)N)C#N)OCC","KZJQIAKEVUOJKT-UHFFFAOYSA-N",386973,NA,"PDBC26189","680215","Present",NA,NA
+"26190","5-Amino-2-(methoxymethyl)-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-(methoxymethyl)-1,3-oxazole-4-carbonitrile",NA,"COCC1=NC(=C(O1)N)C#N","PMBKWQNVSZSTJV-UHFFFAOYSA-N",377496,NA,"PDBC26190","658980","Present",NA,NA
+"26191","5-Amino-2-(methylamino)-1,3-thiazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-CM005582",NA,"CNC1=NC(=C(S1)N)C(=O)N","AUUMSCGUNURINM-UHFFFAOYSA-N",381397,NA,"PDBC26191","667941","Present",NA,NA
+"26192","5-Amino-2-(pyrazin-2-yl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH1961578",NA,"C1=CN=C(C=N1)C2=NC(=C(O2)N)C#N","KREXZPSKNFVUNB-UHFFFAOYSA-N",391481,NA,"PDBC26192","690686","Present",NA,NA
+"26193","5-Amino-2-(trifluoromethyl)oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C5H2F3N3O",NA,"C(#N)C1=C(OC(=N1)C(F)(F)F)N","MIYSEUWDQIMHAU-UHFFFAOYSA-N",389102,NA,"PDBC26193","684787","Present",NA,NA
+"26194","5-Amino-2-[(1,3-dioxoisoindolin-2-yl)methyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[(1,3-dioxoisoindolin-2-yl)methyl]oxazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=C(O3)N)C#N","KCQGPJIOLVYPSH-UHFFFAOYSA-N",391648,NA,"PDBC26194","691192","Present",NA,NA
+"26195","5-Amino-2-[(10-methyl-9-oxoacridine-4-carbonyl)amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[(10-methyl-9-oxo-acridine-4-carbonyl)amino]-5-oxo-pentanoic acid",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C(=CC=C3)C(=O)NC(CCC(=O)N)C(=O)O","GUTPPHJZEXNFQM-UHFFFAOYSA-N",393798,NA,"PDBC26195","696566","Present",NA,NA
+"26196","5-Amino-2-[(10-oxidoacridin-10-ium-9-yl)amino]-5-oxo-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[(10-oxidoacridin-10-ium-9-yl)amino]-5-oxo-pentanoic acid",NA,"C1=CC=C2C(=C1)C(=NC(CCC(=O)N)C(=O)O)C3=CC=CC=C3N2O","NXTITAQLWHKQTE-UHFFFAOYSA-N",494618,NA,"PDBC26196","627899","Present",NA,NA
+"26197","5-Amino-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]-5-oxo-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]-5-oxo-pentanoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC(CCC(=O)N)C(=O)O","GICJSHZCIMYWAS-UHFFFAOYSA-N",494612,NA,"PDBC26197","627893","Present",NA,NA
+"26198","5-Amino-2-[(3R)-3-[(3S,8R,9S,10S,12R,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl]-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"24-Norcholan-3,12-diol, 23-(5-amino-4-cyano-2-oxazolyl)-...",NA,"CC(CCC1=NC(=C(O1)N)C#N)C2CCC3C2(C(CC4C3CCC5C4(CCC(C5)O)C)O)C","PEOWSKIBKZKDAY-HEIVMAJXSA-N",389348,NA,"PDBC26198","685301","Present",NA,NA
+"26199","5-Amino-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]pentanoic acid",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)O)C=NC(CCCN)C(=O)O","GJNDKYGWYBOLBL-UHFFFAOYSA-N",375075,NA,"PDBC26199","653959","Present",NA,NA
+"26200","5-Amino-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[(E)-2-(2-thienyl)vinyl]oxazole-4-carbonitrile",NA,"C1=CSC(=C1)C=CC2=NC(=C(O2)N)C#N","NTHGIGOBUZDYAA-ONEGZZNKSA-N",5469599,NA,"PDBC26200","690687","Present",NA,NA
+"26201","5-Amino-2-[(E)-2-(3-pyridyl)vinyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[(E)-2-(3-pyridyl)vinyl]oxazole-4-carbonitrile",NA,"C1=CC(=CN=C1)C=CC2=NC(=C(O2)N)C#N","HOWWBXYQVPMKJY-ONEGZZNKSA-N",5469248,NA,"PDBC26201","684786","Present",NA,NA
+"26202","5-Amino-2-[(E)-2-(5-amino-4-cyano-oxazol-2-yl)vinyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[(E)-2-(5-amino-4-cyano-oxazol-2-yl)vinyl]oxazole-4-carbonitrile",NA,"C(=CC1=NC(=C(O1)N)C#N)C2=NC(=C(O2)N)C#N","ONPUYWPORWWFMM-OWOJBTEDSA-N",5467775,NA,"PDBC26202","658983","Present",NA,NA
+"26203","5-Amino-2-[(E)-styryl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[(E)-styryl]oxazole-4-carbonitrile",NA,"C1=CC=C(C=C1)C=CC2=NC(=C(O2)N)C#N","APQLOEQOOKSCNV-VOTSOKGWSA-N",5469294,NA,"PDBC26203","685299","Present",NA,NA
+"26204","5-Amino-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]oxazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC(=C(O3)N)C#N","ABGPKENFJQRORB-UHFFFAOYSA-N",389298,NA,"PDBC26204","685118","Present",NA,NA
+"26205","5-Amino-2-[2-(5-amino-4-cyano-oxazol-2-yl)ethyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[2-(5-amino-4-cyano-oxazol-2-yl)ethyl]oxazole-4-carbonitrile",NA,"C(CC1=NC(=C(O1)N)C#N)C2=NC(=C(O2)N)C#N","SQXDFYZUNBZLQW-UHFFFAOYSA-N",377500,NA,"PDBC26205","658984","Present",NA,NA
+"26206","5-Amino-2-[2-[(4-methoxyphenyl)methoxy]ethoxymethyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[2-[(4-methoxyphenyl)methoxy]ethoxymethyl]oxazole-4-carbonitrile",NA,"COC1=CC=C(C=C1)COCCOCC2=NC(=C(O2)N)C#N","XNSTVXJCIWZJHA-UHFFFAOYSA-N",390379,NA,"PDBC26206","687721","Present",NA,NA
+"26207","5-Amino-2-[2-[4-[2-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[2-[4-[2-(5-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)ethyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione;hydrochloride",NA,"C1CN(CCN1CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)N)CCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)N.Cl","NXATZHTWWPFXQJ-UHFFFAOYSA-N",357366,NA,"PDBC26207","615800","Present",NA,NA
+"26208","5-Amino-2-[3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCCC3=NC(=C(O3)N)C#N","NGDAOSGTADPYMS-UHFFFAOYSA-N",389299,NA,"PDBC26208","685119","Present",NA,NA
+"26209","5-Amino-2-[3-(5-amino-4-cyano-oxazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[3-(5-amino-4-cyano-oxazol-2-yl)-3-(1,3-dioxoisoindolin-2-yl)propyl]oxazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)C(CCC3=NC(=C(O3)N)C#N)C4=NC(=C(O4)N)C#N","LOXUYMJPHFXZRY-UHFFFAOYSA-N",389100,NA,"PDBC26209","684785","Present",NA,NA
+"26210","5-Amino-2-[4-(5-amino-4-cyano-oxazol-2-yl)phenyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[4-(5-amino-4-cyano-oxazol-2-yl)phenyl]oxazole-4-carbonitrile",NA,"C1=CC(=CC=C1C2=NC(=C(O2)N)C#N)C3=NC(=C(O3)N)C#N","FUIKFJDTHFOXPD-UHFFFAOYSA-N",377501,NA,"PDBC26210","658985","Present",NA,NA
+"26211","5-Amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[5-(1,3-dioxoisoindolin-2-yl)pentyl]oxazole-4-carbonitrile",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCCC3=NC(=C(O3)N)C#N","NFVBJVZDEJDHDC-UHFFFAOYSA-N",389301,NA,"PDBC26211","685121","Present",NA,NA
+"26212","5-Amino-2-[6-(5-amino-4-cyano-oxazol-2-yl)-2-pyridyl]oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[6-(5-amino-4-cyano-oxazol-2-yl)-2-pyridyl]oxazole-4-carbonitrile",NA,"C1=CC(=NC(=C1)C2=NC(=C(O2)N)C#N)C3=NC(=C(O3)N)C#N","AYOBAFQLRFWMOY-UHFFFAOYSA-N",389105,NA,"PDBC26212","684790","Present",NA,NA
+"26213","5-Amino-2-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-9-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-[[4-(2-dimethylaminoethylcarbamoyl)acridin-9-yl]amino]-5-oxo-pentanoic acid",NA,"CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC(CCC(=O)N)C(=O)O","WZHAPCPAGDAPHU-UHFFFAOYSA-N",392356,NA,"PDBC26213","692640","Present",NA,NA
+"26214","5-Amino-2-benzoyl-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-benzoyl-1,3-oxazole-4-carbonitrile",NA,"C1=CC=C(C=C1)C(=O)C2=NC(=C(O2)N)C#N","MUZLBRWXNZWHOC-UHFFFAOYSA-N",391480,NA,"PDBC26214","690685","Present",NA,NA
+"26215","5-Amino-2-benzylidene-6-(1-piperidinyl)-2,8-dihydroimidazo[1,2-a]pyrimidine-3,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-5-Amino-2-benzylidene-6-(1-piperidyl)-8H-imidazo[1,2-a]pyrimidine-3,7-dione",NA,"C1CCN(CC1)C2=C(N3C(=O)C(=CC4=CC=CC=C4)NC3=NC2=O)N","GDIPALKJWCFBCB-QBFSEMIESA-N",5801747,NA,"PDBC26215","684390","Present",NA,NA
+"26216","5-Amino-2-cyclobutyl-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-cyclobutyl-1,3-oxazole-4-carbonitrile",NA,"C1CC(C1)C2=NC(=C(O2)N)C#N","PFSVMRYZZPBWLD-UHFFFAOYSA-N",389103,NA,"PDBC26216","684788","Present",NA,NA
+"26217","5-Amino-2-cyclopropyloxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6615AD",NA,"C1CC1C2=NC(=C(O2)N)C#N","MTHZIZXCFVBICT-UHFFFAOYSA-N",388805,NA,"PDBC26217","683892","Present",NA,NA
+"26218","5-Amino-2-heptadecyl-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-heptadecyl-1,3-oxazole-4-carbonitrile",NA,"CCCCCCCCCCCCCCCCCC1=NC(=C(O1)N)C#N","HZBKCIYIRLMFPT-UHFFFAOYSA-N",391479,NA,"PDBC26218","690684","Present",NA,NA
+"26219","5-Amino-2-isopropenyl-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-isopropenyl-oxazole-4-carbonitrile",NA,"CC(=C)C1=NC(=C(O1)N)C#N","NOPYWSARKNNISR-UHFFFAOYSA-N",389297,NA,"PDBC26219","685117","Present",NA,NA
+"26220","5-Amino-2-mercapto-1-methyl-1H-imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-CM005583",NA,"CN1C(=C(NC1=S)C(=O)N)N","MPKNJHKYEJNMND-UHFFFAOYSA-N",3005023,NA,"PDBC26220","667940","Present",NA,NA
+"26221","5-Amino-2-methylsulfanyl-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1H-pyrimidin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-methylsulfanyl-4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-1H-pyrimidin-6-one",NA,"CSC1=NC(=C(C(=O)N1)N)NC2C(C(C(C(O2)CO)O)O)O","VZOSVGAXSLLDML-UHFFFAOYSA-N",135426516,NA,"PDBC26221","624648","Present",NA,NA
+"26222","5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-thioxo-1,3-dihydroimidazole-4-carbonitrile",NA,"C(#N)C1=C(NC(=S)N1)N","ARWNVZNLASAGOR-UHFFFAOYSA-N",3004998,NA,"PDBC26222","667378","Present",NA,NA
+"26223","5-Amino-2-vinyl-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-ethenyl-1,3-oxazole-4-carbonitrile",NA,"C=CC1=NC(=C(O1)N)C#N","MUCVMTGUEHCCHA-UHFFFAOYSA-N",389345,NA,"PDBC26223","685298","Present",NA,NA
+"26224","5-Amino-2-{[2-(2-ethoxyethoxy)ethoxy]methyl}-1,3-oxazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2-{[2-(2-ethoxyethoxy)ethoxy]methyl}-1,3-oxazole-4-carbonitrile",NA,"CCOCCOCCOCC1=NC(=C(O1)N)C#N","LXAKOKGNJFNYQP-UHFFFAOYSA-N",390376,NA,"PDBC26224","687718","Present",NA,NA
+"26225","5-Amino-3,4-dicyanopyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"URUOEYDLUZTVIE-UHFFFAOYSA-N",NA,"C(#N)C1=C(N(N=C1C#N)C(=O)N)N","URUOEYDLUZTVIE-UHFFFAOYSA-N",354307,NA,"PDBC26225","605470","Present",NA,NA
+"26226","5-Amino-3-(2,3-dihydroxypropyl)-1,3,4-thiadiazol-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-3-(2,3-dihydroxypropyl)-1,3,4-thiadiazol-2(3H)-one",NA,"C(C(CO)O)N1C(=O)SC(=N1)N","CLDZAJJGIQWRRD-UHFFFAOYSA-N",358986,NA,"PDBC26226","619193","Present",NA,NA
+"26227","5-Amino-3-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-6H-triazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-3-[4,5-dihydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-6H-triazolo[4,5-d]pyrimidin-7-one",NA,"C1=C(C(C(C1N2C3=C(C(=O)NC(=N3)N)N=N2)O)O)CO","IGDQMOZZKZNBKQ-UHFFFAOYSA-N",135499219,NA,"PDBC26227","644940","Present",NA,NA
+"26228","5-Amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-triazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-3-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6H-triazolo[4,5-d]pyrimidin-7-one",NA,"C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)N=N2)CO)O","QLBHLFDZMJYBOX-UHFFFAOYSA-N",135454027,NA,"PDBC26228","89822","Present",NA,NA
+"26229","5-Amino-3-methyl-2-methylsulfanyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-3-methyl-2-methylsulfanyl-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]pyrimidin-4-one",NA,"CN1C(=O)C(=C(N=C1SC)NC2C(C(C(C(O2)CO)O)O)O)N","VJRRURAMNHFZBJ-UHFFFAOYSA-N",361526,NA,"PDBC26229","624650","Present",NA,NA
+"26230","5-Amino-3-methylsulfanyl-4-phenylcarbamoyl-1H-pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-3-methylsulfanyl-4-phenylcarbamoyl-1H-pyrazole",NA,"CSC1=NNC(=C1C(=O)NC2=CC=CC=C2)N","KCRKRIUMPPYIDZ-UHFFFAOYSA-N",392157,NA,"PDBC26230","692037","Present",NA,NA
+"26231","5-Amino-4-(1,3-benzothiazol-2-yl)-1-(3,5-dichlorophenyl)-1,2-dihydro-3H-pyrrol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-4-(1,3-benzothiazol-2-yl)-1-(3,5-dichlorophenyl)-1,2-dihydro-3H-pyrrol-3-one",NA,"C1C(=C(C(=N)N1C2=CC(=CC(=C2)Cl)Cl)C3=NC4=CC=CC=C4S3)O","JFFHGCQLTHUVQZ-UHFFFAOYSA-N",135398754,NA,"PDBC26231","743270","Present",NA,NA
+"26232","5-Amino-4-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluorophenyl)-1,2-dihydro-3H-pyrrol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-chloro-4-fluoroph...",NA,"C1C(=C(C(=N)N1C2=CC(=C(C=C2)F)Cl)C3=NC4=CC=CC=C4S3)O","PAYYFJQVFDOHIQ-UHFFFAOYSA-N",135504535,NA,"PDBC26232","732964","Present",NA,NA
+"26233","5-Amino-4-(1,3-benzothiazol-2-yl)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1H-pyrrol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chloro-5-trifluor...",NA,"C1C(=C(C(=N)N1C2=C(C=CC(=C2)C(F)(F)F)Cl)C3=NC4=CC=CC=C4S3)O","FDPGCFKDYJYMLQ-UHFFFAOYSA-N",135438224,NA,"PDBC26233","732962","Present",NA,NA
+"26234","5-Amino-4-benzothiazol-2-yl-1-(2,5-dimethoxy-phenyl)-1,2-dihydro-pyrrol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-amino-4-(1,3-benzothiazol-2-yl)-1-(2,5-dimethoxyphenyl...",NA,"COC1=CC(=C(C=C1)OC)N2CC(=C(C2=N)C3=NC4=CC=CC=C4S3)O","CDOHJUPUIYEDTC-UHFFFAOYSA-N",135459277,NA,"PDBC26234","732787","Present",NA,NA
+"26235","5-Amino-4-benzothiazol-2-yl-1-(3-methoxy-phenyl)-1,2-dihydro-pyrrol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-amino-4-(1,3-benzothiazol-2-yl)-1-(3-methoxyphenyl)-2,...",NA,"COC1=CC=CC(=C1)N2CC(=C(C2=N)C3=NC4=CC=CC=C4S3)O","PPXFTXQJLUISRH-UHFFFAOYSA-N",135444827,NA,"PDBC26235","732786","Present",NA,NA
+"26236","5-Amino-4-cyano-2-(3-pyridyl)-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-4-cyano-2-(3-pyridyl)-1,3-oxazole",NA,"C1=CC(=CN=C1)C2=NC(=C(O2)N)C#N","IPDAAVATMABPQS-UHFFFAOYSA-N",386975,NA,"PDBC26236","680217","Present",NA,NA
+"26237","5-Amino-4-cyano-2-oxo-1,2,3,11b-tetrahydrochromeno[4,3,2-de][1,6]naphthyridine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Amino-12-cyano-15-oxo-8-oxa-10,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12-hexaene-16-carboxamide",NA,"C1=CC=C2C(=C1)C3C(C(=O)NC4=C(C(=NC(=C34)O2)N)C#N)C(=O)N","BTBFYWGLFXMTEP-UHFFFAOYSA-N",389423,NA,"PDBC26237","685505","Present",NA,NA
+"26238","5-Amino-4-imino-2-methyl-3,10b-dihydro-4H-chromeno[3,4-c]pyridine-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-4-imino-2-methyl-3,10b-dihydro-4H-chromeno[3,4-c]pyridine-1-carbonitrile",NA,"CC1=C(C2C3=CC=CC=C3OC(=C2C(=N1)N)N)C#N","QFTSDNXSBVPGCK-UHFFFAOYSA-N",388287,NA,"PDBC26238","682928","Present",NA,NA
+"26239","5-Amino-4-methoxy-2-nitrobenzenesulphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC605764",NA,"COC1=CC(=C(C=C1N)S(=O)(=O)O)[N+](=O)[O-]","QQSSZTDQUIRFNT-UHFFFAOYSA-N",80774,NA,"PDBC26239","605764","Present",NA,NA
+"26240","5-Amino-4-nitroacenaphthene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-4-nitroacenaphthene",NA,"C1CC2=CC(=C(C3=CC=CC1=C23)N)[N+](=O)[O-]","VWJYDQVCIUABSV-UHFFFAOYSA-N",343757,NA,"PDBC26240","400244","Present",NA,NA
+"26241","5-Amino-5-oxo-2-(p-tolylsulfonylcarbamoylamino)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-5-oxo-2-(p-tolylsulfonylcarbamoylamino)pentanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCC(=O)N)C(=O)O","NFOMVOUBMRTYIA-UHFFFAOYSA-N",396494,NA,"PDBC26241","702678","Present",NA,NA
+"26242","5-Amino-5-oxo-2-[(9-oxo-10H-acridine-4-carbonyl)amino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-5-oxo-2-[(9-oxo10h-acridine-4-carbonyl)amino]pentanoic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC(CCC(=O)N)C(=O)O","ZDIBLEUDVAOFJG-UHFFFAOYSA-N",392351,NA,"PDBC26242","692635","Present",NA,NA
+"26243","5-Amino-6-(7-amino-6-methoxy-5,8-dioxo-1,2,3,4,5,8-hexahydroquinolin-2-yl)-4-(2-hydroxy-3,4-dimethoxyphenyl)-3-methylpyridine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyridinecarboxylic acid, 5-amino-6-(7-amino-1,2,3,4,5,...",NA,"CC1=C(C(=C(N=C1C(=O)O)C2CCC3=C(N2)C(=O)C(=C(C3=O)OC)N)N)C4=C(C(=C(C=C4)OC)OC)O","SQYHNFNEPRVUKC-UHFFFAOYSA-N",253712,NA,"PDBC26243","76919","Present",NA,NA
+"26244","5-Amino-N-(3-chlorophenyl)-5-(4-chlorophenyl)-5-cyano-4-oxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-amino-N-(3-chlorophenyl)-5-(4-chloro-phenyl)-5-cyano-4...",NA,"C1=CC(=CC(=C1)Cl)NC(=O)CCC(=O)C(C#N)(C2=CC=C(C=C2)Cl)N","YQDBZDIMYUIBPM-UHFFFAOYSA-N",361457,NA,"PDBC26244","624479","Present",NA,NA
+"26245","5-Amino-N-[(E)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-N-[(E)-[5-(2,4,5-trichlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide",NA,"C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)N3C(=C(C=N3)C(=O)NN=CC4=CC=C(O4)C5=CC(=C(C=C5Cl)Cl)Cl)N","BTXPQRZJCPNHPD-FTFSGFEDSA-N",45027944,NA,"PDBC26245","740240","Present",NA,NA
+"26246","5-Amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide",NA,"C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)N3C(=C(C=N3)C(=O)NN=CC4=CC=C(O4)C5=CC=C(C=C5)Cl)N","MFTVMJKZPAZAGV-DPWJMMOYSA-N",45027943,NA,"PDBC26246","740239","Present",NA,NA
+"26247","5-Amino-N-[(E)-furan-2-ylmethylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-N-[(E)-furan-2-ylmethylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxamide",NA,"C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)N3C(=C(C=N3)C(=O)NN=CC4=CC=CO4)N","ZHFJUQGFALGHGL-YCPBAFNGSA-N",45027942,NA,"PDBC26247","740238","Present",NA,NA
+"26248","5-Amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-N-[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide",NA,"CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)N","GWJAQCRMEGDZPA-UHFFFAOYSA-N",395006,NA,"PDBC26248","699145","Present",NA,NA
+"26249","5-Amino-N-[2-[[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-N-[2-[[2-[2-(diethylamino)ethylcarbamoyl]-1H-indol-5-yl]carbamoyl]-1H-indol-5-yl]-1H-indole-2-carboxamide",NA,"CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=C(N5)C=CC(=C6)N","DERBHUXENPWNHC-UHFFFAOYSA-N",395007,NA,"PDBC26249","699146","Present",NA,NA
+"26250","5-Amino-N-methyl-1,2,3-thiadiazole-4-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-N-methyl-1,2,3-thiadiazole-4-carbothioamide",NA,"CNC(=S)C1=C(SN=N1)N","FPJCBCUQMUQUDU-UHFFFAOYSA-N",2771457,NA,"PDBC26250","684035","Present",NA,NA
+"26251","5-Aminopentanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-58980",NA,"C(CCN)CCS(=O)(=O)O","NJVWBSNUDITJDJ-UHFFFAOYSA-N",169850,NA,"PDBC26251","637821","Present",NA,NA
+"26252","5-Anilino-1,3-bis[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Di[2-(4-chlorophenoxy)ethyl]-5-(phenylamino)uracil",NA,"C1=CC=C(C=C1)NC2=CN(C(=O)N(C2=O)CCOC3=CC=C(C=C3)Cl)CCOC4=CC=C(C=C4)Cl","UQZVZKQHRIAZFL-UHFFFAOYSA-N",395060,NA,"PDBC26252","699249","Present",NA,NA
+"26253","5-Anilino-1,3-bis[2-(4-methylphenoxy)ethyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Di[2-(4-Methylphenoxy)ethyl]-5-(phenylamino)uracil",NA,"CC1=CC=C(C=C1)OCCN2C=C(C(=O)N(C2=O)CCOC3=CC=C(C=C3)C)NC4=CC=CC=C4","MTNBGQUCYKOINE-UHFFFAOYSA-N",395062,NA,"PDBC26253","699251","Present",NA,NA
+"26254","5-Anilino-1-(2-benzyloxyethoxymethyl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Anilino-1-(2-benzyloxyethoxymethyl)pyrimidine-2,4-dione",NA,"C1=CC=C(C=C1)COCCOCN2C=C(C(=O)NC2=O)NC3=CC=CC=C3","QEFGDUZWHOTZBJ-UHFFFAOYSA-N",395261,NA,"PDBC26254","699739","Present",NA,NA
+"26255","5-Anilino-1-[2-(4-chlorophenoxy)ethyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(4-Chlorophenoxy)ethyl]-5-(phenylamino)uracil",NA,"C1=CC=C(C=C1)NC2=CN(C(=O)NC2=O)CCOC3=CC=C(C=C3)Cl","WIUZFDUELZITTI-UHFFFAOYSA-N",395059,NA,"PDBC26255","699248","Present",NA,NA
+"26256","5-Anilino-1-[2-(4-methylphenoxy)ethyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-(4-Methylphenoxy)ethyl]-5-(phenylamino)uracil",NA,"CC1=CC=C(C=C1)OCCN2C=C(C(=O)NC2=O)NC3=CC=CC=C3","FJCAZAPPVOKDEY-UHFFFAOYSA-N",395061,NA,"PDBC26256","699250","Present",NA,NA
+"26257","5-Anilino-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Anilino-3-(1-pyrrolidinyl)-4-isothiazolecarbonitrile",NA,"C1CCN(C1)C2=NSC(=C2C#N)NC3=CC=CC=C3","KQGQUIQVSLRGLL-UHFFFAOYSA-N",385015,NA,"PDBC26257","675869","Present",NA,NA
+"26258","5-Anilino-7-methyl-10-propyl-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene-11-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Anilino-7-methyl-10-propyl-12-thia-3,4,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7-tetraene-11-thione",NA,"CCCN1C2=C(C3=NN=C(N3C(=N2)C)NC4=CC=CC=C4)SC1=S","CVYJPDKANYHQSA-UHFFFAOYSA-N",45029490,NA,"PDBC26258","746967","Present",NA,NA
+"26259","5-Azanyl-2-(Phenylmethyl)-1,3-Oxazole-4-Carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-298053",NA,"C1=CC=C(C=C1)CC2=NC(=C(O2)N)C#N","DCUCOAMWPAFMQZ-UHFFFAOYSA-N",389296,NA,"PDBC26259","685116","Present",NA,NA
+"26260","5-Azatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,13-tetraene-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Azatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7,13-tetraene-3,10-dione",NA,"C1C2C=CC1C3C2C(=O)C4=C(C3=O)N=CC=C4","FUMXYMLONDPFTF-UHFFFAOYSA-N",353640,NA,"PDBC26260","602613","Present",NA,NA
+"26261","5-Azido-2-methyl-6-phenylpyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Azido-2-methyl-6-phenylpyridazin-3(2h)-one",NA,"CN1C(=O)C=C(C(=N1)C2=CC=CC=C2)N=[N+]=[N-]","VNQMCTJVKRSPIV-UHFFFAOYSA-N",375232,NA,"PDBC26261","654622","Present",NA,NA
+"26262","5-Azido-3-chloro-4-[(triphenylphosphoranylidene)amino]furan-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Azido-3-chloro-4-[(triphenylphosphoranylidene)amino]furan-2(5H)-one",NA,"C1=CC=C(C=C1)P(=NC2=C(C(=O)OC2N=[N+]=[N-])Cl)(C3=CC=CC=C3)C4=CC=CC=C4","BTOQNPHNTXVOMO-UHFFFAOYSA-N",371955,NA,"PDBC26262","646712","Present",NA,NA
+"26263","5-Azido-5-phenyl-4h-pyrido[3,2,1-jk]carbazole-4,6(5h)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azido-3-phenyl-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16),10,12,14-hexaene-2,4-dione",NA,"C1=CC=C(C=C1)C2(C(=O)C3=CC=CC4=C3N(C2=O)C5=CC=CC=C45)N=[N+]=[N-]","FXUGFEPYHIYZAS-UHFFFAOYSA-N",376998,NA,"PDBC26263","658216","Present",NA,NA
+"26264","5-Aziridinyl-3-hydroxymethyl-1-methylindole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-aziridinyl-3-hydroxymethyl-1-methylindole-4,7-dione",NA,"CN1C=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO","USDGEBQRMOVMBD-UHFFFAOYSA-N",10105331,NA,"PDBC26264","732423","Present",NA,NA
+"26265","5-Benzo[b]thiophen-3-yl-1H-indole-3-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzo[b]thiophen-3-yl-1H-indole-3-carbaldehyde",NA,"C1=CC=C2C(=C1)C(=CS2)C3=CC4=C(C=C3)NC=C4C=O","YUWFYGOPTQGIQU-UHFFFAOYSA-N",4187155,NA,"PDBC26265","743364","Present",NA,NA
+"26266","5-Benzoxazolecarboxaldehyde, 2,3-dihydro-2-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JPB 26",NA,"C1=CC2=C(C=C1C=O)OC(=O)N2","IMJHZVCEOBDHMM-UHFFFAOYSA-N",391474,NA,"PDBC26266","690679","Present",NA,NA
+"26267","5-Benzoyl-1-methyl-2(1H)-pyridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzoyl-1-methyl-2(1H)-pyridinone",NA,"CN1C=C(C=CC1=O)C(=O)C2=CC=CC=C2","OSCXMPDVMFVLDH-UHFFFAOYSA-N",370864,NA,"PDBC26267","644597","Present",NA,NA
+"26268","5-Benzoyl-2-(4-nitrophenyl)-6-phenyl-1H-pyridazine-3,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Nitrophenyl)-6-phenyl-5-(phenylcarbonyl)-1,2-dihydropyridazine-3,4-dione",NA,"C1=CC=C(C=C1)C2=C(C(=O)C(=O)N(N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4","HGTDDTHEHFIGPI-UHFFFAOYSA-N",404249,NA,"PDBC26268","720427","Present",NA,NA
+"26269","5-Benzoyl-2-methyl-1(2H)-isoquinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzoyl-2-methyl-1(2H)-isoquinolinone",NA,"CN1C=CC2=C(C1=O)C=CC=C2C(=O)C3=CC=CC=C3","NRAISZORQBTEOR-UHFFFAOYSA-N",370869,NA,"PDBC26269","644602","Present",NA,NA
+"26270","5-Benzoyl-2-phenyl-1,3-oxazol-4(5h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzoyl-2-phenyl-1,3-oxazol-4(5h)-one",NA,"C1=CC=C(C=C1)C2=NC(=O)C(O2)C(=O)C3=CC=CC=C3","METLMJXTPCQNPN-UHFFFAOYSA-N",271845,NA,"PDBC26270","115813","Present",NA,NA
+"26271","5-Benzoyl-6H-phenanthridine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzoyl-6H-phenanthridine-6-carbonitrile",NA,"C1=CC=C(C=C1)C(=O)N2C(C3=CC=CC=C3C4=CC=CC=C42)C#N","WFDDVLVUEIUGCT-UHFFFAOYSA-N",283305,NA,"PDBC26271","137805","Present",NA,NA
+"26272","5-Benzyl-2,4,6-trichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-2,4,6-trichloropyrimidine",NA,"C1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)Cl)Cl","DUUCYJQQRKIAKM-UHFFFAOYSA-N",260789,NA,"PDBC26272","92504","Present",NA,NA
+"26273","5-Benzyl-2,4-dimethyl-1,3-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-2,4-dimethyl-1,3-oxazole",NA,"CC1=C(OC(=N1)C)CC2=CC=CC=C2","QOOMBUBMRAJRJS-UHFFFAOYSA-N",384232,NA,"PDBC26273","673648","Present",NA,NA
+"26274","5-Benzyl-3-(2-hydroxypropyl)imidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-3-(2-hydroxypropyl)imidazolidine-2,4-dione",NA,"CC(CN1C(=O)C(NC1=O)CC2=CC=CC=C2)O","GKTMNTZZQVZCBY-UHFFFAOYSA-N",359150,NA,"PDBC26274","619829","Present",NA,NA
+"26275","5-Benzyl-3-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-3-(furan-2-ylmethyl)-1,3,5-thiadiazinane-2-thione",NA,"C1N(CSC(=S)N1CC2=CC=CO2)CC3=CC=CC=C3","YVGRTHFXWYEKNL-UHFFFAOYSA-N",327741,NA,"PDBC26275","303870","Present",NA,NA
+"26276","5-Benzyl-3-[(E)-(4-methoxyphenyl)methylideneamino]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-3-[(E)-(4-methoxyphenyl)methylideneamino]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-imine",NA,"CC1=C(C2=C(N1)N=CN(C2=N)N=CC3=CC=C(C=C3)OC)CC4=CC=CC=C4","KDOFJLUSCKZUMY-QWMNDZAJSA-N",135505226,NA,"PDBC26276","706032","Present",NA,NA
+"26277","5-Benzyl-3-[(E)-benzylideneamino]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-3-[(E)-benzylideneamino]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-imine",NA,"CC1=C(C2=C(N1)N=CN(C2=N)N=CC3=CC=CC=C3)CC4=CC=CC=C4","JCETUJSRVMDVBW-KUOBXQLNSA-N",135505220,NA,"PDBC26277","704880","Present",NA,NA
+"26278","5-Benzyl-3-butylimidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-3-n-butyl hydantoin",NA,"CCCCN1C(=O)C(NC1=O)CC2=CC=CC=C2","ZOTOLRCNCFQPTN-UHFFFAOYSA-N",359148,NA,"PDBC26278","619827","Present",NA,NA
+"26279","5-Benzyl-4-ethoxy-2-methyl-1H,6H-2,6a,10b-triazafluoranthene-1,3,6(2H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-4-ethoxy-2-methyl-1H,6H-2,6a,10b-triazafluoranthene-1,3,6(2H)-trione",NA,"CCOC1=C(C(=O)N2C3=CC=CC=C3N4C2=C1C(=O)N(C4=O)C)CC5=CC=CC=C5","PTPUOWXJUIDXMM-UHFFFAOYSA-N",364728,NA,"PDBC26279","631386","Present",NA,NA
+"26280","5-Benzyl-4-imino-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-6-methyl-pyrrolo[2,3-d]pyrimidine-3,4-diamine",NA,"CC1=C(C2=C(N1)N=CN(C2=N)N)CC3=CC=CC=C3","BZRHCLLYLRMCDK-UHFFFAOYSA-N",135468833,NA,"PDBC26280","690965","Present",NA,NA
+"26281","5-Benzyl-4-imino-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-4-imino-6-methyl-N-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-amine",NA,"CC1=C(C2=C(N1)N=CN(C2=N)NC3=CC=CC=C3)CC4=CC=CC=C4","ZPXCEHBWELQWRF-UHFFFAOYSA-N",135426658,NA,"PDBC26281","706031","Present",NA,NA
+"26282","5-Benzyl-5-methyl-2-sulfanylideneimidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thioxo-5-benzyl-5-methylimidazolidine-4-one",NA,"CC1(C(=O)NC(=S)N1)CC2=CC=CC=C2","VUGNAMMGEFVNMZ-UHFFFAOYSA-N",3765805,NA,"PDBC26282","619830","Present",NA,NA
+"26283","5-Benzyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-5-methyl-3-(2-methylbutyl)imidazolidine-2,4-dione",NA,"CCC(C)CN1C(=O)C(NC1=O)(C)CC2=CC=CC=C2","RQDNQTMAAZTLKP-UHFFFAOYSA-N",359152,NA,"PDBC26283","619831","Present",NA,NA
+"26284","5-Benzyl-5-phenylbenzo[b]phosphindol-5-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666495",NA,"C1=CC=C(C=C1)C[P+]2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5.[Cl-]","QDGCOKUUQMLTTA-UHFFFAOYSA-M",380784,NA,"PDBC26284","666495","Present",NA,NA
+"26285","5-Benzyl-5-pyridin-3-ylimidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-BENZYL-5-(3-PYRIDYL)HYDANTOIN",NA,"C1=CC=C(C=C1)CC2(C(=O)NC(=O)N2)C3=CN=CC=C3","PCPFITWOBPHEGE-UHFFFAOYSA-N",219320,NA,"PDBC26285","479","Present",NA,NA
+"26286","5-Benzyl-5H-benzo[b]phosphindole 5-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-5H-benzo[b]phosphindole 5-oxide",NA,"C1=CC=C(C=C1)CP2(=O)C3=CC=CC=C3C4=CC=CC=C24","WDWIJSHBEURMKM-UHFFFAOYSA-N",380786,NA,"PDBC26286","666496","Present",NA,NA
+"26287","5-Benzyl-6-hydrazinyl-3-phenyl-1,2,4-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-6-hydrazinyl-3-phenyl-1,2,4-triazine",NA,"C1=CC=C(C=C1)CC2=C(N=NC(=N2)C3=CC=CC=C3)NN","OUJNAEXHFFDFNF-UHFFFAOYSA-N",375115,NA,"PDBC26287","654238","Present",NA,NA
+"26288","5-Benzyl-6-hydroxy-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-6-hydroxy-5-azahexacyclo[5.4.1.02,6.03,10.04,8.09,12]dodecane-4-carbonitrile",NA,"C1C2C3C4C1C5C2C6(C3C4C5(N6CC7=CC=CC=C7)O)C#N","LTSIVNHXUOTKTL-UHFFFAOYSA-N",371681,NA,"PDBC26288","646118","Present",NA,NA
+"26289","5-Benzyl-6-oxo-4,5-dihydro-6H-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-benzyl-6-oxo-5,6-dihydro-4h-[1,2,4]triazolo[1,5-a][1,4]benzodiazepine-2-carboxylate",NA,"COC(=O)C1=NN2C(=N1)CN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4","SCORAAYAWBQUSY-UHFFFAOYSA-N",401216,NA,"PDBC26289","714420","Present",NA,NA
+"26290","5-Benzyl-7,8-dihydro-6H-indeno[1,2-b]indole-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-5,6,7,8-tetrahydro-indeno[1,2-b]indole-9,10-dione",NA,"C1CC2=C(C(=O)C1)C3=C(N2CC4=CC=CC=C4)C5=CC=CC=C5C3=O","GCBBQAMPVJFUPC-UHFFFAOYSA-N",406017,NA,"PDBC26290","723897","Present",NA,NA
+"26291","5-Benzyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one",NA,"C1=CC=C(C=C1)CN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O","KBWYFFCXQKUBNZ-UHFFFAOYSA-N",406582,NA,"PDBC26291","724794","Present",NA,NA
+"26292","5-Benzyl-N-propyl-3,4-dihydro-1H-1,5-benzodiazepin-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyl-N-propyl-3,4-dihydro-1H-1,5-benzodiazepin-2-imine",NA,"CCCN=C1CCN(C2=CC=CC=C2N1)CC3=CC=CC=C3","VCZIPRMAGDQYEM-UHFFFAOYSA-N",135426648,NA,"PDBC26292","705837","Present",NA,NA
+"26293","5-Benzylbenzene-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Toluene-3,5-diamine, .alpha.-phenyl-",NA,"C1=CC=C(C=C1)CC2=CC(=CC(=C2)N)N","KIATVFIARSSXER-UHFFFAOYSA-N",258035,NA,"PDBC26293","86681","Present",NA,NA
+"26294","5-Benzylidene-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzylidene-3-(1-piperidinylmethyl)-2-thioxo-4-imidazolidinone",NA,"C1CCN(CC1)CN2C(=O)C(=CC3=CC=CC=C3)NC2=S","DGAPYHCFPZTUGD-KAMYIIQDSA-N",5469473,NA,"PDBC26294","688935","Present",NA,NA
+"26295","5-Benzylidene-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzylidene-3-(4-morpholinylmethyl)-2-thioxo-4-imidazolidinone",NA,"C1COCCN1CN2C(=O)C(=CC3=CC=CC=C3)NC2=S","KEYLNZPCXRTRHX-RAXLEYEMSA-N",5469467,NA,"PDBC26295","688929","Present",NA,NA
+"26296","5-Benzylidene-9-butyl-2,3,5,6,7,8-hexahydroacridin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-5-Benzylidene-9-butyl-1,2,3,6,7,8-hexahydroacridin-4-one",NA,"CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCCC4=O","ZJLRELFNKUJYGZ-FBMGVBCBSA-N",5467329,NA,"PDBC26296","650746","Present",NA,NA
+"26297","5-Benzyloxybenzylbarbituric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(m-Benzyloxy)benzylbarbituric Acid",NA,"C1=CC=C(C=C1)COC2=CC=CC(=C2)CC3C(=O)NC(=O)NC3=O","LHGZUAAZPCYFIW-UHFFFAOYSA-N",192294,NA,"PDBC26297","685357","Present",NA,NA
+"26298","5-Benzylsulfanyl-1-(4-chlorophenyl)-3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,2,4-triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzylsulfanyl-1-(4-chlorophenyl)-3-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,2,4-triazole",NA,"COC1=CC(=C(C=C1)OC)C=CC2=NN(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)Cl","QUFOJWJVLRRWFD-OVCLIPMQSA-N",60148003,NA,"PDBC26298","753435","Present",NA,NA
+"26299","5-Benzylsulfanyl-2-phenyl-6-thia-4-azaspiro[2.4]hept-4-en-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzylsulfanyl-1-phenyl-6-thia-4-azaspiro[2.4]hept-4-en-7-one",NA,"C1C(C12C(=O)SC(=N2)SCC3=CC=CC=C3)C4=CC=CC=C4","LIJGKDZNDFHBDY-UHFFFAOYSA-N",399304,NA,"PDBC26299","709993","Present",NA,NA
+"26300","5-Benzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyltetrahydropyrrolo[3,4-d]imidazole-2,4,6(5H)-trione",NA,"C1=CC=C(C=C1)CN2C(=O)C3C(C2=O)NC(=O)N3","VUIKKDVSYAKXAD-UHFFFAOYSA-N",365909,NA,"PDBC26300","634030","Present",NA,NA
+"26301","5-Benzyltriazolo[3,4-b]thiadiazol-2-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyltriazolo[3,4-b]thiadiazol-2-thiol",NA,"C1=CC=C(C=C1)CC2=NN=C3N2NC(=S)S3","YTXYPBGFOFQODO-UHFFFAOYSA-N",5473015,NA,"PDBC26301","723445","Present",NA,NA
+"26302","5-Bromo-1,3-dichlorocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-1,3-dichloro-4h-cyclopenta[c]thiophen-4-one",NA,"C1=C(C(=O)C2=C(SC(=C21)Cl)Cl)Br","ZXVRGUHEUKLWPK-UHFFFAOYSA-N",400226,NA,"PDBC26302","711744","Present",NA,NA
+"26303","5-Bromo-1-((2-(4-bromophenyl)-4-methylene-5-oxotetrahydro-2-furanyl)methyl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-1-[[2-(4-bromophenyl)-4-methylene-5-oxo-tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione",NA,"C=C1CC(OC1=O)(CN2C=C(C(=O)NC2=O)Br)C3=CC=C(C=C3)Br","HBPZUXCPAVPCAW-UHFFFAOYSA-N",381503,NA,"PDBC26303","668259","Present",NA,NA
+"26304","5-Bromo-1-(1-ethoxyethoxy)pent-2-yne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-1-(1-ethoxyethoxy)pent-2-yne",NA,"CCOC(C)OCC#CCCBr","UEMPDGMNEICTBQ-UHFFFAOYSA-N",359566,NA,"PDBC26304","620557","Present",NA,NA
+"26305","5-Bromo-1-[4-[(4-fluorophenyl)methyl-hydroxyamino]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-1-[4-[(4-fluorophenyl)methyl-hydroxyamino]-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1=CC(=CC=C1CN(C2C(OC(C2O)N3C=C(C(=O)NC3=O)Br)CO)O)F","AOEAPVUYCYGGFU-UHFFFAOYSA-N",375109,NA,"PDBC26305","654224","Present",NA,NA
+"26306","5-Bromo-1-[[4-methylidene-5-oxo-2-(4-phenylphenyl)oxolan-2-yl]methyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5-Bromouracil-1-yl)-4-methylene-5-oxo-2-(p-phenylphen...",NA,"C=C1CC(OC1=O)(CN2C=C(C(=O)NC2=O)Br)C3=CC=C(C=C3)C4=CC=CC=C4","PIBKIDIBQULXPL-UHFFFAOYSA-N",381504,NA,"PDBC26306","668260","Present",NA,NA
+"26307","5-Bromo-2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one",NA,"C1=CC2=C(C=C1Br)C(=C(N2)O)C3=NC4=C(C3=O)C=C(C=C4)Br","NRFIAFHOBIQDRE-UHFFFAOYSA-N",403167,NA,"PDBC26307","717819","Present",NA,NA
+"26308","5-Bromo-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol",NA,"COC1C(C(C(C(O1)CO)O)O)Br","NZTHEWLNMKBFDI-UHFFFAOYSA-N",359631,NA,"PDBC26308","620690","Present",NA,NA
+"26309","5-Bromo-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Bromo-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzofu...",NA,"C1=CC2=C(C=C1Br)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","OHDFDJFHYCARPR-WDZFZDKYSA-N",10893040,NA,"PDBC26309","772271","Present",NA,NA
+"26310","5-Bromo-2-butoxybenzene-1,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-2-butoxy-benzene-1,3-dicarboxylic acid",NA,"CCCCOC1=C(C=C(C=C1C(=O)O)Br)C(=O)O","PLCOUAYEFACRMW-UHFFFAOYSA-N",395727,NA,"PDBC26310","700526","Present",NA,NA
+"26311","5-Bromo-2-carboxy-8-methoxy-1,2,3,4-tetrahydronaphthalene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenecarboxylic acid, 5-bromo-1,2,3,4-tetrahydro...",NA,"COC1=C2CC(CCC2=C(C=C1)Br)C(=O)O","SHWPEYMQAQIQFK-UHFFFAOYSA-N",372187,NA,"PDBC26311","647137","Present",NA,NA
+"26312","5-Bromo-2-hydroxy-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-2-hydroxy-N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide",NA,"C1=CC2=NC(=CN2C=C1)C3=CC=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)O","KUVLTGYDEWFRLP-UHFFFAOYSA-N",330528,NA,"PDBC26312","319464","Present",NA,NA
+"26313","5-Bromo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-bromo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide",NA,"C1=CC=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)Br)C(=O)N","JZBSYFUDPOXALL-RMKNXTFCSA-N",53329234,NA,"PDBC26313","748146","Present",NA,NA
+"26314","5-Bromo-3-(4-chloroanilino)indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_003242",NA,"C1=CC(=CC=C1N=C2C3=C(C=CC(=C3)Br)NC2=O)Cl","GTYLCWOHDGSQIQ-UHFFFAOYSA-N",135452426,NA,"PDBC26314","201434","Present",NA,NA
+"26315","5-Bromo-3-[(2-hydroxy-5-bromobenzylidene)amino]-2-(cyclohexylamino)benzofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-3-[(2-hydroxy-5-bromobenzylidene)amino]-2-(cyclohexylamino)benzofuran",NA,"C1CCC(CC1)NC2=C(C3=C(O2)C=CC(=C3)Br)N=CC4=C(C=CC(=C4)Br)O","DAWWAPUPNAZLOX-UHFFFAOYSA-N",376965,NA,"PDBC26315","658165","Present",NA,NA
+"26316","5-Bromo-3-[(2S,5S)-5-(5-bromo-1H-indol-3-yl)piperazin-2-yl]-1H-indole;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-3-[(2S,5S)-5-(5-bromo-1H-indol-3-yl)piperazin-2-yl]-1H-indole;hydrobromide",NA,"C1C(NCC(N1)C2=CNC3=C2C=C(C=C3)Br)C4=CNC5=C4C=C(C=C5)Br.Br","FPIFXMKZHHYXKE-GZJHNZOKSA-N",54608160,NA,"PDBC26316","678531","Present",NA,NA
+"26317","5-Bromo-3-acetyl-2H-1-benzopyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-5-bromo-2h-chromen-2-one",NA,"CC(=O)C1=CC2=C(C=CC=C2Br)OC1=O","ZUWZRNYWRVWVKR-UHFFFAOYSA-N",269936,NA,"PDBC26317","111657","Present",NA,NA
+"26318","5-Bromo-3-cyclohexyl-2-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-3-cyclohexyl-2-hydroxybenzamide",NA,"C1CCC(CC1)C2=C(C(=CC(=C2)Br)C(=O)N)O","UNSUXNUUERMPHL-UHFFFAOYSA-N",222105,NA,"PDBC26318","7420","Present",NA,NA
+"26319","5-Bromo-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-3-hydroxy-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one",NA,"C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)C3(C4=C(C=CC(=C4)Br)NC3=O)O","YKEDCAYCWFVNAF-UHFFFAOYSA-N",366647,NA,"PDBC26319","635322","Present",NA,NA
+"26320","5-Bromo-3-pyridin-3-ylimino-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-3-pyridin-3-ylimino-1H-indol-2-one",NA,"C1=CC(=CN=C1)N=C2C3=C(C=CC(=C3)Br)NC2=O","GDPLLJMLTUBHPH-UHFFFAOYSA-N",135432053,NA,"PDBC26320","201428","Present",NA,NA
+"26321","5-Bromo-3H-triazolo[4,5-d]pyrimidin-7-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-3H-triazolo[4,5-d]pyrimidin-7-ol",NA,"C12=NNN=C1N=C(NC2=O)Br","VNZFGKZJYJRQGA-UHFFFAOYSA-N",135440019,NA,"PDBC26321","680827","Present",NA,NA
+"26322","5-Bromo-5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyrazol]-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-bromo-5'-phenyl-2',4'-dihydrospiro[indoline-3,3'-pyraz...",NA,"C1C(=NNC12C3=C(C=CC(=C3)Br)NC2=O)C4=CC=CC=C4","IUQHKEGJONLANJ-UHFFFAOYSA-N",129885811,NA,"PDBC26322","767494","Present",NA,NA
+"26323","5-Bromo-5-chloro-6-hydroxy-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-5-chloro-6-hydroxy-1,3-dimethyldihydro-2,4(1H,3H)-pyrimidinedione",NA,"CN1C(C(C(=O)N(C1=O)C)(Cl)Br)O","KQQVKJJBCQARKS-UHFFFAOYSA-N",381307,NA,"PDBC26323","667745","Present",NA,NA
+"26324","5-Bromo-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-6-(1,3-dithiolan-2-yl)-1,3-benzodioxole",NA,"C1CSC(S1)C2=CC3=C(C=C2Br)OCO3","SRCWKQMODRURGL-UHFFFAOYSA-N",372292,NA,"PDBC26324","647351","Present",NA,NA
+"26325","5-Bromo-6-(2-methyl-1,3-dithian-2-yl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-6-(2-methyl-1,3-dithian-2-yl)-1,3-benzodioxole",NA,"CC1(SCCCS1)C2=CC3=C(C=C2Br)OCO3","DMOZTQIEWWPZEE-UHFFFAOYSA-N",359193,NA,"PDBC26325","619875","Present",NA,NA
+"26326","5-Bromo-6-(3,4,5-trimethoxybenzyl)-1,3-benzodioxole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-6-(3,4,5-trimethoxybenzyl)-1,3-benzodioxole-4-carboxylic acid",NA,"COC1=CC(=CC(=C1OC)OC)CC2=CC3=C(C(=C2Br)C(=O)O)OCO3","BOTBWCNYYXLNGM-UHFFFAOYSA-N",390041,NA,"PDBC26326","686955","Present",NA,NA
+"26327","5-Bromo-6-(5-methyl-1,3-benzodithiol-2-yl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-6-(5-methyl-1,3-benzodithiol-2-yl)-1,3-benzodioxole",NA,"CC1=CC2=C(C=C1)SC(S2)C3=CC4=C(C=C3Br)OCO4","RRVWEMDKQTVSTK-UHFFFAOYSA-N",372336,NA,"PDBC26327","647394","Present",NA,NA
+"26328","5-Bromo-6-[[(E)-3-nitroallyloxy]methyl]-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-6-[[(E)-3-nitroallyloxy]methyl]-1,3-benzodioxole",NA,"C1OC2=C(O1)C=C(C(=C2)COCC=C[N+](=O)[O-])Br","MLFRYNXYNRRLRL-OWOJBTEDSA-N",5470336,NA,"PDBC26328","699769","Present",NA,NA
+"26329","5-Bromo-6-amino-1-(2'-hydroxyethoxymethyl)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-6-amino-1-(2'-hydroxyethoxymethyl)uracil",NA,"C(COCN1C(=C(C(=O)NC1=O)Br)N)O","ZJXMHJJPJLIXOE-UHFFFAOYSA-N",365668,NA,"PDBC26329","633522","Present",NA,NA
+"26330","5-Bromo-6-azido-1-(2'-hydroxyethoxymethyl)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-6-azido-1-(2'-hydroxyethoxymethyl)uracil",NA,"C(COCN1C(=C(C(=O)NC1=O)Br)N=[N+]=[N-])O","YCQGAPFASIURKM-UHFFFAOYSA-N",3004160,NA,"PDBC26330","633523","Present",NA,NA
+"26331","5-Bromo-6-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-6-chloro-2-(4-methylpiperazin-1-yl)pyrimidin-4-amine",NA,"CN1CCN(CC1)C2=NC(=C(C(=N2)Cl)Br)N","JXTHAGZLFHEXKF-UHFFFAOYSA-N",360769,NA,"PDBC26331","623109","Present",NA,NA
+"26332","5-Bromo-6-chloro-2-ethenyl-6-methyl-1,2-oxidoheptane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-bromo-6-chloro-2-ethenyl-6-methyl-1,2-oxidoheptane",NA,"CC(C)(C(CCC1(CO1)C=C)Br)Cl","ZPKOZZALXQPVET-UHFFFAOYSA-N",379051,NA,"PDBC26332","662821","Present",NA,NA
+"26333","5-Bromo-6-hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-(-)-5-endo-Bromo-6-endo-hydroxycamphor",NA,"CC1(C2CC(=O)C1(C(C2Br)O)C)C","YFOGAKDZBMEIPI-UHFFFAOYSA-N",376766,NA,"PDBC26333","657823","Present",NA,NA
+"26334","5-Bromo-6-nitroisatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-bromo-6-nitroisatin",NA,"C1=C2C(=CC(=C1Br)[N+](=O)[O-])NC(=O)C2=O","LLNUDSDAFYWGRT-UHFFFAOYSA-N",373211,NA,"PDBC26334","649178","Present",NA,NA
+"26335","5-Bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-6-phenylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide",NA,"C1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)S(=O)(=O)N)Br","HWJCZZDWWVVARW-UHFFFAOYSA-N",394566,NA,"PDBC26335","698131","Present",NA,NA
+"26336","5-Bromo-7-[(4-phenylpiperazin-1-yl)methyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 5-bromo-7-[(4-phenyl-1-piperazinyl)methyl]-",NA,"C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Br)C4=CC=CC=C4","CMIBCLNTDXWVDH-UHFFFAOYSA-N",272568,NA,"PDBC26336","117028","Present",NA,NA
+"26337","5-Bromo-7-hydroxy-3,4,8b-trimethyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-7-hydroxy-3,4,8b-trimethyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one",NA,"CC12CC(=O)N(C1N(C3=C2C=C(C=C3Br)O)C)C","WXPHLDITUIHZAP-UHFFFAOYSA-N",368807,NA,"PDBC26337","640072","Present",NA,NA
+"26338","5-Bromo-7-hydroxy-6-methoxy-benzofuran-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-bromo-7-hydroxy-6-methoxy-benzofuran-2-carboxylic acid...",NA,"CC1=C(OC2=C(C(=C(C=C12)Br)OC)O)C(=O)OC","YLMDLKJVHWRZOO-UHFFFAOYSA-N",24204520,NA,"PDBC26338","732109","Present",NA,NA
+"26339","5-Bromo-7-methoxy-2-(2-thienyl)-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-7-methoxy-2-(2-thienyl)-1,3-benzoxazole",NA,"COC1=CC(=CC2=C1OC(=N2)C3=CC=CS3)Br","DUHIRPOEHIKLDN-UHFFFAOYSA-N",384437,NA,"PDBC26339","674215","Present",NA,NA
+"26340","5-Bromo-N-(2-chlorophenyl)-N-(6-chloro-7-methyl-1, 4,2-benzodithiazin-3-yl)-2-thienylsulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-N-(2-chlorophenyl)-N-(6-chloro-7-methyl-1,1-diox...",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(C3=CC=CC=C3Cl)S(=O)(=O)C4=CC=C(S4)Br","XPBARBQPWMOYRS-UHFFFAOYSA-N",24206074,NA,"PDBC26340","740011","Present",NA,NA
+"26341","5-Bromo-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-N-(2-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,"CC1C(=O)N(C2(S1)CCCCC2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5","QVXVNCRZHRJCEN-UHFFFAOYSA-N",24205438,NA,"PDBC26341","735532","Present",NA,NA
+"26342","5-Bromo-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,"C1CCC2(C1)N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5","MWXOBRAOOBZFOH-UHFFFAOYSA-N",24205440,NA,"PDBC26342","735534","Present",NA,NA
+"26343","5-Bromo-N-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-N-(3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,"C1CCC2(CC1)N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)Br)C5=CC=CC=C5","ULTLIRCZHQBKNH-UHFFFAOYSA-N",24205439,NA,"PDBC26343","735533","Present",NA,NA
+"26344","5-Bromo-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]thiophene-2-carboxamide",NA,"C1=C(OC(=C1)[N+](=O)[O-])C=CC=NNC(=O)C2=CC=C(S2)Br","ZWLOUSZGJLDFGD-KGYSUWQBSA-N",9572560,NA,"PDBC26344","720238","Present",NA,NA
+"26345","5-Bromosalicylaldehyde (5-nitro-2-pyridyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-144122",NA,"C1=CC(=C(C=C1Br)C=NNC2=NC=C(C=C2)[N+](=O)[O-])O","ZQIADEYGHBCJQP-UUASQNMZSA-N",135408600,NA,"PDBC26345","52427","Present",NA,NA
+"26346","5-Butan-2-yl-2,4,6-trichloropyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Butan-2-yl-2,4,6-trichloropyrimidine",NA,"CCC(C)C1=C(N=C(N=C1Cl)Cl)Cl","UMJHCDWEUQUBNJ-UHFFFAOYSA-N",260781,NA,"PDBC26346","92495","Present",NA,NA
+"26347","5-Butyl-2,3-diphenyl-1,4-dithiine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Butyl-2,3-diphenyl-1,4-dithiine",NA,"CCCCC1=CSC(=C(S1)C2=CC=CC=C2)C3=CC=CC=C3","AGELAKVYFZHFTN-UHFFFAOYSA-N",360775,NA,"PDBC26347","623129","Present",NA,NA
+"26348","5-Butyl-2-(4-methoxyphenyl)-4-propyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Butyl-2-(4-methoxyphenyl)-4-propyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CCCCC1C(C2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=C(C=C5)OC)CCC","PMONBFSPMKSPTJ-UHFFFAOYSA-N",379253,NA,"PDBC26348","663667","Present",NA,NA
+"26349","5-Butyl-3-(3-nitrophenyl)-4,5-dihydroisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Butyl-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole",NA,"CCCCC1CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-]","ZNTMTVVDNBCKBS-UHFFFAOYSA-N",368756,NA,"PDBC26349","639910","Present",NA,NA
+"26350","5-Butyl-3-(4-chlorophenyl)-4,5-dihydroisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Butyl-3-(4-chlorophenyl)-4,5-dihydroisoxazole",NA,"CCCCC1CC(=NO1)C2=CC=C(C=C2)Cl","UZHBKYYMQHRQFG-UHFFFAOYSA-N",368755,NA,"PDBC26350","639909","Present",NA,NA
+"26351","5-Butyl-5-[(4-morfolinyl)methyl]2-[(4-carbethoxymethylthiazo l-2-yl)imino]-4-thiazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Butyl-5-[(4-morfolinyl)methyl]2-[(4-carbethoxymethylth...",NA,"CCCCC1(C(=O)NC(=NC2=NC(=CS2)CC(=O)OCC)S1)CN3CCOCC3","MJVZWEXYDNYLKQ-UHFFFAOYSA-N",135580418,NA,"PDBC26351","736279","Present",NA,NA
+"26352","5-Butyryl-1-methyl-2(1H)-pyridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Butyryl-1-methyl-2(1H)-pyridinone",NA,"CCCC(=O)C1=CN(C(=O)C=C1)C","COTMYSWOSDWCOY-UHFFFAOYSA-N",370862,NA,"PDBC26352","644595","Present",NA,NA
+"26353","5-Chloro-1,3,3-trimethyl-2-methyleneindoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indoline, 5-chloro-1,3,3-trimethyl-2-methylene- (8ci)",NA,"CC1(C(=C)N(C2=C1C=C(C=C2)Cl)C)C","VDMXGJJMPKAYQP-UHFFFAOYSA-N",81308,NA,"PDBC26353","158263","Present",NA,NA
+"26354","5-Chloro-1-(3-O-benzoyl-2,6-dideoxy-alpha-L-glycero-hex-2-enopyranos-4-ulosyl) uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-1-(3-O-benzoyl-2,6-dideoxy-.alpha.-L-glycero-he...",NA,"CC1C(=O)C(=CC(O1)N2C=C(C(=O)NC2=O)Cl)OC(=O)C3=CC=CC=C3","PQRXZUOVFGTYQQ-UHFFFAOYSA-N",365891,NA,"PDBC26354","633972","Present",NA,NA
+"26355","5-Chloro-1-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-9H-fluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-1-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-9H-fluoren-9-one",NA,"CC1(COC(=N1)C2=CC=CC3=C2C(=O)C4=C3C(=CC=C4)Cl)C","WGIRZDQENSXJQF-UHFFFAOYSA-N",370765,NA,"PDBC26355","644288","Present",NA,NA
+"26356","5-Chloro-1-(4,5-dihydro-1H-imidazole-2-yl)-3-(pyrrolizinocarbonyl)-1H-benzimidazole-2(3H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Chloro-3-(4,5-dihydro-1H-imidazol-2-yl)-2-iminobenzimidazol-1-yl]-pyrrolidin-1-ylmethanone",NA,"C1CCN(C1)C(=O)N2C3=C(C=CC(=C3)Cl)N(C2=N)C4=NCCN4","ZXOKALBZYAEQES-UHFFFAOYSA-N",400915,NA,"PDBC26356","713599","Present",NA,NA
+"26357","5-Chloro-1-oxido-2-phenylindol-1-ium-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-1-oxido-2-phenyl-indol-1-ium-3-one",NA,"C1=CC=C(C=C1)C2=[N+](C3=C(C2=O)C=C(C=C3)Cl)[O-]","QDQMICQBCNQCIY-UHFFFAOYSA-N",362361,NA,"PDBC26357","626107","Present",NA,NA
+"26358","5-Chloro-2-((4-fluorobenzyl)sulfonyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrimidine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-2-{[(4-fluorophenyl)methane]sulfonyl}-N- (5-met...",NA,"CC1=NN=C(S1)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=C(C=C3)F","IVZQUWCWXYFPOQ-UHFFFAOYSA-N",16446482,NA,"PDBC26358","789703","Present",NA,NA
+"26359","5-Chloro-2-(1H-indol-1-yl)-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-2-(1H-indol-1-yl)-1,3-benzothiazole",NA,"C1=CC=C2C(=C1)C=CN2C3=NC4=C(S3)C=CC(=C4)Cl","IROFCXZRUHPDIZ-UHFFFAOYSA-N",379953,NA,"PDBC26359","665145","Present",NA,NA
+"26360","5-Chloro-2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-1H-benzo[d]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C3=NC4=C(N3)C=C(C=C4)Cl","JGSQUZBEDIGWSR-UHFFFAOYSA-N",136929712,NA,"PDBC26360","768421","Present",NA,NA
+"26361","5-Chloro-2-(4-chlorobenzyl)-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-2-(4-chlorobenzyl)-1,3-benzoxazole",NA,"C1=CC(=CC=C1CC2=NC3=C(O2)C=CC(=C3)Cl)Cl","GPMLWTSJHYVADB-UHFFFAOYSA-N",401569,NA,"PDBC26361","715264","Present",NA,NA
+"26362","5-Chloro-2-(chloromethyl)-1,3-benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoxazole, 5-chloro-2-(chloromethyl)-",NA,"C1=CC2=C(C=C1Cl)N=C(O2)CCl","SMGVJNOYBXYDFB-UHFFFAOYSA-N",401571,NA,"PDBC26362","715266","Present",NA,NA
+"26363","5-Chloro-2-(o-tolyl)-1-oxido-indol-1-ium-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-2-(o-tolyl)-1-oxido-indol-1-ium-3-one",NA,"CC1=CC=CC=C1C2=[N+](C3=C(C2=O)C=C(C=C3)Cl)[O-]","JYEHVYQXKLGAKO-UHFFFAOYSA-N",362364,NA,"PDBC26363","626110","Present",NA,NA
+"26364","5-Chloro-2-({(2E)-3-[(6-chloro-3-hydroxyquinoxalin-2-yl)methyl]-2-hydrazono-4-methoxy-4-oxobutanoyl}amino)-4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-2-[[(2E)-3-[(6-chloro-3-oxo-4H-quinoxalin-2-yl)methyl]-2-hydrazinylidene-4-methoxy-4-oxobutanoyl]amino]-4-methylbenzenesulfonic acid",NA,"CC1=CC(=C(C=C1Cl)S(=O)(=O)O)NC(=O)C(=NN)C(CC2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","ZHOJXKTUXQOCGC-MTDXEUNCSA-N",9574370,NA,"PDBC26364","641423","Present",NA,NA
+"26365","5-Chloro-2-[(2-phenoxyacetyl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-2-(2-phenoxyacetamido)benzamide",NA,"C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)N","CIGKJXXJTLFELJ-UHFFFAOYSA-N",122187997,NA,"PDBC26365","773277","Present",NA,NA
+"26366","5-Chloro-2-[(2-phenylbenzoyl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-carbamoyl-4-chlorophenyl)biphenyl-2-carboxamide",NA,"C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N","XLRFYWXAIGRMCT-UHFFFAOYSA-N",137632631,NA,"PDBC26366","778843","Present",NA,NA
+"26367","5-Chloro-2-[(4-chloro-2-hydroxyphenyl)methyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2,2'-methylenebis[5-chloro- (8CI9CI)",NA,"C1=CC(=C(C=C1Cl)O)CC2=C(C=C(C=C2)Cl)O","PMYWWZKCZCXDPU-UHFFFAOYSA-N",94814,NA,"PDBC26367","3947","Present",NA,NA
+"26368","5-Chloro-2-[(4-nitrobenzoyl)amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHCUSRZMXVSBFJ-UHFFFAOYSA-N",NA,"C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)[N+](=O)[O-]","PHCUSRZMXVSBFJ-UHFFFAOYSA-N",362495,NA,"PDBC26368","626518","Present",NA,NA
+"26369","5-Chloro-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Chloro-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzof...",NA,"C1=CC2=C(C=C1Cl)C(=O)C(=CC3=CC=C(O3)[N+](=O)[O-])O2","KZDFKLCZCSDWJP-WDZFZDKYSA-N",12024467,NA,"PDBC26369","772280","Present",NA,NA
+"26370","5-Chloro-2-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-2-[2-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]ethyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C","XPYCIEZOJIEUKS-UHFFFAOYSA-N",279528,NA,"PDBC26370","130227","Present",NA,NA
+"26371","5-Chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-2-[4-[2-chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]butyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)Cl)S(=O)(=O)F)Cl)N)N)C","FURZNMVXZOZPJF-UHFFFAOYSA-N",278507,NA,"PDBC26371","128186","Present",NA,NA
+"26372","5-Chloro-2-ethyl-4H-pyrido[3,2-g]quinoxalin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-2-ethyl-4H-pyrido[3,2-g]quinoxalin-3-one",NA,"CCC1=NC2=C(C(=C3C(=C2)C=CC=N3)Cl)NC1=O","PEOKNYMWBYXUBA-UHFFFAOYSA-N",403219,NA,"PDBC26372","717878","Present",NA,NA
+"26373","5-Chloro-2-hydrazino-4-(4-methoxybenzylidene)-4H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-2-hydrazino-4-(4-methoxybenzylidene)-4H-imidazole",NA,"COC1=CC=C(C=C1)C=C2C(=NC(=N2)NN)Cl","FLWDNHRHUVKKSR-TWGQIWQCSA-N",5924811,NA,"PDBC26373","684404","Present",NA,NA
+"26374","5-Chloro-2-methyl-4-oxo-1,5-diazaspiro[5.5]undec-1-en-3-yl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-2-methyl-4-oxo-1,5-diazaspiro[5.5]undec-1-en-3-yl thiocyanate",NA,"CC1=NC2(CCCCC2)N(C(=O)C1SC#N)Cl","ZLRSAEBHZRFXLB-UHFFFAOYSA-N",381563,NA,"PDBC26374","668352","Present",NA,NA
+"26375","5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-2-phenyl-2,3-dihydro-1H-1,3,2-benzodiazaphosphole 2-sulfide",NA,"C1=CC=C(C=C1)P2(=S)NC3=C(N2)C=C(C=C3)Cl","BZBDLTMAECHPOY-UHFFFAOYSA-N",258918,NA,"PDBC26375","88381","Present",NA,NA
+"26376","5-Chloro-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide",NA,"C1=CC=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)N","HYPSGXHZSSDILX-RMKNXTFCSA-N",53329233,NA,"PDBC26376","748145","Present",NA,NA
+"26377","5-Chloro-2H-1,2,3-triazole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH3687539",NA,"C1(=NNN=C1Cl)C(=O)O","RONLJTWPNUWVKD-UHFFFAOYSA-N",388837,NA,"PDBC26377","684032","Present",NA,NA
+"26378","5-Chloro-2[(E)-2-(4-nitrophenyl)vinyl]-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-2[(E)-2-(4-nitrophenyl)vinyl]-1H-benzimidazole",NA,"C1=CC(=CC=C1C=CC2=NC3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-]","NVZVMJRWSLHMPR-FPYGCLRLSA-N",15373173,NA,"PDBC26378","736042","Present",NA,NA
+"26379","5-Chloro-2h-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chlorocoumarin",NA,"C1=CC2=C(C=CC(=O)O2)C(=C1)Cl","VYFHMNIBSWVKIH-UHFFFAOYSA-N",230978,NA,"PDBC26379","26427","Present",NA,NA
+"26380","5-Chloro-3,3-bis(6-methoxy-1-methylindol-3-yl)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-6'-methoxy-3-(6-methoxy-1H-indol-3-yl)-3,3'-bi(1'H-indol)-2-one",NA,"CN1C=C(C2=C1C=C(C=C2)OC)C3(C4=C(C=CC(=C4)Cl)NC3=O)C5=CN(C6=C5C=CC(=C6)OC)C","KIZGVLRDEQKUEV-UHFFFAOYSA-N",155816040,NA,"PDBC26380","756898","Present",NA,NA
+"26381","5-Chloro-3-(1-phenyl-1H-tetraazol-5-yl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-3-(1-phenyl-1H-tetrazol-5-yl)-1H-indole",NA,"C1=CC=C(C=C1)N2C(=NN=N2)C3=CNC4=C3C=C(C=C4)Cl","PXIVFERFHLBIGX-UHFFFAOYSA-N",406791,NA,"PDBC26381","725076","Present",NA,NA
+"26382","5-Chloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-3-(2-(2-furyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,"CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=CO3)O)Cl","QBHIUPQPVDCONJ-UHFFFAOYSA-N",366665,NA,"PDBC26382","635340","Present",NA,NA
+"26383","5-Chloro-3-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-3-(2-(4-chlorophenyl)-1-methyl-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,"CC1=CC(=CC2=C1NC(=O)C2(C(C)C(=O)C3=CC=C(C=C3)Cl)O)Cl","PQRBZIDVWQNJIV-UHFFFAOYSA-N",366645,NA,"PDBC26383","635320","Present",NA,NA
+"26384","5-Chloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-3-(2-(4-fluorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,"CC1=CC(=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)F)O)Cl","RHVQJNXKHKHQTA-UHFFFAOYSA-N",366723,NA,"PDBC26384","635440","Present",NA,NA
+"26385","5-Chloro-3-(bromomethyl)pyrido[2,3-g]quinoxaline-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Bromomethyl)-5-chloropyrido[2,3-g]quinoxalin-2(1h)-one",NA,"C1=CC2=CC3=C(C(=C2N=C1)Cl)N=C(C(=O)N3)CBr","YLEGGGIDXPNMTL-UHFFFAOYSA-N",403465,NA,"PDBC26385","718366","Present",NA,NA
+"26386","5-Chloro-3-(trifluoromethyl)pyrido[2,3-g]quinoxaline-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-3-(trifluoromethyl)pyrido[2,3-g]quinoxalin-2(1h)-one",NA,"C1=CC2=CC3=C(C(=C2N=C1)Cl)N=C(C(=O)N3)C(F)(F)F","QQLLYDCHFHTYHQ-UHFFFAOYSA-N",403217,NA,"PDBC26386","717876","Present",NA,NA
+"26387","5-Chloro-3-[(Z)-[1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=C(NC4=C3C=C(C=C4)Cl)O)C=C5C2=NC6=CC=CC=C65","XKBTXGDVSVILHN-VKAVYKQESA-N",155813127,NA,"PDBC26387","761819","Present",NA,NA
+"26388","5-Chloro-3-[(Z)-[1-(3,5-dimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-((1-(3,5-dimethoxyphenyl)-9H-pyrido[3,4-b...",NA,"COC1=CC(=CC(=C1)C2=NC(=CC3=C(NC4=C3C=C(C=C4)Cl)O)C=C5C2=NC6=CC=CC=C65)OC","QILUGWVVEUGDFM-LGMDPLHJSA-N",155805106,NA,"PDBC26388","761834","Present",NA,NA
+"26389","5-Chloro-3-[(Z)-[1-(4-fluoro-3-methoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-((1-(4-fluoro-3-methoxyphenyl)-9H-pyrido[...",NA,"COC1=C(C=CC(=C1)C2=NC(=CC3=C(NC4=C3C=C(C=C4)Cl)O)C=C5C2=NC6=CC=CC=C65)F","WSVVRAYRTIHPHY-SSZFMOIBSA-N",155805105,NA,"PDBC26389","761830","Present",NA,NA
+"26390","5-Chloro-3-[(Z)-[2-(3,4,5-trimethoxyphenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-((2-(3,4,5-trimethoxyphenyl)-3H-benzo[d]i...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC3=CC(=CC4=C(NC5=C4C=C(C=C5)Cl)O)C=CC3=N2","YERKNGQZWXFQPD-JYRVWZFOSA-N",155811197,NA,"PDBC26390","763692","Present",NA,NA
+"26391","5-Chloro-3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-((2-(3,5-difluorophenyl)-3H-benzo[d]imida...",NA,"C1=CC2=C(C=C1Cl)C(=C(N2)O)C=C3C=CC4=NC(=NC4=C3)C5=CC(=CC(=C5)F)F","GWNVINVNUUSGEG-WZUFQYTHSA-N",155810050,NA,"PDBC26391","763633","Present",NA,NA
+"26392","5-Chloro-3-[(Z)-[2-(4-fluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-((2-(4-fluorophenyl)-3H-benzo[d]imidazol-...",NA,"C1=CC(=CC=C1C2=NC3=CC(=CC4=C(NC5=C4C=C(C=C5)Cl)O)C=CC3=N2)F","WLXOQCHCRCGBIU-XFXZXTDPSA-N",155805098,NA,"PDBC26392","763625","Present",NA,NA
+"26393","5-Chloro-3-[(Z)-[2-(4-methoxyphenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-((2-(4-methoxyphenyl)-3H-benzo[d]imidazol...",NA,"COC1=CC=C(C=C1)C2=NC3=CC(=CC4=C(NC5=C4C=C(C=C5)Cl)O)C=CC3=N2","FKQHHLAZIRDNJP-RAXLEYEMSA-N",137225047,NA,"PDBC26393","763684","Present",NA,NA
+"26394","5-Chloro-3-[(Z)-[2-[4-(trifluoromethyl)phenyl]benzimidazol-5-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-chloro-3-((2-(4-(trifluoromethyl)phenyl)-3H-benzo[...",NA,"C1=CC(=CC=C1C2=NC3=CC(=CC4=C(NC5=C4C=C(C=C5)Cl)O)C=CC3=N2)C(F)(F)F","RQAGEADOQLXZMQ-XFXZXTDPSA-N",155816050,NA,"PDBC26394","763643","Present",NA,NA
+"26395","5-Chloro-3-[5-(5-chloro-1-methylindol-3-yl)thiophen-2-yl]-1-methylindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3?-THIENE-2,5-DIYLBIS(5-CHLORO-1-METHYL-1H-INDOLE)",NA,"CN1C=C(C2=C1C=CC(=C2)Cl)C3=CC=C(S3)C4=CN(C5=C4C=C(C=C5)Cl)C","OTUXETQHUVDMFV-UHFFFAOYSA-N",45027914,NA,"PDBC26395","740106","Present",NA,NA
+"26396","5-Chloro-3-hydroxy-7-methyl-3-(2-(4-methylphenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-3-hydroxy-7-methyl-3-(2-(4-methylphenyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,"CC1=CC=C(C=C1)C(=O)CC2(C3=C(C(=CC(=C3)Cl)C)NC2=O)O","SIKDAOIHNMSSBI-UHFFFAOYSA-N",366640,NA,"PDBC26396","635315","Present",NA,NA
+"26397","5-Chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635313///5-chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-...",NA,"CC1=CC(=CC2=C1NC(=O)C2(C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O)Cl","JMXWDYGKEGMKQH-UHFFFAOYSA-N",366638,NA,"PDBC26397","635313///635435","Present",NA,NA
+"26398","5-Chloro-3-isopropylpyrido[2,3-g]quinoxalin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-3-isopropylpyrido[2,3-g]quinoxalin-2-ol",NA,"CC(C)C1=NC2=C(C=C3C=CC=NC3=C2Cl)NC1=O","YVLHHQVCPCBZRW-UHFFFAOYSA-N",393631,NA,"PDBC26398","695839","Present",NA,NA
+"26399","5-Chloro-3-nitro-benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-3-nitrobenzimidazo[1,2-a]quinoline-6-carbonitrile",NA,"C1=CC=C2C(=C1)N=C3N2C4=C(C=C(C=C4)[N+](=O)[O-])C(=C3C#N)Cl","RLTLLIMCLGWMFF-UHFFFAOYSA-N",393011,NA,"PDBC26399","694261","Present",NA,NA
+"26400","5-Chloro-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACT06313",NA,"C1=CC2=C(C(=C1)Cl)C(=O)NC=N2","ZDPCOXNOQQRKCN-UHFFFAOYSA-N",135429916,NA,"PDBC26400","601362","Present",NA,NA
+"26401","5-Chloro-4-(chloro(difluoro)methyl)-5,5-difluoro-4-hydroxy-2-pentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-4-(chloro(difluoro)methyl)-5,5-difluoro-4-hydroxy-2-pentanone",NA,"CC(=O)CC(C(F)(F)Cl)(C(F)(F)Cl)O","WQHXNSZSKHEVHP-UHFFFAOYSA-N",377601,NA,"PDBC26401","659176","Present",NA,NA
+"26402","5-Chloro-4-(chloro(difluoro)methyl)-5,5-difluoro-4-hydroxy-2-pentanone phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-4-(chloro(difluoro)methyl)-5,5-difluoro-4-hydroxy-2-pentanone phenylhydrazone",NA,"CC(=NNC1=CC=CC=C1)CC(C(F)(F)Cl)(C(F)(F)Cl)O","YIDSSMPKFICQOR-UFWORHAWSA-N",6287608,NA,"PDBC26402","663988","Present",NA,NA
+"26403","5-Chloro-4-[(2E)-2-(2-oxo-1,2-diphenylethylidene)hydrazinyl]-1H-pyridazin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-4-[(2E)-2-(2-oxo-1,2-diphenylethylidene)hydrazinyl]-1H-pyridazin-6-one",NA,"C1=CC=C(C=C1)C(=NNC2=C(C(=O)NN=C2)Cl)C(=O)C3=CC=CC=C3","QFAOICFSALFBQW-CJLVFECKSA-N",9561703,NA,"PDBC26403","69049","Present",NA,NA
+"26404","5-Chloro-4-[(4-chlorophenyl)carbamoyl]-2-[[(Z)-2-cyano-1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-oxo-3-phenylprop-1-enyl]sulfamoyl]benzenethiolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-benzoyl-3-[4-chloro-5-(4-chlorophenylcarbamoyl)-2-sulf...",NA,"CN(C)C1=CC=[N+](C=C1)C(=C(C#N)C(=O)C2=CC=CC=C2)NS(=O)(=O)C3=C(C=C(C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl)[S-]","UDUJJRLERYJYHZ-UHFFFAOYSA-N",135436422,NA,"PDBC26404","723143","Present",NA,NA
+"26405","5-Chloro-4-hydrazinoquinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-4-hydrazinoquinazoline",NA,"C1=CC2=C(C(=C1)Cl)C(=NC=N2)NN","UIZDMFDDQVMVSH-UHFFFAOYSA-N",353384,NA,"PDBC26405","601363","Present",NA,NA
+"26406","5-Chloro-4-iodo-1H-indole-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-4-iodo-1H-indole-2,3-dione",NA,"C1=CC(=C(C2=C1NC(=O)C2=O)I)Cl","AQJBGXYZTOJOKK-UHFFFAOYSA-N",374000,NA,"PDBC26406","651040","Present",NA,NA
+"26407","5-Chloro-4-methyl-1,2,3-benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621194",NA,"CC1=C(C=CC2=[S+]SN=C12)Cl.[Cl-]","FGDKHIXYHNWPED-UHFFFAOYSA-M",359748,NA,"PDBC26407","621194","Present",NA,NA
+"26408","5-Chloro-4-methyl-2-((2-oxo-3-(2-quinoxalinyl)propanoyl)amino)benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-4-methyl-2-((2-oxo-3-(2-quinoxalinyl)propanoyl)amino)benzenesulfonic acid",NA,"CC1=CC(=C(C=C1Cl)S(=O)(=O)O)NC(=O)C(=O)CC2=NC3=CC=CC=C3N=C2","JPKQGBJWBZFFKS-UHFFFAOYSA-N",373358,NA,"PDBC26408","649573","Present",NA,NA
+"26409","5-Chloro-5-methoxy-2-(4-methoxyphenyl)cyclohexanecarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-5-methoxy-2-(4-methoxyphenyl)cyclohexanecarbaldehyde",NA,"COC1=CC=C(C=C1)C2CCC(CC2C=O)(OC)Cl","KPMOARVPBQKECG-UHFFFAOYSA-N",372280,NA,"PDBC26409","647338","Present",NA,NA
+"26410","5-Chloro-6-(1-hydroxy-2-(4-(2-pyridinylmethyl)-1-piperazinyl)ethyl)-3-methyl-1,3-benzoxazol-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-6-[1-hydroxy-2-[4-(2-pyridylmethyl)piperazin-1-yl]ethyl]-3-methyl-1,3-benzoxazol-2-one",NA,"CN1C2=C(C=C(C(=C2)Cl)C(CN3CCN(CC3)CC4=CC=CC=N4)O)OC1=O","BINBQTINYCLDQA-UHFFFAOYSA-N",384072,NA,"PDBC26410","673294","Present",NA,NA
+"26411","5-Chloro-6-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylene]hydrazino]thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-6-[2-[(2E)-2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1,3-thiazol-4-yl]-3-methyl-1,3-benzoxazol-2-one",NA,"CN1C2=C(C=C(C(=C2)Cl)C3=CSC(=N3)NN=CC4=CC(=C(C=C4)OC)OC)OC1=O","NMZCVFJKRYFQSK-LSFURLLWSA-N",9570019,NA,"PDBC26411","632134","Present",NA,NA
+"26412","5-Chloro-6-fluoro-2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-5-fluoro-2-(3-(4-methoxyphenyl)imidazo[1,5-a]py...",NA,"COC1=CC=C(C=C1)C2=NC(=C3N2C=CC=C3)C4=NC5=CC(=C(C=C5N4)F)Cl","FEASBOFHLWVMFR-UHFFFAOYSA-N",155808283,NA,"PDBC26412","766333","Present",NA,NA
+"26413","5-Chloro-6-nitroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-6-nitroquinoline",NA,"C1=CC2=C(C=CC(=C2Cl)[N+](=O)[O-])N=C1","UEYYCZFZTFTKAY-UHFFFAOYSA-N",236923,NA,"PDBC26413","39969","Present",NA,NA
+"26414","5-Chloro-7-[(3-pyrrolidin-1-ylpropylamino)methyl]quinolin-8-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 5-chloro-7-[[[3-(1-pyrrolidinyl)propyl]ami...",NA,"C1CCN(C1)CCCNCC2=CC(=C3C=CC=NC3=C2O)Cl.Cl","GXMMLAHUEYYJBJ-UHFFFAOYSA-N",54607044,NA,"PDBC26414","178123","Present",NA,NA
+"26415","5-Chloro-7-methyl-1H-indole-2,3-dione;2,2,2-trifluoro-1-phenylethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-7-methyl-1H-indole-2,3-dione;2,2,2-trifluoro-1-phenylethanone",NA,"CC1=CC(=CC2=C1NC(=O)C2=O)Cl.C1=CC=C(C=C1)C(=O)C(F)(F)F","UTCUSBQSTTUKNL-UHFFFAOYSA-N",366709,NA,"PDBC26415","635426","Present",NA,NA
+"26416","5-Chloro-7-methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-7-methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one",NA,"CC1=CC(=CC2=C1NC(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O)Cl","AZWZFLLQVWHCAJ-UHFFFAOYSA-N",3708090,NA,"PDBC26416","118730","Present",NA,NA
+"26417","5-Chloro-7H-naphtho[3,1-ij][2,7]naphthyridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-7H-naphtho[3,2,1-ij][2,7]naphthyridin-7-one",NA,"C1=CC=C2C(=C1)C3=NC=CC4=CC(=NC(=C43)C2=O)Cl","QXMLVWOWWYNRSW-UHFFFAOYSA-N",54613527,NA,"PDBC26417","750107","Present",NA,NA
+"26418","5-Chloro-8-hydroxynaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NAPHTHALENEDIONE, 5-CHLORO-8-HYDROXY-",NA,"C1=CC(=C2C(=O)C=CC(=O)C2=C1O)Cl","GJLFRAOUTIXEIN-UHFFFAOYSA-N",301371,NA,"PDBC26418","178010","Present",NA,NA
+"26419","5-Chloro-8-methyl-2-phenylquinolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-8-methyl-2-phenylquinolin-4-ol",NA,"CC1=C2C(=C(C=C1)Cl)C(=O)C=C(N2)C3=CC=CC=C3","WQTDDEJDGYOWAZ-UHFFFAOYSA-N",375911,NA,"PDBC26419","656248","Present",NA,NA
+"26420","5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-8-quinolinyl 3-(trifluoromethyl)phenylcarbamate",NA,"C1=CC(=CC(=C1)NC(=O)OC2=C3C(=C(C=C2)Cl)C=CC=N3)C(F)(F)F","AJQUXBOOWNSFII-UHFFFAOYSA-N",342201,NA,"PDBC26420","377852","Present",NA,NA
+"26421","5-Chloro-9-methyl-N,N-dipropylimidazo[1,2-a][1,8]naphthyridine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-9-methyl-N,N-dipropylimidazo[1,2-a][1,8]naphthyridine-6-carboxamide",NA,"CCCN(CCC)C(=O)C1=C(C2=C(N=CC=C2)N3C1=NC=C3C)Cl","OLGADBZYLNDLNO-UHFFFAOYSA-N",383769,NA,"PDBC26421","672213","Present",NA,NA
+"26422","5-Chloro-N-(3-((5-chloro-2-pyridinyl)imino)-1-propenyl)-2-pyridinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-N-(3-((5-chloro-2-pyridinyl)imino)-1-propenyl)-2-pyridinamine",NA,"C1=CC(=NC=C1Cl)NC=CC=NC2=NC=C(C=C2)Cl","QQOYEDBNQKVVDM-QEGNHXSSSA-N",9556220,NA,"PDBC26422","676473","Present",NA,NA
+"26423","5-Chloro-N-(4-methylphenyl)-2,4-dinitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/XU5145000",NA,"CC1=CC=C(C=C1)NC2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])Cl","DLFBAMLAMJKMDK-UHFFFAOYSA-N",245680,NA,"PDBC26423","57864","Present",NA,NA
+"26424","5-Chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-N-[(E)-(4-chlorophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide",NA,"C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)Cl)C(=O)NN=CC4=CC=C(C=C4)Cl","SDQLINILQOCWLX-DHRITJCHSA-N",54613553,NA,"PDBC26424","747379","Present",NA,NA
+"26425","5-Chloro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,"CC(=NNC1=NC2=C(S1)C=CC(=C2)Cl)C3=CC=CC=N3","KFQBMSAOITVDSR-GIJQJNRQSA-N",9572096,NA,"PDBC26425","703111","Present",NA,NA
+"26426","5-Chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-3-(trifluoromethyl)pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-N-[(Z)-[phenyl(pyridin-2-yl)methylidene]amino]-3-(trifluoromethyl)pyridin-2-amine",NA,"C1=CC=C(C=C1)C(=NNC2=C(C=C(C=N2)Cl)C(F)(F)F)C3=CC=CC=N3","CTJPCKPVHCXBCQ-XYGWBWBKSA-N",6067084,NA,"PDBC26426","693629","Present",NA,NA
+"26427","5-Chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=C(C=C1)Cl)C=CC(=N2)C3=CC=CC=C3.Cl","IJJWSWNLRCXVGJ-UHFFFAOYSA-N",358084,NA,"PDBC26427","617935","Present",NA,NA
+"26428","5-Chloro-N-cyclohexyl-1H-1,2,3-triazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-N-cyclohexyl-1H-1,2,3-triazole-4-carboxamide",NA,"C1CCC(CC1)NC(=O)C2=NNN=C2Cl","FRYUOWZQLUXSDK-UHFFFAOYSA-N",389969,NA,"PDBC26428","686671","Present",NA,NA
+"26429","5-Chloro-n-(7-chloroquinolin-4-yl)-n,n-diethyl-pentane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC295633///NSC295635",NA,"CCN(CC)CCCC(CCl)NC1=C2C=CC(=CC2=NC=C1)Cl.Cl","CZYWINOOXCGQKY-UHFFFAOYSA-N",54601573,NA,"PDBC26429","295633///295635","Present",NA,NA
+"26430","5-Chloro-pyrazine-2-carboxylic acid hexylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-pyrazine-2-carboxylic acid hexylamide",NA,"CCCCCCNC(=O)C1=CN=C(C=N1)Cl","NLMDXWYTMRLMOX-UHFFFAOYSA-N",406084,NA,"PDBC26430","724002","Present",NA,NA
+"26431","5-Chlorobenzimidazole-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chlorobenzimidazole-1,2-diamine",NA,"C1=CC2=C(C=C1Cl)N=C(N2N)N","BWPDDCOWXFNALZ-UHFFFAOYSA-N",356349,NA,"PDBC26431","611783","Present",NA,NA
+"26432","5-Chlorobenzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzimidazo[1,2-a][1,8]naphthyridine-6-carbonitrile, 5-c...",NA,"C1=CC=C2C(=C1)N=C3N2C4=C(C=CC=N4)C(=C3C#N)Cl","QJDWMTFGWKXMHT-UHFFFAOYSA-N",391679,NA,"PDBC26432","691221","Present",NA,NA
+"26433","5-Chlorobenzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chlorobenzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,"C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)Cl","DGLPNHDYUHQAND-UHFFFAOYSA-N",391676,NA,"PDBC26433","691218","Present",NA,NA
+"26434","5-Chlorobenzo-[f]quinoxalin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chlorobenzo[f]quinoxalin-6(4H)-one",NA,"C1=CC=C2C(=C1)C(=C(C3=NC=CN=C23)Cl)O","UZIIBWHVCILJDK-UHFFFAOYSA-N",135409049,NA,"PDBC26434","656782","Present",NA,NA
+"26435","5-Chlorosalicylaldehyde (5-nitro-2-pyridyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-144126",NA,"C1=CC(=C(C=C1Cl)C=NNC2=NC=C(C=C2)[N+](=O)[O-])O","CDWXJSZGBVSYHO-UUASQNMZSA-N",135538372,NA,"PDBC26435","42369","Present",NA,NA
+"26436","5-Chlorosalicylaldehyde isonicotinoylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chlorosalicylaldehyde isonicotinoylhydrazone",NA,"C1=CC(=C(C=C1Cl)C=NNC(=O)C2=CC=NC=C2)O","XBMCOYHOYXSRDF-PXNMLYILSA-N",135431337,NA,"PDBC26436","27607","Present",NA,NA
+"26437","5-Chlorospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chlorospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-thione",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=NC(=S)NN4)Cl","QRYIMJSMYCTEGP-UHFFFAOYSA-N",3001580,NA,"PDBC26437","658718","Present",NA,NA
+"26438","5-Chlorouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chlorouracil",NA,"C1=C(C(=O)NC(=O)N1)Cl","ZFTBZKVVGZNMJR-UHFFFAOYSA-N",15758,NA,"PDBC26438","28172","Present",NA,NA
+"26439","5-Chroman-6-yl-2-(4-pyridyl)oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chroman-6-yl-2-(4-pyridyl)oxazole",NA,"C1CC2=C(C=CC(=C2)C3=CN=C(O3)C4=CC=NC=C4)OC1","SMLFTTRGZDHBIC-UHFFFAOYSA-N",380226,NA,"PDBC26439","665702","Present",NA,NA
+"26440","5-Cinnamoyl-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cinnamoyl-2-methyl-6-phenyl-4-(1-pyrrolidinyl)-3(2H)-pyridazinone",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3)N4CCCC4","OQUPRCDCDJVFDC-CCEZHUSRSA-N",6380583,NA,"PDBC26440","633102","Present",NA,NA
+"26441","5-Cinnamylidenebarbituric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meterocycle",NA,"C1=CC=C(C=C1)C=CC=C2C(=O)NC(=O)NC2=O","CRQHPZFBGAKYRX-QPJJXVBHSA-N",727420,NA,"PDBC26441","93958","Present",NA,NA
+"26442","5-Cuban-1-yl-1H-imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cuban-1-yl-1H-imidazole",NA,"C1=C(NC=N1)C23C4C5C2C6C5C4C36","LVQAPMHWBQPQSE-UHFFFAOYSA-N",383855,NA,"PDBC26442","672597","Present",NA,NA
+"26443","5-Cyano-2-imino-N-(4-methoxyphenyl)-4-(methylthio)-6-oxo-1,2,5,6-tetrahydro-3-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cyano-2-imino-N-(4-methoxyphenyl)-4-(methylthio)-6-oxo-1,2,5,6-tetrahydro-3-pyridinecarboxamide",NA,"COC1=CC=C(C=C1)NC(=O)C2=C(C(C(=O)N=C2N)C#N)SC","XQGUKKLAINSSOW-UHFFFAOYSA-N",390316,NA,"PDBC26443","687608","Present",NA,NA
+"26444","5-Cyano-2-imino-N-(4-methylphenyl)-4-(methylthio)-6-thioxo-1,2,3,6-tetrahydro-3-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cyano-2-imino-N-(4-methylphenyl)-4-(methylthio)-6-thioxo-1,2,3,6-tetrahydro-3-pyridinecarboxamide",NA,"CC1=CC=C(C=C1)NC(=O)C2C(=C(C(=S)N=C2N)C#N)SC","SEHNHLRJEZEOPM-UHFFFAOYSA-N",3005338,NA,"PDBC26444","692041","Present",NA,NA
+"26445","5-Cyano-4-(4-methoxyphenyl)-N,2-diphenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cyano-4-(4-methoxyphenyl)-N,2-diphenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxamide",NA,"COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4)C5C(C(C(C(O5)CO)O)O)O)C#N","REDRMMISQRFKBZ-UHFFFAOYSA-N",395026,NA,"PDBC26445","699188","Present",NA,NA
+"26446","5-Cyano-4-oxo-5-phenyl-N-(3-(trifluoromethyl)phenyl)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cyano-4-oxo-5-phenyl-N-(3-(trifluoromethyl)phenyl)pentanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=O)CCC(=O)NC2=CC=CC(=C2)C(F)(F)F","OAMVGGBWDYDFAD-UHFFFAOYSA-N",364939,NA,"PDBC26446","631825","Present",NA,NA
+"26447","5-Cyano-8-oxobicyclo[3.2.1]oct-2-yl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cyano-8-oxobicyclo[3.2.1]oct-2-yl methanesulfonate",NA,"CS(=O)(=O)OC1CCC2(CCC1C2=O)C#N","XFNXLUAEHUBAGI-UHFFFAOYSA-N",371766,NA,"PDBC26447","646209","Present",NA,NA
+"26448","5-Cyano-N-(3,4-dichlorophenyl)-4-oxo-5-phenylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cyano-N-(3,4-dichlorophenyl)-4-oxo-5-phenylpentanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl","WMJSDAVWOALZSL-UHFFFAOYSA-N",364957,NA,"PDBC26448","631843","Present",NA,NA
+"26449","5-Cyano-N-(3,4-dimethylphenyl)-4-oxo-5-phenylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cyano-N-(3,4-dimethylphenyl)-4-oxo-5-phenylpentanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=O)C(C#N)C2=CC=CC=C2)C","RBHHELFEUPTWBN-UHFFFAOYSA-N",360428,NA,"PDBC26449","622564","Present",NA,NA
+"26450","5-Cyclohexyl-3-(3-nitrophenyl)-4,5-dihydroisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cyclohexyl-3-(3-nitrophenyl)-4,5-dihydro-1,2-oxazole",NA,"C1CCC(CC1)C2CC(=NO2)C3=CC(=CC=C3)[N+](=O)[O-]","LIDYDCSVBDFIMT-UHFFFAOYSA-N",368751,NA,"PDBC26450","639905","Present",NA,NA
+"26451","5-Cyclopentyloxy-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Cyclopentyloxy-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole",NA,"CS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)OC3CCCC3","FHIGIXCAQVCJHZ-UHFFFAOYSA-N",24205506,NA,"PDBC26451","736061","Present",NA,NA
+"26452","5-Decynedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Decynedioic acid",NA,"C(CC#CCCCC(=O)O)CC(=O)O","MYYSSKJPRXUJHE-UHFFFAOYSA-N",151135,NA,"PDBC26452","666699","Present",NA,NA
+"26453","5-Diacetylamino-6-acetylaminopyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Diacetylamino-6-acetylaminopyrimidine-2,4(1H,3H)-dione",NA,"CC(=O)NC1=C(C(=O)NC(=O)N1)N(C(=O)C)C(=O)C","AJMQCASXYFTULT-UHFFFAOYSA-N",371477,NA,"PDBC26453","645751","Present",NA,NA
+"26454","5-Diazo-1-phenyl-9-decene-1,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Diazonio-1,6-dioxo-1-phenyldeca-4,9-dien-4-olate",NA,"C=CCCC(=O)C(=[N+]=[N-])C(=O)CCC(=O)C1=CC=CC=C1","CXZMPLLVNLLUQT-UHFFFAOYSA-N",379017,NA,"PDBC26454","662780","Present",NA,NA
+"26455","5-Diazo-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopentanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-5,5-dimethyl-4-(2-methylprop-1-en-1-yl)cyclopent-1-en-1-olate",NA,"CC(=CC1CC(=[N+]=[N-])C(=O)C1(C)C)C","PRKDHVPTFCQLAG-UHFFFAOYSA-N",371738,NA,"PDBC26455","646182","Present",NA,NA
+"26456","5-Diazo-4-oxo-pentanoic acid diphenylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Diazo-4-oxo-pentanoic acid diphenylamide",NA,"C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)CCC(=O)C=[N+]=[N-]","LAYBFXZXWBFUQG-UHFFFAOYSA-N",379002,NA,"PDBC26456","662772","Present",NA,NA
+"26457","5-Diazotricyclo[4.3.1.13,8]undecan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Diazotricyclo[4.3.1.13,8]undecan-4-one",NA,"C1C2CC3CC1CC(C2)C(=O)C3=[N+]=[N-]","AELLTOPYBRVUAP-UHFFFAOYSA-N",372957,NA,"PDBC26457","648745","Present",NA,NA
+"26458","5-Dichloro-5,5-tetrafluoro-4-hydroxy-2-methylleucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-5-chloro-4-[chloro(difluoro)methyl]-5,5-difluoro-4-hydroxy-2-methyl-pentanoic acid",NA,"CC(CC(C(F)(F)Cl)(C(F)(F)Cl)O)(C(=O)O)N","OMRIVBPYBDNNKV-UHFFFAOYSA-N",377652,NA,"PDBC26458","659232","Present",NA,NA
+"26459","5-Dichloroacetamidouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Dichloroacetamidouracil",NA,"C1=C(C(=O)NC(=O)N1)NC(=O)C(Cl)Cl","MQLBSYBWVCZQDB-UHFFFAOYSA-N",95974,NA,"PDBC26459","45767","Present",NA,NA
+"26460","5-Diethoxyphosphoryl-3-hydroxy-pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Diethoxyphosphoryl-3-hydroxy-pyrrolidin-2-one",NA,"CCOP(=O)(C1CC(C(=O)N1)O)OCC","CQOYTNXTYHLLHW-UHFFFAOYSA-N",390827,NA,"PDBC26460","688885","Present",NA,NA
+"26461","5-Diethoxyphosphoryl-6-(2-thienyl)pyridin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Diethoxyphosphoryl-6-(2-thienyl)pyridin-2-ol",NA,"CCOP(=O)(C1=C(NC(=O)C=C1)C2=CC=CS2)OCC","VGINJBONHKDFQM-UHFFFAOYSA-N",391116,NA,"PDBC26461","689734","Present",NA,NA
+"26462","5-Diethoxyphosphoryloxy-4-methoxy-2-methoxycarbonyl-3,6-dihydropyrrolo[3,2-e]indole-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((Diethoxyphosphoryl)oxy)-5-methoxy-7-(methoxycarbonyl)-3,6-dihydropyrrolo[3,2-e]indole-1-carboxylic acid",NA,"CCOP(=O)(OCC)OC1=C2C(=C3C=C(NC3=C1OC)C(=O)OC)C(=CN2)C(=O)O","JTRYRIJOIVZDAQ-UHFFFAOYSA-N",386821,NA,"PDBC26462","679529","Present",NA,NA
+"26463","5-Dimethylaminomethyleneaminoisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69600",NA,"CN(C)C=NC1=CC=CC2=C1C=CN=C2","YPZWGHLZEZRUQC-UHFFFAOYSA-N",58289,NA,"PDBC26463","665678","Present",NA,NA
+"26464","5-Epi-phomopsolide D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-epi-phomopsolide D",NA,"CC=C(C)C(=O)OC1C=CC(=O)OC1CCC(C(C)O)O","ZFVYHTGRRBKBJE-CAWAPSHXSA-N",45028011,NA,"PDBC26464","740606","Present",NA,NA
+"26465","5-Ethenyl-2-methyl-1-[(pentamethyldisiloxanyl)methyl]pyridinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethenyl-2-methyl-1-[(pentamethyldisiloxanyl)methyl]pyridinium iodide",NA,"CC1=[N+](C=C(C=C1)C=C)C[Si](C)(C)O[Si](C)(C)C.[I-]","AKLKMMXSGHGCAI-UHFFFAOYSA-M",372819,NA,"PDBC26465","648483","Present",NA,NA
+"26466","5-Ethoxy-2'-deoxyuridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethoxy-2'-deoxyuridine",NA,"CCOC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O","RWJGXFUGIXPYLD-UHFFFAOYSA-N",388691,NA,"PDBC26466","683727","Present",NA,NA
+"26467","5-Ethoxy-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethoxy-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidine hydrochloride",NA,"CCOC1C2=CN=C(N=C2C3=CC=CC=C3O1)SC.Cl","SQHPQSWHKMKUIO-UHFFFAOYSA-N",390596,NA,"PDBC26467","688118","Present",NA,NA
+"26468","5-Ethoxy-5H-chromeno[4,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethoxy-5H-chromeno[4,3-d]pyrimidin-2-amine",NA,"CCOC1C2=CN=C(N=C2C3=CC=CC=C3O1)N","VNIMMGBMKWRUEV-UHFFFAOYSA-N",390591,NA,"PDBC26468","688114","Present",NA,NA
+"26469","5-Ethoxy-N-(1-naphthyl)-4,5-dihydro-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethoxy-N-(1-naphthyl)-4,5-dihydro-1,3-thiazol-2-amine",NA,"CCOC1CN=C(S1)NC2=CC=CC3=CC=CC=C32","WYFBKFOXIUUMFQ-UHFFFAOYSA-N",377643,NA,"PDBC26469","659222","Present",NA,NA
+"26470","5-Ethoxycarbonyloxy-3-methyl-3H-pyrrolo[3,2-a]carbazole-10-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethoxycarbonyloxy-3-methyl-3H-pyrrolo[3,2-a]carbazole-10-carboxylic acid ethyl ester",NA,"CCOC(=O)N1C2=CC=CC=C2C3=C(C=C4C(=C31)C=CN4C)OC(=O)OCC","PNLRZSWKKFGKAV-UHFFFAOYSA-N",380503,NA,"PDBC26470","666118","Present",NA,NA
+"26471","5-Ethyl-1,2-dihydro-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-2,4-dihydro-[1,2,4]triazol-3-one",NA,"CCC1=NNC(=O)N1","NSYKPXCGPMWPGL-UHFFFAOYSA-N",135489810,NA,"PDBC26471","679482","Present",NA,NA
+"26472","5-Ethyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione",NA,"CCN1C2=CC=CC=C2C3=C(C1=O)C(=O)NN3","VWCPQHLSFLCVJG-UHFFFAOYSA-N",384973,NA,"PDBC26472","675803","Present",NA,NA
+"26473","5-Ethyl-1,7-dimethyl-3H-indolizin-4-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-1,7-dimethyl-3H-indolizin-4-ium;perchlorate",NA,"CCC1=[N+]2CC=C(C2=CC(=C1)C)C.[O-]Cl(=O)(=O)=O","JYKYNORRQRMFDZ-UHFFFAOYSA-M",13860659,NA,"PDBC26473","622504","Present",NA,NA
+"26474","5-Ethyl-1-methyl-2-[(E)-1-methyl-2-phenyl-vinyl]pyrazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-1-methyl-2-[(E)-1-methyl-2-phenyl-vinyl]pyrazol-3-one",NA,"CCC1=CC(=O)N(N1C)C(=CC2=CC=CC=C2)C","LTBMNAAVSZOFEK-ZRDIBKRKSA-N",5469830,NA,"PDBC26474","693125","Present",NA,NA
+"26475","5-Ethyl-1-phenyl-5-(tetrafluorophthalimido)barbituric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cps45",NA,"CCC1(C(=O)NC(=O)N(C1=O)C2=CC=CC=C2)N3C(=O)C4=C(C3=O)C(=C(C(=C4F)F)F)F","VEOGKKIBNYROKA-UHFFFAOYSA-N",9933393,NA,"PDBC26475","726795","Present",NA,NA
+"26476","5-Ethyl-11-oxo-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-11-oxo-7,8,9,10-tetrahydrobenzimidazolo[1,2-b]isoquinoline-6-carbonitrile",NA,"CCN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)CCCC4)C#N","PYMINZCEDGXSDR-UHFFFAOYSA-N",387846,NA,"PDBC26476","682006","Present",NA,NA
+"26477","5-Ethyl-2,2-dimethyl-3,10-dihydro-1H-phenothiazin-5-ium-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-2,2-dimethyl-1,3-dihydrophenothiazin-5-ium-4-olate",NA,"CCS1=C2C(=NC3=CC=CC=C31)CC(CC2=O)(C)C","WDWTYZXDZOTJJA-UHFFFAOYSA-N",390748,NA,"PDBC26477","688507","Present",NA,NA
+"26478","5-Ethyl-2,5-diphenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-2,5-diphenyl-1-(2-phenylethyl)-1,5-dihydro-4H-imidazol-4-one",NA,"CCC1(C(=O)N=C(N1CCC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","WFROSGCKIVNHOI-UHFFFAOYSA-N",387713,NA,"PDBC26478","681742","Present",NA,NA
+"26479","5-Ethyl-2-(2-(1-piperidinyl)ethyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-2-(2-(1-piperidinyl)ethyl)pyridine",NA,"CCC1=CN=C(C=C1)CCN2CCCCC2","RUGIKZBYEUXNID-UHFFFAOYSA-N",229287,NA,"PDBC26479","22819","Present",NA,NA
+"26480","5-Ethyl-2-(2-thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-2-(2-thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine",NA,"CCC1=NC(=C2C(=N1)OC(=N2)C3=CC=CS3)N","NZWVQCYIHRAPOV-UHFFFAOYSA-N",387391,NA,"PDBC26480","681139","Present",NA,NA
+"26481","5-Ethyl-2-(4-methyl-2-pyridinyl)-6-phenyl-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-2-(4-methyl-2-pyridinyl)-6-phenyl-3,6-dihydro-2H-1,2-oxazine",NA,"CCC1=CCN(OC1C2=CC=CC=C2)C3=NC=CC(=C3)C","VQKRIAORKSDPAJ-UHFFFAOYSA-N",370842,NA,"PDBC26481","644548","Present",NA,NA
+"26482","5-Ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-2-[(4-methylpiperazin-1-yl)methyl]-4-[(Z)-[5-(4-nitrophenyl)furan-2-yl]methylideneamino]-1,2,4-triazole-3-thione",NA,"CCC1=NN(C(=S)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])CN4CCN(CC4)C","VQAKLAVHRZGIHZ-HMAPJEAMSA-N",54611535,NA,"PDBC26482","710776","Present",NA,NA
+"26483","5-Ethyl-2-methyl-4-nitropyridine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC527353",NA,"CCC1=C(C=C([N+](=C1)[O-])C)[N+](=O)[O-]","DANDYWNNFZVYIE-UHFFFAOYSA-N",602706,NA,"PDBC26483","527353","Present",NA,NA
+"26484","5-Ethyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CCC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5","GTQKXNGZWXCFBI-UHFFFAOYSA-N",362431,NA,"PDBC26484","626380","Present",NA,NA
+"26485","5-Ethyl-3,9-dihydroxy-11H-indolo[3,2-c]quinolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-3,9-dihydroxy-11H-indolo[3,2-c]quinolin-6-one",NA,"CCN1C2=C(C=CC(=C2)O)C3=C(C1=O)C4=C(N3)C=C(C=C4)O","DGWKVCKSOBTIFW-UHFFFAOYSA-N",5465649,NA,"PDBC26485","658203","Present",NA,NA
+"26486","5-Ethyl-3,9-dimethoxy-5,11-dihydro-6H-indolo[3,2-c]quinolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-3,9-dimethoxy-5,11-dihydro-6H-indolo[3,2-c]quinolin-6-one",NA,"CCN1C2=C(C=CC(=C2)OC)C3=C(C1=O)C4=C(N3)C=C(C=C4)OC","RAABQANJLMSOKK-UHFFFAOYSA-N",376983,NA,"PDBC26486","658204","Present",NA,NA
+"26487","5-Ethyl-4-(2-naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-4-(2-naphthyl)-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,"CCC1=NNC(=O)N1C2=CC3=CC=CC=C3C=C2","LXESHGPHBZUTJS-UHFFFAOYSA-N",385481,NA,"PDBC26487","676717","Present",NA,NA
+"26488","5-Ethyl-4-[[[5-(2-chlorophenyl)furan-2-yl]methylene]amino]-4H-1,2,4-triazole-3-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-4-[[[5-(2-chlorophenyl)furan-2-yl]methylene]amino]-4H-1,2,4-triazole-3-thiol",NA,"CCC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=CC=C3Cl","LCZLHXVKJUGTLY-MFOYZWKCSA-N",6520413,NA,"PDBC26488","710763","Present",NA,NA
+"26489","5-Ethyl-4-[[[5-(2-nitrophenyl)furan-2-yl]methylene]amino]-4H-1,2,4-triazole-3-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-4-[[[5-(2-nitrophenyl)furan-2-yl]methylene]amino]-4H-1,2,4-triazole-3-thiol",NA,"CCC1=NNC(=S)N1N=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]","DUHDDLMPVCAGBA-SXGWCWSVSA-N",6520412,NA,"PDBC26489","710762","Present",NA,NA
+"26490","5-Ethyl-4-pyridin-4-yl-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-ethyl-4-(4-pyridyl)-1H-1,2,4-triazol-5-one",NA,"CCC1=NNC(=O)N1C2=CC=NC=C2","OSZLIPPSZHTEIX-UHFFFAOYSA-N",386149,NA,"PDBC26490","677781","Present",NA,NA
+"26491","5-Ethyl-5,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-5,6-dihydroxyhexahydro-2H-cyclopenta[b]furan-2-one",NA,"CCC1(CC2CC(=O)OC2C1O)O","OGRVWFVCTSPZKH-UHFFFAOYSA-N",395127,NA,"PDBC26491","699418","Present",NA,NA
+"26492","5-Ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-5-(2-(ethylamino)ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,"CCC1(C(=O)NC(=O)NC1=O)CCNCC","HSZVKXDGGILCNR-UHFFFAOYSA-N",257295,NA,"PDBC26492","85262","Present",NA,NA
+"26493","5-Ethyl-6-(4-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-6-(4-methoxyphenyl)-2-(4-methyl-2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine",NA,"CCC1=CCN(OC1C2=CC=C(C=C2)OC)C3=NC=CC(=C3)C","FKGIPVYPZQTBSD-UHFFFAOYSA-N",370845,NA,"PDBC26493","644551","Present",NA,NA
+"26494","5-Ethyl-6-(4-methoxyphenyl)-2-(4-methylphenyl)-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-6-(4-methoxyphenyl)-2-(4-methylphenyl)-3,6-dihydro-2H-1,2-oxazine",NA,"CCC1=CCN(OC1C2=CC=C(C=C2)OC)C3=CC=C(C=C3)C","GOTHRAXFJXUFGG-UHFFFAOYSA-N",370848,NA,"PDBC26494","644554","Present",NA,NA
+"26495","5-Ethyl-7-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-7-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione",NA,"CCN1C(=O)C2=C(NN=C2)N(C1=O)C","GQVSQPSKWOVVCQ-UHFFFAOYSA-N",396525,NA,"PDBC26495","702928","Present",NA,NA
+"26496","5-Ethyl-7-methyl-3H-indolizin-4-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-7-methyl-3H-indolizin-4-ium;perchlorate",NA,"CCC1=CC(=CC2=[N+]1CC=C2)C.[O-]Cl(=O)(=O)=O","NPJUHTWTKICRPS-UHFFFAOYSA-M",14114373,NA,"PDBC26496","622505","Present",NA,NA
+"26497","5-F-Anhydro-ara-C hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aafc",NA,"C1=C(C(=N)N=C2N1C3C(O2)C(C(O3)CO)O)F.Cl","RMCFDHVUFKPQRX-UHFFFAOYSA-N",22762144,NA,"PDBC26497","166641","Present",NA,NA
+"26498","5-Fluoro deoxy uridine 10mer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro deoxy uridine 10mer",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OC3CC(OC3COP(=O)(O)OC4CC(OC4COP(=O)(O)OC5CC(OC5COP(=O)(O)OC6CC(OC6COP(=O)(O)OC7CC(OC7COP(=O)(O)OC8CC(OC8COP(=O)(O)OC9CC(OC9COP(=O)(O)OC1CC(OC1COP(=O)(O)OC1CC(OC1CO)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)N1C=C(C(=O)NC1=O)F)O","IACIPRCBXFNRDY-UHFFFAOYSA-N",16130072,NA,"PDBC26498","697912","Present",NA,NA
+"26499","5-Fluoro-1-((2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)methyl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-((2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)methyl)-2,4(1H,3H)-pyrimidinedione",NA,"CC1=CC=C(C=C1)SCC(CF)OCN2C=C(C(=O)NC2=O)F","GHBLJSWVIPTCLR-UHFFFAOYSA-N",382806,NA,"PDBC26499","670534","Present",NA,NA
+"26500","5-Fluoro-1-(2,6-trideoxy-alpha-L-glycero-hexopyran-4-ulosyl) uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-(2,3,6-trideoxy-.alpha.-L-glycero-hexopyran-4...",NA,"CC1C(=O)CCC(O1)N2C=C(C(=O)NC2=O)F","KRPHWGDCZWDBNJ-UHFFFAOYSA-N",367305,NA,"PDBC26500","636869","Present",NA,NA
+"26501","5-Fluoro-1-(2-methyl-5-oxo-2H-pyran-6-yl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-(3,4,6-trideoxy-.beta.-L-glycero-hex-3-enopyr...",NA,"CC1C=CC(=O)C(O1)N2C=C(C(=O)NC2=O)F","ZTKCWNINVBIRHH-UHFFFAOYSA-N",365890,NA,"PDBC26501","633971","Present",NA,NA
+"26502","5-Fluoro-1-(3-hydroxy-2-methyl-3,6-dihydro-2H-pyran-6-yl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-(2,3,6-trideoxy-.alpha.-L-erythro-hex- 2-enop...",NA,"CC1C(C=CC(O1)N2C=C(C(=O)NC2=O)F)O","NWZIPIYYQCCAGD-UHFFFAOYSA-N",365307,NA,"PDBC26502","632858","Present",NA,NA
+"26503","5-Fluoro-1-(5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-(2,3,6-trideoxy-.alpha.-L-erythro-hexopyranos...",NA,"CC1C(CCC(O1)N2C=C(C(=O)NC2=O)F)O","YSWYQPMQIDTWJM-UHFFFAOYSA-N",366333,NA,"PDBC26503","634681","Present",NA,NA
+"26504","5-Fluoro-1-(6-methyl-5-oxo-2H-pyran-2-yl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-(2,3,6-trideoxy-.alpha.-L-glycero-hex-2- enop...",NA,"CC1C(=O)C=CC(O1)N2C=C(C(=O)NC2=O)F","KNSHTVZIKOKLBG-UHFFFAOYSA-N",367306,NA,"PDBC26504","636870","Present",NA,NA
+"26505","5-Fluoro-1-(7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-(7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl)pyrimidine-2,4-dione",NA,"C1C2C(C(O1)C(O2)N3C=C(C(=O)NC3=O)F)O","HDJXIAVWVQQMLN-UHFFFAOYSA-N",353484,NA,"PDBC26505","601911","Present",NA,NA
+"26506","5-Fluoro-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione",NA,"C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)F","YHWGRVDTEORPPJ-UHFFFAOYSA-N",324452,NA,"PDBC26506","289901","Present",NA,NA
+"26507","5-Fluoro-1-[4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-[4-fluoro-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyrimidine-2,4-dione",NA,"C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)F)O)F","BXHWKGLMPCAUQA-UHFFFAOYSA-N",389397,NA,"PDBC26507","685465","Present",NA,NA
+"26508","5-Fluoro-1-[4-fluoro-5-oxo-2-(trityloxymethyl)-2H-pyran-6-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-(3,4-dideoxy-3-fluoro-6-O-trityl-.beta.-D-gly...",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C=C(C(=O)C(O4)N5C=C(C(=O)NC5=O)F)F","JHTZZJGCWZYBMV-UHFFFAOYSA-N",496641,NA,"PDBC26508","696250","Present",NA,NA
+"26509","5-Fluoro-1-[4-hydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-[4-hydroxy-2,5-bis(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione",NA,"C1=C(C(=O)NC(=O)N1C2C(OC(C2O)CO)CO)F","CJVOVFBFZHWDMB-UHFFFAOYSA-N",393727,NA,"PDBC26509","696245","Present",NA,NA
+"26510","5-Fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl]pyrimidine-2,4-dione",NA,"C1C(C(C(O1)CO)O)N2C=C(C(=O)NC2=O)F","MXURFEAREZZFIY-UHFFFAOYSA-N",393730,NA,"PDBC26510","696248","Present",NA,NA
+"26511","5-Fluoro-1-[5-hydroxy-6-(hydroxymethyl)-2-isopropoxy-tetrahydropyran-3-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-1-[5-hydroxy-6-(hydroxymethyl)-2-isopropoxy-tetrahydropyran-3-yl]pyrimidine-2,4-dione",NA,"CC(C)OC1C(CC(C(O1)CO)O)N2C=C(C(=O)NC2=O)F","IZNQGBYRARYNJL-UHFFFAOYSA-N",395157,NA,"PDBC26511","699457","Present",NA,NA
+"26512","5-Fluoro-14-methoxy-9-(3-morpholin-4-ylpropyl)-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-9-methoxy-6-(3-morpholinopropyl)-5H-pyrido[3',2...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCOCC5)N=C1","PAEFTRUWDBYVEW-UHFFFAOYSA-N",137638718,NA,"PDBC26512","790509","Present",NA,NA
+"26513","5-Fluoro-2'-deoxyuridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC66259",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)F)CO)O","ODKNJVUHOIMIIZ-UHFFFAOYSA-N",3363,NA,"PDBC26513","66259","Present",NA,NA
+"26514","5-Fluoro-2'-deoxyuridyl 2-(5-methoxy-N-methylindoloquinonyl)methyl N-methyl-N-(4-chlorobutyl) phosphoramidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2'-deoxyuridyl 2-(5-methoxy-N-methylindoloquino...",NA,"CN1C(=CC2=C1C(=O)C=C(C2=O)OC)COP(=O)(N(C)CCCCCl)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O","UDYFPQNFRMQCJA-UHFFFAOYSA-N",404843,NA,"PDBC26514","721387","Present",NA,NA
+"26515","5-Fluoro-2'-deoxyuridyl 5-nitrofurfuryl N-(2,3-dihydroxypropyl)-N-(4-chlorobutyl) phosphoramidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2'-deoxyuridyl 5-nitrofurfuryl N-(2,3-dihydroxy...",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(N(CCCCCl)CC(CO)O)OCC3=CC=C(O3)[N+](=O)[O-])O","FWMIRWKCPBNBDD-UHFFFAOYSA-N",24205136,NA,"PDBC26515","734430","Present",NA,NA
+"26516","5-Fluoro-2'-deoxyuridyly-(3'->5')-3'-C-ethynylcytosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5- fluoro-2'-deoxyuridyly-(3'->5')-3'-C-ethynylcytosine",NA,"C#CC1(C(OC(C1O)N2C=CC(=NC2=O)N)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)F)O","LOKQZRKLMDNPBW-UHFFFAOYSA-N",45028394,NA,"PDBC26516","742410","Present",NA,NA
+"26517","5-Fluoro-2-(3,5-dihydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-(3,5-dihydroxyphenyl)benzothiazole",NA,"C1=CC2=C(C=C1F)N=C(S2)C3=CC(=CC(=C3)O)O","MAJCBUVTEVVDIQ-UHFFFAOYSA-N",404995,NA,"PDBC26517","721649","Present",NA,NA
+"26518","5-Fluoro-2-(3-Ethoxy-4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-(3-Ethoxy-4-hydroxyphenyl)benzothiazole",NA,"CCOC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)O","LUBNNWLAHPUPEU-UHFFFAOYSA-N",404994,NA,"PDBC26518","721647","Present",NA,NA
+"26519","5-Fluoro-2-(3-hydroxy-4-methoxy)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-(3-hydroxy-4-methoxy)benzothiazole",NA,"COC1=C(C=C(C=C1)C2=NC3=C(S2)C=CC(=C3)F)O","APSKCJVLOANIFO-UHFFFAOYSA-N",404992,NA,"PDBC26519","721645","Present",NA,NA
+"26520","5-Fluoro-2-(3-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-(3-hydroxyphenyl)benzothiazole",NA,"C1=CC(=CC(=C1)O)C2=NC3=C(S2)C=CC(=C3)F","OOAGTBGPTTVHAA-UHFFFAOYSA-N",404991,NA,"PDBC26520","721644","Present",NA,NA
+"26521","5-Fluoro-2-(4-hydroxy-3-methoxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-(4-hydroxy-3-methoxyphenyl)benzothiazole",NA,"COC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)O","DWQHMGWMXJKJSQ-UHFFFAOYSA-N",404993,NA,"PDBC26521","721646","Present",NA,NA
+"26522","5-Fluoro-2-(4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-(4-hydroxyphenyl)benzothiazole",NA,"C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)F)O","FTDAZLXVIURESD-UHFFFAOYSA-N",405006,NA,"PDBC26522","721660","Present",NA,NA
+"26523","5-Fluoro-2-[4-[5-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole-3-yl]phenyl]-1H-benzoimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-(5-fluoro-1H-benzo[d]imidazol-2-yl)phenyl)-5-(3,4,5...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC(=NO2)C3=CC=C(C=C3)C4=NC5=C(N4)C=C(C=C5)F","JEPVNURTANUAKZ-UHFFFAOYSA-N",118624632,NA,"PDBC26523","761109","Present",NA,NA
+"26524","5-Fluoro-2-methyl-3-(2-oxo-3-azepanyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-methyl-3-(2-oxo-3-azepanyl)-4(3H)-quinazolinone",NA,"CC1=NC2=C(C(=CC=C2)F)C(=O)N1C3CCCCNC3=O","DTURRAGYOGBRAU-UHFFFAOYSA-N",379112,NA,"PDBC26524","663326","Present",NA,NA
+"26525","5-Fluoro-2-methyl-3-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-methyl-3-(5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl)-4(3H)-quinazolinone",NA,"CC1=NC2=C(C(=CC=C2)F)C(=O)N1C3=NN=C(S3)C(F)(F)F","IGYXDFLMNJVMBD-UHFFFAOYSA-N",379110,NA,"PDBC26525","663324","Present",NA,NA
+"26526","5-Fluoro-2-methyl-N-(3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-2-methyl-N-(3-oxo-1-thia-4-azaspiro[4.5]dec-4-y...",NA,"CC1C(=O)N(C2(S1)CCCCC2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5","ZOKMAJPRLWEFGY-UHFFFAOYSA-N",24205444,NA,"PDBC26526","735538","Present",NA,NA
+"26527","5-Fluoro-2-phenyl-4-phenylmethoxyquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Benzyloxy)-5-fluoro-2-phenylquinoline",NA,"C1=CC=C(C=C1)COC2=CC(=NC3=C2C(=CC=C3)F)C4=CC=CC=C4","TXIFTEXTIQYHAS-UHFFFAOYSA-N",380404,NA,"PDBC26527","665926","Present",NA,NA
+"26528","5-Fluoro-2-phenylsulfonylnitrobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KXQYERJUTXJUBS-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=C(C=C(C=C2)F)[N+](=O)[O-]","KXQYERJUTXJUBS-UHFFFAOYSA-N",378892,NA,"PDBC26528","662300","Present",NA,NA
+"26529","5-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one",NA,"C1=CC=NC(=C1)C2=CC(=O)C3=C(N2)C=CC=C3F","FKJLMNPHRRHQHI-UHFFFAOYSA-N",372260,NA,"PDBC26529","647316","Present",NA,NA
+"26530","5-Fluoro-3,3-bis(5-methoxy-1-methylindol-3-yl)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-5'-methoxy-3-(5-methoxy-1-methyl-1H-indol-3-yl)-1'-methyl-3,3'-bi(1'H-indol)-2-one",NA,"CN1C=C(C2=C1C=CC(=C2)OC)C3(C4=C(C=CC(=C4)F)NC3=O)C5=CN(C6=C5C=C(C=C6)OC)C","GKDBDLPGECMKCO-UHFFFAOYSA-N",155808302,NA,"PDBC26530","756894","Present",NA,NA
+"26531","5-Fluoro-3,3-bis(5-methoxy-1H-indol-3-yl)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-5'-methoxy-3-(5-methoxy-1H-indol-3-yl)-3,3'-bi(1'H-indol)-2-one",NA,"COC1=CC2=C(C=C1)NC=C2C3(C4=C(C=CC(=C4)F)NC3=O)C5=CNC6=C5C=C(C=C6)OC","CESOMIMDWKQMDQ-UHFFFAOYSA-N",46934431,NA,"PDBC26531","756892","Present",NA,NA
+"26532","5-Fluoro-4-(hexadecylamino)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-4-(hexadecylamino)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one",NA,"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)CO)O","VIIIVEYBLWFYRP-UHFFFAOYSA-N",387053,NA,"PDBC26532","680421","Present",NA,NA
+"26533","5-Fluoro-7-hydroxymethyl-12-methylbenzanthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-27827",NA,"CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)CO)F","UEJIJNSRRLYVGR-UHFFFAOYSA-N",49959,NA,"PDBC26533","623134","Present",NA,NA
+"26534","5-Fluoro-7-nitroquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoranyl-7-nitro-quinolin-8-ol",NA,"C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])F","WJOHCSADJQUMCX-UHFFFAOYSA-N",260644,NA,"PDBC26534","92207","Present",NA,NA
+"26535","5-Fluoro-8-methyl-2-phenyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-8-methyl-2-phenylquinolin-4(1H)-one",NA,"CC1=C2C(=C(C=C1)F)C(=O)C=C(N2)C3=CC=CC=C3","BKLUWPCSRWSGEB-UHFFFAOYSA-N",375910,NA,"PDBC26535","656247","Present",NA,NA
+"26536","5-Fluoro-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4.5]de c-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-N-(2-methyl-3-oxo-8-phenyl-1-thia-4-azaspiro[4....",NA,"CC1C(=O)N(C2(S1)CCC(CC2)C3=CC=CC=C3)NC(=O)C4=C(C5=C(N4)C=CC(=C5)F)C6=CC=CC=C6","NHSMMMMHDJHGKL-UHFFFAOYSA-N",24205446,NA,"PDBC26536","735540","Present",NA,NA
+"26537","5-Fluoro-N-(3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1h-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-N-(3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phen...",NA,"C1CCC2(CC1)N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5","AXDWNTDIICMCFI-UHFFFAOYSA-N",24205443,NA,"PDBC26537","735537","Present",NA,NA
+"26538","5-Fluoro-N-(8-phenyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-N-(8-phenyl-3-oxo-1-thia-4-azaspiro[4.5]dec-4-y...",NA,"C1CC2(CCC1C3=CC=CC=C3)N(C(=O)CS2)NC(=O)C4=C(C5=C(N4)C=CC(=C5)F)C6=CC=CC=C6","IEKHBVSABHOFNW-UHFFFAOYSA-N",24205445,NA,"PDBC26538","735539","Present",NA,NA
+"26539","5-Fluoro-N-[(Z)-(4-methylphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-N-[(Z)-(4-methylphenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide",NA,"CC1=CC=C(C=C1)C=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)F)C4=CC=CC=C4","GDYLQHMDBBDTLN-QFEZKATASA-N",60147752,NA,"PDBC26539","752358","Present",NA,NA
+"26540","5-Fluoro-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-1H-indole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C4=CNC5=C4C=C(C=C5)F","YGQTUTPSADVZHT-ILIMOEPOSA-N",118245700,NA,"PDBC26540","783913","Present",NA,NA
+"26541","5-Fluorocytosine arabinoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ara-fc",NA,"C1=C(C(=NC(=O)N1C2C(C(C(O2)CO)O)O)N)F","STRZQWQNZQMHQR-UHFFFAOYSA-N",352938,NA,"PDBC26541","529180","Present",NA,NA
+"26542","5-Fluoroindole-3-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACT02530",NA,"C1=CC2=C(C=C1F)C(=CN2)CC(=O)O","GWLLOJBOPVNWNF-UHFFFAOYSA-N",96750,NA,"PDBC26542","88616","Present",NA,NA
+"26543","5-Fluorotryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"f0896",NA,"C1=CC2=C(C=C1F)C(=CN2)CC(C(=O)O)N","INPQIVHQSQUEAJ-UHFFFAOYSA-N",9577,NA,"PDBC26543","9363","Present",NA,NA
+"26544","5-Fluorouracil 3-riboside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluorouracil 3-riboside",NA,"C1=C(C(=O)N(C(=O)N1)C2C(C(C(O2)CO)O)O)F","CFYQMKPQRGCEPB-UHFFFAOYSA-N",295499,NA,"PDBC26544","521264","Present",NA,NA
+"26545","5-Fluorouracil arabinoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fur",NA,"C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)F","FHIDNBAQOFJWCA-UHFFFAOYSA-N",1821,NA,"PDBC26545","146604","Present",NA,NA
+"26546","5-Fluorouridine,2',3',5'-tri-O-acetyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uridine, 5-fluoro-, 2',3',5'-triacetate",NA,"CC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C)OC(=O)C","GWZWJYSFWAOCJZ-UHFFFAOYSA-N",330408,NA,"PDBC26546","318800","Present",NA,NA
+"26547","5-Formyl-2,6-dihydroxy-4-pyrimidinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Formyl-2,6-dihydroxy-4-pyrimidinecarboxylic acid",NA,"C(=O)C1=C(NC(=O)NC1=O)C(=O)O","HHVNSJSWSPVZPB-UHFFFAOYSA-N",381082,NA,"PDBC26547","667234","Present",NA,NA
+"26548","5-Furfurylidenerhodanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC31192",NA,"C1=COC(=C1)C=C2C(=O)NC(=S)S2","ISSUVJNRFWFRIV-GQCTYLIASA-N",1269434,NA,"PDBC26548","31192","Present",NA,NA
+"26549","5-Guanidino-2-(prop-2-ynylamino)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-(prop-2-ynylamino)pentanoic acid",NA,"C#CCNC(CCCN=C(N)N)C(=O)O","DMLDMQLYKXWRIU-UHFFFAOYSA-N",393712,NA,"PDBC26549","696225","Present",NA,NA
+"26550","5-Guanidino-2-[(10-oxidoacridin-10-ium-9-yl)amino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-[(10-oxidoacridin-10-ium-9-yl)amino]pentanoic acid",NA,"C1=CC=C2C(=C1)C(=NC(CCCN=C(N)N)C(=O)O)C3=CC=CC=C3N2O","GKTDYQAIWFEIFB-UHFFFAOYSA-N",494617,NA,"PDBC26550","627898","Present",NA,NA
+"26551","5-Guanidino-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-[(10-oxidoacridin-10-ium-9-yl)methylamino]pentanoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2[O-])CNC(CCCN=C(N)N)C(=O)O","LXYUWETVIGQKDY-UHFFFAOYSA-N",494611,NA,"PDBC26551","627892","Present",NA,NA
+"26552","5-Guanidino-2-[4-(4-imino-2-oxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-[4-(4-imino-2-oxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid",NA,"C1=CN(C(=O)N=C1N)CCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","GHBFOTASJAWXOK-UHFFFAOYSA-N",391680,NA,"PDBC26552","691222","Present",NA,NA
+"26553","5-Guanidino-2-[4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-[4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)butoxycarbonylamino]pentanoic acid",NA,"CC1=CN(C(=O)NC1=O)CCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","XCJWLLFOPHNPLK-UHFFFAOYSA-N",391684,NA,"PDBC26553","691226","Present",NA,NA
+"26554","5-Guanidino-2-[5-(4-imino-2-oxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-[5-(4-imino-2-oxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid",NA,"C1=CN(C(=O)N=C1N)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","XZRVVZUYFBUDNN-UHFFFAOYSA-N",391681,NA,"PDBC26554","691223","Present",NA,NA
+"26555","5-Guanidino-2-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-[5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)pentoxycarbonylamino]pentanoic acid",NA,"CC1=CN(C(=O)NC1=O)CCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","LFNKORXZTAWKHD-UHFFFAOYSA-N",391685,NA,"PDBC26555","691227","Present",NA,NA
+"26556","5-Guanidino-2-[6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)hexoxycarbonylamino]pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Guanidino-2-[6-(5-methyl-2,4-dioxo-pyrimidin-1-yl)hexoxycarbonylamino]pentanoic acid",NA,"CC1=CN(C(=O)NC1=O)CCCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","DIODSEMKCJRCAK-UHFFFAOYSA-N",391686,NA,"PDBC26556","691228","Present",NA,NA
+"26557","5-Heptadecyl-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AOD100661",NA,"CCCCCCCCCCCCCCCCCC1=NN=C(O1)N","BYSGGXHBCBERTD-UHFFFAOYSA-N",360699,NA,"PDBC26557","623035","Present",NA,NA
+"26558","5-Heptenamide, N,N'-1,2-ethanediylbis[6-methyl-2,4-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-N-[2-[(6-methyl-2,4-dioxohept-5-enoyl)amino]ethyl]-2,4-dioxohept-5-enamide",NA,"CC(=CC(=O)CC(=O)C(=O)NCCNC(=O)C(=O)CC(=O)C=C(C)C)C","HFTIYKYKYMRZLU-UHFFFAOYSA-N",366725,NA,"PDBC26558","635442","Present",NA,NA
+"26559","5-Hexenyl 2,3-dideoxyhex-2-enopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hexenyl 2,3-dideoxyhex-2-enopyranoside",NA,"C=CCCCCOC1C=CC(C(O1)CO)O","XXCCPRNUMYAJDL-UHFFFAOYSA-N",388311,NA,"PDBC26559","683043","Present",NA,NA
+"26560","5-Hexyl-2'-deoxyuridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hexyl-2'-deoxyuridine",NA,"CCCCCCC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O","DZGIFYLUHQAETO-UHFFFAOYSA-N",357416,NA,"PDBC26560","616231","Present",NA,NA
+"26561","5-Hexyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hexyl-9-hydroxy-5H-indeno[1,2-b]indol-10-one",NA,"CCCCCCN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O","HENQAHKOXXUQDO-UHFFFAOYSA-N",24204801,NA,"PDBC26561","732981","Present",NA,NA
+"26562","5-Hydrazinyl-2-sulfanylidene-1,3-dihydroimidazole-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684037",NA,"C1(=C(NC(=S)N1)NN)C(=O)N.Cl","ZQJYEEVBSRZLOZ-UHFFFAOYSA-N",5469185,NA,"PDBC26562","684037","Present",NA,NA
+"26563","5-Hydro-8-oxo-2,4,10-tetramethoxy-6H-dibenzo(a,g)quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydro-8-oxo-2,3,4,10-tetramethoxy-6H-dibenzo(a,g)quino...",NA,"COC1=CC2=C(C=C1)C=C3C4=CC(=C(C(=C4CCN3C2=O)OC)OC)OC","ZMDCGCGRBISEGW-UHFFFAOYSA-N",370818,NA,"PDBC26563","644469","Present",NA,NA
+"26564","5-Hydroxy 3',4',7-trimethoxyspiro[chroman-3,7'-bicyclo[4.2.0]octa-[1(6),2,4]triene]-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-3',4', 7-trimethoxyspiro{2H-1-benzopyran, 7'-b...",NA,"COC1=CC(=C2C(=C1)OCC3(C2=O)CC4=CC(=C(C=C34)OC)OC)O","GTARHKGCDCSIQV-UHFFFAOYSA-N",404856,NA,"PDBC26564","721400","Present",NA,NA
+"26565","5-Hydroxy-1,5,5-triphenyl-1,3-pentanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-1,5,5-triphenyl-1,3-pentanedione",NA,"C1=CC=C(C=C1)C(=O)CC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O","SCGGIZZMOSXSIW-UHFFFAOYSA-N",366057,NA,"PDBC26565","634232","Present",NA,NA
+"26566","5-Hydroxy-1-[(E)-3-trimethylsilylallyl]pyrrolidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-1-[(E)-3-trimethylsilylallyl]pyrrolidin-2-one",NA,"C[Si](C)(C)C=CCN1C(CCC1=O)O","ULGDTJRCGZRSRZ-XBXARRHUSA-N",5386720,NA,"PDBC26566","617354","Present",NA,NA
+"26567","5-Hydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7-triene-14,1'-cyclopropane]-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-1-methylspiro[15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-4(9),5,7-triene-14,1'-cyclopropane]-3,10,13-trione",NA,"CC12C3C(C(O1)C(=O)C24CC4)C(=O)C5=C(C3=O)C(=CC=C5)O","SDPCZBCMOVOFSV-UHFFFAOYSA-N",406707,NA,"PDBC26567","724972","Present",NA,NA
+"26568","5-Hydroxy-10,12-dihydrobenzo[b][5,1]benzothiaphosphocine 5,11,11-trioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-10,12-dihydrobenzo[b][5,1]benzothiaphosphocine 5,11,11-trioxide",NA,"C1C2=CC=CC=C2P(=O)(C3=CC=CC=C3CS1(=O)=O)O","HVKDIWZSRHINDC-UHFFFAOYSA-N",279209,NA,"PDBC26568","129505","Present",NA,NA
+"26569","5-Hydroxy-10,12-dihydrobenzo[b][5,1]benzothiaphosphocine 5-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-10,12-dihydrobenzo[b][5,1]benzothiaphosphocine 5-oxide",NA,"C1C2=CC=CC=C2P(=O)(C3=CC=CC=C3CS1)O","HKHKQFVKKHWQJR-UHFFFAOYSA-N",279204,NA,"PDBC26569","129500","Present",NA,NA
+"26570","5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;2-hydroxypropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one;2-hydroxypropanoic acid",NA,"CC(C(=O)O)O.C1=CC2=C(C=C1O)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO","PWDKAXQANQVDOX-UHFFFAOYSA-N",438554,NA,"PDBC26570","645815","Present",NA,NA
+"26571","5-Hydroxy-10-methoxy-1-methylbenzo[g]quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-10-methoxy-1-methylbenzo[g]quinolin-4(1h)-one",NA,"CN1C=CC(=O)C2=C(C3=CC=CC=C3C(=C21)OC)O","DKDZRORVIAQRPB-UHFFFAOYSA-N",406554,NA,"PDBC26571","724702","Present",NA,NA
+"26572","5-Hydroxy-2,2-dimethyl-6-methylidene-8-(2-methylpropyl)spiro[3,4,4a,5-tetrahydronaphthalene-7,1'-cyclopropane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2,2-dimethyl-6-methylidene-8-(2-methylpropyl)spiro[3,4,4a,5-tetrahydronaphthalene-7,1'-cyclopropane]-1-one",NA,"CC(C)CC1=C2C(CCC(C2=O)(C)C)C(C(=C)C13CC3)O","JIRMCCJRAGXONU-UHFFFAOYSA-N",406839,NA,"PDBC26572","725130","Present",NA,NA
+"26573","5-Hydroxy-2,3-dimethyl-10-phenyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2,3-dimethyl-10-phenyl-2,3-dihydropyrano[2,3-h]chromene-4,8-dione",NA,"CC1C(OC2=C(C1=O)C(=CC3=C2C(=CC(=O)O3)C4=CC=CC=C4)O)C","DLUPGSAQAPMEDY-UHFFFAOYSA-N",5387492,NA,"PDBC26573","624210","Present",NA,NA
+"26574","5-Hydroxy-2,3-dimethyl-4,7,8,9-tetrahydropyrazino[2,3-a]carbazol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dimethyl-4,7,8,9-tetrahydro-1H-pyrazino[2,3-a]carbazole-5,10-dione",NA,"CC1=C(N=C2C(=C(C=C3C2=NC4=C3CCCC4=O)O)N1)C","FWBQDPQDHPFZNK-UHFFFAOYSA-N",135426814,NA,"PDBC26574","720173","Present",NA,NA
+"26575","5-Hydroxy-2,4-dioxo-N-(3-(trifluoromethyl)phenyl)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2,4-dioxo-N-(3-(trifluoromethyl)phenyl)pentanamide",NA,"C1=CC(=CC(=C1)NC(=O)C(=O)CC(=O)CO)C(F)(F)F","QXMIOFBVJFXNDN-UHFFFAOYSA-N",360653,NA,"PDBC26575","622971","Present",NA,NA
+"26576","5-Hydroxy-2,4-dioxo-N-phenylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2,4-dioxo-N-phenylpentanamide",NA,"C1=CC=C(C=C1)NC(=O)C(=O)CC(=O)CO","LAIKSRVKUVVUAC-UHFFFAOYSA-N",364928,NA,"PDBC26576","631814","Present",NA,NA
+"26577","5-Hydroxy-2,4-dioxo-pentanoic acid (4-nitro-thiazol-2-yl)-amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-N-(4-nitrothiazol-2-yl)-2,4-dioxo-pentanamide",NA,"C1=C(N=C(S1)NC(=O)C(=O)CC(=O)CO)[N+](=O)[O-]","QUFCILCFDKWQFA-UHFFFAOYSA-N",364966,NA,"PDBC26577","631852","Present",NA,NA
+"26578","5-Hydroxy-2,6-dimethyl-2H-isoindole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2,6-dimethyl-2H-isoindole-4,7-dione",NA,"CC1=C(C2=CN(C=C2C(=O)C1=O)C)O","PIDMOAQKRCCRJE-UHFFFAOYSA-N",360232,NA,"PDBC26578","622252","Present",NA,NA
+"26579","5-Hydroxy-2-(1-hydroxy-11-phenylundecylidene)cyclohexane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexen-3,5-diol-1-one, 2-[11-phenylundecanoyl]-",NA,"C1C(CC(=O)C(=C(CCCCCCCCCCC2=CC=CC=C2)O)C1=O)O","YMWGUURVILDETI-UHFFFAOYSA-N",365015,NA,"PDBC26579","631950","Present",NA,NA
+"26580","5-Hydroxy-2-(2-hydroxy-4-methoxyphenyl)-6,7,8-trimethoxy-2,3-dihydrochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2-(2-hydroxy-4-methoxy-phenyl)-6,7,8-trimethox...",NA,"COC1=CC(=C(C=C1)C2CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O","HBMSDJPRMIJWFE-UHFFFAOYSA-N",121225977,NA,"PDBC26580","785305","Present",NA,NA
+"26581","5-Hydroxy-2-(2-methylphenyl)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2-(2-methylphenyl)pentanoic acid",NA,"CC1=CC=CC=C1C(CCCO)C(=O)O","GJGHEAKSFHVJCX-UHFFFAOYSA-N",359302,NA,"PDBC26581","620052","Present",NA,NA
+"26582","5-Hydroxy-2-(hydroxymethyl)-1-[2-(1H-indol-3-yl)ethyl]pyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2-(hydroxymethyl)-1-[2-(1h-indol-3-yl)ethyl]pyridin-4(1h)-one",NA,"C1=CC=C2C(=C1)C(=CN2)CCN3C=C(C(=O)C=C3CO)O","YCTYJMHFXWZXRL-UHFFFAOYSA-N",404677,NA,"PDBC26582","721116","Present",NA,NA
+"26583","5-Hydroxy-2-methoxy-3-methylbenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2-methoxy-3-methylbenzaldehyde",NA,"CC1=CC(=CC(=C1OC)C=O)O","NACFKEASXBZDEH-UHFFFAOYSA-N",358361,NA,"PDBC26583","618327","Present",NA,NA
+"26584","5-Hydroxy-2-methoxybenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK108464",NA,"COC1=C(C=C(C=C1)O)C=O","HWNIBJPEJAWOTR-UHFFFAOYSA-N",358341,NA,"PDBC26584","618306","Present",NA,NA
+"26585","5-Hydroxy-2-methyl-6-(piperidin-1-ylmethyl)pyrimidin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2-methyl-6-(piperidin-1-ylmethyl)pyrimidin-4(1h)-one",NA,"CC1=NC(=C(C(=O)N1)O)CN2CCCCC2","NLUOFASCVSIDDR-UHFFFAOYSA-N",135451587,NA,"PDBC26585","101652","Present",NA,NA
+"26586","5-Hydroxy-2-methyl-9-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2-methyl-9-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one",NA,"CC1=CC(=O)C2=C(O1)C3=C(C=C2O)OCC(=CC3)COC4C(C(C(C(O4)COC5C(C(C(C(O5)CO)O)O)O)O)O)O","HJOAQEYWNOPRHE-UHFFFAOYSA-N",373656,NA,"PDBC26586","650386","Present",NA,NA
+"26587","5-Hydroxy-2-nonyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2-nonyl-4H-chromen-4-one",NA,"CCCCCCCCCC1=CC(=O)C2=C(C=CC=C2O1)O","SNEHYEVNOARYTM-UHFFFAOYSA-N",365028,NA,"PDBC26587","631963","Present",NA,NA
+"26588","5-Hydroxy-2-oxo-4,5-diphenyl-1H-pyrrole-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK004597",NA,"C1=CC=C(C=C1)C2=C(C(=O)NC2(C3=CC=CC=C3)O)C#N","DNNPZVTYQAHMTJ-UHFFFAOYSA-N",360076,NA,"PDBC26588","621874","Present",NA,NA
+"26589","5-Hydroxy-2-undecyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2-undecyl-4H-chromen-4-one",NA,"CCCCCCCCCCCC1=CC(=O)C2=C(C=CC=C2O1)O","CQTVVLLURKBIKT-UHFFFAOYSA-N",365029,NA,"PDBC26589","631964","Present",NA,NA
+"26590","5-Hydroxy-20,20-dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4(9),5,7-triene-3,10,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-20,20-dimethyl-19-oxahexacyclo[10.6.1.114,17.01,14.02,11.04,9]icosa-4(9),5,7-triene-3,10,13-trione",NA,"CC1(C2CCC13C(=O)C4C5C(C3(C2)O4)C(=O)C6=C(C5=O)C=CC=C6O)C","STDLXXUSBWDFHH-UHFFFAOYSA-N",406716,NA,"PDBC26590","724981","Present",NA,NA
+"26591","5-Hydroxy-3,5-dimethyl-isoxazol-4-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-3,5-dimethyl-isoxazol-4-one oxime",NA,"CC1=NOC(C1=NO)(C)O","QIBIZPIECFGQTL-GQCTYLIASA-N",135493978,NA,"PDBC26591","686466","Present",NA,NA
+"26592","5-Hydroxy-3,6,7,8,3',4'-hexamethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"07JTS22V9J",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)OC","JDVPHCLYMGBZLE-UHFFFAOYSA-N",136417,NA,"PDBC26592","618935","Present",NA,NA
+"26593","5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=CC(=C3O2)OC)OC)O)OC","NRKZWKQNNBDASC-UHFFFAOYSA-N",355799,NA,"PDBC26593","610173","Present",NA,NA
+"26594","5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-3,7,8-trimethoxy-3',4'-methylenedioxyflavone",NA,"COC1=C(C2=C(C(=C1)O)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC","RIBQNZSBOGKTHR-UHFFFAOYSA-N",5379400,NA,"PDBC26594","678104","Present",NA,NA
+"26595","5-Hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(2-phenylsulfanylethyl)-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-3-(2,3,4,5,6-pentafluorophenyl)-1-(2-phenylsulfanylethyl)-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one",NA,"CC(C)C1(C(=O)N(C(=S)N1CCSC2=CC=CC=C2)C3=C(C(=C(C(=C3F)F)F)F)F)O","ZYUBCAJDNQZGSJ-UHFFFAOYSA-N",386074,NA,"PDBC26595","677647","Present",NA,NA
+"26596","5-Hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-3-(4-hydroxy-3-methoxy-5-methylphenyl)-6,8-dimethoxy-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one",NA,"CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3OC)OC=C(C4=O)C5=CC(=C(C(=C5)C)O)OC)O)OC)O)O)O)O)O)O","OUVQAXPDYPPQCR-UHFFFAOYSA-N",5470694,NA,"PDBC26596","704587","Present",NA,NA
+"26597","5-Hydroxy-3-(7-methoxy-2-oxo-2H-chromen-3-yl)pyrano[3,2-c]chromen-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-3-(7-methoxy-2-oxo-2H-chromen-3-yl)pyrano[3,2-...",NA,"COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC4=C(C5=CC=CC=C5OC4O)OC3=O","WWMQSQPDVDHQTL-UHFFFAOYSA-N",45028496,NA,"PDBC26597","742947","Present",NA,NA
+"26598","5-Hydroxy-3-methylfuro[2,3-f]quinoline-2-carbaldehyde dimethylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(Dimethylhydrazono)methyl]-3-methyl-furo[2,3-f]quinolin-5-ol",NA,"CC1=C(OC2=C3C=CC=NC3=C(C=C12)O)C=NN(C)C","ITTJUXBHZNDGTR-CAOOACKPSA-N",5326297,NA,"PDBC26598","651003","Present",NA,NA
+"26599","5-Hydroxy-3-phenylpyrano[3,2-c]chromen-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-3-phenylpyrano[3,2-c]chromen-2(5H)-one",NA,"C1=CC=C(C=C1)C2=CC3=C(C4=CC=CC=C4OC3O)OC2=O","DPRQIAWOUAPLMK-UHFFFAOYSA-N",24205741,NA,"PDBC26599","736555","Present",NA,NA
+"26600","5-Hydroxy-4-nonyl-2-chromanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-4-nonyl-2-chromanone",NA,"CCCCCCCCCC1CC(=O)OC2=CC=CC(=C12)O","FQLNIFWNMBTYBI-UHFFFAOYSA-N",365020,NA,"PDBC26600","631955","Present",NA,NA
+"26601","5-Hydroxy-5H-isoindolo[2,3-b]isoquinolin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-5H-isoindolo[2,3-b]isoquinolin-7-one",NA,"C1=CC=C2C(N3C(=CC2=C1)C4=CC=CC=C4C3=O)O","SNSPLORRRRLTSN-UHFFFAOYSA-N",353867,NA,"PDBC26601","603330","Present",NA,NA
+"26602","5-Hydroxy-6,7-dimethoxy-3-(4-hydroxybenzyl)chroman-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-6, 7-dimethoxy-3-(4'-hydroxybenzyl)-4-chromanone",NA,"COC1=C(C(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O)OC","ALJBUGCEHCIDIM-UHFFFAOYSA-N",404854,NA,"PDBC26602","721398","Present",NA,NA
+"26603","5-Hydroxy-6-methoxy-8-nitroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QAICTYKDANKDKI-UHFFFAOYSA-N",NA,"COC1=C(C2=C(C(=C1)[N+](=O)[O-])N=CC=C2)O","QAICTYKDANKDKI-UHFFFAOYSA-N",135399288,NA,"PDBC26603","2785","Present",NA,NA
+"26604","5-Hydroxy-7-[3-(4-methylhexahydro-1-pyrazinyl)propyloxy]-2-p henyl-4H-4-chromenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-7-[3-(4-methylhexahydro-1-pyrazinyl)propyloxy]...",NA,"CN1CCN(CC1)CCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O","ZLXGCJYBWWEVOC-UHFFFAOYSA-N",24205897,NA,"PDBC26604","737145","Present",NA,NA
+"26605","5-Hydroxy-7-[3-methoxy-4-(tetrahydro-pyran-2-yloxy)-phenyl]-4-{3-[3-methoxy-4-(tetrahydro-pyran-2-yloxy)-phenyl]-acryloy l}-hepta-2,6-trienoic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-7-[3-methoxy-4-(tetrahydro-pyran-2-yloxy)-phen...",NA,"CCOC(=O)C=CC(=C(C=CC1=CC(=C(C=C1)OC2CCCCO2)OC)O)C(=O)C=CC3=CC(=C(C=C3)OC4CCCCO4)OC","NQTQSGCUXWJADB-XQZKAEAZSA-N",54699000,NA,"PDBC26605","735204","Present",NA,NA
+"26606","5-Hydroxy-7-[5-(1,4-oxazinan-4-yl)pentyloxy]-2-phenyl-4H-4-c hromenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-7-[5-(1,4-oxazinan-4-yl)pentyloxy]-2-phenyl-4H...",NA,"C1COCCN1CCCCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O","QCCUOGVSLZZRLA-UHFFFAOYSA-N",24205486,NA,"PDBC26606","736039","Present",NA,NA
+"26607","5-Hydroxy-7-[5-(4-methylhexahydro-1-pyrazinyl)pentyloxy]-2-p henyl-4H-4-chromenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-7-[5-(4-methylhexahydro-1-pyrazinyl)pentyloxy]...",NA,"CN1CCN(CC1)CCCCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O","DNEYFGXKNRBITD-UHFFFAOYSA-N",24205487,NA,"PDBC26607","736040","Present",NA,NA
+"26608","5-Hydroxy-7-methoxy-3-(4-hydroxybenzyl)chroman-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-7-methoxy-3-(4'-hydroxybenzyl)-4-chromanone",NA,"COC1=CC(=C2C(=C1)OCC(C2=O)CC3=CC=C(C=C3)O)O","FULPZMATFBTFNA-UHFFFAOYSA-N",404855,NA,"PDBC26608","721399","Present",NA,NA
+"26609","5-Hydroxy-7-methoxy-6,8-di-C-methylflavanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-7-methoxy-6,8-dimethylfavanon",NA,"CC1=C(C2=C(C(=C1OC)C)OC(CC2=O)C3=CC=CC=C3)O","KZNAGLGLKRUIPD-UHFFFAOYSA-N",369596,NA,"PDBC26609","641477","Present",NA,NA
+"26610","5-Hydroxy-7-methoxy-6-methylflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-7-methoxy-6-methylflavon",NA,"CC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC=CC=C3)OC","QXJMWAGIFVRLTO-UHFFFAOYSA-N",369599,NA,"PDBC26610","641480","Present",NA,NA
+"26611","5-Hydroxy-7-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1-pyrazinyl]pentyloxy}-2-phenyl-4H-4-chromenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-7-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1-pyra...",NA,"C1CN(CCN1CCCCCOC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)C5=CC(=O)OC6=CC=CC=C65","YUZMKVMPQAYLPH-UHFFFAOYSA-N",24205466,NA,"PDBC26611","735824","Present",NA,NA
+"26612","5-Hydroxy-9-methyl-3-(2-oxo-2H-chromen-3-yl)pyrano[3,2-c]chr omen-2(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-9-methyl-3-(2-oxo-2H-chromen-3-yl)pyrano[3,2-c...",NA,"CC1=CC2=C(C=C1)OC(C3=C2OC(=O)C(=C3)C4=CC5=CC=CC=C5OC4=O)O","CDBITYKFNJVXLH-UHFFFAOYSA-N",24205003,NA,"PDBC26612","733927","Present",NA,NA
+"26613","5-Hydroxyindole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H-6300",NA,"C1=CC2=C(C=C1O)C=C(N2)C(=O)O","BIMHWDJKNOMNLD-UHFFFAOYSA-N",88958,NA,"PDBC26613","117338","Present",NA,NA
+"26614","5-Hydroxymethyl-2,2,5-trimethyl-1,3-dioxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM3663465",NA,"CC1(OCC(CO1)(C)CO)C","MBENEXSAQJBPKP-UHFFFAOYSA-N",373709,NA,"PDBC26614","650610","Present",NA,NA
+"26615","5-Hydroxymethyl-2,3-bis-(4-methanesulfonylphenyl)tetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxymethyl-2,3-bis-(4-methanesulfonylphenyl)tetrahy...",NA,"CS(=O)(=O)C1=CC=C(C=C1)C2C(CC(O2)CO)(C3=CC=C(C=C3)S(=O)(=O)C)O","JCFNNKJKTGOFNG-LZQZEXGQSA-N",44424016,NA,"PDBC26615","743323","Present",NA,NA
+"26616","5-Hydroxymethyl-2,3-bis-(4-methoxyphenyl)tetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxymethyl-2,3-bis-(4-methoxyphenyl)tetrahydrofuran...",NA,"COC1=CC=C(C=C1)C2C(CC(O2)CO)(C3=CC=C(C=C3)OC)O","WZFCMGRPDNADRU-QRVBRYPASA-N",42609839,NA,"PDBC26616","743322","Present",NA,NA
+"26617","5-Hydroxymethylcytosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(1H)-Pyrimidinone, 4-amino-5-(hydroxymethyl)- (9CI)",NA,"C1=NC(=O)NC(=C1CO)N","RYVNIFSIEDRLSJ-UHFFFAOYSA-N",70751,NA,"PDBC26617","27368","Present",NA,NA
+"26618","5-Hydroxymethyluracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thymine, .alpha.-hydroxy-",NA,"C1=C(C(=O)NC(=O)N1)CO","JDBGXEHEIRGOBU-UHFFFAOYSA-N",78168,NA,"PDBC26618","20901","Present",NA,NA
+"26619","5-Hydroxypicolinaldehyde thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-HP",NA,"C1=CC(=NC=C1O)C=NNC(=S)N","LJHGXGDHNOZLFT-XCVCLJGOSA-N",135453292,NA,"PDBC26619","107392","Present",NA,NA
+"26620","5-Imino-1,3,6-triphenyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Imino-1,3,6-triphenyl-7-(2-pyrrolidin-1-ylethylsulfanyl)pyrimido[6,5-d]pyrimidine-2,4-dithione",NA,"C1CCN(C1)CCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6","SJVYWFQLQAFMML-UHFFFAOYSA-N",396735,NA,"PDBC26620","703445","Present",NA,NA
+"26621","5-Imino-1,3,6-triphenyl-7-(3-piperidin-1-ylpropylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Imino-1,3,6-triphenyl-7-[3-(1-piperidyl)propylsulfanyl]pyrimido[6,5-d]pyrimidine-2,4-dithione",NA,"C1CCN(CC1)CCCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6","XXRDVUOSJIQWET-UHFFFAOYSA-N",396739,NA,"PDBC26621","703449","Present",NA,NA
+"26622","5-Imino-2,4-dimethyl-3,5,6,10b-tetrahydrobenzo[c][2,7]naphthyridine-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Imino-2,4-dimethyl-3,5,6,10b-tetrahydrobenzo[c][2,7]naphthyridine-1-carbonitrile",NA,"CC1=C(C2C3=CC=CC=C3N=C(C2=C(N1)C)N)C#N","WDPDPVNIDDCTTK-UHFFFAOYSA-N",381178,NA,"PDBC26622","667508","Present",NA,NA
+"26623","5-Imino-3-methylsulfanyl-2-phenyl-1H-pyrazole-4-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Imino-3-methylsulfanyl-2-phenyl-1H-pyrazole-4-carbothioamide",NA,"CSC1=C(C(=NN1C2=CC=CC=C2)N)C(=S)N","LEIQTXQVSPNPBY-UHFFFAOYSA-N",3005336,NA,"PDBC26623","692010","Present",NA,NA
+"26624","5-Imino-7-(2-morpholin-4-ylethylsulfanyl)-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Imino-7-(2-morpholinoethylsulfanyl)-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione",NA,"C1COCCN1CCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6","BVUCOELPSGTXME-UHFFFAOYSA-N",396736,NA,"PDBC26624","703446","Present",NA,NA
+"26625","5-Iodo-1-(6-methyl-5-oxo-2H-pyran-2-yl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Iodo-1-(2,3,6-trideoxy-.alpha.-L-hex-2-enopyranos-4-ul...",NA,"CC1C(=O)C=CC(O1)N2C=C(C(=O)NC2=O)I","CIWUNINXAJMBOY-UHFFFAOYSA-N",368119,NA,"PDBC26625","638461","Present",NA,NA
+"26626","5-Iodo-1-methyl-3'-methylidenespiro[indole-3,5'-oxolane]-2,2'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro(furan-2(5H),3'-(3H)indole)-2'(1'H),5-dione, 3,4-di...",NA,"CN1C2=C(C=C(C=C2)I)C3(C1=O)CC(=C)C(=O)O3","VLWABQVGEIURBF-UHFFFAOYSA-N",307241,NA,"PDBC26626","205098","Present",NA,NA
+"26627","5-Iodo-2-(2-phenoxyacetylamino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-iodo-2-(2-phenoxyacetamido)benzamide",NA,"C1=CC=C(C=C1)OCC(=O)NC2=C(C=C(C=C2)I)C(=O)N","SSMKHHLWFKIXNJ-UHFFFAOYSA-N",122188000,NA,"PDBC26627","773278","Present",NA,NA
+"26628","5-Iodo-2-pyrimidinone-2'-deoxyribose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IPdR",NA,"C1C(C(OC1N2C=C(C=NC2=O)I)CO)O","XIJXHOVKJAXCGJ-UHFFFAOYSA-N",14326905,NA,"PDBC26628","726188","Present",NA,NA
+"26629","5-Iodo-2-{[(2)-3-(2-chlorophenyl)prop-2-enoyl]amino}benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-iodo-2-{[(2)-3-(2-chlorophenyl)prop-2-enoyl]amino}benz...",NA,"C1=CC=C(C(=C1)C=CC(=O)NC2=C(C=C(C=C2)I)C(=O)N)Cl","LDTVDHNQFCJUJM-VMPITWQZSA-N",53329762,NA,"PDBC26629","748148","Present",NA,NA
+"26630","5-Iodo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-iodo-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide",NA,"C1=CC=C(C=C1)C=CC(=O)NC2=C(C=C(C=C2)I)C(=O)N","XTLFIHQBWVSBQT-RMKNXTFCSA-N",45029271,NA,"PDBC26630","745962","Present",NA,NA
+"26631","5-Iodo-8-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-5-iodoquinoline",NA,"C1=CC2=C(C=CC(=C2N=C1)O)I","SUQZNPQQZDQDPJ-UHFFFAOYSA-N",96111,NA,"PDBC26631","53183","Present",NA,NA
+"26632","5-Iodo-Indirubin-3'-monoxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"K00192",NA,"C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)I)O)N=O","WCCYEJYTLNWYCC-UHFFFAOYSA-N",403176,NA,"PDBC26632","717830","Present",NA,NA
+"26633","5-Iodopyrimidin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Iodopyrimidinone",NA,"C1=C(C=NC(=O)N1)I","PVHCYDBPRLPQMP-UHFFFAOYSA-N",11959096,NA,"PDBC26633","754229","Present",NA,NA
+"26634","5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Isobutyl-2,2-dimethyl-1,3-dioxane-4,6-dione",NA,"CC(C)CC1C(=O)OC(OC1=O)(C)C","BICARUVXPMQQSV-UHFFFAOYSA-N",382346,NA,"PDBC26634","669815","Present",NA,NA
+"26635","5-Isobutyl-2,2-dimethyl-3,10-dihydro-1h-phenothiazin-5-ium-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Isobutyl-2,2-dimethyl-1,3-dihydrophenothiazin-5-ium-4-olate",NA,"CC(C)C[S+]1C2=CC=CC=C2N=C3C1=C(CC(C3)(C)C)[O-]","JXCUKBUDWUTEPE-UHFFFAOYSA-N",390752,NA,"PDBC26635","688509","Present",NA,NA
+"26636","5-Isobutyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Isobutyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CC(C)CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5","UIXOARAAEKCNHD-UHFFFAOYSA-N",362433,NA,"PDBC26636","626382","Present",NA,NA
+"26637","5-Isopentyl-1H-pyrazolo[4,3-c]quinoline-3,4(2H,5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Isopentyl-1H-pyrazolo[4,3-c]quinoline-3,4(2H,5H)-dione",NA,"CC(C)CCN1C2=CC=CC=C2C3=C(C1=O)C(=O)NN3","TWSDHTNMSNCEIY-UHFFFAOYSA-N",384974,NA,"PDBC26637","675804","Present",NA,NA
+"26638","5-Isopentyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Isopentyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CC(C)CCC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5","HYJNQPCLXJNAOY-UHFFFAOYSA-N",362432,NA,"PDBC26638","626381","Present",NA,NA
+"26639","5-Isopropyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Isopropyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CC(C)C1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5","FYPLYVPUIGBRQE-UHFFFAOYSA-N",362917,NA,"PDBC26639","627392","Present",NA,NA
+"26640","5-Isopropyl-3-methyl-8-[(E)-propyliminomethyl]-2-[1,6,7-trihydroxy-5-isopropyl-3-methyl-8-[(E)-propyliminomethyl]-2-naphthyl]naphthalene-1,6,7-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-5-propan-2-yl-8-(propyliminomethyl)-2-[1,6,7-trihydroxy-3-methyl-5-propan-2-yl-8-(propyliminomethyl)naphthalen-2-yl]naphthalene-1,6,7-triol",NA,"CCCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCC)O)O)C(C)C)O)O)C(C)C)O)O","KDUQILNNGDURPN-UHFFFAOYSA-N",374352,NA,"PDBC26640","651923","Present",NA,NA
+"26641","5-Isopropyl-8-methyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[2-(Benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]acetic acid",NA,"CC(C)C(C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)OCC1=CC=CC=C1","KQRARTKRXBMYFN-UHFFFAOYSA-N",381441,NA,"PDBC26641","668029","Present",NA,NA
+"26642","5-Ketobornyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-(+)-5-Oxobornyl acetate///(1S)-(+)-5-Oxobornyl acetate",NA,"CC(=O)OC1CC2C(=O)CC1(C2(C)C)C","LJJDMLPORNJBCT-UHFFFAOYSA-N",281960,NA,"PDBC26642","657828///657831","Present",NA,NA
+"26643","5-Me-XAA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Me-XAA",NA,"CC1=C2C(=CC=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O.[Na+]","IKFDUFXWODGLOC-UHFFFAOYSA-N",54608571,NA,"PDBC26643","677591","Present",NA,NA
+"26644","5-Mercapto-2-phenyl-4-quinolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5SH-2Ph-Quinol4one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC=C3S","XDXDOSAYNRPOIS-UHFFFAOYSA-N",377400,NA,"PDBC26644","658843","Present",NA,NA
+"26645","5-Methoxy,3-prenyl 7-O-rhamnopyranosido flavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-methoxy, 4'-hydroxy,3-prenyl 7-O-rhamnopyranosido flavone",NA,"CC1C(C(C(C(O1)OC2=CC3=C(C(=C2)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)CC=C(C)C)O)O)O","UAQRDUFPTMEXHQ-UHFFFAOYSA-N",24205532,NA,"PDBC26645","736112","Present",NA,NA
+"26646","5-Methoxy-1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2(7),3,5,10,12,14,16-heptaen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-methoxy 4-azaisoindole[2,1-a]quinoxalin-6(5H)-one",NA,"COC1=CC2=C(C=C1)N3C=C4C(=C3C(=O)N2)C=CC=N4","FVIYLCXRDUAREO-UHFFFAOYSA-N",155814451,NA,"PDBC26646","754595","Present",NA,NA
+"26647","5-Methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-1-methyl-2-phenyl-4H-pyrazolo[1,5-a]indol-1-ium;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=C(C2)C(=CC=C3)OC)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]","SFADEOOUBNVQFK-UHFFFAOYSA-M",402080,NA,"PDBC26647","715778","Present",NA,NA
+"26648","5-Methoxy-16-methyl-18-thia-13-azatetracyclo[9.7.0.02,7.012,16]octadeca-2(7),3,5,12-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-16-methyl-18-thia-13-azatetracyclo[9.7.0.02,7.012,16]octadeca-2(7),3,5,12-tetraene",NA,"CC12CCN=C1C3CCCC4=C(C3SC2)C=CC(=C4)OC","WJMWCONWAQRXOI-UHFFFAOYSA-N",358204,NA,"PDBC26648","618095","Present",NA,NA
+"26649","5-Methoxy-16-methyl-8-oxa-18-thia-13-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),3,5,12-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-16-methyl-8-oxa-18-thia-13-azatetracyclo[9.7.0.02,7.012,16]octadeca-1(11),2(7),3,5,12-pentaene",NA,"CC12CCN=C1C3=C(C4=C(C=C(C=C4)OC)OCC3)SC2","VPNHVAAVZWIFMM-UHFFFAOYSA-N",358203,NA,"PDBC26649","618094","Present",NA,NA
+"26650","5-Methoxy-2,1,3-benzoselenadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxypiazselenole",NA,"COC1=CC2=N[Se]N=C2C=C1","AIUMCRZJPYFOQK-UHFFFAOYSA-N",357317,NA,"PDBC26650","615551","Present",NA,NA
+"26651","5-Methoxy-2,2-dimethyl-7-[4-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-Methyl-4'-O-(3-methyl-2-butenyl)alpinumisoflavone",NA,"CC(=CCC1=CC=C(C=C1)C2=COC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)OC)C","MBKOHMUWTSBESL-UHFFFAOYSA-N",388673,NA,"PDBC26651","683691","Present",NA,NA
+"26652","5-Methoxy-2-(1-naphthylmethylene)-1-indanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-2-(1-naphthylmethylene)-1-indanone",NA,"COC1=CC2=C(C=C1)C(=O)C(=CC3=CC=CC4=CC=CC=C43)C2","VGOXKPBJKXWXJS-GZTJUZNOSA-N",5468151,NA,"PDBC26652","665378","Present",NA,NA
+"26653","5-Methoxy-2-[(2-phenoxyacetyl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-methoxy-2-(2-phenoxyacetamido)benzamide",NA,"COC1=CC(=C(C=C1)NC(=O)COC2=CC=CC=C2)C(=O)N","DQDXSRPKBHLGJS-UHFFFAOYSA-N",122188008,NA,"PDBC26653","773279","Present",NA,NA
+"26654","5-Methoxy-2-[(alphaZ)-5-nitrofurfurylidene]benzofuran-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-Methoxy-2-(5-nitrofuran-2-ylmethylene)-3(2H)-benzo...",NA,"COC1=CC2=C(C=C1)OC(=CC3=CC=C(O3)[N+](=O)[O-])C2=O","ZKJCFDIOIGKLOB-GHXNOFRVSA-N",10401775,NA,"PDBC26654","772277","Present",NA,NA
+"26655","5-Methoxy-2-methyl-1-[2-(4-methyl-piperazin-1-yl)-ethyl]-1H-indole-3-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-methoxy-2-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]-1h-indole-3-carboxylate hydrochloride",NA,"CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OC)CCN3CCN(CC3)C)C.Cl","UUGKFARVVURANL-UHFFFAOYSA-N",403034,NA,"PDBC26655","717507","Present",NA,NA
+"26656","5-Methoxy-2-phenyl-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bionet2_000700",NA,"COC1=CC2=C(C=C1)NC(=C2)C3=CC=CC=C3","XLYAWBZMLNSOBU-UHFFFAOYSA-N",292850,NA,"PDBC26656","159031","Present",NA,NA
+"26657","5-Methoxy-2-pyridin-4-yl-1H-benzoimidazole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-2-pyridin-4-yl-1H-benzoimidazole-4,7-dione",NA,"COC1=CC(=O)C2=C(C1=O)NC(=N2)C3=CC=NC=C3","ONMZXAONUNUDBY-UHFFFAOYSA-N",45027928,NA,"PDBC26657","740159","Present",NA,NA
+"26658","5-Methoxy-2H-naphtho[2,3-h]chromene-7,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-2H-naphtho[2,3-h]chromene-7,12-dione",NA,"COC1=C2C=CCOC2=C3C(=C1)C(=O)C4=CC=CC=C4C3=O","XSXCDQSWMAEDRL-UHFFFAOYSA-N",363263,NA,"PDBC26658","628015","Present",NA,NA
+"26659","5-Methoxy-3-[(5-methoxy-1,2-dimethylindol-3-yl)methyl]-1,2-dimethylindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-Methanediylbis(5-methoxy-1,2-dimethyl-1H-indole)",NA,"CC1=C(C2=C(N1C)C=CC(=C2)OC)CC3=C(N(C4=C3C=C(C=C4)OC)C)C","GAHNCSVYQXYSTN-UHFFFAOYSA-N",373115,NA,"PDBC26659","649057","Present",NA,NA
+"26660","5-Methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-3-[(Z)-2-pyridin-4-ylprop-1-enyl]-1H-indole",NA,"CC(=CC1=CNC2=C1C=C(C=C2)OC)C3=CC=NC=C3","SNVHSFVDDWBOPU-XFXZXTDPSA-N",5386680,NA,"PDBC26660","615606","Present",NA,NA
+"26661","5-Methoxy-3-[(Z)-[1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-methoxy-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3...",NA,"COC1=CC2=C(C=C1)NC(=C2C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC(=C(C(=C6)OC)OC)OC)O","WVTJNOKZSATQFJ-VKAVYKQESA-N",155816036,NA,"PDBC26661","761817","Present",NA,NA
+"26662","5-Methoxy-3-[(Z)-[1-(4-methoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-methoxy-3-((1-(4-methoxyphenyl)-9H-pyrido[3,4-b]in...",NA,"COC1=CC=C(C=C1)C2=NC(=CC3=C(NC4=C3C=C(C=C4)OC)O)C=C5C2=NC6=CC=CC=C65","GODPAVAAQBJPLE-VKAVYKQESA-N",155814535,NA,"PDBC26662","761840","Present",NA,NA
+"26663","5-Methoxy-3-[5-(5-methoxy-1-methylindol-3-yl)furan-2-yl]-1-methylindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3?-furan-2,5-diylbis(5-methoxy-1-methyl-1H-indole)",NA,"CN1C=C(C2=C1C=CC(=C2)OC)C3=CC=C(O3)C4=CN(C5=C4C=C(C=C5)OC)C","HSGZDGBPDNLOFS-UHFFFAOYSA-N",45028187,NA,"PDBC26663","741440","Present",NA,NA
+"26664","5-Methoxy-3-[5-(5-methoxy-1-methylindol-3-yl)thiophen-2-yl]-1-methylindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3?-THIENE-2,5-DIYLBIS(5-METHOXY-1-METHYL-1H-INDOLE)",NA,"CN1C=C(C2=C1C=CC(=C2)OC)C3=CC=C(S3)C4=CN(C5=C4C=C(C=C5)OC)C","JEYAYGBULNFGGQ-UHFFFAOYSA-N",45027913,NA,"PDBC26664","740105","Present",NA,NA
+"26665","5-Methoxy-3-methyl-N-naphthalen-1-yl-1,3-thiazolidin-2-imine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-3-methyl-N-naphthalen-1-yl-1,3-thiazolidin-2-imine;hydrobromide",NA,"CN1CC(SC1=NC2=CC=CC3=CC=CC=C32)OC.Br","ASQMQAAKYJUFJC-UHFFFAOYSA-N",5351235,NA,"PDBC26665","135996","Present",NA,NA
+"26666","5-Methoxy-3-{2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl] propyl}-2-phenyl-7-methyl-1,2,3,4-tetrahydropyrido [3,4-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-3-{2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazi...",NA,"CC1=CC2=C(C(=N1)OC)C(=O)N(N(C2=O)C3=CC=CC=C3)CC(CN4CCN(CC4)C5=CC=CC=C5OC)O","URIUMZGHMXQNHX-UHFFFAOYSA-N",24206052,NA,"PDBC26666","737791","Present",NA,NA
+"26667","5-Methoxy-3-{2-hydroxy-3-[4-(4-chlorophenyl)-1-piperazinyl]p ropyl}-2-phenyl-7-methyl-1,2,3,4-tetrahydropyrido[3,4-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-3-{2-hydroxy-3-[4-(4-chlorophenyl)-1-piperazin...",NA,"CC1=CC2=C(C(=N1)OC)C(=O)N(N(C2=O)C3=CC=CC=C3)CC(CN4CCN(CC4)C5=CC=C(C=C5)Cl)O","DAKHWTHCNINNMZ-UHFFFAOYSA-N",24206053,NA,"PDBC26667","737792","Present",NA,NA
+"26668","5-Methoxy-3-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl}-2-phenyl-7-methyl-1,2,3,4-tetrahydropyrido [3,4-d] pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-3-{3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl...",NA,"CC1=CC2=C(C(=N1)OC)C(=O)N(N(C2=O)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=CC=C5OC","PNIDULDBBYIPRU-UHFFFAOYSA-N",24206050,NA,"PDBC26668","737789","Present",NA,NA
+"26669","5-Methoxy-3-{3-[4-(4-chlorophenyl)-1-piperazinyl]propyl}-2-p henyl-7-methyl-1,2,3,4-tetrahydropyrido[3,4-d]pyri dazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-3-{3-[4-(4-chlorophenyl)-1-piperazinyl]propyl}...",NA,"CC1=CC2=C(C(=N1)OC)C(=O)N(N(C2=O)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=C(C=C5)Cl","SRMXBCRZYPXXET-UHFFFAOYSA-N",24206051,NA,"PDBC26669","737790","Present",NA,NA
+"26670","5-Methoxy-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"monomethyl glutarate",NA,"COC(=O)CCCC(=O)O","IBMRTYCHDPMBFN-UHFFFAOYSA-N",73917,NA,"PDBC26670","93807","Present",NA,NA
+"26671","5-Methoxy-6-[1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-benzodioxole, 5-methoxy-6-[1-(4-methoxyphenyl)ethyl]-",NA,"CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2OC)OCO3","NBIHTBVOSDHTJS-UHFFFAOYSA-N",72564,NA,"PDBC26671","350102","Present",NA,NA
+"26672","5-Methoxy-6-[5-methoxy-2,3-bis(4-methoxyphenyl)benzofuran-6-yl]-2,3-bis(4-methoxyphenyl)benzofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-6-[5-methoxy-2,3-bis(4-methoxyphenyl)benzofuran-6-yl]-2,3-bis(4-methoxyphenyl)benzofuran",NA,"COC1=CC=C(C=C1)C2=C(OC3=CC(=C(C=C32)OC)C4=C(C=C5C(=C4)OC(=C5C6=CC=C(C=C6)OC)C7=CC=C(C=C7)OC)OC)C8=CC=C(C=C8)OC","XAQLNJIPQIGYHU-UHFFFAOYSA-N",378129,NA,"PDBC26672","659933","Present",NA,NA
+"26673","5-Methoxy-6-methyl-pyrido[3,2-a]phenazin-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-6-methyl-pyrido[3,2-a]phenazin-1-ol",NA,"CC1=C(C2=NC=CC(=O)C2=C3C1=NC4=CC=CC=C4N3)OC","QLYVSONKHGZXCT-UHFFFAOYSA-N",389066,NA,"PDBC26673","684705","Present",NA,NA
+"26674","5-Methoxy-8-methyl-3,6-dihydroimidazo[4,5-e]indol-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-8-methyl-3,6-dihydroimidazo[4,5-e]indol-2(1H)-one",NA,"CC1=CNC2=C(C=C3C(=C12)NC(=O)N3)OC","DHPLWLFEGNWGHF-UHFFFAOYSA-N",393319,NA,"PDBC26674","694984","Present",NA,NA
+"26675","5-Methoxy-8-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-8-phenyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one",NA,"COC1=C2C3=C(C(=O)NCC3)NC2=C(C=C1)C4=CC=CC=C4","KZAABYCKQZQXOI-UHFFFAOYSA-N",363210,NA,"PDBC26675","627883","Present",NA,NA
+"26676","5-Methoxy-9h-quino[4,3,2-de][1,10]phenanthrolin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 5-methoxy-",NA,"COC1=CC2=C3C=CN=C4C3=C(C(=O)C5=C4N=CC=C5)N=C2C=C1","LSUJEFUOJJOYDR-UHFFFAOYSA-N",388732,NA,"PDBC26676","683785","Present",NA,NA
+"26677","5-Methoxy-N,N-dimethyl-2-isoxazolidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-N,N-dimethyl-2-isoxazolidinamine",NA,"CN(C)N1CCC(O1)OC","LBTHWSGMPQTSGM-UHFFFAOYSA-N",393286,NA,"PDBC26677","694951","Present",NA,NA
+"26678","5-Methoxy-N-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-methoxy-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylen...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C4=CC5=C(N4)C=CC(=C5)OC","DAUCUNPWRPIBQZ-LYIDXHOBSA-N",118245695,NA,"PDBC26678","785224","Present",NA,NA
+"26679","5-Methoxyspiro[1,2,3,8b-tetrahydrobiphenylene-4,2'-1,3-dioxane]-4a-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-methoxyspiro[1,2,3,8b-tetrahydrobiphenylene-4,2'-1,3-dioxane]-4a-ol",NA,"COC1=CC=CC2=C1C3(C2CCCC34OCCCO4)O","NEAGRBNXXQPCDX-UHFFFAOYSA-N",375533,NA,"PDBC26679","655312","Present",NA,NA
+"26680","5-Methoxysterigmatocystin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-ms",NA,"COC1=C2C(=C(C=C1)O)C(=O)C3=C(C=C4C(=C3O2)C5C=COC5O4)OC","VVRUNWFPOWIBDY-WPCRTTGESA-N",5351257,NA,"PDBC26680","178249","Present",NA,NA
+"26681","5-Methyl-1,10-phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-methylphenanthroline",NA,"CC1=CC2=C(C3=C1C=CC=N3)N=CC=C2","UJAQYOZROIFQHO-UHFFFAOYSA-N",72791,NA,"PDBC26681","4272","Present",NA,NA
+"26682","5-Methyl-1,3-bis[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrimidine-2,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1,3-bis[[3-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrimidine-2,4-dione;hydrochloride",NA,"CC1=CN(C(=O)N(C1=O)CC2=CC(=CC=C2)C3=NCCCN3)CC4=CC(=CC=C4)C5=NCCCN5.Cl","SDWLLFRLDIVRRL-UHFFFAOYSA-N",396429,NA,"PDBC26682","702405","Present",NA,NA
+"26683","5-Methyl-1,5-dihydro-4H-imidazo[4,5-d]pyridazine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1,5-dihydro-4H-imidazo[4,5-d]pyridazine-4-thione",NA,"CN1C(=S)C2=C(C=N1)NC=N2","GYOIUZHILFZIEB-UHFFFAOYSA-N",135441811,NA,"PDBC26683","690586","Present",NA,NA
+"26684","5-Methyl-1,6-diazacycloundecane-2,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1,6-diazacycloundecane-2,7-dione",NA,"CC1CCC(=O)NCCCCC(=O)N1","MPKAZGOWSJJXAK-UHFFFAOYSA-N",374025,NA,"PDBC26684","651204","Present",NA,NA
+"26685","5-Methyl-1,8-naphthyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SESKCZPDDQIHMO-UHFFFAOYSA-N",NA,"CC1=C2C=CC(=NC2=NC=C1)N","SESKCZPDDQIHMO-UHFFFAOYSA-N",387090,NA,"PDBC26685","680481","Present",NA,NA
+"26686","5-Methyl-1-((2-propynyloxy)methyl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1-((2-propynyloxy)methyl)-2,4(1H,3H)-pyrimidinedione",NA,"CC1=CN(C(=O)NC1=O)COCC#C","SXUKYUZVYLKUJJ-UHFFFAOYSA-N",376607,NA,"PDBC26686","657618","Present",NA,NA
+"26687","5-Methyl-1-(6-methyl-5-oxo-2H-pyran-2-yl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2,3,6-Trideoxy-.alpha.-L-glycero-hex-2-enopyranos-4- ...",NA,"CC1C(=O)C=CC(O1)N2C=C(C(=O)NC2=O)C","QPYYQASWHIBPQN-UHFFFAOYSA-N",368304,NA,"PDBC26687","638852","Present",NA,NA
+"26688","5-Methyl-1-(trifluoromethyl)-2H-pyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1-(trifluoromethyl)-2H-pyrido[4,3-b]carbazole",NA,"CC1=C2C=CNC(=C2C=C3C1=NC4=CC=CC=C43)C(F)(F)F","VVEWUKRAWIOEGT-UHFFFAOYSA-N",279769,NA,"PDBC26688","131039","Present",NA,NA
+"26689","5-Methyl-1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]pyrimidine-2,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1-[3-(1,4,5,6-tetrahydropyrimidin-2-yl)propyl]pyrimidine-2,4-dione;hydrochloride",NA,"CC1=CN(C(=O)NC1=O)CCCC2=NCCCN2.Cl","ACTOMBXQWRMUQX-UHFFFAOYSA-N",396431,NA,"PDBC26689","702406","Present",NA,NA
+"26690","5-Methyl-1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)butyl]pyrimidine-2,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)butyl]pyrimidine-2,4-dione hydrochloride",NA,"CC1=CN(C(=O)NC1=O)CCCCC2=NCCCN2.Cl","NYJXXLOIOMOSJA-UHFFFAOYSA-N",396437,NA,"PDBC26690","702409","Present",NA,NA
+"26691","5-Methyl-1-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)hexyl]pyrimidine-2,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)hexyl]pyrimidine-2,4-dione hydrochloride",NA,"CC1=CN(C(=O)NC1=O)CCCCCCC2=NCCCN2.Cl","SNRBFIPAPLAFCM-UHFFFAOYSA-N",396433,NA,"PDBC26691","702407","Present",NA,NA
+"26692","5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carbohydrazide",NA,"CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)NN","ZPJSUTAAQIVPKK-UHFFFAOYSA-N",24205549,NA,"PDBC26692","736148","Present",NA,NA
+"26693","5-Methyl-1-[[4-methylidene-5-oxo-2-(4-phenylphenyl)oxolan-2-yl]methyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1-[[4-methylene-5-oxo-2-(4-phenylphenyl)tetrahydrofuran-2-yl]methyl]pyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)CC2(CC(=C)C(=O)O2)C3=CC=C(C=C3)C4=CC=CC=C4","VJKKFWROBSMCSZ-UHFFFAOYSA-N",381502,NA,"PDBC26693","668258","Present",NA,NA
+"26694","5-Methyl-1-phenyl-1lambda5-phosphocane 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1-phenyl-1lambda5-phosphocane 1-oxide",NA,"CC1CCCP(=O)(CCC1)C2=CC=CC=C2","VOPHGYBVMMWOPG-UHFFFAOYSA-N",357564,NA,"PDBC26694","617048","Present",NA,NA
+"26695","5-Methyl-1-phenyl-6H-pyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1-phenyl-6H-pyrido[4,3-b]carbazole",NA,"CC1=C2C(=CC3=C1C=CN=C3C4=CC=CC=C4)C5=CC=CC=C5N2","ORUPXFHZHTYMFL-UHFFFAOYSA-N",258058,NA,"PDBC26695","86715","Present",NA,NA
+"26696","5-Methyl-11-phenyl-benzo[d][1,3,6,2]benzodioxazaborocine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-11-phenyl-benzo[d][1,3,6,2]benzodioxazaborocine",NA,NA,NA,NA,NA,"PDBC26696","626174","Present",NA,NA
+"26697","5-Methyl-1H-indole-2,3-dione 3-({2-nitrophenyl}hydrazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole-2,3-dione, 5-methyl-, 3-[(o-nitrophenyl)hydrazone]",NA,"CC1=CC2=C(C=C1)NC(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O","BMIMIWYZSBQQJU-UHFFFAOYSA-N",3632950,NA,"PDBC26697","117915","Present",NA,NA
+"26698","5-Methyl-2,2-bis(3-nitrophenyl)-3,4-diazabicyclo[3.1.0]hex-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2,2-bis(3-nitrophenyl)-3,4-diazabicyclo[3.1.0]hex-3-ene",NA,"CC12CC1C(N=N2)(C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-]","BMUYEZQNLCZIIN-UHFFFAOYSA-N",392964,NA,"PDBC26698","694178","Present",NA,NA
+"26699","5-Methyl-2,3,8,9,10,11-hexahydro[1]benzothieno[3,2-e]imidazo[1,2-c]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-10-thia-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraene",NA,"CC1=NC2=C(C3=C(S2)CCCC3)C4=NCCN14","XPWBHDPRISKPTP-UHFFFAOYSA-N",386696,NA,"PDBC26699","679226","Present",NA,NA
+"26700","5-Methyl-2-(2-methyl-6-nitro-anilino)thiophene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-(2-methyl-6-nitro-anilino)thiophene-3-carbonitrile",NA,"CC1=C(C(=CC=C1)[N+](=O)[O-])NC2=C(C=C(S2)C)C#N","ITVDBRUIOXMNOZ-UHFFFAOYSA-N",395465,NA,"PDBC26700","700028","Present",NA,NA
+"26701","5-Methyl-2-(3-phenoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-(3-phenoxyphenyl)-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one",NA,"CC1C(=O)N(C(S1)C2=CC(=CC=C2)OC3=CC=CC=C3)CCC4=CC=CS4","OGDDECPVJCPPRZ-UHFFFAOYSA-N",60147818,NA,"PDBC26701","752474","Present",NA,NA
+"26702","5-Methyl-2-(4-chlorophenyl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Chlorophenyl)-5-methyl-1,8-naphthyridin-4(1h)-one",NA,"CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=C(C=C3)Cl","CDDBFXDYCBYDPU-UHFFFAOYSA-N",386582,NA,"PDBC26702","679030","Present",NA,NA
+"26703","5-Methyl-2-(4-methyl-2-nitro-anilino)thiophene-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-(4-methyl-2-nitro-anilino)thiophene-3-carbonitrile",NA,"CC1=CC(=C(C=C1)NC2=C(C=C(S2)C)C#N)[N+](=O)[O-]","YGDGUDUBRJZFGJ-UHFFFAOYSA-N",395463,NA,"PDBC26703","700026","Present",NA,NA
+"26704","5-Methyl-2-(4-methylbenzyl)-2-indanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-(4-methylbenzyl)-2-indanecarboxylic acid",NA,"CC1=CC=C(C=C1)CC2(CC3=C(C2)C=C(C=C3)C)C(=O)O","BUOGLLQOXSAMNO-UHFFFAOYSA-N",382696,NA,"PDBC26704","670344","Present",NA,NA
+"26705","5-Methyl-2-(4-methylphenoxy)aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624230",NA,"CC1=CC=C(C=C1)OC2=C(C=C(C=C2)C)N.Cl","TYHPDWJVYOUNOK-UHFFFAOYSA-N",361288,NA,"PDBC26705","624230","Present",NA,NA
+"26706","5-Methyl-2-(4-morpholinyl)-3-phenyl-2,3-dihydro-1H-pyrrole-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-(4-morpholinyl)-3-phenyl-2,3-dihydro-1H-pyrrole-1,3-diol",NA,"CC1=CC(C(N1O)N2CCOCC2)(C3=CC=CC=C3)O","SZIUSUCCZLAWGO-UHFFFAOYSA-N",382417,NA,"PDBC26706","669980","Present",NA,NA
+"26707","5-Methyl-2-(4-nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-(4-nitrophenyl)-1,1-dioxo-isothiazolo[5,4-b]pyridin-3-one",NA,"CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]","QFLXXONRCKVUHA-UHFFFAOYSA-N",393174,NA,"PDBC26707","694628","Present",NA,NA
+"26708","5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one",NA,"CC1=CC2=C(N=C1)SN(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4","RGPSDCPHLKBKFX-UHFFFAOYSA-N",393165,NA,"PDBC26708","694619","Present",NA,NA
+"26709","5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3(2H)-one 1,1-dioxide",NA,"CC1=CC2=C(N=C1)S(=O)(=O)N(C2=O)C3=CC=C(C=C3)OC4=CC=CC=C4","PBPURYZVOPKVSY-UHFFFAOYSA-N",393176,NA,"PDBC26709","694630","Present",NA,NA
+"26710","5-Methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J7X181M78Y",NA,"CC1=CC(=C(S1)NC2=CC=CC=C2[N+](=O)[O-])C#N","NPXUFPFFHANGDL-UHFFFAOYSA-N",395460,NA,"PDBC26710","700023","Present",NA,NA
+"26711","5-Methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-[(E)-naphthalen-1-ylmethylideneamino]-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-[(4-methylpiperazin-1-yl)methyl]-4-[(E)-naphthalen-1-ylmethylideneamino]-1,2,4-triazole-3-thione",NA,"CC1=NN(C(=S)N1N=CC2=CC=CC3=CC=CC=C32)CN4CCN(CC4)C","GFCNOHCFLCQLHD-KGENOOAVSA-N",24205548,NA,"PDBC26711","736147","Present",NA,NA
+"26712","5-Methyl-2-[(E)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-[(E)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoic acid",NA,"CC1=CC(=C(C=C1)C=C2CC3=CC=CC(=C3C2=O)C)C(=O)O","HDSNSLZJRGNYNJ-OQLLNIDSSA-N",5876837,NA,"PDBC26712","678361","Present",NA,NA
+"26713","5-Methyl-2-[3-[[4-[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-[3-[[4-[[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride",NA,"CC1CN=C(N1)C2=CC(=CC=C2)OCC3=CC=C(C=C3)COC4=CC=CC(=C4)C5=NCC(N5)C.Cl","DUPMCMLFRARUGK-UHFFFAOYSA-N",400409,NA,"PDBC26713","711987","Present",NA,NA
+"26714","5-Methyl-2-[4-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-[4-[[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]phenyl]-4,5-dihydro-1H-imidazole;hydrochloride",NA,"CC1CN=C(N1)C2=CC=C(C=C2)COC3=CC=C(C=C3)C4=NCC(N4)C.Cl","HVYAPYAEMJDRIX-UHFFFAOYSA-N",400407,NA,"PDBC26714","711986","Present",NA,NA
+"26715","5-Methyl-2-[6'-deoxy-(2',4'-tri-O-benzyl-alfa-D-metylglic opiranoside)]-1,3,4-oxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-[6'-deoxy-(2',3',4'-tri-O-benzyl-alfa-D-metyl...",NA,"CC1=NN=C(O1)CC2C(C(C(C(O2)OC)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","WLJIFADKSGKIQS-UHFFFAOYSA-N",405716,NA,"PDBC26715","723171","Present",NA,NA
+"26716","5-Methyl-2-[7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-9H-fluoren-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-[7-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)-9H-fluoren-2-yl]-4,5-dihydro-1H-imidazole;hydrochloride",NA,"CC1CN=C(N1)C2=CC3=C(C=C2)C4=C(C3)C=C(C=C4)C5=NCC(N5)C.Cl","XCZCVNKOPMFHCY-UHFFFAOYSA-N",399685,NA,"PDBC26716","710604","Present",NA,NA
+"26717","5-Methyl-2-benzylimino-1,3-thiazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv2_000249",NA,"CC1CN=C(S1)NCC2=CC=CC=C2","TUSOLQRZIXORLP-UHFFFAOYSA-N",383596,NA,"PDBC26717","672014","Present",NA,NA
+"26718","5-Methyl-2-phenyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-phenyl-1,8-naphthyridin-4(1H)-one",NA,"CC1=C2C(=O)C=C(NC2=NC=C1)C3=CC=CC=C3","WGNSONPPEWQOMA-UHFFFAOYSA-N",377426,NA,"PDBC26718","658869","Present",NA,NA
+"26719","5-Methyl-2-phenyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-phenyl-3-(2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one",NA,"CC1C(=O)N(C(S1)C2=CC=CC=C2)CCC3=CC=CS3","GVNMTGIPILZCDH-UHFFFAOYSA-N",60147815,NA,"PDBC26719","752471","Present",NA,NA
+"26720","5-Methyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","ZTXBFFRIMLSCDV-UHFFFAOYSA-N",362441,NA,"PDBC26720","626390","Present",NA,NA
+"26721","5-Methyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=CC=C5","STDMHHFEFLFPDE-UHFFFAOYSA-N",362434,NA,"PDBC26721","626383","Present",NA,NA
+"26722","5-Methyl-2-phenylimino-1,3-thiazolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002244",NA,"CC1CN=C(S1)NC2=CC=CC=C2","QQURMDYWWNVZAF-UHFFFAOYSA-N",383595,NA,"PDBC26722","672013","Present",NA,NA
+"26723","5-Methyl-2-phenyloxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH864483",NA,"CC1=CN=C(O1)C2=CC=CC=C2","MULZWPFQTUDZPD-UHFFFAOYSA-N",247829,NA,"PDBC26723","619205","Present",NA,NA
+"26724","5-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-thiophenecarbaldehyde (4,6-dimethyl-2-quinolinyl)hydrazone",NA,"CC1=CC2=C(C=C1)N=C(C=C2C)NN=CC3=CC=C(S3)C","KDXMRFQQIWZUIY-VCHYOVAHSA-N",9556286,NA,"PDBC26724","683919","Present",NA,NA
+"26725","5-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-thiophenecarbaldehyde (4,8-dimethyl-2-quinolinyl)hydrazone",NA,"CC1=C2C(=CC=C1)C(=CC(=N2)NN=CC3=CC=C(S3)C)C","FBDVYMUXPCSYIP-VCHYOVAHSA-N",9556287,NA,"PDBC26725","683920","Present",NA,NA
+"26726","5-Methyl-2-thiophenecarbaldehyde (4-methyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB01329105-02",NA,"CC1=CC=C(S1)C=NNC2=NC3=CC=CC=C3C(=C2)C","SZDNAIARPOBGAJ-LICLKQGHSA-N",9556285,NA,"PDBC26726","683918","Present",NA,NA
+"26727","5-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-thiophenecarbaldehyde (6-methoxy-4-methyl-2-quinolinyl)hydrazone",NA,"CC1=CC=C(S1)C=NNC2=NC3=C(C=C(C=C3)OC)C(=C2)C","FVLSZGOTTZCLEG-VCHYOVAHSA-N",9556288,NA,"PDBC26727","683921","Present",NA,NA
+"26728","5-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-thiophenecarbaldehyde (7-methoxy-4-methyl-2-quinolinyl)hydrazone",NA,"CC1=CC=C(S1)C=NNC2=NC3=C(C=CC(=C3)OC)C(=C2)C","VVHZVOCKIDIYIJ-VCHYOVAHSA-N",9556289,NA,"PDBC26728","683922","Present",NA,NA
+"26729","5-Methyl-2-thiophenecarbaldehyde 1,3-benzothiazol-2-ylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-thiophenecarbaldehyde 1,3-benzothiazol-2-ylhydrazone",NA,"CC1=CC=C(S1)C=NNC2=NC3=CC=CC=C3S2","PROQIBHESKWZBX-RIYZIHGNSA-N",9556282,NA,"PDBC26729","683915","Present",NA,NA
+"26730","5-Methyl-2-thiophenecarbaldehyde 1-phthalazinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-thiophenecarbaldehyde 1-phthalazinylhydrazone",NA,"CC1=CC=C(S1)C=NNC2=NN=CC3=CC=CC=C32","RWTOMRNSNXDPFA-CXUHLZMHSA-N",9556283,NA,"PDBC26730","683916","Present",NA,NA
+"26731","5-Methyl-2-thiophenecarbaldehyde 2-pyrazinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-thiophenecarbaldehyde 2-pyrazinylhydrazone",NA,"CC1=CC=C(S1)C=NNC2=NC=CN=C2","SUGRSOCDWSQXTJ-AWNIVKPZSA-N",9556281,NA,"PDBC26731","683914","Present",NA,NA
+"26732","5-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-thiophenecarbaldehyde 2-pyridinylhydrazone",NA,"CC1=CC=C(S1)C=NNC2=CC=CC=N2","FIUOGEOQFLPJCI-MDWZMJQESA-N",9556279,NA,"PDBC26732","683912","Present",NA,NA
+"26733","5-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-thiophenecarbaldehyde 2-pyrimidinylhydrazone",NA,"CC1=CC=C(S1)C=NNC2=NC=CC=N2","PXOAHDPJJGMMCC-NTUHNPAUSA-N",9556280,NA,"PDBC26733","683913","Present",NA,NA
+"26734","5-Methyl-2-thiophenecarbaldehyde 2-quinolinylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB01321011-02",NA,"CC1=CC=C(S1)C=NNC2=NC3=CC=CC=C3C=C2","LLUZDLQWFNLXAP-MHWRWJLKSA-N",9556284,NA,"PDBC26734","683917","Present",NA,NA
+"26735","5-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-thiophenecarbaldehyde 4,5-dihydro-1H-imidazol-2-ylhydrazone",NA,"CC1=CC=C(S1)C=NNC2=NCCN2","PCPIXSRMKGPMEL-WUXMJOGZSA-N",9556278,NA,"PDBC26735","683911","Present",NA,NA
+"26736","5-Methyl-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-methyl-2-{[(2)-3-phenylprop-2-enoyl]amino}benzamide",NA,"CC1=CC(=C(C=C1)NC(=O)C=CC2=CC=CC=C2)C(=O)N","OQFPJSWMWKUZON-CSKARUKUSA-N",53329052,NA,"PDBC26736","748147","Present",NA,NA
+"26737","5-Methyl-3,10,11-triaza-11H-benzo[b]fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Pyrido[3',4':4,5]pyrrolo[2,3-b]quinoline, 11-methyl",NA,"CC1=C2C3=C(C=CN=C3)NC2=NC4=CC=CC=C14","JBYMKEBMCKBUKP-UHFFFAOYSA-N",5472897,NA,"PDBC26737","722422","Present",NA,NA
+"26738","5-Methyl-3,5-diphenyl-4,5-dihydroisoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-3,5-diphenyl-4,5-dihydroisoxazole",NA,"CC1(CC(=NO1)C2=CC=CC=C2)C3=CC=CC=C3","LSLHDHRGDNWNDN-UHFFFAOYSA-N",368754,NA,"PDBC26738","639908","Present",NA,NA
+"26739","5-Methyl-3,7,10,11-tetraaza-11H-benzo[b]fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Pyrido[3',4':4,5]pyrrolo[2,3-b][1,6]naphthyridine, 11...",NA,"CC1=C2C=NC=CC2=NC3=C1C4=C(N3)C=CN=C4","GDVZVLLPMMOFLN-UHFFFAOYSA-N",5472898,NA,"PDBC26739","722423","Present",NA,NA
+"26740","5-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-3-(1-naphthyl)-2-benzofuran-1(3H)-one",NA,"CC1=CC2=C(C=C1)C(=O)OC2C3=CC=CC4=CC=CC=C43","LOUQMLNYAOBMLV-UHFFFAOYSA-N",362085,NA,"PDBC26740","625608","Present",NA,NA
+"26741","5-Methyl-3-(3-nitrophenyl)-5-phenyl-4H-isoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-3-(3-nitrophenyl)-5-phenyl-4,5-dihydro-1,2-oxazole",NA,"CC1(CC(=NO1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3","OQPBEHCWTUHRJG-UHFFFAOYSA-N",368749,NA,"PDBC26741","639903","Present",NA,NA
+"26742","5-Methyl-3-(4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-3-(4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,"CC1=CC2=C(C=C1)C(=O)OC2C3CC4=C(C=CC=C4C3=O)C","FSFQKEQXWGVJHW-UHFFFAOYSA-N",385676,NA,"PDBC26742","677022","Present",NA,NA
+"26743","5-Methyl-3-(7-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-3-(7-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,"CC1=CC2=C(C=C1)C(=O)OC2C3CC4=CC=CC(=C4C3=O)C","OSURRXSQPWVEJI-UHFFFAOYSA-N",385685,NA,"PDBC26743","677031","Present",NA,NA
+"26744","5-Methyl-3-(palmitoyloxy)-5-phenyl-2,4-imidazolidinedithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-3-(palmitoyloxy)-5-phenyl-2,4-imidazolidinedithione",NA,"CCCCCCCCCCCCCCCC(=O)ON1C(=S)C(NC1=S)(C)C2=CC=CC=C2","KRRGUCFOEOGFPW-UHFFFAOYSA-N",3005240,NA,"PDBC26744","685457","Present",NA,NA
+"26745","5-Methyl-3-[3-(trifluoromethyl)phenyl]-1,3,5-thiadiazinane-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-3-[3-(trifluoromethyl)phenyl]-1,3,5-thiadiazinane-2-thione",NA,"CN1CN(C(=S)SC1)C2=CC=CC(=C2)C(F)(F)F","JGRLIJIUCFJVSK-UHFFFAOYSA-N",399776,NA,"PDBC26745","710871","Present",NA,NA
+"26746","5-Methyl-3-oxido-[1,2,5]oxadiazolo[3,4-c]quinolin-3-ium-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-4-oxo-oxadiazolo(5,4-c)quinolin-3-N-oxide (furo...",NA,"CN1C2=CC=CC=C2C3=NO[N+](=C3C1=O)[O-]","PWURDIDMPKBPSL-UHFFFAOYSA-N",387475,NA,"PDBC26746","681278","Present",NA,NA
+"26747","5-Methyl-3-phenyl[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazole-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-3-phenyl[1,3]thiazolo[4',5':4,5]pyrimido[1,6-a]benzimidazole-2(3H)-thione",NA,"CC1=NC2=C(C3=NC4=CC=CC=C4N13)SC(=S)N2C5=CC=CC=C5","XENORUDXDLKIQI-UHFFFAOYSA-N",365513,NA,"PDBC26747","633193","Present",NA,NA
+"26748","5-Methyl-3-propan-2-yl-2-(propan-2-ylamino)-2,6-dihydropyrimido[5,4-e][1,3]thiazine-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isopropyl-2-(isopropylamino)-5-methyl-2,6-dihydropyrimido[5,4-e][1,3]thiazine-4,7-dione",NA,"CC1=C2C(=NC(=O)N1)SC(N(C2=O)C(C)C)NC(C)C","NBONINXQIQQNMH-UHFFFAOYSA-N",392191,NA,"PDBC26748","692318","Present",NA,NA
+"26749","5-Methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)NC2=O","OLOSNFPZLRYELF-UHFFFAOYSA-N",361385,NA,"PDBC26749","624409","Present",NA,NA
+"26750","5-Methyl-4,6-dihydro-3H-pyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000403",NA,"CC1=C2CCN=CC2=CC3=C1NC4=CC=CC=C43","HEIREDMIGONFIR-UHFFFAOYSA-N",257702,NA,"PDBC26750","86100","Present",NA,NA
+"26751","5-Methyl-4-nonyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-4-nonyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CCCCCCCCCC1C(C2=C(C3C1C(=O)N(C3=O)C4=CC=CC=C4)NC5=CC=CC=C52)C","QHYWGGCZUYFENA-UHFFFAOYSA-N",362918,NA,"PDBC26751","627393","Present",NA,NA
+"26752","5-Methyl-4-octyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-4-octyl-2-phenyl-4,5,10,10b-tetrahydropyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,"CCCCCCCCC1C(C2=C(C3C1C(=O)N(C3=O)C4=CC=CC=C4)NC5=CC=CC=C52)C","QWCYEDXOPGWJIG-UHFFFAOYSA-N",362916,NA,"PDBC26752","627391","Present",NA,NA
+"26753","5-Methyl-4-oxothieno[2,3-d]pyrimidin-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-4-oxothieno[2,3-d]pyrimidin-6-carboxylic acid",NA,"CC1=C(SC2=C1C(=O)NC=N2)C(=O)O","CYNGLBSDKJIAOD-UHFFFAOYSA-N",405802,NA,"PDBC26753","723454","Present",NA,NA
+"26754","5-Methyl-5,6-dihydro-4H-pyrrolo[1,2-b][1,2,5]benzothiadiazocin-4-one 11,11-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-2,2-dioxo-2lambda6-thia-3,9-diazatricyclo[9.4.0.03,7]pentadeca-1(15),4,6,11,13-pentaen-8-one",NA,"CN1CC2=CC=CC=C2S(=O)(=O)N3C=CC=C3C1=O","ZLSMILRMDXQMJC-UHFFFAOYSA-N",393145,NA,"PDBC26754","694558","Present",NA,NA
+"26755","5-Methyl-5,6-dihydrodibenzo(b,f)azocine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11Z)-5-Methyl-6H-benzo[c][1]benzazocine",NA,"CN1CC2=CC=CC=C2C=CC3=CC=CC=C31","IVOFJIIPVDWCEX-KHPPLWFESA-N",5383660,NA,"PDBC26755","179333","Present",NA,NA
+"26756","5-Methyl-5-(2-phenylmethoxyethyl)imidazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC34506",NA,"CC1(C(=O)NC(=O)N1)CCOCC2=CC=CC=C2","HTCZFYMCCQZEIX-UHFFFAOYSA-N",234514,NA,"PDBC26756","34506","Present",NA,NA
+"26757","5-Methyl-5H-dibenzo[b,d]thiophen-5-ium trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656585",NA,"C[S+]1C2=CC=CC=C2C3=CC=CC=C31.C(F)(F)(F)S(=O)(=O)[O-]","ROHWBLNJJVPWCN-UHFFFAOYSA-M",24202431,NA,"PDBC26757","656585","Present",NA,NA
+"26758","5-Methyl-6(5h)-phenanthridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM4594734",NA,"CN1C2=CC=CC=C2C3=CC=CC=C3C1=O","UWZASNFULUENAC-UHFFFAOYSA-N",285022,NA,"PDBC26758","141586","Present",NA,NA
+"26759","5-Methyl-6-phenyl-2-(2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-6-phenyl-2-(2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine",NA,"CC1=CCN(OC1C2=CC=CC=C2)C3=CC=CC=N3","AGQPVKZKNMAYHH-UHFFFAOYSA-N",370841,NA,"PDBC26759","644547","Present",NA,NA
+"26760","5-Methyl-7,7a,8,9-tetrahydro-5H-pyrido[2,3-b]pyrrolo[1,2-d][1,4]diazepine-6,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-2,9,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-3,8-dione",NA,"CN1C(=O)CC2CCC(=O)N2C3=C1N=CC=C3","QARUIXZYSAUIAU-UHFFFAOYSA-N",386269,NA,"PDBC26760","678011","Present",NA,NA
+"26761","5-Methyl-7,8-dihydropyrido[2,3-e]pyrrolo[1,2-a]pyrazine-6,9(5H,6aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-triene-3,7-dione",NA,"CN1C(=O)C2CCC(=O)N2C3=C1N=CC=C3","YREUNLNRDCUJNM-UHFFFAOYSA-N",386267,NA,"PDBC26761","678009","Present",NA,NA
+"26762","5-Methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)-5-hepten-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)-5-hepten-1-ol",NA,"CC1=C(C(=C(C(=C1OC)OC)OC)OC)CC=C(C)CCCCO","ZWSIESAPZRNMLS-JLHYYAGUSA-N",5469369,NA,"PDBC26762","687142","Present",NA,NA
+"26763","5-Methyl-7-[(Z)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-7-[(Z)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]quinolin-8-ol;iodide",NA,"CC1=CC(=C(C2=C1C=CC=N2)O)C=CC3=[N+](C4=CC=CC=C4C=C3)C.[I-]","DMEJKDJMEXYFBM-UHFFFAOYSA-N",135534469,NA,"PDBC26763","86368","Present",NA,NA
+"26764","5-Methyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-7-methylsulfanyl-imidazo[4,5-d]pyridazine",NA,"CN1C=C2C(=NC=N2)C(=N1)SC","YSJMHNKVUFPWIV-UHFFFAOYSA-N",391409,NA,"PDBC26764","690582","Present",NA,NA
+"26765","5-Methyl-7-phenyl-3H-indolizin-4-ium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-7-phenyl-3H-indolizin-4-ium;perchlorate",NA,"CC1=CC(=CC2=[N+]1CC=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O","FTUKHQPWHQETNG-UHFFFAOYSA-M",13860658,NA,"PDBC26765","622506","Present",NA,NA
+"26766","5-Methyl-8-(6-methylhept-5-en-2-yl)-3-(piperidin-4-ylmethyl)-2,4-dihydro-1,3-benzoxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-8-(6-methylhept-5-en-2-yl)-3-(piperidin-4-ylmethyl)-2,4-dihydro-1,3-benzoxazine",NA,"CC1=C2CN(COC2=C(C=C1)C(C)CCC=C(C)C)CC3CCNCC3","VZPLMUMQRZOPJJ-UHFFFAOYSA-N",54613303,NA,"PDBC26766","751107","Present",NA,NA
+"26767","5-Methyl-9-nitro-11-oxo-5,11-dihydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-9-nitro-11-oxo-5,11-dihydrobenzimidazo[1,2-b]isoquinoline-6-carbonitrile",NA,"CN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N","JAQFLNOFBUJPLG-UHFFFAOYSA-N",392509,NA,"PDBC26767","693026","Present",NA,NA
+"26768","5-Methyl-9H-[1,3]dioxolo[4,5-j]phenanthridin-5-ium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,3]Dioxolo[4,5-j]phenanthridinium, 5-methyl-, chloride",NA,"C[N+]1=CC2=CC3=C(C=C2C4=CC=CC=C41)OCO3.[Cl-]","OOPDPMYYWQANBR-UHFFFAOYSA-M",14526905,NA,"PDBC26768","271952","Present",NA,NA
+"26769","5-Methyl-N,3-bis(5-methylthiazol-2-yl)thiazol-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-N,3-bis(5-methylthiazol-2-yl)thiazol-2-imine",NA,"CC1=CN=C(S1)N=C2N(C=C(S2)C)C3=NC=C(S3)C","QPROHXBKLOKNNL-QINSGFPZSA-N",9571431,NA,"PDBC26769","659926","Present",NA,NA
+"26770","5-Methyl-N-(4-piperidin-1-ylphenyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-N-(4-piperidin-1-ylphenyl)-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride",NA,"C[N+]1=C2C3=CC=CC=C3NC2=C(C4=CC=CC=C41)NC5=CC=C(C=C5)N6CCCCC6.[Cl-]","KKTYQIZMCZOJPP-UHFFFAOYSA-N",51051406,NA,"PDBC26770","748394","Present",NA,NA
+"26771","5-Methyl-N-(6-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-N-(6-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,"CC1CCCCC12N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5","MCEIFMRDBQFCKO-UHFFFAOYSA-N",24205424,NA,"PDBC26771","735518","Present",NA,NA
+"26772","5-Methyl-N-(7-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-N-(7-methyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-3-phenyl-1H-indole-2-carboxamide",NA,"CC1CCCC2(C1)N(C(=O)CS2)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5","KAIPMRPERIKUSK-UHFFFAOYSA-N",24205426,NA,"PDBC26772","735520","Present",NA,NA
+"26773","5-Methyl-N-[(E)-(4-methylthiophen-2-yl)methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-N-[(E)-(4-methylthiophen-2-yl)methylideneamino]-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide",NA,"CC1=CSC(=C1)C=NNC(=O)C2=C(N(N=N2)C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C","IVNVUEHTZOKTJJ-YCPBAFNGSA-N",24205551,NA,"PDBC26773","736151","Present",NA,NA
+"26774","5-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,"CC1=CC2=C(C=C1)SC(=N2)NN=C(C)C3=CC=CC=N3","LIWHRJNCBZCQNJ-WOJGMQOQSA-N",9572094,NA,"PDBC26774","703109","Present",NA,NA
+"26775","5-Methyl-N-phenyl-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-N-phenyl-1,3,4-oxadiazol-2-amine",NA,"CC1=NN=C(O1)NC2=CC=CC=C2","SHLMUYASEZEYLV-UHFFFAOYSA-N",379430,NA,"PDBC26775","663975","Present",NA,NA
+"26776","5-Methyl-N-phenyl-1-(7-(trifluoromethyl)-4-quinolinyl)-1H-1,2,3-triazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-N-phenyl-1-(7-(trifluoromethyl)-4-quinolinyl)-1H-1,2,3-triazole-4-carboxamide",NA,"CC1=C(N=NN1C2=C3C=CC(=CC3=NC=C2)C(F)(F)F)C(=O)NC4=CC=CC=C4","LNGAXPDIBURMAO-UHFFFAOYSA-N",387516,NA,"PDBC26776","681327","Present",NA,NA
+"26777","5-Methyl-N-phenyl-5H-indolo[2,3-B]quinolin-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-N-phenyl-5H-indolo[2,3-B]quinolin-11-amine",NA,"CN1C2=CC=CC=C2C(=NC3=CC=CC=C3)C4=C1NC5=CC=CC=C54","TUODYPNSPPCXSX-UHFFFAOYSA-N",135585429,NA,"PDBC26777","727484","Present",NA,NA
+"26778","5-Methyl-N-piperidin-4-yl-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-N-piperidin-4-yl-10H-indolo[3,2-b]quinolin-5-ium-11-amine;chloride;hydrochloride",NA,"C[N+]1=C2C3=CC=CC=C3NC2=C(C4=CC=CC=C41)NC5CCNCC5.Cl.[Cl-]","OKVOKXASFPIVPI-UHFFFAOYSA-N",54612840,NA,"PDBC26778","748392","Present",NA,NA
+"26779","5-Methylbenzimidazo[1,2-a][1,8]naphthyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methylbenzimidazo[1,2-a][1,8]naphthyridin-2-amine",NA,"CC1=CC2=NC3=CC=CC=C3N2C4=C1C=CC(=N4)N","YZMMEEUYSYZYLT-UHFFFAOYSA-N",387362,NA,"PDBC26779","681114","Present",NA,NA
+"26780","5-Methylbenzimidazo[1,2-a]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methylbenzimidazo[1,2-a]quinoline",NA,"CC1=CC2=NC3=CC=CC=C3N2C4=CC=CC=C14","VPBZGPHGDZYQDE-UHFFFAOYSA-N",379119,NA,"PDBC26780","663333","Present",NA,NA
+"26781","5-Methylbenzo[c]phenanthridin-5-ium-2,3,8,9-tetrol;pyridine;chloride;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methylbenzo[c]phenanthridin-5-ium-2,3,8,9-tetrol;pyridine;chloride;hydrochloride",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)O)O)O)O.C1=CC=NC=C1.Cl.[Cl-]","NNEFJSLYNXKDOK-UHFFFAOYSA-N",5351258,NA,"PDBC26781","184403","Present",NA,NA
+"26782","5-Methylcyclohex-2-en-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyclohexen-1-ol, 5-methyl-",NA,"CC1CC=CC(C1)O","RABYZONTKHYCAK-UHFFFAOYSA-N",359231,NA,"PDBC26782","619940","Present",NA,NA
+"26783","5-Methyldeoxycytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2'-deoxy-cytidine",NA,"CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O","LUCHPKXVUGJYGU-UHFFFAOYSA-N",1835,NA,"PDBC26783","607302","Present",NA,NA
+"26784","5-Methylindolo[2,3-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NEOCRYPTOLEPINE",NA,"CN1C2=CC=CC=C2C=C3C1=NC4=CC=CC=C43","PZIIKMBOSNKNFZ-UHFFFAOYSA-N",390526,NA,"PDBC26784","687967","Present",NA,NA
+"26785","5-Methylindolo[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"crytosanguinolentine",NA,"CN1C=C2C3=CC=CC=C3N=C2C4=CC=CC=C41","GLYLOCYYFNTVGX-UHFFFAOYSA-N",380925,NA,"PDBC26785","666709","Present",NA,NA
+"26786","5-Methylsulfanyl-7-(propan-2-ylamino)-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methylsulfanyl-7-(propan-2-ylamino)-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol",NA,"CC(C)NC1=C2C(N3C4=CC=CC=C4N=C3SC2=NC(=N1)SC)O","OWOZJUCMIJUISZ-UHFFFAOYSA-N",399935,NA,"PDBC26786","711087","Present",NA,NA
+"26787","5-Methylsulfanyl-7-morpholin-4-yl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methylsulfanyl-7-morpholin-4-yl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol",NA,"CSC1=NC(=C2C(N3C4=CC=CC=C4N=C3SC2=N1)O)N5CCOCC5","NVGPQUGITMKGOU-UHFFFAOYSA-N",399931,NA,"PDBC26787","711083","Present",NA,NA
+"26788","5-Methylsulfanyl-9-oxo-17-thia-4,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methylsulfanyl-9-oxo-17-thia-4,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11,13,15-hexaene-2-carbonitrile",NA,"CSC1=NC=C2C(=N1)C(C3N(C2=O)C4=CC=CC=C4S3)C#N","ZPCRMJZZPNLWGW-UHFFFAOYSA-N",395223,NA,"PDBC26788","699698","Present",NA,NA
+"26789","5-Morpholino-1,5-diphenyl-pent-1-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Morpholino-1,5-diphenyl-pent-1-en-3-one",NA,"C1COCCN1C(CC(=O)C=CC2=CC=CC=C2)C3=CC=CC=C3","YFPFQFKTAUHLTR-VAWYXSNFSA-N",6184372,NA,"PDBC26789","33570","Present",NA,NA
+"26790","5-Morpholino-5h-chromeno[4,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Morpholino-5h-chromeno[4,3-d]pyrimidin-2-amine",NA,"C1COCCN1C2C3=CN=C(N=C3C4=CC=CC=C4O2)N","QHYDPTNKGCAARJ-UHFFFAOYSA-N",390587,NA,"PDBC26790","688110","Present",NA,NA
+"26791","5-Mpba",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Mpba",NA,"CN1C2=CC=CC=C2N(C(C3=CC=CN31)CC(=O)O)C(=O)C4=CC=C(C=C4)OC","VEGYGKDKQZDMTG-UHFFFAOYSA-N",131456,NA,"PDBC26791","644253","Present",NA,NA
+"26792","5-N,11-N-Bis(1,3-benzodioxol-5-ylmethyl)pentadecane-5,11-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-N,11-N-Bis(1,3-benzodioxol-5-ylmethyl)pentadecane-5,11-diamine;hydrochloride",NA,"CCCCC(CCCCCC(CCCC)NCC1=CC2=C(C=C1)OCO2)NCC3=CC4=C(C=C3)OCO4.Cl","JPMMSGWPIKKAFL-UHFFFAOYSA-N",24183463,NA,"PDBC26792","27413","Present",NA,NA
+"26793","5-Naphthalen-2-yl-3-(5-naphthalen-2-yloxazol-3-yl)oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Naphthalen-2-yl-3-(5-naphthalen-2-yloxazol-3-yl)oxazole",NA,"C1=CC=C2C=C(C=CC2=C1)C3=CC(=NO3)C4=NOC(=C4)C5=CC6=CC=CC=C6C=C5","MDCYFLAZVPQFHT-UHFFFAOYSA-N",340661,NA,"PDBC26793","371682","Present",NA,NA
+"26794","5-Nitro-1,1-dioxo-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-1,1-dioxo-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one",NA,"C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(S3(=O)=O)N=CC(=C4)[N+](=O)[O-]","LCAXHNPQAJQOMI-UHFFFAOYSA-N",394800,NA,"PDBC26794","698602","Present",NA,NA
+"26795","5-Nitro-1,2,3-tris(p-tolylsulfanyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Tris[(4-methylphenyl)sulfanyl]-5-nitrobenzene",NA,"CC1=CC=C(C=C1)SC2=CC(=CC(=C2SC3=CC=C(C=C3)C)SC4=CC=C(C=C4)C)[N+](=O)[O-]","AISGTDDXODBKQW-UHFFFAOYSA-N",371139,NA,"PDBC26795","645140","Present",NA,NA
+"26796","5-Nitro-1,3,2lambda2-benzodioxastannole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-1,3,2lambda2-benzodioxastannole",NA,"C1=CC2=C(C=C1[N+](=O)[O-])O[Sn]O2","KMUJSTVXKHPLSD-UHFFFAOYSA-L",16684872,NA,"PDBC26796","634375","Present",NA,NA
+"26797","5-Nitro-2'-deoxy-5'-uridyl 4-nitrofurfuryl N-methyl-N-(4-chlorobutyl) phosphoramidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-nitro-2'-deoxy-5'-uridyl 4-nitrofurfuryl N-methyl-N-(4...",NA,"CN(CCCCCl)P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)[N+](=O)[O-])O)OCC3=CC=C(O3)[N+](=O)[O-]","BXIMOHZTGMRCKE-UHFFFAOYSA-N",24205572,NA,"PDBC26797","736181","Present",NA,NA
+"26798","5-Nitro-2-(2-pyridylmethyl)-1H-indazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-2-(2-pyridylmethyl)-1H-indazol-3-one",NA,"C1=CC=NC(=C1)CN2C(=O)C3=C(N2)C=CC(=C3)[N+](=O)[O-]","GALGLDSKMWWFJV-UHFFFAOYSA-N",438825,NA,"PDBC26798","675828","Present",NA,NA
+"26799","5-Nitro-2-(4-nitrophenyl)-1-oxido-indol-1-ium-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-nitro-2-(4-nitrophenyl)-1-oxido-indol-1-ium-3-one",NA,"C1=CC(=CC=C1C2=[N+](C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])[O-])[N+](=O)[O-]","GJKFKVICLPOMSJ-UHFFFAOYSA-N",362452,NA,"PDBC26799","626399","Present",NA,NA
+"26800","5-Nitro-2-(4-nitrophenyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM1772390",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","XJIPBORERCFIIP-UHFFFAOYSA-N",74495,NA,"PDBC26800","657186","Present",NA,NA
+"26801","5-Nitro-2-(4-nitrophenyl)isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-nitro-2-(4-nitrophenyl)isothiazolo[5,4-b]pyridin-3(2H)...",NA,"C1=CC(=CC=C1N2C(=O)C3=C(S2)N=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","HIFFZHAFMRRMFV-UHFFFAOYSA-N",393164,NA,"PDBC26801","694618","Present",NA,NA
+"26802","5-Nitro-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-2-(4-phenoxyphenyl)isothiazolo[5,4-b]pyridin-3-one",NA,"C1=CC=C(C=C1)OC2=CC=C(C=C2)N3C(=O)C4=C(S3)N=CC(=C4)[N+](=O)[O-]","TZRHOHNOIZWCNF-UHFFFAOYSA-N",393166,NA,"PDBC26802","694620","Present",NA,NA
+"26803","5-Nitro-2-[(4-nitrobenzoyl)amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-2-[(4-nitrobenzoyl)amino]benzoic acid",NA,"C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)[N+](=O)[O-]","XIBQBHVJHOIQIH-UHFFFAOYSA-N",362494,NA,"PDBC26803","626517","Present",NA,NA
+"26804","5-Nitro-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(2-Pyrrolidinoethoxy)phenyl]-3-nitro-1,8-naphthalimide",NA,"C1CCN(C1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)[N+](=O)[O-]","VIYLUPSCDWSERJ-UHFFFAOYSA-N",386721,NA,"PDBC26804","679264","Present",NA,NA
+"26805","5-Nitro-2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]benzenesulfonic acid",NA,"CC(=NNC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)O)C2=CC=CC=N2","NQXJJTJTMSOYHA-RQZCQDPDSA-N",5372411,NA,"PDBC26805","354667","Present",NA,NA
+"26806","5-Nitro-2-p-tolyl-1H-benzoimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0033453",NA,"CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-]","AAMPIRQLXWIYCV-UHFFFAOYSA-N",376349,NA,"PDBC26806","657181","Present",NA,NA
+"26807","5-Nitro-2-pyrimidin-4-ylsulfanyl-1,3-thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-nitro-2-(4-pyrimidylthio)thiazole",NA,"C1=CN=CN=C1SC2=NC=C(S2)[N+](=O)[O-]","SPNKLYOUOJJHBK-UHFFFAOYSA-N",100520,NA,"PDBC26807","311727","Present",NA,NA
+"26808","5-Nitro-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-3-(3-oxo-1H-indol-2-ylidene)-1H-indol-2-one",NA,"C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)[N+](=O)[O-])O","SJVVUBXEQRYTIE-UHFFFAOYSA-N",135418376,NA,"PDBC26808","717813","Present",NA,NA
+"26809","5-Nitro-3-{[(4-nitrophenyl)amino]azamethylene}-1H-benzo[d]azolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-3-[(4-nitrophenyl)diazenyl]-1H-indol-2-ol",NA,"C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O)[N+](=O)[O-]","WEFZNDAKTMXLJH-UHFFFAOYSA-N",4316336,NA,"PDBC26809","649167","Present",NA,NA
+"26810","5-Nitro-7-phenyl-triazolo[4,5-g][2,1,3]benzoxadiazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-7-phenyl-6,7-dihydro-4H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazol-4-one",NA,"C1=CC=C(C=C1)N2N=C3C(=C(C4=NON=C4C3=N2)O)[N+](=O)[O-]","SHOLTNAKNPDSFG-UHFFFAOYSA-N",135409219,NA,"PDBC26810","669454","Present",NA,NA
+"26811","5-Nitro-N-(pyridin-3-ylmethyl)furan-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-nitro-N-((pyridin-3-yl)methyl)furan-2-carboxamide",NA,"C1=CC(=CN=C1)CNC(=O)C2=CC=C(O2)[N+](=O)[O-]","OBZHOVWNZIVCCZ-UHFFFAOYSA-N",693996,NA,"PDBC26811","752506","Present",NA,NA
+"26812","5-Nitro-N-phenyl-2-furancarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitro-N-phenyl-2-furancarbothioamide",NA,"C1=CC=C(C=C1)NC(=S)C2=CC=C(O2)[N+](=O)[O-]","PXGDGKMFVWLDMY-UHFFFAOYSA-N",5471620,NA,"PDBC26812","712206","Present",NA,NA
+"26813","5-Nitrocinnoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitrocinnoline",NA,"C1=CC2=C(C=CN=N2)C(=C1)[N+](=O)[O-]","CPVUBWULXBRCAQ-UHFFFAOYSA-N",387102,NA,"PDBC26813","680493","Present",NA,NA
+"26814","5-Nitrofurylmalonic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitrofurylmalonic acid diethyl ester",NA,"CCOC(=O)C(C1=CC=C(O1)[N+](=O)[O-])C(=O)OCC","WWWZGRQUXUBKDS-UHFFFAOYSA-N",370288,NA,"PDBC26814","643139","Present",NA,NA
+"26815","5-Nitroisoquinolin-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-37066",NA,"C1=CC2=C(C=CN=C2N)C(=C1)[N+](=O)[O-]","SRYUOKQAZJCHNX-UHFFFAOYSA-N",386442,NA,"PDBC26815","678410","Present",NA,NA
+"26816","5-Nitroso-2-phenyl-4,6-pyrimidinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Nitroso-2-phenyl-4,6-pyrimidinediamine",NA,"C1=CC=C(C=C1)C2=NC(=C(C(=N2)N)N=O)N","BECPHSCHRNDJSB-UHFFFAOYSA-N",229087,NA,"PDBC26816","22492","Present",NA,NA
+"26817","5-Nitrosotropolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RCH 108",NA,"C1=CC(=O)C(=CC=C1N=O)O","FYTNKOSUJSUKML-UHFFFAOYSA-N",16807,NA,"PDBC26817","53101","Present",NA,NA
+"26818","5-Nitrospiro[benzimidazole-2,1'-cyclohexane] 1,3-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK837885",NA,"C1CCC2(CC1)N(C3=C([N+]2=O)C=CC(=C3)[N+](=O)[O-])[O-]","AUYXGRJVKAVYEZ-UHFFFAOYSA-N",379403,NA,"PDBC26818","663945","Present",NA,NA
+"26819","5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C2=CC=CC=C2[N+](=O)[O-])C(=O)OC(C)C","HKDRAGVOKUHTFA-UHFFFAOYSA-N",382119,NA,"PDBC26819","669512","Present",NA,NA
+"26820","5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C","INQDEGAFKNEOHH-UHFFFAOYSA-N",382122,NA,"PDBC26820","669515","Present",NA,NA
+"26821","5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-(1,3-Dinitrooxypropan-2-yl) 3-O-propan-2-yl 2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(CO[N+](=O)[O-])CO[N+](=O)[O-])C2=CC=CC=C2C(F)(F)F)C(=O)OC(C)C","WNRRBZBUCDCTFP-UHFFFAOYSA-N",382116,NA,"PDBC26821","669509","Present",NA,NA
+"26822","5-O-Benzyl 1-O-methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-Benzyl 1-O-methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C(C3C4C2(CCC4CN3C(=O)OCC5=CC=CC=C5)C(=O)OC)C6=CC=CO6","LMRPPJHTEMLHNA-VAZOZHDGSA-N",401758,NA,"PDBC26822","715488","Present",NA,NA
+"26823","5-O-Benzyl 1-O-methyl (1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-Benzyl 1-O-methyl (1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,5-dicarboxylate",NA,"COC(=O)C12CCC3C1C(C(N2)C4=CC=CC=C4)N(C3)C(=O)OCC5=CC=CC=C5","ZEKVLBLTTVYEIN-ROLQDKDTSA-N",401756,NA,"PDBC26823","715486","Present",NA,NA
+"26824","5-O-Benzyl 1-O-methyl 3-O-(2-trimethylsilylethyl) (1S,3R,4R,7R,10S)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,3,5-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-Benzyl 1-O-methyl 3-O-(2-trimethylsilylethyl) (1S,3R,4R,7R,10S)-2-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1,3,5-tricarboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C(C3C4C2(CCC4CN3C(=O)OCC5=CC=CC=C5)C(=O)OC)C(=O)OCC[Si](C)(C)C","SICXILQJPSVDQZ-PRIXWLSHSA-N",401759,NA,"PDBC26824","715489","Present",NA,NA
+"26825","5-O-Methyl 1,3,4-tetrakis(p-tolyl)-7-thiabicyclo[2.2.1]hept-en-5-carb oxylate S-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-Methyl 1,2,3,4-tetrakis(p-tolyl)-7-thiabicyclo[2.2.1...",NA,"CC1=CC=C(C=C1)C2=C(C3(C(CC2(S3=O)C4=CC=C(C=C4)C)C(=O)OC)C5=CC=C(C=C5)C)C6=CC=C(C=C6)C","SUUHTUUSDRWXBW-UHFFFAOYSA-N",24205269,NA,"PDBC26825","734875","Present",NA,NA
+"26826","5-O-Methyl 2,4-diphenyl-7-oxobicyclo[2.2.1]hept-2-ene-5,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-O-Methyl 2,3-Bis(p-anisyl)-1,4-diphenyl-7-oxobicyclo[2...",NA,"COC1=CC=C(C=C1)C2=C(C3(C(C(C2(C3=O)C4=CC=CC=C4)C(=O)O)C(=O)OC)C5=CC=CC=C5)C6=CC=C(C=C6)OC","BMRFFRLVQHWZQA-UHFFFAOYSA-N",24205204,NA,"PDBC26826","734599","Present",NA,NA
+"26827","5-Oxa-8-thiaspiro[3.4]octane-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxa-8-thiaspiro[3.4]octane-2-carbonitrile",NA,"C1CSC2(O1)CC(C2)C#N","KOJQBTJIEPIWHG-UHFFFAOYSA-N",363700,NA,"PDBC26827","628815","Present",NA,NA
+"26828","5-Oxido-6-phenylquinolino[4,3-b]quinoxalin-5-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxido-6-phenylquinolino[4,3-b]quinoxalin-5-ium",NA,"C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3C4=NC5=CC=CC=C5N=C42)[O-]","DIIGJFPJBOJUOU-UHFFFAOYSA-N",467007,NA,"PDBC26828","643439","Present",NA,NA
+"26829","5-Oxo-1,2-dihydrospiro[1-benzazocine-6(5H),2'-[1,3]dioxolane]-1-carboxylic acid tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl (3'Z)-5'-oxospiro[1,3-dioxolane-2,6'-2H-1-benzazocine]-1'-carboxylate",NA,"CC(C)(C)OC(=O)N1CC=CC(=O)C2(C3=CC=CC=C31)OCCO2","FGIBCDXJXHEMSJ-TWGQIWQCSA-N",5471993,NA,"PDBC26829","715803","Present",NA,NA
+"26830","5-Oxo-1-(phenylsulfonyl)-2-pyrrolidinecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxo-1-(phenylsulfonyl)-2-pyrrolidinecarbohydrazide",NA,"C1CC(=O)N(C1C(=O)NN)S(=O)(=O)C2=CC=CC=C2","TWTGJAXHMXRHLZ-UHFFFAOYSA-N",370899,NA,"PDBC26830","644634","Present",NA,NA
+"26831","5-Oxo-1-[2-(2,4,5-trichlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxo-1-[2-(2,4,5-trichlorophenoxy)acetyl]pyrrolidine-2-carboxylic acid",NA,"C1CC(=O)N(C1C(=O)O)C(=O)COC2=CC(=C(C=C2Cl)Cl)Cl","HSCZFFQXGSYZNB-UHFFFAOYSA-N",367290,NA,"PDBC26831","636838","Present",NA,NA
+"26832","5-Oxo-1H-imidazo[1,2-a]pyrimidine-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carboxylic acid",NA,"C1=CN2C(=O)C(=CN=C2N1)C(=O)O","DTXAFRQZYWEOTI-UHFFFAOYSA-N",377284,NA,"PDBC26832","658537","Present",NA,NA
+"26833","5-Oxo-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxo-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalene-1-carboxylic acid",NA,"C1CC2=CC3=C(CCC3C(=O)O)C=C2C(=O)C1","PQHBNWIRMTXQRX-UHFFFAOYSA-N",380773,NA,"PDBC26833","666483","Present",NA,NA
+"26834","5-Oxo-2,5-dihydro-1H-pyrazole-3-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxo-1,2-dihydropyrazole-3-carbohydrazide",NA,"C1=C(NNC1=O)C(=O)NN","PWSVEASVCVGZOP-UHFFFAOYSA-N",387076,NA,"PDBC26834","680466","Present",NA,NA
+"26835","5-Oxo-5-(1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinolin-6-yl)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxo-5-(1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinolin-6-yl)pentanoic acid",NA,"COC1=CC2=CC3=C4C(=CC(=C(C4=C2C=C1OC)OC)OC)CCN3C(=O)CCCC(=O)O","NBQBKQUTUYIBKR-UHFFFAOYSA-N",374226,NA,"PDBC26835","651716","Present",NA,NA
+"26836","5-Oxo-5-[[[1,4-dioxo-3-(4-methoxyanilino)-1,4-dihydronaphthalen]-2-yl]amino]pentanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-({3-[(4-methoxyphenyl)amino]-1,4-dioxo-1,4-dihydronaphthalen-2-yl}amino)-5-oxopentanoate",NA,"COC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)CCCC(=O)OC","ZNZFKMZARSPJHS-UHFFFAOYSA-N",382883,NA,"PDBC26836","670760","Present",NA,NA
+"26837","5-Oxo-5-[[[1,4-dioxo-3-(benzylamino)-1,4-dihydronaphthalen]-2-yl]amino]pentanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-{[3-(benzylamino)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]amino}-5-oxopentanoate",NA,"COC(=O)CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=CC=C3","RPRMFTBLDONUBD-UHFFFAOYSA-N",382879,NA,"PDBC26837","670756","Present",NA,NA
+"26838","5-Oxo-5-[[[1,4-dioxo-3-anilino-1,4-dihydronaphthalen]-2-yl]amino]pentanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-{[1,4-dioxo-3-(phenylamino)-1,4-dihydronaphthalen-2-yl]amino}-5-oxopentanoate",NA,"COC(=O)CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC3=CC=CC=C3","XUCJQFOCPANOLH-UHFFFAOYSA-N",382881,NA,"PDBC26838","670758","Present",NA,NA
+"26839","5-Oxo-7H-benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_006997",NA,"C1=CC=C2C(=C1)C(=O)C(=C3N2C4=CC=CC=C4N3)C#N","MFUDWLYZGFUXJX-UHFFFAOYSA-N",391671,NA,"PDBC26839","691213","Present",NA,NA
+"26840","5-Oxospiro[1,2-dihydro-1,2,4-triazine-6,9'-fluorene]-3-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Oxospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-3-sulfonic acid",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)S(=O)(=O)O","HQRUTGWZIQKPRF-UHFFFAOYSA-N",135409127,NA,"PDBC26840","658722","Present",NA,NA
+"26841","5-Pentadecyl-1,2-dihydro-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Pentadecyl-1,2-dihydro-1,2,4-triazole-3-thione",NA,"CCCCCCCCCCCCCCCC1=NC(=S)NN1","ACQQIHOEBHDCOE-UHFFFAOYSA-N",3624429,NA,"PDBC26841","635565","Present",NA,NA
+"26842","5-Pentyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Pentyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione",NA,"CCCCCN1C2=CC=CC=C2C3=C(C1=O)C(=O)NN3","GHDDKDOMDBFAJB-UHFFFAOYSA-N",385049,NA,"PDBC26842","675970","Present",NA,NA
+"26843","5-Phenoxysulfonyl-1-methyl-4-nitroimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenoxysulfonyl-1-methyl-4-nitroimidazole",NA,"CN1C=NC(=C1S(=O)(=O)OC2=CC=CC=C2)[N+](=O)[O-]","UFAZASYMNCMYTC-UHFFFAOYSA-N",81400,NA,"PDBC26843","38087","Present",NA,NA
+"26844","5-Phenyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-1,2,3,5-tetrahydroimidazo(2,1-b)quinazolin-5-ol",NA,"C1CN2C(=N1)NC3=CC=CC=C3C2(C4=CC=CC=C4)O","FBGWKMHLBSARIC-UHFFFAOYSA-N",336607,NA,"PDBC26844","351520","Present",NA,NA
+"26845","5-Phenyl-1,3-dihydropyrido[3,4-e][1,4]diazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[Phenyl]-1H-pyrido[3,4-e]-1,4-diazepin-2(3H)-one",NA,"C1C(=O)NC2=C(C=CN=C2)C(=N1)C3=CC=CC=C3","YJDPDOHWYXRWEN-UHFFFAOYSA-N",360115,NA,"PDBC26845","621969","Present",NA,NA
+"26846","5-Phenyl-2,3-bis(2-thienyl)furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-2,3-di(2-thienyl)furan",NA,"C1=CC=C(C=C1)C2=CC(=C(O2)C3=CC=CS3)C4=CC=CS4","LNKIZXQZOYPFPS-UHFFFAOYSA-N",395547,NA,"PDBC26846","700240","Present",NA,NA
+"26847","5-Phenyl-2,3-bis(2-thienyl)thiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-2,3-bis(2-thienyl)thiophene",NA,"C1=CC=C(C=C1)C2=CC(=C(S2)C3=CC=CS3)C4=CC=CS4","QAEJTKNMMHNLBM-UHFFFAOYSA-N",395510,NA,"PDBC26847","700200","Present",NA,NA
+"26848","5-Phenyl-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-2-((2-phenylethyl)thio)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-4-amine",NA,"C1CCC2=C(C1)C(=C3C(=NC(=NC3=N2)SCCC4=CC=CC=C4)N)C5=CC=CC=C5","ZUIVWQMKWJPJCN-UHFFFAOYSA-N",381059,NA,"PDBC26848","667078","Present",NA,NA
+"26849","5-Phenyl-2-(2-thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-2-(2-thienyl)[1,3]oxazolo[5,4-d]pyrimidin-7-amine",NA,"C1=CC=C(C=C1)C2=NC(=C3C(=N2)OC(=N3)C4=CC=CS4)N","SPZRUBDZNFFCEI-UHFFFAOYSA-N",387392,NA,"PDBC26849","681140","Present",NA,NA
+"26850","5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline",NA,"C1CC2C(NC3=CC=CC=C3C2OC1)C4=CC=CC=C4","NNBCJSIAXXSBNX-UHFFFAOYSA-N",371501,NA,"PDBC26850","645796","Present",NA,NA
+"26851","5-Phenyl-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-3-(3,4,5-trimethoxyphenyl)-1H-imidazol-2-one",NA,"COC1=CC(=CC(=C1OC)OC)N2C=C(NC2=O)C3=CC=CC=C3","JDTMXEQWBKIDGP-UHFFFAOYSA-N",44446870,NA,"PDBC26851","740260","Present",NA,NA
+"26852","5-Phenyl-4-(2-thenyl)-2,2'-bithiophene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-4-(2-thenyl)-2,2'-bithiophene",NA,"C1=CC=C(C=C1)C2=C(C=C(S2)C3=CC=CS3)CC4=CC=CS4","RUTBNKNZOYSBDT-UHFFFAOYSA-N",377738,NA,"PDBC26852","659330","Present",NA,NA
+"26853","5-Phenyl-4-pyridin-4-yl-2,4-dihydro-3H-1,2,4-triazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-phenyl-4-(4-pyridyl)-1H-1,2,4-triazol-5-one",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2C3=CC=NC=C3","SJHIDWOHWZAHQG-UHFFFAOYSA-N",386148,NA,"PDBC26853","677780","Present",NA,NA
+"26854","5-Phenylbenzo[b]phosphindole 5-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenyl-5H-dibenzophosphole-5-one",NA,"C1=CC=C(C=C1)P2(=O)C3=CC=CC=C3C4=CC=CC=C24","MCHMCXFNGTUSDI-UHFFFAOYSA-N",380789,NA,"PDBC26854","666500","Present",NA,NA
+"26855","5-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine",NA,"C1=CC=C(C=C1)C2=C3C(=NC(=NC3=NC=C2)N)N","HSVIGADIDMZKHT-UHFFFAOYSA-N",386758,NA,"PDBC26855","679437","Present",NA,NA
+"26856","5-Phenylpyrrolo[2,3-d]pyrimidine-3,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Phenylpyrrolo[2,3-d]pyrimidine-3,4-diamine",NA,"C1=CC=C(C=C1)C2=CNC3=C2C(=N)N(C=N3)N","RWDQEQFNGFWGCD-UHFFFAOYSA-N",135489886,NA,"PDBC26856","690960","Present",NA,NA
+"26857","5-Piperidino-5H-[1]benzopyrano[4,3-d]pyrimidine-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Piperidyl)-5h-chromeno[4,3-d]pyrimidin-2-amine",NA,"C1CCN(CC1)C2C3=CN=C(N=C3C4=CC=CC=C4O2)N","OKSNODVNMLYPCC-UHFFFAOYSA-N",390589,NA,"PDBC26857","688112","Present",NA,NA
+"26858","5-Propyl-5a,10,11-triaza-5aH-benzo[b]fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[1',2':1,2]pyrimido[4,5-b]indole, 12-propyl",NA,"CCCC1=C2C3=CC=CC=C3N=C2N=C4N1C=CC=C4","UYZUAUHFKWVRAB-UHFFFAOYSA-N",405263,NA,"PDBC26858","722416","Present",NA,NA
+"26859","5-Pyridin-2-yl-8-thia-4,6-diazatricyclo[7.6.0.02,7]pentadeca-1(9),2(7),5-trien-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-pyridyl)-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno...",NA,"C1CCCC2=C(CC1)C3=C(S2)N=C(NC3=O)C4=CC=CC=N4","NHSUAHWEMKDLEX-UHFFFAOYSA-N",72196543,NA,"PDBC26859","764308","Present",NA,NA
+"26860","5-Pyrimidinecaboxamide,2,3,4-tetrahydro-4-hydroxy-1,3-dimethyl-N-(4-nitrophenyl)-6-oxo-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Pyrimidinecaboxamide, 1,2,3,4-tetrahydro-4-hydroxy-1,3...",NA,"CN1C(=C(C(=O)N(C1=S)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])O","JHCMQNWSXOHQDS-UHFFFAOYSA-N",371516,NA,"PDBC26860","645838","Present",NA,NA
+"26861","5-Pyrimidinecarboxamide, 1,2,3,4-tetrahydro-2,4-dioxo-1-pentofuranosyl-N-[(phenylmethoxy)carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638131///NSC638205",NA,"C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","PRGIJTPURRNUSX-UHFFFAOYSA-N",367932,NA,"PDBC26861","638131///638205","Present",NA,NA
+"26862","5-Pyrimidinecarboxamide, 1-(2-deoxy-4-C-methylpentofuranosyl)-1,2,3,4-tetrahydro-2,4-dioxo-N-[(phenylmethoxy)carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-[4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,"CC1(C(CC(O1)N2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC3=CC=CC=C3)O)CO","OCTMTLLSBABYGR-UHFFFAOYSA-N",368289,NA,"PDBC26862","638797","Present",NA,NA
+"26863","5-Pyrimidinecarboxamide, N-(4-chlorophenyl)-4-[(2E)-2-[(4-chlorophenyl)methylene]hydrazino]-2-hydroxy-6-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine-5-carboxamide, N-(4-chlorophenyl)-4- [2-[(4-c...",NA,"CC1=C(C(=NC(=O)N1)NN=CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","NWOXODRDGLSXDB-LSHDLFTRSA-N",5351359,NA,"PDBC26863","624947","Present",NA,NA
+"26864","5-Pyrimidinemethanol, alpha,alpha-bis(4-chlorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.,.alpha.-bis(4-chlorophenyl)-5-pyrimidine methanol",NA,"C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl","CSRYTZCLFTYZLS-UHFFFAOYSA-N",161536,NA,"PDBC26864","626916","Present",NA,NA
+"26865","5-Pyrrolizino-5H-[1]benzopyrano[4,3-d]pyrimidine-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Pyrrolidin-1-yl)-5h-chromeno[4,3-d]pyrimidin-2-amine",NA,"C1CCN(C1)C2C3=CN=C(N=C3C4=CC=CC=C4O2)N","LBOVMKZIZZCQRO-UHFFFAOYSA-N",390588,NA,"PDBC26865","688111","Present",NA,NA
+"26866","5-Quinolinesulfonic acid,7'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)iminocarbonyl]]bis[8-hydroxy-, tetrasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Quinolinesulfonic acid, 7,7'-[1,2-ethenediylbis[(3-sul...",NA,"C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC(=O)C5=CC(=C6C=CC=NC6=C5O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","AIOHJNVWCPIYGW-IPZCTEOASA-N",54604788,NA,"PDBC26866","665534","Present",NA,NA
+"26867","5-Sulfanylidene-1,2-dihydrotriazole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Sulfanyl-1H-triazole-4-carboxylic acid",NA,"C1(=NNNC1=S)C(=O)O","GNCPNAQCXHPXOX-UHFFFAOYSA-N",3005251,NA,"PDBC26867","686662","Present",NA,NA
+"26868","5-Tert-Butyl-2-(2,5-dichlorophenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(2,5-dichlorophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=C(C=CC(=C6)Cl)Cl","PLFMCAYPEZANFN-UHFFFAOYSA-N",381767,NA,"PDBC26868","668839","Present",NA,NA
+"26869","5-Tert-Butyl-2-(2-(4-tert-butyl-2-(formylamino)phenoxy)ethoxy)phenylformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-Butyl-2-(2-(4-tert-butyl-2-(formylamino)phenoxy)ethoxy)phenylformamide",NA,"CC(C)(C)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C(C)(C)C)NC=O)NC=O","FTPBBJXJZJXDIG-UHFFFAOYSA-N",394579,NA,"PDBC26869","698148","Present",NA,NA
+"26870","5-Tert-Butyl-2-(3-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-Butyl-2-(3-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione",NA,"CC(C)(C)C1=CC2=C(C=C1)C3=C(C4=C2C(=O)N(C4=O)C5=CC(=CC=C5)OC)NC6=CC=CC=C63","NJRCHKGEXBFROF-UHFFFAOYSA-N",371261,NA,"PDBC26870","645320","Present",NA,NA
+"26871","5-Tert-Butyl-2-(4-(methylthio)phenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-methylsulfanylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)SC","DNFXNYBDPGDEQY-UHFFFAOYSA-N",373638,NA,"PDBC26871","650358","Present",NA,NA
+"26872","5-Tert-Butyl-2-(4-chlorophenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657021///NSC663668",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)Cl","ABGJUPJVFXHECK-UHFFFAOYSA-N",376306,NA,"PDBC26872","657021///663668","Present",NA,NA
+"26873","5-Tert-Butyl-2-(4-methoxyphenyl)-10-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-methoxyphenyl)-17-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC1=CC2=C(C=C1)C3=C(N2)C4C(C5C3CCC(C5)C(C)(C)C)C(=O)N(C4=O)C6=CC=C(C=C6)OC","VPHKEKRMCHXCGE-UHFFFAOYSA-N",379242,NA,"PDBC26873","663656","Present",NA,NA
+"26874","5-Tert-Butyl-2-(4-methoxyphenyl)-11-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-methoxyphenyl)-18-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1=C2C(=CC=C1)C3=C(N2)C4C(C5C3CCC(C5)C(C)(C)C)C(=O)N(C4=O)C6=CC=C(C=C6)OC","NDBYGEVBXBDENB-UHFFFAOYSA-N",379243,NA,"PDBC26874","663657","Present",NA,NA
+"26875","5-Tert-Butyl-2-(4-methoxyphenyl)-8-methyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-methoxyphenyl)-15-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1=C2C(=CC=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C(C)(C)C","FQLOPFUUMZGWND-UHFFFAOYSA-N",379241,NA,"PDBC26875","663655","Present",NA,NA
+"26876","5-Tert-Butyl-2-(4-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-Butyl-2-(4-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione",NA,"CC(C)(C)C1=CC2=C(C=C1)C3=C(C4=C2C(=O)N(C4=O)C5=CC=C(C=C5)OC)NC6=CC=CC=C63","SVDIGSMCZMBMAH-UHFFFAOYSA-N",371262,NA,"PDBC26876","645321","Present",NA,NA
+"26877","5-Tert-Butyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","WWCLAAVZIAXYMC-UHFFFAOYSA-N",362449,NA,"PDBC26877","626396","Present",NA,NA
+"26878","5-Tert-Butyl-2-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[e]pyrido[2,3-b]pyrrolo[3,4-g]indole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-phenyl-4,18,20-triazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)N=CC=C5)C(=O)N(C3=O)C6=CC=CC=C6","TYFAMNBKTXUXJU-UHFFFAOYSA-N",373639,NA,"PDBC26878","650359","Present",NA,NA
+"26879","5-Tert-Butyl-3-(phenylthio)-2(5H)-furanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AP-782/41885282",NA,"CC(C)(C)C1C=C(C(=O)O1)SC2=CC=CC=C2","VMWPFAJHZPXAMW-UHFFFAOYSA-N",369519,NA,"PDBC26879","641316","Present",NA,NA
+"26880","5-Tert-Butyl-8-chloro-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-15-chloro-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC=C5Cl)C(=O)N(C3=O)C6=CC=C(C=C6)OC","LRGUPHYTUFAZBY-UHFFFAOYSA-N",390921,NA,"PDBC26880","689142","Present",NA,NA
+"26881","5-Tert-Butyl-9-fluoro-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-16-fluoro-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)F)C(=O)N(C3=O)C6=CC=C(C=C6)OC","YDHGTGZAIIQBKD-UHFFFAOYSA-N",379244,NA,"PDBC26881","663658","Present",NA,NA
+"26882","5-Tert-Butyl-9-methoxy-2-(4-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-Butyl-9-methoxy-2-(4-methoxyphenyl)benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione",NA,"CC(C)(C)C1=CC2=C(C=C1)C3=C(C4=C2C(=O)N(C4=O)C5=CC=C(C=C5)OC)NC6=C3C=C(C=C6)OC","SMQXLJIANBDNHF-UHFFFAOYSA-N",375748,NA,"PDBC26882","655895","Present",NA,NA
+"26883","5-Tert-Butyl-9-methoxy-2-phenylbenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-Butyl-9-methoxy-2-phenylbenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,12H)-dione",NA,"CC(C)(C)C1=CC2=C(C=C1)C3=C(C4=C2C(=O)N(C4=O)C5=CC=CC=C5)NC6=C3C=C(C=C6)OC","HTXJGLIHGZQHNL-UHFFFAOYSA-N",371268,NA,"PDBC26883","645327","Present",NA,NA
+"26884","5-Tert-Butyl-9-methyl-2-(3-methylphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-16-methyl-4-(3-methylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC1=CC(=CC=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)C)C(C)(C)C","MTHHWUGXPJQOQS-UHFFFAOYSA-N",397882,NA,"PDBC26884","706738","Present",NA,NA
+"26885","5-Tert-Butyl-9-methyl-2-(4-methylphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-16-methyl-4-(4-methylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)C)C(C)(C)C","AYUFRKFEPGDKKZ-UHFFFAOYSA-N",397880,NA,"PDBC26885","706736","Present",NA,NA
+"26886","5-Tert-Butyl-9-methyl-2-(4-phenoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-16-methyl-4-(4-phenoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC7=CC=CC=C7)C(C)(C)C","JWSLJRLYRJFSCH-UHFFFAOYSA-N",397881,NA,"PDBC26886","706737","Present",NA,NA
+"26887","5-Tert-butyl-2-[(2-carboxyphenyl)-phenylmethyl]benzene-1,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-butyl-2-[(2-carboxyphenyl)-phenylmethyl]benzene-1,3-dicarboxylic acid",NA,"CC(C)(C)C1=CC(=C(C(=C1)C(=O)O)C(C2=CC=CC=C2)C3=CC=CC=C3C(=O)O)C(=O)O","JEWWOOJCHFASBC-UHFFFAOYSA-N",357633,NA,"PDBC26887","617157","Present",NA,NA
+"26888","5-Tert-butyl-2-[2-[2-(4-tert-butyl-2-sulfamoylphenoxy)ethoxy]ethoxy]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-[Oxybis(ethane-2,1-diyloxy)]bis(5-tert-butylbenzenesulfonamide)",NA,"CC(C)(C)C1=CC(=C(C=C1)OCCOCCOC2=C(C=C(C=C2)C(C)(C)C)S(=O)(=O)N)S(=O)(=O)N","HWGLNJSEEGWWIQ-UHFFFAOYSA-N",360743,NA,"PDBC26888","623082","Present",NA,NA
+"26889","5-Tert-butyl-2-[2-[2-[2-[4-tert-butyl-2-[(4-methylphenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]ethoxy]-N-(4-methylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-butyl-2-[2-[2-[2-[4-tert-butyl-2-[(4-methylphenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]ethoxy]-N-(4-methylphenyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(C)(C)C)OCCOCCOCCOC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)NC4=CC=C(C=C4)C","RIQQKEZOAODIFP-UHFFFAOYSA-N",360746,NA,"PDBC26889","623085","Present",NA,NA
+"26890","5-Tert-butyl-2-[2-[2-[4-tert-butyl-2-[(4-nitrophenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]-N-(4-nitrophenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-butyl-2-[2-[2-[4-tert-butyl-2-[(4-nitrophenyl)sulfamoyl]phenoxy]ethoxy]ethoxy]-N-(4-nitrophenyl)benzenesulfonamide",NA,"CC(C)(C)C1=CC(=C(C=C1)OCCOCCOC2=C(C=C(C=C2)C(C)(C)C)S(=O)(=O)NC3=CC=C(C=C3)[N+](=O)[O-])S(=O)(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","OKJVJMASCLRMSJ-UHFFFAOYSA-N",360745,NA,"PDBC26890","623084","Present",NA,NA
+"26891","5-Tert-butyl-2-[2-[4-tert-butyl-2-[(2-methoxyphenyl)sulfamoyl]phenoxy]ethoxy]-N-(2-methoxyphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-butyl-2-[2-[4-tert-butyl-2-[(2-methoxyphenyl)sulfamoyl]phenoxy]ethoxy]-N-(2-methoxyphenyl)benzenesulfonamide",NA,"CC(C)(C)C1=CC(=C(C=C1)OCCOC2=C(C=C(C=C2)C(C)(C)C)S(=O)(=O)NC3=CC=CC=C3OC)S(=O)(=O)NC4=CC=CC=C4OC","MVFWNSZYCDCFKX-UHFFFAOYSA-N",360744,NA,"PDBC26891","623083","Present",NA,NA
+"26892","5-Tert-butyl-2-methylsulfonyl-1,3-bis(prop-1-en-2-yl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-butyl-2-methylsulfonyl-1,3-bis(prop-1-en-2-yl)benzene",NA,"CC(=C)C1=CC(=CC(=C1S(=O)(=O)C)C(=C)C)C(C)(C)C","ZVQBSYFDVLCYRE-UHFFFAOYSA-N",358623,NA,"PDBC26892","618631","Present",NA,NA
+"26893","5-Tert-butyl-2-phenylcyclohexyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC122608",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2CC(CCC2C3=CC=CC=C3)C(C)(C)C","MONPOCASPAGPNP-UHFFFAOYSA-N",420294,NA,"PDBC26893","122608","Present",NA,NA
+"26894","5-Tert-butyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Tert-butyl-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaene-4,6-dione",NA,"CC(C)(C)N1C(=O)N2CC3=CC=CC4=C3C(=CC=C4)CN2C1=O","MKDKENCGNNFLNB-UHFFFAOYSA-N",391924,NA,"PDBC26894","691604","Present",NA,NA
+"26895","5-Thiazolebutanamide, 2-(aminothioxomethyl)-N-1H-benzimidazol-2-yl-4-methyl-alpha,gamma-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Thiazolebutanamide, 2-(aminothioxomethyl)-N-1H-benzimidazol-2-yl-4-methyl-alpha,gamma-dioxo-",NA,"CC1=C(SC(=N1)C(=S)N)C(=O)CC(=O)C(=O)NC2=NC3=CC=CC=C3N2","DQIWPMIVMJNDEG-UHFFFAOYSA-N",3001921,NA,"PDBC26895","648596","Present",NA,NA
+"26896","5-Thiazolebutanamide, 2-[[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-ethoxyphenyl)-4-methyl-alpha,gamma-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[[5-(3,4-Dichlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-4-methyl-1,3-thiazol-5-yl]-N-(2-ethoxyphenyl)-2,4-dioxobutanamide",NA,"CCOC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)NC3=NN=C(O3)C4=CC(=C(C=C4)Cl)Cl)C","QFXDYDVJPDBBEO-UHFFFAOYSA-N",371975,NA,"PDBC26896","646789","Present",NA,NA
+"26897","5-Thiazolecarboxylic acid, 2,3-dihydro-2-oxo-3-phenyl-4-[(phenylmethyl)thio]-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Thiazolecarboxylic acid, 2,3-dihydro-2-oxo-3-phenyl-4-[(phenylmethyl)thio]-, methyl ester",NA,"COC(=O)C1=C(N(C(=O)S1)C2=CC=CC=C2)SCC3=CC=CC=C3","IUQNCJVLGFPLNG-UHFFFAOYSA-N",372573,NA,"PDBC26897","647935","Present",NA,NA
+"26898","5-Thien-2-yl-2,7-trithioxo-1,2,3,4,7,8-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Thien-2-yl-2,4,7-trithioxo-1,2,3,4,7,8-hexahydropyrido...",NA,"C1=CSC(=C1)C2=C(C(=S)NC3=C2C(=S)NC(=S)N3)C#N","BYVVMOWUKICQMQ-UHFFFAOYSA-N",24203812,NA,"PDBC26898","729671","Present",NA,NA
+"26899","5-Trifluoromethyl-2-(4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Trifluoromethyl-2-(4-hydroxyphenyl)benzothiazole",NA,"C1=CC(=CC=C1C2=NC3=C(S2)C=CC(=C3)C(F)(F)F)O","JFDRLDCIZJRMON-UHFFFAOYSA-N",404999,NA,"PDBC26899","721653","Present",NA,NA
+"26900","5-Trimethylsilyloxyspiro[8,9-dihydro-7H-benzo[7]annulene-6,1'-cyclopentane]-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Trimethylsilyloxyspiro[8,9-dihydro-7H-benzo[7]annulene-6,1'-cyclopentane]-5-carbonitrile",NA,"C[Si](C)(C)OC1(C2=CC=CC=C2CCCC13CCCC3)C#N","QGLQXCVSWJAOQF-UHFFFAOYSA-N",402685,NA,"PDBC26900","716871","Present",NA,NA
+"26901","5-Undecyl-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AOD100770",NA,"CCCCCCCCCCCC1=NN=C(O1)N","YEJPDPZLHKSBPB-UHFFFAOYSA-N",360698,NA,"PDBC26901","623034","Present",NA,NA
+"26902","5-[(1R,2R)-2-(4-Chlorophenyl)cyclopropyl]-3-methylsulfanyl-1,2-oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(1R,2R)-2-(4-Chlorophenyl)cyclopropyl]-3-methylsulfanyl-1,2-oxazole",NA,"CSC1=NOC(=C1)C2CC2C3=CC=C(C=C3)Cl","YPGCUULTGXDYBG-WDEREUQCSA-N",24203243,NA,"PDBC26902","727288","Present",NA,NA
+"26903","5-[(2,2-Dimethyl-1,3-dioxolan-4-yl)-hydroxy-methyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2,2-Dimethyl-1,3-dioxolan-4-yl)-hydroxy-methyl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde",NA,"CC1(OCC(O1)C(C2C(OC(O2)(C)C)C=O)O)C","VSAVRERYWZDSQR-UHFFFAOYSA-N",390830,NA,"PDBC26903","688888","Present",NA,NA
+"26904","5-[(2,4-Dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2,4-Dichlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione",NA,"COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=NN(C3=S)CN4CCOCC4)COC5=C(C=C(C=C5)Cl)Cl)[N+](=O)[O-]","RTMIMNFMDGUCTF-IPPBACCNSA-N",9572714,NA,"PDBC26904","724652","Present",NA,NA
+"26905","5-[(2,4-Dichlorophenyl)methyl]-2-hydroxybenzo[b]carbazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Dichlorobenzyl)-2-hydroxy-5h-benzo[b]carbazole-6,11-dione",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N(C4=C3C=C(C=C4)O)CC5=C(C=C(C=C5)Cl)Cl","YFVWMDSMNVQAIJ-UHFFFAOYSA-N",403882,NA,"PDBC26905","719415","Present",NA,NA
+"26906","5-[(2-Chloroanilino)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-5'-(2-chloro-phenylaminomethylene-barbituri...",NA,"CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2Cl)O","UHBLCNVLAUQRIK-UHFFFAOYSA-N",387471,NA,"PDBC26906","681275","Present",NA,NA
+"26907","5-[(2-Chloroanilino)methylene]-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diphenyl-5-(2-chloro-phenylaminomethylene-barbituric...",NA,"C1=CC=C(C=C1)N2C(=C(C(=O)N(C2=O)C3=CC=CC=C3)C=NC4=CC=CC=C4Cl)O","URUHCOGMJIOZFO-UHFFFAOYSA-N",387472,NA,"PDBC26907","681276","Present",NA,NA
+"26908","5-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione",NA,"CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)N=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl","GUSWDCBTAXNDPT-FJEPWZHXSA-N",9572367,NA,"PDBC26908","713297","Present",NA,NA
+"26909","5-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2-Chlorophenoxy)methyl]-4-[(E)-[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylideneamino]-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione",NA,"COC1=CC(=C(C=C1)C2=CC=C(O2)C=NN3C(=NN(C3=S)CN4CCOCC4)COC5=CC=CC=C5Cl)[N+](=O)[O-]","FYHZVIVKPJMWKY-RWPZCVJISA-N",9572713,NA,"PDBC26909","724651","Present",NA,NA
+"26910","5-[(2-Methyl-1,3-dioxolan-2-yl)methyl]-6-[2-(4-nitrophenyl)-1,3-dioxolan-2-yl]-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2-Methyl-1,3-dioxolan-2-yl)methyl]-6-[2-(4-nitrophenyl)-1,3-dioxolan-2-yl]-1,3-benzodioxole",NA,"CC1(OCCO1)CC2=CC3=C(C=C2C4(OCCO4)C5=CC=C(C=C5)[N+](=O)[O-])OCO3","MHSDUEGZXLXRDG-UHFFFAOYSA-N",404208,NA,"PDBC26910","720375","Present",NA,NA
+"26911","5-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methylamino]pentan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2-Phenylmethoxynaphtho[2,1-f][1,3]benzodioxol-5-yl)methylamino]pentan-1-ol",NA,"C1OC2=CC3=CC(=C4C=CC(=CC4=C3C=C2O1)OCC5=CC=CC=C5)CNCCCCCO","RJBQPKUQNKMUQU-UHFFFAOYSA-N",24205690,NA,"PDBC26911","736386","Present",NA,NA
+"26912","5-[(2E)-2-[(2,4-Dichlorophenyl)methylidene]hydrazinyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2E)-2-[(2,4-Dichlorophenyl)methylidene]hydrazinyl]-4,6-dinitro-1,3-dihydrobenzimidazol-2-one",NA,"C1=CC(=C(C=C1Cl)Cl)C=NNC2=C(C=C3C(=C2[N+](=O)[O-])NC(=O)N3)[N+](=O)[O-]","RYDRUOYKIQTZLU-YAXRCOADSA-N",9572562,NA,"PDBC26912","720250","Present",NA,NA
+"26913","5-[(2E)-2-[(4-Nitrophenyl)methylene]hydrazino]thiadiazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2E)-2-[(4-Nitrophenyl)methylene]hydrazino]thiadiazole-4-carboxamide",NA,"C1=CC(=CC=C1C=NNC2=C(N=NS2)C(=O)N)[N+](=O)[O-]","GLYVDWJMBGCALU-LFYBBSHMSA-N",9571607,NA,"PDBC26913","686652","Present",NA,NA
+"26914","5-[(3,4-Dimethoxyphenyl)sulfanylmethyl]-1,2,3-trimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(((3,4-Dimethoxyphenyl)thio)methyl)-1,2,3-trimethoxybenzene",NA,"COC1=C(C=C(C=C1)SCC2=CC(=C(C(=C2)OC)OC)OC)OC","BXNSQDHDQJLOBU-UHFFFAOYSA-N",384140,NA,"PDBC26914","673427","Present",NA,NA
+"26915","5-[(3,5-Dimethoxyphenyl)methyl]-1-[(dimethylamino)methyl]-2-hydroxybenzo[b]carbazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,5-Dimethoxybenzyl)-1-[(dimethylamino)methyl]-2-hydroxy-5h-benzo[b]carbazole-6,11-dione",NA,"CN(C)CC1=C(C=CC2=C1C3=C(N2CC4=CC(=CC(=C4)OC)OC)C(=O)C5=CC=CC=C5C3=O)O","AFWUHDKGNJUUKF-UHFFFAOYSA-N",404062,NA,"PDBC26915","720180","Present",NA,NA
+"26916","5-[(3,5-Dimethoxyphenyl)methyl]-2-hydroxy-11H-benzo[b]carbazol-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,5-Dimethoxybenzyl)-2-hydroxy-5,11-dihydro-6h-benzo[b]carbazol-6-one",NA,"COC1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4)OC","MUIBLGSPNZETMK-UHFFFAOYSA-N",403878,NA,"PDBC26916","719411","Present",NA,NA
+"26917","5-[(3,5-Dimethoxyphenyl)methyl]-2-hydroxybenzo[b]carbazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3,5-Dimethoxybenzyl)-2-hydroxy-5h-benzo[b]carbazole-6,11-dione",NA,"COC1=CC(=CC(=C1)CN2C3=C(C=C(C=C3)O)C4=C2C(=O)C5=CC=CC=C5C4=O)OC","MMBISHYCNXJJKU-UHFFFAOYSA-N",404489,NA,"PDBC26917","720725","Present",NA,NA
+"26918","5-[(3,5-Dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(3,5-Dimethoxyphenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxamide",NA,"CN(C)CCNC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC(=CC(=C4)OC)OC)C(=O)C5=CC=CC=C5C3=O)O","ZRZVXPWVWQBEGS-UHFFFAOYSA-N",404303,NA,"PDBC26918","720485","Present",NA,NA
+"26919","5-[(3-Carboxy-4-hydroxyphenyl)methyl]-2-hydroxybenzoic acid;(1,4,5,6,7,7-hexachloro-2-bicyclo[2.2.1]hept-5-enyl)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 3,3'-methylenebis(6-hydroxy-, compd. with ...",NA,"C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CN.C1=CC(=C(C=C1CC2=CC(=C(C=C2)O)C(=O)O)C(=O)O)O","DHPTXSLYOSXGAH-UHFFFAOYSA-N",431216,NA,"PDBC26919","290555","Present",NA,NA
+"26920","5-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-5-oxo-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(3-Ethyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-5-oxo-pentanoic acid",NA,"CCC1=NNC(=O)N1NC(=O)CCCC(=O)O","URNZIYXDNHZALG-UHFFFAOYSA-N",387563,NA,"PDBC26920","681520","Present",NA,NA
+"26921","5-[(3-Hydroxy)benzyliden]-2(4methoxy)phenylimino-3-propyl-4-thyazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(3-hydroxy)benzyliden]-2(4methoxy)phenylimino-3-propy...",NA,"CCCN1C(=O)C(=CC2=CC(=CC=C2)O)SC1=NC3=CC=C(C=C3)OC","ZSSHFRLJLVZHAR-JEFZPDFESA-N",24204244,NA,"PDBC26921","731060","Present",NA,NA
+"26922","5-[(3-Hydroxy)benzyliden]-2-phenylimino-3-propyl-4-thyazolid inone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(3-hydroxy)benzyliden]-2-phenylimino-3-propyl-4-thyaz...",NA,"CCCN1C(=O)C(=CC2=CC(=CC=C2)O)SC1=NC3=CC=CC=C3","TZQMIGQPNFNXRK-KLAKZEAMSA-N",24204243,NA,"PDBC26922","731059","Present",NA,NA
+"26923","5-[(3-Hydroxy-4-methoxyphenyl)ethynyl]-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(3-hydroxy-4-methoxyphenyl)ethynyl]-6-(3,4,5-trimetho...",NA,"COC1=C(C=C(C=C1)C#CC2=C(OC(=O)C=C2)C3=CC(=C(C(=C3)OC)OC)OC)O","MCQOKPBDVYAKPY-UHFFFAOYSA-N",45028148,NA,"PDBC26923","741289","Present",NA,NA
+"26924","5-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-N-ethyl-1,3,4-thiadiazol-2-amine",NA,"CCNC1=NN=C(S1)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","ZMCMNDMPLLCEJQ-UHFFFAOYSA-N",373860,NA,"PDBC26924","650823","Present",NA,NA
+"26925","5-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4,5-Diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-N-phenyl-1,3,4-thiadiazol-2-amine",NA,"C1=CC=C(C=C1)C2=C(N=C(N2)SCC3=NN=C(S3)NC4=CC=CC=C4)C5=CC=CC=C5","KODBGUVBMZBTOK-UHFFFAOYSA-N",373861,NA,"PDBC26925","650824","Present",NA,NA
+"26926","5-[(4,6-Dimethoxypyrimidin-2-yl)amino]benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4,6-Dimethoxypyrimidin-2-yl)amino]benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,"COC1=CC(=NC(=N1)NC2=C(C3=NC4=CC=CC=C4N3C5=CC=CC=C52)C#N)OC","PHLMRPAWBLWAKK-UHFFFAOYSA-N",392511,NA,"PDBC26926","693028","Present",NA,NA
+"26927","5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(2-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(2-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine",NA,"C1=CC=NC=C1.C1=CC=C(C(=C1)C(C2C(=O)NC(=S)NC2=O)C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]","YYXWQXDXHCAGKU-UHFFFAOYSA-N",54611487,NA,"PDBC26927","705857","Present",NA,NA
+"26928","5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(4-hydroxyphenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine",NA,"C1=CC=NC=C1.C1=CC(=CC=C1C(C2C(=O)NC(=S)NC2=O)C3C(=O)NC(=S)NC3=O)O","AQQYCDFANFYHJD-UHFFFAOYSA-N",54611433,NA,"PDBC26928","705856","Present",NA,NA
+"26929","5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-(4-nitrophenyl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine",NA,"C1=CC=NC=C1.C1=CC(=CC=C1C(C2C(=O)NC(=S)NC2=O)C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]","NZDZBDVXPDTGNX-UHFFFAOYSA-N",12043463,NA,"PDBC26929","705853","Present",NA,NA
+"26930","5-[(4-Bromophenyl)methoxymethyl]-7-(pyrrolidin-1-ylmethyl)quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(((4-bromobenzyl)oxy)methyl)-7-(pyrrolidin-1-ylmethyl)...",NA,"C1CCN(C1)CC2=CC(=C3C=CC=NC3=C2O)COCC4=CC=C(C=C4)Br","ACJDLQAFDLDHQY-UHFFFAOYSA-N",155813493,NA,"PDBC26930","782182","Present",NA,NA
+"26931","5-[(4-Chloro-3-methylphenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Chloro-3-methylphenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione",NA,"CC1=C(C=CC(=C1)OCC2=NN(C(=S)N2N=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl)CN5CCN(CC5)C)Cl","ZBNBYGOMIPZQBJ-IBBHUPRXSA-N",9572369,NA,"PDBC26931","713299","Present",NA,NA
+"26932","5-[(4-Chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Chlorophenoxy)methyl]-4-[(E)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-[(4-methylpiperazin-1-yl)methyl]-1,2,4-triazole-3-thione",NA,"CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=C(C=C3)Cl)N=CC4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl","ZLGUDHXWPMHDTE-FJEPWZHXSA-N",9572368,NA,"PDBC26932","713298","Present",NA,NA
+"26933","5-[(4-Chlorophenyl)-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione;pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Chlorophenyl)-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione;pyridine",NA,"C1=CC=NC=C1.C1=CC(=CC=C1C(C2C(=O)NC(=O)NC2=O)C3C(=O)NC(=O)NC3=O)Cl","GPYZPZVVNUDMKX-UHFFFAOYSA-N",54611431,NA,"PDBC26933","705852","Present",NA,NA
+"26934","5-[(4-Chlorophenyl)-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Chlorophenyl)-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methyl]-2-sulfanylidene-1,3-diazinane-4,6-dione;pyridine",NA,"C1=CC=NC=C1.C1=CC(=CC=C1C(C2C(=O)NC(=S)NC2=O)C3C(=O)NC(=S)NC3=O)Cl","PVYLMWQMXSXISR-UHFFFAOYSA-N",54611432,NA,"PDBC26934","705855","Present",NA,NA
+"26935","5-[(4-Chlorophenyl)diazenyl]-10-thia-3,6,8-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,7,11(16)-tetraen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(p-Chlorophenyl)diazo-2-oxoimidazolo[2,3-b]pyrimido[4,...",NA,"C1CCC2=C(C1)C3=C(S2)N=CN4C3=NC(=O)C4N=NC5=CC=C(C=C5)Cl","QZZUUFBUPSOBCX-UHFFFAOYSA-N",405901,NA,"PDBC26935","723582","Present",NA,NA
+"26936","5-[(4-Chlorophenyl)diazenyl]-4-ethoxy-6-methylpyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Chlorophenyl)diazenyl]-4-ethoxy-6-methylpyrimidin-2-amine",NA,"CCOC1=NC(=NC(=C1N=NC2=CC=C(C=C2)Cl)C)N","HXXYFQXBRTZKDQ-UHFFFAOYSA-N",339620,NA,"PDBC26936","367077","Present",NA,NA
+"26937","5-[(4-Ethylphenyl)methylene]-2-thioxo-4-thiazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10058-F4",NA,"CCC1=CC=C(C=C1)C=C2C(=O)NC(=S)S2","SVXDHPADAXBMFB-JXMROGBWSA-N",1271002,NA,"PDBC26937","764582","Present",NA,NA
+"26938","5-[(4-Fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide",NA,"C1=CC(=CC=C1F)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","OFBTYCUOHYFQFF-UHFFFAOYSA-N",394906,NA,"PDBC26938","698999","Present",NA,NA
+"26939","5-[(4-Hydroxyphenyl)sulfanylmethyl]benzene-1,2,3-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FSXNHDWBUCJUII-UHFFFAOYSA-N",NA,"C1=CC(=CC=C1O)SCC2=CC(=C(C(=C2)O)O)O","FSXNHDWBUCJUII-UHFFFAOYSA-N",384139,NA,"PDBC26939","673426","Present",NA,NA
+"26940","5-[(4-Methylpiperazin-1-yl)methyl]-N-phenylthiophene-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Methylpiperazin-1-yl)methyl]-N-phenylthiophene-2-carbothioamide",NA,"CN1CCN(CC1)CC2=CC=C(S2)C(=S)NC3=CC=CC=C3","LWMUKSLYFIPUDO-UHFFFAOYSA-N",5471266,NA,"PDBC26940","710023","Present",NA,NA
+"26941","5-[(4-Morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 5-[[4-(4-morpholinyl)-1-piperdinyl]methyl]-",NA,"C1CN(CCC1N2CCOCC2)CC3=C4C=CC=NC4=C(C=C3)O","ICBBQBKDKLHLBH-UHFFFAOYSA-N",155811880,NA,"PDBC26941","782204","Present",NA,NA
+"26942","5-[(4-Nitroanilino)methylene]-1,3-diphenyl-hexahydropyrimidine-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diphenyl-5-(4-nitro-phenylaminomethylene-barbituric ...",NA,"C1=CC=C(C=C1)N2C(=C(C(=O)N(C2=O)C3=CC=CC=C3)C=NC4=CC=C(C=C4)[N+](=O)[O-])O","XPHISYZMDNJZMY-UHFFFAOYSA-N",387457,NA,"PDBC26942","681263","Present",NA,NA
+"26943","5-[(4-Nitrobenzoyl)amino]-4,5-dihydrothiadiazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Nitrobenzoyl)amino]-4,5-dihydrothiadiazole-4-carboxamide",NA,"C1=CC(=CC=C1C(=O)NC2C(N=NS2)C(=O)N)[N+](=O)[O-]","AKIMPIXQEHVDAG-UHFFFAOYSA-N",388581,NA,"PDBC26943","683593","Present",NA,NA
+"26944","5-[(4-Nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Nitrophenyl)methyl]-7-[(4-nitrophenyl)methylsulfanyl]imidazo[4,5-d]pyridazine",NA,"C1=CC(=CC=C1CN2C=C3C(=NC=N3)C(=N2)SCC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","ZQWMMOGZRVXEEP-UHFFFAOYSA-N",391411,NA,"PDBC26944","690584","Present",NA,NA
+"26945","5-[(4-Nitrophenyl)sulfanylamino]-1,3,4-thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Nitrophenyl)sulfanylamino]-1,3,4-thiadiazole-2-sulfonamide",NA,"C1=CC(=CC=C1[N+](=O)[O-])SNC2=NN=C(S2)S(=O)(=O)N","VAHPWRVYNIKKPL-UHFFFAOYSA-N",394903,NA,"PDBC26945","698995","Present",NA,NA
+"26946","5-[(4-Nitrophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Nitrophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide",NA,"C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","UZKSIVGPWQRGOU-UHFFFAOYSA-N",395817,NA,"PDBC26946","700709","Present",NA,NA
+"26947","5-[(4-Piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 5-[[1,4'-bipiperidin]-1'-ylmethyl]-",NA,"C1CCN(CC1)C2CCN(CC2)CC3=C4C=CC=NC4=C(C=C3)O","ZBBMPAGCDSBVGS-UHFFFAOYSA-N",155815038,NA,"PDBC26947","782968","Present",NA,NA
+"26948","5-[(4-Tert-butylphenoxy)carbonylamino]-2-hydroxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Compound D14",NA,"CC(C)(C)C1=CC=C(C=C1)OC(=O)NC2=CC(=C(C=C2)O)C(=O)O","QDDQSSZZYNCVHC-UHFFFAOYSA-N",308963,NA,"PDBC26948","211094","Present",NA,NA
+"26949","5-[(4-Trifluoromethylthio)benzyliden]-2(4-methoxy)phenylimin o-3-propyl-4-thyazolidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-trifluoromethylthio)benzyliden]-2(4-methoxy)phenyl...",NA,"CCCN1C(=O)C(=CC2=CC=C(C=C2)SC(F)(F)F)SC1=NC3=CC=C(C=C3)OC","WJVLSYCEOYWKJO-IVTJCWFQSA-N",24204241,NA,"PDBC26949","731057","Present",NA,NA
+"26950","5-[(5-Bromo-6-chloro-2-methylsulfanylpyrimidin-4-yl)amino]-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-{[5-Bromo-6-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}pyrimidine-2,4(1h,3h)-dione",NA,"CSC1=NC(=C(C(=N1)Cl)Br)NC2=CNC(=O)NC2=O","CEQJPHHLURECQL-UHFFFAOYSA-N",244944,NA,"PDBC26950","56287","Present",NA,NA
+"26951","5-[(5-Cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(5-Cyano-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carbonitrile",NA,"C1CCN(C1)C2=C(C(=C(C(=O)N2)C(C3=C(C=CC=C3Cl)Cl)C4=C(C(=C(NC4=O)N5CCCC5)C#N)O)O)C#N","KLWKUWVYNNDWFF-UHFFFAOYSA-N",54695414,NA,"PDBC26951","722825","Present",NA,NA
+"26952","5-[(5-Cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(5-Cyano-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(2,6-dichlorophenyl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carbonitrile",NA,"C1COCCN1C2=C(C(=C(C(=O)N2)C(C3=C(C=CC=C3Cl)Cl)C4=C(C(=C(NC4=O)N5CCOCC5)C#N)O)O)C#N","WVQGNGAQKNBFBG-UHFFFAOYSA-N",54689426,NA,"PDBC26952","722812","Present",NA,NA
+"26953","5-[(5S,8Ar)-5-(4-fluoroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(5S,8Ar)-5-(4-fluoroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione",NA,"COC1=CC(=CC(=O)C1=O)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F","VGQRFTLSIZXTJW-DTFIVFDZSA-N",369957,NA,"PDBC26953","642324","Present",NA,NA
+"26954","5-[(5S,8Ar)-5-(4-nitroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(5S,8Ar)-5-(4-nitroanilino)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-3-methoxycyclohexa-3,5-diene-1,2-dione",NA,"COC1=CC(=CC(=O)C1=O)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-]","BARQMCBVQOGZQU-DTFIVFDZSA-N",369955,NA,"PDBC26954","642322","Present",NA,NA
+"26955","5-[(6-Amino-5-nitropyrimidin-4-yl)amino]-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(6-Amino-5-nitropyrimidin-4-yl)amino]-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol;hydrochloride",NA,"C1=C(C(C(C1NC2=NC=NC(=C2[N+](=O)[O-])N)O)O)CO.Cl","UUHHPQYAOSPVBG-UHFFFAOYSA-N",370152,NA,"PDBC26955","642829","Present",NA,NA
+"26956","5-[(6-Chloroimidazo[2,1-b]thiazol-5-yl)methylene]thiazolidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(6-Chloroimidazo[2,1-b]thiazol-5-yl)methylene]thiazolidine-2,4-dione",NA,"C1=CSC2=NC(=C(N21)C=C3C(=O)NC(=O)S3)Cl","QQAUYTVDPPGSCV-HYXAFXHYSA-N",5473183,NA,"PDBC26956","724358","Present",NA,NA
+"26957","5-[(8-Hydroxyquinolin-5-yl)methyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 5,5'-methylenebis-",NA,"C1=CC2=C(C=CC(=C2N=C1)O)CC3=C4C=CC=NC4=C(C=C3)O","FKGLQHRCVKTDFC-UHFFFAOYSA-N",761547,NA,"PDBC26957","782965","Present",NA,NA
+"26958","5-[(9-Bromo-9H-fluoren-2-yl)imino]furan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acrylic acid, 3-[N-(9-bromofluoren-2-yl)-1-hydroxyformim...",NA,"C1=CC=C2C3=C(C=C(C=C3)N=C4C=CC(=O)O4)C(C2=C1)Br","PIDZTHONYVXGQW-UHFFFAOYSA-N",247050,NA,"PDBC26958","60832","Present",NA,NA
+"26959","5-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-3H-1,3,4-oxadiazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(9-Bromoindolo[3,2-b]quinoxalin-6-yl)methyl]-3H-1,3,4-oxadiazole-2-thione",NA,"C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)CC5=NNC(=S)O5","BQVVLENGRZMDJC-UHFFFAOYSA-N",3005419,NA,"PDBC26959","698982","Present",NA,NA
+"26960","5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Dimethylamino)methyl]-2-octylcyclopent-2-en-1-one;hydrochloride",NA,"CCCCCCCCC1=CCC(C1=O)CN(C)C.Cl","IYUUWHBPURSVMX-UHFFFAOYSA-N",362665,NA,"PDBC26960","626877","Present",NA,NA
+"26961","5-[(E)-(2-Hydroxy-1-naphthyl)azo]-2-[(E)-2-[4-[(E)-(2-hydroxy-1-naphthyl)azo]-2-sulfo-phenyl]vinyl]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2-Hydroxynaphthalen-1-yl)diazenyl]-2-[(E)-2-[4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=NC5=C(C=CC6=CC=CC=C65)O)S(=O)(=O)O)S(=O)(=O)O)O","ITHIYCYVWVTJNE-YSYJPELISA-N",135421922,NA,"PDBC26961","34930","Present",NA,NA
+"26962","5-[(E)-(4-Chlorophenyl)azo]-4-methyl-6-phenyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Chlorophenyl)diazenyl]-4-methyl-6-phenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4C(C(C(C(O4)CO)O)O)O)C#N","QHTZOUDAGYKECO-UHFFFAOYSA-N",381301,NA,"PDBC26962","667738","Present",NA,NA
+"26963","5-[(E)-(4-Methoxyphenyl)azo]-4-methyl-6-phenyl-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(4-Methoxyphenyl)diazenyl]-4-methyl-6-phenyl-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)OC)C3=CC=CC=C3)C4C(C(C(C(O4)CO)O)O)O)C#N","GBUGBWQTPTUOGS-UHFFFAOYSA-N",381300,NA,"PDBC26963","667737","Present",NA,NA
+"26964","5-[(E)-(Benzylamino)azo]-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-(Benzylamino)azo]-1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione",NA,"C1=CC=C(C=C1)CN=NNC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","MNMWZPRCWVDILM-UHFFFAOYSA-N",370565,NA,"PDBC26964","643791","Present",NA,NA
+"26965","5-[(E)-(Dimethylhydrazono)methyl]-1,3-dimethyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-(Dimethylhydrazono)methyl]-1,3-dimethyl-pyrimidine-2,4-dione",NA,"CN1C=C(C(=O)N(C1=O)C)C=NN(C)C","IKVFGRISLNCCDO-BJMVGYQFSA-N",9556298,NA,"PDBC26965","686406","Present",NA,NA
+"26966","5-[(E)-2-(3-Methyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]quinolin-8-ol;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-2-(3-Methyl-1,3-benzoselenazol-3-ium-2-yl)ethenyl]quinolin-8-ol;iodide",NA,"C[N+]1=C([Se]C2=CC=CC=C21)C=CC3=C4C=CC=NC4=C(C=C3)O.[I-]","KKUUBLFKYBRSPH-UHFFFAOYSA-N",135488972,NA,"PDBC26966","86374","Present",NA,NA
+"26967","5-[(E)-2-(4-Bromophenyl)ethenyl]-1,2,3-trimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(4-Bromophenyl)Ethenyl]-1,2,3-Trimethoxy Benzene",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)Br","UBBBWYGKBDCYDY-SNAWJCMRSA-N",5388062,NA,"PDBC26967","631362","Present",NA,NA
+"26968","5-[(E)-2-[(7R,8Ar,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]ethenyl]-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-2-[(7R,8Ar,10aR)-7-hydroxy-4-methoxy-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5H-xanthen-2-yl]ethenyl]-2-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dienyl]benzene-1,3-diol",NA,"CC(=CCC1=C(C=C(C=C1O)C=CC2=CC3=C(C(=C2)OC)OC4(CCC(C(C4C3)(C)C)O)C)O)CCC=C(C)CO","MCYIQAGFDHUBHQ-SCHXCMLESA-N",24204369,NA,"PDBC26968","731589","Present",NA,NA
+"26969","5-[(E)-3-(3,4-Dimethoxyphenyl)prop-2-enoyl]-2,4-dimethoxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 5-[3-(3,4-dimethoxyphenyl)-1-oxo-2-propeny...",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C=C2OC)OC)C(=O)O)OC","LFBDNVSOAVIRDC-FNORWQNLSA-N",5935200,NA,"PDBC26969","295572","Present",NA,NA
+"26970","5-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]-2-methyl-6-phenyl-4-pyrrolidin-1-yl-pyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridazin-3(2H)-one, 5-[3-(4-chlorophenyl)-1-oxo-2-prope...",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl)N4CCCC4","GUUJTTWRKAEVNS-SDNWHVSQSA-N",6380585,NA,"PDBC26970","633104","Present",NA,NA
+"26971","5-[(E)-3-(4-Nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-3-(4-Nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"C1=CC(=CC=C1C=CC=C2C(=O)NC(=S)NC2=O)[N+](=O)[O-]","ASHTWBZQBQOVFH-OWOJBTEDSA-N",5938458,NA,"PDBC26971","684565","Present",NA,NA
+"26972","5-[(E)-3-Oxo-5-phenyl-pent-4-enyl]hexahydropyrimidine-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-3-Oxo-5-phenyl-pent-4-enyl]hexahydropyrimidine-2,4,6-trione",NA,"C1=CC=C(C=C1)C=CC(=O)CCC2C(=O)NC(=O)NC2=O","MOWHELJQHRTZST-VOTSOKGWSA-N",5467271,NA,"PDBC26972","649575","Present",NA,NA
+"26973","5-[(E)-3-[4-(Diethylamino)phenyl]prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-3-[4-(Diethylamino)phenyl]prop-2-enylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"CCN1C(=O)C(=CC=CC2=CC=C(C=C2)N(CC)CC)C(=O)N(C1=S)CC","CQMQPWOPDADRPR-MDZDMXLPSA-N",5938461,NA,"PDBC26973","684568","Present",NA,NA
+"26974","5-[(E)-4-(4-Chlorophenyl)sulfanylpent-2-enyl]-6-methyl-1,2,4-triazin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-4-(4-Chlorophenyl)sulfanylpent-2-enyl]-6-methyl-1,2,4-triazin-3-amine",NA,"CC1=C(N=C(N=N1)N)CC=CC(C)SC2=CC=C(C=C2)Cl","ODIXICUMZZBYQR-ONEGZZNKSA-N",6414927,NA,"PDBC26974","698023","Present",NA,NA
+"26975","5-[(E)-Dimethylaminoazo]-1,3-dihydrobenzimidazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-Dimethylaminoazo]-1,3-dihydrobenzimidazol-2-one",NA,"CN(C)N=NC1=CC2=C(C=C1)NC(=O)N2","NRRTWQIEQWKPCR-UHFFFAOYSA-N",388858,NA,"PDBC26975","684052","Present",NA,NA
+"26976","5-[(E)-Styryl]tetrahydrofuran-2,3,4-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-Styryl]tetrahydrofuran-2,3,4-trione",NA,"C1=CC=C(C=C1)C=CC2C(=O)C(=O)C(=O)O2","OPHIATAEBWQGEF-VOTSOKGWSA-N",5906551,NA,"PDBC26976","642644","Present",NA,NA
+"26977","5-[(E)-[(8-Hydroxyquinolin-2-yl)hydrazinylidene]methyl]-7-(morpholin-4-ylmethyl)quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Quinolinecarboxaldehyde, 8-hydroxy-7-(4-morpholinyl-me...",NA,"C1COCCN1CC2=CC(=C3C=CC=NC3=C2O)C=NNC4=NC5=C(C=CC=C5O)C=C4","DOZCBFMWNWUULK-VULFUBBASA-N",155808735,NA,"PDBC26977","781666","Present",NA,NA
+"26978","5-[(E)-[(8-Hydroxyquinolin-2-yl)hydrazinylidene]methyl]-7-(piperidin-1-ylmethyl)quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Quinolinecarboxaldehyde, 8-hydroxy-7-(1-piperidinyl-me...",NA,"C1CCN(CC1)CC2=CC(=C3C=CC=NC3=C2O)C=NNC4=NC5=C(C=CC=C5O)C=C4","NJUXKBYXWJEBPK-JFLMPSFJSA-N",155816857,NA,"PDBC26978","781667","Present",NA,NA
+"26979","5-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-thiazole-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-1,3-thiazole-2-carbonitrile",NA,"C1=CC(=CC=C1C=NC2=CN=C(S2)C#N)N(CCCl)CCCl","QCLYSNBFASOOKB-VXLYETTFSA-N",9568291,NA,"PDBC26979","83343","Present",NA,NA
+"26980","5-[(E)-[Amino(methyl)amino]azo]-1H-imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-4-carboxamide, 5-(3-methyl-1-tetrazenyl)-",NA,"CN(N)N=NC1=C(NC=N1)C(=O)N","XWFIERMHXBDFMK-ZHACJKMWSA-N",135493930,NA,"PDBC26980","684047","Present",NA,NA
+"26981","5-[(Z)-(Phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Z)-(Phenylhydrazinylidene)methyl]-1H-pyrimidine-2,4-dione",NA,"C1=CC=C(C=C1)NN=CC2=CNC(=O)NC2=O","KUCAEENKTLDCGM-QPEQYQDCSA-N",135455281,NA,"PDBC26981","521586","Present",NA,NA
+"26982","5-[(Z)-1-(Benzenesulfonylmethyl)-2-nitro-vinyl]-6-(methoxymethyl)-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Z)-1-(Benzenesulfonylmethyl)-2-nitro-vinyl]-6-(methoxymethyl)-1,3-benzodioxole",NA,"COCC1=CC2=C(C=C1C(=C[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3)OCO2","UNGOOENBGBQCRL-NTEUORMPSA-N",3005427,NA,"PDBC26982","699765","Present",NA,NA
+"26983","5-[(Z)-1-Chloro-2-phenyl-vinyl]-6-nitro-1-oxido-2-phenyl-indol-1-ium-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Z)-1-Chloro-2-phenyl-vinyl]-6-nitro-1-oxido-2-phenyl-indol-1-ium-3-one",NA,"C1=CC=C(C=C1)C=C(C2=C(C=C3C(=C2)C(=O)C(=[N+]3[O-])C4=CC=CC=C4)[N+](=O)[O-])Cl","TZHAJWKTJJMASZ-WQRHYEAKSA-N",5704789,NA,"PDBC26983","626402","Present",NA,NA
+"26984","5-[(Z)-2-(2,4-Dinitrophenyl)ethenyl]-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Z)-2-(2,4-Dinitrophenyl)ethenyl]-1,3-benzodioxole",NA,"C1OC2=C(O1)C=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","JZKCYSOYDHMFHQ-IWQZZHSRSA-N",54612568,NA,"PDBC26984","406159","Present",NA,NA
+"26985","5-[(Z)-2-(4-Bromophenyl)ethenyl]-1,2,3-trimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z) 4-Bromo-3',4',5'-Trimethoxystilbene",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)Br","UBBBWYGKBDCYDY-PLNGDYQASA-N",5388768,NA,"PDBC26985","638486","Present",NA,NA
+"26986","5-[(Z)-2-(4-Chlorophenyl)ethenyl]-1,2,3-trimethoxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z) 4-Chloro-3',4',5'-trimethoxystilbene",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=C(C=C2)Cl","PRZBYQFRFYZXBQ-PLNGDYQASA-N",5388770,NA,"PDBC26986","638488","Present",NA,NA
+"26987","5-[(Z)-2-Nitroethenyl]-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T56 BO DO CHJ G1U1NW",NA,"C1OC2=C(O1)C=C(C=C2)C=C[N+](=O)[O-]","KFLWBZPSJQPRDD-ARJAWSKDSA-N",5354438,NA,"PDBC26987","10120","Present",NA,NA
+"26988","5-[(Z)-Hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Z)-Hydroxyiminomethyl]-3-[(E)-hydroxyiminomethyl]benzene-1,2-diol",NA,"C1=C(C=C(C(=C1C=NO)O)O)C=NO","RVXQVCZJDDAKEE-INWPEIIHSA-N",135436317,NA,"PDBC26988","718158","Present",NA,NA
+"26989","5-[(Z)-Indol-3-ylidenemethyl]-2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-imidazol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Z)-Indol-3-ylidenemethyl]-2-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-1H-imidazol-4-ol",NA,"C1=CC=C2C(=C1)C(=CN2)C=NNC3=NC(=C(N3)C=C4C=NC5=CC=CC=C54)O","UUNCPUJFZDFYCK-FEOLEBOXSA-N",135505205,NA,"PDBC26989","704858","Present",NA,NA
+"26990","5-[(Z)-Methoxyiminomethyl]-3-[(E)-methoxyiminomethyl]benzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Z)-Methoxyiminomethyl]-3-[(E)-methoxyiminomethyl]benzene-1,2-diol",NA,"CON=CC1=CC(=C(C(=C1)O)O)C=NOC","QGQUOAQUIIXRDC-JTAXDKCCSA-N",135436318,NA,"PDBC26990","718159","Present",NA,NA
+"26991","5-[(Z)-[5-[(E)-(5-Imino-3,3-dimethyloxolan-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-ylidene]methyl]-2,4,4-trimethyl-3H-pyrrole-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Z)-[5-[(E)-(5-Imino-3,3-dimethyloxolan-2-ylidene)methyl]-4,4-dimethyl-3H-pyrrol-2-ylidene]methyl]-2,4,4-trimethyl-3H-pyrrole-2-carbonitrile",NA,"CC1(CC(=N)OC1=CC2=NC(=CC3=NC(CC3(C)C)(C)C#N)CC2(C)C)C","AJVGWXNMFPWICK-YAZRYWJLSA-N",5471911,NA,"PDBC26991","715334","Present",NA,NA
+"26992","5-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]-1,3-diazinane-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1,3-Bis(4-chlorophenyl)-3-oxopropyl]pyrimidine-2,4,6(1h,3h,5h)-trione",NA,"C1=CC(=CC=C1C(CC(=O)C2=CC=C(C=C2)Cl)C3C(=O)NC(=O)NC3=O)Cl","SOYXGXZLGYRUPI-UHFFFAOYSA-N",405076,NA,"PDBC26992","721957","Present",NA,NA
+"26993","5-[1,3-Dithian-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1,3-Dithian-2-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxole",NA,"COC1=CC(=CC(=C1OC)OC)C(C2SCCCS2)C3=CC4=C(C=C3)OCO4","ODTWEHBQUGQFIU-UHFFFAOYSA-N",388764,NA,"PDBC26993","683842","Present",NA,NA
+"26994","5-[1-(4-Chlorophenyl)-1H-tetraazol-5-yl]-2-(1-pyrrolidinyl)-4-(trifluoromethyl)pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-(4-Chloro-phenyl)-1H-tetrazol-5-yl]-2-pyrrolidin-1-...",NA,"C1CCN(C1)C2=NC=C(C(=N2)C(F)(F)F)C3=NN=NN3C4=CC=C(C=C4)Cl","ITEQRTWMTYJAIE-UHFFFAOYSA-N",7285296,NA,"PDBC26994","735173","Present",NA,NA
+"26995","5-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-3H-1,3,4-oxadiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-(4-Chlorophenyl)-4-hydroxy-pyrazol-3-yl]-3H-1,3,4-oxadiazol-2-one",NA,"C1=CC(=CC=C1N2C=C(C(=N2)C3=NNC(=O)O3)O)Cl","DBMMPJBBLWSENN-UHFFFAOYSA-N",406746,NA,"PDBC26995","725026","Present",NA,NA
+"26996","5-[1-(4-Chlorophenyl)cyclopentyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-(4-Chlorophenyl)cyclopentyl]-2,3-dihydroimidazo[1,2-b]isoindol-5-ol",NA,"C1CCC(C1)(C2=CC=C(C=C2)Cl)C3(C4=CC=CC=C4C5=NCCN53)O","MQDPHNCOCOWZEF-UHFFFAOYSA-N",399397,NA,"PDBC26996","710118","Present",NA,NA
+"26997","5-[1-(4-Dimethylaminophenyl)propyl]-2-thioxo-imidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-(4-(Dimethylamino)phenyl)propyl)-2-thioxo-4-imidazolidinone",NA,"CCC(C1C(=O)NC(=S)N1)C2=CC=C(C=C2)N(C)C","HYQPBFIAYWLAFH-UHFFFAOYSA-N",3005232,NA,"PDBC26997","684387","Present",NA,NA
+"26998","5-[1-(4-Methylphenyl)-3-oxo-3-phenylpropyl]-1,3-diazinane-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-(4-Methylphenyl)-3-oxo-3-phenylpropyl]pyrimidine-2,4,6(1h,3h,5h)-trione",NA,"CC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3C(=O)NC(=O)NC3=O","IXCWWLSMQKGKGP-UHFFFAOYSA-N",405086,NA,"PDBC26998","721967","Present",NA,NA
+"26999","5-[1-(p-Tolylsulfonyl)aziridin-2-yl]pentanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-(p-Tolylsulfonyl)aziridin-2-yl]pentanal",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC2CCCCC=O","GSJXLMQTTRDRTE-UHFFFAOYSA-N",390158,NA,"PDBC26999","687303","Present",NA,NA
+"27000","5-[1-[[2-Acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-[[2-Acetamido-3-[4-[[4-chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]propanoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide",NA,"CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-])NC(=O)C","YIRPLGKUOHBEPW-UHFFFAOYSA-N",404849,NA,"PDBC27000","721393","Present",NA,NA
+"27001","5-[1-[[2-[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]acetyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-[[2-[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxyphenyl]acetyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide",NA,"CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)CC3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-]","NDVKODCCKFJFSA-UHFFFAOYSA-N",404850,NA,"PDBC27001","721394","Present",NA,NA
+"27002","5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(1,4-dioxonaphthalen-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(1,4-dioxonaphthalen-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide",NA,"CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC(=O)C5=CC=CC=C5C4=O","KEOOLQDMCOPPKK-UHFFFAOYSA-N",404848,NA,"PDBC27002","721392","Present",NA,NA
+"27003","5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-[[4-[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]oxybenzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide",NA,"CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)OP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-]","LERQMDBSXNYVEM-UHFFFAOYSA-N",404847,NA,"PDBC27003","721391","Present",NA,NA
+"27004","5-[1-[[4-[[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]benzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[1-[[4-[[[4-Chlorobutyl(methyl)amino]-[(5-nitrofuran-2-yl)methoxy]phosphoryl]amino]benzoyl]amino]ethyl]-2-(cyclohexylmethoxy)benzamide",NA,"CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)C3=CC=C(C=C3)NP(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-]","OJNQUVKHPHNWLC-UHFFFAOYSA-N",404851,NA,"PDBC27004","721395","Present",NA,NA
+"27005","5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-N-hexyl-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(2,5-Dihydroxy-phenyl)-ethyl]-N-hexyl-2-hydroxy-benzamide",NA,"CCCCCCNC(=O)C1=C(C=CC(=C1)CCC2=C(C=CC(=C2)O)O)O","GTQFMNGGLLWWNL-UHFFFAOYSA-N",402189,NA,"PDBC27005","716056","Present",NA,NA
+"27006","5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-2-hydroxy-N-phenethyl-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-2-hydroxy-N-phenethyl-benzamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)C=CC3=C(C=CC(=C3)O)O)O","BHRNYLHLXSOKRR-SOFGYWHQSA-N",5472032,NA,"PDBC27006","716054","Present",NA,NA
+"27007","5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-[2-(4-fluoro-phenyl)-ethyl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(2,5-Dihydroxy-phenyl)-vinyl]-N-[2-(4-fluoro-phenyl)-ethyl]-2-hydroxy-benzamide",NA,"C1=CC(=CC=C1CCNC(=O)C2=C(C=CC(=C2)C=CC3=C(C=CC(=C3)O)O)O)F","UVITVCIUDMGGEQ-ORCRQEGFSA-N",5472033,NA,"PDBC27007","716055","Present",NA,NA
+"27008","5-[2-(2,5-Dimethoxy-phenyl)-acetyl]-N-[2-(4-fluoro-phenyl)-ethyl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(2,5-dimethoxyphenyl)acetyl]-2-hydroxyphenyl]-~N-[2...",NA,"COC1=CC(=C(C=C1)OC)CC(=O)C2=CC(=C(C=C2)O)C(=O)NCCC3=CC=C(C=C3)F","PFUICXQINROWGD-UHFFFAOYSA-N",402948,NA,"PDBC27008","717356","Present",NA,NA
+"27009","5-[2-(2-Diethylaminomethyl-piperidin-1-yl)-acetyl]-4-methyl-1,3,4,5-tetrahydro-benzo[b][1,4]diazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[2-(Diethylaminomethyl)-1-piperidyl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CCN(CC)CC1CCCCN1CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C","CNAPNWNCRWDJDE-UHFFFAOYSA-N",377481,NA,"PDBC27009","658949","Present",NA,NA
+"27010","5-[2-(2-Hydroxyethylamino)ethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-10-[2-(2-hydroxyethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"C1=CC2=C(C=C1O)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO","DMWBKWZMHBLROH-UHFFFAOYSA-N",438555,NA,"PDBC27010","645829","Present",NA,NA
+"27011","5-[2-(3,4-Dimethoxyphenyl)ethyl]-2-hydroxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(3,4-Dimethoxyphenyl)ethyl]-2-hydroxybenzoic acid",NA,"COC1=C(C=C(C=C1)CCC2=CC(=C(C=C2)O)C(=O)O)OC","ZGJRCBZQVVYKMS-UHFFFAOYSA-N",380859,NA,"PDBC27011","666599","Present",NA,NA
+"27012","5-[2-(3-Amino-6-fluoroisoquinolin-4-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((3-amino-6-fluoroisoquinolin-4-yl)ethynyl)-6-methyl-N...",NA,"CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=C5C=C(C=CC5=CN=C4N)F","NLTPJGABPAYONH-UHFFFAOYSA-N",134276772,NA,"PDBC27012","802538","Present",NA,NA
+"27013","5-[2-(3-Methoxyphenyl)ethylamino]-7-methyl-benzimidazolo[1,2-a][1,8]naphthyridin-7-ium-6-carbonitrile; 4-methylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzimidazo[1,2-a][1,8]naphthyridin-7-ium, 6-cyano-5-[[2...",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C(=C(C3=C(N2C4=CC=CC=C41)N=CC=C3)NCCC5=CC(=CC=C5)OC)C#N","OHJXKIBPCNXPLV-UHFFFAOYSA-N",393024,NA,"PDBC27013","694269","Present",NA,NA
+"27014","5-[2-(4-Chlorophenyl)ethyl]-6,7-dimethyl-1,1-dioxo-3-phenyl-3,4-dihydro-2H-pyrrolo[3,2-b][1,4]thiazine-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(4-Chlorophenyl)ethyl]-6,7-dimethyl-1,1-dioxo-3-phenyl-3,4-dihydro-2H-pyrrolo[3,2-b][1,4]thiazine-2-carbonitrile",NA,"CC1=C(N(C2=C1S(=O)(=O)C(C(N2)C3=CC=CC=C3)C#N)CCC4=CC=C(C=C4)Cl)C","IFOAYRQIXAMJIB-UHFFFAOYSA-N",392835,NA,"PDBC27014","693813","Present",NA,NA
+"27015","5-[2-(4-Fluorophenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(4-Fluorophenyl)ethylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,"C1=CC=C2C(=C1)C(=C(C3=NC4=CC=CC=C4N23)C#N)NCCC5=CC=C(C=C5)F","YZXQLOGTUGLDBN-UHFFFAOYSA-N",391678,NA,"PDBC27015","691220","Present",NA,NA
+"27016","5-[2-(4-Methoxyphenyl)Ethyl]-1,3-Dimethoxy Benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(4-Methoxyphenyl)Ethyl]-1,2,3-Dimethoxy Benzene",NA,"COC1=CC=C(C=C1)CCC2=CC(=CC(=C2)OC)OC","IMBWDLGZWDZTMN-UHFFFAOYSA-N",364702,NA,"PDBC27016","631356","Present",NA,NA
+"27017","5-[2-(8-Amino-1,7-naphthyridin-5-yl)ethynyl]-6-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((8-amino-1,7-naphthyridin-5-yl)ethynyl)-6-methyl-N-(4...",NA,"CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=CC=N5)N","UAFBNXYIUVXCJM-UHFFFAOYSA-N",134276859,NA,"PDBC27017","801420","Present",NA,NA
+"27018","5-[2-(Diethylamino)ethoxy]-10-[2-(diethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(Diethylamino)ethoxy]-10-[2-(diethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OCCN(CC)CC","ZKIVPMPNONZNIG-UHFFFAOYSA-N",439027,NA,"PDBC27018","699153","Present",NA,NA
+"27019","5-[2-(Pyridin-2-yl)ethynyl]-6-(3,5-trimethoxyphenyl)-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-(pyridin-2-yl)ethynyl]-6-(3,4,5-trimethoxyphenyl)-2...",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C=CC(=O)O2)C#CC3=CC=CC=N3","ZSHLYSBYGINZJK-UHFFFAOYSA-N",45028049,NA,"PDBC27019","740845","Present",NA,NA
+"27020","5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-1,3-diazinane-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-1,3-diazinane-2,4,6-trione",NA,"COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(C3C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5","MISYGYFJPZPFOP-UHFFFAOYSA-N",405084,NA,"PDBC27020","721965","Present",NA,NA
+"27021","5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-Benzoyl-1,3-bis(4-methoxyphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"COC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(C3C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)OC)C(=O)C5=CC=CC=C5","MGTJJXGDAUYMNB-UHFFFAOYSA-N",5472840,NA,"PDBC27021","721966","Present",NA,NA
+"27022","5-[2-Benzoyl-1,3-bis(4-methylphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-Benzoyl-1,3-bis(4-methylphenyl)-5-oxo-5-phenylpentyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"CC1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C(C(C3C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5","PIHFZKABJHCFRL-UHFFFAOYSA-N",5472841,NA,"PDBC27022","721968","Present",NA,NA
+"27023","5-[2-Diethylaminoethylamino]-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=CC=CC=C4C2=O","ODUVNHPURYHOJK-UHFFFAOYSA-N",438561,NA,"PDBC27023","645821","Present",NA,NA
+"27024","5-[2-Diethylaminoethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O","YEYRTYJQKCNBIE-UHFFFAOYSA-N",438567,NA,"PDBC27024","645828","Present",NA,NA
+"27025","5-[2-Diethylaminoethylamino]-8-methoxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-5-methoxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC","YUYJABGAVLKAJQ-UHFFFAOYSA-N",438566,NA,"PDBC27025","645826","Present",NA,NA
+"27026","5-[2-Diethylaminoethylamino]-8-nitro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Diethylamino)ethylamino]-5-nitro-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)[N+](=O)[O-]","PEQNMCQAQYPFTF-UHFFFAOYSA-N",438556,NA,"PDBC27026","645816","Present",NA,NA
+"27027","5-[2-Dimethylaminoethylamino]-8-chloro-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-10-[2-(dimethylamino)ethylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)Cl","AFXDVSBSNRAKKZ-UHFFFAOYSA-N",438558,NA,"PDBC27027","645818","Present",NA,NA
+"27028","5-[2-Dimethylaminoethylamino]-8-methyl-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-[2-(Dimethylamino)ethylamino]-5-methyl-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one",NA,"CC1=CC2=C(C=C1)N3C4=C(C=CC(=C4C2=O)NCCN(C)C)N=N3","VOKYJMLZEOIPFL-UHFFFAOYSA-N",438563,NA,"PDBC27028","645823","Present",NA,NA
+"27029","5-[2-[2-(5-Anilino-1,3,4-thiadiazol-2-yl)anilino]phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[2-(5-Anilino-1,3,4-thiadiazol-2-yl)anilino]phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine",NA,"C1=CC=C(C=C1)NC2=NN=C(S2)C3=CC=CC=C3NC4=CC=CC=C4C5=NN=C(S5)NC6=CC=CC=C6","RBCJNCHCJNDFJB-UHFFFAOYSA-N",394755,NA,"PDBC27029","698458","Present",NA,NA
+"27030","5-[2-[3-Phenylpropyl(propyl)amino]ethyl]-1,3-dihydrobenzimidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[3-Phenylpropyl(propyl)amino]ethyl]-1,3-dihydrobenzimidazole-2-thione",NA,"CCCN(CCCC1=CC=CC=C1)CCC2=CC3=C(C=C2)NC(=S)N3","YPNWEKIQMJCAGO-UHFFFAOYSA-N",3005423,NA,"PDBC27030","699427","Present",NA,NA
+"27031","5-[2-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[4-[Bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-1,3-dihydrobenzimidazole-2-thione",NA,"C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCC4=CC5=C(C=C4)NC(=S)N5","JACBHJSHCJVLPK-UHFFFAOYSA-N",5470861,NA,"PDBC27031","705936","Present",NA,NA
+"27032","5-[2-[8-(Trifluoromethyl)quinolin-4-yl]sulfanylethyl]-3H-1,3,4-oxadiazole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[2-[8-(Trifluoromethyl)quinolin-4-yl]sulfanylethyl]-3H-1,3,4-oxadiazole-2-thione",NA,"C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)SCCC3=NNC(=S)O3","XCLALWDPYMKTQB-UHFFFAOYSA-N",45027947,NA,"PDBC27032","740243","Present",NA,NA
+"27033","5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(4-nitrophenyl)pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(4-nitrophenyl)pyrazole-3-carboxamide",NA,"C1=CC(=CC=C1N2C(=CC(=N2)C3C(C(C(O3)CO)O)O)C(=O)N)[N+](=O)[O-]","MVHSDTAZDIRYPT-UHFFFAOYSA-N",374292,NA,"PDBC27033","651811","Present",NA,NA
+"27034","5-[3-(2-Aminophenyl)-3-oxo-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(2-Aminophenyl)-3-oxo-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione",NA,"C1=CC=C(C(=C1)C(=O)CCC2C(=O)NC(=S)NC2=O)N","HVSFFSQDSUWXDH-UHFFFAOYSA-N",3004345,NA,"PDBC27034","647091","Present",NA,NA
+"27035","5-[3-(2-Chloro-4-pyridin-4-ylphenyl)but-1-ynyl]-6-ethylpyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(3-(2-chloro-4-(pyridin-4-yl)phenyl)but-1-yn-1-yl)-6-e...",NA,"CCC1=C(C(=NC(=N1)N)N)C#CC(C)C2=C(C=C(C=C2)C3=CC=NC=C3)Cl","UIPIXYKGGAAOQX-UHFFFAOYSA-N",155812243,NA,"PDBC27035","794222","Present",NA,NA
+"27036","5-[3-(2-Naphthyl)-3-oxo-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(2-Naphthyl)-3-oxo-propyl]-2-thioxo-hexahydropyrimidine-4,6-dione",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CCC3C(=O)NC(=S)NC3=O","YBMIYGLVWJCHGU-UHFFFAOYSA-N",3004346,NA,"PDBC27036","647098","Present",NA,NA
+"27037","5-[3-(3,4,5-Triazatricyclo[5.2.1.02,6]dec-4-en-3-yl)buta-1,3-dien-2-yl]-3,4,5-triazatricyclo[5.2.1.02,6]dec-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(3,4,5-Triazatricyclo[5.2.1.02,6]dec-4-en-3-yl)buta-1,3-dien-2-yl]-3,4,5-triazatricyclo[5.2.1.02,6]dec-3-ene",NA,"C=C(C(=C)N1C2C3CCC(C3)C2N=N1)N4C5C6CCC(C6)C5N=N4","PYAXCCCKTBSPGX-UHFFFAOYSA-N",365728,NA,"PDBC27037","633669","Present",NA,NA
+"27038","5-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]-1,3,4-thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(3,4-Dichlorophenylcarbamoyl)thioureido]-1,3,4-thiadiazole-2-sulfonamide",NA,"C1=CC(=C(C=C1NC(=O)NC(=S)NC2=NN=C(S2)S(=O)(=O)N)Cl)Cl","WRMIBVNYBCBNIH-UHFFFAOYSA-N",5470532,NA,"PDBC27038","702688","Present",NA,NA
+"27039","5-[3-(4-Chloro-phenyl)-5-oxo-1,5-diphenyl-pent-2-enylidene]-2-thioxo-thiazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(4-Chloro-phenyl)-5-oxo-1,5-diphenyl-pent-2-enylide...",NA,"C1=CC=C(C=C1)C(=O)CC(=CC(=C2C(=O)NC(=S)S2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","CRSZQINWTRBXRQ-ADGFTTEDSA-N",11836081,NA,"PDBC27039","728227","Present",NA,NA
+"27040","5-[3-(4-Methoxyphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(4-Methoxyphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione",NA,"COC1=CC=C(C=C1)C(=O)C#CC2=CNC(=O)NC2=O","YLIJJQODIVITAW-UHFFFAOYSA-N",359101,NA,"PDBC27040","619677","Present",NA,NA
+"27041","5-[3-(4-Methylphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(4-Methylphenyl)-3-oxo-1-propynyl]pyrimidine-2,4(1H,3H)-dione",NA,"CC1=CC=C(C=C1)C(=O)C#CC2=CNC(=O)NC2=O","JZWZVSOIJFWBNH-UHFFFAOYSA-N",359100,NA,"PDBC27041","619676","Present",NA,NA
+"27042","5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]-1,3-diazinane-2,4,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]pyrimidine-2,4,6(1h,3h,5h)-trione",NA,"C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3C(=O)NC(=O)NC3=O","IKIDFIQJNLAKJU-UHFFFAOYSA-N",405071,NA,"PDBC27042","721952","Present",NA,NA
+"27043","5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(4-Nitrophenyl)-3-oxo-1-phenylpropyl]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"C1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3C(=O)NC(=S)NC3=O","VMGYCUKCSCUHPE-UHFFFAOYSA-N",5472837,NA,"PDBC27043","721953","Present",NA,NA
+"27044","5-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylideneoxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylidenedihydrofuran-2(3h)-one",NA,"CC1(CC(=C)C(=O)O1)C2=CC(=CC=C2)NC3=NC4=CC=CC=C4C5=C3C=CO5","SZYYPLJCVPVSAB-UHFFFAOYSA-N",404365,NA,"PDBC27044","720567","Present",NA,NA
+"27045","5-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoyl]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 5-[[3-[2-chloro-4-(4,6-...",NA,"CCS(=O)(=O)O.CC1=C(C=C(C=C1)C(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F","ZHYMXINBDXGCEQ-UHFFFAOYSA-N",276185,NA,"PDBC27045","123468","Present",NA,NA
+"27046","5-[3-[2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenoxy]propylcarbamoylamino]-2-methylbenzenesulfonyl fluoride;ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Toluenesulfonyl fluoride, 5-[3-[3-[2-chloro-4-(4,6-dia...",NA,"CCS(=O)(=O)O.CC1=C(C=C(C=C1)NC(=O)NCCCOC2=C(C=C(C=C2)N3C(=NC(=NC3(C)C)N)N)Cl)S(=O)(=O)F","HWMUYDBDFSVLLU-UHFFFAOYSA-N",275433,NA,"PDBC27046","122291","Present",NA,NA
+"27047","5-[3-[Tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-iodo-1-methylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[3-[Tert-butyl(dimethyl)silyl]oxyprop-1-ynyl]-6-iodo-1-methylpyrimidine-2,4-dione",NA,"CC(C)(C)[Si](C)(C)OCC#CC1=C(N(C(=O)NC1=O)C)I","BOGZBXQONMIESW-UHFFFAOYSA-N",45028660,NA,"PDBC27047","743568","Present",NA,NA
+"27048","5-[4,5-Bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-(1,3-dithiolan-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-2-(1,3-dithiolan-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiole",NA,"CSC1=C(SC(=C2SC3=C(S2)SC(=C4SCCS4)S3)S1)SC","WDQXSEVUMALCBY-UHFFFAOYSA-N",392907,NA,"PDBC27048","694089","Present",NA,NA
+"27049","5-[4-(1,3-Benzoxazol-2-yl)phenyl]-2-furaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[4-(1,3-benzoxazol-2-yl)phenyl]-2-furaldehyde",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(O4)C=O","SJVICKIKPLOECS-UHFFFAOYSA-N",24203195,NA,"PDBC27049","727101","Present",NA,NA
+"27050","5-[4-(4-Aminophenyl)butyl]-6-methyl-pyrimidine-2,4-diamine; sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[4-(4-Aminophenyl)butyl]-6-methyl-pyrimidine-2,4-diamine; sulfuric acid",NA,"CC1=C(C(=NC(=N1)N)N)CCCCC2=CC=C(C=C2)N.OS(=O)(=O)O","XBUKMTOKOUUQQK-UHFFFAOYSA-N",309191,NA,"PDBC27050","211370","Present",NA,NA
+"27051","5-[4-(4-Carboxythiadiazol-5-yl)phenyl]thiadiazole-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[4-(4-Carboxythiadiazol-5-yl)phenyl]thiadiazole-4-carboxylic acid",NA,"C1=CC(=CC=C1C2=C(N=NS2)C(=O)O)C3=C(N=NS3)C(=O)O","FKLUDLBKVQQJJO-UHFFFAOYSA-N",274297,NA,"PDBC27051","120288","Present",NA,NA
+"27052","5-[4-(4-Nitrophenyl)butyl]pyrimidine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[4-(4-Nitrophenyl)butyl]pyrimidine-2,4,6-triamine",NA,"C1=CC(=CC=C1CCCCC2=C(N=C(N=C2N)N)N)[N+](=O)[O-]","ZULTXGJBOSJYDO-UHFFFAOYSA-N",309981,NA,"PDBC27052","212446","Present",NA,NA
+"27053","5-[4-(Diethylamino)-2-methylphenyl]iminoquinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GCFYQFJLUQNCIB-UHFFFAOYSA-N",NA,"CCN(CC)C1=CC(=C(C=C1)N=C2C=CC(=O)C3=C2C=CC=N3)C","GCFYQFJLUQNCIB-UHFFFAOYSA-N",364894,NA,"PDBC27053","631722","Present",NA,NA
+"27054","5-[4-(Dimethylamino)phenyl]-6-methyl-5H-benzo[h]cyclopenta[c]quinoline-11-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[4-(Dimethylamino)phenyl]-16-methyl-17-azatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-ol",NA,"CC1=C2C=CC=C2C3=C(N1C4=CC=C(C=C4)N(C)C)C5=CC=CC=C5C(=C3)O","QRKFFGVOXUVELV-UHFFFAOYSA-N",402620,NA,"PDBC27054","716776","Present",NA,NA
+"27055","5-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylideneoxolan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[4-(Furo[3,2-c]quinolin-4-ylamino)phenyl]-5-methyl-3-methylidenedihydrofuran-2(3h)-one",NA,"CC1(CC(=C)C(=O)O1)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C5=C3C=CO5","JAVZRWSGWYSQKU-UHFFFAOYSA-N",404361,NA,"PDBC27055","720563","Present",NA,NA
+"27056","5-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphthalene-2,3-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphthalene-2,3-diol",NA,"C1C(C(OC1C2=CC=CC3=CC(=C(C=C32)O)O)CO)O","RXPQBQNHFXMGHD-UHFFFAOYSA-N",393545,NA,"PDBC27056","695607","Present",NA,NA
+"27057","5-[4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]-10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-{4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl}-10,15,20-tris(4-methylphenyl)porphyrin",NA,"CC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)C)C8=CC=C(C=C8)OCC9COC(O9)(C)C)C=C4)C1=CC=C(C=C1)C)N3","GQTHTRCGPHVNJX-UHFFFAOYSA-N",135409215,NA,"PDBC27057","667504","Present",NA,NA
+"27058","5-[4-[5-Oxo-5-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]anilino]pentyl]piperazin-1-yl]-N-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[4-[5-Oxo-5-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]anilino]pentyl]piperazin-1-yl]-N-[2-[(Z)-6-[2-(trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]pentanamide",NA,"C1CN(CCN1CCCCC(=O)NC2=CC=CC=C2C#CC=CC#CC3=CC=CC=C3C(F)(F)F)CCCCC(=O)NC4=CC=CC=C4C#CC=CC#CC5=CC=CC=C5C(F)(F)F","UGBVZIZUXREPOU-CCAGOZQPSA-N",24206046,NA,"PDBC27058","737785","Present",NA,NA
+"27059","5-[4-[[5-(Dimethylamino)-1,2,4-dithiazol-3-ylidene]amino]phenyl]imino-N,N-dimethyl-1,2,4-dithiazol-3-amine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[4-[[5-(Dimethylamino)-1,2,4-dithiazol-3-ylidene]amino]phenyl]imino-N,N-dimethyl-1,2,4-dithiazol-3-amine;hydrobromide",NA,"CN(C)C1=NC(=NC2=CC=C(C=C2)N=C3N=C(SS3)N(C)C)SS1.Br","FDJWUEYSPGGHAY-UHFFFAOYSA-N",360469,NA,"PDBC27059","622602","Present",NA,NA
+"27060","5-[5-(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[5-(4-Methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methyl-N-(4-methylphenyl)-1,3-thiazol-2-amine",NA,"CC1=CC=C(C=C1)NC2=NC(=C(S2)C3=NNC(C3)C4=CC=C(C=C4)OC)C","MMEVDWJRTLDSAD-UHFFFAOYSA-N",360113,NA,"PDBC27060","621967","Present",NA,NA
+"27061","5-[5-(5-Formyl-2-thienyl)-4-nonyl-2-thienyl]thiophene-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[5-(5-Formyl-2-thienyl)-4-nonyl-2-thienyl]thiophene-2-carbaldehyde",NA,"CCCCCCCCCC1=C(SC(=C1)C2=CC=C(S2)C=O)C3=CC=C(S3)C=O","JVKIVXFKFSYRTM-UHFFFAOYSA-N",383728,NA,"PDBC27061","672157","Present",NA,NA
+"27062","5-[5-(5-Formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[5-(5-Formyl-4-propyl-1H-pyrrol-2-yl)-2-thienyl]-3-propyl-1H-pyrrole-2-carbaldehyde",NA,"CCCC1=C(NC(=C1)C2=CC=C(S2)C3=CC(=C(N3)C=O)CCC)C=O","YAOVSUPVJPZTCX-UHFFFAOYSA-N",374810,NA,"PDBC27062","653147","Present",NA,NA
+"27063","5-[5-(5-Formylfuran-2-yl)-1-methylpyrrol-2-yl]furan-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[5-(5-Formyl-2-furyl)-1-methyl-pyrrol-2-yl]furan-2-carbaldehyde",NA,"CN1C(=CC=C1C2=CC=C(O2)C=O)C3=CC=C(O3)C=O","BNFCVDSGARMBAE-UHFFFAOYSA-N",396471,NA,"PDBC27063","702648","Present",NA,NA
+"27064","5-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]pentyl N-[6-[5-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]pentoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]pentyl N-[6-[5-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]pentoxycarbonylamino]hexyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCCCOC(=O)NCCCCCCNC(=O)OCCCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","STVRFCPWAHDRGL-UHFFFAOYSA-N",364414,NA,"PDBC27064","630667","Present",NA,NA
+"27065","5-[5-(Furan-2-yl)-1-methylpyrrol-2-yl]furan-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[5-(2-Furyl)-1-methyl-pyrrol-2-yl]furan-2-carbaldehyde",NA,"CN1C(=CC=C1C2=CC=C(O2)C=O)C3=CC=CO3","GENUADPBHHEMNF-UHFFFAOYSA-N",396470,NA,"PDBC27065","702647","Present",NA,NA
+"27066","5-[5-[(E)-(Carbamimidoylhydrazono)methyl]-4-nitro-2-(5-sulfo-2-furyl)-3-furyl]furan-2-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[5-[(E)-(Carbamimidoylhydrazono)methyl]-4-nitro-2-(5-sulfo-2-furyl)-3-furyl]furan-2-sulfonic acid",NA,"C1=C(OC(=C1)S(=O)(=O)O)C2=C(OC(=C2[N+](=O)[O-])C=NN=C(N)N)C3=CC=C(O3)S(=O)(=O)O","YFNWGOKSQBGLEX-YAXRCOADSA-N",9571705,NA,"PDBC27066","647123","Present",NA,NA
+"27067","5-[5-[(E)-[3-(4-Bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]isoindole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-5-(5-((3-(4-bromophenyl)-2-imino-4-oxothiazolidin-5-...",NA,"C1=CC(=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=CC5=C(C=C4)C(=O)NC5=O)SC2=N)Br","ULBOWKXOFOTCMU-JJIAOXALSA-N",118984477,NA,"PDBC27067","772975","Present",NA,NA
+"27068","5-[5-[5-[5-[5-[5-[5-(5-Formyl-3-hexylthiophen-2-yl)thiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[5-[5-[5-[5-[5-[5-(5-Formyl-3-hexylthiophen-2-yl)thiophen-2-yl]-4-hexylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-3-hexylthiophen-2-yl]thiophen-2-yl]-4-hexylthiophene-2-carbaldehyde",NA,"CCCCCCC1=C(SC(=C1)C=O)C2=CC=C(S2)C3=C(C=C(S3)C4=CC=C(S4)C5=CC=C(S5)C6=CC(=C(S6)C7=CC=C(S7)C8=C(C=C(S8)C=O)CCCCCC)CCCCCC)CCCCCC","YTYIELVODNUYEQ-UHFFFAOYSA-N",396447,NA,"PDBC27068","702420","Present",NA,NA
+"27069","5-[6-(2-Sulfanylpyrimidin-5-yl)pyrazin-2-yl]pyrimidine-2-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[6-(2-Sulfanylpyrimidin-5-yl)pyrazin-2-yl]pyrimidine-2-thiol",NA,"C1=C(C=NC(=S)N1)C2=CN=CC(=N2)C3=CNC(=S)N=C3","CRDRTRSSNGGNKW-UHFFFAOYSA-N",3005392,NA,"PDBC27069","695603","Present",NA,NA
+"27070","5-[6-Chloro-2-(3,4-dichloroanilino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[6-Chloro-2-(3,4-dichloroanilino)purin-9-yl]-2-(hydroxymethyl)tetrahydrofuran-3-ol",NA,"C1C(C(OC1N2C=NC3=C2N=C(N=C3Cl)NC4=CC(=C(C=C4)Cl)Cl)CO)O","HEEANCXZTNZIAU-UHFFFAOYSA-N",388056,NA,"PDBC27070","682517","Present",NA,NA
+"27071","5-[7-(3-Amino-1H-1,2,4-triazol-5-yl)heptyl]-1H-1,2,4-triazol-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5'-Heptane-1,7-diylbis(1H-1,2,4-triazol-3-amine)",NA,"C(CCCC1=NC(=NN1)N)CCCC2=NC(=NN2)N","JVHWVLLANDAWPO-UHFFFAOYSA-N",366788,NA,"PDBC27071","635561","Present",NA,NA
+"27072","5-[8-(5-Anilino-1,3,4-oxadiazol-2-yl)octyl]-N-phenyl-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[8-(5-Anilino-1,3,4-oxadiazol-2-yl)octyl]-N-phenyl-1,3,4-oxadiazol-2-amine",NA,"C1=CC=C(C=C1)NC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)NC4=CC=CC=C4","KOLVFVFSNLNQRA-UHFFFAOYSA-N",394052,NA,"PDBC27072","697170","Present",NA,NA
+"27073","5-[8-[5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl]octyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[8-[5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl]octyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine",NA,"C1=CC(=CC=C1NC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)NC4=CC=C(C=C4)Cl)Cl","KYVCZCCWTQKSBB-UHFFFAOYSA-N",394053,NA,"PDBC27073","697171","Present",NA,NA
+"27074","5-[8-[5-(4-Methoxyanilino)-1,3,4-oxadiazol-2-yl]octyl]-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[8-[5-(4-Methoxyanilino)-1,3,4-oxadiazol-2-yl]octyl]-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine",NA,"COC1=CC=C(C=C1)NC2=NN=C(O2)CCCCCCCCC3=NN=C(O3)NC4=CC=C(C=C4)OC","OSQBFHMCMRDQSN-UHFFFAOYSA-N",394054,NA,"PDBC27074","697172","Present",NA,NA
+"27075","5-[8-[5-(Diethylamino)-1,3,4-oxadiazol-2-yl]octyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[8-[5-(Diethylamino)-1,3,4-oxadiazol-2-yl]octyl]-N,N-diethyl-1,3,4-oxadiazol-2-amine",NA,"CCN(CC)C1=NN=C(O1)CCCCCCCCC2=NN=C(O2)N(CC)CC","HDJZWHOILBVXON-UHFFFAOYSA-N",394063,NA,"PDBC27075","697181","Present",NA,NA
+"27076","5-[Allyl(methylsulfonyl)amino]-7-methoxy-3-methyl-4-nitro-1H-indole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[Allyl(methylsulfonyl)amino]-7-methoxy-3-methyl-4-nitro-1H-indole-2-carboxylic acid",NA,"CC1=C(NC2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OC)C(=O)O","OSBSDMZZNGLDLL-UHFFFAOYSA-N",393317,NA,"PDBC27076","694982","Present",NA,NA
+"27077","5-[Benzimidazol-2-ylidene-(4-chlorophenyl)methyl]-3-(4-chlorophenyl)furan-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[Benzimidazol-2-ylidene-(4-chlorophenyl)methyl]-3-(4-chlorophenyl)furan-2,4-diol",NA,"C1=CC2=NC(=C(C3=CC=C(C=C3)Cl)C4=C(C(=C(O4)O)C5=CC=C(C=C5)Cl)O)N=C2C=C1","YUDKMARDGBEHPH-UHFFFAOYSA-N",359853,NA,"PDBC27077","621470","Present",NA,NA
+"27078","5-[Bis(2-chloroethyl)amino]-2,4-dinitrobenzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HGQCWSSCAYOKJM-UHFFFAOYSA-N",NA,"C1=C(C(=CC(=C1N(CCCl)CCCl)[N+](=O)[O-])[N+](=O)[O-])C#N","HGQCWSSCAYOKJM-UHFFFAOYSA-N",372566,NA,"PDBC27078","647928","Present",NA,NA
+"27079","5-[Bis(2-hydroxyethyl)amino]-2,4-dinitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[Bis(2-hydroxyethyl)amino]-2,4-dinitrobenzamide",NA,"C1=C(C(=CC(=C1N(CCO)CCO)[N+](=O)[O-])[N+](=O)[O-])C(=O)N","PSYZNANYYIHBSV-UHFFFAOYSA-N",371870,NA,"PDBC27079","646393","Present",NA,NA
+"27080","5-[Bis(4-chlorophenyl)methyl]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[Bis(4-chlorophenyl)methyl]pyrimidine",NA,"C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C3=CN=CN=C3)Cl","FOQIAMHLCXUKND-UHFFFAOYSA-N",160135,NA,"PDBC27080","626917","Present",NA,NA
+"27081","5-[Bis[[2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-2,3-dihydrochromen-5-yl]oxy]alumanyloxy]-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[Bis[[2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-4-oxo-2,3-dihydrochromen-5-yl]oxy]alumanyloxy]-2-(2,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one",NA,NA,NA,NA,NA,"PDBC27081","626809","Present",NA,NA
+"27082","5-[D-ribo-tetritol-1-yl]tetrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[D-ribo-tetritol-1-yl]tetrazole",NA,"C(C(C(C(C1=NNN=N1)O)O)O)O","AQAONKSLRDMVDP-UHFFFAOYSA-N",361310,NA,"PDBC27082","624281","Present",NA,NA
+"27083","5-[Imidazol-1-yl-(3,4,5-trimethoxyphenyl)methyl]-2-methoxyphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((1H-imidazol-1-yl)(3,4,5-trimethoxyphenyl)methyl)-2-m...",NA,"COC1=C(C=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C=CN=C3)O","ICUDMRHVAJJLPT-UHFFFAOYSA-N",155811914,NA,"PDBC27083","788806","Present",NA,NA
+"27084","5-[N-[(2,5-Dimethoxyphenyl)methyl]amino]-N-(4-fluorophenethyl)salicylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[N-[(2,5-dimethoxyphenyl)methyl]amino]-N-(4- fluorophe...",NA,"COC1=CC(=C(C=C1)OC)CNC2=CC(=C(C=C2)O)C(=O)NCCC3=CC=C(C=C3)F","JDIAZOCYHZJULP-UHFFFAOYSA-N",403658,NA,"PDBC27084","718726","Present",NA,NA
+"27085","5-[N-[(2,5-Dimethoxyphenyl)methyl]amino]-N-(hexyl)salicylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[N-[(2,5-Dimethoxyphenyl)methyl]amino]-N-(hexyl)salicy...",NA,"CCCCCCNC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)OC)OC)O","PQRHOBFXXKAAHE-UHFFFAOYSA-N",403339,NA,"PDBC27085","718129","Present",NA,NA
+"27086","5-[[(1S,2S,4R,7E,11S)-4-Methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonyl]thiophene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-((((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC=C(S4)C(=O)O","YUTUBEIYJQUWFT-BTBCRLFNSA-N",155806444,NA,"PDBC27086","801809","Present",NA,NA
+"27087","5-[[(Dimethylamino)sulfonyl]amino]-1,3,4-thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(Dimethylsulfamoyl)amino]-1,3,4-thiadiazole-2-sulfonamide",NA,"CN(C)S(=O)(=O)NC1=NN=C(S1)S(=O)(=O)N","OXCKOUMFAKPIEL-UHFFFAOYSA-N",395819,NA,"PDBC27087","700711","Present",NA,NA
+"27088","5-[[1-Benzyl-2-[[1-benzyl-2-[2-[[1-[(1-carbamoyl-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-4-(tert-butoxycarbonylamino)-5-oxo-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[1-[[1-[2-[[1-[(1-Amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-[(2-methylpr",NA,"CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCC(=O)O)NC(=O)OC(C)(C)C","GVSFIWOOZCIFDJ-UHFFFAOYSA-N",372507,NA,"PDBC27088","647623","Present",NA,NA
+"27089","5-[[2-Amino-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-4-oxo-3-[5-[(2,2,2-trifluoroacetyl)amino]-1,3-oxazol-2-yl]pentanoic acid;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[2-Amino-3-[4-(diaminomethylideneamino)phenyl]propanoyl]amino]-4-oxo-3-[5-[(2,2,2-trifluoroacetyl)amino]-1,3-oxazol-2-yl]pentanoic acid;2,2,2-trifluoroacetic acid",NA,"C1=CC(=CC=C1CC(C(=O)NCC(=O)C(CC(=O)O)C2=NC=C(O2)NC(=O)C(F)(F)F)N)N=C(N)N.C(=O)(C(F)(F)F)O","ICEMUIUKMSRAMD-UHFFFAOYSA-N",388725,NA,"PDBC27089","683780","Present",NA,NA
+"27090","5-[[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]amino]-5-oxo-pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[3-[(4-Chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]amino]-5-oxo-pentanoic acid",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2NC(=O)CCCC(=O)O)Cl","FUYMQVSRCVCZBO-UHFFFAOYSA-N",388166,NA,"PDBC27090","682730","Present",NA,NA
+"27091","5-[[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[4-(1,3-Benzoxazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one",NA,"C1=CC=C(C=C1)N2C(=O)C(NC2=S)N=NC3=CC=C(C=C3)C4=NC5=CC=CC=C5O4","RODJQCVRNFGTPL-UHFFFAOYSA-N",5472216,NA,"PDBC27091","716953","Present",NA,NA
+"27092","5-[[4-(1H-Benzimidazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[4-(1H-Benzimidazol-2-yl)phenyl]diazenyl]-3-phenyl-2-sulfanylideneimidazolidin-4-one",NA,"C1=CC=C(C=C1)N2C(=O)C(NC2=S)N=NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4","QMUGGXLNDVCLRQ-UHFFFAOYSA-N",5472217,NA,"PDBC27092","716954","Present",NA,NA
+"27093","5-[[4-(Dimethylamino)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[4-(Dimethylamino)naphthalen-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione",NA,"CN(C)C1=CC=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O","RINKBXGSJOUDMJ-UHFFFAOYSA-N",5471689,NA,"PDBC27093","713071","Present",NA,NA
+"27094","5-[[4-(Hydrazinecarbonyl)-1H-triazol-5-yl]disulfanyl]-1H-triazole-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[4-(Hydrazinecarbonyl)-1H-triazol-5-yl]disulfanyl]-1H-triazole-4-carbohydrazide",NA,"C1(=NNN=C1SSC2=NNN=C2C(=O)NN)C(=O)NN","MWQHRZUAGUQBFP-UHFFFAOYSA-N",389967,NA,"PDBC27094","686669","Present",NA,NA
+"27095","5-[[4-[5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[4-[5-(4-Chloroanilino)-1,3,4-oxadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-oxadiazol-2-amine",NA,"C1=CC(=CC=C1C2=NN=C(O2)NC3=CC=C(C=C3)Cl)NCC4=NN=C(O4)NC5=CC=C(C=C5)Cl","SXATZVSGEAKOQZ-UHFFFAOYSA-N",394023,NA,"PDBC27095","697141","Present",NA,NA
+"27096","5-[[4-[5-(4-Chloroanilino)-1,3,4-thiadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[4-[5-(4-Chloroanilino)-1,3,4-thiadiazol-2-yl]anilino]methyl]-N-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine",NA,"C1=CC(=CC=C1C2=NN=C(S2)NC3=CC=C(C=C3)Cl)NCC4=NN=C(S4)NC5=CC=C(C=C5)Cl","JYDDTOOZFMTZFW-UHFFFAOYSA-N",394022,NA,"PDBC27096","697140","Present",NA,NA
+"27097","5-[[8-Hydroxy-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-morpholin-4-ylpiperidin-1-yl)methyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 5,5'-methylenebis-[7-[4-(4-morpholinyl)-1-...",NA,"C1CN(CCC1N2CCOCC2)CC3=C(C4=C(C=CC=N4)C(=C3)CC5=CC(=C(C6=C5C=CC=N6)O)CN7CCC(CC7)N8CCOCC8)O","VOBPUGIZLFJMNP-UHFFFAOYSA-N",155815081,NA,"PDBC27097","782203","Present",NA,NA
+"27098","5-[[8-Hydroxy-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-5-yl]methyl]-7-[(4-piperidin-1-ylpiperidin-1-yl)methyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 5,5'-methylenebis-[7-([1,4'-bipiperidin]-1...",NA,"C1CCN(CC1)C2CCN(CC2)CC3=C(C4=C(C=CC=N4)C(=C3)CC5=CC(=C(C6=C5C=CC=N6)O)CN7CCC(CC7)N8CCCCC8)O","AIIYOMHOSBKINL-UHFFFAOYSA-N",155807231,NA,"PDBC27098","782967","Present",NA,NA
+"27099","5-alpha-Androstano[3,2',5'-oxadiazol-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-.alpha.-Androstano[3,4-c]-1',2',5'-oxadiazol-17-ol",NA,"CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC5O)C","HEWFXMGRSGPGII-KBJSFYQCSA-N",364569,NA,"PDBC27099","631056","Present",NA,NA
+"27100","5-alpha-Androstano[3,2',5'-oxadiazol-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-.alpha.-Androstano[3,4-c]-1',2',5'-oxadiazol-17-one",NA,"CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC5=O)C","OMBINTHJBCXOOE-QQTXUMRFSA-N",364570,NA,"PDBC27100","631057","Present",NA,NA
+"27101","5-amino-2-glyceryl-1,2,4-thiadiazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-amino-2-glyceryl-1,2,4-thiadiazol-3-one",NA,"C(C(CO)O)N1C(=O)N=C(S1)N","BTQHPUJKFFDNBR-UHFFFAOYSA-N",358985,NA,"PDBC27101","619192","Present",NA,NA
+"27102","5-beta-Androstano[3,2',5'-oxadiazol-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-.beta.-Androstano[3,4-c]-1',2',5'-oxadiazol-17-ol",NA,"CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC5O)C","HEWFXMGRSGPGII-XZPCSCFQSA-N",364568,NA,"PDBC27102","631055","Present",NA,NA
+"27103","5-beta-Androstano[3,2',5'-oxadiazol-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-.beta.-Androstano[3,4-c]-1',2',5'-oxadiazol-17-one",NA,"CC12CCC3=NON=C3C1CCC4C2CCC5(C4CCC5=O)C","OMBINTHJBCXOOE-UCYJMDMXSA-N",364571,NA,"PDBC27103","631058","Present",NA,NA
+"27104","5-bromo-indirubin-3'-oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-bromo-indirubin-3'-oxime",NA,"C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=C(C=C4)Br)O)N=O","YSIKXXBSGNCIBA-UHFFFAOYSA-N",135580426,NA,"PDBC27104","737348","Present",NA,NA
+"27105","5-cyano-6-methoxycarbonylmethylthio-2-methyl-4-phenylami...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-cyano-6-methoxycarbonylmethylthio-2-methyl-4-phenylami...",NA,"CC1=NC2=C(C(=C(N2)SCC(=O)OC)C#N)C(=N1)NC3=CC=CC=C3","ZJCQUMQRLSYNPD-UHFFFAOYSA-N",5465777,NA,"PDBC27105","661174","Present",NA,NA
+"27106","5-hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-3,7-dimethoxy-3',4'-methylenedioxyflavone",NA,"COC1=CC(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)O","KZBUZACVMLEHTG-UHFFFAOYSA-N",5466137,NA,"PDBC27106","678102","Present",NA,NA
+"27107","5-hydroxy-dehydroiso-.alpha.-lapachone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-hydroxy-dehydroiso-.alpha.-lapachone",NA,"CC(=C)C1CC2=C(O1)C(=O)C3=C(C2=O)C(=CC=C3)O","IBEJQTNPERQUOA-UHFFFAOYSA-N",392175,NA,"PDBC27107","692229","Present",NA,NA
+"27108","5-li-o-me-3, 2-hopo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-li-o-me-3, 2-hopo",NA,"CN1C=CC(=C(C1=O)O)C(=O)NCCOCCNC(=O)C2=C(C(=O)N(C=C2)C)O","UJBLQXIGCCWUTB-UHFFFAOYSA-N",391980,NA,"PDBC27108","691702","Present",NA,NA
+"27109","5-p-Tolylamino-[1,3,4]thiadiazole-2-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK597741",NA,"CC1=CC=C(C=C1)NC2=NNC(=S)S2","UDHJCFUNVNFOLP-UHFFFAOYSA-N",707007,NA,"PDBC27109","135812","Present",NA,NA
+"27110","5-{[(2-Aminophenyl)sulfanyl]methyl}-4-(hydroxymethyl)-2-methylpyridin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-{[(2-Aminophenyl)sulfanyl]methyl}-4-(hydroxymethyl)-2-...",NA,"CC1=NC=C(C(=C1O)CO)CSC2=CC=CC=C2N","ZXSKDEJJCMMJHS-UHFFFAOYSA-N",330508,NA,"PDBC27110","319443","Present",NA,NA
+"27111","5-{[(2-Nitrophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-{[(2-Nitrophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide",NA,"C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","CTLJHLYIILERNX-UHFFFAOYSA-N",395818,NA,"PDBC27111","700710","Present",NA,NA
+"27112","5-{[(3-Aminophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-{[(3-Aminophenyl)sulfonyl]amino}-1,3,4-thiadiazole-2-sulfonamide",NA,"C1=CC(=CC(=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)N","ZAVXXOXJXNKOFP-UHFFFAOYSA-N",395816,NA,"PDBC27112","700708","Present",NA,NA
+"27113","5-{[(5-Amino-4H-1,2,4-triazol-3-yl)amino]sulfonyl}-2-chloro-4-mercaptophenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-{[(5-Amino-4H-1,2,4-triazol-3-yl)amino]sulfonyl}-2-chloro-4-mercaptophenyl acetate",NA,"CC(=O)OC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)N","UOBAWPMUUPBNQQ-UHFFFAOYSA-N",380934,NA,"PDBC27113","666720","Present",NA,NA
+"27114","5-{[3-(Dimethylamino)propyl]amino}-9,10-dimethyl-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8H-thieno[2'3':4,5]pyrimido[2,1-a]phthalazin-8-one,5-[[3...",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)C4=CC=CC=C4C(=N3)NCCCN(C)C)C","WFIFNWRTUCZOSC-UHFFFAOYSA-N",1587482,NA,"PDBC27114","749169","Present",NA,NA
+"27115","5.alpha.,25D-Spirostan-3.beta.-ol glycoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5.alpha.,25D-Spirostan-3.beta.-ol glycoside",NA,NA,NA,NA,NA,"PDBC27115","106557","Present",NA,NA
+"27116","52:48 Diastereomeric mixture of (R)-(-)-and (S)-(+)-1,2'-diyl phosphate-(S)-dioxolane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"52:48 Diastereomeric mixture of (R)-(-)- and (S)-(+)-1,1...",NA,"CC1(OCC(O1)COCOP2(=O)OC3=C(C4=CC=CC=C4C=C3)C5=C(O2)C=CC6=CC=CC=C65)C","KXPGMHLQVJTJDD-FQEVSTJZSA-N",6712147,NA,"PDBC27116","657559","Present",NA,NA
+"27117","5A-hydroxy-variamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5A-hydroxy-variamycin",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)(C)O)OC3=CC(=C4C(=C3)C=C5CC(C(C(=O)C5=C4O)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC)C(C(=O)C(C(C)O)O)OC)O)O)O","AFBLEIALHXCARD-XBMXWKDQSA-N",155812111,NA,"PDBC27117","783300","Present",NA,NA
+"27118","5Abeta-Amino-10bbeta-(4-chlorophenyl)benzofuro[2,3-b]benzofuran-1,3,8,10-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5a-Amino-10b-(4-chlorophenyl)-[1]benzofuro[2,3-b][1]benzofuran-1,3,8,10-tetrol",NA,"C1=CC(=CC=C1C23C4=C(C=C(C=C4OC2(OC5=CC(=CC(=C35)O)O)N)O)O)Cl","GCKOUNXPRLOQKM-UHFFFAOYSA-N",402483,NA,"PDBC27118","716509","Present",NA,NA
+"27119","5DRM2M95C9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5DRM2M95C9",NA,"CC1=CC(=C(C=C1NC(=O)NC2=CC=CC3=CC=CC=C32)C(C)C)O","MPLDEKGOOJUJBT-UHFFFAOYSA-N",233722,NA,"PDBC27119","32673","Present",NA,NA
+"27120","5G-402S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5G-402S",NA,"CN1C(=NNC1=S)C2=CSC(=N2)C3=CC=C(C=C3)Cl","BHEODMWSZHOYFQ-UHFFFAOYSA-N",1478814,NA,"PDBC27120","669083","Present",NA,NA
+"27121","5H,17H-6,10:18,22-Diepiazenobis[1,3]dithiolo[4,5-b:4',5'-m][1,4,12,15]tetrathiacyclodocosine-2,14-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5,7,9,17,19,21,23-Octathia-29,30-diazapentacyclo[23.3.1.111,15.04,8.018,22]triaconta-1(29),4(8),11(30),12,14,18(22),25,27-octaene-6,20-dithione",NA,"C1C2=NC(=CC=C2)CSC3=C(SCC4=CC=CC(=N4)CSC5=C(S1)SC(=S)S5)SC(=S)S3","YDZZZIXNBGLFEL-UHFFFAOYSA-N",380598,NA,"PDBC27121","666273","Present",NA,NA
+"27122","5H-Benzimidazo[2',1':5,1]pyrrolo[2,3-b]quinoxalin-6-yl 4-methylphenyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Methylphenyl)sulfonyl-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3,5,7,9,11,14,16,18-nonaene",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=NC4=CC=CC=C4N3)N5C2=NC6=CC=CC=C65","WYXPLVWHZHJPSA-UHFFFAOYSA-N",375030,NA,"PDBC27122","653856","Present",NA,NA
+"27123","5H-Benzo[a]carbazole, 6,6a-dihydro-6a-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Benzo[a]carbazole, 6,6a-dihydro-6a-methyl-",NA,"CC12CCC3=CC=CC=C3C1=NC4=CC=CC=C24","WFIZSUJJRAIXMS-UHFFFAOYSA-N",338174,NA,"PDBC27123","359416","Present",NA,NA
+"27124","5H-Benzo[a]naphtho[2,3-c]carbazole-6,9,10,15-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Benzo[a]naphtho[2,3-c]carbazole-6,9,10,15-tetrone",NA,"C1=CC=C2C(=C1)C(=O)C3=C4C(=O)C=CC(=O)C4=C5C(=C3C2=O)C6=CC=CC=C6N5","MEONYDMMNHPUSF-UHFFFAOYSA-N",379252,NA,"PDBC27124","663666","Present",NA,NA
+"27125","5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-((dimethylamino)methyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Benzocyclohepten-5-one, 6,7,8,9-tetrahydro-6-[(dimeth...",NA,"CN(C)CC1CCCC2=CC=CC=C2C1=O.Cl","ZFOGITLYBBBXIO-UHFFFAOYSA-N",378641,NA,"PDBC27125","661440","Present",NA,NA
+"27126","5H-Benzocyclohepten-5-one,6,6,9-tetrabromo-6,7,8,9-tetrahydro-1,2-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Benzocyclohepten-5-one, 3,6,6,9-tetrabromo-6,7,8,9-te...",NA,"COC1=C(C=C2C(=C1OC)C(CCC(C2=O)(Br)Br)Br)Br","VBTGTZGFJOETGJ-UHFFFAOYSA-N",402671,NA,"PDBC27126","716857","Present",NA,NA
+"27127","5H-Chromeno[4,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AX8270866",NA,"C1C2=CN=C(N=C2C3=CC=CC=C3O1)N","AUYGNXXTXGESQL-UHFFFAOYSA-N",358186,NA,"PDBC27127","618062","Present",NA,NA
+"27128","5H-Chromeno[4,3-d]pyrimidin-2-ylhydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Chromeno[4,3-d]pyrimidin-2-ylhydrazine",NA,"C1C2=CN=C(N=C2C3=CC=CC=C3O1)NN","TVQAFPBXOHYWOP-UHFFFAOYSA-N",390586,NA,"PDBC27128","688109","Present",NA,NA
+"27129","5H-Dibenzo(c,e)azepin-7-yl methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZVC7Y2ONI6",NA,"COC1=NCC2=CC=CC=C2C3=CC=CC=C31","ZTLUWHCBZWFNAF-UHFFFAOYSA-N",375835,NA,"PDBC27129","656083","Present",NA,NA
+"27130","5H-Dibenzo[a,c]cyclohepten-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Dibenzo[a,c]cyclohepten-5-one",NA,"C1=CC=C2C(=C1)C=CC(=O)C3=CC=CC=C23","WJFOWHGZSALYEC-UHFFFAOYSA-N",138252,NA,"PDBC27130","647348","Present",NA,NA
+"27131","5H-Dibenzo[a,c]cyclohepten-5-one, 6,6'-thiobis[7-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-hydroxy-6-(7-hydroxy-5-oxo-dibenzo[[?],[?]][7]annulen-6-yl)sulfanyl-dibenzo[[?],[?]][7]annulen-5-one",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C(=C2O)SC4=C(C5=CC=CC=C5C6=CC=CC=C6C4=O)O","LLNGOGFIWWJSKT-UHFFFAOYSA-N",363012,NA,"PDBC27131","627551","Present",NA,NA
+"27132","5H-Dibenzo[a,d]cyclohepten-5-imine, 10,11-dibromo-10,11-dihydro-N-(benzoyloxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Dibenzo[a,d]cyclohepten-5-imine, 10,11-dibromo- 10,11...",NA,"C1=CC=C(C=C1)C(=O)ON=C2C3=CC=CC=C3C(C(C4=CC=CC=C42)Br)Br","SGJHKIINOHKVDO-UHFFFAOYSA-N",382531,NA,"PDBC27132","670140","Present",NA,NA
+"27133","5H-Dibenzo[a,d]cyclohepten-5-one, O-(3,5-dinitrobenzoyl)oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino) 3,5-dinitrobenzoate",NA,"C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=NOC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","ITXOZHOBMMSJGQ-UHFFFAOYSA-N",382530,NA,"PDBC27133","670139","Present",NA,NA
+"27134","5H-Dibenzo[a,d]cyclohepten-5-one, O-benzoyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5H-Dibenzo[a,d][7]annulen-5-ylideneamino)oxy](phenyl)m...",NA,"C1=CC=C(C=C1)C(=O)ON=C2C3=CC=CC=C3C=CC4=CC=CC=C42","BEWKLHRGXSTHLT-UHFFFAOYSA-N",382529,NA,"PDBC27134","670138","Present",NA,NA
+"27135","5H-Furo[3,N-(4-chlorophenyl)-4-methoxy-7-methyl-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Furo[3,2-g][1]benzopyran-9-sulfonamide,N-(4-chlorophe...",NA,"CC1=CC(=O)C2=C(C3=C(C(=C2O1)S(=O)(=O)NC4=CC=C(C=C4)Cl)OC=C3)OC","CLUFRRPRAOMTNL-UHFFFAOYSA-N",360205,NA,"PDBC27135","622182","Present",NA,NA
+"27136","5H-Imidazo[2,1-c]-1,2,4-triazol-5-one, 6,6'-[2-(4-methylphenyl)-2-oxoethylidene]bis[2,3-dihydro-3-imino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2-Bis(5-hydroxy-3-iminoimidazo[2,1-c][1,2,4]triazol-6-yl)-1-(4-methylphenyl)ethanone",NA,"CC1=CC=C(C=C1)C(=O)C(C2=C(N3C(=N)N=NC3=N2)O)C4=C(N5C(=N)N=NC5=N4)O","PYOCCGVFZDBKDC-UHFFFAOYSA-N",135465319,NA,"PDBC27136","636364","Present",NA,NA
+"27137","5H-Naphtho[1,8-bc]furan-5-one, 3-bromo-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Naphtho[1,8-bc]furan-5-one, 3-bromo-2-phenyl-",NA,"C1=CC=C(C=C1)C2=C3C(=CC(=O)C4=C3C(=CC=C4)O2)Br","LJELLXTWQHVQOY-UHFFFAOYSA-N",363561,NA,"PDBC27137","628525","Present",NA,NA
+"27138","5H-Naphtho[1,8-cd]isoxazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Naphtho[1,8-cd]isoxazol-5-one",NA,"C1=CC2=C3C(=NOC3=C1)C=CC2=O","WCUMLMAZEJZTNF-UHFFFAOYSA-N",363037,NA,"PDBC27138","627581","Present",NA,NA
+"27139","5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 12-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 12-phenyl-",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)C6=CC=CC=C6C5=O","SYFDLZWAZARVCW-UHFFFAOYSA-N",369536,NA,"PDBC27139","641393","Present",NA,NA
+"27140","5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 7,12-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Naphtho[2,3-a]carbazole-5,13(12H)-dione, 7,12-dimethyl-",NA,"CC1=CC2=C(C3=C1C4=CC=CC=C4N3C)C(=O)C5=CC=CC=C5C2=O","ZKRIFSYYGXRUKH-UHFFFAOYSA-N",367128,NA,"PDBC27140","636515","Present",NA,NA
+"27141","5H-Naphtho[2,3-c][1]benzazepine-6,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Naphtho[2,3-c][1]benzazepine-6,13-dione",NA,"C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC=CC=C4NC3=O","VYDOFBFPAMJVGT-UHFFFAOYSA-N",386348,NA,"PDBC27141","678131","Present",NA,NA
+"27142","5H-Phenophosphazinin-10-ium 10-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Phenophosphazinine 10-oxide",NA,"C1=CC=C2C(=C1)NC3=CC=CC=C3[P+]2=O","WVJYJWXHKMQMNR-UHFFFAOYSA-N",6328834,NA,"PDBC27142","666488","Present",NA,NA
+"27143","5H-Pyridazino[4,5-b]pyrido[3,2-e][1,4]thiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thia-4,9,12,13-tetrazatricyclo[8.4.0.03,8]tetradeca-1(14),3(8),4,6,10,12-hexaene",NA,"C1=CC2=C(N=C1)SC3=CN=NC=C3N2","YDMLYGAOOMFOBJ-UHFFFAOYSA-N",353134,NA,"PDBC27143","600293","Present",NA,NA
+"27144","5H-Pyrido(2,3-e)(1,3,4)triazepin-5-one, 3,4-dihydro-2-amino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrido[2,3-e][1,2,4][triazepin-1-one, 4-amino-2,3-dih...",NA,"C1=CC2=C(N=C1)N=C(NNC2=O)N","RPMPHAQTRSNDFR-UHFFFAOYSA-N",379035,NA,"PDBC27144","662797","Present",NA,NA
+"27145","5H-Pyrido[1',2]pyrimido[4,5-b]indol-11-ium, 5-methyl-12-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Pyrido[1',2':1,2]pyrimido[4,5-b]indol-11-ium, 5-methy...",NA,"CN1C2=CC=CC=C2C3=C([N+]4=CC=CC=C4N=C31)C5=CC=CC=C5.[I-]","VWOLWYNLNFHEGM-UHFFFAOYSA-M",405264,NA,"PDBC27145","722417","Present",NA,NA
+"27146","5H-Pyrido[3,4]benzothiazine-5-ethanol, acetate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Pyrido[3,4-b][1,4]benzothiazine-5-ethanol, acetate (e...",NA,"CC(=O)OCCN1C2=C(C=NC=C2)SC3=CC=CC=C31","OFVSUBFHWAFLLQ-UHFFFAOYSA-N",297252,NA,"PDBC27146","168221","Present",NA,NA
+"27147","5H-Pyrido[4, N,N-dimethyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Pyrido[4,3-b]indole-5-propanamine, N,N-dimethyl-, dih...",NA,"CN(C)CCCN1C2=C(C=NC=C2)C3=CC=CC=C31.Cl","NMERBBLUUADMSQ-UHFFFAOYSA-N",54600354,NA,"PDBC27147","162908","Present",NA,NA
+"27148","5H-Pyrrolizine-1, 6,7-dihydro-3-[[(1-oxobutoxy)methyl]-3-pyridinyl]-, bis(methylethyl)carbamate (diester), iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium, 1-[(1-oxobutoxy)methyl]-3-[6,7-dihydro- 1,2-...",NA,"CCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","USPDFCXDRPWMNH-UHFFFAOYSA-N",376896,NA,"PDBC27148","658082","Present",NA,NA
+"27149","5H-Pyrrolizine-1, 6,7-dihydro-3-[[(1-oxooctyoxy)methyl]-3-pyridinyl]-, bis(methylethyl)carbamate (diester), iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium, 1-[(1-oxooctyloxy)methyl]-3-[6,7-dihydro- 1,...",NA,"CCCCCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","WGZOQHDMUWXJDQ-UHFFFAOYSA-N",376902,NA,"PDBC27149","658086","Present",NA,NA
+"27150","5H-Quinindoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Quinindoline",NA,"C1=CC=C2C(=C1)C=C3C4=CC=CC=C4NC3=N2","RDFSPMPXDYGXHP-UHFFFAOYSA-N",67484,NA,"PDBC27150","687969","Present",NA,NA
+"27151","5H-Quino[6,8-ij][2,7]naphthridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Quino[6,7,8-ij][2,7]naphthridin-5-one",NA,"C1=CC2=C(C3=NC=CC4=C3C(=NC=C4)C2=O)N=C1","PBFIHLLASGHCTR-UHFFFAOYSA-N",388734,NA,"PDBC27151","683788","Present",NA,NA
+"27152","5H-[1,6]Indeno[1,2-c]-isoquinoline-5,12(6H)-dione, 2,3-dimethoxy-6-(3-hydroxypropyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(3-Hydroxy)-1-propyl]-5,6-dihydro-2,3-dimethoxy-8,9-m...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCO)OC","HVTQWKTVUPZVQA-UHFFFAOYSA-N",45027851,NA,"PDBC27152","728091","Present",NA,NA
+"27153","5H-[1]Benzopyrano[2, 7-methoxy-1-methyl-5-oxo-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-[1]Benzopyrano[2,3-b]pyridinium, 7-methoxy-1-methyl- ...",NA,"C[N+]1=CC=CC2=C1OC3=C(C2=O)C=C(C=C3)OC.[I-]","FHIBHBGGRLYSHO-UHFFFAOYSA-M",355175,NA,"PDBC27153","608362","Present",NA,NA
+"27154","5T-0260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5T-0260",NA,"COC1=CC=CC(=C1)C=C2CCCC3=CC=CC=C3C2=O","NALDNRRPUWIPLG-FOWTUZBSSA-N",5469390,NA,"PDBC27154","687668","Present",NA,NA
+"27155","5T-0302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5T-0302",NA,"CN(C)C1=CC=C(C=C1)C=C2CCCC3=CC=CC=C3C2=O","VWPPUIVJOSQTOP-SAPNQHFASA-N",1427939,NA,"PDBC27155","687676","Present",NA,NA
+"27156","5[(2,5Dimethoxybenzylidene)amino]-3-hydroxyguanidine tosylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630964",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C=C1)OC)C=NN=C(N)NO","HNKQEJNAKOXFAD-WXIWBVQFSA-N",9570008,NA,"PDBC27156","630964","Present",NA,NA
+"27157","5[(4-Hydroxy)-benzyliden]-2-phenylimino-3-propyl-4-thyazolid inone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5[(4-hydroxy)-benzyliden]-2-phenylimino-3-propyl-4-thyaz...",NA,"CCCN1C(=O)C(=CC2=CC=C(C=C2)O)SC1=NC3=CC=CC=C3","JIVJBHXMEOLWQZ-KLAKZEAMSA-N",24203565,NA,"PDBC27157","728574","Present",NA,NA
+"27158","5[2-(3,2-b]In dol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5[2-(3,4-Dimethoxyphenyl)ethyl]-9-hydroxy-5H-indeno[1,2-...",NA,"COC1=C(C=C(C=C1)CCN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O)OC","ZYFLRTZQQARDEX-UHFFFAOYSA-N",24204670,NA,"PDBC27158","732430","Present",NA,NA
+"27159","5a,12b-Dihydroxy-5a,12b-dihydro-5H-indeno[2,1-b]naphtho[2,3-d]furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,10-Dihydroxy-11-oxapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3,5,7,12,14,16,18-octaen-9-one",NA,"C1=CC=C2C=C3C(=CC2=C1)C4(C5=CC=CC=C5C(=O)C4(O3)O)O","SXPWFHCPILFFNY-UHFFFAOYSA-N",368010,NA,"PDBC27159","638239","Present",NA,NA
+"27160","5a-(4-Chlorophenyl)-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5a-(4-Chlorophenyl)-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one",NA,"C1CC2(NC3=C(N2C1=O)C=NC=C3)C4=CC=C(C=C4)Cl","SNDMFBBQLKLJOR-UHFFFAOYSA-N",375660,NA,"PDBC27160","655501","Present",NA,NA
+"27161","5a-Hydroxy-5aH,13H-benzo[g]chromeno[2,3-b]chromen-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5a-Hydroxy-5aH,13H-benzo[g]chromeno[2,3-b]chromen-13-one",NA,"C1=CC=C2C=C3C(=CC2=C1)C(=O)C4=CC5=CC=CC=C5OC4(O3)O","UXDPBIOUPVOTFT-UHFFFAOYSA-N",388323,NA,"PDBC27161","683058","Present",NA,NA
+"27162","5a-Hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-8-(3,4,5-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O","OUONRLWTLLDLLY-UHFFFAOYSA-N",353424,NA,"PDBC27162","601675","Present",NA,NA
+"27163","5a-Hydroxychromeno[2,3-b]chromen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5a-Hydroxychromeno[2,3-b]chromen-12-one",NA,"C1=CC=C2C(=C1)C=C3C(=O)C4=CC=CC=C4OC3(O2)O","QACREWIERLDDMW-UHFFFAOYSA-N",388319,NA,"PDBC27163","683054","Present",NA,NA
+"27164","5a-Methoxy-9-(2-methoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5a-Methoxy-9-(2-methoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,"COC1=CC=CC=C1C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC","WRLLJZYUHKBCFJ-UHFFFAOYSA-N",380086,NA,"PDBC27164","665484","Present",NA,NA
+"27165","5a-Methyl-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5a-Methyl-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one",NA,"CC12CCC(=O)N1C3=C(N2)C=CN=C3","QQUYWSUHHBUVPT-UHFFFAOYSA-N",375658,NA,"PDBC27165","655499","Present",NA,NA
+"27166","5a-Phenyl-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5a-Phenyl-5,5a,6,7-tetrahydro-8H-pyrrolo[2',1':2,3]imidazo[4,5-c]pyridin-8-one",NA,"C1CC2(NC3=C(N2C1=O)C=NC=C3)C4=CC=CC=C4","HRHNHWWNGRGAAL-UHFFFAOYSA-N",375659,NA,"PDBC27166","655500","Present",NA,NA
+"27167","5beta,6beta-Epoxyphysalin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Physalin F",NA,"CC12CC3C4(C56C1C(=O)C(O5)(C7CC8C9(O8)CC=CC(=O)C9(C7CCC6(C(=O)O4)O)C)OCC2C(=O)O3)C","VSLWNSSUMFSGFF-JIVVZTKCSA-N",6712226,NA,"PDBC27167","661115","Present",NA,NA
+"27168","5beta-(3,5-Dimethoxy-4-hydroxyphenyl)-9alpha-[[2-(2-hydroxyethylamino)ethyl]amino]-5,8,8abeta,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5aalphaH)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-5-[2-(2-hydroxyethylamino)ethylamino]-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCCNCCO","IHQGWVADRNDCKN-AZIXLERZSA-N",380414,NA,"PDBC27168","665935","Present",NA,NA
+"27169","5beta-Cholan-24-oic acid,12alpha-diol, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deoxycholic acid",NA,"CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]","AECTYFQKWPXOSR-DGMAEHPPSA-N",54608511,NA,"PDBC27169","681065","Present",NA,NA
+"27170","5h-Pyrido[3,4-b][1,4]benzothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-azaphenothiazine",NA,"C1=CC=C2C(=C1)NC3=C(S2)C=NC=C3","JAALLZGVBSLANN-UHFFFAOYSA-N",291128,NA,"PDBC27170","155698","Present",NA,NA
+"27171","5h-Thiazolo[3,2-c]pyrimidine-3,5(2h)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Thiazolo[3,2-c]pyrimidine-3,5-dione, 2,3-dihydro",NA,"C1C(=O)N2C(=CC=NC2=O)S1","CUFAARIIOXESJH-UHFFFAOYSA-N",377337,NA,"PDBC27171","658774","Present",NA,NA
+"27172","6',7'-Dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6',7'-Dimethylspiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione",NA,"CC1=C(C2=C(CC3(C2=O)CC4=C(C3=O)C=C5CCCC5=C4)C=C1)C","JLKLRLUBLZHTGH-UHFFFAOYSA-N",393821,NA,"PDBC27172","696642","Present",NA,NA
+"27173","6',7'-Dimethylspiro[3,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6',7'-Dimethylspiro[3,6,7,8-tetrahydro-as-indacene-2,2'-3H-indene]-1,1'-dione",NA,"CC1=C(C2=C(CC3(C2=O)CC4=C(C3=O)C5=C(CCC5)C=C4)C=C1)C","MUODGUZOSLYFPP-UHFFFAOYSA-N",393822,NA,"PDBC27173","696643","Present",NA,NA
+"27174","6'-(Bis(2-chloroethyl)amino)spiro(imidazolidine-4,1'-indan)-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro(imidazolidine-4,1'-(1H)indene)-2,5-dione, 6'-[bis(...",NA,"C1CC2(C3=C1C=CC(=C3)N(CCCl)CCCl)C(=O)NC(=O)N2","SLOOKLJYJCGNRB-UHFFFAOYSA-N",315310,NA,"PDBC27174","240386","Present",NA,NA
+"27175","6'-(Prop-2-enoxymethyl)spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-(Prop-2-enoxymethyl)spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]",NA,"C=CCOCC1C2C1C3(CC2)OCCO3","PPOBJUHQGZTBOQ-UHFFFAOYSA-N",390959,NA,"PDBC27175","689212","Present",NA,NA
+"27176","6'-Amino-2'-morpholin-4-yl-1'H,3-benzimidazole-2, 4'-pyrimidine]-5'carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Amino-2'-morpholin-4-yl-1'H,3H-spiro[1,3-benzimidazol...",NA,"C1COCCN1C2=NC3(C(=C(N2)N)C#N)NC4=CC=CC=C4N3","DTCMWHGGAASIBO-UHFFFAOYSA-N",24203661,NA,"PDBC27176","729037","Present",NA,NA
+"27177","6'-Amino-2'-morpholin-4-yl-1'H,3-benzothiazole-2, 4'-pyrimidine]-1',5'-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Amino-2'-morpholin-4-yl-1'H,3H-spiro[1,3-benzothiazol...",NA,"C1COCCN1C2=NC(=C(C3(C2C#N)NC4=CC=CC=C4S3)C#N)N","XSAIBKBTPGRANK-UHFFFAOYSA-N",24203822,NA,"PDBC27177","729680","Present",NA,NA
+"27178","6'-Amino-2'-morpholino-2',3'-tetrahydro spiro[benzoxazole-2,4'-pyrimidine]-5'-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Amino-2'-morpholino-2',3,3'-tetrahydro spiro[benzoxaz...",NA,"C1COCCN1C2=NC3(C(=C(N2)N)C#N)NC4=CC=CC=C4O3","KAIBBVSAONRHBM-UHFFFAOYSA-N",24203658,NA,"PDBC27178","729034","Present",NA,NA
+"27179","6'-Amino-2'-oxo-1,3,3'-tetrahydro-1'H-spiro[benzimidazole-2,4'-pyrimidine]-5'-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Amino-2'-oxo-1,2',3,3'-tetrahydro-1'H-spiro[benzimida...",NA,"C1=CC=C2C(=C1)NC3(N2)C(=C(NC(=O)N3)N)C#N","NMUPOFJLCTYFAS-UHFFFAOYSA-N",24203189,NA,"PDBC27179","727095","Present",NA,NA
+"27180","6'-Amino-2'-oxo-2',3H-spiro[1,3-benzothiazole-2, 4'-pyridine]3',5'-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6' -Amino-2'-oxo-2',3'-dihydro1'H,3H-spiro[1,3-benzothia...",NA,"C1=CC=C2C(=C1)NC3(S2)C(C(=O)NC(=C3C#N)N)C#N","MITAMBZBJDAGNV-UHFFFAOYSA-N",24203660,NA,"PDBC27180","729036","Present",NA,NA
+"27181","6'-Amino-2'-oxo-2',3H-spiro[1,3-benzothiazole-2, 4'-pyrimidine]-5'-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'- Amino-2'-oxo-2',3'-dihydro-1'H,3H-spiro[1,3-benzothi...",NA,"C1=CC=C2C(=C1)NC3(S2)C(=C(NC(=O)N3)N)C#N","QUAKQGMFVXKFGY-UHFFFAOYSA-N",24203439,NA,"PDBC27181","728030","Present",NA,NA
+"27182","6'-Amino-2'-thioxo-1',3,3'-tetrahydro-1H-spiro[benzimidaz ole-2,4'-pyrimidine]-5'-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Amino-2'-thioxo-1',2',3,3'-tetrahydro-1H-spiro[benzim...",NA,"C1=CC=C2C(=C1)NC3(N2)C(=C(NC(=S)N3)N)C#N","ZWKBHADRJUKWQT-UHFFFAOYSA-N",24203441,NA,"PDBC27182","728032","Present",NA,NA
+"27183","6'-Amino-2'-thioxo-1',3,3'-tetrahydro-1H-spiro[benzothiaz ol-2,4'-pyrimidine]-1',5'-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Amino-2'-thioxo-1',2',3,3'-tetrahydro-1H-spiro[benzot...",NA,"C1=CC=C2C(=C1)NC3(S2)C(C(=S)NC(=C3C#N)N)C#N","ROXZUKCCBBZMKY-UHFFFAOYSA-N",24203808,NA,"PDBC27183","729613","Present",NA,NA
+"27184","6'-Amino-2'-thioxo-2',3'-tetrahydro spiro[benzothiazole-2,4'-pyrimidine]-5'-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Amino-2'-thioxo-2',3,3'-tetrahydro spiro[benzothiazol...",NA,"C1=CC=C2C(=C1)NC3(S2)C(=C(NC(=S)N3)N)C#N","VWECLVSDAKTFBS-UHFFFAOYSA-N",24203655,NA,"PDBC27184","729031","Present",NA,NA
+"27185","6'-Amino-2'-thioxo-2',3'-tetrahydro spiro[benzoxazole-2,4'-pyrimidine]-5'-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Amino-2'-thioxo-2',3,3'-tetrahydro spiro[benzoxazole-...",NA,"C1=CC=C2C(=C1)NC3(O2)C(=C(NC(=S)N3)N)C#N","IGNKULLNNARJCD-UHFFFAOYSA-N",24203657,NA,"PDBC27185","729033","Present",NA,NA
+"27186","6'-Bromodihydropapaverine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Bromodihydropapaverine",NA,"COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3Br)OC)OC)OC","VTMKNFUOXXPXJN-UHFFFAOYSA-N",43029,NA,"PDBC27186","629156","Present",NA,NA
+"27187","6'-Chlorospiro[1,3-dithiane-2,8'-cyclobuta[b]chromene]-1',2'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-chlorospiro[1,3-dithiane-2,8'-cyclobuta[b]chromene]-1',2'-dione",NA,"C1CSC2(C3=C(C=CC(=C3)Cl)OC4=C2C(=O)C4=O)SC1","KONCZATTXZERKD-UHFFFAOYSA-N",389277,NA,"PDBC27187","685030","Present",NA,NA
+"27188","6'-Hydroxy-12'-methylspiro[cyclohexane-1,3'-pyrano[2,3-c]acridine]-7'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Hydroxy-12'-methylspiro[cyclohexane-1,3'-pyrano[2,3-c]acridine]-7'-one",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC5(CCCCC5)C=C4","FEICAOQEAFNNPO-UHFFFAOYSA-N",5465789,NA,"PDBC27188","662132","Present",NA,NA
+"27189","6'-Hydroxy-12'-methylspiro[cyclopentane-1,3'-pyrano[2,3-c]acridine]-7'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Hydroxy-12'-methylspiro[cyclopentane-1,3'-pyrano[2,3-c]acridine]-7'-one",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC5(CCCC5)C=C4","JIMTTZYAJQGBRG-UHFFFAOYSA-N",5465765,NA,"PDBC27189","660817","Present",NA,NA
+"27190","6(5H)-Phenanthridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthridone (misnomer)",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3NC2=O","RZFVLEJOHSLEFR-UHFFFAOYSA-N",1853,NA,"PDBC27190","61083","Present",NA,NA
+"27191","6,10-Diphenylspiro[2,6-diazapentacyclo[9.7.0.02,9.04,8.013,18]octadeca-1(11),9,13,15,17-pentaene-3,2'-indene]-1',3',5,7,12-pentone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diphenylspiro[[?]-[?],2'-indane]-1',3'-pentone",NA,"C1=CC=C(C=C1)C2=C3C4C(C(=O)N(C4=O)C5=CC=CC=C5)C6(N3C7=C2C(=O)C8=CC=CC=C87)C(=O)C9=CC=CC=C9C6=O","WEJWNZITXCLTGL-UHFFFAOYSA-N",394796,NA,"PDBC27191","698598","Present",NA,NA
+"27192","6,10-Imino-5H-cyclooct[b]indole-8-carboxylic acid, 6,7,8,9,10,11-hexahydro-5,12-dimethyl-9-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,16-dimethyl-13-oxo-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-14-carboxylate",NA,"CN1C2CC(C(=O)C1CC3=C2N(C4=CC=CC=C34)C)C(=O)OC","WNXNUATXQPWONG-UHFFFAOYSA-N",363933,NA,"PDBC27192","629421","Present",NA,NA
+"27193","6,10-Imino-8H-cyclooct[b]indole-8,8-dicarboxylic acid, 5,6,7,9,10,11-hexahydro-5-methyl-9-oxo-12-(phenylmethyl)-, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 16-benzyl-3-methyl-13-oxo-3,16-diazatetracyclo[10.3.1.02,10.04,9]hexadeca-2(10),4,6,8-tetraene-14,14-dicarboxylate",NA,"CN1C2=CC=CC=C2C3=C1C4CC(C(=O)C(C3)N4CC5=CC=CC=C5)(C(=O)OC)C(=O)OC","FKMBSMAQHJSSJI-UHFFFAOYSA-N",364140,NA,"PDBC27193","629812","Present",NA,NA
+"27194","6,11-Dihydroindazolo[1,2-b]phthalazin-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,11-Dihydroindazolo[1,2-b]phthalazin-13-one",NA,"C1C2=CC=CC=C2CN3N1C4=CC=CC=C4C3=O","SSYTYBGNQJIFQV-UHFFFAOYSA-N",384988,NA,"PDBC27194","675815","Present",NA,NA
+"27195","6,11-Dihydropyrido[3,4-c][1,5]benzodiazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,11-Dihydropyrido[3,4-c][1,5]benzodiazepin-5-one",NA,"C1=CC=C2C(=C1)NC3=C(C=NC=C3)C(=O)N2","DGAYLHSFCQSCHN-UHFFFAOYSA-N",360422,NA,"PDBC27195","622557","Present",NA,NA
+"27196","6,11-Diiodo-7,7,9-trimethoxy-3-methyl-1,2,4,6,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,11-Diiodo-7,7,9-trimethoxy-3-methyl-1,2,4,6,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline",NA,"CN1CCC23C4C(C(C=C2C1CC5=C(C=C(C(=C35)O4)OC)I)I)(OC)OC","QHFUCQIGYDHNPR-UHFFFAOYSA-N",398250,NA,"PDBC27196","707849","Present",NA,NA
+"27197","6,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CC1=CC2=C(C(=O)C=CC2=O)C3=C1C4=CC=CC=C4N3C","PHQKWTSPLGTTCW-UHFFFAOYSA-N",372650,NA,"PDBC27197","648147","Present",NA,NA
+"27198","6,11-Dimethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,11-dimethyl-4-(5-methyl-1H-benzo[d]imidazol-1-yl)-6,11...",NA,"CC1CC2=C(N=CN=C2N(C3=CC=CC=C13)C)N4C=NC5=C4C=CC(=C5)C","IVVDPBMPXSPFJZ-UHFFFAOYSA-N",155810655,NA,"PDBC27198","786144","Present",NA,NA
+"27199","6,11-Dimethylbenzimidazolo[1,2-b]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,11-Dimethylbenzimidazo[1,2-b]isoquinoline",NA,"CC1=C2C=CC=CC2=C(N3C1=NC4=CC=CC=C43)C","NEQHORGBYBHJJO-UHFFFAOYSA-N",378356,NA,"PDBC27199","660439","Present",NA,NA
+"27200","6,11-Dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,11-Dioxo-6,11-dihydrobenzo[f]pyrido[1,2-a]indole-12-carboxamide",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)N4C=CC=CC4=C3C(=O)N","LIEVOVKYUNEGFO-UHFFFAOYSA-N",256914,NA,"PDBC27200","84493","Present",NA,NA
+"27201","6,12-Diamino-20,27-dichloro-19,28-dimethyl-2,2,16,16-tetraoxo-2lambda6,16lambda6,23,24-tetrathia-3,5,7,8,10,11,13,15-octazapentacyclo[23.4.0.04,8.010,14.017,22]nonacosa-1(25),4,6,11,13,17(22),18,20,26,28-decaen-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,12-Diamino-20,27-dichloro-19,28-dimethyl-2,2,16,16-tetraoxo-2lambda6,16lambda6,23,24-tetrathia-3,5,7,8,10,11,13,15-octazapentacyclo[23.4.0.04,8.010,14.017,22]nonacosa-1(25),4,6,11,13,17(22),18,20,26",NA,"CC1=CC2=C(C=C1Cl)SSC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)NC4=NC(=NN4C(N5C(=NC(=N5)N)NS2(=O)=O)O)N","FZAIJRHAHWCFOZ-UHFFFAOYSA-N",378474,NA,"PDBC27201","661074","Present",NA,NA
+"27202","6,12-Dibenzyl-5,13-dioxo-3,9,15-trioxa-6,12-diazaheptadecane-1,17-dioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,12-Dibenzyl-5,13-dioxo-3,9,15-trioxa-6,12-diazaheptadecane-1,17-dioic acid",NA,"C1=CC=C(C=C1)CN(CCOCCN(CC2=CC=CC=C2)C(=O)COCC(=O)O)C(=O)COCC(=O)O","GYRKUHYKCILIAT-UHFFFAOYSA-N",379471,NA,"PDBC27202","664025","Present",NA,NA
+"27203","6,12-Diisopropyl-5,11-dihydroindolo[3,2-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,12-Diisopropyl-5,11-dihydroindolo[3,2-b]carbazole",NA,"CC(C)C1=C2C3=CC=CC=C3NC2=C(C4=C1NC5=CC=CC=C54)C(C)C","WAXSYYFKSHNHBE-UHFFFAOYSA-N",369621,NA,"PDBC27203","641534","Present",NA,NA
+"27204","6,12-Dimethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,12-Dimethyl-5H-naphtho[2,3-a]carbazole-5,13(12H)-dione",NA,"CC1=CC2=C(C3=C1C(=O)C4=CC=CC=C4C3=O)N(C5=CC=CC=C52)C","JIQCZCPEXMBTSV-UHFFFAOYSA-N",372654,NA,"PDBC27204","648151","Present",NA,NA
+"27205","6,13-Bis(benzyloxy)-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,13-Bis(benzyloxy)-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione",NA,"CC1(CN=CC(C(=O)NC(CN=CC(C(=O)N1)(C)OCC2=CC=CC=C2)(C)C)(C)OCC3=CC=CC=C3)C","SEGFYKICHJQPLU-UHFFFAOYSA-N",374400,NA,"PDBC27205","652110","Present",NA,NA
+"27206","6,13-Bis[2-(prop-2-ynylamino)ethyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,7-Bis-(2-prop-2-ynylamino-ethyl)-benzo[lmn][3,8]phenan...",NA,"C#CCNCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCNCC#C)C1=O","PMVFXJUZOWVBLJ-UHFFFAOYSA-N",155808176,NA,"PDBC27206","754336","Present",NA,NA
+"27207","6,13-Diethyl-6,13-dihydro-5,6,7,12,13,14-hexaaza-pentacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,13-Diethyl-6,13-dihydro-5,6,7,12,13,14-hexaaza-pentacene",NA,"CCN1C2=NC3=CC=CC=C3N=C2N(C4=NC5=CC=CC=C5N=C41)CC","ZPGQLUVVMRPZHE-UHFFFAOYSA-N",381314,NA,"PDBC27207","667755","Present",NA,NA
+"27208","6,13-Dihydrobenzo[h][1,3]dioxolo[4,5-b]acridin-7(5h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dioxa-12-azapentacyclo[11.8.0.03,11.05,9.014,19]henicosa-1(13),3,5(9),10,14,16,18-heptaen-2-one",NA,"C1CC2=C(C3=CC=CC=C31)NC4=CC5=C(C=C4C2=O)OCO5","OOMKPZBFYSEJHI-UHFFFAOYSA-N",373174,NA,"PDBC27208","649123","Present",NA,NA
+"27209","6,13-Dimethoxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,13-Dimethoxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene-5,12-dione",NA,"CC1(CN=CC(C(=O)NC(CN=CC(C(=O)N1)(C)OC)(C)C)(C)OC)C","UHZFQYYITQQTCZ-UHFFFAOYSA-N",374399,NA,"PDBC27209","652109","Present",NA,NA
+"27210","6,13-Dimethoxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradecane-5,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,13-Dimethoxy-3,3,6,10,10,13-hexamethyl-1,4,8,11-tetraazacyclotetradecane-5,12-dione",NA,"CC1(CNCC(C(=O)NC(CNCC(C(=O)N1)(C)OC)(C)C)(C)OC)C","XZHCFUDUNBPION-UHFFFAOYSA-N",373030,NA,"PDBC27210","648863","Present",NA,NA
+"27211","6,13-Methano-13H-dibenz[d,h][1,6,3]oxathiazonine, 6,7-dihydro-6-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,13-Methano-13H-dibenz[d,h][1,6,3]oxathiazonine, 6,7-dihydro-6-methyl-",NA,"CC12CC(C3=CC=CC=C3O1)SC4=CC=CC=C4N2","BQTQFFNTULIAGG-UHFFFAOYSA-N",365382,NA,"PDBC27211","632989","Present",NA,NA
+"27212","6,17,17-Trimethyl-5-phenylmethoxy-12,16-dioxa-7-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,17,17-Trimethyl-5-phenylmethoxy-12,16-dioxa-7-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione",NA,"CC1=C(C=C2C(=N1)C(=O)C3=C(C2=O)C(OC4C3OC(=O)C4)(C)C)OCC5=CC=CC=C5","ZJZKBFWBMRASKX-UHFFFAOYSA-N",387285,NA,"PDBC27212","680936","Present",NA,NA
+"27213","6,2-d][1,3]Thiazolo[3,2-a]pyrimidin-9(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dihydropyrrolo[3,2-d][1,3]thiazolo[3,2-a]pyrimidin-9...",NA,"C1CSC2=NC3=C(C(=O)N21)NC=C3","NIEOGBLOEWVJTJ-UHFFFAOYSA-N",24205300,NA,"PDBC27213","734975","Present",NA,NA
+"27214","6,20-Di(acridin-9-yl)-13-[4-[[3,5-bis[(3,5-ditert-butylphenyl)methoxy]phenyl]methoxy]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,20-Di(acridin-9-yl)-13-[4-[[3,5-bis[(3,5-ditert-butylphenyl)methoxy]phenyl]methoxy]phenyl]-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene",NA,"CC(C)(C)C1=CC(=CC(=C1)COC2=CC(=CC(=C2)COC3=CC=C(C=C3)C4=C5CCC6=C(C5=NC7=C4CCC8=C7C=C(C=C8)C9=C1C=CC=CC1=NC1=CC=CC=C19)C=C(C=C6)C1=C2C=CC=CC2=NC2=CC=CC=C21)OCC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C","ULDCINDBZNMZDJ-UHFFFAOYSA-N",16129928,NA,"PDBC27214","700533","Present",NA,NA
+"27215","6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,20-Dibromo-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaene",NA,"C1CC2=CC3=C(C4=C(CC3)C=CC(=C4)Br)N=C2C5=C1C=CC(=C5)Br","IXYGKUPFKSIHOL-UHFFFAOYSA-N",395732,NA,"PDBC27215","700531","Present",NA,NA
+"27216","6,20-Ditert-butyl-10,13,16-trioxa-3lambda6,23lambda6-dithia-2,24-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4(9),5,7,17(22),18,20,25,27-nonaene 3,3,23,23-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,20-Ditert-butyl-10,13,16-trioxa-3lambda6,23lambda6-dithia-2,24-diazatetracyclo[23.3.1.04,9.017,22]nonacosa-1(29),4(9),5,7,17(22),18,20,25,27-nonaene 3,3,23,23-tetraoxide",NA,"CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C(C=C(C=C3)C(C)(C)C)S(=O)(=O)NC4=CC=CC(=C4)NS2(=O)=O","FILOFJODFBROAW-UHFFFAOYSA-N",360740,NA,"PDBC27216","623079","Present",NA,NA
+"27217","6,20-Ditert-butyl-3,10,13,16,23-pentaoxa-26,27,28-triazatetracyclo[23.2.1.04,9.017,22]octacosa-1(28),4(9),5,7,17(22),18,20,25-octaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,20-Ditert-butyl-3,10,13,16,23-pentaoxa-26,27,28-triazatetracyclo[23.2.1.04,9.017,22]octacosa-1(28),4(9),5,7,17(22),18,20,25-octaene",NA,"CC(C)(C)C1=CC2=C(C=C1)OCCOCCOC3=C(C=C(C=C3)C(C)(C)C)OCC4=NNC(=N4)CO2","PDNKHMUOJIIFNM-UHFFFAOYSA-N",389005,NA,"PDBC27217","684444","Present",NA,NA
+"27218","6,22-Dibromo-2,26-diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4(9),5,7,13,15,19(24),20,22,25-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,22-Dibromo-2,26-diazahexacyclo[12.12.0.03,12.04,9.016,25.019,24]hexacosa-1,3(12),4(9),5,7,13,15,19(24),20,22,25-undecaene",NA,"C1CC2=CC3=CC4=C(C5=C(CC4)C=CC(=C5)Br)N=C3N=C2C6=C1C=CC(=C6)Br","WKYNXFNSJYKIGK-UHFFFAOYSA-N",395725,NA,"PDBC27218","700524","Present",NA,NA
+"27219","6,24-Dimethyl-3,15,27-trithia-6,24-diazaheptacyclo[14.11.0.02,14.04,13.07,12.017,26.018,23]heptacosa-1(16),2(14),4(13),7,9,11,17(26),18,20,22-decaene-5,25-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,24-Dimethyl-3,15,27-trithia-6,24-diazaheptacyclo[14.11.0.02,14.04,13.07,12.017,26.018,23]heptacosa-1(16),2(14),4(13),7,9,11,17(26),18,20,22-decaene-5,25-dione",NA,"CN1C2=CC=CC=C2C3=C(C1=O)SC4=C3SC5=C4SC6=C5C7=CC=CC=C7N(C6=O)C","CKFGCDGCXMYTKW-UHFFFAOYSA-N",391100,NA,"PDBC27219","689718","Present",NA,NA
+"27220","6,3-Dimethoxy-5,11-dioxo-6-methyl-5H-indeno[1,2-c]isoquinoline-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,11-Dihydro-2,3-dimethoxy-5,11-dioxo-6-methyl-5H-indeno...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=C2C=CC(=C4)C#N","TXKLQNMNNHXLNX-UHFFFAOYSA-N",45027889,NA,"PDBC27220","734293","Present",NA,NA
+"27221","6,4' Dihydroxy flavone 7-o rhamnoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8 Dimethoxy  5,4' dihydroxy flavone 7-o rhamnoside",NA,"CC1C(C(C(C(O1)OC2=C(C(=C3C(=O)C=C(OC3=C2OC)C4=CC=C(C=C4)O)O)OC)O)O)O","NRONFVSSFSHDMS-UHFFFAOYSA-N",24205317,NA,"PDBC27221","735007","Present",NA,NA
+"27222","6,4-Di-N-oxide-2-bencyloxicarbonyl-3methylquinox aline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-difluor-1,4-di-N-oxide-2-bencyloxicarbonyl-3methylqu...",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)OCC3=CC=CC=C3","BFOBPUXZPPPYES-UHFFFAOYSA-N",405496,NA,"PDBC27222","722853","Present",NA,NA
+"27223","6,4-Di-N-oxide-3-trifluoromethylquinoxalin-2-ph enylcarbonil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dichloro-1,4-di-N-oxide-3-trifluoromethylquinoxalin-...",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)Cl)Cl)[O-])C(F)(F)F","BIABZTJAETYPMO-UHFFFAOYSA-N",404699,NA,"PDBC27223","721143","Present",NA,NA
+"27224","6,4-Di-N-oxide-3-trifluoromethylquinoxalin-2-yl-phenylketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dimethyl-1,4-di-N-oxide-3-trifluoromethylquinoxalin-...",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C3=CC=CC=C3","PZDDPPQVVOLKQK-UHFFFAOYSA-N",404584,NA,"PDBC27224","720933","Present",NA,NA
+"27225","6,4-Dioxyquinoxaline-2-carboxylic acid 4-methoxybenzylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Difluoro-3-methyl-1,4-dioxyquinoxaline-2-carboxylic ...",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C(=O)NCC3=CC=C(C=C3)OC","DFMKJCWZCAPMDC-UHFFFAOYSA-N",46885175,NA,"PDBC27225","744579","Present",NA,NA
+"27226","6,6',7-Trimethoxy-2,2'-dimethylberbaman-12-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pycnamine///NSC766769",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC","DFOCUWZXJBAUSQ-UHFFFAOYSA-N",10170,NA,"PDBC27226","105131///766769","Present",NA,NA
+"27227","6,6'-Bis(2-oxo-2-pyridin-3-ylethyl)-5H,5'H-3,3'-biimidazo[2,1-c][1,2,4]triazole-5,5'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-Oxo-6-(2-oxo-2-pyridin-3-ylethyl)imidazo[2,1-c][1,2,4]triazol-3-yl]-6-(2-oxo-2-pyridin-3-ylethyl)imidazo[2,1-c][1,2,4]triazol-5-one",NA,"C1=CC(=CN=C1)C(=O)CC2=NC3=NN=C(N3C2=O)C4=NN=C5N4C(=O)C(=N5)CC(=O)C6=CN=CC=C6","SYKGJVXYDJUTMC-UHFFFAOYSA-N",362241,NA,"PDBC27227","625845","Present",NA,NA
+"27228","6,6'-Dimethoxy-2,2'-dimethylberbaman-7,12-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1'.BETA.)-6,6'-DIMETHOXY-2,2'-DIMETHYLBERBAMAN-7,12-DIOL",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)O)OC","XGEAUXVPBXUBKN-UHFFFAOYSA-N",98409,NA,"PDBC27228","251534","Present",NA,NA
+"27229","6,6'-METHOXYGOSSYPOL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-METHOXYGOSSYPOL",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)OC)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)OC)C(C)C)O)O","OUHOXIPLBJIWEG-UHFFFAOYSA-N",375713,NA,"PDBC27229","655651","Present",NA,NA
+"27230","6,6'-Methylenebis(1,2-dihydro-2,2,4-trimethylquinoline)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline, 6,6'-methylenebis[1,2-dihydro-2,2,4-trimethyl]-",NA,"CC1=CC(NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)NC(C=C4C)(C)C)(C)C","ADHZMOYUJKFKSE-UHFFFAOYSA-N",99342,NA,"PDBC27230","217697","Present",NA,NA
+"27231","6,6'-[1,3-Phenylenedi(carbonyl)]bis(2-phenyl-1H-benzo[de]isoquinoline-1,3(2H)-dione)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(1,3-Dioxo-2-phenylbenzo[de]isoquinoline-6-carbonyl)benzoyl]-2-phenylbenzo[de]isoquinoline-1,3-dione",NA,"C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)C(=O)C5=CC(=CC=C5)C(=O)C6=C7C=CC=C8C7=C(C=C6)C(=O)N(C8=O)C9=CC=CC=C9)C=CC=C4C2=O","CEAHUGSDLGWDBT-UHFFFAOYSA-N",377201,NA,"PDBC27231","658432","Present",NA,NA
+"27232","6,6,13,13-Tetrachlorodibenzo[d,i][1,3,6,8,2,7]tetraoxadisilecine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6,13,13-Tetrachlorodibenzo[d,i][1,3,6,8,2,7]tetraoxadisilecine",NA,"C1=CC=C2C(=C1)O[Si](OC3=CC=CC=C3O[Si](O2)(Cl)Cl)(Cl)Cl","BYFUAXVVABEMTE-UHFFFAOYSA-N",370228,NA,"PDBC27232","642998","Present",NA,NA
+"27233","6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione;(3,4,5,6-tetrahydroxyoxan-2-yl)methanolate;titanium(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(D-glucose-6-olato)bis(6,6,7,7,8,8,8-heptafluorine-2,...",NA,"CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)[CH-]C(=O)C(C(C(F)(F)F)(F)F)(F)F.C(C1C(C(C(C(O1)O)O)O)O)[O-].C(C1C(C(C(C(O1)O)O)O)O)[O-].[Ti+4]","DRSDZFHGTGKHHT-UHFFFAOYSA-N",368532,NA,"PDBC27233","639605","Present",NA,NA
+"27234","6,6,7a-Trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6,7a-Trimethylhexahydro-4aH-cyclopropa[g][1,4]benzoxathiin-2(3H)-one",NA,"CC1(C2C1CC3(C(C2)SCC(=O)O3)C)C","YOBUCQAMBRSDSP-UHFFFAOYSA-N",375776,NA,"PDBC27234","655929","Present",NA,NA
+"27235","6,6,8,8-Tetramethyl-2,12-dioxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6,8,8-Tetramethyl-2,12-dioxabicyclo[11.3.1]heptadeca-1(17),13,15-trien-7-one",NA,"CC1(CCCOC2=CC(=CC=C2)OCCCC(C1=O)(C)C)C","PXUBPGIVFPBYOO-UHFFFAOYSA-N",380222,NA,"PDBC27235","665698","Present",NA,NA
+"27236","6,6,9-Tribromo-1,2-dimethoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6,9-Tribromo-1,2-dimethoxy-6,7,8,9-tetrahydro-benzocyclohepten-5-one",NA,"COC1=C(C2=C(C=C1)C(=O)C(CCC2Br)(Br)Br)OC","MJUQVXUAECCTNH-UHFFFAOYSA-N",402673,NA,"PDBC27236","716859","Present",NA,NA
+"27237","6,6-Bis(4-(dimethylamino)phenyl)-N,N-diethyl-6H-pyrimido[2,1-b]quinazolin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Bis(4-(dimethylamino)phenyl)-N,N-diethyl-6H-pyrimido[2,1-b]quinazolin-9-amine",NA,"CCN(CC)C1=CC2=C(C=C1)C(N3C=CC=NC3=N2)(C4=CC=C(C=C4)N(C)C)C5=CC=C(C=C5)N(C)C","HUOQQFFXXLUUDW-UHFFFAOYSA-N",363359,NA,"PDBC27237","628242","Present",NA,NA
+"27238","6,6-Bis(benzyloxy)-7-((tert-butoxycarbonyl)amino)-2-oxabicyclo[2.2.1]hept-3-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Bis(benzyloxy)-7-((tert-butoxycarbonyl)amino)-2-oxabicyclo[2.2.1]hept-3-yl acetate",NA,"CC(=O)OC1C2CC(C(C2NC(=O)OC(C)(C)C)O1)(OCC3=CC=CC=C3)OCC4=CC=CC=C4","KESHEDNZAORXJW-UHFFFAOYSA-N",368604,NA,"PDBC27238","639713","Present",NA,NA
+"27239","6,6-Bis(p-methoxyphenyl)fulvene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK279206",NA,"COC1=CC=C(C=C1)C(=C2C=CC=C2)C3=CC=C(C=C3)OC","ZTPIYEQWTZQQCA-UHFFFAOYSA-N",392607,NA,"PDBC27239","693147","Present",NA,NA
+"27240","6,6-Dibromo-2-methoxy-3-nitro-8,9-dihydro-7H-benzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Benzocyclohepten-5-one, 6,6-dibromo-6,7,8,9-tetrahydr...",NA,"COC1=C(C=C2C(=C1)CCCC(C2=O)(Br)Br)[N+](=O)[O-]","FSROCAZULZUTJL-UHFFFAOYSA-N",325767,NA,"PDBC27240","295085","Present",NA,NA
+"27241","6,6-Dibromo-5H-dibenzo[a,c]cycloheptene-5,7(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dibromo-5H-dibenzo[a,c]cycloheptene-5,7(6H)-dione",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C(C2=O)(Br)Br","INTRKBKDQDYPHE-UHFFFAOYSA-N",363748,NA,"PDBC27241","628940","Present",NA,NA
+"27242","6,6-Dichloro-1-methyl-3-[2,4,6-tri(propan-2-yl)phenyl]-3lambda5-phosphabicyclo[3.1.0]hexane 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dichloro-1-methyl-3-(2,4,6-triisopropylphenyl)-3$l5-phosphabicyclo[3.1.0]hexane 3-oxide",NA,"CC(C)C1=CC(=C(C(=C1)C(C)C)P2(=O)CC3C(C2)(C3(Cl)Cl)C)C(C)C","PKOMNWPTRSMZCM-UHFFFAOYSA-N",398926,NA,"PDBC27242","709160","Present",NA,NA
+"27243","6,6-Dichloro-1-methyl-3-phenyl-3-phosphabicyclo[3.1.0]hexane 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dichloro-1-methyl-3-phenyl-3-phosphabicyclo[3.1.0]hexane 3-oxide",NA,"CC12CP(=O)(CC1C2(Cl)Cl)C3=CC=CC=C3","NEBYAFGQIRDZDL-UHFFFAOYSA-N",361314,NA,"PDBC27243","624330","Present",NA,NA
+"27244","6,6-Dichloro-1-methyl-3-phosphabicyclo[3.1.0]hexan-3-ol 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dichloro-1-methyl-3-phosphabicyclo[3.1.0]hexan-3-ol 3-oxide",NA,"CC12CP(=O)(CC1C2(Cl)Cl)O","YEONZVOQHFKRQB-UHFFFAOYSA-N",378418,NA,"PDBC27244","660837","Present",NA,NA
+"27245","6,6-Dichloro-3-methoxy-1-methyl-3-phosphabicyclo[3.1.0]hexane 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dichloro-3-methoxy-1-methyl-3-phosphabicyclo[3.1.0]hexane 3-oxide",NA,"CC12CP(=O)(CC1C2(Cl)Cl)OC","QRKRKVKQGRLRPQ-UHFFFAOYSA-N",361315,NA,"PDBC27245","624331","Present",NA,NA
+"27246","6,6-Diethoxy-2-(trifluoromethyl)-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Diethoxy-2-(trifluoromethyl)-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-one",NA,"CCOP12(C(C3=CC=CC=C3O1)(OC(=O)N2)C(F)(F)F)OCC","MHGCPAWHYYAZJL-UHFFFAOYSA-N",375822,NA,"PDBC27246","656070","Present",NA,NA
+"27247","6,6-Dimethoxy-2-(trifluoromethyl)-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dimethoxy-2-(trifluoromethyl)-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-trien-4-one",NA,"COP12(C(C3=CC=CC=C3O1)(OC(=O)N2)C(F)(F)F)OC","DVFMOKKLWDULND-UHFFFAOYSA-N",375821,NA,"PDBC27247","656069","Present",NA,NA
+"27248","6,6-Dimethyl-1-(3-nonylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dimethyl-1-(3-nonylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride",NA,"CCCCCCCCCC1=CC(=CC=C1)N2C(=NC(=NC2(C)C)N)N.Cl","LXYSMRWCLAIETP-UHFFFAOYSA-N",354440,NA,"PDBC27248","606398","Present",NA,NA
+"27249","6,6-Dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride",NA,"CC1(N=C(N=C(N1CCCCC2=CC=CC=C2)N)N)C.Cl","FGTPCWJUDVKRLB-UHFFFAOYSA-N",5351906,NA,"PDBC27249","88903","Present",NA,NA
+"27250","6,6-Dimethyl-1-[3-(2-phenylethyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-dimethyl-1-(3-phenethylphenyl)-1,6-dihydro-1,3,5-tri...",NA,"CC1(N=C(N=C(N1C2=CC=CC(=C2)CCC3=CC=CC=C3)N)N)C.Cl","LLBRPDORMFSQIC-UHFFFAOYSA-N",24191777,NA,"PDBC27250","127752","Present",NA,NA
+"27251","6,6-Dimethyl-1-[3-(4-phenoxybutyl)phenyl]-1,3,5-triazine-2,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[m-(4...",NA,"CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCOC3=CC=CC=C3)N)N)C.Cl","ODTCOBXGUJEZPN-UHFFFAOYSA-N",24191779,NA,"PDBC27251","127754","Present",NA,NA
+"27252","6,6-Dimethyl-13-thia-3-azatetracyclo[5.5.1.01,9.03,7]tridecan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dimethyl-13-thia-3-azatetracyclo[5.5.1.01,9.03,7]tridecan-2-one",NA,"CC1(CCN2C13CC4CCCC4(C2=O)S3)C","YNWINBYEJRPYBT-UHFFFAOYSA-N",397461,NA,"PDBC27252","705319","Present",NA,NA
+"27253","6,6-Dimethyl-2,10-dimethylidene-4,8-dioxadispiro[4.1.47.35]tetradecane-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dimethyl-2,10-dimethylidene-4,8-dioxadispiro[4.1.47.35]tetradecane-3,9-dione",NA,"CC1(C2(CCCC13CC(=C)C(=O)O3)CC(=C)C(=O)O2)C","MNOOTCTZYTWUSS-UHFFFAOYSA-N",318804,NA,"PDBC27253","258625","Present",NA,NA
+"27254","6,6-Dimethyl-3-(2-thioxo-pyrrolidin-3-ylmethylene)-piperidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dimethyl-3-(2-thioxo-pyrrolidin-3-ylmethylene)-piperidine-2,4-dione",NA,"CC1(CC(=O)C(=CC2CCNC2=S)C(=O)N1)C","SFOQPFHYQQRLHU-YVMONPNESA-N",5937786,NA,"PDBC27254","658283","Present",NA,NA
+"27255","6,6-Dimethyl-5,8-dihydro-6H-9-oxa-7-thia-1,3-diaza-fluoren-4-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-Dimethyl-5,8-dihydro-6H-9-oxa-7-thia-1,3-diaza-fluoren-4-ylamine",NA,"CC1(CC2=C(CS1)OC3=NC=NC(=C23)N)C","IUZVEGWNJWSLRB-UHFFFAOYSA-N",372823,NA,"PDBC27255","648485","Present",NA,NA
+"27256","6,6a,12,12a-Tetrahydrobenzo[a]anthracene-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC408539",NA,"C1C2C(CC(=O)C3=CC=CC=C23)C(=O)C4=CC=CC=C41","SZWDLRJCWKYPSQ-UHFFFAOYSA-N",348994,NA,"PDBC27256","408539","Present",NA,NA
+"27257","6,7,16,17-Tetramethyl-5,11,15-trithia-1,3,10,13-tetrazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-2,4(8),6,12,14(18),16-hexaene-9,19-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,16,17-Tetramethyl-5,11,15-trithia-1,3,10,13-tetrazapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-2,4(8),6,12,14(18),16-hexaene-9,19-dione",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)N4C(=O)C5=C(N=C4S3)SC(=C5C)C)C","UQVUCGVTIAUCEI-UHFFFAOYSA-N",396923,NA,"PDBC27257","704104","Present",NA,NA
+"27258","6,7,7-Triphenylbicyclo[3.2.0]hept-2-en-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,7-Triphenylbicyclo[3.2.0]hept-2-en-6-ol",NA,"C1C=CC2C1C(C2(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)O","YZUUYMMQSJASJE-UHFFFAOYSA-N",346172,NA,"PDBC27258","404287","Present",NA,NA
+"27259","6,7,8'-Tris(dimethylamino)-1,2-diphenylspiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8'-Tris(dimethylamino)-1,2-diphenylspiro[1,2-dihydrophenalene-3,4'-naphthalene]-1'-one",NA,"CN(C)C1=C2C(=CC=C3C2=C(C=C1)C(C(C34C=CC(=O)C5=C4C=CC=C5N(C)C)C6=CC=CC=C6)C7=CC=CC=C7)N(C)C","GUVWPRTVRQTUFV-UHFFFAOYSA-N",383781,NA,"PDBC27259","672228","Present",NA,NA
+"27260","6,7,8,10,10a,11-Hexahydro-5H-[1]benzothiolo[5,6-a]indolizin-9-ium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8,10,10a,11-Hexahydro-5H-[1]benzothiolo[5,6-a]indolizin-9-ium;trifluoromethanesulfonate",NA,"C1CC[N+]2=C(C1)C3=CC4=C(CC3C2)SC=C4.C(F)(F)(F)S(=O)(=O)[O-]","XLOFBVDAEULHJL-UHFFFAOYSA-M",397953,NA,"PDBC27260","707028","Present",NA,NA
+"27261","6,7,8,10,10a,11-Hexahydro-5H-[1]benzothiolo[6,5-a]indolizin-9-ium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8,10,10a,11-Hexahydro-5H-[1]benzothiolo[6,5-a]indolizin-9-ium;trifluoromethanesulfonate",NA,"C1CC[N+]2=C(C1)C3=CC4=C(CC3C2)C=CS4.C(F)(F)(F)S(=O)(=O)[O-]","ADFBUJKUBUBDIL-UHFFFAOYSA-M",397951,NA,"PDBC27261","707027","Present",NA,NA
+"27262","6,7,8,9,10,11,12,13,14,15-Decahydrocyclododeca[g]pteridine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8,9,10,11,12,13,14,15-Decahydrocyclododeca[g]pteridine-2,4-diamine",NA,"C1CCCCCC2=C(CCCC1)N=C3C(=NC(=NC3=N2)N)N","DALYAYWASLGRMT-UHFFFAOYSA-N",311931,NA,"PDBC27262","219498","Present",NA,NA
+"27263","6,7,8,9-Tetrafluoro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8,9-Tetrafluoro-2,3-dihydroimidazo[2,1-b][1,3]benzothiazin-5-one",NA,"C1CN2C(=O)C3=C(C(=C(C(=C3SC2=N1)F)F)F)F","XAUUAHZXDUBTFR-UHFFFAOYSA-N",383500,NA,"PDBC27263","671885","Present",NA,NA
+"27264","6,7,8,9-Tetrafluoro-5H-imidazo[2,1-b][1,3]benzothiazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8,9-Tetrafluoro-5H-imidazo[2,1-b][1,3]benzothiazin-5-one",NA,"C1=CN2C(=O)C3=C(C(=C(C(=C3SC2=N1)F)F)F)F","PDYJWECYSBQFPG-UHFFFAOYSA-N",383499,NA,"PDBC27264","671884","Present",NA,NA
+"27265","6,7,8,9-Tetrahydro-1H-pyrimido[5',4':3,4]pyrrolo[1,2-a]azepine-2,4(3H,5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6,9-Triazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-3,5-dione",NA,"C1CCC2=C3C(=CN2CC1)NC(=O)NC3=O","ACODYNGKSKENBG-UHFFFAOYSA-N",394194,NA,"PDBC27265","697463","Present",NA,NA
+"27266","6,7,8,9-Tetrahydro-5H-dibenzo[c,g]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM117766877",NA,"C1CC2=C(C3=CC=CC=C31)C4=C(N2)CCC5=CC=CC=C54","CHMSQWXOEBBYGI-UHFFFAOYSA-N",378060,NA,"PDBC27266","659751","Present",NA,NA
+"27267","6,7,8,9-Tetrahydro-5H-pyrazolo[1,2-a]diazepin-3-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8,9-Tetrahydro-5H-pyrazolo[1,2-a]diazepin-3-one",NA,"C1CCN2C=CC(=O)N2CC1.Cl","SJNRIGACLLWBOM-UHFFFAOYSA-N",385003,NA,"PDBC27267","675834","Present",NA,NA
+"27268","6,7,8,9-Tetrahydro-6-(4-methoxybenzylidene)-5H-benzocycloheptene-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8,9-Tetrahydro-6-(4-methoxybenzylidene)-5H-benzocycloheptene-5-one",NA,"COC1=CC=C(C=C1)C=C2CCCC3=CC=CC=C3C2=O","RVHBOFDLRWNNMW-DTQAZKPQSA-N",5351433,NA,"PDBC27268","687667","Present",NA,NA
+"27269","6,7,8,9-Tetrakis[(4-chlorophenyl)sulfanyl]-2,3-dihydrobenzo[g][1,4]benzodithiine-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8,9-Tetrakis[(4-chlorophenyl)sulfanyl]-2,3-dihydrobenzo[g][1,4]benzodithiine-5,10-dione",NA,"C1CSC2=C(S1)C(=O)C3=C(C2=O)C(=C(C(=C3SC4=CC=C(C=C4)Cl)SC5=CC=C(C=C5)Cl)SC6=CC=C(C=C6)Cl)SC7=CC=C(C=C7)Cl","ORFVLGXNFZNFEX-UHFFFAOYSA-N",388897,NA,"PDBC27269","684127","Present",NA,NA
+"27270","6,7,8-Trioxabicyclo[3.2.1]oct-2-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8-Trioxabicyclo[3.2.1]oct-2-yl acetate",NA,"CC(=O)OC1CCC2OC1OO2","SRNSUEFQKGIEPL-UHFFFAOYSA-N",360969,NA,"PDBC27270","623700","Present",NA,NA
+"27271","6,7,8-Trioxabicyclo[3.2.1]octan-4-yl 4-nitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,8-Trioxabicyclo[3.2.1]oct-2-yl 4-nitrobenzoate",NA,"C1CC2OC(C1OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OO2","MVGQRQHLQWUYRF-UHFFFAOYSA-N",360971,NA,"PDBC27271","623702","Present",NA,NA
+"27272","6,7,9,11-Tetramethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7,9,11-tetramethyl-4-(5-methyl-1H-benzo[d]imidazol-1-y...",NA,"CC1CC2=C(N=CN=C2N(C3=CC(=CC(=C13)C)C)C)N4C=NC5=C4C=CC(=C5)C","KDJHBDABEWHIRG-UHFFFAOYSA-N",155808593,NA,"PDBC27272","788711","Present",NA,NA
+"27273","6,7-Bis(1-adamantyl)-6,7-dimethyl-3-phenyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Bis(1-adamantyl)-6,7-dimethyl-3-phenyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione",NA,"CC1(C(N2N1C(=O)N(C2=O)C3=CC=CC=C3)(C)C45CC6CC(C4)CC(C6)C5)C78CC9CC(C7)CC(C9)C8","HHGMZZJKEWJEKB-UHFFFAOYSA-N",391631,NA,"PDBC27273","691117","Present",NA,NA
+"27274","6,7-Bis(4-methoxyphenyl)-1-methyl-2,2-dioxo-pyrazino[2,3-c][1,2,6]thiadiazin-4-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Bis(4-methoxyphenyl)-1-methyl-2,2-dioxo-pyrazino[2,3-c][1,2,6]thiadiazin-4-imine",NA,"CN1C2=NC(=C(N=C2C(=NS1(=O)=O)N)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","GPRRHLKURLZYPL-UHFFFAOYSA-N",374620,NA,"PDBC27274","652589","Present",NA,NA
+"27275","6,7-Bis(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Bis(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one",NA,"COC1=CC=C(C=C1)C2=C(C(=O)N3CCCC3C2)C4=CC=C(C=C4)OC","UAYCRIGNNUIBHW-UHFFFAOYSA-N",24202597,NA,"PDBC27275","707907","Present",NA,NA
+"27276","6,7-Bis(4-methoxyphenyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Bis(4-methoxyphenyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione",NA,"CN1C(=O)N2C(=C(N2C1=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","NNJMJNXEPXQRHE-UHFFFAOYSA-N",391628,NA,"PDBC27276","691114","Present",NA,NA
+"27277","6,7-Bromo-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-bromo-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) quina...",NA,"COC1=CC=CC(=C1)NC2=NC(=NC3=C2C=C(C=C3)Br)C4=CC=CS4","VSMNUHNIUVRJIN-UHFFFAOYSA-N",405780,NA,"PDBC27277","723423","Present",NA,NA
+"27278","6,7-Bromo-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2-thienyl)quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-bromo-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2- th...",NA,"C1CN(CCN1C2=CC=CC=C2C(F)(F)F)C3=NC(=NC4=C3C=C(C=C4)Br)C5=CC=CS5","ONEJMEZCNNEXJX-UHFFFAOYSA-N",405772,NA,"PDBC27278","723415","Present",NA,NA
+"27279","6,7-Bromo-4-[1-(phenyl)-4-piprazinyl]-2-(2-thienyl) quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-bromo-4-[1-(phenyl)-4-piprazinyl]-2-(2-thienyl) quin...",NA,"C1CN(CCN1C2=CC=CC=C2)C3=NC(=NC4=C3C=C(C=C4)Br)C5=CC=CS5","KKYGCYBYJXLYFU-UHFFFAOYSA-N",405771,NA,"PDBC27279","723414","Present",NA,NA
+"27280","6,7-Diacetoxy-4'-methoxyisoflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Diacetoxy-4'-methoxyisoflavan",NA,"CC(=O)OC1=C(C=C2C(=C1)CC(CO2)C3=CC=C(C=C3)OC)OC(=O)C","NQTGQJQEARMJCW-UHFFFAOYSA-N",353127,NA,"PDBC27280","600287","Present",NA,NA
+"27281","6,7-Diacetoxy-4'-methylisoflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Diacetoxy-4'-methylisoflavan",NA,"CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)OC(=O)C)OC(=O)C","INOCXFGIUNJNMC-UHFFFAOYSA-N",353128,NA,"PDBC27281","600288","Present",NA,NA
+"27282","6,7-Diacetoxy-4-methylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZS09RD1A9O",NA,"CC1=CC(=O)OC2=CC(=C(C=C12)OC(=O)C)OC(=O)C","JMRACYBIVVGICX-UHFFFAOYSA-N",148769,NA,"PDBC27282","688798","Present",NA,NA
+"27283","6,7-Diacetoxyisoflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Diacetoxyisoflavan",NA,"CC(=O)OC1=C(C=C2C(=C1)CC(CO2)C3=CC=CC=C3)OC(=O)C","YUFASPAYFKAVGR-UHFFFAOYSA-N",353129,NA,"PDBC27283","600289","Present",NA,NA
+"27284","6,7-Diamino-1,4-dihydroquinoxaline-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Quinoxalinediol, 6,7-diamino-",NA,"C1=C(C(=CC2=C1NC(=O)C(=O)N2)N)N","UQFVBUQKARNKBS-UHFFFAOYSA-N",381320,NA,"PDBC27284","667841","Present",NA,NA
+"27285","6,7-Dibromo-2,3-dichloro-3-(chloromethyl)-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dibromo-2,3-dichloro-3-(chloromethyl)-7-methyloct-1-ene",NA,"CC(C)(C(CCC(CCl)(C(=C)Cl)Cl)Br)Br","OIAPZPRVTLHFSD-UHFFFAOYSA-N",379564,NA,"PDBC27285","664246","Present",NA,NA
+"27286","6,7-Dibromo-3-(bromomethyl)-2,3-dichloro-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dibromo-3-(bromomethyl)-2,3-dichloro-7-methyloct-1-ene",NA,"CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Br","IMLDFYLIYLKGGB-UHFFFAOYSA-N",380127,NA,"PDBC27286","665533","Present",NA,NA
+"27287","6,7-Dibromo-3-(bromomethyl)-7-methyl-1-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dibromo-3-(bromomethyl)-7-methyl-1-octene",NA,"CC(C)(C(CCC(CBr)C=C)Br)Br","DDAFCJUPWFHYDG-UHFFFAOYSA-N",379042,NA,"PDBC27287","662813","Present",NA,NA
+"27288","6,7-Dibromo-3-(chloromethyl)-7-methyl-2-octenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dibromo-3-(chloromethyl)-7-methyl-2-octenyl acetate",NA,"CC(=O)OCC=C(CCC(C(C)(C)Br)Br)CCl.CC(=O)OCC=C(CCC(C(C)(C)Br)Br)CCl","ARMZUUZHULSRBM-CJUPLKJXSA-N",5468041,NA,"PDBC27288","662818","Present",NA,NA
+"27289","6,7-Dichloro-1,4-benzodioxan-2-methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-34411",NA,"C1C(OC2=CC(=C(C=C2O1)Cl)Cl)CO","YSKZPQPJOWLVSP-UHFFFAOYSA-N",16563,NA,"PDBC27289","663622","Present",NA,NA
+"27290","6,7-Dichloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dichloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=CC(=C(C=C3N2C(S1)C4=C(C=CC=C4F)F)Cl)Cl","UNWMWGMVLBGSJO-UHFFFAOYSA-N",384823,NA,"PDBC27290","675275","Present",NA,NA
+"27291","6,7-Dichloro-3-methyl-4-oxido-2-phenylsulfanylquinoxalin-1-ium 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dichloro-2-methyl-3-(phenylthio)quinoxaline 1,4-dioxide",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)SC3=CC=CC=C3","GUHFHLOCDAIDRQ-UHFFFAOYSA-N",10338132,NA,"PDBC27291","732317","Present",NA,NA
+"27292","6,7-Dichloro-8-hydroxy-5-quinolinesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dichloro-8-hydroxyquinoline-5-sulfonic acid",NA,"C1=CC2=C(C(=C(C(=C2S(=O)(=O)O)Cl)Cl)O)N=C1","WVHUFCQKUTVQNX-UHFFFAOYSA-N",395841,NA,"PDBC27292","700844","Present",NA,NA
+"27293","6,7-Dichloro-9H-fluoren-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dichloro-9H-fluoren-2-amine",NA,"C1C2=CC(=C(C=C2C3=C1C=C(C=C3)N)Cl)Cl","PAILPOTUYGAUEW-UHFFFAOYSA-N",254996,NA,"PDBC27293","80141","Present",NA,NA
+"27294","6,7-Dichloro-N-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dichloro-N-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide",NA,"C1CCN(C1)CCNC2CCC3=CC(=C(C=C3C2)Cl)Cl.Br","XMLNLNIMNUVLTB-UHFFFAOYSA-N",401833,NA,"PDBC27294","715547","Present",NA,NA
+"27295","6,7-Dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dichloro-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrobromide",NA,"CN(CCN1CCCC1)C2CCC3=CC(=C(C=C3C2)Cl)Cl.Br","NNHPVNNHUXQLPA-UHFFFAOYSA-N",401838,NA,"PDBC27295","715550","Present",NA,NA
+"27296","6,7-Dichloroquinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"da 3002",NA,"C1=CC2=C(C(=O)C(=C(C2=O)Cl)Cl)N=C1","TUWOPVCIIBKUQS-UHFFFAOYSA-N",96582,NA,"PDBC27296","81047","Present",NA,NA
+"27297","6,7-Difluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Difluoro-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine",NA,"C1CC2=C(C3=CC(=C(C=C3N=C2C1)F)F)N","XPUQPBGSKNECLY-UHFFFAOYSA-N",402659,NA,"PDBC27297","716846","Present",NA,NA
+"27298","6,7-Difluoro-2-phenyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000394",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=CC(=C(C=C3N2)F)F","MNZITAKTJMKTGP-UHFFFAOYSA-N",380407,NA,"PDBC27298","665929","Present",NA,NA
+"27299","6,7-Difluoro-2-phenyl-3-(3,4,5-trimethoxyphenoxy)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Difluoro-2-phenyl-3-(3,4,5-trimethoxyphenoxy)quinoxaline",NA,"COC1=CC(=CC(=C1OC)OC)OC2=NC3=CC(=C(C=C3N=C2C4=CC=CC=C4)F)F","GPYMWQUCSSLUAF-UHFFFAOYSA-N",394496,NA,"PDBC27299","698041","Present",NA,NA
+"27300","6,7-Difluoro-3-methyl-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FMOBBPRFTMLFEM-UHFFFAOYSA-N",NA,"CC1=NC2=CC(=C(C=C2NC1=O)F)F","FMOBBPRFTMLFEM-UHFFFAOYSA-N",389439,NA,"PDBC27300","685521","Present",NA,NA
+"27301","6,7-Difluoro-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Difluoro-N-(3,4,5-trimethoxyphenyl)quinoxalin-2-amine",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC(=C(C=C3N=C2)F)F","QOPCKPSQKVGMMB-UHFFFAOYSA-N",394494,NA,"PDBC27301","698039","Present",NA,NA
+"27302","6,7-Difluorocryptolepine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-difluorocryptolepine hydrochloride",NA,"CN1C2=CC=CC=C2C=C3C1=C4C(=N3)C=CC(=C4F)F.Cl","GNRQOBMJTJLVPX-UHFFFAOYSA-N",405330,NA,"PDBC27302","722547","Present",NA,NA
+"27303","6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dihydro-2,1,3-benzoxadiazol-4(5H)-one hydrazone",NA,"C1CC2=NON=C2C(=NN)C1","CDXKNGZCYQAXOI-YWEYNIOJSA-N",5753108,NA,"PDBC27303","663947","Present",NA,NA
+"27304","6,7-Dihydro-5H-2,1,3-benzoxadiazol-4-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SDCCGMLS-0065890.P001",NA,"C1CC2=NON=C2C(=NO)C1","MPQCYPOGJHSLHA-DAXSKMNVSA-N",135410014,NA,"PDBC27304","663946","Present",NA,NA
+"27305","6,7-Dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dihydro-5H-benzo[6,7]cyclohepta[1,2-b]quinoline",NA,"C1CC2=CC=CC=C2C3=NC4=CC=CC=C4C=C3C1","WHIFSYKDTNFOTO-UHFFFAOYSA-N",371228,NA,"PDBC27305","645285","Present",NA,NA
+"27306","6,7-Dihydro-5h-benzo[3,4]cyclohepta[1,2-b]quinolin-13-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dihydro-5h-benzo[3,4]cyclohepta[1,2-b]quinolin-13-amine",NA,"C1CC2=CC=CC=C2C3=C(C4=CC=CC=C4N=C3C1)N","KNVYGKRLWWWPMH-UHFFFAOYSA-N",402658,NA,"PDBC27306","716845","Present",NA,NA
+"27307","6,7-Dihydroindolo[1,2-c][3]benzazepin-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dihydroindolo[1,2-c][3]benzazepin-13-one",NA,"C1CN2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C41","FDIGEYFZLWQQSC-UHFFFAOYSA-N",384993,NA,"PDBC27307","675820","Present",NA,NA
+"27308","6,7-Dihydroxy-1,12-perylenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,12-Dihydroxyperylene-1,7-dione",NA,"C1=CC(=C2C3=C1C=CC(=O)C3=C4C(=CC=C5C4=C2C(=O)C=C5)O)O","OGQWRQMRBDFNKU-UHFFFAOYSA-N",362179,NA,"PDBC27308","625763","Present",NA,NA
+"27309","6,7-Dihydroxy-4'-methylisoflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dihydroxy-4'-methylisoflavan",NA,"CC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O","OKUSEYCLSBRHFB-UHFFFAOYSA-N",353126,NA,"PDBC27309","600286","Present",NA,NA
+"27310","6,7-Dihydroxy-4-methoxyisoflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dihydroxy-4-methoxyisoflavan",NA,"COC1=CC=C(C=C1)C2CC3=CC(=C(C=C3OC2)O)O","HEMAEFVLALEJDS-UHFFFAOYSA-N",156398,NA,"PDBC27310","600285","Present",NA,NA
+"27311","6,7-Dihydroxy-5-(hydroxymethyl)hexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651736///NSC651738",NA,"C(C1C(C(C2C(O1)NC(=O)O2)O)O)O","OGXZKGPIPOPCFT-UHFFFAOYSA-N",374240,NA,"PDBC27311","651736///651738","Present",NA,NA
+"27312","6,7-Dihydroxyhexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dihydroxyhexahydro-2H-pyrano[2,3-d][1,3]oxazol-2-one",NA,"C1C(C(C2C(O1)NC(=O)O2)O)O","NGGRTAGJJCEQOG-UHFFFAOYSA-N",374241,NA,"PDBC27312","651737","Present",NA,NA
+"27313","6,7-Dimethoxy-1,3-di(2-propynyl)-2,4(1H,3H)-quinazolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Bis(prop-2-inyl)-6,7-dimethoxy-quinzazolin-2,4-(1H,3...",NA,"COC1=C(C=C2C(=C1)C(=O)N(C(=O)N2CC#C)CC#C)OC","WLXYUQDBPGWWBO-UHFFFAOYSA-N",378827,NA,"PDBC27313","662145","Present",NA,NA
+"27314","6,7-Dimethoxy-1-(4-methoxybenzyl)-2-methylisoquinolinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethoxy-1-(4-methoxybenzyl)-2-methylisoquinolinium iodide",NA,"C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC.[I-]","RKPMSHKYNLIMMU-UHFFFAOYSA-M",371243,NA,"PDBC27314","645300","Present",NA,NA
+"27315","6,7-Dimethoxy-1-[(4-methoxyphenyl)methyl]isoquinoline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645240",NA,"COC1=CC=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC.Cl","XOBXGSAOYVDJIE-UHFFFAOYSA-N",371186,NA,"PDBC27315","645240","Present",NA,NA
+"27316","6,7-Dimethoxy-1-naphthalenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-2,3-dimethoxynaphthalene",NA,"COC1=C(C=C2C(=C1)C=CC=C2N)OC","XWSTYNKWYKLHFJ-UHFFFAOYSA-N",387180,NA,"PDBC27316","680716","Present",NA,NA
+"27317","6,7-Dimethoxy-2-(2-thienyl)-3H-Quinazoline-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dimethoxy-2-(2-thienyl)-3H-Quinazoline-4-one",NA,"COC1=C(C=C2C(=C1)C(=O)NC(=N2)C3=CC=CS3)OC","HCALDFYGBNYFQY-UHFFFAOYSA-N",135436428,NA,"PDBC27317","723411","Present",NA,NA
+"27318","6,7-Dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dimethoxy-2-(2-thienyl)-4H-3,1-benzoxazine-2-one",NA,"COC1=C(C=C2C(=C1)C(=O)OC(=N2)C3=CC=CS3)OC","XMPVZWXWJBMOPQ-UHFFFAOYSA-N",405767,NA,"PDBC27318","723410","Present",NA,NA
+"27319","6,7-Dimethoxy-2-(3-methoxy-phenyl)-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethoxy-2-(3-methoxyphenyl)quinolin-4(1h)-one",NA,"COC1=CC=CC(=C1)C2=CC(=O)C3=CC(=C(C=C3N2)OC)OC","AZKCYXFUWAIBGV-UHFFFAOYSA-N",375364,NA,"PDBC27319","654988","Present",NA,NA
+"27320","6,7-Dimethoxy-2-[(4-methoxyphenyl)methyl]-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethoxy-2-[(4-methoxyphenyl)methyl]-3H-quinazolin-4-one",NA,"COC1=CC=C(C=C1)CC2=NC3=CC(=C(C=C3C(=O)N2)OC)OC","YKWALTHRJTVQQM-UHFFFAOYSA-N",135958473,NA,"PDBC27320","745414","Present",NA,NA
+"27321","6,7-Dimethoxy-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethoxy-2-methyl-1-oxo-3-phenyl-3,4-dihydroisoquinoline-4-carboxylic acid",NA,"CN1C(C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)O)C3=CC=CC=C3","FAHLWUDIZRLJRT-UHFFFAOYSA-N",371205,NA,"PDBC27321","645255","Present",NA,NA
+"27322","6,7-Dimethoxy-2-naphthoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ST6JFH1YV0",NA,"COC1=C(C=C2C=C(C=CC2=C1)C(=O)O)OC","XMOYHYGPKOVFJI-UHFFFAOYSA-N",283028,NA,"PDBC27322","137208","Present",NA,NA
+"27323","6,7-Dimethoxy-2-phenyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KUC100232",NA,"COC1=C(C=C2C(=C1)C(=O)C=C(N2)C3=CC=CC=C3)OC","WYKXXNRFYDQUDT-UHFFFAOYSA-N",381132,NA,"PDBC27323","667449","Present",NA,NA
+"27324","6,7-Dimethoxy-3,4-dihydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KSC571E8H",NA,"COC1=C(C=C2C=NCCC2=C1)OC","NSLJVQUDZCZJLK-UHFFFAOYSA-N",30058,NA,"PDBC27324","627588","Present",NA,NA
+"27325","6,7-Dimethoxy-3-(4-methoxy-6-methyl-9-nitro-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethoxy-3-(4-methoxy-6-methyl-9-nitro-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-3H-2-benzofuran-1-one;hydrochloride",NA,"CN1CCC2=C(C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2[N+](=O)[O-])OCO5)OC.Cl","QHXAXBRDZXAXBX-UHFFFAOYSA-N",45027982,NA,"PDBC27325","740487","Present",NA,NA
+"27326","6,7-Dimethoxy-3-phenylisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ISUPSL100300",NA,"COC1=C(C=C2C=NC(=CC2=C1)C3=CC=CC=C3)OC","HWDYURZFTCCAGV-UHFFFAOYSA-N",327861,NA,"PDBC27326","304636","Present",NA,NA
+"27327","6,7-Dimethoxy-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dimethoxy-4-[(3-methoxyphenyl)amino]-2-(2-thienyl) q...",NA,"COC1=CC=CC(=C1)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=CC=CS4","LGTIJWNJRMQPNJ-UHFFFAOYSA-N",405779,NA,"PDBC27327","723422","Present",NA,NA
+"27328","6,7-Dimethoxy-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2-thienyl)quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dimethoxy-4-[1-(2-trifluoromethyl)4-piprazinyl]-2-(2...",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4CCN(CC4)C5=CC=CC=C5C(F)(F)F)OC","NAZWFSVKOAAXDA-UHFFFAOYSA-N",405773,NA,"PDBC27328","723416","Present",NA,NA
+"27329","6,7-Dimethoxy-4-[1-(phenyl)-4-piprazinyl]-2-(2-thienyl) quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dimethoxy-4-[1-(phenyl)-4-piprazinyl]-2-(2-thienyl) ...",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)N4CCN(CC4)C5=CC=CC=C5)OC","XIWONAYQMGSVDJ-UHFFFAOYSA-N",405770,NA,"PDBC27329","723413","Present",NA,NA
+"27330","6,7-Dimethoxy-4-methylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"M95TSC752B",NA,"CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC","GBYDSYPGGDKWGZ-UHFFFAOYSA-N",77966,NA,"PDBC27330","688797","Present",NA,NA
+"27331","6,7-Dimethoxy-methoxy-4-(3,4-dimethoxyphenyl)-3-hydroxymethyl-3,4-dihydro-2-naphthaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dimethoxy-methoxy-4-(3,4-dimethoxyphenyl)-3-hydroxym...",NA,"COC1=C(C=C(C=C1)C2C(C(=CC3=CC(=C(C=C23)OC)OC)C=O)CO)OC","RXYVJPMEMUTNAE-UGNFMNBCSA-N",60147549,NA,"PDBC27331","751516","Present",NA,NA
+"27332","6,7-Dimethoxybenzo[g]quinoline-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethoxybenzo[g]quinoline-2,4-diol",NA,"COC1=C(C2=CC3=C(C=C2C=C1)NC(=O)C=C3O)OC","UZGGITVTWKKMDQ-UHFFFAOYSA-N",54688509,NA,"PDBC27332","282464","Present",NA,NA
+"27333","6,7-Dimethoxyisoquinoline-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethoxyisoquinoline-1-carbaldehyde",NA,"COC1=C(C=C2C(=C1)C=CN=C2C=O)OC","UHZKUBULBNDNTD-UHFFFAOYSA-N",287724,NA,"PDBC27333","147811","Present",NA,NA
+"27334","6,7-Dimethyl-1,1-dioxo-3-phenyl-3,4-dihydro-2H-furo[3,2-b][1,4]thiazine-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-3-phenyl-3,4-dihydro-2H-furo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide",NA,"CC1=C(OC2=C1S(=O)(=O)C(C(N2)C3=CC=CC=C3)C#N)C","LAANPRKJUKZUFZ-UHFFFAOYSA-N",392834,NA,"PDBC27334","693812","Present",NA,NA
+"27335","6,7-Dimethyl-1,1-dioxo-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-1,1-dioxo-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile",NA,"CC1=C(OC2=C1S(=O)(=O)C(=CN2)C#N)C","ILYGPVUKFZWDIN-UHFFFAOYSA-N",392831,NA,"PDBC27335","693809","Present",NA,NA
+"27336","6,7-Dimethyl-1,2,4-benzotriazin-3-amine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-1,2,4-benzotriazin-3-amine 1-oxide",NA,"CC1=CC2=C(C=C1C)[N+](=NC(=N2)N)[O-]","YAPMVAUXOLBROP-UHFFFAOYSA-N",494376,NA,"PDBC27336","617853","Present",NA,NA
+"27337","6,7-Dimethyl-2,3-dihydro-1,4-benzodioxine-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-2,3-dihydro-1,4-benzodioxine-5,8-dione",NA,"CC1=C(C(=O)C2=C(C1=O)OCCO2)C","ZFEJSMPGTOXUOK-UHFFFAOYSA-N",341021,NA,"PDBC27337","372391","Present",NA,NA
+"27338","6,7-Dimethyl-2-(2-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-2-(2-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC=CC=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O","UXTAMMYSHMKJCQ-UHFFFAOYSA-N",364112,NA,"PDBC27338","629781","Present",NA,NA
+"27339","6,7-Dimethyl-2-(3-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-2-(3-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC(=CC=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O","CJLZYURNBMGIRN-UHFFFAOYSA-N",364113,NA,"PDBC27339","629782","Present",NA,NA
+"27340","6,7-Dimethyl-2-(4-methyl-3-nitro-phenyl)-4-oxo-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-2-(4-methyl-3-nitrophenyl)-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O)[N+](=O)[O-]","QYGSQZMOUFCIHZ-UHFFFAOYSA-N",362321,NA,"PDBC27340","625957","Present",NA,NA
+"27341","6,7-Dimethyl-2-(4-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-2-(4-methylphenyl)-4-oxo-4H-chromene-8-carboxylic acid",NA,"CC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3)C)C)C(=O)O","JMGFBWJVTVFYKM-UHFFFAOYSA-N",364116,NA,"PDBC27341","629785","Present",NA,NA
+"27342","6,7-Dimethyl-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dimethyl-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dih...",NA,"CC1=CC2=C(C=C1C)NC3=C(N2)C(=O)C(O3)C4=CNC5=C4C=C(C=C5)COC6=CC=CC=C6","ZGMKVTNCNWKNBX-UHFFFAOYSA-N",340951,NA,"PDBC27342","372280","Present",NA,NA
+"27343","6,7-Dimethyl-2-(methylthio)-4-pteridinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-2-(methylthio)-4-pteridinol",NA,"CC1=C(N=C2C(=N1)C(=O)NC(=N2)SC)C","SGBPOWRTGPTLQG-UHFFFAOYSA-N",135408968,NA,"PDBC27343","650995","Present",NA,NA
+"27344","6,7-Dimethyl-2-octenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dibromo-3,7-dimethyl-2-octenyl acetate",NA,"CC(=CCOC(=O)C)CCC(C(C)(C)Br)Br","JLQMVQMYEIHAPP-VQHVLOKHSA-N",5468040,NA,"PDBC27344","662816","Present",NA,NA
+"27345","6,7-Dimethyl-2-phenylquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tyrphostin AG 1295",NA,NA,"CC1=CC2=NC=C(N=C2C=C1C)C3=CC=CC=C3","FQNCLVJEQCJWSU-UHFFFAOYSA-N",2048,NA,"PDBC27345",NA,"Absent",NA,NA
+"27346","6,7-Dimethyl-3,4-dihydrochromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-3,4-dihydrochromen-2-one",NA,"CC1=CC2=C(C=C1C)OC(=O)CC2","OPMIAXHEZHTQDH-UHFFFAOYSA-N",227628,NA,"PDBC27346","19527","Present",NA,NA
+"27347","6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]","CYZVABSONGPERE-UHFFFAOYSA-N",394345,NA,"PDBC27347","697715","Present",NA,NA
+"27348","6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile",NA,"CC1=CC2=C(C=C1C)N=C(C(=N2)C#N)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]","LLXVMAZTEPNSQR-UHFFFAOYSA-N",395037,NA,"PDBC27348","699221","Present",NA,NA
+"27349","6,7-Dimethyl-3-phenyl-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-3-phenyl-4H-furo[3,2-b][1,4]thiazine-2-carbonitrile 1,1-dioxide",NA,"CC1=C(OC2=C1S(=O)(=O)C(=C(N2)C3=CC=CC=C3)C#N)C","IPHHUEKSLDRPMN-UHFFFAOYSA-N",392829,NA,"PDBC27349","693807","Present",NA,NA
+"27350","6,7-Dimethyl-4-[(2Z)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-4-[(2Z)-2-(5-oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,"CC1=CC2=C(C=C1C)OC(=O)C=C2OCC=C3CCC(=O)O3","MQOQCBKCAACGAA-XGICHPGQSA-N",24205380,NA,"PDBC27350","735332","Present",NA,NA
+"27351","6,7-Dimethyl-4-oxo-2-(2-thienyl)-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-4-oxo-2-(2-thienyl)-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=CS3","HLCUCOWOXBLOSU-UHFFFAOYSA-N",364120,NA,"PDBC27351","629789","Present",NA,NA
+"27352","6,7-Dimethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC","WYGZBLPTVVZJTD-UHFFFAOYSA-N",364115,NA,"PDBC27352","629784","Present",NA,NA
+"27353","6,7-Dimethyl-4-oxo-2-[4-(trifluoromethyl)phenyl]chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-4-oxo-2-[4-(trifluoromethyl)phenyl]chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=C(C=C3)C(F)(F)F","KHTNAMUYXJAPGK-UHFFFAOYSA-N",362323,NA,"PDBC27353","625959","Present",NA,NA
+"27354","6,7-Dimethyl-4-oxo-2-pyridin-4-yl-4H-chromene-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-4-oxo-2-pyridin-4-yl-4H-chromene-8-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)OC(=CC2=O)C3=CC=NC=C3","REPHLLFXIJIPMA-UHFFFAOYSA-N",367586,NA,"PDBC27354","637418","Present",NA,NA
+"27355","6,7-Dimethyl-5,8-dihydronaphthalene-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethyl-5,8-dihydronaphthalene-1,4-diol",NA,"CC1=C(CC2=C(C=CC(=C2C1)O)O)C","JVVDSVZRKMEJCJ-UHFFFAOYSA-N",343914,NA,"PDBC27355","400529","Present",NA,NA
+"27356","6,7-Dithia-2,11-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dithia-2,11-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene-3,10-dione",NA,"C1CSSCCC(=O)NC2=CC=CC=C2NC1=O","BMSVBOMXRWMLMO-UHFFFAOYSA-N",382457,NA,"PDBC27356","670024","Present",NA,NA
+"27357","6,8,10,12-Tetrachloro-3lambda4-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),2,3,5,7,9(13),10-heptaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8,10,12-Tetrachloro-3lambda4-thia-2,4-diazatricyclo[7.3.1.05,13]trideca-1(12),2,3,5,7,9(13),10-heptaene",NA,"C1=C(C2=C3C(=C1Cl)N=S=NC3=C(C=C2Cl)Cl)Cl","GBDFHYKADPKBOB-UHFFFAOYSA-N",363039,NA,"PDBC27357","627583","Present",NA,NA
+"27358","6,8,10-Trimethylpurino[7,8-a]quinazoline-5,9,11-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Purino[7,8-a]quinazoline-5,9,11-trione, 6,8,10-trimethyl-",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C4=CC=CC=C4C(=O)N(C3=N2)C","PESRKTGIPJCHCL-UHFFFAOYSA-N",389767,NA,"PDBC27358","686363","Present",NA,NA
+"27359","6,8,11-Trimethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8,11-trimethyl-4-(5-methyl-1H-benzo[d]imidazol-1-yl)-6...",NA,"CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)C)C)N4C=NC5=C4C=CC(=C5)C","AQEHZRJUUXYELN-UHFFFAOYSA-N",155813335,NA,"PDBC27359","788710","Present",NA,NA
+"27360","6,8,8-Trimethyl-3-(4-methylphenyl)-7,8-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8,8-Trimethyl-3-(4-methylphenyl)-7,8-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazepine",NA,"CC1=NN2C(=CSC2=NC(C1)(C)C)C3=CC=C(C=C3)C","MFNVJXIJXFLVOY-UHFFFAOYSA-N",371384,NA,"PDBC27360","645603","Present",NA,NA
+"27361","6,8,8-Trimethyl-3-(4-nitrophenyl)-7H-thiazolo[3,2-b][1,2,4]triazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8,8-Trimethyl-3-(4-nitrophenyl)-7,8-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazepine",NA,"CC1=NN2C(=CSC2=NC(C1)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]","SVSNVCRCOAMSLN-UHFFFAOYSA-N",371383,NA,"PDBC27361","645602","Present",NA,NA
+"27362","6,8,9,10-Tetrahydroimidazo[2,1-b]quinazolin-5(7H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8,9,10-Tetrahydroimidazo[2,1-b]quinazolin-5(7H)-one",NA,"C1CCC2=C(C1)C(=O)N3C=CN=C3N2","KCYDHLHOCYCEFK-UHFFFAOYSA-N",379147,NA,"PDBC27362","663548","Present",NA,NA
+"27363","6,8-Bis(4-(dimethylamino)benzyl)-1,4-dihydroxy-7H-benzo(a)cyclohepten-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Bis(p-dimethylaminobenzyl)-1,4-dihydroxy-benzocycloh...",NA,"CN(C)C1=CC=C(C=C1)CC2=CC3=C(C=CC(=C3C=C(C2=O)CC4=CC=C(C=C4)N(C)C)O)O","ZKHPWXJFZAWDGA-UHFFFAOYSA-N",5466111,NA,"PDBC27363","676441","Present",NA,NA
+"27364","6,8-Bis(4-chlorophenyl)-1-methyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Bis(4-chlorophenyl)-1-methyl-4-thia-1,2,6,8-tetraazaspiro[4.4]non-2-ene-7,9-dione",NA,"CN1C2(C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)SC=N1","DFXCSSNQSQSCJG-UHFFFAOYSA-N",364470,NA,"PDBC27364","630737","Present",NA,NA
+"27365","6,8-Bis(4-chlorophenyl)imidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Bis(4-chlorophenyl)imidazo[1,2-a]pyrazine",NA,"C1=CC(=CC=C1C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl)Cl","MFEFXLIBUHBLRX-UHFFFAOYSA-N",11371203,NA,"PDBC27365","731106","Present",NA,NA
+"27366","6,8-Bis(phenylthio)-1H-benzocycloheptene-1,4,7-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Bis(phenylsulfanyl)-1H-benzo[7]annulene-1,4,7-trione",NA,"C1=CC=C(C=C1)SC2=CC3=C(C=C(C2=O)SC4=CC=CC=C4)C(=O)C=CC3=O","FGRXJKKXKLHCFB-UHFFFAOYSA-N",375761,NA,"PDBC27366","655910","Present",NA,NA
+"27367","6,8-Dibromo-2-(2-chloroethyl)-3-(2-hydroxyethyl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dibromo-2-(2-chloroethyl)-3-(2-hydroxyethyl)quinazolin-4(3H)-one",NA,"C1=C(C=C(C2=C1C(=O)N(C(=N2)CCCl)CCO)Br)Br","CXZDRUQJFYDFRP-UHFFFAOYSA-N",369100,NA,"PDBC27367","640657","Present",NA,NA
+"27368","6,8-Dibromo-2-(2-chloroethyl)-3-(4-hydroxy-3-nitrophenyl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dibromo-2-(2-chloroethyl)-3-(4-hydroxy-3-nitrophenyl)quinazolin-4(3H)-one",NA,"C1=CC(=C(C=C1N2C(=NC3=C(C2=O)C=C(C=C3Br)Br)CCCl)[N+](=O)[O-])O","RGXXLUCJQPOADK-UHFFFAOYSA-N",369099,NA,"PDBC27368","640656","Present",NA,NA
+"27369","6,8-Dibromo-3-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dibromo-3-(4-methoxyphenyl)-2-[[4-(4-methoxyphenyl)thiazol-2-yl]methyl]quinazolin-4-one",NA,"COC1=CC=C(C=C1)C2=CSC(=N2)CC3=NC4=C(C=C(C=C4Br)Br)C(=O)N3C5=CC=C(C=C5)OC","SORJXWPCANNSSL-UHFFFAOYSA-N",397926,NA,"PDBC27369","706982","Present",NA,NA
+"27370","6,8-Dibromo-3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dibromo-3-[4-(4-methoxyphenyl)thiazol-2-yl]-2-phenyl-quinazolin-4-one",NA,"COC1=CC=C(C=C1)C2=CSC(=N2)N3C(=NC4=C(C3=O)C=C(C=C4Br)Br)C5=CC=CC=C5","UTOCJVUHUIXATD-UHFFFAOYSA-N",397927,NA,"PDBC27370","706983","Present",NA,NA
+"27371","6,8-Dibromo-3-[4-[(5-hydroxyquinolin-8-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dibromo-3-[4-[(5-hydroxyquinolin-8-yl)diazenyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one",NA,"C1=CC2=C(C=CC(=C2N=C1)N=NC3=CC=C(C=C3)N4C(=O)C5=C(C(=CC(=C5)Br)Br)NC4=S)O","LTXCVRLOURQHFE-UHFFFAOYSA-N",135426750,NA,"PDBC27371","716040","Present",NA,NA
+"27372","6,8-Dibromo-3-phenyl-2-thioxo-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dibromo-3-phenyl-2-thioxo-1H-quinazolin-4-one",NA,"C1=CC=C(C=C1)N2C(=O)C3=C(C(=CC(=C3)Br)Br)NC2=S","PXCFVKWCZXVTGE-UHFFFAOYSA-N",1268742,NA,"PDBC27372","639727","Present",NA,NA
+"27373","6,8-Dibromo-7-[(4-methoxyphenyl)methyl]-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-dibromo-7-(4-methoxybenzyl)-5,7-dihydro-4H-[1,3]thia...",NA,"COC1=CC=C(C=C1)CN2C(=C3CCC4=C(C3=C2Br)N=C(S4)N)Br","BRLSVDGLKOWQRS-UHFFFAOYSA-N",155811361,NA,"PDBC27373","766942","Present",NA,NA
+"27374","6,8-Dichloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dichloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide",NA,"CC1=CC2=C(C3=C(C2=O)C(=CC(=C3)Cl)Cl)C(=C1C)C(=O)N","DZCZMOGKNUULEW-UHFFFAOYSA-N",367000,NA,"PDBC27374","636328","Present",NA,NA
+"27375","6,8-Dichloro-2-imino-N-naphthalen-1-ylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dichloro-2-imino-N-naphthalen-1-ylchromene-3-carboxamide",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC(=CC(=C4OC3=N)Cl)Cl","XBTKQJBBYVNKFQ-UHFFFAOYSA-N",397095,NA,"PDBC27375","704408","Present",NA,NA
+"27376","6,8-Dichloro-2-imino-N-pyridin-2-ylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dichloro-2-imino-N-pyridin-2-ylchromene-3-carboxamide",NA,"C1=CC=NC(=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=N)Cl)Cl","ZPOOWQUXNFTLAN-UHFFFAOYSA-N",399120,NA,"PDBC27376","709539","Present",NA,NA
+"27377","6,8-Dichloro-3-(3,4-dimethoxyphenyl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dichloro-3-(3,4-dimethoxyphenyl)chromen-2-one",NA,"COC1=C(C=C(C=C1)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl)OC","PHAYCARGQPYORP-UHFFFAOYSA-N",388102,NA,"PDBC27377","682565","Present",NA,NA
+"27378","6,8-Dichloro-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dichloro-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2h-chromen-2-one",NA,"C1CN2C(=CSC2=N1)C3=CC4=CC(=CC(=C4OC3=O)Cl)Cl","XZLYPCMEVJEZEL-UHFFFAOYSA-N",403450,NA,"PDBC27378","718317","Present",NA,NA
+"27379","6,8-Dichloro-3-imidazo[2,1-b][1,3]benzothiazol-2-ylchromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dichloro-3-imidazo[2,1-b][1,3]benzothiazol-2-yl-2h-chromen-2-one",NA,"C1=CC=C2C(=C1)N3C=C(N=C3S2)C4=CC5=CC(=CC(=C5OC4=O)Cl)Cl","GPMQBJZALDSYCO-UHFFFAOYSA-N",403447,NA,"PDBC27379","718314","Present",NA,NA
+"27380","6,8-Dichloro-3-methyl-2-thioxo-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dichloro-3-methyl-2-thioxo-1H-quinazolin-4-one",NA,"CN1C(=O)C2=C(C(=CC(=C2)Cl)Cl)NC1=S","BPBOAESBFYNODY-UHFFFAOYSA-N",3004471,NA,"PDBC27380","657451","Present",NA,NA
+"27381","6,8-Dichloro-4-methyl-2,3-dihydrofuro[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dichloro-4-methyl-2,3-dihydrofuro[3,2-c]quinoline",NA,"CC1=C2CCOC2=C3C=C(C=C(C3=N1)Cl)Cl","FNYRWWVSAJXKKB-UHFFFAOYSA-N",387229,NA,"PDBC27381","680791","Present",NA,NA
+"27382","6,8-Dichloro-4-methyl-5-[[3-(diethylamino)propyl]amino]pyrimido[4,5-b]quinolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dichloro-5-{[3-(diethylamino)propyl]amino}-4-methylpyrimido[4,5-b]quinolin-2(3H)-one",NA,"CCN(CC)CCCNC1=C2C(=CC(=CC2=NC3=NC(=O)NC(=C13)C)Cl)Cl","VIUWXCLIKUZIRJ-UHFFFAOYSA-N",382106,NA,"PDBC27382","669470","Present",NA,NA
+"27383","6,8-Dichloro-4b-methyl-5H-isoindolo[2,1-a]benzimidazol-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dichloro-4b-methyl-5H-isoindolo[2,1-a]benzimidazol-11-one",NA,"CC12C3=CC=CC=C3C(=O)N1C4=C(N2)C(=CC(=C4)Cl)Cl","VRVNISVHUKVGOE-UHFFFAOYSA-N",385041,NA,"PDBC27383","675962","Present",NA,NA
+"27384","6,8-Dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-(+)-1,3-Dimethyl-3,4-dihydro-6,8-dimethoxyisoquinoline",NA,"CC1CC2=C(C(=N1)C)C(=CC(=C2)OC)OC","GZBGZFKNOCVESD-UHFFFAOYSA-N",378443,NA,"PDBC27384","660982","Present",NA,NA
+"27385","6,8-Dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dimethoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine",NA,"COC1CC(OC2C1OC(OC2)C3=CC=CC=C3)OC","DHICYDCVZJTOAV-UHFFFAOYSA-N",360950,NA,"PDBC27385","623666","Present",NA,NA
+"27386","6,8-Dimethoxy-3-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dimethoxy-3-[(2-methyl-1,3-dioxan-2-yl)methyl]naphthalene-1,2-dione",NA,"CC1(OCCCO1)CC2=CC3=C(C(=CC(=C3)OC)OC)C(=O)C2=O","KDUMZSZKLZBDOQ-UHFFFAOYSA-N",372273,NA,"PDBC27386","647329","Present",NA,NA
+"27387","6,8-Dimethoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dimethoxy-4-methyl-2,3-dihydro-1H-pyrrolo[3,2-c]quinoline",NA,"CC1=C2CCNC2=C3C=C(C=C(C3=N1)OC)OC","ISCFTPATSJORAR-UHFFFAOYSA-N",380609,NA,"PDBC27387","666284","Present",NA,NA
+"27388","6,8-Dimethyl-7,8-dihydro-pteridine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dimethyl-7,8-dihydro-pteridine-2,4-diamine",NA,"CC1=NC2=C(N=C(N=C2N(C1)C)N)N","WDRJDXYRKJOINM-UHFFFAOYSA-N",393102,NA,"PDBC27388","694487","Present",NA,NA
+"27389","6,8-Dioxa-12-azapentacyclo[11.9.0.03,11.05,9.014,19]docosa-1(13),3,5(9),10,14,16,18-heptaen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Dioxa-12-azapentacyclo[11.9.0.03,11.05,9.014,19]docosa-1(13),3,5(9),10,14,16,18-heptaen-2-one",NA,"C1CC2=CC=CC=C2C3=C(C1)C(=O)C4=CC5=C(C=C4N3)OCO5","DQXAWFSTXPMMEP-UHFFFAOYSA-N",378310,NA,"PDBC27389","660314","Present",NA,NA
+"27390","6,8-Diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-Diphenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine",NA,"C1C(NC2=NC=NC(=C2N=C1C3=CC=CC=C3)N)C4=CC=CC=C4","UVGYDOAGCNVGSL-UHFFFAOYSA-N",388802,NA,"PDBC27390","683888","Present",NA,NA
+"27391","6,8-dihydroxy-3-(3,4-dihydroxyphenyl)-4-methylisocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,8-dihydroxy-3-(3,4-dihydroxyphenyl)-4-methylisocoumarin",NA,"CC1=C(OC(=O)C2=C1C=C(C=C2O)O)C3=CC(=C(C=C3)O)O","CQQJUHJOTHJYEV-UHFFFAOYSA-N",5473311,NA,"PDBC27391","725016","Present",NA,NA
+"27392","6,9-Dihydro-6,9-ethanobenzo[g]isoquinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,9-ethanobenz[g]isoquinoline-5,10-dione, 6,9-dihydro-",NA,"C1CC2C=CC1C3=C2C(=O)C4=C(C3=O)C=CN=C4","NCNRQBOCQNWNKQ-UHFFFAOYSA-N",334273,NA,"PDBC27392","338698","Present",NA,NA
+"27393","6,9-Dihydro-9-(3,4,5-trimethoxyphenyl)furo[3',4':5,6]pyrano[2,3-F]-1,3-benzodioxole-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[3',4':5,6]pyrano[2,3-f]-1,3-benzodioxole-8-one, 6,9...",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4","DWWALFYNQWNXFV-UHFFFAOYSA-N",358793,NA,"PDBC27393","618862","Present",NA,NA
+"27394","6,9-Dihydroxyanthra[2,3-d]thiazole-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,9-Dihydroxyanthra[2,3-d]thiazole-5,10-dione",NA,"C1=CC(=C2C(=C1O)C(=O)C3=CC4=C(C=C3C2=O)SC=N4)O","HTGXOYBESBPOSI-UHFFFAOYSA-N",395766,NA,"PDBC27394","700585","Present",NA,NA
+"27395","6,9-Dihydroxybenzo[g]isoquinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,9-Dihydroxybenzo[g]isoquinoline-5,10-dione",NA,"C1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C=NC=C3)O","FQKWIZGNBZNVIS-UHFFFAOYSA-N",431317,NA,"PDBC27395","291926","Present",NA,NA
+"27396","6,9-Dimethoxy-3-phenylnaphtho[1,2-c]furan-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,9-Dimethoxy-3-phenylnaphtho[1,2-c]furan-1(3H)-one",NA,"COC1=C2C=CC3=C(C2=C(C=C1)OC)C(=O)OC3C4=CC=CC=C4","VDDXJAQZAMOPLW-UHFFFAOYSA-N",362102,NA,"PDBC27396","625630","Present",NA,NA
+"27397","6,9-Dimethyl-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,9-Dimethyl-phenothiazone",NA,"CC1=C2C(=C(C=C1)C)SC3=CC(=O)C=CC3=N2","BXKDVWREKPIWIK-UHFFFAOYSA-N",369392,NA,"PDBC27397","641156","Present",NA,NA
+"27398","6,9-Ethanobenzo[g]quinoxaline-5,10-diol, 6,9-dihydro-2,3-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,9-Ethanobenzo[g]quinoxaline-5,10-diol, 6,9-dihydro- 2,...",NA,"CC1=C(N=C2C(=C3C4CCC(C3=C(C2=N1)O)C=C4)O)C","GMUBHLSDGMVJMG-UHFFFAOYSA-N",135409115,NA,"PDBC27398","658387","Present",NA,NA
+"27399","6,9-Ethanobenzo[g]quinoxaline-5,10-dione, 6,9-dihydro-2,3-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,9-Ethanobenzo[g]quinoxaline-5,10-dione, 6,9-dihydro-2,3-dimethyl-",NA,"CC1=C(N=C2C(=N1)C(=O)C3=C(C2=O)C4CCC3C=C4)C","QGLROAKDEITONM-UHFFFAOYSA-N",353637,NA,"PDBC27399","602610","Present",NA,NA
+"27400","6,9a-Dimethyl-2,7-dioxododecahydronaphtho[2,1-b]furan-6-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,9a-Dimethyl-2,7-dioxododecahydronaphtho[2,1-b]furan-6-carbaldehyde",NA,"CC12CCC(=O)C(C1CCC3C2CC(=O)O3)(C)C=O","HCWZQNNOOOZJLI-UHFFFAOYSA-N",363005,NA,"PDBC27400","627544","Present",NA,NA
+"27401","6-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((((4-Chloroanilino)carbonyl)amino)sulfonyl)-4,9-dimethoxy-5-oxo-5H-furo[3,2-g]chromene",NA,"COC1=C2C(=C(C3=C1C=CO3)OC)OC=C(C2=O)S(=O)(=O)NC(=O)NC4=CC=C(C=C4)Cl","JZAAKSWCNUGBMT-UHFFFAOYSA-N",379469,NA,"PDBC27401","664022","Present",NA,NA
+"27402","6-((1-Oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)-4-indanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((1-Oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)-4-indanecarboxylic acid",NA,"C1CC2=CC3=C(C=C2C1)C(=O)C(C3)CC4=CC5=C(CCC5)C(=C4)C(=O)O","ASHCVHNGCCGOMG-UHFFFAOYSA-N",382685,NA,"PDBC27402","670333","Present",NA,NA
+"27403","6-((2,4-Dichlorobenzyl)thio)-9-isobutyl-9H-purin-2-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9h-purine, 2-amino-6-(2,4-dichlorobenzylthio)-9-isobutyl-",NA,"CC(C)CN1C=NC2=C1N=C(N=C2SCC3=C(C=C(C=C3)Cl)Cl)N","MLXSKOFAXKBMOL-UHFFFAOYSA-N",240896,NA,"PDBC27403","47786","Present",NA,NA
+"27404","6-((2-Chlorophenyl)diazenyl)-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((2-Chlorophenyl)diazenyl)-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide",NA,"CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4Cl)OC2=O","HYENGBBCWLYETF-UHFFFAOYSA-N",370464,NA,"PDBC27404","643595","Present",NA,NA
+"27405","6-((2-Ethoxyphenyl)diazenyl)-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((2-Ethoxyphenyl)diazenyl)-N-(3-methylphenyl)-2-oxo-2H-chromene-3-carboxamide",NA,"CCOC1=CC=CC=C1N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=CC(=C4)C","VLBVIPHPPAURDO-UHFFFAOYSA-N",369378,NA,"PDBC27405","641140","Present",NA,NA
+"27406","6-((2-Hydroxyethyl)amino)-1,3-dimethyl-2,4(1H,3H)-pteridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((2-Hydroxyethyl)amino)-1,3-dimethyl-2,4(1H,3H)-pteridinedione",NA,"CN1C2=NC=C(N=C2C(=O)N(C1=O)C)NCCO","VZTKOMDHUMKXIF-UHFFFAOYSA-N",375734,NA,"PDBC27406","655743","Present",NA,NA
+"27407","6-((2-Hydroxyethyl)thio)-1,3,5-triphenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((2-Hydroxyethyl)thio)-1,3,5-triphenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone",NA,"C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SCCO","LGFITQNPWHLSOA-UHFFFAOYSA-N",383057,NA,"PDBC27407","671101","Present",NA,NA
+"27408","6-((2-Hydroxyphenyl)(4-morpholinyl)methyl)-1,3-benzodioxol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((2-Hydroxyphenyl)(4-morpholinyl)methyl)-1,3-benzodioxol-5-ol",NA,"C1COCCN1C(C2=CC=CC=C2O)C3=CC4=C(C=C3O)OCO4","ZTWUKTVOOCFFCZ-UHFFFAOYSA-N",381381,NA,"PDBC27408","667921","Present",NA,NA
+"27409","6-((2-Oxopropyl)thio)-1,3,5-triphenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((2-Oxopropyl)thio)-1,3,5-triphenyl-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone",NA,"CC(=O)CSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","AQIWIJYXWOFYBJ-UHFFFAOYSA-N",383055,NA,"PDBC27409","671099","Present",NA,NA
+"27410","6-((3,4-Dichlorophenyl)diazenyl)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pyrimidinedione, 6-[(3,4-dichlorophenyl)azo]-",NA,"C1=CC(=C(C=C1N=NC2=CC(=O)NC(=O)N2)Cl)Cl","NYYDLONKIRRDKD-UHFFFAOYSA-N",389514,NA,"PDBC27410","685804","Present",NA,NA
+"27411","6-((3,4-Dichlorophenyl)diazenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((3,4-Dichlorophenyl)diazenyl)-3-methyl-2,4(1H,3H)-pyrimidinedione",NA,"CN1C(=O)C=C(NC1=O)N=NC2=CC(=C(C=C2)Cl)Cl","VETFBHVSALSEBV-UHFFFAOYSA-N",385860,NA,"PDBC27411","677259","Present",NA,NA
+"27412","6-((3,4-Dimethylphenyl)diazenyl)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((3,4-Dimethylphenyl)diazenyl)-2,4-pyrimidinediol",NA,"CC1=C(C=C(C=C1)N=NC2=CC(=O)NC(=O)N2)C","IUARPJOOFZMFQC-UHFFFAOYSA-N",385857,NA,"PDBC27412","677256","Present",NA,NA
+"27413","6-((3-Fluorobenzyl)thio)-9-tetrahydro-2-thienyl-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((3-Fluorobenzyl)thio)-9-tetrahydro-2-thienyl-9H-purine",NA,"C1CC(SC1)N2C=NC3=C2N=CN=C3SCC4=CC(=CC=C4)F","CVZOCYIRMVPLHT-UHFFFAOYSA-N",245224,NA,"PDBC27413","56939","Present",NA,NA
+"27414","6-((4,5-Dihydro-2-pyrimidinylamino)(2-hydroxy-3-methoxyphenyl)methyl)-1,3-benzodioxol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4,5-Dihydro-2-pyrimidinylamino)(2-hydroxy-3-methoxyphenyl)methyl)-1,3-benzodioxol-5-ol",NA,"COC1=CC=CC(=C1O)C(C2=CC3=C(C=C2O)OCO3)NC4=NCCC=N4","KJVXAPMCCRGFHA-UHFFFAOYSA-N",381382,NA,"PDBC27414","667922","Present",NA,NA
+"27415","6-((4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)acetyl)-5-chloro-3-methyl-1,3-benzoxazol-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)acetyl)-5-chloro-3-methyl-1,3-benzoxazol-2(3H)-one",NA,"CN1C2=C(C=C(C(=C2)Cl)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC1=O","FOBSUYQVPNGGJB-UHFFFAOYSA-N",384070,NA,"PDBC27415","673292","Present",NA,NA
+"27416","6-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)-5-methyl-3-phenylimidazo(2,1-b)(1,3)thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4-(Hydroxy(oxido)amino)phenyl)diazenyl)-5-methyl-3-phenylimidazo(2,1-b)(1,3)thiazole",NA,"CC1=C(N=C2N1C(=CS2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-]","KFYKXFZNZAHSDY-UHFFFAOYSA-N",340996,NA,"PDBC27416","372335","Present",NA,NA
+"27417","6-((4-Bromophenyl)diazenyl)-2-mercapto-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(E)-(4-bromophenyl)azo]-2-sulfanyl-pyrimidin-4-ol",NA,"C1=CC(=CC=C1N=NC2=CC(=O)NC(=S)N2)Br","IFKBPRPRSUOAMP-UHFFFAOYSA-N",3005147,NA,"PDBC27417","677261","Present",NA,NA
+"27418","6-((4-Chlorobenzyl)thio)-9-propyl-9H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4-Chlorobenzyl)thio)-9-propyl-9H-purin-2-amine",NA,"CCCN1C=NC2=C1N=C(N=C2SCC3=CC=C(C=C3)Cl)N","HJXBNHVNJYYCRG-UHFFFAOYSA-N",238856,NA,"PDBC27418","43414","Present",NA,NA
+"27419","6-((4-Chlorobenzyl)thio)-9-tetrahydro-2H-pyran-2-yl-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4-Chlorobenzyl)thio)-9-tetrahydro-2H-pyran-2-yl-9H-purine",NA,"C1CCOC(C1)N2C=NC3=C2N=CN=C3SCC4=CC=C(C=C4)Cl","OCKAZLMFYPPBPL-UHFFFAOYSA-N",243154,NA,"PDBC27419","52440","Present",NA,NA
+"27420","6-((4-Ethoxyphenyl)diazenyl)-N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4-Ethoxyphenyl)diazenyl)-N-(4-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide",NA,"CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=C(C=C4)OC","FVKXZRYEJHVOSZ-UHFFFAOYSA-N",369377,NA,"PDBC27420","641139","Present",NA,NA
+"27421","6-((4-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)(2-methoxyphenyl)methyl)-1,3-benzodioxol-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4-Hydroxy-2-oxo-2,5-dihydro-3-furanyl)(2-methoxyphenyl)methyl)-1,3-benzodioxol-5-yl acetate",NA,"CC(=O)OC1=CC2=C(C=C1C(C3=CC=CC=C3OC)C4=C(COC4=O)O)OCO2","GNJCTGNSYOIDRI-UHFFFAOYSA-N",54681650,NA,"PDBC27421","665486","Present",NA,NA
+"27422","6-((4-Methoxyphenyl)(2-pyrimidinylamino)methyl)-1,3-benzodioxol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4-Methoxyphenyl)(2-pyrimidinylamino)methyl)-1,3-benzodioxol-5-ol",NA,"COC1=CC=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)NC4=NC=CC=N4","IJLYHFDMMYWAIQ-UHFFFAOYSA-N",339904,NA,"PDBC27422","368270","Present",NA,NA
+"27423","6-((4-Methoxyphenyl)diazenyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4-Methoxyphenyl)diazenyl)-2-oxo-N-phenyl-2H-chromene-3-carboxamide",NA,"COC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=CC=C4","HPLQFFDDUBHGMA-UHFFFAOYSA-N",378942,NA,"PDBC27423","662450","Present",NA,NA
+"27424","6-((4-Methoxyphenyl)diazenyl)-N-(2-methylphenyl)-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4-Methoxyphenyl)diazenyl)-N-(2-methylphenyl)-2-oxo-2H-chromene-3-carboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)OC)OC2=O","ZJVMYWTYUAFFOA-UHFFFAOYSA-N",378943,NA,"PDBC27424","662451","Present",NA,NA
+"27425","6-((4-Methoxyphenyl)imino)[1,2]dithiolo[4,3-c][1,2]dithiole-3(6H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((4-Methoxyphenyl)imino)[1,2]dithiolo[4,3-c][1,2]dithiole-3(6H)-thione",NA,"COC1=CC=C(C=C1)N=C2C3=C(C(=S)SS3)SS2","FVECGOHKWKHWCW-UHFFFAOYSA-N",364157,NA,"PDBC27425","629829","Present",NA,NA
+"27426","6-((4-Methylphenyl)sulfonyl)-6aH-benzo[5,6]indeno[2,1-b]quinoline-7,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(4-Methylphenyl)sulfonyl-10-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1,3,5,7,9,11,15,17,19-nonaene-14,21-dione",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C4C2C(=O)C5=CC=CC=C5C4=O)C=C6C=CC=CC6=N3","OBVHXMPLYALSLH-UHFFFAOYSA-N",375031,NA,"PDBC27426","653857","Present",NA,NA
+"27427","6-((6-((6-Amino-2-pyridinyl)ethynyl)-2-pyridinyl)ethynyl)-2-pyridinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-(pyridine-2,6-diyldiethyne-2,1-diyl)dipyridin-2-amine",NA,"C1=CC(=NC(=C1)C#CC2=NC(=CC=C2)N)C#CC3=NC(=CC=C3)N","XHFQAENVWRIDMF-UHFFFAOYSA-N",391025,NA,"PDBC27427","689448","Present",NA,NA
+"27428","6-((Benzyloxy)methyl)-2,2-dimethyl-3a,6a-dihydro-4H-cyclopenta[d][1,3]dioxol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-3-Benzyloxymethyl-4,5-isopropylidene-2- cyclopenten...",NA,"CC1(OC2C(O1)C(=O)C=C2COCC3=CC=CC=C3)C","IMMAKCSFQZGDHG-UHFFFAOYSA-N",341170,NA,"PDBC27428","611439","Present",NA,NA
+"27429","6-((Cyclohexylmethyl)amino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F1967-3331",NA,"C1CCC(CC1)CNC2=CC(=O)NC(=O)N2","YAUWWHKVPYXRRS-UHFFFAOYSA-N",385851,NA,"PDBC27429","677250","Present",NA,NA
+"27430","6-((E)-Styryl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((E)-Styryl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C=CC4=CC=CC=C4","LHJNKMCREMQIKG-VOTSOKGWSA-N",5934142,NA,"PDBC27430","657276","Present",NA,NA
+"27431","6-((Hydroxyimino)methyl)-3-pyridinyl diethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-((Hydroxyimino)methyl)-3-pyridinyl diethylcarbamate",NA,"CCN(CC)C(=O)OC1=CN=C(C=C1)C=NO","AFJZELHSFWBABZ-NTUHNPAUSA-N",135499213,NA,"PDBC27431","644877","Present",NA,NA
+"27432","6-(1,3-Benzodioxol-5-yl)-8-(4-chlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1,3-Benzodioxol-5-yl)-8-(4-chlorophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine",NA,"C1C(NC2=NC=NC(=C2N=C1C3=CC4=C(C=C3)OCO4)N)C5=CC=C(C=C5)Cl","RPLUJBSVCSJQCG-UHFFFAOYSA-N",25110635,NA,"PDBC27432","743962","Present",NA,NA
+"27433","6-(1,3-Benzodioxol-5-yl)-8-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1,3-Benzodioxol-5-yl)-8-(4-nitrophenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine",NA,"C1C(NC2=NC=NC(=C2N=C1C3=CC4=C(C=C3)OCO4)N)C5=CC=C(C=C5)[N+](=O)[O-]","HEZNLJMOBUEHHH-UHFFFAOYSA-N",25110634,NA,"PDBC27433","743961","Present",NA,NA
+"27434","6-(1,3-Benzodioxol-5-ylmethyl)benzo[d][2]benzazepine-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1,3-Benzodioxol-5-ylmethyl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione",NA,"C1OC2=C(O1)C=C(C=C2)CN3C(=O)C4=CC=CC=C4C5=CC=CC=C5C3=O","GBBSJVJKJAPRFA-UHFFFAOYSA-N",278035,NA,"PDBC27434","127130","Present",NA,NA
+"27435","6-(1,3-Decadiyn-1-yl)-2(2H)-pyranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1,3-decadiyn-1-yl)-2(2H)-pyranone",NA,"CCCCCCC#CC#CC1=CC=CC(=O)O1","XNVYFLTWNDZFOA-UHFFFAOYSA-N",11775948,NA,"PDBC27435","727040","Present",NA,NA
+"27436","6-(1,3-Dihydrophenanthro[9,10-d]imidazol-2-ylidene)cyclohexa-2,4-dien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2-(1H-phenanthro[9,10-d]imidazol-2-yl)-",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2NC(=N4)C5=CC=CC=C5O","USJRSBYEUBALIV-UHFFFAOYSA-N",332972,NA,"PDBC27436","332670","Present",NA,NA
+"27437","6-(1,3-Octadiyn-1-yl)-2(2H)-pyranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1,3-octadiyn-1-yl)-2(2H)-pyranone",NA,"CCCCC#CC#CC1=CC=CC(=O)O1","JSCGLMWLZSEUNY-UHFFFAOYSA-N",11287117,NA,"PDBC27437","726862","Present",NA,NA
+"27438","6-(1,4-Oxazinan-4-yl)-1,3-dioxo-2,3-dihydro-1H-benzo[de]isoquinolin-2-yl]ethyl}h exahydro-1-pyrazinyl)pentylhexahydro-1-pyrazinyl}ethyl-2,3-d ihydro-1H-benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1,4-oxazinan-4-yl)-2-(2-{4-[5-(4-{2-[6-(1,4-oxazinan-...",NA,"C1CN(CCN1CCCCCN2CCN(CC2)CCN3C(=O)C4=C5C(=C(C=C4)N6CCOCC6)C=CC=C5C3=O)CCN7C(=O)C8=C9C(=C(C=C8)N1CCOCC1)C=CC=C9C7=O","KRVIJDQAZGBBBA-UHFFFAOYSA-N",24205464,NA,"PDBC27438","735822","Present",NA,NA
+"27439","6-(1-Benzofuran-2-yl)-4-(4-chlorophenyl)-2-methylsulfanylpyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-Benzofuran-2-yl)-4-(4-chlorophenyl)-2-methylsulfanylpyridine-3-carbonitrile",NA,"CSC1=C(C(=CC(=N1)C2=CC3=CC=CC=C3O2)C4=CC=C(C=C4)Cl)C#N","ZIJQSUWQJPGPHF-UHFFFAOYSA-N",45029032,NA,"PDBC27439","745287","Present",NA,NA
+"27440","6-(1-Benzofuran-2-yl)-4-(4-methylpiperazin-1-yl)-2-oxopyran-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-Benzofuran-2-yl)-4-(4-methylpiperazin-1-yl)-2-oxo-2H-pyran-3-carbonitrile",NA,"CN1CCN(CC1)C2=C(C(=O)OC(=C2)C3=CC4=CC=CC=C4O3)C#N","CCIHOGDJTSIUNT-UHFFFAOYSA-N",360617,NA,"PDBC27440","622922","Present",NA,NA
+"27441","6-(1-Benzofuran-2-yl)-4-(4-methylpiperidin-1-yl)-2-oxopyran-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-Benzofuran-2-yl)-4-(4-methylpiperidin-1-yl)-2-oxo-2H-pyran-3-carbonitrile",NA,"CC1CCN(CC1)C2=C(C(=O)OC(=C2)C3=CC4=CC=CC=C4O3)C#N","NSQJTCHNSAUKNC-UHFFFAOYSA-N",360616,NA,"PDBC27441","622921","Present",NA,NA
+"27442","6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-2-phenyl-4-quinazolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-2-phenyl-4-quinazolinol",NA,"C1=CC=C(C=C1)C=C(C2=C(C=C3C(=C2)C(=O)NC(=N3)C4=CC=CC=C4)[N+](=O)[O-])Cl","RXDOLZCKFNLTOY-WQRHYEAKSA-N",135484982,NA,"PDBC27442","626526","Present",NA,NA
+"27443","6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-3-phenyl-4-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-Chloro-2-phenylvinyl)-7-(hydroxy(oxido)amino)-3-phenyl-4-quinolinol",NA,"C1=CC=C(C=C1)C=C(C2=C(C=C3C(=C2)C(=O)C(=CN3)C4=CC=CC=C4)[N+](=O)[O-])Cl","HVYIIKIMQGEMEM-JAIQZWGSSA-N",5903258,NA,"PDBC27443","626527","Present",NA,NA
+"27444","6-(1-Cyclohexylbenzimidazol-5-yl)-2-[2-(diethylamino)ethyl]benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-cyclohexyl-1H-benzo[d]imidazol-5-yl)-2-(2-(diethyla...",NA,"CCN(CC)CCN1C(=O)C2=C3C(=C(C=C2)C4=CC5=C(C=C4)N(C=N5)C6CCCCC6)C=CC=C3C1=O","MCLCORNKCDYNPF-UHFFFAOYSA-N",155809609,NA,"PDBC27444","800757","Present",NA,NA
+"27445","6-(1-Hydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-Hydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol",NA,"CC(C1C2C(C(O1)O)OC(O2)(C)C)O","ICBGDXBFVVCSND-UHFFFAOYSA-N",355454,NA,"PDBC27445","609072","Present",NA,NA
+"27446","6-(1-Methyl-1H-indol-3-yl)-3-(4-chlorophenyl)-1,2,4-triazin-5(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorophenyl)-6-(1-methylindol-3-yl)-2H-1,2,4-triazin-5-one",NA,"CN1C=C(C2=CC=CC=C21)C3=NN=C(NC3=O)C4=CC=C(C=C4)Cl","DCHLORIPYBPNHK-UHFFFAOYSA-N",135426708,NA,"PDBC27446","710328","Present",NA,NA
+"27447","6-(1-Methyl-2-oxo-butyl)-3-[7-[6-(1-methyl-2-oxo-butyl)-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[7-[5-Oxo-6-(3-oxopentan-2-yl)imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]-6-(3-oxopentan-2-yl)imidazo[2,1-c][1,2,4]triazol-5-one",NA,"CCC(=O)C(C)C1=NC2=NN=C(N2C1=O)CCCCCCCC3=NN=C4N3C(=O)C(=N4)C(C)C(=O)CC","HLKSIASKKJKQGY-UHFFFAOYSA-N",362243,NA,"PDBC27447","625847","Present",NA,NA
+"27448","6-(1-Methyl-2-oxo-heptyl)-3-[7-[6-(1-methyl-2-oxo-heptyl)-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Oxooctan-2-yl)-3-[7-[5-oxo-6-(3-oxooctan-2-yl)imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,"CCCCCC(=O)C(C)C1=NC2=NN=C(N2C1=O)CCCCCCCC3=NN=C4N3C(=O)C(=N4)C(C)C(=O)CCCCC","LJLRIOKCNULYRK-UHFFFAOYSA-N",362248,NA,"PDBC27448","625852","Present",NA,NA
+"27449","6-(1-Methylhydrazino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-Methylhydrazino)uracil",NA,"CN(C1=CC(=O)NC(=O)N1)N","QWORRGCLMAIWHJ-UHFFFAOYSA-N",385876,NA,"PDBC27449","677276","Present",NA,NA
+"27450","6-(1-Piperidinyl)-3,4-dihydro-2(1H)-quinoxalinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-Piperidinyl)-3,4-dihydro-2(1H)-quinoxalinone",NA,"C1CCN(CC1)C2=CC3=C(C=C2)NC(=O)CN3","KBULWHZRYOZING-UHFFFAOYSA-N",393057,NA,"PDBC27450","694341","Present",NA,NA
+"27451","6-(1-Pyrrolidinyl(3,4,5-trimethoxyphenyl)methyl)-1,3-benzodioxol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(3,4,5-Trimethoxyphenyl)-1-pyrrolidinylmethyl]-1,3-be...",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)N4CCCC4","QCXGNLZKUHBIHD-UHFFFAOYSA-N",340208,NA,"PDBC27451","370284","Present",NA,NA
+"27452","6-(10'-Tert-BOC-aminodecyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(10'-tert-BOC-aminodecyl)-5,6-dihydro-5,11-dioxo-11H-i...",NA,"CC(C)(C)OC(=O)NCCCCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","DMMUQQPDXKDCIE-UHFFFAOYSA-N",16221318,NA,"PDBC27452","740270","Present",NA,NA
+"27453","6-(10'-Tert-BOC-aminododecyl)-5,11-dioxo-11H-indeno-[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(10'-tert-BOC-aminododecyl)-5,6-dihydro-5,11-dioxo-11H...",NA,"CC(C)(C)OC(=O)NCCCCCCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","OLIZVMKUHOCYPM-UHFFFAOYSA-N",16221319,NA,"PDBC27453","740279","Present",NA,NA
+"27454","6-(10-Aminodecyl)-5,11-dioxo-11H-indeno[1,2-c]isoquiniline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(10-aminodecyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2-...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCCCCN.Cl","LBJFSYNATMYVTO-UHFFFAOYSA-N",16221207,NA,"PDBC27454","740522","Present",NA,NA
+"27455","6-(11-Aminoundecyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(11-aminoundecyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCCCCCN.Cl","DQXVACRONSJIKO-UHFFFAOYSA-N",16221323,NA,"PDBC27455","740510","Present",NA,NA
+"27456","6-(13-Hydroxy-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)hexanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(6-Hydroxy-5,7-dioxo-6,7-dihydro-5H-indolo[2,3-a]pyrro...",NA,"C1=CC=C2C(=C1)C3=C4C(=C5C6=CC=CC=C6N(C5=C3N2)CCCCCC#N)C(=O)N(C4=O)O","UQFONSNURLOAMH-UHFFFAOYSA-N",155807045,NA,"PDBC27456","781336","Present",NA,NA
+"27457","6-(13-Hydroxy-23-methyl-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)hexanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(6-Hydroxy-13-methyl-5,7-dioxo-6,7-dihydro-5H-indolo[2...",NA,"CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)CCCCCC#N)C(=O)N(C4=O)O","LAKYMYHTFLBAQU-UHFFFAOYSA-N",155808690,NA,"PDBC27457","781335","Present",NA,NA
+"27458","6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carbonitrile",NA,"CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)C#N)C","XIMAWUNECBNVDK-UHFFFAOYSA-N",388078,NA,"PDBC27458","682541","Present",NA,NA
+"27459","6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carboxamide",NA,"CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)C(=O)N)C","VPGICDLUPFNKAY-UHFFFAOYSA-N",388077,NA,"PDBC27459","682540","Present",NA,NA
+"27460","6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyltetrahydro-2H-pyran-3-carboxylic acid",NA,"CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)C(=O)O)C","GRIDATQBSWINOD-UHFFFAOYSA-N",388076,NA,"PDBC27460","682539","Present",NA,NA
+"27461","6-(1H-Indol-2-yl)quinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1H-Indol-2-yl)quinazoline-2,4-diamine",NA,"C1=CC=C2C(=C1)C=C(N2)C3=CC4=C(C=C3)N=C(N=C4N)N","KXIFJNYJOVAMTJ-UHFFFAOYSA-N",402813,NA,"PDBC27461","717064","Present",NA,NA
+"27462","6-(1H-Indol-3-yl)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-phenyl-4,5-dihydropyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1H-Indol-3-yl)-4-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-2-phenyl-4,5-dihydropyridazin-3-one",NA,"CC1=NNC(=O)C1C2CC(=NN(C2=O)C3=CC=CC=C3)C4=CNC5=CC=CC=C54","YEXUMQAANBDADK-UHFFFAOYSA-N",392031,NA,"PDBC27462","691830","Present",NA,NA
+"27463","6-(1H-Indol-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1H-Indol-3-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CNC5=CC=CC=C54","VCUYWIGKJZXRHY-UHFFFAOYSA-N",373178,NA,"PDBC27463","649127","Present",NA,NA
+"27464","6-(1H-Pyrrol-2-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1H-Pyrrol-2-yl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CN4","PVHCVBUOCBOEJW-UHFFFAOYSA-N",373175,NA,"PDBC27464","649124","Present",NA,NA
+"27465","6-(2,2'-Bithiophene-5-YL)nicotinamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766346",NA,"C1=CSC(=C1)C2=CC=C(S2)C3=NC=C(C=C3)C(=N)N","FUHIHDHPHBAGCG-UHFFFAOYSA-N",76333764,NA,"PDBC27465","766346","Present",NA,NA
+"27466","6-(2,2-Dimethylhydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2,2-Dimethylhydrazino)-2,4-pyrimidinediol",NA,"CN(C)NC1=CC(=O)NC(=O)N1","JGSJTPXGQTWTOF-UHFFFAOYSA-N",385866,NA,"PDBC27466","677265","Present",NA,NA
+"27467","6-(2,3,4,5-Tetrahydro-3,5-dioxo-1,2,4-triazine-6-yl)-5H-1,2,4-triazino[5,6-b]indole-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Oxo-3,5-dihydro-2H-[1,2,4]triazino[5,6-b]indol-6-yl...",NA,"C1=CC2=C(C(=C1)C3=NNC(=O)NC3=O)NC4=NC(=O)NN=C24","NDEFUAKASPWEGP-UHFFFAOYSA-N",135439499,NA,"PDBC27467","741616","Present",NA,NA
+"27468","6-(2,3,4-Trimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2,3,4-Trimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"COC1=C(C(=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4)OC)OC","YYFCKMGXGBYSNO-UHFFFAOYSA-N",374407,NA,"PDBC27468","652117","Present",NA,NA
+"27469","6-(2,4,5-Trimethoxy-3-methylbenzyl)-3-[(Z)-2,4,5-trimethoxy-3-methylbenzylidene]-1-acetylpiperazine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-1-Acetyl-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-2,5-dione",NA,"CC1=C(C(=CC(=C1OC)OC)CC2C(=O)NC(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2C(=O)C)OC","QVHCDQLNIRHUJF-GRSHGNNSSA-N",5387227,NA,"PDBC27469","622069","Present",NA,NA
+"27470","6-(2,4-Diaminoquinazolin-6-yl)sulfanylquinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Quinazolinediamine, 6,6'-thiobis-",NA,"C1=CC2=C(C=C1SC3=CC4=C(C=C3)N=C(N=C4N)N)C(=NC(=N2)N)N","QHMGHVKETQACHI-UHFFFAOYSA-N",393413,NA,"PDBC27470","695267","Present",NA,NA
+"27471","6-(2,4-Dihydroxy-3-quinolinyl)-N-(3-hydroxyphenyl)-2,4-dioxo-5-hexenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2,4-Dihydroxy-3-quinolinyl)-N-(3-hydroxyphenyl)-2,4-dioxo-5-hexenamide",NA,"C1=CC=C2C(=C1)C(=C(C(=O)N2)C=CC(=O)CC(=O)C(=O)NC3=CC(=CC=C3)O)O","XIWXNBKRFZXUMO-CMDGGOBGSA-N",54719942,NA,"PDBC27471","649570","Present",NA,NA
+"27472","6-(2,4-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2,4-Dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"COC1=CC(=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4)OC","RSKUDFXPSUILEX-UHFFFAOYSA-N",374403,NA,"PDBC27472","652113","Present",NA,NA
+"27473","6-(2,5-Dichlorophenyl)-4-(4-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2',5'-dichloro-phenyl)-4(4'-flouro-phenyl) - 1H -pyra...",NA,"C1=CC(=CC=C1C2=CC(=NC3=NNC(=C23)N)C4=C(C=CC(=C4)Cl)Cl)F","SKGJUQFJXSWQSM-UHFFFAOYSA-N",24205058,NA,"PDBC27473","734133","Present",NA,NA
+"27474","6-(2,5-Dichlorophenyl)-4-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2',5'-dichloro-phenyl)-4(4'-methoxy-phenyl)-1H-pyrazo...",NA,"COC1=CC=C(C=C1)C2=CC(=NC3=NNC(=C23)N)C4=C(C=CC(=C4)Cl)Cl","PTZPDGXEKATIBA-UHFFFAOYSA-N",24205054,NA,"PDBC27474","734129","Present",NA,NA
+"27475","6-(2,5-Dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2,5-Dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde",NA,"C1=CC(=C(C=C1O)C2=C(N3C=CSC3=N2)C=O)O","MTECPXPMODJYGS-UHFFFAOYSA-N",11436870,NA,"PDBC27475","734218","Present",NA,NA
+"27476","6-(2,5-Dimethoxyanilino)-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2,5-Dimethoxyanilino)-9-methoxyindeno[1,2-c]quinolin-11-one",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3NC5=C(C=CC(=C5)OC)OC","VXKRGPMCVLYTBS-UHFFFAOYSA-N",24205582,NA,"PDBC27476","736191","Present",NA,NA
+"27477","6-(2,5-Dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6R,6S)-2,4-Diamino-6-(2,5-dimethoxybenzyl)-5,6,7,8-tetr...",NA,"COC1=CC(=C(C=C1)OC)CC2CCC3=C(C2)C(=NC(=N3)N)N","YGCBRLOKQASAIE-UHFFFAOYSA-N",484959,NA,"PDBC27477","696662","Present",NA,NA
+"27478","6-(2,5-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2,5-Dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","DHCDLLDPADKCKN-UHFFFAOYSA-N",374404,NA,"PDBC27478","652114","Present",NA,NA
+"27479","6-(2,5-d]Pyrimidin-6(7H)-one-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2,4-Difluorophenylmethylideneamino)-3-(4-fluorophenyl...",NA,"C1=CC(=CC=C1N2C3=C(C(=O)N(C=N3)N=CC4=C(C=C(C=C4)F)F)SC2=S)F","GAGZGMOACDAWNN-LIMNOBDPSA-N",9572600,NA,"PDBC27479","722185","Present",NA,NA
+"27480","6-(2,6-Dichlorophenyl)-2-(4-iodophenylamino)-8-methylpyrido[2,3-d]pyrimidin-7(8H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-iodophenylamino)-6-(2,6-dichlorophenyl)-8-methylpyr...",NA,"CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=C(C=C4)I","OKPRPWYLQUKXFE-UHFFFAOYSA-N",10029735,NA,"PDBC27480","735423","Present",NA,NA
+"27481","6-(2,6-Dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methylpyrido[2,3-D]pyrimidin-7(8H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-(hydroxymethyl)phenylamino)-6-(2,6-dichlorophenyl)-...",NA,"CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=CC(=C4)CO","ZIQFYVPVJZEOFS-UHFFFAOYSA-N",447700,NA,"PDBC27481","735424","Present",NA,NA
+"27482","6-(2,6-Dichlorophenyl)-8-methyl-2-(4-morpholin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-morpholinophenylamino)-6-(2,6-dichlorophenyl)-8-met...",NA,"CN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=CC=C3Cl)Cl)NC4=CC=C(C=C4)N5CCOCC5","XZEJMVDCQZRHLN-UHFFFAOYSA-N",5328733,NA,"PDBC27482","735422","Present",NA,NA
+"27483","6-(2-(1-Naphthyl)hydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(1-Naphthyl)hydrazino)-2,4-pyrimidinediol",NA,"C1=CC=C2C(=C1)C=CC=C2NNC3=CC(=O)NC(=O)N3","MFDXKIUENRQVLI-UHFFFAOYSA-N",385877,NA,"PDBC27483","677277","Present",NA,NA
+"27484","6-(2-(2-Ethylphenyl)hydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(2-Ethylphenyl)hydrazino)-2,4-pyrimidinediol",NA,"CCC1=CC=CC=C1NNC2=CC(=O)NC(=O)N2","ADUYEKOFCWDXPB-UHFFFAOYSA-N",385873,NA,"PDBC27484","677273","Present",NA,NA
+"27485","6-(2-(2-Fluorophenyl)hydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(2-Fluorophenyl)hydrazino)-2,4-pyrimidinediol",NA,"C1=CC=C(C(=C1)NNC2=CC(=O)NC(=O)N2)F","OHNOGQIAPVRWHB-UHFFFAOYSA-N",385878,NA,"PDBC27485","677278","Present",NA,NA
+"27486","6-(2-(3,4-Dichlorophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(3,4-Dichlorophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione",NA,"CN1C(=O)C=C(NC1=O)NNC2=CC(=C(C=C2)Cl)Cl","FAOJFOCQYMFFCE-UHFFFAOYSA-N",385871,NA,"PDBC27486","677271","Present",NA,NA
+"27487","6-(2-(3-Chlorophenyl)hydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(3-Chlorophenyl)hydrazino)-2,4-pyrimidinediol",NA,"C1=CC(=CC(=C1)Cl)NNC2=CC(=O)NC(=O)N2","JLJOTKKXGSPXNR-UHFFFAOYSA-N",385879,NA,"PDBC27487","677279","Present",NA,NA
+"27488","6-(2-(3-Fluorophenyl)hydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(3-Fluorophenyl)hydrazino)-2,4-pyrimidinediol",NA,"C1=CC(=CC(=C1)F)NNC2=CC(=O)NC(=O)N2","QOYJEQNZSPVDEP-UHFFFAOYSA-N",385880,NA,"PDBC27488","677280","Present",NA,NA
+"27489","6-(2-(3-Fluorophenyl)hydrazino)-2-mercapto-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(3-fluorophenyl)hydrazino]-2-sulfanyl-pyrimidin-4-ol",NA,"C1=CC(=CC(=C1)F)NNC2=CC(=O)NC(=S)N2","IGMIEXHTRBYSBU-UHFFFAOYSA-N",3005145,NA,"PDBC27489","677258","Present",NA,NA
+"27490","6-(2-(4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl)-1-hydroxyethyl)-3-methyl-1,3-benzoxazol-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[4-Piperonylpiperazin-1-yl]-1-hydroxyethyl]-3-methylbenzoxazol-2(3H)-one",NA,"CN1C2=C(C=C(C=C2)C(CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)O)OC1=O","DUADSNVEILLFPW-UHFFFAOYSA-N",384071,NA,"PDBC27490","673293","Present",NA,NA
+"27491","6-(2-(4-(Methylsulfonyl)phenyl)hydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(4-(Methylsulfonyl)phenyl)hydrazino)-2,4-pyrimidinediol",NA,"CS(=O)(=O)C1=CC=C(C=C1)NNC2=CC(=O)NC(=O)N2","HFKKYLMVYGCIBR-UHFFFAOYSA-N",385882,NA,"PDBC27491","677282","Present",NA,NA
+"27492","6-(2-(4-Bromophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(4-Bromophenyl)hydrazino)-3-methyl-2,4(1H,3H)-pyrimidinedione",NA,"CN1C(=O)C=C(NC1=O)NNC2=CC=C(C=C2)Br","OUHPTPPFKGQXKQ-UHFFFAOYSA-N",385869,NA,"PDBC27492","677268","Present",NA,NA
+"27493","6-(2-(4-Fluorophenyl)hydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(4-Fluorophenyl)hydrazino)-2,4-pyrimidinediol",NA,"C1=CC(=CC=C1NNC2=CC(=O)NC(=O)N2)F","KPQKXOVIWTWESX-UHFFFAOYSA-N",385886,NA,"PDBC27493","677286","Present",NA,NA
+"27494","6-(2-(Benzyloxy)ethyl)-7-(3-(phenylsulfonyl)propyl)-8-oxa-1-azabicyclo[3.2.1]octane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(benzyloxy)ethyl)-7-(3-(phenylsulfonyl)propyl)-8-ox...",NA,"C1CC2C(C(N(C1)O2)CCCS(=O)(=O)C3=CC=CC=C3)CCOCC4=CC=CC=C4","QETQYHWXDZFXAG-NHIDMIJISA-N",378413,NA,"PDBC27494","660832","Present",NA,NA
+"27495","6-(2-(Diethylamino)ethoxy)-2-9-dimethoxy-11H-indeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(diethylamino)ethoxy)-2-9-dimethoxy-11H-indeno[1,2-...",NA,"CCN(CC)CCOC1=NC2=C(C=C(C=C2)OC)C3=C1C4=C(C3=O)C=C(C=C4)OC","DKQAHBHGPUNTSH-UHFFFAOYSA-N",54673453,NA,"PDBC27495","754237","Present",NA,NA
+"27496","6-(2-(Diethylamino)ethyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(Diethylamino)ethyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione",NA,"CCN(CC)CCN1C(=O)C2=CC=CC=C2N3C1=NC4=C3C(=O)N(C(=O)N4C)C","BBXZOBBJFMADFW-UHFFFAOYSA-N",384892,NA,"PDBC27496","675574","Present",NA,NA
+"27497","6-(2-(Diethylamino)ethyl)-8,10-dimethylpyrido[3',2':5,6]pyrimido[2,1-f]purine-5,9,11(6H,8H,10H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-(Diethylamino)ethyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione",NA,"CCN(CC)CCN1C(=O)C2=C(N=CC=C2)N3C1=NC4=C3C(=O)N(C(=O)N4C)C","GIHXMCKNJAOPJQ-UHFFFAOYSA-N",384893,NA,"PDBC27497","675575","Present",NA,NA
+"27498","6-(2-(Propan-2-ylidene)hydrazinyl)-9H-purine-9-beta-D-riboside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(propan-2-ylidene)hydrazinyl)-9H-purine-9-beta-D-ri...",NA,"CC(=NNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C","MTMFOCHXZIRPQO-UHFFFAOYSA-N",60147745,NA,"PDBC27498","752330","Present",NA,NA
+"27499","6-(2-Acetyl-5-bromoanilino)quinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NNZSFLLODLQQBM-UHFFFAOYSA-",NA,"CC(=O)C1=C(C=C(C=C1)Br)NC2=CC(=O)C3=C(C2=O)C=CC=N3","NNZSFLLODLQQBM-UHFFFAOYSA-N",379706,NA,"PDBC27499","664579","Present",NA,NA
+"27500","6-(2-Amino-2-methylpropionamido)penicillanic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC86714",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)C(C)(C)N)C(=O)O)C","QRXBACILKXKZHO-GKROBHDKSA-N",258057,NA,"PDBC27500","86714","Present",NA,NA
+"27501","6-(2-Aminoethyl)-1,4-dihydroxyanthracene-9,10-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Aminoethyl)-1,4-dihydroxy-anthracene-9,10-dione hydrochloride",NA,"C1=CC2=C(C=C1CCN)C(=O)C3=C(C=CC(=C3C2=O)O)O.Cl","AZDIQNORLGWCRU-UHFFFAOYSA-N",396202,NA,"PDBC27501","701754","Present",NA,NA
+"27502","6-(2-Aminophenyl)-5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Aminophenyl)-5h-indeno[1,2-c]isoquinoline-5,11(6h)-dione",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C5=CC=CC=C5N","RFRQLHAASBLMJW-UHFFFAOYSA-N",265731,NA,"PDBC27502","102068","Present",NA,NA
+"27503","6-(2-Benzylhydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Benzylhydrazino)-2,4-pyrimidinediol",NA,"C1=CC=C(C=C1)CNNC2=CC(=O)NC(=O)N2","PYDBSZDGYZQQII-UHFFFAOYSA-N",385870,NA,"PDBC27503","677269","Present",NA,NA
+"27504","6-(2-Butynyl)-3-ethoxy-2-cyclohexen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Butynyl)-3-ethoxy-2-cyclohexen-1-one",NA,"CCOC1=CC(=O)C(CC1)CC#CC","JNAMITDVSNLXBU-UHFFFAOYSA-N",361356,NA,"PDBC27504","624382","Present",NA,NA
+"27505","6-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)-5-indanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Carboxy-3-(2,3-dihydro-1H-inden-5-yl)propyl)-5-indanecarboxylic acid",NA,"C1CC2=C(C1)C=C(C=C2)CC(CC3=C(C=C4CCCC4=C3)C(=O)O)C(=O)O","YAVADTCKKPLTJJ-UHFFFAOYSA-N",385646,NA,"PDBC27505","676993","Present",NA,NA
+"27506","6-(2-Carboxy-3-phenylpropyl)-5-indanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Carboxy-3-phenylpropyl)-5-indanecarboxylic acid",NA,"C1CC2=CC(=C(C=C2C1)C(=O)O)CC(CC3=CC=CC=C3)C(=O)O","UNHANYSHVHZMDL-UHFFFAOYSA-N",385644,NA,"PDBC27506","676991","Present",NA,NA
+"27507","6-(2-Chloroethyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Chloroethyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one",NA,"CC1=C(C(=O)N2C=NNC2=N1)CCCl","XZORPSOVAMQZOG-UHFFFAOYSA-N",379145,NA,"PDBC27507","663546","Present",NA,NA
+"27508","6-(2-Chloroethyl)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Chloroethyl)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one",NA,"CC1=C(C(=O)N2C=CN=C2N1)CCCl","MLBLRYDEFOCXOY-UHFFFAOYSA-N",378332,NA,"PDBC27508","660341","Present",NA,NA
+"27509","6-(2-Chlorophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(2-chlorophenyl)-",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CC=C4Cl","SHMPNORMVOCNRJ-UHFFFAOYSA-N",376376,NA,"PDBC27509","657278","Present",NA,NA
+"27510","6-(2-Chlorophenyl)-3-[8-[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-chlorophenyl)-3-[8-[6-(2-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC=C(C(=C1)C2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)C6=CC=CC=C6Cl)Cl","CVLWNXJQGRZCNU-UHFFFAOYSA-N",395663,NA,"PDBC27510","700445","Present",NA,NA
+"27511","6-(2-Dimethylaminoethylamino)benzo[e]perimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Dimethylaminoethylamino)benzo[e]perimidin-7-one",NA,"CN(C)CCNC1=C2C3=C(C=C1)N=CN=C3C4=CC=CC=C4C2=O","JAWUYNKUGTXXBO-UHFFFAOYSA-N",438787,NA,"PDBC27511","669965","Present",NA,NA
+"27512","6-(2-Ethoxyphenyl)-3-phenyl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Ethoxyphenyl)-3-phenyl-5,7-dihydro-[1,2,4]triazolo[3,4-b][1,3,5]thiadiazine",NA,"CCOC1=CC=CC=C1N2CN3C(=NN=C3SC2)C4=CC=CC=C4","CNBLFSCTOANWLF-UHFFFAOYSA-N",391714,NA,"PDBC27512","691254","Present",NA,NA
+"27513","6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8(5H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8(5H)-thione, 6-(2-fluorophen...",NA,"C1OC2=C(O1)C=C3C(=C2)C(=S)C=C(N3)C4=CC=CC=C4F","RTKBTOBVVVSYDO-UHFFFAOYSA-N",3910131,NA,"PDBC27513","700269","Present",NA,NA
+"27514","6-(2-Fluorophenyl)-7-hydroxy-6,7-dihydro[1,3]dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-(2-fluorophenyl)...",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C(C(N3)C4=CC=CC=C4F)O","VRYVHYNUXXKSBQ-UHFFFAOYSA-N",395568,NA,"PDBC27514","700274","Present",NA,NA
+"27515","6-(2-Furyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Furyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CO4","BBSBPOLEPQRKSF-UHFFFAOYSA-N",373176,NA,"PDBC27515","649125","Present",NA,NA
+"27516","6-(2-Furyl)-2-[[2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]-4-(2-nitrophenyl)-1-(4-pyridyl)-3,4-dihydro-2H-pyridine-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(1-Carboxy-2-hydroxyethyl)carbamoyl]-6-(furan-2-yl)-4-(2-nitrophenyl)-1-pyridin-4-yl-3,4-dihydro-2H-pyridine-3-carboxylic acid",NA,"C1=CC=C(C(=C1)C2C=C(N(C(C2C(=O)O)C(=O)NC(CO)C(=O)O)C3=CC=NC=C3)C4=CC=CO4)[N+](=O)[O-]","MFORGCBBPNSZSD-UHFFFAOYSA-N",392304,NA,"PDBC27516","692580","Present",NA,NA
+"27517","6-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylic acid",NA,"C1=CC=C(C(=C1)C2C=C(N(C(=C2C(=O)O)C(=O)O)C3=CC=NC=C3)C4=CC=CO4)[N+](=O)[O-]","XMAWITGDXLGXBE-UHFFFAOYSA-N",392302,NA,"PDBC27517","692578","Present",NA,NA
+"27518","6-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-3-carboxylic acid",NA,"C1=CC=C(C(=C1)C2C=C(N(C=C2C(=O)O)C3=CC=NC=C3)C4=CC=CO4)[N+](=O)[O-]","UYWYEVMQWWMDHS-UHFFFAOYSA-N",392306,NA,"PDBC27518","692582","Present",NA,NA
+"27519","6-(2-Furyl)-4-morpholino-2-thioxo-1H-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Furyl)-4-morpholino-2-thioxo-1H-pyrimidine-5-carbonitrile",NA,"C1COCCN1C2=NC(=S)NC(=C2C#N)C3=CC=CO3","VYGRDYUATGUHGI-UHFFFAOYSA-N",45028810,NA,"PDBC27519","744450","Present",NA,NA
+"27520","6-(2-Hydroxy-3-methoxybenzyl)aminopurine-9-riboside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-hydroxy-3-methoxybenzyl)aminopurine-9-riboside",NA,"COC1=CC=CC(=C1O)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O","SJHYLQCPNOPCPE-UHFFFAOYSA-N",45028717,NA,"PDBC27520","743891","Present",NA,NA
+"27521","6-(2-Hydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Hydroxy-5-methylphenyl)-4-(4-methoxyphenyl)-1H-pyrimidin-2-one",NA,"CC1=CC(=C(C=C1)O)C2=CC(=NC(=O)N2)C3=CC=C(C=C3)OC","QOEGUJGHJXQZKN-UHFFFAOYSA-N",359845,NA,"PDBC27521","621455","Present",NA,NA
+"27522","6-(2-Hydroxyethyl)-2,2-dioctyl-1,3,6,2-dioxazastannocane-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Hydroxyethyl)-2,2-dioctyl-1,3,6,2-dioxazastannocane-4,8-dione",NA,NA,NA,NA,NA,"PDBC27522","628567","Present",NA,NA
+"27523","6-(2-Hydroxyethyl)-5-methyltetraazolo[1,5-a]pyrimidin-7(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Hydroxyethyl)-5-methyltetraazolo[1,5-a]pyrimidin-7(3H)-one",NA,"CC1=C(C(=O)N2C(=N1)N=NN2)CCO","NVTPXYPSKJOOPO-UHFFFAOYSA-N",379755,NA,"PDBC27523","664727","Present",NA,NA
+"27524","6-(2-Hydroxyethyl)-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Indeno[1,2-c]isoquinoline-5,11(6H)-dione, 6-(2-hydrox...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCO","UHXGJXGJNJTBRV-UHFFFAOYSA-N",334474,NA,"PDBC27524","339705","Present",NA,NA
+"27525","6-(2-Hydroxyethyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Hydroxyethyl)-7-methyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one",NA,"CC1=C(C(=O)N2C=NNC2=N1)CCO","IWRMQEDJXXCKNT-UHFFFAOYSA-N",379144,NA,"PDBC27525","663545","Present",NA,NA
+"27526","6-(2-Hydroxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Hydroxyethyl)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one",NA,"CC1=C(C(=O)N2C=CN=C2N1)CCO","YQWVHVDRCIBXGV-UHFFFAOYSA-N",377281,NA,"PDBC27526","658534","Present",NA,NA
+"27527","6-(2-Hydroxyethyl)-7-phenyl[1,6]naphthyridin-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Hydroxyethyl)-7-phenyl[1,6]naphthyridin-5(6H)-one",NA,"C1=CC=C(C=C1)C2=CC3=C(C=CC=N3)C(=O)N2CCO","LEYKUYYKGCUASZ-UHFFFAOYSA-N",380392,NA,"PDBC27527","665909","Present",NA,NA
+"27528","6-(2-Methoxyethoxymethoxy)-2,2-dimethyl-4-prop-2-enyl-4H-1,3-benzodioxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Methoxyethoxymethoxy)-2,2-dimethyl-4-prop-2-enyl-4H-1,3-benzodioxine",NA,"CC1(OC(C2=C(O1)C=CC(=C2)OCOCCOC)CC=C)C","XHTYKXHQRLMWRR-UHFFFAOYSA-N",358362,NA,"PDBC27528","618328","Present",NA,NA
+"27529","6-(2-Methoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Methoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"COC1=CC=CC=C1C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","FMFZHVAQMJFXDO-UHFFFAOYSA-N",373170,NA,"PDBC27529","649119","Present",NA,NA
+"27530","6-(2-Methyl-2-phenylhydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Methyl-2-phenylhydrazino)-2,4-pyrimidinediol",NA,"CN(C1=CC=CC=C1)NC2=CC(=O)NC(=O)N2","CKYKQAHCUJSVQS-UHFFFAOYSA-N",385883,NA,"PDBC27530","677283","Present",NA,NA
+"27531","6-(2-Methylpropyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Methylpropyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile",NA,"CC(C)CC1=CC(=C(C(=O)N1)C#N)C2=CC=CN2C","KREQRUWUIOPGBR-UHFFFAOYSA-N",24205320,NA,"PDBC27531","735027","Present",NA,NA
+"27532","6-(2-Morpholin-4-ylethylsulfanyl)-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Morpholinoethylsulfanyl)-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one",NA,"C1COCCN1CCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","DXCUDBDYGIVXCN-UHFFFAOYSA-N",396743,NA,"PDBC27532","703453","Present",NA,NA
+"27533","6-(2-Morpholino-2-thioxo-ethyl)-3H-1,3-benzothiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Morpholino-2-thioxo-ethyl)-3H-1,3-benzothiazol-2-one",NA,"C1COCCN1C(=S)CC2=CC3=C(C=C2)NC(=O)S3","ZMIUCVGMDFQPNV-UHFFFAOYSA-N",391470,NA,"PDBC27533","690675","Present",NA,NA
+"27534","6-(2-Morpholino-2-thioxo-ethyl)-3H-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Morpholino-2-thioxo-ethyl)-3H-1,3-benzoxazol-2-one",NA,"C1COCCN1C(=S)CC2=CC3=C(C=C2)NC(=O)O3","GUOOKKTVAJJJNX-UHFFFAOYSA-N",391457,NA,"PDBC27534","690661","Present",NA,NA
+"27535","6-(2-Morpholinoacetyl)-3-(2-morpholinoethyl)-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Morpholinoacetyl)-3-(2-morpholinoethyl)-1,3-benzoxazol-2-one",NA,"C1COCCN1CCN2C3=C(C=C(C=C3)C(=O)CN4CCOCC4)OC2=O","MMXXGWXDMPFTDX-UHFFFAOYSA-N",391453,NA,"PDBC27535","690657","Present",NA,NA
+"27536","6-(2-Naphthyl)-4,6-dioxo-N-(3-(trifluoromethyl)phenyl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Naphthyl)-4,6-dioxo-N-(3-(trifluoromethyl)phenyl)hexanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F","RCKSEMPBRZFDTG-UHFFFAOYSA-N",360436,NA,"PDBC27536","622572","Present",NA,NA
+"27537","6-(2-Naphthylmethyl)-7H-benzo[de]anthracen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Naphthylmethyl)benzo[a]phenalen-7-one",NA,"C1=CC=C2C=C(C=CC2=C1)CC3=C4C5=C(C=CC=C5C6=CC=CC=C6C4=O)C=C3","GSMPDWKAFABVGJ-UHFFFAOYSA-N",365540,NA,"PDBC27537","633240","Present",NA,NA
+"27538","6-(2-Phenylhydrazino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Phenylhydrazino)-2,4-pyrimidinediol",NA,"C1=CC=C(C=C1)NNC2=CC(=O)NC(=O)N2","SKXCLZITDKRUMF-UHFFFAOYSA-N",385885,NA,"PDBC27538","677285","Present",NA,NA
+"27539","6-(2-Prop-2-enoxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol hydrochloride",NA,"C=CCOC1=CC=CC=C1C2(C3=CC=CC=C3C4=NCCCN42)O.Cl","RZDQRFCKZZLYSR-UHFFFAOYSA-N",395633,NA,"PDBC27539","700416","Present",NA,NA
+"27540","6-(2-Propynyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Propynyl)-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione",NA,"C#CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","UMRYKNVDLHXTAA-UHFFFAOYSA-N",334955,NA,"PDBC27540","342609","Present",NA,NA
+"27541","6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Pyridyl)-2,4,4-Trimethyl-3-Hexanone",NA,"CC(C)C(=O)C(C)(C)CCC1=CC=CC=N1","AFRSTASSLOUGOV-UHFFFAOYSA-N",238356,NA,"PDBC27541","42688","Present",NA,NA
+"27542","6-(3'-Aminopropyl)-11-[3'-aminopropylidene]5,3-d imethoxy-8,9-methylenedioxy-5-oxo-11H-indeno[1,2-c]isoquinol ine Dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3'-Aminopropyl)-11-[3'-aminopropylidene]5,6-dihydro-2...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=CCCN)OCO5)N(C2=O)CCCN)OC.Cl","UOSPTSMIFNCBAH-OCSIRBNJSA-N",45027875,NA,"PDBC27542","730435","Present",NA,NA
+"27543","6-(3,3-Dimethyl-1-triazenyl)-2-ethyl-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Ethyl-3H-benzimidazol-5-yl)azo]-N-methyl-methanamine",NA,"CCC1=NC2=C(N1)C=C(C=C2)N=NN(C)C","ALDYMOVIRQWCSN-UHFFFAOYSA-N",388589,NA,"PDBC27543","683599","Present",NA,NA
+"27544","6-(3,4,5-Trimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6R,6S)-2,4-Diamino-6-(3,4,5-trimethoxybenzyl)-5,6,7,8-t...",NA,"COC1=CC(=CC(=C1OC)OC)CC2CCC3=C(C2)C(=NC(=N3)N)N","CEJLKULOOMMHNK-UHFFFAOYSA-N",484961,NA,"PDBC27544","696661","Present",NA,NA
+"27545","6-(3,4,5-Trimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3,4,5-Trimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","MUPGULYIRYEJSB-UHFFFAOYSA-N",374406,NA,"PDBC27545","652116","Present",NA,NA
+"27546","6-(3,4-Dichlorophenoxy)-1,3,5-triazine-2,4-dithiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Triazine-2,4-dithiol, 6-(3,4-dichlorophenoxy)-",NA,"C1=CC(=C(C=C1OC2=NC(=S)NC(=S)N2)Cl)Cl","IUUDWMJJBJLTDS-UHFFFAOYSA-N",3004211,NA,"PDBC27546","636114","Present",NA,NA
+"27547","6-(3,4-Dimethoxybenzyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6R,6S)-2,4-Diamino-6-(3,4-dimethoxybenzyl)-5,6,7,8-tetr...",NA,"COC1=C(C=C(C=C1)CC2CCC3=C(C2)C(=NC(=N3)N)N)OC","XVXBYTNVUPDKPO-UHFFFAOYSA-N",484960,NA,"PDBC27547","696660","Present",NA,NA
+"27548","6-(3,4-Dimethoxybenzyl)-8-(3,4,5-trimethoxyphenyl)-4,5-dihydro-6H-1-oxa-2,6,7-triaza-as-indacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3,4-dimethoxylbenzyl)-8-(3,4,5-trimethoxyphenyl)l-5,6...",NA,"COC1=C(C=C(C=C1)CN2C3=C(C4=C(CC3)C=NO4)C(=N2)C5=CC(=C(C(=C5)OC)OC)OC)OC","LGHKDCDXOYHZLA-UHFFFAOYSA-N",71769022,NA,"PDBC27548","760263","Present",NA,NA
+"27549","6-(3,4-Dimethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3,4-Dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"COC1=C(C=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4)OC","VNNVVLQSFWKLGZ-UHFFFAOYSA-N",374401,NA,"PDBC27549","652111","Present",NA,NA
+"27550","6-(3,4-Dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3,4-Dimethoxyphenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile",NA,"CN1C=CC=C1C2=C(C(=O)NC(=C2)C3=CC(=C(C=C3)OC)OC)C#N","BFQYRDFDFHLBLX-UHFFFAOYSA-N",19656600,NA,"PDBC27550","735021","Present",NA,NA
+"27551","6-(3,4-Dimethoxyphenyl)-5-ethyl-4-hydroxypyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3,4-Dimethoxyphenyl)-5-ethyl-4-hydroxypyran-2-one",NA,"CCC1=C(OC(=O)C=C1O)C2=CC(=C(C=C2)OC)OC","GOWOXVXKXFGFTH-UHFFFAOYSA-N",54687680,NA,"PDBC27551","687163","Present",NA,NA
+"27552","6-(3,4-Dimethoxyphenyl)-7,8-dihydronaphtho(2,3-d)(1,3)dioxol-5(6H)-one O-acetyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3,4-Dimethoxyphenyl)-7,8-dihydronaphtho(2,3-d)(1,3)dioxol-5(6H)-one O-acetyloxime",NA,"CC(=O)ON=C1C(CCC2=CC3=C(C=C21)OCO3)C4=CC(=C(C=C4)OC)OC","ZLNILMHQBVKPMC-QURGRASLSA-N",6078604,NA,"PDBC27552","162497","Present",NA,NA
+"27553","6-(3,4-Dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3,4-Dimethoxyphenyl)-7-(4-methoxyphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one",NA,"COC1=CC=C(C=C1)C2=C(C(=O)N3CCCC3C2)C4=CC(=C(C=C4)OC)OC","NFGKYXUHHNKSTQ-UHFFFAOYSA-N",24202598,NA,"PDBC27553","707909","Present",NA,NA
+"27554","6-(3-(4-Morpholinyl)propyl)-8-oxa-6-azabicyclo[3.2.1]octane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(4-Morpholinyl)propyl)-8-oxa-6-azabicyclo[3.2.1]octane",NA,"C1CC2CN(C(C1)O2)CCCN3CCOCC3","FSIMALIYJGZLBF-UHFFFAOYSA-N",265980,NA,"PDBC27554","102852","Present",NA,NA
+"27555","6-(3-(Diethylamino)propyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(Diethylamino)propyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione",NA,"CCN(CC)CCCN1C(=O)C2=CC=CC=C2N3C1=NC4=C3C(=O)N(C(=O)N4C)C","GBRZXYYLOFUEIO-UHFFFAOYSA-N",384894,NA,"PDBC27555","675576","Present",NA,NA
+"27556","6-(3-(Diethylamino)propyl)-8,10-dimethylpyrido[3',2':5,6]pyrimido[2,1-f]purine-5,9,11(6H,8H,10H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[3-(Diethylamino)propyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione",NA,"CCN(CC)CCCN1C(=O)C2=C(N=CC=C2)N3C1=NC4=C3C(=O)N(C(=O)N4C)C","DOVFXTDHEPTNRJ-UHFFFAOYSA-N",384895,NA,"PDBC27556","675577","Present",NA,NA
+"27557","6-(3-(Dimethylamino)ethoxy)-2,3,9-trimethoxy-11H-indeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(dimethylamino)ethoxy)-2,3,9-trimethoxy-11H-indeno[...",NA,"CCN(CC)CCOC1=NC2=CC(=C(C=C2C3=C1C4=C(C3=O)C=C(C=C4)OC)OC)OC","RMSUVPXXLDCLPO-UHFFFAOYSA-N",54673460,NA,"PDBC27557","754238","Present",NA,NA
+"27558","6-(3-(Mercaptomethyl)-4-methylanilino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(Mercaptomethyl)-4-methylanilino)-2,4-pyrimidinediol",NA,"CC1=C(C=C(C=C1)NC2=CC(=O)NC(=O)N2)CS","CLYHYZJTLDJJSP-UHFFFAOYSA-N",388639,NA,"PDBC27558","683651","Present",NA,NA
+"27559","6-(3-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one",NA,"CC(=O)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC","DOAOMJYDQIZIPK-UHFFFAOYSA-N",24205211,NA,"PDBC27559","734629","Present",NA,NA
+"27560","6-(3-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Allyloxyphenyl)-3,4-dihydro-2h-pyrimido[1,2-b]isoindol-6-ol",NA,"C=CCOC1=CC=CC(=C1)C2(C3=CC=CC=C3C4=NCCCN42)O.Cl","BPECPXIFGVYSCQ-UHFFFAOYSA-N",395631,NA,"PDBC27560","700415","Present",NA,NA
+"27561","6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Amino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)N","UOUWLYLXVPBLPW-UHFFFAOYSA-N",375857,NA,"PDBC27561","656155","Present",NA,NA
+"27562","6-(3-Aminopropropyl)-5,11-diox o-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","GRBOMQHBPDTXLA-UHFFFAOYSA-N",16098829,NA,"PDBC27562","733884","Present",NA,NA
+"27563","6-(3-Aminopropyl)-13-[3-[(2-methoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-aminopropyl)-7-(3-((2-methoxybenzyl)amino)propyl)be...",NA,"COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCN)C2=O","CFPBBKXHRQMBOK-UHFFFAOYSA-N",137656417,NA,"PDBC27563","772289","Present",NA,NA
+"27564","6-(3-Aminopropyl)-5,11-dioxo-1 1H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-7-methoxy-3-nitro-5,11-dio...",NA,"COC1=CC=CC2=C1C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","GETQJKLTHBKBRW-UHFFFAOYSA-N",16098812,NA,"PDBC27564","736679","Present",NA,NA
+"27565","6-(3-Aminopropyl)-5,11-dioxo-11H-inden o[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-9-methoxy-5,11-dioxo-11H-i...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN.Cl","QTQXPPPSCGWDHW-UHFFFAOYSA-N",17755854,NA,"PDBC27565","736988","Present",NA,NA
+"27566","6-(3-Aminopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro-...",NA,"COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","NQWBFTIDOATMLE-UHFFFAOYSA-N",17756089,NA,"PDBC27566","741106","Present",NA,NA
+"27567","6-(3-Aminopropyl)-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline Hydrochloride salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-ind...",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","PIDKEDFMLRLYDS-UHFFFAOYSA-N",17756085,NA,"PDBC27567","731155","Present",NA,NA
+"27568","6-(3-Aminopropyl)-5,11-dioxo-9-phenyl-1 1H[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihbydro-3-nitro-5,11-dioxo-9-phen...",NA,"C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN.Cl","HODQATQLONCASF-UHFFFAOYSA-N",17755120,NA,"PDBC27568","737671","Present",NA,NA
+"27569","6-(3-Aminopropyl)-5,11-dioxo-9-thiomethy l-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-thiom...",NA,"CSC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","OJMHNCMPKJEMAQ-UHFFFAOYSA-N",17756083,NA,"PDBC27569","736680","Present",NA,NA
+"27570","6-(3-Aminopropyl)-5,3,9-trimethoxy-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-diox...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN)OC)OC.Cl","QTQUYDAACMUGIW-UHFFFAOYSA-N",17755517,NA,"PDBC27570","737344","Present",NA,NA
+"27571","6-(3-Aminopropyl)-5,3-dimethoxy-5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-2,3-dimethoxy-5,11-dioxo-1...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN)OC.Cl","IQFQLZVJPMXAQB-UHFFFAOYSA-N",17755622,NA,"PDBC27571","733501","Present",NA,NA
+"27572","6-(3-Aminopropyl)-5,3-dimethoxy-9-dimethylamino-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrocloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-2,3-dimethoxy-9-dimethylam...",NA,"CN(C)C1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN)OC)OC.Cl","ZXHLDDURBYMMMW-UHFFFAOYSA-N",17755515,NA,"PDBC27572","740506","Present",NA,NA
+"27573","6-(3-Aminopropyl)-5,3-dimethoxy-9-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-2,3-dimethoxy-9-nitro-5,11...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N(C2=O)CCCN)OC.Cl","BTEDTMKQLBHEHP-UHFFFAOYSA-N",17755630,NA,"PDBC27573","740649","Present",NA,NA
+"27574","6-(3-Aminopropyl)-5,3-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-2,3-methylenedioxy-5,11-di...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C5=CC=CC=C5C4=O)N(C3=O)CCCN.Cl","LVRUUJAOYCVRGR-UHFFFAOYSA-N",45027885,NA,"PDBC27574","732939","Present",NA,NA
+"27575","6-(3-Aminopropyl)-5,8,9-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5...",NA,"COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN)OC)OC.Cl","NQKWCQPQILVCOF-UHFFFAOYSA-N",16098808,NA,"PDBC27575","734287","Present",NA,NA
+"27576","6-(3-Aminopropyl)-5,8-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-7,8-dimethoxy-3-nitro-5,11...",NA,"COC1=C(C2=C(C=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN)OC.Cl","DALCHCQXVLJXEG-UHFFFAOYSA-N",16098810,NA,"PDBC27576","734563","Present",NA,NA
+"27577","6-(3-Aminopropyl)-5,9,10-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-8,9,10-trimethoxy-3-nitro-...",NA,"COC1=C(C(=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN)OC)OC.Cl","BKNKHVRDZPSVMV-UHFFFAOYSA-N",16098832,NA,"PDBC27577","733652","Present",NA,NA
+"27578","6-(3-Aminopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11...",NA,"COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN)OC.Cl","PFHAHEOYVLNKRF-UHFFFAOYSA-N",16098827,NA,"PDBC27578","734141","Present",NA,NA
+"27579","6-(3-Aminopropyl)-9-bromo-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-9-bromo-5,6-dihydro-3-nitro-5,11-dioxo...",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Br)CCCN.Cl","NXGGPXFLOUDJQA-UHFFFAOYSA-N",17755124,NA,"PDBC27579","734562","Present",NA,NA
+"27580","6-(3-Aminopropyl)-9-chloro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-9-chloro-5,6-dihydro-3-nitro-5,11-diox...",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Cl)CCCN.Cl","XTKGQTSHYLAVAZ-UHFFFAOYSA-N",17756087,NA,"PDBC27580","736494","Present",NA,NA
+"27581","6-(3-Aminopropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-dioxo...",NA,"C1=CC2=C(C=C1C#N)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN.Cl","ORWUSSJLUPFYCH-UHFFFAOYSA-N",17755128,NA,"PDBC27581","741107","Present",NA,NA
+"27582","6-(3-Aminopropyl)-9-ethyl-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-9-ethyl-5,6-dihydro-3-nitro-5,11-dioxo...",NA,"CCC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","ARFOLRUAJUZGDR-UHFFFAOYSA-N",17756081,NA,"PDBC27582","740032","Present",NA,NA
+"27583","6-(3-Aminopropyl)-9-ethyl-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-9-ethyl-5,6-dihydro-2,3-dimethoxy-5,11...",NA,"CCC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN)OC)OC.Cl","QTQJTAKJJYEFIL-UHFFFAOYSA-N",17755519,NA,"PDBC27583","740272","Present",NA,NA
+"27584","6-(3-Aminopropyl)-9-fluoro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-9-fluoro-5,6-dihydro-3-nitro-5,11-diox...",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)F)CCCN.Cl","QNAFRBBDLMXZEZ-UHFFFAOYSA-N",17755122,NA,"PDBC27584","736394","Present",NA,NA
+"27585","6-(3-Aminopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Aminopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)F)N(C2=O)CCCN)OC.Cl","RHCXFNZISKKIPX-UHFFFAOYSA-N",17755624,NA,"PDBC27585","740564","Present",NA,NA
+"27586","6-(3-Amonopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Amonopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox...",NA,"CC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","KQYKHXWUEJKHDY-UHFFFAOYSA-N",17755118,NA,"PDBC27586","736116","Present",NA,NA
+"27587","6-(3-Azido-4-methyl-anilino)-1,3,5-triazine-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azido-4-methyl-anilino)-1,3,5-triazine-2,4-diol",NA,"CC1=C(C=C(C=C1)NC2=NC(=O)NC(=O)N2)N=[N+]=[N-]","XMHLSHRNGOEAQU-UHFFFAOYSA-N",3005203,NA,"PDBC27587","681705","Present",NA,NA
+"27588","6-(3-Azido-propyl)-2,11-dioxo-5,11-dihydro-6 H-indeno[1,2-c]isoquinoline-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azido-propyl)-2,3-dimethoxthy-5,11-dioxo-5,11-dihyd...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C#N)N(C2=O)CCCN=[N+]=[N-])OC","CHNNBYMXFXINAT-UHFFFAOYSA-N",17755511,NA,"PDBC27588","734749","Present",NA,NA
+"27589","6-(3-Azido-propyl)-2,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinoline-9-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azido-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydro...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C(=O)OC)N(C2=O)CCCN=[N+]=[N-])OC","JKTYFKHQOKTNRA-UHFFFAOYSA-N",17755410,NA,"PDBC27589","734905","Present",NA,NA
+"27590","6-(3-Azidopropyl)-3-(dimethylamino)-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-9-methoxy-3-dimethylamino-...",NA,"CN(C)C1=CC2=C(C=C1)C3=C(C4=C(C3=O)C=C(C=C4)OC)N(C2=O)CCCN=[N+]=[N-]","QPJCSRLYQFUZED-UHFFFAOYSA-N",45028368,NA,"PDBC27590","742344","Present",NA,NA
+"27591","6-(3-Azidopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox...",NA,"CC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","RIWGJOJRKFJJKH-UHFFFAOYSA-N",17756605,NA,"PDBC27591","736115","Present",NA,NA
+"27592","6-(3-Azidopropyl)-5,11-dioxo-11H-inden o[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-9-methoxy-5,11-dioxo-11H-i...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN=[N+]=[N-]","QKLHJXNWYGPWJU-UHFFFAOYSA-N",17755637,NA,"PDBC27592","736873","Present",NA,NA
+"27593","6-(3-Azidopropyl)-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-ind...",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","LXCKTBKQPKICDR-UHFFFAOYSA-N",17755021,NA,"PDBC27593","731153","Present",NA,NA
+"27594","6-(3-Azidopropyl)-5,11-dioxo-9-phenyl-11 H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-pheny...",NA,"C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN=[N+]=[N-]","MQDHUCKFWIVZQT-UHFFFAOYSA-N",17755971,NA,"PDBC27594","737668","Present",NA,NA
+"27595","6-(3-Azidopropyl)-5,3,9-trimethoxy-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-diox...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN=[N+]=[N-])OC)OC","VTFXWANSFWRZBM-UHFFFAOYSA-N",17755406,NA,"PDBC27595","737342","Present",NA,NA
+"27596","6-(3-Azidopropyl)-5,3-dimethoxy-5,11-dioxo-11H-i ndeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-2,3-dimethoxy-5,11-dioxo-1...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCN=[N+]=[N-])OC","JBTBHCRLGRFDCK-UHFFFAOYSA-N",17755408,NA,"PDBC27596","732937","Present",NA,NA
+"27597","6-(3-Azidopropyl)-5,3-dimethoxy-9-dimethylamino-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-2,3-dimethoxy-9-dimethylam...",NA,"CN(C)C1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN=[N+]=[N-])OC)OC","QAFPLMHPQNROJJ-UHFFFAOYSA-N",17755405,NA,"PDBC27597","740278","Present",NA,NA
+"27598","6-(3-Azidopropyl)-5,3-dimethoxy-9-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-2,3-dimethoxy-9-nitro-5,11...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])N(C2=O)CCCN=[N+]=[N-])OC","RLIDCXQQPTVQRM-UHFFFAOYSA-N",17755512,NA,"PDBC27598","740563","Present",NA,NA
+"27599","6-(3-Azidopropyl)-5,3-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-2,3-methylenedioxy-5,11-di...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C5=CC=CC=C5C4=O)N(C3=O)CCCN=[N+]=[N-]","FXXHNMNGYZIBJK-UHFFFAOYSA-N",45027884,NA,"PDBC27599","732938","Present",NA,NA
+"27600","6-(3-Azidopropyl)-5,8,9-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5...",NA,"COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN=[N+]=[N-])OC)OC","JWARDERTCDRHAM-UHFFFAOYSA-N",16098824,NA,"PDBC27600","734295","Present",NA,NA
+"27601","6-(3-Azidopropyl)-5,8-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-7,8-dimethoxy-3-nitro-5,11...",NA,"COC1=C(C2=C(C=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN=[N+]=[N-])OC","LIKRUARCALWBDA-UHFFFAOYSA-N",16098825,NA,"PDBC27601","734288","Present",NA,NA
+"27602","6-(3-Azidopropyl)-5,9,10-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-8,9,10-trimethoxy-3-nitro-...",NA,"COC1=C(C(=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-])OC)OC","NVMQERCTMIMUDL-UHFFFAOYSA-N",16098815,NA,"PDBC27602","733651","Present",NA,NA
+"27603","6-(3-Azidopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11...",NA,"COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-])OC","NDLSGLJKKMUKJQ-UHFFFAOYSA-N",16098806,NA,"PDBC27603","733653","Present",NA,NA
+"27604","6-(3-Azidopropyl)-5,9-methylenedioxy-3-nitro-5,1 1-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-8,9-methylenedioxy-3-nitro...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN=[N+]=[N-]","VFQHMKRQVRHHLQ-UHFFFAOYSA-N",10070686,NA,"PDBC27604","728979","Present",NA,NA
+"27605","6-(3-Azidopropyl)-5,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-8,9-methylenedioxy-5,11-di...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC=CC=C5C(=O)N4CCCN=[N+]=[N-]","BZTVVGVIZNCMCL-UHFFFAOYSA-N",11280256,NA,"PDBC27605","731543","Present",NA,NA
+"27606","6-(3-Azidopropyl)-9-bromo-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-9-bromo-5,6-dihydro-3-nitro-5,11-dioxo...",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Br)CCCN=[N+]=[N-]","QKWFJZQRLCJDSG-UHFFFAOYSA-N",17755973,NA,"PDBC27606","734289","Present",NA,NA
+"27607","6-(3-Azidopropyl)-9-bromoindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-azidopropyl)-9-bromo-5,6-dihydro-5,11-dioxo-11H-ind...",NA,"C1=CC=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)Br)N(C2=O)CCCN=[N+]=[N-]","SZWHSQHBOONWGO-UHFFFAOYSA-N",45027899,NA,"PDBC27607","735859","Present",NA,NA
+"27608","6-(3-Azidopropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-dioxo...",NA,"C1=CC2=C(C=C1C#N)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCN=[N+]=[N-]","KAMMDTWJOXJLIA-UHFFFAOYSA-N",17755024,NA,"PDBC27608","740974","Present",NA,NA
+"27609","6-(3-Azidopropyl)-9-ethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-9-ethoxy-5,6-dihydro-3-nitro-5,11-diox...",NA,"CCOC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","UZELVQXOBSGOKP-UHFFFAOYSA-N",17756604,NA,"PDBC27609","740643","Present",NA,NA
+"27610","6-(3-Azidopropyl)-9-ethyl-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-9-ethyl-5,6-dihydro-3-nitro-5,11-dioxo...",NA,"CCC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","HSMPGXICDZODOM-UHFFFAOYSA-N",17755970,NA,"PDBC27610","737778","Present",NA,NA
+"27611","6-(3-Azidopropyl)-9-ethyl-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-9-ethyl-5,6-dihydro-2,3-dimethoxy-5,11...",NA,"CCC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN=[N+]=[N-])OC)OC","LLUTXFJOTYJIAC-UHFFFAOYSA-N",17755407,NA,"PDBC27611","740273","Present",NA,NA
+"27612","6-(3-Azidopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)F)N(C2=O)CCCN=[N+]=[N-])OC","CXYWBXHQOFSIJB-UHFFFAOYSA-N",17755409,NA,"PDBC27612","740524","Present",NA,NA
+"27613","6-(3-Azidopropyl)-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-dio...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","FQDYRTACDWAHEM-UHFFFAOYSA-N",16098807,NA,"PDBC27613","733882","Present",NA,NA
+"27614","6-(3-Bromo-5-chloro-2-hydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromo-5-chloro-2-hydroxyphenyl)-4-(4-methoxyphenyl)-1H-pyrimidin-2-one",NA,"COC1=CC=C(C=C1)C2=NC(=O)NC(=C2)C3=C(C(=CC(=C3)Cl)Br)O","WEKWQZXRBAJLRC-UHFFFAOYSA-N",359844,NA,"PDBC27614","621454","Present",NA,NA
+"27615","6-(3-Bromophenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromophenyl)[1,3]dioxolo[4,5-g]quinolin-8-ol",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)Br","JLDZWGMJMCTYHJ-UHFFFAOYSA-N",375863,NA,"PDBC27615","656161","Present",NA,NA
+"27616","6-(3-Bromopropyl)-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-5,6-dihydro-9-methyl-3-nitro-5,11-diox...",NA,"CC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","LMJUNGCSONHLOB-UHFFFAOYSA-N",17756502,NA,"PDBC27616","736005","Present",NA,NA
+"27617","6-(3-Bromopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-5,6-dihydro-9-ethyl-3-nitro-5,11-dioxo...",NA,"CCC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","SXIWFXURQHLSTC-UHFFFAOYSA-N",17756501,NA,"PDBC27617","737777","Present",NA,NA
+"27618","6-(3-Bromopropyl)-5,11-dioxo-9-phenyl-11 H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-pheny...",NA,"C1=CC=C(C=C1)C2=CC3=C(C=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCBr","SXYOQBXXQGKSRJ-UHFFFAOYSA-N",17756503,NA,"PDBC27618","737669","Present",NA,NA
+"27619","6-(3-Bromopropyl)-5,11-dioxo-9-sulfonylm ethyl-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-5,6-dihydro-3-nitro-5,11-dioxo-9-sulfo...",NA,"CS(=O)(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","NDMSKMPNYLLAMP-UHFFFAOYSA-N",17755969,NA,"PDBC27619","736681","Present",NA,NA
+"27620","6-(3-Bromopropyl)-5,11-dioxo-9-thiomethyl-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-5,6-dihydro3-nitro-5,11-dioxo-9-thiome...",NA,"CSC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","AJJKUSXYIMDOBG-UHFFFAOYSA-N",17755847,NA,"PDBC27620","736200","Present",NA,NA
+"27621","6-(3-Bromopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-ind...",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","FITHFPHFIGGTGK-UHFFFAOYSA-N",17755853,NA,"PDBC27621","730451","Present",NA,NA
+"27622","6-(3-Bromopropyl)-5,8,9-trimethoxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-5,6-dihydro-7,8,9-trimethoxy-3-nitro-5...",NA,"COC1=C(C(=C2C(=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCBr)OC)OC","ADZLHPTZIXUYPG-UHFFFAOYSA-N",16098822,NA,"PDBC27622","733881","Present",NA,NA
+"27623","6-(3-Bromopropyl)-5,8-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-5,6-dihydro-7,8-dimethoxy-3-nitro-5,11...",NA,"COC1=C(C2=C(C=C1)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCBr)OC","ZPVICIUELJKGAD-UHFFFAOYSA-N",16098823,NA,"PDBC27623","733880","Present",NA,NA
+"27624","6-(3-Bromopropyl)-5,9-dimethoxy-3-nitro-5,11-dio xo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-5,6-dihydro-8,9-dimethoxy-3-nitro-5,11...",NA,"COC1=C(C=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC","KEJJCINVWHYGSV-UHFFFAOYSA-N",16098803,NA,"PDBC27624","734296","Present",NA,NA
+"27625","6-(3-Bromopropyl)-9-ethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-9-ethoxy-5,6-dihydro-3-nitro-5,11-diox...",NA,"CCOC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","ABVKNJFRUQGYPY-UHFFFAOYSA-N",17755846,NA,"PDBC27625","740644","Present",NA,NA
+"27626","6-(3-Bromopropyl)-9-fluoro-5,11-dioxo-11 H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-9-fluoro-5,6-dihydro-3-nitro-5,11-diox...",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)F)CCCBr","ZWWTYVZYDXXIBG-UHFFFAOYSA-N",17756504,NA,"PDBC27626","734799","Present",NA,NA
+"27627","6-(3-Bromopropyl)-9-fluoro-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Bromopropyl)-9-fluoro-5,6-dihydro-2,3-dimethoxy-5,1...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)F)N(C2=O)CCCBr)OC","YUACRRHCSGGWGA-UHFFFAOYSA-N",17756300,NA,"PDBC27627","740520","Present",NA,NA
+"27628","6-(3-Carboxypropanoyl)-1-indanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Carboxypropanoyl)-2,3-dihydro-1H-indene-1-carboxylic acid",NA,"C1CC2=C(C1C(=O)O)C=C(C=C2)C(=O)CCC(=O)O","GRRJOCKDRZPXAI-UHFFFAOYSA-N",380769,NA,"PDBC27628","666479","Present",NA,NA
+"27629","6-(3-Carboxypropyl)-1-indanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Carboxypropyl)-1-indanecarboxylic acid",NA,"C1CC2=C(C1C(=O)O)C=C(C=C2)CCCC(=O)O","JFQDKTOYLXCYTR-UHFFFAOYSA-N",380770,NA,"PDBC27629","666480","Present",NA,NA
+"27630","6-(3-Chloro-4-methylanilino)-5-methyl-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloro-4-methylanilino)-5-methyl-2,4-pyrimidinediol",NA,"CC1=C(C=C(C=C1)NC2=C(C(=O)NC(=O)N2)C)Cl","ZCNDTRWHQKQXGI-UHFFFAOYSA-N",388635,NA,"PDBC27630","683647","Present",NA,NA
+"27631","6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloro-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)Cl","QYBIINRTOPKRQH-UHFFFAOYSA-N",375862,NA,"PDBC27631","656160","Present",NA,NA
+"27632","6-(3-Chloro-propyl)-2,11-dioxo-5,11-dihydro-6H-indeno[1,2-c]isoquinoline-9-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloro-propyl)-2,3-dimethoxy-5,11-dioxo-5,11-dihydr...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C(=O)OC)N(C2=O)CCCCl)OC","BFAVXUQHJBIJQU-UHFFFAOYSA-N",17755316,NA,"PDBC27632","734797","Present",NA,NA
+"27633","6-(3-Chlorobenzylidene)-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chlorobenzylidene)-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one",NA,"C1CC2=CC=CC=C2C(=O)C(=CC3=CC(=CC=C3)Cl)C1","CCYUZLMAXZQHRT-RVDMUPIBSA-N",5469393,NA,"PDBC27633","687672","Present",NA,NA
+"27634","6-(3-Chlorophenyl)-4-(4-chlorophenyl)-6H-1,3-thiazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chlorophenyl)-4-(4-chlorophenyl)-6H-1,3-thiazin-2-amine",NA,"C1=CC(=CC(=C1)Cl)C2C=C(N=C(S2)N)C3=CC=C(C=C3)Cl","YESVGXMPKWCTKG-UHFFFAOYSA-N",403644,NA,"PDBC27634","718712","Present",NA,NA
+"27635","6-(3-Chloropropyl)-2,4-dimethyl-8H-purino[7,8-a]imidazole-1,3,7-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-2,4-dimethyl-8H-purino[7,8-a]imidazole-1,3,7-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3CC(=O)N(C3=N2)CCCCl","BUPGZCJAQUYSRC-UHFFFAOYSA-N",392201,NA,"PDBC27635","692334","Present",NA,NA
+"27636","6-(3-Chloropropyl)-3-(dimethylamino)-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-5,6-dihydro-9-methoxy-3-dimethylamino...",NA,"CN(C)C1=CC2=C(C=C1)C3=C(C4=C(C3=O)C=C(C=C4)OC)N(C2=O)CCCCl","UAFNDTUOEFYGLX-UHFFFAOYSA-N",45028367,NA,"PDBC27636","742343","Present",NA,NA
+"27637","6-(3-Chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]i soquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCl","VJHGGUIIVNKENS-UHFFFAOYSA-N",45027882,NA,"PDBC27637","732661","Present",NA,NA
+"27638","6-(3-Chloropropyl)-5,11-dioxo-3-nitro-11H-indeno [1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-5,6-dihydro-5,11-dioxo-3-nitro-11H-in...",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl","QTEJRWOMCQIKFH-UHFFFAOYSA-N",17755848,NA,"PDBC27638","731154","Present",NA,NA
+"27639","6-(3-Chloropropyl)-5,3,9-trimethoxy-5,11-dioxo-1 1H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-5,6-dihydro-2,3,9-trimethoxy-5,11-dio...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCCl)OC)OC","ADWFGEGXOSXQPU-UHFFFAOYSA-N",17756199,NA,"PDBC27639","737318","Present",NA,NA
+"27640","6-(3-Chloropropyl)-5,3-dimethyoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-5,6-dihydro-2,3-dimethyoxy-5,11-dioxo...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCl)OC","RBNJUOSLYWNDIY-UHFFFAOYSA-N",17755315,NA,"PDBC27640","732659","Present",NA,NA
+"27641","6-(3-Chloropropyl)-5,3-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-5,6-dihydro-2,3-methylenedioxy-5,11-d...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C5=CC=CC=C5C4=O)N(C3=O)CCCCl","JCHKWJCRWGSLDC-UHFFFAOYSA-N",45027883,NA,"PDBC27641","732662","Present",NA,NA
+"27642","6-(3-Chloropropyl)-5,9-methylenedioxy-5,11-dioxo-3-nitro-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-5,6-dihydro-8,9-methylenedioxy-5,11-d...",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCCl","SDOYHGOHOXTXFO-UHFFFAOYSA-N",44346870,NA,"PDBC27642","729812","Present",NA,NA
+"27643","6-(3-Chloropropyl)-6,3-dimethoxy-5,11-dioxo-5H-indeno[1,2-c]isoquinoline-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-chloropropyl)-6,11-dihydro-2,3-dimethoxy-5,11-dioxo...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C#N)N(C2=O)CCCCl)OC","RQABYVCEIGEDGO-UHFFFAOYSA-N",17755317,NA,"PDBC27643","734561","Present",NA,NA
+"27644","6-(3-Chloropropyl)-7-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-5,6-dihydro-7-methoxy-3-nitro-5,11-di...",NA,"COC1=CC=CC2=C1C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl","GUDBMPKWSVEYSF-UHFFFAOYSA-N",16098805,NA,"PDBC27644","733883","Present",NA,NA
+"27645","6-(3-Chloropropyl)-9-cyano-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-9-cyano-5,6-dihydro-3-nitro-5,11-diox...",NA,"C1=CC2=C(C=C1C#N)C(=O)C3=C2N(C(=O)C4=C3C=CC(=C4)[N+](=O)[O-])CCCCl","VJIWBTFNKPNLEQ-UHFFFAOYSA-N",17756602,NA,"PDBC27645","740975","Present",NA,NA
+"27646","6-(3-Chloropropyl)-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-5,6-dihydro-9-methoxy-3-nitro-5,11-di...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl","BPHWXBCGOWKFEJ-UHFFFAOYSA-N",16098804,NA,"PDBC27646","733654","Present",NA,NA
+"27647","6-(3-Cyclohexylbenzimidazol-5-yl)-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1-cyclohexyl-1H-benzo[d]imidazol-6-yl)-2-(2-(dimethyl...",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)C4=CC5=C(C=C4)N=CN5C6CCCCC6)C=CC=C3C1=O","BLUDKMJBPFGWJS-UHFFFAOYSA-N",155806241,NA,"PDBC27647","799082","Present",NA,NA
+"27648","6-(3-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(Dimethylamino)phenyl][1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"CN(C)C1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","PMTYBDLJRSCTJI-UHFFFAOYSA-N",373173,NA,"PDBC27648","649122","Present",NA,NA
+"27649","6-(3-Ethoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8-one, 6-(3-ethoxyphenyl)- 5,...",NA,"CCOC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","ONUOKWPZQYINMT-UHFFFAOYSA-N",377395,NA,"PDBC27649","658838","Present",NA,NA
+"27650","6-(3-Fluoro-4-methoxyphenyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-fluoro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-...",NA,"COC1=C(C=C(C=C1)C2=C(C=CC(=O)O2)C3=CC(=C(C(=C3)OC)OC)OC)F","RMENRUHVSNMAHN-UHFFFAOYSA-N",45028050,NA,"PDBC27650","740846","Present",NA,NA
+"27651","6-(3-Fluorobenzylidene)-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Fluorobenzylidene)-6,7,8,9-tetrahydro-5H-benzocycloheptene-5-one",NA,"C1CC2=CC=CC=C2C(=O)C(=CC3=CC(=CC=C3)F)C1","RAZAJNVRLMAZGG-RVDMUPIBSA-N",5469394,NA,"PDBC27651","687673","Present",NA,NA
+"27652","6-(3-Fluorophenyl)-4-(methylthio)-8-oxo-8,9-dihydro-7H-2-thia-3,5,6,9-tetraaza-6H-benzo[cd]azulene-1-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 9-(3-fluorophenyl)-6-methylsulfanyl-11-oxo-3-thia-5,7,9,12-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CC(=O)N2)C4=CC(=CC=C4)F","PHRSPOOORSDVLY-UHFFFAOYSA-N",399943,NA,"PDBC27652","711095","Present",NA,NA
+"27653","6-(3-Homopiperazinyl1-1-propyl)-5,3-dimethoxy-8, 9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Homopiperazinyl1-1-propyl)-5,6-dihydro-2,3-dimethox...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCCNCC6)OC.Cl","LVVYOQAWYMWSTM-UHFFFAOYSA-N",45027855,NA,"PDBC27653","728319","Present",NA,NA
+"27654","6-(3-Hydroxy-4-methoxyphenyl)-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Hydroxy-4-methoxyphenyl)-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,"COC1=C(C=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C#N)N4CCOCC4)O","HFMTUGGWNRIMFE-UHFFFAOYSA-N",45029303,NA,"PDBC27654","746063","Present",NA,NA
+"27655","6-(3-Hydroxy-4-methoxyphenyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-hydroxy-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)...",NA,"COC1=C(C=C(C=C1)C2=C(C=CC(=O)O2)C3=CC(=C(C(=C3)OC)OC)OC)O","XUSZWPNKUBJZAP-UHFFFAOYSA-N",45028150,NA,"PDBC27655","741291","Present",NA,NA
+"27656","6-(3-Hydroxy-4-methoxyphenyl)-5-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-hydroxy-4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl...",NA,"COC1=C(C=C(C=C1)C2=C(C=CC(=O)O2)C#CC3=CC(=C(C(=C3)OC)OC)OC)O","KZYFWCYVKMFMDW-UHFFFAOYSA-N",45028151,NA,"PDBC27656","741292","Present",NA,NA
+"27657","6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Hydroxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)O","RBWSFAFFIMVTFK-UHFFFAOYSA-N",375859,NA,"PDBC27657","656157","Present",NA,NA
+"27658","6-(3-Hydroxyanilino)-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pyrimidinedione, 6-[(3-hydroxyphenyl)amino]-",NA,"C1=CC(=CC(=C1)O)NC2=CC(=O)NC(=O)N2","IVZGYVHNFVIPPY-UHFFFAOYSA-N",388645,NA,"PDBC27658","683657","Present",NA,NA
+"27659","6-(3-Imidazol-1-ylpropyl)-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-imidazolyl-1-propyl)-3-nitro-5,11-dioxo...",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5C=CN=C5.Cl","QWKGOTGASGDZNY-UHFFFAOYSA-N",15949377,NA,"PDBC27659","734783","Present",NA,NA
+"27660","6-(3-Imidazol-1-ylpropyl)-9-methoxy-3-nitroindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-imidazolyl-1-propyl)-9-methoxy-3-nitro-...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5C=CN=C5","MDJMFHZWTHWWJV-UHFFFAOYSA-N",17755745,NA,"PDBC27660","740507","Present",NA,NA
+"27661","6-(3-Imidazol-1-ylpropyl)-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-imidazolyl-1-propyl)-9-methoxy-5,11-dio...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN5C=CN=C5","OKCJDJQBTRWAIM-UHFFFAOYSA-N",17755851,NA,"PDBC27661","740648","Present",NA,NA
+"27662","6-(3-Methoxy-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Methoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"COC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","WLLYUAYHKVYLTP-UHFFFAOYSA-N",373169,NA,"PDBC27662","649118","Present",NA,NA
+"27663","6-(3-Methoxyphenyl)-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Methoxyphenyl)-8-oxo-5H-[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid",NA,"COC1=CC=CC(=C1)C2=C(C(=O)C3=CC4=C(C=C3N2)OCO4)C(=O)O","GFGLYGFOPPSPSV-UHFFFAOYSA-N",395569,NA,"PDBC27663","700275","Present",NA,NA
+"27664","6-(3-Methyl-4H-1,4-benzothiazin-2-yl)-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Methyl-4H-1,4-benzothiazin-2-yl)-N-(3-(trifluoromethyl)phenyl)-4-pyrimidinecarboxamide",NA,"CC1=C(SC2=CC=CC=C2N1)C3=CC(=NC=N3)C(=O)NC4=CC=CC(=C4)C(F)(F)F","PAYAGWFHUYAASY-UHFFFAOYSA-N",361458,NA,"PDBC27664","624480","Present",NA,NA
+"27665","6-(3-Methylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-[(3-methylamino)...",NA,"CNC1=CC=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","VOXJCRDGCUAZJE-UHFFFAOYSA-N",375858,NA,"PDBC27665","656156","Present",NA,NA
+"27666","6-(3-Morpholin-4-ylpropyl)-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-morpholinyl-1-propyl)-3-nitro-5,11-diox...",NA,"C1COCCN1CCCN2C3=C(C4=C(C2=O)C=C(C=C4)[N+](=O)[O-])C(=O)C5=CC=CC=C53.Cl","XPGCQLBJOWMPAO-UHFFFAOYSA-N",17755735,NA,"PDBC27666","740609","Present",NA,NA
+"27667","6-(3-Morpholin-4-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-(3-morpholinyl-1-propyl)-5,11-dioxo-11H-in...",NA,"C1COCCN1CCCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53.Cl","HOXXQYIEHRYRQT-UHFFFAOYSA-N",45027959,NA,"PDBC27667","740275","Present",NA,NA
+"27668","6-(3-Piperazinyl-1-propyl)-5,3-dimethoxy-8,9-met hylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Piperazinyl-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCNCC6)OC.Cl","XITNZLXDNSTFLW-UHFFFAOYSA-N",16049841,NA,"PDBC27668","728316","Present",NA,NA
+"27669","6-(3-Trifluoromethyl-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8-one, 6-[3-(trifluoromethyl)...",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)C(F)(F)F","CVUVXQOSMQTCRB-UHFFFAOYSA-N",376372,NA,"PDBC27669","657274","Present",NA,NA
+"27670","6-(4'-Hydroxy phenyl)4(4'-methoxy phenyl)-1H-pyrazolo [3, 4-b] pyridine-3-amine.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4'-hydroxy phenyl)4(4'-methoxy phenyl) - 1H -pyrazolo...",NA,"COC1=CC=C(C=C1)C2=CC(=NC3=NNC(=C23)N)C4=CC=C(C=C4)O","VCKIJKFTGWVRTO-UHFFFAOYSA-N",135580406,NA,"PDBC27670","734136","Present",NA,NA
+"27671","6-(4'-Hydroxy-2'-methylphenyl)-2-benzenesulfonamide-4,5-dihydropyridazine-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4'-Hydroxy-2'-methylphenyl)-2-benzenesulfonamide-4,5-...",NA,"CC1=C(C=CC(=C1)O)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)N","XHOPWRARKOAGEK-UHFFFAOYSA-N",135894397,NA,"PDBC27671","747556","Present",NA,NA
+"27672","6-(4,5-Dihydro-1H-imidazol-2-yl)-2-[5-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]thiophen-2-yl]-1,3-benzothiazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-(2-imidazolino)-2-benzthiazolyl)-5-(4-(2-imidazolin...",NA,"C1CN=C(N1)C2=CC=C(C=C2)C3=CC=C(S3)C4=NC5=C(S4)C=C(C=C5)C6=NCCN6.Cl","RTGNNVGNNHFRNE-UHFFFAOYSA-N",404345,NA,"PDBC27672","720538","Present",NA,NA
+"27673","6-(4,6-Dimethoxy-1-benzofuran-5-yl)-2-hydroxy-5-((4-methoxyphenyl)diazenyl)-4-methylnicotinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4,6-Dimethoxy-1-benzofuran-5-yl)-2-hydroxy-5-((4-methoxyphenyl)diazenyl)-4-methylnicotinonitrile",NA,"CC1=C(C(=O)NC(=C1N=NC2=CC=C(C=C2)OC)C3=C(C=C4C(=C3OC)C=CO4)OC)C#N","WTYFXSZSYDBQKZ-UHFFFAOYSA-N",384091,NA,"PDBC27673","673313","Present",NA,NA
+"27674","6-(4-(3-Chlorophenyl)-1-piperazinyl)-3-methyl-4-(4-methylbenzyl)pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-(3-Chlorophenyl)piperazin-1-yl]-3-methyl-4-(p-tolylmethyl)pyridazine",NA,"CC1=CC=C(C=C1)CC2=CC(=NN=C2C)N3CCN(CC3)C4=CC(=CC=C4)Cl","HCVBGBCNPHEIRF-UHFFFAOYSA-N",395128,NA,"PDBC27674","699419","Present",NA,NA
+"27675","6-(4-(Hydroxy(oxido)amino)phenyl)-2-mercapto-N-(2-methylphenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-(Hydroxy(oxido)amino)phenyl)-2-mercapto-N-(2-methylphenyl)-4-pyrimidinecarboxamide",NA,"CC1=CC=CC=C1NC(=O)C2=CC(=NC(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-]","RGOSZDHKAGNOCA-UHFFFAOYSA-N",3004144,NA,"PDBC27675","631824","Present",NA,NA
+"27676","6-(4-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Acetylanilino)-9-methoxyindeno[1,2-c]quinolin-11-one",NA,"CC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC","HBUCBICCPODGNL-UHFFFAOYSA-N",24205210,NA,"PDBC27676","734628","Present",NA,NA
+"27677","6-(4-Allyloxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Allyloxyphenyl)-3,4-dihydro-2H-pyrimido[1,2-b]isoindol-6-ol",NA,"C=CCOC1=CC=C(C=C1)C2(C3=CC=CC=C3C4=NCCCN42)O","ITUOKHXUFQVQDH-UHFFFAOYSA-N",395640,NA,"PDBC27677","700422","Present",NA,NA
+"27678","6-(4-Amino-1-butyl)-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Amino-1-butyl)-5,6-dihydro-2,3-dimethoxy-8,9-methyl...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCN)OC.Cl","ZHKMLSGJEXEARE-UHFFFAOYSA-N",45027839,NA,"PDBC27678","727356","Present",NA,NA
+"27679","6-(4-Amino-3-chloroanilino)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Amino-3-chloroanilino)-2,4-pyrimidinediol",NA,"C1=CC(=C(C=C1NC2=CC(=O)NC(=O)N2)Cl)N","CDEBPFZACVTPSO-UHFFFAOYSA-N",389519,NA,"PDBC27679","685810","Present",NA,NA
+"27680","6-(4-Aminoanilino)-3-methyl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Aminoanilino)-3-methyl-1H-pyrimidine-2,4-dione",NA,"CN1C(=O)C=C(NC1=O)NC2=CC=C(C=C2)N","WSNGRPDBUKYUJA-UHFFFAOYSA-N",388642,NA,"PDBC27680","683654","Present",NA,NA
+"27681","6-(4-Aminobutylamino)-2,3-dihydrophthalazine-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5784982",NA,"C1=CC2=C(C=C1NCCCCN)C(=O)NNC2=O","QFXJAYZOSATTDS-UHFFFAOYSA-N",360087,NA,"PDBC27681","621890","Present",NA,NA
+"27682","6-(4-Aminophenyl)-2-hydroxy-4-phenylnicotinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Aminophenyl)-2-hydroxy-4-phenylnicotinonitrile",NA,"C1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)N)C#N","NRBGWKCGLDSKDE-UHFFFAOYSA-N",368864,NA,"PDBC27682","640203","Present",NA,NA
+"27683","6-(4-Aminophenyl)-2-mercapto-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Aminophenyl)-2-mercapto-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide",NA,"C1=CC(=CC=C1C2=NC(=S)NC(=C2)C(=O)NC3=NC=CS3)N","MVPCPPLTJIEEQI-UHFFFAOYSA-N",3004050,NA,"PDBC27683","624462","Present",NA,NA
+"27684","6-(4-Aminophenyl)-4-(2-furyl)-2-hydroxynicotinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Aminophenyl)-4-(2-furyl)-2-hydroxynicotinonitrile",NA,"C1=COC(=C1)C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)N)C#N","MCWZXFPSWAFDQC-UHFFFAOYSA-N",368868,NA,"PDBC27684","640207","Present",NA,NA
+"27685","6-(4-Aminophenylsulfonylamino)nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Aminophenylsulfonylamino)nicotinamide",NA,"C1=CC(=CC=C1N)S(=O)(=O)NC2=NC=C(C=C2)C(=O)N","GDFGMTTYFWXAGL-UHFFFAOYSA-N",234715,NA,"PDBC27685","35053","Present",NA,NA
+"27686","6-(4-Aminoquinazolin-6-yl)sulfanylquinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Aminoquinazolin-6-yl)sulfanylquinazolin-4-amine",NA,"C1=CC2=C(C=C1SC3=CC4=C(C=C3)N=CN=C4N)C(=NC=N2)N","WQCYOEICXSNBLG-UHFFFAOYSA-N",393412,NA,"PDBC27686","695266","Present",NA,NA
+"27687","6-(4-Azido-2-nitroanilino)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Azido-2-nitroanilino)-N-(1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide",NA,"COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCCCCNC4=C(C=C(C=C4)N=[N+]=[N-])[N+](=O)[O-]","QKEPLNZFLNFEEH-UHFFFAOYSA-N",3003993,NA,"PDBC27687","618048","Present",NA,NA
+"27688","6-(4-Benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzothiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzothiazol-2-one",NA,"CN1C2=C(C=C(C=C2)C(=S)N3CCC(CC3)CC4=CC=CC=C4)SC1=O","ZOKJTQKFJOHAFR-UHFFFAOYSA-N",391469,NA,"PDBC27688","690674","Present",NA,NA
+"27689","6-(4-Benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Benzylpiperidine-1-carbothioyl)-3-methyl-1,3-benzoxazol-2-one",NA,"CN1C2=C(C=C(C=C2)C(=S)N3CCC(CC3)CC4=CC=CC=C4)OC1=O","CNJQSZMKUAUENY-UHFFFAOYSA-N",391466,NA,"PDBC27689","690671","Present",NA,NA
+"27690","6-(4-Bromo-phenyl)-3-(4-chloro-phenoxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Bromo-phenyl)-3-(4-chloro-phenoxymethyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"C1C(=NN2C(=NN=C2S1)COC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Br","WBPJFXGBOONWAA-UHFFFAOYSA-N",364168,NA,"PDBC27690","629868","Present",NA,NA
+"27691","6-(4-Bromophenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Bromophenyl)-4-(1-methylpyrrol-2-yl)-2-oxo-1H-pyridine-3-carbonitrile",NA,"CN1C=CC=C1C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)Br)C#N","KSELWLNUJPDTPD-UHFFFAOYSA-N",19656597,NA,"PDBC27691","735020","Present",NA,NA
+"27692","6-(4-Bromophenyl)-N-(3,4-dichlorophenyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Bromophenyl)-N-(3,4-dichlorophenyl)-4,6-dioxohexanamide",NA,"C1=CC(=CC=C1C(=O)CC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Br","MRMXDUCLDFQCCI-UHFFFAOYSA-N",361439,NA,"PDBC27692","624461","Present",NA,NA
+"27693","6-(4-Bromophenyl)-N-(3,4-dichlorophenyl)-4-(hydroxyimino)-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Bromophenyl)-N-(3,4-dichlorophenyl)-4-(hydroxyimino)-6-oxohexanamide",NA,"C1=CC(=CC=C1C(=O)CC(=NO)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Br","WTKQQQDCJGOZNJ-OEAKJJBVSA-N",5930750,NA,"PDBC27693","632008","Present",NA,NA
+"27694","6-(4-Butylanilino)-3-methyl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Butylanilino)-3-methyl-1H-pyrimidine-2,4-dione",NA,"CCCCC1=CC=C(C=C1)NC2=CC(=O)N(C(=O)N2)C","LMJFEXITYLADRK-UHFFFAOYSA-N",388634,NA,"PDBC27694","683646","Present",NA,NA
+"27695","6-(4-Chloroanilino)-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chloroanilino)-9-methoxyindeno[1,2-c]quinolin-11-one",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3NC5=CC=C(C=C5)Cl","KMUSSTSNBHDCHD-UHFFFAOYSA-N",24205228,NA,"PDBC27695","734646","Present",NA,NA
+"27696","6-(4-Chlorophenyl)-1-(((4-methylphenyl)sulfonyl)methyl)-3,3-diphenyl-5-oxa-1-azaspiro[3.4]oct-6-ene-2,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Chlorophenyl)-1,1-diphenyl-3-(p-tolylsulfonylmethyl)-8-oxa-3-azaspiro[3.4]oct-6-ene-2,5-dione",NA,"CC1=CC=C(C=C1)S(=O)(=O)CN2C(=O)C(C23C(=O)C=C(O3)C4=CC=C(C=C4)Cl)(C5=CC=CC=C5)C6=CC=CC=C6","LGPCGTRMARNBQG-UHFFFAOYSA-N",378930,NA,"PDBC27696","662438","Present",NA,NA
+"27697","6-(4-Chlorophenyl)-14-nitro-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-14-nitro-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(11),2(7),5,12,14-pentaene-5-carbonitrile",NA,"C1CC2=C(C=C(C=C2)[N+](=O)[O-])C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=C(C=C4)Cl","XZRQCANYFVRNAA-UHFFFAOYSA-N",401452,NA,"PDBC27697","715114","Present",NA,NA
+"27698","6-(4-Chlorophenyl)-2,4-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1H-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-2,4-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-pyrimidine-5-carbonitrile",NA,"C1=CC(=CC=C1C2=C(C(=O)N(C(=O)N2)C3C(C(C(C(O3)CO)O)O)O)C#N)Cl","TYWVUIWNXGJWMK-UHFFFAOYSA-N",389668,NA,"PDBC27698","686045","Present",NA,NA
+"27699","6-(4-Chlorophenyl)-2,6-dihydroxy-4-oxo-2,5-hexadienoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-2,6-dihydroxy-4-oxo-2,5-hexadienoic acid",NA,"C1=CC(=CC=C1C(=CC(=O)C=C(C(=O)O)O)O)Cl","UWUWEYPVPIPQDZ-IEESQIRDSA-N",5467411,NA,"PDBC27699","652166","Present",NA,NA
+"27700","6-(4-Chlorophenyl)-2-(4-methyl-5-nitro-thiazol-2-yl)-4,5-dihydropyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-2-(4-methyl-5-nitro-1,3-thiazol-2-yl)-4,5-dihydropyridazin-3(2H)-one",NA,"CC1=C(SC(=N1)N2C(=O)CCC(=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]","OXOLJLXFPMAECC-UHFFFAOYSA-N",374062,NA,"PDBC27700","651318","Present",NA,NA
+"27701","6-(4-Chlorophenyl)-2-(methylthio)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,"CSC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","ZOMXJYPWOAHKCD-UHFFFAOYSA-N",135431152,NA,"PDBC27701","686605","Present",NA,NA
+"27702","6-(4-Chlorophenyl)-2-mercapto-4-phenylnicotinonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-777/36503054",NA,"C1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C3=CC=C(C=C3)Cl)C#N","MBWILBPHNMPIGN-UHFFFAOYSA-N",902392,NA,"PDBC27702","671803","Present",NA,NA
+"27703","6-(4-Chlorophenyl)-2-methoxy-3-methyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-2-methoxy-3-methyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one",NA,"CN1C(=O)C2=C(NC(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=C1OC","BFPBEFKVWGYBGU-UHFFFAOYSA-N",389936,NA,"PDBC27703","686604","Present",NA,NA
+"27704","6-(4-Chlorophenyl)-2-methoxy-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-2-methoxy-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,"COC1=NC2=C(C(=O)N1)N=C(CC(N2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","BZKCCJAWOVQKQV-UHFFFAOYSA-N",135489873,NA,"PDBC27704","686603","Present",NA,NA
+"27705","6-(4-Chlorophenyl)-2-methyl-1,5,2-dioxazinane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-2-methyl-1,5,2-dioxazinane",NA,"CN1CCOC(O1)C2=CC=C(C=C2)Cl","ZSGNXNQBXAYFSW-UHFFFAOYSA-N",386976,NA,"PDBC27705","680218","Present",NA,NA
+"27706","6-(4-Chlorophenyl)-2-phenoxy-4,4-diphenyl-1,3-diaza-2lambda5,4lambda5-diphosphacyclohexa-3,5-diene 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-2-phenoxy-4,4-diphenyl-1,3-diaza-2lambda5,4lambda5-diphosphacyclohexa-3,5-diene 2-oxide",NA,"C1=CC=C(C=C1)OP2(=O)NC(=CP(=N2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl","HJSUVYHJPMKGJT-UHFFFAOYSA-N",404664,NA,"PDBC27706","721087","Present",NA,NA
+"27707","6-(4-Chlorophenyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678053///NSC678054",NA,"C1=CC(=CC=C1C2=CC=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)Cl","OOIZQMMAUYMGCV-UHFFFAOYSA-N",386295,NA,"PDBC27707","678053///678054","Present",NA,NA
+"27708","6-(4-Chlorophenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"C1C(=NN2C(=NN=C2S1)C3=C(C(=CC(=C3)Cl)Cl)Cl)C4=CC=C(C=C4)Cl","JIZBGZCJZLYXDK-UHFFFAOYSA-N",24874046,NA,"PDBC27708","742071","Present",NA,NA
+"27709","6-(4-Chlorophenyl)-3-(2-piperazin-1-ylpyridin-4-yl)pyrazolo[1,5-a]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-3-(2-piperazin-1-ylpyridin-4-yl)pyrazolo[1,5-a]pyrimidine",NA,"C1CN(CCN1)C2=NC=CC(=C2)C3=C4N=CC(=CN4N=C3)C5=CC=C(C=C5)Cl","ZLHIOMMMFXGTLQ-UHFFFAOYSA-N",54613079,NA,"PDBC27709","750399","Present",NA,NA
+"27710","6-(4-Chlorophenyl)-3-[8-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-chlorophenyl)-3-[8-[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]octyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC(=CC=C1C2=NN3C(=NN=C3S2)CCCCCCCCC4=NN=C5N4N=C(S5)C6=CC=C(C=C6)Cl)Cl","JKVFLHJNBMRQBE-UHFFFAOYSA-N",395664,NA,"PDBC27710","700446","Present",NA,NA
+"27711","6-(4-Chlorophenyl)-3-[[3-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-3-[[3-[[6-(4-chlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methoxy]phenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"C1=CC(=CC(=C1)OCC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)Cl)OCC5=NN=C6N5N=C(S6)C7=CC=C(C=C7)Cl","UOYHMAAOMYTHEC-UHFFFAOYSA-N",402715,NA,"PDBC27711","716903","Present",NA,NA
+"27712","6-(4-Chlorophenyl)-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-one",NA,"CN1C(=O)C2=C(NC(CC(=N2)C3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=C1SC","YCECCLNKJODIRD-UHFFFAOYSA-N",389938,NA,"PDBC27712","686606","Present",NA,NA
+"27713","6-(4-Chlorophenyl)-3-prop-2-enylsulfanyl-7-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-3-prop-2-enylsulfanyl-7-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazine",NA,"C=CCSC1=NN=C2N1N=C(C(=C2)CN3CCCC3)C4=CC=C(C=C4)Cl","ACMHWQYHSAZIDC-UHFFFAOYSA-N",401100,NA,"PDBC27713","713923","Present",NA,NA
+"27714","6-(4-Chlorophenyl)-4,4,8-trimethyl-1,3,6-dioxazocan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-4,4,8-trimethyl-1,3,6-dioxazocan-2-one",NA,"CC1CN(CC(OC(=O)O1)(C)C)C2=CC=C(C=C2)Cl","HHBYYFQZUFSBCM-UHFFFAOYSA-N",370893,NA,"PDBC27714","644629","Present",NA,NA
+"27715","6-(4-Chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-4,8-dimethyl-1,3,6-dioxazocan-2-one",NA,"CC1CN(CC(OC(=O)O1)C)C2=CC=C(C=C2)Cl","SIONFAANZHKTEL-UHFFFAOYSA-N",370892,NA,"PDBC27715","644628","Present",NA,NA
+"27716","6-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-4-(4-methoxyphenyl)-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2)C3=CC=C(C=C3)Cl)C4C(C(C(C(O4)CO)O)O)O)C#N","NWKUBOXKROYTGF-UHFFFAOYSA-N",383451,NA,"PDBC27716","671820","Present",NA,NA
+"27717","6-(4-Chlorophenyl)-4-(5-oxo-1,3-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-4-(5-oxo-1,3-diphenyl-4,5-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-3(2H)-pyridazinone",NA,"C1C(C(=O)NN=C1C2=CC=C(C=C2)Cl)C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5","GQTBFFAHMNPGTR-UHFFFAOYSA-N",381564,NA,"PDBC27717","668353","Present",NA,NA
+"27718","6-(4-Chlorophenyl)-6-cyano-N-(2,4-dichlorophenyl)-5-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-6-cyano-N-(2,4-dichlorophenyl)-5-oxohexanamide",NA,"C1=CC(=CC=C1C(C#N)C(=O)CCCC(=O)NC2=C(C=C(C=C2)Cl)Cl)Cl","IWOTVRDPOGYOFX-UHFFFAOYSA-N",360658,NA,"PDBC27718","622976","Present",NA,NA
+"27719","6-(4-Chlorophenyl)-6-cyano-N-(2,6-dimethylphenyl)-5-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-6-cyano-N-(2,6-dimethylphenyl)-5-oxohexanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C(C#N)C2=CC=C(C=C2)Cl","OZNYBCLXIGDMLX-UHFFFAOYSA-N",364964,NA,"PDBC27719","631850","Present",NA,NA
+"27720","6-(4-Chlorophenyl)-N-(3,4-dichlorophenyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorophenyl)-N-(3,4-dichlorophenyl)-4,6-dioxohexanamide",NA,"C1=CC(=CC=C1C(=O)CC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl","WEXRIKFVZKFHIT-UHFFFAOYSA-N",360362,NA,"PDBC27720","622420","Present",NA,NA
+"27721","6-(4-Chlorophenyl)sulfanylquinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Quinazolinediamine, 6-[(4-chlorophenyl)thio]-",NA,"C1=CC(=CC=C1SC2=CC3=C(C=C2)N=C(N=C3N)N)Cl","OFGRXGJDGPQWBD-UHFFFAOYSA-N",328131,NA,"PDBC27721","305767","Present",NA,NA
+"27722","6-(4-Chlorostyryl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Chlorostyryl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine",NA,"C1C(NC2=NC(=NC(=C2N=C1C=CC3=CC=C(C=C3)Cl)N)N)C4=CC=CC=C4","QIVBVPNBLXUDTK-DHZHZOJOSA-N",5472581,NA,"PDBC27722","720258","Present",NA,NA
+"27723","6-(4-Dimethylamino-phenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-(Dimethylamino)phenyl][1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"CN(C)C1=CC=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","GUYRKUKTQPPPFK-UHFFFAOYSA-N",373172,NA,"PDBC27723","649121","Present",NA,NA
+"27724","6-(4-Ethoxyphenyl)-2-ethyl-4-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4,5-dihydro-3(2H)-pyridazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-ethoxyphenyl)-2-ethyl-4-(3-methyl-5-oxo-1-phenyl-4,...",NA,"CCN1C(=O)C(CC(=N1)C2=CC=C(C=C2)OCC)C3C(=NN(C3=O)C4=CC=CC=C4)C","KDNOVJQOHLZBDA-UHFFFAOYSA-N",373515,NA,"PDBC27724","649916","Present",NA,NA
+"27725","6-(4-Ethylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-ethylphenyl)-2-(4-(methylsulfonyl)phenyl)-4,5-dihyd...",NA,"CCC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)C","ZQVMMGMYPDQECO-UHFFFAOYSA-N",72375195,NA,"PDBC27725","762911","Present",NA,NA
+"27726","6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Ethylphenyl)-2-benzenesulfonamidepyridazine-3(2H)-one",NA,"CCC1=CC=C(C=C1)C2=NN(C(=O)C=C2)C3=CC=C(C=C3)S(=O)(=O)N","SCVWZSCVSFMXEU-UHFFFAOYSA-N",54612980,NA,"PDBC27726","747558","Present",NA,NA
+"27727","6-(4-Fluorophenyl)-4-(methylthio)-8-oxo-8,9-dihydro-7H-2-thia-3,5,6,9-tetraaza-6H-benzo[cd]azulene-1-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 9-(4-fluorophenyl)-6-methylsulfanyl-11-oxo-3-thia-5,7,9,12-tetrazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-2-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CC(=O)N2)C4=CC=C(C=C4)F","PXOPNZBXMVYVEG-UHFFFAOYSA-N",399944,NA,"PDBC27727","711096","Present",NA,NA
+"27728","6-(4-Fluorophenyl)-4-phenyl-2,3-dihydropyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-fluorophenyl)-4-phenyl-2,3-dihydropyridazin-3-one",NA,"C1=CC=C(C=C1)C2=CC(=NNC2=O)C3=CC=C(C=C3)F","VFOJZZRJCCGRBS-UHFFFAOYSA-N",403915,NA,"PDBC27728","719574","Present",NA,NA
+"27729","6-(4-Fluorophenyl)-7-hydroxy-9-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Fluorophenyl)-7-hydroxy-9-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one",NA,"CC1C=CN2C3=C1C(=C(C(=C3OC2=O)OC(C)C)C4=CC=C(C=C4)F)O","LVPNVIISRGWEEU-UHFFFAOYSA-N",389259,NA,"PDBC27729","685012","Present",NA,NA
+"27730","6-(4-Hydroxy-2-methylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-hydroxy-2-methylphenyl)-2-(4-(methylsulfonyl)phenyl...",NA,"CC1=C(C=CC(=C1)O)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)C","CIAVCYYNHAFASF-UHFFFAOYSA-N",136233493,NA,"PDBC27730","762914","Present",NA,NA
+"27731","6-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-2,4-dioxo-N,6-diphenylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-2,4-dioxo-N,6-diphenylhexanamide",NA,"C1=CC=C(C=C1)C(CC(=O)CC(=O)C(=O)NC2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","QHMRUIYNFKLZCE-UHFFFAOYSA-N",54677092,NA,"PDBC27731","647094","Present",NA,NA
+"27732","6-(4-Hydroxy-3,5-dimethoxyphenyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Hydroxy-3,5-dimethoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one",NA,"COC1=CC(=CC(=C1O)OC)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","VXVPEQBPIBLWKJ-UHFFFAOYSA-N",379509,NA,"PDBC27732","664166","Present",NA,NA
+"27733","6-(4-Methoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"COC1=CC=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","NDNZFEQAUOGRDA-UHFFFAOYSA-N",373168,NA,"PDBC27733","649117","Present",NA,NA
+"27734","6-(4-Methoxyphenyl)-2,4-dioxo-3-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-1H-pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686041///NSC686044",NA,"COC1=CC=C(C=C1)C2=C(C(=O)N(C(=O)N2)C3C(C(C(C(O3)CO)O)O)O)C#N","KJRNBRYIDIFQGF-UHFFFAOYSA-N",389666,NA,"PDBC27734","686041///686044","Present",NA,NA
+"27735","6-(4-Methoxyphenyl)-2-(4-methylphenyl)-4-phenyl-3H-1,2,4,5-tetrazin-2-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Methoxyphenyl)-1-(4-methylphenyl)-5-phenyl-5,6-dihydro-1,2,4,5-tetrazin-1-ium bromide",NA,"CC1=CC=C(C=C1)[N+]2=NC(=NN(C2)C3=CC=CC=C3)C4=CC=C(C=C4)OC.[Br-]","KGJOMIUROIAHGM-UHFFFAOYSA-M",376163,NA,"PDBC27735","656675","Present",NA,NA
+"27736","6-(4-Methoxyphenyl)-2-(methylthio)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-2-methylsulfanyl-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,"COC1=CC=C(C=C1)C2=NC3=C(NC(C2)C4=CC=CC=C4)N=C(NC3=O)SC","INZLDVKUKZXJNL-UHFFFAOYSA-N",135404916,NA,"PDBC27736","686608","Present",NA,NA
+"27737","6-(4-Methoxyphenyl)-2-(trifluoromethyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-2-(trifluoromethyl)pyrrolo[2,1-d][1,5]benzothiazepin-7-yl dimethylcarbamate",NA,"CN(C)C(=O)OC1=C(SC2=C(C=C(C=C2)C(F)(F)F)N3C1=CC=C3)C4=CC=C(C=C4)OC","OMUFJNPHOJTECE-UHFFFAOYSA-N",378550,NA,"PDBC27737","661185","Present",NA,NA
+"27738","6-(4-Methoxyphenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)pyran-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-2-oxo-4-(4-phenylpiperazin-1-yl)-2H-pyran-3-carbonitrile",NA,"COC1=CC=C(C=C1)C2=CC(=C(C(=O)O2)C#N)N3CCN(CC3)C4=CC=CC=C4","UCLIAKOEAUNNPI-UHFFFAOYSA-N",360619,NA,"PDBC27738","622924","Present",NA,NA
+"27739","6-(4-Methoxyphenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-3-(2,3,5-trichlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"COC1=CC=C(C=C1)C2=NN3C(=NN=C3SC2)C4=C(C(=CC(=C4)Cl)Cl)Cl","BWBLDIOPJDXGHY-UHFFFAOYSA-N",24874170,NA,"PDBC27739","742066","Present",NA,NA
+"27740","6-(4-Methoxyphenyl)-4,6-dioxo-5-phenyl-N-(3-(trifluoromethyl)phenyl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-4,6-dioxo-5-phenyl-N-(3-(trifluoromethyl)phenyl)hexanamide",NA,"COC1=CC=C(C=C1)C(=O)C(C2=CC=CC=C2)C(=O)CCC(=O)NC3=CC=CC(=C3)C(F)(F)F","YMTGFFPLZMCYTL-UHFFFAOYSA-N",362290,NA,"PDBC27740","625901","Present",NA,NA
+"27741","6-(4-Methoxyphenyl)-4-(2-thienylmethyl)-3-pyridazinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-4-(2-thienylmethyl)-3-pyridazinol",NA,"COC1=CC=C(C=C1)C2=NNC(=O)C(=C2)CC3=CC=CS3","GQXHSRUPIKGHNA-UHFFFAOYSA-N",363655,NA,"PDBC27741","628695","Present",NA,NA
+"27742","6-(4-Methoxyphenyl)-4-sulfanylidene-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-4-sulfanylidene-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaen-8-one",NA,"COC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OC3=O)NC(=S)N2","ZTZZIVRNXTXKNC-UHFFFAOYSA-N",5472283,NA,"PDBC27742","717576","Present",NA,NA
+"27743","6-(4-Methoxyphenyl)-5-ethyl-2-methoxy-3-methylpyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-5-ethyl-2-methoxy-3-methylpyran-4-one",NA,"CCC1=C(OC(=C(C1=O)C)OC)C2=CC=C(C=C2)OC","UREQJDULEDWSHI-UHFFFAOYSA-N",390137,NA,"PDBC27743","687164","Present",NA,NA
+"27744","6-(4-Methoxyphenyl)-5-methyl-2-(2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-5-methyl-2-(2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine",NA,"CC1=CCN(OC1C2=CC=C(C=C2)OC)C3=CC=CC=N3","DRWFAZTXANKKGB-UHFFFAOYSA-N",370843,NA,"PDBC27744","644549","Present",NA,NA
+"27745","6-(4-Methoxyphenyl)-5-methyl-2-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-5-methyl-2-(6-methyl-2-pyridinyl)-3,6-dihydro-2H-1,2-oxazine",NA,"CC1=CCN(OC1C2=CC=C(C=C2)OC)C3=CC=CC(=N3)C","QIDAYJGMKNVDSV-UHFFFAOYSA-N",370844,NA,"PDBC27745","644550","Present",NA,NA
+"27746","6-(4-Methoxyphenyl)-5-methyl-2-phenyl-3,6-dihydro-2H-1,2-oxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-5-methyl-2-phenyl-3,6-dihydro-2H-1,2-oxazine",NA,"CC1=CCN(OC1C2=CC=C(C=C2)OC)C3=CC=CC=C3","ZETXPZGSYHBXDK-UHFFFAOYSA-N",370847,NA,"PDBC27746","644553","Present",NA,NA
+"27747","6-(4-Methoxyphenyl)-6-thioxo-benzo[d][1,3,2]benzodioxaphosphepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzo[d,f][1,3,2]dioxaphosphepin, 6-(4-methoxyphenyl)-...",NA,"COC1=CC=C(C=C1)P2(=S)OC3=CC=CC=C3C4=CC=CC=C4O2","ZRAPWVGPFXQJIF-UHFFFAOYSA-N",386496,NA,"PDBC27747","678866","Present",NA,NA
+"27748","6-(4-Methoxyphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine",NA,"COC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl","QAXLOTZYAKIOGP-UHFFFAOYSA-N",11484463,NA,"PDBC27748","731105","Present",NA,NA
+"27749","6-(4-Methoxyphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenyl)-9-oxa-3,5-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15,17-hexaene-4,8-dione",NA,"COC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OC3=O)NC(=O)N2","RMVBTEVXOKLDCL-UHFFFAOYSA-N",403103,NA,"PDBC27749","717575","Present",NA,NA
+"27750","6-(4-Methoxyphenyl)furo[2,3-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW642138X",NA,"COC1=CC=C(C=C1)C2=CC3=C(N=CN=C3O2)N","DIJLFIHLUYAZCI-UHFFFAOYSA-N",5329802,NA,"PDBC27750","756296","Present",NA,NA
+"27751","6-(4-Methoxyphenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methoxyphenylimino)-2,2-dimethyl-3,4-dihydro-2H-naphtho[1,2-b]pyran-5(6H)-one",NA,"CC1(CCC2=C(O1)C3=CC=CC=C3C(=NC4=CC=C(C=C4)OC)C2=O)C","NYQHVOGMNPXSSV-UHFFFAOYSA-N",396838,NA,"PDBC27751","703856","Present",NA,NA
+"27752","6-(4-Methyl-1-piperazinyl)-3,4-dihydro-2(1H)-quinoxalinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methyl-1-piperazinyl)-3,4-dihydro-2(1H)-quinoxalinone",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)NC(=O)CN3","JVHHLGJKLYTZAV-UHFFFAOYSA-N",393713,NA,"PDBC27752","696226","Present",NA,NA
+"27753","6-(4-Methylphenyl)-1,2-dihydropyridazine-3,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5238318",NA,"CC1=CC=C(C=C1)C2=CC(=O)C(=O)NN2","HAJZXCKVNFFSNI-UHFFFAOYSA-N",390366,NA,"PDBC27753","687705","Present",NA,NA
+"27754","6-(4-Methylphenyl)-2-(4-methylsulfonylphenyl)-4,5-dihydropyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-(methylsulfonyl)phenyl)-6-p-tolyl-4,5-dihydropyrida...",NA,"CC1=CC=C(C=C1)C2=NN(C(=O)CC2)C3=CC=C(C=C3)S(=O)(=O)C","SFJNMJUBPDYINN-UHFFFAOYSA-N",72375194,NA,"PDBC27754","762908","Present",NA,NA
+"27755","6-(4-Methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methylphenyl)-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazole-5,7-dione",NA,"CC1=CC=C(C=C1)N2C(=O)C3CSCN3C2=O","MWMWTFFHMXEJNL-UHFFFAOYSA-N",357328,NA,"PDBC27755","615578","Present",NA,NA
+"27756","6-(4-Methylphenyl)-4,17-dithia-2,7,8-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methylphenyl)-4,17-dithia-2,7,8-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,6,11(16)-tetraen-9-one",NA,"CC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC5=C4CCCC5","COSAOXZFDJQNPC-UHFFFAOYSA-N",384935,NA,"PDBC27756","675757","Present",NA,NA
+"27757","6-(4-Methylphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methylphenyl)-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine",NA,"CC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl","NYVLXPZNIVIRFN-UHFFFAOYSA-N",11336170,NA,"PDBC27757","731104","Present",NA,NA
+"27758","6-(4-Methylphenyl)-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methylphenyl)-8-(4-methoxyphenyl)imidazo[1,2-a]pyrazine",NA,"CC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)OC","IDDBUVVTZFNIJD-UHFFFAOYSA-N",11771442,NA,"PDBC27758","730267","Present",NA,NA
+"27759","6-(4-Methylphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Methylphenyl)-8-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepine-2,4-diamine",NA,"CC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3NC(C2)C4=CC=CC=C4)N)N","JMNFCUSKFATQJW-UHFFFAOYSA-N",388801,NA,"PDBC27759","683889","Present",NA,NA
+"27760","6-(4-Methylpiperazin-1-yl)-2-(3-methoxyphenyl)quinolin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Methoxyphenyl)-6-(4-methylpiperazin-1-yl)quinolin-4-ol",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)NC(=CC3=O)C4=CC(=CC=C4)OC","JTPGUKWWWLQMOZ-UHFFFAOYSA-N",379513,NA,"PDBC27760","664170","Present",NA,NA
+"27761","6-(4-Methylsulfanylanilino)pyrimidine-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-(Methylthio)anilino)-2,4-pyrimidinediol",NA,"CSC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2","DVXLTQOKTSFNGM-UHFFFAOYSA-N",389517,NA,"PDBC27761","685808","Present",NA,NA
+"27762","6-(4-Morpholinyl)-3,4-dihydro-2(1H)-quinoxalinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Morpholinyl)-3,4-dihydro-2(1H)-quinoxalinone",NA,"C1COCCN1C2=CC3=C(C=C2)NC(=O)CN3","FKRRSRIVFUELDS-UHFFFAOYSA-N",393714,NA,"PDBC27762","696227","Present",NA,NA
+"27763","6-(4-Nitrophenyl)-2-phenyl-thiazolo[3,2-b][1,2,4]triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Nitrophenyl)-2-phenyl-thiazolo[2,3-e][1,2,4]triazole",NA,"C1=CC=C(C=C1)C2=NN3C(=CSC3=N2)C4=CC=C(C=C4)[N+](=O)[O-]","NPJHYMWQVRUNAQ-UHFFFAOYSA-N",388417,NA,"PDBC27763","683325","Present",NA,NA
+"27764","6-(4-Nitrophenyl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaene-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Nitrophenyl)-4-oxo-3-azatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),5,11,13-pentaene-5-carbonitrile",NA,"C1CC2=CC=CC=C2C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=C(C=C4)[N+](=O)[O-]","MTRQHXFJAFZDNX-UHFFFAOYSA-N",403238,NA,"PDBC27764","717897","Present",NA,NA
+"27765","6-(4-Oxo-4H-chromen-2-yl)-N-(4-pyridinylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Oxo-4H-chromen-2-yl)-N-(4-pyridinylmethyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide",NA,"C1C(OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3)C(=O)NCC5=CC=NC=C5","VMFSBYCGHKGKHT-UHFFFAOYSA-N",361056,NA,"PDBC27765","623797","Present",NA,NA
+"27766","6-(4-Phenoxyphenyl)-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Phenoxyphenyl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=C(C=C4)OC5=CC=CC=C5","RLBXEENBVHIEDK-UHFFFAOYSA-N",373171,NA,"PDBC27766","649120","Present",NA,NA
+"27767","6-(4-Phenylpiperazin-1-yl)-3,4-dihydro-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Phenylpiperazin-1-yl)-3,4-dihydro-1H-quinoxalin-2-one",NA,"C1CN(CCN1C2=CC=CC=C2)C3=CC4=C(C=C3)NC(=O)CN4","IFPWYJJGAUIPFD-UHFFFAOYSA-N",393715,NA,"PDBC27767","696228","Present",NA,NA
+"27768","6-(4-Pyridinyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Pyridinyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole",NA,"C1CSC2=NC(=CN21)C3=CC=NC=C3","PGKBPNVZTCMLPE-UHFFFAOYSA-N",369511,NA,"PDBC27768","641291","Present",NA,NA
+"27769","6-(4-Tert-butylphenoxy)pyridin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CB-103",NA,"CC(C)(C)C1=CC=C(C=C1)OC2=NC=C(C=C2)N","WHIWGRCYMQLLAO-UHFFFAOYSA-N",2735289,NA,"PDBC27769","823659","Present",NA,NA
+"27770","6-(4-Trichloroacetyloxy-1-butyl)-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Trichloroacetyloxy-1-butyl)-5,6-dihydro-2,3-dimetho...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCOC(=O)C(Cl)(Cl)Cl)OC","ZNPUOQQCEJINCR-UHFFFAOYSA-N",45027858,NA,"PDBC27770","728857","Present",NA,NA
+"27771","6-(4-Trifluoroacetyloxy-1-butyl)-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(4-Trifluoroacetyloxy-1-butyl)-5,6-dihydro-2,3-dimetho...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCOC(=O)C(F)(F)F)OC","FJAUPDZHDDSGQP-UHFFFAOYSA-N",45027859,NA,"PDBC27771","728858","Present",NA,NA
+"27772","6-(5,6-Dichloro-1H-benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5,6-Dichloro-1H-benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-carboxylic acid",NA,"CC1(C(CCC(O1)(C)C2=NC3=CC(=C(C=C3N2)Cl)Cl)C(=O)O)C","QSPIKFKGKSSIKJ-UHFFFAOYSA-N",388081,NA,"PDBC27772","682544","Present",NA,NA
+"27773","6-(5-(Hydroxy(oxido)amino)-1,3,6-cycloheptatrien-1-yl)-2-mercapto-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(5-Nitrocyclohepta-1,3,6-trien-1-yl)-2-sulfanylidene-N-(1,3-thiazol-2-yl)-1H-pyrimidine-6-carboxamide",NA,"C1=CC(C=CC(=C1)C2=NC(=S)NC(=C2)C(=O)NC3=NC=CS3)[N+](=O)[O-]","OZAYELULOHTLPH-UHFFFAOYSA-N",3004125,NA,"PDBC27773","630366","Present",NA,NA
+"27774","6-(5-Aminopentyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5-Aminopentyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCN.Cl","QTQJHZZMWNNAFI-UHFFFAOYSA-N",16221201,NA,"PDBC27774","736829","Present",NA,NA
+"27775","6-(5-Hexen-1-yl)-2-methylellipticinium acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5-Hexen-1-yl)-2-methylellipticinium acetate",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCC=C)C)C.CC(=O)[O-]","GMDZLMBCOXUGHY-UHFFFAOYSA-M",365250,NA,"PDBC27775","632624","Present",NA,NA
+"27776","6-(5-Hydroxypentylamino)pyrimidine-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5-Hydroxypentylamino)pyrimidine-2,4-diol",NA,"C1=C(NC(=O)NC1=O)NCCCCCO","WZNPZRNIEVJPCF-UHFFFAOYSA-N",388646,NA,"PDBC27776","683658","Present",NA,NA
+"27777","6-(5-Imino-2,4-dimethyl-benzo[b][1,8]naphthyridin-10-yl)hexan-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5-Imino-2,4-dimethyl-pyrido[2,3-b]quinolin-10-yl)hexan-1-ol",NA,"CC1=CC(=NC2=C1C(=N)C3=CC=CC=C3N2CCCCCCO)C","UQSPFMIFABHKSY-UHFFFAOYSA-N",393121,NA,"PDBC27777","694521","Present",NA,NA
+"27778","6-(5-Nitro-2-furyl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine 2,2-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5-Nitro-2-furyl)-1,5-dihydroimidazo[4,5-c][1,2,6]thiadiazin-4-amine 2,2-dioxide",NA,"C1=C(OC(=C1)[N+](=O)[O-])C2=NC3=C(N2)C(=NS(=O)(=O)N3)N","MFZIUVRPQNKZFL-UHFFFAOYSA-N",135408995,NA,"PDBC27778","652585","Present",NA,NA
+"27779","6-(5-Nitro-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5-Nitro-2-furyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"C1C(=NN2C=NN=C2S1)C3=CC=C(O3)[N+](=O)[O-]","XXYGMDHPEVSWBI-UHFFFAOYSA-N",364210,NA,"PDBC27779","629972","Present",NA,NA
+"27780","6-(5-Nitro-furan-2-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5-Nitro-furan-2-yl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine",NA,"C1C(=NN2C(=NN=C2S1)C3=CC=CC=C3)C4=CC=C(O4)[N+](=O)[O-]","SCQCPMKKTIXRFD-UHFFFAOYSA-N",364211,NA,"PDBC27780","629973","Present",NA,NA
+"27781","6-(5-Nitropyridin-2-yl)sulfanyl-7H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5-Nitropyridin-2-yl)sulfanyl-7H-purin-2-amine",NA,"C1=CC(=NC=C1[N+](=O)[O-])SC2=NC(=NC3=C2NC=N3)N","WYJFAXJZRYHOEC-UHFFFAOYSA-N",3977545,NA,"PDBC27781","704077","Present",NA,NA
+"27782","6-(5-Tetrahydropyranylossi-1-pentynyl)-2(2H)-pyranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5-tetrahydropyranylossi-1-pentynyl)-2(2H)-pyranone",NA,"C1CC(OC1)OCCCCC#CC2=CC=CC(=O)O2","BTWATBHXZHIZLY-UHFFFAOYSA-N",24203140,NA,"PDBC27782","726861","Present",NA,NA
+"27783","6-(6-Aminohexyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(6-Aminohexyl)-5,6-dihydro-5,11-diketo-11H-indeno[1,2-...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCN.Cl","RQCIYCGWTNGFCB-UHFFFAOYSA-N",16221320,NA,"PDBC27783","736832","Present",NA,NA
+"27784","6-(6-Aminopurin-9-yl)-2-ethoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(6-Aminopurin-9-yl)-2-ethoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol;benzene",NA,"CCOP1(=O)OCC2C(O1)C(C(O2)N3C=NC4=C(N=CN=C43)N)O.C1=CC=CC=C1","IRTSOWBBYWGRAO-UHFFFAOYSA-N",5458341,NA,"PDBC27784","157722","Present",NA,NA
+"27785","6-(6-Chlorohexyl)-5,11-dimethylpyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(6-Chlorohexyl)-5,11-dimethylpyrido[4,3-b]carbazole",NA,"CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCCCCl)C","QXRJZUMTRPUNTN-UHFFFAOYSA-N",294879,NA,"PDBC27785","164018","Present",NA,NA
+"27786","6-(6-Chrysenyl)-5H-dibenzo[c,e]azepine-5,7(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Dibenz[c,e]azepine-5,7(6H)-dione,6-(6-chrysenyl)-",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N5C(=O)C6=CC=CC=C6C7=CC=CC=C7C5=O","SQTNIIDYSRRCTE-UHFFFAOYSA-N",278721,NA,"PDBC27786","128609","Present",NA,NA
+"27787","6-(6-Formyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(6-Formyl-1,3-benzodioxol-5-yl)-1,3-benzodioxole-5-carbaldehyde",NA,"C1OC2=C(O1)C=C(C(=C2)C=O)C3=CC4=C(C=C3C=O)OCO4","YIZUURXCQYVELL-UHFFFAOYSA-N",372299,NA,"PDBC27787","647358","Present",NA,NA
+"27788","6-(6-Oxo-6h-benzo[c]chromen-2-yl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(6-Oxo-6h-benzo[c]chromen-2-yl)-5h-dibenzo[c,e]azepine-5,7(6h)-dione",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)N(C2=O)C4=CC5=C(C=C4)OC(=O)C6=CC=CC=C65","VICGFCOICVDWNK-UHFFFAOYSA-N",278719,NA,"PDBC27788","128607","Present",NA,NA
+"27789","6-(7'-Tert-BOC-aminoheptyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(7'-tert-BOC-aminoheptyl)-5,6-dihydro-5,11-dioxo-11H-i...",NA,"CC(C)(C)OC(=O)NCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","MKGPVEKZHFOBNH-UHFFFAOYSA-N",16221147,NA,"PDBC27789","740269","Present",NA,NA
+"27790","6-(7-Acetoxy-1,3-heptadiyn-1-yl)-2(2H)pyranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(7-acetoxy-1,3-heptadiyn-1-yl)-2(2H)pyranone",NA,"CC(=O)OCCCC#CC#CC1=CC=CC(=O)O1","GOZYIRFTJJRAPN-UHFFFAOYSA-N",11322505,NA,"PDBC27790","727041","Present",NA,NA
+"27791","6-(7-Amonoheptyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(7-amonoheptyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2-...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCN.Cl","XZYQPYXTCVISKA-UHFFFAOYSA-N",16221203,NA,"PDBC27791","740508","Present",NA,NA
+"27792","6-(7-Hydroxy-1,3-heptadiynyl)-2(2h)-pyranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(7-hydroxy-1,3-heptadiynyl)-2(2h)-pyranone",NA,"C1=CC(=O)OC(=C1)C#CC#CCCCO","BKTZMEUVJHJSMK-UHFFFAOYSA-N",24203168,NA,"PDBC27792","727039","Present",NA,NA
+"27793","6-(7-Oxobenzo[d][1]benzazepin-6-yl)benzo[d][1]benzazepin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(7-Oxobenzo[d][1]benzazepin-6-yl)benzo[d][1]benzazepin-7-one",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3N=C(C2=O)C4=NC5=CC=CC=C5C6=CC=CC=C6C4=O","YKYZLIJAYCKHLR-UHFFFAOYSA-N",402686,NA,"PDBC27793","716872","Present",NA,NA
+"27794","6-(8'-Tert-BOC-aminooctyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(8'-tert-BOC-aminooctyl)-5,6-dihydro-5,11-dioxo-11H-in...",NA,"CC(C)(C)OC(=O)NCCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","TUVVWUBRVFNQSD-UHFFFAOYSA-N",16221265,NA,"PDBC27794","740271","Present",NA,NA
+"27795","6-(8-Aminooctyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(8-aminooctyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2-c...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCCN.Cl","FLAGWBIQDIPCGF-UHFFFAOYSA-N",16221321,NA,"PDBC27795","740509","Present",NA,NA
+"27796","6-(9'-Tert-BOC-aminononyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(9'-tert-BOC-aminononyl)-5,6-dihydro-5,11-dioxo-11H-in...",NA,"CC(C)(C)OC(=O)NCCCCCCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","PCGWBTYJIYRUAE-UHFFFAOYSA-N",16221148,NA,"PDBC27796","740274","Present",NA,NA
+"27797","6-(9-Aminononyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(9-Aminononyl)-5,6-dihydro-5,11-dioxo-11H-indeno[1,2-c...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCCCCCCN.Cl","UJPNNXFCZNOYER-UHFFFAOYSA-N",16221205,NA,"PDBC27797","740565","Present",NA,NA
+"27798","6-(Acetylamino)-2-(3-chlorophenyl)quinolin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Acetylamino)-2-(3-chlorophenyl)quinolin-4(1H)-one",NA,"CC(=O)NC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)Cl","JPIAGESTEGBCNE-UHFFFAOYSA-N",377394,NA,"PDBC27798","658837","Present",NA,NA
+"27799","6-(Acetylamino)-2-(3-fluorophenyl)quinolin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Acetylamino)-2-(3-fluorophenyl)quinolin-4(1H)-one",NA,"CC(=O)NC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)F","SNJDIYIRSGAION-UHFFFAOYSA-N",376375,NA,"PDBC27799","657277","Present",NA,NA
+"27800","6-(Acetylamino)-5-imino-7-methyl-8-oxo-2,3,5,8-tetrahydro-1H-pyrrolo(1,2-a)benzimidazol-3-yl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"syn/anti-6-Acetamido-5-imino-7methyl-2,3-dihydro-1H-pyrr...",NA,"CC1=C(C(=N)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C4=CC=CC=C4)NC(=O)C","LINVEZGIQLALNN-UHFFFAOYSA-N",377194,NA,"PDBC27800","658421","Present",NA,NA
+"27801","6-(Acetyloxymethyl)-8-(1,3-benzodioxol-5-yl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Acetyloxymethyl)-8-(1,3-benzodioxol-5-yl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"CC(=O)OCC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC5=C(C=C4)OCO5)C(=O)O","CNYVWIAXGRHPQV-UHFFFAOYSA-N",358798,NA,"PDBC27801","618867","Present",NA,NA
+"27802","6-(Acetyloxymethyl)-8-(2,4-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Acetyloxymethyl)-8-(2,4-dimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"CC(=O)OCC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=C(C=C(C=C4)OC)OC)C(=O)O","JXWOGGXSDWPUSV-UHFFFAOYSA-N",358799,NA,"PDBC27802","618868","Present",NA,NA
+"27803","6-(Acetyloxymethyl)-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Acetyloxymethyl)-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"CC(=O)OCC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)O","RPIXQFLHLFXXGV-UHFFFAOYSA-N",358791,NA,"PDBC27803","618860","Present",NA,NA
+"27804","6-(Acetyloxymethyl)-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Acetyloxymethyl)-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"CC(=O)OCC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)OC)C(=O)O","DAOOIVSMQFEKIW-UHFFFAOYSA-N",358804,NA,"PDBC27804","618873","Present",NA,NA
+"27805","6-(Azidomethyl)-4,5-dibenzyloxy-tetrahydropyran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Anhydro-3,4-di-O-benzyl-1-deoxy-1-(2.lambda.~5~-1,2-triazadienyl)hexitol",NA,"C1C(C(C(C(O1)CN=[N+]=[N-])OCC2=CC=CC=C2)OCC3=CC=CC=C3)O","IXUXOCVYBHXBOU-UHFFFAOYSA-N",384674,NA,"PDBC27805","674719","Present",NA,NA
+"27806","6-(Aziridin-1-yl)-3-hydroxy-7-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 2,3-dihydro- 6...",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)O)N4CC4","CUWRQGLHMSVVKC-UHFFFAOYSA-N",374004,NA,"PDBC27806","651078","Present",NA,NA
+"27807","6-(Benzenesulfinyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Benzenesulfinyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione",NA,"CN1C(=O)N2CC(N2C1=O)S(=O)C3=CC=CC=C3","UZKXFVPLDGUCAU-UHFFFAOYSA-N",391909,NA,"PDBC27807","691590","Present",NA,NA
+"27808","6-(Benzenesulfonyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Benzenesulfonyl)-3-methyl-1,3,5-triazabicyclo[3.2.0]heptane-2,4-dione",NA,"CN1C(=O)N2CC(N2C1=O)S(=O)(=O)C3=CC=CC=C3","QWLORWNZNJNBMN-UHFFFAOYSA-N",391910,NA,"PDBC27808","691591","Present",NA,NA
+"27809","6-(Benzoylamino)-N-isobutyl-2,4-dioxo-3-phenyl-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzamido-N-(2-methylpropyl)-2,4-dioxo-3-phenyl-1H-thieno[2,3-d]pyrimidine-5-carboxamide",NA,"CC(C)CNC(=O)C1=C(SC2=C1C(=O)N(C(=O)N2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4","IWDJWKPZPVONOF-UHFFFAOYSA-N",381181,NA,"PDBC27809","667512","Present",NA,NA
+"27810","6-(Benzylamino)-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Benzylamino)-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1C(C2=C(SC(=C2C1=O)Cl)Cl)NCC3=CC=CC=C3","JEAQIQHZRSZYRC-UHFFFAOYSA-N",396937,NA,"PDBC27810","704119","Present",NA,NA
+"27811","6-(Benzylideneamino)-3-(4-methoxyphenyl)-2-methyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Benzylideneamino)-3-(4-methoxyphenyl)-2-methyl-4(3H)-quinazolinone",NA,"CC1=NC2=C(C=C(C=C2)N=CC3=CC=CC=C3)C(=O)N1C4=CC=C(C=C4)OC","BXOGBVSDUZVZFG-UHFFFAOYSA-N",386691,NA,"PDBC27811","679221","Present",NA,NA
+"27812","6-(Benzyloxy)-2,2,6-trimethyl-1,4-diazabicyclo[3.2.0]heptan-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Benzyloxy)-2,2,6-trimethyl-1,4-diazabicyclo[3.2.0]heptan-7-one",NA,"CC1(CNC2N1C(=O)C2(C)OCC3=CC=CC=C3)C","DQVBIFYVYXCTBY-UHFFFAOYSA-N",373033,NA,"PDBC27812","648866","Present",NA,NA
+"27813","6-(Benzyloxy)-2-isopropyl-6-methyl-1,4-diazabicyclo[3.2.0]heptan-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Benzyloxy)-2-isopropyl-6-methyl-1,4-diazabicyclo[3.2.0]heptan-7-one",NA,"CC(C)C1CNC2N1C(=O)C2(C)OCC3=CC=CC=C3","VNZBYAMUNLVHEA-UHFFFAOYSA-N",373029,NA,"PDBC27813","648862","Present",NA,NA
+"27814","6-(Benzyloxy)-2-methoxy-5-nitroso-4-pyrimidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Benzyloxy)-2-methoxy-5-nitroso-4-pyrimidinamine",NA,"COC1=NC(=C(C(=N1)OCC2=CC=CC=C2)N=O)N","IRUZRGKXYPCVSQ-UHFFFAOYSA-N",378838,NA,"PDBC27814","662155","Present",NA,NA
+"27815","6-(Benzyloxy)-5-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-5-endo-Bromo-6-exo-benzyloxycamphor///(1R)-5-endo-Bromo-6-endo-benzoyloxycamphor",NA,"CC1(C2CC(=O)C1(C(C2Br)OCC3=CC=CC=C3)C)C","NLGHJXPXSDXPOH-UHFFFAOYSA-N",376767,NA,"PDBC27815","657824///657827","Present",NA,NA
+"27816","6-(Benzyloxy)-5-methoxy-1H-indole-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OR8600T",NA,"COC1=C(C=C2C(=C1)C=C(N2)C(=O)O)OCC3=CC=CC=C3","JMOOGCFXFNKYCS-UHFFFAOYSA-N",260801,NA,"PDBC27816","92530","Present",NA,NA
+"27817","6-(Benzyloxy)-6-cyclopropyl-2-isopropyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Benzyloxy)-6-cyclopropyl-2-isopropyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one",NA,"CC(C)C1CSC2N1C(=O)C2(C3CC3)OCC4=CC=CC=C4","PVAYOPQURUHFJD-UHFFFAOYSA-N",378333,NA,"PDBC27817","660368","Present",NA,NA
+"27818","6-(Benzyloxycarbonylamino)-2-[[3-(4-benzyloxyphenyl)-2-(tert-butoxycarbonylamino)propanoyl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)O","KQAYCLXEQVMWMJ-UHFFFAOYSA-N",381798,NA,"PDBC27818","668876","Present",NA,NA
+"27819","6-(Benzylthio)-9-propyl-9H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Benzylsulfanyl)-9-propyl-9h-purin-2-amine",NA,"CCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3)N","JXOXYPGUGSIABS-UHFFFAOYSA-N",238156,NA,"PDBC27819","42379","Present",NA,NA
+"27820","6-(Bromomethyl)-2,3-dimethyl-7H-imidazo[4,5-g]quinazoline-4,8,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Bromomethyl)-2,3-dimethyl-7H-imidazo[4,5-g]quinazoline-4,8,9-trione",NA,"CC1=NC2=C(N1C)C(=O)C3=C(C2=O)C(=O)NC(=N3)CBr","UMATXTVTALLULJ-UHFFFAOYSA-N",135503402,NA,"PDBC27820","622243","Present",NA,NA
+"27821","6-(Bromomethyl)anthracene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(bromomethyl)-1,4-anthracenedione.",NA,"C1=CC2=CC3=C(C=C2C=C1CBr)C(=O)C=CC3=O","YZTASELZZRJKCU-UHFFFAOYSA-N",9995010,NA,"PDBC27821","727286","Present",NA,NA
+"27822","6-(Chloromethyl)-N-Phenyl-1,3,5-Triazine-2,4-Diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-Triazine, 2-amino-4-anilino-6-(chloromethyl)-",NA,"C1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CCl","ZEXYPLRLARKYLF-UHFFFAOYSA-N",34942,NA,"PDBC27822","89736","Present",NA,NA
+"27823","6-(Chloromethyl)-N-naphthalen-2-yl-2-oxochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Chloromethyl)-N-naphthalen-2-yl-2-oxochromene-3-carboxamide",NA,"C1=CC=C2C=C(C=CC2=C1)NC(=O)C3=CC4=C(C=CC(=C4)CCl)OC3=O","LHCCVBZNXRRLDN-UHFFFAOYSA-N",402502,NA,"PDBC27823","716528","Present",NA,NA
+"27824","6-(Cyclohexylmethoxy)-9-methyl-9h-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-6-cyclohexylmethoxy-N(sup 9)-methylpurine",NA,"CN1C=NC2=C1N=C(N=C2OCC3CCCCC3)N","IZBCFXDXJUOCNZ-UHFFFAOYSA-N",398149,NA,"PDBC27824","707617","Present",NA,NA
+"27825","6-(Dibenzylamino)-2,2-dimethyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Dibenzylamino)-2,2-dimethyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one",NA,"CC1(COC2N1C(=O)C2N(CC3=CC=CC=C3)CC4=CC=CC=C4)C","CBUHRTWRODPERM-UHFFFAOYSA-N",362488,NA,"PDBC27825","626498","Present",NA,NA
+"27826","6-(Diethylamino)-N,N-diethyl-4-(4-morpholinyl)-2-oxo-2H-pyran-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Diethylamino)-N,N-diethyl-4-(4-morpholinyl)-2-oxo-2H-pyran-3-carboxamide",NA,"CCN(CC)C1=CC(=C(C(=O)O1)C(=O)N(CC)CC)N2CCOCC2","OKAXQLYZCFNJIQ-UHFFFAOYSA-N",375435,NA,"PDBC27826","655158","Present",NA,NA
+"27827","6-(Diethylaminoethyl)diquino-1,4-thiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(diethylaminoethyl)diquino-1,4-thiazine",NA,"CCN(CC)CCN1C2=NC3=CC=CC=C3C=C2SC4=CC5=CC=CC=C5N=C41","XDKDBQZAQPTXME-UHFFFAOYSA-N",24858011,NA,"PDBC27827","744656","Present",NA,NA
+"27828","6-(Dimethoxymethyl)-1,3-benzodioxole-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Dimethoxymethyl)-1,3-benzodioxole-5-carbaldehyde",NA,"COC(C1=CC2=C(C=C1C=O)OCO2)OC","RWYRPEMGCYSEEM-UHFFFAOYSA-N",357964,NA,"PDBC27828","617639","Present",NA,NA
+"27829","6-(Dimethylamino)-2,2-dimethyl-4-(2-pyridinyl)-3-hexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Dimethylamino)-2,2-dimethyl-4-(2-pyridinyl)-3-hexanone",NA,"CC(C)(C)C(=O)C(CCN(C)C)C1=CC=CC=N1","WHFIZBVXVJYPFM-UHFFFAOYSA-N",238460,NA,"PDBC27829","42808","Present",NA,NA
+"27830","6-(Dimethylamino)-2-(3-methoxyphenyl)quinolin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664172///4-(1H)Quinolinone, 2-(3-methoxyphenyl)-6-(dimethylamino)-",NA,"CN(C)C1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)OC","QWTLGBXHTGTPMU-UHFFFAOYSA-N",379515,NA,"PDBC27830","664172///664173","Present",NA,NA
+"27831","6-(Dimethylamino)-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Dimethylamino)-9-methoxyindeno[1,2-c]quinolin-11-one",NA,"CN(C)C1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC","XFKQQPZRLCVZOJ-UHFFFAOYSA-N",24205573,NA,"PDBC27831","736182","Present",NA,NA
+"27832","6-(Dimethylaminopropyl)diquino-1,4-thiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(dimethylaminopropyl)diquino-1,4-thiazine",NA,"CN(C)CCCN1C2=NC3=CC=CC=C3C=C2SC4=CC5=CC=CC=C5N=C41","ZXBQCBXQRGOEHD-UHFFFAOYSA-N",24858163,NA,"PDBC27832","744660","Present",NA,NA
+"27833","6-(Dimethylarsanylsulfanylmethyl)oxane-2,3,4,5-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-thio-.beta.-d-glucopyranose, 6-(dimethylarsinite)",NA,"C[As](C)SCC1C(C(C(C(O1)O)O)O)O","MGSFMZYHFQRBQS-UHFFFAOYSA-N",311912,NA,"PDBC27833","218476","Present",NA,NA
+"27834","6-(Ethylamino)-1,3-dimethyl-2,4(1H,3H)-pteridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Ethylamino)-1,3-dimethyl-2,4(1H,3H)-pteridinedione",NA,"CCNC1=CN=C2C(=N1)C(=O)N(C(=O)N2C)C","BSBFNRWYEWTDIV-UHFFFAOYSA-N",375735,NA,"PDBC27834","655744","Present",NA,NA
+"27835","6-(Ethylsulfanylmethyl)-2-(4-fluorophenyl)-3,4-diphenyloxan-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Ethylsulfanylmethyl)-2-(4-fluorophenyl)-3,4-diphenyloxan-4-ol",NA,"CCSCC1CC(C(C(O1)C2=CC=C(C=C2)F)C3=CC=CC=C3)(C4=CC=CC=C4)O","FSXDGPMVZPSKCM-UHFFFAOYSA-N",54613758,NA,"PDBC27835","750254","Present",NA,NA
+"27836","6-(Ethylthio)-1,3-dimethyluracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH1405780",NA,"CCSC1=CC(=O)N(C(=O)N1C)C","ONPOQHGFCFKOIC-UHFFFAOYSA-N",389796,NA,"PDBC27836","686400","Present",NA,NA
+"27837","6-(Ethylthio)-5-(4-methoxybenzyl)-3-phenyl-1,2,4-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Ethylthio)-5-(4-methoxybenzyl)-3-phenyl-1,2,4-triazine",NA,"CCSC1=C(N=C(N=N1)C2=CC=CC=C2)CC3=CC=C(C=C3)OC","VIYZQYSEYPLYNR-UHFFFAOYSA-N",375421,NA,"PDBC27837","655141","Present",NA,NA
+"27838","6-(Fluoromethyl)-2-mercapto-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Fluoromethyl)-2-mercapto-4-pyrimidinol",NA,"C1=C(NC(=S)NC1=O)CF","PTFKKKOYWVQBCY-UHFFFAOYSA-N",3246120,NA,"PDBC27838","33035","Present",NA,NA
+"27839","6-(Hexynyl)-2(2H)-pyranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(hexynyl)-2(2H)-pyranone",NA,"CCCCC#CC1=CC=CC(=O)O1","SOXKIWKNGLVASY-UHFFFAOYSA-N",24203137,NA,"PDBC27839","726858","Present",NA,NA
+"27840","6-(Hydroxy(oxido)amino)-N-(2-methoxyphenyl)-3-methyl-2-quinoxalinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Hydroxy(oxido)amino)-N-(2-methoxyphenyl)-3-methyl-2-quinoxalinecarboxamide",NA,"CC1=C(N=C2C=CC(=CC2=N1)[N+](=O)[O-])C(=O)NC3=CC=CC=C3OC","OWINEJIJYHTIPT-UHFFFAOYSA-N",369464,NA,"PDBC27840","641234","Present",NA,NA
+"27841","6-(Hydroxymethyl)-1,4-anthracenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(hydroxymethyl)-1,4-anthracenedione.",NA,"C1=CC2=CC3=C(C=C2C=C1CO)C(=O)C=CC3=O","RIEVVLNXNBBIHG-UHFFFAOYSA-N",11402158,NA,"PDBC27841","727285","Present",NA,NA
+"27842","6-(Hydroxymethyl)-4-oxo-4H-pyran-3-yl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyran-4-one, 2-(hydroxymethyl)-5-[[(4-methylphenyl)su...",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=COC(=CC2=O)CO","BYDFHDQOBGSPEW-UHFFFAOYSA-N",395499,NA,"PDBC27842","700141","Present",NA,NA
+"27843","6-(Hydroxymethyl)-8-(2-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Hydroxymethyl)-8-(2-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"COC1=CC=CC=C1C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","ITSICKZMPBTGLW-UHFFFAOYSA-N",359107,NA,"PDBC27843","619689","Present",NA,NA
+"27844","6-(Hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Hydroxymethyl)-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","IVFHQTFNUWDEAD-UHFFFAOYSA-N",358794,NA,"PDBC27844","618863","Present",NA,NA
+"27845","6-(Hydroxymethyl)-8-(3-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Hydroxymethyl)-8-(3-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"COC1=CC=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","YTYRHJIDNMHEKD-UHFFFAOYSA-N",359111,NA,"PDBC27845","619691","Present",NA,NA
+"27846","6-(Hydroxymethyl)-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Hydroxymethyl)-8-(4-methoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"COC1=CC=C(C=C1)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","AHQHMSPDODQHFH-UHFFFAOYSA-N",358803,NA,"PDBC27846","618872","Present",NA,NA
+"27847","6-(Methoxymethyl)-1,3,6-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7,12(19),13,15,17-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Methoxymethyl)-1,3,6-triazapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,7,12(19),13,15,17-hexaene",NA,"COCN1CCN=C2C1=C3CCCC4=C3N2C5=CC=CC=C45","UKRVTRALNUIWPH-UHFFFAOYSA-N",396630,NA,"PDBC27847","703129","Present",NA,NA
+"27848","6-(Methylsulfonyl)-9H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purin-2-amime, 6-(methylsulfonyl)-",NA,"CS(=O)(=O)C1=NC(=NC2=C1NC=N2)N","BMLIZZUILSDYDO-UHFFFAOYSA-N",5351179,NA,"PDBC27848","63446","Present",NA,NA
+"27849","6-(Methylsulfonylmethyl)-3-[7-[6-(methylsulfonylmethyl)-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Methylsulfonylmethyl)-3-[7-[6-(methylsulfonylmethyl)-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,"CS(=O)(=O)CC1=NC2=NN=C(N2C1=O)CCCCCCCC3=NN=C4N3C(=O)C(=N4)CS(=O)(=O)C","ILLSAKAQRZKXAU-UHFFFAOYSA-N",362242,NA,"PDBC27849","625846","Present",NA,NA
+"27850","6-(Methylthio)-7H-quino[3,2-d][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Methylthio)-7H-quino[3,2-d][1]benzazepine",NA,"CSC1=NC2=CC=CC=C2C3=NC4=CC=CC=C4C=C3C1","OGFJXQMWIHXIGR-UHFFFAOYSA-N",387018,NA,"PDBC27850","680339","Present",NA,NA
+"27851","6-(Phenylethynyl)-2(2H)-pyranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(phenylethynyl)-2(2H)-pyranone",NA,"C1=CC=C(C=C1)C#CC2=CC=CC(=O)O2","HUFQJXKYSPQVKX-UHFFFAOYSA-N",24203139,NA,"PDBC27851","726860","Present",NA,NA
+"27852","6-(Phenylethynyl)-5-(3,5-trimethoxyphenyl)-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(phenylethynyl)-5-(3,4,5-trimethoxyphenyl)-2H-pyran-2-one",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(OC(=O)C=C2)C#CC3=CC=CC=C3","KBJMQVSEFOSBNW-UHFFFAOYSA-N",45028146,NA,"PDBC27852","741287","Present",NA,NA
+"27853","6-(Phenylethynyl)-5-[(3,5-trimethoxyphenyl)ethynyl]-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(phenylethynyl)-5-[(3,4,5-trimethoxyphenyl)ethynyl]-2H...",NA,"COC1=CC(=CC(=C1OC)OC)C#CC2=C(OC(=O)C=C2)C#CC3=CC=CC=C3","WTFMOKPCXXJBOF-UHFFFAOYSA-N",45028147,NA,"PDBC27853","741288","Present",NA,NA
+"27854","6-(Phenylethynyl)-8-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Phenylethynyl)-8-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine",NA,"C1CCOC(C1)N2C3=NC=NC(=C3N=C2Cl)C#CC4=CC=CC=C4","VUFYZVTWLJHBHU-UHFFFAOYSA-N",401174,NA,"PDBC27854","714375","Present",NA,NA
+"27855","6-(Pyridin-4-yl)imidazo[2,1-b]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6793AC",NA,"C1=CN=CC=C1C2=CN3C=CSC3=N2","NLBFMECAIAFASS-UHFFFAOYSA-N",369508,NA,"PDBC27855","641288","Present",NA,NA
+"27856","6-(Tert-butoxycarbonylamino)-2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid",NA,"CC(C)(C)OC(=O)NCCCCC(C(=O)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35","XVPMCOPXSGWHBE-UHFFFAOYSA-N",383837,NA,"PDBC27856","672453","Present",NA,NA
+"27857","6-(Tetrahydro-2H-pyran-2-yloxy)-2-heptynoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Tetrahydro-2H-pyran-2-yloxy)-2-heptynoic acid",NA,"CC(CCC#CC(=O)O)OC1CCCCO1","FPHLQDZWQSLPMK-UHFFFAOYSA-N",381429,NA,"PDBC27857","668017","Present",NA,NA
+"27858","6-(Trifluoromethyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinoxalin-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Trifluoromethyl)-1,2-dihydro-3H-pyrazolo[3,4-b]quinoxalin-3-imine",NA,"C1=CC2=NC3=NNC(=C3N=C2C=C1C(F)(F)F)N","CBFUQPWHDSKCMB-UHFFFAOYSA-N",394342,NA,"PDBC27858","697711","Present",NA,NA
+"27859","6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)amino]quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)amino]quinoxaline-2-carboxylic acid",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","FEBSVSFPRPFEKI-UHFFFAOYSA-N",387134,NA,"PDBC27859","680550","Present",NA,NA
+"27860","6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylic acid",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","SFXDEUHOPIPJQQ-UHFFFAOYSA-N",390816,NA,"PDBC27860","688818","Present",NA,NA
+"27861","6-(Trifluoromethyl)-3-[(3,4-dichlorophenyl)amino]quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,4-Dichlorophenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"C1=CC2=C(C=C1C(F)(F)F)N=C(C(=N2)C(=O)O)NC3=CC(=C(C=C3)Cl)Cl","CCKNNWKBXVKHLZ-UHFFFAOYSA-N",386961,NA,"PDBC27861","680188","Present",NA,NA
+"27862","6-(Trifluoromethyl)-3-[(3,4-dimethoxyphenyl)amino]quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,4-Dimethoxyphenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"COC1=C(C=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)OC","UBDOSWJUPUOBME-UHFFFAOYSA-N",387136,NA,"PDBC27862","680552","Present",NA,NA
+"27863","6-(Trifluoromethyl)-3-[(4-fluorophenyl)amino]quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(4-Fluorophenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"C1=CC(=CC=C1NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)F","WGMQTIOOEZYVLD-UHFFFAOYSA-N",386963,NA,"PDBC27863","680190","Present",NA,NA
+"27864","6-(Trifluoromethyl)-3-[(4-fluorophenyl)amino]quinoxaline-2-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(4-fluorophenyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)F","HEMKXAZIEVSYED-UHFFFAOYSA-N",388003,NA,"PDBC27864","682366","Present",NA,NA
+"27865","6-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,"COC1=CC(=CC(=C1OC)OC)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","LNDLETDVHBPYRV-UHFFFAOYSA-N",367573,NA,"PDBC27865","637406","Present",NA,NA
+"27866","6-(chloroethylureidoethyl)diquino-1,4-thiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(chloroethylureidoethyl)diquino-1,4-thiazine",NA,"C1=CC=C2C(=C1)C=C3C(=N2)N(C4=NC5=CC=CC=C5C=C4S3)CCNC(=O)NCCCl","UHFHGUCGIVHXGO-UHFFFAOYSA-N",24858160,NA,"PDBC27866","744659","Present",NA,NA
+"27867","6-(hydroxymethyl)tetrahydropterin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(hydroxymethyl)tetrahydropterin",NA,"C1C(NC2=C(N1)N=C(NC2=O)N)CO.Cl","CHXHYPIZJNVGPD-UHFFFAOYSA-N",135510088,NA,"PDBC27867","626091","Present",NA,NA
+"27868","6-(m-Tolyl)-3-(o-tolyl)-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(m-Tolyl)-3-(o-tolyl)-5-thioxo-4H-thiazolo[4,5-d]pyrimidine-2,7-dione",NA,"CC1=CC(=CC=C1)N2C(=O)C3=C(NC2=S)N(C(=O)S3)C4=CC=CC=C4C","IQAQNOZYBSNCOX-UHFFFAOYSA-N",3004158,NA,"PDBC27868","633185","Present",NA,NA
+"27869","6-(p-Bromophenylazo)coumarin-3-carboxy-m-chloroanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(p-Bromophenylazo)coumarin-3-carboxy-m-chloroanilide",NA,"C1=CC(=CC(=C1)Cl)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)Br)OC2=O","YMIZLEMFGXBZKS-UHFFFAOYSA-N",364224,NA,"PDBC27869","630075","Present",NA,NA
+"27870","6-(p-Bromophenylazo)coumarin-3-carboxy-p-toluidide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(p-Bromophenylazo)coumarin-3-carboxy-p-toluidide",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)Br)OC2=O","RLHKHHIVHCWZLE-UHFFFAOYSA-N",364223,NA,"PDBC27870","630074","Present",NA,NA
+"27871","6-(p-Toluenesulfonylaminoethyl)diquino-1,4-thiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(p-toluenesulfonylaminoethyl)diquino-1,4-thiazine",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCN2C3=NC4=CC=CC=C4C=C3SC5=CC6=CC=CC=C6N=C52","HMIROELUYZRDFH-UHFFFAOYSA-N",24858161,NA,"PDBC27871","744658","Present",NA,NA
+"27872","6-(p-acetamidobenzylamino)uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(p-acetamidobenzylamino)uracil",NA,"CC(=O)NC1=CC=C(C=C1)CNC2=CC(=O)NC(=O)N2","HHKVUJXCQMODKK-UHFFFAOYSA-N",385856,NA,"PDBC27872","677255","Present",NA,NA
+"27873","6-(p-aminoanilino) uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(p-aminoanilino) uracil",NA,"C1=CC(=CC=C1N)NC2=CC(=O)NC(=O)N2","BNPLPIINVNQKFK-UHFFFAOYSA-N",385887,NA,"PDBC27873","677288","Present",NA,NA
+"27874","6-Acetamidobenzo-1,2,4-triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetamidobenzo-1,2,4-triazine",NA,"CC(=O)NC1=CC2=C(C=C1)N=NC=N2","QNXCSXKUUHKCKH-UHFFFAOYSA-N",360899,NA,"PDBC27874","623608","Present",NA,NA
+"27875","6-Acetoxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-3-oxo-8-azabicyclo[3.2.1]oct-6-yl acetate",NA,"CC(=O)OC1CC2CC(=O)CC1N2C","KGAJUIASUVGIAG-UHFFFAOYSA-N",380737,NA,"PDBC27875","666444","Present",NA,NA
+"27876","6-Acetoxymethyl-2-oxo-2H-1-benzopyran-3-carboxylic acid phenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 6-[(acetyloxy)methyl]-2-oxo-2h-chromene-3-carboxylate",NA,"CC(=O)OCC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)OC3=CC=CC=C3","WTTXBVUJHOKMQZ-UHFFFAOYSA-N",402509,NA,"PDBC27876","716536","Present",NA,NA
+"27877","6-Acetyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one",NA,"CC(=O)N1CN2C(CCC2=O)C3=CC=CC=C31","YNYVLIDIBWYRMS-UHFFFAOYSA-N",389190,NA,"PDBC27877","684874","Present",NA,NA
+"27878","6-Acetyl-1,5-dimethyl-3-oxo-7-phenyl-2-oxabicyclo[3.2.0]heptane-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-1,5-dimethyl-3-oxo-7-phenyl-2-oxabicyclo[3.2.0]heptane-4-carbonitrile",NA,"CC(=O)C1C(C2(C1(C(C(=O)O2)C#N)C)C)C3=CC=CC=C3","CLGNSQRSVORXGC-UHFFFAOYSA-N",362315,NA,"PDBC27878","625951","Present",NA,NA
+"27879","6-Acetyl-1,6a-dimethyl-2-phenyl-1,6a-dihydropyrrolo[3,2-c]pyrazol-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-1,6a-dimethyl-2-phenyl-1,6a-dihydropyrrolo[3,2-c]pyrazol-3(2H)-one",NA,"CC(=O)C1=CN=C2C1(N(N(C2=O)C3=CC=CC=C3)C)C","GGANKQWNJSQFLS-UHFFFAOYSA-N",390258,NA,"PDBC27879","687550","Present",NA,NA
+"27880","6-Acetyl-1-methyl-2(1H)-quinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-1-methyl-2(1H)-quinolinone",NA,"CC(=O)C1=CC2=C(C=C1)N(C(=O)C=C2)C","IZFCZFXYGUZTEU-UHFFFAOYSA-N",370175,NA,"PDBC27880","642919","Present",NA,NA
+"27881","6-Acetyl-3-(2-dimethylaminoethyl)-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-3-(2-dimethylaminoethyl)-1,3-benzoxazol-2-one",NA,"CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCN(C)C","XMIMZNUTJWHFMT-UHFFFAOYSA-N",391456,NA,"PDBC27881","690660","Present",NA,NA
+"27882","6-Acetyl-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-3-[2-(1-piperidyl)ethyl]-1,3-benzoxazol-2-one",NA,"CC(=O)C1=CC2=C(C=C1)N(C(=O)O2)CCN3CCCCC3","CWYHKKKPGVPDLX-UHFFFAOYSA-N",391459,NA,"PDBC27882","690664","Present",NA,NA
+"27883","6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2,4-dichlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2,4-dichloro-, 6-acetyl-1,2,3,4-tetrahydro...",NA,"CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl","MSLAPUVHAQOMIR-UHFFFAOYSA-N",383092,NA,"PDBC27883","671136","Present",NA,NA
+"27884","6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate",NA,"CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CO5","CATFQSLDJQMAHG-UHFFFAOYSA-N",383094,NA,"PDBC27884","671138","Present",NA,NA
+"27885","6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-thiophenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) thiophene-2-carboxylate",NA,"CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CS5","MNHVDDXXLJPKJY-UHFFFAOYSA-N",383095,NA,"PDBC27885","671139","Present",NA,NA
+"27886","6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 3,4,5-trimethoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate",NA,"CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC","BUVBZSKYBAXWIN-UHFFFAOYSA-N",383093,NA,"PDBC27886","671137","Present",NA,NA
+"27887","6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate",NA,"CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5","USYGJPYRCPTZKE-UHFFFAOYSA-N",383090,NA,"PDBC27887","671134","Present",NA,NA
+"27888","6-Acetyl-7,10-dimethoxy-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-7,10-dimethoxy-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one",NA,"CC(=O)N1CN2C(CCC2=O)C3=C(C=CC(=C31)OC)OC","KKWJEQOVRWMXQG-UHFFFAOYSA-N",389191,NA,"PDBC27888","684875","Present",NA,NA
+"27889","6-Acetyl-8-methoxy-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-8-methoxy-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one",NA,"CC(=O)N1CN2C(CCC2=O)C3=C1C=C(C=C3)OC","MMSYMCFYHPQGJI-UHFFFAOYSA-N",389192,NA,"PDBC27889","684876","Present",NA,NA
+"27890","6-Acetyl-9-methyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-9-methyl-1,2,5,10b-tetrahydropyrrolo[1,2-c]quinazolin-3-one",NA,"CC1=CC2=C(C=C1)N(CN3C2CCC3=O)C(=O)C","OXTZCDNKGRINEB-UHFFFAOYSA-N",389193,NA,"PDBC27890","684877","Present",NA,NA
+"27891","6-Admpb",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Admpb",NA,"CC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=C(C=C4)OC","NCWRHYSPTPPIQP-UHFFFAOYSA-N",1784,NA,"PDBC27891","661180","Present",NA,NA
+"27892","6-Alkoxy-4-anilinoquinazoline 8b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW680191X",NA,"CS(=O)(=O)CCNCCCCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C","WLLKPDBSPXZCTG-UHFFFAOYSA-N",5329489,NA,"PDBC27892","756306","Present",NA,NA
+"27893","6-Allyl-4-acetoxy-3',4',8-trimethoxyflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Allyl-4-acetoxy-3',4',8-trimethoxy flavan",NA,"CC(=O)OC1CC(OC2=C1C=C(C=C2OC)CC=C)C3=CC(=C(C=C3)OC)OC","JHMHABZXTWTAND-UHFFFAOYSA-N",369616,NA,"PDBC27893","641527","Present",NA,NA
+"27894","6-Allyl-4-hydroxy-3',4',8-trimethoxyflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Allyl-4-hydroxy-3',4',8-trimethoxy flavan",NA,"COC1=C(C=C(C=C1)C2CC(C3=C(O2)C(=CC(=C3)CC=C)OC)O)OC","GJEVPMOJBYGEEQ-UHFFFAOYSA-N",369609,NA,"PDBC27894","641519","Present",NA,NA
+"27895","6-Allyl-4-methoxy-3',4',8-trimethoxyflavan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Allyl-4-methoxy-3',4',8-trimethoxy flavan",NA,"COC1CC(OC2=C1C=C(C=C2OC)CC=C)C3=CC(=C(C=C3)OC)OC","FDEXWXVTMQWPDU-UHFFFAOYSA-N",369612,NA,"PDBC27895","641523","Present",NA,NA
+"27896","6-Allyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Allyl-5H-indeno(1,2-c)isoquinoline-5,11(6H)-dione",NA,"C=CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","LKYGYLCYRUQUNK-UHFFFAOYSA-N",334476,NA,"PDBC27896","339707","Present",NA,NA
+"27897","6-Allyl-9-phenyl-1,6,9a-triaza-9aH-benzo[cd]azulene-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Phenyl-9-prop-2-enyl-1,2,9-triazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7,11-pentaen-10-one",NA,"C=CCN1C2=CC=CC3=C2N(C(=CC1=O)C4=CC=CC=C4)N=C3","GLICCEHWVDLZHV-UHFFFAOYSA-N",398156,NA,"PDBC27897","707688","Present",NA,NA
+"27898","6-Amino-1,3-dibenzyl-2-iminopyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2z)-6-Amino-1,3-dibenzyl-2-imino-2,3-dihydropyrimidin-4(1h)-one",NA,"C1=CC=C(C=C1)CN2C(=CC(=O)N(C2=N)CC3=CC=CC=C3)N","XXTTYBFAMDJSTQ-UHFFFAOYSA-N",250781,NA,"PDBC27898","70555","Present",NA,NA
+"27899","6-Amino-1,3-diphenyl-2-sulfanylidenepyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-1,3-diphenyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one",NA,"C1=CC=C(C=C1)N2C(=CC(=O)N(C2=S)C3=CC=CC=C3)N","SPUQKIUIHPLVFW-UHFFFAOYSA-N",371174,NA,"PDBC27899","645206","Present",NA,NA
+"27900","6-Amino-1,6-dihydro-4H-cyclopenta[c]thiophe n-4-one hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-amino-1,3-di-2-thienyl-5,6-dihydro-4H-cyclopenta[c]thi...",NA,"C1C(C2=C(SC(=C2C1=O)C3=CC=CS3)C4=CC=CS4)N.Cl","NVJXXACQLRHUQC-UHFFFAOYSA-N",24205943,NA,"PDBC27900","737375","Present",NA,NA
+"27901","6-Amino-1-(4-chlorophenyl)-4-morpholino-pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-1-(4-chlorophenyl)-4-morpholino-pyrimidin-2-one",NA,"C1COCCN1C2=NC(=O)N(C(=C2)N)C3=CC=C(C=C3)Cl","XSFRRUUGOKUGDQ-UHFFFAOYSA-N",395692,NA,"PDBC27901","700476","Present",NA,NA
+"27902","6-Amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-1-[2-(dibutylamino)quinolin-4-yl]hexan-1-one;hydrobromide",NA,"CCCCN(CCCC)C1=NC2=CC=CC=C2C(=C1)C(=O)CCCCCN.Br","KBOQHDZVPWDUKU-UHFFFAOYSA-N",54611938,NA,"PDBC27902","25687","Present",NA,NA
+"27903","6-Amino-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5H-triazolo[4,5-c]pyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-1-[3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-yl]-5H-triazolo[4,5-c]pyridin-4-one",NA,"C1=CC=C(C=C1)COCC2C(C(C(O2)N3C4=C(C(=O)NC(=C4)N)N=N3)OCC5=CC=CC=C5)OCC6=CC=CC=C6","UMGLHFOTFBHCSA-UHFFFAOYSA-N",135426767,NA,"PDBC27903","717101","Present",NA,NA
+"27904","6-Amino-1-benzyl-4-(1-pyrrolidinyl)-2(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-1-benzyl-4-(1-pyrrolidinyl)-2(1H)-pyrimidinone",NA,"C1CCN(C1)C2=NC(=O)N(C(=C2)N)CC3=CC=CC=C3","IADMEIRLZDRXQB-UHFFFAOYSA-N",386643,NA,"PDBC27904","679100","Present",NA,NA
+"27905","6-Amino-1-chloro-4-methyl-9H-thioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-1-chloro-4-methyl-9H-thioxanthen-9-one",NA,"CC1=C2C(=C(C=C1)Cl)C(=O)C3=C(S2)C=C(C=C3)N","BULFJEMLUBIIJI-UHFFFAOYSA-N",391249,NA,"PDBC27905","690146","Present",NA,NA
+"27906","6-Amino-1-phenyl-4-pyrrolidin-1-ylpyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-1-phenyl-4-(pyrrolidin-1-yl)pyrimidin-2(1h)-one",NA,"C1CCN(C1)C2=NC(=O)N(C(=C2)N)C3=CC=CC=C3","MDLBRNIACYHTRP-UHFFFAOYSA-N",386642,NA,"PDBC27906","679099","Present",NA,NA
+"27907","6-Amino-13-(4-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-13-(4-chlorophenyl)-11-oxo-3,4,7,8,10-pentazatricyclo[7.4.0.02,7]trideca-1,3,5,8,12-pentaene-5,12-dicarbonitrile",NA,"C1=CC(=CC=C1C2=C(C(=O)NC3=NN4C(=C(N=NC4=C23)C#N)N)C#N)Cl","NTJFZBYVIMRRHR-UHFFFAOYSA-N",135426591,NA,"PDBC27907","701022","Present",NA,NA
+"27908","6-Amino-2-((2-hydroxyethyl)(methyl)amino)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-((2-hydroxyethyl)(methyl)amino)-4-pyrimidinol",NA,"CN(CCO)C1=NC(=CC(=O)N1)N","OHTCZUMRAMZRFE-UHFFFAOYSA-N",135408994,NA,"PDBC27908","652578","Present",NA,NA
+"27909","6-Amino-2-((4-butylphenyl)amino)-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-126469",NA,"CCCCC1=CC=C(C=C1)NC2=NC(=C3C(=N2)N=CN3)N","JSFFGFGRNFFOGA-UHFFFAOYSA-N",127307,NA,"PDBC27909","685806","Present",NA,NA
+"27910","6-Amino-2-((6-amino-4-hydroxy-3,4,5,6-tetrahydro-2-pyridinyl)thio)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-((6-amino-4-hydroxy-3,4,5,6-tetrahydro-2-pyridinyl)thio)-4-pyrimidinol",NA,"C1C(CC(=NC1N)SC2=NC(=CC(=O)N2)N)O","DWTKYFQMQZOWQM-UHFFFAOYSA-N",135429962,NA,"PDBC27910","627519","Present",NA,NA
+"27911","6-Amino-2-(3-chlorophenyl)quinolin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-(3-chlorophenyl)quinolin-4-ol",NA,"C1=CC(=CC(=C1)Cl)C2=CC(=O)C3=C(N2)C=CC(=C3)N","KZBZGOGDWGDLMZ-UHFFFAOYSA-N",377397,NA,"PDBC27911","658840","Present",NA,NA
+"27912","6-Amino-2-(3-methoxyphenyl)quinolin-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-(3-methoxyphenyl)quinolin-4-ol",NA,"COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)N","KAMPMGHHVYJNFF-UHFFFAOYSA-N",377396,NA,"PDBC27912","658839","Present",NA,NA
+"27913","6-Amino-2-[(4-methylphenyl)sulfonylcarbamoylamino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-(p-tolylsulfonylcarbamoylamino)hexanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCCCN)C(=O)O","DAXFXAQTQMWQRH-UHFFFAOYSA-N",396492,NA,"PDBC27913","702676","Present",NA,NA
+"27914","6-Amino-2-[3-(trifluoromethyl)phenyl]quinolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-[3-(trifluoromethyl)phenyl]quinolin-4-ol",NA,"C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=O)C3=C(N2)C=CC(=C3)N","ASAPATXEZLAULW-UHFFFAOYSA-N",378308,NA,"PDBC27914","660312","Present",NA,NA
+"27915","6-Amino-2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-[[2-(tert-butoxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)O","RQBPSQWJWHWRIH-UHFFFAOYSA-N",381800,NA,"PDBC27915","668878","Present",NA,NA
+"27916","6-Amino-2-[[2-amino-3-(5-hydroxy-2-pyridyl)propanoyl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-[[2-amino-3-(5-hydroxy-2-pyridyl)propanoyl]amino]hexanoic acid",NA,"C1=CC(=NC=C1O)CC(C(=O)NC(CCCCN)C(=O)O)N","FUVRDGOCEMYJJJ-UHFFFAOYSA-N",385345,NA,"PDBC27916","676463","Present",NA,NA
+"27917","6-Amino-2-mercapto-5-phenyl-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-mercapto-5-phenyl-N-(1,3-thiazol-2-yl)-4-pyrimidinecarboxamide",NA,"C1=CC=C(C=C1)C2=C(NC(=S)N=C2N)C(=O)NC3=NC=CS3","PTYLERCAUFDJHZ-UHFFFAOYSA-N",3004118,NA,"PDBC27917","630288","Present",NA,NA
+"27918","6-Amino-2-mercapto-N,5-bis(2-methylphenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-mercapto-N,5-bis(2-methylphenyl)-4-pyrimidinecarboxamide",NA,"CC1=CC=CC=C1C2=C(NC(=S)N=C2N)C(=O)NC3=CC=CC=C3C","PRVJTEBVNBFCRL-UHFFFAOYSA-N",3004145,NA,"PDBC27918","631851","Present",NA,NA
+"27919","6-Amino-2-methyl-5-(1-piperazinyl)-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-methyl-5-(1-piperazinyl)-4-pyrimidinol",NA,"CC1=NC(=C(C(=O)N1)N2CCNCC2)N","BMSARQMIZSIXLI-UHFFFAOYSA-N",135406383,NA,"PDBC27919","673108","Present",NA,NA
+"27920","6-Amino-2-methyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-methyl-5-(4-nitropiperazin-1-yl)pyrimidin-4-ol",NA,"CC1=NC(=C(C(=O)N1)N2CCN(CC2)[N+](=O)[O-])N","STAVTTWTUCEAMZ-UHFFFAOYSA-N",135470069,NA,"PDBC27920","673116","Present",NA,NA
+"27921","6-Amino-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-oxo-2,3-dihydropyrimidine-4-carboxylic acid",NA,"C1=C(NC(=O)N=C1N)C(=O)O","PDTPNIBJXVWGOE-UHFFFAOYSA-N",241841,NA,"PDBC27921","49714","Present",NA,NA
+"27922","6-Amino-2-piperdine-1-yl-3H,4'-pyridi ne)-3',5'-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6- Amino-2-piperdine-1-yl-3H,3'H-spiro(benzothiazol-2,4'...",NA,"C1CCN(CC1)C2=NC(=C(C3(C2C#N)NC4=CC=CC=C4S3)C#N)N","WTFJKUOGCYDHNJ-UHFFFAOYSA-N",24203809,NA,"PDBC27922","729614","Present",NA,NA
+"27923","6-Amino-2-thioxo trimethylene[c]thiopyrano[2,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-thioxo trimethylene[c]thiopyrano[2,3-d]pyrimidine",NA,"C1CC2=C(C1)C(=S)SC3=NC=NC(=C23)N","XFXSHDSPYNDXPQ-UHFFFAOYSA-N",5473085,NA,"PDBC27923","723637","Present",NA,NA
+"27924","6-Amino-3-chloromethyl-1-((5-(((benzofuran-2-yl)-carbonyl)amino)indol-2-ylcarbonyl)indoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-3-chloromethyl-1-((5-(((benzofuran-2-yl)-carbony...",NA,"C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C=C2)N)CCl","DEBRBJYFWAWRNH-UHFFFAOYSA-N",394235,NA,"PDBC27924","697539","Present",NA,NA
+"27925","6-Amino-3-imino-4-mercapto-N-phenyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-3-imino-4-mercapto-N-phenyl-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide",NA,"C1=CC=C(C=C1)NC(=O)C2=C(NC(=S)C3=C2NN=C3N)N","YVBSMVBBSHVSDF-UHFFFAOYSA-N",135422757,NA,"PDBC27925","692009","Present",NA,NA
+"27926","6-Amino-3-imino-5-(4-methylphenyl)-4-oxo-2,3,4,5-tetrahydro-1H-pyrazolo[4,3-c]pyridine-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-3-imino-4-oxo-5-(p-tolyl)-1,2-dihydropyrazolo[4,3-c]pyridine-7-carbonitrile",NA,"CC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C(=NN3)N)C#N)N","WRCQTYRQPVWZCA-UHFFFAOYSA-N",392165,NA,"PDBC27926","692045","Present",NA,NA
+"27927","6-Amino-3-methyl-5-nitroso-4(3H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-3-methyl-5-nitroso-4(3H)-pyrimidinone",NA,"CN1C=NC(=C(C1=O)N=O)N","RPGCFSCLHOODSU-UHFFFAOYSA-N",378839,NA,"PDBC27927","662156","Present",NA,NA
+"27928","6-Amino-4-(2-methoxyphenyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-amino-4-(2-methoxyphenyl)-3-methyl-2,4-dihydropyrano[2...",NA,"CC1=C2C(C(=C(OC2=NN1)N)C#N)C3=CC=CC=C3OC","VBZJCCSKBXQPGX-UHFFFAOYSA-N",600446,NA,"PDBC27928","737798","Present",NA,NA
+"27929","6-Amino-4-(3-chlorophenyl)-2-thioxo-1,2-dihydro-3,5-pyridinedicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3-chlorophenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile",NA,"C1=CC(=CC(=C1)Cl)C2=C(C(=S)NC(=C2C#N)N)C#N","RCBLMWWXZLYFGM-UHFFFAOYSA-N",794577,NA,"PDBC27929","712235","Present",NA,NA
+"27930","6-Amino-4-(4-chlorophenyl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-4-(4-chlorophenyl)-5-(5,6-dimethyl-1H-benzimidazol-2-yl)pyridine-3-carbonitrile",NA,"CC1=CC2=C(C=C1C)N=C(N2)C3=C(C(=CN=C3N)C#N)C4=CC=C(C=C4)Cl","UKWSZFZBKUECHR-UHFFFAOYSA-N",54576527,NA,"PDBC27930","752307","Present",NA,NA
+"27931","6-Amino-4-(4-methylphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-4-(4-methylphenyl)-2-thioxo-1,2-dihydropyridine-3,5-dicarbonitrile",NA,"CC1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N","IWLCKOYPEPDLBD-UHFFFAOYSA-N",4153427,NA,"PDBC27931","712234","Present",NA,NA
+"27932","6-Amino-4-(5-(4-(benzo[d]oxazol-2-yl)phenyl)thiophen-2-yl)-1,3,4-tetrahydro-2-thioxopyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-4-(5-(4-(benzo[d]oxazol-2-yl)phenyl)thiophen-2-y...",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C4=CC=C(S4)C5C(=C(NC(=S)N5)N)C#N","BQPDMSWZTQIZTM-UHFFFAOYSA-N",24203996,NA,"PDBC27932","730317","Present",NA,NA
+"27933","6-Amino-4-(5-(4-(benzo[d]thiazol-2-yl)phenyl)furan-2-yl)-1,3,4-tetrahydro-2-thioxopyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-4-(5-(4-(benzo[d]thiazol-2-yl)phenyl)furan-2-yl)...",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)C4=CC=C(O4)C5C(=C(NC(=S)N5)N)C#N","GFQYQTGLQDQKDY-UHFFFAOYSA-N",24203997,NA,"PDBC27933","730318","Present",NA,NA
+"27934","6-Amino-4-morpholino-1-phenyl-pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-4-morpholino-1-phenyl-pyrimidin-2-one",NA,"C1COCCN1C2=NC(=O)N(C(=C2)N)C3=CC=CC=C3","LIAWRHHTBKXCMW-UHFFFAOYSA-N",395693,NA,"PDBC27934","700477","Present",NA,NA
+"27935","6-Amino-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5,6-dihydro-5,11-diketo-11H-indeno[1,2-c]isoquin...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)N","LNAMGLIEPZUMDS-UHFFFAOYSA-N",16221146,NA,"PDBC27935","737776","Present",NA,NA
+"27936","6-Amino-5,6-dihydrocyclopenta[c]thiophen-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5,6-dihydrocyclopenta[c]thiophen-4-one hydrochloride",NA,"C1C(C2=CSC=C2C1=O)N.Cl","ZTOOYUNAZBRXAL-UHFFFAOYSA-N",396928,NA,"PDBC27936","704113","Present",NA,NA
+"27937","6-Amino-5,8-dimethyl-9H-carbazol-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCRIS 8648",NA,"CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)O)C)N","ATEYWSRWQMDQJD-UHFFFAOYSA-N",148155,NA,"PDBC27937","652570","Present",NA,NA
+"27938","6-Amino-5,8-dimethyl-9H-carbazol-3-yl ethyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5,8-dimethyl-9H-carbazol-3-yl ethyl carbonate",NA,"CCOC(=O)OC1=CC2=C(C=C1)NC3=C2C(=C(C=C3C)N)C","RRVZCEZDWWGADN-UHFFFAOYSA-N",374603,NA,"PDBC27938","652571","Present",NA,NA
+"27939","6-Amino-5-(2-diethylaminoethyl)-7-(1-methyl-1H-benzo[d]imida zol-2-yl)-5H-pyrrolo[2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-amino-5-(2-diethylaminoethyl)-7-(1-methyl-1H-benzo[d]i...",NA,"CCN(CC)CCN1C(=C(C2=NC(=C(N=C21)C#N)C#N)C3=NC4=CC=CC=C4N3C)N","KNYYSUUZGFTGSY-UHFFFAOYSA-N",1179227,NA,"PDBC27939","730034","Present",NA,NA
+"27940","6-Amino-5-(3-chlorobenzyl)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-(3-chlorobenzyl)-2,4-pyrimidinediol",NA,"C1=CC(=CC(=C1)Cl)CC2=C(NC(=O)NC2=O)N","ZTDMRDXCPKZDRK-UHFFFAOYSA-N",388632,NA,"PDBC27940","683644","Present",NA,NA
+"27941","6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-(4-(aminomethyl)-1-piperazinyl)-2-methyl-4-pyrimidinol",NA,"CC1=NC(=C(C(=O)N1)N2CCN(CC2)CN)N","RZKWDPGBCLTDDG-UHFFFAOYSA-N",135450418,NA,"PDBC27941","673113","Present",NA,NA
+"27942","6-Amino-5-(4-benzyl-1-piperazinyl)-2-methyl-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-(4-benzyl-1-piperazinyl)-2-methyl-4-pyrimidinol",NA,"CC1=NC(=C(C(=O)N1)N2CCN(CC2)CC3=CC=CC=C3)N","SOAJDORECBGYCN-UHFFFAOYSA-N",135489786,NA,"PDBC27942","673109","Present",NA,NA
+"27943","6-Amino-5-(4-chlorobenzyl)-7-phenylsulfonyl-5H-pyrrolo[2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-amino-5-(4-chlorobenzyl)-7-phenylsulfonyl-5H-pyrrolo[2...",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC(=C(N=C23)C#N)C#N)CC4=CC=C(C=C4)Cl)N","UEHAXFDZLXGLTA-UHFFFAOYSA-N",1426067,NA,"PDBC27943","730041","Present",NA,NA
+"27944","6-Amino-5-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-2-mercapto-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-(4-chlorophenyl)-N-(3,4-dichlorophenyl)-2-mercapto-4-pyrimidinecarboxamide",NA,"C1=CC(=CC=C1C2=C(NC(=S)N=C2N)C(=O)NC3=CC(=C(C=C3)Cl)Cl)Cl","LTTYZUGVBVLZBL-UHFFFAOYSA-N",3004120,NA,"PDBC27944","630294","Present",NA,NA
+"27945","6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-(4-cyano-1-piperazinyl)-2-methyl-4-pyrimidinol",NA,"CC1=NC(=C(C(=O)N1)N2CCN(CC2)C#N)N","FSYADPJPWSPUSD-UHFFFAOYSA-N",135444495,NA,"PDBC27945","673110","Present",NA,NA
+"27946","6-Amino-5-(4-fluorobenzyl)-7-(1-methyl-1H-benzo[d]imidazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-amino-5-(4-fluorobenzyl)-7-(1-methyl-1H-benzo[d]imidaz...",NA,"CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC5=CC=C(C=C5)F)N","GZRSMRFJRAULFS-UHFFFAOYSA-N",1179229,NA,"PDBC27946","730035","Present",NA,NA
+"27947","6-Amino-5-(4-methoxybenzyl)-2,4-pyrimidinediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-(4-methoxybenzyl)-2,4-pyrimidinediol",NA,"COC1=CC=C(C=C1)CC2=C(NC(=O)NC2=O)N","JKIJOLSHTVQRPO-UHFFFAOYSA-N",388637,NA,"PDBC27947","683649","Present",NA,NA
+"27948","6-Amino-5-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile",NA,"CC1=CC2=C(C=C1C)N=C(N2)C3=C(C(=CN=C3N)C#N)C4=CC=C(C=C4)OC","UPAXUHDNVVDPIA-UHFFFAOYSA-N",54576528,NA,"PDBC27948","752308","Present",NA,NA
+"27949","6-Amino-5-[(3-chlorophenyl)amino]-7-(1-methyl-1H-1,3-benzodiazol-2-yl)-5H-pyrrolo[2,3-b]pyrazine-2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-amino-5-(3-chloroanilino)-7-(1-methyl-1H-benzo[d]imida...",NA,"CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)NC5=CC(=CC=C5)Cl)N","HTZYYVZFVMGFDP-UHFFFAOYSA-N",1179233,NA,"PDBC27949","730038","Present",NA,NA
+"27950","6-Amino-5-[(4-chlorophenyl)methyl]-1-methyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-[(4-chlorophenyl)methyl]-1-methyl-pyrimidine-2,4-dione",NA,"CN1C(=C(C(=O)NC1=O)CC2=CC=C(C=C2)Cl)N","CTPHAFGMNUKEQS-UHFFFAOYSA-N",387682,NA,"PDBC27950","681708","Present",NA,NA
+"27951","6-Amino-5-[(4-chlorophenyl)methyl]-7-(1-methylbenzimidazol-2-yl)pyrrolo[2,3-b] pyrazine-2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-amino-5-(4-chlorobenzyl)-7-(1-methyl-1H-benzo[d]imidaz...",NA,"CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC5=CC=C(C=C5)Cl)N","YHTIVQTYBRBYCK-UHFFFAOYSA-N",1179230,NA,"PDBC27951","730036","Present",NA,NA
+"27952","6-Amino-5-[(4-methoxyphenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-[(4-methoxyphenyl)methyl]-3-methyl-1H-pyrimidine-2,4-dione",NA,"CN1C(=O)C(=C(NC1=O)N)CC2=CC=C(C=C2)OC","HBYQWINTEWDENS-UHFFFAOYSA-N",388631,NA,"PDBC27952","683643","Present",NA,NA
+"27953","6-Amino-5-[5-(dimethylamino)tetrazol-1-yl]-1,3-dimethylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-[5-(dimethylamino)-1H-tetrazol-1-yl]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione",NA,"CN1C(=C(C(=O)N(C1=O)C)N2C(=NN=N2)N(C)C)N","JHRJLDZOJRFSNS-UHFFFAOYSA-N",370132,NA,"PDBC27953","642722","Present",NA,NA
+"27954","6-Amino-5-chloroacetyl-2-methoxy-3-methylpyrimidin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-5-(chloroacetyl)-2-methoxy-3-methylpyrimidin-4(3H)-one",NA,"CN1C(=O)C(=C(N=C1OC)N)C(=O)CCl","ONBMOHBVZQMOFB-UHFFFAOYSA-N",360600,NA,"PDBC27954","622775","Present",NA,NA
+"27955","6-Amino-7-(4-chlorophenylsulfonyl)-5-(4-methoxybenzyl)-5H-py rrolo[2,3-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-amino-7-(4-chlorophenylsulfonyl)-5-(4-methoxybenzyl)-5...",NA,"COC1=CC=C(C=C1)CN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)N","HTJVMRFLWBUXTM-UHFFFAOYSA-N",1640083,NA,"PDBC27955","730045","Present",NA,NA
+"27956","6-Amino-7-bromo-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Quinolinedione, 6-amino-7-bromo-",NA,"C1=CC2=C(C(=O)C(=C(C2=O)N)Br)N=C1","XZBBOHUCBTXJQY-UHFFFAOYSA-N",266923,NA,"PDBC27956","105808","Present",NA,NA
+"27957","6-Amino-8,9-dimethoxyisoindolo[2,1-a]quinoxalin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-hydroxy-8,9-dimethoxy-isoindolo[2,1a]quinoxalin-6-(5H)...",NA,"COC1=CC2=CN3C4=C(C=C(C=C4)O)N=C(C3=C2C=C1OC)N","HBWFREGIYNIAPX-UHFFFAOYSA-N",118734075,NA,"PDBC27957","760289","Present",NA,NA
+"27958","6-Amino-9-(propargyloxymethyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-9-(propargyloxymethyl)purine",NA,"C#CCOCN1C=NC2=C(N=CN=C21)N","OOONYYIOODBIQY-UHFFFAOYSA-N",365492,NA,"PDBC27958","633126","Present",NA,NA
+"27959","6-Amino-9-D-psicofuranosylpurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"angustmycin c",NA,"C1=NC(=C2C(=N1)N(C=N2)C3(C(C(C(O3)CO)O)O)CO)N","BNZYRKVSCLSXSJ-UHFFFAOYSA-N",237254,NA,"PDBC27959","53104","Present",NA,NA
+"27960","6-Amino-9-butyl-7H-purin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-9-butyl-7H-purin-8-one",NA,"CCCCN1C2=NC=NC(=C2NC1=O)N","IXCGAPZSWYHFCY-UHFFFAOYSA-N",381115,NA,"PDBC27960","667377","Present",NA,NA
+"27961","6-Amino-9-phenyl-7H-purin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-9-phenyl-7H-purin-8-one",NA,"C1=CC=C(C=C1)N2C3=NC=NC(=C3NC2=O)N","NGUOEGOTXKJOGN-UHFFFAOYSA-N",381528,NA,"PDBC27961","668292","Present",NA,NA
+"27962","6-Amino-N-(3,4-dichlorophenyl)-5-(2-methylphenyl)-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-(3,4-dichlorophenyl)-5-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxamide",NA,"CC1=CC=CC=C1C2=C(NC(=S)NC2N)C(=O)NC3=CC(=C(C=C3)Cl)Cl","RRAHLJDNONCTMR-UHFFFAOYSA-N",3004051,NA,"PDBC27962","624463","Present",NA,NA
+"27963","6-Amino-N-(3,4-dimethylphenyl)-2-mercapto-5-(2-methylphenyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-N-(3,4-dimethylphenyl)-2-mercapto-5-(2-methylphenyl)-4-pyrimidinecarboxamide",NA,"CC1=C(C=C(C=C1)NC(=O)C2=C(C(=NC(=S)N2)N)C3=CC=CC=C3C)C","GAARGUPBXRHTHS-UHFFFAOYSA-N",3004052,NA,"PDBC27963","624467","Present",NA,NA
+"27964","6-Amino-N-(4-chlorophenyl)-3-imino-4-mercapto-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-N-(4-chlorophenyl)-3-imino-4-mercapto-2,3-dihydro-1H-pyrazolo[4,3-c]pyridine-7-carboxamide",NA,"C1=CC(=CC=C1NC(=O)C2=C(NC(=S)C3=C2NN=C3N)N)Cl","DPJSVYOFNGIODT-UHFFFAOYSA-N",135489893,NA,"PDBC27964","692007","Present",NA,NA
+"27965","6-Amino-N-pyridin-2-yl-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(pyridin-2-yl)-6,7,8,9-tetrahydro-5H-cyclohept...",NA,"C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC=N4","CZLZVQFTTGXIRY-UHFFFAOYSA-N",24135362,NA,"PDBC27965","796023","Present",NA,NA
+"27966","6-Amino-N-pyridin-2-yl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-N-(pyridin-2-yl)-5,6,7,8,9,10-hexahydrocycloocta...",NA,"C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC=N4)N","PXZKPQKZNUPXMY-UHFFFAOYSA-N",24053470,NA,"PDBC27966","796024","Present",NA,NA
+"27967","6-Aminonicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-AMINONICOTINAMIDE",NA,"C1=CC(=NC=C1C(=O)N)N","ZLWYEPMDOUQDBW-UHFFFAOYSA-N",9500,NA,"PDBC27967","21206","Present",NA,NA
+"27968","6-Angelylfuranofukinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672987",NA,"CC=C(C)C(=O)OC1C2=C(CC3C1(C(C(CC3)O)C)C)OC=C2C","QSXNOUPYXMWUKT-AHMRPIEISA-N",5468623,NA,"PDBC27968","672987","Present",NA,NA
+"27969","6-Anilino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Anilino-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1C(C2=C(SC(=C2C1=O)Cl)Cl)NC3=CC=CC=C3","ZPAAZSXHNMXTIS-UHFFFAOYSA-N",396939,NA,"PDBC27969","704121","Present",NA,NA
+"27970","6-Anilino-1,3-dimethyl-5-[(E)-phenyliminomethyl]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Anilino-1,3-dimethyl-5-[(E)-phenyliminomethyl]pyrimidine-2,4-dione",NA,"CN1C(=C(C(=O)N(C1=O)C)C=NC2=CC=CC=C2)NC3=CC=CC=C3","RATIBZWAMRLVSZ-UHFFFAOYSA-N",389794,NA,"PDBC27970","686398","Present",NA,NA
+"27971","6-Anilino-4,4-bis(trifluoromethyl)-4,5-dihydro-1,3,5-triazin-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Anilino-4,4-bis(trifluoromethyl)-4,5-dihydro-1,3,5-triazin-2(3H)-one",NA,"C1=CC=C(C=C1)NC2=NC(NC(=O)N2)(C(F)(F)F)C(F)(F)F","UITMZDDRVBXHOH-UHFFFAOYSA-N",382492,NA,"PDBC27971","670098","Present",NA,NA
+"27972","6-Aryl-pyrazolo[3,4-b]pyridine analogue 13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-725317",NA,"C1CC1C(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=C(C=C4)O","VNVKSDCWJDOWNE-UHFFFAOYSA-N",135435011,NA,"PDBC27972","756468","Present",NA,NA
+"27973","6-Aryl-pyrazolo[3,4-b]pyridine analogue 23",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-732881///SB-732881-H",NA,"CN1CCC(CC1)C(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=C(C=C4)O","BSHCILRNXWKQAL-UHFFFAOYSA-N",135435015,NA,"PDBC27973","756469///756470","Present",NA,NA
+"27974","6-Azauridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-azauridine",NA,NA,"C1=NN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","WYXSYVWAUAUWLD-SHUUEZRQSA-N",5901,NA,"PDBC27974",NA,"Absent",NA,NA
+"27975","6-Azido-1,3-dimethyl-5-nitropyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Azido-1,3-methyl-5-nitro-uracil",NA,"CN1C(=C(C(=O)N(C1=O)C)[N+](=O)[O-])N=[N+]=[N-]","QYMDNFRRAIKXFC-UHFFFAOYSA-N",387464,NA,"PDBC27975","681269","Present",NA,NA
+"27976","6-Azido-1,3-dimethylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Azido-1,3-dimethyl-uracil",NA,"CN1C(=CC(=O)N(C1=O)C)N=[N+]=[N-]","MYAKTIILPYPPQP-UHFFFAOYSA-N",387462,NA,"PDBC27976","681268","Present",NA,NA
+"27977","6-Azido-1,3-diphenyl-uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Azido-1,3-diphenyl-uracil",NA,"C1=CC=C(C=C1)N2C(=CC(=O)N(C2=O)C3=CC=CC=C3)N=[N+]=[N-]","NRKBNUPCFKRPMR-UHFFFAOYSA-N",387450,NA,"PDBC27977","681259","Present",NA,NA
+"27978","6-Azido-5-bromo-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Azido-5-bromo-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione",NA,"C1C(C(OC1N2C(C(C(=O)NC2=O)Br)N=[N+]=[N-])CO)O","PANTYWCXSQKMCQ-UHFFFAOYSA-N",371923,NA,"PDBC27978","646574","Present",NA,NA
+"27979","6-Azido-5-bromo-5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Azido-5-bromo-5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione",NA,"CCC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-])Br","XOCGUOPQZHTKCR-UHFFFAOYSA-N",371927,NA,"PDBC27979","646578","Present",NA,NA
+"27980","6-Azido-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Azido-5-chloro-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione",NA,"C1C(C(OC1N2C(C(C(=O)NC2=O)Cl)N=[N+]=[N-])CO)O","VYMPYTLUKYXYBC-UHFFFAOYSA-N",371924,NA,"PDBC27980","646575","Present",NA,NA
+"27981","6-Azido-5-chloro-5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Azido-5-chloro-5-ethyl-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3-diazinane-2,4-dione",NA,"CCC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-])Cl","NAQLHCNWTNZPLH-UHFFFAOYSA-N",371928,NA,"PDBC27981","646579","Present",NA,NA
+"27982","6-Benzo[1,3]dioxol-5-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(1,3-Benzodioxol-5-yl)[1,3]dioxolo[4,5-g]quinolin-8(5h)-one",NA,"C1OC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC5=C(C=C4N3)OCO5","UJFDVDLODPAIOW-UHFFFAOYSA-N",374405,NA,"PDBC27982","652115","Present",NA,NA
+"27983","6-Benzoyl-1,2-dimethoxy-5,6-dihydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline-6a(7H)-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzo[de]-1,3-benzodioxolo[5,6]quinoline-6a- carbonit...",NA,"COC1=C(C2=C3C(=C1)CCN(C3(CC4=CC5=C(C=C42)OCO5)C#N)C(=O)C6=CC=CC=C6)OC","PZQWWOMZHVYCES-UHFFFAOYSA-N",363096,NA,"PDBC27983","627666","Present",NA,NA
+"27984","6-Benzoyl-1-(2,2,4,4-tetraisopropyltetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl)-2,4(1H,3H)-pyrimidinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uridine, 6-benzoyl-3',5'-O,O'-[oxybis[bis(1-methylethyl)...",NA,"CC(C)[Si]1(OCC2C(CC(O2)N3C(=CC(=O)NC3=O)C(=O)C4=CC=CC=C4)O[Si](O1)(C(C)C)C(C)C)C(C)C","OTUWKKUTCWETKI-UHFFFAOYSA-N",387252,NA,"PDBC27984","680833","Present",NA,NA
+"27985","6-Benzoyl-1-methyl-2(1H)-quinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzoyl-1-methyl-2(1H)-quinolinone",NA,"CN1C2=C(C=CC1=O)C=C(C=C2)C(=O)C3=CC=CC=C3","RNQWABMODVGKRW-UHFFFAOYSA-N",370174,NA,"PDBC27985","642918","Present",NA,NA
+"27986","6-Benzoyl-5,6-dihydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline-6a(7H)-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzoyl-5,6-dihydro-4H-benzo[de][1,3]benzodioxolo[5,6-g]quinoline-6a(7H)-carbonitrile",NA,"C1CN(C2(CC3=CC4=C(C=C3C5=CC=CC1=C52)OCO4)C#N)C(=O)C6=CC=CC=C6","NJPGNZVFRXCVMC-UHFFFAOYSA-N",363317,NA,"PDBC27986","628137","Present",NA,NA
+"27987","6-Benzoyl-7-imino-1,7a-dimethyl-2-phenyl-pyrazolo[4,3-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzoyl-7-imino-1,7a-dimethyl-2-phenyl-pyrazolo[4,3-b]pyridin-3-one",NA,"CC12C(=N)C(=CN=C1C(=O)N(N2C)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","YQEVXXRWMUCPGN-UHFFFAOYSA-N",390321,NA,"PDBC27987","687613","Present",NA,NA
+"27988","6-Benzoyl-8,11-trimethyl-benzo[4,5]imidazo[1,2-b]isoquinol ine-7,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzoyl-8,9,11-trimethyl-benzo[4,5]imidazo[1,2-b]isoqu...",NA,"CC1=C(C(=O)C2=C(C3=NC4=CC=CC=C4N3C(=C2C1=O)C)C(=O)C5=CC=CC=C5)C","HVDUMODVNCRERL-UHFFFAOYSA-N",24205253,NA,"PDBC27988","734756","Present",NA,NA
+"27989","6-Benzoyl-9-bromo-6H-indolo[2,3-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzoyl-9-bromo-6H-indolo[2,3-b]quinoxaline",NA,"C1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","NGAUONVFJOAPKE-UHFFFAOYSA-N",394875,NA,"PDBC27989","698966","Present",NA,NA
+"27990","6-Benzoyl-N-(2,6-dimethylphenyl)-5-nitrosooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzoyl-N-(2,6-dimethylphenyl)-5-nitrosooctanamide",NA,"CCC(C(CCCC(=O)NC1=C(C=CC=C1C)C)N=O)C(=O)C2=CC=CC=C2","AZOCGDMSTIZWLC-UHFFFAOYSA-N",362287,NA,"PDBC27990","625898","Present",NA,NA
+"27991","6-Benzyl-1-(3-hydroxypropoxymethyl)-5-methyl-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyl-1-(3-hydroxypropoxymethyl)-5-methyl-pyrimidine-2,4-dione",NA,"CC1=C(N(C(=O)NC1=O)COCCCO)CC2=CC=CC=C2","CUKYRFFQVQQAGC-UHFFFAOYSA-N",392942,NA,"PDBC27991","694153","Present",NA,NA
+"27992","6-Benzyl-1-methyl-4,5-dihydro-[1,2,4]triazolo[3,4-d][1,5]benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyl-1-methyl-5,6-dihydro-4h-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine",NA,"CC1=NN=C2N1C3=CC=CC=C3N(CC2)CC4=CC=CC=C4","ZBPZUVKTTZYIBF-UHFFFAOYSA-N",400096,NA,"PDBC27992","711588","Present",NA,NA
+"27993","6-Benzyl-12-(2-oxiranylmethyl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyl-12-(2-oxiranylmethyl)-12,13-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H)-dione",NA,"C1C(O1)CN2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)N(C5=O)CC8=CC=CC=C8","OFQDNQXFLVBEHM-UHFFFAOYSA-N",363809,NA,"PDBC27993","629023","Present",NA,NA
+"27994","6-Benzyl-13H-dibenzo[d,3,7]oxadiazecine-8,14-diones",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyl-13H-dibenzo[d,h][1,3,7]oxadiazecine-8,14-diones",NA,"C1=CC=C(C=C1)CC2=NC3=CC=CC=C3C(=O)NC4=CC=CC=C4C(=O)O2","YXSMRSMZKUSATF-UHFFFAOYSA-N",404809,NA,"PDBC27994","721327","Present",NA,NA
+"27995","6-Benzyl-2,3-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-5,6-dihydro-2,3-dimethoxy-5,11-oxo-11H-indeno~[...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=CC=CC=C5)OC","VSJHTBREBCSWSI-UHFFFAOYSA-N",402104,NA,"PDBC27995","715841","Present",NA,NA
+"27996","6-Benzyl-2H-1,2,4-triazine-3,5-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4-Triazine-3,5(2H,4H) dithione, 6-benzyl-",NA,"C1=CC=C(C=C1)CC2=NNC(=S)NC2=S","LJIJCOCWWHDFLK-UHFFFAOYSA-N",3004106,NA,"PDBC27996","628343","Present",NA,NA
+"27997","6-Benzyl-3,8,9-trimethoxy-11-methyl-6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyl-3,8,9-trimethoxy-11-methyl-6,11-dihydro-5H-indeno[1,2-c]isoquinolin-5-one",NA,"CC1C2=CC(=C(C=C2C3=C1C4=C(C=C(C=C4)OC)C(=O)N3CC5=CC=CC=C5)OC)OC","JDSKXNOKMRKBKV-UHFFFAOYSA-N",373164,NA,"PDBC27997","649107","Present",NA,NA
+"27998","6-Benzyl-3-[(2,4-dichlorophenoxy)methyl]-8H-[1,2,4]triazolo[4,3-b][1,2,4]triazin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyl-3-[(2,4-dichlorophenoxy)methyl][1,2,4]triazolo[4,3-b][1,2,4]triazin-7(1h)-one",NA,"C1=CC=C(C=C1)CC2=NN3C(=NN=C3NC2=O)COC4=C(C=C(C=C4)Cl)Cl","SERHDQJSBCSRRG-UHFFFAOYSA-N",135426743,NA,"PDBC27998","715671","Present",NA,NA
+"27999","6-Benzyl-3-[[4-[(6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyl-3-[[4-[(6-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methoxy]-2-tert-butyl-5-chlorophenoxy]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"CC(C)(C)C1=CC(=C(C=C1OCC2=NN=C3N2N=C(S3)CC4=CC=CC=C4)Cl)OCC5=NN=C6N5N=C(S6)CC7=CC=CC=C7","LKPCBXHUCMQJSB-UHFFFAOYSA-N",402706,NA,"PDBC27999","716894","Present",NA,NA
+"28000","6-Benzyl-6-azabicyclo[3.2.0]heptan-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyl-6-azabicyclo[3.2.0]heptan-7-one",NA,"C1CC2C(C1)N(C2=O)CC3=CC=CC=C3","BRRVFNWXYMHOGW-UHFFFAOYSA-N",395356,NA,"PDBC28000","699838","Present",NA,NA
+"28001","6-Benzyl-6H-benzo[f]naphtho[2,7,12,13,14-pentaone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyl-6H-benzo[f]naphtho[2,3-b]azocin-5,7,12,13,14-pe...",NA,"C1=CC=C(C=C1)CN2C3=C(C(=O)C4=CC=CC=C4C3=O)C(=O)C(=O)C5=CC=CC=C5C2=O","IETCHWOCXICTOJ-UHFFFAOYSA-N",406018,NA,"PDBC28001","723898","Present",NA,NA
+"28002","6-Benzyl-7-oxo-2,3,5,6-tetrahydro-1H-s-indacene-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyl-7-oxo-2,3,5,6-tetrahydro-1H-s-indacene-4-carboxylic acid",NA,"C1CC2=CC3=C(CC(C3=O)CC4=CC=CC=C4)C(=C2C1)C(=O)O","ZQUIGRQEFUNWEB-UHFFFAOYSA-N",385666,NA,"PDBC28002","677012","Present",NA,NA
+"28003","6-Benzyl-7H-benzo[de]anthracen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633241",NA,"C1=CC=C(C=C1)CC2=C3C4=C(C=CC=C4C5=CC=CC=C5C3=O)C=C2","MTYCTNBXUBUBIL-UHFFFAOYSA-N",365541,NA,"PDBC28003","633241","Present",NA,NA
+"28004","6-Benzylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo...",NA,"C1=CC=C(C=C1)CSC2=NC3=C(C=NN3)C(=N2)N=CC4=CC=CC=C4O","AIMBUYJGBIPREM-UHFFFAOYSA-N",406684,NA,"PDBC28004","724949","Present",NA,NA
+"28005","6-Benzyloxy-2-[3-(4-nitrophenyloxycarbonyl)-3-methyl-triazen e-1-yl]-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-benzyloxy-2-[3-(4-nitrophenyloxycarbonyl)-3-methyl-tri...",NA,"CN(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])N=NC2=NC3=C(C(=N2)OCC4=CC=CC=C4)NC=N3","YUJWQSHNZAQYRG-OCEACIFDSA-N",11408262,NA,"PDBC28005","729970","Present",NA,NA
+"28006","6-Benzyloxy-3-methyl-2-hexen-1-ol pyrophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyloxy-3-methyl-2-hexen-1-ol pyrophosphate",NA,"CC(=CCOP(=O)(O)OP(=O)(O)O)CCCOCC1=CC=CC=C1.N","MNDVOGBNNHJDON-KJEVSKRMSA-N",5473028,NA,"PDBC28006","723488","Present",NA,NA
+"28007","6-Benzyloxy-4-(2'-hydroxybenzulidene amino)pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyloxy-4-(2'-hydroxybenzulidene amino)pyrazolo[3,4-...",NA,"C1=CC=C(C=C1)COC2=NC3=C(C=NN3)C(=N2)N=CC4=CC=CC=C4O","SSMDIVMMLRFEFK-UHFFFAOYSA-N",406696,NA,"PDBC28007","724961","Present",NA,NA
+"28008","6-Benzyloxyhexanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzyloxyhexanal",NA,"C1=CC=C(C=C1)COCCCCCC=O","OKBHPVOFRDHZPQ-UHFFFAOYSA-N",389877,NA,"PDBC28008","686505","Present",NA,NA
+"28009","6-Benzylsulfanyl-5-cyano-2-methyl-4-(5-methylfuran-2-yl)-N-phenyl-1,4-dihydropyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzylsulfanyl-5-cyano-2-methyl-4-(5-methylfuran-2-yl)-N-phenyl-1,4-dihydropyridine-3-carboxamide",NA,"CC1=CC=C(O1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3)C)SCC4=CC=CC=C4)C#N","YZDFJPNQRLDXLG-UHFFFAOYSA-N",398164,NA,"PDBC28009","707696","Present",NA,NA
+"28010","6-Benzylthio-3-cyanomethyl-4-piperidino pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzylthio-3-cyanomethyl-4-piperidino pyrazolo[3,4-d]p...",NA,"C1CCN(CC1)C2=NC(=NC3=NNC(=C32)CC#N)SCC4=CC=CC=C4","QEPWBCWKGBHKRZ-UHFFFAOYSA-N",406444,NA,"PDBC28010","724518","Present",NA,NA
+"28011","6-Benzylthio-4-morpholinopyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzylthio-4-morpholinopyrazolo[3,4-d]pyrimidine",NA,"C1COCCN1C2=NC(=NC3=C2C=NN3)SCC4=CC=CC=C4","STXDNEMQKPFFFE-UHFFFAOYSA-N",405659,NA,"PDBC28011","723118","Present",NA,NA
+"28012","6-Benzylthio-4-piperidinopyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzylthio-4-piperidinopyrazolo[3,4-d]pyrimidine",NA,"C1CCN(CC1)C2=NC(=NC3=C2C=NN3)SCC4=CC=CC=C4","RZLXPPKSNANWEM-UHFFFAOYSA-N",405660,NA,"PDBC28012","723119","Present",NA,NA
+"28013","6-Benzylthioinosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Benzylthioinosine",NA,"C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O","OMJRXFOHHLLDFR-UHFFFAOYSA-N",95263,NA,"PDBC28013","26273","Present",NA,NA
+"28014","6-Bromo-1,2,3-benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-1,2,3-benzodithiazol-1-ium;chloride",NA,"C1=CC2=NS[S+]=C2C=C1Br.[Cl-]","WIXZWNQBGQTFBQ-UHFFFAOYSA-M",359756,NA,"PDBC28014","621198","Present",NA,NA
+"28015","6-Bromo-1,3-benzodioxole-5-carbaldehyde O-acetyloxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-1,3-benzodioxole-5-carbaldehyde O-acetyloxime",NA,"CC(=O)ON=CC1=CC2=C(C=C1Br)OCO2","STGAHKVBVVMSJP-UUILKARUSA-N",9571357,NA,"PDBC28015","648086","Present",NA,NA
+"28016","6-Bromo-1,3-benzodioxole-5-carbaldehyde diethyldithioacetal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[Bis(ethylsulfanyl)methyl]-6-bromo-1,3-benzodioxole",NA,"CCSC(C1=CC2=C(C=C1Br)OCO2)SCC","UKVYWBULAWDRMA-UHFFFAOYSA-N",359194,NA,"PDBC28016","619876","Present",NA,NA
+"28017","6-Bromo-1,3-benzodioxole-5-carbaldehyde hydroxyhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-1,3-benzodioxole-5-carbaldehyde hydroxyhydrazone",NA,"C1OC2=C(O1)C=C(C(=C2)C=NNO)Br","UVYLJWPUBKBCHA-XCVCLJGOSA-N",9571356,NA,"PDBC28017","648085","Present",NA,NA
+"28018","6-Bromo-1,3-benzodioxole-5-carbaldehyde oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH1316387",NA,"C1OC2=C(O1)C=C(C(=C2)C=NO)Br","LDVWAWRHAYQDDA-XCVCLJGOSA-N",9555894,NA,"PDBC28018","647352","Present",NA,NA
+"28019","6-Bromo-1,3-dichloro-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-1,3-dichloro-5,6-dihydro-4h-cyclopenta[c]thiophen-4-one",NA,"C1C(C2=C(SC(=C2C1=O)Cl)Cl)Br","QXJHUKYIQBIUGT-UHFFFAOYSA-N",400227,NA,"PDBC28019","711745","Present",NA,NA
+"28020","6-Bromo-1-(2-hydroxyethoxymethyl)quinazoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Hydroxyethoxymethyl)-6-bromo-2,4(1H,3H)-quinazoline...",NA,"C1=CC2=C(C=C1Br)C(=O)NC(=O)N2COCCO","APRWXNAEOTZEFO-UHFFFAOYSA-N",390552,NA,"PDBC28020","688038","Present",NA,NA
+"28021","6-Bromo-1-(butoxymethyl)quinazoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butyloxymethyl-6-bromo-2,4(1H,3H)-quinazolinedione",NA,"CCCCOCN1C2=C(C=C(C=C2)Br)C(=O)NC1=O","SIRACVGITUAENJ-UHFFFAOYSA-N",390546,NA,"PDBC28021","688034","Present",NA,NA
+"28022","6-Bromo-1H-3,1-benzothiazine-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-1H-3,1-benzothiazine-2,4-dithione",NA,"C1=CC2=C(C=C1Br)C(=S)SC(=S)N2","RVXQTHWTKITLDI-UHFFFAOYSA-N",5472017,NA,"PDBC28022","716026","Present",NA,NA
+"28023","6-Bromo-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,6,8,10,12,14(19),15,17-decaen-20-one",NA,"C1=CC2=C(C3=NC=CC4=C5C=C(C=CC5=NC(=C43)C2=O)Br)N=C1","IEMDEAMHQYKMCM-UHFFFAOYSA-N",387194,NA,"PDBC28023","680735","Present",NA,NA
+"28024","6-Bromo-2,3,7-trichloro-3,7-dimethyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2,3,7-trichloro-3,7-dimethyloct-1-ene",NA,"CC(C)(C(CCC(C)(C(=C)Cl)Cl)Br)Cl","WXODJOCYHUCSME-UHFFFAOYSA-N",382935,NA,"PDBC28024","670812","Present",NA,NA
+"28025","6-Bromo-2-(4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-(4-hydroxyphenyl)benzothiazole",NA,"C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)Br)O","DRVYBNUIXAWRAS-UHFFFAOYSA-N",405000,NA,"PDBC28025","721654","Present",NA,NA
+"28026","6-Bromo-2-(chloromethyl)-3-(4-hydroxy-3-nitrophenyl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-(chloromethyl)-3-(4-hydroxy-3-nitrophenyl)quinazolin-4(3H)-one",NA,"C1=CC(=C(C=C1N2C(=NC3=C(C2=O)C=C(C=C3)Br)CCl)[N+](=O)[O-])O","WKSXUEQCSQGGDB-UHFFFAOYSA-N",369094,NA,"PDBC28026","640651","Present",NA,NA
+"28027","6-Bromo-2-[(4-chlorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-[(4-chlorophenyl)methyl]-4,9-dihydro-3H-pyrido[3,4-b]indol-1-one",NA,"C1CN(C(=O)C2=C1C3=C(N2)C=CC(=C3)Br)CC4=CC=C(C=C4)Cl","KMEXYEFPZGXTTR-UHFFFAOYSA-N",387858,NA,"PDBC28027","682069","Present",NA,NA
+"28028","6-Bromo-2-[(E)-4-bromobut-2-enyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-[(E)-4-bromobut-2-enyl]-1,2,4-triazine-3,5-dione",NA,"C(C=CCBr)N1C(=O)NC(=O)C(=N1)Br","PNIDXIJDDRAAQT-OWOJBTEDSA-N",5468896,NA,"PDBC28028","678986","Present",NA,NA
+"28029","6-Bromo-2-[(E)-4-diethoxyphosphorylbut-2-enyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-[(E)-4-diethoxyphosphorylbut-2-enyl]-1,2,4-triazine-3,5-dione",NA,"CCOP(=O)(CC=CCN1C(=O)NC(=O)C(=N1)Br)OCC","SQUVZOZVQKZYAZ-AATRIKPKSA-N",5468897,NA,"PDBC28029","678987","Present",NA,NA
+"28030","6-Bromo-2-[(E)-4-hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-[(E)-4-hydroxybut-2-enyl]-1,2,4-triazine-3,5-dione",NA,"C(C=CCO)N1C(=O)NC(=O)C(=N1)Br","BWGLTLPOTBBTML-OWOJBTEDSA-N",5468898,NA,"PDBC28030","678988","Present",NA,NA
+"28031","6-Bromo-2-[2-(diethoxyphosphorylmethoxy)ethyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-[2-(diethoxyphosphorylmethoxy)ethyl]-1,2,4-triazine-3,5-dione",NA,"CCOP(=O)(COCCN1C(=O)NC(=O)C(=N1)Br)OCC","RDRMWRHEXKLCQH-UHFFFAOYSA-N",386543,NA,"PDBC28031","678975","Present",NA,NA
+"28032","6-Bromo-2-[2-(diethoxyphosphorylmethoxy)ethyl]-4-prop-2-enyl-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-[2-(diethoxyphosphorylmethoxy)ethyl]-4-prop-2-enyl-1,2,4-triazine-3,5-dione",NA,"CCOP(=O)(COCCN1C(=O)N(C(=O)C(=N1)Br)CC=C)OCC","WTBOXCQBYYRHEP-UHFFFAOYSA-N",386544,NA,"PDBC28032","678976","Present",NA,NA
+"28033","6-Bromo-2-[[1-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-[[1-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C=C(N=N3)CN4C(=O)NC(=O)C(=N4)Br)O","VGYZOKJEVIWJRY-UHFFFAOYSA-N",392017,NA,"PDBC28033","691816","Present",NA,NA
+"28034","6-Bromo-2-[[3-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-[[3-[[3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]triazol-4-yl]methyl]-1,2,4-triazine-3,5-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN3C(=CN=N3)CN4C(=O)NC(=O)C(=N4)Br)O","XDYMWSYAOXFCTE-UHFFFAOYSA-N",392012,NA,"PDBC28034","691811","Present",NA,NA
+"28035","6-Bromo-2-chloro-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-chloro-3-[3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]quinoline",NA,"COC1=CC=C(C=C1)C2=NNC(C2)C3=C(N=C4C=CC(=CC4=C3)Br)Cl","AQBPHVFYERZJRX-UHFFFAOYSA-N",402204,NA,"PDBC28035","716095","Present",NA,NA
+"28036","6-Bromo-2-chloro-3-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-chloro-3-[3-(4-methoxyphenyl)-1-phenyl-4,5-dihydro-1h-pyrazol-5-yl]quinoline",NA,"COC1=CC=C(C=C1)C2=NN(C(C2)C3=C(N=C4C=CC(=CC4=C3)Br)Cl)C5=CC=CC=C5","ZWQTXAVQMKVHJX-UHFFFAOYSA-N",402206,NA,"PDBC28036","716097","Present",NA,NA
+"28037","6-Bromo-2-hydrazino-3-(2-methoxyphenyl)-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-2-hydrazino-3-(2-methoxyphenyl)-4(3H)-quinazolinone",NA,"COC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)Br)N=C2NN","AMQKEVGCGAKCJL-UHFFFAOYSA-N",370858,NA,"PDBC28037","644580","Present",NA,NA
+"28038","6-Bromo-2-mercapto-3-phenylquinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL356720",NA,"C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)NC2=S","VYQBHLQJGGBSDC-UHFFFAOYSA-N",786570,NA,"PDBC28038","639726","Present",NA,NA
+"28039","6-Bromo-2-methoxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Benzocyclohepten-5-one, 6-bromo-6,7,8,9-tetrahydro-2-...",NA,"COC1=CC2=C(C=C1)C(=O)C(CCC2)Br","YVOBLRLPIJTZAI-UHFFFAOYSA-N",325766,NA,"PDBC28039","295084","Present",NA,NA
+"28040","6-Bromo-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[1,2-a]pyrazin-1(2H)-one, 6-bromo-3,4-dihydro-2- ...",NA,"CN1CCN2C(=CC=C2Br)C1=O","MJZAOXAXSKZXMG-UHFFFAOYSA-N",371931,NA,"PDBC28040","646645","Present",NA,NA
+"28041","6-Bromo-3-(1-(4-chlorobenzoyl)-2,2-bis(methylthio)vinyl)-1,3-benzothiazol-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-(1-(4-chlorobenzoyl)-2,2-bis(methylthio)vinyl)-1,3-benzothiazol-2(3H)-one",NA,"CSC(=C(C(=O)C1=CC=C(C=C1)Cl)N2C3=C(C=C(C=C3)Br)SC2=O)SC","VXLWPQJTBDKIGS-UHFFFAOYSA-N",382377,NA,"PDBC28041","669935","Present",NA,NA
+"28042","6-Bromo-3-(4-bromophenyl)-2-sulfanylidene-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-(4-bromophenyl)-2-thioxo-1H-quinazolin-4-one",NA,"C1=CC(=CC=C1N2C(=O)C3=C(C=CC(=C3)Br)NC2=S)Br","BGBVCWGCRPYZTI-UHFFFAOYSA-N",3004236,NA,"PDBC28042","639730","Present",NA,NA
+"28043","6-Bromo-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-8-methoxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-8-methoxy-2h-chromen-2-one",NA,"COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C3=CSC4=NCCN34","OBSGTCWKFUZTBI-UHFFFAOYSA-N",403451,NA,"PDBC28043","718318","Present",NA,NA
+"28044","6-Bromo-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-4(3H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-4(3H)-quinazolinone",NA,"CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=NN=C(S3)C(C)(C)C","XRCGVSDQZHEWQM-UHFFFAOYSA-N",379113,NA,"PDBC28044","663327","Present",NA,NA
+"28045","6-Bromo-3-(bromomethyl)-1,7-trichloro-7-methyl-2-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-bromo-3-(bromomethyl)-1,2,7-trichloro-7-methyl-2-octene",NA,"CC(C)(C(CCC(=C(CCl)Cl)CBr)Br)Cl.CC(C)(C(CCC(=C(CCl)Cl)CBr)Br)Cl","OHZONQTTYQKPTH-UIEDMYEOSA-N",5468035,NA,"PDBC28045","662810","Present",NA,NA
+"28046","6-Bromo-3-(bromomethyl)-2,3,7-trichloro-7-methyloct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HALOMON (RACEMIC)///(-)-6-Bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene///(+)-6-Bromo-3-bromomethyl-2,3,7-trichloro-7-methyl-1-octene",NA,"CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Cl","OVLCIYBVQSJPKK-UHFFFAOYSA-N",3558,NA,"PDBC28046","662825///673501///673502","Present",NA,NA
+"28047","6-Bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-(bromomethyl)-3-chloro-7-methylocta-1,6-diene",NA,"CC(=C(CCC(CBr)(C=C)Cl)Br)C","BUCYUZKBYYLDKN-UHFFFAOYSA-N",4680477,NA,"PDBC28047","702148","Present",NA,NA
+"28048","6-Bromo-3-(bromomethyl)-7-chloro-7-methyl-1-octen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-bromo-3-(bromomethyl)-7-chloro-7-methyl-1-octen-3-ol",NA,"CC(C)(C(CCC(CBr)(C=C)O)Br)Cl","SEFMGOQEBNDFOL-UHFFFAOYSA-N",379043,NA,"PDBC28048","662814","Present",NA,NA
+"28049","6-Bromo-3-(bromomethyl)-7-chloro-7-methyl-2-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-bromo-3-(bromomethyl)-7-chloro-7-methyl-2-octene",NA,"CC=C(CCC(C(C)(C)Cl)Br)CBr.CC=C(CCC(C(C)(C)Cl)Br)CBr","NZQUFWMNUCDSJM-WAFRJPMBSA-N",5468038,NA,"PDBC28049","662811","Present",NA,NA
+"28050","6-Bromo-3-(bromomethyl)-7-methyl-1,7-octadien-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-bromo-3-(bromomethyl)-7-methyl-1,7-octadien-3-ol",NA,"CC(=C)C(CCC(CBr)(C=C)O)Br","MAIAZZXAWULVPY-UHFFFAOYSA-N",379044,NA,"PDBC28050","662815","Present",NA,NA
+"28051","6-Bromo-3-(p-tolyl)-2-thioxo-1H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-(p-tolyl)-2-thioxo-1H-quinazolin-4-one",NA,"CC1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)NC2=S","CJHLUNCJIYPCEK-UHFFFAOYSA-N",2978716,NA,"PDBC28051","639731","Present",NA,NA
+"28052","6-Bromo-3-[3-(6-bromo-4-hydroxy-1-oxo-2H-isoquinolin-3-yl)-1,4-dihydroxynaphthalen-2-yl]isoquinoline-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-bis(6-bromo-1,4-dihydroxyisoquinolin-3-yl)naphthalen...",NA,"C1=CC=C2C(=C1)C(=C(C(=C2O)C3=NC(=O)C4=C(C3=O)C=C(C=C4)Br)C5=C(C6=C(C=CC(=C6)Br)C(=O)N5)O)O","RQCCIMUOBKCYKK-UHFFFAOYSA-N",155816415,NA,"PDBC28052","797537","Present",NA,NA
+"28053","6-Bromo-3-bromomethyl-3,7-dichloro-7-methyl-1-octene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-bromomethyl-3,7-dichloro-7-methyl-1-octene",NA,"CC(C)(C(CCC(CBr)(C=C)Cl)Br)Cl","OGRGXGGBTRUIDS-UHFFFAOYSA-N",1552,NA,"PDBC28053","659554","Present",NA,NA
+"28054","6-Bromo-3-chloro-8-nitroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-chloro-8-nitroquinoline",NA,"C1=C2C=C(C=NC2=C(C=C1Br)[N+](=O)[O-])Cl","ZEINDBBRQIPPSP-UHFFFAOYSA-N",384159,NA,"PDBC28054","673449","Present",NA,NA
+"28055","6-Bromo-3-chloroquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7JX",NA,"C1=C2C=C(C=NC2=C(C=C1Br)O)Cl","IYXNDLZQIYAJTB-UHFFFAOYSA-N",384175,NA,"PDBC28055","673499","Present",NA,NA
+"28056","6-Bromo-3-imidazo[2,1-b][1,3]benzothiazol-2-yl-8-methoxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-imidazo[2,1-b][1,3]benzothiazol-2-yl-8-methoxy-2h-chromen-2-one",NA,"COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C3=CN4C5=CC=CC=C5SC4=N3","LQBMMXPHDIWWHQ-UHFFFAOYSA-N",403448,NA,"PDBC28056","718315","Present",NA,NA
+"28057","6-Bromo-3-imidazo[2,1-b][1,3]thiazol-6-yl-8-methoxychromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-imidazo[2,1-b][1,3]thiazol-6-yl-8-methoxy-2h-chromen-2-one",NA,"COC1=C2C(=CC(=C1)Br)C=C(C(=O)O2)C3=CN4C=CSC4=N3","QTJDFOYDWVQRDR-UHFFFAOYSA-N",403455,NA,"PDBC28057","718322","Present",NA,NA
+"28058","6-Bromo-3-phenyl-1H-quinazoline-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-phenyl-1H-quinazoline-2,4-dithione",NA,"C1=CC=C(C=C1)N2C(=S)C3=C(C=CC(=C3)Br)NC2=S","DQJMUJVIJWGDFF-UHFFFAOYSA-N",3004235,NA,"PDBC28058","639728","Present",NA,NA
+"28059","6-Bromo-3-propyl-2-(propylaminomethyl)quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3-propyl-2-[(propylamino)methyl]quinazolin-4(3H)-one",NA,"CCCNCC1=NC2=C(C=C(C=C2)Br)C(=O)N1CCC","UKKZGNQPCZBMQW-UHFFFAOYSA-N",369092,NA,"PDBC28059","640649","Present",NA,NA
+"28060","6-Bromo-3H-1,2,3-benzodithiazole-2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-3H-1,2,3-benzodithiazole-2-oxide",NA,"C1=CC2=C(C=C1Br)SS(=O)N2","QCAVOIFYYYBGOQ-NSHDSACASA-N",359157,NA,"PDBC28060","619837","Present",NA,NA
+"28061","6-Bromo-4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)-6-quinaz...",NA,"CC1(CC2CC(C1)(CN2C3=NC=NC4=C3C=C(C=C4)Br)C)C","NNEVMBDBIWBOIP-UHFFFAOYSA-N",3252078,NA,"PDBC28061","727848","Present",NA,NA
+"28062","6-Bromo-4-[(3-bromophenyl)amino]-2-(2-thienyl)quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-bromo-4-[(3-bromophenyl)amino]-2-(2-thienyl)quinazoline",NA,"C1=CC(=CC(=C1)Br)NC2=NC(=NC3=C2C=C(C=C3)Br)C4=CC=CS4","PQPNQLSJQSOFEL-UHFFFAOYSA-N",405774,NA,"PDBC28062","723417","Present",NA,NA
+"28063","6-Bromo-4-cinnolinethiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-4-cinnolinethiol",NA,"C1=CC2=C(C=C1Br)C(=S)C=NN2","NRPZTUQPQJQHAV-UHFFFAOYSA-N",3003833,NA,"PDBC28063","114063","Present",NA,NA
+"28064","6-Bromo-4-hydroxy-2-oxo-2H-chromene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-4-hydroxy-2-oxo-2H-chromene-3-carboxylic acid",NA,"C1=CC2=C(C=C1Br)C(=C(C(=O)O2)C(=O)O)O","DITILQJVMZCSFN-UHFFFAOYSA-N",54690690,NA,"PDBC28064","115531","Present",NA,NA
+"28065","6-Bromo-5-chloroimidazo[1,2-a]pyrimidin-7(8H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-5-chloroimidazo[1,2-a]pyrimidin-7(8H)-one",NA,"C1=CN2C(=C(C(=O)NC2=N1)Br)Cl","BASYBNIOWOTQRE-UHFFFAOYSA-N",385098,NA,"PDBC28065","676033","Present",NA,NA
+"28066","6-Bromo-5-methyl-2,4-bis(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-5-methyl-2,4-bis(methylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine",NA,"CC1=C(NC2=C1C(=NC(=N2)SC)SC)Br","RLVRONXBFJPVLA-UHFFFAOYSA-N",357480,NA,"PDBC28066","616509","Present",NA,NA
+"28067","6-Bromo-7-chloro-7-methyl-3-methylideneoct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Bromo-4-chloro-4-methylpentyl)-1,3-butadiene",NA,"CC(C)(C(CCC(=C)C=C)Br)Cl","GVQPIFWKCUAHDM-UHFFFAOYSA-N",377928,NA,"PDBC28067","659551","Present",NA,NA
+"28068","6-Bromo-9-ethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-9-ethyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one",NA,"CCN1CCCN2C3=C(C=C(C=C31)Br)NC2=O","BLOWKDYKISOZPB-UHFFFAOYSA-N",400089,NA,"PDBC28068","711581","Present",NA,NA
+"28069","6-Bromo-9-ethyl-10-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-9-ethyl-10-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one",NA,"CCN1C(CCN2C3=C(C=C(C=C31)Br)NC2=O)C","IGYNOQZOPBHGRO-UHFFFAOYSA-N",400091,NA,"PDBC28069","711583","Present",NA,NA
+"28070","6-Bromo-9-ethyl-11-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-9-ethyl-11-methyl-1,3,9-triazatricyclo[6.4.1.04,13]trideca-4(13),5,7-trien-2-one",NA,"CCN1CC(CN2C3=C(C=C(C=C31)Br)NC2=O)C","OFBMYVVLHPCLAM-UHFFFAOYSA-N",400090,NA,"PDBC28070","711582","Present",NA,NA
+"28071","6-Bromo-9H-pyrimido[4,5-b]indole-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-9H-pyrimido[4,5-b]indole-2,4-diol",NA,"C1=CC2=C(C=C1Br)C3=C(N2)NC(=O)NC3=O","BBHZAGKSNBDZIV-UHFFFAOYSA-N",387236,NA,"PDBC28071","680811","Present",NA,NA
+"28072","6-Bromo-N-butyl-N-ethylquinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-butyl-N4-methyl-6-bromo-4-quinazolinamine 6-bromo-4-q...",NA,"CCCCN(CC)C1=NC=NC2=C1C=C(C=C2)Br","XGTDEUHICAOTRE-UHFFFAOYSA-N",1560413,NA,"PDBC28072","727845","Present",NA,NA
+"28073","6-Bromo-alpha-(diheptylaminomethyl)-9-phenanthrenemethanol hydrochloride, (+/-)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Phenanthrenemethanol, 6-bromo-.alpha.-[(diheptylamino)...",NA,"CCCCCCCN(CCCCCCC)CC(C1=CC2=CC=CC=C2C3=C1C=CC(=C3)Br)O.Cl","RMHGTXQFHHYEST-UHFFFAOYSA-N",45049470,NA,"PDBC28073","13307","Present",NA,NA
+"28074","6-Bromochroman-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromochroman-2-one",NA,"C1CC(=O)OC2=C1C=C(C=C2)Br","FFZQWUVOIMYRKC-UHFFFAOYSA-N",266737,NA,"PDBC28074","105509","Present",NA,NA
+"28075","6-Bromoindole-maleimide-tritylimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Bromo-1H-indol-3-yl)-4-(1-tritylimidazol-4-yl)pyrrole-2,5-dione",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C5=C(C(=O)NC5=O)C6=CNC7=C6C=CC(=C7)Br","VYVOLNRFTXWOHA-UHFFFAOYSA-N",398494,NA,"PDBC28075","708405","Present",NA,NA
+"28076","6-Bromoquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromoquinolin-8-ol",NA,"C1=CC2=CC(=CC(=C2N=C1)O)Br","IMUJTAIQEBHAMT-UHFFFAOYSA-N",384163,NA,"PDBC28076","673454","Present",NA,NA
+"28077","6-Bromosangivamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromosangivamycin",NA,"C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)Br)C(=O)N)N","DMXIHKQKBYZIHM-UHFFFAOYSA-N",270853,NA,"PDBC28077","113943","Present",NA,NA
+"28078","6-Bromotoyocamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromotoyocamycin",NA,"C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)Br)C#N)N","VGLVPHRWFSFJJL-UHFFFAOYSA-N",270861,NA,"PDBC28078","113951","Present",NA,NA
+"28079","6-Butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Butyl-12-methyl-5,6-dihydrobenzimidazo[2,1-a]isoquinolin-12-ium iodide",NA,"CCCCC1CC2=CC=CC=C2C3=[N+](C4=CC=CC=C4N13)C.[I-]","HCWJJPYTOUWGAG-UHFFFAOYSA-M",400886,NA,"PDBC28079","713561","Present",NA,NA
+"28080","6-Butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium-3,10-diol;6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol;diiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium-3,10-diol;6-butyl-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium-3,9-diol;diiodide",NA,"CCCCC1CC2=C(C=CC(=C2)O)C3=[N+](C4=C(N13)C=C(C=C4)O)C.CCCCC1CC2=C(C=CC(=C2)O)C3=[N+]1C4=C(N3C)C=C(C=C4)O.[I-].[I-]","LHZRXZPEXYNYDM-UHFFFAOYSA-N",403475,NA,"PDBC28080","718370","Present",NA,NA
+"28081","6-Butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;6-butyl-3,10-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium;diiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Butyl-3,9-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-12-ium;6-butyl-3,10-dimethoxy-12-methyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinolin-7-ium;diiodide",NA,"CCCCC1CC2=C(C=CC(=C2)OC)C3=[N+](C4=C(N13)C=C(C=C4)OC)C.CCCCC1CC2=C(C=CC(=C2)OC)C3=[N+]1C4=C(N3C)C=C(C=C4)OC.[I-].[I-]","YWUUHIBPUPQWKU-UHFFFAOYSA-L",403469,NA,"PDBC28081","718368","Present",NA,NA
+"28082","6-Butyl-3,9-dimethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline;6-butyl-3,10-dimethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Butyl-3,9-dimethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline;6-butyl-3,10-dimethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline",NA,"CCCCC1CC2=C(C=CC(=C2)OC)C3=NC4=C(N13)C=CC(=C4)OC.CCCCC1CC2=C(C=CC(=C2)OC)C3=NC4=C(N13)C=C(C=C4)OC","QXWCADDBAQYLMP-UHFFFAOYSA-N",403466,NA,"PDBC28082","718367","Present",NA,NA
+"28083","6-Butyl-5,6-dihydrobenzimidazo[2,1-a]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Butyl-5,6-dihydrobenzimidazo[2,1-a]isoquinoline",NA,"CCCCC1CC2=CC=CC=C2C3=NC4=CC=CC=C4N13","NAWHTNIQMXZZIH-UHFFFAOYSA-N",400885,NA,"PDBC28083","713560","Present",NA,NA
+"28084","6-Butyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-3,9-diol;6-butyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-3,10-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Butyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-3,9-diol;6-butyl-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline-3,10-diol",NA,"CCCCC1CC2=C(C=CC(=C2)O)C3=NC4=C(N13)C=CC(=C4)O.CCCCC1CC2=C(C=CC(=C2)O)C3=NC4=C(N13)C=C(C=C4)O","NMWXTADRFPKYDL-UHFFFAOYSA-N",403472,NA,"PDBC28084","718369","Present",NA,NA
+"28085","6-Butyl-7,8-dihydroxy-4-methylchromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Butyl-7,8-dihydroxy-4-methylchromen-2-one",NA,"CCCCC1=CC2=C(C(=C1O)O)OC(=O)C=C2C","CUQYSSSRIMMNDY-UHFFFAOYSA-N",5355695,NA,"PDBC28085","43578","Present",NA,NA
+"28086","6-Butyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Butyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylic acid",NA,"CCCCN1C=C(C(=O)C2=C1C=CC3=C2SC=C3)C(=O)O","NIZULCXXKVADEO-UHFFFAOYSA-N",376957,NA,"PDBC28086","658157","Present",NA,NA
+"28087","6-Butyryl-1-methyl-2(1H)-quinolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Butyryl-1-methyl-2(1H)-quinolinone",NA,"CCCC(=O)C1=CC2=C(C=C1)N(C(=O)C=C2)C","LJDDIPKYAIBOHD-UHFFFAOYSA-N",370176,NA,"PDBC28087","642920","Present",NA,NA
+"28088","6-Chloro-1,1-dioxo-3-[(pyridine-4-carbonylamino)carbamoyl]-4H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1,1-dioxo-3-[(pyridine-4-carbonylamino)carbamoyl]-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",NA,"C1=CN=CC=C1C(=O)NNC(=O)C2=NS(=O)(=O)C3=CC(=C(C=C3N2)Cl)S(=O)(=O)N","VVGDUPPOWPYSED-UHFFFAOYSA-N",457359,NA,"PDBC28088","646808","Present",NA,NA
+"28089","6-Chloro-1,2,3-benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1,2,3-benzodithiazol-1-ium;chloride",NA,"C1=CC2=NS[S+]=C2C=C1Cl.[Cl-]","FLLNQVZOFGKYEW-UHFFFAOYSA-M",359816,NA,"PDBC28089","621376","Present",NA,NA
+"28090","6-Chloro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1,3,4-triphenyl-1H-pyrazolo[3,4-b]quinoline",NA,"C1=CC=C(C=C1)C2=C3C(=NN(C3=NC4=C2C=C(C=C4)Cl)C5=CC=CC=C5)C6=CC=CC=C6","PWFXHROTSVMRFD-UHFFFAOYSA-N",394795,NA,"PDBC28090","698582","Present",NA,NA
+"28091","6-Chloro-1,3-dimethyl-4-phenyl-1H-pyrazolo[3,4-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1,3-dimethyl-4-phenyl-1H-pyrazolo[3,4-b]quinoline",NA,"CC1=NN(C2=NC3=C(C=C(C=C3)Cl)C(=C12)C4=CC=CC=C4)C","CTCNIILHJHZTRD-UHFFFAOYSA-N",395679,NA,"PDBC28091","700463","Present",NA,NA
+"28092","6-Chloro-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,"C1C2C(C3=C(O1)C(=CC=C3)Cl)N(N=C2C4=CC=CC=C4)C5=CC=CC=C5","IVBZICOWGJXCMT-UHFFFAOYSA-N",371901,NA,"PDBC28092","646485","Present",NA,NA
+"28093","6-Chloro-1,4-dimethyl-3-nitro-9H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1,4-dimethyl-3-nitro-9H-carbazole",NA,"CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)Cl)C)[N+](=O)[O-]","CZVGDUOHOZZHFG-UHFFFAOYSA-N",374604,NA,"PDBC28093","652572","Present",NA,NA
+"28094","6-Chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=CC(=C3)Cl","DOYMANWEFQYWJA-UHFFFAOYSA-N",384821,NA,"PDBC28094","675273","Present",NA,NA
+"28095","6-Chloro-1-(2-(2-hydroxy-2-methylpropylamino)ethylamino)-4-methyl-9H-thioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1-(2-(2-hydroxy-2-methylpropylamino)ethylamino)...",NA,"CC1=C2C(=C(C=C1)NCCNCC(C)(C)O)C(=O)C3=C(S2)C=C(C=C3)Cl.Cl","QFVAIFHWNXFWDQ-UHFFFAOYSA-N",24185159,NA,"PDBC28095","38113","Present",NA,NA
+"28096","6-Chloro-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline",NA,"C1CC2=C(C=CC(=C2)Cl)N(C1)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]","MDAGIVJINNGDMN-UHFFFAOYSA-N",380120,NA,"PDBC28096","665522","Present",NA,NA
+"28097","6-Chloro-1-(4-chloro-2-nitro-phenyl)sulfonyl-3,4-dihydro-2H-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1-[(4-chloro-2-nitrophenyl)sulfonyl]-1,2,3,4-tetrahydroquinoline",NA,"C1CC2=C(C=CC(=C2)Cl)N(C1)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]","UZUBWOXRZMDGLN-UHFFFAOYSA-N",380122,NA,"PDBC28097","665524","Present",NA,NA
+"28098","6-Chloro-1-[2-[ethyl(2-hydroxypropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioxanthen-9-one, 6-chloro-1-[2-[ethyl(2-hydroxypropyl)...",NA,"CCN(CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)CC(C)O.Cl","QNIYRMGPLUOPSB-UHFFFAOYSA-N",21144137,NA,"PDBC28098","15794","Present",NA,NA
+"28099","6-Chloro-1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one;hydrochloride",NA,"CCN(CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)CC(C)(C)O.Cl","LRMGFZIKMBRTFB-UHFFFAOYSA-N",24182355,NA,"PDBC28099","15795","Present",NA,NA
+"28100","6-Chloro-1-[3-(dimethylamino)propyl]-1H-pyrazolo[3,4-b]quinoxalin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4-b]quinoxaline-1-propanamine, 3-amino-6-c...",NA,"CN(C)CCCN1C2=NC3=C(C=C(C=C3)Cl)N=C2C(=N1)N","UKBWRQMUGFPSPC-UHFFFAOYSA-N",395034,NA,"PDBC28100","699218","Present",NA,NA
+"28101","6-Chloro-1-[[4-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-3,6,8-trioxabicyclo[3.3.0]oct-2-yl]oxy]benzotriazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1-[[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]benzotriazole",NA,"CC1(OCC(O1)C2C3C(C(O2)ON4C5=C(C=CC(=C5)Cl)N=N4)OC(O3)(C)C)C","OWFNLJGMWFESNL-UHFFFAOYSA-N",330482,NA,"PDBC28101","319112","Present",NA,NA
+"28102","6-Chloro-1-methyl-2-(5-nitro-2-thienyl)-1,2,3,4-tetrahydroquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1-methyl-2-(5-nitro-2-thienyl)-1,2,3,4-tetrahydroquinazolin-4-one",NA,"CN1C(NC(=O)C2=C1C=CC(=C2)Cl)C3=CC=C(S3)[N+](=O)[O-]","HXRSSUHPZPMTAE-UHFFFAOYSA-N",328915,NA,"PDBC28102","309879","Present",NA,NA
+"28103","6-Chloro-1-methyl-3,4-diphenyl-1H-pyrazolo[3,4-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-1-methyl-3,4-diphenyl-1H-pyrazolo[3,4-b]quinoline",NA,"CN1C2=NC3=C(C=C(C=C3)Cl)C(=C2C(=N1)C4=CC=CC=C4)C5=CC=CC=C5","IOCZGUZIDAVUOA-UHFFFAOYSA-N",394794,NA,"PDBC28103","698581","Present",NA,NA
+"28104","6-Chloro-13,13a-dihydro-9H-[1,3]thiazolo[4,3-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepine-9-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Chloro-9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaene-12-thione",NA,"C1C2C3=NN=CN3C4=C(C=CC(=C4)Cl)C(=S)N2CS1","UBQPVFVEVXBWGL-UHFFFAOYSA-N",388518,NA,"PDBC28104","683502","Present",NA,NA
+"28105","6-Chloro-2'-oxospiro[1,3-dihydrobenzimidazole-2,3'-1H-indole]-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2'-oxospiro[1,3-dihydrobenzimidazole-2,3'-1H-indole]-4-carboxylic acid",NA,"C1=CC=C2C(=C1)C3(C(=O)N2)NC4=CC(=CC(=C4N3)C(=O)O)Cl","VAOMJLCKEPRMGO-UHFFFAOYSA-N",396666,NA,"PDBC28105","703180","Present",NA,NA
+"28106","6-Chloro-2,3-dihydro-2-(1-naphthalenyl)-4(1H)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Quinazolinone, 6-chloro-2,3-dihydro-2-(1-naphthale...",NA,"C1=CC=C2C(=C1)C=CC=C2C3NC4=C(C=C(C=C4)Cl)C(=O)N3","ZGIFEPWYKKDPTK-UHFFFAOYSA-N",300573,NA,"PDBC28106","175636","Present",NA,NA
+"28107","6-Chloro-2,3-dimethyl-9-oxo-10H-acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2,3-dimethyl-9-oxo-10H-acridine-4-carboxamide",NA,"CC1=CC2=C(C(=C1C)C(=O)N)NC3=C(C2=O)C=CC(=C3)Cl","YTXWKSJNGINHII-UHFFFAOYSA-N",438264,NA,"PDBC28107","629796","Present",NA,NA
+"28108","6-Chloro-2,3-dimethyl-9-oxo-10H-acridine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2,3-dimethyl-9-oxo-10H-acridine-4-carboxylic acid",NA,"CC1=CC2=C(C(=C1C)C(=O)O)NC3=C(C2=O)C=CC(=C3)Cl","NGCZBQCMFLUJDJ-UHFFFAOYSA-N",438223,NA,"PDBC28108","625962","Present",NA,NA
+"28109","6-Chloro-2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-(3,4-dimethoxyphenyl)-3-nitro-2H-chromene",NA,"COC1=C(C=C(C=C1)C2C(=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-])OC","JVADFMNGKNKTEX-UHFFFAOYSA-N",381495,NA,"PDBC28109","668217","Present",NA,NA
+"28110","6-Chloro-2-(4-chlorophenyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AH006704",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)Cl)Cl","CWLKFFOXFNQDQP-UHFFFAOYSA-N",376348,NA,"PDBC28110","657180","Present",NA,NA
+"28111","6-Chloro-2-(4-chlorophenyl)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-2-(4-chlorophenyl)-~{N}-[4-(2-chlorophenyl)thia...",NA,"C1=CC=C(C(=C1)C2=CSC(=N2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=C(C=C5)Cl)Cl","QCAWZOUFQJHHRL-UHFFFAOYSA-N",155810497,NA,"PDBC28111","797698","Present",NA,NA
+"28112","6-Chloro-2-(4-chlorophenylsulfonyl)-7-cyano-1,-dioxo-3-(ph enylimino)-2,3-dihydro-1,4,2-benzodithiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-(4-chlorophenylsulfonyl)-7-cyano-1,1,-dioxo-3...",NA,"C1=CC=C(C=C1)N=C2N(S(=O)(=O)C3=C(S2)C=C(C(=C3)C#N)Cl)S(=O)(=O)C4=CC=C(C=C4)Cl","RKVBYVZTYKGNBD-UHFFFAOYSA-N",24205032,NA,"PDBC28112","734036","Present",NA,NA
+"28113","6-Chloro-2-(4-fluoro-phenyl)-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-(4-fluorophenyl)-1,8-naphthyridin-4(1h)-one",NA,"C1=CC(=CC=C1C2=CC(=O)C3=C(N2)N=CC(=C3)Cl)F","UHXBIVBUQZJQAF-UHFFFAOYSA-N",386580,NA,"PDBC28113","679028","Present",NA,NA
+"28114","6-Chloro-2-(4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-(4-hydroxyphenyl)benzothiazole",NA,"C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)Cl)O","QIJDOTQHLPVBCS-UHFFFAOYSA-N",405001,NA,"PDBC28114","721655","Present",NA,NA
+"28115","6-Chloro-2-(4-methoxyphenyl)-3-nitro-2H-chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_007280",NA,"COC1=CC=C(C=C1)C2C(=CC3=C(O2)C=CC(=C3)Cl)[N+](=O)[O-]","QLARABZDRDELKD-UHFFFAOYSA-N",381072,NA,"PDBC28115","667222","Present",NA,NA
+"28116","6-Chloro-2-(4-methyl-piperazin-1-ylmethyl)-4-phenyl-quinoline-3-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-2-(4-methyl-piperazin-1-ylmethyl)-4-phenyl-quin...",NA,"CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1CN3CCN(CC3)C)C4=CC=CC=C4","FMTSJDAKXOSBJL-UHFFFAOYSA-N",54613199,NA,"PDBC28116","748519","Present",NA,NA
+"28117","6-Chloro-2-(4-methylphenyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL374141",NA,"CC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)Cl","BEBJOHXTHXVKKG-UHFFFAOYSA-N",376347,NA,"PDBC28117","657179","Present",NA,NA
+"28118","6-Chloro-2-(4-nitrophenyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QKNRQPCMOBTDIW-UHFFFAOYSA-N",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)Cl)[N+](=O)[O-]","QKNRQPCMOBTDIW-UHFFFAOYSA-N",376352,NA,"PDBC28118","657184","Present",NA,NA
+"28119","6-Chloro-2-(4-nitrophenyl)quinazolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-(4-nitrophenyl)quinazolin-4(1H)-one",NA,"C1=CC(=CC=C1C2=NC3=C(C=C(C=C3)Cl)C(=O)N2)[N+](=O)[O-]","ABGDPSCFQOVRGG-UHFFFAOYSA-N",135439371,NA,"PDBC28119","626522","Present",NA,NA
+"28120","6-Chloro-2-(chloromethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-(chloromethyl)-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,"CC1=C(C(=O)N2C(=N1)SC(=N2)CCl)Cl","MJLAHAYNUHEFKW-UHFFFAOYSA-N",385796,NA,"PDBC28120","677190","Present",NA,NA
+"28121","6-Chloro-2-(cyclopentylmethyl)-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-(cyclopentylmethyl)-1H-benzimidazole",NA,"C1CCC(C1)CC2=NC3=C(N2)C=C(C=C3)Cl","PSYAGTZLFAPDAA-UHFFFAOYSA-N",401641,NA,"PDBC28121","715343","Present",NA,NA
+"28122","6-Chloro-2-[2-[2-(6-chloro-1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-[2-[2-(6-chloro-1H-benzimidazol-2-yl)ethylsulfanyl]ethyl]-1H-benzimidazole",NA,"C1=CC2=C(C=C1Cl)NC(=N2)CCSCCC3=NC4=C(N3)C=C(C=C4)Cl","NFKKHKIKWARUMO-UHFFFAOYSA-N",363513,NA,"PDBC28122","628445","Present",NA,NA
+"28123","6-Chloro-2-[3-[4-[3-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-[3-[4-[3-(6-chloro-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione",NA,"C1CN(CCN1CCCN2C(=O)C3=C4C(=C(C=C3)Cl)C=CC=C4C2=O)CCCN5C(=O)C6=C7C(=C(C=C6)Cl)C=CC=C7C5=O","DYZWWNMXKDIBTN-UHFFFAOYSA-N",364090,NA,"PDBC28123","629731","Present",NA,NA
+"28124","6-Chloro-2-benzoxazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664284",NA,"C1=CC2=C(C=C1Cl)OC(=O)N2","MATCZHXABVLZIE-UHFFFAOYSA-N",29858,NA,"PDBC28124","664284","Present",NA,NA
+"28125","6-Chloro-2-cyclohexyl-4-quinazolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GINVXGSOAIDYEN-UHFFFAOYSA-N",NA,"C1CCC(CC1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2","GINVXGSOAIDYEN-UHFFFAOYSA-N",135414731,NA,"PDBC28125","626525","Present",NA,NA
+"28126","6-Chloro-2-imino-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HTS028467",NA,"C1=CC2=C(C=C1Cl)C=C(C(=N)O2)C(=O)N","CEYNZSGQXWUTGS-UHFFFAOYSA-N",395948,NA,"PDBC28126","701072","Present",NA,NA
+"28127","6-Chloro-2-imino-N-phenyl-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL135827",NA,"C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N","ORUVNCNNXWPLIQ-UHFFFAOYSA-N",389250,NA,"PDBC28127","685003","Present",NA,NA
+"28128","6-Chloro-2-methoxy-9-(2-methyl-4-nitro-phenyl)sulfanyl-acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-methoxy-9-[(2-methyl-4-nitrophenyl)sulfanyl]acridine",NA,"CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC","AIGSGQCDBBCEAL-UHFFFAOYSA-N",371146,NA,"PDBC28128","645150","Present",NA,NA
+"28129","6-Chloro-2-methoxy-9-(2-nitrophenyl)sulfanyl-acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-methoxy-9-[(2-nitrophenyl)sulfanyl]acridine",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)SC4=CC=CC=C4[N+](=O)[O-]","WPNFXZXCEGGGHQ-UHFFFAOYSA-N",371145,NA,"PDBC28129","645149","Present",NA,NA
+"28130","6-Chloro-2-methoxy-9-(4-nitrophenyl)sulfanyl-acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-methoxy-9-[(4-nitrophenyl)sulfanyl]acridine",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)SC4=CC=C(C=C4)[N+](=O)[O-]","ONFACZBYJYEOFX-UHFFFAOYSA-N",371144,NA,"PDBC28130","645148","Present",NA,NA
+"28131","6-Chloro-2-methoxy-9-[(5-piperidinopentyl)amino]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-CHLORO-2-METHOXY-9-[(5-PIPERIDINOPENTYL)AMINO]ACRIDINE",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCN4CCCCC4","MRDUIMWRCOBGBZ-UHFFFAOYSA-N",219600,NA,"PDBC28131","1063","Present",NA,NA
+"28132","6-Chloro-2-methyl-1H-benzimidazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzimidazole, 6-amino-5-chloro-2-methyl-",NA,"CC1=NC2=C(N1)C=C(C(=C2)N)Cl","FXXPQDILKKBPOZ-UHFFFAOYSA-N",355712,NA,"PDBC28132","609818","Present",NA,NA
+"28133","6-Chloro-2-phenyl-3H-quinazolin-4-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-phenyl-4-quinazolinol hydrochloride",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2.Cl","VORHAFVHCJVLIL-UHFFFAOYSA-N",135488942,NA,"PDBC28133","626521","Present",NA,NA
+"28134","6-Chloro-2-pyridin-2-yl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-2-pyridin-2-yl-1H-quinolin-4-one",NA,"C1=CC=NC(=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)Cl","COWYBWWMAYMRFL-UHFFFAOYSA-N",372262,NA,"PDBC28134","647318","Present",NA,NA
+"28135","6-Chloro-3'-methylene-spiro[chromane-4,5'-tetrahydrofuran]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3'-methylidenespiro[2,3-dihydrochromene-4,5'-oxolane]-2'-one",NA,"C=C1CC2(CCOC3=C2C=C(C=C3)Cl)OC1=O","CTSKKPHXSRUMRY-UHFFFAOYSA-N",323667,NA,"PDBC28135","286122","Present",NA,NA
+"28136","6-Chloro-3,5-dimethylisothiazolo[4,5-c]pyridin-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3,5-dimethylisothiazolo[4,5-c]pyridin-4(5H)-one",NA,"CC1=NSC2=C1C(=O)N(C(=C2)Cl)C","ISZGIUGWBZEQNY-UHFFFAOYSA-N",373154,NA,"PDBC28136","649095","Present",NA,NA
+"28137","6-Chloro-3-((4Z)-6,8-dichloro-3-methyl-4-{[(4-methylphenyl)sulfonyl]hydrazono}-4H-benzopyran-2-yl)-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-[(4E)-6,8-dichloro-3-methyl-4-[(4-methylphenyl)sulfonylhydrazinylidene]chromen-2-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2C(=C(OC3=C2C=C(C=C3Cl)Cl)C4=NS(=O)(=O)C5=CC(=C(C=C5N4)Cl)S(=O)(=O)N)C","SXDWGDXPHLJPKT-MWAVMZGNSA-N",9571342,NA,"PDBC28137","646778","Present",NA,NA
+"28138","6-Chloro-3-(2,2-dimethylhydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(2,2-dimethylhydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NN(C)C","YYWIOLYKBZKQCH-UHFFFAOYSA-N",378493,NA,"PDBC28138","661093","Present",NA,NA
+"28139","6-Chloro-3-(2-(2,4-dichlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(2-(2,4-dichlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,"CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=C(C=C(C=C3)Cl)Cl)O)Cl","OHYRTGIXLQIRTN-UHFFFAOYSA-N",366714,NA,"PDBC28139","635430","Present",NA,NA
+"28140","6-Chloro-3-(2-(4,5-dihydro-1H-imidazol-2-yl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(2-(4,5-dihydro-1H-imidazol-2-yl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC3=NCCN3","RYVONGQQONGTLC-UHFFFAOYSA-N",378498,NA,"PDBC28140","661098","Present",NA,NA
+"28141","6-Chloro-3-(2-(4-(hydroxy(oxido)amino)phenyl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(2-(4-(hydroxy(oxido)amino)phenyl)hydrazino)-7-methyl-1,4,2-benzodithiazine 1,1-dioxide",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC3=CC=C(C=C3)[N+](=O)[O-]","OYSJSPVELGTYQZ-UHFFFAOYSA-N",3785334,NA,"PDBC28141","661097","Present",NA,NA
+"28142","6-Chloro-3-(2-(4-chlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(2-(4-chlorophenyl)-2-oxoethyl)-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one",NA,"CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=CC=C(C=C3)Cl)O)Cl","VASQUNWADQAPIT-UHFFFAOYSA-N",366699,NA,"PDBC28142","635416","Present",NA,NA
+"28143","6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(2-chlorobenzyl)-3,4-dihydro-2H-(1,3)oxazino(5,6-h)quinoline",NA,"C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=CC=C4Cl)Cl","YQUDGSHPAMOICU-UHFFFAOYSA-N",326313,NA,"PDBC28143","297353","Present",NA,NA
+"28144","6-Chloro-3-(2-methoxyphenyl)-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-3-(2-methoxyphenyl)-2-(3,4,5-trimethoxybenzylth...",NA,"COC1=CC=CC=C1N2C(=O)C3=C(C=CC(=C3)Cl)N=C2SCC4=CC(=C(C(=C4)OC)OC)OC","DUJBUCBNOHHZLF-UHFFFAOYSA-N",134147155,NA,"PDBC28144","764232","Present",NA,NA
+"28145","6-Chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carbonitrile 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carbonitrile 1,1-dioxide",NA,"CNNC1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C#N)Cl","UFUUSIZLRXMOHN-UHFFFAOYSA-N",378496,NA,"PDBC28145","661096","Present",NA,NA
+"28146","6-Chloro-3-(3,4-dichlorobenzoyl)-7-methyl-2,3-dihydro-1,1-dioxo-1,4,2-benzodithiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(3,4-dichlorobenzoyl)-7-methyl-1,1-dioxo-2,3-...",NA,"CC1=CC2=C(C=C1Cl)SC(NS2(=O)=O)C(=O)C3=CC(=C(C=C3)Cl)Cl","PCOWAPVQYNMIMP-UHFFFAOYSA-N",24206084,NA,"PDBC28146","740021","Present",NA,NA
+"28147","6-Chloro-3-(4-chlorophenylimino)-7-methyl-2-(phenylsulfonyl)-1,3-dihydro-1,4,2-benzodithiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(4-chlorophenylimino)-7-methyl-2-(phenylsulfo...",NA,"CC1=CC2=C(C=C1Cl)SC(=NC3=CC=C(C=C3)Cl)N(S2(=O)=O)S(=O)(=O)C4=CC=CC=C4","AAYNZZNJVJETRL-UHFFFAOYSA-N",24204334,NA,"PDBC28147","731392","Present",NA,NA
+"28148","6-Chloro-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-2h-chromen-2-one",NA,"C1CN2C(=CSC2=N1)C3=CC4=C(C=CC(=C4)Cl)OC3=O","RAWMPGWEZLGJTF-UHFFFAOYSA-N",403449,NA,"PDBC28148","718316","Present",NA,NA
+"28149","6-Chloro-3-(6-chloro-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(6-chloro-4-oxo-2-phenyl-chromen-3-yl)-2-phenyl-chromen-4-one",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)C4=C(OC5=C(C4=O)C=C(C=C5)Cl)C6=CC=CC=C6","AGUQXNILTYKIAN-UHFFFAOYSA-N",381597,NA,"PDBC28149","668406","Present",NA,NA
+"28150","6-Chloro-3-(6-chloroimidazo[1,2-a]pyridin-2-yl)chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-2-one, 6-chloro-3-[6-chloroimidazo[1,2-a...",NA,"C1=CC2=C(C=C1Cl)C=C(C(=O)O2)C3=CN4C=C(C=CC4=N3)Cl","BOGFSYNPPDEDKY-UHFFFAOYSA-N",395978,NA,"PDBC28150","701102","Present",NA,NA
+"28151","6-Chloro-3-(7-hydroxy-4-oxo-chromene-2-carbonyl)-1,1-dioxo-2H-1$l^{6},2,4-benzothiadiazine-7-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-(7-hydroxy-4-oxochromene-2-carbonyl)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",NA,"C1=CC2=C(C=C1O)OC(=CC2=O)C(=O)C3=NS(=O)(=O)C4=CC(=C(C=C4N3)Cl)S(=O)(=O)N","CLWGBCZPYDLUOV-UHFFFAOYSA-N",5465334,NA,"PDBC28151","646363","Present",NA,NA
+"28152","6-Chloro-3-[(2-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-[(2-fluorophenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine",NA,"C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=CC=C4F)Cl","SGUFJSRPDLQVAV-UHFFFAOYSA-N",326326,NA,"PDBC28152","297366","Present",NA,NA
+"28153","6-Chloro-3-[(Z)-[1-(3,4,5-trimethoxyphenyl)pyrido[3,4-b]indol-3-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-chloro-3-((1-(3,4,5-trimethoxyphenyl)-9H-pyrido[3,...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=C(NC4=C3C=CC(=C4)Cl)O)C=C5C2=NC6=CC=CC=C65","CUGGIQLCNWLSAZ-VKAVYKQESA-N",155814526,NA,"PDBC28153","761849","Present",NA,NA
+"28154","6-Chloro-3-[(Z)-[2-(3,5-difluorophenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-chloro-3-((2-(3,5-difluorophenyl)-3H-benzo[d]imida...",NA,"C1=CC2=C(C=C1Cl)NC(=C2C=C3C=CC4=NC(=NC4=C3)C5=CC(=CC(=C5)F)F)O","OAQVETYFAXEFTR-WZUFQYTHSA-N",137225059,NA,"PDBC28154","763642","Present",NA,NA
+"28155","6-Chloro-3-[(Z)-[2-(4-methoxyphenyl)benzimidazol-5-ylidene]methyl]-1H-indol-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-6-chloro-3-((2-(4-methoxyphenyl)-3H-benzo[d]imidazol...",NA,"COC1=CC=C(C=C1)C2=NC3=CC(=CC4=C(NC5=C4C=CC(=C5)Cl)O)C=CC3=N2","KPIFDTPBAKZFHH-RAXLEYEMSA-N",155806854,NA,"PDBC28155","763703","Present",NA,NA
+"28156","6-Chloro-3-[2-(2-hydroxyethyl)hydrazinyl]-1,1-dioxo-N-phenyl-1lambda6,4,2-benzodithiazine-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-[2-(2-hydroxyethyl)hydrazinyl]-1,1-dioxo-N-phenyl-1lambda6,4,2-benzodithiazine-7-carboxamide",NA,"C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2Cl)SC(=NS3(=O)=O)NNCCO","OAODQZXTRRMUKF-UHFFFAOYSA-N",393942,NA,"PDBC28156","696914","Present",NA,NA
+"28157","6-Chloro-3-hydroxy-7-methyl-3-(1-oxo-2,3-dihydro-1H-inden-2-yl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-hydroxy-7-methyl-3-(1-oxo-2,3-dihydro-1H-inden-2-yl)-1,3-dihydro-2H-indol-2-one",NA,"CC1=C(C=CC2=C1NC(=O)C2(C3CC4=CC=CC=C4C3=O)O)Cl","VVKNTOSRNKHDRO-UHFFFAOYSA-N",366704,NA,"PDBC28157","635421","Present",NA,NA
+"28158","6-Chloro-3-hydroxy-7-methyl-3-(2-(1-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-hydroxy-7-methyl-3-(2-(1-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,"CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=CC=CC4=CC=CC=C43)O)Cl","GAKDMVPYWBCLCG-UHFFFAOYSA-N",366648,NA,"PDBC28158","635323","Present",NA,NA
+"28159","6-Chloro-3-hydroxy-7-methyl-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-hydroxy-7-methyl-3-(2-(2-naphthyl)-2-oxoethyl)-1,3-dihydro-2H-indol-2-one",NA,"CC1=C(C=CC2=C1NC(=O)C2(CC(=O)C3=CC4=CC=CC=C4C=C3)O)Cl","YUGRSHNMRUJTHB-UHFFFAOYSA-N",366690,NA,"PDBC28159","635407","Present",NA,NA
+"28160","6-Chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-hydroxy-7-methyl-3-(2-oxo-1,2-diphenylethyl)-1,3-dihydro-2H-indol-2-one",NA,"CC1=C(C=CC2=C1NC(=O)C2(C(C3=CC=CC=C3)C(=O)C4=CC=CC=C4)O)Cl","WTTVOLUUKVXFHM-UHFFFAOYSA-N",366646,NA,"PDBC28160","635321","Present",NA,NA
+"28161","6-Chloro-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-2-one, 6-chloro-3-[imidazo[1,2-a]pyridin...",NA,"C1=CC2=NC(=CN2C=C1)C3=CC4=C(C=CC(=C4)Cl)OC3=O","KLGZOTKVIMZRON-UHFFFAOYSA-N",395976,NA,"PDBC28161","701100","Present",NA,NA
+"28162","6-Chloro-3-methyl-1,4-diphenyl-1H-pyrazolo[3,4-b]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-methyl-1,4-diphenyl-1H-pyrazolo[3,4-b]quinoline",NA,"CC1=NN(C2=NC3=C(C=C(C=C3)Cl)C(=C12)C4=CC=CC=C4)C5=CC=CC=C5","KGOHKGRCZPJHQC-UHFFFAOYSA-N",394793,NA,"PDBC28162","698580","Present",NA,NA
+"28163","6-Chloro-3-methyl-2-(4-methyl-1-piperazinyl)-4-phenylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-methyl-2-(4-methyl-1-piperazinyl)-4-phenylquinoline",NA,"CC1=C(C2=C(C=CC(=C2)Cl)N=C1N3CCN(CC3)C)C4=CC=CC=C4","NZQWFHXJDJCBPA-UHFFFAOYSA-N",494845,NA,"PDBC28163","633851","Present",NA,NA
+"28164","6-Chloro-3-methyl-2-phenyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KEXRVLPIWYCEPT-UHFFFAOYSA-N",NA,"CC1=C(NC2=C(C1=O)C=C(C=C2)Cl)C3=CC=CC=C3","KEXRVLPIWYCEPT-UHFFFAOYSA-N",379804,NA,"PDBC28164","664904","Present",NA,NA
+"28165","6-Chloro-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"CC1=NN=C2N1N=C(S2)Cl","ZWYWAZVNJOFKJX-UHFFFAOYSA-N",383496,NA,"PDBC28165","671881","Present",NA,NA
+"28166","6-Chloro-3-oxo-4H-quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-06132",NA,"C1=CC2=C(C=C1Cl)NC(=O)C(=N2)C(=O)O","WETRNHIHKGIDEQ-UHFFFAOYSA-N",387925,NA,"PDBC28166","682230","Present",NA,NA
+"28167","6-Chloro-3a-(4-chlorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3a-(4-chlorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,"C1CC2(NC3=C(N2C1=O)C=CC(=C3)Cl)C4=CC=C(C=C4)Cl","HDXLERUIJIAYIG-UHFFFAOYSA-N",368715,NA,"PDBC28167","639852","Present",NA,NA
+"28168","6-Chloro-3a-(4-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-3a-(4-fluorophenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,"C1CC2(NC3=C(N2C1=O)C=CC(=C3)Cl)C4=CC=C(C=C4)F","UVVUUWOPXMLUKL-UHFFFAOYSA-N",368716,NA,"PDBC28168","639853","Present",NA,NA
+"28169","6-Chloro-4-(1H-imidazol-1-yl)-3-(2-(1H-imidazol-1-yl)ethyl)-2-methylquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-(1H-imidazol-1-yl)ethyl)-6-chloro-4-(1H- imidazol-1...",NA,"CC1=C(C(=C2C=C(C=CC2=N1)Cl)N3C=CN=C3)CCN4C=CN=C4","FNILEGFYDPTHBA-UHFFFAOYSA-N",380617,NA,"PDBC28169","666292","Present",NA,NA
+"28170","6-Chloro-4-(3-fluoro-4-methoxyphenyl)coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781480",NA,"COC1=C(C=C(C=C1)C2=CC(=O)OC3=C2C=C(C=C3)Cl)F","MPIKMKWERBRKSE-UHFFFAOYSA-N",132961420,NA,"PDBC28170","781480","Present",NA,NA
+"28171","6-Chloro-4-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-4-N-(3,5-dichlorophenyl)pyrimidine-2,4-diamine",NA,"C1=C(C=C(C=C1Cl)Cl)NC2=CC(=NC(=N2)N)Cl","AUVRWTGJPUZAMO-UHFFFAOYSA-N",388060,NA,"PDBC28171","682521","Present",NA,NA
+"28172","6-Chloro-4-N-[(3-methylidenecyclobutyl)methyl]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N~4~-((3-methylenecyclobutyl)methyl)-2,4-pyrimidinediamine",NA,"C=C1CC(C1)CNC2=CC(=NC(=N2)N)Cl","RBQFDJGWIRFXIN-UHFFFAOYSA-N",385218,NA,"PDBC28172","676331","Present",NA,NA
+"28173","6-Chloro-4-[4-(methylamino)phenyl]coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781481",NA,"CNC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=C(C=C3)Cl","URDSXUQHONNYSK-UHFFFAOYSA-N",132961421,NA,"PDBC28173","781481","Present",NA,NA
+"28174","6-Chloro-4-ethoxy-5-iodoquinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-4-ethoxy-5-iodoquinazoline",NA,"CCOC1=NC=NC2=C1C(=C(C=C2)Cl)I","OHKSFRTUJVDVSH-UHFFFAOYSA-N",374003,NA,"PDBC28174","651043","Present",NA,NA
+"28175","6-Chloro-4-hydroxypyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zlchem 18",NA,"C1=C(N=CNC1=O)Cl","AXFABVAPHSWFMD-UHFFFAOYSA-N",135445478,NA,"PDBC28175","618279","Present",NA,NA
+"28176","6-Chloro-4-methyl-3-phenylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Benzopyran-2-one,  6-chloro-4-methyl-3-phenyl-",NA,"CC1=C(C(=O)OC2=C1C=C(C=C2)Cl)C3=CC=CC=C3","YMPQQKPMUYROBI-UHFFFAOYSA-N",363710,NA,"PDBC28176","628870","Present",NA,NA
+"28177","6-Chloro-4-oxido-1,2,4-benzotriazin-4-ium-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-4-oxido-1,2,4-benzotriazin-4-ium-3-amine",NA,"C1=CC2=C(C=C1Cl)N(C(=N)N=N2)O","OBFBJIRLMARAEY-UHFFFAOYSA-N",494374,NA,"PDBC28177","617845","Present",NA,NA
+"28178","6-Chloro-4-oxo-2-phenyl-1H-quinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-4-oxo-2-phenyl-1,4-dihydroquinoline-3-carbonitrile",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=C(N2)C=CC(=C3)Cl)C#N","QCENVEJEEISSID-UHFFFAOYSA-N",379806,NA,"PDBC28178","664906","Present",NA,NA
+"28179","6-Chloro-5,8-dihydroxy-7-(2-hydroxyethylamino)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5,8-dihydroxy-7-[(2-hydroxyethyl)amino]naphthalene-1,4-dione",NA,"C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)NCCO)O","OXGFZVBBQWCSJL-UHFFFAOYSA-N",378768,NA,"PDBC28179","661938","Present",NA,NA
+"28180","6-Chloro-5,8-dihydroxy-7-(4-pyridin-2-ylpiperazin-1-yl)naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5,8-dihydroxy-7-[4-(pyridin-2-yl)piperazin-1-yl]naphthalene-1,4-dione",NA,"C1CN(CCN1C2=CC=CC=N2)C3=C(C4=C(C(=O)C=CC4=O)C(=C3Cl)O)O","XWWOYZSQSCVIBQ-UHFFFAOYSA-N",376946,NA,"PDBC28180","658141","Present",NA,NA
+"28181","6-Chloro-5,8-dihydroxy-7-[2-(2-hydroxyethoxy)ethylamino]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5,8-dihydroxy-7-{[2-(2-hydroxyethoxy)ethyl]amino}naphthalene-1,4-dione",NA,"C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)NCCOCCO)O","NMUDEGJESOJBPN-UHFFFAOYSA-N",376281,NA,"PDBC28181","656995","Present",NA,NA
+"28182","6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5,8-dihydroxy-7-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}naphthalene-1,4-dione",NA,"C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","WLAGCDRCPWEGRL-UHFFFAOYSA-N",375897,NA,"PDBC28182","660638","Present",NA,NA
+"28183","6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;(2R,3R)-2,3-dihydroxybutanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;(2R,3R)-2,3-dihydroxybutanedioic acid",NA,"C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.C(C(C(=O)O)O)(C(=O)O)O","QMXNVDPBFJGLCM-LREBCSMRSA-N",378362,NA,"PDBC28183","660637","Present",NA,NA
+"28184","6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5,8-dihydroxy-7-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]naphthalene-1,4-dione;hydrochloride",NA,"C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl","BQXVHFNAIWSUBW-UHFFFAOYSA-N",375896,NA,"PDBC28184","656209","Present",NA,NA
+"28185","6-Chloro-5,8-dihydroxy-7-methoxynaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C11H7ClO5",NA,"COC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl","LHKORPVWCWZALZ-UHFFFAOYSA-N",135409146,NA,"PDBC28185","659996","Present",NA,NA
+"28186","6-Chloro-5,8-dihydroxy-7-piperazin-1-ylnaphthalene-1,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5,8-dihydroxy-7-piperazin-1-ylnaphthalene-1,4-dione;hydrochloride",NA,"C1CN(CCN1)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl","YNVBHRWIGRNNLF-UHFFFAOYSA-N",376115,NA,"PDBC28186","656599","Present",NA,NA
+"28187","6-Chloro-5,8-dihydroxy-7-thiomorpholin-4-ylnaphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5,8-dihydroxy-7-(thiomorpholin-4-yl)naphthalene-1,4-dione",NA,"C1CSCCN1C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","KLEVDRNNFDZMJN-UHFFFAOYSA-N",378630,NA,"PDBC28187","661422","Present",NA,NA
+"28188","6-Chloro-5-(2-imidazol-1-ylethyl)-1,3-dihydroindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5-[2-(1H-imidazol-1-yl)ethyl]-1,3-dihydro-2H-in...",NA,"C1C2=CC(=C(C=C2NC1=O)Cl)CCN3C=CN=C3","UDWUEJXOTFSYOQ-UHFFFAOYSA-N",134140653,NA,"PDBC28188","762887","Present",NA,NA
+"28189","6-Chloro-5-(2-piperazin-1-YL-ethyl)-1,3-dihydro-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5-[2-(piperazin-1-yl)ethyl]-1,3-dihydro-2H-indo...",NA,"C1CN(CCN1)CCC2=C(C=C3C(=C2)CC(=O)N3)Cl","LLNIWWGUWKFGLE-UHFFFAOYSA-N",22181640,NA,"PDBC28189","762889","Present",NA,NA
+"28190","6-Chloro-5-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]pyrimidine-2,4-diamine",NA,"COC1=CC(=CC(=C1)N2CCC(CC2)C3=C(N=C(N=C3Cl)N)N)OC","AIVDPXZGGSQMIY-UHFFFAOYSA-N",360768,NA,"PDBC28190","623108","Present",NA,NA
+"28191","6-Chloro-5-[2-(1,2,4-triazol-1-yl)ethyl]-1,3-dihydroindol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1,3-dihydro-...",NA,"C1C2=CC(=C(C=C2NC1=O)Cl)CCN3C=NC=N3","LMOJFGDZJFEWEA-UHFFFAOYSA-N",134141691,NA,"PDBC28191","762888","Present",NA,NA
+"28192","6-Chloro-5-fluoro-2-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazole, 5-chloro-6-fluoro-2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-",NA,"CN1C=NC(=C1SC2=NC3=CC(=C(C=C3N2)F)Cl)[N+](=O)[O-]","OFMFRGVLOPNLFM-UHFFFAOYSA-N",364604,NA,"PDBC28192","631132","Present",NA,NA
+"28193","6-Chloro-5-imino-N-(2-thienylmethyl)-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5-imino-N-(2-thienylmethyl)-4,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxamide",NA,"C1=CC2=C(C(=C1)Cl)C(=NC3=C(N=NN23)C(=O)NCC4=CC=CS4)N","PWMBWOOHLHUHJZ-UHFFFAOYSA-N",342587,NA,"PDBC28193","379640","Present",NA,NA
+"28194","6-Chloro-5-iodo-4(4aH)-quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5-iodo-4(4aH)-quinazolinone",NA,"C1=CC(=C(C2C1=NC=NC2=O)I)Cl","VETDWNNPSDNIPZ-UHFFFAOYSA-N",374002,NA,"PDBC28194","651042","Present",NA,NA
+"28195","6-Chloro-5-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5-methyl-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazine-7-sulfonamide",NA,"CC1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=CN2","UNUUPKIWWPPKGU-UHFFFAOYSA-N",5351722,NA,"PDBC28195","25861","Present",NA,NA
+"28196","6-Chloro-5-phenyl-7-(trifluoromethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-5-phenyl-7-(trifluoromethyl)-1h-oxazolo[4,5-e]pyridin-2-one",NA,"C1=CC=C(C=C1)C2=C(C(=C3C(=N2)OC(=O)N3)C(F)(F)F)Cl","RHHQGHLNNXQVTC-UHFFFAOYSA-N",397735,NA,"PDBC28196","706158","Present",NA,NA
+"28197","6-Chloro-7-(Propargyloxymethyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-7-(Propargyloxymethyl)purine",NA,"C#CCOCN1C=NC2=C1C(=NC=N2)Cl","QZMSXWGOYGLXHP-UHFFFAOYSA-N",365493,NA,"PDBC28197","633127","Present",NA,NA
+"28198","6-Chloro-7-N-(2-fluoroethylamino)-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-7-N-(2-fluoroethylamino)-5,8-quinolinedione",NA,"C1=CC2=C(C(=O)C(=C(C2=O)Cl)NCCF)N=C1","LZEPICGOABXQOY-UHFFFAOYSA-N",379084,NA,"PDBC28198","663292","Present",NA,NA
+"28199","6-Chloro-7-N-(4-hexoxyanilino)-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-7-N-(4-hexoxyanilino)-5,8-quinolinedione",NA,"CCCCCCOC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl","MEGQGRDKTAMKGE-UHFFFAOYSA-N",379075,NA,"PDBC28199","663282","Present",NA,NA
+"28200","6-Chloro-7-[2-(dimethylamino)ethylamino]-5,8-dihydroxynaphthalene-1,4-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-7-[2-(dimethylamino)ethylamino]-5,8-dihydroxynaphthalene-1,4-dione;hydrochloride",NA,"CN(C)CCNC1=C(C2=C(C(=O)C=CC2=O)C(=C1Cl)O)O.Cl","YESQUZBORKHFRO-UHFFFAOYSA-N",377696,NA,"PDBC28200","659287","Present",NA,NA
+"28201","6-Chloro-7-[4'-(pyridyl)piperazino]-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-7-[4'-(pyridyl)piperazino]-5,8-quinolinedione",NA,"C1CN(CCN1C2=CC=CC=N2)C3=C(C(=O)C4=C(C3=O)N=CC=C4)Cl","RKFBAYFKEIDQFV-UHFFFAOYSA-N",379873,NA,"PDBC28201","665033","Present",NA,NA
+"28202","6-Chloro-7-[bis-(2-chloroethoxy)amino]naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-7-[bis-(2-chloroethoxy)amino]naphthazarin",NA,"C1=CC(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)N(CCCl)CCCl)O","VKJVVZBPJMASCF-UHFFFAOYSA-N",378772,NA,"PDBC28202","661942","Present",NA,NA
+"28203","6-Chloro-7-iodo-1H-indole-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-7-iodo-1H-indole-2,3-dione",NA,"C1=CC(=C(C2=C1C(=O)C(=O)N2)I)Cl","HQXATBPXCFHSDG-UHFFFAOYSA-N",373999,NA,"PDBC28203","651039","Present",NA,NA
+"28204","6-Chloro-7-methyl-3-(2-methylhydrazino)-1,4,2-benzodithiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-7-methyl-3-(2-methylhydrazino)-1,4,2-benzodithiazine 1,1-dioxide",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC","PGVNWVQAFNZAMJ-UHFFFAOYSA-N",378494,NA,"PDBC28204","661094","Present",NA,NA
+"28205","6-Chloro-7-methyl-3-(2-quinoxalin-2-ylhydrazino)benzo[e]1,4,2-dithiazine-1,1-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-7-methyl-3-(2-quinoxalin-2-ylhydrazino)benzo[e]1,4,2-dithiazine-1,1-dione",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC3=NC4=CC=CC=C4N=C3","DTEIQDMTAPBWNV-UHFFFAOYSA-N",384337,NA,"PDBC28205","674022","Present",NA,NA
+"28206","6-Chloro-7-methyl-3-(4-methylbenzenesulfonamido)-1,2-benzo dithiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-7-methyl-3-(4-methylbenzenesulfonamido)-1,4,2-b...",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=NS(=O)(=O)C3=C(S2)C=C(C(=C3)C)Cl","RFZFKSYWGJENKT-UHFFFAOYSA-N",405681,NA,"PDBC28206","723138","Present",NA,NA
+"28207","6-Chloro-7-phenyl-8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-7-phenyl-8-(3,5-dimethoxybenzyl)- 5,8-dihydro-4...",NA,"COC1=CC(=CC(=C1)CN2C3=C(CCC4=C3ON=C4)C(=C2C5=CC=CC=C5)Cl)OC","ANYZWGYCJQGLGF-UHFFFAOYSA-N",60148312,NA,"PDBC28207","754118","Present",NA,NA
+"28208","6-Chloro-7-{4-[2-(2-hydroxy-ethoxy)-ethyl]-piperazin-1-yl}-quinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-7-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}quinoline-5,8-dione",NA,"C1CN(CCN1CCOCCO)C2=C(C(=O)C3=C(C2=O)N=CC=C3)Cl","QIBWVZPGFJORRR-UHFFFAOYSA-N",378911,NA,"PDBC28208","662382","Present",NA,NA
+"28209","6-Chloro-8-(2-nitrophenyl)sulfonyl-1,2,3,4-tetrahydroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline, 6-chloro-1,2,3,4-tetrahydro-8-[(2-nitrophenyl)sulfonyl]-",NA,"C1CC2=C(C(=CC(=C2)Cl)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NC1","XUPBUXBIAOXTEY-UHFFFAOYSA-N",380125,NA,"PDBC28209","665527","Present",NA,NA
+"28210","6-Chloro-8-(6-chloro-4-oxo-2-phenyl-chromen-8-yl)-2-phenyl-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-8-(6-chloro-4-oxo-2-phenyl-chromen-8-yl)-2-phenyl-chromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=CC(=C3)Cl)C4=CC(=CC5=C4OC(=CC5=O)C6=CC=CC=C6)Cl","BWIPFERAULCFAX-UHFFFAOYSA-N",381599,NA,"PDBC28210","668408","Present",NA,NA
+"28211","6-Chloro-8-(phenylethynyl)-9-(tetrahydro-2h-pyran-2-yl)-9h-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-8-(phenylethynyl)-9-(tetrahydro-2h-pyran-2-yl)-9h-purine",NA,"C1CCOC(C1)N2C(=NC3=C2N=CN=C3Cl)C#CC4=CC=CC=C4","YFGOIPQJDFTUPA-UHFFFAOYSA-N",401176,NA,"PDBC28211","714377","Present",NA,NA
+"28212","6-Chloro-8-hydroxy-5-quinolinesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-8-hydroxyquinoline-5-sulfonic acid",NA,"C1=CC2=C(C(=CC(=C2S(=O)(=O)O)Cl)O)N=C1","NAJXFIVUOVYAAE-UHFFFAOYSA-N",395839,NA,"PDBC28212","700842","Present",NA,NA
+"28213","6-Chloro-8-hydroxyquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC-833",NA,"C1=CC2=CC(=CC(=C2N=C1)O)Cl","YFKDOLPRGYKULB-UHFFFAOYSA-N",384162,NA,"PDBC28213","673453","Present",NA,NA
+"28214","6-Chloro-9-(1-(2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)ethyl)-9H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-(1-(2-fluoro-1-(((4-methylphenyl)thio)methyl)ethoxy)ethyl)-9H-purin-2-amine",NA,"CC1=CC=C(C=C1)SCC(CF)OC(C)N2C=NC3=C2N=C(N=C3Cl)N","ISLNYJOKMLBOQG-UHFFFAOYSA-N",382805,NA,"PDBC28214","670533","Present",NA,NA
+"28215","6-Chloro-9-(12-(6-chloro-9H-purin-9-yl)dodecyl)-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-(12-(6-chloro-9H-purin-9-yl)dodecyl)-9H-purine",NA,"C1=NC2=C(C(=N1)Cl)N=CN2CCCCCCCCCCCCN3C=NC4=C3N=CN=C4Cl","PMXBDQBVDBOBOZ-UHFFFAOYSA-N",374881,NA,"PDBC28215","653417","Present",NA,NA
+"28216","6-Chloro-9-(2-methoxyethyl)-N-phenyl-9H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-(2-methoxyethyl)-N-phenyl-9H-purin-2-amine",NA,"COCCN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3","WAWONNQXJNMTHQ-UHFFFAOYSA-N",385892,NA,"PDBC28216","677293","Present",NA,NA
+"28217","6-Chloro-9-(4-p-tolyloxy-5-p-tolyloxymethyl-tetrahydro-furan-2-yl)-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685827///9H-Purine, 6-chloro- 9-[2-deoxy-3,5-O-bis(4-methylphenyl...",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=CN=C4Cl)OC5=CC=C(C=C5)C","PKEBFWDTGKVWKA-UHFFFAOYSA-N",389530,NA,"PDBC28217","685827///685829","Present",NA,NA
+"28218","6-Chloro-9-(prop-2-ynoxymethyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-(proparglyoxymethyl)purine",NA,"C#CCOCN1C=NC2=C1N=CN=C2Cl","LBZYMHZPMIJSQW-UHFFFAOYSA-N",365494,NA,"PDBC28218","633128","Present",NA,NA
+"28219","6-Chloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]purin-2-amine",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)N)OC5=CC=C(C=C5)C","SVNDYEFTLZCTEX-UHFFFAOYSA-N",389511,NA,"PDBC28219","685798","Present",NA,NA
+"28220","6-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)Cl)C","UHYNFRILRIDOCV-UHFFFAOYSA-N",365426,NA,"PDBC28220","633046","Present",NA,NA
+"28221","6-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)Cl)C","NOTXHJJZOBYGHI-UHFFFAOYSA-N",365404,NA,"PDBC28221","633024","Present",NA,NA
+"28222","6-Chloro-9-[5-(diethylamino)pentan-2-ylamino]acridin-2-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-[5-(diethylamino)pentan-2-ylamino]acridin-2-ol;hydrochloride",NA,"CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)O.Cl","CPISHJJVECCICH-UHFFFAOYSA-N",24188580,NA,"PDBC28222","77643","Present",NA,NA
+"28223","6-Chloro-9-[[2-(chloromethyl)phenyl]methyl]purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733888",NA,"C1=CC=C(C(=C1)CN2C=NC3=C2N=CN=C3Cl)CCl","CVDHPMAOKRJQPH-UHFFFAOYSA-N",24204975,NA,"PDBC28223","733888","Present",NA,NA
+"28224","6-Chloro-9-[[3-(chloromethyl)-2,4,6-trimethylphenyl]methyl]purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-[[3-(chloromethyl)-2,4,6-trimethylphenyl]methyl]purine",NA,"CC1=CC(=C(C(=C1CN2C=NC3=C2N=CN=C3Cl)C)CCl)C","IQGGXLREDJRWQF-UHFFFAOYSA-N",24204509,NA,"PDBC28224","732090","Present",NA,NA
+"28225","6-Chloro-9-[[3-(chloromethyl)phenyl]methyl]purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733885",NA,"C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=CN=C3Cl","VNNWFAAEYXWINT-UHFFFAOYSA-N",24204973,NA,"PDBC28225","733885","Present",NA,NA
+"28226","6-Chloro-9-[[4-(chloromethyl)phenyl]methyl]purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-[[4-(chloromethyl)phenyl]methyl]purine",NA,"C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3Cl)CCl","WLJFOTSEPCLQLR-UHFFFAOYSA-N",24204347,NA,"PDBC28226","731409","Present",NA,NA
+"28227","6-Chloro-9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-[[4-[4-(chloromethyl)phenyl]phenyl]methyl]purine",NA,"C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3Cl)C4=CC=C(C=C4)CCl","WJCRSRKYZYMZJT-UHFFFAOYSA-N",24204346,NA,"PDBC28227","731408","Present",NA,NA
+"28228","6-Chloro-9-oxo-2,3-diphenyl-10H-acridine-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-oxo-2,3-diphenyl-10H-acridine-4-carbonitrile",NA,"C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C(=O)C4=C(N3)C=C(C=C4)Cl)C#N)C5=CC=CC=C5","UIRXGCRNDNYIMZ-UHFFFAOYSA-N",367598,NA,"PDBC28228","637430","Present",NA,NA
+"28229","6-Chloro-9-thioxo-13,13a-dihydro-9H-[1,2,4]oxadiazolo[4,3-a][1,3]thiazolo[4,3-c][1,4]benzodiazepin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Chloro-12-sulfanylidene-4-oxa-9-thia-2,5,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),5,14,16-tetraen-3-one",NA,"C1C2C3=NOC(=O)N3C4=C(C=CC(=C4)Cl)C(=S)N2CS1","FBJOAKRURSFJDI-UHFFFAOYSA-N",388517,NA,"PDBC28229","683501","Present",NA,NA
+"28230","6-Chloro-9H-purine-2-sulfonic acid dimethylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC-17213",NA,"CN(C)S(=O)(=O)C1=NC2=C(C(=N1)Cl)NC=N2","UPBVWCOGFNJEGE-UHFFFAOYSA-N",5351836,NA,"PDBC28230","57788","Present",NA,NA
+"28231","6-Chloro-N'-(6-chloro-3-methylsulfanyl-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carbonyl)-N'-methyl-3-methylsulfanyl-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N'-(6-chloro-3-methylsulfanyl-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carbonyl)-N'-methyl-3-methylsulfanyl-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carbohydrazide",NA,"CN(C(=O)C1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)SC)NC(=O)C3=CC4=C(C=C3Cl)SC(=NS4(=O)=O)SC","IMAJQEWAEHPEPZ-UHFFFAOYSA-N",378502,NA,"PDBC28231","661102","Present",NA,NA
+"28232","6-Chloro-N,N-bis(2-chloroethyl)-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N,N-bis(2-chloroethyl)-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine",NA,"C1=CC2=C(C=C1Cl)C(OP(=O)(O2)N(CCCl)CCCl)C(Cl)(Cl)Cl","CNHAOASKKIUHJG-UHFFFAOYSA-N",382840,NA,"PDBC28232","670669","Present",NA,NA
+"28233","6-Chloro-N-(2-dimethylaminoethyl)-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-[2-(dimethylamino)ethyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NCCN(C)C)Cl)C","ZCFBPOGNDPZKBT-UHFFFAOYSA-N",365175,NA,"PDBC28233","632385","Present",NA,NA
+"28234","6-Chloro-N-(3,4-dichlorobenzyl)-9H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-(3,4-dichlorobenzyl)-9H-purin-2-amine",NA,"C1=CC(=C(C=C1CNC2=NC3=C(C(=N2)Cl)NC=N3)Cl)Cl","DZNVGQAAKORXOW-UHFFFAOYSA-N",5466238,NA,"PDBC28234","682513","Present",NA,NA
+"28235","6-Chloro-N-(3,4-dichlorophenyl)-9H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-(3,4-dichlorophenyl)-9H-purin-2-amine",NA,"C1=CC(=C(C=C1NC2=NC3=C(C(=N2)Cl)NC=N3)Cl)Cl","FSUMTLVROIWCNP-UHFFFAOYSA-N",5466206,NA,"PDBC28235","681690","Present",NA,NA
+"28236","6-Chloro-N-(3,5-dichlorophenyl)-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-(3,5-dichlorophenyl)-9-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]purin-2-amine",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4Cl)NC5=CC(=CC(=C5)Cl)Cl)OC6=CC=C(C=C6)C","JRAABYSHCFJKSR-UHFFFAOYSA-N",389529,NA,"PDBC28236","685822","Present",NA,NA
+"28237","6-Chloro-N-(3-chloro-4-fluorophenyl)-9H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-(3-chloro-4-fluorophenyl)-9H-purin-2-amine",NA,"C1=CC(=C(C=C1NC2=NC3=C(C(=N2)Cl)NC=N3)Cl)F","OOVQBOQEDPRQDP-UHFFFAOYSA-N",5466331,NA,"PDBC28237","685826","Present",NA,NA
+"28238","6-Chloro-N-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)hydrazinyl]-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-(4-chlorophenyl)-3-[2-(2-hydroxyethyl)hydrazinyl]-1,1-dioxo-1lambda6,4,2-benzodithiazine-7-carboxamide",NA,"C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2Cl)SC(=NS3(=O)=O)NNCCO)Cl","WITASGVOQSNXIM-UHFFFAOYSA-N",393943,NA,"PDBC28238","696915","Present",NA,NA
+"28239","6-Chloro-N-(7-chloro-4-methyl-1,2,4-benzothiadiazin-3-yl)nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-N-(7-chloro-4-methyl-1,1-dioxido-4H-1,2,4-benzo...",NA,"CN1C2=C(C=C(C=C2)Cl)S(=O)(=O)N=C1NC(=O)C3=CN=C(C=C3)Cl","PWFVMDAUMCXIRF-UHFFFAOYSA-N",15955472,NA,"PDBC28239","740557","Present",NA,NA
+"28240","6-Chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-[(Z)-[phenyl(pyrimidin-2-yl)methylidene]amino]pyrimidin-4-amine",NA,"C1=CC=C(C=C1)C(=NNC2=CC(=NC=N2)Cl)C3=NC=CC=N3","MLKCLHWCFALDKM-HMAPJEAMSA-N",5893153,NA,"PDBC28240","693624","Present",NA,NA
+"28241","6-Chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-[2-(dimethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC(=C1)Cl)C=CC(=N2)C3=CC=CC=C3.Cl","MYWVAVIOTXBDNC-UHFFFAOYSA-N",358086,NA,"PDBC28241","617936","Present",NA,NA
+"28242","6-Chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3Cl.Cl","PWBWHUGANHJFAK-UHFFFAOYSA-N",358158,NA,"PDBC28242","617980","Present",NA,NA
+"28243","6-Chloro-N-cyclohexyl-2-imino-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK460988",NA,"C1CCC(CC1)NC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N","AYFRHFDLBLWNLH-UHFFFAOYSA-N",395956,NA,"PDBC28243","701080","Present",NA,NA
+"28244","6-Chloroflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621450",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl","IFNDLWHUYFSXBK-UHFFFAOYSA-N",248021,NA,"PDBC28244","621450","Present",NA,NA
+"28245","6-Chloromethyl-2-oxo-2H-1-benzopyran-3-carboxylic acid 3-chlorophenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloromethyl-2-oxo-2H-1-benzopyran-3-carboxylic acid 3-chlorophenyl ester",NA,"C1=CC(=CC(=C1)Cl)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","RYPFJZFYKSGHCI-UHFFFAOYSA-N",402516,NA,"PDBC28245","716542","Present",NA,NA
+"28246","6-Chloromethyl-N-(1-piperidinyl)-2-oxo-2H-1-benzopyran-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloromethyl-N-(1-piperidinyl)-2-oxo-2H-1-benzopyran-3-carboxamide",NA,"C1CCN(CC1)NC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","QQWIDZJYWDWHGH-UHFFFAOYSA-N",402504,NA,"PDBC28246","716530","Present",NA,NA
+"28247","6-Chloropyridin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-2-pyridone",NA,"C1=CC(=O)NC(=C1)Cl","CLNNBQDAAGDAHI-UHFFFAOYSA-N",85621,NA,"PDBC28247","148331","Present",NA,NA
+"28248","6-Chlorotetrazolo[1,5-b]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chlorotetrazolo[4,5-b]pyridazine",NA,"C1=CC(=NN2C1=NN=N2)Cl","RRBQGBYFXZPPAH-UHFFFAOYSA-N",302231,NA,"PDBC28248","185169","Present",NA,NA
+"28249","6-Chrysenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chrysonex",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)N","KIVUHCNVDWYUNP-UHFFFAOYSA-N",17534,NA,"PDBC28249","80186","Present",NA,NA
+"28250","6-Cl,5-Me-XAA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cl,5-Me-XAA",NA,"CC1=C(C=CC2=C1OC3=C(C=CC=C3C2=O)CC(=O)O)Cl.[Na+]","PTZOMOWGADELDY-UHFFFAOYSA-N",54608155,NA,"PDBC28250","677593","Present",NA,NA
+"28251","6-Cyano-4-[(E)-2-(4-dimethylaminophenyl)vinyl]-1-(4-methoxyphenyl)pyridazin-1-ium-3-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyano-4-[(E)-2-(4-dimethylaminophenyl)vinyl]-1-(4-methoxyphenyl)pyridazin-1-ium-3-sulfonic acid",NA,"CC(=O)[O-].CN(C)C1=CC=C(C=C1)C=CC2=CC(=[N+](N=C2S(=O)(=O)O)C3=CC=C(C=C3)OC)C#N","ZPPDUGCDUYKNFP-UHFFFAOYSA-N",6399984,NA,"PDBC28251","686350","Present",NA,NA
+"28252","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2,4-dichlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 2,4-dichlorobenzoate",NA,"C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=C(C=C(C=C4)Cl)Cl)C(=O)N(C2=S)C5=CC=CC=C5","ZGCXZOHQCDDGQP-UHFFFAOYSA-N",383084,NA,"PDBC28252","671128","Present",NA,NA
+"28253","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 2-furoate",NA,"C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=CO4)C(=O)N(C2=S)C5=CC=CC=C5","VNWBSKARDLRERB-UHFFFAOYSA-N",383087,NA,"PDBC28253","671131","Present",NA,NA
+"28254","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 3,4,5-trimethoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 3,4,5-trimethoxybenzoate",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N","JGRPSOMIIXVADB-UHFFFAOYSA-N",383086,NA,"PDBC28254","671130","Present",NA,NA
+"28255","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-(trifluoromethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidin-5-yl) 4-(trifluoromethyl)benzoate",NA,"C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=C(C=C4)C(F)(F)F)C(=O)N(C2=S)C5=CC=CC=C5","QUBWWRLPDIUNCX-UHFFFAOYSA-N",383089,NA,"PDBC28255","671133","Present",NA,NA
+"28256","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-chlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-chlorobenzoate",NA,"C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=C(C=C4)Cl)C(=O)N(C2=S)C5=CC=CC=C5","MJHQXPJDEXWRQG-UHFFFAOYSA-N",383083,NA,"PDBC28256","671127","Present",NA,NA
+"28257","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl 4-methoxybenzoate",NA,"COC1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N","QCRYBAXUULQSSN-UHFFFAOYSA-N",383085,NA,"PDBC28257","671129","Present",NA,NA
+"28258","6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyano-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidin-5-yl benzoate",NA,"C1=CC=C(C=C1)C(=O)OC2=C(SC3=C2C(=O)N(C(=S)N3C4=CC=CC=C4)C5=CC=CC=C5)C#N","XVMCCKUDBYATMX-UHFFFAOYSA-N",383082,NA,"PDBC28258","671126","Present",NA,NA
+"28259","6-Cyano-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)-6-phenylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyano-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(3-(hydroxy(oxido)amino)phenyl)-6-phenylhexanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CCCC(=O)NC4=CC(=CC=C4)[N+](=O)[O-]","UCQHQOUILVBNLC-MUGXBBEHSA-N",9569985,NA,"PDBC28259","630310","Present",NA,NA
+"28260","6-Cyano-6-(2,6-dichlorophenyl)-N-(2-nitrophenyl)-5-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyano-6-(2,6-dichlorophenyl)-N-(2-nitrophenyl)-5-oxohexanamide",NA,"C1=CC=C(C(=C1)NC(=O)CCCC(=O)C(C#N)C2=C(C=CC=C2Cl)Cl)[N+](=O)[O-]","BSQOMEZZGAUHCQ-UHFFFAOYSA-N",365081,NA,"PDBC28260","632039","Present",NA,NA
+"28261","6-Cyano-N-(2,4-dichlorophenyl)-5-oxo-6-phenylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyano-N-(2,4-dichlorophenyl)-5-oxo-6-phenylhexanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=O)CCCC(=O)NC2=C(C=C(C=C2)Cl)Cl","KPHKFYCDHKKXIP-UHFFFAOYSA-N",364932,NA,"PDBC28261","631818","Present",NA,NA
+"28262","6-Cyano-N-(2,6-dimethylphenyl)-5-oxo-6-phenylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyano-N-(2,6-dimethylphenyl)-5-oxo-6-phenylhexanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C(C#N)C2=CC=CC=C2","UABACJFPWNRKAW-UHFFFAOYSA-N",361452,NA,"PDBC28262","624474","Present",NA,NA
+"28263","6-Cyclohexyl-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-5H-pyrimido[4,5-e][1,4]diazepine-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyclohexyl-3-methyl-2-methylsulfanyl-8-phenyl-8,9-dihydro-5H-pyrimido[4,5-e][1,4]diazepine-4,7-dione",NA,"CN1C(=O)C2=C(NC(C(=O)N(C2)C3CCCCC3)C4=CC=CC=C4)N=C1SC","PLNNVFXVIHTTRK-UHFFFAOYSA-N",54613016,NA,"PDBC28263","749858","Present",NA,NA
+"28264","6-Cyclohexylmethoxypurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-cyclohexylmethoxypurine",NA,"C1CCC(CC1)COC2=NC=NC3=C2NC=N3","ZJSUFVUNHNCHCI-UHFFFAOYSA-N",5329578,NA,"PDBC28264","707618","Present",NA,NA
+"28265","6-Cyclopropyl-9-fluoro-2-oxo-4-phenyl-8-piperazin-1-yl-3,4,5,10b-tetrahydro-1H-pyrimido[5,4-c]quinoline-4a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Cyclopropyl-9-fluoro-2-oxo-4-phenyl-8-piperazin-1-yl-3,4,5,10b-tetrahydro-1H-pyrimido[5,4-c]quinoline-4a-carboxylic acid",NA,"C1CC1N2CC3(C(NC(=O)NC3C4=CC(=C(C=C42)N5CCNCC5)F)C6=CC=CC=C6)C(=O)O","PUEBOHQFHCKTJI-UHFFFAOYSA-N",45027952,NA,"PDBC28265","740251","Present",NA,NA
+"28266","6-Deoxy-Hexose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC287050",NA,"CC1C(C(C(C(O1)O)O)O)O","SHZGCJCMOBCMKK-UHFFFAOYSA-N",840,NA,"PDBC28266","287050","Present",NA,NA
+"28267","6-Deoxypseudoanisatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Deoxypseudoanisatin",NA,"CC1CCC2(C13CC(=O)C34C(=O)C(C2(CO4)C)C)O","JXHZYOVPJZOQIF-NQJPVCRJSA-N",6852268,NA,"PDBC28267","658836","Present",NA,NA
+"28268","6-Des-fluoro TAK-960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAK-960 analog",NA,"CC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=C(C=C(C=C3)C(=O)NC4CCCN(C4)C)OC)C5CCCC5)C","GUZJUGLCMPBJJC-HXUWFJFHSA-N",57969857,NA,"PDBC28268","761759","Present",NA,NA
+"28269","6-Diazo-5-oxo-norleucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazooxonorleucine",NA,"C(CC(=O)C=[N+]=[N-])C(C(=O)O)N","YCWQAMGASJSUIP-UHFFFAOYSA-N",164,NA,"PDBC28269","7365","Present",NA,NA
+"28270","6-Dimethoxy-4-[(3-chlorophenyl)amino]-2-(2-thienyl) quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-dimethoxy-4-[(3-chlorophenyl)amino]-2-(2-thienyl) quin...",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NC4=CC(=CC=C4)Cl)OC","CVTAVAFYPBIYGH-UHFFFAOYSA-N",405775,NA,"PDBC28270","723418","Present",NA,NA
+"28271","6-Dimethoxy-4-[(3-nitrophenyl)amino]-2-(2-thienyl) quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-dimethoxy-4-[(3-nitrophenyl)amino]-2-(2-thienyl) quina...",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NC4=CC(=CC=C4)[N+](=O)[O-])OC","KFQRHWQXZWQVRU-UHFFFAOYSA-N",405777,NA,"PDBC28271","723420","Present",NA,NA
+"28272","6-Dimethylaminonicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nicotinamide, 6-(dimethylamino)-",NA,"CN(C)C1=NC=C(C=C1)C(=O)N","HLUIYGVTAGXCRZ-UHFFFAOYSA-N",96420,NA,"PDBC28272","73291","Present",NA,NA
+"28273","6-Ethoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine",NA,"CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=CC=C3)N)[O-]","CKJUHUTZEWGZCS-UHFFFAOYSA-N",135484666,NA,"PDBC28273","621725","Present",NA,NA
+"28274","6-Ethoxy-2-(3-oxo-5-phenylfuran-2-yl)-4H-1,4-benzothiazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-2-(3-oxo-5-phenyl-2,3-dihydrofuran-2-yl)-2h-1,4-benzothiazin-3(4h)-one",NA,"CCOC1=CC2=C(C=C1)SC(C(=O)N2)C3C(=O)C=C(O3)C4=CC=CC=C4","ORVDMFFAKNGAAC-UHFFFAOYSA-N",404234,NA,"PDBC28274","720413","Present",NA,NA
+"28275","6-Ethoxy-2-(4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-2-(4-hydroxyphenyl)benzothiazole",NA,"CCOC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)O","JULMDIZRXYUITQ-UHFFFAOYSA-N",405003,NA,"PDBC28275","721657","Present",NA,NA
+"28276","6-Ethoxy-3,6-dihydro-2H-pyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-3,6-dihydro-2H-pyran",NA,"CCOC1C=CCCO1","QPSCQKRZWLJYDG-UHFFFAOYSA-N",359256,NA,"PDBC28276","619972","Present",NA,NA
+"28277","6-Ethoxy-3-(4-methylphenyl)sulfonyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-3-(4-methylphenyl)sulfonyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])S(=O)(=O)C3=CC=C(C=C3)C)N)[O-]","VXDQPGFIXOYHLB-UHFFFAOYSA-N",135463934,NA,"PDBC28277","621493","Present",NA,NA
+"28278","6-Ethoxy-3-(4-nitrophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-3-(4-nitrophenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"CCOC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-])N)[O-]","PYHRLWQOQAEQBR-UHFFFAOYSA-N",135503390,NA,"PDBC28278","621729","Present",NA,NA
+"28279","6-Ethoxy-4,9-dimethoxy-7,8-dihydrotetracene-5,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-4,9-dimethoxy-7,8-dihydrotetracene-5,12-dione",NA,"CCOC1=C2CCC(=CC2=CC3=C1C(=O)C4=C(C3=O)C=CC=C4OC)OC","RUKYMOQMFYYFKY-UHFFFAOYSA-N",390045,NA,"PDBC28279","686959","Present",NA,NA
+"28280","6-Ethoxy-8,9-dimethoxy-5-methyl-5,6-dihydrobenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-8,9-dimethoxy-5-methyl-5,6-dihydrobenzo[c]phenanthridine",NA,"CCOC1C2=CC(=C(C=C2C3=C(N1C)C4=CC=CC=C4C=C3)OC)OC","URZDFUIXJZWTKL-UHFFFAOYSA-N",371245,NA,"PDBC28280","645302","Present",NA,NA
+"28281","6-Ethoxy-N-(2-ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-N-(2-ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazin-2-amine",NA,"CCOC1=NC(N=C(O1)NC2=NP(=O)(C(N2C)(C)C)OCC)(C(F)(F)F)C(F)(F)F","FDQZWPOMXYJWTC-UHFFFAOYSA-N",382495,NA,"PDBC28281","670101","Present",NA,NA
+"28282","6-Ethyl 8-methyl 7-(3-chlorophenyl)-5,8a-dimethyl-2,3,8,8a-tetrahydro-7H-[1,3]oxazolo[3,2-a]pyridine-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-O-Ethyl 8-O-methyl 7-(3-chlorophenyl)-5,8a-dimethyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridine-6,8-dicarboxylate",NA,"CCOC(=O)C1=C(N2CCOC2(C(C1C3=CC(=CC=C3)Cl)C(=O)OC)C)C","SXTPDZQSMBLNMP-UHFFFAOYSA-N",374627,NA,"PDBC28282","652595","Present",NA,NA
+"28283","6-Ethyl-13-[3-[(2-methoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-ethyl-7-(3-((2-methoxybenzyl)amino)propyl)benzo[lmn][3...",NA,"CCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC5=CC=CC=C5OC)C1=O","GKOZHRWNYBXUMS-UHFFFAOYSA-N",155806567,NA,"PDBC28283","773148","Present",NA,NA
+"28284","6-Ethyl-13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene",NA,"CCN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC","ZXGMRSBNUCIYJJ-UHFFFAOYSA-N",377152,NA,"PDBC28284","658354","Present",NA,NA
+"28285","6-Ethyl-2,5,11-trimethylpyrido[4,3-b]carbazol-2-ium-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carba...",NA,"CCN1C2=C(C=C(C=C2)O)C3=C1C(=C4C=C[N+](=CC4=C3C)C)C","NBLRCYIHDRMHBO-UHFFFAOYSA-O",155810393,NA,"PDBC28285","785690","Present",NA,NA
+"28286","6-Ethyl-2-(4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-2-(4-hydroxyphenyl)benzothiazole",NA,"CCC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)O","UCEZTXXRIXTZME-UHFFFAOYSA-N",405004,NA,"PDBC28286","721658","Present",NA,NA
+"28287","6-Ethyl-2-(methylthio)-4-phenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-2-(methylthio)-4-phenyl-5-thioxo-5,6-dihydro[1,3]thiazolo[5,4-d]pyrimidin-7(4H)-one",NA,"CCN1C(=O)C2=C(N(C1=S)C3=CC=CC=C3)SC(=N2)SC","HZFYBHISWNNBOE-UHFFFAOYSA-N",383353,NA,"PDBC28287","671467","Present",NA,NA
+"28288","6-Ethyl-2-(methylthio)-4-phenyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-2-(methylthio)-4-phenyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione",NA,"CCN1C(=O)C2=C(N(C1=O)C3=CC=CC=C3)SC(=N2)SC","MGLIXODYKDEGEB-UHFFFAOYSA-N",383354,NA,"PDBC28288","671468","Present",NA,NA
+"28289","6-Ethyl-3,3-dimethyl-4-oxa-1,2a,5,6-tetraazacyclopenta[cd]inden-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethyl-5,5-dimethyl-6-oxa-2,4,8,9-tetrazatricyclo[5.3.1.04,11]undeca-1(11),2,7-trien-10-one",NA,"CCN1C(=O)C2=C3C(=N1)OC(N3C=N2)(C)C","ZASBWXKZSBTFMY-UHFFFAOYSA-N",394433,NA,"PDBC28289","697885","Present",NA,NA
+"28290","6-Ethyl-5,11-dimethyl-2-octadecylpyrido[4,3-b]carbazol-2-ium-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-9-hydroxy-5,11-dimethyl-2-octadecyl-6H-pyrido[4,...",NA,"CCCCCCCCCCCCCCCCCC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)N(C4=C3C=C(C=C4)O)CC)C","MDKAMXYNZUPXRL-UHFFFAOYSA-O",155812165,NA,"PDBC28290","785689","Present",NA,NA
+"28291","6-Ethyl-5,11-dimethyl-2-tetradecylpyrido[4,3-b]carbazol-2-ium-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-9-hydroxy-5,11-dimethyl-2-tetradecyl-6H-pyrido[4...",NA,"CCCCCCCCCCCCCC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)N(C4=C3C=C(C=C4)O)CC)C","HRRGDZJIKQYAFA-UHFFFAOYSA-O",155806996,NA,"PDBC28291","790093","Present",NA,NA
+"28292","6-Ethyl-5-(3-hydroxybenzotriazol-5-yl)pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-5-(3-hydroxybenzotriazol-5-yl)pyrimidine-2,4-diamine",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N=NN3O","BLZRHAHPFSQXKH-UHFFFAOYSA-N",343102,NA,"PDBC28292","382055","Present",NA,NA
+"28293","6-Ethyl-5-[1-(2-phenylethyl)benzotriazol-5-yl]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-5-[1-(2-phenylethyl)benzotriazol-5-yl]pyrimidine-2,4-diamine",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC3=C(C=C2)N(N=N3)CCC4=CC=CC=C4","QZJSMKNWPAJWQB-UHFFFAOYSA-N",343101,NA,"PDBC28293","382053","Present",NA,NA
+"28294","6-Ethyl-5-[3-[2-methyl-7-(2-methylpyridin-4-yl)-1,3-benzoxazol-5-yl]but-1-ynyl]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-ethyl-5-(3-(2-methyl-7-(2-methylpyridin-4-yl)benzo[d]o...",NA,"CCC1=C(C(=NC(=N1)N)N)C#CC(C)C2=CC(=C3C(=C2)N=C(O3)C)C4=CC(=NC=C4)C","AQVXAJHYIYOFEV-UHFFFAOYSA-N",155813588,NA,"PDBC28294","794221","Present",NA,NA
+"28295","6-Ethyl-5-[4-(methylamino)-3-nitrophenyl]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrimidinediamine, 6-ethyl-5-[4-(methylamino)- 3-nit...",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NC)[N+](=O)[O-]","UEBWOKUSTFIFOC-UHFFFAOYSA-N",4602007,NA,"PDBC28295","382034","Present",NA,NA
+"28296","6-Ethyl-6-nitro-bicyclo[2.2.1]hept-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyl-6-nitro-bicyclo[2.2.1]hept-2-ene",NA,"CCC1(CC2CC1C=C2)[N+](=O)[O-].CCC1(CC2CC1C=C2)[N+](=O)[O-]","JTRNDHUPQHNEGP-UHFFFAOYSA-N",260721,NA,"PDBC28296","92378","Present",NA,NA
+"28297","6-Ethyl-6-phenylpyrrolo[2,1-d][1,5]benzothiazepin-7(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-5-phenyl-6-thia-10b-aza-benzo[e]azulen-4-one",NA,"CCC1(C(=O)C2=CC=CN2C3=CC=CC=C3S1)C4=CC=CC=C4","RRYRKNNNMOVSRI-UHFFFAOYSA-N",378551,NA,"PDBC28297","661186","Present",NA,NA
+"28298","6-Ethylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethylcoumarin",NA,"CCC1=CC2=C(C=C1)OC(=O)C=C2","SBZIILXFKTXDCJ-UHFFFAOYSA-N",96435,NA,"PDBC28298","74487","Present",NA,NA
+"28299","6-Ethylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethylmercapto-4-(2'-hydroxybenzylidene amino)pyrazolo[...",NA,"CCSC1=NC2=C(C=NN2)C(=N1)N=CC3=CC=CC=C3O","LPSQXNMAXSXJPU-UHFFFAOYSA-N",406692,NA,"PDBC28299","724957","Present",NA,NA
+"28300","6-Ethylmercapto-4-(2'-thienylidine amino)pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethylmercapto-4-(2'-thienylidine amino)pyrazolo[3,4-d]...",NA,"CCSC1=NC2=C(C=NN2)C(=N1)N=CC3=CC=CS3","OELFOZLSIRKZST-UHFFFAOYSA-N",406690,NA,"PDBC28300","724955","Present",NA,NA
+"28301","6-Ethyloctadecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethyloctadecanoic acid",NA,"CCCCCCCCCCCCC(CC)CCCCC(=O)O","OUOJKSCAHHOPME-UHFFFAOYSA-N",361940,NA,"PDBC28301","625424","Present",NA,NA
+"28302","6-Ethylsulfanyl-4-methyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethylsulfanyl-4-methyl-8-thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaene",NA,"CCSC1=NC(=NC2=C1SC3=NC4=CC=CC=C4N23)C","YCGGIQJFQUBNCZ-UHFFFAOYSA-N",390469,NA,"PDBC28302","687828","Present",NA,NA
+"28303","6-Ethylthio-1-hydroxymethyl-4-(1-methylbenzyl)aminopyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethylthio-1-hydroxymethyl-4-(1-methylbenzyl)aminopyraz...",NA,"CCSC1=NC(=C2C=NN(C2=N1)CO)NC(C)C3=CC=CC=C3","OTORGZMUGNAEOC-UHFFFAOYSA-N",406130,NA,"PDBC28303","724129","Present",NA,NA
+"28304","6-Ethylthio-1-hydroxymethyl-4-thienylidenehydrazino pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethylthio-1-hydroxymethyl-4-thienylidenehydrazino pyra...",NA,"CCSC1=NC(=C2C=NN(C2=N1)CO)NN=CC3=CC=CS3","ZGLGROHLZGHDDU-MKMNVTDBSA-N",9572681,NA,"PDBC28304","724130","Present",NA,NA
+"28305","6-Ethylthio-4-morpholinopyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethylthio-4-morpholinopyrazolo[3,4-d]pyrimidine",NA,"CCSC1=NC2=C(C=NN2)C(=N1)N3CCOCC3","UYOOKYLKIQRJKB-UHFFFAOYSA-N",405595,NA,"PDBC28305","722962","Present",NA,NA
+"28306","6-Ethylthio-4-piperidino pyrazolo[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethylthio-4-piperidino pyrazolo[3,4-d]pyrimidine",NA,"CCSC1=NC2=C(C=NN2)C(=N1)N3CCCCC3","ANMNQHIOWOXHLM-UHFFFAOYSA-N",405594,NA,"PDBC28306","722961","Present",NA,NA
+"28307","6-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Fluoro-2-(4-amino-3-cyanophenyl)benzothiazole",NA,"C1=CC(=C(C=C1C2=NC3=C(S2)C=C(C=C3)F)C#N)N","YSVLLPHICCNENQ-UHFFFAOYSA-N",404145,NA,"PDBC28307","720284","Present",NA,NA
+"28308","6-Fluoro-2-(4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Fluoro-2-(4-hydroxyphenyl)benzothiazole",NA,"C1=CC(=CC=C1C2=NC3=C(S2)C=C(C=C3)F)O","UNIRBRVDTSZVDL-UHFFFAOYSA-N",404998,NA,"PDBC28308","721652","Present",NA,NA
+"28309","6-Fluoro-2-[3-(3,4,5-trimethoxyphenyl)-1H-pyrazole-5-yl]-1H-benzoimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)-...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NNC(=C2)C3=NC4=C(N3)C=C(C=C4)F","AWWHFLRMXILONY-UHFFFAOYSA-N",136929765,NA,"PDBC28309","768406","Present",NA,NA
+"28310","6-Fluoro-2-[4-[5-(4-fluoro-3-methoxyphenyl)imidazol-1-yl]phenyl]-1,3-benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-fluoro-5-1-[4-(6-fluoro-1,3-benzothiazol-2-yl)phenyl]-...",NA,"COC1=C(C=CC(=C1)C2=CN=CN2C3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)F)F","MUAIDSSWNDHVJO-UHFFFAOYSA-N",60147633,NA,"PDBC28310","751898","Present",NA,NA
+"28311","6-Fluoro-3-(3-fluorophenyl)-2H-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Fluoro-3-(3-fluorophenyl)isoquinolin-1(2H)-one",NA,"C1=CC(=CC(=C1)F)C2=CC3=C(C=CC(=C3)F)C(=O)N2","ALUOVSMIKCVEQC-UHFFFAOYSA-N",155810671,NA,"PDBC28311","795055","Present",NA,NA
+"28312","6-Fluoro-4-nitroisobenzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Fluoro-4-nitroisobenzofuran-1(3H)-one",NA,"C1C2=C(C=C(C=C2[N+](=O)[O-])F)C(=O)O1","JBLFHMWQMPVDDL-UHFFFAOYSA-N",57519176,NA,"PDBC28312","765864","Present",NA,NA
+"28313","6-Fluoro-DL-tryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"f7626",NA,"C1=CC2=C(C=C1F)NC=C2CC(C(=O)O)N","YMEXGEAJNZRQEH-UHFFFAOYSA-N",94937,NA,"PDBC28313","9364","Present",NA,NA
+"28314","6-Fluoroisatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Fluoroisatin",NA,"C1=CC2=C(C=C1F)NC(=O)C2=O","CWVFOAVBTUHQCZ-UHFFFAOYSA-N",373905,NA,"PDBC28314","650911","Present",NA,NA
+"28315","6-Fluoroquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FS-3756",NA,"C1=CC2=CC(=CC(=C2N=C1)O)F","SCUWALYGODIPCH-UHFFFAOYSA-N",384160,NA,"PDBC28315","673450","Present",NA,NA
+"28316","6-Fluorospiro[bicyclo[3.3.1]nonane-3,2'-oxirane]-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Fluorospiro[bicyclo[3.3.1]nonane-7,2'-oxirane]-3-one",NA,"C1C2CC(=O)C(C1CC3(C2)CO3)F","WLRJSFXNNIUPSO-UHFFFAOYSA-N",395354,NA,"PDBC28316","699836","Present",NA,NA
+"28317","6-Formylphenoxathiine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Formylphenoxathiine-4-carboxylic acid",NA,"C1=CC(=C2C(=C1)SC3=CC=CC(=C3O2)C(=O)O)C=O","XBUGQKGMWIEKPS-UHFFFAOYSA-N",338202,NA,"PDBC28317","359565","Present",NA,NA
+"28318","6-Guanidino-2-(p-tolylsulfonylcarbamoylamino)hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Guanidino-2-(p-tolylsulfonylcarbamoylamino)hexanoic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC(CCCCN=C(N)N)C(=O)O","JRDPWGBJEXONCV-UHFFFAOYSA-N",396493,NA,"PDBC28318","702677","Present",NA,NA
+"28319","6-Hex-5-enyl-5,11-dimethylpyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(5-Hexen-1-yl)ellipticine",NA,"CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCC=C)C","BNUXJBKHBGXWGI-UHFFFAOYSA-N",294454,NA,"PDBC28319","162907","Present",NA,NA
+"28320","6-Hexyl-3-(4-methylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-hexyl-3-p-tolyl-[1,2,4]triazolo[3,4-b][1,3,4] thiadiazole",NA,"CCCCCCC1=NN2C(=NN=C2S1)C3=CC=C(C=C3)C","IZERZIZUPOHRRO-UHFFFAOYSA-N",395129,NA,"PDBC28320","699420","Present",NA,NA
+"28321","6-Hexyl-3-(4-pyridinyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hexyl-3-(pyridin-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]th...",NA,"CCCCCCC1=NN2C(=NN=C2S1)C3=CC=NC=C3","YUPUNXFKGFVUSA-UHFFFAOYSA-N",379470,NA,"PDBC28321","664024","Present",NA,NA
+"28322","6-Hexyl-7-(3-((6-hexyl-3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-3,4-dimethyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hexyl-7-(3-((6-hexyl-3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-3,4-dimethyl-2H-chromen-2-one",NA,"CCCCCCC1=CC2=C(C=C1OCCCOC3=CC4=C(C=C3CCCCCC)C(=C(C(=O)O4)C)C)OC(=O)C(=C2C)C","SOQPZVUPJNSUJG-UHFFFAOYSA-N",375236,NA,"PDBC28322","654625","Present",NA,NA
+"28323","6-Hexyl-7-hydroxy-2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hexyl-7-hydroxy-2-imino-N-[3-(trifluoromethyl)phenyl]chromene-3-carboxamide",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O","LTVWRMGDSCZKEP-UHFFFAOYSA-N",135426702,NA,"PDBC28323","709580","Present",NA,NA
+"28324","6-Hexyl-7-hydroxy-3-[2-(4-methoxyphenyl)thiazol-4-yl]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hexyl-7-hydroxy-3-[2-(4-methoxyphenyl)thiazol-4-yl]chromen-2-one",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC=C(C=C4)OC)O","TVVUAZIQQXSKBU-UHFFFAOYSA-N",5466313,NA,"PDBC28324","684995","Present",NA,NA
+"28325","6-Hexyl-7-hydroxy-3-imidazo[1,2-a]pyridin-2-ylchromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-2-one, 6-hexyl-7-hydroxy-3-(imidazo[1,2-...",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CC=CC4=N3)O","GYNSVGHBPJEPRB-UHFFFAOYSA-N",5470855,NA,"PDBC28325","705895","Present",NA,NA
+"28326","6-Hexylsulfanyl-7H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hexylsulfanyl-7H-purin-2-amine",NA,"CCCCCCSC1=NC(=NC2=C1NC=N2)N","HHVNOIXEDWFLKN-UHFFFAOYSA-N",3581648,NA,"PDBC28326","35863","Present",NA,NA
+"28327","6-Hydrazino-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydrazino-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"CC1=NN=C2N1N=C(S2)NN","MNYUOPLMNNYIFQ-UHFFFAOYSA-N",383495,NA,"PDBC28327","671880","Present",NA,NA
+"28328","6-Hydrazinopurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-hydrazinopurine",NA,"C1=NC2=C(N1)C(=NC=N2)NN","IUEISQYNCXVHTJ-UHFFFAOYSA-N",94902,NA,"PDBC28328","7354","Present",NA,NA
+"28329","6-Hydrazinyl-4-methyl-2H-pyrazolo[3,4-b]pyridin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrazolo[3,4-b]pyridin-6-one, 3-amino-1,7-dihydro-4-m...",NA,"CC1=CC(=NC2=NNC(=C12)N)NN","BCPYCDPJIBVREO-UHFFFAOYSA-N",334849,NA,"PDBC28329","341970","Present",NA,NA
+"28330","6-Hydroxy-1'-methyl-spiro[cyclohexene-3,3'-indoline]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one",NA,"CN1C2=CC=CC=C2C3(C1=O)CCC(C=C3)O","SBHKAPKPPWQRCN-UHFFFAOYSA-N",393184,NA,"PDBC28330","694672","Present",NA,NA
+"28331","6-Hydroxy-1-methyl-4-oxo-2-sulfanylidene-N-thiophen-2-ylpyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-1-methyl-4-oxo-2-sulfanylidene-N-thiophen-2-ylpyrimidine-5-carboxamide",NA,"CN1C(=C(C(=O)NC1=S)C(=O)NC2=CC=CS2)O","JXHMFPFBBSIKBH-UHFFFAOYSA-N",3633572,NA,"PDBC28331","645841","Present",NA,NA
+"28332","6-Hydroxy-2,2a,3,4-tetrahydro-5H-naphtho[1,8-bc]furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-2,2a,3,4-tetrahydro-5H-naphtho[1,8-bc]furan-5-one",NA,"C1CC(=O)C2=C(C=CC3=C2C1CO3)O","WOBVNCFUNRKOBY-UHFFFAOYSA-N",361583,NA,"PDBC28332","624764","Present",NA,NA
+"28333","6-Hydroxy-2,3,10-trimethoxy-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6H-chromeno[3,4-b]chromen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-2,3,10-trimethoxy-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6H-chromeno[3,4-b]chromen-12-one",NA,"COC1=C(C=C2C(=C1)C3=C(C(O2)O)OC4=CC(=C(C=C4C3=O)OC)OC5C(C(C(C(O5)CO)O)O)O)OC","TUVVGDZRISSBCL-UHFFFAOYSA-N",397342,NA,"PDBC28333","704945","Present",NA,NA
+"28334","6-Hydroxy-2-benzoxazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000107",NA,"C1=CC2=C(C=C1O)OC(=O)N2","XIYXDPMPFOQCFW-UHFFFAOYSA-N",157167,NA,"PDBC28334","603719","Present",NA,NA
+"28335","6-Hydroxy-2-methyl-3,7-diphenyl-1,2-thiazepin-5(2H)-one 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-2-methyl-3,7-diphenyl-1,2-thiazepin-5(2H)-one 1,1-dioxide",NA,"CN1C(=CC(=O)C(=C(S1(=O)=O)C2=CC=CC=C2)O)C3=CC=CC=C3","OMCOLMIJASJREH-UHFFFAOYSA-N",381884,NA,"PDBC28335","669147","Present",NA,NA
+"28336","6-Hydroxy-2-nitro-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-2-nitro-5a,6-dihydro-5H-indolo[2,1-b]quinazolin-12-one",NA,"C1=CC=C2C(=C1)C(C3N2C(=O)C4=C(N3)C=CC(=C4)[N+](=O)[O-])O","CBCYLHGYMCGJGE-UHFFFAOYSA-N",396708,NA,"PDBC28336","703317","Present",NA,NA
+"28337","6-Hydroxy-2-phenylpyridazin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC163341",NA,"C1=CC=C(C=C1)N2C(=O)C=CC(=O)N2","KJEBAQNNTMWJJI-UHFFFAOYSA-N",74333,NA,"PDBC28337","163341","Present",NA,NA
+"28338","6-Hydroxy-3,3,11,12-tetramethyl-pyrano[2,3-c]acridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-3,3,11,12-tetramethyl-pyrano[2,3-c]acridin-7-one",NA,"CC1=C2C(=CC=C1)C(=O)C3=C(N2C)C4=C(C=C3O)OC(C=C4)(C)C","MGXACOZTGFYFIT-UHFFFAOYSA-N",5465763,NA,"PDBC28338","660813","Present",NA,NA
+"28339","6-Hydroxy-3,3,8,12-tetramethyl-pyrano[2,3-c]acridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-3,3,8,12-tetramethyl-pyrano[2,3-c]acridin-7-one",NA,"CC1=C2C(=CC=C1)N(C3=C(C2=O)C(=CC4=C3C=CC(O4)(C)C)O)C","CSYSIDMKPSHLMD-UHFFFAOYSA-N",5465762,NA,"PDBC28339","660812","Present",NA,NA
+"28340","6-Hydroxy-3,5,7-trimethoxy-3',4'-methylenedioxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-3,5,7-trimethoxy-3',4'-methylenedioxyflavone",NA,"COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)OC)O","LJRHCSDSZAWZEF-UHFFFAOYSA-N",386327,NA,"PDBC28340","678103","Present",NA,NA
+"28341","6-Hydroxy-3-(((4-methylphenyl)sulfonyl)hydrazono)-2-oxo-5-indolinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-3-(((4-methylphenyl)sulfonyl)hydrazono)-2-oxo-5-indolinecarboxylic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=NC2=C(NC3=CC(=C(C=C32)C(=O)O)O)O","CNYSWCSGWRTVAP-UHFFFAOYSA-N",255981,NA,"PDBC28341","82147","Present",NA,NA
+"28342","6-Hydroxy-3-((methanesulfonyloxy)methyl)-1-((5,6,7-trimethoxyindol-2-yl)carbonyl)indoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-3-((methanesulfonyloxy)methyl)-1-((5,6,7- trim...",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)O)COS(=O)(=O)C)OC)OC","SXQWVORVQPQIJG-UHFFFAOYSA-N",386018,NA,"PDBC28342","677587","Present",NA,NA
+"28343","6-Hydroxy-3-[2-(6-hydroxy-2-methylchromen-2-yl)ethyl]-2,4-dimethylbenzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-3-[2-(6-hydroxy-2-methyl-2h-chromen-2-yl)ethyl]-2,4-dimethylbenzaldehyde",NA,"CC1=CC(=C(C(=C1CCC2(C=CC3=C(O2)C=CC(=C3)O)C)C)C=O)O","HXHCCUWOGMBIRD-UHFFFAOYSA-N",374393,NA,"PDBC28343","652097","Present",NA,NA
+"28344","6-Hydroxy-3-imino-4-oxo-5-(p-tolyl)-1,2-dihydropyrazolo[4,3-c]pyridine-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4,6-dioxo-5-(p-tolyl)-1,2-dihydropyrazolo[3,4-d]pyridine-7-carbonitrile",NA,"CC1=CC=C(C=C1)N2C(=C3C(=C(C2=O)C#N)NN=C3N)O","DBSLZDQNZMMQMJ-UHFFFAOYSA-N",135478551,NA,"PDBC28344","692031","Present",NA,NA
+"28345","6-Hydroxy-3-imino-4-oxo-5-phenyl-1,2-dihydropyrazolo[4,3-c]pyridine-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-4,6-dioxo-5-phenyl-1,2-dihydropyrazolo[3,4-d]pyridine-7-carbonitrile",NA,"C1=CC=C(C=C1)N2C(=C3C(=C(C2=O)C#N)NN=C3N)O","KSUZHGXRLCVEPW-UHFFFAOYSA-N",135489892,NA,"PDBC28345","692006","Present",NA,NA
+"28346","6-Hydroxy-3-methoxy-4-phenylbenzo[4,3-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-3-methoxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine",NA,"COC1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O","MVQYJJBKEKHCBP-UHFFFAOYSA-N",406462,NA,"PDBC28346","724553","Present",NA,NA
+"28347","6-Hydroxy-3-methoxybenzene-1,2-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-23553",NA,"COC1=C(C(=C(C=C1)O)C#N)C#N","DEDIVRYSGQHFIA-UHFFFAOYSA-N",358343,NA,"PDBC28347","618308","Present",NA,NA
+"28348","6-Hydroxy-3-methyl-4-(methylthio)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-3-methyl-4-(methylthio)-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile",NA,"CC1=C2C(=C(C(=O)NC2=NN1)C#N)SC","CVRKZYGZRIOSTB-UHFFFAOYSA-N",135489894,NA,"PDBC28348","692019","Present",NA,NA
+"28349","6-Hydroxy-4-methyl-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-4-methyl-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one",NA,"CC1=C2C(=NC(=O)N1)NNC2=O","GWIXTZMKYYXKOQ-UHFFFAOYSA-N",361699,NA,"PDBC28349","624942","Present",NA,NA
+"28350","6-Hydroxy-4-oxo-2-sulfanylidene-N-thiophen-2-yl-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-4-oxo-2-sulfanylidene-N-thiophen-2-yl-1H-pyrimidine-5-carboxamide",NA,"C1=CSC(=C1)NC(=O)C2=C(NC(=S)NC2=O)O","FMEGFTSXHMTNRB-UHFFFAOYSA-N",3778119,NA,"PDBC28350","645840","Present",NA,NA
+"28351","6-Hydroxy-4-oxo-N-pentyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-4-oxo-N-pentyl-2-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,"CCCCCNC(=O)C1=C(NC(=S)NC1=O)O","IQFXFVTWZRTQQM-UHFFFAOYSA-N",5135334,NA,"PDBC28351","645843","Present",NA,NA
+"28352","6-Hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-5,6-dihydrocyclopenta[c]thiophen-4-one",NA,"C1C(C2=CSC=C2C1=O)O","KPPIJOJWKKAXMM-UHFFFAOYSA-N",398916,NA,"PDBC28352","709150","Present",NA,NA
+"28353","6-Hydroxy-5-(hydroxymethyl)tetrahydrofuro[2,3-d][1,3]oxazol-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650211///NSC651735///NSC651739",NA,"C(C1C(C2C(O1)NC(=O)O2)O)O","JHLJBMKXTOOGCW-UHFFFAOYSA-N",373606,NA,"PDBC28353","650211///651735///651739","Present",NA,NA
+"28354","6-Hydroxy-5-[(Z)-(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1H-pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-5-[(Z)-(5-methoxyindol-3-ylidene)methyl]-2-sulfanylidene-1H-pyrimidin-4-one",NA,"COC1=CC2=C(C=C1)N=CC2=CC3=C(NC(=S)NC3=O)O","GIHGEDZBBDDDGM-QPJJXVBHSA-N",135426731,NA,"PDBC28354","713072","Present",NA,NA
+"28355","6-Hydroxy-5-[N-[2-[[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-phenylprop-2-enylidene]amino]ethyl]-C-[(E)-2-phenylethenyl]carbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-5-[N-[2-[[(E)-1-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-phenylprop-2-enylidene]amino]ethyl]-C-[(E)-2-phenylethenyl]carbonimidoyl]-1,3-dimethylpyrimidine-2,4-dione",NA,"CN1C(=C(C(=O)N(C1=O)C)C(=NCCN=C(C=CC2=CC=CC=C2)C3=C(N(C(=O)N(C3=O)C)C)O)C=CC4=CC=CC=C4)O","JPQBCMUCZPVWJB-RVMWAQHDSA-N",135844955,NA,"PDBC28355","741263","Present",NA,NA
+"28356","6-Hydroxy-5-methanimidoyl-1,3-bis(4-methylphenyl)pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-5-methanimidoyl-1,3-bis(4-methylphenyl)pyrimidine-2,4-dione",NA,"CC1=CC=C(C=C1)N2C(=C(C(=O)N(C2=O)C3=CC=C(C=C3)C)C=N)O","PJLFEVRBRDMZLI-UHFFFAOYSA-N",290555,NA,"PDBC28356","154585","Present",NA,NA
+"28357","6-Hydroxy-6-(hydroxymethyl)-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(2,3,4-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-6-(hydroxymethyl)-8-(2,3,4-trimethoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(2,3,4-trimethoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hex",NA,"COC1=C(C(=C(C=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O)OC)OC.COC1=C(C(=C(C=C1)C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O)OC)OC","AGKIJFBXUZTRHR-UHFFFAOYSA-N",359119,NA,"PDBC28357","619695","Present",NA,NA
+"28358","6-Hydroxy-6-(hydroxymethyl)-8-(2-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(2-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-6-(hydroxymethyl)-8-(2-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(2-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,",NA,"COC1=CC=CC=C1C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O.COC1=CC=CC=C1C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O","SBNBZTOOZNASOG-UHFFFAOYSA-N",359113,NA,"PDBC28358","619693","Present",NA,NA
+"28359","6-Hydroxy-6-(hydroxymethyl)-8-(3-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-6-(hydroxymethyl)-8-(3-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,",NA,"COC1=CC=CC(=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O.COC1=CC=CC(=C1)C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O","LQLBFIQVJBDVGM-UHFFFAOYSA-N",359122,NA,"PDBC28359","619696","Present",NA,NA
+"28360","6-Hydroxy-6-(hydroxymethyl)-8-(4-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(4-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-6-(hydroxymethyl)-8-(4-methoxyphenyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;3-hydroxy-8-(4-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,",NA,"COC1=CC=C(C=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O.COC1=CC=C(C=C1)C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O","XKOVVAVLWBRJTO-UHFFFAOYSA-N",359125,NA,"PDBC28360","619697","Present",NA,NA
+"28361","6-Hydroxy-6-phenyl-2,3-dihydroimidazo[2,1-a]isoquinolin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-6-phenyl-2,3-dihydroimidazo[2,1-a]isoquinolin-5-one",NA,"C1CN2C(=N1)C3=CC=CC=C3C(C2=O)(C4=CC=CC=C4)O","JTMVPRDEFVWZOD-UHFFFAOYSA-N",395629,NA,"PDBC28361","700413","Present",NA,NA
+"28362","6-Hydroxy-7,7,8-trimethyl-9-oxido-6-aza-9-azoniaspiro[4.4]non-8-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,3-Trimethyl-1,4-diazaspiro[4.4]non-3-en-1-ol 4-oxide",NA,"CC1=[N+](C2(CCCC2)N(C1(C)C)O)[O-]","GIWGQHFTMVSPJT-UHFFFAOYSA-N",379386,NA,"PDBC28362","663928","Present",NA,NA
+"28363","6-Hydroxy-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carboxylic acid",NA,"CC1=C(OC2=C1C=CC(=C2C(=O)C=CC3=CC=C(C=C3)OC)O)C(=O)O","LGYOKTRPAONLPY-WEVVVXLNSA-N",24203464,NA,"PDBC28363","728185","Present",NA,NA
+"28364","6-Hydroxy-7-methoxy-4-methyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-7-methoxy-6-hydroxycoumarin",NA,"CC1=CC(=O)OC2=CC(=C(C=C12)O)OC","XICLZVQOVIQOBV-UHFFFAOYSA-N",238946,NA,"PDBC28364","43567","Present",NA,NA
+"28365","6-Hydroxy-8,8-dimethylbicyclo[3.2.1]octan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"exo-8,8-Dimethyl-6-hydroxybicyclo[3.2.1]octan-2-one",NA,"CC1(C2CCC(=O)C1CC2O)C","YIQLJMHABDPHNX-UHFFFAOYSA-N",376780,NA,"PDBC28365","657840","Present",NA,NA
+"28366","6-Hydroxy-8-methoxy-11,12-dihydrobenzo[c]phenanthridine-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-8-methoxy-11,12-dihydrobenzo[c]phenanthridine-7-carboxylic acid",NA,"COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4CC3)NC2=O)C(=O)O","QRRGROMTBZODEN-UHFFFAOYSA-N",373163,NA,"PDBC28366","649106","Present",NA,NA
+"28367","6-Hydroxy-N-[1-(4-nitrophenyl)ethyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-N-[1-(4-nitrophenyl)ethyl]-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,"CC(C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=C(NC(=S)NC2=O)O","RZWVAQLXSOVABQ-UHFFFAOYSA-N",3610427,NA,"PDBC28367","684574","Present",NA,NA
+"28368","6-Hydroxycarvone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxycarvone",NA,"CC1=C(CC(CC1=O)C(=C)C)O","XPEAPCMHDFIXFL-UHFFFAOYSA-N",380816,NA,"PDBC28368","666537","Present",NA,NA
+"28369","6-Hydroxyhexan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxyhexan-2-one",NA,"CC(=O)CCCCO","UALYCKSVHDYQRP-UHFFFAOYSA-N",89077,NA,"PDBC28369","620043","Present",NA,NA
+"28370","6-Hydroxyhexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxyhexanoate",NA,"C(CCC(=O)O)CCO","IWHLYPDWHHPVAA-UHFFFAOYSA-N",14490,NA,"PDBC28370","617319","Present",NA,NA
+"28371","6-Hydroxyundulatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxyundulatine",NA,"COC1CC2C3(CCN2C(C4=C(C5=C(C=C43)OCO5)OC)O)C6C1O6","MSOASAXKAHRWRY-IAWQIDCUSA-N",399203,NA,"PDBC28371","709876","Present",NA,NA
+"28372","6-Imino-1-methyl-3-phenyl-2,6-dihydro-5(1H)-quinolinone hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Imino-1-methyl-3-phenyl-2,6-dihydro-5(1H)-quinolinone hydrazone",NA,"CN1CC(=CC2=C1C=CC(=C2N=N)N)C3=CC=CC=C3","VZQKWRKRDCBNCA-UHFFFAOYSA-N",382414,NA,"PDBC28372","669977","Present",NA,NA
+"28373","6-Imino-8,8-dimethoxy-2,5-dimethyl-3,4,7,8-tetrahydropyrrolo[3',4':3,4]cyclopenta[1,2-e][1,2,4]triazine-5a,8a(2H,6H)-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-3,3-dimethoxy-7,11-dimethyl-4,9,11,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),4,7-triene-2,6-dicarbonitrile",NA,"CC1=C2C(=NN(CN2)C)C3(C1(C(=NC3(OC)OC)N)C#N)C#N","GYTUDPBMNMNPHH-UHFFFAOYSA-N",387780,NA,"PDBC28373","681853","Present",NA,NA
+"28374","6-Iodo-3-(4-((2,5-thiazolylamino)sulfonyl)phenyl)-2-(2-thien yl)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Iodo-3-(4-((2,5-thiazolylamino)sulfonyl)phenyl)-2-(2-t...",NA,"C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=O)N2C4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5","FLAGAYDJLSVKJZ-UHFFFAOYSA-N",404721,NA,"PDBC28374","721192","Present",NA,NA
+"28375","6-Iodo-3-(phenylamino)-2-(2-thieny)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Iodo-3-(phenylamino)-2-(2-thieny)-3H-quinazolin-4-one",NA,"C1=CC=C(C=C1)NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4","BKWSKDPJKODCJX-UHFFFAOYSA-N",404725,NA,"PDBC28375","721196","Present",NA,NA
+"28376","6-Isopropyl-2,2,9-trimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[2-(Tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]acetic acid",NA,"CC(C)C(C(=O)NC(C)C(=O)NCC(=O)O)NC(=O)OC(C)(C)C","DEDJFQPRIGXGEH-UHFFFAOYSA-N",381445,NA,"PDBC28376","668033","Present",NA,NA
+"28377","6-Isovanillylcatalpol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Isovanillylcatalpol",NA,"COC1=C(C=C(C=C1)C(=O)OC2C3C=COC(C3C4(C2O4)CO)OC5C(C(C(C(O5)CO)O)O)O)O","DSVKJARKMOAAKJ-APONKLOXSA-N",11969971,NA,"PDBC28377","645270","Present",NA,NA
+"28378","6-Keto stearic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lactarinic acid",NA,"CCCCCCCCCCCCC(=O)CCCCC(=O)O","QZLYZQUYIQGGOQ-UHFFFAOYSA-N",361939,NA,"PDBC28378","625423","Present",NA,NA
+"28379","6-Mercapto-9-(propargyloxymethyl) purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Mercapto-9-(propargyloxymethyl) purine",NA,"C#CCOCN1C=NC2=C1NC=NC2=S","BPYNYJRQOWSNMV-UHFFFAOYSA-N",3004163,NA,"PDBC28379","633667","Present",NA,NA
+"28380","6-Methoxy-1,4-dimethyl-3-nitro-9H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-1,4-dimethyl-3-nitro-9H-carbazole",NA,"CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)OC)C)[N+](=O)[O-]","VBEOXLVPNMQASP-UHFFFAOYSA-N",374128,NA,"PDBC28380","651555","Present",NA,NA
+"28381","6-Methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-1,4-dioxido-3-phenylquinoxaline-1,4-diium-2-amine",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=CC=C3)N)[O-]","BITBQVZIBRVJLD-UHFFFAOYSA-N",135503389,NA,"PDBC28381","621726","Present",NA,NA
+"28382","6-Methoxy-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-1-(2-nitrophenyl)sulfonyl-3,4-dihydro-2H-quinoline",NA,"COC1=CC2=C(C=C1)N(CCC2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]","BKUZKGPCPASDBA-UHFFFAOYSA-N",380121,NA,"PDBC28382","665523","Present",NA,NA
+"28383","6-Methoxy-1-(4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)-1H-inden-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-1-(4-methoxyphenyl)-2-((4-methylphenyl)sulfonyl)-1H-inden-1-ol",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=CC3=C(C2(C4=CC=C(C=C4)OC)O)C=C(C=C3)OC","LCMRHQDFGVSKEF-UHFFFAOYSA-N",383860,NA,"PDBC28383","672632","Present",NA,NA
+"28384","6-Methoxy-1-naphthalen-1-yl-2-phenylimidazo[2,1-b][1,3]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-3-(1-naphthyl)-2-phenylbenzo[d]imidazo[2,1-b][...",NA,"COC1=CC2=C(C=C1)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CC=CC6=CC=CC=C65","WJWRXQBAOPPQDE-UHFFFAOYSA-N",155805137,NA,"PDBC28384","755307","Present",NA,NA
+"28385","6-Methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl (7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Methoxy-1-oxo-tetralin-2-yl) (7,7-dimethyl-2-oxo-norbornan-1-yl)methanesulfonate",NA,"CC1(C2CCC1(C(=O)C2)CS(=O)(=O)OC3CCC4=C(C3=O)C=CC(=C4)OC)C","AAOLLBKWRGWTEW-UHFFFAOYSA-N",375657,NA,"PDBC28385","655494","Present",NA,NA
+"28386","6-Methoxy-10-methyl-2-nitroacridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-10-methyl-2-nitroacridin-9-one",NA,"CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3)OC","MXZPVAOGMYIBMM-UHFFFAOYSA-N",358041,NA,"PDBC28386","617778","Present",NA,NA
+"28387","6-Methoxy-1H-pyrazolo[3,4-b]quinoxalin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-1H-pyrazolo[3,4-b]quinoxalin-3-amine",NA,"COC1=CC2=NC3=C(NN=C3N=C2C=C1)N","PBXOZHMFOVJSOM-UHFFFAOYSA-N",395806,NA,"PDBC28387","700694","Present",NA,NA
+"28388","6-Methoxy-2,2a,3,4-tetrahydro-5H-naphtho[1,8-bc]furan-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-2,2a,3,4-tetrahydro-5H-naphtho[1,8-bc]furan-5-one",NA,"COC1=C2C(=O)CCC3C2=C(C=C1)OC3","FVNOBZGVALPCAP-UHFFFAOYSA-N",361666,NA,"PDBC28388","624884","Present",NA,NA
+"28389","6-Methoxy-2,4-dimethyl-4-nitro-tetrahydropyran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674115///NSC674119",NA,"CC1C(C(CC(O1)OC)(C)[N+](=O)[O-])O","IPERGVQHDOMEEJ-UHFFFAOYSA-N",384392,NA,"PDBC28389","674115///674119","Present",NA,NA
+"28390","6-Methoxy-2-(3-methoxyphenyl)-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-2-(3-methoxyphenyl)quinolin-4(1h)-one",NA,"COC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)OC","FVTUSWUAAUJBRP-UHFFFAOYSA-N",379510,NA,"PDBC28390","664167","Present",NA,NA
+"28391","6-Methoxy-2-(4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-2-(4-hydroxyphenyl)benzothiazole",NA,"COC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)O","OIHCJZAQJKSYGI-UHFFFAOYSA-N",404997,NA,"PDBC28391","721651","Present",NA,NA
+"28392","6-Methoxy-2-(4-methoxyphenyl)-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KUC100258",NA,"COC1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)OC","OMDFUGQWTUUDGN-UHFFFAOYSA-N",372265,NA,"PDBC28392","647321","Present",NA,NA
+"28393","6-Methoxy-2-(4-phenylmethoxyphenyl)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(Benzyloxy)phenyl]-6-methoxyquinoline",NA,"COC1=CC2=C(C=C1)N=C(C=C2)C3=CC=C(C=C3)OCC4=CC=CC=C4","AEXMILBCMVMQFT-UHFFFAOYSA-N",372263,NA,"PDBC28393","647319","Present",NA,NA
+"28394","6-Methoxy-2-(6-methylpyridin-2-yl)-1H-benzimidazole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-2-(6-methyl-pyridin-2-yl)-1H-benzoimidazole-4,...",NA,"CC1=NC(=CC=C1)C2=NC3=C(N2)C(=O)C(=CC3=O)OC","MCIPFAXRNBDBGH-UHFFFAOYSA-N",45027927,NA,"PDBC28394","740158","Present",NA,NA
+"28395","6-Methoxy-2-(phenylimino)-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_004737",NA,"COC1=CC2=C(C=C1)OC(=NC3=CC=CC=C3)C(=C2)C(=O)N","GNVLBFGDXZXKSF-UHFFFAOYSA-N",395974,NA,"PDBC28395","701098","Present",NA,NA
+"28396","6-Methoxy-2-(pyridin-3-yl)-4h-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-2-(pyridin-3-yl)-4h-chromen-4-one",NA,"COC1=CC2=C(C=C1)OC(=CC2=O)C3=CN=CC=C3","KYPPEMWVXHHLGM-UHFFFAOYSA-N",244090,NA,"PDBC28396","54649","Present",NA,NA
+"28397","6-Methoxy-2-methyltetrahydro-2H-pyran-3-yl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-2-methyltetrahydro-2H-pyran-3-yl methanesulfonate",NA,"CC1C(CCC(O1)OC)OS(=O)(=O)C","CODPONHHCPRTSN-UHFFFAOYSA-N",378847,NA,"PDBC28397","662186","Present",NA,NA
+"28398","6-Methoxy-2-phenyl-1-thiophen-3-ylimidazo[2,1-b][1,3]benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-2-phenyl-3-(3-thienyl)benzo[d]imidazo[2,1-b][1...",NA,"COC1=CC2=C(C=C1)N3C(=C(N=C3S2)C4=CC=CC=C4)C5=CSC=C5","WFSJKKQGQLXAJG-UHFFFAOYSA-N",56955856,NA,"PDBC28398","755308","Present",NA,NA
+"28399","6-Methoxy-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-2-phenyl-2,7a-dihydro-7-oxa-8-thia-1,2-diazacyclopenta[fg]naphthacene",NA,"COC1=CC=CC2=C1OC3C4=C2N(N=C4C5=CC=CC=C5S3)C6=CC=CC=C6","VFACTJBEWUDRGJ-UHFFFAOYSA-N",371912,NA,"PDBC28399","646496","Present",NA,NA
+"28400","6-Methoxy-2-pyridin-2-yl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-2-pyridin-2-yl-1H-quinolin-4-one",NA,"COC1=CC2=C(C=C1)NC(=CC2=O)C3=CC=CC=N3","BXJVCIMXOZDEFT-UHFFFAOYSA-N",372261,NA,"PDBC28400","647317","Present",NA,NA
+"28401","6-Methoxy-2-pyridin-4-ylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000108",NA,"COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=NC=C3","GJRXUVZXOFTNKD-UHFFFAOYSA-N",244091,NA,"PDBC28401","54650","Present",NA,NA
+"28402","6-Methoxy-3,3,5,12-tetramethyl-3,12-dihydro-pyrano[2,3-c]acridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-3,3,5,12-tetramethyl-3,12-dihydro-pyrano[2,3-c]acridin-7-one",NA,"CC1=C2C(=C3C(=C1OC)C(=O)C4=CC=CC=C4N3C)C=CC(O2)(C)C","ZFTRTFXXUXJXOU-UHFFFAOYSA-N",374579,NA,"PDBC28402","652553","Present",NA,NA
+"28403","6-Methoxy-3-(4-methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-3-(4-methylphenyl)-1,4-dioxidoquinoxaline-1,4-diium-2-amine",NA,"CC1=CC=C(C=C1)C2=[N+](C3=C(C=CC(=C3)OC)[N+](=C2N)[O-])[O-]","QCASXGFBXLDCCD-UHFFFAOYSA-N",135503393,NA,"PDBC28403","621736","Present",NA,NA
+"28404","6-Methoxy-3-(4-nitrophenyl)-1,4-dioxido-quinoxaline-1,4-diium-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-3-(4-nitrophenyl)-1,4-dioxido-quinoxaline-1,4-diium-2-amine",NA,"COC1=CC2=C(C=C1)[N+](=C(C(=[N+]2[O-])C3=CC=C(C=C3)[N+](=O)[O-])N)[O-]","DLDGNBWHVALABR-UHFFFAOYSA-N",135429939,NA,"PDBC28404","621735","Present",NA,NA
+"28405","6-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,"COC1=C2CCCC3=C(OC(=C23)C=C1)C(=O)O","CHJILIANOLDCJD-UHFFFAOYSA-N",361593,NA,"PDBC28405","624774","Present",NA,NA
+"28406","6-Methoxy-4-methyl-5-nitro-quinolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-4-methyl-5-nitro-quinolin-2-ol",NA,"CC1=CC(=O)NC2=C1C(=C(C=C2)OC)[N+](=O)[O-]","UEVOWYGDNLFANM-UHFFFAOYSA-N",494727,NA,"PDBC28406","629805","Present",NA,NA
+"28407","6-Methoxy-4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-4-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]quinolin-2-amine",NA,"CC1=CC(=NC2=C1C=C(C=C2)OC)NN=C(C)C3=CC=CC=N3","JMBDCADTMYGNQO-FYJGNVAPSA-N",9569350,NA,"PDBC28407","332436","Present",NA,NA
+"28408","6-Methoxy-4-methylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_005460",NA,"CC1=CC(=O)OC2=C1C=C(C=C2)OC","KNGPIBWCWOQBEK-UHFFFAOYSA-N",223821,NA,"PDBC28408","11841","Present",NA,NA
+"28409","6-Methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxamide",NA,"COC1=CC2=C(CC(CC2=O)C(=O)N)C=C1","IMLYAQLEWHBNQA-UHFFFAOYSA-N",356128,NA,"PDBC28409","611220","Present",NA,NA
+"28410","6-Methoxy-5-methyl-7-(1-piperidyl)chromeno[3,2-c]carbazol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-5-methyl-7-(1-piperidyl)chromeno[3,2-c]carbazol-8-one",NA,"CN1C2=CC=CC=C2C3=C1C(=C(C4=C3OC5=CC=CC=C5C4=O)N6CCCCC6)OC","TXAUWABIWMEWKQ-UHFFFAOYSA-N",389282,NA,"PDBC28410","685035","Present",NA,NA
+"28411","6-Methoxy-6'-(methylthio)-2,2'-bipyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxy-6-(6-methylsulfanylpyridin-2-yl)pyridine",NA,"COC1=CC=CC(=N1)C2=NC(=CC=C2)SC","XPXURTRUBAMKGZ-UHFFFAOYSA-N",401653,NA,"PDBC28411","715355","Present",NA,NA
+"28412","6-Methoxy-6-methyltetrahydro-2H-pyran-3-yl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-6-methyltetrahydro-2H-pyran-3-yl methanesulfonate",NA,"CC1(CCC(CO1)OS(=O)(=O)C)OC","ZTGQOAQGMNOJDC-UHFFFAOYSA-N",377517,NA,"PDBC28412","659004","Present",NA,NA
+"28413","6-Methoxy-7,9-dimethylpurin-9-ium-2-amine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691769",NA,"CN1C=[N+](C2=C1C(=NC(=N2)N)OC)C.[Cl-]","UUXQFBYNAZATHJ-UHFFFAOYSA-M",391986,NA,"PDBC28413","691769","Present",NA,NA
+"28414","6-Methoxy-N-(4-phenylmethoxyphenyl)quinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GI261520A",NA,"COC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)OCC4=CC=CC=C4","RARTTYYZTRKYDS-UHFFFAOYSA-N",5329484,NA,"PDBC28414","756129","Present",NA,NA
+"28415","6-Methoxy-N-[2-(5-methoxy-1,3-benzothiazol-2-yl)indazol-3-yl]-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-N-[2-(5-methoxy-1,3-benzothiazol-2-yl)indazol-3-yl]-1,3-benzothiazol-2-amine",NA,"COC1=CC2=C(C=C1)SC(=N2)N3C(=C4C=CC=CC4=N3)NC5=NC6=C(S5)C=C(C=C6)OC","AOPSTCAUDQDJPL-UHFFFAOYSA-N",405978,NA,"PDBC28415","723830","Present",NA,NA
+"28416","6-Methoxy-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-N-[3-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine",NA,"CC(=NOC)C1=CC(=CC=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","GQFVNJNRZLNLMA-QRQIAZFYSA-N",24203284,NA,"PDBC28416","727487","Present",NA,NA
+"28417","6-Methoxy-N-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-N-[4-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl]-2-phenylquinolin-4-amine",NA,"CC(=NOC)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=C(C=C3)OC)C4=CC=CC=C4","HSPUWWLOJQUMNP-OGLMXYFKSA-N",11610967,NA,"PDBC28417","727474","Present",NA,NA
+"28418","6-Methoxyethylamino-Numonafide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB17162",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCOC)C=CC=C3C1=O","RUEVHWQFCPOMPV-UHFFFAOYSA-N",44197135,NA,"PDBC28418","748431","Present",NA,NA
+"28419","6-Methoxyquinoline-4-carbaldehyde;2,4,6-trinitrophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxyquinoline-4-carbaldehyde;2,4,6-trinitrophenol",NA,"COC1=CC2=C(C=CN=C2C=C1)C=O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","XSVQKIWQJQVJHH-UHFFFAOYSA-N",258759,NA,"PDBC28419","88054","Present",NA,NA
+"28420","6-Methoxytetrahydro-2H-pyran-3-yl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxytetrahydro-2H-pyran-3-yl methanesulfonate",NA,"COC1CCC(CO1)OS(=O)(=O)C","PPHUCIFEIVTMMF-UHFFFAOYSA-N",375965,NA,"PDBC28420","656319","Present",NA,NA
+"28421","6-Methyl-1,2,4-benzotriazin-3-amine 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-1,2,4-benzotriazin-3-amine-1,4-dioxide",NA,"CC1=CC2=C(C=C1)[N+](=NC(=[N+]2[O-])N)[O-]","BQGKKNVBQGAZPP-UHFFFAOYSA-N",135405390,NA,"PDBC28421","623598","Present",NA,NA
+"28422","6-Methyl-1,2,4-benzotriazin-3-amine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-1,2,4-benzotriazin-3-amine 1-oxide",NA,"CC1=CC2=C(C=C1)[N+](=NC(=N2)N)[O-]","JKOWNWUHWNPUGO-UHFFFAOYSA-N",494409,NA,"PDBC28422","623597","Present",NA,NA
+"28423","6-Methyl-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,"CC1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4F)F","MVEYGWOKRBJXKP-UHFFFAOYSA-N",382386,NA,"PDBC28423","669944","Present",NA,NA
+"28424","6-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazolo[3,4-d][1,3]oxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazolo[3,4-d][1,3]oxazin-4-one",NA,"CC1=NC2=C(C=NN2C3=C4C=CC=C(C4=NC=C3)C(F)(F)F)C(=O)O1","XXOMXJGBJHKGBV-UHFFFAOYSA-N",45027940,NA,"PDBC28424","740236","Present",NA,NA
+"28425","6-Methyl-11h-isoindolo[2,1-a]benzimidazol-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-11h-isoindolo[2,1-a]benzimidazol-11-one",NA,"CC1=C2C(=CC=C1)N3C(=N2)C4=CC=CC=C4C3=O","PFCBNVVMGMVTMP-UHFFFAOYSA-N",377707,NA,"PDBC28425","659298","Present",NA,NA
+"28426","6-Methyl-2-(2-pyrrolidin-1-ylethylamino)-8-[[4-(trifluoromethyl)phenyl]methoxy]naphthalene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-methyl-2-((2-(pyrrolidin-1-yl)ethyl)amino)-8-((4-(trif...",NA,"CC1=CC2=C(C(=C1)OCC3=CC=C(C=C3)C(F)(F)F)C(=O)C(=CC2=O)NCCN4CCCC4","RUUZGAHWFHOPOJ-UHFFFAOYSA-N",155812906,NA,"PDBC28426","778537","Present",NA,NA
+"28427","6-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one",NA,"CC1=C(SC=C1)C2=CC(=O)C3=C(N2)N=CC(=C3)C","IZJFLAZOHJGLFN-UHFFFAOYSA-N",395566,NA,"PDBC28427","700272","Present",NA,NA
+"28428","6-Methyl-2-(4-methylphenoxy)-2-oxo-1,3-dihydro-1,3,2lambda5-diazaphosphinin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2-(4-methylphenoxy)-2,3-dihydro-1,3,2-diazaphosphinin-4(1H)-one 2-oxide",NA,"CC1=CC=C(C=C1)OP2(=O)NC(=CC(=O)N2)C","ASVIYTBDPRIPFT-UHFFFAOYSA-N",373122,NA,"PDBC28428","649064","Present",NA,NA
+"28429","6-Methyl-2-(N-methylanilino)pyrano[3,2-g][1,3]benzoxazine-4,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2-(N-methylanilino)pyrano[3,2-g][1,3]benzoxazine-4,8-dione",NA,"CC1=CC(=O)OC2=CC3=C(C=C12)C(=O)N=C(O3)N(C)C4=CC=CC=C4","LBFXTYIMKVQBHX-UHFFFAOYSA-N",322547,NA,"PDBC28429","280607","Present",NA,NA
+"28430","6-Methyl-2-(naphthalen-1-yl)-1,8-naphthyridin-4(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2-(naphthalen-1-yl)-1,8-naphthyridin-4(1h)-one",NA,"CC1=CC2=C(NC(=CC2=O)C3=CC=CC4=CC=CC=C43)N=C1","KBQRHVUXLRZRAC-UHFFFAOYSA-N",385178,NA,"PDBC28430","676182","Present",NA,NA
+"28431","6-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one",NA,"CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=CC(=C3)C","KDLJOBRGZSEPQS-UHFFFAOYSA-N",385183,NA,"PDBC28431","676187","Present",NA,NA
+"28432","6-Methyl-2-methylthio-4,7(3H,8H)-pteridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-007160",NA,"CC1=NC2=C(NC1=O)N=C(NC2=O)SC","BIVZDTOEJMRHRG-UHFFFAOYSA-N",135408970,NA,"PDBC28432","650997","Present",NA,NA
+"28433","6-Methyl-2-oxo-2H-pyrimido[2,1-b]benzothiazole-4-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2-oxo-2H-pyrimido[2,1-b]benzothiazole-4-carboxylic acid methyl ester",NA,"CC1=C2C(=CC=C1)SC3=NC(=O)C=C(N23)C(=O)OC","IVYQDQVQOKGDQP-UHFFFAOYSA-N",397290,NA,"PDBC28433","704843","Present",NA,NA
+"28434","6-Methyl-2-phenyl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 6-methyl-2-phenyl-",NA,"CC1=CC2=C(NC(=CC2=O)C3=CC=CC=C3)N=C1","WCFSVUHOIXDGEW-UHFFFAOYSA-N",377425,NA,"PDBC28434","658868","Present",NA,NA
+"28435","6-Methyl-2-phenyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2-phenyl-3a,4,5,10c-tetrahydropyrrolo[3,4-c]carbazole-1,3-dione",NA,"CN1C2=C(C3C(CC2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CC=C51","YUAHKQSPYRFWRN-UHFFFAOYSA-N",372684,NA,"PDBC28435","648217","Present",NA,NA
+"28436","6-Methyl-2-phenyl-4H-9lambda(4)-(1,2)dithiolo(5',1':5,1)(1,2)dithiolo(4,3-c)pyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-2-phenyl-4H-9lambda(4)-(1,2)dithiolo(5',1':5,1)(1,2)dithiolo(4,3-c)pyran-4-one",NA,"CC1=CC2=C(C3=S(S2)SC(=C3)C4=CC=CC=C4)C(=O)O1","XQXVZLATYFMXSP-UHFFFAOYSA-N",325384,NA,"PDBC28436","294104","Present",NA,NA
+"28437","6-Methyl-3-((2-thioxo-1-imidazolidinyl)methylene)-2H-pyran-2,4(3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-3-((2-thioxo-1-imidazolidinyl)methylene)-2H-pyran-2,4(3H)-dione",NA,"CC1=CC(=O)C(=CN2CCNC2=S)C(=O)O1","OYKNLHQQKRLGRK-ALCCZGGFSA-N",3004495,NA,"PDBC28437","657600","Present",NA,NA
+"28438","6-Methyl-3-(4-nitrophenyl)-4-oxo-7-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-3-(4-nitrophenyl)-4-oxo-7-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(C(=C2N1C(=O)N(N=N2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4","JGYPJPHLVYPPRA-UHFFFAOYSA-N",398637,NA,"PDBC28438","708787","Present",NA,NA
+"28439","6-Methyl-3-(8-(6-methyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)octyl)-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-3-[8-(6-methyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)octyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole",NA,"CC1=NC2=NN=C(N2N1)CCCCCCCCC3=NN=C4N3NC(=N4)C","TYOYVBTZIBLEIO-UHFFFAOYSA-N",394073,NA,"PDBC28439","697191","Present",NA,NA
+"28440","6-Methyl-3-phenyl-1,3-oxazine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-3-phenyl-1,3-oxazine-2,4-dione",NA,"CC1=CC(=O)N(C(=O)O1)C2=CC=CC=C2","OJSWDXACASGXDW-UHFFFAOYSA-N",360291,NA,"PDBC28440","622326","Present",NA,NA
+"28441","6-Methyl-3-phenyl-2-[(3,4,5-trimethoxyphenyl)methylsulfanyl]quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-methyl-3-phenyl-2-(3,4,5-trimethoxybenzylthio)quinazol...",NA,"CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC4=CC(=C(C(=C4)OC)OC)OC","OXDZAQXWEQOVBD-UHFFFAOYSA-N",134141634,NA,"PDBC28441","764490","Present",NA,NA
+"28442","6-Methyl-3-phenyl-2H-1,4-benzoxazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZUFVCKNPNRKVLV-UHFFFAOYSA-N",NA,"CC1=CC2=C(C=C1)OC(=O)C(=N2)C3=CC=CC=C3","ZUFVCKNPNRKVLV-UHFFFAOYSA-N",374657,NA,"PDBC28442","652757","Present",NA,NA
+"28443","6-Methyl-3-thioxo-2H-[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-3-thioxo-2H-[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid",NA,"CC1=C(N2C(=NNC2=S)C3=CC=CC=C13)C(=O)O","JWKOZFYVXQWTDS-UHFFFAOYSA-N",3005872,NA,"PDBC28443","687325","Present",NA,NA
+"28444","6-Methyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one",NA,"CC1=NNC(=O)C2=C1NC3=C2CC4=CC=CC=C43","XLSCKMYDZWHJPC-UHFFFAOYSA-N",135426742,NA,"PDBC28444","715660","Present",NA,NA
+"28445","6-Methyl-4-(2-thienyl)-8-(2-thienylmethylene)-4,4a,5,6,7,8-hexahydropyrido[4,3-d]pyrimidine-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-6-Methyl-4-thiophen-2-yl-8-(thiophen-2-ylmethylidene)-4,4a,5,7-tetrahydro-3H-pyrido[4,3-d]pyrimidine-2-thione",NA,"CN1CC2C(NC(=S)N=C2C(=CC3=CC=CS3)C1)C4=CC=CS4","FMDRPUQOKDUQEP-DHZHZOJOSA-N",5470915,NA,"PDBC28445","706212","Present",NA,NA
+"28446","6-Methyl-4-(4-methylphenyl)-2,3-diphenyl-2H-chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-4-(4-methylphenyl)-2,3-diphenyl-2H-chromene",NA,"CC1=CC=C(C=C1)C2=C(C(OC3=C2C=C(C=C3)C)C4=CC=CC=C4)C5=CC=CC=C5","SEWKMKWVWIHZKL-UHFFFAOYSA-N",244721,NA,"PDBC28446","55823","Present",NA,NA
+"28447","6-Methyl-4-[(E)-1H-pyrrol-2-yl(pyrrol-2-ylidene)methyl]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((11Z)-(1H-pyrrol-2-yl)(2H-pyrrol-2-ylidene)methyl)-6-...",NA,"CC1=CC2=C(C=C1)OC(=O)C=C2C(=C3C=CC=N3)C4=CC=CN4","HVEWUBXSHABGAI-KNTRCKAVSA-N",155808800,NA,"PDBC28447","788354","Present",NA,NA
+"28448","6-Methyl-4-phenyl-3-[(E)-2-phenylethenyl]-[1,2]oxazolo[3,4-d]pyridazin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-4-phenyl-3-[(E)-styryl]isoxazolo[3,4-d]pyridazin-7-one",NA,"CN1C(=O)C2=NOC(=C2C(=N1)C3=CC=CC=C3)C=CC4=CC=CC=C4","UVZGFJXGOWUHIC-OUKQBFOZSA-N",5387845,NA,"PDBC28448","628249","Present",NA,NA
+"28449","6-Methyl-4-phenyl-4-thiochromanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7R-1006",NA,"CC1=CC2=C(C=C1)SCCC2(C3=CC=CC=C3)O","HXFKHHWURCSHAE-UHFFFAOYSA-N",347254,NA,"PDBC28449","405810","Present",NA,NA
+"28450","6-Methyl-5,7,12-trioxa-1-aza-6-silabicyclo[4.3.3]dodecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-5,7,12-trioxa-1-aza-6-silabicyclo[4.3.3]dodecane",NA,"C[Si]12OCCCN(CCO1)CCO2","ITWMDVCUTCPPHI-UHFFFAOYSA-N",362523,NA,"PDBC28450","626550","Present",NA,NA
+"28451","6-Methyl-5-(4-phenylbutyl)-2,4-pyrimidinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L06TDN89AB",NA,"CC1=C(C(=NC(=N1)N)N)CCCCC2=CC=CC=C2","FNJDMUJSPSCFQC-UHFFFAOYSA-N",276876,NA,"PDBC28451","125347","Present",NA,NA
+"28452","6-Methyl-5-[2-(2-hydroxynaphthalene-1-yl)ethenyl]-1,2,4-triazine-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-5-[2-(2-hydroxynaphthalene-1-yl)ethenyl]-1,2,4-triazine-3-amine",NA,"CC1=C(N=C(N=N1)N)C=CC2=C(C=CC3=CC=CC=C32)O","RNOYWVKBBRCCNT-BQYQJAHWSA-N",135411226,NA,"PDBC28452","698036","Present",NA,NA
+"28453","6-Methyl-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-triazine-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-5-[2-(3,4,5-trimethoxyphenyl)ethenyl]-1,2,4-triazine-3-amine",NA,"CC1=C(N=C(N=N1)N)C=CC2=CC(=C(C(=C2)OC)OC)OC","UKQMNDGJNYOGOD-AATRIKPKSA-N",6413214,NA,"PDBC28453","698035","Present",NA,NA
+"28454","6-Methyl-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-5-oxo-2,3,6,7-tetrahydro-1H-imidazo[1,2-a]pyridine-8-carbonitrile",NA,"CC1CC(=C2NCCN2C1=O)C#N","FXIKAZVSWUJXNC-UHFFFAOYSA-N",383015,NA,"PDBC28454","670999","Present",NA,NA
+"28455","6-Methyl-5H-indeno[1,2-c]isoquinoline-5,11(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Indeno[1,2-c]isoquinoline-5,11-dione, 6-methyl-",NA,"CN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","JUNQOARPKFNFHS-UHFFFAOYSA-N",265730,NA,"PDBC28455","102067","Present",NA,NA
+"28456","6-Methyl-5H-indolo[2,3-b]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-5H-indolo[2,3-b]quinolin-11-one",NA,"CN1C2=CC=CC=C2C3=C1NC4=CC=CC=C4C3=O","AMPOKYCOEAMJEQ-UHFFFAOYSA-N",12205646,NA,"PDBC28456","730514","Present",NA,NA
+"28457","6-Methyl-6-(4-methyl-3-pentenyl)-3-oxabicyclo[3.1.0]hexan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679286///NSC679287",NA,"CC(=CCCC1(C2C1C(=O)OC2)C)C","GUCZDYSAJOJBCK-UHFFFAOYSA-N",386748,NA,"PDBC28457","679286///679287","Present",NA,NA
+"28458","6-Methyl-6h-[1,2,3,4,5]pentathiepino[6,7-b]pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-1H-4,5,6,7,8-pentahia-1-aza-azulene",NA,"CN1C=CC2=C1SSSSS2","VKMSHSBRBPPUAW-UHFFFAOYSA-N",406614,NA,"PDBC28458","724854","Present",NA,NA
+"28459","6-Methyl-7-phenylphthalide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-7-phenylphthalide",NA,"CC1=C(C2=C(COC2=O)C=C1)C3=CC=CC=C3","DEDGOEWLOGAVSE-UHFFFAOYSA-N",362116,NA,"PDBC28459","625645","Present",NA,NA
+"28460","6-Methyl-7b-phenyl-1,3a,7a,7b-tetrahydroazireno[1,2-b][1,2]benzisothiazole 3,3-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-7b-phenyl-1,3a,7a,7b-tetrahydroazireno[1,2-b][1,2]benzisothiazole 3,3-dioxide",NA,"CC1=CC2C(C=C1)S(=O)(=O)N3C2(C3)C4=CC=CC=C4","UPHYXNAFEYWKJC-UHFFFAOYSA-N",374623,NA,"PDBC28460","652592","Present",NA,NA
+"28461","6-Methyl-8-(2-nitrophenyl)sulfonyl-1,2,3,4-tetrahydroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-8-(2-nitro-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline",NA,"CC1=CC2=C(C(=C1)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NCCC2","LJVCLFHCGDJIDD-UHFFFAOYSA-N",381403,NA,"PDBC28461","667948","Present",NA,NA
+"28462","6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-8-(3,4,5-trimethoxyphenyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"CC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)O","IDADLLJOYKJGOF-UHFFFAOYSA-N",358790,NA,"PDBC28462","618859","Present",NA,NA
+"28463","6-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol",NA,"CC1=CC2=C(C=C1)NC3=C2C(=O)NC(=O)N3","HSCXFKFIMPYGMP-UHFFFAOYSA-N",387242,NA,"PDBC28463","680817","Present",NA,NA
+"28464","6-Methyl-N'-phenyl-3-sulfanylidene-2H-[1,2,4]triazolo[3,4-a]isoquinoline-5-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-N'-phenyl-3-sulfanylidene-2H-[1,2,4]triazolo[3,4-a]isoquinoline-5-carbohydrazide",NA,"CC1=C(N2C(=NNC2=S)C3=CC=CC=C13)C(=O)NNC4=CC=CC=C4","MJRUJKFFSGXJIB-UHFFFAOYSA-N",3005873,NA,"PDBC28464","687326","Present",NA,NA
+"28465","6-Methyl-N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-N-[(E)-(3-phenoxyphenyl)methylideneamino]pyridine-3-carboxamide",NA,"CC1=NC=C(C=C1)C(=O)NN=CC2=CC(=CC=C2)OC3=CC=CC=C3","XPJXCLBIQQPFFP-LPYMAVHISA-N",45028963,NA,"PDBC28465","745062","Present",NA,NA
+"28466","6-Methyl-N-phenyl-6H-indolo[2,3-B]quinolin-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-N-phenyl-6H-indolo[2,3-B]quinolin-11-amine",NA,"CN1C2=CC=CC=C2C3=C(C4=CC=CC=C4N=C31)NC5=CC=CC=C5","PPEMCIOSQLXPRB-UHFFFAOYSA-N",24203281,NA,"PDBC28466","727483","Present",NA,NA
+"28467","6-Methyl-coumarin-4-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl-coumarin-4-acetic acid",NA,"CC1=CC2=C(C=C1)OC(=O)C=C2CC(=O)O","DAOGIXQKZLJBBB-UHFFFAOYSA-N",370163,NA,"PDBC28467","642905","Present",NA,NA
+"28468","6-Methyl[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methyl[1,2,4]triazolo[3,4-a]isoquinoline-5-carboxylic acid",NA,"CC1=C(N2C=NN=C2C3=CC=CC=C13)C(=O)O","BQCHDOMXFVYBCY-UHFFFAOYSA-N",390177,NA,"PDBC28468","687324","Present",NA,NA
+"28469","6-Methylanthracene-1,2,8-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chrysarobin",NA,"CC1=CC2=C(C=C3C(=C2)C=CC(=C3O)O)C(=C1)O","CBEBNXQBODNTIB-UHFFFAOYSA-N",221502,NA,"PDBC28469","6152","Present",NA,NA
+"28470","6-Methylbenzimidazo[2,1-a]isoquinoline-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylbenzimidazo[2,1-a]isoquinoline-5-carbonitrile",NA,"CC1=C(C2=CC=CC=C2C3=NC4=CC=CC=C4N13)C#N","KWWBYCSMNGLBLX-UHFFFAOYSA-N",393408,NA,"PDBC28470","695251","Present",NA,NA
+"28471","6-Methylbenzimidazolo[1,2-a]quinolin-10-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylbenzimidazo[1,2-a]quinolin-10-ol",NA,"CC1=CC2=CC=CC=C2N3C1=NC4=C3C=C(C=C4)O","VTOKYGJGDSMCLZ-UHFFFAOYSA-N",379118,NA,"PDBC28471","663332","Present",NA,NA
+"28472","6-Methylbenzimidazolo[1,2-a]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylbenzimidazo[1,2-a]quinoline",NA,"CC1=CC2=CC=CC=C2N3C1=NC4=CC=CC=C43","MWJNCARPMWGPBR-UHFFFAOYSA-N",378353,NA,"PDBC28472","660435","Present",NA,NA
+"28473","6-Methylcyclopenta[d]naphtho[1,2-b]pyran-2,11-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Methyl-17-oxatetracyclo[8.7.0.02,7.011,15]heptadeca-1,3,5,7,9,11,13,15-octaene-5,8-diol",NA,"CC1=C2C=CC=C2C3=CC(=C4C=C(C=CC4=C3O1)O)O","SVMFVMNFRYHQRJ-UHFFFAOYSA-N",403547,NA,"PDBC28473","718567","Present",NA,NA
+"28474","6-Methylene-4-(4-(methylthio)butyl)-1-thiaspiro[4.11]hexadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylene-4-(4-(methylthio)butyl)-1-thiaspiro[4.11]hexadecane",NA,"CSCCCCC1CCSC12CCCCCCCCCCC2=C","HOFZDTZMKCWGHW-UHFFFAOYSA-N",380706,NA,"PDBC28474","666412","Present",NA,NA
+"28475","6-Methylimidazo[2,1-b][1,3]thiazole-5-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT026168",NA,"CC1=C(N2C=CSC2=N1)C(=O)NN","LPBZKHDAKWWKDV-UHFFFAOYSA-N",373104,NA,"PDBC28475","649046","Present",NA,NA
+"28476","6-Methylisoindolo[1,2-a]quinoxalin-4(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-methylisoindolo[1,2-a]quinoxalin-4(5H)-one",NA,"CC1=C2C(=CC=C1)N3C=C4C=CC=CC4=C3C(=O)N2","SYDOFTITSJEAJU-UHFFFAOYSA-N",24205091,NA,"PDBC28476","734236","Present",NA,NA
+"28477","6-Methylpyrazolo[1,5-a]pyrido[3,4-e]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylpyrazolo[1,5-a]pyrido[3,4-e]pyrimidine",NA,"CC1=NC=CC2=C1C=NC3=CC=NN23","LKJSPXBKQDWJLJ-UHFFFAOYSA-N",373161,NA,"PDBC28477","649104","Present",NA,NA
+"28478","6-Methylpyrido[3',4':4,5]thieno[2,3-g]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[3',4':4,5]thieno[2,3-g]isoquinoline, 6-methyl-",NA,"CC1=C2C=CN=CC2=CC3=C1SC4=C3C=NC=C4","PLSOBUFESKZPQJ-UHFFFAOYSA-N",371812,NA,"PDBC28478","646278","Present",NA,NA
+"28479","6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.7.0.03,8.013,18]octadeca-1,3(8),6,13,15,17-hexaene-4,12-dione",NA,"CSC1=NC2=C(C(=O)N1)N=C3C(C(N2)C4=CC=CC=C4)C(=O)C5=CC=CC=C53","GPTJGBNSZLLOCJ-UHFFFAOYSA-N",135958523,NA,"PDBC28479","746604","Present",NA,NA
+"28480","6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaen-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylsulfanyl-10-phenyl-2,5,7,9-tetrazatetracyclo[9.8.0.03,8.014,19]nonadeca-1,3,5,7,14,16,18-heptaen-4-amine",NA,"CSC1=NC(=C2C(=N1)NC(C3CCC4=CC=CC=C4C3=N2)C5=CC=CC=C5)N","BGEBAYSYLQCBJE-UHFFFAOYSA-N",54612800,NA,"PDBC28480","750685","Present",NA,NA
+"28481","6-Methylsulfanyl-2,4-diphenyl-5H-pyrido[3,2-d][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylsulfanyl-2,4-diphenyl-5H-pyrido[3,2-d][1]benzazepine",NA,"CSC1=NC2=CC=CC=C2C3=C(C1)C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5","WMLMTJCOZQUYLX-UHFFFAOYSA-N",384149,NA,"PDBC28481","673437","Present",NA,NA
+"28482","6-Methylsulfanyl-2-propyl-5H-pyrazolo[3,4-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Methylsulfanyl)-2-propyl-1,2-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one",NA,"CCCN1C=C2C(=O)NC(=NC2=N1)SC","BBZKILGSJWOVQG-UHFFFAOYSA-N",135503405,NA,"PDBC28482","622928","Present",NA,NA
+"28483","6-Methylsulfanyl-9-oxo-17-thia-5,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylsulfanyl-9-oxo-17-thia-5,7,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile",NA,"CSC1=NC=C2C(=C3N(C4=CC=CC=C4S3)C(=O)C2=N1)C#N","GDMAFHSSWYELAM-UHFFFAOYSA-N",390691,NA,"PDBC28483","688323","Present",NA,NA
+"28484","6-Methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylsulfanyl-9-oxo-5,7,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,11,13,15-heptaene-2-carbonitrile",NA,"CSC1=NC=C2C(=C3NC4=CC=CC=C4N3C(=O)C2=N1)C#N","RJULJOABIGVIFL-UHFFFAOYSA-N",390930,NA,"PDBC28484","689176","Present",NA,NA
+"28485","6-Methylsulfonyl-2-(4-hydroxyphenyl)benzothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylsulfonyl-2-(4-hydroxyphenyl)benzothiazole",NA,"CS(=O)(=O)C1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)O","QZZNLZTWVLQFBU-UHFFFAOYSA-N",405002,NA,"PDBC28485","721656","Present",NA,NA
+"28486","6-Methylthio-9-(2-carbo-t-butoxyethyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylthio-9-(2-carbo-t-butoxyethyl)purine",NA,"CC(C)(C)OC(=O)CCN1C=NC2=C1N=CN=C2SC","GJCIPGHZMOIIGU-UHFFFAOYSA-N",383744,NA,"PDBC28486","672184","Present",NA,NA
+"28487","6-Methylthio-9-(2-carbomethoxyethyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylthio-9-(2-carbomethoxyethyl)purine",NA,"COC(=O)CCN1C=NC2=C1N=CN=C2SC","JVCRRSREYNJAOI-UHFFFAOYSA-N",383741,NA,"PDBC28487","672181","Present",NA,NA
+"28488","6-Methylthio-9-(2-carboxyethyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylthio-9-(2-carboxyethyl)purine",NA,"CSC1=NC=NC2=C1N=CN2CCC(=O)O","JXNSAEJCRPWCGP-UHFFFAOYSA-N",383743,NA,"PDBC28488","672183","Present",NA,NA
+"28489","6-Methylthio-9-(2-cyanoethylethyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methylthio-9-(2-cyanoethylethyl)purine",NA,"CSC1=NC=NC2=C1N=CN2CCC#N","UWCPLQZPYOIAPE-UHFFFAOYSA-N",383742,NA,"PDBC28489","672182","Present",NA,NA
+"28490","6-Morpholin-4-yl-2-phenyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Morpholin-4-yl)-2-phenylquinolin-4(1H)-one",NA,"C1COCCN1C2=CC3=C(C=C2)NC(=CC3=O)C4=CC=CC=C4","CDLDNONKTVBHFT-UHFFFAOYSA-N",381131,NA,"PDBC28490","667448","Present",NA,NA
+"28491","6-Morpholin-4-yl-2-prop-2-enylbenzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Allyl-6-morpholin-4-yl-benzo[de]isoquinoline-1,3-dione",NA,"C=CCN1C(=O)C2=C3C(=C(C=C2)N4CCOCC4)C=CC=C3C1=O","HXBXMNCIDQBCHE-UHFFFAOYSA-N",619416,NA,"PDBC28491","781010","Present",NA,NA
+"28492","6-Morpholin-4-yl-7,8,9,10-tetrahydro-phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Morpholin-4-yl)-7,8,9,10-tetrahydrophenanthridine",NA,"C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCOCC4","PQFPGVBGDZEYHR-UHFFFAOYSA-N",399480,NA,"PDBC28492","710331","Present",NA,NA
+"28493","6-N-(3,5-Dimethylphenyl)-2-N-(2-morpholin-4-ylethyl)-3-nitropyridine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N6-(3,5-dimethylphenyl)-N2-(2-morpholinoethyl)-3-nitropy...",NA,"CC1=CC(=CC(=C1)NC2=NC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3)C","UIZNRSGQTXFMOF-UHFFFAOYSA-N",155805682,NA,"PDBC28493","780957","Present",NA,NA
+"28494","6-N-(4-Morpholino)-7-chloro-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-N-(4-Morpholino)-7-chloro-5,8-quinolinedione",NA,"C1COCCN1C2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl","RMIQPWZCLKZDEM-UHFFFAOYSA-N",379074,NA,"PDBC28494","663281","Present",NA,NA
+"28495","6-N-Hydroxylaminopurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HAP (VAN)",NA,"C1=NC2=C(N1)C(=NC=N2)NO","CBCQWVQNMGNYEO-UHFFFAOYSA-N",21876,NA,"PDBC28495","516286","Present",NA,NA
+"28496","6-N-Phenyl-7H-purine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK629701",NA,"C1=CC=C(C=C1)NC2=NC(=NC3=C2NC=N3)N","AWRCGEJILTVONY-UHFFFAOYSA-N",3618608,NA,"PDBC28496","29611","Present",NA,NA
+"28497","6-N-[(3,4-Dichlorophenyl)methyl]-6-N-ethyl-5-methylquinazoline-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Quinazolinetriamine, N(6)-[(3,4-dichlorophenyl)met...",NA,"CCN(CC1=CC(=C(C=C1)Cl)Cl)C2=C(C3=C(C=C2)N=C(N=C3N)N)C","VADOLDYAUSTMFK-UHFFFAOYSA-N",312901,NA,"PDBC28497","225112","Present",NA,NA
+"28498","6-N-[2-[5-(Diethylamino)pentan-2-ylamino]-6-methylpyrimidin-4-yl]-2-methylquinoline-4,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-N-[2-[5-(diethylamino)pentan-2-ylamino]-6-methylpyrimi...",NA,"CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(C=C(N=C3C=C2)C)N)C.Cl","URTRMMHOVZQXRF-UHFFFAOYSA-N",54603599,NA,"PDBC28498","23766","Present",NA,NA
+"28499","6-Naphthalen-2-ylsulfonyl-5,6,7,8-tetrahydroquinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Quinazolinediamine, 5,6,7,8-tetrahydro-6-(2-naphthal...",NA,"C1CC2=C(CC1S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C(=NC(=N2)N)N","RVGOYYJACXCEJO-UHFFFAOYSA-N",173733,NA,"PDBC28499","305802","Present",NA,NA
+"28500","6-Nitro-1-(p-tolylsulfonyl)indolin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-1-(p-tolylsulfonyl)indolin-5-ol",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C32)[N+](=O)[O-])O","XLFMHKVIDVPBAY-UHFFFAOYSA-N",394448,NA,"PDBC28500","697922","Present",NA,NA
+"28501","6-Nitro-1-oxido-2-phenyl-indol-1-ium-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-nitro-1-oxido-2-phenyl-indol-1-ium-3-one",NA,"C1=CC=C(C=C1)C2=[N+](C3=C(C2=O)C=CC(=C3)[N+](=O)[O-])[O-]","MEVHNAIHZXKVHL-UHFFFAOYSA-N",362365,NA,"PDBC28501","626111","Present",NA,NA
+"28502","6-Nitro-1-phenyl-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-1-phenyl-9H-pyrido[3,4-b]indole",NA,"C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=C(C=C4)[N+](=O)[O-]","CSXDXDQRTCVJRZ-UHFFFAOYSA-N",359450,NA,"PDBC28502","620315","Present",NA,NA
+"28503","6-Nitro-2,3-bis(2-pyridyl)quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-2,3-bis(2-pyridyl)quinoxaline",NA,"C1=CC=NC(=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C4=CC=CC=N4","KIBYVRORTKFSMR-UHFFFAOYSA-N",391175,NA,"PDBC28503","690016","Present",NA,NA
+"28504","6-Nitro-2-(3-chloropropyl)-1h-benz[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-2-(3-chloropropyl)-1H-benz[de]isoquinoline-1,3-d...",NA,"C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCCl)[N+](=O)[O-]","LLJBMNWXSOWIFM-UHFFFAOYSA-N",24857311,NA,"PDBC28504","767838","Present",NA,NA
+"28505","6-Nitro-2-[4-(6-nitro-1-oxido-3-oxo-indol-1-ium-2-yl)phenyl]-1-oxido-indol-1-ium-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-2-[4-(6-nitro-1-oxido-3-oxo-indol-1-ium-2-yl)phenyl]-1-oxido-indol-1-ium-3-one",NA,"C1=CC(=C2C(=O)C3=C([N+]2=O)C=C(C=C3)[N+](=O)[O-])C=CC1=C4C(=O)C5=C(N4[O-])C=C(C=C5)[N+](=O)[O-]","CRVBTIMACCESNM-UHFFFAOYSA-N",365640,NA,"PDBC28505","633494","Present",NA,NA
+"28506","6-Nitro-2-chromanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-2-chromanone",NA,"C1CC(=O)OC2=C1C=C(C=C2)[N+](=O)[O-]","GOHGBRHKCJJPJO-UHFFFAOYSA-N",266739,NA,"PDBC28506","105511","Present",NA,NA
+"28507","6-Nitro-3-oxido-5-piperidin-1-yl-2,1,3-benzoxadiazol-3-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzofurazan, 5-nitro-6-(1-piperidinyl)-, 1-oxide",NA,"C1CCN(CC1)C2=CC3=[N+](ON=C3C=C2[N+](=O)[O-])[O-]","JVZAGLAAFBGAEY-UHFFFAOYSA-N",313603,NA,"PDBC28507","228132","Present",NA,NA
+"28508","6-Nitro-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-3H-[1,2,4]triazolo[1,5-a]pyridine-2-thione",NA,"C1=CC2=NC(=S)NN2C=C1[N+](=O)[O-]","TWVJAVUBOYKJHM-UHFFFAOYSA-N",4593437,NA,"PDBC28508","116465","Present",NA,NA
+"28509","6-Nitro-4,5-dihydro-3H-naphtho[1,8-bc]furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-4,5-dihydro-3H-naphtho[1,8-bc]furan",NA,"C1CC2=COC3=C2C(=C(C=C3)[N+](=O)[O-])C1","MNGPOBLFVWFZTC-UHFFFAOYSA-N",361609,NA,"PDBC28509","624794","Present",NA,NA
+"28510","6-Nitro-5-[2-(6-nitroquinolin-5-yl)ethyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline, 5,5'-(1,2-ethanediyl)bis[6-nitro-",NA,"C1=CC2=C(C=CC(=C2CCC3=C(C=CC4=C3C=CC=N4)[N+](=O)[O-])[N+](=O)[O-])N=C1","ZEBXQNPPSLVDEJ-UHFFFAOYSA-N",387119,NA,"PDBC28510","680517","Present",NA,NA
+"28511","6-Nitro-7,11b-dihydro-6aH-benzo[c]carbazole-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-7,11b-dihydro-6aH-benzo[c]carbazole-1,4-diol",NA,"C1=CC=C2C(=C1)C3C(N2)C(=CC4=C(C=CC(=C34)O)O)[N+](=O)[O-]","OHDZKMKDJDZEMK-UHFFFAOYSA-N",5177983,NA,"PDBC28511","704287","Present",NA,NA
+"28512","6-Nitro-N,N'-diphenylquinoxaline-2,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-Pf-2168",NA,"C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2NC4=CC=CC=C4","RPNCMLPRXMCLPW-UHFFFAOYSA-N",3793309,NA,"PDBC28512","671425","Present",NA,NA
+"28513","6-Nitrobenzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0067869",NA,"C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)[N+](=O)[O-]","IUMNWHADVMZBJV-UHFFFAOYSA-N",372023,NA,"PDBC28513","646839","Present",NA,NA
+"28514","6-Nitrobenzo[g]quinoxaline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitrobenzo[g]quinoxaline-5,10-dione",NA,"C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=NC=CN=C3C2=O","NXVAFOXTJCRFRX-UHFFFAOYSA-N",338711,NA,"PDBC28514","362342","Present",NA,NA
+"28515","6-Nitrocholest-5-en-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC128354",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC(=C4C3(CCC(C4)O)C)[N+](=O)[O-])C","PGRKJDDEUNIWAZ-UHFFFAOYSA-N",278623,NA,"PDBC28515","128354","Present",NA,NA
+"28516","6-Nitroquinazoline-2,4-dithiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658282",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=S)NC(=S)N2","NKDACMNNKDCSOT-UHFFFAOYSA-N",3005855,NA,"PDBC28516","658282","Present",NA,NA
+"28517","6-Nitrotetrazolo[1,5-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-nitro-1,7,8,9-tetrazabicyclo[4.3.0]nona-2,4,6,8-tetraene",NA,"C1=CC2=NN=NN2C=C1[N+](=O)[O-]","FVSDBFPXGMEACC-UHFFFAOYSA-N",346452,NA,"PDBC28517","404687","Present",NA,NA
+"28518","6-O-(Benzyl(hydroxy)phosphoryl)hexose ammoniate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-O-(Benzyl(hydroxy)phosphoryl)hexose ammoniate",NA,"C1=CC=C(C=C1)CP(=O)(O)OCC(C(C(C(C=O)O)O)O)O","SCFQXMYKBGDUBB-UHFFFAOYSA-N",379334,NA,"PDBC28518","663880","Present",NA,NA
+"28519","6-O-Benzyl-1-deoxy-1-(dimethoxyphosphoryl)-3,4-O-(1-methylethylidene)hex-2-ulose",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,4R)-(-)-6-O-Benzyl -1-deoxy-1-(dimethyl- phosphono)-...",NA,"CC1(OC(C(O1)C(=O)CP(=O)(OC)OC)C(COCC2=CC=CC=C2)O)C","ZCJBSRLDSKBYPZ-UHFFFAOYSA-N",368558,NA,"PDBC28519","639627","Present",NA,NA
+"28520","6-O-Cyclohexylmethyl guanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-6-cyclohexylmethoxypurine",NA,"C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)N","MWGXGTJJAOZBNW-UHFFFAOYSA-N",4564,NA,"PDBC28520","707619","Present",NA,NA
+"28521","6-O-Ethyl 2-O-methyl 5-(2-ethenylphenyl)-7-methyl-3-oxo-5H-[1,3]oxazolo[3,2-a]pyrimidine-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-O-Ethyl 2-O-methyl 5-(2-ethenylphenyl)-7-methyl-3-oxo-5H-[1,3]oxazolo[3,2-a]pyrimidine-2,6-dicarboxylate",NA,"CCOC(=O)C1=C(N=C2N(C1C3=CC=CC=C3C=C)C(=O)C(O2)C(=O)OC)C","IOFPJFJRMMFRDS-UHFFFAOYSA-N",396654,NA,"PDBC28521","703168","Present",NA,NA
+"28522","6-O-Palmitoylascorbic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quicifal",NA,"CCCCCCCCCCCCCCCC(=O)OCC(C1C(=C(C(=O)O1)O)O)O","QAQJMLQRFWZOBN-UHFFFAOYSA-N",54676825,NA,"PDBC28522","402451","Present",NA,NA
+"28523","6-O/N[4'-Nitroacridone-9'(10H)-yl-7'-hydroxyl]-1'-aminocapronoyl/-MDP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-O/N[4'-Nitroacridone-9'(10H)-yl-7'-hydroxyl]-1'- amino...",NA,"CC(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)C(C)OC2C(C(OC(C2O)COC(=O)CCCCCNC3=C4C(=C(C=C3)[N+](=O)[O-])NC5=C(C4=O)C=C(C=C5)O)OCC6=CC=CC=C6)NC(=O)C","QPTTWXLIEFYNIN-AANDMGIWSA-N",6711922,NA,"PDBC28523","646614","Present",NA,NA
+"28524","6-O[N-(3'-Chloro-7'-methoxyacridyl-9')-beta-alanyl]-muramyl dipeptide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-O[N-(3'-chloro-7'-methoxyacridyl-9')-.beta.-alanyl]-mu...",NA,"CC(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC(C(C=O)NC(=O)C)C(C(COC(=O)CCNC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC)O)O","QSJYOXMWCXARLE-UKYRHMGSSA-N",5388183,NA,"PDBC28524","633091","Present",NA,NA
+"28525","6-O[N-1'-Nitroacridyl-9')-beta-alanyl]muramyl dipeptide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-O[N-1'-nitroacridyl-9')-.beta.-alanyl]muramyl dipeptide",NA,"CC(C(=O)NC(CCC(=O)N)C(=O)OCC1=CC=CC=C1)NC(=O)C(C)OC(C(C=O)NC(=O)C)C(C(COC(=O)CCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])O)O","RQYHZSZGMMPZJQ-PERXSCTPSA-N",5388185,NA,"PDBC28525","633093","Present",NA,NA
+"28526","6-Oxabicyclo[3.2.1]oct-2-en-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Oxabicyclo[3.2.1]oct-2-en-7-one",NA,"C1C=CC2CC1OC2=O","LEPIIFKETJFCNZ-UHFFFAOYSA-N",359287,NA,"PDBC28526","620031","Present",NA,NA
+"28527","6-Oxabicyclo[3.2.1]oct-3-en-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Oxabicyclo[3.2.1]-oct-3-en-7-one",NA,"C1C=CC2CC1C(=O)O2","TVEXGJYMHHTVKP-UHFFFAOYSA-N",376759,NA,"PDBC28527","657815","Present",NA,NA
+"28528","6-Oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Oxo-1,3,4,4a,5,7,8,8a-octahydroisoquinoline-2-carbonitrile",NA,"C1CC(=O)CC2C1CN(CC2)C#N","LAEFDLSCDNGKML-UHFFFAOYSA-N",359209,NA,"PDBC28528","619918","Present",NA,NA
+"28529","6-Oxo-1-phenyl-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Oxo-1-phenyl-4-(1-pyrrolidinyl)-1,6-dihydro-5-pyrimidinecarbonitrile",NA,"C1CCN(C1)C2=C(C(=O)N(C=N2)C3=CC=CC=C3)C#N","IZTJVZBYMUNPAN-UHFFFAOYSA-N",385034,NA,"PDBC28529","675887","Present",NA,NA
+"28530","6-Oxo-2,3,3a,5-tetrahydro-1H-indene-4,4-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Oxo-2,3,3a,5-tetrahydro-1H-indene-4,4-dicarboxylic acid",NA,"C1CC2C(=CC(=O)CC2(C(=O)O)C(=O)O)C1","YIYJHSHLMRDXEL-UHFFFAOYSA-N",359546,NA,"PDBC28530","620530","Present",NA,NA
+"28531","6-Oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylic acid",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)C(=O)O","HPQFHRUCKCVBBP-UHFFFAOYSA-N",400255,NA,"PDBC28531","711783","Present",NA,NA
+"28532","6-Oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide",NA,"C1C2=C(N=CN2CC(=O)N1)C(=O)N","BJLDFRKSDBEREC-UHFFFAOYSA-N",391123,NA,"PDBC28532","689741","Present",NA,NA
+"28533","6-Oxo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepine-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indolo[3,4-d]benzazepin-6(5H)-one, 9-cyano-7,12-dihydro-",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)C#N","LBVIZFWUIQSZHP-UHFFFAOYSA-N",397216,NA,"PDBC28533","704626","Present",NA,NA
+"28534","6-Oxobenzo[c]quinolizine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL321638",NA,"C1=CC=C2C(=C1)C(=O)C(=C3N2C=CC=C3)C#N","XTXMHKVVENPWKZ-UHFFFAOYSA-N",391670,NA,"PDBC28534","691212","Present",NA,NA
+"28535","6-Oxobicyclo[2.2.1]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH845309",NA,"C1C2CC(C1C(=O)C2)C(=O)O","RUOYCLYBCGDWPG-UHFFFAOYSA-N",361987,NA,"PDBC28535","625465","Present",NA,NA
+"28536","6-Oxochelidonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14-Chelidoninone",NA,"CN1C2C(C(CC3=CC4=C(C=C23)OCO4)O)C5=C(C1=O)C6=C(C=C5)OCO6","UPVAYLMWVRMHNE-UHFFFAOYSA-N",268004,NA,"PDBC28536","108018","Present",NA,NA
+"28537","6-Penta-1,3-diynylpyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC109292",NA,"CC#CC#CC1=CC=CC(=O)O1","UWYAPVRBARIIOV-UHFFFAOYSA-N",265580,NA,"PDBC28537","109292","Present",NA,NA
+"28538","6-Pentyl-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-amyl-alpha-pyrone",NA,"CCCCCC1=CC=CC(=O)O1","MAUFTTLGOUBZNA-UHFFFAOYSA-N",33960,NA,"PDBC28538","721361","Present",NA,NA
+"28539","6-Phenyl-12,13-dimethyl-12,13-dihydro-6H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,23-Dimethyl-13-phenyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,"CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)N(C4=O)C7=CC=CC=C7","ZBZAJZYSWLQWLY-UHFFFAOYSA-N",392066,NA,"PDBC28539","691878","Present",NA,NA
+"28540","6-Phenyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrrolo[3,2-e][1,2,4]triazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-2-(2,4,6-trichlorophenyl)-2,4-dihydro-3H-pyrrolo[3,2-e][1,2,4]triazin-3-one",NA,"C1=CC=C(C=C1)C2=CC3=NC(=O)N(N=C3N2)C4=C(C=C(C=C4Cl)Cl)Cl","MKUKQTWFQRECAI-UHFFFAOYSA-N",135408947,NA,"PDBC28540","647463","Present",NA,NA
+"28541","6-Phenyl-2-sulfanyl-4-(2-thienyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-4H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-2-sulfanyl-4-thiophen-2-yl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-pyridine-3-carbonitrile",NA,"C1=CC=C(C=C1)C2=CC(C(=C(N2C3C(C(C(C(O3)CO)O)O)O)S)C#N)C4=CC=CS4","SSZDHVOMNOQWBF-UHFFFAOYSA-N",385418,NA,"PDBC28541","676598","Present",NA,NA
+"28542","6-Phenyl-2-sulfanylidene-[1,3]dithiolo[4,5-b][1,4]dithiin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-2-thioxo[1,3]dithiolo[4,5-b][1,4]dithiin-5(6H)-one",NA,"C1=CC=C(C=C1)C2C(=O)SC3=C(S2)SC(=S)S3","UFYSADLNODHZMC-UHFFFAOYSA-N",362961,NA,"PDBC28542","627452","Present",NA,NA
+"28543","6-Phenyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-4,5,8-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),2(7),5,10,12,14-hexaen-3-one",NA,"C1C2=CC=CC=C2C3=C1C4=C(N3)C(=NNC4=O)C5=CC=CC=C5","FAHPAVLLYOBAND-UHFFFAOYSA-N",135426740,NA,"PDBC28543","715657","Present",NA,NA
+"28544","6-Phenyl-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-phenyl-5H-thiazolo[3,2-b][1,2,4]triazol-6-ol",NA,"C1C(N2C(=NC=N2)S1)(C3=CC=CC=C3)O","OGKUWBNMTGOHER-UHFFFAOYSA-N",388416,NA,"PDBC28544","683324","Present",NA,NA
+"28545","6-Phenyl-5,7-dihydrobenzo[d][6,7,1,3,2]benzodithiadiazaphosphonine 6-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-5,7-dihydrobenzo[d][6,7,1,3,2]benzodithiadiazaphosphonine 6-oxide",NA,"C1=CC=C(C=C1)P2(=O)NC3=CC=CC=C3SSC4=CC=CC=C4N2","YYULIQYMLPUXTK-UHFFFAOYSA-N",360396,NA,"PDBC28545","622461","Present",NA,NA
+"28546","6-Phenyl-5-[(e)-phenyldiazenyl]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-5-[(e)-phenyldiazenyl]pyrimidine-2,4-diamine",NA,"C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)N)N=NC3=CC=CC=C3","LLHNBVSNRYDYGX-UHFFFAOYSA-N",263983,NA,"PDBC28546","98710","Present",NA,NA
+"28547","6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CC=C4","YACAQGYKZIDSJC-UHFFFAOYSA-N",372269,NA,"PDBC28547","647325","Present",NA,NA
+"28548","6-Phenyl-6,7-dihydro[1,3]thiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Phenyl-10-thia-1,4,5,6,8-pentazatricyclo[7.3.0.03,7]dodeca-3,6,8-trien-2-one",NA,"C1C(SC2=NC3=NNN=C3C(=O)N21)C4=CC=CC=C4","LLZMOVWLTUEUIZ-UHFFFAOYSA-N",376968,NA,"PDBC28548","658168","Present",NA,NA
+"28549","6-Phenyl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diol",NA,"C1C(SC2=C1NC(=O)NC2=O)C3=CC=CC=C3","BTLHGUFEUSTGAN-UHFFFAOYSA-N",385453,NA,"PDBC28549","676691","Present",NA,NA
+"28550","6-Phenyl-6H-indeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-6H-indeno[1,2-c]isoquinoline-5,11-dione",NA,"C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53","WSCFBMNKAKJCHD-UHFFFAOYSA-N",334247,NA,"PDBC28550","338643","Present",NA,NA
+"28551","6-Phenyl-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl-8-(4-chlorophenyl)imidazo[1,2-a]pyrazine",NA,"C1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC=C(C=C4)Cl","HVEPLVGFUNETRM-UHFFFAOYSA-N",11243686,NA,"PDBC28551","731103","Present",NA,NA
+"28552","6-Phenyl[1,3,2]benzoxazaborolo[2,3-b][1,3,2]benzoxazaborol-6-uide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenyl[1,3,2]benzoxazaborolo[2,3-b][1,3,2]benzoxazaborol-6-uide",NA,NA,NA,NA,NA,"PDBC28552","626173","Present",NA,NA
+"28553","6-Phenylpyridazin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-phenylpyridazinone",NA,"C1=CC=C(C=C1)C2=NNC(=O)C=C2","IJUIPRDMWWBTTQ-UHFFFAOYSA-N",75106,NA,"PDBC28553","13399","Present",NA,NA
+"28554","6-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenylpyrido[2,3-d]pyrimidine-2,4-diamine",NA,"C1=CC=C(C=C1)C2=CC3=C(N=C(N=C3N=C2)N)N","BMYJLCQMYCKQCH-UHFFFAOYSA-N",385628,NA,"PDBC28554","676974","Present",NA,NA
+"28555","6-Phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl butyrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenylpyrrolo[2,1-d][1,5]benzothiazepin-7-yl butyrate",NA,"CCCC(=O)OC1=C(SC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC=C4","LILWTEOGNVXVQO-UHFFFAOYSA-N",378546,NA,"PDBC28555","661181","Present",NA,NA
+"28556","6-Phenylsulfanylbenzo[7]annulene-1,4,7-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Phenylthio-7H-benzocycloheptene-1,4,7-trione",NA,"C1=CC=C(C=C1)SC2=CC3=C(C=CC2=O)C(=O)C=CC3=O","UNYVVXCBULOCHL-UHFFFAOYSA-N",368857,NA,"PDBC28556","640192","Present",NA,NA
+"28557","6-Phenyltetrahydro-4(1H)-pyrimidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-phenylhexahydropyrimidin-4-one",NA,"C1C(NCNC1=O)C2=CC=CC=C2","QCKRAMDNVJZRBF-UHFFFAOYSA-N",362312,NA,"PDBC28557","625948","Present",NA,NA
+"28558","6-Pivaloyl-7-hydroxy-5H-dibenzo[a,c]cyclohepten-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2,2-Dimethylpropanoyl)-10-hydroxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaen-8-one",NA,"CC(C)(C)C(=O)C1=C(C2=CC=CC=C2C3=CC=CC=C3C1=O)O","XRMUZEOSJGVGAM-UHFFFAOYSA-N",394827,NA,"PDBC28558","698679","Present",NA,NA
+"28559","6-Prenylchrysoeriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-prenylchrysoeriol",NA,"CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC(=C(C=C3)O)OC)O)C","IXCUTZUASDSIJO-UHFFFAOYSA-N",403815,NA,"PDBC28559","719330","Present",NA,NA
+"28560","6-Propoxy-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Propoxy-1-tetrahydro-2H-pyran-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,"CCCOC1=NC(=C2C=NN(C2=N1)C3CCCCO3)N","ZRRGMQDFRXRSHT-UHFFFAOYSA-N",366103,NA,"PDBC28560","634377","Present",NA,NA
+"28561","6-Propyl-2,9-methylenedioxy-11H-indeno-1, 2-c]isoquinolinium Nonaflate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Propyl-2,3-methylenedioxy-8,9-methylenedioxy-11H-inden...",NA,"CCC[N+]1=CC2=CC3=C(C=C2C4=C1C5=CC6=C(C=C5C4)OCO6)OCO3.C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F","FUOIDOMSKFFDKZ-UHFFFAOYSA-M",45027902,NA,"PDBC28561","737132","Present",NA,NA
+"28562","6-Pyridin-3-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Pyridin-3-yl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CN=CC=C4","TWZOXLYMSUEJJR-UHFFFAOYSA-N",375864,NA,"PDBC28562","656162","Present",NA,NA
+"28563","6-Pyridin-4-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Pyridin-4-yl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=NC=C4","DLYSJTLASFOZBV-UHFFFAOYSA-N",376371,NA,"PDBC28563","657273","Present",NA,NA
+"28564","6-Pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801799///NSC801800///NSC803405",NA,"C1CCN(C1)C2=CC3=C(C=C2)N=C(C=C3N)C4=CC(=CC=C4)OC(F)(F)F","JOGCPGCVMKCCRI-UHFFFAOYSA-N",155809597,NA,"PDBC28564","801799///801800///803405","Present",NA,NA
+"28565","6-Pyrrolidin-1-yltetrazolo[1,5-b]pyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK208923",NA,"C1CCN(C1)C2=NN3C(=NN=N3)C=C2","ZGIBOLRGEOJQNS-UHFFFAOYSA-N",392990,NA,"PDBC28565","694232","Present",NA,NA
+"28566","6-Quinolin-3-yl-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Quinolin-3-yl-1,3,5-triazine-2,4-diamine",NA,"C1=CC=C2C(=C1)C=C(C=N2)C3=NC(=NC(=N3)N)N","ZLRYWZMZVKFOLI-UHFFFAOYSA-N",395256,NA,"PDBC28566","699728","Present",NA,NA
+"28567","6-Tert-Butyl 1-methyl 2-benzyl-4-((tert-butoxycarbonyl)amino)-3-oxohexanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Tert-Butyl 1-methyl 2-benzyl-4-((tert-butoxycarbonyl)amino)-3-oxohexanedioate",NA,"CC(C)(C)OC(=O)CC(C(=O)C(CC1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C","DNWYPCITVVOAAQ-UHFFFAOYSA-N",381431,NA,"PDBC28567","668019","Present",NA,NA
+"28568","6-Tert-Butyl-4-oxo-2-phenyl-4H-chromene-8-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Tert-Butyl-4-oxo-2-phenyl-4H-chromene-8-sulfonic acid",NA,"CC(C)(C)C1=CC2=C(C(=C1)S(=O)(=O)O)OC(=CC2=O)C3=CC=CC=C3","JKHUETDUPIETJJ-UHFFFAOYSA-N",385908,NA,"PDBC28568","677370","Present",NA,NA
+"28569","6-Tert-Butyl-7-(diethylamino)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-8-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Tert-Butyl-7-(diethylamino)-5-oxo-5H-[1,3]thiazolo[3,2-a]pyridin-8-yl acetate",NA,"CCN(CC)C1=C(C(=O)N2C=CSC2=C1OC(=O)C)C(C)(C)C","OGJGAXCGGZEEPG-UHFFFAOYSA-N",389264,NA,"PDBC28569","685017","Present",NA,NA
+"28570","6-Tert-butyl-2-(diethylamino)-5-(2,2-dimethylpropanoyl)-1,3-oxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Tert-butyl-2-(diethylamino)-5-(2,2-dimethylpropanoyl)-1,3-oxazin-4-one",NA,"CCN(CC)C1=NC(=O)C(=C(O1)C(C)(C)C)C(=O)C(C)(C)C","ZQVWKUVDGHOZCC-UHFFFAOYSA-N",384440,NA,"PDBC28570","674221","Present",NA,NA
+"28571","6-Tert-butyl-2-[(3-tert-butyl-5-chloro-2-hydroxy-6-methylphenyl)methyl]-4-chloro-3-methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-2-[(5-chloro-2-hydroxy-6-methyl-3-tert-butyl-phenyl)methyl]-3-methyl-6-tert-butyl-phenol",NA,"CC1=C(C=C(C(=C1CC2=C(C(=CC(=C2C)Cl)C(C)(C)C)O)O)C(C)(C)C)Cl","ZQGZKEMTFYZITH-UHFFFAOYSA-N",221363,NA,"PDBC28571","5857","Present",NA,NA
+"28572","6-Tert-butyl-3-(2-carboxyphenyl)-1-oxo-3-phenyl-2-benzofuran-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Tert-butyl-3-(2-carboxyphenyl)-1-oxo-3-phenyl-2-benzofuran-4-carboxylic acid",NA,"CC(C)(C)C1=CC2=C(C(=C1)C(=O)O)C(OC2=O)(C3=CC=CC=C3)C4=CC=CC=C4C(=O)O","CPVHTLBAPQBHQF-UHFFFAOYSA-N",357632,NA,"PDBC28572","617156","Present",NA,NA
+"28573","6-Tert-butyl-3-(2-cyanophenyl)-1-oxo-3-phenyl-2-benzofuran-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Tert-butyl-3-(2-cyanophenyl)-1-oxo-3-phenyl-2-benzofuran-4-carbonitrile",NA,"CC(C)(C)C1=CC(=C2C(=C1)C(=O)OC2(C3=CC=CC=C3)C4=CC=CC=C4C#N)C#N","GMLZYLBFROZKDC-UHFFFAOYSA-N",357631,NA,"PDBC28573","617155","Present",NA,NA
+"28574","6-Tert-butyl-4-[(E)-(4-fluoro-3-phenoxyphenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Tert-butyl-4-[(E)-(4-fluoro-3-phenoxyphenyl)methylideneamino]-3-sulfanylidene-2H-1,2,4-triazin-5-one",NA,"CC(C)(C)C1=NNC(=S)N(C1=O)N=CC2=CC(=C(C=C2)F)OC3=CC=CC=C3","FZTLCEBBZKPPCW-WSDLNYQXSA-N",24202929,NA,"PDBC28574","726306","Present",NA,NA
+"28575","6-Tert-butyl-4-[2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,1-bis(trifluoromethyl)spiro[2-benzofuran-3,10'-anthracene]-9'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Tert-butyl-4-[2-(chloromethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,1-bis(trifluoromethyl)spiro[2-benzofuran-3,10'-anthracene]-9'-one",NA,"CC(C)(C)C1=CC2=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)OCCl)C3(C4=CC=CC=C4C(=O)C5=CC=CC=C53)OC2(C(F)(F)F)C(F)(F)F","CBZRRAAINBQVKG-UHFFFAOYSA-N",358632,NA,"PDBC28575","618642","Present",NA,NA
+"28576","6-Tert-butyl-5-(3-methylbut-3-enyl)-2-oxido-5,6-dihydro-4H-oxazin-2-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Tert-butyl-5-(3-methylbut-3-enyl)-2-oxido-5,6-dihydro-4H-oxazin-2-ium",NA,"CC(=C)CCC1CC=[N+](OC1C(C)(C)C)[O-]","WSJCZVUMXFMQAW-UHFFFAOYSA-N",395298,NA,"PDBC28576","699779","Present",NA,NA
+"28577","6-Thia-2,10-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Thia-2,10-diazabicyclo[9.4.0]pentadeca-1(15),11,13-triene-3,9-dione",NA,"C1CSCCC(=O)NC2=CC=CC=C2NC1=O","ZUPSXGSFGBALOQ-UHFFFAOYSA-N",382458,NA,"PDBC28577","670025","Present",NA,NA
+"28578","6-Thiazolylquinazoline 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW461104A",NA,"CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl","BNEUQUONQBLCSG-UHFFFAOYSA-N",5329475,NA,"PDBC28578","756247","Present",NA,NA
+"28579","6-Thiocyanatohexa-1,5-diynyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Thiocyanatohexa-1,5-diynyl thiocyanate",NA,"C(CC#CSC#N)C#CSC#N","CSIXXMVWGHPMTG-UHFFFAOYSA-N",382245,NA,"PDBC28579","669700","Present",NA,NA
+"28580","6-Thioinosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ara-mp///Thioinosine",NA,"C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)CO)O)O","NKGPJODWTZCHGF-UHFFFAOYSA-N",2861016,NA,"PDBC28580","406021///4911","Present",NA,NA
+"28581","6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Thiophen-2-yl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC=CS4","NMFTWAYYGHNSDJ-UHFFFAOYSA-N",373177,NA,"PDBC28581","649126","Present",NA,NA
+"28582","6-Tosyl-7-phenyl-8-(tosylcarbamoyl)-2,3,6,7-tetrahydro-5H-thiazolo[3,2-c]pyrimidine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Tosyl-7-phenyl-8-(tosylcarbamoyl)-2,3,6,7-tetrahydro-5H-thiazolo[3,2-c]pyrimidine-5-one",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=C3N(CCS3)C(=O)N(C2C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C","JVYSBSAOJIJYCO-UHFFFAOYSA-N",403543,NA,"PDBC28582","718559","Present",NA,NA
+"28583","6-Vinyl-3-(8-(6-vinyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)octyl)-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethenyl-3-[8-(6-ethenyl-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazol-3-yl)octyl]-5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole",NA,"C=CC1=NC2=NN=C(N2N1)CCCCCCCCC3=NN=C4N3NC(=N4)C=C","BGBYCGKTELATRS-UHFFFAOYSA-N",394072,NA,"PDBC28583","697190","Present",NA,NA
+"28584","6-[(1,4-Dioxonaphthalen-2-yl)amino]-N-(3-phenyltellanylpropyl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(1,4-Dioxonaphthalen-2-yl)amino]-N-(3-phenyltellanylpropyl)hexanamide",NA,"C1=CC=C(C=C1)[Te]CCCNC(=O)CCCCCNC2=CC(=O)C3=CC=CC=C3C2=O","SWOLWANYRGUGNY-UHFFFAOYSA-N",44521344,NA,"PDBC28584","748896","Present",NA,NA
+"28585","6-[(1R,2R)-1,2,3-Triacetoxypropyl]-2-methoxypteridine-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694773///NSC694775",NA,"CC(=O)OCC(C(C1=CN=C2C(=N1)C(=O)NC(=N2)OC)OC(=O)C)OC(=O)C","MRONITOUWVTWJP-DGCLKSJQSA-N",135489902,NA,"PDBC28585","694773///694775","Present",NA,NA
+"28586","6-[(1R,2R)-1,2,3-Trihydroxypropyl]-2-methoxypteridine-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694772///NSC694774",NA,"COC1=NC2=NC=C(N=C2C(=O)N1)C(C(CO)O)O","AAOZUWHSFXUIFV-IYSWYEEDSA-N",135450939,NA,"PDBC28586","694772///694774","Present",NA,NA
+"28587","6-[(2,4-Difluorophenyl)methyl]-3-(4-fluorophenyl)-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-fluorophenyl)-6-(2,4-difluorobenzyl)thiazolo[4,5-d]...",NA,"C1=CC(=CC=C1N2C3=C(C(=O)N(C=N3)CC4=C(C=C(C=C4)F)F)SC2=S)F","VMBVPRWCDIMMTI-UHFFFAOYSA-N",405151,NA,"PDBC28587","722188","Present",NA,NA
+"28588","6-[(2,6-Dihydroxypyrimidin-4-yl)methylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(2,6-Dihydroxypyrimidin-4-yl)methylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one",NA,"C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SCC5=CC(=O)NC(=O)N5","HNJWTEZOJDFAKX-UHFFFAOYSA-N",391231,NA,"PDBC28588","690128","Present",NA,NA
+"28589","6-[(2-Hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(2-Hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione",NA,"CN1C(=CC(=O)N(C1=O)C)NCC(CN2CCCC2)O","WFKRMRFKSKNYJY-UHFFFAOYSA-N",11694833,NA,"PDBC28589","735034","Present",NA,NA
+"28590","6-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxole-5-carbonyl)amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(2-Methoxynaphtho[2,1-f][1,3]benzodioxole-5-carbonyl)amino]hexanoic acid",NA,"COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)C(=O)NCCCCCC(=O)O)OCO4","RYZMBNDIZBHAEI-UHFFFAOYSA-N",16748839,NA,"PDBC28590","735206","Present",NA,NA
+"28591","6-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OCC(=NO)C4=CC=C(C=C4)F","UCYIEEBWOXKTDZ-QQTULTPQSA-N",24203680,NA,"PDBC28591","729146","Present",NA,NA
+"28592","6-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,"COC1=CC=C(C=C1)C(=NO)COC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4","JIDXWDQCTGUPSK-DAFNUICNSA-N",11611054,NA,"PDBC28592","729147","Present",NA,NA
+"28593","6-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)OCC(=NO)C4=CC=CC=C4","SWLRPVVJEYDRSG-GFMRDNFCSA-N",11653610,NA,"PDBC28593","729145","Present",NA,NA
+"28594","6-[(2E)-2-Hydroxyiminopropoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(2E)-2-Hydroxyiminopropoxy]-2-phenylchromen-4-one",NA,"CC(=NO)COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3","FGHPWYWFVQUZPC-XDHOZWIPSA-N",24203679,NA,"PDBC28594","729144","Present",NA,NA
+"28595","6-[(2S)-2,3-Dihydroxypropyl]-3-methylsulfanylindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-6-(2,3-dihydroxypropyl)-3-(methylthio)-5H-indeno[1,2...",NA,"CSC1=CC2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC(CO)O","WIDCTOWQCDKMRN-NSHDSACASA-N",122179157,NA,"PDBC28595","780897","Present",NA,NA
+"28596","6-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one",NA,"CON=C(COC1=CC2=C(C=C1)OC(=CC2=O)C3=CC=CC=C3)C4=CC=C(C=C4)F","WNPVKJAWZGIJBE-YYADALCUSA-N",24205364,NA,"PDBC28596","735315","Present",NA,NA
+"28597","6-[(2Z)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(2Z)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,"COC1=CC=C(C=C1)C(=NOC)COC2=CC3=C(C=C2)OC(=CC3=O)C4=CC=CC=C4","XJSIWMNINPPMHK-XTCLZLMSSA-N",24205363,NA,"PDBC28597","735314","Present",NA,NA
+"28598","6-[(3,4-Dimethoxyphenyl)-[2-[[(3,4-dimethoxyphenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]amino]ethylamino]methyl]-1,3-benzodioxol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(3,4-Dimethoxyphenyl)-[2-[[(3,4-dimethoxyphenyl)-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]amino]ethylamino]methyl]-1,3-benzodioxol-5-ol",NA,"COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)NCCNC(C4=CC(=C(C=C4)OC)OC)C5=CC6=C(C=C5O)OCO6)OC","URYLRAKDSCHUMZ-UHFFFAOYSA-N",341099,NA,"PDBC28598","372585","Present",NA,NA
+"28599","6-[(3-Amino-n-propyl)amino-1-propyl]-5,3-dimetho xy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoli ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(3-Amino-n-propyl)amino-1-propyl]-5,6-dihydro-2,3-dim...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCN)OC","ZHASIPINVXWTEX-UHFFFAOYSA-N",11317241,NA,"PDBC28599","724563","Present",NA,NA
+"28600","6-[(3-Diethoxybutylamino)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(3-Diethoxybutylamino)-1-propyl]-5,6-dihdro-2,3-dimet...",NA,"CCOC(CCCNCCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5)OCC","QZDYWJSYXCCEMB-UHFFFAOYSA-N",45027852,NA,"PDBC28600","728092","Present",NA,NA
+"28601","6-[(3-Methoxyphenyl)iminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(3-Methoxyphenyl)iminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,"COC1=CC=CC(=C1)N=CC2=C3N(C4=CC=CC=C4O3)C(=O)C5=CC=CC=C52","WXOZQEIZTZBEEF-UHFFFAOYSA-N",24204703,NA,"PDBC28601","732507","Present",NA,NA
+"28602","6-[(3-Thiazolylamino)-1-propyl]-5,3-dimethoxy-~ 8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(3-Thiazolylamino)-1-propyl]-5,6-dihydro-2,3-dimethox...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNC6=NCCS6)OC.Cl","DZUOYYFPEQVSPK-UHFFFAOYSA-N",45027819,NA,"PDBC28602","725775","Present",NA,NA
+"28603","6-[(3-Thiomorpholyl)-1-propyl)-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(3-Thiomorpholyl)-1-propyl)-5,6-dihydro-2,3-dimethoxy...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCSCC6)OC","WXILFLQKTZOHLZ-UHFFFAOYSA-N",16090534,NA,"PDBC28603","727298","Present",NA,NA
+"28604","6-[(3-Trifluoroacetyl)oxy-1-propyl]-5,3-dimethox y-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinolin e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(3-Trifluoroacetyl)oxy-1-propyl]-5,6-dihydro-2,3-dime...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCOC(=O)C(F)(F)F)OC","VFWZKRZOYVAGPX-UHFFFAOYSA-N",11375566,NA,"PDBC28604","726972","Present",NA,NA
+"28605","6-[(3E)-4,8-Dimethylnona-3,7-dienyl]-6-methyl-3-oxabicyclo[3.1.0]hexan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(3E)-4,8-Dimethylnona-3,7-dienyl]-6-methyl-3-oxabicyclo[3.1.0]hexan-4-one",NA,"CC(=CCCC(=CCCC1(C2C1C(=O)OC2)C)C)C","XYKJDLVRFKVNJG-UKTHLTGXSA-N",5468937,NA,"PDBC28605","679288","Present",NA,NA
+"28606","6-[(4-Azidophenyl)methylamino]pyrimidine-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(4-Azidophenyl)methylamino]-1H-pyrimidine-2,4-dione",NA,"C1=CC(=CC=C1CNC2=CC(=O)NC(=O)N2)N=[N+]=[N-]","YXXTVUPYZYOKIO-UHFFFAOYSA-N",387681,NA,"PDBC28606","681707","Present",NA,NA
+"28607","6-[(4-Chlorophenyl)diazenyl]-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine-2,4(1H,3H)-dione, 6-[(4-chlorophenyl)azo]-",NA,"C1=CC(=CC=C1N=NC2=CC(=O)NC(=O)N2)Cl","VTVWKVYGAZNCRN-UHFFFAOYSA-N",388636,NA,"PDBC28607","683648","Present",NA,NA
+"28608","6-[(4-Chlorophenyl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(4-Chlorophenyl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione",NA,"CN1C(=O)C=C(NC1=O)NCC2=CC=C(C=C2)Cl","QIYLWYWMVWSTOC-UHFFFAOYSA-N",388633,NA,"PDBC28608","683645","Present",NA,NA
+"28609","6-[(4-FMOCamino)-1-butyl]-5,3-dimethoxy-8,9-meth ylenedioxy-5,11-dioxo-11H-indeno[1,2-c-isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(4-FMOCamino)-1-butyl]-5,6-dihydro-2,3-dimethoxy-8,9-...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCCNC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68)OC","DMEZSHDZTBJXKD-UHFFFAOYSA-N",45027837,NA,"PDBC28609","727354","Present",NA,NA
+"28610","6-[(4-Methoxyphenyl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(4-Methoxyphenyl)methylamino]-3-methyl-1H-pyrimidine-2,4-dione",NA,"CN1C(=O)C=C(NC1=O)NCC2=CC=C(C=C2)OC","UVGDRVJFOXAEJK-UHFFFAOYSA-N",388640,NA,"PDBC28610","683652","Present",NA,NA
+"28611","6-[(4-Tert-BOCamino)-1-butyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(4-tert-BOCamino)-1-butyl]-5,6-dihydro-2,3-dimethoxy-...",NA,"CC(C)(C)OC(=O)NCCCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5","SKVQLOWNASQCDB-UHFFFAOYSA-N",45027838,NA,"PDBC28611","727355","Present",NA,NA
+"28612","6-[(5-Morpholyl-3-aminoethyl)-1-propyl]-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(5-Morpholyl-3-aminoethyl)-1-propyl]-5,6-dihydro-2,3-...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCN6CCOCC6)OC","CYHZOMLNHVKVMJ-UHFFFAOYSA-N",16090544,NA,"PDBC28612","725666","Present",NA,NA
+"28613","6-[(7-Methoxy-2-methyl-1-benzofuran-4-yl)oxy]benzo[f][1,3]benzodioxol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(7-Methoxy-2-methyl-1-benzofuran-4-yl)oxy]naphtho[2,3-d][1,3]dioxol-5-ol",NA,"CC1=CC2=C(C=CC(=C2O1)OC)OC3=C(C4=CC5=C(C=C4C=C3)OCO5)O","UUJIRNAGMIUKOM-UHFFFAOYSA-N",402342,NA,"PDBC28613","716249","Present",NA,NA
+"28614","6-[(Carboxycarbonyl)amino]-2-(carboxymethyl)-3-oxo-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(Carboxycarbonyl)amino]-2-(carboxymethyl)-3-oxo-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide",NA,"C1=CC2=C(C=C1NC(=O)C(=O)O)S(=O)(=O)N(C2=O)CC(=O)O","ZFSYXHKBHBRPQZ-UHFFFAOYSA-N",394318,NA,"PDBC28614","697687","Present",NA,NA
+"28615","6-[(Cyclopentylamino)methyl]pyrimidine-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(Cyclopentylamino)methyl]pyrimidine-2,4-diol",NA,"C1CCC(C1)NCC2=CC(=O)NC(=O)N2","GUQZAZIFPNMISR-UHFFFAOYSA-N",387539,NA,"PDBC28615","681449","Present",NA,NA
+"28616","6-[(E)-(4-Methoxyphenyl)methyleneamino]-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(E)-(4-Methoxyphenyl)methyleneamino]-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one",NA,"COC1=CC=C(C=C1)C=NN2C=NC3=C(C2=O)SC(=S)N3C4=CC=CC=C4","DPMGIKOJHXBZMW-SRZZPIQSSA-N",9571399,NA,"PDBC28616","652031","Present",NA,NA
+"28617","6-[(E)-(4-Methoxyphenyl)methyleneamino]-5-methyl-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(E)-(4-Methoxyphenyl)methyleneamino]-5-methyl-3-phenyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one",NA,"CC1=NC2=C(C(=O)N1N=CC3=CC=C(C=C3)OC)SC(=S)N2C4=CC=CC=C4","PLCJCICVMXUWLP-CIAFOILYSA-N",9571400,NA,"PDBC28617","652032","Present",NA,NA
+"28618","6-[(E)-2-(3-Methoxyphenyl)ethenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(E)-2-(3-Methoxyphenyl)ethenyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one",NA,"COC1=CC=CC(=C1)C=CC2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)N2","ULTRGZWWFOUMRD-ZHACJKMWSA-N",135433200,NA,"PDBC28618","744227","Present",NA,NA
+"28619","6-[(E)-3-Hydroxyprop-1-enyl]-4-methoxy-5-methylpyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(E)-3-Hydroxyprop-1-enyl]-4-methoxy-5-methylpyran-2-one",NA,"CC1=C(OC(=O)C=C1OC)C=CCO","WVTVMPKBZKCDAR-ONEGZZNKSA-N",5387142,NA,"PDBC28619","621098","Present",NA,NA
+"28620","6-[(E)-3-Phenylprop-2-enyl]sulfanyl-7H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(E)-3-Phenylprop-2-enyl]sulfanyl-7H-purin-2-amine",NA,"C1=CC=C(C=C1)C=CCSC2=NC(=NC3=C2NC=N3)N","UYLRIWLPRPMLQC-QPJJXVBHSA-N",5351751,NA,"PDBC28620","36824","Present",NA,NA
+"28621","6-[(Norbornan-2-ylamino)methyl]pyrimidine-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(Norbornan-2-ylamino)methyl]pyrimidine-2,4-diol",NA,"C1CC2CC1CC2NCC3=CC(=O)NC(=O)N3","WQYSLFVTKWFIES-UHFFFAOYSA-N",387538,NA,"PDBC28621","681448","Present",NA,NA
+"28622","6-[(Pyridin-3-ylmethyl)sulfanyl]-7H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC133594",NA,"C1=CC(=CN=C1)CSC2=NC=NC3=C2NC=N3","YKLRWNKTMVBHDK-UHFFFAOYSA-N",3246462,NA,"PDBC28622","133594","Present",NA,NA
+"28623","6-[(Z)-(4,5-Dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(Z)-(4,5-Dihydro-1H-imidazol-2-ylhydrazinylidene)methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,"C1CN=C(N1)NN=CC2=C3N(C4=CC=CC=C4O3)C(=O)C5=CC=CC=C52","CWRBEYUWBTVLJE-JJFYIABZSA-N",24203690,NA,"PDBC28623","729157","Present",NA,NA
+"28624","6-[(Z)-Hydrazinylidenemethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(Z)-Hydrazinylidenemethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,"C1=CC=C2C(=C1)C(=C3N(C2=O)C4=CC=CC=C4O3)C=NN","UBFYCYWUQUHNNF-NVMNQCDNSA-N",24203689,NA,"PDBC28624","729156","Present",NA,NA
+"28625","6-[1,3-Benzodioxol-5-yl-[4-[1,3-benzodioxol-5-yl-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[1,3-benzodioxol-5-yl-[4-[1,3-benzodioxol-5-yl-(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol",NA,"C1CN(CCN1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4O)OCO5)C(C6=CC7=C(C=C6)OCO7)C8=CC9=C(C=C8O)OCO9","VDOTYYGPDCAYHS-UHFFFAOYSA-N",339992,NA,"PDBC28625","369079","Present",NA,NA
+"28626","6-[1-[(4-Chlorophenyl)methyl]-5-oxopyrrolidin-2-yl]-3-methyl-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[1-(4-Chlorobenzyl)-5-oxopyrrolidin-2-yl]-3-methyl-1,3-benzoxazol-2(3H)-one",NA,"CN1C2=C(C=C(C=C2)C3CCC(=O)N3CC4=CC=C(C=C4)Cl)OC1=O","XFWTULNZDIIKDT-UHFFFAOYSA-N",367277,NA,"PDBC28626","636827","Present",NA,NA
+"28627","6-[2,4-Bis(sulfanyl)quinazolin-6-yl]sulfanylquinazoline-2,4-dithiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2,4-Bis(sulfanyl)quinazolin-6-yl]sulfanylquinazoline-2,4-dithiol",NA,"C1=CC2=C(C=C1SC3=CC4=C(C=C3)NC(=S)NC4=S)C(=S)NC(=S)N2","RPOASIIHELSSLC-UHFFFAOYSA-N",3005395,NA,"PDBC28627","695932","Present",NA,NA
+"28628","6-[2-(1-Piperidyl)-2-thioxo-ethyl]-3H-1,3-benzothiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Piperidin-1-yl-2-thioxoethyl)-1,3-benzothiazol-2(3h)-one",NA,"C1CCN(CC1)C(=S)CC2=CC3=C(C=C2)NC(=O)S3","BMHPYJQNVAIYTK-UHFFFAOYSA-N",391471,NA,"PDBC28628","690676","Present",NA,NA
+"28629","6-[2-(1-Piperidyl)acetyl]-3H-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Piperidin-1-ylacetyl)-1,3-benzoxazol-2(3h)-one",NA,"C1CCN(CC1)CC(=O)C2=CC3=C(C=C2)NC(=O)O3","SNLDRRAMWXXMKI-UHFFFAOYSA-N",391461,NA,"PDBC28629","690666","Present",NA,NA
+"28630","6-[2-(2-Diazopropanoyl)phenyl]hex-5-yn-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-1-[2-(5-oxohex-1-yn-1-yl)phenyl]prop-1-en-1-olate",NA,"CC(=O)CCC#CC1=CC=CC=C1C(=O)C(=[N+]=[N-])C","QSVSHJNUAUKTJW-UHFFFAOYSA-N",373279,NA,"PDBC28630","649431","Present",NA,NA
+"28631","6-[2-(2-Hydroxyethylamino)ethyliminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(2-Hydroxyethylamino)ethyliminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,"C1=CC=C2C(=C1)C(=C3N(C2=O)C4=CC=CC=C4O3)C=NCCNCCO","PNWYYAPCPSINFZ-UHFFFAOYSA-N",24203687,NA,"PDBC28631","729154","Present",NA,NA
+"28632","6-[2-(2-Naphthyl)-2-oxo-ethyl]-3-[7-[6-[2-(2-naphthyl)-2-oxo-ethyl]-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Naphthalen-2-yl-2-oxoethyl)-3-[7-[6-(2-naphthalen-2-yl-2-oxoethyl)-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CC3=NC4=NN=C(N4C3=O)CCCCCCCC5=NN=C6N5C(=O)C(=N6)CC(=O)C7=CC8=CC=CC=C8C=C7","GWARWRVAGRSIFK-UHFFFAOYSA-N",362251,NA,"PDBC28632","625855","Present",NA,NA
+"28633","6-[2-(2-Phenylethynyl)phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(2-Phenylethynyl)phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C=C1)C#CC2=CC=CC=C2C#CCCCCO","XISJXWAPAVOZTH-UHFFFAOYSA-N",24203326,NA,"PDBC28633","727544","Present",NA,NA
+"28634","6-[2-(2-Pyrazin-2-ylethynyl)phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(2-Pyrazin-2-ylethynyl)phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=NC=CN=C2","DMMWXDBPKZRBJA-UHFFFAOYSA-N",24205314,NA,"PDBC28634","735003","Present",NA,NA
+"28635","6-[2-(2-Pyridin-2-ylethynyl)phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(2-Pyridin-2-ylethynyl)phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CC=N2","NALHGNQERBQPBN-UHFFFAOYSA-N",24205310,NA,"PDBC28635","734998","Present",NA,NA
+"28636","6-[2-(2-Pyridin-3-ylethynyl)phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(2-Pyridin-3-ylethynyl)phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CN=CC=C2","YFIGGLQDEOWRSF-UHFFFAOYSA-N",24205410,NA,"PDBC28636","735439","Present",NA,NA
+"28637","6-[2-(2-Thiophen-2-ylethynyl)phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(2-Thiophen-2-ylethynyl)phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CS2","UHBDIEGBSKMSHL-UHFFFAOYSA-N",24205311,NA,"PDBC28637","734999","Present",NA,NA
+"28638","6-[2-(3,5-Dibromo-4-hydroxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{[2-(3,5-Dibromo-4-hydroxyphenyl)ethyl]amino}-1H-benzimidazole-4,7-dione",NA,"C1=C(C=C(C(=C1Br)O)Br)CCNC2=CC(=O)C3=C(C2=O)NC=N3","FCYQOXDAMBJJMS-UHFFFAOYSA-N",380677,NA,"PDBC28638","666377","Present",NA,NA
+"28639","6-[2-(3,5-Dibromo-4-hydroxyphenyl)ethylamino]quinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{[2-(3,5-Dibromo-4-hydroxyphenyl)ethyl]amino}quinoline-5,8-dione",NA,"C1=CC2=C(C(=O)C=C(C2=O)NCCC3=CC(=C(C(=C3)Br)O)Br)N=C1","CKCWQQNKRKNINM-UHFFFAOYSA-N",381593,NA,"PDBC28639","668393","Present",NA,NA
+"28640","6-[2-(3,5-Dichloro-4-hydroxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{[2-(3,5-Dichloro-4-hydroxyphenyl)ethyl]amino}-1h-benzimidazole-4,7-dione",NA,"C1=C(C=C(C(=C1Cl)O)Cl)CCNC2=CC(=O)C3=C(C2=O)NC=N3","UQTPOMIIMHFKQA-UHFFFAOYSA-N",384097,NA,"PDBC28640","673319","Present",NA,NA
+"28641","6-[2-(4-Benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(4-Benzylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one",NA,"C1CN(CCN1CC2=CC=CC=C2)CC(=O)C3=CC4=C(C=C3)NC(=O)O4","PPIWMIWZXVTXOK-UHFFFAOYSA-N",391463,NA,"PDBC28641","690668","Present",NA,NA
+"28642","6-[2-(4-Hydroxy-3-methoxyphenyl)ethylamino]-1H-benzimidazole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{[2-(4-Hydroxy-3-methoxyphenyl)ethyl]amino}-1h-benzimidazole-4,7-dione",NA,"COC1=C(C=CC(=C1)CCNC2=CC(=O)C3=C(C2=O)NC=N3)O","FBNWFVACGUHNDN-UHFFFAOYSA-N",385175,NA,"PDBC28642","676179","Present",NA,NA
+"28643","6-[2-(4-Methoxyphenyl)-2-oxo-ethyl]-3-[7-[6-[2-(4-methoxyphenyl)-2-oxo-ethyl]-5-oxo-imidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(4-Methoxyphenyl)-2-oxoethyl]-3-[7-[6-[2-(4-methoxyphenyl)-2-oxoethyl]-5-oxoimidazo[2,1-c][1,2,4]triazol-3-yl]heptyl]imidazo[2,1-c][1,2,4]triazol-5-one",NA,"COC1=CC=C(C=C1)C(=O)CC2=NC3=NN=C(N3C2=O)CCCCCCCC4=NN=C5N4C(=O)C(=N5)CC(=O)C6=CC=C(C=C6)OC","HGIPWYJUTYWBPD-UHFFFAOYSA-N",362245,NA,"PDBC28643","625849","Present",NA,NA
+"28644","6-[2-(4-Phenyl-1-piperazinyl)-2-thioxoethyl]benzoxazole-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(4-Phenyl-1-piperazinyl)-2-thioxoethyl]benzoxazole-2(3H)-one",NA,"C1CN(CCN1C2=CC=CC=C2)C(=S)CC3=CC4=C(C=C3)NC(=O)O4","JEYKIGWMSHNTBA-UHFFFAOYSA-N",391458,NA,"PDBC28644","690662","Present",NA,NA
+"28645","6-[2-(4-Phenylpiperazin-1-yl)-2-thioxo-ethyl]-3H-1,3-benzothiazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(4-Phenylpiperazin-1-yl)-2-thioxoethyl]-1,3-benzothiazol-2(3h)-one",NA,"C1CN(CCN1C2=CC=CC=C2)C(=S)CC3=CC4=C(C=C3)NC(=O)S4","FUOCEEAFEGERRU-UHFFFAOYSA-N",391473,NA,"PDBC28645","690678","Present",NA,NA
+"28646","6-[2-(4-Phenylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(4-Phenylpiperazin-1-yl)acetyl]-3H-1,3-benzoxazol-2-one",NA,"C1CN(CCN1CC(=O)C2=CC3=C(C=C2)NC(=O)O3)C4=CC=CC=C4","HQRCKGFZXWPQBR-UHFFFAOYSA-N",391455,NA,"PDBC28646","690659","Present",NA,NA
+"28647","6-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(Azepan-1-yl)ethylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one",NA,"C1CCCN(CC1)CCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","CJWUANWMBFRMCH-UHFFFAOYSA-N",396742,NA,"PDBC28647","703452","Present",NA,NA
+"28648","6-[2-(Dimethylamino)ethoxy]-3,9-dimethoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-(dimethylamino)ethoxy)-3,9-dimethoxy-11H-indeno[1,2...",NA,"CN(C)CCOC1=NC2=C(C=CC(=C2)OC)C3=C1C4=C(C3=O)C=C(C=C4)OC","IBZBATWQSZQCDS-UHFFFAOYSA-N",155816705,NA,"PDBC28648","781402","Present",NA,NA
+"28649","6-[2-(Dimethylamino)ethylamino]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(Dimethylamino)ethylamino]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,"CN(C)CCNC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC","MYWIUUPHQNZRLA-UHFFFAOYSA-N",24205207,NA,"PDBC28649","734625","Present",NA,NA
+"28650","6-[2-(Dimethylamino)ethylamino]indeno[2,1-c]quinolin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{[2-(Dimethylamino)ethyl]amino}-7h-indeno[2,1-c]quinolin-7-one",NA,"CN(C)CCNC1=NC2=CC=CC=C2C3=C1C(=O)C4=CC=CC=C43","JOSQLWOOECWACK-UHFFFAOYSA-N",402859,NA,"PDBC28650","717123","Present",NA,NA
+"28651","6-[2-(Dimethylamino)ethyliminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-(Dimethylamino)ethyliminomethyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,"CN(C)CCN=CC1=C2N(C3=CC=CC=C3O2)C(=O)C4=CC=CC=C41","BAWLZUYKRUVXSN-UHFFFAOYSA-N",24203685,NA,"PDBC28651","729152","Present",NA,NA
+"28652","6-[2-Amino-1-ethyl]-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-Amino-1-ethyl]-5,6-dihydro-2,3-dimethoxy-8,9-methyl...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCN)OC.Cl","HGKJLPYOQQNYSU-UHFFFAOYSA-N",45027828,NA,"PDBC28652","726331","Present",NA,NA
+"28653","6-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethylamino]hexane-1,2,3,4,5-pentol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethylamino]hexane-1,2,3,4,5-pentol",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCNCC(C(C(C(CO)O)O)O)O","VYSSNMXAQKAHJG-VFCFBJKWSA-N",135436308,NA,"PDBC28653","717862","Present",NA,NA
+"28654","6-[2-[2-(2-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-(2-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CC=C2N","PDXXQBBYKBODQH-UHFFFAOYSA-N",24205403,NA,"PDBC28654","735432","Present",NA,NA
+"28655","6-[2-[2-(2-Fluorophenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-(2-Fluorophenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CC=C2F","GYVWWKYIVZFMML-UHFFFAOYSA-N",24205411,NA,"PDBC28655","735440","Present",NA,NA
+"28656","6-[2-[2-(2-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-(2-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,"COC1=CC=CC=C1C#CC2=CC=CC=C2C#CCCCCO","VMQKRCQNXSTSCB-UHFFFAOYSA-N",24205309,NA,"PDBC28656","734997","Present",NA,NA
+"28657","6-[2-[2-(2-Methylsulfanylphenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-(2-Methylsulfanylphenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,"CSC1=CC=CC=C1C#CC2=CC=CC=C2C#CCCCCO","LQRAQTIILMNGBL-UHFFFAOYSA-N",24205312,NA,"PDBC28657","735000","Present",NA,NA
+"28658","6-[2-[2-(3-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-(3-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,"COC1=CC=CC(=C1)C#CC2=CC=CC=C2C#CCCCCO","GVHLBCGUUZNEOB-UHFFFAOYSA-N",24205316,NA,"PDBC28658","735005","Present",NA,NA
+"28659","6-[2-[2-(4-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-(4-Aminophenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=C(C=C2)N","JZFQPWIECQDDFU-UHFFFAOYSA-N",24205405,NA,"PDBC28659","735434","Present",NA,NA
+"28660","6-[2-[2-(4-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-(4-Methoxyphenyl)ethynyl]phenyl]hex-5-yn-1-ol",NA,"COC1=CC=C(C=C1)C#CC2=CC=CC=C2C#CCCCCO","SQSWXANKJZZKCA-UHFFFAOYSA-N",24205404,NA,"PDBC28660","735433","Present",NA,NA
+"28661","6-[2-[2-[2-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-[2-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=CC=C2C(F)(F)F","WNTFVUOLHLHQBE-UHFFFAOYSA-N",16750522,NA,"PDBC28661","735001","Present",NA,NA
+"28662","6-[2-[2-[2-[2-(5-Cyanopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-[2-[2-(5-Cyanopentoxy)ethoxy]ethoxy]ethoxy]ethoxy]hexanenitrile",NA,"C(CCC#N)CCOCCOCCOCCOCCOCCCCCC#N","IBWHRQHSXMQIDN-UHFFFAOYSA-N",362086,NA,"PDBC28662","625609","Present",NA,NA
+"28663","6-[2-[2-[3-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-[3-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC(=CC=C2)C(F)(F)F","IVFZKGFLNSPMII-UHFFFAOYSA-N",24205414,NA,"PDBC28663","735443","Present",NA,NA
+"28664","6-[2-[2-[4-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[2-[2-[4-(Trifluoromethyl)phenyl]ethynyl]phenyl]hex-5-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCCCCO)C#CC2=CC=C(C=C2)C(F)(F)F","PZINZNCLFVLIBB-UHFFFAOYSA-N",24205415,NA,"PDBC28664","735444","Present",NA,NA
+"28665","6-[2-[[5-[2-(5-Cyanopentoxy)ethoxymethyl]-2,2-bis[7-(3,5-ditert-butylphenyl)heptyl]-1,3-dioxolan-4-yl]methoxy]ethoxy]hexanenitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-((5-((2-((5-Cyanopentyl)oxy)ethoxy)methyl)-2,2-bis(7-(3,5-di-tert-butylphenyl)heptyl)-1,3-dioxolan-4-yl)methoxy)ethoxy)hexanenitrile",NA,"CC(C)(C)C1=CC(=CC(=C1)CCCCCCCC2(OC(C(O2)COCCOCCCCCC#N)COCCOCCCCCC#N)CCCCCCCC3=CC(=CC(=C3)C(C)(C)C)C(C)(C)C)C(C)(C)C","QWZBHPQQLAXIGH-UHFFFAOYSA-N",362089,NA,"PDBC28665","625612","Present",NA,NA
+"28666","6-[3-((2,6-Dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c] isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-((2,2-Dimethoxyethylamino)-1-propyl)]-5,6-dihydro-2...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCC(OC)OC)OC","PEKKBCHVPPPQBM-UHFFFAOYSA-N",11363962,NA,"PDBC28666","726332","Present",NA,NA
+"28667","6-[3-(1,6-Dihyd ro-2,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1, 2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(1,1'-Dimethyl-2-hydroxyethyl)amino-1-propyl]-5,6-d...",NA,"CC(C)(CO)NCCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5.Cl","KSRKNWDNPRGTGK-UHFFFAOYSA-N",45027832,NA,"PDBC28667","726971","Present",NA,NA
+"28668","6-[3-(2-Amino-ethylamino)-1-propyl]-5,3-dimethox y-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinolin e hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(2-Amino-ethylamino)-1-propyl]-5,6-dihydro-2,3-dime...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCN)OC.Cl","DKYMXCAOVXPMDJ-UHFFFAOYSA-N",45027807,NA,"PDBC28668","724057","Present",NA,NA
+"28669","6-[3-(2-Aminoethylamino)]-bis{1-propyl)-5,3-dime thoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquin oline} dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(2-Aminoethylamino)]-bis{1-propyl)-5,6-dihydro-2,3-...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN(CCCN6C7=C(C8=CC(=C(C=C8C6=O)OC)OC)C(=O)C9=CC1=C(C=C97)OCO1)CCN)OC.Cl","MRCFKPHCMGUNSB-UHFFFAOYSA-N",45027842,NA,"PDBC28669","727620","Present",NA,NA
+"28670","6-[3-(2-Hydroxyethyl)-methylamino-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]iso quinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(2-Hydroxyethyl)-methylamino-1-propyl]-5,6-dihydro-...",NA,"CN(CCCN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5)CCO.Cl","OHQXNKDGRCBFHA-UHFFFAOYSA-N",45027893,NA,"PDBC28670","735036","Present",NA,NA
+"28671","6-[3-(2-Hydroxyethylamino)propyl]-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-[3-(2-hydroxyethyl)amino-1-propyl]-3-nitro...",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCNCCO.Cl","IYWXVRZSIDJINY-UHFFFAOYSA-N",17755739,NA,"PDBC28671","740504","Present",NA,NA
+"28672","6-[3-(3,3-Dimethyl-6-oxo-2-piperidyl)-2-oxo-propyl]-5,5-dimethyl-piperidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(3,3-Dimethyl-6-oxo-2-piperidyl)-2-oxo-propyl]-5,5-dimethyl-piperidin-2-one",NA,"CC1(CCC(=O)NC1CC(=O)CC2C(CCC(=O)N2)(C)C)C","QSRWDLIAAKFUEJ-UHFFFAOYSA-N",225397,NA,"PDBC28672","14703","Present",NA,NA
+"28673","6-[3-(3-Hydroxypiperidinyl)-1-propyl]-5,3-dimeth oxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinol ine Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(3-Hydroxypiperidinyl)-1-propyl]-5,6-dihydro-2,3-di...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCCC(C6)O)OC.Cl","OMLXDEGLKQMBMU-UHFFFAOYSA-N",16090535,NA,"PDBC28673","728318","Present",NA,NA
+"28674","6-[3-(4,6-Diamino-1,3,5-triazin-2-yl)propyl]-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-(propane-1,3-diyl)bis(1,3,5-triazine-2,4-diamine)",NA,"C(CC1=NC(=NC(=N1)N)N)CC2=NC(=NC(=N2)N)N","FKMPMGPMZGQACL-UHFFFAOYSA-N",265617,NA,"PDBC28674","101824","Present",NA,NA
+"28675","6-[3-(4-Aminopiperidine)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(4-Aminopiperidine)-1-propyl]-5,6-dihydro-2,3-dimet...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCC(CC6)N)OC.Cl","BZZQIPXPDKBZTR-UHFFFAOYSA-N",45027850,NA,"PDBC28675","728090","Present",NA,NA
+"28676","6-[3-(Aminobutylamino)-1-propyl]-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(Aminobutylamino)-1-propyl]-5,6-dihydro-2,3-dimetho...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCCN)OC.Cl","ATSIOJKSWLWVGN-UHFFFAOYSA-N",45027848,NA,"PDBC28676","728089","Present",NA,NA
+"28677","6-[3-(Azidomethyl)anilino]pyrimidine-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(Azidomethyl)anilino]pyrimidine-2,4-diol",NA,"C1=CC(=CC(=C1)NC2=CC(=O)NC(=O)N2)CN=[N+]=[N-]","BUYOVSHDKNGGOT-UHFFFAOYSA-N",387680,NA,"PDBC28677","681706","Present",NA,NA
+"28678","6-[3-(Benzyloxy)phenyl]-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-[3-(phenylmethox...",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)OCC5=CC=CC=C5","DJGZUHVFQISGQA-UHFFFAOYSA-N",376377,NA,"PDBC28678","657279","Present",NA,NA
+"28679","6-[3-(Bis-hydroxyethylamino)-1-propyl]-5,3-~ dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(Bis-hydroxyethylamino)-1-propyl]-5,6-dihydro-2,3-~...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN(CCO)CCO)OC.Cl","WLYJHORQQHFUSE-UHFFFAOYSA-N",10346993,NA,"PDBC28679","725774","Present",NA,NA
+"28680","6-[3-(Dimethylamino)propoxy]-9-methylindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(dimethylamino)propoxy)-9-methyl-11H-indeno[1,2-c]q...",NA,"CC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3OCCCN(C)C","ZOCCYZQSRUSIEA-UHFFFAOYSA-N",155815323,NA,"PDBC28680","781401","Present",NA,NA
+"28681","6-[3-(Dimethylamino)propyl]-3-piperazin-1-ylindeno[1,2-c]isoquinoline-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(Dimethylamino)propyl)-3-(piperazin-1-yl)-5H-indeno...",NA,"CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)N4CCNCC4)C(=O)C5=CC=CC=C52","SOHWZANFZFYRMK-UHFFFAOYSA-N",155814995,NA,"PDBC28681","784743","Present",NA,NA
+"28682","6-[3-(Dimethylamino)propyl]-9-methoxyindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-9-methoxy-6-(3-dimethylamino-1-propyl)-5,11-...",NA,"CN(C)CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=C2C=CC(=C4)OC.Cl","PELUBCPNADFUQS-UHFFFAOYSA-N",17755977,NA,"PDBC28682","740647","Present",NA,NA
+"28683","6-[3-(Dimethylamino)propylamino]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-(Dimethylamino)propylamino]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,"CN(C)CCCNC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC","JABMALRNMHHOAJ-UHFFFAOYSA-N",24205208,NA,"PDBC28683","734626","Present",NA,NA
+"28684","6-[3-(Methylamino)propyl]-4-thiophen-3-ylpyrrolo[3,4-c]carbazole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[3,4-c]carbazole-1,3(2H,6H)-dione, 6-[3-(methylam...",NA,"CNCCCN1C2=CC=CC=C2C3=C1C=C(C4=C3C(=O)NC4=O)C5=CSC=C5","WTOWBVAIDHKDOZ-UHFFFAOYSA-N",378525,NA,"PDBC28684","661153","Present",NA,NA
+"28685","6-[3-(Trifluoromethoxy)phenyl]-1,3-dioxolo[4,5-g]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dioxolo[4,5-g]quinolin-8(5H)-one, 6-[3-(trifluoromet...",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)OC(F)(F)F","IYBJZXPQNXNJSV-UHFFFAOYSA-N",376373,NA,"PDBC28685","657275","Present",NA,NA
+"28686","6-[3-[(2-Methoxyphenyl)methylamino]propyl]-13-[3-[3-(methylamino)propylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-((2-methoxybenzyl)amino)propyl)-7-(3-((3-(methylami...",NA,"CNCCCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC5=CC=CC=C5OC)C1=O","XIFGIYMMMUFHAH-UHFFFAOYSA-N",137648985,NA,"PDBC28686","774933","Present",NA,NA
+"28687","6-[3-[(2-Methoxyphenyl)methylamino]propyl]-13-[3-[4-[3-(methylamino)propylamino]butylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-((2-methoxybenzyl)amino)propyl)-7-(3-((4-((3-(methy...",NA,"CNCCCNCCCCNCCCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCCNCC5=CC=CC=C5OC)C1=O","NQOJKQUAJBSULW-UHFFFAOYSA-N",137654777,NA,"PDBC28687","774934","Present",NA,NA
+"28688","6-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propylsulfanyl]-1,3,5-triphenyl-2-sulfanylidenepyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propylsulfanyl]-1,3,5-triphenyl-2-thioxo-pyrimidin-4-one",NA,"C1CN(CCN1CCCSC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC(=CC=C6)Cl","COAUCWCVXCNCHR-UHFFFAOYSA-N",396745,NA,"PDBC28688","703455","Present",NA,NA
+"28689","6-[3-[4-(4-Aminobutylamino)butylamino]propyl]-13-[3-[(2-methoxyphenyl)methylamino]propyl]-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-((4-((4-aminobutyl)amino)butyl)amino)propyl)-7-(3-(...",NA,"COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCCNCCCCN)C2=O","YNECSBWOOYUOSA-UHFFFAOYSA-N",155811433,NA,"PDBC28689","768649","Present",NA,NA
+"28690","6-[4-(1-Cyclohexenyl)-1,3-butadiyn-1-yl]-2(2H)-pyranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-(1-cyclohexenyl)-1,3-butadiyn-1-yl]-2(2H)-pyranone",NA,"C1CCC(=CC1)C#CC#CC2=CC=CC(=O)O2","XJLKHSOVACIIDZ-UHFFFAOYSA-N",10263039,NA,"PDBC28690","726863","Present",NA,NA
+"28691","6-[4-(4-Methoxybenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-(4-Methoxybenzoyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one",NA,"COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)O4","VJORCZOIIHBWBQ-UHFFFAOYSA-N",393053,NA,"PDBC28691","694337","Present",NA,NA
+"28692","6-[4-(4-Methoxyphenyl)piperazin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-(4-Methoxyphenyl)piperazin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one",NA,"COC1=CC=C(C=C1)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CN4","SAEBQMVIEURPQU-UHFFFAOYSA-N",393055,NA,"PDBC28692","694339","Present",NA,NA
+"28693","6-[4-(Dimethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-(Dimethylamino)phenyl]-2-(4-hydroxypiperidin-1-yl)-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,"CN(C)C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C#N)N4CCC(CC4)O","YJMXCJHPFUUOHC-UHFFFAOYSA-N",60148087,NA,"PDBC28693","753600","Present",NA,NA
+"28694","6-[4-(Dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-(Dimethylamino)phenyl]-2-morpholin-4-yl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile",NA,"CN(C)C1=CC=C(C=C1)C2=NC(=C(C(=C2)C3=CC(=C(C(=C3)OC)OC)OC)C#N)N4CCOCC4","FYXQRFVJGWWYJQ-UHFFFAOYSA-N",45028178,NA,"PDBC28694","741364","Present",NA,NA
+"28695","6-[4-(Methylthio)phenyl]imidazo[2,1-b]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_001965",NA,"CSC1=CC=C(C=C1)C2=CN3C=CSC3=N2","XUPHUUXPEHAWMI-UHFFFAOYSA-N",1497314,NA,"PDBC28695","740963","Present",NA,NA
+"28696","6-[4-Aminobutyl(methyl)amino]-2,3-dihydrophthalazine-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[(4-Aminobutyl)(methyl)amino]-2,3-dihydrophthalazine-1,4-dione",NA,"CN(CCCCN)C1=CC2=C(C=C1)C(=O)NNC2=O","NVOWEQPSRQXFQE-UHFFFAOYSA-N",360281,NA,"PDBC28696","622315","Present",NA,NA
+"28697","6-[4-[(2R,3R)-3-(Hydroxymethyl)oxiranyl]-1,3-butadiynyl]-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-(2R,3R)-6-{4-[(3-hydroxymethyl)oxiran-2-yl]buta-1,3-...",NA,"C1=CC(=O)OC(=C1)C#CC#CC2C(O2)CO","MQOZGGCYMXWCPG-GHMZBOCLSA-N",11816756,NA,"PDBC28697","730868","Present",NA,NA
+"28698","6-[4-[(2S,3S)-3-(Hydroxymethyl)oxiranyl]-1,3-butadiynyl]-2H-pyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-(2S,3S)-6-{4-[(3-hydroxymethyl)oxiran-2-yl]buta-1,3-...",NA,"C1=CC(=O)OC(=C1)C#CC#CC2C(O2)CO","MQOZGGCYMXWCPG-QWRGUYRKSA-N",11241382,NA,"PDBC28698","730867","Present",NA,NA
+"28699","6-[4-[(7-Chloroquinolin-4-yl)amino]phenyl]-4-(4-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-[(7-Chloro-4-quinolyl)amino]phenyl]-4-(4-nitrophenyl)-2-oxo-1h-pyridine-3-carbonitrile",NA,"C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)[N+](=O)[O-])NC4=C5C=CC(=CC5=NC=C4)Cl","KFWBNUJLXYXMLU-UHFFFAOYSA-N",396044,NA,"PDBC28699","701371","Present",NA,NA
+"28700","6-[4-[(7-Chloroquinoline-4-yl)amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-[(7-Chloroquinoline-4-yl)amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one",NA,"COC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)C#N","JSFKXKLFFXFGSU-UHFFFAOYSA-N",396045,NA,"PDBC28700","701372","Present",NA,NA
+"28701","6-[4-[2-[2-(2-Hydroxyethylamino)ethylamino]acetyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-[2-[2-(2-Hydroxyethylamino)ethylamino]acetyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3N5CCN(CC5)C(=O)CNCCNCCO","IFJSUZRGRVFFID-UHFFFAOYSA-N",24205991,NA,"PDBC28701","737611","Present",NA,NA
+"28702","6-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]-3,4-dihydro-1H-quinoxalin-2-one",NA,"C1CN(CCN1C2=CC3=C(C=C2)NC(=O)CN3)C4=CC=CC(=C4)C(F)(F)F","YSJLCPUIDYYOJP-UHFFFAOYSA-N",393056,NA,"PDBC28702","694340","Present",NA,NA
+"28703","6-[4-[3-[2-(2-Aminoethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-[3-[2-(2-Aminoethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3N5CCN(CC5)C(=O)CCNCCNCCN","COBNUFINIGTBBR-UHFFFAOYSA-N",24205993,NA,"PDBC28703","737613","Present",NA,NA
+"28704","6-[4-[3-[2-(2-Hydroxyethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-[3-[2-(2-Hydroxyethylamino)ethylamino]propanoyl]piperazin-1-yl]-9-methoxyindeno[1,2-c]quinolin-11-one",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3N5CCN(CC5)C(=O)CCNCCNCCO","GLFCGFWFRJVPFI-UHFFFAOYSA-N",24205992,NA,"PDBC28704","737612","Present",NA,NA
+"28705","6-[4-[[7-(Trifluoromethyl)quinoline-4-yl]amino]phenyl]-3-cyano-4-(4-chlorophenyl)pyridine-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyridinecarbonitrile, 4-(4-chlorophenyl)- 6-[4-[[7-(tr...",NA,"C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)Cl)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F","KZNANIOGPVFLQB-UHFFFAOYSA-N",396051,NA,"PDBC28705","701378","Present",NA,NA
+"28706","6-[4-[[7-(Trifluoromethyl)quinoline-4-yl]amino]phenyl]-3-cyano-4-(4-methoxy-1-naphthyl)pyridine-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxynaphthalen-1-yl)-2-oxo-6-[4-[[7-(trifluoromethyl)quinolin-4-yl]amino]phenyl]-1H-pyridine-3-carbonitrile",NA,"COC1=CC=C(C2=CC=CC=C21)C3=C(C(=O)NC(=C3)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F)C#N","HUSMBRHIKDYFGB-UHFFFAOYSA-N",396054,NA,"PDBC28706","701381","Present",NA,NA
+"28707","6-[4-[[7-(Trifluoromethyl)quinoline-4-yl]amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[4-[[7-(Trifluoromethyl)quinoline-4-yl]amino]phenyl]-3-cyano-4-(4-methoxyphenyl)pyridine-2(1H)-one",NA,"COC1=CC=C(C=C1)C2=C(C(=O)NC(=C2)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F)C#N","RXRFMMVIMXXEFU-UHFFFAOYSA-N",396053,NA,"PDBC28707","701380","Present",NA,NA
+"28708","6-[5-(2,4-Dichlorophenyl)furan-2-yl]-3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[5-(2,4-Dichlorophenyl)furan-2-yl]-3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"CCC1=NN=C2N1N=C(S2)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl","ZSTBJIJPZXUHHZ-UHFFFAOYSA-N",402004,NA,"PDBC28708","715693","Present",NA,NA
+"28709","6-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-diphenylthieno[2,3-c]pyridazin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[5-(2-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-3,4-diphenylthieno[2,3-c]pyridazin-5-ol",NA,"C1=CC=C(C=C1)C2=C3C(=C(SC3=NN=C2C4=CC=CC=C4)C5=NN=C(O5)C6=CC=CC=C6Cl)O","VHEFWFFDYKUBKM-UHFFFAOYSA-N",136040172,NA,"PDBC28709","753725","Present",NA,NA
+"28710","6-[5-(2-Chlorophenyl)-2-furyl]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-6-[5-(2-chlorophenyl)furan-2-yl]-1,2,4-triazolo[3,4-b][1,3,4]thiadiazole",NA,"CC1=NN=C2N1N=C(S2)C3=CC=C(O3)C4=CC=CC=C4Cl","RUMXQYCWPDEYNC-UHFFFAOYSA-N",399720,NA,"PDBC28710","710766","Present",NA,NA
+"28711","6-[5-(3-Chloro-4-methoxy-phenyl)-2-furyl]pyridine-3-carboxamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[5-(3-chloro-4-methoxy-phenyl)-2-furyl]pyridine-3-carb...",NA,"COC1=C(C=C(C=C1)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N)Cl","VUKLJRLYFZSOTP-UHFFFAOYSA-N",155806136,NA,"PDBC28711","800284","Present",NA,NA
+"28712","6-[5-(Ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]hexyl N-[6-[6-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]hexoxycarbonylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"({6-[6-(5-ethoxycarbonylaminocarbonyl-2,4-dioxo-3,4-dihy...",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCCCCOC(=O)NCCCCCCNC(=O)OCCCCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","CUULLJHDMLXEMY-UHFFFAOYSA-N",364415,NA,"PDBC28712","630668","Present",NA,NA
+"28713","6-[5-Bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-2-methoxy-4-(trifluoromethyl)pyridine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[5-Bromo-1-(4-methylphenyl)sulfonylindol-3-yl]-2-methoxy-4-(trifluoromethyl)pyridine-3-carbonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=C2C=CC(=C3)Br)C4=NC(=C(C(=C4)C(F)(F)F)C#N)OC","KNGWNCLXUJBWKC-UHFFFAOYSA-N",403582,NA,"PDBC28713","718635","Present",NA,NA
+"28714","6-[5-[(E)-N-(Diaminomethylideneamino)-C-methylcarbonimidoyl]imidazo[2,1-b][1,3]thiazole-6-carbonyl]oxyhexyl 5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[5-[(E)-N-(Diaminomethylideneamino)-C-methylcarbonimidoyl]imidazo[2,1-b][1,3]thiazole-6-carbonyl]oxyhexyl 5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]imidazo[2,1-b][1,3]thiazole-6-carbo",NA,"CC(=NN=C(N)N)C1=C(N=C2N1C=CS2)C(=O)OCCCCCCOC(=O)C3=C(N4C=CSC4=N3)C(=NN=C(N)N)C","YSZSFCQJMRFQNE-GCFMLEDASA-N",9572253,NA,"PDBC28714","709147","Present",NA,NA
+"28715","6-[5-[(Z)-[3-Methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxo-N-phenylhexanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[5-[(Z)-[3-Methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxo-N-phenylhexanamide;hydrochloride",NA,"CC1=C(NC(=C1C(=O)CCCCC(=O)NC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC.Cl","YJYCYYCUKHKZEO-PNNXLEGYSA-N",135932478,NA,"PDBC28715","746822","Present",NA,NA
+"28716","6-[Benzyl(methyl)amino]-3-methyl-1H-pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[Benzyl(methyl)amino]-3-methyl-1H-pyrimidine-2,4-dione",NA,"CN1C(=O)C=C(NC1=O)N(C)CC2=CC=CC=C2","DVZIQRUZSZHNRF-UHFFFAOYSA-N",389518,NA,"PDBC28716","685809","Present",NA,NA
+"28717","6-[N-(2-Hydroxyethyl)anilino]-3-methyl-2H-indazole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[N-(2-Hydroxyethyl)anilino]-3-methyl-2H-indazole-4,7-dione",NA,"CC1=C2C(=O)C=C(C(=O)C2=NN1)N(CCO)C3=CC=CC=C3","KEHHDNNSUKAQBU-UHFFFAOYSA-N",362828,NA,"PDBC28717","627198","Present",NA,NA
+"28718","6-[Piperidin-1-yl-(3,4,5-trimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzodioxol-5-ol, 6-[1-piperidinyl(3,4,5-trimethoxyp...",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2O)OCO3)N4CCCCC4","AOFTVDRTEGBGAK-UHFFFAOYSA-N",339887,NA,"PDBC28718","368253","Present",NA,NA
+"28719","6-[[(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-N,N-dibenzyl-3-hydroxy-2-methyloxan-4-amine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Naphthacenedione, 8-acetyl-10-[[3-[bis(phenylmethyl...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)[N+](CC6=CC=CC=C6)(CC7=CC=CC=C7)[O-])O","YYEDQXYOGYFXSQ-HUQCEHJHSA-N",337853,NA,"PDBC28719","357703","Present",NA,NA
+"28720","6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676787///NSC676791",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O","XCOCMBMWEVIXCI-DLZBZKFPSA-N",385531,NA,"PDBC28720","676787///676791","Present",NA,NA
+"28721","6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)O)O)C)(C)C)O)O)O)OC9C(C(CO9)(CO)O)O)OC1C(C(C(CO1)O)O)O","KFMPGQMSTZEBPT-XXMPYFHQSA-N",385535,NA,"PDBC28721","676793","Present",NA,NA
+"28722","6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[5-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[5-[3,4-dihydroxy-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)OC1C(C(C(CO1)O)O)O)O)O","NXMUOYAGAXAIGQ-RWEYWQKRSA-N",385533,NA,"PDBC28722","676789","Present",NA,NA
+"28723","6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-carboxy-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[(3S,4Ar,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-carboxy-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic aci",NA,"CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C(=O)O)C","AJLARCXOASFHQQ-UNLFOZDISA-N",385537,NA,"PDBC28723","676795","Present",NA,NA
+"28724","6-[[(3S,4Ar,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676780///NSC676782",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O","XGNILSMXQYPTTN-RYOCFWSBSA-N",385526,NA,"PDBC28724","676780///676782","Present",NA,NA
+"28725","6-[[(3S,4Ar,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676776///NSC676778",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)C(=O)O)O)OC9C(C(C(CO9)O)O)O)O)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O","AUWIBYQJUPOTCJ-IEEXDSJTSA-N",385524,NA,"PDBC28725","676776///676778","Present",NA,NA
+"28726","6-[[(3S,4Ar,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[(3S,4Ar,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)O)C","IUCHKMAZAWJNBJ-FTRHVITRSA-N",385528,NA,"PDBC28726","676784","Present",NA,NA
+"28727","6-[[2,5-Dichloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[2,5-Dichloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"CCCC1=NN=C2N1N=C(S2)COC3=CC(=C(C=C3Cl)OCC4=NN5C(=NN=C5S4)CCC)Cl","SVBLFUFJRGIZGM-UHFFFAOYSA-N",402720,NA,"PDBC28727","716908","Present",NA,NA
+"28728","6-[[2-(4-Fluorophenyl)-2-bicyclo[2.2.1]heptanyl]-methylamino]-N-[(2R,3S,4R,6S)-3-hydroxy-2-methyl-6-[[(1R,3R)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(N-(2-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-yl)- N-me...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)CCCCCN(C)C6(CC7CCC6C7)C8=CC=C(C=C8)F)O","LAPCOKUPBBCOMK-WXXOYHPGSA-N",155815098,NA,"PDBC28728","788321","Present",NA,NA
+"28729","6-[[2-(Azepan-1-yl)acetyl]amino]-N-[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[2-(Azepan-1-yl)acetyl]amino]-N-[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide",NA,"CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)CN5CCCCCC5","DMDLOPKQFAZTDV-UHFFFAOYSA-N",45028436,NA,"PDBC28729","742850","Present",NA,NA
+"28730","6-[[2-(Benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-(tert-butoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[4-Methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[6-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-[[6-[[4-me",NA,"CC(C)CC(C(=O)NCCCCC(C(=O)NC(CCCCNC(=O)C(CC(C)C)NC(=O)OCC1=CC=CC=C1)C(=O)O)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)NC(=O)OCC4=CC=CC=C4","BSRMOVLYPREVOF-UHFFFAOYSA-N",16129795,NA,"PDBC28730","668447","Present",NA,NA
+"28731","6-[[2-(Benzyloxycarbonylamino)acetyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-[[6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-(tert-butoxycarbonylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[[2-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]-6-[[2-(phenylmethoxy",NA,"CC(C)(C)OC(=O)NC(CCCCNC(=O)CNC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)NC(CCCCNC(=O)CNC(=O)OCC3=CC=CC=C3)C(=O)NC(CCCCNC(=O)CNC(=O)OCC4=CC=CC=C4)C(=O)O","FZJBUONVOFPILV-UHFFFAOYSA-N",16129792,NA,"PDBC28731","668438","Present",NA,NA
+"28732","6-[[2-(Chloromethyl)phenyl]methylsulfanyl]-7H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755805",NA,"C1=CC=C(C(=C1)CSC2=NC=NC3=C2NC=N3)CCl","GHOUCJOYMGMRSU-UHFFFAOYSA-N",155813117,NA,"PDBC28732","755805","Present",NA,NA
+"28733","6-[[2-Chloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[2-Chloro-4-[(3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methoxy]phenoxy]methyl]-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole",NA,"CCCC1=NN=C2N1N=C(S2)COC3=CC(=C(C=C3)OCC4=NN5C(=NN=C5S4)CCC)Cl","VAGCDPOVHUZQAA-UHFFFAOYSA-N",402718,NA,"PDBC28733","716906","Present",NA,NA
+"28734","6-[[3-(1-Hydroxyethyl)anilino]methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[3-(1-Hydroxyethyl)anilino]methyl]-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one",NA,"CC(C1=CC(=CC=C1)NCC2=C3N(C4=CC=CC=C4O3)C(=O)C5=CC=CC=C52)O","SWSHDRUMXGQHGL-UHFFFAOYSA-N",24204704,NA,"PDBC28734","732508","Present",NA,NA
+"28735","6-[[4,5-Bis[bis(benzyloxycarbonylmethyl)amino]valeryl]amino]hexanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[4,5-Bis[bis(benzyloxycarbonylmethyl)amino]valeryl]amino]hexanoic acid",NA,"C1=CC=C(C=C1)COC(=O)CN(CC(CCC(=O)NCCCCCC(=O)O)N(CC(=O)OCC2=CC=CC=C2)CC(=O)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4","OLPSDYZAQIQFND-UHFFFAOYSA-N",387983,NA,"PDBC28735","682349","Present",NA,NA
+"28736","6-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]oxy]-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine",NA,"CN(C)C1=NC(=NC(=N1)OC2=NC(=NC(=N2)N(C)C)N(C)C)N(C)C","PTGMDWCNMDYJQH-UHFFFAOYSA-N",375814,NA,"PDBC28736","655976","Present",NA,NA
+"28737","6-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CSCC3=NC(=NC(=N3)N(C)C)N","ORPLGNLIZWMQMH-UHFFFAOYSA-N",389993,NA,"PDBC28737","686787","Present",NA,NA
+"28738","6-[[[4-(Dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carbonyl]amino]methylamino]pyridine-3-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nicotinamide, 6-[[[4-(dimethylamino)-1,4,4a,5,12,12a-hex...",NA,"CC1=C2C=CC=C(C2=C(C3=C1CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)NCNC5=NC=C(C=C5)C(=O)N)N(C)C)O)O.Cl","YMSQUKXYLYXJSX-UHFFFAOYSA-N",54712675,NA,"PDBC28738","64440","Present",NA,NA
+"28739","6-[{5-(Pyridine-4-yl)-1,3,4-oxidazol-2-yl} dithio]-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[{5-(Pyridine-4-yl)-1,3,4-oxidazol-2-yl} dithio]-9H-pu...",NA,"C1=CN=CC=C1C2=NN=C(O2)SSC3=NC=NC4=C3NC=N4","YQFKBLYOUHJPQX-UHFFFAOYSA-N",60147622,NA,"PDBC28739","751860","Present",NA,NA
+"28740","6-alpha-Fluoro-isoflupredone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6.alpha.,9-difluoroprednisolone",NA,"CC12CC(C3(C(C1CCC2(C(=O)CO)O)CC(C4=CC(=O)C=CC43C)F)F)O","ABUISBDTYAZRHY-RBKZJGKHSA-N",101859,NA,"PDBC28740","77021","Present",NA,NA
+"28741","6-aminotoyocamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-aminotoyocamycin",NA,"C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)N)C#N)N","GPEPWIICLLUDAS-UHFFFAOYSA-N",300567,NA,"PDBC28741","175630","Present",NA,NA
+"28742","6-beta-D-Glucopyranosyl-4',5-dihydroxy-7-methoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Swertisin",NA,"COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)C4C(C(C(C(O4)CO)O)O)O","ABRULANJVVJLFI-UHFFFAOYSA-N",369636,NA,"PDBC28742","641547","Present",NA,NA
+"28743","6-beta-Hydroxy-Loganin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"loganin, 6-beta-hydroxy",NA,"CC1C2C(C(C1O)O)C(=COC2OC3C(C(C(C(O3)CO)O)O)O)C(=O)OC","QDEYKGKBMCIYCT-IIBPOAPYSA-N",341846,NA,"PDBC28743","375867","Present",NA,NA
+"28744","6-epi-Calyciphylline B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-epi-Calyciphylline B",NA,"CC1C[N+]2(C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C)[O-]","PTOMOLGIAURSGE-TXXBRUBKSA-N",155816345,NA,"PDBC28744","787223","Present",NA,NA
+"28745","6-hydroxy-2-(phenylimino)benzofuran-3-(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-hydroxy-2-(phenylimino)benzofuran-3-(2H)-one",NA,"C1=CC=C(C=C1)N=C2C(=O)C3=C(O2)C=C(C=C3)O","LSCKEBBFWSLSEX-UHFFFAOYSA-N",380756,NA,"PDBC28745","666463","Present",NA,NA
+"28746","6-imino-3-methoxy 4-azaisoindole[2,1-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-imino-3-methoxy 4-azaisoindole[2,1-a]quinoxaline",NA,"COC1=CC2=C(C=C1)N3C=C4C(=C3C(=N2)N)C=CC=N4","XOGCZUMKRVUFDH-UHFFFAOYSA-N",155815972,NA,"PDBC28746","754596","Present",NA,NA
+"28747","6-p-Tolyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-p-Tolyl-5H-[1,3]dioxolo[4,5-g]quinolin-8-one",NA,"CC1=CC=C(C=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4","OBBCMZTVWBVNPS-UHFFFAOYSA-N",374534,NA,"PDBC28747","652285","Present",NA,NA
+"28748","6-{3-[2-(2-Amino-ethylamino]-ethylamino]-1propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{3-[2-(2-Amino-ethylamino]-ethylamino]-1propyl}-5,6-di...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCNCCN)OC.Cl","PUVQWEHIPHIZTQ-UHFFFAOYSA-N",45027813,NA,"PDBC28748","724996","Present",NA,NA
+"28749","6-{3-[2-(3-Amino-ethylamino)-propylamino]-1-propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c)isoquinolone Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{3-[2-(3-Amino-ethylamino)-propylamino]-1-propyl}-5,6-...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCN)OC.Cl","IRKKUNNMAVRLFR-UHFFFAOYSA-N",45027809,NA,"PDBC28749","724264","Present",NA,NA
+"28750","6-{3-[2-(3-Amino-propylamino)-ethylamino]-1-propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{3-[2-(3-Amino-propylamino)-ethylamino]-1-propyl}-5,6-...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCNCCCN)OC.Cl","BLYRLHUHKWDKKE-UHFFFAOYSA-N",45027808,NA,"PDBC28750","724059","Present",NA,NA
+"28751","6-{3-[2-(3-Amino-propylamino)-propylamino]-1-propyl}-5,3-dimethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{3-[2-(3-amino-propylamino)-propylamino]-1-propyl}-5,6...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCCN)OC.Cl","SUNKMHBHQDNDCX-UHFFFAOYSA-N",45027810,NA,"PDBC28751","724265","Present",NA,NA
+"28752","6-{3-[3,6-Dihydro-2,3-dimethoxy-8,9-methylenedioxy-5,11-di oxo-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-{3-[3,3-(3-Amino-propylamino)-(propylamino)-propylamin...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCCNCCCN)OC.Cl","RCSURWDPQMTCJT-UHFFFAOYSA-N",45027814,NA,"PDBC28752","724997","Present",NA,NA
+"28753","6-{[3-(Trifluoromethyl)phenyl]sulfonyl}-2,4-quinazolinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Quinazolinediamine, 6-[[3-(trifluoromethyl)phenyl]su...",NA,"C1=CC(=CC(=C1)S(=O)(=O)C2=CC3=C(C=C2)N=C(N=C3N)N)C(F)(F)F","LMXPIDHKKSVTCS-UHFFFAOYSA-N",328138,NA,"PDBC28753","305784","Present",NA,NA
+"28754","6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 1,2,4,7,8,10-hexamethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 1,2,4,7,8,10-hexamethyl-",NA,"CC1=CC(=C2C(=C1C)CN3CN2CC4=C(C(=CC(=C43)C)C)C)C","RVGCVLJCTZLHLY-UHFFFAOYSA-N",361902,NA,"PDBC28754","625314","Present",NA,NA
+"28755","6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,4,8,10-tetramethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,4,8,10-tetramethyl-",NA,"CC1=CC(=C2C(=C1)CN3CN2CC4=CC(=CC(=C43)C)C)C","AZSVNAWGILSLCD-UHFFFAOYSA-N",361903,NA,"PDBC28755","625315","Present",NA,NA
+"28756","6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethoxy-4,10-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine, 2,8-dimethoxy-4,10-dimethyl-",NA,"CC1=CC(=CC2=C1N3CC4=C(C(=CC(=C4)OC)C)N(C2)C3)OC","JLHJRMAJUMSEBE-UHFFFAOYSA-N",361904,NA,"PDBC28756","625316","Present",NA,NA
+"28757","6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine-3,9-dimethanol, 2,8-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H,12H-5,11-Methanodibenzo[b,f][1,5]diazocine-3,9-dimethanol, 2,8-dimethyl-",NA,"CC1=CC2=C(C=C1CO)N3CC4=C(C=C(C(=C4)C)CO)N(C2)C3","MDFGJFPJYPULNN-UHFFFAOYSA-N",361434,NA,"PDBC28757","624458","Present",NA,NA
+"28758","6H,7H-Chromeno[4,3-b]chromen-6a(12aH)-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H,7H-Chromeno[4,3-b]chromen-6a(12aH)-ol",NA,"C1C2=CC=CC=C2OC3C1(COC4=CC=CC=C34)O","BCPGBIRNVIUGFX-UHFFFAOYSA-N",387598,NA,"PDBC28758","681607","Present",NA,NA
+"28759","6H,7H-Chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H,7H-Chromeno[4,3-b]chromene",NA,"C1C2=C(C3=CC=CC=C3OC2)OC4=CC=CC=C41","IGZITUXNZAHIDW-UHFFFAOYSA-N",387603,NA,"PDBC28759","681612","Present",NA,NA
+"28760","6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6,7-dimethyl-8-(3,4,5-trimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6,...",NA,"CC1C(C2=CC3=C(C=C2OC1(C)O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","QSGVFQHJEFDOAR-UHFFFAOYSA-N",146610,NA,"PDBC28760","600023","Present",NA,NA
+"28761","6H-1,3-Dioxolo(4,5-g)(1)benzopyran-6-ol, 7,8-dihydro-6-methyl-8-(3,4,5-trimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-ol, 7,8-dihydro- 6-...",NA,"CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)O","FNMCXUGVHHIANS-UHFFFAOYSA-N",146631,NA,"PDBC28761","381578","Present",NA,NA
+"28762","6H-2,5a-Methano-1-benzoxepin-5-ol, 2-bromo-2,5,9,9a-tetrahydro-5,8,10,10-tetramethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodeca-3,9-dien-11-ol",NA,"CC1=CCC23C(C1)OC(C2(C)C)(C=CC3(C)O)Br","WXHGXHLQFJCZPI-UHFFFAOYSA-N",364207,NA,"PDBC28762","629925","Present",NA,NA
+"28763","6H-2,5a-Methano-1-benzoxepin-7(8H)-one, 2,8-dibromo-2,5,9,9a-tetrahydro-5-hydroxy-5,8,10,10-tetramethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Dibromo-11-hydroxy-4,11,12,12-tetramethyl-7-oxatricyclo[6.3.1.01,6]dodec-9-en-3-one",NA,"CC1(C23CC(=O)C(CC2OC1(C=CC3(C)O)Br)(C)Br)C","KTTOHTLRYWHUSM-UHFFFAOYSA-N",364366,NA,"PDBC28763","630425","Present",NA,NA
+"28764","6H-3a,6-Epoxy-1H-imidazo(1,2-a)(1,4)benzodiazepine-1,2(3H)-dione, 8-chloro-3-methyl-6-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6h-3a,6-epoxy-1h-imidazo[1,2-a][1,4]benzodiazepine-1,2(3...",NA,"CN1C(=O)C(=O)N2C13C=NC(O3)(C4=C2C=CC(=C4)Cl)C5=CC=CC=C5","ARVGAFIPEMEJTK-UHFFFAOYSA-N",326084,NA,"PDBC28764","295883","Present",NA,NA
+"28765","6H-Benzofuro(3,2-c)(1)benzopyran-8-ol, 6a,11a-dihydro-3-methoxy-9-(phenylmethoxy)-, cis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzofuran[3,2-c][1]benzopyran, cis-, 8-hydroxy-3- metho...",NA,"COC1=CC2=C(C=C1)C3C(CO2)C4=CC(=C(C=C4O3)OCC5=CC=CC=C5)O","PDTQQLCWYVFMQN-WZONZLPQSA-N",373518,NA,"PDBC28765","649971","Present",NA,NA
+"28766","6H-Chromeno[4,3-b]chromen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Chromeno[4,3-b]chromen-7-one",NA,"C1C2=C(C3=CC=CC=C3O1)OC4=CC=CC=C4C2=O","CGVGQDPFDJESPH-UHFFFAOYSA-N",387608,NA,"PDBC28766","681617","Present",NA,NA
+"28767","6H-DIBENZO(b,d)PYRAN-6-ONE, 2-ACETAMIDO-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t b666 hovj dmv1",NA,"CC(=O)NC1=CC2=C(C=C1)OC(=O)C3=CC=CC=C32","RCYCXZHAYRTYPO-UHFFFAOYSA-N",21169,NA,"PDBC28767","67721","Present",NA,NA
+"28768","6H-Purin-6-one, 2-((3-chloro-4-fluorophenyl)amino)-1,9-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Purin-6-one, 2-((3-chloro-4-fluorophenyl)amino)-1,9-dihydro-",NA,"C1=CC(=C(C=C1NC2=NC3=C(C(=O)N2)NC=N3)Cl)F","QCVDQVZWWDKIKH-UHFFFAOYSA-N",135415736,NA,"PDBC28768","685818","Present",NA,NA
+"28769","6H-Purin-6-one, 9-hexopyranosyl-1,7,8,9-tetrahydro-8-imino-1-methyl-2-(methylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Amino-1-methyl-2-methylsulfanyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]purin-6-one",NA,"CN1C(=O)C2=C(N=C1SC)N(C(=N2)N)C3C(C(C(C(O3)CO)O)O)O","HEHVKLAYARFKRH-UHFFFAOYSA-N",363662,NA,"PDBC28769","628728","Present",NA,NA
+"28770","6H-Purin-6-one, 9-hexopyranosyl-1,7,8,9-tetrahydro-8-imino-2-methoxy-1-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Imino-2-methoxy-1-methyl-9-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-7H-purin-6-one",NA,"CN1C(=O)C2=C(N=C1OC)N(C(=N2)N)C3C(C(C(C(O3)CO)O)O)O","MGYXHYCKLVSISM-UHFFFAOYSA-N",363658,NA,"PDBC28770","628724","Present",NA,NA
+"28771","6H-Pyrazolo[3,5-kl]acridine-5-carboxamide, N,N'-[methyliminobis(3,1-propanediyl)] bis[2-[2-(dimethylamino)ethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrazolo[3,4,5-kl]acridine-5-carboxamide, N,N'-[methy...",NA,"CN(C)CCN1C2=C3C(=C(C=C2)C(=O)NCCCN(C)CCCNC(=O)C4=C5C6=C(C=C4)N(N=C6C7=CC=CC=C7N5)CCN(C)C)NC8=CC=CC=C8C3=N1","CSPZQMQCDUYWIE-UHFFFAOYSA-N",135426709,NA,"PDBC28771","710551","Present",NA,NA
+"28772","6H-Pyridazino[4, N-[3-(diethylamino)propyl]-9-methoxy-5-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyridazino[4,5-b]carbazol-1-amine, N-[3-(diethylamino...",NA,"CCN(CC)CCCNC1=C2C=C3C4=C(C=CC(=C4)OC)N=C3C(=C2C=NN1)C","IEZOBFSVGSKQLY-UHFFFAOYSA-N",396092,NA,"PDBC28772","701616","Present",NA,NA
+"28773","6H-Pyrido[2,3,4-kl]acridin-6-one, 4-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[2,3,4-kl]acridin-6-one, 4-methoxy-",NA,"COC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","FQZGXGCWOGPRLT-UHFFFAOYSA-N",391209,NA,"PDBC28773","690042","Present",NA,NA
+"28774","6H-Pyrido[4, 5,11-dimethyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ellipticine, 6-(3-aminopropyl)-, dihydrochloride",NA,"CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCN)C.Cl","MTHGSLOYRDMTHQ-UHFFFAOYSA-N",54598405,NA,"PDBC28774","176328","Present",NA,NA
+"28775","6H-Pyrido[4, 5,11-dimethyl-6-(2-propenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-6-(2-propenyl)-",NA,"CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CC=C)C","AULNNLNGJDKMOM-UHFFFAOYSA-N",289172,NA,"PDBC28775","150834","Present",NA,NA
+"28776","6H-Pyrido[4, 5,11-dimethyl-6-(oxiranylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazole, 5,11-dimethyl-6-(oxiranylmeth...",NA,"CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CC5CO5)C","DNUNVFXDBUOVBS-UHFFFAOYSA-N",290108,NA,"PDBC28776","152731","Present",NA,NA
+"28777","6H-Pyrido[4, 9-hydroxy-5,6-dimethyl-N-[2-(dimethylamino)ethyl]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazole-1-carboxamide, 9-hydroxy- 5,6-...",NA,"CC1=C2C=CN=C(C2=CC3=C1N(C4=C3C=C(C=C4)O)C)C(=O)NCCN(C)C.Cl","OJZJMRDORKFMOQ-UHFFFAOYSA-N",378011,NA,"PDBC28777","659687","Present",NA,NA
+"28778","6H-Pyrido[4, 9-methoxy-5,11-dimethyl-,dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ellipticine, 6-(3-aminopropyl)-9-methoxy-, dihydrochloride",NA,"CC1=C2C=CN=CC2=C(C3=C1N(C4=C3C=C(C=C4)OC)CCCN)C.Cl","VFENHZVXEDVOAK-UHFFFAOYSA-N",54610484,NA,"PDBC28778","176327","Present",NA,NA
+"28779","6H-Pyrido[4,3-b]carbazole-1-carboxamide, 5,11-dimethyl-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazole-1-carboxamide, 5,11-dimethyl-,...",NA,"CC1=C2C=CN=C(C2=C(C3=C1NC4=CC=CC=C43)C)C(=O)N.Cl","KYNQVALQBVIVGA-UHFFFAOYSA-N",5351320,NA,"PDBC28779","335142","Present",NA,NA
+"28780","6H-Pyrido[4,3-b]carbazolium, 2-[2-(diethylamino)ethyl]- ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazolium, 2-[2-(diethylamino)ethyl]- ...",NA,NA,NA,NA,NA,"PDBC28780","620257","Present",NA,NA
+"28781","6H-Pyrido[4,3-b]carbazolium, 9-hydroxy-2,5,11-trimethyl-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Pyrido[4,3-b]carbazolium, 9-hydroxy-2,5,11-trimethyl-...",NA,NA,NA,NA,NA,"PDBC28781","620256","Present",NA,NA
+"28782","6H-[1]Benzopyrano[3,7,9(8H,12H)-trione, 11-amino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-[1]Benzopyrano[3,4-c]azocine-6,7,9(8H,12H)-trione, 11...",NA,"C1C(=CC(=O)NC(=O)C2=C1C3=CC=CC=C3OC2=O)N","MECZVRVAJCTKEB-VOTSOKGWSA-N",5469306,NA,"PDBC28782","685506","Present",NA,NA
+"28783","6H-[1]Benzopyrano[4,3-b]quinolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-362/14638077",NA,"C1=CC=C2C(=C1)C=C3C(=N2)C4=CC=CC=C4OC3=O","BYLOQNYQAMIHJQ-UHFFFAOYSA-N",387142,NA,"PDBC28783","680581","Present",NA,NA
+"28784","6X-0262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6X-0262",NA,"CN(CC(=O)O)C1=NC=C2COC3=CC=CC=C3C2=N1","ZWNVIIHQAOVAEI-UHFFFAOYSA-N",390575,NA,"PDBC28784","688098","Present",NA,NA
+"28785","6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-amine",NA,"C1C2COC3=C(C2OC4=CC=CC=C41)C=C(C=C3)N","RWOCPDXDTQLDRF-UHFFFAOYSA-N",387593,NA,"PDBC28785","681602","Present",NA,NA
+"28786","6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromene",NA,"C1C2COC3=CC=CC=C3C2OC4=CC=CC=C41","KWFJMBRKQILHMO-UHFFFAOYSA-N",387585,NA,"PDBC28786","681594","Present",NA,NA
+"28787","6a,2-c]Chromen-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6a,11a-dihydro-3-methoxy-6H-benzofuro[3,2-c]chromen-8-ol",NA,"COC1=CC2=C(C=C1)C3C(CO2)C4=C(O3)C=CC(=C4)O","JEYBMRKJDYQSII-UHFFFAOYSA-N",45028038,NA,"PDBC28787","740817","Present",NA,NA
+"28788","6a-(Tetrahydro-2H-pyran-2-yloxy)-6,6a,10b,10c-tetrahydrobenzo[3,4]cyclobuta[1,2-a]biphenylen-4b(5H)-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(Oxan-2-yloxy)pentacyclo[10.6.0.02,9.03,8.013,18]octadeca-3,5,7,13,15,17-hexaen-9-ol",NA,"C1CCOC(C1)OC23CCC4(C(C2C5=CC=CC=C35)C6=CC=CC=C64)O","GTAUFWQVNOOSHQ-UHFFFAOYSA-N",375498,NA,"PDBC28788","655280","Present",NA,NA
+"28789","6a-Amino-2,5-diphenylfuro[2,3-b]furan-3,3a,4(6aH)-tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6a-Amino-2,5-diphenylfuro[2,3-b]furan-3,3a,4(6aH)-tricarbonitrile",NA,"C1=CC=C(C=C1)C2=C(C3(C(=C(OC3(O2)N)C4=CC=CC=C4)C#N)C#N)C#N","NNTDJEMXJBHJCG-UHFFFAOYSA-N",363948,NA,"PDBC28789","629482","Present",NA,NA
+"28790","6a-Cyano-4-(2,2-dimethylhydrazino)-3-imino-6-methyl-1-oxohexahydrocyclopenta[c]pyrrole-3a(1H)-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3a-cyano-6-(2,2-dimethylhydrazinyl)-4-methyl-3-oxo-5,6-dihydro-4H-cyclopenta[c]pyrrole-6a-carboxamide",NA,"CC1CC(C2(C1(C(=O)N=C2N)C#N)C(=O)N)NN(C)C","JFVCYCCNUKQCGQ-UHFFFAOYSA-N",387776,NA,"PDBC28790","681849","Present",NA,NA
+"28791","6a-Hydroxysalvinolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6a-hydroxysalvinolone",NA,"CC(C)C1=C(C(=C2C(=C1)CC(=C3C2(CCCC3(C)C)C)O)O)O","BFXSCDFJDLQVRW-HXUWFJFHSA-N",403771,NA,"PDBC28791","719244","Present",NA,NA
+"28792","6a-Isobutyl-6b-methyloctahydro-5-azacyclobuta[cd]inden-6(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-Methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one",NA,"CC(C)CC12CC3C1(C(CC3)CNC2=O)C","CVXGDFQPURMPGD-UHFFFAOYSA-N",361484,NA,"PDBC28792","624521","Present",NA,NA
+"28793","6a-[(Z)-2-Ethoxyethenyl]-2,2-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[d][1,3]oxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6a-[(Z)-2-Ethoxyethenyl]-2,2-diphenyl-3a,4,5,6-tetrahydro-3H-cyclopenta[d][1,3]oxazole",NA,"CCOC=CC12CCCC1NC(O2)(C3=CC=CC=C3)C4=CC=CC=C4","OBIWHZGRBCATLQ-MSUUIHNZSA-N",5386992,NA,"PDBC28793","619176","Present",NA,NA
+"28794","6alpha-Methyl-21-desoxycortisol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"progesterone, 11.beta.,17-dihydroxy-6.alpha.-methyl-",NA,"CC1CC2C3CCC(C3(CC(C2C4(C1=CC(=O)CC4)C)O)C)(C(=O)C)O","VSGTWMOZGFNRPM-RSWUNGFYSA-N",243748,NA,"PDBC28794","53892","Present",NA,NA
+"28795","6alpha-Methyl-9alpha-fluoroprednisolone 21-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prednisolone, 9-fluoro-6.alpha.-methyl-, acetate",NA,"CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=O)COC(=O)C)O","KYVZRGYRHWSJFB-OOACPSMNSA-N",247935,NA,"PDBC28795","63549","Present",NA,NA
+"28796","6alpha-Senecioyloxychaparrinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHAPARRINONE, 6A-SENECIOYLOXY",NA,"CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3OC(=O)C=C(C)C)C(=CC(=O)C5O)C)C)O","JLEOCIUEZOZFST-UHFFFAOYSA-N",431194,NA,"PDBC28796","290494","Present",NA,NA
+"28797","6b,11b-Dihydroxy-11b,12-dihydrobenzo[g]indeno[1,2-b]indol-7(6bH)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6b,11b-Dihydroxy-11b,12-dihydrobenzo[g]indeno[1,2-b]indol-7(6bH)-one",NA,"C1=CC=C2C(=C1)C=CC3=C2NC4(C3(C(=O)C5=CC=CC=C54)O)O","JCLBXQNHIREYHX-UHFFFAOYSA-N",368009,NA,"PDBC28797","638238","Present",NA,NA
+"28798","6h-purine-6-thione, 1,7-dihydro-, mercury complex (9ci)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6h-purine-6-thione, 1,7-dihydro-, mercury complex (9ci)",NA,NA,NA,NA,NA,"PDBC28798","68294","Present",NA,NA
+"28799","6h-purine-6-thione, 1,9-dihydro-, gold complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6h-purine-6-thione, 1,9-dihydro-, gold complex",NA,NA,NA,NA,NA,"PDBC28799","682441","Present",NA,NA
+"28800","6h-purine-6-thione, 2-amino-1,9-dihydro-, gold complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6h-purine-6-thione, 2-amino-1,9-dihydro-, gold complex",NA,NA,NA,NA,NA,"PDBC28800","682442","Present",NA,NA
+"28801","6lambda6,13lambda6,16lambda6-Trithia-5,7,12,14,15,17-hexazatetracyclo[6.6.3.04,15.011,17]heptadecane 6,6,13,13,16,16-hexaoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6lambda6,13lambda6,16lambda6-Trithia-5,7,12,14,15,17-hexazatetracyclo[6.6.3.04,15.011,17]heptadecane 6,6,13,13,16,16-hexaoxide",NA,"C1CC2NS(=O)(=O)NC3CCC4N3S(=O)(=O)N2C1NS(=O)(=O)N4","XBPOYRLUVFMFID-UHFFFAOYSA-N",331208,NA,"PDBC28801","321596","Present",NA,NA
+"28802","7'-(Benzenesulfinyl)spiro[1,3-dioxolane-2,3'-bicyclo[4.2.0]octane]-6'-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8'-(Benzenesulfinyl)spiro[1,3-dioxolane-2,4'-bicyclo[4.2.0]octane]-1'-ol",NA,"C1CC2(C(CC2S(=O)C3=CC=CC=C3)CC14OCCO4)O","LFDNYAPGGVCAIS-UHFFFAOYSA-N",394596,NA,"PDBC28802","698176","Present",NA,NA
+"28803","7'-Bromodemethoxy geldanoxazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC255105",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC3=NC4=C(C=C(C=C4)Br)OC3=C(C1)C2=O)C)OC)OC(=O)N)C)C)O)OC","GRRRVBFXHGBGOJ-DOMYYLLWSA-N",135468235,NA,"PDBC28803","255105","Present",NA,NA
+"28804","7'-Hydroxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7'-Hydroxy-3-methylspiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,"CN1C(=O)C2=CC=CC=C2OC13C=CC4=C(O3)C=C(C=C4)O","VBFHHNWLBLHUGG-UHFFFAOYSA-N",392256,NA,"PDBC28804","692397","Present",NA,NA
+"28805","7'-Methoxy-4'a-methylspiro[1,3-dioxolane-2,1'-2,3,4,9,10,10a-hexahydrophenanthrene]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7'-Methoxy-4'a-methylspiro[1,3-dioxolane-2,1'-2,3,4,9,10,10a-hexahydrophenanthrene]",NA,"CC12CCCC3(C1CCC4=C2C=CC(=C4)OC)OCCO3","ZSXFJUANXDEFNK-UHFFFAOYSA-N",372317,NA,"PDBC28805","647376","Present",NA,NA
+"28806","7'-Methoxy-4'a-methylspiro[1,3-dithiolane-2,2'-3,4,9,10-tetrahydrophenanthrene]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7'-Methoxy-4'a-methylspiro[1,3-dithiolane-2,2'-3,4,9,10-tetrahydrophenanthrene]",NA,"CC12CCC3(C=C1CCC4=C2C=CC(=C4)OC)SCCS3","ZVALSGVHMXNGPY-UHFFFAOYSA-N",372315,NA,"PDBC28806","647374","Present",NA,NA
+"28807","7'a-Prop-2-enylspiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindene]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7'a-Prop-2-enylspiro[1,3-dioxolane-2,6'-1,4,5,7-tetrahydroindene]-2'-one",NA,"C=CCC12CC(=O)C=C1CCC3(C2)OCCO3","TYIPEOCYKAXMMG-UHFFFAOYSA-N",359514,NA,"PDBC28807","620497","Present",NA,NA
+"28808","7,10,13-Tris((4-methylphenyl)sulfonyl)-1,4-dithia-7,10,13-triazacyclopentadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,10,13-Tris((4-methylphenyl)sulfonyl)-1,4-dithia-7,10,13-triazacyclopentadecane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCSCCSCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C","LRXXANGQUDCPDG-UHFFFAOYSA-N",373832,NA,"PDBC28808","650795","Present",NA,NA
+"28809","7,10-Dihydroxy-12-(6-morpholin-4-ylpyridin-3-yl)-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,10-dihydroxy-12-(6-morpholinopyridin-3-yl)-12,13-dihyd...",NA,"C1COCCN1C2=NC=C(C=C2)N3CC4=CC=CC=C4OC5=C3C(=O)C6=C(C=CC(=C6C5=O)O)O","SOIAVARDRLXKJF-UHFFFAOYSA-N",155806940,NA,"PDBC28809","791346","Present",NA,NA
+"28810","7,10-Dihydroxy-12-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,10-dihydroxy-12-(6-(4-methylpiperazin-1-yl)pyridin-3-y...",NA,"CN1CCN(CC1)C2=NC=C(C=C2)N3CC4=CC=CC=C4OC5=C3C(=O)C6=C(C=CC(=C6C5=O)O)O","QTFVWAWZVNFZMJ-UHFFFAOYSA-N",155815392,NA,"PDBC28810","791349","Present",NA,NA
+"28811","7,10-Dihydroxy-12-[6-[2-hydroxyethyl(methyl)amino]pyridin-3-yl]-13H-naphtho[3,2-b][1,4]benzoxazepine-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,10-dihydroxy-12-(6-((2-hydroxyethyl)(methyl)amino)pyri...",NA,"CN(CCO)C1=NC=C(C=C1)N2CC3=CC=CC=C3OC4=C2C(=O)C5=C(C=CC(=C5C4=O)O)O","HXVVXKNTBSIBCM-UHFFFAOYSA-N",155808585,NA,"PDBC28811","791347","Present",NA,NA
+"28812","7,11-Bis(2-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(2-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,"C1C(C2(C(CC1=O)C3=CC=CC=C3Cl)C(=O)NC(=O)NC2=O)C4=CC=CC=C4Cl","IJIHYAYVEBCUAM-UHFFFAOYSA-N",405089,NA,"PDBC28812","721970","Present",NA,NA
+"28813","7,11-Bis(2-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(2-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,"C1C(C2(C(CC1=O)C3=CC=CC=C3Cl)C(=O)NC(=S)NC2=O)C4=CC=CC=C4Cl","FEPIIKKLJAZGOK-UHFFFAOYSA-N",5472843,NA,"PDBC28813","721971","Present",NA,NA
+"28814","7,11-Bis(2-methoxyphenyl)-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(2-methoxyphenyl)-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,"COC1=CC=CC=C1C2CC(=O)CC(C23C(=O)NC(=S)NC3=O)C4=CC=CC=C4OC","POMVPHZAPHHHIS-UHFFFAOYSA-N",3005412,NA,"PDBC28814","698290","Present",NA,NA
+"28815","7,11-Bis(2-methylphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(2-methylphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,"CC1=CC=CC=C1C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=CC=C4C","LIOTUXHAZLUHQQ-UHFFFAOYSA-N",394685,NA,"PDBC28815","698288","Present",NA,NA
+"28816","7,11-Bis(2-methylphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(2-methylphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,"CC1=CC=CC=C1C2CC(=O)CC(C23C(=O)NC(=S)NC3=O)C4=CC=CC=C4C","PYARIKBZBFEXES-UHFFFAOYSA-N",5472401,NA,"PDBC28816","718390","Present",NA,NA
+"28817","7,11-Bis(3-hydroxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(3-hydroxyphenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,"C1C(C2(C(CC1=O)C3=CC(=CC=C3)O)C(=O)NC(=S)NC2=O)C4=CC(=CC=C4)O","DXCMBNIGJHDBHJ-UHFFFAOYSA-N",5472845,NA,"PDBC28817","721975","Present",NA,NA
+"28818","7,11-Bis(3-nitrophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(3-nitrophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,"C1C(C2(C(CC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC(=O)NC2=O)C4=CC(=CC=C4)[N+](=O)[O-]","PVYAONFERXGVAO-UHFFFAOYSA-N",405091,NA,"PDBC28818","721972","Present",NA,NA
+"28819","7,11-Bis(3-nitrophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(3-nitrophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,"C1C(C2(C(CC1=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC(=S)NC2=O)C4=CC(=CC=C4)[N+](=O)[O-]","ORAYFHLNUXYVFL-UHFFFAOYSA-N",5472844,NA,"PDBC28819","721973","Present",NA,NA
+"28820","7,11-Bis(4-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(4-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,"C1C(C2(C(CC1=O)C3=CC=C(C=C3)Cl)C(=O)NC(=O)NC2=O)C4=CC=C(C=C4)Cl","DWHYSHPLGNQIKP-UHFFFAOYSA-N",394683,NA,"PDBC28820","698286","Present",NA,NA
+"28821","7,11-Bis(4-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(4-chlorophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,"C1C(C2(C(CC1=O)C3=CC=C(C=C3)Cl)C(=O)NC(=S)NC2=O)C4=CC=C(C=C4)Cl","XQXNKCUGTQWTRM-UHFFFAOYSA-N",5472402,NA,"PDBC28821","718392","Present",NA,NA
+"28822","7,11-Bis(4-methoxyphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(4-methoxyphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,"COC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)OC","PEUKXDMLRFLUFJ-UHFFFAOYSA-N",394680,NA,"PDBC28822","698283","Present",NA,NA
+"28823","7,11-Bis(4-methoxyphenyl)-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(4-methoxyphenyl)-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,"COC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)OC","OANOGOKZZAEWTE-UHFFFAOYSA-N",3005411,NA,"PDBC28823","698289","Present",NA,NA
+"28824","7,11-Bis(4-methylphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(4-methylphenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,"CC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=O)NC3=O)C4=CC=C(C=C4)C","RBIQWIHZDUHBLC-UHFFFAOYSA-N",394682,NA,"PDBC28824","698285","Present",NA,NA
+"28825","7,11-Bis(4-nitrophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(4-nitrophenyl)-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,"C1C(C2(C(CC1=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC(=S)NC2=O)C4=CC=C(C=C4)[N+](=O)[O-]","ZIJLUYIGIUHGDD-UHFFFAOYSA-N",5472846,NA,"PDBC28825","721976","Present",NA,NA
+"28826","7,11-Bis(phenylmethoxy)-3,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),4,6,8,10,12-hexaene;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(phenylmethoxy)-3,9-diaza-1-azoniatricyclo[8.4.0.03,8]tetradeca-1(14),4,6,8,10,12-hexaene;iodide",NA,"C1N2C=CC=C(C2=NC3=C(C=CC=[N+]31)OCC4=CC=CC=C4)OCC5=CC=CC=C5.[I-]","PDPYNYNGKFLMKP-UHFFFAOYSA-M",356739,NA,"PDBC28826","613690","Present",NA,NA
+"28827","7,11-Bis(sulfanylidene)-4,14-bis(3,3,3-triphenylpropyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,13-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis(sulfanylidene)-4,14-bis(3,3,3-triphenylpropyl)-2,4,6,12,14-pentazatricyclo[8.4.0.03,8]tetradeca-1,3(8),9-triene-5,13-dione",NA,"C1=CC=C(C=C1)C(CCN2C3=C(C=C4C(=S)NC(=O)N(C4=N3)CCC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C(=S)NC2=O)(C8=CC=CC=C8)C9=CC=CC=C9","JKLHFTRQNITSJV-UHFFFAOYSA-N",5127714,NA,"PDBC28827","700542","Present",NA,NA
+"28828","7,11-Bis[4-(dimethylamino)phenyl]-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Bis[4-(dimethylamino)phenyl]-3-sulfanylidene-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,"CN(C)C1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)N(C)C","JYTKQJHQBQQQLJ-UHFFFAOYSA-N",5472403,NA,"PDBC28828","718393","Present",NA,NA
+"28829","7,11-Di(2-furyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Di(2-furyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone",NA,"C1C(C2(C(CC1=O)C3=CC=CO3)C(=O)NC(=O)NC2=O)C4=CC=CO4","LTUSPZGBSKQRAC-UHFFFAOYSA-N",387530,NA,"PDBC28829","681440","Present",NA,NA
+"28830","7,11-Diphenyl-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,11-Diphenyl-3-thioxo-2,4-diazaspiro[5.5]undecane-1,5,9-trione",NA,"C1C(C2(C(CC1=O)C3=CC=CC=C3)C(=O)NC(=S)NC2=O)C4=CC=CC=C4","FXBREMWELLLXKZ-UHFFFAOYSA-N",3005410,NA,"PDBC28830","698284","Present",NA,NA
+"28831","7,12-(Iminomethano)-7H-benzo[4',5']cyclohepta[1',2':5,6]benzo[1,2-d]-1,3-dioxole-7-carbonitrile, 14-benzoyl-6,12-dihydro-13-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"20-Benzoyl-19-methoxy-4,6-dioxa-20-azapentacyclo[10.6.2.02,10.03,7.013,18]icosa-2(10),3(7),8,13,15,17-hexaene-12-carbonitrile",NA,"COC1C2C3=CC=CC=C3C(N1C(=O)C4=CC=CC=C4)(CC5=C2C6=C(C=C5)OCO6)C#N","JYWSNCCKKCAJKK-UHFFFAOYSA-N",363303,NA,"PDBC28831","628122","Present",NA,NA
+"28832","7,12-Dihydro-13H-benzo[g]indeno[1,2-c]cinnolin-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,12-Dihydro-13H-benzo[g]indeno[1,2-c]cinnolin-13-one",NA,"C1C2=CC=CC=C2CC3=C1C4=C(C5=CC=CC=C5C4=O)N=N3","UMKPYBCKYYEFNO-UHFFFAOYSA-N",379342,NA,"PDBC28832","663888","Present",NA,NA
+"28833","7,12-Dihydro-5H-indolo[3,2-d][1]benzazepine-6-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,12-Dihydro-5H-indolo[3,2-d][1]benzazepine-6-thione",NA,"C1C2=C(C3=CC=CC=C3NC1=S)NC4=CC=CC=C24","SYJYRVGOOBZSGE-UHFFFAOYSA-N",3005105,NA,"PDBC28833","672231","Present",NA,NA
+"28834","7,12-Dihydro-5H-pyrido[2',3':3,4]pyrazolo[1,2-b]phthalazin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,10,12-Triazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,11(16),12,14-hexaen-17-one",NA,"C1C2=CC=CC=C2CN3N1C4=C(C3=O)C=CC=N4","QBLRZVRJSJMVQN-UHFFFAOYSA-N",384990,NA,"PDBC28834","675817","Present",NA,NA
+"28835","7,12-Dihydro-6H-pyrido[1,2-a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,13-Diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4,6,8,14,16,18-octaene",NA,"C1CN2C3=CC=CC=C3C=C2C4=C1C5=CC=CC=C5N4","QXRZHESFCPDBIE-UHFFFAOYSA-N",378610,NA,"PDBC28835","661250","Present",NA,NA
+"28836","7,12-Dihydropyrido[2'',3'':4',5']pyrrolo[2',3':5,6]pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,12-Dihydropyrido[2'',3'':4',5']pyrrolo[2',3':5,6]pyrido[3,4-b]indole",NA,"C1=CC=C2C(=C1)C3=C4C(=NC=C3N2)C5=C(N4)C=CC=N5","YDEIVWYETHMCHS-UHFFFAOYSA-N",364147,NA,"PDBC28836","629817","Present",NA,NA
+"28837","7,12-Epidioxybenz[a]anthracene, 7,12-dihydro-7-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,12-Epidioxybenz[a]anthracene, 7,12-dihydro-7-methyl-",NA,"CC12C3=C(C(C4=CC=CC=C41)OO2)C5=CC=CC=C5C=C3","BKPSIVHKYKDHJO-UHFFFAOYSA-N",362095,NA,"PDBC28837","625624","Present",NA,NA
+"28838","7,12-Epoxypleiadene, 1-chloro-7,12-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,12-Epoxypleiadene, 1-chloro-7,12-dihydro-",NA,"C1=CC=C2C3C4=C(C=CC5=C4C(=CC=C5)C(C2=C1)O3)Cl","GRZMPYDBYKGFMD-UHFFFAOYSA-N",363545,NA,"PDBC28838","628510","Present",NA,NA
+"28839","7,15,23-Trimethyl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,15,23-Trimethyl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaene-25,26,27-triol",NA,"CC1=CC2=C(C(=C1)COCC3=CC(=CC(=C3O)COCC4=C(C(=CC(=C4)C)COC2)O)C)O","IGDXOMGCEAOPRC-UHFFFAOYSA-N",395591,NA,"PDBC28839","700321","Present",NA,NA
+"28840","7,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane-3,11-diethanol, dimethanesulfonate (ester), dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,14,15-Trithia-3,11-diazadispiro[5.1.5.2]pentadecane-3,...",NA,"CS(=O)(=O)OCCN1CCC2(CC1)SC3(CCN(CC3)CCOS(=O)(=O)C)SS2.Cl","XJBGBTZCGRRTHE-UHFFFAOYSA-N",54598348,NA,"PDBC28840","166576","Present",NA,NA
+"28841","7,16-Bis((2-methoxy-1-naphthyl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,16-Bis((2-methoxy-1-naphthyl)methyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane",NA,"COC1=C(C2=CC=CC=C2C=C1)CN3CCOCCOCCN(CCOCCOCC3)CC4=C(C=CC5=CC=CC=C54)OC","GBWBQAOVOFAEPQ-UHFFFAOYSA-N",374351,NA,"PDBC28841","651922","Present",NA,NA
+"28842","7,16-Dimethyl-17,18-dithia-2,5,7,8,10,13,15,16-octazatricyclo[12.2.1.16,9]octadeca-1,5,9,13-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,16-Dimethyl-17,18-dithia-2,5,7,8,10,13,15,16-octazatricyclo[12.2.1.16,9]octadeca-1,5,9,13-tetraene",NA,"CN1C2=NCCN=C3N(NC(=NCCN=C(N1)S2)S3)C","FHFUXVGLGFPAJB-UHFFFAOYSA-N",375400,NA,"PDBC28842","655071","Present",NA,NA
+"28843","7,17-Dimethoxy-10,14-dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4(9),5,7,11,15(20),16,18-octaene;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,17-Dimethoxy-10,14-dithia-3,12-diaza-1-azoniapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),4(9),5,7,11,15(20),16,18-octaene;iodide",NA,"COC1=CC2=C(C=C1)N3C[N+]4=C(N=C3S2)SC5=C4C=CC(=C5)OC.[I-]","VLBFQQLDHVXCGD-UHFFFAOYSA-M",404661,NA,"PDBC28843","721084","Present",NA,NA
+"28844","7,17-Ditert-butyl-19,20-dimethoxy-3-thiatricyclo[13.3.1.15,9]icosa-1(18),5,7,9(20),15(19),16-hexaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,17-Ditert-butyl-19,20-dimethoxy-3-thiatricyclo[13.3.1.15,9]icosa-1(18),5,7,9(20),15(19),16-hexaene",NA,"CC(C)(C)C1=CC2=C(C(=C1)CSCC3=CC(=CC(=C3OC)CCCCC2)C(C)(C)C)OC","LQVRLBFBRSHSQZ-UHFFFAOYSA-N",380672,NA,"PDBC28844","666366","Present",NA,NA
+"28845","7,18-Trimethoxy mycalamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,17,18-Trimethoxy mycalamide A",NA,"CC1C(OC(CC1=C)(C(C(=O)NC2C3C(C(C(C(O3)CC(COC)OC)(C)C)OC)OCO2)OC)OC)C","WHWTVBBYUVXRPA-GKILZHAESA-N",6711422,NA,"PDBC28845","626171","Present",NA,NA
+"28846","7,18-Trimethoxy, N-methyl mycalamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,17,18-Trimethoxy, N-methyl mycalamide A",NA,"CC1C(OC(CC1=C)(C(C(=O)N(C)C2C3C(C(C(C(O3)CC(COC)OC)(C)C)OC)OCO2)OC)OC)C","WPGKOWYPVGVUHI-MSWOGIACSA-N",6711423,NA,"PDBC28846","626172","Present",NA,NA
+"28847","7,2',3',4'-Tetramethoxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,2',3',4'-Tetramethoxyflavone",NA,"COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=C(C(=C(C=C3)OC)OC)OC","ZKOORGFFMZYXJI-UHFFFAOYSA-N",373144,NA,"PDBC28847","649087","Present",NA,NA
+"28848","7,2',4',5'-Tetramethoxyisoflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMPK12050091",NA,"COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3OC)OC)OC","LMCHYXAZXISBOS-UHFFFAOYSA-N",165203,NA,"PDBC28848","646923","Present",NA,NA
+"28849","7,2-b:5,4-b']Diindole hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,12-Dihydropyrido[3,2-b:5,4-b']diindole hydrochloride",NA,"C1=CC=C2C(=C1)C3=C4C(=NC=C3N2)C5=CC=CC=C5N4.Cl","MODTUTKNLJAQTB-UHFFFAOYSA-N",360771,NA,"PDBC28849","623112","Present",NA,NA
+"28850","7,4'-Dimethoxy-5-hydroxyisoflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O617EDC7HT",NA,"COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)OC","DQNLRFRBAWCJHQ-UHFFFAOYSA-N",5386259,NA,"PDBC28850","604926","Present",NA,NA
+"28851","7,6-Dimethyl-4-oxo-4H-pyrrolo(3,2,1-ij)quinoli ne-1-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dihydroxy-2,6-dimethyl-4-oxo-4H-pyrrolo(3,2,1-ij)qui...",NA,"CCOC(=O)C1=C(N2C(=O)C=C(C3=C2C1=CC(=C3O)O)C)C","NBZKPFFUDGFMEE-UHFFFAOYSA-N",24205254,NA,"PDBC28851","734757","Present",NA,NA
+"28852","7,6-Dimethyl-4-oxo-4H-pyrrolo[3,2,1-ij]quinoline-1-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Diacetoxy-2,6-dimethyl-4-oxo-4H-pyrrolo[3,2,1-ij]qui...",NA,"CCOC(=O)C1=C(N2C(=O)C=C(C3=C2C1=CC(=C3OC(=O)C)OC(=O)C)C)C","HWWPFILBVRXMNW-UHFFFAOYSA-N",45028122,NA,"PDBC28852","741202","Present",NA,NA
+"28853","7,7'-Dimethoxyperonatin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692341",NA,"CC1=C2C(=C(C=C1)OC)NC(C2=O)(C)C3(C(=O)C4=C(C=CC(=C4N3)OC)C)C","VJPYNRLFQXJJDD-SZPZYZBQSA-N",392208,NA,"PDBC28853","692341","Present",NA,NA
+"28854","7,7'-methylenebis(5-nitroquinolin-8-ol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7'-methylenebis(5-nitroquinolin-8-ol)",NA,"C1=CC2=C(C=C(C(=C2N=C1)O)CC3=CC(=C4C=CC=NC4=C3O)[N+](=O)[O-])[N+](=O)[O-]","IDLYRQLIMDZRHY-UHFFFAOYSA-N",279605,NA,"PDBC28854","130796","Present",NA,NA
+"28855","7,7,11-Trimethyl-2-methylsulfanyl-10-(4-nitrophenyl)-3-phenoxy-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7,11-Trimethyl-2-methylsulfanyl-10-(4-nitrophenyl)-3-phenoxy-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one",NA,"CC1=CC2=C(N1C3=CC=C(C=C3)[N+](=O)[O-])CC(CN4C2(C(C4=O)OC5=CC=CC=C5)SC)(C)C","JOQMPQQBTPGPFD-UHFFFAOYSA-N",395703,NA,"PDBC28855","700498","Present",NA,NA
+"28856","7,7,11-Trimethyl-2-methylsulfanyl-3-phenoxy-10-phenyl-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7,11-Trimethyl-2-methylsulfanyl-3-phenoxy-10-phenyl-5,10-diazatricyclo[7.3.0.02,5]dodeca-1(9),11-dien-4-one",NA,"CC1=CC2=C(N1C3=CC=CC=C3)CC(CN4C2(C(C4=O)OC5=CC=CC=C5)SC)(C)C","UWXXNCLSFKTBBZ-UHFFFAOYSA-N",395701,NA,"PDBC28856","700496","Present",NA,NA
+"28857","7,7,7-Trifluoro-6-hydroxy-2-methyl-6-(trifluoromethyl)-2-hepten-4-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7,7-Trifluoro-6-hydroxy-2-methyl-6-(trifluoromethyl)-2-hepten-4-one oxime",NA,"CC(=CC(=NO)CC(C(F)(F)F)(C(F)(F)F)O)C","KNKGZAQAWGWHOT-OMCISZLKSA-N",6105374,NA,"PDBC28857","664272","Present",NA,NA
+"28858","7,7,9,9-Tetramethyl-17-oxabicyclo[14.1.0]heptadecan-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7,9,9-Tetramethyl-17-oxabicyclo[14.1.0]heptadecan-8-one",NA,"CC1(CCCCCCC2C(O2)CCCCCC(C1=O)(C)C)C","HMPXPHQKGBGQSI-UHFFFAOYSA-N",385896,NA,"PDBC28858","677297","Present",NA,NA
+"28859","7,7,9,9-Tetramethylbicyclo[14.1.0]heptadecan-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7,9,9-Tetramethylbicyclo[14.1.0]heptadecan-8-one",NA,"CC1(CCCCCCC2CC2CCCCCC(C1=O)(C)C)C","APFUKGAGJOUSBI-UHFFFAOYSA-N",385898,NA,"PDBC28859","677299","Present",NA,NA
+"28860","7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-(4-methylphenyl)-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-(p-tolyl)-5h-pyrano[5,6-e]pyrimidine-2,4-dione",NA,"CC1=CC=C(C=C1)C2C3=C(N(C(=O)N(C3=O)C)C)OC(C2(F)F)(N(C)C)N(C)C","XDYYLDHVGOHZLE-UHFFFAOYSA-N",395442,NA,"PDBC28860","699987","Present",NA,NA
+"28861","7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-[4-(trifluoromethyl)phenyl]-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,"CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=C(C=C3)C(F)(F)F)C(=O)N(C1=O)C","IGTAANQHWGFRTO-UHFFFAOYSA-N",395440,NA,"PDBC28861","699985","Present",NA,NA
+"28862","7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-phenyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7-Bis(dimethylamino)-6,6-difluoro-1,3-dimethyl-5-phenyl-5h-pyrano[5,6-e]pyrimidine-2,4-dione",NA,"CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=CC=C3)C(=O)N(C1=O)C","TZITYCCTASQNQU-UHFFFAOYSA-N",395438,NA,"PDBC28862","699983","Present",NA,NA
+"28863","7,7-Bis(dimethylamino)-6,6-difluoro-5-(4-fluorophenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7-Bis(dimethylamino)-6,6-difluoro-5-(4-fluorophenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,"CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=C(C=C3)F)C(=O)N(C1=O)C","CWYONDYVNJUIML-UHFFFAOYSA-N",395439,NA,"PDBC28863","699984","Present",NA,NA
+"28864","7,7-Bis(dimethylamino)-6,6-difluoro-5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7-Bis(dimethylamino)-6,6-difluoro-5-(4-methoxyphenyl)-1,3-dimethyl-5H-pyrano[2,3-d]pyrimidine-2,4-dione",NA,"CN1C2=C(C(C(C(O2)(N(C)C)N(C)C)(F)F)C3=CC=C(C=C3)OC)C(=O)N(C1=O)C","GQPAQKAFLUFZDY-UHFFFAOYSA-N",395443,NA,"PDBC28864","699988","Present",NA,NA
+"28865","7,7-Dimethyl-5-oxo-4-(p-tolyl)-2-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-6,8-dihydroquinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7-Dimethyl-4-(4-methylphenyl)-5-oxo-2-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-6,8-dihydroquinoline-3-carbonitrile",NA,"CC1=CC=C(C=C1)C2=C(C(=S)N(C3=C2C(=O)CC(C3)(C)C)C4C(C(C(C(O4)CO)O)O)O)C#N","LRPQGROTWAFGTD-UHFFFAOYSA-N",385416,NA,"PDBC28865","676596","Present",NA,NA
+"28866","7,7-Dimethyl-5-oxo-4-phenyl-2-thioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,7-Dimethyl-5-oxo-4-phenyl-2-thioxo-3,4,6,8-tetrahydro-1H-quinoline-3-carbonitrile",NA,"CC1(CC2=C(C(C(C(=S)N2)C#N)C3=CC=CC=C3)C(=O)C1)C","VHILVZXCKMZRHS-UHFFFAOYSA-N",3004976,NA,"PDBC28866","666143","Present",NA,NA
+"28867","7,7-Dimethyl-7,8-dihydro-6H-3lambda(4)-(1,2,5)oxaselenazolo(4,3,2-hi)(2,1,3)benzoxaselenazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-[1,2,5]Oxaselenazolo[4,3,2-hi][2,1,3]benzoxaselenazol...",NA,"CC1(CC2=NO[Se]3=C2C(=NO3)C1)C","GYXHLRQHDONJKQ-UHFFFAOYSA-N",332306,NA,"PDBC28867","328587","Present",NA,NA
+"28868","7,7-Ethano-1H-isoindol-1,3,5(2H,4H)trione HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,9-dimethyl-2-[2-( piperidin-1-yl)-ethyl]-4,7-ethano-1H...",NA,"CC1CC2(CC(=O)C1C3C2C(=O)N(C3=O)CCN4CCCCC4)C.Cl","JFNSBBPWIMALGU-UHFFFAOYSA-N",24205635,NA,"PDBC28868","736302","Present",NA,NA
+"28869","7,7a,12,12a-Tetrahydro-6H-indolo[2,3-a]quinolizin-5-ium-3-ylmethanol;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Hydroxymethyl)-7,7a,12,12a-tetrahydro-6H-indolo[2,3-a]quinolizin-5-ium bromide",NA,"C1C[N+]2=C(C=CC(=C2)CO)C3C1C4=CC=CC=C4N3.[Br-]","DOOLMBAPOQEHCE-UHFFFAOYSA-M",372786,NA,"PDBC28869","648410","Present",NA,NA
+"28870","7,8,10,11-Tetramethoxy-4,5-dihydrodibenzo[de,g][1,3]thiazolo[5,4,3-ij]quinoline-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8,10,11-Tetramethoxy-4,5-dihydrodibenzo[de,g][1,3]thiazolo[5,4,3-ij]quinoline-2-thione",NA,"COC1=C(C2=C3C(=C1)CCN4C3=C(C5=CC(=C(C=C52)OC)OC)SC4=S)OC","ZKLIHPWOVLUFIH-UHFFFAOYSA-N",363055,NA,"PDBC28870","627604","Present",NA,NA
+"28871","7,8,10-Trichlorobenzo[b]quinolizin-5-ium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8,10-Trichlorobenzo[b]quinolizin-5-ium;bromide",NA,"C1=CC=[N+]2C=C3C(=CC2=C1)C(=CC(=C3Cl)Cl)Cl.[Br-]","QDJXSNOOTOKQOO-UHFFFAOYSA-M",24189942,NA,"PDBC28871","98850","Present",NA,NA
+"28872","7,8,8a,9-Tetrachloro-7-isopropyl-1,4a-dimethyl-2,3,4,4b,5,6,8,9,10,10a-decahydrophenanthrene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8,8A,9-TETRACHLOROTETRADECAHYDRO-7-ISOPROPYL-1.BETA.,4...",NA,"CC(C)C1(CCC2C3(CCCC(C3CC(C2(C1Cl)Cl)Cl)(C)C(=O)O)C)Cl","CUPOGARAUNRNNM-UHFFFAOYSA-N",220359,NA,"PDBC28872","2979","Present",NA,NA
+"28873","7,8,9,10-Tetrachlorobenzo[b]thianthrene-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[b]thianthrene-6,11-dione, 7,8,9,10-tetrachloro-",NA,"C1=CC=C2C(=C1)SC3=C(S2)C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl","UAMWHAKPTOMSJE-UHFFFAOYSA-N",388896,NA,"PDBC28873","684126","Present",NA,NA
+"28874","7,8,9-Trimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]isoquinoline Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8,9-Trimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]iso...",NA,"COC1=C(C(=C2C(=C1)CC3=C2N=CC4=CC5=C(C=C34)OCO5)OC)OC.Cl","ASOIHPDMWAQBMW-UHFFFAOYSA-N",11303773,NA,"PDBC28874","730927","Present",NA,NA
+"28875","7,8,9-Trimethoxy-4,5-dihydro-1H-benzo[g]indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cl-1040",NA,"COC1=C(C(=C2C(=C1)CCC3=C2NN=C3)OC)OC","VONKCQOBBGPOLW-UHFFFAOYSA-N",318147,NA,"PDBC28875","252841","Present",NA,NA
+"28876","7,8-Bis(4-morpholinylmethyl)-1-phenazinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Bis(4-morpholinylmethyl)-1-phenazinol",NA,"C1COCCN1CC2=CC3=NC4=C(C(=CC=C4)O)N=C3C=C2CN5CCOCC5","KQSOGXCTXJSYEF-UHFFFAOYSA-N",135408944,NA,"PDBC28876","647138","Present",NA,NA
+"28877","7,8-Dehydrocalotropin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dehydrocalotropin",NA,"CC1CC(C2(C(O1)OC3CC4CC=C5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O","LYTOHESBUGTAQI-XUJBKRNKSA-N",390666,NA,"PDBC28877","688285","Present",NA,NA
+"28878","7,8-Diacetoxy-4-methylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Diacetoxy-4-methylcoumarin",NA,"CC1=CC(=O)OC2=C1C=CC(=C2OC(=O)C)OC(=O)C","BENRIKOGQFXSRY-UHFFFAOYSA-N",390798,NA,"PDBC28878","688794","Present",NA,NA
+"28879","7,8-Dichloro-1'-ethyl-9-methyl-1-oxospiro[2,4-dihydropyrido[3,4-b]indole-3,4'-piperidine]-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4'RS)-7',8'-Dichloro-1-ethyl-1',2',4',9'-tetrahydro-9'-...",NA,"CCN1CCC2(CC1)C(C3=C(C(=O)N2)N(C4=C3C=CC(=C4Cl)Cl)C)C#N","AFDBGHRXCSHKMT-UHFFFAOYSA-N",45029455,NA,"PDBC28879","746886","Present",NA,NA
+"28880","7,8-Dichloroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dichloroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester",NA,"CCOC(=O)C1=CN2C3=C(C(=C(C=C3)Cl)Cl)SC2=N1","DSHKCAIUIBAHPU-UHFFFAOYSA-N",396588,NA,"PDBC28880","703096","Present",NA,NA
+"28881","7,8-Dihydro-6H-chromeno[3,2-d]xanthene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782680",NA,"C1CC2=CC3=CC=CC=C3OC24C(=CC5=CC=CC=C5O4)C1","LYEJVCFCUNTVTO-UHFFFAOYSA-N",4128935,NA,"PDBC28881","782680","Present",NA,NA
+"28882","7,8-Dihydro-7-methyl-8-(3,4,5-trimethoxyphenyl)-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dihydro-6-hydroxy-7-methyl-8-(3,4,5-trimethoxyphenyl...",NA,"CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","RBDOZECECGJHSC-UHFFFAOYSA-N",146605,NA,"PDBC28882","381586","Present",NA,NA
+"28883","7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dihydro-8-(2-hydroxy-3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol",NA,"CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)O)O","DZDDYTVGTMPQDK-UHFFFAOYSA-N",146661,NA,"PDBC28883","602340","Present",NA,NA
+"28884","7,8-Dihydro-8-(4-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dihydro-8-(4-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol",NA,"CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)OC)O","SKEQREZONVCYKI-UHFFFAOYSA-N",146591,NA,"PDBC28884","601098","Present",NA,NA
+"28885","7,8-Dihydroxy-6-methyl-4-oxo-2-phenyl-4H-pyrrolo[321-ij]quinoline-1-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dihydroxy-6-methyl-4-oxo-2-phenyl-4H-pyrrolo[321-ij]...",NA,"CCOC(=O)C1=C(N2C(=O)C=C(C3=C2C1=CC(=C3O)O)C)C4=CC=CC=C4","SDBHBTNPCWIPJS-UHFFFAOYSA-N",45028125,NA,"PDBC28885","741205","Present",NA,NA
+"28886","7,8-Dihydroxyflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-dihydroxyflavone",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)O","COCYGNDCWFKTMF-UHFFFAOYSA-N",1880,NA,"PDBC28886","750341","Present",NA,NA
+"28887","7,8-Dimethoxy-2-(4-pyridinyl)-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethoxy-2-(4-pyridinyl)-4H-chromen-4-one",NA,"COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC=NC=C3)OC","ALQKKXUUQCNATE-UHFFFAOYSA-N",244087,NA,"PDBC28887","54646","Present",NA,NA
+"28888","7,8-Dimethoxy-3-methyl-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethoxy-3-methyl-1-vinyl-1,3,4,5-tetrahydro-2,3-benzoxazepine",NA,"CN1CCC2=CC(=C(C=C2C(O1)C=C)OC)OC","NVFXKVZYPUYBLQ-UHFFFAOYSA-N",383920,NA,"PDBC28888","672876","Present",NA,NA
+"28889","7,8-Dimethoxy-4-methylchromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL463780",NA,"CC1=CC(=O)OC2=C1C=CC(=C2OC)OC","KVRKWGMQOATVAE-UHFFFAOYSA-N",390797,NA,"PDBC28889","688793","Present",NA,NA
+"28890","7,8-Dimethyl-1-[(4-chlorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethyl-1-[(4-chlorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=C4CCCC4=C(C3=N2)C#N)NC5=CC=C(C=C5)Cl","CFVCNNCUDANEGC-UHFFFAOYSA-N",395407,NA,"PDBC28890","699943","Present",NA,NA
+"28891","7,8-Dimethyl-1-[(4-chlorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethyl-1-[(4-chlorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)NC5=CC=C(C=C5)Cl","FMROIAUBQROLMQ-UHFFFAOYSA-N",395413,NA,"PDBC28891","699949","Present",NA,NA
+"28892","7,8-Dimethyl-1-[(4-fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethyl-1-[(4-fluorophenyl)amino]-2,3-propanopyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=C4CCCC4=C(C3=N2)C#N)NC5=CC=C(C=C5)F","ZJLCCZCCHGTMKS-UHFFFAOYSA-N",397345,NA,"PDBC28892","704955","Present",NA,NA
+"28893","7,8-Dimethyl-1-[(4-fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethyl-1-[(4-fluorophenyl)amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)NC5=CC=C(C=C5)F","DSLRJCZNJKKBEK-UHFFFAOYSA-N",395409,NA,"PDBC28893","699945","Present",NA,NA
+"28894","7,8-Dimethyl-1-[2-(4-methylphenyl)sulfanylphenyl]-4-phenyl-10-oxa-4,8-diazatricyclo[5.2.1.02,6]decane-3,5,9-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethyl-1-[2-(4-methylphenyl)sulfanylphenyl]-4-phenyl-10-oxa-4,8-diazatricyclo[5.2.1.02,6]decane-3,5,9-trione",NA,"CC1=CC=C(C=C1)SC2=CC=CC=C2C34C5C(C(=O)N(C5=O)C6=CC=CC=C6)C(O3)(N(C4=O)C)C","YTMYXIYWLLLPAD-UHFFFAOYSA-N",397448,NA,"PDBC28894","705306","Present",NA,NA
+"28895","7,8-Dimethyl-1-[[3-(trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethyl-1-[[3-(trifluoromethyl)phenyl]amino]-3-phenylpyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=CC(=C(C3=N2)C#N)C4=CC=CC=C4)NC5=CC=CC(=C5)C(F)(F)F","XIGSFIUKPMKUMH-UHFFFAOYSA-N",395411,NA,"PDBC28895","699947","Present",NA,NA
+"28896","7,8-Dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)phenyl]diazenyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethyl-1-oxo-3-phenyl-2-[[3-(trifluoromethyl)phenyl]diazenyl]-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=O)N=NC4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5)C#N)N2","QQASDVVPWXMREH-UHFFFAOYSA-N",395423,NA,"PDBC28896","699959","Present",NA,NA
+"28897","7,8-Dimethyl-1H-pyrimido[4,5-b]quinoline-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethylpyrimido[4,5-b]quinoline-2,4(1H,3H)-dione",NA,"CC1=CC2=CC3=C(NC(=O)NC3=O)N=C2C=C1C","FSOQDJAHSRUDCZ-UHFFFAOYSA-N",5351954,NA,"PDBC28897","109174","Present",NA,NA
+"28898","7,8-Dimethyl-2,5-dioxo-3,4-dihydro-1H-1-benzazepine-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethyl-2,5-dioxo-3,4-dihydro-1H-1-benzazepine-9-carbonitrile",NA,"CC1=CC2=C(C(=C1C)C#N)NC(=O)CCC2=O","XLABEKGAUKJTCL-UHFFFAOYSA-N",360071,NA,"PDBC28898","621869","Present",NA,NA
+"28899","7,8-Dimethyl-2-(morpholin-4-ylmethyl)-1-oxo-3-phenyl-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethyl-2-(morpholinomethyl)-1-oxo-3-phenyl-5h-pyrido[2,1-b]benzimidazole-4-carbonitrile",NA,"CC1=CC2=C(C=C1C)N3C(=C(C(=C(C3=O)CN4CCOCC4)C5=CC=CC=C5)C#N)N2","HPSQSUDOIUFXAJ-UHFFFAOYSA-N",395425,NA,"PDBC28899","699961","Present",NA,NA
+"28900","7,8-Dimethyl-3-phenyl-3,4-dihydro-9H-thieno[2',3':4,5]pyrimido[2,1-f][1,2,4]triazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Dimethyl-11-phenyl-6-thia-1,8,11,13-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,12-tetraen-2-one",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)CN(C=N3)C4=CC=CC=C4)C","JBNYYPVEBMJGHB-UHFFFAOYSA-N",390744,NA,"PDBC28900","688503","Present",NA,NA
+"28901","7,8-Dimethyl-5,10-dihydrobenzo[g]quinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dimethylbenzo[g]quinoline-5,10-dione",NA,"CC1=CC2=C(C=C1C)C(=O)C3=C(C2=O)C=CC=N3","JNVRQZLSSYDUTG-UHFFFAOYSA-N",386101,NA,"PDBC28901","677733","Present",NA,NA
+"28902","7,8-Dimethyl-6-oxo-2,4,10-triphenyl-3,4,9,10-tetrahydropyrido[3',4':3,4]pyrrolo[1,2-a][1,3,5]triazine-6a,10a(2H,6H)-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,11-Dimethyl-8-oxo-4,6,13-triphenyl-3,5,7,12-tetrazatricyclo[7.4.0.02,7]trideca-2,10-diene-1,9-dicarbonitrile",NA,"CC1=C(NC(C2(C1(C(=O)N3C2=NC(NC3C4=CC=CC=C4)C5=CC=CC=C5)C#N)C#N)C6=CC=CC=C6)C","COHWZLUGAVGLBT-UHFFFAOYSA-N",394330,NA,"PDBC28902","697699","Present",NA,NA
+"28903","7,8-Diphenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Diphenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one",NA,"C1CC2CC3(N(C(=O)C2(C1)S3)C4=CC=CC=C4)C5=CC=CC=C5","HZNSFJWOZITKMB-UHFFFAOYSA-N",397460,NA,"PDBC28903","705318","Present",NA,NA
+"28904","7,8lambda4,9-Trithiatetracyclo[6.6.0.02,6.010,14]tetradeca-1(8),2(6),10(14)-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8lambda4,9-Trithiatetracyclo[6.6.0.02,6.010,14]tetradeca-1(8),2(6),10(14)-triene",NA,"C1CC2=C(C1)SS3=C2C4=C(S3)CCC4","LKNCGWPXBFKOHK-UHFFFAOYSA-N",363030,NA,"PDBC28904","627574","Present",NA,NA
+"28905","7,9-Bis(2-chlorophenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,9-Bis(2-chlorophenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one",NA,"C=C1CC2(CC(OC(C2)C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)OC1=O","ZWQMKUQWBAAFDT-UHFFFAOYSA-N",357606,NA,"PDBC28905","617129","Present",NA,NA
+"28906","7,9-Bis(2-methoxyphenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,9-Bis(2-methoxyphenyl)-3-methylidene-1,8-dioxaspiro[4.5]decan-2-one",NA,"COC1=CC=CC=C1C2CC3(CC(O2)C4=CC=CC=C4OC)CC(=C)C(=O)O3","ONBOURZBYMXYJY-UHFFFAOYSA-N",357607,NA,"PDBC28906","617130","Present",NA,NA
+"28907","7,9-Dichloro-2,3-dimethyl-6H-indolo[2,3-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,9-Dichloro-2,3-dimethyl-6H-indolo[2,3-b]quinoxaline",NA,"CC1=CC2=C(C=C1C)N=C3C(=N2)C4=C(N3)C(=CC(=C4)Cl)Cl","DWGCKULOBLPGAX-UHFFFAOYSA-N",5351951,NA,"PDBC28907","108098","Present",NA,NA
+"28908","7-((10-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)decyl)oxy)-2-phenyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-((10-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)decyl)oxy)-2-phenyl-4H-chromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCCCCCCCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6","NYBFKDXVDBPZKU-UHFFFAOYSA-N",373054,NA,"PDBC28908","648886","Present",NA,NA
+"28909","7-((2-(3,5-Dibromo-4-hydroxyphenyl)ethyl)amino)-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Quinolinedione, 7-[[2-(3,5-dibromo-4-hydroxyphenyl)e...",NA,"C1=CC2=C(C(=O)C(=CC2=O)NCCC3=CC(=C(C(=C3)Br)O)Br)N=C1","OHPHDPYJEHZGDE-UHFFFAOYSA-N",381594,NA,"PDBC28909","668394","Present",NA,NA
+"28910","7-((4,9-Dioxo-2,7-decadienoyl)oxy)-4,9-dioxo-2-decenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-((4,9-Dioxo-2,7-decadienoyl)oxy)-4,9-dioxo-2-decenoic acid",NA,"CC(=O)CC(CCC(=O)C=CC(=O)O)OC(=O)C=CC(=O)CCC=CC(=O)C","BXDWMBHVQJFBPQ-ZEGDIPTBSA-N",5459240,NA,"PDBC28910","657323","Present",NA,NA
+"28911","7-((4-((1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl)-1-piperazinyl)methyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[[4-[(1,3-Dimethyl-2,6-dioxopurin-7-yl)methyl]piperazin-1-yl]methyl]-1,3-dimethylpurine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CN3CCN(CC3)CN4C=NC5=C4C(=O)N(C(=O)N5C)C","QWNZKLOXUCIPHH-UHFFFAOYSA-N",270751,NA,"PDBC28911","113491","Present",NA,NA
+"28912","7-((4-Hydroxy-2-quinazolinyl)methoxy)-4-methyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-((4-Hydroxy-2-quinazolinyl)methoxy)-4-methyl-2H-chromen-2-one",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=NC4=CC=CC=C4C(=O)N3","GEGWXPGUMGKWBS-UHFFFAOYSA-N",135499191,NA,"PDBC28912","643011","Present",NA,NA
+"28913","7-(1,1-Dimethyl-2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-2-phenyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(1,1-Dimethyl-2-oxo-2-(4-phenyl-1-piperazinyl)ethoxy)-2-phenyl-4H-chromen-4-one",NA,"CC(C)(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5","BMDABUHQUQQFFC-UHFFFAOYSA-N",378557,NA,"PDBC28913","661195","Present",NA,NA
+"28914","7-(1,4-Dimethoxy-3-methyl-2-naphthyl)-5-methyl-5-hepten-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(1,4-Dimethoxy-3-methyl-2-naphthyl)-5-methyl-5-hepten-1-ol",NA,"CC1=C(C2=CC=CC=C2C(=C1CC=C(C)CCCCO)OC)OC","URWWGLPWDXOMQN-NTCAYCPXSA-N",5469370,NA,"PDBC28914","687143","Present",NA,NA
+"28915","7-(1-Aziridinyl)-8-methyl-6,9-dioxo-1,2,3,4,6,9-hexahydropyrido[1,2-a]benzimidazol-4-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(1-Aziridinyl)-8-methyl-6,9-dioxo-1,2,3,4,6,9-hexahydropyrido[1,2-a]benzimidazol-4-yl acetate",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCCC(C3=N2)OC(=O)C)N4CC4","DQBAFHSEZZMUNI-UHFFFAOYSA-N",374012,NA,"PDBC28915","651086","Present",NA,NA
+"28916","7-(1H-Pyrrol-2-yl)-1,8-naphthyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(1H-Pyrrol-2-yl)-1,8-naphthyridin-2-amine",NA,"C1=CNC(=C1)C2=NC3=C(C=C2)C=CC(=N3)N","YRLSTYKGZVRJEF-UHFFFAOYSA-N",395724,NA,"PDBC28916","700523","Present",NA,NA
+"28917","7-(2,2-Diphenylethyl)-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2,2-Diphenylethyl)-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,"CC1=C(N(C2=C1S(=O)(=O)C(=NN2)C#N)CC(C3=CC=CC=C3)C4=CC=CC=C4)C","KSJZERVPOGCQDG-UHFFFAOYSA-N",392825,NA,"PDBC28917","693802","Present",NA,NA
+"28918","7-(2,3-Dihydroxypropyl)guanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2,3-Dihydroxypropyl)guanine",NA,"C1=NC2=C(N1CC(CO)O)C(=O)NC(=N2)N","CITNURIPFANLSS-UHFFFAOYSA-N",135465365,NA,"PDBC28918","637510","Present",NA,NA
+"28919","7-(2,4-Dinitrophenyl)-3,8-dioxido-triazolo[4,5-g][2,1,3]benzoxadiazole-3,8-diium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2,4-Dinitrophenyl)-3,8-dioxido-triazolo[4,5-g][2,1,3]benzoxadiazole-3,8-diium",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2N=C3C=CC4=[N+](ON=C4C3=[N+]2[O-])[O-]","SSTNXBWNABSLGO-UHFFFAOYSA-N",382097,NA,"PDBC28919","669456","Present",NA,NA
+"28920","7-(2,5-Dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2,5-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]i...",NA,"COC1=CC(=C(C=C1)OC)CN2C=C3CCC4=C(C3=C2)ON=C4","ASYPZPBZUPOZOB-UHFFFAOYSA-N",60148286,NA,"PDBC28920","754092","Present",NA,NA
+"28921","7-(2,5-Dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2,5-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazol...",NA,"COC1=CC(=C(C=C1)OC)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5","WXRBOCFUPLGSFH-UHFFFAOYSA-N",60148270,NA,"PDBC28921","754076","Present",NA,NA
+"28922","7-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine",NA,"COC1=CC(=C(C=C1)OC)C2CCCC3=C4C(=NC(=NC4=NC=C23)N)N","MAKJOOFFSYGGBL-UHFFFAOYSA-N",402877,NA,"PDBC28922","717167","Present",NA,NA
+"28923","7-(2-((10-((2-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)ethyl)thio)decyl)thio)ethoxy)-2-phenyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[2-[10-[2-(4-Oxo-2-phenylchromen-7-yl)oxyethylsulfanyl]decylsulfanyl]ethoxy]-2-phenylchromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCSCCCCCCCCCCSCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6","KNEBKOMXCMYZEB-UHFFFAOYSA-N",373049,NA,"PDBC28923","648882","Present",NA,NA
+"28924","7-(2-(3-Furyl)-2-hydroxyethyl)-4-hydroxy-7,8-dimethyloctahydronaphtho[1,8a-c]furan-3(3aH)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-(3-Furyl)-2-hydroxyethyl)-4-hydroxy-7,8-dimethyloctahydronaphtho[1,8a-c]furan-3(3aH)-one",NA,"CC1CCC23COC(=O)C2C(CCC3C1(C)CC(C4=COC=C4)O)O","CDQQKEUOFSHHNN-UHFFFAOYSA-N",368922,NA,"PDBC28924","640327","Present",NA,NA
+"28925","7-(2-(Ethylsulfonyl)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-(Ethylsulfonyl)ethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",NA,"CCS(=O)(=O)CCN1C=NC2=C1C(=O)N(C(=O)N2C)C","PPHIYXOWYYVOQF-UHFFFAOYSA-N",387314,NA,"PDBC28925","681027","Present",NA,NA
+"28926","7-(2-Acetoxy-3-1'-piperidinylpropoxy)-1,4-benzotriazin-3-amine 1,4-dioxide . Trifluoroacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Acetoxy-3-1'-piperidinylpropoxy)-1,2,4-benzotriazin...",NA,"CC(=O)OC(CN1CCCCC1)COC2=CC3=C(C=C2)[N+](=C(N=[N+]3[O-])N)[O-].C(=O)(C(F)(F)F)O","MJTZURXNMATMJH-UHFFFAOYSA-N",135510094,NA,"PDBC28926","628919","Present",NA,NA
+"28927","7-(2-Chlorophenyl)-1,4,8,9-tetrakis(methoxycar bonyl)-bicyclo[3.3.1]non-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Chlorophenyl)-1,3-dihydroxy-2,4,8,9-tetrakis(methox...",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=CC=C3Cl","VHUBCEBGZQLEPJ-KKKPJCFQSA-N",54706360,NA,"PDBC28927","733343","Present",NA,NA
+"28928","7-(2-Cyclopropylethyl)-3,4-dihydroxy-2,2-dimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Cyclopropylethyl)-3,4-dihydroxy-2,2-dimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,"CC1(C(C2C(C(=C)C3(CC3)C(=C2C1=O)CCC4CC4)O)O)C","MYSUPTCWXGKTMX-UHFFFAOYSA-N",406863,NA,"PDBC28928","725154","Present",NA,NA
+"28929","7-(2-Dimethylaminoethyl)-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Dimethylaminoethyl)-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,"CC1=C(N(C2=C1S(=O)(=O)C(=NN2)C#N)CCN(C)C)C","INMVFAAINZQRDO-UHFFFAOYSA-N",392824,NA,"PDBC28929","693801","Present",NA,NA
+"28930","7-(2-Dimethylaminoethyl)-8-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Dimethylaminoethyl)-8-(hydroxymethyl)-1,3-dimethyl-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CO)CCN(C)C","BJVVUXDBTGLBAP-UHFFFAOYSA-N",235298,NA,"PDBC28930","36533","Present",NA,NA
+"28931","7-(2-Hydroxy-3-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Hydroxy-3-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(COC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6)O","DSWRBCMJHPYKPK-UHFFFAOYSA-N",375237,NA,"PDBC28931","654626","Present",NA,NA
+"28932","7-(2-Hydroxy-3-1'-piperidinylpropoxy)-1,4-benzotriazin-3-amine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Hydroxy-3-1'-piperidinylpropoxy)-1,2,4-benzotriazin...",NA,"C1CCN(CC1)CC(COC2=CC3=C(C=C2)N=C(N=[N+]3[O-])N)O","HUBUUZXRYIRXBV-UHFFFAOYSA-N",6711500,NA,"PDBC28932","628920","Present",NA,NA
+"28933","7-(2-Hydroxy-3-isopropoxypropoxy)-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Hydroxy-3-isopropoxypropoxy)-2H-chromen-2-one",NA,"CC(C)OCC(COC1=CC2=C(C=C1)C=CC(=O)O2)O","XXDLEDNWEUOJFI-UHFFFAOYSA-N",381515,NA,"PDBC28933","668271","Present",NA,NA
+"28934","7-(2-Hydroxy-3-isopropoxypropoxy)-3,4,8-trimethyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Hydroxy-3-isopropoxypropoxy)-3,4,8-trimethyl-2H-chromen-2-one",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC(COC(C)C)O)C","QQIWFPNIFSWKLZ-UHFFFAOYSA-N",381518,NA,"PDBC28934","668274","Present",NA,NA
+"28935","7-(2-Hydroxy-3-isopropoxypropoxy)-4-methyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Hydroxy-3-isopropoxypropoxy)-4-methyl-2H-chromen-2-one",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OCC(COC(C)C)O","XLQZSJWRBDDZCX-UHFFFAOYSA-N",381516,NA,"PDBC28935","668272","Present",NA,NA
+"28936","7-(2-Hydroxyethoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2-Hydroxyethoxy)methyl]-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",NA,"C1=C(C2=C(N1)C(=O)NC=N2)COCCO","CWOXLHVCMIKVSP-UHFFFAOYSA-N",135408236,NA,"PDBC28936","649056","Present",NA,NA
+"28937","7-(2-Hydroxyethyl)guanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q26840964",NA,"C1=NC2=C(N1CCO)C(=O)NC(=N2)N","OCAWYYAMQRJCOY-UHFFFAOYSA-N",135484986,NA,"PDBC28937","637506","Present",NA,NA
+"28938","7-(2-Methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoin...",NA,"COC1=CC=CC=C1CN2C=C3CCC4=C(C3=C2)ON=C4","NYUUTGKBHIEFCB-UHFFFAOYSA-N",60148285,NA,"PDBC28938","754091","Present",NA,NA
+"28939","7-(2-Methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,...",NA,"COC1=CC=CC=C1CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5","VMSLKIFRFDOHLF-UHFFFAOYSA-N",60148267,NA,"PDBC28939","754073","Present",NA,NA
+"28940","7-(2-Nitrobenzoyl)-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Nitrobenzoyl)-7-azabicyclo[4.2.0]octa-1,3,5-trien-8-one",NA,"C1=CC=C2C(=C1)C(=O)N2C(=O)C3=CC=CC=C3[N+](=O)[O-]","QTFYYDIKYQFVLE-UHFFFAOYSA-N",347098,NA,"PDBC28940","405582","Present",NA,NA
+"28941","7-(2-Pyrrolidinoethyl)oximino-5-androsten-3b,17b-diol diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Pyrrolidinoethyl)oximino-5-androsten-3b,17b-diol di...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3C(=NOCCN5CCCC5)C=C2C1)CCC4OC(=O)C)C)C","KEOKUNQXCRLVPS-PJVYGFCVSA-N",24205799,NA,"PDBC28941","736759","Present",NA,NA
+"28942","7-(2-Trifluoromethylphenyl)-1,4,8,9-tetrakis(m ethoxycarbonyl)bicyclo[3.3.1]non-3-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-trifluoromethylphenyl)-1,3-dihydroxy-2,4,8,9-tetrak...",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=CC=C3C(F)(F)F","NFXSWNOQVHIYRO-KKKPJCFQSA-N",54706361,NA,"PDBC28942","733346","Present",NA,NA
+"28943","7-(2-{[1,3-Dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}ethyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[2-[[2-Hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]amino]ethyl]-1,3-dimethyl-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC(CO)C(C3=CC=C(C=C3)[N+](=O)[O-])O","ZZKILQVTUWDOMA-UHFFFAOYSA-N",386042,NA,"PDBC28943","677608","Present",NA,NA
+"28944","7-(3,4,5-Trimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3,4,5-trimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-...",NA,"COC1=CC(=CC(=C1OC)OC)CN2C=C3CCC4=C(C3=C2)ON=C4","YDAVKJAPXRUIHD-UHFFFAOYSA-N",60148288,NA,"PDBC28944","754094","Present",NA,NA
+"28945","7-(3,4,5-Trimethoxyphenyl)-6a,10,11,11a-tetrahydro-3H-benzo[de]pyrrolo[2,1-a]isoquinolin-9(7H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-(3,4,5-Trimethoxyphenyl)-14-azatetracyclo[7.6.1.05,16.010,14]hexadeca-2,4,7,9(16)-tetraen-13-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C=CC=C4C3=C(C=CC4)C5N2C(=O)CC5","UZISGKOETGDJKE-UHFFFAOYSA-N",393636,NA,"PDBC28945","695847","Present",NA,NA
+"28946","7-(3,4-Dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3,4-dimethoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]i...",NA,"COC1=C(C=C(C=C1)CN2C=C3CCC4=C(C3=C2)ON=C4)OC","AQQPAZYXDDZERI-UHFFFAOYSA-N",60148287,NA,"PDBC28946","754093","Present",NA,NA
+"28947","7-(3,4-Dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3,4-dimethoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazol...",NA,"COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5)OC","OYFNBGHIYAWWIH-UHFFFAOYSA-N",60148271,NA,"PDBC28947","754077","Present",NA,NA
+"28948","7-(3,4-Dimethoxyphenyl)-7-ethyl-2-hydroxyhexahydro-3H-pyrrolizin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3,4-Dimethoxyphenyl)-7-ethyl-2-hydroxyhexahydro-3H-pyrrolizin-3-one",NA,"CCC1(CCN2C1CC(C2=O)O)C3=CC(=C(C=C3)OC)OC","BPMXUPJHEBLWAB-UHFFFAOYSA-N",394157,NA,"PDBC28948","697391","Present",NA,NA
+"28949","7-(3,5-Dimethyl-1-piperazinyl)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(3,5...",NA,"CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=C(C=C4)N5CCN(CC5)C)F","YBKKWAYASIEQIJ-UHFFFAOYSA-N",384541,NA,"PDBC28949","674549","Present",NA,NA
+"28950","7-(3,5-Dimethylpiperazin-1-yl)-6-fluoro-1-(5-fluoropyridin-2-yl)-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-Fluoro-2-pyridyl)-6-fluoro-(3,5-dimethyl-1-piperazi...",NA,"CC1CN(CC(N1)C)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=NC=C(C=C4)F)F","VOYCIUPMLCDDCP-UHFFFAOYSA-N",384539,NA,"PDBC28950","674547","Present",NA,NA
+"28951","7-(3-((4,8-Dimethyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-4,8-dimethyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-((4,8-Dimethyl-2-oxo-2H-chromen-7-yl)oxy)propoxy)-4,8-dimethyl-2H-chromen-2-one",NA,"CC1=CC(=O)OC2=C1C=CC(=C2C)OCCCOC3=C(C4=C(C=C3)C(=CC(=O)O4)C)C","VYEHRAYYXSMDJC-UHFFFAOYSA-N",375234,NA,"PDBC28951","654623","Present",NA,NA
+"28952","7-(3-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-((4-Oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCCCOC4=CC5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6","MJSPPUXGPXYMDO-UHFFFAOYSA-N",373061,NA,"PDBC28952","648893","Present",NA,NA
+"28953","7-(3-Amino-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-amino-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5...",NA,"COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5)N","MNXCNJAMZLPOFR-UHFFFAOYSA-N",60148283,NA,"PDBC28953","754089","Present",NA,NA
+"28954","7-(3-Amino-4-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-amino-4-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isox...",NA,"COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5)N","NNIHZORVAXIZAJ-UHFFFAOYSA-N",60148277,NA,"PDBC28954","754083","Present",NA,NA
+"28955","7-(3-Bromophenyl)-3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-Bromophenyl)-3-[(E)-2-(2-hydroxynaphthalen-1-yl)ethenyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC3=NN=C4N(C3=O)N=C(S4)C5=CC(=CC=C5)Br)O","LJJVTDWDWCQHGK-MDZDMXLPSA-N",135436150,NA,"PDBC28955","710572","Present",NA,NA
+"28956","7-(3-Diethylaminopropyloxy)-5-hydroxy-2-phenyl-4H-4-chromeno ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-diethylaminopropyloxy)-5-hydroxy-2-phenyl-4H-4-chro...",NA,"CCN(CC)CCCOC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O","RZXBJMASGXLQIJ-UHFFFAOYSA-N",24205896,NA,"PDBC28956","737144","Present",NA,NA
+"28957","7-(3-Ethylamino-2-hydroxypropoxy)-1,4-benzotriazine-3-amine-1,4-dioxide, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-Ethylamino-2-hydroxypropoxy)-1,2,4- benzotriazine-3...",NA,"CCNCC(COC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])N)[O-])O.Cl","OVVCTZLMUHZUPP-UHFFFAOYSA-N",135510065,NA,"PDBC28957","623605","Present",NA,NA
+"28958","7-(3-Hydroxypropoxymethyl)-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(3-Hydroxypropoxy)methyl]-1,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one",NA,"C1=C(C2=C(N1)C(=O)NC=N2)COCCCO","JWDOOSPBDDZILJ-UHFFFAOYSA-N",135408954,NA,"PDBC28958","649160","Present",NA,NA
+"28959","7-(3-Methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoin...",NA,"COC1=CC=CC(=C1)CN2C=C3CCC4=C(C3=C2)ON=C4","JWPJIUTZZXWBIR-UHFFFAOYSA-N",60148284,NA,"PDBC28959","754090","Present",NA,NA
+"28960","7-(3-N-Ethylacetamido-2-acetoxypropoxy)-1,4-benzotriazin-3-amine 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-N-Ethylacetamido-2-acetoxypropoxy)-1,2,4-benzotriaz...",NA,"CCN(CC(COC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])N)[O-])OC(=O)C)C(=O)C","CRULSIDACXYULI-UHFFFAOYSA-N",135470416,NA,"PDBC28960","623601","Present",NA,NA
+"28961","7-(3-N-Ethylacetamido-2-hydroxypropoxy)-1,4-benzo triazin-3-amine-1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-N-Ethylacetamido-2-hydroxypropoxy)-1,2,4-benzo tria...",NA,"CCN(CC(COC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])N)[O-])O)C(=O)C","JWLDKAVCUWWQKX-UHFFFAOYSA-N",135503408,NA,"PDBC28961","623600","Present",NA,NA
+"28962","7-(3-Nitro-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-nitro-4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5...",NA,"COC1=C(C=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5)[N+](=O)[O-]","UPDUEWILHAFPQP-UHFFFAOYSA-N",60148282,NA,"PDBC28962","754088","Present",NA,NA
+"28963","7-(3-{[2-Hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]amino}butyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[3-[[2-Hydroxy-2-(4-hydroxy-3-methylphenyl)ethyl]amino]butyl]-1,3-dimethylpurine-2,6-dione;hydrochloride",NA,"CC1=C(C=CC(=C1)C(CNC(C)CCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O)O.Cl","VYRFISBJNCOURR-UHFFFAOYSA-N",24198352,NA,"PDBC28963","293893","Present",NA,NA
+"28964","7-(4-(Dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hepta-2,4-dienamide, 7-[4-(dimethylamino)phenyl]-N-hydro...",NA,"CC(C=C(C)C=CC(=O)NO)C(=O)C1=CC=C(C=C1)N(C)C","RTKIYFITIVXBLE-WKWSCTOISA-N",6376322,NA,"PDBC28964","709238","Present",NA,NA
+"28965","7-(4-Bromophenyl)-1,3-dimethyl-5-oxido-2,4-dihydropteridin-5-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Bromophenyl)-1,3-dimethyl-5-oxido-2,4-dihydropteridin-5-ium",NA,"CN1CC2=[N+](C=C(N=C2N(C1)C)C3=CC=C(C=C3)Br)[O-]","XSHNQKMKXQHLRW-UHFFFAOYSA-N",4602008,NA,"PDBC28965","621730","Present",NA,NA
+"28966","7-(4-Bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pyrido[2,3-d]pyrimidinedione, 7-(4-bromopheny...",NA,"CN1C2=C(C=CC(=N2)C3=CC=C(C=C3)Br)C(=O)N(C1=O)C","CRTOJKFOOSHBDI-UHFFFAOYSA-N",363708,NA,"PDBC28966","628868","Present",NA,NA
+"28967","7-(4-Bromophenyl)-5-(hydroxyimino)-7-oxo-N-phenylheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Bromophenyl)-5-(hydroxyimino)-7-oxo-N-phenylheptanamide",NA,"C1=CC=C(C=C1)NC(=O)CCCC(=NO)CC(=O)C2=CC=C(C=C2)Br","NYHLULSTEBJGGS-OQKWZONESA-N",5899420,NA,"PDBC28967","632020","Present",NA,NA
+"28968","7-(4-Bromophenyl)-N-(4-methylphenyl)-5,7-dioxoheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Bromophenyl)-N-(4-methylphenyl)-5,7-dioxoheptanamide",NA,"CC1=CC=C(C=C1)NC(=O)CCCC(=O)CC(=O)C2=CC=C(C=C2)Br","WPDFUYQXUXFJHZ-UHFFFAOYSA-N",365040,NA,"PDBC28968","631998","Present",NA,NA
+"28969","7-(4-Chloroanilino)-3-(4-nitrophenyl)triazolo[4,5-d]pyridazin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Chloroanilino)-3-(4-nitrophenyl)triazolo[4,5-d]pyridazin-4-ol",NA,"C1=CC(=CC=C1NC2=NNC(=O)C3=C2N=NN3C4=CC=C(C=C4)[N+](=O)[O-])Cl","QCLHBRTVWSASGD-UHFFFAOYSA-N",3784604,NA,"PDBC28969","679075","Present",NA,NA
+"28970","7-(4-Chlorophenyl)-1-methyl-3-(phenylsulfonyl)-1,6,7-tetrahydro-2H-pyrazolo[3,4-h]quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-chlorophenyl)-1-methyl-3-(phenylsulfonyl)-1,5,6,7-t...",NA,"CN1C2=C(CCC3=C2C=NN3C4=CC=C(C=C4)Cl)C=C(C1=O)S(=O)(=O)C5=CC=CC=C5","YHEDPIVULSUEES-UHFFFAOYSA-N",54613020,NA,"PDBC28970","750759","Present",NA,NA
+"28971","7-(4-Chlorophenyl)-2-methyl-1,6,2-dioxazepane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Chlorophenyl)-2-methyl-1,6,2-dioxazepane",NA,"CN1CCCOC(O1)C2=CC=C(C=C2)Cl","VBEINFJIRJNJDV-UHFFFAOYSA-N",386977,NA,"PDBC28971","680220","Present",NA,NA
+"28972","7-(4-Chlorophenyl)-3,10-dimethyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Chlorophenyl)-3,10-dimethyl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),7-triene",NA,"CN1CCC2=C1C3=C(N=C2C4=CC=C(C=C4)Cl)N(CC3)C","NYUDTRIWNVFCSS-UHFFFAOYSA-N",359465,NA,"PDBC28972","620330","Present",NA,NA
+"28973","7-(4-Chlorophenyl)-4-methyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Chlorophenyl)-4-methyl-2-(methylthio)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine",NA,"CC1=C2CCN(C2=NC(=N1)SC)C3=CC=C(C=C3)Cl","YKCZEKSHOYDPMM-UHFFFAOYSA-N",379756,NA,"PDBC28973","664728","Present",NA,NA
+"28974","7-(4-Chlorophenyl)-9-amino-6H-dibenzo[b,d]pyran-8,10-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-7-(4-chlorophenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile",NA,"C1C2=C(C(=C(C(=C2C3=CC=CC=C3O1)C#N)N)C#N)C4=CC=C(C=C4)Cl","APEFDEUXZVKFBR-UHFFFAOYSA-N",399085,NA,"PDBC28974","709501","Present",NA,NA
+"28975","7-(4-Chlorophenyl)spiro[1,2,4,5,7-tetraoxazocane-3,2'-adamantane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7'-(4-chlorophenyl)spiro[adamantane-2,3'-[1,2,4,5,7]tetr...",NA,"C1C2CC3CC1CC(C2)C34OOCN(COO4)C5=CC=C(C=C5)Cl","RPHKQQPFALSSGX-UHFFFAOYSA-N",155814032,NA,"PDBC28975","803448","Present",NA,NA
+"28976","7-(4-Fluorophenylamino)-3-(4-fluorophenyl)-5-methylthiazolo [4,5-d]pyrimidin-6(7H)-one-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Fluorophenylamino)- 3-(4-fluorophenyl)-5-methylthia...",NA,"CC1=NC(=C2C(=N1)N(C(=S)S2)C3=CC=C(C=C3)F)NC4=CC=C(C=C4)F","NMBUVSXDKZRPKE-UHFFFAOYSA-N",405146,NA,"PDBC28976","722183","Present",NA,NA
+"28977","7-(4-Hydroxy-1-methyl-2-oxo-3-quinolyl)-5-methyl-7H-chromeno[3,2-c]quinolin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Hydroxy-1-methyl-2-oxo-3-quinolyl)-5-methyl-7H-chromeno[3,2-c]quinolin-6-one",NA,"CN1C2=CC=CC=C2C(=C(C1=O)C3C4=CC=CC=C4OC5=C3C(=O)N(C6=CC=CC=C65)C)O","ITFULUCYHTWREB-UHFFFAOYSA-N",54687026,NA,"PDBC28977","642524","Present",NA,NA
+"28978","7-(4-Hydroxy-3-methoxyphenyl)-5-((3-hydroxy-2-naphthoyl)hydrazono)-N-(2-(hydroxy(oxido)amino)phenyl)-7-oxoheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-N-[(E)-[1-(4-hydroxy-3-methoxyphenyl)-7-(2-nitroanilino)-1,7-dioxoheptan-3-ylidene]amino]naphthalene-2-carboxamide",NA,"COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CCCC(=O)NC4=CC=CC=C4[N+](=O)[O-])O","DXKQDINBZYIUQK-STKMKYKTSA-N",9569991,NA,"PDBC28978","630373","Present",NA,NA
+"28979","7-(4-Hydroxy-3-nitrobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Purine, 2,6(1H,3H)-dione, 7-[(4-hydroxy-3-nitrophynyl...",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC(=C(C=C3)O)[N+](=O)[O-]","LLWMYLUVPAFKNJ-UHFFFAOYSA-N",355503,NA,"PDBC28979","609247","Present",NA,NA
+"28980","7-(4-Methoxybenzyl)-4,4-dimethyl-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-methoxybenzyl)-4,4-dimethyl-6-phenyl-5,7-dihydro-4H...",NA,"CC1(CC2=C(N(C=C2C3=C1C=NO3)CC4=CC=C(C=C4)OC)C5=CC=CC=C5)C","ZUXOVRUANBMMIM-UHFFFAOYSA-N",60148275,NA,"PDBC28980","754081","Present",NA,NA
+"28981","7-(4-Methoxybenzyl)-5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-methoxybenzyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoin...",NA,"COC1=CC=C(C=C1)CN2C=C3CCC4=C(C3=C2)ON=C4","JRGCIIGJAKZUSO-UHFFFAOYSA-N",54613103,NA,"PDBC28981","748254","Present",NA,NA
+"28982","7-(4-Methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihyd...",NA,"COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5","JXWDOVBKIROIIP-UHFFFAOYSA-N",60148281,NA,"PDBC28982","754087","Present",NA,NA
+"28983","7-(4-Methoxybenzyl)-6-phenyl-5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-methoxybenzyl)-6-phenyl-5,7-dihydro-4H-isoxazolo[5,...",NA,"COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=C3ON=C5","IHQWCULBSHFACX-UHFFFAOYSA-N",54613109,NA,"PDBC28983","748261","Present",NA,NA
+"28984","7-(4-Methoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Methoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinoline-2,4-diamine",NA,"COC1=CC=C(C=C1)C2CCC3=NC4=NC(=NC(=C4C=C3C2)N)N","BFESUMGCEMLGDM-UHFFFAOYSA-N",401170,NA,"PDBC28984","714366","Present",NA,NA
+"28985","7-(4-Methoxyphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Methoxyphenyl)-6-phenyl-2,3,8,8a-tetrahydro-1H-indolizin-5-one",NA,"COC1=CC=C(C=C1)C2=C(C(=O)N3CCCC3C2)C4=CC=CC=C4","KQFPTEUZYOCIGQ-UHFFFAOYSA-N",23661578,NA,"PDBC28985","707904","Present",NA,NA
+"28986","7-(4-Methoxyphenyl)-8a,8b,9,13b-tetrahydro-5H-indeno[2,1-c]pyrrolo[3,4-a]carbazole-6,8(5bH,7H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(4-Methoxyphenyl)-9,13-diazahexacyclo[14.7.0.02,10.03,8.011,15.018,23]tricosa-2(10),3,5,7,18,20,22-heptaene-12,14-dione",NA,"COC1=CC=C(C=C1)N2C(=O)C3C4CC5=CC=CC=C5C4C6=C(C3C2=O)NC7=CC=CC=C76","NOUHXKFGLHBKDC-UHFFFAOYSA-N",395263,NA,"PDBC28986","699741","Present",NA,NA
+"28987","7-(4-Methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Methylphenyl)-5-oxo-2,3-dihydroimidazo[2,1-b][1,3]thiazine-6-carbonitrile",NA,"CC1=CC=C(C=C1)C2=C(C(=O)N3CCN=C3S2)C#N","JCYCAGRBYFGYNQ-UHFFFAOYSA-N",391999,NA,"PDBC28987","691793","Present",NA,NA
+"28988","7-(4-Nitrophenyl)(7H)triazolo[4,5-e]benzofurazan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5209272",NA,"C1=CC(=CC=C1N2N=C3C=CC4=NON=C4C3=N2)[N+](=O)[O-]","DTWCJQWJGNIOSC-UHFFFAOYSA-N",382091,NA,"PDBC28988","669450","Present",NA,NA
+"28989","7-(4-Nitrophenyl)-3-(4-chlorobenzyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazine-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-Chlorobenzyl)-7-(4-nitrophenyl)-4h-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,"C1=CC(=CC=C1CC2=NN=C3N(C2=O)N=C(S3)C4=CC=C(C=C4)[N+](=O)[O-])Cl","QIRWYWDEFVUGBH-UHFFFAOYSA-N",400061,NA,"PDBC28989","711467","Present",NA,NA
+"28990","7-(4-Nitrophenyl)-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Quinoxalinecarbonitrile, 7-(4-nitrophenyl)-3-[4-(4-nit...",NA,"C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C4=C([N+]3=O)C=CC(=C4)C5=CC=C(C=C5)[N+](=O)[O-])[O-])C#N","RTTAPOMHRJGSIR-UHFFFAOYSA-N",395038,NA,"PDBC28990","699222","Present",NA,NA
+"28991","7-(5-Diethylaminopentyloxy)-5-hydroxy-2-phenyl-4H-4-chromeno ne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(5-diethylaminopentyloxy)-5-hydroxy-2-phenyl-4H-4-chro...",NA,"CCN(CC)CCCCCOC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)O","VJHJZVCXVAREJT-UHFFFAOYSA-N",24205488,NA,"PDBC28991","736041","Present",NA,NA
+"28992","7-(6-Bromo-1H-benzimidazol-2-yl)-N-hydroxyheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KGEJYSFIEAQAKU-UHFFFAOYSA-N",NA,"C1=CC2=C(C=C1Br)NC(=N2)CCCCCCC(=O)NO","KGEJYSFIEAQAKU-UHFFFAOYSA-N",54613496,NA,"PDBC28992","751165","Present",NA,NA
+"28993","7-(9-Amino-4-methyl-4,8,10-triazabicyclo[4.4.0]deca-7,9,11-trien-7-yl)-4-methyl-4,8,10-triazabicyclo[4.4.0]deca-7,9,11-trien-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6'-dimethyl-5,5',6,6',7,7',8,8'-octahydro-4,4'-bipyrid...",NA,"CN1CCC2=C(C1)C(=NC(=N2)N)C3=NC(=NC4=C3CN(CC4)C)N","QDOFXHLKZYKCIA-UHFFFAOYSA-N",340848,NA,"PDBC28993","372037","Present",NA,NA
+"28994","7-(Acetylamino)-2-hydroxy-3-methyl[1,8]naphthyridine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Acetylamino)-2-hydroxy-3-methyl[1,8]naphthyridine-4-carboxylic acid",NA,"CC1=C(C2=C(NC1=O)N=C(C=C2)NC(=O)C)C(=O)O","QBFGBGUKUXBWOQ-UHFFFAOYSA-N",5466192,NA,"PDBC28994","680508","Present",NA,NA
+"28995","7-(Aminosulfonyl)-N-(3-amino-1H-1,2,4-triazol-5-yl)-6-chloro-2H-1,2,4-benzothiadiazine-3-carboxamide 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Amino-1H-1,2,4-triazol-3-yl)-6-chloro-1,1-dioxo-7-sulfamoyl-4H-1lambda6,2,4-benzothiadiazine-3-carboxamide",NA,"C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=C(N2)C(=O)NC3=NNC(=N3)N","RKUMZTYXNOVPNU-UHFFFAOYSA-N",3004318,NA,"PDBC28995","644779","Present",NA,NA
+"28996","7-(Benzenesulfonyl)-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(phenylsulfonyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihydr...",NA,"COC1=CC(=CC(=C1OC)OC)C2=C3CCC4=C(C3=CN2S(=O)(=O)C5=CC=CC=C5)N=C(S4)N","DKXPWQAVAWSGSO-UHFFFAOYSA-N",155805045,NA,"PDBC28996","766949","Present",NA,NA
+"28997","7-(Benzyloxy)-2-nonyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Benzyloxy)-2-nonyl-4H-chromen-4-one",NA,"CCCCCCCCCC1=CC(=O)C2=C(O1)C=C(C=C2)OCC3=CC=CC=C3","VTWSQHUFJAHKDE-UHFFFAOYSA-N",365038,NA,"PDBC28997","631973","Present",NA,NA
+"28998","7-(Benzyloxy)-6-methoxy-1-isoquinolinecarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Benzyloxy)-6-methoxy-1-isoquinolinecarbonitrile",NA,"COC1=C(C=C2C(=C1)C=CN=C2C#N)OCC3=CC=CC=C3","OSBXRKKQXZDJOA-UHFFFAOYSA-N",371220,NA,"PDBC28998","645269","Present",NA,NA
+"28999","7-(Benzyloxy)-8,8-dimethylbicyclo[3.2.1]octan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"endo-7-Benzyloxy-8,8-dimethylbicyclo[3.2.1]octan-2-one",NA,"CC1(C2CCC(=O)C1C(C2)OCC3=CC=CC=C3)C","AMTBSYPHKIQANQ-UHFFFAOYSA-N",376777,NA,"PDBC28999","657837","Present",NA,NA
+"29000","7-(Benzylthio)-1,3,4-tetrahydro-2,4-dithioxopyrido[2,3-d]pyr imidine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7 - (Benzylthio)-1,2,3,4-tetrahydro-2,4-dithioxopyrido[2...",NA,"C1=CC=C(C=C1)CSC2=NC3=C(C=C2C#N)C(=S)NC(=S)N3","DMDDVIJZYLWMAA-UHFFFAOYSA-N",24204326,NA,"PDBC29000","731368","Present",NA,NA
+"29001","7-(Bis(2-hydroxyethyl)amino)-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Bis(2-hydroxyethyl)amino)-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,"C1=CC=C(C=C1)N2C3=C(C(=NC=N3)N(CCO)CCO)SC2=S","HLZOKJVKCICYJA-UHFFFAOYSA-N",373695,NA,"PDBC29001","650587","Present",NA,NA
+"29002","7-(Bis(2-hydroxyethyl)amino)-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Bis(2-hydroxyethyl)amino)-5-methyl-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,"CC1=NC2=C(C(=N1)N(CCO)CCO)SC(=S)N2C3=CC=CC=C3","BMDMTDOMLKOEJL-UHFFFAOYSA-N",374357,NA,"PDBC29002","652023","Present",NA,NA
+"29003","7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Bromomethyl)-1,3,4,7,8-pentachloro-3-methyl-1,5-octadiene",NA,"CC(C=CCl)(C(C=CC(CCl)(CBr)Cl)Cl)Cl","HCTBSUXDIUTHQM-MQQKCMAXSA-N",5387751,NA,"PDBC29003","626778","Present",NA,NA
+"29004","7-(Bromomethyl)-2h-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000601",NA,"C1=CC(=CC2=C1C=CC(=O)O2)CBr","PIRJLYFMCACMRZ-UHFFFAOYSA-N",264119,NA,"PDBC29004","99027","Present",NA,NA
+"29005","7-(Chloromethyl)-3,4,10-trimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Chloromethyl)-3,4,10-trimethyl-2H,6H-pyrano[3,2-g]chromene-2,6-dione",NA,"CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C(=CO3)CCl)C)C","KWEJDYVGJIICCR-UHFFFAOYSA-N",371317,NA,"PDBC29005","645391","Present",NA,NA
+"29006","7-(Diethylamino)-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Diethylamino)-2-imino-N-(2-methoxyphenyl)chromene-3-carboxamide",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=C3OC","JSCXZPKHBWFCGE-UHFFFAOYSA-N",399134,NA,"PDBC29006","709553","Present",NA,NA
+"29007","7-(Diethylamino)-2-imino-N-phenyl-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_000238",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=C3","ZQRXXHZOQZEPLY-UHFFFAOYSA-N",389245,NA,"PDBC29007","684998","Present",NA,NA
+"29008","7-(Diethylamino)-2-imino-N-pyridin-2-ylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Diethylamino)-2-imino-N-pyridin-2-ylchromene-3-carboxamide",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=N3","QXYHAXQBJNDURN-UHFFFAOYSA-N",395960,NA,"PDBC29008","701084","Present",NA,NA
+"29009","7-(Diethylamino)-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]-3,4-dihydrochromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Diethylamino-3-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]chroman-2-one",NA,"CCN(CC)C1=CC2=C(CC(C(=O)O2)C3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C=C1","RFEFWUFWVXXAPJ-UHFFFAOYSA-N",397583,NA,"PDBC29009","705903","Present",NA,NA
+"29010","7-(Diethylaminomethyl)quinolin-8-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Diethylaminomethyl)quinolin-8-ol hydrochloride",NA,"CCN(CC)CC1=C(C2=C(C=CC=N2)C=C1)O.Cl","WPUWENJJSQAQDF-UHFFFAOYSA-N",392861,NA,"PDBC29010","693872","Present",NA,NA
+"29011","7-(Diisopropylamino)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-7-(1,1...",NA,"CC(C)N(C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3=NC=C(C=C3)N4CCN(CC4)C)F)C(C)C","DNKDYDFQJRKRIG-UHFFFAOYSA-N",384542,NA,"PDBC29011","674550","Present",NA,NA
+"29012","7-(Dimethylamino)-3,4,13-trimethoxy-7,8-dihydro-5H-[1,3]dioxolo[4,5-h]isoindolo[1,2-b][3]benzazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(Dimethylamino)-7,8,21-trimethoxy-17,19-dioxa-11-azapentacyclo[12.7.0.03,11.04,9.016,20]henicosa-1(21),2,4(9),5,7,14,16(20)-heptaen-10-one",NA,"CN(C)C1CC2=CC3=C(C(=C2C=C4N1C(=O)C5=C4C=CC(=C5OC)OC)OC)OCO3","RTFMKOOQVKWDHF-UHFFFAOYSA-N",376411,NA,"PDBC29012","657325","Present",NA,NA
+"29013","7-(Dimethylamino)-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Dimethylamino)-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol",NA,"CN(C)C1=C2C(N3C4=CC=CC=C4N=C3SC2=NC(=N1)SC)O","QSYGKQSEIRIVLK-UHFFFAOYSA-N",394383,NA,"PDBC29013","697783","Present",NA,NA
+"29014","7-(Dipropylamino)-6-fluoro-1-(5-(4-methyl-1-piperazinyl)-2-pyridinyl)-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(4-Methyl-1-piperazinyl)-2-pyridyl]-6-fluoro-(1,1-d...",NA,"CCCN(CCC)C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)O)C3=NC=C(C=C3)N4CCN(CC4)C)F","LXRQSMABQYWEAA-UHFFFAOYSA-N",384543,NA,"PDBC29014","674551","Present",NA,NA
+"29015","7-(Ethylthio)-1,3,4,-tetrahydro-5-(3,4-dimethoxyphenyl)-2, 4-dithioxopyrido[2,3-d]pyrimidin-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Ethylthio)-1,2,3,4,-tetrahydro-5-(3,4-dimethoxyphenyl...",NA,"CCSC1=NC2=C(C(=C1C#N)C3=CC(=C(C=C3)OC)OC)C(=S)NC(=S)N2","RQFPEWRZUQRIFJ-UHFFFAOYSA-N",24203989,NA,"PDBC29015","730310","Present",NA,NA
+"29016","7-(Furan-2-yl)-4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Benzyloxymethyl-7-furan-2-yl-4-me thoxy-5H-pyrrolo[3,2...",NA,"COC1=NC=NC2=C1N(C=C2C3=CC=CO3)COCC4=CC=CC=C4","PRKFETBBZOULQW-UHFFFAOYSA-N",155812934,NA,"PDBC29016","754809","Present",NA,NA
+"29017","7-(Hydroxy(oxido)amino)-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Hydroxy(oxido)amino)-2-(5-(phenoxymethyl)-1H-indol-3-yl)-2,4-dihydrofuro[2,3-b]quinoxalin-3-ol",NA,"C1=CC=C(C=C1)OCC2=CC3=C(C=C2)NC=C3C4C(=O)C5=C(O4)NC6=C(N5)C=CC(=C6)[N+](=O)[O-]","KECPYETZFMNBAJ-UHFFFAOYSA-N",4066133,NA,"PDBC29017","372294","Present",NA,NA
+"29018","7-(Hydroxymethyl)bicyclo[2.2.1]hept-2-en-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-one",NA,"C1C2C=CC(C2CO)C1=O","XSHUVUHFTUELGA-UHFFFAOYSA-N",363383,NA,"PDBC29018","628265","Present",NA,NA
+"29019","7-(Methoxymethyl)-2,5,6-trimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Methoxymethyl)-2,5,6-trimethylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one",NA,"CC1=C(N(C2=C1C(=O)OC(=N2)C)COC)C","QXXBQFYNTVIFBT-UHFFFAOYSA-N",384434,NA,"PDBC29019","674211","Present",NA,NA
+"29020","7-(Methoxymethyl)-5,6-dimethyl-1H-pyrrolo[2,3-d][1,3]oxazine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Methoxymethyl)-5,6-dimethyl-1H-pyrrolo[2,3-d][1,3]oxazine-2,4-dione",NA,"CC1=C(N(C2=C1C(=O)OC(=O)N2)COC)C","VTGUOTMCZGRNIX-UHFFFAOYSA-N",384432,NA,"PDBC29020","674209","Present",NA,NA
+"29021","7-(Methylthio)-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Methylthio)-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,"CSC1C2=C(NC=N1)N(C(=S)S2)C3=CC=CC=C3","SBHBUSYDLGLOOS-UHFFFAOYSA-N",373691,NA,"PDBC29021","650583","Present",NA,NA
+"29022","7-(Morpholin-4-ylmethyl)quinolin-8-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QMOH",NA,"C1COCCN1CC2=C(C3=C(C=CC=N3)C=C2)O.Cl","OMGKJDSTLJXRJC-UHFFFAOYSA-N",378889,NA,"PDBC29022","662298","Present",NA,NA
+"29023","7-(Phenyl(4-toluidino)methyl)-8-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(phenyl(p-tolylamino)methyl)quinolin-8-ol",NA,"CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O","HUMXPASVXGPBQJ-UHFFFAOYSA-N",256755,NA,"PDBC29023","84093","Present",NA,NA
+"29024","7-(Phenylsulfonyl)benzimidazo[2',1':6,1]pyrido[2,3-b]quinoxalin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-(Benzenesulfonyl)-2,9,14,21-tetrazapentacyclo[11.8.0.02,10.03,8.015,20]henicosa-1(21),3,5,7,9,11,13,15,17,19-decaen-11-amine",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=C(C3=NC4=CC=CC=C4N3C5=NC6=CC=CC=C6N=C25)N","QMMXPFLPMUAXCB-UHFFFAOYSA-N",372780,NA,"PDBC29024","648404","Present",NA,NA
+"29025","7-(Piperidin-1-ylmethyl)quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DNDI1416985",NA,"C1CCN(CC1)CC2=C(C3=C(C=CC=N3)C=C2)O","WXMFPLZGDXLEMN-UHFFFAOYSA-N",245742,NA,"PDBC29025","57969","Present",NA,NA
+"29026","7-(Prop-2-ynoxymethyl)purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-7-(Proparglyoxymethyl)purine",NA,"C#CCOCN1C=NC2=NC=NC(=C21)N","PVBNIWFJROZEBJ-UHFFFAOYSA-N",365491,NA,"PDBC29026","633125","Present",NA,NA
+"29027","7-(Pyrrolidin-1-ylmethyl)quinolin-8-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 7-[(1-pyrrolidinyl)methyl]-, dihydrochloride",NA,"C1CCN(C1)CC2=C(C3=C(C=CC=N3)C=C2)O.Cl","LLLRYTCTMPBCOR-UHFFFAOYSA-N",392859,NA,"PDBC29027","693871","Present",NA,NA
+"29028","7-(Trifluoromethyl)-1,2,3-benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Trifluoromethyl)-1,2,3-benzodithiazol-1-ium;chloride",NA,"C1=CC2=NS[S+]=C2C(=C1)C(F)(F)F.[Cl-]","YJTFWVZIHPWDBV-UHFFFAOYSA-M",359783,NA,"PDBC29028","621348","Present",NA,NA
+"29029","7-(Trifluoromethyl)-3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Trifluoromethyl)-3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylic acid",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O","PPQJBLNFEBMMEK-UHFFFAOYSA-N",389431,NA,"PDBC29029","685513","Present",NA,NA
+"29030","7-(Trifluoromethyl)-3-[(3,4-dichlorophenyl)amino]quinoxaline-2-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(3,4-dichlorophenyl)amino]-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC(=C(C=C3)Cl)Cl","GKILVNOPGCXXDI-UHFFFAOYSA-N",387133,NA,"PDBC29030","680549","Present",NA,NA
+"29031","7-(Trifluoromethyl)-3-[(3,4-dimethoxyphenyl)amino]quinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,4-Dimethoxyphenyl)amino]-7-(trifluoromethyl)quinoxaline-2-carboxylic acid",NA,"COC1=C(C=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)O)OC","AEFZILOFLIFSQA-UHFFFAOYSA-N",386962,NA,"PDBC29031","680189","Present",NA,NA
+"29032","7-(Trifluoromethyl)-3H-1,2,3-benzodithiazole 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Trifluoromethyl)-3H-1,2,3-benzodithiazole 2-oxide",NA,"C1=CC(=C2C(=C1)NS(=O)S2)C(F)(F)F","XVPTZYWARIRDEB-UHFFFAOYSA-N",367354,NA,"PDBC29032","636991","Present",NA,NA
+"29033","7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,"COC1=CC(=CC(=C1OC)OC)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F","BQSPXLFDCJTCES-UHFFFAOYSA-N",367578,NA,"PDBC29033","637411","Present",NA,NA
+"29034","7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4","IMCLBXOFMFYEDT-UHFFFAOYSA-N",400209,NA,"PDBC29034","711727","Present",NA,NA
+"29035","7-(alpha-Anilino-P-nitrobenzyl)-8-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(.ALPHA.-ANILINO-P-NITROBENZYL)-8-QUINOLINOL",NA,"C1=CC=C(C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])C3=C(C4=C(C=CC=N4)C=C3)O","IEHZRRMDWJJZBT-UHFFFAOYSA-N",219565,NA,"PDBC29035","1013","Present",NA,NA
+"29036","7-(beta-D-Ribofuranosyl)-4-aminothieno[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(.beta.-D-ribofuranosyl)-4-aminothieno[3,4-d]pyrimidine",NA,"C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)N=CN=C2N","VTCXCOOTIXNZFE-UHFFFAOYSA-N",373978,NA,"PDBC29036","651010","Present",NA,NA
+"29037","7-Acetamido-1,2,4-benzotriazin-3-amine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Acetamido-1,2,4-benzotriazin-3-amine 1-oxide",NA,"CC(=O)N=C1C=CC2=NC(=NN(C2=C1)O)N","SPPUUZDXDMCILQ-UHFFFAOYSA-N",494410,NA,"PDBC29037","623602","Present",NA,NA
+"29038","7-Acetyl-4-hydroxy-3-imino-5-(p-tolyl)-1,2-dihydropyrazolo[4,3-c]pyridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Acetyl-3-amino-5-(p-tolyl)-1,2-dihydropyrazolo[4,5-c]pyridine-4,6-dione",NA,"CC1=CC=C(C=C1)N2C(=C(C3=C(C2=O)C(=NN3)N)C(=O)C)O","CDEXRXPTPZXSKI-UHFFFAOYSA-N",135485260,NA,"PDBC29038","692005","Present",NA,NA
+"29039","7-Acetyl-5-(4-chlorophenyl)-3-imino-1,2,3,5-tetrahydro-4H-pyrazolo[4,3-c]pyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Acetyl-5-(4-chlorophenyl)-3-imino-1,2,3,5-tetrahydro-4H-pyrazolo[4,3-c]pyridin-4-one",NA,"CC(=O)C1=CN(C(=O)C2=C1NN=C2N)C3=CC=C(C=C3)Cl","GTUBFTHBTJTYIJ-UHFFFAOYSA-N",392163,NA,"PDBC29039","692043","Present",NA,NA
+"29040","7-Acetyl-6-hydroxy-3-methyl-benzofuran-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-acetyl-6-hydroxy-3-methylbenzofuran carboxylic acid",NA,"CC1=C(OC2=C1C=CC(=C2C(=O)C)O)C(=O)O","AQMCATUUSZRBCB-UHFFFAOYSA-N",12334349,NA,"PDBC29040","726125","Present",NA,NA
+"29041","7-Allyloxy-4,8-dimethylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Allyloxy-4,8-dimethylcoumarin",NA,"CC1=CC(=O)OC2=C1C=CC(=C2C)OCC=C","CWBNOQSQEHMTNZ-UHFFFAOYSA-N",96225,NA,"PDBC29041","60417","Present",NA,NA
+"29042","7-Amino-1,8-naphthyridine-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YKWBJEGNZIUWLI-UHFFFAOYSA-N",NA,"C1=CC(=NC2=C1C(=CC(=O)N2)O)N","YKWBJEGNZIUWLI-UHFFFAOYSA-N",54680447,NA,"PDBC29042","680514","Present",NA,NA
+"29043","7-Amino-1-fluorofluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-1-fluoro-9h-fluoren-9-one",NA,"C1=CC2=C(C(=C1)F)C(=O)C3=C2C=CC(=C3)N","OCMPJISNJWIRHA-UHFFFAOYSA-N",284793,NA,"PDBC29043","141057","Present",NA,NA
+"29044","7-Amino-2-(5-bromothiophen-2-yl)-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-2-(5-bromo-2-thienyl)-1h-1,8-naphthyridin-4-one",NA,"C1=CC(=NC2=C1C(=O)C=C(N2)C3=CC=C(S3)Br)N","USCOXGKLCOOGGG-UHFFFAOYSA-N",396018,NA,"PDBC29044","701193","Present",NA,NA
+"29045","7-Amino-2-thiophen-2-yl-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-2-(2-thienyl)-1h-1,8-naphthyridin-4-one",NA,"C1=CSC(=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)N","HSTLNPRJMWUBDQ-UHFFFAOYSA-N",396019,NA,"PDBC29045","701194","Present",NA,NA
+"29046","7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid diphenylmethyl ester hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-3-chloromethyl-3-cephem-4-carboxylic acid diphen...",NA,"C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)CCl.Cl","HDYOATPRFNMLSX-KYSFMIDTSA-N",13239628,NA,"PDBC29046","736204","Present",NA,NA
+"29047","7-Amino-3-methyl-2-quinoxalinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-3-methyl-2-quinoxalinol",NA,"CC1=NC2=C(C=C(C=C2)N)NC1=O","DFHAAEQYIMWJIZ-UHFFFAOYSA-N",371851,NA,"PDBC29047","646371","Present",NA,NA
+"29048","7-Amino-3-methyl-4-methylsulfanyl-6-oxo-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-3-methyl-4-methylsulfanyl-6-oxo-1-phenyl-pyrazolo[3,4-b]pyridine-5-carbonitrile",NA,"CC1=NN(C2=C1C(=C(C(=O)N2N)C#N)SC)C3=CC=CC=C3","ASRNNRGSCLUAKL-UHFFFAOYSA-N",392145,NA,"PDBC29048","692025","Present",NA,NA
+"29049","7-Amino-3-methyl-4-methylsulfanyl-6-oxo-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-3-methyl-4-methylsulfanyl-6-oxo-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile",NA,"CC1=C2C(=C(C(=O)N(C2=NN1)N)C#N)SC","AQMIKSNMUHNAAO-UHFFFAOYSA-N",392147,NA,"PDBC29049","692027","Present",NA,NA
+"29050","7-Amino-3-methyl[1,8]naphthyridin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-35827",NA,"CC1=CC2=C(NC1=O)N=C(C=C2)N","SOGDUVFLHGEYGM-UHFFFAOYSA-N",5466188,NA,"PDBC29050","680468","Present",NA,NA
+"29051","7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,"C1=CC=C(C=C1)N2C3=NC=NC(=C3SC2=S)N","UBPKNSFYSVPNCV-UHFFFAOYSA-N",373694,NA,"PDBC29051","650586","Present",NA,NA
+"29052","7-Amino-4,5a-bis(diethoxymethyl)-5a,6a,7,9a-tetrahydroindolo[3,4-fg][1,3]benzoxazole-5,8(4H,6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-8,10-bis(diethoxymethyl)-3-oxa-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),11,13-triene-4,9-dione",NA,"CCOC(C12CC3C(C4=C1C(=CC=C4)N(C2=O)C(OCC)OCC)OC(=O)N3N)OCC","ZWYGWIYEIBJJQL-UHFFFAOYSA-N",376966,NA,"PDBC29052","658166","Present",NA,NA
+"29053","7-Amino-4,6-dimethyl-quinolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 03603252",NA,"CC1=CC2=C(C=C1N)NC(=O)C=C2C","ABQYXNJQAUIVJZ-UHFFFAOYSA-N",395570,NA,"PDBC29053","700276","Present",NA,NA
+"29054","7-Amino-4-isopropyl-2-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-4-isopropyl-2-quinolinol",NA,"CC(C)C1=CC(=O)NC2=C1C=CC(=C2)N","SVDMFRWGUCQNBQ-UHFFFAOYSA-N",395571,NA,"PDBC29054","700277","Present",NA,NA
+"29055","7-Amino-5-(4-chlorophenyl)-3-phenyl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-amino-5-(4-chlorophenyl)-3-phenyl-thiazolo[4,5-d]pyrim...",NA,"C1=CC=C(C=C1)N2C3=NC(=NC(=C3SC2=S)N)C4=CC=C(C=C4)Cl","AJTSSPAMBYGUDE-UHFFFAOYSA-N",155810499,NA,"PDBC29055","781114","Present",NA,NA
+"29056","7-Amino-5-bromo-3-methyl-3,4-dihydro[1,6]naphthyridin-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-5-bromo-3-methyl-3,4-dihydro[1,6]naphthyridin-2(1H)-one",NA,"CC1CC2=C(N=C(C=C2NC1=O)N)Br","VMPCGKDNTAVXPD-UHFFFAOYSA-N",381861,NA,"PDBC29056","669031","Present",NA,NA
+"29057","7-Amino-6,8-bis(4-methoxyphenyl)-5-pentyl-2a,9-dihydro-1H-benzo[cd]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-6,8-bis(4-methoxyphenyl)-5-pentyl-2a,9-dihydro-1H-benzo[cd]indol-2-one",NA,"CCCCCC1=C2C3C(C=C1)C(=O)NC3=C(C(=C2C4=CC=C(C=C4)OC)N)C5=CC=C(C=C5)OC","JYGMVYPLYLYVJB-UHFFFAOYSA-N",398183,NA,"PDBC29057","707778","Present",NA,NA
+"29058","7-Amino-6-(4-methoxyphenyl)cyclopenta[b]pyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-6-(4-methoxyphenyl)cyclopenta[b]pyridin-5-one",NA,"COC1=CC=C(C=C1)C2=C(C3=C(C2=O)C=CC=N3)N","CEBWOZPGWSPCME-UHFFFAOYSA-N",389552,NA,"PDBC29058","685857","Present",NA,NA
+"29059","7-Amino-6-chloro-5,8-dioxonaphthalene-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-6-chloro-5,8-dioxonaphthalene-2-sulfonamide",NA,"C1=CC2=C(C=C1S(=O)(=O)N)C(=O)C(=C(C2=O)Cl)N","ICJBRQPJQVOTDH-UHFFFAOYSA-N",240739,NA,"PDBC29059","47384","Present",NA,NA
+"29060","7-Amino-6-methoxy-2-methyl-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,8-Quinolinedione, 7-amino-6-methoxy-2-methyl-",NA,"CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)N)OC","FKAAKWCKLUDXOB-UHFFFAOYSA-N",280616,NA,"PDBC29060","132493","Present",NA,NA
+"29061","7-Amino-6-methyl-4-phenyl-2-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Amino-6-methyl-4-phenyl-2-quinolinol",NA,"CC1=CC2=C(C=C1N)NC(=O)C=C2C3=CC=CC=C3","CBNMAZBBRDEJOF-UHFFFAOYSA-N",395572,NA,"PDBC29061","700278","Present",NA,NA
+"29062","7-Aminoquinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC76885",NA,"C1=CC2=C(C(=O)C(=CC2=O)N)N=C1","QHJBNEFEIDZZCN-UHFFFAOYSA-N",253688,NA,"PDBC29062","76885","Present",NA,NA
+"29063","7-Aminothiadiazolo[5,4-d]pyrimidin-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-7-amino(1,2,3)thiadiazole[5,4-d]pyrimidine",NA,"C12=C(NC(=O)N=C1SN=N2)N","RAHVCPJGTSUPLH-UHFFFAOYSA-N",135420622,NA,"PDBC29063","675278","Present",NA,NA
+"29064","7-Aminothiadiazolo[5,4-d]pyrimidine-5-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Aminothiadiazolo[5,4-d]pyrimidine-5-thiol",NA,"C12=C(NC(=S)N=C1SN=N2)N","PMUWYAUFNZXJPC-UHFFFAOYSA-N",135420487,NA,"PDBC29064","674553","Present",NA,NA
+"29065","7-Angelyl-1-methylene-pyrrolizidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Angelyl-1-methylene-pyrrolizidine",NA,"CC=C(C)C(=O)OC1CCN2C1C(=C)CC2","DUWDHZAOPSTHFG-LYWJNLOJSA-N",5468382,NA,"PDBC29065","669362","Present",NA,NA
+"29066","7-Anilino-2,5-diimino-3-[(E)-phenylazo]-1,4-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Anilino-2,5-diimino-3-[(E)-phenylazo]-1,4-dihydropyrazolo[1,5-a]pyrimidine-6-carbonitrile",NA,"C1=CC=C(C=C1)NC2=C(C(=NC3=C(C(=NN32)N)N=NC4=CC=CC=C4)N)C#N","HXZORFDKKMYCHG-UHFFFAOYSA-N",385326,NA,"PDBC29066","676443","Present",NA,NA
+"29067","7-Anilino-3-methyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Anilino-3-methyl-5-(propylamino)-1,4-thiazepine-6-carbonitrile",NA,"CCCN=C1C(=C(SC=C(N1)C)NC2=CC=CC=C2)C#N","HIXPWLZAXVPZEU-UHFFFAOYSA-N",135450458,NA,"PDBC29067","693233","Present",NA,NA
+"29068","7-Anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Anilino-5-(benzylamino)-3-phenyl-1,4-thiazepine-6-carbonitrile",NA,"C1=CC=C(C=C1)CN=C2C(=C(SC=C(N2)C3=CC=CC=C3)NC4=CC=CC=C4)C#N","CIEQHAQRCYREHQ-UHFFFAOYSA-N",135408097,NA,"PDBC29068","693234","Present",NA,NA
+"29069","7-Aza-phomopsolide E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-aza-phomopsolide E",NA,"CC=C(C)C(=O)OC1C=CC(=O)OC1CNC(=O)C(C)O","XZYKRDKKCJVLNQ-SPJFXFQZSA-N",45028012,NA,"PDBC29069","740607","Present",NA,NA
+"29070","7-Azido-3-phenyl-thiazolo[4,5-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Azido-3-phenyl-thiazolo[4,5-d]pyrimidine-2-thione",NA,"C1=CC=C(C=C1)N2C3=NC=NC(=C3SC2=S)N=[N+]=[N-]","WTYLMBWFTMMHLP-UHFFFAOYSA-N",373693,NA,"PDBC29070","650585","Present",NA,NA
+"29071","7-Benzoyl-1,2,4,5,5a,6,7,8,9,9a-decahydrobenzo[c]azepin-3-one;2-benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzoyl-1,2,4,5,5a,6,7,8,9,9a-decahydrobenzo[c]azepin-3-one;2-benzoyl-3,4,4a,5,7,8,9,9a-octahydro-1H-pyrido[3,4-d]azepin-6-one",NA,"C1CC2CNC(=O)CCC2CC1C(=O)C3=CC=CC=C3.C1CNC(=O)CC2C1CN(CC2)C(=O)C3=CC=CC=C3","JEYDSZDVQGNSTA-UHFFFAOYSA-N",359206,NA,"PDBC29071","619916","Present",NA,NA
+"29072","7-Benzoyl-1-(4-methylphenyl)-1H,4-a]benzimidaz ole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzoyl-1-(4-methylphenyl)-1H,3H-thiazolo[3,4-a]benzim...",NA,"CC1=CC=C(C=C1)C2N3C(=NC4=C3C=C(C=C4)C(=O)C5=CC=CC=C5)CS2","QSGOLQKUCLLWQA-UHFFFAOYSA-N",24202972,NA,"PDBC29072","726409","Present",NA,NA
+"29073","7-Benzoyl-11,12-dimethoxy-8,9-dihydro-6H-benzo[de][1,3]benzodioxolo[4,5-g]quinoline-6a(7H)-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-Benzoyl-18,19-dimethoxy-4,6-dioxa-13-azapentacyclo[10.7.1.02,10.03,7.016,20]icosa-1(20),2(10),3(7),8,16,18-hexaene-12-carbonitrile",NA,"COC1=C(C2=C3C(=C1)CCN(C3(CC4=C2C5=C(C=C4)OCO5)C#N)C(=O)C6=CC=CC=C6)OC","VRXSSIKSYXDIOR-UHFFFAOYSA-N",363095,NA,"PDBC29073","627665","Present",NA,NA
+"29074","7-Benzoyl-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzoyl-2,3-bis(trifluoromethyl)-7-azabicyclo[2.2.1]hept-2-ene",NA,"C1CC2C(=C(C1N2C(=O)C3=CC=CC=C3)C(F)(F)F)C(F)(F)F","MOQUFGYMVKYBAL-UHFFFAOYSA-N",361849,NA,"PDBC29074","625170","Present",NA,NA
+"29075","7-Benzoyl-3-chloroindolizine-1,2-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 01953563",NA,"COC(=O)C1=C2C=C(C=CN2C(=C1C(=O)OC)Cl)C(=O)C3=CC=CC=C3","PSYFVGWQOHNAMX-UHFFFAOYSA-N",376112,NA,"PDBC29075","656596","Present",NA,NA
+"29076","7-Benzoyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzoyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-ol",NA,"C1=CC=C(C=C1)C2=CN(C3=C2C(=O)NC=N3)C(=O)C4=CC=CC=C4","YDBFIGPAHUHCLW-UHFFFAOYSA-N",135489891,NA,"PDBC29076","691987","Present",NA,NA
+"29077","7-Benzoyl-8,9-dihydro-6H-benzo[de][1,3]benzodioxolo[4,5-g]quinoline-6a(7H)-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzoyl-8,9-dihydro-6H-benzo[de][1,3]benzodioxolo[4,5-g]quinoline-6a(7H)-carbonitrile",NA,"C1CN(C2(CC3=C(C4=CC=CC1=C42)C5=C(C=C3)OCO5)C#N)C(=O)C6=CC=CC=C6","GDXKDUZGELXZPM-UHFFFAOYSA-N",363318,NA,"PDBC29077","628138","Present",NA,NA
+"29078","7-Benzyl-2-(4-phenylphenyl)-1H-indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-2-(4-phenylphenyl)-1H-indole",NA,"C1=CC=C(C=C1)CC2=CC=CC3=C2NC(=C3)C4=CC=C(C=C4)C5=CC=CC=C5","HMRLZJNBLDBBRV-UHFFFAOYSA-N",392906,NA,"PDBC29078","694088","Present",NA,NA
+"29079","7-Benzyl-2-methyl-5,5-dioxo-3,4,6,7,10,11,12,12a-octahydropyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-2-methylhexahydro-6H-pyrrolo[1,2-e][1,2,5,8]thiatriazecine-1,8(2H,7H)-dione 5,5-dioxide",NA,"CN1CCS(=O)(=O)NC(C(=O)N2CCCC2C1=O)CC3=CC=CC=C3","HNKPSCFTSSIEQN-UHFFFAOYSA-N",370123,NA,"PDBC29079","642715","Present",NA,NA
+"29080","7-Benzyl-3,4-dimethyl-3H-[1,4]diazepino[6,5-c]quinoline-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-3,4-dihydro-3,4-dimethyk-2H-1,4-diazepino[6,5-c...",NA,"CC1C(=O)N=C2C3=CC=CC=C3N(C=C2C(=O)N1C)CC4=CC=CC=C4","XTUHZAUWTILMIV-UHFFFAOYSA-N",363839,NA,"PDBC29080","629105","Present",NA,NA
+"29081","7-Benzyl-3-(2,5-diphenylpyrazol-3-yl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-3-(2,5-diphenylpyrazol-3-yl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one",NA,"C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)C6=CC(=NN6C7=CC=CC=C7)C8=CC=CC=C8","DWTPZIGMZMROQS-UHFFFAOYSA-N",45028575,NA,"PDBC29081","743385","Present",NA,NA
+"29082","7-Benzyl-3-(3-phenyl-1,2-oxazol-5-yl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-3-(3-phenyl-1,2-oxazol-5-yl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one",NA,"C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)C6=CC(=NO6)C7=CC=CC=C7","LHDRUTFDCQCSQE-UHFFFAOYSA-N",45028576,NA,"PDBC29082","743386","Present",NA,NA
+"29083","7-Benzyl-3-(4-bromophenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-3-(4-bromophenyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one",NA,"C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)C6=CC=C(C=C6)Br","SLJIYVZAJGVWTF-UHFFFAOYSA-N",45028599,NA,"PDBC29083","743479","Present",NA,NA
+"29084","7-Benzyl-3-(chloromethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-3-(chloromethyl)-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one",NA,"C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)CCl","OOCGLUJSCXNCAX-UHFFFAOYSA-N",45028602,NA,"PDBC29084","743482","Present",NA,NA
+"29085","7-Benzyl-3-[(E)-3-oxo-3-phenylprop-1-enyl]-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-3-[(E)-3-oxo-3-phenylprop-1-enyl]-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-8-one",NA,"C1CCC2=C(C1)C3=C(S2)N4C(=NN=C4N(C3=O)CC5=CC=CC=C5)C=CC(=O)C6=CC=CC=C6","PERWQESDYTYKHP-FOCLMDBBSA-N",45028585,NA,"PDBC29085","743396","Present",NA,NA
+"29086","7-Benzyl-5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-benzyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,"C1CC2=C(C3=CN(C=C31)CC4=CC=CC=C4)ON=C2","FCEPTYLBEZWNAC-UHFFFAOYSA-N",54613102,NA,"PDBC29086","748253","Present",NA,NA
+"29087","7-Benzyl-5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-5-methyl-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidine",NA,"CC1=CN(C2=C1C(=NC(=N2)SC)SC)CC3=CC=CC=C3","SOEUNYCRNHLSCE-UHFFFAOYSA-N",358958,NA,"PDBC29087","619125","Present",NA,NA
+"29088","7-Benzyl-6,7-dihydro-2,3,4,5-tetrathia-7-aza-1H-cyclopenta[a]pentalene-1,6-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-3,4,10,11-tetrathia-7-azatricyclo[6.3.0.02,6]undeca-1(8),2(6)-diene-5,9-dithione",NA,"C1=CC=C(C=C1)CN2C3=C(C4=C2C(=S)SS4)SSC3=S","FJTJYWDXXQALAD-UHFFFAOYSA-N",402775,NA,"PDBC29088","716982","Present",NA,NA
+"29089","7-Benzyl-6,8-dibromo-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-benzyl-6,8-dibromo-5,7-dihydro-4H-[1,3]thiazolo[4,5-e]...",NA,"C1CC2=C(C3=C(N(C(=C31)Br)CC4=CC=CC=C4)Br)N=C(S2)N","KWZXCRJDJIDXDP-UHFFFAOYSA-N",155805050,NA,"PDBC29089","766941","Present",NA,NA
+"29090","7-Benzyl-6-phenyl-5,4-e]isoindole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-benzyl-6-phenyl-5,7-dihydro-4H-isoxazolo[5,4-e]isoindole",NA,"C1CC2=C(N(C=C2C3=C1C=NO3)CC4=CC=CC=C4)C5=CC=CC=C5","JCSOLOWWVQJVRI-UHFFFAOYSA-N",54613108,NA,"PDBC29090","748260","Present",NA,NA
+"29091","7-Benzyl-8-chloro-1,2,3,6-tetrahydro-as-indacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-8-chloro-1,2,3,6-tetrahydro-as-indacene",NA,"C1CC2=C(C1)C3=C(CC(=C3Cl)CC4=CC=CC=C4)C=C2","BXCOOJFVUSXPFB-UHFFFAOYSA-N",385724,NA,"PDBC29091","677070","Present",NA,NA
+"29092","7-Benzyloxy-3-methyl-3-methylsulfanyl-5-nitro-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyloxy-3-methyl-3-methylsulfanyl-5-nitro-indolin-2-one",NA,"CC1(C2=C(C(=CC(=C2)[N+](=O)[O-])OCC3=CC=CC=C3)NC1=O)SC","GILSTAGPKOKDLC-UHFFFAOYSA-N",396961,NA,"PDBC29092","704198","Present",NA,NA
+"29093","7-Benzyloxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline; formic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyloxy-6-methoxy-1,2,3,4-tetrahydroisoquinoline; formic acid",NA,"COC1=C(C=C2CNCCC2=C1)OCC3=CC=CC=C3.C(=O)O","BYPPXCJQJMNKEE-UHFFFAOYSA-N",370810,NA,"PDBC29093","644332","Present",NA,NA
+"29094","7-Benzylsulfanyl-5-(furan-2-yl)-2,4-bis(sulfanylidene)-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Benzylthio)-5-(furan-2-yl)-1,2,3,4-tetrahydro-2,4-dit...",NA,"C1=CC=C(C=C1)CSC2=NC3=C(C(=C2C#N)C4=CC=CO4)C(=S)NC(=S)N3","OPJYXTXPZVNNEA-UHFFFAOYSA-N",24204316,NA,"PDBC29094","731358","Present",NA,NA
+"29095","7-Bromo-1,3-dimethyl-9H-purino[7,8-a]pyrimidine-2,4,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Bromo-1,3-dimethyl-9H-purino[7,8-a]pyrimidine-2,4,8-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=O)NC3=N2)Br","LNTNIQPXIJZNEZ-UHFFFAOYSA-N",135489895,NA,"PDBC29095","692327","Present",NA,NA
+"29096","7-Bromo-1-(6-bromo-2-hydroxynaphthalen-1-yl)naphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7'-Dibromo-1,1'-binaphthalene-2,2'-diol",NA,"C1=CC(=CC2=C1C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)Br)O)O)Br","AZPRHDUQMJONLU-UHFFFAOYSA-N",380863,NA,"PDBC29096","666603","Present",NA,NA
+"29097","7-Bromo-13-hydroxy-3-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromo-6-hydroxy-13-methyl-12,13-dihydro-5H-indolo[2,3-...",NA,"CN1C2=C(C=C(C=C2)Br)C3=C4C(=C5C6=CC=CC=C6NC5=C31)C(=O)N(C4=O)O","SSKUBXWRQZAJTR-UHFFFAOYSA-N",155815742,NA,"PDBC29097","802076","Present",NA,NA
+"29098","7-Bromo-2-phenyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Bromo-2-phenyl-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-ylamino)-3H-quinazolin-4-one",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Br)C(=O)N2NC4C(C(C(C(O4)CO)O)O)O","HKEOLBNRWPQIRP-UHFFFAOYSA-N",363487,NA,"PDBC29098","628411","Present",NA,NA
+"29099","7-Bromo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Bromo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15,17,19-octaen-14-one",NA,"C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=C(N4)C=CC(=C5)Br","KWZBMRBWEHFCMK-UHFFFAOYSA-N",384881,NA,"PDBC29099","675477","Present",NA,NA
+"29100","7-Bromo-3,4-dihydro-1H-1-benzazepine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XSSMUNSMBSUOAW-UHFFFAOYSA-N",NA,"C1CC(=O)NC2=C(C1=O)C=C(C=C2)Br","XSSMUNSMBSUOAW-UHFFFAOYSA-N",369399,NA,"PDBC29100","641164","Present",NA,NA
+"29101","7-Bromo-4-(hydroxy(oxido)amino)-5-methyl-2,1,3-benzothiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,1,3-Benzothiadiazole, 7-bromo-5-methyl-4-nitro-",NA,"CC1=C(C2=NSN=C2C(=C1)Br)[N+](=O)[O-]","HUMWHYXXWVTAQW-UHFFFAOYSA-N",332746,NA,"PDBC29101","331798","Present",NA,NA
+"29102","7-Bromo-4-hydroxy-3-[(3-methyl-4-oxo-2-thioxoimidazolidin-1-yl)carbamoyl]-2H-1,2-benzothiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Bromo-4-hydroxy-N-(3-methyl-4-oxo-2-sulfanylideneimidazolidin-1-yl)-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxamide",NA,"CN1C(=O)CN(C1=S)NC(=O)C2=C(C3=C(C=C(C=C3)Br)S(=O)(=O)N2)O","SOPVBQVWMZTLEQ-UHFFFAOYSA-N",54691337,NA,"PDBC29102","698128","Present",NA,NA
+"29103","7-Bromo-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-2-one; dichloropalladium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Bromo-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-2-one; dichloropalladium",NA,NA,NA,NA,NA,"PDBC29103","643409","Present",NA,NA
+"29104","7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Bromo-6-methoxy-2-methyl-5,8-quinolinedione",NA,"CC1=NC2=C(C=C1)C(=O)C(=C(C2=O)Br)OC","XEGBXQGPUKNRNM-UHFFFAOYSA-N",280615,NA,"PDBC29104","132492","Present",NA,NA
+"29105","7-Bromo-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Bromo-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-ol",NA,"COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)Br","HIBAJFZGXFZFAE-UHFFFAOYSA-N",359623,NA,"PDBC29105","620682","Present",NA,NA
+"29106","7-Bromo-6a,9b-dihydro-1H-benzo[ij][2,7]naphthyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Bromo-6a,9b-dihydro-1H-benzo[ij][2,7]naphthyridine",NA,"C1=CNC2=CC=C(C3C2C1=CC=N3)Br","BRKQTXFMIRVPGN-UHFFFAOYSA-N",363119,NA,"PDBC29106","627687","Present",NA,NA
+"29107","7-Bromo-indirubin with water-solubilizing extension on position 3'",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-bromo-indirubin with water-solubilizing extension on p...",NA,"C1CCN(C1)CCON=C2C3=CC=CC=C3N=C2C4=C(NC5=C4C=CC=C5Br)O.Cl","LMLGODGKMLZANI-QUIVHVOCSA-N",135580441,NA,"PDBC29107","740043","Present",NA,NA
+"29108","7-Bromodibenzo[a,c]cycloocten-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(10E)-10-Bromotricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaen-8-one",NA,"C1C(=CC2=CC=CC=C2C3=CC=CC=C3C1=O)Br","WTBQKTXQSJRFSR-FMIVXFBMSA-N",5467079,NA,"PDBC29108","647350","Present",NA,NA
+"29109","7-Bromoquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Bromoquinolin-8-ol",NA,"C1=CC2=C(C(=C(C=C2)Br)O)N=C1","ICKPMTNGWVNOGC-UHFFFAOYSA-N",384161,NA,"PDBC29109","673452","Present",NA,NA
+"29110","7-Butyl-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Butyl-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,"CCCCN1C(=C(C2=C1NN=C(S2(=O)=O)C#N)C)C","KBDCRCPYQVTNAB-UHFFFAOYSA-N",392823,NA,"PDBC29110","693800","Present",NA,NA
+"29111","7-Cheto-deoxycholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Cheto-deoxycholic acid",NA,"CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(=O)CC4C3(CCC(C4)O)C)O)C","RHCPKKNRWFXMAT-LRDSFOOTSA-N",376839,NA,"PDBC29111","657957","Present",NA,NA
+"29112","7-Chloro-1,3-dihydroxy-10H-acridin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-1,3-dihydroxy-9(10H)-acridone",NA,"C1=CC2=C(C=C1Cl)C(=O)C3=C(N2)C=C(C=C3O)O","GQJBYJGKXPJLJL-UHFFFAOYSA-N",5468056,NA,"PDBC29112","663407","Present",NA,NA
+"29113","7-Chloro-1,6,8-trimethylchromeno[2,3-b]pyridine-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-1,6,8-trimethylchromeno[2,3-b]pyridine-2,5-dione",NA,"CC1=CC2=C(C(=C1Cl)C)C(=O)C3=C(O2)N(C(=O)C=C3)C","SXASFSYODVHONK-UHFFFAOYSA-N",355177,NA,"PDBC29113","608363","Present",NA,NA
+"29114","7-Chloro-1-(chloromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-1-(chloromethyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzothiazine",NA,"C1C2=NN=C(N2C3=C(S1)C=C(C=C3)Cl)CCl","ZCEHQPCOWBPKIC-UHFFFAOYSA-N",358192,NA,"PDBC29114","618069","Present",NA,NA
+"29115","7-Chloro-1-methyl-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-1-methyl-phenothiazone",NA,"CC1=CC(=O)C=C2C1=NC3=C(S2)C=C(C=C3)Cl","VNTZUMCHJBZCGI-UHFFFAOYSA-N",369386,NA,"PDBC29115","641150","Present",NA,NA
+"29116","7-Chloro-11-(cyclopentylamino)-1,11a-dihydro-5H-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-4-cyclopentylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-10-one",NA,"C1CCC(C1)N=C2C3CSCN3C(=O)C4=C(N2)C=CC(=C4)Cl","CXBYHRDJETXNJO-UHFFFAOYSA-N",135450445,NA,"PDBC29116","683495","Present",NA,NA
+"29117","7-Chloro-13,13a-dihydro-9H-[1,2,4]oxadiazolo[4,3-a][1,3]thiazolo[4,3-c][1,4]benzodiazepine-3,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Chloro-4-oxa-9-thia-2,5,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),5,14,16-tetraene-3,12-dione",NA,"C1C2C3=NOC(=O)N3C4=C(C=C(C=C4)Cl)C(=O)N2CS1","FUZDMGFZNWZZSV-UHFFFAOYSA-N",388514,NA,"PDBC29117","683498","Present",NA,NA
+"29118","7-Chloro-13,13a-dihydro-9H-[1,3]thiazolo[4,3-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Chloro-9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaen-12-one",NA,"C1C2C3=NN=CN3C4=C(C=C(C=C4)Cl)C(=O)N2CS1","LKTXMUHEQSSFEG-UHFFFAOYSA-N",388513,NA,"PDBC29118","683497","Present",NA,NA
+"29119","7-Chloro-13,14-dimethoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-13,14-dimethoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol",NA,"COC1=C(C=C2C(=C1)N=C3N2C(C4=C(S3)N=C(N=C4Cl)SC)O)OC","CIMWSANVOPMHKO-UHFFFAOYSA-N",394385,NA,"PDBC29119","697785","Present",NA,NA
+"29120","7-Chloro-2,6-di-(1-piperidyl)naphthazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-2,6-di-(1-piperidyl)naphthazarin",NA,"C1CCN(C1)C2=CC(=O)C3=C(C2=O)C(=C(C(=C3O)N4CCCC4)Cl)O","VDGWKBSOUOPFKF-UHFFFAOYSA-N",378621,NA,"PDBC29120","661414","Present",NA,NA
+"29121","7-Chloro-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-chloro-2-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4H-chro...",NA,"C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=C(O3)C=C(C=C4)Cl","JBYYCADPMPVKLO-UHFFFAOYSA-N",740710,NA,"PDBC29121","757187","Present",NA,NA
+"29122","7-Chloro-2-(3-chloroanilino)pyrano[3,4-e][1,3]oxazine-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-2-(3-chloroanilino)pyrano[3,4-e][1,3]oxazine-4,5-dione",NA,"C1=CC(=CC(=C1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl","YBBCXMKGFBMRLJ-UHFFFAOYSA-N",332174,NA,"PDBC29122","328111","Present",NA,NA
+"29123","7-Chloro-2-(methylamino)-3H-1,4-benzodiazepin-5-yl di(4-morpholinyl)phosphinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-2-(methylamino)-3H-1,4-benzodiazepin-5-yl di(4-morpholinyl)phosphinate",NA,"CN=C1CN=C(C2=C(N1)C=CC(=C2)Cl)OP(=O)(N3CCOCC3)N4CCOCC4","LJICIVONMGJXQV-UHFFFAOYSA-N",135429884,NA,"PDBC29123","288016","Present",NA,NA
+"29124","7-Chloro-2-(thien-2-yl)carbonyl-3-trifluoromethylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-2-(thien-2-yl)carbonyl-3-trifluoromethylquinoxa...",NA,"C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)Cl)[O-])C(F)(F)F","DTAURENBPDRJRX-UHFFFAOYSA-N",23635526,NA,"PDBC29124","728084","Present",NA,NA
+"29125","7-Chloro-2-(thien-2-ylcarbonyl)3-trifluoromethylquinoxaline-4-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-chloro-2-(thien-2-ylcarbonyl)3-trifluoromethylquinoxal...",NA,"C1=CSC(=C1)C(=O)C2=NC3=C(C=CC(=C3)Cl)[N+](=C2C(F)(F)F)[O-]","DWVYQZGSKPJCIK-UHFFFAOYSA-N",46888071,NA,"PDBC29125","740111","Present",NA,NA
+"29126","7-Chloro-2-cyclohexyl-4[3H]quinazolinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OASZMKFGOOQRNQ-UHFFFAOYSA-N",NA,"C1CCC(CC1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2","OASZMKFGOOQRNQ-UHFFFAOYSA-N",135484981,NA,"PDBC29126","626524","Present",NA,NA
+"29127","7-Chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione",NA,"C1C(SC2=C(C=C(C=C2)Cl)NC1=S)C3=CC=CC=C3","WYMZGMUKKHWDQH-UHFFFAOYSA-N",3005001,NA,"PDBC29127","667460","Present",NA,NA
+"29128","7-Chloro-2-phenylquinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-43110",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)Cl)C(=O)N2","DWSBXSUAJILPPH-UHFFFAOYSA-N",135431223,NA,"PDBC29128","627406","Present",NA,NA
+"29129","7-Chloro-2-phenylquinolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KUC100227",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)Cl","XQOKFGZSHRSHMK-UHFFFAOYSA-N",371056,NA,"PDBC29129","644949","Present",NA,NA
+"29130","7-Chloro-2-piperazin-1-ylpyrano[3,4-e][1,3]oxazine-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-2-piperazin-1-yl-pyrano[3,4-e][1,3]oxazine-4,5-dione",NA,"C1CN(CCN1)C2=NC(=O)C3=C(O2)C=C(OC3=O)Cl","KGEBJQUIGXMOMM-UHFFFAOYSA-N",396375,NA,"PDBC29130","702324","Present",NA,NA
+"29131","7-Chloro-3-((((4-chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-4-oxo-1,4-dihydroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3-((((4-chloroanilino)carbonyl)amino)sulfonyl)-1-methyl-4-oxo-1,4-dihydroquinoline",NA,"CN1C=C(C(=O)C2=C1C=C(C=C2)Cl)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl","FBELQBFFMCNOFE-UHFFFAOYSA-N",382409,NA,"PDBC29131","669970","Present",NA,NA
+"29132","7-Chloro-3-(4-(hydroxy(oxido)amino)phenyl)-6-methyl-2,1,4-benzoxathiazine 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-6-methyl-3-(4-nitrophenyl)-2,1,4-benzoxathiazine 1,1-dioxide",NA,"CC1=CC2=C(C=C1Cl)S(=O)(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]","FXPROPLOHFMILP-UHFFFAOYSA-N",384054,NA,"PDBC29132","673179","Present",NA,NA
+"29133","7-Chloro-3-(4-fluoroanilino)-1,4-dioxidoquinoxaline-1,4-diium-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3e)-7-Chloro-3-[(4-fluorophenyl)imino]-4-hydroxy-3,4-dihydroquinoxaline-2-carbonitrile 1-oxide",NA,"C1=CC(=CC=C1NC2=[N+](C3=C(C=C(C=C3)Cl)[N+](=C2C#N)[O-])[O-])F","JQHXIQHHIYWEST-UHFFFAOYSA-N",135426810,NA,"PDBC29133","719372","Present",NA,NA
+"29134","7-Chloro-3-(4-fluorophenyl)-5-methylthiazolo[4,5-d]pyrimidin e-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-chloro-3-(4-fluorophenyl)-5-methylthiazolo[4,5-d]pyrim...",NA,"CC1=NC2=C(C(=N1)Cl)SC(=S)N2C3=CC=C(C=C3)F","ORJIZGBRRHFQMY-UHFFFAOYSA-N",405159,NA,"PDBC29134","722196","Present",NA,NA
+"29135","7-Chloro-3-(4-methylanilino)-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3e)-7-Chloro-4-hydroxy-1-oxido-3-(p-tolylimino)quinoxalin-1-ium-2-carbonitrile",NA,"CC1=CC=C(C=C1)NC2=[N+](C3=C(C=C(C=C3)Cl)[N+](=C2C#N)[O-])[O-]","UZTJBKDVRMJPGC-UHFFFAOYSA-N",135457335,NA,"PDBC29135","693867","Present",NA,NA
+"29136","7-Chloro-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-methyl-quinazolin-4-one",NA,"CCC1=NN=C(S1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)C","XQYXBFXXUYLVNC-UHFFFAOYSA-N",399244,NA,"PDBC29136","709917","Present",NA,NA
+"29137","7-Chloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one",NA,"C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=CC=C3Cl)O)[N+](=O)[O-]","CXQRWEIMEOMBCI-UHFFFAOYSA-N",3755584,NA,"PDBC29137","117188","Present",NA,NA
+"29138","7-Chloro-3-[3-(dimethylamino)propylamino]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3-[3-(dimethylamino)propylamino]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile",NA,"CN(C)CCCNC1=[N+](C2=C(C=C(C=C2)Cl)[N+](=C1C#N)[O-])[O-]","PPFOYMPJVKBSSS-UHFFFAOYSA-N",135418452,NA,"PDBC29138","689727","Present",NA,NA
+"29139","7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile",NA,"C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=C(N(C4=C([N+]3=O)C=CC(=C4)Cl)[O-])C#N","KOWDAYQKISBTQV-UHFFFAOYSA-N",390734,NA,"PDBC29139","688493","Present",NA,NA
+"29140","7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3-[4-(4-nitrophenyl)piperazin-1-yl]quinoxaline-2-carbonitrile",NA,"C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(C=C(C=C4)Cl)N=C3C#N","LVMRJHSZXZHQMG-UHFFFAOYSA-N",395035,NA,"PDBC29140","699219","Present",NA,NA
+"29141","7-Chloro-3-methyl-2-phenyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3-methyl-2-phenylquinolin-4(1H)-one",NA,"CC1=C(NC2=C(C1=O)C=CC(=C2)Cl)C3=CC=CC=C3","KGJFHFHVLMPARI-UHFFFAOYSA-N",382086,NA,"PDBC29141","669445","Present",NA,NA
+"29142","7-Chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MB05892",NA,"C1=CC2=C(C=C1Cl)N=C(C(=O)N2)C(=O)O","MBMPVNKCWNUXHU-UHFFFAOYSA-N",387924,NA,"PDBC29142","682229","Present",NA,NA
+"29143","7-Chloro-3-phenyl-5-pyridin-3-yl-[1,3]thiazolo[4,5-d]pyrimidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-chloro-3-phenyl-5-(pyridin-3-yl)-thiazolo[4,5-d]pyrimi...",NA,"C1=CC=C(C=C1)N2C3=C(C(=NC(=N3)C4=CN=CC=C4)Cl)SC2=S","WGCGHPNOMDXPGG-UHFFFAOYSA-N",155810145,NA,"PDBC29143","781113","Present",NA,NA
+"29144","7-Chloro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-chloro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=C(C=C4)Cl)[O-])C(F)(F)F","VHQVBTBBIBMMJF-UHFFFAOYSA-N",23635410,NA,"PDBC29144","736433","Present",NA,NA
+"29145","7-Chloro-3a-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-3a-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one",NA,"C1CC2(NC3=C(N2C1=O)C=C(C=C3)Cl)C4=CC=CC=C4","KARPGHBSCMSNLT-UHFFFAOYSA-N",368714,NA,"PDBC29145","639851","Present",NA,NA
+"29146","7-Chloro-4-(4,4-d] pyrimidine-1-yl)-Quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro -4- ( 4,6-dimethyl thio- pyrazolo [3,4-d] pyrim...",NA,"CSC1=NC(=NC2=C1C=NN2C3=C4C=CC(=CC4=NC=C3)Cl)SC","HQUNKQKSRZLCBU-UHFFFAOYSA-N",24203467,NA,"PDBC29146","728188","Present",NA,NA
+"29147","7-Chloro-4-(hydroxyamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-4-(hydroxyamino)-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,"C1C2C(=NC3=C(C=CC(=C3)Cl)C(=S)N2CS1)NO","OTVDFGXYQQCOJW-UHFFFAOYSA-N",3005216,NA,"PDBC29147","683500","Present",NA,NA
+"29148","7-Chloro-4-[[4-(diethylamino)-1-methylbutyl]amino]-3, phosphate (1:2), dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-CHLORO-4-[[4-(DIETHYLAMINO)-1-METHYLBUTYL]AMINO]-3,6-D...",NA,"CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1C)Cl)C.OP(=O)(O)O","PYUFLHKGGDXGJZ-UHFFFAOYSA-N",54601722,NA,"PDBC29148","355","Present",NA,NA
+"29149","7-Chloro-4-hydroxy-10,11-dimethoxy-4-(2-oxopropyl)-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-4-hydroxy-10,11-dimethoxy-4-(2-oxopropyl)-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one",NA,"CC(=O)CC1(C2=CC(=NC3=C2C(=CC(=C3OC)OC)NC1=O)Cl)O","BOJWAVXWRPVRMJ-UHFFFAOYSA-N",397795,NA,"PDBC29149","706233","Present",NA,NA
+"29150","7-Chloro-4-hydroxy-10,11-dimethoxy-4-phenacyl-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-4-hydroxy-10,11-dimethoxy-4-phenacyl-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-3-one",NA,"COC1=C(C2=C3C(=CC(=N2)Cl)C(C(=O)NC3=C1)(CC(=O)C4=CC=CC=C4)O)OC","OJXPOFORGKOUPG-UHFFFAOYSA-N",397796,NA,"PDBC29150","706234","Present",NA,NA
+"29151","7-Chloro-4-methyl-5-[[1,1-bis(hydroxymethyl)ethyl]amino]pyrimido[4,5-b]quinolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimido[4,5-b]quinolin-2(3H)-one",NA,"CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)NC(C)(CO)CO","ICDIHYFFLIAXRI-UHFFFAOYSA-N",381003,NA,"PDBC29151","666980","Present",NA,NA
+"29152","7-Chloro-4-methyl-5-[[2-[(2-hydroxyethyl)amino]ethyl]amino]pyrimido[4,5-b]quinolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5-({2-[(2-hydroxyethyl)amino]ethyl}amino)-4-methylpyrimido[4,5-b]quinolin-2(3H)-one",NA,"CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)NCCNCCO","SLKCWKBBDDVNSH-UHFFFAOYSA-N",382104,NA,"PDBC29152","669468","Present",NA,NA
+"29153","7-Chloro-4-methyl-5-[bis(2-hydroxyethyl)amino]pyrimido[4,5-b]quinolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[Bis(2-hydroxyethyl)amino]-7-chloro-4-methylpyrimido[4,5-b]quinolin-2(3H)-one",NA,"CC1=C2C(=C3C=C(C=CC3=NC2=NC(=O)N1)Cl)N(CCO)CCO","GZQLDKSXDHRMRM-UHFFFAOYSA-N",382105,NA,"PDBC29153","669469","Present",NA,NA
+"29154","7-Chloro-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-4-phenyl-3,5-dihydro-1H-pyrido[3,2-e][1,4]diazepin-2-one",NA,"C1C2=C(C=CC(=N2)Cl)NC(=O)CN1C3=CC=CC=C3","UIMFDGQHKCEHDZ-UHFFFAOYSA-N",389481,NA,"PDBC29154","685702","Present",NA,NA
+"29155","7-Chloro-5-((2-(2-(diethylamino)ethyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5-[2-[2-[2-(diethylamino)ethyl]piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CCN(CC)CCC1CCCCN1CC(=O)N2C(CC(=O)NC3=C2C=C(C=C3)Cl)C","LVUSWLJQTCCSJM-UHFFFAOYSA-N",379650,NA,"PDBC29155","664527","Present",NA,NA
+"29156","7-Chloro-5-((3-(dimethylamino)propyl)amino)-4-methyl-5,10-dihydropyrimido[4,5-b]quinolin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5-((3-(dimethylamino)propyl)amino)-4-methyl-5,10-dihydropyrimido[4,5-b]quinolin-2-ol",NA,"CC1=C2C(C3=C(C=CC(=C3)Cl)NC2=NC(=O)N1)NCCCN(C)C","ACJQTXHGUPKZIV-UHFFFAOYSA-N",375425,NA,"PDBC29156","655145","Present",NA,NA
+"29157","7-Chloro-5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5-[2-[4-[4-(diethylamino)butyl]piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CCN(CC)CCCCC1CCN(CC1)CC(=O)N2C(CC(=O)NC3=C2C=C(C=C3)Cl)C","CIPZVIFEBZVKQB-UHFFFAOYSA-N",372555,NA,"PDBC29157","647772","Present",NA,NA
+"29158","7-Chloro-5-((4-(4-(dimethylamino)butyl)-1-piperidinyl)acetyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5-[2-[4-[4-(dimethylamino)butyl]piperidin-1-yl]acetyl]-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one",NA,"CC1CC(=O)NC2=C(N1C(=O)CN3CCC(CC3)CCCCN(C)C)C=C(C=C2)Cl","VIDKORWVZTYDMJ-UHFFFAOYSA-N",372554,NA,"PDBC29158","647771","Present",NA,NA
+"29159","7-Chloro-5-hydroxy-2,4-dimethyl-1-(2-methyl-1,3-dioxolan-2-yl)benzo[e][1]benzofuran-6,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5-hydroxy-2,4-dimethyl-1-(2-methyl-1,3-dioxolan-2-yl)benzo[e][1]benzofuran-6,9-dione",NA,"CC1=C(C2=C(C(=O)C=C(C2=O)Cl)C3=C1OC(=C3C4(OCCO4)C)C)O","XMNXAWUNRUTKRX-UHFFFAOYSA-N",359529,NA,"PDBC29159","620512","Present",NA,NA
+"29160","7-Chloro-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11,13,15-heptaen-9-ol",NA,"CSC1=NC2=C(C(N3C4=CC=CC=C4N=C3S2)O)C(=N1)Cl","JBGVBUGXIHKCBF-UHFFFAOYSA-N",394382,NA,"PDBC29160","697782","Present",NA,NA
+"29161","7-Chloro-5H-[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-5H-[1,3]thiazolo[2',3':2,3]imidazo[4,5-b]indole",NA,"C1=CC2=C(C=C1Cl)NC3=C2N=C4N3C=CS4","QVCVVOVEWGTVAE-UHFFFAOYSA-N",371575,NA,"PDBC29161","645903","Present",NA,NA
+"29162","7-Chloro-6-(2-fluoroethylamino)quinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-6-N-(2-fluoroethylamino)-5,8-quinolinedione",NA,"C1=CC2=C(C(=O)C(=C(C2=O)NCCF)Cl)N=C1","VHFIMKUFLLZCDS-UHFFFAOYSA-N",379079,NA,"PDBC29162","663286","Present",NA,NA
+"29163","7-Chloro-6-(2-morpholin-4-ylethylamino)quinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-N-(Aminoethyl-2-(4-morpholino))-6-chloro-5,8-quinoline...",NA,"C1COCCN1CCNC2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl","LGTBDMBBPVNDSZ-UHFFFAOYSA-N",379078,NA,"PDBC29163","663285","Present",NA,NA
+"29164","7-Chloro-6-(dimethylamino)-2-phenylpyrano[3,2-g][1,3]benzothiazol-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-6-(dimethylamino)-2-phenylpyrano[3,2-g][1,3]benzothiazol-8-one",NA,"CN(C)C1=C(C(=O)OC2=C1C=CC3=C2SC(=N3)C4=CC=CC=C4)Cl","POMFUZJCZBRCNH-UHFFFAOYSA-N",337835,NA,"PDBC29164","357581","Present",NA,NA
+"29165","7-Chloro-6-N-(4-(2'-pyridyl)piperazino)-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-6-N-(4-(2'-pyridyl)piperazino)-5,8-quinolinedione",NA,"C1CN(CCN1C2=CC=CC=N2)C3=C(C(=O)C4=C(C3=O)C=CC=N4)Cl","YFIRLCDIKBWLFV-UHFFFAOYSA-N",379080,NA,"PDBC29165","663287","Present",NA,NA
+"29166","7-Chloro-6-N-(4-hexoxyanilino)-5,8-quinolinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-6-N-(4-hexoxyanilino)-5,8-quinolinedione",NA,"CCCCCCOC1=CC=C(C=C1)NC2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl","OBXPDDANRCWKQT-UHFFFAOYSA-N",379076,NA,"PDBC29166","663283","Present",NA,NA
+"29167","7-Chloro-6-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]quinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-6-{4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl}quinoline-5,8-dione",NA,"C1CN(CCN1CCOCCO)C2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl","NDHDOMHKTGITBG-UHFFFAOYSA-N",378910,NA,"PDBC29167","662381","Present",NA,NA
+"29168","7-Chloro-6-methoxyquinoline-5,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-6-methoxyquinoline-5,8-dione",NA,"COC1=C(C(=O)C2=C(C1=O)C=CC=N2)Cl","YAHHUAWLRNXMJC-UHFFFAOYSA-N",255470,NA,"PDBC29168","81048","Present",NA,NA
+"29169","7-Chloro-6-piperazino-5,8-quinolinedione HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-6-piperazino-5,8-quinolinedione HCl",NA,"C1CN(CCN1)C2=C(C(=O)C3=C(C2=O)C=CC=N3)Cl.Cl","AFVWXEXPEYQRQE-UHFFFAOYSA-N",378913,NA,"PDBC29169","662384","Present",NA,NA
+"29170","7-Chloro-9-[[3-(dipentylamino)propyl]amino]-1,3,4-tetrahydroacridine, phosphate (3:2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-CHLORO-9-[[3-(DIPENTYLAMINO)PROPYL]AMINO]-1,2,3,4-TETR...",NA,"CCCCCN(CCCCC)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl.OP(=O)(O)O","NSMUFRYYCJQJCM-UHFFFAOYSA-N",54599265,NA,"PDBC29170","384","Present",NA,NA
+"29171","7-Chloro-9-thioxo-13,13a-dihydro-9H-[1,2,4]oxadiazolo[4,3-a][1,3]thiazolo[4,3-c][1,4]benzodiazepin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Chloro-12-sulfanylidene-4-oxa-9-thia-2,5,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),5,14,16-tetraen-3-one",NA,"C1C2C3=NOC(=O)N3C4=C(C=C(C=C4)Cl)C(=S)N2CS1","ZOGUITUFUCGBOY-UHFFFAOYSA-N",388520,NA,"PDBC29171","683504","Present",NA,NA
+"29172","7-Chloro-N,3-dimethyl-5-phenyl-1,3,4-benzotriazepin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-N,3-dimethyl-5-phenyl-1,3,4-benzotriazepin-2-amine",NA,"CN=C1NC2=C(C=C(C=C2)Cl)C(=NN1C)C3=CC=CC=C3","OJTDIBCKEJZOMW-UHFFFAOYSA-N",135503447,NA,"PDBC29172","633211","Present",NA,NA
+"29173","7-Chloro-N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-N-(2-hydroxyethyl)-3-methylquinoxaline-2-carboxamide 1,4-dioxide",NA,"CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)Cl)C(=O)NCCO","GAUDGJISWUXODW-UHFFFAOYSA-N",365224,NA,"PDBC29173","632549","Present",NA,NA
+"29174","7-Chloro-N-(4-ethoxyphenyl)quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766790",NA,"CCOC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl","RDBXCICTXSDJIF-UHFFFAOYSA-N",711950,NA,"PDBC29174","766790","Present",NA,NA
+"29175","7-Chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=C(C=CC3=N2)Cl.Cl","PTBHXCSBYFHADS-UHFFFAOYSA-N",358156,NA,"PDBC29175","617979","Present",NA,NA
+"29176","7-Chloro-N-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-chloro-N-(2-(4-(2-(pyrrolidin-1-yl)pyrimidin-4-yl)pipe...",NA,"C1CCN(C1)C2=NC=CC(=N2)N3CCN(CC3)CCNC4=C5C=CC(=CC5=NC=C4)Cl","ZDDVUJHMTWPONQ-UHFFFAOYSA-N",71736922,NA,"PDBC29176","782757","Present",NA,NA
+"29177","7-Chloro-N-[4-(3-phenyloxaziridin-2-yl)butyl]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinolinamine, 7-chloro-N-[4-(3-phenyloxaziridinyl) bu...",NA,"C1=CC=C(C=C1)C2N(O2)CCCCNC3=C4C=CC(=CC4=NC=C3)Cl","MMUAXWUXILQCRK-UHFFFAOYSA-N",380063,NA,"PDBC29177","665364","Present",NA,NA
+"29178","7-Chloro-N-[4-[2-morpholin-4-yl-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]phenyl]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-chloro-N-(4-(2-morpholino-6-(3,4,5-trimethoxyphenyl)py...",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC(=NC(=C2)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)N6CCOCC6","OQFXPWSMEIBFFE-UHFFFAOYSA-N",155814943,NA,"PDBC29178","790653","Present",NA,NA
+"29179","7-Chloro-n-(1-ethylpiperidin-4-yl)quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13248",NA,"CCN1CCC(CC1)NC2=C3C=CC(=CC3=NC=C2)Cl","IZTXOLYDQAZEMI-UHFFFAOYSA-N",224612,NA,"PDBC29179","13248","Present",NA,NA
+"29180","7-Chloro-n-[4-(piperidin-1-yl)cyclohexyl]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-n-[4-(piperidin-1-yl)cyclohexyl]quinolin-4-amine",NA,"C1CCN(CC1)C2CCC(CC2)NC3=C4C=CC(=CC4=NC=C3)Cl","SVJCZPVZDHLIEP-UHFFFAOYSA-N",245078,NA,"PDBC29180","56624","Present",NA,NA
+"29181","7-Chlorobenzo[c]quinolizin-11-ium-6-amine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679795",NA,"C1=CC=[N+]2C3=C(C(=CC=C3)Cl)C(=CC2=C1)N.[Cl-]","WBTSCZKBNPYPLE-UHFFFAOYSA-N",386892,NA,"PDBC29181","679795","Present",NA,NA
+"29182","7-Chlorobenzo[c]quinolizin-11-ium-6-ol;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679797",NA,"C1=CC=[N+]2C3=C(C(=CC=C3)Cl)C(=CC2=C1)O.[Cl-]","KFVLESKBDQIWCZ-UHFFFAOYSA-N",386896,NA,"PDBC29182","679797","Present",NA,NA
+"29183","7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glycinate ester hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin-2...",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)CCl)OC(=O)CN","LBROZKPMBVXJJK-DEOSSOPVSA-N",486157,NA,"PDBC29183","688687","Present",NA,NA
+"29184","7-Chloromethyl-10,11-methylenedioxycamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloromethyl-10,11-methylenedioxy-20(S)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)CCl)O","FGIXZILUSHAOJP-QFIPXVFZSA-N",468670,NA,"PDBC29184","671901","Present",NA,NA
+"29185","7-Chloroquinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"K9AEQ8892Y",NA,"C1=CC2=C(C(=C(C=C2)Cl)O)N=C1","RMJFNYXBFISIET-UHFFFAOYSA-N",24691,NA,"PDBC29185","673451","Present",NA,NA
+"29186","7-Con-O-methylnogarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MENOGARIL",NA,"CC1(CC(C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)OC)O","LWYJUZBXGAFFLP-KIWNRLSNSA-N",3001029,NA,"PDBC29186","269148","Present",NA,NA
+"29187","7-Cyano-2-((diisopropylamino)carbonyl)-1-cubanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Cyano-2-((diisopropylamino)carbonyl)-1-cubanecarboxylic acid",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4(C3C25C(=O)O)C#N","RNMJLDBYHNJYLB-UHFFFAOYSA-N",369210,NA,"PDBC29187","640916","Present",NA,NA
+"29188","7-Cyano-3-(p-chlorophenyl)hydrazo-2-oxo pyrazolo[1,5-a]imidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Cyano-3-(p-chlorophenyl)hydrazo-2-oxo pyrazolo[1,5-a]i...",NA,"C1=CC(=CC=C1N=NC2=C(N=C3N2NC=C3C#N)O)Cl","YPMNFWUNROXZJC-UHFFFAOYSA-N",406443,NA,"PDBC29188","724517","Present",NA,NA
+"29189","7-Deacetoxy-7-hydroxygedunin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GEDUNIN DEACETYL-",NA,"CC1(C2CC(C3(C(C2(C=CC1=O)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)O)C","HCEYJYMNIQHPPK-UHFFFAOYSA-N",1885,NA,"PDBC29189","309912","Present",NA,NA
+"29190","7-Deoxydaunomycinone sulfonic acid plus inorganic salts, mainly sodium sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Deoxydaunomycinone sulfonic acid plus inorganic salts,...",NA,"CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)S(=O)(=O)O)O","ZKBYWMRIHIDIJE-FHQWGVRCSA-N",6711911,NA,"PDBC29190","646128","Present",NA,NA
+"29191","7-Deoxynogalarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"u 27744",NA,"CC1(CCC2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)O","LIUWFJINGKUEER-UHFFFAOYSA-N",151719,NA,"PDBC29191","114345","Present",NA,NA
+"29192","7-Dihydrobenfluron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Dihydrobenfluron",NA,"CN(C)CCOC1=CC2=C(C3=CC=CC=C3C2O)C4=CC=CC=C41","AMLZJBJUPQPFNG-UHFFFAOYSA-N",128534,NA,"PDBC29192","625256","Present",NA,NA
+"29193","7-Diisopropoxyphosphoryl-3,6-dimethyl-pyrrolo[2,1-b]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Diisopropoxyphosphoryl-3,6-dimethyl-pyrrolo[2,1-b]thiazole",NA,"CC1=CN2C(=CSC2=C1P(=O)(OC(C)C)OC(C)C)C","TWWOLLMNFVRBCW-UHFFFAOYSA-N",387535,NA,"PDBC29193","681445","Present",NA,NA
+"29194","7-Diisopropoxyphosphoryl-3-methyl-6-phenyl-pyrrolo[2,1-b]thiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Diisopropoxyphosphoryl-3-methyl-6-phenyl-pyrrolo[2,1-b]thiazole",NA,"CC1=CSC2=C(C(=CN12)C3=CC=CC=C3)P(=O)(OC(C)C)OC(C)C","LEWFPIWHFSAZIZ-UHFFFAOYSA-N",387536,NA,"PDBC29194","681446","Present",NA,NA
+"29195","7-Epi-10-deacetylbaccatin III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Epi-10-deacetylbaccatin III",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O","YWLXLRUDGLRYDR-NPFWFQCCSA-N",6712096,NA,"PDBC29195","656178","Present",NA,NA
+"29196","7-Epi-10-deacetyltaxol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Epi-10-deacetyltaxol",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O","TYLVGQKNNUHXIP-WHQJTFKHSA-N",6712095,NA,"PDBC29196","656177","Present",NA,NA
+"29197","7-Epi-3,4-bis-nor-dolastatin 11",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-epi-3,4-bis-nor-dolastatin 11",NA,"CCC(C)C1C(=O)NCC(=O)N(C(C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)C(C(=O)NC(C(=O)NCCC(=O)O1)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C","UNKPTWGELDRDDE-VAAZOVBASA-N",396354,NA,"PDBC29197","702158","Present",NA,NA
+"29198","7-Epiclusianone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-epiclusianone",NA,"CC(=CCC1CC2(C(=O)C(=C(C3=CC=CC=C3)O)C(=O)C(C2=O)(C1(C)C)CC=C(C)C)CC=C(C)C)C","KLFBRRJTELLZLW-RMKGZORESA-N",5471610,NA,"PDBC29198","711978","Present",NA,NA
+"29199","7-Ethoxy-3,8-dimethoxy-5-[2-(methylamino)ethyl]phenanthren-4-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Ethoxy-3,8-dimethoxy-5-[2-(methylamino)ethyl]phenanthren-4-ol;hydrochloride",NA,"CCOC1=C(C2=C(C(=C1)CCNC)C3=C(C=C2)C=CC(=C3O)OC)OC.Cl","BCVSJXPGGAAKRZ-UHFFFAOYSA-N",356181,NA,"PDBC29199","611264","Present",NA,NA
+"29200","7-Ethoxy-4-methylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-7-ethoxycoumarin",NA,"CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C","NKRISXMDKXBVRJ-UHFFFAOYSA-N",66595,NA,"PDBC29200","60561","Present",NA,NA
+"29201","7-Ethoxy-5-methoxy-2-methyl-6-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]iminomethyl]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Ethoxy-5-methoxy-2-methyl-6-[[4-[(2-methylbenzimidazol-1-yl)methyl]phenyl]iminomethyl]chromen-4-one",NA,"CCOC1=C(C(=C2C(=C1)OC(=CC2=O)C)OC)C=NC3=CC=C(C=C3)CN4C(=NC5=CC=CC=C54)C","MIKJXQHIAWDYKG-UHFFFAOYSA-N",396638,NA,"PDBC29201","703137","Present",NA,NA
+"29202","7-Ethyl 9-methyl 8-(3-(hydroxy(oxido)amino)phenyl)-6,9a-dimethyl-3,4,9,9a-tetrahydro-2H,8H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-O-Ethyl 9-O-methyl 6,9a-dimethyl-8-(3-nitrophenyl)-3,4,8,9-tetrahydro-2H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate",NA,"CCOC(=O)C1=C(N2CCCOC2(C(C1C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC)C)C","VYJIGLZLCDRKOF-UHFFFAOYSA-N",375833,NA,"PDBC29202","656081","Present",NA,NA
+"29203","7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glycinate ester hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin-20-glyci...",NA,"CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)OC(=O)CN)C2=NC5=CC6=C(C=C51)OCO6","CTABHWFOOATDCN-VWLOTQADSA-N",155814754,NA,"PDBC29203","676194","Present",NA,NA
+"29204","7-Ethyl-10,11-methylenedioxy-20-S-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Ethyl-10,11-methylenedioxy-20(S)-camptothecin",NA,"CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC6=C(C=C51)OCO6","VPGWXOVUCCDEPV-QHCPKHFHSA-N",123614,NA,"PDBC29204","673592","Present",NA,NA
+"29205","7-Ethyl-4-hydroxy-3-methoxy-2,2-dimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Ethyl-4-hydroxy-3-methoxy-2,2-dimethyl-5-methylidenespiro[3a,4-dihydro-3H-indene-6,1'-cyclopropane]-1-one",NA,"CCC1=C2C(C(C(=C)C13CC3)O)C(C(C2=O)(C)C)OC","YUCAAPULQCBMIC-UHFFFAOYSA-N",406827,NA,"PDBC29205","725118","Present",NA,NA
+"29206","7-Ethyl-5-oxa-1-azatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Ethyl-5-oxa-1-azatetracyclo[8.7.0.03,8.011,16]heptadeca-3(8),9,11,13,15-pentaene-2,6-dione",NA,"CCC1C2=C(COC1=O)C(=O)N3CC4=CC=CC=C4C3=C2","KEJHBCDJFVTJSY-UHFFFAOYSA-N",325251,NA,"PDBC29206","293556","Present",NA,NA
+"29207","7-Ethyl-9-amino-10,11-methylenedioxy-20(S)-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Ethyl-9-amino-10,11-methylenedioxy-20(S)-camptothecin",NA,"CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC6=C(C(=C51)N)OCO6","SVBVRHFMDMNEON-QHCPKHFHSA-N",101684193,NA,"PDBC29207","673593","Present",NA,NA
+"29208","7-Ethyl-9-amino-20(S)-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Ethyl-9-amino-20(S)-camptothecin",NA,"CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC=CC(=C51)N","XEZHQWJDQCESCS-QFIPXVFZSA-N",10385778,NA,"PDBC29208","673595","Present",NA,NA
+"29209","7-Fluoro-2-(2-furoyl)-3-trifluoromethylquioxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-fluoro-2-(2-furoyl)-3-trifluoromethylquioxaline 1,4-di...",NA,"C1=COC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)F)[O-])C(F)(F)F","CFVGKMVHLIVURA-UHFFFAOYSA-N",23635646,NA,"PDBC29209","736443","Present",NA,NA
+"29210","7-Fluoro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-fluoro-2-(thien-2-ilcarbonyl)-3-trifluoromethylquioxal...",NA,"C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)F)[O-])C(F)(F)F","GLLQQOCPLFPVOE-UHFFFAOYSA-N",23635525,NA,"PDBC29210","736442","Present",NA,NA
+"29211","7-Fluoro-2-benzoyl-3-trifluoromethylquioxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-fluoro-2-benzoyl-3-trifluoromethylquioxaline 1,4-dioxide",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)F)[O-])C(F)(F)F","VXDIWJXVNFQVJJ-UHFFFAOYSA-N",23635154,NA,"PDBC29211","740385","Present",NA,NA
+"29212","7-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Fluoro-2-pyridin-2-yl-1H-quinolin-4-one",NA,"C1=CC=NC(=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)F","RJACOAGSXQLRII-UHFFFAOYSA-N",372259,NA,"PDBC29212","647315","Present",NA,NA
+"29213","7-Fluoro-3-(2-fluorophenyl)chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Fluoro-3-(2-fluorophenyl)chromen-4-one",NA,"C1=CC=C(C(=C1)C2=COC3=C(C2=O)C=CC(=C3)F)F","WKZZGYDMBNRMCN-UHFFFAOYSA-N",394829,NA,"PDBC29213","698681","Present",NA,NA
+"29214","7-Fluoro-3-[(7-fluoro-4-oxo-chromen-3-yl)disulfanyl]chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Fluoro-3-[(7-fluoro-4-oxo-chromen-3-yl)disulfanyl]chromen-4-one",NA,"C1=CC2=C(C=C1F)OC=C(C2=O)SSC3=COC4=C(C3=O)C=CC(=C4)F","HZSCPEOBHAYHPB-UHFFFAOYSA-N",385907,NA,"PDBC29214","677369","Present",NA,NA
+"29215","7-Fluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-fluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-dioxide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=C([N+]3=O)C=C(C=C4)F)[O-])C(F)(F)F","SKQQHTSKZMDXTL-UHFFFAOYSA-N",23635287,NA,"PDBC29215","736437","Present",NA,NA
+"29216","7-Fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Fluoro-4-(4-methylpiperazin-1-yl)pyrrolo[1,2-a]quinoxaline",NA,"CN1CCN(CC1)C2=NC3=C(C=CC(=C3)F)N4C2=CC=C4","RYXJSAHVNPQLMV-UHFFFAOYSA-N",376254,NA,"PDBC29216","656962","Present",NA,NA
+"29217","7-Fluoro-9-methoxy-2,3,4,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Fluoro-9-methoxy-2,3,4,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol;hydrochloride",NA,"COC1=C2C3=C(CC4C5(C3(CCN4)C(O2)C(C=C5)F)O)C=C1.Cl","DCUUZLMNIBYGQB-UHFFFAOYSA-N",398198,NA,"PDBC29217","707801","Present",NA,NA
+"29218","7-Fluorobenzo[a]pyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-40020",NA,"C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC=C5F)C=C2","QLWASAJNCFHPGV-UHFFFAOYSA-N",51336,NA,"PDBC29218","623136","Present",NA,NA
+"29219","7-Fluorobenzo[b][1,4]benzothiazepin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Fluorobenzo[b][1,4]benzothiazepin-6-amine",NA,"C1=CC=C2C(=C1)N=C(C3=C(C=CC=C3S2)F)N","PQWQVZVWCFLQGK-UHFFFAOYSA-N",396646,NA,"PDBC29219","703160","Present",NA,NA
+"29220","7-Hexan-2-yl-8-hydroxy-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(Hexan-2-yl)-8-hydroxy-1,4a-dimethyl-5,6,7,8-tetrahydronaphthalen-2(4aH)-one",NA,"CCCCC(C)C1CCC2(C=CC(=O)C(=C2C1O)C)C","DMQHCLBQGFSHGK-UHFFFAOYSA-N",360734,NA,"PDBC29220","623073","Present",NA,NA
+"29221","7-Hydroxy-1,9-dimethyl-5,13-dihydroquinolino[2,3-c]acridine-8,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-1,9-dimethyl-5H,13H-dibenzo[b,j]phenanthroline...",NA,"CC1=C2C(=CC=C1)NC3=CC(=C4C(=C3C2=O)NC5=CC=CC(=C5C4=O)C)O","COKVHPUHRWBQGA-UHFFFAOYSA-N",5465794,NA,"PDBC29221","662140","Present",NA,NA
+"29222","7-Hydroxy-2,3-dihydro-1H-indolizin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indolizin-5-one, 2,3-dihydro-7-hydroxy",NA,"C1CC2=CC(=CC(=O)N2C1)O","WBGRYVYGUXXQBB-UHFFFAOYSA-N",54680634,NA,"PDBC29222","645089","Present",NA,NA
+"29223","7-Hydroxy-2,3-dimethylbenzo[g]quinoxaline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-2,3-dimethylbenzo[g]quinoxaline-5,10-dione",NA,"CC1=C(N=C2C(=N1)C(=O)C3=C(C2=O)C=C(C=C3)O)C","LNNCEWVRJMDXSI-UHFFFAOYSA-N",334271,NA,"PDBC29223","338696","Present",NA,NA
+"29224","7-Hydroxy-2-(hydroxymethyl)-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-2-(hydroxymethyl)-3-methyl-6-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazole-4,5-dione",NA,"CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=C(C5=C(C(=O)C4=O)N(C(=N5)CO)C)O","OWAZXWGJOWUOCP-UHFFFAOYSA-N",135426679,NA,"PDBC29224","706844","Present",NA,NA
+"29225","7-Hydroxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-2-imino-N-naphthalen-1-ylchromene-3-carboxamide",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=C(C=C(C=C4)O)OC3=N","VFSRGJFRQMQJPF-UHFFFAOYSA-N",135426626,NA,"PDBC29225","704407","Present",NA,NA
+"29226","7-Hydroxy-2-nonylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-2-nonyl-4H-chromen-4-one",NA,"CCCCCCCCCC1=CC(=O)C2=C(O1)C=C(C=C2)O","LZGSPEQXACEODB-UHFFFAOYSA-N",5375154,NA,"PDBC29226","631965","Present",NA,NA
+"29227","7-Hydroxy-2-phenyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-2-phenyl-1H-quinolin-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)O","AHVIMHDOWFUQIV-UHFFFAOYSA-N",5466887,NA,"PDBC29227","644948","Present",NA,NA
+"29228","7-Hydroxy-2a,3,4,5-tetrahydrocyclohepta[cd][1]benzofuran-6(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-2a,3,4,5-tetrahydrocyclohepta[cd][1]benzofuran-6(2H)-one",NA,"C1CC2COC3=C2C(=C(C=C3)O)C(=O)C1","ZVQWOUKRMWTTAE-UHFFFAOYSA-N",361614,NA,"PDBC29228","624799","Present",NA,NA
+"29229","7-Hydroxy-3,3a,4,5-tetrahydrobenzo[de]chromen-6(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-3,3a,4,5-tetrahydrobenzo[de]chromen-6(2H)-one",NA,"C1CC(=O)C2=C(C=CC3=C2C1CCO3)O","TZALMNNSFJJQCG-UHFFFAOYSA-N",361613,NA,"PDBC29229","624798","Present",NA,NA
+"29230","7-Hydroxy-3,4,8b-trimethyl-1,3a-dihydropyrrolo[2,3-b]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[2,3-b]indole-2-one, 1,2,3,3a-tetrahydro-5-hydrox...",NA,"CC12CC(=O)N(C1N(C3=C2C=C(C=C3)O)C)C","OUOZACPLMOXOSK-UHFFFAOYSA-N",368806,NA,"PDBC29230","640071","Present",NA,NA
+"29231","7-Hydroxy-3,4-dimethyl-1H-quinolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(1H)-Quinolinone, 7-hydroxy-3,4-dimethyl-",NA,"CC1=C(C(=O)NC2=C1C=CC(=C2)O)C","RXBXOOULDWYQMY-UHFFFAOYSA-N",5470367,NA,"PDBC29231","700279","Present",NA,NA
+"29232","7-Hydroxy-4,6-diiodo-3,3a,7,7a-tetrahydro-2H-thieno[3',4':4,5]cyclopenta[1,2-d][1,3]oxazol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-9,11-diiodo-5-oxa-10-thia-3-azatricyclo[6.3.0.02,6]undeca-1(11),8-dien-4-one",NA,"C12C(C3=C(SC(=C3C1O)I)I)NC(=O)O2","SZYJBEJSJAOHDJ-UHFFFAOYSA-N",392083,NA,"PDBC29232","691897","Present",NA,NA
+"29233","7-Hydroxy-4,8-dimethyl-2H-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-dimethylumbelliferone",NA,"CC1=CC(=O)OC2=C1C=CC(=C2C)O","MVMMGVPSTRNMSV-UHFFFAOYSA-N",5356597,NA,"PDBC29233","62131","Present",NA,NA
+"29234","7-Hydroxy-4-methyl-8-pentanoyl-2H-1-benzopyran-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-4-methyl-8-pentanoyl-2H-1-benzopyran-2-one",NA,"CCCCC(=O)C1=C(C=CC2=C1OC(=O)C=C2C)O","VOOBHYNGKGPJRX-UHFFFAOYSA-N",5355215,NA,"PDBC29234","29117","Present",NA,NA
+"29235","7-Hydroxy-4-methyl-8-piperidin-1-ylmethyl-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_002431",NA,"CC1=CC(=O)OC2=C1C=CC(=C2CN3CCCCC3)O","DIJMIZCQAHRDQL-UHFFFAOYSA-N",5360358,NA,"PDBC29235","108768","Present",NA,NA
+"29236","7-Hydroxy-5-methyl-3-phenyl-thiazolo[4,5-d]pyrimidin-2-one hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-5-methyl-3-phenyl-thiazolo[4,5-d]pyrimidin-2-one hydrazone",NA,"CC1=NC2=C(C(=O)N1)SC(=NN)N2C3=CC=CC=C3","FDBVLTQSLHLNBZ-VBKFSLOCSA-N",135499348,NA,"PDBC29236","653411","Present",NA,NA
+"29237","7-Hydroxy-6-benzyl-1,2,3-trihydroindolizin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indolizin-5-one, 2,3-dihydro-7-hydroxy-6-benzyl-",NA,"C1CC2=CC(=C(C(=O)N2C1)CC3=CC=CC=C3)O","ORZIYCYODHTTOR-UHFFFAOYSA-N",54687028,NA,"PDBC29237","645428","Present",NA,NA
+"29238","7-Hydroxy-6-methoxy-1,2-benzoxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-6-methoxy-1,2-(4H)-benzoxazine-4-one",NA,"COC1=C(C=C2C(=C1)C(=O)C=NO2)O","GOEADOVAWDHEBK-UHFFFAOYSA-N",393915,NA,"PDBC29238","696886","Present",NA,NA
+"29239","7-Hydroxy-6-methoxy-3,4-dihydroisoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6NSL0GBQ6T",NA,"COC1=C(C=C2C=NCCC2=C1)O","UQBWYWCIBNWMPI-UHFFFAOYSA-N",363043,NA,"PDBC29239","627589","Present",NA,NA
+"29240","7-Hydroxy-6-pentanoyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-6-pentanoyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one",NA,"CCCCC(=O)C1=C(N=C2N(C1=O)C=CS2)O","ULQVDWHTPZCPTJ-UHFFFAOYSA-N",135409170,NA,"PDBC29240","663552","Present",NA,NA
+"29241","7-Hydroxy-8-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-8-[[2-methyl-4-[(2-methylphenyl)diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonic acid",NA,"CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O)C","MGOSORQIYUOFSQ-UHFFFAOYSA-N",413230,NA,"PDBC29241","45601","Present",NA,NA
+"29242","7-Hydroxy-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-8-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid",NA,"C1=CC(=CC2=C1C=CC(=C2N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)O)S(=O)(=O)O","MNWZRTYAQWJKPK-UHFFFAOYSA-N",414378,NA,"PDBC29242","58048","Present",NA,NA
+"29243","7-Hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-8-[[4-[4-[(2-hydroxy-8-sulfonaphthalen-1-yl)diazenyl]phenyl]sulfonylphenyl]diazenyl]naphthalene-1-sulfonic acid",NA,"C1=CC2=C(C(=C1)S(=O)(=O)O)C(=C(C=C2)O)N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N=NC5=C(C=CC6=C5C(=CC=C6)S(=O)(=O)O)O","XQDXOBGAFYLUDL-UHFFFAOYSA-N",223984,NA,"PDBC29243","12129","Present",NA,NA
+"29244","7-Hydroxy-DL-tryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-tryptophan",NA,"C1=CC2=C(C(=C1)O)NC=C2CC(C(=O)O)N","VQSRKJZICBNQJG-UHFFFAOYSA-N",2763071,NA,"PDBC29244","740813","Present",NA,NA
+"29245","7-Hydroxy-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-3-methyl-4-oxo-4H-chromene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxy-N-(2-(hydroxy(oxido)amino)-4-methoxyphenyl)-3-methyl-4-oxo-4H-chromene-2-carboxamide",NA,"CC1=C(OC2=C(C1=O)C=CC(=C2)O)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]","DOVKYDWWMKJBQG-UHFFFAOYSA-N",5465232,NA,"PDBC29245","642058","Present",NA,NA
+"29246","7-Hydroxychlorpromazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-ocpz",NA,"CN(C)CCCN1C2=C(C=C(C=C2)O)SC3=C1C=C(C=C3)Cl","HICFFJZGXWEIHN-UHFFFAOYSA-N",16414,NA,"PDBC29246","131053","Present",NA,NA
+"29247","7-Hydroxycostunolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3a...",NA,"CC1=CCCC(=CC2C(CC1)(C(=C)C(=O)O2)O)C","AZKRCCHLNBJNOK-HZAIZTQPSA-N",5471440,NA,"PDBC29247","711176","Present",NA,NA
+"29248","7-Hydroxydihydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5(2H)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxydihydro-1H,5H-[1,2,4]triazolo[1,2-a][1,2,4]triazole-1,3,5(2H)-trione",NA,"C1(NC(=O)N2N1C(=O)NC2=O)O","KPLHEIHNRIXGJW-UHFFFAOYSA-N",363511,NA,"PDBC29248","628443","Present",NA,NA
+"29249","7-Hydroxyl-6-chloro-coumarin-4-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Hydroxyl-6-chloro-coumarin-4-acetic acid",NA,"C1=C(C2=CC(=C(C=C2OC1=O)O)Cl)CC(=O)O","WJZFYWJXEWRWAG-UHFFFAOYSA-N",5465258,NA,"PDBC29249","642906","Present",NA,NA
+"29250","7-Imino-1,7a-dimethyl-3-oxo-2-phenyl-pyrazolo[4,3-b]pyridine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Imino-1,7a-dimethyl-3-oxo-2-phenyl-pyrazolo[3,4-e]pyridine-6-carbonitrile",NA,"CC12C(=N)C(=CN=C1C(=O)N(N2C)C3=CC=CC=C3)C#N","FIZLMCRFDUSPGS-UHFFFAOYSA-N",390256,NA,"PDBC29250","687548","Present",NA,NA
+"29251","7-Imino-1,7a-dimethyl-6-(4-methylbenzoyl)-2-phenyl-pyrazolo[4,3-b]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Imino-1,7a-dimethyl-6-(4-methylbenzoyl)-2-phenyl-pyrazolo[4,3-b]pyridin-3-one",NA,"CC1=CC=C(C=C1)C(=O)C2=CN=C3C(=O)N(N(C3(C2=N)C)C)C4=CC=CC=C4","CCYWDLDLIDRBRA-UHFFFAOYSA-N",390263,NA,"PDBC29251","687555","Present",NA,NA
+"29252","7-Imino-N,N-dimethylphenothiazin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Imino-N,N-dimethylphenothiazin-3-amine",NA,"CN(C)C1=CC2=C(C=C1)N=C3C=CC(=N)C=C3S2","HMYISFASHDWPMO-UHFFFAOYSA-N",435683,NA,"PDBC29252","374111","Present",NA,NA
+"29253","7-Mercapto-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Mercapto-3-phenyl-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione",NA,"C1=CC=C(C=C1)N2C3=C(C(N=CN3)S)SC2=S","VNNUNZJDZBXRHC-UHFFFAOYSA-N",373689,NA,"PDBC29253","650581","Present",NA,NA
+"29254","7-Methoxy-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-1,2,3,4-tetrahydro-5H-1,4-diazepin-5-one",NA,"COC1=CC(=O)NCCN1","IMYLZOHOVSFEDT-UHFFFAOYSA-N",371091,NA,"PDBC29254","645037","Present",NA,NA
+"29255","7-Methoxy-1,2-dimethyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-1,2-dimethyl-8-nitro-1,3,4,9-tetrahydropyrido[3,4-b]indole",NA,"CC1C2=C(CCN1C)C3=C(N2)C(=C(C=C3)OC)[N+](=O)[O-]","YSUHODIMYOYCEO-UHFFFAOYSA-N",363618,NA,"PDBC29255","628647","Present",NA,NA
+"29256","7-Methoxy-1,5,6,9,13-pentamethyldibenzo[b,j][1,7]phenanthroline-8,14(5H,13H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-1,5,6,9,13-pentamethyl-5H,13H-dibenzo[b,j] phe...",NA,"CC1=C2C(=CC=C1)N(C3=C(C(=C4C(=C3C2=O)N(C5=CC=CC(=C5C4=O)C)C)OC)C)C","UVOSCSFGSZGFNT-UHFFFAOYSA-N",378823,NA,"PDBC29256","662141","Present",NA,NA
+"29257","7-Methoxy-1,8,9,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-1,8,9,9a-tetrahydrophenanthro[4,5-bcd]furan-3(2H)-one",NA,"COC1=C2CCC3CCC(=O)C4=C3C2=C(O4)C=C1","LLXKFPDBYOGIIU-UHFFFAOYSA-N",361658,NA,"PDBC29257","624876","Present",NA,NA
+"29258","7-Methoxy-1-(3-methoxybenzyl)-2-methylisoquinolinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-1-(3-methoxybenzyl)-2-methylisoquinolinium iodide",NA,"C[N+]1=C(C2=C(C=CC(=C2)OC)C=C1)CC3=CC(=CC=C3)OC.[I-]","WVWFNWBNPHGPPU-UHFFFAOYSA-M",371191,NA,"PDBC29258","645244","Present",NA,NA
+"29259","7-Methoxy-1-[(E)-2-phenylethenyl]-9H-beta-carboline--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-1-[(E)-2-phenylethenyl]-9H-pyrido[3,4-b]indole;hydrochloride",NA,"COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C=CC4=CC=CC=C4.Cl","FVIOLEPSRVIOFI-HCUGZAAXSA-N",54606219,NA,"PDBC29259","94265","Present",NA,NA
+"29260","7-Methoxy-1-methyl-8-nitro-2-[(4-nitrophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-1-methyl-8-nitro-2-[(4-nitrophenyl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole",NA,"CC1C2=C(CCN1CC3=CC=C(C=C3)[N+](=O)[O-])C4=C(N2)C(=C(C=C4)OC)[N+](=O)[O-]","FGHOGSVXOHWIFY-UHFFFAOYSA-N",363620,NA,"PDBC29260","628649","Present",NA,NA
+"29261","7-Methoxy-1-methyl-8-nitro-4,9-dihydro-3H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-1-methyl-8-nitro-4,9-dihydro-3H-pyrido[3,4-b]indole",NA,"CC1=NCCC2=C1NC3=C2C=CC(=C3[N+](=O)[O-])OC","XYJUSDKNMGLBEZ-UHFFFAOYSA-N",363623,NA,"PDBC29261","628652","Present",NA,NA
+"29262","7-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CN1C2=C(C3=C1C4=C(C=C3)C(=O)C=CC4=O)C(=CC=C2)OC","VTXNAXJBVPSYNE-UHFFFAOYSA-N",373631,NA,"PDBC29262","650351","Present",NA,NA
+"29263","7-Methoxy-15,15-dimethyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-15,15-dimethyl-3-azatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaen-10-amine",NA,"CC1(C2CCC1C3=NC4=C(C=C(C=C4)OC)C(=C23)N)C","JFCPJSBCPVGAFW-UHFFFAOYSA-N",402663,NA,"PDBC29263","716849","Present",NA,NA
+"29264","7-Methoxy-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3(11),4(9),5,7,13,15(19)-heptaen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-16,18-dioxa-2-azapentacyclo[11.7.0.03,11.04,9.015,19]icosa-1(20),3(11),4(9),5,7,13,15(19)-heptaen-12-one",NA,"COC1=CC2=C(C=C1)C3=C(C2)C(=O)C4=CC5=C(C=C4N3)OCO5","RLPJHDJYTOUYGB-UHFFFAOYSA-N",374409,NA,"PDBC29264","652119","Present",NA,NA
+"29265","7-Methoxy-2,4-dimethyl[1,8]naphthyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-2,4-dimethyl[1,8]naphthyridine",NA,"CC1=CC(=NC2=C1C=CC(=N2)OC)C","IRKWQEIYQZYEPP-UHFFFAOYSA-N",274155,NA,"PDBC29265","119969","Present",NA,NA
+"29266","7-Methoxy-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-2,5-diphenylpyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione",NA,"COC1=CC2=C(C=C1)NC3=C2C(=CC4=C3C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6","IZGXHTJXRTYOSU-UHFFFAOYSA-N",371269,NA,"PDBC29266","645328","Present",NA,NA
+"29267","7-Methoxy-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinoxalin e 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinox...",NA,"COC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CS3)C(F)(F)F)[O-]","AQWVDTQWUZDZLY-UHFFFAOYSA-N",23635524,NA,"PDBC29267","729178","Present",NA,NA
+"29268","7-Methoxy-2-(trichloromethyl)chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766467",NA,"COC1=CC2=C(C=C1)C(=O)C=C(O2)C(Cl)(Cl)Cl","LPLSLEOFBMPIFG-UHFFFAOYSA-N",871153,NA,"PDBC29268","766467","Present",NA,NA
+"29269","7-Methoxy-2-phenyl-quinolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinolinol, 7-methoxy-2-phenyl-",NA,"COC1=CC2=C(C=C1)C(=O)C=C(N2)C3=CC=CC=C3","JZVUAOCDNFNSGQ-UHFFFAOYSA-N",289743,NA,"PDBC29269","151980","Present",NA,NA
+"29270","7-Methoxy-2-sulfanylidene-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-2-sulfanylidene-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5(10),6,8-tetraen-13-one",NA,"COC1=CC2=C(C=C1)NC3=C2CC(=S)N4CCCC(C4)CC3=O","KVYAYJSACSASPU-UHFFFAOYSA-N",393325,NA,"PDBC29270","694990","Present",NA,NA
+"29271","7-Methoxy-3,4,4a,9a-tetrahydro-1H-fluorene-2,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-3,4,4a,9a-tetrahydro-1H-fluorene-2,9-dione",NA,"COC1=CC2=C(C=C1)C3CCC(=O)CC3C2=O","FZZWEJOHMLNMPL-UHFFFAOYSA-N",372282,NA,"PDBC29271","647340","Present",NA,NA
+"29272","7-Methoxy-3-(1-naphthyl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-3-(1-naphthyl)-2-benzofuran-1(3H)-one",NA,"COC1=CC=CC2=C1C(=O)OC2C3=CC=CC4=CC=CC=C43","PPYKPCGHMJNMEO-UHFFFAOYSA-N",362076,NA,"PDBC29272","625598","Present",NA,NA
+"29273","7-Methoxy-3-(4-methoxyphenyl)-2-pyridin-3-yl-2,3-dihydrochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-3-(4-methoxyphenyl)-2-(pyridin-3-yl)-2,3-dihydro-4H-chromen-4-one",NA,"COC1=CC=C(C=C1)C2C(OC3=C(C2=O)C=CC(=C3)OC)C4=CN=CC=C4","QBKCEPIJQDHOSD-UHFFFAOYSA-N",381879,NA,"PDBC29273","669142","Present",NA,NA
+"29274","7-Methoxy-3-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-3-(7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazol-3-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole",NA,"COC1=CC2=C(C=C1)C3=C(CC2)C(=NO3)C4=NOC5=C4CCC6=C5C=CC(=C6)OC","LZKSUVYQWLNVJV-UHFFFAOYSA-N",340667,NA,"PDBC29274","371688","Present",NA,NA
+"29275","7-Methoxy-3-(7-methoxy-4-oxo-chromen-3-yl)selanyl-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-3-(7-methoxy-4-oxo-chromen-3-yl)selanyl-chromen-4-one",NA,"COC1=CC2=C(C=C1)C(=O)C(=CO2)[Se]C3=COC4=C(C3=O)C=CC(=C4)OC","SVGUFHZIOXAHAW-UHFFFAOYSA-N",374557,NA,"PDBC29275","652532","Present",NA,NA
+"29276","7-Methoxy-3-methyl-3-methylsulfanyl-5-nitro-indolin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-3-methyl-3-methylsulfanyl-5-nitro-indolin-2-one",NA,"CC1(C2=C(C(=CC(=C2)[N+](=O)[O-])OC)NC1=O)SC","XRTBRFNUYYOUGC-UHFFFAOYSA-N",393318,NA,"PDBC29276","694983","Present",NA,NA
+"29277","7-Methoxy-3-oxa-6,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,7,9,11-pentaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy[1,3]oxazolo[3,2-c]pyrrolo[3,2-e]pyrimidine",NA,"COC1=NC2=NC=CC2=C3N1C=CO3","IBGUGVJDZRPQMG-UHFFFAOYSA-N",364481,NA,"PDBC29277","630813","Present",NA,NA
+"29278","7-Methoxy-3-phenyl-2-pyridin-3-yl-2,3-dihydrochromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-3-phenyl-2-(pyridin-3-yl)-2,3-dihydro-4H-chromen-4-one",NA,"COC1=CC2=C(C=C1)C(=O)C(C(O2)C3=CN=CC=C3)C4=CC=CC=C4","BCPRALJNRUBHRE-UHFFFAOYSA-N",381878,NA,"PDBC29278","669141","Present",NA,NA
+"29279","7-Methoxy-3-phenyl-2-quinoxalinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-3-phenyl-2-quinoxalinol",NA,"COC1=CC2=C(C=C1)N=C(C(=O)N2)C3=CC=CC=C3","MEZKKDLCWHEHDC-UHFFFAOYSA-N",383935,NA,"PDBC29279","672891","Present",NA,NA
+"29280","7-Methoxy-4-methyl-6-nitrochromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000462",NA,"CC1=CC(=O)OC2=CC(=C(C=C12)[N+](=O)[O-])OC","WDTSLGKXQQQGGL-UHFFFAOYSA-N",326959,NA,"PDBC29280","299879","Present",NA,NA
+"29281","7-Methoxy-4-methyl-8-[6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-4-methyl-8-[6-phenyl-4-(3,4,5-trimethoxyphenyl)-2-pyridyl]chromen-2-one",NA,"CC1=CC(=O)OC2=C1C=CC(=C2C3=CC(=CC(=N3)C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC)OC","RUEHFXYXGMVEPS-UHFFFAOYSA-N",388292,NA,"PDBC29281","682933","Present",NA,NA
+"29282","7-Methoxy-5,11-dimethyl-10H-pyrido[3,4-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-5,11-dimethyl-10H-pyrido[3,4-b]carbazole",NA,"CC1=C2C=CN=CC2=C(C3=C1C4=C(N3)C=CC(=C4)OC)C","FADZDHSBHUCMGW-UHFFFAOYSA-N",379120,NA,"PDBC29282","663334","Present",NA,NA
+"29283","7-Methoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-5-methylsulfanyl-2-thia-4,6,10,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3,5,7,11,13,15-heptaen-9-ol",NA,"COC1=C2C(N3C4=CC=CC=C4N=C3SC2=NC(=N1)SC)O","CZSXMGDPBCWTFJ-UHFFFAOYSA-N",399936,NA,"PDBC29283","711088","Present",NA,NA
+"29284","7-Methoxy-5-oxo-2,3,10,10a-tetrahydro-5H-[1,3]oxazolo[3,2-b]isoquinoline-10-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-5-oxo-2,3,10,10a-tetrahydro-5H-[1,3]oxazolo[3,2-b]isoquinoline-10-carboxylic acid",NA,"COC1=CC2=C(C=C1)C(C3N(C2=O)CCO3)C(=O)O","AOJTZPDTBSZALY-UHFFFAOYSA-N",365560,NA,"PDBC29284","633321","Present",NA,NA
+"29285","7-Methoxy-5-oxo-8-[3-(9-oxo-9,2H,3H,5H-bezo[e]pyrrolo[1,2-a][1,4]d iazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-5-oxo-8-[3-(9-oxo-9,10-dihydro-4-acridinylcarb...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCNC(=O)C4=CC=CC5=C4NC6=CC=CC=C6C5=O","GPLZHBAZQDPOEZ-SFHVURJKSA-N",10029773,NA,"PDBC29285","725983","Present",NA,NA
+"29286","7-Methoxy-8-(3-4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-benzo [d]imidazol-2-yl]phenoxypropoxy)-(11aS)-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-8-(3-4-[6-(4-methylhexahydro-1-pyrazinyl)-1H-b...",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC=C(C=C4)OCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC","AQHPQTMEIVSAKL-VWLOTQADSA-N",10326157,NA,"PDBC29286","727931","Present",NA,NA
+"29287","7-Methoxy-8-(4-2-methoxy-4-[(10-oxo-9,10-dihydro-9-nthracenyliden)methyl]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-8-(4-2-methoxy-4-[(10-oxo-9,10-dihydro-9-nthra...",NA,"COC1=C(C=CC(=C1)C=C2C3=CC=CC=C3C(=O)C4=CC=CC=C42)OCCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC","RPDVVSQGCUDZGT-UHFFFAOYSA-N",45029072,NA,"PDBC29287","745355","Present",NA,NA
+"29288","7-Methoxy-8-{3-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromenyl)he xahydro-1-pyrazinyl]propoxy}-(11aS)-2,5,11a-tetrahydro-1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-8-{3-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromeny...",NA,"CC1=C(C=CC2=C1OC(=O)C=C2N3CCN(CC3)CCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","ZSALECXXXJJTOC-NRFANRHFSA-N",16113135,NA,"PDBC29288","735797","Present",NA,NA
+"29289","7-Methoxy-8-{4-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromenyl) hexahydro-1-pyrazinyl]pentoxy-(11aS)-2,5,11a-tetrahydro 1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-8-{4-[4-(7-metoxy-8-methyl-2-oxo-2H-4-chromeny...",NA,"CC1=C(C=CC2=C1OC(=O)C=C2N3CCN(CC3)CCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","ZJTCPJOZIYGGHO-QHCPKHFHSA-N",16113137,NA,"PDBC29289","735798","Present",NA,NA
+"29290","7-Methoxy-8-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1-pyrazinyl]pentoxy-(11aS)-2,5,11a-tetrahydro-1H-benzo[e] pyrrolo[1,2-a][1,4]diazepine-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-8-{5-[4-(2-oxo-2H-4-chromenyl)hexahydro-1- pyr...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4CCN(CC4)C5=CC(=O)OC6=CC=CC=C65","DFFSZOLPRQTKJP-QFIPXVFZSA-N",16040331,NA,"PDBC29290","735799","Present",NA,NA
+"29291","7-Methoxy-9H-furo[2,3-b]quinoline-3,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Dihydro-7-methoxy-3-oxofuroquinol-4-one",NA,"COC1=CC2=C(C=C1)C(=O)C3=C(N2)OCC3=O","MZTLCNSWGBNAPC-UHFFFAOYSA-N",393789,NA,"PDBC29291","696554","Present",NA,NA
+"29292","7-Methoxy-N-(2-((2-(((7-methoxy-1-methyl-1H-benzo[g]indol-3-yl)carbonyl)amino)ethyl)(methyl)amino)ethyl)-1-methyl-1H-benzo[g]indole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-N-[2-[2-[(7-methoxy-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide",NA,"CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)OC)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)OC)C","ANSOMLSHMKCSIY-UHFFFAOYSA-N",395029,NA,"PDBC29292","699191","Present",NA,NA
+"29293","7-Methoxy-N-(3-((3-(((7-methoxy-1-methyl-1H-benzo[g]indol-3-yl)carbonyl)amino)propyl)(methyl)amino)propyl)-1-methyl-1H-benzo[g]indole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-N-[3-[3-[(7-methoxy-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide",NA,"CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)OC)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)OC)C","RBSJGTGRXKVMCE-UHFFFAOYSA-N",395030,NA,"PDBC29293","699192","Present",NA,NA
+"29294","7-Methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-4-methylquinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxy-N-[(E)-(4-methoxynaphthalen-1-yl)methylideneamino]-4-methylquinolin-2-amine",NA,"CC1=CC(=NC2=C1C=CC(=C2)OC)NN=CC3=CC=C(C4=CC=CC=C34)OC","UXTPIEAVVBFYIV-ZVHZXABRSA-N",9555471,NA,"PDBC29294","332402","Present",NA,NA
+"29295","7-Methoxycoumarin-4-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mca-OH",NA,"COC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O","ZEKAXIFHLIITGV-UHFFFAOYSA-N",342221,NA,"PDBC29295","378137","Present",NA,NA
+"29296","7-Methoxyfuro[2,3-b]quinolin-4(9H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methoxyfuro[2,3-b]quinol-4-one",NA,"COC1=CC2=C(C=C1)C(=O)C3=C(N2)OC=C3","KYQQCEHDCLFPRJ-UHFFFAOYSA-N",393788,NA,"PDBC29296","696553","Present",NA,NA
+"29297","7-Methoxyisoindolo[1,2-a]quinoxalin-4(5H)one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxyisoindolo[1,2-a]quinoxalin-4(5H)one",NA,"COC1=CC2=C(C=C1)N3C=C4C=CC=CC4=C3C(=O)N2","MKSBPJHYGYRHHG-UHFFFAOYSA-N",24205092,NA,"PDBC29297","734237","Present",NA,NA
+"29298","7-Methyl-1,2,3-benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636098",NA,"CC1=CC=CC2=NS[S+]=C12.[Cl-]","QJMOTOHOXCXPTR-UHFFFAOYSA-M",366934,NA,"PDBC29298","636098","Present",NA,NA
+"29299","7-Methyl-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-1,3,10-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-2(6),7,9,11,13,15-hexaene-8-carbonitrile",NA,"CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4)C#N","OAICRPUTUZUKJY-UHFFFAOYSA-N",377278,NA,"PDBC29299","658531","Present",NA,NA
+"29300","7-Methyl-1-((4-methylphenyl)sulfonyl)imidazo[1,2-a]pyrimidin-5(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-1-((4-methylphenyl)sulfonyl)imidazo[1,2-a]pyrimidin-5(1H)-one",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=CN3C2=NC(=CC3=O)C","LWQVWICVZWCCSY-UHFFFAOYSA-N",377285,NA,"PDBC29300","658538","Present",NA,NA
+"29301","7-Methyl-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,"CC1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4F)F","AADYPVFVJHGZAN-UHFFFAOYSA-N",385622,NA,"PDBC29301","676947","Present",NA,NA
+"29302","7-Methyl-1-oxacycloundec-9-yne-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyloxacycloundec-9-yne-2,6-dione",NA,"CC1CC#CCOC(=O)CCCC1=O","KYFIMMHNHSRTKU-UHFFFAOYSA-N",360882,NA,"PDBC29302","623588","Present",NA,NA
+"29303","7-Methyl-10,11-methylenedioxy-20(S)-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-10,11-methylenedioxy-20(S)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)C)O","BGMKTSYQDUAZFJ-QFIPXVFZSA-N",468672,NA,"PDBC29303","673594","Present",NA,NA
+"29304","7-Methyl-13,13a-dihydro-9H-[1,3]thiazolo[4,3-c][1,2,4]triazolo[4,3-a][1,4]benzodiazepine-9-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"15-Methyl-9-thia-2,4,5,11-tetrazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(13),3,5,14,16-pentaene-12-thione",NA,"CC1=CC2=C(C=C1)N3C=NN=C3C4CSCN4C2=S","BHGVRVDHQMPXGC-UHFFFAOYSA-N",388519,NA,"PDBC29304","683503","Present",NA,NA
+"29305","7-Methyl-2,4,4-tris(phenylsulfonyl)bicyclo[4.2.0]oct-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2,4,4-tris(phenylsulfonyl)bicyclo[4.2.0]oct-1-ene",NA,"CC1CC2=C(CC(CC12)(S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","GVZLKVWZCOHZIN-UHFFFAOYSA-N",373293,NA,"PDBC29305","649445","Present",NA,NA
+"29306","7-Methyl-2-(1-piperidinylmethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(1-piperidinylmethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,"CC1=CC(=O)N2C(=N1)SC(=N2)CN3CCCCC3","YXOIBJWBDIXRSD-UHFFFAOYSA-N",385797,NA,"PDBC29306","677191","Present",NA,NA
+"29307","7-Methyl-2-(1-piperidylmethyl)pyrido[1,2-a]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(1-piperidylmethyl)pyrido[1,2-a]pyrimidin-4-one",NA,"CC1=CN2C(=NC(=CC2=O)CN3CCCCC3)C=C1","ILGQMUKEXZUNBU-UHFFFAOYSA-N",390351,NA,"PDBC29307","687687","Present",NA,NA
+"29308","7-Methyl-2-(2,5-dimethyl-3-thienyl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(2,5-dimethyl-3-thienyl)-1,8-naphthyridine-4(1H)-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=C(SC(=C3)C)C","MPOCYEDDQCUTMA-UHFFFAOYSA-N",5470413,NA,"PDBC29308","701191","Present",NA,NA
+"29309","7-Methyl-2-(2-thienyl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(2-thienyl)-1,8-naphthyridine-4(1H)-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=CS3","LZTBFZWKSHKFNC-UHFFFAOYSA-N",5470411,NA,"PDBC29309","701189","Present",NA,NA
+"29310","7-Methyl-2-(3,4,5-trihydroxy-6-oxoxanthen-9-yl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methyl-3-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)bicyc...",NA,"CC1C2C=CC1C(C2C3=C4C=CC(=O)C(=C4OC5=C3C=CC(=C5O)O)O)C(=O)O","BSAMRWOMXJWVCE-UHFFFAOYSA-N",274125,NA,"PDBC29310","119913","Present",NA,NA
+"29311","7-Methyl-2-(3-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 7-methyl-2-(3-methyl-2-thien...",NA,"CC1=C(SC=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)C","PAARUIKEXNWGTD-UHFFFAOYSA-N",5470410,NA,"PDBC29311","701188","Present",NA,NA
+"29312","7-Methyl-2-(3-methylbenzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(3-methylbenzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=C(C4=CC=CC=C4S3)C","YYWOOVGOMGHNOU-UHFFFAOYSA-N",5470949,NA,"PDBC29312","706463","Present",NA,NA
+"29313","7-Methyl-2-(3-thienyl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(3-thienyl)-1,8-naphthyridine-4(1H)-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CSC=C3","YDMOCWCIGJOTHE-UHFFFAOYSA-N",5470412,NA,"PDBC29313","701190","Present",NA,NA
+"29314","7-Methyl-2-(4-nitrophenyl)-3,6,12,14-tetraoxatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),9,11(15)-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(4-nitrophenyl)-3,6,12,14-tetraoxatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),9,11(15)-triene",NA,"CC12CC3=CC4=C(C=C3C1(OCCO2)C5=CC=C(C=C5)[N+](=O)[O-])OCO4","CTDADBHYUADXAE-UHFFFAOYSA-N",404209,NA,"PDBC29314","720376","Present",NA,NA
+"29315","7-Methyl-2-(5-chloro-2-thienyl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(5-chloro-2-thienyl)-1,8-naphthyridine-4(1H)-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(S3)Cl","MNNFLOIBRFNAKA-UHFFFAOYSA-N",5470414,NA,"PDBC29315","701192","Present",NA,NA
+"29316","7-Methyl-2-(5-methyl-2-thienyl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 7-methyl-2-(5-methyl-2-thien...",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(S3)C","VMNGOZCAFUKTMO-UHFFFAOYSA-N",5470409,NA,"PDBC29316","701187","Present",NA,NA
+"29317","7-Methyl-2-(5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(5-phenylthiophen-2-yl)-1H-1,8-naphthyridin-4-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC=C(S3)C4=CC=CC=C4","VLBKMOGBALWCFG-UHFFFAOYSA-N",5470947,NA,"PDBC29317","706461","Present",NA,NA
+"29318","7-Methyl-2-(benzo[b]thiophene-2-yl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Naphthyridin-4(1H)-one, 2-(benzo[b]thiophen-2-yl)-7-...",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CC4=CC=CC=C4S3","CIAZHGARPWZJCQ-UHFFFAOYSA-N",5470950,NA,"PDBC29318","706464","Present",NA,NA
+"29319","7-Methyl-2-(benzo[b]thiophene-3-yl)-1,8-naphthyridine-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(benzo[b]thiophene-3-yl)-1,8-naphthyridine-4(1H)-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)C3=CSC4=CC=CC=C43","GINJZDYIUXFIFH-UHFFFAOYSA-N",5470948,NA,"PDBC29319","706462","Present",NA,NA
+"29320","7-Methyl-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinoxaline 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methyl-2-(thien-2-ylcarbonyl)-3-trifluoromethylquinoxa...",NA,"CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CS3)C(F)(F)F)[O-]","PCLVZBNCZUCIMY-UHFFFAOYSA-N",23635523,NA,"PDBC29320","729177","Present",NA,NA
+"29321","7-Methyl-2-(thiophen-2-ylmethyl)-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(2-thienylmethyl)-1h-1,8-naphthyridin-4-one",NA,"CC1=NC2=C(C=C1)C(=O)C=C(N2)CC3=CC=CS3","JBTRCYLMXADDNX-UHFFFAOYSA-N",397852,NA,"PDBC29321","706465","Present",NA,NA
+"29322","7-Methyl-2-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,"CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NNC(=S)S3","SMSXLUPENSZBPL-UHFFFAOYSA-N",3005142,NA,"PDBC29322","677192","Present",NA,NA
+"29323","7-Methyl-2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-(((5-(methylthio)-1,3,4-thiadiazol-2-yl)thio)methyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,"CC1=CC(=O)N2C(=N1)SC(=N2)CSC3=NN=C(S3)SC","MVXKUMQDJOFOAN-UHFFFAOYSA-N",385799,NA,"PDBC29323","677193","Present",NA,NA
+"29324","7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-m-tolyl-1H-[1,8]naphthyridin-4-one",NA,"CC1=CC(=CC=C1)C2=CC(=O)C3=C(N2)N=C(C=C3)C","WHANICGPAJMUTA-UHFFFAOYSA-N",5468782,NA,"PDBC29324","676188","Present",NA,NA
+"29325","7-Methyl-2-oxo-6-thioxo-1,2,3,6-tetrahydropurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-oxo-6-thioxo-1,2,3,6-tetrahydropurine",NA,"CN1C=NC2=C1C(=S)NC(=O)N2","BVJKWTIGJVUGCY-UHFFFAOYSA-N",3667907,NA,"PDBC29325","618276","Present",NA,NA
+"29326","7-Methyl-2-phenyl-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-phenyl-5,6-dihydro-4h-pyrrolo[2,3-d]pyridazin-4-one",NA,"CC1=NNC(=O)C2=C1NC(=C2)C3=CC=CC=C3","HGVQNLXDFPQOHV-UHFFFAOYSA-N",135426723,NA,"PDBC29326","711310","Present",NA,NA
+"29327","7-Methyl-2-phenylpyrido[1,2-a]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-phenyl-4H-pyrido[1,2-a]pyrimidin-4-one",NA,"CC1=CN2C(=NC(=CC2=O)C3=CC=CC=C3)C=C1","XAJJRVMNUNCIMO-UHFFFAOYSA-N",377422,NA,"PDBC29327","658865","Present",NA,NA
+"29328","7-Methyl-2-thioxo-3,6,7,8-tetrahydro-1H-[1,3]thiazino[3,2-a]purin-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-2-thioxo-3,6,7,8-tetrahydro-1H-[1,3]thiazino[3,2-a]purin-10-one",NA,"CC1CN2C(=O)C3=C(NC(=S)N3)N=C2SC1","IDMAVHKHEWUJPY-UHFFFAOYSA-N",3004518,NA,"PDBC29328","658169","Present",NA,NA
+"29329","7-Methyl-3,3-di(1-naphthyl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-3,3-di(1-naphthyl)-2-benzofuran-1(3H)-one",NA,"CC1=C2C(=CC=C1)C(OC2=O)(C3=CC=CC4=CC=CC=C43)C5=CC=CC6=CC=CC=C65","XACLMDHBNPYJIR-UHFFFAOYSA-N",362082,NA,"PDBC29329","625605","Present",NA,NA
+"29330","7-Methyl-3-(1,2,3,5-thiatriazol-4-yl)-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-3-(1,2,3,5-thiatriazol-4-yl)-1H-1,8-naphthyridin-4-one",NA,"CC1=NC2=C(C=C1)C(=O)C(=CN2)C3=NSN=N3","PBUYLDNLGXBRKS-UHFFFAOYSA-N",135426673,NA,"PDBC29330","706815","Present",NA,NA
+"29331","7-Methyl-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1H-1,8-naphthyridin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-1H-1,8-naphthyridin-4-one",NA,"CC1=NC2=C(C=C1)C(=O)C(=CN2)C3=NNC(=S)S3","OANIEMQAPAOSRH-UHFFFAOYSA-N",135426674,NA,"PDBC29331","706816","Present",NA,NA
+"29332","7-Methyl-3-(4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-3-(4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)-2-benzofuran-1(3H)-one",NA,"CC1=C2CC(C(=O)C2=CC=C1)C3C4=CC=CC(=C4C(=O)O3)C","SSBSVRYQAXLVGH-UHFFFAOYSA-N",385689,NA,"PDBC29332","677035","Present",NA,NA
+"29333","7-Methyl-3-(4-morpholinyl)-5-phenyl-5H-pyrazolo[3,4-e][1,2,4]triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-3-(4-morpholinyl)-5-phenyl-5H-pyrazolo[3,4-e][1,2,4]triazine",NA,"CC1=NN(C2=C1N=NC(=N2)N3CCOCC3)C4=CC=CC=C4","UOJDYDVSARLXAC-UHFFFAOYSA-N",363951,NA,"PDBC29333","629485","Present",NA,NA
+"29334","7-Methyl-3-(4-nitrophenyl)-4-oxo-6-phenylpyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-3-(4-nitrophenyl)-4-oxo-6-phenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4","ZDRAFTRNCIWGHA-UHFFFAOYSA-N",398633,NA,"PDBC29334","708783","Present",NA,NA
+"29335","7-Methyl-3-[2-(2-nitrophenyl)hydrazinyl]indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole-2,3-dione, 7-methyl-, 3-[(o-nitrophenyl)hydrazone]",NA,"CC1=C2C(=CC=C1)C(=C(N2)O)N=NC3=CC=CC=C3[N+](=O)[O-]","FAQZWVGKJYEPQA-UHFFFAOYSA-N",3693487,NA,"PDBC29335","117917","Present",NA,NA
+"29336","7-Methyl-3-[2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Bis(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethane",NA,"CC1=CC2=NN=C(N2C=C1)CCC3=NN=C4N3C=CC(=C4)C","YZJYQGRMFVKPAP-UHFFFAOYSA-N",327606,NA,"PDBC29336","303530","Present",NA,NA
+"29337","7-Methyl-3-[2-methyl-3-(7-methyl-4-oxo-8-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazin-3-yl)phenyl]-8-phenyl-pyrazolo[5,1-d][1,2,3,5]tetrazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-3-[2-methyl-3-(7-methyl-4-oxo-8-phenylpyrazolo[5,1-d][1,2,3,5]tetrazin-3-yl)phenyl]-8-phenylpyrazolo[5,1-d][1,2,3,5]tetrazin-4-one",NA,"CC1=C(C=CC=C1N2C(=O)N3C(=C(C(=N3)C)C4=CC=CC=C4)N=N2)N5C(=O)N6C(=C(C(=N6)C)C7=CC=CC=C7)N=N5","QOOYVEKSTHORBJ-UHFFFAOYSA-N",362684,NA,"PDBC29337","626915","Present",NA,NA
+"29338","7-Methyl-3-phenyl-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-3-phenyl-N-(3,4,5-trimethoxyphenyl)-2-quinoxalinamine",NA,"CC1=CC2=C(C=C1)N=C(C(=N2)NC3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4","MCVPJAKVKADPKQ-UHFFFAOYSA-N",374164,NA,"PDBC29338","651633","Present",NA,NA
+"29339","7-Methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-4-oxo-3,6-diphenyl-pyrrolo[2,1-d][1,2,3,5]tetrazine-8-carbonitrile",NA,"CC1=C(N2C(=C1C#N)N=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4","CWLBHIMBKQEBAE-UHFFFAOYSA-N",396109,NA,"PDBC29339","701657","Present",NA,NA
+"29340","7-Methyl-4H-thieno[2,3-b]pyridine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-4H-thieno[2,3-b]pyridine-5-carboxamide",NA,"CN1C=C(CC2=C1SC=C2)C(=O)N","VPQYBXPNUXSAFC-UHFFFAOYSA-N",366368,NA,"PDBC29340","634744","Present",NA,NA
+"29341","7-Methyl-5-oxo-benzimidazolo[1,2-a]quinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z734296158",NA,"CN1C2=CC=CC=C2N3C1=C(C(=O)C4=CC=CC=C43)C#N","XRQNYPHNZPECFW-UHFFFAOYSA-N",391673,NA,"PDBC29341","691215","Present",NA,NA
+"29342","7-Methyl-5-thioxo-benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-5-thioxo-benzimidazolo[1,2-a][1,8]naphthyridine-6-carbonitrile",NA,"CN1C2=CC=CC=C2N3C1=C(C(=S)C4=C3N=CC=C4)C#N","MAWSOZUGGFVOSJ-UHFFFAOYSA-N",393028,NA,"PDBC29342","694272","Present",NA,NA
+"29343","7-Methyl-6-nitro-6a,11b-dihydrobenzo[c]carbazole-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-6-nitro-6a,11b-dihydrobenzo[c]carbazole-1,4-diol",NA,"CN1C2C(C3=CC=CC=C31)C4=C(C=CC(=C4C=C2[N+](=O)[O-])O)O","FBORASWGOQAZHS-UHFFFAOYSA-N",5132626,NA,"PDBC29343","704288","Present",NA,NA
+"29344","7-Methyl-8-nitro-1-phenyl-triazolo[1,2-a]benzotriazol-4-ium-5-ide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-8-nitro-1-phenyl-triazolo[1,2-a]benzotriazol-4-ium-5-ide",NA,"CC1=CC2=C(C=C1[N+](=O)[O-])N3C(=C[N-][N+]3=N2)C4=CC=CC=C4","QOYGMTRTOCNLBY-UHFFFAOYSA-N",393147,NA,"PDBC29344","694560","Present",NA,NA
+"29345","7-Methyl-8-phenylmethoxy-1,4-dioxaspiro[4.5]decane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-8-phenylmethoxy-1,4-dioxaspiro[4.5]decane",NA,"CC1CC2(CCC1OCC3=CC=CC=C3)OCCO2","CVSNBODVZRBWGU-UHFFFAOYSA-N",359576,NA,"PDBC29345","620568","Present",NA,NA
+"29346","7-Methyl-N-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-N-(4-methyl-2-sulfanylidene-1,3-thiazol-3-yl)-4-oxo-1H-1,8-naphthyridine-3-carboxamide",NA,"CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)NN3C(=CSC3=S)C","OZPRTYGUUOXTPA-UHFFFAOYSA-N",5470959,NA,"PDBC29346","706818","Present",NA,NA
+"29347","7-Methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-N-phenyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,"CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","TWCCUNNTUQFHLR-UHFFFAOYSA-N",381387,NA,"PDBC29347","667927","Present",NA,NA
+"29348","7-Methyl-coumarin-4-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methyl-coumarin-4-acetic acid",NA,"CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)O","VDQLZKYCWITDPF-UHFFFAOYSA-N",370162,NA,"PDBC29348","642904","Present",NA,NA
+"29349","7-Methylbenzimidazolo[1,2-a][1,8]naphthyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methylbenzimidazolo[1,2-a][1,8]naphthyridin-5-one",NA,"CN1C2=CC=CC=C2N3C1=CC(=O)C4=C3N=CC=C4","ZTXBZVLHPPQVJS-UHFFFAOYSA-N",395234,NA,"PDBC29349","699709","Present",NA,NA
+"29350","7-Methylbenzopentathiepin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methylbenzopentathiepin",NA,"CC1=CC2=C(C=C1)SSSSS2","UCLBADMPOHUZHA-UHFFFAOYSA-N",399255,NA,"PDBC29350","709943","Present",NA,NA
+"29351","7-Methylcoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methylcoumarin",NA,"CC1=CC2=C(C=C1)C=CC(=O)O2","DLHXRDUXNVEIEY-UHFFFAOYSA-N",17131,NA,"PDBC29351","19511","Present",NA,NA
+"29352","7-Methylenebicyclo[3.2.0]heptane-1-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methylenebicyclo[3.2.0]heptane-1-carbaldehyde",NA,"C=C1CC2C1(CCC2)C=O","INQACIDBOKVKKE-UHFFFAOYSA-N",372313,NA,"PDBC29352","647372","Present",NA,NA
+"29353","7-Methylenebicyclo[3.3.1]nonan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZOEABCSXGLYIIV-UHFFFAOYSA-N",NA,"C=C1CC2CC(C1)CC(C2)O","ZOEABCSXGLYIIV-UHFFFAOYSA-N",361984,NA,"PDBC29353","625462","Present",NA,NA
+"29354","7-Methylisonoracronycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methylisonoracronycin",NA,"CC1=C2C(=CC=C1)N(C3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)C","SYFUQHSRSVYVOC-UHFFFAOYSA-N",378824,NA,"PDBC29354","662142","Present",NA,NA
+"29355","7-Methyljuglone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ramentaceone///7-methyljuglone",NA,"CC1=CC2=C(C(=O)C=CC2=O)C(=C1)O","OZUSCVSONBBWOR-UHFFFAOYSA-N",26905,NA,"PDBC29355","208733///624625","Present",NA,NA
+"29356","7-Methylnaphthalen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DNCGBNFOSLTQQB-UHFFFAOYSA-N",NA,"CC1=CC2=C(C=C1)C=CC(=C2)O","DNCGBNFOSLTQQB-UHFFFAOYSA-N",259190,NA,"PDBC29356","88876","Present",NA,NA
+"29357","7-Methylpyreno[1,2-b]pyran-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methylpyreno[1,2-b]pyran-9-one",NA,"CC1=CC(=O)OC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4","LWOPPQJPSYURKO-UHFFFAOYSA-N",361187,NA,"PDBC29357","624116","Present",NA,NA
+"29358","7-Nitro-1,2,4-benzotriazin-3-amine 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-1,2,4-benzotriazin-3-amine-1,4-dioxide",NA,"C1=CC2=C(C=C1[N+](=O)[O-])[N+](=NC(=[N+]2[O-])N)[O-]","OJMWWLBHDZZSMF-UHFFFAOYSA-N",135427573,NA,"PDBC29358","623606","Present",NA,NA
+"29359","7-Nitro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-1-(2,6-difluorophenyl)-1H,3H-thiazolo[3,4-a]benzimidazole",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4F)F)C=C(C=C3)[N+](=O)[O-]","NWGWIRRSIXWBBQ-UHFFFAOYSA-N",384825,NA,"PDBC29359","675277","Present",NA,NA
+"29360","7-Nitro-1-benzoxepine-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-1-benzoxepine-3,5-dione",NA,"C1C(=O)COC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]","QKTQPRBTMNLASN-UHFFFAOYSA-N",379143,NA,"PDBC29360","663422","Present",NA,NA
+"29361","7-Nitro-1-phenyl-9H-pyrido[3,4-b]indol-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-1-phenyl-9H-pyrido[3,4-b]indol-6-amine",NA,"C1=CC=C(C=C1)C2=NC=CC3=C2NC4=CC(=C(C=C34)N)[N+](=O)[O-]","DSFXMBPEZWDCGA-UHFFFAOYSA-N",3708091,NA,"PDBC29361","620318","Present",NA,NA
+"29362","7-Nitro-2,4,9-tetrahydrothiazolo[2,3:2',3']pyrimido[5,6-b]indol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-2,3,4,9-tetrahydrothiazolo[2,3:2',3']pyrimido[5,...",NA,"C1CSC2=NC3=C(C4=C(N3)C=C(C=C4)[N+](=O)[O-])C(=O)N21","JOBSFLYRDVVKGH-UHFFFAOYSA-N",24205301,NA,"PDBC29362","734976","Present",NA,NA
+"29363","7-Nitro-2-[4-(7-nitro-3-oxo-4,9-dihydrofuro[3,2-b]quinoxalin-2-yl)phenyl]-4,9-dihydrofuro[3,2-b]quinoxalin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-2-[4-(7-nitro-3-oxo-4,9-dihydrofuro[3,2-b]quinoxalin-2-yl)phenyl]-4,9-dihydrofuro[3,2-b]quinoxalin-3-one",NA,"C1=CC(=CC=C1C2C(=O)C3=C(O2)NC4=C(N3)C=CC(=C4)[N+](=O)[O-])C5C(=O)C6=C(O5)NC7=C(N6)C=CC(=C7)[N+](=O)[O-]","LFAVZZKNQFFBAI-UHFFFAOYSA-N",5086250,NA,"PDBC29363","372295","Present",NA,NA
+"29364","7-Nitro-3-trifluoroacetamido-1,2,4-benzotriazine 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-3-trifluoroacetamido-1,2,4-benzotriazine 1-oxide",NA,"C1=CC2=C(C=C1[N+](=O)[O-])[N+](=NC(=N2)NC(=O)C(F)(F)F)[O-]","STOFILPYCPTKFT-UHFFFAOYSA-N",6711497,NA,"PDBC29364","628909","Present",NA,NA
+"29365","7-Nitro-4,10,15-trioxa-3,5-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-4,10,15-trioxa-3,5-diazatricyclo[7.6.0.02,6]pentadeca-1(9),2,5,7-tetraene",NA,"C1CCOC2=C(C=C(C3=NON=C23)[N+](=O)[O-])OC1","WIMLVTXEMBEACG-UHFFFAOYSA-N",379727,NA,"PDBC29365","664701","Present",NA,NA
+"29366","7-Nitro-4-(1-oxidopyridin-1-ium-2-yl)sulfanyl-2,1,3-benzoxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzofurazan, 4-nitro-7-(2-pyridinylthio)-, N-oxide",NA,"C1=CC=[N+](C(=C1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-])[O-]","ICCFXXDUYSPKOL-UHFFFAOYSA-N",313619,NA,"PDBC29366","228155","Present",NA,NA
+"29367","7-Nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-4-(7H-purin-6-ylsulfanyl)-2,1,3-benzoxadiazole",NA,"C1=C(C2=NON=C2C(=C1)SC3=NC=NC4=C3NC=N4)[N+](=O)[O-]","WPEZIZWVHZBGSL-UHFFFAOYSA-N",4982876,NA,"PDBC29367","348402","Present",NA,NA
+"29368","7-Nitro-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-one oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-6,7-dihydro-5H-2,1,3-benzoxadiazol-4-one oxime",NA,"C1CC(=NO)C2=NON=C2C1[N+](=O)[O-]","APOWPKHRVVKAEE-CLTKARDFSA-N",135499457,NA,"PDBC29368","661462","Present",NA,NA
+"29369","7-Nitro-9H-fluorene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitro-9H-fluorene-2-carboxylic acid",NA,"C1C2=C(C=CC(=C2)C(=O)O)C3=C1C=C(C=C3)[N+](=O)[O-]","OJHCXHSNQPRFSN-UHFFFAOYSA-N",272395,NA,"PDBC29369","116758","Present",NA,NA
+"29370","7-Nitroimidazo[2,1-b]benzothiazole-2-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PTIUYQPSCURKID-UHFFFAOYSA-N",NA,"CCOC(=O)C1=CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=N1","PTIUYQPSCURKID-UHFFFAOYSA-N",396586,NA,"PDBC29370","703094","Present",NA,NA
+"29371","7-Nitrothieno[3,2-b]thiochromen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Nitrothieno[3,2-b]thiochromen-9-one",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=C(S2)C=CS3","GOIKLKDFDSEHJA-UHFFFAOYSA-N",268883,NA,"PDBC29371","109361","Present",NA,NA
+"29372","7-O,8-O-Isopropylidene Iriomoteolide 3a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-O,8-O-Isopropylidene Iriomoteolide 3a",NA,"CC=CCC=CC(C)CC(C1CC2C(O2)C=CC3C(C=CCC(CC(=O)O1)C)OC(O3)(C)C)O","OMPWONMEHUFMDA-QWUKNQAUSA-N",24808220,NA,"PDBC29372","753164","Present",NA,NA
+"29373","7-O-(2,6-Trideoxy-2-fluoro-alpha-L-talo-hexopyranosyl)-4-demethoxydaunomycinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-O-(2,3,6-Trideoxy-2-fluoro-.alpha.-L-talo-hexopyranosy...",NA,"CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)F)O)O","NGJXJNTVSNDJSI-WMTCIOGSSA-N",6712215,NA,"PDBC29373","659948","Present",NA,NA
+"29374","7-O-(3,3,6-Trideoxy-2-fluoro-alpha-L-talo-hexopyranosyl)-4-demethoxydaunomycinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-O-(3,4-Di-O-acetyl-2,3,6-trideoxy-2-fluoro-.alpha.-L-t...",NA,"CC1C(C(C(C(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)F)OC(=O)C)OC(=O)C","KSPIDFVFEYXKKS-FWBYHSKOSA-N",6712217,NA,"PDBC29374","659950","Present",NA,NA
+"29375","7-O-Methylepinogalarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"daunomycin compound d",NA,"CC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)OC)O","HXCSJGHKDZKLKV-RNFADZNJSA-N",6711164,NA,"PDBC29375","102815","Present",NA,NA
+"29376","7-O-beta-D-Galactosyl-befeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-O-.beta.-D-Galactosyl-befeldin A",NA,"CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)OC3C(C(C(C(O3)CO)O)O)O","WMQPIXSJUDBUIO-BZTFNWKCSA-N",5468580,NA,"PDBC29376","671928","Present",NA,NA
+"29377","7-Oxaspiro[5.9]pentadecane-1,8,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Oxaspiro[5.9]pentadecane-1,8,13-trione",NA,"C1CCC(=O)OC2(CCCCC2=O)CCC(=O)C1","WKFVGAYXXLSWRG-UHFFFAOYSA-N",391713,NA,"PDBC29377","691253","Present",NA,NA
+"29378","7-Oxo-1,2,3,5,6,7-hexahydro-s-indacene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Oxo-1,2,3,5,6,7-hexahydro-s-indacene-1-carboxylic acid",NA,"C1CC2=CC3=C(C=C2C1C(=O)O)C(=O)CC3","XADQZDDCJNESEW-UHFFFAOYSA-N",380772,NA,"PDBC29378","666482","Present",NA,NA
+"29379","7-Oxo-6-phenyl-5-oxa-12a-aza-5,6,7,12a-tetrahydrodibenzo[a,e]azulene-12-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-oxo-6-phenyl-6,7-dihydroisoindolo[1,2-d][1,5]benzoxaze...",NA,"C1=CC=C(C=C1)C2C(=O)C3=C4C=CC=CC4=C(N3C5=CC=CC=C5O2)C#N","VSOAWCCMJZQUDD-UHFFFAOYSA-N",132605216,NA,"PDBC29379","773191","Present",NA,NA
+"29380","7-Oxo-7H-4-thia-3,8-diazabenzo[de]cyclopenta[b]anthracene-5-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-oxo-6-thia-9,19-diazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),4,8,10,12(20),13,15,17-nonaene-5-carboxylate",NA,"COC(=O)C1=CC2=C(S1)C3=NC=CC4=C3C(=NC5=CC=CC=C45)C2=O","GTQVVTXGQQQEHL-UHFFFAOYSA-N",54611497,NA,"PDBC29380","706991","Present",NA,NA
+"29381","7-Oxo-7H-benzo[e]perimidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B1A8BPF5U8",NA,"C1=CC=C2C(=C1)C3=NC=NC4=C(C=CC(=C43)C2=O)C(=O)O","NARZOZMHJMTCGC-UHFFFAOYSA-N",72574,NA,"PDBC29381","84167","Present",NA,NA
+"29382","7-Oxo-phomopsolide E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-oxo-phomopsolide E",NA,"CC=C(C)C(=O)OC1C=CC(=O)OC1COC(=O)C(C)O","FKBITCOIJAFLNT-SPJFXFQZSA-N",11380976,NA,"PDBC29382","740604","Present",NA,NA
+"29383","7-Oxo-podocarpa-8,13-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-oxo-podocarpa-8,11,13-triene",NA,"CC1(CCCC2(C1CC(=O)C3=CC=CC=C32)C)C","HQVONXGPYDPEBH-OMOCHNIRSA-N",405049,NA,"PDBC29383","721893","Present",NA,NA
+"29384","7-Oxonorborna-2-ene-5,6-dicarboxylic anhydride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Oxatricyclo[5.2.1.02,6]dec-8-ene-3,5,10-trione",NA,"C1=CC2C3C(C1C2=O)C(=O)OC3=O","NUEDAEIARMYOSI-UHFFFAOYSA-N",384298,NA,"PDBC29384","673915","Present",NA,NA
+"29385","7-Oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-carboxylic acid",NA,"C1CC2=CC3=C(C=C2C1)C(=O)C4(C3)CC5=C(C4)C=C(C=C5)C(=O)O","BFHSIVYNIGBVEA-UHFFFAOYSA-N",384737,NA,"PDBC29385","674972","Present",NA,NA
+"29386","7-Oxospiro[1,2,3,5-tetrahydro-s-indacene-6,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Oxospiro[1,2,3,5-tetrahydro-s-indacene-6,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid",NA,"C1CC2=CC3=C(C=C2C1)C(=O)C4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)O","JVBHPJDVMMRBFN-UHFFFAOYSA-N",384736,NA,"PDBC29386","674971","Present",NA,NA
+"29387","7-Phenyl-18,22,29,33-tetrazaoctacyclo[16.15.0.01,6.08,17.011,16.019,32.021,30.023,28]tritriaconta-8(17),11,13,15,19,21,23,25,27,29,31-undecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Phenyl-18,22,29,33-tetrazaoctacyclo[16.15.0.01,6.08,17.011,16.019,32.021,30.023,28]tritriaconta-8(17),11,13,15,19,21,23,25,27,29,31-undecaene",NA,"C1CCC23C(C1)C(C4=C(N2C5=CC6=NC7=CC=CC=C7N=C6C=C5N3)C8=CC=CC=C8CC4)C9=CC=CC=C9","RETPDRVVZOCXCX-UHFFFAOYSA-N",378786,NA,"PDBC29387","661962","Present",NA,NA
+"29388","7-Phenyl-2,6-trihydroxyiminoadamantane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-phenyl-2,4,6-trihydroxyiminoadamantane",NA,"C1C2CC3(CC(C2=NO)C(=NO)C1C3=NO)C4=CC=CC=C4","TVUDTBXYAJWSFW-BOITUJHSSA-N",5915859,NA,"PDBC29388","666704","Present",NA,NA
+"29389","7-Phenyl-2-(2-piperidin-1-yl-ethylamino)-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Phenyl-2-(2-piperidin-1-yl-ethylamino)-7H-9-thia-1,3,5,7-tetraaza-fluoren-8-one",NA,"C1CCN(CC1)CCNC2=NC=C3C4=C(C(=O)N(C=N4)C5=CC=CC=C5)SC3=N2","BXUBJVXOFRHPDM-UHFFFAOYSA-N",394394,NA,"PDBC29389","697794","Present",NA,NA
+"29390","7-Phenyl-2-(trifluoromethyl)-3,6-dihydroimidazo[4,5-e]pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Phenyl-2-(trifluoromethyl)-3,6-dihydroimidazo[4,5-e]pyrido[3,4-b]indole",NA,"C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C5=C(C=C4)NC(=N5)C(F)(F)F","ZWLDDIQDXGULCE-UHFFFAOYSA-N",371809,NA,"PDBC29390","646275","Present",NA,NA
+"29391","7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-ylamine",NA,"C1=CC=C(C=C1)C2=C3C(=NN2)N=C(N=N3)N","SREKPZQIQWKBDH-UHFFFAOYSA-N",6399307,NA,"PDBC29391","629487","Present",NA,NA
+"29392","7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Phenyl-5H-pyrazolo[3,4-e][1,2,4]triazin-3-ol",NA,"C1=CC=C(C=C1)C2=NNC3=NC(=O)NN=C23","BMTIDQRTKUSHAS-UHFFFAOYSA-N",6399308,NA,"PDBC29392","629488","Present",NA,NA
+"29393","7-Phenyl-6,7-diazahexacyclo[11.3.2.01,11.02,10.05,9.012,14]octadeca-3,5,15,17-tetraene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Phenyl-6,7-diazahexacyclo[11.3.2.01,11.02,10.05,9.012,14]octadeca-3,5,15,17-tetraene",NA,"C1C2C3C(C=CC2=NN1C4=CC=CC=C4)C56C3C7C(C7C=C5)C=C6","YGQKBZWUJKLCJZ-UHFFFAOYSA-N",394455,NA,"PDBC29393","697929","Present",NA,NA
+"29394","7-Phenyl-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-[1,2,3]Triazolo[4,5-e]-2,1,3-benzoxadiazole, 7-phenyl-",NA,"C1=CC=C(C=C1)N2N=C3C=CC4=NON=C4C3=N2","UCJIIFNNCIAKES-UHFFFAOYSA-N",379413,NA,"PDBC29394","663955","Present",NA,NA
+"29395","7-Phenyl-8-(3,4,5-trimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-phenyl-8-(3,4,5-trimethoxybenzyl)- 5,8-dihydro-4H-isox...",NA,"COC1=CC(=CC(=C1OC)OC)CN2C(=CC3=C2C4=C(CC3)C=NO4)C5=CC=CC=C5","XTYVOPJJXNRPAC-UHFFFAOYSA-N",60148310,NA,"PDBC29395","754116","Present",NA,NA
+"29396","7-Phenyl-8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-phenyl-8-(3,5-dimethoxybenzyl)- 5,8-dihydro-4H-isoxazo...",NA,"COC1=CC(=CC(=C1)CN2C(=CC3=C2C4=C(CC3)C=NO4)C5=CC=CC=C5)OC","ZANAWRGCFBXBDU-UHFFFAOYSA-N",60148311,NA,"PDBC29396","754117","Present",NA,NA
+"29397","7-Phenylimidazo[1,2-a]pyrimidin-5(8H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-406/15578426",NA,"C1=CC=C(C=C1)C2=CC(=O)N3C=CN=C3N2","LIVRRAQTIFBFHC-UHFFFAOYSA-N",379149,NA,"PDBC29397","663550","Present",NA,NA
+"29398","7-Piperazin-1-yl-1,8-naphthyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Piperazin-1-yl-1,8-naphthyridin-2-amine",NA,"C1CN(CCN1)C2=NC3=C(C=CC(=N3)N)C=C2","BSZMBARQXRRXMK-UHFFFAOYSA-N",390346,NA,"PDBC29398","687682","Present",NA,NA
+"29399","7-Pteridinamine, 6-methyl-N-(phenylmethyl)-2-(1-piperazinyl)-4-(1-pyrrolidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Pteridinamine, 6-methyl-N-(phenylmethyl)-2-(1-piperazi...",NA,"CC1=C(N=C2C(=N1)C(=NC(=N2)N3CCNCC3)N4CCCC4)NCC5=CC=CC=C5","BTNWDRQAIZDSCJ-UHFFFAOYSA-N",403197,NA,"PDBC29399","717851","Present",NA,NA
+"29400","7-Quinolinecarboxylic acid, 2-((1E)-2-(3,4-dihydroxyphenyl)ethenyl)-8-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Quinolinecarboxylic acid, 2-((1E)-2-(3,4-dihydroxyphenyl)ethenyl)-8-hydroxy-",NA,"C1=CC2=C(C(=C1)O)N=C(C=C2)C=CC3=CC(=C(C=C3)O)O","WNDFQQZTILEGAV-QPJJXVBHSA-N",135436186,NA,"PDBC29400","711994","Present",NA,NA
+"29401","7-Sulfanyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Sulfanylidene-6H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,"C1=NN=C2N(C1=O)NC(=S)S2","RXWFDBJXNWDJNP-UHFFFAOYSA-N",5471339,NA,"PDBC29401","710584","Present",NA,NA
+"29402","7-Sulfanylchromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Sulfanylchromen-2-one",NA,"C1=CC(=CC2=C1C=CC(=O)O2)S","RKEVGXWCJYWMEX-UHFFFAOYSA-N",395495,NA,"PDBC29402","700137","Present",NA,NA
+"29403","7-Tert-Butyl-5,8-dihydroxy-3,4-dihydro-1(2H)-naphthalenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Tert-Butyl-5,8-dihydroxy-3,4-dihydro-1(2H)-naphthalenone",NA,"CC(C)(C)C1=CC(=C2CCCC(=O)C2=C1O)O","ISZCOYNVAICHNE-UHFFFAOYSA-N",361592,NA,"PDBC29403","624773","Present",NA,NA
+"29404","7-Tert-butyl-9,9,9',9'-tetrakis(trifluoromethyl)-7,7'-spirobi[8-oxa-7-silanuidabicyclo[4.3.0]nona-1,3,5-triene];tetramethylazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Tert-butyl-9,9,9',9'-tetrakis(trifluoromethyl)-7,7'-spirobi[8-oxa-7-silanuidabicyclo[4.3.0]nona-1,3,5-triene];tetramethylazanium",NA,"CC(C)(C)[Si-]12(C3=CC=CC=C3C(O1)(C(F)(F)F)C(F)(F)F)C4=CC=CC=C4C(O2)(C(F)(F)F)C(F)(F)F.C[N+](C)(C)C","FYIKPMSARTZTTL-UHFFFAOYSA-N",358630,NA,"PDBC29404","618641","Present",NA,NA
+"29405","7-[(2,3,4-Trimethoxyphenyl)methyl]benzimidazolo[1,2-a]quinolin-7-ium-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2,3,4-trimethoxybenzyl)-3-aminobenzimidazo[3,2-a]quin...",NA,"COC1=C(C(=C(C=C1)C[N+]2=C3C=CC4=C(N3C5=CC=CC=C52)C=CC(=C4)N)OC)OC","MVOCOAKCAPUOLV-UHFFFAOYSA-N",135260648,NA,"PDBC29405","788870","Present",NA,NA
+"29406","7-[(2,4-Dichlorophenyl)methyl]-4,6a-dihydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2,4-Dichlorophenyl)methyl]-4,6a-dihydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carbonitrile",NA,"CC1=C(C23C(=C(C=CC2(N1CC4=C(C=C(C=C4)Cl)Cl)O)O)C(=O)N(C3=O)C5=CC=CC=C5)C#N","FFRFLLIPNOSRAO-UHFFFAOYSA-N",54746662,NA,"PDBC29406","740843","Present",NA,NA
+"29407","7-[(2-Bromoanilino)-phenylmethyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-{[(2-Bromophenyl)amino](phenyl)methyl}quinolin-8-ol",NA,"C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=C4Br","ZTTCRWKPIONBEL-UHFFFAOYSA-N",256750,NA,"PDBC29407","84086","Present",NA,NA
+"29408","7-[(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,3-disulfonic acid",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)O)S(=O)(=O)O)O","ODOJGWXYQYRBNB-UHFFFAOYSA-N",413221,NA,"PDBC29408","45580","Present",NA,NA
+"29409","7-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-2-phenylchromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(=NO)C4=CC=C(C=C4)F","HAMDNLIOFJPNKY-QQTULTPQSA-N",24203683,NA,"PDBC29409","729150","Present",NA,NA
+"29410","7-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-3-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2E)-2-(4-Fluorophenyl)-2-hydroxyiminoethoxy]-3-phenylchromen-4-one",NA,"C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC(=NO)C4=CC=C(C=C4)F","JBAIQISLXKYHKG-DAFNUICNSA-N",24202959,NA,"PDBC29410","726391","Present",NA,NA
+"29411","7-[(2E)-2-(5-Oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2E)-2-(5-Oxooxolan-2-ylidene)ethoxy]chromen-2-one",NA,"C1CC(=O)OC1=CCOC2=CC3=C(C=C2)C=CC(=O)O3","XVVQLBLKFRGBEN-YRNVUSSQSA-N",24205382,NA,"PDBC29411","735334","Present",NA,NA
+"29412","7-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,"COC1=CC=C(C=C1)C(=NO)COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4","ZNVGPVCKFZMXRV-DAFNUICNSA-N",24203684,NA,"PDBC29412","729151","Present",NA,NA
+"29413","7-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-3-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2E)-2-Hydroxyimino-2-(4-methoxyphenyl)ethoxy]-3-phenylchromen-4-one",NA,"COC1=CC=C(C=C1)C(=NO)COC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4","ZQWGHAQDZITAKQ-LVWGJNHUSA-N",24202960,NA,"PDBC29413","726392","Present",NA,NA
+"29414","7-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2E)-2-Hydroxyimino-2-phenylethoxy]-2-phenylchromen-4-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(=NO)C4=CC=CC=C4","FEOULSRDTCPAHX-GFMRDNFCSA-N",24203682,NA,"PDBC29414","729149","Present",NA,NA
+"29415","7-[(2E)-2-Hydroxyimino-2-phenylethoxy]-3-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2E)-2-Hydroxyimino-2-phenylethoxy]-3-phenylchromen-4-one",NA,"C1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)OCC(=NO)C4=CC=CC=C4","HTIKZAXQEFXMHI-FLFQWRMESA-N",24202958,NA,"PDBC29415","726390","Present",NA,NA
+"29416","7-[(2E)-2-Methoxyiminopropoxy]-3-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2E)-2-Methoxyiminopropoxy]-3-phenylchromen-4-one",NA,"CC(=NOC)COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3","YBARNPXKIUAWTO-DEDYPNTBSA-N",24202961,NA,"PDBC29416","726393","Present",NA,NA
+"29417","7-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2Z)-2-(4-Fluorophenyl)-2-methoxyiminoethoxy]-2-phenylchromen-4-one",NA,"CON=C(COC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)C4=CC=C(C=C4)F","AXYAFZHFUIASBL-YYADALCUSA-N",24205365,NA,"PDBC29417","735316","Present",NA,NA
+"29418","7-[(2Z)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(2Z)-2-Methoxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one",NA,"COC1=CC=C(C=C1)C(=NOC)COC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4","FBRWVMFXRJICDQ-XTCLZLMSSA-N",24205366,NA,"PDBC29418","735317","Present",NA,NA
+"29419","7-[(3-Fluorophenyl)methoxy]-9-[(3-fluorophenyl)methyl]-2-[(4-fluorophenyl)methyl]-1-methylpyrido[3,4-b]indol-2-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(3-fluorobenzyl)-7-(3-fluorobenzyloxy)-2-(4-fluorobenz...",NA,"CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4=CC(=CC=C4)F)CC5=CC(=CC=C5)F)CC6=CC=C(C=C6)F","PTWVEJSQAMOHPV-UHFFFAOYSA-N",54766740,NA,"PDBC29419","760181","Present",NA,NA
+"29420","7-[(E)-2-(2-Furyl)vinyl]-2-methyl-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(E)-2-(2-Furyl)vinyl]-2-methyl-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,"CC1=NN2C(=O)C(=C(N=C2S1)C=CC3=CC=CO3)[N+](=O)[O-]","WZMNFMWWHPXWGV-SNAWJCMRSA-N",6104895,NA,"PDBC29420","677198","Present",NA,NA
+"29421","7-[(E)-2-(4-Fluorophenyl)vinyl]-2-methyl-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(E)-2-(4-Fluorophenyl)vinyl]-2-methyl-6-nitro-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one",NA,"CC1=NN2C(=O)C(=C(N=C2S1)C=CC3=CC=C(C=C3)F)[N+](=O)[O-]","MKUQGFSCXMUTBF-QPJJXVBHSA-N",5788756,NA,"PDBC29421","677197","Present",NA,NA
+"29422","7-[(E)-Dimethylaminoazo]-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(E)-Dimethylaminoazo]-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepine-5-carbaldehyde",NA,"CC1CC(=O)NC2=C(N1C=O)C=C(C=C2)N=NN(C)C","VYDUJGMWUAWQOE-UHFFFAOYSA-N",388598,NA,"PDBC29422","683607","Present",NA,NA
+"29423","7-[(Naphthalen-1-ylamino)-phenylmethyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[(Naphthalen-1-ylamino)(phenyl)methyl]quinolin-8-ol",NA,"C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC5=CC=CC=C54","YDLXQKOBCIJTTR-UHFFFAOYSA-N",256754,NA,"PDBC29423","84092","Present",NA,NA
+"29424","7-[(Z)-2-(6-Ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]-5-methylquinolin-8-ol;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-methyl-7-quinoly...",NA,"CCOC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=C(C4=C(C=CC=N4)C(=C3)C)O)C.[I-]","SKKWOFYFAZFNEG-UHFFFAOYSA-N",135534477,NA,"PDBC29424","86372","Present",NA,NA
+"29425","7-[2,2-Dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[2,2-Dimethyl-6-(trityloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-5H-pyrrolo[3,2-d]pyrimidin-4-amine",NA,"CC1(OC2C(OC(C2O1)C3=CNC4=C3N=CN=C4N)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)C","GDNMIKWGAZAXPK-UHFFFAOYSA-N",373596,NA,"PDBC29425","650075","Present",NA,NA
+"29426","7-[2-(4-Chlorophenyl)ethyl]-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[2-(4-Chlorophenyl)ethyl]-5,6-dimethyl-4,4-dioxo-1H-pyrrolo[2,3-e][1,3,4]thiadiazine-3-carbonitrile",NA,"CC1=C(N(C2=C1S(=O)(=O)C(=NN2)C#N)CCC3=CC=C(C=C3)Cl)C","CZITXXIWQYEWME-UHFFFAOYSA-N",392821,NA,"PDBC29426","693798","Present",NA,NA
+"29427","7-[2-(Diethylamino)ethoxy]-3-(4-methoxyphenyl)-4-phenyl-2h-chromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[2-(Diethylamino)ethoxy]-3-(4-methoxyphenyl)-4-phenyl-2h-chromen-2-one",NA,"CCN(CC)CCOC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)OC)C4=CC=CC=C4","SRPNFNKUZFCGIQ-UHFFFAOYSA-N",265976,NA,"PDBC29427","102845","Present",NA,NA
+"29428","7-[2-(Diethylamino)ethylsulfanyl]-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(2-Diethylaminoethylsulfanyl)-5-imino-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione",NA,"CCN(CC)CCSC1=NC2=C(C(=N)N1C3=CC=CC=C3)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5","PNNPNHLEFUOCGE-UHFFFAOYSA-N",396734,NA,"PDBC29428","703444","Present",NA,NA
+"29429","7-[2-[(5-Chloro-1-methyl-6-oxo-pyridazin-4-yl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[2-[(5-Chloro-1-methyl-6-oxo-pyridazin-4-yl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNC3=C(C(=O)N(N=C3)C)Cl","GMCDTCCLPVHDCL-UHFFFAOYSA-N",387904,NA,"PDBC29429","682136","Present",NA,NA
+"29430","7-[2-[Cyclohexyl(methyl)amino]ethyl]-1,3-dimethylxanthine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[2-[Cyclohexyl(methyl)amino]ethyl]-1,3-dimethylxanthine",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCN(C)C3CCCCC3","CABVCHSHFCSWNL-UHFFFAOYSA-N",216339,NA,"PDBC29430","677635","Present",NA,NA
+"29431","7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-imidazo[4,5-d]triazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Imidazo[4,5-d]-v-triazin-4-one, 3,7-dihydro-7-.beta.-...",NA,"C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=NNC2=O","LSMBOEFDMAIXTM-UHFFFAOYSA-N",135452424,NA,"PDBC29431","158901","Present",NA,NA
+"29432","7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-thieno[3,4-d]pyrimidine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3H-thieno[3,4-d]pyrimidine-4-thione",NA,"C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)NC=NC2=S","WNIQCHQWBKTBCU-UHFFFAOYSA-N",3005067,NA,"PDBC29432","670036","Present",NA,NA
+"29433","7-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-(3-methylbut-2-enylamino)pyrrolo[2,3-d]pyrimidine-5-carbonitrile",NA,"CC(=CCNC1=C2C(=CN(C2=NC=N1)C3C(C(C(O3)CO)O)O)C#N)C","TXNNQVGUHWYSSM-UHFFFAOYSA-N",289018,NA,"PDBC29433","150412","Present",NA,NA
+"29434","7-[3-(4-Methylpiperazin-1-yl)propyl]-5-phenyl-10-thia-2,3,4,7,12-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11(16),12,14-hexaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[3-(4-Methylpiperazin-1-yl)propyl]-5-phenyl-10-thia-2,3,4,7,12-pentazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11(16),12,14-hexaen-8-one",NA,"CN1CCN(CC1)CCCN2C3=C(N=NN3C4=C(C2=O)SC5=C4C=CC=N5)C6=CC=CC=C6","OUJOJRCSAYLTBO-UHFFFAOYSA-N",60148350,NA,"PDBC29434","754172","Present",NA,NA
+"29435","7-[3-(Cyanomethyl)-4-methylpiperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[3-(Cyanomethyl)-4-methyl-piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid",NA,"CN1CCN(CC1CC#N)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F","XXITWLIIUOXLSG-UHFFFAOYSA-N",376891,NA,"PDBC29435","658027","Present",NA,NA
+"29436","7-[3-(Dimethylamino)-2-methylpropyl]sulfanyl-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[3-(Dimethylamino)-2-methylpropyl]sulfanyl-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione",NA,"CC(CN(C)C)CSC1=NC2=C(C(=N)N1C3=CC=CC=C3)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5","DRQIPGIMYLZASW-UHFFFAOYSA-N",396738,NA,"PDBC29436","703448","Present",NA,NA
+"29437","7-[3-(Dimethylamino)propylsulfanyl]-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-Dimethylaminopropylsulfanyl)-5-imino-1,3,6-triphenyl-pyrimido[5,4-e]pyrimidine-2,4-dithione",NA,"CN(C)CCCSC1=NC2=C(C(=N)N1C3=CC=CC=C3)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5","YJQVXHUAHNHGNJ-UHFFFAOYSA-N",396737,NA,"PDBC29437","703447","Present",NA,NA
+"29438","7-[3-[2-[3-(7-Hydroxyhept-5-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]hept-2-yn-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[3-[2-[3-(7-Hydroxyhept-5-ynoxy)prop-1-ynyl]phenyl]prop-2-ynoxy]hept-2-yn-1-ol",NA,"C1=CC=C(C(=C1)C#CCOCCCCC#CCO)C#CCOCCCCC#CCO","MIJIUSNZWWXXBI-UHFFFAOYSA-N",24204212,NA,"PDBC29438","730973","Present",NA,NA
+"29439","7-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propylsulfanyl]-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[3-[4-(3-Chlorophenyl)piperazin-1-yl]propylsulfanyl]-5-imino-1,3,6-triphenylpyrimido[4,5-d]pyrimidine-2,4-dithione",NA,"C1CN(CCN1CCCSC2=NC3=C(C(=N)N2C4=CC=CC=C4)C(=S)N(C(=S)N3C5=CC=CC=C5)C6=CC=CC=C6)C7=CC(=CC=C7)Cl","XHQPORMUYBMPOJ-UHFFFAOYSA-N",396740,NA,"PDBC29439","703450","Present",NA,NA
+"29440","7-[3-[4--(4-Fluorophenyl-1-piperazinyl]2-hydroxypropoxy]-2,2-dimethylbenzofuran hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[3-[4--(4-Fluorophenyl-1-piperazinyl]2-hydroxypropoxy]...",NA,"CC1(CC2=C(O1)C(=CC=C2)OCC(CN3CCN(CC3)C4=CC=C(C=C4)F)O)C.Cl","AVHVACFYYHTFQJ-UHFFFAOYSA-N",24204251,NA,"PDBC29440","731115","Present",NA,NA
+"29441","7-[4-(2-Hydroxyethyl)piperazin-1-yl]-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[4-(2-Hydroxyethyl)piperazin-1-yl]-10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-11-carboxylic acid",NA,"C1CN(CCN1CCO)C2=CC3=C4C(=C2)SCCN4C=C(C3=O)C(=O)O","GXFCQEKUIXNUFP-UHFFFAOYSA-N",358191,NA,"PDBC29441","618068","Present",NA,NA
+"29442","7-[4-(3,4-Dimethoxybenzoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[4-(3,4-Dimethoxybenzoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one",NA,"COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CO4)OC","QRLZVRPHUMJNBF-UHFFFAOYSA-N",393052,NA,"PDBC29442","694336","Present",NA,NA
+"29443","7-[4-(4-Methoxybenzoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[4-(4-Methoxybenzoyl)piperazin-1-yl]-4H-1,4-benzoxazin-3-one",NA,"COC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC4=C(C=C3)NC(=O)CO4","MZRXIKNSJHGRAC-UHFFFAOYSA-N",393051,NA,"PDBC29443","694335","Present",NA,NA
+"29444","7-[4-(Dimethylamino)-2,1,3-benzoselenadiazol-7-yl]-N,N-dimethyl-2,1,3-benzoselenadiazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[4-(Dimethylamino)-2,1,3-benzoselenadiazol-7-yl]-N,N-dimethyl-2,1,3-benzoselenadiazol-4-amine",NA,"CN(C)C1=CC=C(C2=N[Se]N=C12)C3=CC=C(C4=N[Se]N=C34)N(C)C","FDAJYKOMUMEFHC-UHFFFAOYSA-N",385095,NA,"PDBC29444","676030","Present",NA,NA
+"29445","7-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3-[(2-nitrophenyl)methyl]imidazo[4,5-d]triazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-nitrophenyl)methyl]imidazo[4,5-d]triazin-4-one",NA,"C1C(C(OC1N2C=NC3=C2N=NN(C3=O)CC4=CC=CC=C4[N+](=O)[O-])CO)O","PQTBTUFOKXIBRS-UHFFFAOYSA-N",390776,NA,"PDBC29445","688541","Present",NA,NA
+"29446","7-[4-[(3-Amino-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-7-yl)oxy]butyl]-1,3-dimethylpurine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[4-[(3-Amino-1,4-dioxido-1,2,4-benzotriazine-1,4-diium-7-yl)oxy]butyl]-1,3-dimethylpurine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCOC3=CC4=C(C=C3)[N+](=C(N=[N+]4[O-])N)[O-]","WPHHOPYGROZWOY-UHFFFAOYSA-N",135409232,NA,"PDBC29446","670994","Present",NA,NA
+"29447","7-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]-4H-1,4-benzoxazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]-4H-1,4-benzoxazin-3-one",NA,"C1CN(CCN1C2=CC3=C(C=C2)NC(=O)CO3)C4=CC=CC(=C4)C(F)(F)F","ANQBYKZRGBKZKF-UHFFFAOYSA-N",393054,NA,"PDBC29447","694338","Present",NA,NA
+"29448","7-[4-[[(3Z)-3-[4-Amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-chloro-2-oxo-indolin-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[4-[[(3Z)-3-[4-Amino-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-yl]imino-5-chloro-2-oxoindol-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid",NA,"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4C5=C(C=C(C=C5)Cl)C(=NC6=NC=C(C(=N6)N)CC7=CC(=C(C(=C7)OC)OC)OC)C4=O)F)C(=O)O","NHAYDCQKWSASQT-SWYSEXKRSA-N",9572280,NA,"PDBC29448","710111","Present",NA,NA
+"29449","7-[4-[[(3Z)-5-Chloro-2-oxo-3-(pyridine-4-carbonylhydrazono)indolin-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxo-quinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[4-[[5-Chloro-2-hydroxy-3-(pyridine-4-carbonyldiazenyl)indol-1-yl]methyl]piperazin-1-yl]-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxylic acid",NA,"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CN4C5=C(C=C(C=C5)Cl)C(=C4O)N=NC(=O)C6=CC=NC=C6)F)C(=O)O","NJNICGKSEKXTIQ-UHFFFAOYSA-N",399393,NA,"PDBC29449","710112","Present",NA,NA
+"29450","7-[4-[[4-(4-Bromophenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-(4-(4-bromophenyl)thiazol-2-ylcarbamoyl)piperazin-1...",NA,"C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NC5=NC(=CS5)C6=CC=C(C=C6)Br)F)C(=O)O","JYHBLCUTFFJFRI-UHFFFAOYSA-N",155815711,NA,"PDBC29450","803320","Present",NA,NA
+"29451","7-[4-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-(N-(4-(4-chlorophenyl)thiazol-2-yl)-N-ethylcarbamoy...",NA,"CCN(C1=NC(=CS1)C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","AWDHVIHZFBXINI-UHFFFAOYSA-N",155815354,NA,"PDBC29451","797011","Present",NA,NA
+"29452","7-[4-[[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]carbamoyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-((4-(4-chlorophenyl)thiazol-2-yl)carbamoyl)piperazi...",NA,"C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)NC5=NC(=CS5)C6=CC=C(C=C6)Cl)F)C(=O)O","AJEMQBPSTNNWDD-UHFFFAOYSA-N",155808942,NA,"PDBC29452","783682","Present",NA,NA
+"29453","7-[5-(3-Chloro-4-fluorophenyl)furan-2-yl]-3-[(4-chlorophenyl)methyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[5-(3-Chloro-4-fluorophenyl)furan-2-yl]-3-[(4-chlorophenyl)methyl]-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one",NA,"C1=CC(=CC=C1CC2=NN=C3N(C2=O)N=C(S3)C4=CC=C(O4)C5=CC(=C(C=C5)F)Cl)Cl","HJOSOBRZSWCEAK-UHFFFAOYSA-N",400796,NA,"PDBC29453","713302","Present",NA,NA
+"29454","7-[6-[5-[(2,4-Difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]quinolin-4-yl]-N-hydroxyhept-6-ynamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(6-(5-(2,4-difluorophenylsulfonamido)-6-methoxypyridin...",NA,"COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCCCCC(=O)NO)NS(=O)(=O)C4=C(C=C(C=C4)F)F","HEXJQWUHJDNJFJ-UHFFFAOYSA-N",155813265,NA,"PDBC29454","783229","Present",NA,NA
+"29455","7-[6-[5-[(2,4-Difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]quinolin-4-yl]hept-6-ynoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(6-(5-(2,4-difluorophenylsulfonamido)-6-methoxypyridin-3-yl)quinolin-4-yl)hept-6-ynoic acid",NA,"COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCCCCC(=O)O)NS(=O)(=O)C4=C(C=C(C=C4)F)F","HBUGRNRXSFNZNC-UHFFFAOYSA-N",155812288,NA,"PDBC29455","783230","Present",NA,NA
+"29456","7-[Bis(2-hydroxyethyl)amino]-1-ethyl-1,8-naphthyridin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[Bis(2-hydroxyethyl)amino]-1-ethyl-1,8-naphthyridin-2-one",NA,"CCN1C(=O)C=CC2=C1N=C(C=C2)N(CCO)CCO","RPENWGRTACAKPS-UHFFFAOYSA-N",388901,NA,"PDBC29456","684133","Present",NA,NA
+"29457","7-[Phenyl(pyridin-2-ylamino)methyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_000429",NA,"C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=N4","WHPVVFZPXKODBB-UHFFFAOYSA-N",256756,NA,"PDBC29457","84094","Present",NA,NA
+"29458","7-[Phenyl-(quinolin-8-ylamino)methyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinol, 7-[.alpha.-(8-quinolylamino)benzyl]-",NA,"C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC5=C4N=CC=C5","RBSPENDGIMQZGB-UHFFFAOYSA-N",256758,NA,"PDBC29458","84096","Present",NA,NA
+"29459","7-[[(2E)-3,7-Dimethyl-6-oxo-7-hydroxy-2-octenyl]oxy]coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[[(2E)-3,7-Dimethyl-6-oxo-7-hydroxy-2-octenyl]oxy]coumarin",NA,"CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)CCC(=O)C(C)(C)O","YSRYKTUWDVLRLA-JLHYYAGUSA-N",5358858,NA,"PDBC29459","286307","Present",NA,NA
+"29460","7-[[(3S,4R)-3-Fluoropiperidin-4-yl]methyl]-2-[(Z)-indazol-3-ylidenemethyl]-6-methoxy-1-benzofuran-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-2-((1H-indazol-3-yl)methylene)-7-(((3S,4R)-3-fluorop...",NA,"COC1=C(C2=C(C=C1)C(=C(O2)C=C3C4=CC=CC=C4N=N3)O)CC5CCNCC5F","NHUDNHXURSBRHK-UJPVDPKUSA-N",155809188,NA,"PDBC29460","787771","Present",NA,NA
+"29461","7-[alpha-[(4-Methyl-2-pyridyl)amino]benzyl]-8-quinolinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[.ALPHA.-[(4-METHYL-2-PYRIDYL)AMINO]BENZYL]-8-QUINOLINOL",NA,"CC1=CC(=NC=C1)NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O","PKUYZMYEHWGCMG-UHFFFAOYSA-N",219566,NA,"PDBC29461","1014","Present",NA,NA
+"29462","7-alpha-Amino-brefeldin A hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-.alpha.-Amino-brefeldin A hydrochloride",NA,"CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)N.Cl","FTWCTKUHLFMWGZ-HJUXGNKPSA-N",24202488,NA,"PDBC29462","671437","Present",NA,NA
+"29463","7-beta-D-Ribofuranosyl-4-oxo-3H-thieno-[3,4-d]pyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-.beta.-D-Ribofuranosyl-4-oxo-3H-thieno-[3,4-d]pyrimidine",NA,"C1=C2C(=C(S1)C3C(C(C(O3)CO)O)O)N=CNC2=O","UDETWAIEMXXFKP-UHFFFAOYSA-N",135580413,NA,"PDBC29463","735827","Present",NA,NA
+"29464","7-diphenylphosphoryl-10-phenyl-spiro[4.5]dec-9-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-diphenylphosphoryl-10-phenyl-spiro[4.5]dec-9-ene",NA,"C1CCC2(C1)CC(CC=C2C3=CC=CC=C3)P(=O)(C4=CC=CC=C4)C5=CC=CC=C5","JAOHHUSNVAIBDV-UHFFFAOYSA-N",364918,NA,"PDBC29464","631805","Present",NA,NA
+"29465","7-fluoro-3-trifluoromethyl-6-piperazinyl-2-propanoylquio...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-fluoro-3-trifluoromethyl-6-piperazinyl-2-propanoylquio...",NA,"CCC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)N3CCNCC3)[O-])C(F)(F)F","UIXJAOUOYJRQCU-UHFFFAOYSA-N",24205716,NA,"PDBC29465","736448","Present",NA,NA
+"29466","7-hydroxy-3,4'-dimethoxy flavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-hydroxy-3,4'-dimethoxy flavone",NA,"COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C=C3)O)OC","MEDOAKSPIIOKFU-UHFFFAOYSA-N",5378518,NA,"PDBC29466","123383","Present",NA,NA
+"29467","7-{[2-(Dimethylamino)ethyl]amino}-5-imino-1,6-triphenyl-5,6-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-{[2-(dimethylamino)ethyl]amino}-5-imino-1,3,6-tripheny...",NA,"CN(C)CCN=C1N=C2C(=C(N1C3=CC=CC=C3)N)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5","RXAIWAWRKCHFOA-UHFFFAOYSA-N",45029397,NA,"PDBC29467","746683","Present",NA,NA
+"29468","7-{[3-(Dibutylamino)propyl]amino}-5-imino-1,6-triphenyl-5,6-dihydropyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-{[3-(dibutylamino)propyl]amino}-5-imino-1,3,6-tripheny...",NA,"CCCCN(CCCC)CCCN=C1N=C2C(=C(N1C3=CC=CC=C3)N)C(=S)N(C(=S)N2C4=CC=CC=C4)C5=CC=CC=C5","IGBCYCNBGRBOKC-UHFFFAOYSA-N",45029398,NA,"PDBC29468","746684","Present",NA,NA
+"29469","7152AD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7152AD",NA,"CC1=C(C(=O)N(N1)C(=N)N)CCO","BUUBDDAVRQDZCO-UHFFFAOYSA-N",380618,NA,"PDBC29469","666293","Present",NA,NA
+"29470","7153AD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7153AD",NA,"C1CCC2=C(C1)C(=O)N(N2)C(=N)N","JSUZAXZCHGYTBO-UHFFFAOYSA-N",379747,NA,"PDBC29470","664719","Present",NA,NA
+"29471","7E-Mycosinyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K4097///Santolina polyacetylene 18",NA,"CC#CC#CC=C1C=CC2(O1)C(C=CO2)OC(=O)C","XQVRVLVORPSYNU-NTUHNPAUSA-N",5458646,NA,"PDBC29471","302308///626608","Present",NA,NA
+"29472","7H,8H-Diphenaleno[1,2-b:2',1'-d]furan-7,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oxaheptacyclo[16.7.1.15,9.02,16.04,15.022,26.013,27]heptacosa-1(25),2(16),4(15),5,7,9(27),10,12,18,20,22(26),23-dodecaene-14,17-dione",NA,"C1=CC2=C3C(=C1)C4=C(C5=C(O4)C6=CC=CC7=C6C(=CC=C7)C5=O)C(=O)C3=CC=C2","BSKLBGYJSOVFNV-UHFFFAOYSA-N",363310,NA,"PDBC29472","628129","Present",NA,NA
+"29473","7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine-3-methanamine, N-(4-chlorophenyl)-6-(2,4-dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylene]-, (7Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Chloro-N-[[(7Z)-6-(2,4-dichloro-5-fluorophenyl)-7-[(3,4-dimethoxyphenyl)methylidene]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]methyl]aniline",NA,"COC1=C(C=C(C=C1)C=C2C(=NN3C(=NN=C3S2)CNC4=CC=C(C=C4)Cl)C5=CC(=C(C=C5Cl)Cl)F)OC","PGHOGYJHWIXBAR-RMORIDSASA-N",5471729,NA,"PDBC29473","713320","Present",NA,NA
+"29474","7H-1,3,7-Triaza-2-thia-as-indacene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-1,3,7-Triaza-2-thia-as-indacene",NA,"C1=C2C=NC=C2C3=NSNC3=C1","HOPSMIMDQWNCNX-UHFFFAOYSA-N",385100,NA,"PDBC29474","676035","Present",NA,NA
+"29475","7H-1,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3,3'-(1,8-octanediyl)bis[6-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-1,2,4-Triazolo[3,4-b][1,3,4]thiadiazine, 3,3'-(1,8-oc...",NA,"C1C(=NN2C(=NN=C2S1)CCCCCCCCC3=NN=C4N3N=C(CS4)C5=CC=CC=C5)C6=CC=CC=C6","YYPLCJFGFBNWDA-UHFFFAOYSA-N",395661,NA,"PDBC29475","700443","Present",NA,NA
+"29476","7H-Benzo[c]fluorene-6-carboxylic acid, 7-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Oxobenzo[c]fluorene-6-carboxylic acid",NA,"C1=CC=C2C(=C1)C=C(C3=C2C4=CC=CC=C4C3=O)C(=O)O","IAECUPAAKIRADL-UHFFFAOYSA-N",328736,NA,"PDBC29476","308809","Present",NA,NA
+"29477","7H-Benzo[c]phenothiazine, 7-chloroacetyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Benzo[c]phenothiazine, 7-chloroacetyl-",NA,"C1=CC=C2C(=C1)C=CC3=C2SC4=CC=CC=C4N3C(=O)CCl","FMZRZAWQHRDTEP-UHFFFAOYSA-N",251355,NA,"PDBC29477","71677","Present",NA,NA
+"29478","7H-Benzocycloheptene-1,4,7-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzocycloheptene-1,4,7-trione, 4,7-dihydro-",NA,"C1=CC2=C(C=CC1=O)C(=O)C=CC2=O","HGNHRPJEEMWOBO-UHFFFAOYSA-N",359306,NA,"PDBC29478","620056","Present",NA,NA
+"29479","7H-Dibenzo[a, 5,6-dihydro-9,10,11-trimethoxy-3-(methylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Dibenzo[a,c]cyclohepten-5-ol, 5,6-dihydro- 9,10,11-tr...",NA,"COC1=C(C(=C2C(=C1)CCC(C3=C2C=CC(=C3)SC)O)OC)OC","HIWNZGHQROQUOB-UHFFFAOYSA-N",393604,NA,"PDBC29479","695798","Present",NA,NA
+"29480","7H-Dibenzo[a, 9,10,11-trimethoxy-3-(methylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Dibenzo[a,c]cyclohepten-5(6H)-one, 9,10,11- trimethox...",NA,"COC1=C(C(=C2C(=C1)CCC(=O)C3=C2C=CC(=C3)SC)OC)OC","VWQSIMWTAVJGIO-UHFFFAOYSA-N",393605,NA,"PDBC29480","695799","Present",NA,NA
+"29481","7H-Imidazo(1,2-c)pyrrolo(3,2-e)pyrimidine-9-carbonitrile, 8-bromo-7-pentofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Bromo-10-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-12-carbonitrile",NA,"C1=CN2C=NC3=C(C2=N1)C(=C(N3C4C(C(C(O4)CO)O)O)Br)C#N","DZJDCAKSQKLVEF-UHFFFAOYSA-N",330411,NA,"PDBC29481","318814","Present",NA,NA
+"29482","7H-Purin-6-ol, 8,9-dihydro-8-imino-2-(methylthio)-9-pentopyranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(6-Hydroxy-8-imino-2-methylsulfanyl-7H-purin-9-yl)tetrahydropyran-3,4,5-triol",NA,"CSC1=NC2=C(C(=O)N1)N=C(N2C3C(C(C(CO3)O)O)O)N","GDRCBFJQUZIOSW-UHFFFAOYSA-N",135429973,NA,"PDBC29482","628727","Present",NA,NA
+"29483","7H-Purine, 6-[(4-pyridinylmethyl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Purine, 6-[(4-pyridinylmethyl)thio]-",NA,"C1=CN=CC=C1CSC2=NC=NC3=C2NC=N3","RRVUXHSNKGVUPF-UHFFFAOYSA-N",3246461,NA,"PDBC29483","133593","Present",NA,NA
+"29484","7H-Purine, 6-chloro-7-[2-deoxy-3-O-(4-methylphenyl)-4-(4-methylphenoxy)-beta-D-erythrofuranosyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Purine, 6-chloro-7-[2-deoxy-3-O-(4-methylphenyl)- 4-(...",NA,"CC1=CC=C(C=C1)OC2CC(OC2OC3=CC=C(C=C3)C)N4C=NC5=C4C(=NC=N5)Cl","CSDLBWYBGLSQRE-UHFFFAOYSA-N",389531,NA,"PDBC29484","685828","Present",NA,NA
+"29485","7H-Purine,6-dichloro-7-[2-deoxy-3,5-O-bis(4-methylphenyl)-beta-D-erythropentofuranosyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Purine, 2,6-dichloro- 7-[2-deoxy-3,5-O-bis(4-methylph...",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3C(=NC(=N4)Cl)Cl)OC5=CC=C(C=C5)C","BVFHGAPJCPMNRY-UHFFFAOYSA-N",389535,NA,"PDBC29485","685833","Present",NA,NA
+"29486","7H-Pyrido[3, 2-(3-chloro-phenyl)-5,6-dihydro-4-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrido[3,2-d][1]benzazepine-6-thione, 2-(3-chloro- ph...",NA,"C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=CC=C4)C5=CC(=CC=C5)Cl","JKBPDRHLIWKTFH-UHFFFAOYSA-N",4998423,NA,"PDBC29486","684481","Present",NA,NA
+"29487","7H-Pyrido[3, 4-(4-bromo-phenyl)-5,6-dihydro-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrido[3,2-d][1]benzazepine-6-thione, 4-(4-bromo- phe...",NA,"C1C2=C(C3=CC=CC=C3NC1=S)N=C(C=C2C4=CC=C(C=C4)Br)C5=CC=CC=C5","FYOHNOBXPNVVRE-UHFFFAOYSA-N",3939015,NA,"PDBC29487","684459","Present",NA,NA
+"29488","7H-Pyrido[4,3,2-kl]acridine-2,3-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene-14,15-dicarboxylate",NA,"COC(=O)C1=C(N=C2C3=CC=CC=C3NC4=CC=CC1=C42)C(=O)OC","BBGXJRFDQAJPRA-UHFFFAOYSA-N",5478689,NA,"PDBC29488","670696","Present",NA,NA
+"29489","7H-Pyrido[4,3-c]carbazol-6-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrido[4,3-c]carbazol-6-ylmethanol",NA,"C1=CC=C2C(=C1)C3=C4C=NC=CC4=CC(=C3N2)CO","HOUVAUDXFZGBEW-UHFFFAOYSA-N",364732,NA,"PDBC29489","631390","Present",NA,NA
+"29490","7H-Pyrrolo[2, 4-(hydroxyamino)-7-beta-D-ribofuranosyl-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamidoxime, 4-(hydrox...",NA,"C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)NO)C(=NO)N.Cl","VGWBNMBYXAYRFO-UHFFFAOYSA-N",54606606,NA,"PDBC29490","154829","Present",NA,NA
+"29491","7H-Pyrrolo[2, 4-amino-7-beta-D-ribofuranosyl-, 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrrolo[2,3-d]pyrimidine-5-carboxamide, 4-amino-7-.be...",NA,"C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)N=CN(C2=N)O)C(=O)N","KSUJYFMVMRJYAU-UHFFFAOYSA-N",3691874,NA,"PDBC29491","116280","Present",NA,NA
+"29492","7H-Pyrrolo[2,3-d]pyrimidine, 5-(4-chlorophenyl)-4-hydrazino-7-(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrrolo[2,3-d]pyrimidine, 5-(4-chlorophenyl)-4-hydrazino-7-(4-methylphenyl)-",NA,"CC1=CC=C(C=C1)N2C=C(C3=C(N=CN=C32)NN)C4=CC=C(C=C4)Cl","UEMNOEQOZQKKOV-UHFFFAOYSA-N",380843,NA,"PDBC29492","666583","Present",NA,NA
+"29493","7H-Pyrrolo[2,3-d]pyrimidinium, 4-amino-5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrrolo[2,3-d]pyrimidinium, 4-amino-5-(4-chlorophenyl)-1-ethyl-7-(4-methylphenyl)-, iodide",NA,"CC[N+]1=C2C(=C(N=C1)N)C(=CN2C3=CC=C(C=C3)C)C4=CC=C(C=C4)Cl.[I-]","DWADVQLBFRZPEI-UHFFFAOYSA-N",380844,NA,"PDBC29493","666584","Present",NA,NA
+"29494","7H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 7-beta-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrrolo[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine, 7-.be...",NA,"C1=CN(C2=C1C3=NC=NN3C=N2)C4C(C(C(O4)CO)O)O","LOUXALRPXGPCFM-UHFFFAOYSA-N",328780,NA,"PDBC29494","308881","Present",NA,NA
+"29495","7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TCMDC-124301",NA,"C1=C2C(=C(N=C(N2)N)N)C3=CC=NC3=C1","TYJMBWNFQVCGFT-UHFFFAOYSA-N",334409,NA,"PDBC29495","339578","Present",NA,NA
+"29496","7H-Pyrrolo[3,4-diamine, 7-[(3-nitrophenyl)methyl]-, monoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrrolo[3,2-f]quinazoline-2,4-diamine, 7-[(3-nitrophe...",NA,"CC(=O)O.C1=CC(=CC(=C1)[N+](=O)[O-])CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N","UFFKDOLCUFDMQB-UHFFFAOYSA-N",334410,NA,"PDBC29496","339579","Present",NA,NA
+"29497","7H-Thiazolo(3,2-a)pyrimidin-7-one, 3-(bromomethyl)-5-((3,5-dimethylphenyl)methyl)-6-ethyl-2,3-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Bromomethyl)-5-(3,5-dimethylbenzyl)-6-ethyl-2,3-dihydro-7h-[1,3]thiazolo[3,2-a]pyrimidin-7-one",NA,"CCC1=C(N2C(CSC2=NC1=O)CBr)CC3=CC(=CC(=C3)C)C","VXSQSHSYDFDUAU-UHFFFAOYSA-N",398468,NA,"PDBC29497","708372","Present",NA,NA
+"29498","7H-Thiazolo(3,2-a)pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Thiazolo(3,2-a)pyrimidin-7-one, 6-ethyl-2,3-dihydro-3-(2-hydroxyethoxy)-5-(1-naphthalenylmethyl)-",NA,"CCC1=C(N2C(CSC2=NC1=O)OCCO)CC3=CC=CC4=CC=CC=C43","TVYUHQCANCYRBZ-UHFFFAOYSA-N",398467,NA,"PDBC29498","708371","Present",NA,NA
+"29499","7H-Thieno[2,3-c]thiopyran-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Thieno[2,3-c]thiopyran-4-one",NA,"C1C2=C(C=CS2)C(=O)CS1","CVHNXSJXGCMRKF-UHFFFAOYSA-N",354029,NA,"PDBC29499","603977","Present",NA,NA
+"29500","7H-Thieno[3',4]cyclopent[1,2-d]oxazole-2,7(1H)-dione, 4,6-dichloro-3a,7a-dihydro-, cis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Thieno[3',4':3,4]cyclopent[1,2-d]oxazole-2,7(1H)-dion...",NA,"C12C(C3=C(SC(=C3C1=O)Cl)Cl)OC(=O)N2","XESIJUCJTMXHFM-WVZVXSGGSA-N",400219,NA,"PDBC29500","711737","Present",NA,NA
+"29501","7J-621S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7J-621S",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl","WVBCDPQRDWBQMN-FPYGCLRLSA-N",6290868,NA,"PDBC29501","640528","Present",NA,NA
+"29502","7P-014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7P-014",NA,"C1=CSC(=N1)NC(=O)C2=C(N=C3N(C2=O)C=CS3)O","NQHQHRJTGBFGAD-UHFFFAOYSA-N",135409171,NA,"PDBC29502","663553","Present",NA,NA
+"29503","7W-0294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7W-0294",NA,"CC1=C(C(=O)N(N1)C2=NC3=C(CCCC3)C(=O)N2)CCO","DPPVFBIVCROWRM-UHFFFAOYSA-N",135407351,NA,"PDBC29503","664723","Present",NA,NA
+"29504","7W-0341",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7W-0341",NA,"CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C(=C(N2)C)CCO","RCXSBHWDDVYRDS-UHFFFAOYSA-N",379753,NA,"PDBC29504","664725","Present",NA,NA
+"29505","7W-0391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7W-0391",NA,"CC1=CC(=O)NC(=N1)N2C(=O)C(=C(N2)C)CCO","AADISNQZRQUFDA-UHFFFAOYSA-N",135409191,NA,"PDBC29505","664720","Present",NA,NA
+"29506","7Z-Plakortide H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7Z-Plakortide H",NA,"CCC=CC(CC)CC(=CC1(CC(C(OO1)CC(=O)O)CC)CC)C","QTIPTWPLMFIHPM-OWJDXIQASA-N",5472712,NA,"PDBC29506","721049","Present",NA,NA
+"29507","7ZC34TF8SX",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7ZC34TF8SX",NA,"COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC","FJNLODZIVSPGBA-UHFFFAOYSA-N",251112,NA,"PDBC29507","71300","Present",NA,NA
+"29508","7a-(Hydroxy(methoxy)methyl)-2,2,4,4-tetraisopropyl-6a,7a,13a,13b-tetrahydro-6H,11H-[1,3,5,2,4]trioxadisilocino[6'',7'':4',5']furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H,11H-1,3,5,2,4-Trioxadisilocino[6'',7'':4',5']furo [2'...",NA,"CC(C)[Si]1(OCC2C(C3C(O2)(N4C=CC(=O)N=C4O3)C(O)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C","SDNSUZRVBFXLON-UHFFFAOYSA-N",387256,NA,"PDBC29508","680837","Present",NA,NA
+"29509","7a-Hydroxy-7,7a,11b,12-tetrahydrobenzo[a]benzo[3,4]cyclobuta[1,2-d]cycloocten-5(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7a-Hydroxy-7,7a,11b,12-tetrahydrobenzo[a]benzo[3,4]cyclobuta[1,2-d]cycloocten-5(6H)-one",NA,"C1CC2(C(CC3=CC=CC=C3C1=O)C4=CC=CC=C42)O","CKBIQJYJXORKRU-UHFFFAOYSA-N",375542,NA,"PDBC29509","655321","Present",NA,NA
+"29510","7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7a-Methyl-3-methylidenehexahydro-4,7-methano-1-benzofuran-2(3H)-one",NA,"CC12C3CCC(C3)C1C(=C)C(=O)O2","SDEVQQAGBWZTRK-UHFFFAOYSA-N",430321,NA,"PDBC29510","271289","Present",NA,NA
+"29511","7a-Methyl-7a,14c-dihydronaphtho[2,1-b]naphtho[1',2':4,5]furo[3,2-d]furan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7a-Methyl-7a,14c-dihydronaphtho[2,1-b]naphtho[1',2':4,5]furo[3,2-d]furan",NA,"CC12C(C3=C(O1)C=CC4=CC=CC=C43)C5=C(O2)C=CC6=CC=CC=C65","YOBIOKRHPCFJNE-UHFFFAOYSA-N",360855,NA,"PDBC29511","623506","Present",NA,NA
+"29512","7alpha,17beta-Dihydroxy-17alpha-methylandrost-4-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C14891",NA,"CC12CCC(=O)C=C1CC(C3C2CCC4(C3CCC4(C)O)C)O","HBNWWAPEFHXKKT-QMNUTNMBSA-N",242497,NA,"PDBC29512","51182","Present",NA,NA
+"29513","7alpha-Acetoxyroylenane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7alpha-acetoxyroylenane",NA,"CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2OC(=O)C)(C)C)C)O","MNEJUZVNGNCLJU-PZEOVBFPSA-N",362048,NA,"PDBC29513","753734","Present",NA,NA
+"29514","8'-Amino-1'-benzyl-6',9'-dimethylspiro[1,3-dioxolane-2,5'-4,6-dihydro-3H-1-benzazocine]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8'-Amino-1'-benzyl-6',9'-dimethylspiro[1,3-dioxolane-2,5'-4,6-dihydro-3H-1-benzazocine]-2'-one",NA,"CC1C2=C(C=C(C(=C2)N)C)N(C(=O)CCC13OCCO3)CC4=CC=CC=C4","TUIUPAJXRDRHIG-UHFFFAOYSA-N",353844,NA,"PDBC29514","603138","Present",NA,NA
+"29515","8'-Methoxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8'-Methoxy-3-methyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,"CN1C(=O)C2=CC=CC=C2OC13C=CC4=C(O3)C(=CC=C4)OC","KWTRAYHFLDVWII-UHFFFAOYSA-N",392255,NA,"PDBC29515","692396","Present",NA,NA
+"29516","8'-[(e)-(2-Hydroxyphenyl)iminomethyl]-3,6'-dimethyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8'-[(2-Hydroxyphenyl)iminomethyl]-3,6'-dimethylspiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,"CC1=CC2=C(C(=C1)C=NC3=CC=CC=C3O)OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C","CICOELVGIOQXOO-UHFFFAOYSA-N",392258,NA,"PDBC29516","692399","Present",NA,NA
+"29517","8'-[(e)-(4-Dimethylaminophenyl)iminomethyl]-3,6'-dimethyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8'-[[4-(Dimethylamino)phenyl]iminomethyl]-3,6'-dimethylspiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,"CC1=CC2=C(C(=C1)C=NC3=CC=C(C=C3)N(C)C)OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C","XKROPRONWCRSQQ-UHFFFAOYSA-N",392259,NA,"PDBC29517","692400","Present",NA,NA
+"29518","8'-[(e)-Benzyliminomethyl]-3,6'-dimethyl-spiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8'-(Benzyliminomethyl)-3,6'-dimethylspiro[1,3-benzoxazine-2,2'-chromene]-4-one",NA,"CC1=CC2=C(C(=C1)C=NCC3=CC=CC=C3)OC4(C=C2)N(C(=O)C5=CC=CC=C5O4)C","NLTBEDIFHCLABG-UHFFFAOYSA-N",392260,NA,"PDBC29518","692401","Present",NA,NA
+"29519","8(5H)-Quinolinone, 7-chloro-5-[[4-(diethylamino)-2-methylphenyl]imino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8(5H)-Quinolinone, 7-chloro-5-[[4-(diethylamino)-2-methylphenyl]imino]-",NA,"CCN(CC)C1=CC(=C(C=C1)N=C2C=C(C(=O)C3=C2C=CC=N3)Cl)C","BNKIJSIWUMPQAA-UHFFFAOYSA-N",363174,NA,"PDBC29519","627778","Present",NA,NA
+"29520","8,10-Dimethyl-3,5-dioxa-4lambda4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,10-Dimethyl-3,5-dioxa-4lambda4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene",NA,"CC1CC(C2=NOS3=C2C1=NO3)C","JWELPGQDALCCAS-UHFFFAOYSA-N",356808,NA,"PDBC29520","614052","Present",NA,NA
+"29521","8,10-Diphenyl-11-oxa-3-thiabicyclo[5.3.1]undeca-1(10),7-dien-9-one 3,3-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,10-Diphenyl-11-oxa-3-thiabicyclo[5.3.1]undeca-1(10),7-dien-9-one 3,3-dioxide",NA,"C1CC2=C(C(=O)C(=C(O2)CS(=O)(=O)C1)C3=CC=CC=C3)C4=CC=CC=C4","SLRXXVFBICJWEO-UHFFFAOYSA-N",373098,NA,"PDBC29521","649029","Present",NA,NA
+"29522","8,11-Bis((4-methylphenyl)sulfonyl)-1,4-dithia-8,11-diazacyclotetradecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,11-Bis((4-methylphenyl)sulfonyl)-1,4-dithia-8,11-diazacyclotetradecane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCCSCCSCCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C","FKPMAHVAKINYDZ-UHFFFAOYSA-N",373814,NA,"PDBC29522","650777","Present",NA,NA
+"29523","8,11-Dichlorocryptolepine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,11-dichlorocryptolepine hydrochloride",NA,"CN1C2=CC=CC=C2C(=C3C1=C4C=CC(=CC4=N3)Cl)Cl.Cl","QVMMJOPGKQLGKR-UHFFFAOYSA-N",405328,NA,"PDBC29523","722546","Present",NA,NA
+"29524","8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,11-Dimethoxy-7,7-dimethyl-6,7-dihydro-5H-tetraazolo[5,1-a][2]benzazepine",NA,"CC1(CCN2C(=NN=N2)C3=C(C=CC(=C31)OC)OC)C","RCSRDNWLRMMEKT-UHFFFAOYSA-N",377480,NA,"PDBC29524","658948","Present",NA,NA
+"29525","8,13-Diaza-8H-dibenz[a,de]anthracen-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,20-Diazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(21),2,4,6,9,11,13,15,18-nonaen-17-imine",NA,"C1=CC=C2C(=C1)C3=C4C(=C5C=CC(=N)C=C5N3)C=CC=C4N2","QMNPPOOTJUTYKN-UHFFFAOYSA-N",438793,NA,"PDBC29525","670693","Present",NA,NA
+"29526","8,15-Diisocyano-11(20)-amphilectene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,15-Diisocyano-11(20)-amphilectene",NA,"CC1CCC2C(CC(C3C2C1(CCC3=C)[N+]#[C-])CC(C)(C)[N+]#[C-])C","JZQFIFOTCYCVEG-MAMNATSISA-N",360184,NA,"PDBC29526","622155","Present",NA,NA
+"29527","8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-ol",NA,"C1CCN2CCC3=C(C(C2C1)O)NC4=CC=CC=C34","LOTZCVIDSNBKKE-UHFFFAOYSA-N",396995,NA,"PDBC29527","704232","Present",NA,NA
+"29528","8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,18-Diazatetracyclo[9.7.0.03,8.012,17]octadeca-1(11),12,14,16-tetraen-2-one",NA,"C1CCN2CCC3=C(C(=O)C2C1)NC4=CC=CC=C34","IKUMTQZGVXFFFC-UHFFFAOYSA-N",396994,NA,"PDBC29528","704231","Present",NA,NA
+"29529","8,18-Trihydroxy-2,6-dolabelladiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,10,18-Trihydroxy-2,6-dolabelladiene",NA,"CC1CC=CC(CC(C2C(CCC2(C=C1)C)C(C)(C)O)O)(C)O","CINFXKCUQDROKC-HWAAYOFZSA-N",5387259,NA,"PDBC29529","622255","Present",NA,NA
+"29530","8,20-Diazatetracyclo[10.8.0.0^{2,7}.0^{14,19}]icosa-1(12),2(7),3,5,13,15,17,19-octaen-13-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,20-Diazatetracyclo[10.8.0.0^{2,7}.0^{14,19}]icosa-1(12),2(7),3,5,13,15,17,19-octaen-13-amine",NA,"C1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4NC1)N","MUNJEFGPDSDLMV-UHFFFAOYSA-N",402664,NA,"PDBC29530","716850","Present",NA,NA
+"29531","8,24-Ditert-butyl-12,16,28,32-tetraoxapentacyclo[17.13.0.03,17.06,11.022,27]dotriaconta-1(19),2,6(11),7,9,17,22(27),23,25-nonaen-4,20-diyne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,24-Ditert-butyl-12,16,28,32-tetraoxapentacyclo[17.13.0.03,17.06,11.022,27]dotriaconta-1(19),2,6(11),7,9,17,22(27),23,25-nonaen-4,20-diyne",NA,"CC(C)(C)C1=CC2=C(C=C1)OCCCOC3=CC4=C(C=C3C#C2)OCCCOC5=C(C=C(C=C5)C(C)(C)C)C#C4","DHNCNEKWFCVUOX-UHFFFAOYSA-N",397891,NA,"PDBC29531","706806","Present",NA,NA
+"29532","8,3'-Dimethoxybenzyl)-8-hydroxy-butyrolacton",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8'-(3,3'-Dimethoxybenzyl)-8-hydroxy-butyrolacton",NA,"COC1=CC=CC(=C1)CC2COC(=O)C2(CC3=CC(=CC=C3)OC)O","PNXSOUWKEOHIBR-JXFKEZNVSA-N",405100,NA,"PDBC29532","722054","Present",NA,NA
+"29533","8,3-Methylenedioxy-11H-indeno[1,2-c]isoquinoli ne hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Dimethoxy-2,3-methylenedioxy-11H-indeno[1,2-c]isoqui...",NA,"COC1=C(C=C2C(=C1)CC3=C2N=CC4=CC5=C(C=C34)OCO5)OC.Cl","GVWYMPHKICKPKH-UHFFFAOYSA-N",11164186,NA,"PDBC29533","729475","Present",NA,NA
+"29534","8,8'-Bis(((2-chloro-5-(trifluoromethyl)phenyl)imino)methyl)-5,5'-diisopropyl-3,3'-dimethyl-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[[2-Chloro-5-(trifluoromethyl)phenyl]iminomethyl]-2-[8-[[2-chloro-5-(trifluoromethyl)phenyl]iminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC3=C(C=CC(=C3)C(F)(F)F)Cl)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6=C(C=CC(=C6)C(F)(F)F)Cl)O)O)C(C)C)O)O","SNDGVCAYHRJYIV-UHFFFAOYSA-N",243200,NA,"PDBC29534","52531","Present",NA,NA
+"29535","8,8'-Paepalantine dimer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8'-paepalantine dimer",NA,"CC1=CC2=C(C3=CC(=C(C(=C3C(=C2C(=O)O1)O)O)C4=C(C=C5C(=C4O)C(=C6C(=C5OC)C=C(OC6=O)C)O)OC)OC)OC","ZFQBRSSPULXABF-UHFFFAOYSA-N",5473234,NA,"PDBC29535","724592","Present",NA,NA
+"29536","8,8,10,10-Tetrachloro-3-phenoxy-1,2,4,5,7,9,11-heptaaza-3,6lambda~5~,8lambda~5~,10lambda~5~-tetraphosphaspiro[5.5]undeca-6,8,10-triene 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,4,4-Tetrachloro-9-phenoxy-1,3,5,7,8,10,11-heptaza-2lambda5,4lambda5,6lambda5,9lambda5-tetraphosphaspiro[5.5]undeca-1(6),2,4-triene 9-oxide",NA,"C1=CC=C(C=C1)OP2(=O)NNP3(=NP(=NP(=N3)(Cl)Cl)(Cl)Cl)NN2","QPHHZIMEKMJFMS-UHFFFAOYSA-N",370146,NA,"PDBC29536","642782","Present",NA,NA
+"29537","8,8,10,10-Tetrachloro-3-phenoxy-1,2,4,5,7,9,11-heptaaza-3,6lambda~5~,8lambda~5~,10lambda~5~-tetraphosphaspiro[5.5]undeca-6,8,10-triene 3-sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,4,4-Tetrachloro-9-phenoxy-9-sulfanylidene-1,3,5,7,8,10,11-heptaza-2lambda5,4lambda5,6lambda5,9lambda5-tetraphosphaspiro[5.5]undeca-1(6),2,4-triene",NA,"C1=CC=C(C=C1)OP2(=S)NNP3(=NP(=NP(=N3)(Cl)Cl)(Cl)Cl)NN2","FJYIZORHOUVDIG-UHFFFAOYSA-N",370145,NA,"PDBC29537","642781","Present",NA,NA
+"29538","8,8,10,10-Tetrakis(aziridin-1-yl)-3-phenoxy-3-thioxo-1,2,4,5,7,9,11-heptaza-3$l^{5},6$l^{5},8$l^{5},10$l^{5}-tetraphosphaspiro[5.5]undeca-6,8,10-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,4,4-Tetrakis(aziridin-1-yl)-9-phenoxy-9-sulfanylidene-1,3,5,7,8,10,11-heptaza-2lambda5,4lambda5,6lambda5,9lambda5-tetraphosphaspiro[5.5]undeca-1(6),2,4-triene",NA,"C1CN1P2(=NP(=NP3(=N2)NNP(=S)(NN3)OC4=CC=CC=C4)(N5CC5)N6CC6)N7CC7","BOINQHNDAWRRLG-UHFFFAOYSA-N",370147,NA,"PDBC29538","642783","Present",NA,NA
+"29539","8,8,19,19-Tetramethyl-4,16-dioxa-7,10,18,21-tetrazadispiro[4.6.4^{12}.6^{5}]docosane-11,22-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8,19,19-Tetramethyl-4,16-dioxa-7,10,18,21-tetrazadispiro[4.6.4^{12}.6^{5}]docosane-11,22-dione",NA,"CC1(CNC(=O)C2(CCCO2)CNC(CNC(=O)C3(CCCO3)CN1)(C)C)C","YCZKKAACHGXNQZ-UHFFFAOYSA-N",374395,NA,"PDBC29539","652105","Present",NA,NA
+"29540","8,8-Bis-benzyloxy-10-oxa-3,4,5-triaza-tricyclo[5.2.1.02,6]dec-4-ene-3-carboxylic acid benzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5,5-bis(benzyloxy)-3a,4,5,6,7,7a-hexahydro-1h-4,7-epoxybenzotriazole-1-carboxylate",NA,"C1C2C3C(C(C1(OCC4=CC=CC=C4)OCC5=CC=CC=C5)O2)N=NN3C(=O)OCC6=CC=CC=C6","AQVUYYKTWKGZRI-UHFFFAOYSA-N",368614,NA,"PDBC29540","639722","Present",NA,NA
+"29541","8,8-Dibromo-9-oxo-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-1-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-Benzocyclohepten-5-one, 4-(acetyloxy)-6,6-dibromo- 6,...",NA,"CC(=O)OC1=CC=CC2=C1C(=O)C(CCC2)(Br)Br","AHMPDCNURKIVJX-UHFFFAOYSA-N",361590,NA,"PDBC29541","624771","Present",NA,NA
+"29542","8,8-Dichloro-1-methylbicyclo[4.2.0]octan-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STZDLDHQOXCLNP-UHFFFAOYSA-N",NA,"CC12CCCCC1C(=O)C2(Cl)Cl","STZDLDHQOXCLNP-UHFFFAOYSA-N",361931,NA,"PDBC29542","625412","Present",NA,NA
+"29543","8,8-Dimethyl-4-oxo-2,3-diphenyl-9H-furo[2,3-h]chromene-9-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8-Dimethyl-4-oxo-2,3-diphenyl-9H-furo[2,3-h]chromene-9-carboxylic acid",NA,"CC1(C(C2=C(O1)C=CC3=C2OC(=C(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O)C","FGNMDOTVDZSLKX-UHFFFAOYSA-N",388150,NA,"PDBC29543","682714","Present",NA,NA
+"29544","8,8-Dimethyl-4-oxo-2-(2-thienyl)-9H-furo[2,3-h]chromene-9-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8-Dimethyl-4-oxo-2-(2-thienyl)-9H-furo[2,3-h]chromene-9-carboxylic acid",NA,"CC1(C(C2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=CS4)C(=O)O)C","ROQKYDLEJOFAOM-UHFFFAOYSA-N",388153,NA,"PDBC29544","682717","Present",NA,NA
+"29545","8,8-Dimethyl-4-oxo-2-phenyl-9H-furo[2,3-h]chromene-9-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8-Dimethyl-4-oxo-2-phenyl-9H-furo[2,3-h]chromene-9-carboxylic acid",NA,"CC1(C(C2=C(O1)C=CC3=C2OC(=CC3=O)C4=CC=CC=C4)C(=O)O)C","IBFIGGWXZUBEMK-UHFFFAOYSA-N",388151,NA,"PDBC29545","682715","Present",NA,NA
+"29546","8,8-Dimethyl-9-oxo-1,3,4,7,8,9-hexahydrocyclopenta[h]isochromene-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8-Dimethyl-9-oxo-1,3,4,7,8,9-hexahydrocyclopenta[h]isochromene-5-carboxylic acid",NA,"CC1(CC2=CC(=C3CCOCC3=C2C1=O)C(=O)O)C","QHVDYQSAGZQSFY-UHFFFAOYSA-N",362805,NA,"PDBC29546","627083","Present",NA,NA
+"29547","8,8-Dimethylbicyclo[3.2.1]oct-6-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8-Dimethylbicyclo[3.2.1]oct-6-en-2-one",NA,"CC1(C2CCC(=O)C1C=C2)C","MVYDKCGYCKAJTG-UHFFFAOYSA-N",373581,NA,"PDBC29547","650034","Present",NA,NA
+"29548","8,8-Dimethylbicyclo[3.2.1]octan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8-Dimethylbicyclo[3.2.1]octan-2-one",NA,"CC1(C2CCC1C(=O)CC2)C","ZTPJXJZOJZGKFX-UHFFFAOYSA-N",376776,NA,"PDBC29548","657836","Present",NA,NA
+"29549","8,8-Diphenyl-7-oxa-1-aza-8-boranuidabicyclo[3.3.0]octan-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8-Diphenyl-7-oxa-1-aza-8-boranuidabicyclo[3.3.0]octan-6-one",NA,NA,NA,NA,NA,"PDBC29549","667863","Present",NA,NA
+"29550","8,8a-Dihydropyrrolo[1,2-d][1,2,4]triazine-1,6(2H,7H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8a-Dihydropyrrolo[1,2-d][1,2,4]triazine-1,6(2H,7H)-dione",NA,"C1CC(=O)N2C1C(=O)NN=C2","AZTJPZGXOZYXFN-UHFFFAOYSA-N",366808,NA,"PDBC29550","635580","Present",NA,NA
+"29551","8,9,10-Trimethylbenzo[g]pteridine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9,10-Trimethylbenzo[g]pteridine-2,4-dione",NA,"CC1=C(C2=C(C=C1)N=C3C(=O)NC(=O)N=C3N2C)C","OYHPAPUVZILAGG-UHFFFAOYSA-N",397201,NA,"PDBC29551","704610","Present",NA,NA
+"29552","8,9,19,20-Tetrahydro-7H,18H-5,22-diazanediylidene-11,16-diazenodibenzo[g,p][1,5,10,14]tetrathiacyclooctadecine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6,15,19-Tetrathia-27,28,29,30-tetrazapentacyclo[18.6.2.27,14.08,13.021,26]triaconta-1(27),7(30),8,10,12,14(29),20(28),21,23,25-decaene",NA,"C1CSC2=NN=C(C3=CC=CC=C32)SCCCSC4=NN=C(C5=CC=CC=C54)SC1","CSXSTRLVQBAKDZ-UHFFFAOYSA-N",382160,NA,"PDBC29552","669608","Present",NA,NA
+"29553","8,9-Bis-benzyloxy-7-methyl-1,4,6-trioxa-spiro[4.5]decane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Bis-benzyloxy-7-methyl-1,4,6-trioxa-spiro[4.5]decane",NA,"CC1C(C(CC2(O1)OCCO2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","CYNNHJZSXYWLJA-UHFFFAOYSA-N",383712,NA,"PDBC29553","672138","Present",NA,NA
+"29554","8,9-Dihydro-6H-benzo[b][1,8]naphthyridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Dihydro-6H-benzo[b][1,8]naphthyridin-7-one",NA,"C1CC2=C(CC1=O)C=C3C=CC=NC3=N2","FQSFHLUMNCPFJQ-UHFFFAOYSA-N",395748,NA,"PDBC29554","700548","Present",NA,NA
+"29555","8,9-Dihydroxy-2,2,12,12-tetramethyl-4-cyclododecen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Dihydroxy-2,2,12,12-tetramethyl-4-cyclododecen-1-one",NA,"CC1(CCC(C(CCC=CCC(C1=O)(C)C)O)O)C","BEWPNOHISJLCQR-ALCCZGGFSA-N",5468839,NA,"PDBC29555","677301","Present",NA,NA
+"29556","8,9-Dihydroxy-2,6-dioxa-4-azabicyclo[3.3.1]nonan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Dihydroxy-2,6-dioxa-4-azabicyclo[3.3.1]nonan-3-one",NA,"C1C(C2C(C(O1)NC(=O)O2)O)O","YYNLEEABUQRBLL-UHFFFAOYSA-N",373118,NA,"PDBC29556","649060","Present",NA,NA
+"29557","8,9-Dihydroxy-7-(hydroxymethyl)-2,6-dioxa-4-azabicyclo[3.3.1]nonan-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Dihydroxy-7-(hydroxymethyl)-2,6-dioxa-4-azabicyclo[3.3.1]nonan-3-one",NA,"C(C1C(C2C(C(O1)NC(=O)O2)O)O)O","JTZAYJLIBFNTNB-UHFFFAOYSA-N",373119,NA,"PDBC29557","649061","Present",NA,NA
+"29558","8,9-Dihydroxy-7-methoxy-5-(1-naphthyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Dihydroxy-7-methoxy-5-(1-naphthyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione",NA,"COC1=C(C(=C2C(=C1)C(N3C(C2=O)CCC3=O)C4=CC=CC5=CC=CC=C54)O)O","GDEKEEAROVIPQQ-UHFFFAOYSA-N",393643,NA,"PDBC29558","695854","Present",NA,NA
+"29559","8,9-Dimethoxy-2,3,5,6-tetrahydro-1H-benzo[de]pyrido[3,2,1-ij]quinoline-10,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dimethoxy-1-azatetracyclo[6.6.2.04,16.011,15]hexadeca-4,6,8(16),11(15)-tetraene-9,10-dione",NA,"COC1=C(C2=C3C(=C1)CCN4C3=C(CCC4)C(=O)C2=O)OC","VMUFXODGFRIDFQ-UHFFFAOYSA-N",386981,NA,"PDBC29559","680292","Present",NA,NA
+"29560","8,9-Dimethoxy-3,10b-diphenyl-10bH-[1,2,4]oxadiazolo[4,5-c][1,3]benzothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Dimethoxy-3,10b-diphenyl-10bH-[1,2,4]oxadiazolo[4,5-c][1,3]benzothiazine",NA,"COC1=C(C=C2C(=C1)C3(N(CS2)C(=NO3)C4=CC=CC=C4)C5=CC=CC=C5)OC","JGYLAKQYTFXUTN-UHFFFAOYSA-N",373383,NA,"PDBC29560","649610","Present",NA,NA
+"29561","8,9-Dimethoxy-4-methyl-3-phenyl-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-4-ium tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Dimethoxy-4-methyl-3-phenyl-2,3,5,6-tetrahydropyrrolo[2,1-a]isoquinolin-4-ium tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC29561","686131","Present",NA,NA
+"29562","8,9-Dimethoxybenzo[c]phenanthridin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Dimethoxybenzo[c]phenanthridin-3-ol",NA,"COC1=C(C=C2C3=C(C4=C(C=CC(=C4)O)C=C3)N=CC2=C1)OC","KKQSZBUFOTUYNS-UHFFFAOYSA-N",371249,NA,"PDBC29562","645308","Present",NA,NA
+"29563","8,9-Dimethoxybenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,9-Dimethoxybenzo[c]phenanthridine",NA,"COC1=C(C=C2C3=C(C4=CC=CC=C4C=C3)N=CC2=C1)OC","HRZKEZNXDUQWDZ-UHFFFAOYSA-N",371215,NA,"PDBC29563","645264","Present",NA,NA
+"29564","8,9-Dimethoxybenzo[g]isoquinoline-5,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz[g]isoquinoline-5,10-dione, 8,9-dimethoxy-",NA,"COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=NC=C3)OC","ZXETZSMJIZKERY-UHFFFAOYSA-N",362995,NA,"PDBC29564","627523","Present",NA,NA
+"29565","8,9-Dimethoxycamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC328410",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C(=CC5=C4)OC)OC)O","IYAQFMAQDYIFSH-UHFFFAOYSA-N",190756,NA,"PDBC29565","328410","Present",NA,NA
+"29566","8,9-Dioxo-11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-13-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-dioxo-5,6-dihydronaphtho[1',2':4,5]-imidazo[1,2-a]py...",NA,"C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=C(C=CC4=N3)C(=O)N","KUFIVSUHEZRPPY-UHFFFAOYSA-N",155807515,NA,"PDBC29566","795139","Present",NA,NA
+"29567","8-(((1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)methoxy)methyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[(1,3-Dimethyl-2,6-dioxo-7H-purin-8-yl)methoxymethyl]-1,3-dimethyl-7H-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)COCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C","BZWZONSXQBFSJV-UHFFFAOYSA-N",247621,NA,"PDBC29567","62594","Present",NA,NA
+"29568","8-((2,5-Dichlorophenyl)diazenyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-((2,5-Dichlorophenyl)diazenyl)-1,2,5,6-tetrahydro-4H-pyrrolo[3,2,1-ij]quinoline",NA,"C1CC2=C3C(=CC(=C2)N=NC4=C(C=CC(=C4)Cl)Cl)CCN3C1","DQOXJUSTQOIDNG-UHFFFAOYSA-N",377665,NA,"PDBC29568","659246","Present",NA,NA
+"29569","8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 3-(hydroxy(oxido)amino)benzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 3-(hydroxy(oxido)amino)benzenesulfonate",NA,"COC1=C(C=C(C(=C1)C=NC2=CC=CC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])Br)OC","UYECKQZWTMZTHT-UHFFFAOYSA-N",371211,NA,"PDBC29569","645260","Present",NA,NA
+"29570","8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 4-(hydroxy(oxido)amino)benzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-((2-Bromo-4,5-dimethoxybenzylidene)amino)-2-naphthyl 4-(hydroxy(oxido)amino)benzenesulfonate",NA,"COC1=C(C=C(C(=C1)C=NC2=CC=CC3=C2C=C(C=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])Br)OC","BMDLKQVHHYQDSC-UHFFFAOYSA-N",371207,NA,"PDBC29570","645257","Present",NA,NA
+"29571","8-((Triphenylstannyl)oxy)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-628585",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)OC4=CC=CC5=C4N=CC=C5","IZZZBUXADCIOKL-UHFFFAOYSA-M",16683145,NA,"PDBC29571","628585","Present",NA,NA
+"29572","8-(1,2-Dihydroxyethyl)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(4-morpholinyl)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Deamino-3'-(4-morpholinyl)-13-dihydro-adriamycin hydr...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)O)N6CCOCC6)O.Cl","OYXKDQMOCVNLBP-UHFFFAOYSA-N",157437,NA,"PDBC29572","639655","Present",NA,NA
+"29573","8-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(1,3-Benzodioxol-5-yl)-6-(4-methylphenyl)-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-amine",NA,"CC1=CC=C(C=C1)C2=NC3=C(N=CN=C3NC(C2)C4=CC5=C(C=C4)OCO5)N","BQYTXPHSSBCJCD-UHFFFAOYSA-N",25112165,NA,"PDBC29573","743957","Present",NA,NA
+"29574","8-(1,3-Benzodioxol-5-yl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(1,3-Benzodioxol-5-yl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"C1OC2=C(O1)C=C(C=C2)C3C4=CC5=C(C=C4OC(=C3C(=O)O)CO)OCO5","BZMZZPZOWSKUGR-UHFFFAOYSA-N",358797,NA,"PDBC29574","618866","Present",NA,NA
+"29575","8-(1-Cyclohexylbenzimidazol-5-yl)-6-(3-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(1-cyclohexyl-1H-benzo[d]imidazol-5-yl)-6-(1-cyclohexy...",NA,"C1CCC(CC1)N2C=NC3=C2C=CC(=C3)C4=NC(=CN5C4=NC=C5)C6=CC7=C(C=C6)N=CN7C8CCCCC8","BPKFJGGZDXTZIR-UHFFFAOYSA-N",155814105,NA,"PDBC29575","799118","Present",NA,NA
+"29576","8-(1-Phenylethoxy)-4a,7,8,8a-tetrahydro-1,4,6(5H)-naphthalenetrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(1-Phenylethoxy)-4a,7,8,8a-tetrahydro-1,4,6(5H)-naphthalenetrione",NA,"CC(C1=CC=CC=C1)OC2CC(=O)CC3C2C(=O)C=CC3=O","BZHHDXHGZFULPI-UHFFFAOYSA-N",373885,NA,"PDBC29576","650877","Present",NA,NA
+"29577","8-(1H-Indol-3-yl)-6,8,10,10-tetramethyl-5,8,9,10-tetrahydrocyclohepta[b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(1H-Indol-3-yl)-6,8,10,10-tetramethyl-5,8,9,10-tetrahydrocyclohepta[b]indole",NA,"CC1=CC(CC(C2=C1NC3=CC=CC=C32)(C)C)(C)C4=CNC5=CC=CC=C54","FBJAPBJGACFLTK-UHFFFAOYSA-N",362913,NA,"PDBC29577","627388","Present",NA,NA
+"29578","8-(2,2'-Spirobi[benzo[f][1,3,2]benzodioxaphosphole]-2-yloxy)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,2'-Spirobi[benzo[f][1,3,2]benzodioxaphosphole]-2-yloxy)quinoline",NA,"C1=CC=C2C=C3C(=CC2=C1)OP4(O3)(OC5=CC6=CC=CC=C6C=C5O4)OC7=CC=CC8=C7N=CC=C8","QVIYELPIOQWJHD-UHFFFAOYSA-N",360394,NA,"PDBC29578","622459","Present",NA,NA
+"29579","8-(2,3-Dihydro-1,3-benzoxazol-2-yl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,3-Dihydro-1,3-benzoxazol-2-yl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",NA,"CN1CN(C2(C1=O)CCN(CC2)C3NC4=CC=CC=C4O3)C5=CC=CC=C5","BBCDWLCGGNXTTK-UHFFFAOYSA-N",380310,NA,"PDBC29579","665790","Present",NA,NA
+"29580","8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one",NA,"C1CN(CCC12CNC(=O)N2C3=CC=CC=C3)CC4COC5=CC=CC=C5O4","LDOBJJZKPRYYIQ-UHFFFAOYSA-N",380021,NA,"PDBC29580","665315","Present",NA,NA
+"29581","8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,3-Dihydro-1,4-benzodioxin-2-ylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione",NA,"CN1C(=O)C2(CCN(CC2)CC3COC4=CC=CC=C4O3)N(C1=O)C5=CC=CC=C5","WOPZHACYQXZLKH-UHFFFAOYSA-N",380019,NA,"PDBC29581","665313","Present",NA,NA
+"29582","8-(2,3-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,3-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"COC1=CC=CC(=C1OC)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","RFIGOHQLDLBCIG-UHFFFAOYSA-N",359112,NA,"PDBC29582","619692","Present",NA,NA
+"29583","8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol",NA,"CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=C(C(=CC=C4)OC)OC","RYCBCSWYEUGIDM-UHFFFAOYSA-N",381358,NA,"PDBC29583","667898","Present",NA,NA
+"29584","8-(2,3-Dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,3-Dimethoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,"CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=C(C(=CC=C5)OC)OC","GBOIKVXJSZURGV-UHFFFAOYSA-N",381363,NA,"PDBC29584","667903","Present",NA,NA
+"29585","8-(2,3-Dimethoxyphenyl)-N,N-diethyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,3-Dimethoxyphenyl)-N,N-diethyl-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,"CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=C(C(=CC=C4)OC)OC)C","XFZQJONSCZRGGL-UHFFFAOYSA-N",381365,NA,"PDBC29585","667905","Present",NA,NA
+"29586","8-(2,3-Dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,3-Dimethoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,"CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)OC)OCO3)C5=C(C(=CC=C5)OC)OC","TVACMCACOWTLJP-UHFFFAOYSA-N",381359,NA,"PDBC29586","667899","Present",NA,NA
+"29587","8-(2,4-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,4-Dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"COC1=CC(=C(C=C1)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4)OC","AOFQWXMNICNOLG-UHFFFAOYSA-N",358800,NA,"PDBC29587","618869","Present",NA,NA
+"29588","8-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine",NA,"COC1=CC(=C(C=C1)OC)C2CCC3=C4C(=NC(=NC4=NC=C3C2)N)N","BGIKLMHTODEELV-UHFFFAOYSA-N",401166,NA,"PDBC29588","714362","Present",NA,NA
+"29589","8-(2-(1,3-Dioxan-2-yl)-2-(4-fluorophenyl)propyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2-(1,3-Dioxan-2-yl)-2-(4-fluorophenyl)propyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",NA,"CC(CN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C)(C4OCCCO4)C5=CC=C(C=C5)F","UTXOHXREBPXNEH-UHFFFAOYSA-N",380038,NA,"PDBC29589","665334","Present",NA,NA
+"29590","8-(2-(Trifluoromethyl)phenyl)-1H,3H-difuro[3,4-b:3,4-e]pyridine-1,7(5H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[2-(Trifluoromethyl)phenyl]-5,11-dioxa-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),8-triene-6,10-dione",NA,"C1C2=C(C(=C3C(=N2)COC3=O)C4=CC=CC=C4C(F)(F)F)C(=O)O1","QSODRICEQFAZSV-UHFFFAOYSA-N",375345,NA,"PDBC29590","654969","Present",NA,NA
+"29591","8-(2-Hydroxyethyl)-3,6,7-trimethyl-2,4(3H,8H)-pteridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2-Hydroxyethyl)-3,6,7-trimethyl-2,4(3H,8H)-pteridinedione",NA,"CC1=C(N(C2=NC(=O)N(C(=O)C2=N1)C)CCO)C","PGTHACZDDXLCKX-UHFFFAOYSA-N",387297,NA,"PDBC29591","680991","Present",NA,NA
+"29592","8-(2-Hydroxyethyl)-3-methyl-2,4(3H,8H)-pteridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2-Hydroxyethyl)-3-methyl-2,4(3H,8H)-pteridinedione",NA,"CN1C(=O)C2=NC=CN(C2=NC1=O)CCO","FEIYGHYGVUZHOJ-UHFFFAOYSA-N",387296,NA,"PDBC29592","680990","Present",NA,NA
+"29593","8-(2-Hydroxyethyl)-3-methyl-6,7-diphenyl-pteridine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2-Hydroxyethyl)-3-methyl-6,7-diphenyl-pteridine-2,4-dione",NA,"CN1C(=O)C2=NC(=C(N(C2=NC1=O)CCO)C3=CC=CC=C3)C4=CC=CC=C4","AELTZGUQPMGONQ-UHFFFAOYSA-N",387298,NA,"PDBC29593","680992","Present",NA,NA
+"29594","8-(2-Hydroxyethyl)-6,7-diphenyl-pteridine-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2-Hydroxyethyl)-6,7-diphenyl-pteridine-2,4-dione",NA,"C1=CC=C(C=C1)C2=C(N(C3=NC(=O)NC(=O)C3=N2)CCO)C4=CC=CC=C4","LCNJEBVVWUEGJY-UHFFFAOYSA-N",387295,NA,"PDBC29594","680989","Present",NA,NA
+"29595","8-(2-Hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2-Hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol",NA,"CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=CC=CC=C4O","NCLNBERWMRBQDE-UHFFFAOYSA-N",381360,NA,"PDBC29595","667900","Present",NA,NA
+"29596","8-(2-Mercaptoethyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2-Mercaptoethyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCS","MCOOBAUNPPDZOC-UHFFFAOYSA-N",262397,NA,"PDBC29596","95865","Present",NA,NA
+"29597","8-(2-Methoxyanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2-Methoxyanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3OC","OOGWKEFOVSDBES-UHFFFAOYSA-N",378527,NA,"PDBC29597","661162","Present",NA,NA
+"29598","8-(2-Nitrophenyl)sulfonyl-1,2,3,4-tetrahydroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinol-SO2-(NO2)Ph",NA,"C1CC2=C(C(=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NC1","PYZIIXRFDQFOBL-UHFFFAOYSA-N",380124,NA,"PDBC29598","665526","Present",NA,NA
+"29599","8-(3,4,5-Trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3,4,5-Trimethoxyphenyl)-2,12,14-trioxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3OC5=C2C(=O)CC5)OCO4","ORJHTLCGWHLLIX-UHFFFAOYSA-N",358792,NA,"PDBC29599","618861","Present",NA,NA
+"29600","8-(3,4-Dichlorophenyl)-2-mercapto-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3,4-Dichlorophenyl)-2-mercapto-6-methyl-8,9-dihydro-7H-pyrimido[4,5-b][1,4]diazepin-4-ol",NA,"CC1=NC2=C(NC(C1)C3=CC(=C(C=C3)Cl)Cl)NC(=S)NC2=O","OHILTMDINUGCEO-UHFFFAOYSA-N",3004218,NA,"PDBC29600","636796","Present",NA,NA
+"29601","8-(3,4-Dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3,4-Dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one",NA,"COC1=C(C=C(C=C1)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO)OC","XCYHMCSRVSWZDC-UHFFFAOYSA-N",54579427,NA,"PDBC29601","751500","Present",NA,NA
+"29602","8-(3,5-Dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]i...",NA,"COC1=CC(=CC(=C1)CN2C=CC3=C2C4=C(CC3)C=NO4)OC","PBYHEHQUPPMFPG-UHFFFAOYSA-N",60148296,NA,"PDBC29602","754102","Present",NA,NA
+"29603","8-(3,5-Ditert-butyl-4-hydroxyphenyl)-6-hydroxy-6-(hydroxymethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;8-(3,5-ditert-butyl-4-hydroxyphenyl)-3-hydroxy-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3,5-Ditert-butyl-4-hydroxyphenyl)-6-hydroxy-6-(hydroxymethyl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid;8-(3,5-ditert-butyl-4-hydroxyphenyl)-3-hydroxy-2,5,12,14-tetraoxatetracyclo[7",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O","KEWPDUPQQHYUAD-UHFFFAOYSA-N",359116,NA,"PDBC29603","619694","Present",NA,NA
+"29604","8-(3-(1,3-Dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)propyl)-7-ethyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[3-(1,3-Dimethyl-2,6-dioxo-7H-purin-8-yl)propyl]-7-ethyl-1,3-dimethylpurine-2,6-dione",NA,"CCN1C(=NC2=C1C(=O)N(C(=O)N2C)C)CCCC3=NC4=C(N3)C(=O)N(C(=O)N4C)C","TWYDPXDSCBJXQG-UHFFFAOYSA-N",229726,NA,"PDBC29604","23583","Present",NA,NA
+"29605","8-(3-(1,3-Dioxolan-2-yl)-2-(4-fluorophenyl)propyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[3-(1,3-Dioxolan-2-yl)-2-(4-fluorophenyl)propyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione",NA,"CN1C(=O)C2(CCN(CC2)CC(CC3OCCO3)C4=CC=C(C=C4)F)N(C1=O)C","ANOMMQAZHCWMRH-UHFFFAOYSA-N",380302,NA,"PDBC29605","665782","Present",NA,NA
+"29606","8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one",NA,"C1CN(CCC12CNC(=O)N2C3=CC=CC=C3)CCCC4(OCCO4)C5=CC=C(C=C5)F","YHAAOYLFPAQIRN-UHFFFAOYSA-N",380016,NA,"PDBC29606","665311","Present",NA,NA
+"29607","8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3-(2-(4-Fluorophenyl)-1,3-dioxolan-2-yl)propyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol",NA,"C1CC2CC(CC1N2CCCC3(OCCO3)C4=CC=C(C=C4)F)(C5=CC=CC=C5)O","FBUQIOZUBBLBJP-UHFFFAOYSA-N",380293,NA,"PDBC29607","665774","Present",NA,NA
+"29608","8-(3-(2-Chlorophenothiazin-10-yl)propyl)-3-nortropanol ethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 8-[3-(2-chlorophenothia...",NA,"CCS(=O)(=O)O.C1CC2CC(CC1N2CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl)O","TZDSHVRGWKAGEA-UHFFFAOYSA-N",246378,NA,"PDBC29608","59349","Present",NA,NA
+"29609","8-(3-(4-(Hydroxy(oxido)amino)phenyl)propyl)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-8-[3-(4-nitrophenyl)propyl]-3,7-dihydro-1H-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCC3=CC=C(C=C3)[N+](=O)[O-]","XEDGZYRGDFZVQZ-UHFFFAOYSA-N",262428,NA,"PDBC29609","95916","Present",NA,NA
+"29610","8-(3-Amino-p-toluamido)-1,5-napthalene-trisulfonic acid trisodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3-Amino-p-toluamido)-1,3,5-napthalene-trisulfonic aci...",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N.[Na+]","QQLBHJSIIHPMIN-UHFFFAOYSA-N",54602151,NA,"PDBC29610","633094","Present",NA,NA
+"29611","8-(3-Benzylbenzimidazol-5-yl)-6-(1-cyclohexylbenzimidazol-5-yl)imidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(1-benzyl-1H-benzo[d]imidazol-6-yl)-6-(1-cyclohexyl-1H...",NA,"C1CCC(CC1)N2C=NC3=C2C=CC(=C3)C4=CN5C=CN=C5C(=N4)C6=CC7=C(C=C6)N=CN7CC8=CC=CC=C8","GLXVLHSJFJDBAD-UHFFFAOYSA-N",155809517,NA,"PDBC29611","798876","Present",NA,NA
+"29612","8-(3-Chloroanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3-Chloroanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC(=CC=C3)Cl","FULXGFDDQDQQJV-UHFFFAOYSA-N",378530,NA,"PDBC29612","661165","Present",NA,NA
+"29613","8-(3-Cyclohexylbenzimidazol-5-yl)-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(1-cyclohexyl-1H-benzo[d]imidazol-6-yl)-6-(4-methoxyph...",NA,"COC1=CC=C(C=C1)C2=CN3C=CN=C3C(=N2)C4=CC5=C(C=C4)N=CN5C6CCCCC6","VGPAWEQJKSLZJA-UHFFFAOYSA-N",155810732,NA,"PDBC29613","795379","Present",NA,NA
+"29614","8-(3-Hydroxy-6-oxo-xanthen-9-yl)naphthalene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3-Hydroxy-6-oxo-xanthen-9-yl)naphthalene-1-carboxylic acid",NA,"C1=CC2=C(C(=C1)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)C(=CC=C2)C(=O)O","DNVGCSHHOPOHOW-UHFFFAOYSA-N",275508,NA,"PDBC29614","122391","Present",NA,NA
+"29615","8-(3-Methoxyanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(3-Methoxyanilino)-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC(=CC=C3)OC","FHBFNNBSGGDUGZ-UHFFFAOYSA-N",378528,NA,"PDBC29615","661163","Present",NA,NA
+"29616","8-(3-Methoxyphenyl)-6,6a,6b,9a,10,14c-hexahydronaphtho[2,1-c]pyrrolo[3,4-a]carbazole-7,9(5H,8H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"13-(3-Methoxyphenyl)-9,13-diazahexacyclo[14.8.0.02,10.03,8.011,15.019,24]tetracosa-2(10),3,5,7,19,21,23-heptaene-12,14-dione",NA,"COC1=CC=CC(=C1)N2C(=O)C3C4CCC5=CC=CC=C5C4C6=C(C3C2=O)NC7=CC=CC=C76","LTIMEHVTSLNMHY-UHFFFAOYSA-N",378589,NA,"PDBC29616","661229","Present",NA,NA
+"29617","8-(3-Methoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dihydro-8-(3-methoxyphenyl)-6-methyl-6H-1,3-dioxolo(4,5-g)(1)benzopyran-6-ol",NA,"CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=CC=C4)OC)O","OBEWQTCNLDQARO-UHFFFAOYSA-N",146671,NA,"PDBC29617","601100","Present",NA,NA
+"29618","8-(4-(4-Fluorophenyl)-4-oxobutyl)-2-(4-morpholinyl)-2,8-diazaspiro[4.5]decane-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-(4-Fluorophenyl)-4-oxobutyl)-2-(4-morpholinyl)-2,8-diazaspiro[4.5]decane-1,3-dione",NA,"C1CN(CCC12CC(=O)N(C2=O)N3CCOCC3)CCCC(=O)C4=CC=C(C=C4)F","BUYMPLYEKPIXBO-UHFFFAOYSA-N",380315,NA,"PDBC29618","665794","Present",NA,NA
+"29619","8-(4-(Dimethylamino)benzylidene)-4-(4-(dimethylamino)phenyl)-5-methyl-3,4,5,6,7,8-hexahydro-2(1H)-quinazolinethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(8E)-4-[4-(Dimethylamino)phenyl]-8-[[4-(dimethylamino)phenyl]methylidene]-5-methyl-1,3,4,5,6,7-hexahydroquinazoline-2-thione",NA,"CC1CCC(=CC2=CC=C(C=C2)N(C)C)C3=C1C(NC(=S)N3)C4=CC=C(C=C4)N(C)C","QVQJIPZPBHGBJF-CAPFRKAQSA-N",5469613,NA,"PDBC29619","690750","Present",NA,NA
+"29620","8-(4-Acetyloxy-3,5-dimethoxyphenyl)-6-(acetyloxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Acetyloxy-3,5-dimethoxyphenyl)-6-(acetyloxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"CC(=O)OCC1=C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC(=O)C)OC)C(=O)O","VIHLJOULUJEJST-UHFFFAOYSA-N",358801,NA,"PDBC29620","618870","Present",NA,NA
+"29621","8-(4-Amino-1-methylbutyl)-amino-4-methyl-5, 2,6-hydrobromide, hemihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Amino-1-methylbutyl)-amino-4-methyl-5,6-dihydroxyqu...",NA,"CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)O)O","UGQWFQAHDSOGCH-UHFFFAOYSA-N",135492375,NA,"PDBC29621","742254","Present",NA,NA
+"29622","8-(4-Amino-1-methylbutyl)-amino-4-methyl-5, diphosphate,",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Amino-1-methylbutyl)-amino-4-methyl-5,6-dimethoxyqu...",NA,"CC1=C2C(=C(C=C(C2=NC=C1)NC(C)CCCN)OC)OC.OP(=O)(O)O","DSNRNBJXFVCLPZ-UHFFFAOYSA-N",45028339,NA,"PDBC29622","742253","Present",NA,NA
+"29623","8-(4-Amino-1-methylbutyl)amino-2-methyl-5, 2.3-hydrobromide, 0.8 hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Amino-1-methylbutyl)amino-2-methyl-5,6-dihydroxyqui...",NA,"CC1=NC2=C(C=C1)C(=C(C=C2NC(C)CCCN)O)O.Br","QQPCCNVXGMQMER-UHFFFAOYSA-N",135958398,NA,"PDBC29623","742256","Present",NA,NA
+"29624","8-(4-Bromo-phenyl)-4-methyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Bromo-phenyl)-4-methyl-8,9-dihydro-pyrano[2,3-f]chromene-2,10-dione",NA,"CC1=CC(=O)OC2=C1C=CC3=C2C(=O)CC(O3)C4=CC=C(C=C4)Br","GUHQXZPDNPRRCA-UHFFFAOYSA-N",382434,NA,"PDBC29624","669999","Present",NA,NA
+"29625","8-(4-Bromophenyl)-2-ethyl-2,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Bromophenyl)-5-ethyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one",NA,"CCN1C=C2C(=N1)N=C3N(C=NN3C2=O)C4=CC=C(C=C4)Br","LCWLYTDECDZELT-UHFFFAOYSA-N",388888,NA,"PDBC29625","684113","Present",NA,NA
+"29626","8-(4-Bromophenyl)-2-methyl-2,8-dihydro-4H-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-(4-Bromophenyl)-5-methyl-1,5,6,8,10,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one",NA,"CN1C=C2C(=N1)N=C3N(C=NN3C2=O)C4=CC=C(C=C4)Br","JAKDQERQITUHOY-UHFFFAOYSA-N",393546,NA,"PDBC29626","695608","Present",NA,NA
+"29627","8-(4-Chlorophenyl)-10-imino-4,6-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Chlorophenyl)-10-imino-4,6-diphenyl-2-oxa-4,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7),5,12-tetraen-11-amine",NA,"C1=CC=C(C=C1)C2=NN(C3=C2C(C4=C(O3)N=CN(C4=N)N)C5=CC=C(C=C5)Cl)C6=CC=CC=C6","ZMKLPZXNHDGVLZ-UHFFFAOYSA-N",391831,NA,"PDBC29627","691418","Present",NA,NA
+"29628","8-(4-Chlorophenyl)-6-oxo-2,3,5,11,12-pentazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),3,7,9,11,14,16,18,20-nonaene-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Chlorophenyl)-6-oxo-2,3,5,11,12-pentazapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-1(13),3,7,9,11,14,16,18,20-nonaene-7-carbonitrile",NA,"C1=CC=C2C(=C1)C=CC3=C2N=NC4=C5C(=C(C(=O)NC5=NN34)C#N)C6=CC=C(C=C6)Cl","AGHGGXIUGZFCRY-UHFFFAOYSA-N",135426590,NA,"PDBC29628","701021","Present",NA,NA
+"29629","8-(4-Chlorophenyl)-8-hydroxy-5-methyl-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Chlorophenyl)-8-hydroxy-5-methyl-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one",NA,"CC1=CSC(C2=NOC(=O)N12)(C3=CC=C(C=C3)Cl)O","PFZYNEDQOMUHNJ-UHFFFAOYSA-N",394938,NA,"PDBC29629","699038","Present",NA,NA
+"29630","8-(4-Chlorophenyl)-8-methoxy-5-methyl-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Chlorophenyl)-8-methoxy-5-methyl-[1,2,4]oxadiazolo[3,4-c][1,4]thiazin-3-one",NA,"CC1=CSC(C2=NOC(=O)N12)(C3=CC=C(C=C3)Cl)OC","BBMGMJVPBGHYGA-UHFFFAOYSA-N",394939,NA,"PDBC29630","699039","Present",NA,NA
+"29631","8-(4-Ethylpiperazin-1-yl)-6,7-dihydro-[1]benzoxepino[4,5-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1]Benzoxepino[4,5-c]quinoline, 8-(4-ethyl-1-piperazinyl)-",NA,"CCN1CCN(CC1)C2=NC3=CC=CC=C3C4=C2CCOC5=CC=CC=C54","MQWBPXHYMXZSRH-UHFFFAOYSA-N",391108,NA,"PDBC29631","689726","Present",NA,NA
+"29632","8-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Hydroxy-3,5-dimethoxyphenyl)-2-(2-hydroxyethyl)-5-oxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(9),3(7),10,15-tetraen-6-one",NA,"COC1=CC(=CC(=C1O)OC)C2C3=C(C=C4CCCC4=C3)N(C5=C2C(=O)OC5)CCO","KLVSBBRWPFKCDD-UHFFFAOYSA-N",54579200,NA,"PDBC29632","751501","Present",NA,NA
+"29633","8-(4-Hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carboxylic acid",NA,"COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3OC(=C2C(=O)O)CO)OCO4","PFTPEPVNAQKUBW-UHFFFAOYSA-N",358796,NA,"PDBC29633","618865","Present",NA,NA
+"29634","8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-ol",NA,"CC1C(C2=CC3=C(C=C2OC1O)OCO3)C4=CC(=C(C(=C4)OC)O)OC","XLMIVXYTLXWCIZ-UHFFFAOYSA-N",383128,NA,"PDBC29634","671169","Present",NA,NA
+"29635","8-(4-Hydroxy-3-methoxyphenyl)-12-(hydroxymethyl)-4-methoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Hydroxy-3-methoxyphenyl)-12-(hydroxymethyl)-4-methoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-ol",NA,"COC1=C(C=CC(=C1)C2C3COC(C3CO)C4=CC(=C(C=C24)O)OC)O","KBWKVVULAPXWFJ-UHFFFAOYSA-N",396065,NA,"PDBC29635","701565","Present",NA,NA
+"29636","8-(4-Hydroxy-3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Hydroxy-3-methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one",NA,"COC1=C(C=CC(=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)O","BAAZAAOLHHFWJV-UHFFFAOYSA-N",384851,NA,"PDBC29636","675369","Present",NA,NA
+"29637","8-(4-Methoxybenzyl)-7-phenyl-6,4-h]quinazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-methoxybenzyl)-7-phenyl-6,8-dihydro-5H-pyrrolo[3,4-...",NA,"COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC=CC=C4)CCC5=CN=CN=C53","HQQIJRFMQNQXAO-UHFFFAOYSA-N",44244173,NA,"PDBC29637","748036","Present",NA,NA
+"29638","8-(4-Methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Methoxyphenyl)-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one",NA,"COC1=CC=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4","ZXHDHQRXWBWDTH-UHFFFAOYSA-N",359106,NA,"PDBC29638","619688","Present",NA,NA
+"29639","8-(4-Methoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Methoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine",NA,"COC1=CC=C(C=C1)C2CCC3=C4C(=NC(=NC4=NC=C3C2)N)N","GPEFGEOGGKITPQ-UHFFFAOYSA-N",401169,NA,"PDBC29639","714365","Present",NA,NA
+"29640","8-(4-Methoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Methoxyphenyl)-7-methyl-N-phenyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,"CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4)OCO3)C5=CC=C(C=C5)OC","VPTPHZDINJQVJU-UHFFFAOYSA-N",381367,NA,"PDBC29640","667907","Present",NA,NA
+"29641","8-(4-Methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Methylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane",NA,"CC1=CC=C(C=C1)N2CCC3(CC2)OCCO3","HDWQEIDJLZGCLQ-UHFFFAOYSA-N",389879,NA,"PDBC29641","686507","Present",NA,NA
+"29642","8-(4-Nitro-benzyloxy)-quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-Nitro-benzyloxy)-quinoline",NA,"C1=CC2=C(C(=C1)OCC3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2","JGDBDRRKKSGUJT-UHFFFAOYSA-N",372051,NA,"PDBC29642","646911","Present",NA,NA
+"29643","8-(4-{4-[6-(4-Piperazinoquinazoline)-7-methoxy-2,5,11-atetrahydra-1H-benzo[e]pyrrolo[1,2-c][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(4-{4-[6-(4-piperazinoquinazoline)-7-methoxy-2,3,5,11-...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCN4CCN(CC4)C5=NC=NC6=CC=CC=C65","BOCPXUYVMAKHTQ-UHFFFAOYSA-N",45028589,NA,"PDBC29643","743433","Present",NA,NA
+"29644","8-(5-Amino-3-phenylpyrazol-1-yl)-1,3-dimethyl-7H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(5-Amino-3-phenyl-1h-pyrazol-1-yl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N3C(=CC(=N3)C4=CC=CC=C4)N","WOCNOHINDTULBH-UHFFFAOYSA-N",404394,NA,"PDBC29644","720611","Present",NA,NA
+"29645","8-(5-Carbazol-9-yl-pentyloxy)-7-methoxy-1,3,11a-tetrahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(5-Carbazol-9-yl-pentyloxy)-7-methoxy-1,2,3,11a-tetrah...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4C5=CC=CC=C5C6=CC=CC=C64","OOOSACQKAOJLLU-NRFANRHFSA-N",45028943,NA,"PDBC29645","744990","Present",NA,NA
+"29646","8-(5-Hexylfuran-2-yl)octanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(5-hexyl-2-furyl)octanoic acid",NA,"CCCCCCC1=CC=C(O1)CCCCCCCC(=O)O","SZNVIDWMWMWUCY-UHFFFAOYSA-N",395943,NA,"PDBC29646","701061","Present",NA,NA
+"29647","8-(6-Amino-9H-purin-9-yl)-2,2,4,4-tetraisopropyltetrahydro-6H-furo(3,2-f)(1,3,5,2,4)trioxadisilocin-9-ylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"adenosine, 2'-amino-2'-deoxy-3',5'- o-[1,1,3,3-tetrakis(...",NA,"CC(C)[Si]1(OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)N)O[Si](O1)(C(C)C)C(C)C)C(C)C","DSZXWOYSCQODMD-UHFFFAOYSA-N",390181,NA,"PDBC29647","687330","Present",NA,NA
+"29648","8-(6-Fluorohexyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(6-Fluorohexyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione",NA,"CN1C(=O)C2(CCN(CC2)CCCCCCF)N(C1=O)C","CGHXRYBTGSMLOS-UHFFFAOYSA-N",380338,NA,"PDBC29648","665864","Present",NA,NA
+"29649","8-(Benzenesulfonyl)-1,2,3,4-tetrahydroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinol-SO2-Ph",NA,"C1CC2=C(C(=CC=C2)S(=O)(=O)C3=CC=CC=C3)NC1","LAWQRIVTKICLAW-UHFFFAOYSA-N",380123,NA,"PDBC29649","665525","Present",NA,NA
+"29650","8-(Benzenesulfonyl)-8-[2-(1,3-dioxolan-2-yl)ethyl]-1,4-dioxaspiro[4.5]dec-9-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,6-(Ethylenedioxy)-3-[3,3(ethylenedioxy)propyl]-3-(phen...",NA,"C1CC2(C=CC1(CCC3OCCO3)S(=O)(=O)C4=CC=CC=C4)OCCO2","LLJKDTUFFIWAGL-UHFFFAOYSA-N",377226,NA,"PDBC29650","658460","Present",NA,NA
+"29651","8-(Benzyloxy)-2,3,9-trimethoxybenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Benzyloxy)-2,3,9-trimethoxybenzo[c]phenanthridine",NA,"COC1=C(C=C2C(=C1)C=CC3=C2N=CC4=CC(=C(C=C34)OC)OCC5=CC=CC=C5)OC","IOLQBFMPVNSVGA-UHFFFAOYSA-N",371212,NA,"PDBC29651","645261","Present",NA,NA
+"29652","8-(Benzyloxy)-5,7-dimethoxy-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Benzyloxy)-5,7-dimethoxy-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one",NA,"COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=CO5)C=CC=C4OCC6=CC=CC=C6)OC","ZKDAMBXKCOTLBW-UHFFFAOYSA-N",374694,NA,"PDBC29652","652861","Present",NA,NA
+"29653","8-(Benzyloxy)-5,7-dimethoxy-2-(trimethylsilyl)-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,20-Dimethoxy-18-phenylmethoxy-7-trimethylsilyl-8,12-dioxapentacyclo[11.8.0.02,10.05,9.014,19]henicosa-1(21),2,4,6,9,13,15,17,19-nonaen-11-one",NA,"COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=C(O5)[Si](C)(C)C)C=CC=C4OCC6=CC=CC=C6)OC","QKKWAAGASGDMQR-UHFFFAOYSA-N",374692,NA,"PDBC29653","652859","Present",NA,NA
+"29654","8-(Benzylsulfanylmethyl)-1,3-dimethyl-7H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(benzylthiomethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-d...",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CSCC3=CC=CC=C3","FEHAMBYTUPDFJE-UHFFFAOYSA-N",262425,NA,"PDBC29654","95910","Present",NA,NA
+"29655","8-(Bis(methylthio)methylene)-5,6-dimethoxycyclopenta[ij]isoquinolin-7(8H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Bis(methylthio)methylene)-5,6-dimethoxycyclopenta[ij]isoquinolin-7(8H)-one",NA,"COC1=C(C2=C3C(=C1)C=CN=C3C(=C(SC)SC)C2=O)OC","WBYOFJLCELJXPP-UHFFFAOYSA-N",363007,NA,"PDBC29655","627546","Present",NA,NA
+"29656","8-(Cinnamoyloxy)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK182880",NA,"C1=CC=C(C=C1)C=CC(=O)OC2=CC=CC3=C2N=CC=C3","MGYIGSPQIHQSAA-VAWYXSNFSA-N",701842,NA,"PDBC29656","646913","Present",NA,NA
+"29657","8-(Dimethoxyphosphorylmethyl)-3-methoxy-2-phenyl-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Dimethoxyphosphorylmethyl)-3-methoxy-2-phenyl-chromen-4-one",NA,"COC1=C(OC2=C(C=CC=C2C1=O)CP(=O)(OC)OC)C3=CC=CC=C3","JYIDRZCWGQCXLJ-UHFFFAOYSA-N",388157,NA,"PDBC29657","682721","Present",NA,NA
+"29658","8-(Dimethylamino)-10H-isoindolo[1,2-b]quinazolin-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Dimethylamino)-10H-isoindolo[1,2-b]quinazolin-12-one",NA,"CN(C)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2","DGPHOBYYTOOJJE-UHFFFAOYSA-N",24202089,NA,"PDBC29658","625616","Present",NA,NA
+"29659","8-(Dimethylamino)methyleneamino-6-methoxyquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69605",NA,"CN(C)C=NC1=C2C(=CC(=C1)OC)C=CC=N2","BUXTWLVXBUNDQZ-UHFFFAOYSA-N",16986,NA,"PDBC29659","665668","Present",NA,NA
+"29660","8-(Ethoxymethyl)-2,2-dimethyl-3,4-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Ethoxymethyl)-2,2-dimethyl-3,4-dihydro-2H,6H-pyrano[3,2-g]chromen-6-one",NA,"CCOCC1=CC(=O)C2=C(O1)C=C3C(=C2)CCC(O3)(C)C","DBNRRYGRPNYFHZ-UHFFFAOYSA-N",362032,NA,"PDBC29660","625531","Present",NA,NA
+"29661","8-(Hydroxy(oxido)amino)thiopyrano(4,3-b)indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Nitrothiopyrano[4,3-b]indole",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C3=CSC=CC3=N2","XQKRTZMIIZVRBC-UHFFFAOYSA-N",289127,NA,"PDBC29661","150771","Present",NA,NA
+"29662","8-(Pentafluoroaniline)-3,6-octadiene pyrophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Pentafluoroaniline)-3,7-dimethyl-2,6-octadiene pyroph...",NA,"CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNC1=C(C(=C(C(=C1F)F)F)F)F.N","PCKDBUCNCIBQOG-QHTQRYBISA-N",5473020,NA,"PDBC29662","723482","Present",NA,NA
+"29663","8-(Pentafluoroaniline)-3,6-octadienol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Pentafluoroaniline)-3,7-dimethyl-2,6-octadienol",NA,"CC(=CCO)CCC=C(C)CNC1=C(C(=C(C(=C1F)F)F)F)F","DZRDNEFLXJIGLO-TXFIJWAUSA-N",5473026,NA,"PDBC29663","723486","Present",NA,NA
+"29664","8-(Triphenylgermyloxy)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Triphenylgermyloxy)quinoline",NA,"C1=CC=C(C=C1)[Ge](C2=CC=CC=C2)(C3=CC=CC=C3)OC4=CC=CC5=C4N=CC=C5","PICPEINIERPLJG-UHFFFAOYSA-N",16683580,NA,"PDBC29664","644929","Present",NA,NA
+"29665","8-(p-Nitroaniline)-3,6-octadiene pyrophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(p-Nitroaniline)-3,7-dimethyl-2,6-octadiene pyrophosphate",NA,"CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNC1=CC=C(C=C1)[N+](=O)[O-].N","KGDNQVFSLBDPMI-RAIOURIHSA-N",5473018,NA,"PDBC29665","723481","Present",NA,NA
+"29666","8-(p-Nitroaniline)-3,7-dimethyl-2,6-octadienol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(p-Nitroaniline)-3,7-dimethyl-2,6-octadienol",NA,"CC(=CCO)CCC=C(C)CNC1=CC=C(C=C1)[N+](=O)[O-]","VFTGLKIJFDTNHS-NCLYQNMFSA-N",5473025,NA,"PDBC29666","723485","Present",NA,NA
+"29667","8-Allyl-2-imino-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASN 01280184",NA,"C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)N","NHLQWUMWDBCLPG-UHFFFAOYSA-N",395947,NA,"PDBC29667","701071","Present",NA,NA
+"29668","8-Amino-10,10-dioxophenoxathiin-2-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Aminophenoxathiin-2-ol 10,10-dioxide",NA,"C1=CC2=C(C=C1N)S(=O)(=O)C3=C(O2)C=CC(=C3)O","WHVYFGXMDZWMPK-UHFFFAOYSA-N",289823,NA,"PDBC29668","152120","Present",NA,NA
+"29669","8-Amino-10-phenylphenazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2(10H)-Phenazinone, 8-amino-10-phenyl- (8CI9CI)",NA,"C1=CC=C(C=C1)N2C3=CC(=O)C=CC3=NC4=C2C=C(C=C4)N","QCHOECSVKPOYKN-UHFFFAOYSA-N",233296,NA,"PDBC29669","31702","Present",NA,NA
+"29670","8-Amino-11h-isoindolo[2,1-a]benzimidazol-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Amino-11h-isoindolo[2,1-a]benzimidazol-11-one",NA,"C1=CC=C2C(=C1)C3=NC4=C(N3C2=O)C=C(C=C4)N","MMPOGAGHDUYVQF-UHFFFAOYSA-N",377708,NA,"PDBC29670","659299","Present",NA,NA
+"29671","8-Amino-16-azadispiro[6.1.6^{9}.2^{7}]heptadecan-17-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Amino-16-azadispiro[6.1.6^{9}.2^{7}]heptadecan-17-one",NA,"C1CCCC2(CC1)C(C3(CCCCCC3)NC2=O)N","VYDUQVXUWUXMJK-UHFFFAOYSA-N",363347,NA,"PDBC29671","628203","Present",NA,NA
+"29672","8-Amino-4-aza-6-octynylaziridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-amino-4-aza-6-octynylaziridine",NA,"C1CN1CCCNCC#CCN","NPBPFNWIKSGHFB-UHFFFAOYSA-N",381022,NA,"PDBC29672","667006","Present",NA,NA
+"29673","8-Amino-5-methyl-6-phenylphenanthridin-5-ium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthridinium, 8-amino-5-methyl-6-phenyl-bromide",NA,"C[N+]1=C(C2=C(C=CC(=C2)N)C3=CC=CC=C31)C4=CC=CC=C4.[Br-]","ZWHJMVSYRFESFE-UHFFFAOYSA-M",21144180,NA,"PDBC29673","35441","Present",NA,NA
+"29674","8-Amino-9-benzylguanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-ABG",NA,"C1=CC=C(C=C1)CN2C3=C(C(=O)NC(=N3)N)N=C2N","DPDYTYOWSIRPMB-UHFFFAOYSA-N",135408972,NA,"PDBC29674","650999","Present",NA,NA
+"29675","8-Aminoindeno[1,2-b]quinoxalin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Amino-11H-indeno[1,2-b]quinoxalin-11-one",NA,"C1=CC=C2C(=C1)C3=NC4=C(C=C(C=C4)N)N=C3C2=O","DLFOCGCKKMRJQI-UHFFFAOYSA-N",377392,NA,"PDBC29675","658834","Present",NA,NA
+"29676","8-Aminoquinoline-5,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Aminoquinoline-5,6-dione",NA,"C1=CC2=C(C(=CC(=O)C2=O)N)N=C1","WIPMQCOMGHCENO-UHFFFAOYSA-N",279596,NA,"PDBC29676","130785","Present",NA,NA
+"29677","8-Aniline-3,6-octadiene Methylenediphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Aniline-3,7-dimethyl-2,6-octadiene Methylenediphosphonate",NA,"CC(=CCOP(=O)(CP(=O)(O)O)O)CCC=C(C)CNC1=CC=CC=C1.N","YTJZCLWKCDETDU-FHFBBBDASA-N",5473022,NA,"PDBC29677","723483","Present",NA,NA
+"29678","8-Aniline-3,6-octadiene Pyrophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Aniline-3,7-dimethyl-2,6-octadiene Pyrophosphate",NA,"CC(=CCOP(=O)(O)OP(=O)(O)O)CCC=C(C)CNC1=CC=CC=C1.N","QGIJJLZOUPJXAW-NTBORDEGSA-N",5473016,NA,"PDBC29678","723480","Present",NA,NA
+"29679","8-Aniline-3,6-octadiene-S-L-cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Aniline-3,7-dimethyl-2,6-octadiene-S-L-cysteine",NA,"CC(=CCSCC(C(=O)O)N)CCC=C(C)CNC1=CC=CC=C1","HIBWUMRSDSPMOM-ZYHSJPTQSA-N",5473027,NA,"PDBC29679","723487","Present",NA,NA
+"29680","8-Aniline-3,7-dimethyl-2,6-octadienol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Aniline-3,7-dimethyl-2,6-octadienol",NA,"CC(=CCO)CCC=C(C)CNC1=CC=CC=C1","JVVQYWITFPUEFG-GGQZXFEVSA-N",5473024,NA,"PDBC29680","723484","Present",NA,NA
+"29681","8-Anilino-1,3-dimethyl-7H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK700967",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=CC=C3","RXCJTNUAETXUOY-UHFFFAOYSA-N",378526,NA,"PDBC29681","661161","Present",NA,NA
+"29682","8-Anilinoquinoline-5,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC89400",NA,"C1=CC=C(C=C1)NC2=CC(=O)C(=O)C3=C2N=CC=C3","AMWHXDZWCAJAAT-UHFFFAOYSA-N",259448,NA,"PDBC29682","89400","Present",NA,NA
+"29683","8-Aza-CPE-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Aza-CPE-A",NA,"C1=C(C(C(C1N2C3=NC=NC(=C3N=N2)N)O)O)CO","MKYLDGSBJBSNFN-UHFFFAOYSA-N",355280,NA,"PDBC29683","608621","Present",NA,NA
+"29684","8-Azaguanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Azaguanine",NA,"C12=NNN=C1N=C(NC2=O)N","LPXQRXLUHJKZIE-UHFFFAOYSA-N",135403646,NA,"PDBC29684","749","Present",NA,NA
+"29685","8-Azahypoxanthine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ae 200",NA,"C1=NC2=NNN=C2C(=O)N1","OEEYCNOOAHGFHL-UHFFFAOYSA-N",135410720,NA,"PDBC29685","22709","Present",NA,NA
+"29686","8-Azainosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC130279",NA,"C1=NC2=C(C(=O)N1)N=NN2C3C(C(C(O3)CO)O)O","NNCMCLOTZNUFJG-UHFFFAOYSA-N",135443893,NA,"PDBC29686","130279","Present",NA,NA
+"29687","8-Benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile",NA,"C1CN(C(CC12OCCO2)C#N)C(=O)C3=CC=CC=C3","YWXBZXLIVQMACV-UHFFFAOYSA-N",358289,NA,"PDBC29687","618231","Present",NA,NA
+"29688","8-Benzyl-1,3,8-triazaspiro[4.5]decan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-D0365",NA,"C1CN(CCC12CNC(=O)N2)CC3=CC=CC=C3","ZIILOBDVULJBMD-UHFFFAOYSA-N",379978,NA,"PDBC29688","665285","Present",NA,NA
+"29689","8-Benzyl-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Benzyl-1-phenyl-3-oxa-1,8-diazaspiro[4.5]decan-4-one",NA,"C1CN(CCC12C(=O)OCN2C3=CC=CC=C3)CC4=CC=CC=C4","KEAGWICSOSRQCS-UHFFFAOYSA-N",380263,NA,"PDBC29689","665741","Present",NA,NA
+"29690","8-Benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Benzyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6,7-dicarboxylic acid",NA,"C1=CC=C(C=C1)CN2C3C=CC(=O)C2C(C3C(=O)O)C(=O)O","RIJSDQUHLSYCDR-UHFFFAOYSA-N",434893,NA,"PDBC29690","360215","Present",NA,NA
+"29691","8-Benzyloxyquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCRIS 7820",NA,"C1=CC=C(C=C1)COC2=CC=CC3=C2N=CC=C3","FPFKXDKOMIEEPB-UHFFFAOYSA-N",150728,NA,"PDBC29691","646915","Present",NA,NA
+"29692","8-Benzyltheophylline-7-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/UO7452650",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CC3=CC=CC=C3)CC(=O)O","SDKPPSAEKUFQKQ-UHFFFAOYSA-N",225067,NA,"PDBC29692","14141","Present",NA,NA
+"29693","8-Bromo-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,"C1C2C(C3=C(O1)C=CC(=C3)Br)N(N=C2C4=CC=CC=C4)C5=CC=CC=C5","AHEUPDMAZMYINJ-UHFFFAOYSA-N",371903,NA,"PDBC29693","646487","Present",NA,NA
+"29694","8-Bromo-11-((2-((diethylamino)methyl)-1-piperidinyl)acetyl)-5,11-dihydro-6H-pyrido[2,3-b][1,4]benzodiazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-11-[2-[2-(diethylaminomethyl)-1-piperidyl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one",NA,"CCN(CC)CC1CCCCN1CC(=O)N2C3=C(C=C(C=C3)Br)C(=O)NC4=C2N=CC=C4","NAHUTNUVFDAUFI-UHFFFAOYSA-N",379653,NA,"PDBC29694","664531","Present",NA,NA
+"29695","8-Bromo-2,6-ditert-butyl-4,4-bis(trifluoromethyl)-3,1-benzoxazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-2,6-ditert-butyl-4,4-bis(trifluoromethyl)-3,1-benzoxazine",NA,"CC(C)(C)C1=CC2=C(C(=C1)Br)N=C(OC2(C(F)(F)F)C(F)(F)F)C(C)(C)C","ATUMGJXHMIQVJU-UHFFFAOYSA-N",358634,NA,"PDBC29695","618644","Present",NA,NA
+"29696","8-Bromo-2-phenyl-1-aza-azulene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-bromo-2-phenyl-1-aza-azulene",NA,"C1=CC=C(C=C1)C2=CC3=CC=CC=C(C3=N2)Br","QNMUGGOJOCUOBL-UHFFFAOYSA-N",368742,NA,"PDBC29696","639896","Present",NA,NA
+"29697","8-Bromo-3-(2-chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-3-(2-chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,"C1C2C(C3=C(O1)C=CC(=C3)Br)N(N=C2C4=CC=CC=C4Cl)C5=CC=CC=C5","IIFUZKSFQBDFEV-UHFFFAOYSA-N",371899,NA,"PDBC29697","646483","Present",NA,NA
+"29698","8-Bromo-3-(3-nitrophenyl)-1-phenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-3-(3-nitrophenyl)-1-phenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole",NA,"C1C2C(C3=C(O1)C=CC(=C3)Br)N(N=C2C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5","USKXNVQGGUMSLO-UHFFFAOYSA-N",371905,NA,"PDBC29698","646489","Present",NA,NA
+"29699","8-Bromo-3-(4-chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-3-(4-chlorophenyl)-1-phenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,"C1C2C(C3=C(O1)C=CC(=C3)Br)N(N=C2C4=CC=C(C=C4)Cl)C5=CC=CC=C5","PHCBCVPVOMIBHS-UHFFFAOYSA-N",371904,NA,"PDBC29699","646488","Present",NA,NA
+"29700","8-Bromo-4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-bromo-4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-bromo-4,4-bis(3-chloro-4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11",NA,"C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3(C4=CC(=C(C=C4)O)Cl)C5=CC(=C(C=C5)O)Cl)Br.C1=CC2=C(C=CC3=C2C(=C1)C(OC3=O)(C4=CC(=C(C=C4)O)Cl)C5=CC(=C(C=C5)O)Cl)Br","NREBNCDEBCZCTC-UHFFFAOYSA-N",403903,NA,"PDBC29700","719490","Present",NA,NA
+"29701","8-Bromo-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-5-hydroxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylic acid",NA,"C1C(CC(=O)C2=C(C=CC(=C21)Br)O)C(=O)O","ZSMZEDKZTKPIIP-UHFFFAOYSA-N",356174,NA,"PDBC29701","611257","Present",NA,NA
+"29702","8-Bromo-7-[(4-methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-bromo-7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5...",NA,"COC1=CC=C(C=C1)CN2C(=C3CCC4=C(C3=C2Br)N=C(S4)N)C5=CC(=C(C(=C5)OC)OC)OC","QLXNDSUCMQDDCZ-UHFFFAOYSA-N",155806799,NA,"PDBC29702","766946","Present",NA,NA
+"29703","8-Bromo-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide",NA,"C1=CC2=C(C(=C1)Br)OC(=O)C(=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl","HFGYNHSOQJDCMN-UHFFFAOYSA-N",359686,NA,"PDBC29703","621101","Present",NA,NA
+"29704","8-Bromo-phenothiazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Bromo-phenothiazone",NA,"C1=CC2=C(C=C1Br)N=C3C=CC(=O)C=C3S2","UIAFEZIAARMPOQ-UHFFFAOYSA-N",369383,NA,"PDBC29704","641145","Present",NA,NA
+"29705","8-Butan-2-yloxy-1,3,7-trimethylpurine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Butan-2-yloxy)-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione",NA,"CCC(C)OC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C","JVLWIYUGIAWBJL-UHFFFAOYSA-N",223541,NA,"PDBC29705","11276","Present",NA,NA
+"29706","8-Chloro-1,2,3,6,7,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-1,2,3,6,7,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-one",NA,"C1CC2C=C(CCC(=O)N2C1)Cl","KTLZHGMICIFUTM-UHFFFAOYSA-N",372123,NA,"PDBC29706","647068","Present",NA,NA
+"29707","8-Chloro-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,"C1C2C(C3=C(O1)C=CC(=C3)Cl)N(N=C2C4=CC=CC=C4)C5=CC=CC=C5","USZXMYNZUVAVQH-UHFFFAOYSA-N",371902,NA,"PDBC29707","646486","Present",NA,NA
+"29708","8-Chloro-10-(4-chlorophenyl)-3-methylbenzo[g]pteridine-2,4(3H,10H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4-dione, 8-chloro-10-(4-chlorophenyl...",NA,"CN1C(=O)C2=NC3=C(C=C(C=C3)Cl)N(C2=NC1=O)C4=CC=C(C=C4)Cl","GJTZPMOIPVBQSW-UHFFFAOYSA-N",363245,NA,"PDBC29708","627991","Present",NA,NA
+"29709","8-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CN1C2=C(C=C(C=C2)Cl)C3=C1C4=C(C=C3)C(=O)C=CC4=O","PSOMQBRYIGZTAE-UHFFFAOYSA-N",378580,NA,"PDBC29709","661220","Present",NA,NA
+"29710","8-Chloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide",NA,"CC1=CC2=C(C3=C(C2=O)C(=CC=C3)Cl)C(=C1C)C(=O)N","JOUFGOJEGNEWMN-UHFFFAOYSA-N",364126,NA,"PDBC29710","629795","Present",NA,NA
+"29711","8-Chloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxylic acid",NA,"CC1=CC2=C(C3=C(C2=O)C(=CC=C3)Cl)C(=C1C)C(=O)O","TZBWRFSJNNECLF-UHFFFAOYSA-N",362324,NA,"PDBC29711","625960","Present",NA,NA
+"29712","8-Chloro-2,5,-dioxo-2,3-dihyd ro-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-2,7-dimethyl-3-(dimethylamino)-5,5,-dioxo-2,3-d...",NA,"CC1=CC2=C(C=C1Cl)SC3=NN(C(N3S2(=O)=O)N(C)C)C","BNFACOTTZUKGOQ-UHFFFAOYSA-N",24206079,NA,"PDBC29712","740016","Present",NA,NA
+"29713","8-Chloro-2,5,5,-trioxo-2H-[1,2,3,5]thiatriazolo [4,5-b][1,4,2]benzodithiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-2,7-dimethyl-3,5,5,-trioxo-2H-[1,2,3,5]thiatria...",NA,"CC1=CC2=C(C=C1Cl)SC3=NN(S(=O)N3S2(=O)=O)C","RYLAOGKMABRMDF-UHFFFAOYSA-N",24206082,NA,"PDBC29713","740019","Present",NA,NA
+"29714","8-Chloro-2,7-trimethyl-5,5-dioxo-2,3-dihydro-[1,2,4]triazo lo[4,3-b][1,4,2]benzodithiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-2,3,7-trimethyl-5,5-dioxo-2,3-dihydro-[1,2,4]tr...",NA,"CC1N(N=C2N1S(=O)(=O)C3=C(S2)C=C(C(=C3)C)Cl)C","KIOWJGIWHRPPRC-UHFFFAOYSA-N",24206078,NA,"PDBC29714","740015","Present",NA,NA
+"29715","8-Chloro-2-cyclohexyl-3H-quinazolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-2-cyclohexylquinazolin-4(1H)-one",NA,"C1CCC(CC1)C2=NC3=C(C=CC=C3Cl)C(=O)N2","BBCWMQLQTZUCOF-UHFFFAOYSA-N",135408204,NA,"PDBC29715","627405","Present",NA,NA
+"29716","8-Chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-2-phenyl-3,5-dihydro-2H-1,5-benzothiazepine-4-thione",NA,"C1C(SC2=C(C=CC(=C2)Cl)NC1=S)C3=CC=CC=C3","XQEPBFCWLOZDIO-UHFFFAOYSA-N",3005002,NA,"PDBC29716","667461","Present",NA,NA
+"29717","8-Chloro-2-phenylquinolin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM439147123",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C(=CC=C3)Cl","FKESBVHFFXMUOC-UHFFFAOYSA-N",373180,NA,"PDBC29717","649129","Present",NA,NA
+"29718","8-Chloro-2-piperazin-1-yl-6-pyrrolidin-1-yl-7H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-2-piperazin-1-yl-6-pyrrolidin-1-yl-7H-purine",NA,"C1CCN(C1)C2=NC(=NC3=C2NC(=N3)Cl)N4CCNCC4","IWAHIULAFFMPDS-UHFFFAOYSA-N",6712882,NA,"PDBC29718","717852","Present",NA,NA
+"29719","8-Chloro-3,7-dimethyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-3,7-dimethyl[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine 5,5-dioxide",NA,"CC1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)C","MTBVWWAHFZFESK-UHFFFAOYSA-N",384340,NA,"PDBC29719","674025","Present",NA,NA
+"29720","8-Chloro-3-(2-hydroxyphenyl)-2-methyl-5,3-dihydro-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-3-(2-hydroxyphenyl)-2-methyl-5,5-dioxo-2,3-dihy...",NA,"CC1=CC2=C(C=C1Cl)SC3=NN(C(N3S2(=O)=O)C4=CC=CC=C4O)C","PHVMSKOMWIHROL-UHFFFAOYSA-N",24206081,NA,"PDBC29720","740018","Present",NA,NA
+"29721","8-Chloro-3-(3,2,4-triazol o[4,3-b][1,2,4]benzodithiazine-5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-chloro-3-(3,5-dimethoxyphenylamino)-7-methyl-1,2,4-tri...",NA,"CC1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)NC4=CC(=CC(=C4)OC)OC","JTJKRUAONDGUQN-UHFFFAOYSA-N",404436,NA,"PDBC29721","720641","Present",NA,NA
+"29722","8-Chloro-3-(3,5-dimethylanilino)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-chloro-7-cyano-3-(3,5-dimethylphenylamino)-1,2,4-triaz...",NA,"CC1=CC(=CC(=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C#N)Cl)C","FSNBMYRSBZDERO-UHFFFAOYSA-N",405676,NA,"PDBC29722","723133","Present",NA,NA
+"29723","8-Chloro-3-(4-methylphenylamino)-7-methoxycarbonyl-1,4-tri azolo[4,3-b][1,2,4]benzodithiazine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-chloro-3-(4-methylphenylamino)-7-methoxycarbonyl-1,2,4...",NA,"CC1=CC=C(C=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C(=O)OC)Cl","BPNWIHSWBIGWGL-UHFFFAOYSA-N",404438,NA,"PDBC29723","720643","Present",NA,NA
+"29724","8-Chloro-3-(naphthalen-1-ylamino)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-7-cyano-3-(1-naphthylamino)-5,5-dioxo[1,2,4]tri...",NA,"C1=CC=C2C(=C1)C=CC=C2NC3=NN=C4N3S(=O)(=O)C5=C(S4)C=C(C(=C5)C#N)Cl","IXXLANTTYYZKPE-UHFFFAOYSA-N",406667,NA,"PDBC29724","724907","Present",NA,NA
+"29725","8-Chloro-3-methyl-5-(3-methyl-2-butenyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-3-methyl-5-(3-methyl-2-butenyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,"CC1CN(C2=C(C=C(C=C2)Cl)NC1=O)CC=C(C)C","IEKPKTYPUHPWGX-UHFFFAOYSA-N",377484,NA,"PDBC29725","658952","Present",NA,NA
+"29726","8-Chloro-3-phenyl-7-methyl-5,3-c][1,5,2]benzodithiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-3-phenyl-7-methyl-5,5-dioxo-2H-pyrrolo[2,3-c][1...",NA,"CC1=CC2=C(C=C1Cl)SC3=CC(=O)N(C3=NS2(=O)=O)C4=CC=CC=C4","ZCPPGNWHNUHZHA-UHFFFAOYSA-N",24203097,NA,"PDBC29726","726721","Present",NA,NA
+"29727","8-Chloro-3-phenylamino-7-methoxycarbonyl-1,4-triazolo[4,3-b][1,2,4]benzodithiazine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-chloro-3-phenylamino-7-methoxycarbonyl-1,2,4-triazolo[...",NA,"COC(=O)C1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)NC4=CC=CC=C4","HJBCCCULLYRLMA-UHFFFAOYSA-N",404437,NA,"PDBC29727","720642","Present",NA,NA
+"29728","8-Chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-2-one;10-chloro-4,4-bis(4-hydroxyphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-2-one",NA,"C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)Cl.C1=CC2=C(C=CC3=C2C(=C1)C(OC3=O)(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O)Cl","NHDORYPFBIAQEF-UHFFFAOYSA-N",403900,NA,"PDBC29728","719489","Present",NA,NA
+"29729","8-Chloro-4-(2-chloroethylimino)-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepin-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-4-(2-chloroethylamino)-3,3a-dihydro-1H-thiazolo[4,3-c][1,4]benzodiazepin-10-one",NA,"C1C2C(=NCCCl)NC3=C(C=C(C=C3)Cl)C(=O)N2CS1","GRTRBFAWGBVBRM-UHFFFAOYSA-N",135450447,NA,"PDBC29729","683499","Present",NA,NA
+"29730","8-Chloro-4-cyclopentylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-4-cyclopentylimino-1,3,3a,5-tetrahydro-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,"C1CCC(C1)N=C2C3CSCN3C(=S)C4=C(N2)C=CC(=C4)Cl","FVAPDYGZWZZXLM-UHFFFAOYSA-N",135442872,NA,"PDBC29730","683494","Present",NA,NA
+"29731","8-Chloro-4-hydrazinyl-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-4-hydrazinyl-3,3a-dihydro-1H-[1,3]thiazolo[4,3-c][1,4]benzodiazepine-10-thione",NA,"C1C2C(=NC3=C(C=C(C=C3)Cl)C(=S)N2CS1)NN","HATWQKDDHAGOLG-UHFFFAOYSA-N",3005214,NA,"PDBC29731","683493","Present",NA,NA
+"29732","8-Chloro-4-imino-12,24-dithia-1,5,14,16-tetrazaheptacyclo[15.13.0.03,15.05,13.06,11.018,23.025,30]triaconta-3(15),6(11),7,9,13,16,18,20,22,25,27,29-dodecaen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-4-imino-12,24-dithia-1,5,14,16-tetrazaheptacyclo[15.13.0.03,15.05,13.06,11.018,23.025,30]triaconta-3(15),6(11),7,9,13,16,18,20,22,25,27,29-dodecaen-2-one",NA,"C1=CC=C2C(=C1)C3=NC4=C(C(=N)N5C6=C(C=CC(=C6)Cl)SC5=N4)C(=O)N3C7=CC=CC=C7S2","RZVMYZLODIBHOZ-UHFFFAOYSA-N",60148254,NA,"PDBC29732","754054","Present",NA,NA
+"29733","8-Chloro-4-methyl-2,3-dihydro-furo[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-4-methyl-2,3-dihydro-furo[3,2-c]quinoline",NA,"CC1=C2CCOC2=C3C=C(C=CC3=N1)Cl","KGUGXKPDOPTYLQ-UHFFFAOYSA-N",387227,NA,"PDBC29733","680789","Present",NA,NA
+"29734","8-Chloro-4-methyl-2,3-dihydrothieno[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/14512029",NA,"CC1=C2CCSC2=C3C=C(C=CC3=N1)Cl","CQHXUEIARMMZLA-UHFFFAOYSA-N",379744,NA,"PDBC29734","664716","Present",NA,NA
+"29735","8-Chloro-4-methyl-5-(3-methyl-2-butenyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-4-methyl-5-(3-methyl-2-butenyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,"CC1CC(=O)NC2=C(N1CC=C(C)C)C=CC(=C2)Cl","IOCUYXCEXAOKSZ-UHFFFAOYSA-N",377485,NA,"PDBC29735","658953","Present",NA,NA
+"29736","8-Chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloroimidazo[1,2-b][1,4,2]benzodithiazine-7-carbonitrile 5,5-dioxide",NA,"C1=CN2C(=N1)SC3=C(S2(=O)=O)C=C(C(=C3)Cl)C#N","YLSUVYSBUWYBGM-UHFFFAOYSA-N",387415,NA,"PDBC29736","681163","Present",NA,NA
+"29737","8-Chloro-5-(cyclopropylcarbonyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-5-(cyclopropylcarbonyl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",NA,"CC1CC(=O)NC2=C(N1C(=O)C3CC3)C=CC(=C2)Cl","SUGROISCIHVAMI-UHFFFAOYSA-N",377488,NA,"PDBC29737","658956","Present",NA,NA
+"29738","8-Chloro-5-ethyl-6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-5-ethyl-6-oxo-5,6-dihydro[1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid",NA,"CCN1C2=CC3=C(C=C2C(=C(C1=O)C(=O)O)Cl)OCO3","PPUCXEZSKLEHIL-UHFFFAOYSA-N",362132,NA,"PDBC29738","625707","Present",NA,NA
+"29739","8-Chloro-5-methyl-2-phenyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-5-methyl-2-phenylquinolin-4(1H)-one",NA,"CC1=C2C(=O)C=C(NC2=C(C=C1)Cl)C3=CC=CC=C3","LCZVTJHZBPWWFD-UHFFFAOYSA-N",380408,NA,"PDBC29739","665930","Present",NA,NA
+"29740","8-Chloro-5-oxido-pyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazolo[5,1-c][1,2,4]benzotriazine-3-carbonitrile, 8-ch...",NA,"C1=CC2=C(C=C1Cl)N3C(=C(C=N3)C#N)N=[N+]2[O-]","AQUXOTGLIDBSPY-UHFFFAOYSA-N",388426,NA,"PDBC29740","683334","Present",NA,NA
+"29741","8-Chloro-6-nitro-[1,2,4]triazolo[4,3-a]pyrazin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,4-Triazolo[4,3-a]pyrazin-5-amine, 8-chloro-6-nitro-",NA,"C1=NN=C2N1C(=C(N=C2Cl)[N+](=O)[O-])N","ZFLXGYCPGIXCRA-UHFFFAOYSA-N",371811,NA,"PDBC29741","646277","Present",NA,NA
+"29742","8-Chloro-7-methyl-5,5-dioxo-2H-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-7-methyl[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3(2h)-one 5,5-dioxide",NA,"CC1=CC2=C(C=C1Cl)SC3=NNC(=O)N3S2(=O)=O","GMTZQHYVARYBMC-UHFFFAOYSA-N",384339,NA,"PDBC29742","674024","Present",NA,NA
+"29743","8-Chloro-7-methyl-5,5-dioxo-N-phenyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-7-methyl-5,5-dioxo-N-phenyl-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine",NA,"CC1=CC2=C(C=C1Cl)SC3=NN=C(N3S2(=O)=O)NC4=CC=CC=C4","PILQBHPXSSBFKZ-UHFFFAOYSA-N",400657,NA,"PDBC29743","713019","Present",NA,NA
+"29744","8-Chloro-7-methyl-N-(4-methylphenyl)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-7-methyl-N-(4-methylphenyl)-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine",NA,"CC1=CC=C(C=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C)Cl","VOHDHBRXNPVXBN-UHFFFAOYSA-N",400656,NA,"PDBC29744","713018","Present",NA,NA
+"29745","8-Chloro-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-9-nitro-2,3,4,5-tetrahydro-1,6-benzodioxocin-7-amine",NA,"C1CCOC2=C(C=C(C(=C2N)Cl)[N+](=O)[O-])OC1","WBPLSTPWPZTSRV-UHFFFAOYSA-N",379726,NA,"PDBC29745","664700","Present",NA,NA
+"29746","8-Chloro-N,N,6,11-tetramethyl-5,6-dihydropyrimido[4,5-b][1]benzazepin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-chloro-N,N,6,11-tetramethyl-6,11-dihydro-5H-benzo[b]py...",NA,"CC1CC2=C(N=CN=C2N(C)C)N(C3=C1C=C(C=C3)Cl)C","DCWKPCFYNQTOPQ-UHFFFAOYSA-N",155811656,NA,"PDBC29746","786138","Present",NA,NA
+"29747","8-Chloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-N-(2,5-dichlorophenyl)-2-oxochromene-3-carboxamide",NA,"C1=CC2=C(C(=C1)Cl)OC(=O)C(=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl","OGMVVDUUSOJPEV-UHFFFAOYSA-N",359685,NA,"PDBC29747","621100","Present",NA,NA
+"29748","8-Chloro-N-(3,5-dimethylphenyl)-7-methyl-5,5-dioxo-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-chloro-3-(3,5-dimethylphenylamino)-7-methyl-1,2,4-tria...",NA,"CC1=CC(=CC(=C1)NC2=NN=C3N2S(=O)(=O)C4=C(S3)C=C(C(=C4)C)Cl)C","VDPQLKVMUYRYRK-UHFFFAOYSA-N",405677,NA,"PDBC29748","723134","Present",NA,NA
+"29749","8-Chloro-N-(4-chlorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-N-(4-chlorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,"C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2Cl)SC4=NC=CN4S3(=O)=O)Cl","CIIDCYJRCLXUIS-UHFFFAOYSA-N",387419,NA,"PDBC29749","681167","Present",NA,NA
+"29750","8-Chloro-N-(4-fluorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-N-(4-fluorophenyl)-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,"C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2Cl)SC4=NC=CN4S3(=O)=O)F","ILCWJYAIRMWYBD-UHFFFAOYSA-N",387420,NA,"PDBC29750","681168","Present",NA,NA
+"29751","8-Chloro-N-[2-(dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-N-[2-(dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide",NA,"CN(C)CCNC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=C(N3)C=CC(=C4)Cl","AUDVSBATFORCND-UHFFFAOYSA-N",44139299,NA,"PDBC29751","741237","Present",NA,NA
+"29752","8-Chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC=C3Cl)N=C21.Cl","OGKUVFKOLGVINY-UHFFFAOYSA-N",358136,NA,"PDBC29752","617968","Present",NA,NA
+"29753","8-Chloro-N-phenylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-N-phenylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide 5,5-dioxide",NA,"C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2Cl)SC4=NC=CN4S3(=O)=O","VYWCMLMXSIBPEU-UHFFFAOYSA-N",387417,NA,"PDBC29753","681165","Present",NA,NA
+"29754","8-Chloro-cyclicamp",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-CHLORO-CYCLICAMP",NA,"C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O.[Na+]","NAYRKCVLBMVLNQ-UHFFFAOYSA-N",17856967,NA,"PDBC29754","614491","Present",NA,NA
+"29755","8-Chloroadenosine 3',5'-cyclic monophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adenosine, 8-chloro-, cyclic 3',5'-(hydrogen phosphate)",NA,"C1C2C(C(C(O2)N3C4=NC=NC(=C4N=C3Cl)N)O)OP(=O)(O1)O","CLLFEJLEDNXZNR-UHFFFAOYSA-N",323587,NA,"PDBC29755","284751","Present",NA,NA
+"29756","8-Cyano-5-methyl-3-oxo-7-(4-pyridyl)-7H-thiazolo[3,2-a]pyridine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Carbamoyl-8-cyano-5-methyl-3-oxo-7-(4-pyridyl)-2,3,4,7...",NA,"CC1=C(C(C(=C2N1C(=O)CS2)C#N)C3=CC=NC=C3)C(=O)N","ICIBIWCDHWQFBW-UHFFFAOYSA-N",393572,NA,"PDBC29756","695641","Present",NA,NA
+"29757","8-Dimethylamino-2, hemizinc chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Meldola's Blue",NA,"CN(C)C1=CC2=CC3=C(C=C2C=C1)NC4=CC=CC=C4O3.Cl[Zn]Cl","VXXQQPYDQNDUDT-UHFFFAOYSA-L",357925,NA,"PDBC29757","617591","Present",NA,NA
+"29758","8-Ethoxy-2,3,9-trimethoxybenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Ethoxy-2,3,9-trimethoxybenzo[c]phenanthridine",NA,"CCOC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)N=CC2=C1)OC","WUZPDVYKQBJBLE-UHFFFAOYSA-N",371252,NA,"PDBC29758","645310","Present",NA,NA
+"29759","8-Ethoxy-4-hydroxy-1-oxo-6-phenyl-1,7]naphthyridine-3-carboxylic acid (2,4-dihydroxy-benzylidene)-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Ethoxy-4-hydroxy-1-oxo-6-phenyl-1,2-dihydro-[2,7]napht...",NA,"CCOC1=C2C(=CC(=N1)C3=CC=CC=C3)C(=C(NC2=O)C(=O)NN=CC4=C(C=C(C=C4)O)O)O","ZHRXTCAIJBZJSK-BRJLIKDPSA-N",135968282,NA,"PDBC29759","747284","Present",NA,NA
+"29760","8-Ethoxyquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCRIS 7822",NA,"CCOC1=CC=CC2=C1N=CC=C2","UGRGZOJMYMJWLZ-UHFFFAOYSA-N",73781,NA,"PDBC29760","646914","Present",NA,NA
+"29761","8-Ethyl-2-pent-4-enyl-6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyridin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Ethyl-2-pent-4-enyl-6,7-dihydro-5h-thiazolo[3,2-a]pyridin-3-one",NA,"CCC1=C2N(CCC1)C(=O)C(S2)CCCC=C","BZFHOHLKZCGDSY-UHFFFAOYSA-N",397455,NA,"PDBC29761","705313","Present",NA,NA
+"29762","8-Ethyl-4,12-dimethoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Ethyl-4,12-dimethoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one",NA,"CCC1CCC2=C(C1)C(=O)OC3=C4C(=C(C=C23)OC)C=CC=C4OC","JMHCSLMTGSUWIO-UHFFFAOYSA-N",376096,NA,"PDBC29762","656579","Present",NA,NA
+"29763","8-Ethyl-5-oxo-2,3,5,8-tetrahydrothieno[3,2-g]quinoline-6-carboxylic acid 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Ethyl-5-oxo-2,3,5,8-tetrahydrothieno[3,2-g]quinoline-6-carboxylic acid 1,1-dioxide",NA,"CCN1C=C(C(=O)C2=C1C=C3C(=C2)CCS3(=O)=O)C(=O)O","FZYNCQAIRAUVKB-UHFFFAOYSA-N",376959,NA,"PDBC29763","658159","Present",NA,NA
+"29764","8-Ethylnaphtho[2',1':4,5]furo[2,3-c]pyridin-10-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Ethylnaphtho[2',1':4,5]furo[2,3-c]pyridin-10-ol",NA,"CCC1=CC2=C(C(=O)N1)OC3=C2C=CC4=CC=CC=C43","JQJGIQWPBDYABK-UHFFFAOYSA-N",378992,NA,"PDBC29764","662584","Present",NA,NA
+"29765","8-Ethylnorcoralyne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CORALYNE, NOR, 8-ETHYL",NA,"CCC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.CC(C(=O)[O-])S(=O)(=O)O","AOMPOHIYVPAGAD-UHFFFAOYSA-M",5458339,NA,"PDBC29765","156625","Present",NA,NA
+"29766","8-Fluoro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Fluoro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CN1C2=C(C=C(C=C2)F)C3=C1C4=C(C=C3)C(=O)C=CC4=O","WZEIPRXRCWJHHE-UHFFFAOYSA-N",381772,NA,"PDBC29766","668844","Present",NA,NA
+"29767","8-Fluoro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Fluoro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxamide",NA,"CC1=CC2=C(C3=C(C2=O)C(=CC=C3)F)C(=C1C)C(=O)N","FTTBRPHYHQYKHT-UHFFFAOYSA-N",364125,NA,"PDBC29767","629794","Present",NA,NA
+"29768","8-Fluoro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Fluoro-2,3-dimethyl-9-oxo-9H-fluorene-4-carboxylic acid",NA,"CC1=CC2=C(C3=C(C2=O)C(=CC=C3)F)C(=C1C)C(=O)O","LQHJFUMIVUGJGE-UHFFFAOYSA-N",362325,NA,"PDBC29768","625961","Present",NA,NA
+"29769","8-Fluoro-2-methyl-6,11-dihydro-[1]benzoxepino[4,3-b]indol-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Fluoro-2-methyl-6,11-dihydro-[1]benzoxepino[4,3-b]indol-12-one",NA,"CC1=CC2=C(C=C1)OCC3=C(C2=O)NC4=C3C=C(C=C4)F","BAYSZDQDPOLPTP-UHFFFAOYSA-N",384673,NA,"PDBC29769","674717","Present",NA,NA
+"29770","8-Fluoro-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Fluoro-4-(4-fluorophenyl)-2,3-dihydro-1,5-benzothiazepine-2-carboxylic acid",NA,"C1C(SC2=C(C=CC(=C2)F)N=C1C3=CC=C(C=C3)F)C(=O)O","JCIBLYGLPXNFQP-UHFFFAOYSA-N",393916,NA,"PDBC29770","696889","Present",NA,NA
+"29771","8-Fluoro-4-methyl-2,3-dihydrothieno[3,2-c]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/43380503",NA,"CC1=C2CCSC2=C3C=C(C=CC3=N1)F","DZCPESXHDMQXDJ-UHFFFAOYSA-N",387222,NA,"PDBC29771","680784","Present",NA,NA
+"29772","8-Fluoro-5-methyl-2-phenyl-1H-quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Fluoro-5-methyl-2-phenylquinolin-4(1H)-one",NA,"CC1=C2C(=O)C=C(NC2=C(C=C1)F)C3=CC=CC=C3","LIHGUAYEIXREGY-UHFFFAOYSA-N",380402,NA,"PDBC29772","665924","Present",NA,NA
+"29773","8-Fluorobenzo[a]pyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-40021",NA,"C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5)F)C=C2","NGTRARPAYZCLIC-UHFFFAOYSA-N",51254,NA,"PDBC29773","623137","Present",NA,NA
+"29774","8-Hydroxy-1,2,3,5-tetramethoxy-6-methyl-9,10-anthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-1,2,3,5-tetramethoxy-6-methylanthracene-9,10-dione",NA,"CC1=CC(=C2C(=C1OC)C(=O)C3=CC(=C(C(=C3C2=O)OC)OC)OC)O","ZEHCTIWURTZYHV-UHFFFAOYSA-N",385561,NA,"PDBC29774","676833","Present",NA,NA
+"29775","8-Hydroxy-10-methyldipyrido[1,2-a:2',3'-d]imidazole-6(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Hydroxy-8-methyl-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one",NA,"CN1C2=CC(=CC(=O)N2C3=C1N=CC=C3)O","BDQBPXMWPHGVGH-UHFFFAOYSA-N",54688719,NA,"PDBC29775","701588","Present",NA,NA
+"29776","8-Hydroxy-11h-isoindolo[2,1-a]benzimidazol-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-11h-isoindolo[2,1-a]benzimidazol-11-one",NA,"C1=CC=C2C(=C1)C3=NC4=C(N3C2=O)C=C(C=C4)O","KSSMLDDXENLQON-UHFFFAOYSA-N",377704,NA,"PDBC29776","659295","Present",NA,NA
+"29777","8-Hydroxy-15-methyl-3-[[(2R)-4-methyl-2-phenyl-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]oxy]-11,18-dioxapentacyclo[10.6.2.02,7.09,19.016,20]icosa-1(19),2(7),3,5,8,12(20),13,15-octaene-10,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[h][1]benzopyrano[5,4,3-cde][1] benzopyran-5,12-dio...",NA,"CC1C(C(C(C(O1)OC2C3C(C(OC2OC4=CC=CC5=C4C6=C7C8=C(C=CC(=C8C(=O)O6)C)OC(=O)C7=C5O)C)OC(O3)C9=CC=CC=C9)O)O)O","XFXSVFLGSJQVAJ-RTGPMSLNSA-N",5388862,NA,"PDBC29777","639832","Present",NA,NA
+"29778","8-Hydroxy-2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-13-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-2,3,9,10-tetramethoxy-6,8-dihydro-5H-isoquinolino[2,1-b]isoquinoline-13-carbaldehyde",NA,"COC1=C(C2=C(C=C1)C(=C3C4=CC(=C(C=C4CCN3C2O)OC)OC)C=O)OC","SFSWKAZCUINXLS-UHFFFAOYSA-N",397864,NA,"PDBC29778","706487","Present",NA,NA
+"29779","8-Hydroxy-2-methylquinazolin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-2-methylquinazolin-4-[3H]-one",NA,"CC1=NC2=C(C=CC=C2O)C(=O)N1","YJDAOHJWLUNFLX-UHFFFAOYSA-N",135398517,NA,"PDBC29779","696807","Present",NA,NA
+"29780","8-Hydroxy-3,3a,3b,8,12b,12c-hexahydro-1H-dibenzo[3',4':6',7']cyclohepta[1',2':3,4]cyclobuta[1,2-c]furan-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-18-oxapentacyclo[13.5.0.02,7.09,14.016,20]icosa-2,4,6,9,11,13-hexaen-17-one",NA,"C1C2C3C(C2C(=O)O1)C4=CC=CC=C4C(C5=CC=CC=C35)O","KAFDISJYHBMFEQ-UHFFFAOYSA-N",361869,NA,"PDBC29780","625190","Present",NA,NA
+"29781","8-Hydroxy-3-phenylisocoumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-hydroxy-3-phenylisocoumarin",NA,"C1=CC=C(C=C1)C2=CC3=C(C(=CC=C3)O)C(=O)O2","WDSXRDGRRIEXIA-UHFFFAOYSA-N",5473194,NA,"PDBC29781","724384","Present",NA,NA
+"29782","8-Hydroxy-4-methylbicyclo[3.2.1]oct-3-ene-1-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-4-methylbicyclo[3.2.1]oct-3-ene-1-carbonitrile",NA,"CC1=CCC2(CCC1C2O)C#N","CHNUITIQPYYPJL-UHFFFAOYSA-N",371760,NA,"PDBC29782","646203","Present",NA,NA
+"29783","8-Hydroxy-5,7-dimethoxy-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-5,7-dimethoxy-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one",NA,"COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=CO5)C=CC=C4O)OC","GZMUMQPGRQFPMK-UHFFFAOYSA-N",374697,NA,"PDBC29783","652864","Present",NA,NA
+"29784","8-Hydroxy-5,7-dimethoxy-2-(trimethylsilyl)-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-5,7-dimethoxy-2-(trimethylsilyl)-13H-[1]benzofuro[7,6-c]benzo[h]chromen-13-one",NA,"COC1=C2C3=CC(=C4C(=C3OC(=O)C2=C5C(=C1)C=C(O5)[Si](C)(C)C)C=CC=C4O)OC","HOKXZLCKQQDJSW-UHFFFAOYSA-N",374693,NA,"PDBC29784","652860","Present",NA,NA
+"29785","8-Hydroxy-5-quinolyl phenyl ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-BENZOYLQUINOLIN-8-OL",NA,"C1=CC=C(C=C1)C(=O)C2=C3C=CC=NC3=C(C=C2)O","JVHWRVMKLLDQHF-UHFFFAOYSA-N",241492,NA,"PDBC29785","48892","Present",NA,NA
+"29786","8-Hydroxy-7,7,9,9-tetramethyl-3-oxa-1,8-diazaspiro[4.5]decane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxy-7,7,9,9-tetramethyl-3-oxa-1,8-diazaspiro[4.5]decane-2,4-dione",NA,"CC1(CC2(CC(N1O)(C)C)C(=O)OC(=O)N2)C","YZRJCFCIQDKURD-UHFFFAOYSA-N",357338,NA,"PDBC29786","615605","Present",NA,NA
+"29787","8-Hydroxy-7-(6-sulfo-naphthalen-2-ylazo)-quinoline-5-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-hydroxy-7-((6-sulfonaphthalen-2-yl) diazenyl)quinoline...",NA,"C1=CC2=C(C=C(C(=C2N=C1)O)N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)S(=O)(=O)O","XGMFVZOKHBRUTL-UHFFFAOYSA-N",92577,NA,"PDBC29787","87877","Present",NA,NA
+"29788","8-Hydroxy-7-[a-(4-nitroanilino)benzyl]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-[.ALPHA.-(P-NITROANILINO)BENZYL]-8-QUINOLINOL",NA,"C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=C(C=C4)[N+](=O)[O-]","NIPBFFNWSFCRBD-UHFFFAOYSA-N",219563,NA,"PDBC29788","1010","Present",NA,NA
+"29789","8-Hydroxy-7-nitro-tetralin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-hydroxy-7-nitro-tetralin-1-one",NA,"C1CC2=C(C(=O)C1)C(=C(C=C2)[N+](=O)[O-])O","AYORUTMZIUZUQO-UHFFFAOYSA-N",361683,NA,"PDBC29789","624901","Present",NA,NA
+"29790","8-Hydroxy-7-phenyl-2,3-dihydropyrido[3,4-d]pyridazine-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-hydroxy-7-phenyl-2,3-dihydropyrido[3,4-d]pyridazine-1,...",NA,"C1=CC=C(C=C1)C2=NC=C3C(=C2O)C(=O)NNC3=O","CFOHIHSCIGCUAR-UHFFFAOYSA-N",12324632,NA,"PDBC29790","782303","Present",NA,NA
+"29791","8-Hydroxybicyclo[3.3.1]non-6-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[3.3.1]non-3-en-2-ol-7-one",NA,"C1C2CC(=O)CC1C(C=C2)O","PEVQSKXVVDPQIT-UHFFFAOYSA-N",376749,NA,"PDBC29791","657803","Present",NA,NA
+"29792","8-Hydroxymanzamine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Hydroxymanzamine A",NA,"C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C6=NC=CC7=C6NC8=C7C=CC=C8O","AMSNINGPDSUBHZ-FEPATLFLSA-N",5468481,NA,"PDBC29792","670852","Present",NA,NA
+"29793","8-Hydroxyoctadecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMFA02000126",NA,"CCCCCCCCCCC(CCCCCCC(=O)O)O","YYWHSFVJGXJTKD-UHFFFAOYSA-N",361944,NA,"PDBC29793","625429","Present",NA,NA
+"29794","8-Hydroxyquinoline salicylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-hydroxy-, compd. with 8-quinolinol (1:1)...",NA,"C1=CC=C(C(=C1)C(=O)O)O.C1=CC2=C(C(=C1)O)N=CC=C2","GOEKBPHGLUYFOX-UHFFFAOYSA-N",142766,NA,"PDBC29794","3907","Present",NA,NA
+"29795","8-Hydroxyquinoline-2,5,6(1h)-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5,8(1H)-Quinolinetrione, 6-hydroxy- (8CI)",NA,"C1=CC(=O)NC2=C1C(=O)C(=O)C=C2O","ZWAPXFSJEWYYJE-UHFFFAOYSA-N",268237,NA,"PDBC29795","108379","Present",NA,NA
+"29796","8-Hydroxyquinoline-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2196AB",NA,"C1=CC2=C(C=CC(=C2N=C1)O)C=O","LIADJWREMDHKHQ-UHFFFAOYSA-N",275363,NA,"PDBC29796","122131","Present",NA,NA
+"29797","8-Hydroxyquinoline-7-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC27445",NA,"C1=CC2=C(C(=C(C=C2)C(=O)O)O)N=C1","JYIAZVFJRYLCBH-UHFFFAOYSA-N",231363,NA,"PDBC29797","27445","Present",NA,NA
+"29798","8-Imidazol-1-ylsulfonyl-2,3,4,11-tetrahydropyrimido[1,2-b][1,2,4]benzothiadiazine 6,6-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(1H-Imidazol-1-ylsulfonyl)-2,3,4,11-tetrahydropyrimido[1,2-b][1,2,4]benzothiadiazine 6,6-dioxide",NA,"C1CN=C2NC3=C(C=C(C=C3)S(=O)(=O)N4C=CN=C4)S(=O)(=O)N2C1","AAHQPNUNMIWCTJ-UHFFFAOYSA-N",364399,NA,"PDBC29798","630547","Present",NA,NA
+"29799","8-Imino-1-methyl-2-methylsulfanyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-7H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Imino-1-methyl-2-methylsulfanyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-7H-purin-6-one",NA,"CN1C(=O)C2=C(N=C1SC)N(C(=N2)N)C3C(C(C(CO3)O)O)O","HCNZUFTYFCPWCS-UHFFFAOYSA-N",363663,NA,"PDBC29799","628729","Present",NA,NA
+"29800","8-Imino-2-methoxy-1-methyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-7H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Imino-2-methoxy-1-methyl-9-(3,4,5-trihydroxytetrahydropyran-2-yl)-7H-purin-6-one",NA,"CN1C(=O)C2=C(N=C1OC)N(C(=N2)N)C3C(C(C(CO3)O)O)O","RFZBOQBHSLUDOM-UHFFFAOYSA-N",363659,NA,"PDBC29800","628725","Present",NA,NA
+"29801","8-Isopropoxy-2,3,9-trimethoxybenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Isopropoxy-2,3,9-trimethoxybenzo[c]phenanthridine",NA,"CC(C)OC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)N=CC2=C1)OC","QRVXBBVLFBVRQB-UHFFFAOYSA-N",371234,NA,"PDBC29801","645293","Present",NA,NA
+"29802","8-Isopropyl-4,4,11a-trimethyl-2,9-dioxo-2,3,4,9,11,11a-hexahydrobenzo[5,6]cyclohepta[1,2-b]pyran-10-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,7,7-Trimethyl-5,14-dioxo-13-propan-2-yl-4-oxatricyclo[9.4.0.03,8]pentadeca-1(15),8,10,12-tetraen-15-yl) acetate",NA,"CC(C)C1=CC2=CC=C3C(CC(=O)OC3(CC2=C(C1=O)OC(=O)C)C)(C)C","OHOPGMMXXXLGDP-UHFFFAOYSA-N",363975,NA,"PDBC29802","629595","Present",NA,NA
+"29803","8-Me-XAA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Me-XAA",NA,"CC1=C2C(=CC=C1)OC3=C(C=CC=C3C2=O)CC(=O)O.[Na+]","MZWAMHSZZMHQKW-UHFFFAOYSA-N",54600888,NA,"PDBC29803","677592","Present",NA,NA
+"29804","8-Mercaptoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48888",NA,"C1=CC2=C(C(=C1)S)N=CC=C2","MHTSJSRDFXZFHQ-UHFFFAOYSA-N",96028,NA,"PDBC29804","48888","Present",NA,NA
+"29805","8-Methoxy-1,2,3,4-tetrahydrobenzo[f]quinoline-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-1,2,3,4-tetrahydrobenzo[f]quinoline-3-carboxylic acid",NA,"COC1=CC2=C(C=C1)C3=C(C=C2)NC(CC3)C(=O)O","MSYFPUURZFGJFZ-UHFFFAOYSA-N",307151,NA,"PDBC29805","204936","Present",NA,NA
+"29806","8-Methoxy-1,3-diphenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-1,3-diphenyl-4,9b-dihydro-3aH-chromeno[4,3-c]pyrazole",NA,"COC1=CC2=C(C=C1)OCC3C2N(N=C3C4=CC=CC=C4)C5=CC=CC=C5","GEVHBTFEMMAPPF-UHFFFAOYSA-N",371908,NA,"PDBC29806","646492","Present",NA,NA
+"29807","8-Methoxy-10-oxido-5-oxophenazin-5-ium-2-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-10-oxido-5-oxophenazin-5-ium-2-carbonitrile",NA,"COC1=CC2=C(C=C1)[N+](=O)C3=C(N2[O-])C=C(C=C3)C#N","LSKCHGRSCQXJHA-UHFFFAOYSA-N",349513,NA,"PDBC29807","409304","Present",NA,NA
+"29808","8-Methoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-11-[2-(1-piperidyl)ethyl]-5,6-dihydrobenzo[a]carbazole",NA,"COC1=CC2=C(C=C1)N(C3=C2CCC4=CC=CC=C43)CCN5CCCCC5","GNAFEAWQHIWSDB-UHFFFAOYSA-N",390900,NA,"PDBC29808","689075","Present",NA,NA
+"29809","8-Methoxy-11h-isoindolo[2,1-a]benzimidazol-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-11h-isoindolo[2,1-a]benzimidazol-11-one",NA,"COC1=CC2=C(C=C1)N=C3N2C(=O)C4=CC=CC=C43","WJYXAQMJQGIYOV-UHFFFAOYSA-N",377703,NA,"PDBC29809","659294","Present",NA,NA
+"29810","8-Methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11-tetraen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-16-methyl-6-oxa-16-azapentacyclo[9.5.2.01,13.05,13.07,12]octadeca-2,7,9,11-tetraen-4-one",NA,"CN1CCC23C14CCC5=C2C(=C(C=C5)OC)OC3C(=O)C=C4","WUEBBEBFAHKHAP-UHFFFAOYSA-N",398246,NA,"PDBC29810","707845","Present",NA,NA
+"29811","8-Methoxy-2-(1-naphthyl)-3-nitro-2H-chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-2-(naphthalen-1-yl)-3-nitro-2H-chromene",NA,"COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=CC4=CC=CC=C43","PRGUAJTYXMEDET-UHFFFAOYSA-N",381155,NA,"PDBC29811","667473","Present",NA,NA
+"29812","8-Methoxy-2-(2-methylphenyl)-4H-3,1-benzoxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-2-(2-methylphenyl)-4H-3,1-benzoxazin-4-one",NA,"CC1=CC=CC=C1C2=NC3=C(C=CC=C3OC)C(=O)O2","CKUBEXWXPHBBOM-UHFFFAOYSA-N",385047,NA,"PDBC29812","675968","Present",NA,NA
+"29813","8-Methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-2-(4-methoxyphenyl)-3-nitro-2H-chromene",NA,"COC1=CC=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-]","JRKDJDBATCWDAD-UHFFFAOYSA-N",381073,NA,"PDBC29813","667223","Present",NA,NA
+"29814","8-Methoxy-2-oxo-2H-chromene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-000306",NA,"COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)O","SFAPWVZFUHJZIC-UHFFFAOYSA-N",234562,NA,"PDBC29814","34647","Present",NA,NA
+"29815","8-Methoxy-3,9-dinitro-5H-phenanthridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-3,9-dinitrophenanthridin-6(5h)-one",NA,"COC1=C(C=C2C3=C(C=C(C=C3)[N+](=O)[O-])NC(=O)C2=C1)[N+](=O)[O-]","BQSWRNVGLGMTFD-UHFFFAOYSA-N",277067,NA,"PDBC29815","125552","Present",NA,NA
+"29816","8-Methoxy-3-[(2Z)-2-methoxyimino-2-(3-methoxyphenyl)ethoxy]benzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-3-[(2Z)-2-methoxyimino-2-(3-methoxyphenyl)ethoxy]benzo[c]chromen-6-one",NA,"COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OCC(=NOC)C4=CC(=CC=C4)OC)OC2=O","MZUKRRBUTRYOQA-YYDJUVGSSA-N",24205386,NA,"PDBC29816","735338","Present",NA,NA
+"29817","8-Methoxy-3-[(2Z)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]benzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-3-[(2Z)-2-methoxyimino-2-(4-methoxyphenyl)ethoxy]benzo[c]chromen-6-one",NA,"COC1=CC=C(C=C1)C(=NOC)COC2=CC3=C(C=C2)C4=C(C=C(C=C4)OC)C(=O)O3","UZSUEEGRNVFLST-YYDJUVGSSA-N",24205377,NA,"PDBC29817","735329","Present",NA,NA
+"29818","8-Methoxy-3-[(2Z)-2-methoxyiminopropoxy]benzo[c]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-3-[(2Z)-2-methoxyiminopropoxy]benzo[c]chromen-6-one",NA,"CC(=NOC)COC1=CC2=C(C=C1)C3=C(C=C(C=C3)OC)C(=O)O2","ABWARMXCVWVBGA-ODLFYWEKSA-N",24205390,NA,"PDBC29818","735342","Present",NA,NA
+"29819","8-Methoxy-3-prop-2-enylchromen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-3-prop-2-enylchromen-2-one",NA,"COC1=CC=CC2=C1OC(=O)C(=C2)CC=C","ODWJIUIFVONHIB-UHFFFAOYSA-N",359919,NA,"PDBC29819","621631","Present",NA,NA
+"29820","8-Methoxy-4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-4,5-dihydro-1H-[1]benzoxepino[5,4-c]pyrazole",NA,"COC1=CC2=C(C=C1)C3=C(CCO2)C=NN3","WTVOBXVQFNJCFK-UHFFFAOYSA-N",360366,NA,"PDBC29820","622427","Present",NA,NA
+"29821","8-Methoxy-4,5-dihydro-3H-2-benzoxepin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-4,5-dihydro-3H-2-benzoxepin-1-one",NA,"COC1=CC2=C(CCCOC2=O)C=C1","VMGNTZGTBZLDSW-UHFFFAOYSA-N",390026,NA,"PDBC29821","686941","Present",NA,NA
+"29822","8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,"COC1=C2C3=C(CCCC3=C(O2)C(=O)O)C=C1","AZAWXPBQFQOALS-UHFFFAOYSA-N",361659,NA,"PDBC29822","624877","Present",NA,NA
+"29823","8-Methoxy-5,7-bis(phenylthio)quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-5,7-bis(phenylthio)quinoline",NA,"COC1=C(C=C(C2=C1N=CC=C2)SC3=CC=CC=C3)SC4=CC=CC=C4","QTLULWJUPJCQIM-UHFFFAOYSA-N",363947,NA,"PDBC29823","629481","Present",NA,NA
+"29824","8-Methoxy-5-(4-methoxyphenyl)naphtho[1,2-c]furan-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-5-(4-methoxyphenyl)naphtho[1,2-c]furan-1,3-dione",NA,"COC1=CC=C(C=C1)C2=CC3=C(C4=C2C=CC(=C4)OC)C(=O)OC3=O","JIMFAGSCHPUYMP-UHFFFAOYSA-N",356123,NA,"PDBC29824","611215","Present",NA,NA
+"29825","8-Methoxy-6,11-dihydro-5H-benzo[a]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YMVQDBCEOLIEPZ-UHFFFAOYSA-N",NA,"COC1=CC2=C(C=C1)NC3=C2CCC4=CC=CC=C43","YMVQDBCEOLIEPZ-UHFFFAOYSA-N",390899,NA,"PDBC29825","689074","Present",NA,NA
+"29826","8-Methoxy-6,11-dihydro-[1]benzoxepino[4,3-b]indol-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-6,11-dihydro-[1]benzoxepino[4,3-b]indol-12-one",NA,"COC1=CC2=C(C=C1)NC3=C2COC4=CC=CC=C4C3=O","ZJORBEGTOFRJEN-UHFFFAOYSA-N",384672,NA,"PDBC29826","674716","Present",NA,NA
+"29827","8-Methoxy-6,11-dimethyl-4-(2-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-methoxy-6,11-dimethyl-4-(2-methyl-1H-benzo[d]imidazol-...",NA,"CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)OC)C)N4C(=NC5=CC=CC=C54)C","JUTFHVMMSOMCKE-UHFFFAOYSA-N",155815228,NA,"PDBC29827","783651","Present",NA,NA
+"29828","8-Methoxy-6,11-dimethyl-4-(5-methylbenzimidazol-1-yl)-5,6-dihydropyrimido[4,5-b][1]benzazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-methoxy-6,11-dimethyl-4-(5-methyl-1H-benzo[d]imidazol-...",NA,"CC1CC2=C(N=CN=C2N(C3=C1C=C(C=C3)OC)C)N4C=NC5=C4C=CC(=C5)C","IKISRXNVZCUHAM-UHFFFAOYSA-N",155805528,NA,"PDBC29828","788712","Present",NA,NA
+"29829","8-Methoxy-6-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxy-6-methyl-2-phenyl-2,3-dihydro-4H-chromen-4-one",NA,"CC1=CC2=C(C(=C1)OC)OC(CC2=O)C3=CC=CC=C3","DVKYEWQUGKCKRF-UHFFFAOYSA-N",221370,NA,"PDBC29829","5884","Present",NA,NA
+"29830","8-Methoxybenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxybenzimidazo[2,1-b][1,3,5]benzothiadiazepin-12(13H)-imine",NA,"COC1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4SC3=N2)N","VTDSJRVANHDMFK-UHFFFAOYSA-N",383196,NA,"PDBC29830","671315","Present",NA,NA
+"29831","8-Methoxycirsilineol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methoxycirsilineol",NA,"COC1=C(C=CC(=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O","UBZBPKARIHPOEC-UHFFFAOYSA-N",181092,NA,"PDBC29831","654971","Present",NA,NA
+"29832","8-Methyl-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-1,3-diphenyl-1,3a,4,9b-tetrahydrochromeno[4,3-c]pyrazole",NA,"CC1=CC2=C(C=C1)OCC3C2N(N=C3C4=CC=CC=C4)C5=CC=CC=C5","ZQOUCZOCNWBKAT-UHFFFAOYSA-N",371906,NA,"PDBC29832","646490","Present",NA,NA
+"29833","8-Methyl-1,6,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-9,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-1,6,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene-9,14-dione",NA,"CN1C(=O)C2CCCC(=O)N2C3=C1N=CC=C3","BNONFRNSFDUJHB-UHFFFAOYSA-N",386268,NA,"PDBC29833","678010","Present",NA,NA
+"29834","8-Methyl-10-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-10-propan-2-yl-4-oxatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione",NA,"CC1=CC2C(CC1C3C2C(=O)OC3=O)C(C)C","IHLZMAMVGXEIGC-UHFFFAOYSA-N",305563,NA,"PDBC29834","202580","Present",NA,NA
+"29835","8-Methyl-11,13-dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,6,9(16),10(14)-hexaene;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-11,13-dioxa-4,8-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-1(15),2,4,6,9(16),10(14)-hexaene;hydrochloride",NA,"CN1C=CC2=NC=CC3=CC4=C(C1=C32)OCO4.Cl","VRXQGULZSHUCNT-UHFFFAOYSA-N",395380,NA,"PDBC29835","699881","Present",NA,NA
+"29836","8-Methyl-14-phenyl-3-phenylsulfanyl-14-thioniatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaene;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Anthra[1,9-bc]thiophenium, 6-methyl-2-phenyl-10-(phen...",NA,"CC1=C2C=CC=C(C2=C3C[S+](C4=CC=CC1=C34)C5=CC=CC=C5)SC6=CC=CC=C6.[Cl-]","KLQVNXJBZZWIIV-UHFFFAOYSA-M",5458338,NA,"PDBC29836","156529","Present",NA,NA
+"29837","8-Methyl-18-methylsulfonyl-6,20-dioxa-2,8,18-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),10,12,15,17(22)-heptaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-18-methylsulfonyl-6,20-dioxa-2,8,18-triazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),2,4(9),10,12,15,17(22)-heptaene",NA,"CN1COCC2=C1C=CC3=CC4=C(C5=C(C=C4)N(COC5)S(=O)(=O)C)N=C23","QUBYUZBTDMCJNT-UHFFFAOYSA-N",399573,NA,"PDBC29837","710447","Present",NA,NA
+"29838","8-Methyl-2,3,3a,4,6,7-hexahydro-5(1H)-azulenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-2,3,3a,4,6,7-hexahydro-5(1H)-azulenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,"CC1=C2CCCC2CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CC1","QVWPXKRLJDQADF-QGOAFFKASA-N",5930454,NA,"PDBC29838","624356","Present",NA,NA
+"29839","8-Methyl-2-((2-(4-morpholinyl)ethyl)thio)-7-(1-naphthylmethoxy)-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-2-((2-(4-morpholinyl)ethyl)thio)-7-(1-naphthylmethoxy)-4H-chromen-4-one",NA,"CC1=C(C=CC2=C1OC(=CC2=O)SCCN3CCOCC3)OCC4=CC=CC5=CC=CC=C54","IAKGYXVAJPFPQS-UHFFFAOYSA-N",387310,NA,"PDBC29839","681023","Present",NA,NA
+"29840","8-Methyl-2-(morpholinomethyl)pyrido[1,2-a]pyrimidin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-2-(morpholinomethyl)pyrido[1,2-a]pyrimidin-4-one",NA,"CC1=CC2=NC(=CC(=O)N2C=C1)CN3CCOCC3","CKHXOAVCIDEDTI-UHFFFAOYSA-N",390353,NA,"PDBC29840","687689","Present",NA,NA
+"29841","8-Methyl-2-oxo-8-azabicyclo[3.2.1]oct-3-ene-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-6-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one///N-Methyl-6-(endo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one",NA,"CN1C2CC(C1C=CC2=O)C#N","QDBIHSMOIHGMLN-UHFFFAOYSA-N",376753,NA,"PDBC29841","657809///657812","Present",NA,NA
+"29842","8-Methyl-2-phenyl-5-(1-trimethylsilyloxyethyl)-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-2-phenyl-8-(1-((trimethylsilyl)oxy)ethyl)-5,8-dihydro-1H-[1,2,4]triazolo[1,2-a]pyridazine-1,3(2H)-dione",NA,"CC1C=CC(N2N1C(=O)N(C2=O)C3=CC=CC=C3)C(C)O[Si](C)(C)C","AJRYFWHAPFUXFO-UHFFFAOYSA-N",362054,NA,"PDBC29842","625566","Present",NA,NA
+"29843","8-Methyl-3,7-diphenylpyrazolo[5,1-c][1,2,4]triazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-3,7-diphenylpyrazolo[5,1-c][1,2,4]triazine",NA,"CC1=C2N=NC(=CN2N=C1C3=CC=CC=C3)C4=CC=CC=C4","ZMBKOKDWGCGKPJ-UHFFFAOYSA-N",394452,NA,"PDBC29843","697926","Present",NA,NA
+"29844","8-Methyl-3-(8-methyl-4-oxo-chromen-3-yl)selanyl-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-3-(8-methyl-4-oxo-chromen-3-yl)selanyl-chromen-4-one",NA,"CC1=C2C(=CC=C1)C(=O)C(=CO2)[Se]C3=COC4=C(C=CC=C4C3=O)C","CLVZZTPNMOXYCF-UHFFFAOYSA-N",374558,NA,"PDBC29844","652533","Present",NA,NA
+"29845","8-Methyl-3-(phenylsulfonyl)-6,2':4,5]thiopyrano[3,2-b]pyridin-2(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-3-(phenylsulfonyl)-6,7-dihydropyrrolo[3',2':4,5...",NA,"CC1=CC2=C(N1)CSC3=C2NC(=O)C(=C3)S(=O)(=O)C4=CC=CC=C4","VGNBTSFJHIYMJS-UHFFFAOYSA-N",54612954,NA,"PDBC29845","749874","Present",NA,NA
+"29846","8-Methyl-3-oxa-2lambda6-thia-6-mercurabicyclo[5.3.1]undeca-1(11),7,9-triene 2,2-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-3-oxa-2lambda6-thia-6-mercurabicyclo[5.3.1]undeca-1(11),7,9-triene 2,2-dioxide",NA,"CC1=C2C=C(C=C1)S(=O)(=O)OCC[Hg]2","CXIZNOYVTMMNMP-UHFFFAOYSA-N",426927,NA,"PDBC29846","203308","Present",NA,NA
+"29847","8-Methyl-4-oxo-8-azabicyclo[3.2.1]oct-2-ene-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-7-(exo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one///N-Methyl-7-(endo)-cyano[3.2.1]-8-azabicyclooct-3-en-2-one",NA,"CN1C2CC(C1C(=O)C=C2)C#N","KBTKKJKGYHXAOU-UHFFFAOYSA-N",376754,NA,"PDBC29847","657810///657811","Present",NA,NA
+"29848","8-Methyl-6-oxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrimidine-9-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-6-oxo-1,3,4,6,7,8-hexahydro-2H-pyrido[1,2-a]pyrimidine-9-carbonitrile",NA,"CC1CC(=O)N2CCCNC2=C1C#N","DUGFFDJDTHORCC-UHFFFAOYSA-N",383016,NA,"PDBC29848","671000","Present",NA,NA
+"29849","8-Methyl-7-(3-((8-methyl-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-7-(3-((8-methyl-4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propoxy)-2-phenyl-4H-chromen-4-one",NA,"CC1=C(C=CC2=C1OC(=CC2=O)C3=CC=CC=C3)OCCCOC4=C(C5=C(C=C4)C(=O)C=C(O5)C6=CC=CC=C6)C","YODUZBHIBYLGCJ-UHFFFAOYSA-N",375235,NA,"PDBC29849","654624","Present",NA,NA
+"29850","8-Methyl-7-oxo-1,2,3,4,5,7,8,9-octahydropyrido[1,2-a][1,3]diazepine-10-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-7-oxo-1,2,3,4,5,7,8,9-octahydropyrido[1,2-a][1,3]diazepine-10-carbonitrile",NA,"CC1CC(=C2NCCCCN2C1=O)C#N","NVPPHPBQHIVXJN-UHFFFAOYSA-N",383017,NA,"PDBC29850","671001","Present",NA,NA
+"29851","8-Methyl-7-phenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-7-phenyl-10-thia-8-azatricyclo[5.2.1.01,5]decan-9-one",NA,"CN1C(=O)C23CCCC2CC1(S3)C4=CC=CC=C4","YTAYZILMDPNPLZ-UHFFFAOYSA-N",397454,NA,"PDBC29851","705312","Present",NA,NA
+"29852","8-Methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4,15-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-8-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,13(17),14-hexaene-3,4,15-triol",NA,"CN1C2CCCC3=C2C(=CC(=C3)O)C4=C1C=CC(=C4O)O","NBJKYQQKAMIUSO-UHFFFAOYSA-N",398346,NA,"PDBC29852","708066","Present",NA,NA
+"29853","8-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol",NA,"CC1=C2C(=CC=C1)C3=C(N2)NC(=O)NC3=O","JZGUHLPUEPKBCQ-UHFFFAOYSA-N",387241,NA,"PDBC29853","680816","Present",NA,NA
+"29854","8-Methyl-octadecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMFA01020218",NA,"CCCCCCCCCCC(C)CCCCCCC(=O)O","DSIUZBLIPJBAMZ-UHFFFAOYSA-N",361945,NA,"PDBC29854","625430","Present",NA,NA
+"29855","8-Nitro-1-phenyl-9H-pyrido[3,4-b]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Nitro-1-phenyl-9H-pyrido[3,4-b]indole",NA,"C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=CC=C4[N+](=O)[O-]","MEILELXKOKOYFZ-UHFFFAOYSA-N",359451,NA,"PDBC29855","620316","Present",NA,NA
+"29856","8-Nitro-10-oxo-5H-benzo[b][1,6]naphthyridine-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Nitro-10-oxo-5H-benzo[b][1,6]naphthyridine-6-carboxylic acid",NA,"C1=CN=CC2=C1NC3=C(C2=O)C=C(C=C3C(=O)O)[N+](=O)[O-]","YUBVMQQPGYAMEU-UHFFFAOYSA-N",383235,NA,"PDBC29856","671350","Present",NA,NA
+"29857","8-Nitro-12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Nitro-12H-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine hydrochloride",NA,"C1=CC=C2C(=C1)C(=N)N3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=N2.Cl","SRNNYZSXJNPABK-UHFFFAOYSA-N",382432,NA,"PDBC29857","669998","Present",NA,NA
+"29858","8-Nitro-5-[(triphenylphosphoranylidene)amino]tetrazolo[1,5-a]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Nitro-5-[(triphenylphosphoranylidene)amino]tetrazolo[1,5-a]pyridine",NA,"C1=CC=C(C=C1)P(=NC2=CC=C(C3=NN=NN23)[N+](=O)[O-])(C4=CC=CC=C4)C5=CC=CC=C5","KQOYKXKVEYTOCS-UHFFFAOYSA-N",370699,NA,"PDBC29858","644196","Present",NA,NA
+"29859","8-O-Benzyl 11-O-methyl (11R)-11-[1-(benzenesulfonyl)indol-2-yl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-8,11-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-O-Benzyl 11-O-methyl (11R)-11-[1-(benzenesulfonyl)indol-2-yl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-8,11-dicarboxylate",NA,"CC1(OC2C3CC(C(C2O1)N(C3)C(=O)OCC4=CC=CC=C4)(C5=CC6=CC=CC=C6N5S(=O)(=O)C7=CC=CC=C7)C(=O)OC)C","GYXGOEFTIQHOKG-KZIMYOLGSA-N",397002,NA,"PDBC29859","704239","Present",NA,NA
+"29860","8-O-Ethyl 7-O-methyl (2R,7S,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-O-Ethyl 7-O-methyl (2R,7S,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7,8-dicarboxylate",NA,"CCOC(=O)C1C=C2C(C3C(O2)OC4(O3)CCCCC4)C5C1(C(=O)C=CC5=O)C(=O)OC","CDOZFUHODPVZJX-VEBIFSKJSA-N",367565,NA,"PDBC29860","637398","Present",NA,NA
+"29861","8-O-Ethyl 7-O-methyl (7S,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-O-Ethyl 7-O-methyl (7S,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7,8-dicarboxylate",NA,"CCOC(=O)C1C=C2C(C3C(O2)OC4(O3)CCCCC4)C5C1(C(=O)CCC5=O)C(=O)OC","YXZXPVCRLFOQHP-ZPEHMJEESA-N",367568,NA,"PDBC29861","637401","Present",NA,NA
+"29862","8-O-Ethyl 7-O-methyl (7S,8S,12R,16R)-3,6-dihydroxy-8-methylspiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,3,5,9-tetraene-14,1'-cyclohexane]-7,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-O-Ethyl 7-O-methyl (7S,8S,12R,16R)-3,6-dihydroxy-8-methylspiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-1,3,5,9-tetraene-14,1'-cyclohexane]-7,8-dicarboxylate",NA,"CCOC(=O)C1(C=C2C(=C3C1(C(=CC=C3O)O)C(=O)OC)C4C(O2)OC5(O4)CCCCC5)C","RNYPKDPPJJRXON-JDCWHPJTSA-N",6711689,NA,"PDBC29862","637402","Present",NA,NA
+"29863","8-O-Ethyl-14-benzoylaconine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-O-Ethyl-14-benzoylaconine",NA,"CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6OCC7=CC=CC=C7)O)OC)OCC)OC)OC)O)COC","HONBADYZGUTCEL-YIFQFTKESA-N",6712070,NA,"PDBC29863","654826","Present",NA,NA
+"29864","8-O-Ethylaconine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-O-Ethylaconine",NA,"CCN1CC2(C(CC(C34C2C(C(C31)C5(CC(C6(CC4C5C6O)O)OC)OCC)OC)OC)O)COC","SHPOWCFBTVMHGI-PTBRFJLSSA-N",6712071,NA,"PDBC29864","654827","Present",NA,NA
+"29865","8-O-demethylmaritidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-O-demethylmaritidine",NA,"COC1=C(C=C2CN3CCC4(C3CC(C=C4)O)C2=C1)O","TZTBAJFJEZRQCV-VHWKEVPUSA-N",366997,NA,"PDBC29865","636229","Present",NA,NA
+"29866","8-Oxa-1-aza-9$l^{2}-iridabicyclo[4.3.0]nonan-7-one; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Oxa-1-aza-9$l^{2}-iridabicyclo[4.3.0]nonan-7-one; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC29866","658475","Present",NA,NA
+"29867","8-Oxa-1-azonia-9$l^{2}-iridabicyclo[4.3.0]nona-1(6),2,4-trien-7-one; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Oxa-1-azonia-9$l^{2}-iridabicyclo[4.3.0]nona-1(6),2,4-trien-7-one; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC29867","658476","Present",NA,NA
+"29868","8-Oxapentacyclo[11.7.1.02,7.09,21.015,20]henicos-1-ene-5,14-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Oxapentacyclo[11.7.1.02,7.09,21.015,20]henicos-1-ene-5,14-dione",NA,"C1CCC2C(C1)C(=O)C3CCCC4C3C2=C5CCC(=O)CC5O4","VETBAJOOAOCRGE-UHFFFAOYSA-N",276142,NA,"PDBC29868","123399","Present",NA,NA
+"29869","8-Oxo-10-oxa-3,4,5-triaza-tricyclo[5.2.1.02,6]dec-4-ene-3-carboxylic acid isobutyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylpropyl 5-oxo-3a,4,5,6,7,7a-hexahydro-1h-4,7-epoxybenzotriazole-1-carboxylate",NA,"CC(C)COC(=O)N1C2C3CC(=O)C(C2N=N1)O3","FUQLHILUPYDCDM-UHFFFAOYSA-N",368689,NA,"PDBC29869","639821","Present",NA,NA
+"29870","8-Oxo-8H-1,7b,14-triazadibenzo[e,k]acephenanthrylene-2-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 12-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2,4,6,8,10,14,16,18,20,22-undecaene-22-carboxylate",NA,"COC(=O)C1=NC2=C3C(=C1)C4=CC=CC=C4N3C(=O)C5=CC6=CC=CC=C6N=C52","KOHRTFVWYRXJDL-UHFFFAOYSA-N",23584225,NA,"PDBC29870","742034","Present",NA,NA
+"29871","8-Oxo-octadecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-oxostearic acid",NA,"CCCCCCCCCCC(=O)CCCCCCC(=O)O","OTXWABSAIDKSMU-UHFFFAOYSA-N",361946,NA,"PDBC29871","625431","Present",NA,NA
+"29872","8-Phenyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Phenyl-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine",NA,"C1CC2=C3C(=NC(=NC3=NC=C2CC1C4=CC=CC=C4)N)N","RWUPGPLQDZWOTO-UHFFFAOYSA-N",401168,NA,"PDBC29872","714364","Present",NA,NA
+"29873","8-Phenyl-8,9-dihydro-4H,7H-furo[2',3',4':4,5]naphtho[2,1-e][1,3]oxazin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Phenyl-8,9-dihydro-4H,7H-furo[2',3',4':4,5]naphtho[2,1-e][1,3]oxazin-4-one",NA,"C1C2=CC3=C4C(=C2OCN1C5=CC=CC=C5)C=CC=C4C(=O)O3","VLPRAVUZDAXNGE-UHFFFAOYSA-N",373968,NA,"PDBC29873","651000","Present",NA,NA
+"29874","8-Propyl-2,6,9a-triaza-9aH-benz[cd]azulene-7,9(6H,8H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Propyl-2,6,9a-triaza-9aH-benz[cd]azulene-7,9(6H,8H)-dione",NA,"CCCC1C(=O)NC2=CC=CC3=C2N(C1=O)C=N3","LRFRFKHDOCURQI-UHFFFAOYSA-N",393556,NA,"PDBC29874","695626","Present",NA,NA
+"29875","8-Quinolinecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinecarbaldehyde (5-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazone",NA,"C1=CC2=C(C(=C1)C=NNC3=C(C=CC(=C3)Cl)[N+](=O)[O-])N=CC=C2","OWZXXNXBZUKAIS-VXLYETTFSA-N",9571416,NA,"PDBC29875","658006","Present",NA,NA
+"29876","8-Quinolinecarbaldehyde methyl(2,4,6-tris(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-2,4,6-trinitro-N-[(E)-8-quinolylmethyleneamino]aniline",NA,"CN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=CC3=C2N=CC=C3","DOZORKGTBWIABA-VXLYETTFSA-N",9555797,NA,"PDBC29876","629872","Present",NA,NA
+"29877","8-Quinolinecarbaldehyde methyl(phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-[(E)-8-quinolylmethyleneamino]aniline",NA,"CN(C1=CC=CC=C1)N=CC2=CC=CC3=C2N=CC=C3","CZRDQXHHOBMRTG-CPNJWEJPSA-N",9555807,NA,"PDBC29877","630683","Present",NA,NA
+"29878","8-Quinolinecarboxaldehyde, 2-(2,4-dinitrophenyl)-2-methyl-hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinecarboxaldehyde, 2-(2,4-dinitrophenyl)-2-methy...",NA,"CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=CC3=C2N=CC=C3","MFRQPZWPZFPOGU-YBFXNURJSA-N",9555808,NA,"PDBC29878","630684","Present",NA,NA
+"29879","8-Quinolinecarboxamide,1'-biphenyl]-4-yl)-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinecarboxamide, N-[2-(dimethylamino)ethyl]-2- 2-...",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4.Cl","HAXRBQRENPHUBL-UHFFFAOYSA-N",358091,NA,"PDBC29879","617939","Present",NA,NA
+"29880","8-Quinolinol, 5-benzyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T66 BNJ G1R& JQ",NA,"C1=CC=C(C=C1)CC2=C3C=CC=NC3=C(C=C2)O","XMMNJZRNOIZBDA-UHFFFAOYSA-N",81403,NA,"PDBC29880","32190","Present",NA,NA
+"29881","8-Quinolinol, vanadium(V) complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-quinolinol, vanadium(v) complex",NA,"C1CC2CCC[N-]C2C(C1)O.C1CC2CCC[N-]C2C(C1)O.O[V]=O","YJINWQPTXYGAHQ-UHFFFAOYSA-M",54606261,NA,"PDBC29881","88941","Present",NA,NA
+"29882","8-Quinolinone,6,7,8-tetrahydro-7-(phenylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinone, 2-chloro-5,6,7,8-tetrahydro-7-(phenylmeth...",NA,"C1CC(=CC2=CC=CC=C2)C(=O)C3=C1C=CC(=N3)Cl","GUNRWGBWPKWBSG-JLHYYAGUSA-N",5470385,NA,"PDBC29882","700549","Present",NA,NA
+"29883","8-Quinolinyl 2,6-dichlorophenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolinyl 2,6-dichlorophenylcarbamate",NA,"C1=CC2=C(C(=C1)OC(=O)NC3=C(C=CC=C3Cl)Cl)N=CC=C2","NRZQZRPKUKHRFS-UHFFFAOYSA-N",342123,NA,"PDBC29883","377396","Present",NA,NA
+"29884","8-Quinolyl 6-chloro-3-[N-(4-fluorophenyl)-5-bromo-2-thienylsulfonamido]-1,4,2-benzodithiazine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Quinolyl 6-chloro-3-[N-(4-fluorophenyl)-5-bromo-2-thie...",NA,"C1=CC2=C(C(=C1)OC(=O)C3=CC4=C(C=C3Cl)SC(=NS4(=O)=O)N(C5=CC=C(C=C5)F)S(=O)(=O)C6=CC=C(S6)Br)N=CC=C2","REYYNJDOUVLINY-UHFFFAOYSA-N",24206076,NA,"PDBC29884","740013","Present",NA,NA
+"29885","8-Theophyllinepropionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Theophyllinepropionic acid",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC(=O)O","RJXYOFPNOBNMOX-UHFFFAOYSA-N",225218,NA,"PDBC29885","36534","Present",NA,NA
+"29886","8-Theophyllinevaleric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Theophyllinevaleric acid",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCC(=O)O","INKHLBGUHJMJGC-UHFFFAOYSA-N",225054,NA,"PDBC29886","14119","Present",NA,NA
+"29887","8-Thiabicyclo[3.2.1]octan-3-one 8-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Thiabicyclo[3.2.1]octan-3-one 8-oxide",NA,"C1CC2CC(=O)CC1S2=O","TUZQVRKEROXVIJ-UHFFFAOYSA-N",382571,NA,"PDBC29887","670182","Present",NA,NA
+"29888","8-Trichloromethyldihydroberberine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-trichloromethyldihydroberberine",NA,"COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2C(Cl)(Cl)Cl)OCO5)OC","CAGHPRDTHLKFCW-UHFFFAOYSA-N",320713,NA,"PDBC29888","269192","Present",NA,NA
+"29889","8-[(2-Pyridylmethyl)thio]-2-thiotheophylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[(2-Pyridylmethyl)thio]-2-thiotheophylline",NA,"CN1C2=C(C(=O)N(C1=S)C)NC(=N2)SCC3=CC=CC=N3","JEQRSEYZISVMFU-UHFFFAOYSA-N",97098,NA,"PDBC29889","99663","Present",NA,NA
+"29890","8-[(2E)-2-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[(2E)-2-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3,7-trimethylpurine-2,6-dione",NA,"CN1C2=C(N=C1NN=C3N(C(=O)CS3)CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C","HJLKRSCOGVIVDY-HEHNFIMWSA-N",9572581,NA,"PDBC29890","720619","Present",NA,NA
+"29891","8-[(2E)-2-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[(2E)-2-(3-Benzyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NN=C3N(C(=O)CS3)CC4=CC=CC=C4","GUBJPQPIGAMWQI-LTGZKZEYSA-N",9572579,NA,"PDBC29891","720617","Present",NA,NA
+"29892","8-[(2E)-2-(3-Butyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[(2E)-2-(3-Butyl-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinyl]-1,3-dimethyl-7H-purine-2,6-dione",NA,"CCCCN1C(=O)CSC1=NNC2=NC3=C(N2)C(=O)N(C(=O)N3C)C","PVSHNUROCTURGI-QGOAFFKASA-N",9572578,NA,"PDBC29892","720616","Present",NA,NA
+"29893","8-[(4-Hydroxycyclohexyl)amino]-3-propyl-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)-2H-isoquinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-((4-hydroxycyclohexyl)amino)-3-propyl-6-(3,6,6-trimeth...",NA,"CCCC1=CC2=CC(=CC(=C2C(=O)N1)NC3CCC(CC3)O)N4C5=C(C(=N4)C)C(=O)CC(C5)(C)C","QRUAXSIQUFUVJC-UHFFFAOYSA-N",153370949,NA,"PDBC29893","790966","Present",NA,NA
+"29894","8-[(4-Tert-butylphenoxy)methyl]-1,7-dihydro-1H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[(4-tert-butylphenoxy)methyl]-1,3-dimethyl-3,7-dihydro...",NA,"CC(C)(C)C1=CC=C(C=C1)OCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C","FXCSOKVUMFCIKV-UHFFFAOYSA-N",235292,NA,"PDBC29894","36525","Present",NA,NA
+"29895","8-[(5,5'-Ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[(5,5'-Ditert-butyl-2,2'-spirobi[1,3,2lambda5-benzodioxaphosphole]-2-yl)oxy]quinoline",NA,"CC(C)(C)C1=CC2=C(C=C1)OP3(O2)(OC4=C(O3)C=C(C=C4)C(C)(C)C)OC5=CC=CC6=C5N=CC=C6","HISIPEQWHKYQMS-UHFFFAOYSA-N",360395,NA,"PDBC29895","622460","Present",NA,NA
+"29896","8-[(5-Methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl)methoxy]quinoline hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methyl-1-[(quinolin-8-yloxy)methyl]octahydro-2h-quinolizinium iodide",NA,"C[N+]12CCCCC1C(CCC2)COC3=CC=CC4=C3N=CC=C4.[I-]","QCYYAIRVSCBNKJ-UHFFFAOYSA-M",390685,NA,"PDBC29896","688319","Present",NA,NA
+"29897","8-[(E)-2-Diethylaminoethyliminomethyl]-2-[8-[(E)-2-diethylaminoethyliminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-5-isopropyl-3-methyl-naphthalene-1,6,7-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[2-(Diethylamino)ethyliminomethyl]-2-[8-[2-(diethylamino)ethyliminomethyl]-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl]-3-methyl-5-propan-2-ylnaphthalene-1,6,7-triol",NA,"CCN(CC)CCN=CC1=C(C(=C(C2=C1C(=C(C(=C2)C)C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCN(CC)CC)O)O)C(C)C)O)O)C(C)C)O)O","WQWALOPHLHWWBW-UHFFFAOYSA-N",237052,NA,"PDBC29897","40264","Present",NA,NA
+"29898","8-[(E)-Dimethylaminoazo]-7-[1-hydroxy-2-[(1-methyl-3-phenyl-propyl)amino]ethyl]-1,3-dimethyl-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[(E)-Dimethylaminodiazenyl]-7-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-1,3-dimethylpurine-2,6-dione",NA,"CC(CCC1=CC=CC=C1)NCC(N2C3=C(N=C2N=NN(C)C)N(C(=O)N(C3=O)C)C)O","FSQUGRGDPXIYIJ-OCOZRVBESA-N",5469143,NA,"PDBC29898","683618","Present",NA,NA
+"29899","8-[(E)-[4-(2-Hydroxyethyl)piperazin-1-yl]diazenyl]-1,3-dimethyl-7H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[(E)-[4-(2-Hydroxyethyl)piperazin-1-yl]diazenyl]-1,3-dimethyl-7H-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N=NN3CCN(CC3)CCO","LPJOKQWPZXJQQU-WUKNDPDISA-N",135408717,NA,"PDBC29899","62598","Present",NA,NA
+"29900","8-[-(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[-(2-Hydroxynaphthalen-1-yl)diazenyl]naphthalene-1,6-d...",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C(=CC(=C3)S(=O)(=O)O)C=CC=C4S(=O)(=O)O)O.[Na+]","NYVOIIHUJCIQND-UHFFFAOYSA-N",135534342,NA,"PDBC29900","75957","Present",NA,NA
+"29901","8-[1-(1-Benzothiophen-2-yl)cyclohexyl]-1,4-dioxa-8-azaspiro[4.5]decane;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[1-(1-Benzothiophen-2-yl)cyclohexyl]-1,4-dioxa-8-azaspiro[4.5]decane;(E)-but-2-enedioic acid",NA,"C1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCC5(CC4)OCCO5.C(=CC(=O)O)C(=O)O","OVANOCHWIABTOS-WLHGVMLRSA-N",5471076,NA,"PDBC29901","708120","Present",NA,NA
+"29902","8-[2-(Dimethylamino)ethoxy]-5-nitroquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[2-(Dimethylamino)ethoxy]-5-nitroquinoline",NA,"CN(C)CCOC1=C2C(=C(C=C1)[N+](=O)[O-])C=CC=N2.Cl","MWLBVVMAWMDWFO-UHFFFAOYSA-N",370832,NA,"PDBC29902","644498","Present",NA,NA
+"29903","8-[2-(Dimethylamino)ethyl-methylcarbamoyl]naphthalene-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[2-(Dimethylamino)ethyl-methylcarbamoyl]naphthalene-1-carboxylic acid",NA,"CN(C)CCN(C)C(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)O","AOXYEPUQIIYPMW-UHFFFAOYSA-N",357368,NA,"PDBC29903","615801","Present",NA,NA
+"29904","8-[2-(Methylamino)-3-pyridylamino]-10-methyldipyrido[1,2-a:2',3'-d]imidazole-6(10H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Methyl-11-[[2-(methylamino)pyridin-3-yl]amino]-1,6,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,9,11-pentaen-13-one",NA,"CNC1=C(C=CC=N1)NC2=CC(=O)N3C4=C(N=CC=C4)N(C3=C2)C","KDZTZNGSSHJYPS-UHFFFAOYSA-N",396076,NA,"PDBC29904","701586","Present",NA,NA
+"29905","8-[3-(m-Aminobenzamido)-4-methylbenzamido]-1,5-naphthalenetrisulfonic acid, trisodium salt, dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[3-(m-Aminobenzamido)-4-methylbenzamido]-1,3,5- naphth...",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)N.[Na+]","IROYMJWWVOTZRG-UHFFFAOYSA-N",54608723,NA,"PDBC29905","633234","Present",NA,NA
+"29906","8-[3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[3-[4-(2-Benzhydryloxyethyl)piperazin-1-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(Z)-but-2-enedioic acid",NA,"C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCN4CCN(CC4)CCOC(C5=CC=CC=C5)C6=CC=CC=C6.C(=CC(=O)O)C(=O)O","PPNRAORUJMLRNR-BTJKTKAUSA-N",5471949,NA,"PDBC29906","715563","Present",NA,NA
+"29907","8-[3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[3-[4-[2-[Bis(4-fluorophenyl)methoxy]ethyl]piperazin-1-yl]propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one",NA,"C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCN4CCN(CC4)CCOC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F","QZZMTYFFXGERDK-UHFFFAOYSA-N",401832,NA,"PDBC29907","715546","Present",NA,NA
+"29908","8-[4-(Dimethylamino)phenyl]-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[4-(Dimethylamino)phenyl]-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-ol",NA,"CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)N(C)C)O","PIASYSCTSBHKAT-UHFFFAOYSA-N",343521,NA,"PDBC29908","382988","Present",NA,NA
+"29909","8-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphtho[1,2-g]pteridine-9,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]naphtho[1,2-g]pteridine-9,11-dione",NA,"C1C(C(OC1N2C3=NC4=C(C5=CC=CC=C5C=C4)N=C3C(=O)NC2=O)CO)O","JHXMHXNXWGYMMR-UHFFFAOYSA-N",387291,NA,"PDBC29909","680985","Present",NA,NA
+"29910","8-[4-[Bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[4-[Bis(2-chloroethyl)amino]phenyl]-3,7-dihydropurin-6-one",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C(=O)NC=N3)N(CCCl)CCCl","QLMSGIGJKNBEGK-UHFFFAOYSA-N",135454065,NA,"PDBC29910","87086","Present",NA,NA
+"29911","8-[5-(Propan-2-ylamino)pentylamino]quinolin-6-ol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[5-(Propan-2-ylamino)pentylamino]quinolin-6-ol;hydrochloride",NA,"CC(C)NCCCCCNC1=C2C(=CC(=C1)O)C=CC=N2.Cl","QUYHGXMMIPYJLN-UHFFFAOYSA-N",54605112,NA,"PDBC29911","14741","Present",NA,NA
+"29912","8-[5-Amino-3-(4-chlorophenyl)pyrazol-1-yl]-1,3,7-trimethylpurine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[5-Amino-3-(4-chlorophenyl)-1h-pyrazol-1-yl]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione",NA,"CN1C2=C(N=C1N3C(=CC(=N3)C4=CC=C(C=C4)Cl)N)N(C(=O)N(C2=O)C)C","OQXGYTHCMPEUJK-UHFFFAOYSA-N",404397,NA,"PDBC29912","720614","Present",NA,NA
+"29913","8-[5-Amino-3-(4-methylphenyl)pyrazol-1-yl]-1,3,7-trimethylpurine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[5-Amino-3-(4-methylphenyl)-1h-pyrazol-1-yl]-1,3,7-trimethyl-3,7-dihydro-1h-purine-2,6-dione",NA,"CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC4=C(N3C)C(=O)N(C(=O)N4C)C","DCAPDDASYGEEEB-UHFFFAOYSA-N",404398,NA,"PDBC29913","720615","Present",NA,NA
+"29914","8-[5-Amino-3-(4-methylphenyl)pyrazol-1-yl]-1,3-dimethyl-7H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[5-Amino-3-(4-methylphenyl)-1h-pyrazol-1-yl]-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione",NA,"CC1=CC=C(C=C1)C2=NN(C(=C2)N)C3=NC4=C(N3)C(=O)N(C(=O)N4C)C","NIRFZBFWBQKPAE-UHFFFAOYSA-N",404395,NA,"PDBC29914","720612","Present",NA,NA
+"29915","8-[6-(1,3-Dimethyl-2,6-dioxo-7H-purin-8-yl)-4-oxo-2-piperidyl]-1,3-dimethyl-7H-purine-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[6-(1,3-Dimethyl-2,6-dioxo-7H-purin-8-yl)-4-oxo-2-piperidyl]-1,3-dimethyl-7H-purine-2,6-dione",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3CC(=O)CC(N3)C4=NC5=C(N4)C(=O)N(C(=O)N5C)C","YPYFELFDJGPCTJ-UHFFFAOYSA-N",267105,NA,"PDBC29915","106221","Present",NA,NA
+"29916","8-[Bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[Bis(2-chloroethyl)aminomethyl]-7-hydroxy-4-methylchromen-2-one;hydrochloride",NA,"CC1=CC(=O)OC2=C1C=CC(=C2CN(CCCl)CCCl)O.Cl","UNHNQQCNQQBVAN-UHFFFAOYSA-N",24188551,NA,"PDBC29916","77039","Present",NA,NA
+"29917","8-[Dimethoxyphosphorylmethyl(methoxy)phosphoryl]oxy-2,6-dimethyloct-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(Dimethoxyphosphorylmethyl-methoxy-phosphoryl)oxy-2,6-dimethyl-oct-2-ene",NA,"CC(CCC=C(C)C)CCOP(=O)(CP(=O)(OC)OC)OC","WHBJOLUMANAQER-UHFFFAOYSA-N",395718,NA,"PDBC29917","700516","Present",NA,NA
+"29918","8-alpha-Hydroxyverrucarin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-hydroxy verrucarin a",NA,"CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CC(C(=CC5O3)C)O)COC(=O)C1O)C)CO4","KLQXPYFNSWYRBB-YDFGWWAZSA-N",5477083,NA,"PDBC29918","291312","Present",NA,NA
+"29919","8-aminoadenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-aminoadenosine",NA,"C1=NC(=C2C(=N1)N(C(=N2)N)C3C(C(C(O3)CO)O)O)N","DVGWFQILDUEEGX-UHFFFAOYSA-N",259812,NA,"PDBC29919","90394","Present",NA,NA
+"29920","8-azadenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-azadenosine",NA,"C1=NC(=C2C(=N1)N(N=N2)C3C(C(C(O3)CO)O)O)N","OAUKGFJQZRGECT-UHFFFAOYSA-N",251928,NA,"PDBC29920","72961","Present",NA,NA
+"29921","8-{3-[4-(3-Carbazol-9-yl-propyl)-piperazin-1-yl]-propoxy}-7-methoxy-1,3,11a-tetrahydro-benzo[e]pyrrolo[1,2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-{3-[4-(3-Carbazol-9-yl-propyl)-piperazin-1-yl]-propoxy...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4CCN(CC4)CCCN5C6=CC=CC=C6C7=CC=CC=C75","PWWXJRATTSECRZ-SANMLTNESA-N",45028945,NA,"PDBC29921","744992","Present",NA,NA
+"29922","8-{5-[6-(4-Fluorophenyl)-2-methyl-4-pyrimidinyloxy]pentyloxy}-7-methoxy-(11aS)-2,511a-tetrahydro-1H-benzo[e]pyrrolo[1, 2-a][1,4]diazepin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-{5-[6-(4-fluorophenyl)-2-methyl-4-pyrimidinyloxy]penty...",NA,"CC1=NC(=CC(=N1)OCCCCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C5=CC=C(C=C5)F","PCYKVRYRRIIVIP-QFIPXVFZSA-N",12109259,NA,"PDBC29922","727728","Present",NA,NA
+"29923","8001AE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8001AE",NA,"CN1C2=C(C=C(C=C2)Br)OC1=O","OASANCDKMGODJO-UHFFFAOYSA-N",379590,NA,"PDBC29923","664281","Present",NA,NA
+"29924","8443AC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8443AC",NA,"C1C(C2=C(C1=O)SC=C2)N.Cl","VLJFWONKQWZPGU-UHFFFAOYSA-N",390202,NA,"PDBC29924","687361","Present",NA,NA
+"29925","8455AB",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8455AB",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)O2","QRDLKEDMXPGLTP-UVTDQMKNSA-N",1549990,NA,"PDBC29925","24189","Present",NA,NA
+"29926","89UZ7AS4CZ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"89UZ7AS4CZ",NA,"COC1=CC=CC2=C1C(=NC3=C2C(=O)C4=C3C(=CC=C4)OC)N","XXKSUYCJOPFMDG-UHFFFAOYSA-N",336390,NA,"PDBC29926","350364","Present",NA,NA
+"29927","8AF8E4G1FJ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8AF8E4G1FJ",NA,"COC1=CC2=C(C=C1)NC3=CC4=C(C=C3C2=O)NC5=C(C4=O)C=C(C=C5)OC","WKLOSXKZASUWLB-UHFFFAOYSA-N",100426,NA,"PDBC29927","297813","Present",NA,NA
+"29928","8B-Hydroxy-9B,10B-epoxyverrucarin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8b-hydroxy-9b,10b-epoxyverrucarin a",NA,"CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CC(C6(C(C5O3)O6)C)O)COC(=O)C1O)C)CO4","JATSIAAIWIOXMZ-YDFGWWAZSA-N",5477536,NA,"PDBC29928","328166","Present",NA,NA
+"29929","8D-021",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8D-021",NA,"C1=CC=C(C(=C1)NC2=NC=C(S2)C(=O)C3=CC=C(C=C3)Cl)Cl","IRQOIZZTORKYAG-UHFFFAOYSA-N",374056,NA,"PDBC29929","651295","Present",NA,NA
+"29930","8F-900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8F-900",NA,"C1=CC(=CC=C1NC2=NC(=C(S2)N)C#N)[N+](=O)[O-]","WKZFHIVAXRJZRH-UHFFFAOYSA-N",3769282,NA,"PDBC29930","638200","Present",NA,NA
+"29931","8H-(1,3)Oxazolo(3,4-a)perimidin-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8H-[1,3]Oxazolo[3,4-a]perimidin-10-one",NA,"C1C2=NC3=CC=CC4=C3C(=CC=C4)N2C(=O)O1","IWLBTKROGNSERQ-UHFFFAOYSA-N",337010,NA,"PDBC29931","353492","Present",NA,NA
+"29932","8H-(1,3,4)Thiadiazolo(3,2-a)thieno(2,3-d)pyrimidin-8-one, 2,6-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8H-[1,3,4]Thiazolo[3,2a]thieno[2,3d]pyrimidin-8-one, 2,6...",NA,"C1=CC=C(C=C1)C2=CC3=C(S2)N=C4N(C3=O)N=C(S4)C5=CC=CC=C5","ZJENAUVDXNVXPT-UHFFFAOYSA-N",360208,NA,"PDBC29932","622186","Present",NA,NA
+"29933","8H-3,6-Ethanoazonino[5,4-b]indole-7,8-dicarboxylic acid, 1,2,4,5,6,7-hexahydro-4-oxo-5-(phenylsulfonyl)-, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 16-(benzenesulfonyl)-15-oxo-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene-2,4-dicarboxylate",NA,"COC(=O)C1C2CCN(CCC3=C1N(C4=CC=CC=C34)C(=O)OC)C(=O)C2S(=O)(=O)C5=CC=CC=C5","XZRCRLOBUFMTEI-UHFFFAOYSA-N",386814,NA,"PDBC29933","679522","Present",NA,NA
+"29934","8H-5,3-Dioxolo[4,5-h][2]benzoxepin, 9,11-epoxymethano-9-(3,4,5-trimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8H-5,8-Methano-1,3-dioxolo[4,5-h][2]benzoxepin, 9,11-epo...",NA,"COC1=CC(=CC(=C1OC)OC)C23C4COC(C4CO2)C5=CC6=C(C=C35)OCO6","XDKZFFURXVOVOH-QPHVIBCCSA-N",6712626,NA,"PDBC29934","701561","Present",NA,NA
+"29935","8H-Isoquino[2,1-b][2,7]naphthyridin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8H-Isoquino[2,1-b][2,7]naphthyridin-8-one",NA,"C1=CC=C2C(=C1)C=CN3C2=CC4=C(C3=O)C=NC=C4","MHAOLOCIMUJCIB-UHFFFAOYSA-N",388284,NA,"PDBC29935","682924","Present",NA,NA
+"29936","8H-Pyrimido[4,5-e][1,2,4]triazolo[1,2-a][1,2,4]triazine-1,3,8,10(2H,4H,9H)-tetrone, 6-[(4-chlorophenyl)amino]-2,4-dimethyl-9-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Chloroanilino)-10,12-dimethyl-4-phenyl-2,4,6,8,10,12-hexazatricyclo[7.4.0.02,6]trideca-1(9),7-diene-3,5,11,13-tetrone",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C(=O)N(C(=O)N3C(=N2)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","BYVSIPNFZUMKBF-UHFFFAOYSA-N",387346,NA,"PDBC29936","681099","Present",NA,NA
+"29937","8H-Pyrimido[4,5-e][1,2,4]triazolo[1,2-a][1,2,4]triazine-1,3,8,10(2H,4H,9H)-tetrone, 6-[(4-chlorophenyl)amino]-9-(4-ethoxyphenyl)-2,4-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Chloroanilino)-4-(4-ethoxyphenyl)-10,12-dimethyl-2,4,6,8,10,12-hexazatricyclo[7.4.0.02,6]trideca-1(9),7-diene-3,5,11,13-tetrone",NA,"CCOC1=CC=C(C=C1)N2C(=O)N3C4=C(N=C(N3C2=O)NC5=CC=C(C=C5)Cl)N(C(=O)N(C4=O)C)C","MDIVIFBDHKAGDB-UHFFFAOYSA-N",387347,NA,"PDBC29937","681100","Present",NA,NA
+"29938","8H-Quino[4,3,2-kl]acridine(9CI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000407",NA,"C1=CC=C2C(=C1)C3=NC4=CC=CC=C4C5=C3C(=CC=C5)N2","SCZSPPOWUKAPDY-UHFFFAOYSA-N",438792,NA,"PDBC29938","670692","Present",NA,NA
+"29939","8H-Thieno[2,3-b]pyrrolizinium, 3-(4-bromophenyl)-4-methyl-8-(1-pyrrolidinyl)-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8H-Thieno[2,3-b]pyrrolizinium, 3-(4-bromophenyl)-4-methy...",NA,"C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=C(C=C4)Br)N5CCCC5.[I-]","HXBFZJGPBNRVAE-UHFFFAOYSA-M",388536,NA,"PDBC29939","683517","Present",NA,NA
+"29940","8H-[1,3]Thiazolo[3',4':1,2]imidazo[4,5-b]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8H-[1,3]Thiazolo[3',4':1,2]imidazo[4,5-b]pyridine",NA,"C1C2=NC3=C(N2CS1)C=CC=N3","FYAXHODWYVUAIY-UHFFFAOYSA-N",368704,NA,"PDBC29940","639840","Present",NA,NA
+"29941","8W-0228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8W-0228",NA,"CC1=CC(=O)NC(=N1)N2C(=O)C3=C(N2)CCCC3","ZIRMOHZKJYUEBC-UHFFFAOYSA-N",135408826,NA,"PDBC29941","680675","Present",NA,NA
+"29942","8W-0230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8W-0230",NA,"CCOC(=O)C1=CN=C(NC1=O)N2C(=O)C3=C(N2)CCCC3","JMQKUBQDZZKADW-UHFFFAOYSA-N",387158,NA,"PDBC29942","680672","Present",NA,NA
+"29943","8W-0235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8W-0235",NA,"C1CCC2=C(C1)C(=O)N(N2)C3=NC(=CC(=O)N3)C4=CC=CC=C4","OOUVWNHMMDXNIM-UHFFFAOYSA-N",135439521,NA,"PDBC29943","680676","Present",NA,NA
+"29944","8W-0323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8W-0323",NA,"CC1=C(C(=O)N(N1)C2=NC(=CC(=O)N2)C3=CC=CC=C3)CCO","OJRDJBUJACVYFQ-UHFFFAOYSA-N",135409194,NA,"PDBC29944","664724","Present",NA,NA
+"29945","8X-0821",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8X-0821",NA,"CCOC(=O)C1=CN2C3=C(C=C(C=C3)F)SC2=N1","UZDXFYLOOANIJW-UHFFFAOYSA-N",396585,NA,"PDBC29945","703093","Present",NA,NA
+"29946","8a-(2-Methoxyphenyl)-2a-methyl-2a,8a-dihydrooxeto[3,2-b]chromene-2,8-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8a-(2-Methoxyphenyl)-2a-methyl-2a,8a-dihydrooxeto[3,2-b]chromene-2,8-dione",NA,"CC12C(=O)OC1(C(=O)C3=CC=CC=C3O2)C4=CC=CC=C4OC","DIFFJHLTSPURHJ-UHFFFAOYSA-N",362429,NA,"PDBC29946","626368","Present",NA,NA
+"29947","8a-(4-Chlorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8a-(4-Chlorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one",NA,"C1CC2(NC3=C(N2C1=O)C=CC=N3)C4=CC=C(C=C4)Cl","SSEKINPAJALDBU-UHFFFAOYSA-N",368708,NA,"PDBC29947","639844","Present",NA,NA
+"29948","8a-(4-Chlorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[2,1-f]purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5a-(4-Chlorophenyl)-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one",NA,"C1CC2(NC3=NC=NC=C3N2C1=O)C4=CC=C(C=C4)Cl","BUJJJDOCEFCTOD-UHFFFAOYSA-N",375662,NA,"PDBC29948","655503","Present",NA,NA
+"29949","8a-(4-Fluorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8a-(4-Fluorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one",NA,"C1CC2(NC3=C(N2C1=O)C=CC=N3)C4=CC=C(C=C4)F","OPSPNCQZCKHLHN-UHFFFAOYSA-N",368709,NA,"PDBC29949","639845","Present",NA,NA
+"29950","8a-(4-Fluorophenyl)-7,8,8a,9-tetrahydro-6H-pyrrolo[2,1-f]purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5a-(4-Fluorophenyl)-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one",NA,"C1CC2(NC3=NC=NC=C3N2C1=O)C4=CC=C(C=C4)F","TZLPAQAKUQARDL-UHFFFAOYSA-N",375663,NA,"PDBC29950","655504","Present",NA,NA
+"29951","8a-Ethoxy-6,8-dimethyl-2-(4-toluidino)-6,8a-dihydro-5H-[1,3,4]thiadiazolo[3,2-d][1,2,4]triazine-5-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8a-Ethoxy-6,8-dimethyl-2-(4-methylanilino)-[1,3,4]thiadiazolo[3,2-d][1,2,4]triazine-5-thione",NA,"CCOC12C(=NN(C(=S)N1NC(=NC3=CC=C(C=C3)C)S2)C)C","OLRGMSZHVRDGAY-UHFFFAOYSA-N",135409033,NA,"PDBC29951","655068","Present",NA,NA
+"29952","8a-Ethyl-3-(hydroxymethyl)-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8a-Ethyl-3-(hydroxymethyl)-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one",NA,"CCC12CCCC(=O)N1C(C(O2)C3=CC=CC=C3)CO","ATCFHZPGPVLBLS-UHFFFAOYSA-N",359372,NA,"PDBC29952","620183","Present",NA,NA
+"29953","8a-Hydroxy-4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-6-one;2-[bis(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8a-Hydroxy-4-(2-hydroxyethyl)-2,3-dihydro-1,4-benzoxazin-6-one;2-[bis(2-hydroxyethyl)amino]cyclohexa-2,5-diene-1,4-dione",NA,"C1COC2(C=CC(=O)C=C2N1CCO)O.C1=CC(=O)C(=CC1=O)N(CCO)CCO","YLTQGXDKSJPYKS-UHFFFAOYSA-N",6712390,NA,"PDBC29953","679563","Present",NA,NA
+"29954","8a-Methyl-7,8,8a,10,11,13-hexahydro-6H,9H-benzo[7,8]isothiochromeno[4,3-c]thiochromen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8a-Methyl-7,8,8a,10,11,13-hexahydro-6H,9H-benzo[7,8]isothiochromeno[4,3-c]thiochromen-9-one",NA,"CC12CCC3=C(C1=CCCC2=O)CSC4=C3CSC5=CC=CC=C54","ZUQQCKGJXYPCIS-UHFFFAOYSA-N",375101,NA,"PDBC29954","654112","Present",NA,NA
+"29955","8a-Methyl-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8a-Methyl-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one",NA,"CC12CCC(=O)N1C3=C(N2)N=CC=C3","HQHUPVAFMSPKPB-UHFFFAOYSA-N",368706,NA,"PDBC29955","639842","Present",NA,NA
+"29956","8a-Methyl-7,8,8a,9-tetrahydro-6H-pyrrolo[2,1-f]purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5a-Methyl-6,7-dihydro-5H-purino[7,8-a]pyrrol-8-one",NA,"CC12CCC(=O)N1C3=CN=CN=C3N2","GERDYGCBXHVJMR-UHFFFAOYSA-N",375661,NA,"PDBC29956","655502","Present",NA,NA
+"29957","8a-Phenyl-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8a-Phenyl-7,8,8a,9-tetrahydro-6H-pyrrolo[1',2':1,2]imidazo[4,5-b]pyridin-6-one",NA,"C1CC2(NC3=C(N2C1=O)C=CC=N3)C4=CC=CC=C4","ICJGOYPVYRSWGD-UHFFFAOYSA-N",368707,NA,"PDBC29957","639843","Present",NA,NA
+"29958","8b-Hydroxy-3a-methyl-1-(4-nitrophenyl)indeno[1,2-d]triazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8b-Hydroxy-3a-methyl-1-(4-nitrophenyl)indeno[1,2-d]triazol-4-one",NA,"CC12C(=O)C3=CC=CC=C3C1(N(N=N2)C4=CC=C(C=C4)[N+](=O)[O-])O","HWKUFLVWLDCUGM-UHFFFAOYSA-N",375389,NA,"PDBC29958","655061","Present",NA,NA
+"29959","8c-Chloro-10-methyl-9,11-dioxo-8c,9,10,11,11a,11b-hexahydro-8bH-phenanthro[9',10':3,4]cyclobuta[1,2-c]pyrrol-8b-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(19-Chloro-17-methyl-16,18-dioxo-17-azapentacyclo[12.5.0.02,7.08,13.015,19]nonadeca-2,4,6,8,10,12-hexaen-1-yl) acetate",NA,"CC(=O)OC12C(C3C1(C(=O)N(C3=O)C)Cl)C4=CC=CC=C4C5=CC=CC=C25","HJLALHCILCKSMC-UHFFFAOYSA-N",372345,NA,"PDBC29959","647404","Present",NA,NA
+"29960","9(10H)-Acridinone, 1,3-bis(acetyloxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9(10H)-Acridinone, 1,3-bis(acetyloxy)-",NA,"CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=CC=CC=C3N2","AJETWHCOUWPXNO-UHFFFAOYSA-N",375866,NA,"PDBC29960","656164","Present",NA,NA
+"29961","9(10H)-Acridinone, 1,3-bis(acetyloxy)-10-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9(10H)-Acridinone, 1,3-bis(acetyloxy)-10-methyl-",NA,"CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=CC=CC=C3N2C","NAYAWQCLUGXUJD-UHFFFAOYSA-N",375867,NA,"PDBC29961","656165","Present",NA,NA
+"29962","9(10H)-Anthracenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9(10H)-Anthracenone (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,"C1C2=CC=CC=C2C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C41","IURNRMYJBRECDR-UHFFFAOYSA-N",305123,NA,"PDBC29962","201873","Present",NA,NA
+"29963","9(10H)-Anthracenone, 2-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-methoxy-9-anthrone",NA,"COC1=CC2=C(CC3=CC=CC=C3C2=O)C=C1","XNWWJPDGBVFOFX-UHFFFAOYSA-N",436173,NA,"PDBC29963","400206","Present",NA,NA
+"29964","9(2H)-Acridinone, 1,3,4,10-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766649",NA,"C1CCC2=C(C1)C(=O)C3=CC=CC=C3N2","CVEXTAUZJWYDJX-UHFFFAOYSA-N",95996,NA,"PDBC29964","766649","Present",NA,NA
+"29965","9, 1-[(Oxiranylmethyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Anthracenedione, 1-[(oxiranylmethyl)amino]-",NA,"C1C(O1)CNC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O","IQWLKDBTUNXTFR-UHFFFAOYSA-N",384119,NA,"PDBC29965","673348","Present",NA,NA
+"29966","9,10-Anthracenedione, 1,4-bis((3-((2-hydroxyethyl)amino)propyl)amino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Anthracenedione, 1,4-bis[[3-[(2-hydroxyethyl)amino]...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCCNCCO)NCCCNCCO","SIDWSIHMDVGHMD-UHFFFAOYSA-N",72743,NA,"PDBC29966","278467","Present",NA,NA
+"29967","9,10-Anthracenedione, 1-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Anthracenedione, 1-hydroxy-4-[[2-[(2-hydroxyethyl)a...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)NCCNCCO","ODQHMLBNJHJVIM-UHFFFAOYSA-N",72747,NA,"PDBC29967","299187","Present",NA,NA
+"29968","9,10-Bis(4-((5-bromopentyl)oxy)phenyl)anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-bis[4-(5-bromopentoxy)phenyl]anthracene",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)OCCCCCBr)C5=CC=C(C=C5)OCCCCCBr","IQKXIXAHZYRQIC-UHFFFAOYSA-N",378368,NA,"PDBC29968","660665","Present",NA,NA
+"29969","9,10-Bis(4-hydroxyphenyl)anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Bis(4-hydroxyphenyl)anthracene",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2C4=CC=C(C=C4)O)C5=CC=C(C=C5)O","OPKQAOBTBQLNCB-UHFFFAOYSA-N",374566,NA,"PDBC29969","652540","Present",NA,NA
+"29970","9,10-Bis(4-methoxyphenyl)anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VLS3CT1D5Z",NA,"COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OC","KTYCXBAOXVVIMM-UHFFFAOYSA-N",374567,NA,"PDBC29970","652541","Present",NA,NA
+"29971","9,10-Bis[(1-ethyl-3-piperidinylamino)methyl]anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Bis[(1-ethyl-3-piperidinylamino)methyl]anthracene",NA,"CCN1CCCC(C1)NCC2=C3C=CC=CC3=C(C4=CC=CC=C42)CNC5CCCN(C5)CC","MNKRQQBDUQTENM-UHFFFAOYSA-N",360269,NA,"PDBC29971","622294","Present",NA,NA
+"29972","9,10-Bis{[-2-(piperazin-1-yl)etyl]aminometyl}antracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-bis{[-2-(piperazin-1-yl)etyl]aminometyl}antracene",NA,"C1CN(CCN1)CCNCC2=C3C=CC=CC3=C(C4=CC=CC=C42)CNCCN5CCNCC5.Cl","WCWMOTGTWPQKQO-UHFFFAOYSA-N",24203232,NA,"PDBC29972","727241","Present",NA,NA
+"29973","9,10-Dihydro-4-methoxy-9-oxo-1-acridinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dihydro-4-methoxy-9-oxo-1-acridinecarboxylic acid",NA,"COC1=C2C(=C(C=C1)C(=O)O)C(=O)C3=CC=CC=C3N2","RZGKCTSDFWAMKX-UHFFFAOYSA-N",362334,NA,"PDBC29973","625993","Present",NA,NA
+"29974","9,10-Dihydro-9-anthracenyl 4-methylbenzenesulfinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dihydro-9-anthracenyl 4-methylbenzenesulfinate",NA,"CC1=CC=C(C=C1)S(=O)OC2C3=CC=CC=C3CC4=CC=CC=C24","UQCAOTZZYYGXSS-UHFFFAOYSA-N",361216,NA,"PDBC29974","624176","Present",NA,NA
+"29975","9,10-Dihydroanthracene-9,10-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dihydroanthracene-9,10-dicarboxylic acid",NA,"C1=CC=C2C(C3=CC=CC=C3C(C2=C1)C(=O)O)C(=O)O","PVMCPGUXDQYVHS-UHFFFAOYSA-N",363755,NA,"PDBC29975","628947","Present",NA,NA
+"29976","9,10-Dihydroxy-7,8-dimethoxy-5-(1-naphthyl)-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dihydroxy-7,8-dimethoxy-5-(1-naphthyl)-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one",NA,"COC1=C(C(=C2C(C3CCC(=O)N3C(C2=C1)C4=CC=CC5=CC=CC=C54)O)O)OC","OIHLTMSXVOAYSE-UHFFFAOYSA-N",393646,NA,"PDBC29976","695857","Present",NA,NA
+"29977","9,10-Dimethoxy-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dimethoxy-2H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinolin-7-ium chloride",NA,"COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4C=C3)OCO5)OC.[Cl-]","OIIGDQKYHCFYQM-UHFFFAOYSA-M",54607904,NA,"PDBC29977","403831","Present",NA,NA
+"29978","9,10-Dimethoxy-7-oxo-6-phenylisoindolo[1,2-d][1,5]benzoxazepine-12-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-dimethoxy-7-oxo-6-phenyl-6,7-dihydroisoindolo[1,2-d...",NA,"COC1=CC2=C(N3C4=CC=CC=C4OC(C(=O)C3=C2C=C1OC)C5=CC=CC=C5)C#N","HUFVQPGNJGRLJH-UHFFFAOYSA-N",155805232,NA,"PDBC29978","773195","Present",NA,NA
+"29979","9,10-Dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,"CC12CC(C(C(=O)N1C)C(=O)N)C3=CC=CC=C3O2","OASASJFONJEUJL-UHFFFAOYSA-N",395967,NA,"PDBC29979","701091","Present",NA,NA
+"29980","9,10-Dimethyl-7-oxo-6-phenylisoindolo[1,2-d][1,5]benzoxazepine-12-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-dimethyl-7-oxo-6-phenyl-6,7-dihydroisoindolo[1,2-d]...",NA,"CC1=CC2=C(N3C4=CC=CC=C4OC(C(=O)C3=C2C=C1C)C5=CC=CC=C5)C#N","ZBQXJGWNHFBMNS-UHFFFAOYSA-N",155808398,NA,"PDBC29980","773194","Present",NA,NA
+"29981","9,10-Dimethyl-9,10-[oxy[(diphenylphosphinyl)imino]]-9,10-dihydroanthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Diphenylphosphoryl-1,8-dimethyl-15-oxa-16-azatetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene",NA,"CC12C3=CC=CC=C3C(C4=CC=CC=C41)(ON2P(=O)(C5=CC=CC=C5)C6=CC=CC=C6)C","FZFFUVRVOVOCSC-UHFFFAOYSA-N",402155,NA,"PDBC29981","716015","Present",NA,NA
+"29982","9,10-Dimethylbenzo[g]pteridine-2,4-dione;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dimethylbenzo[g]pteridine-2,4-dione; 2,2,2-trifluoroacetic acid",NA,"CC1=C2C(=CC=C1)N=C3C(=O)NC(=O)N=C3N2C.C(=O)(C(F)(F)F)O","PMLPHRBOHPYQGJ-UHFFFAOYSA-N",397199,NA,"PDBC29982","704609","Present",NA,NA
+"29983","9,10-Dimethylindolo[1,2-a]quinoline-8,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dimethylindolo[1,2-a]quinoline-8,11-dione",NA,"CC1=C(C(=O)C2=C(C1=O)C=C3N2C4=CC=CC=C4C=C3)C","FRRDOQWLHDYYAT-UHFFFAOYSA-N",362142,NA,"PDBC29983","625728","Present",NA,NA
+"29984","9,10-Dimethylindolo[2,1-a]isoquinoline-8,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dimethylindolo[2,1-a]isoquinoline-8,11-dione",NA,"CC1=C(C(=O)C2=C(C1=O)C=C3N2C=CC4=CC=CC=C43)C","AELLVPUNDHHFJG-UHFFFAOYSA-N",362140,NA,"PDBC29984","625726","Present",NA,NA
+"29985","9,10-Phenanthrenequinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenanthraquinone",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=O","YYVYAPXYZVYDHN-UHFFFAOYSA-N",6763,NA,"PDBC29985","7389","Present",NA,NA
+"29986","9,11,12,13,13a,14-Hexahydrophenanthro[9,10-f]indolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-Pf-2936",NA,"C1CC2CC3=C(CN2C1)C4=CC=CC=C4C5=CC=CC=C35","BDTAOXSJTPSFQD-UHFFFAOYSA-N",265522,NA,"PDBC29986","101644","Present",NA,NA
+"29987","9,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,11-Dimethyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CC1=CC2=C(C=C1)C3=C(N2C)C4=C(C=C3)C(=O)C=CC4=O","WCZVUFVLJZAYKC-UHFFFAOYSA-N",378584,NA,"PDBC29987","661224","Present",NA,NA
+"29988","9,12-Dihydroxy-8,11-dimethoxy-1,2,5,6-tetrahydro-3H,14H-dibenzo[de,g]pyrrolo[2,1-j]quinolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,12-Dihydroxy-8,11-dimethoxy-1,2,5,6-tetrahydro-3H,14H-dibenzo[de,g]pyrrolo[2,1-j]quinolin-3-one",NA,"COC1=C(C2=C3C(=C1)CCN4C3(CCC4=O)CC5=CC(=C(C=C52)OC)O)O","SPEGKEJJLFGOID-UHFFFAOYSA-N",362514,NA,"PDBC29988","626536","Present",NA,NA
+"29989","9,12-Dimethyl-9,12-diazaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.022,27]octacosa-1,3,5,7,10,13,15,17,19,22,24,26-dodecaene-21,28-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,12-Dimethyl-9,12-diazaheptacyclo[18.8.0.02,10.03,8.011,19.013,18.022,27]octacosa-1,3,5,7,10,13,15,17,19,22,24,26-dodecaene-21,28-dione",NA,"CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)C7=CC=CC=C7C4=O","ZAHWAIQMWRFGBG-UHFFFAOYSA-N",392071,NA,"PDBC29989","691883","Present",NA,NA
+"29990","9,14-Dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,14-Dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carbonitrile",NA,"CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1)O)C#N","HTBXZERVJGBJKZ-UHFFFAOYSA-N",405342,NA,"PDBC29990","722565","Present",NA,NA
+"29991","9,14-Dihydroxy-5,5-dimethyl-8-phenyl-8-azapentacyclo[11.8.0.01,9.02,7.015,20]henicosa-2(7),10,13,15,17,19-hexaene-3,12,21-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,14-Dihydroxy-5,5-dimethyl-8-phenyl-8-azapentacyclo[11.8.0.01,9.02,7.015,20]henicosa-2(7),10,13,15,17,19-hexaene-3,12,21-trione",NA,"CC1(CC2=C(C(=O)C1)C34C(=C(C5=CC=CC=C5C3=O)O)C(=O)C=CC4(N2C6=CC=CC=C6)O)C","MNYFWXJHHGUDLX-UHFFFAOYSA-N",405343,NA,"PDBC29991","722566","Present",NA,NA
+"29992","9,20-Diisopropyl-1,13-dioxa-7,10,18,21-tetraazadispiro[4.6.4.6]docosa-10,21-diene-6,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,19-Di(propan-2-yl)-4,16-dioxa-7,10,18,21-tetrazadispiro[4.6.412.65]docosa-6,17-diene-11,22-dione",NA,"CC(C)C1CNC(=O)C2(CCCO2)C=NC(CNC(=O)C3(CCCO3)C=N1)C(C)C","SWWRYTMRLMCVKD-UHFFFAOYSA-N",374397,NA,"PDBC29992","652107","Present",NA,NA
+"29993","9,24-Dibromononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28(32),29,33-hexadecaene-12,21-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,24-Dibromononacyclo[18.10.2.22,5.03,16.04,13.06,11.017,31.022,27.028,32]tetratriaconta-1(31),2,4,6(11),7,9,13,15,17,19,22(27),23,25,28(32),29,33-hexadecaene-12,21-dione",NA,"C1=CC2=C(C=C1Br)C(=O)C3=CC=C4C5=CC=C6C7=C(C=CC(=C57)C8=C4C3=C2C=C8)C9=C(C6=O)C=C(C=C9)Br","YAWQJGMFKCTSSJ-UHFFFAOYSA-N",222032,NA,"PDBC29993","7233","Present",NA,NA
+"29994","9,30-Dimethyl-1,5,7,8,11,12,14,18,21,25,27,28,31,32,34,38-hexadecaazatricyclo[36.2.2.2~18,21~]tetratetraconta-8,10,28,30-tetraene-6,13,26,33-tetrathione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,30-Dimethyl-1,5,7,8,11,12,14,18,21,25,27,28,31,32,34,38-hexadecazatricyclo[36.2.2.218,21]tetratetraconta-8,10,28,30-tetraene-6,13,26,33-tetrathione",NA,"CC1=NNC(=S)NCCCN2CCN(CCCNC(=S)NN=C(C=NNC(=S)NCCCN3CCN(CCCNC(=S)NN=C1)CC3)C)CC2","CSPIUSACYPPDGM-UHFFFAOYSA-N",6399289,NA,"PDBC29994","91767","Present",NA,NA
+"29995","9,4-Dione, 2,3-dichloro-9,10-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-o-Benzenoanthracene-1,4-dione, 2,3-dichloro-9,10-di...",NA,"C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C3C(=O)C(=C(C5=O)Cl)Cl","BHXOWUDBEKWKER-UHFFFAOYSA-N",237850,NA,"PDBC29995","41782","Present",NA,NA
+"29996","9,9,13,13-Tetramethyl-3,19-dioxa-30,33-diazaoctacyclo[19.8.4.14,8.111,14.024,32.027,31.011,35.018,34]pentatriaconta-1(30),4,6,8(35),14(34),15,17,21(33),22,24(32),25,27(31),28-tridecaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,9,13,13-Tetramethyl-3,19-dioxa-30,33-diazaoctacyclo[19.8.4.14,8.111,14.024,32.027,31.011,35.018,34]pentatriaconta-1(30),4,6,8(35),14(34),15,17,21(33),22,24(32),25,27(31),28-tridecaene",NA,"CC1(CC23CC(C4=C2C(=CC=C4)OCC5=NC6=C(C=C5)C=CC7=C6N=C(COC8=CC=CC1=C38)C=C7)(C)C)C","YHKRKSBKIASCIZ-UHFFFAOYSA-N",393208,NA,"PDBC29996","694696","Present",NA,NA
+"29997","9,9,20,20-Tetramethyl-1,13-dioxa-7,10,18,21-tetraazadispiro[4.6.4.6]docosa-10,21-diene-6,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8,19,19-Tetramethyl-4,16-dioxa-7,10,18,21-tetrazadispiro[4.6.412.65]docosa-6,17-diene-11,22-dione",NA,"CC1(CNC(=O)C2(CCCO2)C=NC(CNC(=O)C3(CCCO3)C=N1)(C)C)C","NHOTUVIIHPWZOU-UHFFFAOYSA-N",374396,NA,"PDBC29997","652106","Present",NA,NA
+"29998","9,9,9a-Trimethyl-3-phenyl-9,9a-dihydro[1,2,4]oxadiazolo[4,5-a]indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a,4,4-Trimethyl-1-phenyl-[1,2,4]oxadiazolo[4,5-a]indole",NA,"CC1(C2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C)C","IXYMROIYCOEWNQ-UHFFFAOYSA-N",373089,NA,"PDBC29998","649009","Present",NA,NA
+"29999","9,9-Bis-benzyloxy-10-oxa-3,4,5-triaza-tricyclo[5.2.1.02,6]dec-4-ene-3-carboxylic acid benzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6,6-bis(benzyloxy)-3a,4,5,6,7,7a-hexahydro-1h-4,7-epoxybenzotriazole-1-carboxylate",NA,"C1C2C3C(C(C1(OCC4=CC=CC=C4)OCC5=CC=CC=C5)O2)N(N=N3)C(=O)OCC6=CC=CC=C6","IDABUXLYLVKNKN-UHFFFAOYSA-N",368615,NA,"PDBC29999","639723","Present",NA,NA
+"30000","9,9-Dibromobicyclo[6.1.0]non-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,9-Dibromobicyclo[6.1.0]non-2-ene",NA,"C1CCC2C(C2(Br)Br)C=CC1","SNDYDXJCUVOMRX-HYXAFXHYSA-N",5387609,NA,"PDBC30000","625144","Present",NA,NA
+"30001","9,9-Dimethyl-8-pyridin-2-yl-3,5-dioxa-4lambda4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,9-Dimethyl-8-pyridin-2-yl-3,5-dioxa-4lambda4-thia-2,6-diazatricyclo[5.3.1.04,11]undeca-1,4(11),6-triene",NA,"CC1(CC2=NOS3=C2C(=NO3)C1C4=CC=CC=N4)C","QLFVKGGFKNQVBB-UHFFFAOYSA-N",356809,NA,"PDBC30001","614053","Present",NA,NA
+"30002","9-((2-(Dimethylamino)-1-methylethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((2-(Dimethylamino)-1-methylethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine",NA,"CC(CN(C)C)NC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","QYDPRQWGHLCCDO-UHFFFAOYSA-N",384252,NA,"PDBC30002","673798","Present",NA,NA
+"30003","9-((2-(Dimethylamino)ethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((2-(Dimethylamino)ethyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine",NA,"CN(C)CCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","FGQDRDARUWHKTA-UHFFFAOYSA-N",378851,NA,"PDBC30003","662191","Present",NA,NA
+"30004","9-((2-Chloroethyl)thio)-2,7-dimethoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((2-Chloroethyl)thio)-2,7-dimethoxyacridine",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCCCl)OC","WWWWJQHYTOSMNM-UHFFFAOYSA-N",395389,NA,"PDBC30004","699925","Present",NA,NA
+"30005","9-((2-Ethoxy-1-(mercaptomethyl)-2-oxoethyl)amino)-9-oxononanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((2-Ethoxy-1-(mercaptomethyl)-2-oxoethyl)amino)-9-oxononanoic acid",NA,"CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)O","HMLOPVWBBMGPLP-UHFFFAOYSA-N",393120,NA,"PDBC30005","694520","Present",NA,NA
+"30006","9-((3-(Diethylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((3-(Diethylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine",NA,"CCN(CC)CCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","YUXSIPUVVAIXPX-UHFFFAOYSA-N",378852,NA,"PDBC30006","662192","Present",NA,NA
+"30007","9-((3-(Diisopropylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((3-(Diisopropylamino)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate",NA,"CC(C)N(CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(C)C.CS(=O)(=O)O","DYVCHPFZWVWSDD-UHFFFAOYSA-N",382867,NA,"PDBC30007","670701","Present",NA,NA
+"30008","9-((3-(Dimethylamino)propyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((3-(Dimethylamino)propyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine",NA,"CN(C)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)[N+](=O)[O-])OC","OVSWVIIGLLDHPD-UHFFFAOYSA-N",384258,NA,"PDBC30008","673804","Present",NA,NA
+"30009","9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((3-(Hexylamino)propyl)amino)-1-(hydroxy(oxido)amino)-7-methoxyacridine",NA,"CCCCCCNCCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","ULFUFZLCZTZFOI-UHFFFAOYSA-N",384248,NA,"PDBC30009","673794","Present",NA,NA
+"30010","9-((3-(Hydroxy(diisopropyl)-lambda~5~-azanyl)propyl)amino)-1-(hydroxy(oxido)amino)acridine methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Met5,Pro6,D-Phe7,D-Trp9,Phe10)-a-MSH (5-13)",NA,"CC(C)[N+](CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])(C(C)C)[O-].CS(=O)(=O)O","WNYBRSMBKFFCBV-UHFFFAOYSA-N",382869,NA,"PDBC30010","670702","Present",NA,NA
+"30011","9-((4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazono)-10-methyl-9,10-dihydroacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazono)-10-methyl-9,10-dihydroacridine",NA,"CN1C2=CC=CC=C2C(=NNC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)C4=CC=CC=C41","DPSMWGHJGBYYMX-UHFFFAOYSA-N",385773,NA,"PDBC30011","677167","Present",NA,NA
+"30012","9-((5-(Dimethylamino)pentyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((5-(Dimethylamino)pentyl)amino)-6-(hydroxy(oxido)amino)-2-methoxyacridine",NA,"CN(C)CCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)[N+](=O)[O-])OC","CWYZOPPELONHCA-UHFFFAOYSA-N",384255,NA,"PDBC30012","673801","Present",NA,NA
+"30013","9-((Allyloxy)methyl)-2-amino-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((Allyloxy)methyl)-2-amino-9H-purin-6-ol",NA,"C=CCOCN1C=NC2=C1N=C(NC2=O)N","WQFPUEKQQCRHDW-UHFFFAOYSA-N",135409086,NA,"PDBC30013","657616","Present",NA,NA
+"30014","9-((Allyloxy)methyl)-9H-purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((Allyloxy)methyl)-9H-purin-6-amine",NA,"C=CCOCN1C=NC2=C(N=CN=C21)N","CTMCPHCABLRODL-UHFFFAOYSA-N",376604,NA,"PDBC30014","657615","Present",NA,NA
+"30015","9-(1,3-Benzodioxol-5-yl)-5a-methoxy-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(1,3-Benzodioxol-5-yl)-3-methoxy-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one",NA,"COC12COC(=O)C1C(C3=CC4=C(C=C3O2)OCO4)C5=CC6=C(C=C5)OCO6","LKMOYPCVIIXXNG-UHFFFAOYSA-N",380098,NA,"PDBC30015","665496","Present",NA,NA
+"30016","9-(1-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(1-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine",NA,"CC(C1=C2C=CC=CC2=NC3=CC=CC=C31)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","HRIGVAWMROYHFD-UHFFFAOYSA-N",363145,NA,"PDBC30016","627729","Present",NA,NA
+"30017","9-(1-Iodo-1-propenyloxymethyl)adenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(1-Iodo-1-propenyloxymethyl)adenine",NA,"C1=NC(=C2C(=N1)N(C=N2)COCC=CI)N","MASBGTDCOLNPIY-OWOJBTEDSA-N",5388188,NA,"PDBC30017","633124","Present",NA,NA
+"30018","9-(1-Methylethoxy)ellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Dimethyl-9-(propan-2-yloxy)-6H-pyrido[4,3-b]carbazole",NA,"CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC(C)C)C","QXCXUBSKGBSIRB-UHFFFAOYSA-N",373615,NA,"PDBC30018","650264","Present",NA,NA
+"30019","9-(1-Phenylethyl)-9H-pyrimido[4,5-b]indol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(1-Phenylethyl)-9H-pyrimido[4,5-b]indol-4-amine",NA,"CC(C1=CC=CC=C1)N2C3=CC=CC=C3C4=C(N=CN=C42)N","MROOOCJVUYFRAZ-UHFFFAOYSA-N",382815,NA,"PDBC30019","670551","Present",NA,NA
+"30020","9-(2,2,2-Trifluoroethoxy)ellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2,2,2-Trifluoroethoxy)ellipticine",NA,"CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OCC(F)(F)F)C","BQPOSOCOOSZGEN-UHFFFAOYSA-N",373607,NA,"PDBC30020","650258","Present",NA,NA
+"30021","9-(2,3-Dihydroxy-3-methylbutoxy)-[1,3]dioxolo[4,5-g]chromen-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2,3-Dihydroxy-3-methyl-butoxy)-[1,3]dioxolo[4,5-g]chromen-6-one",NA,"CC(C)(C(COC1=C2C=CC(=O)OC2=CC3=C1OCO3)O)O","RDPGEFVUMRTSBB-UHFFFAOYSA-N",179597,NA,"PDBC30021","649414","Present",NA,NA
+"30022","9-(2,3-Dihydroxypropyl)adenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purine-9-propanol,6-amino-.alpha.-hydroxy-",NA,"C1=NC(=C2C(=N1)N(C=N2)CC(CO)O)N","GSLQFBVNOFBPRJ-UHFFFAOYSA-N",114769,NA,"PDBC30022","627616","Present",NA,NA
+"30023","9-(2,3-Dimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2,3-Dimethoxyphenyl)-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,"COC1=CC=CC(=C1OC)C2C3C(COC3=O)OC4=CC5=C(C=C24)OCO5","NUCFVLUQYPWOTM-UHFFFAOYSA-N",380101,NA,"PDBC30023","665499","Present",NA,NA
+"30024","9-(2,4-Dimethoxyphenyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2,4-Dimethoxyphenyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide",NA,"CC1(NC2=C(C(=N1)C(=O)N)N=CN2C3=C(C=C(C=C3)OC)OC)C","BFGHUMZECBNGAE-UHFFFAOYSA-N",135409227,NA,"PDBC30024","670261","Present",NA,NA
+"30025","9-(2,4-Dimethoxyphenyl)-5a-methoxy-5a,6,8a,9-tetrahydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,4-Dimethoxyphenyl)-3-methoxy-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),9,11(15)-trien-6-one",NA,"COC1=CC(=C(C=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC)OC","DCTYZTVYCGVAFU-UHFFFAOYSA-N",380093,NA,"PDBC30025","665491","Present",NA,NA
+"30026","9-(2,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,"COC1=CC(=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC","WAQADCCLNSOVFY-UHFFFAOYSA-N",380092,NA,"PDBC30026","665490","Present",NA,NA
+"30027","9-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2,5-Dimethoxyphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinoline-1,3-diamine",NA,"COC1=CC(=C(C=C1)OC)C2CCC3=CN=C4C(=C3C2)C(=NC(=N4)N)N","KSDUJWSZZMWRBN-UHFFFAOYSA-N",402878,NA,"PDBC30027","717168","Present",NA,NA
+"30028","9-(2,6-Dichlorophenyl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2,6-Dichlorophenyl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,"C1=CC(=C(C(=C1)Cl)C2C3C(=O)NC(=O)C2C(=O)NC3=O)Cl","UPXVKOCBDZBEGT-UHFFFAOYSA-N",366979,NA,"PDBC30028","636141","Present",NA,NA
+"30029","9-(2,6-Dimethyltetrahydro[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2,6-Dimethyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxin-4-yl)-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione",NA,"CC1OCC2C(O1)C(OC(O2)C)C3C4=C(CC(CC4=O)(C)C)OC5=C3C(=O)CC(C5)(C)C","NUIBXLWXNAKBGU-UHFFFAOYSA-N",343790,NA,"PDBC30029","400290","Present",NA,NA
+"30030","9-(2-(2-(1-Piperidinyl)ethoxy)ethyl)-2,3,4,9-tetrahydro-1H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-(2-(1-Piperidinyl)ethoxy)ethyl)-2,3,4,9-tetrahydro-1H-carbazole",NA,"C1CCN(CC1)CCOCCN2C3=C(CCCC3)C4=CC=CC=C42","LUHVHGMEYBCDJD-UHFFFAOYSA-N",382633,NA,"PDBC30030","670274","Present",NA,NA
+"30031","9-(2-(3-(1-Piperidinyl)propoxy)ethyl)-2,3,4,9-tetrahydro-1H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-(3-(1-Piperidinyl)propoxy)ethyl)-2,3,4,9-tetrahydro-1H-carbazole",NA,"C1CCN(CC1)CCCOCCN2C3=C(CCCC3)C4=CC=CC=C42","LCLDMRYPYSSXSY-UHFFFAOYSA-N",383807,NA,"PDBC30031","672343","Present",NA,NA
+"30032","9-(2-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)C","RLASFVDLAOZBDZ-UHFFFAOYSA-N",385789,NA,"PDBC30032","677183","Present",NA,NA
+"30033","9-(2-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-((2-pyrimidinylamino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC=CC=N7)C","VIWHMVITZOPMDO-UHFFFAOYSA-N",385784,NA,"PDBC30033","677178","Present",NA,NA
+"30034","9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)ethyl)acridine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CCNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","ZXWHDFAFFXJNMK-UHFFFAOYSA-N",363144,NA,"PDBC30034","627728","Present",NA,NA
+"30035","9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-[4-(Diaminomethylideneamino)sulfonylphenyl]hydrazinyl]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NNC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","XQONOXGATBVWSD-UHFFFAOYSA-N",385785,NA,"PDBC30035","677179","Present",NA,NA
+"30036","9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-[4-(Diaminomethylideneamino)sulfonylphenyl]hydrazinyl]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NNC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","BTTGSRJMRZIDSQ-UHFFFAOYSA-N",385791,NA,"PDBC30036","677185","Present",NA,NA
+"30037","9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-((2-pyrimidinylamino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-[4-(Diaminomethylideneamino)sulfonylphenyl]hydrazinyl]-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)NNC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","YWHZCASGHYKIOY-UHFFFAOYSA-N",385783,NA,"PDBC30037","677177","Present",NA,NA
+"30038","9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-N-(4-(aminosulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-[4-(Carbamimidoylsulfamoyl)phenyl]hydrazino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NNC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","SMJMGMGHNLLSHD-UHFFFAOYSA-N",385790,NA,"PDBC30038","677184","Present",NA,NA
+"30039","9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)acridine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","HJAFBKVABNXWAN-UHFFFAOYSA-N",385775,NA,"PDBC30039","677169","Present",NA,NA
+"30040","9-(2-(4-(Aminosulfonyl)phenyl)hydrazino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-9-[2-(4-sulfamoylphenyl)hydrazinyl]acridine-4-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NNC6=CC=C(C=C6)S(=O)(=O)N","IOIDEIFFFOHQLF-UHFFFAOYSA-N",385788,NA,"PDBC30040","677182","Present",NA,NA
+"30041","9-(2-(4-(Aminosulfonyl)phenyl)hydrazino)-N-(4-((2-pyrimidinylamino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]-9-[2-(4-sulfamoylphenyl)hydrazinyl]acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)NNC6=CC=C(C=C6)S(=O)(=O)N","RDLRTYNDVNFVKL-UHFFFAOYSA-N",385782,NA,"PDBC30041","677176","Present",NA,NA
+"30042","9-(2-(4-Morpholinyl)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-(4-Morpholinyl)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole",NA,"C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)N4CCOCC4","AXHVOCPBYFMHNJ-UHFFFAOYSA-N",381588,NA,"PDBC30042","668379","Present",NA,NA
+"30043","9-(2-(Diamylamino)-1-hydroxyethyl)-1,2,3,4-tetrahydrophenanthrene hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC11883///NSC62485",NA,"CCCCCN(CCCCC)CC(C1=CC2=C(CCCC2)C3=CC=CC=C31)O.Cl","VVKWWYCDQUVEIJ-UHFFFAOYSA-N",24181846,NA,"PDBC30043","11883///62485","Present",NA,NA
+"30044","9-(2-(Hydroxy(oxido)amino)-4,5-dimethoxyphenyl)-10-(4-methylphenyl)-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4,5-Dimethoxy-2-nitro-phenyl)-10-(p-tolyl)-3,4,5,6,7,9-hexahydro-2H-acridine-1,8-dione",NA,"CC1=CC=C(C=C1)N2C3=C(C(C4=C2CCCC4=O)C5=CC(=C(C=C5[N+](=O)[O-])OC)OC)C(=O)CCC3","FYWWWZZORSDQBV-UHFFFAOYSA-N",379948,NA,"PDBC30044","665140","Present",NA,NA
+"30045","9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Amino-2-deoxy-d-xylofuranosyl) adenine",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)N)N","CQKMBZHLOYVGHW-UHFFFAOYSA-N",100053,NA,"PDBC30045","121182","Present",NA,NA
+"30046","9-(2-Bromoethoxymethyl)-2-(4-butylanilino)purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Bromoethoxymethyl)-2-(4-butylanilino)purin-6-ol",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3COCCBr","QFVOXZXUCHZUHJ-UHFFFAOYSA-N",135438225,NA,"PDBC30046","681691","Present",NA,NA
+"30047","9-(2-Chloroethoxymethyl)-1,3-diphenyl-2-thioxo-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Chloroethoxymethyl)-1,3-diphenyl-2-thioxo-purin-6-one",NA,"C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4)N=CN3COCCCl","SRCXQJRCOMPWFL-UHFFFAOYSA-N",387936,NA,"PDBC30047","682241","Present",NA,NA
+"30048","9-(2-Chloroethyl)-1,3-bis(2-methylphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Chloroethyl)-1,3-bis(2-methylphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",NA,"CC1=CC=CC=C1N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4C)N=CN3CCCl","PTLVJVYBRPUEKZ-UHFFFAOYSA-N",390381,NA,"PDBC30048","687723","Present",NA,NA
+"30049","9-(2-Chloroethyl)-1,3-diphenyl-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Chloroethyl)-1,3-diphenyl-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",NA,"C1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=CC=C4)N=CN3CCCl","HIGJKCTWIOBONR-UHFFFAOYSA-N",387935,NA,"PDBC30049","682240","Present",NA,NA
+"30050","9-(2-Chloroethylsulfanyl)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-((2-Chloroethyl)thio)acridine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SCCCl","BWGAICSQKUMIJL-UHFFFAOYSA-N",395387,NA,"PDBC30050","699923","Present",NA,NA
+"30051","9-(2-Chloroethylsulfinyl)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Chloroethylsulfinyl)acridine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)S(=O)CCCl","SWDGVAWVKVTANO-UHFFFAOYSA-N",395388,NA,"PDBC30051","699924","Present",NA,NA
+"30052","9-(2-Chlorophenyl)-3,3,7,7-tetramethyl-2,3,4,7,8,9-hexahydro-1H-xanthene-1,5(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Chlorophenyl)-3,3,7,7-tetramethyl-2,3,4,7,8,9-hexahydro-1H-xanthene-1,5(6H)-dione",NA,"CC1(CC2=C(C(=O)C1)OC3=C(C2C4=CC=CC=C4Cl)C(=O)CC(C3)(C)C)C","VNMFPHPGMWWBLM-UHFFFAOYSA-N",379637,NA,"PDBC30052","664345","Present",NA,NA
+"30053","9-(2-Chlorophenyl)-4a-hydroxy-3,3,7,7-tetramethyl-2,3,4,4a,7,8,9,9a-octahydro-1H-xanthene-1,5(6H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Chlorophenyl)-4a-hydroxy-3,3,7,7-tetramethyl-2,4,6,8,9,9a-hexahydroxanthene-1,5-dione",NA,"CC1(CC2=C(C(=O)C1)OC3(CC(CC(=O)C3C2C4=CC=CC=C4Cl)(C)C)O)C","UKZIJXQQAJBULQ-UHFFFAOYSA-N",379634,NA,"PDBC30053","664342","Present",NA,NA
+"30054","9-(2-Deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Deoxypentofuranosyl)-6-methoxy-9h-purin-2-amine",NA,"COC1=NC(=NC2=C1N=CN2C3CC(C(O3)CO)O)N","BCKDNMPYCIOBTA-UHFFFAOYSA-N",264742,NA,"PDBC30054","100044","Present",NA,NA
+"30055","9-(2-Fluorophenyl)-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Fluorophenyl)-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one",NA,"CC(C)OC1=C(C2=C3C(=C1OC(C)C)OC(=O)N3C=CC2C4=CC=CC=C4F)O","PQOBOLQAGIWBNQ-UHFFFAOYSA-N",389258,NA,"PDBC30055","685011","Present",NA,NA
+"30056","9-(2-Furylmethyl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Furylmethyl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,"C1=COC(=C1)CC2C3C(=O)NC(=O)C2C(=O)NC3=O","NECFSMQHZCSXBM-UHFFFAOYSA-N",367033,NA,"PDBC30056","636361","Present",NA,NA
+"30057","9-(2-Furylmethyl)-9H-purine-6-thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Furylmethyl)-9H-purine-6-thiol",NA,"C1=COC(=C1)CN2C=NC3=C2NC=NC3=S","XPKNCYCTWFVAJB-UHFFFAOYSA-N",3246290,NA,"PDBC30057","78043","Present",NA,NA
+"30058","9-(2-Hydroxyethyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Hydroxyethyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide",NA,"CC1(NC2=C(C(=N1)C(=O)N)N=CN2CCO)C","HARATEPERDPBSC-UHFFFAOYSA-N",135409225,NA,"PDBC30058","670257","Present",NA,NA
+"30059","9-(2-Hydroxyethyl)-2-methyl-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Hydroxyethyl)-2-methyl-9H-purin-6-ol",NA,"CC1=NC2=C(C(=O)N1)N=CN2CCO","HFWZZPMDKGQWEU-UHFFFAOYSA-N",135409230,NA,"PDBC30059","670265","Present",NA,NA
+"30060","9-(2-Methoxyphenyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Methoxyphenyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide",NA,"CC1(NC2=C(C(=N1)C(=O)N)N=CN2C3=CC=CC=C3OC)C","ZRJGYCGZBNNWJC-UHFFFAOYSA-N",135409226,NA,"PDBC30060","670260","Present",NA,NA
+"30061","9-(2-Methoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Methoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,"COC1=CC=CC=C1C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4","DRENTJWEDIMNIA-UHFFFAOYSA-N",380089,NA,"PDBC30061","665487","Present",NA,NA
+"30062","9-(2-Methylpropyl)-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Methylpropyl)-6-(pyridin-2-ylmethylsulfanyl)purin-2-amine",NA,"CC(C)CN1C=NC2=C1N=C(N=C2SCC3=CC=CC=N3)N","LXDUJBPGPHPPDF-UHFFFAOYSA-N",243159,NA,"PDBC30062","52445","Present",NA,NA
+"30063","9-(2-Oxo-2-(1-piperidinyl)ethyl)-2,3,4,9-tetrahydro-1H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Oxo-2-(1-piperidinyl)ethyl)-2,3,4,9-tetrahydro-1H-carbazole",NA,"C1CCN(CC1)C(=O)CN2C3=C(CCCC3)C4=CC=CC=C42","BYMMVAHESBOFIP-UHFFFAOYSA-N",381587,NA,"PDBC30063","668378","Present",NA,NA
+"30064","9-(2-Oxo-2-(1-pyrrolidinyl)ethyl)-2,3,4,9-tetrahydro-1H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Oxo-2-(1-pyrrolidinyl)ethyl)-2,3,4,9-tetrahydro-1H-carbazole",NA,"C1CCC2=C(C1)C3=CC=CC=C3N2CC(=O)N4CCCC4","ARHRUEXPRKGAQS-UHFFFAOYSA-N",381586,NA,"PDBC30064","668377","Present",NA,NA
+"30065","9-(2-Phenylsulfanylethyl)-1,4-dioxaspiro[4.5]decan-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(2-Phenylsulfanylethyl)-1,4-dioxaspiro[4.5]decan-8-one",NA,"C1CC2(CC(C1=O)CCSC3=CC=CC=C3)OCCO2","HAUZBNPTOCRVHI-UHFFFAOYSA-N",394586,NA,"PDBC30065","698166","Present",NA,NA
+"30066","9-(3,4-Dichlorophenyl)purine-2,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(3,4-Dichlorophenyl)purine-2,6-diamine;hydrochloride",NA,"C1=CC(=C(C=C1N2C=NC3=C(N=C(N=C32)N)N)Cl)Cl.Cl","YHXVFDYWHYTVMN-UHFFFAOYSA-N",24183689,NA,"PDBC30066","29604","Present",NA,NA
+"30067","9-(3,4-Dimethoxyphenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[3',4':5,6]pyrano[2,3-f]-1,3-benzodioxol-8-one, 6,9-...",NA,"COC1=C(C=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC","BXXNCWIVUYZMST-UHFFFAOYSA-N",380099,NA,"PDBC30067","665497","Present",NA,NA
+"30068","9-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(3,5-Di-tert-butyl-4-hydroxyphenyl)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,6-dione",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2COC(=O)COCC(=O)OCCOCCOCCO2","YDAOTZCTPZHSTI-UHFFFAOYSA-N",386884,NA,"PDBC30068","679742","Present",NA,NA
+"30069","9-(3,7-Bis((dimethylamino)methyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(3,4-dichlorophenyl)-2,7-bis((dimethylamino)methyl)-3,...",NA,"CN(C)CC1CCC2=C(C1=O)C(C3=C(O2)CCC(C3=O)CN(C)C)C4=CC(=C(C=C4)Cl)Cl.Br","QOESRCUFUKREEE-UHFFFAOYSA-N",15940307,NA,"PDBC30069","371488","Present",NA,NA
+"30070","9-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-1,4-dioxaspiro[4.6]undec-6-en-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(3-(2-Methyl-1,3-dioxolan-2-yl)phenyl)-1,4-dioxaspiro[4.6]undec-6-en-8-one",NA,"CC1(OCCO1)C2=CC=CC(=C2)C3CCC4(C=CC3=O)OCCO4","SEBJLTAXUNJIRE-UHFFFAOYSA-N",375526,NA,"PDBC30070","655305","Present",NA,NA
+"30071","9-(3-Aminophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(3-Aminophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,"CC1(C2C(=O)NC(=O)C1C(=O)NC2=O)C3=CC(=CC=C3)N","JITLZANUDWJYKG-UHFFFAOYSA-N",367023,NA,"PDBC30071","636350","Present",NA,NA
+"30072","9-(3-Bromopropyl)-14-methoxy-5-nitro-9,12-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Aza-5, 6-dihydro-6-(3-bromopropyl)-9-methoxy-3-nitro-5...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)N=C1","RJMPNBLDKMGHPA-UHFFFAOYSA-N",135163962,NA,"PDBC30072","783073","Present",NA,NA
+"30073","9-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(3-Chloro-2-hydroxy-propyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C=CC(=O)N(C3=N2)CC(CCl)O","XXLDTBWDIIEBQW-UHFFFAOYSA-N",392199,NA,"PDBC30073","692332","Present",NA,NA
+"30074","9-(3-Chloropropyl)-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(3-Chloropropyl)-1,3-dimethyl-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3CCC(=O)N(C3=N2)CCCCl","GUNRMVPQZSJDRF-UHFFFAOYSA-N",392200,NA,"PDBC30074","692333","Present",NA,NA
+"30075","9-(3-Chloropropyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(3-Chloropropyl)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C=CC(=O)N(C3=N2)CCCCl","HLJPKYFYJQUHNJ-UHFFFAOYSA-N",392198,NA,"PDBC30075","692331","Present",NA,NA
+"30076","9-(3-Dimethylaminopropyl)-2-trifluoromethylxanthene, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC170992",NA,"CN(C)CCCC1C2=CC=CC=C2OC3=C1C=C(C=C3)C(F)(F)F.Cl","YUUZQGNAFQIHQL-UHFFFAOYSA-N",6432192,NA,"PDBC30076","170992","Present",NA,NA
+"30077","9-(3-Hydroxypropyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(3-Hydroxypropyl)-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide",NA,"CC1(NC2=C(C(=N1)C(=O)N)N=CN2CCCO)C","VLWIAMPUZMNPDR-UHFFFAOYSA-N",135406376,NA,"PDBC30077","670258","Present",NA,NA
+"30078","9-(4,5-Bis(4-methylphenoxy)tetrahydro-2-furanyl)-2-bromo-9H-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4,5-Bis(4-methylphenoxy)tetrahydro-2-furanyl)-2-bromo-9H-purin-6-ol",NA,"CC1=CC=C(C=C1)OC2CC(OC2OC3=CC=C(C=C3)C)N4C=NC5=C4N=C(NC5=O)Br","DKZYPYLJPMBYPP-UHFFFAOYSA-N",135489817,NA,"PDBC30078","680821","Present",NA,NA
+"30079","9-(4-(((3,4-Dimethyl-5-isoxazolyl)amino)sulfonyl)anilino)-N-(4-(((3,4-dimethyl-5-isoxazolyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(3,4-Dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]acridine-2-carboxamide",NA,"CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=C(C(=NO7)C)C","YULHHXLYDFKUPV-UHFFFAOYSA-N",385752,NA,"PDBC30079","677146","Present",NA,NA
+"30080","9-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-N-(2-hydroxy-1,1-bis(hydroxymethyl)ethyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC(CO)(CO)CO)C","GQHFXCLQGQUMNO-UHFFFAOYSA-N",384531,NA,"PDBC30080","674502","Present",NA,NA
+"30081","9-(4-(((5-Methyl-3-isoxazolyl)amino)sulfonyl)anilino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-2-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C","BOKFOSCRZVJNCJ-UHFFFAOYSA-N",385751,NA,"PDBC30081","677145","Present",NA,NA
+"30082","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-1-chloro-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C4=C(C5=CC=CC=C5N=C34)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl)C","OCSVZQMFMSYECI-UHFFFAOYSA-N",365421,NA,"PDBC30082","633041","Present",NA,NA
+"30083","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-4-((2-(2-hydroxyethyl)hydrazino)carbonyl)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-4-((2-(2-hydroxyethyl)hydrazino)carbonyl)acridine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NNCCO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","IXIOOYYWQYTRQN-UHFFFAOYSA-N",384538,NA,"PDBC30083","674509","Present",NA,NA
+"30084","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-6-chloro-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-9-[4-(diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3N=C5C=C(C=CC5=C4NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl)C","HIPRVNZZYDXAJO-UHFFFAOYSA-N",365428,NA,"PDBC30084","633048","Present",NA,NA
+"30085","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(2-hydroxyethyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(2-hydroxyethyl)-4-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","AUTMXMFUXGDCLM-UHFFFAOYSA-N",384528,NA,"PDBC30085","674499","Present",NA,NA
+"30086","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C5=CC=CC=C5N=C4C=C3)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","PDAQRSMJUPZFQQ-UHFFFAOYSA-N",385759,NA,"PDBC30086","677153","Present",NA,NA
+"30087","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","PPFMQWPCXRGGBI-UHFFFAOYSA-N",365413,NA,"PDBC30087","633033","Present",NA,NA
+"30088","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acridine-2-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C5=CC=CC=C5N=C4C=C3)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","YUOBYFORPDHBTG-UHFFFAOYSA-N",385761,NA,"PDBC30088","677155","Present",NA,NA
+"30089","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-2-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","MJRGSCANZGBDIF-UHFFFAOYSA-N",385748,NA,"PDBC30089","677142","Present",NA,NA
+"30090","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-1-chloro-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-(Carbamimidoylsulfamoyl)anilino]-1-chloro-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C(=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)Cl)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","SJHQBDNGNBBBJR-UHFFFAOYSA-N",365418,NA,"PDBC30090","633038","Present",NA,NA
+"30091","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-2-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","WLGZCMOKZFERQM-UHFFFAOYSA-N",385753,NA,"PDBC30091","677147","Present",NA,NA
+"30092","9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-(((Amino(imino)methyl)amino)sulfonyl)anilino)-N-(4-(aminosulfonyl)phenyl)-4-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","BIFKEVBDXHVADK-UHFFFAOYSA-N",365406,NA,"PDBC30092","633026","Present",NA,NA
+"30093","9-(4-((5-Bromopentyl)oxy)phenyl)-10-(4-methoxyphenyl)anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-((5-Bromopentyl)oxy)phenyl)-10-(4-methoxyphenyl)anthracene",NA,"COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OCCCCCBr","QSCMRUNAFBXNIL-UHFFFAOYSA-N",374569,NA,"PDBC30093","652543","Present",NA,NA
+"30094","9-(4-(2-Bromoethoxy)phenyl)-10-(4-methoxyphenyl)anthracene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-(2-Bromoethoxy)phenyl)-10-(4-methoxyphenyl)anthracene",NA,"COC1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)C5=CC=C(C=C5)OCCBr","AVSKNWGVQREKEE-UHFFFAOYSA-N",378370,NA,"PDBC30094","660667","Present",NA,NA
+"30095","9-(4-(4-(10-(4-(4-(3,6-Dimethoxy-9H-carbazol-9-yl)butoxy)phenyl)-9-anthryl)phenoxy)butyl)-3,6-dimethoxy-9H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[4-[10-[4-[4-(3,6-Dimethoxycarbazol-9-yl)butoxy]phenyl]anthracen-9-yl]phenoxy]butyl]-3,6-dimethoxycarbazole",NA,"COC1=CC2=C(C=C1)N(C3=C2C=C(C=C3)OC)CCCCOC4=CC=C(C=C4)C5=C6C=CC=CC6=C(C7=CC=CC=C75)C8=CC=C(C=C8)OCCCCN9C1=C(C=C(C=C1)OC)C1=C9C=CC(=C1)OC","BQKSCNPRXDASGM-UHFFFAOYSA-N",374568,NA,"PDBC30095","652542","Present",NA,NA
+"30096","9-(4-(Aminosulfonyl)anilino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C5=CC=CC=C5N=C4C=C3)NC6=CC=C(C=C6)S(=O)(=O)N","IVKVIEQVZQOCLW-UHFFFAOYSA-N",385760,NA,"PDBC30096","677154","Present",NA,NA
+"30097","9-(4-(Aminosulfonyl)anilino)-N-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)N","RZOHJTYKWBUDOY-UHFFFAOYSA-N",365415,NA,"PDBC30097","633035","Present",NA,NA
+"30098","9-(4-Bromophenyl)purine-2,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Bromophenyl)purine-2,6-diamine;hydrochloride",NA,"C1=CC(=CC=C1N2C=NC3=C(N=C(N=C32)N)N)Br.Cl","UTDQMERSPVSDJZ-UHFFFAOYSA-N",54605405,NA,"PDBC30098","29605","Present",NA,NA
+"30099","9-(4-Chlorobut-2-ynyl)-6-(4-chlorobut-2-ynylsulfanyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Chlorobut-2-ynyl)-6-(4-chlorobut-2-ynylsulfanyl)purine",NA,"C1=NC2=C(C(=N1)SCC#CCCl)N=CN2CC#CCCl","BWKIPEGMFQYVQT-UHFFFAOYSA-N",60147763,NA,"PDBC30099","752369","Present",NA,NA
+"30100","9-(4-Chlorobut-2-ynyl)-6-(4-methoxyphenyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Chlorobut-2-ynyl)-6-(4-methoxyphenyl)purine",NA,"COC1=CC=C(C=C1)C2=C3C(=NC=N2)N(C=N3)CC#CCCl","UMNKXKCAWASYHL-UHFFFAOYSA-N",60147614,NA,"PDBC30100","751821","Present",NA,NA
+"30101","9-(4-Chlorophenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Chlorophenyl)-6,9-dihydro-8H-[1,3]dioxolo[4,5-g]furo[3,4-b]chromen-8-one",NA,"C1C2=C(C(C3=CC4=C(C=C3O2)OCO4)C5=CC=C(C=C5)Cl)C(=O)O1","KHHRSFKKJMBBNW-UHFFFAOYSA-N",380100,NA,"PDBC30101","665498","Present",NA,NA
+"30102","9-(4-Chlorophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Chlorophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,"CC1(C2C(=O)NC(=O)C1C(=O)NC2=O)C3=CC=C(C=C3)Cl","ASNBHZVKTBAQKW-UHFFFAOYSA-N",367021,NA,"PDBC30102","636348","Present",NA,NA
+"30103","9-(4-Chlorophenyl)-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Chlorophenyl)-9-phenyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,"C1=CC=C(C=C1)C2(C3C(=O)NC(=O)C2C(=O)NC3=O)C4=CC=C(C=C4)Cl","KZAFXXHMYFABJN-UHFFFAOYSA-N",367022,NA,"PDBC30103","636349","Present",NA,NA
+"30104","9-(4-Chlorophenyl)purine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Chlorophenyl)-9H-purine-2,6-diamine",NA,"C1=CC(=CC=C1N2C=NC3=C(N=C(N=C32)N)N)Cl","XLDQBXDLTBHNAY-UHFFFAOYSA-N",231429,NA,"PDBC30104","27612","Present",NA,NA
+"30105","9-(4-Fluorophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Fluorophenyl)-9-methyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,"CC1(C2C(=O)NC(=O)C1C(=O)NC2=O)C3=CC=C(C=C3)F","SSTNYNLSWGLCDP-UHFFFAOYSA-N",367030,NA,"PDBC30105","636357","Present",NA,NA
+"30106","9-(4-Hydroxy-3,9-dihydro-[1,3]dioxolo[4,5-g]furo[3,4-b]quinolin-8(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-hydroxy-3,5-dimethoxyphenyl)-5-(2-hydroxyethyl)-6,9...",NA,"COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCO4","KDRFYSQQLRPTPP-UHFFFAOYSA-N",50900821,NA,"PDBC30106","750718","Present",NA,NA
+"30107","9-(4-Hydroxybutyl)-3H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Hydroxybutyl)-9H-purin-6-ol",NA,"C1=NC2=C(C(=O)N1)N=CN2CCCCO","BZOSXNLDTQTFOK-UHFFFAOYSA-N",135484983,NA,"PDBC30107","627015","Present",NA,NA
+"30108","9-(4-Methoxyphenyl)-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Methoxyphenyl)-10-phenyl-3,4,6,7,9,10-hexahydro-1,8(2H,5H)-acridinedione",NA,"COC1=CC=C(C=C1)C2C3=C(CCCC3=O)N(C4=C2C(=O)CCC4)C5=CC=CC=C5","QUGPGSDNZKWXSX-UHFFFAOYSA-N",379947,NA,"PDBC30108","665139","Present",NA,NA
+"30109","9-(4-Methoxyphenyl)-9h-purine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Methoxyphenyl)-9h-purine-2,6-diamine",NA,"COC1=CC=C(C=C1)N2C=NC3=C(N=C(N=C32)N)N","QJNZHIBMALXZSJ-UHFFFAOYSA-N",240288,NA,"PDBC30109","46387","Present",NA,NA
+"30110","9-(4-Methylphenyl)purine-2,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Methylphenyl)purine-2,6-diamine;hydrochloride",NA,"CC1=CC=C(C=C1)N2C=NC3=C(N=C(N=C32)N)N.Cl","GEAUWFXFIRNXAI-UHFFFAOYSA-N",54601764,NA,"PDBC30110","29606","Present",NA,NA
+"30111","9-(4-Nitrophenyl)sulfanylacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Nitrophenyl)sulfanylacridine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CC=C(C=C4)[N+](=O)[O-]","DFPBXHGVDBKLNF-UHFFFAOYSA-N",371140,NA,"PDBC30111","645144","Present",NA,NA
+"30112","9-(4-Sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-2-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NC5=CC=C(C=C5)S(=O)(=O)N","MRGRKYHXSXVBND-UHFFFAOYSA-N",385747,NA,"PDBC30112","677141","Present",NA,NA
+"30113","9-(4-Sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(4-Sulfamoylanilino)-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NC5=CC=C(C=C5)S(=O)(=O)N","ZWGXALUMXHXYSP-UHFFFAOYSA-N",365396,NA,"PDBC30113","633016","Present",NA,NA
+"30114","9-(5-Nitropyridin-2-yl)purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-9-(5'-nitropyridine)-9H-purine",NA,"C1=CC(=NC=C1[N+](=O)[O-])N2C=NC3=C(N=CN=C32)N","JFQVQOLUJMTUKK-UHFFFAOYSA-N",389378,NA,"PDBC30114","685425","Present",NA,NA
+"30115","9-(5-o-Sulfamoylpentofuranosyl)-9h-purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ea 68",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N","GNZLUJQJDPRUTD-UHFFFAOYSA-N",280895,NA,"PDBC30115","133114","Present",NA,NA
+"30116","9-(6-Methoxy-3,4-dihydroquinolin-1(2h)-yl)acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(6-Methoxy-3,4-dihydro-2H-quinolin-1-yl)acridine",NA,"COC1=CC2=C(C=C1)N(CCC2)C3=C4C=CC=CC4=NC5=CC=CC=C53","UHMXXWDGLRSYLJ-UHFFFAOYSA-N",221375,NA,"PDBC30116","5908","Present",NA,NA
+"30117","9-(9-Formylfluoren-9-yl)fluorene-9-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Raptinal;NSC 610970",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C2(C=O)C4(C5=CC=CC=C5C6=CC=CC=C64)C=O","GLANOOJJBKXTMI-UHFFFAOYSA-N",355994,NA,"PDBC30117","610970","Present",NA,NA
+"30118","9-(9H-Carbazol-9-ylmethyl)-9H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK747391",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3N2CN4C5=CC=CC=C5C6=CC=CC=C64","ZHENGQSAYATKAZ-UHFFFAOYSA-N",231656,NA,"PDBC30118","28136","Present",NA,NA
+"30119","9-(Benzylcarbamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Benzylcarbamoyloxy)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)NCC6=CC=CC=C6)C)C(=O)O","IETQHIUZYMGENT-UHFFFAOYSA-N",54613426,NA,"PDBC30119","750325","Present",NA,NA
+"30120","9-(Benzyloxy)-5-tert-butyl-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-methoxyphenyl)-16-phenylmethoxy-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OCC6=CC=CC=C6)C(=O)N(C3=O)C7=CC=C(C=C7)OC","RIFJIGLRAGKKQV-UHFFFAOYSA-N",379246,NA,"PDBC30120","663660","Present",NA,NA
+"30121","9-(Benzyloxycarbonyloxymethyl)-6-(3-bromopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Benzyloxycarbonyloxymethyl)-6-(3-bromopropyl)-5,6-dih...",NA,"COC(=O)OCC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr","SJQJMQBUXDMDLU-UHFFFAOYSA-N",17755968,NA,"PDBC30121","737345","Present",NA,NA
+"30122","9-(Benzylsulfinyl)-2,7-dimethoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Benzylsulfinyl)-2,7-dimethoxyacridine",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2S(=O)CC4=CC=CC=C4)OC","MSLAKSKHMJRNRM-UHFFFAOYSA-N",395397,NA,"PDBC30122","699933","Present",NA,NA
+"30123","9-(Benzylthio)-2,7-dimethoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Benzylthio)-2,7-dimethoxyacridine",NA,"COC1=CC2=C(C=C1)N=C3C=CC(=CC3=C2SCC4=CC=CC=C4)OC","XFBACNNHZDSCFW-UHFFFAOYSA-N",395396,NA,"PDBC30123","699932","Present",NA,NA
+"30124","9-(Cyclohexylmethyl)-3,6-bis(4,5-dihydro-1H-imidazol-2-yl)carbazole;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Cyclohexylmethyl)-3,6-bis(4,5-dihydro-1H-imidazol-2-yl)carbazole;hydrochloride",NA,"C1CCC(CC1)CN2C3=C(C=C(C=C3)C4=NCCN4)C5=C2C=CC(=C5)C6=NCCN6.Cl","WAKBJUSDGJBABU-UHFFFAOYSA-N",401967,NA,"PDBC30124","715654","Present",NA,NA
+"30125","9-(Dimethylamino)-11-hydroxy-4-methoxy-12-oxo-12H-benzo[b]xanthen-6-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Dimethylamino)-11-hydroxy-4-methoxy-12-oxo-12H-benzo[b]xanthen-6-yl acetate",NA,"CC(=O)OC1=C2C(=C(C3=C1C=CC(=C3)N(C)C)O)C(=O)C4=C(O2)C(=CC=C4)OC","AJFPTLNCOCUJNV-UHFFFAOYSA-N",389283,NA,"PDBC30125","685036","Present",NA,NA
+"30126","9-(Ethylsulfinyl)-2,7-dimethoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethylsulfinyl-2,7-dimethoxy-acridine",NA,"CCS(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC","FNWQSNYSPZQNSF-UHFFFAOYSA-N",395385,NA,"PDBC30126","699921","Present",NA,NA
+"30127","9-(Ethylsulfonyl)-2,7-dimethoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Ethylsulfonyl)-2,7-dimethoxyacridine",NA,"CCS(=O)(=O)C1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC","BPXOLXOWKUYYPP-UHFFFAOYSA-N",395386,NA,"PDBC30127","699922","Present",NA,NA
+"30128","9-(Ethylthio)-1,4-dimethoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Ethylthio)-1,4-dimethoxyacridine",NA,"CCSC1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)OC","JMZRMPLYFBAQHM-UHFFFAOYSA-N",362327,NA,"PDBC30128","625986","Present",NA,NA
+"30129","9-(Ethylthio)-2,7-dimethoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BG-757",NA,"CCSC1=C2C=C(C=CC2=NC3=C1C=C(C=C3)OC)OC","PLLQIVPARRRCRU-UHFFFAOYSA-N",395384,NA,"PDBC30129","699920","Present",NA,NA
+"30130","9-(Methoxymethyl)-1,3-bis(4-methoxyphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Methoxymethyl)-1,3-bis(4-methoxyphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",NA,"COCN1C=NC2=C1N(C(=S)N(C2=O)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","VAXLPMOXACIEMO-UHFFFAOYSA-N",390384,NA,"PDBC30130","687726","Present",NA,NA
+"30131","9-(Methoxymethyl)-1,3-bis(4-methylphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Methoxymethyl)-1,3-bis(4-methylphenyl)-2-thioxo-1,2,3,9-tetrahydro-6H-purin-6-one",NA,"CC1=CC=C(C=C1)N2C3=C(C(=O)N(C2=S)C4=CC=C(C=C4)C)N=CN3COC","YZJYCHWTOZCYCC-UHFFFAOYSA-N",387934,NA,"PDBC30131","682239","Present",NA,NA
+"30132","9-(Methoxymethyl)-2-methylsulfanyl-3-phenyl-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Methoxymethyl)-2-methylsulfanyl-3-phenyl-purin-6-one",NA,"COCN1C=NC2=C1N(C(=NC2=O)SC)C3=CC=CC=C3","ZHPPJIINAFOBOK-UHFFFAOYSA-N",387939,NA,"PDBC30132","682244","Present",NA,NA
+"30133","9-(Nitromethylene)fluorene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Nitromethylidene)-9H-fluorene",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C2=C[N+](=O)[O-]","SXLZNMGEYGLGRR-UHFFFAOYSA-N",363699,NA,"PDBC30133","628814","Present",NA,NA
+"30134","9-(Phenylimino)-2-tert-butylnaphth[2,3-d]oxazol-4(9H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphth[2,3-d]oxazol-4(9H)-one, 2-(1,1-dimethylethyl)-9- ...",NA,"CC(C)(C)C1=NC2=C(O1)C(=NC3=CC=CC=C3)C4=CC=CC=C4C2=O","WLZDWLLUVZVUBY-UHFFFAOYSA-N",362344,NA,"PDBC30134","626029","Present",NA,NA
+"30135","9-(Propargyloxymethyl) azathoprine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(Propargyloxymethyl) azathoprine",NA,"CN1C=NC(=C1SC2=NC=NC3=C2N=CN3COCC#C)[N+](=O)[O-]","VCISZBHTRAJTOY-UHFFFAOYSA-N",365727,NA,"PDBC30135","633668","Present",NA,NA
+"30136","9-(p-Tolylsulfonylmethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-(p-Tolylsulfonylmethyl)-6,7,8,9-tetrahydropyrido[1,2-a]indole-10-carbonitrile",NA,"CC1=CC=C(C=C1)S(=O)(=O)CC2CCCN3C2=C(C4=CC=CC=C43)C#N","MNXFDFQQUUEEGI-UHFFFAOYSA-N",390161,NA,"PDBC30136","687306","Present",NA,NA
+"30137","9-.alpha.-Hydroxyparthenolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-.alpha.-Hydroxyparthenolide",NA,"CC1=CCCC2(C(O2)C3C(CC1O)C(=C)C(=O)O3)C","RZUCCKARTVHQBW-QGFFFSIYSA-N",54600951,NA,"PDBC30137","672136","Present",NA,NA
+"30138","9-Acetamido-10-hydroxy-20-(S)-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acetamido-10-hydroxy-20-(S)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5NC(=O)C)O)N=C4C3=C2)O","BGTVYLPIJYUNCW-QFIPXVFZSA-N",44315616,NA,"PDBC30138","603077","Present",NA,NA
+"30139","9-Acetamido-6-(3-azidopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acetamido-6-(3-azidopropyl)-5,6-dihydro-3-nitro-5,11-d...",NA,"CC(=O)NC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCN=[N+]=[N-])OC)OC","PTZOHAPUGXKWTQ-UHFFFAOYSA-N",17755319,NA,"PDBC30139","737670","Present",NA,NA
+"30140","9-Acetamido-6-(3-bromopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acetamido-6-(3-bromopropyl)-5,6-dihydro-3-nitro-5,11-d...",NA,"CC(=O)NC1=CC2=C(C=C1)C3=C(C2=O)C4=CC(=C(C=C4C(=O)N3CCCBr)OC)OC","OXZQMVSSOIXHLM-UHFFFAOYSA-N",17755222,NA,"PDBC30140","737672","Present",NA,NA
+"30141","9-Acetyl-3,3-dimethyl-4,6-dioxa-1,2,9-triazaspiro[4.4]non-1-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acetyl-3,3-dimethyl-4,6-dioxa-1,2,9-triazaspiro[4.4]non-1-ene",NA,"CC(=O)N1CCOC12N=NC(O2)(C)C","LFUUFLXYLWLFAW-UHFFFAOYSA-N",392370,NA,"PDBC30141","692654","Present",NA,NA
+"30142","9-Acetyl-6a-hydroxy-8-methyl-7-(4-methylphenyl)-2-phenyl-3aH-pyrrolo[3,4-d]indole-1,3,4-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acetyl-6a-hydroxy-8-methyl-7-(4-methylphenyl)-2-phenyl-3aH-pyrrolo[3,4-d]indole-1,3,4-trione",NA,"CC1=CC=C(C=C1)N2C(=C(C34C2(C=CC(=O)C3C(=O)N(C4=O)C5=CC=CC=C5)O)C(=O)C)C","TWUBEYLDOQKVQB-UHFFFAOYSA-N",405607,NA,"PDBC30142","722977","Present",NA,NA
+"30143","9-Acetyl-7-phenyl-5H-pyrazolo[1',5':1,2]pyrrolo[3,4-b]pyrazine-5,8(7H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetyl-5-phenyl-5,6,9,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2,8,10-tetraene-4,7-dione",NA,"CC(=O)C1=C2C3=NC=CN=C3C(=O)N2N(C1=O)C4=CC=CC=C4","VQQSIRLSMKELJK-UHFFFAOYSA-N",389465,NA,"PDBC30143","685675","Present",NA,NA
+"30144","9-Acetyl-9a-methoxy-1,2-dihydrocarbazol-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acetyl-9a-methoxy-1,2-dihydrocarbazol-3-one",NA,"CC(=O)N1C2=CC=CC=C2C3=CC(=O)CCC31OC","SNXLVUUTGRMUJK-UHFFFAOYSA-N",360066,NA,"PDBC30144","621864","Present",NA,NA
+"30145","9-Acridinamine, 7-methoxy-N-[2-[[2-(dimethylamino)ethyl]amino]ethyl]-1-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridinamine, 7-methoxy-N-[2-[[2-(dimethylamino)ethyl]...",NA,"CN(C)CCNCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC","YQEYGHOCVGTTSK-UHFFFAOYSA-N",384250,NA,"PDBC30145","673796","Present",NA,NA
+"30146","9-Acridinamine, 9,10-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridinamine, 9,10-dihydro-",NA,"C1=CC=C2C(=C1)C(C3=CC=CC=C3N2)N","QMFZCYUXVRMJKD-UHFFFAOYSA-N",370574,NA,"PDBC30146","643819","Present",NA,NA
+"30147","9-Acridinamine, N-(4-methoxyphenyl)-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridinamine, N-(4-methoxyphenyl)-, monohydrochloride",NA,"COC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl","MOOVWGYSDVQCIE-UHFFFAOYSA-N",23621357,NA,"PDBC30147","165715","Present",NA,NA
+"30148","9-Acridinamine, N-(5-hydroxypentyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-pentanol, 5-(9-acridinylamino)-",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCO","LPHXZDIAAFATRN-UHFFFAOYSA-N",387996,NA,"PDBC30148","682359","Present",NA,NA
+"30149","9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-7-methoxy-1-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridinamine, N-[2-[(2-hydroxyethyl)amino]ethyl]-7-met...",NA,"COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCNCCO","JZPIJWMIMBFFJU-UHFFFAOYSA-N",384249,NA,"PDBC30149","673795","Present",NA,NA
+"30150","9-Acridinamine, N-[2-[bis(2-hydroxyethyl)amino]ethyl]-7-methoxy-1-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridinamine, N-[2-[bis(2-hydroxyethyl)amino]ethyl]-7-...",NA,"COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCN(CCO)CCO","FSFCSVVEPROIAI-UHFFFAOYSA-N",384247,NA,"PDBC30150","673793","Present",NA,NA
+"30151","9-Acridinamine, N-[3-[bis(2-hydroxyethyl)amino]propyl]-7-methoxy-3-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridinamine, N-[3-[bis(2-hydroxyethyl)amino]propyl]- ...",NA,"COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NCCCN(CCO)CCO","TUHARUHHSBFVAD-UHFFFAOYSA-N",384257,NA,"PDBC30151","673803","Present",NA,NA
+"30152","9-Acridinamine, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-645805",NA,"CNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","NCPACVQCQSZHJP-UHFFFAOYSA-N",371506,NA,"PDBC30152","645805","Present",NA,NA
+"30153","9-Allyl-2-anilino-purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_877468",NA,"C=CCN1C=NC2=C1N=C(NC2=O)NC3=CC=CC=C3","XNNTZLFLHGTMNW-UHFFFAOYSA-N",135435444,NA,"PDBC30153","685819","Present",NA,NA
+"30154","9-Amino-10-methoxy-20(S)-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-10-methoxy-20(S)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5N)OC)N=C4C3=C2)O","PIFKODMCMZLGGP-NRFANRHFSA-N",44315435,NA,"PDBC30154","603075","Present",NA,NA
+"30155","9-Amino-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-2,4,4a,5-tetrahydro-3H-indeno[1,2-c]pyridazin-3-one",NA,"C1C2CC(=O)NN=C2C3=C1C=CC=C3N","JKIVSJDEQNKWOO-UHFFFAOYSA-N",362754,NA,"PDBC30155","627013","Present",NA,NA
+"30156","9-Amino-20(R)-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-20(R)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O","FUXVKZWTXQUGMW-HXUWFJFHSA-N",6711750,NA,"PDBC30156","639173","Present",NA,NA
+"30157","9-Amino-20(S)-glycinyl camptothecin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-20(S)-glycinyl camptothecin hydrochloride",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)OC(=O)CN","GIRLBXKRNUXODQ-QFIPXVFZSA-N",147646627,NA,"PDBC30157","671899","Present",NA,NA
+"30158","9-Amino-20-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629971",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O","FUXVKZWTXQUGMW-UHFFFAOYSA-N",131182,NA,"PDBC30158","629971","Present",NA,NA
+"30159","9-Amino-5,6-difluoro-3-oxo-3H-pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Pyrido[3,2,1-kl]phenoxazine-2-carboxylic acid, 9-amin...",NA,"C1=CC2=C(C=C1N)OC3=C4N2C=C(C(=O)C4=CC(=C3F)F)C(=O)O","NOZQIQAUUCNHJI-UHFFFAOYSA-N",372621,NA,"PDBC30159","648059","Present",NA,NA
+"30160","9-Amino-5-imino-5H-benzo[a]phenoxazine acetate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cresyl violet acetate",NA,"CC(=O)O.C1=CC=C2C(=C1)C(=CC3=C2N=C4C=CC(=N)C=C4O3)N","ORIKHDNZZCTIAD-UHFFFAOYSA-N",135445693,NA,"PDBC30160","752338","Present",NA,NA
+"30161","9-Amino-5-methyl-N-(2-morpholin-4-ylethyl)acridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-5-methyl-N-(2-morpholin-4-ylethyl)acridine-4-carboxamide;hydrochloride",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN4CCOCC4)N.Cl","AGZAORVYVPNNAM-UHFFFAOYSA-N",392379,NA,"PDBC30161","692737","Present",NA,NA
+"30162","9-Amino-6-(3-aminopropyl)-5,3-dimethoxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline Dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-6-(3-aminopropyl)-5,6-dihydro-2,3-dimethoxy-5,11...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)N)N(C2=O)CCCN)OC.Cl","PATYTGNISWRCGY-UHFFFAOYSA-N",17755513,NA,"PDBC30162","740267","Present",NA,NA
+"30163","9-Amino-6-(3-azidopropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-6-(3-azidopropyl)-5,6-dihydro-3-nitro-5,11-dioxo...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)N)N(C2=O)CCCN=[N+]=[N-])OC","XJGSUBISCUNULI-UHFFFAOYSA-N",17755320,NA,"PDBC30163","740033","Present",NA,NA
+"30164","9-Amino-6-chloro-2-methoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"g 185",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)N","IHHSSHCBRVYGJX-UHFFFAOYSA-N",19080,NA,"PDBC30164","15300","Present",NA,NA
+"30165","9-Amino-7-(3,4,5-trimethoxyphenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-7-(3,4,5-trimethoxyphenyl)-6H-benzo[c]chromene-8,10-dicarbonitrile",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C(=C(C3=C2COC4=CC=CC=C43)C#N)N)C#N","PBMABKSVUQHTHT-UHFFFAOYSA-N",399086,NA,"PDBC30165","709502","Present",NA,NA
+"30166","9-Amino-N-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-N-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)-2-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)N","LJUDGEUGTUPLIR-UHFFFAOYSA-N",385767,NA,"PDBC30166","677161","Present",NA,NA
+"30167","9-Amino-N-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-N-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)N","LAXUPBAPADZLEF-UHFFFAOYSA-N",370660,NA,"PDBC30167","644036","Present",NA,NA
+"30168","9-Amino-N-(4-sulfamoylphenyl)acridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-N-(4-sulfamoylphenyl)acridine-2-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)N","AWJKPCXZDCPSTM-UHFFFAOYSA-N",385766,NA,"PDBC30168","677160","Present",NA,NA
+"30169","9-Amino-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)N","OTASDWCIGPIJIO-UHFFFAOYSA-N",370659,NA,"PDBC30169","644035","Present",NA,NA
+"30170","9-Amino-N-[2-(2-aminoethylamino)ethyl]-5-methylacridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, 9-amino-N-[2-[(2-aminoethyl)amino...",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCNCCN)N.Cl","RFLZTQNESMGWOW-UHFFFAOYSA-N",392741,NA,"PDBC30170","693545","Present",NA,NA
+"30171","9-Amino-N-[3-(2-aminoethylamino)propyl]-5-methylacridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, 9-amino-N-[3-[(2-aminoethyl)amino...",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCCNCCN)N.Cl","TXVXBUTUBLMKJN-UHFFFAOYSA-N",392737,NA,"PDBC30171","693543","Present",NA,NA
+"30172","9-Amino-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Amino-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)N)C","DJISHDONRUFUKX-UHFFFAOYSA-N",370661,NA,"PDBC30172","644037","Present",NA,NA
+"30173","9-Aminocamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminocamptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O","FUXVKZWTXQUGMW-FQEVSTJZSA-N",72402,NA,"PDBC30173","603071","Present",NA,NA
+"30174","9-Aminocaptothecin lactam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Aminocaptothecin lactam",NA,"CCC1(C2=C(CNC1=O)C(=O)N3CC4=CC5=C(C=CC=C5N=C4C3=C2)N)O","YUMLWEZPEKBHLE-FQEVSTJZSA-N",146256655,NA,"PDBC30174","696881","Present",NA,NA
+"30175","9-Azido-10-methylacridinium methosulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Azido-10-methylacridinium methosulfate",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)N=[N+]=[N-].COS(=O)(=O)[O-]","XLCGWGJBAVLPGZ-UHFFFAOYSA-M",147587,NA,"PDBC30175","165717","Present",NA,NA
+"30176","9-Benzoyl-4,6a-dihydroxy-8-methyl-2-phenyl-7H-pyrrolo[3,4-d]indole-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzoyl-4,6a-dihydroxy-8-methyl-2-phenyl-7H-pyrrolo[3,4-d]indole-1,3-dione",NA,"CC1=C(C23C(=C(C=CC2(N1)O)O)C(=O)N(C3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","QDJJBJPHGJCTRF-UHFFFAOYSA-N",54695424,NA,"PDBC30176","722978","Present",NA,NA
+"30177","9-Benzoyl-6a-hydroxy-6-methoxy-8-methyl-2-phenyl-3a,5,6,7-tetrahydropyrrolo[3,4-d]indole-1,3,4-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzoyl-6a-hydroxy-6-methoxy-8-methyl-2-phenyl-3a,5,6,7-tetrahydropyrrolo[3,4-d]indole-1,3,4-trione",NA,"CC1=C(C23C(C(=O)CC(C2(N1)O)OC)C(=O)N(C3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","UDZBVSRZPAIWSA-UHFFFAOYSA-N",404597,NA,"PDBC30177","720989","Present",NA,NA
+"30178","9-Benzyl-2,2,6-trimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[2-(Tert-butoxycarbonylamino)propanoylamino]-3-phenyl-propanoyl]amino]acetic acid",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)O)NC(=O)OC(C)(C)C","BNHLBJXRGOUOCN-UHFFFAOYSA-N",381732,NA,"PDBC30178","668592","Present",NA,NA
+"30179","9-Benzyl-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyl-2,2-dimethyl-2,9-dihydro-1H-purine-6-carboxamide",NA,"CC1(NC2=C(C(=N1)C(=O)N)N=CN2CC3=CC=CC=C3)C","XUFDVCIWOLLPFT-UHFFFAOYSA-N",135409224,NA,"PDBC30179","670256","Present",NA,NA
+"30180","9-Benzyl-6-(benzylthio)-9H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-benzyl-6-(benzylthio)-9H-purin-2-amine",NA,"C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3SCC4=CC=CC=C4)N","DNNVKRLIFZPYGL-UHFFFAOYSA-N",238161,NA,"PDBC30180","42384","Present",NA,NA
+"30181","9-Benzyl-6-chloro-8-(2-phenylethynyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyl-6-chloro-8-(2-phenylethynyl)purine",NA,"C1=CC=C(C=C1)CN2C(=NC3=C2N=CN=C3Cl)C#CC4=CC=CC=C4","DHPCMGNWYIOGCT-UHFFFAOYSA-N",401178,NA,"PDBC30181","714379","Present",NA,NA
+"30182","9-Benzyl-6-chloro-8-ethenyl-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyl-6-chloro-8-ethenyl-9H-purine",NA,"C=CC1=NC2=C(N1CC3=CC=CC=C3)N=CN=C2Cl","XIHMCFSBNYRRDQ-UHFFFAOYSA-N",401179,NA,"PDBC30182","714380","Present",NA,NA
+"30183","9-Benzyl-6-methoxy-2-methyl-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyl-6-methoxy-2-methyl-9H-purine",NA,"CC1=NC2=C(C(=N1)OC)N=CN2CC3=CC=CC=C3","ODXMVYUQRUFXRQ-UHFFFAOYSA-N",382623,NA,"PDBC30183","670264","Present",NA,NA
+"30184","9-Benzyl-7-(2-bromoethylamino)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyl-7-(2-bromoethylamino)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=O)N(C3=N2)CC4=CC=CC=C4)NCCBr","IIBNACRVAGDDII-UHFFFAOYSA-N",392196,NA,"PDBC30184","692329","Present",NA,NA
+"30185","9-Benzyl-7-(3-bromopropylamino)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyl-7-(3-bromopropylamino)-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=O)N(C3=N2)CC4=CC=CC=C4)NCCCBr","GOSOKXMYHCNAEK-UHFFFAOYSA-N",392197,NA,"PDBC30185","692330","Present",NA,NA
+"30186","9-Benzyl-7-bromo-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyl-7-bromo-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,8-trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C=C(C(=O)N(C3=N2)CC4=CC=CC=C4)Br","MRJUCPQTMKHNQF-UHFFFAOYSA-N",392195,NA,"PDBC30186","692328","Present",NA,NA
+"30187","9-Benzyl-8-chloro-6-(2-thienyl)-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyl-8-chloro-6-(2-thienyl)-9H-purine",NA,"C1=CC=C(C=C1)CN2C3=NC=NC(=C3N=C2Cl)C4=CC=CS4","ZPFRIMMYEWGPAD-UHFFFAOYSA-N",401177,NA,"PDBC30187","714378","Present",NA,NA
+"30188","9-Benzyl-8-methyl-3,4-dihydro-9H-5-oxa-1,2a,9-tria za-cyclopenta[d]acenaphthylene-7-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyl-8-methyl-3,4-dioxo-3,4-dihydro-9H-5-oxa-1,2a,9-...",NA,"CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C=N3)CC5=CC=CC=C5)C","NYEOJLVUQGCIPZ-UHFFFAOYSA-N",24204306,NA,"PDBC30188","731292","Present",NA,NA
+"30189","9-Benzylidene-5-phenyl-8,9-dihydro-5H,6H-[1,3]thiazolo[3,2-a]thiopyrano[4,3-d]pyrimidin-3(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(13Z)-13-Benzylidene-8-phenyl-4,11-dithia-2,7-diazatricyclo[7.4.0.03,7]trideca-1(9),2-dien-6-one",NA,"C1C(=CC2=CC=CC=C2)C3=C(CS1)C(N4C(=O)CSC4=N3)C5=CC=CC=C5","KJWRTGYLSMBUJR-GZTJUZNOSA-N",6302940,NA,"PDBC30189","670058","Present",NA,NA
+"30190","9-Benzyloxy-3-methyl-2-nonen-1-ol pyrophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Benzyloxy-3-methyl-2-nonen-1-ol pyrophosphate",NA,"CC(=CCOP(=O)(O)OP(=O)(O)O)CCCCCCOCC1=CC=CC=C1.N","BEMBOPPFXJXXHO-CLNHMMGSSA-N",5473030,NA,"PDBC30190","723489","Present",NA,NA
+"30191","9-Bromo-2,3-dimethoxy-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indolo[3,2-d][1]benzazepin-6(5H)-one, 9-bromo-7,12-dihyd...",NA,"COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)Br)OC","DUZUWJBAONJCTE-UHFFFAOYSA-N",395805,NA,"PDBC30191","700693","Present",NA,NA
+"30192","9-Bromo-5,11-dimethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Bromo-5,11-dimethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate",NA,"CC1=C2C(=O)C=CNC2=C(C3=C1NC4=C3C=C(C=C4)Br)C.CS(=O)(=O)O","JEVQEOOLGMZDOE-UHFFFAOYSA-N",374580,NA,"PDBC30192","652554","Present",NA,NA
+"30193","9-Bromo-5-tert-butyl-2-(4-methoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Bromo-9-tert-butyl-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)Br)C(=O)N(C3=O)C6=CC=C(C=C6)OC","UIIBCMDUIKMZEK-UHFFFAOYSA-N",379245,NA,"PDBC30193","663659","Present",NA,NA
+"30194","9-Bromo-6-(2-furoyl)-6H-indolo[2,3-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Bromo-6-(2-furoyl)-6H-indolo[2,3-b]quinoxaline",NA,"C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)C(=O)C5=CC=CO5","ILWLLMWKPUHVMJ-UHFFFAOYSA-N",394877,NA,"PDBC30194","698968","Present",NA,NA
+"30195","9-Bromo-6-(3-Chloropropyl)-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Bromo-6-(3-Chloropropyl)-5,6-dihydro -5,11-dioxo-11H-i...",NA,"C1=CC=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)Br)N(C2=O)CCCCl","XYPBWLXFMFUWGT-UHFFFAOYSA-N",45027881,NA,"PDBC30195","732660","Present",NA,NA
+"30196","9-Bromo-6-(4-bromophenyl)sulfonyl-indolo[3,2-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Bromo-6-(4-bromophenyl)sulfonyl-indolo[3,2-b]quinoxaline",NA,"C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)S(=O)(=O)C5=CC=C(C=C5)Br","RRWBGGIOMXSDOP-UHFFFAOYSA-N",394880,NA,"PDBC30196","698971","Present",NA,NA
+"30197","9-Bromo-6-(4-nitrophenyl)sulfonyl-indolo[3,2-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Bromo-6-(4-nitrophenyl)sulfonyl-indolo[2,3-b]quinoxaline",NA,"C1=CC=C2C(=C1)N=C3C4=C(C=CC(=C4)Br)N(C3=N2)S(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]","VRCCRKAOXNHONY-UHFFFAOYSA-N",394882,NA,"PDBC30197","698973","Present",NA,NA
+"30198","9-Bromo-6-(p-tolylsulfonyl)indolo[3,2-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Bromo-6-(p-tolylsulfonyl)indolo[3,2-b]quinoxaline",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","FRTBKOYUODVOMA-UHFFFAOYSA-N",394881,NA,"PDBC30198","698972","Present",NA,NA
+"30199","9-Bromo-6-(phenylsulfonyl)-6H-indolo[2,3-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Bromo-6-(phenylsulfonyl)-6H-indolo[2,3-b]quinoxaline",NA,"C1=CC=C(C=C1)S(=O)(=O)N2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","GWJFVXRSAPKLCU-UHFFFAOYSA-N",394879,NA,"PDBC30199","698970","Present",NA,NA
+"30200","9-Bromonoscapine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733397",NA,"CN1CCC2=C(C1C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)C(=C5C(=C2Br)OCO5)OC","PLMUFLAOTAHIIZ-SJORKVTESA-N",10255081,NA,"PDBC30200","733397","Present",NA,NA
+"30201","9-Butyl-1,2,3,4,5,6,7,8-octahydroacridin-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Butyl-1,2,3,4,5,6,7,8-octahydro-4-acridinol",NA,"CCCCC1=C2CCCC(C2=NC3=C1CCCC3)O","KASONYUJHMHLCL-UHFFFAOYSA-N",377556,NA,"PDBC30201","659123","Present",NA,NA
+"30202","9-Butyl-10-oxido-1,2,3,4,5,6,7,8-octahydroacridin-10-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Butyl-10-oxido-1,2,3,4,5,6,7,8-octahydroacridin-10-ium",NA,"CCCCC1=C2CCCCC2=[N+](C3=C1CCCC3)[O-]","YCUNAVCEFWRALJ-UHFFFAOYSA-N",373774,NA,"PDBC30202","650738","Present",NA,NA
+"30203","9-Butyl-2,3,5,6,7,8-hexahydro-4(1H)-acridinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Butyl-2,3,5,6,7,8-hexahydro-4(1H)-acridinone",NA,"CCCCC1=C2CCCC(=O)C2=NC3=C1CCCC3","QBPDEDBUTGNVEL-UHFFFAOYSA-N",373775,NA,"PDBC30203","650739","Present",NA,NA
+"30204","9-Butyl-2,3,7,8-tetrahydro-4,5(1H,6H)-acridinedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Butyl-2,3,7,8-tetrahydro-4,5(1H,6H)-acridinedione",NA,"CCCCC1=C2CCCC(=O)C2=NC3=C1CCCC3=O","OQDVKMHJTCWQAV-UHFFFAOYSA-N",373784,NA,"PDBC30204","650747","Present",NA,NA
+"30205","9-Butyl-7-hydroxy-6-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Butyl-7-hydroxy-6-methyl-5-propan-2-yloxy-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one",NA,"CCCCC1C=CN2C3=C1C(=C(C(=C3OC2=O)OC(C)C)C)O","SUKGMMWJKYXMQI-UHFFFAOYSA-N",394550,NA,"PDBC30205","698095","Present",NA,NA
+"30206","9-Butyramidojulolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[?]ylbutanamide",NA,"CCCC(=O)NC1=CC2=C3C(=C1)CCCN3CCC2","AVUGJDOFAYYYMI-UHFFFAOYSA-N",293445,NA,"PDBC30206","160040","Present",NA,NA
+"30207","9-Chlor-2-methyl-oxazolo(4,5-c)quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chlor-2-methyl-oxazolo(4,5-c)quinolin-4-one",NA,"CC1=NC2=C(O1)C3=C(C=CC(=C3)Cl)NC2=O","GDGJGZYQFLSNFO-UHFFFAOYSA-N",387485,NA,"PDBC30207","681286","Present",NA,NA
+"30208","9-Chlor-2-phenyl-oxazolo(4,5-c)quinolin-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chlor-2-phenyl-oxazolo(4,5-c)quinolin-4-one",NA,"C1=CC=C(C=C1)C2=NC3=C(O2)C4=C(C=CC(=C4)Cl)NC3=O","JHFNLDNGMOPDPD-UHFFFAOYSA-N",387486,NA,"PDBC30208","681287","Present",NA,NA
+"30209","9-Chloro-10,11-methylenedioxycamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-10,11-methylenedioxy-20(S)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C6=C(C=C5N=C4C3=C2)OCO6)Cl)O","AQSRKNJFNKOMDG-NRFANRHFSA-N",468671,NA,"PDBC30209","673591","Present",NA,NA
+"30210","9-Chloro-10b-phenyl-10bH-2,1-(epiminoethano)[1,2,4]triazolo[1,5-c]quinazoline-5(6H)-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-12a-phenyl-5,10,11,12a-tetrahydro-6H,9H-imidazo...",NA,"C1CN2C(=N1)NN3C2(C4=C(C=CC(=C4)Cl)NC3=S)C5=CC=CC=C5","XBYKCGBSZBIWRO-UHFFFAOYSA-N",23624998,NA,"PDBC30210","740812","Present",NA,NA
+"30211","9-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CN1C2=C(C=CC(=C2)Cl)C3=C1C4=C(C=C3)C(=O)C=CC4=O","SPWIYWDVWJKLLV-UHFFFAOYSA-N",376316,NA,"PDBC30211","657030","Present",NA,NA
+"30212","9-Chloro-12,13-dimethoxy-6-methyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-12,13-dimethoxy-6-methyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one",NA,"CC1=CC2=C3C(=C1)C(=NC4=C3C(=CC(=C4OC)OC)NC2=O)Cl","ZUTMMPTZGWORKY-UHFFFAOYSA-N",5470921,NA,"PDBC30212","706235","Present",NA,NA
+"30213","9-Chloro-12,13-dimethoxy-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-12,13-dimethoxy-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaen-3-one",NA,"COC1=C(C2=C3C(=C1)NC(=O)C4=C3C(=CC(=C4)C5=CC=CC=C5)C(=N2)Cl)OC","LDAFJPGSDGLYRP-UHFFFAOYSA-N",5470922,NA,"PDBC30213","706236","Present",NA,NA
+"30214","9-Chloro-2,3,4,6,6a,7-hexahydro-1H-naphtho[2,3-a]indolizin-5-ium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-2,3,4,6,6a,7-hexahydro-1h-naphtho[3,2-a]indolizin-5-ium; trifluoromethanesulfonate",NA,"C1CC[N+]2=C(C1)C3=CC4=C(CC3C2)C=C(C=C4)Cl.C(F)(F)(F)S(=O)(=O)[O-]","LSKIDFDDJAVUSN-UHFFFAOYSA-M",397949,NA,"PDBC30214","707026","Present",NA,NA
+"30215","9-Chloro-2,3,5,11-tetramethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-2,3,5,11-tetramethyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate",NA,"CC1=C(NC2=C(C1=O)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)Cl)C)C.CS(=O)(=O)O","PLFIIXGXJSDAFW-UHFFFAOYSA-N",374595,NA,"PDBC30215","652565","Present",NA,NA
+"30216","9-Chloro-2-methylellipticinium acetate, hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-2-methylellipticinium acetate, hydrate",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)Cl)C)C.CC(=O)[O-]","TUDWARPSAGMNMB-UHFFFAOYSA-N",10383530,NA,"PDBC30216","632855","Present",NA,NA
+"30217","9-Chloro-5,11-dimethyl-2-propyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-5,11-dimethyl-2-propyl-6H-pyrido[3,2-b]carbazol-4-ol methanesulfonate",NA,"CCCC1=CC(=O)C2=C(N1)C(=C3C4=C(C=CC(=C4)Cl)NC3=C2C)C.CS(=O)(=O)O","AMFLHDULWYVAFF-UHFFFAOYSA-N",499465,NA,"PDBC30217","679259","Present",NA,NA
+"30218","9-Chloro-5-methyl-2,3-dihydro-1H-pyrido[3,2,1-kl]phenothiazine 7,7-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-11-methyl-8lambda6-thia-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene 8,8-dioxide",NA,"CC1=CC2=C3C(=C1)S(=O)(=O)C4=C(N3CCC2)C=CC(=C4)Cl","AXAQFSMEKJXMGV-UHFFFAOYSA-N",380119,NA,"PDBC30218","665521","Present",NA,NA
+"30219","9-Chloro-6-(2-(dimethylamino)ethoxy)-11H-indeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-chloro-6-(2-(dimethylamino)ethoxy)-11H-indeno[1,2-c]qu...",NA,"CN(C)CCOC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)Cl","VHBGIGFXPRGJIP-UHFFFAOYSA-N",54672982,NA,"PDBC30219","754243","Present",NA,NA
+"30220","9-Chloro-6-[3-(dimethylamino)propoxy]-3-methoxyindeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-chloro-6-(3-(dimethylamino)propoxy)-3-methoxy-11H-inde...",NA,"CN(C)CCCOC1=NC2=C(C=CC(=C2)OC)C3=C1C4=C(C3=O)C=C(C=C4)Cl","RFCWXVNPUZVJPV-UHFFFAOYSA-N",155807312,NA,"PDBC30220","781403","Present",NA,NA
+"30221","9-Chloro-6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-6-hydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one",NA,"CC1(C=CC2=C(O1)C=C(C3=C2NC4=C(C3=O)C=C(C=C4)Cl)O)C","DODZZNFJJYOJMN-UHFFFAOYSA-N",5468057,NA,"PDBC30221","663408","Present",NA,NA
+"30222","9-Chloro-8-methyl-1,3,6,6-pentoxo-3H-1,2-dihydro[1,2,4,6]t hiatriazino[3,4-c][1,2,4]benzothiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-8-methyl-1,3,3,6,6-pentoxo-3H-1,2-dihydro[1,2,4...",NA,"CC1=CC2=C(C=C1Cl)N3C(=NS(=O)(=O)NC3=O)NS2(=O)=O","AECPHZFYIDTMLR-UHFFFAOYSA-N",24206085,NA,"PDBC30222","740022","Present",NA,NA
+"30223","9-Chloro-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chloro-[1,3]benzoxazolo[2,3-b]quinazolin-12-imine",NA,"C1=CC=C2C(=C1)C(=N)N3C4=C(C=CC(=C4)Cl)OC3=N2.Cl","UHHTZOKLJGDKAS-UHFFFAOYSA-N",382430,NA,"PDBC30223","669997","Present",NA,NA
+"30224","9-Chlorobenzo[c]quinolizin-11-ium-6-amine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679796",NA,"C1=CC=[N+]2C(=C1)C=C(C3=C2C=C(C=C3)Cl)N.[Cl-]","IOZQBQXKJSJERM-UHFFFAOYSA-N",386894,NA,"PDBC30224","679796","Present",NA,NA
+"30225","9-Chlorobenzo[c]quinolizin-11-ium-6-ol;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679798",NA,"C1=CC=[N+]2C(=C1)C=C(C3=C2C=C(C=C3)Cl)O.[Cl-]","ABQYIFUUNFDKKD-UHFFFAOYSA-N",386898,NA,"PDBC30225","679798","Present",NA,NA
+"30226","9-Chlorocamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-652525",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)Cl)O","MXIBGRFZFZXAKG-FQEVSTJZSA-N",10156768,NA,"PDBC30226","652525","Present",NA,NA
+"30227","9-Chloroellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-chloroellipticine",NA,"CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)Cl)C","FNYVRIAEQQSFQU-UHFFFAOYSA-N",300858,NA,"PDBC30227","176326","Present",NA,NA
+"30228","9-Chloronaphtho[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphth[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione, 9-chl...",NA,"C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=C(C=CC4=N3)Cl","VZYGUWNBWRRBMX-UHFFFAOYSA-N",19610848,NA,"PDBC30228","742544","Present",NA,NA
+"30229","9-Chlorophenanthrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Chlorophenanthrene",NA,"C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)Cl","CJWHZQNUDAJJSB-UHFFFAOYSA-N",13694,NA,"PDBC30229","8552","Present",NA,NA
+"30230","9-DEAZAADENOSINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-DEAZAADENOSINE",NA,"C1=C(C2=C(N1)C(=NC=N2)N)C3C(C(C(O3)CO)O)O.Cl","ABQJRAXGQPSYFZ-UHFFFAOYSA-N",5351324,NA,"PDBC30230","352890","Present",NA,NA
+"30231","9-Deoxy-sibiromycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-deoxy-sibiromycin",NA,"CC=CC1=CN2C(C1)C=NC3=C(C2=O)C=C(C(=C3)C)OC4C(C(C(C(O4)C)NC)(C)O)O","FLYYWBJOHHJDAU-USXWEJKASA-N",60148374,NA,"PDBC30231","754310","Present",NA,NA
+"30232","9-Diazo-10-oxophenanthrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Diazophenanthrone",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2[N+]#N)[O-]","GEOQDCBHAVUVST-UHFFFAOYSA-N",139041,NA,"PDBC30232","407389","Present",NA,NA
+"30233","9-Diethylaminoethoxy-20(RS)-camptothecin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Diethylaminoethoxy-20(RS)-camptothecin hydrochloride",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OCCN(CC)CC)N=C4C3=C2)O","OXWXREDKWIAILB-UHFFFAOYSA-N",76412286,NA,"PDBC30233","621686","Present",NA,NA
+"30234","9-Ethoxy-2,3,8-trimethoxybenzo[c]phenanthridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethoxy-2,3,8-trimethoxybenzo[c]phenanthridine",NA,"CCOC1=C(C=C2C=NC3=C(C2=C1)C=CC4=CC(=C(C=C43)OC)OC)OC","RSHWJQCEUMDEJZ-UHFFFAOYSA-N",371231,NA,"PDBC30234","645289","Present",NA,NA
+"30235","9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium acetate",NA,"CCOC1=CC2=C(C=C1)NC3=C2C(=C4C=[N+](C=CC4=C3C)C)C.CC(=O)[O-]","VSRZRDQHIOJNFU-UHFFFAOYSA-N",373614,NA,"PDBC30235","650263","Present",NA,NA
+"30236","9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium iodide",NA,"CCOC1=CC2=C(C=C1)NC3=C2C(=C4C=[N+](C=CC4=C3C)C)C.[I-]","UPNQHZJZSOKBEN-UHFFFAOYSA-N",373612,NA,"PDBC30236","650262","Present",NA,NA
+"30237","9-Ethoxy-2-[(2-fluorophenyl)methyl]benzo[f]benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethoxy-2-(2-fluorobenzyl)-4H-naphtho[2,3-d]imidazol-4-one",NA,"CCOC1=C2C(=NC(=N2)CC3=CC=CC=C3F)C(=O)C4=CC=CC=C41","STLJYPWKERQMJJ-UHFFFAOYSA-N",371181,NA,"PDBC30237","645213","Present",NA,NA
+"30238","9-Ethoxy-2-[1-(2-fluorophenyl)propyl]benzo[f]benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethoxy-2-[1-(2-fluorophenyl)propyl]-4H-naphtho[2,3-d]imidazol-4-one",NA,"CCC(C1=CC=CC=C1F)C2=NC3=C(C4=CC=CC=C4C(=O)C3=N2)OCC","ALYWAMQRXVVHOD-UHFFFAOYSA-N",371182,NA,"PDBC30238","645214","Present",NA,NA
+"30239","9-Ethoxy-2-[1-(4-fluorophenyl)propyl]benzo[f]benzimidazol-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethoxy-2-[1-(4-fluorophenyl)propyl]-4H-naphtho[2,3-d]imidazol-4-one",NA,"CCC(C1=CC=C(C=C1)F)C2=NC3=C(C4=CC=CC=C4C(=O)C3=N2)OCC","JAOWQLNBEWEPQB-UHFFFAOYSA-N",371183,NA,"PDBC30239","645215","Present",NA,NA
+"30240","9-Ethoxyellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethoxyellipticine",NA,"CCOC1=CC2=C(C=C1)NC3=C2C(=C4C=NC=CC4=C3C)C","OZIZDISMPMNONO-UHFFFAOYSA-N",373611,NA,"PDBC30240","650261","Present",NA,NA
+"30241","9-Ethyl-3-methyl-12-phenyl-9,10-dihydropyrazolo[4,3-c][1,2,4]triazolo[4,3-a][1,5]benzodiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12-Ethyl-3-methyl-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,7,10,13,15-heptaene",NA,"CCN1C2=CC=CC=C2N3C(=NN=C3C4=C(NN=C41)C5=CC=CC=C5)C","RCHBGWDCBBTEBV-UHFFFAOYSA-N",383802,NA,"PDBC30241","672305","Present",NA,NA
+"30242","9-Ethylsulfanyl-12-phenyl-15-oxa-7,12-diazatetracyclo[7.5.1.01,7.010,14]pentadecane-8,11,13-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethylsulfanyl-12-phenyl-15-oxa-7,12-diazatetracyclo[7.5.1.01,7.010,14]pentadecane-8,11,13-trione",NA,"CCSC12C3C(C(=O)N(C3=O)C4=CC=CC=C4)C5(O1)CCCCCN5C2=O","KEAQETBYJBOAGZ-UHFFFAOYSA-N",397445,NA,"PDBC30242","705303","Present",NA,NA
+"30243","9-Fluoro-11-(4-dimethylaminobenzyliden)-5-methyl-11H-indolo[1,2-b]indazolium trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Fluoro-11-(4-dimethylaminobenzyliden)-5-methyl-11H-ind...",NA,"C[N+]1=C2C=CC(=CC2=C3N1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C)F.C(F)(F)(F)S(=O)(=O)[O-]","CBDQTTWGEIJTKZ-UHFFFAOYSA-M",24202853,NA,"PDBC30243","726091","Present",NA,NA
+"30244","9-Fluoro-2-(4-methoxyphenyl)-5-phenyl-3b,4,5,6,7,7a,12,12b-octahydrobenzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16-Fluoro-4-(4-methoxyphenyl)-9-phenyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)F)C7=CC=CC=C7","WNALTOKJDUZWSB-UHFFFAOYSA-N",390914,NA,"PDBC30244","689135","Present",NA,NA
+"30245","9-Glycinamido-20(RS)-camptothecin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Glycinamido-20(RS)-camptothecin hydrochloride",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5NC(=O)CN)N=C4C3=C2)O","DTOULAIVSVXJDX-UHFFFAOYSA-N",368336,NA,"PDBC30245","619232","Present",NA,NA
+"30246","9-Glycineamido-20(S)-camptothecin.HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639174",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5NC(=O)CN)N=C4C3=C2)O.Cl","LYLOFHMTQZERLJ-FTBISJDPSA-N",3246719,NA,"PDBC30246","639174","Present",NA,NA
+"30247","9-Hydrazino-9-oxononanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydrazino-9-oxononanoic acid",NA,"C(CCCC(=O)NN)CCCC(=O)O","JJBTZOWLFBHYGR-UHFFFAOYSA-N",393118,NA,"PDBC30247","694518","Present",NA,NA
+"30248","9-Hydrazinoacridinhydrochlorid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydrazinoacridinhydrochlorid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NN.Cl","VANXQMULYAQKPH-UHFFFAOYSA-N",54609366,NA,"PDBC30248","14977","Present",NA,NA
+"30249","9-Hydroxy-10-nitrocamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Nitro-10-hydroxy-20(S)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5[N+](=O)[O-])O)N=C4C3=C2)O","DTZABKRGTMUGCV-FQEVSTJZSA-N",190791,NA,"PDBC30249","603076","Present",NA,NA
+"30250","9-Hydroxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-17-azatetracyclo[7.6.2.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-8-one",NA,"C1C2C3=CC=CC=C3C(=O)C(N1)(C4=CC=CC=C24)O","MBTMGXPHRYRFMP-UHFFFAOYSA-N",434351,NA,"PDBC30250","349001","Present",NA,NA
+"30251","9-Hydroxy-2-(.beta.-diethylaminoethyl)ellipticinium acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-2-(.beta.-diethylaminoethyl)ellipticinium acetate",NA,"CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)O)C.CC(=O)[O-]","WHMNPIDOCVCZKA-UHFFFAOYSA-N",3086131,NA,"PDBC30251","311152","Present",NA,NA
+"30252","9-Hydroxy-2-methyl-1H,8H,11H-12-oxa-2,3a,7b-triazabenzo[e]acephenanthrylene-1,3,8,11(2H)-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-Hydroxy-10-methyl-14-oxa-1,8,10-triazapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2,4,6,12(20),13(18),16-hexaene-9,11,15,19-tetrone",NA,"CN1C(=O)C2=C3N(C4=CC=CC=C4N3C1=O)C(=O)C5=C2OC(=O)C=C5O","XJOJGJMOBLYBGG-UHFFFAOYSA-N",54676249,NA,"PDBC30252","631385","Present",NA,NA
+"30253","9-Hydroxy-5(3-phenylpropyl)-5H-indeno[1,2-b]indol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-5(3-phenylpropyl)-5H-indeno[1,2-b]indol-10-one",NA,"C1=CC=C(C=C1)CCCN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O","GZTRCXAQUUGAOR-UHFFFAOYSA-N",24204800,NA,"PDBC30253","732980","Present",NA,NA
+"30254","9-Hydroxy-5,11-dimethyl-5H-quinindoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,11-Dimethyl-5H-indolo[2,3-b]quinolin-9-ol",NA,"CC1=C2C3=C(C=CC(=C3)O)N=C2N(C4=CC=CC=C14)C","JOSXKULEUUHSGS-UHFFFAOYSA-N",378355,NA,"PDBC30254","660437","Present",NA,NA
+"30255","9-Hydroxy-5-(4-methoxybenzyl)-5H-indeno[1,2-b]indol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-5-(4-methoxybenzyl)-5H-indeno[1,2-b]indol-10-one",NA,"COC1=CC=C(C=C1)CN2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O","IRXVDPURZSJEEU-UHFFFAOYSA-N",24205266,NA,"PDBC30255","734794","Present",NA,NA
+"30256","9-Hydroxy-5-phenyl-5H-indeno[1,2-b]indol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-5-phenyl-5H-indeno[1,2-b]indol-10-one",NA,"C1=CC=C(C=C1)N2C3=C(C(=CC=C3)O)C4=C2C5=CC=CC=C5C4=O","NIWYKJYQHIINEX-UHFFFAOYSA-N",24205267,NA,"PDBC30256","734795","Present",NA,NA
+"30257","9-Hydroxy-5-propyl-5H-indeno[1,2-b]indol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-5-propyl-5H-indeno[1,2-b]indol-10-one",NA,"CCCN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O","NMWCXWMDMBFQNU-UHFFFAOYSA-N",24205265,NA,"PDBC30257","734793","Present",NA,NA
+"30258","9-Hydroxy-5-pyridin-2-ylmethyl-5H-indeno[1,2-b]indol-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-5-pyridin-2-ylmethyl-5H-indeno[1,2-b]indol-10-one",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(N3CC5=CC=CC=N5)C=CC=C4O","BPACCTZKYKDRMT-UHFFFAOYSA-N",24204671,NA,"PDBC30258","732431","Present",NA,NA
+"30259","9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-5a,5b,8,8,11a-pentamethyl-1-(3-oxoprop-1-en-2-yl)-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid",NA,"CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4C(CC5)C(=C)C=O)C(=O)O)C)C)C","OTNMMCVDNMEIGO-UHFFFAOYSA-N",22149181,NA,"PDBC30259","750324","Present",NA,NA
+"30260","9-Hydroxy-6,8-dimethoxy-3,3-dimethyl-2,4-dihydroanthracen-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-6,8-dimethoxy-3,3-dimethyl-2,4-dihydroanthracen-1-one",NA,"CC1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)OC)OC)C","XNTADAJQVRPSJC-UHFFFAOYSA-N",388439,NA,"PDBC30260","683365","Present",NA,NA
+"30261","9-Hydroxy-6-methyl-2,3,8-trimethoxy-11H-indeno(1,2-c)isoquinolinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11H-Indeno[1,2-c]isoquinolinium, 9-hydroxy-2,3,8-trimeth...",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C3)O)OC)OC)OC.[Cl-]","HTBVZYVJIWBTRF-UHFFFAOYSA-N",130333,NA,"PDBC30261","355457","Present",NA,NA
+"30262","9-Hydroxy-7,8-dimethoxy-5-(1-naphthyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-7,8-dimethoxy-5-(1-naphthyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione",NA,"COC1=C(C(=C2C(=C1)C(N3C(C2=O)CCC3=O)C4=CC=CC5=CC=CC=C54)O)OC","WZXGHJPWPNTBTF-UHFFFAOYSA-N",393638,NA,"PDBC30262","695849","Present",NA,NA
+"30263","9-Hydroxy-7,8-dimethoxy-5-(1-naphthyl)-2,5,10,10a-tetrahydro-1H-pyrrolo[1,2-b]isoquinolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Hydroxy-7,8-dimethoxy-5-naphthalen-1-yl-1,5,10,10a-tetrahydropyrrolo[1,2-b]isoquinolin-3(2h)-one",NA,"COC1=C(C(=C2CC3CCC(=O)N3C(C2=C1)C4=CC=CC5=CC=CC=C54)O)OC","VJAJEAOAEAKPMX-UHFFFAOYSA-N",393647,NA,"PDBC30263","695858","Present",NA,NA
+"30264","9-Hydroxy-7,8-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-hydroxy-7,8-dimethoxy-5-(3,4,5-trimethoxyphenyl)-1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=CC(=C(C(=C3C(=O)C4N2C(=O)CC4)O)OC)OC","RLOKLHMSZGDOPT-UHFFFAOYSA-N",393645,NA,"PDBC30264","695856","Present",NA,NA
+"30265","9-Hydroxyanthracene-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Anthracenedione, 5-hydroxy-",NA,"C1=CC=C2C(=C1)C=C3C(=O)C=CC(=O)C3=C2O","WRNLLFFUMFNHNF-UHFFFAOYSA-N",358258,NA,"PDBC30265","618201","Present",NA,NA
+"30266","9-Hydroxyphenylfluoron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3H-Xanthen-3-one, 2,6,7-trihydroxy-9-(o-hydroxy-phenyl)-",NA,"C1=CC=C(C(=C1)C2=C3C=C(C(=O)C=C3OC4=CC(=C(C=C42)O)O)O)O","GRWQEXZZWRVXDZ-UHFFFAOYSA-N",72722,NA,"PDBC30266","9037","Present",NA,NA
+"30267","9-Isobutyl-6-(((2-methyl-1-naphthyl)methyl)thio)-9H-purin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Isobutyl-6-(((2-methyl-1-naphthyl)methyl)thio)-9H-purin-2-amine",NA,"CC1=C(C2=CC=CC=C2C=C1)CSC3=NC(=NC4=C3N=CN4CC(C)C)N","KUIRJFQCMORRRL-UHFFFAOYSA-N",244996,NA,"PDBC30267","56452","Present",NA,NA
+"30268","9-Isobutyl-8-methyl-3,4-dihydro-9H-5-oxa-1,2a,9-tr iaza-cyclopental[d]acenaphthylene-7-carboxylic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Isobutyl-8-methyl-3,4-dioxo-3,4-dihydro-9H-5-oxa-1,2a,...",NA,"CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C=N3)CC(C)C)C","WRRVOAFTLVHYFU-UHFFFAOYSA-N",24204305,NA,"PDBC30268","731291","Present",NA,NA
+"30269","9-Methoxy-1,7-dimethylphenanthrene-3,6-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-1,7-dimethylphenanthrene-3,6-diol",NA,"CC1=CC(=CC2=C3C=C(C(=CC3=C(C=C12)OC)C)O)O","AODFHPPZKRRCIU-UHFFFAOYSA-N",390663,NA,"PDBC30269","688275","Present",NA,NA
+"30270","9-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-11-methyl-1H-benzo[a]carbazole-1,4(11H)-dione",NA,"CN1C2=C(C=CC(=C2)OC)C3=C1C4=C(C=C3)C(=O)C=CC4=O","SMDCXWRYSGNAAH-UHFFFAOYSA-N",374506,NA,"PDBC30270","652257","Present",NA,NA
+"30271","9-Methoxy-2,2,10-trimethyl-2H,5H-pyrano[3,2-c]chromen-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-2,2,10-trimethyl-2H,5H-pyrano[3,2-c]chromen-5-one",NA,"CC1=C(C=CC2=C1C3=C(C=CC(O3)(C)C)C(=O)O2)OC","IZKMNNMHTFGPQW-UHFFFAOYSA-N",380486,NA,"PDBC30271","666101","Present",NA,NA
+"30272","9-Methoxy-2,5,11-trimethyl-1,3,4,6-tetrahydropyrido[4,3-b]carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ellipticine, 1,2,3,4-tetrahydro-9-methoxy-2-methyl-",NA,"CC1=C2CCN(CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)C","CBTLFIIMNHKZFR-UHFFFAOYSA-N",264931,NA,"PDBC30272","100594","Present",NA,NA
+"30273","9-Methoxy-2,6-dimethylellipticinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-2,6-dimethylellipticinium iodide",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1N(C4=C3C=C(C=C4)OC)C)C)C.[I-]","FCYDLHSTLJWDAF-UHFFFAOYSA-M",24193683,NA,"PDBC30273","155694","Present",NA,NA
+"30274","9-Methoxy-2-[(benzoyloxy)methyl]-5,3-b]carbazolium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-2-[(benzoyloxy)methyl]-5,11-dimethyl- 6H-pyrid...",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)COC(=O)C5=CC=CC=C5.[I-]","NCXKRMXHCQKIJU-UHFFFAOYSA-N",365242,NA,"PDBC30274","632620","Present",NA,NA
+"30275","9-Methoxy-2-[(propionyloxy)methyl]-5,3-b]carbazolium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-2-[(propionyloxy)methyl]-5,11-dimethyl- 6H-pyr...",NA,"CCC(=O)OC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=C3C=C(C=C4)OC)C.[I-]","GVSXXZRSKQCGJU-UHFFFAOYSA-N",365244,NA,"PDBC30275","632621","Present",NA,NA
+"30276","9-Methoxy-2-methyl-3h-benzo[f]chromen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-2-methyl-3h-benzo[f]chromen-3-one",NA,"CC1=CC2=C(C=CC3=C2C=C(C=C3)OC)OC1=O","GCMWRZRNFGLGQA-UHFFFAOYSA-N",231850,NA,"PDBC30276","28618","Present",NA,NA
+"30277","9-Methoxy-2-phenyl-6H-pyrido[2,1-c][1,4]benzoxazin-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-2-phenylpyrido[2,1-c][1,4]benzoxazin-8(6h)-one",NA,"COC1=CN2C(=CC1=O)COC3=C2C=C(C=C3)C4=CC=CC=C4","AUDBNYXYTXJPHP-UHFFFAOYSA-N",404766,NA,"PDBC30277","721256","Present",NA,NA
+"30278","9-Methoxy-4,4-dimethyl-1-phenylmethoxy-3,5,8,10-tetraoxatricyclo[5.2.2.02,6]undecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-4,4-dimethyl-1-phenylmethoxy-3,5,8,10-tetraoxatricyclo[5.2.2.02,6]undecane",NA,"CC1(OC2C3COC(C2O1)(C(O3)OC)OCC4=CC=CC=C4)C","SBEWAOCFMZWMSQ-UHFFFAOYSA-N",388913,NA,"PDBC30278","684149","Present",NA,NA
+"30279","9-Methoxy-5-oxo-5,10-dihydrobenzo[b][1,8]naphthyridine-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-5-oxo-5,10-dihydrobenzo[b][1,8]naphthyridine-6-carboxylic acid",NA,"COC1=C2C(=C(C=C1)C(=O)O)C(=O)C3=C(N2)N=CC=C3","IPSZGNMMICLXDC-UHFFFAOYSA-N",362335,NA,"PDBC30279","625994","Present",NA,NA
+"30280","9-Methoxy-6,7-dihydrobenzo[h]tetrazolo[1,5-a]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methoxy-14,15,16,17-tetrazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2(7),3,5,11,13,15-heptaene-12-carboxamide",NA,"COC1=CC2=C(C=C1)C3=C(CC2)C=C(C4=NN=NN34)C(=O)N","WQZOIYUPVFLNQK-UHFFFAOYSA-N",397894,NA,"PDBC30280","706809","Present",NA,NA
+"30281","9-Methoxy-6-(2-methoxyanilino)indeno[1,2-c]quinolin-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-6-(2-methoxyanilino)indeno[1,2-c]quinolin-11-one",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3NC5=CC=CC=C5OC","WGVFBXNSGVLCPT-UHFFFAOYSA-N",24205581,NA,"PDBC30281","736190","Present",NA,NA
+"30282","9-Methoxy-6-(3-morpholin-4-ylpropyl)-3-nitroindeno[1,2-c]isoquinoline-5,11-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-9-methoxy-6-(3-morpholino-1-propyl)-3-nitro-...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCOCC5.Cl","OGCVCYXSNQNGPK-UHFFFAOYSA-N",17755737,NA,"PDBC30282","740505","Present",NA,NA
+"30283","9-Methoxy-6-(3-morpholin-4-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-9-methoxy-6-(3-morpholino-1-propyl)-5,11-dio...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCN5CCOCC5.Cl","UPUOWNCVODXIQM-UHFFFAOYSA-N",17755858,NA,"PDBC30283","740646","Present",NA,NA
+"30284","9-Methoxy-6-[4-(dimethylaminoacetyl)piperazino]-11H-indeno[1,2-c]quinoline-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-6-[4-(dimethylaminoacetyl)piperazino]-11H-indeno[1,2-c]quinoline-11-one",NA,"CN(C)CC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC","RBBSVHUIPGZMHB-UHFFFAOYSA-N",24205989,NA,"PDBC30284","737609","Present",NA,NA
+"30285","9-Methoxy-6-[4-[2-(dimethylamino)ethylaminoacetyl]piperazino]-11H-indeno[1,2-c]quinoline-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-6-[4-[2-(dimethylamino)ethylaminoacetyl]piperazino]-11H-indeno[1,2-c]quinoline-11-one",NA,"CN(C)CCNCC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C4=C2C5=C(C4=O)C=C(C=C5)OC","PMUCSJCBCXSQLR-UHFFFAOYSA-N",24205990,NA,"PDBC30285","737610","Present",NA,NA
+"30286","9-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-6a,11a-dihydro-6H-[1]benzofuro[3,2-c]chromene",NA,"COC1=CC2=C(C=C1)C3COC4=CC=CC=C4C3O2","ISNRMYJISDGWTH-UHFFFAOYSA-N",391072,NA,"PDBC30286","689606","Present",NA,NA
+"30287","9-Methoxy-N-(2,3,4-trifluorophenyl)-11-(2,3,4-trifluorophenyl)iminoindeno[1,2-c]quinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxy-N-(2,3,4-trifluorophenyl)-11-(2,3,4-trifluorophenyl)iminoindeno[1,2-c]quinolin-6-amine",NA,"COC1=CC2=C(C=C1)C3=C(C2=NC4=C(C(=C(C=C4)F)F)F)C5=CC=CC=C5N=C3NC6=C(C(=C(C=C6)F)F)F","ODWFMOXMFKYNDS-UHFFFAOYSA-N",24205222,NA,"PDBC30287","734640","Present",NA,NA
+"30288","9-Methoxycamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC176323",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5OC)N=C4C3=C2)O","XVMZDZFTCKLZTF-NRFANRHFSA-N",123617,NA,"PDBC30288","176323","Present",NA,NA
+"30289","9-Methoxyellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methoxyelliptione",NA,"CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C","BKRMCDAOAQWNTG-UHFFFAOYSA-N",72512,NA,"PDBC30289","69187","Present",NA,NA
+"30290","9-Methoxyjulolidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methoxyjulolidine",NA,"COC1=CC2=C3C(=C1)CCCN3CCC2","XFGXXDZMUXGJKA-UHFFFAOYSA-N",201623,NA,"PDBC30290","659200","Present",NA,NA
+"30291","9-Methyl-1-(1-methyl-1H-pyrrol-2-yl)-9H-carbazole-3,4-dicarboxylic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-1-(1-methyl-1H-pyrrol-2-yl)-9H-carbazole-3,4-dicarboxylic acid dimethyl ester",NA,"CN1C=CC=C1C2=CC(=C(C3=C2N(C4=CC=CC=C43)C)C(=O)OC)C(=O)OC","FOJKTOULWDGGGW-UHFFFAOYSA-N",359066,NA,"PDBC30291","619533","Present",NA,NA
+"30292","9-Methyl-11-oxo-N-(1,3-thiazol-2-yl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-11-oxo-N-(1,3-thiazol-2-yl)-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,"CC12CC(C(C(=O)N1)C(=O)NC3=NC=CS3)C4=CC=CC=C4O2","RORFIKIEDJVZJB-UHFFFAOYSA-N",397580,NA,"PDBC30292","705900","Present",NA,NA
+"30293","9-Methyl-11h-isoindolo[2,1-a]benzimidazol-11-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-11h-isoindolo[2,1-a]benzimidazol-11-one",NA,"CC1=C2C(=CC=C1)N=C3N2C(=O)C4=CC=CC=C43","HYFACUNFKHMBOA-UHFFFAOYSA-N",377706,NA,"PDBC30293","659297","Present",NA,NA
+"30294","9-Methyl-12H-benzo[a]phenothiazine 7,7-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-12H-benzo[a]phenothiazine 7,7-dioxide",NA,"CC1=CC2=C(C=C1)NC3=C(S2(=O)=O)C=CC4=CC=CC=C43","QFSBRDSMFVBRBP-UHFFFAOYSA-N",251360,NA,"PDBC30294","71685","Present",NA,NA
+"30295","9-Methyl-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3,5,7,10,12,14,16,18-nonaene-11-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-2,9,13,20-tetrazapentacyclo[10.8.0.02,10.03,8.014,19]icosa-1(20),3,5,7,10,12,14,16,18-nonaene-11-carbonitrile",NA,"CN1C2=CC=CC=C2N3C1=C(C4=NC5=CC=CC=C5N=C43)C#N","SXBCXXISUQUIMY-UHFFFAOYSA-N",375332,NA,"PDBC30295","654906","Present",NA,NA
+"30296","9-Methyl-2-(1-methyl-1H-indol-3-yl)-9H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-2-(1-methyl-1H-indol-3-yl)-9H-carbazole",NA,"CN1C=C(C2=CC=CC=C21)C3=CC4=C(C=C3)C5=CC=CC=C5N4C","BDOGIKCYHCKIKI-UHFFFAOYSA-N",371272,NA,"PDBC30296","645331","Present",NA,NA
+"30297","9-Methyl-2-[4-(1-piperidyl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-2-[4-(1-piperidyl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one",NA,"CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCCCC4","YVZBAVVPVSFSCE-UHFFFAOYSA-N",365676,NA,"PDBC30297","633529","Present",NA,NA
+"30298","9-Methyl-2-[4-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-2-[4-(9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indol-2-yl)butyl]-3,4-dihydropyrido[3,4-b]indol-1-one",NA,"CN1C2=C(CCN(C2)CCCCN3CCC4=C(C3=O)N(C5=CC=CC=C45)C)C6=CC=CC=C61","ITTVONNXYCIBME-UHFFFAOYSA-N",365679,NA,"PDBC30298","633532","Present",NA,NA
+"30299","9-Methyl-3-(2-oxo-2h-chromen-3-yl)-2-oxo-2h,5h-pyrano[3,2-c]chromen-5-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[9-Methyl-2-oxo-3-(2-oxochromen-3-yl)-5H-pyrano[3,2-c]chromen-5-yl] acetate",NA,"CC1=CC2=C(C=C1)OC(C3=C2OC(=O)C(=C3)C4=CC5=CC=CC=C5OC4=O)OC(=O)C","QKQVLEROWQTNDA-UHFFFAOYSA-N",24204079,NA,"PDBC30299","730556","Present",NA,NA
+"30300","9-Methyl-3-phenyl-9,9a-dihydro-3aH-isoxazolo[4,5-b][1,4]benzothiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-3-phenyl-9,9a-dihydro-3aH-isoxazolo[4,5-b][1,4]benzothiazine",NA,"CN1C2C(C(=NO2)C3=CC=CC=C3)SC4=CC=CC=C41","KXRDYSHDFHGPEV-UHFFFAOYSA-N",353038,NA,"PDBC30300","600037","Present",NA,NA
+"30301","9-Methyl-4-(1-methylindol-2-yl)-1,2,3,4-tetrahydrocarbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-4-(1-methylindol-2-yl)-1,2,3,4-tetrahydrocarbazole",NA,"CN1C2=C(C(CCC2)C3=CC4=CC=CC=C4N3C)C5=CC=CC=C51","KYLCCIGFJWPEHU-UHFFFAOYSA-N",372678,NA,"PDBC30301","648211","Present",NA,NA
+"30302","9-Methyl-5-(4-methyl-1-piperazinyl)-N,N-dipropylimidazo[1,2-a][1,8]naphthyridine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-5-(4-methyl-1-piperazinyl)-N,N-dipropylimidazo[1,2-a][1,8]naphthyridine-6-carboxamide",NA,"CCCN(CCC)C(=O)C1=C(C2=C(N=CC=C2)N3C1=NC=C3C)N4CCN(CC4)C","GMDGCIWQQCLCEH-UHFFFAOYSA-N",383770,NA,"PDBC30302","672214","Present",NA,NA
+"30303","9-Methyl-7-(nitromethyl)-1,4-dioxaspiro[4.5]decane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-7-(nitromethyl)-1,4-dioxaspiro[4.5]decane",NA,"CC1CC(CC2(C1)OCCO2)C[N+](=O)[O-]","LWQRTEGTTCEEFE-UHFFFAOYSA-N",359232,NA,"PDBC30303","619941","Present",NA,NA
+"30304","9-Methyl-8,10,11,21-tetrazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(14),2,4,6,9,11,15,17,19-nonaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-8,10,11,21-tetrazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(14),2,4,6,9,11,15,17,19-nonaene",NA,"CC1=NN=C2N1C3=CC=CC=C3C4=C(C2)C5=CC=CC=C5N4","GCHJWNGATAXMSO-UHFFFAOYSA-N",383783,NA,"PDBC30304","672230","Present",NA,NA
+"30305","9-Methyl-8-phenyl-11-thia-9-azatricyclo[6.2.1.01,6]undecan-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-8-phenyl-11-thia-9-azatricyclo[6.2.1.01,6]undecan-10-one",NA,"CN1C(=O)C23CCCCC2CC1(S3)C4=CC=CC=C4","RNLVEIJHXQIWAI-UHFFFAOYSA-N",397456,NA,"PDBC30305","705314","Present",NA,NA
+"30306","9-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-9H-pyrimido[4,5-b]indole-2,4-diol",NA,"CN1C2=CC=CC=C2C3=C1NC(=O)NC3=O","DHIHIHAQJLLCCB-UHFFFAOYSA-N",387238,NA,"PDBC30306","680813","Present",NA,NA
+"30307","9-Methyl-n-propyl-9h-purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methyl-N-propylpurin-6-amine",NA,"CCCNC1=C2C(=NC=N1)N(C=N2)C","KGVDZSITWBPXTJ-UHFFFAOYSA-N",221109,NA,"PDBC30307","4955","Present",NA,NA
+"30308","9-Methylisonoracronycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Methylisonoracronycin",NA,"CC1=CC2=C(C=C1)C(=O)C3=C(C4=C(C=C3N2C)OC(C=C4)(C)C)O","QRAZNGDWFTZHAL-UHFFFAOYSA-N",378825,NA,"PDBC30308","662143","Present",NA,NA
+"30309","9-Methylnaphtho[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphth[1',2':4,5]imidazo[1,2-a]pyridine-5,6-dione, 9-met...",NA,"CC1=CN2C(=NC3=C2C(=O)C(=O)C4=CC=CC=C43)C=C1","CKBXCZFOKKJSQY-UHFFFAOYSA-N",15813981,NA,"PDBC30309","742543","Present",NA,NA
+"30310","9-N(N'-Bis-chloroethyl-N'-1,2-diamino ethyl) 2-methoxy acridine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-N(N'-bis-chloroethyl-N'-1,2-diamino ethyl) 2-methoxy a...",NA,"COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCN(CCCl)CCCl.Cl","VZKJZKHVMSROLI-UHFFFAOYSA-N",363534,NA,"PDBC30310","628497","Present",NA,NA
+"30311","9-N(N'-Chloroethyl-N'-ethyl-1,2-diaminoethyl) 2-methoxyacridine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-N(N'-chloroethyl-N'-ethyl-1,2-diaminoethyl) 2-methoxya...",NA,"CCN(CCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","FFANABCHSHCIBL-UHFFFAOYSA-N",363294,NA,"PDBC30311","628114","Present",NA,NA
+"30312","9-N(N'-Chloroethyl-N'-ethyl-1,5-diaminopentyl)2-methoxy acridine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-N(N'-chloroethyl-N'-ethyl-1,5-diaminopentyl)2-methoxy ...",NA,"CCN(CCCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","YUMWESPEMWTXCI-UHFFFAOYSA-N",364656,NA,"PDBC30312","631199","Present",NA,NA
+"30313","9-N(N'-Chloroethyl-N'-methyl-1,2-diaminoethyl) 2 methoxyacridine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-N(N'-chloroethyl-N'-methyl-1,2-diaminoethyl) 2 methoxy...",NA,"CN(CCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","JOFUHIIGPYBWPF-UHFFFAOYSA-N",363295,NA,"PDBC30313","628115","Present",NA,NA
+"30314","9-N(N'-Chloroethyl-N'-methyl-1,4-diaminobutyl) 2-methoxy acridine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-N(N'-chloroethyl-N'-methyl-1,4-diaminobutyl) 2-methoxy...",NA,"CN(CCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","KYKXHUUWDMKXGS-UHFFFAOYSA-N",363536,NA,"PDBC30314","628498","Present",NA,NA
+"30315","9-N-(N'-Bis-chloroethyl-N-1,4-diaminobutyl)2-methoxyacridine-dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-N-(N'-bis-chloroethyl-N-1,4-diaminobutyl)2-methoxyacri...",NA,"COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCN(CCCl)CCCl.Cl","YVWRGOMOEQUYTB-UHFFFAOYSA-N",366819,NA,"PDBC30315","635591","Present",NA,NA
+"30316","9-N-(N'-Bis-chloroethyl-N-1,5-diaminopentyl)-2-methoxyacridine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-N-(N'-bis-chloroethyl-N-1,5-diaminopentyl)-2-methoxy a...",NA,"COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCCN(CCCl)CCCl.Cl","YYVDHCIORLGSGC-UHFFFAOYSA-N",367421,NA,"PDBC30316","637140","Present",NA,NA
+"30317","9-N-(N'-Bis-chloroethyl-N-1,6-diaminohexyl)-2-methoxyacridine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-N-(N'-Bis-chloroethyl-N-1,6-diaminohexyl)-2- methoxyac...",NA,"COC1=CC2=C(C3=CC=CC=C3N=C2C=C1)NCCCCCCN(CCCl)CCCl.Cl","KONWNHRGXQVVDZ-UHFFFAOYSA-N",363887,NA,"PDBC30317","629266","Present",NA,NA
+"30318","9-N-(N'-Chloroethyl-N'-1, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-N-(N'-chloroethyl-N'-1,6-diaminohexyl) 2-methoxyacridi...",NA,"CN(CCCCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","JCFOTJWSJNVBLG-UHFFFAOYSA-N",365734,NA,"PDBC30318","633685","Present",NA,NA
+"30319","9-N-(N'-Chloroethyl-N'-ethyl-1,4-diamino-butyl)2-methoxy acridine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-N-(N'-chloroethyl-N'-ethyl-1,4-diamino-butyl)2-methoxy...",NA,"CCN(CCCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","IUYGRRZDUIAIQJ-UHFFFAOYSA-N",364652,NA,"PDBC30319","631197","Present",NA,NA
+"30320","9-Nitro-10-methoxy-20(S)-camptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Nitro-10-methoxy-20(S)-camptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5[N+](=O)[O-])OC)N=C4C3=C2)O","OYYBCAZAGJZTCD-NRFANRHFSA-N",9549071,NA,"PDBC30320","603074","Present",NA,NA
+"30321","9-Nitro-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Nitro-11-oxo-2-(trifluoromethyl)-5H-benzimidazolo[1,2-b]isoquinoline-6-carbonitrile",NA,"C1=CC2=C(C=C1C(F)(F)F)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N)N2","HEJZOCHMLCBRJM-UHFFFAOYSA-N",391669,NA,"PDBC30321","691211","Present",NA,NA
+"30322","9-Nitro-11-oxo-2-(trifluoromethyl)-[1,3]benzothiazolo[3,2-b]isoquinoline-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Nitro-11-oxo-2-(trifluoromethyl)isoquinolino[3,2-b][1,3]benzothiazole-6-carbonitrile",NA,"C1=CC2=C(C=C1C(F)(F)F)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N)S2","SXFYPFFQFJKEKK-UHFFFAOYSA-N",395231,NA,"PDBC30322","699706","Present",NA,NA
+"30323","9-Nitro-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylic acid",NA,"C1CC2=C(C=CC3=C2C(=C(O3)C(=O)O)C1)[N+](=O)[O-]","MYYIPSBHCWZHEN-UHFFFAOYSA-N",360480,NA,"PDBC30323","622614","Present",NA,NA
+"30324","9-Nitrobenzo[b][1,6]naphthyridine-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Nitrobenzo[b][1,6]naphthyridine-6-carboxylic acid",NA,"C1=CC(=C2C=C3C=NC=CC3=NC2=C1C(=O)O)[N+](=O)[O-]","XJQUAJBNMDPNCH-UHFFFAOYSA-N",383234,NA,"PDBC30324","671349","Present",NA,NA
+"30325","9-Nitrosocarbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Nitrosocarbazole",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3N2N=O","XPKSVCWBMBPUPE-UHFFFAOYSA-N",17743,NA,"PDBC30325","6280","Present",NA,NA
+"30326","9-O-Demethylhomolycorine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-O-Demethylhomolycorine",NA,"CN1CCC2=CCC3C(C21)C4=CC(=C(C=C4C(=O)O3)O)OC","VLDOBKJPRUQEEC-FVQBIDKESA-N",388787,NA,"PDBC30326","683872","Present",NA,NA
+"30327","9-Oxa-3,4-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11,13,15,17-heptaene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Oxa-3,4-diazatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11,13,15,17-heptaene",NA,"C1COC2=C(C=CC3=CC=CC=C32)C4=C1C=NN4","PHKMOBUCVYSAGG-UHFFFAOYSA-N",360370,NA,"PDBC30327","622431","Present",NA,NA
+"30328","9-Oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazoline-1alpha-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(1s)-9-oxo-2,3-dihydro-1h-pyrrolo[5,1-b]quinazoline-1-carboxylate",NA,"COC(=O)C1CCC2=NC3=CC=CC=C3C(=O)N12","FNEYIMUNHUFXQO-JTQLQIEISA-N",397067,NA,"PDBC30328","704374","Present",NA,NA
+"30329","9-Oxo-2,3-diphenyl-10H-acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Oxo-2,3-diphenyl-10H-acridine-4-carboxamide",NA,"C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C(=O)C4=CC=CC=C4N3)C(=O)N)C5=CC=CC=C5","FXFYQDVEEFEZDV-UHFFFAOYSA-N",364127,NA,"PDBC30329","629797","Present",NA,NA
+"30330","9-Oxo-9H-thioxanthene-3-carboxamide 10,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Oxo-9H-thioxanthene-3-carboxamide10,10-dioxide",NA,"C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)N","NECFGXHWUOZZSE-UHFFFAOYSA-N",390891,NA,"PDBC30330","689002","Present",NA,NA
+"30331","9-Pentyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Pentyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,"CCCCCC1C2C(=O)NC(=O)C1C(=O)NC2=O","DODAXCAKNXTCLD-UHFFFAOYSA-N",367029,NA,"PDBC30331","636356","Present",NA,NA
+"30332","9-Phenoxyacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridine, 9-phenoxy-",NA,"C1=CC=C(C=C1)OC2=C3C=CC=CC3=NC4=CC=CC=C42","MFCLDPQGJMEEBE-UHFFFAOYSA-N",100640,NA,"PDBC30332","337974","Present",NA,NA
+"30333","9-Phenoxyellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Phenoxyellipticine",NA,"CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC5=CC=CC=C5)C","KWBOFSPIWPBYEG-UHFFFAOYSA-N",373619,NA,"PDBC30333","650267","Present",NA,NA
+"30334","9-Phenyl-2-(2-pyridinylamino)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Phenyl-2-(2-pyridinylamino)-2,3-dihydro-1H-pyrrolo[3,4-b]quinolin-1-one",NA,"C1C2=NC3=CC=CC=C3C(=C2C(=O)N1NC4=CC=CC=N4)C5=CC=CC=C5","IHVCHYSBJJENRE-UHFFFAOYSA-N",372627,NA,"PDBC30334","648072","Present",NA,NA
+"30335","9-Phenyl-4a,9,9a,10-tetrahydro-1,4-anthracenedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Phenyl-4a,9,9a,10-tetrahydro-1,4-anthracenedione",NA,"C1C2C(C(C3=CC=CC=C31)C4=CC=CC=C4)C(=O)C=CC2=O","QNBAWRLRUSCAMO-UHFFFAOYSA-N",363873,NA,"PDBC30335","629164","Present",NA,NA
+"30336","9-Phenyl-9-(1H-pyrrol-3-yl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Phenyl-9-(1H-pyrrol-3-yl)-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone",NA,"C1=CC=C(C=C1)C2(C3C(=O)NC(=O)C2C(=O)NC3=O)C4=CNC=C4","TWHFTNITACZCCD-UHFFFAOYSA-N",367026,NA,"PDBC30336","636353","Present",NA,NA
+"30337","9-Phenyl-9-phosphabicyclo[4.2.1]nona-2,4,7-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Phenyl-9-phosphabicyclo[4.2.1]nona-2,4,7-triene",NA,"C1=CC=C(C=C1)P2C3C=CC=CC2C=C3","VMJOBMHRAPELBO-UHFFFAOYSA-N",386462,NA,"PDBC30337","678491","Present",NA,NA
+"30338","9-Phenyl-9h-purine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000118",NA,"C1=CC=C(C=C1)N2C=NC3=C(N=C(N=C32)N)N","FWVWGDOXXJFICO-UHFFFAOYSA-N",231430,NA,"PDBC30338","27613","Present",NA,NA
+"30339","9-Phenylfuro[3,4-b]quinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Phenylfuro[3,4-b]quinoline-1,3-dione",NA,"C1=CC=C(C=C1)C2=C3C(=NC4=CC=CC=C42)C(=O)OC3=O","YGMDAMKEDDXTNJ-UHFFFAOYSA-N",363562,NA,"PDBC30339","628526","Present",NA,NA
+"30340","9-Phenylpurine-2,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC29603",NA,"C1=CC=C(C=C1)N2C=NC3=C(N=C(N=C32)N)N.Cl","WSGHSKKNGGRUBT-UHFFFAOYSA-N",54609373,NA,"PDBC30340","29603","Present",NA,NA
+"30341","9-Spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-naphthalene]-1'-ylacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-naphthalene]-1'-ylacridine",NA,"C1CC2(CC3=C1C=CC=C3C4=C5C=CC=CC5=NC6=CC=CC=C64)OCCO2","XBVXJUKNZXNVRB-UHFFFAOYSA-N",395726,NA,"PDBC30341","700525","Present",NA,NA
+"30342","9-Succinamido-20(RS)-camptothecin, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Succinamido-20(RS)-camptothecin, sodium salt",NA,NA,NA,NA,NA,"PDBC30342","620258","Present",NA,NA
+"30343","9-Tert-butyl-16-methoxy-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-16-methoxy-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OC)C(=O)N(C3=O)C6=CC=C(C=C6)OC","KQVANQKWTJFGRI-UHFFFAOYSA-N",373635,NA,"PDBC30343","650355","Present",NA,NA
+"30344","9-Tert-butyl-4-(2-methoxy-4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(2-methoxy-4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=C(C=C(C=C6)[N+](=O)[O-])OC","KJUKQSBCDHJAIR-UHFFFAOYSA-N",381761,NA,"PDBC30344","668833","Present",NA,NA
+"30345","9-Tert-butyl-4-(2-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(2-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6[N+](=O)[O-]","SCFFICSANODMCT-UHFFFAOYSA-N",381760,NA,"PDBC30345","668832","Present",NA,NA
+"30346","9-Tert-butyl-4-(3-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(3-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=CC=C6)[N+](=O)[O-]","VXTVSKBDSNWWFW-UHFFFAOYSA-N",395262,NA,"PDBC30346","699740","Present",NA,NA
+"30347","9-Tert-butyl-4-(4-methoxyphenyl)-16-nitro-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-methoxyphenyl)-16-nitro-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)[N+](=O)[O-])C(=O)N(C3=O)C6=CC=C(C=C6)OC","DGKFVZWKJNAMFW-UHFFFAOYSA-N",376308,NA,"PDBC30347","657023","Present",NA,NA
+"30348","9-Tert-butyl-4-(4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-nitrophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)[N+](=O)[O-]","DZQLBFSYEPOYJZ-UHFFFAOYSA-N",381785,NA,"PDBC30348","668851","Present",NA,NA
+"30349","9-Tert-butyl-4-(9,10-dioxoanthracen-2-yl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl-(9,10-dioxo-2-anthryl)[?]dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC7=C(C=C6)C(=O)C8=CC=CC=C8C7=O","CCBWYYKVKJXQCW-UHFFFAOYSA-N",379247,NA,"PDBC30349","663661","Present",NA,NA
+"30350","9-Tert-butyl-4-methyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-4lambda4-telluratricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-methyl-2,2,6,6-tetrakis(trifluoromethyl)-3,5-dioxa-4lambda4-telluratricyclo[5.3.1.04,11]undeca-1(10),7(11),8-triene",NA,"CC(C)(C)C1=CC2=C3C(=C1)C(O[Te]3(OC2(C(F)(F)F)C(F)(F)F)C)(C(F)(F)F)C(F)(F)F","VBQHBFFAWQHHOW-UHFFFAOYSA-N",371283,NA,"PDBC30350","645360","Present",NA,NA
+"30351","9-Thia-2,3,4,5,11-pentazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Thia-2,3,4,5,11-pentazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaen-12-one",NA,"C1C2C3=NN=NN3C4=CC=CC=C4C(=O)N2CS1","GGTVZZNFFNNZHY-UHFFFAOYSA-N",388505,NA,"PDBC30351","683490","Present",NA,NA
+"30352","9-Thiabicyclo[3.3.1]nonane-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Thiabicyclo[3.3.1]nonane-2,6-dione",NA,"C1CC(=O)C2CCC(=O)C1S2","ZFSYGTMUGOONON-UHFFFAOYSA-N",394470,NA,"PDBC30352","697943","Present",NA,NA
+"30353","9-Thio-5,10-dideazafolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Thio-5,10-dideazafolic acid",NA,"C1=CC(=CC=C1CSC2=CC3=C(N=C2)N=C(NC3=O)N)C(=O)NC(CCC(=O)O)C(=O)O","DCYDHFXMHVUOJO-UHFFFAOYSA-N",135426732,NA,"PDBC30353","713077","Present",NA,NA
+"30354","9-[(2E)-2-(4-Chlorophenyl)-2-hydroxyiminoethoxy]chromeno[3,4-b]chromene-6,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[(2E)-2-(4-Chlorophenyl)-2-hydroxyiminoethoxy]chromeno[3,4-b]chromene-6,12-dione",NA,"C1=CC=C2C(=C1)C3=C(C(=O)O2)OC4=C(C3=O)C=CC(=C4)OCC(=NO)C5=CC=C(C=C5)Cl","JZRBAKFQJKBJKQ-ITYLOYPMSA-N",9572588,NA,"PDBC30354","721045","Present",NA,NA
+"30355","9-[(4-Nitro-2-methylphenyl)thio]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[(2-Methyl-4-nitrophenyl)sulfanyl]acridine",NA,"CC1=C(C=CC(=C1)[N+](=O)[O-])SC2=C3C=CC=CC3=NC4=CC=CC=C42","XWCVMPHRGQINTD-UHFFFAOYSA-N",371162,NA,"PDBC30355","645163","Present",NA,NA
+"30356","9-[(4-Nitrophenyl)methylsulfanyl]acridin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acridineamine, 9-[[(4-nitrophenyl)methyl]thio]-",NA,"C1=CC=C2C(=C1)C(=C3C=CC(=CC3=N2)N)SCC4=CC=C(C=C4)[N+](=O)[O-]","AVIAVVISMHVVAC-UHFFFAOYSA-N",371147,NA,"PDBC30356","645151","Present",NA,NA
+"30357","9-[(4-Nitrophenyl)methylsulfanyl]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[(4-Nitrophenyl)methylsulfanyl]acridine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SCC4=CC=C(C=C4)[N+](=O)[O-]","XRDHPTAGFMXWFV-UHFFFAOYSA-N",395398,NA,"PDBC30357","699934","Present",NA,NA
+"30358","9-[(5-Nitro-2-pyridyl)sulfanyl]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[(5-Nitro-2-pyridyl)sulfanyl]acridine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=NC=C(C=C4)[N+](=O)[O-]","XEKOLQDJUMNOGB-UHFFFAOYSA-N",353206,NA,"PDBC30358","600758","Present",NA,NA
+"30359","9-[(6-Nitro-3-pyridyl)sulfanyl]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[(6-Nitro-3-pyridyl)sulfanyl]acridine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SC4=CN=C(C=C4)[N+](=O)[O-]","QTKORYOEJIXOSL-UHFFFAOYSA-N",353415,NA,"PDBC30359","601518","Present",NA,NA
+"30360","9-[(E)-2,3-Dibromo-4-chlorobut-2-enyl]-6-methoxypurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[(E)-2,3-Dibromo-4-chlorobut-2-enyl]-6-methoxypurine",NA,"COC1=NC=NC2=C1N=CN2CC(=C(CCl)Br)Br","VGOHKQDSXBLUFR-VOTSOKGWSA-N",60147870,NA,"PDBC30360","752707","Present",NA,NA
+"30361","9-[(Z)-Bromoiodomethylidene]-9,10-dihydrophenanthrene-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[(Z)-Bromoiodomethylidene]-9,10-dihydrophenanthrene-10...",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=O)C2=C(Br)I","LCNOYWWCZYMTFN-SQFISAMPSA-N",3005079,NA,"PDBC30361","670789","Present",NA,NA
+"30362","9-[2,2-Bis(phenylsulfanyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2,2-Bis(phenylsulfanyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-one",NA,"C1CC2(CC(C1=O)CC(SC3=CC=CC=C3)SC4=CC=CC=C4)OCCO2","YDCZXBQZJYNXQQ-UHFFFAOYSA-N",394588,NA,"PDBC30362","698168","Present",NA,NA
+"30363","9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-hydroxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one",NA,"CC1=CC=C(N1C2=CC=CC=C2C3C=CN4C5=C3C(=C(C(=C5OC4=O)OC(C)C)OC(C)C)O)C","UGEGFQOQXXVKQD-UHFFFAOYSA-N",389261,NA,"PDBC30363","685014","Present",NA,NA
+"30364","9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-methoxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-(2,5-Dimethylpyrrol-1-yl)phenyl]-7-methoxy-5,6-di(propan-2-yloxy)-3-oxa-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),10-tetraen-2-one",NA,"CC1=CC=C(N1C2=CC=CC=C2C3C=CN4C5=C3C(=C(C(=C5OC4=O)OC(C)C)OC(C)C)OC)C","SQDBJFZSESMJDJ-UHFFFAOYSA-N",389262,NA,"PDBC30364","685015","Present",NA,NA
+"30365","9-[2-(2-Pyrrolidin-1-ylethoxy)ethyl]-1,2,3,4-tetrahydrocarbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-(2-Pyrrolidin-1-ylethoxy)ethyl]-1,2,3,4-tetrahydrocarbazole",NA,"C1CCC2=C(C1)C3=CC=CC=C3N2CCOCCN4CCCC4","XZNMTJWNOCWEPU-UHFFFAOYSA-N",382632,NA,"PDBC30365","670273","Present",NA,NA
+"30366","9-[2-(3,4-Dimethoxyphenyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-(3,4-Dimethoxyphenyl)ethyl]-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one",NA,"COC1=C(C=C(C=C1)CCN2CC3=C(C=CC4=C3OC(=O)C=C4)OC2)OC","WPBXJNNEXGBFMS-UHFFFAOYSA-N",291302,NA,"PDBC30366","156319","Present",NA,NA
+"30367","9-[2-(Benzenesulfinyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-(Benzenesulfinyl)ethyl]-1,4-dioxaspiro[4.5]decan-8-one",NA,"C1CC2(CC(C1=O)CCS(=O)C3=CC=CC=C3)OCCO2","LQCLCMHZLROSCH-UHFFFAOYSA-N",394593,NA,"PDBC30367","698173","Present",NA,NA
+"30368","9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-1H-purin-6-one;propan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-fluoro-1H-purin-6-one;propan-2-one",NA,"CC(=O)C.C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)F","XZWITDBHXYQIOF-UHFFFAOYSA-N",135509484,NA,"PDBC30368","95947","Present",NA,NA
+"30369","9-[3-(2-Hydroxyethylamino)propyl]-14-methoxy-4,9,12-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-8,17-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-((2-hydroxyethyl)amino)propyl)-9-methoxy-5H-pyrido[...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=CN=C4)C(=O)N3CCCNCCO)N=C1","KMHWJWLEIZCOJO-UHFFFAOYSA-N",155807554,NA,"PDBC30369","780895","Present",NA,NA
+"30370","9-[3-(2-Nitroamidazol-1-yl)propyl]amino-1-nitroacridine.HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[3-(2-Nitroamidazol-1-yl)propyl]amino-1-nitroacridine.HCl",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCN4C=CN=C4[N+](=O)[O-].Cl","XEGWFTABWZJOJE-UHFFFAOYSA-N",385364,NA,"PDBC30370","676514","Present",NA,NA
+"30371","9-[3-[N-(2-N,N-Dimethylamino)ethyl]aminopropyl]amino-1-nitroacridine.3HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[3-[N-(2-N,N-Dimethylamino)ethyl]aminopropyl]amino- 1-...",NA,"CN(C)CCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","XFGYCQUGYZLJMZ-UHFFFAOYSA-N",384653,NA,"PDBC30371","674699","Present",NA,NA
+"30372","9-[4-(4-Methylphenoxy)-5-[(4-methylphenoxy)methyl]tetrahydrofuran-2-yl]-2,6-bis(methylsulfanyl)purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-(4-Methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-2,6-bis(methylsulfanyl)purine",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=C(N=C4SC)SC)OC5=CC=C(C=C5)C","XHBYTQHTEKKITM-UHFFFAOYSA-N",389538,NA,"PDBC30372","685836","Present",NA,NA
+"30373","9-[4-(Azidomethyl)-3,6-dioxabicyclo[3.1.0]hex-2-yl]purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-(Azidomethyl)-3,6-dioxabicyclo[3.1.0]hex-2-yl]purin-6-amine",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C4C(O4)C(O3)CN=[N+]=[N-])N","UOZMKJZGCQCPNO-UHFFFAOYSA-N",3580552,NA,"PDBC30373","125626","Present",NA,NA
+"30374","9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-(Diaminomethylideneamino)sulfonylanilino]-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC(CO)(CO)CO)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","VRMZLORNOCRNNI-UHFFFAOYSA-N",384532,NA,"PDBC30374","674503","Present",NA,NA
+"30375","9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[4-(carbamimidoylsulfamoyl)phenyl]acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","DEBXZHWGHCFIKI-UHFFFAOYSA-N",365397,NA,"PDBC30375","633017","Present",NA,NA
+"30376","9-[4-(Carbamimidoylsulfamoyl)anilino]-N-[4-[(5-methylisoxazol-3-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, 9-[[4-[[(aminoiminomethyl)amino] ...",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","AWZDZFOMDYLKQA-UHFFFAOYSA-N",365416,NA,"PDBC30376","633036","Present",NA,NA
+"30377","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(2-hydroxyethyl)acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCO)C","FGLYLAFLVHXJAK-UHFFFAOYSA-N",384527,NA,"PDBC30377","674498","Present",NA,NA
+"30378","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-2-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)C","DCBWYWAFMKJOMT-UHFFFAOYSA-N",385762,NA,"PDBC30378","677156","Present",NA,NA
+"30379","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)C","BSBVXUAFNPGDIJ-UHFFFAOYSA-N",365407,NA,"PDBC30379","633027","Present",NA,NA
+"30380","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)C","WKWUXCFWIAXSJG-UHFFFAOYSA-N",385750,NA,"PDBC30380","677144","Present",NA,NA
+"30381","9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)C","XJOBISNIGXZTNX-UHFFFAOYSA-N",365398,NA,"PDBC30381","633018","Present",NA,NA
+"30382","9-[4-[(4-Methylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(4-Methylpyrimidin-2-yl)sulfamoyl]anilino]-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-2-carboxamide",NA,"CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)NC7=NC=CC(=N7)C","CARZYUMVCASIRI-UHFFFAOYSA-N",385749,NA,"PDBC30382","677143","Present",NA,NA
+"30383","9-[5-(Azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-2-(4-butylanilino)purin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[5-(Azidomethyl)-4-hydroxy-tetrahydrofuran-2-yl]-2-(4-butylanilino)purin-6-ol",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3C4CC(C(O4)CN=[N+]=[N-])O","LFJHCRIDEWWIKI-UHFFFAOYSA-N",135489801,NA,"PDBC30383","677294","Present",NA,NA
+"30384","9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one",NA,"CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C2N=CNC3=O)O","GHCYFLRPIRMTTP-UHFFFAOYSA-N",135455525,NA,"PDBC30384","613005","Present",NA,NA
+"30385","9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxycarbothioyloxyoxolan-2-yl]-1H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-methoxycarbothioyloxyoxolan-2-yl]-1H-purin-6-one",NA,"CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C2N=CNC3=O)OC(=S)OC","AKHWATRAUQBPHS-UHFFFAOYSA-N",135455526,NA,"PDBC30385","613007","Present",NA,NA
+"30386","9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1H-purin-6-one",NA,"CC(C)(C)[Si](C)(C)OCC1CCC(O1)N2C=NC3=C2N=CNC3=O","UBDRNBJBRQIQCA-UHFFFAOYSA-N",135455527,NA,"PDBC30386","613008","Present",NA,NA
+"30387","9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]purin-6-amine",NA,"CC(C)(C)[Si](C)(C)OCC1CCC(O1)N2C=NC3=C(N=CN=C32)N","KGDNLTOAOQTVGA-UHFFFAOYSA-N",357470,NA,"PDBC30387","616355","Present",NA,NA
+"30388","9-[[(3S,17R)-17-[(2R)-6-Methylheptan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[[(3S,17R)-17-[(2R)-6-Methylheptan-2-yl]-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]acridine",NA,"CC(C)CCCC(C)C1CCC2C1CCC3C2CC=C4C3CCC(C4)OC5=C6C=CC=CC6=NC7=CC=CC=C75","UDGZRHHAXFNOBQ-RHKTUCHUSA-N",397511,NA,"PDBC30388","705637","Present",NA,NA
+"30389","9-[[2-(Chloromethyl)phenyl]methyl]-6-[[2-(chloromethyl)phenyl]methylsulfanyl]-3,6-dihydropurin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[[2-(Chloromethyl)phenyl]methyl]-6-[[2-(chloromethyl)phenyl]methylsulfanyl]-3,6-dihydropurin-2-amine",NA,"C1=CC=C(C(=C1)CN2C=NC3=C2NC(=NC3SCC4=CC=CC=C4CCl)N)CCl","BBAKRSPPSUBYOP-UHFFFAOYSA-N",60147779,NA,"PDBC30389","752411","Present",NA,NA
+"30390","9-[[2-(Chloromethyl)phenyl]methyl]purine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-(Chloromethyl)benzyl]-9h-purine-2,6-diamine",NA,"C1=CC=C(C(=C1)CN2C=NC3=C(N=C(N=C32)N)N)CCl","KQODSXNWVOCPPB-UHFFFAOYSA-N",405763,NA,"PDBC30390","723384","Present",NA,NA
+"30391","9-alpha-Acetoxyparthenolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-.alpha.-Acetoxyparthenolide",NA,"CC1=CCCC2(C(O2)C3C(CC1OC(=O)C)C(=C)C(=O)O3)C","QMKVWBGFFNUWNW-NVOWOJSYSA-N",54611286,NA,"PDBC30391","672116","Present",NA,NA
+"30392","9-alpha-Hydroxyparthenolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-hydroxyparthenolide",NA,"CC1=CCCC2(C(O2)C3C(CC1O)C(=C)C(=O)O3)C","RZUCCKARTVHQBW-YVMONPNESA-N",5477074,NA,"PDBC30392","290497","Present",NA,NA
+"30393","9-alpha-L-Talopyranosyl adenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-.alpha.-L-Talopyranosyl adenine",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(C(O3)CO)O)O)O)N","PAECLWKKOWTEJJ-UHFFFAOYSA-N",240186,NA,"PDBC30393","676445","Present",NA,NA
+"30394","9-beta-Hydroxyparthenolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-.beta.-Hydroxyparthenolide",NA,"CC1=CCCC2(C(O2)C3C(CC1O)C(=C)C(=O)O3)C","RZUCCKARTVHQBW-YHTVCFCTSA-N",54608179,NA,"PDBC30394","672115","Present",NA,NA
+"30395","9-chloropaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-chloropaullone",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Cl","OKMGGPIYQLLQFZ-UHFFFAOYSA-N",383785,NA,"PDBC30395","672232","Present",NA,NA
+"30396","9-cyclohexylmethyl-7-cyclohexylmethoxy-2-benzyl-1-methyl...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-cyclohexylmethyl-7-cyclohexylmethoxy-2-benzyl-1-methyl...",NA,"CC1=[N+](C=CC2=C1N(C3=C2C=CC(=C3)OCC4CCCCC4)CC5CCCCC5)CC6=CC=CC=C6","NWWVNIWMOOTFSC-UHFFFAOYSA-N",54766893,NA,"PDBC30396","760182","Present",NA,NA
+"30397","9-ethyl-3-(4-methylnaphthalene-1-carbonyl)-9H-carbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-ethyl-3-(4-methylnaphthalene-1-carbonyl)-9H-carbazole",NA,"CCN1C2=C(C=C(C=C2)C(=O)C3=CC=C(C4=CC=CC=C43)C)C5=CC=CC=C51","JHYURZUKNMASQT-UHFFFAOYSA-N",56651693,NA,"PDBC30397","781590","Present",NA,NA
+"30398","9-fluoropaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-fluoropaullone",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)F","NNDLCXNIMGREEF-UHFFFAOYSA-N",385070,NA,"PDBC30398","675996","Present",NA,NA
+"30399","9-hydroxy-2-(2-piperidinylethyl)ellipticinium acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-hydroxy-2-(2-piperidinylethyl)ellipticinium acetate",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)CCN5CCCCC5.CC(=O)[O-]","KCZFREYKTLNWQR-UHFFFAOYSA-N",3086132,NA,"PDBC30399","311153","Present",NA,NA
+"30400","9-methoxy-2-methylellipticinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-methoxy-2-methylellipticinium iodide",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C)C.[I-]","UMHIZUSDRRRZIC-UHFFFAOYSA-N",3086380,NA,"PDBC30400","155693","Present",NA,NA
+"30401","9-methoxypaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-methoxypaullone",NA,"COC1=CC2=C(C=C1)NC3=C2CC(=O)NC4=CC=CC=C43","XOAKRYSSJJAKLL-UHFFFAOYSA-N",385068,NA,"PDBC30401","675994","Present",NA,NA
+"30402","9-methylellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-methylellipticine",NA,"CC1=CC2=C(C=C1)NC3=C2C(=C4C=NC=CC4=C3C)C","BYHFFXRDZVPQCW-UHFFFAOYSA-N",97082,NA,"PDBC30402","98949","Present",NA,NA
+"30403","9-methylpaullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-methylpaullone",NA,"CC1=CC2=C(C=C1)NC3=C2CC(=O)NC4=CC=CC=C43","FDMHWATUIRUWOF-UHFFFAOYSA-N",385069,NA,"PDBC30403","675995","Present",NA,NA
+"30404","9-morpholinylmethyl-S6-acetyloxymethyl-6-mercaptopurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-morpholinylmethyl-S6-acetyloxymethyl-6-mercaptopurine",NA,"CC(=O)OCSC1=NC=NC2=C1N=CN2CN3CCOCC3","JFRCSXJCJMYMNX-UHFFFAOYSA-N",372422,NA,"PDBC30404","647471","Present",NA,NA
+"30405","91950Y0JY3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"91950Y0JY3",NA,"CC(C)N1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","GPCOFUCNWMIGSE-UHFFFAOYSA-N",334475,NA,"PDBC30405","339706","Present",NA,NA
+"30406","9A-O-Methyl-oxymitrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9A-O-Methyl-oxymitrone",NA,"COC12CC3=CC=CC=C3OC1(CC(=O)C(=C(C=CC4=CC=CC=C4)O)C2=O)OC","DTOFGOYMLFWLBI-XAHDHBNSSA-N",5459182,NA,"PDBC30406","640229","Present",NA,NA
+"30407","9H-Carbazole, 1,8-dichloro-3,6-dinitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q2806562",NA,"C1=C(C=C(C2=C1C3=C(N2)C(=CC(=C3)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-]","YNBOZNTWWGDDLF-UHFFFAOYSA-N",225968,NA,"PDBC30407","15886","Present",NA,NA
+"30408","9H-Fluoren-9-one, 2,3-dinitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Compound 133896",NA,"C1=CC=C2C(=C1)C3=CC(=C(C=C3C2=O)[N+](=O)[O-])[N+](=O)[O-]","BTCGQAJWZRCLRP-UHFFFAOYSA-N",281255,NA,"PDBC30408","133896","Present",NA,NA
+"30409","9H-Fluoren-9-ylmethyl 2-((1-((2-(((2-amino-2-oxoethyl)amino)carbonyl)-1-pyrrolidinyl)carbonyl)-5-((tert-butoxycarbonyl)amino)pentyl)amino)-1-(1H-indol-3-ylmethyl)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-6-oxohexyl]carbamate",NA,"CC(C)(C)OC(=O)NCCCCC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46","HGEAPJQFWJZLFY-UHFFFAOYSA-N",383819,NA,"PDBC30409","672435","Present",NA,NA
+"30410","9H-Fluoren-9-ylmethyl N-[(13R)-7-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidine-1-carbonyl]-10-(1H-indol-3-ylmethyl)-9,12,16-trioxo-1-oxa-2,8,11-triazacyclohexadec-13-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Fluoren-9-ylmethyl N-[(13R)-7-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidine-1-carbonyl]-10-(1H-indol-3-ylmethyl)-9,12,16-trioxo-1-oxa-2,8,11-triazacyclohexadec-13-yl]carbamate",NA,"C1CCNOC(=O)CCC(C(=O)NC(C(=O)NC(C1)C(=O)N2CCCC2C(=O)NCC(=O)N)CC3=CNC4=CC=CC=C43)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57","SILIGTWWNBSTBB-SGFCCVKTSA-N",383817,NA,"PDBC30410","672433","Present",NA,NA
+"30411","9H-Fluorene, 9-(dinitromethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Fluorene, 9-(dinitromethylene)-",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C2=C([N+](=O)[O-])[N+](=O)[O-]","LXCXLWVHPCFEEP-UHFFFAOYSA-N",363698,NA,"PDBC30411","628813","Present",NA,NA
+"30412","9H-Furo[2,3-b]pyrido[4,3,2-mn]acridine-11-carboxylic acid, 9-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-oxo-6-oxa-9,19-diazapentacyclo[10.7.1.03,7.08,20.013,18]icosa-1(19),3(7),4,8,10,12(20),13,15,17-nonaene-5-carboxylate",NA,"COC(=O)C1=CC2=C(O1)C3=NC=CC4=C3C(=NC5=CC=CC=C45)C2=O","GLQGTGZBHNQVDM-UHFFFAOYSA-N",46854647,NA,"PDBC30412","718544","Present",NA,NA
+"30413","9H-Naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-9-one",NA,"C1=CC=C2C(=C1)C=CC3=C2N4C(=NC(=O)C=N4)S3","IUGGVWUPRRPKOD-UHFFFAOYSA-N",364996,NA,"PDBC30413","631905","Present",NA,NA
+"30414","9H-Naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazine-9,10(11H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Naphtho[1',2':4,5]thiazolo[3,2-b]-1,2,4-triazine- 9,1...",NA,"C1=CC=C2C(=C1)C=CC3=C2N4C(=NC(=O)C(=O)N4)S3","OYHBAMIZNDHXLH-UHFFFAOYSA-N",361467,NA,"PDBC30414","624494","Present",NA,NA
+"30415","9H-Purin-2-amine, 6-[(4-chloro-2-butyn-1-yl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purin-2-amine, 6-[(4-chloro-2-butyn-1-yl)thio]-",NA,"C1=NC2=C(N1)C(=NC(=N2)N)SCC#CCCl","JVYUOATYPBSZDW-UHFFFAOYSA-N",60148215,NA,"PDBC30415","754008","Present",NA,NA
+"30416","9H-Purin-2-amine, 6-chloro-9-[[2-(chloromethyl)phenyl]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purin-2-amine, 6-chloro-9-[[2-(chloromethyl)phenyl]methyl]-",NA,"C1=CC=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)CCl","BISIUVWWBLFLPM-UHFFFAOYSA-N",405757,NA,"PDBC30416","723378","Present",NA,NA
+"30417","9H-Purin-2-amine, 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purin-2-amine, 6-chloro-9-[[3-(chloromethyl)phenyl]methyl]-",NA,"C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=C(N=C3Cl)N","CRJPPMBLJPQYAL-UHFFFAOYSA-N",405759,NA,"PDBC30417","723380","Present",NA,NA
+"30418","9H-Purin-2-amine, 6-chloro-9-[[4-(chloromethyl)phenyl]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purin-2-amine, 6-chloro-9-[[4-(chloromethyl)phenyl]methyl]-",NA,"C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)N)CCl","MRUQZDOMMZBNAW-UHFFFAOYSA-N",405761,NA,"PDBC30418","723382","Present",NA,NA
+"30419","9H-Purin-2-amine, 9-(2-deoxy-alpha-D-erythro-pentofuranosyl)-6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purin-2-amine, 9-(2-deoxy-.beta.-D-erythro-pentofuran...",NA,"CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4CC(C(O4)CO)O)N)[N+](=O)[O-]","VQKNUOXJMSCJLJ-UHFFFAOYSA-N",299525,NA,"PDBC30419","172614","Present",NA,NA
+"30420","9H-Purin-6-amine, 9-(3-azido-2-hydroxypropyl)-N-benzoyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purin-6-amine, 9-(3-azido-2-hydroxypropyl)-N-benzoyl-",NA,"C1=CC=C(C=C1)C(=O)NC2=C3C(=NC=N2)N(C=N3)CC(CN=[N+]=[N-])O","WNAOKIREWPIZGJ-UHFFFAOYSA-N",373903,NA,"PDBC30420","650909","Present",NA,NA
+"30421","9H-Purin-6-amine, 9-methyl-8-(methylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purin-6-amine, 9-methyl-8-(methylthio)-",NA,"CN1C2=NC=NC(=C2N=C1SC)N","KXBLJZGZRLZVLE-UHFFFAOYSA-N",381401,NA,"PDBC30421","667945","Present",NA,NA
+"30422","9H-Purin-6-amine,1-dimethylethyl)dimethylsilyl oxy]methyl]-2,5-dihydrofuran-2-yl)]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purin-6-amine, 9-[[5-[(1,1-dimethylethyl)dimethylsily...",NA,"CC(C)(C)[Si](C)(C)OCC1C=CC(O1)N2C=NC3=C(N=CN=C32)N","JROPDPSZZDSLDJ-UHFFFAOYSA-N",357471,NA,"PDBC30422","616356","Present",NA,NA
+"30423","9H-Purine, 2-((4-butylphenyl)amino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-126486",NA,"CCCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N=CN3","FAYSZBMSWLHYEM-UHFFFAOYSA-N",496196,NA,"PDBC30423","681703","Present",NA,NA
+"30424","9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)selenyl]-9-beta-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purine, 2-amino-6-[(1-methyl-4-nitroimidazol-5-yl)sel...",NA,"CN1C=NC(=C1[Se]C2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-]","REGVONRTDQXBKW-UHFFFAOYSA-N",284244,NA,"PDBC30424","140032","Present",NA,NA
+"30425","9H-Purine, 6-(allylthio)-9-beta-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9h-purine, 6-(allylthio)-9-.beta.-d-ribofuranosyl- (8ci)",NA,"C=CCSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O","MESFUVRJGABYOW-UHFFFAOYSA-N",236667,NA,"PDBC30425","39367","Present",NA,NA
+"30426","9H-Purine, 9-butyl-6-(methylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T56 BN DN FN HNJ D4 IS1",NA,"CCCCN1C=NC2=C1N=CN=C2SC","OHHJPJULCIJFST-UHFFFAOYSA-N",96530,NA,"PDBC30426","78508","Present",NA,NA
+"30427","9H-Purine, compd. with ethanol (4:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purine, 6-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-9...",NA,"CCO.CN1C=NC(=C1SC2=NC=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)[N+](=O)[O-]","BKHJMHKYKWVYKX-UHFFFAOYSA-N",54606076,NA,"PDBC30427","91745","Present",NA,NA
+"30428","9H-Purine,3S,4R,5R)-3,4-Dihydroxy-5-(9H-purin-9-yl)tetrahydrofuran-2-yl]methyl sulfamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9h-purine, 9-[5-o-(aminosulfonyl)-.beta.-d-ribofuranosyl)]-",NA,"C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)N)O)O","DTLIZHPZNQSZFO-UHFFFAOYSA-N",54613537,NA,"PDBC30428","750854","Present",NA,NA
+"30429","9H-Pyrido[3, N-(2,4-dinitrophenyl)-1-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Pyrido[3,4-b]indol-8-amine, N-(2,4-dinitrophenyl)- 1-...",NA,"C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=CC=C4NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","WYNMZEUJBBVCHQ-UHFFFAOYSA-N",3406978,NA,"PDBC30429","620319","Present",NA,NA
+"30430","9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Pyrido[3,4-b]indol-6-amine, 1-phenyl-",NA,"C1=CC=C(C=C1)C2=NC=CC3=C2NC4=C3C=C(C=C4)N","JPFQINVOSKUDHH-UHFFFAOYSA-N",359452,NA,"PDBC30430","620317","Present",NA,NA
+"30431","9H-Pyrido[3,4-b]indole-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-192596",NA,"C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)O","ARLVFKCLBYUINL-UHFFFAOYSA-N",173262,NA,"PDBC30431","623957","Present",NA,NA
+"30432","9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 10-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 10-methoxy-",NA,"COC1=C2C(=NC=C1)C3=NC=CC4=C3C(=NC5=CC=CC=C45)C2=O","NPMBMAQAWUDHLX-UHFFFAOYSA-N",388733,NA,"PDBC30432","683786","Present",NA,NA
+"30433","9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(2-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(2-nitrop...",NA,"C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=CC=C6[N+](=O)[O-]","XKNLGDPIFYVQEQ-UHFFFAOYSA-N",54608997,NA,"PDBC30433","698243","Present",NA,NA
+"30434","9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(3-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(3-methox...",NA,"COC1=CC=CC(=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6","MBZVDXZVXCZACZ-UHFFFAOYSA-N",54608964,NA,"PDBC30434","697747","Present",NA,NA
+"30435","9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(4-methyl...",NA,"CC1=CC=C(C=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6","LVQTTZXQIGFSMZ-UHFFFAOYSA-N",54608995,NA,"PDBC30435","698244","Present",NA,NA
+"30436","9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-(4-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(4-nitrop...",NA,"C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-]","JSFAUMFBRMXMFJ-UHFFFAOYSA-N",54608965,NA,"PDBC30436","697748","Present",NA,NA
+"30437","9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-methyl-",NA,"CC1=CC2=C3C(=N1)C4=C(C=CC=N4)C(=O)C3=NC5=CC=CC=C52","JUDGTRUZCMXJMA-UHFFFAOYSA-N",4297981,NA,"PDBC30437","683787","Present",NA,NA
+"30438","9H-Quino[4,2-de][1,10]phenanthrolin-9-one, 3-(acetoxymethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 3-(acetoxym...",NA,"CC(=O)OCC1=CN=C2C3=C1C4=CC=CC=C4N=C3C(=O)C5=C2N=CC=C5","CGADRZKENIJAJE-UHFFFAOYSA-N",4998422,NA,"PDBC30438","694488","Present",NA,NA
+"30439","9H-Quino[4,2-de]phenanthrolin-9-one, 2-(2-phenylethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de]phenanthrolin-9-one, 2-(2-phenylethyle...",NA,"C1=CC=C(C=C1)C=CC2=CC3=C4C(=N2)C5=C(C=CC=N5)C(=O)C4=NC6=CC=CC=C63","LAPYAYNGQLTKNC-OUKQBFOZSA-N",6144589,NA,"PDBC30439","686555","Present",NA,NA
+"30440","9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(1-piperidinyl)ethyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioxanthen-9-one, 4-(hydroxymethyl)-1-[(2-piperidinoeth...",NA,"C1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O","WKUYEBVLTZDQDV-UHFFFAOYSA-N",72827,NA,"PDBC30440","166366","Present",NA,NA
+"30441","9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-1-piperazinyl)ethyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Thioxanthen-9-one, 4-(hydroxymethyl)-1-[[2-(4-methyl-...",NA,"CN1CCN(CC1)CCNC2=C3C(=C(C=C2)CO)SC4=CC=CC=C4C3=O","ZBTCQRIBGXSGEE-UHFFFAOYSA-N",296321,NA,"PDBC30441","166381","Present",NA,NA
+"30442","9H-Thioxanthen-9-one,monohydriodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC317003",NA,"CC1=C2C(=C(C=C1)NCCN(C)C)C(=O)C3=C(S2)C=CC(=C3)O.I","WJOQXEPGKLCGCC-UHFFFAOYSA-N",13504751,NA,"PDBC30442","317003","Present",NA,NA
+"30443","9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Xanthen-9-one, 2,3,4,7-tetramethoxy-",NA,"COC1=CC2=C(C=C1)OC3=C(C(=C(C=C3C2=O)OC)OC)OC","QPTYQJBRCIANSR-UHFFFAOYSA-N",370636,NA,"PDBC30443","643978","Present",NA,NA
+"30444","9H-[1,2,4]Triazolo[5,1-b][1,3]benzothiazine-2,9(1H)-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-[1,2,4]Triazolo[5,1-b][1,3]benzothiazine-2,9(1H)-dione",NA,"C1=CC=C2C(=C1)C(=O)N3C(=NC(=O)N3)S2","QKALGVKFVXPPBY-UHFFFAOYSA-N",364995,NA,"PDBC30444","631904","Present",NA,NA
+"30445","9J2BCV8VXC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9J2BCV8VXC",NA,"CCOC(=O)NC1=CC2=C(C=C1)N=C(N2)C3=CSC=N3","VRXADELDEAADGK-UHFFFAOYSA-N",326899,NA,"PDBC30445","299514","Present",NA,NA
+"30446","9K-011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9K-011",NA,"C1=CC(=NC(=C1)Cl)C(C#N)C2=CC=C(C=C2)Cl","KFUYTJBERFHHIL-UHFFFAOYSA-N",366010,NA,"PDBC30446","634183","Present",NA,NA
+"30447","9LC3489KIW",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9LC3489KIW",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3NN=C2C(=O)N","SYLXSYKPLOSTDX-UHFFFAOYSA-N",72802,NA,"PDBC30447","307500","Present",NA,NA
+"30448","9N2BLV59GJ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9N2BLV59GJ",NA,"C1=CC=C(C=C1)C2=CN=NC3=C4C(=C(N=NC4=NN23)C5=CC=CC=C5)C6=CC=CC=C6","KJPUGCZAQOOLMU-UHFFFAOYSA-N",337393,NA,"PDBC30448","355170","Present",NA,NA
+"30449","9S4K6KAQ7M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9S4K6KAQ7M",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC","QXRNWRWFNALYGH-UHFFFAOYSA-N",5386963,NA,"PDBC30449","618934","Present",NA,NA
+"30450","9Y707M2PJH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9Y707M2PJH",NA,"CCN(CC)C(=S)SCC(=O)NC1=NC2=C(S1)CCCC2","AZCCSEDCJWTLGS-UHFFFAOYSA-N",373879,NA,"PDBC30450","650842","Present",NA,NA
+"30451","9a-Allyl-7-methoxy-3,4,4a,9a-tetrahydro-1H-fluorene-2,9-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9a-Allyl-7-methoxy-3,4,4a,9a-tetrahydro-1H-fluorene-2,9-dione",NA,"COC1=CC2=C(C=C1)C3CCC(=O)CC3(C2=O)CC=C","CXRDSDFDNUARSP-UHFFFAOYSA-N",372283,NA,"PDBC30451","647341","Present",NA,NA
+"30452","9a-Hydroxy-8-methoxy-1,2,3,4,4a,9a-hexahydro-9H-fluoren-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9a-Hydroxy-8-methoxy-1,2,3,4,4a,9a-hexahydro-9H-fluoren-9-one",NA,"COC1=CC=CC2=C1C(=O)C3(C2CCCC3)O","FXJPJLDVHPAZBR-UHFFFAOYSA-N",375525,NA,"PDBC30452","655304","Present",NA,NA
+"30453","9a-Piperidin-1-yl-1,2,3,4,4a,9-hexahydrocarbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9a-(1-Piperidyl)-1,2,3,4,4a,9-hexahydrocarbazole",NA,"C1CCN(CC1)C23CCCCC2C4=CC=CC=C4N3","ILAQLPKKUPIWQY-UHFFFAOYSA-N",396622,NA,"PDBC30453","703121","Present",NA,NA
+"30454","9b-(4-Fluorophenyl)-1-(p-tolylsulfonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9b-(4-Fluorophenyl)-1-(p-tolylsulfonyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN3C2(C4=CC=CC=C4C3=O)C5=CC=C(C=C5)F","IXBUCQCXAFHOJZ-UHFFFAOYSA-N",388689,NA,"PDBC30454","683713","Present",NA,NA
+"30455","9b-Methoxy-4,6a-dimethyl-2,3,9,9a-tetrahydropyrazolo[3,4-h][1,4]benzoxazin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9b-Methoxy-4,6a-dimethyl-2,3,9,9a-tetrahydropyrazolo[3,4-h][1,4]benzoxazin-6-one",NA,"CC12C(CN=N1)C3(C(=CC2=O)N(CCO3)C)OC","YMDXVRJQRAHLED-UHFFFAOYSA-N",362831,NA,"PDBC30455","627201","Present",NA,NA
+"30456","9b-Methoxy-4,9-dimethyl-3,4,8,9,9a,9b-hexahydro[1,4]oxazino[2,3-e]indazol-6(2H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9b-Methoxy-4,9-dimethyl-3,4,8,9,9a,9b-hexahydro[1,4]oxazino[2,3-e]indazol-6(2H)-one",NA,"CC1C2C(=NN1)C(=O)C=C3C2(OCCN3C)OC","HTASJZKJAQOKEG-UHFFFAOYSA-N",362830,NA,"PDBC30456","627200","Present",NA,NA
+"30457","9b-Methoxy-4-methyl-3,6a,9,9a-tetrahydro-2H-pyrazolo[3,4-h][1,4]benzoxazin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9b-Methoxy-4-methyl-3,6a,9,9a-tetrahydro-2H-pyrazolo[3,4-h][1,4]benzoxazin-6-one",NA,"CN1CCOC2(C1=CC(=O)C3C2CN=N3)OC","JXNJQCLKQSAFBM-UHFFFAOYSA-N",362829,NA,"PDBC30457","627199","Present",NA,NA
+"30458","9beta,19-Cyclolanost-24-en-3beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cycloartenol",NA,"CC(CCC=C(C)C)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C","ONQRKEUAIJMULO-SPBTXPORSA-N",382580,NA,"PDBC30458","670193","Present",NA,NA
+"30459","9beta-Hydroxyfuranoeremophilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672988",NA,"CC1CCCC2C1(CC3=C(C2O)OC=C3C)C","FYJIYZRXJNERQZ-XTWPYSKKSA-N",383985,NA,"PDBC30459","672988","Present",NA,NA
+"30460","A 8671K119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A 8671K119",NA,NA,NA,NA,NA,"PDBC30460","53398","Present",NA,NA
+"30461","A C60 Fullerene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A C60 Fullerene",NA,"C1COCCOCCOCCOCCOCCN1C2C3=C4C5=C6C7=C(CC8=C7C9=C1C6=C4C4=C2C=C2C4=C1C1=C9C(=C8)C=CC1=C2)C=C5C=C3","WUKRAMDLHBROAJ-UHFFFAOYSA-N",495963,NA,"PDBC30461","674718","Present",NA,NA
+"30462","A-1210477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-1210477",NA,"CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C","XMVAWGSQPHFXKU-UHFFFAOYSA-N",66575373,NA,"PDBC30462","784817","Present",NA,NA
+"30463","A-64718",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-64718",NA,"CCCCCN(CCCCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC2=CC=CC=C2N1","ZCLCUGHPNSTPGZ-HXUWFJFHSA-N",367892,NA,"PDBC30463","638069","Present",NA,NA
+"30464","A-911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-911",NA,"COC1=C(C=C(C=C1)F)C2=C3C=C(NC3=NC=C2)C4=CCN(CC4)C5CCC(CC5)CC(=O)O","DZZGVCFHAAYUAE-UHFFFAOYSA-N",90411536,NA,"PDBC30464","788794","Present",NA,NA
+"30465","A05-A1B2-I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A05-A1B2-I",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=C(C3=O)C=C(C=C4)Br","PTZNOHFUDZSWGX-UHFFFAOYSA-N",403166,NA,"PDBC30465","717818","Present",NA,NA
+"30466","A05-A4B1-I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A05-A4B1-I",NA,"C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)F)O","FYLWBNLJDXFSNQ-UHFFFAOYSA-N",403163,NA,"PDBC30466","717814","Present",NA,NA
+"30467","A05-A5B1-I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A05-A5B1-I",NA,"C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)Cl)O","RUTNUZIYAWTMEA-UHFFFAOYSA-N",403164,NA,"PDBC30467","717815","Present",NA,NA
+"30468","A1-00851",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A1-00851",NA,"CCOC(=O)C(=O)NC1=CC=CC=C1C(C)C","FOAJRCGDWYJLDV-UHFFFAOYSA-N",362278,NA,"PDBC30468","625889","Present",NA,NA
+"30469","A1-02613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A1-02613",NA,"COC1=C(C2=CC=CC=C2C=C1Br)C3=C(C(=CC4=CC=CC=C43)Br)OC","DFTUKDIMHCCQIT-UHFFFAOYSA-N",394170,NA,"PDBC30469","697407","Present",NA,NA
+"30470","A1-04806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A1-04806",NA,"CC(C)(C(=O)NC(C)(C)C(=O)O)NC(=O)OCC1=CC=CC=C1","BJMRSYFLRSLBEH-UHFFFAOYSA-N",382256,NA,"PDBC30470","669711","Present",NA,NA
+"30471","A25820",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A25820",NA,"C1CCN(CC1)CC(CN2CCN(CC2)C=O)O","GAUYDPLFKRENDX-UHFFFAOYSA-N",247531,NA,"PDBC30471","62380","Present",NA,NA
+"30472","A6651",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A6651",NA,"C1=CC=C(C=C1)CN(CSC2=CC=C(C=C2)Br)CSC3=CC=C(C=C3)Br","XDOLEJIVBJJNNV-UHFFFAOYSA-N",268815,NA,"PDBC30472","109257","Present",NA,NA
+"30473","A802644",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A802644",NA,"C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)Br","MSKCVIWSIKALRD-UHFFFAOYSA-N",384600,NA,"PDBC30473","674612","Present",NA,NA
+"30474","A810813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A810813",NA,"CCCSC1CCOP(=O)(N1C)N(CCCl)CCCl","QEIAPXSXRUYDDN-UHFFFAOYSA-N",368013,NA,"PDBC30474","638242","Present",NA,NA
+"30475","A813452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A813452",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCNC(=O)C3=CC=CC=C3","QONYYTKNTAWWBC-UHFFFAOYSA-N",225069,NA,"PDBC30475","14143","Present",NA,NA
+"30476","A817522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A817522",NA,"C(C(=O)O)NC(=O)C1C(OC(N1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F","SMOIGBFAZZYOSZ-UHFFFAOYSA-N",293597,NA,"PDBC30476","160391","Present",NA,NA
+"30477","A817740",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A817740",NA,"COC1=NN=C(C=C1)NC2=CC(=O)C(=O)C3=CC=CC=C32","QQLHEWWXBASUQZ-UHFFFAOYSA-N",267581,NA,"PDBC30477","107043","Present",NA,NA
+"30478","A818039",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A818039",NA,"C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O.C1=C2C(=CC3=C1C(=O)OC3=O)C(=O)OC2=O","QMFJHPFJGDEWOU-UHFFFAOYSA-N",272598,NA,"PDBC30478","117212","Present",NA,NA
+"30479","A819529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A819529",NA,"CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1C)Cl)C3=CC(=C(C=C3)Cl)Cl","HMWGASGKQAVXQS-UHFFFAOYSA-N",224816,NA,"PDBC30479","13630","Present",NA,NA
+"30480","A821143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A821143",NA,"CCN(CC)CCCC(C)NC1=C2C=C(C(=CC2=NC=C1)Cl)SCC3=CC=CC=C3","CPNZFAYIRSHTEY-UHFFFAOYSA-N",224743,NA,"PDBC30480","13483","Present",NA,NA
+"30481","A827903",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A827903",NA,"C1=CC2=C(NC3=CC4=C(C=C3C2=O)NC(=O)N4)N=C1","SGGXTMSSHMVAEE-UHFFFAOYSA-N",378711,NA,"PDBC30481","661816","Present",NA,NA
+"30482","A827946",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A827946",NA,"C1CSC(SC1)(C2=CC=CC=C2F)C3=C(C(=O)C3=O)NCC4=CC=CC=C4","LUHATEJTDANQAJ-UHFFFAOYSA-N",394551,NA,"PDBC30482","698096","Present",NA,NA
+"30483","A836813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A836813",NA,"CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)OC","OXRCQEMNONCHMK-UHFFFAOYSA-N",233390,NA,"PDBC30483","31884","Present",NA,NA
+"30484","A837438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A837438",NA,"C1CCC(C(C1)C(=O)NC2=CC3=C(C=C2)C4=CC=CC=C4C3=O)C(=O)O","ATUORTCNLKBLMD-UHFFFAOYSA-N",240386,NA,"PDBC30484","46538","Present",NA,NA
+"30485","A842338",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A842338",NA,"CN1C2=NC(=NC(=C2C=N1)NCCC3=CC=CC=C3)Cl","KRNAPVRIULRUAL-UHFFFAOYSA-N",227530,NA,"PDBC30485","19139","Present",NA,NA
+"30486","A843300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A843300",NA,"CC1CCCN(C1)CC(CN2CCCC3=CC=CC=C32)O","VOGJJIQUEMRFQF-UHFFFAOYSA-N",247530,NA,"PDBC30486","62378","Present",NA,NA
+"30487","AAJYCHBLTARBTA-SOFGYWHQSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AAJYCHBLTARBTA-SOFGYWHQSA-N",NA,"CCOC(=O)C=CC1=CC=C(N1)C(=O)OCC","AAJYCHBLTARBTA-SOFGYWHQSA-N",5383641,NA,"PDBC30487","177989","Present",NA,NA
+"30488","AB-928",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB-928",NA,"CC1=C(C=CC=C1C2=CC(=NC(=N2)N)C3=CN(N=N3)CC4=NC(=CC=C4)C(C)(C)O)C#N","BUXIAWLTBSXYSW-UHFFFAOYSA-N",135242184,NA,"PDBC30488","823658","Present",NA,NA
+"30489","AB07325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB07325",NA,"C1CCC2=C(C1)C3=C(S2)N=C(N=C3Cl)Cl","CPWQCJFDDILDOU-UHFFFAOYSA-N",290234,NA,"PDBC30489","153325","Present",NA,NA
+"30490","AB26777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB26777",NA,"CC1=CSC2=NC(=CN12)C3=CC=NC=C3","KBZPNUKMVHLHQJ-UHFFFAOYSA-N",369510,NA,"PDBC30490","641290","Present",NA,NA
+"30491","AB680 diammonium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB-680 diammonium salt",NA,"CC(C1=CC=CC=C1F)NC2=CC(=NC3=C2C=NN3C4C(C(C(O4)COP(=O)(CP(=O)(O)[O-])[O-])O)O)Cl","MFYLCAMJNGIULC-KCVUFLITSA-L",155809269,NA,"PDBC30491","820283","Present",NA,NA
+"30492","ABBV-744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABBV-744",NA,"CCNC(=O)C1=CC2=C(N1)C(=O)N(C=C2C3=C(C=CC(=C3)C(C)(C)O)OC4=C(C=C(C=C4C)F)C)C","OEDSFMUSNZDJFD-UHFFFAOYSA-N",132010322,NA,"PDBC30492","812415","Present",NA,NA
+"30493","ABC-1183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABC-1183",NA,"CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)C#N)N","CUDLEXBIVZPJBU-UHFFFAOYSA-N",134500787,NA,"PDBC30493","797769","Present",NA,NA
+"30494","ABC-294640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABC-294640",NA,"C1C2CC3(CC1CC(C2)(C3)C(=O)NCC4=CC=NC=C4)C5=CC=C(C=C5)Cl","CAOTVXGYTWCKQE-UHFFFAOYSA-N",15604015,NA,"PDBC30494","796101","Present",NA,NA
+"30495","ABRIN A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABRIN A",NA,NA,NA,NA,NA,"PDBC30495","632990","Present",NA,NA
+"30496","AC 3579",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC 3579",NA,"CN1CCN(CC1)CC2=NC3=CC=CC4=C3C(=[N+]2[O-])C5=CC=CC=C45","YIQDJLNMGMFEOP-UHFFFAOYSA-N",72843,NA,"PDBC30496","170561","Present",NA,NA
+"30497","AC-710",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC-710",NA,"CCN1C(CC(CC1(C)C)OC2=CN=C(C=C2)C(=O)NC3=CC=C(C=C3)NC(=O)NC4=NOC(=C4)C(C)(C)C)(C)C","JVCWPUFNLFSKFS-UHFFFAOYSA-N",54760053,NA,"PDBC30497","787038","Present",NA,NA
+"30498","AC1L8IIJ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC1L8IIJ",NA,"COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Br)OC.C(CS(=O)(=O)O)O","OUXQTCRLCHDCTF-UHFFFAOYSA-N",382057,NA,"PDBC30498","669364","Present",NA,NA
+"30499","AC1L8IIM",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC1L8IIM",NA,"CS(=O)(=O)O.C1=CC(=CC(=C1)Br)NC2=NC=NC3=CC(=NC=C32)N","XEURSJHGRBFNCW-UHFFFAOYSA-N",382058,NA,"PDBC30499","669365","Present",NA,NA
+"30500","AC1LLQ0L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC1LLQ0L",NA,"C1=CC(=CC(=C1)Cl)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O","BRCGPVHRBGGGPW-UHFFFAOYSA-N",1114144,NA,"PDBC30500","729131","Present",NA,NA
+"30501","AC1NTNKE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC1NTNKE",NA,"CC(=C1C(=O)OC(=N1)C2=CC=CC=C2)C3=CC=CC=C3","TYPJAOYNIKQSCQ-NTCAYCPXSA-N",5384656,NA,"PDBC30501","351965","Present",NA,NA
+"30502","AC1OB7T2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AC1OB7T2",NA,"C1=CC=C2C(=C1)C=CC(=C2C=CC3=NC4=C(C=C3)C(=CC(=C4O)Br)Br)O","NGEIVDFIXGKIKP-SOFGYWHQSA-N",135422273,NA,"PDBC30502","67091","Present",NA,NA
+"30503","ACETIC ACID, IODO-, TRIESTER with GLYCEROL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"glycerol-tris(iodoacetate)",NA,"C(C(COC(=O)CI)OC(=O)CI)OC(=O)CI","NSGOBVLOLGZLSI-UHFFFAOYSA-N",23681,NA,"PDBC30503","30033","Present",NA,NA
+"30504","ACETOXYPHENANTHRYLMERCURY",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACETOXYPHENANTHRYLMERCURY",NA,NA,NA,NA,NA,"PDBC30504","534","Present",NA,NA
+"30505","ACF1IB6KN8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACF1IB6KN8",NA,"CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)N)(C(=O)OCC)NC(=O)C","LMIVCDUFWCNZDD-UHFFFAOYSA-N",247760,NA,"PDBC30505","63027","Present",NA,NA
+"30506","ACM211359783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM211359783",NA,"CCC1C2=C(CC3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=CC=CC=C4N2","MSEKYFBUODOFAK-ABHNRTSZSA-N",397166,NA,"PDBC30506","704571","Present",NA,NA
+"30507","ACM211359794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM211359794",NA,"CC(C)(C)OC(=O)CCC1C(=O)N2C(CC3=C(C2C4=CC=CC=C4)NC5=CC=CC=C35)C(=O)N1","BSEJMCYRADYFBM-DQBMGFJSSA-N",397170,NA,"PDBC30507","704575","Present",NA,NA
+"30508","ACM211359807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM211359807",NA,"CC(C)(C)OC(=O)CCC1C(=O)N2C(CC3=C(C2C4CCCCC4)NC5=CC=CC=C35)C(=O)N1","ICGYPZZDGBLMPO-DQBMGFJSSA-N",397175,NA,"PDBC30508","704580","Present",NA,NA
+"30509","ACM211359829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM211359829",NA,"CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)CCC(=O)OC(C)(C)C)C4=CC=CC=C4N2","BCZFDPQIRPGIJS-MHJFOBGBSA-N",397179,NA,"PDBC30509","704584","Present",NA,NA
+"30510","ACM39763025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM39763025",NA,"C1=CC(=O)N(C1=O)CCCCCCCCCCN2C(=O)C=CC2=O","VBRQKZUHWJXGLS-UHFFFAOYSA-N",239578,NA,"PDBC30510","44753","Present",NA,NA
+"30511","ACM52837555",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM52837555",NA,"C1CC2=C(C3=CC=CC=C31)NN=C2C4=CC=NC=C4","NNOXRNQSZZKVKE-UHFFFAOYSA-N",104337,NA,"PDBC30511","247998","Present",NA,NA
+"30512","ACOXBLKYCWQGBU-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACOXBLKYCWQGBU-UHFFFAOYSA-N",NA,"CCOC(=O)C(C(F)(F)F)NC(=O)NCC1=CC=C(C=C1)F","ACOXBLKYCWQGBU-UHFFFAOYSA-N",383649,NA,"PDBC30512","672067","Present",NA,NA
+"30513","ACRIDINE, 9-(p-DIMETHYLAMINOANILINO)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"win 1701",NA,"CN(C)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42","WBERNRVMJQYKKR-UHFFFAOYSA-N",25926,NA,"PDBC30513","13002","Present",NA,NA
+"30514","ADA 1A10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ADA 1A10",NA,NA,NA,NA,NA,"PDBC30514","636212","Present",NA,NA
+"30515","ADA 1G5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ADA 1G5",NA,NA,NA,NA,NA,"PDBC30515","636213","Present",NA,NA
+"30516","ADA 2F8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ADA 2F8",NA,NA,NA,NA,NA,"PDBC30516","636211","Present",NA,NA
+"30517","ADC Acid Brilliant Milling Violet 4BS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"violet bnp",NA,"CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC3=CC(=CC=C3)S(=O)(=O)O)C=C2)C4=CC=C(C=C4)N(CC)CC5=CC(=CC=C5)S(=O)(=O)O","BTWMAWYAYFSBNC-UHFFFAOYSA-O",92206,NA,"PDBC30517","5019","Present",NA,NA
+"30518","ADDCVOVTPBVIOZ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ADDCVOVTPBVIOZ-UHFFFAOYSA-N",NA,"CN(C)C1(CCC2(CC1)OCCO2)C#N","ADDCVOVTPBVIOZ-UHFFFAOYSA-N",360977,NA,"PDBC30518","623708","Present",NA,NA
+"30519","ADH-1 trifluroacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"exherin",NA,"CC1C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CN=CN2)NC(=O)C)C(=O)N)C(C)C.C(=O)(C(F)(F)F)O","RMLOJFSXNMROLS-BMLUHVGESA-N",24203776,NA,"PDBC30519","729477","Present",NA,NA
+"30520","AE-406/41056984",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-406/41056984",NA,"CC1=C2CCN(C2=C3C=C(C=CC3=N1)Cl)C4=CC=C(C=C4)F","LOACRZGVRDEQGR-UHFFFAOYSA-N",379746,NA,"PDBC30520","664718","Present",NA,NA
+"30521","AE-406/41057053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-406/41057053",NA,"CC1=C(C(=O)N2C3=CC=CC=C3N(C2=C1C#N)C)CCOC","WTTMVWXCPHQNLC-UHFFFAOYSA-N",377272,NA,"PDBC30521","658525","Present",NA,NA
+"30522","AE-477/13519201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-477/13519201",NA,"C=CCCN1C(=O)OC(=N1)C2=CC=CC=C2","QDHZOXMEMBNEMB-UHFFFAOYSA-N",359328,NA,"PDBC30522","620113","Present",NA,NA
+"30523","AE-508/36402063",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-508/36402063",NA,"C1=CC=C(C=C1)C2=C(C(=C(C3=C(SC(=C23)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)C(=O)C8=CC=CC=C8","GUFOKCDASAHENZ-UHFFFAOYSA-N",363205,NA,"PDBC30523","627879","Present",NA,NA
+"30524","AE-641/09782016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-641/09782016",NA,"C1=CC(=CC=C1OC2=C(C=C(C=C2)N=CC3=C(C=C(C=C3)Cl)Cl)Cl)Cl","XROGJXMBTGUNFK-UHFFFAOYSA-N",392946,NA,"PDBC30524","694160","Present",NA,NA
+"30525","AE-641/11407745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-641/11407745",NA,"COC(=O)C1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)O","PPFDSCSBVAUJCM-UHFFFAOYSA-N",54681631,NA,"PDBC30525","659484","Present",NA,NA
+"30526","AE-646/31212053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-646/31212053",NA,"C1COC2(O1)C3C4C5C2(C6C5C4(C63)C(=O)O)Br","ZGOHSJGPNWPPHD-UHFFFAOYSA-N",371793,NA,"PDBC30526","646237","Present",NA,NA
+"30527","AE-848/32009042",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-848/32009042",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C4=CC=C(C=C4)N(C)C","TTZROTFCBLJUBO-UHFFFAOYSA-N",389243,NA,"PDBC30527","684996","Present",NA,NA
+"30528","AE-848/33223014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-848/33223014",NA,"C1=CC=C2C(=C1)SC(=C3SC4=CC=CC=C4S3)S2","OVIRUXIWCFZJQC-UHFFFAOYSA-N",141136,NA,"PDBC30528","623559","Present",NA,NA
+"30529","AE-848/36289019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-848/36289019",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3O2","BDLCKVSBCPDQJX-WJDWOHSUSA-N",5467627,NA,"PDBC30529","657006","Present",NA,NA
+"30530","AE3 antibody",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE3 antibody",NA,NA,NA,NA,NA,"PDBC30530","740289","Present",NA,NA
+"30531","AEROTHIONIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AEROTHIONIN",NA,"COC1=C(C(C2(CC(=NO2)C(=O)NCCCCNC(=O)C3=NOC4(C3)C=C(C(=C(C4O)Br)OC)Br)C=C1Br)O)Br","BJWQSQOWGBUSFC-UHFFFAOYSA-N",301120,NA,"PDBC30531","177380","Present",NA,NA
+"30532","AF 015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AF 015",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NOCCCC5=CC=CC=C5)C","RTZJZXNZOCDNHE-IFOPSIBHSA-N",135534673,NA,"PDBC30532","143476","Present",NA,NA
+"30533","AF-407/32638012",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AF-407/32638012",NA,"CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","XNKCXUOOZIXYHB-UHFFFAOYSA-N",389956,NA,"PDBC30533","686659","Present",NA,NA
+"30534","AF-DX 250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AF-DX 250",NA,"CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=CC=CC=C42","RLUNJKJUFRFYJM-UHFFFAOYSA-N",379651,NA,"PDBC30534","664528","Present",NA,NA
+"30535","AF52",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AF52",NA,"C1COCCN1C2=NC(=NC(=N2)N)CCl","MFAGDEITRDZSFJ-UHFFFAOYSA-N",210892,NA,"PDBC30535","686790","Present",NA,NA
+"30536","AFP464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AFP464",NA,"CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)C(CCCCN)N)F)N)F.CS(=O)(=O)O","MJVICFBYAVBBOA-ZOWNYOTGSA-N",399587,NA,"PDBC30536","710464","Present",NA,NA
+"30537","AG 490, m-CF3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG 490, m-CF3",NA,"C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C(=CC2=CC(=C(C=C2)O)O)C#N","CBZPIGMULPRVPO-AWNIVKPZSA-N",11516050,NA,"PDBC30537","722757","Present",NA,NA
+"30538","AG 957",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG 957",NA,"COC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","QSFREBZMBNRGOK-UHFFFAOYSA-N",2064,NA,"PDBC30538","654705","Present",NA,NA
+"30539","AG-2037; AG 2037; AG2037",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pelitrexol isomer A///Pelitrexol isomer B",NA,"CC1=C(SC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)CCC2CC3=C(NC2)N=C(NC3=O)N","QXOPTIPQEVJERB-UHFFFAOYSA-N",135992026,NA,"PDBC30539","772290///772291","Present",NA,NA
+"30540","AG-205/11133983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-205/11133983",NA,"CCOC(=O)C(C(F)(F)F)(NC(C)C)NC(=O)CC(C)C","LVHYAIKTLQVAIW-UHFFFAOYSA-N",389156,NA,"PDBC30540","684840","Present",NA,NA
+"30541","AG-205/11317141",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-205/11317141",NA,"CN1CC(=CC2=CC=C(C=C2)OC)C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)OC","FHJARLMXPKCCEJ-LDADJPATSA-N",5470908,NA,"PDBC30541","706204","Present",NA,NA
+"30542","AG-205/32407052",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-205/32407052",NA,"C1=CC=C(C=C1)CNC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","BJQQXOJVSPZJAD-BMRADRMJSA-N",3106766,NA,"PDBC30542","698359","Present",NA,NA
+"30543","AG-205/36953161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-205/36953161",NA,"C1C(=O)NC(=NN=CC2=CN(C3=CC=CC=C32)CC4=C(C=C(C=C4)Cl)Cl)S1","JGVCFYIGOIVEGD-GZIVZEMBSA-N",135436285,NA,"PDBC30543","717516","Present",NA,NA
+"30544","AG-370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-370",NA,"C1=CC2=C(C=CN2)C=C1C=C(C#N)C(=C(C#N)C#N)N","CMMDWEJTQUTCKG-WUXMJOGZSA-N",5328748,NA,"PDBC30544","651712","Present",NA,NA
+"30545","AG-389/32209062",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-389/32209062",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=CC=C1F)OC","XFGOCUYZZWYXTR-UHFFFAOYSA-N",383656,NA,"PDBC30545","672074","Present",NA,NA
+"30546","AG-389/32210037",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-389/32210037",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC","WARAZUWQEANOJS-UHFFFAOYSA-N",383572,NA,"PDBC30546","671990","Present",NA,NA
+"30547","AG-389/32211050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-389/32211050",NA,"CCOC(=O)C(C(F)(F)F)(NS(=O)(=O)C1=CC=CC=C1)P(=O)(OCC(C)C)OCC(C)C","INQYKTFGHQSDRR-UHFFFAOYSA-N",383643,NA,"PDBC30547","672061","Present",NA,NA
+"30548","AG-389/33008054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-389/33008054",NA,"CCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC","SZSRZXZCOJFVEG-UHFFFAOYSA-N",384766,NA,"PDBC30548","675202","Present",NA,NA
+"30549","AG-389/33008058",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-389/33008058",NA,"CC(C)CC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC","AZZCLSSLIAFDBY-UHFFFAOYSA-N",384767,NA,"PDBC30549","675203","Present",NA,NA
+"30550","AG-389/33008062",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-389/33008062",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)N)NC(=O)C","GKZSWWHNNZBILW-UHFFFAOYSA-N",389159,NA,"PDBC30550","684843","Present",NA,NA
+"30551","AG-389/33009004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-389/33009004",NA,"CCOC(=O)CC1=CSC(=N1)NC(C(=O)OCC)(C(F)(F)F)NC(=O)OCC","WSMPTSPAEYFOPF-UHFFFAOYSA-N",389146,NA,"PDBC30551","684830","Present",NA,NA
+"30552","AG-389/33009016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-389/33009016",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C","KLUIQDRJVHIQPX-UHFFFAOYSA-N",384760,NA,"PDBC30552","675196","Present",NA,NA
+"30553","AG-401/33913004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-401/33913004",NA,"CNC1=NC=C(C(=N1)CN(C)C)C2=NN=NN2C3=CC=CC=C3","PAJWTLWGKRXQNX-UHFFFAOYSA-N",384186,NA,"PDBC30553","673518","Present",NA,NA
+"30554","AG-536/31403011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-536/31403011",NA,"CC1(OC(C(O1)C(C)(C)O)C(C)(C)O)C","KJORNJHCUSQRDY-UHFFFAOYSA-N",380759,NA,"PDBC30554","666467","Present",NA,NA
+"30555","AG-690/11351745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-690/11351745",NA,"C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C=C4C(=O)NC(=O)NC4=O","DOUGKDZIBIQOQP-UHFFFAOYSA-N",360573,NA,"PDBC30555","622706","Present",NA,NA
+"30556","AG-690/33060035",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-690/33060035",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=CC3=CC(=C(C=C32)[N+](=O)[O-])Br","PXIOXYQPNAXNHQ-UHFFFAOYSA-N",373203,NA,"PDBC30556","649170","Present",NA,NA
+"30557","AG-690/40136330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-690/40136330",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=CO3)O","CZBKDUWRJUBULO-UHFFFAOYSA-N",359728,NA,"PDBC30557","621174","Present",NA,NA
+"30558","AG-785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-785",NA,"CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC3=C(C=C2)NC=C3)C#N","YAKSTXXJGSXXCJ-LDADJPATSA-N",5329273,NA,"PDBC30558","650932","Present",NA,NA
+"30559","AG542XU5YV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG542XU5YV",NA,"COC1=CC2=C3C(=C1)C=CC=C3C(=O)N(C2=O)CCN4CCCC4","ZUQGGIPILNWNRC-UHFFFAOYSA-N",328772,NA,"PDBC30559","308846","Present",NA,NA
+"30560","AGN-PC-00AQFW",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AGN-PC-00AQFW",NA,"C=C(CN1CCN(CC1)C2=CC(=C(C=C2)F)Cl)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","MSKFDACWWCUNHV-UHFFFAOYSA-N",11518347,NA,"PDBC30560","735405","Present",NA,NA
+"30561","AH-034/11364083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AH-034/11364083",NA,"C1CC2=C(NC1)NC(=S)NC2=O","MEJJJEZOFIJYLD-UHFFFAOYSA-N",899923,NA,"PDBC30561","649161","Present",NA,NA
+"30562","AH-034/11364491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AH-034/11364491",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)NC3=CC=CC=C3","NJCAMQLQKZHGIJ-DEDYPNTBSA-N",6870815,NA,"PDBC30562","695330","Present",NA,NA
+"30563","AH-034/11365044",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AH-034/11365044",NA,"CC1=CCC(CC1=NO)C(C)(C)NC(=O)C","JIQLBNCILJHELB-KAMYIIQDSA-N",6517737,NA,"PDBC30563","656382","Present",NA,NA
+"30564","AH-034/11365300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AH-034/11365300",NA,"C1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C(=NS(=O)(=O)C3=CC=CC=C3)C(=C2Cl)Cl)Cl)Cl","VVGSNFGJZSFDRC-UHFFFAOYSA-N",291543,NA,"PDBC30564","156845","Present",NA,NA
+"30565","AHF100437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AHF100437",NA,"CC1=NC(=CC2=CC=C(C=C2)C(=O)OC)C(=O)O1","SRDWYXCKJXMLMX-XFFZJAGNSA-N",5466798,NA,"PDBC30565","643017","Present",NA,NA
+"30566","AHF100656",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AHF100656",NA,"CC1=NC(=CC2=CC=CC3=CC=CC=C32)C(=O)O1","SOZGZXBLNWADNY-ZROIWOOFSA-N",5388018,NA,"PDBC30566","630888","Present",NA,NA
+"30567","AHF101053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AHF101053",NA,"CC1=NC(=CC2=CC=CC=C2OC)C(=O)O1","HSKVPAFMAZDKCS-YFHOEESVSA-N",5387536,NA,"PDBC30567","624440","Present",NA,NA
+"30568","AHF102890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AHF102890",NA,"CC1=NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O1","ABNNCLKVUMXLSZ-POHAHGRESA-N",1810883,NA,"PDBC30568","630890","Present",NA,NA
+"30569","AHLDICFOVWNWRW-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AHLDICFOVWNWRW-UHFFFAOYSA-N",NA,"CN1CCN(CC1)C2=C(C=C3C(=C2)N=C(N3)C4=CC=C(C=C4)Cl)F","AHLDICFOVWNWRW-UHFFFAOYSA-N",394298,NA,"PDBC30569","697665","Present",NA,NA
+"30570","AHS-3/51 Azomycin acyclonucleoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AHS-3/51 Azomycin acyclonucleoside",NA,"C1=CN(C(=N1)[N+](=O)[O-])COCCO","MXOGOOYEWPLTOB-UHFFFAOYSA-N",363705,NA,"PDBC30570","628865","Present",NA,NA
+"30571","AJ-030/12105218",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AJ-030/12105218",NA,"CCOC(=O)C1=C2NC(=S)C3=CC=CC=C3N2C=N1","PBOYOUCPKYBSGA-UHFFFAOYSA-N",3004379,NA,"PDBC30571","649152","Present",NA,NA
+"30572","AJ-030/12105275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AJ-030/12105275",NA,"C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCNCCO","UFVKJRZLPWTALB-UHFFFAOYSA-N",361689,NA,"PDBC30572","624908","Present",NA,NA
+"30573","AJ-030/12105382",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AJ-030/12105382",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)CCCCCCCCCCC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","MWIWWYJBDGAYET-UHFFFAOYSA-N",368436,NA,"PDBC30573","639451","Present",NA,NA
+"30574","AJ-030/12106014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AJ-030/12106014",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCOC(=O)CCCCCCCCC(=O)OCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","WNTKELPULRKGHI-UHFFFAOYSA-N",368818,NA,"PDBC30574","640086","Present",NA,NA
+"30575","AJ-077/33270025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AJ-077/33270025",NA,"C1C2=CC=CC=C2C(=NC3=CC(=CC=C3)[N+](=O)[O-])N1C4=CC(=CC=C4)[N+](=O)[O-]","JVKIXVZIUPLZQK-UHFFFAOYSA-N",376361,NA,"PDBC30575","657193","Present",NA,NA
+"30576","AJ-333/36116012",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AJ-333/36116012",NA,"CN1C=NC(=C1SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]","WVRCLOQDSRMFMU-UHFFFAOYSA-N",364609,NA,"PDBC30576","631137","Present",NA,NA
+"30577","AK-087/42718241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-087/42718241",NA,"CC1=CC(=O)OC2=CC(=C(C(=C12)OC)OC(=O)C)OC","GHCXYHOPWWGQAI-UHFFFAOYSA-N",390803,NA,"PDBC30577","688801","Present",NA,NA
+"30578","AK-245/36639001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-245/36639001",NA,"C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC(=CC(=C5)[N+](=O)[O-])[N+](=O)[O-]","FFNUNXSIDBZWLJ-UHFFFAOYSA-N",380438,NA,"PDBC30578","665961","Present",NA,NA
+"30579","AK-30547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-30547",NA,"CC(C)CN1C=NC2=C1C3=CC=CC=C3N=C2Cl","RRCWSLBKLVBFQD-UHFFFAOYSA-N",383961,NA,"PDBC30579","672965","Present",NA,NA
+"30580","AK-50479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-50479",NA,"CC(C(=O)N(C)OC)NC(=O)OC(C)(C)C","PWQIGBOSLQHOBT-UHFFFAOYSA-N",375613,NA,"PDBC30580","655435","Present",NA,NA
+"30581","AK-60479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-60479",NA,"CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)NCC4=CC(=CC=C4)I)O)O","IPSYPUKKXMNCNQ-UHFFFAOYSA-N",393593,NA,"PDBC30581","695672","Present",NA,NA
+"30582","AK-90640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-90640",NA,"CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)O","NZAMQYCOJSWUAO-UHFFFAOYSA-N",382210,NA,"PDBC30582","669668","Present",NA,NA
+"30583","AK-918/36805037",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-918/36805037",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)OC(=N2)C3=CC=CO3","UAWZFHZIIAPFLC-FLIBITNWSA-N",837954,NA,"PDBC30583","202006","Present",NA,NA
+"30584","AK103525",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK103525",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)NCCO","BBOCDRLDMQHWJP-UHFFFAOYSA-N",243943,NA,"PDBC30584","54251","Present",NA,NA
+"30585","AK117465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK117465",NA,"COC1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O","SIXFVXJMCGPTRB-UHFFFAOYSA-N",380510,NA,"PDBC30585","666125","Present",NA,NA
+"30586","AK123225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK123225",NA,"C1=CSC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=CS4","XGERJWSXTKVPSV-UHFFFAOYSA-N",396294,NA,"PDBC30586","701994","Present",NA,NA
+"30587","AK130152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK130152",NA,"CCOC(=O)C=C1CCC2(CC1)OCCO2","UIWISFUVNHCOBJ-UHFFFAOYSA-N",373318,NA,"PDBC30587","649463","Present",NA,NA
+"30588","AK155881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK155881",NA,"C12=C(C3=NSN=C3C(=C1N=S=N2)Br)Br","JIHWVOHZFVWBMK-UHFFFAOYSA-N",387337,NA,"PDBC30588","681081","Present",NA,NA
+"30589","AK343347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK343347",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)OC","ZAHRDPIWMGLOQJ-UHFFFAOYSA-N",375614,NA,"PDBC30589","655436","Present",NA,NA
+"30590","AK550028",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK550028",NA,"C1=NC2=C(N1C3C(C(C(O3)CN)O)O)N=C(NC2=O)N","JUWYSPSHBRXOGR-UHFFFAOYSA-N",135451589,NA,"PDBC30590","108608","Present",NA,NA
+"30591","ALBB-006676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-006676",NA,"C1(=NO[N+](=C1C2=NON=C2N)[O-])C3=NON=C3N","QWYCOYVXFGGHNW-UHFFFAOYSA-N",394430,NA,"PDBC30591","697882","Present",NA,NA
+"30592","ALBB-007674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-007674",NA,"CN1CCC2=C(C1)C3=CC=CC=C3N2","FYHWPFXPFFPQRT-UHFFFAOYSA-N",97424,NA,"PDBC30592","122300","Present",NA,NA
+"30593","ALBB-012670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-012670",NA,"CC1=CC(=CC=C1)C2=NC(=S)NN2","GKJMGRNQNUBUMM-UHFFFAOYSA-N",690371,NA,"PDBC30593","625819","Present",NA,NA
+"30594","ALBB-012679",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-012679",NA,"C1=CC(=CN=C1)C2=NC(=S)NN2","GAYWCADKXYCKCG-UHFFFAOYSA-N",717047,NA,"PDBC30594","625812","Present",NA,NA
+"30595","ALBB-013490",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-013490",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CCC3=NC=CN3","UACMVISDTWGEFG-UHFFFAOYSA-N",353611,NA,"PDBC30595","602336","Present",NA,NA
+"30596","ALBB-013933",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-013933",NA,"C1=CC=C2C(=C1)C3=C(N2)NC(=O)NC3=O","SDJWQYSENOMSPV-UHFFFAOYSA-N",387240,NA,"PDBC30596","680815","Present",NA,NA
+"30597","ALBB-015497",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-015497",NA,"CC1=C(C(=O)OC2=C1C=CC(=C2)OC(C)C(=O)O)C","HMPAASQVCHUFME-UHFFFAOYSA-N",363671,NA,"PDBC30597","628744","Present",NA,NA
+"30598","ALBB-015720",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-015720",NA,"CC(C(=O)O)OC1=C(C=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)Cl","IHPVIWJZZRTWJJ-UHFFFAOYSA-N",363678,NA,"PDBC30598","628750","Present",NA,NA
+"30599","ALBB-015765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-015765",NA,"C1CCC2=C(C1)C3=C(C4=C(C=C3)C(=CC=C4)O)OC2=O","RJMGRGVAXQHCTH-UHFFFAOYSA-N",223320,NA,"PDBC30599","10848","Present",NA,NA
+"30600","ALBB-017551",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-017551",NA,"C1=CC(=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)O)Cl","BDTDMWIIDULIHT-AUWJEWJLSA-N",734286,NA,"PDBC30600","657008","Present",NA,NA
+"30601","ALBB-017556",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-017556",NA,"COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O","WKCCLTCDMHZBDV-NVNXTCNLSA-N",908660,NA,"PDBC30601","657009","Present",NA,NA
+"30602","ALBB-017564",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-017564",NA,"C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O","KDGIFQNPGMXJCY-ZSOIEALJSA-N",908584,NA,"PDBC30602","657007","Present",NA,NA
+"30603","ALBB-018401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-018401",NA,"C1=CC=C(C=C1)C2=C(SC(=N2)N)CC(=O)O","DKCCMQRKDKYYCA-UHFFFAOYSA-N",291865,NA,"PDBC30603","157421","Present",NA,NA
+"30604","ALBB-019440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-019440",NA,"CC1=NOC2=C1C(=O)CCC2","NHAMNKMCXOKTLD-UHFFFAOYSA-N",365021,NA,"PDBC30604","631956","Present",NA,NA
+"30605","ALBB-019443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-019443",NA,"C1CCC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2CC1","YQEBFSMTFJJIKA-UHFFFAOYSA-N",380986,NA,"PDBC30605","666865","Present",NA,NA
+"30606","ALBB-020191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-020191",NA,"C1CNCCC12NC(=O)C3=CC=CC=C3O2","XJHSSTMIDVOYQO-UHFFFAOYSA-N",379969,NA,"PDBC30606","665276","Present",NA,NA
+"30607","ALBB-021716",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-021716",NA,"C1=CC=C(C=C1)C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C(C4=CC=CC=C4)O)O","WRLJXZCHZYWTBM-YBOYZMIGSA-N",135434936,NA,"PDBC30607","682578","Present",NA,NA
+"30608","ALBB-023357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-023357",NA,"COC1=CC(=CC(=C1OC)OC)C=C[N+](=O)[O-]","PEPYBEJQAIGLRE-SNAWJCMRSA-N",5354916,NA,"PDBC30608","22597","Present",NA,NA
+"30609","ALBB-023764",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-023764",NA,"CN(C)C1=NC(=NC(=N1)N)CCl","WMWUQLMRNQGYEY-UHFFFAOYSA-N",389996,NA,"PDBC30609","686791","Present",NA,NA
+"30610","ALBB-024940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-024940",NA,"C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)Cl","LIBJDHFUUQBZDC-UHFFFAOYSA-N",364724,NA,"PDBC30610","631382","Present",NA,NA
+"30611","ALBB-026706",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-026706",NA,"C(CC1=NC(=NN1)N)C2=NC(=NN2)N","RRIQYSBGTNWGDO-UHFFFAOYSA-N",367266,NA,"PDBC30611","636815","Present",NA,NA
+"30612","ALBB-028726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-028726",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)O2","PKMDOGQJFLVZEJ-UVTDQMKNSA-N",1551216,NA,"PDBC30612","73772","Present",NA,NA
+"30613","ALBB-028776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-028776",NA,"C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)O","XGCIVVYTCDKDLC-UHFFFAOYSA-N",145879,NA,"PDBC30613","629423","Present",NA,NA
+"30614","ALBB-030482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-030482",NA,"CC1=NC(=NN1)CC#N","JPJXXDXAJJOQOX-UHFFFAOYSA-N",390144,NA,"PDBC30614","687212","Present",NA,NA
+"30615","ALOE-EMODIN-GLUCOSIDE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALOE-EMODIN-GLUCOSIDE",NA,NA,NA,NA,NA,"PDBC30615","227187","Present",NA,NA
+"30616","AM-5992",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AM-5992",NA,"CN(CCO)C1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C5=C(C(=NC=C5)F)N(C4=N3)C6CCCC6","MNCSFNFCKABAFF-UHFFFAOYSA-N",58299817,NA,"PDBC30616","777879","Present",NA,NA
+"30617","AM-807/12426021",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AM-807/12426021",NA,"COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)OC)N","XQKUGFIWKSKCDL-UHFFFAOYSA-N",399618,NA,"PDBC30617","710527","Present",NA,NA
+"30618","AM-807/14146364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AM-807/14146364",NA,"COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N","JHLAWDPVIJAQDB-UHFFFAOYSA-N",399617,NA,"PDBC30618","710526","Present",NA,NA
+"30619","AM807651",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AM807651",NA,"COC(=O)C1=CC=C(C=C1)C2=NC(=C(O2)N)C#N","QLKBBHCJJXVAKU-UHFFFAOYSA-N",389300,NA,"PDBC30619","685120","Present",NA,NA
+"30620","AMD-070",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMD-070",NA,"C1CC(C2=C(C1)C=CC=N2)N(CCCCN)CC3=NC4=CC=CC=C4N3","WVLHHLRVNDMIAR-IBGZPJMESA-N",11256587,NA,"PDBC30620","775637","Present",NA,NA
+"30621","AMG-51",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-51",NA,"CN1C(=O)C(=CN=C1NC2=CC=C(C=C2)F)C3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OCCCN6CCOCC6)OC)F","ONSZEUCTVQJHOZ-UHFFFAOYSA-N",11858109,NA,"PDBC30621","794646","Present",NA,NA
+"30622","AMG-510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-510",NA,"CC1CN(CCN1C2=NC(=O)N(C3=NC(=C(C=C32)F)C4=C(C=CC=C4F)O)C5=C(C=CN=C5C(C)C)C)C(=O)C=C","NXQKSXLFSAEQCZ-SFHVURJKSA-N",137278711,NA,"PDBC30622","818433","Present",NA,NA
+"30623","AMG-511",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-511",NA,"CC1=NC(=NC(=N1)N)C2=C(N=CC(=C2)C(C)N3CCN(CC3)S(=O)(=O)C)NC4=CC(=C(N=C4)OC)F","KUGIFHQBIIHRIZ-CYBMUJFWSA-N",56947516,NA,"PDBC30623","782122","Present",NA,NA
+"30624","AMG-925",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-925",NA,"CC1CCC(CC1)N2C3=C(C=CN=C3)C4=CN=C(N=C42)NC5=NC6=C(CN(CC6)C(=O)CO)C=C5","BBUVDDPUURMFOX-UHFFFAOYSA-N",60202647,NA,"PDBC30624","781514","Present",NA,NA
+"30625","AMINOFLAVONE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMINOFLAVONE",NA,"CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)N)F","RTUZVPPGTJRELI-UHFFFAOYSA-N",389710,NA,"PDBC30625","686288","Present",NA,NA
+"30626","AMKA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMKA",NA,"CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)N","RJQIZOKNUKRKTP-UHFFFAOYSA-N",390658,NA,"PDBC30626","688265","Present",NA,NA
+"30627","AMX10183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMX10183",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=NNC(=S)N)S3","JDTOAGDXWYIGER-WTKPLQERSA-N",135499374,NA,"PDBC30627","657702","Present",NA,NA
+"30628","AN-068/11853007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-068/11853007",NA,"CC1=CC=C(C=C1)C(=C2C(=O)OC(=N2)C3=CC=CC=C3)C","QFFMBOXLYJKPKE-SSZFMOIBSA-N",1549406,NA,"PDBC30628","330789","Present",NA,NA
+"30629","AN-068/11854001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-068/11854001",NA,"CN1C(=O)C(=CC2=CC=C(C=C2)OC)N=C1SC","CMNJPCSSBYHLND-FLIBITNWSA-N",1781841,NA,"PDBC30629","709987","Present",NA,NA
+"30630","AN-308/15495050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-308/15495050",NA,"CC(=O)OC1=CC=C(C=C1)C2=CC3=C(C=C(C=C3)OC(=O)C)OC2=O","LFPNSUWIISXTOM-UHFFFAOYSA-N",384025,NA,"PDBC30630","673135","Present",NA,NA
+"30631","AN-308/25123036",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-308/25123036",NA,"C1=CC(=C(C=C1C=CC(=O)C2=CC(=CC(=C2)O)O)O)O","IMJNGPIIYAZDIH-HNQUOIGGSA-N",5468169,NA,"PDBC30631","665697","Present",NA,NA
+"30632","AN-584/40178629",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-584/40178629",NA,"CC1=CC2=C(C=C1)NC(=C2N=NC(=NC(=O)C)NC(=O)C)O","ZKCYFYQKWPQDDY-UHFFFAOYSA-N",394282,NA,"PDBC30632","697648","Present",NA,NA
+"30633","AN-689/40796296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/40796296",NA,"CN1C2=CC=CC=C2SC1=NC3=CC=C(C=C3)Cl","REKRGCCHFORPEM-UHFFFAOYSA-N",383260,NA,"PDBC30633","671374","Present",NA,NA
+"30634","AN-689/41741114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741114",NA,"CCOC(=O)C1=CC=C(C=C1)N=C2C(=S)N(C(=N)N2N=CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)OCC","PPWWMEHILXUKFM-MZKVBFHMSA-N",9574762,NA,"PDBC30634","671404","Present",NA,NA
+"30635","AN-689/41741167",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741167",NA,"C1CCC(CC1)N=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5CCCCC5","TXPDBMSODBCQAQ-UHFFFAOYSA-N",383244,NA,"PDBC30635","671358","Present",NA,NA
+"30636","AN-689/41741172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741172",NA,"CN(C)C(=O)N=C1N(C(=NC2=CC=CC=C2)C(=NC3=CC=CC=C3)S1)C4=CC=C(C=C4)[N+](=O)[O-]","ZCBSOWHXFXLHIB-BIAVWRTASA-N",9571487,NA,"PDBC30636","671360","Present",NA,NA
+"30637","AN-689/41741176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741176",NA,"CN(C)C(=S)N=C1N(C(=NC2=CC=CC=C2)C(=NC3=CC=CC=C3)S1)C4=CC=C(C=C4)[N+](=O)[O-]","MPICYEOTAFJEMR-BIAVWRTASA-N",9571488,NA,"PDBC30637","671361","Present",NA,NA
+"30638","AN-689/41741183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741183",NA,"COC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)OC)SC(=NC(=NC4=CC=CC=C4)SCC5=CC=CC=C5)N2C6=CC=CC=C6","OZGSLLJSNBWCJV-LBMGDAQISA-N",9571489,NA,"PDBC30638","671362","Present",NA,NA
+"30639","AN-689/41741189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741189",NA,"CCOC(=O)C1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C(=O)OCC)SC4=NC5=CC=CC=C5N24","YIPAKXVAODDAPV-UHFFFAOYSA-N",381172,NA,"PDBC30639","667502","Present",NA,NA
+"30640","AN-689/41741191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741191",NA,"CN(C)C1=CC=C(C=C1)N=C2N=C(C(=NC3=CC=CC=C3)S2)NC4=CC=CC=C4","ZVDZXGJOEJSOLX-UHFFFAOYSA-N",381173,NA,"PDBC30640","667503","Present",NA,NA
+"30641","AN-689/41741230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741230",NA,"C1CCC(=O)C(=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5)C1","UQFVZTVHLXGIEC-GYYLHCQHSA-N",1777592,NA,"PDBC30641","671372","Present",NA,NA
+"30642","AN-689/41741234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741234",NA,"CC1=C(SC2=C1SC(=NC3=CC=CC=C3)C(=N2)NC4=CC=CC=C4)C(=O)OC","MBINCLXVPMCZDM-UHFFFAOYSA-N",383315,NA,"PDBC30642","671428","Present",NA,NA
+"30643","AN-689/41741235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741235",NA,"CC1=CC=C(C=C1)NC2=NC3=C(C4=CC=CC=C4C=C3)OC2=NC5=CC=C(C=C5)C","GSOTZVOLIKXGDS-UHFFFAOYSA-N",383316,NA,"PDBC30643","671429","Present",NA,NA
+"30644","AN-689/41741274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741274",NA,"CCOC(=O)C1=CC=C(C=C1)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=S)C(=O)C5=CC=CC=C5","OOHVOTWGFMNBOX-UHFFFAOYSA-N",383275,NA,"PDBC30644","671389","Present",NA,NA
+"30645","AN-689/41741276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741276",NA,"COC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)OC)N(C(=S)N2C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","UMUPUNINBAEZED-UHFFFAOYSA-N",383276,NA,"PDBC30645","671390","Present",NA,NA
+"30646","AN-689/41741277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741277",NA,"C1=CC=C(C=C1)C(=O)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=S)C5=CC=C(C=C5)[N+](=O)[O-]","FDTUXDSHYPJUHS-UHFFFAOYSA-N",383277,NA,"PDBC30646","671391","Present",NA,NA
+"30647","AN-689/41741279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741279",NA,"C1=CC=C(C=C1)C(=O)N2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=S)C5=CC=CC=N5","WYXBGZIUFLMIHM-UHFFFAOYSA-N",383278,NA,"PDBC30647","671392","Present",NA,NA
+"30648","AN-689/41741286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741286",NA,"CN(C)C(=S)N1C(=NC2=CC=CC=C2)C(=NC3=CC=CC=C3)N(C1=S)C4=CC=CC=C4","NLFNSWMTPUMXMU-UHFFFAOYSA-N",383281,NA,"PDBC30648","671395","Present",NA,NA
+"30649","AN-689/41741301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741301",NA,"COC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)OC)N(C(=S)N2C4=CC=C(C=C4)OC)S(=O)(=O)C5=CC=CC=C5","MFRQJFXQNKYWMD-UHFFFAOYSA-N",383282,NA,"PDBC30649","671396","Present",NA,NA
+"30650","AN-689/41741322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741322",NA,"COC1=CC=C(C=C1)C(=O)N=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N2C5=CC=CC=C5)C6=CC=CC=C6","JSEDJJGSOXUUEC-UHFFFAOYSA-N",383265,NA,"PDBC30650","671379","Present",NA,NA
+"30651","AN-689/41741324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741324",NA,"C1CCC(CC1)N=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N2C5=CC=CC=C5)C6CCCCC6","KRPRBJCVXFXTQL-UHFFFAOYSA-N",383266,NA,"PDBC30651","671380","Present",NA,NA
+"30652","AN-689/41741331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741331",NA,"C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=O)N(C4=S)C5=CC=CC=C5","GVIHDHCLWDSPAH-UHFFFAOYSA-N",383269,NA,"PDBC30652","671383","Present",NA,NA
+"30653","AN-689/41741358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741358",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC4=CC=CC=C4S2","FMVHAGUFSUOTQL-UHFFFAOYSA-N",383308,NA,"PDBC30653","671421","Present",NA,NA
+"30654","AN-689/41741368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741368",NA,"C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2=NC4=CC=CC=C4","OSQWYROEDCNOBF-UHFFFAOYSA-N",383311,NA,"PDBC30654","671424","Present",NA,NA
+"30655","AN-689/41741371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-689/41741371",NA,"CC1=CC2=C(C=C1)N=C(C(=N2)NC3=CC=CC=C3C)NC4=CC=CC=C4C","VRKOWXRBFVDDTC-UHFFFAOYSA-N",383313,NA,"PDBC30655","671426","Present",NA,NA
+"30656","AN-967/15488073",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-967/15488073",NA,"CC(C)OC1=C(C(=O)C1=O)C2(SCCCS2)C3=CC=CC=C3","LNEKMUXILAEQNF-UHFFFAOYSA-N",394554,NA,"PDBC30656","698099","Present",NA,NA
+"30657","AN-967/15488138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-967/15488138",NA,"COC1=CC=CC=C1C2(SCCCS2)C3=C(C(=O)C3=O)OC","KJKNNEHSYGWDMA-UHFFFAOYSA-N",394556,NA,"PDBC30657","698101","Present",NA,NA
+"30658","AN-967/15488305",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-967/15488305",NA,"CC1=CC=C(N1C2=CC=CC=C2C3C=CN(C=C3)C(=O)OC(C)(C)C)C","CLOGJUWMHNOZNL-UHFFFAOYSA-N",389260,NA,"PDBC30658","685013","Present",NA,NA
+"30659","AN-975/13809008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AN-975/13809008",NA,"C=C(CN1C2=CC=CC=C2C=CC3=CC=CC=C31)Cl","GVINZBGXIHBHST-UHFFFAOYSA-N",402688,NA,"PDBC30659","716874","Present",NA,NA
+"30660","ANEMONIA SULCATA, BASIC PROTEINASE-INHIBITORS FROM THE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANEMONIA SULCATA, BASIC PROTEINASE-INHIBITORS FROM THE",NA,NA,NA,NA,NA,"PDBC30660","327181","Present",NA,NA
+"30661","ANEMONIA SULCATA, PROTEINASE INHIBITOR FROM (INHIBITOR #2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANEMONIA SULCATA, PROTEINASE INHIBITOR FROM (INHIBITOR #2)",NA,NA,NA,NA,NA,"PDBC30661","311148","Present",NA,NA
+"30662","ANFLIXLNSGXOAS-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANFLIXLNSGXOAS-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C=CC=C2OCC(CN3C(=O)C4=CC=CC=C4C3=O)O","ANFLIXLNSGXOAS-UHFFFAOYSA-N",382205,NA,"PDBC30662","669665","Present",NA,NA
+"30663","ANHAXLUSWJFDQE-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANHAXLUSWJFDQE-UHFFFAOYSA-N",NA,"CC(=O)OC1(N=NC2(O1)CCCCC2)C","ANHAXLUSWJFDQE-UHFFFAOYSA-N",329320,NA,"PDBC30663","311166","Present",NA,NA
+"30664","ANHYDROBENZOQUINONE, BIS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANHYDROBENZOQUINONE, BIS",NA,"CCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)OC3=C(N2C4=CC=C(C=C4)N(C)C)C(=O)C(=C(C3=O)CCCCCCCCCCC)O)O","VJOBOOHGRTUVAG-UHFFFAOYSA-N",259699,NA,"PDBC30664","89850","Present",NA,NA
+"30665","ANM100741",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANM100741",NA,"C1=CC(=C(C=C1Cl)[N+](=O)[O-])C=C[N+](=O)[O-]","ATWYJPVTSBKBHB-ONEGZZNKSA-N",5354452,NA,"PDBC30665","10986","Present",NA,NA
+"30666","ANM102934",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANM102934",NA,"COC1=C(C=C(C(=C1)C=C[N+](=O)[O-])[N+](=O)[O-])OC","LUCVJGSTUQBGFD-ONEGZZNKSA-N",5705391,NA,"PDBC30666","105307","Present",NA,NA
+"30667","ANTINEOPLASTIC-114442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-114442",NA,"CC1=NN(C(=O)C1N=NC2=CC(=C(C=C2)[As](=O)(O)O)O)C3=CC=CC=C3","ZOTUZVQXFGIAFG-UHFFFAOYSA-N",271056,NA,"PDBC30667","114442","Present",NA,NA
+"30668","ANTINEOPLASTIC-117281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-117281",NA,"C1=CC(=C(C=C1N=NC2=C(N=C(N=C2N)N)N)O)[As](=O)(O)O","KDRNTLJSSMMJLN-UHFFFAOYSA-N",272658,NA,"PDBC30668","117281","Present",NA,NA
+"30669","ANTINEOPLASTIC-15600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-15600",NA,"C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=CC(=C(C=C3O)O)[As](=O)(O)O)N=NC4=CC(=C(C=C4O)O)[As](=O)(O)O","FJBJBBIFICYJMB-UHFFFAOYSA-N",225809,NA,"PDBC30669","15600","Present",NA,NA
+"30670","ANTINEOPLASTIC-298841",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-298841",NA,"CC[As](CC)SCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","XOZFDBRVEUXRRA-UHFFFAOYSA-N",326780,NA,"PDBC30670","298841","Present",NA,NA
+"30671","ANTINEOPLASTIC-400008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-400008",NA,"C1=CC(=C(C=C1[As](C2=CC(=C(C=C2)O)[N+](=O)[O-])Br)[N+](=O)[O-])O","OMJNTTGUVBGBLD-UHFFFAOYSA-N",343613,NA,"PDBC30671","400008","Present",NA,NA
+"30672","ANTINEOPLASTIC-624657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-624657",NA,NA,NA,NA,NA,"PDBC30672","624657","Present",NA,NA
+"30673","ANTINEOPLASTIC-624658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-624658",NA,NA,NA,NA,NA,"PDBC30673","624658","Present",NA,NA
+"30674","ANTINEOPLASTIC-624659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-624659",NA,NA,NA,NA,NA,"PDBC30674","624659","Present",NA,NA
+"30675","ANTINEOPLASTIC-625543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-625543",NA,NA,NA,NA,NA,"PDBC30675","625543","Present",NA,NA
+"30676","ANTINEOPLASTIC-633273",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-633273",NA,NA,NA,NA,NA,"PDBC30676","633273","Present",NA,NA
+"30677","ANTINEOPLASTIC-638479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-638479",NA,"COC1=CC=C(C=C1)CC(C#N)C2=CC(=C(C(=C2)OC)OC)OC","SBMZSVIBRCQFRR-UHFFFAOYSA-N",368136,NA,"PDBC30677","638479","Present",NA,NA
+"30678","ANTINEOPLASTIC-644916",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-644916",NA,NA,NA,NA,NA,"PDBC30678","644916","Present",NA,NA
+"30679","ANTINEOPLASTIC-651589",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-651589",NA,"CC(C)C1=NN(C(C1)C2=CC=C(C=C2)Cl)C(CC(=O)C(C)C)C3=CC=C(C=C3)Cl","NBOLRIBMMHCLND-UHFFFAOYSA-N",374135,NA,"PDBC30679","651589","Present",NA,NA
+"30680","ANTINEOPLASTIC-654376",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-654376",NA,NA,NA,NA,NA,"PDBC30680","654376","Present",NA,NA
+"30681","ANTINEOPLASTIC-654379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-654379",NA,NA,NA,NA,NA,"PDBC30681","654379","Present",NA,NA
+"30682","ANTINEOPLASTIC-92577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-92577",NA,"C1=CC(=CC=C1NC(=O)C2=C(N3C(=NN=N3)N=C2)N)[As](=O)(O)O","CQXQDIQTLLLQSY-UHFFFAOYSA-N",260823,NA,"PDBC30682","92577","Present",NA,NA
+"30683","AO-040/41077078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-040/41077078",NA,"CSC1=C2CCCCCC2=CC(=N1)C3=NC(=C4CCCCCC4=C3)SC","WZDYMNLTFJEVQX-UHFFFAOYSA-N",397519,NA,"PDBC30683","705817","Present",NA,NA
+"30684","AO-079/14332005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-079/14332005",NA,"CCOC(=O)N1C2C=C(C(C3N1C(=O)C3C)ON2C(=O)C4=CC=CC=C4)C","IGNFLHPTHATALL-UHFFFAOYSA-N",365482,NA,"PDBC30684","633115","Present",NA,NA
+"30685","AO-079/14332027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-079/14332027",NA,"CCOC(=O)N1C2C=C(C(C3N1C(=O)C3C)N(O2)C(=O)C4=CC=CC=C4)C","OJTAKJORQOHLEH-UHFFFAOYSA-N",365481,NA,"PDBC30685","633114","Present",NA,NA
+"30686","AO-240/14587015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-240/14587015",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2C4=NC5=CC=CC=C5S4","WJMZWTVDTJOJFC-RGEXLXHISA-N",1815886,NA,"PDBC30686","713685","Present",NA,NA
+"30687","AO-267/15176072",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-267/15176072",NA,"CC1=NN(CC1)C2=NC(=NC(=N2)N)CCl","SENXUALRENKBCQ-UHFFFAOYSA-N",389995,NA,"PDBC30687","686789","Present",NA,NA
+"30688","AO-267/15176074",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-267/15176074",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CBr","RWPOJZGGDICCEL-UHFFFAOYSA-N",393944,NA,"PDBC30688","696916","Present",NA,NA
+"30689","AO-476/14513013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/14513013",NA,"CC1=C(C(=C2C=C(C=C(C2=N1)OC)OC)Cl)CCCl","PVOFRFSALKQPSX-UHFFFAOYSA-N",384145,NA,"PDBC30689","673432","Present",NA,NA
+"30690","AO-476/15509042",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/15509042",NA,"C1=CC=C(C=C1)C2=C(C(=O)N3C4=CC=CC=C4NC3=C2C#N)N=NC5=CC=C(C=C5)Cl","IOGJGXZBBWUMIC-UHFFFAOYSA-N",395422,NA,"PDBC30690","699958","Present",NA,NA
+"30691","AO-476/40672106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/40672106",NA,"CN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)CCCC4)C#N","UATCTFMTNNUUMP-UHFFFAOYSA-N",364723,NA,"PDBC30691","631381","Present",NA,NA
+"30692","AO-476/40672119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/40672119",NA,"C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=CC(=C5)C(F)(F)F","FHLXZAHRRRIIFQ-UHFFFAOYSA-N",395403,NA,"PDBC30692","699939","Present",NA,NA
+"30693","AO-476/40672135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/40672135",NA,"CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)Cl","AJOOUUVRHNKUBF-UHFFFAOYSA-N",383091,NA,"PDBC30693","671135","Present",NA,NA
+"30694","AO-476/40672189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/40672189",NA,"CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5","YLULRLPADPIIIF-UHFFFAOYSA-N",383096,NA,"PDBC30694","671140","Present",NA,NA
+"30695","AO-476/40672190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/40672190",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCC#N","OEKUOZQJYQDZHW-UHFFFAOYSA-N",383058,NA,"PDBC30695","671102","Present",NA,NA
+"30696","AO-476/40680759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/40680759",NA,"CC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2Cl","QXADQJCWOIEYOS-ZHACJKMWSA-N",5388430,NA,"PDBC30696","635965","Present",NA,NA
+"30697","AO-476/40829203",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/40829203",NA,"CC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O","NTHPNPZTOAZBEV-UHFFFAOYSA-N",376042,NA,"PDBC30697","656441","Present",NA,NA
+"30698","AO-476/40921633",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/40921633",NA,"C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)O)C(=O)N(C2=S)C4=CC=CC=C4","JPWPIMNPAQVILH-UHFFFAOYSA-N",376040,NA,"PDBC30698","656439","Present",NA,NA
+"30699","AO-476/42169306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/42169306",NA,"CC1=NN2C(=O)C3=C(N=C2SC1)SC4=C3CCCC4","RFTLVGJWPYRLLQ-UHFFFAOYSA-N",387514,NA,"PDBC30699","681325","Present",NA,NA
+"30700","AO-476/42169407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/42169407",NA,"C1C(=NN2C(=O)C3=C(N=C2S1)SC(=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl","ZIZDSYFEWBHIIK-UHFFFAOYSA-N",384943,NA,"PDBC30700","675767","Present",NA,NA
+"30701","AO-476/43380492",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/43380492",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CO3","DZDATXSRPCXDQF-UHFFFAOYSA-N",368866,NA,"PDBC30701","640205","Present",NA,NA
+"30702","AO-476/43380573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/43380573",NA,"CCOC(=O)C1CCC2=C1C(=C(S2)N)C(=O)OCC","KFVIJNDDNWYXSZ-UHFFFAOYSA-N",383361,NA,"PDBC30702","671475","Present",NA,NA
+"30703","AO-476/43380649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/43380649",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)SCC(=N3)C4=CC=C(C=C4)OC)C","QSZBJHDIGJKLFQ-UHFFFAOYSA-N",384940,NA,"PDBC30703","675763","Present",NA,NA
+"30704","AO-476/43415862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/43415862",NA,"CC1=C(N=C(NC1=O)N2C(=O)C(=C(N2)C)CCO)O","GDHUYCXJCDSRLV-UHFFFAOYSA-N",387163,NA,"PDBC30704","680677","Present",NA,NA
+"30705","AO-476/43415863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/43415863",NA,"CC1=C(C(=O)N(N1)C2=NC3=C(CCC3)C(=O)N2)CCO","QABAVMUVVKBDCW-UHFFFAOYSA-N",135409193,NA,"PDBC30705","664722","Present",NA,NA
+"30706","AO-638/40907134",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-638/40907134",NA,"C1=CC2=C(C(=C1)Cl)C(C3=C(C2(C4=CC=CS4)O)C=CC=C3Cl)(C5=CC=CS5)O","OKLRWQCUSWXCEC-UHFFFAOYSA-N",402491,NA,"PDBC30706","716517","Present",NA,NA
+"30707","AOB6494",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AOB6494",NA,"COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC=CC=C4","SMEJQLRLHKWIFV-UHFFFAOYSA-N",91826517,NA,"PDBC30707","756093","Present",NA,NA
+"30708","AOCZIGJIXLUOCB-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AOCZIGJIXLUOCB-UHFFFAOYSA-N",NA,"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C(=O)OCC)(C(F)(F)F)NC(=O)C4=CC=CC=C4)F)C(=O)O","AOCZIGJIXLUOCB-UHFFFAOYSA-N",384775,NA,"PDBC30708","675211","Present",NA,NA
+"30709","AOD100912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AOD100912",NA,"CC1=CC=C(C=C1)NC(=O)CCC2=NN=C(O2)N","DHXRYRUNICDEBU-UHFFFAOYSA-N",366623,NA,"PDBC30709","635298","Present",NA,NA
+"30710","AOD100951",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AOD100951",NA,"CC1=NC2=CC=CC=C2N1CC3=NN=C(O3)N","VRHRZJXFRDJLHQ-UHFFFAOYSA-N",396633,NA,"PDBC30710","703132","Present",NA,NA
+"30711","AOH1160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AOH1160",NA,"C1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43","COPRLRLXDBSLET-UHFFFAOYSA-N",126718383,NA,"PDBC30711","785901","Present",NA,NA
+"30712","AP-013/40848470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AP-013/40848470",NA,"CC1CC2=C(C(NC3=CC=CC=C3N2)C4=CC=CC=C4)C(=O)O1","YBSLINJTEXAWIR-UHFFFAOYSA-N",367663,NA,"PDBC30712","637579","Present",NA,NA
+"30713","AQ-358/41842922",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-358/41842922",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=C(C=C(C=C2OC)OC)O)OCC3=CC=CC=C3","NXHJAZOWUGWKMU-PKNBQFBNSA-N",5935211,NA,"PDBC30713","628297","Present",NA,NA
+"30714","AQ-405/42300332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-405/42300332",NA,"C1=CC=C(C=C1)C(=O)N2C=CC3=CC=CC=C3C2(CC4=CC=CC=C4Cl)C#N","XAOLJOPFKCXITG-UHFFFAOYSA-N",363396,NA,"PDBC30714","628299","Present",NA,NA
+"30715","AQ-776/42801086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801086",NA,"CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)S(=O)(=O)C)S(=O)(=O)C4=CC=CC=C4","MZENASMHSLROCL-UHFFFAOYSA-N",396967,NA,"PDBC30715","704204","Present",NA,NA
+"30716","AQ-776/42801162",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801162",NA,"C1C2=CC=CC=C2CN3C1=NC(=C3)C4=CC(=CC=C4)[N+](=O)[O-]","LBRLJERWEFMOLH-UHFFFAOYSA-N",392521,NA,"PDBC30716","693037","Present",NA,NA
+"30717","AQ-776/42801277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801277",NA,"C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2)(C4=CC5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6)NS(=O)(=O)C7=CC=CC=C7","CUBUZXNHXLGVLY-UHFFFAOYSA-N",392289,NA,"PDBC30717","692423","Present",NA,NA
+"30718","AQ-776/42801516",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801516",NA,"C1=CC(=CC=C1C2=CN3C=C(C=CC3=N2)C(F)(F)F)O","RCUBJVBTFOLMQT-UHFFFAOYSA-N",398323,NA,"PDBC30718","708037","Present",NA,NA
+"30719","AQ-776/42801543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801543",NA,"CCON1CC(=C(C1=O)O)C(=O)OC","IZGSKVUPTAFAKP-UHFFFAOYSA-N",54680385,NA,"PDBC30719","694112","Present",NA,NA
+"30720","AQ-776/42801554",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801554",NA,"CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)Br","BUNKLDSLDJHWNF-UHFFFAOYSA-N",392536,NA,"PDBC30720","693052","Present",NA,NA
+"30721","AQ-776/42801608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801608",NA,"COC1=CC2=C(C=C1)NC(=C2)C(CC3=CN=CC=C3)(CC4=CN=CC=C4)O","TWDFZWIOFZVKEX-UHFFFAOYSA-N",393321,NA,"PDBC30721","694986","Present",NA,NA
+"30722","AQ-776/42801638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801638",NA,"COC1=CC2=C(C=C1)C(=C(N2)C(=O)O)CCN","BMXXBEUPHOWECR-UHFFFAOYSA-N",397008,NA,"PDBC30722","704244","Present",NA,NA
+"30723","AQ-776/42801773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801773",NA,"CCOC(=O)C1=CC(=C(N1C)C2=CC(=NO2)C)I","RLDDOOILKIVGEU-UHFFFAOYSA-N",392532,NA,"PDBC30723","693048","Present",NA,NA
+"30724","AQ-911/41961828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-911/41961828",NA,"C1=CC(=C(C=C1Cl)Cl)C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O","CQWCZKKNYNJFOQ-UHFFFAOYSA-N",366719,NA,"PDBC30724","635436","Present",NA,NA
+"30725","AQ-911/41961839",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-911/41961839",NA,"C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3NC2=O)Cl)Cl)O)Cl","IRLUUOKUJMDTAG-UHFFFAOYSA-N",366720,NA,"PDBC30725","635437","Present",NA,NA
+"30726","AQ-911/41962127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-911/41962127",NA,"C1=CC=C(C(=C1)NC(=O)CCC2=NC(=S)NN2)Cl","MITMIRKANUUKLD-UHFFFAOYSA-N",852529,NA,"PDBC30726","635540","Present",NA,NA
+"30727","AQ-911/41963430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-911/41963430",NA,"COC1=CC=C(C=C1)C(=NNC(=O)N)CC2C3=CC=CC=C3C(=O)O2","BTEQIWOOAIBYES-HKWRFOASSA-N",9555895,NA,"PDBC30727","647603","Present",NA,NA
+"30728","AQ-911/41964338",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-911/41964338",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3F)C(=O)NC4=CC=CC=C4OC","BOGCUJNHMNTNJH-UHFFFAOYSA-N",361073,NA,"PDBC30728","623877","Present",NA,NA
+"30729","AQ-911/41964346",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-911/41964346",NA,"COCCCNC(=O)C1C(=O)C(=O)N(C1=O)CCCOC","MSJCGAASNHOONL-UHFFFAOYSA-N",361075,NA,"PDBC30729","623880","Present",NA,NA
+"30730","AQ-911/42282615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-911/42282615",NA,"C1=CC(=C(C=C1Cl)Cl)CSCC2=C(C=C(C=C2)Cl)Cl","OSXGEIHFRWKWMQ-UHFFFAOYSA-N",223826,NA,"PDBC30730","11850","Present",NA,NA
+"30731","AR-685/11571500",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/11571500",NA,"COC1=CC=CC(=C1OC)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","UVIGPWQADGJLAG-RMKNXTFCSA-N",7720068,NA,"PDBC30731","736578","Present",NA,NA
+"30732","AR-685/40364930",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/40364930",NA,"C1=CSC(=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl","VTGXROIWNWMNKF-GQCTYLIASA-N",8858308,NA,"PDBC30732","733134","Present",NA,NA
+"30733","AR-685/43306209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43306209",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=C(C=C2Cl)Cl)F","FUPRFHKOAGSTLA-SNAWJCMRSA-N",9448385,NA,"PDBC30733","736591","Present",NA,NA
+"30734","AR-685/43306214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43306214",NA,"C1=COC(=C1)C=CC(=O)C2=CC(=C(C=C2Cl)Cl)F","UJMPMBRVEDWYHI-ONEGZZNKSA-N",11842502,NA,"PDBC30734","736594","Present",NA,NA
+"30735","AR-685/43306228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43306228",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)SC","RYNQDMYNQOFGJT-BJMVGYQFSA-N",16044723,NA,"PDBC30735","733149","Present",NA,NA
+"30736","AR-685/43306239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43306239",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC=C(C=C2)SC)OC","AREMRVYTBWASKC-ONNFQVAWSA-N",11842505,NA,"PDBC30736","733153","Present",NA,NA
+"30737","AR-685/43306246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43306246",NA,"COC1=CC=CC(=C1OC)C=CC(=O)C2=CC=C(C=C2)SC","WPVLMUBZJGDVJD-FMIVXFBMSA-N",11842507,NA,"PDBC30737","733157","Present",NA,NA
+"30738","AR-685/43306280",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43306280",NA,"C1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)C3=CC=C(C=C3)F","BPHUCTYBRVDPGG-UHFFFAOYSA-N",3364434,NA,"PDBC30738","734512","Present",NA,NA
+"30739","AR-685/43306289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43306289",NA,"CSC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2Cl","CWZSALSXZKSLRA-DHZHZOJOSA-N",11842511,NA,"PDBC30739","733145","Present",NA,NA
+"30740","AR-685/43307761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43307761",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC=CC=C3OC","GLOQWBOAQSMSKV-ZRDIBKRKSA-N",16004656,NA,"PDBC30740","733144","Present",NA,NA
+"30741","AR-685/43307762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43307762",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC(=CC=C3)OC","GGQNSEKBLAIFSQ-IZZDOVSWSA-N",7947309,NA,"PDBC30741","729974","Present",NA,NA
+"30742","AR-685/43307765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43307765",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","IKVLEJHXISCRHT-BJMVGYQFSA-N",6214002,NA,"PDBC30742","729530","Present",NA,NA
+"30743","AR-685/43307772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43307772",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=CC=CO3","QRJAJPBPJLEPCJ-CMDGGOBGSA-N",16044754,NA,"PDBC30743","729532","Present",NA,NA
+"30744","AR-685/43307781",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43307781",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C=CC3=C(C(=CC=C3)OC)OC","VZFVGMQFNWHMSO-ZRDIBKRKSA-N",8108844,NA,"PDBC30744","733142","Present",NA,NA
+"30745","AR-685/43307786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43307786",NA,"COC1=CC=CC=C1N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","BISZVUFVGUNKSI-UHFFFAOYSA-N",396384,NA,"PDBC30745","702337","Present",NA,NA
+"30746","AR-685/43307788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43307788",NA,"COC1=CC=C(C=C1)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","BAHRKLJWKUVIAV-UHFFFAOYSA-N",396389,NA,"PDBC30746","702342","Present",NA,NA
+"30747","AR-685/43362993",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-685/43362993",NA,"COC1=CC(=C(C=C1)OC)C=CC(=O)C2=CC=C(C=C2)SC","IWLVKWLYIZMCMA-UXBLZVDNSA-N",11842566,NA,"PDBC30747","733154","Present",NA,NA
+"30748","ARONIS002269",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS002269",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]","HHJYHWPKXWRLIE-UHFFFAOYSA-N",3776068,NA,"PDBC30748","116536","Present",NA,NA
+"30749","ARONIS017815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS017815",NA,"CC1=CC=C(C=C1)NC(=S)N=NC2=C(NC3=CC=CC=C32)O","RBMZNGCBFOXSBC-UHFFFAOYSA-N",707890,NA,"PDBC30749","668502","Present",NA,NA
+"30750","ARONIS017818",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS017818",NA,"CC1=CC(=CC=C1)NC(=S)N=NC2=C(NC3=CC=CC=C32)O","HIEKGGIFSRYTJJ-UHFFFAOYSA-N",772848,NA,"PDBC30750","668501","Present",NA,NA
+"30751","ARONIS017955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS017955",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)O)O","PMJGWWMIDKKJOA-REZTVBANSA-N",135455583,NA,"PDBC30751","617581","Present",NA,NA
+"30752","ARONIS018122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS018122",NA,"CC1=C(C2=CC=CC=C2N1)C=NNC(=O)C3=CC(=CC=C3)I","IPZDQWCCHSPUGY-VXLYETTFSA-N",135436292,NA,"PDBC30752","717570","Present",NA,NA
+"30753","ARONIS022268",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS022268",NA,"CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)OC","WUDTVMSBDXPXSY-UHFFFAOYSA-N",391236,NA,"PDBC30753","690133","Present",NA,NA
+"30754","ARQ monoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARQ monoacetate",NA,"CC(=O)OC1=C(C(=O)C(=C(C1=O)C2=CN(C3=CC=CC=C32)C(C)(C)C=C)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C","UGDNNEPDNMTIIF-UHFFFAOYSA-N",385441,NA,"PDBC30754","676676","Present",NA,NA
+"30755","ARQ-621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARQ-621",NA,"C#CCC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1NC3=CC=CC=C3)N(CCCN)C(=O)C4=C(C(=CC=C4)Cl)F","UPJSUQWHUVLLNW-XMMPIXPASA-N",25110841,NA,"PDBC30755","771644","Present",NA,NA
+"30756","ARQ-680",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARQ-680",NA,"CN1C=CC(=N1)S(=O)(=O)N2CCCC(C2)NC3=NC=CC(=N3)C4=C(N=C5N4C=CO5)C6=CC(=CC=C6)O","NSMKGFAMLZCLIG-KRWDZBQOSA-N",155813556,NA,"PDBC30756","764765","Present",NA,NA
+"30757","ARS-1620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARS-1620",NA,"C=CC(=O)N1CCN(CC1)C2=NC=NC3=C(C(=C(C=C32)Cl)C4=C(C=CC=C4F)O)F","ZRPZPNYZFSJUPA-UHFFFAOYSA-N",137003167,NA,"PDBC30757","812172","Present",NA,NA
+"30758","ARSINE, DICHLORO(m-NITROPHENYL)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-nitrophenyl)arsonous dichloride",NA,"C1=CC(=CC(=C1)[As](Cl)Cl)[N+](=O)[O-]","OVXJYMMNEZNCEF-UHFFFAOYSA-N",22753,NA,"PDBC30758","41658","Present",NA,NA
+"30759","ARTENIMOL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARTENIMOL",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)O)C","BJDCWCLMFKKGEE-SUZORCHOSA-N",11832956,NA,"PDBC30759","758682","Present",NA,NA
+"30760","ARV-825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARV-825",NA,"CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)OCCOCCOCCOCCNC5=CC=CC6=C5C(=O)N(C6=O)C7CCC(=O)NC7=O)C8=CC=C(C=C8)Cl)C","RWLOGRLTDKDANT-TYIYNAFKSA-N",92044400,NA,"PDBC30760","789043","Present",NA,NA
+"30761","ARYQUDZGCDBUOR-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARYQUDZGCDBUOR-UHFFFAOYSA-N",NA,"CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl","ARYQUDZGCDBUOR-UHFFFAOYSA-N",341910,NA,"PDBC30761","376353","Present",NA,NA
+"30762","AS-40613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-40613",NA,"C1C(=O)NC2=C(S1)C=C(C=C2)[N+](=O)[O-]","OOICZQBVVODNDJ-UHFFFAOYSA-N",370121,NA,"PDBC30762","642713","Present",NA,NA
+"30763","AS-58580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-58580",NA,"CCOC(=O)C1=CC(=O)N(C(=O)N1C)C","PPASXNXFADOELD-UHFFFAOYSA-N",362785,NA,"PDBC30763","627062","Present",NA,NA
+"30764","AS-68663",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-68663",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2","BWVIJZMNBPNLNG-UHFFFAOYSA-N",135452703,NA,"PDBC30764","678390","Present",NA,NA
+"30765","AS-8071",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-8071",NA,"C1=CC(=C(C=C1C2=CSC(=N2)N)[N+](=O)[O-])Cl","ZPUHVFRPRSFXEG-UHFFFAOYSA-N",359463,NA,"PDBC30765","620328","Present",NA,NA
+"30766","ASMZQCLUQZYHPS-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASMZQCLUQZYHPS-UHFFFAOYSA-N",NA,"C1CC2=C3C(=CC=C2)C(=O)C(C(=O)N3C1)(C4=CC=CC=C4)N=[N+]=[N-]","ASMZQCLUQZYHPS-UHFFFAOYSA-N",375213,NA,"PDBC30766","654611","Present",NA,NA
+"30767","ASP-3026",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASP-3026",NA,"CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=N2)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCN(CC5)C)OC","MGGBYMDAPCCKCT-UHFFFAOYSA-N",25134326,NA,"PDBC30767","765865","Present",NA,NA
+"30768","ASP-5878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASP-5878",NA,"COC1=CC(=C(C(=C1F)COC2=CN=C(N=C2)NC3=CN(N=C3)CCO)F)OC","VDZZYOJYLLNBTD-UHFFFAOYSA-N",71736582,NA,"PDBC30768","793677","Present",NA,NA
+"30769","ASTX-660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASTX-660",NA,"CC1CN(C(CN1)CN2CCOCC2C)CC(=O)N3CC(C4=C3C=C(C(=N4)CO)CC5=CC=C(C=C5)F)(C)C","YCXOHEXZVKOGEV-DNRQZRRGSA-N",118169620,NA,"PDBC30769","804861","Present",NA,NA
+"30770","AT 116, benzylamine salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"at 116, benzylamine salt",NA,"CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)O.C1=CC=C(C=C1)CN","IFBNAVDXUJSDEH-UHFFFAOYSA-N",282523,NA,"PDBC30770","136037","Present",NA,NA
+"30771","AT-051/43421344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-051/43421344",NA,"CN(C)C1=C(C=C(C(=C1)OC)C=C2C=CC=C2)OC","QTAGYSMBABXFNS-UHFFFAOYSA-N",256313,NA,"PDBC30771","83085","Present",NA,NA
+"30772","AT-417/43484827",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-417/43484827",NA,"CC1=NN(C(=O)C1=C2SCCS2)C3=CC=CC=C3","UXLPBHIVTDXRPX-UHFFFAOYSA-N",370534,NA,"PDBC30772","643761","Present",NA,NA
+"30773","AT-417/43484896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-417/43484896",NA,"CC1=NN(C(=O)C1=C2SCCCS2)C3=CC=CC=C3","GFFBAHGKYOTDCD-UHFFFAOYSA-N",370535,NA,"PDBC30773","643762","Present",NA,NA
+"30774","ATM-3507 3HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ATM-3507 3HCl",NA,"CC1=C(N(C2=C1C=C(C=C2)OC3=CC=CC(=C3)C(=O)N4CCN(CC4)CCC5=CC=C(C=C5)F)CCCN6CCN(CC6)C)C","FNEHSJQRIWHZKS-UHFFFAOYSA-N",118666864,NA,"PDBC30774","824722","Present",NA,NA
+"30775","ATRN-117",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ATRN-117",NA,"CN1CCOCCOCCOC2=CC=CC=C2NC(=O)C3=NC(=CN=C3N)C4=CC=C(S1(=O)=O)C=C4","LXUQXAQHXDJMGV-UHFFFAOYSA-N",121276199,NA,"PDBC30775","782895","Present",NA,NA
+"30776","ATRN-119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ATRN-119",NA,"CNCC1=C2C(=CC=C1)NC(=O)C3=NC(=CN=C3N)C4=CC=C(C=C4)S(=O)(=O)N(CCOCCOCCO2)C","UEOXMKFLURTGRW-UHFFFAOYSA-N",121276198,NA,"PDBC30776","782896","Present",NA,NA
+"30777","AU 133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AU 133",NA,"CCCC(C(=O)O)SC1=NC(=NC2=C1NC=N2)N","MWLGNPMKQJTFKH-UHFFFAOYSA-N",5059922,NA,"PDBC30777","39329","Present",NA,NA
+"30778","AU 135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AU 135",NA,"C1=CC=C(C=C1)CCSC2=NC(=NC3=C2NC=N3)N","PAAAKNYXXIVNCJ-UHFFFAOYSA-N",943044,NA,"PDBC30778","35866","Present",NA,NA
+"30779","AV-412 free base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AV-412",NA,"CC(C)(C#CC1=CC2=C(C=C1NC(=O)C=C)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)N4CCN(CC4)C","ZAJXXUDARPGGOC-UHFFFAOYSA-N",9806229,NA,"PDBC30779","799340","Present",NA,NA
+"30780","AW-15'1129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AW-15'1129",NA,"C1CN2C(NC3=CC=CC=C3C2=N1)C4=CC=C(C=C4)Cl","HSZXGIDMRWNJCF-UHFFFAOYSA-N",211824,NA,"PDBC30780","718514","Present",NA,NA
+"30781","AWD 625",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AWD 625",NA,"CCN(CC)C1=NC2=C(C(=N1)NC3CCCCC3)N=C(N=C2NC4CCCCC4)N(CC)CC","AQOQDBAUPSLZOM-UHFFFAOYSA-N",122673,NA,"PDBC30781","292238","Present",NA,NA
+"30782","AWD 627",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AWD 627",NA,"CCN(C)C1=NC(=NC2=C1N=C(N=C2N(C)CC)N(C)CC)N(C)CC","ZLASRPSWRRDUFI-UHFFFAOYSA-N",324983,NA,"PDBC30782","292239","Present",NA,NA
+"30783","AX 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AX 3",NA,"C1=NC2=C(N1)C(=NC=N2)SCC(CO)O","OPKFIKAYNXEJQA-UHFFFAOYSA-N",3579846,NA,"PDBC30783","39332","Present",NA,NA
+"30784","AX 56",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AX 56",NA,"C1CC(OC1)N2C=NC3=C2NC=NC3=S","DXIBRFHEZZOPFH-UHFFFAOYSA-N",3000792,NA,"PDBC30784","45153","Present",NA,NA
+"30785","AX8255763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AX8255763",NA,"CC(=O)OCC1C(CC2C1CC(=O)O2)OC(=O)C","DOCCMIOGWPGCIS-CHWFTXMASA-N",363762,NA,"PDBC30785","628967","Present",NA,NA
+"30786","AX8285098",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AX8285098",NA,"CSC1=NC(=NC2=NNC(=C21)C#N)SC","SVLQUQCDCSMQIR-UHFFFAOYSA-N",373213,NA,"PDBC30786","649180","Present",NA,NA
+"30787","AXLRKQHOEWAMSP-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AXLRKQHOEWAMSP-UHFFFAOYSA-N",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=NC=C2COC(=O)C","AXLRKQHOEWAMSP-UHFFFAOYSA-N",382152,NA,"PDBC30787","669598","Present",NA,NA
+"30788","AYFQZGKBCJUBOZ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AYFQZGKBCJUBOZ-UHFFFAOYSA-N",NA,"CC(C)(C)OC(=O)NCCC(=O)NC1(CCCCC1)C2=CC3=CC=CC=C3S2","AYFQZGKBCJUBOZ-UHFFFAOYSA-N",398379,NA,"PDBC30788","708092","Present",NA,NA
+"30789","AZ-505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZ-505",NA,"C1CCC(CC1)N(CCNCCC2=C3C(=C(C=C2)O)NC(=O)CO3)C(=O)CCNCCC4=CC(=C(C=C4)Cl)Cl","LIBVHXXKHSODII-UHFFFAOYSA-N",24961094,NA,"PDBC30789","780404","Present",NA,NA
+"30790","AZ12672857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZ12672857",NA,"CN(C1=NC(=NC=C1)NC2=CC(=CC(=C2)N3CCOCC3)N4CCOCC4)C5=CC=CC6=C5C=NN6","QLFGDTPACJHLRY-UHFFFAOYSA-N",49831162,NA,"PDBC30790","828852","Present",NA,NA
+"30791","AZD-0156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-0156",NA,"CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4CCOCC4)C5=CN=C(C=C5)OCCCN(C)C","AOTRIQLYUAFVSC-UHFFFAOYSA-N",118502708,NA,"PDBC30791","792956","Present",NA,NA
+"30792","AZD-0364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-0364",NA,"CC1=CN=C(N=C1C2=CN3CC(N(C(=O)C3=N2)CC4=CC(=C(C=C4)F)F)COC)NC5=CC=NN5C","HVIGNZUDBVLTLU-MRXNPFEDSA-N",129116690,NA,"PDBC30792","808790","Present",NA,NA
+"30793","AZD-1390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-1390",NA,"CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)OCCCN5CCCCC5)F)N(C1=O)C","VQSZIPCGAGVRRP-UHFFFAOYSA-N",126689157,NA,"PDBC30793","803789","Present",NA,NA
+"30794","AZD-3147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-3147",NA,"CC1COCCN1C2=NC(=NC(=C2)C3(CC3)S(=O)(=O)C4CC4)C5=CC=C(C=C5)NC(=S)NCCO","JWGVUDPAMQEIJU-INIZCTEOSA-N",25168990,NA,"PDBC30794","784815","Present",NA,NA
+"30795","AZD-3965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-3965",NA,"CC1=C(C(=NN1)C(F)(F)F)CC2=C(C3=C(S2)N(C(=O)N(C3=O)C)C(C)C)C(=O)N4CC(CO4)(C)O","PRNXOFBDXNTIFG-FQEVSTJZSA-N",10369242,NA,"PDBC30795","787047","Present",NA,NA
+"30796","AZD-4320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-4320",NA,"CN(CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)C(C5=CC=CC=C5C6=CC=C(C=C6)Cl)O)S(=O)(=O)C(F)(F)F)CCO","UNEJSHNDABUZNY-UJNHCCGESA-N",86661883,NA,"PDBC30796","812728","Present",NA,NA
+"30797","AZD-4573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-4573",NA,"CC(=O)NC1CCCC(C1)C(=O)NC2=NC=C(C(=C2)C3=C4CC(CN4N=C3)(C)C)Cl","AVIWDYSJSPOOAR-LSDHHAIUSA-N",124155204,NA,"PDBC30797","816554","Present",NA,NA
+"30798","AZD-4635",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-4635",NA,"CC1=CC(=CC(=N1)Cl)C2=C(N=C(N=N2)N)C3=CC=C(C=C3)F","NCWQLHHDGDXIJN-UHFFFAOYSA-N",86676119,NA,"PDBC30798","802101","Present",NA,NA
+"30799","AZD-5069",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-5069",NA,"CC(C(CO)O)OC1=NC(=NC(=C1)NS(=O)(=O)N2CCC2)SCC3=C(C(=CC=C3)F)F","QZECRCLSIGFCIO-RISCZKNCSA-N",56645576,NA,"PDBC30799","802548","Present",NA,NA
+"30800","AZD-7648",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-7648",NA,"CC1=CC2=NC=NN2C=C1NC3=NC=C4C(=N3)N(C(=O)N4C)C5CCOCC5","XISVSTPEXYIKJL-UHFFFAOYSA-N",135151360,NA,"PDBC30800","817043","Present",NA,NA
+"30801","AZD-9496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-9496",NA,"CC1CC2=C(C(N1CC(C)(C)F)C3=C(C=C(C=C3F)C=CC(=O)O)F)NC4=CC=CC=C24","DFBDRVGWBHBJNR-BBNFHIFMSA-N",86287635,NA,"PDBC30801","786959","Present",NA,NA
+"30802","AZIRIDINYL BENZOQUINONE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZIRIDINYL BENZOQUINONE",NA,"C1CN1C2=C(C(=O)C(=C(C2=O)NCCO)N3CC3)NCCO","MXNZCIQNSJMZST-UHFFFAOYSA-N",124693,NA,"PDBC30802","224070","Present",NA,NA
+"30803","Ab-Dichloro-ce-dihydroxy-df-bis(isopropylamine)platinum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHIP",NA,"CC(C)[NH-].CC(C)[NH-].O.O.Cl[Pt+2]Cl","BVIQRWGFXPAYEV-UHFFFAOYSA-L",429536,NA,"PDBC30803","256927","Present",NA,NA
+"30804","Abietane Diterpenoid Family",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Abietane Diterpenoid Family",NA,"CC(C)C1=CC(=O)C2=C(C1=O)C(CC3C2(CCCC3(C)C)C)OC(=O)C","VYNWSFNBGNYRNY-CSZIGFGKSA-N",155814108,NA,"PDBC30804","799223","Present",NA,NA
+"30805","Abietic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"abietate",NA,"CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C","RSWGJHLUYNHPMX-ONCXSQPRSA-N",10569,NA,"PDBC30805","25149","Present",NA,NA
+"30806","Abraxane (Nanoparticle albumin-bound paclitaxel)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Abraxane (Nanoparticle albumin-bound paclitaxel)",NA,NA,NA,NA,NA,"PDBC30806","787955","Present",NA,NA
+"30807","Ac-AP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ac-AP",NA,"CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C","ODBWVLWCHVMSKO-UHFFFAOYSA-N",16134277,NA,"PDBC30807","705568","Present",NA,NA
+"30808","Ac-Ala-Lys(PO3Et2)-Val-OEt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ac-Ala-Lys(PO3Et2)-Val-OEt",NA,"CCOC(=O)C(C(C)C)NC(=O)C(CCCCNP(=O)(OCC)OCC)NC(=O)C(C)NC(=O)C","NSLRJXLINGVTRI-UHFFFAOYSA-N",386661,NA,"PDBC30808","679187","Present",NA,NA
+"30809","Acacic acid lactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acasic acid lactone",NA,"CC1(CC2C3=CCC4C5(CCC(C(C5CCC4(C3(CC(C26CC1OC6=O)O)C)C)(C)C)O)C)C","GVUMSYCSEREXHD-BHUKMDKLSA-N",6712546,NA,"PDBC30809","696123","Present",NA,NA
+"30810","Acalabrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acalabrutinib",NA,"CC#CC(=O)N1CCCC1C2=NC(=C3N2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=CC=CC=N5","WDENQIQQYWYTPO-IBGZPJMESA-N",71226662,NA,"PDBC30810","791164","Present",NA,NA
+"30811","Acalyphin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acalyphin",NA,"CN1C(C(C(=CC1=O)OC)(C#N)OC2C(C(C(C(O2)CO)O)O)O)O","QZRKNNXRNBTODR-UHFFFAOYSA-N",435918,NA,"PDBC30811","378984","Present",NA,NA
+"30812","Aceanthryleno[1, 12-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aceanthryleno[1,2-b]quinoxaline, 12-nitro-",NA,"C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C5=NC6=C(C=CC(=C6)[N+](=O)[O-])N=C45","VYGXGLDGKWWWNU-UHFFFAOYSA-N",395928,NA,"PDBC30812","701023","Present",NA,NA
+"30813","Aceclidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Acetoxyquinuclidine",NA,"CC(=O)OC1CN2CCC1CC2","WRJPSSPFHGNBMG-UHFFFAOYSA-N",1979,NA,"PDBC30813","657843","Present",NA,NA
+"30814","Acedapsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dadds",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C","AMTPYFGPPVFBBI-UHFFFAOYSA-N",6477,NA,"PDBC30814","218125","Present",NA,NA
+"30815","Acenaphtho(1,2-b)quinoxaline, 7,12-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acenaphtho[1,2-b]quinoxaline, 7,12-dioxide",NA,"C1=CC=C2C(=C1)N(C3=C([N+]2=O)C4=CC=CC5=C4C3=CC=C5)[O-]","ZWFRYWBKBPEWTP-UHFFFAOYSA-N",246787,NA,"PDBC30815","60309","Present",NA,NA
+"30816","Acenilacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acenilacrone",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O","VKIRZVBAJJKUJH-UHFFFAOYSA-N",364459,NA,"PDBC30816","630720","Present",NA,NA
+"30817","Acetamide, 2,2'-[(aminocarbonyl)imino]bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-Amino-2-oxo-ethyl)-carbamoyl-amino]acetamide",NA,"C(C(=O)N)N(CC(=O)N)C(=O)N","FGJPYGSRMDAXHZ-UHFFFAOYSA-N",373584,NA,"PDBC30817","650037","Present",NA,NA
+"30818","Acetamide, 2,2'-[[(methylamino)carbonyl]imino]bis[N-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-2-[[2-(methylamino)-2-oxo-ethyl]-(methylcarbamoyl)amino]acetamide",NA,"CNC(=O)CN(CC(=O)NC)C(=O)NC","FIEKXZQMOLTGJK-UHFFFAOYSA-N",373587,NA,"PDBC30818","650040","Present",NA,NA
+"30819","Acetamide, 2,2,2-trichloro-N-(3,4-dihydro-4-methyl-3-oxo-2-quinoxalinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2,2-Trichloro-N-(4-methyl-3-oxoquinoxalin-2-yl)acetamide",NA,"CN1C2=CC=CC=C2N=C(C1=O)NC(=O)C(Cl)(Cl)Cl","OZXJHKNHDBAQEU-UHFFFAOYSA-N",370370,NA,"PDBC30819","643435","Present",NA,NA
+"30820","Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-2,4-bis(1-piperazinylmethyl)-3-thioxo-1,2,4-triazin-6-yl)phenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Di(piperazinylmethyl)-3-thioxo-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)-one",NA,"C1CN(CCN1)CN2C(=O)C(=NN(C2=S)CN3CCNCC3)C4=CC=CC=C4NC(=O)C(F)(F)F","OHPXJIBYAMBDJM-UHFFFAOYSA-N",360752,NA,"PDBC30820","623091","Present",NA,NA
+"30821","Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-",NA,"C1=CC=C(C(=C1)C2=NNC(=S)NC2=O)NC(=O)C(F)(F)F","OZQNVCWAOORAGI-UHFFFAOYSA-N",3000331,NA,"PDBC30821","623086","Present",NA,NA
+"30822","Acetamide, 2,2,2-trifluoro-N-[3-[(4-methylphenyl)sulfonyl]-2-thienyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, 2,2,2-trifluoro-N-[3-[(4-methylphenyl)sulfonyl]-2-thienyl]-",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C(F)(F)F","HPIQVYVAEILVHL-UHFFFAOYSA-N",392836,NA,"PDBC30822","693814","Present",NA,NA
+"30823","Acetamide, 2-(trimethylsilyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MDQHTWMXYBVSHU-UHFFFAOYSA-N",NA,"C[Si](C)(C)CC(=O)N","MDQHTWMXYBVSHU-UHFFFAOYSA-N",357676,NA,"PDBC30823","617193","Present",NA,NA
+"30824","Acetamide, 2-[(2-amino-2-oxoethyl)[(methylamino)carbonyl]amino]-N-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, 2-[(2-amino-2-oxoethyl)[(methylamino)carbonyl]amino]-N-methyl-",NA,"CNC(=O)CN(CC(=O)N)C(=O)NC","IVOKUWYIHUYZDM-UHFFFAOYSA-N",373585,NA,"PDBC30824","650038","Present",NA,NA
+"30825","Acetamide, 2-[(aminocarbonyl)(2-amino-2-oxoethyl)amino]-N-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, 2-[(aminocarbonyl)(2-amino-2-oxoethyl)amino]-N-methyl-",NA,"CNC(=O)CN(CC(=O)N)C(=O)N","RJSTYWHKJFVPSY-UHFFFAOYSA-N",373586,NA,"PDBC30825","650039","Present",NA,NA
+"30826","Acetamide, 2-amidino-2-(phenylazo)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A834042",NA,"C1=CC=C(C=C1)N=NC(C(=N)N)C(=O)N.Cl","MWOBRIPIRLAVII-UHFFFAOYSA-N",522073,NA,"PDBC30826","10849","Present",NA,NA
+"30827","Acetamide, N-(2-(2,4-bis((ethenylamino)thioxomethyl)-2,3,4,5-tetrahydro-5-oxo-3-thioxo-1,2,4-triazin-6-yl)phenyl)-2,2,2-trifluoro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2,4-Bis(ethenylcarbamothioyl)-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide",NA,"C=CNC(=S)N1C(=O)C(=NN(C1=S)C(=S)NC=C)C2=CC=CC=C2NC(=O)C(F)(F)F","FFLNCWNLBCUZJK-UHFFFAOYSA-N",3000332,NA,"PDBC30827","623092","Present",NA,NA
+"30828","Acetamide, N-(2-bromoallyl)-N-cyclohexyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-8303",NA,"CC(=O)N(CC(=C)Br)C1CCCCC1","GJHFCBPJJAPYAT-UHFFFAOYSA-N",59579,NA,"PDBC30828","664950","Present",NA,NA
+"30829","Acetamide, N-(3,4,5,6-tetrahydro-5-hydroxy-6,8-dimethyl-2,6-epoxy-2H-1-benzoxocin-4-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-(3,4,5,6-tetrahydro-5-hydroxy-6,8-dimethyl-2,6-epoxy-2H-1-benzoxocin-4-yl)-",NA,"CC1=CC2=C(C=C1)OC3CC(C(C2(O3)C)O)NC(=O)C","FIEINPKZAUTFAM-UHFFFAOYSA-N",362340,NA,"PDBC30829","625998","Present",NA,NA
+"30830","Acetamide, N-(4-cyano-2-methyl-5-oxazolyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-(4-cyano-2-methyl-5-oxazolyl)-",NA,"CC1=NC(=C(O1)NC(=O)C)C#N","GUAYFSRGPXLNNQ-UHFFFAOYSA-N",391476,NA,"PDBC30830","690681","Present",NA,NA
+"30831","Acetamide, N-(5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-10-((phenylmethyl)amino)benzo(a)heptalen-7-yl)-, (S)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[5,6,7,9-tetrahydro-1,2,3-trimethoxy-9-oxo-...",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCC4=CC=CC=C4)OC)OC)OC","PDIUZPBNLUNFFJ-QFIPXVFZSA-N",84072,NA,"PDBC30831","309697","Present",NA,NA
+"30832","Acetamide, N-(7-methyl-1,4-dioxido-1,2,4-benzotriazin-3-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-(7-methyl-1,4-dioxido-1,2,4-benzotriazin-3-yl)-",NA,"CC1=CC2=C(C=C1)[N+](=C(N=[N+]2[O-])NC(=O)C)[O-]","URRXCOLJBSHECN-UHFFFAOYSA-N",135435952,NA,"PDBC30832","617844","Present",NA,NA
+"30833","Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(3-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(3-methoxyphenyl)-",NA,"CC(=O)N(CN1C(CCC1=O)OC)C2=CC(=CC=C2)OC","WROKSATVBGDTST-UHFFFAOYSA-N",389187,NA,"PDBC30833","684871","Present",NA,NA
+"30834","Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methoxyphenyl)-",NA,"CC(=O)N(CN1C(CCC1=O)OC)C2=CC=C(C=C2)OC","YHYDHJUZABQWKH-UHFFFAOYSA-N",389186,NA,"PDBC30834","684870","Present",NA,NA
+"30835","Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[(2-methoxy-5-oxo-1-pyrrolidinyl)methyl]-N-(4-methylphenyl)-",NA,"CC1=CC=C(C=C1)N(CN2C(CCC2=O)OC)C(=O)C","IRHWDGHALBKZCX-UHFFFAOYSA-N",389188,NA,"PDBC30835","684872","Present",NA,NA
+"30836","Acetamide, N-[(2E,4Z)-4-[(2,3-dichlorophenyl)methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4Z)-4-[(2,3-Dichlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide",NA,"CC(=O)N=C1N(C(=CC2=C(C(=CC=C2)Cl)Cl)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O)C","UKXVCJGUOQNXLD-UPNRPPMLSA-N",9574808,NA,"PDBC30836","658490","Present",NA,NA
+"30837","Acetamide, N-[(2E,4Z)-4-[(2,4-dichlorophenyl)methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4Z)-4-[(2,4-Dichlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide",NA,"CC(=O)N=C1N(C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O)C","NJPVKXDGHZNBHC-XOOCMLMRSA-N",9574807,NA,"PDBC30837","658485","Present",NA,NA
+"30838","Acetamide, N-[(2E,4Z)-4-[(3,4-dimethoxyphenyl)methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide",NA,"CC(=O)N=C1N(C(=CC2=CC(=C(C=C2)OC)OC)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O)C","BCBYRGIBXNMMSF-MWFAYXFGSA-N",9574810,NA,"PDBC30838","658492","Present",NA,NA
+"30839","Acetamide, N-[(2E,4Z)-4-[[4-(acetylamino)phenyl]methylene]-1-[(Z)-(2,4-dioxo-2H-1-benzopyran-3(4H)-ylidene)methyl]-3-methyl-5-oxo-2-imidazolidinylidene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(Z)-[2-Acetylimino-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-4-ylidene]methyl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N(C(=NC(=O)C)N2C)C=C3C(=O)C4=CC=CC=C4OC3=O","NLHYKSVARBVTRF-AJYBHMJXSA-N",9574809,NA,"PDBC30839","658491","Present",NA,NA
+"30840","Acetamide, N-[2-(4-nitrophenyl)-1-(6,11-dihydro-6,11-dioxo3H-anthra[1,2-c]pyrazol-2-yl)ethenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[2-(4-nitrophenyl)-1-(6,11-dihydro-6,11-dio...",NA,"CC(=O)NC(=CC1=CC(=CC=C1)[N+](=O)[O-])C2=NC3=C(N2)C=CC4=C3C(=O)C5=CC=CC=C5C4=O","BBUHAKBQKCORDR-NDENLUEZSA-N",5387535,NA,"PDBC30840","624439","Present",NA,NA
+"30841","Acetamide, N-[2-(phenylsulfonyl)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[2-(phenylsulfonyl)phenyl]-",NA,"CC(=O)NC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2","IOEWYEHFITYJJM-UHFFFAOYSA-N",365390,NA,"PDBC30841","633003","Present",NA,NA
+"30842","Acetamide, N-[3-(3,3-dimethyl-1-triazen-1-yl)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[3-(3,3-dimethyl-1-triazenyl)phenyl]- (9CI)",NA,"CC(=O)NC1=CC(=CC=C1)N=NN(C)C","QJUXSRZGPUXZAB-UHFFFAOYSA-N",324273,NA,"PDBC30842","289111","Present",NA,NA
+"30843","Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-1,3,6-cycloheptatrien-1-yl)propyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[3-(3,4-dichlorophenyl)-1-(6-hydroxy-5-oxo-...",NA,"CC(=O)NC(CCC1=CC(=C(C=C1)Cl)Cl)C2=CC(=O)C(=CC=C2)O","MIGSPHGJQIIJCX-UHFFFAOYSA-N",323364,NA,"PDBC30843","282885","Present",NA,NA
+"30844","Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-",NA,"CC(=O)NC1=C(C=CS1)S(=O)(=O)C2=CC=C(C=C2)Cl","JIRNGKBQVUQUQY-UHFFFAOYSA-N",393672,NA,"PDBC30844","696048","Present",NA,NA
+"30845","Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-2,2,2-trifluoro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-2,2,2-trifluoro-",NA,"C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)NC(=O)C(F)(F)F)Cl","XITSXNJXRCWMMZ-UHFFFAOYSA-N",392837,NA,"PDBC30845","693815","Present",NA,NA
+"30846","Acetamide, N-[4-oxo-6-[(2-pyridinylamino)sulfonyl]-3(4H)-quinazolinyl]-2-(2-pyridinylamino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[4-oxo-6-[(2-pyridinylamino)sulfonyl]-3(4H)-quinazolinyl]-2-(2-pyridinylamino)-",NA,"C1=CC=NC(=C1)NCC(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=N4","IZZTWPHOAWZWRR-UHFFFAOYSA-N",390415,NA,"PDBC30846","687769","Present",NA,NA
+"30847","Acetamide, N-[5-bromo-3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[5-bromo-3-[(4-chlorophenyl)sulfonyl]-2-thienyl]-",NA,"CC(=O)NC1=C(C=C(S1)Br)S(=O)(=O)C2=CC=C(C=C2)Cl","ZMIXRLWPIXXUAN-UHFFFAOYSA-N",393675,NA,"PDBC30847","696051","Present",NA,NA
+"30848","Acetamide, N-[[[(2E)-tetrahydro-1-[2-(1H-indol-3-yl)ethyl]-6-oxo-2(1H)-pyrimidinylidene]amino]carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[1-[2-(1H-Indol-3-yl)ethyl]-6-oxo-4,5-dihydropyrimidin-2-yl]carbamoyl]acetamide",NA,"CC(=O)NC(=O)NC1=NCCC(=O)N1CCC2=CNC3=CC=CC=C32","AVOMXQDNKGJRNJ-UHFFFAOYSA-N",379723,NA,"PDBC30848","664698","Present",NA,NA
+"30849","Acetamide, N-dodecyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Laurylacetamide",NA,"CCCCCCCCCCCCNC(=O)C","MDYPFOFSXHBHFE-UHFFFAOYSA-N",19764,NA,"PDBC30849","141138","Present",NA,NA
+"30850","Acetamide,2'-dicyclohexyl-N-[7-(hexahydro-1(2H)-azocinyl)heptyl]-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, 2,2'-dicyclohexyl-N-[7-(hexahydro- 1(2H)-azoc...",NA,"C1CCCN(CCC1)CCCCCCCNC(=O)C(C2CCCCC2)C3CCCCC3.Cl","LXCJALNQXRFBNB-UHFFFAOYSA-N",379302,NA,"PDBC30850","663857","Present",NA,NA
+"30851","Acetamide,6-dihydro-2-methyl-6-thioxo-5-pyrimidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-(4-anilino-3,6-dihydro-2-methyl- 6-thioxo-5...",NA,"CC1=NC(=S)C(=C(N1)NC2=CC=CC=C2)NC(=O)C","PBLSWVGCSUCRCB-UHFFFAOYSA-N",3587735,NA,"PDBC30851","622733","Present",NA,NA
+"30852","Acetamide;dichloroplatinum;[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]azanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide;dichloroplatinum;[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]azanide",NA,"CC(=O)N.C1=CN(C(=O)N=C1[NH-])C2C(C(C(O2)CO)O)O.Cl[Pt]Cl","IKDRCICLSLVBGS-UHFFFAOYSA-K",431739,NA,"PDBC30852","297148","Present",NA,NA
+"30853","Acetarsol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"goyl",NA,"CC(=O)NC1=C(C=CC(=C1)[As](=O)(O)O)O","ODFJOVXVLFUVNQ-UHFFFAOYSA-N",1985,NA,"PDBC30853","3247","Present",NA,NA
+"30854","Acetatobis(1,3-dionato)dysprosium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetatobis(1,3-diphenylpropane-1,3-dionato)dysprosium(III)",NA,"CC(=O)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Dy+3]","NSVOHLQUCSEUOY-UHFFFAOYSA-M",372118,NA,"PDBC30854","647046","Present",NA,NA
+"30855","Acetatobis(1,3-dionato)neodymium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetatobis(1,3-diphenylpropane-1,3-dionato)neodymium(III)",NA,"C[C-](O)O.C1=CC=C(C=C1)[C-](C=C(C2=CC=CC=C2)O)O.C1=CC=C(C=C1)[C-](C=C(C2=CC=CC=C2)O)O.[Nd+3]","QRDIRZPDDRCBIB-IWSPYOOBSA-N",24202398,NA,"PDBC30855","647044","Present",NA,NA
+"30856","Acetatobis(1,3-dionato)samarium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetatobis(1,3-diphenylpropane-1,3-dionato)samarium(III)",NA,"CC(=O)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Sm+3]","BKZFWYRHBFCRCX-UHFFFAOYSA-M",372117,NA,"PDBC30856","647045","Present",NA,NA
+"30857","Acetatobis(1,3-dionato)yttrium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetatobis(1,3-diphenylpropane-1,3-dionato)yttrium(III)",NA,"CC(=O)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Y+3]","GXVGHWHQCXUPOF-UHFFFAOYSA-M",6711926,NA,"PDBC30857","647043","Present",NA,NA
+"30858","Acetic acid 2,3,4-triacetoxy-1-(2-ethoxy-5-methylsulfanyl-[1,3,4]thiadiazole-3-carbonyl)-5-(2-ethoxy-5-methylsulfanyl-[1,3,4]thiadiazol-3-yl)-5-oxo-pentyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,4,5-Triacetyloxy-1,6-bis(2-ethoxy-5-methylsulfanyl-2H-1,3,4-thiadiazol-3-yl)-1,6-dioxohexan-3-yl] acetate",NA,"CCOC1N(N=C(S1)SC)C(=O)C(C(C(C(C(=O)N2C(SC(=N2)SC)OCC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","PVTOJZCNOLGTSK-UHFFFAOYSA-N",378279,NA,"PDBC30858","660238","Present",NA,NA
+"30859","Acetic acid 2-acetyl-2,3-dimethyl-4-oxo-oxetan-3-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid 2-acetyl-2,3-dimethyl-4-oxo-oxetan-3-yl ester",NA,"CC(=O)C1(C(C(=O)O1)(C)OC(=O)C)C","GOCMNXHGCGAVET-UHFFFAOYSA-N",363028,NA,"PDBC30859","627572","Present",NA,NA
+"30860","Acetic acid 2-methoxy-5-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid 2-methoxy-5-(5-oxo-2-phenyl-oxazol-4-ylidenemethyl)-phenyl ester",NA,"CC(=O)OC1=C(C=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3)OC","JKVIZZKWXCRIJT-GDNBJRDFSA-N",740151,NA,"PDBC30860","709992","Present",NA,NA
+"30861","Acetic acid 4,5-diacetoxy-2-(5-nitro-2,3-dihydro-indol-1-yl)-tetrahydro-pyran-3-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid 4,5-diacetoxy-2-(5-nitro-2,3-dihydro-indol-1-yl)-tetrahydro-pyran-3-yl ester",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2CCC3=C2C=CC(=C3)[N+](=O)[O-]","FFSQKNAKTIJTOA-UHFFFAOYSA-N",373201,NA,"PDBC30861","649168","Present",NA,NA
+"30862","Acetic acid 4,5-diacetoxy-6-acetoxymethyl-2-(3-cyano-2-mercapto-6-phenyl-4-thiophen-2-yl-4H-pyridin-1-yl)-tetrahydro-pyran-3-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(3-cyano-6-phenyl-2-sulfanyl-4-thiophen-2-yl-4H-pyridin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CS3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","ZHKWCHZDGBICTH-UHFFFAOYSA-N",381303,NA,"PDBC30862","667740","Present",NA,NA
+"30863","Acetic acid 4-methyl-2-oxo-2H-chromen-6-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL512389",NA,"CC1=CC(=O)OC2=C1C=C(C=C2)OC(=O)C","IJNCWCFCIOPZPE-UHFFFAOYSA-N",238948,NA,"PDBC30863","43571","Present",NA,NA
+"30864","Acetic acid 5'-cyano-6'-amino-5,6-didehydroandrosta-16-eno[17,16-b]pyridine-3beta-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2S,10S,13S,14R,17S)-7-Amino-6-cyano-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4,6,8,19-tetraen-17-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=CC(=C(N=C54)N)C#N)C)C","BZHPGDDFBJGZBK-QFNYRDOESA-N",399257,NA,"PDBC30864","709949","Present",NA,NA
+"30865","Acetic acid 5'-methyl-2'-phenyl-2'H-androsta-16-eno[16,17-c]pyrazole-5-ene-3beta-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2S,9S,12S,13R,16S)-7,9,13-Trimethyl-5-phenyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4(8),6,18-trien-16-yl] acetate",NA,"CC1=NN(C2=C1C3(CCC4C(C3C2)CC=C5C4(CCC(C5)OC(=O)C)C)C)C6=CC=CC=C6","HPIRTPHVJCGGSC-UMALJDHNSA-N",399261,NA,"PDBC30865","709953","Present",NA,NA
+"30866","Acetic acid 6a-acetoxy-2,2,5,5-tetrakis-trifluoromethyl-tetrahydro-furo[3,2-b]furan-3a-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid 6a-acetoxy-2,2,5,5-tetrakis-trifluoromethyl-tetrahydro-furo[3,2-b]furan-3a-yl ester",NA,"CC(=O)OC12CC(OC1(CC(O2)(C(F)(F)F)C(F)(F)F)OC(=O)C)(C(F)(F)F)C(F)(F)F","GFUPCHWQPZJGGR-UHFFFAOYSA-N",379610,NA,"PDBC30866","664314","Present",NA,NA
+"30867","Acetic acid [2,3,5,8-tetrahydro-5,8-dioxo-6-(aziridin-1-yl)-1H-pyrrolo[1,2-a]benzimidazol]-3-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrolo[1,2-a]benzimidazole-5,8-dione, 3-(acetyloxy)-6-(1-aziridinyl)-2,3-dihydro-",NA,"CC(=O)OC1CCN2C1=NC3=C2C(=O)C=C(C3=O)N4CC4","IKYRZJWIDHPKIN-UHFFFAOYSA-N",383412,NA,"PDBC30867","671660","Present",NA,NA
+"30868","Acetic acid [4-(3,4-dimethoxyphenyl)-7-keto-6-methylene-4,5-dihydrobenzothiophen-5-yl]methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid [4-(3,4-dimethoxyphenyl)-7-keto-6-methylene-4,5-dihydrobenzothiophen-5-yl]methyl ester",NA,"CC(=O)OCC1C(C2=C(C(=O)C1=C)SC=C2)C3=CC(=C(C=C3)OC)OC","PVXHLLQGGGFFSZ-UHFFFAOYSA-N",24202844,NA,"PDBC30868","726085","Present",NA,NA
+"30869","Acetic acid, 2,2'-(1,2,4-trithiolane-3,5-diylidene)bis(cyano-, diethyl ester, (2Z,2'Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z)-2-cyano-2-[(5Z)-5-(1-cyano-2-ethoxy-2-oxo-ethylidene)-1,2,4-trithiolan-3-ylidene]acetate",NA,"CCOC(=O)C(=C1SC(=C(C#N)C(=O)OCC)SS1)C#N","BJEFMLAPLDTDNB-OXAWKVHCSA-N",3003822,NA,"PDBC30869","98363","Present",NA,NA
+"30870","Acetic acid, 2,2'-dithiobis-, bis[2-[[(4-bromophenyl)amino]sulfonyl]ethyl] ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, 2,2'-dithiobis-, bis[2-[[(4-bromophenyl)amino]sulfonyl]ethyl] ester",NA,"C1=CC(=CC=C1NS(=O)(=O)CCOC(=O)CSSCC(=O)OCCS(=O)(=O)NC2=CC=C(C=C2)Br)Br","HLUALCOAONTAQQ-UHFFFAOYSA-N",361219,NA,"PDBC30870","624179","Present",NA,NA
+"30871","Acetic acid, 2,2'-hydrazinylidenebis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EC 403-510-5",NA,"C(C(=O)O)N(CC(=O)O)N","QQQMJWSOHKTWDZ-UHFFFAOYSA-N",87983,NA,"PDBC30871","9345","Present",NA,NA
+"30872","Acetic acid, 2-(3'-acetyl-1,2-dihydro-2-oxospiro[3H-indole-3,2'(3'H)-[1,3,4]thiadiazol]-5'-yl)hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Acetyl-2'-oxospiro[1,3,4-thiadiazolidine-5,3'-1H-indole]-2-ylidene)amino]acetamide",NA,"CC(=O)NN=C1NN(C2(S1)C3=CC=CC=C3NC2=O)C(=O)C","KZOZHYGVWZQIQT-UHFFFAOYSA-N",135450440,NA,"PDBC30872","666387","Present",NA,NA
+"30873","Acetic acid, [(4,9-dihydro-4,9-dioxonaphtho[2,3-d]thiazol-2-yl)amino]oxo-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, [(4,9-dihydro-4,9-dioxonaphtho[2,3-d]thiazol-2-yl)amino]oxo-, ethyl ester",NA,"CCOC(=O)C(=O)NC1=NC2=C(S1)C(=O)C3=CC=CC=C3C2=O","IQIQVVNYLKPKCV-UHFFFAOYSA-N",361022,NA,"PDBC30873","623756","Present",NA,NA
+"30874","Acetic acid, [(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)oxy]-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)oxyacetate",NA,"CCOC(=O)CON=C1C2=CC=CC=C2C=CC3=CC=CC=C31","KDHPMNDDZWMTEF-UHFFFAOYSA-N",382533,NA,"PDBC30874","670142","Present",NA,NA
+"30875","Acetic acid, [(aminoiminomethyl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, (amidinothio)-",NA,"C(C(=O)O)SC(=N)N","BWUNQEXPLIAUOU-UHFFFAOYSA-N",81899,NA,"PDBC30875","403734","Present",NA,NA
+"30876","Acetic acid, [[(4-methoxyphenyl)sulfonyl]hydrazono]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, [[(4-methoxyphenyl)sulfonyl]hydrazono]- (9CI)",NA,"COC1=CC=C(C=C1)S(=O)(=O)NN=CC(=O)O","BHAJEYKQHZPCHD-UXBLZVDNSA-N",5351283,NA,"PDBC30876","267213","Present",NA,NA
+"30877","Acetic acid, rhodium salt (4:2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, rhodium salt (4:2)",NA,"CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.[Rh].[Rh]","DRGVLUZIGUIMLB-UHFFFAOYSA-N",423677,NA,"PDBC30877","156310","Present",NA,NA
+"30878","Acetic acid,16-c]pyrazol-3-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Homo-17a-aza-5-androsteno[17,16-c]pyrazol-3-yl,2'-(4-f...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C(N4)N(N=C5)C6=CC=C(C=C6)F)C)C","ZVSNDAMRBDBAIS-QDRNEQMHSA-N",392371,NA,"PDBC30878","692655","Present",NA,NA
+"30879","Acetic acid,2-dimethyl-1,3-dioxolan-4-yl)-2,3-dioxo-4-(1-phenyl-2-propen-1-yl)furan-4-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furan-2,3-dione, tetrahydro-4-acetoxy- 4-(1-phenyl-2-pro...",NA,"CC(=O)OC1(C(OC(=O)C1=O)C2COC(O2)(C)C)C(C=C)C3=CC=CC=C3","RKSAATWCHUBICD-IDQKJFIUSA-N",386050,NA,"PDBC30879","677617","Present",NA,NA
+"30880","Acetic acid,4,7,10-tetraazacyclododecane-1,7-diyl]bis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, [1,4,7,10-tetraazacyclododecane-1,7-diyl]bis",NA,"C1CN(CCNCCN(CCN1)CC(=O)O)CC(=O)O.Cl","QUUXVEDAFNNDNI-UHFFFAOYSA-N",387352,NA,"PDBC30880","681105","Present",NA,NA
+"30881","Acetic acid--4,4'-[(E)-ethene-1,2-diyl]bis(6-methoxyquinoline) (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;6-methoxy-4-[(E)-2-(6-methoxyquinolin-4-yl)ethenyl]quinoline",NA,"CC(=O)O.COC1=CC2=C(C=CN=C2C=C1)C=CC3=C4C=C(C=CC4=NC=C3)OC","VMKQUODOFZERKS-BJILWQEISA-N",16682406,NA,"PDBC30881","5907","Present",NA,NA
+"30882","Acetic acid;1-amino-3,4,5,6-tetrahydroxyhexan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-amino-1-deoxyhex-2-ulose acetate",NA,"CC(=O)O.C(C(C(C(C(=O)CN)O)O)O)O","MJTNICQSTIRWQM-UHFFFAOYSA-N",221240,NA,"PDBC30882","5554","Present",NA,NA
+"30883","Acetic acid;2-[[3-carboxy-3-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propyl]carbamoyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;2-[[3-carboxy-3-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]propyl]carbamoyl]benzoic acid",NA,"CC(=O)O.C1=CC=C(C(=C1)C(=O)NCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O","MMPPVXHIYQJYQT-UHFFFAOYSA-N",381232,NA,"PDBC30883","667640","Present",NA,NA
+"30884","Acetic acid;2-amino-5-[[1-(carboxymethylamino)-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;2-amino-5-[[1-(carboxymethylamino)-3-[hydroxy(phenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",NA,"CC(=O)O.C1=CC=C(C=C1)N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","XTOGZMLSFUKMMU-UHFFFAOYSA-N",374647,NA,"PDBC30884","652683","Present",NA,NA
+"30885","Acetic acid;2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid",NA,"CC(=O)O.C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)Br","IDOYMBFXIQOKKS-UHFFFAOYSA-N",375164,NA,"PDBC30885","654380","Present",NA,NA
+"30886","Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;6-[(3,4-dichloroanilino)methyl]quinazoline-2,4-diamine",NA,"CC(=O)O.C1=CC2=C(C=C1CNC3=CC(=C(C=C3)Cl)Cl)C(=NC(=N2)N)N","AFPICYPZQDYTKK-UHFFFAOYSA-N",328132,NA,"PDBC30886","305768","Present",NA,NA
+"30887","Acetic acid;[(2S,8R,10S)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxo-8-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;[(2S,8R,10S)-6-(hydroxymethyl)-2,6,13-trimethyl-12-oxo-8-tetracyclo[11.2.1.01,10.02,7]hexadecanyl] benzoate",NA,"CC(=O)O.CC12CCC3(C1)C(CC(C4C3(CCCC4(C)CO)C)OC(=O)C5=CC=CC=C5)CC2=O","JKOLCDARTKMGJD-REXIZEJYSA-N",370991,NA,"PDBC30887","644811","Present",NA,NA
+"30888","Acetic acid;acetonitrile;molybdenum;1,10-phenanthroline;ditetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;acetonitrile;molybdenum;1,10-phenanthroline;ditetrafluoroborate",NA,NA,NA,NA,NA,"PDBC30888","654726","Present",NA,NA
+"30889","Acetic acid;acetonitrile;molybdenum;2-pyridin-2-ylpyridine;ditetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;acetonitrile;molybdenum;2-pyridin-2-ylpyridine;ditetrafluoroborate",NA,NA,NA,NA,NA,"PDBC30889","654724","Present",NA,NA
+"30890","Acetic acid;acetonitrile;molybdenum;ditetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;acetonitrile;molybdenum;ditetrafluoroborate",NA,NA,NA,NA,NA,"PDBC30890","654723","Present",NA,NA
+"30891","Acetic acid;acetonitrile;rhodium;ditetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;acetonitrile;rhodium;ditetrafluoroborate",NA,NA,NA,NA,NA,"PDBC30891","654730","Present",NA,NA
+"30892","Acetic acid;ethyl 2-amino-5-[[3-[(4-bromophenyl)methylsulfanyl]-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;ethyl 2-amino-5-[[3-[(4-bromophenyl)methylsulfanyl]-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate",NA,"CCOC(=O)CNC(=O)C(CSCC1=CC=C(C=C1)Br)NC(=O)CCC(C(=O)OCC)N.CC(=O)O","KLUUJXLLCWFXDO-UHFFFAOYSA-N",392747,NA,"PDBC30892","693566","Present",NA,NA
+"30893","Acetic acid;ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2,3,8-trimethyl-4H-pyrrolo[2,3-f]quinoxaline-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;ethyl 6-[(dimethylamino)methyl]-5-hydroxy-2,3,8-trimethyl-4H-pyrrolo[2,3-f]quinoxaline-7-carboxylate",NA,"CCOC(=O)C1=C(N=C2C1=C(C(=C3C2=NC(=C(N3)C)C)O)CN(C)C)C.CC(=O)O","UAHIUJCUUXHIAL-UHFFFAOYSA-N",135436260,NA,"PDBC30893","716493","Present",NA,NA
+"30894","Acetic acid;gold;triphenylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC274557",NA,"CC(=O)O.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au]","NUTGXZNAEWIDCP-UHFFFAOYSA-O",6333605,NA,"PDBC30894","274557","Present",NA,NA
+"30895","Acetic acid;methyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;methyl-[(1-methyl-5-nitropyrrol-2-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate",NA,"CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCC[N+](C)(CCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C)CC7=CC=C(N7C)[N+](=O)[O-].CC(=O)O.CC(=O)[O-]","LJPOOOQCBDSGLQ-UHFFFAOYSA-N",396198,NA,"PDBC30895","701748","Present",NA,NA
+"30896","Acetic acid;titanium;hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid;titanium;hydrate",NA,"CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O.[Ti].[Ti]","YIYJYCBGAFWKTN-UHFFFAOYSA-N",368530,NA,"PDBC30896","639603","Present",NA,NA
+"30897","Acetoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetoacetamide",NA,"CC(=O)CC(=O)N","GCPWJFKTWGFEHH-UHFFFAOYSA-N",80077,NA,"PDBC30897","632231","Present",NA,NA
+"30898","Acetoacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetoacrone",NA,"CC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O","USWITJBAYINNFK-UHFFFAOYSA-N",364454,NA,"PDBC30898","630715","Present",NA,NA
+"30899","Acetogenins",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Muricatetrocin B",NA,"CCCCCCC(C(CCC(C1CCC(O1)CCCCC(CC2=CC(OC2=O)C)O)O)O)O","CTUPPWQYDNGORK-UHFFFAOYSA-N",393472,NA,"PDBC30899","695405","Present",NA,NA
+"30900","Acetonitrile, 2-benzothiazolyl(2-chloro-4-pyrimidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile, 2-benzothiazolyl(2-chloro-4-pyrimidinyl)-",NA,"C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=NC(=NC=C3)Cl","QVMKLKBODZHJDK-UHFFFAOYSA-N",395229,NA,"PDBC30900","699704","Present",NA,NA
+"30901","Acetonitrile, cis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile, [[[2-(1-phenylethenyl)-2-hydroxycyclobutyl...",NA,"C=C(C1=CC=CC=C1)C2(CCC2N(CC#N)CC3=CC=CC=C3)O","LLFYZUZEQWBNPP-SFTDATJTSA-N",6711318,NA,"PDBC30901","617644","Present",NA,NA
+"30902","Acetonitrile, diisobutylamino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile, diisobutylamino-",NA,"CC(C)CN(CC#N)CC(C)C","ADEQPGWHCPALGB-UHFFFAOYSA-N",141219,NA,"PDBC30902","26720","Present",NA,NA
+"30903","Acetonitrile,5-dichloro-4-methoxyphenyl)amino]-, 2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile, 2-[(3,5-dichloro-4-methoxyphenyl)amino]-, ...",NA,"COC1=C(C=C(C=C1Cl)NC(=S)C#N)Cl","MYDYYEVIDVIXIM-UHFFFAOYSA-N",3737241,NA,"PDBC30903","640820","Present",NA,NA
+"30904","Acetonitrile; 2-[dichloro-(2-hydroxycyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile; 2-[dichloro-(2-hydroxycyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanol",NA,NA,NA,NA,NA,"PDBC30904","636969","Present",NA,NA
+"30905","Acetonitrile; 2-[dichloro-(2-oxocyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile; 2-[dichloro-(2-oxocyclohexoxy)-$l^{4}-tellanyl]oxycyclohexanone",NA,NA,NA,NA,NA,"PDBC30905","636968","Present",NA,NA
+"30906","Acetonitrile; acetoxy(acetoxyrhodio)rhodium; hexafluoroantimony(1-); 2-(2-pyridyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile; acetoxy(acetoxyrhodio)rhodium; hexafluoroantimony(1-); 2-(2-pyridyl)pyridine",NA,NA,NA,NA,NA,"PDBC30906","654729","Present",NA,NA
+"30907","Acetonitrile;iridium;tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate;triphenylphosphane;triphenylphosphanium;tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile;iridium;tetramethyl buta-1,3-diene-1,2,3,4-tetracarboxylate;triphenylphosphane;triphenylphosphanium;tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC30907","630734","Present",NA,NA
+"30908","Acetonitrile;molybdenum;ditetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetonitrile;molybdenum;ditetrafluoroborate",NA,NA,NA,NA,NA,"PDBC30908","654725","Present",NA,NA
+"30909","Acetonylacetone dioxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC7307",NA,"CC(=NO)CCC(=NO)C","ARJRNJXEXXHYDU-KQQUZDAGSA-N",5459300,NA,"PDBC30909","7307","Present",NA,NA
+"30910","Acetophenone, 2-phenyl-2-(4-methylphenylamino)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OKDKHOBYMXHNMN-UHFFFAOYSA-N",NA,"CC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3","OKDKHOBYMXHNMN-UHFFFAOYSA-N",231205,NA,"PDBC30910","26933","Present",NA,NA
+"30911","Acetoxy-[2,4-bis(acetoxymercurio)-3,5-dimethyl-6-(3-oxobutanoylamino)phenyl]mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetoxy-[2,4-bis(acetoxymercurio)-3,5-dimethyl-6-(3-oxobutanoylamino)phenyl]mercury",NA,"CC1=C(C(=C(C(=C1[Hg]OC(=O)C)C)[Hg]OC(=O)C)[Hg]OC(=O)C)NC(=O)CC(=O)C","SKNYCSMIYNMDGA-UHFFFAOYSA-K",16683867,NA,"PDBC30911","635974","Present",NA,NA
+"30912","Acetoxy-[4-(acetoxymercurio)-2,5-dimethoxy-3-(3-oxobutanoylamino)phenyl]mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetoxy-[4-(acetoxymercurio)-2,5-dimethoxy-3-(3-oxobutanoylamino)phenyl]mercury",NA,"CC(=O)CC(=O)NC1=C(C(=CC(=C1OC)[Hg]OC(=O)C)OC)[Hg]OC(=O)C","IMZOVOAJFUBGPR-UHFFFAOYSA-L",16683868,NA,"PDBC30912","635979","Present",NA,NA
+"30913","Acetoxy-[4-(acetoxymercurio)-2-chloro-3,6-dimethoxy-5-(3-oxobutanoylamino)phenyl]mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetoxy-[4-(acetoxymercurio)-2-chloro-3,6-dimethoxy-5-(3-oxobutanoylamino)phenyl]mercury",NA,"CC(=O)CC(=O)NC1=C(C(=C(C(=C1[Hg]OC(=O)C)OC)Cl)[Hg]OC(=O)C)OC","QGQVJDUSZGXLSL-UHFFFAOYSA-L",16683866,NA,"PDBC30913","635973","Present",NA,NA
+"30914","Acetoxycycloheximide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetoxycycloheximide",NA,"CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)OC(=O)C","UFDHNJJHPSGMFX-UHFFFAOYSA-N",233768,NA,"PDBC30914","32743","Present",NA,NA
+"30915","Acetyl tributyl citrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Blo-trol",NA,"CCCCOC(=O)CC(CC(=O)OCCCC)(C(=O)OCCCC)OC(=O)C","QZCLKYGREBVARF-UHFFFAOYSA-N",6505,NA,"PDBC30915","3894","Present",NA,NA
+"30916","Acetyl-glaucarubulone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"holacanthone",NA,"CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)OC(=O)C","OFHVBIQKCNMHKC-FJSLBGAUSA-N",158475,NA,"PDBC30916","126765","Present",NA,NA
+"30917","Acetylenedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC38643///NSC65381",NA,"C(#CC(=O)N)C(=O)N","JBTGHKUTYAMZEZ-UHFFFAOYSA-N",10971,NA,"PDBC30917","38643///65381","Present",NA,NA
+"30918","Acetylmarinobufagin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetylmarinobufogenin",NA,"CC(=O)OC1CCC2(C3CCC4(C(CC5C4(C3CCC2(C1)O)O5)C6=COC(=O)C=C6)C)C","SMEFDRPJDZWFRJ-UHFFFAOYSA-N",282302,NA,"PDBC30918","135687","Present",NA,NA
+"30919","Acetylmelodorinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetylmelodorinol",NA,"CC(=O)OC(COC(=O)C1=CC=CC=C1)C=C2C=CC(=O)O2","GRILELGQNUBIAJ-LCYFTJDESA-N",5388650,NA,"PDBC30919","637383","Present",NA,NA
+"30920","Acetyloxy-(2-amino-6-fluoro-3,5-dimethylphenyl)mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetyloxy-(2-amino-6-fluoro-3,5-dimethylphenyl)mercury",NA,"CC1=CC(=C(C(=C1N)[Hg]OC(=O)C)F)C","RYEJUAGYUFFAFL-UHFFFAOYSA-M",16683793,NA,"PDBC30920","196550","Present",NA,NA
+"30921","Acetyloxy-[[5-(acetyloxymercuriomethyl)-2,5-dimethyl-1,4-dioxan-2-yl]methyl]mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetyloxy-[[5-(acetyloxymercuriomethyl)-2,5-dimethyl-1,4-dioxan-2-yl]methyl]mercury",NA,"CC(=O)O[Hg]CC1(COC(CO1)(C)C[Hg]OC(=O)C)C","DLRFJLVNKAUTJK-UHFFFAOYSA-L",16683716,NA,"PDBC30921","114512","Present",NA,NA
+"30922","Acetylrolandrolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetylrolandrolide",NA,"CC1=CC(CC(C=C2C(=C(C(=O)O2)COC(=O)C)C(C1)OC(=O)C(=C)C)(C)O)OC(=O)C","SBZYIOCHWBZFIG-FHIRRPESSA-N",5384465,NA,"PDBC30922","335663","Present",NA,NA
+"30923","Acetylsalicylic acid-propargylester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetylsalicylic acid-propargylester",NA,"CC(=O)OC1=CC=CC=C1C(=O)OCC#C","JCLIQANOENBIMS-UHFFFAOYSA-N",390922,NA,"PDBC30923","689143","Present",NA,NA
+"30924","Acetylsolasodine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetylsolasodine",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC(=O)C)C)C)C)NC1","MCQNPWNREVNWDQ-UHFFFAOYSA-N",262502,NA,"PDBC30924","96021","Present",NA,NA
+"30925","Acetylstrophanthidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACETYLTROPHANTHIDIN",NA,"CC(=O)OC1CCC2(C3CCC4(C(CCC4(C3CCC2(C1)O)O)C5=CC(=O)OC5)C)C=O","JLZAERUVCODZQO-VWCUIIQSSA-N",261075,NA,"PDBC30925","92954","Present",NA,NA
+"30926","Acetyltifruticin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACETYLTIFRUTICIN",NA,"CC=C(C)C(=O)OC1CC(C2C(O2)C(C(=CC3C1C(=C)C(=O)O3)C)OC(=O)C)(C)O","FGHHYGLRTWXEOP-AMMQDNIMSA-N",54604617,NA,"PDBC30926","329690","Present",NA,NA
+"30927","Achilleol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Achilleol A",NA,"CC(=CCCC(=CCCC(=CCCC=C(C)CCC1C(=C)CCC(C1(C)C)O)C)C)C","ANKPMKKGZZQDIC-HJSIMFEZSA-N",5471312,NA,"PDBC30927","710351","Present",NA,NA
+"30928","Achillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Achillin",NA,"CC1C2CCC(=C3C(C2OC1=O)C(=CC3=O)C)C","BJPSSVHNEGMBDQ-UHFFFAOYSA-N",291264,NA,"PDBC30928","156236","Present",NA,NA
+"30929","Achromycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"steclin",NA,"CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O","NWXMGUDVXFXRIG-UHFFFAOYSA-N",54685734,NA,"PDBC30929","108579","Present",NA,NA
+"30930","Acid Bordeaux",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC4299///NSC45583",NA,"C1=CC=C2C(=C1)C=CC=C2N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","NOAPAFGLMMFJKT-UHFFFAOYSA-N",135422007,NA,"PDBC30930","4299///45583","Present",NA,NA
+"30931","Acid Red 6A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC45582///NSC7834",NA,"C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","CAEYATLYRAOUJZ-UHFFFAOYSA-N",135422006,NA,"PDBC30931","45582///7834","Present",NA,NA
+"30932","Acid red 24",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C.I. Acid Red 24",NA,"CC1=CC=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","HIHXKXUDYZTYGH-UHFFFAOYSA-N",135421997,NA,"PDBC30932","45562","Present",NA,NA
+"30933","Acid yellow 11",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"flavazine",NA,"CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC=CC=C3.[Na+]","WDAWIIXWJBEKSA-UHFFFAOYSA-N",135408523,NA,"PDBC30933","47704","Present",NA,NA
+"30934","Aclacinomycin X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aclacinomycin X",NA,"CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7C(=CC(=O)C(O7)C)N)O)N(C)C)O","OHMUKIWRHXAZQS-UHFFFAOYSA-N",382513,NA,"PDBC30934","670120","Present",NA,NA
+"30935","Aclarlubicin HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aclarlubicin HCl",NA,"CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O.Cl","KUSMIBXCRZTVML-GCYJRYRVSA-N",11970023,NA,"PDBC30935","654508","Present",NA,NA
+"30936","Aclucinomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aclarubicin",NA,"CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O","USZYSDMBJDPRIF-XCKHQVGJSA-N",308141,NA,"PDBC30936","208734","Present",NA,NA
+"30937","Acnistin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acnistin-e",NA,"CC12CCC3C(C1CCC2(C4CC5(CC4OC(=O)C5(C)O)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6","FKQUQCYOBZEPTK-SXUGLQBDSA-N",331499,NA,"PDBC30937","324043","Present",NA,NA
+"30938","Acnistin F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acnistin F",NA,"CC12CCC3C(C1CCC2(C4CC5CC4(C(C(=O)O5)(C)O)C)O)CC6C7(C3(C(=O)C=CC7O)C)O6","QXCNIIZHTUXBPS-UBIZXAKLSA-N",6712173,NA,"PDBC30938","657923","Present",NA,NA
+"30939","Acodazole hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acodazole",NA,"CC1=CC(=C2C(=CC=C3C2=NC=N3)N1)NC4=CC=C(C=C4)N(C)C(=O)C.Cl","SIEMBUZUHHIAFB-UHFFFAOYSA-N",41445,NA,"PDBC30939","305884","Present",NA,NA
+"30940","Acolongifloroside potassium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acolongifloroside potassium",NA,"CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O","LPMXVESGRSUGHW-PCCRTPNOSA-N",289840,NA,"PDBC30940","152149","Present",NA,NA
+"30941","Acoschimperoside P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neritaloside",NA,"CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)OC)O","UZQOZJNEDXAJEZ-WAIGGTDDSA-N",289842,NA,"PDBC30941","707149","Present",NA,NA
+"30942","Acovenoside A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"venenatine",NA,"CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)O)C)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)O","DKYDBQQIQAPGMH-FIZVBJIDSA-N",272417,NA,"PDBC30942","116787","Present",NA,NA
+"30943","Acovenoside B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acovenoside B",NA,"CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)OC(=O)C)O)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)O","IVASUCKOVWICFI-UHFFFAOYSA-N",272418,NA,"PDBC30943","116789","Present",NA,NA
+"30944","Acoxatrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acoxatrine",NA,"CC(=O)NCC1(CCN(CC1)CC2COC3=CC=CC=C3O2)C4=CC=CC=C4","WSWPNPUMDWOKAR-UHFFFAOYSA-N",68938,NA,"PDBC30944","665321","Present",NA,NA
+"30945","Acranil dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acranil",NA,"CCN(CC)CC(CNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)O.Cl","SSDTVXNTGXKATD-UHFFFAOYSA-N",24181805,NA,"PDBC30945","11515","Present",NA,NA
+"30946","Acrasin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adenosine Cyclic 3',5'-Phosphate",NA,"C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O","IVOMOUWHDPKRLL-UHFFFAOYSA-N",274,NA,"PDBC30946","94017","Present",NA,NA
+"30947","Acridan, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridan, 9-chloro-9-(p-dimethylaminophenyl)-10-ethyl-, d...",NA,"CCN1C2=CC=CC=C2C(C3=CC=CC=C31)(C4=CC=C(C=C4)N(C)C)Cl.Cl","BTXWLNFACRARPI-UHFFFAOYSA-N",24184090,NA,"PDBC30947","32937","Present",NA,NA
+"30948","Acridin-9-yl(4-ethoxyphenyl)amine, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Acridinamine, N-(4-ethoxyphenyl)-, monohydrochloride",NA,"CCOC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl","OMULIADPFGXXQF-UHFFFAOYSA-N",2788193,NA,"PDBC30948","165714","Present",NA,NA
+"30949","Acridin-9-yl(7H-purin-6-ylsulfanyl)diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridin-9-yl(7H-purin-6-ylsulfanyl)diazene",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N=NSC4=NC=NC5=C4NC=N5","XSFSUFZRUVSKAU-UHFFFAOYSA-N",3302172,NA,"PDBC30949","80931","Present",NA,NA
+"30950","Acridine Yellow G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"basic yellow k",NA,"CC1=CC2=CC3=C(C=C(C(=C3)C)N)N=C2C=C1N.Cl","BGLGAKMTYHWWKW-UHFFFAOYSA-N",8672,NA,"PDBC30950","13973","Present",NA,NA
+"30951","Acridine carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XR-5000",NA,"CN(C)CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21","XBGNERSKEKDZDS-UHFFFAOYSA-N",107805,NA,"PDBC30951","754367","Present",NA,NA
+"30952","Acridine orange",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"euchrysine",NA,"CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C","DPKHZNPWBDQZCN-UHFFFAOYSA-N",62344,NA,"PDBC30952","194350","Present",NA,NA
+"30953","Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridine, 2-methoxy-6-nitro-9-(2-phenylhydrazino)-, hydr...",NA,"COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=CC=C4.COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NNC4=CC=CC=C4.Cl.Cl","KHTZTHGNQAYCIY-UHFFFAOYSA-N",60147553,NA,"PDBC30953","751600","Present",NA,NA
+"30954","Acridine, 9,9'-octamethylenedi(imino)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-Octanediamine, N,N'-di-9-acridinyl- (9CI)",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64","NEAXIRVWYPBDID-UHFFFAOYSA-N",42559,NA,"PDBC30954","219734","Present",NA,NA
+"30955","Acridine-4-carboxamide, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridine-4-carboxamide, 9-amino-5-methyl- N-[2-(dimethyl...",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)N.Cl","XHEWAXIRUWJFHP-UHFFFAOYSA-N",388357,NA,"PDBC30955","683247","Present",NA,NA
+"30956","Acridinium, bromide, monohydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridinium, 3-amino-9-[[4-[[[4-[(aminoiminomethyl)amino]...",NA,"C[N+]1=C2C=C(C=CC2=C(C3=CC=CC=C31)NC4=CC=C(C=C4)NS(=O)(=O)CCCCN=C(N)N)N.Br.[Br-]","PMKQKWUPHXCWCO-UHFFFAOYSA-N",24194755,NA,"PDBC30956","172774","Present",NA,NA
+"30957","Acridodimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridodimidine",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)C","WLODZVNZJYFSJJ-UHFFFAOYSA-N",364444,NA,"PDBC30957","630705","Present",NA,NA
+"30958","Acridoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridoguanidine",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","RSGQPVTWCUZOBU-UHFFFAOYSA-N",364443,NA,"PDBC30958","630704","Present",NA,NA
+"30959","Acridomide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridomide",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N","KUSJNKRLKPKICQ-UHFFFAOYSA-N",364442,NA,"PDBC30959","630703","Present",NA,NA
+"30960","Acridoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridoxazole",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O","NBQGSRALDBECKE-UHFFFAOYSA-N",364445,NA,"PDBC30960","630706","Present",NA,NA
+"30961","Acriflavinehydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acriflavine hydrochloride",NA,"C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.Cl.[Cl-]","QEUYATCJHJUQML-UHFFFAOYSA-N",390892,NA,"PDBC30961","689003","Present",NA,NA
+"30962","Acrisorcin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acrisorcin (usan)",NA,"CCCCCCC1=C(C=C(C=C1)O)O.C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)N","YZODJQFXMFEJRM-UHFFFAOYSA-N",24144,NA,"PDBC30962","758691","Present",NA,NA
+"30963","Acrofolione A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acrofolione A",NA,"CC(C)CC(C1=C(C(=C(C(=C1O)CC=C(C)C)OC)C(=O)C)O)C2=C3C(=C(C(=C2O)C(=O)C)O)CC(O3)C(C)(C)O","OUNVYFMBWBYCMV-UHFFFAOYSA-N",402434,NA,"PDBC30963","716404","Present",NA,NA
+"30964","Acrofolione B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acrofolione B",NA,"CC(C)CC(C1=C(C(=C2C(=C1O)CC(O2)C(C)(C)O)C(=O)C)O)C3=C(C(=C(C(=C3O)CC=C(C)C)OC)C(=O)C)O","BAXWGCKHMROHKQ-UHFFFAOYSA-N",402435,NA,"PDBC30964","716405","Present",NA,NA
+"30965","Acronine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acronine",NA,"CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)C","SMPZPKRDRQOOHT-UHFFFAOYSA-N",345512,NA,"PDBC30965","403169","Present",NA,NA
+"30966","Acronycine, 2-nitro",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACRONYCINE, 2-NITRO",NA,"CC1(C(=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=CC=CC=C4N3C)[N+](=O)[O-])C","FFUMIZNHKKJWAI-UHFFFAOYSA-N",342903,NA,"PDBC30966","380856","Present",NA,NA
+"30967","Acrophylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acrophylline",NA,"CC(=CCN1C2=C(C=CC(=C2)OC)C(=O)C3=C1OC=C3)C","GARIOWCJZYSSOE-UHFFFAOYSA-N",87840,NA,"PDBC30967","121139","Present",NA,NA
+"30968","Acrovestone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acrovestone",NA,"CC(C)CC(C1=C(C(=C(C(=C1O)CC=C(C)C)O)C(=O)C)O)C2=C(C(=C(C(=C2O)CC=C(C)C)OC)C(=O)C)O","KLFWXYAHGSXKAW-UHFFFAOYSA-N",159969,NA,"PDBC30968","612789","Present",NA,NA
+"30969","Actb-1003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACTB-1003",NA,"COCC1=C(N2C(=C1C3=CC(=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F)F)C(=NC=N2)N)CN5CCOCC5","GZPJCJKUZPUFAL-UHFFFAOYSA-N",23653175,NA,"PDBC30969","799324","Present",NA,NA
+"30970","Actinobolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Actinobolin",NA,"CC1C(C2C(C(CC(=C2C(=O)O1)O)O)O)NC(=O)C(C)N","PQVQBAAWCOTEBG-NSVWQLETSA-N",54688606,NA,"PDBC30970","31083","Present",NA,NA
+"30971","Actinomycete fermentation product",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperazinedione",NA,"C1CC(NCC1Cl)C2C(=O)NC(C(=O)N2)C3CCC(CN3)Cl.Cl","DWDDRBRKQBGRAJ-ZARMYCFFSA-N",54601151,NA,"PDBC30971","135758","Present",NA,NA
+"30972","Actinomycin C2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Actinomycin C3",NA,"CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(C=CC(=C5O4)C)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)N)C)C(C)C)C)C","QCXJFISCRQIYID-UHFFFAOYSA-N",122716,NA,"PDBC30972","87221","Present",NA,NA
+"30973","Actinomycin C3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"actinomycin vii",NA,"CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)CC)C)C)C(C)C)C)N)C)C)C(C)C)C)C","XLGPRYUFOGVPMM-UHFFFAOYSA-N",122799,NA,"PDBC30973","87222","Present",NA,NA
+"30974","Actinomycin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684906",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C","RJURFGZVJUQBHK-UHFFFAOYSA-N",2019,NA,"PDBC30974","684906","Present",NA,NA
+"30975","Actinomycin D 3-phenyloxazinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACTINOMYCIN D 3-PHENYLOXAZINONE",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(N4)C(=C6C(=C5C)OC(=O)C(=N6)C7=CC=CC=C7)C(=O)NC8C(OC(=O)C(N(C(=O)CN(C(=O)C9CCCN9C(=O)C(NC8=O)C(C)C)C)C)C(C)C)C","VGEQFUNTHQCTFN-UHFFFAOYSA-N",16130056,NA,"PDBC30975","339281","Present",NA,NA
+"30976","Actinomycin Pip T.beta.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Actinomycin Pip T.beta.",NA,NA,NA,NA,NA,"PDBC30976","107660","Present",NA,NA
+"30977","Actinomycin X4357G methoxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"actinomycin x4357g methoxime",NA,"CC1CC(C2N1C(=O)C(NC(=O)C(C(OC(=O)C(N(C(=O)CN(C2=O)C)C)C(C)C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7C(=NOC)CC(N7C(=O)C(NC6=O)C(C)C)C)C)C)C)CO)N)C)C(C)C)O","LKRXOOYADFIOCG-MLWWKLAPSA-N",9573583,NA,"PDBC30977","237671","Present",NA,NA
+"30978","Actinorubin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Actinorubin",NA,NA,NA,NA,NA,"PDBC30978","124668","Present",NA,NA
+"30979","Actinospectacin, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spectinomycin Hydrochloride",NA,"CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.Cl","BIPVCOUVVAMJMZ-UHFFFAOYSA-N",24192110,NA,"PDBC30979","248616","Present",NA,NA
+"30980","Actinosporins A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Actinosporin analogue",NA,"CC1C(C(C(C(O1)OC2=CC(=CC3=CC(=C4C(=C32)C(=O)C5=C(C4=O)C(=CC=C5)O)OC6C(C(C(C(O6)C)O)O)O)C)O)O)O","OZKCRADDDAPORM-IKSNLRTHSA-N",118715855,NA,"PDBC30980","789935","Present",NA,NA
+"30981","Actodigin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"actinogen",NA,"CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CCOC5=O)O)C)OC6C(C(C(C(O6)CO)O)O)O","ACLJAFRNPZVVIW-SBCQLKMNSA-N",243498,NA,"PDBC30981","53396","Present",NA,NA
+"30982","Acyclic Butynebispurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acyclic Butynebispurine",NA,"C1=NC2=C(N1CC#CCN3C=NC4=C3N=C(N=C4Cl)Cl)N=C(N=C2Cl)Cl","RRIJYUPXUPUNDA-UHFFFAOYSA-N",45028240,NA,"PDBC30982","741853","Present",NA,NA
+"30983","Acyclic cis-Butenebispurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acyclic cis-Butenebispurine",NA,"C1=NC2=C(N1CC=CCN3C=NC4=C3N=C(N=C4Cl)Cl)N=C(N=C2Cl)Cl","QFBSXOFILLQVEF-UPHRSURJSA-N",45028238,NA,"PDBC30983","741851","Present",NA,NA
+"30984","Acyclic trans-Butenebispurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acyclic trans-Butenebispurine",NA,"C1=NC2=C(N1CC=CCN3C=NC4=C3N=C(N=C4Cl)Cl)N=C(N=C2Cl)Cl","QFBSXOFILLQVEF-OWOJBTEDSA-N",45028237,NA,"PDBC30984","741850","Present",NA,NA
+"30985","Acylfulvene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acylfulvene",NA,"CC1=CC2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C","HLAKJNQXUARACO-ZDUSSCGKSA-N",365701,NA,"PDBC30985","633555","Present",NA,NA
+"30986","Acylphloroglucinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acylphloroglucinol",NA,"CC(=CCC1CC2(C(=O)C(C1(C)C)(C(=O)C(C2=O)(C(=O)C3=CC=CC=C3)OC4(C(=O)C5(CC(C(C(C5=O)(C4=O)CC=C(C)C)(C)C)CC=C(C)C)CC=C(C)C)C(=O)C6=CC=CC=C6)CC=C(C)C)CC=C(C)C)C","VNAUOAOXUMKHCP-YGCNKQRNSA-N",155809407,NA,"PDBC30986","799227","Present",NA,NA
+"30987","Adamantan-1-amine, N-(4-methoxybenzylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_004449",NA,"COC1=CC=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3","CIJYMDAJQWMQSG-UHFFFAOYSA-N",365171,NA,"PDBC30987","632381","Present",NA,NA
+"30988","Adamotyl ara-C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"adoca",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O","NMANUXYHRYVLDW-UHFFFAOYSA-N",272892,NA,"PDBC30988","117614","Present",NA,NA
+"30989","Adaphostin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adaphostin",NA,"C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O","YJZSUCFGHXQWDM-UHFFFAOYSA-N",387042,NA,"PDBC30989","680410","Present",NA,NA
+"30990","Adechlorin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adechlorin",NA,"C1C(C2=C(NC=N1)N(C=N2)C3C(C(C(O3)CO)O)Cl)O","JYWSHPMZFVPRRF-FNIJETDKSA-N",356056,NA,"PDBC30990","611090","Present",NA,NA
+"30991","Adenallene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adenallene",NA,"C1=NC(=C2C(=N1)[N+](=CC=CCO)C=N2)[NH-]","ISVDZARHZZIZPJ-UHFFFAOYSA-N",135436544,NA,"PDBC30991","622175","Present",NA,NA
+"30992","Adenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"adenin",NA,"C1=NC2=NC=NC(=C2N1)N","GFFGJBXGBJISGV-UHFFFAOYSA-N",190,NA,"PDBC30992","14666","Present",NA,NA
+"30993","Adenine, 9,9'ethylenebis(N,N-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adenine, 9,9'ethylenebis(N,N-dimethyl-",NA,"CN(C)C1=NC=NC2=C1N=CN2CCN3C=NC4=C3N=CN=C4N(C)C","RWDBBSOPBZYBEH-UHFFFAOYSA-N",243877,NA,"PDBC30993","54101","Present",NA,NA
+"30994","Adenosine deaminase inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adenosine deaminase inhibitor",NA,"CCCCCCC(C(C)O)N1C=NC2=C(N=CN=C21)N.Cl","VVDXNJRUNJMYOZ-VZXYPILPSA-N",24197375,NA,"PDBC30994","263164","Present",NA,NA
+"30995","Adenosine, 2'-deoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deoxyadenosine///.alpha.-deoxyadenosine",NA,"C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O","OLXZPDWKRNYJJZ-UHFFFAOYSA-N",636,NA,"PDBC30995","141848///91774","Present",NA,NA
+"30996","Adenosine, 2-bromo-2'-deoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adenosine, 2-bromo-2'-deoxy-",NA,"C1C(C(OC1N2C=NC3=C(N=C(N=C32)Br)N)CO)O","UYDKYWTWCPKLJR-UHFFFAOYSA-N",334838,NA,"PDBC30996","341936","Present",NA,NA
+"30997","Adenosine, 2-chloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9.beta.-D-Arabinofuranosyl-2-chloroadenine",NA,"C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)Cl)N","BIXYYZIIJIXVFW-UHFFFAOYSA-N",235481,NA,"PDBC30997","76356","Present",NA,NA
+"30998","Adenosine, 3'-deoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cordycepin",NA,"C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO","OFEZSBMBBKLLBJ-UHFFFAOYSA-N",248010,NA,"PDBC30998","63984","Present",NA,NA
+"30999","Adenosine, 3-deaza-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deaza-ado",NA,"C1=CN=C(C2=C1N(C=N2)C3C(C(C(O3)CO)O)O)N","DBZQFUNLCALWDY-UHFFFAOYSA-N",1651,NA,"PDBC30999","167897","Present",NA,NA
+"31000","Adenosine, 8-chloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-adenosine",NA,"C1=NC(=C2C(=N1)N(C(=N2)Cl)C3C(C(C(O3)CO)O)O)N","MHDPPLULTMGBSI-UHFFFAOYSA-N",337175,NA,"PDBC31000","354258","Present",NA,NA
+"31001","Adenosine-5'-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC137784",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)C(=O)O)O)O)N","IBYWUFHJUDTSOC-UHFFFAOYSA-N",283288,NA,"PDBC31001","137784","Present",NA,NA
+"31002","Adenostemmoside G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adenostemmoside G",NA,"CC12CCCC(C1CCC34C2C5CC(C3)C(C4O)(O5)CO)(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O","WHWKRKUTKZNNOI-HSQBGRSESA-N",5459199,NA,"PDBC31002","643003","Present",NA,NA
+"31003","Adiantifoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adiantifoline",NA,"CN1CCC2=C3C1CC4=CC(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC","UEKRHVIBSZVFQN-UHFFFAOYSA-N",422708,NA,"PDBC31003","146267","Present",NA,NA
+"31004","Adicillinum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salmotin",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)CCCC(C(=O)O)N)C(=O)O)C","MIFYHUACUWQUKT-UHFFFAOYSA-N",270631,NA,"PDBC31004","113137","Present",NA,NA
+"31005","Adigal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adigal",NA,"CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O","YFGQJKBUXPKSAW-UHFFFAOYSA-N",407582,NA,"PDBC31005","7532","Present",NA,NA
+"31006","Adipic acid bis(N'-salicylidene hydrazide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adipic acid bis(N'-salicylidene hydrazide)",NA,"C1=CC=C(C(=C1)C=NNC(=O)CCCCC(=O)NN=CC2=CC=CC=C2O)O","JLZRXDKIRXEOIZ-JZTLMNBPSA-N",135408551,NA,"PDBC31006","49495","Present",NA,NA
+"31007","Adipoguanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adipoguanamine",NA,"C(CCC1=NC(=NC(=N1)N)N)CC2=NC(=NC(=N2)N)N","VVYBFJSLGGZKFD-UHFFFAOYSA-N",78042,NA,"PDBC31007","101825","Present",NA,NA
+"31008","Adozelesin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adozelesin",NA,"CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C(N5)C=CC(=C6)NC(=O)C7=CC8=CC=CC=C8O7","BYRVKDUQDLJUBX-UHFFFAOYSA-N",357194,NA,"PDBC31008","615284","Present",NA,NA
+"31009","Adriamycin 14-octanoate, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adriamycin octanoate",NA,"CCCCCCCC(=O)OCC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5CC(C(C(O5)C)O)N)O.Cl","PCIHZBKBBKWVRO-WLMNPPFISA-N",24193197,NA,"PDBC31009","149584","Present",NA,NA
+"31010","Adriamycin benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adriamycin benzoate",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C6=CC=CC=C6)O)N)O.Cl","MIYPZEOVBCFNMU-JEVKMULKSA-N",24193199,NA,"PDBC31010","149585","Present",NA,NA
+"31011","Adriamycin nicotinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adriamycin nicotinate",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC(=O)C6=CN=CC=C6)O)N)O.Cl","DFTYWNVALAXKHG-PAMQHEOOSA-N",24193195,NA,"PDBC31011","149583","Present",NA,NA
+"31012","Aeg-40730 (iap)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AEG-40730",NA,"CC(C(C(=O)N1CCCC1CN(CCC2=CC=CC=C2)C(=O)C(F)(F)F)NC(=O)C(C)NC)OCC#CC#CCOC(C)C(C(=O)N3CCCC3CN(CCC4=CC=CC=C4)C(=O)C(F)(F)F)NC(=O)C(C)NC","BUAODJDXMGPFOY-YOQDAYAPSA-N",155807259,NA,"PDBC31012","754359","Present",NA,NA
+"31013","Africanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-Africanal",NA,"COC1=C(C=C2C(C3COC(C3(CC2=C1)O)O)C4=CC(=C(C=C4)O)OC)O","OKCDYSZILXWATF-UOWJPWOOSA-N",342943,NA,"PDBC31013","381277","Present",NA,NA
+"31014","Agaric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"agaricin",NA,"CCCCCCCCCCCCCCCCC(C(=O)O)C(CC(=O)O)(C(=O)O)O","HZLCGUXUOFWCCN-UHFFFAOYSA-N",12629,NA,"PDBC31014","65690","Present",NA,NA
+"31015","Agavoside E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Agavoside E",NA,"CC1CCC2(C(C3C(O2)CC4C3(C(=O)CC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)C)OC2C(C(C(C(O2)C)O)O)O)O)O)OC2C(C(C(CO2)O)O)O)O)O)O)O)C)C)C)OC1","HYUWBRLXQLHDHD-SFECIVCUSA-N",399373,NA,"PDBC31015","710090","Present",NA,NA
+"31016","Agecorynin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"agecorynin c",NA,"COC1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC","GQZBZQRNQGILGI-UHFFFAOYSA-N",256420,NA,"PDBC31016","83279","Present",NA,NA
+"31017","Agehoustin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Agehoustin A",NA,"COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC)OC)OC","FQTCPUGUEKKPCH-UHFFFAOYSA-N",389483,NA,"PDBC31017","685705","Present",NA,NA
+"31018","Agehoustin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Agehoustin B",NA,"COC1=C(C(=C(C(=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC)OC","CNWLLDUECPZGHJ-UHFFFAOYSA-N",389484,NA,"PDBC31018","685706","Present",NA,NA
+"31019","Agelasine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Agelasine",NA,NA,NA,NA,NA,"PDBC31019","622158","Present",NA,NA
+"31020","Agelastatin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Agelastatin A",NA,"CN1C(=O)NC2C1(CC3C2NC(=O)C4=CC=C(N34)Br)O","MPASKXAEPUAMBS-WJOUQXRDSA-N",177936,NA,"PDBC31020","786147","Present",NA,NA
+"31021","Agn-PC-0NI2ET",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AGN-PC-0NI2ET",NA,"CC(=O)OC1=C(C=C2C(=C1)C=CC3=C2[N+](=CC4=CC(=C(C=C34)OC(=O)C)OC(=O)C)C)OC(=O)C.[O-]S(=O)(=O)F","RZLSULLBCVGHLF-UHFFFAOYSA-M",12201865,NA,"PDBC31021","180966","Present",NA,NA
+"31022","Agn-PC-0NI2EU",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC179207",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.[O-]S(=O)(=O)F","QDSPTITWFHWOTF-UHFFFAOYSA-M",12201866,NA,"PDBC31022","179207","Present",NA,NA
+"31023","Agn-PC-0NI726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AGN-PC-0NI726",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC=CC=C4C=C3)OC)OC.[Cl-]","OAQGFZSRPGOVME-UHFFFAOYSA-M",12237796,NA,"PDBC31023","246012","Present",NA,NA
+"31024","Agn-PC-0NI92I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC156302",NA,"CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.Cl","BYDVHCHTUDOXGJ-UHFFFAOYSA-N",12254669,NA,"PDBC31024","156302","Present",NA,NA
+"31025","Agn-PC-0NI9FK",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AGN-PC-0NI9FK",NA,"C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=CC(=CC4=C2)Br)Br)O.Cl","SIXVCFYNOPDLLZ-UHFFFAOYSA-N",12256922,NA,"PDBC31025","305773","Present",NA,NA
+"31026","Agn-PC-0jkhes",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC107529",NA,"C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N","WSMURVZCWHMKQP-UHFFFAOYSA-N",24040,NA,"PDBC31026","107529","Present",NA,NA
+"31027","Agn-PC-0mvjz6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Cyclohexanetriamine, N,N',N""""""""""""""""-tris[(3-methyl-2-pyri...",NA,"CC1=C(N=CC=C1)CNC2CC(CC(C2)NCC3=C(C=CC=N3)C)NCC4=C(C=CC=N4)C","NBJZSAVTZXVLDY-UHFFFAOYSA-N",9911352,NA,"PDBC31027","727152","Present",NA,NA
+"31028","Agroclavin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"agroclavin",NA,"CC1=CC2C(CC3=CNC4=CC=CC2=C34)N(C1)C","XJOOMMHNYOJWCZ-UHFFFAOYSA-N",287403,NA,"PDBC31028","93132","Present",NA,NA
+"31029","Agrocybin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Agrocybin",NA,"C(C#CC#CC#CC(=O)N)O","OXONWCQUZYDTNF-UHFFFAOYSA-N",11004,NA,"PDBC31029","636326","Present",NA,NA
+"31030","Agyptenone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Agyptenone A",NA,"CC1COC2=C1C(=O)C(=O)C3=C(C4=C(C=C32)C(CCC4)(C)C)C","CVAVSNHQPCEPRS-JTQLQIEISA-N",366408,NA,"PDBC31030","634777","Present",NA,NA
+"31031","Ailanthinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ailanthinone",NA,"CCC(C)C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C","GCIFFNDSOLTCAI-UHFFFAOYSA-N",428489,NA,"PDBC31031","238187","Present",NA,NA
+"31032","Ajoene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ajoene, trans-",NA,"C=CCSSC=CCS(=O)CC=C","IXELFRRANAOWSF-FNORWQNLSA-N",5386591,NA,"PDBC31032","614554","Present",NA,NA
+"31033","Akt1 and Akt2-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-5181;1,6-Naphthryidin-5(6H)-one, 3-phenyl-2-[4-[[4-[5...",NA,"C1CN(CCC1C2=NC(=NN2)C3=CC=CC=N3)CC4=CC=C(C=C4)C5=C(C=C6C(=N5)C=CNC6=O)C7=CC=CC=C7","BTUWHHFNOHVCMQ-UHFFFAOYSA-N",11656753,NA,"PDBC31033","789224","Present",NA,NA
+"31034","Alaninamide, N-acetylleucyllysyl-N1-[1-(methoxycarbonyl)cyclopentyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[2-[[2-[(2-acetamido-4-methylpentanoyl)amino]-6-aminohexanoyl]amino]propanoylamino]cyclopentane-1-carboxylate",NA,"CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC1(CCCC1)C(=O)OC)NC(=O)C","JEKRTKPFPZXYQP-UHFFFAOYSA-N",378126,NA,"PDBC31034","659927","Present",NA,NA
+"31035","Alanosine monosodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC153353",NA,"C(C(C(=O)O)N)[N+](=NO)[O-].[Na+]","GHMZJZVTLXTLOF-YSMBQZINSA-N",135476722,NA,"PDBC31035","153353","Present",NA,NA
+"31036","Alantolactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC93131",NA,"CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C","PXOYOCNNSUAQNS-AGNJHWRGSA-N",72724,NA,"PDBC31036","93131","Present",NA,NA
+"31037","Alatolid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alatolid",NA,"CC(C)C(=O)OC1CC(=CCCC(=CC2C1C(=C)C(=O)O2)CO)CO","IAKJNLGPQQXWAV-XUHALDTPSA-N",5359051,NA,"PDBC31037","295426","Present",NA,NA
+"31038","Albacarcin M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Albacarcin M",NA,"CC1C(C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C)OC)OC)O)(C)O)O","BJPYMDSMDBCKEP-UHFFFAOYSA-N",174343,NA,"PDBC31038","354843","Present",NA,NA
+"31039","Aldoxorubicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aldoxorubicin",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)CCCCCN6C(=O)C=CC6=O)CO)O)N)O","OBMJQRLIQQTJLR-USGQOSEYSA-N",9810709,NA,"PDBC31039","784722","Present",NA,NA
+"31040","Alexandroside I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alexandroside I",NA,"CC(CCC(C(C)(C)O)O)C1C(CC2(C1(CCC34C2CC(C5C3(C4)CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)O","DAIWNSRTSAKURT-CJJCFMJFSA-N",379058,NA,"PDBC31040","662828","Present",NA,NA
+"31041","Alizarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alizarin",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)O","RGCKGOZRHPZPFP-UHFFFAOYSA-N",6293,NA,"PDBC31041","7212","Present",NA,NA
+"31042","Alizarine S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alizarin s",NA,"C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)S(=O)(=O)O.[Na+]","HFVAFDPGUJEFBQ-UHFFFAOYSA-N",24181320,NA,"PDBC31042","7796","Present",NA,NA
+"31043","Alkaloid isolated from West African medicinal plant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alkaloid isolated from West African medicinal plant",NA,NA,NA,NA,NA,"PDBC31043","651013","Present",NA,NA
+"31044","Allamandicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALLAMANDICIN",NA,"CC(C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O)O","RMYLCIMGXGYTTK-UHFFFAOYSA-N",317838,NA,"PDBC31044","251691","Present",NA,NA
+"31045","Allantodapsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[[4-((4-Aminophenyl)sulfonyl)phenyl]-amino]methyl]-2,...",NA,"C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCN3C(=O)C(=O)C(=O)NC3=O","JPOVFEACCADFBU-UHFFFAOYSA-N",234402,NA,"PDBC31045","34238","Present",NA,NA
+"31046","Allocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allocolchicine",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)C(=O)OC)OC)OC)OC","NMKUAEKKJQYLHK-UHFFFAOYSA-N",347381,NA,"PDBC31046","406042","Present",NA,NA
+"31047","Allofuranose, diisopropylidene, P-toluenesulfona",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allofuranose, diisopropylidene, P-toluenesulfona",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2C(OC3C2OC(O3)(C)C)C4COC(O4)(C)C","FOVFLADZRUACHW-UHFFFAOYSA-N",26357,NA,"PDBC31047","14163","Present",NA,NA
+"31048","Allolaurinterol acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allolaurinterol acetate",NA,"CC1C(=C)CCC1(C)C2=C(C=C(C(=C2)Br)C)OC(=O)C","LVYHDYGLTMWWKI-YVEFUNNKSA-N",14239678,NA,"PDBC31048","720798","Present",NA,NA
+"31049","Allopumiliotoxin 267a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699383",NA,"CCCCC(C)C=C1CN2CCCC2C(C1O)(C)O","LWXKAVPXEDNHLL-VRUXTKGDSA-N",5470308,NA,"PDBC31049","699383","Present",NA,NA
+"31050","Allyl (2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyl (2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate",NA,"C=CCOC(=O)CN1C=CC(=O)NC1=O","FMLKEULTDWQKGO-UHFFFAOYSA-N",376608,NA,"PDBC31050","657619","Present",NA,NA
+"31051","Allyl (5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyl (5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate",NA,"CC1=CN(C(=O)NC1=O)CC(=O)OCC=C","OGDPODUWTCDHOX-UHFFFAOYSA-N",376609,NA,"PDBC31051","657620","Present",NA,NA
+"31052","Allyl (6-amino-9H-purin-9-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyl (6-amino-9H-purin-9-yl)acetate",NA,"C=CCOC(=O)CN1C=NC2=C(N=CN=C21)N","SKWUSSUTTOOGAL-UHFFFAOYSA-N",376610,NA,"PDBC31052","657621","Present",NA,NA
+"31053","Allyl 2,3-bis(3,4-dimethoxyphenyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyl 2,3-bis(3,4-dimethoxyphenyl)acrylate",NA,"COC1=C(C=C(C=C1)C=C(C2=CC(=C(C=C2)OC)OC)C(=O)OCC=C)OC","SCIJDCGJBCNTPX-ATVHPVEESA-N",5469073,NA,"PDBC31053","682566","Present",NA,NA
+"31054","Allyl 2,4,6-tribromophenyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-tribromophenylallyl ether",NA,"C=CCOC1=C(C=C(C=C1Br)Br)Br","RZLLIOPGUFOWOD-UHFFFAOYSA-N",76767,NA,"PDBC31054","35767","Present",NA,NA
+"31055","Allyl 3-(5,5-diphenyl-4H-isoxazol-2-ium-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyl 3-(5,5-diphenyl-4H-isoxazol-2-ium-2-yl)propanoate",NA,"C=CCOC(=O)CC[N+]1=CCC(O1)(C2=CC=CC=C2)C3=CC=CC=C3","DJJHTELNQHAMAV-UHFFFAOYSA-N",495304,NA,"PDBC31055","649442","Present",NA,NA
+"31056","Allyl alpha, sodium salt, Tri-O-acetate, (8:3 mixture)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyl .alpha.,.beta.-D-glucopyranoside-6-sulfonic acid, ...",NA,"CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OCC=C)CS(=O)(=O)O.[Na+]","PNJVGLAGVJHKMH-UHFFFAOYSA-N",54611272,NA,"PDBC31056","626235","Present",NA,NA
+"31057","Allyl alpha,sodium salt (alpha,beta anomers = 6:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyl .alpha.,.beta.-D-glucopyranoside-6-sulfonic acid,s...",NA,"C=CCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.[Na+]","XQEFRUUODQPSLV-UHFFFAOYSA-N",54608764,NA,"PDBC31057","626557","Present",NA,NA
+"31058","Allylbis(2-hydroxyethyl)octadecylammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Octadecanaminium, N,N-bis(2-hydroxyethyl)-N-2-propenyl...",NA,"CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC=C.[Cl-]","SCZZOCYLUDAHFS-UHFFFAOYSA-M",3086381,NA,"PDBC31058","176804","Present",NA,NA
+"31059","Allylhydroquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC407959",NA,"C=CCC1=C(C=CC(=C1)O)O","GUAZTQZHLVAYRM-UHFFFAOYSA-N",348577,NA,"PDBC31059","407959","Present",NA,NA
+"31060","Allyltriphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyltriphenylphosphonium bromide",NA,"C=CC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","FWYKRJUVEOBFGH-UHFFFAOYSA-M",197740,NA,"PDBC31060","110609","Present",NA,NA
+"31061","Almeine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Almeine",NA,"CC(=C)C1CC2=C(O1)C3=CC=CC=C3N(C2=O)C","DXOQSCPOXTUANK-UHFFFAOYSA-N",183727,NA,"PDBC31061","633788","Present",NA,NA
+"31062","Alnustone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HEP-DIENE-ONE DER FR ALPINA KATSUMANDAI",NA,"C1=CC=C(C=C1)CCC(=O)C=CC=CC2=CC=CC=C2","OWMJDOUOHDOUFG-FNCQTZNRSA-N",5317598,NA,"PDBC31062","378841","Present",NA,NA
+"31063","Aloe emodin anthrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aloe emodin anthrone",NA,"C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)CO","AVZIASIVCYCZND-UHFFFAOYSA-N",122840,NA,"PDBC31063","658578","Present",NA,NA
+"31064","Aloe-emodin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"emodine",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CO","YDQWDHRMZQUTBA-UHFFFAOYSA-N",10207,NA,"PDBC31064","38628","Present",NA,NA
+"31065","Aloeresin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aloeresin B",NA,NA,NA,NA,NA,"PDBC31065","114349","Present",NA,NA
+"31066","Alofanib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alofanib",NA,"CC1=CC(=C(C=C1C2=CN=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)C(=O)O)[N+](=O)[O-]","QUQGQIASFYWKAB-UHFFFAOYSA-N",86280646,NA,"PDBC31066","790182","Present",NA,NA
+"31067","Aloin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALOIN///NSC407305",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO","AFHJQYHRLPMKHU-UHFFFAOYSA-N",313325,NA,"PDBC31067","227189///407305","Present",NA,NA
+"31068","Alpen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ampi",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C","AVKUERGKIZMTKX-UHFFFAOYSA-N",2174,NA,"PDBC31068","528986","Present",NA,NA
+"31069","Alstonine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alstonine",NA,"CC1C2CN3C=CC4=C5C=CC=CC5=NC4=C3CC2C(=CO1)C(=O)OC.Cl","HKPNHORYVYLABA-VMESOOAKSA-N",24188474,NA,"PDBC31069","76161","Present",NA,NA
+"31070","Altemicidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Altemicidin",NA,"CN1CC2C(CC(C2(C(=O)O)NC(=O)CS(=O)(=O)N)O)C(=C1)C(=O)N","VZRFZUPFQKSXPV-VZZGELKGSA-N",6711682,NA,"PDBC31070","636979","Present",NA,NA
+"31071","Alternariol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alternariol",NA,"CC1=CC(=CC2=C1C3=C(C(=CC(=C3)O)O)C(=O)O2)O","CEBXXEKPIIDJHL-UHFFFAOYSA-N",5359485,NA,"PDBC31071","638263","Present",NA,NA
+"31072","Althiomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"matamycin",NA,"COC1=CC(=O)N(C1)C(=O)C2CSC(=N2)C(CO)NC(=O)C3=CSC(=N3)C=NO","VQQNQKXWJMRPHT-IJUHEHPCSA-N",135434097,NA,"PDBC31072","102809","Present",NA,NA
+"31073","Altiratinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Altiratinib",NA,"C1CC1C(=O)NC2=NC=CC(=C2)OC3=C(C=C(C(=C3)F)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F)F","GNNDEPIMDAZHRQ-UHFFFAOYSA-N",54576299,NA,"PDBC31073","784590","Present",NA,NA
+"31074","Alyssin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methysulfinylpentenl Isothiocyanate",NA,"CS(=O)CCCCCN=C=S","IUUQPVQTAUKPPB-UHFFFAOYSA-N",206035,NA,"PDBC31074","782920","Present",NA,NA
+"31075","Alyssonoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alyssonoside",NA,"CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)OC)COC4C(C(CO4)(CO)O)O)OCCC5=CC(=C(C=C5)O)O)O)O)O)O","BVFLJHVBTFJPHJ-WDMJVSCCSA-N",45027864,NA,"PDBC31075","729644","Present",NA,NA
+"31076","Amacid Fast Orange LW",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amacid Fast Orange LW",NA,"C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)Cl.[Na+]","XTYPFQZAWUIMBY-UHFFFAOYSA-N",135421977,NA,"PDBC31076","45535","Present",NA,NA
+"31077","Amaloside A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amaloside A",NA,"CC1C(C(CC(O1)OC2CCC3(C4CCC56C7CCC5(C4(CC=C3C2)O)OC7(OC6=O)C)C)OC)O","LFFWFWSSQJTRKO-CKDYGZRSSA-N",376236,NA,"PDBC31077","656918","Present",NA,NA
+"31078","Amaminol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amaminol A",NA,"CCC=CC1C=CC2CCCC2C1CCC(C(C)N)O","JCMLOIKRBBQIBA-HKYLSEBASA-N",10265530,NA,"PDBC31078","746541","Present",NA,NA
+"31079","Amaranthe",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC215207///NSC4300",NA,"C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","GYQUGTPIDGWSFX-UHFFFAOYSA-N",135436497,NA,"PDBC31079","215207///4300","Present",NA,NA
+"31080","Amarbellisine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amarbellisine",NA,"COC1=CC2CCN3C2C(C1O)C4=C(C3)C=C5CCOC5=C4","RUKLUTQGIAUONK-UHFFFAOYSA-N",24204348,NA,"PDBC31080","731431","Present",NA,NA
+"31081","Amberline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ambelline",NA,"COC1CC2C3(C=C1)C(CN2CC4=C(C5=C(C=C34)OCO5)OC)O","QAHZAHIPKNLGAS-MUPGEQOCSA-N",290811,NA,"PDBC31081","155222","Present",NA,NA
+"31082","Ambewelamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ambewelamide A",NA,"CCCC(=O)OC1C=C2CC34C(=O)N5C6C7C(O7)C(C=C6CC5(C(=O)N3C2C8C1O8)SS4)OC(=O)C","OBYDDBDJKUQGLS-BIQXIOCUSA-N",400501,NA,"PDBC31082","712399","Present",NA,NA
+"31083","Ambivalon hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ambivalon hydrochloride",NA,"C[N+](C)(CCC=C1C2=CC=CC=C2CCC3=CC=CC=C31)[O-].Cl","ZELYQHCTXSGSGS-UHFFFAOYSA-N",6450840,NA,"PDBC31083","176555","Present",NA,NA
+"31084","Ambrosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ambrosin",NA,"CC1CCC2C(C3(C1C=CC3=O)C)OC(=O)C2=C","IFXGCKRDLITNAU-UHFFFAOYSA-N",257272,NA,"PDBC31084","85235","Present",NA,NA
+"31085","Ambruticin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ambruticin",NA,"CCC1C(=CCC(O1)C(=CC(C)C=CC2C(C2C=CC3C(C(CC(O3)CC(=O)O)O)O)C)C)C","TYIXBSJXUFTELJ-DPSHAVHNSA-N",5477541,NA,"PDBC31085","328415","Present",NA,NA
+"31086","Amchloramide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amchloramide",NA,"CN(C)CCNC(=O)C1=CC=C(C2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)S(=O)(=O)N)Cl","NBJBYEWUDQCCEY-UHFFFAOYSA-N",364434,NA,"PDBC31086","630695","Present",NA,NA
+"31087","Amchlordimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amchlordimidine",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)Cl)C","ZPXXUTUFRQQFJK-UHFFFAOYSA-N",364436,NA,"PDBC31087","630697","Present",NA,NA
+"31088","Amchlorguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amchlorguanidine",NA,"CN(C)CCNC(=O)C1=CC=C(C2=C(C3=CC=CC=C3N=C12)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)Cl","GSVHSPKUXCMLES-UHFFFAOYSA-N",364435,NA,"PDBC31088","630696","Present",NA,NA
+"31089","Amchloroxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amchloroxazole",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)Cl","GZGVCWYDKIBYBG-UHFFFAOYSA-N",364437,NA,"PDBC31089","630698","Present",NA,NA
+"31090","Amebacillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fumidil",NA,"CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C","NGGMYCMLYOUNGM-DEHUIYDQSA-N",5351474,NA,"PDBC31090","9168","Present",NA,NA
+"31091","Americanolide D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Americanolide D",NA,"CC1CC2C(=C(C(=O)O2)C)CC3=C(CCC13)C","GJFWUKNHFPKSRX-PUYPPJJSSA-N",389712,NA,"PDBC31091","686292","Present",NA,NA
+"31092","Ametan-trone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Anthracenedione, 1,4-bis[[2-[(2-hydroxyethyl)amino]...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO.Cl","LVBWWAWEJJHBBG-UHFFFAOYSA-N",45261553,NA,"PDBC31092","290813","Present",NA,NA
+"31093","Ametantrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ametantrone",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO","FFGSXKJJVBXWCY-UHFFFAOYSA-N",2134,NA,"PDBC31093","196473","Present",NA,NA
+"31094","Amethopterin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Amethopterin///DL-Amethopterin",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","FBOZXECLQNJBKD-UHFFFAOYSA-N",4112,NA,"PDBC31094","117356///757113","Present",NA,NA
+"31095","Amg-337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-337",NA,"CC(C1=NN=C2N1C=C(C=C2F)C3=CN(N=C3)C)N4C=CC5=C(C4=O)C=C(C=N5)OCCOC","DWHXUGDWKAIASB-CQSZACIVSA-N",44181686,NA,"PDBC31095","789223","Present",NA,NA
+"31096","Amidimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amidimidine",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C)C","OVLGKUCOUVDMIU-UHFFFAOYSA-N",364440,NA,"PDBC31096","630701","Present",NA,NA
+"31097","Amiguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amiguanidine",NA,"CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","SCZUITFXVHBLTM-UHFFFAOYSA-N",364439,NA,"PDBC31097","630700","Present",NA,NA
+"31098","Amilamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amilamide",NA,"CN(C)CCNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=CC=C(C=C4)S(=O)(=O)N","NYGXRFGYCRYUOJ-UHFFFAOYSA-N",364438,NA,"PDBC31098","630699","Present",NA,NA
+"31099","Amino MBF-Cl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amino mbf-cl",NA,"COC1=CC2=C(C=C1)OC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl","YDBFNALYOSVYCN-UHFFFAOYSA-N",393538,NA,"PDBC31099","695592","Present",NA,NA
+"31100","Amino MMI-CI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amino mmi-ci",NA,"COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl","HISGMJJXXLWVIF-UHFFFAOYSA-N",393533,NA,"PDBC31100","695589","Present",NA,NA
+"31101","Amino MMI-S02 CI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amino mmi-s02 ci",NA,"COC1=CC2=C(C=C1)NC(=C2)S(=O)(=O)N3CC(C4=C3C=C(C=C4)N)CCl","ISMNEULRVCNSIM-UHFFFAOYSA-N",393532,NA,"PDBC31101","695588","Present",NA,NA
+"31102","Amino(((dimethylamino)(imino)methyl)amino)thioxomethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(N,N-dimethylcarbamimidoyl)thiourea",NA,"CN(C)C(=NC(=S)N)N","CXNDOSVLMPRBPY-UHFFFAOYSA-N",9569885,NA,"PDBC31102","622695","Present",NA,NA
+"31103","Amino(phenyl)methyl(methyl)phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphinic acid, (aminophenylmethyl)methyl-",NA,"CP(=O)(C(C1=CC=CC=C1)N)O","CCRZRZMDDQTEAH-UHFFFAOYSA-N",382237,NA,"PDBC31103","669691","Present",NA,NA
+"31104","Amino-[3-[amino(dimethyl)azaniumyl]propyl]-dimethylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amino-[3-[amino(dimethyl)azaniumyl]propyl]-dimethylazanium;bromide",NA,"C[N+](C)(CCC[N+](C)(C)N)N.[Br-]","CMRUDEYBAAGUBO-UHFFFAOYSA-M",5351847,NA,"PDBC31104","63052","Present",NA,NA
+"31105","Amino-[6-[2-[[6-amino-1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[[2-[[6-[amino(imino)azaniumyl]-2-[[6-[amino(imino)azaniumyl]-2-[(4-methoxybenzoyl)amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-6-oxohexyl]-iminoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amino-[6-[2-[[6-amino-1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-[[2-[[6-[amino(imino)azaniumyl]-2-[[6-[amino(imino)azaniumyl]-2-[(4-methoxybenzoyl)amino",NA,"CCC(C)C(C(=O)NC(CCCC[N+](=N)N)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CCCC[N+](=N)N)NC(=O)C(CCCC[N+](=N)N)NC(=O)C2=CC=C(C=C2)OC","KQDJACGQRYZQSN-UHFFFAOYSA-Q",6712630,NA,"PDBC31105","701998","Present",NA,NA
+"31106","Amino-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-dimethylazanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amino-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-dimethylazanium;chloride",NA,"C[N+](C)(CC1=NC(=NO1)C2=CC=C(C=C2)Cl)N.[Cl-]","ISCVRMGTQJUBMY-UHFFFAOYSA-M",5458678,NA,"PDBC31106","310352","Present",NA,NA
+"31107","Aminomethyl (4-bromophenyl)acetate 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminomethyl (4-bromophenyl)acetate 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1CC(=O)OCN)Br","MYPWTNXKXQLTLU-UHFFFAOYSA-N",290763,NA,"PDBC31107","154966","Present",NA,NA
+"31108","Aminoperezone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697125",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)N","XLXAGOXNBSTQMA-SECBINFHSA-N",394008,NA,"PDBC31108","697125","Present",NA,NA
+"31109","Aminopterine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC739///NSC757427",NA,"C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=NC(=N3)N)N","TVZGACDUOSZQKY-UHFFFAOYSA-N",2154,NA,"PDBC31109","739///757427","Present",NA,NA
+"31110","Aminopyrimidine (Scaffold I)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ENMD-2076 Precursor",NA,"CC1=CC(=NN1)NC2=CC(=NC(=N2)C#CC3=CC=CC=C3)N4CCN(CC4)C","YARGQNDSHRVPPT-UHFFFAOYSA-N",16223204,NA,"PDBC31110","759094","Present",NA,NA
+"31111","Aminopyrimidine-CH3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminopyrimidine-CH3",NA,"CC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)NC(=N2)N","UCXARMUKMKBNJB-UHFFFAOYSA-N",406278,NA,"PDBC31111","724330","Present",NA,NA
+"31112","Aminopyrimidine-F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminopyrimidine-F",NA,"C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(N=C(N4)N)C5=CC=C(C=C5)F","QWSJVMPESHFASZ-UHFFFAOYSA-N",406276,NA,"PDBC31112","724328","Present",NA,NA
+"31113","Aminosiline, sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"neomycin e sulfate",NA,"C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N.OS(=O)(=O)O","LJRDOKAZOAKLDU-UHFFFAOYSA-N",5458443,NA,"PDBC31113","227228","Present",NA,NA
+"31114","Aminothiadiazines",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminothiadiazines",NA,"COC1=CC=C(C=C1)N=C2CSC3=NN=C(N3N2)C4=CC(=C(C=C4Cl)Cl)F","CPXVCTPPHDSYBI-UHFFFAOYSA-N",135550831,NA,"PDBC31114","742088","Present",NA,NA
+"31115","Amino{N-[(4-methylphenyl)sulfonyl]carbamoyl}sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{[(4-Methylphenyl)sulfonyl]carbamoyl}sulfamic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NS(=O)(=O)O","QGTURJWTCFSQEV-UHFFFAOYSA-N",396499,NA,"PDBC31115","702684","Present",NA,NA
+"31116","Amiodarone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMIODARONE HYDROCHLORIDE///NSC85442",NA,"CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl","ITPDYQOUSLNIHG-UHFFFAOYSA-N",441325,NA,"PDBC31116","759560///85442","Present",NA,NA
+"31117","Amioxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amioxazole",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCN(C)C","MEPBXVRLHNVDKZ-UHFFFAOYSA-N",364441,NA,"PDBC31117","630702","Present",NA,NA
+"31118","Amlodipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amlodipine",NA,NA,"CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN","HTIQEAQVCYTUBX-UHFFFAOYSA-N",2162,NA,"PDBC31118",NA,"Absent",NA,NA
+"31119","Ammodoreim diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammodoreim diacetate",NA,"CC(C1CCC(C12C(=O)C3=CC=CC=C3OC2=O)(C)C=C)C(=O)C(C=C(C)C)OC(=O)C","VLAIOKFPOXWDDO-UHFFFAOYSA-N",375429,NA,"PDBC31119","655151","Present",NA,NA
+"31120","Ammonia; 2,5-dimethylhexane-2,5-diamine; platinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonia; 2,5-dimethylhexane-2,5-diamine; platinum(2+)",NA,NA,NA,NA,NA,"PDBC31120","632794","Present",NA,NA
+"31121","Ammonia; 2-(trichloro-$l^{4}-tellanyl)oxyoctanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonia; 2-(trichloro-$l^{4}-tellanyl)oxyoctanal",NA,NA,NA,NA,NA,"PDBC31121","641010","Present",NA,NA
+"31122","Ammonia; butane-1,4-diamine; chloroplatinum(1+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonia; butane-1,4-diamine; chloroplatinum(1+)",NA,NA,NA,NA,NA,"PDBC31122","632795","Present",NA,NA
+"31123","Ammonia; chloroplatinum(1+); 2,5-dimethylhexane-2,5-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonia; chloroplatinum(1+); 2,5-dimethylhexane-2,5-diamine",NA,NA,NA,NA,NA,"PDBC31123","632797","Present",NA,NA
+"31124","Ammonia; chloroplatinum(1+); propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonia; chloroplatinum(1+); propane-1,3-diamine",NA,NA,NA,NA,NA,"PDBC31124","632796","Present",NA,NA
+"31125","Ammonia; dichloroplatinum; isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonia; dichloroplatinum; isoquinoline",NA,NA,NA,NA,NA,"PDBC31125","662253","Present",NA,NA
+"31126","Ammonia; dichloroplatinum; quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonia; dichloroplatinum; quinoline",NA,NA,NA,NA,NA,"PDBC31126","662252","Present",NA,NA
+"31127","Ammonia; iodoruthenium(1+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonia; iodoruthenium(1+)",NA,NA,NA,NA,NA,"PDBC31127","617769","Present",NA,NA
+"31128","Ammonia; pentane-1,5-diamine; platinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonia; pentane-1,5-diamine; platinum(2+)",NA,NA,NA,NA,NA,"PDBC31128","632792","Present",NA,NA
+"31129","Ammonium 2-nitrobutane-1-sulphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: wsq1y2&nw &zh",NA,"CCC(CS(=O)(=O)O)[N+](=O)[O-].N","IAYJTCDGIDYACG-UHFFFAOYSA-N",111185,NA,"PDBC31129","8960","Present",NA,NA
+"31130","Ammonium Trichlorotellurate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonium Trichlorotellurate",NA,NA,NA,NA,NA,"PDBC31130","618654","Present",NA,NA
+"31131","Ammonium salt of OMDPI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonium salt of OMDPI",NA,"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)O)OC.N","REHZVQNQRCOIJT-SHWZFQQJSA-N",402463,NA,"PDBC31131","716434","Present",NA,NA
+"31132","Ammonium sodium 21-tungsto-9-antimonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonium sodium 21-tungsto-9-antimonate",NA,NA,NA,NA,NA,"PDBC31132","627460","Present",NA,NA
+"31133","Ammonium tetrathiomolybdate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonium tetrathiomolybdate",NA,NA,NA,NA,NA,"PDBC31133","714598","Present",NA,NA
+"31134","Ammonium, bis(2-chloroethyl)methyl(p-nitrobenzyl)-bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"adl 20",NA,"C[N+](CCCl)(CCCl)CC1=CC=C(C=C1)[N+](=O)[O-].[Br-]","LWRFFEYYNHNRMH-UHFFFAOYSA-M",21142660,NA,"PDBC31134","71087","Present",NA,NA
+"31135","Ammonium, phenethyltrimethyl-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonium, phenethyltrimethyl-, iodide",NA,"C[N+](C)(C)CCC1=CC=CC=C1.[I-]","OFZAYFUSFITYES-UHFFFAOYSA-M",14107,NA,"PDBC31135","1848","Present",NA,NA
+"31136","Ammonium, trimethyl(1-phenyldodecyl)-, p-toluenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonium, trimethyl(1-phenyldodecyl)-, p-toluenesulfonate",NA,"CCCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]","YHWONCKMYWPLOG-UHFFFAOYSA-M",21144271,NA,"PDBC31136","69509","Present",NA,NA
+"31137","Ammonium,3-b]-1,4-benzothiazin-3-yl)-iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonium, trimethyl(10H-pyridazo[4,3-b]-1,4-benzothiazin...",NA,"C[N+](C)(C)C1=NN=C2C(=C1)SC3=CC=CC=C3N2.[I-]","FVCACWMGRLJVMH-UHFFFAOYSA-M",5351718,NA,"PDBC31137","24479","Present",NA,NA
+"31138","Amphethinile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-3-carbonitrile, 2-amino-5-(phenylthio)-",NA,"C1=CC=C(C=C1)SC2=CC3=C(C=C2)NC(=C3C#N)N","LHNIUFUSFGYJEO-UHFFFAOYSA-N",146332,NA,"PDBC31138","383336","Present",NA,NA
+"31139","Amphomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amphomycin",NA,NA,NA,NA,NA,"PDBC31139","76656","Present",NA,NA
+"31140","Amquinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amquinolate",NA,"CCCC1=CC2=C(C=C1N(CC)CC)NC=C(C2=O)C(=O)OC","NMYCTBARPUAEQN-UHFFFAOYSA-N",28414,NA,"PDBC31140","339053","Present",NA,NA
+"31141","Amrit Kalash",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amrit Kalash",NA,NA,NA,NA,NA,"PDBC31141","614487","Present",NA,NA
+"31142","Amsalog",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CI-921: amsacrine derivative",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NC)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.C(CS(=O)(=O)O)O","MWXDBWAFWBSGFA-UHFFFAOYSA-N",157348,NA,"PDBC31142","343499","Present",NA,NA
+"31143","Amylcinnamaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"jasmal",NA,"CCCCCC(=CC1=CC=CC=C1)C=O","HMKKIXGYKWDQSV-SDNWHVSQSA-N",1623625,NA,"PDBC31143","6649","Present",NA,NA
+"31144","Amythiamicin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amythiamicin A",NA,"CC1=C2C(=O)NC(C3=NC(=CS3)C(=O)NCC(=O)NC(C4=NC(=CS4)C5=NC(=CS5)C6=C(C=CC(=N6)C7=NC(=CS7)C8=NC(CO8)C(=O)N9CCCC9C(=O)N)C3=NC(=CS3)C(=O)NC(C(=N2)S1)CC(=O)NC)C(C)C)C(C)C","BAGBLRBLZUISAJ-UHFFFAOYSA-N",198789,NA,"PDBC31144","677423","Present",NA,NA
+"31145","Analog of CC-1065",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619030///NSC619031",NA,NA,NA,NA,NA,"PDBC31145","619030///619031","Present",NA,NA
+"31146","Analogue 4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Analogue 4",NA,"C1=CC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)Cl)C(=O)C1NC(=O)CNC4=C(C=C(C=C4)Cl)Cl","VHWBWHBJEXGPNM-UHFFFAOYSA-N",390408,NA,"PDBC31146","687762","Present",NA,NA
+"31147","Anamarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anamarine",NA,"CC(C(C(C(C=CC1CC=CC(=O)O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","IIGKKKGWVQSBLY-MDZDMXLPSA-N",5477554,NA,"PDBC31147","329499","Present",NA,NA
+"31148","Anaxirone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anaxirone",NA,"C1C(O1)CN2C(=O)N(N(C2=O)CC3CO3)CC4CO4","ZTXDHEQQZVFGPK-UHFFFAOYSA-N",71218,NA,"PDBC31148","332488","Present",NA,NA
+"31149","Anchusoside-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anchusoside-1",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C","LKYABSOYLMWGQR-UHFFFAOYSA-N",434119,NA,"PDBC31149","342981","Present",NA,NA
+"31150","Andirolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Andirobin",NA,"CC1(C(C(C=CC1=O)(C)C2CCC3(C(OC(=O)C4C3(C2=C)O4)C5=COC=C5)C)CC(=O)OC)C","BFUCTROUWLSVBH-UBGAJCGWSA-N",266444,NA,"PDBC31150","104301","Present",NA,NA
+"31151","Andrastin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Andrastin A",NA,"CC1C(=O)C2(C(=CC3C(C2(C1=O)C(=O)OC)(CCC4C3(CCC(C4(C)C)OC(=O)C)C=O)C)C)C","GRBXNADBNJGZRK-GJEDHNSHSA-N",6712564,NA,"PDBC31151","697452","Present",NA,NA
+"31152","Andromedol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Andromedol",NA,"CC1(C(CC2C1(C(CC34CC(C(C3O)CCC4C2(C)O)(C)O)O)O)O)C","BWMFRQKICHXLSH-UHFFFAOYSA-N",3511,NA,"PDBC31152","323778","Present",NA,NA
+"31153","Andromedotoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gtx-i",NA,"CC(=O)OC1C2CCC3C1(CC(C4(C(C3(C)O)CC(C4(C)C)O)O)O)CC2(C)O","NXCYBYJXCJWMRY-UHFFFAOYSA-N",231125,NA,"PDBC31153","26711","Present",NA,NA
+"31154","Androst-1-en-3-one, (5-beta, 17-beta)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Androst-1-en-3-one, 17-acetyloxy-5-methyl-, (5-beta, 17-...",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4(C3(C=CC(=O)C4)C)C)C","GXMMKARTZXYAEA-YFPRSNTKSA-N",363782,NA,"PDBC31154","628995","Present",NA,NA
+"31155","Androst-4-en-3-one, 3-O-[2-(1-piperidinyl)ethyl]oxime, (17beta)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-O-[2-(1-pi...",NA,"CC12CCC(=NOCCN3CCCCC3)C=C1CCC4C2CCC5(C4CCC5(C#C)O)C","MLJQBZBIZKOJSO-GWSARYNTSA-N",6520042,NA,"PDBC31155","701575","Present",NA,NA
+"31156","Androst-4-en-3-one, 3-O-[2-(1-pyrrolidinyl)ethyl]oxime, (17beta)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-O-[2-(1-py...",NA,"CC12CCC(=NOCCN3CCCC3)C=C1CCC4C2CCC5(C4CCC5(C#C)O)C","MSACPCHIHVLAKU-IKGDYTMASA-N",6520040,NA,"PDBC31156","701574","Present",NA,NA
+"31157","Androst-4-en-3-one, 3-O-[2-(diethylamino)ethyl]oxime, (17beta)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Androst-4-en-3-one, 17-ethynyl-17-hydroxy-, 3-O-[2-(diet...",NA,"CCN(CC)CCON=C1CCC2(C3CCC4(C(C3CCC2=C1)CCC4(C#C)O)C)C","FRFIBWKMAMDHAY-IKGDYTMASA-N",6520039,NA,"PDBC31157","701573","Present",NA,NA
+"31158","Androst-5-en-17-one, 17-oxime, (3beta)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Androst-5-en-17-one, 3-acetyloxy-16-phenylmethylene-, 17...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=CC=C5)C4=NO)C)C","YDTGQMYBRWVALF-SDKGPYMASA-N",9572078,NA,"PDBC31158","701570","Present",NA,NA
+"31159","Anemonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anemonin",NA,"C1CC2(C13C=CC(=O)O3)C=CC(=O)O2","JLUQTCXCAFSSLD-UHFFFAOYSA-N",10496,NA,"PDBC31159","94101","Present",NA,NA
+"31160","Angeloxygrandifloric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"angelylgrandifloric acid",NA,"CC=C(C)C(=O)OC1C(=C)C2CCC3C1(C2)CCC4C3(CCCC4(C)C(=O)O)C","BJWJSOYJPSJWKC-GIDUJCDVSA-N",5477845,NA,"PDBC31160","360852","Present",NA,NA
+"31161","Anguidine deriv 15-chloroacetylscirpene-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANGUIDINE DERIV 15-CHLOROACETYLSCIRPENE-3,4-DIOL",NA,"CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)CCl","QPVVAWSGXBERRH-NCPLGYIASA-N",325730,NA,"PDBC31161","294913","Present",NA,NA
+"31162","Anhydrofusarubin lactol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5,10-Trihydroxy-7-methoxy-3-methyl-1H-naphtho[2,3-c]py...",NA,"CC1=CC2=C(C(O1)O)C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O","KBYFQSOWBFNZAW-UHFFFAOYSA-N",148043,NA,"PDBC31162","626482","Present",NA,NA
+"31163","Anhydrolycorinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"anhydrolycorinium chloride",NA,"C1C[N+]2=CC3=CC4=C(C=C3C5=CC=CC1=C52)OCO4.[Cl-]","YUKCDVBATKXVAK-UHFFFAOYSA-M",181302,NA,"PDBC31163","270693","Present",NA,NA
+"31164","Aniline, 2,3-methylenedioxy-N-(2-oxazolinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-19885",NA,"C1COC(=N1)NC2=C3C(=CC=C2)OCO3","PHLSSDGVLBBNGZ-UHFFFAOYSA-N",33633,NA,"PDBC31164","664288","Present",NA,NA
+"31165","Aniline, 3,4-methylenedioxy-N-(2-oxazolinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-19886",NA,"C1COC(=N1)NC2=CC3=C(C=C2)OCO3","SMPAXXXLWWFLFY-UHFFFAOYSA-N",33632,NA,"PDBC31165","664285","Present",NA,NA
+"31166","Aniline; 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aniline; 3,3,3-trifluoro-2-(trifluoromethyl)propanoic acid",NA,"C1=CC=C(C=C1)N.C(C(=O)O)(C(F)(F)F)C(F)(F)F","UZBBSNNYBDJOGU-UHFFFAOYSA-N",385605,NA,"PDBC31166","676911","Present",NA,NA
+"31167","Aniline;[hydroxy(phenyl)phosphoryl]oxy-phenylphosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diphenyldiphosphonic acid compound with aniline (1:1)",NA,"C1=CC=C(C=C1)N.C1=CC=C(C=C1)P(=O)(O)OP(=O)(C2=CC=CC=C2)O","GONOCOYKSBKRQS-UHFFFAOYSA-N",3246213,NA,"PDBC31167","52929","Present",NA,NA
+"31168","Aniline;phenylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aniline;phenylphosphonic acid",NA,"C1=CC=C(C=C1)N.C1=CC=C(C=C1)P(=O)(O)O","SDEUFAJBZNDTEW-UHFFFAOYSA-N",243335,NA,"PDBC31168","52927","Present",NA,NA
+"31169","Anilinocarbamothioylsulfanyl(p-tolyl)mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anilinocarbamothioylsulfanyl(p-tolyl)mercury",NA,NA,NA,NA,NA,"PDBC31169","631946","Present",NA,NA
+"31170","Anilinopyrazole deriv. 1f",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW831091X",NA,"C1=CC(=CC=C1NC2=NNC(=C2)C3=CC(=C(C=C3)O)F)S(=O)(=O)N","QVUJFGWIMPTAEH-UHFFFAOYSA-N",135435019,NA,"PDBC31170","756400","Present",NA,NA
+"31171","Anilinopyrazole deriv. 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW824645A",NA,"C1=CC(=CC(=C1)S(=O)(=O)N)NC2=NNC(=C2)C3=CC=C(C=C3)F","KTEUANCPUUWBLK-UHFFFAOYSA-N",6539626,NA,"PDBC31171","756383","Present",NA,NA
+"31172","Aniloacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aniloacrone",NA,"C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O","ACOXIXFJZBWHRO-UHFFFAOYSA-N",364450,NA,"PDBC31172","630711","Present",NA,NA
+"31173","Anisatin, 6-dehydroxy-2-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anisatin, neo-, 6-dehydroxy-2-oxo-",NA,"CC1C2CC3(C(C(=O)CC3(C14COC4=O)O)C)C(C(=O)O2)O","PKSKJUUWVGTFQJ-RXYKYZJYSA-N",375848,NA,"PDBC31173","656102","Present",NA,NA
+"31174","Anisoacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anisoacrone",NA,"COC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O","WIKNBSHSJZLCES-UHFFFAOYSA-N",364452,NA,"PDBC31174","630713","Present",NA,NA
+"31175","Annamycin Liposomal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Annamycin Liposomal",NA,NA,NA,NA,NA,"PDBC31175","700363","Present",NA,NA
+"31176","Annoglaucin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Annoglaucin",NA,"CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCC(CCCCCC(CC3=CC(OC3=O)C)O)O)O)O","QFFLFGFTHVFFDL-UHFFFAOYSA-N",393475,NA,"PDBC31176","695408","Present",NA,NA
+"31177","Annonacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Annonacin",NA,"CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O","XNODZYPOIPVPRF-CGWDHHCXSA-N",354398,NA,"PDBC31177","606194","Present",NA,NA
+"31178","Annonacin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Annonacin A",NA,"CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O","XNODZYPOIPVPRF-ZDTLKTIVSA-N",393471,NA,"PDBC31178","695404","Present",NA,NA
+"31179","Anorographolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANOROGRAPHOLIC ACID",NA,"CC12CCC(C(C1CCC(=C)C2CC(C(=CCO)C(=O)O)O)(C)CO)O","MEXBYSAGIOJJTO-QPEQYQDCSA-N",5387874,NA,"PDBC31179","629040","Present",NA,NA
+"31180","Ansamitocin deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANSAMITOCIN DERIV",NA,"CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)O)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2)O","YQVKSZNVVCIETH-LZPFAXMTSA-N",54604600,NA,"PDBC31180","314018","Present",NA,NA
+"31181","Ansatrienin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ansatrienin A",NA,"CC1C(CC=CC=CC=CC(CC(=O)NC2=CC(=O)C=C(C2=O)CCC=C(C1O)C)OC)OC(=O)C(C)NC(=O)C3CCCCC3","WWUVMHRJRCRFSL-NRXKGJIXSA-N",155807092,NA,"PDBC31181","789949","Present",NA,NA
+"31182","Antacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Amuno",NA,"CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)CC(=O)O.[K+]","CTLBXOFGMSQAQY-UHFFFAOYSA-N",20071791,NA,"PDBC31182","77541","Present",NA,NA
+"31183","Antalarmin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antalarmin",NA,"CCCCN(CC)C1=NC(=NC2=C1C(=C(N2C3=C(C=C(C=C3C)C)C)C)C)C","IXPROWGEHNVJOY-UHFFFAOYSA-N",177990,NA,"PDBC31183","715590","Present",NA,NA
+"31184","Antcin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antcin B",NA,"CC1C2CC(=O)C3=C(C2(CCC1=O)C)C(=O)CC4(C3CCC4C(C)CCC(=C)C(C)C(=O)O)C","DVORYMAGXQGBQK-BQPMOXFZSA-N",387397,NA,"PDBC31184","681145","Present",NA,NA
+"31185","Anthanthrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthanthron",NA,"C1=CC2=C3C(=C1)C(=O)C4=C5C3=C(C=C2)C(=O)C6=CC=CC(=C65)C=C4","PGEHNUUBUQTUJB-UHFFFAOYSA-N",94183,NA,"PDBC31185","30986","Present",NA,NA
+"31186","Anthelmycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthelmycin",NA,"C1=CN(C(=O)N=C1N)C2C(C(C(C(O2)C(C(C(C(C(CO)O)O)O)O)OC3C(C(C(C(O3)CO)O)N)O)N)O)O","VQQSDVBOXQHCHU-UHFFFAOYSA-N",66365,NA,"PDBC31186","337588","Present",NA,NA
+"31187","Anthra[1,2-c]isoxazole-6,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A823218",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=NOC=C4C=C3","IRIKYSAFFJRSMS-UHFFFAOYSA-N",363747,NA,"PDBC31187","628939","Present",NA,NA
+"31188","Anthra[1,9-cd]pyrazol-6(2H)-one der.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthrapyrazole derivative",NA,"CC(=O)O.CNCCN=C1C=CC2=C3C1=C(C4=C(C=CC(=O)C4=C3NN2CCNCCO)O)O","HWXPPHPMDNLIOG-UHFFFAOYSA-N",434731,NA,"PDBC31188","355644","Present",NA,NA
+"31189","Anthracenedione diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ametantrone acetate",NA,"CC(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NCCNCCO)NCCNCCO","IAGMBSXKAGFBJT-UHFFFAOYSA-N",6917684,NA,"PDBC31189","287513","Present",NA,NA
+"31190","Anthralin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,8-dihydroxyanthrone",NA,"C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O","NUZWLKWWNNJHPT-UHFFFAOYSA-N",2202,NA,"PDBC31190","43970","Present",NA,NA
+"31191","Anthramycin methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthramycin methyl ether",NA,"CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)OC)C=CC(=O)N)O","YRMCBQLZVBXOSJ-PCFSSPOYSA-N",5351221,NA,"PDBC31191","106408","Present",NA,NA
+"31192","Anthranilaldehyde, phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nitrin (VAN)",NA,"C1=CC=C(C=C1)NN=CC2=CC=CC=C2N","LCPNCBSCOIMOBC-GDNBJRDFSA-N",5375979,NA,"PDBC31192","59996","Present",NA,NA
+"31193","Anthraquinone, 1-(benzathronyl-3'-amino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anthraquinone, 1-(benzathronyl-3'-amino)-",NA,"C1=CC=C2C(=C1)C3=C4C(=C(C=C3)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)C=CC=C4C2=O","IYIHHRQMVJYLAX-UHFFFAOYSA-N",66496,NA,"PDBC31193","13987","Present",NA,NA
+"31194","Anti-human Fas, monoclonal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anti-human Fas, monoclonal",NA,NA,NA,NA,NA,"PDBC31194","676807","Present",NA,NA
+"31195","Antibiotic 1907-VIII",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antibiotic p 168",NA,"CCC(C)C=CC(=O)N1CC(CC1C(=O)NC(CC(C)CC(CC(=O)CC)O)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CN(C)C)C","FOAIGCPESMNWQP-WCWDXBQESA-N",5477807,NA,"PDBC31195","356885","Present",NA,NA
+"31196","Antibiotic 2-79-A(5)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antibiotic 2-79-A(5)",NA,NA,NA,NA,NA,"PDBC31196","600391","Present",NA,NA
+"31197","Antibiotic A-31438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A 31438",NA,"CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)O)C)O)(C)O)C)C)O)C","WWWXDCNRNMZGEN-UHFFFAOYSA-N",308371,NA,"PDBC31197","209870","Present",NA,NA
+"31198","Antibiotic AT-116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pentalenolactone",NA,"CC1C2C=C(C3C2(C=C1C)C4(CO4)C(=O)OC3)C(=O)O","NUPNVWUYFVEAIT-UHFFFAOYSA-N",282522,NA,"PDBC31198","136036","Present",NA,NA
+"31199","Antibiotic B 14437 (base)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SANGIVAMYCIN",NA,"C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)N","OBZJZDHRXBKKTJ-UHFFFAOYSA-N",5153,NA,"PDBC31199","65346","Present",NA,NA
+"31200","Antibiotic B 58941B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antibiotic B 58941B",NA,"CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(C(C(O3)C)O)N(C)C)O)CC=O)C)C)C","PYLRKBRNWXMGSG-ZRDIBKRKSA-N",5358378,NA,"PDBC31200","246129","Present",NA,NA
+"31201","Antibiotic CC 1065",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cc-1065",NA,"CC1=CNC2=C1C34CC3CN(C4=CC2=O)C(=O)C5=CC6=C7CCN(C7=C(C(=C6N5)OC)O)C(=O)C8=CC9=C1CCN(C1=C(C(=C9N8)OC)O)C(=O)N","UOWVMDUEMSNCAV-UHFFFAOYSA-N",73240,NA,"PDBC31201","298223","Present",NA,NA
+"31202","Antibiotic G 418 sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"geneticin",NA,"CC(C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3)(C)O)NC)O)N)N)N)O)O)O.OS(=O)(=O)O","QNQZPJLBGRQFDD-UHFFFAOYSA-N",354577,NA,"PDBC31202","606702","Present",NA,NA
+"31203","Antibiotic K 252a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"K-252a",NA,"CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)OC)O","KOZFSFOOLUUIGY-SOLYNIJKSA-N",3035817,NA,"PDBC31203","800777","Present",NA,NA
+"31204","Antibiotic SF 2446A1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptomyces antibiotic SF-2446-A-1",NA,"CC1C(C(C(C(O1)NC2=CC(=O)C3=C(C4=C(C=C3C2=O)C(=O)C5(C6=C(CC(C5(C4=O)OC)O)C=C(C(=C6O)C(=O)OC)C)O)O)OC)O)OC","QAXIGMXDHAMYPV-UHFFFAOYSA-N",197261,NA,"PDBC31204","624488","Present",NA,NA
+"31205","Antibiotic UK 63052",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"streptomyces antibiotic",NA,"CCC(C)SC1C2C(=O)N(C3(CC3C)C(=O)OCC(C(=O)NC(C(=O)N(C(CS1)C(=O)N(C4(CC4C)C(=O)OCC(C(=O)NC(C(=O)N2C)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O)C","VABRZWDEEDQLRD-UHFFFAOYSA-N",149070,NA,"PDBC31205","630678","Present",NA,NA
+"31206","Antibiotic X-14766A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antibiotic X-14766A",NA,"CCOC(=O)C1C(CC(O1)C2(C(C(C3(O2)C(C=CC4(O3)C(CC(C(O4)C(C)C(=O)C(C)C(C(C)CC(C)C5=C(C=C(C(=C5C(=O)O)O)C)Cl)O)C)C)O)C)OC)C)O","NZHCPUBOSWFGNA-UHFFFAOYSA-N",434840,NA,"PDBC31206","359239","Present",NA,NA
+"31207","Antibiotic X-5108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antibiotic X-5108",NA,"CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(C=CN(C2=O)C)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O","NTAHMPNXQOYXSX-LZDJHEHNSA-N",135468150,NA,"PDBC31207","233989","Present",NA,NA
+"31208","Antibiotic from Streptomyces nogalater",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nogalamycin",NA,"CC1C(C(C(C(O1)OC2CC(C(C3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)N(C)C)O)O)C(=O)OC)(C)O)OC)(C)OC)OC","KGTDRFCXGRULNK-QNQBSKBHSA-N",250876,NA,"PDBC31208","70845","Present",NA,NA
+"31209","Antibiotic mixture B-1625 FA2 & FA3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antibiotic mixture B-1625 FA2 & FA3",NA,NA,NA,NA,NA,"PDBC31209","600392","Present",NA,NA
+"31210","Antimony(5+);cyclohexylmethanesulfonamide;pyridine;pentachloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13950",NA,"C1CC(CC[CH-]1)CS(=O)(=O)N.C1=CC=NC=C1.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Sb+5]","NSVXAGDVUKFJGO-UHFFFAOYSA-I",135421821,NA,"PDBC31210","13950","Present",NA,NA
+"31211","Antimony, mu-iododiiodo[mu-(4-thiomorpholinecarbodi- thi...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antimony, mu-iododiiodo[mu-(4-thiomorpholinecarbodi- thi...",NA,NA,NA,NA,NA,"PDBC31211","625499","Present",NA,NA
+"31212","Antimycin A3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"blastmycin",NA,"CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C","PVEVXUMVNWSNIG-PDPGNHKXSA-N",245869,NA,"PDBC31212","58239","Present",NA,NA
+"31213","Antimycin A3 methyl ether FH-25",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antimycin A3 methyl ether FH-25",NA,"CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)CC(C)C.CCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)C(C)CC","LKOJXCYSXSJOKD-GFDRACFDSA-N",6712909,NA,"PDBC31213","719664","Present",NA,NA
+"31214","Antineoplastic-108731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-108731",NA,"C1=CC(=CC=C1C2=CC=C(C=C2)[As](=O)(O)O)S(=O)(=O)N.N","XGZXVFYLKSNDSK-UHFFFAOYSA-N",24190450,NA,"PDBC31214","108731","Present",NA,NA
+"31215","Antineoplastic-11452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-11452",NA,"C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)[As]=O","YUOGJQAYDKANMW-UHFFFAOYSA-N",223660,NA,"PDBC31215","11452","Present",NA,NA
+"31216","Antineoplastic-13705",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-13705",NA,"C1=CC(=CC=C1N=NC2=CC=C(C=C2)[As](=O)(O)O)[As](=O)(O)O.[Na+]","NOKLWTBWCMWRCD-UHFFFAOYSA-N",24182103,NA,"PDBC31216","13705","Present",NA,NA
+"31217","Antineoplastic-13770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-13770",NA,"C1=CC(=CC=C1C(C(=O)O)O)[As](=O)(O)O.[Na+]","XZEJNJJJDFWCRA-UHFFFAOYSA-N",24182116,NA,"PDBC31217","13770","Present",NA,NA
+"31218","Antineoplastic-163966",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-163966",NA,"C1=CC(=CC=C1NC(=O)CO)[As](=O)(O)O.[Na+]","UBGOFPKOVIKDPL-UHFFFAOYSA-N",54604418,NA,"PDBC31218","163966","Present",NA,NA
+"31219","Antineoplastic-16414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-16414",NA,"C[As+](C)(C1=CC(=C(C=C1)Br)[N+](=O)[O-])C2=CC(=C(C=C2)Br)[N+](=O)[O-].[N+](=O)(O)[O-]","QIRTZFGQAVHKFZ-UHFFFAOYSA-N",3246061,NA,"PDBC31219","16414","Present",NA,NA
+"31220","Antineoplastic-269184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-269184",NA,"C1C[P+](CC2=C(C(=C(C[P+](CC[P+](CC3=C(C(=C(C[P+]1(C4=CC=CC=C4)C5=CC=CC=C5)C(=C3Cl)Cl)Cl)Cl)(C6=CC=CC=C6)C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9)C(=C2Cl)Cl)Cl)Cl)(C1=CC=CC=C1)C1=CC=CC=C1","IMQIMBKGPPHTDQ-UHFFFAOYSA-N",6333574,NA,"PDBC31220","269184","Present",NA,NA
+"31221","Antineoplastic-301477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-301477",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC","TUEYGBZZQFXBOS-FWBDKTPCSA-N",6711219,NA,"PDBC31221","301477","Present",NA,NA
+"31222","Antineoplastic-31815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-31815",NA,"C1=CC(=C(C=C1[As](=O)(O)O)[N+](=O)[O-])OCCO[N+](=O)[O-].[Na+]","SOGNSNWYWDZDQV-UHFFFAOYSA-N",24183928,NA,"PDBC31222","31815","Present",NA,NA
+"31223","Antineoplastic-328785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-328785",NA,"CC(=NN=C(N(C)C)[Se])C1=CC=CC=N1","YVSNJTUEWUFWSS-SDCOAONHSA-N",54607693,NA,"PDBC31223","328785","Present",NA,NA
+"31224","Antineoplastic-33423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-33423",NA,"COC1=C(C=C(C=C1)[As]=[As]C2=CC(=C(C=C2)OC)NCS(=O)(=O)O)NCS(=O)(=O)O.[Na+]","CHFWROWEVHXBCA-UHFFFAOYSA-N",54605651,NA,"PDBC31224","33423","Present",NA,NA
+"31225","Antineoplastic-353527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-353527",NA,"CCN(CC)CC.CCOC1=CC=C(C=C1)NC(=O)N=C=[N-].C1CC[CH-]CC1.C1CC[CH-]CC1.C1CC[CH-]CC1.[Cl-].[Sn+4]","PGFSDGCUKKYRAQ-UHFFFAOYSA-M",135502336,NA,"PDBC31225","353527","Present",NA,NA
+"31226","Antineoplastic-402867",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-402867",NA,"CC1=C(C=C(C=C1)N)[As]=[As]C2=C(C=CC(=C2)N)C.Cl","STTMRDLBAHAVCB-UHFFFAOYSA-N",24201040,NA,"PDBC31226","402867","Present",NA,NA
+"31227","Antineoplastic-41390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-41390",NA,"C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)[As]=O","JCBAMEPRVWICDX-UHFFFAOYSA-N",237683,NA,"PDBC31227","41390","Present",NA,NA
+"31228","Antineoplastic-615804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-615804",NA,"C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)CCNCCNCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-])[N+](=O)[O-].Cl","NEOHHBPEWKUZMN-UHFFFAOYSA-N",355949,NA,"PDBC31228","615804","Present",NA,NA
+"31229","Antineoplastic-616241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-616241",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)OC(=O)CN","ZCVLTIWFTLQSTM-UHFFFAOYSA-N",44324259,NA,"PDBC31229","616241","Present",NA,NA
+"31230","Antineoplastic-619178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-619178",NA,"C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C(C(C(=O)[O-])[O-])(C(=O)[O-])[O-].[Co+3]","HPXVTOJGSHZXBP-UHFFFAOYSA-L",24202028,NA,"PDBC31230","619178","Present",NA,NA
+"31231","Antineoplastic-623950",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-623950",NA,"C1=CC=C2C(=C1)C=C3C=CC=C4C3=C2C(=O)N(C4=O)CCNCCNCCNCCN5C(=O)C6=CC=CC7=CC8=CC=CC=C8C(=C76)C5=O.Cl","RUQPJRJJFTWJQK-UHFFFAOYSA-N",361120,NA,"PDBC31231","623950","Present",NA,NA
+"31232","Antineoplastic-630680",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-630680",NA,"CC1CC12C(=O)OCC(C(=O)NC(C(=O)N(C3C(SCC(C(=O)N2C)N(C(=O)C(NC(=O)C(COC(=O)C4(CC4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC(C)C)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O","HDMUZLQWDPUHND-UHFFFAOYSA-N",149080,NA,"PDBC31232","630680","Present",NA,NA
+"31233","Antineoplastic-631448",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-631448",NA,"CC1CC(C(=C1)C=C)(C(=O)OC)O","VTWHZNAOMGGMOV-OMNKOJBGSA-N",6711565,NA,"PDBC31233","631448","Present",NA,NA
+"31234","Antineoplastic-641318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-641318",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCCCC(OC(=O)C)OC(=O)C)O.Cl","ARYOZYVUZMGJCZ-XJVHOXIISA-N",24202346,NA,"PDBC31234","641318","Present",NA,NA
+"31235","Antineoplastic-641319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-641319",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCCCCC(OC(=O)C)OC(=O)C)O.Cl","VRIXQRXJYLPDBG-MHRQJLALSA-N",24202347,NA,"PDBC31235","641319","Present",NA,NA
+"31236","Antineoplastic-641320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-641320",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NCCOCC(OC(=O)C)OC(=O)C)O.Cl","NLZCIVLSMNROAW-SUCUNAMKSA-N",24202348,NA,"PDBC31236","641320","Present",NA,NA
+"31237","Antineoplastic-641321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-641321",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N(C)CCOCC(OC(=O)C)OC(=O)C)O.Cl","NCVYBYIVTVIPQB-LJWVDRDGSA-N",24202349,NA,"PDBC31237","641321","Present",NA,NA
+"31238","Antineoplastic-641454",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-641454",NA,"CN(C)CCNC(=O)OC1=C(C=CC(=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC.Cl","CJFQFKRQEHCVFU-CFYXSCKTSA-N",5466704,NA,"PDBC31238","641454","Present",NA,NA
+"31239","Antineoplastic-642198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-642198",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C(CCC(=O)O)N.C(=O)(C(F)(F)F)O","BVHNLAVZJZWVIX-YSMBQZINSA-N",5466745,NA,"PDBC31239","642198","Present",NA,NA
+"31240","Antineoplastic-642294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642294",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC=CC=C6","UILRVLMYVFCLQD-DBGJTOQZSA-N",369927,NA,"PDBC31240","642294","Present",NA,NA
+"31241","Antineoplastic-642313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642313",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)F)OC)OC","FTBPECXVRQVZKY-UHFFFAOYSA-N",369946,NA,"PDBC31241","642313","Present",NA,NA
+"31242","Antineoplastic-642314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642314",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-])OC)OC","CWFCMSGWUJNTEL-UHFFFAOYSA-N",369947,NA,"PDBC31242","642314","Present",NA,NA
+"31243","Antineoplastic-642315",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642315",NA,"CC(=O)OC1=CC=C(C=C1)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC","SGYHIXFRQZKXIO-UHFFFAOYSA-N",369948,NA,"PDBC31243","642315","Present",NA,NA
+"31244","Antineoplastic-642316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642316",NA,"CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC","HSTBDXBIEVMIKQ-UHFFFAOYSA-N",369949,NA,"PDBC31244","642316","Present",NA,NA
+"31245","Antineoplastic-642318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642318",NA,"CCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","JHMLEWBLPQMNBU-UHFFFAOYSA-N",369951,NA,"PDBC31245","642318","Present",NA,NA
+"31246","Antineoplastic-642319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-642319",NA,"CCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","OHTMCPHLARXTIF-UHFFFAOYSA-N",369952,NA,"PDBC31246","642319","Present",NA,NA
+"31247","Antineoplastic-643001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-643001///antineoplastic-645645",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O.N","NYUPFPFTYCWUEZ-YSMBQZINSA-N",5466797,NA,"PDBC31247","643001///645645","Present",NA,NA
+"31248","Antineoplastic-643812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-643812///antineoplastic-645646",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OP(=O)(O)O.[Na+]","HRFFGGIUECGXRH-YSMBQZINSA-N",54598755,NA,"PDBC31248","643812///645646","Present",NA,NA
+"31249","Antineoplastic-645804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-645804",NA,"CN(C)CCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","SJNRPUAPZIOMGM-UHFFFAOYSA-N",371505,NA,"PDBC31249","645804","Present",NA,NA
+"31250","Antineoplastic-645806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-645806",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCN(CCO)CCO.Cl","NKRPYVUCGATPEE-UHFFFAOYSA-N",371507,NA,"PDBC31250","645806","Present",NA,NA
+"31251","Antineoplastic-645807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-645807",NA,"CCN(CC)CCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","LOSSLHWHHZXNCI-UHFFFAOYSA-N",371508,NA,"PDBC31251","645807","Present",NA,NA
+"31252","Antineoplastic-646699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-646699",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C(CCC(=O)O)N.Cl","JGCHTLLCPLBFEH-YSMBQZINSA-N",5466995,NA,"PDBC31252","646699","Present",NA,NA
+"31253","Antineoplastic-647246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-647246",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OC(=O)CC(C(=O)O)N.Cl","VJKRVUFIERGGGG-YSMBQZINSA-N",5467055,NA,"PDBC31253","647246","Present",NA,NA
+"31254","Antineoplastic-648767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648767",NA,"CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3)C#N)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O","OSIBSOLQCODQPC-ZNROEQIVSA-N",372979,NA,"PDBC31254","648767","Present",NA,NA
+"31255","Antineoplastic-648768",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648768",NA,"CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3)O)COC(=O)C8(CS5)C9=C(CCN8)C2C=CC=CC2N9)OCO7)C)OC(=O)C)C(=C1OC)O","OZJIVYDXFPHVOA-MXJSGZPUSA-N",372980,NA,"PDBC31255","648768","Present",NA,NA
+"31256","Antineoplastic-648769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648769",NA,"CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=C(CCN8)C2C=CC=CC2N9)OCO7)C)OC(=O)C)C(=C1OC)O","CICTVGMESIHKMM-PDGAHDFQSA-N",372981,NA,"PDBC31256","648769","Present",NA,NA
+"31257","Antineoplastic-648770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648770",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)Cl)OC)OC","DZYSZHGXUOUTSB-UHFFFAOYSA-N",372982,NA,"PDBC31257","648770","Present",NA,NA
+"31258","Antineoplastic-648771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648771",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC","YLEQOBFRJJEUHL-UHFFFAOYSA-N",372983,NA,"PDBC31258","648771","Present",NA,NA
+"31259","Antineoplastic-648772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648772",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC)OC","TUPBMYHLAAQFKG-UHFFFAOYSA-N",372984,NA,"PDBC31259","648772","Present",NA,NA
+"31260","Antineoplastic-648773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648773",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=C(C=C4)C#N)OC)OC","BJBKMILMAFQOJV-UHFFFAOYSA-N",372985,NA,"PDBC31260","648773","Present",NA,NA
+"31261","Antineoplastic-648776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648776",NA,"COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=CC=C4F)OC)OC","FEGJGLIUPNMDQR-UHFFFAOYSA-N",372988,NA,"PDBC31261","648776","Present",NA,NA
+"31262","Antineoplastic-648778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648778",NA,"COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CC(=O)OC4=CC=C(C=C4)[N+](=O)[O-])OC)OC","VZUKFDZKSHWIIL-UHFFFAOYSA-N",372990,NA,"PDBC31262","648778","Present",NA,NA
+"31263","Antineoplastic-648780",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648780",NA,"COC1=C(C(=C2C(=C1)CC(=C)C3=CC(=O)C(=CC=C32)SC)OC)OC","FUYPJTCITNJHCZ-UHFFFAOYSA-N",372992,NA,"PDBC31263","648780","Present",NA,NA
+"31264","Antineoplastic-648782",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648782",NA,"COC1=C(C(=C2C(=C1)CC(C3=CC(=O)C(=CC=C32)SC)CO)OC)OC","GWQSWLMEYHNEJW-UHFFFAOYSA-N",372994,NA,"PDBC31264","648782","Present",NA,NA
+"31265","Antineoplastic-648783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648783",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC=C(C=C4)[N+](=O)[O-])OC)OC","OFHATWPEJUVRKL-UHFFFAOYSA-N",372995,NA,"PDBC31265","648783","Present",NA,NA
+"31266","Antineoplastic-648784",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648784",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC=C(C=C4)C#N)OC)OC","PEHBKWRZINGKCK-UHFFFAOYSA-N",372996,NA,"PDBC31266","648784","Present",NA,NA
+"31267","Antineoplastic-648785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648785",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC(=CC=C4)[N+](=O)[O-])OC)OC","XOWSULYKKPWVIN-UHFFFAOYSA-N",372997,NA,"PDBC31267","648785","Present",NA,NA
+"31268","Antineoplastic-648786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648786",NA,"COC1=C(C(=C(C=C1)CNC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC)OC","IBYUPDOODPVKHJ-UHFFFAOYSA-N",372998,NA,"PDBC31268","648786","Present",NA,NA
+"31269","Antineoplastic-648787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648787",NA,"COC1=CC(=CC(=C1)CNC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)OC)OC)OC)OC","HFUAORNGBSYNJS-UHFFFAOYSA-N",372999,NA,"PDBC31269","648787","Present",NA,NA
+"31270","Antineoplastic-648788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648788",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC(=CC=C4)C#N)OC)OC","SKBSXMPUTODDQR-UHFFFAOYSA-N",373000,NA,"PDBC31270","648788","Present",NA,NA
+"31271","Antineoplastic-648789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648789",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC=C(C=C4)F)OC)OC","FAAULQKFYXONRY-UHFFFAOYSA-N",373001,NA,"PDBC31271","648789","Present",NA,NA
+"31272","Antineoplastic-648790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-648790",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NCC4=CC=CC=C4[N+](=O)[O-])OC)OC","LQTSLJRIWRBARN-UHFFFAOYSA-N",373002,NA,"PDBC31272","648790","Present",NA,NA
+"31273","Antineoplastic-651195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-651195",NA,"CC1=CC=C(C=C1)C(=O)NC(C2=CC=CC=C2)C(C(=O)OC3CC4(C(C5C(C(CC6C5(CO6)OC(=O)C)O)(C(=O)C(C(=C3C)C4(C)C)OC(=O)C)C)OC(=O)C7=CC=CC=C7)O)O","AEJKKYFZJQTDMD-AHCJXFNUSA-N",6712004,NA,"PDBC31273","651195","Present",NA,NA
+"31274","Antineoplastic-651590",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-651590",NA,"CC(=NO)CCN(C)C.Cl","SLFALUZMOLNHQW-NAFXZHHSSA-N",54604785,NA,"PDBC31274","651590","Present",NA,NA
+"31275","Antineoplastic-651710",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-651710",NA,"CC[N+]1=C(SC2=CC=CC=C21)C=CC3=C4N(C5=CC=CC=C5S4)C(=C3)C(=O)OC.[I-]","XCEYHYKIBZIKSD-UHFFFAOYSA-M",6517506,NA,"PDBC31275","651710","Present",NA,NA
+"31276","Antineoplastic-651744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-651744",NA,"C[N+](C)(CC1=CC=C(C=C1)NC(=O)CCCC(=O)ON2C(=O)CCC2=O)C3=CC=CC=C3.[Br-]","JQZDSTMMIXDYMH-UHFFFAOYSA-N",374245,NA,"PDBC31276","651744","Present",NA,NA
+"31277","Antineoplastic-651782",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-651782",NA,"C1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)N=C3C(=CC(=CCOC(=O)C4=CC=CC=C4)O3)OC(=O)C5=CC=CC=C5","NJJPNPFXKXYMPU-VWONKJOKSA-N",9571783,NA,"PDBC31277","651782","Present",NA,NA
+"31278","Antineoplastic-651913",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-651913",NA,"C1=CC=C(C=C1)C2=NN3C(=C2)N=C4C(=NN(C(=C4C3=N)N)C5=CC=C(C=C5)Cl)C#N","LSENHYJYSLYMBF-UHFFFAOYSA-N",374338,NA,"PDBC31278","651913","Present",NA,NA
+"31279","Antineoplastic-655903",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-655903",NA,"CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC","JUPMJZZCIZTCGB-VWLOTQADSA-N",375756,NA,"PDBC31279","655903","Present",NA,NA
+"31280","Antineoplastic-655904",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-655904",NA,"CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC","NZFFRCIIGLCQFO-KRWDZBQOSA-N",375757,NA,"PDBC31280","655904","Present",NA,NA
+"31281","Antineoplastic-655905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-655905",NA,"CCCCCCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCCCCCC","JUPMJZZCIZTCGB-RUZDIDTESA-N",375758,NA,"PDBC31281","655905","Present",NA,NA
+"31282","Antineoplastic-655906",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-655906",NA,"CCCCCCCC(=O)OCC(C[As](=O)(O)O)OC(=O)CCCCCCC","NZFFRCIIGLCQFO-QGZVFWFLSA-N",375759,NA,"PDBC31282","655906","Present",NA,NA
+"31283","Antineoplastic-656904",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-656904",NA,"CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C(F)(F)F)(OC5)C(=O)OC)O)O)C)O","CURIYFAIROAUOI-YJDLXNETSA-N",376224,NA,"PDBC31283","656904","Present",NA,NA
+"31284","Antineoplastic-672552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-672552",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C6=C(C=C5N=C4C3=C2)OCO6)N)OC(=O)CN","FFQWUYZGOQOZFW-QHCPKHFHSA-N",486156,NA,"PDBC31284","672552","Present",NA,NA
+"31285","Antineoplastic-672553",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-672553",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)OC(=O)CN","QSLKUMQVKFTQSY-QFIPXVFZSA-N",155808492,NA,"PDBC31285","672553","Present",NA,NA
+"31286","Antineoplastic-689577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-689577",NA,"CCC(C)(CC(C)(C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)NC3CC(OC(C3O)C)OC4CC(CC5=C4C(=C6C(=C5O)C(=O)C7=C(C6=O)C(=CC=C7)OC)O)(C(=O)CO)O)C(=O)NCC(C)O","VXUWLQLFUSXTFP-UHFFFAOYSA-N",54608780,NA,"PDBC31286","689577","Present",NA,NA
+"31287","Antineoplastic-690266",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-690266",NA,"CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)C","DJFXWTPYURSOOJ-KSMMMRORSA-N",5469577,NA,"PDBC31287","690266","Present",NA,NA
+"31288","Antineoplastic-690267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-690267",NA,"CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)C","DJFXWTPYURSOOJ-ZVOCJMRISA-N",5469578,NA,"PDBC31288","690267","Present",NA,NA
+"31289","Antineoplastic-690268",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-690268",NA,"CCCC(=O)NC1=CN(C(=C1)C(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)COC","FHSOZQXNDQCQER-LFVRLGFBSA-N",391305,NA,"PDBC31289","690268","Present",NA,NA
+"31290","Antineoplastic-690269",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-690269",NA,"CCCC(=O)NC1=CN(C(=C1)C(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)COC","FHSOZQXNDQCQER-FATZIPQQSA-N",391306,NA,"PDBC31290","690269","Present",NA,NA
+"31291","Antineoplastic-690270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-690270",NA,"CCCC(=O)NC1=CN(C(=N1)C(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)COC","VEXVGFUQFNGZII-WHEQGISXSA-N",391307,NA,"PDBC31291","690270","Present",NA,NA
+"31292","Antineoplastic-690271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-690271",NA,"CCCC(=O)NC1=CN(C(=N1)C(=O)N2CC3CC34C2=CC(=O)C5=C4C(=CN5)C)COC","VEXVGFUQFNGZII-DMZKTXOQSA-N",391308,NA,"PDBC31292","690271","Present",NA,NA
+"31293","Antineoplastic-79529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-79529",NA,"C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)[As](=O)(O)O","SXZDRUAKHGHBOM-UHFFFAOYSA-N",254848,NA,"PDBC31293","79529","Present",NA,NA
+"31294","Antineoplastic-84130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-84130",NA,"C1=CC(=CC=C1N=NC2=C(N=C(NC2=O)N)N)[As](=O)(O)O","AXMUEPLMQDFCMR-UHFFFAOYSA-N",135403639,NA,"PDBC31294","84130","Present",NA,NA
+"31295","Antineoplastic-92893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-92893",NA,"C1=CC=C(C=C1)CNC2=CC=C(C=C2)[As](=O)(O)O","IOPBUKKFRCHKDR-UHFFFAOYSA-N",261033,NA,"PDBC31295","92893","Present",NA,NA
+"31296","Antineoplastic-92904",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-92904",NA,"COC1=CC=CC=C1[As]=[As]C2=CC=CC=C2OC","YOLKXVIMUSPZJK-UHFFFAOYSA-N",261043,NA,"PDBC31296","92904","Present",NA,NA
+"31297","Antineoplastic-92909",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-92909",NA,"C1=CC(=CC=C1NCC(=O)N)[As]=[As]C2=CC=C(C=C2)NCC(=O)N","YCEAIAPPOPKCQR-UHFFFAOYSA-N",261046,NA,"PDBC31297","92909","Present",NA,NA
+"31298","Antineoplastic-92915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-92915",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[As]=[As]C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4","DMJGMSVPSALYGT-UHFFFAOYSA-N",261051,NA,"PDBC31298","92915","Present",NA,NA
+"31299","Antineoplastic-D630679",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-d630679",NA,"CC1CC12C(=O)OCC(C(=O)NC(C(=O)N(C3C(SCC(C(=O)N2C)N(C(=O)C(NC(=O)C(COC(=O)C4(CC4C)N(C3=O)C)NC(=O)C5=NC6=CC=CC=C6C=C5O)C)C)SC)C)C)NC(=O)C7=NC8=CC=CC=C8C=C7O","HBQDLHJADJTNRK-UHFFFAOYSA-N",149075,NA,"PDBC31299","630679","Present",NA,NA
+"31300","Antineoplastic-D640737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azatoxin",NA,"COC1=CC(=CC(=C1O)OC)C2C3=C(CC4N2C(=O)OC4)C5=CC=CC=C5N3","MIXLRUYCYZPSOQ-HSLMYDHPSA-N",369150,NA,"PDBC31300","640737","Present",NA,NA
+"31301","Antineoplastic-D647752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-D647752",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)Cl)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","CFCVIJYLRRCBFF-WCYRVBQBSA-N",6711944,NA,"PDBC31301","647752","Present",NA,NA
+"31302","Antineoplastic-D647753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-D647753",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=C(C=C5)Cl)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","HUSNEEVUDJQTBT-SUMUEXJXSA-N",6711945,NA,"PDBC31302","647753","Present",NA,NA
+"31303","Antineoplastic-D648114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-D648114",NA,"CC1=CC(=CC(=N1)C)C2=C(C=C3C(=C2F)N(C=C4C3=NN(C4=O)C5CCC(CC5)N(C)C)C6CC6)F.CS(=O)(=O)O","JXOGZJFJYDAGNR-UHFFFAOYSA-N",372647,NA,"PDBC31303","648114","Present",NA,NA
+"31304","Antineoplastic-D656598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SF2575",NA,"CC=C(C)C(=O)OC1C(OC(CC1O)C2=C(C3=C(C=C2)C(C4CC5C(C(=O)C(=C(C5(C(=O)C4=C3O)OC)O)C(=O)N)CC(=O)C6=CC=CC=C6O)(C)OC)O)C","BRAHPGVQCXWLHP-QQXYBPILSA-N",54708127,NA,"PDBC31304","656598","Present",NA,NA
+"31305","Antineoplaston A10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619130",NA,"C1CC(=O)NC(=O)C1NC(=O)CC2=CC=CC=C2","OQGRFQCUGLKSAV-JTQLQIEISA-N",56260,NA,"PDBC31305","619130","Present",NA,NA
+"31306","Antineoplaston AS 2-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627997",NA,NA,NA,NA,NA,"PDBC31306","627997","Present",NA,NA
+"31307","Antioxidant 80",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antioxidant 80",NA,"CC1=CC(=C(C(=C1)CC2=C(C(=CC(=C2)C)C(C)(C)C)O)O)CC3=C(C(=CC(=C3)C)C(C)(C)C)O","LKALLEFLBKHPTQ-UHFFFAOYSA-N",66662,NA,"PDBC31307","62914","Present",NA,NA
+"31308","Antipain hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antipain hydrochloride",NA,"CC(C)C(C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C(CCCN=C(N)N)NC(=O)NC(CC1=CC=CC=C1)C(=O)O.Cl","RJRYYNKRPUWLRZ-UHFFFAOYSA-N",24203250,NA,"PDBC31308","727367","Present",NA,NA
+"31309","Antiquorin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antiquorin",NA,"CC1(C2CCC34CC(=C)C(CC3C2(CCC1=O)C)C(C4=O)O)C","UQKJSKXVMBIKGF-ZSWWFFRDSA-N",368996,NA,"PDBC31309","640504","Present",NA,NA
+"31310","Antitumor agent-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PTC-691",NA,"C1=CC2=NC(=C(N2C=C1)C3=CSC(=N3)NC4=CC=C(C=C4)C(F)(F)F)C(F)(F)F","KYPPJHVEENIEGO-UHFFFAOYSA-N",73427118,NA,"PDBC31310","782006","Present",NA,NA
+"31311","Apalutamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARN-509",NA,"CNC(=O)C1=C(C=C(C=C1)N2C(=S)N(C(=O)C23CCC3)C4=CC(=C(N=C4)C#N)C(F)(F)F)F","HJBWBFZLDZWPHF-UHFFFAOYSA-N",24872560,NA,"PDBC31311","771649","Present",NA,NA
+"31312","Apaziquone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-382459",NA,"CN1C(=C(C2=C1C(=O)C=C(C2=O)N3CC3)CO)C=CCO","MXPOCMVWFLDDLZ-NSCUHMNNSA-N",5813717,NA,"PDBC31312","382459","Present",NA,NA
+"31313","Aphidicolin glycinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aphidicoline glycinate",NA,"CC12CCC(C(C1CCC3C24CCC(C(C3)C4)(COC(=O)CN)O)(C)CO)O.Cl","SGPJMFVJKNVPLI-OUHXKYAQSA-N",54599440,NA,"PDBC31313","303812","Present",NA,NA
+"31314","Aphidicolin, 18-acetoxy",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"18-acetoxyaphidicolin",NA,"CC(=O)OCC1(C2CCC3CC4CC3(C2(CCC1O)C)CCC4(CO)O)C","SSEWIUPYEWEJEH-UHFFFAOYSA-N",433926,NA,"PDBC31314","339660","Present",NA,NA
+"31315","Aphidicolin, 6-B-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"APHIDICOLIN, 6-B-HYDROXY-",NA,"CC12CCC(C(C1C(CC3C24CCC(C(C3)C4)(CO)O)O)(C)CO)O","SOPHJADXFALVLH-UHFFFAOYSA-N",433996,NA,"PDBC31315","340292","Present",NA,NA
+"31316","Aphyllinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aphyllinic acid",NA,"C1CCNC(C1)C2CC(C3CCCCN3C2)C(=O)O","VFENFLGNSRQELY-UHFFFAOYSA-N",390689,NA,"PDBC31316","688321","Present",NA,NA
+"31317","Apigenin 7-O-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Apigenin 7-O-",NA,"C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O","JBFOLLJCGUCDQP-UHFFFAOYSA-N",5387370,NA,"PDBC31317","622811","Present",NA,NA
+"31318","Apigenin 7-O-beta-D-glucoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cosmetin",NA,"C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O","KMOUJOKENFFTPU-UHFFFAOYSA-N",5385553,NA,"PDBC31318","407303","Present",NA,NA
+"31319","Apigenin 7-O-methylglucuronide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4CN-2254",NA,"COC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O","XXKIWCKZQFBXIR-UHFFFAOYSA-N",5387369,NA,"PDBC31319","622810","Present",NA,NA
+"31320","Apigenin 7-O-neohesperidoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhoifolin (glycosid)",NA,"CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O","RPMNUQRUHXIGHK-UHFFFAOYSA-N",5459217,NA,"PDBC31320","649413","Present",NA,NA
+"31321","Aplidazole C . TFA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aplidazole C . TFA",NA,"COC1=C(C=CC(=C1)C2(C(CSSS2)O)C3=NC=CN3)O.C(=O)(C(F)(F)F)O","JRDCMJQWKVTZAB-UHFFFAOYSA-N",362402,NA,"PDBC31321","626167","Present",NA,NA
+"31322","Aplyronine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aplyronine A",NA,"CC1CCC(C(=CCC(CC(C=CCC(OC(=O)C=CC=CCC(C(C1O)C)OC(=O)C(COC)N(C)C)C(C)C(C(C)CCC(C(C)C(C(C)C=CN(C)C=O)OC(=O)C)OC(=O)C(C)N(C)C)O)OC)C)C)OC","JMXMEKJLQWJRHY-PNRJZHGSSA-N",10351178,NA,"PDBC31322","687160","Present",NA,NA
+"31323","Aplysamine 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aplysamine-2",NA,"CN(C)CCCOC1=C(C=C(C=C1Br)CCNC(=O)C(=NO)CC2=CC(=C(C=C2)OC)Br)Br","RCOAHKXJTMBQLI-RRAHZORUSA-N",6411696,NA,"PDBC31323","625526","Present",NA,NA
+"31324","Aplysin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aplysin",NA,"CC1CCC2(C1(OC3=C2C=C(C(=C3)C)Br)C)C","AZMIIVUEOLBHBL-UHFFFAOYSA-N",99997,NA,"PDBC31324","305227","Present",NA,NA
+"31325","Aplysinamisine II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aplysinamisine II",NA,"COC1=C(C(C2(CC(=NO2)C(=O)NCCCCCN=C(N)N)C=C1Br)O)Br","GCYSDIFCRYTRFB-XJKSGUPXSA-N",6712295,NA,"PDBC31325","666271","Present",NA,NA
+"31326","Aplysinamisine III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aplysinamisine III",NA,"CC(=O)NCC(C1=CC(=C(C(=C1)Br)OCCCNC(=O)C2=NOC3(C2)C=C(C(=C(C3O)Br)OC)Br)Br)O","WGLJDQYUOYCSPY-GCXSUNMLSA-N",6712296,NA,"PDBC31326","666272","Present",NA,NA
+"31327","Aplysistatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aplysistatin",NA,"CC1(C(CCC2(C1CC=C3C(O2)COC3=O)C)Br)C","BEMNKPXNGWTBLQ-UHFFFAOYSA-N",320370,NA,"PDBC31327","267711","Present",NA,NA
+"31328","Apocannoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Apocannoside",NA,NA,NA,NA,NA,"PDBC31328","83216","Present",NA,NA
+"31329","Apogossypol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Racemic Apogossypol, stabilized with  ascorbic acid",NA,"CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C(C)C)O)O)O)O)O)O)C(C)C","PBJKWGWHZVXBGU-UHFFFAOYSA-N",454878,NA,"PDBC31329","736630","Present",NA,NA
+"31330","Aponucinecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aponucinecarboxylic acid",NA,"C1CN2CC3=CCOC4CC(=O)NC5C4C3CC2C51C(=O)O","VDTLYVMJJHDZCX-UHFFFAOYSA-N",280187,NA,"PDBC31330","131614","Present",NA,NA
+"31331","Apotransferrin complexed w/ (ImH)trans-[(Im)2Cl4RuIII], ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Apotransferrin complexed w/ (ImH)trans-[(Im)2Cl4RuIII], ...",NA,NA,NA,NA,NA,"PDBC31331","719241","Present",NA,NA
+"31332","Apotransferrin complexed w/ cis-[Cl2(NH3)4RuIII]Cl, MW=2...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Apotransferrin complexed w/ cis-[Cl2(NH3)4RuIII]Cl, MW=2...",NA,NA,NA,NA,NA,"PDBC31332","719240","Present",NA,NA
+"31333","Aquabis(acetato)(1,3-dionato) neodymium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aquabis(acetato)(1,3-diphenylpropane-1,3-dionato) neodym...",NA,"CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[Nd+3]","VLJPIVXOLHCRNZ-UHFFFAOYSA-M",24202400,NA,"PDBC31333","647051","Present",NA,NA
+"31334","Aquahydroxobis(1,3-dionato)lanthane(III) hemihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aquahydroxobis(1,3-diphenylpropane-1,3-dionato)lanthane(...",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[OH-].[La+3]","SYYNCBAEFXNFKA-UHFFFAOYSA-N",24202399,NA,"PDBC31334","647048","Present",NA,NA
+"31335","Aquahydroxobis(1,3-dionato)neodymium(III)-hemihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aquahydroxobis(1,3-diphenylpropane-1,3-dionato)neodymium...",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[OH-].[Nd+3]","QLFPWQGIPLOPHW-UHFFFAOYSA-N",24202397,NA,"PDBC31335","647042","Present",NA,NA
+"31336","Aquahydroxobis(1-phenylbutane-1,3-dionato)-europium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aquahydroxobis(1-phenylbutane-1,3-dionato)- europium(III)",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[OH3+].[OH-].[Eu+3]","UPYPFYNORMASJY-UHFFFAOYSA-N",24202246,NA,"PDBC31336","634042","Present",NA,NA
+"31337","Aquahydroxobis(1-phenylbutane-1,3-dionato)neodymium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aquahydroxobis(1-phenylbutane-1,3-dionato)neodymium(III)",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[OH3+].[OH-].[Nd+3]","SXKCPPMCVHZPJI-UHFFFAOYSA-N",24202205,NA,"PDBC31337","632727","Present",NA,NA
+"31338","Aquatris(1,3-dionato)neodymium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aquatris(1,3-diphenylpropane-1,3-dionato)neodymium(III)",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[Nd+3]","YQAOZIYOSNSVFM-UHFFFAOYSA-O",24202395,NA,"PDBC31338","647040","Present",NA,NA
+"31339","Aquatris(1,3-dionato)yttrium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aquatris(1,3-diphenylpropane-1,3-dionato)yttrium(III)",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[OH3+].[Y+3]","YGURBMLEMLQVPW-UHFFFAOYSA-O",24202396,NA,"PDBC31339","647041","Present",NA,NA
+"31340","Aquatris(1-phenylbutane-1,3-dionato)neodymium(III)-hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aquatris(1-phenylbutane-1,3-dionato)neodymium(III)-hydrate",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[OH3+].[Nd+3]","HIWNTIWHIQIEIV-UHFFFAOYSA-O",24202394,NA,"PDBC31340","647038","Present",NA,NA
+"31341","Aquayamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aquayamycin",NA,"CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=CC5(C4(C(=O)CC(C5)(C)O)O)O)O)O)O","KCOULPRVOZDQEL-UHFFFAOYSA-N",302071,NA,"PDBC31341","184398","Present",NA,NA
+"31342","Aqueous solution of Antineoplaston A10 (NSC 377381)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648539",NA,"C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O.C1=CC=C(C=C1)CC(=O)NC(=O)CCC(C(=O)O)N","BZDWFMIIEXWDDT-UHFFFAOYSA-N",372847,NA,"PDBC31342","648539","Present",NA,NA
+"31343","Aquo(3-hydroxy-2-formylpyridine)cobalt(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aquo(3-hydroxy-2-formylpyridine)cobalt(II)",NA,"C1=CC=C(C=C1)N=CC2=C(C=CC=N2)[O-].[OH3+].[Co]","YTSRNBIARNSWRN-UHFFFAOYSA-N",24202174,NA,"PDBC31343","631455","Present",NA,NA
+"31344","Ara AMP disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARA-AMP",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N.[Na+]","FYWLYWMEGHCZAX-UHFFFAOYSA-N",23443702,NA,"PDBC31344","259272","Present",NA,NA
+"31345","Arabinofuranosyluracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"uridin///arauridine",NA,"C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","DRTQHJPVMGBUCF-UHFFFAOYSA-N",1177,NA,"PDBC31345","20256///68928","Present",NA,NA
+"31346","Aracytidine 5'-O-phenylphosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aracytidine 5'-O-phenylphosphate",NA,"C1=CC=C(C=C1)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O","FQZYOGSMSNNTQL-UHFFFAOYSA-N",278572,NA,"PDBC31346","128280","Present",NA,NA
+"31347","Ararobinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ararobinol",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C)C=CC=C3O","IXXWTERKUADIKZ-UHFFFAOYSA-N",438692,NA,"PDBC31347","658573","Present",NA,NA
+"31348","Arborescidine D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arborescidine D",NA,"CN1CCC2=C3C1CCCC(N3C4=C2C=CC(=C4)Br)O","SEKCREXSGCGPFK-AWKYBWMHSA-N",378619,NA,"PDBC31348","661412","Present",NA,NA
+"31349","Ardisin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ardisin",NA,"CCCCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)O)CC2=C(C(=O)C(=C(C2=O)O)CCCCCCCCCCCCC)O)O","UJRBGYWAIIVDNE-UHFFFAOYSA-N",417291,NA,"PDBC31349","88927","Present",NA,NA
+"31350","Argemonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-methylpavin///Argemonine",NA,"CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC","QEOWCPFWLCIQSL-UHFFFAOYSA-N",98569,NA,"PDBC31350","148823///645246","Present",NA,NA
+"31351","Argenteanone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Argenteanone A",NA,"CC(=CC1C(C(C(O1)O)C2CCC3(C2(CCC45C3CCC6C4(C5)CCC(=O)C6(C)C)C)C)O)C","JSBYUFYDGNUXMX-ILUCISOKSA-N",391874,NA,"PDBC31351","691538","Present",NA,NA
+"31352","Argentinic acid D, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Argentinic acid D, methyl ester",NA,"CCC(C)C(C(=O)OC1CC2(C(CC=C2C3(C1C(C(CC3OC(=O)C(C(=CC)C)O)C(C)(C)O)(C)CCC(=O)OC)C)C4CC(OC4)C=C(C)C)C)O","AYIIDASEHCSCIW-QXWMOUNQSA-N",5471744,NA,"PDBC31352","713585","Present",NA,NA
+"31353","Argopsin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Argopsin",NA,"CC1=C2C(=C(C(=C1Cl)O)C=O)OC3=C(C(=C(C(=C3OC2=O)C)OC)Cl)C","SNNDIPJEAQAKTJ-UHFFFAOYSA-N",162698,NA,"PDBC31353","646009","Present",NA,NA
+"31354","Argylioside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Argylioside",NA,"CC1CCC2C1C(OC=C2C(=O)OC3C4C=COC(C4C5(C3O5)CO)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O","XYQGKOSSVPHSBW-BCOIZJBGSA-N",378230,NA,"PDBC31354","660033","Present",NA,NA
+"31355","Aristolochic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC11926///NSC50413",NA,"COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O","BBFQZRXNYIEMAW-UHFFFAOYSA-N",2236,NA,"PDBC31355","11926///50413","Present",NA,NA
+"31356","Aristololactam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aristololactam",NA,"COC1=CC=CC2=C3C4=C(C=C21)NC(=O)C4=CC5=C3OCO5","MXOKGWUJNGEKBH-UHFFFAOYSA-N",96710,NA,"PDBC31356","87406","Present",NA,NA
+"31357","Aristona",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aristona",NA,"CC1(C2CC3C4N1C5C6=CC=CC=C6NC5(C4)C3(CC2=O)C)C","PWDJTEKEZQUXQT-MDMVBLKFSA-N",5468786,NA,"PDBC31357","676306","Present",NA,NA
+"31358","Aristotelinona",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aristotelinona",NA,"CC1(C2CCC3(C(C2)C(N1)C(=O)C4=C3NC5=CC=CC=C54)C)C","AHJPJJQWNMIKFL-YWOOCOOBSA-N",385193,NA,"PDBC31358","676308","Present",NA,NA
+"31359","Arsacetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arsacetin",NA,"CC(=O)NC1=CC=C(C=C1)[As](=O)(O)O","LTGKKKITNWDUCD-UHFFFAOYSA-N",95019,NA,"PDBC31359","13773","Present",NA,NA
+"31360","Arsanilic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arsanilic Acid",NA,"C1=CC(=CC=C1N)[As](=O)(O)O","XKNKHVGWJDPIRJ-UHFFFAOYSA-N",7389,NA,"PDBC31360","2023","Present",NA,NA
+"31361","Arsenic trioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706363///NSC92859",NA,NA,NA,NA,NA,"PDBC31361","706363///92859","Present",NA,NA
+"31362","Arsenobenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arsenobenzene",NA,"C1=CC=C(C=C1)[As]=[As]C2=CC=CC=C2","AWYSLGMLVOSVIS-UHFFFAOYSA-N",78277,NA,"PDBC31362","41373","Present",NA,NA
+"31363","Arteannuin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"qinghaosu",NA,"CC1CCC2C(C(=O)OC3C24C1CCC(O3)(OO4)C)C","BLUAFEHZUWYNDE-UHFFFAOYSA-N",2240,NA,"PDBC31363","369397","Present",NA,NA
+"31364","Arteanuine B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arteanuine B",NA,"CC1CCC2C(=C)C(=O)OC23C1CCC4(C3O4)C","QWQSMEDUZQDVLA-DYGVALONSA-N",399753,NA,"PDBC31364","710847","Present",NA,NA
+"31365","Arteether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arteether",NA,"CCOC1C(C2CCC(C3C24C(O1)OC(CC3)(OO4)C)C)C","NLYNIRQVMRLPIQ-XGNZRAKFSA-N",6712287,NA,"PDBC31365","665971","Present",NA,NA
+"31366","Artelasticin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artelasticin",NA,"CC(=CCC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)CC=C(C)C)O)C","UEEBMAIKXXZTAU-UHFFFAOYSA-N",5471311,NA,"PDBC31366","710342","Present",NA,NA
+"31367","Artelastin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artelastin",NA,"CC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)CC=C(C)C)O)C","TVPZDSSZKMMCLB-UHFFFAOYSA-N",399488,NA,"PDBC31367","710340","Present",NA,NA
+"31368","Artelastochromene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artelastochromene",NA,"CC(=CCC1=C2C(=C(C3=C1OC4=C(C3=O)C(OC5=C4C=CC(=C5)O)C=C(C)C)O)C=CC(O2)(C)C)C","NECAWZYXMSKYRB-UHFFFAOYSA-N",5471310,NA,"PDBC31368","710341","Present",NA,NA
+"31369","Artemether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artemether",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC)C","SXYIRMFQILZOAM-GQEXLTNXSA-N",6712286,NA,"PDBC31369","665970","Present",NA,NA
+"31370","Artemisetene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artemisetene",NA,"CC1CCC2C(=C)C(=O)OC3C24C1CCC(O3)(OO4)C","IGEBZMMCKFUABB-LTTCQABISA-N",361042,NA,"PDBC31370","623785","Present",NA,NA
+"31371","Artemisinin dimer hemisuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artemisinin Dimer",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OCC(COC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)OC(=O)CCC(=O)O)C","CECFVUQUCXYIPF-BKNYPEQFSA-N",54608484,NA,"PDBC31371","724910","Present",NA,NA
+"31372","Artepillin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artepillin C",NA,"CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C=CC(=O)O)C","KABCFARPAMSXCC-JXMROGBWSA-N",5472440,NA,"PDBC31372","718732","Present",NA,NA
+"31373","Arthrobacilin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arthrobacilin A",NA,"CCCCCCCCCC1CC(=O)OCC2C(C(C(C(O2)OC(CC(=O)OCC3C(C(C(C(O3)OC(CC(=O)OCC4C(C(C(C(O1)O4)O)O)O)CCCCCCCCC)O)O)O)CCCCCCCCC)O)O)O","ZSOILIACAWNDPB-YKWKOPHWSA-N",6711993,NA,"PDBC31373","650719","Present",NA,NA
+"31374","Arthropsolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arthropsolide A",NA,"CC=CC1C=CC(=O)C(C12C(C(=C)OC2=O)O)O","ROOGVCKSAVTPSZ-KMSURZFUSA-N",5467970,NA,"PDBC31374","661230","Present",NA,NA
+"31375","Artocarpesin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artocarpesin",NA,"CC(=CCC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)C","YWUVFGZTDLJVCR-UHFFFAOYSA-N",399491,NA,"PDBC31375","710343","Present",NA,NA
+"31376","Artocarpetin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artocarpetin A",NA,"CC(=CCC1=C(C=C(C2=C1OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)OC)C","RZVNDYZVNDJBPR-UHFFFAOYSA-N",390520,NA,"PDBC31376","687961","Present",NA,NA
+"31377","Artocarpin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARTOCARPIN",NA,"CC(C)C=CC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)OC","KRGDFVQWQJIMEK-RMKNXTFCSA-N",5458461,NA,"PDBC31377","241010","Present",NA,NA
+"31378","Artocarpin derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artocarpin derivative",NA,"CC(C)C=CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC(CC3)(C)C)OC","BYSBNEYAFYNBMQ-SOFGYWHQSA-N",6164928,NA,"PDBC31378","293073","Present",NA,NA
+"31379","Arylidene-4-chloro",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"arylidene-4-chloro",NA,"C1CC2=C(C=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","RPOYMOIGJVKJII-GXDHUFHOSA-N",24202977,NA,"PDBC31379","726423","Present",NA,NA
+"31380","Arylmethylene thiazolo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arylmethylene thiazolo",NA,"CC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)N=C6N2C(=O)C(=CC7=CC=C(C=C7)Br)S6","JAOFGYIHLRLOEM-OVVQPSECSA-N",5473239,NA,"PDBC31380","724619","Present",NA,NA
+"31381","Arylmethylene-Br",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arylmethylene-Br",NA,"C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(N5C(=O)C(=CC6=CC=C(C=C6)Br)SC5=N4)C7=CC=C(C=C7)Br","YRMPDSAQBWTFKB-YZSQISJMSA-N",5473237,NA,"PDBC31381","724613","Present",NA,NA
+"31382","Arylmethylene-Cl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arylmethylene-Cl",NA,"C1COC2=C(C=CC3=CC=CC=C32)C(=O)C1=CC4=CC=C(C=C4)Cl","OLGAMZBKDOAKER-SSZFMOIBSA-N",5473170,NA,"PDBC31382","724321","Present",NA,NA
+"31383","Arylpurine analogues",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arylpurine analogues",NA,"C1=CC(=CC(=C1)CCl)CN2C=NC3=C2C(=NC(=N3)Cl)Cl","SMTGTLMLUZLZRX-UHFFFAOYSA-N",24205045,NA,"PDBC31383","734077","Present",NA,NA
+"31384","Arylquin-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-fluorophenyl)-N7,N7-dimethylquinoline-2,7-diamine",NA,"CN(C)C1=CC2=NC(=C(C=C2C=C1)C3=CC=CC=C3F)N","RHAQINSYYSNKKI-UHFFFAOYSA-N",77014275,NA,"PDBC31384","783765","Present",NA,NA
+"31385","Arylsulfonamide 64B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763841",NA,"CC1(C=CC2=C(O1)C=CC(=N2)CN(C3CCC3)S(=O)(=O)C4=CC(=C(C=C4)OC)OC)C","CQGIUFASDNXPRB-UHFFFAOYSA-N",54575622,NA,"PDBC31385","763841","Present",NA,NA
+"31386","Arypurine derivatives",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"arypurine derivatives",NA,"C1=CC=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)Cl)CCl","CTVXHVIQINYLSY-UHFFFAOYSA-N",16220246,NA,"PDBC31386","733891","Present",NA,NA
+"31387","Asaley",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asaley",NA,"CCOC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C","GBPZYMBDOBODNK-UHFFFAOYSA-N",424723,NA,"PDBC31387","167780","Present",NA,NA
+"31388","Asatone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASATONE",NA,"COC1=CC2(C(C3C(=CC2(C(=O)C3(OC)OC)OC)CC=C)C(C1=O)(OC)OC)CC=C","XBKKBTPYPCCCKA-UHFFFAOYSA-N",431129,NA,"PDBC31388","289486","Present",NA,NA
+"31389","Asbestinin 13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asbestinin 13",NA,"CCCCCCCC(=O)OC1CC(C(=C)CC2C3C4C(CC(C3OC(=O)C)C)C(COC1(C4O2)C)C)O","ZVORBLAOXAGZMU-MMWYIHFJSA-N",387398,NA,"PDBC31389","681148","Present",NA,NA
+"31390","Asbestinin 16",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asbestinin 16",NA,"CCCCCCCC(=O)OC1CC(=O)C(=C)CC2C3C4C(CC(C3OC(=O)C)C)C(COC1(C4O2)C)C","CKFXZRZXTINEAA-FZMNOEQZSA-N",387399,NA,"PDBC31390","681149","Present",NA,NA
+"31391","Asbestinin 17",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asbestinin 17",NA,"CC1CC2C(COC3(C(CC(C(=C)CC4C(C2C3O4)C1OC(=O)C)O)OC(=O)C)C)C","LTOPWTJCEOWJJY-WPPOMFQISA-N",387400,NA,"PDBC31391","681150","Present",NA,NA
+"31392","Asbestinin-25",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asbestinin-25",NA,"CC1CC2C(COC3(CCC(C(CC4C(C2C3O4)C1OC(=O)C)(C)O)OC)C)C","SHHCCZSDXWGINH-VPDVHZRNSA-N",16099443,NA,"PDBC31392","737079","Present",NA,NA
+"31393","Asbestinin-D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asbestinin-D",NA,"CC1CC2C(COC3(CCC=C(CC4C(C2C3O4)C1OC(=O)C)C)C)C","MDSDQZGJBVBIFN-VHCDHQDOSA-N",5388710,NA,"PDBC31393","638207","Present",NA,NA
+"31394","Asc-JM-17",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(cyclobutylmethyl)-1,7-bis(3,4-dimethoxyphenyl)-(1E,6E...",NA,"COC1=C(C=C(C=C1)C=CC(=O)C(CC2CCC2)C(=O)C=CC3=CC(=C(C=C3)OC)OC)OC","PJOSHEDKRPRCAE-QHKWOANTSA-N",25183127,NA,"PDBC31394","795026","Present",NA,NA
+"31395","Ascididemin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one",NA,"C1=CC=C2C(=C1)C3=C4C(=NC=C3)C5=C(C=CC=N5)C(=O)C4=N2","BTAIBIXHXSXUFN-UHFFFAOYSA-N",189219,NA,"PDBC31395","675670","Present",NA,NA
+"31396","Asciminib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABL-001",NA,"C1CN(CC1O)C2=C(C=C(C=N2)C(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C4=CC=NN4","VOVZXURTCKPRDQ-CQSZACIVSA-N",72165228,NA,"PDBC31396","789925","Present",NA,NA
+"31397","Ascochitine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ascochitine",NA,"CCC(C)C1=C(C2=CC(=O)C(=C(C2=CO1)O)C(=O)O)C","DZBCEUTUWOWUDY-ZETCQYMHSA-N",73486,NA,"PDBC31397","114344","Present",NA,NA
+"31398","Ascorbigen A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ascorbigen A",NA,"C1C(C2C(O1)(C(C(=O)O2)(CC3=CNC4=CC=CC=C43)O)O)O","OMSJCIOTCFHSIT-UHFFFAOYSA-N",358022,NA,"PDBC31398","617744","Present",NA,NA
+"31399","Ascorbigen B, 2:1 mixture with O-alkylated product",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ascorbigen B, 2:1 mixture with O-alkylated product",NA,"C1C(C2C(O1)(C(C(=O)O2)O)OCC3=CNC4=CC=CC=C43)O.C1C(C2C(O1)(C(C(=O)O2)(CC3=CNC4=CC=CC=C43)O)O)O","WZJNESLZEVVHPY-UHFFFAOYSA-N",358023,NA,"PDBC31399","617745","Present",NA,NA
+"31400","Asiaticoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asiaticoside",NA,"CC1CC(C2CCC3(C4CCC5C(C4(CC=C3C2C1C)C)(CC(C(C5(C)CO)O)O)C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O","HNOOIFXGTSPBIW-UHFFFAOYSA-N",411808,NA,"PDBC31400","36002","Present",NA,NA
+"31401","Asimicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asimicin",NA,"CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O","MBABCNBNDNGODA-XRLPKKPGSA-N",6711271,NA,"PDBC31401","609700","Present",NA,NA
+"31402","Asimicinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asimicinone",NA,"CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC3CC(C(=O)O3)CC(=O)C)O)O","KGGVWMAPBXIMEM-YKUMBOSTSA-N",393461,NA,"PDBC31402","695394","Present",NA,NA
+"31403","Asn-Gln-Trp-Ala-(Sme)-Pen-Gly-His-Leu-Met-NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asn-Gln-Trp-Ala-(Sme)-Pen-Gly-His-Leu-Met-NH2",NA,"CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)(C)SC)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N","XUHWYLUKONBVMW-GAFJYDGPSA-N",6711365,NA,"PDBC31403","623553","Present",NA,NA
+"31404","Asn-Gln-Trp-Ala-DTC-Gly-His-Leu-Met-NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asn-Gln-Trp-Ala-DTC-Gly-His-Leu-Met-NH2",NA,"CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C2C(SCN2C(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N)(C)C","OVFGWUYSSOOKAG-UKIWQYHDSA-N",54612519,NA,"PDBC31404","623552","Present",NA,NA
+"31405","Asn-Gln-Trp-Ala-Val-Gly-(D)Phe-Leu-Met-NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asn-Gln-Trp-Ala-Val-Gly-(D)Phe-Leu-Met-NH2",NA,"CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N","ACHZHXZVVIHDLU-HWVXLSRNSA-N",6711308,NA,"PDBC31405","617347","Present",NA,NA
+"31406","Asparaginase",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC109229",NA,NA,NA,NA,NA,"PDBC31406","109229","Present",NA,NA
+"31407","Asperdiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asperdiol",NA,"CC1=CCCC2(C(O2)CCC(=CC(C(CC1)C(=C)C)O)CO)C","FLJAFHRJXPAASR-HOZOIBKHSA-N",5358793,NA,"PDBC31407","279559","Present",NA,NA
+"31408","Asperfuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asperfuran",NA,"CC=CC=CC1CC2=C(O1)C(=CC(=C2)O)O","WTFIFQXTQCYJKU-JWVODRKRSA-N",11969970,NA,"PDBC31408","645021","Present",NA,NA
+"31409","Aspergillic acid, dehydrodeoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aspergillic acid, dehydrodeoxy-",NA,"CC=C(C)C1=CN=C(C(=O)N1)CC(C)C","CPEXOOKUZLOULG-UITAMQMPSA-N",54600217,NA,"PDBC31409","127444","Present",NA,NA
+"31410","Aspergillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aspergillin",NA,"CN1C(=O)C23CC4=CC=CC(C4N2C(=O)C1(SS3)CO)O","FIVPIPIDMRVLAY-UHFFFAOYSA-N",3477,NA,"PDBC31410","102866","Present",NA,NA
+"31411","Asperilin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asperilin",NA,"CC12CC3C(CC1C(=C)CCC2O)C(=C)C(=O)O3","GAUPAOVCTWBVKC-WPLOAARJSA-N",257274,NA,"PDBC31411","85238","Present",NA,NA
+"31412","Asperphenin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asperphenin A",NA,"CCCCCCCCC(CC(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CC(=O)C1=C(C(=CC(=C1)C)O)C(=O)C2=C(C=CC=C2O)O)O","HZWVBHXYQZVQTA-KFADFNFCSA-N",155807791,NA,"PDBC31412","802913","Present",NA,NA
+"31413","Aspiculamycin hcl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aspiculamycin hcl",NA,"CNCC(=O)NC(CO)C(=O)NC(CO)C(=O)NC1C(C(C(OC1C(=O)N)N2C=CC(=NC2=O)N)O)O.Cl","AQNCGSPMFHBRMY-UHFFFAOYSA-N",54600418,NA,"PDBC31413","200692","Present",NA,NA
+"31414","Aspidospermine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aspidospermin",NA,"CCC12CCCN3C1C4(CC3)C(CC2)N(C5=C4C=CC=C5OC)C(=O)C","ARQOGCYMPUOVHK-ZHHKINOHSA-N",227613,NA,"PDBC31414","61811","Present",NA,NA
+"31415","Asterridinone (ARD)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asterridinone (ARD)",NA,"CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C4C(=C(C(=O)O4)C5=CN(C6=CC=CC=C65)C(C)(C)C=C)OC3=O","IRJGMAFRZLADJC-UHFFFAOYSA-N",385440,NA,"PDBC31415","676675","Present",NA,NA
+"31416","Asterriquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asterriquinone",NA,"CC(C)(C=C)N1C=C(C2=CC=CC=C21)C3=C(C(=O)C(=C(C3=O)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C)O","KMHWTYMNRHJTQG-UHFFFAOYSA-N",100329,NA,"PDBC31416","289487","Present",NA,NA
+"31417","Astex FGF inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Astex FGF inhibitor",NA,"C1=CC(=CC(=C1)NC(=O)NCC(F)(F)F)C2=CN=C3N2C=CC(=C3)C4=CC=C(C=C4)F","BCAIAJFLSCRMPZ-UHFFFAOYSA-N",56589626,NA,"PDBC31417","754361","Present",NA,NA
+"31418","Astrafloksin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"astraphloxin",NA,"CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=CC=CC=C4N3C)(C)C)C)C.[Cl-]","QCGOYKXFFGQDFY-UHFFFAOYSA-M",6540442,NA,"PDBC31418","31780","Present",NA,NA
+"31419","Astragaloside II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Astragaloside II",NA,"CC(=O)OC1C(C(COC1OC2CCC34C(C2(C)C)C(CC5C3(O4)CCC6(C5(CC(C6C7(CCC(O7)C(C)(C)O)C)O)C)C)OC8C(C(C(C(O8)CO)O)O)O)O)O","FPMKTOHSPZKRET-ZTXGWKAVSA-N",369514,NA,"PDBC31419","641295","Present",NA,NA
+"31420","Astrazon Pink FG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"genacryl pink g",NA,"CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)CCCl)C)C.[Cl-]","ZTBANYZVKCGOKD-UHFFFAOYSA-M",6433371,NA,"PDBC31420","4432","Present",NA,NA
+"31421","Atamparib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RBN-2397",NA,"CC(COCCC(=O)N1CCN(CC1)C2=NC=C(C=N2)C(F)(F)F)NC3=C(C(=O)NN=C3)C(F)(F)F","UQZCQKXJAXKZQH-LBPRGKRZSA-N",146047148,NA,"PDBC31421","825956","Present",NA,NA
+"31422","Atengenal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC377381",NA,"C1CC(=O)NC(=O)C1NC(=O)CC2=CC=CC=C2","OQGRFQCUGLKSAV-SNVBAGLBSA-N",6711242,NA,"PDBC31422","377381","Present",NA,NA
+"31423","Atisinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Atisinium chloride",NA,"CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C=[N+](C2)CCO","RXGJFLXLQIECAN-UHFFFAOYSA-N",408707,NA,"PDBC31423","296347","Present",NA,NA
+"31424","Atorvastatin Dehydro Lactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[(2S)-3,6-Dihydro-6-oxo-2H-pyran-2yl]-ethyl]-5-(4-f...",NA,"CC(C)C1=C(C(=C(N1CCC2CC=CC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC=C4)C(=O)NC5=CC=CC=C5","GYIXAUAZYJKKST-MHZLTWQESA-N",10186417,NA,"PDBC31424","800382","Present",NA,NA
+"31425","Atorvastatin(1-)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H004",NA,"CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4","XUKUURHRXDUEBC-KAYWLYCHSA-M",17589822,NA,"PDBC31425","779709","Present",NA,NA
+"31426","Atuveciclib Racemate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1143572",NA,"COC1=C(C=CC(=C1)F)C2=NC(=NC=N2)NC3=CC=CC(=C3)CS(=N)(=O)C","ACWKGTGIJRCOOM-UHFFFAOYSA-N",71618220,NA,"PDBC31426","786098","Present",NA,NA
+"31427","Augustine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"augustine",NA,"COC1CC2C3(CCN2CC4=CC5=C(C=C43)OCO5)C6C1O6","QLRRUWXMMVXORS-NRKLIOEPSA-N",157561,NA,"PDBC31427","709251","Present",NA,NA
+"31428","Auramine O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC4045///NSC93737",NA,"CN(C)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(C)C.Cl","KSCQDDRPFHTIRL-UHFFFAOYSA-N",17170,NA,"PDBC31428","4045///93737","Present",NA,NA
+"31429","Auranofin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"auranofin///NSC826942",NA,"CC[PH+](CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au+]","AUJRCFUBUPVWSZ-UHFFFAOYSA-N",6333901,NA,"PDBC31429","321521///826942","Present",NA,NA
+"31430","Aurantiacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aurantiacin",NA,"C1=CC=C(C=C1)C(=O)OC2=C(C(=O)C(=C(C2=O)C3=CC=C(C=C3)O)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)O","UFFCRNVIKXMYLJ-UHFFFAOYSA-N",261132,NA,"PDBC31430","93050","Present",NA,NA
+"31431","Aurantimycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aurantimycin A",NA,"CC1C(CCC(O1)(C(C)(C(=O)NC2C(OC(=O)C(N(C(=O)C3CCCNN3C(=O)CNC(=O)C(N(C(=O)C4CCCNN4C2=O)O)COC)O)C)C(C)C)O)O)CC(C)C","JSVPJXYQXDNLRD-NSCUIBACSA-N",10102093,NA,"PDBC31431","777195","Present",NA,NA
+"31432","Aurantimycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aurantimycin B",NA,"CC1C(CCC(O1)(C(C)(C(=O)NC2C(OC(=O)C(N(C(=O)C3CCC=NN3C(=O)CNC(=O)C(N(C(=O)C4CCCNN4C2=O)O)COC)O)C)C(C)C)O)O)CC(C)C","HLRDKYXEOKTOGL-WNXSUJFDSA-N",387979,NA,"PDBC31432","682345","Present",NA,NA
+"31433","Aurigene Cpm 16",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aurigene Cpm 16",NA,"CC(C(C(=O)O)NC(=O)NC(CC(=O)N)C1=NC(=NO1)N2CCNCC2)O","RKAIKBRLPZSBRN-CFGJQEBVSA-N",122541438,NA,"PDBC31433","803790","Present",NA,NA
+"31434","Aurin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aurin",NA,"C1=CC(=O)C=CC1=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O","FYEHYMARPSSOBO-UHFFFAOYSA-N",5100,NA,"PDBC31434","7805","Present",NA,NA
+"31435","Aurintricarboxylic Acid ammonium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aurintricarboxylic Acid ammonium salt",NA,NA,NA,NA,NA,"PDBC31435","625770","Present",NA,NA
+"31436","Auristatin PE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Auristatin PE",NA,"CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NCCC2=CC=CC=C2)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C","DZMVCVHATYROOS-CKXIHPEFSA-N",375252,NA,"PDBC31436","654663","Present",NA,NA
+"31437","Auromomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Auromomycin",NA,NA,NA,NA,NA,"PDBC31437","170105","Present",NA,NA
+"31438","Austidiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Austdiol",NA,"CC1=CC2=C(C(=O)C(C(C2=CO1)O)(C)O)C=O","QVMUHZHZYCDMAI-RYUDHWBXSA-N",40604,NA,"PDBC31438","159632","Present",NA,NA
+"31439","Austrobailignan 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"b809654k048",NA,"COC1=CC(=CC2=C1OCO2)C3C4C(CC5=CC6=C(C=C35)OCO6)COC4=O","GROYKMASYUMFER-RQUSPXKASA-N",325700,NA,"PDBC31439","294826","Present",NA,NA
+"31440","Austrocortilutein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Austrocortilutein",NA,"CC1(CC(C2=C(C1)C(=O)C3=C(C2=O)C(=CC(=C3)OC)O)O)O","LRHFZXBVDMVFCW-NBFOKTCDSA-N",5459129,NA,"PDBC31440","626306","Present",NA,NA
+"31441","Austrocortirubin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Austrocortirubin",NA,"CC1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C=C(C3=O)OC)O)O)O","WWTHHBSODPGTAK-VEDISBKWSA-N",5459130,NA,"PDBC31441","626307","Present",NA,NA
+"31442","Autumnolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Autumnolide",NA,"CC1CC2C(C(C3(C1C4C(C3O)O4)C)O)C(=C)C(=O)O2","NWSWVIKHALGAER-UHFFFAOYSA-N",429184,NA,"PDBC31442","249995","Present",NA,NA
+"31443","Avapritinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BLU-285",NA,"CC(C1=CC=C(C=C1)F)(C2=CN=C(N=C2)N3CCN(CC3)C4=NC=NN5C4=CC(=C5)C6=CN(N=C6)C)N","DWYRIWUZIJHQKQ-SANMLTNESA-N",118023034,NA,"PDBC31443","801082","Present",NA,NA
+"31444","Avarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Avarol",NA,"CC1CCC2(C(C1(C)CC3=C(C=CC(=C3)O)O)CCC=C2C)C","JSPUCPNQXKTYRO-UHFFFAOYSA-N",328503,NA,"PDBC31444","306951","Present",NA,NA
+"31445","Ayanin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ayanin",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)O","KPCRYSMUMBNTCK-UHFFFAOYSA-N",5280682,NA,"PDBC31445","691652","Present",NA,NA
+"31446","Aza-TdCyd",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-aza-T-dCyd",NA,"C1C(C(SC1N2C=NC(=NC2=O)N)CO)O","HOOZQNOZVFCJNL-YSLANXFLSA-N",58422926,NA,"PDBC31446","777586","Present",NA,NA
+"31447","Aza-heterocyclic Derivative, 4c",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aza-heterocyclic Derivative, 4c",NA,"C1=CC=C2C(=C1)C3=C(C2=O)N=NC(=N3)C4=CC(=CC=C4)[N+](=O)[O-]","UXOQLMUKTMDTGC-UHFFFAOYSA-N",387030,NA,"PDBC31447","680350","Present",NA,NA
+"31448","Azacridodimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azacridodimidine",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CN4C3=NC5=CC=CC=C5C4=O)C","GWMNXAFONQZWTO-UHFFFAOYSA-N",364448,NA,"PDBC31448","630709","Present",NA,NA
+"31449","Azacridoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azacridoguanidine",NA,"C1=CC=C2C(=C1)C(=O)N3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","XYTUKSJGACLSMW-UHFFFAOYSA-N",364447,NA,"PDBC31449","630708","Present",NA,NA
+"31450","Azacridomide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azacridomide",NA,"C1=CC=C2C(=C1)C(=O)N3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N","AHGBBGZQXYSBCC-UHFFFAOYSA-N",364446,NA,"PDBC31450","630707","Present",NA,NA
+"31451","Azacridoxazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azacridoxazole",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CN4C3=NC5=CC=CC=C5C4=O","PNMUUBGBJAWRAS-UHFFFAOYSA-N",364449,NA,"PDBC31451","630710","Present",NA,NA
+"31452","Azadirachtin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azadirachtin",NA,"CC=C(C)C(=O)OC1CC(C2(COC3C2C1(C4C5(C3O)COC4(OC6(C5(C7CC6C8(C=COC8O7)O)O)C)C(=O)OC)C)C(=O)OC)OC(=O)C","TWGPOIQWWGNBKW-OVCLIPMQSA-N",5380155,NA,"PDBC31452","368675","Present",NA,NA
+"31453","Azadiradione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azadiradione",NA,"CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CC(=O)C(C4(CC3)C)C5=COC=C5)C)C)(C)C","KWAMDQVQFVBEAU-LVPUXVGSSA-N",363978,NA,"PDBC31453","640465","Present",NA,NA
+"31454","Azalomycin F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azalomycin F",NA,NA,NA,NA,NA,"PDBC31454","91768","Present",NA,NA
+"31455","Azane;(E)-but-2-enoate;cobalt(3+);perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentamminecrotonatocobalt(III)perchlorate///trans-Tetramminedicronatocobalt(III)perchlorate",NA,"CC=CC(=O)[O-].CC=CC(=O)[O-].N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","JWKKBMSFXWEBSH-XSAVSNBGSA-K",24202160,NA,"PDBC31455","630624///630662","Present",NA,NA
+"31456","Azane;2-chloroacetate;cobalt(3+);perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Tetrammine(bischloraceto)cobalt(III) perchlorate",NA,"C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","XXKITYWMCOTZLI-UHFFFAOYSA-K",24202152,NA,"PDBC31456","630654","Present",NA,NA
+"31457","Azane;2-chloroacetate;hexane-1,6-diamine;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;2-chloroacetate;hexane-1,6-diamine;platinum(4+)",NA,"C(CCCN)CCN.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.N.N.[Pt+4].[Pt+4]","MIBZZXNFPHWVEX-UHFFFAOYSA-J",24202352,NA,"PDBC31457","641459","Present",NA,NA
+"31458","Azane;2-chloroacetate;pentane-1,5-diamine;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;2-chloroacetate;pentane-1,5-diamine;platinum(4+)",NA,"C(CCN)CCN.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.N.N.[Pt+4].[Pt+4]","HSVKVHHYGZTTSX-UHFFFAOYSA-J",24202354,NA,"PDBC31458","641461","Present",NA,NA
+"31459","Azane;2-ethylpropanedioate;pentane-1,5-diamine;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;2-ethylpropanedioate;pentane-1,5-diamine;platinum(4+)",NA,"CCC(C(=O)[O-])C(=O)[O-].CCC(C(=O)[O-])C(=O)[O-].C(CCN)CCN.N.N.[Pt+4].[Pt+4]","LELOBWCPECRXGO-UHFFFAOYSA-J",24202353,NA,"PDBC31459","641460","Present",NA,NA
+"31460","Azane;2-sulfamoyl-7H-purine-6-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC65990",NA,"C1=NC2=C(N1)C(=NC(=N2)S(=O)(=O)N)S(=O)(=O)O.N","VJFFYUBPNOALBC-UHFFFAOYSA-N",24187586,NA,"PDBC31460","65990","Present",NA,NA
+"31461","Azane;3-(2-oxo-1H-benzo[g]quinoxalin-3-yl)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammonia; 3-(2-oxo-1h-benzo[g]quinoxalin-3-yl)propanoic acid",NA,"C1=CC=C2C=C3C(=CC2=C1)NC(=O)C(=N3)CCC(=O)O.N","SQZFLSHFWZSPSG-UHFFFAOYSA-N",387561,NA,"PDBC31461","681484","Present",NA,NA
+"31462","Azane;3-(dimethylamino)propylcarbamodithioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamodithioic acid, [3-(dimethylamino)propyl]-, monoam...",NA,"CN(C)CCCNC(=S)S.N","MBRKNRQEJRITNW-UHFFFAOYSA-N",13481562,NA,"PDBC31462","150556","Present",NA,NA
+"31463","Azane;[4-[(dithiocarboxyamino)methyl]cyclohexyl]methylcarbamodithioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;[4-[(dithiocarboxyamino)methyl]cyclohexyl]methylcarbamodithioic acid",NA,"C1CC(CCC1CNC(=S)S)CNC(=S)S.N","RUCYZBVEMZAFSG-UHFFFAOYSA-N",54600120,NA,"PDBC31463","136468","Present",NA,NA
+"31464","Azane;bis(sulfanylidene)molybdenum(2+);sulfanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;bis(sulfanylidene)molybdenum(2+);sulfanide",NA,"N.[SH-].[SH-].S=[Mo+2]=S","BPNOCACNAOSUTF-UHFFFAOYSA-L",371818,NA,"PDBC31464","646291","Present",NA,NA
+"31465","Azane;bis(sulfanylidene)tungsten;sulfanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;bis(sulfanylidene)tungsten;sulfanide",NA,"N.[SH-].[SH-].S=[W]=S","XNNDLYXOUXXJFA-UHFFFAOYSA-L",371817,NA,"PDBC31465","646288","Present",NA,NA
+"31466","Azane;butane-1,4-diamine;2-chloroacetate;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;butane-1,4-diamine;2-chloroacetate;platinum(4+)",NA,"C(CCN)CN.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.C(C(=O)[O-])Cl.N.N.[Pt+4].[Pt+4]","POPBOKAAHABYAW-UHFFFAOYSA-J",24202357,NA,"PDBC31466","641464","Present",NA,NA
+"31467","Azane;butane-1,4-diamine;cyclobutane-1,1-dicarboxylate;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;butane-1,4-diamine;cyclobutane-1,1-dicarboxylate;platinum(4+)",NA,"C1CC(C1)(C(=O)[O-])C(=O)[O-].C1CC(C1)(C(=O)[O-])C(=O)[O-].C(CCN)CN.N.N.[Pt+4].[Pt+4]","XDBGDWGHHOHCSS-UHFFFAOYSA-J",24202356,NA,"PDBC31467","641463","Present",NA,NA
+"31468","Azane;butane-1,4-diamine;platinum(4+);propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;butane-1,4-diamine;platinum(4+);propanedioate",NA,"C(CCN)CN.C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].N.N.[Pt+4].[Pt+4]","ZITXBRITUYGAJE-UHFFFAOYSA-J",24202355,NA,"PDBC31468","641462","Present",NA,NA
+"31469","Azane;butanoate;cobalt(3+);perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentamminebutyratocobalt(III)perchlorate///trans-Tetramminedibutyratocobalt(III)perchlorate",NA,"CCCC(=O)[O-].N.N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","CDKJHNOTRHHINM-UHFFFAOYSA-L",24202130,NA,"PDBC31469","630619///630651","Present",NA,NA
+"31470","Azane;cobalt(3+);2,2-dichloroacetate;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Tetramminebis(dichloroacetato)cobalt(III)perchlorate",NA,"C(C(=O)[O-])(Cl)Cl.C(C(=O)[O-])(Cl)Cl.N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","JRUOYYOPZLMMCZ-UHFFFAOYSA-K",24202153,NA,"PDBC31470","630655","Present",NA,NA
+"31471","Azane;cobalt(3+);2-methylpropanoate;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Tetramminediisobutyratocobalt(III)perchlorate///cis-Tetramminediisobutyratocobalt(III)perchlorate",NA,"CC(C)C(=O)[O-].CC(C)C(=O)[O-].N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","AEJBJWQDYQGRLC-UHFFFAOYSA-K",24202151,NA,"PDBC31471","630652///630653","Present",NA,NA
+"31472","Azane;cobalt(3+);3-methylbutanoate;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentaammineisovaleriatocobalt(III)perchlorate///cis-Tetramminediisovaleratocobalt(III)perchlorate///trans-Tetramminediisovaleratocobalt(III)perchlorate",NA,"CC(C)CC(=O)[O-].CC(C)CC(=O)[O-].N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","ZFJMAGYSOOVDID-UHFFFAOYSA-K",24202149,NA,"PDBC31472","630617///630649///630650","Present",NA,NA
+"31473","Azane;cobalt(3+);3-methylbutanoate;perchloric acid;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Tetramminediisovaleratocobalt(III) perchlorate.HClO4",NA,"CC(C)CC(=O)[O-].CC(C)CC(=O)[O-].N.N.N.N.OCl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Co+3]","PMAHQSSIBFONIB-UHFFFAOYSA-K",24202148,NA,"PDBC31473","630648","Present",NA,NA
+"31474","Azane;cobalt(3+);azide;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentammineazidocobalt(III)iodide",NA,"N.N.N.N.N.[N-]=[N+]=[N-].[Co+3].[I-]","TVJVAPNQAXAWRT-UHFFFAOYSA-M",24202127,NA,"PDBC31474","630615","Present",NA,NA
+"31475","Azane;cobalt(3+);azide;sulfite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrammineazidosulfitocobalt(III)",NA,"N.N.N.N.[N-]=[N+]=[N-].[O-]S(=O)[O-].[Co+3]","DQRNGJOFUVEBEO-UHFFFAOYSA-L",24202157,NA,"PDBC31475","630659","Present",NA,NA
+"31476","Azane;cobalt(3+);carbamate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentamminecarbaminatocobalt(III)iodide",NA,"C(=O)(N)[O-].N.N.N.N.N.[Co+3].[I-]","VWAXRUZWFXQYTB-UHFFFAOYSA-L",24202126,NA,"PDBC31476","630614","Present",NA,NA
+"31477","Azane;cobalt(3+);diazide;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Tetramminediazidocobalt(III)chloride",NA,"N.N.N.N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Cl-].[Co+3]","XILYTJYZEBZJSZ-UHFFFAOYSA-M",24202140,NA,"PDBC31477","630633","Present",NA,NA
+"31478","Azane;cobalt(3+);diazide;nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Tetramminediazidocobalt(III)nitrate",NA,"N.N.N.N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N+](=O)([O-])[O-].[Co+3]","MRWNEZGVQRPWJY-UHFFFAOYSA-N",24202156,NA,"PDBC31478","630658","Present",NA,NA
+"31479","Azane;cobalt(3+);nitrate;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentamminenitratocobalt(III)perchlorate",NA,"N.N.N.N.N.[N+](=O)([O-])[O-].[O-]Cl(=O)(=O)=O.[Co+3]","KNTUIOXXRHFLNC-UHFFFAOYSA-M",24202124,NA,"PDBC31479","630610","Present",NA,NA
+"31480","Azane;cobalt(3+);octanoate;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentamminecaprylatocobalt(III)perchlorate///trans-Tetramminedicaprylatocobal(III)perchlorate",NA,"CCCCCCCC(=O)[O-].N.N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","OODSDDMYHWYZRO-UHFFFAOYSA-L",24202134,NA,"PDBC31480","630623///630661","Present",NA,NA
+"31481","Azane;cobalt(3+);pentanoate;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentaamminevaleriatocobalt(III)perchlorate H2O",NA,"CCCCC(=O)[O-].N.N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","JXCDOWMHYSOQTK-UHFFFAOYSA-L",24202129,NA,"PDBC31481","630618","Present",NA,NA
+"31482","Azane;cobalt(3+);propanoate;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Tetramminedipropionatocobalt(III)perchlorate",NA,"CCC(=O)[O-].CCC(=O)[O-].N.N.N.N.[O-]Cl(=O)(=O)=O.[Co+3]","NRTQLGHWGGWNPB-UHFFFAOYSA-K",24202158,NA,"PDBC31482","630660","Present",NA,NA
+"31483","Azane;cobalt(3+);tetranitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ammoniumdiamminetetranitratcobalte(III)",NA,"N.N.N.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Co+3]","UCKIEXCGPQIYJF-UHFFFAOYSA-N",24202177,NA,"PDBC31483","631461","Present",NA,NA
+"31484","Azane;cobalt(3+);triazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Tetramminediazidocobalt(III)azide",NA,"N.N.N.N.[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[Co+3]","QJOGNAZJKYBTCJ-UHFFFAOYSA-N",24202162,NA,"PDBC31484","630664","Present",NA,NA
+"31485","Azane;dioxomolybdenum(2+);sulfanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;dioxomolybdenum(2+);sulfanide",NA,"N.O=[Mo+2]=O.[SH-].[SH-]","CTFDTBUAQTUTND-UHFFFAOYSA-L",371816,NA,"PDBC31485","646285","Present",NA,NA
+"31486","Azane;hexane-1,6-diamine;platinum(4+);propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;hexane-1,6-diamine;platinum(4+);propanedioate",NA,"C(CCCN)CCN.C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].N.N.[Pt+4].[Pt+4]","JRJQSFZVKGKJTK-UHFFFAOYSA-J",24202350,NA,"PDBC31486","641457","Present",NA,NA
+"31487","Azane;nonane-1,9-diamine;platinum(4+);propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azane;nonane-1,9-diamine;platinum(4+);propanedioate",NA,"C(CCCCN)CCCCN.C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].N.N.[Pt+4].[Pt+4]","KNTOIZFDHGNKOB-UHFFFAOYSA-J",24202358,NA,"PDBC31487","641466","Present",NA,NA
+"31488","Azane;pentane-1,5-diamine;platinum(4+);propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632793",NA,"C(CCN)CCN.C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].N.N.[Pt+4].[Pt+4]","YATWOIARHZTAOY-UHFFFAOYSA-J",24202212,NA,"PDBC31488","632793","Present",NA,NA
+"31489","Azanide;3,4-dihydroxycyclobut-3-ene-1,2-dione;ruthenium(5+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ruthenium(+), pentaammine[3,4-dihydroxy-3-cyclobutene-1,...",NA,"C1(=C(C(=O)C1=O)O)O.[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].[Ru+5]","HGZYWHKCPBQERD-UHFFFAOYSA-N",434931,NA,"PDBC31489","360859","Present",NA,NA
+"31490","Azanide;3-phenylpyridine;ruthenium(3+);chloride;sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azanide;3-phenylpyridine;ruthenium(3+);chloride;sulfate",NA,"C1=CC=C(C=C1)C2=CN=CC=C2.[NH2-].[NH2-].[NH2-].[NH2-].[O-]S(=O)(=O)[O-].[Cl-].[Ru+3]","ZUKSVISTGSYHNI-UHFFFAOYSA-K",369889,NA,"PDBC31490","642084","Present",NA,NA
+"31491","Azanide;azanylidyneoxidanium;ruthenium(5+);sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azanide;azanylidyneoxidanium;ruthenium(5+);sulfate",NA,"[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].N#[O+].[O-]S(=O)(=O)[O-].[Ru+5]","VSVVVANUEPDTQH-UHFFFAOYSA-L",374958,NA,"PDBC31491","653617","Present",NA,NA
+"31492","Azanide;chlororuthenium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ruthenium ammine chloride",NA,"[NH2-].[NH2-].[NH2-].[NH2-].[NH2-].Cl[Ru]","FVLISFOJPGNUJO-UHFFFAOYSA-M",425301,NA,"PDBC31492","172784","Present",NA,NA
+"31493","Azanide;cobalt;sulfurous acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC187613",NA,"[NH2-].[NH2-].[NH2-].[NH2-].OS(=O)O.OS(=O)O.[Co]","WOEMKXADWJHCPI-UHFFFAOYSA-N",426356,NA,"PDBC31493","187613","Present",NA,NA
+"31494","Azanide;cyclobutylazanide;cyclohexane-1,2-dicarboxylic acid;platinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azanide;cyclobutylazanide;cyclohexane-1,2-dicarboxylic acid;platinum(2+)",NA,"C1CCC(C(C1)C(=O)O)C(=O)O.C1CC(C1)[NH-].[NH2-].[Pt+2]","PTXCRJJLRKUUFH-UHFFFAOYSA-N",434393,NA,"PDBC31494","349460","Present",NA,NA
+"31495","Azanide;dibromoplatinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"platinum, diamminedibromo-, cis- (8ci)",NA,"[NH2-].[NH2-].Br[Pt+2]Br","OTYKNRGMJLUPCT-UHFFFAOYSA-L",422107,NA,"PDBC31495","141523","Present",NA,NA
+"31496","Azanide;piperidin-1-ide-4-carboxylic acid;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC175423",NA,"C1C[N-]CCC1C(=O)O.C1C[N-]CCC1C(=O)O.[NH2-].[NH2-].[Pt+4]","NCPXVOISGWQZTM-UHFFFAOYSA-N",54606971,NA,"PDBC31496","175423","Present",NA,NA
+"31497","Azanide;pyridine;ruthenium(3+);chloride;sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azanide;pyridine;ruthenium(3+);chloride;sulfate",NA,"C1=CC=NC=C1.[NH2-].[NH2-].[NH2-].[NH2-].[O-]S(=O)(=O)[O-].[Cl-].[Ru+3]","BAHXKXLXPKPIAC-UHFFFAOYSA-K",369888,NA,"PDBC31497","642083","Present",NA,NA
+"31498","Azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azanylidyneoxidanium;cyclopenta-1,3-diene;rhenium;triphenylphosphanium;benzoate",NA,"[CH-]1[C-]=[C-][C-]=[C-]1.C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.N#[O+].[Re]","AHRLFPAXXVUQQF-UHFFFAOYSA-N",6330777,NA,"PDBC31498","621333","Present",NA,NA
+"31499","Azaserine cyclic peptide, cis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZASERINE, CYCLIC PEPTIDE (TRANS)///AZASERINE, CYCLIC PEPTIDE (CIS)",NA,"C(C1C(=O)NC(C(=O)N1)COC(=O)C=[N+]=[N-])OC(=O)C=[N+]=[N-]","FQOSBNGBQBYQIE-UHFFFAOYSA-N",3848642,NA,"PDBC31499","272688///272689","Present",NA,NA
+"31500","Azelastine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azelastine HCl",NA,NA,"CN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Cl","YEJAJYAHJQIWNU-UHFFFAOYSA-N",54360,NA,"PDBC31500",NA,"Absent",NA,NA
+"31501","Azepan-1-yl-(4,5-dihydro-oxazol-2-yl)-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azepan-1-yl-(4,5-dihydro-oxazol-2-yl)-amine",NA,"C1CCCN(CC1)NC2=NCCO2","BVSANVACGHQFRV-UHFFFAOYSA-N",379452,NA,"PDBC31501","664002","Present",NA,NA
+"31502","Azido-ipapp",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azido-ipapp",NA,"C1CN(CCN1CCC2=CC(=C(C=C2)N=[N+]=[N-])I)C3=CC=CC(=C3)C(F)(F)F","DGGQFCKCVDYJDO-UHFFFAOYSA-N",363353,NA,"PDBC31502","628236","Present",NA,NA
+"31503","Azidoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azidoacetamide",NA,"C(C(=O)N)N=[N+]=[N-]","WOEYOUBBHRYDLG-UHFFFAOYSA-N",3246223,NA,"PDBC31503","56315","Present",NA,NA
+"31504","Azidobenzene; 1H-indene; prop-1-en-2-ylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azidobenzene; 1H-indene; prop-1-en-2-ylbenzene",NA,"CC(=C)C1=CC=CC=C1.C1C=CC2=CC=CC=C21.C1=CC=C(C=C1)N=[N+]=[N-]","RJJLJOMKVODHKT-UHFFFAOYSA-N",275479,NA,"PDBC31504","122351","Present",NA,NA
+"31505","Azidopine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azidopine",NA,"CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C(=O)OCCNC(=O)C3=CC=C(C=C3)N=[N+]=[N-])C)C","SWMHKFTXBOJETC-UHFFFAOYSA-N",656406,NA,"PDBC31505","617999","Present",NA,NA
+"31506","Azimilide dihydrochloride;A-9054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azimilide dihydrochloride;A-9054",NA,NA,NA,NA,NA,"PDBC31506","786033","Present",NA,NA
+"31507","Aziridin-1-yl-[4-[[(E)-[3-(4-chloroanilino)-10-(4-chlorophenyl)phenazin-2-ylidene]amino]methyl]-1-piperidyl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperidinecarboxamide, N-(1,2-ethanediyl)-4-[[[10-(4-c...",NA,"C1CN(CCC1CN=C2C=C3C(=NC4=CC=CC=C4N3C5=CC=C(C=C5)Cl)C=C2NC6=CC=C(C=C6)Cl)C(=O)N7CC7","VCTVVYZBLQLKGT-UHFFFAOYSA-N",15957528,NA,"PDBC31507","742308","Present",NA,NA
+"31508","Aziridine, 1,1'-[tetramethyl-p-phenylenebis(methylenecarbonyl)]bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aziridine, 1,1'-[(2,3,5,6-tetramethyl-1,4-phenylene)bis(...",NA,"CC1=C(C(=C(C(=C1CC(=O)N2CC2)C)C)CC(=O)N3CC3)C","AEWRLJFSKWRMTB-UHFFFAOYSA-N",241000,NA,"PDBC31508","48034","Present",NA,NA
+"31509","Azobenzene-4-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-(Phenylazo)benzenesulfonic acid",NA,"C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O","AJMNDPOSKIBVGX-UHFFFAOYSA-N",17210,NA,"PDBC31509","1847","Present",NA,NA
+"31510","Azobisisobutyramidinium dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azobisisobutyramidinium dichloride",NA,"CC(C)(C(=N)N)N=NC(C)(C)C(=N)N.Cl","QMYCJCOPYOPWTI-UHFFFAOYSA-N",84924,NA,"PDBC31510","668416","Present",NA,NA
+"31511","Azomethine-H Monosodium Salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC88947",NA,"C1=CC=C(C(=C1)C=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)O.[Na+]","VDMRMECRCLGIAD-UHFFFAOYSA-N",135534491,NA,"PDBC31511","88947","Present",NA,NA
+"31512","Azonafides",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azonafides",NA,"CN(CCN)CCN1C(=O)C2=CC=C(C3=CC4=CC=CC=C4C(=C23)C1=O)OC","BIODVRTUEIQALL-UHFFFAOYSA-N",59322874,NA,"PDBC31512","783604","Present",NA,NA
+"31513","Azoxydapsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azoxydapsone {1,2-bis-[4-(4'-aminophenylsulfonylphenyl)]...",NA,"C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N=[N+](C3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)N)[O-]","SMEWQWPADHSEIL-UHFFFAOYSA-N",380146,NA,"PDBC31513","665549","Present",NA,NA
+"31514","Aztec",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"timazid",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-]","HBOMLICNUCNMMY-UHFFFAOYSA-N",5726,NA,"PDBC31514","602670","Present",NA,NA
+"31515","Azulene; carbon monoxide; cyclopentane; iron; oxoniumylidynemethyliron; hexafluorophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azulene; carbon monoxide; cyclopentane; iron; oxoniumylidynemethyliron; hexafluorophosphate",NA,NA,NA,NA,NA,"PDBC31515","649304","Present",NA,NA
+"31516","Azuleno[6,5-b]furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hexahydro-5,8-dimethyl-3-methylene-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azuleno[6,5-b]furan-2,6(3H,4H)-dione, 3a,7,7a,8,9,9a-hex...",NA,"CC1CC2C(CC3=C(C(=O)CC13)C)C(=C)C(=O)O2","UQNONRHPSCIIJO-PYKVZLTGSA-N",375107,NA,"PDBC31516","654208","Present",NA,NA
+"31517","Azure B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azur I",NA,"CNC1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]","DNDJEIWCTMMZBX-UHFFFAOYSA-N",68275,NA,"PDBC31517","9598","Present",NA,NA
+"31518","Azure C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azure C (VAN)",NA,"CN=C1C=CC2=[NH+]C3=C(C=C(C=C3)N)SC2=C1.[Cl-]","DDGMDTGNGDOUPX-UHFFFAOYSA-N",135421845,NA,"PDBC31518","16165","Present",NA,NA
+"31519","B, Pyrrolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B, Pyrrolizine",NA,"C1CCC(CC1)NC(=O)OCC2=C3CCCN3C(=C2COC(=O)NC4CCCCC4)C5=CC(=C(C=C5)Cl)Cl","XTAYNAQYUVGGEV-UHFFFAOYSA-N",320367,NA,"PDBC31519","267702","Present",NA,NA
+"31520","B-Homo-2-ethoxy-estradiol-3,17beta-diacetate-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B-homo-2-ethoxy-estradiol-3,17.beta.-diacetate-6-one",NA,"CCOC1=C(C=C2C(=O)CCC3C(C2=C1)CCC4(C3CCC4OC(=O)C)C)OC(=O)C","POGDKUSBXXONQZ-QYCCZEHPSA-N",396891,NA,"PDBC31520","703990","Present",NA,NA
+"31521","B676297K152 3',4'-Deoxypsorospermin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B676297K152 3',4'-Deoxypsorospermin",NA,"CC(=C)C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O","KTBULHGICAOTLC-UHFFFAOYSA-N",354176,NA,"PDBC31521","605100","Present",NA,NA
+"31522","B676297K277 3',4'-Chlorohydrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B676297K277 3',4'-Deoxypsorospermin 3',4'-chlorohydrin",NA,"CC(CCl)(C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O)O","QDSRUIDWGNCDAY-UHFFFAOYSA-N",354175,NA,"PDBC31522","605099","Present",NA,NA
+"31523","B704949F149",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B704949F149",NA,NA,NA,NA,NA,"PDBC31523","293856","Present",NA,NA
+"31524","BAD 092 antibody",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAD 092 antibody",NA,NA,NA,NA,NA,"PDBC31524","740286","Present",NA,NA
+"31525","BAL-27862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAL-27862",NA,"C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)N)C4=NON=C4NCCC#N","LSFOZQQVTWFMNS-UHFFFAOYSA-N",11176685,NA,"PDBC31525","762598","Present",NA,NA
+"31526","BAR 2A5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAR 2A5",NA,NA,NA,NA,NA,"PDBC31526","636200","Present",NA,NA
+"31527","BAR 3C2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAR 3C2",NA,NA,NA,NA,NA,"PDBC31527","636202","Present",NA,NA
+"31528","BAR 3G6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAR 3G6",NA,NA,NA,NA,NA,"PDBC31528","636201","Present",NA,NA
+"31529","BAR 5E1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAR 5E1",NA,NA,NA,NA,NA,"PDBC31529","636198","Present",NA,NA
+"31530","BAR 5F1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAR 5F1",NA,NA,NA,NA,NA,"PDBC31530","636199","Present",NA,NA
+"31531","BAS 00141207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 00141207",NA,"C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NCCCCl)O","CWNVCCZYWYALHV-UHFFFAOYSA-N",54680433,NA,"PDBC31531","675811","Present",NA,NA
+"31532","BAS 00609206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 00609206",NA,"C1=CC=C(C(=C1)C2=NC(=S)NN2)O","CCAJTTYNVNCKDV-UHFFFAOYSA-N",693307,NA,"PDBC31532","635836","Present",NA,NA
+"31533","BAS 00844476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 00844476",NA,"CC(=O)NC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl","XJXVGGUMZPQFHT-UHFFFAOYSA-N",401582,NA,"PDBC31533","715277","Present",NA,NA
+"31534","BAS 01020111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 01020111",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(O3)C4=CC=CC=C4O","ZDXSHQBCHBUIIR-UHFFFAOYSA-N",399168,NA,"PDBC31534","709587","Present",NA,NA
+"31535","BAS 01081611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 01081611",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=S)NC3=CC=CC=C3","MRNMXGASLXONTP-UHFFFAOYSA-N",832521,NA,"PDBC31535","653936","Present",NA,NA
+"31536","BAS 01290790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 01290790",NA,"C1=CC(=CC=C1OCC2=NNC(=S)O2)Cl","PDXDDOYYKNFNDC-UHFFFAOYSA-N",681971,NA,"PDBC31536","636111","Present",NA,NA
+"31537","BAS 02789523",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 02789523",NA,"CC(C)OCC1CC(C(=O)O1)CC(=O)NC2=NN=CS2","GSVAENGAIPQKQO-UHFFFAOYSA-N",392615,NA,"PDBC31537","693171","Present",NA,NA
+"31538","BAS 03033886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 03033886",NA,"CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)OC","SMTXEVLYROUGMC-UHFFFAOYSA-N",362273,NA,"PDBC31538","625884","Present",NA,NA
+"31539","BAS 09618731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAS 09618731",NA,"C1CC2=C(C(=O)C1)C3=C(O2)C=CC(=C3)NS(=O)(=O)C4=CC=C(C=C4)C(=O)O","UFSFSBBYWNVREP-UHFFFAOYSA-N",1094892,NA,"PDBC31539","743410","Present",NA,NA
+"31540","BAS100 Monohydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bas100 monohydrate",NA,"CC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)CCC4C(OC5(O4)C=CC6=C(O5)C=C7C(=C6OCC=C(C)CCC(C(C)(C)O)O)CCO7)(C)C","KXJKHOFHTOECCZ-LVSXPEEVSA-N",45028404,NA,"PDBC31540","742554","Present",NA,NA
+"31541","BAVYCPDCCNBABH-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAVYCPDCCNBABH-UHFFFAOYSA-N",NA,"CCC1C2(C(=N)OC(O1)(CC2(C#N)C#N)C)C#N","BAVYCPDCCNBABH-UHFFFAOYSA-N",387799,NA,"PDBC31541","681871","Present",NA,NA
+"31542","BAY-1000394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1000394",NA,"CC(C(C)OC1=NC(=NC=C1C(F)(F)F)NC2=CC=C(C=C2)S(=N)(=O)C3CC3)O","UELYDGOOJPRWGF-MFOHZAOFSA-N",45380979,NA,"PDBC31542","774911","Present",NA,NA
+"31543","BAY-1082439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1082439",NA,"CC1=C(C=CC=N1)C(=O)N=C2N=C3C(=C4N2CCN4)C=CC(=C3OC)OCC(CN5CCOCC5)O","QJTLLKKDFGPDPF-QGZVFWFLSA-N",135905473,NA,"PDBC31543","794590","Present",NA,NA
+"31544","BAY-1125976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1125976",NA,"C1CC(C1)(C2=CC=C(C=C2)C3=C(N4C(=N3)C=CC(=N4)C(=O)N)C5=CC=CC=C5)N","JBGYKRAZYDNCNV-UHFFFAOYSA-N",70817911,NA,"PDBC31544","793324","Present",NA,NA
+"31545","BAY-1217389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1217389",NA,"CC1=C(C=CC(=C1)C2=CN=C3N2N=C(C=C3NCCC(F)(F)F)OC4=C(C(=C(C=C4)OC)F)F)C(=O)NC5CC5","WNEILUNVMHVMPH-UHFFFAOYSA-N",78320750,NA,"PDBC31545","787026","Present",NA,NA
+"31546","BAY-1436032",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1436032",NA,"CC1CC(CC(C1)(C)C)N2C3=C(C=C(C=C3)CCC(=O)O)N=C2NC4=CC=C(C=C4)OC(F)(F)F","RNMAUIMMNAHKQR-QFBILLFUSA-N",118310260,NA,"PDBC31546","794487","Present",NA,NA
+"31547","BAY-1816032",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1816032",NA,"COC1=CN=C(N=C1NC2=C(C=NC=C2)OC)C3=NN(C4=CC=CC=C43)CC5=C(C=C(C=C5F)OCCO)F","QVOGVAVHOLLLAZ-UHFFFAOYSA-N",118958833,NA,"PDBC31547","803409","Present",NA,NA
+"31548","BAY-2402234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-2402234",NA,"CCN1C(=NN(C1=O)C2=C(C=C(C(=C2)OC(C)C(F)(F)F)C(=O)NC3=C(C=CC=C3Cl)F)F)CO","KNVJMHHAXCPZHF-JTQLQIEISA-N",134470179,NA,"PDBC31548","809973","Present",NA,NA
+"31549","BAY-2416964",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-2416964",NA,"CC(CO)NC(=O)C1=CC(=NN(C1=O)C2=CN(N=C2)C)C3=CC=C(C=C3)Cl","YAGSZKAJPHGVOV-NSHDSACASA-N",135303769,NA,"PDBC31549","825713","Present",NA,NA
+"31550","BAY-293",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-293",NA,"CC1=NC2=CC(=C(C=C2C(=N1)NC(C)C3=CC(=CS3)C4=CC=CC=C4CNC)OC)OC","WEGLOYDTDILXDA-OAHLLOKOSA-N",137322663,NA,"PDBC31550","824723","Present",NA,NA
+"31551","BAY-876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-876",NA,"CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C(F)(F)F)NC(=O)C3=CC(=NC4=C3C=CC(=C4)F)C(=O)N","BKLJDIJJOOQUFG-UHFFFAOYSA-N",118191391,NA,"PDBC31551","793149","Present",NA,NA
+"31552","BBG 066 antibody",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BBG 066 antibody",NA,NA,NA,NA,NA,"PDBC31552","740288","Present",NA,NA
+"31553","BC 76",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BC 76",NA,"C1=CC=C(C=C1)CSC2=NC=NC3=C2N=CN3CCCl","HCWAMVQMVMQQNI-UHFFFAOYSA-N",246230,NA,"PDBC31553","58905","Present",NA,NA
+"31554","BC 77",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BC 77",NA,"C1=CC=C(C(=C1)CSC2=NC=NC3=C2N=CN3CCCl)Cl","JIVHOWFJTJBYTK-UHFFFAOYSA-N",246231,NA,"PDBC31554","58906","Present",NA,NA
+"31555","BCDLEKMDBUUAFT-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BCDLEKMDBUUAFT-UHFFFAOYSA-N",NA,"C1CC2=C(C1)NC3=NC=CN3C2=O","BCDLEKMDBUUAFT-UHFFFAOYSA-N",377282,NA,"PDBC31555","658535","Present",NA,NA
+"31556","BCH-189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BCH-189",NA,"C1C(OC(S1)CO)N2C=CC(=NC2=O)N","JTEGQNOMFQHVDC-UHFFFAOYSA-N",3877,NA,"PDBC31556","620753","Present",NA,NA
+"31557","BCL-201 diHCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BCL-201 diHCl",NA,"C1CCN2C(=C(C=C2C3=CC4=C(C=C3C(=O)N5CC6=CC=CC=C6CC5CN7CCOCC7)OCO4)C(=O)N(C8=CC=CC=C8)C9=CC=C(C=C9)O)C1","VYXJULKGMXJVGI-XIFFEERXSA-N",71654876,NA,"PDBC31557","820918","Present",NA,NA
+"31558","BCP11234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BCP11234",NA,"CC1=CC(=C(N1NC(=O)OC(C)(C)C)C)C(=O)OC","IYKUSRPMMWSDJM-UHFFFAOYSA-N",371431,NA,"PDBC31558","645651","Present",NA,NA
+"31559","BCP31197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BCP31197",NA,"CN1C2=CC=CC=C2C(=O)NC3=CN=C(N=C31)Cl","DJWRRNUDJBTKNW-UHFFFAOYSA-N",334338,NA,"PDBC31559","339168","Present",NA,NA
+"31560","BDTX-189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BDTX-189",NA,"C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)OCCN5CCOCC5","HIBPKFXWOPYJPZ-UHFFFAOYSA-N",154824631,NA,"PDBC31560","828939","Present",NA,NA
+"31561","BENZYLAMINE, alpha,alpha-DIMETHYL-N-(2-OXAZOLINYL)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-43348",NA,"CC(C)(C1=CC=CC=C1)NC2=NCCO2","KEHKOXVLHWSTAX-UHFFFAOYSA-N",57855,NA,"PDBC31561","664299","Present",NA,NA
+"31562","BFE 055 antibody",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BFE 055 antibody",NA,NA,NA,NA,NA,"PDBC31562","740287","Present",NA,NA
+"31563","BFSPTGLBIIGTKJ-TYPNBTCFSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BFSPTGLBIIGTKJ-TYPNBTCFSA-N",NA,"COC(=O)C1=CC2CC(C2)C=C(C(=O)O1)C3=CC=CC=C3","BFSPTGLBIIGTKJ-TYPNBTCFSA-N",5371714,NA,"PDBC31563","625762","Present",NA,NA
+"31564","BHS102899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BHS102899",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2C(=O)NC(=O)N2","WDTFEPLBHHPIPD-UHFFFAOYSA-N",386882,NA,"PDBC31564","679740","Present",NA,NA
+"31565","BHT103177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BHT103177",NA,"CC1=CC=C(C=C1)C=C2C(=O)NC(=S)N2","LVZWRKRBUQBXCG-TWGQIWQCSA-N",5469194,NA,"PDBC31565","684328","Present",NA,NA
+"31566","BI-3406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BI-3406",NA,"CC1=NC2=CC(=C(C=C2C(=N1)NC(C)C3=CC(=CC(=C3)N)C(F)(F)F)OC4CCOC4)OC","XVFDNRYZXDHTHT-PXAZEXFGSA-N",138911318,NA,"PDBC31566","825286","Present",NA,NA
+"31567","BI-847325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BI-847325",NA,"CCNC(=O)C#CC1=CC2=C(C=C1)C(=C(N2)O)C(=NC3=CC=C(C=C3)CN(C)C)C4=CC=CC=C4","OCUQMWSIGPQEMX-UHFFFAOYSA-N",135567102,NA,"PDBC31567","799360","Present",NA,NA
+"31568","BIM-0016346.P001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIM-0016346.P001",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=C(C=C3)[N+](=O)[O-]","JLBPOYFNHCRMOX-WJDWOHSUSA-N",746808,NA,"PDBC31568","201902","Present",NA,NA
+"31569","BIM-0016811.P001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIM-0016811.P001",NA,"C=CCN1C(=O)C(=CC2=C3C=CC=CC3=CC4=CC=CC=C42)C(=O)NC1=O","DWWYFXMUJBQCET-UYRXBGFRSA-N",1550063,NA,"PDBC31569","622707","Present",NA,NA
+"31570","BIM-0020074.P001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIM-0020074.P001",NA,"CC(=CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])N=C1C=C(C)O)O","DZAMEWGLOXJUAB-VVRUXRSYSA-N",135501475,NA,"PDBC31570","707057","Present",NA,NA
+"31571","BIM-0022645.P001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIM-0022645.P001",NA,"C1=CC=C2C(=C1)N=C(S2)NN=CC3=C(C=C(C=C3)O)O","LOJVMPWEUHXTBY-OVCLIPMQSA-N",135504341,NA,"PDBC31571","45089","Present",NA,NA
+"31572","BIM-0028538.P001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIM-0028538.P001",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C2C=CC(=O)C3=CC=CC=C23","YSKDJLPOIHGCTK-LVZFUZTISA-N",9568239,NA,"PDBC31572","72144","Present",NA,NA
+"31573","BIM-46187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIM-46187",NA,"C1CCC(CC1)CC2C3=NC(=CN3CCN2C(=O)C(CSSCC(C(=O)N4CCN5C=C(N=C5C4CC6CCCCC6)C7=CC=CC=C7)N)N)C8=CC=CC=C8","GGDNOAWICIHSAW-KEAHXZLPSA-N",11593027,NA,"PDBC31573","760842","Present",NA,NA
+"31574","BLU-9931",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BLU-9931",NA,"CC1=C(C(=CC=C1)NC(=O)C=C)NC2=NC=C3C=C(C=CC3=N2)C4=C(C(=CC(=C4Cl)OC)OC)Cl","TXEBNKKOLVBTFK-UHFFFAOYSA-N",72710839,NA,"PDBC31574","785300","Present",NA,NA
+"31575","BLZ-945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BLZ-945",NA,"CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC4CCCCC4O","ADZBMFGQQWPHMJ-RHSMWYFYSA-N",46184986,NA,"PDBC31575","758006","Present",NA,NA
+"31576","BMS-536924",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-536924",NA,"CC1=CC(=CC2=C1N=C(N2)C3=C(C=CNC3=O)NCC(C4=CC(=CC=C4)Cl)O)N5CCOCC5","ZWVZORIKUNOTCS-OAQYLSRUSA-N",135440466,NA,"PDBC31576","761760","Present",NA,NA
+"31577","BMS-777607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-777607",NA,"CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F","VNBRGSXVFBYQNN-UHFFFAOYSA-N",24794418,NA,"PDBC31577","764090","Present",NA,NA
+"31578","BMS-833923",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-833923",NA,"CC1=C(C=C(C=C1)CNC)NC(=O)C2=CC=C(C=C2)NC3=NC4=CC=CC=C4C(=N3)C5=CC=CC=C5","KLRRGBHZCJLIEL-UHFFFAOYSA-N",57662985,NA,"PDBC31578","781469","Present",NA,NA
+"31579","BMS-863233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-863233",NA,"C1CC(NC1)C2=NC3=C(C(=O)N2)OC4=C3C=C(C=C4)Cl","JJWLXRKVUJDJKG-UHFFFAOYSA-N",136662663,NA,"PDBC31579","775771","Present",NA,NA
+"31580","BMS-986158",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-986158",NA,"CC1=C(N(N=N1)C)C2=CC3=C(C4=C(N3C(C5CCOCC5)C6=CC=CC=C6)C=C(C=C4)C(C)(C)O)N=C2","KGERZPVQIRYWRK-GDLZYMKVSA-N",118196485,NA,"PDBC31580","801230","Present",NA,NA
+"31581","BOC-varacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOC-varacin",NA,"CC(C)(C)OC(=O)NCCC1=CC(=C(C2=C1SSSSS2)OC)OC","XGYYMFDGMRHWOP-UHFFFAOYSA-N",11144669,NA,"PDBC31581","722778","Present",NA,NA
+"31582","BOHLMANN K4211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K4211",NA,"CC#CC#CC(=CC=CC(=O)OC)SC","WADRMWXNCVHUHQ-HDEMWOFXSA-N",54601613,NA,"PDBC31582","302305","Present",NA,NA
+"31583","BOS-172722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOS-172722",NA,"CCOC1=C(C=CC(=C1)C2=NN=CN2C)NC3=NC=C4C=C(N=C(C4=N3)NCC(C)(C)C)C","SGWLRDAOCLITOM-UHFFFAOYSA-N",73386890,NA,"PDBC31583","809694","Present",NA,NA
+"31584","BP-1-102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BP-1-102",NA,"CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC(=C(C=C3)C(=O)O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F","WNVSFFVDMUSXSX-UHFFFAOYSA-N",53388144,NA,"PDBC31584","764037","Present",NA,NA
+"31585","BPR1J-097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BPR1J-097",NA,"CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=NNC(=C3)C4=CC(=CC=C4)NS(=O)(=O)C5=CC=CC=C5","RRKKHABFIOHAOI-UHFFFAOYSA-N",56673651,NA,"PDBC31585","767897","Present",NA,NA
+"31586","BRCZBTFRPMEDIG-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRCZBTFRPMEDIG-UHFFFAOYSA-N",NA,"CC1(CC(CC(C1)(C2(CC(CC(C2)(C)C)(C)C)O)O)(C)C)C","BRCZBTFRPMEDIG-UHFFFAOYSA-N",373778,NA,"PDBC31586","650742","Present",NA,NA
+"31587","BRD-A17388120-001-07-7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-A17388120-001-07-7",NA,"C1=CC=C2C(=C1)C=CC3=C2C=CC4(O3)NC(=O)C5=CC=CC=C5O4","XGNIWAINDZATCD-UHFFFAOYSA-N",376106,NA,"PDBC31587","656591","Present",NA,NA
+"31588","BRD-A75273200-001-06-5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-A75273200-001-06-5",NA,"COC1=CC(=CC(=C1O)OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4","HNPAUHGGUIWVHL-UHFFFAOYSA-N",382066,NA,"PDBC31588","669380","Present",NA,NA
+"31589","BRD-K01417665-001-03-0",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K01417665-001-03-0",NA,"CC1(C(=C)SC(=NC2=CC=CC=C2Cl)N1C(=O)C3=C(C4=CC=CC=C4S3)Cl)C","UWGWRVLVWZBCQF-UHFFFAOYSA-N",329163,NA,"PDBC31589","310324","Present",NA,NA
+"31590","BRD-K03257426-001-02-0",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K03257426-001-02-0",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=O)CC3=CC=CC=C3","SQTUQXUMHBSGJJ-UHFFFAOYSA-N",376414,NA,"PDBC31590","657328","Present",NA,NA
+"31591","BRD-K05707185-001-01-5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K05707185-001-01-5",NA,"CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC34CC5CC(C3)CC(C5)C4)O","QLDNBIVVQAXUGG-UHFFFAOYSA-N",54678845,NA,"PDBC31591","654970","Present",NA,NA
+"31592","BRD-K52705024-001-02-4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K52705024-001-02-4",NA,"CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5=CC(=CC=C5)OC)C#N","UCOZRAYLUQUWFK-UHFFFAOYSA-N",380606,NA,"PDBC31592","666281","Present",NA,NA
+"31593","BRD-K68192143-001-01-5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K68192143-001-01-5",NA,"C1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C(=O)CF)O","YMRIBQFQMYWELA-VOTSOKGWSA-N",5976008,NA,"PDBC31593","112965","Present",NA,NA
+"31594","BRD-K72253399-001-01-0",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K72253399-001-01-0",NA,"CCC1=CC=C(C=C1)C(=CC=CC2=CC=CC=C2)C#N","RRVXLROTKAZPSF-AVSIYSEJSA-N",5716877,NA,"PDBC31594","202003","Present",NA,NA
+"31595","BRD-K93193246-001-01-8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K93193246-001-01-8",NA,"CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=NC=NC=C3","RVJBBAQRNVSEOO-WOJGMQOQSA-N",5834397,NA,"PDBC31595","689846","Present",NA,NA
+"31596","BRD-K95032747-001-02-8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K95032747-001-02-8",NA,"C1COCCN1C(=C2CC3=CC=CC=C3C2=O)C4=CC=CC=C4","YRFZUSRRVUUYIW-HNENSFHCSA-N",6509476,NA,"PDBC31596","150098","Present",NA,NA
+"31597","BRD-K96548276-001-01-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K96548276-001-01-3",NA,"CC(=NNC(=S)N1CCCC1)C2=CC=CC=N2","KJWUMRFUJFIVGM-GXDHUFHOSA-N",5484394,NA,"PDBC31597","318805","Present",NA,NA
+"31598","BREFLATE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BREFLATE",NA,"CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)O)OC(=O)CN(C)C","ZZWKZQDOSJAGGF-VRSYWUPDSA-N",5459236,NA,"PDBC31598","656202","Present",NA,NA
+"31599","BRUSATOL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRUSATOL",NA,"CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O","ZZZYHIMVKOHVIH-UHFFFAOYSA-N",299645,NA,"PDBC31599","172924","Present",NA,NA
+"31600","BTSHWGAQAYYNFK-RELWKKBWSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BTSHWGAQAYYNFK-RELWKKBWSA-N",NA,"CC(=NNC(=S)N1CCCCCCCCCCCC1)C2=CC=CC=N2","BTSHWGAQAYYNFK-RELWKKBWSA-N",9554758,NA,"PDBC31600","293074","Present",NA,NA
+"31601","BYSSOCHLAMIC ACID",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BYSSOCHLAMIC ACID",NA,"CCCC1C2C(C(CC3=C2C(=O)OC3=O)CC)C4=C1C(=O)OC4=O","ISPXPOYARSGEDK-UHFFFAOYSA-N",291683,NA,"PDBC31601","157036","Present",NA,NA
+"31602","BZHBNLOEUZEUOA-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BZHBNLOEUZEUOA-UHFFFAOYSA-N",NA,"CC1=CC2=C(C=C1N)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O","BZHBNLOEUZEUOA-UHFFFAOYSA-N",360664,NA,"PDBC31602","622982","Present",NA,NA
+"31603","BZUVLAULGXOKJL-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BZUVLAULGXOKJL-UHFFFAOYSA-N",NA,"CC(C)(C)C=C=C(C(C)(C)C)P(=O)(O)O","BZUVLAULGXOKJL-UHFFFAOYSA-N",380888,NA,"PDBC31603","666672","Present",NA,NA
+"31604","Baccatin VI, 1-dehydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Baccatin VI, 1-dehydroxy-",NA,"CC1=C2C(C(C3(C(CC4C(C3C(C(C2(C)C)CC1OC(=O)C)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","JHPBZGSKESVROC-LZYDVKNDSA-N",368288,NA,"PDBC31604","638793","Present",NA,NA
+"31605","Baccatin cento",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Baccatin III",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)OC(=O)C","OVMSOCFBDVBLFW-JQULDETKSA-N",332624,NA,"PDBC31605","330753","Present",NA,NA
+"31606","Baccharin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Baccharin",NA,"CC(C1C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O","DGBITFNXKQHKLI-LCTKYAGXSA-N",5358645,NA,"PDBC31606","269757","Present",NA,NA
+"31607","Baccharinoid A-1 (busam)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BACCHARINOID A-1 (BUSAM)",NA,"CC1=CC2C3(CC1)COC(=O)CC(C(COC(C=CC=CC(=O)OC4C3(C5(CO5)C(C4)O2)C)C(C)O)O)(C)OC(=O)C","XGOQVDSNQJJHTN-CDJQDVQCSA-N",5478016,NA,"PDBC31607","375726","Present",NA,NA
+"31608","Baccharinoid B4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Baccharinoid B4",NA,"CC1=CC2C3(CC1O)COC(=O)C4C(O4)(C(COC(CCCCC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)O)C","GUBFKNDROVCUHE-JXDHWSHHSA-N",6711263,NA,"PDBC31608","604976","Present",NA,NA
+"31609","Baccharinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Baccharinol",NA,"CC1=CC2C3(CC1O)COC(=O)C4C(O4)(C(COC(C=CC=CC(=O)OC5C3(C6(CO6)C(C5)O2)C)C(C)O)O)C","ZGOCMMMDEQOCDU-APBVVRNWSA-N",21678373,NA,"PDBC31609","269756","Present",NA,NA
+"31610","Baccharis principle B-2 (B800157F248 and K381)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC269754",NA,"CC1CC(=O)OCC23CC(C(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1O)C(C)O)C)O","PYYBXMVTBWYBDY-KQQUZDAGSA-N",5476867,NA,"PDBC31610","269754","Present",NA,NA
+"31611","Bacteriocin 28b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bacteriocin 28b",NA,"CC1=CC2=C(C=C1C)NC3=C2C(=O)NC(=O)N3","QWCZOKHSGQMPFY-UHFFFAOYSA-N",387237,NA,"PDBC31611","680812","Present",NA,NA
+"31612","Bactobolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BACTOBOLIN",NA,"CC(C(=O)NC1C2C(C(CC(=C2C(=O)OC1(C)C(Cl)Cl)O)O)O)N","RBCHRRIVFAIGFI-RGBMRXMBSA-N",54676871,NA,"PDBC31612","325014","Present",NA,NA
+"31613","Bafilomycin deriv.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bafilomycin deriv",NA,"CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)O)O)O)OC)C","XDHNQDDQEHDUTM-YJSQNSDISA-N",5385089,NA,"PDBC31613","381866","Present",NA,NA
+"31614","Baileyolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fastigilin A",NA,"CC=C(C)C(=O)OC1C2C(C(=O)OC2C(C(C3C1(C(=O)C=C3)C)C)O)C","NOASRRBRAULRFQ-RMKNXTFCSA-N",5458512,NA,"PDBC31614","267239","Present",NA,NA
+"31615","Baker's Antifol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Baker's Antifol",NA,"CCS(=O)(=O)O.CC1=C(C=CC(=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N)S(=O)(=O)F","OGONXIUGGALDIV-UHFFFAOYSA-N",64840,NA,"PDBC31615","113423","Present",NA,NA
+"31616","Bakuchiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-Bakuchiol",NA,"CC(=CCCC(C)(C=C)C=CC1=CC=C(C=C1)O)C","LFYJSSARVMHQJB-QIXNEVBVSA-N",5468522,NA,"PDBC31616","671195","Present",NA,NA
+"31617","Balsalazide Disodium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Balsalazide Sodium",NA,NA,"C1=CC(=CC=C1C(=O)NCCC(=O)[O-])N=NC2=CC(=C(C=C2)[O-])C(=O)O.[Na+].[Na+]","CKMOQBVBEGCJGW-UHFFFAOYSA-L",135413496,NA,"PDBC31617",NA,"Absent",NA,NA
+"31618","Bam XI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAM XI",NA,"CC1C(=O)OC2C1(C(C3C(C(CC(C3(C)O)OC(=O)C)OC(=O)C)(C(C4C(O4)C(=C2)CO)OC(=O)C)C)OC(=O)C)O","ZFUCRMMHJPZPEN-NSGKAAPTSA-N",5470287,NA,"PDBC31618","699120","Present",NA,NA
+"31619","Bam xii",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAM XII",NA,"CC1C(=O)OC2C1(C(C3C(C(CC(C3(C)O)OC(=O)C)OC(=O)C)(C(C4C(O4)C(=C2)CCl)OC(=O)C)C)OC(=O)C)O","MGVVOEHITFHXLV-NSGKAAPTSA-N",5470286,NA,"PDBC31619","699119","Present",NA,NA
+"31620","Barbituric acid, 5-[3-(4-methoxyphenyl)-2-propenylidene]-2-thio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6(1H,5H)-Pyrimidinedione, dihydro-5-[3-(4-methoxypheny...",NA,"COC1=CC=C(C=C1)C=CC=C2C(=O)NC(=S)NC2=O","ICKKPRWZHMGDPZ-NSCUHMNNSA-N",5874667,NA,"PDBC31620","684569","Present",NA,NA
+"31621","Bare prodigiosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bare prodigiosine",NA,"COC1=CC(=NC1=CC2=CC=CN2)C3=CC=CN3.Cl","LEHXOMYYLQSSKD-MGAWDJABSA-N",135829284,NA,"PDBC31621","742419","Present",NA,NA
+"31622","Barium(2+);6-hydroxy-5-phenyldiazenylnaphthalene-2-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Barium(2+);6-hydroxy-5-phenyldiazenylnaphthalene-2-sulfonic acid",NA,"C1=CC=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O.[Ba+2]","RZPZRKQZRIARLE-UHFFFAOYSA-N",135534340,NA,"PDBC31622","75953","Present",NA,NA
+"31623","Barthrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"barthrin",NA,"CC(=CC1C(C1(C)C)C(=O)OCC2=CC3=C(C=C2Cl)OCO3)C","KPMWGGRSOPMANK-UHFFFAOYSA-N",6266,NA,"PDBC31623","14343","Present",NA,NA
+"31624","Bartramia-triluteolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bartramia-triluteolin",NA,"C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4O)O)C5=CC(=O)C6=C(O5)C(=C(C=C6O)O)C7=C(C=CC(=C7O)O)C8=CC(=O)C9=C(C=C(C=C9O8)O)O)O)O","ZEFMSWXBNQLXHU-UHFFFAOYSA-N",16129918,NA,"PDBC31624","683132","Present",NA,NA
+"31625","Bartramiaflavona",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bartramiaflavona",NA,"C1C(=O)C2=C(C3=C(C=C(C4=C3OC(=CC4=O)C5=C(C6=C(C(=C(C=C6O)O)C1=O)O)C(=C(C=C5)O)O)O)O)C(=C(C=C2)O)O.C1C(=O)C2=C(C=C(C3=C2OC1(C4=C(C5=C(C=C(C6=C5OC(=CC6=O)C7=C3C(=C(C=C7)O)O)O)O)C(=C(C=C4)O)O)O)O)O","GSYLHFHWONAQOL-UHFFFAOYSA-N",11980931,NA,"PDBC31625","683136","Present",NA,NA
+"31626","Basic blue 6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naphthol blue (van)",NA,"C[N+](=C1C=CC2=NC3=C(C=CC4=CC=CC=C43)OC2=C1)C.[Cl-]","HWYNRVXFYFQSID-UHFFFAOYSA-M",101929,NA,"PDBC31626","9291","Present",NA,NA
+"31627","Basic red 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"safranin",NA,"CC1=CC2=C(C=C1N)[N+](=C3C=C(C(=CC3=N2)C)N)C4=CC=CC=C4.[Cl-]","OARRHUQTFTUEOS-UHFFFAOYSA-N",2723800,NA,"PDBC31627","47719","Present",NA,NA
+"31628","Basic red 6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sudan red",NA,"C1=CC=C2C(=C1)C=CC=C2[N+]3=C4C=C(C5=CC=CC=C5C4=NC6=C3C=CC7=CC=CC=C76)N.C1=CC=C2C(=C1)C=CC=C2[N+]3=C4C=C(C5=CC=CC=C5C4=NC6=C3C=C(C7=CC=CC=C76)N)N.[Cl-].[Cl-]","ZMVQHBODRYMWDG-UHFFFAOYSA-N",11980862,NA,"PDBC31628","11241","Present",NA,NA
+"31629","Basic violet 14",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC10466///NSC93739",NA,"CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.Cl","AXDJCCTWPBKUKL-UHFFFAOYSA-N",12447,NA,"PDBC31629","10466///93739","Present",NA,NA
+"31630","Basic violet 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"new fuchsin",NA,"CC1=CC(=C(C2=CC(=C(C=C2)N)C)C3=CC(=C(C=C3)N)C)C=CC1=N.Cl","IPSIPYMEZZPCPY-UHFFFAOYSA-N",14454445,NA,"PDBC31630","9858","Present",NA,NA
+"31631","Bassic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bassic acid",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CC=C5C4(CC(C(C5(C)CO)O)O)C)C)C2C1)C)C(=O)O)C","FJGGNIPUSLFYJJ-QJTVMKANSA-N",160465,NA,"PDBC31631","696121","Present",NA,NA
+"31632","Batracylin, N-Acetyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Batracylin, N-Acetyl-",NA,"CC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2","GIYORETUPYJWBA-UHFFFAOYSA-N",356023,NA,"PDBC31632","611001","Present",NA,NA
+"31633","Batyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"batilol",NA,"CCCCCCCCCCCCCCCCCCOCC(CO)O","OGBUMNBNEWYMNJ-UHFFFAOYSA-N",3681,NA,"PDBC31633","284200","Present",NA,NA
+"31634","Batyl-P-araC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Batyl-P-araC",NA,"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O)O.N","DWFITYHRYZGUQJ-UHFFFAOYSA-N",383215,NA,"PDBC31634","671331","Present",NA,NA
+"31635","Bazzanin Q",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bazzanin Q",NA,"C1CC2=C(C(=C(C=C2C3=CC(=C(C=CC4=CC(=C(C(=C4)Cl)O)C5=C(C(=CC1=C5)Cl)O)C(=C3O)Cl)Cl)Cl)O)Cl","MDOMQLVGLJBUIB-RQOWECAXSA-N",5470645,NA,"PDBC31635","703871","Present",NA,NA
+"31636","Beacon Red",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC12455///NSC47705",NA,"C1=CC=C(C(=C1)C(=O)O)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","QUWBMHATQKBBOD-UHFFFAOYSA-N",135421797,NA,"PDBC31636","12455///47705","Present",NA,NA
+"31637","Becanthone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Becanthone Hydrochloride",NA,"CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CC(C)(C)O.Cl","FQGZKQSSKVAZPH-UHFFFAOYSA-N",20055418,NA,"PDBC31637","15796","Present",NA,NA
+"31638","Behenoyl-arabinofuranosyl-cytosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bhac",NA,"CCCCCCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","SAMRUMKYXPVKPA-UHFFFAOYSA-N",3228,NA,"PDBC31638","239336","Present",NA,NA
+"31639","Belvarafenib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Belvarafenib",NA,"CC1=CC2=C(C=C1)C(=NC=C2NC(=O)C3=CSC4=C3N=CN=C4N)NC5=C(C(=CC=C5)Cl)F","SCJBTFONVDQFCO-UHFFFAOYSA-N",155813674,NA,"PDBC31639","817040","Present",NA,NA
+"31640","Benfluron N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benfluron, N-oxide-",NA,"C[N+](C)(CCOC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O)[O-]","WCZAXBXVDLKQGV-UHFFFAOYSA-N",124631,NA,"PDBC31640","625257","Present",NA,NA
+"31641","Benflurone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benfluron",NA,"CN(C)CCOC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4C2=O","IALAUUKEGMAATC-UHFFFAOYSA-N",54569,NA,"PDBC31641","625255","Present",NA,NA
+"31642","Bengamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bengamide A",NA,"CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)NC1)NC(=O)C(C(C(C(C=CC(C)C)O)O)O)OC","NKASPYGDXVCCTA-NRLSUAAVSA-N",5386504,NA,"PDBC31642","613012","Present",NA,NA
+"31643","Bengamide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bengamide B",NA,"CCCCCCCCCCCCCC(=O)OC1CCC(C(=O)N(C1)C)NC(=O)C(C(C(C(C=CC(C)C)O)O)O)OC","PFRKTXMXGDERHT-BFTYWVKESA-N",11969976,NA,"PDBC31643","646846","Present",NA,NA
+"31644","Bengamide G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bengamide G",NA,"CCCCCCCCCCCCCC(=O)OC(C=CC(C)C)C(C(C(C(=O)NC1CCCCNC1=O)OC)O)O","ZVRFWGNDDYSRLF-QZQOTICOSA-N",5467019,NA,"PDBC31644","646847","Present",NA,NA
+"31645","Bengamide H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bengamide H",NA,"CCCCCCCCCCCCCC(=O)OC(C=CC(C)C)C(C(C(C(=O)NC1CCCCN(C1=O)C)OC)O)O","BIXCWCVYGIQELL-QURGRASLSA-N",5467020,NA,"PDBC31645","646848","Present",NA,NA
+"31646","Bengazole A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bengazole A",NA,"CCCCCCCCCCCCC(=O)OC(C1=CN=CO1)C2=NC(=CO2)C(CC(C(C(C)O)O)O)O","YOIVNBDPUVQHEX-UHFFFAOYSA-N",374628,NA,"PDBC31646","652603","Present",NA,NA
+"31647","Benz(a)anthracene-1,4-dione, 7,12-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz[a]anthracene-1,4-dione, 1,4-dihydro-7,12-dimethyl-",NA,"CC1=C2C=CC3=C(C2=C(C4=CC=CC=C14)C)C(=O)C=CC3=O","KMZNJHZZPXJOPL-UHFFFAOYSA-N",362096,NA,"PDBC31647","625625","Present",NA,NA
+"31648","Benz(j)aceanthrylene, 1,2-dihydro-3,11-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz(j)aceanthrylene, 1,2-dihydro-3,11-dimethyl-",NA,"CC1=C2CCC3=C2C(=CC4=C3C=C(C5=CC=CC=C54)C)C=C1","RYRMILUZWQRIKX-UHFFFAOYSA-N",95726,NA,"PDBC31648","31002","Present",NA,NA
+"31649","Benz[a]indolo[3,2-h]quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,13-Diazapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1,3,5,7,9,11,14,16,18,20-decaene",NA,"C1=CC=C2C(=C1)C=CN3C2=C4C(=C5C=CC=CC5=N4)C=C3","ARFIULSVDJRUHR-UHFFFAOYSA-N",386225,NA,"PDBC31649","677941","Present",NA,NA
+"31650","Benz[b]acridine-6, 12,12'-(3,5-pyridinediyl)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz[b]acridine-6,11-dione, 12,12'-(3,5-pyridinediyl)bis-",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C4=CC=CC=C4N=C3C2=O)C5=CC(=CN=C5)C6=C7C(=NC8=CC=CC=C86)C(=O)C9=CC=CC=C9C7=O","QJFMOZBWBXNDRT-UHFFFAOYSA-N",393104,NA,"PDBC31650","694490","Present",NA,NA
+"31651","Benz[d]isoxazole, 4-benzyloxy-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SVTSHSWFOVTABN-UHFFFAOYSA-N",NA,"CC1=NOC2=C1C(=CC=C2)OCC3=CC=CC=C3","SVTSHSWFOVTABN-UHFFFAOYSA-N",365035,NA,"PDBC31651","631970","Present",NA,NA
+"31652","Benz[h]isoquinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz[h]isoquinolin-6-amine",NA,"C1=CC=C2C(=C1)C(=CC3=C2C=NC=C3)N","HQHADPUCJMHALM-UHFFFAOYSA-N",289159,NA,"PDBC31652","150821","Present",NA,NA
+"31653","Benz[h]isoquinoline,9-dimethoxy-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz[h]isoquinoline, 8,9-dimethoxy-, hydrochloride",NA,"COC1=C(C=C2C(=C1)C=CC3=C2C=NC=C3)OC.Cl","OKLDMYFZHCKSFI-UHFFFAOYSA-N",21144546,NA,"PDBC31653","166738","Present",NA,NA
+"31654","Benzaldehyde, (4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazone, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Tolualdehyde, 4-[bis(2-chloroethyl)amino]-5-ethoxy-, (...",NA,"CCOC1=C(C=C(C(=C1)C=NNC2=NN=C(N2N)C)C)N(CCCl)CCCl.Cl","BMWOCJHMIDZTNJ-KELDOBJCSA-N",54601300,NA,"PDBC31654","103073","Present",NA,NA
+"31655","Benzaldehyde, (8-nitro-2-quinolinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC168470",NA,"C1=CC=C(C(=C1)C=NNC2=NC3=C(C=CC=C3[N+](=O)[O-])C=C2)O","CRPZTTWVPREEJX-LICLKQGHSA-N",135443557,NA,"PDBC31655","168470","Present",NA,NA
+"31656","Benzaldehyde, 2-amino-4,5-bis(phenylmethoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, 2-amino-4,5-bis(phenylmethoxy)-",NA,"C1=CC=C(C=C1)COC2=C(C=C(C(=C2)C=O)N)OCC3=CC=CC=C3","KYFFEDBBVGGFNA-UHFFFAOYSA-N",383866,NA,"PDBC31656","672647","Present",NA,NA
+"31657","Benzaldehyde, 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, 3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]-",NA,"CC1(OCCS1)C2=CC3=C(C=C2C4=C(C(=C(C=C4C=O)OC)OC)OC)OCO3","FUPMCOHFJPKVFD-UHFFFAOYSA-N",372673,NA,"PDBC31657","648206","Present",NA,NA
+"31658","Benzaldehyde, 3,5-bis[(dimethylamino)methyl]-4-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, 3,5-bis[(dimethylamino)methyl]-4-hydroxy-",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C=O","SBQUEJATYBSFNE-UHFFFAOYSA-N",384898,NA,"PDBC31658","675584","Present",NA,NA
+"31659","Benzaldehyde, 4-(dipropylamino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757915",NA,"CCCN(CCC)C1=CC=C(C=C1)C=O","HDOZLDYBGNJMMZ-UHFFFAOYSA-N",69171,NA,"PDBC31659","757915","Present",NA,NA
+"31660","Benzaldehyde, 4-[bis[2-[[(4-methylphenyl)sulfonyl]oxy]ethyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, p-[bis(2-hydroxyethyl)amino]-, di-p-toluen...",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCCN(CCOS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C=O","LVRMKEYJIDODQY-UHFFFAOYSA-N",253329,NA,"PDBC31660","76172","Present",NA,NA
+"31661","Benzaldehyde, bis(phenylmethyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC109929",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)N=CC3=CC=CC=C3","GLRHIFIUOXQKIX-JWGURIENSA-N",5368658,NA,"PDBC31661","109929","Present",NA,NA
+"31662","Benzaldehyde, dimethylsulfonate, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, p-[bis(2-hydroxyethyl)amino]purin-6-ylhydr...",NA,"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NNC2=NC=NC3=C2NC=N3.Cl","QTBONYZWTPJGRK-YDLOHEMZSA-N",54609493,NA,"PDBC31662","54012","Present",NA,NA
+"31663","Benzaldehyde, p-hydroxy-, 6-nitro-2-benzothiazolylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/CU6715000",NA,"C1=CC(=CC=C1C=NNC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])O","DWWMZADRQWXKFN-OVCLIPMQSA-N",135408744,NA,"PDBC31663","4475","Present",NA,NA
+"31664","Benzaldehyde, p-nitro-, (5-nitro-2-pyridyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, p-nitro-, (5-nitro-2-pyridyl)hydrazone",NA,"C1=CC(=CC=C1C=NNC2=NC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","FXXHPQUJYKEZOI-AUWJEWJLSA-N",6110245,NA,"PDBC31664","42365","Present",NA,NA
+"31665","Benzamide riboside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide riboside",NA,"C1=CC(=CC(=C1)C(=O)N)C2C(C(C(O2)CO)O)O","WIYQAQIDVXSPMY-UHFFFAOYSA-N",122749,NA,"PDBC31665","645647","Present",NA,NA
+"31666","Benzamide riboside monophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide riboside monophosphate",NA,"C1=CC(=CC(=C1)C(=O)N)C2C(C(C(O2)COP(=O)(O)O)O)O.[Na+]","RVDRUPJRLRQRRG-UHFFFAOYSA-N",54600731,NA,"PDBC31666","645648","Present",NA,NA
+"31667","Benzamide, 2,4-dichloro-N-[2-[[(2E)-3-[2-(4,5-dihydro-5,6-diphenyl-1,2,4-triazin-3-yl)hydrazino]-1-phenyl-2-propenyl]thio]phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dichloro-N-[2-[(E)-3-[2-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)hydrazinyl]-1-phenylprop-2-enyl]sulfanylphenyl]benzamide",NA,"C1=CC=C(C=C1)C2C(=NNC(=N2)NNC=CC(C3=CC=CC=C3)SC4=CC=CC=C4NC(=O)C5=C(C=C(C=C5)Cl)Cl)C6=CC=CC=C6","DMLOPYUIVRRXDB-GHVJWSGMSA-N",5936348,NA,"PDBC31667","640633","Present",NA,NA
+"31668","Benzamide, 2-nitro-4-((6-nitro-4-quinolinyl)amino)-N-(4-(4-pyridinylamino)phenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 2-nitro-4-[(6-nitro-4-quinolinyl)amino]-N-[4-...",NA,"C1=CC(=CC=C1NC2=CC=NC=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=NC=C4)[N+](=O)[O-])[N+](=O)[O-]","YUOOWNPVFAMPNZ-UHFFFAOYSA-N",5236119,NA,"PDBC31668","202386","Present",NA,NA
+"31669","Benzamide, 3,4,5-trimethoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-oxobenzo(a)heptalen-7-yl)-, (S)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 3,4,5-trimethoxy-N-(5,6,7,9-tetrahydro-1,2,3,...",NA,"COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC","YWIKVBNQUVBQEN-UHFFFAOYSA-N",434718,NA,"PDBC31669","355256","Present",NA,NA
+"31670","Benzamide, 4,4'-dithiobis[2-chloro-5-[(3H-imidazo[4,5-b]pyridin-2-ylamino)sulfonyl]-N-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[5-chloro-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-(1H-imidazo[4,5-b]pyridin-2-ylsulfamoyl)-N-phenylbenzamide",NA,"C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2Cl)SSC3=C(C=C(C(=C3)Cl)C(=O)NC4=CC=CC=C4)S(=O)(=O)NC5=NC6=C(N5)C=CC=N6)S(=O)(=O)NC7=NC8=C(N7)C=CC=N8","UWUVKHYTJLEFHF-UHFFFAOYSA-N",397060,NA,"PDBC31670","704342","Present",NA,NA
+"31671","Benzamide, 4-(acetylamino)-N-(4-oxo-2-phenyl-3-thiazolidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 4-(acetylamino)-N-(4-oxo-2-phenyl-3-thiazolidinyl)-",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(SCC2=O)C3=CC=CC=C3","FDCZYVFCYYVZEY-UHFFFAOYSA-N",375544,NA,"PDBC31671","655332","Present",NA,NA
+"31672","Benzamide, 4-amino-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 4-amino-N-(2-methyl-4-oxo-3(4H)-quinazolinyl)-",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)N","JBWWDTDHGSKSEO-UHFFFAOYSA-N",376416,NA,"PDBC31672","657330","Present",NA,NA
+"31673","Benzamide, 4-amino-N-[(Z)-1-(6,11-dihydro-6,11-dioxo-3H-anthra[1,2-d]imidazol-2-yl)-2-(3-nitrophenyl)ethenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Amino-N-[(Z)-1-(6,11-dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)C(=CC5=CC(=CC=C5)[N+](=O)[O-])NC(=O)C6=CC=C(C=C6)N","JIJBKSPGDRDYFX-IWIPYMOSSA-N",5387512,NA,"PDBC31673","624414","Present",NA,NA
+"31674","Benzamide, 4-amino-N-[1-(6,11-dihydro-6,11-dioxo-3H-anthra[1,2-c]pyrazol-2-yl)-4-(2-furanyl)-1,3-butadienyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 4-amino-N-[1-(6,11-dihydro-6,11-dioxo-3H-anth...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=N4)C(=CC=CC5=CC=CO5)NC(=O)C6=CC=C(C=C6)N","NXYPOZHHRVRHCP-SRZODOGPSA-N",5387523,NA,"PDBC31674","624426","Present",NA,NA
+"31675","Benzamide, 4-nitro-N-[(phenylamino)thioxomethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, 4-nitro-N-[(phenylamino)thioxomethyl]- (9CI)",NA,"C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","CLUCQDRQMGVTGD-UHFFFAOYSA-N",763768,NA,"PDBC31675","131943","Present",NA,NA
+"31676","Benzamide, N,N'-[1,4-phenylenebis[(Z)-1-(5-nitro-1H-benzimidazol-2-yl)-2,1-ethenediyl]]bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-2-[4-[(Z)-2-Benzamido-2-(5-nitro-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(5-nitro-1H-benzimidazol-2-yl)ethenyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=C(N3)C=CC(=C4)[N+](=O)[O-])NC(=O)C5=CC=CC=C5)C6=NC7=C(N6)C=CC(=C7)[N+](=O)[O-]","ZMKQXKHGOTXVSE-NBDJWBGESA-N",135510070,NA,"PDBC31676","624429","Present",NA,NA
+"31677","Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-2-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- nitro...",NA,"C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)[N+](=O)[O-])[N+](=O)[O-]","HUXRBUKWTWHLEZ-UHFFFAOYSA-N",361311,NA,"PDBC31677","624285","Present",NA,NA
+"31678","Benzamide, N-(4,5-dioxo-1,3-diphenyl-2-imidazolidinylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-(4,5-dioxo-1,3-diphenyl-2-imidazolidinylidene)-",NA,"C1=CC=C(C=C1)C(=O)N=C2N(C(=O)C(=O)N2C3=CC=CC=C3)C4=CC=CC=C4","VEFUTPAZBSHDMO-UHFFFAOYSA-N",383264,NA,"PDBC31678","671378","Present",NA,NA
+"31679","Benzamide, N-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-(5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)-",NA,"CC1(CC(=CC(=O)C1)NC(=O)C2=CC=CC=C2)C","XAXJAVCKMWVKNB-UHFFFAOYSA-N",359535,NA,"PDBC31679","620518","Present",NA,NA
+"31680","Benzamide, N-[3-(phenylsulfonyl)-2-thienyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-[3-(phenylsulfonyl)-2-thienyl]-",NA,"C1=CC=C(C=C1)C(=O)NC2=C(C=CS2)S(=O)(=O)C3=CC=CC=C3","MUMNOQLMMQKDKJ-UHFFFAOYSA-N",392838,NA,"PDBC31680","693816","Present",NA,NA
+"31681","Benzamide, N-[[[3-[(5-chloro-2-pyrimidinyl)oxy]-4-methylphenyl]amino]carbonyl]-2,4-dinitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-[[[3-[(5-chloro-2-pyrimidinyl)oxy]-4- methy...",NA,"CC1=C(C=C(C=C1)NC(=O)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=NC=C(C=N3)Cl","SZAXVQXCAWBQNQ-UHFFFAOYSA-N",361503,NA,"PDBC31681","624547","Present",NA,NA
+"31682","Benzamide, N-[[[4-(3-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrrol-3-yl]carbonyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-[[[4-(3-methoxyphenyl)-2-methyl-5-phenyl- 1...",NA,"CC1=C(C(=C(N1)C2=CC=CC=C2)C3=CC(=CC=C3)OC)C(=O)ONC(=O)C4=CC=CC=C4","ZKERBMJBWOTKKI-UHFFFAOYSA-N",398160,NA,"PDBC31682","707692","Present",NA,NA
+"31683","Benzamide, m-(3,3-dimethyl-1-triazeno)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, m-(3,3-dimethyl-1-triazeno)-",NA,"CN(C)N=NC1=CC=CC(=C1)C(=O)N","XKCXZUQTZBASRF-UHFFFAOYSA-N",97649,NA,"PDBC31683","140017","Present",NA,NA
+"31684","Benzamide, p-(3,3-dimethyl-1-triazeno)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dm-conh2",NA,"CN(C)N=NC1=CC=C(C=C1)C(=O)N","NRVPCDAKWQWYRU-UHFFFAOYSA-N",93163,NA,"PDBC31684","86441","Present",NA,NA
+"31685","Benzamide,5-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-[5-(2-deoxy-.beta.-D-erythro-pentaofuranosy...",NA,"CC1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=N2)C3CC(C(O3)CO)O","CQWYJPHRKVKMEU-UHFFFAOYSA-N",296462,NA,"PDBC31685","166624","Present",NA,NA
+"31686","Benzamido 2-methyl-4-(4-methylphenyl)-5-phenyl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamido 2-methyl-5-phenyl-4-(p-tolyl)-1h-pyrrole-3-carboxylate",NA,"CC1=CC=C(C=C1)C2=C(NC(=C2C(=O)ONC(=O)C3=CC=CC=C3)C)C4=CC=CC=C4","XNLUNHUXOYLIKB-UHFFFAOYSA-N",398159,NA,"PDBC31686","707691","Present",NA,NA
+"31687","Benzamido 4-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamido 4-(4-chlorophenyl)-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate",NA,"CC1=C(C(=C(N1)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)ONC(=O)C4=CC=CC=C4","FKDRXMXTHPBZKI-UHFFFAOYSA-N",398161,NA,"PDBC31687","707693","Present",NA,NA
+"31688","Benzathine tenuazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzathine tenuazonate",NA,"CCC(C)C1C(=O)C(=C(C)O)C(=O)N1.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2","RJXIEKYGQXKCJL-NODMZVMPSA-N",135476764,NA,"PDBC31688","82260","Present",NA,NA
+"31689","Benzaurin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaurin",NA,"C1=CC=C(C=C1)C(=C2C=CC(=O)C=C2)C3=CC=C(C=C3)O","IWNZKMGBKBEPSO-UHFFFAOYSA-N",244745,NA,"PDBC31689","55861","Present",NA,NA
+"31690","Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, 4-(2-benzothiazolyl)-2-fluoro-",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)F","YPMSJWNNIBRQDS-UHFFFAOYSA-N",396815,NA,"PDBC31690","703788","Present",NA,NA
+"31691","Benzenamine, 4-(2-benzothiazolyl)-2-iodo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzothiazole, 2-(4-amino-3-iodophenyl)-",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)I","UZZOZUQVHHJNTR-UHFFFAOYSA-N",384526,NA,"PDBC31691","674496","Present",NA,NA
+"31692","Benzenamine, 4-(4-fluoro-2-benzothiazolyl)-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, 4-(4-fluoro-2-benzothiazolyl)-2-methyl-",NA,"CC1=C(C=CC(=C1)C2=NC3=C(C=CC=C3S2)F)N","ILHIPVYEKVGUKF-UHFFFAOYSA-N",397873,NA,"PDBC31692","706705","Present",NA,NA
+"31693","Benzenamine, 4-[2-(4-quinolinyl)ethenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-p-Diaminostyrylquinone",NA,"C1=CC=C2C(=C1)C(=CC=N2)C=CC3=CC=C(C=C3)N","ZAEBBDZNEDAXHL-VMPITWQZSA-N",5929136,NA,"PDBC31693","59065","Present",NA,NA
+"31694","Benzenamine, N-(2,3-dihydro-2-phenyl-1H-isoindol-1-ylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, N-(2,3-dihydro-2-phenyl-1H-isoindol-1-ylidene)-",NA,"C1C2=CC=CC=C2C(=NC3=CC=CC=C3)N1C4=CC=CC=C4","NYFZFDOLBPSPCL-UHFFFAOYSA-N",376359,NA,"PDBC31694","657191","Present",NA,NA
+"31695","Benzenamine, N-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]heptane-2,2'(5'H)-[1,3,4]oxadiazol]-5-ylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, N-(4,4,6-trimethylspiro[7-oxabicyclo[4.1.0]...",NA,"CC1(CC2(C(O2)C3(C1)N=NC(=NC4=CC=CC=C4)O3)C)C","MFTSRMJYWLCCSA-UHFFFAOYSA-N",329319,NA,"PDBC31695","311165","Present",NA,NA
+"31696","Benzenamine, N-(4-ethylphenyl)-2,4-dinitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, N-(4-ethylphenyl)-2,4-dinitro-",NA,"CCC1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","MYGPJNBHFKQYGJ-UHFFFAOYSA-N",363142,NA,"PDBC31696","627724","Present",NA,NA
+"31697","Benzenamine, hydrobromide, (2Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, N-[4-(4-chlorophenyl)-3-(2-propenyl)- 2(3H)...",NA,"COC1=CC=CC=C1N=C2N(C(=CS2)C3=CC=C(C=C3)Cl)CC=C.Br","HDROVGYYARQKOS-UHFFFAOYSA-N",396119,NA,"PDBC31697","701666","Present",NA,NA
+"31698","Benzenamine,1-dimethylethyl)-N-hydroxy-4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, N-(1,1-dimethylethyl)-N-hydroxy-4-methyl-",NA,"CC1=CC=C(C=C1)N(C(C)(C)C)O","QEUYWYSHPWRQMC-UHFFFAOYSA-N",300971,NA,"PDBC31698","176889","Present",NA,NA
+"31699","Benzenamine,10-dihydro-8-imino-7-methyl-10-phenyl-2-phenazinyl)azo]-N,N-dimethyl-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, 4-[(8,10-dihydro-8-imino-7-methyl-10-phenyl...",NA,"CC1=CC2=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)N(C)C)N(C2=CC1=N)C5=CC=CC=C5.Cl","GEKAQVYZDJWDOO-UHFFFAOYSA-N",24197339,NA,"PDBC31699","260642","Present",NA,NA
+"31700","Benzenamine,2-[[[2-(4-chlorophenyl)-4-thiazolyl]methyl]thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(((2-(4-Chlorophenyl)-1,3-thiazol-4-yl)methyl)thio)aniline",NA,"C1=CC=C(C(=C1)N)SCC2=CSC(=N2)C3=CC=C(C=C3)Cl","PGYRTAKPHAXCFJ-UHFFFAOYSA-N",329202,NA,"PDBC31700","310365","Present",NA,NA
+"31701","Benzenamine,N-bis(2-chloroethyl)-4-ethoxy-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, N,N-bis(2-chloroethyl)-4-ethoxy-, hydrochlo...",NA,"CCOC1=CC=C(C=C1)N(CCCl)CCCl.Cl","VZFGFONAKJJBAD-UHFFFAOYSA-N",21144784,NA,"PDBC31701","309455","Present",NA,NA
+"31702","Benzene, 1,1'-(dinitroethenylidene)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dinitro-2,2-diphenylethene",NA,"C1=CC=C(C=C1)C(=C([N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2","WBSRCMFCSNWTFZ-UHFFFAOYSA-N",363694,NA,"PDBC31702","628809","Present",NA,NA
+"31703","Benzene, 1,2-bis(2-pyridin-2-ylethynyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1,2-bis(2-pyridin-2-ylethynyl)-",NA,"C1=CC=C(C(=C1)C#CC2=CC=CC=N2)C#CC3=CC=CC=N3","FNUCEKUSUXIHOK-UHFFFAOYSA-N",624485,NA,"PDBC31703","727183","Present",NA,NA
+"31704","Benzene, 1,5-bis(1,2-dichloro-2-phenylethyl)-2,4-dinitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1,5-bis(1,2-dichloro-2-phenylethyl)-2,4-dinitro-",NA,"C1=CC=C(C=C1)C(C(C2=CC(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(C(C3=CC=CC=C3)Cl)Cl)Cl)Cl","BCPUHZDSXYHLJT-UHFFFAOYSA-N",367122,NA,"PDBC31704","636509","Present",NA,NA
+"31705","Benzene, 1-(2,4-dimethylphenoxy)-2,4-dinitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1-(2,4-dimethylphenoxy)-2,4-dinitro-",NA,"CC1=CC(=C(C=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C","DQCCAZBFAZSFDZ-UHFFFAOYSA-N",363141,NA,"PDBC31705","627723","Present",NA,NA
+"31706","Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1-[(4-methylphenyl)sulfinyl]-2-nitro-",NA,"CC1=CC=C(C=C1)S(=O)C2=CC=CC=C2[N+](=O)[O-]","NLGBOIUKPNEXTR-UHFFFAOYSA-N",364238,NA,"PDBC31706","630142","Present",NA,NA
+"31707","Benzene, 1-methyl-4-(phenylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenyl p-tolyl sulfone",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2","YBRXHRWLEFCFEG-UHFFFAOYSA-N",69497,NA,"PDBC31707","2724","Present",NA,NA
+"31708","Benzene, 1-nitro-2-(phenylsulfinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1-nitro-2-(phenylsulfinyl)-",NA,"C1=CC=C(C=C1)S(=O)C2=CC=CC=C2[N+](=O)[O-]","UQDQXWRDAPUTAL-UHFFFAOYSA-N",364237,NA,"PDBC31708","630141","Present",NA,NA
+"31709","Benzene,2-dichloro-4-(2-nitroethenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"styrene, 3,4-dichloro-.beta.-nitro- (8ci)",NA,"C1=CC(=C(C=C1C=C[N+](=O)[O-])Cl)Cl","XHGCFWXSHIHYFH-ARJAWSKDSA-N",54605559,NA,"PDBC31709","38663","Present",NA,NA
+"31710","Benzene-1, N,N'-bis[3-[(dimethylamino)methyl]-5-[(2-chloroethyl)ethylamino]phenyl]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene-1,4-dicarboxamide, N,N'-bis[3-[(dimethylamino)me...",NA,"CCN(CCCl)C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC(=CC(=C3)CN(C)C)N(CC)CCCl)CN(C)C.Cl","ONFXWKXZNKTVMR-UHFFFAOYSA-N",382447,NA,"PDBC31710","670013","Present",NA,NA
+"31711","Benzeneacetamide, N-(3-chloro-2-oxo-4-phenyl-1-azetidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-oxo-4-phenylazetidin-1-yl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3","AMRYZKMLZXCTLW-UHFFFAOYSA-N",373545,NA,"PDBC31711","649998","Present",NA,NA
+"31712","Benzeneacetamide,4-dichloro-N-methyl-N-[3-[(methyl)[3-(1-pyrrolidinyl)propyl]amino]propyl]-, diethanedioate (dioxalate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzeneacetamide, 3,4-dichloro-N-methyl-N-[3- [(methyl)[...",NA,"CN(CCCN1CCCC1)CCCN(C)C(=O)CC2=CC(=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O","XRCGZXVKXPERLL-UHFFFAOYSA-N",398603,NA,"PDBC31712","708559","Present",NA,NA
+"31713","Benzeneacetic acid, 2-methoxy-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 1-methylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzeneacetic acid, 2-methoxy-5-[[(2-methyl-3-furanyl) t...",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)OC)CC(=O)OC(C)C","SGKMPSZPIABAFD-UHFFFAOYSA-N",3000952,NA,"PDBC31713","650058","Present",NA,NA
+"31714","Benzeneamine, N,N-dimethyl-4-[[3-methyl-2-(methylimino)-1,3-thiazetidin-4-ylidene]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzeneamine, N,N-dimethyl-4-[[3-methyl-2-(methylimino)-...",NA,"CN=C1N(C(=NC2=CC=C(C=C2)N(C)C)S1)C","KWDHPBLNQJZMDU-UHFFFAOYSA-N",364039,NA,"PDBC31714","629655","Present",NA,NA
+"31715","Benzenebismaleimide adduct",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mitindomide",NA,"C1=CC2C3C(C1C4C2C(=O)NC4=O)C5C3C(=O)NC5=O","DRCJGCOYHLTVNR-UHFFFAOYSA-N",323533,NA,"PDBC31715","284356","Present",NA,NA
+"31716","Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro-ethyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenebutanamide, N-(phenylmethyl)-4-bis(2-chloro- ethy...",NA,"C1=CC=C(C=C1)CNC(=O)CCCC2=CC=C(C=C2)N(CCCl)CCCl","OJZUKCOMYQAOMB-UHFFFAOYSA-N",278929,NA,"PDBC31716","128887","Present",NA,NA
+"31717","Benzenecarbothioamide, N-hydroxy-N-(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ODICBYUPKZRFOG-UHFFFAOYSA-",NA,"C1=CC=C(C=C1)CN(C(=S)C2=CC=CC=C2)O","ODICBYUPKZRFOG-UHFFFAOYSA-N",371712,NA,"PDBC31717","646160","Present",NA,NA
+"31718","Benzenecarbothioamide,1-dimethylethoxy)imino]methyl]phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenecarbothioamide, N-[4-chloro-3-[[(1,1-dimethyletho...",NA,"CC(C)(C)ON=CC1=C(C=CC(=C1)NC(=S)C2=CC=CC=C2)Cl","LHSQNTXAIGVGEO-UDWIEESQSA-N",5351399,NA,"PDBC31718","645547","Present",NA,NA
+"31719","Benzenecarboximidamide, 4-methyl-N'-phenyl-N-(triphenylphosphoranylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenecarboximidamide, 4-methyl-N'-phenyl-N-(triphenylp...",NA,"CC1=CC=C(C=C1)C(=NC2=CC=CC=C2)N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5","GRKPHEIHPBJWHB-UHFFFAOYSA-N",327782,NA,"PDBC31719","304400","Present",NA,NA
+"31720","Benzenecarboximidamide,4'-[(2,6-dihydroxy-1,5-naphthalenediyl)bis(azo)]bis-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenecarboximidamide, 4,4'-[(2,6-dihydroxy-1,5-naphtha...",NA,"C1=CC(=CC=C1C(=N)N)N=NC2=C(C=CC3=C2C=CC(=C3)O)O.Cl","OFNKMZVVBWLRPK-UHFFFAOYSA-N",135502355,NA,"PDBC31720","356821","Present",NA,NA
+"31721","Benzenecarboximidothioic acid, anhydrosulfide with diethylcarbamodithioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenecarboximidothioic acid, N-[(diethylamino) thioxom...",NA,"CCN(CC)C(=S)N=C(C1=CC=CC=C1)SC(=S)N(CC)CC","ICYQVTHBPCBIFP-SDXDJHTJSA-N",5924114,NA,"PDBC31721","694569","Present",NA,NA
+"31722","Benzeneethanamine, 3,4-dimethoxy-N-(2,3-dimethoxybenzyl)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzeneethanamine, 3,4-dimethoxy-N-(2,3-dimethoxybenzyl)",NA,"COC1=C(C=C(C=C1)CCNCC2=C(C(=CC=C2)OC)OC)OC","RZNLZECAKUHOIU-UHFFFAOYSA-N",361499,NA,"PDBC31722","624536","Present",NA,NA
+"31723","Benzeneethanamine, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzeneethanamine, 4-[bis(2-chloroethyl)amino]-, monohyd...",NA,"C1=CC(=CC=C1CCN)N(CCCl)CCCl.Cl","YFXVBSNLPLQRNQ-UHFFFAOYSA-N",21123049,NA,"PDBC31723","240533","Present",NA,NA
+"31724","Benzeneethanamine,4-dimethyl-, sulfate (2:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzeneethanamine, .alpha.,4-dimethyl-, sulfate (2:1) (9CI)",NA,"CC1=CC=C(C=C1)CC(C)N.OS(=O)(=O)O","YYRWBLJJRRBQDK-UHFFFAOYSA-N",21151535,NA,"PDBC31724","27114","Present",NA,NA
+"31725","Benzeneethanol, alpha-(3,4-dimethoxyphenyl)-beta-(1H-imidazol-1-ylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-Dimethoxyphenyl)-3-imidazol-1-yl-2-phenyl-prop-2-en-1-ol",NA,"COC1=C(C=C(C=C1)C(C(=CN2C=CN=C2)C3=CC=CC=C3)O)OC","IKCJARORQJCFIF-GHRIWEEISA-N",3003534,NA,"PDBC31725","649315","Present",NA,NA
+"31726","Benzenemethanamine,N'-(1,1'-biphenyl]-2,2'-diyldimethylidyne)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenemethanamine, N,N'-(1,1'-biphenyl]-2,2'-diyldimeth...",NA,"C1=CC=C(C=C1)CN=CC2=CC=CC=C2C3=CC=CC=C3C=NCC4=CC=CC=C4","RWFUQMSVHGTTMK-UHFFFAOYSA-N",424649,NA,"PDBC31726","167172","Present",NA,NA
+"31727","Benzenemethanesulfonothioic acid, S-(phenylmethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LAVBKIWRWNKSGD-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)CSS(=O)(=O)CC2=CC=CC=C2","LAVBKIWRWNKSGD-UHFFFAOYSA-N",252586,NA,"PDBC31727","74663","Present",NA,NA
+"31728","Benzenemethanol, 2-amino-5-(2-benzothiazolyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenemethanol, 2-amino-5-(2-benzothiazolyl)-",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)N)CO","HKANFMMEESOKLQ-UHFFFAOYSA-N",397506,NA,"PDBC31728","705627","Present",NA,NA
+"31729","Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenepropanamide, 3,4,5-trimethoxy-N-(phenylsulfonyl)-",NA,"COC1=CC(=CC(=C1OC)OC)CCC(=O)NS(=O)(=O)C2=CC=CC=C2","UBSZOLJIGJFDFI-UHFFFAOYSA-N",357771,NA,"PDBC31729","617294","Present",NA,NA
+"31730","Benzenepropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenepropanoic acid",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)CCC(=O)O)C)OC(=O)C","NZQWSYQBMNULIX-CDQLBASDSA-N",6711255,NA,"PDBC31730","600222","Present",NA,NA
+"31731","Benzenepropenoic acid, 4-(acetylamino)phenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[3-[4-(acetylamino)phenoxy]-3-oxy-1- pro...",NA,"CC(=O)NC1=CC=C(C=C1)OC(=O)C=CC2=CC(=C(C=C2)C(=O)OCC3=CC=CC=C3)OC","BQLNPVBRBGENOF-OQLLNIDSSA-N",5904969,NA,"PDBC31731","626885","Present",NA,NA
+"31732","Benzenepropenoic acid, phenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenepropenoic acid, 3-methoxy-4-[(phenylethenyloxy) c...",NA,"COC1=C(C=CC(=C1)C=CC(=O)OC2=CC=CC=C2)C(=O)OC=CC3=CC=CC=C3","KWKVWLLCZGKCMZ-TZSXFDEBSA-N",5909308,NA,"PDBC31732","626883","Present",NA,NA
+"31733","Benzenesulfonamide, 4-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, 4-(4,5-dioxo-3-phenyl-2-thioxo-1-imidazolidinyl)-",NA,"C1=CC=C(C=C1)N2C(=O)C(=O)N(C2=S)C3=CC=C(C=C3)S(=O)(=O)N","JJSZFFMWZHQMED-UHFFFAOYSA-N",383271,NA,"PDBC31733","671385","Present",NA,NA
+"31734","Benzenesulfonamide, 4-[(9-acridinylmethyl)amino]-N-(aminoiminomethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, 4-[(9-acridinylmethyl)amino]-N-(amin...",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","RXMJKDVBBVPVDA-UHFFFAOYSA-N",335981,NA,"PDBC31734","348894","Present",NA,NA
+"31735","Benzenesulfonamide, 4-[[[(diethylamino)thioxomethyl]thio]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, 4-[[[(diethylamino)thioxomethyl]thio...",NA,"CCN(CC)C(=S)SNC1=CC=C(C=C1)S(=O)(=O)N","GSPMZBWPTQFMMF-UHFFFAOYSA-N",395822,NA,"PDBC31735","700714","Present",NA,NA
+"31736","Benzenesulfonamide, N,N,4-trimethyl-3-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-toluenesulfonamide, n,n-dimethyl-3-nitro- (8ci)",NA,"CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)[N+](=O)[O-]","HUMQVESBHAREIH-UHFFFAOYSA-N",66778,NA,"PDBC31736","37003","Present",NA,NA
+"31737","Benzenesulfonamide, N-[[(2-methoxyphenyl)amino]carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, N-[[(2-methoxyphenyl)amino]carbonyl]-",NA,"COC1=CC=CC=C1NC(=O)NS(=O)(=O)C2=CC=CC=C2","GCJARYIZMAZEMN-UHFFFAOYSA-N",360364,NA,"PDBC31737","622424","Present",NA,NA
+"31738","Benzenesulfonamide, p-(3,3-dimethyl-1-triazeno)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, p-(3,3-dimethyl-1-triazeno)-",NA,"CN(C)N=NC1=CC=C(C=C1)S(=O)(=O)N","IFQFVDMOGCFZIF-UHFFFAOYSA-N",94575,NA,"PDBC31738","157030","Present",NA,NA
+"31739","Benzenesulfonamide, p-[[(2-aminopurin-6-yl)thio]azo]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, p-[[(2-aminopurin-6-yl)thio]azo]-",NA,"C1=CC(=CC=C1N=NSC2=NC(=NC3=C2NC=N3)N)S(=O)(=O)N","UGWIMXFQSCFSHQ-UHFFFAOYSA-N",4642645,NA,"PDBC31739","77502","Present",NA,NA
+"31740","Benzenesulfonamide,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)-N-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, 4-(1,4,5,6,7,7-hexachlorobicyclo[2.2...",NA,"C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=C4","MTHHBKGUMCTKRN-UHFFFAOYSA-N",232421,NA,"PDBC31740","29828","Present",NA,NA
+"31741","Benzenesulfonamide,4-dioxo-2-naphthyl]]-, hydroxy, inner salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, N-[3-[1-[4-(phenylcarbonyl)pyridinyl...",NA,"C1=CC=C(C=C1)C(=C2C=C[N+](=C3C(=NS(=O)(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)C=C2)[O-]","QYIOCQCFJBHHCB-UHFFFAOYSA-N",9571593,NA,"PDBC31741","685895","Present",NA,NA
+"31742","Benzenesulfonic acid,2'-bis[[4-[[4-[(3-sulfophenyl)azo]-2-methoxyphenyl]azo]-2-sulfophenyl]-1,2-ethenediyl]-5,5'-oxadiaziridinediyl-, hexasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonic acid, 2,2'-bis[[4-[[4-[(3-sulfophenyl)az...",NA,"COC1=C(C=CC(=C1)N=NC2=CC(=CC=C2)S(=O)(=O)O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N5N(O5)C6=CC(=C(C=C6)C=CC7=C(C=C(C=C7)N=NC8=C(C=C(C=C8)N=NC9=CC(=CC=C9)S(=O)(=O)O)OC)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","YPNYXFAKQVJCGB-KINJUSCWSA-N",54605357,NA,"PDBC31742","35613","Present",NA,NA
+"31743","Benzenesulfonic acid,3'-[(phenylamino)carbonyl]-3,4-tetra-zolium]bis(4-methoxy-6-nitro)-, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzenesulfonic acid, 3,3'-[(phenylamino)carbonyl]-3,4-t...",NA,"COC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC4=CC=CC=C4)S(=O)(=O)O)[N+](=O)[O-].[Na+]","JACYMBNQPPWQML-UHFFFAOYSA-N",54608586,NA,"PDBC31743","601519","Present",NA,NA
+"31744","Benzenesulfonic acid,3'-azoxybis[6-[2-[2-sulfo-4-[[4-[(4-sulfophenyl)azo]naphthalenyl]azo]phenyl]ethenyl]-, hexasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonic acid, 3,3'-azoxybis[6-[2-[2-sulfo-4-[[4-...",NA,"C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=[N+](C5=CC(=C(C=C5)C=CC6=C(C=C(C=C6)N=NC7=CC=C(C8=CC=CC=C87)N=NC9=CC=C(C=C9)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O)N=NC1=CC=C(C=C1)S(=O)(=O)O.[Na+]","HKLKMEOWLJQKMJ-DOCFCHSNSA-N",54598507,NA,"PDBC31744","35616","Present",NA,NA
+"31745","Benzenesulfonic acid,5-cyclohexadien-1-ylidene)methyl]-, platinum complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, (1,2-cyclohexanediamine-N,N')bis[2-[(3-bromo- ...",NA,"C1CCC(C(C1)N)N.C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)Br)C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].C1=CC=C(C(=C1)C(=C2C=CC(=O)C(=C2)Br)C3=CC(=C(C=C3)O)Br)S(=O)(=O)[O-].[Pt+4]","HTVOVHCTWVQJGK-SKFNRWCWSA-L",24201992,NA,"PDBC31745","615592","Present",NA,NA
+"31746","Benzenesulfonic acid;N-benzo[g]quinoxalin-3-yl-N',N'-dimethylpropane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonic acid;N-benzo[g]quinoxalin-3-yl-N',N'-dimethylpropane-1,3-diamine",NA,"CN(C)CCCNC1=NC2=CC3=CC=CC=C3C=C2N=C1.C1=CC=C(C=C1)S(=O)(=O)O","PVFKXRQRELGFJW-UHFFFAOYSA-N",393611,NA,"PDBC31746","695803","Present",NA,NA
+"31747","Benzenesulfonothioic acid,2-butene-1,4-diyl ester, (Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonothioic acid, 4-methyl-,2-butene-1,4-diyl e...///NSC624159",NA,"CC1=CC=C(C=C1)S(=O)(=O)SCC=CCSS(=O)(=O)C2=CC=C(C=C2)C","MMBKGPMCUOXQRM-ARJAWSKDSA-N",5387485,NA,"PDBC31747","624158///624159","Present",NA,NA
+"31748","Benzenethiol, methyl-, mercury(2+) salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenethiol, methyl-, mercury(2+) salt",NA,NA,NA,NA,NA,"PDBC31748","174137","Present",NA,NA
+"31749","Benzhydryl imidothiocarbamate 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzhydryl carbamimidothioate;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)C(C2=CC=CC=C2)SC(=N)N","FMZUXYWDHIAQGT-UHFFFAOYSA-N",220442,NA,"PDBC31749","3204","Present",NA,NA
+"31750","Benzhydrylsulfonylsulfanylmethylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzhydrylsulfonylsulfanylmethylbenzene",NA,"C1=CC=C(C=C1)CSS(=O)(=O)C(C2=CC=CC=C2)C3=CC=CC=C3","XINRYQIHCBXJRR-UHFFFAOYSA-N",241855,NA,"PDBC31750","49733","Present",NA,NA
+"31751","Benzidine sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzidine sulfone",NA,"C1=CC2=C(C=C1N)S(=O)(=O)C3=C2C=CC(=C3)N","FUXZRRZSHWQAAA-UHFFFAOYSA-N",80412,NA,"PDBC31751","13966","Present",NA,NA
+"31752","Benzilic acid, 2,2-dimethyl-4-ethyl-3-piperidinocyclobutyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-55920",NA,"CCC1C(C(C1OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)(C)C)N4CCCCC4","ORGGZMATFTXBQJ-UHFFFAOYSA-N",58160,NA,"PDBC31752","665731","Present",NA,NA
+"31753","Benzimidazo[1,2-c]quinazolin-6(12h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzimidazo[1,2-c]quinazolin-6(12h)-one",NA,"C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N3C(=O)N2","FXLMBSXEKAGOTM-UHFFFAOYSA-N",135431964,NA,"PDBC31753","124202","Present",NA,NA
+"31754","Benzimidazole derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzimidazole derivative",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=CC=C(C=C4)F","TUEVGHMVASKCCE-UHFFFAOYSA-N",361994,NA,"PDBC31754","625473","Present",NA,NA
+"31755","Benzimidazole thiophene analogue, 58",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1030062A",NA,"CN(C)C(=O)C1=C(C=C(S1)N2C=NC3=CC(=C(C=C32)OC)OC)OCC4=CC=CC=C4C(F)(F)F","CKYDKNBLVBVPCS-UHFFFAOYSA-N",25263116,NA,"PDBC31755","756138","Present",NA,NA
+"31756","Benzimidazole thiosemicarbazone derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzimidazole thiosemicarbazone derivative",NA,"CC(=NNC(=S)NC1=CC=CC=C1)C2=NC3=C(N2)C=C(C=C3)Cl","JHYAWTAJVUIOAY-FBHDLOMBSA-N",136040129,NA,"PDBC31756","753140","Present",NA,NA
+"31757","Benzimidazole, 5,5'-dithiobis(2-(trifluoromethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazole, 5,5'-dithiobis[2-(trifluoromethyl)- (9CI)",NA,"C1=CC2=C(C=C1SSC3=CC4=C(C=C3)N=C(N4)C(F)(F)F)NC(=N2)C(F)(F)F","BJIWXWHVTJMLCI-UHFFFAOYSA-N",59453,NA,"PDBC31757","659162","Present",NA,NA
+"31758","Benzimidazole, 5,6-dimethyl-2-mercaptomethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t56 bm dnj c1sh g1 h1",NA,"CC1=CC2=C(C=C1C)N=C(N2)CS","PXPXXPJORACKKN-UHFFFAOYSA-N",52210,NA,"PDBC31758","97104","Present",NA,NA
+"31759","Benzimidazole-urea, 15",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW694590A",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4","LSYSLIJSKJGOJX-UHFFFAOYSA-N",17755137,NA,"PDBC31759","756319","Present",NA,NA
+"31760","Benzimidazole-urea, 19",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW673715X",NA,"CCC1=CC(=CC=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC4=C(C=C3)N=C(N4)NC(=O)OC","IDBPJJQGJZOVMW-UHFFFAOYSA-N",10160775,NA,"PDBC31760","756303","Present",NA,NA
+"31761","Benzimidazole-urea, 20",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW694234A",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Br","MZWXPLVBKPHKNC-UHFFFAOYSA-N",10163749,NA,"PDBC31761","756318","Present",NA,NA
+"31762","Benzimidazole-urea, 30",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW659386A",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=CC(=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F","LQCMQMYFSPQXKA-UHFFFAOYSA-N",10300768,NA,"PDBC31762","756301","Present",NA,NA
+"31763","Benzimidazole-urea, 34",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW607049C",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F","KBJVFZCXZGSCFO-UHFFFAOYSA-N",10186269,NA,"PDBC31763","756276","Present",NA,NA
+"31764","Benzimidazole-urea, 36",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW680908A",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F","RJOBEDHRAOYOQX-UHFFFAOYSA-N",10280848,NA,"PDBC31764","756307","Present",NA,NA
+"31765","Benzimidazole-urea, 47",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW709042A",NA,"C1=CC=C(C=C1)C(=O)NC2=NC3=C(N2)C=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F","BUBCSTHPMRUDOR-UHFFFAOYSA-N",17755232,NA,"PDBC31765","756327","Present",NA,NA
+"31766","Benzimidazole-urea, 49",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW683134A",NA,"C1=COC(=C1)C(=O)NC2=NC3=C(N2)C=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F","ODKIFGJQIHHLAP-UHFFFAOYSA-N",10230568,NA,"PDBC31766","756312","Present",NA,NA
+"31767","Benziodarone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Algocor",NA,"CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)O)I","CZCHIEJNWPNBDE-UHFFFAOYSA-N",6237,NA,"PDBC31767","82133","Present",NA,NA
+"31768","Benzo(1,2,3)triazolium-trans-tetrachlorobis-benzo(1,2,3)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo(1,2,3)triazolium-trans-tetrachlorobis-benzo(1,2,3)...",NA,NA,NA,NA,NA,"PDBC31768","630113","Present",NA,NA
+"31769","Benzo(A)pyrene-6,12-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BP-6,12-Quinone",NA,"C1=CC=C2C(=C1)C3=CC(=O)C4=CC=CC5=C4C3=C(C2=O)C=C5","HSJQJGAVYCLWJA-UHFFFAOYSA-N",18299,NA,"PDBC31769","625589","Present",NA,NA
+"31770","Benzo(a)phenazine-8-carboxamide, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo(a)phenazine-8-carboxamide, N-[2-(dimethylamino)eth...",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC4=CC=CC=C43.Cl","MVTQGXKGLAHXIT-UHFFFAOYSA-N",358150,NA,"PDBC31770","617976","Present",NA,NA
+"31771","Benzo(f)quinazoline, 3-guanidino-1-methyl-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t b666 dn fnj c1 emym&z &gh",NA,"CC1=C2C(=NC(=N1)N=C(N)N)C=CC3=CC=CC=C32.Cl","OSIPRQQLLSQBDZ-UHFFFAOYSA-N",200222,NA,"PDBC31771","96641","Present",NA,NA
+"31772","Benzo(g)(2)benzopyrano(4,3-b)indol-5(13H)-one, 13-(3-(dimethylamino)propyl)-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g][2]benzopyrano[4,3-b]indol-5-one, 5,13-dihydro-1...",NA,"CN(C)CCCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4.Cl","NRPKZBJQMMCLPA-UHFFFAOYSA-N",368090,NA,"PDBC31772","638432","Present",NA,NA
+"31773","Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-hydroxyethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-hydroxyet...",NA,"CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3)O","ICOJWFLYZGAGHZ-UHFFFAOYSA-N",391375,NA,"PDBC31773","690432","Present",NA,NA
+"31774","Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-acetyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-acetyl-",NA,"CC(=O)C1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3","TYNBBESGBCIKHW-UHFFFAOYSA-N",388028,NA,"PDBC31774","682453","Present",NA,NA
+"31775","Benzo[1,3-b']dithiophene-4,8-dione, 3,7-bis(acetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,3-b']dithiophene-4,8-dione, 3,7-bis(acetyl)-",NA,"CC(=O)C1=CSC2=C1C(=O)C3=C(C2=O)C(=CS3)C(=O)C","OLPKQNGXYIVIEM-UHFFFAOYSA-N",376542,NA,"PDBC31775","657547","Present",NA,NA
+"31776","Benzo[1,4-b']dithiophene-2-carboxylic acid, 4,8-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:5,4-b']dithiophene-2-carboxylic acid, 4,8-di...",NA,"C1=CSC2=C1C(=O)C3=C(C2=O)SC(=C3)C(=O)O","WTAUYWUADNKEOY-UHFFFAOYSA-N",375906,NA,"PDBC31776","656243","Present",NA,NA
+"31777","Benzo[1,4-b']dithiophene-4,8-dione, 2,5-bis(1-acetoxyethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-bis(1-acet...",NA,"CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C(=CS3)C(C)OC(=O)C)OC(=O)C","JFEMGTTXNHRUOR-UHFFFAOYSA-N",391378,NA,"PDBC31777","690435","Present",NA,NA
+"31778","Benzo[1,4-b']dithiophene-4,8-dione, 2,5-bis(1-hydroxyethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-bis(1-hydr...",NA,"CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C(=CS3)C(C)O)O","SBHSPVCXPBMFDR-UHFFFAOYSA-N",391376,NA,"PDBC31778","690433","Present",NA,NA
+"31779","Benzo[1,4-b']dithiophene-4,8-dione, 2,5-diacetyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2,5-diacetyl-",NA,"CC(=O)C1=CC2=C(S1)C(=O)C3=C(C2=O)C(=CS3)C(=O)C","MNVOCRYKCUHENV-UHFFFAOYSA-N",388027,NA,"PDBC31779","682452","Present",NA,NA
+"31780","Benzo[1,4-b']dithiophene-4,8-dione, 2-(1-acetoxyethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 2-(1-acetoxyet...",NA,"CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)C=CS3)OC(=O)C","LFJAPIMLXGZSSZ-UHFFFAOYSA-N",391377,NA,"PDBC31780","690434","Present",NA,NA
+"31781","Benzo[1,4-b']dithiophene-4,8-dione, 3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:5,4-b']dithiophene-4,8-dione, 3-methyl-",NA,"CC1=CSC2=C1C(=O)C3=C(C2=O)SC=C3","VCOYOLYOUCACDJ-UHFFFAOYSA-N",375907,NA,"PDBC31781","656244","Present",NA,NA
+"31782","Benzo[1,5-b']-dithiophene-4,8-dione, 2,6-dinitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']-dithiophene-4,8-dione, 2,6-dinitro-",NA,"C1=C(SC2=C1C(=O)C3=C(C2=O)C=C(S3)[N+](=O)[O-])[N+](=O)[O-]","JINIASJFBXDUOB-UHFFFAOYSA-N",388301,NA,"PDBC31782","682991","Present",NA,NA
+"31783","Benzo[1,5-b']-dithiophene-4,8-dione, 2-[(3-thienyl)carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']-dithiophene-4,8-dione, 2-[(3-thienyl...",NA,"C1=CSC=C1C(=O)C2=CC3=C(S2)C(=O)C4=C(C3=O)SC=C4","AQEGJFFVCJQZAY-UHFFFAOYSA-N",388302,NA,"PDBC31783","682992","Present",NA,NA
+"31784","Benzo[1,5-b']dithiophene-4,8-diol, diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']dithiophene-4,8-diol, diacetate",NA,"CC(=O)OC1=C2C=CSC2=C(C3=C1SC=C3)OC(=O)C","SCLGEDXTEAKPFK-UHFFFAOYSA-N",393649,NA,"PDBC31784","695914","Present",NA,NA
+"31785","Benzo[1,5-b']dithiophene-4,8-diol, dipropionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']dithiophene-4,8-diol, dipropionate",NA,"CCC(=O)OC1=C2C=CSC2=C(C3=C1SC=C3)OC(=O)CC","OVFXCBKEPLFEQJ-UHFFFAOYSA-N",388303,NA,"PDBC31785","682993","Present",NA,NA
+"31786","Benzo[1,5-b']dithiophene-4,8-diol,diester with butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']dithiophene-4,8-diol,diester with but...",NA,"CCCC(=O)OC1=C2C=CSC2=C(C3=C1SC=C3)OC(=O)CCC","UAMSHYUZUQTIGN-UHFFFAOYSA-N",388304,NA,"PDBC31786","682994","Present",NA,NA
+"31787","Benzo[1,5-b']dithiophene-4,8-dione, 2,7-dinitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2,7-dinitro-",NA,"C1=C(SC2=C1C(=O)C3=C(C2=O)C(=CS3)[N+](=O)[O-])[N+](=O)[O-]","ZPTJGLPQTLNGGS-UHFFFAOYSA-N",387769,NA,"PDBC31787","681823","Present",NA,NA
+"31788","Benzo[1,5-b']dithiophene-4,8-dione, 2-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:4,5-b']dithiophene-4,8-dione, 2-nitro-",NA,"C1=CSC2=C1C(=O)C3=C(C2=O)C=C(S3)[N+](=O)[O-]","MTFATHXVPHMWKS-UHFFFAOYSA-N",387770,NA,"PDBC31788","681824","Present",NA,NA
+"31789","Benzo[5,6]cycloocta[1,2-b]thiophen-11(4H)-one, 5,10-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[5,6]cycloocta[1,2-b]thiophen-11(4H)-one, 5,10-dihydro-",NA,"C1CC2=CC=CC=C2CC(=O)C3=C1C=CS3","MYHIITZSHOPFLN-UHFFFAOYSA-N",375812,NA,"PDBC31789","655974","Present",NA,NA
+"31790","Benzo[7,8]indolizino[2,3-b]quinoxaline-14-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[7,8]indolizino[2,3-b]quinoxaline-14-carbonitrile",NA,"C1=CC=C2C(=C1)C=CN3C2=C(C4=NC5=CC=CC=C5N=C43)C#N","SMVIZDJMEDIIJZ-UHFFFAOYSA-N",375327,NA,"PDBC31790","654901","Present",NA,NA
+"31791","Benzo[a]pyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4-Benzpyrene",NA,"C1=CC=C2C3=C4C(=CC2=C1)C=CC5=C4C(=CC=C5)C=C3","FMMWHPNWAFZXNH-UHFFFAOYSA-N",2336,NA,"PDBC31791","21914","Present",NA,NA
+"31792","Benzo[a]quinolizinium,7-dihydro-2,4,7-triphenyl-, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[a]quinolizinium, 7-bromo-6,7-dihydro- 2,4,7-triphe...",NA,"C1C(C2=CC=CC=C2C3=CC(=CC(=[N+]31)C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)Br.[Br-]","LOKICLTWFFRFII-UHFFFAOYSA-M",386208,NA,"PDBC31792","677924","Present",NA,NA
+"31793","Benzo[b][1, 10,10'-hexamethylene-bis[2,4-dimethyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[b][1,8]naphthyridin-5-imine, 10,10'-hexamethylene-...",NA,"CC1=CC(=NC2=C1C(=N)C3=CC=CC=C3N2CCCCCCN4C5=CC=CC=C5C(=N)C6=C4N=C(C=C6C)C)C.Cl","NQLXJPDBJKSZIP-UHFFFAOYSA-N",387544,NA,"PDBC31793","681454","Present",NA,NA
+"31794","Benzo[b][1,4]benzothiazepin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5NHF6LM7CK",NA,"C1=CC=C2C(=C1)C(=NC3=CC=CC=C3S2)N","HTGHLKRKXHUWOW-UHFFFAOYSA-N",374037,NA,"PDBC31794","651216","Present",NA,NA
+"31795","Benzo[b][1,7]phenanthrolin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[b][1,7]phenanthrolin-7-amine",NA,"C1=CC=C2C(=C1)C(=C3C=CC4=C(C3=N2)C=CC=N4)N","RHRDMKUIKRPSNC-UHFFFAOYSA-N",391990,NA,"PDBC31795","691779","Present",NA,NA
+"31796","Benzo[b]biphenylene-5,10-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[b]biphenylene-5,10-dicarboxylic acid",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C(=C23)C(=O)O)C(=O)O","VRIUCJHAQZKLLG-UHFFFAOYSA-N",363544,NA,"PDBC31796","628509","Present",NA,NA
+"31797","Benzo[b]quinolizinium, 6-methyl-bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[b]quinolizinium, 6-methyl- bromide",NA,"CC1=[N+]2C=CC=CC2=CC3=CC=CC=C13.[Br-]","UGLNRXTUFNEJJL-UHFFFAOYSA-M",19921723,NA,"PDBC31797","77809","Present",NA,NA
+"31798","Benzo[b]thiophene-3-acetonitrile, alpha-(4-pyridinylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[b]thiophene-3-acetonitrile, .alpha.-(4-pyridinylme...",NA,"C1=CC=C2C(=C1)C(=CS2)C(=CC3=CC=NC=C3)C#N","IWQPSCNFGMEEFM-UKTHLTGXSA-N",5358750,NA,"PDBC31798","176334","Present",NA,NA
+"31799","Benzo[c][1,3]dioxolo[4,5-j]phenanthridin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[c][1,3]dioxolo[4,5-j]phenanthridin-6-ol",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C5=CC=CC=C5C=C4)NC3=O","BTCMFYBRRRWIKA-UHFFFAOYSA-N",362555,NA,"PDBC31799","626630","Present",NA,NA
+"31800","Benzo[c]phenanthridinium,12-dihydroxy-3,8,9-trimethoxy-5-methyl-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[c]phenanthridinium, 2,12-dihydroxy-3,8,9-trimethox...",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)O)O)OC)OC)OC.[Cl-]","SLTUNUCMPATMJX-UHFFFAOYSA-N",24200207,NA,"PDBC31800","363250","Present",NA,NA
+"31801","Benzo[c]phenanthridinium,3,8,9,12-pentamethoxy-5-methyl-, methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[c]phenanthridinium, 2,3,8,9,12-pentamethoxy-5-meth...",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OC)OC)OC)OC)OC.CS(=O)(=O)[O-]","OKNKOJMMBDZXLQ-UHFFFAOYSA-M",21144847,NA,"PDBC31801","344688","Present",NA,NA
+"31802","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 10-chloro-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-17-chloro-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=C(C=C5)Cl)C(=O)N(C3=O)C6=CC=C(C=C6)OC","HGPVCPTYSNSUHM-UHFFFAOYSA-N",376305,NA,"PDBC31802","657020","Present",NA,NA
+"31803","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(2-chlorophenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(2-chlorophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6Cl","RHMHVJABEBFCCQ-UHFFFAOYSA-N",381758,NA,"PDBC31803","668830","Present",NA,NA
+"31804","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(3,4-dimethoxyphenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(3,4-dimethoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=C(C=C6)OC)OC","FDTNJDHPYUBKIS-UHFFFAOYSA-N",374512,NA,"PDBC31804","652263","Present",NA,NA
+"31805","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(3,5-dibromophenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(3,5-dibromophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=CC(=C6)Br)Br","VIWRPBKUWFHHFI-UHFFFAOYSA-N",381759,NA,"PDBC31805","668831","Present",NA,NA
+"31806","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(3-chlorophenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(3-chlorophenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC(=CC=C6)Cl","CPQWLSMXDCOCJE-UHFFFAOYSA-N",381765,NA,"PDBC31806","668837","Present",NA,NA
+"31807","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-(4-acetylphenyl)-5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Acetylphenyl)-9-tert-butyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(=O)C1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","ASEYMOCHRXPWDI-UHFFFAOYSA-N",374513,NA,"PDBC31807","652264","Present",NA,NA
+"31808","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 2-cyclohexyl-3b,4,5,6,7,7a,12,12b-octahydro-5-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cyclohexyl-9-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6CCCCC6","ZZUTXMQPHRBRJP-UHFFFAOYSA-N",381764,NA,"PDBC31808","668836","Present",NA,NA
+"31809","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"COC1=CC=C(C=C1)N2C(=O)C3C4CCCCC4C5=C(C3C2=O)NC6=CC=CC=C65","GECBHJXRQAUPDJ-UHFFFAOYSA-N",373640,NA,"PDBC31809","650360","Present",NA,NA
+"31810","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-4,4,6,6-tetramethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-8,8,10,10-tetramethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1(CC2C(C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC)C(C1)(C)C)C","HPOCWWVDGXTRGZ-UHFFFAOYSA-N",374509,NA,"PDBC31810","652260","Present",NA,NA
+"31811","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-4,6-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-8,10-dimethyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1CC(C2C(C1)C3=C(C4C2C(=O)N(C4=O)C5=CC=C(C=C5)OC)NC6=CC=CC=C63)C","ZOFLDUKQYYPYGC-UHFFFAOYSA-N",374508,NA,"PDBC31811","652259","Present",NA,NA
+"31812","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-2-(2,3-dimethylphenyl)-3b,4,5,6,7,7a,12,12b-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(2,3-dimethylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1=C(C(=CC=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C)C","PGQYUCVWQUYKGG-UHFFFAOYSA-N",381766,NA,"PDBC31812","668838","Present",NA,NA
+"31813","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-2-(2,6-dimethylphenyl)-3b,4,5,6,7,7a,12,12b-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(2,6-dimethylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1=C(C(=CC=C1)C)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","IDNCRGPUIYDYNH-UHFFFAOYSA-N",381763,NA,"PDBC31813","668835","Present",NA,NA
+"31814","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-2-(4-ethoxyphenyl)-3b,4,5,6,7,7a,12,12b-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-ethoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CCOC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","HSDOQMNEGWLKEC-UHFFFAOYSA-N",374510,NA,"PDBC31814","652261","Present",NA,NA
+"31815","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(2-methoxyethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(2-methoxyethyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)CCOC","WWPQRNIXPZCCMI-UHFFFAOYSA-N",376303,NA,"PDBC31815","657018","Present",NA,NA
+"31816","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(2-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(2-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6OC","BMCDEOORWBCMRQ-UHFFFAOYSA-N",374511,NA,"PDBC31816","652262","Present",NA,NA
+"31817","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(3-methoxyphenyl)-9-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(3-methoxyphenyl)-16-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC(=CC=C6)OC)C(C)(C)C","XFXKCRPXBUUDKD-UHFFFAOYSA-N",379240,NA,"PDBC31817","663654","Present",NA,NA
+"31818","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(3-methoxypropyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(3-methoxypropyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)CCCOC","AGCUNNGZFILFIJ-UHFFFAOYSA-N",376304,NA,"PDBC31818","657019","Present",NA,NA
+"31819","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxy-2-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-methoxy-2-methylphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CC1=C(C=CC(=C1)OC)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","XKSSZSZFZRXUPX-UHFFFAOYSA-N",376301,NA,"PDBC31819","657016","Present",NA,NA
+"31820","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-(1,1-dimethylethyl)-3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-9-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-methoxyphenyl)-16-methyl-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14(19),15,17-tetraene-3,5-dione",NA,"CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C(C)(C)C","YJZQCNDBZGZAFQ-UHFFFAOYSA-N",376302,NA,"PDBC31820","657017","Present",NA,NA
+"31821","Benzo[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 5-ethyl-3b,4,5,6,7,7a,12,12b-octahydro-2-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Ethyl-4-(4-methoxyphenyl)-4,20-diazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),14,16,18-tetraene-3,5-dione",NA,"CCC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","LRPUSBKIJJHEIM-UHFFFAOYSA-N",376307,NA,"PDBC31821","657022","Present",NA,NA
+"31822","Benzo[d][1,3,6]benzotrithiocine 5-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[d][1,3,6]benzotrithiocine 5-oxide",NA,"C1SC2=CC=CC=C2S(=O)C3=CC=CC=C3S1","BQQKEJNBCHGZJY-UHFFFAOYSA-N",392632,NA,"PDBC31822","693212","Present",NA,NA
+"31823","Benzo[d][1,3]dithiol-2-yltriphenylphosphonium tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[d][1,3]dithiol-2-yltriphenylphosphonium tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC31823","628133","Present",NA,NA
+"31824","Benzo[e]pyrido[2,3-b]pyrrolo[3,4-g]indole-1,3(2H,4H)-dione, 5-(1,1-dimethylethyl)-5,6,7,12-tetrahydro-2-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-Tert-butyl-4-(4-methoxyphenyl)-4,18,20-triazapentacyclo[11.7.0.02,6.07,12.014,19]icosa-1(13),2(6),7(12),14(19),15,17-hexaene-3,5-dione",NA,"CC(C)(C)C1CCC2=C(C1)C3=C(C4=C2C5=C(N4)N=CC=C5)C(=O)N(C3=O)C6=CC=C(C=C6)OC","FGMRXRNHOFVNTC-UHFFFAOYSA-N",376309,NA,"PDBC31824","657024","Present",NA,NA
+"31825","Benzo[f][1,2,3]benzodithiazol-1-ium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[f][1,2,3]benzodithiazol-1-ium;chloride",NA,"C1=CC2=CC3=NS[S+]=C3C=C2C=C1.[Cl-]","DDAMVQBOGGLKKM-UHFFFAOYSA-M",359792,NA,"PDBC31825","621355","Present",NA,NA
+"31826","Benzo[f]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Naphthoquinoline",NA,"C1=CC=C2C(=C1)C=CC3=C2C=CC=N3","HCAUQPZEWLULFJ-UHFFFAOYSA-N",6796,NA,"PDBC31826","9850","Present",NA,NA
+"31827","Benzo[g][2]benzopyrano[4, 13-[2-(4-methyl-1-piperidinyl)ethyl]-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g][2]benzopyrano[4,3-b]indol-5-one, 13- [2-(4-meth...",NA,"CN1CCN(CC1)CCN2C3=C(C=CC4=CC=CC=C43)C5=C2C6=CC=CC=C6C(=O)O5.Cl","YNLXBYNQESEHPB-UHFFFAOYSA-N",368105,NA,"PDBC31827","638440","Present",NA,NA
+"31828","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,4-dimethylphenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,4-dimethylphenyl)-3-methyl-",NA,"CC1=CC(=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C)C","CFNSKGMWEDNPHT-UHFFFAOYSA-N",363228,NA,"PDBC31828","627974","Present",NA,NA
+"31829","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,5-dichlorophenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2,5-dichlorophenyl)-3-methyl-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=C(C=CC(=C4)Cl)Cl","JATLMKVSELNNQL-UHFFFAOYSA-N",363231,NA,"PDBC31829","627977","Present",NA,NA
+"31830","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2-ethylphenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(2-ethylphenyl)-3-methyl-",NA,"CCC1=CC=CC=C1N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C","RTMDICMDIJLALY-UHFFFAOYSA-N",363238,NA,"PDBC31830","627984","Present",NA,NA
+"31831","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,4-difluorophenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,4-difluorophenyl)-3-methyl-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=C(C=C4)F)F","VBFALOULUXMSCF-UHFFFAOYSA-N",363235,NA,"PDBC31831","627981","Present",NA,NA
+"31832","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,5-dimethylphenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3,5-dimethylphenyl)-3-methyl-",NA,"CC1=CC(=CC(=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C)C","CQMRFEMSYCXHHU-UHFFFAOYSA-N",363229,NA,"PDBC31832","627975","Present",NA,NA
+"31833","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-bromophenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-bromophenyl)-3-methyl-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)Br","ZCPAMGDOBOOZRV-UHFFFAOYSA-N",363236,NA,"PDBC31833","627982","Present",NA,NA
+"31834","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-chlorophenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-chlorophenyl)-3-methyl-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)Cl","YGSAGYVQVARNMT-UHFFFAOYSA-N",363230,NA,"PDBC31834","627976","Present",NA,NA
+"31835","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-fluorophenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-fluorophenyl)-3-methyl-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)F","GMSZMCYBBBHTRI-UHFFFAOYSA-N",363233,NA,"PDBC31835","627979","Present",NA,NA
+"31836","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-methoxyphenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(3-methoxyphenyl)-3-methyl-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)OC","KETXYHORFAVXFQ-UHFFFAOYSA-N",363241,NA,"PDBC31836","627987","Present",NA,NA
+"31837","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-bromophenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-bromophenyl)-3-methyl-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)Br","NIHJNBOBPVEDID-UHFFFAOYSA-N",363237,NA,"PDBC31837","627983","Present",NA,NA
+"31838","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-butylphenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-butylphenyl)-3-methyl-",NA,"CCCCC1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C","JLAJYFGZSQCUQX-UHFFFAOYSA-N",363239,NA,"PDBC31838","627985","Present",NA,NA
+"31839","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-chlorophenyl)-3,7,8-trimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-chlorophenyl)-3,7,8-trimethyl-",NA,"CC1=CC2=C(C=C1C)N(C3=NC(=O)N(C(=O)C3=N2)C)C4=CC=C(C=C4)Cl","DBYQBYKIEWYPPF-UHFFFAOYSA-N",363246,NA,"PDBC31839","627992","Present",NA,NA
+"31840","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-fluorophenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-fluorophenyl)-3-methyl-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)F","RFTCBTJXJMOHSW-UHFFFAOYSA-N",363234,NA,"PDBC31840","627980","Present",NA,NA
+"31841","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-hydroxyphenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-(4-hydroxyphenyl)-3-methyl-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)O","MKNALTBDBSYVSP-UHFFFAOYSA-N",363240,NA,"PDBC31841","627986","Present",NA,NA
+"31842","Benzo[g]pteridine-2,4(3H,10H)-dione, 10-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 10-[4-chloro-3-(trifluoromethyl)phenyl]-3-methyl-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=C(C=C4)Cl)C(F)(F)F","OEMJCPVZGMMFRY-UHFFFAOYSA-N",363232,NA,"PDBC31842","627978","Present",NA,NA
+"31843","Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-[4-(methylthio)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-[4-(methylthio)phenyl]-",NA,"CCN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=C(C=C4)SC","AKXVVDUUHLCSTO-UHFFFAOYSA-N",363247,NA,"PDBC31843","627993","Present",NA,NA
+"31844","Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-ethyl-10-phenyl-",NA,"CCN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC=CC=C4","FNNWTHVWCABIRR-UHFFFAOYSA-N",363248,NA,"PDBC31844","627994","Present",NA,NA
+"31845","Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(2-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(2-methylphenyl)-",NA,"CC1=CC=CC=C1N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C","GTJWDRBWXVWTEL-UHFFFAOYSA-N",363226,NA,"PDBC31845","627972","Present",NA,NA
+"31846","Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(4-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-(4-methylphenyl)-",NA,"CC1=CC=C(C=C1)N2C3=CC=CC=C3N=C4C2=NC(=O)N(C4=O)C","CMWYEHWVMFIHLR-UHFFFAOYSA-N",363227,NA,"PDBC31846","627973","Present",NA,NA
+"31847","Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-[3-(methylthio)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 3-methyl-10-[3-(methylthio)phenyl]-",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC=C4)SC","DXGJAVBSXROSIS-UHFFFAOYSA-N",363242,NA,"PDBC31847","627988","Present",NA,NA
+"31848","Benzo[g]pteridine-2,4(3H,10H)-dione, 7-chloro-10-(4-chlorophenyl)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]pteridine-2,4(3H,10H)-dione, 7-chloro-10-(4-chlorophenyl)-3-methyl-",NA,"CN1C(=O)C2=NC3=C(C=CC(=C3)Cl)N(C2=NC1=O)C4=CC=C(C=C4)Cl","QEYHOVKABYDDMC-UHFFFAOYSA-N",363244,NA,"PDBC31848","627990","Present",NA,NA
+"31849","Benzo[g]quinoline-5, 5,10-dihydro-4-[2-(1-piperidinyl)ethenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]quinoline-5,10-dione, 5,10-dihydro- 4-[2-(1-pipe...",NA,"C1CCN(CC1)C=CC2=C3C(=NC=C2)C(=O)C4=CC=CC=C4C3=O","ZZOIBZBKTUIRIW-LCYFTJDESA-N",54608738,NA,"PDBC31849","642968","Present",NA,NA
+"31850","Benzo[g]quinoxalin-2(1h)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]quinoxalin-2(1h)-one",NA,"C1=CC=C2C=C3C(=CC2=C1)NC(=O)C=N3","LYSSXWHDEUZXLJ-UHFFFAOYSA-N",387559,NA,"PDBC31850","681482","Present",NA,NA
+"31851","Benzo[g]quinoxaline-2, 5,10-dihydro-5,10-dioxo-, diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[g]quinoxaline-2,3-dicarboxylic acid, 5,10-dihydro-...",NA,"CCOC(=O)C1=NC2=C(C(=O)C3=CC=CC=C3C2=O)N=C1C(=O)OCC","JSQYFPHYSOZLPT-UHFFFAOYSA-N",400766,NA,"PDBC31851","713197","Present",NA,NA
+"31852","Benzo[kl]xanthene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[kl]xanthene (8CI9CI)",NA,"C1=CC=C2C(=C1)C3=CC=CC4=C3C(=CC=C4)O2","QKOSFCWXOIAFTO-UHFFFAOYSA-N",67456,NA,"PDBC31852","89258","Present",NA,NA
+"31853","Benzoanthracenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzoanthracenone",NA,"C1=CC=C2C3=C4C(=CC2=C1)C=CC(=O)C4=CC=C3","OVOJKKZRNREKOV-UHFFFAOYSA-N",12300036,NA,"PDBC31853","727350","Present",NA,NA
+"31854","Benzocyclohept",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzocyclohept",NA,"CC(=O)OC1=CC=CC2=C1C3(C2CCCCC3(OC)OC)OC(=O)C","DOWSTJUUWNRJCJ-UHFFFAOYSA-N",375539,NA,"PDBC31854","655318","Present",NA,NA
+"31855","Benzododecinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vantoc cl",NA,"CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]","JBIROUFYLSSYDX-UHFFFAOYSA-M",8753,NA,"PDBC31855","85508","Present",NA,NA
+"31856","Benzofuran, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzofuran, 2-(4-chlorophenyl)-5-methoxy- 3-(4-methyl-1-...",NA,"CN1CCN(CC1)C2=C(OC3=C2C=C(C=C3)OC)C4=CC=C(C=C4)Cl.Cl","WEKHTFMDMBQDAV-UHFFFAOYSA-N",21144903,NA,"PDBC31856","377467","Present",NA,NA
+"31857","Benzofurazan, 4-(4-morpholinyl)-7-nitro-, 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzofurazan, 4-(4-morpholinyl)-7-nitro-, 3-oxide",NA,"C1COCCN1C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]","VJBMAFLDXIZVDK-UHFFFAOYSA-N",313562,NA,"PDBC31857","228082","Present",NA,NA
+"31858","Benzofurazan, 4-[(3-methoxyphenyl)thio]-7-nitro-, 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzofurazan, 4-[(3-methoxyphenyl)thio]-7-nitro-, 3-oxide",NA,"COC1=CC(=CC=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]","UTDUSKUUJBCURF-UHFFFAOYSA-N",313591,NA,"PDBC31858","228120","Present",NA,NA
+"31859","Benzofurazan, 7-(4-benzyl-1-piperazinyl)-4-nitro-, 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t56 bnonj bo fnw i- at6n dntj dr d1",NA,"C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]","HXSYYCOFWSTFAE-UHFFFAOYSA-N",43795,NA,"PDBC31859","228099","Present",NA,NA
+"31860","Benzoic acid (2-benzylidenecyclohexylidene)amino ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627221",NA,"C1CCC(=NOC(=O)C2=CC=CC=C2)C(=CC3=CC=CC=C3)C1","UGXGWNOSUYLGMZ-YDDLXSOJSA-N",6373206,NA,"PDBC31860","627221","Present",NA,NA
+"31861","Benzoic acid 10-hydroxy-11-oxo-5,5]imidazo[1,2-b]isoqu inolin-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid 10-hydroxy-11-oxo-5,11-dihydro-benzo[4,5]im...",NA,"C1=CC=C(C=C1)C(=O)OC2=C3C=C4NC5=CC=CC=C5N4C(=O)C3=C(C=C2)O","LDLYUQCKNLCPSZ-UHFFFAOYSA-N",24205252,NA,"PDBC31861","734755","Present",NA,NA
+"31862","Benzoic acid 4-decylidene-2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid 4-decylidene-2-hydroxymethyl-5-oxo-tetrahydro-furan-2-ylmethyl ester",NA,"CCCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)C2=CC=CC=C2","MGLVTIFLCJBETJ-HKWRFOASSA-N",5470625,NA,"PDBC31862","703753","Present",NA,NA
+"31863","Benzoic acid, 2,2'-iminobis-, bis[[(1E)-(2-hydroxyphenyl)methylene]hydrazide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[[(E)-(2-hydroxyphenyl)methylideneamino]carbamoyl]anilino]benzamide",NA,"C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=CC4=CC=CC=C4O)O","NKSCVBFVBBRUIV-YAGSLNJISA-N",135484736,NA,"PDBC31863","698452","Present",NA,NA
+"31864","Benzoic acid, 2-((6-methoxy-2-naphthalenyl)carbonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-((6-methoxy-2-naphthalenyl)carbonyl)-",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O","MPMPJSOCGXBPOL-UHFFFAOYSA-N",156233,NA,"PDBC31864","625599","Present",NA,NA
+"31865","Benzoic acid, 2-(1,3,4',5'-tetrahydro-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"COC(=O)C1=CC=CC=C1C2CN=NC23CC4=CC=CC=C4C3=O","IKXTZOYHFSRVEB-UHFFFAOYSA-N",385690,NA,"PDBC31865","677036","Present",NA,NA
+"31866","Benzoic acid, 2-(1,3,4',5'-tetrahydro-4,5-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=C(C2=C(C=C1)C(=O)C3(C2)C(CN=N3)C4=CC=CC=C4C(=O)OC)C","UACQQBIKFDFHJP-UHFFFAOYSA-N",386178,NA,"PDBC31866","677800","Present",NA,NA
+"31867","Benzoic acid, 2-(1,3,4',5'-tetrahydro-4,6-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=CC(=C2CC3(C(CN=N3)C4=CC=CC=C4C(=O)OC)C(=O)C2=C1)C","UXAZKBHZGZZGML-UHFFFAOYSA-N",386179,NA,"PDBC31867","677801","Present",NA,NA
+"31868","Benzoic acid, 2-(1,3,4',5'-tetrahydro-4,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(4,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=C2CC3(C(CN=N3)C4=CC=CC=C4C(=O)OC)C(=O)C2=C(C=C1)C","YHCBIVRCTXSUKC-UHFFFAOYSA-N",386190,NA,"PDBC31868","677812","Present",NA,NA
+"31869","Benzoic acid, 2-(1,3,4',5'-tetrahydro-4-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(7-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=C2CC3(C(CN=N3)C4=CC=CC=C4C(=O)OC)C(=O)C2=CC=C1","PVINAUHTMKRBBE-UHFFFAOYSA-N",385681,NA,"PDBC31869","677027","Present",NA,NA
+"31870","Benzoic acid, 2-(1,3,4',5'-tetrahydro-5,6-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=CC2=C(C=C1C)C(=O)C3(C2)C(CN=N3)C4=CC=CC=C4C(=O)OC","KFYPYRIWJJGRNM-UHFFFAOYSA-N",386187,NA,"PDBC31870","677809","Present",NA,NA
+"31871","Benzoic acid, 2-(1,3,4',5'-tetrahydro-5,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(4,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=CC(=C2C(=C1)CC3(C2=O)C(CN=N3)C4=CC=CC=C4C(=O)OC)C","ZBQOWEKJGGQRMW-UHFFFAOYSA-N",386181,NA,"PDBC31871","677803","Present",NA,NA
+"31872","Benzoic acid, 2-(1,3,4',5'-tetrahydro-5-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=CC2=C(C=C1)C(=O)C3(C2)C(CN=N3)C4=CC=CC=C4C(=O)OC","CJZCUSBPXSVKOP-UHFFFAOYSA-N",385680,NA,"PDBC31872","677026","Present",NA,NA
+"31873","Benzoic acid, 2-(1,3,4',5'-tetrahydro-6,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(4,5-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=C(C2=C(CC3(C2=O)C(CN=N3)C4=CC=CC=C4C(=O)OC)C=C1)C","ZNVDTUDQNDQYGN-UHFFFAOYSA-N",386185,NA,"PDBC31873","677807","Present",NA,NA
+"31874","Benzoic acid, 2-(1,3,4',5'-tetrahydro-6-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=CC2=C(CC3(C2=O)C(CN=N3)C4=CC=CC=C4C(=O)OC)C=C1","GJDGPAMARQTCMR-UHFFFAOYSA-N",385679,NA,"PDBC31874","677025","Present",NA,NA
+"31875","Benzoic acid, 2-(1,3,4',5'-tetrahydro-7-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(4-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=C2C(=CC=C1)CC3(C2=O)C(CN=N3)C4=CC=CC=C4C(=O)OC","APLOMVCYTLRHSV-UHFFFAOYSA-N",385683,NA,"PDBC31875","677029","Present",NA,NA
+"31876","Benzoic acid, 2-(2-furanylcarbonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Furoyl)benzoic acid",NA,"C1=CC=C(C(=C1)C(=O)C2=CC=CO2)C(=O)O","LOQBQVAJOUMEIG-UHFFFAOYSA-N",358265,NA,"PDBC31876","618208","Present",NA,NA
+"31877","Benzoic acid, 2-[(3,4-dimethoxyphenyl)(cyano) methyl]hyrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-hydroxy-, 2-[(3,4-dimethoxyphenyl)(cyano...",NA,"COC1=C(C=C(C=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)OC","HVUNESCUNADGQY-UHFFFAOYSA-N",375020,NA,"PDBC31877","653846","Present",NA,NA
+"31878","Benzoic acid, 2-[1,3,4',5'-tetrahydro-1-oxospiro[2H-inden-2,3'-[3H]pyrazol]-4'-yl]-4-methyl-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-[1,3,4',5'-tetrahydro-1-oxospiro[2H-inde...",NA,"CC1=CC2=C(C=C1)C(=O)C3(C2)C(CN=N3)C4=C(C=CC(=C4)C)C(=O)OC","NKARWVSZUPOVCS-UHFFFAOYSA-N",385674,NA,"PDBC31878","677020","Present",NA,NA
+"31879","Benzoic acid, 2-[5-(2-carboxyethenyl-2-furyl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-[5-(2-carboxyethenyl-2-furyl)oxy]-",NA,"C1=CC=C(C(=C1)C(=O)O)OC2=CC=C(O2)C=CC(=O)O","NTYKGLOVBHEZJX-FNORWQNLSA-N",5912750,NA,"PDBC31879","646769","Present",NA,NA
+"31880","Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dihydroxyphenyl)-methyl]amino]-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dihydroxyphenyl)...",NA,"COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2Br)O)O)Cl","KTAXLDMUDOECBY-UHFFFAOYSA-N",389643,NA,"PDBC31880","685985","Present",NA,NA
+"31881","Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dioxo-1,4-cyclohexadienyl)methyl]amino]-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-chloro-4-[[(2-bromo-3,6-dioxo-1,4-cycloh...",NA,"COC(=O)C1=C(C=C(C=C1)NCC2=C(C(=O)C=CC2=O)Br)Cl","NCTUOWCNQBZFKG-UHFFFAOYSA-N",389737,NA,"PDBC31881","686334","Present",NA,NA
+"31882","Benzoic acid, 2-chloro-5-(((2-methyl-3-furanyl)thioxomethyl)amino)-, 2,2,2-trifluoroethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-chloro-5-[[(2-methyl-3-furanyl) thioxome...",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC(F)(F)F","UQOGDBKXGXIKAS-UHFFFAOYSA-N",3000932,NA,"PDBC31882","639475","Present",NA,NA
+"31883","Benzoic acid, 2-chloro-5-(((3-methyl-2-thienyl)thioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-chloro-5-[[(3-methyl-2-thienyl) thioxome...",NA,"CC1=C(SC=C1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C(C)C)C(C)C","QMPGAEJMXZSJEF-UHFFFAOYSA-N",3000898,NA,"PDBC31883","648360","Present",NA,NA
+"31884","Benzoic acid, 2-chloro-5-(((5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)thioxomethyl)amino)-, 1-methylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-chloro-5-[[(2-methyl-5,6-dihydro-1,4- ox...",NA,"CC1=C(SCCO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C","CZDOLCFOGDUISK-UHFFFAOYSA-N",3001024,NA,"PDBC31884","638521","Present",NA,NA
+"31885","Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-6-(3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=C(C(=CC=C1)C2CN=NC23CC4=CC=CC=C4C3=O)C(=O)OC","QEHJPHRIKSKLAL-UHFFFAOYSA-N",386191,NA,"PDBC31885","677813","Present",NA,NA
+"31886","Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-4-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-6-(7-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=C2CC3(C(CN=N3)C4=CC=CC(=C4C(=O)OC)C)C(=O)C2=CC=C1","DASKQNHFZMISBD-UHFFFAOYSA-N",385688,NA,"PDBC31886","677034","Present",NA,NA
+"31887","Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-5,6-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-6-methylbenzoate",NA,"CC1=C(C(=CC=C1)C2CN=NC23CC4=C(C3=O)C=C(C(=C4)C)C)C(=O)OC","WFCIEHWRWGAYKK-UHFFFAOYSA-N",386182,NA,"PDBC31887","677804","Present",NA,NA
+"31888","Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-5,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(4,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-6-methylbenzoate",NA,"CC1=C(C(=CC=C1)C2CN=NC23CC4=CC(=CC(=C4C3=O)C)C)C(=O)OC","XRYCDSHAJGVWQP-UHFFFAOYSA-N",386183,NA,"PDBC31888","677805","Present",NA,NA
+"31889","Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-6,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(4,5-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-6-methylbenzoate",NA,"CC1=C(C(=CC=C1)C2CN=NC23CC4=C(C3=O)C(=C(C=C4)C)C)C(=O)OC","RKEMEWKNLCHNAP-UHFFFAOYSA-N",386177,NA,"PDBC31889","677799","Present",NA,NA
+"31890","Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-6-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-6-(5-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=CC2=C(CC3(C2=O)C(CN=N3)C4=CC=CC(=C4C(=O)OC)C)C=C1","PAFFCZGLZIWCIM-UHFFFAOYSA-N",386172,NA,"PDBC31890","677794","Present",NA,NA
+"31891","Benzoic acid, 2-methyl-6-(1,3,4',5'-tetrahydro-7-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-6-(4-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=C2C(=CC=C1)CC3(C2=O)C(CN=N3)C4=CC=CC(=C4C(=O)OC)C","PBHZKZJCBJXNHD-UHFFFAOYSA-N",387009,NA,"PDBC31891","680325","Present",NA,NA
+"31892","Benzoic acid, 3,5-dinitro-4-(1H-purin-6-ylthio)-, octyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 3,5-dinitro-4-(1H-purin-6-ylthio)-, octyl ...",NA,"CCCCCCCCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]","JWTQVITYOODVFM-UHFFFAOYSA-N",3560228,NA,"PDBC31892","264497","Present",NA,NA
+"31893","Benzoic acid, 3-methyl-2-(1,3,4',5'-tetrahydro-4,5-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-3-methylbenzoate",NA,"CC1=C(C(=CC=C1)C(=O)OC)C2CN=NC23CC4=C(C3=O)C=CC(=C4C)C","GXSBZKKCZNVIIN-UHFFFAOYSA-N",386175,NA,"PDBC31893","677797","Present",NA,NA
+"31894","Benzoic acid, 3-methyl-2-(1,3,4',5'-tetrahydro-5,7-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(4,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-3-methylbenzoate",NA,"CC1=C(C(=CC=C1)C(=O)OC)C2CN=NC23CC4=CC(=CC(=C4C3=O)C)C","JLDKIRQNTVTZJM-UHFFFAOYSA-N",386176,NA,"PDBC31894","677798","Present",NA,NA
+"31895","Benzoic acid, 4-[(2-bromo-1-oxopropyl)amino]-2-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[(2-bromo-1-oxopropyl)amino]-2-hydroxy-",NA,"CC(C(=O)NC1=CC(=C(C=C1)C(=O)O)O)Br","DDOIUCYUNNIGSJ-UHFFFAOYSA-N",309414,NA,"PDBC31895","211685","Present",NA,NA
+"31896","Benzoic acid, 4-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)azo]-, hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[(E)-(2-methylimidazo[1,2-a]pyridin-3-yl)azo]-, hydrazide",NA,"CC1=C(N2C=CC=CC2=N1)N=NC3=CC=C(C=C3)C(=O)NN","DBVOXUIUSFTLGK-UHFFFAOYSA-N",369178,NA,"PDBC31896","640884","Present",NA,NA
+"31897","Benzoic acid, 4-[4-(4-nitrophenyl)-1H-imidazol-1-yl]-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[4-(4-nitrophenyl)-1H-imidazol-1-yl]-, e...",NA,"CCOC(=O)C1=CC=C(C=C1)N2C=C(N=C2)C3=CC=C(C=C3)[N+](=O)[O-]","CVPPZTGNUVRJHE-UHFFFAOYSA-N",355941,NA,"PDBC31897","610745","Present",NA,NA
+"31898","Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, isopropyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, i...",NA,"CC(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","OMVBNGOHWAOEKO-UHFFFAOYSA-N",386093,NA,"PDBC31898","677695","Present",NA,NA
+"31899","Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]...",NA,"CCOC(=O)C1=CC=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C","GLYHKOMBOQZZTG-UHFFFAOYSA-N",246507,NA,"PDBC31899","59643","Present",NA,NA
+"31900","Benzoic acid, 4-methyl-2-(1,3,4',5'-tetrahydro-4-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-(7-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=CC(=C(C=C1)C(=O)OC)C2CN=NC23CC4=C(C=CC=C4C3=O)C","QOPOHVVONYFKAE-UHFFFAOYSA-N",385682,NA,"PDBC31900","677028","Present",NA,NA
+"31901","Benzoic acid, 4-methyl-2-(1,3,4',5'-tetrahydro-5,6-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5,6-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-4-methylbenzoate",NA,"CC1=CC(=C(C=C1)C(=O)OC)C2CN=NC23CC4=C(C3=O)C=C(C(=C4)C)C","LPLOCPUBJLVZSY-UHFFFAOYSA-N",386174,NA,"PDBC31901","677796","Present",NA,NA
+"31902","Benzoic acid, 4-methyl-2-(1,3,4',5'-tetrahydro-7-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-(4-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=CC(=C(C=C1)C(=O)OC)C2CN=NC23CC4=CC=CC(=C4C3=O)C","XSZDKVGNKMSXCX-UHFFFAOYSA-N",385686,NA,"PDBC31902","677032","Present",NA,NA
+"31903","Benzoic acid, 5-methyl-2-(1,3,4',5'-tetrahydro-4,6-dimethyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5,7-dimethyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)-5-methylbenzoate",NA,"CC1=CC(=C(C=C1)C2CN=NC23CC4=C(C=C(C=C4C3=O)C)C)C(=O)OC","KLKQGXZLJBEEQM-UHFFFAOYSA-N",386184,NA,"PDBC31903","677806","Present",NA,NA
+"31904","Benzoic acid, 5-methyl-2-(1,3,4',5'-tetrahydro-6-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-methyl-2-(5-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=CC2=C(CC3(C2=O)C(CN=N3)C4=C(C=C(C=C4)C)C(=O)OC)C=C1","MHBBUIFYOBDBRL-UHFFFAOYSA-N",386186,NA,"PDBC31904","677808","Present",NA,NA
+"31905","Benzoic acid, 5-methyl-2-(1,3,4',5'-tetrahydro-7-methyl-1-oxospiro[2H-indene-2,3'-[3H]pyrazol]-4'-yl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-methyl-2-(4-methyl-3-oxospiro[1H-indene-2,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=CC(=C(C=C1)C2CN=NC23CC4=CC=CC(=C4C3=O)C)C(=O)OC","DLNRSIJBVOIMDP-UHFFFAOYSA-N",386173,NA,"PDBC31905","677795","Present",NA,NA
+"31906","Benzoic acid, [(2-hydroxy-3-methoxyphenyl)methylene]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-(1-pyrrolidinyl)-, [(2-hydroxy-3-methoxy...",NA,"COC1=CC=CC(=C1O)C=NNC(=O)C2=CC=CC=C2N3CCCC3","MXGBAOGKXDTMLE-DEDYPNTBSA-N",135502114,NA,"PDBC31906","268695","Present",NA,NA
+"31907","Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran-4-yl)methoxy]-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, [(6-methyl-2-oxo-2H-benzopyran- 4-yl)metho...",NA,"CC1=CC2=C(C=C1)OC(=O)C=C2COC3=CC=CC=C3C(=O)OC","AEWJHLXXHVQICB-UHFFFAOYSA-N",360923,NA,"PDBC31907","623637","Present",NA,NA
+"31908","Benzoic acid, [1-(2-hydroxyphenyl)ethylidene]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-amino-, [1-(2-hydroxyphenyl)ethylidene]h...",NA,"CC(=NNC(=O)C1=CC=CC=C1N)C2=CC=CC=C2O","ICFAPGRDMJZKNX-LICLKQGHSA-N",135493674,NA,"PDBC31908","338537","Present",NA,NA
+"31909","Benzoic acid, p-(3-methyl-3-nitrosoureido)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sri 1690",NA,"CN(C(=O)NC1=CC=C(C=C1)C(=O)O)N=O","LUAOYJDDQIIDIN-UHFFFAOYSA-N",101388,NA,"PDBC31909","409719","Present",NA,NA
+"31910","Benzoic acid, silver(1+) salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Silver benzoate",NA,"C1=CC=C(C=C1)C(=O)O.[Ag]","GQCYXEOBZQXHPO-UHFFFAOYSA-N",6712949,NA,"PDBC31910","97388","Present",NA,NA
+"31911","Benzoic acid,2-[[[(4S)-4-carboxy-4-[[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]amino]butyl]amino]carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"An Antifol///L-Ornithine, N.alpha.-[4-[[(2,4-diamino-6-pteridinyl)met...",NA,"C1=CC=C(C(=C1)C(=O)NCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O","NYQPLPNEESYGNO-UHFFFAOYSA-N",360682,NA,"PDBC31911","623017///633713","Present",NA,NA
+"31912","Benzoic acid,3'-methylenebis[6-amino-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 3,3'-methylenebis[6-amino-, dihydrochlorid...",NA,"C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)C(=O)O)C(=O)O)N.Cl","LPRYRBABZSWODE-UHFFFAOYSA-N",54598894,NA,"PDBC31912","37136","Present",NA,NA
+"31913","Benzoic acid,3-dihydro-4-methyl-1-oxo-1H-inden-2-yl)methyl]-4-methyl-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-[(2,3-dihydro-4-methyl-1-oxo- 1H-inden-2...",NA,"CC1=CC(=C(C=C1)C(=O)OC)CC2CC3=C(C=CC=C3C2=O)C","FYFXJQOEJJOMJI-UHFFFAOYSA-N",386193,NA,"PDBC31913","677815","Present",NA,NA
+"31914","Benzoic acid,4-diaminopteridinyl)-6-methyl] (formyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[(2,4-diaminopteridinyl)-6-methyl] (for...",NA,"C1=CC(=CC=C1C(=O)O)N(CC2=CN=C3C(=N2)C(=NC(=N3)N)N)C=O","SRDZMAPGWAOULQ-UHFFFAOYSA-N",393100,NA,"PDBC31914","694485","Present",NA,NA
+"31915","Benzoic acid,4-dichloro-, [1-[4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide, monohydrochloride, (2S-cis)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 3,4-dichloro-, [1-[4-[(3-amino-2,3,6-tride...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC(=C(C=C6)Cl)Cl)C)O)N)O.Cl","OEXFGUZYSWDUME-IKIAVLLTSA-N",54604497,NA,"PDBC31915","221266","Present",NA,NA
+"31916","Benzoic acid;2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid;2-(3,4-dihydroxy-5-methoxyphenyl)chromenylium-3,5,7-triol",NA,"COC1=CC(=CC(=C1O)O)C2=[O+]C3=CC(=CC(=C3C=C2O)O)O.C1=CC=C(C=C1)C(=O)O","PNIGMAGNDWFUKO-UHFFFAOYSA-O",419438,NA,"PDBC31916","114885","Present",NA,NA
+"31917","Benzoic acid;4-[1-hydroxy-2-[1-(4-hydroxyphenyl)propan-2-ylamino]ethyl]benzene-1,2-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Benzenediol, 4-[1-hydroxy-2-[[2-(4-hydroxyphenyl)-1-...",NA,"CC(CC1=CC=C(C=C1)O)NCC(C2=CC(=C(C=C2)O)O)O.C1=CC=C(C=C1)C(=O)O","WJXXXRPUINHURH-UHFFFAOYSA-N",317587,NA,"PDBC31917","250293","Present",NA,NA
+"31918","Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzonitrile, 4-(3-oxo-3-phenyl-1-propenyl)-///NSC636934",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C#N","CAHMJFODGBXCBM-ZHACJKMWSA-N",5367161,NA,"PDBC31918","179365///636934","Present",NA,NA
+"31919","Benzonitrile, 4-[2-(2-benzoxazolyl)-2,2-difluoro-1-hydroxyethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(1,3-Benzoxazol-2-yl)-2,2-difluoro-1-hydroxyethyl]benzonitrile",NA,"C1=CC=C2C(=C1)N=C(O2)C(C(C3=CC=C(C=C3)C#N)O)(F)F","ONJNAACJTUUFBX-UHFFFAOYSA-N",393818,NA,"PDBC31919","696597","Present",NA,NA
+"31920","Benzophenone, 4,4'-bis(dimethylamino)-, oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: 1n1&r dyunqr dn1&1",NA,"CN(C)C1=CC=C(C=C1)C(=NO)C2=CC=C(C=C2)N(C)C","RHVSVZXFVMCNAT-UHFFFAOYSA-N",15581,NA,"PDBC31920","43959","Present",NA,NA
+"31921","Benzothein[2,6,7,8-tetrahy dro",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzothein[2,3-d]pyrimidin-4-amino-2-hydroxy-5,6,7,8-tet...",NA,"C1CCC2=C(C1)C3=C(NC(=O)N=C3S2)N","VNCNQDPRMVZSCZ-UHFFFAOYSA-N",405800,NA,"PDBC31921","723452","Present",NA,NA
+"31922","Benzothiazole,Methiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzothiazole,2-(4-N-N-Dimethylamino-3-methoxystyryl),Me...",NA,"C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC(=C(C=C3)N(C)C)OC.[I-]","MBLDIFZSKMTADA-UHFFFAOYSA-M",6518097,NA,"PDBC31922","662251","Present",NA,NA
+"31923","Benzothiazolium, 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-3-(4-iodobutyl)-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzothiazole, 2-(3-4-Dimethoxy styryl),1-4-Iodobutyl io...",NA,"COC1=C(C=C(C=C1)C=CC2=[N+](C3=CC=CC=C3S2)CCCCI)OC.[I-]","FUDHPPMERXNXNU-VHPXAQPISA-M",6474473,NA,"PDBC31923","662250","Present",NA,NA
+"31924","Benzothiazolium, 2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-3-methyl-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC10526///2-(4-N-N-Dimethylaminostyryl)-3-methyl Iodide",NA,"C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)N(C)C.[I-]","ISQZSFZTDBJRBP-UHFFFAOYSA-M",6474466,NA,"PDBC31924","10526///662424","Present",NA,NA
+"31925","Benzothiazolium,3-butadienyl]-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzothiazolium 3-methyl-2-[4-(1-piperidinyl)-1,3-butadi...",NA,"C[N+]1=C(SC2=CC=CC=C21)C=CC=CN3CCCCC3.[I-]","KPSGGQGNEWRSFK-UHFFFAOYSA-M",135539594,NA,"PDBC31925","179220","Present",NA,NA
+"31926","Benzothiazolium-cis[tetrachlorobisbenzothiazoleruthenate...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzothiazolium-cis[tetrachlorobisbenzothiazoleruthenate...",NA,NA,NA,NA,NA,"PDBC31926","630140","Present",NA,NA
+"31927","Benzothiopyranone deriv.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzothiopyranone deriv.",NA,"C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC4=NC(=O)NC(=O)N43","LJFSTDCTAGRPBJ-UHFFFAOYSA-N",385058,NA,"PDBC31927","675987","Present",NA,NA
+"31928","Benzoxazole, 2-(4-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R 673",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]","KLOXEYMSPNBMHD-UHFFFAOYSA-N",70047,NA,"PDBC31928","702048","Present",NA,NA
+"31929","Benzoxazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoxazole, 2-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-",NA,"CN1C=NC(=C1SC2=NC3=CC=CC=C3O2)[N+](=O)[O-]","JBINTOAIXBDCLY-UHFFFAOYSA-N",364608,NA,"PDBC31929","631136","Present",NA,NA
+"31930","Benzoxazole, 5-chloro-2-(2-phenylethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoxazole, 5-chloro-2-(2-phenylethyl)-",NA,"C1=CC=C(C=C1)CCC2=NC3=C(O2)C=CC(=C3)Cl","AVBIFDFYSNAAHE-UHFFFAOYSA-N",401573,NA,"PDBC31930","715268","Present",NA,NA
+"31931","Benzoxazole, 5-chloro-6-nitro-2-(phenoxymethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoxazole, 5-chloro-6-nitro-2-(phenoxymethyl)-",NA,"C1=CC=C(C=C1)OCC2=NC3=CC(=C(C=C3O2)[N+](=O)[O-])Cl","CUDOZWOWVPDPCV-UHFFFAOYSA-N",401589,NA,"PDBC31931","715285","Present",NA,NA
+"31932","Benzoxazole, 5-chloro-6-nitro-2-[(phenylthio)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoxazole, 5-chloro-6-nitro-2-[(phenylthio)methyl]-",NA,"C1=CC=C(C=C1)SCC2=NC3=CC(=C(C=C3O2)[N+](=O)[O-])Cl","SRECUILWWKYLJJ-UHFFFAOYSA-N",401572,NA,"PDBC31932","715267","Present",NA,NA
+"31933","Benzoxazole,3-benzodioxol-5-yl)ethenyl]-, (Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoxazole, 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-, (Z)-",NA,"C1OC2=C(O1)C=C(C=C2)C=CC3=NC4=CC=CC=C4O3","DPSXZXQPFAYPNZ-VURMDHGXSA-N",5351255,NA,"PDBC31933","176655","Present",NA,NA
+"31934","Benzoyl leuco methylene blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzoylleukomethylene blue",NA,"CN(C)C1=CC2=C(C=C1)N(C3=C(S2)C=C(C=C3)N(C)C)C(=O)C4=CC=CC=C4","ZKURGBYDCVNWKH-UHFFFAOYSA-N",94975,NA,"PDBC31934","11881","Present",NA,NA
+"31935","Benzoyl-N-methyl amino anthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoyl-N-methyl amino anthraquinone",NA,"CN(C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C(=O)C4=CC=CC=C4","LNOQVWKCKYDUIJ-UHFFFAOYSA-N",374712,NA,"PDBC31935","652898","Present",NA,NA
+"31936","Benzoyloxy-[[3-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoyloxy-[[3-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury",NA,"C1COC(C(O1)C[Hg]OC(=O)C2=CC=CC=C2)C[Hg]OC(=O)C3=CC=CC=C3","JELHOUIGSAGPOA-UHFFFAOYSA-L",16683643,NA,"PDBC31936","29443","Present",NA,NA
+"31937","Benzoyloxy-[[6-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoyloxy-[[6-(benzoyloxymercuriomethyl)-1,4-dioxan-2-yl]methyl]mercury",NA,"C1C(OC(CO1)C[Hg]OC(=O)C2=CC=CC=C2)C[Hg]OC(=O)C3=CC=CC=C3","DIZHAVSYIMNDTL-UHFFFAOYSA-L",16683646,NA,"PDBC31937","30915","Present",NA,NA
+"31938","Benzoylphenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoylphenylurea",NA,"CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2N(C)C)OC3=NC=C(C=N3)Br","JNGQUJZDVFZPEN-UHFFFAOYSA-N",368697,NA,"PDBC31938","639829","Present",NA,NA
+"31939","Benzpiperylone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ppbp",NA,"CN1CCC(CC1)N2C(=O)C(=C(N2)C3=CC=CC=C3)CC4=CC=CC=C4","KMGARVOVYXNAOF-UHFFFAOYSA-N",98514,NA,"PDBC31939","73254","Present",NA,NA
+"31940","Benzthiazole-urea, 40",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW693917A",NA,"COC(=O)NC1=NC2=C(S1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=C(C=CC(=C4)C(F)(F)F)F","CLOKCIDZTVIDMJ-UHFFFAOYSA-N",10279624,NA,"PDBC31940","756317","Present",NA,NA
+"31941","Benztropine mesylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benztropine mesylate",NA,"CN1C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)O","CPFJLLXFNPCTDW-UHFFFAOYSA-N",238053,NA,"PDBC31941","42199","Present",NA,NA
+"31942","Benzyl ((1-((tert-butoxycarbonyl)amino)-2-phenylethyl)amino)carbonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl ((1-((tert-butoxycarbonyl)amino)-2-phenylethyl)amino)carbonylcarbamate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)NC(=O)NC(=O)OCC2=CC=CC=C2","BMVCOWYLCFKYLO-UHFFFAOYSA-N",381459,NA,"PDBC31942","668046","Present",NA,NA
+"31943","Benzyl ((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl ((2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)amino)acetate",NA,"CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C","OPIFEPSSCWNBEK-UHFFFAOYSA-N",381414,NA,"PDBC31943","668002","Present",NA,NA
+"31944","Benzyl (2R)-1-[3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (2R)-1-[3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidin",NA,"CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C","YPGFSHLFWFQPBF-UQEYLCTJSA-N",54608164,NA,"PDBC31944","653627","Present",NA,NA
+"31945","Benzyl (2R)-2-tert-butyl-4-oxoimidazolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674223",NA,"CC(C)(C)C1NC(=O)CN1C(=O)OCC2=CC=CC=C2","HWHOGNGWQGUQPS-CYBMUJFWSA-N",384442,NA,"PDBC31945","674223","Present",NA,NA
+"31946","Benzyl (2R)-3-acetyloxy-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (2R)-3-acetyloxy-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]butanoate",NA,"CC(C)CC(C(=O)NC(C(C)OC(=O)C)C(=O)OCC1=CC=CC=C1)N(C)C(=O)C2CCCN2C(=O)C(C)O","OCOCOWRNJWTDAE-VGZPHMFRSA-N",380328,NA,"PDBC31946","665812","Present",NA,NA
+"31947","Benzyl (2S)-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (2S)-1-[(2S)-3-methyl-2-[methyl-[(2S)-3-methyl-2-[methyl-[2-[methyl-[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoyl]pyrro",NA,"CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C","YPGFSHLFWFQPBF-JPIUROGKSA-N",54604791,NA,"PDBC31947","653626","Present",NA,NA
+"31948","Benzyl (2S)-2-[[(2R)-2-[[(1S)-1-[(4-tert-butoxyphenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]propanoyl]amino]-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (2S)-2-[[(2R)-2-[[(2S)-1-methoxy-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]amino]propanoyl]amino]-3-phenylpropanoate",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(CC3=CC=C(C=C3)OC(C)(C)C)C(=O)OC","HIWUKJKPRAXVBM-MGONOCMRSA-N",383717,NA,"PDBC31948","672142","Present",NA,NA
+"31949","Benzyl (2S)-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-3-[3-(4-methoxyphenyl)propanoyloxy]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (2S)-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-3-[3-(4-methoxyphenyl)propanoyloxy]butanoate",NA,"CC(C)CC(C(=O)NC(C(C)OC(=O)CCC1=CC=C(C=C1)OC)C(=O)OCC2=CC=CC=C2)N(C)C(=O)C3CCCN3C(=O)C(C)O","KHFJERKPEDPAAW-HRQVLUSOSA-N",380327,NA,"PDBC31949","665811","Present",NA,NA
+"31950","Benzyl (2S)-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (2S)-2-[methyl-[(2S)-1-[(2S)-3-methyl-2-[methyl-[3-methyl-2-[methyl-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]butanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C","NBPDCCDFSFTGBG-AFFBGLGGSA-N",6712043,NA,"PDBC31950","653624","Present",NA,NA
+"31951","Benzyl (2S)-2-tert-butyl-4-oxoimidazolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674224",NA,"CC(C)(C)C1NC(=O)CN1C(=O)OCC2=CC=CC=C2","HWHOGNGWQGUQPS-ZDUSSCGKSA-N",384443,NA,"PDBC31951","674224","Present",NA,NA
+"31952","Benzyl (3-(2-(4-(((6-(((4-(2-(5-((((benzyloxy)carbonyl)amino)carbonyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethyl)-1-piperazinyl)carbonyl)amino)hexyl)amino)carbonyl)-1-piperazinyl)ethyl)-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinyl)carbonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-[2-[4-[6-[[4-[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,"C1CN(CCN1CCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC3=CC=CC=C3)C(=O)NCCCCCCNC(=O)N4CCN(CC4)CCN5C=C(C(=O)NC5=O)C(=O)NC(=O)OCC6=CC=CC=C6","WPLFVCNOPSCVDA-UHFFFAOYSA-N",361685,NA,"PDBC31952","624904","Present",NA,NA
+"31953","Benzyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate",NA,"CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2C(=O)OCC4=CC=CC=C4)CC5=CC=CC=C5)OC","RRKRJFDFMPHWGH-DXJNIWACSA-N",5387230,NA,"PDBC31953","622072","Present",NA,NA
+"31954","Benzyl (4R)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (4R)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate",NA,"CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2","AKEVYRPJLADBDC-HHHXNRCGSA-N",367890,NA,"PDBC31954","638067","Present",NA,NA
+"31955","Benzyl (4S)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (4S)-5-(dipentylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoate",NA,"CCCCCN(CCCCC)C(=O)C(CCC(=O)OCC1=CC=CC=C1)NC(=O)C2=CC3=CC=CC=C3N2","AKEVYRPJLADBDC-MHZLTWQESA-N",367891,NA,"PDBC31955","638068","Present",NA,NA
+"31956","Benzyl (E)-3-(benzyloxycarbonylamino)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (E)-3-(benzyloxycarbonylamino)prop-2-enoate",NA,"C1=CC=C(C=C1)COC(=O)C=CNC(=O)OCC2=CC=CC=C2","HDUHFEQMNKWXKK-VAWYXSNFSA-N",5468300,NA,"PDBC31956","668056","Present",NA,NA
+"31957","Benzyl (diphenylphosphoryl)methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl (diphenylphosphoryl)methylcarbamate",NA,"C1=CC=C(C=C1)COC(=O)NCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","OSEFGVZNAGCXPR-UHFFFAOYSA-N",382166,NA,"PDBC31957","669624","Present",NA,NA
+"31958","Benzyl 1,4,7-triazonane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 1,4,7-triazonane-1-carboxylate",NA,"C1CNCCN(CCN1)C(=O)OCC2=CC=CC=C2","ALDGMKCIQIASGB-UHFFFAOYSA-N",387348,NA,"PDBC31958","681102","Present",NA,NA
+"31959","Benzyl 1-((((methoxycarbonyl)amino)carbonyl)amino)-2-phenylethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 1-((((methoxycarbonyl)amino)carbonyl)amino)-2-phenylethylcarbamate",NA,"COC(=O)NC(=O)NC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","ODHFFXDSSPLSPN-UHFFFAOYSA-N",381631,NA,"PDBC31959","668453","Present",NA,NA
+"31960","Benzyl 1-(2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 1-(2-((tert-butoxycarbonyl)amino)-3-methylbutanoyl)-2-pyrrolidinecarboxylate",NA,"CC(C)C(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","AXXCQAWGCJGDKN-UHFFFAOYSA-N",381421,NA,"PDBC31960","668009","Present",NA,NA
+"31961","Benzyl 1-(2-(acetylamino)-3-methylbutanoyl)-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 1-(2-(acetylamino)-3-methylbutanoyl)-2-pyrrolidinecarboxylate",NA,"CC(C)C(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)NC(=O)C","HPCAUARJFQDLKR-UHFFFAOYSA-N",381420,NA,"PDBC31961","668008","Present",NA,NA
+"31962","Benzyl 1-(3-chloro-4-fluoroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 1-(3-chloro-4-fluoroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,"C1=CC=C(C=C1)COC(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=CC(=C(C=C2)F)Cl","OOEABJDRXFVFAF-UHFFFAOYSA-N",383590,NA,"PDBC31962","672008","Present",NA,NA
+"31963","Benzyl 1-(4-(5-(2-(((benzyloxy)carbonyl)amino)-3-hydroxypropyl)-2-methoxyphenoxy)benzyl)-2-hydroxyethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-hydroxy-3-[4-[5-[3-hydroxy-2-(phenylmethoxycarbonylamino)propyl]-2-methoxyphenoxy]phenyl]propan-2-yl]carbamate",NA,"COC1=C(C=C(C=C1)CC(CO)NC(=O)OCC2=CC=CC=C2)OC3=CC=C(C=C3)CC(CO)NC(=O)OCC4=CC=CC=C4","FMLUCLZWFAAGLK-UHFFFAOYSA-N",392691,NA,"PDBC31963","693409","Present",NA,NA
+"31964","Benzyl 1-(4-(benzyloxy)benzyl)-2-((6,9-dibenzyl-3-isobutyl-2,5,8,11-tetraoxo-1,4,7,10-tetraazacyclotetradecan-12-yl)amino)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-[[6,9-dibenzyl-3-(2-methylpropyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazacyclotetradec-12-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]carbamate",NA,"CC(C)CC1C(=O)NCCC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)OCC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6","DSJIJQWNQZFVBL-UHFFFAOYSA-N",495914,NA,"PDBC31964","672672","Present",NA,NA
+"31965","Benzyl 1-(benzenesulfonyl)-4-[(E)-2-dimethoxyphosphorylvinyl]pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 1-(benzenesulfonyl)-4-[(E)-2-dimethoxyphosphorylvinyl]pyrrole-2-carboxylate",NA,"COP(=O)(C=CC1=CN(C(=C1)C(=O)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3)OC","CPEWHUZWBUCGMW-BUHFOSPRSA-N",5468940,NA,"PDBC31965","679533","Present",NA,NA
+"31966","Benzyl 1-(benzenesulfonyl)benzimidazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 1-(benzenesulfonyl)benzimidazole-2-carboxylate",NA,"C1=CC=C(C=C1)COC(=O)C2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4","QMZIJOGWTWJYQG-UHFFFAOYSA-N",396970,NA,"PDBC31966","704207","Present",NA,NA
+"31967","Benzyl 1-(benzyloxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 1-(benzyloxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,"C1=CC=C(C=C1)COC(=O)NC(C(F)(F)F)(C(F)(F)F)OCC2=CC=CC=C2","CAJIYBQPTQEHJJ-UHFFFAOYSA-N",383591,NA,"PDBC31967","672009","Present",NA,NA
+"31968","Benzyl 1-(phenylmethoxycarbonylamino)pent-4-en-2-yl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 1-({[(benzyloxy)carbonyl]amino}methyl)but-3-en-1-yl carbonate",NA,"C=CCC(CNC(=O)OCC1=CC=CC=C1)OC(=O)OCC2=CC=CC=C2","QVNKJQCFLRMXGV-UHFFFAOYSA-N",401741,NA,"PDBC31968","715471","Present",NA,NA
+"31969","Benzyl 1-[3,5-bis(1-benzyloxycarbonylcyclopentyl)-1,3,5-triazinan-1-yl]cyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 1-[3,5-bis(1-benzyloxycarbonylcyclopentyl)-1,3,5-triazinan-1-yl]cyclopentanecarboxylate",NA,"C1CCC(C1)(C(=O)OCC2=CC=CC=C2)N3CN(CN(C3)C4(CCCC4)C(=O)OCC5=CC=CC=C5)C6(CCCC6)C(=O)OCC7=CC=CC=C7","ZKHONARRQFFMHE-UHFFFAOYSA-N",378560,NA,"PDBC31969","661197","Present",NA,NA
+"31970","Benzyl 1-aminocyclopentanecarboxylate 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanecarboxylic acid, 1-amino-, benzyl ester, p-t...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC(C1)(C(=O)OCC2=CC=CC=C2)N","JSLBQWTZDSOEJN-UHFFFAOYSA-N",254983,NA,"PDBC31970","80126","Present",NA,NA
+"31971","Benzyl 1-benzyl-2-(methoxy(methyl)amino)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z28073393",NA,"CN(C(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC","VAZMRCRWGLSXOE-UHFFFAOYSA-N",375611,NA,"PDBC31971","655433","Present",NA,NA
+"31972","Benzyl 10-(benzenesulfonyl)-1,3,4,5-tetrahydroazepino[3,4-b]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 10-(benzenesulfonyl)-1,3,4,5-tetrahydroazepino[3,4-b]indole-2-carboxylate",NA,"C1CC2=C(CN(C1)C(=O)OCC3=CC=CC=C3)N(C4=CC=CC=C24)S(=O)(=O)C5=CC=CC=C5","ODYWQXOKFDDQKG-UHFFFAOYSA-N",398037,NA,"PDBC31972","707110","Present",NA,NA
+"31973","Benzyl 12-((methylamino)carbonyl)-2,6-dioxo-1,7-diazacyclododecan-3-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 12-((methylamino)carbonyl)-2,6-dioxo-1,7-diazacyclododecan-3-ylcarbamate",NA,"CNC(=O)C1CCCCNC(=O)CCC(C(=O)N1)NC(=O)OCC2=CC=CC=C2","XLPRJAIVGQZMKF-UHFFFAOYSA-N",382354,NA,"PDBC31973","669824","Present",NA,NA
+"31974","Benzyl 2,2-dimethyl-5-[2-(p-tolylsulfonyloxy)ethyl]oxazolidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2,2-dimethyl-5-[2-(p-tolylsulfonyloxy)ethyl]oxazolidine-3-carboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCCC2CN(C(O2)(C)C)C(=O)OCC3=CC=CC=C3","DLKXMLAAIHDLTB-UHFFFAOYSA-N",390241,NA,"PDBC31974","687533","Present",NA,NA
+"31975","Benzyl 2,6-dimethoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2,6-methoxybenzoate",NA,"COC1=C(C(=CC=C1)OC)C(=O)OCC2=CC=CC=C2","PKIYLOACOOWBCU-UHFFFAOYSA-N",370912,NA,"PDBC31975","644650","Present",NA,NA
+"31976","Benzyl 2-((((tert-butoxycarbonyl)amino)acetyl)amino)-3-methylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-((((tert-butoxycarbonyl)amino)acetyl)amino)-3-methylbutanoate",NA,"CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C","RVGUTUVGUGJBBY-UHFFFAOYSA-N",381415,NA,"PDBC31976","668003","Present",NA,NA
+"31977","Benzyl 2-(((1-((2-((tert-butoxycarbonyl)amino)-3-phenylpropanoyl)(methyl)amino)cyclopentyl)carbonyl)amino)-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-[[1-[methyl-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]cyclopentanecarbonyl]amino]-3-phenylpropanoate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)C2(CCCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","FHYUDIJFVHEPML-UHFFFAOYSA-N",383841,NA,"PDBC31977","672457","Present",NA,NA
+"31978","Benzyl 2-(((1-(1H-imidazol-4-ylmethyl)-2-((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)-2-oxoethyl)amino)carbonyl)-5-oxo-1-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-[[3-(1H-imidazol-5-yl)-1-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CN=CN3)NC(=O)C4CCC(=O)N4C(=O)OCC5=CC=CC=C5","WVIROHQCACRCMC-UHFFFAOYSA-N",381719,NA,"PDBC31978","668579","Present",NA,NA
+"31979","Benzyl 2-(((2-(dimethylamino)ethyl)(methyl)amino)carbonyl)-1-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-(((2-(dimethylamino)ethyl)(methyl)amino)carbonyl)-1-pyrrolidinecarboxylate",NA,"CN(C)CCN(C)C(=O)C1CCCN1C(=O)OCC2=CC=CC=C2","XKWKOEZNHAXFIU-UHFFFAOYSA-N",374649,NA,"PDBC31979","652684","Present",NA,NA
+"31980","Benzyl 2-(((2-amino-2-oxoethyl)amino)carbonyl)-4-hydroxy-1-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-(((2-amino-2-oxoethyl)amino)carbonyl)-4-hydroxy-1-pyrrolidinecarboxylate",NA,"C1C(CN(C1C(=O)NCC(=O)N)C(=O)OCC2=CC=CC=C2)O","GYJFODQOAROVCD-UHFFFAOYSA-N",380386,NA,"PDBC31980","665903","Present",NA,NA
+"31981","Benzyl 2-(((benzyloxy)carbonyl)amino)-4-((methoxysulfonyl)oxy)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-(((benzyloxy)carbonyl)amino)-4-((methoxysulfonyl)oxy)butanoate",NA,"COS(=O)(=O)OCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","BGOMXJFOPCGPMZ-UHFFFAOYSA-N",369331,NA,"PDBC31981","641085","Present",NA,NA
+"31982","Benzyl 2-(((benzyloxy)carbonyl)amino)-5-oxo-1-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-(((benzyloxy)carbonyl)amino)-5-oxo-1-pyrrolidinecarboxylate",NA,"C1CC(=O)N(C1NC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","HEZYDORZZQHDTJ-UHFFFAOYSA-N",381440,NA,"PDBC31982","668028","Present",NA,NA
+"31983","Benzyl 2-((2,5-dibenzyl-13-isobutyl-4,7,11,14-tetraoxo-1,3,6,12-tetraazacyclotetradecan-8-yl)amino)-1-(4-hydroxybenzyl)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-[[2,5-dibenzyl-13-(2-methylpropyl)-4,7,11,14-tetraoxo-1,3,6,12-tetrazacyclotetradec-8-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamate",NA,"CC(C)CC1C(=O)NC(NC(=O)C(NC(=O)C(CCC(=O)N1)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5","PZWXDQGRHBKQCT-UHFFFAOYSA-N",495902,NA,"PDBC31983","672429","Present",NA,NA
+"31984","Benzyl 2-((4-(((1-(aminocarbonyl)-2-(benzyloxy)propyl)amino)carbonyl)-16-benzyl-10-(4-(((benzyloxy)carbonyl)amino)butyl)-7-(1-(benzyloxy)ethyl)-13-((1-formyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-benzyl-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-[[4-[(1-amino-1-oxo-3-phenylmethoxybutan-2-yl)carbamoyl]-16-benzyl-13-[(1-formylindol-3-yl)methyl]-6,9,12,15,18-pentaoxo-10-[4-(phenylmethoxycarbonylamino)butyl]-7-(1-phenylmethoxyethyl)-1",NA,"CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCNC(=O)OCC2=CC=CC=C2)CC3=CN(C4=CC=CC=C43)C=O)CC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)C(=O)NC(C(C)OCC8=CC=CC=C8)C(=O)N)OCC9=CC=CC=C9","BLKXLTXEQJHNQN-UHFFFAOYSA-N",16129804,NA,"PDBC31984","672464","Present",NA,NA
+"31985","Benzyl 2-(2,4-dichloro-3,6-dioxo-1,4-cyclohexadien-1-yl)-3-methoxy-5-methylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-(2,4-dichloro-3,6-dioxo-1,4-cyclohexadie...",NA,"CC1=CC(=C(C(=C1)OC)C2=C(C(=O)C(=CC2=O)Cl)Cl)C(=O)OCC3=CC=CC=C3","UKFURPNHXZCONV-UHFFFAOYSA-N",371957,NA,"PDBC31985","646768","Present",NA,NA
+"31986","Benzyl 2-(2-furyl)-2-(2-oxo-4,5-diphenyl-oxazolidin-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Furanacetic acid, .alpha.-(4,5-diphenyl-2-oxo- 3-oxazo...",NA,"CC(C1=CC=CO1)(C(=O)OCC2=CC=CC=C2)N3C(C(OC3=O)C4=CC=CC=C4)C5=CC=CC=C5","MMAQOLXIJOLRGN-UHFFFAOYSA-N",387338,NA,"PDBC31986","681082","Present",NA,NA
+"31987","Benzyl 2-(4,4-dimethyl-5-oxo-4,5-dihydro-1,3-oxazol-2-yl)-1-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-(4,4-dimethyl-5-oxo-4,5-dihydro-1,3-oxazol-2-yl)-1-pyrrolidinecarboxylate",NA,"CC1(C(=O)OC(=N1)C2CCCN2C(=O)OCC3=CC=CC=C3)C","POPXRNKLFMNRPF-UHFFFAOYSA-N",380173,NA,"PDBC31987","665619","Present",NA,NA
+"31988","Benzyl 2-(benzyloxycarbonylamino)-6-(methylcarbamoylamino)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634762",NA,"CNC(=O)NCCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","IGLFPEGNMYCAPK-UHFFFAOYSA-N",366393,NA,"PDBC31988","634762","Present",NA,NA
+"31989","Benzyl 2-(benzyloxycarbonylamino)-6-(prop-2-ynylcarbamoylamino)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634766",NA,"C#CCNC(=O)NCCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","NIPLJZQDWNZBAK-UHFFFAOYSA-N",366397,NA,"PDBC31989","634766","Present",NA,NA
+"31990","Benzyl 2-(dibenzylamino)-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-(dibenzylamino)-3-phenylpropanoate",NA,"C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)N(CC3=CC=CC=C3)CC4=CC=CC=C4","XOAGXYJGAZOTAA-UHFFFAOYSA-N",375616,NA,"PDBC31990","655438","Present",NA,NA
+"31991","Benzyl 2-(dibenzylamino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-(dibenzylamino)propanoate",NA,"CC(C(=O)OCC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3","MNOBWYXQIILDKX-UHFFFAOYSA-N",375615,NA,"PDBC31991","655437","Present",NA,NA
+"31992","Benzyl 2-[1-(2-pyridinyl)ethylidene]hydrazinecarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbodithioic acid, [1-(2-pyridinyl)ethylidene]...",NA,"CC(=NNC(=S)SCC1=CC=CC=C1)C2=CC=CC=N2","GAPPGYVPJUGIHP-SFQUDFHCSA-N",5955229,NA,"PDBC31992","295641","Present",NA,NA
+"31993","Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CC=CC=C2","XOKJQPSAIVTLPX-UHFFFAOYSA-N",382188,NA,"PDBC31993","669647","Present",NA,NA
+"31994","Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-[4-(6-oxoheptanoylamino)phenyl]propanoyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-[[2-(tert-butoxycarbonylamino)-3-[4-(6-oxoheptanoylamino)phenyl]propanoyl]amino]acetate",NA,"CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","IFMQUVIQCQQGNB-UHFFFAOYSA-N",382246,NA,"PDBC31994","669701","Present",NA,NA
+"31995","Benzyl 2-[[2-[2-(hydrazinecarbonyl)pyrrolidin-1-yl]-2-oxo-1-[[1-(p-tolylsulfonyl)imidazol-4-yl]methyl]ethyl]carbamoyl]-5-oxo-pyrrolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-[[1-[2-(hydrazinecarbonyl)pyrrolidin-1-yl]-3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-1-oxopropan-2-yl]carbamoyl]-5-oxopyrrolidine-1-carboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)N3CCCC3C(=O)NN)NC(=O)C4CCC(=O)N4C(=O)OCC5=CC=CC=C5","XOSWSIQCKFGJCJ-UHFFFAOYSA-N",381638,NA,"PDBC31995","668460","Present",NA,NA
+"31996","Benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655092///NSC655097",NA,"CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","GVJPJTSQBZTISS-UHFFFAOYSA-N",375406,NA,"PDBC31996","655092///655097","Present",NA,NA
+"31997","Benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-methyl-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoate",NA,"CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C","MOKNECDFMWANRX-UHFFFAOYSA-N",386866,NA,"PDBC31997","679680","Present",NA,NA
+"31998","Benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3","JPDGNINPUJKJHT-UHFFFAOYSA-N",382709,NA,"PDBC31998","670358","Present",NA,NA
+"31999","Benzyl 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-methyl-2-[methyl-[3-methyl-2-[methyl-[2-[methyl-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]-3-phenylpropanoyl]amino]butanoyl]amino]butanoate",NA,"CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","BEYZZJDYUHCXFJ-UHFFFAOYSA-N",375408,NA,"PDBC31999","655094","Present",NA,NA
+"32000","Benzyl 2-[[2-[[2-[[2-[(2-acetamido-5-acetoxy-pentanoyl)amino]-5-acetoxy-pentanoyl]amino]-5-acetoxy-pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-[[2-[[2-[[2-[(2-acetamido-5-acetyloxypentanoyl)amino]-5-acetyloxypentanoyl]amino]-5-acetyloxypentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]acetate",NA,"CC(=O)NC(CCCOC(=O)C)C(=O)NC(CCCOC(=O)C)C(=O)NC(CCCOC(=O)C)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CC=CC=C2","HLZXXSFJYGCAIQ-UHFFFAOYSA-N",382200,NA,"PDBC32000","669660","Present",NA,NA
+"32001","Benzyl 2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-methyl-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-phenylpropanoyl]amino]pentanoate",NA,"CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C","QRTAICOFOHHOKD-UHFFFAOYSA-N",382711,NA,"PDBC32001","670360","Present",NA,NA
+"32002","Benzyl 2-[[2-[[5-acetoxy-2-[[5-acetoxy-2-(tert-butoxycarbonylamino)pentanoyl]amino]pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-[[2-[[5-acetyloxy-2-[[5-acetyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]acetate",NA,"CC(=O)OCCCC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CC=CC=C2)NC(=O)C(CCCOC(=O)C)NC(=O)OC(C)(C)C","HWOJSVRZQACTNO-UHFFFAOYSA-N",383814,NA,"PDBC32002","672430","Present",NA,NA
+"32003","Benzyl 2-[[3-methyl-2-[[2-[[1-[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]butanoyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668012///NSC672645",NA,"CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)OC(C)(C)C","YGIGXZFRKIRMJN-UHFFFAOYSA-N",381424,NA,"PDBC32003","668012///672645","Present",NA,NA
+"32004","Benzyl 2-[[3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-[[3-tert-butoxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoate",NA,"CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)OC(C)(C)C","YOOLJUIABWGTAR-UHFFFAOYSA-N",383838,NA,"PDBC32004","672454","Present",NA,NA
+"32005","Benzyl 2-amino-3-(5-phenylmethoxypyridin-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-amino-3-(5-(benzyloxy)-2-pyridinyl)propanoate",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)N","PQGHNFKUZUGOKQ-UHFFFAOYSA-N",385341,NA,"PDBC32005","676459","Present",NA,NA
+"32006","Benzyl 2-benzyloxycarbonylamino-3-[4-bis(dimethylamino)phosphoryloxyphenyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-benzyloxycarbonylamino-3-[4-bis(dimethylamino)phosphoryloxyphenyl]propanoate",NA,"CN(C)P(=O)(N(C)C)OC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","FAZQXRXLWNQGAS-UHFFFAOYSA-N",399741,NA,"PDBC32006","710836","Present",NA,NA
+"32007","Benzyl 2-benzyloxycarbonylamino-3-[4-bis(isobutylamino)phosphoryloxyphenyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-benzyloxycarbonylamino-3-[4-bis(isobutylamino)phosphoryloxyphenyl]propanoate",NA,"CC(C)CNP(=O)(NCC(C)C)OC1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","LTESKOSPRGXKCU-UHFFFAOYSA-N",399740,NA,"PDBC32007","710835","Present",NA,NA
+"32008","Benzyl 2-imino-5,5-dimethyl-4-oxo-1-imidazolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-imino-5,5-dimethyl-4-oxo-1-imidazolidinecarboxylate",NA,"CC1(C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N)C","ZVOMYHFIMNTNQY-UHFFFAOYSA-N",386662,NA,"PDBC32008","679188","Present",NA,NA
+"32009","Benzyl 2-phenylhydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AOCSTDDQEMIYAG-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)COC(=O)NNC2=CC=CC=C2","AOCSTDDQEMIYAG-UHFFFAOYSA-N",291832,NA,"PDBC32009","157381","Present",NA,NA
+"32010","Benzyl 2-{[(tert-butoxy)carbonyl]amino}acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Gly-Obzl",NA,"CC(C)(C)OC(=O)NCC(=O)OCC1=CC=CC=C1","LYAICJLTIXLJAQ-UHFFFAOYSA-N",357720,NA,"PDBC32010","617237","Present",NA,NA
+"32011","Benzyl 3,5-dibromo-2-(dimethylcarbamoyloxy)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3,5-dibromo-2-(dimethylcarbamoyloxy)benzoate",NA,"CN(C)C(=O)OC1=C(C=C(C=C1Br)Br)C(=O)OCC2=CC=CC=C2","FHQZUBIFNAGWQL-UHFFFAOYSA-N",358984,NA,"PDBC32011","619191","Present",NA,NA
+"32012","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1,1-dimethyl-2-(neopentyloxy)-2-oxoethyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-[[1-(2,2-dimethylpropoxy)-2-methyl-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate",NA,"CC(C)(C)COC(=O)C(C)(C)NC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","BSVQJVWLXOJEEF-UHFFFAOYSA-N",383891,NA,"PDBC32012","672677","Present",NA,NA
+"32013","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1-(3-hydroxybenzyl)-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-[[3-(3-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate",NA,"COC(=O)C(CC1=CC(=CC=C1)O)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","UYAHRKPRJYGHTE-UHFFFAOYSA-N",381726,NA,"PDBC32013","668585","Present",NA,NA
+"32014","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1-(4-hydroxybenzyl)-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-[[3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate",NA,"COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","QDJYTRYMUGWSRM-UHFFFAOYSA-N",381634,NA,"PDBC32014","668456","Present",NA,NA
+"32015","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((2,2-dimethyl-3,7,14-trioxo-1,4,8-triazacyclotetradecan-13-yl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-[(2,2-dimethyl-3,7,14-trioxo-1,4,8-triazacyclotetradec-13-yl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate",NA,"CC1(C(=O)NCCC(=O)NCCCCC(C(=O)N1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C","GWPAZEWBGZVUNH-UHFFFAOYSA-N",382291,NA,"PDBC32015","669753","Present",NA,NA
+"32016","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((2-methoxy-1-(2-methoxybenzyl)-2-oxoethyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-[[1-methoxy-3-(2-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate",NA,"COC1=CC=CC=C1CC(C(=O)OC)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","PRWHJDRMQTTXFH-UHFFFAOYSA-N",381725,NA,"PDBC32016","668584","Present",NA,NA
+"32017","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-(4-cyanoanilino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-(4-cyanoanilino)-4-oxobutanoate",NA,"C1=CC=C(C=C1)COC(=O)CC(C(=O)NC2=CC=C(C=C2)C#N)NC(=O)OCC3=CC=CC=C3","OBUAVCXMMQVBFH-UHFFFAOYSA-N",382220,NA,"PDBC32017","669677","Present",NA,NA
+"32018","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-oxo-4-((1-oxo-2,3-dihydro-1H-inden-2-yl)amino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-oxo-4-((1-oxo-2,3-dihydro-1H-inden-2-yl)amino)butanoate",NA,"C1C(C(=O)C2=CC=CC=C21)NC(=O)C(CC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","PAERWINHNYSKGS-UHFFFAOYSA-N",381453,NA,"PDBC32018","668041","Present",NA,NA
+"32019","Benzyl 3-(((benzyloxy)carbonyl)amino)-4-oxo-4-((1-phenylethyl)amino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-oxo-4-((1-phenylethyl)amino)butanoate",NA,"CC(C1=CC=CC=C1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","FXMSGXQDOWUWBG-UHFFFAOYSA-N",381454,NA,"PDBC32019","668042","Present",NA,NA
+"32020","Benzyl 3-((4-(((benzyloxy)carbonyl)amino)butyl)amino)propylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-((4-(((benzyloxy)carbonyl)amino)butyl)amino)propylcarbamate",NA,"C1=CC=C(C=C1)COC(=O)NCCCCNCCCNC(=O)OCC2=CC=CC=C2","AYTWVUUJRQPCGH-UHFFFAOYSA-N",389619,NA,"PDBC32020","685965","Present",NA,NA
+"32021","Benzyl 3-(2-aminoethyl)indoline-1-carboxylate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-(2-aminoethyl)indoline-1-carboxylate hydrochloride",NA,"C1C(C2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3)CCN.Cl","FJRPXPUPXPEXRC-UHFFFAOYSA-N",394097,NA,"PDBC32021","697235","Present",NA,NA
+"32022","Benzyl 3-(2-benzyloxycarbonylaminoethyl)indoline-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-(2-benzyloxycarbonylaminoethyl)indoline-1-carboxylate",NA,"C1C(C2=CC=CC=C2N1C(=O)OCC3=CC=CC=C3)CCNC(=O)OCC4=CC=CC=C4","MBDINGFUDRFUNN-UHFFFAOYSA-N",394094,NA,"PDBC32022","697232","Present",NA,NA
+"32023","Benzyl 3-(3,4-bis(benzyloxy)phenyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-(3,4-bis(benzyloxy)phenyl)acrylate",NA,"C1=CC=C(C=C1)COC2=C(C=C(C=C2)C=CC(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4","YIRBVYWXBGXDBH-HTXNQAPBSA-N",5476010,NA,"PDBC32023","175295","Present",NA,NA
+"32024","Benzyl 3-(5-(benzyloxy)-2-pyridinyl)-2-((trifluoroacetyl)amino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-(5-(benzyloxy)-2-pyridinyl)-2-((trifluoroacetyl)amino)propanoate",NA,"C1=CC=C(C=C1)COC2=CN=C(C=C2)CC(C(=O)OCC3=CC=CC=C3)NC(=O)C(F)(F)F","KFUBHBIVZQKSHE-UHFFFAOYSA-N",385342,NA,"PDBC32024","676460","Present",NA,NA
+"32025","Benzyl 3-(benzyloxycarbonylamino)-4-[(1-cyclohexyl-2-methoxy-2-oxo-ethyl)amino]-4-oxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-(((benzyloxy)carbonyl)amino)-4-((1-cyclohexyl-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate",NA,"COC(=O)C(C1CCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","CMWCUINOOXKXIL-UHFFFAOYSA-N",495917,NA,"PDBC32025","672676","Present",NA,NA
+"32026","Benzyl 3-(benzyloxycarbonylamino)-4-oxo-4-(2-oxochroman-3-ylamino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzyl 3-(benzyloxycarbonylamino)-4-oxo-4-(2-oxochroman-...",NA,"C1C(C(=O)OC2=CC=CC=C21)NC(=O)C(CC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","NTZYPYYMADBLGL-NQCNTLBGSA-N",6477462,NA,"PDBC32026","668038","Present",NA,NA
+"32027","Benzyl 3-(hydroxycarbamoyl)-4-(4-methoxyphenyl)sulfonylpiperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MMP-9/MMP-13 Inhibitor ll CalBioChem Cat. No. 444253",NA,"COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)OCC3=CC=CC=C3","DNGGPLKVDUPXFN-UHFFFAOYSA-N",4230,NA,"PDBC32027","727679","Present",NA,NA
+"32028","Benzyl 3-[(1-benzyl-2-methoxy-2-oxo-ethyl)amino]-2-(benzyloxycarbonylaminomethyl)-3-oxo-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668022///NSC668049",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","XAFZYZVDMDRGIM-UHFFFAOYSA-N",381434,NA,"PDBC32028","668022///668049","Present",NA,NA
+"32029","Benzyl 3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-2,3-dihydroindole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-[2-[(1S,4aR,8aR)-1-methyl-3,6-dioxo-1,4,4a,5,8,8a-hexahydropyrano[3,4-c]pyridin-7-yl]ethyl]-2,3-dihydroindole-1-carboxylate",NA,"CC1C2CN(C(=O)CC2CC(=O)O1)CCC3CN(C4=CC=CC=C34)C(=O)OCC5=CC=CC=C5","AMOLYMXAGMCJFB-LPUHPQLJSA-N",394092,NA,"PDBC32029","697230","Present",NA,NA
+"32030","Benzyl 3-[2-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-4,5-dimethyl-1H-pyrrol-3-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Benzyl 3-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)...",NA,"CC1=C(NC(=C1CCC(=O)OCC2=CC=CC=C2)C=C3C(=CC(=N3)C4=CC=CN4)OC)C","WQESIZIROXOHNS-OYKKKHCWSA-N",155816757,NA,"PDBC32030","787814","Present",NA,NA
+"32031","Benzyl 3-[2-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-5-methyl-4-(2-oxo-2-phenylmethoxyethyl)-1H-pyrrol-3-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Methyl 3-(2-((4-methoxy-1H,1'H-[2,2'-bipyrrol]-5-yl)...",NA,"CC1=C(C(=C(N1)C=C2C(=CC(=N2)C3=CC=CN3)OC)CCC(=O)OCC4=CC=CC=C4)CC(=O)OCC5=CC=CC=C5","USTAAUUJWZWDMI-DXJNIWACSA-N",155813678,NA,"PDBC32031","787815","Present",NA,NA
+"32032","Benzyl 3-[2-[[(Z)-3-(2-methoxy-2-oxoethyl)hex-4-enoyl]amino]ethyl]-2,3-dihydroindole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-[2-[[(Z)-3-(2-methoxy-2-oxoethyl)hex-4-enoyl]amino]ethyl]-2,3-dihydroindole-1-carboxylate",NA,"CC=CC(CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)OCC3=CC=CC=C3)CC(=O)OC","ZDQPRVMDJROIKV-OQFOIZHKSA-N",5470061,NA,"PDBC32032","697233","Present",NA,NA
+"32033","Benzyl 3-[2-[[(Z)-3-(2-methoxy-2-oxoethyl)hex-4-enoyl]amino]ethyl]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-[2-[[(Z)-3-(2-methoxy-2-oxoethyl)hex-4-enoyl]amino]ethyl]indole-1-carboxylate",NA,"CC=CC(CC(=O)NCCC1=CN(C2=CC=CC=C21)C(=O)OCC3=CC=CC=C3)CC(=O)OC","JCHSFHOCEMWGDI-OQFOIZHKSA-N",5470060,NA,"PDBC32033","697231","Present",NA,NA
+"32034","Benzyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)OCC3=CC=CC=C3","XJBAFJDKHHHXER-UHFFFAOYSA-N",404279,NA,"PDBC32034","720462","Present",NA,NA
+"32035","Benzyl 4,6-dioxo-2-(2-phenylethyl)hexahydro-5-pyrimidinylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4,6-dioxo-2-(2-phenylethyl)hexahydro-5-pyrimidinylcarbamate",NA,"C1=CC=C(C=C1)CCC2NC(=O)C(C(=O)N2)NC(=O)OCC3=CC=CC=C3","DSWRULVTMNXWHX-UHFFFAOYSA-N",383836,NA,"PDBC32035","672452","Present",NA,NA
+"32036","Benzyl 4-((2,5-dihydroxybenzyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]-, b...",NA,"C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NCC3=C(C=CC(=C3)O)O","DBMOJKQLJLJRSN-UHFFFAOYSA-N",386490,NA,"PDBC32036","678634","Present",NA,NA
+"32037","Benzyl 4-((2-((2-amino-1-methyl-2-oxoethyl)amino)-1,1-dimethyl-2-oxoethyl)amino)-3-(((benzyloxy)carbonyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-[[1-[(1-amino-1-oxopropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate",NA,"CC(C(=O)N)NC(=O)C(C)(C)NC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","ASQGMHZTUYEPCB-UHFFFAOYSA-N",383828,NA,"PDBC32037","672445","Present",NA,NA
+"32038","Benzyl 4-((2-amino-1,1-dimethyl-2-oxoethyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-((2-amino-1,1-dimethyl-2-oxoethyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate",NA,"CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)N","QCPSBURGPQYXJM-UHFFFAOYSA-N",382319,NA,"PDBC32038","669777","Present",NA,NA
+"32039","Benzyl 4-((7-(2-(4-((benzyloxy)carbonyl)-1-piperazinyl)-2-oxoethyl)-4,10-bis(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetyl)-1-piperazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,7,10-Tetraazacyclododecane-1,7-diacetic acid, 4,10-b...",NA,"CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)N2CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)OC(C)(C)C)CC(=O)N4CCN(CC4)C(=O)OCC5=CC=CC=C5","KGXSNQOZVFIMKQ-UHFFFAOYSA-N",393893,NA,"PDBC32039","696853","Present",NA,NA
+"32040","Benzyl 4-((tert-butoxycarbonyl)amino)-5-((3-hydroxypropyl)amino)-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-((tert-butoxycarbonyl)amino)-5-((3-hydroxypropyl)amino)-5-oxopentanoate",NA,"CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NCCCO","DDIUYMIKOYGTHA-UHFFFAOYSA-N",381614,NA,"PDBC32040","668427","Present",NA,NA
+"32041","Benzyl 4-(3-methoxy-3-oxopropyl)-3-methyl-5-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-(3-methoxy-3-oxopropyl)-3-methyl-5-(1H-pyrrol-2-ylmethyl)-1H-pyrrole-2-carboxylate",NA,"CC1=C(NC(=C1CCC(=O)OC)CC2=CC=CN2)C(=O)OCC3=CC=CC=C3","WZLMHSMRIDNPFX-UHFFFAOYSA-N",382163,NA,"PDBC32041","669611","Present",NA,NA
+"32042","Benzyl 4-(3-methoxy-3-oxopropyl)-5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2-methyl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Benzyl 4-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)...",NA,"CC1=C(C(=C(N1)C=C2C(=CC(=N2)C3=CC=CN3)OC)CCC(=O)OC)C(=O)OCC4=CC=CC=C4","ZODDUABDZOMAPC-UCQKPKSFSA-N",155807408,NA,"PDBC32042","787817","Present",NA,NA
+"32043","Benzyl 4-(acetylamino)-5-(benzylamino)-5-oxopentylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-651",NA,"CC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2","XUSNIBQZEPHKPC-UHFFFAOYSA-N",370428,NA,"PDBC32043","643524","Present",NA,NA
+"32044","Benzyl 4-(hydroxymethyl)-2,2-dimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-(hydroxymethyl)-2,2-dimethyltetrahydro-5H-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate",NA,"CC1(OC2CN(C(C2O1)CO)C(=O)OCC3=CC=CC=C3)C","BAKQOXPWCAOVAA-UHFFFAOYSA-N",391522,NA,"PDBC32044","690770","Present",NA,NA
+"32045","Benzyl 4-(tert-butoxycarbonylamino)-5-[[2-[[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-1-[[4-(6-oxoheptanoylamino)phenyl]methyl]ethyl]amino]-5-oxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxo-3-[4-(6-oxoheptanoylamino)phenyl]propan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate",NA,"CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NCC(=O)NC)NC(=O)C(CCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","QKYMZJRKURWQMC-UHFFFAOYSA-N",382203,NA,"PDBC32045","669663","Present",NA,NA
+"32046","Benzyl 4-[3-(benzylideneamino)-4-methoxy-4-oxobutyl]-2-methoxypyrrolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-methoxy-4-(4-methoxy-4-oxo-3-{[(1e)-phenylmethylidene]amino}butyl)pyrrolidine-1-carboxylate",NA,"COC1CC(CN1C(=O)OCC2=CC=CC=C2)CCC(C(=O)OC)N=CC3=CC=CC=C3","GBRRITNADBFKAB-UHFFFAOYSA-N",401742,NA,"PDBC32046","715472","Present",NA,NA
+"32047","Benzyl 4-[5-(4-benzyloxy-4-oxo-butanoyl)-2,8-dimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl]-4-oxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-[2,8-dimethyl-5-(4-oxo-4-phenylmethoxybutanoyl)-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl]-4-oxobutanoate",NA,"CC1=CC2=C(C=C1)N(CC3=C(C=CC(=C3)C)N(C2)C(=O)CCC(=O)OCC4=CC=CC=C4)C(=O)CCC(=O)OCC5=CC=CC=C5","AZWDSOFMWCJIFU-UHFFFAOYSA-N",361908,NA,"PDBC32047","625320","Present",NA,NA
+"32048","Benzyl 4-aminobutyl(3-aminopropyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-aminobutyl(3-aminopropyl)carbamate",NA,"C1=CC=C(C=C1)COC(=O)N(CCCCN)CCCN","ADDDUQKJZAGBIG-UHFFFAOYSA-N",389610,NA,"PDBC32048","685957","Present",NA,NA
+"32049","Benzyl 4-formyl-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-formyl-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate",NA,"C1=CC=C(C=C1)COC(=O)C2=CC(=CN2S(=O)(=O)C3=CC=CC=C3)C=O","BQEFGBRFZMNZCR-UHFFFAOYSA-N",386824,NA,"PDBC32049","679532","Present",NA,NA
+"32050","Benzyl 4-oxo-4-[[2-oxo-2-propan-2-yloxy-1-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]ethyl]amino]-3-(phenylmethoxycarbonylamino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-oxo-4-[[2-oxo-2-propan-2-yloxy-1-[(2,2,5,5-tetramethylcyclopentanecarbonyl)amino]ethyl]amino]-3-(phenylmethoxycarbonylamino)butanoate",NA,"CC(C)OC(=O)C(NC(=O)C1C(CCC1(C)C)(C)C)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","YQDJINVMOUEKLQ-UHFFFAOYSA-N",383829,NA,"PDBC32050","672446","Present",NA,NA
+"32051","Benzyl 5-((1-benzyl-2-methoxy-2-oxoethyl)amino)-4-((tert-butoxycarbonyl)amino)-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-((1-benzyl-2-methoxy-2-oxoethyl)amino)-4-((tert-butoxycarbonyl)amino)-5-oxopentanoate",NA,"CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC","WPOWABXCIDJCMF-UHFFFAOYSA-N",381728,NA,"PDBC32051","668587","Present",NA,NA
+"32052","Benzyl 5-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-(2-cyano-3-ethoxy-3-oxo-1-propenyl)-3,4-dimethyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C(=CC1=C(C(=C(N1)C(=O)OCC2=CC=CC=C2)C)C)C#N","MPBVQSVVYMHVPJ-MHWRWJLKSA-N",5387570,NA,"PDBC32052","624862","Present",NA,NA
+"32053","Benzyl 5-(2-cyanoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-(2-cyanoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate",NA,"CC1(N(CC(O1)CCC#N)C(=O)OCC2=CC=CC=C2)C","YVAVBBCAJGIFED-UHFFFAOYSA-N",390242,NA,"PDBC32053","687534","Present",NA,NA
+"32054","Benzyl 5-(2-hydroxyethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-(2-hydroxyethyl)-2,2-dimethyl-oxazolidine-3-carboxylate",NA,"CC1(N(CC(O1)CCO)C(=O)OCC2=CC=CC=C2)C","PAHGBVUAOMNCFJ-UHFFFAOYSA-N",390240,NA,"PDBC32054","687532","Present",NA,NA
+"32055","Benzyl 5-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-(2-methoxy-2-oxoethyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate",NA,"CC1(N(CC(O1)CC(=O)OC)C(=O)OCC2=CC=CC=C2)C","YDUZMOPITJLACJ-UHFFFAOYSA-N",390239,NA,"PDBC32055","687531","Present",NA,NA
+"32056","Benzyl 5-(3-(benzyloxy)anilino)-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-(3-(benzyloxy)anilino)-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoate",NA,"C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","FXBFNQLCBHHWGQ-UHFFFAOYSA-N",382144,NA,"PDBC32056","669588","Present",NA,NA
+"32057","Benzyl 5-(4-(benzyloxy)anilino)-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glutamine, N(2)-[[(phenyl)methoxy]carbonyl]- N-[4-[(phen...",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","PUYIMLORCYIODG-UHFFFAOYSA-N",382143,NA,"PDBC32057","669587","Present",NA,NA
+"32058","Benzyl 5-(acetylamino)-6-(benzylamino)-6-oxohexylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-653",NA,"CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2","QCKOGSHUYPJMAE-UHFFFAOYSA-N",370429,NA,"PDBC32058","643525","Present",NA,NA
+"32059","Benzyl 5-(benzyloxycarbonylamino)-2-(prop-2-ynylcarbamoylamino)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634768",NA,"C#CCNC(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2","BPAATIDHNVHVFU-UHFFFAOYSA-N",366399,NA,"PDBC32059","634768","Present",NA,NA
+"32060","Benzyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride",NA,"CC1=C(NC(=C1C(=O)OCC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC.Cl","YRSPFSKBUWFBBW-SDKPGJOKSA-N",136040166,NA,"PDBC32060","753665","Present",NA,NA
+"32061","Benzyl 5-[[1-[[2-[[1-benzyl-2-oxo-2-(2,3,4,5,6-pentachlorophenoxy)ethyl]amino]-1-(benzyloxymethyl)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]amino]-4-(tert-butoxycarbonylamino)-5-oxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-[[4-methyl-1-oxo-1-[[1-oxo-1-[[1-oxo-1-(2,3,4,5,6-pentachlorophenoxy)-3-phenylpropan-2-yl]amino]-3-phenylmethoxypropan-2-yl]amino]pentan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-",NA,"CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl)NC(=O)C(CCC(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C","KPBMMGYTEAKHQE-UHFFFAOYSA-N",381792,NA,"PDBC32061","668871","Present",NA,NA
+"32062","Benzyl 5-[[5-benzyloxycarbonyl-3,4-bis(2-ethoxy-2-oxo-ethyl)-1H-pyrrol-2-yl]methyl]-3,4-bis(2-ethoxy-2-oxo-ethyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-[[3,4-bis(2-ethoxy-2-oxoethyl)-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl]methyl]-3,4-bis(2-ethoxy-2-oxoethyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)CC1=C(NC(=C1CC(=O)OCC)C(=O)OCC2=CC=CC=C2)CC3=C(C(=C(N3)C(=O)OCC4=CC=CC=C4)CC(=O)OCC)CC(=O)OCC","VYEVPFOSCLWIFY-UHFFFAOYSA-N",371503,NA,"PDBC32062","645798","Present",NA,NA
+"32063","Benzyl 5-amino-1-(((2-amino-2-oxoethyl)amino)carbonyl)pentylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-amino-1-(((2-amino-2-oxoethyl)amino)carbonyl)pentylcarbamate",NA,"C1=CC=C(C=C1)COC(=O)NC(CCCCN)C(=O)NCC(=O)N","XYEPOOWVNBMPFD-UHFFFAOYSA-N",382253,NA,"PDBC32063","669708","Present",NA,NA
+"32064","Benzyl 5-amino-4-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 5-amino-4-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-5-oxopentanoate",NA,"CC(C)CC(C(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C","UXLOBOBQZQUUPI-UHFFFAOYSA-N",382701,NA,"PDBC32064","670349","Present",NA,NA
+"32065","Benzyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCC3=CC=CC=C3","ZXLOPXPYTFWLLF-UHFFFAOYSA-N",404285,NA,"PDBC32065","720466","Present",NA,NA
+"32066","Benzyl 6-(3-(3-methyl-1,4-dihydronaphthalen-2-ylselanyl)-2-(3-(phenylselanyl)propanoyloxy)propanamido)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-(3-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-...",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NCCCCCC(=O)OCC3=CC=CC=C3)OC(=O)CC[Se]C4=CC=CC=C4","AXOXQZPICBHFQZ-UHFFFAOYSA-N",44226337,NA,"PDBC32066","750910","Present",NA,NA
+"32067","Benzyl 6-(3-(3-methyl-1,4-dihydronapthalen-2-ylselanyl)-2-(3-(3-methyl-1,4-dioxo-1,4-dihydronaphthalen-2-ylthio)propanoyloxy)propanamido)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-(3-(3-methyl-1,4-dioxo-1,4-dihydronapthalen-2-y...",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)OC(C[Se]C3=C(C(=O)C4=CC=CC=C4C3=O)C)C(=O)NCCCCCC(=O)OCC5=CC=CC=C5","UOKDORWDDUKASW-UHFFFAOYSA-N",54613301,NA,"PDBC32067","750909","Present",NA,NA
+"32068","Benzyl 6-(5-(1,3-dioxolan-2-yl)-1-pentenyl)-5-pentyl-2-cyclohexen-1-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-(5-(1,3-dioxolan-2-yl)-1-pentenyl)-5-pentyl-2-cyclohexen-1-ylcarbamate",NA,"CCCCCC1CC=CC(C1C=CCCCC2OCCO2)NC(=O)OCC3=CC=CC=C3","ZCAFOJDYVJUNHB-CXUHLZMHSA-N",5386772,NA,"PDBC32068","617613","Present",NA,NA
+"32069","Benzyl 6-(benzyloxy)-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-(benzyloxy)-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate",NA,"CC1(CN(C2N1C(=O)C2(C)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C","ZJWBFAGXQGDJBF-UHFFFAOYSA-N",373038,NA,"PDBC32069","648871","Present",NA,NA
+"32070","Benzyl 6-(benzyloxy)-2-isopropyl-6-methyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-(benzyloxy)-2-isopropyl-6-methyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate",NA,"CC(C)C1CN(C2N1C(=O)C2(C)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","DWEHYYMYUHOBEE-UHFFFAOYSA-N",373032,NA,"PDBC32070","648865","Present",NA,NA
+"32071","Benzyl 6-(benzyloxycarbonylamino)-2-(methylcarbamoylamino)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Lysine, N-[(methylamino)carbonyl]-N'-(phenylmethoxy- c...",NA,"CNC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2","KKJNBVBJIRNSET-UHFFFAOYSA-N",366395,NA,"PDBC32071","634764","Present",NA,NA
+"32072","Benzyl 6-(benzyloxycarbonylamino)-2-(prop-2-ynylcarbamoylamino)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Lysine, N-[(2-propynylamino)carbonyl]-N'-[(phenyl- met...",NA,"C#CCNC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2","ZOXQWHOONSZTHA-UHFFFAOYSA-N",366401,NA,"PDBC32072","634770","Present",NA,NA
+"32073","Benzyl 6-(benzyloxycarbonylamino)-2-[[methyl(nitroso)carbamoyl]amino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-(benzyloxycarbonylamino)-2-[[methyl(nitroso)carbamoyl]amino]hexanoate",NA,"CN(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=O","UECJVBXQPAZMKG-UHFFFAOYSA-N",366396,NA,"PDBC32073","634765","Present",NA,NA
+"32074","Benzyl 6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-[[2-(benzyloxycarbonylamino)-6-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-2-[[2-(phenylmethoxycarbonylamino)-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate",NA,"C1=CC=C(C=C1)COC(=O)C(CCCCNC(=O)CNC(=O)OCC2=CC=CC=C2)NC(=O)C(CCCCNC(=O)CNC(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","GLQLJNLDXVKNHR-UHFFFAOYSA-N",381618,NA,"PDBC32074","668435","Present",NA,NA
+"32075","Benzyl 6-[[2-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanylpropanoyl]amino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-[[2-[(2R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanylpropanoyl]amino]hexanoate",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NCCCCCC(=O)OCC3=CC=CC=C3)OC(=O)C(CO)NC(=O)OC(C)(C)C","SEGPBBMHGDTGMN-AVJYQCBHSA-N",54613436,NA,"PDBC32075","751133","Present",NA,NA
+"32076","Benzyl 6-[[2-[(2S)-3-(tert-butyldisulfanyl)-2-(2,2-dimethylpropanoylamino)propanoyl]oxy-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanylpropanoyl]amino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-[[2-[(2S)-3-(tert-butyldisulfanyl)-2-(2,2-dimethylpropanoylamino)propanoyl]oxy-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanylpropanoyl]amino]hexanoate",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NCCCCCC(=O)OCC3=CC=CC=C3)OC(=O)C(CSSC(C)(C)C)NC(=O)C(C)(C)C","MNSHXJGUBHNZAU-IDCGIGBZSA-N",54613437,NA,"PDBC32076","751134","Present",NA,NA
+"32077","Benzyl 6-benzyl-9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-benzyl-9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate",NA,"CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C","DFSIACYJONKASS-UHFFFAOYSA-N",382712,NA,"PDBC32077","670361","Present",NA,NA
+"32078","Benzyl 6-formyl-2-cyclohexen-1-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-formyl-2-cyclohexen-1-ylcarbamate",NA,"C1CC(C(C=C1)NC(=O)OCC2=CC=CC=C2)C=O","UTIDXYKFNVAIAU-UHFFFAOYSA-N",357934,NA,"PDBC32078","617602","Present",NA,NA
+"32079","Benzyl 6-methoxy-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-methoxy-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate",NA,"CC1(CN(C2N1C(=O)C2(C)OC)C(=O)OCC3=CC=CC=C3)C","OWBIWRLEEMMVHR-UHFFFAOYSA-N",373037,NA,"PDBC32079","648870","Present",NA,NA
+"32080","Benzyl 7-(methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-6-((4-methylphenyl)sulfonyl)benzo(1,2-b:4,3-b')dipyrrole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 7-(Methoxycarbonyl)-3,4,5,6-tetrahydro-4,5-dioxo-...",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C(=O)C(=O)C4=C3C(=CN4)C(=O)OCC5=CC=CC=C5)C(=O)OC","AVADCSIAVBNFKV-UHFFFAOYSA-N",386817,NA,"PDBC32080","679525","Present",NA,NA
+"32081","Benzyl 7-[1-(benzenesulfonyl)indol-2-yl]-5-methoxy-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 6-[1-(benzenesulfonyl)indol-2-yl]-3-methoxy-7-azabicyclo[2.2.2]oct-2-ene-7-carboxylate",NA,"COC1=CC2C(CC1CN2C(=O)OCC3=CC=CC=C3)C4=CC5=CC=CC=C5N4S(=O)(=O)C6=CC=CC=C6","BBTHMRUKEOAQAM-UHFFFAOYSA-N",396981,NA,"PDBC32081","704218","Present",NA,NA
+"32082","Benzyl 9-isopropyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 2-[[2-[[2-(tert-butoxycarbonylamino)acetyl]amino]-3-methyl-butanoyl]amino]acetate",NA,"CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C","QVZRDYASQCEFCA-UHFFFAOYSA-N",381427,NA,"PDBC32082","668015","Present",NA,NA
+"32083","Benzyl N,N-dimethyl-N'-(phenylcarbamothioyl)carbamimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N,N-dimethyl-N'-(phenylcarbamothioyl)carbamimidothioate",NA,"CN(C)C(=NC(=S)NC1=CC=CC=C1)SCC2=CC=CC=C2","MAABATQUMLGPPA-ZPHPHTNESA-N",6375381,NA,"PDBC32083","622575","Present",NA,NA
+"32084","Benzyl N,N-dimethyl-N'-(phenylcarbamoyl)carbamimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N,N-dimethyl-N'-(phenylcarbamoyl)carbamimidothioate",NA,"CN(C)C(=NC(=O)NC1=CC=CC=C1)SCC2=CC=CC=C2","UMKMXJSLXGRACM-ZPHPHTNESA-N",6376075,NA,"PDBC32084","622576","Present",NA,NA
+"32085","Benzyl N-(1,3-dioxo-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-(1,3-dioxo-2-phenyl-3a,4,7,7a-tetrahydroisoindol-4-yl)carbamate",NA,"C1C=CC(C2C1C(=O)N(C2=O)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","FJNBWKYPMHKHAW-UHFFFAOYSA-N",357933,NA,"PDBC32085","617601","Present",NA,NA
+"32086","Benzyl N-(2,4,5-trichlorophenyl)carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-(2,4,5-trichlorophenyl)carbamodithioate",NA,"C1=CC=C(C=C1)CSC(=S)NC2=CC(=C(C=C2Cl)Cl)Cl","RQQYSBGUTQWHEE-UHFFFAOYSA-N",4985501,NA,"PDBC32086","290977","Present",NA,NA
+"32087","Benzyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(phenylmethoxycarbonyl)amino]butyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-(3-aminopropyl)-N-[4-[3-aminopropyl(benzyloxycarbonyl)amino]butyl]carbamate",NA,"C1=CC=C(C=C1)COC(=O)N(CCCCN(CCCN)C(=O)OCC2=CC=CC=C2)CCCN","UPZFNXVELQDDDA-UHFFFAOYSA-N",389634,NA,"PDBC32087","685978","Present",NA,NA
+"32088","Benzyl N-(4-acetamidobutyl)-N-(3-acetamidopropyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-(4-acetamidobutyl)-N-(3-acetamidopropyl)carbamate",NA,"CC(=O)NCCCCN(CCCNC(=O)C)C(=O)OCC1=CC=CC=C1","APNKRDQJXIDFOC-UHFFFAOYSA-N",389611,NA,"PDBC32088","685958","Present",NA,NA
+"32089","Benzyl N-(4-chloro-3-oxo-1-phenylbutan-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [.alpha.-(chloroacetyl)phenethyl]-, benzy...///l-carbobenzyloxyphenylalanyl chloromethyl ketone",NA,"C1=CC=C(C=C1)CC(C(=O)CCl)NC(=O)OCC2=CC=CC=C2","OYHLRJGDELITAF-UHFFFAOYSA-N",291704,NA,"PDBC32089","157082///251810","Present",NA,NA
+"32090","Benzyl N-(diphenoxyphosphorylmethyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-(diphenoxyphosphorylmethyl)carbamate",NA,"C1=CC=C(C=C1)COC(=O)NCP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3","OKNAZJDBEUAXJP-UHFFFAOYSA-N",382242,NA,"PDBC32090","669696","Present",NA,NA
+"32091","Benzyl N-(trimethylsilylmethyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-(trimethylsilylmethyl)carbamate",NA,"C[Si](C)(C)CNC(=O)OCC1=CC=CC=C1","MWVUREPCKMPVOF-UHFFFAOYSA-N",353436,NA,"PDBC32091","601811","Present",NA,NA
+"32092","Benzyl N-[(1,4-dimethyldibenzo-p-dioxin-2-yl)methyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[(1,4-dimethyldibenzo-p-dioxin-2-yl)methyl]carbamate",NA,"CC1=CC(=C(C2=C1OC3=CC=CC=C3O2)C)CNC(=O)OCC4=CC=CC=C4","VZWOVCYFEAIRLY-UHFFFAOYSA-N",396591,NA,"PDBC32092","703099","Present",NA,NA
+"32093","Benzyl N-[(1E)-buta-1,3-dienyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617597",NA,"C=CC=CNC(=O)OCC1=CC=CC=C1","LSQDRSXFUSBRBP-YCRREMRBSA-N",5384222,NA,"PDBC32093","617597","Present",NA,NA
+"32094","Benzyl N-[(1E,3E)-4-phenylsulfanylbuta-1,3-dienyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[(1E,3E)-4-phenylsulfanylbuta-1,3-dienyl]carbamate",NA,"C1=CC=C(C=C1)COC(=O)NC=CC=CSC2=CC=CC=C2","YXBVZGCWJHVOEN-FNCQTZNRSA-N",5386770,NA,"PDBC32094","617611","Present",NA,NA
+"32095","Benzyl N-[(1R)-2-[methyl-(2-pyrrolidin-1-ylcyclohexyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[(1R)-2-[methyl-(2-pyrrolidin-1-ylcyclohexyl)amino]-2-oxo-1-phenylethyl]carbamate;hydrochloride",NA,"CN(C1CCCCC1N2CCCC2)C(=O)C(C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4.Cl","GXGMJPLLEGIVFP-CIEVTQHJSA-N",54611454,NA,"PDBC32095","707820","Present",NA,NA
+"32096","Benzyl N-[(1R,6R)-6-phenylcyclohex-2-en-1-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[(1R,6R)-6-phenylcyclohex-2-en-1-yl]carbamate",NA,"C1CC(C(C=C1)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3","XVOVRZQSHRTYKY-RTBURBONSA-N",357808,NA,"PDBC32096","617336","Present",NA,NA
+"32097","Benzyl N-[(2R,3S)-1,1,1-trifluoro-3-hydroxy-2-(4-methylphenyl)sulfanylhex-5-en-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[(2R,3S)-1,1,1-trifluoro-3-hydroxy-2-(4-methylphenyl)sulfanylhex-5-en-2-yl]carbamate",NA,"CC1=CC=C(C=C1)SC(C(CC=C)O)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","XRCRVYIEBLZMFR-AZUAARDMSA-N",400574,NA,"PDBC32097","712697","Present",NA,NA
+"32098","Benzyl N-[(2S)-1-[[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[(2S)-1-[[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamate",NA,"CC(C(C(=O)NC(C1COC(O1)(C)C)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC(C)(C)C","QPALEXAGITVJGH-DYAGCFSKSA-N",375651,NA,"PDBC32098","655471","Present",NA,NA
+"32099","Benzyl N-[(3S)-7,9-diiodo-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[(3S)-7,9-diiodo-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]carbamate",NA,"C1C(C(=O)OC12C=C(C(=O)C(=C2)I)I)NC(=O)OCC3=CC=CC=C3","FKGWYTIXJDFNSX-ZDUSSCGKSA-N",371588,NA,"PDBC32099","645980","Present",NA,NA
+"32100","Benzyl N-[(5S)-6-[(E)-5-(1,3-dioxolan-2-yl)-3-oxopent-1-enyl]-5-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[(5S)-6-[(E)-5-(1,3-dioxolan-2-yl)-3-oxopent-1-enyl]-5-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-yl]carbamate",NA,"COCOCCC1CC=CC(C1C=CC(=O)CCC2OCCO2)NC(=O)OCC3=CC=CC=C3","GQVNYDKGIZIGQZ-HAVUTTILSA-N",5386713,NA,"PDBC32100","617309","Present",NA,NA
+"32101","Benzyl N-[1-(benzyloxycarbonylamino)-3-methylsulfanyl-propyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-(benzyloxycarbonylamino)-3-methylsulfanyl-propyl]carbamate",NA,"CSCCC(NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","HETYQHRQALZZLZ-UHFFFAOYSA-N",382187,NA,"PDBC32101","669646","Present",NA,NA
+"32102","Benzyl N-[1-[2-[6-[[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-[2-[6-[[2-[2,4-dioxo-5-(phenylmethoxycarbonylcarbamoyl)pyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carba",NA,"C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCN(CCO)C(=O)NCCCCCCNC(=O)N(CCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC4=CC=CC=C4)CCO","XFGRYJLDEWXRCP-UHFFFAOYSA-N",361684,NA,"PDBC32102","624903","Present",NA,NA
+"32103","Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate",NA,"CC(C)CC(C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=C(C=C2)OC)C(=O)NCC(=O)N)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3","APUCYJWTGNWWTG-CAQJENOZSA-N",380325,NA,"PDBC32103","665809","Present",NA,NA
+"32104","Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]ethylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]ethylamino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarb",NA,"CC(C)CC(C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=C(C=C2)OC)C(=O)NCCNC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)NC(=O)C(C)NC(=O)OCC4=CC=CC=C4","WSMYKZLSSPMPME-CSNKRPRCSA-N",380323,NA,"PDBC32104","665807","Present",NA,NA
+"32105","Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-methylcarbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]ca",NA,"CC(C)CC(C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=C(C=C2)OC)C(=O)NC(C)C(=O)N)NC(=O)C(C)NC(=O)OCC3=CC=CC=C3","KQDRVWGEFGCBTG-PRLJYKPRSA-N",5468180,NA,"PDBC32105","665808","Present",NA,NA
+"32106","Benzyl N-[1-dimethoxyphosphoryl-2-(1H-indol-3-yl)ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[1-dimethoxyphosphoryl-2-(1H-indol-3-yl)ethyl]carbamate",NA,"COP(=O)(C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3)OC","JNPODQMCWPFDKV-UHFFFAOYSA-N",382175,NA,"PDBC32106","669634","Present",NA,NA
+"32107","Benzyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate",NA,"C1CN(CCN1)CCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC3=CC=CC=C3","HZOYNLBZZDLYCY-UHFFFAOYSA-N",361687,NA,"PDBC32107","624906","Present",NA,NA
+"32108","Benzyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]carbamate",NA,"C1C(C2=CC=CC=C2N1)CCNC(=O)OCC3=CC=CC=C3","XMMGZTFCUWAARC-UHFFFAOYSA-N",394107,NA,"PDBC32108","697244","Present",NA,NA
+"32109","Benzyl N-[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate",NA,"C1=CC=C(C=C1)COC(=O)NC2C(C(C(OC2N3C=C(C(=O)NC3=O)F)CO)O)O","NACMHNJXBLLZCA-UHFFFAOYSA-N",363724,NA,"PDBC32109","628902","Present",NA,NA
+"32110","Benzyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate",NA,"C1=CC=C(C=C1)COC(=O)NCCC2=C3C(=O)C=C(C(=O)C3=NN2)NC4=CC=CC=C4","MMVLRLOYVGQICJ-UHFFFAOYSA-N",390667,NA,"PDBC32110","688296","Present",NA,NA
+"32111","Benzyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate",NA,"COC1=CC(=O)C2=C(NN=C2C1=O)CCNC(=O)OCC3=CC=CC=C3","IMIXXYDASULQSE-UHFFFAOYSA-N",384098,NA,"PDBC32111","673321","Present",NA,NA
+"32112","Benzyl N-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]carbamate",NA,"C1C(C2=CC=CC=C2N1S(=O)(=O)C(F)(F)F)CCNC(=O)OCC3=CC=CC=C3","NARQDPVFRIMABC-UHFFFAOYSA-N",394108,NA,"PDBC32112","697245","Present",NA,NA
+"32113","Benzyl N-[2-[7-chloro-5-(4-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[2-[7-chloro-5-(4-chlorophenyl)-2-oxo-3H-1,4-benzodiazepin-1-yl]ethyl]carbamate",NA,"C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=C(C=C3)Cl)CCNC(=O)OCC4=CC=CC=C4","QOZPGTGAOMQWBM-UHFFFAOYSA-N",398656,NA,"PDBC32113","708814","Present",NA,NA
+"32114","Benzyl N-[2-[[(3S)-3-benzyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[2-[[(3S)-3-benzyl-1,4-dioxo-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazin-2-yl]sulfonyl]ethyl]carbamate",NA,"C1CC2C(=O)N(C(C(=O)N2C1)CC3=CC=CC=C3)S(=O)(=O)CCNC(=O)OCC4=CC=CC=C4","CJZCPYPJNJJGEU-LBAQZLPGSA-N",3004327,NA,"PDBC32114","645597","Present",NA,NA
+"32115","Benzyl N-[2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate",NA,"CC(C)(C)[Si](C)(C)OC(CC=C)CNC(=O)OCC1=CC=CC=C1","ZWVQKRKPIXXMBM-UHFFFAOYSA-N",401740,NA,"PDBC32115","715470","Present",NA,NA
+"32116","Benzyl N-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]carbamate",NA,"C1COC(=O)N1C(=O)CNC(=O)OCC2=CC=CC=C2","ARGJZBQAUVUUDX-UHFFFAOYSA-N",357716,NA,"PDBC32116","617233","Present",NA,NA
+"32117","Benzyl N-[3-(benzylamino)propyl]-N-[4-[3-(benzylamino)propyl-phenylmethoxycarbonylamino]butyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [1,4-butanediylbis[N-[3-(phenylmethyl)~am...",NA,"C1=CC=C(C=C1)CNCCCN(CCCCN(CCCNCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","XJHNORLJONUTKI-UHFFFAOYSA-N",391189,NA,"PDBC32117","690023","Present",NA,NA
+"32118","Benzyl N-[4-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]butyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[4-[(7-oxocyclohepta-1,3,5-trien-1-yl)amino]butyl]carbamate",NA,"C1=CC=C(C=C1)COC(=O)NCCCCNC2=CC=CC=CC2=O","QKXRLAWZZVKXDG-UHFFFAOYSA-N",358320,NA,"PDBC32118","618284","Present",NA,NA
+"32119","Benzyl N-[4-[[2-[4-(phenylmethoxycarbonylamino)butylamino]cyclohepta-2,4,6-trien-1-ylidene]amino]butyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[4-[[2-[4-(phenylmethoxycarbonylamino)butylamino]cyclohepta-2,4,6-trien-1-ylidene]amino]butyl]carbamate",NA,"C1=CC=C(C=C1)COC(=O)NCCCCNC2=CC=CC=CC2=NCCCCNC(=O)OCC3=CC=CC=C3","VAMPVPHSPBARGV-UHFFFAOYSA-N",358322,NA,"PDBC32119","618286","Present",NA,NA
+"32120","Benzyl N-[4-[phenylmethoxycarbonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [1,4-butanediylbis[N-[3-[(trifluoroacetyl...",NA,"C1=CC=C(C=C1)COC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OCC2=CC=CC=C2)CCCNC(=O)C(F)(F)F","FMRNDEFTGOCQIQ-UHFFFAOYSA-N",389633,NA,"PDBC32120","685977","Present",NA,NA
+"32121","Benzyl N-[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopentan-2-yl]carbamate;carbonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[5-(diaminomethylideneamino)-1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopentan-2-yl]carbamate;carbonic acid",NA,"CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C(CCCN=C(N)N)NC(=O)OCC3=CC=CC=C3.C(=O)(O)O","FTTOWHURYNPFNN-UHFFFAOYSA-N",386992,NA,"PDBC32121","680303","Present",NA,NA
+"32122","Benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-6-oxohexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethy",NA,"CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NCCNC2=C3C(=C(C=C2)NCCNC(=O)C(CCCCNC(=O)OCC4=CC=CC=C4)NC(=O)OC(C)(C)C)C(=O)C5=CC=CC=C5C3=O","HZOIYWISQLHOBB-UHFFFAOYSA-N",438923,NA,"PDBC32122","684439","Present",NA,NA
+"32123","Benzyl N-amino-N'-phenylcarbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686493",NA,"C1=CC=C(C=C1)CSC(=NC2=CC=CC=C2)NN.Cl","FCGHWBXGZIGWRG-UHFFFAOYSA-N",389863,NA,"PDBC32123","686493","Present",NA,NA
+"32124","Benzyl [4-[2-(benzyloxycarbonylamino)-3-hydroxy-propyl]-2-[4-[2-(benzyloxycarbonylamino)-3-hydroxy-propyl]phenoxy]phenyl] carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl [4-[3-hydroxy-2-(phenylmethoxycarbonylamino)propyl]-2-[4-[3-hydroxy-2-(phenylmethoxycarbonylamino)propyl]phenoxy]phenyl] carbonate",NA,"C1=CC=C(C=C1)COC(=O)NC(CC2=CC=C(C=C2)OC3=C(C=CC(=C3)CC(CO)NC(=O)OCC4=CC=CC=C4)OC(=O)OCC5=CC=CC=C5)CO","UWBZUDIZDPQQDR-UHFFFAOYSA-N",394214,NA,"PDBC32124","697496","Present",NA,NA
+"32125","Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3,4-dihydroxycyclopentyl)ethyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3,4-dihydroxycyclopentyl)ethyl)carbamate",NA,"CCC1(CC(C(C1O)OCC2=CC=CC=C2)CCN(CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)O","SVQGFDBDSKMWAI-UHFFFAOYSA-N",395126,NA,"PDBC32125","699417","Present",NA,NA
+"32126","Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3-cyclopenten-1-yl)ethyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl benzyl(2-(2-(benzyloxy)-4-ethyl-3-cyclopenten-1-yl)ethyl)carbamate",NA,"CCC1=CC(C(C1)CCN(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4","TXBSMUMKRYFCFW-UHFFFAOYSA-N",395125,NA,"PDBC32126","699416","Present",NA,NA
+"32127","Benzyl caffeate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl caffeate",NA,"C1=CC=C(C=C1)COC(=O)C=CC2=CC(=C(C=C2)O)O","WWVKQTNONPWVEL-VQHVLOKHSA-N",5919576,NA,"PDBC32127","666590","Present",NA,NA
+"32128","Benzyl dimethyldithiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TC-167793",NA,"CN(C)C(=S)SCC1=CC=CC=C1","HLZBIKHKXIJIHX-UHFFFAOYSA-N",81664,NA,"PDBC32128","24913","Present",NA,NA
+"32129","Benzyl isothiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl Isothiocyanate",NA,"C1=CC=C(C=C1)CN=C=S","MDKCFLQDBWCQCV-UHFFFAOYSA-N",2346,NA,"PDBC32129","118976","Present",NA,NA
+"32130","Benzyl n,n-bis(2-chloroethyl)-n'-(3-hydroxypropyl)phosphorodiamidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphordiamidic acid, N,N-bis(2-chloroethyl)-N'-(3-hydr...",NA,"C1=CC=C(C=C1)COP(=O)(NCCCO)N(CCCl)CCCl","NQZNJXCDRIFPDE-UHFFFAOYSA-N",251762,NA,"PDBC32130","72511","Present",NA,NA
+"32131","Benzyl pyrrole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-1-carboxylic acid benzyl ester",NA,"C1=CC=C(C=C1)COC(=O)N2C=CC=C2","PCEHCHSVPXQJFP-UHFFFAOYSA-N",359024,NA,"PDBC32131","619381","Present",NA,NA
+"32132","Benzyl tert-butyl ethane-1,2-diyldicarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2030AC",NA,"CC(C)(C)OC(=O)NCCNC(=O)OCC1=CC=CC=C1","KSRSLPBOKBJBBE-UHFFFAOYSA-N",381437,NA,"PDBC32132","668025","Present",NA,NA
+"32133","Benzyl trisulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzyl trisulfide",NA,"C1=CC=C(C=C1)CSSSCC2=CC=CC=C2","UXDMWYANCHMSJX-UHFFFAOYSA-N",122842,NA,"PDBC32133","709944","Present",NA,NA
+"32134","Benzyl {4-[(E)-phenyldiazenyl]phenyl}carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl {4-[(E)-phenyldiazenyl]phenyl}carbamodithioate",NA,"C1=CC=C(C=C1)CSC(=S)NC2=CC=C(C=C2)N=NC3=CC=CC=C3","LFWUBVCDKFYXJS-UHFFFAOYSA-N",3294281,NA,"PDBC32134","270346","Present",NA,NA
+"32135","Benzyl(1-(1-naphthyl)ethyl)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl(1-(1-naphthyl)ethyl)azane oxide",NA,"CC(C1=CC=CC2=CC=CC=C21)[N+](=CC3=CC=CC=C3)[O-]","XDUGYHKSUWLKMI-ZHZULCJRSA-N",5466982,NA,"PDBC32135","646228","Present",NA,NA
+"32136","Benzyl(1-phenylethyl)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl(1-phenylethyl)azane oxide",NA,"CC(C1=CC=CC=C1)[N+](=CC2=CC=CC=C2)[O-]","VCCUQQXPEXRXEK-VBKFSLOCSA-N",5466983,NA,"PDBC32136","646229","Present",NA,NA
+"32137","Benzyl-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1h-pyrazolo[3,4-d]pyrimidine, 4-(benzylamino)-1-methyl-",NA,"CN1C2=NC=NC(=C2C=N1)NCC3=CC=CC=C3","IGHOYJOUGQNIAB-UHFFFAOYSA-N",219778,NA,"PDBC32137","1451","Present",NA,NA
+"32138","Benzyl-(1-methyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl-(1-methyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium",NA,"CN1C(=NN=N1)[N-]CC2=CC=CC=C2.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]","QLTNKLIMVDTGOO-UHFFFAOYSA-O",6333602,NA,"PDBC32138","274553","Present",NA,NA
+"32139","Benzyl-(2-methylphenyl)-diphenylphosphanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC116716",NA,"CC1=CC=CC=C1[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","LSKNDIHNOSMKRA-UHFFFAOYSA-M",20375529,NA,"PDBC32139","116716","Present",NA,NA
+"32140","Benzyl-(2-phenylphenyl)phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl-(2-phenylphenyl)phosphinic acid",NA,"C1=CC=C(C=C1)CP(=O)(C2=CC=CC=C2C3=CC=CC=C3)O","MBXXAWQVAZOTJO-UHFFFAOYSA-N",380767,NA,"PDBC32140","666476","Present",NA,NA
+"32141","Benzyl-(4,5-bis-benzyloxy-6-benzyloxymethyl-2-oxo-2-phenyl-2lambda*5*-[1,2]oxaphosphinan-3-yl)-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl-(4,5-bis-benzyloxy-6-benzyloxymethyl-2-oxo-2-phen...",NA,"C1=CC=C(C=C1)CNC2C(C(C(OP2(=O)C3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6","QCSCGVWMBKQFFE-GJULFRLMSA-N",60148167,NA,"PDBC32141","753860","Present",NA,NA
+"32142","Benzyl-(4-methylphenyl)-diphenylphosphanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC116717",NA,"CC1=CC=C(C=C1)[P+](CC2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","VUMXDKJVVWRPBW-UHFFFAOYSA-M",24190924,NA,"PDBC32142","116717","Present",NA,NA
+"32143","Benzyl-4-(benzyloxy)-5,6-dimethylpicolinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzyl-4-(benzyloxy)-5,6-dimethylpicolinate",NA,"CC1=C(N=C(C=C1OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C","LHZQVAJJDVISKK-UHFFFAOYSA-N",325113,NA,"PDBC32143","292928","Present",NA,NA
+"32144","Benzyl-ethyl-methyl-phenylphosphanium;2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl-ethyl-methyl-phenylphosphanium;2,3-dibenzoyloxy-4-hydroxy-4-oxobutanoate",NA,"CC[P+](C)(CC1=CC=CC=C1)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)OC(C(C(=O)[O-])OC(=O)C2=CC=CC=C2)C(=O)O","YRPRAPRPKCPFFP-UHFFFAOYSA-M",357560,NA,"PDBC32144","617045","Present",NA,NA
+"32145","Benzyl-ethyl-methyl-phenylphosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl-ethyl-methyl-phenylphosphanium;bromide",NA,"CC[P+](C)(CC1=CC=CC=C1)C2=CC=CC=C2.[Br-]","MGNRWJMLWCXXIM-UHFFFAOYSA-M",357559,NA,"PDBC32145","617044","Present",NA,NA
+"32146","Benzylamine,N-bis(2-chloroethyl)-5-(2,4-dinitroanilino)-2-methoxy-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzylamine, N,N-bis(2-chloroethyl)-5-(2,4-dinitroanilin...",NA,"COC1=C(C=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CN(CCCl)CCCl.Cl","GXZXEIGPYPMLMF-UHFFFAOYSA-N",21144205,NA,"PDBC32146","46240","Present",NA,NA
+"32147","Benzylcarbamic acid;phenylmethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzylcarbamic acid compound with benzylamine (1:1)",NA,"C1=CC=C(C=C1)CN.C1=CC=C(C=C1)CNC(=O)O","CGABNMAUJREYGO-UHFFFAOYSA-N",230053,NA,"PDBC32147","24515","Present",NA,NA
+"32148","Benzylcyclooctane; iridium; trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzylcyclooctane; iridium; trimethylphosphane",NA,NA,NA,NA,NA,"PDBC32148","625570","Present",NA,NA
+"32149","Benzyldimethyl(tridecyl)ammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BENZALKONIUM CHLORIDE",NA,"CCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]","XIWFQDBQMCDYJT-UHFFFAOYSA-M",3014024,NA,"PDBC32149","758480","Present",NA,NA
+"32150","Benzylhexamethylenetetraammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzylhexamethylenetetraammonium chloride",NA,"C1N2CN3CN1C[N+](C2)(C3)CC4=CC=CC=C4.[Cl-]","NMVNVMCQQRFETJ-UHFFFAOYSA-M",12645659,NA,"PDBC32150","10408","Present",NA,NA
+"32151","Benzylhydrochlorothiazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Behyd",NA,"C1=CC=C(C=C1)CC2NC3=CC(=C(C=C3S(=O)(=O)N2)S(=O)(=O)N)Cl","BWSSMIJUDVUASQ-UHFFFAOYSA-N",2348,NA,"PDBC32151","263220","Present",NA,NA
+"32152","Benzylideneacetone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzalacetone",NA,"CC(=O)C=CC1=CC=CC=C1","BWHOZHOGCMHOBV-BQYQJAHWSA-N",637759,NA,"PDBC32152","5605","Present",NA,NA
+"32153","Benzyloxyisoquinoline, 6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK980961A",NA,"C1=CC=C(C=C1)COC2=C(C=C3C=CN=CC3=C2)C4=CC(=CC=C4)S(=O)(=O)N","WFQYBHCSVMMJEF-UHFFFAOYSA-N",42618163,NA,"PDBC32153","756194","Present",NA,NA
+"32154","Benzyloxyisoquinoline, 7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK953913A",NA,"C1=CC=C(C=C1)COC2=C(C=C3C=CN=CC3=C2)C4=CC=C(C=C4)S(=O)(=O)N","KKMQKOWAGAPQDL-UHFFFAOYSA-N",42618164,NA,"PDBC32154","756191","Present",NA,NA
+"32155","Benzyloxysanguinarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyloxysanguinarine",NA,"CN1C2C(C=CC3=CC4=C(C=C23)OCO4)C5=C(C1OCC6=CC=CC=C6)C7=C(C=C5)OCO7","XEXURBFGMDEJQC-UHFFFAOYSA-N",371259,NA,"PDBC32155","645318","Present",NA,NA
+"32156","Benzylpenillic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzylpenillic acid",NA,"CC1(C(N2C(S1)C(N=C2CC3=CC=CC=C3)C(=O)O)C(=O)O)C","PSPRNQOVLYLHSA-UHFFFAOYSA-N",253302,NA,"PDBC32156","76064","Present",NA,NA
+"32157","Bepridil hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bepridil hydrochloride (usan)",NA,"CC(C)COCC(CN(CC1=CC=CC=C1)C2=CC=CC=C2)N3CCCC3.Cl","JXBBWYGMTNAYNM-UHFFFAOYSA-N",50088,NA,"PDBC32157","758390","Present",NA,NA
+"32158","Bepridil hydrochloride;B5016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bepridil hydrochloride;B5016",NA,NA,NA,NA,NA,"PDBC32158","785496","Present",NA,NA
+"32159","Berbamine, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"berbamine",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6CN(CC7=CC(=C(C(=C67)O3)OC)OC)C)O)OC","ZJMYHEVTMWXXMA-UHFFFAOYSA-N",437172,NA,"PDBC32159","409664","Present",NA,NA
+"32160","Berberal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Berberal",NA,"COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[O-]S(=O)(=O)[O-]","JISRTQBQFQMSLG-UHFFFAOYSA-L",5351462,NA,"PDBC32160","5355","Present",NA,NA
+"32161","Berberine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Berberine chloride///NSC757795",NA,"COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[Cl-]","VKJGBAJNNALVAV-UHFFFAOYSA-M",12456,NA,"PDBC32161","163088///757795","Present",NA,NA
+"32162","Berberine iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Berberine iodide",NA,"COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC.[I-]","COKBTDHQMKTDCJ-UHFFFAOYSA-M",72350,NA,"PDBC32162","150446","Present",NA,NA
+"32163","Berberrubine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Berberrubine, hydrochloride",NA,"COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)O.[Cl-]","GYFSYEVKFOOLFZ-UHFFFAOYSA-N",72703,NA,"PDBC32163","96347","Present",NA,NA
+"32164","Bergamottin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bergamottin",NA,"CC(=CCCC(=CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3)C)C","DBMJZOMNXBSRED-OQLLNIDSSA-N",5471349,NA,"PDBC32164","710599","Present",NA,NA
+"32165","Bergapten",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"majudin",NA,"COC1=C2C=CC(=O)OC2=CC3=C1C=CO3","BGEBZHIAGXMEMV-UHFFFAOYSA-N",2355,NA,"PDBC32165","95437","Present",NA,NA
+"32166","Bersaldegenin 1,5-orthoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BERSALDEGENIN 1,3,5-ORTHOACETATE",NA,"CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC56C3(C7CC(C5)OC(O7)(O6)C)C=O","QMZMTFLDQTWANC-UHFFFAOYSA-N",282021,NA,"PDBC32166","135077","Present",NA,NA
+"32167","Bersenogenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BERSENOGENIN",NA,"CC12CCC3C(C1(CC(C2C4=COC(=O)C=C4)O)O)CCC5(C3(CCC=C5)C=O)O","GJMVUWVCQBSDQU-UHFFFAOYSA-N",317839,NA,"PDBC32167","251692","Present",NA,NA
+"32168","Bestatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bestatin",NA,"CC(C)CC(C(=O)O)NC(=O)C(C(CC1=CC=CC=C1)N)O","VGGGPCQERPFHOB-UHFFFAOYSA-N",3238,NA,"PDBC32168","265489","Present",NA,NA
+"32169","Bet-IN-4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ODM-207",NA,"CC1=CC2=CC(=C(C=C2N(C1=O)CC3=CC=CC=N3)OC)C4=C(ON=C4C)C","YVGWSVHZXWFLIT-UHFFFAOYSA-N",118224658,NA,"PDBC32169","818620","Present",NA,NA
+"32170","Bet-bay 002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bet-BAY-002",NA,"CC1=NN=C2N1C3=CC=CC=C3C(=CC2CC4=NN=C(O4)C)C5=CC=C(C=C5)Cl","AGYIAWHWIUZNSD-INIZCTEOSA-N",73425805,NA,"PDBC32170","785345","Present",NA,NA
+"32171","Betuletol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Betuletol",NA,"COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)O","MSLBFGWANLXSOK-UHFFFAOYSA-N",5459196,NA,"PDBC32171","641548","Present",NA,NA
+"32172","Betulinic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl betulate",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C(=O)OC","XNZIMRUZBOZIBC-UHFFFAOYSA-N",423298,NA,"PDBC32172","152532","Present",NA,NA
+"32173","Betulitrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Betulitrin",NA,"COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC4C(C(C(C(O4)CO)O)O)O","BNHYQVLYKVAVLP-UHFFFAOYSA-N",5387563,NA,"PDBC32173","624663","Present",NA,NA
+"32174","Beyeranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Beyeranone",NA,"CC1(CCCC2(C1CCC34C2CCC(C3)(C(=O)C4)C)C)C","PVGAAHIWPVFYJG-XZOPPUQASA-N",371706,NA,"PDBC32174","646155","Present",NA,NA
+"32175","Beyerol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Beyerol",NA,"CC12CCC(C(C1CCC34C2CCC(C3)(C=C4)CO)(C)CO)O","HMKFWGVTZPRBQX-QMNUTNMBSA-N",5352010,NA,"PDBC32175","83440","Present",NA,NA
+"32176","Biantrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"biantrazole",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC4=C3C2=NN4CCNCCO)NCCNCCO.Cl","GDNYMYIKZYXFET-UHFFFAOYSA-N",54607781,NA,"PDBC32176","357885","Present",NA,NA
+"32177","Bicyclo[10.2.0]tetradec-1(12)-en-13-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[10.2.0]tetradec-1(12)-en-13-one (2,4-bis(hydroxy(oxido)amino)phenyl)hydrazone",NA,"C1CCCCCC2=C(CCCC1)CC2=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","SSLOTPWGPBXIFX-QOCHGBHMSA-N",5908305,NA,"PDBC32177","683843","Present",NA,NA
+"32178","Bicyclo[2.2.1]hept-2-ene, 2-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[2.2.1]hept-2-ene, 2-(4-methoxyphenyl)-",NA,"COC1=CC=C(C=C1)C2=CC3CCC2C3","QSPDGDMAZQXOMM-UHFFFAOYSA-N",364259,NA,"PDBC32178","630258","Present",NA,NA
+"32179","Bicyclo[2.2.1]hept-2-yl 2-thienylmethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[2.2.1]hept-2-yl 2-thienylmethylcarbamate",NA,"C1CC2CC1CC2OC(=O)NCC3=CC=CS3","YSNYCQPSXGEJGK-UHFFFAOYSA-N",274501,NA,"PDBC32179","120571","Present",NA,NA
+"32180","Bicyclo[2.2.1]hept-5-en-2-yl(phenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[2.2.1]hept-5-en-2-yl(phenyl)methanol",NA,"C1C2CC(C1C=C2)C(C3=CC=CC=C3)O","DJEJUNPYGYWALI-UHFFFAOYSA-N",362198,NA,"PDBC32180","625796","Present",NA,NA
+"32181","Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"endic acid",NA,"C1C2C=CC1C(C2C(=O)O)C(=O)O","NIDNOXCRFUCAKQ-UHFFFAOYSA-N",97965,NA,"PDBC32181","123024","Present",NA,NA
+"32182","Bicyclo[3.2.1]oct-3-en-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[3.2.1]oct-3-en-2-one",NA,"C1CC2CC1C=CC2=O","PLUPRDSFMNHWTH-UHFFFAOYSA-N",376751,NA,"PDBC32182","657805","Present",NA,NA
+"32183","Bicyclo[3.2.1]oct-3-en-2-yl diethyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[3.2.1]oct-3-en-2-yl diethyl phosphate",NA,"CCOP(=O)(OCC)OC1C=CC2CCC1C2","KKWKNCYOCDDSEV-UHFFFAOYSA-N",371768,NA,"PDBC32183","646211","Present",NA,NA
+"32184","Bicyclo[3.2.1]octan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[3.2.1]oct-2-one",NA,"C1CC2CC1CCC2=O","SXFPXZSENHPCSH-UHFFFAOYSA-N",107363,NA,"PDBC32184","657806","Present",NA,NA
+"32185","Bicyclo[3.3.1]non-2-en-9-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[3.3.1]non-2-en-9-ol",NA,"C1CC2CC=CC(C1)C2O","PGLXEGLAJQKZSQ-UHFFFAOYSA-N",361992,NA,"PDBC32185","625471","Present",NA,NA
+"32186","Bicyclo[3.3.1]non-6-en-3-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[3.3.1]non-6-en-3-ylmethanol",NA,"C1C=CC2CC1CC(C2)CO","CKHDILYRGJQNMT-UHFFFAOYSA-N",361990,NA,"PDBC32186","625469","Present",NA,NA
+"32187","Bicyclo[3.3.1]non-6-ene-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FFRDKUOKEIXXRA-UHFFFAOYSA-N",NA,"C1C=CC2CC1CC(C2)C(=O)O","FFRDKUOKEIXXRA-UHFFFAOYSA-N",361989,NA,"PDBC32187","625468","Present",NA,NA
+"32188","Bicyclo[3.3.1]nonane-1-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VGQJCBJXYSHVQD-UHFFFAOYSA-N",NA,"C1CC2CCCC(C1)(C2)C(=O)O","VGQJCBJXYSHVQD-UHFFFAOYSA-N",362197,NA,"PDBC32188","625795","Present",NA,NA
+"32189","Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(2,4,6-trihydroxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(2,4,6-trihydroxyphenyl)methanone",NA,"C1C(C2=CC=CC=C21)C(=O)C3=C(C=C(C=C3O)O)O","WWFNRAGJQWORDQ-UHFFFAOYSA-N",363746,NA,"PDBC32189","628937","Present",NA,NA
+"32190","Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(2-hydroxy-4,6-dimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicyclo[4.2.0]octa-1,3,5-trien-7-yl(2-hydroxy-4,6-dimethoxyphenyl)methanone",NA,"COC1=CC(=C(C(=C1)OC)C(=O)C2CC3=CC=CC=C23)O","SPSKNYGZVAFHMV-UHFFFAOYSA-N",363558,NA,"PDBC32190","628522","Present",NA,NA
+"32191","Bicyclomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bicozamycin",NA,"CC(CO)(C(C12C(=O)NC(C(=C)CCO1)(C(=O)N2)O)O)O","WOUDXEYYJPOSNE-UHFFFAOYSA-N",426058,NA,"PDBC32191","180516","Present",NA,NA
+"32192","Biguanide, 1-isobutyl-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"iBuB hydrochloride",NA,"CC(C)CN=C(N)N=C(N)N.Cl","BWWLZUBMTAKUKN-UHFFFAOYSA-N",13547,NA,"PDBC32192","140880","Present",NA,NA
+"32193","Bikaverin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bikaverin",NA,"CC1=CC(=CC2=C1C(=O)C3=C(O2)C(=O)C4=C(C3=O)C(=CC(=C4O)OC)O)OC","QXNACSREWQXWCV-UHFFFAOYSA-N",36433,NA,"PDBC32193","215139","Present",NA,NA
+"32194","Bilanafos",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bialaphos",NA,"CC(C(=O)NC(C)C(=O)O)NC(=O)C(CCP(=O)(C)O)N","GINJFDRNADDBIN-UHFFFAOYSA-N",116733,NA,"PDBC32194","626779","Present",NA,NA
+"32195","Bilopaque",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bilopac",NA,"CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)O)I)I.[Na+]","KTVKGXZZBQCBGD-UHFFFAOYSA-N",24190394,NA,"PDBC32195","107434","Present",NA,NA
+"32196","Bindschedler's green",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bindschedler's green",NA,"CN(C)C1=CC=C(C=C1)N=C2C=CC(=[N+](C)C)C=C2.[Cl-]","IVNALXNJOCZGMK-UHFFFAOYSA-M",73516,NA,"PDBC32196","7811","Present",NA,NA
+"32197","Bio7F3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bio7F3",NA,"C1C(SC2=CC=CC=C2N=C1C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]","XXYPDVRSHFSOFF-UHFFFAOYSA-N",317089,NA,"PDBC32197","246407","Present",NA,NA
+"32198","Bionet2_000691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bionet2_000691",NA,"C1C2=CC(=C3C=CC=NC3=C2OCN1CC4=CC=C(C=C4)Cl)Cl","NNZCKBDKGWOHKF-UHFFFAOYSA-N",326320,NA,"PDBC32198","297360","Present",NA,NA
+"32199","Bionet2_001055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bionet2_001055",NA,"CC1=CC(=NN1C2=C3C=CC(=CC3=NC=C2)Cl)C","NOWCXGQSJPMTNV-UHFFFAOYSA-N",365206,NA,"PDBC32199","632498","Present",NA,NA
+"32200","Biotin, .alpha.-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Biotin, .alpha.-methyl-",NA,"CC(CCCC1C2C(CS1)NC(=O)N2)C(=O)O","UBBSLIBPXCFHDN-UHFFFAOYSA-N",193131,NA,"PDBC32200","145151","Present",NA,NA
+"32201","Bipinnatin H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bipinnatin H",NA,"CC1=C2C(C(CC(C3=CC(CC4(C(O4)C(=C1)O2)C)OC3=O)OC(=O)C)C5(CO5)C)OC(=O)C","ZKPQWDXTJKFKDU-UJGRFZKXSA-N",396365,NA,"PDBC32201","702308","Present",NA,NA
+"32202","Bipinnatin I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bipinnatin I",NA,"CC1=C2C(C(CC(C3=CC(CC4(C(O4)C(=C1)O2)C)OC3=O)OC(=O)C)C(=C)C(=O)OC)OC(=O)C","DORQEQXBYZYXMV-PJHHFKFRSA-N",396366,NA,"PDBC32202","702309","Present",NA,NA
+"32203","Bipinnatin J",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bipinnatin J",NA,"CC1=CC2=CC(=C(O2)C(C(CCC3=CC(C1)OC3=O)C(=C)C)O)C","RCFMTOJVVOOMTO-PVUOXGCVSA-N",5470115,NA,"PDBC32203","697737","Present",NA,NA
+"32204","Bis 2,3H)-pyrimido tetrathiafulvalene, bis-(tetrabutylammonium) salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis 2,4-dioxo(1H,3H)-pyrimido tetrathiafulvalene, bis-(t...",NA,"CCCC[N+](CCCC)(CCCC)CCCC.C12=C(NC(=O)NC1=O)SC(=C3SC4=C(N=C(N=C4S3)[O-])[O-])S2","UDZFNGFWKGYZPS-ILHSMLOTSA-L",24202447,NA,"PDBC32204","658470","Present",NA,NA
+"32205","Bis nor methyl bis deoxy flavoskyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis nor methyl bis deoxy flavoskyrin",NA,"C1CC(=O)C2=C(C3=C(C=CC=C3O)C4=C2C1C5CCC(=O)C6=C(C7=C(C=CC=C7O)C(=O)C56O4)O)O","NICVSHMYWKALSU-LILSUQEXSA-N",24204451,NA,"PDBC32205","731927","Present",NA,NA
+"32206","Bis((3-pyridyl)methyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[(3-pyridyl)methyl]amine",NA,"C1=CC(=CN=C1)CNCC2=CN=CC=C2","FEBQXMFOLRVSGC-UHFFFAOYSA-N",74257,NA,"PDBC32206","86140","Present",NA,NA
+"32207","Bis((4-chlorophenyl)thio)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis((4-chlorophenyl)thio)acetic acid",NA,"C1=CC(=CC=C1SC(C(=O)O)SC2=CC=C(C=C2)Cl)Cl","USBNCBWTGNVEEO-UHFFFAOYSA-N",245251,NA,"PDBC32207","56975","Present",NA,NA
+"32208","Bis((diphenylphosphino)ethynyl)(phenyl)phosphine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis((diphenylphosphino)ethynyl)(phenyl)phosphine",NA,"C1=CC=C(C=C1)P(C#CP(C2=CC=CC=C2)C3=CC=CC=C3)C#CP(C4=CC=CC=C4)C5=CC=CC=C5","VMFVZCXWMPAYDX-UHFFFAOYSA-N",389884,NA,"PDBC32208","686512","Present",NA,NA
+"32209","Bis(1,3-benzodioxol-5-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZPLNNAGXAQXMKC-UHFFFAOYSA-N",NA,"C1OC2=C(O1)C=C(C=C2)C(C3=CC4=C(C=C3)OCO4)O","ZPLNNAGXAQXMKC-UHFFFAOYSA-N",384225,NA,"PDBC32209","673630","Present",NA,NA
+"32210","Bis(1,3-dionato)bis(ethylen-1,2-diethyl-1-phenyl-2-phenolato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(1,3-diphenylpropane-1,3-dionato)bis(ethylen-1,2-diet...",NA,"CCC(=C(CC)C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)O.CCC(=C(CC)C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)O.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]","FNAUZMNHGKEEFT-KTLGJLLMSA-L",11979335,NA,"PDBC32210","639599","Present",NA,NA
+"32211","Bis(1,6-di-O-isopropylidene-3-olato-alpha-D-gluco furanose)bis(1-phenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(1,2:5,6-di-O-isopropylidene-3-olato-.alpha.-D-gluco ...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)[O-])C.CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)[O-])C.[Ti+4]","HAYPUIGVPUQHHT-UHFFFAOYSA-N",24202333,NA,"PDBC32211","639100","Present",NA,NA
+"32212","Bis(1,7,7-trimethylnorbornan-2-yl) (E)-but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(1,7,7-trimethylnorbornan-2-yl) (E)-but-2-enedioate",NA,"CC1(C2CCC1(C(C2)OC(=O)C=CC(=O)OC3CC4CCC3(C4(C)C)C)C)C","WNUALMJGGJCCAZ-BQYQJAHWSA-N",5468961,NA,"PDBC32212","680223","Present",NA,NA
+"32213","Bis(1-adamantyl) 4-[2-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Adamanthyl 4-(2-difluoromethoxyphenyl)-2,6-dimethyl-1,...",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5OC(F)F)C(=O)OC67CC8CC(C6)CC(C8)C7","JPKRBGMUYHFBAA-UHFFFAOYSA-N",393568,NA,"PDBC32213","695637","Present",NA,NA
+"32214","Bis(1-benzhydryl-3-phenyl-2-aziridinyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(1-benzhydryl-3-phenyl-aziridin-2-yl)methanone",NA,"C1=CC=C(C=C1)C2C(N2C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5C(N5C(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","VMXIORJTDBSGRC-UHFFFAOYSA-N",373935,NA,"PDBC32214","650963","Present",NA,NA
+"32215","Bis(1-methyl-1H-imidazol-2-yl)(2-methylphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(1-methyl-1H-imidazol-2-yl)(2-methylphenyl)methanol",NA,"CC1=CC=CC=C1C(C2=NC=CN2C)(C3=NC=CN3C)O","KJSSUBWHYHHFTQ-UHFFFAOYSA-N",391169,NA,"PDBC32215","690012","Present",NA,NA
+"32216","Bis(1-phenylbutane-1,3-dionato)bis(pyridiumhydrochlor ide-2-ethanolato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(1-phenylbutane-1,3-dionato)bis(pyridiumhydrochlor id...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=NC(=C1)CC[O-].C1=CC=NC(=C1)CC[O-].Cl.[Ti+4]","ATFNMZUKTOYRCY-UHFFFAOYSA-N",368300,NA,"PDBC32216","638845","Present",NA,NA
+"32217","Bis(1-phenylbutane-1,3-dionato)bis(thiophene-2-methanolato) titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(1-phenylbutane-1,3-dionato)bis(thiophene-2-methanola...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CSC(=C1)C[O-].C1=CSC(=C1)C[O-].[Ti+4]","VZSGIXUJWGRSQL-UHFFFAOYSA-N",367795,NA,"PDBC32217","637801","Present",NA,NA
+"32218","Bis(2,2-dihydroxyethyl) hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2,2-dihydroxyethyl) hydrogen phosphate",NA,"C(C(O)O)OP(=O)(O)OCC(O)O","UNIJAFGPQAOCTO-UHFFFAOYSA-N",371887,NA,"PDBC32218","646471","Present",NA,NA
+"32219","Bis(2,4,6-trichloro-3-(dodecanoyloxy)phenyl) oxalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2,4,6-trichloro-3-(dodecanoyloxy)phenyl) oxalate",NA,"CCCCCCCCCCCC(=O)OC1=C(C(=C(C=C1Cl)Cl)OC(=O)C(=O)OC2=C(C=C(C(=C2Cl)OC(=O)CCCCCCCCCCC)Cl)Cl)Cl","RQPPARLRHSGJLY-UHFFFAOYSA-N",383325,NA,"PDBC32219","671434","Present",NA,NA
+"32220","Bis(2,4-diamino-5-methylphenyl)methane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetraaminoditolylmethane",NA,"CC1=CC(=C(C=C1N)N)CC2=C(C=C(C(=C2)C)N)N","HGVQBXSOAUVVNX-UHFFFAOYSA-N",66799,NA,"PDBC32220","7215","Present",NA,NA
+"32221","Bis(2,4-dibromo-6-(phenoxycarbonyl)phenyl) oxalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2,4-dibromo-6-(phenoxycarbonyl)phenyl) oxalate",NA,"C1=CC=C(C=C1)OC(=O)C2=C(C(=CC(=C2)Br)Br)OC(=O)C(=O)OC3=C(C=C(C=C3Br)Br)C(=O)OC4=CC=CC=C4","NGSQQXLEYROKEJ-UHFFFAOYSA-N",383326,NA,"PDBC32221","671435","Present",NA,NA
+"32222","Bis(2,4-dichlorophenyl)iodanium;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2,4-dichlorophenyl)iodanium;hydrochloride",NA,"C1=CC(=C(C=C1Cl)Cl)[I+]C2=C(C=C(C=C2)Cl)Cl.Cl","VWMVVFFLQCUGKR-UHFFFAOYSA-N",54609885,NA,"PDBC32222","75474","Present",NA,NA
+"32223","Bis(2,4-dimethoxyphenyl)diselenide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2,4-dimethoxyphenyl)diselenide",NA,"COC1=CC(=C(C=C1)[Se][Se]C2=C(C=C(C=C2)OC)OC)OC","WEEVNOXMHRQLEA-UHFFFAOYSA-N",365241,NA,"PDBC32223","632606","Present",NA,NA
+"32224","Bis(2-(((cyclohexylamino)carbonyl)amino)ethyl) carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-(((cyclohexylamino)carbonyl)amino)ethyl) carbonate",NA,"C1CCC(CC1)NC(=O)NCCOC(=O)OCCNC(=O)NC2CCCCC2","LCNYZDYSPPMNQH-UHFFFAOYSA-N",379526,NA,"PDBC32224","664188","Present",NA,NA
+"32225","Bis(2-((1-aziridinylcarbonyl)amino)ethyl) carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-((1-aziridinylcarbonyl)amino)ethyl) carbonate",NA,"C1CN1C(=O)NCCOC(=O)OCCNC(=O)N2CC2","HRTWOWOZWGUBGC-UHFFFAOYSA-N",379527,NA,"PDBC32225","664189","Present",NA,NA
+"32226","Bis(2-(1,3-diphenyl-1H-1,2,4-triazol-5-yl)phenyl) disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-(1,3-diphenyl-1H-1,2,4-triazol-5-yl)phenyl) disulfide",NA,"C1=CC=C(C=C1)C2=NN(C(=N2)C3=CC=CC=C3SSC4=CC=CC=C4C5=NC(=NN5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","PRTRXZYUCZQMAP-UHFFFAOYSA-N",379771,NA,"PDBC32226","664745","Present",NA,NA
+"32227","Bis(2-Nitrophenyl)sulfilimine, [1:1]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(2-Nitrophenyl)sulfilimine, hydrochloride, [1:1]",NA,"C1=CC=C(C(=C1)[N+](=O)[O-])S(=N)C2=CC=CC=C2[N+](=O)[O-].Cl","OHZJQUDKDOCLFK-UHFFFAOYSA-N",371948,NA,"PDBC32227","646700","Present",NA,NA
+"32228","Bis(2-benzoyl-1,3-indanedionato)cobalt(II)dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-benzoyl-1,3-indanedionato)cobalt(II)dihydrate",NA,"C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Co+2]","OLDKHPSJKLJMQF-UHFFFAOYSA-L",365310,NA,"PDBC32228","632873","Present",NA,NA
+"32229","Bis(2-benzoyl-1,3-indanedionato)iron(II)-dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-benzoyl-1,3-indanedionato)iron(II)- dihydrate",NA,"C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Fe+2]","VFMJSIXWQJEIDK-UHFFFAOYSA-L",365264,NA,"PDBC32229","632817","Present",NA,NA
+"32230","Bis(2-benzoyl-1,3-indanedionato)manganese(II)dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-benzoyl-1,3-indanedionato)manganese(II)dihydrate",NA,"C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Mn+2]","GXJOHWYUYVOKMU-UHFFFAOYSA-L",6711620,NA,"PDBC32230","632816","Present",NA,NA
+"32231","Bis(2-benzoyl-1,3-indanedionato)nickel(II)dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-benzoyl-1,3-indanedionato)nickel(II)dihydrate",NA,"C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Ni+2]","QGPYKHMFKVHZQG-UHFFFAOYSA-L",6711619,NA,"PDBC32231","632814","Present",NA,NA
+"32232","Bis(2-bromo-2-propenyl)cyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(2-bromoallyl)cyanamide",NA,"C=C(CN(CC(=C)Br)C#N)Br","DWJXPPTZAASZMF-UHFFFAOYSA-N",379665,NA,"PDBC32232","664543","Present",NA,NA
+"32233","Bis(2-bromoallyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-bromoallyl)amine",NA,"C=C(CNCC(=C)Br)Br","PHYKIFWOKYSDOE-UHFFFAOYSA-N",379667,NA,"PDBC32233","664545","Present",NA,NA
+"32234","Bis(2-carboxyphenyl)diselenide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,2'-Dicarboxy-diphenyl-diselenide",NA,"C1=CC=C(C(=C1)C(=O)O)[Se][Se]C2=CC=CC=C2C(=O)O","KQOVQKHBCWQFCJ-UHFFFAOYSA-N",23012,NA,"PDBC32234","632603","Present",NA,NA
+"32235","Bis(2-chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl) disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-chloro-5-oxido-10,11-dihydrodibenzo[b,f]thiepin-10-yl) disulfide",NA,"C1C(C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl)SSC4CC5=C(C=CC(=C5)Cl)S(=O)C6=CC=CC=C46","HDJWIAKCZPDXOF-UHFFFAOYSA-N",372834,NA,"PDBC32235","648492","Present",NA,NA
+"32236","Bis(2-chloroethyl)-N-4-methoxy-2-nitrobenzyl-N-methyl ammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-chloroethyl)-N-4-methoxy-2-nitrobenzyl-N-methyl am...",NA,"C[N+](CCCl)(CCCl)CC1=C(C=C(C=C1)OC)[N+](=O)[O-].[Cl-]","INKDJKABBMZXAU-UHFFFAOYSA-M",380946,NA,"PDBC32236","666732","Present",NA,NA
+"32237","Bis(2-chloroethyl)-N-methyl-N(3-methoxy-2-nitrobenzyl) ammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-chloroethyl)-N-methyl-N(3-methoxy-2-nitrobenzyl) a...",NA,"C[N+](CCCl)(CCCl)CC1=C(C(=CC=C1)OC)[N+](=O)[O-].[Cl-]","QPSICOOQCRTECT-UHFFFAOYSA-M",379101,NA,"PDBC32237","663314","Present",NA,NA
+"32238","Bis(2-chloroethyl)-N-methyl-N-(3-methyl-2-nitrobenzyl)ammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-chloroethyl)-N-methyl-N-(3-methyl-2-nitrobenzyl)am...",NA,"CC1=C(C(=CC=C1)C[N+](C)(CCCl)CCCl)[N+](=O)[O-].[Cl-]","OCZXJFKIICRYLZ-UHFFFAOYSA-M",377474,NA,"PDBC32238","658929","Present",NA,NA
+"32239","Bis(2-chloroethyl)-N-methyl-N-(5-methoxy-2-nitrobenzyl) ammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-chloroethyl)-N-methyl-N-(5-methoxy-2-nitrobenzyl) ...",NA,"C[N+](CCCl)(CCCl)CC1=C(C=CC(=C1)OC)[N+](=O)[O-].[Cl-]","GZUCUFHHIVTWDB-UHFFFAOYSA-M",379103,NA,"PDBC32239","663315","Present",NA,NA
+"32240","Bis(2-chloroethyl)-N-methyl-N-(5-methyl-2-nitrobenzyl) ammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-chloroethyl)-N-methyl-N-(5-methyl-2-nitrobenzyl) a...",NA,"CC1=CC(=C(C=C1)[N+](=O)[O-])C[N+](C)(CCCl)CCCl.[Cl-]","ISZVFCDIKRANOB-UHFFFAOYSA-M",377472,NA,"PDBC32240","658928","Present",NA,NA
+"32241","Bis(2-chloroethyl)-N-methyl-N[(8-nitro-1-naphthyl)-methyl]ammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-chloroethyl)-N-methyl-N[(8-nitro-1-naphthyl)-methy...",NA,"C[N+](CCCl)(CCCl)CC1=CC=CC2=C1C(=CC=C2)[N+](=O)[O-].[Cl-]","KFVWZSYPJQKGDR-UHFFFAOYSA-M",379487,NA,"PDBC32241","664150","Present",NA,NA
+"32242","Bis(2-hydroxybenzal)acetone, disodium pentahydrate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-hydroxybenzal)acetone, disodium pentahydrate salt",NA,"C1=CC=C(C(=C1)C=CC(=O)C=CC2=CC=CC=C2O)O.[Na+]","ABUIJEVGXRLMOW-NVUWAARKSA-N",54611557,NA,"PDBC32242","722216","Present",NA,NA
+"32243","Bis(2-hydroxyethyl)-oxido-(7H-purin-6-yl)azanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-hydroxyethyl)-oxido-(7H-purin-6-yl)azanium",NA,"C1=NC2=C(N1)C(=NC=N2)[N+](CCO)(CCO)[O-]","UJDFXVHYPPPZCS-UHFFFAOYSA-N",5351837,NA,"PDBC32243","57850","Present",NA,NA
+"32244","Bis(2-methoxy-4-methylphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-methoxy-4-methylphenyl)methanone",NA,"CC1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)C)OC)OC","MURHDPXRYLOCLY-UHFFFAOYSA-N",285885,NA,"PDBC32244","143532","Present",NA,NA
+"32245","Bis(2-methoxy-5-nitrophenyl)iodanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-methoxy-5-nitrophenyl)iodanium;bromide",NA,"COC1=C(C=C(C=C1)[N+](=O)[O-])[I+]C2=C(C=CC(=C2)[N+](=O)[O-])OC.[Br-]","XYCGNDHPWKSJED-UHFFFAOYSA-M",24190303,NA,"PDBC32245","106648","Present",NA,NA
+"32246","Bis(2-methoxynaphtyle)selenide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-methoxynaphtyle)selenide",NA,"COC1=CC2=C(C=C1)C=CC(=C2)[Se]C3=CC4=C(C=CC(=C4)OC)C=C3","XVNMVBRIYWICML-UHFFFAOYSA-N",365240,NA,"PDBC32246","632605","Present",NA,NA
+"32247","Bis(2-nitro-4-(trifluoromethyl)phenyl)sulfane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK213636",NA,"C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]","JZOKZEROYRPYIF-UHFFFAOYSA-N",236554,NA,"PDBC32247","39135","Present",NA,NA
+"32248","Bis(2-nitrophenyl)sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1,1'-sulfonylbis(2-nitro-",NA,"C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","IHZVFZOUXUNSPQ-UHFFFAOYSA-N",365388,NA,"PDBC32248","633001","Present",NA,NA
+"32249","Bis(2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl) sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl) sulfide",NA,"C1=CC=C(C=C1)C2=NC(=C(O2)SC3=C(N=C(O3)C4=CC=CC=C4)C(F)(F)F)C(F)(F)F","HXQKNAUXMSXXHO-UHFFFAOYSA-N",362771,NA,"PDBC32249","627052","Present",NA,NA
+"32250","Bis(3,3-dio nato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(3,4-methylenedioxyphenolato)bis(1-phenylbutane-1,3-d...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1OC2=C(O1)C=C(C=C2)[O-].C1OC2=C(O1)C=C(C=C2)[O-].[Ti+4]","DCHNZDJLJBCTPV-UHFFFAOYSA-L",24202321,NA,"PDBC32250","638734","Present",NA,NA
+"32251","Bis(3-hydroxypropionic acid)(7Z,15Z)-7,15-tetracosadiene-1,24-diyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(9Z,17Z)-24-(3-Hydroxypropanoyloxy)tetracosa-9,17-dienyl] 3-hydroxypropanoate",NA,"C(CCCCOC(=O)CCO)CCCC=CCCCCCCC=CCCCCCCOC(=O)CCO","DCXZDDNUTNOVOS-PSVOIDRLSA-N",5471233,NA,"PDBC32251","709852","Present",NA,NA
+"32252","Bis(3-phenyl-2H-chromen-2-yl) ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(3-phenyl-2H-chromen-2-yl) ether",NA,"C1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2OC4C(=CC5=CC=CC=C5O4)C6=CC=CC=C6","YAKDOYHRLNCZJM-UHFFFAOYSA-N",370623,NA,"PDBC32252","643916","Present",NA,NA
+"32253","Bis(4,5-benzotropolonato)dioxouranium(VI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4,5-benzotropolonato)dioxouranium(VI)",NA,"C1=CC=C2C=C(C(=O)C=CC2=C1)[O-].C1=CC=C2C=C(C(=O)C=CC2=C1)[O-].O=[U+2]=O","HVUVAKLTSKREOR-UHFFFAOYSA-L",366866,NA,"PDBC32253","635903","Present",NA,NA
+"32254","Bis(4-amino-3-bromophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-amino-3-bromophenyl)methanone",NA,"C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)Br)Br)N","DGQOTSSECYSWIZ-UHFFFAOYSA-N",220951,NA,"PDBC32254","4518","Present",NA,NA
+"32255","Bis(4-bromophenyl)iodanium;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-bromophenyl)iodanium;hydroiodide",NA,"C1=CC(=CC=C1Br)[I+]C2=CC=C(C=C2)Br.I","YFAMUFPIZXTBHX-UHFFFAOYSA-N",54609012,NA,"PDBC32255","8974","Present",NA,NA
+"32256","Bis(4-carboxyphenyl)diselenide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-carboxyphenyl)diselenide",NA,"C1=CC(=CC=C1C(=O)O)[Se][Se]C2=CC=C(C=C2)C(=O)O","FBPGMBHXJYLHRA-UHFFFAOYSA-N",364988,NA,"PDBC32256","631891","Present",NA,NA
+"32257","Bis(4-chloromethyl-2,5-dimethylthien-3-yl)methane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-chloromethyl-2,5-dimethylthien-3-yl)methane",NA,"CC1=C(C(=C(S1)C)CCl)CC2=C(SC(=C2CCl)C)C","TZFDFYPEDJUAJT-UHFFFAOYSA-N",2778203,NA,"PDBC32257","736975","Present",NA,NA
+"32258","Bis(4-chlorophenyl) 1-((4-methylphenyl)sulfonyl)-1,2-hydrazinedicarboximidoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-chlorophenyl) 1-((4-methylphenyl)sulfonyl)-1,2-hydrazinedicarboximidoate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C(=N)OC2=CC=C(C=C2)Cl)N=C(N)OC3=CC=C(C=C3)Cl","WFOUZANKGWDKPM-UHFFFAOYSA-N",9570053,NA,"PDBC32258","636369","Present",NA,NA
+"32259","Bis(4-chlorophenyl) carbonotrithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-chlorophenyl) carbonotrithioate",NA,"C1=CC(=CC=C1SC(=S)SC2=CC=C(C=C2)Cl)Cl","GUUHSHAWOOMFMF-UHFFFAOYSA-N",269665,NA,"PDBC32259","111118","Present",NA,NA
+"32260","Bis(4-chlorophenyl)((4,6-dimercapto-1,3,5-triazin-2-yl)oxy)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-chlorophenyl)((4,6-dimercapto-1,3,5-triazin-2-yl)oxy)acetic acid",NA,"C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)(C(=O)O)OC3=NC(=S)NC(=S)N3)Cl","MCXPIOKGQAXUJW-UHFFFAOYSA-N",3246680,NA,"PDBC32260","372618","Present",NA,NA
+"32261","Bis(4-chlorophenyl)(methyl)phenylphosphanium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-chlorophenyl)(methyl)phenylphosphanium iodide",NA,"C[P+](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.[I-]","RKXRMWRCNNNAKR-UHFFFAOYSA-M",24195814,NA,"PDBC32261","201724","Present",NA,NA
+"32262","Bis(4-ethoxyphenyl)diselenide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-ethoxyphenyl)diselenide",NA,"CCOC1=CC=C(C=C1)[Se][Se]C2=CC=C(C=C2)OCC","KVQSJRYUTOLTQJ-UHFFFAOYSA-N",364987,NA,"PDBC32262","631890","Present",NA,NA
+"32263","Bis(4-hydroxy-3-nitrophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-Dihydroxy-3,3'-dinitrobenzophenone",NA,"C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-])[N+](=O)[O-])O","AABHPMAMDHAYRG-UHFFFAOYSA-N",391007,NA,"PDBC32263","689414","Present",NA,NA
+"32264","Bis(4-methyl-2-nitrophenyl)sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4Me2NO2Ph)S",NA,"CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]","MOZORIAOSRTCOV-UHFFFAOYSA-N",365385,NA,"PDBC32264","632998","Present",NA,NA
+"32265","Bis(4-methylphenyl)-pyridin-2-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-methylphenyl)-pyridin-2-ylmethanol",NA,"CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=CC=CC=N3)O","FPIMNMKNIFZJKX-UHFFFAOYSA-N",230499,NA,"PDBC32265","25443","Present",NA,NA
+"32266","Bis(4-methylpiperazin-1-yl)methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanethione, bis(4-methyl-1-piperazinyl)-",NA,"CN1CCN(CC1)C(=S)N2CCN(CC2)C","YOQNUVVBKQRVKO-UHFFFAOYSA-N",388906,NA,"PDBC32266","684142","Present",NA,NA
+"32267","Bis(4-nitroimidazolium)-[pentachloro-4-nitroimidazole- r...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-nitroimidazolium)-[pentachloro-4-nitroimidazole- r...",NA,NA,NA,NA,NA,"PDBC32267","631482","Present",NA,NA
+"32268","Bis(4-phenylpiperazin-1-yl)methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-carbonothioylbis(4-phenylpiperazine)",NA,"C1CN(CCN1C2=CC=CC=C2)C(=S)N3CCN(CC3)C4=CC=CC=C4","TVQYLRTUDCRHAU-UHFFFAOYSA-N",388907,NA,"PDBC32268","684143","Present",NA,NA
+"32269","Bis(4-potassiumsulfonatophenyl)diselenide-dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-potassiumsulfonatophenyl)diselenide-dihydrate",NA,"C1=CC(=CC=C1S(=O)(=O)O)[Se][Se]C2=CC=C(C=C2)S(=O)(=O)O.[K+]","HKCPPCGLWOBWGO-UHFFFAOYSA-N",54608914,NA,"PDBC32269","631892","Present",NA,NA
+"32270","Bis(4-pyridylmethyl) 2,6-dimethyl-4-(6-methyl-2,3-dihydro-1,4-dithiin-5-yl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-pyridylmethyl)-4-[2-(3-methyl-5,6-dihydro-1,4-dith...",NA,"CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=NC=C2)C3=C(SCCS3)C)C(=O)OCC4=CC=NC=C4","WKCXIRURXIDOND-UHFFFAOYSA-N",164220,NA,"PDBC32270","658990","Present",NA,NA
+"32271","Bis(4-sulfosalicylideneaniline)cobalt(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-sulfosalicylideneaniline)cobalt(II)",NA,"C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)S(=O)(=O)[O-])[O-].C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)S(=O)(=O)[O-])[O-].[Co+2]","LOCOLSFTVSVYTL-UHFFFAOYSA-J",24202176,NA,"PDBC32271","631459","Present",NA,NA
+"32272","Bis(4-tert-butyl-2-methylsulfanylphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-tert-butyl-2-methylsulfanylphenyl)methanol",NA,"CC(C)(C)C1=CC(=C(C=C1)C(C2=C(C=C(C=C2)C(C)(C)C)SC)O)SC","ROXUBYKVWXVXCJ-UHFFFAOYSA-N",357628,NA,"PDBC32272","617152","Present",NA,NA
+"32273","Bis(4-tert-butylphenyl)iodanium;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-tert-butylphenyl)iodanium;hydrochloride",NA,"CC(C)(C)C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C(C)(C)C.Cl","JHPUIEDIXRYPTP-UHFFFAOYSA-N",54602012,NA,"PDBC32273","8994","Present",NA,NA
+"32274","Bis(4-tert-butylphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-(tert-butyl)phenyl)methanol",NA,"CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)O","YROADUBOXHBRDA-UHFFFAOYSA-N",357627,NA,"PDBC32274","617151","Present",NA,NA
+"32275","Bis(4-{[(1E)-(2-hydroxyphenyl)methylene]amino}phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-{[(1E)-(2-hydroxyphenyl)methylene]amino}phenyl)methanone",NA,"C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)N=CC4=CC=CC=C4O)O","FORBLOQNRWCGFE-UHFFFAOYSA-N",395813,NA,"PDBC32275","700701","Present",NA,NA
+"32276","Bis(5-(2,2-bis(5-(bis(4-tert-butylphenyl)(methoxy)methyl)-2,4-dimethylphenyl)-2-methoxyethyl)-2,4-dimethylphenyl)(4-tert-butylphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[5-[2,2-bis[5-[bis(4-tert-butylphenyl)-methoxymethyl]-2,4-dimethylphenyl]-2-methoxyethyl]-2,4-dimethylphenyl]-(4-tert-butylphenyl)methanol",NA,"CC1=CC(=C(C=C1CC(C2=CC(=C(C=C2C)C)C(C3=CC=C(C=C3)C(C)(C)C)(C4=CC=C(C=C4)C(C)(C)C)OC)(C5=CC(=C(C=C5C)C)C(C6=CC=C(C=C6)C(C)(C)C)(C7=CC=C(C=C7)C(C)(C)C)OC)OC)C(C8=CC=C(C=C8)C(C)(C)C)(C9=C(C=C(C(=C9)CC(C1=CC(=C(C=C1C)C)C(C1=CC=C(C=C1)C(C)(C)C)(C1=CC=C(C=C1)C(C)(C)C)OC)(C1=CC(=C(C=C1C)C)C(C1=CC=C(C=C1)C(C)(C)C)(C1=CC=C(C=C1)C(C)(C)C)OC)OC)C)C)O)C","QSFPNNHCYZDCAP-UHFFFAOYSA-N",16129819,NA,"PDBC32276","682798","Present",NA,NA
+"32277","Bis(5-bromo-2-hydroxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TX-012257",NA,"C1=CC(=C(C=C1Br)C(=O)C2=C(C=CC(=C2)Br)O)O","VRLIJNKTPYPWQI-UHFFFAOYSA-N",221012,NA,"PDBC32277","4631","Present",NA,NA
+"32278","Bis(5-chloro-2-((2-(3-chlorophenoxy)-1H-imidazol-1-yl)sulfonyl)-4-methylphenyl) disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(5-chloro-2-((2-(3-chlorophenoxy)-1H-imidazol-1-yl)sulfonyl)-4-methylphenyl) disulfide",NA,"CC1=CC(=C(C=C1Cl)SSC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)N3C=CN=C3OC4=CC(=CC=C4)Cl)S(=O)(=O)N5C=CN=C5OC6=CC(=CC=C6)Cl","UNNAWFSQMXXURP-UHFFFAOYSA-N",393934,NA,"PDBC32278","696906","Present",NA,NA
+"32279","Bis(5-chloro-4-methyl-2-((2-phenoxy-1H-imidazol-1-yl)sulfonyl)phenyl) disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(5-chloro-4-methyl-2-((2-phenoxy-1H-imidazol-1-yl)sulfonyl)phenyl) disulfide",NA,"CC1=CC(=C(C=C1Cl)SSC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)N3C=CN=C3OC4=CC=CC=C4)S(=O)(=O)N5C=CN=C5OC6=CC=CC=C6","AFZPENALDCLFDL-UHFFFAOYSA-N",393933,NA,"PDBC32279","696905","Present",NA,NA
+"32280","Bis(5-cholestene-3beta-olato)bis(1-phenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(5-cholestene-3.beta.-olato)bis(1-phenylbutane-1,3- d...",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","JURMUSJPWLJEHF-NRFYLTCHSA-N",368273,NA,"PDBC32280","638733","Present",NA,NA
+"32281","Bis(5-methyl-1H-1,2,4-triazole-3-yl)methane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(5-methyl-1H-1,2,4-triazole-3-yl)methane",NA,"CC1=NC(=NN1)CC2=NNC(=N2)C","ZSGFOXSLSMSYCI-UHFFFAOYSA-N",390145,NA,"PDBC32281","687213","Present",NA,NA
+"32282","Bis(8-chloro-6-(2-fluorophenyl)pyrrolo[3,4-d][2]benzazepin-2(4H)-yl)-N,N-dimethylmethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(8-chloro-6-(2-fluorophenyl)pyrrolo[3,4-d][2]benzazepin-2(4H)-yl)-N,N-dimethylmethanamine",NA,"CN(C)C(N1C=C2CN=C(C3=C(C2=C1)C=CC(=C3)Cl)C4=CC=CC=C4F)N5C=C6CN=C(C7=C(C6=C5)C=CC(=C7)Cl)C8=CC=CC=C8F","DFHWUWIOMAVDCH-UHFFFAOYSA-N",356626,NA,"PDBC32282","613238","Present",NA,NA
+"32283","Bis(8-quinolyloxy)-divinyl-stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(8-quinolyloxy)-divinyl-stannane",NA,"C=C[Sn](C=C)(OC1=CC=CC2=C1N=CC=C2)OC3=CC=CC4=C3N=CC=C4","DDASWQGZVMLOSU-UHFFFAOYSA-L",16683149,NA,"PDBC32283","628593","Present",NA,NA
+"32284","Bis(8-quinolylsulfanyl)-divinyl-stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(8-quinolylsulfanyl)-divinyl-stannane",NA,"C=C[Sn](C=C)(SC1=CC=CC2=C1N=CC=C2)SC3=CC=CC4=C3N=CC=C4","MCSOMHUOVIBKIY-UHFFFAOYSA-L",9569949,NA,"PDBC32284","628594","Present",NA,NA
+"32285","Bis(N,3-dionato)titanium(IV)-dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(N,N-dimethyl-4-aminophenolato)bis(1-phenylbutane-1,3...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].Cl.[Ti+4]","WDOPMQMMARKOAE-UHFFFAOYSA-L",11979334,NA,"PDBC32285","638742","Present",NA,NA
+"32286","Bis(N-methylcarbamic acid)[1-methyl-2-(ethylthio)-1H-imidazole-4,5-diyl]bismethylene ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Ethylsulfanyl-1-methyl-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate",NA,"CCSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC","AFBGHNCPZKUANB-UHFFFAOYSA-N",361109,NA,"PDBC32286","623918","Present",NA,NA
+"32287","Bis(N-methylcarbamic acid)[1-methyl-2-(methylsulfinyl)-1H-imidazole-4,5-diyl]bismethylene ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Methyl-2-(methylsulfinyl)-1H-imidazole-4,5-diyl]dimethanediyl bis(methylcarbamate)",NA,"CNC(=O)OCC1=C(N(C(=N1)S(=O)C)C)COC(=O)NC","NRFPJXGEYXQGFP-UHFFFAOYSA-N",361112,NA,"PDBC32287","623921","Present",NA,NA
+"32288","Bis(N-methylcarbamic acid)[1-methyl-2-(propylsulfinyl)-1H-imidazole-4,5-diyl]bismethylene ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Methyl-2-(propylsulfinyl)-1H-imidazole-4,5-diyl]dimethanediyl bis(methylcarbamate)",NA,"CCCS(=O)C1=NC(=C(N1C)COC(=O)NC)COC(=O)NC","HPKGPJWDFVGLQL-UHFFFAOYSA-N",361113,NA,"PDBC32288","623923","Present",NA,NA
+"32289","Bis(N-methylen-(methoxycarbonyl)-3-dioxy-7alpha,12alpha-diacetoxy-5beta-cholan-24-amide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(N-methylen-(methoxycarbonyl)-3-dioxy-7.alpha.,12.alp...",NA,"CC(CCC(=O)NCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)NCC(=O)OC)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C","XYLMYWIQJPZHDM-OIHFVRGOSA-N",404220,NA,"PDBC32289","720388","Present",NA,NA
+"32290","Bis(O-demethylmurrayafoline A)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Hydroxy-3-methyl-9H-carbazol-2-yl)-3-methyl-9H-carbazol-1-ol",NA,"CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C5=CC=CC=C5N4)O)O)NC6=CC=CC=C62","OBYMXIXWIULNKR-UHFFFAOYSA-N",6712793,NA,"PDBC32290","713163","Present",NA,NA
+"32291","Bis(Perfluorobutylsulfonyl)methylenephenyliodine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JSICGBRQXBLHDU-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)I=C(S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","JSICGBRQXBLHDU-UHFFFAOYSA-N",384396,NA,"PDBC32291","674120","Present",NA,NA
+"32292","Bis(carboxydiphenylmethanolato)bis(1-phenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(carboxydiphenylmethanolato)bis(1-phenylbutane-1,3- d...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[O-].C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)[O-])[O-].[Ti+4]","WSNATHJNXHSFDH-UHFFFAOYSA-L",24202319,NA,"PDBC32292","638385","Present",NA,NA
+"32293","Bis(chinoline-5-sulfo-8-olato)bis(2,3-dioxane-4,6-dionato)titanium(IV)-teraaquo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(chinoline-5-sulfo-8-olato)bis(2,2-dimethyl- 1,3-diox...",NA,"CC1(OC(=CC(=O)O1)[O-])C.CC1(OC(=CC(=O)O1)[O-])C.C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].[Ti+4]","LZYFIZULFBKBJH-UHFFFAOYSA-H",24202328,NA,"PDBC32293","638848","Present",NA,NA
+"32294","Bis(cis-cyclohexane-1,O2,O3,O4)diplatinum(II)-dhydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(cis-cyclohexane-1,3-diamine)(.mu.-carbonyldiphosphon...",NA,"C1CCC(C(C1)N)N.C1CCC(C(C1)N)N.C(=O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Pt+4].[Pt+4]","XMSGMRZPONYPKQ-HCKZUOKGSA-J",24202409,NA,"PDBC32294","647063","Present",NA,NA
+"32295","Bis(diaminomethylidene)azanium;styrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC372160",NA,"C=CC1=CC=CC=C1.C(=[N+]=C(N)N)(N)N","JVCPLBCZZAJGMU-UHFFFAOYSA-O",54600622,NA,"PDBC32295","372160","Present",NA,NA
+"32296","Bis(dibenzylamino)methylideneurea;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650958",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=NC(=O)N)N(CC3=CC=CC=C3)CC4=CC=CC=C4.Cl","GIUQCRVYZXDHAD-UHFFFAOYSA-N",373929,NA,"PDBC32296","650958","Present",NA,NA
+"32297","Bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(diethylcarbamothioylsulfanyl)bismuthanyl N,N-diethylcarbamodithioate",NA,"CCN(CC)C(=S)S[Bi](SC(=S)N(CC)CC)SC(=S)N(CC)CC","YTLFVJABOBHSFS-UHFFFAOYSA-K",273108,NA,"PDBC32297","118051","Present",NA,NA
+"32298","Bis(dimethylamino)-ethyl-phenylphosphanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678494",NA,"CC[P+](C1=CC=CC=C1)(N(C)C)N(C)C.[I-]","QPLQJEKFVQCYGC-UHFFFAOYSA-M",386467,NA,"PDBC32298","678494","Present",NA,NA
+"32299","Bis(dimethylamino)glyoxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622661",NA,"CN(C)C(=NO)C(=NO)N(C)C","DJBGDNBFQRRQCX-KQQUZDAGSA-N",135510062,NA,"PDBC32299","622661","Present",NA,NA
+"32300","Bis(dimethylglyoxime)palladium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(dimethylglyoxime)palladium",NA,"CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.[Pd]","DVTACKYOQLNVFG-BVHINDLDSA-N",135539500,NA,"PDBC32300","165682","Present",NA,NA
+"32301","Bis(dinitropropyl)thiocarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(dinitropropyl)thiocarbonate",NA,"CC(COC(=S)OCC(C)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]","LQWOYVONCHRVBI-UHFFFAOYSA-N",385940,NA,"PDBC32301","677412","Present",NA,NA
+"32302","Bis(flavone-3,7-trihydroxy-2',4'-diolato) titanium(IV)-tetrahydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(flavone-3,5,7-trihydroxy-2',4'-diolato) titanium(IV)...",NA,"C1=CC(=C(C=C1O)[O-])C2=C(C(=O)C3=C(C=C(C=C3O2)O)[O-])[OH2+].C1=CC(=C(C=C1O)[O-])C2=C(C(=O)C3=C(C=C(C=C3O2)O)[O-])[OH2+].[Ti+4]","DXPOBPZVYCBMHD-UHFFFAOYSA-L",54608928,NA,"PDBC32302","638847","Present",NA,NA
+"32303","Bis(helenalinyl)glutarate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(helenalinyl)glutarate",NA,"CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)CCCC(=O)OC4C5C(CC(C6C4(C(=O)C=C6)C)C)OC(=O)C5=C)C(=C)C(=O)O2","PCLGLSWYMVOCFV-VSUOEQHXSA-N",336831,NA,"PDBC32303","352330","Present",NA,NA
+"32304","Bis(indole)dibenzyltindi(isothiocyanate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(indole)dibenzyltindi(isothiocyanate)",NA,NA,NA,NA,NA,"PDBC32304","695419","Present",NA,NA
+"32305","Bis(indole)dibenzyltindichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(indole)dibenzyltindichloride",NA,NA,NA,NA,NA,"PDBC32305","695417","Present",NA,NA
+"32306","Bis(methylthio)maleonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(methylthio)maleonitrile",NA,"CSC(=C(C#N)SC)C#N","JYGDGMIEJUMABD-AATRIKPKSA-N",5929688,NA,"PDBC32306","14022","Present",NA,NA
+"32307","Bis(p-methoxyphenyl)selenide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCRIS 4541",NA,"COC1=CC=C(C=C1)[Se]C2=CC=C(C=C2)OC","LURBCACEKXUJEG-UHFFFAOYSA-N",155624,NA,"PDBC32307","632602","Present",NA,NA
+"32308","Bis(phenylsulfonyl)-2-quinolinylmethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(phenylsulfonyl)-2-quinolinylmethane",NA,"C1=CC=C(C=C1)S(=O)(=O)C(C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC=CC=C4","BMDIXOOKVXZORU-UHFFFAOYSA-N",385346,NA,"PDBC32308","676464","Present",NA,NA
+"32309","Bis(pivaloyloxymethyl) ester of 2'-Azido-deoxyuridine 5'-monophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(pivaloyloxymethyl) ester of 2'-Azido-deoxyuridine 5'...",NA,"CC(C)(C)C(=O)OCOP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)N=[N+]=[N-])O)OCOC(=O)C(C)(C)C","QKKHGQTYOGPULO-UHFFFAOYSA-N",384226,NA,"PDBC32309","673631","Present",NA,NA
+"32310","Bis(prop-2-enyl) (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoyl]amino]butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(prop-2-enyl) (2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoyl]amino]butanedioate",NA,"C=CCOC(=O)CC(C(=O)OCC=C)NC(=O)C(CC1=CC=C(C=C1)O)NCC(F)(F)F","NHTFCJYCGMQQHK-IRXDYDNUSA-N",400545,NA,"PDBC32310","712623","Present",NA,NA
+"32311","Bis(prop-2-enyl) (2S)-2-[[(2S)-5,5,5-trifluoro-2-[(4-hydroxyphenyl)methyl]pentanoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(prop-2-enyl) (2S)-2-[[(2S)-5,5,5-trifluoro-2-[(4-hydroxyphenyl)methyl]pentanoyl]amino]pentanedioate",NA,"C=CCOC(=O)CCC(C(=O)OCC=C)NC(=O)C(CCC(F)(F)F)CC1=CC=C(C=C1)O","FCCQYWHOGVQTDS-HKUYNNGSSA-N",400546,NA,"PDBC32311","712624","Present",NA,NA
+"32312","Bis(salicylidene-2-imino-3-hydroxy-butyric acid)cobalt(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(salicylidene-2-imino-3-hydroxy-butyric acid)cobalt(II)",NA,"CC(C(C(=O)[O-])N=CC1=CC=CC=C1[O-])O.CC(C(C(=O)[O-])N=CC1=CC=CC=C1[O-])O.[Co+2]","JMQFQEGLRRPXFG-UHFFFAOYSA-J",364749,NA,"PDBC32312","631464","Present",NA,NA
+"32313","Bis(salicylidene-2-methyl-1-propanole-2-imine)cobalt(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(salicylidene-2-methyl-1-propanole-2-imine)cobalt(II)",NA,"CC(C)(CO)N=CC1=CC=CC=C1[O-].CC(C)(CO)N=CC1=CC=CC=C1[O-].[Co+2]","WYNHSSFWBLSERL-UHFFFAOYSA-L",364751,NA,"PDBC32313","631467","Present",NA,NA
+"32314","Bis(salicylidene-4-sulfonic acid-aniline)cobalt(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(salicylidene-4-sulfonic acid-aniline)cobalt(III)",NA,"C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)[O-])[O-].C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)[O-])[O-].[Co+2]","MDTMPTHMAQZIGR-UHFFFAOYSA-J",364747,NA,"PDBC32314","631456","Present",NA,NA
+"32315","Bis(salicylidene-tert-butylamine)cobalt(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(salicylidene-tert-butylamine)cobalt(II)",NA,"CC(C)(C)N=CC1=CC=CC=C1[O-].CC(C)(C)N=CC1=CC=CC=C1[O-].[Co+2]","ALIWKLKVIWXWBK-UHFFFAOYSA-L",365225,NA,"PDBC32315","632567","Present",NA,NA
+"32316","Bis(salicylidenebenzylamine)cobalt(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(salicylidenebenzylamine)cobalt(II)",NA,"C1=CC=C(C=C1)CN=CC2=CC=CC=C2[O-].C1=CC=C(C=C1)CN=CC2=CC=CC=C2[O-].[Co+2]","CFICOLGLZXKOEA-UHFFFAOYSA-L",6711572,NA,"PDBC32316","631457","Present",NA,NA
+"32317","Bis(triethylgermyl) butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000758",NA,"CC[Ge](CC)(CC)OC(=O)CCC(=O)O[Ge](CC)(CC)CC","WVWLQDVQVQCPPF-UHFFFAOYSA-N",16683583,NA,"PDBC32317","653558","Present",NA,NA
+"32318","Bis-(4-chloro-2-nitro-phenyl) sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-(4-chloro-2-nitro-phenyl) sulfone",NA,"C1=CC(=C(C=C1Cl)[N+](=O)[O-])S(=O)(=O)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]","BMCHGTVACZAQDJ-UHFFFAOYSA-N",376218,NA,"PDBC32318","656836","Present",NA,NA
+"32319","Bis-.mu.-acetatodiaquatetrachlororhenium(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-.mu.-acetatodiaquatetrachlororhenium(II)",NA,NA,NA,NA,NA,"PDBC32319","634046","Present",NA,NA
+"32320","Bis-.mu.-butyratodiaquotetrabromorhenium(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-.mu.-butyratodiaquotetrabromorhenium(II)",NA,NA,NA,NA,NA,"PDBC32320","631899","Present",NA,NA
+"32321","Bis-.mu.-propionatodiaquatetrabromorhenium(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-.mu.-propionatodiaquatetrabromorhenium(II)",NA,NA,NA,NA,NA,"PDBC32321","631894","Present",NA,NA
+"32322","Bis-2,4-dimethoxyphenylselenide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-2,4-dimethoxyphenylselenide",NA,"COC1=CC(=C(C=C1)[Se]C2=C(C=C(C=C2)OC)OC)OC","XNCUXFVJNXZBBO-UHFFFAOYSA-N",365233,NA,"PDBC32322","632580","Present",NA,NA
+"32323","Bis-2-[{6-[1-(3,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl}oxy] ethylether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-2-[{6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3-benzodio...",NA,"CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCOCCOC4=CC5=C(C=C4C(C)C6=CC(=C(C(=C6)OC)OC)OC)OCO5)OCO3","ZRGTWNHAJWTACB-UHFFFAOYSA-N",372021,NA,"PDBC32323","646837","Present",NA,NA
+"32324","Bis-4-(t-Butyl)pyrimidinium-pentachloro-4-(t-butyl) pyri...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-4-(t-Butyl)pyrimidinium-pentachloro-4-(t-butyl) pyri...",NA,NA,NA,NA,NA,"PDBC32324","630134","Present",NA,NA
+"32325","Bis-4-ethylpyridinium-pentachloro-4-ethylpyridineruthena...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-4-ethylpyridinium-pentachloro-4-ethylpyridineruthena...",NA,NA,NA,NA,NA,"PDBC32325","630132","Present",NA,NA
+"32326","Bis-A-tda",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methanediamine, n,n'-bis(1,3,4-thiadiazol-2-yl)-",NA,"C1=NN=C(S1)NCNC2=NN=CS2","WMAHFAYLCMTHCB-UHFFFAOYSA-N",97676,NA,"PDBC32326","143019","Present",NA,NA
+"32327","Bis-[3,3'-(2-nitroimidazol-1H-yl)propyl]amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-[3,3'-(2-nitroimidazol-1H-yl)propyl]amine hydrochloride",NA,"C1=CN(C(=N1)[N+](=O)[O-])CCCNCCCN2C=CN=C2[N+](=O)[O-].Cl","XLKJQHJYOQOCNA-UHFFFAOYSA-N",378461,NA,"PDBC32327","661066","Present",NA,NA
+"32328","Bis-arylpurine derivatives",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-arylpurine derivatives",NA,"C1=CC=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)Cl)CN4C=NC5=C4N=C(N=C5Cl)Cl","NBXZVKDUQLHBDJ-UHFFFAOYSA-N",16126516,NA,"PDBC32328","733893","Present",NA,NA
+"32329","Bis-triazole derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIS-TRIAZOLE DERIVATIVE",NA,"C1=CC(=C(C=C1Cl)Cl)OCC2=NN3C(=NN=C3S2)CCCCC4=NN=C5N4N=C(S5)COC6=C(C=C(C=C6)Cl)Cl","ZSGIJNNWWQMATG-UHFFFAOYSA-N",11734970,NA,"PDBC32329","725740","Present",NA,NA
+"32330","Bis-{(5,11-diketo-11H[1,2-c]isoquinoline)-6-ethy lamino-ethylamino}ethane Tetra(trifluoroacetate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-{(5,6-dihydro-5,11-diketo-11H[1,2-c]isoquinoline)-6-...",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCNCCNCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","BOOWIMAXPOBHAS-UHFFFAOYSA-N",45027878,NA,"PDBC32330","730631","Present",NA,NA
+"32331","Bis[(1-phenylbutane-1,3-dionato)distearato]titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[(1-phenylbutane-1,3-dionato)distearato]titanium(IV)",NA,"CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","WQJUMAYBKGQFGV-UHFFFAOYSA-L",368057,NA,"PDBC32331","638381","Present",NA,NA
+"32332","Bis[(4-nitrophenyl)methyl] 2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[(4-nitrophenyl)methyl] 2-[[2-(tert-butoxycarbonylamino)-4-methyl-pentanoyl]amino]pentanedioate",NA,"CC(C)CC(C(=O)NC(CCC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C","GVFHDMKMODEFLZ-UHFFFAOYSA-N",382702,NA,"PDBC32332","670350","Present",NA,NA
+"32333","Bis[(5-ethylpyridin-2-yl)methyl] 4-(2,3-dihydro-1,4-dioxin-5-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[2-(5-ethylpyridyl)methyl]4-[2-(5,6-dihydro-p-dioxin ...",NA,"CCC1=CN=C(C=C1)COC(=O)C2=C(NC(=C(C2C3=COCCO3)C(=O)OCC4=NC=C(C=C4)CC)C)C","YWKFGWNTDPFJIZ-UHFFFAOYSA-N",130889,NA,"PDBC32333","650212","Present",NA,NA
+"32334","Bis[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)methyl] sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[(5-methyl-2,2-dioxo-1,3,2-dioxathian-5-yl)methyl] sulfate",NA,"CC1(COS(=O)(=O)OC1)COS(=O)(=O)OCC2(COS(=O)(=O)OC2)C","OGJMCYIMYPHSFT-UHFFFAOYSA-N",398487,NA,"PDBC32334","708390","Present",NA,NA
+"32335","Bis[1-(4-methylpiperidino)-4-(2-pyridyl)-2,3-diazapenta ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[1-(4-methylpiperidino)-4-(2-pyridyl)-2,3-diazapenta ...",NA,NA,NA,NA,NA,"PDBC32335","666160","Present",NA,NA
+"32336","Bis[1-azepanyl-4-(2-pyridyl)-2,3-diazapenta-1,3-dien-1-t...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[1-azepanyl-4-(2-pyridyl)-2,3-diazapenta-1,3-dien-1-t...",NA,NA,NA,NA,NA,"PDBC32336","666159","Present",NA,NA
+"32337","Bis[2-((2'-methoxyphenylaminyl)(phenyl)methyl)indane-1,3-dionato]copper(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[2-((2'-methoxyphenylaminyl)(phenyl)methyl)indane-1,3...",NA,"COC1=CC=CC=C1[N-]C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C3=O)[O-].COC1=CC=CC=C1[N-]C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C3=O)[O-].[Cu+2]","PIOXZNYFLKSYBV-UHFFFAOYSA-L",368327,NA,"PDBC32337","639084","Present",NA,NA
+"32338","Bis[2-((phenylaminyl)(phenyl)methyl)indane-1,3-dionato] nickel(II)-dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[2-((phenylaminyl)(phenyl)methyl)indane-1,3-dionato] ...",NA,"C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.[Ni+2]","GKSMQNNJCCYGAH-UHFFFAOYSA-L",24202332,NA,"PDBC32338","639094","Present",NA,NA
+"32339","Bis[2-(hydroxymethyl)butyl] (E)-but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[2-(hydroxymethyl)butyl] (E)-but-2-enedioate",NA,"CCC(CO)COC(=O)C=CC(=O)OCC(CC)CO","KJSUWENZDJFREL-AATRIKPKSA-N",5387633,NA,"PDBC32339","625454","Present",NA,NA
+"32340","Bis[2-[(1-benzyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]ethyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[2-[(1-benzyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]ethyl] decanedioate",NA,"C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)C(=O)NC(=O)NCCOC(=O)CCCCCCCCC(=O)OCCNC(=O)NC(=O)C3=CN(C(=O)NC3=O)CC4=CC=CC=C4","ONZHAAZSUVWXMZ-UHFFFAOYSA-N",369988,NA,"PDBC32340","642509","Present",NA,NA
+"32341","Bis[2-[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]phenyl]ethyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[2-[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]phenyl]ethyl] decanedioate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2=CC=C(C=C2)CCOC(=O)CCCCCCCCC(=O)OCCC3=CC=C(C=C3)N4C=C(C(=O)NC4=O)C(=O)NC(=O)OCC","YCJQLPWDBYQGEK-UHFFFAOYSA-N",368407,NA,"PDBC32341","639400","Present",NA,NA
+"32342","Bis[3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)carbamoylamino]propyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)carbamoylamino]propyl] decanedioate",NA,"C1=C(C(=O)NC(=O)N1)C(=O)NC(=O)NCCCOC(=O)CCCCCCCCC(=O)OCCCNC(=O)NC(=O)C2=CNC(=O)NC2=O","GBHWIVIPFIMNBW-UHFFFAOYSA-N",370274,NA,"PDBC32342","643052","Present",NA,NA
+"32343","Bis[3-[5-(benzyloxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[3-[5-(benzyloxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate",NA,"C1=CC=C(C=C1)COC(=O)NC(=O)C2=CN(C(=O)NC2=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC4=CC=CC=C4","RRINSNBRMSZKCE-UHFFFAOYSA-N",369635,NA,"PDBC32343","641546","Present",NA,NA
+"32344","Bis[3-[5-(butoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(3-{5-[(butoxycarbonyl)carbamoyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}propyl) decanedioate",NA,"CCCCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCCCC","DZNOOUYZUXXHOE-UHFFFAOYSA-N",368406,NA,"PDBC32344","639399","Present",NA,NA
+"32345","Bis[3-[5-(butoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[3-[5-(butoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] decanedioate",NA,"CCCCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCCCC","LIJDIPAMXKLZGU-UHFFFAOYSA-N",368642,NA,"PDBC32345","639756","Present",NA,NA
+"32346","Bis[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[3-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxo-pyrimidin-1-yl]propyl] decanedioate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC","SEPIVMDQMBNFMD-UHFFFAOYSA-N",362009,NA,"PDBC32346","625513","Present",NA,NA
+"32347","Bis[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] decanedioate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC","FAWIUCRTXYTRFD-UHFFFAOYSA-N",368823,NA,"PDBC32347","640091","Present",NA,NA
+"32348","Bis[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] dodecanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propyl] dodecanedioate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)CCCOC(=O)CCCCCCCCCCC(=O)OCCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC","QLXBEMLHQORJKQ-UHFFFAOYSA-N",368641,NA,"PDBC32348","639755","Present",NA,NA
+"32349","Bis[3-[5-(methoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]propyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(3-{5-[(methoxycarbonyl)carbamoyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl}propyl) decanedioate",NA,"COC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCOC(=O)CCCCCCCCC(=O)OCCCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OC","UYUVSXIYSIRMIT-UHFFFAOYSA-N",368819,NA,"PDBC32349","640087","Present",NA,NA
+"32350","Bis[3-amino-4-(dimethylamino)phenyl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-DIAMINO-4,4'-BIS(DIMETHYLAMINO)BENZOPHENONE",NA,"CN(C)C1=C(C=C(C=C1)C(=O)C2=CC(=C(C=C2)N(C)C)N)N","OSABJXFEGLRNTG-UHFFFAOYSA-N",219490,NA,"PDBC32350","885","Present",NA,NA
+"32351","Bis[4-(2-phenylethyl)thiophen-3-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-phenethyl-3-thienyl)methanone",NA,"C1=CC=C(C=C1)CCC2=CSC=C2C(=O)C3=CSC=C3CCC4=CC=CC=C4","ICGJMJTZNUGTLV-UHFFFAOYSA-N",396277,NA,"PDBC32351","701974","Present",NA,NA
+"32352","Bis[4-(3,4-dichlorophenyl)piperazin-1-yl]methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[4-(3,4-dichlorophenyl)piperazin-1-yl]methanethione",NA,"C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=S)N3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl","BHYWTXXDWFTKNI-UHFFFAOYSA-N",388909,NA,"PDBC32352","684145","Present",NA,NA
+"32353","Bis[4-(3-chlorophenyl)piperazin-1-yl]methanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[4-(3-chlorophenyl)piperazin-1-yl]methanethione",NA,"C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)N3CCN(CC3)C4=CC(=CC=C4)Cl","RRAFPVMVQWKBJF-UHFFFAOYSA-N",388908,NA,"PDBC32353","684144","Present",NA,NA
+"32354","Bis[4-(3-methyl-2-quinoxalinyl)phenyl]diazene oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[4-(3-methyl-2-quinoxalinyl)phenyl]diazene oxide",NA,"CC1=NC2=CC=CC=C2N=C1C3=CC=C(C=C3)N=[N+](C4=CC=C(C=C4)C5=NC6=CC=CC=C6N=C5C)[O-]","DFQPITYGXWWMAR-UHFFFAOYSA-N",247982,NA,"PDBC32354","63875","Present",NA,NA
+"32355","Bis[4-amino-3-cyanophenyl]sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-413/36101002",NA,"C1=CC(=C(C=C1SC2=CC(=C(C=C2)N)C#N)C#N)N","HSUYVLRLGOKVNJ-UHFFFAOYSA-N",393410,NA,"PDBC32355","695264","Present",NA,NA
+"32356","Bis[4-morpholino-2,3,5-triazine] iron(III) complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis[4-morpholino-2,6-bis[hydroxy(methyl)amino]-1,3,5-tri...",NA,"CN(C1=NC(=NC(=N1)N2CCOCC2)N(C)[O-])[OH2+].CN(C1=NC(=NC(=N1)N2CCOCC2)N(C)[O-])[O-].[Fe+3]","YHZYXLLFJJIDSK-UHFFFAOYSA-O",54613128,NA,"PDBC32356","749910","Present",NA,NA
+"32357","Bis[5-[(1-allyl-3-methyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[5-[(1-allyl-3-methyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate",NA,"CN1C(=O)C(=CN(C1=O)CC=C)C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)C2=CN(C(=O)N(C2=O)C)CC=C","IQIPLOQYKKJSKF-UHFFFAOYSA-N",371536,NA,"PDBC32357","645857","Present",NA,NA
+"32358","Bis[5-[(1-benzyl-3-methyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[5-[(1-benzyl-3-methyl-2,4-dioxo-pyrimidine-5-carbonyl)carbamoylamino]pentyl] dodecanedioate",NA,"CN1C(=O)C(=CN(C1=O)CC2=CC=CC=C2)C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)C3=CN(C(=O)N(C3=O)C)CC4=CC=CC=C4","JOWCZUMLOPSHKG-UHFFFAOYSA-N",371535,NA,"PDBC32358","645856","Present",NA,NA
+"32359","Bis[5-[[1-(1-ethylpropyl)-2,4-dioxo-pyrimidine-5-carbonyl]carbamoylamino]pentyl] dodecanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[5-[[1-(1-ethylpropyl)-2,4-dioxo-pyrimidine-5-carbonyl]carbamoylamino]pentyl] dodecanedioate",NA,"CCC(CC)N1C=C(C(=O)NC1=O)C(=O)NC(=O)NCCCCCOC(=O)CCCCCCCCCCC(=O)OCCCCCNC(=O)NC(=O)C2=CN(C(=O)NC2=O)C(CC)CC","LSLDUUROZVSVKQ-UHFFFAOYSA-N",371185,NA,"PDBC32359","645239","Present",NA,NA
+"32360","Bis[[2-[(E)-[2-(2-furyl)-2-oxo-ethylidene]amino]phenyl]sulfanyl]nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[[2-[(E)-[2-(2-furyl)-2-oxo-ethylidene]amino]phenyl]sulfanyl]nickel",NA,NA,NA,NA,NA,"PDBC32360","626853","Present",NA,NA
+"32361","Bis[[3,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl] octanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis[[3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)te...",NA,"C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COC(=O)CCCCCCCCC(=O)OCC4C(C(C(O4)N5C=NC6=C5N=CNC6=O)O)O)O)O","YUPGCGMITBIMTP-UHFFFAOYSA-N",135499156,NA,"PDBC32361","641544","Present",NA,NA
+"32362","Bis[[3-[[[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]carbamothioyl-(1-adamantyl)amino]methyl]phenyl]methyl]-bis[[3-[(1-adamantylamino)methyl]phenyl]methyl]azanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Bis{3-[(tricyclo[3.3.1.13,7]decan-1-ylamino)methyl]ben...",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NNC(=S)N(CC4=CC(=CC=C4)C[N+](CC5=CC=CC(=C5)CNC67CC8CC(C6)CC(C8)C7)(CC9=CC=CC(=C9)CNC12CC3CC(C1)CC(C3)C2)CC1=CC=CC(=C1)CN(C(=S)NNC1=CC=C2C(=CC1=O)C(CCC1=CC(=C(C(=C12)OC)OC)OC)NC(=O)C)C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C3)C2)OC)OC)OC","XJLNEECZYOQDIA-BBLLEISNSA-O",155808069,NA,"PDBC32362","799315","Present",NA,NA
+"32363","Bis[[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[[4-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methyl] decanedioate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2C3C(C(O2)COC(=O)CCCCCCCCC(=O)OCC4C5C(C(O4)N6C=C(C(=O)NC6=O)C(=O)NC(=O)OCC)OC(O5)(C)C)OC(O3)(C)C","RIUVJXXLQCQSLS-UHFFFAOYSA-N",368820,NA,"PDBC32363","640088","Present",NA,NA
+"32364","Bis[[5-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl] decanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[[5-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]-3,4-dihydroxyoxolan-2-yl]methyl] decanedioate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)CCCCCCCCC(=O)OCC3C(C(C(O3)N4C=C(C(=O)NC4=O)C(=O)NC(=O)OCC)O)O)O)O","UCZURVOJCYVVPB-UHFFFAOYSA-N",368821,NA,"PDBC32364","640089","Present",NA,NA
+"32365","Bis[colchiceinato(1-)-kappa(sup 2)O(sup 9),O(sup 10]copper(II) sesquihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis[colchiceinato(1-)-.kappa.(sup 2)O(sup 9),O(sup 10]co...",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)[O-])OC)OC)OC.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)[O-])OC)OC)OC.[Cu+2]","SDYRYZPVHYXIHV-ZFQYHYQMSA-L",60147491,NA,"PDBC32365","749424","Present",NA,NA
+"32366","Bisabolene PEH-III G3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisabolene PEH-III G3",NA,"CC1=CCC(CC1)C(=C)CCC=C(C)C","XZRVRYFILCSYSP-UHFFFAOYSA-N",403919,NA,"PDBC32366","719625","Present",NA,NA
+"32367","Bisacetylacetone ethylenediimine tin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisacetylacetone ethylenediimine tin",NA,"CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.C(=N)C=N.[Sn+2]","PFDWUPZGEDOJKZ-UHFFFAOYSA-N",24202369,NA,"PDBC32367","644934","Present",NA,NA
+"32368","Bisacetylacetone propylenediiminodiphenyl tin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisacetylacetone propylenediiminodiphenyl tin",NA,NA,NA,NA,NA,"PDBC32368","644935","Present",NA,NA
+"32369","Bisantrene hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisantrene hydrochloride",NA,"C1CN=C(N1)NN=CC2=C3C=CC=CC3=C(C4=CC=CC=C42)C=NNC5=NCCN5.Cl","HBSXKBIYGYFNRF-JMLRMIEWSA-N",6326620,NA,"PDBC32369","337766","Present",NA,NA
+"32370","Bisarylpurines",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisarylpurines",NA,"C1=CC(=CC(=C1)COC2=CC(=CC=C2)OCC3=CC=CC(=C3)CN4C=NC5=C(N=CN=C54)NCCO)CN6C=NC7=C(N=CN=C76)NCCO","KOPVIXLOMLITBL-UHFFFAOYSA-N",24205965,NA,"PDBC32370","737529","Present",NA,NA
+"32371","Bisarylpyrimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisarylpyrimidine",NA,"CC1=CN(C(=O)N(C1=O)CC2=CC=CC=C2CCl)CC3=CC=CC=C3CCl","DLCGDVXPMIWIJC-UHFFFAOYSA-N",45027985,NA,"PDBC32371","740489","Present",NA,NA
+"32372","Bisarylpyrimidines",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisarylpyrimidines",NA,"C1=CC=C(C(=C1)CN2C=C(C(=O)N(C2=O)CC3=CC=CC=C3CCl)F)CCl","BFEVSMSEHKXNLY-UHFFFAOYSA-N",45028316,NA,"PDBC32372","742163","Present",NA,NA
+"32373","Bisbenzimidazolium-pentachlorobenzimidazoleruthenate(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisbenzimidazolium-pentachlorobenzimidazoleruthenate(III)",NA,NA,NA,NA,NA,"PDBC32373","630119","Present",NA,NA
+"32374","Bisbenzimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bisbenzimide",NA,"CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C.Cl","OTMWRDPOAAYNCR-UHFFFAOYSA-N",54600704,NA,"PDBC32374","334072","Present",NA,NA
+"32375","Bisethylxanthate trisulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bext (van)",NA,"CCOC(=S)SSSC(=S)OCC","XXYGYFJCOAIEEK-UHFFFAOYSA-N",15815,NA,"PDBC32375","402562","Present",NA,NA
+"32376","Bishelenalinyl malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bishelenalinyl malonate",NA,"CC1CC2C(C(C3(C1C=CC3=O)C)OC(=O)CC(=O)OC4C5C(CC(C6C4(C(=O)C=C6)C)C)OC(=O)C5=C)C(=C)C(=O)O2","YTQIEACOYYTJSM-SGTGAOPFSA-N",330973,NA,"PDBC32376","320951","Present",NA,NA
+"32377","Bisindolylmaleimide 11a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767243",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCSC(=N)N","OGEQEAYTMFZUQU-UHFFFAOYSA-N",5327937,NA,"PDBC32377","767243","Present",NA,NA
+"32378","Bisindolylmaleimide 6c",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767229",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCN","SSAOZDCFQCAHNO-UHFFFAOYSA-N",5327933,NA,"PDBC32378","767229","Present",NA,NA
+"32379","Bisindolylmaleimide IV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767269",NA,"C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54","DQYBRTASHMYDJG-UHFFFAOYSA-N",2399,NA,"PDBC32379","767269","Present",NA,NA
+"32380","Bisindolylmaleimide deriv. 17",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767240",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CNCCN5C6=CC=CC=C64","WGLDKILPHLGLGQ-UHFFFAOYSA-N",5327748,NA,"PDBC32380","767240","Present",NA,NA
+"32381","Bisindolylmaleimide deriv. 18a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767248",NA,"CNCC1CCN2C(=C(C3=CC=CC=C32)C4=C(C(=O)NC4=O)C5=CN(C6=CC=CC=C65)C)C1","GOIGMLFGWCXFQS-UHFFFAOYSA-N",5327749,NA,"PDBC32381","767248","Present",NA,NA
+"32382","Bisindolylmaleimide deriv. 5c",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767271",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CCCCCN5C6=CC=CC=C64","PMTQDTHDVBZNMC-UHFFFAOYSA-N",5327737,NA,"PDBC32382","767271","Present",NA,NA
+"32383","Bisindolylmaleimide deriv. 9a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767247",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CN5C6=CC=CC=C64)CN","NMGBFXCDTNEKFF-UHFFFAOYSA-N",5327738,NA,"PDBC32383","767247","Present",NA,NA
+"32384","Bisindolylmaleimide deriv. 9f",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767274",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CCC(CCN5C6=CC=CC=C64)CN","KHZQIBLXYBPFAA-UHFFFAOYSA-N",5327742,NA,"PDBC32384","767274","Present",NA,NA
+"32385","Bisindolylmaleimide v",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767267",NA,"CN1C(=O)C(=C(C1=O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","SWAWYMIKGOHZMR-UHFFFAOYSA-N",2400,NA,"PDBC32385","767267","Present",NA,NA
+"32386","Biskallolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Biskallolide A",NA,"CC1=C2C(C(CCC3=CC(C(C(=C1)O2)C(=C)C)OC3=O)C(=C)C)OC4C(CCC5=CC(C(C6=CC(=C4O6)C)C(=C)C)OC5=O)C(=C)C","ZAEXQDBLZPJMTJ-JEPKPHBVSA-N",396368,NA,"PDBC32386","702311","Present",NA,NA
+"32387","Bismurrayafoline A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bismurrayafoline A",NA,"CC1=CC2=C(C(=C1)OC)N(C3=CC=CC=C32)CC4=CC5=C(C(=C4)OC)NC6=CC=CC=C65","BWIDIGNNLPIYNM-UHFFFAOYSA-N",375158,NA,"PDBC32387","654292","Present",NA,NA
+"32388","Bismurrayafoline B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bismurrayafoline B",NA,"CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C5=C(N4)C(=C(C=C5)OC)CC=C(C)C)O)O)NC6=C2C=CC(=C6CC=C(C)C)OC","STVAUJYOJBWBNS-UHFFFAOYSA-N",375145,NA,"PDBC32388","654279","Present",NA,NA
+"32389","Bismuth, dichloro(1-piperidinylcarbamodithioato-S,S')-, ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bismuth, dichloro(1-piperidinylcarbamodithioato-S,S')-, ...",NA,NA,NA,NA,NA,"PDBC32389","625492","Present",NA,NA
+"32390","Bismuthine, (acetyloxy)diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bismuthine, (acetyloxy)diphenyl-",NA,"CC(=O)O[Bi](C1=CC=CC=C1)C2=CC=CC=C2","GQDHGSXQYMVUJR-UHFFFAOYSA-M",16683509,NA,"PDBC32390","353739","Present",NA,NA
+"32391","Bisnaphthalimidopropyl spermidine trihydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-[4-[3-[3-(1,3-Dioxobenzo[de]isoquinolin-2-yl)propylamino]propylamino]butylamino]propyl]benzo[de]isoquinoline-1,3-dione;hydrobromide",NA,"C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCNCCCCNCCCNCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Br","GPNBTIDIHYXYID-UHFFFAOYSA-N",397643,NA,"PDBC32391","706003","Present",NA,NA
+"32392","Bistropolonatodioxouranium(VI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bistropolonatodioxouranium(VI)",NA,"C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].O=[U+2]=O","UEROXIVWPDVMDH-UHFFFAOYSA-L",365920,NA,"PDBC32392","634044","Present",NA,NA
+"32393","Bis{2-[2'-phenolato(iminomethyl)]phenolatocopper(II)}",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis{2-[2'-phenolato(iminomethyl)]phenolatocopper(II)}",NA,"C1=CC=C(C(=C1)C=NC2=CC=CC=C2[O-])[O-].C1=CC=C(C(=C1)C=NC2=CC=CC=C2[O-])[O-].[Cu+2].[Cu+2]","BIRZQBYWUDRRNY-UHFFFAOYSA-J",368295,NA,"PDBC32393","638839","Present",NA,NA
+"32394","Bis{2-[2'-thiazolyl(iminomethyl)]phenolato}dioxouranium(VI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis{2-[2'-thiazolyl(iminomethyl)]phenolato}dioxouranium(VI)",NA,"C1=CC=C(C(=C1)C=NC2=NC=CS2)[O-].C1=CC=C(C(=C1)C=NC2=NC=CS2)[O-].O=[U+2]=O","VHJZIVWQNGXTKZ-UDGLLHLCSA-L",9570069,NA,"PDBC32394","638837","Present",NA,NA
+"32395","Bis{5-(3-indolyl)methylene triazolo[3,4-b]thiadiazole}disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis{5-(3-indolyl)methylene triazolo[3,4-b]thiadiazole}di...",NA,"C1=CC=C2C(=C1)C(=CN2)CC3=NN=C4N3N=C(S4)SSC5=NN6C(=NN=C6S5)CC7=CNC8=CC=CC=C87","ZFNMQXZIMYHHQE-UHFFFAOYSA-N",406260,NA,"PDBC32395","724305","Present",NA,NA
+"32396","Bithionol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bitin",NA,"C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl","JFIOVJDNOJYLKP-UHFFFAOYSA-N",2406,NA,"PDBC32396","47129","Present",NA,NA
+"32397","Biurea, 1,6-dimethyl-1,6-dinitroso-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydroazodicarboxybis(methylnitrosamide)",NA,"CN(C(=O)NNC(=O)N(C)N=O)N=O","VWCDVSANFVCUOI-UHFFFAOYSA-N",19701,NA,"PDBC32397","409425","Present",NA,NA
+"32398","Bizelesin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bizelesin",NA,"CC1=CNC2=C(C=C3C(=C12)C(CN3C(=O)C4=CC5=C(N4)C=CC(=C5)NC(=O)NC6=CC7=C(C=C6)NC(=C7)C(=O)N8CC(C9=C1C(=CNC1=C(C=C98)O)C)CCl)CCl)O","FONKWHRXTPJODV-DNQXCXABSA-N",60794,NA,"PDBC32398","615291","Present",NA,NA
+"32399","Bleomycin A5, sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bleomycin A5, sulfate",NA,"CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)O.OS(=O)(=O)O","DTXGEAJEYIBASZ-UHFFFAOYSA-N",422920,NA,"PDBC32399","149501","Present",NA,NA
+"32400","Bleomycin fraction blm-hpe",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bleomycin fraction BLM-HPE",NA,"CC1=C(N=C(N=C1N)C2CC(=O)N2CC(C(=O)N)N)C(=O)NC(C(C3=CN=CN3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC6=NC(=CS6)C7=NC(=CS7)C(=O)NCCNCC(C)O)O","BJQWJBNJYWTVGE-UHFFFAOYSA-N",423076,NA,"PDBC32400","150862","Present",NA,NA
+"32401","Bleomycin-BAPP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bleomycin bapp",NA,"CCCCNCCCNCCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)CCNC(=O)C(C(C)O)NC(=O)C(C)C(C(C)NC(=O)C(C(C3=CN=CN3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)OC(=O)N)O)NC(=O)C6=C(C(=NC(=N6)C(CC(=O)N)NCC(C(=O)N)N)N)C)O.OS(=O)(=O)O","VDJLTERWGFKNII-UHFFFAOYSA-N",431594,NA,"PDBC32401","294979","Present",NA,NA
+"32402","Blue platinum uracil compound",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Blue platinum uracil compound",NA,NA,NA,NA,NA,"PDBC32402","180512","Present",NA,NA
+"32403","Bmn-673 8R,9S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMN-673 enantiomer",NA,"CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F","HWGQMRYQVZSGDQ-HOTGVXAUSA-N",135742498,NA,"PDBC32403","767533","Present",NA,NA
+"32404","Bms-906024",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-906024",NA,"CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C(CCC(F)(F)F)C(CCC(F)(F)F)C(=O)N)C3=CC=CC=C3","AYOUDDAETNMCBW-GSHUGGBRSA-N",66550890,NA,"PDBC32404","780812","Present",NA,NA
+"32405","Bms-911543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-911543",NA,"CCN1C(=CC2=C3C(=C(N=C21)NC4=NN(C(=C4)C)C)N=CN3C)C(=O)N(C5CC5)C6CC6","JCINBYQJBYJGDM-UHFFFAOYSA-N",50922691,NA,"PDBC32405","766821","Present",NA,NA
+"32406","Bms-986142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-986142",NA,"CC1=C(C=CC=C1N2C(=O)C3=C(C(=CC=C3)F)N(C2=O)C)C4=C(C=C(C5=C4C6=C(N5)CC(CC6)C(C)(C)O)C(=O)N)F","ZRYMMWAJAFUANM-INIZCTEOSA-N",86582336,NA,"PDBC32406","828251","Present",NA,NA
+"32407","Bo-Xan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bo-xan",NA,"CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(CC2(C)C)O)C)C)C","KBPHJBAIARWVSC-DKLMTRRASA-N",5368396,NA,"PDBC32407","59193","Present",NA,NA
+"32408","Boc-(Ala-Hmb)2-OH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-(Ala-Hmb)2-OH",NA,"CC(C)C(C(=O)NC(C)C(=O)OC(C(C)C)C(=O)O)OC(=O)C(C)NC(=O)OC(C)(C)C","IPICFSFUAKDZEI-UHFFFAOYSA-N",381448,NA,"PDBC32408","668036","Present",NA,NA
+"32409","Boc-Asp(OtBu)-ONp",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Asp(OtBu)-ONp",NA,"CC(C)(C)OC(=O)CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C","PHQSQVFTGWZWKF-UHFFFAOYSA-N",382295,NA,"PDBC32409","669757","Present",NA,NA
+"32410","Boc-Gly-Ala-Phe-OMe",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Gly-Ala-Phe-OMe",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)OC(C)(C)C","VWMHVZQASBYBBB-UHFFFAOYSA-N",386863,NA,"PDBC32410","679677","Present",NA,NA
+"32411","Boc-Gly-D-Ala-Phe-OBzl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Gly-D-Ala-Phe-OBzl",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)OC(C)(C)C","VWMHVZQASBYBBB-NQIIRXRSSA-N",386864,NA,"PDBC32411","679678","Present",NA,NA
+"32412","Boc-Gly-Gly-Gly-Gly-OH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Gly-Gly-Gly-Gly-OH",NA,"CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)O","BWUKZCIJVKIEFH-UHFFFAOYSA-N",375655,NA,"PDBC32412","655476","Present",NA,NA
+"32413","Boc-Gly-Leu-Met-NMe2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Gly-Leu-Met-NMe2",NA,"CC(C)CC(C(=O)NC(CCSC)C(=O)N(C)C)NC(=O)CNC(=O)OC(C)(C)C","GRETYSXPUXVOFK-UHFFFAOYSA-N",386867,NA,"PDBC32413","679681","Present",NA,NA
+"32414","Boc-Gly-Phe-Leu-OEt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Gly-Phe-Leu-OEt",NA,"CCOC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)OC(C)(C)C","SWOVJOSFBUHPNM-UHFFFAOYSA-N",386869,NA,"PDBC32414","679683","Present",NA,NA
+"32415","Boc-GlyP(O)(OMe)2OMe",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-GlyP(O)(OMe)2OMe",NA,"CC(C)(C)OC(=O)NC(C(=O)OC)P(=O)(OC)OC","LJHAPRKTPAREGO-UHFFFAOYSA-N",397380,NA,"PDBC32415","705124","Present",NA,NA
+"32416","Boc-Leu-Asp(OBzl)-NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Leu-Asp(OBzl)-NH2",NA,"CC(C)CC(C(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C","BGVHOYOBTXOOIH-UHFFFAOYSA-N",386861,NA,"PDBC32416","679675","Present",NA,NA
+"32417","Boc-Leu-Asp(OBzl)-OBzl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Leu-Asp(OBzl)-OBzl",NA,"CC(C)CC(C(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","XTMJNANTDQKZAF-UHFFFAOYSA-N",386860,NA,"PDBC32417","679674","Present",NA,NA
+"32418","Boc-Leu-Pro-OBzl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Leu-Pro-OBzl",NA,"CC(C)CC(C(=O)N1CCCC1C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","NSADPSVGPKADJE-UHFFFAOYSA-N",386862,NA,"PDBC32418","679676","Present",NA,NA
+"32419","Boc-Leu-Ser(OEt)-NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Leu-Ser(OEt)-NH2",NA,"CCOCC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)OC(C)(C)C","RSNJIQZEZGSUHT-UHFFFAOYSA-N",386859,NA,"PDBC32419","679673","Present",NA,NA
+"32420","Boc-Phe-Phe-Ala-OBzl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boc-Phe-Phe-Ala-OBzl",NA,"CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)OC(C)(C)C","BZQGEWYWJOXRIF-UHFFFAOYSA-N",386865,NA,"PDBC32420","679679","Present",NA,NA
+"32421","Boc-amino-acetic acid diethylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FS-5087",NA,"CCN(CC)C(=O)CNC(=O)OC(C)(C)C","ZRZSEPNHPXXTKZ-UHFFFAOYSA-N",357734,NA,"PDBC32421","617253","Present",NA,NA
+"32422","Bohlmann K1404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K1404",NA,"CC=C(COC(=O)C)C(=O)OC1C=C(C(C=C1C)(C)C)C=O","RIYSKDBFFCNNSW-MLPAPPSSSA-N",5458641,NA,"PDBC32422","302295","Present",NA,NA
+"32423","Bohlmann K1507",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K1507",NA,"CC=C(C)C(=O)OC(CC1C(O1)(C)C)C(=CC=CC(C)(C=C)O)C","VXKDXPKKPDBCSU-MUUKSQMNSA-N",5458642,NA,"PDBC32423","302297","Present",NA,NA
+"32424","Bohlmann K1922",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K1922",NA,"CC1CCC(C2C1(C(C3=C(C2=O)OC=C3C)OC(=O)C(C)C)C)O","AXTBBOHGQOEWMH-UHFFFAOYSA-N",327387,NA,"PDBC32424","302301","Present",NA,NA
+"32425","Bohlmann K2604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K2604",NA,"CC1CC(CC2C1(CC(C(C2OC(=O)C=C(C)C)O)C(=C)C)C)O","JGLTUIDSFQWPBH-UHFFFAOYSA-N",327375,NA,"PDBC32425","302286","Present",NA,NA
+"32426","Bohlmann K2605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K2605",NA,"CC=C(C)C(=O)OC1CC(C2(CC(C(C(C2C1)OC(=O)C(=CC)C)O)C(=C)C)C)C","UUQIWSHEXZBHKY-VULZFCBJSA-N",54607478,NA,"PDBC32426","302287","Present",NA,NA
+"32427","Bohlmann K2630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K2630",NA,"CC(C)C(=O)OC1=C(C=C(C=C1)C(COC(=O)C(C)(C)OC(=O)C)C=C)OC","KTYZMIZSVMYQBQ-UHFFFAOYSA-N",327377,NA,"PDBC32427","302288","Present",NA,NA
+"32428","Bohlmann K3664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K3664",NA,"CC1C(O1)(C)C(=O)OC2CCC3(CC(=C)C(=C(C)C)CC3C2(C)OC(=O)C)C","VIORAONGMUKOPO-UHFFFAOYSA-N",330396,NA,"PDBC32428","318728","Present",NA,NA
+"32429","Bohlmann K4087",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K4087",NA,"CC#CC#CC=C1C=CC2(O1)CCCCO2","RNEORCMLRJNFGE-JYRVWZFOSA-N",6109338,NA,"PDBC32429","302307","Present",NA,NA
+"32430","Bonqkrekic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bongkrekic acid",NA,"CC(CC=CCCC=CC=CCC(C(=CC=C(C)C(=O)O)C)OC)C=CC(=CC(=O)O)CC(=O)O","SHCXABJSXUACKU-FKGXVRENSA-N",5381207,NA,"PDBC32430","112904","Present",NA,NA
+"32431","Bordeaux E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bordeaux e",NA,"C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)O)O.[Na+]","XXLYOUURXVUMTG-UHFFFAOYSA-N",135421964,NA,"PDBC32431","45206","Present",NA,NA
+"32432","Borinic acid, diphenyl-, 2-(dimethylamino)-1-phenylpropyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Borinic acid, diphenyl-, 2-(dimethylamino)-1-phenylpropyl ester",NA,NA,NA,NA,NA,"PDBC32432","667869","Present",NA,NA
+"32433","Borjatriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Borjatriol",NA,"CC1(CCCC2(C1CC(C3(C2CCC(O3)(C)C(CO)O)C)O)C)C","YWTBYYFVZRIQQE-GVDRKLJBSA-N",5459177,NA,"PDBC32433","639382","Present",NA,NA
+"32434","Bornane-2,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bornane-2,6-dione",NA,"CC1(C2CC(=O)C1(C(=O)C2)C)C","PCEVUTCFZAQRKV-UHFFFAOYSA-N",382555,NA,"PDBC32434","670164","Present",NA,NA
+"32435","Bornyl cinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bornyl cinnamate",NA,"CC1(C2CCC1(C(C2)OC(=O)C=CC3=CC=CC=C3)C)C","ACTRLDZRLKIJEH-SUCNGJPUSA-N",5354364,NA,"PDBC32435","7757","Present",NA,NA
+"32436","Boronic acid, L-(S)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681236",NA,"B(C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)N4CCOCC4)(O)O","BPXDSWBQAUJBST-ZEQRLZLVSA-N",387444,NA,"PDBC32436","681236","Present",NA,NA
+"32437","Boronic acid, [3-methyl-1-[[1-oxo-4-phenyl-2-[[(2-quinolinyl)carbonyl]amino]butyl]amino]butyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boronic acid, [3-methyl-1-[[1-oxo-4-phenyl- 2-[[(2-quino...",NA,"B(C(CC(C)C)NC(=O)C(CCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C=C2)(O)O","VBSHLQHMGVSWJF-GOTSBHOMSA-N",388335,NA,"PDBC32437","683086","Present",NA,NA
+"32438","Borrelidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Borrelidin",NA,"CC1CC(CC(C(C(=CC=CCC(OC(=O)CC(C(C1)C)O)C2CCCC2C(=O)O)C#N)O)C)C","OJCKRNPLOZHAOU-SLNPHPKOSA-N",5357974,NA,"PDBC32438","216128","Present",NA,NA
+"32439","Bostrycoidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bostrycoidin",NA,"CC1=CC2=C(C=N1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O","FGNZMGUTILLWJB-UHFFFAOYSA-N",72631,NA,"PDBC32439","103645","Present",NA,NA
+"32440","Botric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Botric acid",NA,NA,NA,NA,NA,"PDBC32440","238138","Present",NA,NA
+"32441","Botryodiplodin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Botryodiplodin (synthetic)",NA,"CC1C(COC1O)C(=O)C","CLYSZQBIUYRLNX-UHFFFAOYSA-N",33701,NA,"PDBC32441","157390","Present",NA,NA
+"32442","Bouvardia ternafolia",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bouvardia ternafolia",NA,"CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C.CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)OC)C)C","UTRRTPWLDQPVJH-UHFFFAOYSA-N",11979533,NA,"PDBC32442","227262","Present",NA,NA
+"32443","Bouvardin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bouvardin",NA,"CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)OC)C)C","TWOWSRSKGJSZHZ-UHFFFAOYSA-N",429598,NA,"PDBC32443","259968","Present",NA,NA
+"32444","Bractein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bractein",NA,"C1=C(C=C(C(=C1O)O)O)C=C2C(=O)C3=C(O2)C=C(C=C3OC4C(C(C(C(O4)CO)O)O)O)O","CNLUHMGCIFZWFM-DXNYSGJVSA-N",5387564,NA,"PDBC32444","624664","Present",NA,NA
+"32445","Bradykinin Antagonist",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bradykinin Antagonist",NA,"C1CCC2C(C1)CC(N2C(=O)C(C3CC4=CC=CC=C4C3)NC(=O)C(CO)NC(=O)C(C5CC6=CC=CC=C6C5)NC(=O)CNC(=O)C7CC(CN7C(=O)C8CCCN8C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=N)CCCCCCC(=N)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)N9CCCC9C(=O)N1CC(CC1C(=O)NCC(=O)NC(C1CC2=CC=CC=C2C1)C(=O)NC(CO)C(=O)NC(C1CC2=CC=CC=C2C1)C(=O)N1C2CCCCC2CC1C(=O)NC(CCCNC(=N)N)C(=O)O)O)O)C(=O)NC(CCCNC(=N)N)C(=O)O","UYRCOTSOPWOSJK-JXTBTVDRSA-N",16134278,NA,"PDBC32445","710295","Present",NA,NA
+"32446","Brahmic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brahmic acid",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)O","PRAUVHZJPXOEIF-UHFFFAOYSA-N",258809,NA,"PDBC32446","88135","Present",NA,NA
+"32447","Brahminoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brahminoside",NA,NA,NA,NA,NA,"PDBC32447","88136","Present",NA,NA
+"32448","Branebrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-986195",NA,"CC#CC(=O)NC1CCCN(C1)C2=C(C=C(C3=C2C(=C(N3)C)C)C(=O)N)F","VJPPLCNBDLZIFG-ZDUSSCGKSA-N",121293929,NA,"PDBC32448","807627","Present",NA,NA
+"32449","Brasilin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brasilin",NA,"C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4)O)O)O)O","UWHUTZOCTZJUKC-UHFFFAOYSA-N",222515,NA,"PDBC32449","8661","Present",NA,NA
+"32450","Bredinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bredinin",NA,"C1=NC(=C(N1C2C(C(C(O2)CO)O)O)O)C(=O)N","HZQDCMWJEBCWBR-UHFFFAOYSA-N",4213,NA,"PDBC32450","289637","Present",NA,NA
+"32451","Brefeldin A bis-(N,N-dimethylglycine) ester hydrochloride monohydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brefeldin A bis-(N,N-dimethylglycine) ester hydrochlorid...",NA,"CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)OC(=O)CN(C)C)OC(=O)CN(C)C.Cl","NACCDLGSDFWLGW-FNVRRHJVSA-N",24202420,NA,"PDBC32451","652680","Present",NA,NA
+"32452","Brefeldin A,3-dihydro-(2R)-(3'-aminophenylsulfinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brefeldin A,2,3-dihydro-(2R)-(3'-aminophenylsulfinyl)-",NA,"CC1CCCC=CC2CC(CC2C(C(CC(=O)O1)S(=O)C3=CC=CC(=C3)N)O)O","SNQFDHZTBOVQLH-NUGSJCHZSA-N",24202618,NA,"PDBC32452","713771","Present",NA,NA
+"32453","Brefeldin-1,13-dione, tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brefeldin-1,13-dione, tetrahydro-",NA,"CC1CCCCCC2CC(=O)CC2C(=O)CCC(=O)O1","VFPKFXHONKRPFZ-KTYPHDMWSA-N",376412,NA,"PDBC32453","657326","Present",NA,NA
+"32454","Brialmontin 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brialmontin 1",NA,"CC1=CC(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2C)C)OC)C)OC)C)OC","RTPOSGIWSAXENH-UHFFFAOYSA-N",371612,NA,"PDBC32454","646005","Present",NA,NA
+"32455","Briarellin R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Briarellin R",NA,"CCCC(=O)OC1(CCC2C(C(=O)OC3(CCC=C(CC4C1C2C3O4)C)C)C)C","WFKXCGWVYJNIRE-XGLLRKHSSA-N",16099442,NA,"PDBC32455","734917","Present",NA,NA
+"32456","Brilliant Cresyl Blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brilliant Cresyl Blue",NA,"CCN(CC)C1=CC2=C(C=C1C)N=C3C(=CC(=CC3=N)N)O2.Cl","FOTVOYDDINMVOK-UHFFFAOYSA-N",24181324,NA,"PDBC32456","7813","Present",NA,NA
+"32457","Brilliant Orange",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"orange rn",NA,"C1=CC=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O.[Na+]","YOCIQNIEQYCORH-UHFFFAOYSA-N",135436512,NA,"PDBC32457","7831","Present",NA,NA
+"32458","Bristol A-649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC38270///NSC76411",NA,"CC1C(C(CC(O1)OC2C(CC3=CC4=CC(=CC(=C4C(=C3C2=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC)O)OC(=O)C)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C(C)C)(C)O)O","WURKLEUBADSHTC-UHFFFAOYSA-N",412232,NA,"PDBC32458","38270///76411","Present",NA,NA
+"32459","Brivudine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brivudine",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)CO)O","ODZBBRURCPAEIQ-OWOJBTEDSA-N",5353599,NA,"PDBC32459","633770","Present",NA,NA
+"32460","Bromazepam platinum(II) dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bromazepam platinum(II) dichloride",NA,NA,NA,NA,NA,"PDBC32460","625506","Present",NA,NA
+"32461","Brominated ATA polymer, bromine content 28.9%",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brominated ATA polymer, bromine content 28.9%",NA,NA,NA,NA,NA,"PDBC32461","625769","Present",NA,NA
+"32462","Bromo(triphenyl)plumbane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bromotriphenyllead(IV)",NA,"C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)(C3=CC=CC=C3)Br","ZJLFYKFRSBDOTE-UHFFFAOYSA-M",285095,NA,"PDBC32462","141819","Present",NA,NA
+"32463","Bromo-tetrakis(2-methylprop-1-enyl)-lambda5-stibane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetra(isobutenyl)antimony bromide",NA,"CC(=C[Sb](C=C(C)C)(C=C(C)C)(C=C(C)C)Br)C","SWCJFCPMPDBIJR-UHFFFAOYSA-M",374020,NA,"PDBC32463","651199","Present",NA,NA
+"32464","Bromo-tris(2-methylprop-1-enyl)-phenyl-lambda5-stibane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tri(isobutenyl)phenylantimony bromide",NA,"CC(=C[Sb](C=C(C)C)(C=C(C)C)(C1=CC=CC=C1)Br)C","CWUZALNRHISSQA-UHFFFAOYSA-M",374021,NA,"PDBC32464","651200","Present",NA,NA
+"32465","Bromochloromethotrexate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bromochloromethotrexate",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Br)C(=O)NC(CCC(=O)O)C(=O)O)Cl","AKDWTVCYSZSYQZ-UHFFFAOYSA-N",418098,NA,"PDBC32465","98579","Present",NA,NA
+"32466","Bromocriptine mesylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bromocriptine methanesulfonate",NA,"CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O","NOJMTMIRQRDZMT-GSPXQYRGSA-N",31100,NA,"PDBC32466","169774","Present",NA,NA
+"32467","Bromodeoxytopsentin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bromodeoxytopsentin",NA,"C1=CC=C2C(=C1)C(=CN2)C(=O)C3=NC=C(N3)C4=CNC5=C4C=CC(=C5)Br","RMAWSNVDVKZXDX-UHFFFAOYSA-N",400452,NA,"PDBC32467","712184","Present",NA,NA
+"32468","Bromotris(1-phenylbutane-1,3-dionato)zirconium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bromotris(1-phenylbutane-1,3-dionato)zirconium(IV)",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Br-].[Zr+4]","DAZWEMWFIFAWAH-UHFFFAOYSA-M",11979326,NA,"PDBC32468","635897","Present",NA,NA
+"32469","Bruceoside E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bruceoside E",NA,"CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)CC(C)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O","QBIRRDDMFSFVGM-LWPHVLBVSA-N",6712354,NA,"PDBC32469","673353","Present",NA,NA
+"32470","Bruceoside-F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bruceoside-F",NA,"CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C=C(C)C(C)(C)OC(=O)C)(C(C(C5C2(C=C(C1=O)OC6C(C(C(C(O6)CO)O)O)O)C)O)O)C(=O)O","HLVUVKGKEFOUCN-IBRTWIPZSA-N",54604816,NA,"PDBC32470","673354","Present",NA,NA
+"32471","Brucine, dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brucine, dihydro-",NA,"COC1=C(C=C2C(=C1)C34CCN5C3CC6C(C5)CCOC7C6C4N2C(=O)C7)OC","BETNIDISFVHOSJ-UHFFFAOYSA-N",251913,NA,"PDBC32471","72917","Present",NA,NA
+"32472","Brucinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC121865",NA,"COC1=C(C=C2C(=C1)C34CCN5C3CC6C(C4N2)C(OCC=C6C5)CC(=O)O)OC","RJTMEFDVTNQHTN-UHFFFAOYSA-N",275193,NA,"PDBC32472","121865","Present",NA,NA
+"32473","Bryodulcosigenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bryodulcosigenin",NA,"CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(=O)C3(C2CC=C4C3CCC(C4(C)C)O)C)C)C","FPMQKXQOBKDVHF-DJHQPCGUSA-N",399493,NA,"PDBC32473","710352","Present",NA,NA
+"32474","Bryodulcosigenin-3-O-alpha-L-rhamnopyranosyl-(1.fwdarw.2)-beta-D-glucopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bryodulcosigenin-3-O-.alpha.-L-rhamnopyranosyl-(1.fwdarw...",NA,"CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CCC6C(C)CCC(C(C)(C)O)O)C)C)C)C3(C)C)CO)O)O)O)O)O","BQYXEGPEDSNOPN-DNNUCUTBSA-N",399495,NA,"PDBC32474","710354","Present",NA,NA
+"32475","Bryodulcosigenin-3-O-beta-D-glucopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cabenoside D",NA,"CC(CCC(C(C)(C)O)O)C1CCC2(C1(CC(=O)C3(C2CC=C4C3CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)C","XMWIWVZEGGOMAU-LLTPEREOSA-N",399494,NA,"PDBC32475","710353","Present",NA,NA
+"32476","Bryonolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bryonolic acid",NA,"CC1(C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C","BHVJSLPLFOAMEV-JWUDUDGSSA-N",6712218,NA,"PDBC32476","660308","Present",NA,NA
+"32477","Buddledin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"buddledin c",NA,"CC1=CCCC(=C)C2CC(C2CC1=O)(C)C","KXSUIPOSVGSLQP-PGJRDNSLSA-N",5352042,NA,"PDBC32477","314035","Present",NA,NA
+"32478","Budmunchiamine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Budmunchiamine A",NA,"CCCCCCCCCCCC1CC(=O)NCCCN(CCCCN(CCCN1C)C)C","HQMOQVLQJSZUTH-UHFFFAOYSA-N",373662,NA,"PDBC32478","650436","Present",NA,NA
+"32479","Buellolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BUELLOLIDE",NA,"CC1=C(C(=C(C(=C1Cl)OC)Cl)OC)OC2=CC(=C(C3=C2C(=O)OC3)Cl)OC","OXWGVBMJMQGGEG-UHFFFAOYSA-N",337850,NA,"PDBC32479","357680","Present",NA,NA
+"32480","Bulbophyllanthrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bulbophyllanthrone",NA,"COC1=CC2=C(C=C1)C3=C(C(=C(C=C3C(=O)C2=O)O)OC)OC","SBNXJQQXIIRHIX-UHFFFAOYSA-N",398641,NA,"PDBC32480","708791","Present",NA,NA
+"32481","Bullatacinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bullatacinone",NA,"CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC3CC(C(=O)O3)CC(=O)C)O)O","KGGVWMAPBXIMEM-YPSBWLOUSA-N",5459112,NA,"PDBC32481","620595","Present",NA,NA
+"32482","Bullatalicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bullatalicin",NA,"CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O","HKMBLJVHVBJAIH-VCWFTESGSA-N",5459162,NA,"PDBC32482","634802","Present",NA,NA
+"32483","Bulleyanin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bulleyanin",NA,"CC(=O)OC1CC2C(C(CC(C2(C3C14CC(C(C3OC(=O)C)O)C(=C)C4=O)C)OC(=O)C)OC(=O)C)(C)C","UHAGZLPOLNCLEQ-IOEDPWSVSA-N",338942,NA,"PDBC32483","363787","Present",NA,NA
+"32484","Bunamidine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"buban",NA,"CCCCCCOC1=CC=C(C2=CC=CC=C21)C(=N)N(CCCC)CCCC.Cl","PBYJDHRFPFHVKZ-UHFFFAOYSA-N",13985,NA,"PDBC32484","106571","Present",NA,NA
+"32485","Bunton's purine diazohydroxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bunton's purine diazohydroxide",NA,"CCCN1C=NC2=C(N=CN=C21)NN=O.[Na+]","SNHWYKUFFBNREM-UHFFFAOYSA-N",54611287,NA,"PDBC32485","674990","Present",NA,NA
+"32486","Buphanidrine perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BUPHANIDRINE, PERCHLORATE",NA,"COC1CC2C3(CCN2CC4=C(C5=C(C=C43)OCO5)OC)C=C1.OCl(=O)(=O)=O","CUHGXHKFDGKIBC-UHFFFAOYSA-N",457798,NA,"PDBC32486","7519","Present",NA,NA
+"32487","Bupicomide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bupicomide(usan)",NA,"CCCCC1=CN=C(C=C1)C(=O)N","VKSPIPWLHGKJQO-UHFFFAOYSA-N",31447,NA,"PDBC32487","329138","Present",NA,NA
+"32488","Bupropion hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bupropion Hydrochloride",NA,"CC(C(=O)C1=CC(=CC=C1)Cl)NC(C)(C)C.Cl","HEYVINCGKDONRU-UHFFFAOYSA-N",62884,NA,"PDBC32488","315851","Present",NA,NA
+"32489","But-2-enedioic acid, ethyl ester, 2-nitro-vinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O1-ethyl O4-[(E)-2-nitrovinyl] (E)-but-2-enedioate",NA,"CCOC(=O)C=CC(=O)OC=C[N+](=O)[O-]","ZVPAYRLMKLPZST-VNKDHWASSA-N",5470339,NA,"PDBC32489","699785","Present",NA,NA
+"32490","But-2-yne-1,4-diyl bis(4-methylbenzenesulfonate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37518",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCC#CCOS(=O)(=O)C2=CC=C(C=C2)C","HEVZUSWEUOIBHD-UHFFFAOYSA-N",235783,NA,"PDBC32490","37518","Present",NA,NA
+"32491","But-2-ynyl 2-acetoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetylsalicylic acid-1-(2-butinyl)-ester",NA,"CC#CCOC(=O)C1=CC=CC=C1OC(=O)C","PAQABXKMCYMUHM-UHFFFAOYSA-N",390925,NA,"PDBC32491","689146","Present",NA,NA
+"32492","But-3-ynyl 2-acetoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetylsalicylic acid-1-(3-butinyl)-ester",NA,"CC(=O)OC1=CC=CC=C1C(=O)OCCC#C","LZRRKPQJQJHPOM-UHFFFAOYSA-N",390926,NA,"PDBC32492","689147","Present",NA,NA
+"32493","Butane,4-bis[(6-[1-(3,4,5-trimethoxyphenyl) ethyl]-1,3-benzodioxol-5-yl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butane,1,4-bis[(6-[1-(3,4,5-trimethoxyphenyl) ethyl]-1,3...",NA,"CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCCCOC4=CC5=C(C=C4C(C)C6=CC(=C(C(=C6)OC)OC)OC)OCO5)OCO3","RKOAERBZYROYTK-UHFFFAOYSA-N",371643,NA,"PDBC32493","646095","Present",NA,NA
+"32494","Butane-1,4-diamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"putrescine",NA,"C(CCN)CN.Cl","BPHGMWVJJCWDPB-UHFFFAOYSA-N",5351466,NA,"PDBC32494","5861","Present",NA,NA
+"32495","Butane-1,4-diyl bis(3-methylbutane-1-sulfonate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Butanesulfonic acid, 3-methyl-, tetramethylene ester",NA,"CC(C)CCS(=O)(=O)OCCCCOS(=O)(=O)CCC(C)C","KEPYZDUMSFZPSX-UHFFFAOYSA-N",229685,NA,"PDBC32495","23523","Present",NA,NA
+"32496","Butane;1,3-diphenylpropane-1,3-dione;tin(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644906",NA,"CCC[CH2-].CCC[CH2-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Sn+4]","MMJPVTPXDWJYSL-UHFFFAOYSA-N",371026,NA,"PDBC32496","644906","Present",NA,NA
+"32497","Butane;1-phenylbutane-1,3-dione;tin(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644917",NA,"CCC[CH2-].CCC[CH2-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Sn+4]","ZHMNLROGSIKFJM-UHFFFAOYSA-N",371032,NA,"PDBC32497","644917","Present",NA,NA
+"32498","Butane;pentane-2,4-dione;tin(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644909",NA,"CCC[CH2-].CCC[CH2-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Sn+4]","MSTKDWKEUHEQSO-UHFFFAOYSA-N",371028,NA,"PDBC32498","644909","Present",NA,NA
+"32499","Butanedial,5,8a-trimethylspiro[naphthalene-2(1H),2'-oxirane]-1-yl]ethenyl]-, stereoisomer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanedial, 2-[2-[octahydro-5,5,8a-trimethylspiro[naphth...",NA,"CC1(CCCC2(C1CCC3(C2C=CC(CC=O)C=O)CO3)C)C","CPBGTEFMMYPOLT-GWMOMZQKSA-N",5469125,NA,"PDBC32499","683483","Present",NA,NA
+"32500","Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanedioic acid, 2-bromo-3-fluoro-, dimethyl ester",NA,"COC(=O)C(C(C(=O)OC)Br)F","UOQPHRJOTAQHPN-UHFFFAOYSA-N",317895,NA,"PDBC32500","251805","Present",NA,NA
+"32501","Butanedioic acid, [(dimethylarsino)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(Dimethylarsino)-thiomercaptosuccinic acid",NA,"C[As](C)SC(CC(=O)O)C(=O)O","VBROOMHVQIBYCT-UHFFFAOYSA-N",403983,NA,"PDBC32501","719982","Present",NA,NA
+"32502","Butanedioic acid, methylene-, polymer with 2-propenoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Succinic acid, methylene-, polymer with acrylic acid",NA,"C=CC(=O)O.C=C(CC(=O)O)C(=O)O","ABPJHHHWWYDYFZ-UHFFFAOYSA-N",161509,NA,"PDBC32502","146443","Present",NA,NA
+"32503","Butanedioic acid, mono(2-(3,4-bis(4-chlorophenyl)-5-cyano-6-oxo-1(6H)-pyridazinyl)ethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanedioic acid, mono[2-[3,4-bis(4-chlorophenyl)-5-cyan...",NA,"C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)Cl)CCOC(=O)CCC(=O)O)C#N)Cl","AKJTWZYTVPZSDW-UHFFFAOYSA-N",100760,NA,"PDBC32503","362453","Present",NA,NA
+"32504","Butanedioic acid,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl) bis(methylene) ester, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanedioic acid, (tetradecahydro-1,3,5,7-tetraoxo-4,8- ...",NA,"C1=CC2C3C(C1C4C2C(=O)N(C4=O)COC(=O)CCC(=O)O)C5C3C(=O)N(C5=O)COC(=O)CCC(=O)O.[Na+]","NRTFTWNFHLFAOG-UHFFFAOYSA-N",54607906,NA,"PDBC32504","370153","Present",NA,NA
+"32505","Butanedioic acid,3-benzodioxol-5-ylmethylene)-3-methyl-, (2E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanedioic acid, 2-(1,3-benzodioxol-5-ylmethylene)-3-me...",NA,"CC(C(=CC1=CC2=C(C=C1)OCO2)C(=O)O)C(=O)O","WIISKXZMFXNYTA-RUDMXATFSA-N",5387745,NA,"PDBC32505","626629","Present",NA,NA
+"32506","Butanimidoyl chloride, N-[[[(4-fluorophenyl)amino] carbonyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanimidoyl chloride, N-[[[(4-fluorophenyl)amino] carbo...",NA,"CCCC(=NOC(=O)NC1=CC=C(C=C1)F)Cl","OQUACCLBOWIBQX-XNTDXEJSSA-N",5466258,NA,"PDBC32506","682828","Present",NA,NA
+"32507","Butanimidoyl chloride, N-[[[[4-(trifluoromethoxy)phenyl] amino]carbonyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanimidoyl chloride, N-[[[[4-(trifluoromethoxy)phenyl]...",NA,"CCCC(=NOC(=O)NC1=CC=C(C=C1)OC(F)(F)F)Cl","JSPBSPMWHACCLI-VCHYOVAHSA-N",5466270,NA,"PDBC32507","682840","Present",NA,NA
+"32508","Butanoate;cobalt(3+);ethane-1,2-diamine;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cis-Dibutyratobis(ethylendiamine)cobalt(III)perchlorate",NA,"CCCC(=O)[O-].CCCC(=O)[O-].C(CN)N.C(CN)N.[O-]Cl(=O)(=O)=O.[Co+3]","KNNNZGVLZOMLQQ-UHFFFAOYSA-K",24202137,NA,"PDBC32508","630626","Present",NA,NA
+"32509","Butanoic acid, 2,3-dihydroxypropyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Monobutyrin",NA,"CCCC(=O)OCC(CO)O","RIEABXYBQSLTFR-UHFFFAOYSA-N",11188,NA,"PDBC32509","8451","Present",NA,NA
+"32510","Butanoic acid, 2-diazo-3-oxo-, 1,2-ethanediyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanoic acid, 2-diazo-3-oxo-, 1,2-ethanediyl ester",NA,"CC(=O)C(=[N+]=[N-])C(=O)OCCOC(=O)C(=[N+]=[N-])C(=O)C","FWXLBCRSFSGVJA-UHFFFAOYSA-N",379015,NA,"PDBC32510","662779","Present",NA,NA
+"32511","Butanoic acid, 6-[[(aminothioxomethyl)hydrazono]methyl]-3-pyridinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanoic acid, 6-[[(aminothioxomethyl)hydrazone]methyl]-...",NA,"CCCC(=O)OC1=CN=C(C=C1)C=NNC(=S)N","YPVICNQIBKLIMB-MKMNVTDBSA-N",9555301,NA,"PDBC32511","185050","Present",NA,NA
+"32512","Butanoic acid,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-ylidene)-, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanoic acid, 4-hydroxy-4-(2,2,4,4-tetraoxo-1,5,2,4-dio...",NA,"C1COS(=O)(=O)C(=C(CCC(=O)O)O)S(=O)(=O)O1.[Na+]","INYCLMLYFIPQAU-UHFFFAOYSA-N",54598739,NA,"PDBC32512","639616","Present",NA,NA
+"32513","Butein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butein",NA,"C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O","AYMYWHCQALZEGT-ORCRQEGFSA-N",5281222,NA,"PDBC32513","652892","Present",NA,NA
+"32514","Butenedioic acid der.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butenedioic acid, 2,2'-(1,2-ethanediyl)bis[3-aminooxy-, ...",NA,"CCOC(=O)C(=C(CCC(=C(C(=O)OCC)ON)C(=O)OC)C(=O)OC)ON","CEYNALJCYYGZFC-WGDLNXRISA-N",3001010,NA,"PDBC32514","632943","Present",NA,NA
+"32515","Butenolide peroxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butenolide peroxide",NA,"CC1(CC2(C(CC(=O)O2)OO1)C)CCCCCCCCCCC3=CC=CC=C3","LBCVLXZWFGNXOB-GMKZXUHWSA-N",6712220,NA,"PDBC32515","660654","Present",NA,NA
+"32516","Butyl (2Z)-6-methyl-4-oxo-2-(p-tolylsulfonylhydrazono)hept-5-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 6-methyl-2-(((4-methylphenyl)sulfonyl)hydrazono)-4-oxo-5-heptenoate",NA,"CCCCOC(=O)C(=NNS(=O)(=O)C1=CC=C(C=C1)C)CC(=O)C=C(C)C","QINKFUVUPMMWJM-ZZEZOPTASA-N",6062022,NA,"PDBC32516","642612","Present",NA,NA
+"32517","Butyl (4-{[(2,6-dichlorophenyl)amino]sulfonyl}phenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl N-[4-[(2,6-dichlorophenyl)sulfamoyl]phenyl]carbamate",NA,"CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC=C2Cl)Cl","AASAJUFVVCTGFV-UHFFFAOYSA-N",404501,NA,"PDBC32517","720738","Present",NA,NA
+"32518","Butyl 1-(4-(aminosulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 1-(4-(aminosulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,"CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)N","IPFXEXVXQZROPJ-UHFFFAOYSA-N",383580,NA,"PDBC32518","671998","Present",NA,NA
+"32519","Butyl 2,2,2-trifluoro-1-(4-(((6-methoxy-3-pyridazinyl)amino)sulfonyl)anilino)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl N-[1,1,1,3,3,3-hexafluoro-2-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]anilino]propan-2-yl]carbamate",NA,"CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC","DZMSWCNJNHVUKE-UHFFFAOYSA-N",383570,NA,"PDBC32519","671988","Present",NA,NA
+"32520","Butyl 2,2,2-trifluoro-1-(4-((2-pyrimidinylamino)sulfonyl)anilino)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 2,2,2-trifluoro-1-(4-((2-pyrimidinylamino)sulfonyl)anilino)-1-(trifluoromethyl)ethylcarbamate",NA,"CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2","SWWRFFGAPVQRMW-UHFFFAOYSA-N",383571,NA,"PDBC32520","671989","Present",NA,NA
+"32521","Butyl 2,2,2-trifluoro-1-(trifluoromethyl)-1-(3-(trifluoromethyl)anilino)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 2,2,2-trifluoro-1-(trifluoromethyl)-1-(3-(trifluoromethyl)anilino)ethylcarbamate",NA,"CCCCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC(=C1)C(F)(F)F","OEIBAUGUVZBMHC-UHFFFAOYSA-N",383589,NA,"PDBC32521","672007","Present",NA,NA
+"32522","Butyl 2,2-bis(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 2,2-bis(trifluoromethyl)-3,4-dihydropyrimido[1,2-a]pyrimidine-3-carboxylate",NA,"CCCCOC(=O)C1CN2C=CC=NC2=NC1(C(F)(F)F)C(F)(F)F","HUVSEUCDWWSKGF-UHFFFAOYSA-N",389383,NA,"PDBC32522","685431","Present",NA,NA
+"32523","Butyl 2,2-bis(trifluoromethyl)-3,4-dihydropyrimido[2,1-b][1,3]benzothiazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 2,2-bis(trifluoromethyl)-3,4-dihydropyrimido[2,1-b][1,3]benzothiazole-3-carboxylate",NA,"CCCCOC(=O)C1CN2C3=CC=CC=C3SC2=NC1(C(F)(F)F)C(F)(F)F","DLJQUENQOYWJKA-UHFFFAOYSA-N",389384,NA,"PDBC32523","685432","Present",NA,NA
+"32524","Butyl 2-(1,3-dioxoisoindol-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK267874",NA,"CCCCOC(=O)CN1C(=O)C2=CC=CC=C2C1=O","DDCPIBTYPYGETI-UHFFFAOYSA-N",357739,NA,"PDBC32524","617259","Present",NA,NA
+"32525","Butyl 2-[12-[(2-butoxy-2-oxo-ethyl)carbamoyloxy]dodeca-5,7-diynoxycarbonylamino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-oxo-2-butoxyethylcarbamic acid)5,7-dodecadiyne-1,12-diyl ester",NA,"CCCCOC(=O)CNC(=O)OCCCCC#CC#CCCCCOC(=O)NCC(=O)OCCCC","UAAJKZAEABTTGV-UHFFFAOYSA-N",371807,NA,"PDBC32525","646258","Present",NA,NA
+"32526","Butyl 2-[[(2E,8E)-10-[(2-butoxy-2-oxo-ethyl)carbamoyloxy]deca-2,8-dien-4,6-diynoxy]carbonylamino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 2-[[(2E,8E)-10-[(2-butoxy-2-oxoethyl)carbamoyloxy]deca-2,8-dien-4,6-diynoxy]carbonylamino]acetate",NA,"CCCCOC(=O)CNC(=O)OCC=CC#CC#CC=CCOC(=O)NCC(=O)OCCCC","NYIVGZALFOUTHT-PHEQNACWSA-N",5912421,NA,"PDBC32526","646257","Present",NA,NA
+"32527","Butyl 2-[[2-butoxy-1-(3,5-ditert-butyl-4-hydroxy-phenyl)-2-oxo-ethyl]amino]-2-(3,5-ditert-butyl-4-hydroxy-phenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 2-[[2-butoxy-1-(3,5-ditert-butyl-4-hydroxyphenyl)-2-oxoethyl]amino]-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetate",NA,"CCCCOC(=O)C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)NC(C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)C(=O)OCCCC","VFFLBBROOJJIEI-UHFFFAOYSA-N",386883,NA,"PDBC32527","679741","Present",NA,NA
+"32528","Butyl 3-(2-benzoylbutyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 3-(2-benzoylbutyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,"CCCCOC(=O)C(=O)C(CC(CC)C(=O)C1=CC=CC=C1)C(=O)C=C(C)C","DQZGZYQZVCPIBC-UHFFFAOYSA-N",373479,NA,"PDBC32528","649834","Present",NA,NA
+"32529","Butyl 3-(3-furyl)-2-hydroxypropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 3-(3-furyl)-2-hydroxypropanoate",NA,"CCCCOC(=O)C(CC1=COC=C1)O","BFHRADDHIGTZHI-UHFFFAOYSA-N",381475,NA,"PDBC32529","668160","Present",NA,NA
+"32530","Butyl 4-[(chloroacetyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC39575",NA,"CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCl","OAGNXKQRLZIKND-UHFFFAOYSA-N",236731,NA,"PDBC32530","39575","Present",NA,NA
+"32531","Butyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride",NA,"CCCCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C.Cl","LPZQKQWOQBJDOF-VVTVMFAVSA-N",136040162,NA,"PDBC32531","753663","Present",NA,NA
+"32532","Butyl 6-methyl-2,4-dioxo-3-(3-oxo-2,4-diphenylbutyl)-5-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 6-methyl-2,4-dioxo-3-(3-oxo-2,4-diphenylbutyl)-5-heptenoate",NA,"CCCCOC(=O)C(=O)C(CC(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2)C(=O)C=C(C)C","ICLAEGNEUPSKPX-UHFFFAOYSA-N",373462,NA,"PDBC32532","649819","Present",NA,NA
+"32533","Butyl 6-methyl-3-(3-(4-methylphenyl)-3-oxopropyl)-2,4-dioxo-5-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl 6-methyl-3-(3-(4-methylphenyl)-3-oxopropyl)-2,4-dioxo-5-heptenoate",NA,"CCCCOC(=O)C(=O)C(CCC(=O)C1=CC=C(C=C1)C)C(=O)C=C(C)C","MGLKYLQCSLKGCM-UHFFFAOYSA-N",373336,NA,"PDBC32533","649552","Present",NA,NA
+"32534","Butyl N-(1-cyclohexyl-2,4-dioxopyrimidine-5-carbonyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl[(1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]carbamate",NA,"CCCCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2CCCCC2","RTTCWALEYQTCPN-UHFFFAOYSA-N",364813,NA,"PDBC32534","631572","Present",NA,NA
+"32535","Butyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]carbamate",NA,"CCCCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2Cl","QGFHWGCATIGLCD-UHFFFAOYSA-N",404500,NA,"PDBC32535","720737","Present",NA,NA
+"32536","Butyl diethylcarbamo(dithioperoxo)thioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"butyl diethylcarbamo(dithioperoxo)thioate",NA,"CCCCSSC(=S)N(CC)CC","PCMFCEGDFCTXRW-UHFFFAOYSA-N",20400595,NA,"PDBC32536","749796","Present",NA,NA
+"32537","Butyl maleurate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyl maleurate",NA,"CCCCOC(=O)C=CC(=O)NC(=O)N","PMRRCSZAUHOZGW-PLNGDYQASA-N",5355031,NA,"PDBC32537","23994","Present",NA,NA
+"32538","Butylcycloheptylprodiginine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prodiginine hcl, butylcycloheptyl-",NA,"CCCCC1CCCCCCC2=C1C=C(N2)C=C3C(=CC(=N3)C4=CC=CN4)OC.Cl","XHNIOIAAXICRGD-PNNXLEGYSA-N",135539743,NA,"PDBC32538","247562","Present",NA,NA
+"32539","Butylhydrazine oxalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazine, butyl-, oxalate (1:1) (8CI)",NA,"CCCCNN.C(=O)(C(=O)O)O","WXOBLSRQYOWIBF-UHFFFAOYSA-N",162021,NA,"PDBC32539","58184","Present",NA,NA
+"32540","Butyltriphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyltriphenylphosphonium bromide",NA,"CCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","IKWKJIWDLVYZIY-UHFFFAOYSA-M",159628,NA,"PDBC32540","59684","Present",NA,NA
+"32541","Butyrate sodium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sodium butyrate",NA,"CCCC(=O)O.[Na+]","MFBOGIVSZKQAPD-UHFFFAOYSA-N",54611827,NA,"PDBC32541","174280","Present",NA,NA
+"32542","Butyric acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl butanoate",NA,"CCCC(=O)OCC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO","SHABOUXXWAZWRG-NVNXTCNLSA-N",5470616,NA,"PDBC32542","703743","Present",NA,NA
+"32543","Butyric acid, 2-(2-aminopurin-6-ylthio)-3-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyric acid, 2-(2-aminopurin-6-ylthio)-3-methyl-",NA,"CC(C)C(C(=O)O)SC1=NC(=NC2=C1NC=N2)N","UDODMBXWDXHYDZ-UHFFFAOYSA-N",3471218,NA,"PDBC32543","38735","Present",NA,NA
+"32544","Butyric acid, 4-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzamido)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[N-(4-amino-4-deoxy-N10-methylpteroyl)aminobutanoic acid",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCCC(=O)O","LHEGWARMFBUJMD-UHFFFAOYSA-N",393099,NA,"PDBC32544","694484","Present",NA,NA
+"32545","Butyric acid, 4-ethylthio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyric acid, 4-ethylthio-",NA,"CCSCCCC(=O)O","DBNZPPFTPCELJG-UHFFFAOYSA-N",144457,NA,"PDBC32545","84216","Present",NA,NA
+"32546","Butyric acid, rhodium salt (4:2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butyric acid, rhodium salt (4:2)",NA,"CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.[Rh].[Rh]","HMFZFIIUKKSJJD-UHFFFAOYSA-N",432833,NA,"PDBC32546","315626","Present",NA,NA
+"32547","Butyric acid,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamido]methyl]amino]-, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanoic acid, 4-[[[[[4-(dimethylamino)-1,4,4a,5,5a,6,11...",NA,"CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCNCCCC(=O)O)N(C)C)O.[Na+]","JXOFUIDUVDLMLW-FRNUWAIBSA-N",54712665,NA,"PDBC32547","56714","Present",NA,NA
+"32548","Buxamine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Buxamine A",NA,"CC(C1CCC2(C1(CC=C3C2CCC4C(=C3)CCC(C4(C)C)N(C)C)C)C)N(C)C","ZUILVKYUNYJWMV-JTRBZCFYSA-N",5468622,NA,"PDBC32548","672961","Present",NA,NA
+"32549","By-Product of CUDC-305",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"By-Product of CUDC-305",NA,"CC(C)(C)CN1CCN2C3=C(C(=NC=C3)N)N=C2S1","SZWWSJXWTIMEGQ-UHFFFAOYSA-N",155808494,NA,"PDBC32549","761390","Present",NA,NA
+"32550","C 1295",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C 1295",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)C","LRSSABIWZOHLGO-UHFFFAOYSA-N",438564,NA,"PDBC32550","645824","Present",NA,NA
+"32551","C 829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C 829",NA,"CC(CN(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","BOPNKHNWJNHXPR-UHFFFAOYSA-N",21120490,NA,"PDBC32551","295505","Present",NA,NA
+"32552","C(#C)C1=CC=C(C=C1)N1C(=NC2=C(C1=O)C=CC=N2)\C=C\C1=CC2=CC=CC=C2C=C1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-ethynylphenyl)-2-(2-(naphthalen-2-yl)vinyl)pyri...",NA,"C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)C=CC4=CC5=CC=CC=C5C=C4","WPAGGQDJITULGK-FOWTUZBSSA-N",117919589,NA,"PDBC32552","766317","Present",NA,NA
+"32553","C(#C)C1=CC=C(C=C1)N1C(=NC2=C(C1=O)C=CC=N2)\C=C\C1=CC=C(C=C1)C(F)(F)F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-ethynylphenyl)-2-(4-(trifluoromethyl)styryl)pyr...",NA,"C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)C=CC4=CC=C(C=C4)C(F)(F)F","QRWGITYMHYCFOM-NTEUORMPSA-N",117919612,NA,"PDBC32553","766326","Present",NA,NA
+"32554","C(#C)C1=CC=C(C=C1)N1C(=NC2=C(C1=O)C=CC=N2)\C=C\C1=NC2=CC=CC=C2C=C1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-ethynylphenyl)-2-(2-(quinolin-2-yl)vinyl)pyrido...",NA,"C#CC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=CC=N3)C=CC4=NC5=CC=CC=C5C=C4","AWDNKAGGWMOUMA-DTQAZKPQSA-N",117919586,NA,"PDBC32554","766329","Present",NA,NA
+"32555","C(C)(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC1=C(C(=CC=C1\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC)O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-tert-butyl-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimeth...",NA,"CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC","WRCKQEFAYMHENK-HJWRWDBZSA-N",121304395,NA,"PDBC32555","780176","Present",NA,NA
+"32556","C(C)OC1=C(C=CC=C1)C(/C=C/C=1C(NC2=CC=CC=C2C=1)=O)=O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-(2-Ethoxyphenyl)-3-oxoprop-1-enyl)quinoline-2(1...",NA,"CCOC1=CC=CC=C1C(=O)C=CC2=CC3=CC=CC=C3NC2=O","SEISRPMGAKDAMQ-VAWYXSNFSA-N",135339968,NA,"PDBC32556","795902","Present",NA,NA
+"32557","C(C)OC=1N=C(C=C2C(=C(NC(C=12)=O)C=1OC=NN=1)O)C1=CC=CC=C1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Ethoxy-4-hydroxy-3-[1,3,4]oxadiazol-2-yl-6-phenyl-2H-[...",NA,"CCOC1=C2C(=CC(=N1)C3=CC=CC=C3)C(=C(NC2=O)C4=NN=CO4)O","NYDHPPAJJDOUQW-UHFFFAOYSA-N",153937438,NA,"PDBC32557","773102","Present",NA,NA
+"32558","C-4'-Methyl-beta-D-ribofuranosylthymine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C-4'-methyl-.beta.-D-ribofuranosylthymine",NA,"CC1=CN(C(=O)NC1=O)C2C(C(C(O2)(C)CO)O)O","YEINCFMPBYLFKQ-UHFFFAOYSA-N",374108,NA,"PDBC32558","651412","Present",NA,NA
+"32559","C-4'-Methyladenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C-4'-methyladenosine",NA,"CC1(C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)CO","ZYRABNSYSYDHMR-UHFFFAOYSA-N",374109,NA,"PDBC32559","651413","Present",NA,NA
+"32560","C.I. 42510 acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C.I. 42510 acetate",NA,"CC1=CC(=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N)C=CC1=N.CC(=O)O","CSJFDCAABIZPAM-UHFFFAOYSA-N",221117,NA,"PDBC32560","5006","Present",NA,NA
+"32561","C.I. Acid Orange 10, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"orange g",NA,"C1=CC=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","CIGSMIXKOZNUKZ-UHFFFAOYSA-N",135436537,NA,"PDBC32561","10450","Present",NA,NA
+"32562","C.I. Acid Red 73, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC47724///NSC7832",NA,"C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O","PIEQFSVTZMAUJA-UHFFFAOYSA-N",21520,NA,"PDBC32562","47724///7832","Present",NA,NA
+"32563","C.I. Basic Blue 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanaminium, N-[7-(diethylamino)-3H-phenoxazin-3-yliden...",NA,"CCN(CC)C1=CC2=C(C=C1)N=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]","IURGIPVDZKDLIX-UHFFFAOYSA-M",118408,NA,"PDBC32563","367084","Present",NA,NA
+"32564","C.I. Basic Yellow 37, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethylauramine",NA,"CCN(CC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(CC)CC.Cl","LQVYCDPEZPBOMT-UHFFFAOYSA-N",80679,NA,"PDBC32564","33461","Present",NA,NA
+"32565","C.I. Direct Blue 15",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"direct blue hh",NA,"COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N)O)OC)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O.[Na+]","HFFFZZLUQHJNHP-UHFFFAOYSA-N",135422072,NA,"PDBC32565","9616","Present",NA,NA
+"32566","C.I. Direct Orange 15",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"erie fast orange cg",NA,"C1=CC2=C(C=C(C=C2)N=NC3=CC(=C(C=CC4=C(C=C(C=C4)N=NC5=CC(=C1C=C5)S(=O)(=O)O)S(=O)(=O)O)C=C3)S(=O)(=O)O)S(=O)(=O)O.[Na+]","XXLIEWQNMJLIRL-VWIOHFFRSA-N",54601156,NA,"PDBC32566","7229","Present",NA,NA
+"32567","C.I. Direct Red 75",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sirius pink bb",NA,"C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)O)O)N=NC3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)N=NC5=C(C=CC6=CC(=CC(=C65)O)S(=O)(=O)O)N)S(=O)(=O)O)S(=O)(=O)O)N","PGWPNHMAKPHTMA-UHFFFAOYSA-N",408099,NA,"PDBC32567","11244","Present",NA,NA
+"32568","C.I. Direct blue 53",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"evablin",NA,"CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","WZODLFCLKIXWGA-UHFFFAOYSA-N",135436520,NA,"PDBC32568","8680","Present",NA,NA
+"32569","C.I. Disperse yellow 23",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Hydroxy-p-bis azobenzene",NA,"C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)O","RTZYVAQWQXPIAC-UHFFFAOYSA-N",22623,NA,"PDBC32569","45565","Present",NA,NA
+"32570","C.I. Food Red 6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ponceau 3R",NA,"CC1=CC(=C(C=C1C)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)C.[Na+]","PLSGGFSUOOYOEL-UHFFFAOYSA-N",135436539,NA,"PDBC32570","10461","Present",NA,NA
+"32571","C.I. Solvent Blue 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C.I. Solvent Blue 3",NA,"CC1=C(C=CC(=C1)C(=C2C=CC(=NC3=CC=CC=C3)C=C2)C4=CC=C(C=C4)NC5=CC=CC=C5)N.Cl","KMGIACBASLJNIL-UHFFFAOYSA-N",24181123,NA,"PDBC32571","5013","Present",NA,NA
+"32572","C.I. Vat Green 9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"navinon black bb",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C3=CC=C4C5=CC=C6C7=C(C=CC(=C57)C8=C4C3=C2C=C8)C9=C(C6=O)C=C(C=C9)[N+](=O)[O-]","KDVDMQVITMTCAH-UHFFFAOYSA-N",80733,NA,"PDBC32572","51535","Present",NA,NA
+"32573","C10H5Cl3N2O3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C10H5Cl3N2O3",NA,"C1=CC=C2C(=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])O2","REFFNUIWWSTIBH-CSKARUKUSA-N",5405138,NA,"PDBC32573","665106","Present",NA,NA
+"32574","C10H6Cl4N2O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C10H6Cl4N2O2",NA,"C1=CC=C(C=C1)NC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","DLDPTVLHFVQPFO-NTMALXAHSA-N",3004946,NA,"PDBC32574","665086","Present",NA,NA
+"32575","C10H8ClF3N2O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672054",NA,"CC(=NOC(=O)NC1=CC=CC=C1C(F)(F)F)Cl","QUDUBSLQGMYHHT-OMCISZLKSA-N",5466027,NA,"PDBC32575","672054","Present",NA,NA
+"32576","C10H9Cl2FN2O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672040",NA,"CCC(=NOC(=O)NC1=CC(=C(C=C1)F)Cl)Cl","NQAHAHFDPBDUNI-OQLLNIDSSA-N",5466016,NA,"PDBC32576","672040","Present",NA,NA
+"32577","C10H9ClFN3O4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanone, 1-chloro-, O-[[(4-fluoro-3-nitrophenyl) ami...",NA,"CCC(=NOC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])Cl","DAJABQXEJOLMQY-NTEUORMPSA-N",5494376,NA,"PDBC32577","693882","Present",NA,NA
+"32578","C11H10ClF6N3O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C11H10ClF6N3O2",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=C(C=C1)Cl","KKPUCHCTZQIYGK-UHFFFAOYSA-N",383574,NA,"PDBC32578","671992","Present",NA,NA
+"32579","C11H13F6N3O3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C11H13F6N3O3",NA,"CCOC1=NC(N=C(O1)N2CCOCC2)(C(F)(F)F)C(F)(F)F","IWJIUZXHKYNDEZ-UHFFFAOYSA-N",383683,NA,"PDBC32579","672101","Present",NA,NA
+"32580","C12H10ClF4NO3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C12H10ClF4NO3",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=C(C=C1)F)Cl","BTAZHJGXFSQBBF-UHFFFAOYSA-N",389147,NA,"PDBC32580","684831","Present",NA,NA
+"32581","C12H15F6N3O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C12H15F6N3O2",NA,"CCOC1=NC(N=C(O1)N2CCCCC2)(C(F)(F)F)C(F)(F)F","NKVGLZDTICEXAA-UHFFFAOYSA-N",383594,NA,"PDBC32581","672012","Present",NA,NA
+"32582","C12H16F3N3O4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C12H16F3N3O4",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NOC(=C1)C","SZKHGLQOYFICIL-UHFFFAOYSA-N",383674,NA,"PDBC32582","672092","Present",NA,NA
+"32583","C12H19N7O4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C12H19N7O4",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N=NN(C)C)CC(CO)O","ZFIGJLVPWKXGGB-CCEZHUSRSA-N",5469137,NA,"PDBC32583","683604","Present",NA,NA
+"32584","C12H6ClF8NO3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C12H6ClF8NO3",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)C1=C(C(=C(C(=C1F)F)F)F)F)Cl","YRMNVTUWZMPAIT-UHFFFAOYSA-N",389139,NA,"PDBC32584","684824","Present",NA,NA
+"32585","C12H6N6O4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C12H6N6O4",NA,"C1=CC(=CC=C1N2N=C3C=CC4=[N+](ON=C4C3=N2)[O-])[N+](=O)[O-]","UPAMUXWAWYUUJZ-UHFFFAOYSA-N",382096,NA,"PDBC32585","669455","Present",NA,NA
+"32586","C12H9F12N3O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C12H9F12N3O2",NA,"C1COCCN1C2=NC(N=C(O2)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F","BSPNIFNLIXMQIQ-UHFFFAOYSA-N",383682,NA,"PDBC32586","672100","Present",NA,NA
+"32587","C12H9N7O8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C12H9N7O8",NA,"C1CC(C2=NN(N=C2C1([N+](=O)[O-])[N+](=O)[O-])C3=CC=CC=C3)([N+](=O)[O-])[N+](=O)[O-]","KGCOFTBOJHNAME-UHFFFAOYSA-N",379400,NA,"PDBC32587","663942","Present",NA,NA
+"32588","C13H13ClF6N2O3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C13H13ClF6N2O3",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C=CC(=C1)Cl)OC","UKSPRGNYLGUYSA-UHFFFAOYSA-N",383567,NA,"PDBC32588","671985","Present",NA,NA
+"32589","C13H17BrN4O3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C13H17BrN4O3",NA,"CC(=O)CCCCN1C(=O)C2=C(N=C(N2C)Br)N(C1=O)C","FUOVLWFMUJGYNB-UHFFFAOYSA-N",386044,NA,"PDBC32589","677610","Present",NA,NA
+"32590","C14951",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C14951",NA,"C1=CC=C(C(=C1)C=NC2=CC3=C(C=C2)C4=CC=CC=C4C(=O)O3)Cl","ZKALLZGPPRUEMZ-UHFFFAOYSA-N",249677,NA,"PDBC32590","68249","Present",NA,NA
+"32591","C14965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C14965",NA,"CS(=O)(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C(=O)O2","QCUCGCOGDWOQNC-UHFFFAOYSA-N",248621,NA,"PDBC32591","65938","Present",NA,NA
+"32592","C14992",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C14992",NA,"CC(=O)OC1=CC2=CCC3C4CCC(=O)C4(CC(=O)C3(C2(CC1)C)S)C","AQIYOMKPFQCODB-NHUSPQTBSA-N",240982,NA,"PDBC32592","48010","Present",NA,NA
+"32593","C14H13Cl3N2O3S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C14H13Cl3N2O3S",NA,"C1COCCN1C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","PDUJPJAFFIKCSE-WYMLVPIESA-N",1617553,NA,"PDBC32593","673151","Present",NA,NA
+"32594","C14H20BrCl2N3O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673155",NA,"C1CCN(CC1)C(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])N2CCCCC2","SZCPOCVBTOVBKE-ACCUITESSA-N",1617554,NA,"PDBC32594","673155","Present",NA,NA
+"32595","C14H20Cl3N3O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C14H20Cl3N3O2",NA,"C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2CCCCC2","LMONVEOEQYURAX-UHFFFAOYSA-N",379892,NA,"PDBC32595","665084","Present",NA,NA
+"32596","C14H9BrN2OS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C14H9BrN2OS",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)C3=CC=C(C=C3)Br","QKAYVYBXACWVEN-UHFFFAOYSA-N",767296,NA,"PDBC32596","639729","Present",NA,NA
+"32597","C15014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C15014",NA,"CC12CCC3C(C1CC(=NO)C2=O)CCC4=C3C=CC(=C4)OCC=C","YEDFYMKASYROKP-BODGLHNHSA-N",9561873,NA,"PDBC32597","82489","Present",NA,NA
+"32598","C15162",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C15162",NA,"CCC1=C(C(OC2=C1C=CC(=C2CN3CCCC3)O)(C)C)C4=CC=C(C=C4)OC","SBRIHEHOOSDSDU-UHFFFAOYSA-N",257434,NA,"PDBC32598","85450","Present",NA,NA
+"32599","C15H12N2O3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C15H12N2O3",NA,"CC1=C(ON=C1C)NC2=CC(=O)C(=O)C3=CC=CC=C32","VNVKTYUMZHBALO-UHFFFAOYSA-N",133732,NA,"PDBC32599","673787","Present",NA,NA
+"32600","C15H21N3S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C15H21N3S",NA,"C=CCN1C(=NNC1=S)C23CC4CC(C2)CC(C4)C3","OHBBEMCCNREWPO-UHFFFAOYSA-N",2919324,NA,"PDBC32600","665950","Present",NA,NA
+"32601","C15H9Br2N3O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C15H9Br2N3O2",NA,"C1=CC=NC(=C1)NC(=O)C2=CC3=CC(=CC(=C3OC2=N)Br)Br","IGBZSXLHZZLNDS-UHFFFAOYSA-N",395959,NA,"PDBC32601","701083","Present",NA,NA
+"32602","C16-AMS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C16-AMS",NA,"CCCCCCCCCCCCCCCC(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O","ISYQHZMNRMKGOH-VJUOEERUSA-N",155813854,NA,"PDBC32602","789871","Present",NA,NA
+"32603","C16H17F6NO3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C16H17F6NO3",NA,"CCC1(COC1)COC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=CC=C2","AKFTVGCBIPTMHH-UHFFFAOYSA-N",383661,NA,"PDBC32603","672079","Present",NA,NA
+"32604","C16H18F6N2O3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C16H18F6N2O3",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NCC1=CC(=CC=C1)C(F)(F)F","IYWPSMCNQLMKKH-UHFFFAOYSA-N",389135,NA,"PDBC32604","684820","Present",NA,NA
+"32605","C16H18N6O2S3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C16H18N6O2S3",NA,"CC1=CC(=NN1C(=O)CSC2=NN=C(S2)SCC(=O)N3C(=CC(=N3)C)C)C","MBFWVUNREPVRJW-UHFFFAOYSA-N",396455,NA,"PDBC32605","702428","Present",NA,NA
+"32606","C17H11N3S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C17H11N3S",NA,"CN1C2=CC=CC=C2N3C1=C(C(=S)C4=CC=CC=C43)C#N","HKUHHLUMELAXPT-UHFFFAOYSA-N",392510,NA,"PDBC32606","693027","Present",NA,NA
+"32607","C17H18ClNO3S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C17H18ClNO3S",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)CCl","MQUQNUAYKLCRME-UHFFFAOYSA-N",9824,NA,"PDBC32607","89167","Present",NA,NA
+"32608","C17H26F3N3O4S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C17H26F3N3O4S",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)N(C1CCCCC1)C2=NCC(S2)C)OC","RBVQLKSRTDJHBW-UHFFFAOYSA-N",401441,NA,"PDBC32608","715101","Present",NA,NA
+"32609","C17H8N2O2S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C17H8N2O2S",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC4=NC5=CC=CC=C5N34","LJPYJTSXEVAGSB-UHFFFAOYSA-N",380630,NA,"PDBC32609","666305","Present",NA,NA
+"32610","C18H19ClN2O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C18H19ClN2O",NA,"COC1=CC=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3.Cl","QMJGOWGNDWTVIH-UHFFFAOYSA-N",198915,NA,"PDBC32610","628013","Present",NA,NA
+"32611","C18H26N6O2S3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C18H26N6O2S3",NA,"C1CCC(=NNC(=O)CSC2=NN=C(S2)SCC(=O)NN=C3CCCCC3)CC1","SXPGVKFECHJASN-UHFFFAOYSA-N",396454,NA,"PDBC32611","702427","Present",NA,NA
+"32612","C18H33NO4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C18H33NO4",NA,"CC1(C2CCC1(C(C2)NC(=O)CCOCCOCCOC)C)C","ZSWXTNGZQGBTQX-UHFFFAOYSA-N",379927,NA,"PDBC32612","665119","Present",NA,NA
+"32613","C19H23F3N4O6S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C19H23F3N4O6S",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C","QNLREGMUIGZUPP-UHFFFAOYSA-N",384763,NA,"PDBC32613","675199","Present",NA,NA
+"32614","C19H33Cl2NS2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C19H33Cl2NS2",NA,"CCCCCCCCCCNCCSSCC1=CC=C(C=C1)Cl.Cl","JQHUAYXPNPTQRO-UHFFFAOYSA-N",361263,NA,"PDBC32614","624206","Present",NA,NA
+"32615","C1=CC=C2C(N=C3C=CC(=CN33)Br)=C3C(=O)C(=O)C2=C1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-bromo-naphtho[1',2':4,5]-imidazo[1,2-a]pyridine-5,6-dione",NA,"C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=C(C=CC4=N3)Br","UQXHMDDSVSOYHR-UHFFFAOYSA-N",19610873,NA,"PDBC32615","795138","Present",NA,NA
+"32616","C2 Carbonyl plus ester, prodigiosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C2 carbonyl plus ester, prodigiosine",NA,"CC1=C(NC(=C1C(=O)CCC(=O)OC)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","ZWFPCOUWWCVGRD-HVHKRRFMSA-N",135540843,NA,"PDBC32616","742415","Present",NA,NA
+"32617","C20H12Br2O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C20H12Br2O2",NA,"C1=CC2=C(C=CC(=C2C3=C(C=CC4=C3C=CC(=C4)Br)O)O)C=C1Br","OORIFUHRGQKYEV-UHFFFAOYSA-N",222842,NA,"PDBC32617","9772","Present",NA,NA
+"32618","C20H26O8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C20H26O8",NA,"CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)O)OC","YNVNVUVIHRYHDO-UHFFFAOYSA-N",386768,NA,"PDBC32618","679447","Present",NA,NA
+"32619","C21H11BrN2O2S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C21H11BrN2O2S",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CC4=CC=C(C=C4)Br)C#N","UCOFMYNMZBTRCX-OQLLNIDSSA-N",5469259,NA,"PDBC32619","684982","Present",NA,NA
+"32620","C22H12F6O6S2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C22H12F6O6S2",NA,"C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F","OYJLCOSEYYZULE-UHFFFAOYSA-N",389883,NA,"PDBC32620","686511","Present",NA,NA
+"32621","C23H25NO2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C23H25NO2",NA,"CC1=CC2=C(C3=C1OC(C=C3)(C)CCC(C(=C)C)O)NC4=CC=CC=C42","SMFCNLXOVHSDML-UHFFFAOYSA-N",375155,NA,"PDBC32621","654289","Present",NA,NA
+"32622","C26H14FNO",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C26H14FNO",NA,"C1=CC=C2C(=C1)C=CC3=C2C4=C(C(=N3)C5=CC=C(C=C5)F)C(=O)C6=CC=CC=C64","CJBNMIFWXYXNSU-UHFFFAOYSA-N",394735,NA,"PDBC32622","698403","Present",NA,NA
+"32623","C26H14N2O3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C26H14N2O3",NA,"C1=CC=C2C(=C1)C=CC3=C2C4=C(C(=N3)C5=CC=C(C=C5)[N+](=O)[O-])C(=O)C6=CC=CC=C64","PZDRNBJSQBNVRO-UHFFFAOYSA-N",394737,NA,"PDBC32623","698405","Present",NA,NA
+"32624","C26H17BrO8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C26H17BrO8",NA,"COC1=C(C(=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)Br)O","YAMKYELYNHITHA-UHFFFAOYSA-N",54688730,NA,"PDBC32624","707686","Present",NA,NA
+"32625","C27H17BrN2O3S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C27H17BrN2O3S",NA,"C1=CC=C(C=C1)C2=CSC(=N2)C3=C(OC4=C(C3C5=CC=C(C=C5)Br)C(=O)OC6=CC=CC=C64)N","AFILLCXHGDJHDS-UHFFFAOYSA-N",380520,NA,"PDBC32625","666134","Present",NA,NA
+"32626","C28H19Cl2N3O2S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C28H19Cl2N3O2S",NA,"CC1=C(C(=C2C(=C(SC2=N1)C(=O)C3=CC=C(C=C3)Cl)N)C4=CC=CC=C4Cl)C(=O)NC5=CC=CC=C5","PLSNWQNFIZVKLC-UHFFFAOYSA-N",396188,NA,"PDBC32626","701736","Present",NA,NA
+"32627","C28H28BrN3O3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C28H28BrN3O3",NA,"CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5","AHEAUICPFBCZIT-UHFFFAOYSA-N",403089,NA,"PDBC32627","717561","Present",NA,NA
+"32628","C39X5DW67C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C39X5DW67C",NA,"CC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C=C3)OC)OC)O","KWEKJLXMURGVRF-UHFFFAOYSA-N",5382216,NA,"PDBC32628","134765","Present",NA,NA
+"32629","C4 Ester, HCl salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C4 ester, carbonyl adjacent to prodigiosine, HCl salt",NA,"CC1=C(NC(=C1C(=O)CCCCC(=O)OC)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","IJEGNTASCRUHGU-JHMJKTBASA-N",135540853,NA,"PDBC32629","742414","Present",NA,NA
+"32630","C4, Ethyl prodigiosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C4, carbonyl, ethyl prodigiosine",NA,"CCC1=C(C(=CC2=C(C(=C(N2)C)C(=O)CCCCC(=O)OC)C)N=C1C3=CC=CN3)C.Cl","CUINQYKBANIQIE-VSOKSMTPSA-N",135540855,NA,"PDBC32630","742416","Present",NA,NA
+"32631","C5H5N3O4S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C5H5N3O4S",NA,"C(C(=O)O)SC1=NNC(=O)NC1=O","DIALFHUPRSIJKT-UHFFFAOYSA-N",267911,NA,"PDBC32631","107689","Present",NA,NA
+"32632","C6H5Cl3N2O3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C6H5Cl3N2O3",NA,"C1COC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N1","SDLVBNSECJGOHA-GQCTYLIASA-N",3004956,NA,"PDBC32632","665108","Present",NA,NA
+"32633","C6H6N8O2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C6H6N8O2",NA,"C12C(NC3=NON=C3N1)NC4=NON=C4N2","AFEZRHMPPQJNLD-UHFFFAOYSA-N",392971,NA,"PDBC32633","694213","Present",NA,NA
+"32634","C6HCl2NO2S4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C6HCl2NO2S4",NA,"C1(=C(SSC1=O)Cl)NC2=C(SSC2=O)Cl","NWUPBFWMEGIMRD-UHFFFAOYSA-N",402777,NA,"PDBC32634","716984","Present",NA,NA
+"32635","C8, Carbonyl prodigiosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C8, carbonyl prodigiosine",NA,"CC1=C(NC(=C1C(=O)CCCCCCCCC(=O)OC)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","IFDXCSTXUOBXBE-YGCQTIHHSA-N",135540857,NA,"PDBC32635","742417","Present",NA,NA
+"32636","C8H10F3NO4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C8H10F3NO4",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)C=C)O","UKVLQFBMFSYGLS-UHFFFAOYSA-N",389143,NA,"PDBC32636","684828","Present",NA,NA
+"32637","C9H8Br2N4O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C9H8Br2N4O",NA,"CN(C)C=NC1=C(C=C(C2=NON=C12)Br)Br","ZTXGNJINSKGESD-UHFFFAOYSA-N",379416,NA,"PDBC32637","663958","Present",NA,NA
+"32638","CA-1160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CA-1160",NA,"CC1=C(C=C(C=C1)NC2=NC(=O)NC(=O)N2)N","ZLQSJHBUJSFYFF-UHFFFAOYSA-N",389524,NA,"PDBC32638","685815","Present",NA,NA
+"32639","CAA100925",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAA100925",NA,"CCOC1=CC=CC=C1C=C(C#N)C(=O)N","GTVCQYRQARFCIP-YFHOEESVSA-N",5458264,NA,"PDBC32639","134666","Present",NA,NA
+"32640","CAA102427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAA102427",NA,"COC1=CC(=C(C=C1)C=C(C#N)C(=O)N)OC","WPPQGZFEWZSGOX-UITAMQMPSA-N",5458263,NA,"PDBC32640","134664","Present",NA,NA
+"32641","CAA103153",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAA103153",NA,"COC1=C(C=C(C=C1)C=C(C#N)C(=O)N)OC","UHGNGGISEFEZHE-UITAMQMPSA-N",5458265,NA,"PDBC32641","134667","Present",NA,NA
+"32642","CAA103213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAA103213",NA,"COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)O","XGWRIMMSDUGXTL-YWEYNIOJSA-N",720870,NA,"PDBC32642","134672","Present",NA,NA
+"32643","CANDICIDIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC94219",NA,NA,NA,NA,NA,"PDBC32643","94219","Present",NA,NA
+"32644","CAS# 5150-31-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAS# 5150-31-2",NA,"COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC4=C(C=C3)OCO4","BWGOSISPGLXOML-UHFFFAOYSA-N",5384605,NA,"PDBC32644","349011","Present",NA,NA
+"32645","CAS-902261-63-6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAS-902261-63-6",NA,"C1CCNCC1.C1CCN(CC1)CC2=CNC3=C2C(=O)NC=N3","PLVRWVNQTYMHQU-UHFFFAOYSA-N",135403634,NA,"PDBC32645","64337","Present",NA,NA
+"32646","CB-5083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CB-5083",NA,"CC1=CC2=C(C=CC=C2N1C3=NC4=C(COCC4)C(=N3)NCC5=CC=CC=C5)C(=O)N","RDALZZCKQFLGJP-UHFFFAOYSA-N",73051434,NA,"PDBC32646","786100","Present",NA,NA
+"32647","CB-64D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CB-64D",NA,"CN1CCC2(CC1C(=CC3=CC=CC=C3)C(=O)C2)C4=CC(=CC=C4)O","YVMTWTZIAIUURI-VQSNLYSRSA-N",9927617,NA,"PDBC32647","754350","Present",NA,NA
+"32648","CBDivE_001133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_001133",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N=NC2=C(NC3=C2C=C(C=C3)Br)O","KQFHUSASHXEWQP-UHFFFAOYSA-N",3761400,NA,"PDBC32648","649164","Present",NA,NA
+"32649","CBDivE_002367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_002367",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)C3=CC=CC=C3O","FSSFZQBAHGKEQZ-UHFFFAOYSA-N",366687,NA,"PDBC32649","635404","Present",NA,NA
+"32650","CBDivE_004302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_004302",NA,"CCOC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2","MBOSLJJAFXHOQG-UHFFFAOYSA-N",367741,NA,"PDBC32650","637680","Present",NA,NA
+"32651","CBDivE_005484",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_005484",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)N","MOIMPUQANPQHJY-UHFFFAOYSA-N",395945,NA,"PDBC32651","701069","Present",NA,NA
+"32652","CBDivE_005586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_005586",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)C3=CC(=CC(=C3)C(=O)O)C(=O)O","WPNQLRHQPSJNDY-UHFFFAOYSA-N",332281,NA,"PDBC32652","328481","Present",NA,NA
+"32653","CBDivE_006349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_006349",NA,"CN1C(=O)N(C2(C1(C3=CC=CC=C3C2=O)O)O)C","OCRUWUQNJDFMRO-UHFFFAOYSA-N",368004,NA,"PDBC32653","638233","Present",NA,NA
+"32654","CBDivE_006775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_006775",NA,"C1=CC2=C(C=CC3=C2C(=C1)C(=O)N4C3=NC5=C4C=CC(=C5)CC6=CC7=C(C=C6)N8C(=N7)C9=C1C(=C(C=C9)N)C=CC=C1C8=O)N","NIXMYOVVMNDVLE-UHFFFAOYSA-N",389848,NA,"PDBC32654","686480","Present",NA,NA
+"32655","CBDivE_006924",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_006924",NA,"C1=CC=C2C(=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2","NMWNNVAECBLGFO-UHFFFAOYSA-N",3106764,NA,"PDBC32655","665105","Present",NA,NA
+"32656","CBDivE_007004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_007004",NA,"CC1=CC(=NN1C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C(=CC(=N2)C)C)C","LNBNQWBVPSUAHH-UHFFFAOYSA-N",386279,NA,"PDBC32656","678036","Present",NA,NA
+"32657","CBDivE_008237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_008237",NA,"C1=CC(=CC=C1C=NC2=CC=C(C=C2)O)C=NC3=CC=C(C=C3)O","WPKCAAZPBXYJCW-UHFFFAOYSA-N",294858,NA,"PDBC32657","163944","Present",NA,NA
+"32658","CBDivE_008255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_008255",NA,"C1=CC=C2C(=C1)N=C(S2)SCCSC3=NC4=CC=CC=C4S3","SLNISRYXTNUMTF-UHFFFAOYSA-N",302689,NA,"PDBC32658","190382","Present",NA,NA
+"32659","CBDivE_010114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_010114",NA,"C1=CC=C2C(=C1)C3=NN=C(C=C3C2=O)C4=CC=C(C=C4)Cl","JFJICFFERUCIOU-UHFFFAOYSA-N",379339,NA,"PDBC32659","663885","Present",NA,NA
+"32660","CBDivE_010406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_010406",NA,"C1=CC=C2C(=C1)NC(=O)C(=N2)C=C(C(F)F)O","UWMTWXQQGBNZEW-UITAMQMPSA-N",135406220,NA,"PDBC32660","672151","Present",NA,NA
+"32661","CBDivE_010613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_010613",NA,"CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)C","RMFPMCARNSZRLJ-UHFFFAOYSA-N",391242,NA,"PDBC32661","690139","Present",NA,NA
+"32662","CBDivE_012193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_012193",NA,"CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N","WHUVAJFXXFPQAJ-UHFFFAOYSA-N",389570,NA,"PDBC32662","685877","Present",NA,NA
+"32663","CBDivE_012195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_012195",NA,"CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=C(C=C4)N","GGIAHEUYQBDTAI-UHFFFAOYSA-N",389568,NA,"PDBC32663","685875","Present",NA,NA
+"32664","CBDivE_014298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_014298",NA,"CN(C)CCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)Br","BIMDMCJUWJXNSQ-UHFFFAOYSA-N",396126,NA,"PDBC32664","701670","Present",NA,NA
+"32665","CBDivE_014984",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_014984",NA,"C1=CC(=CC=C1C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C(C4=CC=C(C=C4)Cl)O)O)Cl","BZHRXDOBVMVKBT-KBZHBASMSA-N",135489835,NA,"PDBC32665","682583","Present",NA,NA
+"32666","CBDivE_015109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_015109",NA,"C1=CC=C(C=C1)C2=NNC(=C2)C3=CC(=NN3)C4=CC=CC=C4","OPTSFAWNMXRWHT-UHFFFAOYSA-N",388120,NA,"PDBC32666","682585","Present",NA,NA
+"32667","CBDivE_015113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_015113",NA,"C1=CC(=CC=C1C2=NNC(=C2)C3=CC(=NN3)C4=CC=C(C=C4)Cl)Cl","FPHOXKBGWGCBAX-UHFFFAOYSA-N",388121,NA,"PDBC32667","682586","Present",NA,NA
+"32668","CBDivE_015630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_015630",NA,"C1=CC=C2C(=C1)N=C(C(=O)O2)C=C(C3=CC=C(C=C3)[N+](=O)[O-])O","MTCMNOVWMJSGKP-ZROIWOOFSA-N",135473062,NA,"PDBC32668","682570","Present",NA,NA
+"32669","CBDivE_015785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_015785",NA,"CC(C)(C)C1=CC(=NN1)C2=NNC(=C2)C(C)(C)C","WLQYNNUYUHUWEJ-UHFFFAOYSA-N",391128,NA,"PDBC32669","689825","Present",NA,NA
+"32670","CBKinase1_002186",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBKinase1_002186",NA,"C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=CC=C3[N+](=O)[O-]","PYPLLNCCLNXPDB-UHFFFAOYSA-N",366855,NA,"PDBC32670","635834","Present",NA,NA
+"32671","CBL-0137 free base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBL-0137",NA,"CC(C)NCCN1C2=C(C=C(C=C2)C(=O)C)C3=C1C=CC(=C3)C(=O)C","JKCSODVERGVDLT-UHFFFAOYSA-N",44519124,NA,"PDBC32671","789040","Present",NA,NA
+"32672","CBMicro_001647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_001647",NA,"CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)OC(C)C(=O)O","UJGVKTUGTHSXJA-UHFFFAOYSA-N",363670,NA,"PDBC32672","628743","Present",NA,NA
+"32673","CBMicro_003060",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_003060",NA,"C1=CC(=C(C=C1Cl)Cl)OCC2=NC(=S)NN2","OYUKXIGPQQNPDH-UHFFFAOYSA-N",746822,NA,"PDBC32673","634489","Present",NA,NA
+"32674","CBMicro_003366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_003366",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3OC)C(=O)NC4=CC=CC=C4","KJSNQOBRCPFNSJ-UHFFFAOYSA-N",364524,NA,"PDBC32674","630910","Present",NA,NA
+"32675","CBMicro_004985",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_004985",NA,"CC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1","ULEHMWWQIZHLHN-UHFFFAOYSA-N",209395,NA,"PDBC32675","153330","Present",NA,NA
+"32676","CBMicro_005242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_005242",NA,"CCOC(=O)C1=C(NC(=O)NC1C2=C(C=C(C=C2)OC)OC)C","CYXWVPZJHIEGDK-UHFFFAOYSA-N",370616,NA,"PDBC32676","643909","Present",NA,NA
+"32677","CBMicro_005382",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_005382",NA,"COC1=CC=C(C=C1)C(=S)N2CCN(CC2)C3=CC(=CC=C3)Cl","MRZLWMYZXMVHKE-UHFFFAOYSA-N",269707,NA,"PDBC32677","111194","Present",NA,NA
+"32678","CBMicro_006661",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_006661",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCCC2=CC=CC=C2","CZHCDTXIWCBSSU-UHFFFAOYSA-N",367471,NA,"PDBC32678","637203","Present",NA,NA
+"32679","CBMicro_012158",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_012158",NA,"CN1C(=O)C=C(NC1=O)NCCC2=CC=CC=C2","JQGUTCXSMSQWOD-UHFFFAOYSA-N",385872,NA,"PDBC32679","677272","Present",NA,NA
+"32680","CBMicro_014121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_014121",NA,"C1CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CC6=C(C=C5)OCO6)C(=O)C1","KXLPRLARGJJIRQ-UHFFFAOYSA-N",394739,NA,"PDBC32680","698407","Present",NA,NA
+"32681","CBMicro_014156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_014156",NA,"CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NOC(=C1)C","CUTGNEMLXISGIL-UHFFFAOYSA-N",383576,NA,"PDBC32681","671994","Present",NA,NA
+"32682","CBMicro_014371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_014371",NA,"CC1=NC(=C(O1)O)C=C2C(=O)C=CC3=CC=CC=C32","DYJHHQVXGTWGQT-WQLSENKSSA-N",135451145,NA,"PDBC32682","630886","Present",NA,NA
+"32683","CBMicro_014858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_014858",NA,"C1=CC=C(C=C1)C2=CC(=O)C(O2)C3C(=O)NC4=CC=CC=C4N3","VWSXFUINYBNAIR-UHFFFAOYSA-N",389684,NA,"PDBC32683","686139","Present",NA,NA
+"32684","CBMicro_014898",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_014898",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=O)C3=CC=CC=C3N","JJBHGXUOVNZMRV-UHFFFAOYSA-N",388109,NA,"PDBC32684","682574","Present",NA,NA
+"32685","CBMicro_015774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_015774",NA,"CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SC","SQELFMOZMHVIGU-UHFFFAOYSA-N",402655,NA,"PDBC32685","716830","Present",NA,NA
+"32686","CBMicro_016052",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_016052",NA,"CC1(CC2=C(C(C(C(=S)N2)(CC=C)C#N)C3=CC=CC=C3)C(=O)C1)C","GTKXLBOZPDTRNC-UHFFFAOYSA-N",2838147,NA,"PDBC32686","707699","Present",NA,NA
+"32687","CBMicro_016193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_016193",NA,"CCOC(=O)N1CCN(CC1)C(=O)NC2=CC=CC3=CC=CC=C32","ZMPLXBACRCPNKB-UHFFFAOYSA-N",379219,NA,"PDBC32687","663635","Present",NA,NA
+"32688","CBMicro_019032",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_019032",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC(=CC=C1)F","KGMLTQCQTSEXKL-UHFFFAOYSA-N",383560,NA,"PDBC32688","671978","Present",NA,NA
+"32689","CBMicro_019457",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_019457",NA,"CN1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)NC4=CC=CC=C4)N","PNYKDEUPHBQKLO-UHFFFAOYSA-N",391247,NA,"PDBC32689","690144","Present",NA,NA
+"32690","CBMicro_020581",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_020581",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=C(C=C3)N)O","KFRYAJUTOBAFDT-UHFFFAOYSA-N",359736,NA,"PDBC32690","621182","Present",NA,NA
+"32691","CBMicro_021216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_021216",NA,"C1=CC=C(C=C1)NNC2=NNC(=S)N2NC3=CC=CC=C3","ZKROGKDKZNBCDE-UHFFFAOYSA-N",812842,NA,"PDBC32691","707055","Present",NA,NA
+"32692","CBMicro_023136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_023136",NA,"C1CCN(C1)C(=S)N=NC2=C(NC3=CC=CC=C32)O","MKKGVKPJCXSLAG-UHFFFAOYSA-N",381666,NA,"PDBC32692","668494","Present",NA,NA
+"32693","CBMicro_023391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_023391",NA,"CC1=C(C(=NC(=N1)NC2=CC(=CC=C2)OC)NC3=CC(=CC=C3)OC)[N+](=O)[O-]","IZKDSSXDJUOGEM-UHFFFAOYSA-N",403009,NA,"PDBC32693","717482","Present",NA,NA
+"32694","CBMicro_024229",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_024229",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC4=C(C=C(C=C4)O)OC3=O","IKLXGICISXJRPJ-UHFFFAOYSA-N",135455478,NA,"PDBC32694","608068","Present",NA,NA
+"32695","CBMicro_026908",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_026908",NA,"CC1=NC2=C(O1)C3=CC=CC=C3NC2=O","PVKDPHIJTKZPKN-UHFFFAOYSA-N",389386,NA,"PDBC32695","685452","Present",NA,NA
+"32696","CBMicro_027445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_027445",NA,"C1C=CCC(C1C(=O)NC2=CC(=CC=C2)O)C(=O)O","ZWYQUQOTFJTIRZ-UHFFFAOYSA-N",307086,NA,"PDBC32696","204794","Present",NA,NA
+"32697","CBMicro_029217",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_029217",NA,"CC(C1=CC=CC=C1)NC2=CC(=O)N(C(=O)N2)C","URWIDELBYUBXFQ-UHFFFAOYSA-N",496045,NA,"PDBC32697","677270","Present",NA,NA
+"32698","CBMicro_029986",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_029986",NA,"CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)C)C(=O)OCC)C)C","YSDNGJONQCXVPU-UHFFFAOYSA-N",376363,NA,"PDBC32698","657195","Present",NA,NA
+"32699","CBMicro_033716",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_033716",NA,"C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC(=CC=C3)Cl","WOZXXHLZWJDNPP-UHFFFAOYSA-N",366117,NA,"PDBC32699","634404","Present",NA,NA
+"32700","CBMicro_034100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_034100",NA,"CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N","HRTJVCUWYSKTTP-UHFFFAOYSA-N",365337,NA,"PDBC32700","632928","Present",NA,NA
+"32701","CBMicro_037298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_037298",NA,"CC1=C(C(=NN1C2=NC3=CC=CC=C3S2)C)OC4=CC=CC=C4O","RCROWWJZFXZSGB-UHFFFAOYSA-N",2313402,NA,"PDBC32701","746418","Present",NA,NA
+"32702","CBMicro_039934",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_039934",NA,"CC(=O)C1(CC(C(=C1N)C#N)(C#N)C#N)C","UETVOTZHZXZQBS-UHFFFAOYSA-N",387750,NA,"PDBC32702","681779","Present",NA,NA
+"32703","CBMicro_041006",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_041006",NA,"CCOC(=O)CC(C(=O)OCC)NC(=O)C1=C(NC=N1)[N+](=O)[O-]","SWRNPPNDMCHMOG-UHFFFAOYSA-N",135408975,NA,"PDBC32703","651362","Present",NA,NA
+"32704","CBMicro_045675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_045675",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=CSC(=N3)C","GOYGMLRWQGILHI-UHFFFAOYSA-N",389235,NA,"PDBC32704","684988","Present",NA,NA
+"32705","CBMicro_047950",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_047950",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)Cl","GQGVHBJCYBJLKT-UHFFFAOYSA-N",1086986,NA,"PDBC32705","693338","Present",NA,NA
+"32706","CBMicro_048201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_048201",NA,"C1=CC=C(C=C1)N2C(=O)C3C(C4C5=CC=CC=C5C3C6=CC=CC=C46)C(=O)N2","LHPUJOVDVWHOGP-UHFFFAOYSA-N",380638,NA,"PDBC32706","666314","Present",NA,NA
+"32707","CBMicro_048295",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_048295",NA,"CC1=C(C2(CCCCC2)C(=C(N1)SCC(=O)NC3=CC=C(C=C3)Br)C#N)C(=O)NC4=CC=CC=C4","NNMLPEJYMBXXEB-UHFFFAOYSA-N",397585,NA,"PDBC32707","705926","Present",NA,NA
+"32708","CC 9095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC 9095",NA,"CCOC(=O)C(C)NC(=O)N(C)C12CC3CC(C1)CC(C3)C2","BQMZASIEUOBBES-UHFFFAOYSA-N",308222,NA,"PDBC32708","208913","Present",NA,NA
+"32709","CC-671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC-671",NA,"CC1=NC2=C(O1)C=C(C=C2)C3=CNC4=C3C(=NC(=N4)NC5=C(C=C(C=C5)C(=O)NC)OC)OC6CCCC6","CWJLAVRXVFHDSJ-UHFFFAOYSA-N",117881270,NA,"PDBC32709","805746","Present",NA,NA
+"32710","CC-90003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC-90003",NA,"CC1=CC(=C(C=C1)NC2=NC(=NC=C2C(F)(F)F)NC3=CC(=NC=C3C)OC)NC(=O)C=C","ILUKRINUNLAVMH-UHFFFAOYSA-N",90331177,NA,"PDBC32710","808792","Present",NA,NA
+"32711","CCRIS 7542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCRIS 7542",NA,"CCN(CC)CCCNC1=C2C3=C(C=C1)N=C(N3C4=C(C2=O)C=C(C=C4)O)C","QLYLRFLMYPPPSP-UHFFFAOYSA-N",154500,NA,"PDBC32711","647751","Present",NA,NA
+"32712","CCT-241533",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCT-241533",NA,"CC(C)(C1CNCC1NC2=NC(=NC3=CC(=C(C=C32)OC)OC)C4=C(C=CC(=C4)F)O)O","HZASIAXCPXTISQ-NVXWUHKLSA-N",135564841,NA,"PDBC32712","776821","Present",NA,NA
+"32713","CCT-245737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCT-245737",NA,"C1COC(CN1)CNC2=CC(=NC=C2C(F)(F)F)NC3=NC=C(N=C3)C#N","YBYYWUUUGCNAHQ-LLVKDONJSA-N",72165232,NA,"PDBC32713","793726","Present",NA,NA
+"32714","CCT-251545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCT-251545",NA,"CN1C=C(C=N1)C2=CC=C(C=C2)C3=CN=CC(=C3N4CCC5(CCNC5=O)CC4)Cl","LBFYQISQYCGDDW-UHFFFAOYSA-N",77050682,NA,"PDBC32714","784591","Present",NA,NA
+"32715","CCT-251921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCT-251921",NA,"CN1C2=C(C=C(C=C2)C3=CN=C(C(=C3N4CCC5(CCNC5=O)CC4)Cl)N)C=N1","VPJXPDLMACOGIZ-UHFFFAOYSA-N",74222277,NA,"PDBC32715","793727","Present",NA,NA
+"32716","CCT-271850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCT-271850",NA,"CC(C(C)(C)C)NC1=NC=CC2=CN=C(N=C21)NC3=C(C=C(C=C3)C4=CN(N=C4)C)OC","XTJZKALDRPVFSN-HNNXBMFYSA-N",73386882,NA,"PDBC32716","789044","Present",NA,NA
+"32717","CCc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Br)c4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756110",NA,"CCC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=CC=C4)Br","TVRQIJHUBFBZDM-UHFFFAOYSA-N",118715256,NA,"PDBC32717","756110","Present",NA,NA
+"32718","CCc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Cl)c4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756111",NA,"CCC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=CC=C4)Cl","DGRGEYSAUCFBTB-UHFFFAOYSA-N",118715257,NA,"PDBC32718","756111","Present",NA,NA
+"32719","CD-1505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CD-1505",NA,"C1=CC(=O)NC(=C1)C2=CC=CC(=O)N2","POJMWJLYXGXUNU-UHFFFAOYSA-N",363601,NA,"PDBC32719","628596","Present",NA,NA
+"32720","CDDO-Im",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CDDO-Im",NA,"CC1(CCC2(CCC3(C(C2C1)C(=O)C=C4C3(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)C)C(=O)N6C=CN=C6)C","ITFBYYCNYVFPKD-FMIDTUQUSA-N",9958995,NA,"PDBC32720","727038","Present",NA,NA
+"32721","CDPI-trimer methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CDPI-trimer methyl ester",NA,"COC(=O)C1=CC2=C(N1)C=CC3=C2CCN3C(=O)C4=CC5=C(N4)C=CC6=C5CCN6C(=O)C7=CC8=C(N7)C=CC9=C8CCN9C(=O)N","VLRLXYPQDGAEDH-UHFFFAOYSA-N",356692,NA,"PDBC32721","613575","Present",NA,NA
+"32722","CDUWGXAMCSADHI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CDUWGXAMCSADHI-UHFFFAOYSA-N",NA,"COC1=C(C(=C2C(=C1)CCCNC2=O)OC)OC","CDUWGXAMCSADHI-UHFFFAOYSA-N",359094,NA,"PDBC32722","619619","Present",NA,NA
+"32723","CEP-14083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CEP-14083",NA,"CCN1C(=O)CCCC2=C1C=CC(=C2OC)NC3=NC=C(C(=N3)NC4C5CC(C4C(=O)N)C=C5)Cl","GLGNXYJARSMNGJ-AUZIBOLKSA-N",155813557,NA,"PDBC32723","766824","Present",NA,NA
+"32724","CEP-40783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CEP-40783",NA,"CC(C)N1C=C(C(=O)N(C1=O)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C5C=C(C(=CC5=NC=C4)OC)OC)F","FKCWHHYUMFGOPY-UHFFFAOYSA-N",71576419,NA,"PDBC32724","797770","Present",NA,NA
+"32725","CFG-920",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CFG-920",NA,"CC1=C(C=NC=C1)N2CCN(C2=O)C3=CC(=NC=C3)Cl","ZVIFCOOHWGNPHJ-UHFFFAOYSA-N",49871869,NA,"PDBC32725","787827","Present",NA,NA
+"32726","CFG0931IY0",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CFG0931IY0",NA,"CC1=C(C(=O)C2=C(C1=O)OCCCO2)C","YQLZSRJSXMDSRZ-UHFFFAOYSA-N",341020,NA,"PDBC32726","372390","Present",NA,NA
+"32727","CFHZNSBPDDMPQF-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CFHZNSBPDDMPQF-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C3=C(N2)N4C=CSC4=N3","CFHZNSBPDDMPQF-UHFFFAOYSA-N",367303,NA,"PDBC32727","364634","Present",NA,NA
+"32728","CFI-400945 (free base)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CFI-400945",NA,"CC1CN(CC(O1)C)CC2=CC=C(C=C2)C=CC3=NNC4=C3C=CC(=C4)C5CC56C7=C(C=CC(=C7)OC)NC6=O","DADASRPKWOGKCU-FVTQAUBDSA-N",58486178,NA,"PDBC32728","791966","Present",NA,NA
+"32729","CFQVRXZCCTVTIK-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CFQVRXZCCTVTIK-UHFFFAOYSA-N",NA,"CN1CCC23C4C(C(C=C2C1CC5=C3C(=C(C=C5)OC)O4)I)(OC)OC","CFQVRXZCCTVTIK-UHFFFAOYSA-N",398249,NA,"PDBC32729","707848","Present",NA,NA
+"32730","CG-806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CG-806",NA,"CC1=CN=C(N1)C2=C3C(=C(C=C2)C4=C(C=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)F)CNC3=O","BOLRZWTVMUHQQU-UHFFFAOYSA-N",66981446,NA,"PDBC32730","810717","Present",NA,NA
+"32731","CGNBLWJMIUAMMC-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGNBLWJMIUAMMC-UHFFFAOYSA-N",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])NC2=NC(=NC(=N2)Cl)Cl","CGNBLWJMIUAMMC-UHFFFAOYSA-N",372837,NA,"PDBC32731","648495","Present",NA,NA
+"32732","CGP 57380",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGP 57380",NA,"C1=CC(=CC=C1NC2=C3C(=NC=NC3=NN2)N)F","UQPMANVRZYYQMD-UHFFFAOYSA-N",11644425,NA,"PDBC32732","741567","Present",NA,NA
+"32733","CGP 74514A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGP 74514A",NA,"CCN1C=NC2=C(N=C(N=C21)NC3CCCCC3N)NC4=CC(=CC=C4)Cl","UTBSBSOBZHXMHI-LSDHHAIUSA-N",2794188,NA,"PDBC32733","789777","Present",NA,NA
+"32734","CGS 12066B dimaleate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGS 12066B dimaleate",NA,NA,"CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O","HTEVMLYDEWVIQE-SPIKMXEPSA-N",9915956,NA,"PDBC32734",NA,"Absent",NA,NA
+"32735","CH-7057288",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CH-7057288",NA,"CC1=CC(=CC(=N1)C#CC2=CC3=C(C=C2)C4=C(O3)C(C5=C(C4=O)C=CC(=C5)NS(=O)(=O)C)(C)C)C(=O)NC(C)(C)C","DCGOHGQJHJXBGW-UHFFFAOYSA-N",131839646,NA,"PDBC32735","812052","Present",NA,NA
+"32736","CHEMBL1652424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHEMBL1652424",NA,"CC1=CC(=C2C(=C1)C(=NC(=N2)NC3=NC(=C(C(=O)N3)C)C)C)C","ZQNLHQMVYUYLMK-UHFFFAOYSA-N",135402276,NA,"PDBC32736","791137","Present",NA,NA
+"32737","CHETOMIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHETOMIN",NA,"CN1C(=O)C2(N(C(=O)C1(SS2)CC3=CN(C4=CC=CC=C43)C56CC78C(=O)N(C(C(=O)N7C5NC9=CC=CC=C69)(SS8)CO)C)C)CO","ZRZWBWPDBOVIGQ-UHFFFAOYSA-N",2693,NA,"PDBC32737","289491","Present",NA,NA
+"32738","CHLOROZOTOCIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHLOROZOTOCIN",NA,"C(CCl)N(C(=O)NC(C=O)C(C(C(CO)O)O)O)N=O","MKQWTWSXVILIKJ-UHFFFAOYSA-N",301389,NA,"PDBC32738","178248","Present",NA,NA
+"32739","CID 105031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Artesunate",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C","FIHJKUPKCHIPAT-UHFFFAOYSA-N",105031,NA,"PDBC32739","712571","Present",NA,NA
+"32740","CID 127020967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781493///EC-330",NA,"CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C(C#C)(F)F)O)C5=CC=C(C=C5)C6CC6","OWPPSPZDYGHPAN-GCNJZUOMSA-N",127020967,NA,"PDBC32740","781493///798304","Present",NA,NA
+"32741","CID 127025628",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-difluoro-N-(2-methoxy-5-(4-(3-(4-(methylsulfonyl)pip...",NA,"COC1=C(C=C(C=N1)C2=CC3=C(C=CN=C3C=C2)C#CCN4CCN(CC4)S(=O)(=O)C)NS(=O)(=O)C5=C(C=C(C=C5)F)F","BBRINJUWZRLWKK-UHFFFAOYSA-N",127025628,NA,"PDBC32741","781406","Present",NA,NA
+"32742","CID 135409126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3''-Dithiobis[spiro[1,2,4-triazine-6(1H),9'-[9H]fluoren]-5(4H)-one]",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)SSC5=NNC6(C7=CC=CC=C7C8=CC=CC=C86)C(=O)N5","YPHGNFUZJXVGOR-UHFFFAOYSA-N",135409126,NA,"PDBC32742","658721","Present",NA,NA
+"32743","CID 135409203",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-azidospiro[1,4-dihydro-1,2,4-triazine-6,9'-fluorene]-5-one",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=NN4)N=[N+]=[N-]","GMAPHHUUSLWAEB-UHFFFAOYSA-N",135409203,NA,"PDBC32743","666168","Present",NA,NA
+"32744","CID 155809464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790508",NA,"CC1C2C(C=C3C2(C(CC4C3CCC5C4(CC6=C(C5)N=C7CC8(C(CCC9C8CC(C2(C9=CC3C2(C(C2(O3)CCC(O2)(C)CO)C)O)C)O)CC7=N6)C)C)O)C)OC11CCC(O1)(C)C","NWCLKCODOIVTRK-RZGXCGHNSA-N",155809464,NA,"PDBC32744","790508","Present",NA,NA
+"32745","CID 155810556",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793532",NA,"CN1CC(C2(C13C4C=C(C=CC4NC3=O)Cl)C(=O)N(C(=S)N2)C5=CC(=C(C=C5)F)Cl)C6=CC=C(C=C6)Cl","PADJHGWYQFIELE-RLZKHAGLSA-N",155810556,NA,"PDBC32745","793532","Present",NA,NA
+"32746","CID 155811931",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793530",NA,"CN1CC(C2(C13C4C=C(C=CC4NC3=O)Cl)C(=O)N(C(=S)S2)CC=C)C5=CC(=CC=C5)Cl","YQGLKDNCEVYHBJ-IRTODYPQSA-N",155811931,NA,"PDBC32746","793530","Present",NA,NA
+"32747","CID 155815135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787877",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OCCOCCOCCOCCOCCOCCO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)OP(=O)(O)OCC5C(CC(O5)N6C=C(C(=O)NC6=O)F)OP(=O)(O)OCC7C(CC(O7)N8C=C(C(=O)NC8=O)F)OP(=O)(O)OCC9C(CC(O9)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(CC(O1)N1C=C(C(=O)NC1=O)F)OP(=O)(O)OCC1C(C(C(O1)N1C=CC(=NC1=O)N)O)O","CDBBTQHVVMUBTD-MHAVOLJWSA-N",155815135,NA,"PDBC32747","787877","Present",NA,NA
+"32748","CID 155815603",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798800",NA,"C1CCC(CC1)C(=O)C2C3(C4CCCCC4NC3=O)C5CCCN5C26C7CC(CCC7NC6=O)Cl","OHZLEKCZORHMAF-DBJHHGFNSA-N",155815603,NA,"PDBC32748","798800","Present",NA,NA
+"32749","CID 155926894",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803564",NA,"CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CN=CC(=C3)C#CC4=CN=C(C=C4C#N)N)C(F)(F)F","QJQYGFJLDYLAFF-UHFFFAOYSA-N",155926894,NA,"PDBC32749","803564","Present",NA,NA
+"32750","CID 155926895",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803565",NA,"CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CN=CC(=C3)C#CC4=CN=CC5=C4C=CC=N5)C(F)(F)F","OFYNAGDZPTXZBV-UHFFFAOYSA-N",155926895,NA,"PDBC32750","803565","Present",NA,NA
+"32751","CID 155926900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803677",NA,"CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(C(C)CC)C(=O)NC(C(C)CC)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)CC)C(=O)NC(CC5=CC=CC=C5)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CC6=CC=CC=C6)C(=O)N)NC(=O)C(CCCCN)N","QEYPCFDZHOFVID-XKGVPDTNSA-N",155926900,NA,"PDBC32751","803677","Present",NA,NA
+"32752","CID 155926901",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803676",NA,"CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)N)NC(=O)C(CCC(=O)N)N","IALAVARAWRSENN-QHMUUANFSA-N",155926901,NA,"PDBC32752","803676","Present",NA,NA
+"32753","CID 155927190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803567",NA,"CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=CN=C5)N","IQYCVMBQFNOCOH-UHFFFAOYSA-N",155927190,NA,"PDBC32753","803567","Present",NA,NA
+"32754","CID 155927465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803678",NA,"CCC(C)C(C(=O)NC(CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CC6=CN=CN6)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C(C)C)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C(C)CC)NC(=O)C(C(C)CC)NC(=O)C(CC7=CN=CN7)N","RUKYUQHYFSHJRU-NHYXYZPXSA-N",155927465,NA,"PDBC32754","803678","Present",NA,NA
+"32755","CID 155927612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803572",NA,"C1CC2=C(CC1C#N)C(=NC3=C(C=C4C(=C23)C=NN4)F)C5=C(NN=C5)C(F)(F)F","RBUHYDCTYUXFLT-UHFFFAOYSA-N",155927612,NA,"PDBC32755","803572","Present",NA,NA
+"32756","CID 155927613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803563",NA,"CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CN=CC(=C3)C#CC4=CN=C(C5=C4C=CC=N5)N)C(F)(F)F","XIWHTFJGIGNJFL-UHFFFAOYSA-N",155927613,NA,"PDBC32756","803563","Present",NA,NA
+"32757","CID 155927905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803566",NA,"CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=NC=C5)N","AUOZAVNFIASSIN-UHFFFAOYSA-N",155927905,NA,"PDBC32757","803566","Present",NA,NA
+"32758","CID 224641",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13314",NA,"CC(C)NCCCC(C)NC1=CC(=C(C2=C1N=CC=C2)OC)OC.C(=O)(C(=O)O)O","GYBWDZPQFOLZTD-UHFFFAOYSA-N",224641,NA,"PDBC32758","13314","Present",NA,NA
+"32759","CID 233330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Asperuloside",NA,"CC(=O)OCC1=CC2C3C1C(OC=C3C(=O)O2)OC4C(C(C(C(O4)CO)O)O)O","IBIPGYWNOBGEMH-UHFFFAOYSA-N",233330,NA,"PDBC32759","31760","Present",NA,NA
+"32760","CID 23606588",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766715",NA,"CC(C)CCC(C1=CC=C(C=C1)OC)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O","BKARIVRTTVHMED-UHFFFAOYSA-N",23606588,NA,"PDBC32760","766715","Present",NA,NA
+"32761","CID 23667267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"green s",NA,"CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)[O-])S(=O)(=O)O.[Na+]","WDPIZEKLJKBSOZ-UHFFFAOYSA-N",23667267,NA,"PDBC32761","11237","Present",NA,NA
+"32762","CID 23680575",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium 3-(naphthalen-1-ylsulfonyl)-1,5,2,4-dioxadithiepan-3-ide 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)[C-](S(=O)(=O)O1)S(=O)(=O)C2=CC=CC3=CC=CC=C32.[Na+]","TZSGJJRCWBECDX-UHFFFAOYSA-N",23680575,NA,"PDBC32762","679044","Present",NA,NA
+"32763","CID 23680576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium 3-(naphthalen-2-ylsulfonyl)-1,5,2,4-dioxadithiepan-3-ide 2,2,4,4-tetraoxide",NA,"C1COS(=O)(=O)[C-](S(=O)(=O)O1)S(=O)(=O)C2=CC3=CC=CC=C3C=C2.[Na+]","DUZVATNJXDHLEI-UHFFFAOYSA-N",23680576,NA,"PDBC32763","679050","Present",NA,NA
+"32764","CID 24181751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC11229",NA,"CC1=CC(=O)C(=CC1=NC2=CC(=C(C(=C2)Br)O)Br)C(C)C.[Na+]","ZJYVCZHIEJSHBP-UHFFFAOYSA-N",24181751,NA,"PDBC32764","11229","Present",NA,NA
+"32765","CID 24182329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC15603",NA,"C1(C(O[Sb]OC1C(=O)O)C(=O)O)O.O.O.O.[Na+]","CQSWBTQWGIPIRP-UHFFFAOYSA-N",24182329,NA,"PDBC32765","15603","Present",NA,NA
+"32766","CID 24182331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC15608///Gluconic acid, cyclic antimonate(III), sodium salt",NA,"C(C1C(O[Sb]O1)C(C(C(=O)O)O)O)O.O.[Na+]","XETIDWFADSADOA-UHFFFAOYSA-N",24182331,NA,"PDBC32766","15608///15609","Present",NA,NA
+"32767","CID 24202116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628938",NA,"CSC1=[S+]C2=CC=CC=C2S1.[O-]S(=O)(=O)F","WGGJRQGTCRBMPC-UHFFFAOYSA-M",24202116,NA,"PDBC32767","628938","Present",NA,NA
+"32768","CID 24202175",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Ammoniumtetramminedisulfitocobaltate(III)",NA,"N.N.N.N.N.[O-]S(=O)(=O)S(=O)(=O)[O-].[Co+3]","YQMFCUZEXBFPAI-UHFFFAOYSA-L",24202175,NA,"PDBC32768","631458","Present",NA,NA
+"32769","CID 24202594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC702683",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC.NS(=O)[O-]","QQRHWPZDAHJKKB-UHFFFAOYSA-M",24202594,NA,"PDBC32769","702683","Present",NA,NA
+"32770","CID 250397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chebulagic acid",NA,"C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)O)O)O)O)O)O","HGJXAVROWQLCTP-UHFFFAOYSA-N",250397,NA,"PDBC32770","342674","Present",NA,NA
+"32771","CID 328406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC306822",NA,"CC1=CC=C(C=C1)[Se](=C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)C","GPJIPKPGDSCFPH-UHFFFAOYSA-N",328406,NA,"PDBC32771","306822","Present",NA,NA
+"32772","CID 331313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC322354",NA,"C1C(C(C(C2=C1C(=C3C(=O)C=CC(=O)C3=C2O)O)O)O)O","ZGZWZMZCXRDVGX-ATMGAIRJSA-N",331313,NA,"PDBC32772","322354","Present",NA,NA
+"32773","CID 3324650",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Serpentine",NA,"CC1C2C[N+]3=C(CC2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4","WYTGDNHDOZPMIW-UHFFFAOYSA-O",3324650,NA,"PDBC32773","407301","Present",NA,NA
+"32774","CID 359243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619950///NSC619951",NA,"C1CC2(CC3(C1CCC4(C3)OCCO4)C#N)OCCO2","VNQJDJNLASNTQD-UHFFFAOYSA-N",359243,NA,"PDBC32774","619950///619951","Present",NA,NA
+"32775","CID 359510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620493",NA,"C1CC2(CC3(C1CC4(C3)OCCO4)C#N)OCCO2","GXEJPZLKSIVTHI-NWDGAFQWSA-N",359510,NA,"PDBC32775","620493","Present",NA,NA
+"32776","CID 363713",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628873",NA,"CCC(=C=C)C(C(=O)OC)N(CC)CC.Cl","PGJNCYUMOCLNCA-UHFFFAOYSA-N",363713,NA,"PDBC32776","628873","Present",NA,NA
+"32777","CID 363792",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(methyldispiro[[?]]yl) benzoate",NA,"CC12CCC3(C(=C1CCC24OCCO4)OC(=O)C5=CC=CC=C5)OCCO3","KUDQYNTZJCVUEW-UHFFFAOYSA-N",363792,NA,"PDBC32777","629006","Present",NA,NA
+"32778","CID 371695",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646145",NA,"CC(C1=CC=CC=C1)N2C3(O2)CCC4(C(C3)CCCC45OCCO5)C","XENZARRASDXGFQ-SJRXSQRESA-N",371695,NA,"PDBC32778","646145","Present",NA,NA
+"32779","CID 373634",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ditert-butyldispiro[[?]]",NA,"CC(C)(C)C1CCC2(CC1)C3=C(C4(CCC(CC4)C(C)(C)C)C5=C2NC6=CC=CC=C65)NC7=CC=CC=C73","WBSOIHOIQCWXBR-UHFFFAOYSA-N",373634,NA,"PDBC32779","650354","Present",NA,NA
+"32780","CID 377971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene-1,4-dione, 2-chloro-5,8-dihydroxy- 3-[4-(2-h...",NA,"C1CN(CCN1CCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O.Cl","IDZWXPGOGYUGCH-UHFFFAOYSA-N",377971,NA,"PDBC32780","659648","Present",NA,NA
+"32781","CID 378196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene-1,4-dione, 2-bromo-5,8-dihydroxy- 3-[4-[2-(2...",NA,"C1CN(CCN1CCOCCO)C2=C(C3=C(C(=O)C=CC3=O)C(=C2Br)O)O.Cl","KHCWJSAGGSPDOF-UHFFFAOYSA-N",378196,NA,"PDBC32781","659999","Present",NA,NA
+"32782","CID 380889",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666673",NA,"CCOP(=O)(C=C=C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC)C)OCC","JIHALSHDGNCNII-ZPIHLPPGSA-N",380889,NA,"PDBC32782","666673","Present",NA,NA
+"32783","CID 380890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666674",NA,"CC12CCC3C(C1CCC2=C=CP(=O)(O)O)CCC4=C3C=CC(=C4)OC","PYVQTASVCPATQN-JNOTUFJTSA-N",380890,NA,"PDBC32783","666674","Present",NA,NA
+"32784","CID 382054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Prolinamide, N,N-dimethyl-L-valyl-L-valyl-N-methyl- L-...",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC3=CC=CC=C3)NC(=O)C(C(C)C)N(C)C.Cl","MRJQTLJSMQOFTP-UHFFFAOYSA-N",382054,NA,"PDBC32784","669356","Present",NA,NA
+"32785","CID 382222",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-[?]-1-amino-propyl)phosphonic acid; picric acid",NA,"CCCC[S+](=O)(CCC(N)P(=O)(O)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]","NAJZRVTYCVMJBY-UHFFFAOYSA-N",382222,NA,"PDBC32785","669679","Present",NA,NA
+"32786","CID 382226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669682",NA,"C[S+](=O)(CCC(N)P(=O)(O)O)N.C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]","FRAIUKVYYGZLQR-UHFFFAOYSA-N",382226,NA,"PDBC32786","669682","Present",NA,NA
+"32787","CID 383510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671897",NA,"C1C#CC=CC(C=C=CS1(=O)=O)OC(=O)C2=NC3=CC=CC=C3N=C2","XJUNYBHHLDZXQY-UHFFFAOYSA-N",383510,NA,"PDBC32787","671897","Present",NA,NA
+"32788","CID 384346",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calystegine B2",NA,"C1CC2(C(C(C(C1N2)O)O)O)O","FXFBVZOJVHCEDO-FHKSGDNWSA-N",384346,NA,"PDBC32788","674049","Present",NA,NA
+"32789","CID 384400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[2,3-d]pyrimidin-4-one, 6-[11-(4,4-diphenyl- 1-pip...",NA,"CC1=C(C(=C2C(=N1)N=C(N(C2=O)CCN3CCOCC3)C)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)CCCCCCCCCCN5CCC(CC5)(C6=CC=CC=C6)C7=CC=CC=C7.Cl","WIDGPCWVVLXSRT-UHFFFAOYSA-N",384400,NA,"PDBC32789","674127","Present",NA,NA
+"32790","CID 384886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675561",NA,"CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCC(C25CO5)O)CO)OC(=O)C","YPSVWLQFDWURMS-SQRFMMOFSA-N",384886,NA,"PDBC32790","675561","Present",NA,NA
+"32791","CID 384887",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675562",NA,"CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCC(C25CO5)O)COC(=O)C)OC(=O)C","XWQPBOZEAVXNBB-VDISTOFGSA-N",384887,NA,"PDBC32791","675562","Present",NA,NA
+"32792","CID 384888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675563",NA,"CC1CC(=O)C2(C(C13CC(OC3=O)C4=COC=C4)CCC(C25CO5)OC(=O)C)COC(=O)C","UWRDCNVTKORVMI-UFADYTQUSA-N",384888,NA,"PDBC32792","675563","Present",NA,NA
+"32793","CID 384890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675565",NA,"CC1CC(C2(C(C13CC(OC3=O)C4=COC=C4)CCC(C25CO5)OC(=O)C)COC(=O)C)OC(=O)C","RCVVNRBNRKRZGL-XZSAESIDSA-N",384890,NA,"PDBC32793","675565","Present",NA,NA
+"32794","CID 386231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline-5,8-dione, 7-[(3-hydroxy-3-phenyl-2-propyl)ami...",NA,"CC(C(C1=CC=CC=C1)O)NC2=CC(=O)C3=C(C2=O)N=CC=C3","BOVPOLASCBFBRX-UHFFFAOYSA-N",386231,NA,"PDBC32794","677949","Present",NA,NA
+"32795","CID 386511",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, N-[2-(dimethylamino)ethyl]- 8-met...",NA,"CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC=C3OC)N=C21.Cl","BSZAYAHSZXNOJI-UHFFFAOYSA-N",386511,NA,"PDBC32795","678912","Present",NA,NA
+"32796","CID 386513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, 1-chloro-N-[2-(dimethylamino) eth...",NA,"CN(C)CCNC(=O)C1=CC=C(C2=CC3=CC=CC=C3N=C12)Cl.Cl","LGAWIZSPXLDUOF-UHFFFAOYSA-N",386513,NA,"PDBC32796","678913","Present",NA,NA
+"32797","CID 386514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, N-[2-(dimethylamino)ethyl]- 1-met...",NA,"CN(C)CCNC(=O)C1=CC=C(C2=CC3=CC=CC=C3N=C12)OC.Cl","RNYRKTWQCNSDBK-UHFFFAOYSA-N",386514,NA,"PDBC32797","678914","Present",NA,NA
+"32798","CID 389920",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686572",NA,"C1CSC2(S1)C3CC(C4=CC=CC=C34)C5(C2Br)SCCS5","FRLOUEROUMPIGM-PBWFPOADSA-N",389920,NA,"PDBC32798","686572","Present",NA,NA
+"32799","CID 392616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Fluorophenyl)methyl-hexadecyl-dimethyl-ammonium chloride",NA,"CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)F.[Cl-]","QOPNBGVTLMPSKY-UHFFFAOYSA-M",392616,NA,"PDBC32799","693172","Present",NA,NA
+"32800","CID 392739",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693544",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)NC.Cl","FYZKJMWKIWOIDW-UHFFFAOYSA-N",392739,NA,"PDBC32800","693544","Present",NA,NA
+"32801","CID 393182",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694670",NA,"COC(=O)N1CC2(CCC3(C=C2)OCCO3)C4=CC=CC=C41","AJTCEWRUBSXUBN-INIZCTEOSA-N",393182,NA,"PDBC32801","694670","Present",NA,NA
+"32802","CID 395621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700370",NA,"CC1CC(OC(C1=C)CC2C(C(C3C(O2)CC4C(O3)CC5(O4)CC6C(O5)C(CC7(O6)CC(C8C(O7)CC9C(O8)CC(O9)C(CO)O)C)C)C)O)CCC1C(=C)CC(O1)CCC12CC3C(O1)C1C(O3)C(O2)C2C(O1)CCC(O2)CC(=O)OC","LATWLUNXHCRJAD-OSUXSWCVSA-N",395621,NA,"PDBC32802","700370","Present",NA,NA
+"32803","CID 398332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC708052",NA,"CN1CCC2=C3C1CC4=C(C3=CC(=C2)N)C(=C(C=C4)O)O","MJZQRNCUULBFRH-UHFFFAOYSA-N",398332,NA,"PDBC32803","708052","Present",NA,NA
+"32804","CID 399092",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC709508",NA,"C1C=C(C=CC12C3(O2)COC4=CC=CC=C4C3=O)Cl","CRBUDKIYSKYRSV-UHFFFAOYSA-N",399092,NA,"PDBC32804","709508","Present",NA,NA
+"32805","CID 399095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC709511",NA,"COC1=C(C(=CC2(C1)C3(O2)COC4=CC=CC=C4C3=O)OC)OC","VPWNKBLLEAZSJZ-UHFFFAOYSA-N",399095,NA,"PDBC32805","709511","Present",NA,NA
+"32806","CID 400719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"crambescidin 800 trihydrochloride",NA,"CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CC(CCN)O)CCCC(O5)C.Cl.[Cl-]","UAMQJKWLEUINKJ-AFEMADNASA-N",400719,NA,"PDBC32806","713155","Present",NA,NA
+"32807","CID 400725",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC713158",NA,"CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCN)CC(CCN)O)CCCC(O5)C.Cl.[Cl-]","UAMQJKWLEUINKJ-PUQFCTAZSA-N",400725,NA,"PDBC32807","713158","Present",NA,NA
+"32808","CID 400727",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC713159",NA,"CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)O)CCCC(O5)C.[Cl-]","QTJDIRBCSNGXHV-AIPHRTNUSA-N",400727,NA,"PDBC32808","713159","Present",NA,NA
+"32809","CID 401249",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC714462",NA,"CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)OC)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C","IJYOAPGHZWFQRH-CCLJXIRISA-N",401249,NA,"PDBC32809","714462","Present",NA,NA
+"32810","CID 401250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-[(5r,5''r,7r,7''r,10s,10''s,12s,12''s,13r,13''r)-7,7'',12,12''-tetrakis(acetyloxy)-10,10'',13,13''-tetramethyldotriacontahydrodispiro[cyclopenta[a]phenanthrene-3,3'-[1,2,4,5]tetroxane-6',3''-cycl",NA,"CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)O)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C","NCGODAWGXOISMM-OCDOJQNSSA-N",401250,NA,"PDBC32810","714463","Present",NA,NA
+"32811","CID 401251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC714464",NA,"CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)N)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C","HBVUCHMMQPBKJZ-OCDOJQNSSA-N",401251,NA,"PDBC32811","714464","Present",NA,NA
+"32812","CID 401252",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC714465",NA,"CCCNC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC7(C(C6)CC(C8C7CC(C9(C8CCC9C(C)CCC(=O)NCCC)C)OC(=O)C)OC(=O)C)C)OO5)C)OC(=O)C)OC(=O)C)C","XPLSZLAQWYOLBG-ZHWOOPQRSA-N",401252,NA,"PDBC32812","714465","Present",NA,NA
+"32813","CID 401634",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-{1-[(2-hydroxycyclohexylidene)methylidene]pentyl}pyrrolidine-1-carboxylate",NA,"CCCCC(=C=C1CCCCC1O)C2CCCN2C(=O)OC(C)(C)C","XEUXNAJQZBXTMJ-UHFFFAOYSA-N",401634,NA,"PDBC32813","715336","Present",NA,NA
+"32814","CID 402487",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Di(propan-2-yloxy)phosphoryl-4-prop-2-ynylsulfanylbuta-1,2-diene",NA,"CC(C)OP(=O)(C(C=C=C)SCC#C)OC(C)C","ZMVDRCNSCYICSD-UHFFFAOYSA-N",402487,NA,"PDBC32814","716513","Present",NA,NA
+"32815","CID 404151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7.alpha.,12.alpha.-Diacetoxy-5.beta.-cholan-24-oic acid-...",NA,"CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","YRZOFWYSUVSYSR-BEJKWQIXSA-N",404151,NA,"PDBC32815","720291","Present",NA,NA
+"32816","CID 404152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720292",NA,"CC(CCC(=O)N)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","ATTDEYRJQFTXHA-BEJKWQIXSA-N",404152,NA,"PDBC32816","720292","Present",NA,NA
+"32817","CID 404159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720301///NSC720304",NA,"CC1CCC2(CC1)OOC3(CCC4(C(C3)CC(C5C4CC(C6(C5CCC6C(C)CCC(=O)O)C)OC(=O)C)OC(=O)C)C)OO2","WFEQWOQEOCWDMV-ADTQSVSNSA-N",404159,NA,"PDBC32817","720301///720304","Present",NA,NA
+"32818","CID 404160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720302///NSC720305",NA,"CC1CCC2(CC1)OOC3(CCC4(C(C3)CC(C5C4CC(C6(C5CCC6C(C)CCC(=O)N)C)OC(=O)C)OC(=O)C)C)OO2","SFYMERLVGXDHSO-ADTQSVSNSA-N",404160,NA,"PDBC32818","720302///720305","Present",NA,NA
+"32819","CID 404219",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-12.alpha.-acetoxy-5.beta.cholan-24-oate-3-spiro-6...",NA,"CC(CCC(=O)OC)C1CCC2C1(C(CC3C2CCC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)C","YEHJSRMXSFVFQI-ILVCTZPISA-N",404219,NA,"PDBC32819","720386","Present",NA,NA
+"32820","CID 405251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WB64",NA,"C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)CCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.[Br-]","OZJJJMUCGFOEAH-UHFFFAOYSA-M",405251,NA,"PDBC32820","722363","Present",NA,NA
+"32821","CID 431671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HETERATISINE",NA,"CCN1CC2(CCC(C34C2C(C(C31)C5(CCC6CC4C5C(=O)O6)O)O)OC)C","YPSAOPXJHSESSR-UHFFFAOYSA-N",431671,NA,"PDBC32821","295654","Present",NA,NA
+"32822","CID 4424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naloxonazine",NA,"C=CCN1CCC23C4C(=NN=C5CCC6(C7CC8=C9C6(C5OC9=C(C=C8)O)CCN7CC=C)O)CCC2(C1CC1=C3C(=C(C=C1)O)O4)O","AJPSBXJNFJCCBI-UHFFFAOYSA-N",4424,NA,"PDBC32822","612113","Present",NA,NA
+"32823","CID 45281159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Piperidinone, 1-[3-(dimethylamino)-1-oxopropyl]-3,5- b...",NA,"CN(C)CCC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1.Cl","QQQHJEYQZIKRPM-LBQDPBSMSA-N",45281159,NA,"PDBC32823","634784","Present",NA,NA
+"32824","CID 46869957",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-dimethyl-N-(6-(morpholinomethyl)quinolin-2-yl)-1-phe...",NA,"CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)NC3=NC4=C(C=C3)C=C(C=C4)CN5CCOCC5","GMGBZULUUMXUJI-UHFFFAOYSA-N",46869957,NA,"PDBC32824","755092","Present",NA,NA
+"32825","CID 5122350",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,5,6-trimethyl-1,35-benzothiazol-3-yl)propyl hydrogen sulfate",NA,"CC1=CC2=C(C=C1C)SC(=[N+]2CCCOS(=O)(=O)[O-])C","IEMOWXZEHDESAP-UHFFFAOYSA-N",5122350,NA,"PDBC32825","122370","Present",NA,NA
+"32826","CID 52950904",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-N-[(E)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]naphthalene-2-carboxamide",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NN=CC=CC3=CC=C(O3)[N+](=O)[O-])O","LPKRLLPOHYNXMW-ABANGTFTSA-N",52950904,NA,"PDBC32826","750907","Present",NA,NA
+"32827","CID 5351409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1-[1-ethyl-4-hydroxy- 4-[2-(4-methylphen...",NA,"CCN1CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)C)(C=CC3=CC=C(C=C3)C)O.Cl","SOSNCYMKWIVYBS-CKUBSENYSA-N",5351409,NA,"PDBC32827","657298","Present",NA,NA
+"32828","CID 5351849",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC64111",NA,"C1=CC=C(C=C1)[P+](CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","CHRKHMGMGKEAAN-UHFFFAOYSA-M",5351849,NA,"PDBC32828","64111","Present",NA,NA
+"32829","CID 5353772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MEZEREIN",NA,"CC1C(C2(C3C4C1(C5C=C(C(=O)C5(C(C6(C4O6)CO)O)O)C)OC(O3)(O2)C7=CC=CC=C7)C(=C)C)OC(=O)C=CC=CC8=CC=CC=C8","DLEDLHFNQDHEOJ-KFGDLTOCSA-N",5353772,NA,"PDBC32829","239072","Present",NA,NA
+"32830","CID 5381366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pregna-4,6-dien-3-one, 11.beta.-hydroxy-2-(hydroxymethyl...",NA,"CC1CC2C3C=C(C4=CC(=O)C(=CO)CC4(C3C(CC2(C15C6(COCO6)OCO5)C)O)C)C","WKLPTHVGGWUGJV-YBEGLDIGSA-N",5381366,NA,"PDBC32830","116339","Present",NA,NA
+"32831","CID 5383837",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(2,4-Dioxo-1H-pyrimidin-5-yl)prop-2-enoic acid",NA,"C1=C(C(=O)NC(=O)N1)C=CC(=O)O.C1=C(C(=O)NC(=O)N1)C=CC(=O)O","PAOPLHAUUGWSCN-MAZDBSFSSA-N",5383837,NA,"PDBC32831","201239","Present",NA,NA
+"32832","CID 5384288",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-But-2-enedioic acid;1-[2-(dimethylamino)ethylamino]-2-methoxy-4-methylthioxanthen-9-one",NA,"CC1=CC(=C(C2=C1SC3=CC=CC=C3C2=O)NCCN(C)C)OC.C(=CC(=O)O)C(=O)O","REHIDBKFPHFTPN-WLHGVMLRSA-N",5384288,NA,"PDBC32832","320249","Present",NA,NA
+"32833","CID 5384422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC330790",NA,"CC(=C1C(=O)OC(=N1)C2=CC=CC=C2)C3=CC=CS3","LEWOKDOCKGJZMC-RAXLEYEMSA-N",5384422,NA,"PDBC32833","330790","Present",NA,NA
+"32834","CID 5387762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-5-pentylidene-...",NA,"CCCCC=C1CCC(C1=O)CN(C)C.Cl","VXXNBWRDPYVVQC-AJULUCINSA-N",5387762,NA,"PDBC32834","626878","Present",NA,NA
+"32835","CID 54602258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassiumethylenediaminetetraazidocobaltate(III)",NA,"C(CN)N.N=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[N-]=[N+]=[N-].[K+].[Co+3]","VPWAJMQGXNOELQ-UHFFFAOYSA-N",54602258,NA,"PDBC32835","631454","Present",NA,NA
+"32836","CID 54602403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC15602",NA,"C(C(=O)O)O[Sb]OCC(=O)O.O.O.O.[Na+]","ABUINDDJNHODLX-UHFFFAOYSA-N",54602403,NA,"PDBC32836","15602","Present",NA,NA
+"32837","CID 54604911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC16865",NA,"C(C(CS)S)O.[Bi]","OAIWQXFETFYYAL-UHFFFAOYSA-N",54604911,NA,"PDBC32837","16865","Present",NA,NA
+"32838","CID 54605384",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC41809",NA,"[Li+].C(C(C(=O)O)S)C(=O)O.[Sb]","WMZQAMHSTDERFS-UHFFFAOYSA-N",54605384,NA,"PDBC32838","41809","Present",NA,NA
+"32839","CID 5464925",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624725",NA,"CN(C1=CC=CC=C1)C(=NO)C2=CC=CC=C2","XQNPFLAAKWMIDR-PFONDFGASA-N",5464925,NA,"PDBC32839","624725","Present",NA,NA
+"32840","CID 5465261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643468",NA,"CCOCN=C(N)NC#N","GYOFNDXYYZXBMV-UHFFFAOYSA-N",5465261,NA,"PDBC32840","643468","Present",NA,NA
+"32841","CID 5465266",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643475",NA,"COCN=C(N)NC#N","RSKNWCGKYIHOGS-UHFFFAOYSA-N",5465266,NA,"PDBC32841","643475","Present",NA,NA
+"32842","CID 5468181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[(3-Propylthio)cinnamanilide]-3-methyl-1-phenyl-1,3,8-...",NA,"CN1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=CC=C3NC(=O)C=CC4=CC=CC=C4)C5=CC=CC=C5.Cl","ANCZNDUKTVHPRJ-ZAGWXBKKSA-N",5468181,NA,"PDBC32842","665878","Present",NA,NA
+"32843","CID 5469617",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690757",NA,"CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3C1=C(C(=C(O3)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC","BIYWMOLCMUADFB-VCHYOVAHSA-N",5469617,NA,"PDBC32843","690757","Present",NA,NA
+"32844","CID 5469647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenone, 1-[1-ethyl-4-hydroxy-4-[2-[4-(1-methylethyl...",NA,"CCN1CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)C(C)C)(C=CC3=CC=C(C=C3)C(C)C)O.Cl","BUCRDCRLMJEEFQ-RWMISWKVSA-N",5469647,NA,"PDBC32844","691273","Present",NA,NA
+"32845","CID 5470076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] 4-chlorobenzoate;hydrochloride",NA,"CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)C1=O.Cl","HJCIZFCRZJNNMW-LSJACRKWSA-N",5470076,NA,"PDBC32845","697444","Present",NA,NA
+"32846","CID 57682490",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772992",NA,"CC1(C(=O)N(C2=C(O1)C=CC(=N2)NC3=NC(=NC=C3F)NC4=CC(=C(C(=C4)OC)OC)OC)COP(=O)([O-])[O-])C","GKDRMWXFWHEQQT-UHFFFAOYSA-L",57682490,NA,"PDBC32846","772992","Present",NA,NA
+"32847","CID 5915855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657927",NA,"CCC(=O)NS(=NS(=O)(=O)C1=CC=CC=C1)C(Cl)(Cl)Cl","QQDLLWKHFAEWNP-UHFFFAOYSA-N",5915855,NA,"PDBC32847","657927","Present",NA,NA
+"32848","CID 5918065",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657926",NA,"C1=CC=C(C=C1)C(=O)NS(=NS(=O)(=O)C2=CC=C(C=C2)Br)C(Cl)(Cl)Cl","KQAAJAGMFAUSBK-UHFFFAOYSA-N",5918065,NA,"PDBC32848","657926","Present",NA,NA
+"32849","CID 5938450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676375",NA,"CC(C)C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=NO)CO","NAKRZPMOOYHCAO-DVZOWYKESA-N",5938450,NA,"PDBC32849","676375","Present",NA,NA
+"32850","CID 6330567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-lambda1-Selanylpyridin-3-ol",NA,"C1=CC(=C(N=C1)[Se])O","RDJIZJJDNRHWMP-UHFFFAOYSA-N",6330567,NA,"PDBC32850","374986","Present",NA,NA
+"32851","CID 6330748",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boron;(E)-3-chloro-2,3-bis(3,4-dimethoxyphenyl)-N,N-dimethylprop-2-en-1-amine",NA,"[B].CN(C)CC(=C(C1=CC(=C(C=C1)OC)OC)Cl)C2=CC(=C(C=C2)OC)OC","PMRJBUGXGFMLGC-PLMZOXRSSA-N",6330748,NA,"PDBC32851","618113","Present",NA,NA
+"32852","CID 6331023",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexylamineorganogermanium compound",NA,"C1CCC(CC1)N.O[Ge]=O.O[Ge]=O.O=[Ge].O=[Ge]","OVWZOPYHOWCTMQ-UHFFFAOYSA-N",6331023,NA,"PDBC32852","640073","Present",NA,NA
+"32853","CID 6331025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methylformamideorganogermanium compound",NA,"CNC=O.O[Ge]=O.O[Ge]=O.O=[Ge].O=[Ge].O=[Ge]","WSVAEIJLWGRJPW-UHFFFAOYSA-N",6331025,NA,"PDBC32853","640074","Present",NA,NA
+"32854","CID 6331026",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".gamma.-Picolin-organogermanium compound",NA,"CC1=CC=NC=C1.O[Ge]=O.O[Ge]=O.O=[Ge].O=[Ge].O=[Ge].O=[Ge].O=[Ge]","UPMMVDHFWCDFIZ-UHFFFAOYSA-N",6331026,NA,"PDBC32854","640075","Present",NA,NA
+"32855","CID 6331027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxylureal-organogermanium compound",NA,"C(=O)(N)NO.O.O.O.O.O.O.O.O.O.O.O.O[Ge]=O.O=[Ge].O=[Ge].O=[Ge].O=[Ge].[Ge].[Ge].[Ge].[Ge].[Ge]","JVHCFORDXMFMHC-UHFFFAOYSA-N",6331027,NA,"PDBC32855","640076","Present",NA,NA
+"32856","CID 6331594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699800",NA,"[B].CS(=O)(=O)OC1CN2CC(C(C2C1CO)O)O","ZRVXGRHJWKTQDH-XIOTWTAQSA-N",6331594,NA,"PDBC32856","699800","Present",NA,NA
+"32857","CID 6331752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Aziridin-1-yl)ethoxy-triphenylsilane;boron",NA,"[B].C1CN1CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","RYBIKVCTGCGVDS-UHFFFAOYSA-N",6331752,NA,"PDBC32857","718532","Present",NA,NA
+"32858","CID 6333604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC274556",NA,"C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.N=[N+]=[N-].[Au+]","GTWLLCQOGOEXQK-UHFFFAOYSA-O",6333604,NA,"PDBC32858","274556","Present",NA,NA
+"32859","CID 6334368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC618640",NA,"C[N+](C)(C)C.C1=CC=C2C(=C1)C(O[Si-]23C4=CC=CC=C4C(O3)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F","PMGFVUVODXCHHU-UHFFFAOYSA-N",6334368,NA,"PDBC32859","618640","Present",NA,NA
+"32860","CID 6368539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbon monoxide;platinum;pyridine;trichlorotin",NA,"[C-]#[O+].C1=CC=NC=C1.Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[Pt]","FVPCVPKCIJHNAC-UHFFFAOYSA-H",6368539,NA,"PDBC32860","615540","Present",NA,NA
+"32861","CID 6381338",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;(dioxo-lambda5-selanyl)benzene",NA,"C1=CC=C(C=C1)[Se](=O)=O.C1=CC=C(C=C1)[Se](=O)=O.[Cu]","QEFKWOOGLPYLQH-UHFFFAOYSA-N",6381338,NA,"PDBC32861","626670","Present",NA,NA
+"32862","CID 6383225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbon monoxide;1,10-phenanthroline;platinum;trichlorotin",NA,"[C-]#[O+].C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[Pt]","QGMDUJHLXQUNAK-UHFFFAOYSA-H",6383225,NA,"PDBC32862","615541","Present",NA,NA
+"32863","CID 6392756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbon monoxide;platinum;trichlorotin;triphenylphosphanium",NA,"[C-]#[O+].C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.Cl[Sn](Cl)Cl.Cl[Sn](Cl)Cl.[Pt]","RCYHWIXGZOOKMQ-UHFFFAOYSA-J",6392756,NA,"PDBC32863","615542","Present",NA,NA
+"32864","CID 6414726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(16E)-16-Hydroxyimino-13-methyl-3-(2-methylprop-2-enoxy)-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one",NA,"CC(=C)COC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(=NO)C4=O)C","YQICTZDGXWUAOK-BSYVCWPDSA-N",6414726,NA,"PDBC32864","97845","Present",NA,NA
+"32865","CID 6419846",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TETRAAMMINECOPPER(2+) DITHIOCYANATE COMPOUND WITH QUINOL...",NA,"C1=CC=C2C(=C1)C=CC=N2.C(=N)=S.C(=N)=S.C(#N)S.[NH2-].[NH2-].[NH2-].[NH2-].[Cu+2]","IPHQEIYXYJCGKY-UHFFFAOYSA-N",6419846,NA,"PDBC32865","2006","Present",NA,NA
+"32866","CID 6711243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378727",NA,"CC1C2CC3C4(C2(COC15C(CC(O5)(C)C)O)C(=O)CC6(C4CCC7C6(CC8=NC9=C(CC1(C(C9)CCC2C1CC(C1(C2=CC2C1(C(C1(O2)C(CC(O1)(C)CO)O)C)O)C)O)C)N=C8C7)C)O)O3","SEQUCTGXHCVPLA-DLCGXSAUSA-N",6711243,NA,"PDBC32866","378727","Present",NA,NA
+"32867","CID 6711246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378734",NA,"CC1C2C(C=C3C2(C(CC4C3CCC5C4(CC6=NC7=C(CC8(C(C7)CCC9C8CC(C2(C9=CC3C2(C(C2(O3)C(CC(O2)(C)CO)O)C)O)C)O)C)N=C6C5)C)O)CO)OC11CCC(O1)(C)C","AWYLYACMGLGJJG-XSSYFPCESA-N",6711246,NA,"PDBC32867","378734","Present",NA,NA
+"32868","CID 6711248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378736",NA,"CC1C2(CCC(O2)(C)C)OC3C1(C4(C(CC5C(C4=C3)CCC6C5(CC7=C(C6)N=C8CC9(C(CCC1C9CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)CC8=N7)C)C)O)C)O","AGIMKWVJNZNTTM-WQBKIXSZSA-N",6711248,NA,"PDBC32868","378736","Present",NA,NA
+"32869","CID 6711881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prehispanolone",NA,"CC1C(=O)CC2C(CCCC2(C13CCC4(O3)COC=C4)C)(C)C","MFAYXOLUJJXHCN-YEJLTRTHSA-N",6711881,NA,"PDBC32869","645754","Present",NA,NA
+"32870","CID 6712884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC718147",NA,"[B-][P+]1(C(C(C(C1C)O)O)C)CC[P+]([B-])(C2=CC=CC=C2)C3=CC=CC=C3OC","ZOYDBNTVLXABTN-DXZZKLBBSA-N",6712884,NA,"PDBC32870","718147","Present",NA,NA
+"32871","CID 71090129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-2795039",NA,"CC(C)N1C=C(C2=C(C=CN=C21)NS(=O)(=O)C3=NN(C=C3)C)C4=CC5=C(CCN5C)C=C4","FMWVTCZKCXPKFW-UHFFFAOYSA-N",71090129,NA,"PDBC32871","795781","Present",NA,NA
+"32872","CID 71565985",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A-1331852",NA,"CC1=C(C=NN1CC23CC4CC(C2)CC(C4)C3)C5=C(N=C(C=C5)N6CCC7=C(C6)C(=CC=C7)C(=O)NC8=NC9=CC=CC=C9S8)C(=O)O","QCQQONWEDCOTBV-UHFFFAOYSA-N",71565985,NA,"PDBC32872","797172","Present",NA,NA
+"32873","CID 72195175",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)-N-(4-((4-meth...",NA,"CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=C4C=CN5","VXLAKHWYGRKCGI-UHFFFAOYSA-N",72195175,NA,"PDBC32873","781143","Present",NA,NA
+"32874","CID 73388374",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-983970",NA,"C1CC1CC(C(CCC(F)(F)F)C(=O)NC2C(=O)NC3=C(C=CC=C3F)C(=N2)C4=CC=CC=C4)C(=O)N","RANYIWAZSQWERN-WLENULPWSA-N",73388374,NA,"PDBC32874","785222","Present",NA,NA
+"32875","CID 92967841",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787301",NA,"CC1=C2C(=CC=C1)C3(C(C4(C5N3CCC5)C6=CC=CC=C6NC4=O)C(=O)C7=CC=CC=C7)C(=O)N2","NEPASYFAGKCLAO-PJKQZJAASA-N",92967841,NA,"PDBC32875","787301","Present",NA,NA
+"32876","CID 9555832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640635",NA,"C1=CC=C(C=C1)C=CC=NN(C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","CMZPQMALKOQRAD-WMMOABOTSA-N",9555832,NA,"PDBC32876","640635","Present",NA,NA
+"32877","CID 9555833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5,6-Diphenyl-1,2,4-triazin-3-yl)-4-methyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)N=CC=CC5=CC=CC=C5","CFXWVTWKHHLPGS-WEWOMUTJSA-N",9555833,NA,"PDBC32877","640636","Present",NA,NA
+"32878","CID 9556371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(E)-3-Phenylprop-2-enylidene]amino]-2-[2-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]carbamoyl]anilino]benzamide",NA,"C1=CC=C(C=C1)C=CC=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=CC=CC4=CC=CC=C4","GJYVKGCNQSPMNZ-FLBAODLISA-N",9556371,NA,"PDBC32878","698451","Present",NA,NA
+"32879","CID 9569863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-4-(1,3-Benzodioxol-5-yl)-5-(dimethylcarbamothioylimino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC3=C(C=C2)OCO3","XUGJFKHVMVEQAN-RYOQUFEFSA-N",9569863,NA,"PDBC32879","622589","Present",NA,NA
+"32880","CID 9571928",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-Benzylideneamino]-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine",NA,"CC1=NN=C2N1N=C(S2)NN=CC3=CC=CC=C3","UVVKBPXCVLOPED-KPKJPENVSA-N",9571928,NA,"PDBC32880","671879","Present",NA,NA
+"32881","CID 9572046",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-N-[(E)-1-pyridin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,"CC(=NNC1=NC2=C(S1)C=CC(=C2)F)C3=CC=CC=N3","BVNKDAAWEJTNOD-GIJQJNRQSA-N",9572046,NA,"PDBC32881","693634","Present",NA,NA
+"32882","CID 9572072",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-Benzylideneamino]-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide",NA,"C1=CC=C(C=C1)C=NNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","SGMRMKDBAITTTN-DHRITJCHSA-N",9572072,NA,"PDBC32882","698981","Present",NA,NA
+"32883","CID 9572172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-(4-chlorophenyl)-2-(4-methylphenyl)sulfonylguanidine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC=C(C=C2)Cl)NN","NFHWOGYGBKSJQM-UHFFFAOYSA-N",9572172,NA,"PDBC32883","706440","Present",NA,NA
+"32884","CID 9572192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(1-Benzofuran-2-ylsulfonyl)-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"C1=CC=C2C(=C1)C=C(O2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","STCIEHOODYEFGY-UHFFFAOYSA-N",9572192,NA,"PDBC32884","707035","Present",NA,NA
+"32885","CID 9572196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(Benzenesulfonyl)thiophen-2-yl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(S2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","FNFNWKBCEZPBNZ-UHFFFAOYSA-N",9572196,NA,"PDBC32885","707039","Present",NA,NA
+"32886","CID 9572197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(Benzenesulfonyl)thiophen-2-yl]sulfonyl-1-(4-chlorophenyl)-3-hydroxyguanidine",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CSC(=C2)S(=O)(=O)N=C(NC3=CC=C(C=C3)Cl)NO","FHFSEVUNCUEQSP-UHFFFAOYSA-N",9572197,NA,"PDBC32886","707040","Present",NA,NA
+"32887","CID 9572201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonyl-3-hydroxyguanidine",NA,"C1=CC(=CC=C1NC(=NS(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)NO)Cl","CQXSUMLIDYGCAP-UHFFFAOYSA-N",9572201,NA,"PDBC32887","707044","Present",NA,NA
+"32888","CID 9572203",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dichlorophenyl)-3-hydroxy-2-(4-methylphenyl)sulfonylguanidine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=C(NC2=CC(=C(C=C2)Cl)Cl)NO","BJVFDSKJOZDNIL-UHFFFAOYSA-N",9572203,NA,"PDBC32888","707046","Present",NA,NA
+"32889","CID 9572216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitrophenoxy)phenyl]sulfonylguanidine",NA,"C1=CC(=CC=C1NC(=NS(=O)(=O)C2=CC(=C(C(=C2)Cl)OC3=C(C=C(C=C3)[N+](=O)[O-])Cl)Cl)N)Cl","BQXSHLSSKFEOEN-UHFFFAOYSA-N",9572216,NA,"PDBC32889","707407","Present",NA,NA
+"32890","CID 9572570",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(NE)-N-[1-[3-(furo[2,3-b]quinolin-4-ylamino)phenyl]ethylidene]hydroxylamine",NA,"CC(=NO)C1=CC(=CC=C1)NC2=C3C=COC3=NC4=CC=CC=C42","FKMZLVVEWLPHHR-WSDLNYQXSA-N",9572570,NA,"PDBC32890","720556","Present",NA,NA
+"32891","CID 9572571",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine",NA,"CC(=NOC)C1=CC(=CC=C1)NC2=C3C=COC3=NC4=CC=CC=C42","RWIMYYCFWKUDTR-YDZHTSKRSA-N",9572571,NA,"PDBC32891","720557","Present",NA,NA
+"32892","CID 9572611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1,3-Benzodioxol-5-yl)-2-[(2E)-2-benzylidenehydrazinyl]-1-methyl-6-oxopyrimidine-5-carbonitrile",NA,"CN1C(=O)C(=C(N=C1NN=CC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C#N","VWSBWOBVIKFZOP-SSDVNMTOSA-N",9572611,NA,"PDBC32892","722326","Present",NA,NA
+"32893","CID 9604911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW784752X",NA,"COC1=CC=CC(=C1)N2C3=NC=NC(=C3C=N2)NN=CC4=CC=NC=C4","PVIMTNAWPMEBAK-LSHDLFTRSA-N",9604911,NA,"PDBC32893","756350","Present",NA,NA
+"32894","CID 9821433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759817",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)O)C","FIHJKUPKCHIPAT-AXFKQHSWSA-N",9821433,NA,"PDBC32894","759817","Present",NA,NA
+"32895","CIL-102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CIL-102",NA,"CC(=O)C1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42","VJDPGTFIMDGXDQ-UHFFFAOYSA-N",404353,NA,"PDBC32895","720555","Present",NA,NA
+"32896","CINNAMIC ACID, o-NITRO-alpha-PHENYL-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642586",NA,"C1=CC=C(C=C1)C(=CC2=CC=CC=C2[N+](=O)[O-])C(=O)O","YLWQPIVSPODKCB-JLHYYAGUSA-N",5466750,NA,"PDBC32896","642586","Present",NA,NA
+"32897","CK2 inhibitor D11",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CK2 inhibitor D11",NA,"COC1=CC=C(C=C1)N=CC2=C(C=CC3=C2OC4=CC(=C(C(=C34)Cl)O)Cl)O","UWXKHLVNEQUSFY-UHFFFAOYSA-N",342396,NA,"PDBC32897","379099","Present",NA,NA
+"32898","CL 82198 hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CL-82198 CalBioChem Cat. No. 233105",NA,"C1COCCN1CCCCNC(=O)C2=CC3=CC=CC=C3O2.Cl","PIOACXKZWXHBRB-UHFFFAOYSA-N",16760373,NA,"PDBC32898","727677","Present",NA,NA
+"32899","CL-298741;Ytr-830H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tazobactam (usan)",NA,"CC1(C(N2C(S1(=O)=O)CC2=O)C(=O)O)CN3C=CN=N3","LPQZKKCYTLCDGQ-KTOWXAHTSA-N",51371314,NA,"PDBC32899","759887","Present",NA,NA
+"32900","CM-1048",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CM-1048",NA,"CN1C2=CC=CC=C2C=C1C(C3(SCCCS3)C4=CN=CC=C4)O","HSJHPWVNBPKEQJ-UHFFFAOYSA-N",393322,NA,"PDBC32900","694987","Present",NA,NA
+"32901","CNDAC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CNDAC",NA,"C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)C#N","DCYBPMFXJCWXNB-PIWGOKLLSA-N",57616470,NA,"PDBC32901","793679","Present",NA,NA
+"32902","COBSHTCVQBUXRU-VIFPVBQESA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COBSHTCVQBUXRU-VIFPVBQESA-N",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)O","COBSHTCVQBUXRU-VIFPVBQESA-N",396540,NA,"PDBC32902","703010","Present",NA,NA
+"32903","COC183B2 antibody",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COC183B2 antibody",NA,NA,NA,NA,NA,"PDBC32903","740291","Present",NA,NA
+"32904","COG112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COG112",NA,NA,NA,NA,NA,"PDBC32904","781421","Present",NA,NA
+"32905","COc1ccc2C(C3=C(COC3=O)N(CCO)c2c1)c4cccc(Br)c4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756095",NA,"COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=CC=C4)Br","KWTPYZVIVMRWIC-UHFFFAOYSA-N",118715245,NA,"PDBC32905","756095","Present",NA,NA
+"32906","COc1cccc(c1)C2C3=C(COC3=O)N(CCO)c4cc(OC)ccc24",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756092",NA,"COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=CC=C4)OC","KMSFNUUSZSXKIZ-UHFFFAOYSA-N",118715243,NA,"PDBC32906","756092","Present",NA,NA
+"32907","CP-547632",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CP-547632",NA,"C1CCN(C1)CCCCNC(=O)NC2=C(C(=NS2)OCC3=C(C=C(C=C3F)Br)F)C(=O)N","HXHAJRMTJXHJJZ-UHFFFAOYSA-N",9811611,NA,"PDBC32907","800077","Present",NA,NA
+"32908","CP-91149",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CP-91149",NA,"CN(C)C(=O)C(C(CC1=CC=CC=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)Cl)O","HINJNZFCMLSBCI-PKOBYXMFSA-N",9843900,NA,"PDBC32908","761690","Present",NA,NA
+"32909","CPAKZZASGNMFCD-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CPAKZZASGNMFCD-UHFFFAOYSA-N",NA,"CC(C)CC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2","CPAKZZASGNMFCD-UHFFFAOYSA-N",384768,NA,"PDBC32909","675204","Present",NA,NA
+"32910","CPI-0610 anhydrous",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CPI-0610",NA,"CC1=NOC2=C1C3=CC=CC=C3C(=NC2CC(=O)N)C4=CC=C(C=C4)Cl","GCWIQUVXWZWCLE-INIZCTEOSA-N",57389999,NA,"PDBC32910","784856","Present",NA,NA
+"32911","CPI-1205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CPI-1205",NA,"CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(N(C3=CC=CC=C32)C(C)C4CCN(CC4)CC(F)(F)F)C)OC","HPODOLXTMDHLLC-QGZVFWFLSA-N",78320408,NA,"PDBC32911","793430","Present",NA,NA
+"32912","CPI-169 racemate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CPI-169",NA,"CCS(=O)(=O)N1CCC(CC1)C(C)N2C(=C(C3=CC=CC=C32)C(=O)NCC4=C(C=C(NC4=O)C)OC)C","LHGUZCKPFXXVPV-UHFFFAOYSA-N",78357814,NA,"PDBC32912","782310","Present",NA,NA
+"32913","CPI-455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CPI-455",NA,"CC(C)C1=C(N=C2C(=CNN2C1=O)C#N)C3=CC=CC=C3","VGXRQCOVGLGFIM-UHFFFAOYSA-N",78426698,NA,"PDBC32913","825282","Present",NA,NA
+"32914","CREBANINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CREBANINE",NA,"CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5OC)OC)OCO3","UVDQDNQWGQFIAO-CQSZACIVSA-N",333544,NA,"PDBC32914","335648","Present",NA,NA
+"32915","CS-0094876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-0094876",NA,"COC(=O)C1=C2CCCC2=CC3=C1CCC3","GJVIXJNHMXGNBX-UHFFFAOYSA-N",382668,NA,"PDBC32915","670316","Present",NA,NA
+"32916","CS-B1099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-B1099",NA,"CC1(OC2C(OC(C2O1)N3C=NC(=NC3=O)N)CO)C","JPOUCJFPOOJFME-UHFFFAOYSA-N",319607,NA,"PDBC32916","264079","Present",NA,NA
+"32917","CS-M1043",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-M1043",NA,"CC(C)(C)OC(=O)N1CCCC1(CCCCl)C(=O)OC","JXSBVGITDYKWEC-UHFFFAOYSA-N",394148,NA,"PDBC32917","697382","Present",NA,NA
+"32918","CS-W001447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-W001447",NA,"CC(C)(C)OC(=O)N1CCC2=C(C1)C(=O)NN2","DTLXVAXCKABFRY-UHFFFAOYSA-N",384447,NA,"PDBC32918","674228","Present",NA,NA
+"32919","CSA13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CSA13",NA,"CCCCCCCCNCCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCCN)C)OCCCN)OCCCN)C","YDYLISNLJUDIGF-QLFRQJPNSA-N",24205348,NA,"PDBC32919","735211","Present",NA,NA
+"32920","CT-482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CT-482",NA,"CC(C)(C)C1=CC(=CC(=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC(=CC(=C7)C(C)(C)C)C(C)(C)C)C8=CC(=CC(=C8)C(C)(C)C)C(C)(C)C)C=C4)C9=CC(=CC(=C9)C(C)(C)C)C(C)(C)C)N3)C(C)(C)C","QDJDXOLMFCSORQ-UHFFFAOYSA-N",135451950,NA,"PDBC32920","634741","Present",NA,NA
+"32921","CT1042",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CT1042",NA,"CN(CC1=CC=C(C=C1)C(F)(F)F)CC(C(=O)NC2=CC=C(C=C2)Cl)O","HGEMJGANXMBYFL-UHFFFAOYSA-N",155810824,NA,"PDBC32921","798198","Present",NA,NA
+"32922","CTRXHSDVFVFXGZ-UHFFFAOYSA-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CTRXHSDVFVFXGZ-UHFFFAOYSA-",NA,"CC1=C2C(=NNC2=O)CCN1C3=CC=C(C=C3)Br","CTRXHSDVFVFXGZ-UHFFFAOYSA-N",394790,NA,"PDBC32922","698575","Present",NA,NA
+"32923","CUDC-427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CUDC-427",NA,"CC(C(=O)NC(C1CCCCC1)C(=O)N2CCCC2C(=O)NC3=C(N=C(S3)C4=NC=CO4)C5=CC=CC=C5)NC","HSHPBORBOJIXSQ-HARLFGEKSA-N",71600094,NA,"PDBC32923","781468","Present",NA,NA
+"32924","CVEZBHGHRFJNSR-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVEZBHGHRFJNSR-UHFFFAOYSA-N",NA,"CN(C)CCN1C2=C(C=C(C=C2)OC)C3=C1C4=CC=CC=C4CC3","CVEZBHGHRFJNSR-UHFFFAOYSA-N",390901,NA,"PDBC32924","689076","Present",NA,NA
+"32925","CVTKHBONQJBXKR-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CVTKHBONQJBXKR-UHFFFAOYSA-N",NA,"C1C(C(=O)NC2=CC=CC=C2S1)N","CVTKHBONQJBXKR-UHFFFAOYSA-N",357334,NA,"PDBC32925","615600","Present",NA,NA
+"32926","CYCLOARTOCARPIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CYCLOARTOCARPIN",NA,"CC(C)C=CC1=C(C=C2C(=C1O)C(=O)C3=C(O2)C4=C(C=C(C=C4)O)OC3C=C(C)C)OC","FWIXOUMETCCFPO-SOFGYWHQSA-N",5458462,NA,"PDBC32926","241011","Present",NA,NA
+"32927","Cacodylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dmaa",NA,"C[As](=O)(C)O","OGGXGZAMXPVRFZ-UHFFFAOYSA-N",2513,NA,"PDBC32927","103115","Present",NA,NA
+"32928","Cacodylic acid, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alkarsodyl",NA,"C[As](=O)(C)O.[Na+]","IHQKEDIOMGYHEB-UHFFFAOYSA-N",23615615,NA,"PDBC32928","1910","Present",NA,NA
+"32929","Cacotheline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cacotheline (8ci)",NA,"C1CN2CC3=CCOC(C4C3CC2C15C4NC6=C(C(=O)C(=O)C=C56)[N+](=O)[O-])CC(=O)O","IVEMPCACOMNRGI-UHFFFAOYSA-N",221125,NA,"PDBC32929","5069","Present",NA,NA
+"32930","Cactinomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cactinomycin",NA,NA,NA,NA,NA,"PDBC32930","18268","Present",NA,NA
+"32931","Cadambine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cadambine",NA,"COC(=O)C1=COC(C2C1CC34C5=C(CCN3CC2O4)C6=CC=CC=C6N5)OC7C(C(C(C(O7)CO)O)O)O","OVRROYYXOBYCSR-UHFFFAOYSA-N",398038,NA,"PDBC32931","707140","Present",NA,NA
+"32932","Cadiaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cadiaine",NA,"C1CC2C3CC(CN2C(=O)C1)C4CC(CCN4C3)OC(=O)C5=CC=C(C=C5)O","UZNOIYSGPGTEIH-AFKBCAQJSA-N",334776,NA,"PDBC32932","341585","Present",NA,NA
+"32933","Cadmium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caddy",NA,"Cl[Cd]Cl","YKYOUMDCQGMQQO-UHFFFAOYSA-L",24947,NA,"PDBC32933","51148","Present",NA,NA
+"32934","Cadmium(2+);methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cadmium(2+);methyl 3-[18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethylporphyrin-21,23-diid-2-yl]propanoate",NA,"CC1=CC2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)OC)CCC(=O)OC)C)C=C3C.[Cd+2]","SUECBVCZZHRSHF-UHFFFAOYSA-N",3551195,NA,"PDBC32934","33202","Present",NA,NA
+"32935","Cadmium,O)dichloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cadmium, bis(2-amino-2-methyl-1-propanol-N,O)dichloro-",NA,"CC(C)(CO)[NH-].CC(C)(CO)[NH-].Cl[Cd]Cl","VUSVRGODDTYFNN-UHFFFAOYSA-L",412646,NA,"PDBC32935","40693","Present",NA,NA
+"32936","Cadmium;1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cadmium;1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid",NA,"C1(C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)O)C(=O)O.[Cd]","DNTKXOBGRPJSCS-UHFFFAOYSA-N",5351702,NA,"PDBC32936","22225","Present",NA,NA
+"32937","Cadmium;2-diphenylphosphorylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cadmium;2-diphenylphosphorylacetic acid",NA,"C1=CC=C(C=C1)P(=O)(CC(=O)O)C2=CC=CC=C2.C1=CC=C(C=C1)P(=O)(CC(=O)O)C2=CC=CC=C2.[Cd]","FGWZCFCHGJRBJM-UHFFFAOYSA-N",426571,NA,"PDBC32937","194270","Present",NA,NA
+"32938","Caerulomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caerulomycin",NA,"COC1=CC(=NC(=C1)C2=CC=CC=N2)C=NO","JCTRJRHLGOKMCF-ZSOIEALJSA-N",135478684,NA,"PDBC32938","114341","Present",NA,NA
+"32939","Caesaldekarin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caesaldekarin C",NA,"CC1C2CCC3(C(C2CC4=C1C=CO4)(CCCC3(C)C(=O)OC)C)O","GMCXIFIKPROBFX-ZOJTVGBFSA-N",10712612,NA,"PDBC32939","734353","Present",NA,NA
+"32940","Caesaldekarin F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caesaldekarin F",NA,"CC12CCCC(C1(CCC3C2CC4=C(C3=C)C=CO4)O)(C)C(=O)OC","DLOQRHPCAVGJOL-KXLDAGHISA-N",15381600,NA,"PDBC32940","734354","Present",NA,NA
+"32941","Caesaljapin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caesaljapin",NA,"CC1C2CCC3C(CCCC3(C2CC4=C1C=CO4)C(=O)O)(C)C(=O)OC","BUDZNKDGXHMPRO-ISGQYPEVSA-N",6712179,NA,"PDBC32941","658116","Present",NA,NA
+"32942","Cajanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CAJANONE",NA,"CC(=CCC1=CC(=C(C=C1O)O)C2COC3=C(C2=O)C(=C4C=CC(OC4=C3)(C)C)O)C","BAKSOIVZFARRJC-UHFFFAOYSA-N",325518,NA,"PDBC32942","294409","Present",NA,NA
+"32943","Calcein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"calcein",NA,"C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C(=C4)CN(CC(=O)O)CC(=O)O)O)OC5=C3C=C(C(=C5)O)CN(CC(=O)O)CC(=O)O","DEGAKNSWVGKMLS-UHFFFAOYSA-N",65079,NA,"PDBC32943","298193","Present",NA,NA
+"32944","Calcein AM",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"calcein am",NA,"CC(=O)OCOC(=O)CN(CC1=CC2=C(C=C1OC(=O)C)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=C(C(=C3)OC(=O)C)CN(CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C)CC(=O)OCOC(=O)C","BQRGNLJZBFXNCZ-UHFFFAOYSA-N",390986,NA,"PDBC32944","689290","Present",NA,NA
+"32945","Calcimycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antibiotic A-23187",NA,NA,"CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC","HIYAVKIYRIFSCZ-CVXKHCKVSA-N",40486,NA,"PDBC32945",NA,"Absent",NA,NA
+"32946","Calcipotriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calcipotriol",NA,NA,"CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C","LWQQLNNNIPYSNX-UROSTWAQSA-N",5288783,NA,"PDBC32946",NA,"Absent",NA,NA
+"32947","Calendula",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC92227",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C","AJBZENLMTKDAEK-UHFFFAOYSA-N",260656,NA,"PDBC32947","92227","Present",NA,NA
+"32948","Calendulaglycoside B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calendulaglycoside B",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C2C1)C)C(=O)O)C","YDZWHGJRWMQCDP-MQYWXEPLSA-N",24204442,NA,"PDBC32948","731917","Present",NA,NA
+"32949","Calendulaglycoside B-6'-O-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calendulaglycoside B-6'-O-butyl ester",NA,"CCCCOC(=O)C1C(C(C(C(O1)OC2CCC3(C(C2(C)C)CCC4(C3CC=C5C4(CCC6(C5CC(CC6)(C)C)C(=O)O)C)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)O","ZVBYEOQPQROTOB-VMVCWVRBSA-N",24204445,NA,"PDBC32949","731920","Present",NA,NA
+"32950","Calendulaglycoside D-6'-O-methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calendulaglycoside D-6'-O-methyl ester",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)O)OC7C(C(C(C(O7)CO)O)O)O)O)C)C)C2C1)C)C(=O)O)C","LZWQMJKDWBMYDJ-MWDVQFAXSA-N",24204447,NA,"PDBC32950","731922","Present",NA,NA
+"32951","Calendulaglycoside D2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calendulaglycoside D2",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)O)O)O)O)C)C)C2C1)C)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C","YOSRLTNUOCHBEA-JHUQDTEWSA-N",24204446,NA,"PDBC32951","731921","Present",NA,NA
+"32952","Callipeltin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Callipeltin A",NA,"CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C)C)C(C2=CC=C(C=C2)O)OC)CCC(=O)N)C)CC(C)C)CCCN=C(N)N)C(C)O)NC(=O)C(C(C)C(C)C(=O)N)NC(=O)C(C(C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(C)C(C(C)CC(C)C)O)O)O","UDTRUOCOOZKCCT-RICYRUERSA-N",392389,NA,"PDBC32952","692753","Present",NA,NA
+"32953","Callyspongin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Callyspongin A",NA,"C#CC=CCCCCC=CC#CC#CCCCC#CC#CC(COS(=O)(=O)O)OS(=O)(=O)O.[Na+]","QUHSAVZHGCXOJV-KIIKPUNRSA-N",54611430,NA,"PDBC32953","695836","Present",NA,NA
+"32954","Callystatin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Callystatin A",NA,"CCC(C)C(C(C)C(=O)C(C)C=C(C)C=CCC(C)C=C(CC)C=CC1CC=CC(=O)O1)O","QPJTWGLLJWBDQW-KMMMXHTBSA-N",5471086,NA,"PDBC32954","708248","Present",NA,NA
+"32955","Calmagite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calmagite",NA,"CC1=CC(=C(C=C1)O)N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)O)O","VBRNLOQCBCPPHL-UHFFFAOYSA-N",2530,NA,"PDBC32955","299391","Present",NA,NA
+"32956","Calotropin (6CI, 8CI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pekilocerin a",NA,"CC1CC(C(=O)C(O1)OC2CC3CCC4C(C3(CC2O)C=O)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O","ZVXUSUPIDOSPHB-UATTZVLQSA-N",286106,NA,"PDBC32956","143925","Present",NA,NA
+"32957","Calusterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calusterone",NA,"CC1CC2=CC(=O)CCC2(C3C1C4CCC(C4(CC3)C)(C)O)C","IVFYLRMMHVYGJH-PVPPCFLZSA-N",28204,NA,"PDBC32957","88536","Present",NA,NA
+"32958","Calvatic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"calvatic acid",NA,"C1=CC(=CC=C1C(=O)O)[N+](=NC#N)[O-]","LDRFVNKBORCKQS-UHFFFAOYSA-N",99679,NA,"PDBC32958","264713","Present",NA,NA
+"32959","Calycopterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calycopterone",NA,"COC1CC(OC2=C(C(=C3C(=C12)OC45C3(C(=C(C(=O)C4=CCC(O5)C6=CC=CC=C6)OC)OC)OC)O)OC)C7=CC=CC=C7","CRTQTCGLSVSTRI-DVJPGHMYSA-N",101664521,NA,"PDBC32959","659548","Present",NA,NA
+"32960","Calyculin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calyculin A",NA,"CC1C(CC2(C(C(C(O2)C(CC(C(C)C(C(C)C=C(C)C(=CC=CC(=CC#N)C)C)O)O)OC)OP(=O)(O)O)(C)C)OC1CC=CC3=COC(=N3)C(C)CCNC(=O)C(C(C(COC)N(C)C)O)O)O","FKAWLXNLHHIHLA-RFIHQQHWSA-N",54608024,NA,"PDBC32960","611747","Present",NA,NA
+"32961","Calystegine B1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calystegine B1",NA,"C1C2C(CC(N2)(C(C1O)O)O)O","BQFFLYRIKODYEN-MLKOFDEISA-N",385736,NA,"PDBC32961","677084","Present",NA,NA
+"32962","Calystegine C1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calystegine C1",NA,"C1C(C2C(C(C(C1(N2)O)O)O)O)O","GGOJRYWHKVYFQK-BIWMIDHDSA-N",385737,NA,"PDBC32962","677085","Present",NA,NA
+"32963","Cambinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambinol",NA,"C1=CC=C(C=C1)C2=C(C(=O)NC(=S)N2)CC3=C(C=CC4=CC=CC=C43)O","RVNSQVIUFZVNAU-UHFFFAOYSA-N",3246390,NA,"PDBC32963","112546","Present",NA,NA
+"32964","Cambridge id 5133154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5133154",NA,"C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)C6=CC=CC=C6C4=O","UBEKWBZJHSHKCG-UHFFFAOYSA-N",375311,NA,"PDBC32964","654828","Present",NA,NA
+"32965","Cambridge id 5133753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5133753",NA,"C1C2CC34CC5(C2=NOC5=O)CC1C3=NOC4=O","TVSFAFGQDBXMHP-UHFFFAOYSA-N",389846,NA,"PDBC32965","686478","Present",NA,NA
+"32966","Cambridge id 5148800",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5148800",NA,"C1=CC=C2C(=C1)NC(=N2)SCC3=C(C(=C(C(=C3F)F)F)F)F","LXTKQRJZROGECH-UHFFFAOYSA-N",383505,NA,"PDBC32966","671890","Present",NA,NA
+"32967","Cambridge id 5180130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5180130",NA,"C1=CC=C(C(=C1)C#N)C2=NC3=C4C(=C(C=C3)N)C(=O)C5=CC=CC=C5C4=N2","VILAGAWWQBIENS-UHFFFAOYSA-N",438959,NA,"PDBC32967","686464","Present",NA,NA
+"32968","Cambridge id 5180653",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5180653",NA,"C1=CC=C(C(=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl)O","YHWKVEPWZDIOJF-UHFFFAOYSA-N",351549,NA,"PDBC32968","522131","Present",NA,NA
+"32969","Cambridge id 5217724",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5217724",NA,"C1C(CSC2=NC3=CC=CC=C3N21)O","BLOJMWLHCBDQHM-UHFFFAOYSA-N",380631,NA,"PDBC32969","666306","Present",NA,NA
+"32970","Cambridge id 5256213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5256213",NA,"C1=CC=C(C=C1)N2N=C(C(=N2)C(=O)O)C3=NN(N=C3C(=O)O)C4=CC=CC=C4","UNBAICFIWJSVJP-UHFFFAOYSA-N",379402,NA,"PDBC32970","663944","Present",NA,NA
+"32971","Cambridge id 5466455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5466455",NA,"CC1(CC(=CC(N1)(C)C)N2CCN(CC2)C3=CC(NC(C3)(C)C)(C)C)C","RZPLTVYMCOCISZ-UHFFFAOYSA-N",365211,NA,"PDBC32971","632539","Present",NA,NA
+"32972","Cambridge id 5538756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5538756",NA,"CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)Br","MEFLRTKTXNHKIP-UHFFFAOYSA-N",404499,NA,"PDBC32972","720736","Present",NA,NA
+"32973","Cambridge id 5635204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5635204",NA,"C1=CC=C2C3C4C(C(C2=C1)C5=CC=CC=C35)C(=O)NNC4=O","WCCPZQAFQNKUHF-UHFFFAOYSA-N",379883,NA,"PDBC32973","665075","Present",NA,NA
+"32974","Cambridge id 5657689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5657689",NA,"C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C(C#N)C4=NN(C(=C4C#N)N)C5=CC=CC=C5","LRZKIEKWDAVUJQ-RCCKNPSSSA-N",5286855,NA,"PDBC32974","717543","Present",NA,NA
+"32975","Cambridge id 5721799",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5721799",NA,"COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)O)C3CC3","FQLUIDLLIOYMAV-UHFFFAOYSA-N",398169,NA,"PDBC32975","707701","Present",NA,NA
+"32976","Cambridge id 5757267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5757267",NA,"CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C","JAZXGMOMEKJNCY-UHFFFAOYSA-N",367690,NA,"PDBC32976","637621","Present",NA,NA
+"32977","Cambridge id 5774470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5774470",NA,"CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","XIVBMYDTNXTQBA-UHFFFAOYSA-N",366864,NA,"PDBC32977","635843","Present",NA,NA
+"32978","Cambridge id 5865107",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5865107",NA,"C1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]","DBHIBEPVTUDKMX-UHFFFAOYSA-N",387741,NA,"PDBC32978","681770","Present",NA,NA
+"32979","Cambridge id 6415767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6415767",NA,"CC1(CC2=C(C(=O)C1)C3=CC(=C(C=C3O2)O)O)C","YPKVVPNXHVITTF-UHFFFAOYSA-N",363815,NA,"PDBC32979","629030","Present",NA,NA
+"32980","Cambridge id 6417192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6417192",NA,"CC1=CC=C(C=C1)NCC(=O)N2CC(=O)NC3=CC=CC=C32","HORFAQIEWUEEGR-UHFFFAOYSA-N",374860,NA,"PDBC32980","653320","Present",NA,NA
+"32981","Cambridge id 6755779",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6755779",NA,"C1=CC=C2C(=C1)C(=O)N3C(=N2)SC(=N3)N","XXSMSLADSNHBTN-UHFFFAOYSA-N",396304,NA,"PDBC32981","702028","Present",NA,NA
+"32982","Cambridge id 6884547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6884547",NA,"C1CN2C(=O)C3=C(N=C2SC1)OC4=C(C3=O)C=C(C=C4)Br","BZTSSXCAQQGXDN-UHFFFAOYSA-N",396091,NA,"PDBC32982","701615","Present",NA,NA
+"32983","Cambridge id 6894502",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6894502",NA,"C1CN2C(=O)C3=C(N=C2SC1)OC4=C(C3=O)C=C(C=C4)[N+](=O)[O-]","KKRXSFYSPVGSEZ-UHFFFAOYSA-N",396089,NA,"PDBC32983","701613","Present",NA,NA
+"32984","Cambridge id 6894852",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6894852",NA,"C1CN2C(=O)C3=C(N=C2SC1)OC4=C(C3=O)C=C(C=C4Cl)Cl","UPIIQVLFEGVESV-UHFFFAOYSA-N",396088,NA,"PDBC32984","701612","Present",NA,NA
+"32985","Cambridge id 6921328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6921328",NA,"COC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4","YVMCVAPSNQKBSD-UHFFFAOYSA-N",401590,NA,"PDBC32985","715286","Present",NA,NA
+"32986","Cambridge id 6948112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6948112",NA,"CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)C","YVMROIPMRPBCTR-UHFFFAOYSA-N",366464,NA,"PDBC32986","634924","Present",NA,NA
+"32987","Cambridge id 6981662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6981662",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)C","UYEJSNFETDFBSI-UHFFFAOYSA-N",403948,NA,"PDBC32987","719714","Present",NA,NA
+"32988","Cambridge id 6984668",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 6984668",NA,"COC1=CC=C(C=C1)C(=O)NCCC2=CCCCC2","ZGTNFZJYRNJFIV-UHFFFAOYSA-N",359385,NA,"PDBC32988","620194","Present",NA,NA
+"32989","Cambridge id 7301941",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 7301941",NA,"C1=CC2C(C(C1O2)C(=O)NCC3=CC=NC=C3)C(=O)O","NJOCHFDYBDTNNY-UHFFFAOYSA-N",240655,NA,"PDBC32989","47083","Present",NA,NA
+"32990","Camoform hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bialamicol",NA,"CCN(CC)CC1=CC(=CC(=C1O)CC=C)C2=CC(=C(C(=C2)CN(CC)CC)O)CC=C.Cl","CIOYANVFAIGJSS-UHFFFAOYSA-N",23616896,NA,"PDBC32990","6386","Present",NA,NA
+"32991","Camolar",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"camolar",NA,"CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O","FFUCUNIBSOIVIA-UHFFFAOYSA-N",11870,NA,"PDBC32991","77830","Present",NA,NA
+"32992","Camphor semicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-92939",NA,"CC1(C2CCC1(C(=NNC(=O)N)C2)C)C","QCEFOIDJHJPYIB-MDWZMJQESA-N",9556170,NA,"PDBC32992","670174","Present",NA,NA
+"32993","Camphoric anhydride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-Camphoric anhydride",NA,"CC1(C2CCC1(C(=O)OC2=O)C)C","VFZDNKRDYPTSTP-UHFFFAOYSA-N",94834,NA,"PDBC32993","657821","Present",NA,NA
+"32994","Campothecin analog",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606985",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN.Cl","DPGPIFODEPGGKB-UHFFFAOYSA-N",354677,NA,"PDBC32994","606985","Present",NA,NA
+"32995","Camptothecin glutamate HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC610459",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)C(CCC(=O)O)N.Cl","SYASZMQNOJFHDU-HPXLZEMXSA-N",11969672,NA,"PDBC32995","610459","Present",NA,NA
+"32996","Camptothecin hemisuccinate sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC610456",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CCC(=O)O.[Na+]","YRCRMPLVFWPTIU-JIDHJSLPSA-N",54598698,NA,"PDBC32996","610456","Present",NA,NA
+"32997","Camptothecin propylglycinate ester hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606498",NA,"CCCNCC(=O)OC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)CC.Cl","VYUPLCFEEDAYEN-UQIIZPHYSA-N",11969638,NA,"PDBC32997","606498","Present",NA,NA
+"32998","Camptothecin, 10-amino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10-aminocamptothecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)N)O","MVUUMBZAHAKPKQ-UHFFFAOYSA-N",190763,NA,"PDBC32998","369395","Present",NA,NA
+"32999","Camptothecin, N-methylglycinate ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606986",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CNC.Cl","BIBVWHFPHIJOTQ-UHFFFAOYSA-N",354679,NA,"PDBC32999","606986","Present",NA,NA
+"33000","Camptothecin,N-diethyl) glycinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC364830",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN(CC)CC.Cl","HGVXFMWXNAOLGL-SNYZSRNZSA-N",462186,NA,"PDBC33000","364830","Present",NA,NA
+"33001","Camptothecin-20-O-(N,N-dimethyl)glycinate HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC618939",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN(C)C.Cl","AHCBDZJRJCTEHB-JIDHJSLPSA-N",11969742,NA,"PDBC33001","618939","Present",NA,NA
+"33002","Camptothecinethylglycinate esterhydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606497",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CNCC.Cl","TTXKNULRBZAHTC-JIDHJSLPSA-N",489614,NA,"PDBC33002","606497","Present",NA,NA
+"33003","Cancell",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cancell",NA,NA,NA,NA,NA,"PDBC33003","637907","Present",NA,NA
+"33004","Candidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"candidine",NA,"C1=CC=C2C(=C1)C(=O)C(=C3C4=CC=CC=C4N5C3=NC6=CC=CC=C6C5=O)N2","DXENDDMPDZMHSQ-VXPUYCOJSA-N",5320815,NA,"PDBC33004","600586","Present",NA,NA
+"33005","Caparratriene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caparratriene",NA,"CC=C(C)C=CCC(C)CCC=C(C)C","GIBJEWOSWWYJSK-CKGOAGCQSA-N",5459291,NA,"PDBC33005","687745","Present",NA,NA
+"33006","Capri Blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"capri blue",NA,"CC[N+](=C1C=C2C(=NC3=C(O2)C=C(C=C3)N(C)C)C=C1C)CC.[Cl-]","QQOPAWAPLFHEEP-UHFFFAOYSA-M",102162,NA,"PDBC33006","7821","Present",NA,NA
+"33007","Capsicosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Capsicosin",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)OC9C(C(C(C(O9)CO)O)OC2C(C(C(C(O2)CO)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)C)OC1","RZWGPDBWOSUYCQ-ITAKGEODSA-N",401299,NA,"PDBC33007","714605","Present",NA,NA
+"33008","Caracemide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CARACEMIDE",NA,"CC(=O)N(C(=O)NC)OC(=O)NC","JURAJLFHWXNPHG-UHFFFAOYSA-N",54747,NA,"PDBC33008","253272","Present",NA,NA
+"33009","Carbacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbacrone",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)C(=O)O","NKZNDEYRBDVABF-UHFFFAOYSA-N",364455,NA,"PDBC33009","630716","Present",NA,NA
+"33010","Carbamic acid, (1-methylethyl)-, (5-(3,4-dichlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl)bis(methylene) ester (9CI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"carbamic acid, (1-methylethyl)-, [5-(3,4-dichlorophenyl)...",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC(=C(C=C3)Cl)Cl","CCBHSPUYWZHDFX-UHFFFAOYSA-N",100267,NA,"PDBC33010","278214","Present",NA,NA
+"33011","Carbamic acid, (1-methylethyl)-, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl N-propan-2-ylcarbamate",NA,"CC(C)NC(=O)OCCN=C1C2=CC=CC=C2C=CC3=CC=CC=C31","IECGKWRLGJIQFF-UHFFFAOYSA-N",382519,NA,"PDBC33011","670128","Present",NA,NA
+"33012","Carbamic acid, (1-methylethyl)-, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-propan-2-ylcarbamate",NA,"CC(C)NC(=O)OCCN=C1C2=CC=CC=C2C(C(C3=CC=CC=C31)Br)Br","GEDQZXAQISYCPQ-UHFFFAOYSA-N",382522,NA,"PDBC33012","670131","Present",NA,NA
+"33013","Carbamic acid, (1-methylethyl)-, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl N-propan-2-ylcarbamate",NA,"CC(C)NC(=O)OCCN=C1C2=CC=CC=C2CCC3=CC=CC=C31","RCIFFPDFCCUSJX-UHFFFAOYSA-N",382516,NA,"PDBC33013","670125","Present",NA,NA
+"33014","Carbamic acid, (2-piperazinylethyl)dithio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, (2-piperazinylethyl)dithio-",NA,"C1CN(CCN1)CCNC(=S)S","HDEIZYCKHOUEEH-UHFFFAOYSA-N",3032930,NA,"PDBC33014","42352","Present",NA,NA
+"33015","Carbamic acid, (5,6,7,9-tetrahydro-10-(methylthio)-9-oxo-1,2,3-trimethoxybenzo(a)heptalen-7-yl)-, ethyl ester, (S)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [5,6,7,9-tetrahydro-1,2,3-trimethoxy-10-(...",NA,"CCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","SMEGTTUCKYOLLP-INIZCTEOSA-N",44567,NA,"PDBC33015","249278","Present",NA,NA
+"33016","Carbamic acid, (5-amino-3-(2,4-dichlorophenyl)-1,2-dihydropyrido(3,4-b)pyrazin-7-yl)-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [5-amino-3-(2,4-dichlorophenyl)-1,2-dihyd...",NA,"CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=C(C=C(C=C3)Cl)Cl)N","CPDQUPLLEBTHKX-UHFFFAOYSA-N",100668,NA,"PDBC33016","341931","Present",NA,NA
+"33017","Carbamic acid, (5-amino-3-phenyl-2H-pyrido(4,3-b)-1,4-oxazin-7-yl)-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, (5-amino-3-phenyl-2H-pyrido[4,3-b]-1,4-ox...",NA,"CCOC(=O)NC1=NC(=C2C(=C1)OCC(=N2)C3=CC=CC=C3)N","QRMBOSPEQFQJFS-UHFFFAOYSA-N",100678,NA,"PDBC33017","344270","Present",NA,NA
+"33018","Carbamic acid, 1,4-butanediylbis[[3-[(phenylacetyl)amino]propyl]-, phenylmethyl phenylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, 1,4-butanediylbis[[3-[(phenylacetyl)amino]propyl]-, phenylmethyl phenylmethyl ester",NA,"C1=CC=C(C=C1)CC(=O)NCCCN(CCCCN(CCCNC(=O)CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","NFLSUCUXQVHATQ-UHFFFAOYSA-N",389629,NA,"PDBC33018","685974","Present",NA,NA
+"33019","Carbamic acid, 1H,3H,5H-oxazolo[3,4-c]oxazol-7a(7H)-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [(4-methylphenyl)sulfonyl]-, 1H,3H,5H-oxa...",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC23COCN2COC3","RLBULIYWGRDYSG-UHFFFAOYSA-N",330964,NA,"PDBC33019","320870","Present",NA,NA
+"33020","Carbamic acid, 4-cyclohexene-1,2-diylbis-, bis(1,1-dimethylethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[6-(tert-butoxycarbonylamino)cyclohex-3-en-1-yl]carbamate",NA,"CC(C)(C)OC(=O)NC1CC=CCC1NC(=O)OC(C)(C)C","IBBVWOZAKKWMOG-UHFFFAOYSA-N",384583,NA,"PDBC33020","674596","Present",NA,NA
+"33021","Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)propyl]amino]carbonyl]-3-methylbutyl]-, phenylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [1-[[[3-chloro-2-oxo-1-(phenylmethyl)prop...",NA,"CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CCl)NC(=O)OCC2=CC=CC=C2","UUJYJBKBCDBZBV-UHFFFAOYSA-N",299925,NA,"PDBC33021","173904","Present",NA,NA
+"33022","Carbamic acid, [5-(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-6,7-diyl]bis(methylene) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, (1-methylethyl)-, [5-(4-chlorophenyl)-2,3...",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=C(C=C3)Cl","LWBRTXHWARELLI-UHFFFAOYSA-N",337614,NA,"PDBC33022","356244","Present",NA,NA
+"33023","Carbamic acid, [[1-[2-[[2-[[2-[4-[2-[5-amino-4-(aminocarbonyl)-2-methyl-1H-imidazol-1-yl]ethyl]-1-piperazinyl]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinyl]carbonyl]-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[2-[[2-[[2-[4-[2-(5-amino-4-carbamoyl-2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CC(=O)NCC(=O)NCC(=O)N2CCN(CC2)CCN3C(=NC(=C3N)C(=O)N)C","LCURSPYXRYAJBT-UHFFFAOYSA-N",362827,NA,"PDBC33023","627184","Present",NA,NA
+"33024","Carbamic acid, butyl-, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, butyl-, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)ethyl ester",NA,"CCCCNC(=O)OCCN=C1C2=CC=CC=C2C=CC3=CC=CC=C31","KSNRSZDXKRCVPJ-UHFFFAOYSA-N",382518,NA,"PDBC33024","670127","Present",NA,NA
+"33025","Carbamic acid, butyl-, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-butylcarbamate",NA,"CCCCNC(=O)OCCN=C1C2=CC=CC=C2C(C(C3=CC=CC=C31)Br)Br","BQJOURWTNCHPKQ-UHFFFAOYSA-N",382521,NA,"PDBC33025","670130","Present",NA,NA
+"33026","Carbamic acid, methylnitroso-2,5-dioxo-1-pyrrolidinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICIG 1732",NA,"CN(C(=O)ON1C(=O)CCC1=O)N=O","HOLCTFBQQQICEX-UHFFFAOYSA-N",54560,NA,"PDBC33026","641079","Present",NA,NA
+"33027","Carbamic acid, thiol-, (6-quinolylcarbamoyl)methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, thiol-, (6-quinolylcarbamoyl)methyl ester",NA,"C1=CC2=C(C=CC(=C2)NC(=O)CSC(=O)N)N=C1","QHLDTZSGYPBOIJ-UHFFFAOYSA-N",235405,NA,"PDBC33027","36738","Present",NA,NA
+"33028","Carbamic acid,2-dihydro-3-(2-naphthalenyl)pyrido[3,4-b]pyrazin-7-yl]-, ethyl ester, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [5-amino-1,2-dihydro-3-(2-naphthalenyl)py...",NA,"CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC4=CC=CC=C4C=C3)N.Cl","XYGCTNPYLFHJFY-UHFFFAOYSA-N",54599668,NA,"PDBC33028","347217","Present",NA,NA
+"33029","Carbamic acid,9-dichloro-2,8-dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl)-, 1,1-dimethylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, (7,9-dichloro-2,8-dioxo-1-oxaspiro[4.5]de...",NA,"CC(C)(C)OC(=O)NC1CC2(C=C(C(=O)C(=C2)Cl)Cl)OC1=O","CBYOCXODWUSVKK-VIFPVBQESA-N",371584,NA,"PDBC33029","645976","Present",NA,NA
+"33030","Carbamimidothioic acid, (4-oxo-2-phenyl-4H-1-benzopyran-8-yl)methyl ester, monohydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamimidothioic acid, (4-oxo-2-phenyl-4H-1-benzopyran-...",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)CSC(=N)N","GMHJYNAZNWGOAK-UHFFFAOYSA-N",431425,NA,"PDBC33030","293046","Present",NA,NA
+"33031","Carbamimidothioic acid, N'-(2-furanylcarbonyl)-N-phenyl-, methylene ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[N-(Furan-2-carbonyl)-N'-phenylcarbamimidoyl]sulfanylmethyl N-(furan-2-carbonyl)-N'-phenylcarbamimidothioate",NA,"C1=CC=C(C=C1)N=C(NC(=O)C2=CC=CO2)SCSC(=NC3=CC=CC=C3)NC(=O)C4=CC=CO4","JELMGUXVCOPGJD-UHFFFAOYSA-N",135503446,NA,"PDBC33031","633181","Present",NA,NA
+"33032","Carbamimidothioic acid, N'-benzoyl-N-phenyl-, 1,2-ethanediyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamimidothioic acid, N'-benzoyl-N-phenyl-, 1,2-ethanediyl ester",NA,"C1=CC=C(C=C1)C(=O)NC(=NC2=CC=CC=C2)SCCSC(=NC3=CC=CC=C3)NC(=O)C4=CC=CC=C4","LWYAIWFLGDALAP-UHFFFAOYSA-N",135412385,NA,"PDBC33032","633180","Present",NA,NA
+"33033","Carbamimidothioic acid, N-phenyl-N'-(2-thienylcarbonyl)-, 1,2-ethanediyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[N'-Phenyl-N-(thiophene-2-carbonyl)carbamimidoyl]sulfanylethyl N'-phenyl-N-(thiophene-2-carbonyl)carbamimidothioate",NA,"C1=CC=C(C=C1)N=C(NC(=O)C2=CC=CS2)SCCSC(=NC3=CC=CC=C3)NC(=O)C4=CC=CS4","KBBGONUFUDTDLC-UHFFFAOYSA-N",135415723,NA,"PDBC33033","633182","Present",NA,NA
+"33034","Carbamimidothioic acid,2,4-oxadiazol-5-yl]methyl ester, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamimidothioic acid, [3-(4-chlorophenyl)-1,2,4-oxadia...",NA,"C1=CC(=CC=C1C2=NOC(=N2)CSC(=N)N)Cl.Cl","FQOWGRDYETTXQY-UHFFFAOYSA-N",16667440,NA,"PDBC33034","310342","Present",NA,NA
+"33035","Carbamimidothioic acid,N-dimethyl-N'-[(phenylimino) (methylthio)methyl]-, phenylmethyl ester, hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamimidothioic acid, N,N-dimethyl-N'-[(phenylimino) (...",NA,"CN(C)C(=NC(=NC1=CC=CC=C1)SC)SCC2=CC=CC=C2.I","GLYBAERSCQCHDX-IOVNUJLDSA-N",9569856,NA,"PDBC33035","622579","Present",NA,NA
+"33036","Carbamodithioic acid, (3,4-difluorophenyl)-, 1,3-benzodioxol-5-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamodithioic acid, (3,4-difluorophenyl)-, 1,3-benzodi...",NA,"C1OC2=C(O1)C=C(C=C2)CSC(=S)NC3=CC(=C(C=C3)F)F","WLWHSXMMMWAQIS-UHFFFAOYSA-N",3949653,NA,"PDBC33036","268918","Present",NA,NA
+"33037","Carbamodithioic acid, diester with 1,4-piperazinediylbis(2-methyl-5-nitro-4-pyrimidinyl-6-thiol)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamodithioic acid, dipropyl-, diester with 1,4-pipera...",NA,"CCCN(CCC)C(=S)SC1=NC(=NC(=C1[N+](=O)[O-])N2CCN(CC2)C3=C(C(=NC(=N3)C)SC(=S)N(CCC)CCC)[N+](=O)[O-])C","SSPQQHSNNOMMED-UHFFFAOYSA-N",384902,NA,"PDBC33037","675593","Present",NA,NA
+"33038","Carbamodithioic acid, dimethyl-, 2,4-dinitrophenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Usaf Sn-31",NA,"CN(C)C(=S)SC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","AIWZJEMZVHJAQB-UHFFFAOYSA-N",6967,NA,"PDBC33038","11461","Present",NA,NA
+"33039","Carbamothioic acid, (4-chloro-3-((2-methyl-2-propenyl)oxy)phenyl)-, O-(1-methylethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamothioic acid, [4-chloro-3-(2-methyl-2-propenyloxy)...",NA,"CC(C)OC(=S)NC1=CC(=C(C=C1)Cl)OCC(=C)C","LOMVTCOKAXFOMA-UHFFFAOYSA-N",3001554,NA,"PDBC33039","650059","Present",NA,NA
+"33040","Carbamothioic acid, 1-methylethyl ester, (E,Z mixture)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamothioic acid, [4-chloro-3-(2-butenyloxy)phenyl]-, ...",NA,"CC=CCOC1=C(C=CC(=C1)NC(=S)OC(C)C)Cl.CC=CCOC1=C(C=CC(=C1)NC(=S)OC(C)C)Cl","CUADSUNBLWURTR-RIPGEZAJSA-N",5466896,NA,"PDBC33040","645115","Present",NA,NA
+"33041","Carbamothioic acid, 2-propenyl-, O-decyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-decyl N-allylcarbamothioate",NA,"CCCCCCCCCCOC(=S)NCC=C","STIGPEOTGZPQSP-UHFFFAOYSA-N",3002079,NA,"PDBC33041","627366","Present",NA,NA
+"33042","Carbamothioic acid, S-[2-(2,6-dichlorophenyl)-1-oxo-1H-inden-3-yl] ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamothioic acid, dimethyl-, S-[2-(2,6-dichlorophenyl)...",NA,"CN(C)C(=O)SC1=C(C(=O)C2=CC=CC=C21)C3=C(C=CC=C3Cl)Cl","SQEJLJCVAKTETI-UHFFFAOYSA-N",333069,NA,"PDBC33042","332837","Present",NA,NA
+"33043","Carbamothioic acid, methyl-, S-decyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamothioic acid, methyl-, S-decyl ester",NA,"CCCCCCCCCCSC(=O)NC","IRBDYFXHROCYNN-UHFFFAOYSA-N",362880,NA,"PDBC33043","627352","Present",NA,NA
+"33044","Carbanide;1,3-diphenylpropane-1,3-dione;tin(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644919",NA,"[CH3-].[CH3-].[CH3-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Sn+4]","AJFFVEOMHMDHTP-UHFFFAOYSA-N",371033,NA,"PDBC33044","644919","Present",NA,NA
+"33045","Carbanide;palladium;1,10-phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbanide;palladium;1,10-phenanthroline",NA,NA,NA,NA,NA,"PDBC33045","676735","Present",NA,NA
+"33046","Carbanilide, 4,4''-oxybis[2'-chloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbanilide, 4,4''-oxybis[2'-chloro-",NA,"C1=CC=C(C(=C1)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4Cl)Cl","YIOOFDZGTGOZSB-UHFFFAOYSA-N",255326,NA,"PDBC33046","80731","Present",NA,NA
+"33047","Carbanilide, 4,4''-oxybis[4'-cyano-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbanilide, 4,4''-oxybis[4'-cyano-",NA,"C1=CC(=CC=C1C#N)NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)C#N","NKTXGJQCHFJKQJ-UHFFFAOYSA-N",255329,NA,"PDBC33047","80734","Present",NA,NA
+"33048","Carbanilide, 4,4''-oxybis[4'-nitro",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbanilide, 4,4''-oxybis[4'-nitro",NA,"C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","GXCFQNUEHPMLFI-UHFFFAOYSA-N",255330,NA,"PDBC33048","80735","Present",NA,NA
+"33049","Carbanilide, N-benzylthio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbanilide, N-benzylthio- (8CI)",NA,"C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=S)NC3=CC=CC=C3","ZDBPEGOAAIRGTO-UHFFFAOYSA-N",3933957,NA,"PDBC33049","131977","Present",NA,NA
+"33050","Carbazic acid, 3-(2,4,6-trichlorophenyl)-, isopropyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbazic acid, 3-(2,4,6-trichlorophenyl)-, isopropyl ester",NA,"CC(C)OC(=O)NNC1=C(C=C(C=C1Cl)Cl)Cl","DNUJAWBFJBUZSY-UHFFFAOYSA-N",348947,NA,"PDBC33050","408470","Present",NA,NA
+"33051","Carbendazim",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzimate",NA,"COC(=O)NC1=NC2=CC=CC=C2N1","TWFZGCMQGLPBSX-UHFFFAOYSA-N",25429,NA,"PDBC33051","109874","Present",NA,NA
+"33052","Carbenoxolone disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbenoxolone disodium salt",NA,"CC1(C2CCC3(C(C2(CCC1OC(=O)CCC(=O)[O-])C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)[O-])C)C)C)C","OBZHEBDUNPOCJG-WBXJDKIVSA-L",24776149,NA,"PDBC33052","800529","Present",NA,NA
+"33053","Carbethoxy propionyldithranol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbethoxy propionyldithranol",NA,"CCOC(=O)CCC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=CC=C3O","NPVYNFQZZZKDEI-UHFFFAOYSA-N",365584,NA,"PDBC33053","633383","Present",NA,NA
+"33054","Carbohydrazide, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbohydrazide, 1-(2-pyridylmethylene)-3-thio-, dihydroc...",NA,"C1=CC=NC(=C1)C=NNC(=S)NN.Cl","LIBMQPGFLGOTSF-OAZHBLANSA-N",54610180,NA,"PDBC33054","146377","Present",NA,NA
+"33055","Carboline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carboline",NA,"COC(=O)C1CC2=C(C(N1)C3=CC(=CC=C3)O)NC4=CC=CC=C24","OVGJDGSIHKLNQM-UHFFFAOYSA-N",402922,NA,"PDBC33055","717308","Present",NA,NA
+"33056","Carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbon monoxide; 8-ethoxy-1,3a,8,8a-tetrahydroazulene; iron; triphenylphosphane; hexafluorophosphate",NA,NA,NA,NA,NA,"PDBC33056","649306","Present",NA,NA
+"33057","Carbon monoxide; cyclopentane; 1-ethoxy-3a-methyl-azulen-4-one; iron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbon monoxide; cyclopentane; 1-ethoxy-3a-methyl-azulen-4-one; iron",NA,NA,NA,NA,NA,"PDBC33057","649307","Present",NA,NA
+"33058","Carbon monoxide; cyclopentane; iron; 1-methylazulene; oxoniumylidynemethyliron; hexafluorophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbon monoxide; cyclopentane; iron; 1-methylazulene; oxoniumylidynemethyliron; hexafluorophosphate",NA,NA,NA,NA,NA,"PDBC33058","649305","Present",NA,NA
+"33059","Carbon monoxide;[difluorophosphaniumyl(methyl)amino]-difluorophosphanium;iron;methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC294858",NA,"CN([PH+](F)F)[PH+](F)F.CN([PH+](F)F)[PH+](F)F.[CH-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Fe].[Fe]","FRZQLSVLGWTWCT-UHFFFAOYSA-R",54598766,NA,"PDBC33059","294858","Present",NA,NA
+"33060","Carbon monoxide;chromium;1-nitro-4-(2-phenylethenyl)benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673824",NA,"[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C=CC2=CC=C(C=C2)[N+](=O)[O-].[Cr]","SRLQAACFXCMWLK-UHFFFAOYSA-N",54608680,NA,"PDBC33060","673824","Present",NA,NA
+"33061","Carbon monoxide;chromium;2,3,4,5-tetrahydropyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbon monoxide;chromium;2,3,4,5-tetrahydropyran",NA,NA,NA,NA,NA,"PDBC33061","648860","Present",NA,NA
+"33062","Carbon monoxide;chromium;4-(trifluoromethyl)benzaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673822",NA,"[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC(=CC=C1C=O)C(F)(F)F.[Cr]","FBCIHEZBWHIDJI-UHFFFAOYSA-N",54608679,NA,"PDBC33062","673822","Present",NA,NA
+"33063","Carbon monoxide;chromium;ethoxymethylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbon monoxide;chromium;ethoxymethylbenzene",NA,NA,NA,NA,NA,"PDBC33063","648858","Present",NA,NA
+"33064","Carbon monoxide;ethoxymethylbenzene;tungsten",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbon monoxide;ethoxymethylbenzene;tungsten",NA,NA,NA,NA,NA,"PDBC33064","648859","Present",NA,NA
+"33065","Carbonic acid, 1-methyl-1-(1-methyl-2-nitro-1H-imidazol-5-yl)ethyl phenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"carbonic acid, 1-methyl-1-(1-methyl-2-nitro-1h-imidazol-...",NA,"CC(C)(C1=CN=C(N1C)[N+](=O)[O-])OC(=O)OC2=CC=CC=C2","KUOKVKLNRUSHGT-UHFFFAOYSA-N",100531,NA,"PDBC33065","315575","Present",NA,NA
+"33066","Carbonic acid, 1-methyl-4-phenyl-4-piperidyl phenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-52088",NA,"CN1CCC(CC1)(C2=CC=CC=C2)OC(=O)OC3=CC=CC=C3","JAWVTCCRYNKTAD-UHFFFAOYSA-N",58324,NA,"PDBC33066","665332","Present",NA,NA
+"33067","Carbonic acid, ethyl 1-methyl-4-phenyl-4-piperidyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-52046",NA,"CCOC(=O)OC1(CCN(CC1)C)C2=CC=CC=C2","JWKBEONLEADIMJ-UHFFFAOYSA-N",58320,NA,"PDBC33067","665331","Present",NA,NA
+"33068","Carbonic dihydrazide, bis[(2,3-dihydroxyphenyl)methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbonic dihydrazide, bis[(2,3-dihydroxyphenyl)methylene]-",NA,"C1=CC(=C(C(=C1)O)O)C=NNC(=O)NN=CC2=C(C(=CC=C2)O)O","YFXPZEDNDVXKBH-GDWCLCACSA-N",135429886,NA,"PDBC33068","294126","Present",NA,NA
+"33069","Carbonic dihydrazide,5-dibromo-2-hydroxyphenyl)methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbonic dihydrazide, bis[(3,5-dibromo-2-hydroxyphenyl)m...",NA,"C1=C(C=C(C(=C1C=NNC(=O)NN=CC2=C(C(=CC(=C2)Br)Br)O)O)Br)Br","DMJYGRCLCIVOBV-BDCNUIQJSA-N",135452432,NA,"PDBC33069","201628","Present",NA,NA
+"33070","Carbonimidodithioic acid,3,4-thiadiazol-2-yl]-, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbonimidodithioic acid, [5-(4-nitrophenyl)-1,3,4- thia...",NA,"CSC(=NC1=NN=C(S1)C2=CC=C(C=C2)[N+](=O)[O-])SC","KTVGLBHWWUQRIR-UHFFFAOYSA-N",359462,NA,"PDBC33070","620327","Present",NA,NA
+"33071","Carbonodithioimidic acid, (2-chlorobenzoyl)-, 1,2-ethanediyl methyl methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbonodithioimidic acid, (2-chlorobenzoyl)-, 1,2-ethanediyl methyl methyl ester",NA,"CSC(=NC(=O)C1=CC=CC=C1Cl)SCCSC(=NC(=O)C2=CC=CC=C2Cl)SC","HZAJOMRQIIYYTE-UHFFFAOYSA-N",365498,NA,"PDBC33071","633178","Present",NA,NA
+"33072","Carbonodithioimidic acid, benzoyl-, 1,2-ethanediyl methyl methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbonodithioimidic acid, benzoyl-, 1,2-ethanediyl methyl methyl ester",NA,"CSC(=NC(=O)C1=CC=CC=C1)SCCSC(=NC(=O)C2=CC=CC=C2)SC","JIGNBDBBGJSZTO-UHFFFAOYSA-N",365499,NA,"PDBC33072","633179","Present",NA,NA
+"33073","Carbonotrithioic acid,3,5,6-tetrachloro-4-pyridinyl-, 1-methylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbonotrithioic acid, 2,3,5,6-tetrachloro-4-pyridinyl-,...",NA,"CC(C)SC(=S)SC1=C(C(=NC(=C1Cl)Cl)Cl)Cl","HNSSCORUAIQCTQ-UHFFFAOYSA-N",399833,NA,"PDBC33073","710969","Present",NA,NA
+"33074","Carboquone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carboqone; Carbazilquinone",NA,"CC1=C(C(=O)C(=C(C1=O)N2CC2)C(COC(=O)N)OC)N3CC3","SHHKQEUPHAENFK-UHFFFAOYSA-N",2569,NA,"PDBC33074","134679","Present",NA,NA
+"33075","Carboxymethyl ethylxanthate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"carboxymethyl ethylxanthate",NA,"CCOC(=S)SCC(=O)O","CZLONQRTHUAGMG-UHFFFAOYSA-N",33055,NA,"PDBC33075","85743","Present",NA,NA
+"33076","Carboxyphthalato platinum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carboxyphthalatoplatinum///Carboxyphthalato platinum",NA,"C1CCC(C(C1)[NH-])[NH-].C1=CC(=C(C=C1C(=O)O)C(=O)O)C(=O)O.[Pt+2]","IDNIKXCEUZXOCR-UHFFFAOYSA-N",6419850,NA,"PDBC33076","271674///357092","Present",NA,NA
+"33077","Cardenolide 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cardenolide 2",NA,"CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4C=CC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O","YRCCUUYOXFAUMW-NYCXNGLCSA-N",388098,NA,"PDBC33077","682561","Present",NA,NA
+"33078","Cardiac glycoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cardiac glycoside",NA,NA,NA,NA,NA,"PDBC33078","116878","Present",NA,NA
+"33079","Cardiodine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cardiodine",NA,"CC(C)C(=O)OC1C(=C)C2(CC3C14CC5(C6C7(CCCC6(C4C2O)C3N5C7)C)O)O","XSDJVVZNKHIOBC-RVPDCARASA-N",54611290,NA,"PDBC33079","679831","Present",NA,NA
+"33080","Cardiopetaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cardiopetaline",NA,"CCN1CC2(CCC(C34C2CC(C31)C5(CCC6CC4C5C6O)O)O)C","RQWUCKAGEHUROY-XKPOVMHPSA-N",5459237,NA,"PDBC33080","656730","Present",NA,NA
+"33081","Carfenazine maleate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carphenazine Maleate",NA,"CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO.C(=CC(=O)O)C(=O)O","ZQYMISSXVDTVFZ-BTJKTKAUSA-N",20838085,NA,"PDBC33081","71755","Present",NA,NA
+"33082","Carfilzomib (PR-171) (combination with valproic acid)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carfilzomib (PR-171) (combination with valproic acid)","carfilzomib",NA,NA,NA,NA,NA,NA,"PDBC33082",NA,"Absent",NA,NA
+"33083","Caricotamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caricotamide",NA,"C1C=CN(C=C1C(=O)N)CC(=O)N","WEJRSYKFMCUCRQ-UHFFFAOYSA-N",403128,NA,"PDBC33083","717765","Present",NA,NA
+"33084","Carinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"staticin",NA,"C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)C(=O)O","ZOFLWJXPXAHZLI-UHFFFAOYSA-N",10825,NA,"PDBC33084","18778","Present",NA,NA
+"33085","Carindapen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbenicillin Disodium",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)O)C(=O)O)C.[Na+]","CNLSIVKXSBRGQP-UHFFFAOYSA-N",18406186,NA,"PDBC33085","111071","Present",NA,NA
+"33086","Carmethizole hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-4,5-dimethanol, 1-methyl-2-(methylthio)-, b...",NA,"CNC(=O)OCC1=C(N(C(=N1)SC)C)COC(=O)NC.Cl","ZUIGQZNTMIGKHP-UHFFFAOYSA-N",198720,NA,"PDBC33086","602668","Present",NA,NA
+"33087","Carmoisine L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fast red vr",NA,"C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)O)O.[Na+]","IAGRWWJQLXMIOZ-UHFFFAOYSA-N",135422058,NA,"PDBC33087","47716","Present",NA,NA
+"33088","Carnocin CP 5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carnocin CP 5",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[N-]C2C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC=CC=C4","QGGNFPVBCAGWRP-UHFFFAOYSA-N",389574,NA,"PDBC33088","685881","Present",NA,NA
+"33089","Carnosic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carnosic acid",NA,"CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)O","QRYRORQUOLYVBU-VBKZILBWSA-N",65126,NA,"PDBC33089","694080","Present",NA,NA
+"33090","Carnosic acid 12-methyl ether-gamma-lactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carnosic acid 12-methyl ether-.gamma.-lactone",NA,"CC(C)C1=C(C2=C3C(=C1)CCC4C3(CCCC4(C)C)C(=O)O2)OC","SRVNMMQHMRWDTR-MZVUKIKXSA-N",375087,NA,"PDBC33090","654100","Present",NA,NA
+"33091","Carnosol O-quinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carnosol o-quinone",NA,"CC(C)C1=CC2=C(C(=O)C1=O)C34CCCC(C3CC2OC4=O)(C)C","MWAYCDXOVYWQPR-UHFFFAOYSA-N",323275,NA,"PDBC33091","282173","Present",NA,NA
+"33092","Carquniostatin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carquniostatin B",NA,"CC1=C(C2=C(C3=C(N2)C=CC(=C3)CC=C(C)C)C(=O)C1=O)C(C(C)O)O","YUNXXJUUIKKYDM-UHFFFAOYSA-N",380452,NA,"PDBC33092","666034","Present",NA,NA
+"33093","Cartilagineol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cartilagineol",NA,"CC1(C(C(CC(=C)C12CCC(C(C2)Br)(C)Cl)O)Br)C","KKDUTGUFMQDATD-LJURCNODSA-N",396684,NA,"PDBC33093","703202","Present",NA,NA
+"33094","Carvone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"carvol",NA,"CC1=CCC(CC1=O)C(=C)C","ULDHMXUKGWMISQ-UHFFFAOYSA-N",7439,NA,"PDBC33094","6275","Present",NA,NA
+"33095","Caryolane-1,9beta-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caryolane-1,9.beta.-diol",NA,"CC1(CC2C1CCC3(CC2(CCC3O)O)C)C","SFJOMLIUSIKKRA-BIBFLFFFSA-N",382536,NA,"PDBC33095","670146","Present",NA,NA
+"33096","Caryolane-1-ol-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caryolane-1-ol-9-one",NA,"CC1(CC2C1CCC3(CC2(CCC3=O)O)C)C","IENXBWLABXSOLK-HYMRGOADSA-N",382537,NA,"PDBC33096","670147","Present",NA,NA
+"33097","Carzelesin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carzelesin",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(O2)C(=O)NC3=CC4=C(C=C3)NC(=C4)C(=O)N5CC(C6=C7C(=CNC7=C(C=C65)OC(=O)NC8=CC=CC=C8)C)CCl","BBZDXMBRAFTCAA-UHFFFAOYSA-N",358898,NA,"PDBC33097","619029","Present",NA,NA
+"33098","Carzenide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dirnate",NA,"C1=CC(=CC=C1C(=O)O)S(=O)(=O)N","UCAGLBKTLXCODC-UHFFFAOYSA-N",8739,NA,"PDBC33098","22976","Present",NA,NA
+"33099","CaserinJ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CaserinJ",NA,"CCCC(=O)OC1C(C(C2CC(C=C3C2(C1O)C(OC3OC(=O)CCC)OC(=O)C)OC)(C)CC=C(C)C=C)C","SBQNYWSGQZHIRT-YRPGVFIESA-N",15071260,NA,"PDBC33099","785588","Present",NA,NA
+"33100","Cassaine, sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cassaine",NA,"CC1C2C(CCC1=CC(=O)OCCN(C)C)C3(CCC(C(C3CC2=O)(C)C)O)C.OS(=O)(=O)O","IVYNQROYSGOIQF-FSBQAMRBSA-N",54603654,NA,"PDBC33100","72302","Present",NA,NA
+"33101","Casuarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Casuarine",NA,"C1C(C(C2N1C(C(C2O)O)O)O)O","DMJPCXQMRXENTO-ISRSUCOTSA-N",384347,NA,"PDBC33101","674050","Present",NA,NA
+"33102","Casuarine-6-alpha-glucoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Casuarine-6-.alpha.-glucoside",NA,"C1C(C(C2N1C(C(C2O)O)O)O)OC3C(C(C(C(O3)CO)O)O)O","WSBUKJDMDSTRNO-MFFQQJCYSA-N",384348,NA,"PDBC33102","674051","Present",NA,NA
+"33103","Catharanthine hcl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"catharanthine hcl",NA,"CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC","CMKFQVZJOWHHDV-UHFFFAOYSA-N",418553,NA,"PDBC33103","102004","Present",NA,NA
+"33104","Caulerpenyne from the brown alga Cystoseira algeriensis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caulerpenyne  from the brown alga Cystoseira algeriensis",NA,"CC(=CC#CC(=CCC(C(=COC(=O)C)C=COC(=O)C)OC(=O)C)C)C","INZBEAIXTUMDIW-MYHQMOGVSA-N",11314817,NA,"PDBC33104","605986","Present",NA,NA
+"33105","Caulerpin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"caulerpin",NA,"COC(=O)C1=CC2=C(C(=CC3=C1NC4=CC=CC=C43)C(=O)OC)NC5=CC=CC=C52","PVWALMHWUOWPPA-RPLHEXBESA-N",5326018,NA,"PDBC33105","719624","Present",NA,NA
+"33106","Caulophylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CYTISINE, 3-METHYL-",NA,"CN1CC2CC(C1)C3=CC=CC(=O)N3C2","CULUKMPMGVXCEI-UHFFFAOYSA-N",234566,NA,"PDBC33106","34656","Present",NA,NA
+"33107","Cayaponoside A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside A",NA,"CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(=O)CCC(C)(C)OC(=O)C)O)O)C","QZFOQGMIOQEBCV-SNJGVXGYSA-N",386941,NA,"PDBC33107","680103","Present",NA,NA
+"33108","Cayaponoside A1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside A1",NA,"CC1=C(C(=O)CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)CCC(C)(C)OC(=O)C)O)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O","UVEXLTMACAFYPX-TZSFBENTSA-N",386942,NA,"PDBC33108","680104","Present",NA,NA
+"33109","Cayaponoside A3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside A3",NA,"CCCCOC(C)(C)C=CC(C(C)(C1C(CC2(C1(CC(=O)C3(C2CCC4=C(C(=C(C=C43)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)C)C)O)O)O","LCXFFITUZZAMLZ-KTIIOQCWSA-N",5468956,NA,"PDBC33109","680105","Present",NA,NA
+"33110","Cayaponoside A4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside A4",NA,"CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C6CCC(O6)(C)C)O)O)C","HMXNIPSOVOGTHL-GFJICDGUSA-N",386944,NA,"PDBC33110","680106","Present",NA,NA
+"33111","Cayaponoside A6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside A6",NA,"CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(=O)CCC(=C)C)O)O)C","XHKWOUAMLFAYJL-VYYJYFBUSA-N",386945,NA,"PDBC33111","680107","Present",NA,NA
+"33112","Cayaponoside B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside B",NA,"CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(C=CC(=C)C)O)O)O)C","LGFDUXHZEFIFMU-BDZDJTEESA-N",5468957,NA,"PDBC33112","680108","Present",NA,NA
+"33113","Cayaponoside B2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside B2",NA,"CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(CCC(=C)C)O)O)O)C","VILWEPWHNCHBKN-IWTOQHGASA-N",386947,NA,"PDBC33113","680109","Present",NA,NA
+"33114","Cayaponoside B3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside B3",NA,"CC(=CCC(C(C)(C1C(CC2(C1(CC(=O)C3(C2CCC4=CC(=C(C=C43)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)C)O)O)O)C","AEIXRUJEKNYFHG-IFDDHIJESA-N",386948,NA,"PDBC33114","680110","Present",NA,NA
+"33115","Cayaponoside C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside C",NA,"CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(=O)CCC(C)(C)O)O)O)C","AVEPNSKXSPQHQF-FKPJQOOCSA-N",386949,NA,"PDBC33115","680111","Present",NA,NA
+"33116","Cayaponoside C2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside C2",NA,"CC(=O)C1C(CC2(C1(CC(=O)C3(C2CCC4=CC(=C(C=C43)OC5C(C(C(C(O5)CO)O)O)O)O)C)C)C)O","JUEKALZXGNEJDZ-NFEZKSQMSA-N",386950,NA,"PDBC33116","680112","Present",NA,NA
+"33117","Cayaponoside C3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside C3",NA,"CC1=C(C(=O)CC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C(C)(C(=O)CCC(C)(C)O)O)O)C)C)C)OC5C(C(C(C(O5)CO)O)O)O","NXYSZRQPQJJVEA-NUCYJBGASA-N",386951,NA,"PDBC33117","680113","Present",NA,NA
+"33118","Cayaponoside C5b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside C5b",NA,"CC1=C2C=CC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(=O)CCC(C)(C)O)O)O)C","JARDNXVRGXYQOK-FKPJQOOCSA-N",386952,NA,"PDBC33118","680114","Present",NA,NA
+"33119","Cayaponoside D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside D",NA,"CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(C=CC(C)(C)O)O)O)O)C","MATZMSBOEUIXMX-APRSVNSBSA-N",5468958,NA,"PDBC33119","680115","Present",NA,NA
+"33120","Cayaponoside D1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside D1",NA,"CC1=C2CCC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(CCC(C)(C)O)O)O)O)C","MRIBADDLUARZPZ-GGGDTYONSA-N",386954,NA,"PDBC33120","680116","Present",NA,NA
+"33121","Cayaponoside D2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cayaponoside D2",NA,"CC1=C2C=CC3C4(CC(C(C4(CC(=O)C3(C2=CC(=C1O)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)(C(C=CC(C)(C)O)O)O)O)C","QQSPBRWQTFVPRX-APRSVNSBSA-N",5468959,NA,"PDBC33121","680117","Present",NA,NA
+"33122","Cbp-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCS-1477",NA,"CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)C4CCCC(=O)N4C5=CC(=C(C=C5)F)F)C6CCC(CC6)OC","SKDNDJWEBPQKCS-RIQBOWGZSA-N",134457551,NA,"PDBC33122","818619","Present",NA,NA
+"33123","Cbz-[Lys3]-Didemnin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cbz-[Lys3]-Didemnin B",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC4=CC=C(C=C4)OC)C)CCCCNC(=O)OCC5=CC=CC=C5)C)C(C)C)O","LLDILYQOTFCUPG-UUVWMACASA-N",398464,NA,"PDBC33123","708240","Present",NA,NA
+"33124","Cc-115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC-115",NA,"CCN1C(=O)CNC2=NC=C(N=C21)C3=C(N=C(C=C3)C4=NC=NN4)C","GMYLVKUGJMYTFB-UHFFFAOYSA-N",58298318,NA,"PDBC33124","793151","Present",NA,NA
+"33125","Cc-223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792971///NSC800982",NA,"CC(C)(C1=NC=C(C=C1)C2=CN=C3C(=N2)N(C(=O)CN3)C4CCC(CC4)OC)O","UFKLYTOEMRFKAD-UHFFFAOYSA-N",58298316,NA,"PDBC33125","792971///800982","Present",NA,NA
+"33126","Cdk1 inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cdk1 inhibitor",NA,"C1=CC=C2C(=C1)C(=CC3=C(NC4=CC=CC=C43)Cl)C(=O)N2","QJKBRWSJWQVKLY-UKTHLTGXSA-N",5472558,NA,"PDBC33126","720148","Present",NA,NA
+"33127","Cdri 85-287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cdri 85-287",NA,"C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(=CC4=CC=CC=C4O3)C5=CC=CC=C5","DBHGMZQRJDUFGS-UHFFFAOYSA-N",159508,NA,"PDBC33127","607873","Present",NA,NA
+"33128","Cedilanid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allocor",NA,"CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O","JAYAGJDXJIDEKI-UHFFFAOYSA-N",3879,NA,"PDBC33128","7533","Present",NA,NA
+"33129","Cedrela odorata Substance B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cedrela odorata Substance B",NA,"CC1(C(C2(C3CCC4(C(OC(=O)CC4=C3CC(C1=O)C2=O)C5=COC=C5)C)C)CC(=O)OC)C","DNFJSIPZGYBGON-UHFFFAOYSA-N",267328,NA,"PDBC33129","118341","Present",NA,NA
+"33130","Cedrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cedrol",NA,"CC1CCC2C13CCC(C(C3)C2(C)C)(C)O","SVURIXNDRWRAFU-OGMFBOKVSA-N",65575,NA,"PDBC33130","403883","Present",NA,NA
+"33131","Cedronine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cedronine",NA,"CC1=CC(=O)C(C2(C1CC(C34C2C(C5C(C3C(=O)O5)(OC4)C)O)O)C)O","FNBJCARFLWAAPK-UHFFFAOYSA-N",183337,NA,"PDBC33131","267707","Present",NA,NA
+"33132","Cefaloject",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cephapirin sodium",NA,"CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC3=CC=NC=C3)SC1)C(=O)O.[Na+]","VGEOUKPOQQEQSX-UHFFFAOYSA-N",18469536,NA,"PDBC33132","179171","Present",NA,NA
+"33133","Celestine blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"celestin blue",NA,"CCN(CC)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)[NH3+].[Cl-]","REPMZEQSQQAHJR-UHFFFAOYSA-N",135403650,NA,"PDBC33133","7823","Present",NA,NA
+"33134","Celestone Soluspan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Betamethasone Sodium Phosphate",NA,"CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C.[Na+]","MQRFYYBWKRACSJ-UHFFFAOYSA-N",18471829,NA,"PDBC33134","90616","Present",NA,NA
+"33135","Cenisertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AS-703569",NA,"CC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC3C4CC(C3C(=O)N)C=C4)F)N5CCN(CC5)C","KSOVGRCOLZZTPF-QMKUDKLTSA-N",11569967,NA,"PDBC33135","763930","Present",NA,NA
+"33136","Centaureidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Centaureidin",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)O","BZXULYMZYPRZOG-UHFFFAOYSA-N",5315773,NA,"PDBC33136","106969","Present",NA,NA
+"33137","Centipedic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Centipedic acid",NA,"CC(=CCCC(=CCCC(=CCCC1=COC=C1)C)C(=O)O)C","UKHQJOTZHQQZBX-BAOHTXIFSA-N",5466638,NA,"PDBC33137","640324","Present",NA,NA
+"33138","Cep-28122 (alk)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CEP-28122",NA,"COC1=C(C=CC2=C1CCC(CC2)N3CCOCC3)NC4=NC=C(C(=N4)NC5C6CC(C5C(=O)N)C=C6)Cl","LAJAFFLJAJMYLK-SUEGLBJXSA-N",155805693,NA,"PDBC33138","779218","Present",NA,NA
+"33139","Cephaeline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cephaeline dihydrochloride",NA,"CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4)O)OC)OC)OC.Cl","NWYUGUJIBCMDEB-QJAXAJGISA-N",23616886,NA,"PDBC33139","32944","Present",NA,NA
+"33140","Cephalostatin 5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378731",NA,"CC1C2CC(C3=C4CCC5CC6=C(CC5(C4=CC(=C23)OC17C(C(C(O7)(C)C)C)O)C)N=C8CC9CCC1C(C9(CC8=N6)C)CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)O","RFXLQYCDXUKYKK-GJNJDTNOSA-N",6711244,NA,"PDBC33140","378731","Present",NA,NA
+"33141","Cephalostatin 6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378732",NA,"CC1C2CC(C3=C4CCC5CC6=C(CC5(C4=CC(=C23)OC17C(CC(O7)(C)C)O)C)N=C8CC9CCC1C(C9(CC8=N6)C)CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)O","GPCYNOXHQAAREG-NADGPVQSSA-N",6711245,NA,"PDBC33141","378732","Present",NA,NA
+"33142","Cepharadione A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cepharadione A",NA,"CN1C2=CC3=CC=CC=C3C4=C2C(=CC5=C4OCO5)C(=O)C1=O","RZIGKFTVXWUUCX-UHFFFAOYSA-N",94577,NA,"PDBC33142","650435","Present",NA,NA
+"33143","Cepharanthine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CEPHARANTHINE",NA,"CN1CCC2=CC3=C(C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(C=C8CCN7C)OC)O4)OC)OCO3","YVPXVXANRNDGTA-WDYNHAJCSA-N",10206,NA,"PDBC33143","758965","Present",NA,NA
+"33144","Cercosporin from Cercospora hayii",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cercosporin",NA,"CC(CC1=C2C3=C(C(=C(C4=C3C5=C6C2=C(C(=O)C=C6OCOC5=CC4=O)C(=C1OC)O)O)OC)CC(C)O)O","MXLWQNCWIIZUQT-UHFFFAOYSA-N",2674,NA,"PDBC33144","234486","Present",NA,NA
+"33145","Cereblon modulator 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC-90009",NA,"C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC(=C3)CNC(=O)C(C4=CC=C(C=C4)Cl)(F)F","PWBHUSLMHZLGRN-UHFFFAOYSA-N",118647211,NA,"PDBC33145","828250","Present",NA,NA
+"33146","Ceritinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776422///NSC777193///Ceritinib",NA,"CC1=CC(=C(C=C1C2CCNCC2)OC(C)C)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)C(C)C)Cl","VERWOWGGCGHDQE-UHFFFAOYSA-N",57379345,NA,"PDBC33146","776422///777193///800072","Present",NA,NA
+"33147","Cerivastatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cerivastatin",NA,NA,"CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)C=CC(CC(CC(=O)O)O)O","SEERZIQQUAZTOL-ANMDKAQQSA-N",446156,NA,"PDBC33147",NA,"Absent",NA,NA
+"33148","Cerubidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rubomycin",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N)O","STQGQHZAVUOBTE-UHFFFAOYSA-N",2958,NA,"PDBC33148","112758","Present",NA,NA
+"33149","Cervicarcin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cervicarcin",NA,"CC1C(C23C(=O)C4=C(C(C2(O3)C(C1(C(=O)C5C(O5)C)O)O)O)C(=CC=C4)O)O","ZGZVMKCZHDIFQA-UHFFFAOYSA-N",29219,NA,"PDBC33149","65380","Present",NA,NA
+"33150","Cetalkonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cetalkonium Chloride",NA,"CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.[Cl-]","SXPWTBGAZSPLHA-UHFFFAOYSA-M",31202,NA,"PDBC33150","32942","Present",NA,NA
+"33151","Cetiedil citrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cetiedil citrate",NA,"C1CCCN(CC1)CCOC(=O)C(C2CCCCC2)C3=CSC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","XMGJGSKRRWXOIF-UHFFFAOYSA-N",66383,NA,"PDBC33151","662129","Present",NA,NA
+"33152","Cetil Orange RR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acid Orange R",NA,"C1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","WYCBCDZIPXSHFH-UHFFFAOYSA-N",135421986,NA,"PDBC33152","45548","Present",NA,NA
+"33153","Cetrimonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-Hexadecyltrimethylammonium bromide///CETRIMONIUM BROMIDE",NA,"CCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]","LZZYPRNAOMGNLH-UHFFFAOYSA-M",5974,NA,"PDBC33153","32927///758401","Present",NA,NA
+"33154","Cetylpyridinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ceprim///CETYLPYRIDINIUM CHLORIDE",NA,"CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Cl-]","YMKDRGPMQRFJGP-UHFFFAOYSA-M",31239,NA,"PDBC33154","14864///756673","Present",NA,NA
+"33155","Cevine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cevin",NA,"CC1CCC2C(C3(C(CC4(C5CCC6C7(C5(CC4(C3CN2C1)O)OC6(C(CC7)O)O)C)O)O)O)(C)O","MZHXYVMEVBEFAL-UHFFFAOYSA-N",264634,NA,"PDBC33155","99804","Present",NA,NA
+"33156","Chaetochromin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chaetochromin",NA,"CC1C(OC2=C(C1=O)C(=C3C(=C2)C(=C(C=C3O)O)C4=C(C=C(C5=C(C6=C(C=C54)OC(C(C6=O)C)C)O)O)O)O)C","RHNVLFNWDGWACV-UHFFFAOYSA-N",53277,NA,"PDBC33156","345647","Present",NA,NA
+"33157","Chaetoglobosin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chaetoglobosin A",NA,"CC1CC=CC2C3C(O3)(C(C4C2(C(=O)C=CC(=O)C(C(=C1)C)O)C(=O)NC4CC5=CNC6=CC=CC=C65)C)C","OUMWCYMRLMEZJH-MIUJFZNDSA-N",5477906,NA,"PDBC33157","366739","Present",NA,NA
+"33158","Chaetomellic acid A, Disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chaetomellic acid a, disodium salt",NA,"CCCCCCCCCCCCCCC(=C(C)C(=O)O)C(=O)O.[Na+]","XVPYUUXUJRBAFW-XYJRJTJESA-N",54608775,NA,"PDBC33158","675835","Present",NA,NA
+"33159","Chalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 1,3-diphenyl-, (E)-",NA,"C1=CC=C(C=C1)C=CC(=O)C2=CC=CC=C2","DQFBYFPFKXHELB-VAWYXSNFSA-N",637760,NA,"PDBC33159","167107","Present",NA,NA
+"33160","Chalcone analog",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHALCONE ANALOG",NA,"COC1=CC(=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)OCO3)OCC4=CC=CC=C4","ASBHMHPBHPYMIS-YRNVUSSQSA-N",6296717,NA,"PDBC33160","331935","Present",NA,NA
+"33161","Chalcone, 2',3,4-trihydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chalcone, 2',3,4-trihydroxy-",NA,"C1=CC=C(C(=C1)C(=O)C=CC2=CC(=C(C=C2)O)O)O","PSYVAIWGYVDYHN-ALCCZGGFSA-N",40492949,NA,"PDBC33161","37433","Present",NA,NA
+"33162","Chapliatrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chapliatrin",NA,"CC=C(COC(=O)C)C(=O)OC1CC2(CCC(C(C(O2)C3C1C(=C)C(=O)O3)COC(=O)C)O)C","XYDKBCJHVLMYMJ-GIDUJCDVSA-N",5476653,NA,"PDBC33162","249956","Present",NA,NA
+"33163","Chelerythrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chelerythrine///toddalin",NA,"C[N+]1=C2C(=C3C=CC(=C(C3=C1)OC)OC)C=CC4=CC5=C(C=C42)OCO5","LLEJIEBFSOEYIV-UHFFFAOYSA-N",2703,NA,"PDBC33163","36405///76023","Present",NA,NA
+"33164","Chelidonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"jerva acid",NA,"C1=C(OC(=CC1=O)C(=O)O)C(=O)O","PBAYDYUZOSNJGU-UHFFFAOYSA-N",7431,NA,"PDBC33164","3979","Present",NA,NA
+"33165","Chelocardin dodecyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chelocardin dodecyl sulfate",NA,"CCCCCCCCCCCCOS(=O)(=O)O.CC1=C(C2=C(C3=C(CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)C)N)C(=C2C=C1)C)O)O","LCLUJNHUTNSQLT-UHFFFAOYSA-N",415844,NA,"PDBC33165","73495","Present",NA,NA
+"33166","ChemDiv1_000166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_000166",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])C","AMYNTEMFHMIBMZ-UHFFFAOYSA-N",403860,NA,"PDBC33166","719393","Present",NA,NA
+"33167","ChemDiv1_000969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_000969",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NN=C(O3)C4=CC=CC=C4","WRCXJNPCCIZIOQ-UHFFFAOYSA-N",397073,NA,"PDBC33167","704386","Present",NA,NA
+"33168","ChemDiv1_005833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_005833",NA,"C1=CC=C(C=C1)CSC2=C(C(=C(C(=N2)N)C#N)C3=CC=C(C=C3)O)C#N","IFPNWUPLRFRCRO-UHFFFAOYSA-N",398162,NA,"PDBC33168","707694","Present",NA,NA
+"33169","ChemDiv1_008548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_008548",NA,"COC1=C(C=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","ZXJUNQDJGPVLKM-UHFFFAOYSA-N",3732101,NA,"PDBC33169","746064","Present",NA,NA
+"33170","ChemDiv1_008629",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_008629",NA,"C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O","NBGARSVWAUUWLK-UHFFFAOYSA-N",364802,NA,"PDBC33170","631561","Present",NA,NA
+"33171","ChemDiv1_011311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_011311",NA,"CCOC1=CC=C(C=C1)C2C3=C(CCN2C(=O)C4=CC=CS4)C5=CC=CC=C5N3","JTWPHVBXINDCLN-UHFFFAOYSA-N",403099,NA,"PDBC33171","717571","Present",NA,NA
+"33172","ChemDiv1_017614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_017614",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4","UJBSCEQIYILHIL-UHFFFAOYSA-N",403071,NA,"PDBC33172","717542","Present",NA,NA
+"33173","ChemDiv1_017788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_017788",NA,"C1=CC=C(C=C1)COC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)Br","PODWVIXNCKDPAZ-UHFFFAOYSA-N",403062,NA,"PDBC33173","717534","Present",NA,NA
+"33174","ChemDiv1_017832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_017832",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4","KRMJMNXHUNMACV-UHFFFAOYSA-N",403063,NA,"PDBC33174","717535","Present",NA,NA
+"33175","ChemDiv1_019598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_019598",NA,"C1=CC2=C(C=C1Br)C3=NNC(=S)N=C3N2","QFJVRRZSQIPAMW-UHFFFAOYSA-N",135401551,NA,"PDBC33175","689826","Present",NA,NA
+"33176","ChemDiv1_019773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_019773",NA,"CCOP(=O)(C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)P(=O)(OCC)OCC)OCC","YYVQGMBTHJSGCT-UHFFFAOYSA-N",378741,NA,"PDBC33176","661840","Present",NA,NA
+"33177","ChemDiv1_019776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_019776",NA,"CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C=C2)O)C(C)(C)CC","DHEJKONKJWLHGP-UHFFFAOYSA-N",122566,NA,"PDBC33177","605762","Present",NA,NA
+"33178","ChemDiv1_019831",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_019831",NA,"CC1=C2C(=CC(=N1)C3=CC4=C(C=CC(=C4)Cl)OC3=O)C5=C(C=CC(=C5)Cl)OC2=O","KYGOCZHVURVMGW-UHFFFAOYSA-N",395983,NA,"PDBC33178","701107","Present",NA,NA
+"33179","ChemDiv1_019916",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_019916",NA,"CC1(CC2=C(C(NC3=C2C4=CC=CC=C4C=C3)C5=CN(C6=CC=CC=C65)CC7=CC=C(C=C7)Cl)C(=O)C1)C","OREQNSPAFLLDAI-UHFFFAOYSA-N",403068,NA,"PDBC33179","717539","Present",NA,NA
+"33180","ChemDiv1_023582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_023582",NA,"C1=CC=C(C=C1)N2C(=S)N(C3(C2(C4=CC=CC=C4C3=O)O)O)C5=CC=CC=C5","QZYDMWIHROOQLJ-UHFFFAOYSA-N",368006,NA,"PDBC33180","638235","Present",NA,NA
+"33181","ChemDiv1_023855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_023855",NA,"C1C(=NC2=CC=CC=C2NC1=O)C3=CC=CC=C3","SRZDVYZVEYALFB-UHFFFAOYSA-N",177746,NA,"PDBC33181","645039","Present",NA,NA
+"33182","ChemDiv1_025629",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_025629",NA,"C1=CC=C(C=C1)C2=C(N=C(N2)C3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)C4=CC=CC=C4","JYOCLQXLGXNRPW-UHFFFAOYSA-N",3112010,NA,"PDBC33182","717508","Present",NA,NA
+"33183","ChemDiv1_026719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_026719",NA,"CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)C1)C","VXTIMMAQPHHBAG-UHFFFAOYSA-N",376365,NA,"PDBC33183","657197","Present",NA,NA
+"33184","ChemDiv1_028328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_028328",NA,"CC12CC(C(C(=O)N1)C(=O)OC)C3=CC=CC=C3O2","BROGKWPVKZILGE-UHFFFAOYSA-N",364228,NA,"PDBC33184","630079","Present",NA,NA
+"33185","ChemDiv2_000241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv2_000241",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4C(=O)N3","KNNPAJBJUSJPJF-UHFFFAOYSA-N",135420366,NA,"PDBC33185","684975","Present",NA,NA
+"33186","ChemDiv2_001941",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv2_001941",NA,"C1=CC=C(C=C1)N2C3=C(C(=NC=N3)Cl)SC2=S","FQYRZHWDMVRYHF-UHFFFAOYSA-N",373692,NA,"PDBC33186","650584","Present",NA,NA
+"33187","ChemDiv2_002737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv2_002737",NA,"CC1=C(C2=CC=CC=C2N1)C3CC(=O)NC3=O","WXYALNNGKUJFKN-UHFFFAOYSA-N",363323,NA,"PDBC33187","628180","Present",NA,NA
+"33188","ChemDiv2_003457",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv2_003457",NA,"CCOC(=O)CC1=NN2C(=O)C=C(N=C2S1)C","MQMVOCWCDBOYOM-UHFFFAOYSA-N",385805,NA,"PDBC33188","677199","Present",NA,NA
+"33189","ChemDiv2_006729",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv2_006729",NA,"C1CCN(C1)C2=CC(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl","TVCKGOVWZJUTNR-UHFFFAOYSA-N",396879,NA,"PDBC33189","703906","Present",NA,NA
+"33190","ChemDiv3_000077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_000077",NA,"C1CN(CCN1CC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=S","BQOFIHKBQDUWDE-UHFFFAOYSA-N",376585,NA,"PDBC33190","657597","Present",NA,NA
+"33191","ChemDiv3_000194",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_000194",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4OC3=O","JHKGSKCTPVNCNJ-UHFFFAOYSA-N",395955,NA,"PDBC33191","701079","Present",NA,NA
+"33192","ChemDiv3_000196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_000196",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)C(CC3=CN=CN3)C(=O)O","CTUUVOUXZNQMSU-UHFFFAOYSA-N",261550,NA,"PDBC33192","93967","Present",NA,NA
+"33193","ChemDiv3_000482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_000482",NA,"C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=C4C(=O)NC(=O)NC4=O","FPGWJDJJATWIGG-UHFFFAOYSA-N",3110612,NA,"PDBC33193","748583","Present",NA,NA
+"33194","ChemDiv3_000627",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_000627",NA,"C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)O","DRLOEQUWBUTGTH-UHFFFAOYSA-N",402449,NA,"PDBC33194","716419","Present",NA,NA
+"33195","ChemDiv3_000672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_000672",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=NC3=CC=C(C=C3)F)O2)C(=O)N","OVSZUDCBTWIXMG-UHFFFAOYSA-N",397122,NA,"PDBC33195","704435","Present",NA,NA
+"33196","ChemDiv3_000752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_000752",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C5=CC=CC=C5SC4=N3","HSRAFAOEQXTADE-UHFFFAOYSA-N",395979,NA,"PDBC33196","701103","Present",NA,NA
+"33197","ChemDiv3_001104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_001104",NA,"CN(C)CCCN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(C=C3)OC","POVGDMXEDGPTGA-UHFFFAOYSA-N",396118,NA,"PDBC33197","701665","Present",NA,NA
+"33198","ChemDiv3_001941",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_001941",NA,"CCOC(=O)C1=C2C=CC=CN2C3=C1C(=O)C4=CC=CC=C4C3=O","RCDIUAFMNCXJRV-UHFFFAOYSA-N",273769,NA,"PDBC33198","119236","Present",NA,NA
+"33199","ChemDiv3_002735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_002735",NA,"C1=CC=C(C=C1)C2=CSC3=C2C4=NN=CN4C=N3","IHYCWHDELTTWEI-UHFFFAOYSA-N",360857,NA,"PDBC33199","623518","Present",NA,NA
+"33200","ChemDiv3_003003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_003003",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CC3(C4=CC=CC=C4NC3=O)O","IVAVELBVHXCUDH-UHFFFAOYSA-N",359724,NA,"PDBC33200","621170","Present",NA,NA
+"33201","ChemDiv3_006769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_006769",NA,"C1C(OC2=CC=CC=C2O1)CCC(=O)O","RSELCPGRYREMTC-UHFFFAOYSA-N",267548,NA,"PDBC33201","106901","Present",NA,NA
+"33202","ChemDiv3_015075",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv3_015075",NA,"C1C(C(=O)N(C1=O)C2=CC=CC=C2)C3=CNC4=CC=CC=C43","YSZCDIFFVAZIBE-UHFFFAOYSA-N",363322,NA,"PDBC33202","628179","Present",NA,NA
+"33203","ChemDivAM_000505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDivAM_000505",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CC5=C(C=C4)OCO5)C(=O)C6=C(C(=CC=C6)F)F","ZDULKAHHRQEWKJ-UHFFFAOYSA-N",403081,NA,"PDBC33203","717553","Present",NA,NA
+"33204","ChemDivAM_000545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDivAM_000545",NA,"CC1=CC=CC=C1C(=O)N2CCC3=C(C2)NC4=CC=CC=C34","NVTCEUJHWFLJBS-UHFFFAOYSA-N",403051,NA,"PDBC33204","717523","Present",NA,NA
+"33205","ChemDivAM_001114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDivAM_001114",NA,"CC1=CC2=C(C=C1)N=C(CC(=O)N2)C3=CC=CC=C3","SCWDIXHHIUWDED-UHFFFAOYSA-N",353213,NA,"PDBC33205","600768","Present",NA,NA
+"33206","Chembl138915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Fluoro-2'-deoxyuridyl 2-(1,4-naphthoquinonyl)methyl N-...",NA,"CN(CCCCCl)P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)OCC3=CC(=O)C4=CC=CC=C4C3=O","VIOXADGCOMQISB-UHFFFAOYSA-N",404842,NA,"PDBC33206","721386","Present",NA,NA
+"33207","Chembl139442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-2'-deoxyuridyl 5-nitrofuryl N-methyl-N-(4-chlor...",NA,"CN(CCCCCl)P(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)OCC3=CC=C(O3)[N+](=O)[O-]","QJSUJNHXESNBMF-UHFFFAOYSA-N",404841,NA,"PDBC33207","721385","Present",NA,NA
+"33208","Chembl1980354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CASTANOSPERMINE",NA,"C1CN2CC(C(C(C2C1O)O)O)O","JDVVGAQPNNXQDW-OMVCODFRSA-N",356986,NA,"PDBC33208","614552","Present",NA,NA
+"33209","Chembl1997442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Amino-5-methoxy-2-(4-pyridylmethyl)inden-1-one",NA,"COC1=CC2=C(C=C1)C(=O)C(=C2N)CC3=CC=NC=C3","LADVDHPMHRSARD-UHFFFAOYSA-N",396930,NA,"PDBC33209","704114","Present",NA,NA
+"33210","Chembl237184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(2-naphthyl)methyl]chromen-2-one",NA,"C1=CC=C2C=C(C=CC2=C1)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","VYICSZDCHJOOLB-UHFFFAOYSA-N",54714087,NA,"PDBC33210","686380","Present",NA,NA
+"33211","Chembl239632",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-[(4-hydroxy-2-oxo-chromen-3-yl)-(3-quinolyl)methyl]chromen-2-one",NA,"C1=CC=C2C(=C1)C=C(C=N2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O","OATUCGPJXJOYHJ-UHFFFAOYSA-N",54714086,NA,"PDBC33211","686388","Present",NA,NA
+"33212","Chembl239843",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3,5-Dibenzyloxyphenyl)-(4-hydroxy-2-oxo-chromen-3-yl)methyl]-4-hydroxy-chromen-2-one",NA,"C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(C3=C(C4=CC=CC=C4OC3=O)O)C5=C(C6=CC=CC=C6OC5=O)O)OCC7=CC=CC=C7","FQZUYGVPYXUBRC-UHFFFAOYSA-N",54682817,NA,"PDBC33212","686385","Present",NA,NA
+"33213","Chembl3039369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"selamectin (usan)",NA,"CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)O)OC)C)OC1C7CCCCC7","AFJYYKSVHJGXSN-XUCDQRGXSA-N",16667695,NA,"PDBC33213","758615","Present",NA,NA
+"33214","Chembl4125752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNJ-54302833",NA,"CN1C=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=NC5(CC5)C(=O)N4CC6CCN(C6)C(=O)C7CC7","VXNJFKPHXOAQEY-HXUWFJFHSA-N",73332466,NA,"PDBC33214","782125","Present",NA,NA
+"33215","Chembl4126156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-3458",NA,"CC1=C(SC(=N1)NC(=O)C)C2=CC3=C(C(=C2)S(=O)(=O)C)C(=O)N(C3)C(C)C4CC4","PAQUFWFUOVDUIO-NSHDSACASA-N",134611894,NA,"PDBC33215","819210","Present",NA,NA
+"33216","Chembl4160143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792810",NA,"COC1=CC(=CC=C1)OC2=NC(=NC=C2NC(=O)NC3=CC(=CC(=C3)OC)OC)NC4=CC=C(C=C4)N5CCOCC5","SBLCNWNDMUJOKH-UHFFFAOYSA-N",142749657,NA,"PDBC33216","792810","Present",NA,NA
+"33217","Chembl4160862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791023",NA,"C1CS(=O)C2=C(C3=C(C=NC3=C(C2=N1)O)CO)N","PQBFSFJACHRLJW-UHFFFAOYSA-N",145957190,NA,"PDBC33217","791023","Present",NA,NA
+"33218","Chembl4161392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799732",NA,"COC1=CC=C(C=C1)C2=NOC(=C2C3=CC(=C(C(=C3)OC)OC)OC)C(=O)O","PRJQRPVDHOTPSV-UHFFFAOYSA-N",145916476,NA,"PDBC33218","799732","Present",NA,NA
+"33219","Chembl4162334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NTD-191",NA,"CN(C)CCN1CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC","YUMNTRHQUNZDNO-UHFFFAOYSA-N",145957984,NA,"PDBC33219","793460","Present",NA,NA
+"33220","Chembl4163587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-2-[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperid...",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC(C3)NC4=CC(=O)C5=CC=CC=C5C4=O)N)OC","ZLHMTVZLNSBOJW-AWEZNQCLSA-N",145962478,NA,"PDBC33220","768137","Present",NA,NA
+"33221","Chembl4163794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798752",NA,"CCSC(=C(C#N)C(=O)NC1=CC=C(C=C1)OC)NC2=CC=CC=C2","KREPXHBANDJFSE-HTXNQAPBSA-N",145957781,NA,"PDBC33221","798752","Present",NA,NA
+"33222","Chembl4164980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-dimethoxyphenyl)-3-(3-(3,4-dimethoxyphenyl)-1...",NA,"COC1=C(C=C(C=C1)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C=C3)OC)OC)OC","ROFXJBJMKPEHEA-BQYQJAHWSA-N",117928347,NA,"PDBC33222","774979","Present",NA,NA
+"33223","Chembl4165416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782379",NA,"CCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4)NC(=O)CCN5CCCC5","YKTXADZTPSHAEX-UHFFFAOYSA-N",145955857,NA,"PDBC33223","782379","Present",NA,NA
+"33224","Chembl4165869",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785401",NA,"C1CN(CCC1NC(=O)C(CC2=CNC3=CC=CC=C32)N)CC4=CNC5=C4C=C(C=C5)Cl","LMAYILTVNBZXSW-QFIPXVFZSA-N",121424047,NA,"PDBC33224","785401","Present",NA,NA
+"33225","Chembl4167304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797930",NA,"CCN(CC)CCN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC","ORRYPOXCZYPJKU-UHFFFAOYSA-N",145955920,NA,"PDBC33225","797930","Present",NA,NA
+"33226","Chembl4167660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NTD-192",NA,"COC1=C(C=C2C(=C1)CN(C3=C2C=CC4=CC5=C(C=C43)OCO5)CCCN6C=CN=C6)OC","HVNHWFXBZPKIDY-UHFFFAOYSA-N",145953630,NA,"PDBC33226","793461","Present",NA,NA
+"33227","Chembl4167805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-2-((3-(benzo[d][1,3]dioxol-5-yl)-1H-pyrazol-5-yl)met...",NA,"COC1=C(C=C2C(=C1)CC(=CC3=CC(=NN3)C4=CC5=C(C=C4)OCO5)C2=O)OC","WQZGNGGEIXKTHL-MKMNVTDBSA-N",117928416,NA,"PDBC33227","768398","Present",NA,NA
+"33228","Chembl4168800",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791022",NA,"C1CSC2=C(C3=C(C=NC3=C(C2=N1)O)CO)N","KGENHOSDJOUGRC-UHFFFAOYSA-N",145953684,NA,"PDBC33228","791022","Present",NA,NA
+"33229","Chembl4170301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-aminophenyl)-3-(3-(3,4-dimethoxyphenyl)-1H-pyra...",NA,"COC1=C(C=C(C=C1)C2=NNC(=C2)C=CC(=O)C3=CC=C(C=C3)N)OC","IZGZIPOLPNIXJK-CMDGGOBGSA-N",117928209,NA,"PDBC33229","774981","Present",NA,NA
+"33230","Chembl4170692",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797926",NA,"CN(C)CCN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC","HIRWEADVTAWACU-UHFFFAOYSA-N",145950887,NA,"PDBC33230","797926","Present",NA,NA
+"33231","Chembl4171007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784186",NA,"CCCCOC1=NC2=CC=CC=C2C=C1C3CNC(=O)C4=CC=CC=C4N3","LUJBAMOKZWVHOR-UHFFFAOYSA-N",145951545,NA,"PDBC33231","784186","Present",NA,NA
+"33232","Chembl4171491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-2-[1-(4-Amino-6,7-dimethoxy-quinazolin-2-yl)-piperid...",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC(C3)NC4=CC(=O)C5=CC=CC=C5C4=O)N)OC","ZLHMTVZLNSBOJW-CQSZACIVSA-N",145949210,NA,"PDBC33232","768136","Present",NA,NA
+"33233","Chembl4171663",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NTD-148",NA,"COC1=C(C=C2C(=C1)CN(C3=C2C=CC4=CC5=C(C=C43)OCO5)CCN6CCCC6)OC","MXHXOYWREZYVAW-UHFFFAOYSA-N",145949637,NA,"PDBC33233","793453","Present",NA,NA
+"33234","Chembl4173009",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NTD-185",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C=C3)OCO5)N(C2=O)CCCN6C=CN=C6)OC","WXKYYCDHYYYUGE-UHFFFAOYSA-N",145950775,NA,"PDBC33234","793457","Present",NA,NA
+"33235","Chembl4173660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(3,4-dimethoxyphenyl)-3-(3-(4-methoxyphenyl)-1H-py...",NA,"COC1=CC=C(C=C1)C2=NNC(=C2)C=CC(=O)C3=CC(=C(C=C3)OC)OC","ZUOZCBNGBZJKAW-JXMROGBWSA-N",117935720,NA,"PDBC33235","768407","Present",NA,NA
+"33236","Chembl4174385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC36786",NA,"COC1=CC=C(C=C1)C(=CC2=CC(=C(C(=C2)OC)OC)OC)[N+](=O)[O-]","YNJBCHRXOOPVIA-DHDCSXOGSA-N",5863258,NA,"PDBC33236","36786","Present",NA,NA
+"33237","Chembl4176694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782890",NA,"CCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4)NC(=O)CCN5CCCCC5","AQCAQHYSCCJKTM-UHFFFAOYSA-N",145975728,NA,"PDBC33237","782890","Present",NA,NA
+"33238","Chembl4177032",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-(4-aminophenyl)-3-(3-(4-methoxyphenyl)-1H-pyrazol-...",NA,"COC1=CC=C(C=C1)C2=NNC(=C2)C=CC(=O)C3=CC=C(C=C3)N","IXCSIMVDWONBHU-DHZHZOJOSA-N",117935784,NA,"PDBC33238","768408","Present",NA,NA
+"33239","Chembl4203601",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785399",NA,"CC1=CC2=C(C=C1C)N(C(=N2)NCCN)CC3=CC(=C(C=C3)F)Cl","NAQWEDXRLSNOKB-UHFFFAOYSA-N",145975788,NA,"PDBC33239","785399","Present",NA,NA
+"33240","Chembl4205017",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Nitroso-1H-indol-2-yl)-5-propan-2-yl-1H-indol-2-ol",NA,"CC(C)C1=CC2=C(C=C1)NC(=C2C3=C(C4=CC=CC=C4N3)N=O)O","GEKVTOGDSXKZDW-UHFFFAOYSA-N",403178,NA,"PDBC33240","717832","Present",NA,NA
+"33241","Chembl4205272",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-ethyl-1-phenyl-4-((E)-((E)-3-phenylallylidene)amino)-5...",NA,"CCN1C2C(NC(=S)N2N=CC=CC3=CC=CC=C3)N(C1=O)C4=CC=CC=C4","FFXQRSNHHWEXKO-TZLYQZOHSA-N",145977855,NA,"PDBC33241","799700","Present",NA,NA
+"33242","Chembl4205702",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-diethyl-4-((E)-((E)-3-phenylallylidene)amino)-5-thio...",NA,"CCN1C2C(N(C1=O)CC)N(C(=S)N2)N=CC=CC3=CC=CC=C3","ZKFBHJXHPXBJBI-BUJDNCMTSA-N",145975875,NA,"PDBC33242","799699","Present",NA,NA
+"33243","Chembl4205840",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WW-H1",NA,"C1=CC(=CC=C1NC(=O)CCCCCCC(=O)NO)N(CCCl)CCCl","YKRPYLZHNJSUEJ-UHFFFAOYSA-N",145977632,NA,"PDBC33243","757000","Present",NA,NA
+"33244","Chembl4207519",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BGB-283",NA,"C1CC(=O)NC2=NC=CC(=C21)OC3=CC4=C(C=C3)OC5C4C5C6=NC7=C(N6)C=C(C=C7)C(F)(F)F","NGFFVZQXSRKHBM-YPAWHYETSA-N",89670173,NA,"PDBC33244","793323","Present",NA,NA
+"33245","Chembl4209811",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-fluoro-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-(2-met...",NA,"COCCN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)F","NJURVYNEJRTRBB-UHFFFAOYSA-N",145965905,NA,"PDBC33245","783865","Present",NA,NA
+"33246","Chembl4210068",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-diethyl-4-((E)-((E)-3-(2-methoxyphenyl)allylidene)am...",NA,"CCN1C2C(N(C1=O)CC)N(C(=S)N2)N=CC=CC3=CC=CC=C3OC","MTYNXDRAJLIBDC-SLUIUKIVSA-N",145966124,NA,"PDBC33246","799678","Present",NA,NA
+"33247","Chembl4210197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-diethyl-6-((E)-((E)-3-(2-methoxyphenyl)allylidene)am...",NA,"CCN1C2C(N(C1=O)CC)N(C(=N2)SC)N=CC=CC3=CC=CC=C3OC","ISEAYDRBLSFJMC-ZEQSIELKSA-N",145964068,NA,"PDBC33247","803200","Present",NA,NA
+"33248","Chembl4210936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783233",NA,"C1=CC=C(C=C1)CN2C=CC=C2C=C3C4=CC=CC=C4N(C3=O)C5=C(C=CC=C5Cl)Cl","MGVZMNSMZLHUKO-PGMHBOJBSA-N",145964776,NA,"PDBC33248","783233","Present",NA,NA
+"33249","Chembl4212059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790039",NA,"C1=CC=C(C=C1)NC2=NNC(=C2C3=NC4=CC=CC=C4S3)N","MZQUELMTQIXQPL-UHFFFAOYSA-N",86340067,NA,"PDBC33249","790039","Present",NA,NA
+"33250","Chembl4212264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethyl-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol",NA,"CCC1=CC2=C(C=C1)NC(=C2C3=C(C4=CC=CC=C4N3)N=O)O","DREYLTBUOXSPHC-UHFFFAOYSA-N",403177,NA,"PDBC33250","717831","Present",NA,NA
+"33251","Chembl4213310",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793371",NA,"CC1CC(C2C(=C1)C=CC3(C2(C(=O)CC(O3)O)C)C)OC(=O)C(C)C(C(=CCCC(=O)C)C)O","ZJKIOFVUKLNKSP-WPLLWEEISA-N",145966517,NA,"PDBC33251","793371","Present",NA,NA
+"33252","Chembl4213508",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5R)-2-ethyl-3-carboxy-5-(ethyl carboxy)-1-thia-4-aza-2-...",NA,"CCC1=C(NC(CS1)C(=O)OCC)C(=O)O","YXKNSWHZWIJXLE-LURJTMIESA-N",137469474,NA,"PDBC33252","803591","Present",NA,NA
+"33253","Chembl4213970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCH900353",NA,"CC(C)OC1=NC=C(C=C1)C2=NNC3=C2C=C(C=C3)NC(=O)C4(CCN(C4)CC(=O)N5CCC(=CC5)C6=CC=C(C=C6)C7=NN(C=N7)C)SC","KPQQGHGDBBJGFA-QNGWXLTQSA-N",58282870,NA,"PDBC33253","818002","Present",NA,NA
+"33254","Chembl4215891",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(p-Fluorophenyl)-estra-3,17b-diol",NA,"CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)C5=CC=C(C=C5)F)O","LEMVEIXRUOWQCD-YDNKQOOJSA-N",45028066,NA,"PDBC33254","740983","Present",NA,NA
+"33255","Chembl4216473",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-3229",NA,"CC(C)C1=CN(N=N1)CC(=O)NC2=CC=C(C=C2)NC3=NC=NC4=C3C(=CC(=C4)OCCOC)F","FLJOFQUXYAWOPE-UHFFFAOYSA-N",134814269,NA,"PDBC33255","813380","Present",NA,NA
+"33256","Chembl4217147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(1H-indol-3-yl)-1,3-thiazol-4-yl]-1-(2-methoxyethyl...",NA,"COCCN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=CC=CC=C54","FJYKJKHXXREEMQ-UHFFFAOYSA-N",145973314,NA,"PDBC33256","783854","Present",NA,NA
+"33257","Chembl4217644",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-dimethyl-4-((E)-((E)-3-(2-nitrophenyl)allylidene)ami...",NA,"CN1C2C(N(C1=O)C)N(C(=S)N2)N=CC=CC3=CC=CC=C3[N+](=O)[O-]","SBKMDQUCVBDIFB-ASWACWRWSA-N",145973786,NA,"PDBC33257","799702","Present",NA,NA
+"33258","Chembl4218629",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2-(5-bromo-1H-indol-3-yl)-1,3-thiazol-4-yl]-1-(2-meth...",NA,"COCCN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br","KVDZHBCSKQDFJP-UHFFFAOYSA-N",145969627,NA,"PDBC33258","783862","Present",NA,NA
+"33259","Chembl4225025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783532",NA,"CC1=NC2=C(CCC2)C(=N1)N(C)C3=CC=C(C=C3)SC","TWQXMRJSCLJOPP-UHFFFAOYSA-N",122628499,NA,"PDBC33259","783532","Present",NA,NA
+"33260","Chembl4243567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785398",NA,"CC(C1CC1)NC2=NC(=NC3=C2C=CC=C3C4=CCNCC4)NC5=CC(=C(C=C5)F)Cl","YQFXBUIYNRLMAO-CQSZACIVSA-N",137322683,NA,"PDBC33260","785398","Present",NA,NA
+"33261","Chembl4244656",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S,E)-ethyl 5-((S)-2-(((benzyloxy)carbonyl)amino)-3-phen...",NA,"CCOC(=O)C=CC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","WISLRZADXFYSET-BUZBWCNWSA-N",145985037,NA,"PDBC33261","783088","Present",NA,NA
+"33262","Chembl4245081",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785402",NA,"CC(C1CC1)NC2=NC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)F)Cl","LSMKBOZJAWCJNL-LLVKDONJSA-N",137322682,NA,"PDBC33262","785402","Present",NA,NA
+"33263","Chembl4246869",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798853",NA,"C1CNCCC1CNCC2=CC=C(O2)C3=C(C=C(C=C3)Cl)C4=CC=CC=C4","BGGHSRZVZYUMIT-UHFFFAOYSA-N",145982842,NA,"PDBC33263","798853","Present",NA,NA
+"33264","Chembl4276891",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791254",NA,"C#CC1(C(OC(C1O)N2C=C(C3=C(N=CN=C32)N)Cl)CO)O","QXBJHLKMSCVVRS-SEBFSPHVSA-N",145985647,NA,"PDBC33264","791254","Present",NA,NA
+"33265","Chembl4277014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((4-(4-aminophenyl)-1H-1,2,3-tri...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC=C(C=C5)N","WJRKWIHULFPPQS-UVHRBFQASA-N",145983691,NA,"PDBC33265","786079","Present",NA,NA
+"33266","Chembl4277119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-phenyl...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC=CC=C5","NIHUEMNHVRWWIR-RAKOKPLXSA-N",137459397,NA,"PDBC33266","782104","Present",NA,NA
+"33267","Chembl4277322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791253",NA,"C#CC1(C(OC(C1O)N2C=C(C3=C(N=CN=C32)N)F)CO)O","SOZJKLZVHUFJMU-SEBFSPHVSA-N",145986100,NA,"PDBC33267","791253","Present",NA,NA
+"33268","Chembl4278178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((4-(4-methoxyphenyl)-1H-1,2,3-t...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC=C(C=C5)OC","VCGDLHPPHXFKLT-GRCRCFNVSA-N",130277574,NA,"PDBC33268","783431","Present",NA,NA
+"33269","Chembl4278808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phena...",NA,"C1CCC2=C(C1)C3=C(C=CC4=C3C=NN4)N=C2C5=C(C=C(C=C5)O)F","MDDJLIRTJMWIQO-UHFFFAOYSA-N",142445494,NA,"PDBC33269","801418","Present",NA,NA
+"33270","Chembl4279008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796412",NA,"COC1=CC=C(C=C1)C2=NN3C=C(SC3=N2)C4=CC=C(C=C4)Cl","DNGYZARPLVYBRH-UHFFFAOYSA-N",145981655,NA,"PDBC33270","796412","Present",NA,NA
+"33271","Chembl4279151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793253",NA,"C1=CC(=CC=C1C2=CC3=C(N=CN=C3S2)NC4=CC(=C(C=C4)Cl)C(F)(F)F)[N+](=O)[O-]","MBIBOICZAZBKBQ-UHFFFAOYSA-N",145980530,NA,"PDBC33271","793253","Present",NA,NA
+"33272","Chembl4279703",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FT-1518",NA,"CCC(CC)N1C=NC2=C(N=C(N=C21)N3CC4CCC(C3)O4)C5=CN=C(C=N5)N","VZZGNDREIXJEAB-UHFFFAOYSA-N",53258965,NA,"PDBC33272","802820","Present",NA,NA
+"33273","Chembl4280082",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-(2-(tr...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC=CC=C5C(F)(F)F","WBXSGWAZSOHOMB-BFPAQMPXSA-N",145982150,NA,"PDBC33273","786080","Present",NA,NA
+"33274","Chembl4280439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-propyl...",NA,"CCCC1=CN(N=N1)CC2=CCCC3(C(O3)C4C(CC2)C(=C)C(=O)O4)C","BDKSMEQWIKWOSA-PFRVYOCJSA-N",137459543,NA,"PDBC33274","783240","Present",NA,NA
+"33275","Chembl4280635",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((4-(4-fluorophenyl)-1H-1,2,3-tr...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC=C(C=C5)F","CYDQIRZQIOCDIS-UVHRBFQASA-N",137475220,NA,"PDBC33275","783430","Present",NA,NA
+"33276","Chembl4281099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772813",NA,"C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)O)F","PBLFUUIJXILSEV-UHFFFAOYSA-N",145982183,NA,"PDBC33276","772813","Present",NA,NA
+"33277","Chembl4281102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793695",NA,"C#CC1(C(OC(C1O)N2C=C(C3=C(N=CN=C32)N)C(F)(F)F)CO)O","XDPAZLFPGBDSFL-SEBFSPHVSA-N",145982185,NA,"PDBC33277","793695","Present",NA,NA
+"33278","Chembl4281512",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793693",NA,"C#CC1(C(OC(C1O)N2C=C(C3=C(C=CN=C32)Cl)Br)CO)O","IZOAKFGZCPNHII-QEGRKFQGSA-N",145981055,NA,"PDBC33278","793693","Present",NA,NA
+"33279","Chembl4281761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Deoxy-3-homo-3-aza-20(29)-en-lupane",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C)CO","KRUMIKYEWBFJAQ-DRUCTHHFSA-N",139558849,NA,"PDBC33279","797815","Present",NA,NA
+"33280","Chembl4282477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788724",NA,"CC1(C2CC=C3C(C2(C=CC1OC(=O)N)C=O)CCC4(C3(CC(C4C5=COC(=O)C=C5)Cl)O)C)C","LGQRKPYKYDALST-ZDQYYBRASA-N",145981326,NA,"PDBC33280","788724","Present",NA,NA
+"33281","Chembl4282691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl [6-(pentylsulfanyl)-1,3-benzothiazol-2-yl]carbamate",NA,"CCCCCSC1=CC2=C(C=C1)N=C(S2)NC(=O)OCC","DMJSZEUNRKQTHV-UHFFFAOYSA-N",145980221,NA,"PDBC33281","781894","Present",NA,NA
+"33282","Chembl4283160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784161",NA,"CCCCN1C2=C(C(=O)N(C1=O)CCCC)N3CCCN(C3=N2)CCC4=CC=C(C=C4)OCC(=O)NCCN(CC)CC","WGEVOMAITWLUII-UHFFFAOYSA-N",145981370,NA,"PDBC33282","784161","Present",NA,NA
+"33283","Chembl4284479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((4-(3,5-bis(trifluoromethyl)phe...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","ZREFSAMKZCTNFF-GOAPWOOUSA-N",137459401,NA,"PDBC33283","783912","Present",NA,NA
+"33284","Chembl4284518",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791252",NA,"C#CC1(C(OC(C1O)N2C=CC3=C(N=CN=C32)N)CO)O","BUVPSOFOBSPCHW-OTMMVIPVSA-N",145991017,NA,"PDBC33284","791252","Present",NA,NA
+"33285","Chembl4284815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-(2,4,5...",NA,"CC1=CC(=C(C=C1C)C2=CN(N=N2)CC3=CCCC4(C(O4)C5C(CC3)C(=C)C(=O)O5)C)C","GZWNSHPGNKHYIS-BUWYEPHTSA-N",145992177,NA,"PDBC33285","785225","Present",NA,NA
+"33286","Chembl4287532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791255",NA,"C#CC1(C(OC(C1O)N2C=C(C3=C(N=CN=C32)N)Br)CO)O","TWFBNIXTCPAYBH-SEBFSPHVSA-N",145992700,NA,"PDBC33286","791255","Present",NA,NA
+"33287","Chembl4287769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800925",NA,"CN(C)CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)SC3=CC=CC=C3","WZJXOAMIYWOYNO-UHFFFAOYSA-N",145991163,NA,"PDBC33287","800925","Present",NA,NA
+"33288","Chembl4288175",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-dactylolide",NA,"CC1=CC2CC(=C)CC(O2)CC=CC(=O)CC(=CC=CC(=O)OC(C1)C=O)C","JSRXONXXGPZPDD-WVXVWMMWSA-N",11222845,NA,"PDBC33288","740028","Present",NA,NA
+"33289","Chembl4288184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800924",NA,"CN(C1COC1)C2=CC=C(C=C2)C(=O)C3=CC4=C(C=C3)N=C(N4)NC(=O)OC","MAIZRPXCWJSCMS-UHFFFAOYSA-N",129188946,NA,"PDBC33289","800924","Present",NA,NA
+"33290","Chembl4288673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3-(dimethylamino)propyl)-1,4-dihydro-5H-benzo[c]pyrro...",NA,"CN(C)CCCN1C2=C3C=CNC3=NC=C2C4=CC=CC=C4C1=O","QUGVVKIFZWEMDV-UHFFFAOYSA-N",138605458,NA,"PDBC33290","789546","Present",NA,NA
+"33291","Chembl4289154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-5-((4-(thiop...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CSC=C5","XWIUIRFBWJSKGD-CWCYHTAHSA-N",145987937,NA,"PDBC33291","786078","Present",NA,NA
+"33292","Chembl4290234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1aR,7aS,10aS,10bS,E)-5-((4-(3-chlorophenyl)-1H-1,2,3-tr...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)C5=CC(=CC=C5)Cl","DHNKNUXDODRYSF-WZPNFPJPSA-N",137459396,NA,"PDBC33292","783432","Present",NA,NA
+"33293","Chembl4293082",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788726",NA,"CC1(C2CC=C3C(C2(C4C(C1OC(=O)N)O4)C=O)CCC5(C3(CC(C5C6=COC(=O)C=C6)Cl)O)C)C","PRWPKNOLVLDXSO-OYFNOYEBSA-N",145987898,NA,"PDBC33293","788726","Present",NA,NA
+"33294","Chembl4293970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"neolymphostin A",NA,"CC(C)C(=O)NC1=CC(=N)C2=NC=C3C2=C1NC(=C3)C(=O)C=COC","AMBGZHQTMCPRDB-SSQJTDSESA-N",137321157,NA,"PDBC33294","790970","Present",NA,NA
+"33295","Chembl4295176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791256",NA,"C#CC1(C(OC(C1O)N2C=C(C3=C(N=CN=C32)N)I)CO)O","NBZKHJBPIXOMAL-SEBFSPHVSA-N",145993961,NA,"PDBC33295","791256","Present",NA,NA
+"33296","Chembl4296823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Furan-2-yl)-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one",NA,"C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)C=C(N3)C4=CC=CO4","UZMJKUTVUYXUED-UHFFFAOYSA-N",342597,NA,"PDBC33296","379651","Present",NA,NA
+"33297","Chembl4296842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-N-[(E)-benzylideneamino]tetrazol-5-amine",NA,"C1=CC=C(C=C1)CN2N=C(N=N2)NN=CC3=CC=CC=C3","KFHMAIBXGBCAJT-LFIBNONCSA-N",9562683,NA,"PDBC33297","168225","Present",NA,NA
+"33298","Chembl4296900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Inden-1-one, 6-[2-(dimethylamino)ethoxy]-2,3-dihydro-...",NA,"CN1C(=CN=C1C=C2CC3=C(C2=O)C=C(C=C3)OCCN(C)C)[N+](=O)[O-].OS(=O)(=O)O","QCDIRNSCHKOUIQ-CHHCPSLASA-N",54600468,NA,"PDBC33298","277184","Present",NA,NA
+"33299","Chembl4296906",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(1H-Benzimidazol-2-ylmethylamino)benzoic acid;hydrochloride",NA,"C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(=O)O.Cl","LMWOSKXOUYEVPI-UHFFFAOYSA-N",54602043,NA,"PDBC33299","56779","Present",NA,NA
+"33300","Chembl4296980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,13-dimethyl-17-(2-methyl-1,3-thiazol-4-yl)-1,2,6,7,8,...",NA,"CC1=NC(=CS1)C2CCC3C2(CCC4C3CCC5=CC(=O)CCC45C)C","NIYPNKHDGWDAOX-ACXQXYJUSA-N",259211,NA,"PDBC33300","88916","Present",NA,NA
+"33301","Chembl4296983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cinnamamide, N-(4-amino-2-methyl-6-quinolyl)-o-chloro-",NA,"CC1=CC(=C2C=C(C=CC2=N1)NC(=O)C=CC3=CC=CC=C3Cl)N","MLKVGBZASWPPOU-TWGQIWQCSA-N",40492789,NA,"PDBC33301","33353","Present",NA,NA
+"33302","Chembl4297040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-1-(5-Chloro-2-hydroxyphenyl)-3-quinolin-2-ylprop-2-en-1-one",NA,"C1=CC=C2C(=C1)C=CC(=N2)C=CC(=O)C3=C(C=CC(=C3)Cl)O","MOGBASXXMDTQMD-NTMALXAHSA-N",40491342,NA,"PDBC33302","71097","Present",NA,NA
+"33303","Chembl4299934",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{2-[2-(triphenylphosphonio)ethoxy]ethoxy}ethyl 3-(acet...",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OCCOCCOCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","PPCQWVFGIHBRBH-XWRKYFJKSA-N",145946177,NA,"PDBC33303","791861","Present",NA,NA
+"33304","Chembl4300007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminoethyl)-3-((3,5-di-tert-butylphenyl)sulfonamido...",NA,"CC(C)(C)C1=CC(=CC(=C1)S(=O)(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NCCN)C(C)(C)C","ZWSNIIOEARWNPZ-UHFFFAOYSA-N",145946329,NA,"PDBC33304","783192","Present",NA,NA
+"33305","Chembl4300670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{2-[2-(triphenylphosphonio)ethoxy]ethoxy}ethyl (3beta)...",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C(Cl)Cl)C)C)C2C1C)C)C(=O)OCCOCCOCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","RNNRYIJYCZKPNA-IIGKMFOJSA-N",145946836,NA,"PDBC33305","791859","Present",NA,NA
+"33306","Chembl4300762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(triphenylphosphonio)butyl (17alpha,18alpha,19alpha)-3...",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C(Cl)Cl)C)C)C2C1C)C)C(=O)OCCCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","XYRPZFYRAOHGMW-FKWJDDPUSA-N",145946560,NA,"PDBC33306","791858","Present",NA,NA
+"33307","Chembl4300937",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{2-[2-(triphenylphosphonio)ethoxy]ethoxy}ethyl 3-[(dic...",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C(Cl)Cl)C)C(=O)OCCOCCOCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","BSCMSSQIXTWTBE-QMNLRFMLSA-N",145946863,NA,"PDBC33307","791857","Present",NA,NA
+"33308","Chembl4302932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(triphenylphosphonio)butyl 3-[(dichloroacetyl)oxy]lup-...",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C(Cl)Cl)C)C(=O)OCCCC[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","BJBFSHDIGUXKCJ-PTQFMRNHSA-N",145947993,NA,"PDBC33308","791856","Present",NA,NA
+"33309","Chembl4303442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"abamectin (usan)",NA,"CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C","RRZXIRBKKLTSOM-ONDMGMIHSA-N",5702208,NA,"PDBC33309","758202","Present",NA,NA
+"33310","Chembl4303543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758671",NA,"C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N.Cl","KZOWNALBTMILAP-QFSSJCHDSA-N",16667703,NA,"PDBC33310","758671","Present",NA,NA
+"33311","Chembl4303621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"doramectin (usan)",NA,"CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C8CCCCC8)C)O","QLFZZSKTJWDQOS-CYHFSSRLSA-N",51371336,NA,"PDBC33311","760342","Present",NA,NA
+"33312","Chembl4435442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782694",NA,"C1=C(SC(=C1)C2=CC(=CC(=C2)Cl)Cl)C3=CC=C(S3)C(=N)N","BFXORVXHVFYDPL-UHFFFAOYSA-N",155511340,NA,"PDBC33312","782694","Present",NA,NA
+"33313","Chembl4435461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782699",NA,"COC1=CC(=CC(=C1)C2=CC=C(O2)C3=CC=C(O3)C(=N)N)OC","HRWLYASJKHMQMI-UHFFFAOYSA-N",155511423,NA,"PDBC33313","782699","Present",NA,NA
+"33314","Chembl4436746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771509",NA,"COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl","JNRBIZYBWZXQKC-UHFFFAOYSA-N",155512053,NA,"PDBC33314","771509","Present",NA,NA
+"33315","Chembl4438334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-0705",NA,"CCC1(C2=C(NC3=C1C(=O)CC(C3)(C)C)NN=C2)C4=CC=CC=C4","NCKLQXXBRWCYMA-FQEVSTJZSA-N",136980453,NA,"PDBC33315","825522","Present",NA,NA
+"33316","Chembl4439701",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782013",NA,"C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(S3)C(=N)N)Cl","KGUZLKOJPBQTJT-UHFFFAOYSA-N",155514021,NA,"PDBC33316","782013","Present",NA,NA
+"33317","Chembl4439837",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-((2-(4-bromophenyl)-2-(hydroxyimino)ethyl)thio)-1,3-di...",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)SCC(=NO)C3=CC=C(C=C3)Br","QMERXYUTIZNTAX-GRSHGNNSSA-N",155514128,NA,"PDBC33317","797081","Present",NA,NA
+"33318","Chembl4440063",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790665",NA,"CCN1CCN(CC1)C2=NC(=NC(=C2)C)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CS5","HBLPEBJZVGSCDI-UHFFFAOYSA-N",155514474,NA,"PDBC33318","790665","Present",NA,NA
+"33319","Chembl4440394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771513",NA,"C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)O)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","LLSXAYJFXULHJA-UHFFFAOYSA-N",155514455,NA,"PDBC33319","771513","Present",NA,NA
+"33320","Chembl4440494",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771790",NA,"COC1=CC=C(C=C1)C2=C(C=NN2)C3=CC(=C(C(=C3)OC)OC)OC","XDEMMZMSHRWEAU-UHFFFAOYSA-N",91973276,NA,"PDBC33320","771790","Present",NA,NA
+"33321","Chembl4441140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790663",NA,"CC1=CC(=NC(=N1)Cl)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CS4","WMERCPUSRQSZPJ-UHFFFAOYSA-N",155514954,NA,"PDBC33321","790663","Present",NA,NA
+"33322","Chembl4442068",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[5-(3,4,5-trimethoxyphenyl)-2-thienyl]thiophene-2-carb...",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC=C(S2)C3=CC=C(S3)C(=N)N","NINVANNCPHSLNN-UHFFFAOYSA-N",155515500,NA,"PDBC33322","800285","Present",NA,NA
+"33323","Chembl4442392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CFI-402257",NA,"CC1=C(C=CC(=C1)C2=C3N=C(C=C(N3N=C2)NCC4CC(C4)(C)O)OC5=CN=CC=C5)C(=O)NC6CC6","PMQUGSPFUBGJCZ-UHFFFAOYSA-N",118086034,NA,"PDBC33323","800888","Present",NA,NA
+"33324","Chembl4443352",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772826",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC=CC=C5)Cl","BQRYUJJLGIWONJ-UHFFFAOYSA-N",155516307,NA,"PDBC33324","772826","Present",NA,NA
+"33325","Chembl4443378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-6-(2-(1-((2-amino-5-cyano-6-methylpyrimidin-4-yl)ami...",NA,"CCC(C1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)CCCCCC(=O)NO)NC4=NC(=NC(=C4C#N)C)N","TZFMCSSETKBUSI-QFIPXVFZSA-N",142506192,NA,"PDBC33325","803461","Present",NA,NA
+"33326","Chembl4443481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790664",NA,"CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CS4)Cl","CYELDXSBTOCDGM-UHFFFAOYSA-N",155516634,NA,"PDBC33326","790664","Present",NA,NA
+"33327","Chembl4444330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782693",NA,"C1=CC(=CC=C1C2=CC=C(S2)C3=CC=C(S3)C(=N)N)F","IPKORXHMYGBJDM-UHFFFAOYSA-N",155517028,NA,"PDBC33327","782693","Present",NA,NA
+"33328","Chembl4445291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782753",NA,"CC1=CC(=NC(=N1)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)F)N5CCCCC5","LEOIJJLGKRTKFQ-UHFFFAOYSA-N",139593257,NA,"PDBC33328","782753","Present",NA,NA
+"33329","Chembl4445444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772841",NA,"C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","JMTSOPXJTPHDAR-UHFFFAOYSA-N",155517821,NA,"PDBC33329","772841","Present",NA,NA
+"33330","Chembl4445683",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782696",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C3=CC=C(S3)C4=CC=C(S4)C(=N)N","CVCHYSLSZPZTHC-UHFFFAOYSA-N",155517911,NA,"PDBC33330","782696","Present",NA,NA
+"33331","Chembl4446497",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792975",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C=CC4=CN=CC=C4","GFBAQSKESDVMPL-ULAVGVEHSA-N",155518624,NA,"PDBC33331","792975","Present",NA,NA
+"33332","Chembl4446606",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797928",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C=C3)OCO5)N(C2=O)CCN)OC","PCDSYYLPUBLBSG-UHFFFAOYSA-N",146306863,NA,"PDBC33332","797928","Present",NA,NA
+"33333","Chembl4447379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771505",NA,"COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","UKUPPJBUBXQQKY-UHFFFAOYSA-N",155519212,NA,"PDBC33333","771505","Present",NA,NA
+"33334","Chembl4448196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783105",NA,"COC1=C(C=C(C=C1)C(=CC2=CC3=CC=CC=C3C=C2)C4=NNN=N4)OC","DJKTVGDPXIWTNZ-PDGQHHTCSA-N",155519495,NA,"PDBC33334","783105","Present",NA,NA
+"33335","Chembl4448992",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772837",NA,"C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)O)Cl)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl","UDUNFCKIHFTHDL-UHFFFAOYSA-N",155520366,NA,"PDBC33335","772837","Present",NA,NA
+"33336","Chembl4450400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798710",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC4=C3C(=O)C5=C(C4=O)C=CC(=C5)O","AYABONFBJMJOPT-UHFFFAOYSA-N",73052321,NA,"PDBC33336","798710","Present",NA,NA
+"33337","Chembl4450613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-4-(2-(2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)amino...",NA,"CCC(C1=NC2=CC=CC(=C2C(=O)N1C3=CC=CC=C3)CCC4=CC=C(C=C4)C(=O)NO)NC5=NC(=NC(=C5C#N)N)N","KYZLRDASIUNFBY-QHCPKHFHSA-N",142506102,NA,"PDBC33337","800372","Present",NA,NA
+"33338","Chembl4451538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781620",NA,"CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)F)Cl)C#N)NC(=O)CC4CCSS4","JQVCQRHMQDKKRO-UHFFFAOYSA-N",135236603,NA,"PDBC33338","781620","Present",NA,NA
+"33339","Chembl4451791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HYDRAZONE",NA,"CC1=CC=C(C=C1)C(=O)N=NC2=C(NC3=C2C=C(C=C3)Cl)O","FHDWMXXPZLCKMY-UHFFFAOYSA-N",5158729,NA,"PDBC33339","730874","Present",NA,NA
+"33340","Chembl4452720",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784144",NA,"CC1=CC(=NC(=N1)N2CCN(CC2)C)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F","WGVPIZVHEUWDOT-UHFFFAOYSA-N",117827326,NA,"PDBC33340","784144","Present",NA,NA
+"33341","Chembl4455223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784141",NA,"CCN1CCN(CC1)C2=NC(=NC(=C2)C)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F","LPERFROPJJTZFD-UHFFFAOYSA-N",155524562,NA,"PDBC33341","784141","Present",NA,NA
+"33342","Chembl4455749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771515",NA,"C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)O)C4=CC=NC=C4)NC(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","LXZZATMMMCKNKD-UHFFFAOYSA-N",155524889,NA,"PDBC33342","771515","Present",NA,NA
+"33343","Chembl4455923",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-4-(((2-(1-((2-amino-5-cyano-6-methylpyrimidin-4-yl)a...",NA,"CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC(=C5C#N)C)N","OUFOTOLRWBQNQU-QHCPKHFHSA-N",146585662,NA,"PDBC33343","800373","Present",NA,NA
+"33344","Chembl4456757",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772836",NA,"C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)O)Cl)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","VTCGSJUQQLQZPS-UHFFFAOYSA-N",155525434,NA,"PDBC33344","772836","Present",NA,NA
+"33345","Chembl4457417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772819",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","WQCOFVRFCMISMS-UHFFFAOYSA-N",155525636,NA,"PDBC33345","772819","Present",NA,NA
+"33346","Chembl4457447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781623",NA,"CCOC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl)C#N)NC(=O)CC5CCSS5","QCVAULIYZATFDX-UHFFFAOYSA-N",135236903,NA,"PDBC33346","781623","Present",NA,NA
+"33347","Chembl4457608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-hydroxy-5-nitro indirubin oxime",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=C(N2)O)C3=C(C4=C(N3)C=CC(=C4)O)N=O","KDYHYRKDQJLNGS-UHFFFAOYSA-N",135873213,NA,"PDBC33347","777389","Present",NA,NA
+"33348","Chembl4457746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771516",NA,"C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=C(C(=N4)C5=CC(=CC(=C5)Cl)O)C6=CC=NC=C6)C(F)(F)F","WYUBUECXXSJUPJ-UHFFFAOYSA-N",155525737,NA,"PDBC33348","771516","Present",NA,NA
+"33349","Chembl4458957",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N,3-N-bis(3-ethynylphenyl)-6-nitroquinoxaline-2,3-diamine",NA,"C#CC1=CC(=CC=C1)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2NC4=CC=CC(=C4)C#C","WSBKMBVHKOZASO-UHFFFAOYSA-N",130230672,NA,"PDBC33349","789654","Present",NA,NA
+"33350","Chembl4459679",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-4-(((2-(1-((2-amino-6-methylpyrimidin-4-yl)amino)pro...",NA,"CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC(=C5)C)N","JWAGEFMQZLEIOL-QFIPXVFZSA-N",142506147,NA,"PDBC33350","800374","Present",NA,NA
+"33351","Chembl4460810",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799895",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl)S(=O)(=O)N","IMNALXGNYWNIEP-XBXARRHUSA-N",155490427,NA,"PDBC33351","799895","Present",NA,NA
+"33352","Chembl4461848",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766347",NA,"C1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(S3)C(=N)N","WRBZAPWROILYFJ-UHFFFAOYSA-N",155528737,NA,"PDBC33352","766347","Present",NA,NA
+"33353","Chembl4462360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797419",NA,"C1=CC(=C(C=C1NC(=O)C2=C(C=CC(=C2)F)O)Cl)Br","HTOYDDBUJRCJEF-UHFFFAOYSA-N",107613202,NA,"PDBC33353","797419","Present",NA,NA
+"33354","Chembl4463657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785028",NA,"CC1=CC2=C(C=CC=C2N1C3=NC4=C(CCCC4)C(=N3)NCC5=CC=CC=C5)C(=O)NCC#C","UABOZOMXYKTCLE-UHFFFAOYSA-N",155530177,NA,"PDBC33354","785028","Present",NA,NA
+"33355","Chembl4463911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771514",NA,"C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)O)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl","AUUOJSHGTBHBSQ-UHFFFAOYSA-N",155530305,NA,"PDBC33355","771514","Present",NA,NA
+"33356","Chembl4464812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-4-(((2-(1-((2,6-diamino-5-cyanopyrimidin-4-yl)amino)...",NA,"CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC(=NC(=C5C#N)N)N","XBZDKDNYELJFTM-NRFANRHFSA-N",142506238,NA,"PDBC33356","800371","Present",NA,NA
+"33357","Chembl4466621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[5-(4-fluorophenyl)-2-furyl]furan-2-carboxamidine",NA,"C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(O3)C(=N)N)F","DKRXQEUXLHRVNS-UHFFFAOYSA-N",155532229,NA,"PDBC33357","800292","Present",NA,NA
+"33358","Chembl4467214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771512",NA,"COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)Cl","ZDCREVIPQWVMFN-UHFFFAOYSA-N",155532196,NA,"PDBC33358","771512","Present",NA,NA
+"33359","Chembl4467927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-4-(((2-(1-((6-amino-5-chloropyrimidin-4-yl)amino)pro...",NA,"CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC=NC(=C5Cl)N","MNHYUBALLWYCPX-FQEVSTJZSA-N",142506136,NA,"PDBC33359","800377","Present",NA,NA
+"33360","Chembl4468905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771511",NA,"COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)Cl","DUJZSUKPBRZVOV-UHFFFAOYSA-N",155533377,NA,"PDBC33360","771511","Present",NA,NA
+"33361","Chembl4470500",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,8(1H,5H)-Quinolinedione,7-amino-5-imino-",NA,"C1=CC(=O)NC2=C1C(=N)C=C(C2=O)N","ANVZLQYKEGNGGD-UHFFFAOYSA-N",269624,NA,"PDBC33361","111041","Present",NA,NA
+"33362","Chembl4470645",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784153",NA,"CCN1CCN(CC1)C2=NC(=CC(=N2)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F)C","BRGQEGPKFOOFQK-UHFFFAOYSA-N",71737391,NA,"PDBC33362","784153","Present",NA,NA
+"33363","Chembl4470943",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(2-Dimethylamino-ethylsulfanyl)- 3-isopropyl-1H-pyraz...",NA,"CC(C)C1=C2C(=NN1)C(=NC(=N2)SCCN(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4","ATVDZMPSVWPAQR-UHFFFAOYSA-N",155534977,NA,"PDBC33363","787979","Present",NA,NA
+"33364","Chembl4471167",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782695",NA,"C1=CC=C2C=C(C=CC2=C1)C3=CC=C(S3)C4=CC=C(S4)C(=N)N","GIGDMLCTBVLVAO-UHFFFAOYSA-N",155534966,NA,"PDBC33364","782695","Present",NA,NA
+"33365","Chembl4472785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784142",NA,"CC1=CC(=NC(=N1)N2CCCC2)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F","GMQQAZDHCFPROE-UHFFFAOYSA-N",71737249,NA,"PDBC33365","784142","Present",NA,NA
+"33366","Chembl4475803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782700",NA,"C1=C(OC(=C1)C2=CC(=CC(=C2)Cl)Cl)C3=CC=C(O3)C(=N)N","XALRAUBRSQGDOZ-UHFFFAOYSA-N",155537959,NA,"PDBC33366","782700","Present",NA,NA
+"33367","Chembl4476309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-(cyclopropylmethoxy)-6'-(3-(isoindolin-2-yl)propoxy)s...",NA,"C1CCC2(C1)C3=CC(=C(C=C3N=C2N)OCCCN4CC5=CC=CC=C5C4)OCC6CC6","BHUFHRHQTFNIPQ-UHFFFAOYSA-N",137349493,NA,"PDBC33367","800740","Present",NA,NA
+"33368","Chembl4476574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798709",NA,"CCCCNC(=O)OC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C4=C(S3)C(=O)C5=CC=CC=C5C4=O","OLJQKFKCUGKGIW-UHFFFAOYSA-N",155538151,NA,"PDBC33368","798709","Present",NA,NA
+"33369","Chembl4482913",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl (R,E)-4-acrylamido-5-(3',5'-dichloro-[1,1'-bipheny...",NA,"CCOC(=O)C=CC(CC1=CC=C(C=C1)C2=CC(=CC(=C2)Cl)Cl)NC(=O)C=C","JEEAKPALVYNEKH-XTXLJPNXSA-N",155539756,NA,"PDBC33369","784935","Present",NA,NA
+"33370","Chembl4516095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-4-(((2-(1-((9H-purin-6-yl)amino)propyl)-4-oxo-3-phen...",NA,"CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC=NC6=C5NC=N6","OLUMCBYQNVOFLW-NRFANRHFSA-N",142506189,NA,"PDBC33370","795502","Present",NA,NA
+"33371","Chembl4516630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772844",NA,"C1=CC(=CC(=C1)C(F)(F)F)C(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","GJFUXDMKXYAXER-UHFFFAOYSA-N",155540164,NA,"PDBC33371","772844","Present",NA,NA
+"33372","Chembl4518669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772828",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)Cl","VUHYEZQODXHMRZ-UHFFFAOYSA-N",155541538,NA,"PDBC33372","772828","Present",NA,NA
+"33373","Chembl4521096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795969",NA,"CC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F)C","DGOVBHLIYNOJOQ-UHFFFAOYSA-N",137701509,NA,"PDBC33373","795969","Present",NA,NA
+"33374","Chembl4521141",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772436",NA,"COC1=CC=C(C=C1)C2=CC=C(S2)C3=CC=C(S3)C(=N)N","JTDLPMKUDNXSPW-UHFFFAOYSA-N",155542367,NA,"PDBC33374","772436","Present",NA,NA
+"33375","Chembl4522978",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772839",NA,"C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)O)Cl)C4=CC=NC=C4)NC(=O)C5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","RKAHEQMRSLRQMF-UHFFFAOYSA-N",155543795,NA,"PDBC33375","772839","Present",NA,NA
+"33376","Chembl4524079",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674190///NSC674191",NA,"[B]C(=O)NC(CC(C)C)C(=O)NC1C(C(=O)C2=C1C=CS2)O.CN(C)C","NIPHMBGWQCSHFU-UHFFFAOYSA-N",6338381,NA,"PDBC33376","674190///674191","Present",NA,NA
+"33377","Chembl4524080",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethylmethanamine;[1-[[2-[(5-hydroxy-6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoylboron",NA,"[B]C(=O)NC(CC(C)C)C(=O)NCC(=O)NC1C(C(=O)C2=C1C=CS2)O.CN(C)C","YNHJHMYHGDBXBJ-UHFFFAOYSA-N",6331387,NA,"PDBC33377","674192","Present",NA,NA
+"33378","Chembl4524533",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771793",NA,"COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC(=C(C(=C3)OC)OC)OC","VYYMOJHULCKDCT-UHFFFAOYSA-N",91973278,NA,"PDBC33378","771793","Present",NA,NA
+"33379","Chembl4524953",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-({3-{(3-ethynylphenyl)amino]-6-nitroquinoxalin-2-yl}am...",NA,"C#CC1=CC(=CC=C1)NC2=NC3=C(C=CC(=C3)[N+](=O)[O-])N=C2NC4=CC=C(C=C4)O","LMJBMGRUIBPLPR-UHFFFAOYSA-N",137190591,NA,"PDBC33379","789620","Present",NA,NA
+"33380","Chembl4525323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Bis(2-methylpyridine)-4-(2-naphthylmethyl)-1,4,7-tri...",NA,"C1=CC=C2C=C(C=CC2=C1)CN(CCNCC3=CC=CC=N3)CCNCC4=CC=CC=N4","JQZJBHLTWMYVSN-UHFFFAOYSA-N",60165592,NA,"PDBC33380","789878","Present",NA,NA
+"33381","Chembl4525336",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784152",NA,"CC1=CC(=NC(=N1)N2CCSCC2)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F","HLPDGZVVJXNEPC-UHFFFAOYSA-N",155543042,NA,"PDBC33381","784152","Present",NA,NA
+"33382","Chembl4526892",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797353",NA,"CCCNNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=CC=C2","MHZUZIALEUTHIU-JLHYYAGUSA-N",137700029,NA,"PDBC33382","797353","Present",NA,NA
+"33383","Chembl4527496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784143",NA,"CC1=CC(=NC(=N1)N2CCOCC2)NCC3=C(C=CC(=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)F","DHJFVBSWOBZTTF-UHFFFAOYSA-N",117827421,NA,"PDBC33383","784143","Present",NA,NA
+"33384","Chembl4527811",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Bicyclo[2.2.1]heptanyl)-3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]thiourea",NA,"COC1=CC=CC(=C1O)C=NNC(=S)NC2CC3CCC2C3","ZHGCJBOHOQMSQH-RQZCQDPDSA-N",135452578,NA,"PDBC33384","328084","Present",NA,NA
+"33385","Chembl4529383",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771508",NA,"COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)N6CCOCC6)C(F)(F)F)Cl","POYNGYKPPZJPST-UHFFFAOYSA-N",155545239,NA,"PDBC33385","771508","Present",NA,NA
+"33386","Chembl4529472",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-methoxy-3-{2-[5-(4-methoxyphenyl)-3-(naphthalen-2- yl)...",NA,"COC1=CC=C(C=C1)C2CC(=NN2C3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)OC)O)C6=CC7=CC=CC=C7C=C6","JZFJTJAQQYXTQB-UHFFFAOYSA-N",155545598,NA,"PDBC33386","783155","Present",NA,NA
+"33387","Chembl4530505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(1H-indol-6-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphe...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N2)C3=CC4=C(C=C3)C=CN4","ZWYWKMGQZNGTAQ-UHFFFAOYSA-N",67120426,NA,"PDBC33387","789793","Present",NA,NA
+"33388","Chembl4532384",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783834",NA,"COC1=CC2=C(C=C1)C3=C(CC2)NN=C3C4=CC(=C(C(=C4)OC)OC)OC","HGVPEUJPOPWOGE-UHFFFAOYSA-N",141477178,NA,"PDBC33388","783834","Present",NA,NA
+"33389","Chembl4534884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762891",NA,"CC1=CC=C(C=C1)C2=NC(=NC(=N2)N3CCN(CC3)C4=CC=CC=N4)NCCOCCOCCN","HEOCSZWCFAYIOI-UHFFFAOYSA-N",23787254,NA,"PDBC33389","762891","Present",NA,NA
+"33390","Chembl4536096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N(p-Chlorophenyl),N'{2-(4-phenylene)benzoxazole}thiourea",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl","ZSAQTQMZKKFNOU-UHFFFAOYSA-N",24202660,NA,"PDBC33390","725664","Present",NA,NA
+"33391","Chembl4540226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(2-Amino-ethylsulfanyl)-3-isopro pyl-1H-pyrazolo[4,3-...",NA,"CC(C)C1=C2C(=NN1)C(=NC(=N2)SCCN)NCC3=CC=C(C=C3)C4=CC=CC=N4","PCQPAKMJSYGXRE-UHFFFAOYSA-N",138105941,NA,"PDBC33391","787980","Present",NA,NA
+"33392","Chembl4543206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785027",NA,"CC1=CC2=C(C=CC=C2N1C3=NC4=C(CCCC4)C(=N3)NCC5=CC=CC=C5)C(=O)NCC#N","BJEDNWJTPINJID-UHFFFAOYSA-N",155510502,NA,"PDBC33392","785027","Present",NA,NA
+"33393","Chembl4545175",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772825",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)N6CCOCC6)C(F)(F)F)Cl","AKWIVZMGYKDVPV-UHFFFAOYSA-N",155552761,NA,"PDBC33393","772825","Present",NA,NA
+"33394","Chembl4546265",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782754",NA,"CC1=CC(=NC(=N1)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)F)N5CCOCC5","JXVZLOCHZNFCQU-UHFFFAOYSA-N",155553473,NA,"PDBC33394","782754","Present",NA,NA
+"33395","Chembl4551900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772838",NA,"C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5)C(F)(F)F","NZZNRKNBXGZLGH-UHFFFAOYSA-N",155555559,NA,"PDBC33395","772838","Present",NA,NA
+"33396","Chembl4553144",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772827",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)Cl","VFOKXQSPITZZJM-UHFFFAOYSA-N",155510358,NA,"PDBC33396","772827","Present",NA,NA
+"33397","Chembl4553726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789520",NA,"C1=CC2=C(C(=C1)OCCN=[N+]=[N-])C(=O)C3=C(C2=O)C=C(C=C3OCCN=[N+]=[N-])NC(=O)CCl","OGZTZYVYGUMFAU-UHFFFAOYSA-N",72943679,NA,"PDBC33397","789520","Present",NA,NA
+"33398","Chembl4555219",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-bromo-3-{2-[5-(4-methoxyphenyl)-3-(naphthalen-2- yl)-4...",NA,"COC1=CC=C(C=C1)C2CC(=NN2C3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)Cl)O)C6=CC7=CC=CC=C7C=C6","CSPZQNIRJZLJQO-UHFFFAOYSA-N",155556421,NA,"PDBC33398","783154","Present",NA,NA
+"33399","Chembl4558932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785025",NA,"CC1=CC2=C(C=CC=C2N1C3=NC4=C(CCCC4)C(=N3)NCC5=CC=CC=C5)NC(=O)C#C","RKCSJJATGAWCBK-UHFFFAOYSA-N",155557471,NA,"PDBC33399","785025","Present",NA,NA
+"33400","Chembl4559825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772821",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl","XFDWYCZIKCNVGE-UHFFFAOYSA-N",155558046,NA,"PDBC33400","772821","Present",NA,NA
+"33401","Chembl4561055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772843",NA,"C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=C(C(=N4)C5=CC(=C(C=C5)O)Cl)C6=CC=NC=C6)C(F)(F)F","GLMGJDNOYRMKOQ-UHFFFAOYSA-N",155558413,NA,"PDBC33401","772843","Present",NA,NA
+"33402","Chembl4564714",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789519",NA,"CCOC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3OCC)NC(=O)CCl","XJEWVCSTXGINMO-UHFFFAOYSA-N",72943676,NA,"PDBC33402","789519","Present",NA,NA
+"33403","Chembl4567853",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782755",NA,"CC1=CC(=NC(=N1)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)F)N5CCN(CC5)C","OKLPIIUMXPUQOD-UHFFFAOYSA-N",155560363,NA,"PDBC33403","782755","Present",NA,NA
+"33404","Chembl4568688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784150",NA,"CC1=CC(=NC(=N1)NCC2=C(C=CC(=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)F)N5CCCC5","HMOGLGIRIMBZNW-UHFFFAOYSA-N",155560383,NA,"PDBC33404","784150","Present",NA,NA
+"33405","Chembl4570069",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797929",NA,"CNCCN1C2=C(C=CC3=CC4=C(C=C32)OCO4)C5=CC(=C(C=C5C1=O)OC)OC","ISACNBGFGVEWCJ-UHFFFAOYSA-N",146306862,NA,"PDBC33405","797929","Present",NA,NA
+"33406","Chembl4570572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772842",NA,"C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)O)Cl)C4=CC=NC=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl","KRMRDFLUGLENAH-UHFFFAOYSA-N",155562891,NA,"PDBC33406","772842","Present",NA,NA
+"33407","Chembl4576108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771510",NA,"COC1=CC(=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)Cl","NCIAIIVXYRPTDW-UHFFFAOYSA-N",155564359,NA,"PDBC33407","771510","Present",NA,NA
+"33408","Chembl4578757",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-4-(((2-(1-((6-amino-5-cyanopyrimidin-4-yl)amino)prop...",NA,"CCC(C1=NC2=C(C(=CC=C2)NCC3=CC=C(C=C3)C(=O)NO)C(=O)N1C4=CC=CC=C4)NC5=NC=NC(=C5C#N)N","VJLNHSPZSRHJHG-QFIPXVFZSA-N",146585699,NA,"PDBC33408","800376","Present",NA,NA
+"33409","Chembl4580281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(1,3-benzothiazol-6-yl)-2-(4-(2-(1,3-dioxo-2,3-dihydr...",NA,"C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(=O)NC5=CC6=C(C=C5)N=CS6","AYJXNNDSGPWNSJ-UHFFFAOYSA-N",155565464,NA,"PDBC33409","761409","Present",NA,NA
+"33410","Chembl4581324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782698",NA,"COC1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(O3)C(=N)N","AENMSUHYKVCGSC-UHFFFAOYSA-N",155561363,NA,"PDBC33410","782698","Present",NA,NA
+"33411","Chembl4582520",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-((1-(4-fluorobenzyl)-1H-1,2,3-triazol-4-yl)meth...",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC3=CN(N=N3)CC4=CC=C(C=C4)F","HWQWYLLNZGNMJS-YRNVUSSQSA-N",155562274,NA,"PDBC33411","765798","Present",NA,NA
+"33412","Chembl4582669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799899",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)Cl)S(=O)(=O)NC3=C(N=C(NC3=O)SC)N","ZCFQSDCBUSJKCY-WEVVVXLNSA-N",155558074,NA,"PDBC33412","799899","Present",NA,NA
+"33413","Chembl4586688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782014",NA,"C1=CC=C2C(=C1)C=NC=C2C3=CC=C(S3)C4=CC=C(S4)C(=N)N","KISLJRQENADLHQ-UHFFFAOYSA-N",155567109,NA,"PDBC33413","782014","Present",NA,NA
+"33414","Chembl4587032",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782701",NA,"C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(O3)C(=N)N)Cl","MAQVMKFPSDUDPK-UHFFFAOYSA-N",155566509,NA,"PDBC33414","782701","Present",NA,NA
+"33415","Chembl4589373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((2-(3-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoro...",NA,"CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)NC3=NC4=C(S3)C=C(C=C4)OC5=CC(=NC=C5)C(=O)NC)C(F)(F)F","SQQPRORGDVPLSI-UHFFFAOYSA-N",142736778,NA,"PDBC33415","781168","Present",NA,NA
+"33416","Chembl4593051",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802117",NA,"CCN1C2=NC=NC(=C2C(=N1)C#CC3=C(C=CC4=C3C=CN=C4NC5=CC=C(C=C5)Cl)C)N","AZFFXPMHTGBCGM-UHFFFAOYSA-N",138403232,NA,"PDBC33416","802117","Present",NA,NA
+"33417","Chembl4593398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-(trifluoromethyl)-1H-pyrazol-4-yl)-8,9,10,11-tetrah...",NA,"C1CCC2=C(C1)C3=C(C=CC4=C3C=NN4)N=C2C5=C(NN=C5)C(F)(F)F","VWBUFGGJMMUSBL-UHFFFAOYSA-N",142445421,NA,"PDBC33417","801415","Present",NA,NA
+"33418","Chembl4596381",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-bromo-3-[6-(2,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]t...",NA,"COC1=CC(=C(C=C1)OC)C2=CN3C(=N2)SC(=N3)C4=CNC5=C4C=C(C=C5)Br","UENNCOBVCSWKBK-UHFFFAOYSA-N",155518857,NA,"PDBC33418","801601","Present",NA,NA
+"33419","Chembl4597954",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl...",NA,"CCCNNC(=O)C=CC1=CC=C(C=C1)CNCCC2=C(NC3=CC=CC=C32)C","VGRNFHJXEIFRTK-OUKQBFOZSA-N",139558701,NA,"PDBC33419","797352","Present",NA,NA
+"33420","Chimaphilin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chimaphilin",NA,"CC1=CC2=C(C=C1)C(=O)C=C(C2=O)C","YZACZIYTZCJVSN-UHFFFAOYSA-N",101211,NA,"PDBC33420","400245","Present",NA,NA
+"33421","Chimyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chimyl alcohol",NA,"CCCCCCCCCCCCCCCCOCC(CO)O","OOWQBDFWEXAXPB-UHFFFAOYSA-N",72733,NA,"PDBC33421","59269","Present",NA,NA
+"33422","Chinomethionat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinomethionate",NA,"CC1=CC2=C(C=C1)N=C3C(=N2)SC(=O)S3","FBQQHUGEACOBDN-UHFFFAOYSA-N",17109,NA,"PDBC33422","379587","Present",NA,NA
+"33423","Chitosanbiguanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chitosanbiguanide",NA,NA,NA,NA,NA,"PDBC33423","372162","Present",NA,NA
+"33424","Chlorasquin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorasquin",NA,"C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl","GWIBVUFMBFNYLT-UHFFFAOYSA-N",353016,NA,"PDBC33424","529861","Present",NA,NA
+"33425","Chlorfenazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorfenazole",NA,"C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)Cl","OILIYWFQRJOPAI-UHFFFAOYSA-N",77123,NA,"PDBC33425","128751","Present",NA,NA
+"33426","Chlorinated cyclohexane der 4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHLORINATED CYCLOHEXANE DER 4",NA,"CC1(CC(C(CC1Cl)Cl)(C)Cl)C=CCl","UIRLQTKDEMKKKG-ONEGZZNKSA-N",5478047,NA,"PDBC33426","377686","Present",NA,NA
+"33427","Chloro(1-phenylbutane-1,3-dionato)(propionic acid ethyl ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloro(1-phenylbutane-1,3-dionato)(propionic acid ethyl ...",NA,NA,NA,NA,NA,"PDBC33427","639101","Present",NA,NA
+"33428","Chloro(N,N-diethyl-2-aminoethanolato)bis(1-phenylbutane-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloro(N,N-diethyl-2-aminoethanolato)bis(1-phenylbutane-...",NA,NA,NA,NA,NA,"PDBC33428","639611","Present",NA,NA
+"33429","Chloro(cyclohexanecarboxylato)bis(1-phenyl- 1,3-butanedi...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloro(cyclohexanecarboxylato)bis(1-phenyl- 1,3-butanedi...",NA,NA,NA,NA,NA,"PDBC33429","638373","Present",NA,NA
+"33430","Chloro(phenyl-4-carboxy-1-carboxylato)bis(1-phenylbutane...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloro(phenyl-4-carboxy-1-carboxylato)bis(1-phenylbutane...",NA,NA,NA,NA,NA,"PDBC33430","639595","Present",NA,NA
+"33431","Chloro-(3,5-dibromophenyl)mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC43223",NA,"C1=C(C=C(C=C1Br)[Hg]Cl)Br","QRPPWONIPRRITK-UHFFFAOYSA-M",412934,NA,"PDBC33431","43223","Present",NA,NA
+"33432","Chloro-(5-chlorothiophen-2-yl)mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloro-(5-chlorothiophen-2-yl)mercury",NA,"C1=C(SC(=C1)[Hg]Cl)Cl","ZZBFMMAHFSAXRH-UHFFFAOYSA-M",407288,NA,"PDBC33432","3840","Present",NA,NA
+"33433","Chloro-9-[[3-(diethylamino)propyl]amino]-2-methoxyacridine, dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHLORO-9-[[3-(DIETHYLAMINO)PROPYL]AMINO]-2-METHOXYACRIDI...",NA,"CCN(CC)CCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl","JQXKUFYMRDWBEU-UHFFFAOYSA-N",24180741,NA,"PDBC33433","353","Present",NA,NA
+"33434","Chloro-[(1-nitrocyclohexyl)methyl]mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloro-[(1-nitrocyclohexyl)methyl]mercury",NA,NA,NA,NA,NA,"PDBC33434","623650","Present",NA,NA
+"33435","Chloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]copper",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]copper",NA,NA,NA,NA,NA,"PDBC33435","625862","Present",NA,NA
+"33436","Chloro-methoxy-tetrangulol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloro-methoxy-tetrangulol",NA,"COC1=CC=CC2=C1C(=O)C3=C(C2=O)C4=C(C=C(C=C4C=C3)CCl)O","AQHNYGYYHAXGLC-UHFFFAOYSA-N",379540,NA,"PDBC33436","664215","Present",NA,NA
+"33437","Chloroacetyl-D-beta-hydroxynorleucine B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloroacetyl-D-.beta.-hydroxynorleucine B",NA,"CCCC(C(C(=O)O)NC(=O)CCl)O","FRPZIFQAOIMHIS-UHFFFAOYSA-N",266114,NA,"PDBC33437","270568","Present",NA,NA
+"33438","Chloroacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloroacrone",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)Cl","NQUKUMYSMYTFRJ-UHFFFAOYSA-N",364453,NA,"PDBC33438","630714","Present",NA,NA
+"33439","Chlorobiocin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clorobiocin",NA,"CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CC(=C(C=C5)O)CC=C(C)C)O)Cl)O","FJAQNRBDVKIIKK-UHFFFAOYSA-N",54677920,NA,"PDBC33439","227186","Present",NA,NA
+"33440","Chlorobis(1-phenylbutane-1,3-dionato)(.alpha.-phenylacet...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorobis(1-phenylbutane-1,3-dionato)(.alpha.-phenylacet...",NA,NA,NA,NA,NA,"PDBC33440","639613","Present",NA,NA
+"33441","Chlorobis(1-phenylbutane-1,3-dionato)lanthane(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorobis(1-phenylbutane-1,3-dionato)lanthane(III)",NA,NA,NA,NA,NA,"PDBC33441","647039","Present",NA,NA
+"33442","Chlorobis(2-hydroxypyridinato-O-)bismuth(III)-dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorobis(2-hydroxypyridinato-O-)bismuth(III)- dihydroch...",NA,"C1=CC=NC(=C1)O[Bi](OC2=CC=CC=N2)Cl.Cl","MTNQIKOKYMSETK-UHFFFAOYSA-K",16683565,NA,"PDBC33442","632812","Present",NA,NA
+"33443","Chlorobis(4-ethyltropolonato)bismuth(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorobis(4-ethyltropolonato)bismuth(III)",NA,NA,NA,NA,NA,"PDBC33443","634368","Present",NA,NA
+"33444","Chlorobis(4-isopropyltropolonato)bismuth(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorobis(4-isopropyltropolonato)bismuth(III)",NA,NA,NA,NA,NA,"PDBC33444","634372","Present",NA,NA
+"33445","Chlorobis(4-methyltropolonato)bismuth(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorobis(4-methyltropolonato)bismuth(III)",NA,NA,NA,NA,NA,"PDBC33445","634369","Present",NA,NA
+"33446","Chlorobis[1-phenylbutane-1,3-dionato](pyridine-2-olato) ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorobis[1-phenylbutane-1,3-dionato](pyridine-2-olato) ...",NA,NA,NA,NA,NA,"PDBC33446","639612","Present",NA,NA
+"33447","Chlorobisoximatobismuth(III)-dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorobisoximatobismuth(III)-dihydrochloride",NA,NA,NA,NA,NA,"PDBC33447","631888","Present",NA,NA
+"33448","Chlorocopper(1+); N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorocopper(1+); N-[(E)-1-(2-pyridyl)ethylideneamino]azepane-1-carbothioamide",NA,NA,NA,NA,NA,"PDBC33448","635450","Present",NA,NA
+"33449","Chlorocopper;3,17,20,34-tetramethoxy-10,27-dimethyl-6,14,23,31-tetrazaheptacyclo[30.2.2.22,5.215,18.219,22.18,12.125,29]tetratetraconta-1(34),2,4,6,8,10,12(42),13,15,17,19,21,23,25(37),26,28,30,32,35,",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorocopper;3,17,20,34-tetramethoxy-10,27-dimethyl-6,14,23,31-tetrazaheptacyclo[30.2.2.22,5.215,18.219,22.18,12.125,29]tetratetraconta-1(34),2,4,6,8,10,12(42),13,15,17,19,21,23,25(37),26,28,30,32,35,",NA,NA,NA,NA,NA,"PDBC33449","650966","Present",NA,NA
+"33450","Chlorodestruxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorodestruxin",NA,"CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(CCl)O)C)C)C(C)C)C","WUTLOXOGFQPKLT-WKUMDAGRSA-N",370710,NA,"PDBC33450","644211","Present",NA,NA
+"33451","Chlorodiphenylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-509008",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)O)Cl","UJRMHFPTLFNSTA-UHFFFAOYSA-N",81990,NA,"PDBC33451","400464","Present",NA,NA
+"33452","Chloroethyl nitrosourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHLOROETHYL NITROSOUREA",NA,"C1CC(N(C1)C(=O)N(CCCl)N=O)C(=O)N","ZOBZYPPNZPDEHJ-UHFFFAOYSA-N",384189,NA,"PDBC33452","673531","Present",NA,NA
+"33453","Chloroform/methanol extract from bulbs of parncratium ma...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloroform/methanol extract from bulbs of parncratium ma...",NA,NA,NA,NA,NA,"PDBC33453","654490","Present",NA,NA
+"33454","Chloroform/methanol extract from pancratium maritimum L....",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654491///NSC654492///NSC654493///NSC654494///NSC654495///NSC654496///NSC654497",NA,NA,NA,NA,NA,"PDBC33454","654491///654492///654493///654494///654495///654496///654497","Present",NA,NA
+"33455","Chlorolissoclimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chlorolissoclimide",NA,"CC1(CC(CC2(C1CC(C(=C)C2CC(C3CC(=O)NC3=O)O)O)C)Cl)C","LCBZIVZSFYGPBC-LWHFJPTFSA-N",127675,NA,"PDBC33455","787484","Present",NA,NA
+"33456","Chloromethyl (3R,6S)-3,6-dihydroxy-4-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloromethyl (3R,6S)-3,6-dihydroxy-4-methoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1-carboxylate",NA,"COC1C2CC(CCC2C(CC1O)C(=O)OCCl)O","WQYCZHGVAMMJAK-DDJIDQKLSA-N",359227,NA,"PDBC33456","619936","Present",NA,NA
+"33457","Chloromethyl 5-methyl-2-furyl ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 2-chloro-1-(5-methyl-2-furanyl)-",NA,"CC1=CC=C(O1)C(=O)CCl","YEHJEWOPQMOFSP-UHFFFAOYSA-N",297319,NA,"PDBC33457","168430","Present",NA,NA
+"33458","Chloromethyl(diethyl)phosphine sulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloromethyl(diethyl)phosphine sulfide",NA,"CCP(=S)(CC)CCl","RMBNXAMYQBGCAQ-UHFFFAOYSA-N",383115,NA,"PDBC33458","671159","Present",NA,NA
+"33459","Chlorooxobis(2,4-pentanedione)vanadium(V)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorooxobis(2,4-pentanedione)vanadium(V)",NA,"CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.O=[V].[Cl-]","OXRSFMHKDANLGL-UHFFFAOYSA-M",364991,NA,"PDBC33459","631893","Present",NA,NA
+"33460","Chloroplatinum(1+); 2-diphenylphosphanyl-N,N-dimethyl-ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloroplatinum(1+); 2-diphenylphosphanyl-N,N-dimethyl-ethanamine",NA,NA,NA,NA,NA,"PDBC33460","685470","Present",NA,NA
+"33461","Chloroplatinum(1+);2-(4-methylpiperidin-1-yl)ethanethiolate;dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloroplatinum(1+);2-(4-methylpiperidin-1-yl)ethanethiolate;dihydrate",NA,NA,NA,NA,NA,"PDBC33461","292596","Present",NA,NA
+"33462","Chloroquine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloroquine sulfate",NA,"CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OS(=O)(=O)O","OJPWHUOVKVKBQB-UHFFFAOYSA-N",91441,NA,"PDBC33462","292296","Present",NA,NA
+"33463","Chlorotetrangulol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotetrangulol",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C4=C(C=C(C=C4C=C3)CCl)O","QCKRRTWPKGTEKP-UHFFFAOYSA-N",379538,NA,"PDBC33463","664213","Present",NA,NA
+"33464","Chlorotris(.alpha.-dihydrofucosterolato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotris(.alpha.-dihydrofucosterolato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC33464","638382","Present",NA,NA
+"33465","Chlorotris(1,3-dionato)hafnium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotris(1,3-diphenylpropane-1,3-dionato)hafnium(IV)",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Cl-].[Hf+4]","YXCSFTVRHCLGGK-UHFFFAOYSA-M",11979324,NA,"PDBC33465","635895","Present",NA,NA
+"33466","Chlorotris(1,3-dionato)zirconium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotris(1,3-diphenylpropane-1,3-dionato)zirconium(IV)",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Cl-].[Zr+4]","ZKOAAXSNAZELHB-UHFFFAOYSA-M",11979327,NA,"PDBC33466","635899","Present",NA,NA
+"33467","Chlorotris(1-phenylbutane-1,3-dionato)hafnium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotris(1-phenylbutane-1,3-dionato)hafnium(IV)",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Cl-].[Hf+4]","JIOTUAUXQOUMEV-UHFFFAOYSA-M",11979325,NA,"PDBC33467","635896","Present",NA,NA
+"33468","Chlorotris(3-phenylpentane-2,4-dionato)zirconium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotris(3-phenylpentane-2,4-dionato)zirconium(IV)",NA,"CC(=O)[C-](C1=CC=CC=C1)C(=O)C.CC(=O)[C-](C1=CC=CC=C1)C(=O)C.CC(=O)[C-](C1=CC=CC=C1)C(=O)C.[Cl-].[Zr+4]","SIKLOZBLFBHRPV-UHFFFAOYSA-M",367481,NA,"PDBC33468","637222","Present",NA,NA
+"33469","Chlorotris(chinoline-8-olato)titanium(IV)-trihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotris(chinoline-8-olato)titanium(IV)-trihydrochloride",NA,NA,NA,NA,NA,"PDBC33469","638736","Present",NA,NA
+"33470","Chlorotris(pentane-2,4-dionato)hafnium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotris(pentane-2,4-dionato)hafnium(IV)",NA,"CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Cl-].[Hf+4]","DDMMQFOIPFPYSE-UHFFFAOYSA-M",366535,NA,"PDBC33470","635144","Present",NA,NA
+"33471","Chlorotris(pyridine-3-olato)titanium(IV)-trishydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotris(pyridine-3-olato)titanium(IV)-trishydrochloride",NA,NA,NA,NA,NA,"PDBC33471","638739","Present",NA,NA
+"33472","Chlorotris[(purine-6-olato)-9.beta.-D-ribofuranoside-5'-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotris[(purine-6-olato)-9.beta.-D-ribofuranoside-5'-...",NA,NA,NA,NA,NA,"PDBC33472","639097","Present",NA,NA
+"33473","Chlorotristropolonatosilicon(IV)-hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorotristropolonatosilicon(IV)-hydrate",NA,NA,NA,NA,NA,"PDBC33473","632739","Present",NA,NA
+"33474","Chlorozorubicin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorozorubicin hydrochloride",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC=C(C=C6)Cl)C)O)N)O.Cl","TWPKQOAFJZUCMV-FYBMHLGZSA-N",54610692,NA,"PDBC33474","219977","Present",NA,NA
+"33475","Chloro{bis[2-(dimethylamino)benzyl]}gallium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chloro{bis[2-(dimethylamino)benzyl]}gallium",NA,"CN(C)C1=CC=CC=C1C[Ga](CC2=CC=CC=C2N(C)C)Cl","JNYJTUPAZIWHIV-UHFFFAOYSA-M",378840,NA,"PDBC33475","662157","Present",NA,NA
+"33476","Chlorpenthixol dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC169185///NSC78203",NA,"C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl","BUVIOIVVDWLSMQ-RZFZGDDESA-N",54605973,NA,"PDBC33476","169185///78203","Present",NA,NA
+"33477","Chlorpropham",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cipc",NA,"CC(C)OC(=O)NC1=CC(=CC=C1)Cl","CWJSHJJYOPWUGX-UHFFFAOYSA-N",2728,NA,"PDBC33477","29466","Present",NA,NA
+"33478","Chlorsulfaquinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHLOROQUINOXALINE SULFONAMIDE",NA,"C1=CC2=NC(=CN=C2C(=C1)Cl)NS(=O)(=O)C3=CC=C(C=C3)N","CTSNHMQGVWXIEG-UHFFFAOYSA-N",72462,NA,"PDBC33478","339004","Present",NA,NA
+"33479","Cholane-3,24-diyl dimethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,8R,9S,10R,13S)-10,13-dimethyl-17-((R)-5-(methylsulfo...",NA,"CC(CCCOS(=O)(=O)C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OS(=O)(=O)C)C)C","BPEDHERWENDULB-MPCGXDHWSA-N",249374,NA,"PDBC33479","67657","Present",NA,NA
+"33480","Chonemorphine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chonemorphine",NA,"CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N)C)C)N(C)C","MJGLREGOLPEPID-ISIQIBQJSA-N",54612857,NA,"PDBC33480","748909","Present",NA,NA
+"33481","Chrestfoline C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chrestfoline C",NA,"CC1=CC2=C(C3=C1OC(C=C3)(C)CCC=C(C)C)N(C4=CC=CC=C42)CC5=CC6=C(C(=C5)OC)NC7=CC=CC=C76","WZDZCOAWFXDCTD-UHFFFAOYSA-N",375157,NA,"PDBC33481","654291","Present",NA,NA
+"33482","Chrestifoline A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chrestifoline A",NA,"CC1=CC(=C2C(=C1CC3=CC4=C(C(=C3)OC)NC5=CC=CC=C54)C6=CC=CC=C6N2)OC","DOOBXUMQHNVKJS-UHFFFAOYSA-N",375159,NA,"PDBC33482","654293","Present",NA,NA
+"33483","Chrome Brown EB",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chrome brown eb",NA,"C1=CC2=C(C=CC=C2S(=O)(=O)O)C(=C1)N=NC3=CC(=C(C=C3N)N)N=NC4=C(C=CC(=C4)[N+](=O)[O-])O.[Na+]","KHXQQMBFMDTPSD-UHFFFAOYSA-N",135502249,NA,"PDBC33483","326197","Present",NA,NA
+"33484","Chrome Violet B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chrome violet r",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)S(=O)(=O)O)O)O.[Na+]","BEQIIZJSZSVJJK-UHFFFAOYSA-N",135421796,NA,"PDBC33484","12453","Present",NA,NA
+"33485","Chromeno[2,3-b]pyrazin-10-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10H-Chromeno[2,3-b]pyrazin-10-one",NA,"C1=CC=C2C(=C1)C(=O)C3=NC=CN=C3O2","AQUFPAJSHNJKME-UHFFFAOYSA-N",363959,NA,"PDBC33485","629496","Present",NA,NA
+"33486","Chromeno[2,3-f]quinolin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chromeno[2,3-f]quinolin-7-one",NA,"C1=CC=C2C(=C1)C(=O)C3=C(O2)C4=C(C=C3)N=CC=C4","MDEPZIXJRCRRHW-UHFFFAOYSA-N",385093,NA,"PDBC33486","676028","Present",NA,NA
+"33487","Chromium pentacarbonyl aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chromium pentacarbonyl aniline",NA,"[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N.[Cr]","LWEURJMFDIKQDC-UHFFFAOYSA-N",24194810,NA,"PDBC33487","173767","Present",NA,NA
+"33488","Chromomycin A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chromomycin A2",NA,"CC1C(C(CC(O1)OC2C(CC3C=C4C=C(C(C(=O)C4=C(C3=C2O)O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C(C)C)(C)O)O","RQQLRUCQWPARKY-UHFFFAOYSA-N",421163,NA,"PDBC33488","131187","Present",NA,NA
+"33489","Chromone-3-carboxaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-3-carboxaldehyde, 4-oxo-",NA,"C1=CC=C2C(=C1)C(=O)C(=CO2)C=O","FSMYWBQIMDSGQP-UHFFFAOYSA-N",87112,NA,"PDBC33489","291317","Present",NA,NA
+"33490","Chromotrope 10B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"c.i. 16640",NA,"C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)O)O.[Na+]","HVCFSRJYAKZQEA-UHFFFAOYSA-N",135421966,NA,"PDBC33490","45208","Present",NA,NA
+"33491","Chrysanthemic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chrysanthemic acid",NA,"CC(=CC1C(C1(C)C)C(=O)O)C","XLOPRKKSAJMMEW-UHFFFAOYSA-N",2743,NA,"PDBC33491","11779","Present",NA,NA
+"33492","Chrysene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benz[a]phenanthrene",NA,"C1=CC=C2C(=C1)C=CC3=C2C=CC4=CC=CC=C43","WDECIBYCCFPHNR-UHFFFAOYSA-N",9171,NA,"PDBC33492","6175","Present",NA,NA
+"33493","Chrysene Phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chrysene Phosphinic acid",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)[P+](=O)O","AWEIVASQUMLFDC-UHFFFAOYSA-O",6330741,NA,"PDBC33493","617339","Present",NA,NA
+"33494","Chrysomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Albacarcin V",NA,"CC1C(C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)(C)O)O","OMDANBMKOUVKAG-UHFFFAOYSA-N",122815,NA,"PDBC33494","354844","Present",NA,NA
+"33495","Cianidanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cianidol",NA,"C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O","PFTAWBLQPZVEMU-DZGCQCFKSA-N",9064,NA,"PDBC33495","2819","Present",NA,NA
+"33496","Ciclobendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ciclobendazole",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3CC3","OXLKOMYHDYVIDM-UHFFFAOYSA-N",35803,NA,"PDBC33496","335307","Present",NA,NA
+"33497","Ciclopirox olamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC336278///NSC756694",NA,"CC1=CC(=O)N(C(=C1)C2CCCCC2)O.C(CO)N","MBRHNTMUYWQHMR-UHFFFAOYSA-N",38911,NA,"PDBC33497","336278///756694","Present",NA,NA
+"33498","Ciforadenant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CPI-444",NA,"CC1=CC=C(O1)C2=C3C(=NC(=N2)N)N(N=N3)CC4=NC(=CC=C4)COC5CCOC5","KURQKNMKCGYWRJ-HNNXBMFYSA-N",44537963,NA,"PDBC33498","801812","Present",NA,NA
+"33499","Cilengitide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cilengitide","Cilengitide",NA,"CC(C)C1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1C)CC2=CC=CC=C2)CC(=O)O)CCCN=C(N)N","AMLYAMJWYAIXIA-VWNVYAMZSA-N",176873,NA,"PDBC33499","774651","Present",NA,NA
+"33500","Cilloral",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cillin",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.[K+]","IYNDLOXRXUOGIU-UHFFFAOYSA-N",44134885,NA,"PDBC33500","131815","Present",NA,NA
+"33501","Cilnidipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cilnidipine",NA,NA,"CC1=C(C(C(=C(N1)C)C(=O)OCC=CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCCOC","KJEBULYHNRNJTE-DHZHZOJOSA-N",5282138,NA,"PDBC33501",NA,"Absent",NA,NA
+"33502","Cimiaceroside A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cimiaceroside A",NA,"CC1C2C(CC3(C2(CCC45C3=CCC6C4(C5)CCC(C6(C)C)OC7C(C(C(CO7)O)O)O)C)C)OC8(C1OC(C8O)(C)C)O","SUWXCVINJBVOAI-GAIXJHAKSA-N",398800,NA,"PDBC33502","708936","Present",NA,NA
+"33503","Cimicifugoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cimicifugoside",NA,"CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(C(CC67CC68CCC(C(C8CC=C7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C","XUJMHSCMPCZWOV-XVGSJRLISA-N",399179,NA,"PDBC33503","709751","Present",NA,NA
+"33504","Cinerubin A hcl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cinerubin a hcl",NA,"CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O.Cl","ACPRCYNYDVWPJV-BLZBDMHNSA-N",24196924,NA,"PDBC33504","243022","Present",NA,NA
+"33505","Cinerubin A hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cinerubin A hydrochloride",NA,"CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O","STUJMJDONFVTGM-UHFFFAOYSA-N",428786,NA,"PDBC33505","267694","Present",NA,NA
+"33506","Cinerubin B hcl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cinerubin b///cinerubin b hcl",NA,"CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC7C(C(O6)C)OC8C(O7)CC(=O)C(O8)C)N(C)C)O","ZBDDFHXUDIPRSM-UHFFFAOYSA-N",409071,NA,"PDBC33506","18335///243023","Present",NA,NA
+"33507","Cinerubine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cinerubin a",NA,"CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CCC(=O)C(O7)C)O)N(C)C)O","STUJMJDONFVTGM-CEPMKHARSA-N",122802,NA,"PDBC33507","18334","Present",NA,NA
+"33508","Cinnamodial B812927K060",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CINNAMODIAL B812927K060",NA,"CC(=O)OC1C=C(C(C2(C1C(CCC2)(C)C)C)(C=O)O)C=O","UKLMEFSRPRDOLD-UHFFFAOYSA-N",321973,NA,"PDBC33508","277293","Present",NA,NA
+"33509","Cinnamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cinnamycin",NA,NA,NA,NA,NA,"PDBC33509","71936","Present",NA,NA
+"33510","Cinnamylideneacetophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC406761",NA,"C1=CC=C(C=C1)C=CC=CC(=O)C2=CC=CC=C2","QONKLJMPKWQQFG-HPIZBCMHSA-N",1549519,NA,"PDBC33510","406761","Present",NA,NA
+"33511","Cinnolin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cinnolin-5-amine",NA,"C1=CC(=C2C=CN=NC2=C1)N","DRQWPSJVDHBHKF-UHFFFAOYSA-N",387103,NA,"PDBC33511","680494","Present",NA,NA
+"33512","Cinnoline, 2,3-dihydro-2-[(2-methylphenyl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cinnoline, 2,3-dihydro-2-[(2-methylphenyl)methyl]-",NA,"CC1=CC=CC=C1CN2CC=C3C=CC=CC3=N2","LBHPAJAFPKKCPZ-UHFFFAOYSA-N",368584,NA,"PDBC33512","639680","Present",NA,NA
+"33513","Cinnoline, 4-nitro-, 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cinnoline, 4-nitro-, 1-oxide",NA,"C1=CC=C2C(=C1)C(=CN=[N+]2[O-])[N+](=O)[O-]","HEOBQABYEWTBLN-UHFFFAOYSA-N",100397,NA,"PDBC33513","294846","Present",NA,NA
+"33514","Cintirorgon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LYC-55716",NA,"CC(C)(CC1CN(C2=C(O1)C=CC(=C2)C3=CC(=CC(=C3)F)OC(F)F)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)C(=O)O","GULSIMHVQYBADX-FQEVSTJZSA-N",124126348,NA,"PDBC33514","803601","Present",NA,NA
+"33515","Ciprofloxacin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ciprofloxacin hydrochloride",NA,"C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O.Cl","DIOIOSKKIYDRIQ-UHFFFAOYSA-N",62999,NA,"PDBC33515","620634","Present",NA,NA
+"33516","Cirensenoxide G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cirensenoxide g",NA,"CC1C(C(C(C(O1)OC2C(OC(C(C2O)O)OCC3C(C(C(C(O3)OC(=O)C45CCC(C4C6CCC7C8(CCC(C(C8CCC7(C6(CC5)C)C)(C)CO)O)C)C(=C)C)O)O)O)CO)O)O)O","VNTZDFZAGFBUPV-LLIXODNKSA-N",399208,NA,"PDBC33516","709882","Present",NA,NA
+"33517","Cirolerosus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cirolerosus",NA,NA,NA,NA,NA,"PDBC33517","77950","Present",NA,NA
+"33518","Cis-dibromocarbonylacetonitrile-bis-(triphenylphosphine)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cis-dibromocarbonylacetonitrile-bis-(triphenylphosphine)...",NA,NA,NA,NA,NA,"PDBC33518","634761","Present",NA,NA
+"33519","Cisaprida",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cisapride;HY-14149;CS-1762",NA,"COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCOC3=CC=C(C=C3)F","DCSUBABJRXZOMT-IRLDBZIGSA-N",6917698,NA,"PDBC33519","785572","Present",NA,NA
+"33520","Citenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cytenamide",NA,"C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)C(=O)N","HXQAPLNYYFQSFU-UHFFFAOYSA-N",25255,NA,"PDBC33520","337777","Present",NA,NA
+"33521","Citratohydratogallium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Citratohydratogallium(III)",NA,NA,NA,NA,NA,"PDBC33521","632818","Present",NA,NA
+"33522","Citreopyrone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Citreopyrone B",NA,"CC1=C(OC(=O)C=C1OC)C=CC=O","AIRRMJKMFDZHMS-ONEGZZNKSA-N",5387141,NA,"PDBC33522","621097","Present",NA,NA
+"33523","Citreoviridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Citreoviridin",NA,"CC1C(C(C(O1)(C)C=C(C)C=CC=CC=CC2=C(C(=CC(=O)O2)OC)C)O)(C)O","JLSVDPQAIKFBTO-QQMWJGNCSA-N",5458344,NA,"PDBC33523","159630","Present",NA,NA
+"33524","Citrinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"citrinin",NA,"CC1C(OC=C2C1=C(C(=C(C2=O)C(=O)O)O)C)C","CBGDIJWINPWWJW-IYSWYEEDSA-N",54680783,NA,"PDBC33524","186","Present",NA,NA
+"33525","ClC1=CC=C(C=C1)C1=CC(=C(N1)C(=O)OCC)C=1C=NC=CC=1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 5-(4-chlorophenyl)-3-(pyridin-3-yl)-1H-pyrrole-2-c...",NA,"CCOC(=O)C1=C(C=C(N1)C2=CC=C(C=C2)Cl)C3=CN=CC=C3","SWQCAHOXTIWWTN-UHFFFAOYSA-N",126601193,NA,"PDBC33525","789852","Present",NA,NA
+"33526","ClC1=CC=C(C=C1)S(=O)(=O)NC1=C(C(=CC(=C1)\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC)OC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-chloro-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)...",NA,"COC1=CC(=CC(=C1OC)NS(=O)(=O)C2=CC=C(C=C2)Cl)C=CC3=CC(=C(C(=C3)OC)OC)OC","WEKXBYKWEYBEQO-SREVYHEPSA-N",132113966,NA,"PDBC33526","775011","Present",NA,NA
+"33527","ClC1=CC=C(C=C1)S(=O)(=O)NC1=C(C(=CC=C1\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC)O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-chloro-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxys...",NA,"COC1=C(C(=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NS(=O)(=O)C3=CC=C(C=C3)Cl)O","XGFNIUPKCBCKSP-WAYWQWQTSA-N",121315022,NA,"PDBC33527","775015","Present",NA,NA
+"33528","ClC=1C(=C(NC2=NC=NC3=CC(=C(C=C23)NC(\C=C\CN(C)C)=O)OCCOC(F)F)C=CC=1)F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-[4-(3-chloro-2-fluoro-anilino)-7-[2-(difluorometho...",NA,"CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OCCOC(F)F","RPPREQFUNVYPGV-QPJJXVBHSA-N",130205628,NA,"PDBC33528","785966","Present",NA,NA
+"33529","ClC=1C=C(C=CC=1)S(=O)(=O)NC1=C(C(=CC(=C1)\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC)OC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-chloro-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)...",NA,"COC1=CC(=CC(=C1OC)NS(=O)(=O)C2=CC(=CC=C2)Cl)C=CC3=CC(=C(C(=C3)OC)OC)OC","YPAYSLGFXJEHDM-KTKRTIGZSA-N",132114389,NA,"PDBC33529","780185","Present",NA,NA
+"33530","Cladosporol B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alternol",NA,"C1CC(=O)C2=C(C1C3=C4C(=O)C5C(O5)C(=O)C4=C(C=C3)O)C=CC=C2O","MQBNXACTQPQCQX-JMBWCGFRSA-N",11233399,NA,"PDBC33530","783200","Present",NA,NA
+"33531","Claenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Claenone",NA,"CC1=CCCC2(C(O2)CC3(CC(=O)C(=C(C)C)C3CC1)C)C","WIQJIYQQVYRKPQ-KAGDPKRISA-N",5459116,NA,"PDBC33531","624589","Present",NA,NA
+"33532","Clanfenur",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clanfenur (INN)",NA,"CN(C)C1=C(C(=CC=C1)F)C(=O)NC(=O)NC2=CC=C(C=C2)Cl","SRLPZQAEBMZCIJ-UHFFFAOYSA-N",68684,NA,"PDBC33532","603108","Present",NA,NA
+"33533","Clausenamine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clausenamine A",NA,"CC1=CC2=C(C(=C1C3=C(C4=C(C=C3C)C5=C(N4)C(=CC(=C5)OC)OC)O)O)NC6=C2C=C(C=C6OC)OC","WJTUKKSXDIWQAM-UHFFFAOYSA-N",6712794,NA,"PDBC33533","713164","Present",NA,NA
+"33534","Clefma",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4[3,5-Bis(2-chlorobenzylidene)-4-oxo-piperdin-1-yl-4-oxo...",NA,"C1C(=CC2=CC=CC=C2Cl)C(=O)C(=CC3=CC=CC=C3Cl)CN1C(=O)C=CC(=O)O","ABOUDPJRQGWQNW-GGDLZHBGSA-N",46927962,NA,"PDBC33534","756046","Present",NA,NA
+"33535","Clemastine fumarate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clemastine (usan)",NA,"CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C.C(=CC(=O)O)C(=O)O","PMGQWSIVQFOFOQ-YKVZVUFRSA-N",5281069,NA,"PDBC33535","756685","Present",NA,NA
+"33536","Cleromyrine I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cleromyrine I",NA,"CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N2CCCC2C(=O)N1)C)CC3=CC=CC=C3)C(C)C","PAPASISLWQPNNI-UHFFFAOYSA-N",362348,NA,"PDBC33536","626092","Present",NA,NA
+"33537","Clitoriacetal 11-O-beta-D-glucopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clitoriacetal 11-O-.beta.-D-glucopyranoside",NA,"COC1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4(C(O2)C(OC5=CC(=C(C=C54)OC)OC)O)O","ZPWZKJPCEQUSQD-FTPMTKDLSA-N",396726,NA,"PDBC33537","703353","Present",NA,NA
+"33538","Clomesone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CLOMESONE",NA,"CS(=O)(=O)CS(=O)(=O)OCCCl","SEHSPJCWCBQHPF-UHFFFAOYSA-N",100651,NA,"PDBC33538","338947","Present",NA,NA
+"33539","Clomifene citrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC35770///NSC756698",NA,"CCN(CC)CCOC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)Cl)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","PYTMYKVIJXPNBD-OQKDUQJOSA-N",3033832,NA,"PDBC33539","35770///756698","Present",NA,NA
+"33540","Clomipramine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Anafranil",NA,"CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl.Cl","WIMWMKZEIBHDTH-UHFFFAOYSA-N",68539,NA,"PDBC33540","759323","Present",NA,NA
+"33541","Clonixin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deltar",NA,"CC1=C(C=CC=C1Cl)NC2=C(C=CC=N2)C(=O)O","CLOMYZFHNHFSIQ-UHFFFAOYSA-N",28718,NA,"PDBC33541","335505","Present",NA,NA
+"33542","Clonostachydiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clonostachydiol",NA,"CC1CCC(C=CC(=O)OC(C(C=CC(=O)O1)O)C)O","SSVNIYICRYPPEB-KQQUZDAGSA-N",5468288,NA,"PDBC33542","667656","Present",NA,NA
+"33543","Clopimozide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clopimozide(usan)",NA,"C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F","JCZYXTVBWHAWLL-UHFFFAOYSA-N",65449,NA,"PDBC33543","335305","Present",NA,NA
+"33544","Closantel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC335306///NSC759819",NA,"CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)Cl)C(C#N)C3=CC=C(C=C3)Cl","JMPFSEBWVLAJKM-UHFFFAOYSA-N",42574,NA,"PDBC33544","335306///759819","Present",NA,NA
+"33545","Clospirazine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiclomazine",NA,"C1CN(CCC12NC(=O)CS2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl.Cl","JRSBQVOEILNXGS-UHFFFAOYSA-N",122820,NA,"PDBC33545","290956","Present",NA,NA
+"33546","Cloth Red 2R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"c.i. 27190",NA,"C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3O)S(=O)(=O)O)S(=O)(=O)O","QHXMGBJYVJFXEU-UHFFFAOYSA-N",80368,NA,"PDBC33546","58049","Present",NA,NA
+"33547","Cloth Scarlet R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cloth scarlet r",NA,"CC1=C(C=CC(=C1)N=NC2=C(C=C(C=C2)S(=O)(=O)O)C)N=NC3=C(C=CC4=CC=CC=C43)O.[Na+]","DMFNHGZZDBFTOC-UHFFFAOYSA-N",135422261,NA,"PDBC33547","66221","Present",NA,NA
+"33548","Clovane,9alpha-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clovane, 2.beta.,9.alpha.-diol",NA,"CC1(C(CC23C1C(CC(C2)(CCC3)C)O)O)C","XUAASKRYNOBPBG-UIWQZIKGSA-N",382543,NA,"PDBC33548","670153","Present",NA,NA
+"33549","Clovenic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Clovenic acid",NA,"CC12CCCC(C1)(C(CC2)C(C)(C)C(=O)O)C(=O)O","BFBKEWXZMZQHBN-ISAOAKOHSA-N",382548,NA,"PDBC33549","670158","Present",NA,NA
+"33550","Cme-carbodiimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHM (VAN)",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCOCC1)CCN=C=NC2CCCCC2","GBCAVSYHPPARHX-UHFFFAOYSA-M",17220,NA,"PDBC33550","231596","Present",NA,NA
+"33551","Coaracine (racemic)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC323229///NSC323230",NA,"C1CN(C(=O)NCC1O)C2C(C(C(O2)CO)O)O","QHDXLNWQRHMXSE-UHFFFAOYSA-N",331290,NA,"PDBC33551","323229///323230","Present",NA,NA
+"33552","Cobalt(2+);2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cobalt(2+);2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Co+2]","PFEVDZPNJOJMSN-CNHJQGRJSA-L",9569779,NA,"PDBC33552","617585","Present",NA,NA
+"33553","Cobalt(2+);2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cobalt(2+);2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Co+2]","MXAPWQBGUKNBCH-CNHJQGRJSA-L",9569772,NA,"PDBC33553","617577","Present",NA,NA
+"33554","Cobalt(2+);2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cobalt(2+);2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate",NA,NA,NA,NA,NA,"PDBC33554","626854","Present",NA,NA
+"33555","Cobalt(3+);ethane-1,2-diamine;diformate;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-bis(ethylendiamine)diformiatocobalt(III)perchlorate",NA,"C(CN)N.C(CN)N.C(=O)[O-].C(=O)[O-].[O-]Cl(=O)(=O)=O.[Co+3]","TWUQTQYBDQFOMT-UHFFFAOYSA-K",24202139,NA,"PDBC33555","630628","Present",NA,NA
+"33556","Cobalt, bis[3-azabicyclo[3.2.2]nonane-3-carbothioic acid...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cobalt, bis[3-azabicyclo[3.2.2]nonane-3-carbothioic acid...",NA,NA,NA,NA,NA,"PDBC33556","382337","Present",NA,NA
+"33557","Cobaltous cyclopentanecarboxylic acid hexafluorophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cobaltous cyclopentanecarboxylic acid hexafluorophosphate",NA,NA,NA,NA,NA,"PDBC33557","608978","Present",NA,NA
+"33558","Cobimetinib (R-enantiomer)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768069",NA,"C1CCNC(C1)C2(CN(C2)C(=O)C3=C(C(=C(C=C3)F)F)NC4=C(C=C(C=C4)I)F)O","BSMCAPRUBJMWDF-QGZVFWFLSA-N",16222097,NA,"PDBC33558","768069","Present",NA,NA
+"33559","Coc1=C(C=C(C=C1OC)\C=C/C1=CC(=C(C(=C1)OC)OC)OC)NS(=O)(=O)C1=CC(=C(C=C1)OC)OC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenyl)-3...",NA,"COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC","DRSCWRFBPYSRKG-HJWRWDBZSA-N",121304378,NA,"PDBC33559","780186","Present",NA,NA
+"33560","Coc1=C(C=C(C=C1OC)\C=C/C1=CC(=C(C(=C1)OC)OC)OC)NS(=O)(=O)C1=CC=C(C=C1)OC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(2,3-dimethoxy-5-(3,4,5-trimethoxystyryl)phenyl)-4...",NA,"COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=CC(=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC","SPTMNTPNCDTSAW-FPLPWBNLSA-N",121304384,NA,"PDBC33560","775010","Present",NA,NA
+"33561","Coc1=C(OC)C(OC)=CC(C2C3=CC=4ococ=4C=C3N(cco)C3=C2C(OC3)=O)=C1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Hydroxyethyl)-8-(3,4,5-trimethoxyphenyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=CC4=C(C=C3N(C5=C2C(=O)OC5)CCO)OCO4","LRYQORFWXVCXMN-UHFFFAOYSA-N",15516367,NA,"PDBC33561","750210","Present",NA,NA
+"33562","Coc1=CC2=C(NC(=N2)C2=CC(=NN2)C2=CC(=C(C(=C2)OC)OC)OC)C=C1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-methoxy-2-(3-(3,4,5-trimethoxyphenyl)-1H-pyrazol-5-yl)...",NA,"COC1=CC2=C(C=C1)N=C(N2)C3=CC(=NN3)C4=CC(=C(C(=C4)OC)OC)OC","HBYXCWCMMBVTOH-UHFFFAOYSA-N",136663904,NA,"PDBC33562","768412","Present",NA,NA
+"33563","Coc1=CC=C(C=C1)S(=O)(=O)NC1=C(C=CC(=C1)\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-methoxy-N-(2-methoxy-5-(3,4,5-trimethoxystyryl)phe...",NA,"COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC","ULDCRGDESYCVLB-SREVYHEPSA-N",121304389,NA,"PDBC33563","774998","Present",NA,NA
+"33564","Coc=1C=C2C=C(C(NC2=CC=1)=O)\C=C\C(=O)C1=C(C=CC=C1)OC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-6 Methoxy-3-(3-(2-Methoxyphenyl)-3-oxoprop-1-enyl)qu...",NA,"COC1=CC2=C(C=C1)NC(=O)C(=C2)C=CC(=O)C3=CC=CC=C3OC","LAYYSAODOKVYEU-JXMROGBWSA-N",135339964,NA,"PDBC33564","793099","Present",NA,NA
+"33565","Cocculus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cocculus",NA,"CC(=C)C1C2C3C4(C(C1C(=O)O2)(CC5C4(O5)C(=O)O3)O)C.CC12C3C4C(C(C1(CC5C2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O","VJKUPQSHOVKBCO-RYVYVXLVSA-N",5458938,NA,"PDBC33565","403139","Present",NA,NA
+"33566","Cochineal Red A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"coccine",NA,"C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","JAOZKJMVYIWLKU-UHFFFAOYSA-N",135436498,NA,"PDBC33566","4301","Present",NA,NA
+"33567","Cochliobolin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ophiobolin",NA,"CC1CC(OC12CCC3(C2CC=C(C4C(C3)C(CC4=O)(C)O)C=O)C)C=C(C)C","MWYYLZRWWNBROW-FMQZQXMHSA-N",5352017,NA,"PDBC33567","114340","Present",NA,NA
+"33568","Coenzyme A, tetrasodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coenzyme A, S-(3-methylene-1-oxododecyl)-, tetrasodium salt",NA,"CCCCCCCCCC(=C)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O.[Na+]","PHDJQBRZHOPJDD-UHFFFAOYSA-N",54608730,NA,"PDBC33568","630995","Present",NA,NA
+"33569","Coenzyme Q10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coenzyme Q10",NA,"CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C","ACTIUHUUMQJHFO-UPTCCGCDSA-N",5281915,NA,"PDBC33569","140865","Present",NA,NA
+"33570","Coformycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coformycin",NA,"C1C(C2=C(NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)O","YOOVTUPUBVHMPG-JOAPDPHISA-N",44326589,NA,"PDBC33570","277817","Present",NA,NA
+"33571","Colchiceinamid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colchicamid",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N)OC)OC)OC","JWDFWIZNGSOUGC-INIZCTEOSA-N",18397,NA,"PDBC33571","403144","Present",NA,NA
+"33572","Colchiceine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-acetyl trimethylcolchicinic acid///colchiceine",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)O)OC)OC)OC","PRGILOMAMBLWNG-HNNXBMFYSA-N",234105,NA,"PDBC33572","123396///33411","Present",NA,NA
+"33573","Colchicide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"colchicide.hcl",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=CC(=O)C=C13)OC)OC)OC","NXPCQFIROMOQEV-UHFFFAOYSA-N",120712,NA,"PDBC33573","352277","Present",NA,NA
+"33574","Colchicine analog",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642309",NA,"CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC(=C(C(=C4)O)O)O","YYOVLMOKLNEIBB-UHFFFAOYSA-N",369942,NA,"PDBC33574","642309","Present",NA,NA
+"33575","Colchicine deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC320301",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C(F)(F)F)OC)OC","LNELBQZKXVASLW-AWEZNQCLSA-N",330851,NA,"PDBC33575","320301","Present",NA,NA
+"33576","Colchicine, 10-demethoxy-10-(diethylamino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[a]heptalen-9(5H)-one, 7-acetamido-10-(diethylamino...",NA,"CCN(CC)C1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C","VBJDWXFOMWSFLB-IBGZPJMESA-N",23398,NA,"PDBC33576","33690","Present",NA,NA
+"33577","Colchicine, 17-chloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chlorocolchicine",NA,"COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)CCl","XBFWCWRZDWNRIE-HNNXBMFYSA-N",33463,NA,"PDBC33577","164850","Present",NA,NA
+"33578","Colchinol, N-acetyliodo-O-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"colchinol, n-acetyliodo-o-methyl-",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC(=C(C=C13)OC)I)OC)OC)OC","DNAHKKQXPQIYHR-INIZCTEOSA-N",234104,NA,"PDBC33578","33409","Present",NA,NA
+"33579","Coleon U",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coleon U",NA,"CC(C)C1=C(C2=C(C(=C1O)O)C3(CCCC(C3=C(C2=O)O)(C)C)C)O","XPYRMWZAUHBOPE-HXUWFJFHSA-N",333723,NA,"PDBC33579","337582","Present",NA,NA
+"33580","Coleonol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coleonol",NA,"CC(=O)OC1C(C2C(CCC(C2(C3(C1(OC(CC3=O)(C)C=C)C)O)C)O)(C)C)O","OHCQJHSOBUTRHG-WWVGWVLGSA-N",337799,NA,"PDBC33580","357088","Present",NA,NA
+"33581","Colladonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Colladonin",NA,"CC1(C2CCC(=C)C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)C","FCWYNTDTQPCVPG-SMVUYSJCSA-N",375430,NA,"PDBC33581","655152","Present",NA,NA
+"33582","Collatolic acid-A''",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Collatolic acid-A''",NA,"CCCCCC(=O)CC1=C2C(=CC(=C1)OC)OC3=C(C=C(C(=C3CC(=O)CCCCC)C(=O)O)O)OC2=O","QLTNFHFQLMFRBN-UHFFFAOYSA-N",10650,NA,"PDBC33582","646010","Present",NA,NA
+"33583","Collinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COLLININ",NA,"CC(=CCCC(=CCOC1=C(C2=C(C=C1)C=CC(=O)O2)OC)C)C","MJWGWXGEAHRWOV-NTCAYCPXSA-N",5316012,NA,"PDBC33583","31870","Present",NA,NA
+"33584","Combretastatin A-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"b8173373k297",NA,"COC1=C(C(=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)O)O","YUSYSJSHVJULID-WAYWQWQTSA-N",5458993,NA,"PDBC33584","600032","Present",NA,NA
+"33585","Combretastatin A-4, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Combretastatin A-4, sodium salt",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)O.[Na+]","ANOZOMHKUHDDDT-YSMBQZINSA-N",54608929,NA,"PDBC33585","639694","Present",NA,NA
+"33586","Combretastatin A4-analogue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Combretastatin A4-analogue",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)OC2)C3=CC(=C(C(=C3)OC)OC)OC)OC","XPOAHAZAFIXEFR-UHFFFAOYSA-N",11069089,NA,"PDBC33586","726217","Present",NA,NA
+"33587","Combretastatin D-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"combretum caffrum",NA,"C1CC(=O)OCC2C(O2)C3=CC=C(C=C3)OC4=C(C=CC1=C4)O","COGWIGJGNQCZPK-AEFFLSMTSA-N",353314,NA,"PDBC33587","601289","Present",NA,NA
+"33588","Compactin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"compactin",NA,"CCC(C)C(=O)OC1CCC=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O","AJLFOPYRIVGYMJ-UHFFFAOYSA-N",2854,NA,"PDBC33588","281245","Present",NA,NA
+"33589","Compound A from Parsonsia straminea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Compound A from Parsonsia straminea",NA,NA,NA,NA,NA,"PDBC33589","142205","Present",NA,NA
+"33590","Compound B from Parsonsia straminea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Compound B from Parsonsia straminea",NA,NA,NA,NA,NA,"PDBC33590","142206","Present",NA,NA
+"33591","Compound E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Compound E",NA,"CC(C(=O)NC1(C(=O)N(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C)C)NC(=O)CC4=CC(=CC(=C4)F)F","HMOIRTNDKBGZAW-JYRCXFKTSA-N",24202948,NA,"PDBC33591","726333","Present",NA,NA
+"33592","Compound E from Chinese domestic plant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Compound E from Chinese domestic plant",NA,NA,NA,NA,NA,"PDBC33592","642511","Present",NA,NA
+"33593","Concanamycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Concanamycin A",NA,"CCC1C(C(CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C=CC)C)OC3CC(C(C(O3)C)OC(=O)N)O)O)O)OC)C)C)O","DJZCTUVALDDONK-WKSOANRISA-N",5468688,NA,"PDBC33593","674620","Present",NA,NA
+"33594","Concanamycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Concanamycin B",NA,"CC=CC1C(C(CC(O1)(C(C)C(C(C)C2C(C=CC=C(CC(C(C(C(C(C=C(C=C(C(=O)O2)OC)C)C)O)C)O)C)C)OC)O)O)OC3CC(C(C(O3)C)OC(=O)N)O)C","AQXXGIBOZQZSAT-PJGWWKFTSA-N",5468506,NA,"PDBC33594","670977","Present",NA,NA
+"33595","Concanamycin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Concanamycin C",NA,"CCC1C(C(CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C=CC)C)OC3CC(C(C(O3)C)O)O)O)O)OC)C)C)O","XKYYLWWOGLVPOR-SVJPWFAWSA-N",24202503,NA,"PDBC33595","674621","Present",NA,NA
+"33596","Confertifoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CONFERTIFOLINE",NA,"CC1(CCCC2(C1CCC3=C2COC3=O)C)C","ZERYGJQXPPRRCW-UHFFFAOYSA-N",435751,NA,"PDBC33596","375294","Present",NA,NA
+"33597","Congocidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"netropsin",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CN=C(N)N.Cl","FSOYOTWCAMRRGU-UHFFFAOYSA-N",5351456,NA,"PDBC33597","3067","Present",NA,NA
+"33598","Conocarpin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Conocarpin///Leucodrin",NA,"C1C(C2(C(C(OC2=O)C(CO)O)O)OC1=O)C3=CC=C(C=C3)O","JVCLQSJXGOABTC-UHFFFAOYSA-N",270432,NA,"PDBC33598","106976///112845","Present",NA,NA
+"33599","Contignasterol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Contignasterol",NA,"CC(C)C1CC(OC(C1)O)C(C)C2CC(=O)C3C2(CCC4C3C(C(C5C4(CCC(C5O)O)C)O)O)C","IRHVLQMEQPABHG-YVDIUZAXSA-N",374202,NA,"PDBC33599","651688","Present",NA,NA
+"33600","Control 1: 30 ml of untreated RPMI-1640 medium + 5% feta...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Control 1: 30 ml of untreated RPMI-1640 medium + 5% feta...",NA,NA,NA,NA,NA,"PDBC33600","734176","Present",NA,NA
+"33601","Control 2: 30 ml of RPMI-1640 medium = 5% fetal bovine s...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Control 2: 30 ml of RPMI-1640 medium = 5% fetal bovine s...",NA,NA,NA,NA,NA,"PDBC33601","734177","Present",NA,NA
+"33602","Conyzenol-19-succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Conyzenol-19-succinate",NA,"CC1(CCCC2(C1CCC(=C)C2CCC3=CC(=O)OC3)C)COC(=O)CCC(=O)O","POSXURGFKVMSQT-VSQYNUGQSA-N",391020,NA,"PDBC33602","689440","Present",NA,NA
+"33603","Copanlisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760443///NSC800076///NSC809693///Copanlisib tris-HCl",NA,"COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN5CCOCC5","MWYDSXOGIBMAET-UHFFFAOYSA-N",135565596,NA,"PDBC33603","760443///800076///809693///816437","Present",NA,NA
+"33604","Copper phthalocyanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"copper polyphthalocyanine",NA,"C1=CC=C2C(=C1)C3=NC4=NC(=NC5=NC(=NC6=NC(=NC2=N3)C7=CC=CC=C76)C8=CC=CC=C85)C9=CC=CC=C94.[Cu]","VVOLVFOSOPJKED-UHFFFAOYSA-N",475701,NA,"PDBC33604","43628","Present",NA,NA
+"33605","Copper sodium ethylenediaminetetraacetate (1:2:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"disodium cupric edta",NA,"C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Na+].[Cu+2]","YZIVQZRVXMXRJY-UHFFFAOYSA-N",5351624,NA,"PDBC33605","7346","Present",NA,NA
+"33606","Copper(2+),2-ethanediamine-N,N')-, (SP-4-1)-, dinitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper(2+), bis(1,2-ethanediamine-N,N')-, (SP-4-1)-, din...",NA,"C(C[NH-])[NH-].C(C[NH-])[NH-].[N+](=O)(O)[O-].[Cu+2]","JYBQUUROONSXOL-UHFFFAOYSA-N",54599332,NA,"PDBC33606","167592","Present",NA,NA
+"33607","Copper(II) complex with a thiosemicarbazone as a ligand",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper(II) complex with a thiosemicarbazone as a ligand",NA,NA,NA,NA,NA,"PDBC33607","762008","Present",NA,NA
+"33608","Copper(II) complex with quin as a ligand",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper(II) complex with quin as a ligand",NA,NA,NA,NA,NA,"PDBC33608","762009","Present",NA,NA
+"33609","Copper(II) ocetanedioate 1,10-phenanthroline perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper(II) ocetanedioate 1,10-phenanthroline perchlorate",NA,NA,NA,NA,NA,"PDBC33609","767442","Present",NA,NA
+"33610","Copper(II) phthalate 1,10-phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper(II) phthalate 1,10-phenanthroline",NA,NA,NA,NA,NA,"PDBC33610","767443","Present",NA,NA
+"33611","Copper(II) terephthalate 1,10-phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper(II) terephthalate 1,10-phenanthroline",NA,NA,NA,NA,NA,"PDBC33611","767441","Present",NA,NA
+"33612","Copper, [3-azabicyclo(3.2.2)nonan-3-ylcarbothioic acid[1...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper, [3-azabicyclo(3.2.2)nonan-3-ylcarbothioic acid[1...",NA,NA,NA,NA,NA,"PDBC33612","633275","Present",NA,NA
+"33613","Copper, aqua[2-[(2-hydroxy-3-methoxyphenyl)methylene]- h...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper, aqua[2-[(2-hydroxy-3-methoxyphenyl)methylene]- h...",NA,NA,NA,NA,NA,"PDBC33613","638304","Present",NA,NA
+"33614","Copper, bromo[2-[1-(2-pyridinyl)ethylidene][N,N-dimethyl...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper, bromo[2-[1-(2-pyridinyl)ethylidene][N,N-dimethyl...",NA,NA,NA,NA,NA,"PDBC33614","635448","Present",NA,NA
+"33615","Copper, chloro[2-[1-(2-pyridinyl)ethylidene][N,N-dipropy...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper, chloro[2-[1-(2-pyridinyl)ethylidene][N,N-dipropy...",NA,NA,NA,NA,NA,"PDBC33615","635449","Present",NA,NA
+"33616","Copper, chloro[hexahydro-1H-azepine-1-carbothioic acid [...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper, chloro[hexahydro-1H-azepine-1-carbothioic acid [...",NA,NA,NA,NA,NA,"PDBC33616","324979","Present",NA,NA
+"33617","Copper, di.mu.-chloribis[1-[(1-piperdinyl-.kappa.N)methy...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper, di.mu.-chloribis[1-[(1-piperdinyl-.kappa.N)methy...",NA,NA,NA,NA,NA,"PDBC33617","109268","Present",NA,NA
+"33618","Copper;(3E)-3-oxidoimino-1H-indol-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC7711",NA,"C1=CC=C2C(=C1)C(=N[O-])C(=O)N2.C1=CC=C2C(=C1)C(=N[O-])C(=O)N2.[Cu+2]","XHTRKJYPZVRTGE-UHFFFAOYSA-L",135436508,NA,"PDBC33618","7711","Present",NA,NA
+"33619","Copper;(NE,3Z)-N-(1-pyridazin-3-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;(NE,3Z)-N-(1-pyridazin-3-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,"PDBC33619","633269","Present",NA,NA
+"33620","Copper;(NE,3Z)-N-(pyridazin-3-ylmethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;(NE,3Z)-N-(pyridazin-3-ylmethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,"PDBC33620","633277","Present",NA,NA
+"33621","Copper;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,"PDBC33621","633271","Present",NA,NA
+"33622","Copper;1,2-dicarboxyethylazanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;1,2-dicarboxyethylazanide",NA,"C(C(C(=O)O)[NH-])C(=O)O.C(C(C(=O)O)[NH-])C(=O)O.[Cu+2]","FFPCGFWGVZRUBE-UHFFFAOYSA-N",419807,NA,"PDBC33622","118516","Present",NA,NA
+"33623","Copper;1-(1-methylimidazol-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine;acetate;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;1-(1-methylimidazol-2-yl)-N-[(1-methylimidazol-2-yl)methyl]methanamine;acetate;perchlorate",NA,"CC(=O)[O-].CN1C=CN=C1CNCC2=NC=CN2C.[O-]Cl(=O)(=O)=O.[Cu+2]","PRVIXYMUDAIKIE-UHFFFAOYSA-L",24202012,NA,"PDBC33623","618144","Present",NA,NA
+"33624","Copper;1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea;pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;1-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-3-phenylthiourea;pyridine",NA,NA,NA,NA,NA,"PDBC33624","638288","Present",NA,NA
+"33625","Copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol;nitrate",NA,"CC(CN(CCN(CC(C)O)CC(C)O)CC(C)O)O.[N+](=O)(O)[O-].[Cu+2]","RGVZEYYKWQTKAH-UHFFFAOYSA-N",54609905,NA,"PDBC33625","103019","Present",NA,NA
+"33626","Copper;1-phenyldiazenylnaphthalen-2-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;1-phenyldiazenylnaphthalen-2-olate",NA,"C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].[Cu+2]","GJSMBCHUOCBORJ-UHFFFAOYSA-L",345277,NA,"PDBC33626","402783","Present",NA,NA
+"33627","Copper;2,2,8,8-tetrachloro-1,3,7,9-tetrazanida-2,8-distannacyclododecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;2,2,8,8-tetrachloro-1,3,7,9-tetrazanida-2,8-distannacyclododecane",NA,"C1C[N-][Sn]([N-]CCC[N-][Sn]([N-]C1)(Cl)Cl)(Cl)Cl.[Cu+2]","HDLLUNQYXVOPTO-UHFFFAOYSA-J",16721153,NA,"PDBC33627","659411","Present",NA,NA
+"33628","Copper;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Cu+2]","UQKNQZDRXBFIPR-CNHJQGRJSA-L",9569781,NA,"PDBC33628","617587","Present",NA,NA
+"33629","Copper;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Cu+2]","YVROQYVQEJQOGT-CNHJQGRJSA-L",9569774,NA,"PDBC33629","617579","Present",NA,NA
+"33630","Copper;2-(2-aminoanilino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;2-(2-aminoanilino)benzoate",NA,"C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.[Cu+2]","CBLSYUMBXRIUEK-UHFFFAOYSA-L",24202384,NA,"PDBC33630","646284","Present",NA,NA
+"33631","Copper;2-[(E)-carbamoylazanidyliminomethyl]-6-methoxyphenolate;pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638286",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC=NC=C1.[Cu+2]","OARRWORNPGRVAM-UHFFFAOYSA-L",9570065,NA,"PDBC33631","638286","Present",NA,NA
+"33632","Copper;2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate",NA,NA,NA,NA,NA,"PDBC33632","626852","Present",NA,NA
+"33633","Copper;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;2-[[2-[(2-hydroxyphenyl)methylideneamino]phenyl]iminomethyl]phenol",NA,"C1=CC=C(C(=C1)C=NC2=CC=CC=C2N=CC3=CC=CC=C3O)O.[Cu+2]","WXYRIKOCWQEJNI-UHFFFAOYSA-N",135422124,NA,"PDBC33633","51728","Present",NA,NA
+"33634","Copper;2-formyl-6-methoxyphenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638272",NA,"COC1=CC=CC(=C1[O-])C=O.COC1=CC=CC(=C1[O-])C=O.[Cu+2]","YOOGUKUCZPSYJO-UHFFFAOYSA-L",368019,NA,"PDBC33634","638272","Present",NA,NA
+"33635","Copper;2-methoxy-6-[(4-methylpyridin-2-yl)iminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;2-methoxy-6-[(4-methylpyridin-2-yl)iminomethyl]phenol",NA,"CC1=CC(=NC=C1)N=CC2=C(C(=CC=C2)OC)O.CC1=CC(=NC=C1)N=CC2=C(C(=CC=C2)OC)O.[Cu]","YYCLTEVUTGKPJD-UHFFFAOYSA-N",435019,NA,"PDBC33635","363002","Present",NA,NA
+"33636","Copper;3,3-dichloro-6,28-dioxa-2,4-diaza-15,19-diazanida-3-stannapentacyclo[18.8.0.05,14.07,12.022,27]octacosa-1(20),5(14),7,9,11,22,24,26-octaene-13,21-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;3,3-dichloro-6,28-dioxa-2,4-diaza-15,19-diazanida-3-stannapentacyclo[18.8.0.05,14.07,12.022,27]octacosa-1(20),5(14),7,9,11,22,24,26-octaene-13,21-dione",NA,"C1C[N-]C2=C(N[Sn](NC3=C(C(=O)C4=CC=CC=C4O3)[N-]C1)(Cl)Cl)OC5=CC=CC=C5C2=O.[Cu+2]","NMIVTJJBNNXPLB-UHFFFAOYSA-J",9605160,NA,"PDBC33636","659412","Present",NA,NA
+"33637","Copper;3-(2,2-dichloro-10-methyl-7,11-diaza-1,3-diazanida-2-stannacyclotetradeca-7,10-dien-8-yl)-7-methylpyrano[3,2-c]pyran-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;3-(2,2-dichloro-10-methyl-7,11-diaza-1,3-diazanida-2-stannacyclotetradeca-7,10-dien-8-yl)-7-methylpyrano[3,2-c]pyran-2,5-dione",NA,"CC1=NCCC[N-][Sn]([N-]CCCN=C(C1)C2=CC3=C(C=C(OC3=O)C)OC2=O)(Cl)Cl.[Cu+2]","PCQFXHVCMGVGLK-UHFFFAOYSA-L",16683584,NA,"PDBC33637","659410","Present",NA,NA
+"33638","Copper;5-(hydroxymethyl)-4-[6-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneamino]hexyliminomethyl]-2-methylpyridin-3-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;5-(hydroxymethyl)-4-[6-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneamino]hexyliminomethyl]-2-methylpyridin-3-olate",NA,"CC1=NC=C(C(=C1[O-])C=NCCCCCCN=CC2=C(C(=NC=C2CO)C)[O-])CO.[Cu+2]","OQEKTMRKGGXGAZ-UHFFFAOYSA-L",360151,NA,"PDBC33638","622085","Present",NA,NA
+"33639","Copper;bis[(1-methylimidazol-2-yl)methyl]azanide;dinitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;bis[(1-methylimidazol-2-yl)methyl]azanide;dinitrate",NA,"CN1C=CN=C1C[N-]CC2=NC=CN2C.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Cu+2]","KRAWUOODCSIUDA-UHFFFAOYSA-N",358228,NA,"PDBC33639","618145","Present",NA,NA
+"33640","Copper;oxidanium;2-[(E)-carbamoylazanidyliminomethyl]-6-methoxyphenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638266",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.[OH3+].[Cu+2]","WBOMQTHIPHJITH-UHFFFAOYSA-M",24202302,NA,"PDBC33640","638266","Present",NA,NA
+"33641","Copper;perchloric acid;N-phenyl-1-piperidin-1-id-2-ylmethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Copper;perchloric acid;N-phenyl-1-piperidin-1-id-2-ylmethanimine",NA,"C1CC[N-]C(C1)C=NC2=CC=CC=C2.C1CC[N-]C(C1)C=NC2=CC=CC=C2.OCl(=O)(=O)=O.[Cu+2]","CHQOZGLKBVJDPE-UHFFFAOYSA-N",54604587,NA,"PDBC33641","311658","Present",NA,NA
+"33642","Coptisine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coptisine chloride",NA,"C1C[N+]2=C(C=C3C=CC4=C(C3=C2)OCO4)C5=CC6=C(C=C51)OCO6.[Cl-]","LUXPUVKJHVUJAV-UHFFFAOYSA-M",72321,NA,"PDBC33642","119754","Present",NA,NA
+"33643","Cordifene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cordifene",NA,"CC=C(C)C(=O)OC1CC2(C(O2)C3C(O3)C(=C)C(C4C1C(=C)C(=O)O4)O)C","RKAXEWSQYMGBAP-SOFGYWHQSA-N",5477773,NA,"PDBC33643","354437","Present",NA,NA
+"33644","Cordigone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cordigone",NA,"C1=CC(=CC=C1C2C(C(C(O2)C3=CC=C(C=C3)O)C(=O)C4=C(C=C(C=C4)O)O)C(=O)C5=C(C=C(C=C5)O)O)O","MGYYQYIFNBTUAB-UHFFFAOYSA-N",362039,NA,"PDBC33644","625546","Present",NA,NA
+"33645","Coriphosphine O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"coriphosphine",NA,"CC1=CC2=C(C=C1N)N=C3C=C(C=CC3=C2)N(C)C.Cl","JRMDFAKCPRMZKA-UHFFFAOYSA-N",9860722,NA,"PDBC33645","12454","Present",NA,NA
+"33646","Coronalolide methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C31H44O5",NA,"CC(CCC=C(C)C=O)C1CCC2(C1(CCC34C2CC5C(C3(C4)CCC(=O)OC)C(=C)C(=O)O5)C)C","FPFAZZFTBDKRJL-PXERRMOCSA-N",5468948,NA,"PDBC33646","680073","Present",NA,NA
+"33647","Coronopilin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coronopilin",NA,"CC1CCC2C(C3(C1(CCC3=O)O)C)OC(=O)C2=C","GEUJJEYGSRWXPC-JISBIHODSA-N",257278,NA,"PDBC33647","85242","Present",NA,NA
+"33648","Corrigen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oleandrin",NA,"CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O","JLPDBLFIVFSOCC-UJQZKUKMSA-N",261943,NA,"PDBC33648","692219","Present",NA,NA
+"33649","Cortisol, 21-(hydrogen diglycolate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cortisol, 21-(hydrogen diglycolate)",NA,"CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)COCC(=O)O)O)C)O","UGAMJALKBNFFGU-CGVGKPPMSA-N",227838,NA,"PDBC33649","19966","Present",NA,NA
+"33650","Corycavine oxalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Corycavine oxalate",NA,"CC1C2=C(CN(CCC3=CC4=C(C=C3C1=O)OCO4)C)C5=C(C=C2)OCO5.C(=O)(C(=O)O)O","NRVLAGOGGKQWCH-UHFFFAOYSA-N",54601482,NA,"PDBC33650","109441","Present",NA,NA
+"33651","Corylifolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Corylifolin",NA,"CC(C)(C=C)C=CC1=CC=C(C=C1)O","DKVQOAMBVKKPAM-MDZDMXLPSA-N",5470819,NA,"PDBC33651","705532","Present",NA,NA
+"33652","Corymine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CORYMINE",NA,"CC=C1CN2CCC34C2(C5CC1C3(C(O5)O)C(=O)OC)N(C6=CC=CC=C46)C","KRTMWLRPHKYUJX-PQMHYQBVSA-N",5379626,NA,"PDBC33652","381080","Present",NA,NA
+"33653","Corymine, acetyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CORYMINE, ACETYL",NA,"CC=C1CN2CCC34C2(C5CC1C3(C(O5)OC(=O)C)C(=O)OC)N(C6=CC=CC=C46)C","FCGKYGRIKFLOBO-WCSRMQSCSA-N",5478098,NA,"PDBC33653","381079","Present",NA,NA
+"33654","Coryn-19-en-17-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coryn-19-en-17-ol",NA,"CC=C1CN2CCC3=C(C2CC1CCO)NC4=CC=CC=C34","LGJLRIJXTPDFNB-XNJYKOPJSA-N",5467208,NA,"PDBC33654","648413","Present",NA,NA
+"33655","Cosalane, ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COSALANE, AMMONIUM",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C.N","FDKLYUPKBGZXPL-SGAANVMNSA-N",11969935,NA,"PDBC33655","640067","Present",NA,NA
+"33656","Costatone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Costatone",NA,"CC1=C(CC(OC1(C(Br)Br)O)C(=CCl)C)Cl","CVIPXLIMSIYMFK-BJLGHUSZSA-N",5359027,NA,"PDBC33656","294580","Present",NA,NA
+"33657","Cotylenin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cotylenin A",NA,"CC1C2CCC(C2=CC3(CCC(=C3C(C1O)OC4C(C5C6(C(O4)COC)OC(O5)C(O6)(C)C7CO7)O)C(C)C)C)(COC)O","SMQRKTIIIYTOTN-UDWIEESQSA-N",5477444,NA,"PDBC33657","319518","Present",NA,NA
+"33658","Coulteropine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coulteropine hydrochloride",NA,"C[N+]12CCC3=CC4=C(C(=C3C1(CC5=C(C2)C6=C(C=C5)OCO6)O)OC)OCO4.[Cl-]","KKADMSLKSPLEKC-UHFFFAOYSA-M",24190452,NA,"PDBC33658","108736","Present",NA,NA
+"33659","Coumamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"notomycin",NA,"CC1=CC=C(N1)C(=O)OC2C(C(OC(C2OC)(C)C)OC3=C(C4=C(C=C3)C(=C(C(=O)O4)NC(=O)C5=CNC(=C5C)C(=O)NC6=C(C7=C(C(=C(C=C7)OC8C(C(C(C(O8)(C)C)OC)OC(=O)C9=CC=C(N9)C)O)C)OC6=O)O)O)C)O","WTIJXIZOODAMJT-UHFFFAOYSA-N",54678496,NA,"PDBC33659","107412","Present",NA,NA
+"33660","Coumaphos syn-dimer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumaphos syn-dimer",NA,"CCOP(=S)(OCC)OC1=CC2=C(C=C1)C3(C(C(=O)O2)(C4(C3(C(=O)OC5=C4C=CC(=C5)OP(=S)(OCC)OCC)Cl)C)Cl)C","KPPSNIXPCINDBZ-UHFFFAOYSA-N",365489,NA,"PDBC33660","633122","Present",NA,NA
+"33661","Coumarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin",NA,"C1=CC=C2C(=C1)C=CC(=O)O2","ZYGHJZDHTFUPRJ-UHFFFAOYSA-N",323,NA,"PDBC33661","8774","Present",NA,NA
+"33662","Coumarin 138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin 138",NA,"CN(C)C1=CC2=C(C=C1)C3=C(CCC3)C(=O)O2","RIUSGHALMCFISX-UHFFFAOYSA-N",100527,NA,"PDBC33662","315247","Present",NA,NA
+"33663","Coumarin 30",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin 30",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4N3C","KZFUMWVJJNDGAU-UHFFFAOYSA-N",100335,NA,"PDBC33663","290433","Present",NA,NA
+"33664","Coumarin 307",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin 307",NA,"CCNC1=CC2=C(C=C1C)C(=CC(=O)O2)C(F)(F)F","NRZJOTSUPLCYDJ-UHFFFAOYSA-N",72817,NA,"PDBC33664","338966","Present",NA,NA
+"33665","Coumarin 314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin 314",NA,"CCOC(=O)C1=CC2=CC3=C4C(=C2OC1=O)CCCN4CCC3","VMJKUPWQKZFFCX-UHFFFAOYSA-N",72653,NA,"PDBC33665","338967","Present",NA,NA
+"33666","Coumarin 337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin 337",NA,"C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C#N)CCCN3C1","LGDDFMCJIHJNMK-UHFFFAOYSA-N",72654,NA,"PDBC33666","338968","Present",NA,NA
+"33667","Coumarin 340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin 340",NA,"C1CC2=CC3=C(C=C2NC1)OC(=O)C=C3C(F)(F)F","XJDJBMLMMBPNGL-UHFFFAOYSA-N",100790,NA,"PDBC33667","369289","Present",NA,NA
+"33668","Coumarin 355",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin 355",NA,"CCN1CCCC2=CC3=C(C=C21)OC(=O)C=C3C(F)(F)F","FNGKJWDTEBDTNX-UHFFFAOYSA-N",72818,NA,"PDBC33668","338969","Present",NA,NA
+"33669","Coumarin Derivative of Gichigamin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Coumarin Derivative of Gichigamin A",NA,"CCC(C)(C(=O)NCCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NCCC(=O)NCCOC(=O)NC1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O)NC(=O)C(C)NC(=O)CCNC(=O)C(C)(C)NC(=O)C(C)NC(=O)C3CCCN3C(=O)C(C)(CC)NC(=O)C(CC4=CC=CC=C4)NC(=O)C5CCCN5C(=O)C(C)(C)NC(=O)C6CCCN6C(=O)C(C)(C)NC(=O)C","NNDWHWTXOMOPFE-SQOKJJRSSA-N",155814863,NA,"PDBC33669","783219","Present",NA,NA
+"33670","Coumarin deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COUMARIN DERIV",NA,"CC1=CC(OC1=O)CC(=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C","CFNMUZCFSDMZPQ-KPKJPENVSA-N",5776876,NA,"PDBC33670","356887","Present",NA,NA
+"33671","Coumarin-3-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC14797///NSC53239",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O","ACMLKANOGIVEPB-UHFFFAOYSA-N",10752,NA,"PDBC33671","14797///53239","Present",NA,NA
+"33672","Coumestrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cumostrol",NA,"C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O","ZZIALNLLNHEQPJ-UHFFFAOYSA-N",5281707,NA,"PDBC33672","22842","Present",NA,NA
+"33673","Cowanin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cowanin",NA,"CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)O)OC)C)C","GVDDDYKLKUMEGV-WOJGMQOQSA-N",11754819,NA,"PDBC33673","752810","Present",NA,NA
+"33674","Cowlteropine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cowlteropine",NA,"CN1CCC2=CC3=C(C(=C2C(=O)CC4=C(C1)C5=C(C=C4)OCO5)OC)OCO3","SWBXJEKOHMOEFV-UHFFFAOYSA-N",371260,NA,"PDBC33674","645319","Present",NA,NA
+"33675","Cpd-401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cpd-401",NA,"CN1C2=C(C=C(C=C2)OC3=NC=C(C=C3)N(C)C(=O)C4=CC=C(C=C4)C(F)(F)F)C=C1C(=O)N5CCN(CC5)CC6=CC=C(C=C6)OC(F)F","UBBWYZSITCQSJO-UHFFFAOYSA-N",25256150,NA,"PDBC33675","757334","Present",NA,NA
+"33676","Crassin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crassin",NA,"CC1CC(C=C(CCC=C(CC(C2CC1OC(=O)C2=C)O)C)C)O","GQTPRLWQZDUWKJ-SWZPTJTJSA-N",5357909,NA,"PDBC33676","210236","Present",NA,NA
+"33677","Crassin cinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crassin cinnamate",NA,"CC1=CCCC(C2CC(C(CC(=CCC1)C)OC(=O)C=CC3=CC=CC=C3)C(=C)C(=O)O2)(C)O","OIPLHPLXYLYNND-NVVRCDLOSA-N",5458572,NA,"PDBC33677","286161","Present",NA,NA
+"33678","Crassin ketones",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"crassin ketones",NA,"CC1CCCC(=CCCC(C2CC(C(=C)C(=O)O2)C(=O)C1)(C)O)C","URWWHNWSDGNIPC-RNEMVUGNSA-N",54604606,NA,"PDBC33678","301686","Present",NA,NA
+"33679","Crassin, acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CRASSIN, ACETATE///Crassin acetate",NA,"CC1=CCCC(C2CC(C(CC(=CCC1)C)OC(=O)C)C(=C)C(=O)O2)(C)O","WMGWWFHPPNGBBT-KDEUEPBXSA-N",5355441,NA,"PDBC33679","36437///46728","Present",NA,NA
+"33680","Crc 86-05",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crc 86-05",NA,"CCCCCCCCCCCCCCCCCCOCC1(CCCO1)COP(=O)([O-])OCC[N+](C)(C)C","OEWZGBLJCYAMEG-UHFFFAOYSA-N",130724,NA,"PDBC33680","614383","Present",NA,NA
+"33681","Crenigacestat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-3039478",NA,"CC(C(=O)NC1C2=CC=CC=C2C3=C(N=CC=C3)N(C1=O)CCO)NC(=O)CCC(F)(F)F","YCBAQKQAINQRFW-UGSOOPFHSA-N",71236992,NA,"PDBC33681","787253","Present",NA,NA
+"33682","Crenuladial",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crenuladial",NA,"CC1CC(C(C2=C(C3C1C3)C(OC2O)O)C(C)CCC=C(C)C)OC(=O)C","IJCISQPPHNICOM-WCGOURIUSA-N",365667,NA,"PDBC33682","633521","Present",NA,NA
+"33683","Crinamin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crinamin",NA,"COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O","YGPRSGKVLATIHT-DMNNGBKGSA-N",258957,NA,"PDBC33683","88421","Present",NA,NA
+"33684","Crispatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fulvine",NA,"CC1C(=O)OCC2=CCN3C2C(CC3)OC(=O)C(C1(C)O)C","PSUFRPOAICRSTC-UHFFFAOYSA-N",185881,NA,"PDBC33684","89932","Present",NA,NA
+"33685","Cristatic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cristatic acid",NA,"CC1=CC(=C(C(=C1C(=O)O)O)CC=C(C)CCCC2=COC(=C2)C=C(C)C)O","SHLSLIGKNZUPMK-OVCLIPMQSA-N",5458761,NA,"PDBC33685","338268","Present",NA,NA
+"33686","Crivelline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"criwelline",NA,"CN1CC2(C3(C1CC(C=C3)OC)C4=CC5=C(C=C4CO2)OCO5)O","YLWAQARRNQVEHD-GYIHYUDTSA-N",101760,NA,"PDBC33686","88419","Present",NA,NA
+"33687","Crotepoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crotepoxide",NA,"CC(=O)OC1C2C(O2)C3C(C1OC(=O)C)(O3)COC(=O)C4=CC=CC=C4","ASAWUXMEXFAFMU-DBDULZNHSA-N",161314,NA,"PDBC33687","106396","Present",NA,NA
+"33688","Crotocembraneic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crotocembraneic acid",NA,"CC1=CCCC(=CC=C(CCC(=CCC1)C(=O)O)C(C)C)C","PJVZQWKLUCVIQA-RJVZQQKXSA-N",5471235,NA,"PDBC33688","709859","Present",NA,NA
+"33689","Crotoxin CD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crotoxin CD",NA,NA,NA,NA,NA,"PDBC33689","636009","Present",NA,NA
+"33690","Crovatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crovatin",NA,"CC1CCC23C4C15CC(OC5OC2OC(C3C(=O)OC)CC4)C6=COC=C6","GRJSIUBKDJRQIL-OEGUFJNYSA-N",375033,NA,"PDBC33690","653859","Present",NA,NA
+"33691","Cryptocaryone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4Z)-3a,4-dihydro-4-((E)-1-hydroxy-3-phenylallylidene)be...",NA,"C1C2C(C=CC(=O)C2=C(C=CC3=CC=CC=C3)O)OC1=O","PTLQMLWEJRHXDU-VHIARPGFSA-N",10379026,NA,"PDBC33691","752463","Present",NA,NA
+"33692","Cryptofolione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cryptofolione",NA,"C1C=CC(=O)OC1C=CCC(CC(C=CC2=CC=CC=C2)O)O","JSKFCRSAYKODTM-RKYSLMRCSA-N",5468868,NA,"PDBC33692","678117","Present",NA,NA
+"33693","Cryptolepinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cryptolepinone",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C4=CC=CC=C4N3","RSDQEJTWGFZASQ-UHFFFAOYSA-N",178034,NA,"PDBC33693","669520","Present",NA,NA
+"33694","Cryptophycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cryptophycin",NA,"CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC(=C(C=C4)OC)Cl","PSNOPSMXOBPNNV-UKTHLTGXSA-N",5468287,NA,"PDBC33694","667642","Present",NA,NA
+"33695","Cryptophycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cryptophycin B",NA,"CC1CNC(=O)C(NC(=O)C=CCC(OC(=O)C(OC1=O)CC(C)C)C(C)C2C(O2)C3=CC=CC=C3)CC4=CC=C(C=C4)OC","YFGZFQNBPSCWPN-FOLMERSESA-N",5468424,NA,"PDBC33695","670038","Present",NA,NA
+"33696","Cryptopine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cryptopine",NA,"COC1=C(C=C2C(=C1)CCNCC3=C(CC2=O)C=CC4=C3OCO4)OC","WIILRXFCYJMJTC-UHFFFAOYSA-N",371229,NA,"PDBC33696","645287","Present",NA,NA
+"33697","Cryptopleurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cryptopleurine",NA,"COC1=CC2=C(C=C1)C3=C(CC4CCCCN4C3)C5=CC(=C(C=C52)OC)OC","RSHYSOGXGSUUIJ-OAHLLOKOSA-N",92765,NA,"PDBC33697","19912","Present",NA,NA
+"33698","Cryptosporiopsin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cryptosporiopsin",NA,"CC=CC1=C(C(=O)C(C1(C(=O)OC)O)Cl)Cl","VFXXEEUGYINLKM-KHSHYHJCSA-N",5382352,NA,"PDBC33698","137442","Present",NA,NA
+"33699","Cryptotanshinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-Cryptotanshinone",NA,"CC1COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C","GVKKJJOMQCNPGB-JTQLQIEISA-N",160254,NA,"PDBC33699","686518","Present",NA,NA
+"33700","Crystox oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crystox oxime",NA,"CC1=CC(C(C(C1)(C)C)O)C2C(=NO)C=C(CC2(C)C)C","JFSZVSHUGZIAMG-XMHGGMMESA-N",5351766,NA,"PDBC33700","40781","Present",NA,NA
+"33701","Csf1R-IN-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TPX-0022",NA,"CCN1CC2=C(C=CC(=C2C#N)F)OC(CNC(=O)C3=C4N=C1C=CN4N=C3N)C","UUDPUQDMSHQSKH-NSHDSACASA-N",137455315,NA,"PDBC33701","820832","Present",NA,NA
+"33702","Cu(II)2(3,5-Diisopropylacetyl salicylate).2H2O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cu(II)2(3,5-Diisopropylacetyl salicylate).2H2O",NA,"CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])OC(=O)C)C(C)C.[Cu+2].[Cu+2]","ZAMPHWUWZXELAZ-UHFFFAOYSA-J",394476,NA,"PDBC33702","697989","Present",NA,NA
+"33703","Cu,3-5-Diisopropyl salicylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cu,2Mn,3-5-Diisopropyl salicylate",NA,"CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.CC(C)C1=CC(=C(C(=C1)C(=O)[O-])O)C(C)C.[Mn+2].[Mn+2].[Cu+2]","HNLWSVSCHMDWHS-UHFFFAOYSA-H",11979352,NA,"PDBC33703","649864","Present",NA,NA
+"33704","Cuban-1-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB13672",NA,"C(C12C3C4C1C5C4C3C25)O","SHBYTOJQOCOSPG-UHFFFAOYSA-N",276345,NA,"PDBC33704","124081","Present",NA,NA
+"33705","Cubane-1,3,5,7-tetracarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cubane-1,3,5,7-tetracarboxylic acid",NA,"C12C3(C4C1(C5C2(C3C45C(=O)O)C(=O)O)C(=O)O)C(=O)O","QGYMAFGVNUKBCO-UHFFFAOYSA-N",392842,NA,"PDBC33705","693854","Present",NA,NA
+"33706","Cubane-1,4-dicarbohydroxamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cubane-1,4-dicarbohydroxamic acid",NA,"C12C3C4C1(C5C2C3(C45)C(=O)NO)C(=O)NO","FFCVPSDLKBORSP-UHFFFAOYSA-N",369225,NA,"PDBC33706","640931","Present",NA,NA
+"33707","Cucurbitacin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cucurbitacin A",NA,"CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)CO)C)C)O)O","IHTCCHVMPGDDSL-IVNGUWCNSA-N",5281315,NA,"PDBC33707","94743","Present",NA,NA
+"33708","Cucurbitacin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cucurbitacin B",NA,"CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3CC(C(=O)C4(C)C)O)C)C)C)O)O","IXQKXEUSCPEQRD-DKRGWESNSA-N",5281316,NA,"PDBC33708","49451","Present",NA,NA
+"33709","Cucurbitacin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"elatericin a",NA,"CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2CC(C1=O)O)C)C)C(C)(C(=O)C=CC(C)(C)O)O)O)C)C","SRPHMISUTWFFKJ-QJNWWGCFSA-N",5281318,NA,"PDBC33709","308606","Present",NA,NA
+"33710","Cucurbitacin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cucurbitacin e",NA,"CC(=O)OC(C)(C)C=CC(=O)C(C)(C1C(CC2(C1(CC(=O)C3(C2CC=C4C3C=C(C(=O)C4(C)C)O)C)C)C)O)O","NDYMQXYDSVBNLL-MUYMLXPFSA-N",5281319,NA,"PDBC33710","106399","Present",NA,NA
+"33711","Cucurbitacin I, 2-glucoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cucurbitacin I, 2-glucoside",NA,NA,NA,NA,NA,"PDBC33711","184734","Present",NA,NA
+"33712","Cucurbitacin K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cucurbitacin K",NA,"CC1(C2=CCC3C4(CC(C(C4(CC(=O)C3(C2C=C(C1=O)O)C)C)C(C)(C(=O)CC(C(C)(C)O)O)O)O)C)C","FBGLZDYMEULGSX-UHFFFAOYSA-N",270061,NA,"PDBC33712","112166","Present",NA,NA
+"33713","Culmorin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Culmorin",NA,"CC1(CCCC2(C3C1C(C2(CC3O)C)O)C)C","VWMGBHVRRNKOAE-UHFFFAOYSA-N",368926,NA,"PDBC33713","640334","Present",NA,NA
+"33714","Cumertilin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cumertilin",NA,"CN1C2=C(C(=O)N(C1=O)C)NC=N2.COC([CH2-])CC1=CC=CC2=C1OC(=O)C(=C2)C(=O)O.[OH-].[Hg+2]","UOZCRNZSQYGXHG-UHFFFAOYSA-M",413020,NA,"PDBC33714","44251","Present",NA,NA
+"33715","Cuneatin methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maxima isoflavone G methyl ether",NA,"COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3OC)OCO4","MSPWKPQQHHCXLR-UHFFFAOYSA-N",343083,NA,"PDBC33715","382030","Present",NA,NA
+"33716","Cuprate(1-), dibromo[2-[(2-pyridinyl)methylene][N,N-dipr...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cuprate(1-), dibromo[2-[(2-pyridinyl)methylene][N,N-dipr...",NA,NA,NA,NA,NA,"PDBC33716","635451","Present",NA,NA
+"33717","Cuprate(3-),5-dihydro-3-methyl-5-(oxo-kappaO)-1-(4-sulfophenyl)-1H-pyrazol-4-yl]azo-kappaN1]-3,3'-di(hydroxy-kappaO)[1,1'-biphenyl]-4-yl]azo-kappaN1]-5-(hydroxy-kappaO)-1,3-naphthalenedisulfonato(7-)]]di-, trihydrogen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cuprate(3-), [.mu.-[4-amino-6-[[4'-[[4,5-dihydro-3-methy...",NA,"CC1=NN(C(=C1N=[N+](C)C2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=C(C5=C(C=C4)C(=CC(=C5N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])[O-])[O-])C6=CC=C(C=C6)S(=O)(=O)[O-].[Na+].[Cu+2].[Cu+2]","IOMMPXQCMVXULH-UHFFFAOYSA-H",135502222,NA,"PDBC33717","306711","Present",NA,NA
+"33718","Cupric chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cupric chloride",NA,"Cl[Cu]Cl","ORTQZVOHEJQUHG-UHFFFAOYSA-L",24014,NA,"PDBC33718","165706","Present",NA,NA
+"33719","Cuprimyxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cuprimyxin",NA,NA,NA,NA,NA,"PDBC33719","136768","Present",NA,NA
+"33720","Curcumenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Curcumenol",NA,"CC1CCC2C13CC(=C(C)C)C(O3)(C=C2C)O","ISFMXVMWEWLJGJ-UHFFFAOYSA-N",387977,NA,"PDBC33720","682343","Present",NA,NA
+"33721","Curcumin tri adamantylaminoethylcarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"curcumin tri adamantylaminoethylcarbonate",NA,"COC1=C(C=CC(=C1)C=CC(=O)C(C(=O)CCNC23CC4CC(C2)CC(C4)C3)C(=O)C=CC5=CC(=C(C=C5)OC(=O)CCNC67CC8CC(C6)CC(C8)C7)OC)OC(=O)CCNC91CC2CC(C9)CC(C2)C1","OIZJAFUIARIRBU-FCXRPNKRSA-N",45028267,NA,"PDBC33721","742021","Present",NA,NA
+"33722","Curcumin tri trithiadiazolaminoethylcarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"curcumin tri trithiadiazolaminoethylcarbonate",NA,"CC1=NN=C(S1)NCCC(=O)C(C(=O)C=CC2=CC(=C(C=C2)OC(=O)CCNC3=NN=C(S3)C)OC)C(=O)C=CC4=CC(=C(C=C4)OC(=O)CCNC5=NN=C(S5)C)OC","MZBNBCXIVRFIPQ-JMQWPVDRSA-N",45028268,NA,"PDBC33722","742022","Present",NA,NA
+"33723","Curcumin-difluorinated (CDF)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Curcumin-difluorinated (CDF)",NA,"COC1=C(C=CC(=C1)C=CC(=O)C(=CC2=CC(=C(C=C2)F)F)C(=O)C=CC3=CC(=C(C=C3)O)OC)O","UUPCLOLPGXQUSO-LUZURFALSA-N",54597187,NA,"PDBC33723","752571","Present",NA,NA
+"33724","Currayanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Currayanine",NA,"CC1=CC2=C(C3=C1OC4(CCC(C3C4)C(=C)C)C)NC5=CC=CC=C52","KXNHNLQCCJZSEK-UHFFFAOYSA-N",375144,NA,"PDBC33724","654278","Present",NA,NA
+"33725","Curromycin A.B mixture",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Curromycin A.B mixture",NA,"CC1C(=O)C(C2(C1(C(CC(C)C(C=CC=CCNC(=O)C(C)(C)C(C(=CC=CC=CCC3=CN=C(O3)C)C)O)O)OC)O)C(OC2=O)C)NC.CC1C(=O)C(C2(C1(C(CC(C)C(C=CC=CCNC(=O)C(C)(C)C(C(=CC=CC=CCC3=CN=C(O3)C)C)O)O)OC)O)C(OC2=O)COC)NC","BVVIQKQEIHWNNI-WIMVRUGNSA-N",54608021,NA,"PDBC33725","606307","Present",NA,NA
+"33726","Curryangine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Curryangine",NA,"CC1=CC2=C3C4=C1OC5(CCC(C4C5)C(N3C6=CC=CC=C62)(C)C)C","YPSWCORASQDCJM-UHFFFAOYSA-N",375143,NA,"PDBC33726","654277","Present",NA,NA
+"33727","Curvularin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Curvularin",NA,"CC1CCCCCC(=O)C2=C(CC(=O)O1)C=C(C=C2O)O","VDUIGYAPSXCJFC-UHFFFAOYSA-N",296197,NA,"PDBC33727","166071","Present",NA,NA
+"33728","Cuspidatin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cuspidatin B",NA,"CC1=C2C(C(C3(C(CC(C(=C)C3C(C(C2(C)C)CC1OC(=O)C=CC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","KSOKFZHEGYQOLT-WUKNDPDISA-N",5459163,NA,"PDBC33728","636858","Present",NA,NA
+"33729","Cuspidatin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cuspidatin C",NA,"CC1=C2C(C(C3(C(CC(C2(C)C)CC1OC(=O)C)C(=C)C(CC3OC(=O)C)OC(=O)C=CC4=CC=CC=C4)C)OC(=O)C)OC(=O)C","MIJTXBNFQDJTPL-FOCLMDBBSA-N",5459164,NA,"PDBC33729","636859","Present",NA,NA
+"33730","Custom Peptide 835899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Custom Peptide 835899",NA,NA,NA,NA,NA,"PDBC33730","756651","Present",NA,NA
+"33731","Cutisone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kutizon",NA,"CC(C)C1=CC=C(C=C1)C=NNC(=S)N","GCIARVDJUYGSFQ-NTUHNPAUSA-N",6474556,NA,"PDBC33731","9936","Present",NA,NA
+"33732","Cyanic acid, 4-(1-methyl-1-phenylethyl)phenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Cumylphenol cyanate ester",NA,"CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC#N","SUXGZGQKIFLKOR-UHFFFAOYSA-N",371796,NA,"PDBC33732","646240","Present",NA,NA
+"33733","Cyano pyridine-P-CH3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyano pyridine -P-CH3",NA,"CC1=CC=C(C=C1)C2=NC(=C(C3=C2CCOC4=C3C=CC5=CC=CC=C54)C#N)N","YCMLFBCKYRENRA-UHFFFAOYSA-N",406496,NA,"PDBC33733","724623","Present",NA,NA
+"33734","Cyano-[3-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boranuide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[3-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boranuide",NA,NA,NA,NA,NA,"PDBC33734","698277","Present",NA,NA
+"33735","Cyano-[4-[(1,1,1-trifluoropropan-2-ylamino)carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[(1,1,1-trifluoropropan-2-ylamino)carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33735","676928","Present",NA,NA
+"33736","Cyano-[4-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[(1-phenylethylamino)carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33736","672811","Present",NA,NA
+"33737","Cyano-[4-[[(2,2,2-trifluoro-1-phenylethyl)amino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[(2,2,2-trifluoro-1-phenylethyl)amino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33737","679107","Present",NA,NA
+"33738","Cyano-[4-[[(3,4-dimethoxyphenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[(3,4-dimethoxyphenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33738","697119","Present",NA,NA
+"33739","Cyano-[4-[[(4-fluorophenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[(4-fluorophenyl)methylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33739","697118","Present",NA,NA
+"33740","Cyano-[4-[[1-(2,4-dichlorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[1-(2,4-dichlorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33740","697115","Present",NA,NA
+"33741","Cyano-[4-[[1-(2,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[1-(2,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33741","697116","Present",NA,NA
+"33742","Cyano-[4-[[1-(2-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[1-(2-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33742","697113","Present",NA,NA
+"33743","Cyano-[4-[[1-(3,4-dichlorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[1-(3,4-dichlorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33743","676925","Present",NA,NA
+"33744","Cyano-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[1-(3,4-dimethoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33744","676926","Present",NA,NA
+"33745","Cyano-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[1-(3-fluoro-4-methoxyphenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33745","672813","Present",NA,NA
+"33746","Cyano-[4-[[1-(3-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[1-(3-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33746","697114","Present",NA,NA
+"33747","Cyano-[4-[[1-(4-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[1-(4-fluorophenyl)ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33747","676924","Present",NA,NA
+"33748","Cyano-[4-[[1-[3-(trifluoromethyl)phenyl]ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[1-[3-(trifluoromethyl)phenyl]ethylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33748","672812","Present",NA,NA
+"33749","Cyano-[4-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyano-[4-[[[3-(trifluoromethyl)phenyl]methylamino]carbamoyl]pyridin-1-ium-1-yl]boron",NA,NA,NA,NA,NA,"PDBC33749","698276","Present",NA,NA
+"33750","Cyanoamino pyranopyrane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CYANOAMINO PYRANOPYRANE",NA,"COC1=C(C=C(C=C1)C2C3=C(C4=C(C=CC(=C4)F)OC3)OC(=C2C#N)N)OC","FLLZTOGZQZQUFB-UHFFFAOYSA-N",11625098,NA,"PDBC33750","731531","Present",NA,NA
+"33751","Cyanoaminopyranopyridine derivatives",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyanoaminopyranopyridine derivatives",NA,"COC1=C(C=C(C=C1)C2=C3COC4=C(C3=NC(=C2C#N)N)C=C(C=C4)F)OC","VUDZKZYXJJIUPC-UHFFFAOYSA-N",11494577,NA,"PDBC33751","731527","Present",NA,NA
+"33752","Cyanoanilino-azatoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyanoanilino-azatoxin",NA,"COC1=CC(=CC(=C1O)OC)C2C3=C(C(C4N2C(=O)OC4)NC5=CC=C(C=C5)C#N)C6=CC=CC=C6N3","UXAJBPQENPJRSE-LLHWJCAFSA-N",378897,NA,"PDBC33752","662305","Present",NA,NA
+"33753","Cyanocycline A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CYANO-NAPA///cyanocycline a",NA,"CC1=C(C(=O)C2=C(C1=O)C3C4C5C(CC(N5C)C(N4C2CO)C#N)C6N3CCO6)OC","KDWXMIJUXUSUMZ-UHFFFAOYSA-N",100158,NA,"PDBC33753","348121///349644","Present",NA,NA
+"33754","Cyanomorpholinoadriamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyanomorpholinodoxorubicin",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6C#N)O","YIMDLWDNDGKDTJ-WJRCOUIISA-N",337854,NA,"PDBC33754","357704","Present",NA,NA
+"33755","Cyanopindolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyanopindolol",NA,"CC(C)(C)NCC(COC1=CC=CC2=C1C=C(N2)C#N)O","QXIUMMLTJVHILT-UHFFFAOYSA-N",155346,NA,"PDBC33755","707473","Present",NA,NA
+"33756","Cyanopyridine-OCH3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyanopyridine - OCH3",NA,"COC1=CC=C(C=C1)C2=NC(=C(C3=C2CCOC4=C3C=CC5=CC=CC=C54)C#N)N","MJNKELXSVHNDGL-UHFFFAOYSA-N",406497,NA,"PDBC33756","724624","Present",NA,NA
+"33757","Cyc065",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CYC-065",NA,"CCC(C(C)O)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CN=C(C=C3C)C","DLPIYBKBHMZCJI-WBVHZDCISA-N",24983461,NA,"PDBC33757","806387","Present",NA,NA
+"33758","Cyclamin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclamin",NA,"CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(CO7)O)O)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)CCC91C3(CC(C2(C9CC(CC2)(C)C=O)CO1)O)C)C)C","JPEQATLMKATGAQ-UHFFFAOYSA-N",418710,NA,"PDBC33758","104795","Present",NA,NA
+"33759","Cycleanine plus mixture of other alkaloids",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cycleanine plus mixture of other alkaloids",NA,"CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC=C(O3)C=C7)N(CCC6=CC(=C5OC)OC)C)OC)OC","ANOXEUSGZWSCQL-UHFFFAOYSA-N",357329,NA,"PDBC33759","615580","Present",NA,NA
+"33760","Cyclic dibutyryl AMP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclic dibutyryl amp",NA,"CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)O)OC(=O)CCC","CJGYSWNGNKCJSB-UHFFFAOYSA-N",2460,NA,"PDBC33760","143108","Present",NA,NA
+"33761","Cycliramine maleate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cycliramine Maleate",NA,"CN1CCC(=C(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CC1.C(=CC(=O)O)C(=O)O","KJSKCUMUVXPETM-BTJKTKAUSA-N",5357113,NA,"PDBC33761","70933","Present",NA,NA
+"33762","Cyclo(-(R)-b2hPhe-D-Pro-Lys-Phe)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclo(-(R)-b2hPhe-D-Pro-Lys-Phe)",NA,"C1CC2C(=O)NC(C(=O)NC(C(=O)NCC(C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCN","BZCYOJCHUSYJRM-KEVKATSASA-N",16083382,NA,"PDBC33762","742380","Present",NA,NA
+"33763","Cyclo(-D-His-Pro)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[1,2-a]pyrazine-1,4-dione, octahydro-3-1H-imidazo...",NA,"C1CC2C(=O)NC(C(=O)N2C1)CC3=CN=CN3","NAKUGCPAQTUSBE-BDAKNGLRSA-N",360579,NA,"PDBC33763","622731","Present",NA,NA
+"33764","Cyclo(-Phe-D-Pro-Lys-(R)-b2hPhe-)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclo(-Phe-D-Pro-Lys-(R)-b2hPhe-)",NA,"C1CC2C(=O)NC(C(=O)NCC(C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCN","AIVCKLBXQILLHD-KEVKATSASA-N",16083381,NA,"PDBC33764","742381","Present",NA,NA
+"33765","Cyclo(D-Glu-D-Arg-L-Trp-D-Glu-D-Asp)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclo(D-Glu-D-Arg-L-Trp-D-Glu-D-Asp)",NA,"C1=CC=C2C(=C1)C(=CN2)CC3C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CCCN=C(N)N)CCC(=O)O)CC(=O)O)CCC(=O)O","PWFDNTNQXNUWMW-CSEOROSGSA-N",390616,NA,"PDBC33765","688217","Present",NA,NA
+"33766","Cyclo(Tyr-Pro)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclo(Tyr-Pro)",NA,"C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=C(C=C3)O","LSGOTAXPWMCUCK-UHFFFAOYSA-N",371682,NA,"PDBC33766","646120","Present",NA,NA
+"33767","Cyclo(leucylphenylalanylprolylvalylornithylleucylphenylalanylprolylvalylornithyl)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GRAMICIDIN",NA,"CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CC5=CC=CC=C5","IUAYMJGZBVDSGL-UHFFFAOYSA-N",3851247,NA,"PDBC33767","757043","Present",NA,NA
+"33768","Cyclo(tyrosyl-tyrosyl)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclo(tyr-tyr)",NA,"C1=CC(=CC=C1CC2C(=O)NC(C(=O)N2)CC3=CC=C(C=C3)O)O","NGPCLOGFGKJCBP-UHFFFAOYSA-N",192816,NA,"PDBC33768","686960","Present",NA,NA
+"33769","Cyclo-C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclo-C",NA,"CC(=O)O.C1=CN2C3C(C(C(O3)CO)O)OC2=NC1=N","LOALESLYJVZMHL-UHFFFAOYSA-N",279062,NA,"PDBC33769","129220","Present",NA,NA
+"33770","Cyclo-Tyr-Gly-Gly-Ala-Ala-Val",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclo-Tyr-Gly-Gly-Ala-Ala-Val",NA,"CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCC(=O)N1)CC2=CC=C(C=C2)O)C(C)C)C","XMBYOZQFNHPCMB-UHFFFAOYSA-N",362685,NA,"PDBC33770","626920","Present",NA,NA
+"33771","Cycloalkannin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cycloalkannin///Cycloshikonin",NA,"CC1(CCC(O1)C2=CC(=O)C3=C(C=CC(=C3C2=O)O)O)C","ALRXDRQNAJOPCP-GFCCVEGCSA-N",375418,NA,"PDBC33771","301457///655105","Present",NA,NA
+"33772","Cycloart-23-ene-3beta,25-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,19-cycloart-23-ene-3.beta.,25-diol",NA,"CC(CC=CC(C)(C)O)C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)O)C)C","JSPGKOBNHWTKNT-CPGXJQKCSA-N",5470009,NA,"PDBC33772","695835","Present",NA,NA
+"33773","Cyclobenzaprine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclobenzaprine Hydrochloride",NA,"CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl","VXEAYBOGHINOKW-UHFFFAOYSA-N",22576,NA,"PDBC33773","78206","Present",NA,NA
+"33774","Cyclobutanemethanol, 1-[(2-amino-6-chloro-4-pyrimidinyl)aminomethyl]-3-(2-phenylethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclobutanemethanol, 1-[(2-amino-6-chloro-4-pyrimidinyl)...",NA,"C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CCC3=CC=CC=C3","DEGVLBSOWCMLRE-UHFFFAOYSA-N",385232,NA,"PDBC33774","676345","Present",NA,NA
+"33775","Cyclobutanemethanol,5-diamino-4-chloro-6-pyrimidinyl)amino]methyl]-3-(2-phenylethyl)-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclobutanemethanol, 1-[[(2,5-diamino-4-chloro-6-pyrimid...///NSC718377///NSC718378",NA,"C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)CCC3=CC=CC=C3.Cl","VIAPFHALGCEHPL-UHFFFAOYSA-N",385251,NA,"PDBC33775","676363///718377///718378","Present",NA,NA
+"33776","Cyclobutanemethanol,5-diamino-6-chloro-4-pyrimidinyl)amino]methyl]-3-(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclobutanemethanol, 1-[[(2,5-diamino-6-chloro- 4-pyrimi...",NA,"C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)CC3=CC=CC=C3.Cl","VRPJYIYQJCCLAE-UHFFFAOYSA-N",385249,NA,"PDBC33776","676362","Present",NA,NA
+"33777","Cyclobutanemethanol,5-diamino-6-pyrimidinyl)amino]methyl]-3-(2-phenylethyl)-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclobutanemethanol, 1-[[(2,5-diamino-6-pyrimidinyl)amin...",NA,"C1C(CC1(CNC2=NC(=NC=C2N)N)CO)CCC3=CC=CC=C3.Cl","YHDGQEFQSOTBNS-UHFFFAOYSA-N",385202,NA,"PDBC33777","676316","Present",NA,NA
+"33778","Cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-3,4,5,8-tetrahydro-1H-isoquinolin-2-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-{[2-(Cyclobutylcarbonyl)-6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-yl]methyl}-2-methoxyphenol",NA,"COC1=CCC2=C(C1)CCN(C2CC3=CC(=C(C=C3)OC)O)C(=O)C4CCC4","MXJNEAKHSPRQHX-UHFFFAOYSA-N",401790,NA,"PDBC33778","715520","Present",NA,NA
+"33779","Cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclobutyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]methanone",NA,"COC1=C(C=C(C=C1)CC2C3=C(CCN2C(=O)C4CCC4)CC5(CC3)OCCO5)O","FULWIOLQMIUKPJ-UHFFFAOYSA-N",401786,NA,"PDBC33779","715516","Present",NA,NA
+"33780","Cyclobuxoxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CYCLOBUXOXINE",NA,"CC(=O)C1C(CC2(C1(CCC34C2CCC5C3(C4)CCC(C5=C)NC)C)C)O","KTASKRCJBXZGMH-UHFFFAOYSA-N",265755,NA,"PDBC33780","102243","Present",NA,NA
+"33781","Cyclocreatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclocreatine",NA,"C1CN(C(=N1)N)CC(=O)O","AMHZIUVRYRVYBA-UHFFFAOYSA-N",2896,NA,"PDBC33781","707961","Present",NA,NA
+"33782","Cyclodisone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CYCLODISONE",NA,"C1COS(=O)(=O)CS(=O)(=O)O1","RYIRMSRYCSMGJA-UHFFFAOYSA-N",57513,NA,"PDBC33782","348948","Present",NA,NA
+"33783","Cyclododecyl 3-(methylthio)phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclododecyl 3-(methylthio)phenylcarbamate",NA,"CSC1=CC=CC(=C1)NC(=O)OC2CCCCCCCCCCC2","SZWOHQOCXPXIKB-UHFFFAOYSA-N",311389,NA,"PDBC33783","216621","Present",NA,NA
+"33784","Cycloguanil hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chlorazin",NA,"CC1(N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N)C.Cl","MOUAPRKJJUXEIE-UHFFFAOYSA-N",9048,NA,"PDBC33784","3074","Present",NA,NA
+"33785","Cyclohepta[cd]benzofuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohepta[cd]benzofuran",NA,"C1=CC2=C3C(=COC3=CC=C2)C=C1","LVPPKGKYUKHMAB-UHFFFAOYSA-N",387177,NA,"PDBC33785","680713","Present",NA,NA
+"33786","Cyclohepta[cd]benzofuran-6(2H)-one, 2a,3,4,5-tetrahydro-7-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohepta[cd]benzofuran-6(2H)-one, 2a,3,4,5-tetrahydro-7-methoxy-",NA,"COC1=C2C(=O)CCCC3C2=C(C=C1)OC3","NRRJRNLDKNSCFO-UHFFFAOYSA-N",361612,NA,"PDBC33786","624797","Present",NA,NA
+"33787","Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cycloheptanecarboxylic acid, 2-oxo-1-(3-oxobutyl)-, methyl ester",NA,"CC(=O)CCC1(CCCCCC1=O)C(=O)OC","KFPSMQRDMYIJAZ-UHFFFAOYSA-N",396661,NA,"PDBC33787","703175","Present",NA,NA
+"33788","Cyclohex-2-en-1-yl 2-(1,3-dioxoisoindol-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohex-2-en-1-yl 2-(1,3-dioxoisoindol-2-yl)acetate",NA,"C1CC=CC(C1)OC(=O)CN2C(=O)C3=CC=CC=C3C2=O","ZHUUFKGRYKWCTF-UHFFFAOYSA-N",359225,NA,"PDBC33788","619934","Present",NA,NA
+"33789","Cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanamine; (1-phosphono-2-propylsulfanyl-ethyl)phosphonic acid",NA,"CCCSCC(P(=O)(O)O)P(=O)(O)O.C1CCC(CC1)N","CYBBPRHFJOFCMN-UHFFFAOYSA-N",362651,NA,"PDBC33789","626867","Present",NA,NA
+"33790","Cyclohexanamine; (1-phosphonocyclopropyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanamine; (1-phosphonocyclopropyl)phosphonic acid",NA,"C1CCC(CC1)N.C1CC1(P(=O)(O)O)P(=O)(O)O","HGLMXORPHWHEEB-UHFFFAOYSA-N",370654,NA,"PDBC33790","644017","Present",NA,NA
+"33791","Cyclohexanamine; (2-phenylsulfanyl-1-phosphono-ethyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanamine; (2-phenylsulfanyl-1-phosphono-ethyl)phosphonic acid",NA,"C1CCC(CC1)N.C1=CC=C(C=C1)SCC(P(=O)(O)O)P(=O)(O)O","VLNXBHNYABSANK-UHFFFAOYSA-N",362649,NA,"PDBC33791","626866","Present",NA,NA
+"33792","Cyclohexanamine; 1-phosphonocyclopropanecarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanamine; 1-phosphonocyclopropanecarboxylic acid",NA,"C1CCC(CC1)N.C1CC1(C(=O)O)P(=O)(O)O","CEQDKEOSHKMPSW-UHFFFAOYSA-N",362647,NA,"PDBC33792","626864","Present",NA,NA
+"33793","Cyclohexanamine; 3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanamine; 3,3-dichloro-2-(phosphonomethyl)prop-2-enoic acid",NA,"C1CCC(CC1)N.C(C(=C(Cl)Cl)C(=O)O)P(=O)(O)O","BEHVQWOSCBISLG-UHFFFAOYSA-N",367583,NA,"PDBC33793","637416","Present",NA,NA
+"33794","Cyclohexanamine;(1-hydroxy-3-methylbutyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanamine;(1-hydroxy-3-methylbutyl)phosphonic acid",NA,"CC(C)CC(O)P(=O)(O)O.C1CCC(CC1)N","MUNKBGPKGSJUNX-UHFFFAOYSA-N",397392,NA,"PDBC33794","705134","Present",NA,NA
+"33795","Cyclohexanamine;[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanamine;[(E)-1-hydroxy-3-phenylprop-2-enyl]phosphonic acid",NA,"C1CCC(CC1)N.C1=CC=C(C=C1)C=CC(O)P(=O)(O)O","FSDYHAPZUFGZDE-UHDJGPCESA-N",5470789,NA,"PDBC33795","705133","Present",NA,NA
+"33796","Cyclohexane-1,2-diamine;platinum(4+);selenite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Diamino-cyclohexane-Pt-SeO3",NA,"C1CCC(C(C1)N)N.[O-][Se](=O)[O-].[Pt+4]","BKPWVSBNDWXWJY-UHFFFAOYSA-L",24202320,NA,"PDBC33796","638728","Present",NA,NA
+"33797","Cyclohexane;1,3-diphenylpropane-1,3-dione;tin(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644922",NA,"C1CC[CH-]CC1.C1CC[CH-]CC1.C1CC[CH-]CC1.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Sn+4]","ZDMZJLQLUXJBIT-UHFFFAOYSA-N",371035,NA,"PDBC33797","644922","Present",NA,NA
+"33798","Cyclohexanecarbonitrile, 1-[(2-cyanocyclohexyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanecarbonitrile, 1-[(2-cyanocyclohexyl)amino]-",NA,"C1CCC(CC1)(C#N)NC2CCCCC2C#N","ZQPYNJHDXOORBF-UHFFFAOYSA-N",370368,NA,"PDBC33798","643433","Present",NA,NA
+"33799","Cyclohexanol, 1-benzo[b]thien-2-yl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanol, 1-benzo[b]thien-2-yl-",NA,"C1CCC(CC1)(C2=CC3=CC=CC=C3S2)O","LNKGDUAAWGRNLT-UHFFFAOYSA-N",398367,NA,"PDBC33799","708084","Present",NA,NA
+"33800","Cyclohexanone, 2,6-bis[(1-pyrrolidinyl)methyl]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanone, 2,6-bis[(1-pyrrolidinyl)methyl]-, dihydro...",NA,"C1CCN(C1)CC2CCCC(C2=O)CN3CCCC3.Cl","LDTHEELDCAJOJP-UHFFFAOYSA-N",380174,NA,"PDBC33800","665622","Present",NA,NA
+"33801","Cyclohexanone, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanone, 2-[(dimethylamino)methyl]-6-(piperidinome...",NA,"CN(C)CC1CCCC(C1=O)CN2CCCCC2.Cl","JQZWLKOQZGPSAC-UHFFFAOYSA-N",382272,NA,"PDBC33801","38534","Present",NA,NA
+"33802","Cyclohexanone,6-bis(4-morpholinylmethyl)-,dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-bis(4-morpholinylmethyl)cyclohexanone,dihydrochloride",NA,"C1CC(C(=O)C(C1)CN2CCOCC2)CN3CCOCC3.Cl","SCBXUVILBQDHCR-UHFFFAOYSA-N",373396,NA,"PDBC33802","38535","Present",NA,NA
+"33803","Cyclohexanone,6-bis[(dibenzylamino)methyl]-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexanone, 2,6-bis[[bis(phenylmethy)amino]methyl]-,d...///NSC649639",NA,"C1CC(C(=O)C(C1)CN(CC2=CC=CC=C2)CC3=CC=CC=C3)CN(CC4=CC=CC=C4)CC5=CC=CC=C5.Cl","ZPZCMRZHPQFCLU-UHFFFAOYSA-N",373390,NA,"PDBC33803","38538///649639","Present",NA,NA
+"33804","Cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexyl 3-(2-methyl-1,3-dioxolan-2-yl)propanoate",NA,"CC1(OCCO1)CCC(=O)OC2CCCCC2","PDWWQBMZXPPOMZ-UHFFFAOYSA-N",243715,NA,"PDBC33804","53853","Present",NA,NA
+"33805","Cyclohexyl 5-amino-4-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexyl 5-amino-4-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-5-oxopentanoate",NA,"CC(C)CC(C(=O)NC(CCC(=O)OC1CCCCC1)C(=O)N)NC(=O)OC(C)(C)C","RVIKPCNMLYPRGL-UHFFFAOYSA-N",382700,NA,"PDBC33805","670348","Present",NA,NA
+"33806","Cyclohexyl N-(4-chlorophenyl)carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamodithioic acid, (4-chlorophenyl)-, cyclohexyl ester",NA,"C1CCC(CC1)SC(=S)NC2=CC=C(C=C2)Cl","AABYDMFWAYJUCV-UHFFFAOYSA-N",3920487,NA,"PDBC33806","306916","Present",NA,NA
+"33807","Cyclohexyl diethylcarbamo(dithioperoxo)thioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclohexyl diethylcarbamo(dithioperoxo)thioate",NA,"CCN(CC)C(=S)SSC1CCCCC1","HPWDEMOJNYTTFK-UHFFFAOYSA-N",46197114,NA,"PDBC33807","749794","Present",NA,NA
+"33808","Cyclohexylamine hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexamine, Hydrobromide salt",NA,"C1CCC(CC1)N.Br","QOHWJRRXQPGIQW-UHFFFAOYSA-N",117303,NA,"PDBC33808","613661","Present",NA,NA
+"33809","Cyclohexylmethanamine;cyclohexylmethylcarbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohexylmethanamine;cyclohexylmethylcarbamic acid",NA,"C1CCC(CC1)CN.C1CCC(CC1)CNC(=O)O","GCDRSMRLAAOGCB-UHFFFAOYSA-N",231799,NA,"PDBC33809","28527","Present",NA,NA
+"33810","Cycloleucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acpc",NA,"C1CCC(C1)(C(=O)O)N","NILQLFBWTXNUOE-UHFFFAOYSA-N",2901,NA,"PDBC33810","1026","Present",NA,NA
+"33811","Cyclomethylenomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclomethylenomycin A",NA,"CC12C3C(COC3=O)C(=O)C1(O2)C","RFDCJNGGZLEIHA-UHFFFAOYSA-N",325631,NA,"PDBC33811","294708","Present",NA,NA
+"33812","Cycloocta-1,5-diene;iridium;trimethylphosphanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cycloocta-1,5-diene;iridium;trimethylphosphanium;chloride",NA,"C[PH+](C)C.C[PH+](C)C.C[PH+](C)C.C1CC=CCCC=C1.[Cl-].[Ir]","ODUMXGNMXMLLHF-UHFFFAOYSA-P",54611278,NA,"PDBC33812","625569","Present",NA,NA
+"33813","Cycloocta[c]pyrrolo[3,4-a]carbazole-1,3(2H,3aH)-dione, 3b,4,5,6,7,8,9,9a,14,14b-decahydro-2-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(4-Methoxyphenyl)-4,22-diazapentacyclo[13.7.0.02,6.07,14.016,21]docosa-1(15),16,18,20-tetraene-3,5-dione",NA,"COC1=CC=C(C=C1)N2C(=O)C3C4CCCCCCC4C5=C(C3C2=O)NC6=CC=CC=C65","JTSCEXJIZOCYPM-UHFFFAOYSA-N",373642,NA,"PDBC33813","650362","Present",NA,NA
+"33814","Cyclopenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopenin",NA,"CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC=CC=C4","APLKWZASYUZSBL-XPCCGILXSA-N",354160,NA,"PDBC33814","604989","Present",NA,NA
+"33815","Cyclopenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopenol",NA,"CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC(=CC=C4)O","BDDNYDPRCCDQQJ-XPCCGILXSA-N",354161,NA,"PDBC33815","604990","Present",NA,NA
+"33816","Cyclopent-3-en-1-yl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RRAUUFGVZBARFB-UHFFFAOYSA-N",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2CC=CC2","RRAUUFGVZBARFB-UHFFFAOYSA-N",357673,NA,"PDBC33816","617190","Present",NA,NA
+"33817","Cyclopenta-1,3-diene;3-[cyclopenta-1,4-dien-1-yl-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one;iron(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopenta-1,3-diene;3-[cyclopenta-1,4-dien-1-yl-(4-hydroxy-2-oxochromen-3-yl)methyl]-4-hydroxychromen-2-one;iron(2+)",NA,NA,NA,NA,NA,"PDBC33817","686387","Present",NA,NA
+"33818","Cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl-[2-(cyclopenta-1,4-dien-1-ylmethylazanidyl)ethyl]azanide;dichloroplatinum(2+);iron(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopenta-1,3-diene;cyclopenta-1,4-dien-1-ylmethyl-[2-(cyclopenta-1,4-dien-1-ylmethylazanidyl)ethyl]azanide;dichloroplatinum(2+);iron(2+)",NA,NA,NA,NA,NA,"PDBC33818","625197","Present",NA,NA
+"33819","Cyclopenta[a]naphthalen-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclopenta[a]naphthalen-3-one",NA,"C1=CC=C2C(=C1)C=CC3=C2C=CC3=O","OHLWLEWXJYNHQM-UHFFFAOYSA-N",21218162,NA,"PDBC33819","727347","Present",NA,NA
+"33820","Cyclopenta[c]thiophen-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4h-Cyclopenta[c]thiophen-4-one",NA,"C1=CC(=O)C2=CSC=C21","KVCZYLMNMFQLIH-UHFFFAOYSA-N",396933,NA,"PDBC33820","704116","Present",NA,NA
+"33821","Cyclopenta[c]thiophen-4-one,3-dibromo-5-hydroxy-, (cis)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopenta[c]thiophen-4-one, 6-amino-1,3-dibromo- 5-hydr...",NA,"C1(C(C(=O)C2=C(SC(=C21)Br)Br)O)N.Cl","VEFZBHDUIVKTJW-WINKWTMZSA-N",378558,NA,"PDBC33821","661196","Present",NA,NA
+"33822","Cyclopenta[c]thiophene-4,5,6-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopenta[c]thiophene-4,5,6-trione",NA,"C1=C2C(=CS1)C(=O)C(=O)C2=O","OWIHAGLFTZHUAW-UHFFFAOYSA-N",398918,NA,"PDBC33822","709152","Present",NA,NA
+"33823","Cyclopentane-1,3-trione 2-3',5'-dichlorophenyl hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentane-1,2,3-trione 2-3',5'-dichlorophenyl hydrazone",NA,"C1CC(=O)C(=C1O)N=NC2=CC(=CC(=C2)Cl)Cl","IFMDOIUKRLLSGS-UHFFFAOYSA-N",135503399,NA,"PDBC33823","622002","Present",NA,NA
+"33824","Cyclopentane-1,3-trione 2-p-methoxyphenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentane-1,2,3-trione 2-p-methoxyphenylhydrazone",NA,"COC1=CC=C(C=C1)N=NC2=C(CCC2=O)O","BWQWNMGNCWVGMR-UHFFFAOYSA-N",135503400,NA,"PDBC33824","622004","Present",NA,NA
+"33825","Cyclopentane-1,3-trione 2-phenylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentane-1,2,3-trione 2-phenylhydrazone",NA,"C1CC(=O)C(=C1O)N=NC2=CC=CC=C2","YWZWMVONPIUVCC-UHFFFAOYSA-N",135495903,NA,"PDBC33825","622003","Present",NA,NA
+"33826","Cyclopentane; 2-cyclopentylacetic acid; dichloroiron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentane; 2-cyclopentylacetic acid; dichloroiron",NA,NA,NA,NA,NA,"PDBC33826","608973","Present",NA,NA
+"33827","Cyclopentane; 3-cyclopentylpropanoic acid; dichloroiron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentane; 3-cyclopentylpropanoic acid; dichloroiron",NA,NA,NA,NA,NA,"PDBC33827","608974","Present",NA,NA
+"33828","Cyclopentane; dichloro(dichloroferriooxy)iron; dichloroiron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentane; dichloro(dichloroferriooxy)iron; dichloroiron",NA,NA,NA,NA,NA,"PDBC33828","608972","Present",NA,NA
+"33829","Cyclopentanecarboxcylic acid, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanecarboxcylic acid, 1-[(aminoacetyl)amino]-, m...",NA,"C1CCC(C1)(C(=O)O)NC(=O)CN.Cl","OAPCDPLXOSIBBF-UHFFFAOYSA-N",24837232,NA,"PDBC33829","66796","Present",NA,NA
+"33830","Cyclopentaneethanol, 1A,2A,4A(E)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentaneethanol, 3-[1-(2-aminophenyl)ethenyl]-.alpha...",NA,"CC=C(CO)C1CC(C(C1)(C(=C)C2=CC=CC=C2N)O)NCC3=CC=CC=C3","FOVDKDBHNLNUIY-WRHPGBTQSA-N",11969729,NA,"PDBC33830","617189","Present",NA,NA
+"33831","Cyclopentanemethanaminium, N,N,N-trimethyl-2-oxo-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanemethanaminium, N,N,N-trimethyl-2-oxo-, iodide",NA,"C[N+](C)(C)CC1CCCC1=O.[I-]","XGYPQXHXWPLYIF-UHFFFAOYSA-M",360085,NA,"PDBC33831","621889","Present",NA,NA
+"33832","Cyclopentanone (2-chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone (2-chloro-1-(chloro(difluoro)methyl)-2,2-difluoro-1-hydroxyethyl)hydrazone",NA,"C1CCC(=NNC(C(F)(F)Cl)(C(F)(F)Cl)O)C1","YJLZARZNOOBWLO-UHFFFAOYSA-N",377646,NA,"PDBC33832","659224","Present",NA,NA
+"33833","Cyclopentanone, (E)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-heptylidene-5-(1-pyrrolidinylmethyl)-,...",NA,"CCCCCCC=C1CCC(C1=O)CN2CCCC2.Cl","INFJGXMCBQDLQE-NSPIFIKESA-N",54608101,NA,"PDBC33833","639979","Present",NA,NA
+"33834","Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4-chlorophenyl)methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(4-chlorophenyl)aminomethyl]-5-[(4- c...",NA,"C1CC(=CC2=CC=C(C=C2)Cl)C(=O)C1CNC3=CC=C(C=C3)Cl","JOAUFDHOAGJLJG-SDNWHVSQSA-N",5927311,NA,"PDBC33834","639543","Present",NA,NA
+"33835","Cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]-hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]-...",NA,"CCCCC=C1CCC(C1=O)CN2CCCCC2.Cl","ZGHVKKQXNMIIGL-XHIXCECLSA-N",54608096,NA,"PDBC33835","639501","Present",NA,NA
+"33836","Cyclopentanone,1-dimethylethyl)silyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 3-[3-[(2-methoxyethoxy)methoxy]oct-1-eny...",NA,"CCCCCC(C=CC1CC(=O)CC1O[Si](C)(C)C(C)(C)C)OCOCCOC","UOHYGYKCCYPZLJ-AGSKSTGOSA-N",5351437,NA,"PDBC33836","689228","Present",NA,NA
+"33837","Cyclopentanone,3-benzodioxol-5-ylmethylene)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-5-(1,3- benzod...",NA,"CN(C)CC1CCC(=CC2=CC3=C(C=C2)OCO3)C1=O.Cl","VASGZDQVUKDLCZ-RRAJOLSVSA-N",21141939,NA,"PDBC33837","639515","Present",NA,NA
+"33838","Cyclopentanone,4-dimethoxyphenyl)methylene]-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-5-[(3,4- dimet...",NA,"CN(C)CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C1=O.Cl","MOXLWOCZURQQRY-KJEVSKRMSA-N",21141940,NA,"PDBC33838","639516","Present",NA,NA
+"33839","Cyclopentanone,5-bis[(dimethylamino)methyl]-, cis-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2,5-bis[(dimethylamino)methyl]-, cis-, d...",NA,"CN(C)CC1CCC(C1=O)CN(C)C.Cl","ZVXGOLVRKYRGHM-JMVWIVNTSA-N",11969936,NA,"PDBC33839","640391","Present",NA,NA
+"33840","Cyclopentanone,5-bis[(trimethylamino)methyl]-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclopentanone, 2,5-bis[(trimethylamino)methyl]-, iodide",NA,"C[N+](C)(C)CC1CCC(C1=O)C[N+](C)(C)C.[I-]","XZDUCKVDLVJZIK-UHFFFAOYSA-M",360925,NA,"PDBC33840","623639","Present",NA,NA
+"33841","Cyclopentenyl cytosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentenyl Cytosine",NA,"C1=CN(C(=O)N=C1N)C2C=C(C(C2O)O)CO","DUJGMZAICVPCBJ-VDAHYXPESA-N",72828,NA,"PDBC33841","375575","Present",NA,NA
+"33842","Cyclopentenyluracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CYCLOPENTENYLURACIL",NA,"C1=CN(C(=O)NC1=O)C2C=C(C(C2O)O)CO","FCWVOJUKQSHZIV-VDAHYXPESA-N",128937,NA,"PDBC33842","375574","Present",NA,NA
+"33843","Cyclopentyl (1-hydroxycyclohexyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentyl (1-hydroxycyclohexyl)acetate",NA,"C1CCC(CC1)(CC(=O)OC2CCCC2)O","RABXJVNSGMBEBF-UHFFFAOYSA-N",245396,NA,"PDBC33843","57345","Present",NA,NA
+"33844","Cyclopentyl(trimethyl)silane; dichloroniobium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentyl(trimethyl)silane; dichloroniobium",NA,NA,NA,NA,NA,"PDBC33844","645758","Present",NA,NA
+"33845","Cyclopropane-1,1,2,2-tetracarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclopropane-1,1,2,2-tetracarboxylic acid",NA,"C1C(C1(C(=O)O)C(=O)O)(C(=O)O)C(=O)O","FGQOVSPPSXYIBT-UHFFFAOYSA-N",380819,NA,"PDBC33845","666541","Present",NA,NA
+"33846","Cyclopropane-1,1-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vinaconic acid",NA,"C1CC1(C(=O)O)C(=O)O","FDKLLWKMYAMLIF-UHFFFAOYSA-N",69017,NA,"PDBC33846","626865","Present",NA,NA
+"33847","Cyclopropyl-[1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-3,4,5,8-tetrahydro-1H-isoquinolin-2-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-{[2-(Cyclopropylcarbonyl)-6-methoxy-1,2,3,4,5,8-hexahydroisoquinolin-1-yl]methyl}-2-methoxyphenol",NA,"COC1=CCC2=C(C1)CCN(C2CC3=CC(=C(C=C3)OC)O)C(=O)C4CC4","YTBOZXIBRPTTQO-UHFFFAOYSA-N",401788,NA,"PDBC33847","715518","Present",NA,NA
+"33848","Cyclopropylmethyl amide analog., 28",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW734508X",NA,"CC1=NN=C(O1)C2=CC=CC(=C2)C3=CC=C(C=C3)C(=O)NCC4CC4","LOQFPSAYBYTGOA-UHFFFAOYSA-N",25093474,NA,"PDBC33848","756329","Present",NA,NA
+"33849","Cycloprotobuxine C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alkaloid L",NA,"CC(C1CCC2(C1(CCC34C2CCC5C3(C4)CCC(C5(C)C)NC)C)C)N(C)C","PLKVWYPBRRRIQG-QGSMACLHSA-N",265756,NA,"PDBC33849","102244","Present",NA,NA
+"33850","Cyclopyrethrosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopyrethrosin",NA,"CC(=O)OC1C2C(CC3(C1C(=C)CCC3O)C)OC(=O)C2=C","IGJIZPZJCAPPBP-YQCBVSTRSA-N",279214,NA,"PDBC33850","129518","Present",NA,NA
+"33851","Cydectin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"moxidectin (usan)",NA,"CC1CC(=CCC2CC(CC3(O2)CC(=NOC)C(C(O3)C(=CC(C)C)C)C)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C","YZBLFMPOMVTDJY-CBYMMZEQSA-N",16760141,NA,"PDBC33851","760424","Present",NA,NA
+"33852","Cymarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cymarin",NA,"CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O","XQCGNURMLWFQJR-CISXATDNSA-N",222155,NA,"PDBC33852","7522","Present",NA,NA
+"33853","Cynodontin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cynodontin",NA,"CC1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O","NFQXCHAJWVRYND-UHFFFAOYSA-N",10148,NA,"PDBC33853","114343","Present",NA,NA
+"33854","Cyssor I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC328394",NA,"CC1=CC(=NC(=O)CBr)C=CC1=NS(=O)(=O)C2=CC=CC=C2","KBZGGWYMBUCHAU-PPMFUXQFSA-N",9573790,NA,"PDBC33854","328394","Present",NA,NA
+"33855","Cystamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cystamine hydrochloride///Cystamine 2HCL",NA,"C(CSSCCN)N.Cl","NULDEVQACXJZLL-UHFFFAOYSA-N",167628,NA,"PDBC33855","39322///613802","Present",NA,NA
+"33856","Cysteine, N-acetyl-S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cysteine, N-acetyl-S-[(4-aminocarbonyl-1H-imidazol-5-yl)...",NA,"CC(=O)NC(CSN=NC1=C(NC=N1)C(=O)N)C(=O)O","PLDBJHKVWNUEQW-CCEZHUSRSA-N",135493932,NA,"PDBC33856","684054","Present",NA,NA
+"33857","Cysteine, S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cysteine, S-[(4-aminocarbonyl-1H-imidazol-5-yl)azo]-",NA,"C1=NC(=C(N1)C(=O)N)N=NSCC(C(=O)O)N","OZJYOELRWINQGB-OUKQBFOZSA-N",135493928,NA,"PDBC33857","684043","Present",NA,NA
+"33858","Cystine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cystine (usan)",NA,"C(C(C(=O)O)N)SSCC(C(=O)O)N","LEVWYRKDKASIDU-UHFFFAOYSA-N",595,NA,"PDBC33858","755897","Present",NA,NA
+"33859","Cystine, N-2-propynyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cystine, N-2-propynyl-",NA,"C#CCNC(CSSCC(C(=O)O)N)C(=O)O","NZBAHLNNCRBXEZ-UHFFFAOYSA-N",392174,NA,"PDBC33859","692227","Present",NA,NA
+"33860","Cystothiazole A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cystothiazole A",NA,"CC(C)C1=NC(=CS1)C2=NC(=CS2)C=CC(C(C)C(=CC(=O)OC)OC)OC","LRTJMINIVSPVMX-ZVJWTWILSA-N",5470965,NA,"PDBC33860","706999","Present",NA,NA
+"33861","Cytallene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(4-hydroxy-1,2-butadien-1-yl)-cytosine (cytallene)",NA,"C1=C[N+](=CC=CCO)C(=NC1=N)[O-]","GHTIVOZHSNRAAW-JZXVYGCJSA-N",135436546,NA,"PDBC33861","626923","Present",NA,NA
+"33862","Cytidine, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytosine deoxy nucleoside hydrochloride",NA,"C1C(C(OC1N2C=CC(=NC2=O)N)CO)O.Cl","LTKCXZGFJFAPLY-UHFFFAOYSA-N",22713284,NA,"PDBC33862","83251","Present",NA,NA
+"33863","Cytidine,3'-O-(dibutylstannylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytidine, 2',3'-O-(dibutylstannylene)-",NA,"CCCC[Sn]1(OC2C(OC(C2O1)N3C=CC(=NC3=O)N)CO)CCCC","USALKYCONOYHAU-UHFFFAOYSA-N",16683813,NA,"PDBC33863","263611","Present",NA,NA
+"33864","Cyto4C6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794586",NA,"C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Br)C(F)(F)F)F","UCBXFYUXJKITGU-UHFFFAOYSA-N",2810424,NA,"PDBC33864","794586","Present",NA,NA
+"33865","Cyto4F10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyto4F10",NA,"C1=CC=C(C=C1)C(=C2C=CC(=NO)C(=C2)Br)C#N","TYXFBKRRSUTTPT-VPJURZAQSA-N",5715129,NA,"PDBC33865","143342","Present",NA,NA
+"33866","Cyto6F11",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyto6F11",NA,"C1CN(CCN1CCCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])CCCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)[N+](=O)[O-]","OYNMPOBOWPMEKI-UHFFFAOYSA-N",364089,NA,"PDBC33866","629730","Present",NA,NA
+"33867","Cyto8B7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyto8B7",NA,"COC1=C(C=C(C=C1)CCN2C(=O)C=CC2=O)OC","VTEURHGUCFTVGM-UHFFFAOYSA-N",282938,NA,"PDBC33867","137049","Present",NA,NA
+"33868","Cyto8F8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyto8F8",NA,"C1=CC=C(C=C1)C(=O)CC(C2=CC(=CC=C2)[N+](=O)[O-])SC3=CC=CC=C3N","HBSFQQKLTZDQKW-UHFFFAOYSA-N",300907,NA,"PDBC33868","176390","Present",NA,NA
+"33869","Cyto9E5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyto9E5",NA,"COC1=CC=C(C=C1)C(=C2C=CC(=NO)C=C2)C#N","CDNLWJKHJRCMDV-UHFFFAOYSA-N",346838,NA,"PDBC33869","405166","Present",NA,NA
+"33870","Cyto9H5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyto9H5",NA,"C1OC2=C(O1)C=C(C=C2)C(C[N+](=O)[O-])SC3=CC=CC=C3N","GOZMYDAYGPERLQ-UHFFFAOYSA-N",340720,NA,"PDBC33870","371777","Present",NA,NA
+"33871","Cytoblastin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytoblastin",NA,"CC(C)C1C(=O)NC(CC2=CNC3=C(C=CC(=C23)N1C)C(C4=CNC5=CC=CC=C54)C(CO)O)CO","NXVPLRFWXAISBZ-UHFFFAOYSA-N",132024,NA,"PDBC33871","654239","Present",NA,NA
+"33872","Cytochalasin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytochalasin A",NA,"CC1CCC(=O)CC=CC(=O)OC23C(C=CC1)C(C(=C)C(C2C(NC3=O)CC4=CC=CC=C4)C)O","OVJHDZBUADTCNV-GUZOQHLSSA-N",5475995,NA,"PDBC33872","174119","Present",NA,NA
+"33873","Cytochalasin e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytochalasin E",NA,"CC1CC=CC2C3C(O3)(C(C4C2(C(=O)NC4CC5=CC=CC=C5)OC(=O)OC=CC(C1=O)(C)O)C)C","LAJXCUNOQSHRJO-ZYGJITOWSA-N",5458385,NA,"PDBC33873","175151","Present",NA,NA
+"33874","Cytosine arabinoside monophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cytosine arabinoside monophosphate",NA,"C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)O","IERHLVCPSMICTF-UHFFFAOYSA-N",314,NA,"PDBC33874","99445","Present",NA,NA
+"33875","Cytosine, 1beta-D-arabinofuranosyl-N(sup 4)-lauroyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-lauroyl-",NA,"CCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","DIQMOLNTZYUDBX-UHFFFAOYSA-N",317642,NA,"PDBC33875","250686","Present",NA,NA
+"33876","Cytosine, 1beta-D-arabinofuranosyl-N(sup 4)-palmitoyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-palmitoyl-",NA,"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","XEFNBUBDJCJOGM-UHFFFAOYSA-N",317641,NA,"PDBC33876","250684","Present",NA,NA
+"33877","Cytosine, 1beta-D-arabinofuranosyl-N(sup 4)-stearoyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytosine, 1.beta.-D-arabinofuranosyl-N(sup 4)-stearoyl-",NA,"CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","ATYCGJJMRABBKG-UHFFFAOYSA-N",304673,NA,"PDBC33877","201290","Present",NA,NA
+"33878","Cytosine, 2',3',5'-tributyrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytosine, 1-.beta.-D-arabinofuranosyl-, 2',3',5'-tributy...",NA,"CCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)OC(=O)CCC)OC(=O)CCC","ABSMYRQJATYHGU-UHFFFAOYSA-N",283562,NA,"PDBC33878","138429","Present",NA,NA
+"33879","Cytostatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytostatin",NA,"CC=CC=CC=CC(C(C)C(CCC(C)C1C(C=CC(=O)O1)C)OP(=O)(O)O)O.[Na+]","DXWSCXWALSKXSD-ZHCXJCEOSA-N",54608857,NA,"PDBC33879","675266","Present",NA,NA
+"33880","Cytovaricin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytovaricin",NA,"CCC(CC1C(CCC2(O1)CC3C(C(O2)CC4(C(CC(CO4)C)C=CCCCC(C(C(C(C(C(C(C=CC(=O)O3)(C)O)O)C)O)OC5CC(C(C(O5)C)O)OC)O)(C)O)O)C)C)O","NORZLTHXFWGSAT-IMOQJAIBSA-N",5477715,NA,"PDBC33880","349622","Present",NA,NA
+"33881","D 15413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D 15413",NA,"CCN1C(=CC2=C1C=C(C=C2Cl)O)C3=C(C=C(C=C3Cl)O)Cl","ZATDYQOGSPTLBG-UHFFFAOYSA-N",54995,NA,"PDBC33881","370875","Present",NA,NA
+"33882","D 2928",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D 2928",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCOCC3)CCCNCC(C4=CC(=C(C=C4)O)O)O","XTDJYRRJDWTRSJ-UHFFFAOYSA-N",431464,NA,"PDBC33882","293895","Present",NA,NA
+"33883","D 4735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D 4735",NA,"CN1CN(C(=S)SC1)CC2=CC=CC=C2","BFLHJRCTMSBRPJ-UHFFFAOYSA-N",99221,NA,"PDBC33883","201646","Present",NA,NA
+"33884","D 54",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D 54",NA,"CC1(N=C(N=C(N1C2=CC(=C(C=C2)Cl)Cl)N)N)C.Cl","QNPHBRAPEGFQDV-UHFFFAOYSA-N",16207143,NA,"PDBC33884","3077","Present",NA,NA
+"33885","D&C Orange No. 4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"orange y",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)O)O.[Na+]","CQPFMGBJSMSXLP-UHFFFAOYSA-N",135436533,NA,"PDBC33885","9853","Present",NA,NA
+"33886","D,L-4-Fluoro-.alpha.-methyl-tryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D,L-4-Fluoro-.alpha.-methyl-tryptophan",NA,"CC(CC1=CNC2=C1C(=CC=C2)F)(C(=O)O)N","GOQMNBZWSVBUEU-UHFFFAOYSA-N",155809897,NA,"PDBC33886","760801","Present",NA,NA
+"33887","D-Allitol,4-dideoxy-1,4-imino",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Allitol, 1,4-dideoxy-1,4-imino",NA,"C1C(C(C(N1)C(CO)O)O)O.Cl","IFRNNJQXHHLGKS-MNWXWFOHSA-N",377334,NA,"PDBC33887","658772","Present",NA,NA
+"33888","D-Amygdalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC251222",NA,"C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O","XUCIJNAGGSZNQT-UHFFFAOYSA-N",2180,NA,"PDBC33888","251222","Present",NA,NA
+"33889","D-Arabinose, 5-O-trityl-tribenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"u-22265",NA,"C1=CC=C(C=C1)C(=O)OC(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(C(C=O)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","BBRNKMTYXKXVBD-UHFFFAOYSA-N",265952,NA,"PDBC33889","102810","Present",NA,NA
+"33890","D-Azaserine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758188",NA,"C(C(C(=O)O)N)OC(=O)C=[N+]=[N-]","MZZGOOYMKKIOOX-UHFFFAOYSA-N",830,NA,"PDBC33890","758188","Present",NA,NA
+"33891","D-ERYTHRO-L-TALO-OCTONIC ACID, .GAMMA.-LACTONE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-ERYTHRO-L-TALO-OCTONIC ACID, .GAMMA.-LACTONE",NA,"C(C(C(C(C1C(C(C(=O)O1)O)O)O)O)O)O","NUYDBDGECBIUPJ-UHFFFAOYSA-N",219893,NA,"PDBC33891","1684","Present",NA,NA
+"33892","D-Erythro-Hex-2-enonic acid, gamma-lactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"erycorbin",NA,"C(C(C1C(=C(C(=O)O1)O)O)O)O","CIWBSHSKHKDKBQ-UHFFFAOYSA-N",54676860,NA,"PDBC33892","8117","Present",NA,NA
+"33893","D-F5Phe-Glu-Trp-Ala-Val-Gly-His-Leu-OMe",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-F5Phe-Glu-Trp-Ala-Val-Gly-His-Leu-OMe",NA,"CC(C)CC(C(=O)OC)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=C(C(=C(C(=C4F)F)F)F)F)N","NPBTURXVEWXTKJ-UHFFFAOYSA-N",365719,NA,"PDBC33893","633659","Present",NA,NA
+"33894","D-Friedoolean-14-en-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taraxerone",NA,"CC1(CCC2(CC=C3C4(CCC5C(C(=O)CCC5(C4CCC3(C2C1)C)C)(C)C)C)C)C","DBCAVZSSFGIHQZ-KGSLAXPJSA-N",392170,NA,"PDBC33894","692217","Present",NA,NA
+"33895","D-Fructofuranosylamine, 1-deoxy-1-[(4-methylphenyl)amino]-N-(phenylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"d-fructose, 2-benzylideneamino-1,2-dideoxy-1-p-toluidino-",NA,"CC1=CC=C(C=C1)NCC2(C(C(C(O2)CO)O)O)N=CC3=CC=CC=C3","ZNMOICNZBWEVDS-SSDVNMTOSA-N",9561351,NA,"PDBC33895","47582","Present",NA,NA
+"33896","D-Galactose trimethylene dithioacetal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699025",NA,"C1CSC(SC1)C(C(C(C(CO)O)O)O)O","JDZPNIUYDWENDQ-VGRMVHKJSA-N",394924,NA,"PDBC33896","699025","Present",NA,NA
+"33897","D-Glucose, [4-[(4-chlorophenyl)methylene]-5-oxo-2-imidazolidinylidene]hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Glucose, [4-[(4-chlorophenyl)methylene]-5-oxo- 2-imida...",NA,"C1=CC(=CC=C1C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O)Cl","FBQZTHBJNAZPRM-OUDFIRDYSA-N",135505127,NA,"PDBC33897","685272","Present",NA,NA
+"33898","D-Mannaric acid, 1,4:3,6-dilactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Mannaric acid, 1,4:3,6-dilactone",NA,"C12C(C(C(=O)O1)O)OC(=O)C2O","QRFNDAVXJCGLFB-UHFFFAOYSA-N",137758,NA,"PDBC33898","133611","Present",NA,NA
+"33899","D-Mannitol,6-bis[bis(2-chloroethyl)amino]-1,6-dideoxy-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Mannitol, 1,6-bis[bis(2-chloroethyl)amino]-1,6-dideoxy...",NA,"C(CCl)N(CCCl)CC(C(C(C(CN(CCCl)CCCl)O)O)O)O.Cl","NUAOMEHHMOBQBH-UHFFFAOYSA-N",24186421,NA,"PDBC33899","50076","Present",NA,NA
+"33900","D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-ThrNH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Nal-Cys-Tyr-D-Trp-Lys-Val-Cys-ThrNH2",NA,"CC(C)C(C(=O)NC(CS)C(=O)NC(C(C)O)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CS)NC(=O)C(CC4=CC5=CC=CC=C5C=C4)N","UGVPPRZHXAMSJP-UHFFFAOYSA-N",365716,NA,"PDBC33900","633656","Present",NA,NA
+"33901","D-Phe-Ala-Tyr-D-Trp-Lys-Val-Ala-D-Nal NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Phe-Ala-Tyr-D-Trp-Lys-Val-Ala-D-Nal NH2",NA,"CC(C)C(C(=O)NC(C)C(=O)NC(CC1=CC2=CC=CC=C2C=C1)C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(C)NC(=O)C(CC6=CC=CC=C6)N","UBUDXEAGRDGVRC-UHFFFAOYSA-N",365718,NA,"PDBC33901","633658","Present",NA,NA
+"33902","D-Phe-Cpa-Tyr-D-Trp-Lys-Thr-Phe-Thr-NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Phe-Cpa-Tyr-D-Trp-Lys-Thr-Phe-Thr-NH2",NA,"CC(C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)Cl)NC(=O)C(CC6=CC=CC=C6)N)O","HZUFJLNYZNGZLC-UHFFFAOYSA-N",365721,NA,"PDBC33902","633662","Present",NA,NA
+"33903","D-Phe-Cys-Tyr-D-Trp-Lys-Ser-Cys-THr NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Phe-Cys-Tyr-D-Trp-Lys-Ser-Cys-THr NH2",NA,"CC(C(C(=O)N)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CS)NC(=O)C(CC4=CC=CC=C4)N)O","JNYXWLNXPFJNJX-UHFFFAOYSA-N",365717,NA,"PDBC33903","633657","Present",NA,NA
+"33904","D-Phe-Glu-Trp-Ala-Val-D-Ala-His-Leu-Leu-NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Phe-Glu-Trp-Ala-Val-D-Ala-His-Leu-Leu-NH2",NA,"CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CN=CN1)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=CC=C4)N","SRDPWPGQMNMUMI-UHFFFAOYSA-N",365720,NA,"PDBC33904","633660","Present",NA,NA
+"33905","D-Phe-Glu-Trp-Ala-Val-Gly-His-Leu-psiCH2NH-Cpa-NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Phe-Glu-Trp-Ala-Val-Gly-His-Leu-.psi.CH2NH-Cpa-NH2",NA,"CC(C)CC(CNC(CC1=CC=C(C=C1)Cl)C(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCC(=O)O)NC(=O)C(CC5=CC=CC=C5)N","AVMVLQSSGZZCQF-UHFFFAOYSA-N",365722,NA,"PDBC33905","633663","Present",NA,NA
+"33906","D-Valine,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,6,7,8,9,11a,12,13,14,14a-decahydro-13-hydroxy-6-methyl-4-oxo-1H-cyclopent[f]oxacyclotridecin-1-yl ester, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Valine, N,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,...",NA,"CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)OC(=O)C(C(C)C)N(C)C)O.Cl","KGJLAKCYINPKMC-PKOYAMDNSA-N",45028997,NA,"PDBC33906","745103","Present",NA,NA
+"33907","D-Xylo-5-hexulosonic acid, calcium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-XYLO-5-HEXULOSONIC ACID, CALCIUM SALT",NA,"C(C(=O)C(C(C(C(=O)O)O)O)O)O.[Ca+2]","TXCXKRTUTISVGF-UHFFFAOYSA-N",3083804,NA,"PDBC33907","1694","Present",NA,NA
+"33908","DA-08409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-08409",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC(=C(C(=C3)OC)OC)OC","YGWWRSBEIOZARC-UHFFFAOYSA-N",382846,NA,"PDBC33908","670676","Present",NA,NA
+"33909","DA-09193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-09193",NA,"CCOC(=O)C(=O)NC1=CC(=C(C=C1)Cl)C(F)(F)F","IWLMVDYPZUGUSQ-UHFFFAOYSA-N",361039,NA,"PDBC33909","623773","Present",NA,NA
+"33910","DA-29583",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-29583",NA,"C1CC(C2=CC=CC=C2C1=O)(CCC(=O)O)C(=O)O","VZMPBOYMHBGQPT-UHFFFAOYSA-N",226654,NA,"PDBC33910","17338","Present",NA,NA
+"33911","DA-34354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-34354",NA,"CCOC(=O)C1=C(N=C(S1)N)N2CCCC2","ZVFCCMMIGSISBT-UHFFFAOYSA-N",382960,NA,"PDBC33911","670864","Present",NA,NA
+"33912","DAB389 IL-6, first 386 amino acid residues of diptheria ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DAB389 IL-6, first 386 amino acid residues of diptheria ...",NA,NA,NA,NA,NA,"PDBC33912","695946","Present",NA,NA
+"33913","DAMPA Ethyl Ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DAMPA Ethyl Ester",NA,"CCOC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","BDYWKUSEZMEPPR-UHFFFAOYSA-N",393093,NA,"PDBC33913","694477","Present",NA,NA
+"33914","DAURICINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DAURICINE",NA,"CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC)OC","AQASRZOCERRGBL-UHFFFAOYSA-N",235244,NA,"PDBC33914","36413","Present",NA,NA
+"33915","DBF",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DBF",NA,NA,NA,NA,NA,"PDBC33915","785353","Present",NA,NA
+"33916","DCTBFMQJAPGSAT-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DCTBFMQJAPGSAT-UHFFFAOYSA-N",NA,"CCCNC1CC(OC1CO)N2C=C(C(=O)NC2=O)C","DCTBFMQJAPGSAT-UHFFFAOYSA-N",372771,NA,"PDBC33916","648391","Present",NA,NA
+"33917","DDP38003 trihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DDP-38003",NA,"CN1CCN(CC1)C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4CC4N","SSWIQIUOBLUKHT-VQTJNVASSA-N",86287623,NA,"PDBC33917","799644","Present",NA,NA
+"33918","DDUG diMS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ddug",NA,"CC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C(=NN=C(N)N)C.CS(=O)(=O)O","LBLNHPYIFITUDF-DSEBIUGSSA-N",54609908,NA,"PDBC33918","109555","Present",NA,NA
+"33919","DEA/NO: dimethylsulfonamide ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DEA/NO : dimethylsulfonamide ether",NA,"CCN(CC)[N+](=NOS(=O)(=O)N(C)C)[O-]","WZKAWOPTPOCWLC-YFHOEESVSA-N",9571405,NA,"PDBC33919","653052","Present",NA,NA
+"33920","DEA/NO: methoxymethyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DEA/NO : methoxymethyl ether",NA,"CCN(CC)[N+](=NOCOC)[O-]","MOBRKEKGWCQYHC-CLFYSBASSA-N",9571404,NA,"PDBC33920","653050","Present",NA,NA
+"33921","DEA/NO: vinyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DEA/NO : vinyl ether",NA,"CCN(CC)[N+](=NOC=C)[O-]","PXBXWWPIODQCHK-CLFYSBASSA-N",9571791,NA,"PDBC33921","653051","Present",NA,NA
+"33922","DEOXYGUANOSINE,2'-AMINO",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DEOXYGUANOSINE,2'-AMINO",NA,"C1=NC2=C(N1C3C(C(C(O3)CO)O)N)N=C(NC2=O)N","ROPTVRLUGSPXNH-UHFFFAOYSA-N",135462125,NA,"PDBC33922","241514","Present",NA,NA
+"33923","DGLHNVSVAYWFEH-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DGLHNVSVAYWFEH-UHFFFAOYSA-N",NA,"C1COC2(O1)CC3CC(C2C3)CO","DGLHNVSVAYWFEH-UHFFFAOYSA-N",361988,NA,"PDBC33923","625466","Present",NA,NA
+"33924","DGLWWXSXFWPANL-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DGLWWXSXFWPANL-UHFFFAOYSA-N",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCCN(CCCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C","DGLWWXSXFWPANL-UHFFFAOYSA-N",373797,NA,"PDBC33924","650759","Present",NA,NA
+"33925","DHL 2G12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DHL 2G12",NA,NA,NA,NA,NA,"PDBC33925","636215","Present",NA,NA
+"33926","DHL 3H12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DHL 3H12",NA,NA,NA,NA,NA,"PDBC33926","636216","Present",NA,NA
+"33927","DHL 4A8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DHL 4A8",NA,NA,NA,NA,NA,"PDBC33927","636217","Present",NA,NA
+"33928","DHL 5D10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DHL 5D10",NA,NA,NA,NA,NA,"PDBC33928","636218","Present",NA,NA
+"33929","DHL 5H12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DHL 5H12",NA,NA,NA,NA,NA,"PDBC33929","636214","Present",NA,NA
+"33930","DHL 6A9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DHL 6A9",NA,NA,NA,NA,NA,"PDBC33930","636219","Present",NA,NA
+"33931","DHL 6E4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DHL 6E4",NA,NA,NA,NA,NA,"PDBC33931","636221","Present",NA,NA
+"33932","DHL 6F3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DHL 6F3",NA,NA,NA,NA,NA,"PDBC33932","636220","Present",NA,NA
+"33933","DIABOLINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIABOLINE",NA,"CC(=O)N1C2C3C4CC5C2(CCN5CC4=CCOC3O)C6=CC=CC=C61","QSDMAJZSSDNJPO-UHFFFAOYSA-N",321983,NA,"PDBC33933","277458","Present",NA,NA
+"33934","DIASESARTEMIN-(+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIASESARTEMIN-(+)",NA,"COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC)OC","DHWUVPPRBIJJKS-ICSQLKGISA-N",342738,NA,"PDBC33934","380471","Present",NA,NA
+"33935","DIDEMNIN B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIDEMNIN B",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","KYHUYMLIVQFXRI-KJNZDXKESA-N",6711227,NA,"PDBC33935","325319","Present",NA,NA
+"33936","DIDEOXYGUANOSINE (DDG)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIDEOXYGUANOSINE (DDG)",NA,"C1CC(OC1CO)N2C=NC3=C2N=C(NC3=O)N","OCLZPNCLRLDXJC-UHFFFAOYSA-N",135406394,NA,"PDBC33936","619072","Present",NA,NA
+"33937","DIHFBNUDSJVTRQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIHFBNUDSJVTRQ-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=C(C=C3)S(=O)(=O)N","DIHFBNUDSJVTRQ-UHFFFAOYSA-N",367783,NA,"PDBC33937","637724","Present",NA,NA
+"33938","DIHYDROMORIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIHYDROMORIN",NA,"C1=CC(=C(C=C1O)O)C2C(C(=O)C3=C(C=C(C=C3O2)O)O)O","QIWOFDHUQPJCJF-UHFFFAOYSA-N",362637,NA,"PDBC33938","327431","Present",NA,NA
+"33939","DIQBKQWMTLZBOB-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIQBKQWMTLZBOB-UHFFFAOYSA-N",NA,"CC1=CC(=C(C(=C1)C)N2C(=C(C(=C2N)C#N)C)C)C","DIQBKQWMTLZBOB-UHFFFAOYSA-N",401908,NA,"PDBC33939","715592","Present",NA,NA
+"33940","DISCGWZVPNFZMX-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DISCGWZVPNFZMX-UHFFFAOYSA-N",NA,"CC1=CN2C(=O)C3=CC=CC=C3N=C2S1","DISCGWZVPNFZMX-UHFFFAOYSA-N",374052,NA,"PDBC33940","651248","Present",NA,NA
+"33941","DKLYJKHOELTXQL-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DKLYJKHOELTXQL-UHFFFAOYSA-N",NA,"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(C(=O)OCC)(C(F)(F)F)NC(=O)C4=CC(=CC=C4)Cl)F)C(=O)O","DKLYJKHOELTXQL-UHFFFAOYSA-N",384774,NA,"PDBC33941","675210","Present",NA,NA
+"33942","DL-2,5-Dihydrophenylalanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT 119",NA,"C1C=CCC(=C1)CC(C(=O)O)N","FSZMHEMPLAVBQZ-UHFFFAOYSA-N",204298,NA,"PDBC33942","140378","Present",NA,NA
+"33943","DL-2-Amino-7-[bis(2-chloroethyl) amino]-1,3,4-tetrahydro-2-naphthoic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DL-2-amino-7-[bis(2-chloroethyl) amino]-1,2,3,4-tetrahyd...",NA,"C1CC(CC2=C1C=CC(=C2)N(CCCl)CCCl)(C(=O)O)N.Cl","LOAXROWARKRDJB-UHFFFAOYSA-N",363388,NA,"PDBC33943","628279","Present",NA,NA
+"33944","DL-4-Oxalysine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-4-Oxalysine dihydrochloride///DL-4-Oxalysine dihydrochloride",NA,"C(COCC(C(=O)O)N)N.Cl","OVHJSRSTAWFIIF-UHFFFAOYSA-N",24192272,NA,"PDBC33944","136034///136035","Present",NA,NA
+"33945","DL-Cysteine, N-(2-thienylmethylene)-S-(triphenylmethyl)-, compd. with N-cyclohexylcyclohexanamine (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alanine, N-2-thenylidene-3-(tritylthio)-, compd. with di...",NA,"C1CCC(CC1)NC2CCCCC2.C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N=CC4=CC=CS4","NVWRBRLAFVILLU-UHFFFAOYSA-N",422867,NA,"PDBC33945","148290","Present",NA,NA
+"33946","DL-Ethionine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Ethionine",NA,"CCSCCC(C(=O)O)N","GGLZPLKKBSSKCX-UHFFFAOYSA-N",6205,NA,"PDBC33946","97927","Present",NA,NA
+"33947","DL-Histidinol Dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DL-Histidinol Dihydrochloride///L-HISTIDINOL",NA,"C1=C(NC=N1)CC(CO)N.Cl","IQIDPEXUQGHICQ-UHFFFAOYSA-N",356204,NA,"PDBC33947","611347///74518","Present",NA,NA
+"33948","DL-Leucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"leucine,(l)",NA,"CC(C)CC(C(=O)O)N","ROHFNLRQFUQHCH-UHFFFAOYSA-N",857,NA,"PDBC33948","46709","Present",NA,NA
+"33949","DL-Noformicin sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"noformicin",NA,"C1CC(=NC1C(=O)NCCC(=N)N)N.OS(=O)(=O)O","TWCFNAVYOVUGNH-UHFFFAOYSA-N",251918,NA,"PDBC33949","72942","Present",NA,NA
+"33950","DL-Ornithine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ornithine monohydrochloride",NA,"C(CC(C(=O)O)N)CN.Cl","GGTYBZJRPHEQDG-UHFFFAOYSA-N",71598,NA,"PDBC33950","118360","Present",NA,NA
+"33951","DL-Penicillamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Penicillamine",NA,"CC(C)(C(C(=O)O)N)S","VVNCNSJFMMFHPL-UHFFFAOYSA-N",4727,NA,"PDBC33951","241261","Present",NA,NA
+"33952","DL-Phenylalanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(.+-.)-phenylalanine",NA,"C1=CC=C(C=C1)CC(C(=O)O)N","COLNVLDHVKWLRT-UHFFFAOYSA-N",994,NA,"PDBC33952","9959","Present",NA,NA
+"33953","DL-Proline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DL-Proline",NA,"C1CC(NC1)C(=O)O","ONIBWKKTOPOVIA-UHFFFAOYSA-N",614,NA,"PDBC33953","97923","Present",NA,NA
+"33954","DL-Tryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"l-trp",NA,"C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N","QIVBCDIJIAJPQS-UHFFFAOYSA-N",1148,NA,"PDBC33954","13119","Present",NA,NA
+"33955","DLMZIQPDKSYCNA-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DLMZIQPDKSYCNA-UHFFFAOYSA-N",NA,"CN(C)CCCN(C1=NC(=NS1)C(Cl)(Cl)Cl)C2=NC(=NS2)C(Cl)(Cl)Cl","DLMZIQPDKSYCNA-UHFFFAOYSA-N",328130,NA,"PDBC33955","305765","Present",NA,NA
+"33956","DMAPT fumarate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DMAPT",NA,"CC1=CCCC2(C(O2)C3C(CC1)C(C(=O)O3)CN(C)C)C.C(=CC(=O)O)C(=O)O","MRLIRFYFSXOGIO-GMRGYKKQSA-N",24205116,NA,"PDBC33956","734325","Present",NA,NA
+"33957","DNDI1388178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DNDI1388178",NA,"CC1CC(=NC2CCCCC2)NC3=CC=CC=C3N1CC4=CC=CC=C4","GYUWWNGCFSDGRK-UHFFFAOYSA-N",135426651,NA,"PDBC33957","705840","Present",NA,NA
+"33958","DNDI1417002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DNDI1417002",NA,"C1=CC=C(C=C1)C2=C(C(=NC3=NNC(=C23)N)N)C#N","CLVVBNMTYMKNAP-UHFFFAOYSA-N",395921,NA,"PDBC33958","701016","Present",NA,NA
+"33959","DNDI1417469",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DNDI1417469",NA,"C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CNC4=CC=CC=C43)N","PBMMBJGJRQANOI-UHFFFAOYSA-N",399015,NA,"PDBC33959","709436","Present",NA,NA
+"33960","DNTOUPQUQYDGOQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DNTOUPQUQYDGOQ-UHFFFAOYSA-N",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N=C3N5CCNCC5","DNTOUPQUQYDGOQ-UHFFFAOYSA-N",24205986,NA,"PDBC33960","737606","Present",NA,NA
+"33961","DNZGBFXOVKCJMO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DNZGBFXOVKCJMO-UHFFFAOYSA-N",NA,"CC1C(=CC2=C(O1)C=C(C=C2)OC(=O)C)C3=CC=C(C=C3)OC(=O)C","DNZGBFXOVKCJMO-UHFFFAOYSA-N",262088,NA,"PDBC33961","95381","Present",NA,NA
+"33962","DP1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DP1",NA,NA,NA,NA,NA,"PDBC33962","750285","Present",NA,NA
+"33963","DPP-Gly-Ala-Phe-OBzl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DPP-Gly-Ala-Phe-OBzl",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CNP(=O)(C3=CC=CC=C3)C4=CC=CC=C4","DPBBAFCXOXMQBB-UHFFFAOYSA-N",386868,NA,"PDBC33963","679682","Present",NA,NA
+"33964","DRB",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-dichloro-1-?-D-ribofuranosylbenzimidazole",NA,NA,"C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C3C(C(C(O3)CO)O)O","XHSQDZXAVJRBMX-DDHJBXDOSA-N",5894,NA,"PDBC33964",NA,"Absent",NA,NA
+"33965","DRSIAJAPNRFDKR-AATRIKPKSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DRSIAJAPNRFDKR-AATRIKPKSA-N",NA,"COC1=CC(=C(C=C1)OC)C=CNC=O","DRSIAJAPNRFDKR-AATRIKPKSA-N",5879215,NA,"PDBC33965","610186","Present",NA,NA
+"33966","DSSTox_GSID_45900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mepartricin (usan)",NA,"CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)OC)OC4C(C(C(C(O4)C)O)N)O","GVEVTKSEPQUIJA-FCUPBDNZSA-N",9941647,NA,"PDBC33966","760091","Present",NA,NA
+"33967","DWGAZJCGYUTYHE-UHFFFAOYSA-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DWGAZJCGYUTYHE-UHFFFAOYSA-",NA,"CCN1C2=C(C=CC(=C2)O)C3=C(C1=O)C4=C(O3)C=CC(=C4)O","DWGAZJCGYUTYHE-UHFFFAOYSA-N",5465651,NA,"PDBC33967","658210","Present",NA,NA
+"33968","DWP18R484E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DWP18R484E",NA,"CC1=NC(N(C1(C)C)O)(C)C","VXXZDYKJAPNRPX-UHFFFAOYSA-N",379370,NA,"PDBC33968","663914","Present",NA,NA
+"33969","DWWNSYZALARLDF-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DWWNSYZALARLDF-UHFFFAOYSA-N",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(=C(O2)N)C#N)(C#N)C#N","DWWNSYZALARLDF-UHFFFAOYSA-N",387793,NA,"PDBC33969","681865","Present",NA,NA
+"33970","DXDCVORKZNEAQQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DXDCVORKZNEAQQ-UHFFFAOYSA-N",NA,"COC1=CC(=CC(=C1O)O)CSC2=CC=C(C=C2)O","DXDCVORKZNEAQQ-UHFFFAOYSA-N",384138,NA,"PDBC33970","673425","Present",NA,NA
+"33971","Dactinomycin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC3053",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C","RJURFGZVJUQBHK-GIUPLMLQSA-N",44415057,NA,"PDBC33971","3053","Present",NA,NA
+"33972","Daniquidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Batracylin",NA,"C1C2=C(C=CC(=C2)N)N=C3N1C(=O)C4=CC=CC=C43","SRIOCKJKFXAKHK-UHFFFAOYSA-N",71750,NA,"PDBC33972","320846","Present",NA,NA
+"33973","Dansylethylenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sjl 620",NA,"CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCN","CSJXLKVNKAXFSI-UHFFFAOYSA-N",161851,NA,"PDBC33973","666752","Present",NA,NA
+"33974","Danthron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Danthron",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3O","QBPFLULOKWLNNW-UHFFFAOYSA-N",2950,NA,"PDBC33974","7210","Present",NA,NA
+"33975","Daphnetin diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Daphnetin diacetate",NA,"CC(=O)OC1=C(C2=C(C=C1)C=CC(=O)O2)OC(=O)C","PXWILQNNCIKVND-UHFFFAOYSA-N",327277,NA,"PDBC33975","301683","Present",NA,NA
+"33976","Darolutamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Darolutamide",NA,"CC(CN1C=CC(=N1)C2=CC(=C(C=C2)C#N)Cl)NC(=O)C3=NNC(=C3)C(C)O","BLIJXOOIHRSQRB-PXYINDEMSA-N",67171867,NA,"PDBC33976","825331","Present",NA,NA
+"33977","Datiscoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"datiscoside",NA,"CC1C(C(=O)C(C(O1)OC2CC3(C4CC=C5C(C4(C(=O)CC3(C2C(C)(C(=O)C=CC(C)(C)O)O)C)C)CC(C(=O)C5(C)C)O)C)OC(=O)C)O","RRPAPBCRZGEXTR-NQSVWVJWSA-N",5382554,NA,"PDBC33977","144153","Present",NA,NA
+"33978","Daturalactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Daturalactone",NA,"CC(C1CCC2C1(C(CC3C2C4C(O4)C5(C3(C(=O)C=CC5)C)O)O)C)C6CC7(C(O7)(C(=O)O6)C)C","UZLXIIADBIXQHY-MDHGPUMZSA-N",323594,NA,"PDBC33978","285115","Present",NA,NA
+"33979","Daturaolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Daturaolone",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CC(C5C4(CCC(=O)C5(C)C)C)O)C)C2C1)C)C)C","YCTXVPCDHZMBHX-QCDSSADQSA-N",122859,NA,"PDBC33979","705537","Present",NA,NA
+"33980","Daunomycin, monohydrochloride, sesquihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"daunorubicin oxime hydrochloride",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NO)C)O)N)O.Cl","CDUCTRPPOAFSES-SHGUKGLYSA-N",54606703,NA,"PDBC33980","143491","Present",NA,NA
+"33981","Daunorubicin aglycone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"daunomycinon",NA,"CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O)O","YOFDHOWPGULAQF-UHFFFAOYSA-N",419026,NA,"PDBC33981","109351","Present",NA,NA
+"33982","Ddah-PL-II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DDAH-PL-II",NA,"CCC1CC(C(C=CC=CCC(OC(=O)CC(C(C1OC2C(C(CC(O2)C)(C(=O)C)O)O)OC)O)C)O)C","IZFPDEQYDFAJRK-CDKJVOIVSA-N",5385029,NA,"PDBC33982","375095","Present",NA,NA
+"33983","Deae-F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deae-f",NA,"CCN(CC)CCOC1=CC2=C(C=C1)C3=C(C2=O)C=C(C=C3)OCCN(CC)CC.Cl","IRHBANNTGULQJF-UHFFFAOYSA-N",9868219,NA,"PDBC33983","143969","Present",NA,NA
+"33984","Dearivative benzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dearivative benzothiazepine",NA,"C1=CC=C2C(=C1)C3=NC4=C(C(=N)N5C6=C(C=C(C=C6)Cl)SC5=N4)C(=N)N3C7=CC=CC=C7S2","TYXCGODKJHSZNK-UHFFFAOYSA-N",60148128,NA,"PDBC33984","753681","Present",NA,NA
+"33985","DeazaUrd",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-DEAZAURIDINE",NA,"C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O","WIRVQQCUKDPURA-UHFFFAOYSA-N",277822,NA,"PDBC33985","126849","Present",NA,NA
+"33986","Debio 0932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CUDC-305",NA,"CC(C)(C)CNCCN1C2=C(C(=NC=C2)N)N=C1SC3=CC4=C(C=C3N(C)C)OCO4","RVJIQAYFTOPTKK-UHFFFAOYSA-N",44156921,NA,"PDBC33986","761194","Present",NA,NA
+"33987","Debio-1347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CH-5183284",NA,"CC1=NC2=C(N1)C=C(C=C2)N3C(=C(C=N3)C(=O)C4=CC5=CC=CC=C5N4)N","BEMNJULZEQTDJY-UHFFFAOYSA-N",66555680,NA,"PDBC33987","782363","Present",NA,NA
+"33988","Deca-Copper(II)chloride-taxol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Deca-Copper(II)chloride-taxol",NA,NA,NA,NA,NA,"PDBC33988","788689","Present",NA,NA
+"33989","Deca-N-(S)-1-phenyl ethyl b-Ala",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deca-n-(s)-1-phenyl ethyl b-ala",NA,"CC(C1=CC=CC=C1)NCCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)O)C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3)C(C)C4=CC=CC=C4)C(C)C5=CC=CC=C5)C(C)C6=CC=CC=C6)C(C)C7=CC=CC=C7)C(C)C8=CC=CC=C8)C(C)C9=CC=CC=C9)C(C)C1=CC=CC=C1","OLZOJRBMXAIVKQ-XEDZSBAESA-N",45028382,NA,"PDBC33989","742384","Present",NA,NA
+"33990","Decafluorobenzophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"perfluorobenzophenone",NA,"C1(=C(C(=C(C(=C1F)F)F)F)F)C(=O)C2=C(C(=C(C(=C2F)F)F)F)F","WWQLXRAKBJVNCC-UHFFFAOYSA-N",70068,NA,"PDBC33990","96914","Present",NA,NA
+"33991","Decanediamide,N'-bis(4-amino-2-methyl-6-quinolyl)-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Decanediamide, N,N'-bis(4-amino-2-methyl-6-quinolyl)-, d...",NA,"CC1=CC(=C2C=C(C=CC2=N1)NC(=O)CCCCCCCCC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N.Cl","PWGBDCZAAMBEBQ-UHFFFAOYSA-N",24181871,NA,"PDBC33991","12150","Present",NA,NA
+"33992","Decanediimidamide, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Decanediimidamide, monohydrochloride",NA,"C(CCCCC(=N)N)CCCC(=N)N.Cl","LMBZJGBFQYMSAI-UHFFFAOYSA-N",21144633,NA,"PDBC33992","237343","Present",NA,NA
+"33993","Decanoic acid 2-(hydroxymethyl)-4-(4-methyl-3-isopropylpentylidene)-5-oxotetrahydrofuran-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl decanoate",NA,"CCCCCCCCCC(=O)OCC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO","PKDPPGRNXLDXPE-STZFKDTASA-N",5470619,NA,"PDBC33993","703746","Present",NA,NA
+"33994","Decanoic acid-decyl carbamimidothioate(1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudourea, 2-decyl-2-thio-, decanoate",NA,"CCCCCCCCCCSC(=N)N.CCCCCCCCCC(=O)O","WQDZHWFFLIPTQA-UHFFFAOYSA-N",232753,NA,"PDBC33994","30649","Present",NA,NA
+"33995","Decarboxy nimbic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DECARBOXY NIMBIC ACID",NA,"CC1=CCC(=O)C2(C1C(C3C(C2CC(=O)O)(C4=C(C(CC4O3)C5=COC=C5)C)C)O)C.[Na+]","HKAXPFKZOORAIU-JKLJDHMNSA-N",54601830,NA,"PDBC33995","92190","Present",NA,NA
+"33996","Dechlorinated rebeccamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dechlorinated rebeccamycin",NA,"COC1C(OC(C(C1O)O)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O)CO","JNMXCWUKDUQJFF-UHFFFAOYSA-N",24203043,NA,"PDBC33996","726576","Present",NA,NA
+"33997","Decipidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"decipidone",NA,"CCCC(=O)OC1C2C(C(CC2(C(=O)C(C3C1(C(C=CC3C(=C)C)OC(=O)C)COC(=O)C)(C)OC(=O)C)O)C)OC(=O)C","JZYOERCCXIXEQU-NSFXRBBVSA-N",398943,NA,"PDBC33997","709311","Present",NA,NA
+"33998","Decyl 1-methylpyridin-1-ium-4-carboxylate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625460",NA,"CCCCCCCCCCOC(=O)C1=CC=[N+](C=C1)C.[I-]","HNKDAPWXMDJWJJ-UHFFFAOYSA-M",361980,NA,"PDBC33998","625460","Present",NA,NA
+"33999","Decyl propylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Decyl propylcarbamate",NA,"CCCCCCCCCCOC(=O)NCCC","DUDFKUCDLHRTOQ-UHFFFAOYSA-N",362879,NA,"PDBC33999","627351","Present",NA,NA
+"34000","Decylthiuronium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"decylthiuronium chloride",NA,"CCCCCCCCCCSC(=N)N.Cl","DAUFZRZYGIFXSJ-UHFFFAOYSA-N",79356,NA,"PDBC34000","3274","Present",NA,NA
+"34001","Decyltrimethylammonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"decyltrimethylammonium bromide",NA,"CCCCCCCCCC[N+](C)(C)C.[Br-]","PLMFYJJFUUUCRZ-UHFFFAOYSA-M",16388,NA,"PDBC34001","9951","Present",NA,NA
+"34002","Dedihydromitomycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"t 53",NA,"CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3=C2COC(=O)N)N4C)OC","FSJQMPDKDHPEJH-UHFFFAOYSA-N",27590,NA,"PDBC34002","123111","Present",NA,NA
+"34003","Deferoxamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Deferoxamine Hydrochloride",NA,"CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN)O)O)O.Cl","KCRQZLMAZHZDCL-UHFFFAOYSA-N",62880,NA,"PDBC34003","268993","Present",NA,NA
+"34004","Dehydro iso-.alpha.-lapachone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dehydro iso-.alpha.-lapachone",NA,"CC(=C)C1CC2=C(O1)C(=O)C3=CC=CC=C3C2=O","ZDMOREUAQLXRCQ-UHFFFAOYSA-N",364109,NA,"PDBC34004","629754","Present",NA,NA
+"34005","Dehydrobrachylaenolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dehydrobrachylaenolide",NA,"CC12CCC3C(C1C(=C)C(=O)C=C2)OC(=O)C3=C","GYBDKJQMRUKMGE-QJZXMWHDSA-N",404548,NA,"PDBC34005","720795","Present",NA,NA
+"34006","Dehydrodidemnin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dehydrodidemnin B",NA,NA,NA,NA,NA,"PDBC34006","638719","Present",NA,NA
+"34007","Dehydroemetine (+-)-form dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"emetine, dehydro-",NA,"CCC1=C(CC2C3=CC(=C(C=C3CCN2C1)OC)OC)CC4C5=CC(=C(C=C5CCN4)OC)OC.Cl","DHRVPMDKONQKAP-KGQXAQPSSA-N",3084192,NA,"PDBC34007","129414","Present",NA,NA
+"34008","Dehydroepiandrosterone mustard",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dehydroepiandrosterone mustard",NA,"CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C","XMEZZNCIZQQXCV-AXOMYGEFSA-N",198019,NA,"PDBC34008","121210","Present",NA,NA
+"34009","Dehydrofarinosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Encelin",NA,"CC12CC3C(CC1C(=C)C(=O)C=C2)C(=C)C(=O)O3","LXMUZMFQJGRVFW-UHFFFAOYSA-N",329302,NA,"PDBC34009","311053","Present",NA,NA
+"34010","Dehydroglaucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dehydroglaucine",NA,"CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC","RZUHGAKUNBFQJS-UHFFFAOYSA-N",398788,NA,"PDBC34010","708924","Present",NA,NA
+"34011","Dehydroheliotridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dehydroheliotridine",NA,"C1CN2C=CC(=C2C1O)CO","QFPRRXUPCPFWKD-ZETCQYMHSA-N",272106,NA,"PDBC34011","116336","Present",NA,NA
+"34012","Dehydroilludin M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dehydroilludin M",NA,"CC1=C2C(=CC(C2=O)(C)C)C(=O)C(C13CC3)(C)O","PFURRCFDDZMGLA-AWEZNQCLSA-N",362430,NA,"PDBC34012","626371","Present",NA,NA
+"34013","Dehydrosolasodine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dehydrosolasodine",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC=C6)C)C)C)NC1","OYNIUJOJEWHJPN-XZPQRGLFSA-N",368988,NA,"PDBC34013","640469","Present",NA,NA
+"34014","Dehydrospongistatin 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dehydrospongistatin 2",NA,"CC1C=CC2(C(C3C(C(C(C(O3)CC(=C)CC(C=CC=C)O)O)OC(=O)CC4CC(CC5(O4)CC(CC(O5)CC(=C)C(C(C(C(=O)CC6CC(CC7(O6)CC(CC(O7)C=CCCCC1O2)O)OC)C)OC(=O)C)C)(C)O)OC(=O)C)C)O)O","CBSUYSJPVZOMOZ-LTEJQQKOSA-N",24202926,NA,"PDBC34014","726291","Present",NA,NA
+"34015","Dehydrostepholidine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dehydrostepholidine chloride",NA,"COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)O)OC.[Cl-]","CUUPIALXJLKAFN-UHFFFAOYSA-N",363208,NA,"PDBC34015","627882","Present",NA,NA
+"34016","Dehydrotamandarin-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dehydrotamandarin-A",NA,"CCC(C)C1C(CC(=O)OC(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C(C)C)O","CRMQSDHAUJOQIE-MRIHCXOKSA-N",401172,NA,"PDBC34016","714370","Present",NA,NA
+"34017","Delmarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Delmarine",NA,"CC1(CCN2C=NC3=C2C(=NC=N3)N1O)C=CC4=CC=C(C=C4)C5=CC=CC=C5","RATAUKJBOPUJRD-VAWYXSNFSA-N",101904648,NA,"PDBC34017","796304","Present",NA,NA
+"34018","Delphinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"delphinine",NA,"CC(=O)OC12CC(C3(CC(C1C3OC(=O)C4=CC=CC=C4)C56C(CCC7(C5C(C2C6N(C7)C)OC)COC)OC)O)OC","REVYTWNGZDPRKE-UHFFFAOYSA-N",97909,NA,"PDBC34018","56463","Present",NA,NA
+"34019","Delsine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"roylin",NA,"CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)CO","YOTUXHIWBVZAJQ-UHFFFAOYSA-N",99924,NA,"PDBC34019","268791","Present",NA,NA
+"34020","Deltarasin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Deltarasin",NA,"C1CNCCC1C(COC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3CC5=CC=CC=C5)N6C7=CC=CC=C7N=C6C8=CC=CC=C8","LTZKEDSUXKTTTC-KXQOOQHDSA-N",73292904,NA,"PDBC34020","779408","Present",NA,NA
+"34021","Demethylnobiletin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Demethylnobiletin",NA,"COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC","DOFJNFPSMUCECH-UHFFFAOYSA-N",358832,NA,"PDBC34021","618927","Present",NA,NA
+"34022","Demethyltylophorinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Demethyltylophorinine",NA,"COC1=C(C=C2C(=C1)C3=C(C(C4CCCN4C3)O)C5=C2C=C(C=C5)O)OC","SBVBOLGVLBCFIL-AVRDEDQJSA-N",261792,NA,"PDBC34022","94739","Present",NA,NA
+"34023","Denileukin Diftitox Ontak",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Denileukin Diftitox Ontak",NA,NA,NA,NA,NA,"PDBC34023","697979","Present",NA,NA
+"34024","Denitro-KT-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Denitro-KT-1",NA,"COC1=C(C(=C2C(=C1)C(=NC=N2)NCCCCCO)OC)OC","SSDALMNYCZFGTO-UHFFFAOYSA-N",100554,NA,"PDBC34024","319012","Present",NA,NA
+"34025","Deoxyartemisitene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deoxyartemisitene",NA,"CC1CCC2C(=C)C(=O)OC3C24C1CCC(O3)(O4)C","DUQONUJDFSRMQE-KPHNHPKPSA-N",6712468,NA,"PDBC34025","690035","Present",NA,NA
+"34026","Deoxyaspergillic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aspergillic acid, deoxy-",NA,"CCC(C)C1=CN=C(C(=O)N1)CC(C)C","NQUCTITVLHEDIU-UHFFFAOYSA-N",278142,NA,"PDBC34026","127441","Present",NA,NA
+"34027","Deoxybouvardin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deoxyBouvardin",NA,"CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)C)C)CC5=CC=C(C=C5)OC)C)C","VXVGFMUNENQGFW-UHFFFAOYSA-N",429599,NA,"PDBC34027","259969","Present",NA,NA
+"34028","Deoxycalyciphylline B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Deoxycalciphylline B",NA,"CC1CN2C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C","NGQSEZXJVMCXSC-AJXLCOHYSA-N",10871573,NA,"PDBC34028","787222","Present",NA,NA
+"34029","Deoxycamptothecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Deoxycamptothecin",NA,"CCC1C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2","PEZXVOHRDBYBFR-UHFFFAOYSA-N",266552,NA,"PDBC34029","105132","Present",NA,NA
+"34030","Deoxycholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"degalol",NA,"CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C","KXGVEGMKQFWNSR-LLQZFEROSA-N",222528,NA,"PDBC34030","8797","Present",NA,NA
+"34031","Deoxydihydroleontalbinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Matridine///Allomatridine",NA,"C1CCN2CC3CCCN4C3C(C2C1)CCC4","UENROKUHQFYYJA-UHFFFAOYSA-N",285697,NA,"PDBC34031","143085///143086","Present",NA,NA
+"34032","Deoxyelaphantopin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DEOXYELEPHANTOPIN",NA,"CC1=CC2C(C(CC3=CC(C1)OC3=O)OC(=O)C(=C)C)C(=C)C(=O)O2","JMUOPRSXUVOHFE-OCWKYTTHSA-N",5358527,NA,"PDBC34032","259726","Present",NA,NA
+"34033","Deoxynyboquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[3,2-g]quinoline-2,5,8,10(1H,9H)-tetrone, 1,4,6-tr...",NA,"CC1=CC(=O)NC2=C1C(=O)C3=C(C2=O)N(C(=O)C=C3C)C","KJYPAIRTXRKKHG-UHFFFAOYSA-N",295934,NA,"PDBC34033","165572","Present",NA,NA
+"34034","Deoxypodophyllotoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"anthricin",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O","ZGLXUQQMLLIKAN-SVIJTADQSA-N",345501,NA,"PDBC34034","403148","Present",NA,NA
+"34035","Deoxytifructin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Deoxytifructin",NA,"CC=C(C)C(=O)OC1CC(C=CC(C(=CC2C1C(=C)C(=O)O2)C)O)(C)O","QUQPZVOBOIBITF-CYQSNCAPSA-N",5908434,NA,"PDBC34035","329692","Present",NA,NA
+"34036","Deplancheine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Deplancheine",NA,"CC=C1CCC2C3=C(CCN2C1)C4=CC=CC=C4N3","GVGJKCCVRKFWAF-SWGQDTFXSA-N",5386990,NA,"PDBC34036","619164","Present",NA,NA
+"34037","Dequadin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sorot",NA,"CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-]","IHLKQCODTQXANL-UHFFFAOYSA-O",5351247,NA,"PDBC34037","166454","Present",NA,NA
+"34038","Derazantinib Racemate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARQ-087///ARQ-087_Peak 2",NA,"COCCNCCC1=CC(=CC=C1)NC2=NC=C3CC(C4=CC=CC=C4C3=N2)C5=CC=CC=C5F","KPJDVVCDVBFRMU-UHFFFAOYSA-N",67541698,NA,"PDBC34038","792996///792997","Present",NA,NA
+"34039","Derivative of Dibenzothiazepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Derivative of Dibenzothiazepine",NA,"COC1=CC=C(C=C1)NC2=C(C(=O)N(N2)C3=NC4=CC=CC=C4SC5=CC=CC=C53)C#N","VBPVQWCGARUBKN-UHFFFAOYSA-N",60147696,NA,"PDBC34039","752245","Present",NA,NA
+"34040","Dermazin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dermazin",NA,"C1=CN=C(N=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)N.[Ag+]","UEJSSZHHYBHCEL-UHFFFAOYSA-N",5459124,NA,"PDBC34040","625324","Present",NA,NA
+"34041","Dermocanarin-4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dermocanarin-4",NA,"CC1(CC2=CC3=C(C(=O)C=C(C3=O)OC)C(=C2C4=C(C5=C(C6=C(CC(CC6=O)(C)O)C=C5C=C4OC)O)OC(=O)C1)O)O","FODICJOAXWMHEC-UHFFFAOYSA-N",373887,NA,"PDBC34041","650882","Present",NA,NA
+"34042","Dermocybin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dermocylin",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=C(C(=C3O)O)OC)O","WZDHOIZUFUBGHK-UHFFFAOYSA-N",72742,NA,"PDBC34042","257450","Present",NA,NA
+"34043","Des-fluoro-TAK-960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Des-fluoro-TAK-960",NA,"CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC","DJNZZLZKAXGMMC-UHFFFAOYSA-N",25015677,NA,"PDBC34043","762154","Present",NA,NA
+"34044","Desacetylcolchicine d-tartrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tmca",NA,"COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N.C(C(C(=O)O)O)(C(=O)O)O","JLRWNBXMQCGSEJ-APBURCQWSA-N",84053,NA,"PDBC34044","36354","Present",NA,NA
+"34045","Desaminoactinomycin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-hydroxy-2-deaminoactinomycin c",NA,"CCC(C)C1C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=O)C(=C5N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)CC)C)C)C(C)C)C)C)C)C(C)C)C)C","ZEMWHSHZXZVIBG-UHFFFAOYSA-N",428404,NA,"PDBC34045","237106","Present",NA,NA
+"34046","Desglucocheirotoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"korglykon",NA,"CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O)O","HULMNSIAKWANQO-UHFFFAOYSA-N",2862,NA,"PDBC34046","407808","Present",NA,NA
+"34047","Desglucocyclamin 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Desglucocyclamin 1",NA,"CC1(C2CCC3(C(C2(CCC1OC4C(C(C(CO4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(CO6)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)CCC89C3(CC(C1(C8CC(CC1)(C)C=O)CO9)O)C)C)C","JXTOWLUQSHIIDP-VLACWOJQSA-N",155814289,NA,"PDBC34047","799729","Present",NA,NA
+"34048","Desmethoxy-B-peltatin-A methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"desmethoxy-b-peltatin-a methyl ether",NA,"COC1=C(C=C(C=C1)C2C3C(CC4=C(C5=C(C=C24)OCO5)OC)OCC3=O)OC","XPWTYDWZZDAXDF-UHFFFAOYSA-N",420763,NA,"PDBC34048","126727","Present",NA,NA
+"34049","Desmethoxycentaureidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Desmethoxycentaureidin",NA,"COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)O","VCWFILUULGOFCD-UHFFFAOYSA-N",5469524,NA,"PDBC34049","689466","Present",NA,NA
+"34050","Desmethylbrefeldin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Desmethylbrefeldin A",NA,"C1CCOC(=O)C=CC(C2CC(CC2C=CC1)O)O","PDQKHANYIFONPI-BHTHFWORSA-N",45029415,NA,"PDBC34050","746708","Present",NA,NA
+"34051","Desmosflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-7-methoxy-6,8-dimethylflavon",NA,"CC1=C(C2=C(C(=C1OC)C)OC(=CC2=O)C3=CC=CC=C3)O","PQZXFPBMXPGZMO-UHFFFAOYSA-N",369598,NA,"PDBC34051","641479","Present",NA,NA
+"34052","Desoxyerbstatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Desoxyerbstatin",NA,"C1=CC=C(C(=C1)C=CNC=O)O","WVTQKUWNFOBATC-AATRIKPKSA-N",5386499,NA,"PDBC34052","612765","Present",NA,NA
+"34053","Desoxyhemigossypol-6-methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Desoxyhemigossypol-6-methyl ether",NA,"CC1=CC2=C3C(=C(C(=C2C(C)C)OC)O)COC3=C1","ZMCDJIAUWJBTEN-UHFFFAOYSA-N",373913,NA,"PDBC34053","650938","Present",NA,NA
+"34054","Destruxin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC361126",NA,"CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC=C)C)C)C(C)C)C","XIYSEKITPHTMJT-UHFFFAOYSA-N",122810,NA,"PDBC34054","361126","Present",NA,NA
+"34055","Destruxin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"destruxin b",NA,"CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)C)C","GNBHVMBELHWUIF-UHFFFAOYSA-N",428373,NA,"PDBC34055","236580","Present",NA,NA
+"34056","Destruxin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Destruxin E",NA,"CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC3CO3)C)C)C(C)C)C","NIAYGGCQOYIHAF-UHFFFAOYSA-N",107863,NA,"PDBC34056","361127","Present",NA,NA
+"34057","Deucravacitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-986165",NA,"CNC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4","BZZKEPGENYLQSC-FIBGUPNXSA-N",134821691,NA,"PDBC34057","825520","Present",NA,NA
+"34058","Dexamethasone Sodium Phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dexamethasone Sodium Phosphate",NA,"CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)([O-])[O-])O)C)O)F)C","VQODGRNSFPNSQE-UHFFFAOYSA-L",3006,NA,"PDBC34058","803074","Present",NA,NA
+"34059","Dexverapamil Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R-Verapamil Hydrochloride from Knoll Pharma.",NA,"CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl","DOQPXTMNIUCOSY-HZPIKELBSA-N",170014,NA,"PDBC34059","632821","Present",NA,NA
+"34060","Dezaguanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dezaguanine",NA,"C1=C(NC(=O)C2=C1NC=N2)N","KXBCLNRMQPRVTP-UHFFFAOYSA-N",55710,NA,"PDBC34060","261726","Present",NA,NA
+"34061","Dhac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIHYDRO-5-AZACYTIDINE",NA,"C1N=C(NC(=O)N1C2C(C(C(O2)CO)O)O)N.Cl","MRFRLYAOBSTHHU-UHFFFAOYSA-N",5351280,NA,"PDBC34061","264880","Present",NA,NA
+"34062","Di(cis-diammine)bis(alpha,4'-stilben-dioldiphosphato)diplatinum(II)dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di(cis-diammine)bis(.alpha.,.alpha.'-diethyl-4,4'-stilbe...",NA,"CCC(=C(CC)C1=CC=C(C=C1)OP(=O)([O-])[O-])C2=CC=C(C=C2)OP(=O)([O-])[O-].N.N.N.N.[Pt+4].[Pt+4]","PLEHQSADJZKQHM-DWWNVGOYSA-J",54608093,NA,"PDBC34062","634047","Present",NA,NA
+"34063","Di(tert-butyl) 2-((2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-methylbutanoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di(tert-butyl) 2-((2-(((9H-fluoren-9-ylmethoxy)carbonyl)amino)-3-methylbutanoyl)amino)pentanedioate",NA,"CC(C)C(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13","DMYYOGXNFYMOMY-UHFFFAOYSA-N",382352,NA,"PDBC34063","669821","Present",NA,NA
+"34064","Di-(1,6-dihydro-4H-cyclopenta[c]thien-6-yl) amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di-(1,3-dibromo-4-oxo-5,6-dihydro-4H-cyclopenta[c]thien-...",NA,"C1C(C2=C(SC(=C2C1=O)Br)Br)NC3CC(=O)C4=C(SC(=C34)Br)Br","RSNDTYCGNHCIDZ-UHFFFAOYSA-N",400223,NA,"PDBC34064","711741","Present",NA,NA
+"34065","Di-(8-methylstearoyl)phosphatidylcholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dspc-8M",NA,"CCCCCCCCCCC(C)CCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC(C)CCCCCCCCCC","CJASOXBQLCLECD-UHFFFAOYSA-N",196707,NA,"PDBC34065","625435","Present",NA,NA
+"34066","Di-cysteinil-diamino Pt-complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di-cysteinil-diamino Pt-complex",NA,"C(C(C(=O)[O-])N)S.C(C(C(=O)[O-])N)S.N.N.[Pt+4]","YBIJCMJWUOLEOQ-UHFFFAOYSA-L",24202418,NA,"PDBC34066","650946","Present",NA,NA
+"34067","Di-n-butyltin bis(3-amino-4-methylbenzoate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-28225",NA,"CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1)C)N)OC(=O)C2=CC(=C(C=C2)C)N","BOBXEBITHZKWLW-UHFFFAOYSA-L",16683189,NA,"PDBC34067","643845","Present",NA,NA
+"34068","Di-n-octyl-secalonsaure A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di-n-octyl-secalonsaure A",NA,"CCCCCCCCOC(=O)C12C(C(CC(=O)C1=C(C3=C(O2)C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OCCCCCCCC)O)O)C)O","XGOCLYVULCACOE-UHFFFAOYSA-N",430141,NA,"PDBC34068","268925","Present",NA,NA
+"34069","Di-o-methylthujaplicatin methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di-o-methylthujaplicatin methyl ether",NA,"COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C(=C3)OC)OC)OC)OC","QFFURUDOUPSWTF-DLBZAZTESA-N",384878,NA,"PDBC34069","675474","Present",NA,NA
+"34070","Di-p-tolyliodinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di-p-tolyliodinium bromide",NA,"CC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)C.Br","YCZWJBIXAUQULS-UHFFFAOYSA-N",54601177,NA,"PDBC34070","8985","Present",NA,NA
+"34071","Di[ammoniumbis(5-sulfonatotropolonato)]bismuth(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di[ammoniumbis(5-sulfonatotropolonato)]bismuth(III)",NA,NA,NA,NA,NA,"PDBC34071","637223","Present",NA,NA
+"34072","Diacetamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIACETAMATE",NA,"CC(=O)NC1=CC=C(C=C1)OC(=O)C","UJAOSPFULOFZRR-UHFFFAOYSA-N",17499,NA,"PDBC34072","758889","Present",NA,NA
+"34073","Diacetobromogallium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diacetobromogallium(III)",NA,"CC(=O)O[Ga](OC(=O)C)Br","ONCYDDJVUSBQAJ-UHFFFAOYSA-K",16683557,NA,"PDBC34073","632571","Present",NA,NA
+"34074","Diacetochlorogallium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diacetochlorogallium(III)",NA,"CC(=O)O[Ga](OC(=O)C)Cl","HIIZQGSJTAETBO-UHFFFAOYSA-K",16683558,NA,"PDBC34074","632572","Present",NA,NA
+"34075","Diacetyl Fluoro Nissl Green",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diacetyl Fluoro Nissl Green",NA,"CC(=O)NC1=CC2=C(C=C1)C3=C(N2)C=C4C=CC(=CC4=N3)NC(=O)C","ZGSIPZVHOSDLSZ-UHFFFAOYSA-N",391531,NA,"PDBC34075","690780","Present",NA,NA
+"34076","Diacetylchrysophanic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diacetylchrysophanic acid",NA,"CC1=CC2=C(C(=C1)OC(=O)C)C(=O)C3=C(C2=O)C=CC=C3OC(=O)C","HKDZNWKYILPDRP-UHFFFAOYSA-N",270486,NA,"PDBC34076","112923","Present",NA,NA
+"34077","Diacid Orange R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"orange t",NA,"CC1=C(C=CC(=C1)S(=O)(=O)O)N=NC2=C(C=CC3=CC=CC=C32)O.[Na+]","WPWNIQBSYQVEKJ-UHFFFAOYSA-N",135422098,NA,"PDBC34077","51525","Present",NA,NA
+"34078","Diacromo Blue G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diacromo blue g",NA,"C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O.[Na+]","HOWITLLZNKSJOJ-UHFFFAOYSA-N",135422057,NA,"PDBC34078","47715","Present",NA,NA
+"34079","Diallyl amide of 7-methyl-3-phenyl-1-[2-hydroxy-3-(4-(2-pyrimidinyl)-1-pipera zinyl)propyl]-2,2,3,4-tetrahydropyrido[2,3-d]pyrim idine-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diallyl amide of 7-methyl-3-phenyl-1-[2-hydroxy-3-(4-(2-...",NA,"CC1=CC(=C2C(=N1)N(C(=O)N(C2=O)C3=CC=CC=C3)CC(CN4CCN(CC4)C5=NC=CC=N5)O)C(=O)N(CC=C)CC=C","VOKISAKUAYECPZ-UHFFFAOYSA-N",24206048,NA,"PDBC34079","737787","Present",NA,NA
+"34080","Diallyl amide of 7-methyl-3-phenyl-1-[3-(4-o-methoxyphenyl-1-piperazinyl)prop yl]-2,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-ca rboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diallyl amide of 7-methyl-3-phenyl-1-[3-(4-o-methoxyphen...",NA,"CC1=CC(=C2C(=N1)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCN4CCN(CC4)C5=CC=CC=C5OC)C(=O)N(CC=C)CC=C","LHZOKBYNSJCMMP-UHFFFAOYSA-N",24206047,NA,"PDBC34080","737786","Present",NA,NA
+"34081","Diallyl disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allyl disulfide",NA,"C=CCSSCC=C","PFRGXCVKLLPLIP-UHFFFAOYSA-N",16590,NA,"PDBC34081","29228","Present",NA,NA
+"34082","Diallyl(dichloromethyl)phosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diallyl(dichloromethyl)phosphine oxide",NA,"C=CCP(=O)(CC=C)C(Cl)Cl","YJYRCSCBBVCSES-UHFFFAOYSA-N",383111,NA,"PDBC34082","671155","Present",NA,NA
+"34083","Diammine-1,10,16-tetraoxa-4,13-diazacyclooctadecane-platinum(II)dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diammine-1,7,10,16-tetraoxa-4,13-diazacyclooctadecane- p...",NA,"C1C[OH+]CC[OH+]CCNCC[OH+]CC[OH+]CCN1.N.[Cl-].[Pt+4]","FSUKXSJAASNGJR-UHFFFAOYSA-Q",54600828,NA,"PDBC34083","632608","Present",NA,NA
+"34084","Diammine-1,10-trioxa-4,13-diazacyclopentadecaneplatinum-(II)dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diammine-1,7,10-trioxa-4,13-diazacyclopentadecaneplatinu...",NA,"C1C[OH+]CCNCC[OH+]CC[OH+]CCN1.N.[Cl-].[Pt+4]","VGEDIHLUJHSYFI-UHFFFAOYSA-P",54604823,NA,"PDBC34084","632610","Present",NA,NA
+"34085","Dianellin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dianellin",NA,"CC1C(C(C(C(O1)O)O)O)O.CC1=CC2=C(C(=CC=C2)OC3C(C(C(C(O3)CO)O)O)O)C(=C1C(=O)C)O","VWYKSSPNUMGXTG-UHFFFAOYSA-N",422284,NA,"PDBC34085","143089","Present",NA,NA
+"34086","Dianemycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dianemycin",NA,"CC1CC(C(OC1C2CC(C3(O2)C(C(CC(O3)C4(CCC5(O4)CC(C(C(O5)C(C)C=C(C)C(=O)C(C)CC(C)C(=O)O)C)O)C)OC6CCC(C(O6)C)OC)C)C)(CO)O)C","FELYAZAWTURXNF-JJIBRWJFSA-N",5475287,NA,"PDBC34086","138320","Present",NA,NA
+"34087","Dianisylideneacetone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dianisylideneacetone",NA,"COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC","IOZVKDXPBWBUKY-LQIBPGRFSA-N",715840,NA,"PDBC34087","677239","Present",NA,NA
+"34088","Diaquodichloroethylenediaminecobalt(III)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diaquodichloroethylenediaminecobalt(III)chloride",NA,NA,NA,NA,NA,"PDBC34088","631460","Present",NA,NA
+"34089","Diazabicycloheptane derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIAZABICYCLOHEPTANE DERIVATIVE",NA,"C1C[N+]2(CC[N+]1(C2)CCCl)CCCl.C(=CC(=O)[O-])C(=O)O","HKVBKOPISPWMSR-BTJKTKAUSA-M",54599345,NA,"PDBC34089","262666","Present",NA,NA
+"34090","Diazacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazacrone",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5","HXRDMECOXWSAOR-UHFFFAOYSA-N",364458,NA,"PDBC34090","630719","Present",NA,NA
+"34091","Diazaquinomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazaquinomycin A",NA,"CCCC1=C(C(=O)NC2=C1C(=O)C3=C(C2=O)NC(=O)C(=C3CCC)C)C","WZZGVUSWZMBPPL-UHFFFAOYSA-N",122105,NA,"PDBC34091","626554","Present",NA,NA
+"34092","Diazenecarbohydrazonoyl chloride, N,2-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625142",NA,"C1=CC=C(C=C1)NN=C(N=NC2=CC=CC=C2)Cl","ONNFMNKVWDFZMZ-HSOXYTCQSA-N",5464927,NA,"PDBC34092","625142","Present",NA,NA
+"34093","Diazine Black",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"janus black",NA,"CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)O)N=C2C=C1)C5=CC=CC=C5.[Cl-]","VJDDAARZIFHSQY-UHFFFAOYSA-N",135436529,NA,"PDBC34093","9610","Present",NA,NA
+"34094","Diaziquone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZQ",NA,"CCOC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)OCC)N3CC3","WVYXNIXAMZOZFK-UHFFFAOYSA-N",42616,NA,"PDBC34094","182986","Present",NA,NA
+"34095","Diaziridinone, bis(1,1-dimethyl-2-phenylethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diaziridinone, bis(.alpha.,.alpha.-dimethylphenethyl)-",NA,"CC(C)(CC1=CC=CC=C1)N2C(=O)N2C(C)(C)CC3=CC=CC=C3","ZKQWBEDDJGVEDB-UHFFFAOYSA-N",391928,NA,"PDBC34095","691608","Present",NA,NA
+"34096","Diazoacetic acid propargyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazoacetic acid propargyl ester",NA,"C#CCOC(=O)C=[N+]=[N-]","ZCMNBAFKLFHXOE-UHFFFAOYSA-N",379004,NA,"PDBC34096","662773","Present",NA,NA
+"34097","Diazodimedone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazodimedone",NA,"CC1(CC(=O)C(=[N+]=[N-])C(=O)C1)C","DMOYBIUAWCVPLF-UHFFFAOYSA-N",353445,NA,"PDBC34097","601821","Present",NA,NA
+"34098","Diazonamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazonamide A",NA,"CC(C)C1C2=NC3=C(O2)C45C(NC6=C(C=CC=C64)C7=C8C(=CC=C7)NC(=C8C9=C(N=C3O9)Cl)Cl)OC2=C5C=C(CC(C(=O)N1)NC(=O)C(C(C)C)O)C=C2","YKBUODYYSZSEIY-PLSHLZFXSA-N",395475,NA,"PDBC34098","700089","Present",NA,NA
+"34099","Dibenz[f, 1,2,3,4-tetrahydro-2-methyl-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenz[f,h]isoquinoline, 1,2,3,4-tetrahydro-2-methyl-, h...",NA,"CN1CCC2=C(C1)C3=CC=CC=C3C4=CC=CC=C24.Cl","BLHWWESOADPCET-UHFFFAOYSA-N",21144925,NA,"PDBC34099","402303","Present",NA,NA
+"34100","Dibenzepin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deprex",NA,"CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl","RJPZIQRLRMWPRF-UHFFFAOYSA-N",443945,NA,"PDBC34100","169412","Present",NA,NA
+"34101","Dibenziodolium, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIBENZIODOLIUM, IODIDE",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3[I+]2.I","BSPMLYBYVRXYGY-UHFFFAOYSA-N",54605043,NA,"PDBC34101","577","Present",NA,NA
+"34102","Dibenzo-15-crown-5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzo-15-crown-5",NA,"C1COC2=CC=CC=C2OCCOC3=CC=CC=C3OCCO1","QSBFECWPKSRWNM-UHFFFAOYSA-N",373245,NA,"PDBC34102","649284","Present",NA,NA
+"34103","Dibenzo[a, N-[2-(dimethylamino)ethyl]-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzo[a,c]phenazine-10-carboxamide, N-[2- (dimethylami...",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C4=CC=CC=C4C5=CC=CC=C5C3=N2.Cl","OQFQAZZTYBKFKO-UHFFFAOYSA-N",358174,NA,"PDBC34103","617988","Present",NA,NA
+"34104","Dibenzo[a,e]cycloocten-5,11-imin-4-ol, 5,6,11,12-tetrahydro-3,8-dimethoxy-13-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,13-Dimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-3-ol",NA,"CN1C2CC3=C(C1CC4=C2C=CC(=C4)OC)C(=C(C=C3)OC)O","BKPCUFNSQZEAFZ-UHFFFAOYSA-N",371202,NA,"PDBC34104","645252","Present",NA,NA
+"34105","Dibenzo[a,o]perylene-7,16-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Helianthrone",NA,"C1=CC=C2C(=C1)C3=C4C(=C5C=CC=C6C5=C3C7=CC=CC=C7C6=O)C=CC=C4C2=O","CJADAVIATOALFB-UHFFFAOYSA-N",68058,NA,"PDBC34105","152100","Present",NA,NA
+"34106","Dibenzo[b, 2-(dimethylamino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(dimethylamino)-6h-benzoi[c]chromen-6-one",NA,"CN(C)C1=CC2=C(C=C1)OC(=O)C3=CC=CC=C32","FYVPPRKWSFDKOR-UHFFFAOYSA-N",265057,NA,"PDBC34106","100828","Present",NA,NA
+"34107","Dibenzo[b,e][1,4]dioxin-1-carboxamide, N-[2-(dimethylamino)ethyl]-3-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Dimethylaminoethyl)-3-nitro-dibenzo-p-dioxin-1-carboxamide",NA,"CN(C)CCNC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])OC3=CC=CC=C3O2","DHKUZINVEZYFKU-UHFFFAOYSA-N",370718,NA,"PDBC34107","644219","Present",NA,NA
+"34108","Dibenzo[e,m][1,4,8,11]dioxadiazacyclotetradecine-6,9(5H,10H)-diethanol, 7,8,16,17-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzo[e,m][1,4,8,11]dioxadiazacyclotetradecine-6,9(5H,10H)-diethanol, 7,8,16,17-tetrahydro-",NA,"C1CN(CC2=CC=CC=C2OCCOC3=CC=CC=C3CN1CCO)CCO","CSBQOUYEXOZEDZ-UHFFFAOYSA-N",373158,NA,"PDBC34108","649099","Present",NA,NA
+"34109","Dibenzo[f,m][1,8,4,11]dithiadiazacyclotetradecine-8,17(9H,18H)-diacetic acid, 6,7,15,16-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[16-(Carboxymethyl)-2,13-dithia-5,16-diazatricyclo[16.4.0.07,12]docosa-1(22),7,9,11,18,20-hexaen-5-yl]acetic acid",NA,"C1CSC2=CC=CC=C2CN(CCSC3=CC=CC=C3CN1CC(=O)O)CC(=O)O","ANMWFBKSYJTLMJ-UHFFFAOYSA-N",374575,NA,"PDBC34109","652549","Present",NA,NA
+"34110","Dibenzofuran-3-ylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiourea, N-3-dibenzofuranyl-",NA,"C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)N","VWBVBJPKRDFZHY-UHFFFAOYSA-N",3005416,NA,"PDBC34110","698578","Present",NA,NA
+"34111","Dibenzopyran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzopyran",NA,"C1C2=C(C(=C(C(=C2C3=C(O1)C=CC(=C3)F)C#N)N)C#N)C4=CC=C(C=C4)Cl","JLPSJOTVDJEZQM-UHFFFAOYSA-N",24203752,NA,"PDBC34111","729305","Present",NA,NA
+"34112","Dibenzoyl 2-aminopropanedioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669767",NA,"C1=CC=C(C=C1)C(=O)OC(=O)C(C(=O)OC(=O)C2=CC=CC=C2)N.Cl","QUXDXXREKXGAPN-UHFFFAOYSA-N",382305,NA,"PDBC34112","669767","Present",NA,NA
+"34113","Dibenzoylfuran deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIBENZOYLFURAN DERIV",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C2=COC=C2C(=O)C3=CC4=C(C=C3)OCO4","VYYTXYSWNCYNIT-UHFFFAOYSA-N",282697,NA,"PDBC34113","136513","Present",NA,NA
+"34114","Dibenzoylmethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dibenzoylmethane",NA,"C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=CC=C2","NZZIMKJIVMHWJC-UHFFFAOYSA-N",8433,NA,"PDBC34114","6266","Present",NA,NA
+"34115","Dibenzoyloxytin; (1Z,4Z,9Z,15Z)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzoyloxytin; (1Z,4Z,9Z,15Z)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin",NA,NA,NA,NA,NA,"PDBC34115","650044","Present",NA,NA
+"34116","Dibenzyl 1,4,7,10,13-pentaazacyclopentadecane-1,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzyl 1,4,7,10,13-pentazacyclopentadecane-1,7-dicarboxylate",NA,"C1CNCCN(CCNCCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","VHURGJDXQYGKNG-UHFFFAOYSA-N",393895,NA,"PDBC34116","696855","Present",NA,NA
+"34117","Dibenzyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XLXMYMNBHSMTEB-UHFFFAOYSA-N",NA,"C1CN(CCNCCN(CCN1)C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","XLXMYMNBHSMTEB-UHFFFAOYSA-N",393883,NA,"PDBC34117","696844","Present",NA,NA
+"34118","Dibenzyl 2,2-bis((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzyl 2,2-bis((1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl)malonate",NA,"C1=CC=C(C=C1)COC(=O)C(CN2C(=O)C3=CC=CC=C3C2=O)(CN4C(=O)C5=CC=CC=C5C4=O)C(=O)OCC6=CC=CC=C6","UCYDATXYVZPWOZ-UHFFFAOYSA-N",381436,NA,"PDBC34118","668024","Present",NA,NA
+"34119","Dibenzyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dibenzyl 2,6-dimethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dih...",NA,"CC1=C(C(C(=C(N1)C)C(=O)OCC2=CC=CC=C2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OCC4=CC=CC=C4","MEZJIRPCHJSUDA-UHFFFAOYSA-N",155816524,NA,"PDBC34119","788815","Present",NA,NA
+"34120","Dibenzyl 2-((((benzyloxy)carbonyl)amino)methyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzyl 2-((((benzyloxy)carbonyl)amino)methyl)malonate",NA,"C1=CC=C(C=C1)COC(=O)C(CNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","JPVIUUYQWFQLRB-UHFFFAOYSA-N",381435,NA,"PDBC34120","668023","Present",NA,NA
+"34121","Dibenzyl 2-(3-(4-(benzyloxy)anilino)-3-oxopropyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzyl 2-(3-(4-(benzyloxy)anilino)-3-oxopropyl)malonate",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCC(C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","OLHZWRVKHSBGKN-UHFFFAOYSA-N",382145,NA,"PDBC34121","669589","Present",NA,NA
+"34122","Dibenzyl 2-amino-3-methyl-6-oxopurin-3-ium-1,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzyl 2-amino-3-methyl-6-oxopurin-3-ium-1,7-dicarboxylate",NA,"C[N+]1=C(N(C(=O)C2=C1N=CN2C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)N","LYUFJOFVCBOEON-UHFFFAOYSA-O",358316,NA,"PDBC34122","618277","Present",NA,NA
+"34123","Dibenzyl 2-aminosuccinate 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VA50670",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)N","HLMUYZYLPUHSNV-UHFFFAOYSA-N",353536,NA,"PDBC34123","602076","Present",NA,NA
+"34124","Dibenzyl 3,4-dioxohexanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzyl 3,4-dioxohexanedioate",NA,"C1=CC=C(C=C1)COC(=O)CC(=O)C(=O)CC(=O)OCC2=CC=CC=C2","KMFAWNWFQZNDSH-UHFFFAOYSA-N",372207,NA,"PDBC34124","647158","Present",NA,NA
+"34125","Dibenzyl 4,10-bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzyl 4,10-bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate",NA,"C1CCN(CC1)C(=O)CN2CCN(CCN(CCN(CC2)C(=O)OCC3=CC=CC=C3)CC(=O)N4CCCCC4)C(=O)OCC5=CC=CC=C5","ATBIKWDPTMANRY-UHFFFAOYSA-N",393891,NA,"PDBC34125","696851","Present",NA,NA
+"34126","Dibenzyl [5-(dibenzyloxyphosphoryloxymethyl)-2,5-diethoxy-1,4-dioxan-2-yl]methyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzyl [5-(dibenzyloxyphosphoryloxymethyl)-2,5-diethoxy-1,4-dioxan-2-yl]methyl phosphate",NA,"CCOC1(COC(CO1)(COP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC)COP(=O)(OCC4=CC=CC=C4)OCC5=CC=CC=C5","VNFOSTPGFOALAJ-UHFFFAOYSA-N",373087,NA,"PDBC34126","649007","Present",NA,NA
+"34127","Dibenzyl-bis(8-quinolyloxy)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzyl-bis(8-quinolyloxy)stannane",NA,"C1=CC=C(C=C1)C[Sn](CC2=CC=CC=C2)(OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6","KYXKUZPOXYZNTD-UHFFFAOYSA-L",16683147,NA,"PDBC34127","628589","Present",NA,NA
+"34128","Dibenzyl-bis(8-quinolylsulfanyl)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzyl-bis(8-quinolylsulfanyl)stannane",NA,"C1=CC=C(C=C1)C[Sn](CC2=CC=CC=C2)(SC3=CC=CC4=C3N=CC=C4)SC5=CC=CC6=C5N=CC=C6","ZAKBFTNZHVZBOI-UHFFFAOYSA-L",9569947,NA,"PDBC34128","628590","Present",NA,NA
+"34129","Dibenzylideneacetone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzalacetone",NA,"C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2","WMKGGPCROCCUDY-PHEQNACWSA-N",640180,NA,"PDBC34129","623642","Present",NA,NA
+"34130","Dibromo(1-phenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibromo(1-phenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC34130","635150","Present",NA,NA
+"34131","Dibromobis(1,3-diphenyl-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibromobis(1,3-diphenyl-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC34131","635156","Present",NA,NA
+"34132","Dibromobis(pentane-2,4-dionato)zirconium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibromobis(pentane-2,4-dionato)zirconium(IV)",NA,NA,NA,NA,NA,"PDBC34132","635147","Present",NA,NA
+"34133","Dibromsalan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC20527///NSC81947",NA,"C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)Br)O)Br","CTFFKFYWSOSIAA-UHFFFAOYSA-N",14839,NA,"PDBC34133","20527///81947","Present",NA,NA
+"34134","Dibromsalicil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dibrosal",NA,"C1=CC(=C(C=C1Br)C(=O)C(=O)C2=C(C=CC(=C2)Br)O)O","AAOYLOCWJSLLJU-UHFFFAOYSA-N",10662,NA,"PDBC34134","13235","Present",NA,NA
+"34135","Dibutyl 2-phosphono-3-(5-methyl-2-furan)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibutyl 2-phosphono-3-(5-methyl-2-furan)acrylonitrile",NA,"CCCCOP(=O)(C(=CC1=CC=C(O1)C)C#N)OCCCC","JNVCYZQGVVZUDS-FOWTUZBSSA-N",5467936,NA,"PDBC34135","660158","Present",NA,NA
+"34136","Dibutyl 3,5-bis(4-chlorophenyl)-1,1-dioxo-1,4-thiazinane-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibutyl 3,5-bis(4-chlorophenyl)thiomorpholine-2,6-dicarboxylate 1,1-dioxide",NA,"CCCCOC(=O)C1C(NC(C(S1(=O)=O)C(=O)OCCCC)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","VJWMSMOLIQWFJP-UHFFFAOYSA-N",368562,NA,"PDBC34136","639638","Present",NA,NA
+"34137","Dibutyl 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibutyl 7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate",NA,"CCCCOC(=O)C1C2CCC(C1C(=O)OCCCC)O2","PYJMIPFOSSSQPP-UHFFFAOYSA-N",369527,NA,"PDBC34137","641384","Present",NA,NA
+"34138","Dibutyl(bis((2,4,5-trimethoxybenzoyl)oxy))stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibutyl(bis((2,4,5-trimethoxybenzoyl)oxy))stannane",NA,"CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C=C1OC)OC)OC)OC(=O)C2=CC(=C(C=C2OC)OC)OC","DJOGSWMGNUFBTG-UHFFFAOYSA-L",16683573,NA,"PDBC34138","643837","Present",NA,NA
+"34139","Dibutyl(bis((3,4,5-trimethoxybenzoyl)oxy))stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibutyl(bis((3,4,5-trimethoxybenzoyl)oxy))stannane",NA,"CCCC[Sn](CCCC)(OC(=O)C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC","JFRMRNAMFYAHPG-UHFFFAOYSA-L",16683185,NA,"PDBC34139","643835","Present",NA,NA
+"34140","Dibutyl(bis((3-(2-fluorophenyl)acryloyl)oxy))stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibutyl(bis((3-(2-fluorophenyl)acryloyl)oxy))stannane",NA,"CCCC[Sn](CCCC)(OC(=O)C=CC1=CC=CC=C1F)OC(=O)C=CC2=CC=CC=C2F","BZBGKPAQSJMVQS-LWJYSMRHSA-L",16683204,NA,"PDBC34140","643860","Present",NA,NA
+"34141","Dibutyl-bis(4,5-dihydrothiazol-2-ylsulfanyl)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibutyl-bis(4,5-dihydrothiazol-2-ylsulfanyl)stannane",NA,"CCCC[Sn](CCCC)(SC1=NCCS1)SC2=NCCS2","NEZLJOHJOMWGEY-UHFFFAOYSA-L",9571331,NA,"PDBC34141","643864","Present",NA,NA
+"34142","Dibutyl-bis(8-quinolyloxy)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-Pf-448",NA,"CCCC[Sn](CCCC)(OC1=CC=CC2=C1N=CC=C2)OC3=CC=CC4=C3N=CC=C4","RHELNBIZSJLYLJ-UHFFFAOYSA-L",16683146,NA,"PDBC34142","628587","Present",NA,NA
+"34143","Dibutyl-bis(8-quinolylsulfanyl)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibutyl-bis(8-quinolylsulfanyl)stannane",NA,"CCCC[Sn](CCCC)(SC1=CC=CC2=C1N=CC=C2)SC3=CC=CC4=C3N=CC=C4","XFDRJUCVHMLTFN-UHFFFAOYSA-L",9569946,NA,"PDBC34143","628588","Present",NA,NA
+"34144","Dibutyltin diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diacetoxybutyltin",NA,"CCCC[Sn](CCCC)(OC(=O)C)OC(=O)C","JJLKTTCRRLHVGL-UHFFFAOYSA-L",16682740,NA,"PDBC34144","8786","Present",NA,NA
+"34145","Dibutyltin dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D.b.t.c.",NA,"CCCC[Sn](CCCC)(Cl)Cl","RJGHQTVXGKYATR-UHFFFAOYSA-L",12688,NA,"PDBC34145","2604","Present",NA,NA
+"34146","Dibutyltin oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dibutyloxotin",NA,"CCCC[Sn](=O)CCCC","JGFBRKRYDCGYKD-UHFFFAOYSA-N",61221,NA,"PDBC34146","28130","Present",NA,NA
+"34147","Dibutyltin;[(Z)-C-sulfaniumyl-N-[(Z)-1-thiophen-2-ylethylideneamino]carbonimidoyl]azanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibutyltin;[(Z)-C-sulfaniumyl-N-[(Z)-1-thiophen-2-ylethylideneamino]carbonimidoyl]azanide",NA,NA,NA,NA,NA,"PDBC34147","630455","Present",NA,NA
+"34148","Dibutyltin;[(Z)-N-[(Z)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide;[(Z)-N-[(E)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibutyltin;[(Z)-N-[(Z)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide;[(Z)-N-[(E)-1-pyridin-2-ylethylideneamino]-C-sulfaniumylcarbonimidoyl]azanide",NA,NA,NA,NA,NA,"PDBC34148","630454","Present",NA,NA
+"34149","Dicarbamoyl-[2-(2-chloroanilino)-2-thioxo-ethylidene]ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicarbamoyl-[2-(2-chloroanilino)-2-thioxo-ethylidene]ammonium",NA,"C1=CC=C(C(=C1)NC(=S)C=[N+](C(=O)N)C(=O)N)Cl","PCBATRFKFAWWBO-UHFFFAOYSA-O",3004531,NA,"PDBC34149","658303","Present",NA,NA
+"34150","Dicarbonyl(1,3-propanedionato)iridium(I)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicarbonyl(1,3-diphenyl-1,3-propanedionato)iridium(I)",NA,"[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ir]","SOCAYSLRTNUPQH-UHFFFAOYSA-N",6711630,NA,"PDBC34150","632880","Present",NA,NA
+"34151","Dicarbonyl(1-phenylbutane-1,3-dionato)iridium(I)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicarbonyl(1-phenylbutane-1,3-dionato)iridium(I)",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.[C-]#[O+].[C-]#[O+].[Ir]","SGJBVAMNCNIFFE-UHFFFAOYSA-N",6711625,NA,"PDBC34151","632875","Present",NA,NA
+"34152","Dicarbonyl[1-(4-N,N-dimethylamine-phenylazo)naphthaline-2-olato]iridium(I)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicarbonyl[1-(4-N,N-dimethylamine-phenylazo)naphthaline-...",NA,"CN(C)C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].[C-]#[O+].[C-]#[O+].[Ir]","DAGZUZWQBLAXGA-UHFFFAOYSA-M",6711626,NA,"PDBC34152","632876","Present",NA,NA
+"34153","Dicarbonyl[1-(4-N,N1)]iridium(I)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicarbonyl[1-(4-N,N-dimethylaminophenyl-NC-azomethine)- ...",NA,"CN(C)C1=CC=C(C=C1)N=CC2=C(C=CC3=CC=CC=C32)[O-].[C-]#[O+].[C-]#[O+].[Ir]","PBSCJNGXRORBJB-UHFFFAOYSA-M",6711628,NA,"PDBC34153","632878","Present",NA,NA
+"34154","Dicarbonyl[1-(4-cyanaphenyl-NC-azomethyine)-naphthaline-2-olato(O1,N1)]iridium(I)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicarbonyl[1-(4-cyanaphenyl-NC-azomethyine)- naphthaline...",NA,"[C-]#[O+].[C-]#[O+].C1=CC=C2C(=C1)C=CC(=C2C=NC3=CC=C(C=C3)C#N)[O-].[Ir]","VEEOTBGXSVNKDQ-UHFFFAOYSA-M",6711631,NA,"PDBC34154","632882","Present",NA,NA
+"34155","Dicarbonyl[1-(phenylazo)naphthaline-2-olato(O1,N1)]-iridium(I)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicarbonyl[1-(phenylazo)naphthaline-2-olato(O1,N1)]- iri...",NA,"[C-]#[O+].[C-]#[O+].C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)[O-].[Ir]","SSNRRGDULXKBGF-UHFFFAOYSA-M",6711627,NA,"PDBC34155","632877","Present",NA,NA
+"34156","Dichapetalin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichapetalin A",NA,"CC(=CC1CC(C(=O)O1)C2CCC34C2(C3)C=CC5C4(C(CC6C5(CC=C7C6(COC(C7)C8=CC=CC=C8)C)C)O)C)CO","LRJFCTOUXFAGON-NNLSLSRSSA-N",5469156,NA,"PDBC34156","683690","Present",NA,NA
+"34157","Dichloro(1,10,16-tetraoxa-4,13-diazoniacyclooctadecane)-platinum(IV)dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro(1,7,10,16-tetraoxa-4,13-diazoniacyclooctadecane...",NA,"C1C[OH+]CC[OH+]CCNCC[OH+]CC[OH+]CCN1.Cl.[Cl-].[Pt+4]","ZMKOKPVQRXGSFN-UHFFFAOYSA-Q",54608807,NA,"PDBC34157","633559","Present",NA,NA
+"34158","Dichloro(1,12-diphenyldodecane-1,3,10,12-tetraonato) tit...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro(1,12-diphenyldodecane-1,3,10,12-tetraonato) tit...",NA,NA,NA,NA,NA,"PDBC34158","635907","Present",NA,NA
+"34159","Dichloro(1,14-diphenyltetradecane-1,13,12,14- tetraonato...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro(1,14-diphenyltetradecane-1,13,12,14- tetraonato...",NA,NA,NA,NA,NA,"PDBC34159","635911","Present",NA,NA
+"34160","Dichloro(1-phenyl-1,3-butanedionato)bis(triphenylphosphi...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro(1-phenyl-1,3-butanedionato)bis(triphenylphosphi...",NA,NA,NA,NA,NA,"PDBC34160","632806","Present",NA,NA
+"34161","Dichloro(2,4H-diazine-5-methylchloride-1-on-3-olato) tit...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro(2,4H-diazine-5-methylchloride-1-on-3-olato) tit...",NA,NA,NA,NA,NA,"PDBC34161","639098","Present",NA,NA
+"34162","Dichloro(4,N')platinum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro(4,5-dimethyl-o-phenylenediamine)platinum(II)",NA,"CC1=CC(=C(C=C1C)[NH-])[NH-].Cl[Pt+2]Cl","DOIGLVPYOVTOIY-UHFFFAOYSA-L",427639,NA,"PDBC34162","215153","Present",NA,NA
+"34163","Dichloro(4-N,N-dimethylamine-1-hydroxybenzolato-O-)-bismuth(III)-hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro(4-N,N-dimethylamine-1-hydroxybenzolato-O-)- bis...",NA,"CN(C)C1=CC=C(C=C1)O[Bi](Cl)Cl.Cl","VQFCMUWWSHDZGO-UHFFFAOYSA-K",16683563,NA,"PDBC34163","632811","Present",NA,NA
+"34164","Dichloro(diphenyl)stannane; 1,4,7,10,13,16-hexaoxacyclooctadecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stannane, dichlorodiphenyl-, compd. with 1,4,7,10,13,16-...",NA,"C1COCCOCCOCCOCCOCCO1.C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl","OOPVFLFMNVTDQX-UHFFFAOYSA-L",338856,NA,"PDBC34164","363143","Present",NA,NA
+"34165","Dichloro(dipropyl)stannane;2-[2-[(2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2,2'-[1,2-ethanediylbis(nitrilomethylidyne)]bis-...",NA,"CCC[Sn](CCC)(Cl)Cl.C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2O)O","FKSVBEYZSPODQH-UHFFFAOYSA-L",425443,NA,"PDBC34165","174218","Present",NA,NA
+"34166","Dichloro(pyridine-2-ethanolato)bismuth(III)hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro(pyridine-2-ethanolato)bismuth(III)hydrochloride",NA,NA,NA,NA,NA,"PDBC34166","634364","Present",NA,NA
+"34167","Dichloro-(3-chloro-1-methyl-2,4-dioxo-3-quinolyl)methanesulfonic acid; pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro-(3-chloro-1-methyl-2,4-dioxo-3-quinolyl)methanesulfonic acid; pyridine",NA,"CN1C2=CC=CC=C2C(=O)C(C1=O)(C(S(=O)(=O)O)(Cl)Cl)Cl.C1=CC=NC=C1","UZUGYZVJLUHULR-UHFFFAOYSA-N",363690,NA,"PDBC34167","628806","Present",NA,NA
+"34168","Dichloro-18-crown-6-iron(III)[tetrachloroferrate(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro-18-crown-6-iron(III)[tetrachloroferrate(III)",NA,NA,NA,NA,NA,"PDBC34168","634043","Present",NA,NA
+"34169","Dichloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]iron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro-[2,4-dichloro-6-[(E)-(2-pyridylhydrazono)methyl]phenoxy]iron",NA,NA,NA,NA,NA,"PDBC34169","625858","Present",NA,NA
+"34170","Dichloro-bis(2-formylphenoxy)titanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro-bis(2-formylphenoxy)titanium",NA,NA,NA,NA,NA,"PDBC34170","644927","Present",NA,NA
+"34171","Dichloro-bis[6-(phenylsulfanylmethyl)-1,3-benzodioxol-5-yl]palladium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloro-bis[6-(phenylsulfanylmethyl)-1,3-benzodioxol-5-yl]palladium",NA,NA,NA,NA,NA,"PDBC34171","648084","Present",NA,NA
+"34172","Dichloroallyl lawsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloroallyl lawsone",NA,"C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O","LWQZLQISFLBSGW-UHFFFAOYSA-N",277767,NA,"PDBC34172","126771","Present",NA,NA
+"34173","Dichloroallyl lawsone, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloroallyl lawsone, sodium salt",NA,"C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O.[Na+]","IMOJXPUCVYQJCF-UHFFFAOYSA-N",54610148,NA,"PDBC34173","136592","Present",NA,NA
+"34174","Dichlorobis(1,2-dichlorglyoximato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(1,2-dichlorglyoximato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC34174","639090","Present",NA,NA
+"34175","Dichlorobis(1,2-diphenylglyoximato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(1,2-diphenylglyoximato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC34175","639088","Present",NA,NA
+"34176","Dichlorobis(1,3-diphenyl-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(1,3-diphenyl-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC34176","635158","Present",NA,NA
+"34177","Dichlorobis(1-phenylbutane-1,3-dionato)molybdenum(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(1-phenylbutane-1,3-dionato)molybdenum(IV)",NA,NA,NA,NA,NA,"PDBC34177","632589","Present",NA,NA
+"34178","Dichlorobis(1-phenylbutane-1,3-dionato)zirconium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(1-phenylbutane-1,3-dionato)zirconium(IV)",NA,NA,NA,NA,NA,"PDBC34178","635148","Present",NA,NA
+"34179","Dichlorobis(1-phenylpropane-1,2-dioximato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(1-phenylpropane-1,2-dioximato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC34179","639089","Present",NA,NA
+"34180","Dichlorobis(1H,3-diazole-5,5-diphenyl-4-on-2-olato) tita...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(1H,3-diazole-5,5-diphenyl-4-on-2-olato) tita...",NA,NA,NA,NA,NA,"PDBC34180","639096","Present",NA,NA
+"34181","Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)- ger...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)- ger...",NA,NA,NA,NA,NA,"PDBC34181","632588","Present",NA,NA
+"34182","Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)silic...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(2,2,6,6-tetramethyl-3,5-heptanedionato)silic...",NA,NA,NA,NA,NA,"PDBC34182","632740","Present",NA,NA
+"34183","Dichlorobis(2-trimethylacetyl-1,3-indanedionato)tin(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(2-trimethylacetyl-1,3-indanedionato)tin(IV)",NA,NA,NA,NA,NA,"PDBC34183","639607","Present",NA,NA
+"34184","Dichlorobis(3-phenylpentane-2,4-dionato)hafnium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(3-phenylpentane-2,4-dionato)hafnium(IV)",NA,NA,NA,NA,NA,"PDBC34184","638366","Present",NA,NA
+"34185","Dichlorobis(4-N,N-dimethylamine-1-nitrosyl-2-hydroxy-ben...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(4-N,N-dimethylamine-1-nitrosyl-2-hydroxy-ben...",NA,NA,NA,NA,NA,"PDBC34185","632865","Present",NA,NA
+"34186","Dichlorobis(7,8-benzo-1,3-diazaspiro[4,5]decane-4-on- 2-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(7,8-benzo-1,3-diazaspiro[4,5]decane-4-on- 2-...",NA,NA,NA,NA,NA,"PDBC34186","639596","Present",NA,NA
+"34187","Dichlorobis(N,N-dimethyl-5-amino-2-nitroso-phenolato) ti...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(N,N-dimethyl-5-amino-2-nitroso-phenolato) ti...",NA,NA,NA,NA,NA,"PDBC34187","638753","Present",NA,NA
+"34188","Dichlorobis(glyoximato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(glyoximato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC34188","639091","Present",NA,NA
+"34189","Dichlorobis(pentane-2,4-dionato)hafnium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(pentane-2,4-dionato)hafnium(IV)",NA,NA,NA,NA,NA,"PDBC34189","635145","Present",NA,NA
+"34190","Dichlorobis(pentane-2,4-dionato)zirconium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis(pentane-2,4-dionato)zirconium(IV)",NA,NA,NA,NA,NA,"PDBC34190","635146","Present",NA,NA
+"34191","Dichlorobis-.alpha.-benzileoximatoruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis-.alpha.-benzileoximatoruthenium(III)",NA,NA,NA,NA,NA,"PDBC34191","632617","Present",NA,NA
+"34192","Dichlorobis[1-(4-nitrophenyl)-3-phenylpropane-1,3-dionat...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis[1-(4-nitrophenyl)-3-phenylpropane-1,3-dionat...",NA,NA,NA,NA,NA,"PDBC34192","637209","Present",NA,NA
+"34193","Dichlorobis[N,N'-bis(1-hydroxymethylpropyl)ethylenediami...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobis[N,N'-bis(1-hydroxymethylpropyl)ethylenediami...",NA,NA,NA,NA,NA,"PDBC34193","647059","Present",NA,NA
+"34194","Dichlorobisindenyltitanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobisindenyltitanium(IV)",NA,NA,NA,NA,NA,"PDBC34194","635155","Present",NA,NA
+"34195","Dichlorobisoxinatotitanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobisoxinatotitanium(IV)",NA,NA,NA,NA,NA,"PDBC34195","635157","Present",NA,NA
+"34196","Dichlorobispyridinebis(triphenylphosphine)ruthenium(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobispyridinebis(triphenylphosphine)ruthenium(II)",NA,NA,NA,NA,NA,"PDBC34196","632867","Present",NA,NA
+"34197","Dichlorobistropolonato-germanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorobistropolonato-germanium(IV)",NA,NA,NA,NA,NA,"PDBC34197","632745","Present",NA,NA
+"34198","Dichlorocobalt; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorocobalt; N-[(E)-[phenyl(2-pyridyl)methylene]amino]pyridin-2-amine",NA,NA,NA,NA,NA,"PDBC34198","625541","Present",NA,NA
+"34199","Dichlorocopper; 1,1-dimethyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorocopper; 1,1-dimethyl-3-[(E)-(6-methyl-2-pyridyl)methyleneamino]thiourea",NA,NA,NA,NA,NA,"PDBC34199","647133","Present",NA,NA
+"34200","Dichlorocopper; [3-[2-dimethylaminoethyl(methyl)amino]-2-octadecanoyloxy-propyl] octadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorocopper; [3-[2-dimethylaminoethyl(methyl)amino]-2-octadecanoyloxy-propyl] octadecanoate",NA,NA,NA,NA,NA,"PDBC34200","625420","Present",NA,NA
+"34201","Dichlorocopper;N'-(2,3-dihexadecoxypropyl)-N,N,N'-trimethylethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorocopper;N'-(2,3-dihexadecoxypropyl)-N,N,N'-trimethylethane-1,2-diamine",NA,NA,NA,NA,NA,"PDBC34201","625419","Present",NA,NA
+"34202","Dichlorodibutoxy[1-(4-methoxyphenyl)-3-phenyl-1,3-butane...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorodibutoxy[1-(4-methoxyphenyl)-3-phenyl-1,3-butane...",NA,NA,NA,NA,NA,"PDBC34202","632861","Present",NA,NA
+"34203","Dichlorodiethoxy(1-phenyl-1,3-butanedionato)niobium(V)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorodiethoxy(1-phenyl-1,3-butanedionato)niobium(V)",NA,NA,NA,NA,NA,"PDBC34203","632799","Present",NA,NA
+"34204","Dichlorodiethoxy(1-phenyl-1,3-butanedionato)tantalum(V)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorodiethoxy(1-phenyl-1,3-butanedionato)tantalum(V)",NA,NA,NA,NA,NA,"PDBC34204","632860","Present",NA,NA
+"34205","Dichlorodiethoxy(2,4-pentanedionato)niobium(V)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorodiethoxy(2,4-pentanedionato)niobium(V)",NA,NA,NA,NA,NA,"PDBC34205","632798","Present",NA,NA
+"34206","Dichlorodiethoxy(2,4-pentanedionato)tantalum(V)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorodiethoxy(2,4-pentanedionato)tantalum(V)",NA,NA,NA,NA,NA,"PDBC34206","632859","Present",NA,NA
+"34207","Dichlorodiethoxy[1-(4-methoxyphenyl)-3-phenyl-1,3- propa...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorodiethoxy[1-(4-methoxyphenyl)-3-phenyl-1,3- propa...",NA,NA,NA,NA,NA,"PDBC34207","632801","Present",NA,NA
+"34208","Dichlorodioctylstannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dotc",NA,"CCCCCCCC[Sn](CCCCCCCC)(Cl)Cl","SBOSGIJGEHWBKV-UHFFFAOYSA-L",77080,NA,"PDBC34208","102574","Present",NA,NA
+"34209","Dichlorodipropionato(1,3-diphenyl-1,3-propanedionato)- n...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorodipropionato(1,3-diphenyl-1,3-propanedionato)- n...",NA,NA,NA,NA,NA,"PDBC34209","632800","Present",NA,NA
+"34210","Dichlorodipropylstannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dichlorodipropyltin",NA,"CCC[Sn](CCC)(Cl)Cl","CTRHCENQKGMZLE-UHFFFAOYSA-L",93562,NA,"PDBC34210","92618","Present",NA,NA
+"34211","Dichloroethoxyoxodiphenylphosphinerhenium(V)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloroethoxyoxodiphenylphosphinerhenium(V)",NA,NA,NA,NA,NA,"PDBC34211","632807","Present",NA,NA
+"34212","Dichlorohydridotris(1,3-diphenyl-1,3-propanedionato) sil...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorohydridotris(1,3-diphenyl-1,3-propanedionato) sil...",NA,NA,NA,NA,NA,"PDBC34212","632863","Present",NA,NA
+"34213","Dichloromethyl(diethyl)phosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloromethyl(diethyl)phosphine oxide",NA,"CCP(=O)(CC)C(Cl)Cl","UMVGBZCVMRZRNW-UHFFFAOYSA-N",383110,NA,"PDBC34213","671154","Present",NA,NA
+"34214","Dichloropalladium;1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole;tripropylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloropalladium;1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole;tripropylphosphane",NA,NA,NA,NA,NA,"PDBC34214","654294","Present",NA,NA
+"34215","Dichlorophen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DICHLOROPHENE",NA,"C1=CC(=C(C=C1Cl)CC2=C(C=CC(=C2)Cl)O)O","MDNWOSOZYLHTCG-UHFFFAOYSA-N",3037,NA,"PDBC34215","757391","Present",NA,NA
+"34216","Dichlorophenyl-bis-triazolylpropanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UK-47265",NA,"C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)(CN3C=NC=N3)O","CMGCKUPKNSSPER-UHFFFAOYSA-N",133777,NA,"PDBC34216","651919","Present",NA,NA
+"34217","Dichloroplatinum; 2-phenylselanylcyclohexanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloroplatinum; 2-phenylselanylcyclohexanamine",NA,NA,NA,NA,NA,"PDBC34217","638726","Present",NA,NA
+"34218","Dichloroplatinum; 3-diphenylphosphanyl-N,N-dimethyl-propan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloroplatinum; 3-diphenylphosphanyl-N,N-dimethyl-propan-1-amine",NA,NA,NA,NA,NA,"PDBC34218","685471","Present",NA,NA
+"34219","Dichloroplatinum; 5-phenylselanyloctan-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloroplatinum; 5-phenylselanyloctan-4-amine",NA,NA,NA,NA,NA,"PDBC34219","638727","Present",NA,NA
+"34220","Dichloroplatinum; methyl N-[(E)-1-isoquinolylmethyleneamino]carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloroplatinum; methyl N-[(E)-1-isoquinolylmethyleneamino]carbamodithioate",NA,NA,NA,NA,NA,"PDBC34220","614802","Present",NA,NA
+"34221","Dichloroplatinum; trimethylsilylmethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichloroplatinum; trimethylsilylmethanamine",NA,NA,NA,NA,NA,"PDBC34221","626538","Present",NA,NA
+"34222","Dichlorotetrakis(4-chloro-1-hydroxy-3-methylbenzolato-O-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorotetrakis(4-chloro-1-hydroxy-3-methylbenzolato-O-...",NA,NA,NA,NA,NA,"PDBC34222","632805","Present",NA,NA
+"34223","Dichlorozinc;1,4,7,10-tetraza-13-phosphoniatetracyclo[5.5.1.04,13.010,13]tridecane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dichlorozinc;1,4,7,10-tetraza-13-phosphoniatetracyclo[5.5.1.04,13.010,13]tridecane",NA,NA,NA,NA,NA,"PDBC34223","629377","Present",NA,NA
+"34224","Dicopper;5-ethyl-2-oxoniobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684712",NA,"CCC1=CC(=C(C=C1)[OH2+])C(=O)[O-].CCC1=CC(=C(C=C1)[OH2+])C(=O)[O-].CCC1=CC(=C(C=C1)[OH2+])C(=O)[O-].CCC1=CC(=C(C=C1)[OH2+])C(=O)[O-].[Cu+2].[Cu+2]","DNGDXRSFQYXVQP-UHFFFAOYSA-N",54608953,NA,"PDBC34224","684712","Present",NA,NA
+"34225","Dicoumarol derivative, 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_015464",NA,"CCOC1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O","VZOCTAWZKUZTMQ-UHFFFAOYSA-N",54688728,NA,"PDBC34225","707684","Present",NA,NA
+"34226","Dicranolomin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicranolomin",NA,"C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)C4=C(C=CC(=C4O)O)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O)O","ZFNKROZSXXJHKW-UHFFFAOYSA-N",5469097,NA,"PDBC34226","683133","Present",NA,NA
+"34227","Dictyocarpine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dictyocarpine",NA,"CCN1CC2(CCC(C34C2C(C5(C31)C6(CC(C7CC4(C6C7O)O)OC)OCO5)OC(=O)C)OC)C","AIICBVJTYIFTLW-LTMFUONUSA-N",6711381,NA,"PDBC34227","624740","Present",NA,NA
+"34228","Dictyotriol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dictyotriol A",NA,"CC1=CCC2C1C(C(CC(C2=C)O)C(C)C(CC=C(C)C)O)O","QTQJXLVBOFJYKO-KNXWGQIOSA-N",13945212,NA,"PDBC34228","723998","Present",NA,NA
+"34229","Dicyanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicyanine",NA,"CCN1C(CC(=CC=CC2CC(C3CC(CCC3N2CC)OCC)C)C4=C1C=CC(=C4)OCC)C","NRXPPTLTCKGVNB-ICCHMARZSA-N",54604657,NA,"PDBC34229","403534","Present",NA,NA
+"34230","Dicyclohexyl-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-sulfanylidene-lambda5-phosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dicyclohexyl-[pyridin-3-yl(pyrrolidin-1-yl)methyl]-sulfanylidene-lambda5-phosphane",NA,"C1CCC(CC1)P(=S)(C2CCCCC2)C(C3=CN=CC=C3)N4CCCC4","FBWTYIXFANPCFM-UHFFFAOYSA-N",329203,NA,"PDBC34230","310366","Present",NA,NA
+"34231","Didanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Didanosine",NA,"C1CC(OC1CO)N2C=NC3=C2N=CNC3=O","BXZVVICBKDXVGW-UHFFFAOYSA-N",135422442,NA,"PDBC34231","612049","Present",NA,NA
+"34232","Didemnimide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Didemnimide A",NA,"C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3=O)C4=CN=CN4","HYVUONWSNKUQCE-UHFFFAOYSA-N",398493,NA,"PDBC34232","708404","Present",NA,NA
+"34233","Didemnimide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Didemnimide B",NA,"C1=CC2=C(C=C1Br)NC=C2C3=C(C(=O)NC3=O)C4=CN=CN4","JAEXYIAXFPZAAX-UHFFFAOYSA-N",398495,NA,"PDBC34233","708406","Present",NA,NA
+"34234","Didemnin A, N-L-prolyl-2-L-allothreonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"didemnin a, n-l-prolyl-2-l-allothreonine (9ci)",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","MMUFNCTVUTWOJE-LKZKYIBOSA-N",380319,NA,"PDBC34234","665803","Present",NA,NA
+"34235","Didemnin B aminomethylene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Didemnin B aminomethylene",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)CC3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","GSWPCDZSGIJEFI-RBTPVWJHSA-N",400460,NA,"PDBC34235","712199","Present",NA,NA
+"34236","Dideoxydynemicin methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dideoxydynemicin methyl ester",NA,"CC1C(=C(C2C#CC=CC#CC3C14C2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)OC)C(=O)OC","ULEYYFUGOOMZEF-MSPDUKJNSA-N",10029621,NA,"PDBC34236","679016","Present",NA,NA
+"34237","Didesmethylrocaglamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705956///NSC825721",NA,"COC1=CC=C(C=C1)C23C(C(C(C2(C4=C(O3)C=C(C=C4OC)OC)O)O)C(=O)N)C5=CC=CC=C5","RMNPQEWLGQURNX-PXIJUOARSA-N",397614,NA,"PDBC34237","705956///825721","Present",NA,NA
+"34238","Didox",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Didox",NA,"C1=CC(=C(C=C1C(=O)NO)O)O","QJMCKEPOKRERLN-UHFFFAOYSA-N",3045,NA,"PDBC34238","324360","Present",NA,NA
+"34239","Dienochlor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bi-2,4-cyclopentadien-1-yl, decachloro-",NA,"C1(=C(C(C(=C1Cl)Cl)(C2(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl)Cl","LWLJUMBEZJHXHV-UHFFFAOYSA-N",16686,NA,"PDBC34239","41880","Present",NA,NA
+"34240","Dienone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dienone B",NA,"C1=C(C(=O)C(=CC1(CC(=O)N)O)Br)Br","OPJJYFWUWHEWDE-UHFFFAOYSA-N",100324,NA,"PDBC34240","289074","Present",NA,NA
+"34241","Diepoxi acnistina-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diepoxi acnistina-A",NA,"CC12CCC3C(C1CCC2(C4CC5(CC4OC(=O)C5(C)O)C)O)CC6C7(C3(C(=O)C8C(C7)O8)C)O6","MBNGHAVGCHJKQH-OFKULWMFSA-N",381708,NA,"PDBC34241","668557","Present",NA,NA
+"34242","Diethanolamine-germane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethanolamine-germane",NA,NA,NA,NA,NA,"PDBC34242","638258","Present",NA,NA
+"34243","Diethoxoy(1,3,12,14-tetraonato) titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxoy(1,4-diphenyltetradecane-1,3,12,14-tetraonato) ...",NA,"CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)CCCCCCCCC(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]","XUUUHFBWPXONSO-UHFFFAOYSA-N",366869,NA,"PDBC34243","635906","Present",NA,NA
+"34244","Diethoxy(1,3,10,12-tetraonato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxy(1,12-diphenyldodecane-1,3,10,12- tetraonato)tit...",NA,"CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)CCCCCCC(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]","PVRFOZHCCIMYCR-UHFFFAOYSA-N",366871,NA,"PDBC34244","635909","Present",NA,NA
+"34245","Diethoxybis(1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(1,3-diphenylpropane-1,3-dionato)titanium(IV)",NA,"CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4]","YOGXMAOELFCPQC-UHFFFAOYSA-N",367473,NA,"PDBC34245","637208","Present",NA,NA
+"34246","Diethoxybis(1,4-naphthochinone-2-olato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(1,4-naphthochinone-2-olato)titanium(IV)",NA,"CC[O-].CC[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].[Ti+4]","GREWJYYQYXWYSW-UHFFFAOYSA-L",368297,NA,"PDBC34246","638842","Present",NA,NA
+"34247","Diethoxybis(1-hydroxy-anthrachinone-4-olato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(1-hydroxy-anthrachinone-4-olato)titanium(IV)",NA,"CC[O-].CC[O-].C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)[O-])O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)[O-])O.[Ti+4]","PXMRLWHQPGJTRU-UHFFFAOYSA-L",368282,NA,"PDBC34247","638751","Present",NA,NA
+"34248","Diethoxybis(1-phenylaminylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(1-phenylaminylbutane-1,3-dionato)titanium(IV)",NA,"CC[O-].CC[O-].CC(=O)[CH-]C(=O)NC1=CC=CC=C1.CC(=O)[CH-]C(=O)NC1=CC=CC=C1.[Ti+4]","UHADDROEUZBDLS-UHFFFAOYSA-N",135510149,NA,"PDBC34248","639095","Present",NA,NA
+"34249","Diethoxybis(1-phenylbutane-1,3-dionato)hafnium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(1-phenylbutane-1,3-dionato)hafnium(IV)",NA,"CC[O-].CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Hf+4]","RGGYFXMTCBBMDB-UHFFFAOYSA-N",368051,NA,"PDBC34249","638374","Present",NA,NA
+"34250","Diethoxybis(1-phenylbutane-1,3-dionato)zirconium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(1-phenylbutane-1,3-dionato)zirconium(IV)",NA,"CC[O-].CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Zr+4]","FHMWEYOGNJURDB-UHFFFAOYSA-N",368052,NA,"PDBC34250","638376","Present",NA,NA
+"34251","Diethoxybis(2,3-dioxane-4,6-dionato)titanium (IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(2,2-dimethyl-1,3-dioxane-4,6-dionato)titaniu...",NA,"CC[O-].CC[O-].CC1(OC(=CC(=O)O1)[O-])C.CC1(OC(=CC(=O)O1)[O-])C.[Ti+4]","BHCPGELNOBBOJF-UHFFFAOYSA-L",24202324,NA,"PDBC34251","638743","Present",NA,NA
+"34252","Diethoxybis(2-acetyl-1,3-indanedionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(2-acetyl-1,3-indanedionato)titanium(IV)",NA,"CC[O-].CC[O-].CC(=C1C(=O)C2=CC=CC=C2C1=O)[O-].CC(=C1C(=O)C2=CC=CC=C2C1=O)[O-].[Ti+4]","FWCHBENXTKWZKS-UHFFFAOYSA-L",368049,NA,"PDBC34252","638369","Present",NA,NA
+"34253","Diethoxybis(2-acetyl-1-hydrindonato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(2-acetyl-1-hydrindonato)titanium(IV)",NA,"CC[O-].CC[O-].CC(=C1CC2=CC=CC=C2C1=O)[O-].CC(=C1CC2=CC=CC=C2C1=O)[O-].[Ti+4]","QICWVSNCEGUBAM-JPFZJSEDSA-L",5388596,NA,"PDBC34253","637211","Present",NA,NA
+"34254","Diethoxybis(2-benzoyl-1,3-indanedionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(2-benzoyl-1,3-indanedionato)titanium(IV)",NA,"CC[O-].CC[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C2=O)[O-].[Ti+4]","QGXQZSPOCICROJ-UHFFFAOYSA-L",368061,NA,"PDBC34254","638386","Present",NA,NA
+"34255","Diethoxybis(2-phenyl-1,3-indanedionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(2-phenyl-1,3-indanedionato)titanium(IV)",NA,"CC[O-].CC[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)[O-].C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)[O-].[Ti+4]","AKOSZNKMBQJKLV-UHFFFAOYSA-L",368277,NA,"PDBC34255","638747","Present",NA,NA
+"34256","Diethoxybis(2-trimethylacetyl-1,3-indanedionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(2-trimethylacetyl-1,3-indanedionato)titanium...",NA,"CC[O-].CC[O-].CC(C)(C)C(=C1C(=O)C2=CC=CC=C2C1=O)[O-].CC(C)(C)C(=C1C(=O)C2=CC=CC=C2C1=O)[O-].[Ti+4]","HFHXGTKSQPTZCB-UHFFFAOYSA-L",368275,NA,"PDBC34256","638741","Present",NA,NA
+"34257","Diethoxybis(3-phenylpentane-2,4-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(3-phenylpentane-2,4-dionato)titanium(IV)",NA,"CC[O-].CC[O-].CC(=O)[C-](C1=CC=CC=C1)C(=O)C.CC(=O)[C-](C1=CC=CC=C1)C(=O)C.[Ti+4]","DERKXYCMLGQNGB-UHFFFAOYSA-N",368048,NA,"PDBC34257","638367","Present",NA,NA
+"34258","Diethoxybis(5-sulfochinoline-8-olato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(5-sulfochinoline-8-olato)titanium(IV)",NA,"CC[O-].CC[O-].C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].C1=CC2=C(C=CC(=C2N=C1)[O-])S(=O)(=O)[O-].[Ti+4]","NIYUOYZPHQBLCR-UHFFFAOYSA-J",24202326,NA,"PDBC34258","638840","Present",NA,NA
+"34259","Diethoxybis(6-nitroso-2-naphtholato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(6-nitroso-2-naphtholato)titanium(IV)",NA,"CC[O-].CC[O-].C1=CC2=C(C=CC(=C2)[O-])C=C1N=O.C1=CC2=C(C=CC(=C2)[O-])C=C1N=O.[Ti+4]","OXWFERGAPWRHBU-UHFFFAOYSA-L",368283,NA,"PDBC34259","638752","Present",NA,NA
+"34260","Diethoxybis(N,N-dimethyl-4-aminophenolato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(N,N-dimethyl-4-aminophenolato)titanium(IV)",NA,"CC[O-].CC[O-].CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].[Ti+4]","FIESOIXSMYMQBY-UHFFFAOYSA-L",24202325,NA,"PDBC34260","638746","Present",NA,NA
+"34261","Diethoxybis(pentane-2,4-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(pentane-2,4-dionato)titanium(IV)",NA,"CC[O-].CC[O-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ti+4]","NCGPECBXPNZPSG-UHFFFAOYSA-N",366536,NA,"PDBC34261","635151","Present",NA,NA
+"34262","Diethoxybis(thiadiazoylaminophenolato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis(thiadiazoylaminophenolato)titanium(IV)",NA,"CCO.CCO.C1=CC(=CC=C1NC2=NC=NS2)O.C1=CC(=CC=C1NC2=NC=NS2)O.[Ti]","VKDKMDMKCMCQLK-UHFFFAOYSA-N",368298,NA,"PDBC34262","638843","Present",NA,NA
+"34263","Diethoxybis[3-(1-adamantyl)-1-ethoxypropane-1,3-dionato] titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis[3-(1-adamantyl)-1-ethoxypropane-1,3-dionato]...",NA,"CC[O-].CC[O-].CCOC(=O)[CH-]C(=O)C12CC3CC(C1)CC(C3)C2.CCOC(=O)[CH-]C(=O)C12CC3CC(C1)CC(C3)C2.[Ti+4]","OMNLGXROGNRZDP-UHFFFAOYSA-N",368331,NA,"PDBC34263","639087","Present",NA,NA
+"34264","Diethoxybis{2-[phenyl(iminomethyl)]phenolato}titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethoxybis{2-[phenyl(iminomethyl)]phenolato}titanium(IV)",NA,"CC[O-].CC[O-].C1=CC=C(C=C1)N=CC2=CC=CC=C2[O-].C1=CC=C(C=C1)N=CC2=CC=CC=C2[O-].[Ti+4]","TYPNNPLGOCCCSQ-UHFFFAOYSA-L",368529,NA,"PDBC34264","639598","Present",NA,NA
+"34265","Diethoxyphosphorylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ureidophosphoric acid diethyl ester",NA,"CCOP(=O)(NC(=O)N)OCC","NCNBKABXQGFOOF-UHFFFAOYSA-N",405926,NA,"PDBC34265","723653","Present",NA,NA
+"34266","Diethyl ((diphenylmethylene)amino)methylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl ((diphenylmethylene)amino)methylphosphonate",NA,"CCOP(=O)(CN=C(C1=CC=CC=C1)C2=CC=CC=C2)OCC","NOVOZMJGMNDVGJ-UHFFFAOYSA-N",382180,NA,"PDBC34266","669639","Present",NA,NA
+"34267","Diethyl (2R)-2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (2R)-2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","KWLWMAFSJNXVEE-OAQYLSRUSA-N",380467,NA,"PDBC34267","666063","Present",NA,NA
+"34268","Diethyl (2R)-2-[[4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (2R)-2-[[4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","WNRMXJFDWZLAJB-GDSDEWBFSA-N",375036,NA,"PDBC34268","653862","Present",NA,NA
+"34269","Diethyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O","OSZHPZVUJYWBQM-VOMIJIAVSA-N",388715,NA,"PDBC34269","683775","Present",NA,NA
+"34270","Diethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-butanedioate",NA,NA,NA,NA,NA,"PDBC34270","645341","Present",NA,NA
+"34271","Diethyl (2Z)-2-[(4-chloro-2-nitro-phenyl)hydrazono]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((4-chloro-2-(hydroxy(oxido)amino)phenyl)hydrazono)pentanedioate",NA,"CCOC(=O)CCC(=NNC1=C(C=C(C=C1)Cl)[N+](=O)[O-])C(=O)OCC","DFSGRQWTPWPHOU-PDGQHHTCSA-N",6518980,NA,"PDBC34271","674702","Present",NA,NA
+"34272","Diethyl (2Z)-2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]-3-oxo-butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (2Z)-2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]-3-oxo-butanedioate",NA,"CCOC(=O)C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)C(=O)OCC","AAVHOKDVZMEXMI-NTMALXAHSA-N",3003243,NA,"PDBC34272","658338","Present",NA,NA
+"34273","Diethyl (3-fluoroanilino)(phenyl)methylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Diethoxyphosphoryl(phenyl)methyl]-3-fluoro-aniline",NA,"CCOP(=O)(C(C1=CC=CC=C1)NC2=CC(=CC=C2)F)OCC","WIIUAPPPPXMPEP-UHFFFAOYSA-N",385498,NA,"PDBC34273","676747","Present",NA,NA
+"34274","Diethyl (3Z)-2-oxo-3-[(pyridine-4-carbothioylamino)methylene]butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (3Z)-2-oxo-3-[(pyridine-4-carbothioylamino)methylene]butanedioate",NA,"CCOC(=O)C(=C(C(=O)OCC)O)C=NC(=S)C1=CC=NC=C1","KZJLLLCJEZNRGN-VBTOXBFSSA-N",135409119,NA,"PDBC34274","658502","Present",NA,NA
+"34275","Diethyl (4-(dimethylamino)phenyl)(3-fluoroanilino)methylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Diethoxyphosphoryl-(4-dimethylaminophenyl)methyl]-3-fluoro-aniline",NA,"CCOP(=O)(C(C1=CC=C(C=C1)N(C)C)NC2=CC(=CC=C2)F)OCC","MXXDGBTZXDJCPB-UHFFFAOYSA-N",385497,NA,"PDBC34275","676746","Present",NA,NA
+"34276","Diethyl (4-bromobenzylidene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DNDI1417400",NA,"CCOC(=O)C(=CC1=CC=C(C=C1)Br)C(=O)OCC","AFYSUDAWCPZFEQ-UHFFFAOYSA-N",367432,NA,"PDBC34276","637153","Present",NA,NA
+"34277","Diethyl (4-fluoroanilino)(phenyl)methylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK540348",NA,"CCOP(=O)(C(C1=CC=CC=C1)NC2=CC=C(C=C2)F)OCC","UJIFTMKGZMKICP-UHFFFAOYSA-N",385496,NA,"PDBC34277","676745","Present",NA,NA
+"34278","Diethyl (4S,5S)-4,5-dihydroxy-2E,6E-octadienedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl-(4S,5S)-4,5-bis(hydroxy)-2,6-octadienedioate",NA,"CCOC(=O)C=CC(C(C=CC(=O)OCC)O)O","RNZPLYWOUIVQAS-HXEMQSDVSA-N",5468985,NA,"PDBC34278","680770","Present",NA,NA
+"34279","Diethyl (6S,8R)-6-methyl-5,9-bis(4-nitrophenyl)-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,10,13,15-pentaene-3,11-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (6S,8R)-6-methyl-5,9-bis(4-nitrophenyl)-8-phenyl-2,4,5,9,10,12-hexazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(17),3,10,13,15-pentaene-3,11-dicarboxylate",NA,"CCOC(=O)C1=NN(C2(N1C3=CC=CC=C3N4C(=NN(C4(C2)C5=CC=CC=C5)C6=CC=C(C=C6)[N+](=O)[O-])C(=O)OCC)C)C7=CC=C(C=C7)[N+](=O)[O-]","AZSNWJZCHJVPIN-MPQUPPDSSA-N",388290,NA,"PDBC34279","682931","Present",NA,NA
+"34280","Diethyl (Boc-amino)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7V4Q8E9WWJ",NA,"CCOC(=O)C(C(=O)OCC)NC(=O)OC(C)(C)C","ULRLHEXGRUWQLQ-UHFFFAOYSA-N",382219,NA,"PDBC34280","669676","Present",NA,NA
+"34281","Diethyl (E)-2-(2,4-dioxopyrimidin-1-yl)but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (E)-2-(2,4-dioxopyrimidin-1-yl)but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)NC1=O","XYMMVIVREVUTSP-BQYQJAHWSA-N",5468900,NA,"PDBC34281","678990","Present",NA,NA
+"34282","Diethyl (E)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (E)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=NC1=O)N","SWNPGNFPLOOVBG-BQYQJAHWSA-N",5468902,NA,"PDBC34282","678993","Present",NA,NA
+"34283","Diethyl (E)-2-(5-methyl-2,4-dioxo-3-prop-2-enylpyrimidin-1-yl)but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (E)-2-(5-methyl-2,4-dioxo-3-prop-2-enylpyrimidin-1-yl)but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC=C)C","INJQKIUGLGZYOW-FMIVXFBMSA-N",5468907,NA,"PDBC34283","679004","Present",NA,NA
+"34284","Diethyl (E)-2-(6-aminopurin-9-yl)but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adenine, 9-[1,2-bis(ethoxycarbonyl)ethenyl]-, trans-",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=NC2=C(N=CN=C21)N","RXMVDZXOYSVTIX-VMPITWQZSA-N",5468903,NA,"PDBC34284","678994","Present",NA,NA
+"34285","Diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C","XJIIQYDLGGPEBE-MHWRWJLKSA-N",5469892,NA,"PDBC34285","693991","Present",NA,NA
+"34286","Diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (E)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C)C","NGINMNILOKAJNP-RQZCQDPDSA-N",5469900,NA,"PDBC34286","693999","Present",NA,NA
+"34287","Diethyl (E)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (E)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C","NSZSPICERMRNJM-SFQUDFHCSA-N",5469894,NA,"PDBC34287","693993","Present",NA,NA
+"34288","Diethyl (E)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (E)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C","MFRQIIGXALISSY-MHWRWJLKSA-N",5469893,NA,"PDBC34288","693992","Present",NA,NA
+"34289","Diethyl (E)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (E)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C","NUGBRNBQTLBKPJ-SFQUDFHCSA-N",5469895,NA,"PDBC34289","693994","Present",NA,NA
+"34290","Diethyl (Z)-(1-fluoro-2-phenylvinyl)phosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-alpha-Fluorostyryl]phosphonic acid diethyl ester",NA,"CCOP(=O)(C(=CC1=CC=CC=C1)F)OCC","VUAMDAUEABLOIX-ZRDIBKRKSA-N",5921615,NA,"PDBC34290","682310","Present",NA,NA
+"34291","Diethyl (Z)-2-(2-acetamido-6-oxo-1H-purin-9-yl)but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-(2-acetamido-6-oxo-1H-purin-9-yl)but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=NC2=C1N=C(NC2=O)NC(=O)C","MJPJOOIHYRWIFH-TWGQIWQCSA-N",135509208,NA,"PDBC34291","678995","Present",NA,NA
+"34292","Diethyl (Z)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-(4-amino-2-oxopyrimidin-1-yl)but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=NC1=O)N","SWNPGNFPLOOVBG-FPLPWBNLSA-N",5468901,NA,"PDBC34292","678992","Present",NA,NA
+"34293","Diethyl (Z)-2-[3-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-[3-[4-azido-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-2,6-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C(=O)C(=CN(C1=O)C2CC(C(O2)CO)N=[N+]=[N-])C","GFLQJWYHRKDFSF-GHXNOFRVSA-N",5470763,NA,"PDBC34293","704883","Present",NA,NA
+"34294","Diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C","XJIIQYDLGGPEBE-YBEGLDIGSA-N",5469888,NA,"PDBC34294","693987","Present",NA,NA
+"34295","Diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-[3-[[1-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)COCCOC(=O)C)C","NGINMNILOKAJNP-MFOYZWKCSA-N",5469896,NA,"PDBC34295","693995","Present",NA,NA
+"34296","Diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C","NSZSPICERMRNJM-ATVHPVEESA-N",5469890,NA,"PDBC34296","693989","Present",NA,NA
+"34297","Diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-[3-[[1-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C)C","HSFWRICAOGAAGF-WQRHYEAKSA-N",5469898,NA,"PDBC34297","693997","Present",NA,NA
+"34298","Diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C","MFRQIIGXALISSY-YBEGLDIGSA-N",5469889,NA,"PDBC34298","693988","Present",NA,NA
+"34299","Diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-[3-[[3-(2-acetyloxyethoxymethyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C)C","WTJLPHBHHWAOPN-MFOYZWKCSA-N",5469897,NA,"PDBC34299","693996","Present",NA,NA
+"34300","Diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C","NUGBRNBQTLBKPJ-ATVHPVEESA-N",5469891,NA,"PDBC34300","693990","Present",NA,NA
+"34301","Diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl (Z)-2-[3-[[3-(4-acetyloxybutyl)triazol-4-yl]methyl]-5-methyl-2,4-dioxopyrimidin-1-yl]but-2-enedioate",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C)C","SYYDYBJDOSRRFB-WQRHYEAKSA-N",5469899,NA,"PDBC34301","693998","Present",NA,NA
+"34302","Diethyl 1,1-difluoro-2-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)ethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Diethoxyphosphoryl-2,2-difluoro-ethyl)-2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridine",NA,"CCOP(=O)(C(CC1=CN=C(C2=C1COC(O2)(C)C)C)(F)F)OCC","HQTGUIPXCRAPJO-UHFFFAOYSA-N",379142,NA,"PDBC34302","663421","Present",NA,NA
+"34303","Diethyl 1,2,3,6,7,8-hexahydro-2,7-pyrenedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1,2,3,6,7,8-hexahydro-2,7-pyrenedicarboxylate",NA,"CCOC(=O)C1CC2=C3C(=CC=C4C3=C(CC(C4)C(=O)OCC)C=C2)C1","JETDWSROFTXRBR-UHFFFAOYSA-N",363410,NA,"PDBC34303","628314","Present",NA,NA
+"34304","Diethyl 1,3,2-dioxathiane-5,5-dicarboxylate 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1,3,2-dioxathiane-5,5-dicarboxylate 2-oxide",NA,"CCOC(=O)C1(COS(=O)OC1)C(=O)OCC","NPDBYXRRUQDGPW-UHFFFAOYSA-N",373713,NA,"PDBC34304","650614","Present",NA,NA
+"34305","Diethyl 1,4,7,10-tetrazacyclododecane-1,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1,4,7,10-tetraazacyclododecane-1,7-dicarboxylate",NA,"CCOC(=O)N1CCNCCN(CCNCC1)C(=O)OCC","SIUKZWPJXGDBKB-UHFFFAOYSA-N",387349,NA,"PDBC34305","681103","Present",NA,NA
+"34306","Diethyl 1,6-dihydropyrrolo[2,3-e]indole-2,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1,6-dihydropyrrolo[2,3-e]indole-2,7-dicarboxylate",NA,"CCOC(=O)C1=CC2=C(N1)C3=C(C=C2)NC(=C3)C(=O)OCC","CVFUUPDCCYVRID-UHFFFAOYSA-N",389557,NA,"PDBC34306","685862","Present",NA,NA
+"34307","Diethyl 1-(((cyanoamino)carbonyl)oxy)-1-methylethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377724",NA,"CCOP(=O)(C(C)(C)OC(=O)NC#N)OCC","HZMXAFKHWPRSQU-UHFFFAOYSA-N",382507,NA,"PDBC34307","670114","Present",NA,NA
+"34308","Diethyl 1-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)(methyl)amino)-2-methylpropylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[2-[(1-diethoxyphosphoryl-2-methylpropyl)-methylamino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)N(C)C(C(C)C)P(=O)(OCC)OCC","NICZZHNMWYKNJJ-UHFFFAOYSA-N",383548,NA,"PDBC34308","671966","Present",NA,NA
+"34309","Diethyl 1-((diphenylmethylene)amino)-2-phenylethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-((diphenylmethylene)amino)-2-phenylethylphosphonate",NA,"CCOP(=O)(C(CC1=CC=CC=C1)N=C(C2=CC=CC=C2)C3=CC=CC=C3)OCC","WLRUOTVHVFBTLE-UHFFFAOYSA-N",382230,NA,"PDBC34309","669685","Present",NA,NA
+"34310","Diethyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC)OCC","LNBKHNFBZUZDFR-UHFFFAOYSA-N",383543,NA,"PDBC34310","671961","Present",NA,NA
+"34311","Diethyl 1-((fluoro((trifluoromethyl)imino)methyl)(methyl)amino)-1-methylethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Diethoxyphosphorylpropan-2-yl)-N-methyl-N'-(trifluoromethyl)carbamimidoyl fluoride",NA,"CCOP(=O)(C(C)(C)N(C)C(=NC(F)(F)F)F)OCC","BLNPJABOSUBJNU-OVCLIPMQSA-N",9556168,NA,"PDBC34311","670089","Present",NA,NA
+"34312","Diethyl 1-(1'-naphthyl)-1-(diphenylmethylamino)-methanephosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-(1'-naphthyl)-1-(diphenylmethylamino)-methanep...",NA,"CCOP(=O)(C(C1=CC=CC2=CC=CC=C21)NC(C3=CC=CC=C3)C4=CC=CC=C4)OCC","AYWDCPIOHASCIC-UHFFFAOYSA-N",24204395,NA,"PDBC34312","731721","Present",NA,NA
+"34313","Diethyl 1-(3'-thienyl)-1-(diphenylmethylamino)-methanephosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-(3'-thienyl)-1-(diphenylmethylamino)-methaneph...",NA,"CCOP(=O)(C(C1=CSC=C1)NC(C2=CC=CC=C2)C3=CC=CC=C3)OCC","MRYZRJZWTBURMD-UHFFFAOYSA-N",24204396,NA,"PDBC34313","731722","Present",NA,NA
+"34314","Diethyl 1-(4-ethoxy-4-oxobutyl)triazole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-(4-ethoxy-4-oxobutyl)-1h-1,2,3-triazole-4,5-dicarboxylate",NA,"CCOC(=O)CCCN1C(=C(N=N1)C(=O)OCC)C(=O)OCC","NBOBHIZTHFROQM-UHFFFAOYSA-N",386528,NA,"PDBC34314","678960","Present",NA,NA
+"34315","Diethyl 1-(4-hydroxybutyl)triazole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-(4-hydroxybutyl)-1h-1,2,3-triazole-4,5-dicarboxylate",NA,"CCOC(=O)C1=C(N(N=N1)CCCCO)C(=O)OCC","RLHPQEPXDTXLTK-UHFFFAOYSA-N",386529,NA,"PDBC34315","678961","Present",NA,NA
+"34316","Diethyl 1-(4-isopropylphenyl)-1-(diphenylmethylamino)-methanephospho nate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-(4-isopropylphenyl)-1-(diphenylmethylamino)-me...",NA,"CCOP(=O)(C(C1=CC=C(C=C1)C(C)C)NC(C2=CC=CC=C2)C3=CC=CC=C3)OCC","RIEIMLVRKSHFKF-UHFFFAOYSA-N",24204779,NA,"PDBC34316","732918","Present",NA,NA
+"34317","Diethyl 1-(ethoxy(oxo)acetyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-(ethoxy(oxo)acetyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate",NA,"CCOC(=O)C1=C(N(C(=C(C1)C(=O)OCC)C)C(=O)C(=O)OCC)C","YDOMTEZPKRUOCO-UHFFFAOYSA-N",377058,NA,"PDBC34317","658273","Present",NA,NA
+"34318","Diethyl 1-[15-[2,5-bis(ethoxycarbonyl)pyrrol-1-yl]-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaen-7-yl]pyrrole-2,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-[15-[2,5-bis(ethoxycarbonyl)pyrrol-1-yl]-3,11-dithiatricyclo[11.3.1.15,9]octadeca-1(17),5(18),6,8,13,15-hexaen-7-yl]pyrrole-2,5-dicarboxylate",NA,"CCOC(=O)C1=CC=C(N1C2=CC3=CC(=C2)CSCC4=CC(=CC(=C4)CSC3)N5C(=CC=C5C(=O)OCC)C(=O)OCC)C(=O)OCC","UJVOJEGGNSDTJM-UHFFFAOYSA-N",378543,NA,"PDBC34318","661177","Present",NA,NA
+"34319","Diethyl 1-aminothieno[3,2-a]indolizine-2,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3-aminothieno[3,2-a]indolizine-2,9-dicarboxylate",NA,"CCOC(=O)C1=C2C(=C3N1C=CC=C3)C(=C(S2)C(=O)OCC)N","VMJHAFOOHPPYGP-UHFFFAOYSA-N",360880,NA,"PDBC34319","623586","Present",NA,NA
+"34320","Diethyl 1-benzamido-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-benzamido-6a-hydroxy-2-methyl-5,6-dihydro-4H-cyclopenta[b]pyrrole-3,3a-dicarboxylate",NA,"CCOC(=O)C1=C(N(C2(C1(CCC2)C(=O)OCC)O)NC(=O)C3=CC=CC=C3)C","HLYXAXFDCUQPMV-UHFFFAOYSA-N",367824,NA,"PDBC34320","637899","Present",NA,NA
+"34321","Diethyl 1-benzyl-4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-benzyl-4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate",NA,"CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2O)C(=O)OCC)C)CC3=CC=CC=C3)C","UTHMPSYIYGYNOS-UHFFFAOYSA-N",367769,NA,"PDBC34321","637708","Present",NA,NA
+"34322","Diethyl 1-ethyl-3-phenyl-1,3-diazinane-5,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-ethyl-3-phenyl-1,3-diazinane-5,5-dicarboxylate",NA,"CCN1CC(CN(C1)C2=CC=CC=C2)(C(=O)OCC)C(=O)OCC","OGWRZIKWNNEAKG-UHFFFAOYSA-N",399772,NA,"PDBC34322","710867","Present",NA,NA
+"34323","Diethyl 1-hexynyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-hexynyl phosphate",NA,"CCCCC#COP(=O)(OCC)OCC","SRHMQOZWLWWSEC-UHFFFAOYSA-N",371541,NA,"PDBC34323","645869","Present",NA,NA
+"34324","Diethyl 1-methyl-1-((3,3,3-trifluoro-2-(trifluoromethyl)propanoyl)amino)propylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670108///NSC670112",NA,"CCC(C)(NC(=O)C(C(F)(F)F)C(F)(F)F)P(=O)(OCC)OCC","AXLQQLMINZHZAL-UHFFFAOYSA-N",382502,NA,"PDBC34324","670108///670112","Present",NA,NA
+"34325","Diethyl 1-methyl-1-((6-oxo-4,4-bis(trifluoromethyl)-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl)amino)propylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Diethoxyphosphorylbutan-2-ylamino)-4,4-bis(trifluoromethyl)-1,3-dihydro-1,3,5-triazin-2-one",NA,"CCC(C)(NC1=NC(NC(=O)N1)(C(F)(F)F)C(F)(F)F)P(=O)(OCC)OCC","BGMLAPJXCULMRW-UHFFFAOYSA-N",382489,NA,"PDBC34325","670095","Present",NA,NA
+"34326","Diethyl 1-phenyl-1-(diphenylmethylamino)-methanephosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-phenyl-1-(diphenylmethylamino)-methanephosphonate",NA,"CCOP(=O)(C(C1=CC=CC=C1)NC(C2=CC=CC=C2)C3=CC=CC=C3)OCC","XONOQQSOIRLVGU-UHFFFAOYSA-N",12753798,NA,"PDBC34326","732917","Present",NA,NA
+"34327","Diethyl 1-propynyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 1-propynyl phosphate",NA,"CCOP(=O)(OCC)OC#CC","FEOYLGMPNDAVQV-UHFFFAOYSA-N",371540,NA,"PDBC34327","645868","Present",NA,NA
+"34328","Diethyl 2,2-bis(2,3-dihydro-1H-inden-5-ylmethyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2,2-bis(2,3-dihydro-1H-inden-5-ylmethyl)malonate",NA,"CCOC(=O)C(CC1=CC2=C(CCC2)C=C1)(CC3=CC4=C(CCC4)C=C3)C(=O)OCC","LNDPOFBAESHPRZ-UHFFFAOYSA-N",382778,NA,"PDBC34328","670456","Present",NA,NA
+"34329","Diethyl 2,2-bis(2-(methylthio)ethyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2,2-bis(2-(methylthio)ethyl)malonate",NA,"CCOC(=O)C(CCSC)(CCSC)C(=O)OCC","WBYILSBIIYPUTF-UHFFFAOYSA-N",382344,NA,"PDBC34329","669813","Present",NA,NA
+"34330","Diethyl 2,2-bis(methylsulfonyloxymethyl)propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM440125031",NA,"CCOC(=O)C(COS(=O)(=O)C)(COS(=O)(=O)C)C(=O)OCC","IPNRYBPVZHCTJL-UHFFFAOYSA-N",373712,NA,"PDBC34330","650613","Present",NA,NA
+"34331","Diethyl 2,2-bis[2-(9-benzylpurin-6-yl)ethyl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl bis[2-(9-benzyl-9h-purin-6-yl)ethyl]propanedioate",NA,"CCOC(=O)C(CCC1=C2C(=NC=N1)N(C=N2)CC3=CC=CC=C3)(CCC4=C5C(=NC=N4)N(C=N5)CC6=CC=CC=C6)C(=O)OCC","WWVMVPXVKOWTOB-UHFFFAOYSA-N",400554,NA,"PDBC34331","712675","Present",NA,NA
+"34332","Diethyl 2,5-dimethoxybenzylidene-malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2,5-dimethoxybenzylidene-malonate",NA,"CCOC(=O)C(=CC1=C(C=CC(=C1)OC)OC)C(=O)OCC","SDKURJSMAYMSOF-UHFFFAOYSA-N",81758,NA,"PDBC34332","643026","Present",NA,NA
+"34333","Diethyl 2,5-diphenyl-3,4-furandicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WFKFIXFIBUDTCF-UHFFFAOYSA-N",NA,"CCOC(=O)C1=C(OC(=C1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3","WFKFIXFIBUDTCF-UHFFFAOYSA-N",363404,NA,"PDBC34333","628308","Present",NA,NA
+"34334","Diethyl 2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-6,12-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-6,12-dicarboxylate",NA,"CCOC(=O)C1=CC=C2N1C(=O)C3=CC=C(N3C2=O)C(=O)OCC","JRLKANWIFXXGCT-UHFFFAOYSA-N",393301,NA,"PDBC34334","694966","Present",NA,NA
+"34335","Diethyl 2-((((2,6-diethylanilino)carbothioyl)amino)methylene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((((2,6-diethylanilino)carbothioyl)amino)methylene)malonate",NA,"CCC1=C(C(=CC=C1)CC)NC(=S)NC=C(C(=O)OCC)C(=O)OCC","ATAZLRNUSIIPSO-UHFFFAOYSA-N",3004563,NA,"PDBC34335","658346","Present",NA,NA
+"34336","Diethyl 2-((((2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl)amino)carbonyl)amino)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((((2-ethoxy-1-(ethoxycarbonyl)-2-oxoethyl)amino)carbonyl)amino)malonate",NA,"CCOC(=O)C(C(=O)OCC)NC(=O)NC(C(=O)OCC)C(=O)OCC","JQQZRMIATFDHKP-UHFFFAOYSA-N",381461,NA,"PDBC34336","668048","Present",NA,NA
+"34337","Diethyl 2-(((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)methylene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(((1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxoethyl)amino)methylene)malonate",NA,"CCOC(=O)C(=CNC(CC1=CNC2=CC=CC=C21)C(=O)OC)C(=O)OCC","SJWOGAJOJUFWFM-UHFFFAOYSA-N",361132,NA,"PDBC34337","623958","Present",NA,NA
+"34338","Diethyl 2-(((4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(((4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)amino)pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)N1CCN(CC1)C2=C(N=C(NC2=O)C)C","UCTNMOCCFFBWEJ-UHFFFAOYSA-N",135489785,NA,"PDBC34338","673106","Present",NA,NA
+"34339","Diethyl 2-((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","YCHJBXHLWNTRGE-UHFFFAOYSA-N",382254,NA,"PDBC34339","669709","Present",NA,NA
+"34340","Diethyl 2-((2-(((benzyloxy)carbonyl)amino)-5-ethoxy-5-oxopentanoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((2-(((benzyloxy)carbonyl)amino)-5-ethoxy-5-oxopentanoyl)amino)pentanedioate",NA,"CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)OCC1=CC=CC=C1","LALHHNVMESHQTI-UHFFFAOYSA-N",382252,NA,"PDBC34340","669707","Present",NA,NA
+"34341","Diethyl 2-((2-((2-((tert-butoxycarbonyl)amino)-3-(4-(hydroxy(oxido)amino)phenyl)propanoyl)amino)-5-ethoxy-5-oxopentanoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[5-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C","XYQVBELJIOSBRO-UHFFFAOYSA-N",381613,NA,"PDBC34341","668426","Present",NA,NA
+"34342","Diethyl 2-((2-methyl-3-pyridinyl)methylene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((2-methyl-3-pyridinyl)methylene)malonate",NA,"CCOC(=O)C(=CC1=C(N=CC=C1)C)C(=O)OCC","QOBCAAXPMYXQJL-UHFFFAOYSA-N",371014,NA,"PDBC34342","644876","Present",NA,NA
+"34343","Diethyl 2-((2-thioxo-1-imidazolidinyl)methylene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((2-thioxo-1-imidazolidinyl)methylene)malonate",NA,"CCOC(=O)C(=CN1CCNC1=S)C(=O)OCC","ZJLNZPFAENSGCS-UHFFFAOYSA-N",3004572,NA,"PDBC34343","658482","Present",NA,NA
+"34344","Diethyl 2-((4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)methylene)-3-oxosuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((4,6-dioxo-2-thioxotetrahydro-1(2H)-pyrimidinyl)methylene)-3-oxosuccinate",NA,"CCOC(=O)C(=CN1C(=O)CC(=O)NC1=S)C(=O)C(=O)OCC","PMMMDWHZOQYWLX-SREVYHEPSA-N",3004567,NA,"PDBC34344","658352","Present",NA,NA
+"34345","Diethyl 2-((4-(((3-chloro-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((4-(((3-chloro-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)amino)pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","KZWNLSQQEKHGIO-UHFFFAOYSA-N",373186,NA,"PDBC34345","649150","Present",NA,NA
+"34346","Diethyl 2-((4-(((3-phenyl-2-quinoxalinyl)methylene)amino)benzoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((4-(((3-phenyl-2-quinoxalinyl)methylene)amino)benzoyl)amino)pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N=CC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4","ATWWJNVJSZJZOT-UHFFFAOYSA-N",371582,NA,"PDBC34346","645932","Present",NA,NA
+"34347","Diethyl 2-((4-(((3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzyl)amino)succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((4-(((3-phenyl-6-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzyl)amino)succinate",NA,"CCOC(=O)CC(C(=O)OCC)NCC1=CC=C(C=C1)N=CC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","PWOHERWIVGQWPT-UHFFFAOYSA-N",374160,NA,"PDBC34347","651629","Present",NA,NA
+"34348","Diethyl 2-((4-(((3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methylene)amino)benzoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methylideneamino]benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N=CC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","ZLLPWAXAXGKTGC-UHFFFAOYSA-N",371165,NA,"PDBC34348","645166","Present",NA,NA
+"34349","Diethyl 2-((4-((2,3-dimethoxy-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((4-((2,3-dimethoxy-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","DIVIVNXAJXZRSB-UHFFFAOYSA-N",380872,NA,"PDBC34349","666615","Present",NA,NA
+"34350","Diethyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","OENAGNLKSKDYCC-UHFFFAOYSA-N",389674,NA,"PDBC34350","686051","Present",NA,NA
+"34351","Diethyl 2-((4-((3-chloro-2-phenyl-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((4-((3-chloro-2-phenyl-6-quinoxalinyl)methoxy)benzoyl)amino)pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","WCBYIOYCMJWSHC-UHFFFAOYSA-N",392811,NA,"PDBC34351","693767","Present",NA,NA
+"34352","Diethyl 2-((4-(3-chloro-4-fluoro(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)anilino)anilino)methylene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-(3-chloro-4-fluoro-N-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)anilino)anilino]methylidene]propanedioate",NA,"CCOC(=O)C(=CNC1=CC=C(C=C1)N(C2=CC(=C(C=C2)F)Cl)C3=NCC(S3)C)C(=O)OCC","XZGUYQJTBGMSGR-UHFFFAOYSA-N",389168,NA,"PDBC34352","684852","Present",NA,NA
+"34353","Diethyl 2-((4-(4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl)benzoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((4-(4-(2,4-diamino-6-methyl-5-pyrimidinyl)-1-piperazinyl)benzoyl)amino)pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C(N=C(N=C3N)N)C","WVSLQHBCGPJMOC-UHFFFAOYSA-N",391856,NA,"PDBC34353","691519","Present",NA,NA
+"34354","Diethyl 2-(1,4,4a,5,7,11b-hexahydrobenzo[d][2]benzoxepin-4-yl)propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(1,4,4a,5,7,11b-hexahydrobenzo[d][2]benzoxepin-4-yl)propanedioate",NA,"CCOC(=O)C(C1C=CCC2C1COCC3=CC=CC=C23)C(=O)OCC","HLVBAEFCAASWFV-UHFFFAOYSA-N",6712804,NA,"PDBC34354","713787","Present",NA,NA
+"34355","Diethyl 2-(2,4-dioxopyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)-3-[(2-hydroxyethyl)sulfanyl]butanedioate",NA,"CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=CC(=O)NC1=O","XQNVZIILBXADRV-UHFFFAOYSA-N",386559,NA,"PDBC34355","678996","Present",NA,NA
+"34356","Diethyl 2-(2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)ethyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(2-(3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-8-yl)ethyl)malonate",NA,"CCOC(=O)C(CCN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C)C(=O)OCC","WRXQBADSHWKVSI-UHFFFAOYSA-N",380316,NA,"PDBC34356","665795","Present",NA,NA
+"34357","Diethyl 2-(2-acetamido-6-oxo-1H-purin-9-yl)-3-(2-hydroxyethylsulfanyl)butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[2-(acetylamino)-6-oxo-3,6-dihydro-9h-purin-9-yl]-3-[(2-hydroxyethyl)sulfanyl]butanedioate",NA,"CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=NC2=C1N=C(NC2=O)NC(=O)C","ZPNQTZLUEDWJBS-UHFFFAOYSA-N",135489808,NA,"PDBC34357","679000","Present",NA,NA
+"34358","Diethyl 2-(2-benzoylbenzoyl)propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl(2-benzoylbenzoyl)propanedioate",NA,"CCOC(=O)C(C(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2)C(=O)OCC","BWLHSZBJTHEGJQ-UHFFFAOYSA-N",282445,NA,"PDBC34358","135923","Present",NA,NA
+"34359","Diethyl 2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(2-hydroxyethylsulfanyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)butanedioate",NA,"CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=C(C(=O)NC1=O)C","RIIWRFCCEWJCCI-UHFFFAOYSA-N",386560,NA,"PDBC34359","678997","Present",NA,NA
+"34360","Diethyl 2-(2-methoxy-1-methyl-2-oxoethylidene)-3,6-dihydro-2H-1,3-thiazine-5,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(2-methoxy-1-methyl-2-oxoethylidene)-3,6-dihydro-2H-1,3-thiazine-5,6-dicarboxylate",NA,"CCOC(=O)C1C(=CNC(=C(C)C(=O)OC)S1)C(=O)OCC","CDSGPNSMBUWSBF-DHZHZOJOSA-N",3005309,NA,"PDBC34360","689732","Present",NA,NA
+"34361","Diethyl 2-(2-nitrobenzylidene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC27702",NA,"CCOC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OCC","BLHLIGAACQEKRY-UHFFFAOYSA-N",231460,NA,"PDBC34361","27702","Present",NA,NA
+"34362","Diethyl 2-(3,3-diphenyl-1,2-propadienylidene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(3,3-diphenyl-1,2-propadienylidene)malonate",NA,"CCOC(=O)C(=C=C=C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)OCC","CJSCJCJBHFJLHN-UHFFFAOYSA-N",362475,NA,"PDBC34362","626426","Present",NA,NA
+"34363","Diethyl 2-(3,4-dimethoxyphenyl)-1-((diphenylmethylene)amino)ethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(3,4-dimethoxyphenyl)-1-((diphenylmethylene)amino)ethylphosphonate",NA,"CCOP(=O)(C(CC1=CC(=C(C=C1)OC)OC)N=C(C2=CC=CC=C2)C3=CC=CC=C3)OCC","BNLONRUWFBDFIE-UHFFFAOYSA-N",382131,NA,"PDBC34363","669577","Present",NA,NA
+"34364","Diethyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-hydroxymalonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(3,5-di-tert-butyl-4-hydroxyphenyl)-2-hydroxymalonate",NA,"CCOC(=O)C(C1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)(C(=O)OCC)O","YVGAGNKRDJQRDI-UHFFFAOYSA-N",386886,NA,"PDBC34364","679744","Present",NA,NA
+"34365","Diethyl 2-(3-(1-hydroxy-2-naphthyl)-3-oxopropyl)-3-oxosuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(3-(1-hydroxy-2-naphthyl)-3-oxopropyl)-3-oxosuccinate",NA,"CCOC(=O)C(CCC(=O)C1=C(C2=CC=CC=C2C=C1)O)C(=O)C(=O)OCC","RKHDSCFUZNLTJV-UHFFFAOYSA-N",373347,NA,"PDBC34365","649563","Present",NA,NA
+"34366","Diethyl 2-(3-chlorobenzylidene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASZSQVRNXYEROB-UHFFFAOYSA-N",NA,"CCOC(=O)C(=CC1=CC(=CC=C1)Cl)C(=O)OCC","ASZSQVRNXYEROB-UHFFFAOYSA-N",367434,NA,"PDBC34366","637155","Present",NA,NA
+"34367","Diethyl 2-(3-oxobutyl)-2-prop-2-enylpropanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TYOZBBKPLIZOAL-UHFFFAOYSA-N",NA,"CCOC(=O)C(CCC(=O)C)(CC=C)C(=O)OCC","TYOZBBKPLIZOAL-UHFFFAOYSA-N",389880,NA,"PDBC34367","686508","Present",NA,NA
+"34368","Diethyl 2-(3-phenyl-1H-inden-1-ylidene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(3-phenyl-1H-inden-1-ylidene)malonate",NA,"CCOC(=O)C(=C1C=C(C2=CC=CC=C21)C3=CC=CC=C3)C(=O)OCC","LGKIQRFAWFVVKY-UHFFFAOYSA-N",362476,NA,"PDBC34368","626427","Present",NA,NA
+"34369","Diethyl 2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)malonate",NA,"CCOC(=O)C(=C1N(C(=NC2=CC=CC=C2)C(=NC3=CC=CC=C3)S1)C4=CC=CC=C4)C(=O)OCC","DSIXTMBNWMGAHV-UHFFFAOYSA-N",383252,NA,"PDBC34369","671366","Present",NA,NA
+"34370","Diethyl 2-(4-(3-ethoxy-2-(ethoxycarbonyl)-3-oxopropyl)-2,5-dimethoxybenzyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(4-(3-ethoxy-2-(ethoxycarbonyl)-3-oxopropyl)-2,5-dimethoxybenzyl)malonate",NA,"CCOC(=O)C(CC1=CC(=C(C=C1OC)CC(C(=O)OCC)C(=O)OCC)OC)C(=O)OCC","WDWSEYBZJVGBMV-UHFFFAOYSA-N",361841,NA,"PDBC34370","625157","Present",NA,NA
+"34371","Diethyl 2-(4-(allyloxy)-3-methoxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(4-(allyloxy)-3-methoxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate",NA,"CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC(=C(C=C2)OCC=C)OC","CRRWQWUFWSNPQG-UHFFFAOYSA-N",386762,NA,"PDBC34371","679441","Present",NA,NA
+"34372","Diethyl 2-(4-(dimethylamino)phenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(4-(dimethylamino)phenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate",NA,"CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C(=O)OCC)C3=CC=C(C=C3)N(C)C","VFUJCGSMUUQBOA-UHFFFAOYSA-N",386767,NA,"PDBC34372","679446","Present",NA,NA
+"34373","Diethyl 2-(4-Methoxybenzyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6597AJ",NA,"CCOC(=O)C(CC1=CC=C(C=C1)OC)C(=O)OCC","VOUQVWQRJJVRFU-UHFFFAOYSA-N",232045,NA,"PDBC34373","29070","Present",NA,NA
+"34374","Diethyl 2-(4-amino-2-oxopyrimidin-1-yl)-3-(2-hydroxyethylsulfanyl)butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(4-amino-2-oxopyrimidin-1(2h)-yl)-3-[(2-hydroxyethyl)sulfanyl]butanedioate",NA,"CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=CC(=NC1=O)N","XZWBNFSXIWTASY-UHFFFAOYSA-N",386562,NA,"PDBC34374","678999","Present",NA,NA
+"34375","Diethyl 2-(4-cyanobenzylidene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(4-cyanobenzylidene)malonate",NA,"CCOC(=O)C(=CC1=CC=C(C=C1)C#N)C(=O)OCC","OORCRIPKMJSZNC-UHFFFAOYSA-N",367442,NA,"PDBC34375","637164","Present",NA,NA
+"34376","Diethyl 2-(6-aminopurin-9-yl)-3-(2-hydroxyethylsulfanyl)butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(6-amino-9h-purin-9-yl)-3-[(2-hydroxyethyl)sulfanyl]butanedioate",NA,"CCOC(=O)C(C(C(=O)OCC)SCCO)N1C=NC2=C(N=CN=C21)N","VWIROSQJACUKSW-UHFFFAOYSA-N",386561,NA,"PDBC34376","678998","Present",NA,NA
+"34377","Diethyl 2-([1,1'-biphenyl]-4-ylmethylene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-([1,1'-biphenyl]-4-ylmethylene)malonate",NA,"CCOC(=O)C(=CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)OCC","SIQFBETXJAVNCI-UHFFFAOYSA-N",367428,NA,"PDBC34377","637148","Present",NA,NA
+"34378","Diethyl 2-(acetylamino)-2-(9-anthrylmethyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(acetylamino)-2-(9-anthrylmethyl)malonate",NA,"CCOC(=O)C(CC1=C2C=CC=CC2=CC3=CC=CC=C31)(C(=O)OCC)NC(=O)C","YNHFVRRXXNLNJF-UHFFFAOYSA-N",380794,NA,"PDBC34378","666514","Present",NA,NA
+"34379","Diethyl 2-(chloromethyl)bicyclo[2.2.1]heptane-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(chloromethyl)bicyclo[2.2.1]heptane-2,3-dicarboxylate",NA,"CCOC(=O)C1C2CCC(C2)C1(CCl)C(=O)OCC","QYQOVUFURCXWEJ-UHFFFAOYSA-N",372437,NA,"PDBC34379","647551","Present",NA,NA
+"34380","Diethyl 2-(methylsulfonyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-(methylsulfonyl)malonate",NA,"CCOC(=O)C(C(=O)OCC)S(=O)(=O)C","JMCQBFCJYBBIQL-UHFFFAOYSA-N",373263,NA,"PDBC34380","649415","Present",NA,NA
+"34381","Diethyl 2-({4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]anilino}methylene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Propanedioic acid, 2-[[4-[[(4,5-dihydro-5-methyl-2-t...",NA,"CCOC(=O)C(=CNC1=CC=C(C=C1)NC2=NCC(S2)C)C(=O)OCC","IBDZMXGKNQLYAW-UHFFFAOYSA-N",389166,NA,"PDBC34381","684850","Present",NA,NA
+"34382","Diethyl 2-[(2-bromophenyl)methylidene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZZDNKHNYMZVZGJ-UHFFFAOYSA-N",NA,"CCOC(=O)C(=CC1=CC=CC=C1Br)C(=O)OCC","ZZDNKHNYMZVZGJ-UHFFFAOYSA-N",246693,NA,"PDBC34382","60064","Present",NA,NA
+"34383","Diethyl 2-[(2-phenyl-1H-indol-3-yl)methylidene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[(2-phenyl-1H-indol-3-yl)methylidene]propanedioate",NA,"CCOC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C(=O)OCC","AXSHIOSWRCGLLB-UHFFFAOYSA-N",13266383,NA,"PDBC34383","749024","Present",NA,NA
+"34384","Diethyl 2-[(3,4-difluoroanilino)methylidene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK700800",NA,"CCOC(=O)C(=CNC1=CC(=C(C=C1)F)F)C(=O)OCC","DJHBWAZSUKREIR-UHFFFAOYSA-N",389167,NA,"PDBC34384","684851","Present",NA,NA
+"34385","Diethyl 2-[(3-aminopyridin-2-yl)-methylhydrazinylidene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl[(3-aminopyridin-2-yl)(methyl)hydrazono]propanedioate",NA,"CCOC(=O)C(=NN(C)C1=C(C=CC=N1)N)C(=O)OCC","OBWRTBIJSHQIPJ-UHFFFAOYSA-N",403845,NA,"PDBC34385","719379","Present",NA,NA
+"34386","Diethyl 2-[(4-sulfamoylanilino)methylene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL326174",NA,"CCOC(=O)C(=CNC1=CC=C(C=C1)S(=O)(=O)N)C(=O)OCC","LPDIOFUETVAFIF-UHFFFAOYSA-N",389164,NA,"PDBC34386","684848","Present",NA,NA
+"34387","Diethyl 2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[(6-nitro-2-thioxo-3H-benzimidazol-1-yl)methylene]propanedioate",NA,"CCOC(=O)C(=CN1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=S)C(=O)OCC","JKSMSWNEXVFQFQ-UHFFFAOYSA-N",3004560,NA,"PDBC34387","658341","Present",NA,NA
+"34388","Diethyl 2-[(E)-2-oxo-4-phenylbut-3-enyl]-2H-benzimidazole-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[(E)-2-oxo-4-phenylbut-3-enyl]-2H-benzimidazole-1,3-dicarboxylate",NA,"CCOC(=O)N1C(N(C2=CC=CC=C21)C(=O)OCC)CC(=O)C=CC3=CC=CC=C3","MWUKCMQQEKWNBS-CCEZHUSRSA-N",5471323,NA,"PDBC34388","710445","Present",NA,NA
+"34389","Diethyl 2-[4-(5-[(11aS)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypentyl)piperazino]ethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diethyl 2-[4-(5-[(11aS)-7-methoxy-5-oxo-2,3,5,11a-tetrah...",NA,"CCOP(=O)(CCN1CCN(CC1)CCCCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)OCC","COOVHJHQCPOPQQ-QHCPKHFHSA-N",25113728,NA,"PDBC34389","744025","Present",NA,NA
+"34390","Diethyl 2-[5-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[5-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)N1C2=C(C=C(C=C2)NC3=C([N+](=C4C=C(C=CC4=[N+]3[O-])Cl)[O-])C)N=N1","PZTKLWDUJNVYHB-UHFFFAOYSA-N",135426800,NA,"PDBC34390","718666","Present",NA,NA
+"34391","Diethyl 2-[5-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[5-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)N1N=C2C=CC(=CC2=N1)NC3=C([N+](=C4C=C(C=CC4=[N+]3[O-])Cl)[O-])C","ZAWSLTUZJJAGOM-UHFFFAOYSA-N",135426797,NA,"PDBC34391","718663","Present",NA,NA
+"34392","Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)N1C2=C(C=C(C=C2)NC3=C([N+](=C4C=CC(=CC4=[N+]3[O-])Cl)[O-])C)N=N1","JNWRCFBPRVBLCL-UHFFFAOYSA-N",135426799,NA,"PDBC34392","718665","Present",NA,NA
+"34393","Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[5-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)N1N=C2C=CC(=CC2=N1)NC3=C([N+](=C4C=CC(=CC4=[N+]3[O-])Cl)[O-])C","CGIDNMPQGASTPI-UHFFFAOYSA-N",135426796,NA,"PDBC34393","718662","Present",NA,NA
+"34394","Diethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,"CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=C(C=C3)N(N=N4)C(CCC(=O)OCC)C(=O)OCC)[O-])F","ZOTVCSHLJIYWAH-UHFFFAOYSA-N",135426798,NA,"PDBC34394","718664","Present",NA,NA
+"34395","Diethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]pentanedioate",NA,"CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=NN(N=C4C=C3)C(CCC(=O)OCC)C(=O)OCC)[O-])F","ZQCRJNWLJHDCGW-UHFFFAOYSA-N",135426795,NA,"PDBC34395","718661","Present",NA,NA
+"34396","Diethyl 2-[6-(1-benzofuran-2-yl)-3-cyano-2-oxopyran-4-yl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl[6-(1-benzofuran-2-yl)-3-cyano-2-oxo-2h-pyran-4-yl]propanedioate",NA,"CCOC(=O)C(C1=C(C(=O)OC(=C1)C2=CC3=CC=CC=C3O2)C#N)C(=O)OCC","RJFPHBQUZFEDTA-UHFFFAOYSA-N",360618,NA,"PDBC34396","622923","Present",NA,NA
+"34397","Diethyl 2-[6-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[6-[(6-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)N1C2=C(C=CC(=C2)NC3=C([N+](=C4C=C(C=CC4=[N+]3[O-])Cl)[O-])C)N=N1","DDMPVAOCUKWLEW-UHFFFAOYSA-N",135426803,NA,"PDBC34397","718669","Present",NA,NA
+"34398","Diethyl 2-[6-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[6-[(7-chloro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)N1C2=C(C=CC(=C2)NC3=C([N+](=C4C=CC(=CC4=[N+]3[O-])Cl)[O-])C)N=N1","ADEZHPXFYZPINY-UHFFFAOYSA-N",135426802,NA,"PDBC34398","718668","Present",NA,NA
+"34399","Diethyl 2-[6-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[6-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]pentanedioate",NA,"CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=C(C=C3)N=NN4C(CCC(=O)OCC)C(=O)OCC)[O-])F","OLRQMSUIGKEBLA-UHFFFAOYSA-N",135426801,NA,"PDBC34399","718667","Present",NA,NA
+"34400","Diethyl 2-[[2-[4-(3-phenylquinoxalin-2-yl)oxyphenyl]acetyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[2-[4-(3-phenylquinoxalin-2-yl)oxyphenyl]acetyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4","VYAGHMQLWXEYKW-UHFFFAOYSA-N",401480,NA,"PDBC34400","715138","Present",NA,NA
+"34401","Diethyl 2-[[2-[4-[(3-ethoxycarbonyl-6,7-difluoroquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[2-[4-[(3-ethoxycarbonyl-6,7-difluoroquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC(=C(C=C3N=C2C(=O)OCC)F)F","HZVWTCFSODAMPZ-UHFFFAOYSA-N",401476,NA,"PDBC34401","715134","Present",NA,NA
+"34402","Diethyl 2-[[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[2-[4-[(3-phenylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4","WZCBNBWAOVPNEJ-UHFFFAOYSA-N",401477,NA,"PDBC34402","715135","Present",NA,NA
+"34403","Diethyl 2-[[2-[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[2-[4-[(3-thiophen-2-ylquinoxalin-2-yl)amino]phenyl]acetyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","YSPJXUORNLPTKF-UHFFFAOYSA-N",401478,NA,"PDBC34403","715136","Present",NA,NA
+"34404","Diethyl 2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[5-ethoxy-2-[[2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCC2=CC=CC=C2","VMFZJKSAXFCSEI-UHFFFAOYSA-N",381712,NA,"PDBC34404","668570","Present",NA,NA
+"34405","Diethyl 2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1","HYKOAGWRCGFLKJ-UHFFFAOYSA-N",381716,NA,"PDBC34405","668577","Present",NA,NA
+"34406","Diethyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-4-methoxy-4-oxo-butanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-4-methoxy-4-oxo-butanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[5-ethoxy-2-[[2-[[5-ethoxy-2-[[2-[[5-ethoxy-2-[[4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-5-oxopentanoyl]amino]-4-methoxy-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-4-me",NA,"CCOC(=O)CCC(C(=O)NC(CC(=O)OC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CC(=O)OCC)C(=O)OCC)NC(=O)C(CC(=O)OC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1","WWQPEQRYLXARLJ-UHFFFAOYSA-N",381619,NA,"PDBC34406","668439","Present",NA,NA
+"34407","Diethyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]am",NA,"CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1","RANVKENWSXWBIN-UHFFFAOYSA-N",381626,NA,"PDBC34407","668449","Present",NA,NA
+"34408","Diethyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]acetyl]amino]acetyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[5-ethoxy-2-[[5-ethoxy-2-[[2-[[2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]acetyl]ami",NA,"CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)CNC(=O)CNC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1","VYHVVBNACKSYOF-UHFFFAOYSA-N",381627,NA,"PDBC34408","668450","Present",NA,NA
+"34409","Diethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]pentanedioate;2,2,2-trifluoroacetic acid",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O","OSZHPZVUJYWBQM-UHFFFAOYSA-N",388713,NA,"PDBC34409","683774","Present",NA,NA
+"34410","Diethyl 2-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]carbamothioyl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]carbamothioyl]propanedioate",NA,"CCOC(=O)C(C(=S)NC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)OCC","ZVANUDGBLUFORH-UHFFFAOYSA-N",3005394,NA,"PDBC34410","695619","Present",NA,NA
+"34411","Diethyl 2-[[3-(1H-indol-3-yl)-1H-indol-2-yl]methylidene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[3-(1h-indol-3-yl)-1h-indol-2-yl]methylene]propanedioate",NA,"CCOC(=O)C(=CC1=C(C2=CC=CC=C2N1)C3=CNC4=CC=CC=C43)C(=O)OCC","YBYIJWFWHGSKBC-UHFFFAOYSA-N",399830,NA,"PDBC34411","710966","Present",NA,NA
+"34412","Diethyl 2-[[4-(3-ethoxycarbonylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-(3-ethoxycarbonylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C(=O)OCC","GHETXXNRGQDXEQ-UHFFFAOYSA-N",392812,NA,"PDBC34412","693768","Present",NA,NA
+"34413","Diethyl 2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-(3-phenylquinoxalin-2-yl)oxybenzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4","AJNJXJUIOUWSOF-UHFFFAOYSA-N",390812,NA,"PDBC34413","688814","Present",NA,NA
+"34414","Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4","FJVGFBADZAJQEG-UHFFFAOYSA-N",400213,NA,"PDBC34414","711731","Present",NA,NA
+"34415","Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-(pyrrolo[1,2-a]quinoxalin-4-ylmethoxy)benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N4C2=CC=C4","RHNOBPWFHZWHCU-UHFFFAOYSA-N",399539,NA,"PDBC34415","710403","Present",NA,NA
+"34416","Diethyl 2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-[(2,3-dimethoxyquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C2=CC=CC=C21)NCC3=CC4=C(C=C3)N=C(C(=N4)OC)OC","SGNFDTJHZRJZKN-UHFFFAOYSA-N",399542,NA,"PDBC34416","710406","Present",NA,NA
+"34417","Diethyl 2-[[4-[(3-chloro-2-phenylquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-[(3-chloro-2-phenylquinoxalin-6-yl)methylamino]naphthalene-1-carbonyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C2=CC=CC=C21)NCC3=CC4=C(C=C3)N=C(C(=N4)Cl)C5=CC=CC=C5","SZOKBHZEOQEOLD-UHFFFAOYSA-N",399541,NA,"PDBC34417","710405","Present",NA,NA
+"34418","Diethyl 2-[[4-[(3-ethoxycarbonylquinoxalin-2-yl)amino]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glutamic acid, N-[4-[[[2-(ethoxycarbonyl)-3-quinoxalinyl...",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)OCC","IQJJFBPDRPUVKR-UHFFFAOYSA-N",382848,NA,"PDBC34418","670678","Present",NA,NA
+"34419","Diethyl 2-[[4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","DLQOKBBSFUTDLQ-UHFFFAOYSA-N",390814,NA,"PDBC34419","688816","Present",NA,NA
+"34420","Diethyl 2-[[4-[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-[8-amino-3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","XOIMQSNHAJPJCU-UHFFFAOYSA-N",393058,NA,"PDBC34420","694342","Present",NA,NA
+"34421","Diethyl 2-[[4-[[(3-ethoxycarbonylquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-[[(3-ethoxycarbonylquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C(=O)OCC","GPMILDVFCMXSGX-UHFFFAOYSA-N",390808,NA,"PDBC34421","688810","Present",NA,NA
+"34422","Diethyl 2-[[4-[[3-ethoxycarbonyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl[(4-{[3-(ethoxycarbonyl)-6-(trifluoromethyl)quinoxalin-2-yl]amino}benzoyl)amino]propanedioate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)C(=O)NC(C(=O)OCC)C(=O)OCC","FWBOOFNNDMVBCA-UHFFFAOYSA-N",386960,NA,"PDBC34422","680187","Present",NA,NA
+"34423","Diethyl 2-[[4-[[3-ethoxycarbonyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-((4-((3-(ethoxycarbonyl)-7-(trifluoromethyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)OCC","NJFOSEYKVHPKKA-UHFFFAOYSA-N",383927,NA,"PDBC34423","672883","Present",NA,NA
+"34424","Diethyl 2-[[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-[[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","WNIVTIDYPIBFFV-UHFFFAOYSA-N",384949,NA,"PDBC34424","675773","Present",NA,NA
+"34425","Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","OIFYNNTYCLNZMN-UHFFFAOYSA-N",389673,NA,"PDBC34425","686050","Present",NA,NA
+"34426","Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-[[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methoxy]benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","XSUPEQWLKDUWJK-UHFFFAOYSA-N",389676,NA,"PDBC34426","686053","Present",NA,NA
+"34427","Diethyl 2-[[4-[[6-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glutamic acid, N-[4-[[6-(trifluoromethyl)-2-quinoxalinyl...",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","CRACCCVRFGULLO-UHFFFAOYSA-N",384948,NA,"PDBC34427","675772","Present",NA,NA
+"34428","Diethyl 2-[[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F","WCELHRBDOZDRAZ-UHFFFAOYSA-N",389671,NA,"PDBC34428","686048","Present",NA,NA
+"34429","Diethyl 2-[[4-[[methoxy-[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl]amino]benzoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diethyl 2-[[4-[[methoxy-[3-phenyl-7-(trifluoromethyl)quinoxalin-2-yl]methyl]amino]benzoyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC(C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","DYUJFYMCZCVSIX-UHFFFAOYSA-N",371166,NA,"PDBC34429","645167","Present",NA,NA
+"34430","Diethyl 2-[[5-[(3-ethoxycarbonylquinoxalin-2-yl)amino]thiophene-2-carbonyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[5-[(3-ethoxycarbonylquinoxalin-2-yl)amino]thiophene-2-carbonyl]amino]pentanedioate",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(S1)NC2=NC3=CC=CC=C3N=C2C(=O)OCC","XASOIPFYVYGPIV-UHFFFAOYSA-N",393705,NA,"PDBC34430","696139","Present",NA,NA
+"34431","Diethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]butanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]butanedioate",NA,"CCOC(=O)CC(C(=O)OCC)NC(=O)C1=C(N=CN1)N=NN(C)C","HQUKRJPQPMDVBB-VHEBQXMUSA-N",135499317,NA,"PDBC34431","651358","Present",NA,NA
+"34432","Diethyl 2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoyl]ami",NA,"CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)C(CCC(=O)OCC)NC(=O)OCC2=CC=CC=C2","DCEMOJXDGHEDLM-UHFFFAOYSA-N",16129796,NA,"PDBC34432","668571","Present",NA,NA
+"34433","Diethyl 2-[[[(Z)-(2-oxoindolin-3-ylidene)amino]carbamothioylamino]methylene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-[[[(Z)-(2-oxoindolin-3-ylidene)amino]carbamothioylamino]methylene]propanedioate",NA,"CCOC(=O)C(=CNC(=S)N=NC1=C(NC2=CC=CC=C21)O)C(=O)OCC","SSLUKVMIVJNHKM-UHFFFAOYSA-N",3004559,NA,"PDBC34433","658339","Present",NA,NA
+"34434","Diethyl 2-acetamido-2-[(6-nitro-1H-indol-3-yl)methyl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl(acetylamino)[(6-nitro-1h-indol-3-yl)methyl]propanedioate",NA,"CCOC(=O)C(CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C","OIFCLUUZPMYLIF-UHFFFAOYSA-N",249442,NA,"PDBC34434","67774","Present",NA,NA
+"34435","Diethyl 2-acetamido-2-[[1-(benzenesulfonyl)indol-3-yl]methyl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-acetamido-2-[[1-(benzenesulfonyl)indol-3-yl]methyl]propanedioate",NA,"CCOC(=O)C(CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3)(C(=O)OCC)NC(=O)C","QAFNRIQWNKRAKN-UHFFFAOYSA-N",374839,NA,"PDBC34435","653265","Present",NA,NA
+"34436","Diethyl 2-acetamido-2-[[5-[bis(2-chloroethyl)amino]-1H-indol-3-yl]methyl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl(acetylamino)({5-[bis(2-chloroethyl)amino]-1h-indol-3-yl}methyl)propanedioate",NA,"CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl)(C(=O)OCC)NC(=O)C","FKCGBVVBHXXBOD-UHFFFAOYSA-N",248139,NA,"PDBC34436","64703","Present",NA,NA
+"34437","Diethyl 2-acetamido-2-[[6-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl(acetylamino)({6-[bis(2-hydroxyethyl)amino]-1h-indol-3-yl}methyl)propanedioate",NA,"CCOC(=O)C(CC1=CNC2=C1C=CC(=C2)N(CCO)CCO)(C(=O)OCC)NC(=O)C","FSVLSJQLRXIMDS-UHFFFAOYSA-N",270973,NA,"PDBC34437","114346","Present",NA,NA
+"34438","Diethyl 2-acetamido-2-[[7-[bis(2-hydroxyethyl)amino]-1H-indol-3-yl]methyl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl(acetylamino)({7-[bis(2-hydroxyethyl)amino]-1h-indol-3-yl}methyl)propanedioate",NA,"CCOC(=O)C(CC1=CNC2=C1C=CC=C2N(CCO)CCO)(C(=O)OCC)NC(=O)C","HSELHOSLVXGMDS-UHFFFAOYSA-N",253773,NA,"PDBC34438","77007","Present",NA,NA
+"34439","Diethyl 2-allyl-2-(2-oxoethyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-allyl-2-(2-oxoethyl)malonate",NA,"CCOC(=O)C(CC=C)(CC=O)C(=O)OCC","UEMZWSAUWIPEOF-UHFFFAOYSA-N",389876,NA,"PDBC34439","686504","Present",NA,NA
+"34440","Diethyl 2-amino-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-amino-4-methyl-5,6-dihydro-4H-cyclopenta[b]thiophene-3,4-dicarboxylate",NA,"CCOC(=O)C1=C(SC2=C1C(CC2)(C)C(=O)OCC)N","FGMKGQCGPZRWDW-UHFFFAOYSA-N",383362,NA,"PDBC34440","671476","Present",NA,NA
+"34441","Diethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3,4-dicarboxylate",NA,"CCOC(=O)C1CCCCC2=C1C(=C(S2)N)C(=O)OCC","CASKERIJAHTMCZ-UHFFFAOYSA-N",383367,NA,"PDBC34441","671481","Present",NA,NA
+"34442","Diethyl 2-amino-6-[2-(2-pyridyl)vinyl]-1,3-azulenedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-amino-6-[2-(2-pyridyl)vinyl]-1,3-azulenedicarb...",NA,"CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)C=CC3=CC=CC=N3","CSDWCMACKYCMES-DHZHZOJOSA-N",6277558,NA,"PDBC34442","647066","Present",NA,NA
+"34443","Diethyl 2-amino-6-methyl-4-oxo-4,5,6,9-tetrahydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-amino-6-methyl-4-oxo-4,5,6,9-tetrahydro-1H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate",NA,"CCOC(=O)C1=CC(NC2=C(N1)N=C(NC2=O)N)(C)C(=O)OCC","VXNZPAGSGBYICC-UHFFFAOYSA-N",135409163,NA,"PDBC34443","662150","Present",NA,NA
+"34444","Diethyl 2-amino-6-styryl-1,3-azulenedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-amino-6-styryl-1,3-azulenedicarboxylate",NA,"CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)C=CC3=CC=CC=C3","DMEOGIXCUSGPEG-ZHACJKMWSA-N",6277557,NA,"PDBC34444","647065","Present",NA,NA
+"34445","Diethyl 2-amino-6[2-(methoxycarbonyl)vinyl]-1,3-azulene-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-amino-6[2-(methoxycarbonyl)vinyl]-1,3-azulene-...",NA,"CCOC(=O)C1=C2C=CC(=CC=C2C(=C1N)C(=O)OCC)C=CC(=O)OC","DPWBJODWONDKNU-DHZHZOJOSA-N",6277559,NA,"PDBC34445","647067","Present",NA,NA
+"34446","Diethyl 2-benzamido-2-[(2-formyl-1H-indol-3-yl)methyl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-benzamido-2-[(2-formyl-1H-indol-3-yl)methyl]propanedioate",NA,"CCOC(=O)C(CC1=C(NC2=CC=CC=C21)C=O)(C(=O)OCC)NC(=O)C3=CC=CC=C3","INPONGOTQJDKST-UHFFFAOYSA-N",363116,NA,"PDBC34446","627684","Present",NA,NA
+"34447","Diethyl 2-methoxy-3,6-dimethyl-4-oxo-4,5,6,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-methoxy-3,6-dimethyl-4-oxo-5,9-dihydropyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate",NA,"CCOC(=O)C1=CC(NC2=C(N1)N=C(N(C2=O)C)OC)(C)C(=O)OCC","JPPFYLGPGPSPKH-UHFFFAOYSA-N",378829,NA,"PDBC34447","662147","Present",NA,NA
+"34448","Diethyl 2-methylenemalonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AI3-10018",NA,"CCOC(=O)C(=C)C(=O)OCC","BQHDXNZNSPVVKB-UHFFFAOYSA-N",95118,NA,"PDBC34448","18901","Present",NA,NA
+"34449","Diethyl 2-oxo-1,2,5,6,7,8-hexahydro-4H-3,1-benzoxazine-4,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-oxo-1,2,5,6,7,8-hexahydro-4H-3,1-benzoxazine-4,4-dicarboxylate",NA,"CCOC(=O)C1(C2=C(CCCC2)NC(=O)O1)C(=O)OCC","RQLNDSQIVGREPZ-UHFFFAOYSA-N",371791,NA,"PDBC34449","646235","Present",NA,NA
+"34450","Diethyl 2-oxo-2,3,6,11-tetrahydro-1H-indolizino[8,7-b]indole-1,11b(5H)-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-oxo-2,3,6,11-tetrahydro-1H-indolizino[8,7-b]indole-1,11b(5H)-dicarboxylate",NA,"CCOC(=O)C1C(=O)CN2C1(C3=C(CC2)C4=CC=CC=C4N3)C(=O)OCC","FGPODTSCBRPJFL-UHFFFAOYSA-N",372192,NA,"PDBC34450","647142","Present",NA,NA
+"34451","Diethyl 2-oxotetrahydro-2H-pyran-3-ylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Diethoxyphosphoryltetrahydropyran-2-one",NA,"CCOP(=O)(C1CCCOC1=O)OCC","WYXBTGCFOPOZLW-UHFFFAOYSA-N",364162,NA,"PDBC34451","629862","Present",NA,NA
+"34452","Diethyl 2-phosphono-3-(2-N-methylpyrrole)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-phosphono-3-(2-N-methylpyrrole)acrylonitrile",NA,"CCOP(=O)(C(=CC1=CC=CN1C)C#N)OCC","QNXRWHHBECUPNM-FMIVXFBMSA-N",5467939,NA,"PDBC34452","660161","Present",NA,NA
+"34453","Diethyl 2-phosphono-3-(2-methyl-3-indole)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-phosphono-3-(2-methyl-3-indole)acrylonitrile",NA,"CCOP(=O)(C(=CC1=C(NC2=CC=CC=C21)C)C#N)OCC","WHRMWWOAGROONP-JLHYYAGUSA-N",5467931,NA,"PDBC34453","660153","Present",NA,NA
+"34454","Diethyl 2-phosphono-3-(2-pyridyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-phosphono-3-(2-pyridyl)acrylonitrile",NA,"CCOP(=O)(C(=CC1=CC=CC=N1)C#N)OCC","HFKJWXYDLWPLSJ-FMIVXFBMSA-N",5467934,NA,"PDBC34454","660156","Present",NA,NA
+"34455","Diethyl 2-phosphono-3-(3-indole)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-phosphono-3-(3-indole)acrylonitrile",NA,"CCOP(=O)(C(=CC1=CNC2=CC=CC=C21)C#N)OCC","CXCPYMVLTOHULS-UKTHLTGXSA-N",5467929,NA,"PDBC34455","660151","Present",NA,NA
+"34456","Diethyl 2-phosphono-3-(4-quinoline)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-phosphono-3-(4-quinoline)acrylonitrile",NA,"CCOP(=O)(C(=CC1=CC=NC2=CC=CC=C12)C#N)OCC","YFMPUXFPBBGIPR-SDNWHVSQSA-N",5467938,NA,"PDBC34456","660160","Present",NA,NA
+"34457","Diethyl 2-tert-butyl-3-methyl-1H-indene-1,1-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 2-tert-butyl-3-methyl-1H-indene-1,1-dicarboxylate",NA,"CCOC(=O)C1(C2=CC=CC=C2C(=C1C(C)(C)C)C)C(=O)OCC","XXOYHVQGWXKWBW-UHFFFAOYSA-N",372865,NA,"PDBC34457","648555","Present",NA,NA
+"34458","Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3,3'-(1,3-phenylene)di(prop-2-ynoate)",NA,"CCOC(=O)C#CC1=CC(=CC=C1)C#CC(=O)OCC","RZFLPKWJWSIJBL-UHFFFAOYSA-N",323109,NA,"PDBC34458","281929","Present",NA,NA
+"34459","Diethyl 3,3-thietanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3,3-thietanedicarboxylate",NA,"CCOC(=O)C1(CSC1)C(=O)OCC","WDWZOPYWJZDZTR-UHFFFAOYSA-N",373714,NA,"PDBC34459","650615","Present",NA,NA
+"34460","Diethyl 3,5-bis(4-methylbenzoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3,5-bis(4-methylbenzoyl)-4-(3-nitrophenyl)-1,4-dihydropyridine-2,6-dicarboxylate",NA,"CCOC(=O)C1=C(C(C(=C(N1)C(=O)OCC)C(=O)C2=CC=C(C=C2)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)C","QFVIGIFTYGBDJM-UHFFFAOYSA-N",341281,NA,"PDBC34460","373045","Present",NA,NA
+"34461","Diethyl 3,6-dihydroxypentacyclo[6.5.0.04,12.05,10.09,13]trideca-2,6-diene-2,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3,6-dihydroxypentacyclo[6.5.0.04,12.05,10.09,13]trideca-2,6-diene-2,7-dicarboxylate",NA,"CCOC(=O)C1=C(C2C3CC4C2C(=C(C5C4C3C51)C(=O)OCC)O)O","GDMNLDOPKZZEJL-UHFFFAOYSA-N",54680443,NA,"PDBC34461","677228","Present",NA,NA
+"34462","Diethyl 3,6-dimethyl-2-(methylthio)-4-oxo-4,5,6,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3,6-dimethyl-2-(methylthio)-4-oxo-4,5,6,9-tetrahydro-3H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate",NA,"CCOC(=O)C1=CC(NC2=C(N1)N=C(N(C2=O)C)SC)(C)C(=O)OCC","NIRMQALSODEPFC-UHFFFAOYSA-N",378831,NA,"PDBC34462","662149","Present",NA,NA
+"34463","Diethyl 3,6-dimethyl-3,6-dihydrodipyrrolo[2,3-c:3,2-e]pyridazine-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 5,10-dimethyl-5,7,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2(6),3,11-tetraene-7,8-dicarboxylate",NA,"CCOC(=O)N1C2=C(C=CN2C)C3=C(N1C(=O)OCC)N(C=C3)C","FFEZMACMDOBFMU-UHFFFAOYSA-N",370817,NA,"PDBC34463","644340","Present",NA,NA
+"34464","Diethyl 3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3,6-diphenyl-3,6-dihydropyridazine-1,2-dicarboxylate",NA,"CCOC(=O)N1C(C=CC(N1C(=O)OCC)C2=CC=CC=C2)C3=CC=CC=C3","DNDWOOYOJNPXEM-UHFFFAOYSA-N",359343,NA,"PDBC34464","620128","Present",NA,NA
+"34465","Diethyl 3-(1-phenylpyrrol-2-yl)-1H-pyrrole-2,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3-(1-phenylpyrrol-2-yl)-1H-pyrrole-2,4-dicarboxylate",NA,"CCOC(=O)C1=CNC(=C1C2=CC=CN2C3=CC=CC=C3)C(=O)OCC","YXQLQAHEIBRCJC-UHFFFAOYSA-N",392648,NA,"PDBC34465","693227","Present",NA,NA
+"34466","Diethyl 3-(1-phenylpyrrol-2-yl)-2,3-dihydro-1H-pyrrole-2,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3-(1-phenylpyrrol-2-yl)-2,3-dihydro-1H-pyrrole-2,4-dicarboxylate",NA,"CCOC(=O)C1C(C(=CN1)C(=O)OCC)C2=CC=CN2C3=CC=CC=C3","HCSNACQSVZNOHW-UHFFFAOYSA-N",390184,NA,"PDBC34466","687345","Present",NA,NA
+"34467","Diethyl 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-2,3-dihydro-1H-pyrrole-2,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-2,3-dihydro-1H-pyrrole-2,4-dicarboxylate",NA,"CCOC(=O)C1C(C(=CN1)C(=O)OCC)C2=CC=CN2C3=C(C=C(C=C3)Cl)[N+](=O)[O-]","CRRGETQFRZIOJY-UHFFFAOYSA-N",390188,NA,"PDBC34467","687349","Present",NA,NA
+"34468","Diethyl 3-amino-2-cyano-2-pentenedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diethyl (Z)-3-amino-2-cyano-pent-2-enedioate",NA,"CCOC(=O)CC(=C(C#N)C(=O)OCC)N","AHUNWNFEFPPLRL-FPLPWBNLSA-N",2803966,NA,"PDBC34468","623888","Present",NA,NA
+"34469","Diethyl 3-hydroxy-4,6-dimethylthieno[3,2-a]indolizine-2,9-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3-hydroxy-4,6-dimethylthieno[3,2-a]indolizine-2,9-dicarboxylate",NA,"CCOC(=O)C1=C2C(=C3N1C=C(C=C3C)C)C(=C(S2)C(=O)OCC)O","ZXIDCVYYDJJAOW-UHFFFAOYSA-N",360958,NA,"PDBC34469","623686","Present",NA,NA
+"34470","Diethyl 3-methyl-1,2-butadienylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3-methyl-1,2-butadienylphosphonate",NA,"CCOP(=O)(C=C=C(C)C)OCC","FIKUSCSPTVGGQV-UHFFFAOYSA-N",380886,NA,"PDBC34470","666670","Present",NA,NA
+"34471","Diethyl 3-phenethyl-4-vinyl-pyrazolidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 3-phenethyl-4-vinyl-pyrazolidine-1,2-dicarboxylate",NA,"CCOC(=O)N1CC(C(N1C(=O)OCC)CCC2=CC=CC=C2)C=C","SUXWFTZVOWZAJI-UHFFFAOYSA-N",394565,NA,"PDBC34471","698130","Present",NA,NA
+"34472","Diethyl 4,4-dimethyl-3a-phenyl-3a,4-dihydroisoxazolo[2,3-a]indole-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 4,4-dimethyl-3a-phenyl-3a,4-dihydroisoxazolo[2,3-a]indole-2,3-dicarboxylate",NA,"CCOC(=O)C1=C(ON2C1(C(C3=CC=CC=C32)(C)C)C4=CC=CC=C4)C(=O)OCC","FZNFTULABUEKRW-UHFFFAOYSA-N",371280,NA,"PDBC34472","645344","Present",NA,NA
+"34473","Diethyl 4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-ene-5,12-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6...",NA,"CCOC(=O)N1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)C(=O)OCC","FRUVSBRVTWCWTD-UHFFFAOYSA-N",339694,NA,"PDBC34473","367334","Present",NA,NA
+"34474","Diethyl 4-((2-amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)-3-hydroxybutylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]-4-diethoxyphosphorylbutan-2-ol",NA,"CCOP(=O)(CCC(CNC1=C(C(=NC(=N1)N)Cl)N=NC2=CC=C(C=C2)Cl)O)OCC","BXUBMHUCWWGWKS-UHFFFAOYSA-N",385294,NA,"PDBC34474","676406","Present",NA,NA
+"34475","Diethyl 4-(dimethoxymethyl)-3-(2-methoxy-2-oxoethyl)-1,1-cyclohexanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 4-(dimethoxymethyl)-3-(2-methoxy-2-oxoethyl)-1,1-cyclohexanedicarboxylate",NA,"CCOC(=O)C1(CCC(C(C1)CC(=O)OC)C(OC)OC)C(=O)OCC","PIIDRUYPBNGJOR-UHFFFAOYSA-N",379283,NA,"PDBC34475","663789","Present",NA,NA
+"34476","Diethyl 4-(dimethylamino)phenylamidophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-Diethoxyphosphoryl-N1,N1-dimethyl-benzene-1,4-diamine",NA,"CCOP(=O)(NC1=CC=C(C=C1)N(C)C)OCC","AYMSDZHYKPQGSH-UHFFFAOYSA-N",392807,NA,"PDBC34476","693726","Present",NA,NA
+"34477","Diethyl 4-amino-[1,2,4]triazino[4,3-a]indole-3,10-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 4-amino[1,2,4]triazino[4,3-a]indole-3,10-dicarboxylate",NA,"CCOC(=O)C1=C2N=NC(=C(N2C3=CC=CC=C31)N)C(=O)OCC","GHDCMAVHPTXUBA-UHFFFAOYSA-N",403963,NA,"PDBC34477","719734","Present",NA,NA
+"34478","Diethyl 4-ethoxy-4-hydroxy-2-(4-methoxyphenyl)-6-oxo-1,3-cyclohexanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 4-ethoxy-4-hydroxy-2-(4-methoxyphenyl)-6-oxo-1,3-cyclohexanedicarboxylate",NA,"CCOC(=O)C1C(C(C(CC1=O)(O)OCC)C(=O)OCC)C2=CC=C(C=C2)OC","ZGVFGMZQHDEMGL-UHFFFAOYSA-N",386766,NA,"PDBC34478","679445","Present",NA,NA
+"34479","Diethyl 4-hydroxy-2-(4-methoxyphenyl)-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 4-hydroxy-2-(4-methoxyphenyl)-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate",NA,"CCOC(=O)C1C(C(C(CC1=O)(C2=CC=CC=C2)O)C(=O)OCC)C3=CC=C(C=C3)OC","HGAINBGRJFALTP-UHFFFAOYSA-N",386764,NA,"PDBC34479","679443","Present",NA,NA
+"34480","Diethyl 4-hydroxy-2-methoxy-6-methyl-6,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 4-hydroxy-2-methoxy-6-methyl-6,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate",NA,"CCOC(=O)C1=CC(NC2=C(N1)N=C(NC2=O)OC)(C)C(=O)OCC","QHRNOGTYRKVLBW-UHFFFAOYSA-N",135409161,NA,"PDBC34480","662146","Present",NA,NA
+"34481","Diethyl 4-hydroxy-6-methyl-2-(methylthio)-6,9-dihydro-5H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 6-methyl-2-methylsulfanyl-4-oxo-5,9-dihydro-3H-pyrimido[4,5-b][1,4]diazepine-6,8-dicarboxylate",NA,"CCOC(=O)C1=CC(NC2=C(N1)N=C(NC2=O)SC)(C)C(=O)OCC","AYSLOAWDYIXEEC-UHFFFAOYSA-N",135409162,NA,"PDBC34481","662148","Present",NA,NA
+"34482","Diethyl 4-methoxy-7,8-dihydropyrrolo[3,2-e]indole-2,6(3H)-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 4-methoxy-7,8-dihydropyrrolo[3,2-e]indole-2,6(3H)-dicarboxylate",NA,"CCOC(=O)C1=CC2=C3CCN(C3=CC(=C2N1)OC)C(=O)OCC","CKJHAFJVOHJNSZ-UHFFFAOYSA-N",393077,NA,"PDBC34482","694462","Present",NA,NA
+"34483","Diethyl 5-((2-amino-6-chloro-4-pyrimidinyl)amino)-4-hydroxypentylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Amino-6-chloro-pyrimidin-4-yl)amino]-5-diethoxyphosphoryl-pentan-2-ol",NA,"CCOP(=O)(CCCC(CNC1=CC(=NC(=N1)N)Cl)O)OCC","MZOMXNMWTHRVCH-UHFFFAOYSA-N",385292,NA,"PDBC34483","676404","Present",NA,NA
+"34484","Diethyl 5-((2-amino-6-chloro-5-((4-chlorophenyl)diazenyl)-4-pyrimidinyl)amino)-4-hydroxypentylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]-5-diethoxyphosphorylpentan-2-ol",NA,"CCOP(=O)(CCCC(CNC1=C(C(=NC(=N1)N)Cl)N=NC2=CC=C(C=C2)Cl)O)OCC","VMASUNXECJSGQE-UHFFFAOYSA-N",385295,NA,"PDBC34484","676407","Present",NA,NA
+"34485","Diethyl 5-[(phenylsulfonyl)amino]benzene-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK470610",NA,"CCOC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC=C2)C(=O)OCC","DOVBQWPZXYTIRS-UHFFFAOYSA-N",8188933,NA,"PDBC34485","743406","Present",NA,NA
+"34486","Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]-2-thienyl]-3-propyl-1H-pyrrole-2,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]thiophen-2-yl]-3-propyl-1H-pyrrole-2,4-dicarboxylate",NA,"CCCC1=C(NC(=C1C(=O)OCC)C2=CC=C(S2)C3=C(C(=C(N3)C(=O)OCC)CCC)C(=O)OCC)C(=O)OCC","YLZKRVZVFKPNNF-UHFFFAOYSA-N",374809,NA,"PDBC34486","653146","Present",NA,NA
+"34487","Diethyl 5-[5-[5-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-4-ethoxycarbonyl-3-methyl-1H-pyrrol-2-yl]-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]-3-methyl-1H-pyrrole-2,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 5-[5-[5-[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]-4-ethoxycarbonyl-3-methyl-1H-pyrrol-2-yl]-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl]-3-methyl-1H-pyrrole-2,4-dicarboxylate",NA,"CCOC(=O)C1=C(NC(=C1C)C2=C(C(=C(N2)C3=C(C(=C(N3)C(=O)OCC)C)C(=O)OCC)C(=O)OCC)C)C4=C(C(=C(N4)C(=O)OCC)C)C(=O)OCC","RTIGCUQZIWJUSZ-UHFFFAOYSA-N",382464,NA,"PDBC34487","670033","Present",NA,NA
+"34488","Diethyl 5-oxo-4-pyrrolidin-1-ylcyclopent-3-ene-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 5-oxo-4-pyrrolidin-1-yl-cyclopent-3-ene-1,3-dicarboxylate",NA,"CCOC(=O)C1CC(=C(C1=O)N2CCCC2)C(=O)OCC","XKEOTYLWAPSOPX-UHFFFAOYSA-N",395739,NA,"PDBC34488","700539","Present",NA,NA
+"34489","Diethyl 5-phenyl-2-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyrrole-3,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 5-phenyl-2-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyrrole-3,3-dicarboxylate",NA,"CCOC(=O)C1(C=C(N(C1=S)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C3=CC=CC=C3)C(=O)OCC","DQFUNIDIQWTPCP-UHFFFAOYSA-N",393548,NA,"PDBC34489","695618","Present",NA,NA
+"34490","Diethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethyl-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate",NA,"CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)OC)C)C(=O)OCC)C#N)N)NC(=O)OC)C","FBOKGMFEOAUUGU-UHFFFAOYSA-N",367827,NA,"PDBC34490","637902","Present",NA,NA
+"34491","Diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate",NA,"CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)NC3=CC=CC=C3)C)C(=O)OCC)C#N)N)NC(=O)NC4=CC=CC=C4)C","OCUZISDJIJRAFD-UHFFFAOYSA-N",367830,NA,"PDBC34491","637905","Present",NA,NA
+"34492","Diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-diureido-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 6a-amino-3a-cyano-2,5-dimethyl-1,6-diureido-pyrrolo[2,3-b]pyrrole-3,4-dicarboxylate",NA,"CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)N)C)C(=O)OCC)C#N)N)NC(=O)N)C","UFKDCMAMQUXQLZ-UHFFFAOYSA-N",367831,NA,"PDBC34492","637906","Present",NA,NA
+"34493","Diethyl 7-(1-adamantyl)-9-oxo-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonane-1,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 7-(1-adamantyl)-9-oxo-2,4-diphenyl-3-oxa-7-azabicyclo[3.3.1]nonane-1,5-dicarboxylate",NA,"CCOC(=O)C12CN(CC(C1=O)(C(OC2C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC)C56CC7CC(C5)CC(C7)C6","JKJUPHVYTNXPOR-UHFFFAOYSA-N",363925,NA,"PDBC34493","629413","Present",NA,NA
+"34494","Diethyl 7-oxo-1,3,5-cycloheptatriene-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 7-oxo-1,3,5-cycloheptatriene-1,3-dicarboxylate",NA,"CCOC(=O)C1=CC=CC(=O)C(=C1)C(=O)OCC","GLHQXZYZCVKOBV-UHFFFAOYSA-N",363077,NA,"PDBC34494","627638","Present",NA,NA
+"34495","Diethyl 8,12-dioxo-3,5-diphenyl-4,9-diazabicyclo[5.5.0]dodeca-1(7),2,5,10-tetraene-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 8,12-dioxo-3,5-diphenyl-4,9-diazabicyclo[5.5.0]dodeca-1(7),2,5,10-tetraene-2,6-dicarboxylate",NA,"CCOC(=O)C1=C(NC(=C(C2=C1C(=O)C=CNC2=O)C(=O)OCC)C3=CC=CC=C3)C4=CC=CC=C4","AVNLKYQQKOWVNH-UHFFFAOYSA-N",367944,NA,"PDBC34495","638148","Present",NA,NA
+"34496","Diethyl 9-(2-ethoxy-2-oxoethyl)-7,9-dihydropyrido[1,2-a]perimidine-8,10-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 9-(2-ethoxy-2-oxoethyl)-7,9-dihydropyrido[1,2-a]perimidine-8,10-dicarboxylate",NA,"CCOC(=O)CC1C(=CN2C3=CC=CC4=C3C(=CC=C4)NC2=C1C(=O)OCC)C(=O)OCC","LUDLNVJTMPZHTA-UHFFFAOYSA-N",395884,NA,"PDBC34496","700979","Present",NA,NA
+"34497","Diethyl N-[-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)aminomethyl]benzoy l]-L-gluatamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl N-[-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)aminom...",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","WIWJWAREKQVOIS-UHFFFAOYSA-N",405951,NA,"PDBC34497","723740","Present",NA,NA
+"34498","Diethyl N-[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)hydroxy]benzoyl]-L-glutamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl N-[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)hydro...",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)OC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","AZQUBUNEBSSGGC-UHFFFAOYSA-N",405952,NA,"PDBC34498","723741","Present",NA,NA
+"34499","Diethyl N[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)amino]benzoyl]-L-g lutamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl N[4-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)amino]...",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","VMTODJCTVNGYMG-UHFFFAOYSA-N",405953,NA,"PDBC34499","723742","Present",NA,NA
+"34500","Diethyl alpha-phosphono-beta-pyrryl-acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl .alpha.-phosphono-.beta.-pyrryl-acrylonitrile",NA,"CCOP(=O)(C(=CC1=CC=CN1)C#N)OCC","WDKQNUUCBXHMBW-DHZHZOJOSA-N",5877588,NA,"PDBC34500","643152","Present",NA,NA
+"34501","Diethyl p-carbomethoxy benzylidene malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl p-carbomethoxy benzylidene malonate",NA,"CCOC(=O)C(=CC1=CC=C(C=C1)C(=O)OC)C(=O)OCC","KURZYSGABYFVJO-UHFFFAOYSA-N",370249,NA,"PDBC34501","643022","Present",NA,NA
+"34502","Diethyl p-phenoxybenzalmalonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl p-phenoxybenzalmalonate",NA,"CCOC(=O)C(=CC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)OCC","NIFRYYIVUMNLJJ-UHFFFAOYSA-N",370253,NA,"PDBC34502","643027","Present",NA,NA
+"34503","Diethyl toluene-2,4-dicarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC400615",NA,"CCOC(=O)NC1=CC(=C(C=C1)C)NC(=O)OCC","PHYURWGMBQTCSY-UHFFFAOYSA-N",343975,NA,"PDBC34503","400615","Present",NA,NA
+"34504","Diethyl tricyclo[3.1.0.02,4]hexane-3,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diethyl tricyclo[3.1.0.02,4]hexane-3,6-dicarboxylate",NA,"CCOC(=O)C1C2C1C3C2C3C(=O)OCC","GPNXEVNTZANIMK-UHFFFAOYSA-N",401483,NA,"PDBC34504","715141","Present",NA,NA
+"34505","Diethyl tricyclo[3.2.1.02,4]octane-2,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl tricyclo[3.2.1.02,4]octane-2,4-dicarboxylate",NA,"CCOC(=O)C12CC1(C3CCC2C3)C(=O)OCC","SNNOKPGWXOKJIE-UHFFFAOYSA-N",372438,NA,"PDBC34505","647552","Present",NA,NA
+"34506","Diethyl {[(pyridin-4-ylcarbonothioyl)amino]methylene}malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl {[(pyridin-4-ylcarbonothioyl)amino]methylene}malonate",NA,"CCOC(=O)C(=CNC(=S)C1=CC=NC=C1)C(=O)OCC","RQQUVANRZVDJDT-UHFFFAOYSA-N",3004565,NA,"PDBC34506","658349","Present",NA,NA
+"34507","Diethyl(acetylamino)(dodecyl)propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-acetamido-2-lauryl-malonic acid diethyl ester",NA,"CCCCCCCCCCCCC(C(=O)OCC)(C(=O)OCC)NC(=O)C","MJJFHXRBLZMOIC-UHFFFAOYSA-N",227967,NA,"PDBC34507","20192","Present",NA,NA
+"34508","Diethyl(dimethyl)phosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl(dimethyl)phosphanium;bromide",NA,"CC[P+](C)(C)CC.[Br-]","GGCWNJBUFPKBPS-UHFFFAOYSA-M",357587,NA,"PDBC34508","617063","Present",NA,NA
+"34509","Diethyl-.alpha.-naphthylidene-.alpha.-phosphonoacetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl-.alpha.-naphthylidene-.alpha.-phosphonoacetonitrile",NA,"CCOP(=O)(C(=CC1=CC=CC2=CC=CC=C21)C#N)OCC","ARVGRJBWTHEAQQ-VBKFSLOCSA-N",54600728,NA,"PDBC34509","643188","Present",NA,NA
+"34510","Diethyl-N[4-(3-thienylquinoxalyn-2-yl)oxiphenylacetyl]-L-glu tamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl-N[4-(3-thienylquinoxalyn-2-yl)oxiphenylacetyl]-L...",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CS4","SIASVBMLZKQYEJ-UHFFFAOYSA-N",405631,NA,"PDBC34510","723001","Present",NA,NA
+"34511","Diethyl-alpha-phosphono-beta-furyl acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl-.alpha.-phosphono-.beta.-furyl acrylonitrile",NA,"CCOP(=O)(C(=CC1=CC=CO1)C#N)OCC","RFSBJTNVKBBVCS-DHZHZOJOSA-N",5822688,NA,"PDBC34511","643034","Present",NA,NA
+"34512","Diethyl-alpha-phosphono-beta-thienylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl- .alpha.-phosphono-.beta.-thienylacrylonitrile",NA,"CCOP(=O)(C(=CC1=CSC=C1)C#N)OCC","IALIQRORZLTVKS-XFFZJAGNSA-N",5466803,NA,"PDBC34512","643159","Present",NA,NA
+"34513","Diethyl-methyl-[(2-nitrophenyl)methyl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658924",NA,"CC[N+](C)(CC)CC1=CC=CC=C1[N+](=O)[O-].[Cl-]","ZQSNDMPOZGWDAY-UHFFFAOYSA-M",10729957,NA,"PDBC34513","658924","Present",NA,NA
+"34514","Diethylamine NONOate/AM",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-014020",NA,"CCN(CC)[N+](=NOCOC(=O)C)[O-]","NZMFKFGVIPMXHU-NTMALXAHSA-N",9571436,NA,"PDBC34514","661004","Present",NA,NA
+"34515","Diethylbis{2-[1-adamantyl(iminomethyl)]phenolato}titanium (IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethylbis{2-[1-adamantyl(iminomethyl)]phenolato}titaniu...",NA,"CC[O-].CC[O-].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[O-].C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[O-].[Ti+4]","YSMPLUPEMJEILG-UHFFFAOYSA-L",368527,NA,"PDBC34515","639597","Present",NA,NA
+"34516","Diethylcarbamodithioic acid, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dedc",NA,"CCN(CC)C(=S)S.[Na+]","IOEJYZSZYUROLN-UHFFFAOYSA-N",21192315,NA,"PDBC34516","4857","Present",NA,NA
+"34517","Diethyldithiocarbamic acid mesyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, diethyldithio-, anhydrosulfide with metha...",NA,"CCN(CC)C(=S)SS(=O)(=O)C","SFOIKXZFQYFFMG-UHFFFAOYSA-N",249018,NA,"PDBC34517","66933","Present",NA,NA
+"34518","Diethyltin dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diethyldichlorotin",NA,"CC[Sn](CC)(Cl)Cl","YFAXVVMIXZAKSR-UHFFFAOYSA-L",91491,NA,"PDBC34518","302600","Present",NA,NA
+"34519","Diethyl{4-[(7-methoxy(4-quinolyl))amino]pentyl}amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-N'-(7-methoxy-4-quinolinyl)-1,4-pentanediamine",NA,"CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC","UPZNYIXLPMJBBS-UHFFFAOYSA-N",245068,NA,"PDBC34519","56612","Present",NA,NA
+"34520","Dietil N-[4-[(3-phenyl-6,7-diaminoquinoxalin-2-yl)tio]benzoyl]-L-gl utamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dietil N-[4-[(3-phenyl-6,7-diaminoquinoxalin-2-yl)tio]be...",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)SC2=NC3=CC(=CC(=C3N=C2C4=CC=CC=C4)N)N","NCCXZVMLVUPIDR-UHFFFAOYSA-N",405950,NA,"PDBC34520","723739","Present",NA,NA
+"34521","Difluoro(1,12-diphenyldodecane-1,3,10,12- tetraonato)tit...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Difluoro(1,12-diphenyldodecane-1,3,10,12- tetraonato)tit...",NA,NA,NA,NA,NA,"PDBC34521","635910","Present",NA,NA
+"34522","Difluoro(1,14-diphenyltetradecane-1,3,12,14-tetraonato) ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Difluoro(1,14-diphenyltetradecane-1,3,12,14-tetraonato) ...",NA,NA,NA,NA,NA,"PDBC34522","636484","Present",NA,NA
+"34523","Difluoro(1-phenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Difluoro(1-phenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC34523","635149","Present",NA,NA
+"34524","Difluorobis(1,3-diphenylpropane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Difluorobis(1,3-diphenylpropane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC34524","635152","Present",NA,NA
+"34525","Difluorobis(2-trimethylacetyl-1,3-indanedionato)titanium...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Difluorobis(2-trimethylacetyl-1,3-indanedionato)titanium...",NA,NA,NA,NA,NA,"PDBC34525","638744","Present",NA,NA
+"34526","Difluorobis(pentane-2,4-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Difluorobis(pentane-2,4-dionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC34526","635153","Present",NA,NA
+"34527","Difluoroethylhomocysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Difluoroethylhomocysteine",NA,"C(CSCC(F)F)C(C(=O)O)N","RHCLIFWLQIABLA-UHFFFAOYSA-N",369965,NA,"PDBC34527","642478","Present",NA,NA
+"34528","Diformyldapsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dfdds",NA,"C1=CC(=CC=C1NC=O)S(=O)(=O)C2=CC=C(C=C2)NC=O","NOWADDNUCMOPLH-UHFFFAOYSA-N",23230,NA,"PDBC34528","53674","Present",NA,NA
+"34529","Digimed",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC7529",NA,"CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O","WDJUZGPOPHTGOT-UHFFFAOYSA-N",3061,NA,"PDBC34529","7529","Present",NA,NA
+"34530","Digitonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Digitin///Digitonin",NA,"CC1CCC2(C(C3C(O2)C(C4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O)C)C)O)C)OC1","UVYVLBIGDKGWPX-UHFFFAOYSA-N",409778,NA,"PDBC34530","23471///710091","Present",NA,NA
+"34531","Digitoxigenin glycoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Digitoxigenin glycoside",NA,NA,NA,NA,NA,"PDBC34531","267713","Present",NA,NA
+"34532","Diglycolic acid, bis(2-methylallyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-61962",NA,"CC(=C)COC(=O)COCC(=O)OCC(=C)C","RXNOBJBOWJGYRR-UHFFFAOYSA-N",393372,NA,"PDBC34532","695203","Present",NA,NA
+"34533","Dihexadecyl 5-hydroxyisophthalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihexadecyl 5-hydroxyisophthalate",NA,"CCCCCCCCCCCCCCCCOC(=O)C1=CC(=CC(=C1)O)C(=O)OCCCCCCCCCCCCCCCC","LBPLECCYNXYVKY-UHFFFAOYSA-N",361966,NA,"PDBC34533","625451","Present",NA,NA
+"34534","Dihexyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihexyl 1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylphosphonate",NA,"CCCCCCOP(=O)(C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC)OCCCCCC","QISVNAHJMGYCHL-UHFFFAOYSA-N",383546,NA,"PDBC34534","671964","Present",NA,NA
+"34535","Dihydrazinylmethylhydrazine; 5-(2H-tetrazol-5-yl)-2H-tetrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydrazinylmethylhydrazine; 5-(2H-tetrazol-5-yl)-2H-tetrazole",NA,"C1(=NNN=N1)C2=NNN=N2.C(NN)(NN)NN","YTEYZLRUODXJLZ-UHFFFAOYSA-N",3246593,NA,"PDBC34535","282003","Present",NA,NA
+"34536","Dihydro coriolin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydro coriolin C",NA,"CCCCCCC(C(=O)OC1C2C(CC1(C)C)C(C34C2(C5(CO5)C(C3O4)O)C)O)O","TUOPMMVYGZYWAF-HNCUMCIGSA-N",380563,NA,"PDBC34536","666211","Present",NA,NA
+"34537","Dihydro-3,3,4,4-tetraethyl-2,5-furandione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetraethylsuccinic anhydride",NA,"CCC1(C(=O)OC(=O)C1(CC)CC)CC","APJHATHBVZSBMD-UHFFFAOYSA-N",141942,NA,"PDBC34537","617281","Present",NA,NA
+"34538","Dihydroartemisinyl ether, stereoisomer of NSC-685988",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydroartemisinyl ether, stereoisomer of NSC-685988",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C","DFPBBOCDGYBNBR-OOZODUPISA-N",6712440,NA,"PDBC34538","685989","Present",NA,NA
+"34539","Dihydroartemisinyl ether, stereoisomer of NSC-685989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydroartemisinyl ether, stereoisomer of NSC-685989",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC5C(C6CCC(C7C68C(O5)OC(CC7)(OO8)C)C)C)C","DFPBBOCDGYBNBR-VDUGFFJNSA-N",6712439,NA,"PDBC34539","685988","Present",NA,NA
+"34540","Dihydrocoralyne sulfoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydrocoralyne sulfoacetate",NA,"CC1=[N+]2CCC3=CC(=C(C=C3C2=CC4=CC(=C(C=C14)OC)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O","PFWOYQZDHZOKEE-UHFFFAOYSA-M",24193635,NA,"PDBC34540","191961","Present",NA,NA
+"34541","Dihydrocoumaroyltyramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydrocoumaroyltyramine",NA,"C1=CC(=CC=C1CCC(=O)NCCC2=CC=C(C=C2)O)O","XJOMECIQGMSDHB-UHFFFAOYSA-N",387940,NA,"PDBC34541","682291","Present",NA,NA
+"34542","Dihydrodehydrodiconiferyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-O-Methylcedrusin",NA,"COC1=CC(=CC2=C1OC(C2CO)C3=CC(=C(C=C3)O)OC)CCCO","SBLZVJIHPWRSQQ-HNAYVOBHSA-N",384679,NA,"PDBC34542","674906","Present",NA,NA
+"34543","Dihydrogeiparvarim",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydrogeiparvarim",NA,"CC(CCOC1=CC2=C(C=C1)C=CC(=O)O2)C3=CC(=O)C(O3)(C)C","GXTVQAPXQFZGLW-UHFFFAOYSA-N",289493,NA,"PDBC34543","151655","Present",NA,NA
+"34544","Dihydrograyanotoxin II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dihydrograyanotoxin ii",NA,"CC1C2CCC3C(C2(CC(C4(C1CC(C4(C)C)O)O)O)CC3(C)O)O","IGKWESNBSFVVHE-UHFFFAOYSA-N",433104,NA,"PDBC34544","323779","Present",NA,NA
+"34545","Dihydroguaiaretic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-butanediylDihydroguaiaretic acid",NA,"CC(CC1=CC(=C(C=C1)O)OC)C(C)CC2=CC(=C(C=C2)O)OC","ADFOLUXMYYCTRR-UHFFFAOYSA-N",161924,NA,"PDBC34545","705084","Present",NA,NA
+"34546","Dihydroindicine N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydroindicine N-oxide",NA,"CC(C)C(C(C)O)(C(=O)OCC1CC[N+]2(C1C(CC2)O)[O-])O","DVLCGDSBRKTUPZ-BHFLYOOQSA-N",6711253,NA,"PDBC34546","600090","Present",NA,NA
+"34547","Dihydrolenperone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dihydrolenperone",NA,"C1CN(CCC1C(C2=CC=C(C=C2)F)O)CCCC(=O)C3=CC=C(C=C3)F","ICAYNKLSQSKOJZ-UHFFFAOYSA-N",100146,NA,"PDBC34547","343513","Present",NA,NA
+"34548","Dihydroniloticin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydroniloticin",NA,"CC(CC(C1C(O1)(C)C)O)C2CCC3(C2(CCC4C3=CCC5C4(CCC(C5(C)C)O)C)C)C","UMTABACRBSGXGK-MCHKJTSXSA-N",374820,NA,"PDBC34548","653157","Present",NA,NA
+"34549","Dihydroovalicine subst.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydroovalicine subst.",NA,"CC(C)CCC1C(O1)(C)C2(C(C(=O)CCC23CO3)OC)O","HEUGEMJVVOMBIB-UHFFFAOYSA-N",284996,NA,"PDBC34549","141539","Present",NA,NA
+"34550","Dihydroperillic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIHYDROPERILLIC ACID",NA,"CC(=C)C1CCC(CC1)C(=O)O","XZOBEDLKVOHSSH-UHFFFAOYSA-N",381256,NA,"PDBC34550","667674","Present",NA,NA
+"34551","Dihydropyridone indazole amide 13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK466314A",NA,"CC1=C2C=C(C=CC2=NN1)NC(=O)C3=C(NC(=O)CC3C4=CC=C(C=C4)C(F)(F)F)C","HKWUUOHQLQALHL-UHFFFAOYSA-N",11453116,NA,"PDBC34551","756174","Present",NA,NA
+"34552","Dihydroresveratrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydroresveratrol",NA,"C1=CC(=CC=C1CCC2=CC(=CC(=C2)O)O)O","HITJFUSPLYBJPE-UHFFFAOYSA-N",185914,NA,"PDBC34552","723534","Present",NA,NA
+"34553","Dihydrorobinetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FLAVANONE, 3, 3',4',5',7-PENTAHYDROXY",NA,"C1=CC2=C(C=C1O)OC(C(C2=O)O)C3=CC(=C(C(=C3)O)O)O","VSJCDPYIMBSOKN-UHFFFAOYSA-N",20399,NA,"PDBC34553","59266","Present",NA,NA
+"34554","Dihydrosinularin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydrosinularin",NA,"CC1C2CCC3(C(O3)CCC(=CCCC(C(C2)OC1=O)(C)O)C)C","WDEIQHZSEQJHHX-AWNIVKPZSA-N",5358849,NA,"PDBC34554","285707","Present",NA,NA
+"34555","Dihydrotomatidine B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydrotomatidine",NA,"CC1CCC(NC1)C(C)C2C(CC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C)O","PNCADIYJKRZFGU-HRRTYWNUSA-N",232384,NA,"PDBC34555","71297","Present",NA,NA
+"34556","Dihydrotriazine derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydrotriazine derivative",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)CCCCC3=C(C=C(C=C3)S(=O)(=O)F)Cl)Cl)N)N)C","JNVLQWBZTYBYKN-UHFFFAOYSA-N",160202,NA,"PDBC34556","127755","Present",NA,NA
+"34557","Dihydroxanthinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydroxanthinin",NA,"CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(C(=O)O2)C","XXKCCBFCBFYRGB-UHFFFAOYSA-N",282782,NA,"PDBC34557","136703","Present",NA,NA
+"34558","Dihydroxy(oxo)ammonium; diphenyliodonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenyliodonium nitrate",NA,"C1=CC=C(C=C1)[I+]C2=CC=CC=C2.[N+](=O)(O)O","NIISOMRNXDBVNL-UHFFFAOYSA-N",6332372,NA,"PDBC34558","90597","Present",NA,NA
+"34559","Dihydroxy(oxo)azanium;16,17,18,19-tetrahydro-3H-yohimban-13-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC127571///SEMPERVIRINE, NITRATE, DIHYDRATE",NA,"C1CCC2=C[N+]3=C(C=C2C1)C4=C(C=C3)C5=CC=CC=C5N4.[N+](=O)(O)O","NYLUYOANENVLBH-UHFFFAOYSA-O",6332663,NA,"PDBC34559","127571///407299","Present",NA,NA
+"34560","Dihydroxy(oxo)azanium;3-N,3-N,6-N,6-N,2,7,10-heptamethylacridin-10-ium-3,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dihydroxy(oxo)azanium;3-N,3-N,6-N,6-N,2,7,10-heptamethylacridin-10-ium-3,6-diamine",NA,"CC1=CC2=CC3=C(C=C(C(=C3)C)N(C)C)[N+](=C2C=C1N(C)C)C.[N+](=O)(O)O","YLFQLTHKSZCWDN-UHFFFAOYSA-N",6332023,NA,"PDBC34560","34606","Present",NA,NA
+"34561","Diindeno[1,2-c:1,2-e]pyridazin-12(7H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11,12-Diazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-20-one",NA,"C1C2=CC=CC=C2C3=C1N=NC4=C3C(=O)C5=CC=CC=C54","DXLRHOVMJIANEN-UHFFFAOYSA-N",387040,NA,"PDBC34561","680360","Present",NA,NA
+"34562","Diindolo[2,2-h]quinolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diindolo[2,3-a:3,2-h]quinolizine",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=C5C(=C6C=CC=CC6=N5)C=CN4C=C3","MNJDUMFRXPRNJB-UHFFFAOYSA-N",386223,NA,"PDBC34562","677939","Present",NA,NA
+"34563","Diiodobenzotepa",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dijodbenzotef",NA,"C1CN1P(=O)(NC(=O)C2=C(C=CC(=C2)I)I)N3CC3","BFKKCDNAUZMDOX-UHFFFAOYSA-N",98818,NA,"PDBC34563","167781","Present",NA,NA
+"34564","Diisobutyl 2,2,2-trifluoro-1-((phenylsulfonyl)amino)-1-(trifluoromethyl)ethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-Diisobutoxyphosphoryl-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]benzenesulfonamide",NA,"CC(C)COP(=O)(C(C(F)(F)F)(C(F)(F)F)NS(=O)(=O)C1=CC=CC=C1)OCC(C)C","QZYYWKNKUGBERL-UHFFFAOYSA-N",389109,NA,"PDBC34564","684794","Present",NA,NA
+"34565","Diisopropoxybis(1,4-naphthochinone-2-olato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diisopropoxybis(1,4-naphthochinone-2-olato)titanium(IV)",NA,"CC(C)[O-].CC(C)[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].[Ti+4]","GBPDRFJBZLKMDG-UHFFFAOYSA-L",368058,NA,"PDBC34565","638383","Present",NA,NA
+"34566","Diisopropoxybis(chinoline-8-olato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diisopropoxybis(chinoline-8-olato)titanium(IV)",NA,"CC(C)[O-].CC(C)[O-].C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.[Ti+4]","OMVMRNPAGFQJLL-UHFFFAOYSA-L",24202322,NA,"PDBC34566","638737","Present",NA,NA
+"34567","Diisopropoxybis(tropolonato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diisopropoxybis(tropolonato)titanium(IV)",NA,"CC(C)[O-].CC(C)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Ti+4]","QYDZMNXGGJLJFG-UHFFFAOYSA-L",368274,NA,"PDBC34567","638738","Present",NA,NA
+"34568","Diisopropyl ((2-hydroxyethyl)amino)-4-(hydroxy(oxido)amino)benzohydrazonoylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Diisopropoxyphosphoryl-N-(2-hydroxyethyl)-N'-(4-nitroanilino)formamidine",NA,"CC(C)OP(=O)(C(=NCCO)NNC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C","KYYFLYIYFJNJMX-UHFFFAOYSA-N",3786165,NA,"PDBC34568","652146","Present",NA,NA
+"34569","Diisopropyl (1-hydroxy-1-methylethyl)phosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT021245",NA,"CC(C)OP(=O)(C(C)(C)O)OC(C)C","RNKXVPYDSTZDJD-UHFFFAOYSA-N",389110,NA,"PDBC34569","684795","Present",NA,NA
+"34570","Diisopropyl (4R,5R)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-trans-4,5-Bis[isopropoxycarbonyl]-2,2-dimethyl-1,3-d...",NA,"CC(C)OC(=O)C1C(OC(O1)(C)C)C(=O)OC(C)C","DSGKZMJPCBCYID-NXEZZACHSA-N",6712406,NA,"PDBC34570","680766","Present",NA,NA
+"34571","Diisopropyl 2-phosphono-3-(2-furan)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diisopropyl 2-phosphono-3-(2-furan)acrylonitrile",NA,"CC(C)OP(=O)(C(=CC1=CC=CO1)C#N)OC(C)C","HDHNSCQFOVIPGX-MDWZMJQESA-N",5467928,NA,"PDBC34571","660149","Present",NA,NA
+"34572","Diisopropyl 2-phosphono-3-(3-indole)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diisopropyl 2-phosphono-3-(3-indole)acrylonitrile",NA,"CC(C)OP(=O)(C(=CC1=CNC2=CC=CC=C21)C#N)OC(C)C","NQAGBAGRZOZXKP-OQLLNIDSSA-N",5467935,NA,"PDBC34572","660157","Present",NA,NA
+"34573","Diisopropyl 4-(hydroxy(oxido)amino)(iodo)benzohydrazonoylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-1-Diisopropoxyphosphoryl-N-(4-nitrophenyl)methanehydrazonoyl iodide",NA,"CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])I)OC(C)C","VVNVYPJCGGFPJG-DTQAZKPQSA-N",9571401,NA,"PDBC34573","652130","Present",NA,NA
+"34574","Diisopropyl anilino-4-(hydroxy(oxido)amino)benzohydrazonoylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Diisopropoxyphosphoryl-N'-(4-nitroanilino)-N-phenyl-formamidine",NA,"CC(C)OP(=O)(C(=NC1=CC=CC=C1)NNC2=CC=C(C=C2)[N+](=O)[O-])OC(C)C","VKNHYBZDZGQMPB-UHFFFAOYSA-N",3720350,NA,"PDBC34574","652147","Present",NA,NA
+"34575","Diisopropyl benzothioylamidophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diisopropyl benzothioylamidophosphate",NA,"CC(C)OP(=O)(NC(=S)C1=CC=CC=C1)OC(C)C","JQNWBPBVDCWKDM-UHFFFAOYSA-N",3004396,NA,"PDBC34575","650440","Present",NA,NA
+"34576","Diisopropyl benzoyl(2-(4-(hydroxy(oxido)amino)phenyl)hydrazino)carbohydrazonoylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[Diisopropoxyphosphoryl-[2-(4-nitrophenyl)hydrazino]methylene]amino]benzamide",NA,"CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])NNC(=O)C2=CC=CC=C2)OC(C)C","OXSKGHKMGCFXRY-UHFFFAOYSA-N",9556178,NA,"PDBC34576","652142","Present",NA,NA
+"34577","Diisopropyl chloro-4-(hydroxy(oxido)amino)benzohydrazonoylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-1-Diisopropoxyphosphoryl-N-(4-nitrophenyl)methanehydrazonoyl chloride",NA,"CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])Cl)OC(C)C","QOKQRXXZPBPCKX-DTQAZKPQSA-N",9555908,NA,"PDBC34577","652137","Present",NA,NA
+"34578","Diisopropyl fluoro-4-(hydroxy(oxido)amino)benzohydrazonoylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1E)-1-Diisopropoxyphosphoryl-N-(4-nitrophenyl)methanehydrazonoyl fluoride",NA,"CC(C)OP(=O)(C(=NNC1=CC=C(C=C1)[N+](=O)[O-])F)OC(C)C","ZGEQZTHCQQNBQF-DTQAZKPQSA-N",9571402,NA,"PDBC34578","652131","Present",NA,NA
+"34579","Diisopropyl flurophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diisopropyl flurophosphate",NA,"CCOCP(=O)(COCC)F","KEWLCECWOZTPIE-UHFFFAOYSA-N",24203253,NA,"PDBC34579","727370","Present",NA,NA
+"34580","Diisopropyl phenyl(3-(trifluoromethyl)anilino)methylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diisopropyl phenyl(3-(trifluoromethyl)anilino)methylphosphonate",NA,"CC(C)OP(=O)(C(C1=CC=CC=C1)NC2=CC=CC(=C2)C(F)(F)F)OC(C)C","AYIWGPDNEAZTHT-UHFFFAOYSA-N",385494,NA,"PDBC34580","676743","Present",NA,NA
+"34581","Diketocoriolin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diketocoriolin b",NA,"CCCCCCCC(=O)OC1C2C(CC1(C)C)C(=O)C34C2(C5(CO5)C(=O)C3O4)C","WEFMOIXWHANDPP-BAPOVYBWSA-N",294475,NA,"PDBC34581","163027","Present",NA,NA
+"34582","Dilauryl phosphite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dilauryl phosphite",NA,"CCCCCCCCCCCCO[P+](=O)OCCCCCCCCCCCC","QBCOASQOMILNBN-UHFFFAOYSA-N",6327798,NA,"PDBC34582","41924","Present",NA,NA
+"34583","Dillapional",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dillapional",NA,"COC1=C(C2=C(C=C1C=CC=O)OCO2)OC","UQBPCDWQJZVCPU-ONEGZZNKSA-N",5458880,NA,"PDBC34583","369504","Present",NA,NA
+"34584","Dimacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimacrone",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)C","FQBPSNDGSYTJBT-UHFFFAOYSA-N",364460,NA,"PDBC34584","630721","Present",NA,NA
+"34585","Dimefline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"demefline///malivan",NA,"CC1=C(OC2=C(C1=O)C=CC(=C2CN(C)C)OC)C3=CC=CC=C3","ZXFQRFXLFWWKLX-UHFFFAOYSA-N",3078,NA,"PDBC34585","114650///169869","Present",NA,NA
+"34586","Dimetacrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethacrin",NA,"CC1(C2=CC=CC=C2N(C3=CC=CC=C31)CCCN(C)C)C","RYQOGSFEJBUZBX-UHFFFAOYSA-N",94280,NA,"PDBC34586","100297","Present",NA,NA
+"34587","Dimethane sulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzaldehyde (BEN)",NA,"CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=O","CQVKMVQRSNNAGO-UHFFFAOYSA-N",322931,NA,"PDBC34587","281612","Present",NA,NA
+"34588","Dimethoxy-azatoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethoxy-azatoxin",NA,"C1C2COC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC=C(C=C5)O","UIBKJYMACSEZBK-KPZWWZAWSA-N",381590,NA,"PDBC34588","668381","Present",NA,NA
+"34589","Dimethyl (1R)-5,6,7-trimethoxy-1-(2,3,4-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (1R)-5,6,7-trimethoxy-1-(2,3,4-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate",NA,"COC1=C(C(=C(C=C1)C2C(C(=CC3=C(C(=C(C=C23)OC)OC)OC)C(=O)OC)C(=O)OC)OC)OC","DRCSWTONBOMEIL-XJDOXCRVSA-N",359008,NA,"PDBC34589","619220","Present",NA,NA
+"34590","Dimethyl (1R,2R,3R,4R)-1,4-dimethyl-2,3,4,11-tetrahydro-1H-benzo[a]carbazole-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl(1r,2r,3r,4r)-1,4-dimethyl-2,3,4,11-tetrahydro-1h-benzo[a]carbazole-2,3-dicarboxylate",NA,"CC1C(C(C(C2=C1C=CC3=C2NC4=CC=CC=C34)C)C(=O)OC)C(=O)OC","SYKFZNOIYOZPSV-LFSCOCTRSA-N",398953,NA,"PDBC34590","709322","Present",NA,NA
+"34591","Dimethyl (1S)-4-hydroxy-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (1S)-4-hydroxy-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(=C(C3=CC(=C(C(=C23)OC)OC)OC)O)C(=O)OC)C(=O)OC","WLIZYSNULHDOIJ-KKFHFHRHSA-N",54676214,NA,"PDBC34591","619219","Present",NA,NA
+"34592","Dimethyl (1S)-5,7,8-trimethoxy-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (1S)-5,7,8-trimethoxy-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate",NA,"COC1=CC(=C(C=C1C2C(C(=CC3=C2C(=C(C=C3OC)OC)OC)C(=O)OC)C(=O)OC)OC)OC","YHZOHVLWMUBGAD-BBQAJUCSSA-N",359067,NA,"PDBC34592","619535","Present",NA,NA
+"34593","Dimethyl (1S)-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (1S)-6,7,8-trimethoxy-1-(3,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene-2,3-dicarboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(=CC3=CC(=C(C(=C23)OC)OC)OC)C(=O)OC)C(=O)OC","IMZGATWONIEBEF-ZQRQZVKFSA-N",359002,NA,"PDBC34593","619214","Present",NA,NA
+"34594","Dimethyl (1S,2R,2'S,5R,5'S,6R,8aS)-2-acetyloxy-5'-(furan-3-yl)-2'-methoxy-6-methylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,3'-oxolane]-1,8a-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (1S,2R,2'S,5R,5'S,6R,8aS)-2-acetyloxy-5'-(furan-3-yl)-2'-methoxy-6-methylspiro[1,2,3,4,4a,6,7,8-octahydronaphthalene-5,3'-oxolane]-1,8a-dicarboxylate",NA,"CC1CCC2(C(C13CC(OC3OC)C4=COC=C4)CCC(C2C(=O)OC)OC(=O)C)C(=O)OC","ACOXDRXRKBLMHL-YVNDCLQCSA-N",390653,NA,"PDBC34594","688256","Present",NA,NA
+"34595","Dimethyl (1S,2S,6S,8S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (1S,2S,6S,8S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate",NA,"CC1(OC2C3C(CCC4=NOC(C34C(=O)OC)(C(C2O1)O[Si](C)(C)C(C)(C)C)C(=O)OC)OCC5=CC=CC=C5)C","DMRYIWCLYGZUHQ-SVEMFVIQSA-N",360860,NA,"PDBC34595","623521","Present",NA,NA
+"34596","Dimethyl (1S,2S,8S,11R,13S,14S)-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-2,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (1S,2S,8S,11R,13S,14S)-11-methyl-6,9,16-trioxo-4-(3-oxoprop-1-en-2-yl)-15,17,18-trioxatetracyclo[11.2.2.18,11.01,14]octadecane-2,7-dicarboxylate",NA,"CC12CC3C4C(O4)(C(CC(CC(=O)C(C(O1)C(=O)C2)C(=O)OC)C(=C)C=O)C(=O)OC)C(=O)O3","LGRJLHIJDAQIMR-TXWNJPJDSA-N",54612712,NA,"PDBC34596","732949","Present",NA,NA
+"34597","Dimethyl (1S,7S,8S,9S,10S,12S)-9,10-diacetyloxy-11-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-2-oxa-3-azatricyclo[6.3.1.04,12]dodec-3-ene-1,12-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (1S,7S,8S,9S,10S,12S)-9,10-diacetyloxy-11-[tert-butyl(dimethyl)silyl]oxy-7-phenylmethoxy-2-oxa-3-azatricyclo[6.3.1.04,12]dodec-3-ene-1,12-dicarboxylate",NA,"CC(=O)OC1C2C(CCC3=NOC(C23C(=O)OC)(C(C1OC(=O)C)O[Si](C)(C)C(C)(C)C)C(=O)OC)OCC4=CC=CC=C4","FFOBGGKXRFBRKK-IEKODYKCSA-N",360859,NA,"PDBC34597","623520","Present",NA,NA
+"34598","Dimethyl (1S,8S,14S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (1S,8S,14S,15S)-7-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyl-14-phenylmethoxy-3,5,9-trioxa-10-azatetracyclo[6.6.1.02,6.011,15]pentadec-10-ene-8,15-dicarboxylate",NA,"CC1(OC2C3C(CCC4=NOC(C34C(=O)OC)(C(C2O1)O[Si](C)(C)C(C)(C)C)C(=O)OC)OCC5=CC=CC=C5)C","DMRYIWCLYGZUHQ-DHLUTYDOSA-N",360858,NA,"PDBC34598","623519","Present",NA,NA
+"34599","Dimethyl (2-(phenylthio)ethyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl [2-(phenylthio)ethyl]malonate",NA,"COC(=O)C(CCSC1=CC=CC=C1)C(=O)OC","SRAYJSYVBOONEG-UHFFFAOYSA-N",390699,NA,"PDBC34599","688340","Present",NA,NA
+"34600","Dimethyl (2R)-2-(1,3-benzodioxol-5-yl)-5-oxooxolane-3,4-dicarboxylate;dimethyl (2R,4S)-2-(1,3-benzodioxol-5-yl)-5-oxooxolane-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (2R)-2-(1,3-benzodioxol-5-yl)-5-oxooxolane-3,4-dicarboxylate;dimethyl (2R,4S)-2-(1,3-benzodioxol-5-yl)-5-oxooxolane-3,4-dicarboxylate",NA,"COC(=O)C1C(C(=O)OC1C2=CC3=C(C=C2)OCO3)C(=O)OC.COC(=O)C1C(C(=O)OC1C2=CC3=C(C=C2)OCO3)C(=O)OC","OHGCURSTYJMIOP-YMESYPKUSA-N",360105,NA,"PDBC34600","621963","Present",NA,NA
+"34601","Dimethyl (2R)-2-(2,4-dimethoxyphenyl)-5-oxooxolane-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (2R)-2-(2,4-dimethoxyphenyl)-5-oxooxolane-3,4-dicarboxylate",NA,"COC1=CC(=C(C=C1)C2C(C(C(=O)O2)C(=O)OC)C(=O)OC)OC","WXXYUMGJJMHAMD-BPCQOVAHSA-N",359070,NA,"PDBC34601","619538","Present",NA,NA
+"34602","Dimethyl (2R)-2-(4-methoxyphenyl)-5-oxooxolane-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (2R)-2-(4-methoxyphenyl)-5-oxooxolane-3,4-dicarboxylate",NA,"COC1=CC=C(C=C1)C2C(C(C(=O)O2)C(=O)OC)C(=O)OC","FGVSVWWUVOUBPM-MCIGGMRASA-N",359071,NA,"PDBC34602","619539","Present",NA,NA
+"34603","Dimethyl (2R)-3-methylidenecyclopropane-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700123",NA,"COC(=O)C1C(C1=C)C(=O)OC","BBYRCAPYYSBUQL-ZBHICJROSA-N",395482,NA,"PDBC34603","700123","Present",NA,NA
+"34604","Dimethyl (2S,4aR,4bS,6aS,11aS,11bR)-2,7-dihydroxy-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthrene-9,10-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (2S,4aR,4bS,6aS,11aS,11bR)-2,7-dihydroxy-4a,6a-dimethyl-2,3,4,4b,5,6,11,11a,11b,12-decahydro-1H-indeno[2,1-a]phenanthrene-9,10-dicarboxylate",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC5=C(C(=CC(=C54)O)C(=O)OC)C(=O)OC)C)O","PUSREACFDNWXQI-PCFWKXQRSA-N",247745,NA,"PDBC34604","63010","Present",NA,NA
+"34605","Dimethyl (2Z)-2-(dimethylcarbamothioylimino)-3-phenyl-1,3-thiazole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (2Z)-2-(dimethylcarbamothioylimino)-3-phenyl-1,3-thiazole-4,5-dicarboxylate",NA,"CN(C)C(=S)N=C1N(C(=C(S1)C(=O)OC)C(=O)OC)C2=CC=CC=C2","UMROEGIKPVPXNY-MSUUIHNZSA-N",9569858,NA,"PDBC34605","622583","Present",NA,NA
+"34606","Dimethyl (2Z)-3-(4-chlorophenyl)-2-(dimethylcarbamothioylimino)-1,3-thiazole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (2Z)-3-(4-chlorophenyl)-2-(dimethylcarbamothioylimino)-1,3-thiazole-4,5-dicarboxylate",NA,"CN(C)C(=S)N=C1N(C(=C(S1)C(=O)OC)C(=O)OC)C2=CC=C(C=C2)Cl","XEXGXWWKANCFDQ-VLGSPTGOSA-N",9569859,NA,"PDBC34606","622584","Present",NA,NA
+"34607","Dimethyl (3R,5S)-5-ethenyl-6-oxa-11,18-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(18),7,10,12,14,16-hexaene-3,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (3R,5S)-5-ethenyl-6-oxa-11,18-diazatetracyclo[8.8.0.03,7.012,17]octadeca-1(18),7,10,12,14,16-hexaene-3,8-dicarboxylate",NA,"COC(=O)C1=C2C(CC(O2)C=C)(CC3=NC4=CC=CC=C4N=C3C1)C(=O)OC","GZGXPWMQFYHFLO-GTJPDFRWSA-N",397777,NA,"PDBC34607","706200","Present",NA,NA
+"34608","Dimethyl (3S,5R)-2-oxo-5-(2,3,4-trimethoxyphenyl)oxolane-3,4-dicarboxylate;dimethyl (5R)-2-oxo-5-(2,3,4-trimethoxyphenyl)oxolane-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (3S,5R)-2-oxo-5-(2,3,4-trimethoxyphenyl)oxolane-3,4-dicarboxylate;dimethyl (5R)-2-oxo-5-(2,3,4-trimethoxyphenyl)oxolane-3,4-dicarboxylate",NA,"COC1=C(C(=C(C=C1)C2C(C(C(=O)O2)C(=O)OC)C(=O)OC)OC)OC.COC1=C(C(=C(C=C1)C2C(C(C(=O)O2)C(=O)OC)C(=O)OC)OC)OC","LCOYAAUOSUZDOJ-YMESYPKUSA-N",360102,NA,"PDBC34608","621962","Present",NA,NA
+"34609","Dimethyl (3S,5R)-2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate;dimethyl (5R)-2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (3S,5R)-2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate;dimethyl (5R)-2-oxo-5-(2,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate",NA,"COC1=CC(=C(C=C1C2C(C(C(=O)O2)C(=O)OC)C(=O)OC)OC)OC.COC1=CC(=C(C=C1C2C(C(C(=O)O2)C(=O)OC)C(=O)OC)OC)OC","VPWJPPXNICJDBZ-CEOGMKBFSA-N",360099,NA,"PDBC34609","621961","Present",NA,NA
+"34610","Dimethyl (3S,5R)-2-oxo-5-(3,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (3S,5R)-2-oxo-5-(3,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(C(=O)O2)C(=O)OC)C(=O)OC","ONJVECHHDILUID-SPOOISQMSA-N",359068,NA,"PDBC34610","619536","Present",NA,NA
+"34611","Dimethyl (3S,5R)-5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxybenzoyl)-2-oxooxolane-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (3S,5R)-5-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxybenzoyl)-2-oxooxolane-3,4-dicarboxylate",NA,"COC1=C(C=C(C=C1)C(=O)C2(C(C(OC2=O)C3=CC4=C(C=C3)OCO4)C(=O)OC)C(=O)OC)OC","FDQNWYFLRYYYSB-GRZKKUKKSA-N",6711356,NA,"PDBC34611","622095","Present",NA,NA
+"34612","Dimethyl (4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (4bS)-4b,8,8-trimethyl-5,6,7,8a,9,10-hexahydrophenanthrene-2,3-dicarboxylate",NA,"CC1(CCCC2(C1CCC3=CC(=C(C=C32)C(=O)OC)C(=O)OC)C)C","DEZJLRNOZZMFMJ-FBLFFUNLSA-N",405112,NA,"PDBC34612","722066","Present",NA,NA
+"34613","Dimethyl (5R)-3-(1,3-benzodioxole-5-carbonyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (5R)-3-(1,3-benzodioxole-5-carbonyl)-2-oxo-5-(3,4,5-trimethoxyphenyl)oxolane-3,4-dicarboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(C(=O)O2)(C(=O)C3=CC4=C(C=C3)OCO4)C(=O)OC)C(=O)OC","OHQGOYFQERXHDI-CSKUQDPHSA-N",359072,NA,"PDBC34613","619540","Present",NA,NA
+"34614","Dimethyl (5S,8S,9S,11R)-8-(dimethoxymethyl)-10-azatricyclo[6.3.1.01,5]dodecane-9,11-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,5S,8S,9S,11R)-(-)-8-Dimethoxymethyl-10-azatricyclo[6...",NA,"COC(C12CCC3CCCC3(C1)C(NC2C(=O)OC)C(=O)OC)OC","CUUOZJHAEBIRFT-PPXGJUPPSA-N",6711991,NA,"PDBC34614","650704","Present",NA,NA
+"34615","Dimethyl (6R,7R,8R,9R)-7-(3-chlorophenyl)-9-hydroxy-9-methyl-1-thia-4-azaspiro[4.5]decane-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (6R,7R,8R,9R)-7-(3-chlorophenyl)-9-hydroxy-9-methyl-1-thia-4-azaspiro[4.5]decane-6,8-dicarboxylate",NA,"CC1(CC2(C(C(C1C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)OC)NCCS2)O","KYHPLRLVDSNBCZ-MUJFYMCSSA-N",398949,NA,"PDBC34615","709317","Present",NA,NA
+"34616","Dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.2.2.14,7.18,11]icosa-1(17),4,7,10,14(18),15-hexaene-5,10-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.2.2.14,7.18,11]icosa-1(17),4,7,10,14(18),15-hexaene-5,10-dicarboxylate",NA,"COC(=O)C1=C2SCC3=CC=C(CSC4=C(SC(=C(S1)S2)S4)C(=O)OC)C=C3","CLDVCZLYYIWDSV-ZCXUNETKSA-N",5470903,NA,"PDBC34616","706168","Present",NA,NA
+"34617","Dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.3.1.14,7.18,11]icosa-1(18),4,7,10,14,16-hexaene-5,10-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (7Z)-3,6,9,12,19,20-hexathiatetracyclo[12.3.1.14,7.18,11]icosa-1(18),4,7,10,14,16-hexaene-5,10-dicarboxylate",NA,"COC(=O)C1=C2SCC3=CC(=CC=C3)CSC4=C(SC(=C(S1)S2)S4)C(=O)OC","JHZIHZXDPMUEPL-ZCXUNETKSA-N",5470904,NA,"PDBC34617","706169","Present",NA,NA
+"34618","Dimethyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(=C(C3=CC4=C(C=C23)OCO4)O)C(=O)OC)C(=O)OC","GNSDRGXYVBTJDQ-OYKVQYDMSA-N",54676213,NA,"PDBC34618","619218","Present",NA,NA
+"34619","Dimethyl (8S)-8-(1,3-benzodioxol-5-yl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (8S)-8-(1,3-benzodioxol-5-yl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate",NA,"COC(=O)C1C(C2=CC3=C(C=C2C=C1C(=O)OC)OCO3)C4=CC5=C(C=C4)OCO5","HSQNZAUVIJBJOR-XJDOXCRVSA-N",359004,NA,"PDBC34619","619216","Present",NA,NA
+"34620","Dimethyl (E)-2,3-bis[(2,4,6-trimethylphenyl)selanyl]but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (E)-2,3-bis[(2,4,6-trimethylphenyl)selanyl]but-2-enedioate",NA,"CC1=CC(=C(C(=C1)C)[Se]C(=C(C(=O)OC)[Se]C2=C(C=C(C=C2C)C)C)C(=O)OC)C","CTXRTQSZWDHWMW-QURGRASLSA-N",3005843,NA,"PDBC34620","626153","Present",NA,NA
+"34621","Dimethyl (E)-2-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-5-yl)but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (E)-2-(2-methyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-5-yl)but-2-enedioate",NA,"CC1=C2C=C(C=C2C=CC3=C1NC4=CC=CC=C34)C(=CC(=O)OC)C(=O)OC","LNVNVXHHXKQRJY-XDHOZWIPSA-N",5471609,NA,"PDBC34621","711959","Present",NA,NA
+"34622","Dimethyl (E)-3-[5-[(3aS,4S,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]tetrazol-1-yl]pent-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (E)-3-[5-[(3aS,4S,6R,6aR)-2,2-dimethyl-6-(trityloxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]tetrazol-1-yl]pent-2-enedioate",NA,"CC1(OC2C(CC(C2O1)C3=NN=NN3C(=CC(=O)OC)CC(=O)OC)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C","SSRNEWVNIIULLI-SLAJDTBCSA-N",5472013,NA,"PDBC34622","715989","Present",NA,NA
+"34623","Dimethyl (Z)-2,5-bis(benzhydrylideneamino)hex-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (Z)-2,5-bis(benzhydrylideneamino)hex-2-enedioate",NA,"COC(=O)C(CC=C(C(=O)OC)N=C(C1=CC=CC=C1)C2=CC=CC=C2)N=C(C3=CC=CC=C3)C4=CC=CC=C4","FLBQJHMMSAZDNF-FAJYDZGRSA-N",5467349,NA,"PDBC34623","650984","Present",NA,NA
+"34624","Dimethyl (Z)-2-(4-methyl-2,5-dioxo-1H-oxazolo[3,2-a]quinolin-1-yl)but-2-enedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl (Z)-2-(4-methyl-2,5-dioxo-1H-oxazolo[3,2-a]quinolin-1-yl)but-2-enedioate",NA,"CC1=C2N(C(C(=O)O2)C(=CC(=O)OC)C(=O)OC)C3=CC=CC=C3C1=O","PKEJVWJQGRSKNY-FLIBITNWSA-N",5468507,NA,"PDBC34624","670993","Present",NA,NA
+"34625","Dimethyl 1',3'-dibenzyl-7,7-dimethyl-5-methylsulfanylspiro[8,8a-dihydro-4aH-thiochromene-4,2'-imidazolidine]-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1',3'-dibenzyl-7,7-dimethyl-5-methylsulfanylspiro[8,8a-dihydro-4aH-thiochromene-4,2'-imidazolidine]-2,3-dicarboxylate",NA,"CC1(CC2C(C(=C1)SC)C3(C(=C(S2)C(=O)OC)C(=O)OC)N(CCN3CC4=CC=CC=C4)CC5=CC=CC=C5)C","HFNMXHLBLCDVMK-UHFFFAOYSA-N",365698,NA,"PDBC34625","633552","Present",NA,NA
+"34626","Dimethyl 1,19,20,21,22,22-hexachloro-3,17-dioxo-6-azahexacyclo[17.2.1.02,18.04,16.05,13.07,12]docosa-2(18),4,7,9,11,13,15-heptaene-14,15-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1,19,20,21,22,22-hexachloro-3,17-dioxo-6-azahexacyclo[17.2.1.02,18.04,16.05,13.07,12]docosa-2(18),4,7,9,11,13,15-heptaene-14,15-dicarboxylate",NA,"COC(=O)C1=C2C3=CC=CC=C3NC2=C4C(=C1C(=O)OC)C(=O)C5=C(C4=O)C6(C(C(C5(C6(Cl)Cl)Cl)Cl)Cl)Cl","DZSXSEOBPROUOW-UHFFFAOYSA-N",403970,NA,"PDBC34626","719904","Present",NA,NA
+"34627","Dimethyl 1,2,3-trimethoxy-8-oxo-7,8-dihydrobenzo[3,4]cycloocta[1,2-f][1,3]benzodioxole-6,6(5H)-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3,4,5-trimethoxy-11-oxo-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene-9,9-dicarboxylate",NA,"COC1=C(C(=C2C(=C1)CC(CC(=O)C3=CC4=C(C=C32)OCO4)(C(=O)OC)C(=O)OC)OC)OC","KALCTKGAZPPMSC-UHFFFAOYSA-N",372676,NA,"PDBC34627","648209","Present",NA,NA
+"34628","Dimethyl 1,3-adamantanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_000989",NA,"COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)OC","YXMDGBXGJKYMQL-UHFFFAOYSA-N",365223,NA,"PDBC34628","632548","Present",NA,NA
+"34629","Dimethyl 1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylate",NA,"COC(=O)C1C(N(C(=O)N1CC2=CC=CC=C2)CC3=CC=CC=C3)C(=O)OC","BBTUUSONTSSVJB-UHFFFAOYSA-N",392709,NA,"PDBC34629","693426","Present",NA,NA
+"34630","Dimethyl 1,4-benzenedicarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1,4-benzenedicarbodithioate",NA,"CSC(=S)C1=CC=C(C=C1)C(=S)SC","VUEUPCUCWCUHRZ-UHFFFAOYSA-N",361856,NA,"PDBC34630","625177","Present",NA,NA
+"34631","Dimethyl 1,4-dihydro-1,2,4-triazine-3,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1,4-dihydro-1,2,4-triazine-3,6-dicarboxylate",NA,"COC(=O)C1=CN=C(NN1)C(=O)OC","WQVYUZDIZICNIW-UHFFFAOYSA-N",5465283,NA,"PDBC34631","644314","Present",NA,NA
+"34632","Dimethyl 1,4-dimethoxy-7-oxo-5,6,8,9-tetrahydrobenzo[7]annulene-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 6,9-Dimethoxy-3-oxo-1,2,4,5- tetrahydrobenzo[d]...",NA,"COC1=C2CC(C(=O)C(CC2=C(C=C1)OC)C(=O)OC)C(=O)OC","RNGXTNJXGLLHLP-UHFFFAOYSA-N",391588,NA,"PDBC34632","691043","Present",NA,NA
+"34633","Dimethyl 1,6,7,10-tetramethylfluoranthene-8,9-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1,6,7,10-tetramethylfluoranthene-8,9-dicarboxylate",NA,"CC1=C2C3=C(C(=C(C(=C3C4=C(C=CC(=C24)C=C1)C)C)C(=O)OC)C(=O)OC)C","GDGBSSOXLHZDQI-UHFFFAOYSA-N",393210,NA,"PDBC34633","694698","Present",NA,NA
+"34634","Dimethyl 1-(1-amino-2-(methylthio)-4-phenyl-1H-imidazol-5-yl)-1,2-hydrazinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-(1-amino-2-(methylthio)-4-phenyl-1H-imidazol-5-yl)-1,2-hydrazinedicarboxylate",NA,"COC(=O)NN(C1=C(N=C(N1N)SC)C2=CC=CC=C2)C(=O)OC","FEKWTCLUSWETGJ-UHFFFAOYSA-N",391867,NA,"PDBC34634","691530","Present",NA,NA
+"34635","Dimethyl 1-(2-methylbenzotriazol-5-yl)-6-oxo-pyridine-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-(2-methylbenzotriazol-5-yl)-6-oxo-pyridine-3,4-dicarboxylate",NA,"CN1N=C2C=CC(=CC2=N1)N3C=C(C(=CC3=O)C(=O)OC)C(=O)OC","ZEEFILGKBGEOPG-UHFFFAOYSA-N",391105,NA,"PDBC34635","689723","Present",NA,NA
+"34636","Dimethyl 1-(Diphenylmethylamino)piperonylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-(Diphenylmethylamino)piperonylphosphonate",NA,"COP(=O)(C(C1=CC2=C(C=C1)OCO2)NC(C3=CC=CC=C3)C4=CC=CC=C4)OC","LVEBSOJTMGFMTA-UHFFFAOYSA-N",24206024,NA,"PDBC34636","737732","Present",NA,NA
+"34637","Dimethyl 1-(acetylamino)-2-(1-acetyl-1H-indol-3-yl)vinylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2-(1-Acetylindol-3-yl)-1-dimethoxyphosphoryl-vinyl]acetamide",NA,"CC(=O)NC(=CC1=CN(C2=CC=CC=C21)C(=O)C)P(=O)(OC)OC","UWRXRAKZCFIVBJ-CXUHLZMHSA-N",5468401,NA,"PDBC34637","669638","Present",NA,NA
+"34638","Dimethyl 1-(dimethylcarbamothioyl)-6-methoxy-1H-isothiochromene-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-(dimethylcarbamothioyl)-6-methoxy-1H-isothiochromene-3,4-dicarboxylate",NA,"CN(C)C(=S)C1C2=C(C=C(C=C2)OC)C(=C(S1)C(=O)OC)C(=O)OC","DEKUESWYQJAQCF-UHFFFAOYSA-N",395135,NA,"PDBC34638","699426","Present",NA,NA
+"34639","Dimethyl 1-[(Z)-[[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-(4-methylphenyl)methylidene]amino]-2-(4-methylphenyl)pyrrole-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-[(Z)-[[(Z)-1,4-dimethoxy-1,4-dioxobut-2-en-2-yl]sulfanyl-(4-methylphenyl)methylidene]amino]-2-(4-methylphenyl)pyrrole-3,4-dicarboxylate",NA,"CC1=CC=C(C=C1)C2=C(C(=CN2N=C(C3=CC=C(C=C3)C)SC(=CC(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC","USLIIUZNBRDMEM-HXDMXOOOSA-N",9572290,NA,"PDBC34639","710336","Present",NA,NA
+"34640","Dimethyl 1-[diethoxyphosphoryl-(2,2,2-trichloroethoxycarbonylamino)methyl]triazole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-[diethoxyphosphoryl-(2,2,2-trichloroethoxycarbonylamino)methyl]triazole-4,5-dicarboxylate",NA,"CCOP(=O)(C(NC(=O)OCC(Cl)(Cl)Cl)N1C(=C(N=N1)C(=O)OC)C(=O)OC)OCC","PQUNNRWLKHHTOD-UHFFFAOYSA-N",385634,NA,"PDBC34640","676980","Present",NA,NA
+"34641","Dimethyl 1-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydro-2,3-naphthalenedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-hydroxy-5,8-dimethoxy-1,2,3,4-tetrahydro-2,3-naphthalenedicarboxylate",NA,"COC1=C2CC(C(C(C2=C(C=C1)OC)O)C(=O)OC)C(=O)OC","RWZOQXAXPWATJV-UHFFFAOYSA-N",383756,NA,"PDBC34641","672198","Present",NA,NA
+"34642","Dimethyl 1-methyl-1-((((trifluoromethyl)amino)carbonyl)amino)ethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(1-Dimethoxyphosphoryl-1-methyl-ethyl)-3-(trifluoromethyl)urea",NA,"CC(C)(NC(=O)NC(F)(F)F)P(=O)(OC)OC","KUYCOGUZUZBLSB-UHFFFAOYSA-N",382487,NA,"PDBC34642","670093","Present",NA,NA
+"34643","Dimethyl 1-methyl-3-oxo-7-oxaspiro[bicyclo[2.2.1]heptane-2,1'-cyclopropane]-5-ene-5,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-methyl-5-oxospiro[7-oxabicyclo[2.2.1]hept-2-ene-6,1'-cyclopropane]-2,3-dicarboxylate",NA,"CC12C(=C(C(O1)C(=O)C23CC3)C(=O)OC)C(=O)OC","FCSWUOPCGHYPLE-UHFFFAOYSA-N",361151,NA,"PDBC34643","623983","Present",NA,NA
+"34644","Dimethyl 1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1-methyl-4-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6,7-dicarboxylate",NA,"CC12CCC(=O)C(O1)C(=C2C(=O)OC)C(=O)OC","WSAZVAMDOGNEAV-UHFFFAOYSA-N",379169,NA,"PDBC34644","663581","Present",NA,NA
+"34645","Dimethyl 10-(benzenesulfonyl)-16-oxo-10-azatetracyclo[11.2.1.03,11.04,9]hexadeca-3(11),4,6,8-tetraene-1,13-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 10-(benzenesulfonyl)-16-oxo-10-azatetracyclo[11.2.1.03,11.04,9]hexadeca-3(11),4,6,8-tetraene-1,13-dicarboxylate",NA,"COC(=O)C12CCC(C1=O)(CC3=C(C2)C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C(=O)OC","HXWVIOWWKCGNNQ-UHFFFAOYSA-N",393786,NA,"PDBC34645","696474","Present",NA,NA
+"34646","Dimethyl 11-methyl-1,4-dioxo-4,11-dihydro-1H-benzo[a]carbazole-5,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 11-methyl-1,4-dioxo-4,11-dihydro-1H-benzo[a]carbazole-5,6-dicarboxylate",NA,"CN1C2=CC=CC=C2C3=C(C(=C4C(=O)C=CC(=O)C4=C31)C(=O)OC)C(=O)OC","XNNCTFKEVJTDGD-UHFFFAOYSA-N",378586,NA,"PDBC34646","661226","Present",NA,NA
+"34647","Dimethyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-10,11-dicarboxylate",NA,"COC(=O)C1=C(C2(C3=CC=CC=C3C(=O)C1N2C4CCCCC4)C5=CC=CC=C5)C(=O)OC","VXLDKAIUAGICGO-UHFFFAOYSA-N",394469,NA,"PDBC34647","697942","Present",NA,NA
+"34648","Dimethyl 15-(hydroxymethyl)-2-methyl-5,17-diazapentacyclo[9.5.2.02,10.03,8.012,16]octadeca-3(8),4,6,14,17-pentaene-7,11-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 15-(hydroxymethyl)-2-methyl-5,17-diazapentacyclo[9.5.2.02,10.03,8.012,16]octadeca-3(8),4,6,14,17-pentaene-7,11-dicarboxylate",NA,"CC12C(CC3=C1C=NC=C3C(=O)OC)C4(C=NC2C5C4CC=C5CO)C(=O)OC","RPTBJMRJQJWKHK-UHFFFAOYSA-N",386718,NA,"PDBC34648","679258","Present",NA,NA
+"34649","Dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 15-oxatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10,13-hexaene-13,14-dicarboxylate",NA,"COC(=O)C1=C(C2C3=CC4=CC=CC=C4C=C3C1O2)C(=O)OC","RRCFMWLKXOAGCC-UHFFFAOYSA-N",341502,NA,"PDBC34649","373814","Present",NA,NA
+"34650","Dimethyl 1H,3H-thieno[3,4-c]thiophene-4,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H,3H-Thieno[3,4-c]thiophene-4,6-dicarboxylic acid, dime...",NA,"COC(=O)C1=C2CSCC2=C(S1)C(=O)OC","HDPQZNXRHZRHPB-UHFFFAOYSA-N",363041,NA,"PDBC34650","627585","Present",NA,NA
+"34651","Dimethyl 1H,3H-thieno[3,4-c]thiophene-4,6-dicarboxylate 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 1H,3H-thieno[3,4-c]thiophene-4,6-dicarboxylate 2-oxide",NA,"COC(=O)C1=C2CS(=O)CC2=C(S1)C(=O)OC","UJGOGBRRIDWAAE-UHFFFAOYSA-N",363040,NA,"PDBC34651","627584","Present",NA,NA
+"34652","Dimethyl 2,10-bis(3-imino-5-oxo-2H-imidazo[2,1-c][1,2,4]triazol-6-yl)undecanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,10-bis(3-amino-5-oxo-5h-imidazo[2,1-c][1,2,4]triazol-6-yl)undecanedioate",NA,"COC(=O)C(CCCCCCCC(C1=C(N2C(=N)N=NC2=N1)O)C(=O)OC)C3=C(N4C(=N)N=NC4=N3)O","AZYAGTVTUPXTHF-UHFFFAOYSA-N",135503466,NA,"PDBC34652","636365","Present",NA,NA
+"34653","Dimethyl 2,11-bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,11-bis(benzyloxycarbonylamino)-2,11-bis(trifluoromethyl)dodeca-3,9-diynedioate",NA,"COC(=O)C(C#CCCCCC#CC(C(=O)OC)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","KEYPNBNTAABJBW-UHFFFAOYSA-N",371338,NA,"PDBC34653","645527","Present",NA,NA
+"34654","Dimethyl 2,11-diphenyldipyrrolo[1,2-a:2,1-c]quinoxaline-3,10-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4,9-diphenyl-2,11-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene-3,10-dicarboxylate",NA,"COC(=O)C1=C(C=C2N1C3=CC=CC=C3N4C2=CC(=C4C(=O)OC)C5=CC=CC=C5)C6=CC=CC=C6","BFFOXZBJILCARI-UHFFFAOYSA-N",370157,NA,"PDBC34654","642895","Present",NA,NA
+"34655","Dimethyl 2,2,2-trifluoro-1-phenyl-1-((trifluoroacetyl)amino)ethylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,2,2-trifluoro-1-phenyl-1-((trifluoroacetyl)amino)ethylphosphonate",NA,"COP(=O)(C(C1=CC=CC=C1)(C(F)(F)F)NC(=O)C(F)(F)F)OC","VAPHZVWKFRQWHC-UHFFFAOYSA-N",374222,NA,"PDBC34655","651711","Present",NA,NA
+"34656","Dimethyl 2,2-bis(2-cyanoethyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK679771",NA,"COC(=O)C(CCC#N)(CCC#N)C(=O)OC","UALIRWVABCZAEH-UHFFFAOYSA-N",373772,NA,"PDBC34656","650735","Present",NA,NA
+"34657","Dimethyl 2,3-di(1H-indazol-3-yl)succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,3-di(1H-indazol-3-yl)succinate",NA,"COC(=O)C(C1=C2C=CC=CC2=NN1)C(C3=C4C=CC=CC4=NN3)C(=O)OC","RFOAQAFAYCWQCW-UHFFFAOYSA-N",363335,NA,"PDBC34657","628192","Present",NA,NA
+"34658","Dimethyl 2,3-dimethoxy-7-oxo-7H-benzo[a]cycloheptene-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,3-dimethoxy-7-oxo-7H-benzo[a]cycloheptene-6,8-dicarboxylate",NA,"COC1=C(C=C2C=C(C(=O)C(=CC2=C1)C(=O)OC)C(=O)OC)OC","GNEJXCXDHOZNPA-UHFFFAOYSA-N",373413,NA,"PDBC34658","649668","Present",NA,NA
+"34659","Dimethyl 2,6-bis(3-(2-adamantylamino)-2,3-dioxopropyl)-3,5-pyridinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,6-bis(3-(2-adamantylamino)-2,3-dioxopropyl)-3,5-pyridinedicarboxylate",NA,"COC(=O)C1=CC(=C(N=C1CC(=O)C(=O)NC2C3CC4CC(C3)CC2C4)CC(=O)C(=O)NC5C6CC7CC(C6)CC5C7)C(=O)OC","HQYGAVJIPOCBLI-UHFFFAOYSA-N",369229,NA,"PDBC34659","640957","Present",NA,NA
+"34660","Dimethyl 2,6-dimethyl-4-(5-nitroimidazo[2,1-b][1,3]thiazol-6-yl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,6-dimethyl-4-(5-nitroimidazo[2,1-b]thiazol-6-yl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C2=C(N3C=CSC3=N2)[N+](=O)[O-])C(=O)OC","BFSNUBUISVVEOR-UHFFFAOYSA-N",396457,NA,"PDBC34660","702430","Present",NA,NA
+"34661","Dimethyl 2,6-dioxo-1-oxaspiro[4.6]undec-3-ene-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,6-dioxo-1-oxaspiro[4.6]undec-3-ene-3,4-dicarboxylate",NA,"COC(=O)C1=C(C2(CCCCCC2=O)OC1=O)C(=O)OC","WBGSAQJXPDKAJV-UHFFFAOYSA-N",364664,NA,"PDBC34661","631260","Present",NA,NA
+"34662","Dimethyl 2,7-bis((diisopropylamino)carbonyl)-1,4-cubanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,7-bis((diisopropylamino)carbonyl)-1,4-cubanedicarboxylate",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C2C3(C45C(=O)N(C(C)C)C(C)C)C(=O)OC)C(=O)OC","VROYESPOQMBPCW-UHFFFAOYSA-N",369217,NA,"PDBC34662","640923","Present",NA,NA
+"34663","Dimethyl 2-(((2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl)methyl)sulfinyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[(2-hydroxy-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)methylsulfinyl]bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate",NA,"CC1(C2CCC1(C(C2)O)CS(=O)C3(C4CC(C3C(=O)OC)C=C4)C(=O)OC)C","FBHFCDGJTNUPAA-UHFFFAOYSA-N",370377,NA,"PDBC34663","643443","Present",NA,NA
+"34664","Dimethyl 2-((1-piperidinylcarbothioyl)imino)-1,3-dithiole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-((1-piperidinylcarbothioyl)imino)-1,3-dithiole-4,5-dicarboxylate",NA,"COC(=O)C1=C(SC(=NC(=S)N2CCCCC2)S1)C(=O)OC","MUXJVWAXUQQCOV-UHFFFAOYSA-N",360472,NA,"PDBC34664","622604","Present",NA,NA
+"34665","Dimethyl 2-((2,6-dichloro-4-(hydroxy(oxido)amino)anilino)(oxo)acetyl)-3-oxosuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-{[(2,6-dichloro-4-nitrophenyl)amino](oxo)acetyl}-3-oxobutanedioate",NA,"COC(=O)C(C(=O)C(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl)C(=O)C(=O)OC","DADXGQMAOSSLEK-UHFFFAOYSA-N",372932,NA,"PDBC34665","648644","Present",NA,NA
+"34666","Dimethyl 2-((2,6-dimethylanilino)(oxo)acetyl)-3-oxosuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-((2,6-dimethylanilino)(oxo)acetyl)-3-oxosuccinate",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C(=O)C(=O)OC)C(=O)OC","UTWUDAUHLXBRDJ-UHFFFAOYSA-N",369848,NA,"PDBC34666","642045","Present",NA,NA
+"34667","Dimethyl 2-((2-((2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoyl)amino)-3-(4-((5-oxohexanoyl)amino)phenyl)propanoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[2-[[5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-[4-(5-oxohexanoylamino)phenyl]propanoyl]amino]pentanedioate",NA,"CC(=O)CCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NC(CCC(=O)OC)C(=O)OC)NC(=O)C(CCC(=O)OC)NC(=O)OC(C)(C)C","NKDJEBGWRVDILU-UHFFFAOYSA-N",382201,NA,"PDBC34667","669661","Present",NA,NA
+"34668","Dimethyl 2-((2-((2-((tert-butoxycarbonyl)amino)-5-methoxy-5-oxopentanoyl)amino)-3-(4-(hydroxy(oxido)amino)phenyl)propanoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[2-[[5-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]pentanedioate",NA,"CC(C)(C)OC(=O)NC(CCC(=O)OC)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCC(=O)OC)C(=O)OC","BALNNQJLIWSZRW-UHFFFAOYSA-N",382204,NA,"PDBC34668","669664","Present",NA,NA
+"34669","Dimethyl 2-((2-(aminocarbonyl)anilino)(oxo)acetyl)-3-oxosuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-((2-(aminocarbonyl)anilino)(oxo)acetyl)-3-oxosuccinate",NA,"COC(=O)C(C(=O)C(=O)NC1=CC=CC=C1C(=O)N)C(=O)C(=O)OC","NZDBOPVVNCJSDC-UHFFFAOYSA-N",372929,NA,"PDBC34669","648641","Present",NA,NA
+"34670","Dimethyl 2-((5-(hydroxy(oxido)amino)-2-methylanilino)(oxo)acetyl)-3-oxosuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-{[(2-methyl-5-nitrophenyl)amino](oxo)acetyl}-3-oxobutanedioate",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)C(C(=O)C(=O)OC)C(=O)OC","NEWZCRLXURYSLJ-UHFFFAOYSA-N",369556,NA,"PDBC34670","641420","Present",NA,NA
+"34671","Dimethyl 2-((aminocarbothioyl)hydrazono)-3-(oxo(4-toluidino)acetyl)succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-((aminocarbothioyl)hydrazono)-3-(oxo(4-toluidino)acetyl)succinate",NA,"CC1=CC=C(C=C1)NC(=O)C(=O)C(C(=NNC(=S)N)C(=O)OC)C(=O)OC","PPTHZKAVQOQLDA-ODLFYWEKSA-N",9554728,NA,"PDBC34671","642039","Present",NA,NA
+"34672","Dimethyl 2-((hydrazinocarbothioyl)hydrazono)-3-(oxo(3-(trifluoromethyl)anilino)acetyl)succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-((hydrazinocarbothioyl)hydrazono)-3-(oxo(3-(trifluoromethyl)anilino)acetyl)succinate",NA,"COC(=O)C(C(=NNC(=S)NN)C(=O)OC)C(=O)C(=O)NC1=CC=CC(=C1)C(F)(F)F","CKXCWLMEONDJCR-RMORIDSASA-N",9571361,NA,"PDBC34672","648617","Present",NA,NA
+"34673","Dimethyl 2-(1,2,3-tribromo-3-phenylpropyl)propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl(1,2,3-tribromo-3-phenylpropyl)propanedioate",NA,"COC(=O)C(C(C(C(C1=CC=CC=C1)Br)Br)Br)C(=O)OC","BNZPJJVZKBTFON-UHFFFAOYSA-N",278350,NA,"PDBC34673","127878","Present",NA,NA
+"34674","Dimethyl 2-(1,2-dimethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinolin-7-yl)-2-butenedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(1,2-dimethoxy-6-methyl-5,6-dihydro-4H-dibenzo[de,g]quinolin-7-yl)-2-butenedioate",NA,"CN1CCC2=CC(=C(C3=C2C1=C(C4=CC=CC=C43)C(=CC(=O)OC)C(=O)OC)OC)OC","OAKKXCBZUINRQN-LGMDPLHJSA-N",5387839,NA,"PDBC34674","628132","Present",NA,NA
+"34675","Dimethyl 2-(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(1,3-dibromo-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)propanedioate",NA,"COC(=O)C(C1CC(=O)C2=C(SC(=C12)Br)Br)C(=O)OC","PKVHYYOFMBUTSA-UHFFFAOYSA-N",399785,NA,"PDBC34675","710880","Present",NA,NA
+"34676","Dimethyl 2-(1-naphthyl)-5-phenyl-3,4-thiophenedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(1-naphthyl)-5-phenyl-3,4-thiophenedicarboxylate",NA,"COC(=O)C1=C(SC(=C1C(=O)OC)C2=CC=CC3=CC=CC=C32)C4=CC=CC=C4","QFBXMAQYDZFYCR-UHFFFAOYSA-N",363067,NA,"PDBC34676","627619","Present",NA,NA
+"34677","Dimethyl 2-(2-((3-(3-acetylanilino)-2,3-dioxopropyl)sulfonyl)ethyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(2-((3-(3-acetylanilino)-2,3-dioxopropyl)sulfonyl)ethyl)malonate",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)CS(=O)(=O)CCC(C(=O)OC)C(=O)OC","XAPAZSOEELAPEI-UHFFFAOYSA-N",369802,NA,"PDBC34677","641995","Present",NA,NA
+"34678","Dimethyl 2-(2-(2,5-dichloroanilino)-2-oxoethyl)-3-oxosuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(2-(2,5-dichloroanilino)-2-oxoethyl)-3-oxosuccinate",NA,"COC(=O)C(CC(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)C(=O)OC","OLOMZBJQFUNFBA-UHFFFAOYSA-N",364320,NA,"PDBC34678","630336","Present",NA,NA
+"34679","Dimethyl 2-(2-(2,6-dimethylanilino)-2-oxoethyl)-3-oxosuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(2-(2,6-dimethylanilino)-2-oxoethyl)-3-oxosuccinate",NA,"CC1=C(C(=CC=C1)C)NC(=O)CC(C(=O)C(=O)OC)C(=O)OC","VRADPTCPNYGQOF-UHFFFAOYSA-N",366330,NA,"PDBC34679","634678","Present",NA,NA
+"34680","Dimethyl 2-(2-(2-ethoxyanilino)-2-oxoethyl)-3-oxosuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(2-(2-ethoxyanilino)-2-oxoethyl)-3-oxosuccinate",NA,"CCOC1=CC=CC=C1NC(=O)CC(C(=O)C(=O)OC)C(=O)OC","CXVDXWAYJJEERK-UHFFFAOYSA-N",364314,NA,"PDBC34680","630332","Present",NA,NA
+"34681","Dimethyl 2-(2-(6-acetyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzylidene)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(2-(6-acetyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzylidene)malonate",NA,"CC(=O)C1=CC2=C(C=C1C3=C(C(=C(C=C3C=C(C(=O)OC)C(=O)OC)OC)OC)OC)OCO2","VDVNFCPTJLOSIN-UHFFFAOYSA-N",372672,NA,"PDBC34681","648205","Present",NA,NA
+"34682","Dimethyl 2-(3,4,5-trimethoxybenzyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(3,4,5-trimethoxybenzyl)malonate",NA,"COC1=CC(=CC(=C1OC)OC)CC(C(=O)OC)C(=O)OC","UHZPUECRIUNUCK-UHFFFAOYSA-N",372637,NA,"PDBC34682","648087","Present",NA,NA
+"34683","Dimethyl 2-(3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl)malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl)malonate",NA,"COC(=O)C(CCCN1C(=O)C2=CC=CC=C2C1=O)C(=O)OC","YQVNZFALOIPTDM-UHFFFAOYSA-N",362798,NA,"PDBC34683","627076","Present",NA,NA
+"34684","Dimethyl 2-(3-ethoxy-2-ethoxycarbonyl-2-hydroxy-3-oxo-propyl)-5-(3-formylphenyl)-5H-oxazole-4,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(3-ethoxy-2-ethoxycarbonyl-2-hydroxy-3-oxopropyl)-5-(3-formylphenyl)-5H-1,3-oxazole-4,4-dicarboxylate",NA,"CCOC(=O)C(CC1=NC(C(O1)C2=CC=CC(=C2)C=O)(C(=O)OC)C(=O)OC)(C(=O)OCC)O","PMRXXXRWAYRGTO-UHFFFAOYSA-N",395883,NA,"PDBC34684","700978","Present",NA,NA
+"34685","Dimethyl 2-(3-methoxy-1-(methoxycarbonyl)-3-oxo-2-(tributylphosphoranylidene)propylidene)-1,3-dithiole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[1,4-dimethoxy-1,4-dioxo-3-(tributyl-lambda5-phosphanylidene)butan-2-ylidene]-1,3-dithiole-4,5-dicarboxylate",NA,"CCCCP(=C(C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)(CCCC)CCCC","KWTOBZMTKCEYHB-UHFFFAOYSA-N",381862,NA,"PDBC34685","669032","Present",NA,NA
+"34686","Dimethyl 2-(4-(allyloxy)-3-methoxyphenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(4-(allyloxy)-3-methoxyphenyl)-4-hydroxy-6-oxo-4-phenyl-1,3-cyclohexanedicarboxylate",NA,"COC1=C(C=CC(=C1)C2C(C(=O)CC(C2C(=O)OC)(C3=CC=CC=C3)O)C(=O)OC)OCC=C","FKUGPXAADQCKAD-UHFFFAOYSA-N",386769,NA,"PDBC34686","679448","Present",NA,NA
+"34687","Dimethyl 2-(5-formyl-2-thienyl)-5-(2-thienyl)furan-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethyl 2-(5-formyl-2-thienyl)-5-(2-thienyl)furan-3,4-d...",NA,"COC(=O)C1=C(OC(=C1C(=O)OC)C2=CC=CS2)C3=CC=CS3","NETNESZNJQSIQG-UHFFFAOYSA-N",11198849,NA,"PDBC34687","726084","Present",NA,NA
+"34688","Dimethyl 2-(5-isopropyl-3,8-dimethyl-1-azulenyl)-2-butenedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(5-isopropyl-3,8-dimethyl-1-azulenyl)-2-butenedioate",NA,"CC1=C2C(=CC(=C2C=C(C=C1)C(C)C)C)C(=CC(=O)OC)C(=O)OC","XEKBMEPRVKNNFU-WQRHYEAKSA-N",5468316,NA,"PDBC34688","668420","Present",NA,NA
+"34689","Dimethyl 2-(dimethyl(phenylthio)germyl)succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(dimethyl(phenylthio)germyl)succinate",NA,"COC(=O)CC(C(=O)OC)[Ge](C)(C)SC1=CC=CC=C1","BCJPDPCRFUMDOA-UHFFFAOYSA-N",16683242,NA,"PDBC34689","650713","Present",NA,NA
+"34690","Dimethyl 2-(fluoromethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(fluoromethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)CF)C(=O)OC)C2=CC=CC3=C2OC4=CC=CC=C4C3=O)C(=O)OC","ZKKUXDWRQPUELU-UHFFFAOYSA-N",385014,NA,"PDBC34690","675868","Present",NA,NA
+"34691","Dimethyl 2-(phenyl(phenyldiazenyl)methylene)-1,3-dithiole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(phenyl(phenyldiazenyl)methylene)-1,3-dithiole-4,5-dicarboxylate",NA,"COC(=O)C1=C(SC(=C(C2=CC=CC=C2)N=NC3=CC=CC=C3)S1)C(=O)OC","IMSBIQYTCFACLN-UHFFFAOYSA-N",363872,NA,"PDBC34691","629163","Present",NA,NA
+"34692","Dimethyl 2-(tert-butylhydrazono)-3-((2,5-dichloroanilino)(oxo)acetyl)succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(tert-butylhydrazono)-3-((2,5-dichloroanilino)(oxo)acetyl)succinate",NA,"CC(C)(C)NN=C(C(C(=O)C(=O)NC1=C(C=CC(=C1)Cl)Cl)C(=O)OC)C(=O)OC","DNMHDDPDFHRGTO-XKZIYDEJSA-N",9571348,NA,"PDBC34692","646821","Present",NA,NA
+"34693","Dimethyl 2-[(1S,2S,6R,7R,8R,12S)-9,11-dioxo-10-oxa-3,5-dithiatetracyclo[5.5.1.02,6.08,12]tridecan-4-ylidene]-1,3-dithiole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[(1S,2S,6R,7R,8R,12S)-9,11-dioxo-10-oxa-3,5-dithiatetracyclo[5.5.1.02,6.08,12]tridecan-4-ylidene]-1,3-dithiole-4,5-dicarboxylate",NA,"COC(=O)C1=C(SC(=C2SC3C4CC(C3S2)C5C4C(=O)OC5=O)S1)C(=O)OC","VBRXTPAJGSYFJK-OVNJMVFWSA-N",398031,NA,"PDBC34693","707104","Present",NA,NA
+"34694","Dimethyl 2-[(2-nitrophenyl)hydrazono]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[(2-nitrophenyl)hydrazono]propanedioate",NA,"COC(=O)C(=NNC1=CC=CC=C1[N+](=O)[O-])C(=O)OC","IMKUXHWSDTWTAO-UHFFFAOYSA-N",361832,NA,"PDBC34694","625148","Present",NA,NA
+"34695","Dimethyl 2-[(2-nitrophenyl)methylidene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nci126224",NA,"COC(=O)C(=CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC","LKLMASCOTOBEMT-UHFFFAOYSA-N",277385,NA,"PDBC34695","126224","Present",NA,NA
+"34696","Dimethyl 2-[(carbamoylamino)methylidene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(((aminocarbonyl)amino)methylene)malonate",NA,"COC(=O)C(=CNC(=O)N)C(=O)OC","PTKRGAVEBHILFL-UHFFFAOYSA-N",353767,NA,"PDBC34696","602879","Present",NA,NA
+"34697","Dimethyl 2-[1-ethyl-6-[(4-methoxyphenyl)imino]-7-oxo-3-thioxo-6,7-dihydro-1H-thieno[2,3-b][1,4]thiazin-2(3H)-ylidene]-1,3-dithiole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethyl 2-[1-ethyl-6-[(4-methoxyphenyl)imino]-7-oxo-3-t...",NA,"CCN1C2=C(SC(=NC3=CC=C(C=C3)OC)C2=O)SC(=S)C1=C4SC(=C(S4)C(=O)OC)C(=O)OC","VJHUAWNMTPQDQZ-UHFFFAOYSA-N",60147504,NA,"PDBC34697","751392","Present",NA,NA
+"34698","Dimethyl 2-[2-(1,3-dithiolan-2-ylidene)-[1,3]dithiolo[4,5-d][1,3]dithiol-5-ylidene]-1,3-dithiole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-(5-(1,3-dithiolan-2-ylidene)[1,3]dithiolo[4,5-d][1,3]dithiol-2-ylidene)-1,3-dithiole-4,5-dicarboxylate",NA,"COC(=O)C1=C(SC(=C2SC3=C(S2)SC(=C4SCCS4)S3)S1)C(=O)OC","JKCNPPXKNHULOP-UHFFFAOYSA-N",394305,NA,"PDBC34698","697672","Present",NA,NA
+"34699","Dimethyl 2-[2-(2-aminophenoxy)-1-chloro-2-thioxoethylidene]-1,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[2-(2-aminophenoxy)-1-chloro-2-thioxoethylide...",NA,"COC(=O)C1=C(SC(=C(C(=S)OC2=CC=CC=C2N)Cl)S1)C(=O)OC","ADHBMSBCRWBHKK-UHFFFAOYSA-N",24203713,NA,"PDBC34699","729191","Present",NA,NA
+"34700","Dimethyl 2-[2-(2-nitrophenyl)acetyl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[2-(2-nitrophenyl)acetyl]propanedioate",NA,"COC(=O)C(C(=O)CC1=CC=CC=C1[N+](=O)[O-])C(=O)OC","UOOMDFRFBRJBEC-UHFFFAOYSA-N",372677,NA,"PDBC34700","648210","Present",NA,NA
+"34701","Dimethyl 2-[2-(benzenesulfonyl)buta-2,3-dienyl]-2-(2-bromoallyl)propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedioic acid, 2-(2-bromo-2-propenyl)-2-[2-(phenylsu...",NA,"COC(=O)C(CC(=C)Br)(CC(=C=C)S(=O)(=O)C1=CC=CC=C1)C(=O)OC","CSMSVCUWBXKHSL-UHFFFAOYSA-N",394473,NA,"PDBC34701","697946","Present",NA,NA
+"34702","Dimethyl 2-[4-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]but-2-ynylidene]-1,3-dithiole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]-2-butyne",NA,"COC(=O)C1=C(SC(=CC#CC=C2SC(=C(S2)C(=O)OC)C(=O)OC)S1)C(=O)OC","AXGZNBYSMRUWAA-UHFFFAOYSA-N",373752,NA,"PDBC34702","650706","Present",NA,NA
+"34703","Dimethyl 2-[[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[(E)-1-(1,3-thiazol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate",NA,"CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=NC=CS1","WTYFQCKQWGBDMD-LZYBPNLTSA-N",5896716,NA,"PDBC34703","645632","Present",NA,NA
+"34704","Dimethyl 2-[[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[(E)-1-(1H-pyrrol-2-yl)ethylideneamino]carbamothioylamino]pentanedioate",NA,"CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=CC=CN1","AOSZQLJTMSPVJX-RQZCQDPDSA-N",135499228,NA,"PDBC34704","645631","Present",NA,NA
+"34705","Dimethyl 2-[[(E)-1-(furan-2-yl)ethylideneamino]carbamothioylamino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[(E)-1-(furan-2-yl)ethylideneamino]carbamothioylamino]pentanedioate",NA,"CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=CC=CO1","DJLZZCYRLNDSGS-CXUHLZMHSA-N",9571688,NA,"PDBC34705","645629","Present",NA,NA
+"34706","Dimethyl 2-[[(E)-1-pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[(E)-1-pyrazin-2-ylethylideneamino]carbamothioylamino]pentanedioate",NA,"CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=NC=CN=C1","NJQBUVLSYIKCIY-GIJQJNRQSA-N",9571684,NA,"PDBC34706","645625","Present",NA,NA
+"34707","Dimethyl 2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[(E)-1-pyridin-2-ylethylideneamino]carbamothioylamino]pentanedioate",NA,"CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=CC=CC=N1","LYXQTZMJTROGIT-VCHYOVAHSA-N",9571681,NA,"PDBC34707","645622","Present",NA,NA
+"34708","Dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[(E)-1-quinoxalin-2-ylethylideneamino]carbamothioylamino]pentanedioate",NA,"CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=NC2=CC=CC=C2N=C1","NYHJGTUKUXZASS-SSDVNMTOSA-N",9571690,NA,"PDBC34708","645633","Present",NA,NA
+"34709","Dimethyl 2-[[(E)-1-thiophen-2-ylethylideneamino]carbamothioylamino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[(E)-1-thiophen-2-ylethylideneamino]carbamothioylamino]pentanedioate",NA,"CC(=NNC(=S)NC(CCC(=O)OC)C(=O)OC)C1=CC=CS1","WWHDSKBBUBZSKB-CXUHLZMHSA-N",9571686,NA,"PDBC34709","645627","Present",NA,NA
+"34710","Dimethyl 2-[[(E)-furan-2-ylmethylideneamino]carbamothioylamino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[(E)-furan-2-ylmethylideneamino]carbamothioylamino]pentanedioate",NA,"COC(=O)CCC(C(=O)OC)NC(=S)NN=CC1=CC=CO1","DIYAVNQOEMXQKA-RIYZIHGNSA-N",9571689,NA,"PDBC34710","645630","Present",NA,NA
+"34711","Dimethyl 2-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[(E)-pyridin-2-ylmethylideneamino]carbamothioylamino]pentanedioate",NA,"COC(=O)CCC(C(=O)OC)NC(=S)NN=CC1=CC=CC=N1","RVCVXSUDGVTZLV-CXUHLZMHSA-N",9571683,NA,"PDBC34711","645624","Present",NA,NA
+"34712","Dimethyl 2-[[(E)-thiophen-2-ylmethylideneamino]carbamothioylamino]pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[(E)-thiophen-2-ylmethylideneamino]carbamothioylamino]pentanedioate",NA,"COC(=O)CCC(C(=O)OC)NC(=S)NN=CC1=CC=CS1","JLANBHZGUSADRO-RIYZIHGNSA-N",9571687,NA,"PDBC34712","645628","Present",NA,NA
+"34713","Dimethyl 2-[[3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]phenyl]methylene]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-[[3,4,5-trimethoxy-2-[6-(2-methyl-1,3-oxathiolan-2-yl)-1,3-benzodioxol-5-yl]phenyl]methylidene]propanedioate",NA,"CC1(OCCS1)C2=CC3=C(C=C2C4=C(C(=C(C=C4C=C(C(=O)OC)C(=O)OC)OC)OC)OC)OCO3","IEWNSBIWRVXBKO-UHFFFAOYSA-N",372674,NA,"PDBC34713","648207","Present",NA,NA
+"34714","Dimethyl 2-amino-5-benzoyl-4,6-pyrimidinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-amino-5-benzoyl-4,6-pyrimidinedicarboxylate",NA,"COC(=O)C1=C(C(=NC(=N1)N)C(=O)OC)C(=O)C2=CC=CC=C2","IDDFEEIHRLDXKA-UHFFFAOYSA-N",340505,NA,"PDBC34714","371133","Present",NA,NA
+"34715","Dimethyl 2-benzhydryl-5-chloro-1-phenyl-1H-pyrrole-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-benzhydryl-5-chloro-1-phenyl-1H-pyrrole-3,4-dicarboxylate",NA,"COC(=O)C1=C(N(C(=C1C(=O)OC)Cl)C2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4","OQNCVIDWLIYWGA-UHFFFAOYSA-N",378698,NA,"PDBC34715","661750","Present",NA,NA
+"34716","Dimethyl 2-benzyl-2-hydroperoxy-5-oxo-furan-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-benzyl-2-hydroperoxy-5-oxo-furan-3,4-dicarboxylate",NA,"COC(=O)C1=C(C(OC1=O)(CC2=CC=CC=C2)OO)C(=O)OC","AXULXPISEVVHIP-UHFFFAOYSA-N",391993,NA,"PDBC34716","691782","Present",NA,NA
+"34717","Dimethyl 2-cyano-5-(3-thienyl)-1H-pyrrole-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-cyano-5-thiophen-3-yl-1H-pyrrole-3,4-dicarboxylate",NA,"COC(=O)C1=C(NC(=C1C(=O)OC)C2=CSC=C2)C#N","DDYKQIJXUMZZBT-UHFFFAOYSA-N",388560,NA,"PDBC34717","683563","Present",NA,NA
+"34718","Dimethyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3,4-dicarboxylate",NA,"COC(=O)C1=C(C(OC1=O)(C2=CC=CC=C2)OO)C(=O)OC","BQAOTJGYUSQOPU-UHFFFAOYSA-N",391992,NA,"PDBC34718","691781","Present",NA,NA
+"34719","Dimethyl 2-methoxy-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz[a]anthracene-6,6-dicarboxylic acid, 5,6,7,12- tetra...",NA,"COC1=CC2=C(CC(C3=C2C(=O)C4=CC=CC=C4C3=O)(C(=O)OC)C(=O)OC)C=C1","TUQXULFWBAPRNE-UHFFFAOYSA-N",386499,NA,"PDBC34719","678869","Present",NA,NA
+"34720","Dimethyl 2-methyl-5-(2-pyridyl)-5H-oxazole-4,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-methyl-5-(2-pyridyl)-5H-oxazole-4,4-dicarboxylate",NA,"CC1=NC(C(O1)C2=CC=CC=N2)(C(=O)OC)C(=O)OC","DARPEOJHBGJNMS-UHFFFAOYSA-N",395880,NA,"PDBC34720","700975","Present",NA,NA
+"34721","Dimethyl 2-methyl-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-methyl-7,12-dioxo-7,12-dihydrobenzo[a]anthracene-6,6(5H)-dicarboxylate",NA,"CC1=CC2=C(CC(C3=C2C(=O)C4=CC=CC=C4C3=O)(C(=O)OC)C(=O)OC)C=C1","HTFWVGJGXBDMIG-UHFFFAOYSA-N",386498,NA,"PDBC34721","678868","Present",NA,NA
+"34722","Dimethyl 2-methylsulfanyl-6-[(3,4,5-triacetoxytetrahydropyran-2-yl)amino]pyridine-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-methylsulfanyl-6-[(3,4,5-triacetoxytetrahydropyran-2-yl)amino]pyridine-3,4-dicarboxylate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=NC(=C(C(=C2)C(=O)OC)C(=O)OC)SC","LFDCNQOCCUHHLV-UHFFFAOYSA-N",393149,NA,"PDBC34722","694561","Present",NA,NA
+"34723","Dimethyl 2-oxo-3-(2-oxo-2-(3-(trifluoromethyl)anilino)ethyl)succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-oxo-3-(2-oxo-2-(3-(trifluoromethyl)anilino)ethyl)succinate",NA,"COC(=O)C(CC(=O)NC1=CC=CC(=C1)C(F)(F)F)C(=O)C(=O)OC","LNVMKHISVRWPDN-UHFFFAOYSA-N",366765,NA,"PDBC34723","635538","Present",NA,NA
+"34724","Dimethyl 2-oxo-3-(2-oxo-2-(4-toluidino)ethyl)succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-oxo-3-(2-oxo-2-(4-toluidino)ethyl)succinate",NA,"CC1=CC=C(C=C1)NC(=O)CC(C(=O)C(=O)OC)C(=O)OC","CSUTXOGXZHIYAN-UHFFFAOYSA-N",366311,NA,"PDBC34724","634661","Present",NA,NA
+"34725","Dimethyl 2-oxo-3-(oxo(2,4,5-trichloroanilino)acetyl)succinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-oxo-3-(oxo(2,4,5-trichloroanilino)acetyl)succinate",NA,"COC(=O)C(C(=O)C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl)C(=O)C(=O)OC","IJXQZKAYUMPPCR-UHFFFAOYSA-N",369796,NA,"PDBC34725","641989","Present",NA,NA
+"34726","Dimethyl 2-oxoglutarate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethyl 2-oxoglutarate",NA,"COC(=O)CCC(=O)C(=O)OC","TXIXSLPEABAEHP-UHFFFAOYSA-N",25775,NA,"PDBC34726","783840","Present",NA,NA
+"34727","Dimethyl 2-oxohexahydrocyclopropa[cd]pentalene-2a,4b-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-oxohexahydrocyclopropa[cd]pentalene-2a,4b-dicarboxylate",NA,"COC(=O)C12C3CCC1C2(C(=O)C3)C(=O)OC","GEVGDEQNKZETAZ-UHFFFAOYSA-N",390955,NA,"PDBC34727","689208","Present",NA,NA
+"34728","Dimethyl 2-{1-chloro-2-[(2-hydroxyphenyl)amino]-2-thioxoethylidene}-1,3-dithiole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-{1-chloro-2-[(2-hydroxyphenyl)amino]-2-thioxo...",NA,"COC(=O)C1=C(SC(=C(C(=S)NC2=CC=CC=C2O)Cl)S1)C(=O)OC","VRYGXZUVQGDWAL-UHFFFAOYSA-N",16766542,NA,"PDBC34728","729189","Present",NA,NA
+"34729","Dimethyl 2-{2-[(2-aminophenyl)thio]-1-chloro-2-thioxoethylidene}-1,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2-{2-[(2-aminophenyl)thio]-1-chloro-2-thioxoeth...",NA,"COC(=O)C1=C(SC(=C(C(=S)SC2=CC=CC=C2N)Cl)S1)C(=O)OC","KFXUBNKSUGHRQA-UHFFFAOYSA-N",24203712,NA,"PDBC34729","729190","Present",NA,NA
+"34730","Dimethyl 2a-(acetyloxy)-2a,10b-dihydrocyclobuta[l]phenanthrene-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2a-(acetyloxy)-2a,10b-dihydrocyclobuta[l]phenanthrene-1,2-dicarboxylate",NA,"CC(=O)OC12C(C3=CC=CC=C3C4=CC=CC=C41)C(=C2C(=O)OC)C(=O)OC","BIMCFBABWXWLHN-UHFFFAOYSA-N",372337,NA,"PDBC34730","647395","Present",NA,NA
+"34731","Dimethyl 2a-methoxy-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2a-methoxy-1,2,2a,10b-tetrahydrocyclobuta[l]phenanthrene-1,2-dicarboxylate",NA,"COC(=O)C1C2C3=CC=CC=C3C4=CC=CC=C4C2(C1C(=O)OC)OC","ZDVHMVKSKBNABO-UHFFFAOYSA-N",372341,NA,"PDBC34731","647399","Present",NA,NA
+"34732","Dimethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate",NA,"COC(=O)C1=CSC2=C(C13SC=C(S3)C(=O)OC)SSC2=O","DFVGJIKOCFXRMT-UHFFFAOYSA-N",399526,NA,"PDBC34732","710390","Present",NA,NA
+"34733","Dimethyl 3'-phenyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3'-phenyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,6'-dicarboxylate",NA,"COC(=O)C1=CSC2=C(C13SC=C(S3)C(=O)OC)SSC2=NC4=CC=CC=C4","NLZMBMAUCGMDRW-UHFFFAOYSA-N",403967,NA,"PDBC34733","719738","Present",NA,NA
+"34734","Dimethyl 3,4,5,6-tetrakis(2-trimethylsilylethynyl)benzene-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3,4,5,6-tetrakis(2-trimethylsilylethynyl)benzene-1,2-dicarboxylate",NA,"COC(=O)C1=C(C(=C(C(=C1C(=O)OC)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C)C#C[Si](C)(C)C","GISYLYRNDZTZBO-UHFFFAOYSA-N",393458,NA,"PDBC34734","695366","Present",NA,NA
+"34735","Dimethyl 3,4,5,6-tetramethyl-12-oxo-11-oxa-12lambda4-thiatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-9,10-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3,4,5,6-tetramethyl-12-oxo-11-oxa-12lambda4-thiatetracyclo[6.2.1.13,6.02,7]dodeca-4,9-diene-9,10-dicarboxylate",NA,"CC1=C(C2(C3C(C1(S2=O)C)C4C(=C(C3O4)C(=O)OC)C(=O)OC)C)C","GDDJJQVNSNXFHN-UHFFFAOYSA-N",394217,NA,"PDBC34735","697504","Present",NA,NA
+"34736","Dimethyl 3,4-dichlorotricyclo[4.2.2.0~2,5~]deca-3,7,9-triene-7,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3,4-dichlorotricyclo[4.2.2.0~2,5~]deca-3,7,9-triene-7,8-dicarboxylate",NA,"COC(=O)C1=C(C2C=CC1C3C2C(=C3Cl)Cl)C(=O)OC","NBFRZMUPVAPSFP-UHFFFAOYSA-N",361799,NA,"PDBC34736","625119","Present",NA,NA
+"34737","Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate",NA,"COC(=O)N1C(=O)N(C(=O)N1C(=O)OC)C2=CC=CC=C2","CYKNMYXRNSGXHN-UHFFFAOYSA-N",392335,NA,"PDBC34737","692611","Present",NA,NA
+"34738","Dimethyl 3,8-bis(4-chlorophenyl)-1,10-dioxo-4,7-dioxadispiro[4.0.4^{6}.2^{5}]dodeca-2,8-diene-11,12-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3,8-bis(4-chlorophenyl)-1,10-dioxo-4,7-dioxadispiro[4.0.46.25]dodeca-2,8-diene-11,12-dicarboxylate",NA,"COC(=O)C1C(C2(C13C(=O)C=C(O3)C4=CC=C(C=C4)Cl)C(=O)C=C(O2)C5=CC=C(C=C5)Cl)C(=O)OC","FHEXWFBUXUHTOJ-UHFFFAOYSA-N",391126,NA,"PDBC34738","689823","Present",NA,NA
+"34739","Dimethyl 3-(2,4,6-trimethoxyphenyl)isoxazole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AP-006/40679673",NA,"COC1=CC(=C(C(=C1)OC)C2=NOC(=C2C(=O)OC)C(=O)OC)OC","PNRVNTPAQMAFEY-UHFFFAOYSA-N",374543,NA,"PDBC34739","652293","Present",NA,NA
+"34740","Dimethyl 3-(3-bromo-4-methoxy-2-oxo-2H-pyran-6-yl)-1,2-indolizinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3-(3-bromo-4-methoxy-2-oxo-2H-pyran-6-yl)-1,2-indolizinedicarboxylate",NA,"COC1=C(C(=O)OC(=C1)C2=C(C(=C3N2C=CC=C3)C(=O)OC)C(=O)OC)Br","IKSGZDAENJMMAU-UHFFFAOYSA-N",379735,NA,"PDBC34740","664709","Present",NA,NA
+"34741","Dimethyl 3-(3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-1,2-indolizinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3-(3-methyl-5,8-dioxo-5,8-dihydro-1-naphthalenyl)-1,2-indolizinedicarboxylate",NA,"CC1=CC(=C2C(=O)C=CC(=O)C2=C1)C3=C(C(=C4N3C=CC=C4)C(=O)OC)C(=O)OC","WKBNZQQBIIYDKB-UHFFFAOYSA-N",379736,NA,"PDBC34741","664710","Present",NA,NA
+"34742","Dimethyl 3-(4-chlorophenyl)-9-methylcarbazole-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3-(4-chlorophenyl)-9-methyl-carbazole-1,2-dicarboxylate",NA,"CN1C2=CC=CC=C2C3=CC(=C(C(=C31)C(=O)OC)C(=O)OC)C4=CC=C(C=C4)Cl","BQQQHOORWHHFIG-UHFFFAOYSA-N",399394,NA,"PDBC34742","710113","Present",NA,NA
+"34743","Dimethyl 3-(5-(1-hydroxy-2-(trityloxy)ethyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-4,5-isoxazoledicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3-[5-(1-hydroxy-2-trityloxyethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazole-4,5-dicarboxylate",NA,"CC1(OC(C(O1)C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)C5=NOC(=C5C(=O)OC)C(=O)OC)C","XMEFPKUDEBVNQA-UHFFFAOYSA-N",376102,NA,"PDBC34743","656587","Present",NA,NA
+"34744","Dimethyl 3-bromo-3-(bromomethyl)cyclopropane-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3-bromo-3-(bromomethyl)cyclopropane-1,2-dicarboxylate",NA,"COC(=O)C1C(C1(CBr)Br)C(=O)OC","DOUBHCUUZBHXSK-UHFFFAOYSA-N",395481,NA,"PDBC34744","700122","Present",NA,NA
+"34745","Dimethyl 3-butyl-8,9-dimethyl-3,3a-dihydroimidazo[1',2':3,4]pyrimido[1,2-a]benzimidazole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-butyl-12,13-dimethyl-2,5,9,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(16),3,7,10(15),11,13-hexaene-7,8-dicarboxylate",NA,"CCCCN1C=CN2C1C(=C(N3C2=NC4=C3C=C(C(=C4)C)C)C(=O)OC)C(=O)OC","IIIJHNJPKYLORH-UHFFFAOYSA-N",362809,NA,"PDBC34745","627123","Present",NA,NA
+"34746","Dimethyl 3-hydroxy-9,9-dimethyl-7-oxo-bicyclo[3.3.1]non-3-ene-2,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Dicarbomethoxy-9,9-dimethylbicyclo[3.3.3]nonane-3,7-...",NA,"CC1(C2CC(=O)CC1C(=C(C2C(=O)OC)O)C(=O)OC)C","XEJQTYPNCMSCGP-UHFFFAOYSA-N",54686209,NA,"PDBC34746","658463","Present",NA,NA
+"34747","Dimethyl 3-methyl-4-oxospiro[4.6]undec-2-ene-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 3-methyl-4-oxospiro[4.6]undec-2-ene-2,6-dicarboxylate",NA,"CC1=C(CC2(C1=O)CCCCCC2C(=O)OC)C(=O)OC","GDMKNDQVYCCMEC-UHFFFAOYSA-N",376189,NA,"PDBC34747","656724","Present",NA,NA
+"34748","Dimethyl 4'-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]spiro[4,5,6,7-tetrahydro-1,3-benzodithiole-2,8'-thiopyrano[3,2-d][1,3]dithiine]-6',7'-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4'-[4,5-bis(methoxycarbonyl)-1,3-dithiol-2-ylidene]spiro[4,5,6,7-tetrahydro-1,3-benzodithiole-2,8'-thiopyrano[3,2-d][1,3]dithiine]-6',7'-dicarboxylate",NA,"COC(=O)C1=C(SC2=C(C13SC4=C(S3)CCCC4)SCSC2=C5SC(=C(S5)C(=O)OC)C(=O)OC)C(=O)OC","XJCLWCAVKITTNL-UHFFFAOYSA-N",402819,NA,"PDBC34748","717070","Present",NA,NA
+"34749","Dimethyl 4,5-dihydro-1H-pyrazole-4,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4,5-dihydro-1H-pyrazole-4,5-dicarboxylate",NA,"COC(=O)C1C=NNC1C(=O)OC","NTPCABROFYITJE-UHFFFAOYSA-N",361727,NA,"PDBC34749","624969","Present",NA,NA
+"34750","Dimethyl 4,6-bis(tert-butylimino)thieno[2,3-c]thiophene-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4,6-bis(tert-butylimino)thieno[2,3-c]thiophene-2,3-dicarboxylate",NA,"CC(C)(C)N=C1C2=C(C(=NC(C)(C)C)S1)SC(=C2C(=O)OC)C(=O)OC","DTDBLPNPRSPFBC-UHFFFAOYSA-N",402821,NA,"PDBC34750","717072","Present",NA,NA
+"34751","Dimethyl 4,6-bis[(4-methoxyphenyl)imino]thieno[2,3-c]thiophene-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl(4z,6z)-4,6-bis[(4-methoxyphenyl)imino]thieno[4,5-c]thiophene-2,3-dicarboxylate",NA,"COC1=CC=C(C=C1)N=C2C3=C(C(=NC4=CC=C(C=C4)OC)S2)SC(=C3C(=O)OC)C(=O)OC","JCKAORPAQRCQAA-UHFFFAOYSA-N",399529,NA,"PDBC34751","710393","Present",NA,NA
+"34752","Dimethyl 4,6-indanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4,6-indanedicarboxylate",NA,"COC(=O)C1=CC2=C(CCC2)C(=C1)C(=O)OC","CPAXYJIOFMNLBW-UHFFFAOYSA-N",382786,NA,"PDBC34752","670464","Present",NA,NA
+"34753","Dimethyl 4-(2,3-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-(2,3-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate",NA,"CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=C(C(=CC=C3)OC)OC)C(=O)OC","HKUFJXIUHJRNQQ-UHFFFAOYSA-N",24203417,NA,"PDBC34753","727929","Present",NA,NA
+"34754","Dimethyl 4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitro-phenyl)-6-(p-tolyl)-4h-pyridine-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitrophenyl)-6-(4-methylphenyl)-4H-pyridine-2,3-dicarboxylate",NA,"CC1=CC=C(C=C1)C2=CC(C(=C(N2C3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)OC)C(=O)OC)C4=C(C=C(C=C4)OC)OC","PRRIZHZWKVBNTL-UHFFFAOYSA-N",392298,NA,"PDBC34754","692574","Present",NA,NA
+"34755","Dimethyl 4-(2,5-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-(2,5-dimethoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate",NA,"CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=C(C=CC(=C3)OC)OC)C(=O)OC","VGZOPBBAWKLNJT-UHFFFAOYSA-N",24203414,NA,"PDBC34755","727926","Present",NA,NA
+"34756","Dimethyl 4-(2-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-(2-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate",NA,"CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=CC=CC=C3OC)C(=O)OC","ZOLCFPNFBVTSOQ-UHFFFAOYSA-N",24203416,NA,"PDBC34756","727928","Present",NA,NA
+"34757","Dimethyl 4-(3-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-(3-methoxyphenyl)-1-[(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-4H-pyridine-3,5-dicarboxylate",NA,"CC1=CC(=O)C(=CC1=O)CN2C=C(C(C(=C2)C(=O)OC)C3=CC(=CC=C3)OC)C(=O)OC","YIHMCFFDVLOLDW-UHFFFAOYSA-N",24203415,NA,"PDBC34757","727927","Present",NA,NA
+"34758","Dimethyl 4-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-(4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=CC(=O)C(=CC1=O)C2C(=CNC=C2C(=O)OC)C(=O)OC","UJIJDIOONPWVDL-UHFFFAOYSA-N",24203418,NA,"PDBC34758","727930","Present",NA,NA
+"34759","Dimethyl 4-(9-ethyl-9H-carbazol-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-(9-ethyl-9H-carbazol-2-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate",NA,"CCN1C2=CC=CC=C2C3=C1C=C(C=C3)C4C(=C(NC(=C4C(=O)OC)C)C)C(=O)OC","ZXZAPORIQZKHCR-UHFFFAOYSA-N",376964,NA,"PDBC34759","658164","Present",NA,NA
+"34760","Dimethyl 4-[4-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-[4-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)NO)C(=O)OC","BUYFDAIASOOGAZ-UHFFFAOYSA-N",382110,NA,"PDBC34760","669503","Present",NA,NA
+"34761","Dimethyl 4-hydroxy-1,2,6-trimethyl-3,5-piperidinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-hydroxy-1,2,6-trimethyl-3,5-piperidinedicarboxylate",NA,"CC1C(C(C(C(N1C)C)C(=O)OC)O)C(=O)OC","BMQASILGIDNWMH-UHFFFAOYSA-N",279658,NA,"PDBC34761","130891","Present",NA,NA
+"34762","Dimethyl 4-methyl-6-(4-morpholinyl)-2-phenyl-3,5-cyclohexadiene-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-methyl-6-(4-morpholinyl)-2-phenyl-3,5-cyclohexadiene-1,3-dicarboxylate",NA,"CC1=C(C(C(C(=C1)N2CCOCC2)C(=O)OC)C3=CC=CC=C3)C(=O)OC","LXBWUMGVJIPBIQ-UHFFFAOYSA-N",378888,NA,"PDBC34762","662297","Present",NA,NA
+"34763","Dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-methyl-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate",NA,"CC12C=CC(O1)C(=C2C(=O)OC)C(=O)OC","YMLYGZRGLAHWMQ-UHFFFAOYSA-N",304499,NA,"PDBC34763","196593","Present",NA,NA
+"34764","Dimethyl 4-oxo-3-[4-oxo-4-(phenethylamino)butanoyl]heptanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-oxo-3-[4-oxo-4-(phenethylamino)butanoyl]heptanedioate",NA,"COC(=O)CCC(=O)C(CC(=O)OC)C(=O)CCC(=O)NCCC1=CC=CC=C1","ASOUBXJRQDCHHM-UHFFFAOYSA-N",364346,NA,"PDBC34764","630358","Present",NA,NA
+"34765","Dimethyl 5,6lambda4,7-trithiatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3-triene-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5,6lambda4,7-trithiatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3-triene-3,4-dicarboxylate",NA,"COC(=O)C1=C(SS2=C1C3=C(S2)CCCC3)C(=O)OC","NPBAUDWWHFWMNR-UHFFFAOYSA-N",363025,NA,"PDBC34765","627569","Present",NA,NA
+"34766","Dimethyl 5,8-bis((2-cyano-3-methoxybenzoyl)oxy)-4-oxo-3,4-dihydro-2,2(1H)-naphthalenedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5,8-bis((2-cyano-3-methoxybenzoyl)oxy)-4-oxo-3,4-dihydro-2,2(1H)-naphthalenedicarboxylate",NA,"COC1=CC=CC(=C1C#N)C(=O)OC2=C3CC(CC(=O)C3=C(C=C2)OC(=O)C4=C(C(=CC=C4)OC)C#N)(C(=O)OC)C(=O)OC","XJULLGFKZWUFMA-UHFFFAOYSA-N",383759,NA,"PDBC34766","672201","Present",NA,NA
+"34767","Dimethyl 5,8a-dimethyl-7-(1H-pyrrol-2-yl)-2,3,8,8a-tetrahydro-7H-[1,3]oxazolo[3,2-a]pyridine-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5,8a-dimethyl-7-(1H-pyrrol-2-yl)-2,3,7,8-tetrahydrooxazolo[3,2-a]pyridine-6,8-dicarboxylate",NA,"CC1=C(C(C(C2(N1CCO2)C)C(=O)OC)C3=CC=CN3)C(=O)OC","WJVLFMVJYIMZOE-UHFFFAOYSA-N",375829,NA,"PDBC34767","656077","Present",NA,NA
+"34768","Dimethyl 5-(2-hydroxyphenyl)-2-methyl-1,3-oxazole-4,4(5H)-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-(2-hydroxyphenyl)-2-methyl-1,3-oxazole-4,4(5H)-dicarboxylate",NA,"CC1=NC(C(O1)C2=CC=CC=C2O)(C(=O)OC)C(=O)OC","QLFRETBFEMZBEG-UHFFFAOYSA-N",395881,NA,"PDBC34768","700976","Present",NA,NA
+"34769","Dimethyl 5-(3-furyl)-2-methyl-5H-oxazole-4,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-(3-furyl)-2-methyl-5H-oxazole-4,4-dicarboxylate",NA,"CC1=NC(C(O1)C2=COC=C2)(C(=O)OC)C(=O)OC","GAVZXSNXGWKFHP-UHFFFAOYSA-N",395877,NA,"PDBC34769","700972","Present",NA,NA
+"34770","Dimethyl 5-[(4,5-dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]benzene-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-[(4,5-dihydroxy-8-nitro-9,10-dioxoanthracen-1-yl)amino]benzene-1,3-dicarboxylate",NA,"COC(=O)C1=CC(=CC(=C1)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O)C(=O)OC","DBBVPCPJQANEDU-UHFFFAOYSA-N",3438641,NA,"PDBC34770","127622","Present",NA,NA
+"34771","Dimethyl 5-[20-[3,5-bis(methoxycarbonyl)phenyl]-13-(4-methoxyphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-6-yl]benzene-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-[20-[3,5-bis(methoxycarbonyl)phenyl]-13-(4-methoxyphenyl)-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,7,13,17(22),18,20-nonaen-6-yl]benzene-1,3-dicarboxylate",NA,"COC1=CC=C(C=C1)C2=C3CCC4=C(C3=NC5=C2CCC6=C5C=C(C=C6)C7=CC(=CC(=C7)C(=O)OC)C(=O)OC)C=C(C=C4)C8=CC(=CC(=C8)C(=O)OC)C(=O)OC","IOHYHBPVNFRPLG-UHFFFAOYSA-N",395735,NA,"PDBC34771","700535","Present",NA,NA
+"34772","Dimethyl 5-cyano-8,10-dimethyl-4-(methylthio)-10aH-pyrido[1,2-d][1,4]thiazepine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-cyano-8,10-dimethyl-4-(methylthio)-10aH-pyrido[1,2-d][1,4]thiazepine-1,2-dicarboxylate",NA,"CC1=CC(=CN2C1C(=C(SC(=C2C#N)SC)C(=O)OC)C(=O)OC)C","DVWDYKVYNANMIK-UHFFFAOYSA-N",375061,NA,"PDBC34772","653944","Present",NA,NA
+"34773","Dimethyl 5-hydroxy-4,4,6,6-tetramethylhexahydroimidazo[1,5-b]isoxazole-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-hydroxy-4,4,6,6-tetramethylhexahydroimidazo[1,5-b]isoxazole-2,3-dicarboxylate",NA,"CC1(C2C(C(ON2C(N1O)(C)C)C(=O)OC)C(=O)OC)C","BYNJICXHRDPBEI-UHFFFAOYSA-N",379392,NA,"PDBC34773","663934","Present",NA,NA
+"34774","Dimethyl 5-hydroxybenzo[c][2,7]naphthyridine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-hydroxybenzo[c][2,7]naphthyridine-1,2-dicarboxylate",NA,"COC(=O)C1=C2C3=CC=CC=C3NC(=O)C2=CN=C1C(=O)OC","GKTOKONRTOOZNN-UHFFFAOYSA-N",368567,NA,"PDBC34774","639660","Present",NA,NA
+"34775","Dimethyl 5-isopropyl-2-methyl-5H-oxazole-4,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-isopropyl-2-methyl-5H-oxazole-4,4-dicarboxylate",NA,"CC1=NC(C(O1)C(C)C)(C(=O)OC)C(=O)OC","BOWIMTYRPJKKAQ-UHFFFAOYSA-N",395878,NA,"PDBC34775","700973","Present",NA,NA
+"34776","Dimethyl 5-methoxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-methoxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6,7-dicarboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(=C(C3=CC4=C(C=C23)OCO4)OC)C(=O)OC)C(=O)OC","YCRWNWSWFXIUND-UHFFFAOYSA-N",360111,NA,"PDBC34776","621965","Present",NA,NA
+"34777","Dimethyl 5-methyl-4-oxo-4,5-dihydropyrrolo[1,2-a]quinoxaline-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-methyl-4-oxo-4,5-dihydropyrrolo[1,2-a]quinoxaline-1,2-dicarboxylate",NA,"CN1C2=CC=CC=C2N3C(=CC(=C3C(=O)OC)C(=O)OC)C1=O","HZNGLXNQDYTUPD-UHFFFAOYSA-N",370371,NA,"PDBC34777","643436","Present",NA,NA
+"34778","Dimethyl 5-oxobicyclo[2.2.2]oct-2-ene-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 5-oxobicyclo[2.2.2]oct-2-ene-2,3-dicarboxylate",NA,"COC(=O)C1=C(C2CCC1CC2=O)C(=O)OC","GMFJSXCBEQLDGL-UHFFFAOYSA-N",390953,NA,"PDBC34778","689206","Present",NA,NA
+"34779","Dimethyl 6,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 6,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate",NA,"CC1=CC2=C(C=C1C)N=C3C(CC(C3=N2)C(=O)OC)C(=O)OC","LRZOWGDVCRTBKL-UHFFFAOYSA-N",362270,NA,"PDBC34779","625881","Present",NA,NA
+"34780","Dimethyl 6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 6-(2-furyl)-4-(2-nitrophenyl)-1-(4-pyridyl)-4H-pyridine-2,3-dicarboxylate",NA,"COC(=O)C1=C(N(C(=CC1C2=CC=CC=C2[N+](=O)[O-])C3=CC=CO3)C4=CC=NC=C4)C(=O)OC","OPHUQPBNNIDRHB-UHFFFAOYSA-N",392303,NA,"PDBC34780","692579","Present",NA,NA
+"34781","Dimethyl 6-methyl-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 6-methyl-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate",NA,"CC1=CC2=C(C=C1)N=C3C(CC(C3=N2)C(=O)OC)C(=O)OC","OCLJDSQPMQWWNY-UHFFFAOYSA-N",362268,NA,"PDBC34781","625879","Present",NA,NA
+"34782","Dimethyl 6-nitro-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 6-nitro-2,3-dihydro-1H-cyclopenta[b]quinoxaline-1,3-dicarboxylate",NA,"COC(=O)C1CC(C2=NC3=C(C=CC(=C3)[N+](=O)[O-])N=C12)C(=O)OC","SPUHVDUAILHJNC-UHFFFAOYSA-N",362267,NA,"PDBC34782","625878","Present",NA,NA
+"34783","Dimethyl 6-oxo-1,2,5-triphenyl-1,6-dihydro-3,4-pyridinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 6-oxo-1,2,5-triphenyl-1,6-dihydro-3,4-pyridinedicarboxylate",NA,"COC(=O)C1=C(C(=O)N(C(=C1C(=O)OC)C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","ZGAUAHFFLCGERF-UHFFFAOYSA-N",363097,NA,"PDBC34783","627667","Present",NA,NA
+"34784","Dimethyl 6a-amino-1,6-bis(carbamoylamino)-3a-cyano-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 6a-amino-1,6-bis(carbamoylamino)-3a-cyano-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate",NA,"CC1=C(C2(C(=C(N(C2(N1NC(=O)N)N)NC(=O)N)C)C(=O)OC)C#N)C(=O)OC","UYGNGKWQVGWPGR-UHFFFAOYSA-N",364564,NA,"PDBC34784","630984","Present",NA,NA
+"34785","Dimethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 6a-amino-3a-cyano-1,6-bis(methoxycarbonylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,4-dicarboxylate",NA,"CC1=C(C2(C(=C(N(C2(N1NC(=O)OC)N)NC(=O)OC)C)C(=O)OC)C#N)C(=O)OC","IBLURSXSSOWVCQ-UHFFFAOYSA-N",364565,NA,"PDBC34785","630985","Present",NA,NA
+"34786","Dimethyl 7-(3-chlorophenyl)-5,8a-dimethyl-2,3,8,8a-tetrahydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 7-(3-chlorophenyl)-5,8a-dimethyl-2,3,7,8-tetrahydro-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarboxylate",NA,"CC1=C(C(C(C2(N1CCS2)C)C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)OC","HTOPLRWJQODIPS-UHFFFAOYSA-N",375831,NA,"PDBC34786","656079","Present",NA,NA
+"34787","Dimethyl 7-chloro-1,4-phenazinedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 7-chloro-1,4-phenazinedicarboxylate",NA,"COC(=O)C1=C2C(=C(C=C1)C(=O)OC)N=C3C=C(C=CC3=N2)Cl","ZTUMVGQYJAINRG-UHFFFAOYSA-N",362252,NA,"PDBC34787","625856","Present",NA,NA
+"34788","Dimethyl 7-cyano-2-((diisopropylamino)carbonyl)-1,3-cubanedicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 7-cyano-2-((diisopropylamino)carbonyl)-1,3-cubanedicarboxylate",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1(C5C4(C3C25C(=O)OC)C#N)C(=O)OC","NVBXUBMRPKIUAW-UHFFFAOYSA-N",369208,NA,"PDBC34788","640914","Present",NA,NA
+"34789","Dimethyl 7a-[(Z)-[anilino(phenyl)methylidene]amino]-1-(4-methoxyphenyl)-3-phenyl-2,3-dihydroimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 7a-[(Z)-[anilino(phenyl)methylidene]amino]-1-(4-methoxyphenyl)-3-phenyl-2,3-dihydroimidazo[1,2-b][1,2]oxazole-6,7-dicarboxylate",NA,"COC1=CC=C(C=C1)N2CC(N3C2(C(=C(O3)C(=O)OC)C(=O)OC)N=C(C4=CC=CC=C4)NC5=CC=CC=C5)C6=CC=CC=C6","AKRMDYZEBKADSG-UHFFFAOYSA-N",9572379,NA,"PDBC34789","713790","Present",NA,NA
+"34790","Dimethyl 8,9-dimethyl-3,4-dihydro-2H-1,5-dithionine-6,6(7H)-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 8,9-dimethyl-3,4-dihydro-2H-1,5-dithionine-6,6(7H)-dicarboxylate",NA,"CC1=C(SCCCSC(C1)(C(=O)OC)C(=O)OC)C","VPUNJGUYMDEJTM-KTKRTIGZSA-N",3004985,NA,"PDBC34790","666410","Present",NA,NA
+"34791","Dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,9,9a-tetrahydro-2H,8H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 8-(3-chlorophenyl)-6,9a-dimethyl-3,4,8,9-tetrahydro-2H-pyrido[2,1-b][1,3]oxazine-7,9-dicarboxylate",NA,"CC1=C(C(C(C2(N1CCCO2)C)C(=O)OC)C3=CC(=CC=C3)Cl)C(=O)OC","AEIJDYWCBYHIFL-UHFFFAOYSA-N",375832,NA,"PDBC34791","656080","Present",NA,NA
+"34792","Dimethyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate oxalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate oxalate",NA,"CN1C2CCC1C(C(=O)C2C(=O)OC)C(=O)OC.C(=O)(C(=O)O)O","KAMIALPVWOBCRQ-UHFFFAOYSA-N",5351875,NA,"PDBC34792","72914","Present",NA,NA
+"34793","Dimethyl 9,9-dimethyl-1-oxo-1,2,5,6,7,8-hexahydro-2,4a-epoxy-6,8a-methanonaphthalene-3,4-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 12,12-dimethyl-7-oxo-11-oxatetracyclo[6.2.1.13,6.01,6]dodec-9-ene-9,10-dicarboxylate",NA,"CC1(C2CCC13C(=O)C4C(=C(C3(C2)O4)C(=O)OC)C(=O)OC)C","NEDQAWRPFLOHDN-UHFFFAOYSA-N",373322,NA,"PDBC34793","649466","Present",NA,NA
+"34794","Dimethyl 9a-methyl-4-phenyl-3,9-dihydrocarbazole-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 9a-methyl-4-phenyl-3,9-dihydrocarbazole-1,2-dicarboxylate",NA,"CC12C(=C(CC(=C1C(=O)OC)C(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4N2","PFHWAZNEBHJABB-UHFFFAOYSA-N",367129,NA,"PDBC34794","636516","Present",NA,NA
+"34795","Dimethyl [methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]methyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl [methyl-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]amino]methyl phosphate",NA,"CC(=CCCC(=CCCC(=CCCN(C)COP(=O)(OC)OC)C)C)C","QKSZCWUMZZFAMK-YLYRKCBPSA-N",5470378,NA,"PDBC34795","700515","Present",NA,NA
+"34796","Dimethyl benzene-1,3-dicarboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl benzene-1,3-dicarboxylate;hydrochloride",NA,"COC(=O)C1=CC(=CC=C1)C(=O)OC.Cl","FGXSSLVOLXUMAO-UHFFFAOYSA-N",362266,NA,"PDBC34796","625877","Present",NA,NA
+"34797","Dimethyl bromo(1,2,3-tribromo-3-phenylpropyl)propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl bromo(1,2,3-tribromo-3-phenylpropyl)propanedioate",NA,"COC(=O)C(C(C(C(C1=CC=CC=C1)Br)Br)Br)(C(=O)OC)Br","HYXIJNKPCLPKQG-UHFFFAOYSA-N",278524,NA,"PDBC34797","128206","Present",NA,NA
+"34798","Dimethyl malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C5H8O4",NA,"COC(=O)CC(=O)OC","BEPAFCGSDWSTEL-UHFFFAOYSA-N",7943,NA,"PDBC34798","620046","Present",NA,NA
+"34799","Dimethyl methyl(trimethylsilyl)amidophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-trimethylsilyl-N-methyl-O,O-dimethylphosphorous acid",NA,"CN([Si](C)(C)C)P(=O)(OC)OC","YDSZGRVKQXRGHU-UHFFFAOYSA-N",378144,NA,"PDBC34799","659946","Present",NA,NA
+"34800","Dimethyl pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl pyrazolo[5,1-a]isoquinoline-1,2-dicarboxylate",NA,"COC(=O)C1=C2C3=CC=CC=C3C=CN2N=C1C(=O)OC","NWHYHIXMTLVDAE-UHFFFAOYSA-N",392522,NA,"PDBC34800","693038","Present",NA,NA
+"34801","Dimethyl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl sulfone",NA,"CS(=O)(=O)C","HHVIBTZHLRERCL-UHFFFAOYSA-N",6213,NA,"PDBC34801","63345","Present",NA,NA
+"34802","Dimethyl tricyclo[2.2.1.02,6]heptane-3,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl tricyclo[2.2.1.02,6]heptane-3,5-dicarboxylate",NA,"COC(=O)C1C2CC3C1C3C2C(=O)OC","LZKJOUBNIXSMEH-UHFFFAOYSA-N",380726,NA,"PDBC34802","666433","Present",NA,NA
+"34803","Dimethyl(3,4-dimethylbenzyl)hydrazinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC97881",NA,"CC1=C(C=C(C=C1)C[N+](C)(C)N)C.[Cl-]","BCMYLMCSMHFKBS-UHFFFAOYSA-M",59478,NA,"PDBC34803","97881","Present",NA,NA
+"34804","Dimethyl-(2-oxo-2-phenoxathiin-2-ylethyl)sulfanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691894",NA,"C[S+](C)CC(=O)C1=CC2=C(C=C1)OC3=CC=CC=C3S2.[Cl-]","LXOUFCHEEYBSEC-UHFFFAOYSA-M",392079,NA,"PDBC34804","691894","Present",NA,NA
+"34805","Dimethyl-(5-morpholin-4-yl-1,2,4-dithiazol-3-ylidene)azanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl-(5-morpholin-4-yl-1,2,4-dithiazol-3-ylidene)azanium;bromide",NA,"C[N+](=C1N=C(SS1)N2CCOCC2)C.[Br-]","ZYGNLPKIOWPLIC-UHFFFAOYSA-M",360510,NA,"PDBC34805","622647","Present",NA,NA
+"34806","Dimethyl-[5-(N-(C-methylsulfanyl-N-phenylcarbonimidoyl)anilino)-1,2,4-dithiazol-3-ylidene]azanium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl-[5-(N-(C-methylsulfanyl-N-phenylcarbonimidoyl)anilino)-1,2,4-dithiazol-3-ylidene]azanium;perchlorate",NA,"C[N+](=C1N=C(SS1)N(C2=CC=CC=C2)C(=NC3=CC=CC=C3)SC)C.[O-]Cl(=O)(=O)=O","BWQGMKDQIUSEPL-UHFFFAOYSA-M",24202068,NA,"PDBC34806","622580","Present",NA,NA
+"34807","Dimethyl-[5-(N-methylanilino)-1,2,4-dithiazol-3-ylidene]azanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl-[5-(N-methylanilino)-1,2,4-dithiazol-3-ylidene]azanium;iodide",NA,"CN(C1=CC=CC=C1)C2=NC(=[N+](C)C)SS2.[I-]","AUPRWEGYAINPPS-UHFFFAOYSA-M",360548,NA,"PDBC34807","622681","Present",NA,NA
+"34808","Dimethyl-[5-[methyl(2-pyridin-2-ylethyl)amino]-1,2,4-dithiazol-3-ylidene]azanium;iodide;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl-[5-[methyl(2-pyridin-2-ylethyl)amino]-1,2,4-dithiazol-3-ylidene]azanium;iodide;hydroiodide",NA,"CN(CCC1=CC=CC=N1)C2=NC(=[N+](C)C)SS2.I.[I-]","JVZFRVMHYKALNG-UHFFFAOYSA-M",360536,NA,"PDBC34808","622670","Present",NA,NA
+"34809","Dimethyl-dithiocarbamic acid (1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-ylcarbamoyl)-methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] N,N-dimethylcarbamodithioate",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC(=S)N(C)C","IMKDVRMSGNKZKU-UHFFFAOYSA-N",389293,NA,"PDBC34809","685112","Present",NA,NA
+"34810","Dimethyl-phenyl-(2,2,2-trifluoroethyl)phosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl-phenyl-(2,2,2-trifluoroethyl)phosphanium;bromide",NA,"C[P+](C)(CC(F)(F)F)C1=CC=CC=C1.[Br-]","XXRIYUDOMTVABV-UHFFFAOYSA-M",357554,NA,"PDBC34810","617033","Present",NA,NA
+"34811","Dimethylallyllawsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALLYLLAWSONE,DIMETHYL BIOTRANS. PROD",NA,"C1=CC=C2C(=C1)C(=O)C(C2(C(=O)O)O)(CC=C(Cl)Cl)O","OOVCCRDLVFBHOI-UHFFFAOYSA-N",329285,NA,"PDBC34811","310830","Present",NA,NA
+"34812","Dimethylaminoethanethiol S-sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epitope ID:167836",NA,"CN(C)CCSS(=O)(=O)O","RRJZGRCYRQRMEO-UHFFFAOYSA-N",97248,NA,"PDBC34812","108225","Present",NA,NA
+"34813","Dimethylbis(8-quinolinolato)tin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethylbis(8-quinolinolato)tin",NA,NA,NA,NA,NA,"PDBC34813","162800","Present",NA,NA
+"34814","Dimethylcarbamoyloxymethyl N,N-dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanediyl bis(dimethylcarbamate)",NA,"CN(C)C(=O)OCOC(=O)N(C)C","QERHPSLHPVIYLU-UHFFFAOYSA-N",361531,NA,"PDBC34814","624656","Present",NA,NA
+"34815","Dimethylcurcumin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-bis(3, 4-dimethoxyphenyl)-1, 6-heptadiene-3,5-dione",NA,"COC1=C(C=C(C=C1)C=CC(=CC(=O)C=CC2=CC(=C(C=C2)OC)OC)O)OC","ZMGUKFHHNQMKJI-CIOHCNBKSA-N",6477182,NA,"PDBC34815","734923","Present",NA,NA
+"34816","Dimethylditetradecylammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ditetradecyldimethylammonium chloride",NA,"CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Cl-]","RSHHCURRBLAGFA-UHFFFAOYSA-M",24952,NA,"PDBC34816","61373","Present",NA,NA
+"34817","Dimethyldithiocarbamate sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sddc",NA,"CN(C)C(=S)S.[Na+]","VMSRVIHUFHQIAL-UHFFFAOYSA-N",19877808,NA,"PDBC34817","85566","Present",NA,NA
+"34818","Dimethylputrescine Nitric Oxide Adduct",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethylputrescine Nitric Oxide Adduct",NA,"CNCCCCN(C)[N+](=NO)[O-]","MYODPENWVHJVIH-CSKARUKUSA-N",135510114,NA,"PDBC34818","634219","Present",NA,NA
+"34819","Dimethylstilbestrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658943",NA,"CC(=C(C)C1=CC=C(C=C1)O)C2=CC=C(C=C2)O","XPINIPXARSNZDM-VAWYXSNFSA-N",3004636,NA,"PDBC34819","658943","Present",NA,NA
+"34820","Dimethylthioadenosine, iodide salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethylthioadenosine, iodide salt",NA,"C[S+](C)CC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[I-]","NBGFLVBQXLWHDL-UHFFFAOYSA-M",356731,NA,"PDBC34820","613660","Present",NA,NA
+"34821","Dinaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dinaline",NA,"C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)N","QGMGHALXLXKCBD-UHFFFAOYSA-N",42725,NA,"PDBC34821","328786","Present",NA,NA
+"34822","Dinaphtho[2,1-d:1,2-f][1,3]dithiepine 3,3-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dinaphtho[2,1-d:1,2-f][1,3]dithiepine 3,3-dioxide",NA,"C1SC2=C(C3=CC=CC=C3C=C2)C4=C(S1(=O)=O)C=CC5=CC=CC=C54","ADYOKLQZMXCGOP-UHFFFAOYSA-N",365587,NA,"PDBC34822","633386","Present",NA,NA
+"34823","Dinoprost tromethamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dinoprost Tromethamine",NA,"CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O.C(C(CO)(CO)N)O","IYGXEHDCSOYNKY-RZHHZEQLSA-N",5282415,NA,"PDBC34823","196515","Present",NA,NA
+"34824","Dinoterb",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dinoterb",NA,"CC(C)(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])O","IIPZYDQGBIWLBU-UHFFFAOYSA-N",14994,NA,"PDBC34824","166496","Present",NA,NA
+"34825","Dioctyl-bis(2,4,6-trinitrophenoxy)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioctyl-bis(2,4,6-trinitrophenoxy)stannane",NA,"CCCCCCCC[Sn](CCCCCCCC)(OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","KWPPWINIDAIOQA-UHFFFAOYSA-L",16683225,NA,"PDBC34825","644937","Present",NA,NA
+"34826","Dioctyl-bis(8-quinolyloxy)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioctyl-bis(8-quinolyloxy)stannane",NA,"CCCCCCCC[Sn](CCCCCCCC)(OC1=CC=CC2=C1N=CC=C2)OC3=CC=CC4=C3N=CC=C4","DCMWINCPWQSJRT-UHFFFAOYSA-L",16683212,NA,"PDBC34826","644910","Present",NA,NA
+"34827","Diosquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIOSQUINONE",NA,"CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)C3=C(C4=C(C=C3C)C(=O)C5C(C4=O)O5)O","AVBFKEHAFCGOKT-UHFFFAOYSA-N",122720,NA,"PDBC34827","342731","Present",NA,NA
+"34828","Dioxadet",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dioxadet",NA,"CC1(OCC(CO1)(CO)NC2=NC(=NC(=N2)N3CC3)N4CC4)C","QKBGEGKCGLXDSG-UHFFFAOYSA-N",48858,NA,"PDBC34828","275656","Present",NA,NA
+"34829","Dioxidanium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate;cyclohexane-1,2-diamine;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioxidanium;4-amino-3-[[4-[4-[(1-amino-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonate;cyclohexane-1,2-diamine;platinum(4+)",NA,"C1CCC(C(C1)N)N.C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)C4=CC=C(C=C4)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[OH3+].[OH3+].[Pt+4]","CNBFYEOIEJEWIL-UHFFFAOYSA-N",24201989,NA,"PDBC34829","615589","Present",NA,NA
+"34830","Dioxidanium;azane;cobalt(3+);bromide;nitrite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexammine-di-.mu.-hydroxo-.mu.-nitrito(O,N)-dicobalt(III...",NA,"N.N.N.N.N.N.N(=O)[O-].[OH3+].[OH3+].[Co+3].[Co+3].[Br-]","ACZMOAFPNHBWBZ-UHFFFAOYSA-N",54608630,NA,"PDBC34830","630637","Present",NA,NA
+"34831","Dioxidanium;azane;cobalt(3+);sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramminediaquocobalt(III)-sulfate",NA,"N.N.N.N.[OH3+].[OH3+].[O-]S(=O)(=O)[O-].[Co+3]","WSCWELARSLENSB-UHFFFAOYSA-N",24202179,NA,"PDBC34831","631463","Present",NA,NA
+"34832","Dioxidanium;benzeneseleninate;platinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioxidanium;benzeneseleninate;platinum(2+)",NA,"C1=CC=C(C=C1)[Se](=O)[O-].C1=CC=C(C=C1)[Se](=O)[O-].[OH3+].[OH3+].[Pt+2]","JHSMOPZJQRUIPB-UHFFFAOYSA-N",24202093,NA,"PDBC34832","626669","Present",NA,NA
+"34833","Dioxo(1,3-dionato)uranium(VI)hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioxo(1,3-diphenylpropane-1,3-dionato)uranium(VI)hydrate",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.O=[U+2]=O","PGPALQCXVIMZPN-UHFFFAOYSA-N",365921,NA,"PDBC34833","634045","Present",NA,NA
+"34834","Dioxo(dioxonio)uranium;2-formyl-6-methoxyphenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638274",NA,"COC1=CC=CC(=C1[O-])C=O.[OH2+][U](=O)(=O)[OH2+]","BUYBLGHYIZRZPN-UHFFFAOYSA-M",24202305,NA,"PDBC34834","638274","Present",NA,NA
+"34835","Dioxobis(1-phenylbutane-1,3-dionato)uranium(VI)-hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioxobis(1-phenylbutane-1,3-dionato)uranium(VI)- hydrate",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.O=[U+2]=O","LYQDVBMPYZBBSF-UHFFFAOYSA-N",366868,NA,"PDBC34835","635905","Present",NA,NA
+"34836","Dioxobis[1-(2-hydroxyphenyl-NC-azomethine)benzole-2-olato-(O1,N1)]uranium(VI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioxobis[1-(2-hydroxyphenyl-NC-azomethine)benzole-2-olat...",NA,"C1=CC=C(C(=C1)[C-]=NC2=CC=CC=C2O)[O-].C1=CC=C(C(=C1)[C-]=NC2=CC=CC=C2O)[O-].O=[U]=O","JQPYMGSAJGVKTI-UHFFFAOYSA-L",54687012,NA,"PDBC34836","635904","Present",NA,NA
+"34837","Dioxobis[1-(4-sulfobenzyl-NC-azomethine)benzole-2-olato-(O1,N1)uranium(VI)-trihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioxobis[1-(4-sulfobenzyl-NC-azomethine)benzole-2-olato-...",NA,"C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)[O-])[O-].C1=CC=C(C(=C1)C=NC2=CC=C(C=C2)S(=O)(=O)[O-])[O-].O=[U+2]=O","ACRPIKCWKQHBBW-UHFFFAOYSA-J",24202284,NA,"PDBC34837","635913","Present",NA,NA
+"34838","Dioxobis[1-(8-sulfo-naphthyl-NC-azomethine)benzole-2-olato-(O1,N1)uranium(VI)-dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioxobis[1-(8-sulfo-naphthyl-NC-azomethine)benzole-2-ola...",NA,"C1=CC=C(C(=C1)C=NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-])[O-].C1=CC=C(C(=C1)C=NC2=CC=CC3=C2C(=CC=C3)S(=O)(=O)[O-])[O-].O=[U]=O","FKVXIJNGAGOYHN-UHFFFAOYSA-J",24202283,NA,"PDBC34838","635912","Present",NA,NA
+"34839","Dioxobis[4,4-trifluoro-1-phenylbutane-1,3-dionato)uranium(VI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioxobis[4,4,4-trifluoro-1-phenylbutane-1,3- dionato)ura...",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.O=[U+2]=O","IDSCUABYPAXEND-UHFFFAOYSA-N",366870,NA,"PDBC34839","635908","Present",NA,NA
+"34840","Dioxobis{2-[indanyl(iminomethyl)]phenolato}uranium(VI)-trihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dioxobis{2-[indanyl(iminomethyl)]phenolato}uranium(VI)- ...",NA,"C1CC2=C(C1)C=C(C=C2)N=CC3=CC=CC=C3[O-].C1CC2=C(C1)C=C(C=C2)N=CC3=CC=CC=C3[O-].O=[U+2]=O","ATFDSIILUBYIIE-UHFFFAOYSA-L",368291,NA,"PDBC34840","638836","Present",NA,NA
+"34841","Dipentamethylenethiuram disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dipentamethylenethiuram disulfide",NA,"C1CCN(CC1)C(=S)SSC(=S)N2CCCCC2","KNBRWWCHBRQLNY-UHFFFAOYSA-N",7188,NA,"PDBC34841","527035","Present",NA,NA
+"34842","Diphenhydramine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bena",NA,"CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.Cl","PCHPORCSPXIHLZ-UHFFFAOYSA-N",8980,NA,"PDBC34842","33299","Present",NA,NA
+"34843","Diphenolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dpa (van)",NA,"CC(CCC(=O)O)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O","VKOUCJUTMGHNOR-UHFFFAOYSA-N",67174,NA,"PDBC34843","34824","Present",NA,NA
+"34844","Diphenoxybis(pentane-2,4-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenoxybis(pentane-2,4-dionato)titanium(IV)",NA,"CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.C1=CC=C(C=C1)[O-].C1=CC=C(C=C1)[O-].[Ti+4]","KNRRZMQPADPVPL-UHFFFAOYSA-L",24202323,NA,"PDBC34844","638740","Present",NA,NA
+"34845","Diphenoxyphosphoryl(phenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenoxyphosphoryl-phenyl-methanol",NA,"C1=CC=C(C=C1)C(O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3","LGWPZWRZPMNUGB-UHFFFAOYSA-N",277714,NA,"PDBC34845","126668","Present",NA,NA
+"34846","Diphenyl 1-(((benzyloxy)carbonyl)amino)-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)pentylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl N-[5-(1,3-dioxoisoindolin-2-yl)-1-diphenoxyphosphoryl-pentyl]carbamate",NA,"C1=CC=C(C=C1)COC(=O)NC(CCCCN2C(=O)C3=CC=CC=C3C2=O)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5","CNJOZTYNWQXMFA-UHFFFAOYSA-N",383343,NA,"PDBC34846","671457","Present",NA,NA
+"34847","Diphenyl(1-(phenylthio)butyl)phosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenyl(1-(phenylthio)butyl)phosphine oxide",NA,"CCCC(P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)SC3=CC=CC=C3","GXROZKSSJBDWAY-UHFFFAOYSA-N",361772,NA,"PDBC34847","625038","Present",NA,NA
+"34848","Diphenyl(2-(phenyl(2-(phenylthio)ethyl)phosphino)ethyl)phosphine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((2-(Diphenylphosphino)ethyl)(phenyl)phosphino)ethyl phenyl sulfide",NA,"C1=CC=C(C=C1)P(CCP(C2=CC=CC=C2)C3=CC=CC=C3)CCSC4=CC=CC=C4","LFCOMJNOKDTFKR-UHFFFAOYSA-N",375753,NA,"PDBC34848","655900","Present",NA,NA
+"34849","Diphenyl(4-(phenyl(triphenylphosphoranylidene)methyl)phenyl)phosphine selenide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000413",NA,"C1=CC=C(C=C1)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)P(=[Se])(C6=CC=CC=C6)C7=CC=CC=C7","OGCQVGNXFQKRGU-UHFFFAOYSA-N",385573,NA,"PDBC34849","676864","Present",NA,NA
+"34850","Diphenyl(pyridin-2-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC10796///NSC525213",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=N3)O","IBNTYLTYDKBLRC-UHFFFAOYSA-N",223294,NA,"PDBC34850","10796///525213","Present",NA,NA
+"34851","Diphenyl(pyridin-3-yl)methanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenyl(pyridin-3-yl)methanol;hydrochloride",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CN=CC=C3)O.Cl","GWYDYAZGAGVQCA-UHFFFAOYSA-N",24181700,NA,"PDBC34851","10790","Present",NA,NA
+"34852","Diphenyl-2-pyridylmethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 2-(diphenylmethyl)- (8CI9CI)",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=N3","MMXYNKLYVRNTCK-UHFFFAOYSA-N",77250,NA,"PDBC34852","60653","Present",NA,NA
+"34853","Diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenyl-[2-(2-phenylmethoxypropan-2-yl)phenyl]phosphane",NA,"CC(C)(C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)OCC4=CC=CC=C4","VZZKDGPXFKXDIR-UHFFFAOYSA-N",329532,NA,"PDBC34853","312825","Present",NA,NA
+"34854","Diphenyl-[[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyloxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]phosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenyl-[[5,11,17,23-tetratert-butyl-26,27,28-tris(diphenylphosphanyloxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]phosphane",NA,"CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OP(C4=CC=CC=C4)C5=CC=CC=C5)CC6=CC(=CC(=C6OP(C7=CC=CC=C7)C8=CC=CC=C8)CC9=C(C(=CC(=C9)C(C)(C)C)C2)OP(C1=CC=CC=C1)C1=CC=CC=C1)C(C)(C)C)C(C)(C)C)OP(C1=CC=CC=C1)C1=CC=CC=C1","VGPWSJQMGPTNOC-UHFFFAOYSA-N",16129770,NA,"PDBC34854","641108","Present",NA,NA
+"34855","Diphenyl-bis(8-quinolyloxy)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenyl-bis(8-quinolyloxy)stannane",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(OC3=CC=CC4=C3N=CC=C4)OC5=CC=CC6=C5N=CC=C6","AKJXSKGJAIBMJQ-UHFFFAOYSA-L",16683148,NA,"PDBC34855","628591","Present",NA,NA
+"34856","Diphenyl-bis(8-quinolylsulfanyl)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenyl-bis(8-quinolylsulfanyl)stannane",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(SC3=CC=CC4=C3N=CC=C4)SC5=CC=CC6=C5N=CC=C6","QSTLOYBHYBPUMN-UHFFFAOYSA-L",9569948,NA,"PDBC34856","628592","Present",NA,NA
+"34857","Diphenyl[2-(2-pyridyl)ethoxy]borane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenyl[2-(2-pyridyl)ethoxy]borane",NA,NA,NA,NA,NA,"PDBC34857","667864","Present",NA,NA
+"34858","Diphenylcyclopropenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenylcyclopropenone",NA,NA,"C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3","HCIBTBXNLVOFER-UHFFFAOYSA-N",65057,NA,"PDBC34858",NA,"Absent",NA,NA
+"34859","Diphenyllead diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenyllead diacetate",NA,"CC(=O)O[Pb](C1=CC=CC=C1)(C2=CC=CC=C2)OC(=O)C","SBXMABAVUXVYFZ-UHFFFAOYSA-L",16683784,NA,"PDBC34859","173046","Present",NA,NA
+"34860","Diphenylphosphanide;gold;dinitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenylphosphanide;gold;dinitrate",NA,"C1=CC=C(C=C1)[P-]C2=CC=CC=C2.C1=CC=C(C=C1)[P-]C2=CC=CC=C2.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].[Au].[Au]","SZGGNIDDTOTLRJ-UHFFFAOYSA-N",374625,NA,"PDBC34860","652594","Present",NA,NA
+"34861","Diphenyltin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tin, diphenyl-",NA,"C1=CC=C(C=C1)[Sn]C2=CC=CC=C2","KUCPUSUXIGWHFB-UHFFFAOYSA-N",70535,NA,"PDBC34861","162819","Present",NA,NA
+"34862","Diphenyltin dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: g-sn-gr&r",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl","ISXUHJXWYNONDI-UHFFFAOYSA-L",14342,NA,"PDBC34862","405640","Present",NA,NA
+"34863","Diphtaloylcarbazol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphtaloylcarbazol",NA,"C1=CC=C2C(=C1)C(=O)C3=C4C5=CC=CC=C5NC4=C6C(=C3C2=O)C(=O)C7=CC=CC=C7C6=O","NMBXERAVHQBISR-UHFFFAOYSA-N",362928,NA,"PDBC34863","627404","Present",NA,NA
+"34864","Dipivalic acid 3,3'-dibromo-5,5'-diethynylbiphenyl-2,2'-diyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Bromo-6-[3-bromo-2-(2,2-dimethylpropanoyloxy)-5-ethynylphenyl]-4-ethynylphenyl] 2,2-dimethylpropanoate",NA,"CC(C)(C)C(=O)OC1=C(C=C(C=C1Br)C#C)C2=C(C(=CC(=C2)C#C)Br)OC(=O)C(C)(C)C","DJIMHYNTMZVHPM-UHFFFAOYSA-N",397597,NA,"PDBC34864","705938","Present",NA,NA
+"34865","Dipodazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dipodazine",NA,"C1C(=O)NC(=CC2=CNC3=CC=CC=C32)C(=O)N1","QHMQUIKWOVYDKF-WZUFQYTHSA-N",5471804,NA,"PDBC34865","713792","Present",NA,NA
+"34866","Dipropyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dipropyl 2,2,2-trifluoro-1-(trifluoromethyl)ethyl phosphate",NA,"CCCOP(=O)(OCCC)OC(C(F)(F)F)C(F)(F)F","LQBJYYXUWBKTGA-UHFFFAOYSA-N",383646,NA,"PDBC34866","672064","Present",NA,NA
+"34867","Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dipropyl 2-((4-((3-(2-thienyl)-2-quinoxalinyl)amino)benzoyl)amino)pentanedioate",NA,"CCCOC(=O)CCC(C(=O)OCCC)NC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","VNKIRUGRQZDJIX-UHFFFAOYSA-N",369885,NA,"PDBC34867","642079","Present",NA,NA
+"34868","Dipropyl 3,5-bis(4-methoxyphenyl)-1,1-dioxo-1,4-thiazinane-2,6-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dipropyl 3,5-bis(4-methoxyphenyl)thiomorpholine-2,6-dicarboxylate 1,1-dioxide",NA,"CCCOC(=O)C1C(NC(C(S1(=O)=O)C(=O)OCCC)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC","BAQKNEIUYUJSDG-UHFFFAOYSA-N",368561,NA,"PDBC34868","639637","Present",NA,NA
+"34869","Direct blue 6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzo blue gs",NA,"C1=CC(=CC=C1C2=CC=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O.[Na+]","LDIDZFWGINXVSD-UHFFFAOYSA-N",135436530,NA,"PDBC34869","9614","Present",NA,NA
+"34870","Discorhabdin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorhabdin B",NA,"C1CN=C2C3=C1C=NC3=C(C4=C2C56CC(N4)SC5=CC(=O)C(=C6)Br)O","UKSNLLKPYVGHFN-VOJFVSQTSA-N",135409044,NA,"PDBC34870","656203","Present",NA,NA
+"34871","Discorhabdin C . TFA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorhabdin C . TFA",NA,"C1CN=C2C3=C1C=NC3=C(C4=C2C5(CCN4)C=C(C(=O)C(=C5)Br)Br)O.C(=O)(C(F)(F)F)O","HMHVISPKDSNOSH-UHFFFAOYSA-N",362393,NA,"PDBC34871","626162","Present",NA,NA
+"34872","Discorhabdin C-benzene . TFA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorhabdin C-benzene . TFA",NA,"C1CNC2=C(C3=C1C=C(C=C3Br)Br)C4=NCCC5=C4C(=C2O)N=C5.C(=O)(C(F)(F)F)O","GKUFYLZRMQBETE-UHFFFAOYSA-N",362398,NA,"PDBC34872","626165","Present",NA,NA
+"34873","Discorhabdin C-dienol . TFA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorhabdin C-dienol . TFA",NA,"C1CN=C2C3=C1C=NC3=C(C4=C2C5(CCN4)C=C(C(C(=C5)Br)O)Br)O.C(=O)(C(F)(F)F)O","GPUIQJOWQMWQEH-UHFFFAOYSA-N",362400,NA,"PDBC34873","626166","Present",NA,NA
+"34874","Discorhabdin C-nitrodienone . TFA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorhabdin C-nitrodienone . TFA",NA,"C1CN=C2C3=C1C=NC3=C(C4=C2C5=C(C(=O)C(=CC5(CCN4)[N+](=O)[O-])Br)Br)O.C(=O)(C(F)(F)F)O","YMTLBEAQYDZXHC-UHFFFAOYSA-N",362394,NA,"PDBC34874","626163","Present",NA,NA
+"34875","Discorhabdin C-phenol . TFA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorhabdin C-phenol . TFA",NA,"C1CNC2=C(C3=C(C(=C(C=C31)Br)O)Br)C4=NCCC5=C4C(=C2O)N=C5.C(=O)(C(F)(F)F)O","CUSZNAYEBHLVOJ-UHFFFAOYSA-N",362396,NA,"PDBC34875","626164","Present",NA,NA
+"34876","Discorhabdin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorhabdin D",NA,"C1C[N+]2=C3C4=C1C=NC4=C(C5=C3C67CC2C(=O)C=C6SC(C7)N5)O.[Cl-]","KSVAXROZYWTVFR-ZGQBZTIQSA-N",362389,NA,"PDBC34876","626160","Present",NA,NA
+"34877","Discorhabdin G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorhabdin G",NA,"C1CN=C2C3=C1C=NC3=C(C4=C2C56CC(N4)SC5=CC(=O)C=C6)O","SQLLOKSPNICABN-VOJFVSQTSA-N",135409045,NA,"PDBC34877","656204","Present",NA,NA
+"34878","Discorhabdin H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorhabdin H",NA,"CN1C=NC(=C1CC(C(=O)O)N)SC2=C3C(=O)C=C4C25CC(S4)NC6=C5C7=[N+]3CCC8=C7C(=C6O)N=C8.[Cl-]","PLMFRIQQSMGVDS-ZOSAEHQHSA-N",135499366,NA,"PDBC34878","656205","Present",NA,NA
+"34879","Discorhabdin I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorhabdin I",NA,"CN1C=NC(=C1CC(C(=O)O)N)SC2=CC(=O)C=C3C24CC(S3)NC5=C4C6=NCCC7=C6C(=C5O)N=C7","PMPVVBFINWSXBE-FAXBWADYSA-N",135409047,NA,"PDBC34879","656206","Present",NA,NA
+"34880","Discorine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Discorine",NA,"CC1=CC(=O)OC2(C1)CC3CCC2CN3C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","CBAQZOGSRXLCQY-UHFFFAOYSA-N",374713,NA,"PDBC34880","652899","Present",NA,NA
+"34881","Diselenide, bis(4-methylphenyl)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis-p-tolylediselenide",NA,"CC1=CC=C(C=C1)[Se][Se]C2=CC=C(C=C2)C","KJCNOACMRYZZFR-UHFFFAOYSA-N",365239,NA,"PDBC34881","632604","Present",NA,NA
+"34882","Disodium 2,2'-dithiobis ethane sulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimesna",NA,"C(CS(=O)(=O)O)SSCCS(=O)(=O)O.[Na+]","YHGSLPIENPJALY-UHFFFAOYSA-N",25008190,NA,"PDBC34882","716976","Present",NA,NA
+"34883","Disodium edetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"edta",NA,"C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Na+]","HLWRUJAIJJEZDL-UHFFFAOYSA-N",9839867,NA,"PDBC34883","2760","Present",NA,NA
+"34884","Disodium manganese EDTA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"disodium manganese edta",NA,"C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[Mn+2]","RLNASBHWIXYGAC-UHFFFAOYSA-N",5148022,NA,"PDBC34884","7345","Present",NA,NA
+"34885","Disodium phosphonoacetate monohydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fosfonet sodium",NA,"C(C(=O)O)P(=O)(O)O.[Na+]","KNBQMQYQYHZXSX-UHFFFAOYSA-N",54608707,NA,"PDBC34885","138745","Present",NA,NA
+"34886","Disperse blue 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amacel blue gg",NA,"C1=CC(=C2C(=C1N)C(=O)C3=C(C=CC(=C3C2=O)N)N)N","JSFUMBWFPQSADC-UHFFFAOYSA-N",17190,NA,"PDBC34886","39936","Present",NA,NA
+"34887","Dispiro[cyclohexane-1,6'(5'H)-indolo[3,2-b]carbazole-12'(11'H),1''-cyclohexane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dispiro[cyclohexane-1,6'(5'H)-indolo[3,2-b]carbazole-12'(11'H),1''-cyclohexane]",NA,"C1CCC2(CC1)C3=C(C4(CCCCC4)C5=C2NC6=CC=CC=C65)NC7=CC=CC=C73","BVADGBIJIJAJEO-UHFFFAOYSA-N",373633,NA,"PDBC34887","650353","Present",NA,NA
+"34888","Dispiro[cyclopropane-1,2'(3'H)-naphthalene-3',2''-imidazolidine], 1'',3''-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dispiro[cyclopropane-1,2'(3'H)-naphthalene- 3',2''-imida...",NA,"CN1CCN(C12C=C3C=CC=CC3=CC24CC4)C","GEBLDEVRXJPBQL-UHFFFAOYSA-N",362769,NA,"PDBC34888","627050","Present",NA,NA
+"34889","Distomadine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Distomadine A",NA,"C1=CC2=NC=CC3=C2C(=C1O)C4=C(O3)C(=O)OC4CCN=C(N)N","YTJQNXMCZWEMBC-UHFFFAOYSA-N",10087738,NA,"PDBC34889","721294","Present",NA,NA
+"34890","Disulfide, bis(2-amino-4-sulfamoylphenyl)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: zswor cz dssr bz doszw",NA,"C1=CC(=C(C=C1S(=O)(=O)N)N)SSC2=C(C=C(C=C2)S(=O)(=O)N)N","CVACEDCBGCMVKB-UHFFFAOYSA-N",19790,NA,"PDBC34890","83217","Present",NA,NA
+"34891","Ditercalinium dimethanesulfonate dimethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ditercalinium dimethanesulfonate dimethanesulfonate",NA,"COC1=CC2=C(C=C1)NC3=C2C4=C(C=C3)C=C[N+](=C4)CCN5CCC(CC5)C6CCN(CC6)CC[N+]7=CC8=C(C=CC9=C8C1=C(N9)C=CC(=C1)OC)C=C7.CS(=O)(=O)O.CS(=O)(=O)O","MMJHHMWONHLFTF-UHFFFAOYSA-P",435243,NA,"PDBC34891","366241","Present",NA,NA
+"34892","Ditert-butyl (3E)-3-(2-bromoethylidene)azetidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ditert-butyl (3E)-3-(2-bromoethylidene)azetidine-1,2-dicarboxylate",NA,"CC(C)(C)OC(=O)C1C(=CCBr)CN1C(=O)OC(C)(C)C","JVMSWEZBQYWDKL-JXMROGBWSA-N",5468311,NA,"PDBC34892","668364","Present",NA,NA
+"34893","Ditert-butyl (3E)-3-(2-hydroxyethylidene)azetidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ditert-butyl (3E)-3-(2-hydroxyethylidene)azetidine-1,2-dicarboxylate",NA,"CC(C)(C)OC(=O)C1C(=CCO)CN1C(=O)OC(C)(C)C","XCBHIEPYDJILGQ-JXMROGBWSA-N",5468310,NA,"PDBC34893","668363","Present",NA,NA
+"34894","Ditert-butyl (3E)-3-ethylideneazetidine-1,2-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ditert-butyl (3E)-3-ethylideneazetidine-1,2-dicarboxylate",NA,"CC=C1CN(C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C","NVICUNQITDSULT-CSKARUKUSA-N",5468312,NA,"PDBC34894","668365","Present",NA,NA
+"34895","Ditert-butyl 2-butyl-5-[2-[4-butyl-3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]benzene-1,3-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ditert-butyl 2-butyl-5-[2-[4-butyl-3,5-bis[(2-methylpropan-2-yl)oxycarbonyl]phenyl]ethynyl]benzene-1,3-dicarboxylate",NA,"CCCCC1=C(C=C(C=C1C(=O)OC(C)(C)C)C#CC2=CC(=C(C(=C2)C(=O)OC(C)(C)C)CCCC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C","XRKVAFCYQGSSSB-UHFFFAOYSA-N",395730,NA,"PDBC34895","700529","Present",NA,NA
+"34896","Ditetraazolo[1,5-a:5,1-c]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,5,8,9,10,11-Octazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene",NA,"C1=CC=C2C(=C1)N3C(=NN=N3)C4=NN=NN24","CXZSDEGQLBZWEC-UHFFFAOYSA-N",370487,NA,"PDBC34896","643709","Present",NA,NA
+"34897","Dithiazanine iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dejo",NA,"CCN1C2=CC=CC=C2SC1=CC=CC=CC3=[N+](C4=CC=CC=C4S3)CC.[I-]","MNQDKWZEUULFPX-UHFFFAOYSA-M",5702697,NA,"PDBC34897","221154","Present",NA,NA
+"34898","Dithieno[2,3-b:3,4-d]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dithieno[2,3-b:3,4-d]pyridine",NA,"C1=CSC2=C1C3=CSC=C3C=N2","XHAOANVTULCZQL-UHFFFAOYSA-N",364226,NA,"PDBC34898","630077","Present",NA,NA
+"34899","Dithieno[3,4-b:3,2-d]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dithieno[3,4-b:3,2-d]pyridine",NA,"C1=CSC2=C1C3=CSC=C3N=C2","UQSKSOKRSZRQKL-UHFFFAOYSA-N",364225,NA,"PDBC34899","630076","Present",NA,NA
+"34900","Dithieno[3,4-b:3,4-d]pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dithieno[3,4-b:3,4-d]pyridine",NA,"C1=C2C=NC3=CSC=C3C2=CS1","VNPZQSJXQLQIOC-UHFFFAOYSA-N",364227,NA,"PDBC34900","630078","Present",NA,NA
+"34901","Dithiodiglycolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dithiodiacetic acid",NA,"C(C(=O)O)SSCC(=O)O","DLLMHEDYJQACRM-UHFFFAOYSA-N",68164,NA,"PDBC34901","54088","Present",NA,NA
+"34902","Divaricatic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Divaricatic acid",NA,"CCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCC","FSRDIJIAQPSMMR-UHFFFAOYSA-N",371610,NA,"PDBC34902","646003","Present",NA,NA
+"34903","Divarinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Divarinone",NA,"CC1=CC2(CCC3C(CCC3(C(C)C)O)(C(=O)C1C=C2)C)C","KRLWHAXLRGQYFO-WCDCJWDKSA-N",6712174,NA,"PDBC34903","657939","Present",NA,NA
+"34904","Dmask",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"arnebin",NA,"CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C","BATBOVZTQBLKIL-UHFFFAOYSA-N",32465,NA,"PDBC34904","140377","Present",NA,NA
+"34905","Dmg amino bpu",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DMG AMINO BPU",NA,"CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)CN(C)C)OC3=NC=C(C=N3)Br.Cl","YMWJINDBTOCWHA-UHFFFAOYSA-N",375123,NA,"PDBC34905","654261","Present",NA,NA
+"34906","Dmjpyxzdskfgeh-uhfffaoysa-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(4-methoxyphenyl)-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]...",NA,"COC1=CC=C(C=C1)C2N3CCN=C3NO2","DMJPYXZDSKFGEH-UHFFFAOYSA-N",11790684,NA,"PDBC34906","727196","Present",NA,NA
+"34907","Dodecanoic acid, 4-dodecanamidomethyl-2-methoxyphenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-87642",NA,"CCCCCCCCCCCC(=O)NCC1=CC(=C(C=C1)OC(=O)CCCCCCCCCCC)OC","LXMZJNLZSXKQCB-UHFFFAOYSA-N",379433,NA,"PDBC34907","663979","Present",NA,NA
+"34908","Dodecyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dodecyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate",NA,"CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCCCCCCCC","IOHPFVHDYFNNQB-UHFFFAOYSA-N",370531,NA,"PDBC34908","643758","Present",NA,NA
+"34909","Dodecyl 5-hydroxy-3-methyl-1-phenyl-1H-pyrazole-4-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_007421",NA,"CCCCCCCCCCCCSC(=S)C1=C(NN(C1=O)C2=CC=CC=C2)C","HBISBQINTQUCOO-UHFFFAOYSA-N",369159,NA,"PDBC34909","640748","Present",NA,NA
+"34910","Dodecyl morpholine-4-carboximidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dodecyl morpholine-4-carboximidate",NA,"CCCCCCCCCCCCOC(=N)N1CCOCC1","VLXNAGGKCPWWSK-UHFFFAOYSA-N",239304,NA,"PDBC34910","44230","Present",NA,NA
+"34911","Dodecyl(dimethyl)sulfanium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfonium, dodecyldimethyl- iodide",NA,"CCCCCCCCCCCC[S+](C)C.[I-]","CWMLLWRTIPJOKV-UHFFFAOYSA-M",19021065,NA,"PDBC34911","72055","Present",NA,NA
+"34912","Dodecylamine, hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dodecylamine, N-(3-phenylpropyl)-, hydrobromide",NA,"CCCCCCCCCCCCNCCCC1=CC=CC=C1.Br","PFDMPZYMBAPDNY-UHFFFAOYSA-N",21144924,NA,"PDBC34912","402291","Present",NA,NA
+"34913","Dodecylphospho-L-serine (di-NH4 salt)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dodecylphospho-L-serine (di-NH4 salt)",NA,"CCCCCCCCCCCCOP(=O)(O)OCC(C(=O)O)N.N","PGMCNCHJIAZBHM-UHFFFAOYSA-N",383119,NA,"PDBC34913","671162","Present",NA,NA
+"34914","Dodecylphosphono-L-serine (di-NH4 salt)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dodecylphosphono-L-serine (di-NH4 salt)",NA,"CCCCCCCCCCCCP(=O)(O)OCC(C(=O)O)N.N","FPQBYEJABIPPTR-UHFFFAOYSA-N",383121,NA,"PDBC34914","671163","Present",NA,NA
+"34915","Doi:10.14272/CXIAWCOBGBHOCC-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682805",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-]","CXIAWCOBGBHOCC-UHFFFAOYSA-N",388211,NA,"PDBC34915","682805","Present",NA,NA
+"34916","Dolabella californica, extract OF-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DOLABELLA CALIFORNICA, EXTRACT OF - ACETATE",NA,"CC1CCC=C(CC(C2C(CCC2(C=C1)C)C(C)(C)O)OC(=O)C)C","QPIUBKNTZMBLLI-BVXVVYCSSA-N",5358957,NA,"PDBC34916","292208","Present",NA,NA
+"34917","Dolabellin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dolabellin",NA,"CC(C)C(C1=NC(=CS1)C(=O)OC)OC(=O)C(C)C(CCCC(C)(Cl)Cl)OC(=O)C2=CSC(=N2)C(CO)O","JHKFWJUVTLNOJZ-ZSGPHXLJSA-N",388132,NA,"PDBC34917","682622","Present",NA,NA
+"34918","Dolastatin 11",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"from marine animal dolabella auricularia",NA,"CCC1C(C(=O)OC(C(=O)NCC(=O)N(C(C(=O)NCC(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)C(C(=O)NC(C(=O)N1)C)(C)C)C)CC2=CC=C(C=C2)OC)C)C(C)C)C)CC(C)C)C)C(C)CC)C","XOSLDLHSPLPVME-FKLVWXFWSA-N",354399,NA,"PDBC34918","606195","Present",NA,NA
+"34919","Doronine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Doronine",NA,"CC1CC(C(=O)OC2CCN(CC=C(C2=O)COC(=O)C1(C)OC(=O)C)C)(C(C)Cl)O.C1=CC=CC=C1","VMVVTEMNXFSWTH-PSUINESXSA-N",5478072,NA,"PDBC34919","379671","Present",NA,NA
+"34920","Dorsmanin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dorsmanin A",NA,"CC1(CCC2=C(O1)C=CC(=C2O)C(=O)C=CC3=CC=C(C=C3)O)C","UDSAJERKQRQHJR-WEVVVXLNSA-N",5472480,NA,"PDBC34920","719328","Present",NA,NA
+"34921","Dorsmanin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dorsmanin C",NA,"CC(=CCCC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=C(O3)C4=CC(=C(C=C4)O)O)O)C=CC(O2)(C)C)C)C","HHAZEOQNUWGOLG-RQZCQDPDSA-N",5472481,NA,"PDBC34921","719329","Present",NA,NA
+"34922","Dotmp",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DOTMP",NA,"C1CN(CCN(CCN(CCN1CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O","RCXMQNIDOFXYDO-UHFFFAOYSA-N",124761,NA,"PDBC34922","681106","Present",NA,NA
+"34923","Doxantrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Doxantrazole",NA,"C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C4=NNN=N4","VIDCTSLIEZMQRF-UHFFFAOYSA-N",40119,NA,"PDBC34923","311586","Present",NA,NA
+"34924","Doxoform",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Doxoform",NA,"CC1C2C(CC(O1)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)CO)O)N(CO2)CN7COC8C7CC(OC8C)OC9CC(CC1=C9C(=C2C(=C1O)C(=O)C1=C(C2=O)C(=CC=C1)OC)O)(C(=O)CO)O","ZZUVBKWGQQCRMJ-BCNYZFJLSA-N",24202589,NA,"PDBC34924","699490","Present",NA,NA
+"34925","Doxorubicin-Transferrin conjugate (Dox/TrF=2.5),~ Dox: 2...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Doxorubicin-Transferrin conjugate (Dox/TrF=2.5),~ Dox: 2...",NA,NA,NA,NA,NA,"PDBC34925","722333","Present",NA,NA
+"34926","Doxypyrromycin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aklavin",NA,"CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)OC5CC(C(C(O5)C)O)N(C)C)O.Cl","KTSRCTOUNGGQEI-XBLNTETQSA-N",264889,NA,"PDBC34926","100290","Present",NA,NA
+"34927","Dregeoside AO1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DREGEOSIDE AO1",NA,"CC1C(C(CC(O1)OC2CCC3(C4C(CC=C3C2)C5(CCC(C5(C(C4OC(=O)C)OC(=O)CC(C)C)C)C(=O)C)O)C)OC)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC)O)OC)OC","PXGLRROUIHYIJI-UHFFFAOYSA-N",435773,NA,"PDBC34927","375875","Present",NA,NA
+"34928","Dregeoside AP1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DREGEOSIDE AP1",NA,"CC1C(C(C(C(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7C(CC=C6C5)C8(CCC(C8(C(C7OC(=O)C)OC(=O)CC(C)C)C)C(=O)C)O)C)C)C)C)O)OC)O","DNBGHHQKCVFJFT-UHFFFAOYSA-N",435772,NA,"PDBC34928","375874","Present",NA,NA
+"34929","Drosophilin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"drosopholin b",NA,"CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CO)C","ZRZNJUXESFHSIO-VYTKZBNOSA-N",6711172,NA,"PDBC34929","121145","Present",NA,NA
+"34930","Drostanolone propionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dromostanolone Propionate",NA,"CCC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(C(=O)C4)C)C)C","NOTIQUSPUUHHEH-UXOVVSIBSA-N",224004,NA,"PDBC34930","12198","Present",NA,NA
+"34931","Dthib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794587",NA,"C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])F","DWVIOMKFHSRQQM-UHFFFAOYSA-N",108866909,NA,"PDBC34931","794587","Present",NA,NA
+"34932","Dtxsid001000071",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thysanolactone",NA,"CC(=C)C1CCC2(C1CCC3(C2CCC4C3(CCC5C4(C6C(=O)OC(C5(C)C)O6)C)C)C)C","JKVLECODSCOIBO-UHFFFAOYSA-N",434400,NA,"PDBC34932","349620","Present",NA,NA
+"34933","Dtxsid00913646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665772",NA,"C1CN(CCC1=C(C#N)C2=CC=CC=C2)CCCC(=O)C3=CC=C(C=C3)F.Cl","LHMDSBDHRXPARH-UHFFFAOYSA-N",380291,NA,"PDBC34933","665772","Present",NA,NA
+"34934","Dtxsid00914734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4(1H)-Pyrimidinone, 5-amino-6-(.beta.D-glucopyranosyl- a...",NA,"COC1=NC(=C(C(=O)N1)N)NC2C(C(C(C(O2)CO)O)O)O","VSJOLCXIFHQZRD-UHFFFAOYSA-N",135503413,NA,"PDBC34934","624646","Present",NA,NA
+"34935","Dtxsid00920097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-[(3,4-Dioxo-1-naphthyl)amino]phenyl]-N-(3-nitrophenyl)-2,4-dioxo-butanamide",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]","PUXUSCGZHRZRQN-UHFFFAOYSA-N",369472,NA,"PDBC34935","641242","Present",NA,NA
+"34936","Dtxsid00924676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"transvaalin",NA,"CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)OC7C(C(C(C(O7)CO)O)O)O)O","SANIPSLLLIEJOB-NCQVURFFSA-N",222156,NA,"PDBC34936","7525","Present",NA,NA
+"34937","Dtxsid00928073",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alanine, 3-[p-[bis(2-chloroethyl)amino]phenyl]-N-(N-form...",NA,"CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC=O","IGMJUMLGHIBRFY-UHFFFAOYSA-N",250002,NA,"PDBC34937","68989","Present",NA,NA
+"34938","Dtxsid00942077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646395",NA,"C[N+](C)(CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])[O-].Cl","FLKXDNDCOXXZNL-UHFFFAOYSA-N",371872,NA,"PDBC34938","646395","Present",NA,NA
+"34939","Dtxsid00942698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC156274",NA,"CN(C)CCCN1C2=C(C=NC=C2)SC3=CC=CC=C31.Cl","INKYLGRZJWDKOY-UHFFFAOYSA-N",54604352,NA,"PDBC34939","156274","Present",NA,NA
+"34940","Dtxsid00974959",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-5-Thia-2a,6,10c-triazaaceanthrylen-3-ol, 1,3,4,10b-te...",NA,"C1CN2C(CSC3=NC4=CC=CC=C4C1N32)(C5=CC=CC=C5)O.Br","HPPYOGTYHBKUGN-UHFFFAOYSA-N",12267385,NA,"PDBC34940","283477","Present",NA,NA
+"34941","Dtxsid00985166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[a]heptalen-9(5H)-one, 6,7-dihydro-7-(.beta.-D-mann...",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC4C(C(C(C(O4)CO)O)O)O)OC)OC","ACIAPWKOTHFOAA-XQMHFWANSA-N",302371,NA,"PDBC34941","221659","Present",NA,NA
+"34942","Dtxsid00994258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Obtusol",NA,"CC1(C(C(CC(=C)C12CCC(C(C2)Cl)(C)Br)O)Br)C","JPQFUHCOKXIWBB-LJURCNODSA-N",399421,NA,"PDBC34942","710203","Present",NA,NA
+"34943","Dtxsid101006296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Caesalpinine A",NA,"C1CCN2CC(CNC(=O)CC(NC1)C3=CC=CC=C3)C(C2=O)C(C4=CC=CC=C4)O","SHBCCFGHZDXOET-UHFFFAOYSA-N",435881,NA,"PDBC34943","378247","Present",NA,NA
+"34944","Dtxsid10713053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Naphthalenedisulfonic acid, 7,7'-azoxybis [[[[[(2-su...",NA,"C1=CC(=CC=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)N=NC4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)N=[N+](C6=CC(=C(C=C6)C=CC7=C(C=C(C=C7)N=NC8=CC=C(C=C8)N=NC9=CC1=C(C=C(C=C1C=C9)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+]","DNNJCJMEUUJKGJ-SHFIEPTGSA-N",54601070,NA,"PDBC34944","35617","Present",NA,NA
+"34945","Dtxsid10913354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(10-Methyl-10H-indolo[3,2-b]quinolin-11-yl)amino-2,6-b...",NA,"CCN(CC)CC1=CC(=CC(=C1O)CN(CC)CC)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3C.Cl","MBGRQOWLEBZBCK-UHFFFAOYSA-N",376179,NA,"PDBC34945","656712","Present",NA,NA
+"34946","Dtxsid10918440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC153533",NA,"COC1=C(C=C2C(=C1)CCN=C2CCN)OC.Cl","VMJDJWQVQFBXDP-UHFFFAOYSA-N",54611410,NA,"PDBC34946","153533","Present",NA,NA
+"34947","Dtxsid10928125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D 399",NA,"CC1CC(CC(C1)(C2=CC=CC=C2)OCCN3CCCCC3)(C)C.Cl","NDXHBSOWNAFKMV-UHFFFAOYSA-N",24189785,NA,"PDBC34947","96255","Present",NA,NA
+"34948","Dtxsid10935152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC96694",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)SCCN.Cl","HVMJNOWTUHSJON-UHFFFAOYSA-N",13267783,NA,"PDBC34948","96694","Present",NA,NA
+"34949","Dtxsid10946142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-hydroxy-2-[[2-(phenylmethoxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]propanoate",NA,"COC(=O)C(CO)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","URGKCDLCQYUTLA-UHFFFAOYSA-N",279421,NA,"PDBC34949","129922","Present",NA,NA
+"34950","Dtxsid10949698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4,5-dimethyl-N'-(4-methylphenyl)sulfonylbenzohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(C=C(C(=C2)C)C)N","BHWTXAACUSJOBG-UHFFFAOYSA-N",267792,NA,"PDBC34950","107453","Present",NA,NA
+"34951","Dtxsid10965691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanidine, 1-(4-chloro-.alpha.,.alpha.,.alpha.-trifluoro...",NA,"CC1=CC(=NC(=N1)N=C(N)NC2=CC(=C(C=C2)Cl)C(F)(F)F)NCCN(C(C)C)C(C)C","DINNMQMTOABTAT-UHFFFAOYSA-N",49791547,NA,"PDBC34951","127328","Present",NA,NA
+"34952","Dtxsid10985051",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48403",NA,"C1=CC=C(C=C1)CSC2=NC=CC(=N2)NC3=C(C=CC(=C3)Cl)Cl.Cl","QMFOMWKFTWPCMA-UHFFFAOYSA-N",24186314,NA,"PDBC34952","48403","Present",NA,NA
+"34953","Dtxsid10985253",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC275647",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)COC)O)N)O.Cl","NFAUERLESUWLDV-IBOVKBSISA-N",24197836,NA,"PDBC34953","275647","Present",NA,NA
+"34954","Dtxsid10988441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]-trimethylazanium;chloride",NA,"C[N+](C)(C)C1=NC(=NC2=C1N=CN2C3C(C(C(O3)CO)O)O)N.[Cl-]","OAIROYKFXZPWFH-UHFFFAOYSA-M",5351860,NA,"PDBC34954","66380","Present",NA,NA
+"34955","Dtxsid201002592",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sergiolide",NA,"CC1C2CC3C45COC(C4C(C(=O)O3)OC(=O)C)(C(C(C5C2(C=C6C1=CC(=O)O6)C)O)O)C(=O)OC","ZZKFDOQILIXHHH-UHFFFAOYSA-N",5201,NA,"PDBC34955","344025","Present",NA,NA
+"34956","Dtxsid201007778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC368891",NA,"CC1(N=C(N=C(N1C2=CC=CC(=C2)CSC3=CC=CC=C3)N)N)C.Cl","TVHJZVGRHXISIF-UHFFFAOYSA-N",24200351,NA,"PDBC34956","368891","Present",NA,NA
+"34957","Dtxsid20905967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC101335",NA,"COC1=CC(=CC(=C1OC)OC)CNCC2=CC(=C(C(=C2)OC)OC)OC.Cl","MSYPSCQESOIXJR-UHFFFAOYSA-N",54606257,NA,"PDBC34957","101335","Present",NA,NA
+"34958","Dtxsid20907668",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659148",NA,"CCN(CC)CCN1C2=C(C=CC(=C2)Cl)N=C1CC3=CC=C(C=C3)OC.Cl","RZAVFGNMQHMDLC-UHFFFAOYSA-N",377579,NA,"PDBC34958","659148","Present",NA,NA
+"34959","Dtxsid20943884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Azaguanosine",NA,"C(C1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)N=N2)O)O)O","QOVIBFFZCVPCEI-UHFFFAOYSA-N",135408506,NA,"PDBC34959","46788","Present",NA,NA
+"34960","Dtxsid20946638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Benzoylsulfanylmethyl)-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] benzoate",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)F)CSC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4","AFUDIJVTABHLBY-UHFFFAOYSA-N",251458,NA,"PDBC34960","71850","Present",NA,NA
+"34961","Dtxsid20967808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonamide, N-[4-[(3-nitro-9-acridinyl)amino]phe...",NA,"CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-].Cl","OVSYEZGTQMCACX-UHFFFAOYSA-N",12999180,NA,"PDBC34961","128578","Present",NA,NA
+"34962","Dtxsid20968815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC296568",NA,"C1CCN(C1)CCCN2C(=O)COC(=N2)C3=CC=CC=C3O.Cl","FWGCOBHBBCAFKY-UHFFFAOYSA-N",135502198,NA,"PDBC34962","296568","Present",NA,NA
+"34963","Dtxsid20973025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622641",NA,"C1=CC=C(C=C1)N=C2N=C(SS2)N.Br","SAEYWMSDTTXZHA-UHFFFAOYSA-N",360507,NA,"PDBC34963","622641","Present",NA,NA
+"34964","Dtxsid20973202",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ISOBRUCEIN A",NA,"CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)CC(C)C)(OC5)C(=O)OC)O)O)C)O","NTBOLWMPXFGUHO-UHFFFAOYSA-N",322357,NA,"PDBC34964","279503","Present",NA,NA
+"34965","Dtxsid20982879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,7-Heptanediamine, N,N'-bis(2-methyl-7-nitro-4-quinolin...",NA,"CC1=CC(=C2C=CC(=CC2=N1)[N+](=O)[O-])NCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)[N+](=O)[O-].Cl","PUIKGXLITDKEAM-UHFFFAOYSA-N",54608720,NA,"PDBC34965","272346","Present",NA,NA
+"34966","Dtxsid20984257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ROYLEANONE-7A-FORMYLOXY-6B-HYDROXY-ERU 701",NA,"CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3C(C2OC=O)O)(C)C)C)O","NSCMIMHUVQXSBW-UHFFFAOYSA-N",433733,NA,"PDBC34966","337581","Present",NA,NA
+"34967","Dtxsid30927195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arabinopyranoside, methyl, 2,3-dibenzoate 4-p-toluenesul...",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2COC(C(C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC","JCSXKIONPSDJBE-UHFFFAOYSA-N",260901,NA,"PDBC34967","92713","Present",NA,NA
+"34968","Dtxsid30930780",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pleurotine",NA,"CC1COC2C3C4C1CCC4CC5C3C(C6=C2C(=O)C=CC6=O)OC5=O","SBDBJWBHRZQCQD-UHFFFAOYSA-N",344218,NA,"PDBC34968","401005","Present",NA,NA
+"34969","Dtxsid30961872",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC249910",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)Cl)O","KUAKYFCHUDSMNU-FQEVSTJZSA-N",317560,NA,"PDBC34969","249910","Present",NA,NA
+"34970","Dtxsid40909169",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[16-(Aziridin-1-ylmethyl)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4=O)CN5CC5)C)C","CJUKMDBJDPZAEN-UHFFFAOYSA-N",270053,NA,"PDBC34970","112147","Present",NA,NA
+"34971","Dtxsid40956214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(17-Acetyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) carbamimidothioate;4-methylbenzenesulfonic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)SC(=N)N)C)C","WGDGAFGEBJZMBJ-UHFFFAOYSA-N",276191,NA,"PDBC34971","123477","Present",NA,NA
+"34972","Dtxsid40979448",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,8-Bis((dimethylamino)methyl)cyclooctanone hydrochloride",NA,"CN(C)CC1CCCCCC(C1=O)CN(C)C.Cl","WZQKEFKBISEZLU-UHFFFAOYSA-N",373400,NA,"PDBC34972","38530","Present",NA,NA
+"34973","Dtxsid40985362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrromycin",NA,"CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)O)N(C)C)O","ZJBMQVPEJHVSQA-KNYUDZPRSA-N",320287,NA,"PDBC34973","267229","Present",NA,NA
+"34974","Dtxsid50906285",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663970",NA,"COC1=CC=C(C2=CC=CC=C21)CN=C(N)N.OS(=O)(=O)O","UTKYHUMQCYYUGO-UHFFFAOYSA-N",379427,NA,"PDBC34974","663970","Present",NA,NA
+"34975","Dtxsid50960201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5,7,2,4,6,8-Tetraazatetraphosphocine, 2,2,4,4,6,6,8,...",NA,"CCCCNP1(=NP(=NP(=NP(=N1)(NCCCC)NCCCC)(NCCCC)NCCCC)(NCCCC)NCCCC)NCCCC","VUXWEFDMCHUGCK-UHFFFAOYSA-N",246248,NA,"PDBC34975","58924","Present",NA,NA
+"34976","Dtxsid50996267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC400492",NA,"CN(C)CCC(C#N)(C1=CC=CC=C1)C2=CC=CC=C2.Cl","TVNSVUNDENKORK-UHFFFAOYSA-N",24191576,NA,"PDBC34976","400492","Present",NA,NA
+"34977","Dtxsid60915181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Methylpyrrolidin-1-yl)propyl 4-cyclohex-2-en-1-yloxybenzoate;hydrochloride",NA,"CC1CCCN1CCCOC(=O)C2=CC=C(C=C2)OC3CCCC=C3.Cl","XOAVVMDWAJSGJI-UHFFFAOYSA-N",24181695,NA,"PDBC34977","10709","Present",NA,NA
+"34978","Dtxsid60920331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanone, 3-(dimethylamino)-2-[(dimethylamino)methyl]...",NA,"CN(C)CC(CN(C)C)C(=O)C1=CC=C(C=C1)OC.Cl","VEZHWIXSWJIYKI-UHFFFAOYSA-N",54607588,NA,"PDBC34978","317917","Present",NA,NA
+"34979","Dtxsid60956751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WR 122455",NA,"C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=C(C=CC4=C2)C(F)(F)F)C(F)(F)F)O.Cl","HKAMJBJQZVUJFZ-UHFFFAOYSA-N",161868,NA,"PDBC34979","140364","Present",NA,NA
+"34980","Dtxsid60978832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17779",NA,"C1=CC(=C(C=C1CSCCC2=CC=NC=C2)Cl)Cl.Cl","OBUCNZNZFXYGCA-UHFFFAOYSA-N",24182555,NA,"PDBC34980","17779","Present",NA,NA
+"34981","Dtxsid60983880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, [2-(1,3-dihydro-2H-isoindol-2-yl)ethyl]trip...",NA,"C1C2=CC=CC=C2CN1CC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]","QUNAWFXEKMWPCT-UHFFFAOYSA-M",22210410,NA,"PDBC34981","281625","Present",NA,NA
+"34982","Dtxsid70959718",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[[3-[(6-chloro-2-methoxy-9-acridinyl)amino]pr...",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCCO.Cl","HPTNFTTURYHANM-UHFFFAOYSA-N",24182153,NA,"PDBC34982","14071","Present",NA,NA
+"34983","Dtxsid70969377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Benzylsulfanylquinolin-8-yl)-N',N'-diethylpropane-1,3-diamine",NA,"CCN(CC)CCCNC1=CC=CC2=C(C=CN=C21)SCC3=CC=CC=C3","HRNGEYSSMHIOAU-UHFFFAOYSA-N",224815,NA,"PDBC34983","13628","Present",NA,NA
+"34984","Dtxsid70975872",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,6-Quinolinediamine, N4,N4'-1,6-hexanediylbis[2-methyl-...",NA,"CC1=CC(=C2C=C(C=CC2=N1)N)NCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)N.Cl","RDEWBWVNGRTDFZ-UHFFFAOYSA-N",54606675,NA,"PDBC34984","143057","Present",NA,NA
+"34985","Dtxsid70984585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC274902",NA,"C1(=C(C(=C(C(=C1F)F)F)F)F)N=C(N)N=C(N)N.Cl","KUXIPEGGRSGSKY-UHFFFAOYSA-N",24197821,NA,"PDBC34985","274902","Present",NA,NA
+"34986","Dtxsid70991416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stypoldione",NA,"CC1CCC2C3(CCC(C(C3CCC2(C14CC5=C(O4)C(=CC(=O)C5=O)C)C)(C)C)O)C","LLWMPGSQZXZZAE-UHFFFAOYSA-N",433930,NA,"PDBC34986","339672","Present",NA,NA
+"34987","Dtxsid80913609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dichloro-10-[3-(dimethylamino)propyl]benzo[g]pteridine-2,4-dione;hydrochloride",NA,"CN(C)CCCN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl.Cl","HNRHHFLHZSXOJL-UHFFFAOYSA-N",24185927,NA,"PDBC34987","44684","Present",NA,NA
+"34988","Dtxsid80923102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Weisiensin A",NA,"CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(C3OC(=O)C)O)(C)C)O)OC(=O)C)C)C(=O)C2=C","QTLPNFQMZWBMDF-QWOINNSUSA-N",377386,NA,"PDBC34988","658829","Present",NA,NA
+"34989","Dtxsid80929048",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(2-acetamido-3-phenylpropanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate",NA,"CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC2=CC=CC=C2)NC(=O)C","DGOPINOGGYUGAU-UHFFFAOYSA-N",243456,NA,"PDBC34989","53292","Present",NA,NA
+"34990","Dtxsid80964232",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide",NA,"CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O","FBZHXZRNIYVAEX-UHFFFAOYSA-N",369944,NA,"PDBC34990","642311","Present",NA,NA
+"34991","Dtxsid80971385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudobrucine",NA,"COC1=C(C=C2C(=C1)C34CCN5C3(CC6C7C4N2C(=O)CC7OCC=C6C5)O)OC","JNNROFOMHXIAMQ-UHFFFAOYSA-N",264628,NA,"PDBC34991","99794","Present",NA,NA
+"34992","Dtxsid80978596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridine, 6-chloro-9-[[4-(diethylamino)butyl]amino]-2-me...",NA,"CCN(CC)CCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl","UFESHPVTIVDMGM-UHFFFAOYSA-N",24181383,NA,"PDBC34992","8591","Present",NA,NA
+"34993","Dtxsid80978859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC45869",NA,"C1=CC=NC(=C1)CCSC(=N)N.Cl","TWNIUHSVZYSGBN-UHFFFAOYSA-N",24186110,NA,"PDBC34993","45869","Present",NA,NA
+"34994","Dtxsid80986131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyladriamycin",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N(C)C)O.Cl","GDHDMMYJQUZEPN-MTDHEZBUSA-N",24197346,NA,"PDBC34994","261045","Present",NA,NA
+"34995","Dtxsid80991109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihyd...",NA,"CCN(CC)C1CC(OC(C1O)C)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O.Cl","GDIORRHLBKYQCZ-PYBHCKQVSA-N",24197596,NA,"PDBC34995","268239","Present",NA,NA
+"34996","Dtxsid80991503",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Naphthacenedione, 7-[(3-amino-2,3,6-trideoxy-.alpha...",NA,"CC1C(C(CC(O1)OC2CCCC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)N)O.Cl","YTFBPFAMUWVIPF-UHFFFAOYSA-N",24195780,NA,"PDBC34996","221267","Present",NA,NA
+"34997","Dtxsid90918504",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,1'-Biphenyl]-2-ol, 4'-chloro-5-[(7-chloro- 4-quinolin...",NA,"CC(C)(C)NCC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)Cl)O.Cl","KPSHZFLFSGVOHU-UHFFFAOYSA-N",54601565,NA,"PDBC34997","364657","Present",NA,NA
+"34998","Dtxsid90947233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidinium, 1-[4-(4-nitrophenyl)-1,3-dithiol-2-ylidene...",NA,"C1CC[N+](=C2SC=C(S2)C3=CC=C(C=C3)[N+](=O)[O-])CC1.OS(=O)(=O)[O-]","DWUJGGCLDGYBPI-UHFFFAOYSA-M",24198610,NA,"PDBC34998","301189","Present",NA,NA
+"34999","Dtxsid90964223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5-Dimethyl-6'-nitro-3-phenylspiro[1,3-oxazolidine-4,2'-chromene]-2-one",NA,"CC1(C2(C=CC3=C(O2)C=CC(=C3)[N+](=O)[O-])N(C(=O)O1)C4=CC=CC=C4)C","IOOQJTUJMJYIHI-UHFFFAOYSA-N",392261,NA,"PDBC34999","692402","Present",NA,NA
+"35000","Dtxsid90965457",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(6-Chloro-1,1-dioxo-7-sulfamoyl-4H-1lambda6,2,4-benzothiadiazin-3-yl)propanoic acid",NA,"C1=C2C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N=C(N2)CCC(=O)O","ZWUAVQXIWHVWDR-UHFFFAOYSA-N",5458565,NA,"PDBC35000","279835","Present",NA,NA
+"35001","Dtxsid90968807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.BETA.-HYDROXY-7,11-DIOXO-4,4,14-TRIMETHYL-5.ALPHA.-CHO...",NA,"CC(CCC(=O)O)C1CCC2(C1(CC(=O)C3C2C(=O)CC4C3(CCC(C4(C)C)O)C)C)C","DFWCSGAJNBBVMR-JYHUSGTRSA-N",219835,NA,"PDBC35001","1614","Present",NA,NA
+"35002","Dtxsid90973638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamimidothioic acid, [2-methyl-1-(phenylmethyl)-1H-im...",NA,"CC1=NC=C(N1CC2=CC=CC=C2)CSC(=N)N.Cl","PLMDAKRVVPWPFI-UHFFFAOYSA-N",54607358,NA,"PDBC35002","269911","Present",NA,NA
+"35003","Dtxsid90978466",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC11050",NA,"CC1=CN=C2C=C(C=CC2=C1NCCN(CC(C)C)CC(C)C)Cl.OP(=O)(O)O","DYSXQDJZILXXFY-UHFFFAOYSA-N",22210395,NA,"PDBC35003","11050","Present",NA,NA
+"35004","Dtxsid90997753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(6-Methoxy-4-methyl-8-quinolinyl)-1,4-hexanediamine, ...",NA,"CCC(CCCN)NC1=CC(=CC2=C(C=CN=C12)C)OC.OP(=O)(O)O","KUKXTXJEFVHIDT-UHFFFAOYSA-N",380143,NA,"PDBC35004","665546","Present",NA,NA
+"35005","Dtxsid90998881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-Pyrrolo[3,2-f]quinazoline-2,4(3H)-diamine, 3-[(3-amin...",NA,"C1=CC(=CC=C1CN2C=CC3=C2C=CC4=C3C(=NC(=N4)N)N)N.Cl","XHQRYJPFWYWKGX-UHFFFAOYSA-N",24198955,NA,"PDBC35005","309401","Present",NA,NA
+"35006","Dubamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dubamine",NA,"C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C=C3","VQHLFUQPZRTKIV-UHFFFAOYSA-N",360322,NA,"PDBC35006","622369","Present",NA,NA
+"35007","Dubiusine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dubiusine",NA,"CC(CC(=O)OC1=C(C=C2C(=C1)C3C(C(C=C4C3N(CC4)C)OC(=O)C)OC2=O)OC)O","FBWQZJWDTGIERI-LQBUJFQQSA-N",5459155,NA,"PDBC35007","631346","Present",NA,NA
+"35008","Duborimycin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"daunorubicineal",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(C)O)O)N)O.Cl","LQLMJJJLWJUAMM-FDUHLMOMSA-N",24195349,NA,"PDBC35008","180510","Present",NA,NA
+"35009","Dumijwxaoiemim-uhfffaoysa-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-phenyl-6,7-dihydro-5H-imidazo[2,1-c][1,2,4]oxadiazole",NA,"C1CN2C(ONC2=N1)C3=CC=CC=C3","DUMIJWXAOIEMIM-UHFFFAOYSA-N",11106127,NA,"PDBC35009","727194","Present",NA,NA
+"35010","Duramycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Duramycin",NA,NA,NA,NA,NA,"PDBC35010","71935","Present",NA,NA
+"35011","Duvelisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IPI-145",NA,"CC(C1=CC2=C(C(=CC=C2)Cl)C(=O)N1C3=CC=CC=C3)NC4=NC=NC5=C4NC=N5","SJVQHLPISAIATJ-ZDUSSCGKSA-N",50905713,NA,"PDBC35011","772469","Present",NA,NA
+"35012","Dypnone guanyl hydrazone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dypnone guanyl hydrazone hydrochloride",NA,"CC(=CC(=NN=C(N)N)C1=CC=CC=C1)C2=CC=CC=C2.Cl","FHQOLBQKSNLIEZ-UOHPEKPOSA-N",54608667,NA,"PDBC35012","67025","Present",NA,NA
+"35013","Dysidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dysidamide",NA,"CC(CC1C(C(C(=O)N1C(=O)CC(C)C(Cl)(Cl)Cl)(C)C)O)C(Cl)(Cl)Cl","SZYKZXUJGUQVIX-CKQMPDBCSA-N",6711373,NA,"PDBC35013","624457","Present",NA,NA
+"35014","Dysorone E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dysorone E",NA,"CC(=CC1CC(CO1)C2CC=C3C2(CCC4C3(C(=O)CC5C4(C=CC(=O)C5(C)CO)C)C)C)C","LBCVUGXXRUZTFT-UAWYEJSOSA-N",5459221,NA,"PDBC35014","651415","Present",NA,NA
+"35015","E,E Incanic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E,E incanic acid",NA,"CC(=CCCC(=CCCC(=CCCC1=COC=C1)C(=O)O)C(=O)O)C","QZDPUYWKZQBXTJ-SCNFBCNRSA-N",5469523,NA,"PDBC35015","689439","Present",NA,NA
+"35016","E,Z Incanic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E,Z Incanic acid",NA,"CC(=CCCC(=CCCC(=CCCC1=COC=C1)C(=O)O)C(=O)O)C","QZDPUYWKZQBXTJ-HCKUEKJXSA-N",5469522,NA,"PDBC35016","689438","Present",NA,NA
+"35017","E,e-Carotene-3,3'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6RS,6'RS)-.epsilon.,.epsilon.-Carotene-3,3'-dione",NA,"CC1=CC(=O)CC(C1C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2C(=CC(=O)CC2(C)C)C)C)C)(C)C","IMFOMPZKWQBDLQ-DKLMTRRASA-N",5471691,NA,"PDBC35017","713074","Present",NA,NA
+"35018","E-4031 dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E-4031 dihydrochloride",NA,NA,NA,NA,NA,"PDBC35018","782346","Present",NA,NA
+"35019","E-564",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E-564",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCOCCO","VGQJRAZEAYCIOL-NKFKGCMQSA-N",135436295,NA,"PDBC35019","717835","Present",NA,NA
+"35020","E-7046",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E-7046",NA,"CC(C1=CC=C(C=C1)C(=O)O)NC(=O)C2=C(N(N=C2C(F)F)C)OC3=CC=CC(=C3)C(F)(F)F","MKLKAQMPKHNQPR-NSHDSACASA-N",56944705,NA,"PDBC35020","804040","Present",NA,NA
+"35021","E-7090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E-7090",NA,"CNC(=O)N1C=CC2=CC(=C(C=C21)OCCOC)OC3=CC(=NC=C3)NC(=O)C4=CC=C(C=C4)C5CCN(CC5)CCO","IBHOLSBDZMIPPT-UHFFFAOYSA-N",78323434,NA,"PDBC35021","806388","Present",NA,NA
+"35022","E-Norendoxifen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E/Z-Norendoxifen",NA,"CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN)C3=CC=CC=C3","YCQBLTPGQSYLHD-WCWDXBQESA-N",60202715,NA,"PDBC35022","775353","Present",NA,NA
+"35023","E/Z-4,(2-Hydroxyethylamino)-D-fructose (3-methylbenzothiazolin-2-ylidene)hyrazone formate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E/Z-4,6-O-benzylidene-1-deoxy-1,(2-hydroxyethylamino)-D-...",NA,"CN1C2=CC=CC=C2SC1=NN=C(CNCCO)C(C3C(COC(O3)C4=CC=CC=C4)O)O.C(=O)O","HVMNMJJULAWXSW-VTVFCBIHSA-N",54611448,NA,"PDBC35023","704605","Present",NA,NA
+"35024","E2GG,7-bis[(4-methoxybenzyl)amino]-3-isopropylpyrazolo[4,3-d]py rimidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E2GG, 5,7-bis[(4-methoxybenzyl)amino]-3-isopropylpyrazol...",NA,"CC(C)C1=C2C(=NN1)C(=NC(=N2)NCC3=CC=C(C=C3)OC)NCC4=CC=C(C=C4)OC","JLVOUKYHCMDIQP-UHFFFAOYSA-N",16099748,NA,"PDBC35024","736739","Present",NA,NA
+"35025","ECHINOSPORIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ECHINOSPORIN",NA,"C1=CC2(C3C1C(OC(=C3)C(=O)N)OC2=O)O","OXSZHYWOGQJUST-UHFFFAOYSA-N",434786,NA,"PDBC35025","357683","Present",NA,NA
+"35026","EED-226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EED-226",NA,"CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4","DYIRSNMPIZZNBK-UHFFFAOYSA-N",123132228,NA,"PDBC35026","803408","Present",NA,NA
+"35027","EF-5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EF-5",NA,"C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCC(C(F)(F)F)(F)F","JGGDSDPOPRWSCX-UHFFFAOYSA-N",389053,NA,"PDBC35027","684681","Present",NA,NA
+"35028","EG 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EG 2",NA,NA,NA,NA,NA,"PDBC35028","270927","Present",NA,NA
+"35029","ELACTOCIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ELACTOCIN",NA,"CCC(=CC(C)CC=CC(=CC(C)C(=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC1C(C=CC(=O)O1)C","YACHGFWEQXFSBS-SAYXANOCSA-N",5458861,NA,"PDBC35029","364372","Present",NA,NA
+"35030","ELLIPTICINE, 9-(DIMETHYLAMINOETHOXY)-, DIHYDROCHLORIDE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ELLIPTICINE, 9-(DIMETHYLAMINOETHOXY)-, DIHYDROCHLORIDE",NA,"CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OCCN(C)C)C.Cl","VAQMKTWTRBFULR-UHFFFAOYSA-N",54601911,NA,"PDBC35030","338258","Present",NA,NA
+"35031","EMD-534085",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EMD-534085",NA,"CN(C)CCNC(=O)NCC1CCC2C(NC3=C(C2O1)C=C(C=C3)C(F)(F)F)C4=CC=CC=C4","MARIUIDCPUZLKZ-FUKQBSRTSA-N",23634407,NA,"PDBC35031","763564","Present",NA,NA
+"35032","EN300-03848",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-03848",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NN","AECZZXCAOYZBRA-UHFFFAOYSA-N",722817,NA,"PDBC35032","695067","Present",NA,NA
+"35033","EN300-06024",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-06024",NA,"C1=CC(=CC=C1CC2=NC(=S)NN2)Cl","MOLLSIZVSZCIOU-UHFFFAOYSA-N",1550520,NA,"PDBC35033","686976","Present",NA,NA
+"35034","EN300-06551",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-06551",NA,"C1=CC=C2C(=C1)N=C(S2)CC(=O)NC3=CC=C(C=C3)Cl","LENBBBAUQPOLJK-UHFFFAOYSA-N",359791,NA,"PDBC35034","621354","Present",NA,NA
+"35035","EN300-14326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-14326",NA,"C=CCN1C2=C(C(=O)NC=N2)SC1=S","XMSJNOBHTISRAW-UHFFFAOYSA-N",135408963,NA,"PDBC35035","650580","Present",NA,NA
+"35036","EN300-25990",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-25990",NA,"CCC1=C(C(=S)NC2=C1CCC2)C#N","QKYPEAYWLXDFCP-UHFFFAOYSA-N",794510,NA,"PDBC35036","705925","Present",NA,NA
+"35037","EN300-27488",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-27488",NA,"C1=CC2=C(C=C1C(F)(F)F)N=C(S2)CC#N","QBZYAWYXEIFDQV-UHFFFAOYSA-N",395238,NA,"PDBC35037","699713","Present",NA,NA
+"35038","EN300-36450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-36450",NA,"C1=CC(=CC=C1C=C2C(=O)C3=C(O2)C=C(C=C3)O)[N+](=O)[O-]","SJNIVFZEKRLLEP-AUWJEWJLSA-N",940606,NA,"PDBC35038","657010","Present",NA,NA
+"35039","EN300-79332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-79332",NA,"C1CCC2(C1)C3=CC=CC=C3NC2=O","WFPNMCKAQLBEMD-UHFFFAOYSA-N",363343,NA,"PDBC35039","628199","Present",NA,NA
+"35040","ENHYDRIN A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ENHYDRIN A",NA,"CC1C(O1)(C)C(=O)OC2C3C(C4C(O4)(CCC=C(C2OC(=O)C)C(=O)OC)C)OC(=O)C3=C","VCBNPTWPJQLHQN-FNNTXMBASA-N",5359029,NA,"PDBC35040","294601","Present",NA,NA
+"35041","ENT 51408",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ENT 51408",NA,"C1=CN=C(C=N1)C2=NC(=NC(=N2)N)N","NBTPDJCUHITSDX-UHFFFAOYSA-N",146422,NA,"PDBC35041","699729","Present",NA,NA
+"35042","ENTANDROPHRAGMIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ENTANDROPHRAGMIN",NA,"CCC(C)C(=O)OC1CC2(C(OC(=O)CC23C45C1(C6(C(C7(CC6(C(C7OC(=O)C8(C(O8)C)C)(C4OC(=O)C(C)C)O)O)C)CC(=O)OC)C)OC(O3)(O5)C)C9=COC=C9)C","BUVRFGBECZFCRL-UHFFFAOYSA-N",431218,NA,"PDBC35042","290642","Present",NA,NA
+"35043","EPOXYGERANYLEMODINE, 03-C6-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EPOXYGERANYLEMODINE, 03-C6-",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)OCC=C(C)CCC4C(O4)(C)C","HWGSNINRXUADDX-NTUHNPAUSA-N",5912629,NA,"PDBC35043","337592","Present",NA,NA
+"35044","EPZ-011989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EPZ-011989",NA,"CCN(C1CCC(CC1)N(C)CCOC)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)C#CCN4CCOCC4","XQFINGFCBFHOPE-UHFFFAOYSA-N",73670548,NA,"PDBC35044","809099","Present",NA,NA
+"35045","EPZ-015666",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EPZ-015666",NA,"C1CN(CC2=CC=CC=C21)CC(CNC(=O)C3=CC(=NC=N3)NC4COC4)O","ZKXZLIFRWWKZRY-KRWDZBQOSA-N",90241673,NA,"PDBC35045","785299","Present",NA,NA
+"35046","EPZ-020411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EPZ-020411",NA,"CNCCN(C)CC1=C(NN=C1)C2=CC=C(C=C2)OC3CC(C3)OCCC4CCOCC4","QMDKVNSQXPVCRD-UHFFFAOYSA-N",91668547,NA,"PDBC35046","790865","Present",NA,NA
+"35047","EPZ-031686",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EPZ-031686",NA,"C1CC2CC(CC1N2S(=O)(=O)CC3CCN(CC3)CCCC(F)(F)F)NC(=O)C4=C(C=C5C(=C4)CC(=O)N5)Cl","OTEIUEJPHNOGBG-IHWFROFDSA-N",118946372,NA,"PDBC35047","804862","Present",NA,NA
+"35048","EPZ-5687",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EPZ-5687",NA,"CC1=CC(=C(C(=O)N1)CNC(=O)C2=C3C=NN(C3=CC(=C2)C4=CC=C(C=C4)CN5CCOCC5)C6CCCC6)C","ZOIBZSZLMJDVDQ-UHFFFAOYSA-N",60160561,NA,"PDBC35048","783332","Present",NA,NA
+"35049","ERB-38 Immunotoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ERB-38 Immunotoxin",NA,NA,NA,NA,NA,"PDBC35049","683039","Present",NA,NA
+"35050","ERIOFLORIN ACETATE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ERIOFLORIN ACETATE",NA,"CC1=CC2C(C(CC3(C(O3)CC1OC(=O)C)C)OC(=O)C(=C)C)C(=C)C(=O)O2","RXIZKFBTUOTBOZ-YRNVUSSQSA-N",5358418,NA,"PDBC35050","251667","Present",NA,NA
+"35051","EU-0000702",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0000702",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC(=NN3)C4=CC=CC=C4","DCIQENUTBBHOJW-UHFFFAOYSA-N",399169,NA,"PDBC35051","709588","Present",NA,NA
+"35052","EU-0000809",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0000809",NA,"CC1=CCC2CC1NC(=O)CCOCCC(=O)NC2(C)C","NADMYHVEYWCVSO-UHFFFAOYSA-N",392986,NA,"PDBC35052","694228","Present",NA,NA
+"35053","EU-0001091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0001091",NA,"COC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4S3)OC","ZOJVMIDFYLLISF-UHFFFAOYSA-N",402450,NA,"PDBC35053","716420","Present",NA,NA
+"35054","EU-0001532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0001532",NA,"COC1=CC(=CC(=C1OC)OC)C2N(C(=O)CS2)CC3=CC=CC=C3","LTBZBEFXSXGULN-UHFFFAOYSA-N",396391,NA,"PDBC35054","702344","Present",NA,NA
+"35055","EU-0007675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0007675",NA,"C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)CC4=CC=C(C=C4)Cl","UMYWEQWZYQDPKH-UHFFFAOYSA-N",401592,NA,"PDBC35055","715288","Present",NA,NA
+"35056","EU-0013793",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0013793",NA,"CC(C)(C)NC1=NC(NC(=O)N1)(C(F)(F)F)C(F)(F)F","WWMMDSRDZNGVSI-UHFFFAOYSA-N",382491,NA,"PDBC35056","670097","Present",NA,NA
+"35057","EU-0033526",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0033526",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CN5C=CC=CC5=N4","CPWWDKWQZMSUSN-UHFFFAOYSA-N",395975,NA,"PDBC35057","701099","Present",NA,NA
+"35058","EU-0034651",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0034651",NA,"C1=CC=C2C(=C1)N=C3N2SC4=NC5=CC=CC=C5N34","JWVPHZLCUDBYMT-UHFFFAOYSA-N",396925,NA,"PDBC35058","704106","Present",NA,NA
+"35059","EU-0070102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0070102",NA,"CC1=CC=C(C=C1)N2C(=NC3=C2C(=O)C4=CC=CC=C4C3=O)C","BMTYBFYNUDRXSH-UHFFFAOYSA-N",374251,NA,"PDBC35059","651752","Present",NA,NA
+"35060","EU-0078091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0078091",NA,"C1C(=O)SC2=C(S1)SC(=S)S2","PANBNRPGPHIODL-UHFFFAOYSA-N",362960,NA,"PDBC35060","627451","Present",NA,NA
+"35061","EU-0080428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0080428",NA,"CCOC(=O)C(C(F)(F)F)(NC1=NOC(=C1)C)NC(=O)C2=CC=CC=C2","NOTBKCHVHDONNP-UHFFFAOYSA-N",389130,NA,"PDBC35061","684815","Present",NA,NA
+"35062","EU-0091995",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0091995",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)OC)C","MBFKPAUBOZNSAP-UHFFFAOYSA-N",366976,NA,"PDBC35062","636138","Present",NA,NA
+"35063","EUPATORIOPICRINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EUPATORIOPICRINE",NA,"CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCO)CO)C(=C)C(=O)O2","VWJYWGYJIDQUEG-QBPIEOQLSA-N",5935906,NA,"PDBC35063","295427","Present",NA,NA
+"35064","EVONINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EVONINE",NA,"CC1C(C(=O)OC2C(C(C3(C(C(=O)C4C(C3(C2(C)O)OC4(COC(=O)C5=C1N=CC=C5)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)C","IMIAGCONYJPMDY-UHFFFAOYSA-N",327248,NA,"PDBC35064","301491","Present",NA,NA
+"35065","EWA 4A1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EWA 4A1",NA,NA,NA,NA,NA,"PDBC35065","636197","Present",NA,NA
+"35066","EX-A776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EX-A776",NA,"CN1CCN(CC1)C(=O)C=CC2=CC=C(O2)[N+](=O)[O-]","QKTRIGNWBRHBFV-DUXPYHPUSA-N",5356520,NA,"PDBC35066","59984","Present",NA,NA
+"35067","Ebifuramin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EBIFURAMIN",NA,"CCOC(=O)C1=CNC2=C(C1=O)C=C(O2)C=NN3CC(OC3=O)CN4CCOCC4","KJBJCWYPEPHOKQ-ODCIPOBUSA-N",135429862,NA,"PDBC35067","201047","Present",NA,NA
+"35068","Eburicoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eburicoic acid",NA,"CC(C)C(=C)CCC(C1CCC2(C1(CCC3=C2CCC4C3(CCC(C4(C)C)O)C)C)C)C(=O)O","UGMQOYZVOPASJF-UHFFFAOYSA-N",237891,NA,"PDBC35068","41969","Present",NA,NA
+"35069","Echinocandin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Echinocandin B",NA,"CCCCCC=CCC=CCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC=C(C=C4)O)O)O)C(C)O)C)O)O)O","FAUOJMHVEYMQQG-FWIFIWDMSA-N",54610891,NA,"PDBC35069","287461","Present",NA,NA
+"35070","Ecteinascidin 729",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ecteinascidin 729",NA,"CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O","UPGCDKVJPIRNTG-HKGVKFBLSA-N",368263,NA,"PDBC35070","638718","Present",NA,NA
+"35071","Ecteinascidin 743",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648766",NA,"CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O","PKVRCIRHQMSYJX-XHKCZRNKSA-N",372978,NA,"PDBC35071","648766","Present",NA,NA
+"35072","Edeine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Edeine A(sub1)",NA,"C1=CC(=CC=C1C(CC(=O)NCC(C(=O)NC(CN)C(=O)NC(CCCC(C(CC(=O)NCC(=O)NCCCNCCCCN)O)N)C(=O)O)O)N)O","HENXXJCYASTLGZ-UHFFFAOYSA-N",379085,NA,"PDBC35072","663297","Present",NA,NA
+"35073","Edelfosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"edelfosine",NA,"CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+](C)(C)C)OC","MHFRGQHAERHWKZ-UHFFFAOYSA-N",1392,NA,"PDBC35073","324368","Present",NA,NA
+"35074","Eeyarestatin I-E isomer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eeyarestatin I (EER-1: N'-(4-chlorophenyl)-N-[3-(4-chlor...",NA,"CC1(C(N(C(=O)N1CC(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)N(C(=O)NC4=CC=C(C=C4)Cl)O)C","JTUXTPWYZXWOIB-LWWHHIEBSA-N",23947580,NA,"PDBC35074","748695","Present",NA,NA
+"35075","Efinrin leaves extract A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Efinrin leaves extract A",NA,NA,NA,NA,NA,"PDBC35075","646137","Present",NA,NA
+"35076","Ehretinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ehretinine",NA,"CC1CCN2C1C(CC2)OC(=O)C3=CC=C(C=C3)OC","PIRUMYPCEYRZQG-NILFDRSVSA-N",336435,NA,"PDBC35076","350856","Present",NA,NA
+"35077","EiM07-19590",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EiM07-19590",NA,"CC1(CCC2=CC3=C(C=C2O1)OC(=O)C=C3C4=CC=CC=C4)C","NRLFLYIHMXGJML-UHFFFAOYSA-N",361267,NA,"PDBC35077","624209","Present",NA,NA
+"35078","EiM07-19672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EiM07-19672",NA,"CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=O)C=CO3)C)C","PYEIFGOINRPFQZ-UHFFFAOYSA-N",371311,NA,"PDBC35078","645385","Present",NA,NA
+"35079","EiM07-30323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EiM07-30323",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)[N+](=O)[O-])C4=C(C5=CC=CC=C5OC4=O)O)O","OGZSNWHXIZDTOX-UHFFFAOYSA-N",54676522,NA,"PDBC35079","686389","Present",NA,NA
+"35080","EiM07-30327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EiM07-30327",NA,"CC(C)C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O","HJFQCLUSKVFGHQ-UHFFFAOYSA-N",54677783,NA,"PDBC35080","157307","Present",NA,NA
+"35081","EiM07-30335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EiM07-30335",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=C(C=C3)O)C4=C(C5=CC=CC=C5OC4=O)O)O","CIFQMYGGABFTLD-UHFFFAOYSA-N",54677992,NA,"PDBC35081","686391","Present",NA,NA
+"35082","EiM08-08226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EiM08-08226",NA,"C1=CC=C(C=C1)C(=O)CC2(C3=C(C(=CC=C3)Cl)NC2=O)O","FUMGGMHJSMQEHX-UHFFFAOYSA-N",366641,NA,"PDBC35082","635316","Present",NA,NA
+"35083","EiM08-08976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EiM08-08976",NA,"C1=CC=C(C(=C1)C(=O)CC2(C3=CC=CC=C3NC2=O)O)Cl","BAVIXNLNKWAHHG-UHFFFAOYSA-N",359735,NA,"PDBC35083","621181","Present",NA,NA
+"35084","Ekatetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ekatetrone",NA,"C1C2=CC3=C(C(=C2C(OC1=O)CC(=O)N)O)C(=O)C4=C(C3=O)C=CC=C4O","QZENCFIHIPLZMU-UHFFFAOYSA-N",100036,NA,"PDBC35084","319478","Present",NA,NA
+"35085","Elatol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elatol",NA,"CC1=C(CC2(CC1)C(=C)CC(C(C2(C)C)Br)O)Cl","HZKGRCIKQBHSNA-KCQAQPDRSA-N",479931,NA,"PDBC35085","785142","Present",NA,NA
+"35086","Elegin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LINICHLORINA A",NA,"CC(=C)C(=O)OC1CC(=C)C2CC(C(C2C3C1C(=C)C(=O)O3)(CCl)O)O","ONMAQPPVCANFPB-URUZQALBSA-N",182337,NA,"PDBC35086","304940","Present",NA,NA
+"35087","Elephantopin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elephantopin",NA,"CC(=C)C(=O)OC1CC2=CC(CC3(C(O3)C4C1C(=C)C(=O)O4)C)OC2=O","WIQOUTANBFOBPB-KIVXNUBRSA-N",442206,NA,"PDBC35087","100046","Present",NA,NA
+"35088","Elisabatin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elisabatin B",NA,"CC1=C2C3=C(C=C1)C(=CC(=C3C(=C(C2=O)O)C)C=C(C)C)C","QPEDAMHNYYMCLK-UHFFFAOYSA-N",10637400,NA,"PDBC35088","734921","Present",NA,NA
+"35089","Elisabatin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elisabatin C",NA,"CC1=CC(=C2C(=C(C(=C3C2=C1C(=O)C=C3C)O)O)C)C=C(C)C","RSNPUVQLPNKBAQ-UHFFFAOYSA-N",404626,NA,"PDBC35089","721054","Present",NA,NA
+"35090","Elisabethasin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elisabethasin A",NA,"CC1CCC2C(CC(C2(C1=O)C(=O)C(=C)C)C=C(C)C)C","PWDIOLQNQGTASX-SPCJURDBSA-N",392732,NA,"PDBC35090","693538","Present",NA,NA
+"35091","Elisabethin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC704380",NA,"CC1CCC2C(CC(C23C1C(=O)C(=C(C3=O)C)O)C=C(C)C)C","QPBAITGYXGUCGL-FKOZTGTQSA-N",397070,NA,"PDBC35091","704380","Present",NA,NA
+"35092","Elisapterosin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elisapterosin A",NA,"CC1CCC2C(CC3C24C1(C(=O)C5(C(C3C(O5)(C)C)(C4=O)C)O)O)C","QQNWLKBRRNMIGU-BABYDUTCSA-N",404629,NA,"PDBC35092","721057","Present",NA,NA
+"35093","Ellagic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lagistase",NA,"C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O","AFSDNFLWKVMVRB-UHFFFAOYSA-N",5281855,NA,"PDBC35093","407286","Present",NA,NA
+"35094","Ellipticine N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ellipticine N-oxide",NA,"CC1=C2C=CN(C=C2C(=C3C1=NC4=CC=CC=C43)C)O","DNDAFFBIWNXNJB-UHFFFAOYSA-N",315033,NA,"PDBC35094","237068","Present",NA,NA
+"35095","Ellipticine analog",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9 ohe hcl",NA,"CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C.Cl","DLDKVFOKLGPVBT-UHFFFAOYSA-N",148569,NA,"PDBC35095","210717","Present",NA,NA
+"35096","Ellipticine deriv dmk-I-287A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ELLIPTICINE DERIV DMK-I-287A",NA,"CCCCC1=C2C3=CC=CC=C3NC2=C(C4=C1C=CN=C4)CCCC","MSSSNMNLQFQICO-UHFFFAOYSA-N",341943,NA,"PDBC35096","376451","Present",NA,NA
+"35097","Ellipticine derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ELLIPTICINE DERIV SRI-NB-B233-55-29",NA,"CCN(CC)CC[N+]1=CC2=C(C3=C(C(=C2C=C1)C)NC4=CC=CC=C43)C.CC(=O)[O-]","AYAVXPINCQECJI-UHFFFAOYSA-N",5458841,NA,"PDBC35097","359449","Present",NA,NA
+"35098","Elliptinium acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elliptinium Acetate",NA,"CC1=C2C=C[N+](=CC2=C(C3=C1NC4=C3C=C(C=C4)O)C)C.CC(=O)[O-]","BOMZMNZEXMAQQW-UHFFFAOYSA-N",42722,NA,"PDBC35098","264137","Present",NA,NA
+"35099","Elsamicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"elsamicin",NA,"CC1C(C(C(C(O1)OC2C(OC(C(C2(C)O)O)C)OC3=CC=CC4=C3C5=C6C7=C(C=CC(=C7C(=O)O5)C)OC(=O)C6=C4O)N)OC)O","MGQRRMONVLMKJL-UHFFFAOYSA-N",5384876,NA,"PDBC35099","369327","Present",NA,NA
+"35100","Elsinochrome B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elsinochrome B",NA,"CC(C1C(C2=C3C4=C1C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC)C(=O)C)O","XOLHPTZQLUNXFP-UHFFFAOYSA-N",495865,NA,"PDBC35100","671196","Present",NA,NA
+"35101","Elsinochrome C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elsinochrome C",NA,"CC(C1C(C2=C3C4=C1C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC)C(C)O)O","ZMNNNJBGHWVPLI-UHFFFAOYSA-N",495866,NA,"PDBC35101","671197","Present",NA,NA
+"35102","Eltanexor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KPT-8602",NA,"C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)C=C(C3=CN=CN=C3)C(=O)N","JFBAVWVBLRIWHM-AWNIVKPZSA-N",86345880,NA,"PDBC35102","794443","Present",NA,NA
+"35103","Elvitegravir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Elvitegravir",NA,"CC(C)C(CO)N1C=C(C(=O)C2=C1C=C(C(=C2)CC3=C(C(=CC=C3)Cl)F)OC)C(=O)O","JUZYLCPPVHEVSV-IBGZPJMESA-N",44219916,NA,"PDBC35103","762523","Present",NA,NA
+"35104","Emamectin B1a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4''-epi-methylamino-4''-deoxyavermectin",NA,"CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C","CXEGAUYXQAKHKJ-NSBHKLITSA-N",11549937,NA,"PDBC35104","781687","Present",NA,NA
+"35105","Emate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685426",NA,"CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)N","RVKFQAJIXCZXQY-CBZIJGRNSA-N",127676,NA,"PDBC35105","685426","Present",NA,NA
+"35106","Emavusertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CA-4948",NA,"CC1=NC=CC(=C1)C2=NC(=CO2)C(=O)NC3=CC4=C(N=C3N5CCC(C5)O)N=C(O4)N6CCOCC6","SJHNWSAWWOAWJH-MRXNPFEDSA-N",118224491,NA,"PDBC35106","824184","Present",NA,NA
+"35107","Emetine, 2'-(N-carboxyglycyl)-, tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[1-[(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]carbamate",NA,"CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)CNC(=O)OC(C)(C)C)OC)OC)OC)OC","AVDIGXKFDNTSGD-UHFFFAOYSA-N",270653,NA,"PDBC35107","113238","Present",NA,NA
+"35108","Emetine, N-(1-carboxyprolyl)-, benzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Emetine, N-(1-carboxyprolyl)-, benzyl ester",NA,"CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)C6CCCN6C(=O)OCC7=CC=CC=C7)OC)OC)OC)OC","PLOQAOPTFMOLKS-UHFFFAOYSA-N",266123,NA,"PDBC35108","103248","Present",NA,NA
+"35109","Emetine, N-tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"emetine, n-(n-carboxy-l-tryptophyl)-, n-tert-butyl ester",NA,"CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)OC(C)(C)C)OC)OC)OC)OC","DUEWLUKXNJMYIL-UHFFFAOYSA-N",419025,NA,"PDBC35109","109350","Present",NA,NA
+"35110","Emodin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"emodin",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O","RHMXXJGYXNZAPX-UHFFFAOYSA-N",3220,NA,"PDBC35110","408120","Present",NA,NA
+"35111","Empesertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1161909",NA,"CC(C1=CC=C(C=C1)F)C(=O)NC2=CC=C(C=C2)C3=CN4C(=NC(=N4)NC5=C(C=C(C=C5)S(=O)(=O)C)OC)C=C3","NRJKIOCCERLIDG-GOSISDBHSA-N",71599640,NA,"PDBC35111","787025","Present",NA,NA
+"35112","Emtricitabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Emtricitabine",NA,"C1C(OC(S1)CO)N2C=C(C(=NC2=O)N)F","XQSPYNMVSIKCOC-NTSWFWBYSA-N",60877,NA,"PDBC35112","804863","Present",NA,NA
+"35113","Enamine_000554",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_000554",NA,"CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CC=C3","RCCZAXFZIZYXOQ-UHFFFAOYSA-N",391238,NA,"PDBC35113","690135","Present",NA,NA
+"35114","Enamine_001134",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_001134",NA,"CC1=NC(=C2C3=C(CCCC3)SC2=N1)OC","ANPXAXZITJWZFA-UHFFFAOYSA-N",386694,NA,"PDBC35114","679224","Present",NA,NA
+"35115","Enamine_001984",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_001984",NA,"CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3","NXQQGHWARSPUAH-UHFFFAOYSA-N",391234,NA,"PDBC35115","690131","Present",NA,NA
+"35116","Enamine_003580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_003580",NA,"CC1CN=C(S1)NC2=CC=CC=C2OC","OJTALSOHXZUQRZ-UHFFFAOYSA-N",383598,NA,"PDBC35116","672016","Present",NA,NA
+"35117","Enamine_003644",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_003644",NA,"CCOC(=O)NC1=C(C2=C(S1)CCCC2)C#N","YOBTVGBWVIVOSH-UHFFFAOYSA-N",386705,NA,"PDBC35117","679235","Present",NA,NA
+"35118","Enamine_005247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_005247",NA,"CCOC(=O)C1=CC=C(C=C1)N2C(=O)CC3=CC=CC=C3C2=O","WODLXPUSDXNVEF-UHFFFAOYSA-N",362861,NA,"PDBC35118","627267","Present",NA,NA
+"35119","Enantiomer of PF-4176340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768071",NA,"CCC1=CNC2=C1C(=NC=N2)N3CCC(C3)(CNC(=O)C4=C(C=C(C=C4)F)F)N","MOZRQQTUYAYCQT-HXUWFJFHSA-N",23725157,NA,"PDBC35119","768071","Present",NA,NA
+"35120","Enasidenib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enasidenib",NA,"CC(C)(CNC1=NC(=NC(=N1)C2=NC(=CC=C2)C(F)(F)F)NC3=CC(=NC=C3)C(F)(F)F)O","DYLUUSLLRIQKOE-UHFFFAOYSA-N",89683805,NA,"PDBC35120","788120","Present",NA,NA
+"35121","Encyclan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"encyclan",NA,"CC1=C(C2C(O1)N(C3=CC=CC=C3N2)C)C(=O)OC4CC5CCC4(C5(C)C)C","DZCIUYJBFWBQJD-UHFFFAOYSA-N",378680,NA,"PDBC35121","695643","Present",NA,NA
+"35122","Endalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3'-DIDEOXY-5-FLUOROCYTIDINE",NA,"C1CC(OC1CO)N2C=C(C(=NC2=O)N)F","QBEIABZPRBJOFU-UHFFFAOYSA-N",355450,NA,"PDBC35122","609067","Present",NA,NA
+"35123","Endo-4-Bicyclo(2.2.1)hept-5-en-2-yl-3-buten-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Endo-4-Bicyclo(2.2.1)hept-5-en-2-yl-3-buten-2-one",NA,"CC(=O)C=CC1CC2CC1C=C2","PJNSTJMFXBGTIM-RQOWECAXSA-N",5387116,NA,"PDBC35123","620527","Present",NA,NA
+"35124","Endoxifen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z-Endoxifen///e/z-endoxifen///z-endoxifen hydrochloride",NA,"CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3","MHJBZVSGOZTKRH-IZHYLOQSSA-N",10090750,NA,"PDBC35124","749798///777380///750393","Present",NA,NA
+"35125","Endoxifen, (E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"e-endoxifen",NA,"CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCNC)C3=CC=CC=C3","MHJBZVSGOZTKRH-OCOZRVBESA-N",3035980,NA,"PDBC35125","750182","Present",NA,NA
+"35126","Enhygrofungin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"scopofungin",NA,"CC1C=CC=CC(C(C(CC(CC(CC2CC(C(C(O2)(CC(CCCC(C(C(C(C(C(C=CC(C(C(=O)OC1C(C)CC(C)CCCC=CCCCN(C)C(=N)N)C)O)C)O)C)O)C)O)O)O)O)O)OC(=O)CC(=O)O)O)O)C)O","RSODTZFJSFMTPQ-NBURPXERSA-N",9963519,NA,"PDBC35126","107041","Present",NA,NA
+"35127","Enigmol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s,s,s-enigmol",NA,"CCCCCCCCCCCCCC(CC(C(C)N)O)O","CILLLUONWCSDCK-BZSNNMDCSA-N",11415391,NA,"PDBC35127","740932","Present",NA,NA
+"35128","Enmein-3-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ENMEIN-3-ACETATE",NA,"CC(=O)OC1CC2C3(COC(C3C1(C)C)O)C4CCC5CC4(C(=O)C5=C)C(=O)O2","MWJMINDXYBAFMN-CIRVQHMCSA-N",323628,NA,"PDBC35128","285658","Present",NA,NA
+"35129","Enopeptin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enopeptin A",NA,"CC1CC2C(=O)OCC(C(=O)N3CCCC3C(=O)N(C(C(=O)NC(C(=O)N2C1)C)C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C=CC=CC=CC=CC=CC(=O)NC5=C(CCC5=O)O","ODKIYTBYJKALOK-CBLZGNHYSA-N",5467636,NA,"PDBC35129","657143","Present",NA,NA
+"35130","Enopeptin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enopeptin B",NA,"CC1C(=O)N2CCCC2C(=O)OCC(C(=O)N3CCCC3C(=O)N(C(C(=O)N1)C)C)NC(=O)C(CC4=CC=CC=C4)NC(=O)C=CC=CC=CC=CC=CC(=O)NC5=C(CCC5=O)O","UAWJLNYXJARQTG-CFPYWZBLSA-N",5467637,NA,"PDBC35130","657144","Present",NA,NA
+"35131","Enpiroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+/-)-2R, 3S-Piperidin-2-yl{2-(trifluoromethyl)-6-[4-(tr...",NA,"C1CCNC(C1)C(C2=CC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O","OCVRKDMRZFCUEE-UHFFFAOYSA-N",328144,NA,"PDBC35131","305798","Present",NA,NA
+"35132","Ensartinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ensartinib",NA,"CC1CN(CC(N1)C)C(=O)C2=CC=C(C=C2)NC(=O)C3=NN=C(C(=C3)OC(C)C4=C(C=CC(=C4Cl)F)Cl)N","GLYMPHUVMRFTFV-QLFBSQMISA-N",56960363,NA,"PDBC35132","793150","Present",NA,NA
+"35133","Ent-12 beta,17-dihydroxy-16-ketobeyeran-19-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ent-12 beta,17-dihydroxy-16-ketobeyeran-19-oic acid",NA,"CC12CCCC(C1CCC34C2CC(C(C3)(C(=O)C4)CO)O)(C)C(=O)O","ZBYFDMJURKQXPY-NUZLEAHVSA-N",24206040,NA,"PDBC35133","737771","Present",NA,NA
+"35134","Ent-13,17-dihydroxy-kaur-15-en-19-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ent-13,17-dihydroxy-kaur-15-en-19-oic acid",NA,"CC12CCCC(C1CCC34C2CCC(C3)(C(=C4)CO)O)(C)C(=O)O","WRLUJPRCRXEDCU-HFQBERHNSA-N",24206041,NA,"PDBC35134","737772","Present",NA,NA
+"35135","Ent-13,17-trihydroxy-kauran-19-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ent-13,16alph,17-trihydroxy-kauran-19-oic acid",NA,"CC12CCCC(C1CCC34C2CCC(C3)(C(C4)(CO)O)O)(C)C(=O)O","BRULLYCOZJRREB-AGZGMGQRSA-N",45027908,NA,"PDBC35135","740056","Present",NA,NA
+"35136","Ent-17-hydroxy-16-ketobeyeran-19-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ent-17-hydroxy-16-ketobeyeran-19-oic acid",NA,"CC12CCCC(C1CCC34C2CCC(C3)(C(=O)C4)CO)(C)C(=O)O","AHYPILJMTQMLLD-PRHLUYCLSA-N",24206042,NA,"PDBC35136","737773","Present",NA,NA
+"35137","Ent-1b,17-dihydroxy-16-ketobeyeran-19-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ent-1b,17-dihydroxy-16-ketobeyeran-19-oic acid",NA,"CC1(CCC(C2(C1CCC34C2CCC(C3)(C(=O)C4)CO)C)O)C(=O)O","YOSYVBLVJBQEMG-NUZLEAHVSA-N",24206043,NA,"PDBC35137","737774","Present",NA,NA
+"35138","Ent-9,17-dihydroxy-16-ketobeyeran-19-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ent-9,17-dihydroxy-16-ketobeyeran-19-oic acid",NA,"CC1(CCCC2(C1CCC34C2(CCC(C3)(C(=O)C4)CO)O)C)C(=O)O","ZYHZNGUCLQZBOS-VGJWLYQPSA-N",45027905,NA,"PDBC35138","740053","Present",NA,NA
+"35139","Ent-9a,16,17-tetrahydroxykauran-19-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ent-9a,13,16,17- tetrahydroxykauran-19-oic acid",NA,"CC1(CCCC2(C1CCC34C2(CCC(C3)(C(C4)(CO)O)O)O)C)C(=O)O","XAHMWOYTXWHWKU-YSUSGPSWSA-N",54612717,NA,"PDBC35139","740055","Present",NA,NA
+"35140","Ent-9a,17-epoxy-kauran-19-oic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ent-9a,13-dihydroxy-16,17-epoxy-kauran-19-oic acid",NA,"CC1(CCCC2(C1CCC34C2(CCC(C3)(C5(C4)CO5)O)O)C)C(=O)O","YPCIKXMTKJCYQR-UPMSZIAASA-N",45027906,NA,"PDBC35140","740054","Present",NA,NA
+"35141","Entilin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Entilin A",NA,"CC1=CC(C2C3(C1(OC45C3OC6(CC4C(CC(C5)(O2)O)(C(O6)C7=COC=C7)C)C(C)C)O)O)(C)C","KZWNXTXHYLZATQ-KEEQMDQRSA-N",5469123,NA,"PDBC35141","683481","Present",NA,NA
+"35142","Entilin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Entilin B",NA,"CC1=CC(C2C3(C1(OC45C3OC6(CC4C(CC(C5)(O2)O)(C(O6)C7=COC=C7)C)C(C)C)O)OC(=O)C)(C)C","MQGQZGHRAMJAAF-GBYJIVAESA-N",5469124,NA,"PDBC35142","683482","Present",NA,NA
+"35143","Entrectinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Entrectinib",NA,NA,"Entrectinib///NMS-E628",NA,NA,NA,25141092,NA,"PDBC35143","800095///774769","Present",NA,NA
+"35144","Enviroxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enviroxime",NA,"CC(C)S(=O)(=O)N1C2=C(C=CC(=C2)C(=NO)C3=CC=CC=C3)N=C1N","IWKXBHQELWQLHF-CAPFRKAQSA-N",5748733,NA,"PDBC35144","346230","Present",NA,NA
+"35145","Epacadostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"INCB-024360",NA,"C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F","FBKMWOJEPMPVTQ-UHFFFAOYSA-N",135564890,NA,"PDBC35145","785497","Present",NA,NA
+"35146","Epertinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-222611",NA,"CC#CC(=NOCC1COCCN1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","IBCIAMOTBDGBJN-NRLRZRKLSA-N",46701811,NA,"PDBC35146","804521","Present",NA,NA
+"35147","EphB1-IN-10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801470",NA,"COC1=CC=CC(=C1)NC2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","KAPOOVWPVJRQQM-UHFFFAOYSA-N",154723884,NA,"PDBC35147","801470","Present",NA,NA
+"35148","Epi-dehydroabietic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"epi-dehydroabietic acid",NA,"CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)C(=O)O)C","NFWKVWVWBFBAOV-SXLOBPIMSA-N",1761729,NA,"PDBC35148","730999","Present",NA,NA
+"35149","Epi-okinonellin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epi-okinonellin B",NA,"CC1C(C(OC1=O)CC(=C)CCCC(=CC=CC(C)CCCC2=COC=C2)C)O","RJBUJQUSGFZAMF-BDUTYPNISA-N",5470432,NA,"PDBC35149","701650","Present",NA,NA
+"35150","Epiamastatin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epiamastatin hydrochloride",NA,"CC(C)CC(C(C(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)O)O)N.Cl","GBDUPCKQTDKNLS-TXUMRZAQSA-N",24203251,NA,"PDBC35150","727368","Present",NA,NA
+"35151","Epiaschantin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epiaschantin",NA,"COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC5=C(C=C4)OCO5","ONDWGDNAFRAXCN-HMRZPLOASA-N",374872,NA,"PDBC35151","653384","Present",NA,NA
+"35152","Epicorazine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epicorazine A",NA,"C1C2C(C(C=CC2=O)O)N3C14C(=O)N5C6C(CC5(C3=O)SS4)C(=O)C=CC6O","RCODXLGTKJXDNC-UHFFFAOYSA-N",155232,NA,"PDBC35152","287069","Present",NA,NA
+"35153","Epidoxoform",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epidoxoform",NA,"CC1C2C(CC(O1)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(=O)CO)O)N7CN(CO2)C8CC(OC(C8OC7)C)OC9CC(CC1=C9C(=C2C(=C1O)C(=O)C1=C(C2=O)C(=CC=C1)OC)O)(C(=O)CO)O","LNMUJUHEUYMBOT-BCNYZFJLSA-N",395188,NA,"PDBC35153","699491","Present",NA,NA
+"35154","Epigallocatechin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epigallocatechin",NA,"C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)O","XMOCLSLCDHWDHP-IUODEOHRSA-N",72277,NA,"PDBC35154","674039","Present",NA,NA
+"35155","Epipachysamine-E-5-en-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epipachysamine-E-5-en-4-one",NA,"CC(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4=O)NC(=O)C=C(C)C)C)C)NC","CLUQFEVBBPGSGA-BGHBZWCOSA-N",54612859,NA,"PDBC35155","748911","Present",NA,NA
+"35156","Episesartemin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EPISESARTEMIN A",NA,"COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC)OC","DHWUVPPRBIJJKS-MDOOXIRGSA-N",342739,NA,"PDBC35156","380472","Present",NA,NA
+"35157","Epothilon A and Epothilon B (4:1 mixture)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epothilon A and Epothilon B (4:1 mixture)",NA,"CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C.CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C)C","DQKQNUZTSQSGPV-JJJQTZHHSA-N",54608765,NA,"PDBC35157","670547","Present",NA,NA
+"35158","Epoxy-chiromodine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epoxy-chiromodine",NA,"CC12CCC(C(C1CCC3C2(O3)C)(C)CC(=O)C4=COC=C4)C(=O)OC","DCCBVOUCNYLYEK-VTHJUZLRSA-N",6712084,NA,"PDBC35158","655737","Present",NA,NA
+"35159","Epoxyazadiradione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epoxyazadiradione",NA,"CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)C(C5(CC3)C)C6=COC=C6)C)C)(C)C","NEYCGDYQBQONFC-UPSRQKFMSA-N",6711768,NA,"PDBC35159","640467","Present",NA,NA
+"35160","Epoxydon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"epoxydon",NA,"C1=C(C(=O)C2C(C1O)O2)CO","VTLJDPHPVHSVGR-QXRNQMCJSA-N",72629,NA,"PDBC35160","93049","Present",NA,NA
+"35161","Epoxyeunicin-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epoxyeunicin-1",NA,"CC1CCCC2(C(O2)CCC(C3CC4C(C1O3)OC(=O)C4=C)(C)O)C","LSAXPYWLQSDPDY-DBMMBSAXSA-N",6712371,NA,"PDBC35161","678002","Present",NA,NA
+"35162","Epoxypiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"epoxypiperazine",NA,"C1CN(CCN1CC2CO2)CC3CO3","XNWUTCRFGMBUOP-UHFFFAOYSA-N",98074,NA,"PDBC35162","74437","Present",NA,NA
+"35163","Epoxypiperolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epoxypiperolide",NA,"COC1=CC(=O)OC1=C(C2C(O2)C3=CC=CC=C3)OC","RTNGMIUMJUOABT-YPKPFQOOSA-N",3003852,NA,"PDBC35163","146360","Present",NA,NA
+"35164","Erbium;6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Erbium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-...",NA,"CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Er]","ZPORHVZNIJVNGC-UHFFFAOYSA-N",425551,NA,"PDBC35164","174894","Present",NA,NA
+"35165","Erbstatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ERBSTATIN",NA,"C1=CC(=C(C=C1O)C=CNC=O)O","SIHZWGODIRRSRA-ONEGZZNKSA-N",5328552,NA,"PDBC35165","610187","Present",NA,NA
+"35166","Eremanthin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eremanthin",NA,"CC1=CCC2C(C3C1CCC3=C)OC(=O)C2=C","BWRZDLYJNURUHS-XUXIUFHCSA-N",100572,NA,"PDBC35166","321215","Present",NA,NA
+"35167","Eremantholide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eremantholide B",NA,"CCC(C)C1(C2(C3C(O1)CC4(C(=O)C=C(O4)C(=CC3OC2=O)C)C)C)O","ABLNQMKQYJQVRR-YFHOEESVSA-N",5478094,NA,"PDBC35167","380721","Present",NA,NA
+"35168","Eremantholide C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eremantholide C",NA,"CC1=CC2C3C(CC4(C(=O)C=C1O4)C)OC(C3(C(=O)O2)C)(C(=C)C)O","YEIAHHGCPUIGOQ-UEUWLQARSA-N",5468332,NA,"PDBC35168","669146","Present",NA,NA
+"35169","Ergocornin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ergocornin",NA,"CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O","UJYGDMFEEDNVBF-UHFFFAOYSA-N",3067,NA,"PDBC35169","407316","Present",NA,NA
+"35170","Ergocristine, dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ERGOCRISTINE, DIHYDRO-",NA,"CC(C)C1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C","DEQITUUQPICUMR-UHFFFAOYSA-N",3065,NA,"PDBC35170","409663","Present",NA,NA
+"35171","Ergosterol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ergosterol",NA,"CC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2=CC=C4C3(CCC(C4)O)C)C","DNVPQKQSNYMLRS-FPLPWBNLSA-N",5351178,NA,"PDBC35171","62791","Present",NA,NA
+"35172","Ergotamin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ergotamin",NA,"CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C","XCGSFFUVFURLIX-UHFFFAOYSA-N",3251,NA,"PDBC35172","95090","Present",NA,NA
+"35173","Eribulin mesilate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eribulin mesilate",NA,"CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O.CS(=O)(=O)O","QAMYWGZHLCQOOJ-YALCGNLISA-N",54611489,NA,"PDBC35173","707389","Present",NA,NA
+"35174","Erie Fast Blue RL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Erie Fast Blue RL",NA,"C1=CC=C2C(=C1)C(=CC=C2N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=CC6=C(C=C(C=C6C=C5S(=O)(=O)O)N)O)S(=O)(=O)O)N=NC7=CC8=C(C=C(C=C8C=C7)S(=O)(=O)O)S(=O)(=O)O.[Na+]","HDSBLCHSGNZXRB-UHFFFAOYSA-N",135534293,NA,"PDBC35174","71234","Present",NA,NA
+"35175","Erie Yellow S5GP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Erie Yellow S5GP",NA,"C1=CC(=C(C=C1N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)[N+](=O)[O-])S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O.[Na+]","BUOLIQAIYDAVCX-HZEKIOHSSA-N",54598501,NA,"PDBC35175","33668","Present",NA,NA
+"35176","Eriocalyxin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eriocalyxin B",NA,"CC1(C=CC(=O)C23C1C(C(C45C2CCC(C4)C(=C)C5=O)(OC3)O)O)C","RTIKCEKESDRWAE-OADCIBGSSA-N",367620,NA,"PDBC35176","637462","Present",NA,NA
+"35177","Eriodictyol tetraacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eriodictyol tetraacetate",NA,"CC(=O)OC1=C(C=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)OC(=O)C","ZDLMCGHYUROZBQ-UHFFFAOYSA-N",369614,NA,"PDBC35177","641525","Present",NA,NA
+"35178","Eriodyctiol (flavanone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eriodyctiol (flavanone)",NA,"C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O","SBHXYTNGIZCORC-CYBMUJFWSA-N",373261,NA,"PDBC35178","649412","Present",NA,NA
+"35179","Eriofertin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eriofertin",NA,"CC=C(C)C(=O)OC1CC(=CC(CC(=CC2C1C(=C)C(=O)O2)C)O)CO","LMMIAIJOVZTZBV-MRQAVUBBSA-N",5926441,NA,"PDBC35179","283440","Present",NA,NA
+"35180","Eriofertopin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eriofertopin",NA,"CC1=CC2C(C(CC(=CC(C1)O)CO)OC(=O)C(=C)C)C(=C)C(=O)O2","PFYGZFNFCAIMPK-NBPRNCBBSA-N",5916520,NA,"PDBC35180","283439","Present",NA,NA
+"35181","Erioflorin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Erioflorin",NA,"CC1=CC2C(C(CC3(C(O3)CC1O)C)OC(=O)C(=C)C)C(=C)C(=O)O2","BUIOBTSUIYLOKG-VKGAXADOSA-N",5382553,NA,"PDBC35181","144151","Present",NA,NA
+"35182","Eriolangin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eriolangin",NA,"CC=C(C)C(=O)OC1C2C(CC(=C1C(C)CCCO)CO)OC(=O)C2=C","FCDRLRIIZKINNV-WLHXTXINSA-N",5281445,NA,"PDBC35182","182855","Present",NA,NA
+"35183","Eriostemoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eriostemoic acid",NA,"CC1(C=CC2=C3C(=C(C(=C2O1)CCC(=O)O)OC)C=CC(O3)(C)C)C","KSLHMLXPQDTMJX-UHFFFAOYSA-N",256519,NA,"PDBC35183","83436","Present",NA,NA
+"35184","Erk-IN-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASN-007",NA,"CC1=CN=C(N=C1N2C=C(N=C2)C(=O)NC(CN)C3=CC(=CC(=C3)Cl)F)NC4CCOCC4","PWHIUQBBGPGFFV-GOSISDBHSA-N",124122366,NA,"PDBC35184","828319","Present",NA,NA
+"35185","Ermanin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4'-dimethoxychrysin",NA,"COC1=CC=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC","RJCJVIFSIXKSAH-UHFFFAOYSA-N",5352001,NA,"PDBC35185","31882","Present",NA,NA
+"35186","Erucic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"erucic acid",NA,"CCCCCCCCC=CCCCCCCCCCCCC(=O)O","DPUOLQHDNGRHBS-KTKRTIGZSA-N",5281116,NA,"PDBC35186","6814","Present",NA,NA
+"35187","Erybraedin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Erybraedin A",NA,"CC(=CCC1=C(C=CC2=C1OC3C2COC4=C3C=CC(=C4CC=C(C)C)O)O)C","HOGHBEDTLGAJAS-UHFFFAOYSA-N",362562,NA,"PDBC35187","626645","Present",NA,NA
+"35188","Erythritol aziridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"erythritol aziridine",NA,"C1CN1CC(C(CN2CC2)O)O","COMAQBNTHGBLNQ-OCAPTIKFSA-N",234991,NA,"PDBC35188","35915","Present",NA,NA
+"35189","Erythrolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Erythrolide A",NA,"CC1C(=O)OC2C1(C(C3C4(C(C4C(=O)C3(C)OC(=O)C)C=CC(C(=C)C2Cl)OC(=O)C)C)OC(=O)C)O","JXKSDXDFYWNQBA-FSVOHVGESA-N",6712592,NA,"PDBC35189","699118","Present",NA,NA
+"35190","Erythrosin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iodeosin",NA,"C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)O)I)I)O)I","OALHHIHQOFIMEF-UHFFFAOYSA-N",3259,NA,"PDBC35190","328781","Present",NA,NA
+"35191","Esflurbiprofen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Flurbiprofen",NA,"CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O","SYTBZMRGLBWNTM-JTQLQIEISA-N",72099,NA,"PDBC35191","685700","Present",NA,NA
+"35192","Estra-1,4-diene-3,17-dione, 10-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10.beta.-Hydroxyestra-1,3-dien-3,17-dione",NA,"CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34O","RVUDOXUDSXVAEV-FTAMUGHTSA-N",395704,NA,"PDBC35192","700499","Present",NA,NA
+"35193","Estradiol-17-phenylpropionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS956OGN6U",NA,"CC12CCC3C(C1CCC2OC(=O)CCC4=CC=CC=C4)CCC5=C3C=CC(=C5)O","LQWSQQKTZLDGME-RYIFMDQWSA-N",68577,NA,"PDBC35193","26645","Present",NA,NA
+"35194","Esulatin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Esulatin A",NA,"CC1C2C(O2)C(C(C(C(C(=C)C(C3C(C(CC3(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C(C)C)OC(=O)C)OC(=O)C)(C)C","QLMXVPKQTUZUIB-WXRBLWNSSA-N",6712418,NA,"PDBC35194","682342","Present",NA,NA
+"35195","Et ester prodigisoene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Et ester prodigisoene",NA,"CCOC1=C(NC(=C1)C2=CC=CN2)C=C3C(=C(C(=N3)C)C(=O)OC)C","JYBJHILCJYZCGV-ZROIWOOFSA-N",155805076,NA,"PDBC35195","755117","Present",NA,NA
+"35196","Etamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"etamycin",NA,"CC1C(C(=O)NC(C(=O)N2CC(CC2C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)O1)C3=CC=CC=C3)C)C)C(C)C(C)C)C)C)O)CC(C)C)NC(=O)C4=C(C=CC=N4)O","SATIISJKSAELDC-UHFFFAOYSA-N",417256,NA,"PDBC35196","88468","Present",NA,NA
+"35197","Etazolate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"etazolate hydrochloride(usan)",NA,"CCN1C2=NC=C(C(=C2C=N1)NN=C(C)C)C(=O)OCC.Cl","GQJUGJHJUZSJLZ-UHFFFAOYSA-N",37274,NA,"PDBC35197","163611","Present",NA,NA
+"35198","Etc-159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ETC-159",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NC3=NN=C(C=C3)C4=CC=CC=C4","QTRXIFVSTWXRJJ-UHFFFAOYSA-N",86280523,NA,"PDBC35198","809251","Present",NA,NA
+"35199","Ethacizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethacizin",NA,"CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC","PQXGNJKJMFUPPM-UHFFFAOYSA-N",107841,NA,"PDBC35199","621878","Present",NA,NA
+"35200","Ethacridine lactate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"akron///ETHACRIDINE LACTATE",NA,"CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O","IYLLULUTZPKQBW-UHFFFAOYSA-N",15789,NA,"PDBC35200","36333///758932","Present",NA,NA
+"35201","Ethallobarbital",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aethallymal",NA,"CCC1(C(=O)NC(=O)NC1=O)CC=C","QPADNTZLUBYNEN-UHFFFAOYSA-N",48542,NA,"PDBC35201","32312","Present",NA,NA
+"35202","Ethamoxytriphetol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethamoxytriphetol",NA,"CCN(CC)CCOC1=CC=C(C=C1)C(CC2=CC=C(C=C2)OC)(C3=CC=CC=C3)O","KDYQVUUCWUPJGE-UHFFFAOYSA-N",6222,NA,"PDBC35202","19857","Present",NA,NA
+"35203","Ethanamine, N,N-diethyl-2-[(7-nitro-1H-benzimidazol-2-yl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanamine, N,N-diethyl-2-[(7-nitro-1H-benzimidazol-2-yl)thio]-",NA,"CCN(CC)CCSC1=NC2=C(N1)C=CC=C2[N+](=O)[O-]","VWERVDKGXBMDRV-UHFFFAOYSA-N",364068,NA,"PDBC35203","629707","Present",NA,NA
+"35204","Ethanamine,4-dichlorophenyl)cyclohexyl] methoxy]ethoxy]-N,N-diethyl-with 1,2,3-propanetricarboxylic acid, 2-hydroxy-(citric acid)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanamine, 2-[2-[[1-(3,4-dichlorophenyl)cyclohexyl] met...",NA,"CCN(CC)CCOCCOCC1(CCCCC1)C2=CC(=C(C=C2)Cl)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","CNHDWRSRGZTBII-UHFFFAOYSA-N",398119,NA,"PDBC35204","707486","Present",NA,NA
+"35205","Ethane-1,2-diamine;2-morpholin-4-ylacetate;platinum(4+);hydroxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethane-1,2-diamine;2-morpholin-4-ylacetate;platinum(4+);hydroxide",NA,"C1COCCN1CC(=O)[O-].C(CN)N.[OH-].[Pt+4]","QMICHRDRYXHOMQ-UHFFFAOYSA-L",24202556,NA,"PDBC35205","688514","Present",NA,NA
+"35206","Ethane-1,2-diylbis(phenylphosphinic acid)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethane-1,2-diylbis(phenylphosphinic acid)",NA,"C1=CC=C(C=C1)P(=O)(CCP(=O)(C2=CC=CC=C2)O)O","FYLYSEXHKNLCOF-UHFFFAOYSA-N",348520,NA,"PDBC35206","407882","Present",NA,NA
+"35207","Ethane;pentane-2,4-dione;thallium(3+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644932",NA,"C[CH2-].C[CH2-].CC(=O)[CH-]C(=O)C.[Tl+3]","GFBJTRZVTGVKND-UHFFFAOYSA-N",371040,NA,"PDBC35207","644932","Present",NA,NA
+"35208","Ethanediamide, N1-[4-chloro-2-(trifluoromethyl)phenyl]-N2-(2-mercapto-4-oxo-3(4H)-quinazolinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanediamide, N1-[4-chloro-2-(trifluoromethyl)phenyl]-N2-(2-mercapto-4-oxo-3(4H)-quinazolinyl)-",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)Cl)C(F)(F)F","JYUCHGILZFOTDM-UHFFFAOYSA-N",3003533,NA,"PDBC35208","648618","Present",NA,NA
+"35209","Ethanedioic acid der.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanedioic acid, dihydrazide, [2-(4-chlorophenyl)-2-cya...",NA,"C1=CC(=CC=C1C(C#N)C(=NNC(=O)C(=O)NN)C(=O)NC2=NC(=CS2)[N+](=O)[O-])Cl","XDEORQNYMMPXRQ-JJFYIABZSA-N",6386560,NA,"PDBC35209","632015","Present",NA,NA
+"35210","Ethanedioic acid, 2-acetyl-1,2,3,4-tetrahydro-1,4-diphenyl-1,4-epoxynaphthalen-2-yl methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanedioic acid, 2-acetyl-1,2,3,4-tetrahydro-1,4-diphenyl-1,4-epoxynaphthalen-2-yl methyl ester",NA,"CC(=O)C1(CC2(C3=CC=CC=C3C1(O2)C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C(=O)OC","BUCYCYBQXGGILI-UHFFFAOYSA-N",363100,NA,"PDBC35210","627670","Present",NA,NA
+"35211","Ethanedione, di-3-pyridinyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-Pyridil",NA,"C1=CC(=CN=C1)C(=O)C(=O)C2=CN=CC=C2","WKQMLIVNOYGANQ-UHFFFAOYSA-N",260384,NA,"PDBC35211","91516","Present",NA,NA
+"35212","Ethanesulfon-m-anisidide,5-dimethyl-9-acridinyl)-, monomethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfon-m-anisidide, 4'-(4,5-dimethyl-9-acridinyl)-...",NA,"CCS(=O)(=O)NC1=CC=CC(=C1OC)NC2=C3C=CC=C(C3=NC4=C(C=CC=C42)C)C.CS(=O)(=O)O","RFBLEYQVKVJCJV-UHFFFAOYSA-N",423984,NA,"PDBC35212","159862","Present",NA,NA
+"35213","Ethanesulfonic acid, compd. with 2-(2-chloro-4-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenoxy)acetanilide (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 2-(2-chloro-4-(4,6-diam...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC(=O)NC3=CC=CC=C3)Cl)N)N)C","DXYCOKAYFVIPKM-UHFFFAOYSA-N",280518,NA,"PDBC35213","132275","Present",NA,NA
+"35214","Ethanesulfonic acid, compd. with 2-[m-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)phenyl]acetanilide (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 2-[m-(4,6-diamino-2,2-d...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CC(=O)NC3=CC=CC=C3)N)N)C","TVJRMLVXDDEHRJ-UHFFFAOYSA-N",283277,NA,"PDBC35214","137765","Present",NA,NA
+"35215","Ethanesulfonic acid, compd. with 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzonitrile (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzonitrile, 3-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)C#N)N)N)C","BEXADWZFDUORTG-UHFFFAOYSA-N",271920,NA,"PDBC35215","115928","Present",NA,NA
+"35216","Ethanesulfonic acid,6-diamino-1,2-dihydro-2,2-dimethyl-1-[p-(4-phenylbutyl)phenyl]-s-triazine (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 1,6-dihydro-6,6-dimethy...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=CC(=C2)CCCCC3=CC=CC=C3)N)N)C","YNOYRPQXODTDCZ-UHFFFAOYSA-N",54606350,NA,"PDBC35216","132277","Present",NA,NA
+"35217","Ethanesulfonic acid,6-diamino-1-[3-chloro-4-(3-phenoxypropoxy)phenyl]-1,2-dihydro-2,2-dimethyl-s-triazine (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 1-[3-chloro-4-(3-phenox...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCCCOC3=CC=CC=C3)Cl)N)N)C","FRSSRWCJBPVFBD-UHFFFAOYSA-N",280859,NA,"PDBC35217","133071","Present",NA,NA
+"35218","Ethanesulfonic acid,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)-m-hydrocinnamotoluidide (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanesulfonic acid, compd. with 4-(4,6-diamino-2,2-dime...",NA,"CCS(=O)(=O)O.CC1=CC(=CC=C1)NC(=O)CCC2=CC=C(C=C2)N3C(=NC(=NC3(C)C)N)N","YRTICFNDRFHBGX-UHFFFAOYSA-N",280861,NA,"PDBC35218","133072","Present",NA,NA
+"35219","Ethanesulfonic acid-4-({3-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]propanoyl}amino)benzenesulfonyl fluoride(1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonyl fluoride, 4-[[3-[4-(4,6-diamino-2,2-dime...",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC(=O)NC3=CC=C(C=C3)S(=O)(=O)F)N)N)C","KNAMCNUIADWWBO-UHFFFAOYSA-N",270635,NA,"PDBC35219","113220","Present",NA,NA
+"35220","Ethanesulfonic acid-4-{6-[4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2h)-yl)phenyl]hexyl}benzenesulfonyl fluoride(1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[6-[4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1-yl)phenyl]hexyl]benzenesulfonyl fluoride;ethanesulfonic acid",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC=C(C=C2)CCCCCCC3=CC=C(C=C3)S(=O)(=O)F)N)N)C","BXJIWPORCRDALH-UHFFFAOYSA-N",280526,NA,"PDBC35220","132279","Present",NA,NA
+"35221","Ethanethiol, 2-(5-cyclohexylpentyl)amino-, hydrogen sulfate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiosulfuric acid (H2S2O3), -[2-[(5-cyclohexylpentyl)ami...",NA,"C1CCC(CC1)CCCCCNCCSS(=O)(=O)O","DKHIPBODAIIIGZ-UHFFFAOYSA-N",96765,NA,"PDBC35221","89074","Present",NA,NA
+"35222","Ethanethiol, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WR-1065",NA,"C(CN)CNCCS.Cl","RRMZODVUMRSYGQ-UHFFFAOYSA-N",54600690,NA,"PDBC35222","345308","Present",NA,NA
+"35223","Ethanimidamide,7)]dec-1-ylmethyl-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanimidamide, 2-chloro-N-(tricyclo[3.3.1.1(3,7)]dec-1-...",NA,"C1C2CC3CC1CC(C2)(C3)CN=C(CCl)N.Cl","FHUZLMPCRVNWFE-UHFFFAOYSA-N",12470660,NA,"PDBC35223","187546","Present",NA,NA
+"35224","Ethanimidoyl chloride, N-[[[(4-nitrophenyl)amino]carbonyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanimidoyl chloride, N-[[[(4-nitrophenyl)amino]carbony...",NA,"CC(=NOC(=O)NC1=CC=C(C=C1)[N+](=O)[O-])Cl","FUBOKEYHEDZUPI-WUXMJOGZSA-N",5466018,NA,"PDBC35224","672043","Present",NA,NA
+"35225","Ethanol, 2,2',2'',2'''-(2,6-pyridinediyldinitrilo)tetrakis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[6-[Bis(2-hydroxyethyl)amino]-2-pyridyl]-(2-hydroxyethyl)amino]ethanol",NA,"C1=CC(=NC(=C1)N(CCO)CCO)N(CCO)CCO","MZOYUBRWRURLGQ-UHFFFAOYSA-N",361757,NA,"PDBC35225","625023","Present",NA,NA
+"35226","Ethanol, 2-(4-[2,2':6',2''-terpyridin]-4'-ylphenoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[4-(2,2':6',2""""""""""""""""-terpyridin-4'-yl)phenoxy]-",NA,"C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)OCCO","ITTHDGHSDFMYOE-UHFFFAOYSA-N",368990,NA,"PDBC35226","640499","Present",NA,NA
+"35227","Ethanol, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)-, 4-nitrobenzoate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl 4-nitrobenzoate",NA,"C1=CC=C2C(=C1)C=CC3=CC=CC=C3C2=NCCOC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","IKVOFYHGMOYWBB-UHFFFAOYSA-N",382527,NA,"PDBC35227","670136","Present",NA,NA
+"35228","Ethanol, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)-, benzoate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCCN=C2C3=CC=CC=C3C=CC4=CC=CC=C42","YANJNZAJRMMXON-UHFFFAOYSA-N",382526,NA,"PDBC35228","670135","Present",NA,NA
+"35229","Ethanol, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)-, phenylcarbamate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylideneamino)ethyl N-phenylcarbamate",NA,"C1=CC=C(C=C1)NC(=O)OCCN=C2C3=CC=CC=C3C=CC4=CC=CC=C42","SOTOUCNBUATWGT-UHFFFAOYSA-N",382520,NA,"PDBC35229","670129","Present",NA,NA
+"35230","Ethanol, 2-[(10,11-dibromo-10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]-, phenylcarbamate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino]ethyl N-phenylcarbamate",NA,"C1=CC=C(C=C1)NC(=O)OCCN=C2C3=CC=CC=C3C(C(C4=CC=CC=C42)Br)Br","RCAMYZDOHPSKDC-UHFFFAOYSA-N",382523,NA,"PDBC35230","670132","Present",NA,NA
+"35231","Ethanol, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]-, benzoate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl benzoate",NA,"C1CC2=CC=CC=C2C(=NCCOC(=O)C3=CC=CC=C3)C4=CC=CC=C41","MOEQFLOBVBFJHH-UHFFFAOYSA-N",382524,NA,"PDBC35231","670133","Present",NA,NA
+"35232","Ethanol, 2-[(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidene)amino]-, phenylcarbamate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylideneamino)ethyl N-phenylcarbamate",NA,"C1CC2=CC=CC=C2C(=NCCOC(=O)NC3=CC=CC=C3)C4=CC=CC=C41","BNKRAYJCOSIRNW-UHFFFAOYSA-N",382517,NA,"PDBC35232","670126","Present",NA,NA
+"35233","Ethanol, 2-[[2-[(2',3'-dihydro-2'-iminospiro[1,3-dioxolane-2,6'-[6H]purin]-9'(1'H)-yl)methoxy]-3-[(4-methylphenyl)thio]propyl]thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[(2'-Aminospiro[1,3-dioxolane-2,6'-3H-purine]-9'-yl)methoxy]-3-(4-methylphenyl)sulfanylpropyl]sulfanylethanol",NA,"CC1=CC=C(C=C1)SCC(CSCCO)OCN2C=NC3=C2NC(=NC34OCCO4)N","YYYNSRJDBKYOOT-UHFFFAOYSA-N",382812,NA,"PDBC35233","670540","Present",NA,NA
+"35234","Ethanol, 2-[methyl[1-methyl-2-(10H-phenothiazin-1-yl)ethyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[methyl[1-methyl-2-(10H-phenothiazin-1-yl)ethyl]amino]-",NA,"CC(CC1=C2C(=CC=C1)SC3=CC=CC=C3N2)N(C)CCO","YVMXOTFHWXEJKP-UHFFFAOYSA-N",377565,NA,"PDBC35234","659129","Present",NA,NA
+"35235","Ethanol, trihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[[2-[4-[3-[2-(trifluoromethyl]-10H-phenothiaz...",NA,"C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCNCCO.Cl","YDCIMHVTVQOUKP-UHFFFAOYSA-N",54598319,NA,"PDBC35235","169676","Present",NA,NA
+"35236","Ethanol,2'-[[3-methyl-4-[[[4-(2-methyl-4-thiazolyl)phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester), monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2,2'-[[3-methyl-4-[[[4-(2-methyl-4-thiazolyl)ph...",NA,"CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=CSC(=N3)C.Cl","VDURMSXGWSWXFG-UHFFFAOYSA-N",24194270,NA,"PDBC35236","166237","Present",NA,NA
+"35237","Ethanol,2'-[[3-methyl-4-[[[4-[2-(4-propoxyphenyl]-4-thiazolyl]phenyl]imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2,2'-[[3-methyl-4-[[[4-[2-(4-propoxyphenyl]-4-t...",NA,"CCCOC1=CC=C(C=C1)C2=NC(=CS2)C3=CC=C(C=C3)N=CC4=C(C=C(C=C4)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C","NBULMAMEEBHKSZ-UHFFFAOYSA-N",323079,NA,"PDBC35237","281818","Present",NA,NA
+"35238","Ethanol,2'-[[4-[[(3-chlorophenyl)imino]methyl]phenyl]imino]bis-, dimethanesulfonate (ester), monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2,2'-[[4-[[(3-chlorophenyl)imino]methyl]phenyl]...",NA,"CS(=O)(=O)OCCN(CCOS(=O)(=O)C)C1=CC=C(C=C1)C=NC2=CC(=CC=C2)Cl.Cl","KFQGOULRNSNHQS-UHFFFAOYSA-N",24194260,NA,"PDBC35238","166224","Present",NA,NA
+"35239","Ethanol,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2,2'-[[4-[[[3-chloro-4-(2-phenyl-4-thiazolyl)ph...",NA,"CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC(=C(C=C2)C3=CSC(=N3)C4=CC=CC=C4)Cl","NKYUHUFTMFORQF-UHFFFAOYSA-N",322932,NA,"PDBC35239","281613","Present",NA,NA
+"35240","Ethanol,2'-[[4-[[[4-[2-(4-bromophenyl)-4-thiazolyl]phenyl]imino]methyl]-3-methylphenyl]imino]bis-, dimethanesulfonate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2,2'-[[4-[[[4-[2-(4-bromophenyl)-4-thiazolyl]ph...",NA,"CC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C=NC2=CC=C(C=C2)C3=CSC(=N3)C4=CC=C(C=C4)Br","KBRGCCAKPJPXER-UHFFFAOYSA-N",323078,NA,"PDBC35240","281817","Present",NA,NA
+"35241","Ethanol,3,4-trichloro-2-nitro-1,3-butadien-1-yl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[(4-bromo-1,3,4-trichloro-2-nitro- 1,3-butadi...",NA,"C(CO)NC(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])Cl","OKDDJUDWZYVTDG-CIIODKQPSA-N",54608784,NA,"PDBC35241","678034","Present",NA,NA
+"35242","Ethanol,4-quinazolinediamine (1:2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, compd. with 6-(2-naphthalenylthio)-2,4-quinazol...",NA,"CCO.C1=CC=C2C=C(C=CC2=C1)SC3=CC4=C(C=C3)N=C(N=C4N)N","KEFLIPWUXAASFO-UHFFFAOYSA-N",16682542,NA,"PDBC35242","305780","Present",NA,NA
+"35243","Ethanol,8,12-trimethyl-3,7,11-tridecatrienyl)(methyl)amino]-, (E,E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanol, 2-[(4,8,12-trimethyl-3,7,11-tridecatrienyl)(met...",NA,"CC(=CCCC(=CCCC(=CCCN(C)CCO)C)C)C","KRCONAOEGXJNMF-NWLVNBMCSA-N",5470377,NA,"PDBC35243","700514","Present",NA,NA
+"35244","Ethanolamino isosampangine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-hydroxyethylamino)[?]one",NA,"C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)NCCO","KPUHYSXFTFZNEN-UHFFFAOYSA-N",46854494,NA,"PDBC35244","723393","Present",NA,NA
+"35245","Ethanolic extract from pancratium maritimum L. bulbs",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanolic extract from pancratium maritimum L. bulbs",NA,NA,NA,NA,NA,"PDBC35245","654498","Present",NA,NA
+"35246","Ethanone, 1,1'-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]indene]-4,4'-diyl)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1,1'-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]indene]-4,4'-diyl)bis-",NA,"CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCCC6=C5)C(=O)C","DDMIKPVJXHNTNU-UHFFFAOYSA-N",382751,NA,"PDBC35246","670429","Present",NA,NA
+"35247","Ethanone, 1,1'-(3,3',5,5',6,6',7,7'-octahydro-2,2'(1H,1'H)-spirobi[s-indacene]-4,4'-diyl)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1,1'-(3,3',5,5',6,6',7,7'-octahydro-2,2'(1H,1'H)-spirobi[s-indacene]-4,4'-diyl)bis-",NA,"CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C(=C6CCCC6=C5)C(=O)C","HKQNTYQEGLHKLM-UHFFFAOYSA-N",365581,NA,"PDBC35247","633380","Present",NA,NA
+"35248","Ethanone, 1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1-(1,1',3,3',5,5',6,6',7,7',8,8'-dodecahydro-2,2'-spirobi[2H-benz[f]inden]-4-yl)-",NA,"CC(=O)C1=C2CCCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCCC6=C5","LAKZBSIRIVSSBG-UHFFFAOYSA-N",382748,NA,"PDBC35248","670426","Present",NA,NA
+"35249","Ethanone, 1-(1-acetylcyclopropyl)-2-diazo-2-(phenylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1-(1-acetylcyclopropyl)-2-diazo-2-(phenylsulfonyl)-",NA,"CC(=O)C1(CC1)C(=O)C(=[N+]=[N-])S(=O)(=O)C2=CC=CC=C2","MFYLMUGCXROFCS-UHFFFAOYSA-N",373295,NA,"PDBC35249","649447","Present",NA,NA
+"35250","Ethanone, 1-(3,3',5,5',6,6',7,7'-octahydro-2,2'(1H,1'H)-spirobi[s-indacen]-4-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(6,6'-Spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-yl)ethanone",NA,"CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCC6=C5","AEGHODTXQFEWBM-UHFFFAOYSA-N",382764,NA,"PDBC35250","670442","Present",NA,NA
+"35251","Ethanone, 1-(3,6,7-trimethyl-1,4-dioxido-2-quinoxalinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1-(3,6,7-trimethyl-1,4-dioxido-2-quinoxalinyl)-",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C","GPLMTFAZFDEAQA-UHFFFAOYSA-N",359869,NA,"PDBC35251","621484","Present",NA,NA
+"35252","Ethanone, 1-(7,8,9,10-tetrachloro-6b,7,10,10a-tetrahydro-11,11-dimethoxy-7,10-methanofluoranthen-3-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(11,12,13,14-Tetrachloro-17,17-dimethoxy-4-pentacyclo[7.6.1.111,14.05,16.010,15]heptadeca-1(16),2,4,6,8,12-hexaenyl)ethanone",NA,"CC(=O)C1=C2C=CC=C3C2=C(C=C1)C4C3C5(C(=C(C4(C5(OC)OC)Cl)Cl)Cl)Cl","IXHXXNHKPPJQPF-UHFFFAOYSA-N",363066,NA,"PDBC35252","627618","Present",NA,NA
+"35253","Ethanone, 1-[3-[[4-(4-methoxyphenyl)-1-piperazinyl]methyl]-1,4-dioxido-2-quinoxalinyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-3-methylquinoxalin-2-yl-[N-(4-methoxy)phe...",NA,"CC(=O)C1=C(N(C2=CC=CC=C2[N+]1=O)[O-])CN3CCN(CC3)C4=CC=C(C=C4)OC","HNIZCIMXGKUFOT-UHFFFAOYSA-N",405221,NA,"PDBC35253","722287","Present",NA,NA
+"35254","Ethanone, 2-(3,4-dichloro-2,5-dihydro-5-hydroxy-2-furanyl)-1-(3-pyridinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 2-(3,4-dichloro-2,5-dihydro-5-hydroxy-2-furanyl)-1-(3-pyridinyl)-",NA,"C1=CC(=CN=C1)C(=O)CC2C(=C(C(O2)O)Cl)Cl","QMESPANNZLBEPE-UHFFFAOYSA-N",366925,NA,"PDBC35254","636089","Present",NA,NA
+"35255","Ethanone, 2-hydroxy-2-methoxy-1-(3,3',5,5',6,6',7,7'-octahydro-2,2'(1H,1'H)-spirobi[s-indacen]-4-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Hydroxy-2-methoxy-1-(6,6'-spirobi[2,3,5,7-tetrahydro-1H-s-indacene]-4'-yl)ethanone",NA,"COC(C(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4)C=C6CCCC6=C5)O","AMXULNXMTQRAEW-UHFFFAOYSA-N",382766,NA,"PDBC35255","670444","Present",NA,NA
+"35256","Ethanone,6-dihydro-9-methyl-7H-benzo[h]thiazolo[2,3-b]quinazolin-10-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1-[7-(4-chlorophenyl)-5,6-dihydro-9-methyl- 7H...",NA,"CC1=C(SC2=NC3=C(CCC4=CC=CC=C43)C(N12)C5=CC=C(C=C5)Cl)C(=O)C","AISFHTULNVBVHT-UHFFFAOYSA-N",388255,NA,"PDBC35256","682866","Present",NA,NA
+"35257","Ethaverine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ETHAVERINE HYDROCHLORIDE",NA,"CCOC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OCC)OCC)OCC.Cl","UPUDVKWQBVIKBG-UHFFFAOYSA-N",5702159,NA,"PDBC35257","757818","Present",NA,NA
+"35258","Ethidium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dromilac///HOMIDIUM BROMIDE///ethidium chloride",NA,"CC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N","QTANTQQOYSUMLC-UHFFFAOYSA-O",3624,NA,"PDBC35258","268986///758630///84423","Present",NA,NA
+"35259","Ethoxy(1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethoxy(1,4-naphthochinone-2-olato)bis(1-phenylbutane-1,3...",NA,"CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)C=C(C2=O)[O-].[Ti+4]","YGMMZKVHDHTBFA-UHFFFAOYSA-M",368054,NA,"PDBC35259","638379","Present",NA,NA
+"35260","Ethoxy-[1-methyl-1-(methylamino)ethyl]phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethoxy-[1-methyl-1-(methylamino)ethyl]phosphinic acid",NA,"CCOP(=O)(C(C)(C)NC)O","JPKDFENROIPDHP-UHFFFAOYSA-N",385488,NA,"PDBC35260","676737","Present",NA,NA
+"35261","Ethoxybis(1-phenylbutane-1,3-dionato)stigmasterolatotitanium (IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethoxybis(1-phenylbutane-1,3-dionato)stigmasterolatotita...",NA,"CCC(C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)[O-])C)C)C(C)C.CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","AMOCOIHBIRASLX-XZYNVARLSA-N",5388736,NA,"PDBC35261","638380","Present",NA,NA
+"35262","Ethoxycurcumin tribenzimidazolmethylcarbonte",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethoxycurcumin tribenzimidazolmethylcarbonte",NA,"CCOC1=C(C=CC(=C1)C=CC(=O)C(C(=O)CNC2=NC3=CC=CC=C3N2)C(=O)C=CC4=CC(=C(C=C4)OC(=O)CNC5=NC6=CC=CC=C6N5)OCC)OC(=O)CNC7=NC8=CC=CC=C8N7","YJRMBYNUBYFLAN-KSTNYAOJSA-N",45028265,NA,"PDBC35262","742019","Present",NA,NA
+"35263","Ethoxycurcumin trithiadiazolaminomethylcarbonte",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethoxycurcumin trithiadiazolaminomethylcarbonte",NA,"CCOC1=C(C=CC(=C1)C=CC(=O)C(C(=O)CNC2=NN=C(S2)C)C(=O)C=CC3=CC(=C(C=C3)OC(=O)CNC4=NN=C(S4)C)OCC)OC(=O)CNC5=NN=C(S5)C","FQZRCTLOIJPSEI-QHKWOANTSA-N",45028266,NA,"PDBC35263","742020","Present",NA,NA
+"35264","Ethoxytris(2-methyl-8-chinolineolato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethoxytris(2-methyl-8-chinolineolato)titanium(IV)",NA,"CC[O-].CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.CC1=NC2=C(C=CC=C2[O-])C=C1.[Ti+4]","NPGDPPNQWCACOV-UHFFFAOYSA-K",24202327,NA,"PDBC35264","638844","Present",NA,NA
+"35265","Ethyl (((((((2-(2-(benzyloxy)-3,4-dioxo-1-cyclobuten-1-yl)hydrazino)acetyl)amino)acetyl)amino)acetyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[2-[[2-[[2-[2-(3,4-dioxo-2-phenylmethoxycyclobuten-1-yl)hydrazinyl]acetyl]amino]acetyl]amino]acetyl]amino]acetate",NA,"CCOC(=O)CNC(=O)CNC(=O)CNC(=O)CNNC1=C(C(=O)C1=O)OCC2=CC=CC=C2","YXKXIMLUTGGOLL-UHFFFAOYSA-N",388763,NA,"PDBC35265","683841","Present",NA,NA
+"35266","Ethyl (((1-adamantyl(ethyl)amino)carbonyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC 9093",NA,"CCN(C(=O)NCC(=O)OCC)C12CC3CC(C1)CC(C3)C2","PFWGQQSIJBNTDY-UHFFFAOYSA-N",308221,NA,"PDBC35266","208912","Present",NA,NA
+"35267","Ethyl (((trifluoromethyl)sulfonyl)oxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TfO-CH2COOEt",NA,"CCOC(=O)COS(=O)(=O)C(F)(F)F","QWFJZCGIJRHYDQ-UHFFFAOYSA-N",371745,NA,"PDBC35267","646188","Present",NA,NA
+"35268","Ethyl ((2,2-dicyano-1-(methylthio)vinyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl ((2,2-dicyano-1-(methylthio)vinyl)amino)acetate",NA,"CCOC(=O)CNC(=C(C#N)C#N)SC","HNMSYFJYQTWLMW-UHFFFAOYSA-N",361885,NA,"PDBC35268","625230","Present",NA,NA
+"35269","Ethyl ((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl ((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)acetate",NA,"CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","VJZPGAICPGGHTL-UHFFFAOYSA-N",381816,NA,"PDBC35269","668889","Present",NA,NA
+"35270","Ethyl ((2-((2-((3,3-di(1H-imidazol-2-yl)propanoyl)amino)-3-methylpentanoyl)amino)propanoyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-[[2-[3,3-bis(1H-imidazol-2-yl)propanoylamino]-3-methylpentanoyl]amino]propanoylamino]acetate",NA,"CCC(C)C(C(=O)NC(C)C(=O)NCC(=O)OCC)NC(=O)CC(C1=NC=CN1)C2=NC=CN2","WAXMJAFIZOBPOG-UHFFFAOYSA-N",382821,NA,"PDBC35270","670557","Present",NA,NA
+"35271","Ethyl ((2-hydroxy-4-pyrimidinyl)thio)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(Ethoxycarbonylmethyl)thiouracil",NA,"CCOC(=O)CSC1=CC=NC(=O)N1","TUUWXOJYEBBXNH-UHFFFAOYSA-N",371126,NA,"PDBC35271","645086","Present",NA,NA
+"35272","Ethyl ((4-(2-ethoxy-2-oxoethoxy)-5,9-dioxo-6,7,8,9-tetrahydro-5H-benzo[a]cyclohepten-1-yl)oxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[4-(2-ethoxy-2-oxo-ethoxy)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]oxy]acetate",NA,"CCOC(=O)COC1=C2C(=O)CCCC(=O)C2=C(C=C1)OCC(=O)OCC","YQYSXMMGYNWGSF-UHFFFAOYSA-N",361665,NA,"PDBC35272","624883","Present",NA,NA
+"35273","Ethyl ((4-(4-chlorophenyl)-5-cyano-6-hydroxy-2-pyrimidinyl)thio)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl ((4-(4-chlorophenyl)-5-cyano-6-hydroxy-2-pyrimidinyl)thio)acetate",NA,"CCOC(=O)CSC1=NC(=C(C(=O)N1)C#N)C2=CC=C(C=C2)Cl","XMSFKXBKYRDQGH-UHFFFAOYSA-N",135486360,NA,"PDBC35273","686032","Present",NA,NA
+"35274","Ethyl ((4-amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl ((4-amino-5-(3,4-dimethoxyphenyl)-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate",NA,"CCOC(=O)CSC1=NC2=NC3=C(CCCC3)C(=C2C(=N1)N)C4=CC(=C(C=C4)OC)OC","FPCZUUZUABOCCJ-UHFFFAOYSA-N",381063,NA,"PDBC35274","667082","Present",NA,NA
+"35275","Ethyl ((4-amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl ((4-amino-5-phenyl-6,7,8,9-tetrahydropyrimido[4,5-b]quinolin-2-yl)thio)acetate",NA,"CCOC(=O)CSC1=NC2=NC3=C(CCCC3)C(=C2C(=N1)N)C4=CC=CC=C4","KLHCAUSRASXFAR-UHFFFAOYSA-N",381058,NA,"PDBC35275","667077","Present",NA,NA
+"35276","Ethyl ((4-ethoxy-1,3-benzothiazol-2-yl)amino)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl ((4-ethoxy-1,3-benzothiazol-2-yl)amino)(oxo)acetate",NA,"CCOC1=C2C(=CC=C1)SC(=N2)NC(=O)C(=O)OCC","DFJBVFDEUIWGGC-UHFFFAOYSA-N",361004,NA,"PDBC35276","623736","Present",NA,NA
+"35277","Ethyl ((4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)(phenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl ((4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)(phenyl)acetate",NA,"CCOC(=O)C(C1=CC=CC=C1)OC2=C3C(=C(C=C2)OC)CCCC3=O","GYTVILXEYRAWPE-UHFFFAOYSA-N",361671,NA,"PDBC35277","624889","Present",NA,NA
+"35278","Ethyl ((4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl ((4-methoxy-8-oxo-5,6,7,8-tetrahydro-1-naphthalenyl)oxy)acetate",NA,"CCOC(=O)COC1=C2C(=C(C=C1)OC)CCCC2=O","CEURRAKAVNFYIE-UHFFFAOYSA-N",361582,NA,"PDBC35278","624763","Present",NA,NA
+"35279","Ethyl ((5-(1-((4,5-diphenyl-1H-imidazol-2-yl)thio)-2-methylpropyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[5-[1-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-methylpropyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate",NA,"CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C(C(C)C)SC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5","XSMCHVUERKLVBE-UHFFFAOYSA-N",373859,NA,"PDBC35279","650822","Present",NA,NA
+"35280","Ethyl ((5-cyano-4-hydroxy-6-(4-methoxyphenyl)-2-pyrimidinyl)thio)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl ((5-cyano-4-hydroxy-6-(4-methoxyphenyl)-2-pyrimidinyl)thio)acetate",NA,"CCOC(=O)CSC1=NC(=C(C(=O)N1)C#N)C2=CC=C(C=C2)OC","JXPJPEZEAWFAJV-UHFFFAOYSA-N",135489869,NA,"PDBC35280","686031","Present",NA,NA
+"35281","Ethyl (1-(1-naphthyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (1-(1-naphthyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl)acetate",NA,"CCOC(=O)CC1(C2=CC=CC=C2C(=O)O1)C3=CC=CC4=CC=CC=C43","JQIRIJZGQULFRC-UHFFFAOYSA-N",362063,NA,"PDBC35281","625585","Present",NA,NA
+"35282","Ethyl (1-(11-(4-(2-(5-(((ethoxycarbonyl)amino)carbonyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)ethyl)-1-piperazinyl)-11-oxoundecyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[11-[4-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazin-1-yl]-11-oxoundecyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCCCCCCCCC(=O)N2CCN(CC2)CCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC","MYBWNNKKVPOGQY-UHFFFAOYSA-N",361872,NA,"PDBC35282","625194","Present",NA,NA
+"35283","Ethyl (1-adamantylamino)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, 2-ethoxy-2-oxo-N-(tricyclo[3.3.1.1(3,7)]decan...",NA,"CCOC(=O)C(=O)NC12CC3CC(C1)CC(C3)C2","HOHRNAAMSSTIJQ-UHFFFAOYSA-N",366798,NA,"PDBC35283","635570","Present",NA,NA
+"35284","Ethyl (1-cyclohexyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (1-cyclohexyl-3-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)C)C2CCCCC2","ALXOFWSCLRIHEH-UHFFFAOYSA-N",367237,NA,"PDBC35284","636780","Present",NA,NA
+"35285","Ethyl (11E)-14,17-diacetyloxy-10-benzyl-11-methyl-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (11E)-14,17-diacetyloxy-10-benzyl-11-methyl-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate",NA,"CCOC(=O)C1=C(N(C(=O)C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)OC(=O)C)OC(=O)C)CC4=CC=CC=C4)C","IKISTKGKFREULU-NLRVBDNBSA-N",5472896,NA,"PDBC35285","722397","Present",NA,NA
+"35286","Ethyl (11E)-14,17-diacetyloxy-11-methyl-10-(4-methylphenyl)-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (11E)-14,17-diacetyloxy-11-methyl-10-(4-methylphenyl)-2,9-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(17),3,5,7,11,13,15-heptaene-12-carboxylate",NA,"CCOC(=O)C1=C(N(C(=O)C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)C)C","PPTHKMQBOAHQSW-NLRVBDNBSA-N",5473107,NA,"PDBC35286","723891","Present",NA,NA
+"35287","Ethyl (1E)-N-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]methanehydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (1E)-N-[2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]methanehydrazonate",NA,"CCOC=NNC(=O)CSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3","JBMXSOPAIYYZKI-LPYMAVHISA-N",9572421,NA,"PDBC35287","715715","Present",NA,NA
+"35288","Ethyl (1E)-N-carbamothioyl-2-(4-chlorophenyl)ethanehydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686977",NA,"CCOC(=NNC(=S)N)CC1=CC=C(C=C1)Cl","IFKHJJMUCOYQDO-GXDHUFHOSA-N",5466373,NA,"PDBC35288","686977","Present",NA,NA
+"35289","Ethyl (1E)-N-ethoxycarbonyl-2-(4-nitrophenyl)ethanehydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687217",NA,"CCOC(=NNC(=O)OCC)CC1=CC=C(C=C1)[N+](=O)[O-]","GIBBEHAAGLPWTN-WYMLVPIESA-N",5466376,NA,"PDBC35289","687217","Present",NA,NA
+"35290","Ethyl (1E)-N-ethoxycarbonyl-2-phenylethanehydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687216",NA,"CCOC(=NNC(=O)OCC)CC1=CC=CC=C1","ZTGRLRHFJBXNBN-WYMLVPIESA-N",5466375,NA,"PDBC35290","687216","Present",NA,NA
+"35291","Ethyl (1E)-N-ethoxycarbonylpropanehydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679488",NA,"CCC(=NNC(=O)OCC)OCC","UXXBCTUQADDHKA-VQHVLOKHSA-N",5466172,NA,"PDBC35291","679488","Present",NA,NA
+"35292","Ethyl (1R,2R,4R)-4-hydroxy-4-methyl-8-oxo-2-phenylbicyclo[3.2.1]octane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl(1r,2r,4r)-4-hydroxy-4-methyl-8-oxo-2-phenyl-bicyclo[3.2.1]octane-1-carboxylate",NA,"CCOC(=O)C12CCC(C1=O)C(CC2C3=CC=CC=C3)(C)O","BLFVKRZLPINTDI-YDTPAXHBSA-N",397723,NA,"PDBC35292","706131","Present",NA,NA
+"35293","Ethyl (1S,2R,6R,9R)-7-oxo-9-phenyl-10-oxa-3,4,5,8-tetrazatricyclo[6.3.0.02,6]undec-3-ene-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (1S,2R,6R,9R)-7-oxo-9-phenyl-10-oxa-3,4,5,8-tetrazatricyclo[6.3.0.02,6]undec-3-ene-6-carboxylate",NA,"CCOC(=O)C12C(C3COC(N3C1=O)C4=CC=CC=C4)N=NN2","VPVGVICVNTYXMQ-RTWAVKEYSA-N",6712693,NA,"PDBC35293","706194","Present",NA,NA
+"35294","Ethyl (1Z)-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydrazinyl-2-oxoacetyl)propanehydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (1Z)-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)-N-(2-hydrazinyl-2-oxoacetyl)propanehydrazonate",NA,"CCOC(=NNC(=O)C(=O)NN)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl","LPISMVBZIIQJNY-BNCCVWRVSA-N",6298876,NA,"PDBC35294","631547","Present",NA,NA
+"35295","Ethyl (1Z)-N-(5-carbamoyl-1H-triazol-4-yl)hexanimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (1Z)-N-(5-carbamoyl-1H-triazol-4-yl)hexanimidate",NA,"CCCCCC(=NC1=NNN=C1C(=O)N)OCC","PGOANAQEVMYHRN-UHFFFAOYSA-N",385087,NA,"PDBC35295","676014","Present",NA,NA
+"35296","Ethyl (1Z)-N-[(6Z)-2-cyano-6-(furan-2-ylmethylidene)-5-oxoimidazo[2,1-b][1,3]thiazol-3-yl]methanimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (1Z)-N-[(6Z)-2-cyano-6-(furan-2-ylmethylidene)-5-oxoimidazo[2,1-b][1,3]thiazol-3-yl]methanimidate",NA,"CCOC=NC1=C(SC2=NC(=CC3=CC=CO3)C(=O)N12)C#N","WGHMNZXZFSGCNM-YVBZAUQLSA-N",6519324,NA,"PDBC35296","684399","Present",NA,NA
+"35297","Ethyl (2'Z)-2'-(2-ethoxy-2-oxoethylidene)spiro[1,3,4,9-tetrahydrocarbazole-2,3'-1H-indole]-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2'Z)-2'-(2-ethoxy-2-oxoethylidene)spiro[1,3,4,9-tetrahydrocarbazole-2,3'-1H-indole]-1-carboxylate",NA,"CCOC(=O)C=C1C2(CCC3=C(C2C(=O)OCC)NC4=CC=CC=C34)C5=CC=CC=C5N1","YOSABUILDZLTOV-QNGOZBTKSA-N",5472503,NA,"PDBC35297","719705","Present",NA,NA
+"35298","Ethyl (2,4-dihydroxy-5-pyrimidinyl)carbonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2,4-dihydroxy-5-pyrimidinyl)carbonylcarbamate",NA,"CCOC(=O)NC(=O)C1=CNC(=O)NC1=O","YAJNYBXRRLUAKC-UHFFFAOYSA-N",367417,NA,"PDBC35298","637135","Present",NA,NA
+"35299","Ethyl (2,4-dioxo-1-(2-(4-(11-(9H-purin-6-ylamino)undecanoyl)-1-piperazinyl)ethyl)-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[2,4-dioxo-1-[2-[4-[11-(7H-purin-6-ylamino)undecanoyl]piperazin-1-yl]ethyl]pyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C(=O)CCCCCCCCCCNC3=NC=NC4=C3NC=N4","KXUVLTZHOKTPGO-UHFFFAOYSA-N",362257,NA,"PDBC35299","625869","Present",NA,NA
+"35300","Ethyl (2,6-diisopropylanilino)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2,6-diisopropylanilino)(oxo)acetate",NA,"CCOC(=O)C(=O)NC1=C(C=CC=C1C(C)C)C(C)C","NNIXZEGJEDREFU-UHFFFAOYSA-N",360718,NA,"PDBC35300","623054","Present",NA,NA
+"35301","Ethyl (2-((2,5-dichlorophenyl)imino)-2,5-dihydro-1,3-thiazol-4-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-((2,5-dichlorophenyl)imino)-2,5-dihydro-1,3-thiazol-4-yl)acetate",NA,"CCOC(=O)CC1=NC(=NC2=C(C=CC(=C2)Cl)Cl)SC1","LDCDSXBNMBKKID-UHFFFAOYSA-N",365863,NA,"PDBC35301","633938","Present",NA,NA
+"35302","Ethyl (2-(4-ethoxyanilino)-1,3-thiazol-4-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-(4-ethoxyanilino)-1,3-thiazol-4-yl)acetate",NA,"CCOC1=CC=C(C=C1)NC2=NC(=CS2)CC(=O)OCC","WZWKPUUQMDGQDK-UHFFFAOYSA-N",365852,NA,"PDBC35302","633926","Present",NA,NA
+"35303","Ethyl (2-(allylimino)-2,5-dihydro-1,3-thiazol-4-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-(allylimino)-2,5-dihydro-1,3-thiazol-4-yl)acetate",NA,"CCOC(=O)CC1=NC(=NCC=C)SC1","CSUANYZLGMEEHL-UHFFFAOYSA-N",365873,NA,"PDBC35303","633949","Present",NA,NA
+"35304","Ethyl (2-(aminosulfonyl)-5-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-(aminosulfonyl)-5-bromoimidazo[2,1-b][1,3,4]thiadiazol-6-yl)acetate",NA,"CCOC(=O)CC1=C(N2C(=N1)SC(=N2)S(=O)(=O)N)Br","RLRTYMCAWDYAFK-UHFFFAOYSA-N",394567,NA,"PDBC35304","698132","Present",NA,NA
+"35305","Ethyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate",NA,"CCOC(=O)CN1CCSC1=NC#N","KZWSSZWGMMTHMO-UHFFFAOYSA-N",361713,NA,"PDBC35305","624954","Present",NA,NA
+"35306","Ethyl (2-(methylthio)-5,7-dioxo-4-phenyl-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-(methylthio)-5,7-dioxo-4-phenyl-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate",NA,"CCOC(=O)CN1C(=O)C2=C(N(C1=O)C3=CC=CC=C3)SC(=N2)SC","LCOIVDKXPUGWDU-UHFFFAOYSA-N",383360,NA,"PDBC35306","671474","Present",NA,NA
+"35307","Ethyl (2-(methylthio)-7-oxo-4-phenyl-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-methylsulfanyl-7-oxo-4-phenyl-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl)acetate",NA,"CCOC(=O)CN1C(=O)C2=C(N(C1=S)C3=CC=CC=C3)SC(=N2)SC","ZIDIQXCACUULJL-UHFFFAOYSA-N",383355,NA,"PDBC35307","671469","Present",NA,NA
+"35308","Ethyl (2-benzyl-4-oxo-4,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-benzyl-4-oxo-4,7-dihydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl)acetate",NA,"CCOC(=O)CC1=NC2=NN(C=C2C(=O)N1)CC3=CC=CC=C3","SMUQAVIGAJBOHN-UHFFFAOYSA-N",135409116,NA,"PDBC35308","658423","Present",NA,NA
+"35309","Ethyl (2-benzyl-6-methyl-4-oxo-2,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-benzyl-6-methyl-4-oxo-2,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate",NA,"CCOC(=O)CN1C(=NC2=NN(C=C2C1=O)CC3=CC=CC=C3)C","GHJNLIAIJKSOEQ-UHFFFAOYSA-N",377197,NA,"PDBC35309","658424","Present",NA,NA
+"35310","Ethyl (2-bromo-4,6-difluoroanilino)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-bromo-4,6-difluoroanilino)(oxo)acetate",NA,"CCOC(=O)C(=O)NC1=C(C=C(C=C1Br)F)F","BMFQIELNWMKVIA-UHFFFAOYSA-N",369451,NA,"PDBC35310","641221","Present",NA,NA
+"35311","Ethyl (2-ethyl-6-isopropylanilino)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-ethyl-6-isopropylanilino)(oxo)acetate",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)OCC","IFCFJKRMIDLVJN-UHFFFAOYSA-N",366753,NA,"PDBC35311","635526","Present",NA,NA
+"35312","Ethyl (2-ethyl-6-methylanilino)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-ethyl-6-methylanilino)(oxo)acetate",NA,"CCC1=CC=CC(=C1NC(=O)C(=O)OCC)C","OUTRYSQLLHWMPD-UHFFFAOYSA-N",366291,NA,"PDBC35312","634642","Present",NA,NA
+"35313","Ethyl (2-hydroxy-7,12-dioxo-7,12-dihydronaphtho[2,3-f]quinoxalin-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-f]quinoxaline-3-acetic acid, 2-hydroxy- 7,12...",NA,"CCOC(=O)CC1=NC2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)NC1=O","VZCPXFJTZLEMJO-UHFFFAOYSA-N",369544,NA,"PDBC35313","641405","Present",NA,NA
+"35314","Ethyl (2-isopropyl-6-methylanilino)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-isopropyl-6-methylanilino)(oxo)acetate",NA,"CCOC(=O)C(=O)NC1=C(C=CC=C1C(C)C)C","CZZWDUYKGAXRCO-UHFFFAOYSA-N",362277,NA,"PDBC35314","625888","Present",NA,NA
+"35315","Ethyl (2-methyl-3-{(E)-[2-(naphtho[2,1-b]furan-2-ylcarbonyl)hydrazinylidene]methyl}-1H-indol-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl (E)-2-(2-methyl-3-((2-(naphtho[2,1-b]furan-2-carbo...",NA,"CCOC(=O)CN1C(=C(C2=CC=CC=C21)C=NNC(=O)C3=CC4=C(O3)C=CC5=CC=CC=C54)C","LRJLDVJFMBTCOG-RWPZCVJISA-N",6876386,NA,"PDBC35315","803052","Present",NA,NA
+"35316","Ethyl (2-sec-butyl-6-ethylanilino)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-sec-butyl-6-ethylanilino)(oxo)acetate",NA,"CCC1=C(C(=CC=C1)C(C)CC)NC(=O)C(=O)OCC","YEWRTINPPXWUHZ-UHFFFAOYSA-N",366794,NA,"PDBC35316","635567","Present",NA,NA
+"35317","Ethyl (2-tert-butyl-6-methylanilino)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2-tert-butyl-6-methylanilino)(oxo)acetate",NA,"CCOC(=O)C(=O)NC1=C(C=CC=C1C(C)(C)C)C","AMSCHAFXXDTSBY-UHFFFAOYSA-N",364765,NA,"PDBC35317","631524","Present",NA,NA
+"35318","Ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2E)-2-(1,4-dioxaspiro[4.4]nonan-9-ylidene)acetate",NA,"CCOC(=O)C=C1CCCC12OCCO2","CUYXHGWGOWOLEY-CMDGGOBGSA-N",5387033,NA,"PDBC35318","619937","Present",NA,NA
+"35319","Ethyl (2E)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-(4-nitrophenyl)-3-oxo-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2E)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-(4-nitrophenyl)-3-oxo-propanoate",NA,NA,NA,NA,NA,"PDBC35319","645340","Present",NA,NA
+"35320","Ethyl (2E)-2-(diaminomethylidenehydrazinylidene)cyclopentane-1-carboxylate;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2E)-2-(diaminomethylidenehydrazinylidene)cyclopentane-1-carboxylate;4-hydroxy-2-methyl-5-propan-2-ylbenzenesulfonic acid",NA,"CCOC(=O)C1CCCC1=NN=C(N)N.CC1=CC(=C(C=C1S(=O)(=O)O)C(C)C)O","PBAKGNXEKSSNSG-FLDSLJMSSA-N",9561727,NA,"PDBC35320","69559","Present",NA,NA
+"35321","Ethyl (2E)-2-[2-(4-cyanophenyl)imino-3-(furan-2-ylmethyl)-4-oxo-1,3-thiazolidin-5-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 2-((Z)-2-((4-cyanophenyl)imino)-3-(furan-2-ylmethy...",NA,"CCOC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)C#N)S1)CC3=CC=CO3","UDEUVQCYOYKYAJ-NIHZCWFLSA-N",155812086,NA,"PDBC35321","790491","Present",NA,NA
+"35322","Ethyl (2E)-2-bromo-2-(5-oxobenzo[d][2]benzoxepin-7-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2E)-2-bromo-2-(5-oxobenzo[d][2]benzoxepin-7-ylidene)acetate",NA,"CCOC(=O)C(=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O1)Br","GGNIZPFKTFTVDL-FOCLMDBBSA-N",3004359,NA,"PDBC35322","648537","Present",NA,NA
+"35323","Ethyl (2E)-3-butyl-4-methyl-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2E)-3-butyl-4-methyl-2-[(3-phenylquinoxalin-2-yl)hydrazinylidene]-1,3-thiazole-5-carboxylate",NA,"CCCCN1C(=C(SC1=NNC2=NC3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)OCC)C","FOEADSFSQFHANK-XLVZBRSZSA-N",9572219,NA,"PDBC35323","707974","Present",NA,NA
+"35324","Ethyl (2E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]hepta-2,4,6-trienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2E,4Z,6E)-5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]hepta-2,4,6-trienoate",NA,"CCOC(=O)C=CC(=C(C=CC1=CC(=C(C=C1)O)OC)O)C(=O)C=CC2=CC(=C(C=C2)O)OC","RPGJFVHVWHJQNA-XFLLJFGUSA-N",54695591,NA,"PDBC35324","734924","Present",NA,NA
+"35325","Ethyl (2E,6E,10E)-13-(furan-3-yl)-6,10-dimethyl-2-(2-oxo-2-piperidin-1-ylethyl)trideca-2,6,10-trienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2E,6E,10E)-13-(furan-3-yl)-6,10-dimethyl-2-(2-oxo...",NA,"CCOC(=O)C(=CCCC(=CCCC(=CCCC1=COC=C1)C)C)CC(=O)N2CCCCC2","DKXRDEIUBLMUJP-RWZRQHEKSA-N",155812860,NA,"PDBC35325","775924","Present",NA,NA
+"35326","Ethyl (2R)-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]-3-(5H-pyrrolo[3,2-d]pyrimidin-4-yldisulfanyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-((5H-pyrrolo[3,2-d]pyrimidin-4-yl)disulfanyl)-2-...",NA,"CCOC(=O)C(CSSC1=NC=NC2=C1NC=C2)NC(=O)C(C)C3=CC4=C(C=C3)C=C(C=C4)OC","HFSYQEATZVUUQI-BTYIYWSLSA-N",155811580,NA,"PDBC35326","778252","Present",NA,NA
+"35327","Ethyl (2R)-2-acetamido-3-[4-(chloromethyl)phenyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2R)-2-acetamido-3-[4-(chloromethyl)phenyl]propanoate",NA,"CCOC(=O)C(CC1=CC=C(C=C1)CCl)NC(=O)C","CIAQWTMEOZOLIA-CYBMUJFWSA-N",401487,NA,"PDBC35327","715145","Present",NA,NA
+"35328","Ethyl (2S)-2-[(3,4-dimethoxyphenyl)methylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2S)-2-[(3,4-dimethoxyphenyl)methylamino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate",NA,"CCOC(=O)C(CCCNC(=O)OC(C)(C)C)NCC1=CC(=C(C=C1)OC)OC","KZIPEHVWMNXWHJ-INIZCTEOSA-N",359599,NA,"PDBC35328","620620","Present",NA,NA
+"35329","Ethyl (2S)-2-[[(1S,5S,7S)-1-hydroxy-7-methyl-7-nitro-8-bicyclo[3.2.1]octanylidene]amino]-3-(4-hydroxyphenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2S)-2-[[(1S,5S,7S)-1-hydroxy-7-methyl-7-nitro-8-bicyclo[3.2.1]octanylidene]amino]-3-(4-hydroxyphenyl)propanoate",NA,"CCOC(=O)C(CC1=CC=C(C=C1)O)N=C2C3CCCC2(C(C3)(C)[N+](=O)[O-])O","FAIBMZBSOLETJD-JKTDJZPLSA-N",396908,NA,"PDBC35329","704087","Present",NA,NA
+"35330","Ethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-3-phenyl-propanoate",NA,NA,NA,NA,NA,"PDBC35330","645339","Present",NA,NA
+"35331","Ethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z)-2-(2,3-dimethylbenzimidazol-1-ium-2-id-1-ylidene)-3-oxo-propanoate",NA,NA,NA,NA,NA,"PDBC35331","645338","Present",NA,NA
+"35332","Ethyl (2Z)-2-(2-methyl-1,3-benzothiazol-3-ium-2-id-3-ylidene)-3-oxo-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z)-2-(2-methyl-1,3-benzothiazol-3-ium-2-id-3-ylidene)-3-oxo-3-phenyl-propanoate",NA,NA,NA,NA,NA,"PDBC35332","645337","Present",NA,NA
+"35333","Ethyl (2Z)-2-(3-acetoxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3-(acetyloxy)-5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-ylidene)acetate",NA,"CCOC(=O)C=C1C(N=C(C2=CC=CC=C2N1)C3=CC=CC=C3)OC(=O)C","LKDIZNMGBIVARU-AQTBWJFISA-N",5466708,NA,"PDBC35333","641537","Present",NA,NA
+"35334","Ethyl (2Z)-2-(5H-tetrazolo[1,5-a]quinoxalin-4-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-(4,5-dihydrotetrazolo/1,5-a/quinoxalin-4-ylidene) ...",NA,"CCOC(=O)C=C1C2=NN=NN2C3=CC=CC=C3N1","MTKFZRXBFHUSDT-CLFYSBASSA-N",5467017,NA,"PDBC35334","646842","Present",NA,NA
+"35335","Ethyl (2Z)-2-[(2,4-dichlorophenyl)imino]-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z)-2-[(2,4-dichlorophenyl)imino]-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1C(=NC(=NC2=C(C=C(C=C2)Cl)Cl)S1)C","FXAIPGPXKTYENW-UHFFFAOYSA-N",365878,NA,"PDBC35335","633955","Present",NA,NA
+"35336","Ethyl (2Z)-2-[2-(4-cyanophenyl)imino-3-[2-[(5Z)-2-(4-cyanophenyl)imino-5-(2-ethoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diethyl 2,2'-((2Z,2'Z)-3,3'-(ethane-1,2-diyl)bis(2-((4-c...",NA,"CCOC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)C#N)S1)CCN3C(=O)C(=CC(=O)OCC)SC3=NC4=CC=C(C=C4)C#N","BUSQEEPFKMRGCC-BZEDRDOPSA-N",155808552,NA,"PDBC35336","791547","Present",NA,NA
+"35337","Ethyl (2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)ethanimidate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)ethanimidate;hydrochloride",NA,"CCOC(=N)C(=C1C(=O)C(=C(O1)N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.Cl","QBXJSGZZFUPJRK-ZVBJHPSJSA-N",50988451,NA,"PDBC35337","621472","Present",NA,NA
+"35338","Ethyl (2Z)-2-[7-(3-phenylmethoxypropyl)spiro[1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,2'-1,3-dioxolane]-6-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z)-2-[7-(3-phenylmethoxypropyl)spiro[1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,2'-1,3-dioxolane]-6-ylidene]acetate",NA,"CCOC(=O)C=C1C(C2CCCC23N1CCC4(C3)OCCO4)CCCOCC5=CC=CC=C5","ZGNVKDBQIBPHKB-MOHJPFBDSA-N",5387560,NA,"PDBC35338","624524","Present",NA,NA
+"35339","Ethyl (2Z)-2-cyano-2-(16-oxo-14-sulfanylidene-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaen-18-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z)-2-cyano-2-(16-oxo-14-sulfanylidene-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12(17)-hexaen-18-ylidene)acetate",NA,"CCOC(=O)C(=C1C2=C(C=CC3=CC=CC=C32)OC4=C1C(=O)NC(=S)N4)C#N","MLRWTQDSHPWAQG-QINSGFPZSA-N",5471441,NA,"PDBC35339","711189","Present",NA,NA
+"35340","Ethyl (2Z)-5-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-6-carboxylate;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z)-5-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-[1,3]thiazolo[2,3-b][1,3]thiazol-4-ium-6-carboxylate;chloride",NA,"CCOC(=O)C1=C([N+]2=C(S1)SC(=CC3=CC=C(C=C3)[N+](=O)[O-])C2=O)C.[Cl-]","HDUTUBSFSSJUDV-JCTPKUEWSA-M",5351418,NA,"PDBC35340","658293","Present",NA,NA
+"35341","Ethyl (2Z,4Z)-2-carbamoyl-6-(4-chlorophenyl)-3,4-dihydroxy-6-oxohexa-2,4-dieno ate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z,5Z)-2-carbamoyl-6-(4-chlorophenyl)-3,6-dihydroxy-4-oxohexa-2,5-dienoate",NA,"CCOC(=O)C(=C(C(=O)C=C(C1=CC=C(C=C1)Cl)O)O)C(=O)N","IKVPYHKJCXECIP-IUDDKACKSA-N",54685705,NA,"PDBC35341","707049","Present",NA,NA
+"35342","Ethyl (2Z,5E)-5-bromo-2-carbamoyl-3,6-dihydroxy-4-oxo-6-phenylhexa-2,5-dienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (2Z,5E)-5-bromo-2-carbamoyl-3,6-dihydroxy-4-oxo-6-phenylhexa-2,5-dienoate",NA,"CCOC(=O)C(=C(C(=O)C(=C(C1=CC=CC=C1)O)Br)O)C(=O)N","SAKXFIVJAZVQED-MWOVLNQWSA-N",54685708,NA,"PDBC35342","707068","Present",NA,NA
+"35343","Ethyl (3,5-dibenzoyl-1H-pyrrol-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3,5-dibenzoyl-1H-pyrrol-2-yl)acetate",NA,"CCOC(=O)CC1=C(C=C(N1)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","REZFSUNILFILJR-UHFFFAOYSA-N",380391,NA,"PDBC35343","665908","Present",NA,NA
+"35344","Ethyl (3-(11-((3-(4-(3-((11-(5-(((ethoxycarbonyl)amino)carbonyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)undecanoyl)amino)propyl)-1-piperazinyl)propyl)amino)-11-oxoundecyl)-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinyl)carbonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[11-[3-[4-[3-[11-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]undecanoylamino]propyl]piperazin-1-yl]propylamino]-11-oxoundecyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCCCCCCCCC(=O)NCCCN2CCN(CC2)CCCNC(=O)CCCCCCCCCCN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC","PWLQEDMRSMOLSP-UHFFFAOYSA-N",362558,NA,"PDBC35344","626640","Present",NA,NA
+"35345","Ethyl (3-(2-(4-((((((5-(((ethoxycarbonyl)amino)carbonyl)-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetyl)amino)acetyl)amino)acetyl)-1-piperazinyl)ethyl)-2,6-dioxo-1,6-dihydro-5(2H)-pyrimidinyl)carbonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[2-[4-[2-[[2-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]acetyl]amino]acetyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C(=O)CNC(=O)CNC(=O)CN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC","ZDYVIFJKDRDTLO-UHFFFAOYSA-N",362557,NA,"PDBC35345","626639","Present",NA,NA
+"35346","Ethyl (3-(4-aminophenyl)-7-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3-(4-aminophenyl)-7-hydroxy-2-oxo-3,4-dihydro-2H-chromen-4-yl)acetate",NA,"CCOC(=O)CC1C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)N","AYRWMMUSPBHMTB-UHFFFAOYSA-N",381080,NA,"PDBC35346","667231","Present",NA,NA
+"35347","Ethyl (3-allyl-1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3-allyl-1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)CC=C)C2CCCCC2","BNLCKZWCWKQORR-UHFFFAOYSA-N",367416,NA,"PDBC35347","637134","Present",NA,NA
+"35348","Ethyl (3-cyclohexen-1-ylmethoxy)(phenylthio)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3-cyclohexen-1-ylmethoxy)(phenylthio)acetate",NA,"CCOC(=O)C(OCC1CCC=CC1)SC2=CC=CC=C2","ODCDGHXXYLBEKK-UHFFFAOYSA-N",374573,NA,"PDBC35348","652547","Present",NA,NA
+"35349","Ethyl (3-hydroxy-3-methyl-1-benzofuran-2(3H)-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3-hydroxy-3-methyl-1-benzofuran-2(3H)-ylidene)acetate",NA,"CCOC(=O)C=C1C(C2=CC=CC=C2O1)(C)O","SBRZYYWEKHKJJN-FLIBITNWSA-N",5388414,NA,"PDBC35349","635923","Present",NA,NA
+"35350","Ethyl (3E)-2-[4-acetamido-5-(ethoxycarbonylamino)-2-methoxy-anilino]-3-(acetylhydrazono)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-(acetylamino)-5-((ethoxycarbonyl)amino)-2-methoxyanilino)-3-(acetylhydrazono)propanoate",NA,"CCOC(=O)C(C=NNC(=O)C)NC1=C(C=C(C(=C1)NC(=O)OCC)NC(=O)C)OC","ARRNHPZTQZITMM-KEBDBYFISA-N",9571646,NA,"PDBC35350","694985","Present",NA,NA
+"35351","Ethyl (3E)-3-[(2-chlorophenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3E)-3-[(2-chlorophenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(NC2N(C1C3=CC=CC=C3)C(=CC4=CC=CC=C4Cl)C(=O)S2)C","RALWKDOJCPPZAD-QGOAFFKASA-N",24205459,NA,"PDBC35351","735817","Present",NA,NA
+"35352","Ethyl (3E)-3-[(2-hydroxyphenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3E)-3-[(2-hydroxyphenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(NC2N(C1C3=CC=CC=C3)C(=CC4=CC=CC=C4O)C(=O)S2)C","PTZWEYWRARBTJI-GHRIWEEISA-N",24205458,NA,"PDBC35352","735816","Present",NA,NA
+"35353","Ethyl (3E)-3-[(3-chlorophenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3E)-3-[(3-chlorophenyl)methylidene]-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(NC2N(C1C3=CC=CC=C3)C(=CC4=CC(=CC=C4)Cl)C(=O)S2)C","JOMWOJXTYAOLAE-QGOAFFKASA-N",24205460,NA,"PDBC35353","735818","Present",NA,NA
+"35354","Ethyl (3E)-3-benzylidene-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3E)-3-benzylidene-7-methyl-2-oxo-5-phenyl-8,8a-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(NC2N(C1C3=CC=CC=C3)C(=CC4=CC=CC=C4)C(=O)S2)C","LUBKCHWRVWGKRK-NBVRZTHBSA-N",24205453,NA,"PDBC35354","735811","Present",NA,NA
+"35355","Ethyl (3E)-3-ethylidene-4-oxocyclodecane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697877",NA,"CCOC(=O)C1CCCCCCC(=O)C(=CC)C1","CRJFPHSOLNTUGY-KGVSQERTSA-N",5470128,NA,"PDBC35355","697877","Present",NA,NA
+"35356","Ethyl (3E)-3-ethylidene-4-oxocyclotetradecane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697873",NA,"CCOC(=O)C1CCCCCCCCCCC(=O)C(=CC)C1","PUKFRSDJELGHHJ-HQYXKAPLSA-N",5470125,NA,"PDBC35356","697873","Present",NA,NA
+"35357","Ethyl (3S)-3-hydroxy-3-[1-(2-methylideneheptyl)pyrrolidin-2-yl]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3S)-3-hydroxy-3-[1-(2-methylideneheptyl)pyrrolidin-2-yl]butanoate",NA,"CCCCCC(=C)CN1CCCC1C(C)(CC(=O)OCC)O","QKJVYCAVTWRVOH-DAFXYXGESA-N",357786,NA,"PDBC35357","617311","Present",NA,NA
+"35358","Ethyl (3Z)-4,2-dithiol-3-ylidenecarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (3Z)-4,5-dichloro-3H-1,2-dithiol-3-ylidenecarbamate",NA,"CCOC(=O)N=C1C(=C(SS1)Cl)Cl","VYCHFRGGTOXYKC-UITAMQMPSA-N",24203710,NA,"PDBC35358","729186","Present",NA,NA
+"35359","Ethyl (3aR,7aR)-5,6-dichloro-3a,7a-dicyano-1-[(2,4-dichlorophenyl)methyl]-4,7-dihydroxy-2-methylindole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dichlor-1-(2,4-dichlorbenzyl)-3a,7a-dicyano-4,7-dihy...",NA,"CCOC(=O)C1=C(N(C2(C1(C(=C(C(=C2O)Cl)Cl)O)C#N)C#N)CC3=C(C=C(C=C3)Cl)Cl)C","INXDXFZDTNVTKO-LEWJYISDSA-N",24205846,NA,"PDBC35359","736920","Present",NA,NA
+"35360","Ethyl (4-(3,4-dimethoxyphenyl)-1-methyl-2,5-dioxo-3-pyrrolidinylidene)(hydroxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4-(3,4-dimethoxyphenyl)-1-methyl-2,5-dioxo-3-pyrrolidinylidene)(hydroxy)acetate",NA,"CCOC(=O)C(=C1C(C(=O)N(C1=O)C)C2=CC(=C(C=C2)OC)OC)O","UKOFLSJBIDKEGM-BUHFOSPRSA-N",54685782,NA,"PDBC35360","626871","Present",NA,NA
+"35361","Ethyl (4-(3,4-dimethoxyphenyl)-2,5-dioxo-1-propyl-3-pyrrolidinylidene)(hydroxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4-(3,4-dimethoxyphenyl)-2,5-dioxo-1-propyl-3-pyrrolidinylidene)(hydroxy)acetate",NA,"CCCN1C(=O)C(C(=C(C(=O)OCC)O)C1=O)C2=CC(=C(C=C2)OC)OC","QQRSLUUMMUZLHQ-FOCLMDBBSA-N",54685783,NA,"PDBC35361","626872","Present",NA,NA
+"35362","Ethyl (4-(3-(4-methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4-(3-(4-methoxyphenyl)-3-oxo-1-propenyl)phenoxy)acetate",NA,"CCOC(=O)COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC","DAIHLCNRFGTFJP-AWNIVKPZSA-N",5469050,NA,"PDBC35362","682091","Present",NA,NA
+"35363","Ethyl (4-(4-methylphenyl)-2-(methylthio)-7-oxo-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-methylsulfanyl-7-oxo-4-(p-tolyl)-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl]acetate",NA,"CCOC(=O)CN1C(=O)C2=C(N(C1=S)C3=CC=C(C=C3)C)SC(=N2)SC","CPOIRFPMCHQXGO-UHFFFAOYSA-N",383356,NA,"PDBC35363","671470","Present",NA,NA
+"35364","Ethyl (4-chloro-2-methylanilino)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-690/15438542",NA,"CCOC(=O)C(=O)NC1=C(C=C(C=C1)Cl)C","PMYROYQKBIJSQZ-UHFFFAOYSA-N",366178,NA,"PDBC35364","634505","Present",NA,NA
+"35365","Ethyl (4-cyano-2,3-dimethyl-9-oxo-10(9H)-acridinyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4-cyano-2,3-dimethyl-9-oxo-10(9H)-acridinyl)acetate",NA,"CCOC(=O)CN1C2=CC=CC=C2C(=O)C3=C1C(=C(C(=C3)C)C)C#N","URMUWYSCMGSTPZ-UHFFFAOYSA-N",367597,NA,"PDBC35365","637429","Present",NA,NA
+"35366","Ethyl (4-ethyl-2-(methylthio)-7-oxo-5-thioxo-4,7-dihydro[1,3]thiazolo[5,4-d]pyrimidin-6(5H)-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-ethyl-2-methylsulfanyl-7-oxo-5-thioxo-thiazolo[5,4-d]pyrimidin-6-yl)acetate",NA,"CCN1C2=C(C(=O)N(C1=S)CC(=O)OCC)N=C(S2)SC","NNPFGWNJYLQTIS-UHFFFAOYSA-N",383358,NA,"PDBC35366","671472","Present",NA,NA
+"35367","Ethyl (4-fluoroanilino)(4-fluorophenyl)methyl(methyl)phosphinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4-fluoroanilino)(4-fluorophenyl)methyl(methyl)phosphinate",NA,"CCOP(=O)(C)C(C1=CC=C(C=C1)F)NC2=CC=C(C=C2)F","QONJQAUHSKXQFB-UHFFFAOYSA-N",385489,NA,"PDBC35367","676738","Present",NA,NA
+"35368","Ethyl (4-hydroxy-1-methyl-5-oxo-2-phenyl-3-pyrrolidinyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4-hydroxy-1-methyl-5-oxo-2-phenyl-3-pyrrolidinyl)acetate",NA,"CCOC(=O)CC1C(N(C(=O)C1O)C)C2=CC=CC=C2","HINVZQXINGFWBK-UHFFFAOYSA-N",389096,NA,"PDBC35368","684755","Present",NA,NA
+"35369","Ethyl (4-methyl-1,3-benzothiazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-benzothiazol-2-yl-carbamic acid ethyl ester",NA,"CCOC(=O)NC1=NC2=C(C=CC=C2S1)C","MULIROJBYBXGDB-UHFFFAOYSA-N",17249907,NA,"PDBC35369","764929","Present",NA,NA
+"35370","Ethyl (4-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4-methyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)acetate",NA,"CCOC(=O)CN1C(=O)C(NC1=O)(C)C2=CC=CC=C2","CQSFHCRWHHCOJH-UHFFFAOYSA-N",389750,NA,"PDBC35370","686346","Present",NA,NA
+"35371","Ethyl (4-oxo-1,3-thiazolidin-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4-oxo-1,3-thiazolidin-2-yl)acetate",NA,"CCOC(=O)CC1NC(=O)CS1","CWVMIVXNCWYTHH-UHFFFAOYSA-N",366931,NA,"PDBC35371","636095","Present",NA,NA
+"35372","Ethyl (4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)phenylcarbamate",NA,"CCOC(=O)N(C1=CC=CC=C1)C2=CC(=O)N3C=CC=CC3=N2","WUCYIBRIIMVLOC-UHFFFAOYSA-N",376970,NA,"PDBC35372","658170","Present",NA,NA
+"35373","Ethyl (45R)-7,8,9,12,13,14,25,26,27,30,31,32,35,45-tetradecahydroxy-4,17,22,36,39,43-hexaoxo-3,18,21,40,42-pentaoxanonacyclo[27.12.3.137,41.02,20.05,10.011,16.023,28.033,44.034,38]pentatetraconta-5,7,9,11,13,15,23,25,27,29(44),30,32,37-tridecaene-35-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (45R)-7,8,9,12,13,14,25,26,27,30,31,32,35,45-tetradecahydroxy-4,17,22,36,39,43-hexaoxo-3,18,21,40,42-pentaoxanonacyclo[27.12.3.137,41.02,20.05,10.011,16.023,28.033,44.034,38]pentatetraconta-5,7,",NA,"CCOC(=O)C1(C2C3=C(C1=O)C(C(C4C5C(COC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O5)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C2=C(C(=C9O)O)O)C(=O)O4)O)O)O)OC3=O)O)O","WEVJRBBQIWRIDK-DBYKHBFJSA-N",6712365,NA,"PDBC35373","676818","Present",NA,NA
+"35374","Ethyl (4S)-4-amino-5-[[(2R)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4S)-4-amino-5-[[(2R)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid",NA,"CCOC(=O)CCC(C(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)OCC)N.C(=O)(C(F)(F)F)O","YCHHSVORNXDICG-GRTNUQQKSA-N",388719,NA,"PDBC35374","683777","Present",NA,NA
+"35375","Ethyl (4S)-4-amino-5-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4S)-4-amino-5-[[(2S)-3-[4-[bis(2-chloroethyl)amino]phenyl]-1-ethoxy-1-oxopropan-2-yl]amino]-5-oxopentanoate;2,2,2-trifluoroacetic acid",NA,"CCOC(=O)CCC(C(=O)NC(CC1=CC=C(C=C1)N(CCCl)CCCl)C(=O)OCC)N.C(=O)(C(F)(F)F)O","YCHHSVORNXDICG-HLRBRJAUSA-N",388717,NA,"PDBC35375","683776","Present",NA,NA
+"35376","Ethyl (4Z)-2-(4-bromoanilino)-4-[(2-hydroxybenzoyl)hydrazono]furan-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4Z)-2-(4-bromoanilino)-4-[(2-hydroxybenzoyl)hydrazono]furan-3-carboxylate",NA,"CCOC(=O)C1=C(OCC1=NNC(=O)C2=CC=CC=C2O)NC3=CC=C(C=C3)Br","WRDNFPGMZVYNOO-HZHRSRAPSA-N",135483945,NA,"PDBC35376","637441","Present",NA,NA
+"35377","Ethyl (4Z)-2-(butylamino)-4-[(2-hydroxybenzoyl)hydrazono]-4,5-dihydrofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4Z)-2-(butylamino)-4-[(2-hydroxybenzoyl)hydrazono]-4,5-dihydrofuran-3-carboxylate",NA,"CCCCNC1=C(C(=NNC(=O)C2=CC=CC=C2O)CO1)C(=O)OCC","SITHJXXPVWLOQI-DEDYPNTBSA-N",135483944,NA,"PDBC35377","637438","Present",NA,NA
+"35378","Ethyl (4Z)-2-[(3,4-dichlorophenyl)amino]-4-[(phenylacetyl)hydrazono]-4,5-dihydrofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4Z)-2-[(3,4-dichlorophenyl)amino]-4-[(phenylacetyl)hydrazono]-4,5-dihydrofuran-3-carboxylate",NA,"CCOC(=O)C1=C(OCC1=NNC(=O)CC2=CC=CC=C2)NC3=CC(=C(C=C3)Cl)Cl","UDFZTVFJSZLZLD-KOEQRZSOSA-N",135483942,NA,"PDBC35378","637435","Present",NA,NA
+"35379","Ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazono]-2-(1-naphthylamino)-4,5-dihydrofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4Z)-4-[(2-hydroxybenzoyl)hydrazono]-2-(1-naphthylamino)-4,5-dihydrofuran-3-carboxylate",NA,"CCOC(=O)C1=C(OCC1=NNC(=O)C2=CC=CC=C2O)NC3=CC=CC4=CC=CC=C43","GMMMRLPRVQDGQS-LGUFXXKBSA-N",135483950,NA,"PDBC35379","637692","Present",NA,NA
+"35380","Ethyl (4Z)-4-[[(2-amino-2-thioxo-ethanethioyl)amino]methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4Z)-4-[[(2-amino-2-thioxo-ethanethioyl)amino]methylene]-5-oxo-1-phenyl-pyrazole-3-carboxylate",NA,"CCOC(=O)C1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC(=S)C(=S)N","YBMXYQWORTWVGB-UHFFFAOYSA-N",3004778,NA,"PDBC35380","659718","Present",NA,NA
+"35381","Ethyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methylpyrazolo[1,5-a]indol-1-ium-2-carboxylate;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4Z)-4-[[4-(dimethylamino)phenyl]methylidene]-1-methylpyrazolo[1,5-a]indol-1-ium-2-carboxylate;trifluoromethanesulfonate",NA,"CCOC(=O)C1=[N+](N2C3=CC=CC=C3C(=CC4=CC=C(C=C4)N(C)C)C2=C1)C.C(F)(F)(F)S(=O)(=O)[O-]","IFOWEZCGRQUKHO-UHFFFAOYSA-M",5470321,NA,"PDBC35381","699478","Present",NA,NA
+"35382","Ethyl (4Z,5Z)-5-(1-hydroxypropylidene)-4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-ylidene]-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (4Z,5Z)-5-(1-hydroxypropylidene)-4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-ylidene]-1H-pyrrole-2-carboxylate",NA,"CCC(C)CN1CCC(=C2C=C(NC2=C(CC)O)C(=O)OCC)C1=S","WKYBSKMOVLSYLQ-AUGURXLVSA-N",135505162,NA,"PDBC35382","694465","Present",NA,NA
+"35383","Ethyl (5,6-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (5,6-dichloro-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyrazin-1-yl)acetate",NA,"CCOC(=O)CN1C2=C(N=C(C(=N2)Cl)Cl)N=C1C(F)(F)F","GPUPKROWDMLUBY-UHFFFAOYSA-N",296474,NA,"PDBC35383","166638","Present",NA,NA
+"35384","Ethyl (5-cyano-2-(1-cyano-2-(2-furyl)vinyl)-6-hydroxy-4-pyrimidinyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (5-cyano-2-(1-cyano-2-(2-furyl)vinyl)-6-hydroxy-4-pyrimidinyl)acetate",NA,"CCOC(=O)CC1=C(C(=O)NC(=N1)C(=CC2=CC=CO2)C#N)C#N","OQJVIXHCPDRPPS-UXBLZVDNSA-N",135429968,NA,"PDBC35384","628364","Present",NA,NA
+"35385","Ethyl (5E)-5-(1-cyano-2-methoxy-2-oxoethylidene)pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (5E)-5-(1-cyano-2-methoxy-2-oxoethylidene)pyrrolidine-2-carboxylate",NA,"CCOC(=O)C1CCC(=C(C#N)C(=O)OC)N1","XIUGHWODJDDGNA-BQYQJAHWSA-N",5388403,NA,"PDBC35385","635586","Present",NA,NA
+"35386","Ethyl (5S)-5-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-7-methyl-3-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-ethyl 5-(3-(4-chlorophenyl)-1H-pyrazol-4-yl)-7-methy...",NA,"CCOC(=O)C1=C(N=C2N(C1C3=C(NN=C3)C4=CC=C(C=C4)Cl)C(=CS2)C5=CC=CC=C5)C","AIOBHUIINMZMKX-QHCPKHFHSA-N",155810214,NA,"PDBC35386","788590","Present",NA,NA
+"35387","Ethyl (5aS,9aS)-4-imino-5a,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (5aS,9aS)-4-imino-5a,6,7,8,9,9a-hexahydro-1H-pyrimido[1,2-a]benzimidazole-3-carboxylate",NA,"CCOC(=O)C1=CN=C2NC3CCCCC3N2C1=N","PTQWRAOGOZZNMZ-UWVGGRQHSA-N",389410,NA,"PDBC35387","685482","Present",NA,NA
+"35388","Ethyl (6-bromo-1,3-benzothiazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromo-benzothiazol-2-yl-carbamic acid ethyl ester",NA,"CCOC(=O)NC1=NC2=C(S1)C=C(C=C2)Br","KCAFKDWDQKJQDD-UHFFFAOYSA-N",3751346,NA,"PDBC35388","764931","Present",NA,NA
+"35389","Ethyl (6-ethoxy-1,3-benzothiazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stk440742",NA,"CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)OCC","IOVKGYFVWSODCN-UHFFFAOYSA-N",193106,NA,"PDBC35389","767188","Present",NA,NA
+"35390","Ethyl (6-hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-4-pyrimidinyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (6-hydroxy-2-(5-hydroxy-4-(2-hydroxyethyl)-3-methyl-1H-pyrazol-1-yl)-4-pyrimidinyl)acetate",NA,"CCOC(=O)CC1=CC(=O)NC(=N1)N2C(=O)C(=C(N2)C)CCO","DPDOTXQSESNXRN-UHFFFAOYSA-N",135409192,NA,"PDBC35390","664721","Present",NA,NA
+"35391","Ethyl (7-benzyl-1-methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (7-benzyl-1-methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl)acetate",NA,"CCOC(=O)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC=CC=C3","VRFBOZJPAWFNMZ-UHFFFAOYSA-N",367817,NA,"PDBC35391","637882","Present",NA,NA
+"35392","Ethyl (9E)-5-(4-chlorophenyl)-9-[(4-chlorophenyl)methylidene]-3-methyl-5,6,7,8-tetrahydro-[1,3]thiazolo[2,3-b]quinazoline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-ethyl 9-(4-chlorobenzylidene)-5-(4-chlorophenyl)-3-m...",NA,"CCOC(=O)C1=C(N2C(C3=C(C(=CC4=CC=C(C=C4)Cl)CCC3)N=C2S1)C5=CC=C(C=C5)Cl)C","YDPBQYYRYLSVPN-XDJHFCHBSA-N",6146357,NA,"PDBC35392","763545","Present",NA,NA
+"35393","Ethyl (E)-2-(4-chlorobenzoyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-2-(4-chlorobenzoyl)-3-(2-phenyl-1H-indol-3-yl)prop-2-enoate",NA,"CCOC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","GTNFSOYORAFDID-CJLVFECKSA-N",54613203,NA,"PDBC35393","749029","Present",NA,NA
+"35394","Ethyl (E)-2-benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-2-benzoyl-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate",NA,"CCOC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C(=O)C3=CC=CC=C3","GQTQCVIZIBBRGW-FYWRMAATSA-N",24203790,NA,"PDBC35394","729522","Present",NA,NA
+"35395","Ethyl (E)-2-benzoyl-3-phenylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636427",NA,"CCOC(=O)C(=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2","BHKXLHNAIARBLO-DTQAZKPQSA-N",5378099,NA,"PDBC35395","636427","Present",NA,NA
+"35396","Ethyl (E)-2-cyano-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-2-cyano-3-(3,4,5-trimethyl-1H-pyrrol-2-yl)prop-2-enoate",NA,"CCOC(=O)C(=CC1=C(C(=C(N1)C)C)C)C#N","PRJZXMSNUFKGEZ-IZZDOVSWSA-N",5387573,NA,"PDBC35396","624867","Present",NA,NA
+"35397","Ethyl (E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-2-cyano-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]prop-2-enoate",NA,"CCOC(=O)C(=CNC1=C(N(N(C1=O)C2=CC=CC=C2)C)C)C#N","JHNNLYMRRIPTRR-ACCUITESSA-N",761283,NA,"PDBC35397","687552","Present",NA,NA
+"35398","Ethyl (E)-2-cyano-3-[5'-ethyl-6'-(1-hydroxyethyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-2-cyano-3-[5'-ethyl-6'-(1-hydroxyethyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]prop-2-enoate",NA,"CCC1=C(C=C2CC3(CC4=C(C3)C=C(C=C4)C=C(C#N)C(=O)OCC)CC2=C1)C(C)O","LOHWDPFXGRHSDR-PGGKNCGUSA-N",6477478,NA,"PDBC35398","670289","Present",NA,NA
+"35399","Ethyl (E)-2-cyano-3-[5-[6-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-ethoxy-1-naphthyl]-6-ethoxy-2-naphthyl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-2-cyano-3-[5-[6-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxynaphthalen-1-yl]-6-ethoxynaphthalen-2-yl]prop-2-enoate",NA,"CCOC1=C(C2=C(C=C1)C=C(C=C2)C=C(C#N)C(=O)OCC)C3=C(C=CC4=C3C=CC(=C4)C=C(C#N)C(=O)OCC)OCC","IQMVHKXLWWCKLA-MKYUKRCKSA-N",5470106,NA,"PDBC35399","697664","Present",NA,NA
+"35400","Ethyl (E)-2-hydroxy-3-nitro-3-(4-oxo-3H-phthalazin-1-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-2-hydroxy-3-nitro-3-(4-oxo-3H-phthalazin-1-yl)prop-2-enoate",NA,"CCOC(=O)C(=C(C1=NNC(=O)C2=CC=CC=C21)[N+](=O)[O-])O","NNGYUBQCBBTPLP-ZHACJKMWSA-N",135510052,NA,"PDBC35400","621747","Present",NA,NA
+"35401","Ethyl (E)-3-(2,4-dimethylphenyl)but-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-3-(2,4-dimethylphenyl)but-2-enoate",NA,"CCOC(=O)C=C(C)C1=C(C=C(C=C1)C)C","ABNFDZKNXPLYMC-FMIVXFBMSA-N",5387373,NA,"PDBC35401","622934","Present",NA,NA
+"35402","Ethyl (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-3-(2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoate",NA,"CCOC(=O)C=CC1=CNC(=O)NC1=O.CCOC(=O)C=CC1=CNC(=O)NC1=O","ZNUTWLSBZWFRBE-XOMXBQTJSA-N",54607042,NA,"PDBC35402","197201","Present",NA,NA
+"35403","Ethyl (E)-3-(4-chlorophenyl)-2-butenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5H-014",NA,"CCOC(=O)C=C(C)C1=CC=C(C=C1)Cl","WMMPVJPERVUHJT-CMDGGOBGSA-N",1478889,NA,"PDBC35403","622917","Present",NA,NA
+"35404","Ethyl (E)-3-(9-oxoacridin-10-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-3-(9-oxoacridin-10-yl)prop-2-enoate",NA,"CCOC(=O)C=CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31","LMVRUTREENWZFD-VAWYXSNFSA-N",5912027,NA,"PDBC35404","646648","Present",NA,NA
+"35405","Ethyl (E)-3-[(8R,9S,13S,14S)-17-bromo-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-16-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-3-[(8R,9S,13S,14S)-17-bromo-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-16-yl]prop-2-enoate",NA,"CCOC(=O)C=CC1=C(C2(CCC3C(C2C1)CCC4=C3C=CC(=C4)O)C)Br","LTACGCWGNUTJIK-OPEMHMKESA-N",5471034,NA,"PDBC35405","707573","Present",NA,NA
+"35406","Ethyl (E)-3-[1-(2-Acetyloxyethyl)cyclohexyl]-2-propenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-3-[1-(2-Acetyloxyethyl)cyclohexyl]-2-propenoate",NA,"CCOC(=O)C=CC1(CCCCC1)CCOC(=O)C","IODMYPBNCPDGCO-JXMROGBWSA-N",5468050,NA,"PDBC35406","663307","Present",NA,NA
+"35407","Ethyl (E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]prop-2-enoate",NA,"CCOC(=O)C(=CC1=CC=C(C=C1)N(CCC#N)CCC#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl","KAXZAIBYDGWOPZ-PXLXIMEGSA-N",6300338,NA,"PDBC35407","638226","Present",NA,NA
+"35408","Ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-3-[5-[(E)-3-ethoxy-3-oxo-prop-1-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate",NA,"CCOC(=O)C=CC1C(OC(O1)(C)C)C=CC(=O)OCC","KFNPAMUWPYXWQY-FIFLTTCUSA-N",5468983,NA,"PDBC35408","680768","Present",NA,NA
+"35409","Ethyl (E)-4-(1,3-dioxoisoindolin-2-yl)-3-phenyl-but-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-4-(1,3-dioxoisoindolin-2-yl)-3-phenyl-but-2-enoate",NA,"CCOC(=O)C=C(CN1C(=O)C2=CC=CC=C2C1=O)C3=CC=CC=C3","YLZCTLDJLZGRHB-QINSGFPZSA-N",5784864,NA,"PDBC35409","627077","Present",NA,NA
+"35410","Ethyl (E)-4-[[4-hydroxy-2-methylsulfanyl-6-[(3,4,5-triacetoxytetrahydropyran-2-yl)amino]pyrimidin-5-yl]amino]-2-oxo-pent-3-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-4-[[2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]-1H-pyrimidin-5-yl]amino]-2-oxopent-3-enoate",NA,"CCOC(=O)C(=O)C=C(C)NC1=C(N=C(NC1=O)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C","VDWTXJZOQPLDBK-CSKARUKUSA-N",135499313,NA,"PDBC35410","650996","Present",NA,NA
+"35411","Ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enoate",NA,"CCOC(=O)C=CCCO[Si](C)(C)C(C)(C)C","YJTKYXDVMNVKEC-CSKARUKUSA-N",5468981,NA,"PDBC35411","680764","Present",NA,NA
+"35412","Ethyl (E)-6-Acetyloxy-5,5-methyl-2-hexenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-6-Acetyloxy-5,5-methyl-2-hexenoate",NA,"CCOC(=O)C=CCC(C)(C)COC(=O)C","NUYQETDDWDLSRQ-VOTSOKGWSA-N",5468052,NA,"PDBC35412","663309","Present",NA,NA
+"35413","Ethyl (E)-7-Acetyloxy-5,5-dimethyl-2-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-7-Acetyloxy-5,5-dimethyl-2-heptenoate",NA,"CCOC(=O)C=CCC(C)(C)CCOC(=O)C","RMNXNRFUMFJXDX-VOTSOKGWSA-N",5468051,NA,"PDBC35413","663308","Present",NA,NA
+"35414","Ethyl (E)-7-Acetyloxy-6,6-dimethyl-2-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (E)-7-Acetyloxy-6,6-dimethyl-2-heptenoate",NA,"CCOC(=O)C=CCCC(C)(C)COC(=O)C","HHLLAKBQNCVPSC-SOFGYWHQSA-N",5468053,NA,"PDBC35414","663310","Present",NA,NA
+"35415","Ethyl (E)-N-ethoxycarbonylbenzenecarbohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680864",NA,"CCOC(=NNC(=O)OCC)C1=CC=CC=C1","WBCSZCXJIALXHD-ACCUITESSA-N",5466194,NA,"PDBC35415","680864","Present",NA,NA
+"35416","Ethyl (NE)-N-[3-oxo-4-(2-phenylhydrazinyl)naphthalen-2-ylidene]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (NE)-N-[3-oxo-4-(2-phenylhydrazinyl)naphthalen-2-ylidene]carbamate",NA,"CCOC(=O)NC1=CC2=CC=CC=C2C(=C1O)N=NC3=CC=CC=C3","GRKADAZUWRLCSL-UHFFFAOYSA-N",344237,NA,"PDBC35416","401033","Present",NA,NA
+"35417","Ethyl (NE)-N-[amino(benzylsulfanyl)methylidene]carbamate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622684",NA,"CCOC(=O)N=C(N)SCC1=CC=CC=C1.Cl","ZHSQHJFXVRNBQI-UHFFFAOYSA-N",6326623,NA,"PDBC35417","622684","Present",NA,NA
+"35418","Ethyl (NZ)-N-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (NZ)-N-[(5Z)-5-(dimethylcarbamothioylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene]carbamate",NA,"CCOC(=O)N=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=CC=C2","OCCPLNGXISLYIY-BNXAACBSSA-N",9569868,NA,"PDBC35418","622598","Present",NA,NA
+"35419","Ethyl (Z)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (Z)-2-(diethylamino)-3-[4-(dimethylamino)phenyl]prop-2-enoate",NA,"CCN(CC)C(=CC1=CC=C(C=C1)N(C)C)C(=O)OCC","XVPXRVPMLURFFP-SSZFMOIBSA-N",5351394,NA,"PDBC35419","643774","Present",NA,NA
+"35420","Ethyl (Z)-2-benzoyl-3-(1H-pyrrol-2-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-.alpha.-benzoyl-.beta-(2-pyrryl)-acrylate",NA,"CCOC(=O)C(=CC1=CC=CN1)C(=O)C2=CC=CC=C2","KOYOUOVADJXSRE-KAMYIIQDSA-N",6061753,NA,"PDBC35420","643151","Present",NA,NA
+"35421","Ethyl (Z)-2-benzoyl-3-(carbamothioylamino)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (Z)-2-benzoyl-3-(carbamothioylamino)prop-2-enoate",NA,"CCOC(=O)C(=C(C1=CC=CC=C1)O)C=NC(=S)N","NUTMJGVABFDBAM-OQYPFEDXSA-N",135409108,NA,"PDBC35421","658313","Present",NA,NA
+"35422","Ethyl (Z)-2-cyano-3-phenylsulfanylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617612",NA,"CCOC(=O)C(=CSC1=CC=CC=C1)C#N","KUYYTPLVSGNMKP-KTKRTIGZSA-N",5386771,NA,"PDBC35422","617612","Present",NA,NA
+"35423","Ethyl (Z)-2-iodo-3-(3,4,5-trimethoxyphenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (Z)-2-iodo-3-(3,4,5-trimethoxyphenyl)prop-2-enoate",NA,"CCOC(=O)C(=CC1=CC(=C(C(=C1)OC)OC)OC)I","LNVIVYFKOQNPQL-POHAHGRESA-N",5467081,NA,"PDBC35423","647361","Present",NA,NA
+"35424","Ethyl (Z)-3-(1,4-dihydroxynaphthalen-2-yl)sulfanylbut-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenoic acid, 3-[(1,3-dihydroxy-2-naphthalenyl)thio]-...",NA,"CCOC(=O)C=C(C)SC1=C(C2=CC=CC=C2C(=C1)O)O","ZWPCTBYNLWBREY-NTMALXAHSA-N",5358772,NA,"PDBC35424","278631","Present",NA,NA
+"35425","Ethyl (Z)-3-(benzylamino)-2-(3,4-dioxonaphthalen-1-yl)but-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (Z)-3-(benzylamino)-2-(3,4-dioxonaphthalen-1-yl)but-2-enoate",NA,"CCOC(=O)C(=C(C)NCC1=CC=CC=C1)C2=CC(=O)C(=O)C3=CC=CC=C32","YFADNQBSQLCXKO-QNGOZBTKSA-N",24203338,NA,"PDBC35425","727571","Present",NA,NA
+"35426","Ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (Z)-3-[(2R,3R,4R,5S)-3,4-diacetyloxy-2,4,5-trimethyloxolan-2-yl]-2-methylprop-2-enoate",NA,"CCOC(=O)C(=CC1(C(C(C(O1)C)(C)OC(=O)C)OC(=O)C)C)C","ATKWMARGMORDPP-ZXFOITDLSA-N",5471938,NA,"PDBC35426","715497","Present",NA,NA
+"35427","Ethyl (bis(1H-1,2,4-triazol-1-ylmethyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glycine, N,N-bis(1H-1,2,4-triazol-1-ylmethyl)-, ethyl ester",NA,"CCOC(=O)CN(CN1C=NC=N1)CN2C=NC=N2","BCHKJOWJWMFJOY-UHFFFAOYSA-N",357101,NA,"PDBC35427","614929","Present",NA,NA
+"35428","Ethyl (bis(tert-butoxycarbonyl)amino)((diphenylmethylene)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl (bis(tert-butoxycarbonyl)amino)((diphenylmethylene)amino)acetate",NA,"CCOC(=O)C(N=C(C1=CC=CC=C1)C2=CC=CC=C2)N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C","PIRMLDIQJQPLFJ-UHFFFAOYSA-N",362710,NA,"PDBC35428","626949","Present",NA,NA
+"35429","Ethyl (diethoxyphosphoryl)(3-thienyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl-(3-thiofuryl)-phosphono acetate",NA,"CCOC(=O)C(C1=CSC=C1)P(=O)(OCC)OCC","YHJVOYLCNBGMIZ-UHFFFAOYSA-N",370303,NA,"PDBC35429","643158","Present",NA,NA
+"35430","Ethyl 1,1,1,3,3,3-hexafluoropropan-2-yl methylphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL563263",NA,"CCOP(=O)(C)OC(C(F)(F)F)C(F)(F)F","FQHNNRDALXBALI-UHFFFAOYSA-N",383647,NA,"PDBC35430","672065","Present",NA,NA
+"35431","Ethyl 1,1,9-trioxo-3,6-dihydro-2H-thieno[2,3-f]quinoline-8-carboxylate; ethyl 1,1,5-trioxo-3,8-dihydro-2H-thieno[3,2-g]quinoline-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,1,9-trioxo-3,6-dihydro-2H-thieno[2,3-f]quinoline-8-carboxylate;ethyl 1,1,5-trioxo-3,8-dihydro-2H-thieno[3,2-g]quinoline-6-carboxylate",NA,"CCOC(=O)C1=CNC2=C(C1=O)C3=C(CCS3(=O)=O)C=C2.CCOC(=O)C1=CNC2=C(C1=O)C=C3CCS(=O)(=O)C3=C2","KMOKMDOPZMGJKP-UHFFFAOYSA-N",362773,NA,"PDBC35431","627054","Present",NA,NA
+"35432","Ethyl 1,14-dimethyl-3,5,9,11-tetraoxo-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,14-dimethyl-3,5,9,11-tetraoxo-4,10-dioxatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-13-carboxylate",NA,"CCOC(=O)C1=C(C2C3C(C1(C4C2C(=O)OC4=O)C)C(=O)OC3=O)C","SOZJKXQWYILNDF-UHFFFAOYSA-N",372069,NA,"PDBC35432","646935","Present",NA,NA
+"35433","Ethyl 1,2,2,3,3-pentacyanocyclopropane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,2,2,3,3-pentacyanocyclopropane-1-carboxylate",NA,"CCOC(=O)C1(C(C1(C#N)C#N)(C#N)C#N)C#N","MUWSMRWNYSBHDH-UHFFFAOYSA-N",394322,NA,"PDBC35433","697691","Present",NA,NA
+"35434","Ethyl 1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo(de,g)quinoline-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dibenzo[de,g]quinoline-6-carboxylic acid, 4,5-dihydro- 1...",NA,"CCOC(=O)N1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC","UBNQMQAKEHACQS-UHFFFAOYSA-N",285758,NA,"PDBC35434","143241","Present",NA,NA
+"35435","Ethyl 1,3-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[8,7-b][1,3]thiazine-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,3-dimethyl-2,4-dioxo-7,8-dihydro-6H-purino[8,7-b][1,3]thiazine-8-carboxylate",NA,"CCOC(=O)C1CCN2C3=C(N=C2S1)N(C(=O)N(C3=O)C)C","DYXWFBGACFOFDL-UHFFFAOYSA-N",362953,NA,"PDBC35435","627439","Present",NA,NA
+"35436","Ethyl 1,3-dimethyl-2,4-dioxo-8,9-dihydro-7H-purino[8,9-b][1,3]thiazine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,3-dimethyl-2,4-dioxo-8,9-dihydro-7H-purino[8,9-b][1,3]thiazine-7-carboxylate",NA,"CCOC(=O)C1CCN2C3=C(C(=O)N(C(=O)N3C)C)N=C2S1","UZIOKJLFXCBXTL-UHFFFAOYSA-N",362954,NA,"PDBC35436","627440","Present",NA,NA
+"35437","Ethyl 1,3-dimethyl-2,6-dioxo-10,11-diphenyl-1,2,3,6-tetrahydro-7H-4,5-ethanopurine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,4-dimethyl-3,5-dioxo-10,11-diphenyl-2,4,7,9-tetrazatricyclo[4.3.2.01,6]undec-8-ene-7-carboxylate",NA,"CCOC(=O)N1C=NC23C1(C(C2C4=CC=CC=C4)C5=CC=CC=C5)C(=O)N(C(=O)N3C)C","XKDZKJAXJPSBMV-UHFFFAOYSA-N",373976,NA,"PDBC35437","651008","Present",NA,NA
+"35438","Ethyl 1,4-dimethyl-3-phenylpyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GHCXKSUSPXYUSB-UHFFFAOYSA-N",NA,"CCOC(=O)C1=C(C(=CN1C)C)C2=CC=CC=C2","GHCXKSUSPXYUSB-UHFFFAOYSA-N",378982,NA,"PDBC35438","662574","Present",NA,NA
+"35439","Ethyl 1,4-dithiepane-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,4-dithiepane-6-carboxylate",NA,"CCOC(=O)C1CSCCSC1","JNZKSJFDJUBINC-UHFFFAOYSA-N",373722,NA,"PDBC35439","650624","Present",NA,NA
+"35440","Ethyl 1,5,2,4-dioxadithiepane-3-carboxylate 2,2,4,4-tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,5,2,4-dioxadithiepane-3-carboxylate 2,2,4,4-tetraoxide",NA,"CCOC(=O)C1S(=O)(=O)OCCOS1(=O)=O","JJLHEPUJIWLOHO-UHFFFAOYSA-N",372718,NA,"PDBC35440","648301","Present",NA,NA
+"35441","Ethyl 1,5,6-tricyano-2-imino-4,4-bis[(isopropylideneamino)oxy]-3-azabicyclo[3.1.0]hexane-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-amino-1,5,6-tricyano-4,4-bis[(propan-2-ylideneamino)oxy]-3-azabicyclo[3.1.0]hex-2-ene-6-carboxylate",NA,"CCOC(=O)C1(C2(C1(C(N=C2N)(ON=C(C)C)ON=C(C)C)C#N)C#N)C#N","LEVOJUHEUBDOIW-UHFFFAOYSA-N",394326,NA,"PDBC35441","697695","Present",NA,NA
+"35442","Ethyl 1,6-dioxo-4,6-dihydro-1H-pyrimido[1,2-a]quinazoline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1,6-dioxo-4,6-dihydro-1H-pyrimido[1,2-a]quinazoline-2-carboxylate",NA,"CCOC(=O)C1=CN=C2NC(=O)C3=CC=CC=C3N2C1=O","ASZSDGGDDFQQDG-UHFFFAOYSA-N",363577,NA,"PDBC35442","628556","Present",NA,NA
+"35443","Ethyl 1-(((1-chlorobutylidene)amino)oxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(((1-chlorobutylidene)amino)oxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,"CCCC(=NOC(C(F)(F)F)(C(F)(F)F)NC(=O)OCC)Cl","NFLHNXDXYISLOD-SWNXQHNESA-N",9556183,NA,"PDBC35443","672011","Present",NA,NA
+"35444","Ethyl 1-(((3-(ethoxycarbonyl)-2-phenyl-1-indolizinyl)(phenyl)methoxy)(phenyl)methyl)-2-phenyl-3-indolizinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-[[(3-ethoxycarbonyl-2-phenylindolizin-1-yl)-phenylmethoxy]-phenylmethyl]-2-phenylindolizine-3-carboxylate",NA,"CCOC(=O)C1=C(C(=C2N1C=CC=C2)C(C3=CC=CC=C3)OC(C4=CC=CC=C4)C5=C6C=CC=CN6C(=C5C7=CC=CC=C7)C(=O)OCC)C8=CC=CC=C8","QRVSDWPAVPWEAQ-UHFFFAOYSA-N",373623,NA,"PDBC35444","650271","Present",NA,NA
+"35445","Ethyl 1-(2,4-difluoroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(2,4-difluoroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C=C(C=C1)F)F","QQISRKQTAKOLBO-UHFFFAOYSA-N",383566,NA,"PDBC35445","671984","Present",NA,NA
+"35446","Ethyl 1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(2,6-difluorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazole-6-carboxylate",NA,"CCOC(=O)C1=CC2=C(C=C1)N3C(SCC3=N2)C4=C(C=CC=C4F)F","NBHGQRPGXCMAGM-UHFFFAOYSA-N",395890,NA,"PDBC35446","700985","Present",NA,NA
+"35447","Ethyl 1-(2,6-difluorophenyl)-1,3-dihydro-[1,3]thiazolo[3,4-a]benzimidazole-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(2,6-difluorophenyl)-1,3-dihydrothiazolo[4,3-b]benzimidazole-7-carboxylate",NA,"CCOC(=O)C1=CC2=C(C=C1)N=C3N2C(SC3)C4=C(C=CC=C4F)F","RSJYDJPPEQBFLX-UHFFFAOYSA-N",395889,NA,"PDBC35447","700984","Present",NA,NA
+"35448","Ethyl 1-(2-(2,4-bis(hydroxy(oxido)amino)phenyl)hydrazino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[2-(2,4-dinitrophenyl)hydrazino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]carbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","BGMZESBARBRCDX-UHFFFAOYSA-N",3765385,NA,"PDBC35448","672005","Present",NA,NA
+"35449","Ethyl 1-(2-(4-chlorophenyl)ethyl)-5-methyl-1H-imidazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(2-(4-chlorophenyl)ethyl)-5-methyl-1H-imidazole-4-carboxylate",NA,"CCOC(=O)C1=C(N(C=N1)CCC2=CC=C(C=C2)Cl)C","FJIKRWOKOHSXIQ-UHFFFAOYSA-N",383718,NA,"PDBC35449","672147","Present",NA,NA
+"35450","Ethyl 1-(2-(dimethylamino)ethoxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(2-(dimethylamino)ethoxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)OCCN(C)C","FVKTYQGBYYXORN-UHFFFAOYSA-N",383586,NA,"PDBC35450","672004","Present",NA,NA
+"35451","Ethyl 1-(2-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(2-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate",NA,"CCOC(=O)C1CCC(=O)N1C(=O)C2=CC=CC=C2Cl","NVYKEWPDWHYNTF-UHFFFAOYSA-N",386108,NA,"PDBC35451","677740","Present",NA,NA
+"35452","Ethyl 1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate",NA,"CCOC(=O)C1CCCN1C(=O)C2=CC=CC=C2Cl","BLSALMWZIDFLLY-UHFFFAOYSA-N",386111,NA,"PDBC35452","677743","Present",NA,NA
+"35453","Ethyl 1-(3,4-dimethoxybenzylidene)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(3,4-dimethoxybenzylidene)-6,7-dimethoxy-3,4-dihydro-2(1H)-isoquinolinecarboxylate",NA,"CCOC(=O)N1CCC2=CC(=C(C=C2C1=CC3=CC(=C(C=C3)OC)OC)OC)OC","HQORGKLZZSXVIA-WOJGMQOQSA-N",5387848,NA,"PDBC35453","628303","Present",NA,NA
+"35454","Ethyl 1-(3-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)-1H-1,2,4-triazol-1-yl)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[2-[3-[[2-(ethoxycarbonylamino)-1,1,1,3,3,3-hexafluoropropan-2-yl]amino]-1,2,4-triazol-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NN(C=N1)C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC","SZSPUNYSEQSZTI-UHFFFAOYSA-N",383592,NA,"PDBC35454","672010","Present",NA,NA
+"35455","Ethyl 1-(3-chloro-2-butenyl)-2-oxocyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(3-chloro-2-butenyl)-2-oxocyclopentanecarboxylate",NA,"CCOC(=O)C1(CCCC1=O)CC=C(C)Cl","VIWRVBZAJJBCCD-TWGQIWQCSA-N",5848037,NA,"PDBC35455","646206","Present",NA,NA
+"35456","Ethyl 1-(3-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(3-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate",NA,"CCOC(=O)C1CCC(=O)N1C(=O)C2=CC(=CC=C2)Cl","PRNCADBBQZRLHD-UHFFFAOYSA-N",386109,NA,"PDBC35456","677741","Present",NA,NA
+"35457","Ethyl 1-(3-chlorophenyl)-4-morpholin-4-yl-6-oxopyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(3-chlorophenyl)-4-morpholino-6-oxo-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N=CN(C1=O)C2=CC(=CC=C2)Cl)N3CCOCC3","DZSQUCMEFOQRRN-UHFFFAOYSA-N",396885,NA,"PDBC35457","703912","Present",NA,NA
+"35458","Ethyl 1-(3-ethoxy-1-methyl-2-propenyl)-2-oxocyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(3-ethoxy-1-methyl-2-propenyl)-2-oxocyclohexanecarboxylate",NA,"CCOC=CC(C)C1(CCCCC1=O)C(=O)OCC","CDIRTRKWIBIRGG-PKNBQFBNSA-N",5466980,NA,"PDBC35458","646197","Present",NA,NA
+"35459","Ethyl 1-(3-ethoxy-1-methyl-3-oxopropyl)-2-oxocyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(3-ethoxy-1-methyl-3-oxopropyl)-2-oxocyclohexanecarboxylate",NA,"CCOC(=O)CC(C)C1(CCCCC1=O)C(=O)OCC","TVYDXDDWHLWEDY-UHFFFAOYSA-N",371774,NA,"PDBC35459","646218","Present",NA,NA
+"35460","Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MOARFWIGPLNCFT-UHFFFAOYSA-N",NA,"CCOC(=O)CCC1(CCCCC1=O)C(=O)OCC","MOARFWIGPLNCFT-UHFFFAOYSA-N",371783,NA,"PDBC35460","646227","Present",NA,NA
+"35461","Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate",NA,"CCOC(=O)CCC1(CCCC1=O)C(=O)OCC","JROPNAGSHRQCNQ-UHFFFAOYSA-N",371775,NA,"PDBC35461","646219","Present",NA,NA
+"35462","Ethyl 1-(4-chloro-2-butenyl)-2-oxocyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(4-chloro-2-butenyl)-2-oxocyclopentanecarboxylate",NA,"CCOC(=O)C1(CCCC1=O)CC=CCCl","OZLXONPGYMUEBE-ONEGZZNKSA-N",5470126,NA,"PDBC35462","697874","Present",NA,NA
+"35463","Ethyl 1-(4-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(4-chlorobenzoyl)-5-oxopyrrolidine-2-carboxylate",NA,"CCOC(=O)C1CCC(=O)N1C(=O)C2=CC=C(C=C2)Cl","SMUDFKGEANGKHW-UHFFFAOYSA-N",386110,NA,"PDBC35463","677742","Present",NA,NA
+"35464","Ethyl 1-(4-chlorophenyl)-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(4-chlorophenyl)-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)C5=CC=C(C=C5)Cl)C","ORFLNEXNANZXDB-UHFFFAOYSA-N",405345,NA,"PDBC35464","722568","Present",NA,NA
+"35465","Ethyl 1-(4-chlorophenyl)-6,8-dimethyl-5-thioxo-5,6-dihydro-1H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(4-chlorophenyl)-6,8-dimethyl-5-thioxo-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate",NA,"CCOC(=O)C1=NN(C2=CC(=NN(C(=S)N21)C)C)C3=CC=C(C=C3)Cl","OMXQZTBNDKBAAX-UHFFFAOYSA-N",383796,NA,"PDBC35465","672296","Present",NA,NA
+"35466","Ethyl 1-(carbamoylamino)-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(carbamoylamino)-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C1(C(=O)CCC2)C)O)NC(=O)N)C","XYXQRAFHHCMRIC-UHFFFAOYSA-N",364552,NA,"PDBC35466","630972","Present",NA,NA
+"35467","Ethyl 1-(ethoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(ethoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)OCC)C","INIHSCFIFBHKBM-UHFFFAOYSA-N",365761,NA,"PDBC35467","633791","Present",NA,NA
+"35468","Ethyl 1-(sec-butylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-(sec-butylamino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,"CCC(C)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OCC","WJZOXONKGPTCRH-UHFFFAOYSA-N",383564,NA,"PDBC35468","671982","Present",NA,NA
+"35469","Ethyl 1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-[(2,4-dichlorophenyl)methyl]-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)CC5=C(C=C(C=C5)Cl)Cl)C","LOIJSVXBDXEENQ-UHFFFAOYSA-N",405349,NA,"PDBC35469","722572","Present",NA,NA
+"35470","Ethyl 1-[2-(1H-indol-3-yl)acetyl]piperidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-[2-(1H-indol-3-yl)acetyl]piperidine-2-carboxylate",NA,"CCOC(=O)C1CCCCN1C(=O)CC2=CNC3=CC=CC=C32","OQPSUIOBBWLHTJ-UHFFFAOYSA-N",396993,NA,"PDBC35470","704230","Present",NA,NA
+"35471","Ethyl 1-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-[2-(1H-indol-3-yl)ethyl]piperidine-2-carboxylate",NA,"CCOC(=O)C1CCCCN1CCC2=CNC3=CC=CC=C32","SCAHRQKAQXAADP-UHFFFAOYSA-N",396997,NA,"PDBC35471","704234","Present",NA,NA
+"35472","Ethyl 1-acetyl-3-hydroxy-2-(1H-indol-3-ylmethyl)piperidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-acetyl-3-hydroxy-2-(1H-indol-3-ylmethyl)piperidine-2-carboxylate",NA,"CCOC(=O)C1(C(CCCN1C(=O)C)O)CC2=CNC3=CC=CC=C32","PBCTUFWZRPYFQI-UHFFFAOYSA-N",392294,NA,"PDBC35472","692427","Present",NA,NA
+"35473","Ethyl 1-acetyl-3-oxo-furo[3,4-c]pyridine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-acetyl-3-oxo-furo[3,4-c]pyridine-1-carboxylate",NA,"CCOC(=O)C1(C2=C(C=NC=C2)C(=O)O1)C(=O)C","BMTBQIJPDQTRAB-UHFFFAOYSA-N",389474,NA,"PDBC35473","685682","Present",NA,NA
+"35474","Ethyl 1-amino-6-methyl-4-(4-methylphenyl)-2-thioxo-1, 3, 4-tetrahydropyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-amino-6-methyl-4-(4-methylphenyl)-2-thioxo-1, 2,...",NA,"CCOC(=O)C1=C(N(C(=S)NC1C2=CC=C(C=C2)C)N)C","GTGDCTHCJZCAPT-UHFFFAOYSA-N",24205057,NA,"PDBC35474","734132","Present",NA,NA
+"35475","Ethyl 1-aminocyclopropanecarboxylate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677920",NA,"CCOC(=O)C1(CC1)N.Cl","XFNUTZWASODOQK-UHFFFAOYSA-N",386203,NA,"PDBC35475","677920","Present",NA,NA
+"35476","Ethyl 1-benzoyl-3-(2-diazo-3-ethoxy-3-oxo-propanoyl)-2-oxo-pyrrolidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-benzoyl-3-(2-diazo-3-ethoxy-3-oxo-propanoyl)-2-oxo-pyrrolidine-3-carboxylate",NA,"CCOC(=O)C(=[N+]=[N-])C(=O)C1(CCN(C1=O)C(=O)C2=CC=CC=C2)C(=O)OCC","KFDXPJOPIFZGPG-UHFFFAOYSA-N",394461,NA,"PDBC35476","697935","Present",NA,NA
+"35477","Ethyl 1-benzoyl-3-cyano-2-[3-(ethoxymethyl)-2,4,6-trimethyl-phenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-benzoyl-3-cyano-2-[3-(ethoxymethyl)-2,4,6-trimethylphenyl]-2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3-carboxylate",NA,"CCOCC1=C(C(=C(C=C1C)C)C2C(N3C(C2(C#N)C(=O)OCC)C=CC4=CC=CC=C43)C(=O)C5=CC=CC=C5)C","TVISPYCTOPGGTB-UHFFFAOYSA-N",392991,NA,"PDBC35477","694233","Present",NA,NA
+"35478","Ethyl 1-benzoyl-5-oxo-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-benzoyl-5-oxo-2-pyrrolidinecarboxylate",NA,"CCOC(=O)C1CCC(=O)N1C(=O)C2=CC=CC=C2","IKTDZIVBRYDWBJ-UHFFFAOYSA-N",386107,NA,"PDBC35478","677739","Present",NA,NA
+"35479","Ethyl 1-benzyl-3-(cyanomethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-benzyl-3-(cyanomethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate",NA,"CCOC(=O)C1=C(N(C(=O)C1CC#N)CC2=CC=CC=C2)C","IMNLQMSFODLWLY-UHFFFAOYSA-N",360055,NA,"PDBC35479","621853","Present",NA,NA
+"35480","Ethyl 1-benzyl-3-methyl-4-oxo-1,5,7-tetrahydrothiopyrano[3,4-b]pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-benzyl-3-methyl-4-oxo-1,4,5,7-tetrahydrothiopyra...",NA,"CCOC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)CSCC2=O)C","OMAXOSOXZMIKSG-UHFFFAOYSA-N",54613702,NA,"PDBC35480","749884","Present",NA,NA
+"35481","Ethyl 1-benzyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-benzyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate",NA,"CCOC(=O)C1=C(N=CN(C1=S)CC2=CC=CC=C2)N3CCCC3","BQMDONQDSYIJSG-UHFFFAOYSA-N",385039,NA,"PDBC35481","675892","Present",NA,NA
+"35482","Ethyl 1-benzyl-5-hydroxy-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-benzyl-5-hydroxy-2-methyl-1,6,7,8,9,10-hexahydropyrrolo[3,2-c]carbazole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)CC5=CC=CC=C5)C","ZJOBYXVYSJBSSF-UHFFFAOYSA-N",404594,NA,"PDBC35482","720986","Present",NA,NA
+"35483","Ethyl 1-carbamoyl-2-(phenylcarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-carbamoyl-2-(phenylcarbamoylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate",NA,"CCOC(=O)C1=C(C(=C2N1CCCCC2)C(=O)N)NC(=O)NC3=CC=CC=C3","BJYOMSNPQNARNL-UHFFFAOYSA-N",394193,NA,"PDBC35483","697462","Present",NA,NA
+"35484","Ethyl 1-cyano-2-(ethylcarbamothioylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-cyano-2-(ethylcarbamothioylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate",NA,"CCNC(=S)NC1=C(N2CCCCCC2=C1C#N)C(=O)OCC","XHKNWHIWRDKLTG-UHFFFAOYSA-N",3005401,NA,"PDBC35484","697460","Present",NA,NA
+"35485","Ethyl 1-cyano-2-(methoxycarbonylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-cyano-2-(methoxycarbonylamino)-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate",NA,"CCOC(=O)C1=C(C(=C2N1CCCCC2)C#N)NC(=O)OC","ZYPIMMQXRPFYAF-UHFFFAOYSA-N",394190,NA,"PDBC35485","697459","Present",NA,NA
+"35486","Ethyl 1-cyano-3-oxo-1,3-dihydrofuro[3,4-c]pyridine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-cyano-3-oxo-1,3-dihydrofuro[3,4-c]pyridine-1-carboxylate",NA,"CCOC(=O)C1(C2=C(C=NC=C2)C(=O)O1)C#N","YXEZYFGYNMTGDW-UHFFFAOYSA-N",389475,NA,"PDBC35486","685683","Present",NA,NA
+"35487","Ethyl 1-cyano-4-hydroxy-3-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-cyano-4-hydroxy-3-(4-methoxybenzoyl)-4-(4-methoxyphenyl)-2,6-diphenylcyclohexanecarboxylate",NA,"CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC)(C4=CC=C(C=C4)OC)O)C5=CC=CC=C5)C#N","BGHIEYCQZOTSQR-UHFFFAOYSA-N",373624,NA,"PDBC35487","650293","Present",NA,NA
+"35488","Ethyl 1-cyano-4-hydroxy-3-(4-nitrobenzoyl)-4-(4-nitrophenyl)-2,6-diphenyl-cyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-cyano-4-hydroxy-3-(4-nitrobenzoyl)-4-(4-nitrophenyl)-2,6-diphenylcyclohexanecarboxylate",NA,"CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])(C4=CC=C(C=C4)[N+](=O)[O-])O)C5=CC=CC=C5)C#N","ZMKODGGEZAHVFQ-UHFFFAOYSA-N",373626,NA,"PDBC35488","650295","Present",NA,NA
+"35489","Ethyl 1-cyanocyclopropanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACT09013",NA,"CCOC(=O)C1(CC1)C#N","FDZLCIITHLSEQK-UHFFFAOYSA-N",380810,NA,"PDBC35489","666530","Present",NA,NA
+"35490","Ethyl 1-cyclopropyl-4-oxopiperidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-cyclopropyl-4-oxopiperidine-3-carboxylate",NA,"CCOC(=O)C1CN(CCC1=O)C2CC2","CYTHCMOPAYRQRJ-UHFFFAOYSA-N",388490,NA,"PDBC35490","683443","Present",NA,NA
+"35491","Ethyl 1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-hydroxy-4-oxo-2,5-cyclohexadien-1-acetate",NA,"CCOC(=O)CC1(C=CC(=O)C=C1)O","PCTPJULDTWCNKF-UHFFFAOYSA-N",100323,NA,"PDBC35491","658398","Present",NA,NA
+"35492","Ethyl 1-isocyanocyclopropane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH850540",NA,"CCOC(=O)C1(CC1)[N+]#[C-]","AGOFNLJNXSXUEM-UHFFFAOYSA-N",386202,NA,"PDBC35492","677918","Present",NA,NA
+"35493","Ethyl 1-methacryloyl-5-methoxy-2-indolinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XQYWHBBNUHKIJY-UHFFFAOYSA-N",NA,"CCOC(=O)C1CC2=C(N1C(=O)C(=C)C)C=CC(=C2)OC","XQYWHBBNUHKIJY-UHFFFAOYSA-N",354078,NA,"PDBC35493","604534","Present",NA,NA
+"35494","Ethyl 1-methyl-2,4-dioxo-3-prop-2-ynylquinoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-methyl-2,4-dioxo-3-(prop-2-yn-1-yl)-1,2,3,4-tetrahydroquinoline-3-carboxylate",NA,"CCOC(=O)C1(C(=O)C2=CC=CC=C2N(C1=O)C)CC#C","FBXJPBIYHAQSKH-UHFFFAOYSA-N",365757,NA,"PDBC35494","633786","Present",NA,NA
+"35495","Ethyl 1-methyl-3,4-diphenyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-methyl-3,4-diphenyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=CN1C)C2=CC=CC=C2)C3=CC=CC=C3","GVKIAERLQJXJRW-UHFFFAOYSA-N",378983,NA,"PDBC35495","662575","Present",NA,NA
+"35496","Ethyl 1-methyl-3-((1-methyl-3-oxo-3-phenyl-1-propenyl)amino)-1H-pyrazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-methyl-3-((1-methyl-3-oxo-3-phenyl-1-propenyl)amino)-1H-pyrazole-4-carboxylate",NA,"CCOC(=O)C1=CN(N=C1NC(=CC(=O)C2=CC=CC=C2)C)C","UABFEVGUKYDFCL-BENRWUELSA-N",5467777,NA,"PDBC35496","658999","Present",NA,NA
+"35497","Ethyl 1-methyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-methyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate",NA,"CCOC(=O)C1=C(N=CN(C1=S)C)N2CCCC2","XLDWLPLVQKBCCD-UHFFFAOYSA-N",385033,NA,"PDBC35497","675886","Present",NA,NA
+"35498","Ethyl 1-methyl-5-(2-thienyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-methyl-5-(2-thienyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC=C(N1C)C2=CC=CS2","CAXHDNDTNFKHBA-UHFFFAOYSA-N",384452,NA,"PDBC35498","674232","Present",NA,NA
+"35499","Ethyl 1-oxido-4-oxo-3-(thiolane-2-carbonyl)-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-oxido-4-oxo-3-(thiolane-2-carbonyl)-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate",NA,"CCOC(=O)C1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3CCCS3)C(F)(F)F)[O-]","RBOVXTWLIIRDMP-UHFFFAOYSA-N",60147999,NA,"PDBC35499","753428","Present",NA,NA
+"35500","Ethyl 1-phenyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-phenyl-4-(1-pyrrolidinyl)-6-thioxo-1,6-dihydro-5-pyrimidinecarboxylate",NA,"CCOC(=O)C1=C(N=CN(C1=S)C2=CC=CC=C2)N3CCCC3","GHARJEMDHDMXCF-UHFFFAOYSA-N",385036,NA,"PDBC35500","675889","Present",NA,NA
+"35501","Ethyl 10-acetyl-9-(2-oxopropyl)-7,9-dihydropyrido[1,2-a]perimidine-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 10-acetyl-9-(2-oxopropyl)-7,9-dihydropyrido[1,2-a]perimidine-8-carboxylate",NA,"CCOC(=O)C1=C2NC3=CC=CC4=C3C(=CC=C4)N2C=C(C1CC(=O)C)C(=O)C","ILTKWLLSSGRLGS-UHFFFAOYSA-N",395885,NA,"PDBC35501","700980","Present",NA,NA
+"35502","Ethyl 10-benzyl-11-methyl-2,9,14,17-tetraoxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,15-hexaene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 10-benzyl-11-methyl-2,9,14,17-tetraoxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,15-hexaene-12-carboxylate",NA,"CCOC(=O)C1=C(N(C(=O)C2=CC=CC=C2C(=O)C3=C1C(=O)C=CC3=O)CC4=CC=CC=C4)C","GSRKHGYQMQRJBL-UHFFFAOYSA-N",405262,NA,"PDBC35502","722398","Present",NA,NA
+"35503","Ethyl 10-benzyl-2,9-dihydroxy-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 10-benzyl-2,9-dihydroxy-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate",NA,"CCOC(=O)C1=C(N(C(=C2C=CC=CC2=C(C3=C1C(=O)C=CC3=O)O)O)CC4=CC=CC=C4)C","XZIXKRYYLJCWOM-UHFFFAOYSA-N",405260,NA,"PDBC35503","722396","Present",NA,NA
+"35504","Ethyl 10-methoxy-3,6-dioxo-1,5,6,10b-tetrahydro[1,3]oxazolo[4,3-a]isoquinoline-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 10-methoxy-3,6-dioxo-1,5,6,10b-tetrahydro[1,3]oxazolo[4,3-a]isoquinoline-5-carboxylate",NA,"CCOC(=O)C1C(=O)C2=C(C3N1C(=O)OC3)C(=CC=C2)OC","UWYGEPYCQZYPEY-UHFFFAOYSA-N",372839,NA,"PDBC35504","648497","Present",NA,NA
+"35505","Ethyl 10-oxo-4-thia-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 10-oxo-4-thia-1,6-diazatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-12-carboxylate",NA,"CCOC(=O)C1=CC(=O)C2=C3N1CCSC3=NC=C2","ZIHCNPUPILEVGJ-UHFFFAOYSA-N",394841,NA,"PDBC35505","698693","Present",NA,NA
+"35506","Ethyl 10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 10-oxo-4-thia-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),11-tetraene-12-carboxylate",NA,"CCOC(=O)C1=CC(=O)C2=C3N1CCSC3=CC=C2","GJGLPYPUMLLUAX-UHFFFAOYSA-N",394842,NA,"PDBC35506","698694","Present",NA,NA
+"35507","Ethyl 11-(4-chlorophenyl)-8,10-diphenyl-8,11-dihydropyrazolo[4',3':5,6]pyrano[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 16-(4-chlorophenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene-4-carboxylate",NA,"CCOC(=O)C1=NN2C=NC3=C(C2=N1)C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl","DPRJQEGEYJLPKK-UHFFFAOYSA-N",391835,NA,"PDBC35507","691423","Present",NA,NA
+"35508","Ethyl 11-chloro-13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 7-chloro-9-(3,5-dimethoxybenzyl)-4,5,6,9-tetrahydr...",NA,"CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC(=C3)OC)OC)C4=C(CCC2)C=NO4)Cl","WHDPXWXZHKFJQL-UHFFFAOYSA-N",155808208,NA,"PDBC35508","766939","Present",NA,NA
+"35509","Ethyl 11-methyl-10-(4-methylphenyl)-2,9,14,17-tetraoxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,15-hexaene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 11-methyl-10-(4-methylphenyl)-2,9,14,17-tetraoxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),3,5,7,11,15-hexaene-12-carboxylate",NA,"CCOC(=O)C1=C(N(C(=O)C2=CC=CC=C2C(=O)C3=C1C(=O)C=CC3=O)C4=CC=C(C=C4)C)C","ZEFQGCAVAOUOKI-UHFFFAOYSA-N",406012,NA,"PDBC35509","723892","Present",NA,NA
+"35510","Ethyl 11-oxo-11H-imidazo[1,2-a]thiochromeno[2,3-e]pyridine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxylate",NA,"CCOC(=O)C1=CN2C(=N1)C=CC3=C2C(=O)C4=CC=CC=C4S3","QLBPHWVCKXQXKX-UHFFFAOYSA-N",385054,NA,"PDBC35510","675983","Present",NA,NA
+"35511","Ethyl 11-oxo-11H-naphtho[1',2':4,5][1,3]thiazolo[3,2-a]pyrimidine-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 11-oxo-11H-naphtho[1',2':4,5][1,3]thiazolo[3,2-a]pyrimidine-10-carboxylate",NA,"CCOC(=O)C1=CN=C2N(C1=O)C3=C(S2)C=CC4=CC=CC=C43","JRKWFLJZWMARMT-UHFFFAOYSA-N",364993,NA,"PDBC35511","631902","Present",NA,NA
+"35512","Ethyl 11-oxo-9,10-dihydro-7H-pyrido[1,2-a]perimidine-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 11-oxo-9,10-dihydro-7H-pyrido[1,2-a]perimidine-8-carboxylate",NA,"CCOC(=O)C1=C2NC3=CC=CC4=C3C(=CC=C4)N2C(=O)CC1","AYMDOOMVDUNAQF-UHFFFAOYSA-N",395886,NA,"PDBC35512","700981","Present",NA,NA
+"35513","Ethyl 11-oxo-9-phenyl-9,10-dihydro-7H-pyrido[1,2-a]perimidine-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 11-oxo-9-phenyl-9,10-dihydro-7H-pyrido[1,2-a]perimidine-8-carboxylate",NA,"CCOC(=O)C1=C2NC3=CC=CC4=C3C(=CC=C4)N2C(=O)CC1C5=CC=CC=C5","CKUSLIVKOFRVGQ-UHFFFAOYSA-N",394284,NA,"PDBC35513","697650","Present",NA,NA
+"35514","Ethyl 12-cyanoindolizino[2,3-b]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 12-cyanoindolizino[2,3-b]quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=CC2=C(C3=NC4=CC=CC=C4N=C3N2C=C1)C#N","GRTRAKWBMNSBMA-UHFFFAOYSA-N",375026,NA,"PDBC35514","653852","Present",NA,NA
+"35515","Ethyl 13,14-dimethyltricyclo[9.4.0.02,7]pentadeca-2,4,6,13-tetraene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 13,14-dimethyltricyclo[9.4.0.02,7]pentadeca-2,4,6,13-tetraene-1-carboxylate",NA,"CCOC(=O)C12CC(=C(CC1CCCC3=CC=CC=C23)C)C","ZXQVMOSXILCBRL-UHFFFAOYSA-N",402683,NA,"PDBC35515","716869","Present",NA,NA
+"35516","Ethyl 13-[(2-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 9-(2-methoxybenzyl)-4,5,6,9-tetrahydropyrrolo[2',3...",NA,"CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3OC)C4=C(CCC2)C=NO4","RCNUWMKOEMRRAZ-UHFFFAOYSA-N",155811364,NA,"PDBC35516","766927","Present",NA,NA
+"35517","Ethyl 13-[(3,4,5-trimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 9-(3,4,5-dimethoxybenzyl)-4,5,6,9-tetrahydropyrrol...",NA,"CCOC(=O)C1=CC2=C(N1CC3=CC(=C(C(=C3)OC)OC)OC)C4=C(CCC2)C=NO4","PUIFMIHPKBIRQC-UHFFFAOYSA-N",155808214,NA,"PDBC35517","766929","Present",NA,NA
+"35518","Ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 9-(3,5-dimethoxybenzyl)-4,5,6,9-tetrahydropyrrolo[...",NA,"CCOC(=O)C1=CC2=C(N1CC3=CC(=CC(=C3)OC)OC)C4=C(CCC2)C=NO4","YNGBQIFIRITUMH-UHFFFAOYSA-N",155809962,NA,"PDBC35518","766978","Present",NA,NA
+"35519","Ethyl 13-[(3-methoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 9-(3-methoxybenzyl)-4,5,6,9-tetrahydropyrrolo[2',3...",NA,"CCOC(=O)C1=CC2=C(N1CC3=CC(=CC=C3)OC)C4=C(CCC2)C=NO4","BQNVMWNKOWFTHG-UHFFFAOYSA-N",155811370,NA,"PDBC35519","766977","Present",NA,NA
+"35520","Ethyl 13-benzyl-11-chloro-3-oxa-4,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,11-tetraene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 9-benzyl-7-chloro-4,5,6,9-tetrahydropyrrolo[2',3':...",NA,"CCOC(=O)C1=C(C2=C(N1CC3=CC=CC=C3)C4=C(CCC2)C=NO4)Cl","XFRCWADOUXNVLL-UHFFFAOYSA-N",155805049,NA,"PDBC35520","766937","Present",NA,NA
+"35521","Ethyl 13-benzyl-3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 13-benzyl-3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C(=N3)CC5=CC=CC=C5)CC6=C(C=C(C=C6)Cl)Cl)C","NHSQVWLRUSFVJT-UHFFFAOYSA-N",45028046,NA,"PDBC35521","740842","Present",NA,NA
+"35522","Ethyl 15-(4-chlorophenyl)-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 15-(4-chlorophenyl)-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)C5=CC=C(C=C5)Cl)C","KILWIVAYAKIZIW-UHFFFAOYSA-N",404600,NA,"PDBC35522","720992","Present",NA,NA
+"35523","Ethyl 15-[(2,4-dichlorophenyl)methyl]-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 15-[(2,4-dichlorophenyl)methyl]-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)CC5=C(C=C(C=C5)Cl)Cl)C","KMMRSCMIHXNJOU-UHFFFAOYSA-N",24203200,NA,"PDBC35523","727112","Present",NA,NA
+"35524","Ethyl 15-benzyl-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 15-benzyl-9,14-dihydroxy-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)CC5=CC=CC=C5)C","BXTNJRVOVQGUCS-UHFFFAOYSA-N",405259,NA,"PDBC35524","722395","Present",NA,NA
+"35525","Ethyl 16-(3,4-dimethoxyphenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 16-(3,4-dimethoxyphenyl)-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene-4-carboxylate",NA,"CCOC(=O)C1=NN2C=NC3=C(C2=N1)C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC(=C(C=C7)OC)OC","SALXCIKFZLQXAQ-UHFFFAOYSA-N",391836,NA,"PDBC35525","691424","Present",NA,NA
+"35526","Ethyl 16-(4-chlorophenyl)-4-oxo-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,7,11(15),13-pentaene-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 16-(4-chlorophenyl)-4-oxo-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,7,11(15),13-pentaene-5-carboxylate",NA,"CCOC(=O)N1C(=O)N=C2N1C=NC3=C2C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl","DLJFFTTUXUQWQC-UHFFFAOYSA-N",391837,NA,"PDBC35526","691425","Present",NA,NA
+"35527","Ethyl 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluoroanilino)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2,2-trifluoro-1-(2,3,4,5,6-pentafluoroanilino)-1-(trifluoromethyl)ethylcarbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C(=C(C(=C1F)F)F)F)F","QCXBFXFWPIOAPP-UHFFFAOYSA-N",383562,NA,"PDBC35527","671980","Present",NA,NA
+"35528","Ethyl 2,2,2-trifluoro-1-(2-pyrimidinylamino)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2,2-trifluoro-1-(2-pyrimidinylamino)-1-(trifluoromethyl)ethylcarbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=CC=N1","LXVIRNFYZXYNHX-UHFFFAOYSA-N",383573,NA,"PDBC35528","671991","Present",NA,NA
+"35529","Ethyl 2,2,2-trifluoro-1-(4-(hydroxy(oxido)amino)anilino)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2,2-trifluoro-1-(4-(hydroxy(oxido)amino)anilino)-1-(trifluoromethyl)ethylcarbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)[N+](=O)[O-]","ANVKUTZUSCJLKL-UHFFFAOYSA-N",383558,NA,"PDBC35529","671976","Present",NA,NA
+"35530","Ethyl 2,2,2-trifluoro-1-(4-(trifluoromethoxy)anilino)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2,2-trifluoro-1-(4-(trifluoromethoxy)anilino)-1-(trifluoromethyl)ethylcarbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)OC(F)(F)F","XTBZVPNOOITMCM-UHFFFAOYSA-N",383565,NA,"PDBC35530","671983","Present",NA,NA
+"35531","Ethyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)C","QEPJNSZTGVBMQV-UHFFFAOYSA-N",383554,NA,"PDBC35531","671972","Present",NA,NA
+"35532","Ethyl 2,2,2-trifluoro-1-(trifluoromethyl)-1-(3-(trifluoromethyl)anilino)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2,2-trifluoro-1-(trifluoromethyl)-1-(3-(trifluoromethyl)anilino)ethylcarbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC(=C1)C(F)(F)F","ZJHPSFQNAOXSMX-UHFFFAOYSA-N",383561,NA,"PDBC35532","671979","Present",NA,NA
+"35533","Ethyl 2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethylcarbamate",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)OC","HZCKHLMRHWVCEQ-UHFFFAOYSA-N",383556,NA,"PDBC35533","671974","Present",NA,NA
+"35534","Ethyl 2,2,2-tris(1H-indol-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2,2-tris(1H-indol-3-yl)acetate",NA,"CCOC(=O)C(C1=CNC2=CC=CC=C21)(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65","FDEKHRAEASSFIG-UHFFFAOYSA-N",400277,NA,"PDBC35534","711811","Present",NA,NA
+"35535","Ethyl 2,2,4-triethoxy-6-oxospiro[7-oxabicyclo[2.2.1]heptane-5,1'-cyclopropane]-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2,4-triethoxy-6-oxospiro[7-oxabicyclo[2.2.1]heptane-5,1'-cyclopropane]-1-carboxylate",NA,"CCOC(=O)C12C(=O)C3(CC3)C(O1)(CC2(OCC)OCC)OCC","QJLOOONEUDYYTN-UHFFFAOYSA-N",394463,NA,"PDBC35535","697936","Present",NA,NA
+"35536","Ethyl 2,2-bis(1-methyl-1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2-bis(1-methyl-1H-indol-3-yl)propanoate",NA,"CCOC(=O)C(C)(C1=CN(C2=CC=CC=C21)C)C3=CN(C4=CC=CC=C43)C","ADERMOWTTYJYRP-UHFFFAOYSA-N",362919,NA,"PDBC35536","627394","Present",NA,NA
+"35537","Ethyl 2,2-bis(2-methyl-1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2-bis(2-methyl-1H-indol-3-yl)propanoate",NA,"CCOC(=O)C(C)(C1=C(NC2=CC=CC=C21)C)C3=C(NC4=CC=CC=C43)C","NCXIIPCDUJPFDG-UHFFFAOYSA-N",362920,NA,"PDBC35537","627395","Present",NA,NA
+"35538","Ethyl 2,2-bis(naphthalen-2-ylmethyl)-3-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2-bis(naphthalen-2-ylmethyl)-3-oxobutanoate",NA,"CCOC(=O)C(CC1=CC2=CC=CC=C2C=C1)(CC3=CC4=CC=CC=C4C=C3)C(=O)C","FELZNIBPNQPTJT-UHFFFAOYSA-N",360280,NA,"PDBC35538","622304","Present",NA,NA
+"35539","Ethyl 2,2-difluoro-1-(trifluoromethyl)vinyl(methyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2-difluoro-1-(trifluoromethyl)vinyl(methyl)carbamate",NA,"CCOC(=O)N(C)C(=C(F)F)C(F)(F)F","PLGZDWIMJGCHPX-UHFFFAOYSA-N",382490,NA,"PDBC35539","670096","Present",NA,NA
+"35540","Ethyl 2,2-dimethyl-4-oxocyclobutanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,2-dimethyl-4-oxocyclobutanecarboxylate",NA,"CCOC(=O)C1C(=O)CC1(C)C","QPSMOCZQGIOYRJ-UHFFFAOYSA-N",379173,NA,"PDBC35540","663585","Present",NA,NA
+"35541","Ethyl 2,3,4,5-tetraphenyl-2,4-cyclopentadiene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,3,4,5-tetraphenyl-2,4-cyclopentadiene-1-carboxylate",NA,"CCOC(=O)C1C(=C(C(=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","JNDCAELWRTYTCS-UHFFFAOYSA-N",363825,NA,"PDBC35541","629041","Present",NA,NA
+"35542","Ethyl 2,3,5-trimethyl-2,3-dihydro-1-benzazepine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,3,5-trimethyl-2,3-dihydro-1H-1-benzazepine-1-carboxylate",NA,"CCOC(=O)N1C(C(C=C(C2=CC=CC=C21)C)C)C","USEQSQVGPKPOHD-UHFFFAOYSA-N",379688,NA,"PDBC35542","664563","Present",NA,NA
+"35543","Ethyl 2,3-dimethyl-2-vinyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,3-dimethyl-2-vinyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate",NA,"CCOC(=O)N1CCC2(CC1)OC(C(O2)(C)C=C)C","NRWRWRMPEGJCID-UHFFFAOYSA-N",395102,NA,"PDBC35543","699393","Present",NA,NA
+"35544","Ethyl 2,3-dioxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,3-dioxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-1-carboxylate",NA,"CCOC(=O)C1C2C3=C(CCN2C(=O)C1=O)C4=CC=CC=C4N3","HCDOZZPIPLYWPW-UHFFFAOYSA-N",372205,NA,"PDBC35544","647156","Present",NA,NA
+"35545","Ethyl 2,7-diamino-3,4-dicyano-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 2,7-diamino-3,4-dicyano-5-(4-methoxyphenyl)H-pyraz...",NA,"CCOC(=O)C1=C(N2C(=C(C(=N2)N)C#N)C(=C1C3=CC=C(C=C3)OC)C#N)N","OBHKFPUJRGVAJS-UHFFFAOYSA-N",155815855,NA,"PDBC35545","798758","Present",NA,NA
+"35546","Ethyl 2,8-dibenzyl-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,8-dibenzyl-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)NC(=N3)CC4=CC=CC=C4)CC5=CC=CC=C5)C","HYVYPMUFAUCFPT-UHFFFAOYSA-N",45028042,NA,"PDBC35546","740838","Present",NA,NA
+"35547","Ethyl 2,8-dibenzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,8-dibenzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=C(N3)CC4=CC=CC=C4)CC5=CC=CC=C5)C","CGMCVMQJWVDELE-UHFFFAOYSA-N",45028043,NA,"PDBC35547","740839","Present",NA,NA
+"35548","Ethyl 2,9-dihydroxy-10-[(4-methoxyphenyl)methyl]-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,9-dihydroxy-10-[(4-methoxyphenyl)methyl]-11-methyl-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate",NA,"CCOC(=O)C1=C(N(C(=C2C=CC=CC2=C(C3=C1C(=O)C=CC3=O)O)O)CC4=CC=C(C=C4)OC)C","AVGSWJOBMUKZNJ-UHFFFAOYSA-N",135585427,NA,"PDBC35548","727110","Present",NA,NA
+"35549","Ethyl 2,9-dihydroxy-11-methyl-10-(4-methylphenyl)-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2,9-dihydroxy-11-methyl-10-(4-methylphenyl)-14,17-dioxo-10-azatricyclo[11.4.0.03,8]heptadeca-1(13),2,4,6,8,11,15-heptaene-12-carboxylate",NA,"CCOC(=O)C1=C(N(C(=C2C=CC=CC2=C(C3=C1C(=O)C=CC3=O)O)O)C4=CC=C(C=C4)C)C","GIDQKYQHSDVNRD-UHFFFAOYSA-N",406010,NA,"PDBC35549","723890","Present",NA,NA
+"35550","Ethyl 2-(((3,4-dichloroanilino)carbonyl)amino)-3,3,3-trifluoropropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(((3,4-dichloroanilino)carbonyl)amino)-3,3,3-trifluoropropanoate",NA,"CCOC(=O)C(C(F)(F)F)NC(=O)NC1=CC(=C(C=C1)Cl)Cl","XXFDIRNZDDTXKF-UHFFFAOYSA-N",383650,NA,"PDBC35550","672068","Present",NA,NA
+"35551","Ethyl 2-(((benzyloxy)carbonyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z-Gly-OEt",NA,"CCOC(=O)CNC(=O)OCC1=CC=CC=C1","HAIHOTOFCDNWDA-UHFFFAOYSA-N",14366,NA,"PDBC35551","617251","Present",NA,NA
+"35552","Ethyl 2-(((trifluoromethyl)sulfonyl)oxy)cyclohex-1-enecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACT07855",NA,"CCOC(=O)C1=C(CCCC1)OS(=O)(=O)C(F)(F)F","VWIUHGUFSGOXDX-UHFFFAOYSA-N",394599,NA,"PDBC35552","698179","Present",NA,NA
+"35553","Ethyl 2-((1-adamantylamino)carbonyl)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((1-adamantylamino)carbonyl)hydrazinecarboxylate",NA,"CCOC(=O)NNC(=O)NC12CC3CC(C1)CC(C3)C2","PCCDPHCNTKJXQU-UHFFFAOYSA-N",360487,NA,"PDBC35553","622621","Present",NA,NA
+"35554","Ethyl 2-((2-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((2-(4-chlorophenyl)-4-oxo-4H-chromen-7-yl)oxy)-2-methylpropanoate",NA,"CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=C(C=C3)Cl","MKTKOOLJSCRZGC-UHFFFAOYSA-N",373056,NA,"PDBC35554","648888","Present",NA,NA
+"35555","Ethyl 2-((3,4-bis(4-chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((3,4-bis(4-chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate",NA,"CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl","WTIYUMAXMMULOQ-UHFFFAOYSA-N",373066,NA,"PDBC35555","648898","Present",NA,NA
+"35556","Ethyl 2-((3,4-dichlorophenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((3,4-dichlorophenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1C(=NC(=NC2=CC(=C(C=C2)Cl)Cl)S1)C","KJBNRWAVJKJRJE-UHFFFAOYSA-N",364797,NA,"PDBC35556","631556","Present",NA,NA
+"35557","Ethyl 2-((3,4-dimethoxyphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((3,4-dimethoxyphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1C(=NC(=NC2=CC(=C(C=C2)OC)OC)S1)C","HPVMYCFHJLKQJK-UHFFFAOYSA-N",365862,NA,"PDBC35557","633937","Present",NA,NA
+"35558","Ethyl 2-((3,4-dimethylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((3,4-dimethylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1C(=NC(=NC2=CC(=C(C=C2)C)C)S1)C","BCBCFUMDROAYLO-UHFFFAOYSA-N",364297,NA,"PDBC35558","630314","Present",NA,NA
+"35559","Ethyl 2-((3-(4-chlorophenyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((3-(4-chlorophenyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate",NA,"CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C3=CC=C(C=C3)Cl)C","PYVKTIMKUAWJIG-UHFFFAOYSA-N",373064,NA,"PDBC35559","648896","Present",NA,NA
+"35560","Ethyl 2-((3-acetyl-2-phenyl-1,3-thiazolidin-4-yl)carbonyl)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((3-acetyl-2-phenyl-1,3-thiazolidin-4-yl)carbonyl)hydrazinecarboxylate",NA,"CCOC(=O)NNC(=O)C1CSC(N1C(=O)C)C2=CC=CC=C2","PVAXZHBYAYNHQC-UHFFFAOYSA-N",381978,NA,"PDBC35560","669298","Present",NA,NA
+"35561","Ethyl 2-((3-chloro-2-methylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((3-chloro-2-methylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1C(=NC(=NC2=C(C(=CC=C2)Cl)C)S1)C","GAOUOZFCGUZWIH-UHFFFAOYSA-N",365861,NA,"PDBC35561","633936","Present",NA,NA
+"35562","Ethyl 2-((4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((4-(2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate",NA,"CCOC(=O)C(=C(C)O)N=NC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C","RLEDGOMFJBBHQZ-OXSVKWCJSA-N",135494007,NA,"PDBC35562","691084","Present",NA,NA
+"35563","Ethyl 2-((4-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((4-(4-chlorophenyl)-2-oxo-2H-chromen-7-yl)oxy)-2-methylpropanoate",NA,"CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=C(C=C3)Cl","BMEKUDNQMFCMBR-UHFFFAOYSA-N",373067,NA,"PDBC35563","648899","Present",NA,NA
+"35564","Ethyl 2-((4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((4-(6-bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hydrazono)-3-oxobutanoate",NA,"CCOC(=O)C(=C(C)O)N=NC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C","OXVWOUXDAFACLY-PGKDKAIYSA-N",135494008,NA,"PDBC35564","691085","Present",NA,NA
+"35565","Ethyl 2-((4-(aminosulfonyl)phenyl)diazenyl)-3-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 3-oxo-2-[(E)-(4-sulfamoylphenyl)azo]butanoate",NA,"CCOC(=O)C(C(=O)C)N=NC1=CC=C(C=C1)S(=O)(=O)N","OPFIYHKEUYUKOO-UHFFFAOYSA-N",372591,NA,"PDBC35565","647952","Present",NA,NA
+"35566","Ethyl 2-((4-chloro-2-methylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((4-chloro-2-methylphenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1C(=NC(=NC2=C(C=C(C=C2)Cl)C)S1)C","RVOCTVRDKYDJES-UHFFFAOYSA-N",365881,NA,"PDBC35566","633958","Present",NA,NA
+"35567","Ethyl 2-((4-chlorophenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((4-chlorophenyl)imino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1C(=NC(=NC2=CC=C(C=C2)Cl)S1)C","LOZSLWPMGHHHHK-UHFFFAOYSA-N",365853,NA,"PDBC35567","633927","Present",NA,NA
+"35568","Ethyl 2-((4-methyl-8-quinolinyl)amino)cyclohepta[b]pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((4-methyl-8-quinolinyl)amino)cyclohepta[b]pyrrole-3-carboxylate",NA,"CCOC(=O)C1=C(N=C2C1=CC=CC=C2)NC3=CC=CC4=C(C=CN=C43)C","CDXOTVJYUVXZCH-UHFFFAOYSA-N",379126,NA,"PDBC35568","663402","Present",NA,NA
+"35569","Ethyl 2-((4-methylphenyl)sulfonyl)cyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((4-methylphenyl)sulfonyl)cyclopentanecarboxylate",NA,"CCOC(=O)C1CCCC1S(=O)(=O)C2=CC=C(C=C2)C","WPQMOYNOQAGPAW-UHFFFAOYSA-N",382191,NA,"PDBC35569","669650","Present",NA,NA
+"35570","Ethyl 2-((5-((2-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((5-((2-methoxyphenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate",NA,"CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3OC","IJHBOLYIWIMYFD-UHFFFAOYSA-N",373873,NA,"PDBC35570","650836","Present",NA,NA
+"35571","Ethyl 2-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoate",NA,"CCOC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","CYRGUIBVDJAYKQ-UHFFFAOYSA-N",373874,NA,"PDBC35571","650837","Present",NA,NA
+"35572","Ethyl 2-((9-((2-ethoxy-1-(mercaptomethyl)-2-oxoethyl)amino)-9-oxononanoyl)amino)-3-mercaptopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[9-[(1-ethoxy-1-oxo-3-sulfanylpropan-2-yl)amino]-9-oxononanoyl]amino]-3-sulfanylpropanoate",NA,"CCOC(=O)C(CS)NC(=O)CCCCCCCC(=O)NC(CS)C(=O)OCC","YOUGFGUJHKKGIB-UHFFFAOYSA-N",393119,NA,"PDBC35572","694519","Present",NA,NA
+"35573","Ethyl 2-((anilinocarbonyl)amino)-2-(3-chloroanilino)-3,3,3-trifluoropropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((anilinocarbonyl)amino)-2-(3-chloroanilino)-3,3,3-trifluoropropanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC(=CC=C1)Cl)NC(=O)NC2=CC=CC=C2","XZMWITQCEZCTCO-UHFFFAOYSA-N",383660,NA,"PDBC35573","672078","Present",NA,NA
+"35574","Ethyl 2-((isopropylamino)carbonyl)-1-phenylhydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-((isopropylamino)carbonyl)-1-phenylhydrazinecarboxylate",NA,"CCOC(=O)N(C1=CC=CC=C1)NC(=O)NC(C)C","BZBGEHIOJOHMRL-UHFFFAOYSA-N",390100,NA,"PDBC35574","687043","Present",NA,NA
+"35575","Ethyl 2-((phenylsulfonyl)methyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IPHGVOCQEKWURA-UHFFFAOYSA-N",NA,"CCOC(=O)C(=C)CS(=O)(=O)C1=CC=CC=C1","IPHGVOCQEKWURA-UHFFFAOYSA-N",361163,NA,"PDBC35575","623994","Present",NA,NA
+"35576","Ethyl 2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)propanoate",NA,"CCOC(=O)C(C)N1C(=O)C2=CC=CC=C2S1(=O)=O","TXBFNFLCFHGZDN-UHFFFAOYSA-N",244445,NA,"PDBC35576","55355","Present",NA,NA
+"35577","Ethyl 2-(1,3-dimethyl-4,6-dioxo-2-phenyl-pyrrolo[3,4-c]pyrrol-5-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(1,3-dimethyl-4,6-dioxo-2-phenyl-pyrrolo[3,4-c]pyrrol-5-yl)acetate",NA,"CCOC(=O)CN1C(=O)C2=C(N(C(=C2C1=O)C)C3=CC=CC=C3)C","CVVMDDORQDGEJN-UHFFFAOYSA-N",389008,NA,"PDBC35577","684446","Present",NA,NA
+"35578","Ethyl 2-(1-adamantylcarbamoylamino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC 9106",NA,"CCOC(=O)CNC(=O)NC12CC3CC(C1)CC(C3)C2","SPJFEYSTYQLXJT-UHFFFAOYSA-N",308223,NA,"PDBC35578","208914","Present",NA,NA
+"35579","Ethyl 2-(1-benzoylpiperidin-4-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIBSDXWBPGZTKL-UHFFFAOYSA-N",NA,"CCOC(=O)C=C1CCN(CC1)C(=O)C2=CC=CC=C2","BIBSDXWBPGZTKL-UHFFFAOYSA-N",358294,NA,"PDBC35579","618236","Present",NA,NA
+"35580","Ethyl 2-(1-benzyl-2-ethenylpyrrolidin-1-ium-1-yl)acetate;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-2-ethenyl-1-(2-ethoxy-2-oxoethyl)pyrrolidinium bromide",NA,"CCOC(=O)C[N+]1(CCCC1C=C)CC2=CC=CC=C2.[Br-]","XYBKOUDTOVPHKR-UHFFFAOYSA-M",376268,NA,"PDBC35580","656975","Present",NA,NA
+"35581","Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclohexene-1-carboxylate",NA,"CCC(C(OCC)OC1=C(CCCC1)C(=O)OCC)[Se]C2=CC=CC=C2","HUESDWACWGOPAJ-UHFFFAOYSA-N",371752,NA,"PDBC35581","646195","Present",NA,NA
+"35582","Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(1-ethoxy-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate",NA,"CCC(C(OCC)OC1=C(CCC1)C(=O)OCC)[Se]C2=CC=CC=C2","KBRPDWXXSKNYHB-UHFFFAOYSA-N",371748,NA,"PDBC35582","646191","Present",NA,NA
+"35583","Ethyl 2-(1-ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(1-ethoxy-2-(phenylseleno)propoxy)-1-cyclopentene-1-carboxylate",NA,"CCOC(C(C)[Se]C1=CC=CC=C1)OC2=C(CCC2)C(=O)OCC","RJECTXCWUJKPHL-UHFFFAOYSA-N",371747,NA,"PDBC35583","646190","Present",NA,NA
+"35584","Ethyl 2-(1-ethoxy-3-methyl-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(1-ethoxy-3-methyl-2-(phenylseleno)butoxy)-1-cyclopentene-1-carboxylate",NA,"CCOC(C(C(C)C)[Se]C1=CC=CC=C1)OC2=C(CCC2)C(=O)OCC","UNUKZEKFTLZDDA-UHFFFAOYSA-N",371749,NA,"PDBC35584","646192","Present",NA,NA
+"35585","Ethyl 2-(1-methyl-2,6-dioxo-7H-purin-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(1-methyl-2,6-dioxo-7H-purin-3-yl)acetate",NA,"CCOC(=O)CN1C2=C(C(=O)N(C1=O)C)NC=N2","RWRBUIYPCWPJHT-UHFFFAOYSA-N",367815,NA,"PDBC35585","637880","Present",NA,NA
+"35586","Ethyl 2-(1-naphthylamino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(1-naphthylamino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,"CCOC(=O)C1=C(OCC1=O)NC2=CC=CC3=CC=CC=C32","PUZUEQNYTOVFGB-UHFFFAOYSA-N",361017,NA,"PDBC35586","623750","Present",NA,NA
+"35587","Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,"CCOC(=O)C1(CC2=C(C1)C=C3CCCC3=C2)CC4=CC5=C(CCC5)C=C4","XEVNNCVKGIDBNE-UHFFFAOYSA-N",382695,NA,"PDBC35587","670343","Present",NA,NA
+"35588","Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,"CCOC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC5=C(CCC5)C=C4","STXUACZSSBLOCT-UHFFFAOYSA-N",382680,NA,"PDBC35588","670328","Present",NA,NA
+"35589","Ethyl 2-(2,4-dichloroanilino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2,4-dichloroanilino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,"CCOC(=O)C1=C(OCC1=O)NC2=C(C=C(C=C2)Cl)Cl","NLUKOOMFZYOJTP-UHFFFAOYSA-N",360694,NA,"PDBC35589","623030","Present",NA,NA
+"35590","Ethyl 2-(2,5-dichloroanilino)-2-oxoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK082269",NA,"CCOC(=O)C(=O)NC1=C(C=CC(=C1)Cl)Cl","YGFYUTYPNIEDFO-UHFFFAOYSA-N",362279,NA,"PDBC35590","625890","Present",NA,NA
+"35591","Ethyl 2-(2,6-dimethylanilino)-2-oxo-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK028279",NA,"CCOC(=O)C(=O)NC1=C(C=CC=C1C)C","XKILREZHHLCALS-UHFFFAOYSA-N",366750,NA,"PDBC35591","635523","Present",NA,NA
+"35592","Ethyl 2-(2,6-dioxo-7H-purin-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2,6-dioxo-7H-purin-3-yl)acetate",NA,"CCOC(=O)CN1C2=C(C(=O)NC1=O)NC=N2","OQTZQGJTJNWAMO-UHFFFAOYSA-N",367810,NA,"PDBC35592","637875","Present",NA,NA
+"35593","Ethyl 2-(2-amino-4,5-dioxo-1,3,4a,10b-tetrahydrochromeno[3,4-c]pyridin-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-amino-4,5-dioxo-1,3,4a,10b-tetrahydrochromeno[3,4-c]pyridin-2-yl)acetate",NA,"CCOC(=O)CC1(CC2C(C(=O)N1)C(=O)OC3=CC=CC=C23)N","FMKAEKHRUPXDIR-UHFFFAOYSA-N",389425,NA,"PDBC35593","685507","Present",NA,NA
+"35594","Ethyl 2-(2-butanoylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-butanoylhydrazinyl)-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate",NA,"CCCC(=O)NNC1=C(C=C(N1)C2=CC=C(C=C2)OC)C(=O)OCC","ZHAMCOBMFSUNMT-UHFFFAOYSA-N",42597063,NA,"PDBC35594","741620","Present",NA,NA
+"35595","Ethyl 2-(2-chloroethylcarbamoylsulfanyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-800",NA,"CCOC(=O)CSC(=O)NCCCl","GOLLXOZWBUZFAO-UHFFFAOYSA-N",369333,NA,"PDBC35595","641087","Present",NA,NA
+"35596","Ethyl 2-(2-cyano-4-nitroanilino)-2-oxoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2189-0095",NA,"CCOC(=O)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N","QMVOXDZQHRKIGN-UHFFFAOYSA-N",366306,NA,"PDBC35596","634657","Present",NA,NA
+"35597","Ethyl 2-(2-ethoxycarbonyl-5-oxooxolan-3-yl)-5-oxofuran-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-ethoxycarbonyl-5-oxooxolan-3-yl)-5-oxofuran-2-carboxylate",NA,"CCOC(=O)C1C(CC(=O)O1)C2(C=CC(=O)O2)C(=O)OCC","DPGDZEKEPCYVFJ-UHFFFAOYSA-N",377938,NA,"PDBC35597","659606","Present",NA,NA
+"35598","Ethyl 2-(2-hydroxyethyl)-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-hydroxyethyl)-3-oxo-2,3-dihydro-1H-indazole-1-carboxylate",NA,"CCOC(=O)N1C2=CC=CC=C2C(=O)N1CCO","ZOOYXHWORFNGSS-UHFFFAOYSA-N",354027,NA,"PDBC35598","603975","Present",NA,NA
+"35599","Ethyl 2-(2-naphthylsulfonylamino)-3-(6-nitro-1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-naphthylsulfonylamino)-3-(6-nitro-1H-indol-3-yl)propanoate",NA,"CCOC(=O)C(CC1=CNC2=C1C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C3=CC4=CC=CC=C4C=C3","WOKXMSWECMAPRZ-UHFFFAOYSA-N",374102,NA,"PDBC35599","651364","Present",NA,NA
+"35600","Ethyl 2-(2-nitro-1-phenylethyl)sulfanylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-nitro-1-phenylethyl)sulfanylbenzoate",NA,"CCOC(=O)C1=CC=CC=C1SC(C[N+](=O)[O-])C2=CC=CC=C2","ZBRQQRZXDOZYEO-UHFFFAOYSA-N",330275,NA,"PDBC35600","317615","Present",NA,NA
+"35601","Ethyl 2-(3,4-difluoroanilino)-2-(ethoxycarbonylamino)-3,3,3-trifluoropropionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanoic acid, 3,3,3-trifluoro- 2-[(3,4-difluorophenyl)...",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC(=C(C=C1)F)F)NC(=O)OCC","IBCXUZHHULLMJR-UHFFFAOYSA-N",389162,NA,"PDBC35601","684846","Present",NA,NA
+"35602","Ethyl 2-(3,4-dimethylanilino)-2-oxoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A1-00852",NA,"CCOC(=O)C(=O)NC1=CC(=C(C=C1)C)C","WGQGYKSFMHBSCC-UHFFFAOYSA-N",366793,NA,"PDBC35602","635566","Present",NA,NA
+"35603","Ethyl 2-(3-diethylaminopropanoylamino)thiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(3-diethylaminopropanoylamino)thiazole-4-carboxylate",NA,"CCN(CC)CCC(=O)NC1=NC(=CS1)C(=O)OCC","OKPSHQGAOFIOJM-UHFFFAOYSA-N",396826,NA,"PDBC35603","703830","Present",NA,NA
+"35604","Ethyl 2-(3H-benzimidazol-4-ylcarbamoyl)pent-4-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(1h-benzimidazol-7-ylcarbamoyl)pent-4-enoate",NA,"CCOC(=O)C(CC=C)C(=O)NC1=CC=CC2=C1N=CN2","PKPUREDTQSZWRC-UHFFFAOYSA-N",393560,NA,"PDBC35604","695630","Present",NA,NA
+"35605","Ethyl 2-(3H-benzimidazol-4-ylcarbamoyl)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(1h-benzimidazol-7-ylcarbamoyl)pentanoate",NA,"CCCC(C(=O)NC1=CC=CC2=C1N=CN2)C(=O)OCC","TUPMTKHREUFARM-UHFFFAOYSA-N",393559,NA,"PDBC35605","695629","Present",NA,NA
+"35606","Ethyl 2-(4,5-dihydrothiazol-2-ylamino)-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4,5-dihydrothiazol-2-ylamino)-2-(ethoxycarbonylamino)-3,3,3-trifluoro-propanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC1=NCCS1)NC(=O)OCC","SOZVKQFLVNGWAT-UHFFFAOYSA-N",389160,NA,"PDBC35606","684844","Present",NA,NA
+"35607","Ethyl 2-(4-(3-(4-chlorophenyl)-3-oxo-1-propenyl)phenoxy)-2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-(3-(4-chlorophenyl)-3-oxo-1-propenyl)phenoxy)-2-methylpropanoate",NA,"CCOC(=O)C(C)(C)OC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Cl","SQBRVDDXUNNYPO-VGOFMYFVSA-N",5467239,NA,"PDBC35607","648895","Present",NA,NA
+"35608","Ethyl 2-(4-bromo-2-butenyl)-1-oxo-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-bromo-2-butenyl)-1-oxo-2-indanecarboxylate",NA,"CCOC(=O)C1(CC2=CC=CC=C2C1=O)CC=CCBr","FGOOWFDSMKOWAQ-AATRIKPKSA-N",5351442,NA,"PDBC35608","697875","Present",NA,NA
+"35609","Ethyl 2-(4-cyanobutanoylamino)-1,3-thiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-cyanobutanoylamino)thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CCCC#N","LIRIRPIYQYHQMA-UHFFFAOYSA-N",396831,NA,"PDBC35609","703835","Present",NA,NA
+"35610","Ethyl 2-(4-fluorosulfonylphenyl)-4-hydroxy-6-quinolinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RPVWQFIPQQFZDG-UHFFFAOYSA-N",NA,"CCOC(=O)C1=CC2=C(C=C1)NC(=CC2=O)C3=CC=C(C=C3)S(=O)(=O)F","RPVWQFIPQQFZDG-UHFFFAOYSA-N",276750,NA,"PDBC35610","125095","Present",NA,NA
+"35611","Ethyl 2-(4-hydroxy-2-mercaptopyrimidin-5-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CE-679",NA,"CCOC(=O)CC1=CNC(=S)NC1=O","AZQJLAUOZFTBTH-UHFFFAOYSA-N",3659581,NA,"PDBC35611","123141","Present",NA,NA
+"35612","Ethyl 2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-methoxyphenyl)-5-oxo-5H-[1,3,4]oxadiazolo[3,2-a]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=CN=C2N(C1=O)N=C(O2)C3=CC=C(C=C3)OC","JXGXTTARQPDPFN-UHFFFAOYSA-N",363578,NA,"PDBC35612","628557","Present",NA,NA
+"35613","Ethyl 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-nitrophenyl)-1-thioxo-pyrimido[1,6-a]benzimidazole-4-carboxylate",NA,"CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)[N+](=O)[O-]","VSKJSKQPIVUALL-UHFFFAOYSA-N",395851,NA,"PDBC35613","700854","Present",NA,NA
+"35614","Ethyl 2-(4-oxochromen-5-yl)oxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-oxochromen-5-yl)oxyacetate",NA,"CCOC(=O)COC1=CC=CC2=C1C(=O)C=CO2","WIMMGTSHXAHDNJ-UHFFFAOYSA-N",361667,NA,"PDBC35614","624885","Present",NA,NA
+"35615","Ethyl 2-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[de]isoquinoline-2(3H)-acetic acid, 5,8-dinitro- ...",NA,"CCOC(=O)CN1C(=O)C2=CC(=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-])[N+](=O)[O-]","GYNLBAFRUMWVHC-UHFFFAOYSA-N",357365,NA,"PDBC35615","615799","Present",NA,NA
+"35616","Ethyl 2-(5-bromothien-2-ylsulfonyl)-6-chloro-1,3-dihydro-1,4,2-benzodithiazine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(5-bromothien-2-ylsulfonyl)-6-chloro-1,1-dioxo-3...",NA,"CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NC3=CC=CC=C3)N(S2(=O)=O)S(=O)(=O)C4=CC=C(S4)Br","MDNZGGKOIWRIAV-UHFFFAOYSA-N",24205035,NA,"PDBC35616","734039","Present",NA,NA
+"35617","Ethyl 2-(5-chloro-2-hydroxypyrido[2,3-g]quinoxalin-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(5-chloro-2-hydroxypyrido[2,3-g]quinoxalin-3-yl)propanoate",NA,"CCOC(=O)C(C)C1=NC2=C(C=C3C=CC=NC3=C2Cl)NC1=O","KQOCSYSJMNTJCU-UHFFFAOYSA-N",391277,NA,"PDBC35617","690236","Present",NA,NA
+"35618","Ethyl 2-(5-chloro-3-hydroxypyrido[2,3-g]quinoxalin-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(5-chloro-3-hydroxypyrido[2,3-g]quinoxalin-2-yl)propanoate",NA,"CCOC(=O)C(C)C1=NC2=C(C(=C3C(=C2)C=CC=N3)Cl)NC1=O","XSZRBRQLHYZSDJ-UHFFFAOYSA-N",394141,NA,"PDBC35618","697368","Present",NA,NA
+"35619","Ethyl 2-(5-methoxy-1-methyl-4,7-dioxoindol-3-yl)thiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(5-methoxy-1-methyl-4,7-dioxoindol-3-yl)thiazole...",NA,"CCOC(=O)C1=CSC(=N1)C2=CN(C3=C2C(=O)C(=CC3=O)OC)C","URTSZPDLWLNZKK-UHFFFAOYSA-N",392618,NA,"PDBC35619","693177","Present",NA,NA
+"35620","Ethyl 2-(5-methoxyfuran-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(5-methoxyfuran-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate",NA,"CCOC(=O)C1C2=C(CCN1C(=O)C3=CC=C(O3)OC)C4=CC=CC=C4N2","YGAFXNXUMBVFBM-UHFFFAOYSA-N",372330,NA,"PDBC35620","647388","Present",NA,NA
+"35621","Ethyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(5-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)acetate",NA,"CCOC(=O)CN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]","ASFKDMGPCIPEQK-UHFFFAOYSA-N",357363,NA,"PDBC35621","615797","Present",NA,NA
+"35622","Ethyl 2-(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(5-oxo-4-phenyl-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)acetate",NA,"CCOC(=O)CC1=NN=C2N1C3=CC=CC=C3C(=O)N2C4=CC=CC=C4","NVQLKQAIYMIBLM-UHFFFAOYSA-N",380663,NA,"PDBC35622","666357","Present",NA,NA
+"35623","Ethyl 2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)acetate",NA,"CCOC(=O)CC1=NC2=CC(=C(C=C2NC1=O)F)F","VLQFUYIXRPAFAI-UHFFFAOYSA-N",389435,NA,"PDBC35623","685517","Present",NA,NA
+"35624","Ethyl 2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(6,7-difluoro-3-oxo-4H-quinoxalin-2-yl)propanoate",NA,"CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)F)F","AIYMPJGRVCKHGX-UHFFFAOYSA-N",389434,NA,"PDBC35624","685516","Present",NA,NA
+"35625","Ethyl 2-(6-fluoro-3-hydroxy-7-morpholino-quinoxalin-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(6-fluoro-3-hydroxy-7-morpholino-quinoxalin-2-yl)propanoate",NA,"CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)F)N3CCOCC3","QIDLEPHVYXVBGA-UHFFFAOYSA-N",391192,NA,"PDBC35625","690025","Present",NA,NA
+"35626","Ethyl 2-(7,8-diacetoxy-4-methyl-2-oxo-chromen-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(7,8-diacetoxy-4-methyl-2-oxo-chromen-3-yl)acetate",NA,"CCOC(=O)CC1=C(C2=C(C(=C(C=C2)OC(=O)C)OC(=O)C)OC1=O)C","YJFRZJKLQHGSIB-UHFFFAOYSA-N",390806,NA,"PDBC35626","688804","Present",NA,NA
+"35627","Ethyl 2-(7-benzyl-2,6-dioxopurin-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QAJVCLQYEWJRPA-UHFFFAOYSA-N",NA,"CCOC(=O)CN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3","QAJVCLQYEWJRPA-UHFFFAOYSA-N",367813,NA,"PDBC35627","637878","Present",NA,NA
+"35628","Ethyl 2-(7-fluoro-2-phenylquinolin-4-yl)oxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(7-fluoro-2-phenyl-4-quinolyl)oxy]acetate",NA,"CCOC(=O)COC1=CC(=NC2=C1C=CC(=C2)F)C3=CC=CC=C3","PSWRUZTZJHWESA-UHFFFAOYSA-N",388497,NA,"PDBC35628","683480","Present",NA,NA
+"35629","Ethyl 2-(7-fluoro-3-hydroxy-6-morpholino-quinoxalin-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(7-fluoro-3-hydroxy-6-morpholino-quinoxalin-2-yl)propanoate",NA,"CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)N3CCOCC3)F","IECXXILPWHQEIJ-UHFFFAOYSA-N",391193,NA,"PDBC35629","690026","Present",NA,NA
+"35630","Ethyl 2-(7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)acetate;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(7-methoxy-1-methyl-9H-pyrido[3,4-b]indol-2-ium-2-yl)acetate;chloride",NA,"CCOC(=O)C[N+]1=C(C2=C(C=C1)C3=C(N2)C=C(C=C3)OC)C.[Cl-]","XOUCEHFZZRZAHW-UHFFFAOYSA-N",24197872,NA,"PDBC35630","277562","Present",NA,NA
+"35631","Ethyl 2-(9-chloro-12,13-dimethoxy-3-oxo-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(9-chloro-12,13-dimethoxy-3-oxo-6-phenyl-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-2-yl)acetate",NA,"CCOC(=O)CN1C2=CC(=C(C3=C2C4=C(C=C(C=C4C1=O)C5=CC=CC=C5)C(=N3)Cl)OC)OC","OXAFYGIPDITGTO-UHFFFAOYSA-N",397801,NA,"PDBC35631","706239","Present",NA,NA
+"35632","Ethyl 2-(9-chloro-12,13-dimethoxy-6-methyl-3-oxo-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(9-chloro-12,13-dimethoxy-6-methyl-3-oxo-2,10-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4,6,8(16),9,11(15),12-heptaen-2-yl)acetate",NA,"CCOC(=O)CN1C2=CC(=C(C3=C2C4=C(C=C(C=C4C1=O)C)C(=N3)Cl)OC)OC","YINBCGHUQUNTGC-UHFFFAOYSA-N",397800,NA,"PDBC35632","706238","Present",NA,NA
+"35633","Ethyl 2-(acetylamino)-3,3,3-trifluoro-2-hydroxypropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377694",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)C)O","FMTMLHIXLZJNTA-UHFFFAOYSA-N",389141,NA,"PDBC35633","684826","Present",NA,NA
+"35634","Ethyl 2-(allylamino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(allylamino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,"CCOC(=O)C1=C(OCC1=O)NCC=C","COKVLPODFGKMDZ-UHFFFAOYSA-N",366149,NA,"PDBC35634","634476","Present",NA,NA
+"35635","Ethyl 2-(allylimino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(allylimino)-4-methyl-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1C(=NC(=NCC=C)S1)C","TZBXXJJVVBZVHF-UHFFFAOYSA-N",364286,NA,"PDBC35635","630304","Present",NA,NA
+"35636","Ethyl 2-(anilinocarbamoyloxy)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Ethoxycarbonyl)phenyl 2-phenylhydrazinecarboxylate",NA,"CCOC(=O)C1=CC=CC=C1OC(=O)NNC2=CC=CC=C2","WIQLDOABYYWJBA-UHFFFAOYSA-N",232136,NA,"PDBC35636","29182","Present",NA,NA
+"35637","Ethyl 2-(benzo[d]thiazol-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-79400",NA,"CCOC(=O)CC1=NC2=CC=CC=C2S1","VYMJUZXFYAREJY-UHFFFAOYSA-N",359796,NA,"PDBC35637","621357","Present",NA,NA
+"35638","Ethyl 2-(benzoylamino)-2-(4-(((2,6-dimethyl-4-pyrimidinyl)amino)sulfonyl)anilino)-3,3,3-trifluoropropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzamido-2-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]anilino]-3,3,3-trifluoro-propanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C)NC(=O)C3=CC=CC=C3","VIHLCHVCVNYURN-UHFFFAOYSA-N",383662,NA,"PDBC35638","672080","Present",NA,NA
+"35639","Ethyl 2-(benzoylamino)-2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-3,3,3-trifluoropropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzamido-2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-3,3,3-trifluoro-propanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)C3=CC=CC=C3","JSOJHHYESBAOPR-UHFFFAOYSA-N",383663,NA,"PDBC35639","672081","Present",NA,NA
+"35640","Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzamido-3,3,3-trifluoro-2-[4-[(5-methylisoxazol-3-yl)sulfamoyl]anilino]propanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C)NC(=O)C3=CC=CC=C3","BIDHEVOACWBNGV-UHFFFAOYSA-N",383666,NA,"PDBC35640","672084","Present",NA,NA
+"35641","Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4-((2-pyrimidinylamino)sulfonyl)anilino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(benzoylamino)-3,3,3-trifluoro-2-(4-((2-pyrimidinylamino)sulfonyl)anilino)propanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)NC(=O)C3=CC=CC=C3","BDZXFPKNFTZOSC-UHFFFAOYSA-N",383665,NA,"PDBC35641","672083","Present",NA,NA
+"35642","Ethyl 2-(benzyloxycarbonylamino)-2-chloro-3,3,3-trifluoro-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(benzyloxycarbonylamino)-2-chloro-3,3,3-trifluoro-propanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)OCC1=CC=CC=C1)Cl","WAWJUHBERQZKDC-UHFFFAOYSA-N",389151,NA,"PDBC35642","684835","Present",NA,NA
+"35643","Ethyl 2-(bis(acetyloxy)methyl)nicotinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(bis(acetyloxy)methyl)nicotinate",NA,"CCOC(=O)C1=C(N=CC=C1)C(OC(=O)C)OC(=O)C","QVKIFUZFGANSBS-UHFFFAOYSA-N",371018,NA,"PDBC35643","644880","Present",NA,NA
+"35644","Ethyl 2-(butanoylamino)-2-(cyclohexylamino)-3,3,3-trifluoro-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(butyrylamino)-2-(cyclohexylamino)-3,3,3-trifluoropropanoate",NA,"CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1CCCCC1","YZVSGZPLCBLUJX-UHFFFAOYSA-N",389158,NA,"PDBC35644","684842","Present",NA,NA
+"35645","Ethyl 2-(butanoylamino)-3,3,3-trifluoro-2-[(4-methyl-2-pyridyl)amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(butanoylamino)-3,3,3-trifluoro-2-[(4-methyl-2-pyridyl)amino]propanoate",NA,"CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=NC=CC(=C1)C","BXAWVZFTBKBVLE-UHFFFAOYSA-N",389127,NA,"PDBC35645","684812","Present",NA,NA
+"35646","Ethyl 2-(butylamino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(butylamino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,"CCCCNC1=C(C(=O)CO1)C(=O)OCC","WBHCTAQTSYOENR-UHFFFAOYSA-N",364794,NA,"PDBC35646","631553","Present",NA,NA
+"35647","Ethyl 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(butylcarbamoylamino)-1-carbamoyl-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate",NA,"CCCCNC(=O)NC1=C(N2CCCCCC2=C1C(=O)N)C(=O)OCC","RWZGYFQWQFSRTM-UHFFFAOYSA-N",394192,NA,"PDBC35647","697461","Present",NA,NA
+"35648","Ethyl 2-(dibutoxyphosphoryl)-3,3,3-trifluoro-2-((phenylsulfonyl)amino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(dibutoxyphosphoryl)-3,3,3-trifluoro-2-((phenylsulfonyl)amino)propanoate",NA,"CCCCOP(=O)(C(C(=O)OCC)(C(F)(F)F)NS(=O)(=O)C1=CC=CC=C1)OCCCC","ACHUBZWZVFDAMN-UHFFFAOYSA-N",383642,NA,"PDBC35648","672060","Present",NA,NA
+"35649","Ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-(propionylamino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(diethoxyphosphoryl)-3,3,3-trifluoro-2-(propionylamino)propanoate",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)P(=O)(OCC)OCC","WIJWEPSAFHKVBY-UHFFFAOYSA-N",383644,NA,"PDBC35649","672062","Present",NA,NA
+"35650","Ethyl 2-(diethoxyphosphoryl)-3-(1-((4-methylphenyl)sulfonyl)-1H-imidazol-4-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(diethoxyphosphoryl)-3-(1-((4-methylphenyl)sulfonyl)-1H-imidazol-4-yl)propanoate",NA,"CCOC(=O)C(CC1=CN(C=N1)S(=O)(=O)C2=CC=C(C=C2)C)P(=O)(OCC)OCC","KZCMWRJJNLJDQV-UHFFFAOYSA-N",382146,NA,"PDBC35650","669591","Present",NA,NA
+"35651","Ethyl 2-(diethoxyphosphoryl)-3-(2-naphthyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(diethoxyphosphoryl)-3-(2-naphthyl)acrylate",NA,"CCOC(=O)C(=CC1=CC2=CC=CC=C2C=C1)P(=O)(OCC)OCC","DLECWYVBKQCDRC-NBVRZTHBSA-N",5467568,NA,"PDBC35651","655945","Present",NA,NA
+"35652","Ethyl 2-(diethoxyphosphoryl)-3-(trimethylsilyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(diethoxyphosphoryl)-3-(trimethylsilyl)propanoate",NA,"CCOC(=O)C(C[Si](C)(C)C)P(=O)(OCC)OCC","FPBZLSNYVGSOPR-UHFFFAOYSA-N",371705,NA,"PDBC35652","646154","Present",NA,NA
+"35653","Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-(4-fluoroanilino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanoic acid, 3,3,3-trifluoro- 2-[(4-fluorophenyl)amin...",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)OCC","CCSFRRAOBXPBPN-UHFFFAOYSA-N",389161,NA,"PDBC35653","684845","Present",NA,NA
+"35654","Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoro-2-[4-(pyrimidin-2-ylsulfamoyl)anilino]propanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2)NC(=O)OCC","NHOXJFHCFJIUFI-UHFFFAOYSA-N",384777,NA,"PDBC35654","675213","Present",NA,NA
+"35655","Ethyl 2-(ethoxycarbonylamino)-3,3,3-trifluoropropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK367522",NA,"CCOC(=O)C(C(F)(F)F)NC(=O)OCC","YKVQQBYRVSSEGV-UHFFFAOYSA-N",382509,NA,"PDBC35655","670116","Present",NA,NA
+"35656","Ethyl 2-(furan-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(furan-2-carbonyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-1-carboxylate",NA,"CCOC(=O)C1C2=C(CCN1C(=O)C3=CC=CO3)C4=CC=CC=C4N2","KOIXXCPFRKUBEC-UHFFFAOYSA-N",372327,NA,"PDBC35656","647385","Present",NA,NA
+"35657","Ethyl 2-(hydroxyamino)-3-(4-methoxyphenyl)-3-(phenylthio)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(hydroxyamino)-3-(4-methoxyphenyl)-3-(phenylthio)propanoate",NA,"CCOC(=O)C(C(C1=CC=C(C=C1)OC)SC2=CC=CC=C2)NO","IAQOGSRDZGWBQA-UHFFFAOYSA-N",363259,NA,"PDBC35657","628008","Present",NA,NA
+"35658","Ethyl 2-(methylamino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(methylamino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,"CCOC(=O)C1=C(OCC1=O)NC","OBJKEMDDRWVOOY-UHFFFAOYSA-N",361030,NA,"PDBC35658","623764","Present",NA,NA
+"35659","Ethyl 2-(naphthalen-2-ylmethyl)-7-oxoazepane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(naphthalen-2-ylmethyl)-7-oxoazepane-2-carboxylate",NA,"CCOC(=O)C1(CCCCC(=O)N1)CC2=CC3=CC=CC=C3C=C2","WLPSALUOTNBGDB-UHFFFAOYSA-N",360274,NA,"PDBC35659","622299","Present",NA,NA
+"35660","Ethyl 2-(naphthalen-2-ylmethyl)azepane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(naphthalen-2-ylmethyl)azepane-2-carboxylate",NA,"CCOC(=O)C1(CCCCCN1)CC2=CC3=CC=CC=C3C=C2","ZSNNZUVBGIQDQB-UHFFFAOYSA-N",360275,NA,"PDBC35660","622300","Present",NA,NA
+"35661","Ethyl 2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(phenylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylate",NA,"CCOC(=O)C1=C(SC2=C1CCOC2)NC(=S)NC3=CC=CC=C3","OFCZCHWTORJLNM-UHFFFAOYSA-N",5472328,NA,"PDBC35661","717887","Present",NA,NA
+"35662","Ethyl 2-(tert-butylamino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(tert-butylamino)-4-oxo-4,5-dihydro-3-furancarboxylate",NA,"CCOC(=O)C1=C(OCC1=O)NC(C)(C)C","YACKVMYEZPROBR-UHFFFAOYSA-N",360695,NA,"PDBC35662","623031","Present",NA,NA
+"35663","Ethyl 2-(trifluoromethyl)furo[2,3-f][1,2,5]oxadiazolo[3,4-b]quinoxaline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(trifluoromethyl)furo[2,3-f][1,2,5]oxadiazolo[3,4-b]quinoxaline-3-carboxylate",NA,"CCOC(=O)C1=C(OC2=C1C=CC3=NC4=NON=C4N=C32)C(F)(F)F","ZXRGCTVMURJHPE-UHFFFAOYSA-N",368639,NA,"PDBC35663","639752","Present",NA,NA
+"35664","Ethyl 2-[(1S,4R)-4-acetyloxycyclopent-2-en-1-yl]-4-[(2-methylpropan-2-yl)oxy]-3-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(1s,4r)-4-acetoxy-1-cyclopent-2-enyl]-4-tert-butoxy-3-oxo-butanoate",NA,"CCOC(=O)C(C1CC(C=C1)OC(=O)C)C(=O)COC(C)(C)C","UVHLJZLHSBNDJU-NEJHNUGDSA-N",394628,NA,"PDBC35664","698204","Present",NA,NA
+"35665","Ethyl 2-[(2-acetamido-4-methylpentanoyl)amino]-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alanine, N-(N-acetyl-L-leucyl)-3-[p-[bis(2-chloroethyl)a...",NA,"CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)C(CC(C)C)NC(=O)C","SWXCQOFAVJKBPJ-UHFFFAOYSA-N",250390,NA,"PDBC35665","69830","Present",NA,NA
+"35666","Ethyl 2-[(2-acetamidoacetyl)amino]-3-[2-[3-[2-[(2-acetamidoacetyl)amino]-3-ethoxy-3-oxo-propyl]-1h-indol-2-yl]-1h-indol-3-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(2-acetamidoacetyl)amino]-3-[2-[3-[2-[(2-acetamidoacetyl)amino]-3-ethoxy-3-oxopropyl]-1H-indol-2-yl]-1H-indol-3-yl]propanoate",NA,"CCOC(=O)C(CC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CC(C(=O)OCC)NC(=O)CNC(=O)C)NC(=O)CNC(=O)C","SUHCFADRDOCQQT-UHFFFAOYSA-N",392240,NA,"PDBC35666","692373","Present",NA,NA
+"35667","Ethyl 2-[(2-benzyloxy-3,4-dioxo-cyclobuten-1-yl)amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(2-benzyloxy-3,4-dioxo-cyclobuten-1-yl)amino]acetate",NA,"CCOC(=O)CNC1=C(C(=O)C1=O)OCC2=CC=CC=C2","IMLCIEMEHDKGFI-UHFFFAOYSA-N",388770,NA,"PDBC35667","683848","Present",NA,NA
+"35668","Ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(10-hydroxy-9-oxo-10-prop-2-enylanthracen-1-yl)amino]ethyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(2-ethoxy-2-oxoethyl)-[2-[(10-hydroxy-9-oxo-10-prop-2-enylanthracen-1-yl)amino]ethyl]amino]acetate",NA,"CCOC(=O)CN(CCNC1=CC=CC2=C1C(=O)C3=CC=CC=C3C2(CC=C)O)CC(=O)OCC","AMZLCRKXWRTJRU-UHFFFAOYSA-N",24206068,NA,"PDBC35668","740001","Present",NA,NA
+"35669","Ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(tert-butoxycarbonylamino)-3-(4-tert-butoxycarbonyloxyphenyl)propanoate",NA,"CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C","HFGQSEUSMMJEGO-UHFFFAOYSA-N",397412,NA,"PDBC35669","705158","Present",NA,NA
+"35670","Ethyl 2-[(2-piperidinoacetyl)amino]-1,3-thiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(2-piperidinoacetyl)amino]-1,3-thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)CN2CCCCC2","ASOYVPVSIVLCLP-UHFFFAOYSA-N",396822,NA,"PDBC35670","703826","Present",NA,NA
+"35671","Ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=C1)C2=CC(=C(C=C2)OC)OC)NN=CC3=C(C=CC=C3Cl)Cl","BUIDRDKYWLKGJF-BRJLIKDPSA-N",45027922,NA,"PDBC35671","740127","Present",NA,NA
+"35672","Ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=C1)C2=CC=CC=C2)NN=CC3=C(C=CC=C3Cl)Cl","JHOLIVYKPQUWRS-FSJBWODESA-N",45027954,NA,"PDBC35672","740253","Present",NA,NA
+"35673","Ethyl 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=C1)C2=CC=CC=C2)NN=CC3=CC=C(C=C3)Cl","CLIDABYVWYUABN-LPYMAVHISA-N",45027953,NA,"PDBC35673","740252","Present",NA,NA
+"35674","Ethyl 2-[(3-fluoro-1-adamantyl)carbamoylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(3-fluoro-1-adamantyl)carbamoylamino]propanoate",NA,"CCOC(=O)C(C)NC(=O)NC12CC3CC(C1)CC(C3)(C2)F","ZOSXNGVOBGGWPY-UHFFFAOYSA-N",371834,NA,"PDBC35674","646350","Present",NA,NA
+"35675","Ethyl 2-[(3-methoxyphenyl)amino]-4-oxo-4,5-dihydrofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4,5-dihydro-2-(3'-methoxyanilino)-4-oxofuran-3-car...",NA,"CCOC(=O)C1=C(OCC1=O)NC2=CC(=CC=C2)OC","FJRLVLJZASXGCA-UHFFFAOYSA-N",393790,NA,"PDBC35675","696555","Present",NA,NA
+"35676","Ethyl 2-[(3S,5E)-3-(benzyloxycarbonylamino)-5-(2-ethoxy-2-oxo-ethylidene)-2-oxo-pyrrolidin-1-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(3S,5E)-5-(2-ethoxy-2-oxoethylidene)-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]acetate",NA,"CCOC(=O)CN1C(=CC(=O)OCC)CC(C1=O)NC(=O)OCC2=CC=CC=C2","XAAAXTXCGNLCGN-SFKKXYGYSA-N",5469622,NA,"PDBC35676","690787","Present",NA,NA
+"35677","Ethyl 2-[(4-diethoxyphosphoryl-3-oxobutanoyl)-[(2,4-dimethoxyphenyl)methyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(4-diethoxyphosphoryl-3-oxobutanoyl)-[(2,4-dimethoxyphenyl)methyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate",NA,"CCOC(=O)C(CCCNC(=O)OC(C)(C)C)N(CC1=C(C=C(C=C1)OC)OC)C(=O)CC(=O)CP(=O)(OCC)OCC","UJPSJWGYPPKXHQ-UHFFFAOYSA-N",359596,NA,"PDBC35677","620617","Present",NA,NA
+"35678","Ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(furan-2-carbonylamino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3,3,3-trifluoro-2-(2-furoylamino)propanoate",NA,"CCOC1=CC2=C(C=C1)N=C(S2)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C3=CC=CO3","VXMVGEQMRWCYJP-UHFFFAOYSA-N",401439,NA,"PDBC35678","715099","Present",NA,NA
+"35679","Ethyl 2-[(7-acetamido-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl)amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-D-Glucopyranoside, methyl 2-acetamido-4,6-O-benz...",NA,"CCOC(=O)CNC1C(C(OC2C1OC(OC2)C3=CC=CC=C3)OC)NC(=O)C","CMWLJXGREFYGQC-UHFFFAOYSA-N",363224,NA,"PDBC35679","627966","Present",NA,NA
+"35680","Ethyl 2-[(7-chloro-10,11-dimethoxy-4-oxo-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaen-3-yl)oxy]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(7-chloro-10,11-dimethoxy-4-oxo-2,8-diazatricyclo[7.3.1.05,13]trideca-1(12),2,5,7,9(13),10-hexaen-3-yl)oxy]acetate",NA,"CCOC(=O)COC1=NC2=CC(=C(C3=C2C(=CC(=N3)Cl)C1=O)OC)OC","XTEOWTJRCYUYNE-UHFFFAOYSA-N",397799,NA,"PDBC35680","706237","Present",NA,NA
+"35681","Ethyl 2-[(7-chloro-4,5-dioxopyrano[3,4-e][1,3]oxazin-2-yl)amino]-3-(4-hydroxyphenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(7-chloro-4,5-dioxo-pyrano[3,4-e][1,3]oxazin-2-yl)amino]-3-(4-hydroxyphenyl)propanoate",NA,"CCOC(=O)C(CC1=CC=C(C=C1)O)NC2=NC(=O)C3=C(O2)C=C(OC3=O)Cl","CVXPNZDLTOVMQP-UHFFFAOYSA-N",396373,NA,"PDBC35681","702322","Present",NA,NA
+"35682","Ethyl 2-[(7-chloro-4,5-dioxopyrano[3,4-e][1,3]oxazin-2-yl)amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(7-chloro-4,5-dioxo-pyrano[3,4-e][1,3]oxazin-2-yl)amino]acetate",NA,"CCOC(=O)CNC1=NC(=O)C2=C(O1)C=C(OC2=O)Cl","QKSWMTWGVUUIHF-UHFFFAOYSA-N",396372,NA,"PDBC35682","702321","Present",NA,NA
+"35683","Ethyl 2-[(E)-4-bromobut-2-enyl]-1-oxo-tetralin-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(E)-4-bromobut-2-enyl]-1-oxo-tetralin-2-carboxylate",NA,"CCOC(=O)C1(CCC2=CC=CC=C2C1=O)CC=CCBr","TXJJDQQYUDEENI-AATRIKPKSA-N",5470127,NA,"PDBC35683","697876","Present",NA,NA
+"35684","Ethyl 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetate",NA,"CCOC(=O)CON=C1C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O","UMGFATNCSHQRIG-PTGBLXJZSA-N",135436298,NA,"PDBC35684","717838","Present",NA,NA
+"35685","Ethyl 2-[(diethoxyphosphoryl)oxy]-3,3,3-trifluoropropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP012773",NA,"CCOC(=O)C(C(F)(F)F)OP(=O)(OCC)OCC","XEZTTYBRBJYINN-UHFFFAOYSA-N",383648,NA,"PDBC35685","672066","Present",NA,NA
+"35686","Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XICJPCJVGUIDED-UHFFFAOYSA-N",NA,"CCOC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C","XICJPCJVGUIDED-UHFFFAOYSA-N",357725,NA,"PDBC35686","617242","Present",NA,NA
+"35687","Ethyl 2-[1-(1,3-dioxoisoindol-2-yl)-2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1,3-thiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[1-(1,3-dioxoisoindol-2-yl)-2-[(4-methoxyphenyl)methylsulfanyl]ethyl]-1,3-thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)C(CSCC2=CC=C(C=C2)OC)N3C(=O)C4=CC=CC=C4C3=O","PTAAZYBMBXUBEG-UHFFFAOYSA-N",375652,NA,"PDBC35687","655472","Present",NA,NA
+"35688","Ethyl 2-[1-adamantylcarbamoyl(ethyl)amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC 9147",NA,"CCN(CC(=O)OCC)C(=O)NC12CC3CC(C1)CC(C3)C2","AHFGQKXJNIGZBT-UHFFFAOYSA-N",308224,NA,"PDBC35688","208915","Present",NA,NA
+"35689","Ethyl 2-[1-hydroxy-2,2-bis[(4-methylphenyl)sulfanyl]cyclohexyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[1-hydroxy-2,2-bis[(4-methylphenyl)sulfanyl]cyclohexyl]acetate",NA,"CCOC(=O)CC1(CCCCC1(SC2=CC=C(C=C2)C)SC3=CC=C(C=C3)C)O","MOCHMAWTQNGFJB-UHFFFAOYSA-N",401322,NA,"PDBC35689","714632","Present",NA,NA
+"35690","Ethyl 2-[1-methyl-3-(6-methylpyridine-3-carbonyl)indol-2-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-2-acetic acid, .alpha.,1-dimethyl-3- [(6-methy...",NA,"CCOC(=O)C(C)C1=C(C2=CC=CC=C2N1C)C(=O)C3=CN=C(C=C3)C","WLCYHJXUIPJJET-UHFFFAOYSA-N",360924,NA,"PDBC35690","623638","Present",NA,NA
+"35691","Ethyl 2-[2-(2-nitroanilino)thiazol-4-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-(2-nitroanilino)thiazol-4-yl]acetate",NA,"CCOC(=O)CC1=CSC(=N1)NC2=CC=CC=C2[N+](=O)[O-]","XOXCIPXBYNMTBJ-UHFFFAOYSA-N",365883,NA,"PDBC35691","633960","Present",NA,NA
+"35692","Ethyl 2-[2-(4,9-dioxobenzo[f][1,3]benzothiazol-2-yl)hydrazino]-2-oxo-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanedioic acid, mono(4,9-dihydro-4,9-dioxonaphtho[2,3-...",NA,"CCOC(=O)C(=O)N=NC1=NC2=C(C3=CC=CC=C3C(=C2S1)O)O","CRHIGZKUBIPEJP-UHFFFAOYSA-N",367754,NA,"PDBC35692","637693","Present",NA,NA
+"35693","Ethyl 2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl{2-[(4-methylphenyl)sulfonyl]hydrazinyl}[(nonafluorobutyl)sulfonyl]acetate",NA,"CCOC(=O)C(NNS(=O)(=O)C1=CC=C(C=C1)C)S(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","TZZXJVVVZIKNOW-UHFFFAOYSA-N",384398,NA,"PDBC35693","674122","Present",NA,NA
+"35694","Ethyl 2-[2-(allylcarbamoyl)hydrazino]-3,3,3-trifluoro-2-hydroxy-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(2-((allylamino)carbonyl)hydrazino)-3,3,3-trifluoro-2-hydroxypropanoate",NA,"CCOC(=O)C(C(F)(F)F)(NNC(=O)NCC=C)O","WFAOEPWYUSQZEH-UHFFFAOYSA-N",389165,NA,"PDBC35694","684849","Present",NA,NA
+"35695","Ethyl 2-[2-[(2Z)-2-(2-oxoindolin-3-ylidene)hydrazino]thiazol-4-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-[(2Z)-2-(2-oxoindolin-3-ylidene)hydrazino]thiazol-4-yl]acetate",NA,"CCOC(=O)CC1=CSC(=N1)N=NC2=C(NC3=CC=CC=C32)O","BPCFKWDRAAGODG-UHFFFAOYSA-N",376595,NA,"PDBC35695","657607","Present",NA,NA
+"35696","Ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-hydroxyprop-1-enyl]-4,5-dimethoxyphenyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-hydroxyprop-1-enyl]-4,5-dimethoxyphenyl]acetate",NA,"CCOC(=O)CC1=CC(=C(C=C1C(=C(CO)C2=CC(=C(C=C2)OC)OC)Cl)OC)OC","NWVAUIAOCCEITI-QJOMJCCJSA-N",5386815,NA,"PDBC35696","618124","Present",NA,NA
+"35697","Ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-4,5-dimethoxyphenyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-[(E)-1-chloro-2-(3,4-dimethoxyphenyl)-3-oxoprop-1-enyl]-4,5-dimethoxyphenyl]acetate",NA,"CCOC(=O)CC1=CC(=C(C=C1C(=C(C=O)C2=CC(=C(C=C2)OC)OC)Cl)OC)OC","QOKNXDZIVXHEOQ-QJOMJCCJSA-N",5386814,NA,"PDBC35697","618123","Present",NA,NA
+"35698","Ethyl 2-[2-[2-[2-[2-(benzyloxycarbonylamino)propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-[2-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoate",NA,"CCOC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1","LKNSGFCNIPMYTK-UHFFFAOYSA-N",382263,NA,"PDBC35698","669716","Present",NA,NA
+"35699","Ethyl 2-[2-[2-[2-[2-[2-[2-(benzyloxycarbonylamino)propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-[2-[2-[2-[2-[2-(phenylmethoxycarbonylamino)propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoylamino]propanoate",NA,"CCOC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OCC1=CC=CC=C1","JKESSPSSCVLVBZ-UHFFFAOYSA-N",382264,NA,"PDBC35699","669717","Present",NA,NA
+"35700","Ethyl 2-[2-[[2,2,2-trifluoro-1-(propanoylamino)-1-(trifluoromethyl)ethyl]amino]thiazol-5-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-[[2,2,2-trifluoro-1-(propanoylamino)-1-(trifluoromethyl)ethyl]amino]thiazol-5-yl]acetate",NA,"CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=NC=C(S1)CC(=O)OCC","MFZIVYFWDZPKNC-UHFFFAOYSA-N",383578,NA,"PDBC35700","671996","Present",NA,NA
+"35701","Ethyl 2-[3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidin-1-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[3-(2-hydroxyethoxymethyl)-2,6-dioxopyrimidin-1-yl]acetate",NA,"CCOC(=O)CN1C(=O)C=CN(C1=O)COCCO","BUICZBJDJZJDGZ-UHFFFAOYSA-N",386536,NA,"PDBC35701","678968","Present",NA,NA
+"35702","Ethyl 2-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-1-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[3-(2-hydroxyethoxymethyl)-5-methyl-2,6-dioxopyrimidin-1-yl]acetate",NA,"CCOC(=O)CN1C(=O)C(=CN(C1=O)COCCO)C","HTCZAXDWOQNSKM-UHFFFAOYSA-N",386538,NA,"PDBC35702","678970","Present",NA,NA
+"35703","Ethyl 2-[3-[1-(2-ethoxy-2-oxo-ethyl)-3-hydroxy-5-oxo-2H-pyrrol-4-yl]-5-oxo-2H-pyrrol-1-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[3-[1-(2-ethoxy-2-oxo-ethyl)-3-hydroxy-5-oxo-2H-pyrrol-4-yl]-5-oxo-2H-pyrrol-1-yl]acetate",NA,"CCOC(=O)CN1CC(=CC1=O)C2=C(CN(C2=O)CC(=O)OCC)O","AOLFTJBMUXRGGK-UHFFFAOYSA-N",54680445,NA,"PDBC35703","679191","Present",NA,NA
+"35704","Ethyl 2-[3-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]pyridin-1-ium-1-yl]acetate;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[3-[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]pyridin-1-ium-1-yl]acetate bromide",NA,"CCOC(=O)C[N+]1=CC=CC(=C1)C2(OCCO2)C3=CC4=CC=CC=C4N3.[Br-]","WGVUAAYGFAHZFF-UHFFFAOYSA-M",392292,NA,"PDBC35704","692426","Present",NA,NA
+"35705","Ethyl 2-[3-benzoyl-4-[(4-benzyloxyphenyl)methyl]-5-oxo-2-phenyl-oxazolidin-4-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[3-benzoyl-4-[(4-benzyloxyphenyl)methyl]-5-oxo-2-phenyl-oxazolidin-4-yl]acetate",NA,"CCOC(=O)CC1(C(=O)OC(N1C(=O)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=C(C=C4)OCC5=CC=CC=C5","PTIHGDYJIOWZET-UHFFFAOYSA-N",383833,NA,"PDBC35705","672450","Present",NA,NA
+"35706","Ethyl 2-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[3-oxo-6-(trifluoromethyl)-4H-quinoxalin-2-yl]propanoate",NA,"CCOC(=O)C(C)C1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O","XASNNFVQYWSPSR-UHFFFAOYSA-N",389433,NA,"PDBC35706","685515","Present",NA,NA
+"35707","Ethyl 2-[3-oxo-7-(trifluoromethyl)-4H-quinoxalin-2-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[3-oxo-7-(trifluoromethyl)-4H-quinoxalin-2-yl]propanoate",NA,"CCOC(=O)C(C)C1=NC2=C(C=CC(=C2)C(F)(F)F)NC1=O","ASNKMCRHFVWMSQ-UHFFFAOYSA-N",389432,NA,"PDBC35707","685514","Present",NA,NA
+"35708","Ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-10-hydroxy-9-oxo-10-prop-2-enylanthracen-1-yl]oxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[4-(2-ethoxy-2-oxoethoxy)-10-hydroxy-9-oxo-10-prop-2-enylanthracen-1-yl]oxyacetate",NA,"CCOC(=O)COC1=C2C(=C(C=C1)OCC(=O)OCC)C(C3=CC=CC=C3C2=O)(CC=C)O","ONAFPFZNRBLZOD-UHFFFAOYSA-N",24205239,NA,"PDBC35708","734719","Present",NA,NA
+"35709","Ethyl 2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-3,3,3-trifluoro-2-(3-methylbutanoylamino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-3,3,3-trifluoro-2-((3-methylbutanoyl)amino)propanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)CC(C)C","LUKRHXWOIHNNBT-UHFFFAOYSA-N",384765,NA,"PDBC35709","675201","Present",NA,NA
+"35710","Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-(methylcarbamoyloxymethyl)-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-(methylcarbamoyloxymethyl)-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate",NA,"CCOC(=O)CC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)COC(=O)NC","BREOAZMLSWYFIF-UHFFFAOYSA-N",54613610,NA,"PDBC35710","749600","Present",NA,NA
+"35711","Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[4-[tert-butyl(dimethyl)silyl]oxy-2-[(methylcarbamoylamino)methyl]-5-[6-(phenylcarbamoylamino)purin-9-yl]oxolan-3-yl]acetate",NA,"CCOC(=O)CC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC","YQHLFPUVCMEHJI-UHFFFAOYSA-N",45028657,NA,"PDBC35711","743565","Present",NA,NA
+"35712","Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-1-yl]acetate",NA,"CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=C(C=C3)N(N=N4)CC(=O)OCC)[O-])F","AXMJPEWXHCVVHP-UHFFFAOYSA-N",135426737,NA,"PDBC35712","713636","Present",NA,NA
+"35713","Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[5-[(7-ethoxy-6-fluoro-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-yl)amino]benzotriazol-2-yl]acetate",NA,"CCOC1=C(C=C2C(=C1)[N+](=C(C(=[N+]2[O-])C)NC3=CC4=NN(N=C4C=C3)CC(=O)OCC)[O-])F","CJYYCERYNHTVOL-UHFFFAOYSA-N",135426738,NA,"PDBC35713","713637","Present",NA,NA
+"35714","Ethyl 2-[5-methyl-4-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[5-methyl-4-(2-methyl-1,3-dioxolan-2-yl)furan-2-yl]propanoate",NA,"CCOC(=O)C(C)C1=CC(=C(O1)C)C2(OCCO2)C","MHJNTHSCEJZALD-UHFFFAOYSA-N",359527,NA,"PDBC35714","620510","Present",NA,NA
+"35715","Ethyl 2-[6-[(3-phenylquinoxalin-2-yl)amino]benzotriazol-1-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[6-[(3-phenylquinoxalin-2-yl)amino]benzotriazol-1-yl]acetate",NA,"CCOC(=O)CN1C2=C(C=CC(=C2)NC3=NC4=CC=CC=C4N=C3C5=CC=CC=C5)N=N1","ZQQKJLQFXWRZOV-UHFFFAOYSA-N",399758,NA,"PDBC35715","710852","Present",NA,NA
+"35716","Ethyl 2-[6-amino-9-[3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]purin-8-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[6-amino-9-[3,4-diacetoxy-5-(acetoxymethyl)tetrahydrofuran-2-yl]purin-8-yl]acetate",NA,"CCOC(=O)CC1=NC2=C(N=CN=C2N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)N","JILPFSJURDTFKI-UHFFFAOYSA-N",386039,NA,"PDBC35716","677605","Present",NA,NA
+"35717","Ethyl 2-[6-benzoyl-2-(nitromethyl)-6,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),10,12,14-tetraen-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[6-benzoyl-2-(nitromethyl)-6,16-diazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),10,12,14-tetraen-3-yl]acetate",NA,"CCOC(=O)CC1CCN(C2C1(C3=C(C2)C4=CC=CC=C4N3)C[N+](=O)[O-])C(=O)C5=CC=CC=C5","XXNGEZVFFRBSHS-UHFFFAOYSA-N",392528,NA,"PDBC35717","693044","Present",NA,NA
+"35718","Ethyl 2-[6-fluoro-7-(4-methylpiperazin-1-yl)-3-oxo-4H-quinoxalin-2-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[6-fluoro-7-(4-methylpiperazin-1-yl)-3-oxo-4H-quinoxalin-2-yl]propanoate",NA,"CCOC(=O)C(C)C1=NC2=CC(=C(C=C2NC1=O)F)N3CCN(CC3)C","WXTDXRYZPOHCHI-UHFFFAOYSA-N",393633,NA,"PDBC35718","695841","Present",NA,NA
+"35719","Ethyl 2-[7-(2-ethoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[7-(2-ethoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate",NA,"CCOC(=O)CN1CCNCCN(CCNCC1)CC(=O)OCC","OSUSAIGNKHQTHJ-UHFFFAOYSA-N",393880,NA,"PDBC35719","696841","Present",NA,NA
+"35720","Ethyl 2-[7-hydroxy-3-(4-nitrophenyl)-2-oxo-chroman-4-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[7-hydroxy-3-(4-nitrophenyl)-2-oxo-chroman-4-yl]acetate",NA,"CCOC(=O)CC1C(C(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)[N+](=O)[O-]","WPLFDBWMNQEMQG-UHFFFAOYSA-N",381105,NA,"PDBC35720","667268","Present",NA,NA
+"35721","Ethyl 2-[[1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]tetrazol-5-yl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glycine, N-(1-.beta.-D-ribofuranosyl-1H-tetrazol-5-yl)-,...",NA,"CCOC(=O)CNC1=NN=NN1C2C(C(C(O2)CO)O)O","VJYDCIQASGUGEE-UHFFFAOYSA-N",371131,NA,"PDBC35721","645091","Present",NA,NA
+"35722","Ethyl 2-[[2-(9H-fluoren-9-yl)acetyl]amino]-3-(4-nitrophenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[2-(9H-fluoren-9-yl)acetyl]amino]-3-(4-nitrophenyl)propanoate",NA,"CCOC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)CC2C3=CC=CC=C3C4=CC=CC=C24","CZDHNHKGWOVFMP-UHFFFAOYSA-N",374103,NA,"PDBC35722","651365","Present",NA,NA
+"35723","Ethyl 2-[[2-[3-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[2-[3-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1=C(N=C(S1)NC(=O)COC2=CC=CC(=C2)C=C3CCC4=C(C3=O)C=CC(=C4)OC)C","LLLFGHQEZVLOFU-XDHOZWIPSA-N",45028865,NA,"PDBC35723","744646","Present",NA,NA
+"35724","Ethyl 2-[[2-[3-[(Z)-(4-oxothiochromen-3-ylidene)methyl]phenoxy]acetyl]amino]-1,3-thiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[2-[3-[(Z)-(4-oxothiochromen-3-ylidene)methyl]phenoxy]acetyl]amino]-1,3-thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)NC(=O)COC2=CC=CC(=C2)C=C3CSC4=CC=CC=C4C3=O","JRWDEEVTLXYTJM-MHWRWJLKSA-N",45028767,NA,"PDBC35724","744072","Present",NA,NA
+"35725","Ethyl 2-[[2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[2-[4-[(E)-(6-methoxy-1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1=C(N=C(S1)NC(=O)COC2=CC=C(C=C2)C=C3CCC4=C(C3=O)C=CC(=C4)OC)C","GRVDEBZOEWDDEY-CPNJWEJPSA-N",45028866,NA,"PDBC35725","744647","Present",NA,NA
+"35726","Ethyl 2-[[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoyl]amino]acetate",NA,"CCOC(=O)CNC(=O)C1=CC=CC=C1NC2=CC(=NC=C2)C(F)(F)F","OQXQPZRGJISKEX-UHFFFAOYSA-N",24203371,NA,"PDBC35726","727687","Present",NA,NA
+"35727","Ethyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylpentanoate",NA,"CCOC(=O)C(CC(C)C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","GOEFRPYTTVKDQU-UHFFFAOYSA-N",399596,NA,"PDBC35727","710487","Present",NA,NA
+"35728","Ethyl 2-[[3,4-dicarbamoyl-5-(phenylcarbamothioylamino)-1H-pyrrol-2-yl]sulfanyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3.4-dicarbamoyl-5-ethoxycarbonyl-methylthiopyrrol- 2-...",NA,"CCOC(=O)CSC1=C(C(=C(N1)NC(=S)NC2=CC=CC=C2)C(=O)N)C(=O)N","WCVNWBWRMZMEAT-UHFFFAOYSA-N",3004910,NA,"PDBC35728","661168","Present",NA,NA
+"35729","Ethyl 2-[[4-[(E)-dimethylaminoazo]benzoyl]amino]-3-methyl-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[4-[(E)-dimethylaminoazo]benzoyl]amino]-3-methyl-butanoate",NA,"CCOC(=O)C(C(C)C)NC(=O)C1=CC=C(C=C1)N=NN(C)C","XQUIYEIYSSJMAB-UHFFFAOYSA-N",374091,NA,"PDBC35729","651351","Present",NA,NA
+"35730","Ethyl 2-[[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl ((5-(((4,5-diphenyl-1H-imidazol-2-yl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate",NA,"CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)CSC3=NC(=C(N3)C4=CC=CC=C4)C5=CC=CC=C5","RTAXFOWAYXMAMP-UHFFFAOYSA-N",373858,NA,"PDBC35730","650821","Present",NA,NA
+"35731","Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]-3-methyl-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]-3-methyl-butanoate",NA,"CCOC(=O)C(C(C)C)NC(=O)C1=C(N=CN1)N=NN(C)C","PGNZFAVCFLDIFM-ISLYRVAYSA-N",135499315,NA,"PDBC35731","651356","Present",NA,NA
+"35732","Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]-3-phenyl-propanoate",NA,"CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(N=CN2)N=NN(C)C","FUXSWPMIRUNSFI-QURGRASLSA-N",135499316,NA,"PDBC35732","651357","Present",NA,NA
+"35733","Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[5-[(E)-dimethylaminoazo]-1H-imidazole-4-carbonyl]amino]acetate",NA,"CCOC(=O)CNC(=O)C1=C(N=CN1)N=NN(C)C","FBTDTVJGRBRBRB-CCEZHUSRSA-N",135499314,NA,"PDBC35733","651355","Present",NA,NA
+"35734","Ethyl 2-[[6-(4-chlorophenyl)-7-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[6-(4-chlorophenyl)-7-(pyrrolidin-1-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]acetate",NA,"CCOC(=O)CSC1=NN=C2N1N=C(C(=C2)CN3CCCC3)C4=CC=C(C=C4)Cl","SQYAGHZKEGCNEG-UHFFFAOYSA-N",401099,NA,"PDBC35734","713922","Present",NA,NA
+"35735","Ethyl 2-[benzyl-[(1,3-dibenzoylindol-2-yl)methyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[benzyl-[(1,3-dibenzoylindol-2-yl)methyl]amino]acetate",NA,"CCOC(=O)CN(CC1=CC=CC=C1)CC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","VUPBALJRAAUIAB-UHFFFAOYSA-N",374842,NA,"PDBC35735","653268","Present",NA,NA
+"35736","Ethyl 2-acetamido-2-cyano-3-(1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-acetamido-2-cyano-3-(1H-indol-3-yl)propanoate",NA,"CCOC(=O)C(CC1=CNC2=CC=CC=C21)(C#N)NC(=O)C","SALBKJMLFPXFNF-UHFFFAOYSA-N",374710,NA,"PDBC35736","652895","Present",NA,NA
+"35737","Ethyl 2-acetamido-5-[4-(4-acetamido-5-ethoxy-5-oxo-pent-1-ynyl)phenyl]pent-4-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-acetamido-5-[4-(4-acetamido-5-ethoxy-5-oxo-pent-1-ynyl)phenyl]pent-4-ynoate",NA,"CCOC(=O)C(CC#CC1=CC=C(C=C1)C#CCC(C(=O)OCC)NC(=O)C)NC(=O)C","SEVRMINZSVYOHF-UHFFFAOYSA-N",379589,NA,"PDBC35737","664280","Present",NA,NA
+"35738","Ethyl 2-acetyl-3-phenyl-1H-isoquinoline-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-acetyl-3-phenyl-1,2-dihydro-4-isoquinolinecarboxylate",NA,"CCOC(=O)C1=C(N(CC2=CC=CC=C21)C(=O)C)C3=CC=CC=C3","DHUUQWNYFPJTTO-UHFFFAOYSA-N",372864,NA,"PDBC35738","648554","Present",NA,NA
+"35739","Ethyl 2-amino-3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-amino-3-cyano-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylate",NA,"CCOC(=O)C1(CCCC2=C1C(=C(S2)N)C#N)C","LPWNVZCFDOIUBM-UHFFFAOYSA-N",383366,NA,"PDBC35739","671480","Present",NA,NA
+"35740","Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-amino-3-cyano-4-methyl-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate",NA,"CCOC(=O)C1(CCC2=C1C(=C(S2)N)C#N)C","ITJDYMOUDAANMI-UHFFFAOYSA-N",383363,NA,"PDBC35740","671477","Present",NA,NA
+"35741","Ethyl 2-amino-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-amino-3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-4-carboxylate",NA,"CCOC(=O)C1CCCCC2=C1C(=C(S2)N)C#N","NWPBHWAQSPPVMT-UHFFFAOYSA-N",383368,NA,"PDBC35741","671482","Present",NA,NA
+"35742","Ethyl 2-amino-5,6-dihydro-1,10-phenanthroline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-amino-5,6-dihydro-1,10-phenanthroline-3-carboxylate",NA,"CCOC(=O)C1=C(N=C2C(=C1)CCC3=C2N=CC=C3)N","JNYAMUURIHRZEU-UHFFFAOYSA-N",372423,NA,"PDBC35742","647472","Present",NA,NA
+"35743","Ethyl 2-amino-5-(4-amino-3-ethoxycarbonylphenyl)sulfanylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XFYKIVIHHBDZRA-UHFFFAOYSA-N",NA,"CCOC(=O)C1=C(C=CC(=C1)SC2=CC(=C(C=C2)N)C(=O)OCC)N","XFYKIVIHHBDZRA-UHFFFAOYSA-N",393662,NA,"PDBC35743","695930","Present",NA,NA
+"35744","Ethyl 2-amino-5-[[3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-amino-5-[[3-[(4-chlorophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride",NA,"CCOC(=O)CNC(=O)C(CSC(=O)N(C1=CC=C(C=C1)Cl)O)NC(=O)CCC(C(=O)OCC)N.Cl","UGZFSSPAUFUEHY-UHFFFAOYSA-N",392750,NA,"PDBC35744","693569","Present",NA,NA
+"35745","Ethyl 2-anilino-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-anilino-1,3-dioxo-2,8-diazaspiro[4.5]decane-8-carboxylate",NA,"CCOC(=O)N1CCC2(CC1)CC(=O)N(C2=O)NC3=CC=CC=C3","JCYHWNYGYJQFBK-UHFFFAOYSA-N",380278,NA,"PDBC35745","665757","Present",NA,NA
+"35746","Ethyl 2-anilino-4-((phenylacetyl)hydrazono)-4,5-dihydro-3-thiophenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-anilino-4-((phenylacetyl)hydrazono)-4,5-dihydro-3-thiophenecarboxylate",NA,"CCOC(=O)C1=C(CSC1=NC2=CC=CC=C2)NNC(=O)CC3=CC=CC=C3","VOGYSDOJYXBRSZ-UHFFFAOYSA-N",367747,NA,"PDBC35746","637686","Present",NA,NA
+"35747","Ethyl 2-anilino-4-oxo-4,5-dihydro-3-thiophenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB-131/12688744",NA,"CCOC(=O)C1=C(CSC1=NC2=CC=CC=C2)O","PJMOPMXQAVHCTP-UHFFFAOYSA-N",135429943,NA,"PDBC35747","623029","Present",NA,NA
+"35748","Ethyl 2-benzamido-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzamido-1-cyano-6,7,8,9-tetrahydro-5H-pyrrolo[1,2-a]azepine-3-carboxylate",NA,"CCOC(=O)C1=C(C(=C2N1CCCCC2)C#N)NC(=O)C3=CC=CC=C3","WVDUPAGTVPRCFB-UHFFFAOYSA-N",394189,NA,"PDBC35748","697458","Present",NA,NA
+"35749","Ethyl 2-benzamido-2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3,3,3-trifluoro-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzamido-2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]phenyl]-3,3,3-trifluoro-propanoate",NA,"CCOC(=O)C(C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)C)C)(C(F)(F)F)NC(=O)C3=CC=CC=C3","WAIZHHOODAMWKP-UHFFFAOYSA-N",383667,NA,"PDBC35749","672085","Present",NA,NA
+"35750","Ethyl 2-benzamido-2-[4-chloro-2-(trifluoromethyl)anilino]-3,3,3-trifluoropropionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanoic acid, 3,3,3-trifluoro- 2-[[4-chloro-2-(trifluo...",NA,"CCOC(=O)C(C(F)(F)F)(NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC(=O)C2=CC=CC=C2","UHHDHHUOSDWAES-UHFFFAOYSA-N",389171,NA,"PDBC35750","684855","Present",NA,NA
+"35751","Ethyl 2-benzamido-2-benzyl-3-(5-hydroxypyridin-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzamido-2-benzyl-3-(5-hydroxy-2-pyridyl)propanoate",NA,"CCOC(=O)C(CC1=CC=CC=C1)(CC2=NC=C(C=C2)O)NC(=O)C3=CC=CC=C3","KIHHHCBZVPQVFU-UHFFFAOYSA-N",397813,NA,"PDBC35751","706389","Present",NA,NA
+"35752","Ethyl 2-benzamido-3,3,3-trifluoro-2-(piperonylamino)propionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL325884",NA,"CCOC(=O)C(C(F)(F)F)(NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3","WYHVFDDBLHCEJQ-UHFFFAOYSA-N",389131,NA,"PDBC35752","684816","Present",NA,NA
+"35753","Ethyl 2-benzamido-3,3,3-trifluoro-2-morpholinopropionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL322526",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)N2CCOCC2","BXCXPMIAMBTWPU-UHFFFAOYSA-N",389129,NA,"PDBC35753","684814","Present",NA,NA
+"35754","Ethyl 2-benzamido-3-(4-hydroxyanilino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzamido-3-(4-hydroxyanilino)propanoate",NA,"CCOC(=O)C(CNC1=CC=C(C=C1)O)NC(=O)C2=CC=CC=C2","KAAJPDCQBRIJAD-UHFFFAOYSA-N",332373,NA,"PDBC35754","329099","Present",NA,NA
+"35755","Ethyl 2-benzamido-3-(5-hydroxypyridin-2-yl)-2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzamido-3-(5-hydroxy-2-pyridyl)-2-methyl-propanoate",NA,"CCOC(=O)C(C)(CC1=NC=C(C=C1)O)NC(=O)C2=CC=CC=C2","UZJIEETVKCAVMW-UHFFFAOYSA-N",397812,NA,"PDBC35755","706388","Present",NA,NA
+"35756","Ethyl 2-benzoyl-4-(2-thienyl)-2,3-butadienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-.alpha.-benzoyl-.beta.(2-thenylidene)acrylate",NA,"CCOC(=O)C(=C=CC1=CC=CS1)C(=O)C2=CC=CC=C2","GFVGOFYFFHGBEW-UHFFFAOYSA-N",370285,NA,"PDBC35756","643136","Present",NA,NA
+"35757","Ethyl 2-benzoyl-5-benzyl-7,7-dichloro-2-azabicyclo[4.1.0]heptane-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-benzyl-7,7-dichloro-2-(phenylcarbonyl)-2-azabicyclo[4.1.0]heptane-5-carboxylate",NA,"CCOC(=O)C1(CCN(C2C1C2(Cl)Cl)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4","RCYHPNSOHVPTPQ-UHFFFAOYSA-N",402677,NA,"PDBC35757","716863","Present",NA,NA
+"35758","Ethyl 2-benzyl-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzyl-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,"CCOC(=O)C1(CC2=C(C1)C=C3CCCC3=C2)CC4=CC=CC=C4","HUMMYNAPKUOTDG-UHFFFAOYSA-N",382694,NA,"PDBC35758","670342","Present",NA,NA
+"35759","Ethyl 2-benzyl-1-(2-ethoxy-2-oxo-ethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzyl-1-(2-ethoxy-2-oxo-ethyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate",NA,"CCOC(=O)CC1(C2=C(CCN1CC3=CC=CC=C3)C4=CC=CC=C4N2)C(=O)OCC","AGXRALYBAZSIDF-UHFFFAOYSA-N",372190,NA,"PDBC35759","647140","Present",NA,NA
+"35760","Ethyl 2-benzyl-1-oxo-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzyl-1-oxo-2-indanecarboxylate",NA,"CCOC(=O)C1(CC2=CC=CC=C2C1=O)CC3=CC=CC=C3","OTRAGNSDDQCGIO-UHFFFAOYSA-N",382677,NA,"PDBC35760","670325","Present",NA,NA
+"35761","Ethyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate",NA,"CCOC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC=CC=C4","HQRXICSAHZVNDF-UHFFFAOYSA-N",384729,NA,"PDBC35761","674965","Present",NA,NA
+"35762","Ethyl 2-benzyl-4-oxo-1,3-dihydroisoquinoline-3-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627680",NA,"CCOC(=O)C1C(=O)C2=CC=CC=C2CN1CC3=CC=CC=C3.Cl","GLAARMNTTUOEMG-UHFFFAOYSA-N",363111,NA,"PDBC35762","627680","Present",NA,NA
+"35763","Ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)NC(=N3)CC4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl)C","DZJIFIQXARESFU-UHFFFAOYSA-N",45028044,NA,"PDBC35763","740840","Present",NA,NA
+"35764","Ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzyl-8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=C(N3)CC4=CC=CC=C4)CC5=C(C=C(C=C5)Cl)Cl)C","RWWYRUJGSKMFHL-UHFFFAOYSA-N",45028045,NA,"PDBC35764","740841","Present",NA,NA
+"35765","Ethyl 2-benzylazepane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-benzylazepane-2-carboxylate",NA,"CCOC(=O)C1(CCCCCN1)CC2=CC=CC=C2","ARFWYGBVJQPYOZ-UHFFFAOYSA-N",360277,NA,"PDBC35765","622302","Present",NA,NA
+"35766","Ethyl 2-benzylsulfanylimidazo[2,1-a]isoquinoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AF-407/34872015",NA,"CCOC(=O)C1=C(N=C2N1C=CC3=CC=CC=C32)SCC4=CC=CC=C4","KIIITABSNSDVRV-UHFFFAOYSA-N",389958,NA,"PDBC35766","686661","Present",NA,NA
+"35767","Ethyl 2-butyramido-3,3,3-trifluoro-2-morpholinopropionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FIUDVPUYCAIGIO-UHFFFAOYSA-N",NA,"CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)N1CCOCC1","FIUDVPUYCAIGIO-UHFFFAOYSA-N",389133,NA,"PDBC35767","684818","Present",NA,NA
+"35768","Ethyl 2-carbamoyl-2-[7-nitro-3-(2-oxo-2-phenylethylidene)(4-hydroquinoxalin-2-yl)]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-amino-2-[3-[(Z)-2-hydroxy-2-phenylethenyl]-7-nitroquinoxalin-2-yl]-3-oxopropanoate",NA,"CCOC(=O)C(C1=NC2=C(C=CC(=C2)[N+](=O)[O-])N=C1C=C(C3=CC=CC=C3)O)C(=O)N","HVIHWUPIONXQQO-BOPFTXTBSA-N",135426688,NA,"PDBC35768","707073","Present",NA,NA
+"35769","Ethyl 2-chloro-2-((((1-chloro-1-(ethoxycarbonyl)-2,2,2-trifluoroethyl)amino)carbonyl)amino)-3,3,3-trifluoropropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-chloro-2-[(2-chloro-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)carbamoylamino]-3,3,3-trifluoropropanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)NC(C(=O)OCC)(C(F)(F)F)Cl)Cl","HJBOFZUWVGXUEQ-UHFFFAOYSA-N",383657,NA,"PDBC35769","672075","Present",NA,NA
+"35770","Ethyl 2-chloro-5-[(E)-(diaminomethylidenehydrazinylidene)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-chloro-5-[(E)-(diaminomethylidenehydrazinylidene)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxylate;hydrochloride",NA,"CCOC(=O)C1=C(N2C=C(SC2=N1)Cl)C=NN=C(N)N.Cl","POVTYZVZWYFLMO-UFJIHACCSA-N",24203150,NA,"PDBC35770","726890","Present",NA,NA
+"35771","Ethyl 2-cyano-2-(7-methoxy-3,4-dioxonaphthalen-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-cyano-2-(7-methoxy-3,4-dioxonaphthalen-1-yl)acetate",NA,"CCOC(=O)C(C#N)C1=CC(=O)C(=O)C2=C1C=C(C=C2)OC","WJOMOINXACWEMA-UHFFFAOYSA-N",356235,NA,"PDBC35771","611388","Present",NA,NA
+"35772","Ethyl 2-cyano-3-(4-((2-furylmethyl)thio)-3-(hydroxy(oxido)amino)phenyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-cyano-3-(4-((2-furylmethyl)thio)-3-(hydroxy(oxido)amino)phenyl)acrylate",NA,"CCOC(=O)C(=CC1=CC(=C(C=C1)SCC2=CC=CO2)[N+](=O)[O-])C#N","ZEPUUVIRGHGCLB-MDWZMJQESA-N",5468616,NA,"PDBC35772","672869","Present",NA,NA
+"35773","Ethyl 2-cyano-3-(4-quinoline)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-cyano-3-(4-quinoline)acrylate",NA,"CCOC(=O)C(=CC1=CC=NC2=CC=CC=C12)C#N","NHAQXIGAEKRJQM-FMIVXFBMSA-N",5467937,NA,"PDBC35773","660159","Present",NA,NA
+"35774","Ethyl 2-cyano-3-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-cyano-3-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)acrylate",NA,"CCOC(=O)C(=CC1=COC2=CC(=CC(=C2C1=O)C)C)C#N","KGUSYBNSVVMEON-KPKJPENVSA-N",5468618,NA,"PDBC35774","672871","Present",NA,NA
+"35775","Ethyl 2-cyano-3-(5-hydroxymethyl-2-furyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-cyano-3-(5-hydroxymethyl-2-furyl)acrylate",NA,"CCOC(=O)C(=CC1=CC=C(O1)CO)C#N","ALTDTSSIBTUZCU-VMPITWQZSA-N",5467932,NA,"PDBC35775","660154","Present",NA,NA
+"35776","Ethyl 2-cyano-6,7-dimethyl-1,1-dioxo-4H-furo[3,2-b][1,4]thiazine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-cyano-6,7-dimethyl-4H-furo[3,2-b][1,4]thiazine-3-carboxylate 1,1-dioxide",NA,"CCOC(=O)C1=C(S(=O)(=O)C2=C(N1)OC(=C2C)C)C#N","QREIYDKFRNPXNY-UHFFFAOYSA-N",392830,NA,"PDBC35776","693808","Present",NA,NA
+"35777","Ethyl 2-cyclopent-3-en-1-yl-3-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-cyclopent-3-en-1-yl-3-oxobutanoate",NA,"CCOC(=O)C(C1CC=CC1)C(=O)C","KUQJHADCWCBFRL-UHFFFAOYSA-N",357674,NA,"PDBC35777","617191","Present",NA,NA
+"35778","Ethyl 2-diazo-3-oxo-3-(tetrazolo[5,1-a]phthalazin-6-ylamino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-diazo-3-oxo-3-(tetrazolo[5,1-a]phthalazin-6-ylamino)propanoate",NA,"CCOC(=O)C(=[N+]=[N-])C(=O)NC1=NN2C(=NN=N2)C3=CC=CC=C31","ATZISFOTIRQALD-UHFFFAOYSA-N",389855,NA,"PDBC35778","686487","Present",NA,NA
+"35779","Ethyl 2-diazo-3-oxo-4-thiocyanato-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-diazo-3-oxo-4-thiocyanato-butanoate",NA,"CCOC(=O)C(=[N+]=[N-])C(=O)CSC#N","IYRXPRWWLVFITN-UHFFFAOYSA-N",394444,NA,"PDBC35779","697919","Present",NA,NA
+"35780","Ethyl 2-diazo-4-(1,3-dioxoisoindolin-2-yl)-3-oxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-diazo-4-(1,3-dioxoisoindolin-2-yl)-3-oxo-butanoate",NA,"CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(=O)C2=CC=CC=C2C1=O","OULJBQPWQZMXTC-UHFFFAOYSA-N",373273,NA,"PDBC35780","649426","Present",NA,NA
+"35781","Ethyl 2-diazo-4-(1-hydroxy-5,6-dimethyl-3-oxo-3a,4,7,7a-tetrahydro-1H-isoindol-2-yl)-3-oxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-diazo-4-(1-hydroxy-5,6-dimethyl-3-oxo-3a,4,7,7a-tetrahydro-1H-isoindol-2-yl)-3-oxo-butanoate",NA,"CCOC(=O)C(=[N+]=[N-])C(=O)CN1C(C2CC(=C(CC2C1=O)C)C)O","JBRLCDUTRGXQKV-UHFFFAOYSA-N",373302,NA,"PDBC35781","649451","Present",NA,NA
+"35782","Ethyl 2-diethoxyphosphoryl-3-hydroxy-3-(4-nitrophenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-diethylphophono-3-(p-nitrophenyl)-3-hydroxy prop...",NA,"CCOC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)P(=O)(OCC)OCC","HPXHVYAJDITCRU-UHFFFAOYSA-N",370247,NA,"PDBC35782","643020","Present",NA,NA
+"35783","Ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-(4-fluorophenyl)methyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate",NA,"CCOC1=C(C(=C(C(=O)N1)C(C2=CC=C(C=C2)F)C3=C(C(=C(NC3=O)OCC)C(=O)OCC)O)O)C(=O)OCC","KALQWLGRPVYYBZ-UHFFFAOYSA-N",54695411,NA,"PDBC35783","722821","Present",NA,NA
+"35784","Ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-ethoxy-5-[(6-ethoxy-5-ethoxycarbonyl-4-hydroxy-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate",NA,"CCOC1=C(C(=C(C(=O)N1)C(C2=CC=CS2)C3=C(C(=C(NC3=O)OCC)C(=O)OCC)O)O)C(=O)OCC","QWEIRSUQMPTIKN-UHFFFAOYSA-N",54695397,NA,"PDBC35784","722804","Present",NA,NA
+"35785","Ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-2-(4-methoxyphenyl)vinyl]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-ethoxycarbonyloxy-3-[(Z)-1-ethoxycarbonyloxy-2-(4-methoxyphenyl)vinyl]indole-1-carboxylate",NA,"CCOC(=O)N1C2=CC=CC=C2C(=C1OC(=O)OCC)C(=CC3=CC=C(C=C3)OC)OC(=O)OCC","MWLIAWYPZMNZEM-PGMHBOJBSA-N",5468209,NA,"PDBC35785","666117","Present",NA,NA
+"35786","Ethyl 2-ethyl-1-oxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-ethyl-1-oxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate",NA,"CCN1C=C(C2=NC3=CC=CC=C3N2C1=O)C(=O)OCC","OLRRPAZFIHMFEI-UHFFFAOYSA-N",395848,NA,"PDBC35786","700851","Present",NA,NA
+"35787","Ethyl 2-ethyl-2-(2-((4-(hydroxy(oxido)amino)phenyl)hydrazono)propanoyl)-1-phenylhydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-ethyl-2-(2-((4-(hydroxy(oxido)amino)phenyl)hydrazono)propanoyl)-1-phenylhydrazinecarboxylate",NA,"CCN(C(=O)C(=NNC1=CC=C(C=C1)[N+](=O)[O-])C)N(C2=CC=CC=C2)C(=O)OCC","QZKLOSSYZKNXJH-RCCKNPSSSA-N",9571411,NA,"PDBC35787","655056","Present",NA,NA
+"35788","Ethyl 2-ethyl-6-(4-morpholinyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-ethyl-6-(4-morpholinyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate",NA,"CCC1=NC(N=C(O1)N2CCOCC2)(C(=O)OCC)C(F)(F)F","YBOXPQACOABEJC-UHFFFAOYSA-N",383685,NA,"PDBC35788","672103","Present",NA,NA
+"35789","Ethyl 2-ethyl-7-oxoazepane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-ethyl-7-oxoazepane-2-carboxylate",NA,"CCC1(CCCCC(=O)N1)C(=O)OCC","LNOKPACKQBIGTO-UHFFFAOYSA-N",360276,NA,"PDBC35789","622301","Present",NA,NA
+"35790","Ethyl 2-hydroxy-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthrene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-hydroxy-2,3,3a,11b-tetrahydro-1H-cyclopenta[l]phenanthrene-1-carboxylate",NA,"CCOC(=O)C1C(CC2C1C3=CC=CC=C3C4=CC=CC=C24)O","XBBKGMWUFSFRON-UHFFFAOYSA-N",273923,NA,"PDBC35790","119621","Present",NA,NA
+"35791","Ethyl 2-hydroxy-3-(2-quinoxalinyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-hydroxy-3-(2-quinoxalinyl)propanoate",NA,"CCOC(=O)C(CC1=NC2=CC=CC=C2N=C1)O","XFNWPISIHLSULE-UHFFFAOYSA-N",241510,NA,"PDBC35791","48961","Present",NA,NA
+"35792","Ethyl 2-hydroxypyrido[3',2':5,6]thiopyrano[4,3,2-de]quinoline-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 15-oxo-8-thia-6,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17)-heptaene-16-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=CC=C3)SC4=CC=CC(=C42)NC1=O","RFPIBMZCWZLLFV-UHFFFAOYSA-N",5465992,NA,"PDBC35792","671268","Present",NA,NA
+"35793","Ethyl 2-methyl-1-(4-methylphenyl)-5-oxo-4,6,7-triphenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-5-oxo-4,6,7-triphenyl-1-(p-tolyl)-4,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C(C1C3=CC=CC=C3)C(=O)N(C2C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C)C","CBGKKIUWQREWJM-UHFFFAOYSA-N",372843,NA,"PDBC35793","648535","Present",NA,NA
+"35794","Ethyl 2-methyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate",NA,"CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C","DOIOJXMAZVGICV-UHFFFAOYSA-N",395847,NA,"PDBC35794","700850","Present",NA,NA
+"35795","Ethyl 2-methyl-2-((2-oxo-4-phenyl-2H-chromen-7-yl)oxy)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-2-((2-oxo-4-phenyl-2H-chromen-7-yl)oxy)propanoate",NA,"CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3","KLWSFBDMUQSNPC-UHFFFAOYSA-N",373065,NA,"PDBC35795","648897","Present",NA,NA
+"35796","Ethyl 2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanoate",NA,"CCOC(=O)C(C)(C)OC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3","AQXCUKCNPFDHAX-UHFFFAOYSA-N",371314,NA,"PDBC35796","645388","Present",NA,NA
+"35797","Ethyl 2-methyl-4-oxo-2,3,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),10,12-triene-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-4-oxo-2,3,8,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),10,12-triene-7-carboxylate",NA,"CCOC(=O)C12CCC(=O)N1N(C3=C(N2)C=CC=N3)C","KDHNUVXFYQMVIC-UHFFFAOYSA-N",396077,NA,"PDBC35797","701587","Present",NA,NA
+"35798","Ethyl 2-methyl-4-oxo-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-11-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-4-oxo-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-11-carboxylate",NA,"CCOC(=O)C1=C2C=CC=CC=C2N3C1=NC(=CC3=O)C","NQSVQZSJADGUFD-UHFFFAOYSA-N",363759,NA,"PDBC35798","628951","Present",NA,NA
+"35799","Ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate",NA,"CCOC(=O)C1=C(OC(=N1)C)C(F)(F)F","LZPNPKUTEBIRPQ-UHFFFAOYSA-N",357620,NA,"PDBC35799","617144","Present",NA,NA
+"35800","Ethyl 2-methyl-5-oxo-1,4,6,7-tetraphenyl-4,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-5-oxo-1,4,6,7-tetraphenyl-4,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C(C1C3=CC=CC=C3)C(=O)N(C2C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C","BUDLMGJZVGXNTM-UHFFFAOYSA-N",372842,NA,"PDBC35800","648534","Present",NA,NA
+"35801","Ethyl 2-methyl-5-oxo-1-(phenylcarbamoylamino)-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-5-oxo-1-(phenylcarbamoylamino)-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=O)C1=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)NC5=CC=CC=C5)C","VAIHVLMZTMNPID-UHFFFAOYSA-N",365763,NA,"PDBC35801","633793","Present",NA,NA
+"35802","Ethyl 2-methyl-5-oxo-4,6,7-triphenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-5-oxo-4,6,7-triphenyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,4-b]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)N(C2C4=CC=CC=C4)C5=CC=CC=C5)C","KATWQHOUROBKOP-UHFFFAOYSA-N",372841,NA,"PDBC35802","648533","Present",NA,NA
+"35803","Ethyl 2-methyl-6-oxo-6,9-dihydro-2H-[1,2,3]triazolo[4,5-h]quinoline-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-6-oxo-6,9-dihydro-2H-[1,2,3]triazolo[4,5-h]quinoline-7-carboxylate",NA,"CCOC(=O)C1=CN=C2C(=CC=C3C2=NN(N3)C)C1=O","WORXWILGLJKEPI-UHFFFAOYSA-N",370612,NA,"PDBC35803","643903","Present",NA,NA
+"35804","Ethyl 2-methyl-7-oxoazepane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-methyl-7-oxoazepane-2-carboxylate",NA,"CCOC(=O)C1(CCCCC(=O)N1)C","LLTKFPYOHKLIAH-UHFFFAOYSA-N",360273,NA,"PDBC35804","622298","Present",NA,NA
+"35805","Ethyl 2-methylimidazo[1,2-a]pyridine-3-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 2-methylimidazo[1,2-a]pyridine-3-ylcarbamate",NA,"CCOC(=O)NC1=C(N=C2N1C=CC=C2)C","XXLWOWLUUMHFHR-UHFFFAOYSA-N",24205442,NA,"PDBC35805","735536","Present",NA,NA
+"35806","Ethyl 2-oxo-1-(4-pentenoyl)-3-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-oxo-1-pent-4-enoylpyrrolidine-3-carboxylate",NA,"CCOC(=O)C1CCN(C1=O)C(=O)CCC=C","XJMZIIQVIBCHKW-UHFFFAOYSA-N",394460,NA,"PDBC35806","697934","Present",NA,NA
+"35807","Ethyl 2-oxo-1-(phenylseleno)cyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-oxo-1-(phenylseleno)cyclopentanecarboxylate",NA,"CCOC(=O)C1(CCCC1=O)[Se]C2=CC=CC=C2","RMSARSBSDZTIQU-UHFFFAOYSA-N",371755,NA,"PDBC35807","646198","Present",NA,NA
+"35808","Ethyl 2-oxo-2-(2,4,5-trichloroanilino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK059233",NA,"CCOC(=O)C(=O)NC1=CC(=C(C=C1Cl)Cl)Cl","RVJMQHWMRNKBSY-UHFFFAOYSA-N",364759,NA,"PDBC35808","631518","Present",NA,NA
+"35809","Ethyl 2-oxo-2-[2-(trifluoromethyl)anilino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL261073",NA,"CCOC(=O)C(=O)NC1=CC=CC=C1C(F)(F)F","MSCBOQJZOMFVOS-UHFFFAOYSA-N",366746,NA,"PDBC35809","635519","Present",NA,NA
+"35810","Ethyl 2-oxo-3-(triphenylphosphoranylidene)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT021089",NA,"CCOC(=O)C(=O)C=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","OQLOPRPWPANPIE-UHFFFAOYSA-N",372288,NA,"PDBC35810","647346","Present",NA,NA
+"35811","Ethyl 2-oxo-4,6-diphenyl-3-(8-quinolinylmethyl)-2H-pyran-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-oxo-4,6-diphenyl-3-(8-quinolinylmethyl)-2H-pyran-5-carboxylate",NA,"CCOC(=O)C1=C(OC(=O)C(=C1C2=CC=CC=C2)CC3=CC=CC4=C3N=CC=C4)C5=CC=CC=C5","XUPLFNBASVDMAJ-UHFFFAOYSA-N",379462,NA,"PDBC35811","664015","Present",NA,NA
+"35812","Ethyl 2-oxo-6-(phenylsulfanylmethyl)chromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CMOOBRNNWYVBQU-UHFFFAOYSA-N",NA,"CCOC(=O)C1=CC2=C(C=CC(=C2)CSC3=CC=CC=C3)OC1=O","CMOOBRNNWYVBQU-UHFFFAOYSA-N",402511,NA,"PDBC35812","716538","Present",NA,NA
+"35813","Ethyl 2-oxohexahydrocyclopropa[cd]pentalene-4b(1H)-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AUDPPLJGEFKHCK-UHFFFAOYSA-N",NA,"CCOC(=O)C12C3CCC1C2C(=O)C3","AUDPPLJGEFKHCK-UHFFFAOYSA-N",390954,NA,"PDBC35813","689207","Present",NA,NA
+"35814","Ethyl 2-phenyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-phenyl-1-thioxo-1,2-dihydropyrimido[1,6-a]benzimidazole-4-carboxylate",NA,"CCOC(=O)C1=CN(C(=S)N2C1=NC3=CC=CC=C32)C4=CC=CC=C4","DUGHEVHYXNELJE-UHFFFAOYSA-N",395850,NA,"PDBC35814","700853","Present",NA,NA
+"35815","Ethyl 2-{[(8-hydroxyquinolin-7-yl)(phenyl)methyl]amino}benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[.ALPHA.-(8-HYDROXY-7-QUINOLYL)BENZYL]AMINO]BENZOIC A...",NA,"CCOC(=O)C1=CC=CC=C1NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O","CFRIVAVQXGZCHZ-UHFFFAOYSA-N",219567,NA,"PDBC35815","1015","Present",NA,NA
+"35816","Ethyl 2H-1,4-benzothiazin-3-ylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EN300-06462",NA,"CCOC(=O)CC1=NC2=CC=CC=C2SC1","IOUCNRJGEKPBCN-UHFFFAOYSA-N",365879,NA,"PDBC35816","633956","Present",NA,NA
+"35817","Ethyl 3,3,3-trifluoro-2-(((4-fluoroanilino)carbonyl)amino)-2-hydroxypropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,3,3-trifluoro-2-(((4-fluoroanilino)carbonyl)amino)-2-hydroxypropanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)F)O","BWTPRZPEPJFKFX-UHFFFAOYSA-N",383659,NA,"PDBC35817","672077","Present",NA,NA
+"35818","Ethyl 3,3,3-trifluoro-2-((2-fluorobenzoyl)amino)-2-hydroxypropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,3,3-trifluoro-2-((2-fluorobenzoyl)amino)-2-hydroxypropanoate",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1F)O","FXAKASMYYMSKHS-UHFFFAOYSA-N",389140,NA,"PDBC35818","684825","Present",NA,NA
+"35819","Ethyl 3,3-di(1-aziridinyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,3-di(1-aziridinyl)propanoate",NA,"CCOC(=O)CC(N1CC1)N2CC2","ICZOIUCOVUFDLN-UHFFFAOYSA-N",377655,NA,"PDBC35819","659236","Present",NA,NA
+"35820","Ethyl 3,4-dimethoxy-alpha-benzoyl cinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,4-dimethoxy-.alpha.-benzoyl cinnamate",NA,"CCOC(=O)C(=CC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC=CC=C2","KDSAZSRAGUJYGY-FOWTUZBSSA-N",50990128,NA,"PDBC35820","643170","Present",NA,NA
+"35821","Ethyl 3,4-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,4-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate",NA,"CCOC(=O)C1CC2=C(C(C1C)C)C3=CC=CC=C3N2","ZBGCHLZCCPYOGO-UHFFFAOYSA-N",373649,NA,"PDBC35821","650369","Present",NA,NA
+"35822","Ethyl 3,5-dibromo-1-methyl-4-(4-nitrophenyl)pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,5-dibromo-1-methyl-4-(4-nitrophenyl)pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=C(N1C)Br)C2=CC=C(C=C2)[N+](=O)[O-])Br","IDDOOEKVAPJKAG-UHFFFAOYSA-N",378970,NA,"PDBC35822","662562","Present",NA,NA
+"35823","Ethyl 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,5-dibromo-4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=C(N1)Br)C2=CC(=C(C=C2)OC)OC)Br","OMASOAOYMQBFGC-UHFFFAOYSA-N",378973,NA,"PDBC35823","662565","Present",NA,NA
+"35824","Ethyl 3,5-dibromo-4-(4-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,5-dibromo-4-(4-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=C(N1C)Br)C2=CC=C(C=C2)Br)Br","JNWCJHNVDNASDR-UHFFFAOYSA-N",378971,NA,"PDBC35824","662563","Present",NA,NA
+"35825","Ethyl 3,5-dibromo-4-(4-bromophenyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-2-carboxylic acid, 4-(4-bromophenyl)-3,5-dibr...",NA,"CCOC(=O)C1=C(C(=C(N1)Br)C2=CC=C(C=C2)Br)Br","BLHGOYXIPZHZDY-UHFFFAOYSA-N",378972,NA,"PDBC35825","662564","Present",NA,NA
+"35826","Ethyl 3,5-dibromo-4-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,5-dibromo-4-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=C(N1C)Br)C2=CC=C(C=C2)OC)Br","IUXQWTPCTXMXNF-UHFFFAOYSA-N",378969,NA,"PDBC35826","662561","Present",NA,NA
+"35827","Ethyl 3,5-dinitro-2-(7H-purin-6-ylsulfanyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 3,5-dinitro-2-(1H-purin-6-ylthio)-, ethyl ...",NA,"CCOC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])SC2=NC=NC3=C2NC=N3","IPWMNOSWXXOIJR-UHFFFAOYSA-N",4331266,NA,"PDBC35827","244714","Present",NA,NA
+"35828","Ethyl 3,5-dinitro-4-(7H-purin-6-ylsulfanyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 3,5-dinitro-4-(1H-purin-6-ylthio)-, ethyl ...",NA,"CCOC(=O)C1=CC(=C(C(=C1)[N+](=O)[O-])SC2=NC=NC3=C2NC=N3)[N+](=O)[O-]","WTXYVXWWBVDERD-UHFFFAOYSA-N",3938430,NA,"PDBC35828","244708","Present",NA,NA
+"35829","Ethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1-carboxylate",NA,"CCOC(=O)N1C(=O)N(C(=O)N1)C2=CC=CC=C2","UPLUTGKGPUCJTB-UHFFFAOYSA-N",388175,NA,"PDBC35829","682740","Present",NA,NA
+"35830","Ethyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,6-dihydroxy-4-(4-hydroxy-3-methoxy-phenyl)-6-methyl-2,4,5,7-tetrahydroindazole-5-carboxylate",NA,"CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC(=C(C=C3)O)OC","GOQAODGEMIJTDA-UHFFFAOYSA-N",392847,NA,"PDBC35830","693859","Present",NA,NA
+"35831","Ethyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-2-phenyl-5,7-dihydro-4H-indazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-hydroxy-4-(4-methoxyphenyl)-6-methyl-3-oxo-2-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate",NA,"CCOC(=O)C1C(C2=C(CC1(C)O)NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC","OZDDGXXLKKQLNX-UHFFFAOYSA-N",392845,NA,"PDBC35831","693857","Present",NA,NA
+"35832","Ethyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3,6-dihydroxy-4-(4-methoxyphenyl)-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate",NA,"CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC=C(C=C3)OC","ISQRJJLVEYIAOG-UHFFFAOYSA-N",392843,NA,"PDBC35832","693855","Present",NA,NA
+"35833","Ethyl 3-(((6-(((3-ethoxy-3-oxopropyl)amino)carbonyl)-2,8-dimethyl-4-phenoxathiinyl)carbonyl)amino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[[6-[(3-ethoxy-3-oxopropyl)carbamoyl]-2,8-dimethylphenoxathiine-4-carbonyl]amino]propanoate",NA,"CCOC(=O)CCNC(=O)C1=C2C(=CC(=C1)C)SC3=CC(=CC(=C3O2)C(=O)NCCC(=O)OCC)C","YNRQEGRCFMMXQA-UHFFFAOYSA-N",388288,NA,"PDBC35833","682929","Present",NA,NA
+"35834","Ethyl 3-((acetyl(methyl)amino)oxy)-3-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-((acetyl(methyl)amino)oxy)-3-oxopropanoate",NA,"CCOC(=O)CC(=O)ON(C)C(=O)C","YBNZVRKNFHSBFA-UHFFFAOYSA-N",371720,NA,"PDBC35834","646169","Present",NA,NA
+"35835","Ethyl 3-((acetyloxy)methyl)-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-((acetyloxy)methyl)-4,5,6,7,8,9,10,11,12,13-decahydro-2H-cyclododeca[c]pyrrole-1-carboxylate",NA,"CCOC(=O)C1=C2CCCCCCCCCCC2=C(N1)COC(=O)C","QXSITRBXWYTNOD-UHFFFAOYSA-N",361647,NA,"PDBC35835","624865","Present",NA,NA
+"35836","Ethyl 3-((methyl(phenylacetyl)amino)oxy)-3-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-((methyl(phenylacetyl)amino)oxy)-3-oxopropanoate",NA,"CCOC(=O)CC(=O)ON(C)C(=O)CC1=CC=CC=C1","NPNLAUWTSWBZIU-UHFFFAOYSA-N",371723,NA,"PDBC35836","646172","Present",NA,NA
+"35837","Ethyl 3-(1,1-diemthylethyl)amino-2-(1H-benzimidazol-2-yl) acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(1,1-diemthylethyl)amino-2-(1H-benzimidazol-2-yl...",NA,"CCOC(=O)C(=CNC(C)(C)C)C1=NC2=CC=CC=C2N1","JTRAJTYBRPARLC-KHPPLWFESA-N",5471368,NA,"PDBC35837","710863","Present",NA,NA
+"35838","Ethyl 3-(1,1-dimethylethyl)amino-2-(benzoxazol-2-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(1,1-dimethylethyl)amino-2-(benzoxazol-2-yl)acry...",NA,"CCOC(=O)C(=CNC(C)(C)C)C1=NC2=CC=CC=C2O1","MLQLSUKECQXOOB-KHPPLWFESA-N",5471370,NA,"PDBC35838","710865","Present",NA,NA
+"35839","Ethyl 3-(1-acetyl-1H-indol-3-yl)-2-(diethoxyphosphoryl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(1-acetyl-1H-indol-3-yl)-2-(diethoxyphosphoryl)propanoate",NA,"CCOC(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)C)P(=O)(OCC)OCC","YQTBZDKZLZTNRV-UHFFFAOYSA-N",382172,NA,"PDBC35839","669631","Present",NA,NA
+"35840","Ethyl 3-(1-formyl-2-oxocyclohexyl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(1-formyl-2-oxocyclohexyl)butanoate",NA,"CCOC(=O)CC(C)C1(CCCCC1=O)C=O","HOBCAXFJIUOXQJ-UHFFFAOYSA-N",371773,NA,"PDBC35840","646217","Present",NA,NA
+"35841","Ethyl 3-(1H-benzimidazol-7-ylamino)-3-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(1H-benzimidazol-7-ylamino)-3-oxopropanoate",NA,"CCOC(=O)CC(=O)NC1=CC=CC2=C1N=CN2","MNQCTMKWQNNLOI-UHFFFAOYSA-N",393558,NA,"PDBC35841","695628","Present",NA,NA
+"35842","Ethyl 3-(1H-indol-3-yl)-4-methyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(1H-indol-3-yl)-4-methyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=CN1)C)C2=CNC3=CC=CC=C32","GAZXWZKUAACEMC-UHFFFAOYSA-N",390183,NA,"PDBC35842","687344","Present",NA,NA
+"35843","Ethyl 3-(2,2-diethoxyethyl)amino-2-(1H-benzimidazol-2-yl) acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(2,2-diethoxyethyl)amino-2-(1H-benzimidazol-2-yl...",NA,"CCOC(CNC=C(C1=NC2=CC=CC=C2N1)C(=O)OCC)OCC","SWJPPVWOTZQBML-QBFSEMIESA-N",5471362,NA,"PDBC35843","710857","Present",NA,NA
+"35844","Ethyl 3-(2,3-dihydro-1H-inden-5-yl)-2-(2,3-dihydro-1H-inden-5-ylmethyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(2,3-dihydro-1H-inden-5-yl)-2-(2,3-dihydro-1H-inden-5-ylmethyl)propanoate",NA,"CCOC(=O)C(CC1=CC2=C(CCC2)C=C1)CC3=CC4=C(CCC4)C=C3","YMQDOTMHVOTRQW-UHFFFAOYSA-N",382779,NA,"PDBC35844","670457","Present",NA,NA
+"35845","Ethyl 3-(2,3-dimethylanilino)-3-oxopropanimidate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(2,3-dimethylanilino)-3-oxopropanimidate;hydrochloride",NA,"CCOC(=N)CC(=O)NC1=CC=CC(=C1C)C.Cl","XWLLTNBSQVHMQY-UHFFFAOYSA-N",359789,NA,"PDBC35845","621353","Present",NA,NA
+"35846","Ethyl 3-(2-benzylidene-1-ethylhydrazino)-2-cyanoacrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(2-benzylidene-1-ethylhydrazino)-2-cyanoacrylate",NA,"CCN(C=C(C#N)C(=O)OCC)N=CC1=CC=CC=C1","YLCKQMBAQJUMIP-WYPLEBNESA-N",9571654,NA,"PDBC35846","695609","Present",NA,NA
+"35847","Ethyl 3-(2-chloro-3-methylanilino)-3-oxopropanimidate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621195///NSC621378",NA,"CCOC(=N)CC(=O)NC1=CC=CC(=C1Cl)C.Cl","YQWZAZROQNRBFC-UHFFFAOYSA-N",359750,NA,"PDBC35847","621195///621378","Present",NA,NA
+"35848","Ethyl 3-(2-ethylanilino)-3-oxopropanimidate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(2-ethylanilino)-3-oxopropanimidate;hydrochloride",NA,"CCC1=CC=CC=C1NC(=O)CC(=N)OCC.Cl","UVNRLYZRMCFKHL-UHFFFAOYSA-N",359794,NA,"PDBC35848","621356","Present",NA,NA
+"35849","Ethyl 3-(2-hydroxy-1,1-dimethylethyl)amino-2-(1H-benzimidazol-2-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(2-hydroxy-1,1-dimethylethyl)amino-2-(1H- benzim...",NA,"CCOC(=O)C(=CNC(C)(C)CO)C1=NC2=CC=CC=C2N1","WWNBXNWBUUZEFJ-LUAWRHEFSA-N",5471364,NA,"PDBC35849","710859","Present",NA,NA
+"35850","Ethyl 3-(2-hydroxy-2-phenylethyl)amino-2-(1H-benzimidazol-2-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(2-hydroxy-2-phenylethyl)amino-2-(1H-benzimidazo...",NA,"CCOC(=O)C(=CNCC(C1=CC=CC=C1)O)C2=NC3=CC=CC=C3N2","IQZMGWBRLZOIPT-QINSGFPZSA-N",5471365,NA,"PDBC35850","710860","Present",NA,NA
+"35851","Ethyl 3-(2-methoxy-9-oxo-10(9H)-acridinyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(2-methoxy-9-oxo-10(9H)-acridinyl)acrylate",NA,"CCOC(=O)C=CN1C2=C(C=C(C=C2)OC)C(=O)C3=CC=CC=C31","APXGUUCNSPKSIG-ZHACJKMWSA-N",5879327,NA,"PDBC35851","646650","Present",NA,NA
+"35852","Ethyl 3-(3,4,5-trimethoxybenzoyl)indolizine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784697",NA,"CCOC(=O)C1=C2C=CC=CN2C(=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","LHGQNISXBATUMG-UHFFFAOYSA-N",155810440,NA,"PDBC35852","784697","Present",NA,NA
+"35853","Ethyl 3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC(=C(C(=C3)OC)OC)OC","WNRQLRYNKMQZFC-UHFFFAOYSA-N",392819,NA,"PDBC35853","693775","Present",NA,NA
+"35854","Ethyl 3-(3,4-dichloroanilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(3,4-dichloroanilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC(=C(C=C3)Cl)Cl","OUHSIOCYIXZVEN-UHFFFAOYSA-N",383931,NA,"PDBC35854","672887","Present",NA,NA
+"35855","Ethyl 3-(3,4-dimethoxyanilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(3,4-dimethoxyanilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC(=C(C=C3)OC)OC","XQXHQJOUKDXMNS-UHFFFAOYSA-N",383929,NA,"PDBC35855","672885","Present",NA,NA
+"35856","Ethyl 3-(3,4-dimethoxyanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(3,4-dimethoxyanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC(=C(C=C3)OC)OC","JXVIDFNZNDXUGG-UHFFFAOYSA-N",383932,NA,"PDBC35856","672888","Present",NA,NA
+"35857","Ethyl 3-(3,5-dimethoxyphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(3,5-dimethoxyphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC(=CC(=C3)OC)OC","VFRPJBXUBGIVPA-UHFFFAOYSA-N",393429,NA,"PDBC35857","695316","Present",NA,NA
+"35858","Ethyl 3-(3,5-dimethoxyphenoxy)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(3,5-dimethoxyphenoxy)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC(=CC(=C3)OC)OC","JVHKGJUNPLLOCW-UHFFFAOYSA-N",393424,NA,"PDBC35858","695311","Present",NA,NA
+"35859","Ethyl 3-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(3-benzyl-6-iodo-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanoate",NA,"CCOC(=O)CCSC1=NC2=C(C=C(C=C2)I)C(=O)N1CC3=CC=CC=C3","OXHSDGMMUGTDRR-UHFFFAOYSA-N",402018,NA,"PDBC35859","715713","Present",NA,NA
+"35860","Ethyl 3-(3-bromobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 3-(3-bromobenzyl)-5-methyl-4-oxo-3,4-dihydrothieno...",NA,"CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC(=CC=C3)Br)C","KRRPAZVJPMWJFZ-UHFFFAOYSA-N",2792859,NA,"PDBC35860","732884","Present",NA,NA
+"35861","Ethyl 3-(3-chloroanilino)-3-oxopropanimidate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(3-chloroanilino)-3-oxopropanimidate;hydrochloride",NA,"CCOC(=N)CC(=O)NC1=CC(=CC=C1)Cl.Cl","XLFXAEPQUNZEPJ-UHFFFAOYSA-N",359754,NA,"PDBC35861","621197","Present",NA,NA
+"35862","Ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(3-ethoxy-3-oxopropyl)-5-[(E)-(3-ethyl-4-methyl-5-oxopyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrole-2-carboxylate",NA,"CCC1=C(C(=O)NC1=CC2=C(C(=C(N2)C(=O)OCC)CCC(=O)OCC)C)C","QHLGEWFJGYRRAC-GZTJUZNOSA-N",5472185,NA,"PDBC35862","716812","Present",NA,NA
+"35863","Ethyl 3-(3-fluorophenyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1269AE",NA,"CCOC(=O)C=CC1=CC(=CC=C1)F","LXHLBKGIOOFCAR-VOTSOKGWSA-N",5373048,NA,"PDBC35863","636703","Present",NA,NA
+"35864","Ethyl 3-(3-imino-2,3-dihydro-1H-1,2,4-triazol-1-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(3-imino-2,3-dihydro-1H-1,2,4-triazol-1-yl)propanoate",NA,"CCOC(=O)CCN1C=NC(=N1)N","PTJSXKZQDSTMSW-UHFFFAOYSA-N",363000,NA,"PDBC35864","627539","Present",NA,NA
+"35865","Ethyl 3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanoate",NA,"CCOC(=O)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl","YXFKLSMNKHZKDS-UHFFFAOYSA-N",365865,NA,"PDBC35865","633940","Present",NA,NA
+"35866","Ethyl 3-(4,5-dihydro-1H-imidazol-2-yl)-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboximidoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4,5-dihydro-1H-imidazol-2-yl)-2-oxo-2,3-dihydro-1H-benzimidazole-1-carboximidoate",NA,"CCOC(=N)N1C2=CC=CC=C2N(C1=O)C3=NCCN3","DUIWRNXSGKMQSA-UHFFFAOYSA-N",383951,NA,"PDBC35866","672915","Present",NA,NA
+"35867","Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-2-quinoxalinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-2-quinoxalinecarboxylate",NA,"CCOC(=O)CC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)OCC","OKUQMDYDXQWSQY-UHFFFAOYSA-N",394501,NA,"PDBC35867","698046","Present",NA,NA
+"35868","Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-(2-ethoxy-2-oxoethyl)anilino)-6-(trifluoromethyl)-2-quinoxalinecarboxylate",NA,"CCOC(=O)CC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)OCC","ZSWJNNWIDHHZOA-UHFFFAOYSA-N",394499,NA,"PDBC35868","698044","Present",NA,NA
+"35869","Ethyl 3-(4-(bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-(bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)acrylate",NA,"CCOC(=O)C(=CC1=C(C=C(C=C1)N(CCC#N)CCC#N)C)NC(=O)C=CC2=CC=CC=C2","UTQPTVUFIYSUFK-IZSKEMMWSA-N",6477343,NA,"PDBC35869","645673","Present",NA,NA
+"35870","Ethyl 3-(4-(ethoxycarbonyl)anilino)-2-quinoxalinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-(ethoxycarbonyl)anilino)-2-quinoxalinecarboxylate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C(=O)OCC","QOPDYDFKWLFWCS-UHFFFAOYSA-N",382850,NA,"PDBC35870","670680","Present",NA,NA
+"35871","Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-bromophenyl)-1-methyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C=CN1C)C2=CC=C(C=C2)Br","DJXVRLONQBAIBS-UHFFFAOYSA-N",378976,NA,"PDBC35871","662568","Present",NA,NA
+"35872","Ethyl 3-(4-chloro-5-methyl-2-sulfidophenylamino)-3-(4-dimethylamin o-1-pyridinio)-2-(4-nitrobenzoyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-chloro-5-methyl-2-sulfidophenylamino)-3-(4-di...",NA,"CCOC(=O)C(=C(C1=CC=C(C=C1)[N+](=O)[O-])O)C(=NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)[S-])[N+]3=CC=C(C=C3)N(C)C","YGHIETLTWPKGEX-UHFFFAOYSA-N",135436356,NA,"PDBC35872","720637","Present",NA,NA
+"35873","Ethyl 3-(4-chloroanilino)-3-oxopropanimidate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-chloroanilino)-3-oxopropanimidate;hydrochloride",NA,"CCOC(=N)CC(=O)NC1=CC=C(C=C1)Cl.Cl","HMBGIYISRHYZCF-UHFFFAOYSA-N",359746,NA,"PDBC35873","621193","Present",NA,NA
+"35874","Ethyl 3-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-cyano-4-hydroxy-2,6-diphenylcyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-cyano-4-hydroxy-2,6-diphenylcyclohexanecarboxylate",NA,"CCOC(=O)C1(C(CC(C(C1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)Cl)O)C5=CC=CC=C5)C#N","DPRXSYGUKXKSER-UHFFFAOYSA-N",373625,NA,"PDBC35874","650294","Present",NA,NA
+"35875","Ethyl 3-(4-chlorophenyl)-3-cyano-2-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CXPKQEMUHZDENZ-UHFFFAOYSA-N",NA,"CCOC(=O)C(=O)C(C#N)C1=CC=C(C=C1)Cl","CXPKQEMUHZDENZ-UHFFFAOYSA-N",359722,NA,"PDBC35875","621168","Present",NA,NA
+"35876","Ethyl 3-(4-cyanophenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-cyanophenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)C#N","XCEQMAUVVNGPPI-UHFFFAOYSA-N",393433,NA,"PDBC35876","695320","Present",NA,NA
+"35877","Ethyl 3-(4-cyanophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-cyanophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)C#N","IOFRWSKLODSMPB-UHFFFAOYSA-N",394001,NA,"PDBC35877","697104","Present",NA,NA
+"35878","Ethyl 3-(4-cyanophenoxy)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-cyanophenoxy)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)C#N","ILWISGZLSQIORQ-UHFFFAOYSA-N",393427,NA,"PDBC35878","695314","Present",NA,NA
+"35879","Ethyl 3-(4-ethoxycarbonylanilino)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-ethoxycarbonylanilino)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)OCC","HEKGKLNBBBWZHD-UHFFFAOYSA-N",383928,NA,"PDBC35879","672884","Present",NA,NA
+"35880","Ethyl 3-(4-ethoxycarbonylanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-ethoxycarbonylanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C(=O)OCC","FHBIQBXTQKGVLO-UHFFFAOYSA-N",383934,NA,"PDBC35880","672890","Present",NA,NA
+"35881","Ethyl 3-(4-fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-fluoroanilino)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)F","QYFRVWLAQZKGPG-UHFFFAOYSA-N",388326,NA,"PDBC35881","683061","Present",NA,NA
+"35882","Ethyl 3-(4-fluoroanilino)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Quinoxalinecarboxylic acid, 3-[(4-fluorophenyl)amino]-...",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC=C(C=C3)F","MLDNGIZDJGXSPI-UHFFFAOYSA-N",387137,NA,"PDBC35882","680553","Present",NA,NA
+"35883","Ethyl 3-(4-fluorophenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-fluorophenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)F","WQLZXBBOEPMQHJ-UHFFFAOYSA-N",393432,NA,"PDBC35883","695319","Present",NA,NA
+"35884","Ethyl 3-(4-fluorophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-fluorophenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)F","ICCNOQYTKIJGEE-UHFFFAOYSA-N",394000,NA,"PDBC35884","697103","Present",NA,NA
+"35885","Ethyl 3-(4-fluorophenoxy)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-fluorophenoxy)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)F","MLFFDQNPXOLUIA-UHFFFAOYSA-N",393426,NA,"PDBC35885","695313","Present",NA,NA
+"35886","Ethyl 3-(4-methoxy(2-methoxy-2-oxo-1-phenylethyl)anilino)-3-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxy(2-methoxy-2-oxo-1-phenylethyl)anilino)-3-oxopropanoate",NA,"CCOC(=O)CC(=O)N(C1=CC=C(C=C1)OC)C(C2=CC=CC=C2)C(=O)OC","GEFRHGMRFDDGEJ-UHFFFAOYSA-N",353879,NA,"PDBC35886","603442","Present",NA,NA
+"35887","Ethyl 3-(4-methoxyanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxyanilino)-7-(trifluoromethyl)-2-quinoxalinecarboxylate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)OC","SBJJYIDFJOTKKW-UHFFFAOYSA-N",387375,NA,"PDBC35887","681127","Present",NA,NA
+"35888","Ethyl 3-(4-methoxyanilino)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(4-methoxyphenyl)amino]quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC=C(C=C3)OC","AZVWKIPXJJCKBK-UHFFFAOYSA-N",387135,NA,"PDBC35888","680551","Present",NA,NA
+"35889","Ethyl 3-(4-methoxycarbonylphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxycarbonylphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)C(=O)OC","LVUUNKWOWCNGGH-UHFFFAOYSA-N",393434,NA,"PDBC35889","695321","Present",NA,NA
+"35890","Ethyl 3-(4-methoxycarbonylphenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxycarbonylphenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)C(=O)OC","RTPJZGNAVWGDQJ-UHFFFAOYSA-N",394002,NA,"PDBC35890","697105","Present",NA,NA
+"35891","Ethyl 3-(4-methoxycarbonylphenoxy)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxycarbonylphenoxy)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)C(=O)OC","MHFICXMYDXGOBG-UHFFFAOYSA-N",393430,NA,"PDBC35891","695317","Present",NA,NA
+"35892","Ethyl 3-(4-methoxyphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxyphenoxy)-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)OC","GMIQIUIUQLUWMP-UHFFFAOYSA-N",393431,NA,"PDBC35892","695318","Present",NA,NA
+"35893","Ethyl 3-(4-methoxyphenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxyphenoxy)-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1OC3=CC=C(C=C3)OC","RVBXTQILDQHMCB-UHFFFAOYSA-N",393999,NA,"PDBC35893","697102","Present",NA,NA
+"35894","Ethyl 3-(4-methoxyphenoxy)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxyphenoxy)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1OC3=CC=C(C=C3)OC","HSZRXWURMLLYKP-UHFFFAOYSA-N",393425,NA,"PDBC35894","695312","Present",NA,NA
+"35895","Ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C=CN1C)C2=CC=C(C=C2)OC","FEJQXJHIDZPIOV-UHFFFAOYSA-N",378975,NA,"PDBC35895","662567","Present",NA,NA
+"35896","Ethyl 3-(4-methoxyphenyl)-2-butenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxyphenyl)-2-butenoate",NA,"CCOC(=O)C=C(C)C1=CC=C(C=C1)OC","CFNFDUJWLXMVHH-MDZDMXLPSA-N",5387372,NA,"PDBC35896","622933","Present",NA,NA
+"35897","Ethyl 3-(4-methoxyphenyl)-2-methyl-4,5-dioxobenzo[e]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxyphenyl)-2-methyl-4,5-dioxo-4,5-dihydro-3h-benzo[e]indole-1-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C1C3=CC=CC=C3C(=O)C2=O)C4=CC=C(C=C4)OC)C","KOVAXUSVFZXVKF-UHFFFAOYSA-N",406009,NA,"PDBC35897","723889","Present",NA,NA
+"35898","Ethyl 3-(4-methoxyphenyl)-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxyphenyl)-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate",NA,"CCOC(=O)C1=C2N=NN(C(=O)N2C3=CC=CC=C31)C4=CC=C(C=C4)OC","OZEROYIKTYQJND-UHFFFAOYSA-N",396112,NA,"PDBC35898","701660","Present",NA,NA
+"35899","Ethyl 3-(4-nitrophenyl)prop-2-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM35283080",NA,"CCOC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]","VOFGHYIUFUAZQO-UHFFFAOYSA-N",348719,NA,"PDBC35899","408181","Present",NA,NA
+"35900","Ethyl 3-(5,7-diacetyloxy-4-methyl-2-oxochromen-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[5,7-bis(acetyloxy)-4-methyl-2-oxo-2H-chromen-3-yl]propanoate",NA,"CCOC(=O)CCC1=C(C2=C(C=C(C=C2OC(=O)C)OC(=O)C)OC1=O)C","VVYFSEHARHGQRV-UHFFFAOYSA-N",360484,NA,"PDBC35900","622618","Present",NA,NA
+"35901","Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(5,7-dihydroxy-2-oxochromen-4-yl)propanoate",NA,"CCOC(=O)CCC1=CC(=O)OC2=CC(=CC(=C12)O)O","PCIXULUFEVXSSR-UHFFFAOYSA-N",5381487,NA,"PDBC35901","118827","Present",NA,NA
+"35902","Ethyl 3-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(5,7-dimethoxy-4-methyl-2-oxo-2H-chromen-3-yl)propanoate",NA,"CCOC(=O)CCC1=C(C2=C(C=C(C=C2OC)OC)OC1=O)C","WSOMLBXFEKQJIU-UHFFFAOYSA-N",360483,NA,"PDBC35902","622617","Present",NA,NA
+"35903","Ethyl 3-(5-amino-4-cyano-1,3-oxazol-2-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(5-amino-4-cyano-1,3-oxazol-2-yl)acrylate",NA,"CCOC(=O)C=CC1=NC(=C(O1)N)C#N","FWLHAVVWYWAIFD-ONEGZZNKSA-N",5469600,NA,"PDBC35903","690690","Present",NA,NA
+"35904","Ethyl 3-(5-nitro-2-furyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nf 23",NA,"CCOC(=O)C=CC1=CC=C(O1)[N+](=O)[O-]","WGROOPOBLKUOMN-GQCTYLIASA-N",899314,NA,"PDBC35904","6477","Present",NA,NA
+"35905","Ethyl 3-(6-bromo-8-methoxyimidazo[1,2-a]pyrazin-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(6-bromo-8-methoxyimidazo[1,2-a]pyrazin-2-yl)propanoate",NA,"CCOC(=O)CCC1=CN2C=C(N=C(C2=N1)OC)Br","IQTQXVQURGVYSX-UHFFFAOYSA-N",383014,NA,"PDBC35905","670998","Present",NA,NA
+"35906","Ethyl 3-(9-chloro-4-hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(9-chloro-4-hydroxy-2,5,11-trimethyl-6H-pyrido[3,2-b]carbazol-3-yl)propanoate",NA,"CCOC(=O)CCC1=C(NC2=C(C1=O)C(=C3C(=C2C)C4=C(N3)C=CC(=C4)Cl)C)C","KGDYUZVBRFHQHP-UHFFFAOYSA-N",386719,NA,"PDBC35906","679261","Present",NA,NA
+"35907","Ethyl 3-(benzenesulfonylsulfanyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-((dioxido(phenyl)sulfanyl)thio)propanoate",NA,"CCOC(=O)CCSS(=O)(=O)C1=CC=CC=C1","VFJMWEPYGNPHFQ-UHFFFAOYSA-N",396182,NA,"PDBC35907","701730","Present",NA,NA
+"35908","Ethyl 3-(naphthalene-2-carbonyl)-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(naphthalene-2-carbonyl)-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate",NA,"CCOC(=O)C1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC4=CC=CC=C4C=C3)C(F)(F)F)[O-]","UGEHRZUCYCEOKG-UHFFFAOYSA-N",54613748,NA,"PDBC35908","750203","Present",NA,NA
+"35909","Ethyl 3-(tolan-4'-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(tolan-4'-yl)acrylate",NA,"CCOC(=O)C=CC1=CC=C(C=C1)C#CC2=CC=CC=C2","FWXQQVCPLUTFCM-CCEZHUSRSA-N",24205295,NA,"PDBC35909","734969","Present",NA,NA
+"35910","Ethyl 3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(2,4-dichlorophenyl)methyl]-4-methyl-10,11-dioxo-9-oxa-3,12,14-triazatetracyclo[6.6.1.02,6.012,15]pentadeca-1,4,6,8(15),13-pentaene-5-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C4=C(C=C12)OC(=O)C(=O)N4C=N3)CC5=C(C=C(C=C5)Cl)Cl)C","FCTOYDJDKNVGNM-UHFFFAOYSA-N",24205840,NA,"PDBC35910","736915","Present",NA,NA
+"35911","Ethyl 3-[(2,4-dichlorophenyl)methylamino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(2,4-dichlorophenyl)methylamino]quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=C(C=C(C=C3)Cl)Cl","KPLYNFPYYAGQAL-UHFFFAOYSA-N",388331,NA,"PDBC35911","683066","Present",NA,NA
+"35912","Ethyl 3-[(2,4-dinitrophenyl)hydrazono]bicyclo[3.2.1]octane-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(2,4-dinitrophenyl)hydrazono]bicyclo[3.2.1]octane-8-carboxylate",NA,"CCOC(=O)C1C2CCC1CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C2","BWRSURNCUXHFCI-UHFFFAOYSA-N",390956,NA,"PDBC35912","689209","Present",NA,NA
+"35913","Ethyl 3-[(2-bromoacetyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Bromoacetamido-benzoic acid ethyl ester",NA,"CCOC(=O)C1=CC(=CC=C1)NC(=O)CBr","RHJZEEATPWQQPX-UHFFFAOYSA-N",398529,NA,"PDBC35913","708444","Present",NA,NA
+"35914","Ethyl 3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=CC(=C(C(=C3)OC)OC)OC","YIKSYBYTFDTWOZ-UHFFFAOYSA-N",384953,NA,"PDBC35914","675777","Present",NA,NA
+"35915","Ethyl 3-[(3,4-dichlorophenyl)amino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(3,4-dichlorophenyl)amino]quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC(=C(C=C3)Cl)Cl","KYXLSESNPQHFMS-UHFFFAOYSA-N",382849,NA,"PDBC35915","670679","Present",NA,NA
+"35916","Ethyl 3-[(3,4-dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(3,4-dichlorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC(=C(C=C3)Cl)Cl","DAPUXPNKAJNYDY-UHFFFAOYSA-N",388332,NA,"PDBC35916","683067","Present",NA,NA
+"35917","Ethyl 3-[(3,4-dimethoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(3,4-dimethoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC(=C(C=C3)OC)OC","DEZUPVHMVVPZBH-UHFFFAOYSA-N",388333,NA,"PDBC35917","683068","Present",NA,NA
+"35918","Ethyl 3-[(3,4-dimethoxyphenyl)methylamino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(3,4-dimethoxyphenyl)methylamino]quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=CC(=C(C=C3)OC)OC","JXWGYQCZHLZNOC-UHFFFAOYSA-N",384954,NA,"PDBC35918","675778","Present",NA,NA
+"35919","Ethyl 3-[(3-chlorophenyl)methyl]-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 3-(3-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrothien...",NA,"CCOC(=O)C1=C(C2=C(S1)N=CN(C2=O)CC3=CC(=CC=C3)Cl)C","XYTCHYWMOIFUIE-UHFFFAOYSA-N",1167148,NA,"PDBC35919","732890","Present",NA,NA
+"35920","Ethyl 3-[(4-ethoxycarbonylphenyl)diazenyl]-4-hydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(4-ethoxycarbonylphenyl)diazenyl]-4-hydroxybenzoate",NA,"CCOC(=O)C1=CC=C(C=C1)N=NC2=C(C=CC(=C2)C(=O)OCC)O","IFCYDGOKBCGZKK-UHFFFAOYSA-N",360169,NA,"PDBC35920","622101","Present",NA,NA
+"35921","Ethyl 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(4-fluorophenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC=C(C=C3)F","HEDABOPYBDXVSM-UHFFFAOYSA-N",389429,NA,"PDBC35921","685511","Present",NA,NA
+"35922","Ethyl 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC=C(C=C3)OC","CNRUEPLLHXEFLS-UHFFFAOYSA-N",388330,NA,"PDBC35922","683065","Present",NA,NA
+"35923","Ethyl 3-[(4-methoxyphenyl)methylamino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(4-methoxybenzylamino)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1NCC3=CC=C(C=C3)OC","RSXQMVIZBVKTOE-UHFFFAOYSA-N",384958,NA,"PDBC35923","675782","Present",NA,NA
+"35924","Ethyl 3-[(5-methoxycarbonyl-2-thienyl)amino]-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(5-methoxycarbonyl-2-thienyl)amino]-7-(trifluoromethyl)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC=C(S3)C(=O)OC","VFHLGFVUVVQYSB-UHFFFAOYSA-N",393706,NA,"PDBC35924","696140","Present",NA,NA
+"35925","Ethyl 3-[(5-methoxycarbonyl-2-thienyl)amino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(5-methoxycarbonyl-2-thienyl)amino]quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2N=C1NC3=CC=C(S3)C(=O)OC","NUGZBPUBMHDLLR-UHFFFAOYSA-N",392814,NA,"PDBC35925","693770","Present",NA,NA
+"35926","Ethyl 3-[(chloroacetyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloroacetamido-benzoic acid ethyl ester",NA,"CCOC(=O)C1=CC(=CC=C1)NC(=O)CCl","GWRKWJKNWBWCPD-UHFFFAOYSA-N",398528,NA,"PDBC35926","708443","Present",NA,NA
+"35927","Ethyl 3-[(dimethylamino)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[(dimethylamino)methyl]-5,6-dimethoxy-1H-indole-2-carboxylate",NA,"CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)CN(C)C","LCKSWSNWBPDSBZ-UHFFFAOYSA-N",359144,NA,"PDBC35927","619823","Present",NA,NA
+"35928","Ethyl 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-4-methyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[1-(4-chloro-2-nitro-phenyl)pyrrol-2-yl]-4-methyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=CN1)C)C2=CC=CN2C3=C(C=C(C=C3)Cl)[N+](=O)[O-]","VVLXRDSQXPILBD-UHFFFAOYSA-N",390185,NA,"PDBC35928","687346","Present",NA,NA
+"35929","Ethyl 3-[1-(benzylamino)but-3-enyl]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[1-(benzylamino)but-3-enyl]indole-1-carboxylate",NA,"CCOC(=O)N1C=C(C2=CC=CC=C21)C(CC=C)NCC3=CC=CC=C3","CDDPWFZMNQIGMN-UHFFFAOYSA-N",16721048,NA,"PDBC35929","732425","Present",NA,NA
+"35930","Ethyl 3-[1-[[(1R)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[1-[[(1R)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate",NA,"CCOC(=O)N1C=C(C2=CC=CC=C21)C(CC=C)NC(CO)C3=CC=CC=C3","OSXLLUZZWLMSAV-LBAQZLPGSA-N",24204948,NA,"PDBC35930","733631","Present",NA,NA
+"35931","Ethyl 3-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[1-[[(1S)-2-hydroxy-1-phenylethyl]amino]but-3-enyl]indole-1-carboxylate",NA,"CCOC(=O)N1C=C(C2=CC=CC=C21)C(CC=C)NC(CO)C3=CC=CC=C3","OSXLLUZZWLMSAV-BPGUCPLFSA-N",24204667,NA,"PDBC35931","732427","Present",NA,NA
+"35932","Ethyl 3-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]but-3-enyl]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]but-3-enyl]indole-1-carboxylate",NA,"CCOC(=O)N1C=C(C2=CC=CC=C21)C(CC=C)NC(CO)C(C)C","RYMLGNJGFLRMIU-QRWMCTBCSA-N",24204668,NA,"PDBC35932","732428","Present",NA,NA
+"35933","Ethyl 3-[2-(3-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[2-(3-methylphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-2-oxopropanoate",NA,"CCOC(=O)C(=O)CC1=NC2=CC=CC=C2SC(C1)C3=CC=CC(=C3)C","SCRALNSBOGCTGP-UHFFFAOYSA-N",358408,NA,"PDBC35933","618414","Present",NA,NA
+"35934","Ethyl 3-[2-(4-fluorophenylcarbamoyl)-5-oxo-7-propyl-5H-[1,2-a]pyrimidin-3-ylcarboxamido]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 3-[2-(4-fluorophenylcarbamoyl)-5-oxo-7-propyl-5H-[...",NA,"CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=CC(=C4)C(=O)OCC","QNYCJSIZVZPGHI-UHFFFAOYSA-N",1426141,NA,"PDBC35934","743218","Present",NA,NA
+"35935","Ethyl 3-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,3-d]pyrimidin-3-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,7-dihydro-3...",NA,"CCCOC(=O)CCN1C(=O)C2=C(NC=C2C3=CC=CC=C3)N=C1SC","QQUSHXRJHGMLND-UHFFFAOYSA-N",24205305,NA,"PDBC35935","734980","Present",NA,NA
+"35936","Ethyl 3-[3,4-(methylenedioxy)phenylmethyl]amino-2-(1H-benzimidazol-2-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[3,4-(methylenedioxy)phenylmethyl]amino-2-(1H- b...",NA,"CCOC(=O)C(=CNCC1=CC2=C(C=C1)OCO2)C3=NC4=CC=CC=C4N3","DPFOWMWRXFKCFF-KAMYIIQDSA-N",5471363,NA,"PDBC35936","710858","Present",NA,NA
+"35937","Ethyl 3-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]-4-methyl-6-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)C","ZPNAQXQDBOOYCV-UHFFFAOYSA-N",3004305,NA,"PDBC35937","643914","Present",NA,NA
+"35938","Ethyl 3-[4'-(thien-3''-yl)-1',2'-dihydronaphthalen-3'-yl]acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[4'-(thien-3''-yl)-1',2'-dihydronaphthalen-3'-yl...",NA,"CCOC(=O)C=CC1=C(C2=C(CC1)C=C(C=C2)OC)C3=CSC=C3","QLRFJMGSVNUCGC-RMKNXTFCSA-N",24205739,NA,"PDBC35938","736553","Present",NA,NA
+"35939","Ethyl 3-[4-(1H-benzo[d]imidazol-2-yl)phenylamino]-2-cyanoacrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[4-(1H-benzo[d]imidazol-2-yl)phenylamino]-2-cyan...",NA,"CCOC(=O)C(=CNC1=CC=C(C=C1)C2=NC3=CC=CC=C3N2)C#N","MGWXFACBTMIALD-WYMLVPIESA-N",8811294,NA,"PDBC35939","729788","Present",NA,NA
+"35940","Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[4-(3-ethoxy-3-oxoprop-1-ynyl)phenyl]prop-2-ynoate",NA,"CCOC(=O)C#CC1=CC=C(C=C1)C#CC(=O)OCC","VXHLFKXIFYDPFI-UHFFFAOYSA-N",323110,NA,"PDBC35940","281930","Present",NA,NA
+"35941","Ethyl 3-[4-(5-nitro-2-furylacryloyl)aminophenyl]propionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[4-(5-nitro-2-furylacryloyl)aminophenyl]propionate",NA,"CCOC(=O)CCC1=CC=C(C=C1)NC(=O)C=CC2=CC=C(O2)[N+](=O)[O-]","XKPGTXPAAQXOAG-CSKARUKUSA-N",5935594,NA,"PDBC35941","667262","Present",NA,NA
+"35942","Ethyl 3-[4-[(E)-dimethylaminoazo]phenyl]-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[4-[(E)-dimethylaminoazo]phenyl]-2-[[2-(9H-fluoren-9-yl)acetyl]amino]propanoate",NA,"CCOC(=O)C(CC1=CC=C(C=C1)N=NN(C)C)NC(=O)CC2C3=CC=CC=C3C4=CC=CC=C24","IXXIUYXCQGEDEV-UHFFFAOYSA-N",374092,NA,"PDBC35942","651354","Present",NA,NA
+"35943","Ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[4-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[4-[bis(2-chloroethyl)amino]phenyl]-2-[4-(7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)butanoylamino]propanoate",NA,"CCOC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)NC(=O)CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4","IDHGEFGDZPCYJX-UHFFFAOYSA-N",388729,NA,"PDBC35943","683782","Present",NA,NA
+"35944","Ethyl 3-[6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]dibenzofuran-4-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[6-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]dibenzofuran-4-yl]propanoate",NA,"CCOC(=O)CCC1=C2C(=CC=C1)C3=CC=CC(=C3O2)CCNC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46","UHEHLXCADKABHP-UHFFFAOYSA-N",396517,NA,"PDBC35944","702759","Present",NA,NA
+"35945","Ethyl 3-[[1-(2-ethoxy-2-oxoethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[[1-(2-ethoxy-2-oxo-ethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate",NA,"CCOC(=O)CN1C2=C(C=C(C=C2)NC3=NC4=CC=CC=C4N=C3C(=O)OCC)N=N1","AODCDQCFSSOWRS-UHFFFAOYSA-N",399754,NA,"PDBC35945","710848","Present",NA,NA
+"35946","Ethyl 3-[[2-(2-ethoxy-2-oxoethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[[2-(2-ethoxy-2-oxo-ethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate",NA,"CCOC(=O)CN1N=C2C=CC(=CC2=N1)NC3=NC4=CC=CC=C4N=C3C(=O)OCC","NYFXFNBKTAVKCZ-UHFFFAOYSA-N",399755,NA,"PDBC35946","710849","Present",NA,NA
+"35947","Ethyl 3-[[3-(2-ethoxy-2-oxoethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[[3-(2-ethoxy-2-oxo-ethyl)benzotriazol-5-yl]amino]quinoxaline-2-carboxylate",NA,"CCOC(=O)CN1C2=C(C=CC(=C2)NC3=NC4=CC=CC=C4N=C3C(=O)OCC)N=N1","CULAMKVSVNIZSO-UHFFFAOYSA-N",399756,NA,"PDBC35947","710850","Present",NA,NA
+"35948","Ethyl 3-[[5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1H-imidazol-4-yl]diazenyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-[[5-[(E)-3-methoxy-3-oxoprop-1-enyl]-1H-imidazol-4-yl]diazenyl]benzoate",NA,"CCOC(=O)C1=CC(=CC=C1)N=NC2=C(NC=N2)C=CC(=O)OC","MVDXZMSQEGHTSK-CSLZILMTSA-N",135436270,NA,"PDBC35948","716679","Present",NA,NA
+"35949","Ethyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate",NA,"CCOC(=O)C1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C)C(F)(F)F)[O-]","RDQSCLKGYKFXDD-UHFFFAOYSA-N",54613595,NA,"PDBC35949","748717","Present",NA,NA
+"35950","Ethyl 3-allyl-7,9-dimethyl-4-oxo-2-thioxo-3,4-dihydro-2H-[1,3]thiazino[6,5-b]indolizine-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-allyl-7,9-dimethyl-4-oxo-2-thioxo-[1,3]thiazino[6,5-b]indolizine-10-carboxylate",NA,"CCOC(=O)C1=C2C(=CC(=CN2C3=C1SC(=S)N(C3=O)CC=C)C)C","JCDPWVXIPYTTIT-UHFFFAOYSA-N",375060,NA,"PDBC35950","653943","Present",NA,NA
+"35951","Ethyl 3-amino-2-((benzylamino)carbothioyl)-3-(1-pyrrolidinyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-amino-2-((benzylamino)carbothioyl)-3-(1-pyrrolidinyl)acrylate",NA,"CCOC(=O)C(=C(N)N1CCCC1)C(=S)NCC2=CC=CC=C2","LBLHWLFGEADICU-PFONDFGASA-N",3005137,NA,"PDBC35951","675883","Present",NA,NA
+"35952","Ethyl 3-amino-2-((methylamino)carbothioyl)-3-(1-pyrrolidinyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-amino-2-((methylamino)carbothioyl)-3-(1-pyrrolidinyl)acrylate",NA,"CCOC(=O)C(=C(N)N1CCCC1)C(=S)NC","UGSHKGAQXWRNRE-HJWRWDBZSA-N",3005131,NA,"PDBC35952","675877","Present",NA,NA
+"35953","Ethyl 3-amino-2-(anilinocarbothioyl)-3-(1-pyrrolidinyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-amino-2-(anilinocarbothioyl)-3-(1-pyrrolidinyl)acrylate",NA,"CCOC(=O)C(=C(N)N1CCCC1)C(=S)NC2=CC=CC=C2","XCDGPQIDIMTWLQ-YPKPFQOOSA-N",3005134,NA,"PDBC35953","675880","Present",NA,NA
+"35954","Ethyl 3-amino-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-7-nitroquinoxalin-2-yl]-3-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-amino-2-[3-[(Z)-2-hydroxy-2-(4-methylphenyl)ethenyl]-7-nitroquinoxalin-2-yl]-3-oxopropanoate",NA,"CCOC(=O)C(C1=NC2=C(C=CC(=C2)[N+](=O)[O-])N=C1C=C(C3=CC=C(C=C3)C)O)C(=O)N","VPDZLIMLTUYFES-WQRHYEAKSA-N",135426689,NA,"PDBC35954","707075","Present",NA,NA
+"35955","Ethyl 3-amino-2-bromo-2-(4-bromo-2-hydroxy-3-oxo-5-phenylfuran-2-yl)-3-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-amino-2-bromo-2-(4-bromo-2-hydroxy-3-oxo-5-phenylfuran-2-yl)-3-oxopropanoate",NA,"CCOC(=O)C(C(=O)N)(C1(C(=O)C(=C(O1)C2=CC=CC=C2)Br)O)Br","HNUYMPXXEANFOK-UHFFFAOYSA-N",404238,NA,"PDBC35955","720416","Present",NA,NA
+"35956","Ethyl 3-amino-5-[4-(3-amino-2,4-dicyano-5-ethoxycarbonyl-phenyl)phenyl]-2,4-dicyano-benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-amino-5-[4-(3-amino-2,4-dicyano-5-ethoxycarbonyl-phenyl)phenyl]-2,4-dicyano-benzoate",NA,"CCOC(=O)C1=C(C(=C(C(=C1)C2=CC=C(C=C2)C3=CC(=C(C(=C3C#N)N)C#N)C(=O)OCC)C#N)N)C#N","QZPHLOKQPRYHLM-UHFFFAOYSA-N",371284,NA,"PDBC35956","645361","Present",NA,NA
+"35957","Ethyl 3-amino-7,8-dimethoxy-4-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-amino-7,8-dimethoxy-4-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate",NA,"CCOC(=O)C1CC2=C(C=CC(=C2OC)OC)C(=O)C1N","XKOJBHVOGRJDHA-UHFFFAOYSA-N",362994,NA,"PDBC35957","627522","Present",NA,NA
+"35958","Ethyl 3-anilino-2-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-thioxo-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-anilino-2-(7-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)-3-thioxo-propanoate",NA,"CCOC(=O)C(C1=NN2C(=O)C=C(N=C2S1)C)C(=S)NC3=CC=CC=C3","GVVIGULNRXKJEI-UHFFFAOYSA-N",3005143,NA,"PDBC35958","677202","Present",NA,NA
+"35959","Ethyl 3-anilino-3-oxopropanimidate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634927",NA,"CCOC(=N)CC(=O)NC1=CC=CC=C1.Cl","AFRRCMITXJASRM-UHFFFAOYSA-N",366467,NA,"PDBC35959","634927","Present",NA,NA
+"35960","Ethyl 3-benzoyl-1,2,3,12b-tetrahydropyrrolo[1,2-f]phenanthridine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-benzoyl-1,2,3,12b-tetrahydropyrrolo[1,2-f]phenanthridine-1-carboxylate",NA,"CCOC(=O)C1CC(N2C1C3=CC=CC=C3C4=CC=CC=C42)C(=O)C5=CC=CC=C5","NXSWTBYDIRFJIF-UHFFFAOYSA-N",386068,NA,"PDBC35960","677636","Present",NA,NA
+"35961","Ethyl 3-benzyl-2-methyl-4,5-dioxobenzo[e]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-benzyl-2-methyl-4,5-dioxo-4,5-dihydro-3H-benzo[e]indol...",NA,"CCOC(=O)C1=C(N(C2=C1C3=CC=CC=C3C(=O)C2=O)CC4=CC=CC=C4)C","FPJGLEYOEDMWDB-UHFFFAOYSA-N",406008,NA,"PDBC35961","723888","Present",NA,NA
+"35962","Ethyl 3-bromo-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-bromo-1,5,2,4-dioxadithiepane-3-carboxylate 2,2,4,4-tetraoxide",NA,"CCOC(=O)C1(S(=O)(=O)OCCOS1(=O)=O)Br","SAMNWECPRPOIAL-UHFFFAOYSA-N",375071,NA,"PDBC35962","653955","Present",NA,NA
+"35963","Ethyl 3-cyanoamino-2-(1H-benzimidazol-2-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-cyanoamino-2-(1H-benzimidazol-2-yl)acrylate",NA,"CCOC(=O)C(=CNC#N)C1=NC2=CC=CC=C2N1","PFIIRGZGEJAIDE-CLFYSBASSA-N",5471367,NA,"PDBC35963","710862","Present",NA,NA
+"35964","Ethyl 3-fluoro-2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepane-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-fluoro-1,5,2,4-dioxadithiepane-3-carboxylate 2,2,4,4-tetraoxide",NA,"CCOC(=O)C1(S(=O)(=O)OCCOS1(=O)=O)F","DPRQRRMVIXDSED-UHFFFAOYSA-N",380421,NA,"PDBC35964","665944","Present",NA,NA
+"35965","Ethyl 3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OAVIWILLWRZQGV-UHFFFAOYSA-N",NA,"CCOC(=O)C1=C(C2=CC=CC=C2C(=O)C1=O)O","IVCYJYFCSFUVOU-UHFFFAOYSA-N",54686206,NA,"PDBC35965","651205","Present",NA,NA
+"35966","Ethyl 3-hydroxy-11-oxohexadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-hydroxy-11-oxohexadecanoate",NA,"CCCCCC(=O)CCCCCCCC(CC(=O)OCC)O","SXPFJPAOWKDANT-UHFFFAOYSA-N",386092,NA,"PDBC35966","677683","Present",NA,NA
+"35967","Ethyl 3-hydroxy-2,2,4-trimethylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-hydroxy-2,2,4-trimethylpentanoate",NA,"CCOC(=O)C(C)(C)C(C(C)C)O","XCXVWELTULZAKL-UHFFFAOYSA-N",244177,NA,"PDBC35967","54809","Present",NA,NA
+"35968","Ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-hydroxy-2-(6-hydroxy-1,3-dimethyl-2,4-dioxo-pteridin-7-yl)propanoate",NA,"CCOC(=O)C(CO)C1=NC2=C(C(=O)N(C(=O)N2C)C)NC1=O","FVUORAMBNOOBRH-UHFFFAOYSA-N",264162,NA,"PDBC35968","99087","Present",NA,NA
+"35969","Ethyl 3-hydroxy-3-methyl-5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-hydroxy-3-methyl-5-nitro-2,3-dihydro-1-benzofuran-2-carboxylate",NA,"CCOC(=O)C1C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])(C)O","KBDXTNCJOUVONL-UHFFFAOYSA-N",361616,NA,"PDBC35969","624801","Present",NA,NA
+"35970","Ethyl 3-hydroxy-5,8-dimethoxy-1,4-dioxo-naphthalene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Ethoxy(hydroxy)methylidene]-5,8-dimethoxynaphthalene-1,2,4(3H)-trione",NA,"CCOC(=O)C1=C(C2=C(C=CC(=C2C(=O)C1=O)OC)OC)O","GGZBSKZHBJBKRS-UHFFFAOYSA-N",54686208,NA,"PDBC35970","651208","Present",NA,NA
+"35971","Ethyl 3-hydroxy-6-methoxy-1,4-dioxo-naphthalene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Ethoxy(hydroxy)methylidene]-7-methoxynaphthalene-1,2,4(3H)-trione",NA,"CCOC(=O)C1=C(C2=C(C=C(C=C2)OC)C(=O)C1=O)O","OIJWMJXOFPQWJA-UHFFFAOYSA-N",54682843,NA,"PDBC35971","651206","Present",NA,NA
+"35972","Ethyl 3-hydroxy-6-methyl-1,4-dioxo-naphthalene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[Ethoxy(hydroxy)methylidene]-7-methylnaphthalene-1,2,4(3H)-trione",NA,"CCOC(=O)C1=C(C2=C(C=C(C=C2)C)C(=O)C1=O)O","MMOHIJSQWLLXKU-UHFFFAOYSA-N",54686207,NA,"PDBC35972","651207","Present",NA,NA
+"35973","Ethyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxylate",NA,"CCOC(=O)C1=C2NC3=CC=CC=C3N2C(=O)C=C1C","AMJUULQMLIEISB-UHFFFAOYSA-N",387844,NA,"PDBC35973","682004","Present",NA,NA
+"35974","Ethyl 3-methyl-2-[(5-nitro-1H-imidazole-4-carbonyl)amino]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-methyl-2-[(5-nitro-1H-imidazole-4-carbonyl)amino]butanoate",NA,"CCOC(=O)C(C(C)C)NC(=O)C1=C(NC=N1)[N+](=O)[O-]","WBBTYUYBRSPDFF-UHFFFAOYSA-N",135408973,NA,"PDBC35974","651360","Present",NA,NA
+"35975","Ethyl 3-methyl-2H-1,4-benzothiazine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-methyl-2H-1,4-benzothiazine-2-carboxylate",NA,"CCOC(=O)C1C(=NC2=CC=CC=C2S1)C","VHZZXIZQFBTJEA-UHFFFAOYSA-N",365857,NA,"PDBC35975","633931","Present",NA,NA
+"35976","Ethyl 3-methyl-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-methyl-4-oxo-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate",NA,"CCOC(=O)C1=C2N=NN(C(=O)N2C3=CC=CC=C31)C","ZCKOYIJGYLRNSK-UHFFFAOYSA-N",396114,NA,"PDBC35976","701662","Present",NA,NA
+"35977","Ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PQ637VI0V3",NA,"CCOC(=O)C1=C(NC2=CC=CC=C2S1)C","NCZIRXVLKKERGP-UHFFFAOYSA-N",360308,NA,"PDBC35977","622343","Present",NA,NA
+"35978","Ethyl 3-methyl-7-trifluoromethylquinoxaline-4-oxide 2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-methyl-7-trifluoromethylquinoxaline-4-oxide 2-ca...",NA,"CCOC(=O)C1=C([N+](=C2C=CC(=CC2=N1)C(F)(F)F)[O-])C","VJIDTBSNWTWLOF-UHFFFAOYSA-N",54612696,NA,"PDBC35978","740115","Present",NA,NA
+"35979","Ethyl 3-oxo-2,4,4-triphenyl-1,2-diazetidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-oxo-2,4,4-triphenyl-1,2-diazetidine-1-carboxylate",NA,"CCOC(=O)N1C(C(=O)N1C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","YNPFVKILUXYFTF-UHFFFAOYSA-N",386846,NA,"PDBC35979","679580","Present",NA,NA
+"35980","Ethyl 3-oxo-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-oxo-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carboxylate",NA,"CCOC(=O)C1CC(=O)C=C2C1CCCC2","LCKRWMLVLALMMD-UHFFFAOYSA-N",359289,NA,"PDBC35980","620033","Present",NA,NA
+"35981","Ethyl 3-oxo-3-((5-oxo-5H-thiochromeno[2,3-b]pyridin-6-yl)amino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-oxo-3-((5-oxo-5H-thiochromeno[2,3-b]pyridin-6-yl)amino)propanoate",NA,"CCOC(=O)CC(=O)NC1=C2C(=CC=C1)SC3=C(C2=O)C=CC=N3","LIXGSGUWVYZYCK-UHFFFAOYSA-N",383156,NA,"PDBC35981","671267","Present",NA,NA
+"35982","Ethyl 3-oxo-3-(1-phenylethylamino)propanimidate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-oxo-3-(1-phenylethylamino)propanimidate;hydrochloride",NA,"CCOC(=N)CC(=O)NC(C)C1=CC=CC=C1.Cl","JDEDSJGPUAHGEH-UHFFFAOYSA-N",359800,NA,"PDBC35982","621361","Present",NA,NA
+"35983","Ethyl 3-oxo-3-(phenylthio)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-oxo-3-(phenylthio)propanoate",NA,"CCOC(=O)CC(=O)SC1=CC=CC=C1","OFMQEHDQJRUCNU-UHFFFAOYSA-N",373264,NA,"PDBC35983","649416","Present",NA,NA
+"35984","Ethyl 3-oxo-4-((6-oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-oxo-4-((6-oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)thio)butanoate",NA,"CCOC(=O)CC(=O)CSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4","OYCRPDDZEVFJRR-UHFFFAOYSA-N",383056,NA,"PDBC35984","671100","Present",NA,NA
+"35985","Ethyl 3-oxo-6-(trifluoromethyl)-4H-quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QN147",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O","KYQRBUPXBGYEPM-UHFFFAOYSA-N",387928,NA,"PDBC35985","682233","Present",NA,NA
+"35986","Ethyl 3-quinuclidinecarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-143098",NA,"CCOC(=O)NC1CN2CCC1CC2","YFWYOKRKIOWLBK-UHFFFAOYSA-N",379660,NA,"PDBC35986","664539","Present",NA,NA
+"35987","Ethyl 3-trifluoromethyl-7-methoxyquinoxaline-2-carboxyla...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-trifluoromethyl-7-methoxyquinoxaline-2-carboxyla...",NA,"CCOC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)OC)[O-])C(F)(F)F","NLMPBMBYQOMKEE-UHFFFAOYSA-N",54613002,NA,"PDBC35987","749072","Present",NA,NA
+"35988","Ethyl 4,4,4-trifluoro-3-((triphenylphosphoranylidene)amino)-2-butenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4,4,4-trifluoro-3-((triphenylphosphoranylidene)amino)-2-butenoate",NA,"CCOC(=O)C=C(C(F)(F)F)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","MJJHLXYIDMFAIB-RELWKKBWSA-N",6477458,NA,"PDBC35988","667648","Present",NA,NA
+"35989","Ethyl 4,4,4-trifluoro-3-hydroxy-2-(methoxyimino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3T-0051",NA,"CCOC(=O)C(=NOC)C(C(F)(F)F)O","ROLZTCLDNHBPTL-WCIBSUBMSA-N",5912915,NA,"PDBC35989","615599","Present",NA,NA
+"35990","Ethyl 4,4,6-trimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4,4,6-trimethyl-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2-benzofuran-5-carboxylate",NA,"CCOC(=O)C1=C(CC2C(C1(C)C)C(=O)OC2=O)C","JLGPUGBYDKERLK-UHFFFAOYSA-N",363374,NA,"PDBC35990","628256","Present",NA,NA
+"35991","Ethyl 4,5-dibromo-4-methyl-2-oxo-6-phenylhexahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4,5-dibromo-4-methyl-2-oxo-6-phenylhexahydro-5-pyrimidinecarboxylate",NA,"CCOC(=O)C1(C(NC(=O)NC1(C)Br)C2=CC=CC=C2)Br","WWJCFUTVXQGRTF-UHFFFAOYSA-N",370618,NA,"PDBC35991","643911","Present",NA,NA
+"35992","Ethyl 4,6-dihydro-5H-furo[2,3-c]pyrrole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4,6-dihydro-5H-furo[2,3-c]pyrrole-5-carboxylate",NA,"CCOC(=O)N1CC2=C(C1)OC=C2","DEWWWQDZJOQUGR-UHFFFAOYSA-N",372542,NA,"PDBC35992","647720","Present",NA,NA
+"35993","Ethyl 4,6-dihydroxy-2-(4-morpholinyl)nicotinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4,6-dihydroxy-2-(4-morpholinyl)nicotinate",NA,"CCOC(=O)C1=C(NC(=O)C=C1O)N2CCOCC2","APERKODGEABDKR-UHFFFAOYSA-N",54688713,NA,"PDBC35993","700478","Present",NA,NA
+"35994","Ethyl 4,6-dioxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4,6-dioxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(CC(=O)N=C1N2CCCC2)O","ILBRPOSMBLYXMY-UHFFFAOYSA-N",135436076,NA,"PDBC35994","675874","Present",NA,NA
+"35995","Ethyl 4,6a-dihydroxy-8-methyl-1,3-dioxo-2-phenylfuro[3,2-d]isoindole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4,6a-dihydroxy-8-methyl-1,3-dioxo-2-phenylfuro[3,2-d]isoindole-9-carboxylate",NA,"CCOC(=O)C1=C(OC2(C13C(=C(C=C2)O)C(=O)N(C3=O)C4=CC=CC=C4)O)C","AVZFYOCGGGTTTK-UHFFFAOYSA-N",54695394,NA,"PDBC35995","722575","Present",NA,NA
+"35996","Ethyl 4,7,7-tricyano-3-imino-5-isopropyl-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4,7,7-tricyano-3-imino-5-isopropyl-1-methyl-2-oxabicyclo[2.2.1]heptane-6-carboxylate",NA,"CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C(C)C","ATIXZNRVXNYSEC-UHFFFAOYSA-N",387755,NA,"PDBC35996","681784","Present",NA,NA
+"35997","Ethyl 4,7-diacetyloxy-1-benzothiophene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4,7-diacetoxybenzothiophene-2-carboxylate",NA,"CCOC(=O)C1=CC2=C(C=CC(=C2S1)OC(=O)C)OC(=O)C","UZHLIVHDPREMDM-UHFFFAOYSA-N",395505,NA,"PDBC35997","700147","Present",NA,NA
+"35998","Ethyl 4-(((2,3-dimethoxy-6-quinoxalinyl)methyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(((2,3-dimethoxy-6-quinoxalinyl)methyl)amino)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","IKPWCHIYGLJNMQ-UHFFFAOYSA-N",380870,NA,"PDBC35998","666613","Present",NA,NA
+"35999","Ethyl 4-(((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methyl)amino)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4","DPNVDWUURGMMCV-UHFFFAOYSA-N",380869,NA,"PDBC35999","666612","Present",NA,NA
+"36000","Ethyl 4-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-((1-((ethoxycarbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)amino)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OCC","WPEQIOGQRUGNDM-UHFFFAOYSA-N",383555,NA,"PDBC36000","671973","Present",NA,NA
+"36001","Ethyl 4-((2,2,2-trifluoro-1-(propionylamino)-1-(trifluoromethyl)ethyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-((2,2,2-trifluoro-1-(propionylamino)-1-(trifluoromethyl)ethyl)amino)benzoate",NA,"CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)C(=O)OCC","VFFRLYOSITXMEU-UHFFFAOYSA-N",383557,NA,"PDBC36001","671975","Present",NA,NA
+"36002","Ethyl 4-((2-(2-anilino-2-thioxoethylidene)-4-((4-(ethoxycarbonyl)phenyl)imino)-3-phenyl-1,3-thiazolidin-5-ylidene)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[(2Z)-2-(2-anilino-2-sulfanylideneethylidene)-5-(4-ethoxycarbonylphenyl)imino-3-phenyl-1,3-thiazolidin-4-ylidene]amino]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C(=O)OCC)SC(=CC(=S)NC4=CC=CC=C4)N2C5=CC=CC=C5","YDLKKRULGHPHGG-XPNZPXLISA-N",5468534,NA,"PDBC36002","671369","Present",NA,NA
+"36003","Ethyl 4-((2-ethoxy-2-oxoethyl)imino)-2-(methylthio)-6-(phenylthio)-4H-imidazo[5,1-b][1,3,5]thiadiazine-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(2-ethoxy-2-oxoethyl)imino-2-methylsulfanyl-6-phenylsulfanylimidazo[5,1-b][1,3,5]thiadiazine-8-carboxylate",NA,"CCOC(=O)CN=C1N=C(SC2=C(N=C(N21)SC3=CC=CC=C3)C(=O)OCC)SC","WTMAVTGBKXBWRC-UHFFFAOYSA-N",372505,NA,"PDBC36003","647621","Present",NA,NA
+"36004","Ethyl 4-((3-(4-(ethoxycarbonyl)anilino)-2H-1,4-benzothiazin-2-ylidene)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-((3-(4-(ethoxycarbonyl)anilino)-2H-1,4-benzothiazin-2-ylidene)amino)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3SC2=NC4=CC=C(C=C4)C(=O)OCC","PDRBKBDXNLQMAH-UHFFFAOYSA-N",383310,NA,"PDBC36004","671423","Present",NA,NA
+"36005","Ethyl 4-((3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-((3-phenyl-7-(trifluoromethyl)-2-quinoxalinyl)methoxy)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)OCC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","DQXAKFBNVXDXPY-UHFFFAOYSA-N",387369,NA,"PDBC36005","681121","Present",NA,NA
+"36006","Ethyl 4-((4-((2-cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-((4-((2-cyanoethyl)(phenylsulfonyl)amino)-2-methylbenzylidene)amino)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)N=CC2=C(C=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3)C","KTCVSODVBJGAAV-UHFFFAOYSA-N",369350,NA,"PDBC36006","641105","Present",NA,NA
+"36007","Ethyl 4-((4-(bis(2-cyanoethyl)amino)-2-methylphenyl)diazenyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Carboxyethyl-(2'-methyl-4'-N,N-bis-2'cyanoethylamino) ...",NA,"CCOC(=O)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)N(CCC#N)CCC#N)C","DXZDIMFXDBISEA-UHFFFAOYSA-N",365296,NA,"PDBC36007","632847","Present",NA,NA
+"36008","Ethyl 4-((5-((4-(ethoxycarbonyl)phenyl)imino)-3-(4-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-ylidene)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[5-(4-ethoxycarbonylphenyl)imino-3-(4-fluorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-ylidene]amino]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C(=O)OCC)SC(=S)N2C4=CC=C(C=C4)F","JTPHXCIGGJOXSF-UHFFFAOYSA-N",383238,NA,"PDBC36008","671353","Present",NA,NA
+"36009","Ethyl 4-((6-(dimethylamino)-6-oxohexanoyl)amino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-((6-(dimethylamino)-6-oxohexanoyl)amino)butanoate",NA,"CCOC(=O)CCCNC(=O)CCCCC(=O)N(C)C","UXXNAICCSJDVQD-UHFFFAOYSA-N",391823,NA,"PDBC36009","691410","Present",NA,NA
+"36010","Ethyl 4-((6-(trifluoromethyl)-2-quinoxalinyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-((6-(trifluoromethyl)-2-quinoxalinyl)amino)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=CN=C3C=C(C=CC3=N2)C(F)(F)F","UXEBFVZZSYFVAM-UHFFFAOYSA-N",384946,NA,"PDBC36010","675770","Present",NA,NA
+"36011","Ethyl 4-((7-((4-ethoxy-4-oxobutyl)thio)-4-oxoheptyl)thio)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-((7-((4-ethoxy-4-oxobutyl)thio)-4-oxoheptyl)thio)butanoate",NA,"CCOC(=O)CCCSCCCC(=O)CCCSCCCC(=O)OCC","JIOZZKYOOFYLRW-UHFFFAOYSA-N",373747,NA,"PDBC36011","650646","Present",NA,NA
+"36012","Ethyl 4-(1,2,3,4-tetrahydroacridin-9-ylamino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1,2,3,4-tetrahydroacridin-9-ylamino)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=C3CCCCC3=NC4=CC=CC=C42","ZBDFMRBYPGWSBX-UHFFFAOYSA-N",394840,NA,"PDBC36012","698692","Present",NA,NA
+"36013","Ethyl 4-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[(1,3,4-thiadiazol-2-ylamino)carbonyl]a...",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NN=CS2","HQRBNMAPONQOJI-UHFFFAOYSA-N",323649,NA,"PDBC36013","285689","Present",NA,NA
+"36014","Ethyl 4-(1,3-benzodioxol-5-yl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1,3-benzodioxol-5-yl)-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate",NA,"CCOC(=O)C1C(C2=C(CC1(C)O)NNC2=O)C3=CC4=C(C=C3)OCO4","NEXJFTCNOGSRRT-UHFFFAOYSA-N",392850,NA,"PDBC36014","693862","Present",NA,NA
+"36015","Ethyl 4-(1,3-benzodioxol-5-yl)-6-ethoxy-3,6-dihydroxy-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1,3-benzodioxol-5-yl)-6-ethoxy-3,6-dihydroxy-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate",NA,"CCOC(=O)C1C(C2=C(CC1(O)OCC)NNC2=O)C3=CC4=C(C=C3)OCO4","LHKQHVPPVCIWIZ-UHFFFAOYSA-N",392851,NA,"PDBC36015","693863","Present",NA,NA
+"36016","Ethyl 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1,3-diphenyl-1H-pyrazol-4-yl)-2-methyl-5-oxo-5H-indeno[1,2-b]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N=C2C3=CC=CC=C3C(=O)C2=C1C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C","NESPCIIZNOJNMP-UHFFFAOYSA-N",391366,NA,"PDBC36016","690397","Present",NA,NA
+"36017","Ethyl 4-(1,3-thiazol-2-ylcarbamoylamino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzoic acid, 4-[[(2-thiazolylamino)carbonyl]amino]-, et...",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NC=CS2","OMEMETVMVIWGLI-UHFFFAOYSA-N",307683,NA,"PDBC36017","205795","Present",NA,NA
+"36018","Ethyl 4-(1-(2-methylbutyl)-2-thioxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate",NA,"CCC(C)CN1CCC(C1=S)C2=C(NC(=C2)C(=O)OCC)C3=CC(=NO3)C","LOBREDKSHZCROZ-UHFFFAOYSA-N",393082,NA,"PDBC36018","694467","Present",NA,NA
+"36019","Ethyl 4-(1-acetylpyrrol-3-yl)-5-(4-methyl-2-furyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1-acetylpyrrol-3-yl)-5-(4-methyl-2-furyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)C2=CC(=CO2)C)C3=CN(C=C3)C(=O)C","TUPBVOVSECODQX-UHFFFAOYSA-N",393280,NA,"PDBC36019","694946","Present",NA,NA
+"36020","Ethyl 4-(1-allyl-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1-allyl-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3CCN(C3=O)CC=C","LCPLACSTDUORKO-UHFFFAOYSA-N",393081,NA,"PDBC36020","694466","Present",NA,NA
+"36021","Ethyl 4-(1-allyl-3-hydroxypyrrolidin-3-yl)-5-(3-methylisoxazol-5-yl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1-allyl-3-hydroxypyrrolidin-3-yl)-5-(3-methylis...",NA,"CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3(CCN(C3)CC=C)O","ZTNCVERONIXYMS-UHFFFAOYSA-N",392538,NA,"PDBC36021","693054","Present",NA,NA
+"36022","Ethyl 4-(1-benzyl-2-oxo-pyrrolidin-3-yl)-5-(2-diazo-3-oxo-butanoyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1-benzyl-2-oxo-pyrrolidin-3-yl)-5-(2-diazo-3-oxo-butanoyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)C(=O)C(=[N+]=[N-])C(=O)C)C2CCN(C2=O)CC3=CC=CC=C3","FFBUUOTWASPBER-UHFFFAOYSA-N",393089,NA,"PDBC36022","694474","Present",NA,NA
+"36023","Ethyl 4-(1-benzyl-2-sulfanylidenepyrrolidin-3-yl)-5-(2-diazoacetyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-(1-Benzyl-2-thioxo-pyrrolidin-3-yl)-5-ethoxycarbonyl-1h-pyrrol-2-yl]-2-diazonio-ethenolate",NA,"CCOC(=O)C1=CC(=C(N1)C(=O)C=[N+]=[N-])C2CCN(C2=S)CC3=CC=CC=C3","RBAZKGNYSIOSAW-UHFFFAOYSA-N",392923,NA,"PDBC36023","694107","Present",NA,NA
+"36024","Ethyl 4-(1-benzyl-3-hydroxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1-benzyl-3-hydroxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3(CCN(C3=O)CC4=CC=CC=C4)O","KXEUCMAZHVDAMC-UHFFFAOYSA-N",393278,NA,"PDBC36024","694944","Present",NA,NA
+"36025","Ethyl 4-(1-benzyl-3-methoxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1-benzyl-3-methoxy-2-oxo-3-pyrrolidinyl)-5-(3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3(CCN(C3=O)CC4=CC=CC=C4)OC","OCZQAQBAHKBUQZ-UHFFFAOYSA-N",392919,NA,"PDBC36025","694103","Present",NA,NA
+"36026","Ethyl 4-(1H-1,2,3-benzotriazol-1-yl)-1-methyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(1H-1,2,3-benzotriazol-1-yl)-1-methyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=CN1C)N2C3=CC=CC=C3N=N2","TUKRIFBJWPGQEG-UHFFFAOYSA-N",378967,NA,"PDBC36026","662559","Present",NA,NA
+"36027","Ethyl 4-(2-(2-methoxyphenyl)-6-oxo-4-(2-thienyl)-1,4-cyclohexadien-1-yl)-2,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[2-(2-methoxyphenyl)-6-oxo-4-thiophen-2-ylcyclohexa-1,4-dien-1-yl]-2,4-dioxobutanoate",NA,"CCOC(=O)C(=O)CC(=O)C1=C(CC(=CC1=O)C2=CC=CS2)C3=CC=CC=C3OC","YQEZFCQDIHTKMT-UHFFFAOYSA-N",392309,NA,"PDBC36027","692585","Present",NA,NA
+"36028","Ethyl 4-(2-(ethylthio)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-ethylthio-5,6-dimethyl-4-oxo-3,4-dihydro-thieno/2,3...",NA,"CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC)SC(=C3C)C","KXOYSMWLMKXHSQ-UHFFFAOYSA-N",374234,NA,"PDBC36028","651729","Present",NA,NA
+"36029","Ethyl 4-(2-amino-3-cyano-4-phenylpyrrol-1-yl)-3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(2-amino-3-cyano-4-phenyl-pyrrol-1-yl)-3-(4-chlorophenyl)-2-thioxo-thiazole-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)S1)C2=CC=C(C=C2)Cl)N3C=C(C(=C3N)C#N)C4=CC=CC=C4","HFAZFBLYMSUHNK-UHFFFAOYSA-N",398263,NA,"PDBC36029","707977","Present",NA,NA
+"36030","Ethyl 4-(2-aminopropanoyl-methyl-amino)azobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(2-aminopropanoyl-methyl-amino)azobenzoate",NA,"CCOC(=O)C1=CC=C(C=C1)N=NN(C)C(=O)C(C)N","RAYHVYBBWUAVSG-UHFFFAOYSA-N",394860,NA,"PDBC36030","698948","Present",NA,NA
+"36031","Ethyl 4-(3,4-dimethoxy-5-nitro-phenyl)-1-methyl-5-nitro-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(3,4-dimethoxy-5-nitrophenyl)-1-methyl-5-nitro-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1C)[N+](=O)[O-])C2=CC(=C(C(=C2)OC)OC)[N+](=O)[O-]","CFXQCBMINKCWRC-UHFFFAOYSA-N",378978,NA,"PDBC36031","662570","Present",NA,NA
+"36032","Ethyl 4-(3,4-dimethoxyanilino)-5-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(3,4-dimethoxyanilino)-5-[(3-ethoxy-3-oxopropanoyl)amino]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)CC(=O)NC1=C(SC2=NC(=NC(=C12)NC3=CC(=C(C=C3)OC)OC)SC)C(=O)OCC","RARREQRFWZJNJV-UHFFFAOYSA-N",399948,NA,"PDBC36032","711100","Present",NA,NA
+"36033","Ethyl 4-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(3,4-dimethoxyphenyl)-1-methyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=CN1C)C2=CC(=C(C=C2)OC)OC","YIZQWBHGZYECIA-UHFFFAOYSA-N",378966,NA,"PDBC36033","662558","Present",NA,NA
+"36034","Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(3,4-dimethoxyphenyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=CN1)C2=CC(=C(C=C2)OC)OC","BXMIPSHBHFUGJK-UHFFFAOYSA-N",378968,NA,"PDBC36034","662560","Present",NA,NA
+"36035","Ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4,5-dihydro-1,3-thiazol-2-ylcarbamoylamino)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=O)NC2=NCCS2","MHLLHTZJLCRFCU-UHFFFAOYSA-N",324933,NA,"PDBC36035","291927","Present",NA,NA
+"36036","Ethyl 4-(4-allyloxy-3-methoxy-phenyl)-6-ethoxy-3,6-dihydroxy-2,4,5,7-tetrahydroindazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-ethoxy-6-hydroxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate",NA,"CCOC(=O)C1C(C2=C(CC1(O)OCC)NNC2=O)C3=CC(=C(C=C3)OCC=C)OC","SNBPENMFILLKFM-UHFFFAOYSA-N",392849,NA,"PDBC36036","693861","Present",NA,NA
+"36037","Ethyl 4-(4-amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-amino-6-hydroxy-2-methyl-5-pyrimidinyl)-1-piperazinecarboxylate",NA,"CCOC(=O)N1CCN(CC1)C2=C(N=C(NC2=O)C)N","SDFVBOCWPLVRMD-UHFFFAOYSA-N",135454743,NA,"PDBC36037","673112","Present",NA,NA
+"36038","Ethyl 4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-2-diazo-3-oxobutanoate;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-2-diazo-3-oxobutanoate;bromide",NA,"CCOC(=O)C(=[N+]=[N-])C(=O)C[N+]12CCN(CC1)CC2.[Br-]","VROJCRAYYLBQAX-UHFFFAOYSA-M",394442,NA,"PDBC36038","697918","Present",NA,NA
+"36039","Ethyl 4-(4-chloroanilino)-7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-chloroanilino)-7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3-dioxo-2-phenylpyrrolo[3,4-d]indole-9-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(=C(C=C2)NC4=CC=C(C=C4)Cl)C(=O)N(C3=O)C5=CC=CC=C5)O)C6=CC=C(C=C6)Cl)C","SGGUHZKCVSVMLP-UHFFFAOYSA-N",404595,NA,"PDBC36039","720987","Present",NA,NA
+"36040","Ethyl 4-(4-chlorophenyl)-1-methyl-5-nitro-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-chlorophenyl)-1-methyl-5-nitro-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1C)[N+](=O)[O-])C2=CC=C(C=C2)Cl","QVGUWKMDAAAPFF-UHFFFAOYSA-N",378979,NA,"PDBC36040","662571","Present",NA,NA
+"36041","Ethyl 4-(4-chlorophenyl)-5-cyano-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-chlorophenyl)-5-cyano-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate",NA,"CCOC=NC1=C(C(C2=C(O1)N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=C(C=C5)Cl)C#N","KYNYNSOJBPKYSS-FDAWAROLSA-N",9571628,NA,"PDBC36041","691416","Present",NA,NA
+"36042","Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","XPNWJRUOPHZWHJ-UHFFFAOYSA-N",381202,NA,"PDBC36042","667533","Present",NA,NA
+"36043","Ethyl 4-(4-chlorophenyl)-5-cyano-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-chlorophenyl)-5-cyano-2-phenyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","PUDDNCIEVAXGDV-UHFFFAOYSA-N",381278,NA,"PDBC36043","667714","Present",NA,NA
+"36044","Ethyl 4-(4-chlorophenyl)-5-cyano-2-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-chlorophenyl)-5-cyano-2-phenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","JQODQEJNUFACEM-UHFFFAOYSA-N",381280,NA,"PDBC36044","667716","Present",NA,NA
+"36045","Ethyl 4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinecarboxylate",NA,"CCOC(=O)N1CCN(CC1)C2=C(N=C(NC2=O)C)C","YBHRBZROUHKOKW-UHFFFAOYSA-N",135406801,NA,"PDBC36045","673101","Present",NA,NA
+"36046","Ethyl 4-(4-methoxyphenyl)-1-methyl-5-nitro-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-methoxyphenyl)-1-methyl-5-nitro-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1C)[N+](=O)[O-])C2=CC=C(C=C2)OC","TWJCFLSTYOAFCZ-UHFFFAOYSA-N",378977,NA,"PDBC36046","662569","Present",NA,NA
+"36047","Ethyl 4-(4-methoxyphenyl)-5-nitro-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-methoxyphenyl)-5-nitro-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)[N+](=O)[O-])C2=CC=C(C=C2)OC","APWHLKGYXAFNQM-UHFFFAOYSA-N",378980,NA,"PDBC36047","662572","Present",NA,NA
+"36048","Ethyl 4-(4-morpholin-4-ylbut-2-ynylamino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-morpholinobut-2-ynylamino)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NCC#CCN2CCOCC2","ZNJHLZIMABWXOD-UHFFFAOYSA-N",399010,NA,"PDBC36048","709431","Present",NA,NA
+"36049","Ethyl 4-(4-piperidin-1-ylbut-2-ynylamino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[4-(1-piperidyl)but-2-ynylamino]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NCC#CCN2CCCCC2","NTFLMRBMTVSCSV-UHFFFAOYSA-N",399009,NA,"PDBC36049","709430","Present",NA,NA
+"36050","Ethyl 4-(5,7-dimethyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(5,7-dimethyl-1,8-naphthyridin-2-yl)piperazine-1-carboxylate",NA,"CCOC(=O)N1CCN(CC1)C2=NC3=C(C=C2)C(=CC(=N3)C)C","AUQSTCJTZDZRNR-UHFFFAOYSA-N",390344,NA,"PDBC36050","687680","Present",NA,NA
+"36051","Ethyl 4-(5,7-dimethyl-4-oxo-4H-chromen-3-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(5,7-dimethyl-4-oxochromen-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)NC1C2=COC3=CC(=CC(=C3C2=O)C)C)C","IJIJGOPEHCMIKT-UHFFFAOYSA-N",332937,NA,"PDBC36051","332471","Present",NA,NA
+"36052","Ethyl 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(5-cyano-2-methyl-1-phenyl-6-thioxo-pyrimidin-4-yl)piperazine-1-carboxylate",NA,"CCOC(=O)N1CCN(CC1)C2=C(C(=S)N(C(=N2)C)C3=CC=CC=C3)C#N","WNIKPTSOQOWMPU-UHFFFAOYSA-N",388267,NA,"PDBC36052","682881","Present",NA,NA
+"36053","Ethyl 4-(7-amino-1,8-naphthyridin-2-yl)piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(7-amino-1,8-naphthyridin-2-yl)piperazine-1-carboxylate",NA,"CCOC(=O)N1CCN(CC1)C2=NC3=C(C=CC(=N3)N)C=C2","HOFXNELWUHMRKV-UHFFFAOYSA-N",390345,NA,"PDBC36053","687681","Present",NA,NA
+"36054","Ethyl 4-(acetyloxy)-6-benzyl-3,6-dihydropyrrolo[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(acetyloxy)-6-benzyl-3,6-dihydropyrrolo[3,2-e]indole-2-carboxylate",NA,"CCOC(=O)C1=CC2=C3C=CN(C3=CC(=C2N1)OC(=O)C)CC4=CC=CC=C4","GBJRZVNBEUMTPL-UHFFFAOYSA-N",393084,NA,"PDBC36054","694469","Present",NA,NA
+"36055","Ethyl 4-(aziridin-1-yl)-2-[(3,4-dichlorophenyl)methylsulfanyl]pyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(aziridin-1-yl)-2-[(3,4-dichlorobenzyl)sulfanyl]pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=CN=C(N=C1N2CC2)SCC3=CC(=C(C=C3)Cl)Cl","ROHYAWFAFFDKEH-UHFFFAOYSA-N",246322,NA,"PDBC36055","59244","Present",NA,NA
+"36056","Ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(pyrrolo[1,2-a]quinoxalin-4-ylamino)benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4","DQQYAUGXYKNVPF-UHFFFAOYSA-N",400207,NA,"PDBC36056","711725","Present",NA,NA
+"36057","Ethyl 4-Diethylamino-5-phenyl-1H-pyrazole-3-carboxylat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-Diethylamino-5-phenyl-1H-pyrazole-3-carboxylat",NA,"CCN(CC)C1=C(NN=C1C2=CC=CC=C2)C(=O)OC","AFMXRIDUEKOCHI-UHFFFAOYSA-N",406395,NA,"PDBC36057","724459","Present",NA,NA
+"36058","Ethyl 4-[(1,3-dihydro-1H-2-isoindolyl)methyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 4-[(1,3-dioxo-2,3-dihydro-1H-2-isoindolyl)methyl]-...",NA,"CCOC(=O)C1=C(NC(=O)NC1CN2C(=O)C3=CC=CC=C3C2=O)C","UEIMAGGPUNNMSZ-UHFFFAOYSA-N",45028356,NA,"PDBC36058","742297","Present",NA,NA
+"36059","Ethyl 4-[(1Z,4Z,9Z,15Z)-10,15,20-tris(4-ethoxysulfonylphenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[10,15,20-tris(4-ethoxysulfonylphenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonate",NA,"CCOS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)OCC)C8=CC=C(C=C8)S(=O)(=O)OCC)C=C4)C9=CC=C(C=C9)S(=O)(=O)OCC)N3","LCIXMELAVITKRN-UHFFFAOYSA-N",135489822,NA,"PDBC36059","681459","Present",NA,NA
+"36060","Ethyl 4-[(2,6-dihydroxypyrimidin-4-yl)methylsulfanyl]-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[(2,4-dioxo-1H-pyrimidin-6-yl)methylsulfanyl]-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCC4=CC(=O)NC(=O)N4","MGCLFNHMMTWBRI-UHFFFAOYSA-N",391230,NA,"PDBC36060","690127","Present",NA,NA
+"36061","Ethyl 4-[(2,6-dimethylmorpholine-4-carbonyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL504136",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC(OC(C2)C)C","KVXPPXDWVITJJU-UHFFFAOYSA-N",327470,NA,"PDBC36061","302635","Present",NA,NA
+"36062","Ethyl 4-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[(2-benzoyl-1-cyano-1-isoquinolyl)methyl]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(C=CN=C1)CC2(C3=CC=CC=C3C=CN2C(=O)C4=CC=CC=C4)C#N","OLPGJVHTFSXMJW-UHFFFAOYSA-N",388283,NA,"PDBC36062","682923","Present",NA,NA
+"36063","Ethyl 4-[(4-chloro-3-oxobutyl)(formyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[(4-chloro-3-oxobutyl)(formyl)amino]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)N(CCC(=O)CCl)C=O","YTIHVRBBTKXDRM-UHFFFAOYSA-N",254720,NA,"PDBC36063","79250","Present",NA,NA
+"36064","Ethyl 4-[(4-chlorophenyl)amino]quinazoline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 4-(4-chloroanilino)-2-quinazolinecarboxylate",NA,"CCOC(=O)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)Cl","SYDVUJBKMSUPLY-UHFFFAOYSA-N",731975,NA,"PDBC36064","730029","Present",NA,NA
+"36065","Ethyl 4-[(4-methyl-2-oxochromen-7-yl)oxycarbonylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[(4-methyl-2-oxochromen-7-yl)oxycarbonylamino]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC3=C(C=C2)C(=CC(=O)O3)C","SLEWPYRGRKTWPF-UHFFFAOYSA-N",310744,NA,"PDBC36065","215669","Present",NA,NA
+"36066","Ethyl 4-[(4Z)-4-(methoxymethylene)-1,3-dioxo-2-isoquinolyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[(4Z)-4-(methoxymethylene)-1,3-dioxo-2-isoquinolyl]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=COC)C2=O","VYGSERHEQLZFSX-ATVHPVEESA-N",3004090,NA,"PDBC36066","627268","Present",NA,NA
+"36067","Ethyl 4-[(4Z)-4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylene]-2-(2-chloro-5-nitro-phenyl)-5-oxo-imidazol-1-yl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[(4Z)-4-[[4-[bis(2-cyanoethyl)amino]phenyl]methylidene]-2-(2-chloro-5-nitrophenyl)-5-oxoimidazol-1-yl]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","KEOFXYHXSTUXDQ-USHMODERSA-N",5920471,NA,"PDBC36067","642575","Present",NA,NA
+"36068","Ethyl 4-[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[(7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate",NA,"CCOC(=O)N1CCN(CC1)CC2=CC(=O)N3C=C(C=CC3=N2)C","ARTOYGMMBKMGHU-UHFFFAOYSA-N",390349,NA,"PDBC36068","687685","Present",NA,NA
+"36069","Ethyl 4-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[(8-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-carboxylate",NA,"CCOC(=O)N1CCN(CC1)CC2=CC(=O)N3C=CC(=CC3=N2)C","JZZBHQLCWMLBIN-UHFFFAOYSA-N",390350,NA,"PDBC36069","687686","Present",NA,NA
+"36070","Ethyl 4-[(E)-(ethoxycarbonylhydrazono)methyl]-5-methyl-1-oxo-5H-thiadiazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[(E)-(ethoxycarbonylhydrazono)methyl]-5-methyl-1-oxo-5H-thiadiazole-2-carboxylate",NA,"CCOC(=O)NN=CC1=NN(S(=O)C1C)C(=O)OCC","PPPFFCDWJZPICM-IZZDOVSWSA-N",9571620,NA,"PDBC36070","690789","Present",NA,NA
+"36071","Ethyl 4-[1-(benzenesulfonyl)-4-methyl-pyrrol-3-yl]-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[1-(benzenesulfonyl)-4-methyl-pyrrol-3-yl]-1H-pyrrole-3-carboxylate",NA,"CCOC(=O)C1=CNC=C1C2=CN(C=C2C)S(=O)(=O)C3=CC=CC=C3","FNXSUGWPFCEMBK-UHFFFAOYSA-N",386823,NA,"PDBC36071","679531","Present",NA,NA
+"36072","Ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[2,3,4-tris(1-ethoxycarbonylpyridin-4-ylidene)cyclobutylidene]pyridine-1-carboxylate",NA,"CCOC(=O)N1C=CC(=C2C(=C3C=CN(C=C3)C(=O)OCC)C(=C4C=CN(C=C4)C(=O)OCC)C2=C5C=CN(C=C5)C(=O)OCC)C=C1","RRFZNTZTIXTQNT-UHFFFAOYSA-N",336310,NA,"PDBC36072","350013","Present",NA,NA
+"36073","Ethyl 4-[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[2-(5-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carbonyl]piperazine-1-carboxylate",NA,"CCOC(=O)N1CCN(CC1)C(=O)C2=C(N=C(C=C2)C(F)(F)F)NC3=C(C=CC(=C3)Cl)C","OARRZLOEDHJRKZ-UHFFFAOYSA-N",44456786,NA,"PDBC36073","740180","Present",NA,NA
+"36074","Ethyl 4-[2-(diethylamino)ethylsulfanyl]-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(2-diethylaminoethylsulfanyl)-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate",NA,"CCN(CC)CCSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC","JSUPZBWMSLCKBV-UHFFFAOYSA-N",396732,NA,"PDBC36074","703442","Present",NA,NA
+"36075","Ethyl 4-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,3-d]pyrimidin-3-yl]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[2-(methylsulfanyl)-4-oxo-5-phenyl-4,7-dihydro-3...",NA,"CCOC(=O)CCCN1C(=O)C2=C(NC=C2C3=CC=CC=C3)N=C1SC","XULUWPMSWGDKEI-UHFFFAOYSA-N",24205306,NA,"PDBC36075","734981","Present",NA,NA
+"36076","Ethyl 4-[3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 4-[3-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-3...",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","MEXSBRQKOGSBNE-UHFFFAOYSA-N",1194875,NA,"PDBC36076","732824","Present",NA,NA
+"36077","Ethyl 4-[3-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)pent-4-enyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[3-(2,6-diamino-4-oxo-1,4-dihydropyrimidin-5-yl)pent-4-en-1-yl]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)CCC(C=C)C2=C(N=C(NC2=O)N)N","FGBZUJXPLVUXJQ-UHFFFAOYSA-N",135426807,NA,"PDBC36077","719348","Present",NA,NA
+"36078","Ethyl 4-[3-(diethylamino)propylamino]-1,7-phenanthroline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[3-(DIETHYLAMINO)PROPYL]AMINO]-1,7-PHENANTHROLINE-3-C...",NA,"CCN(CC)CCCNC1=C2C=CC3=C(C2=NC=C1C(=O)OCC)C=CC=N3","ZJGAXMSUVRMDJR-UHFFFAOYSA-N",318001,NA,"PDBC36078","252021","Present",NA,NA
+"36079","Ethyl 4-[3-(dimethylamino)propylamino]-6,8-dimethylquinoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 4-(3-dimethylaminopropylamino)-6,8-dimethyl-quinol...",NA,"CCOC(=O)C1=C(C2=CC(=CC(=C2N=C1)C)C)NCCCN(C)C","DRDAFDJAYXZMJW-UHFFFAOYSA-N",1643524,NA,"PDBC36079","749168","Present",NA,NA
+"36080","Ethyl 4-[3-hydroxy-1-(2-methylbutyl)-2-oxopyrrolidin-3-yl]-5-(3-methylisoxazol-5-yl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[3-hydroxy-1-(2-methylbutyl)-2-oxopyrrolidin-3-yl]-5-(3-methyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxylate",NA,"CCC(C)CN1CCC(C1=O)(C2=C(NC(=C2)C(=O)OCC)C3=CC(=NO3)C)O","CNOKFXLSLBHYKD-UHFFFAOYSA-N",393079,NA,"PDBC36080","694464","Present",NA,NA
+"36081","Ethyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)NC1C2=C(C=C(C=C2)N(CCCl)CCCl)Cl)C","SOXTZTWVQJRGPM-UHFFFAOYSA-N",296181,NA,"PDBC36081","166052","Present",NA,NA
+"36082","Ethyl 4-[5-(2-cyclohexylphenoxy)pentyl]piperazine-1-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperazinecarboxylic acid, 4-[5-(o-cyclohexylphenoxy)p...",NA,"CCOC(=O)N1CCN(CC1)CCCCCOC2=CC=CC=C2C3CCCCC3.Cl","JDARFFZSLWKJEE-UHFFFAOYSA-N",21144146,NA,"PDBC36082","22148","Present",NA,NA
+"36083","Ethyl 4-[6-(2-furyl)-2-(methylsulfanyl)-4-oxo-4,2-d]pyrimidin-3-yl]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[6-(2-furyl)-2-(methylsulfanyl)-4-oxo-4,5-dihydr...",NA,"CCOC(=O)CCCN1C(=O)C2=C(C=C(N2)C3=CC=CO3)N=C1SC","XHAVMRPHKVLXRT-UHFFFAOYSA-N",24205307,NA,"PDBC36083","734982","Present",NA,NA
+"36084","Ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate",NA,"CCOC(=O)N1CCC(CC1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","DUMFAXPMUDPKMH-NBXKPWTLSA-N",375037,NA,"PDBC36084","653863","Present",NA,NA
+"36085","Ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[(5S,5aS)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]amino]piperidine-1-carboxylate;hydrochloride",NA,"CCOC(=O)N1CCC(CC1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC.Cl","NIFAUZLHLDJVMD-JMJLHCGTSA-N",375038,NA,"PDBC36085","653864","Present",NA,NA
+"36086","Ethyl 4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-2-hydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]-2-hydroxybenzoate",NA,"CCOC(=O)C1=C(C=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC)O","OMOBADFSMNZPBD-HPMOTZJNSA-N",363639,NA,"PDBC36086","628668","Present",NA,NA
+"36087","Ethyl 4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[5,5a,6,8,8a,9-hexahydro-9-(4-hydroxy-3...",NA,"CCOC(=O)C1=CC=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","ZNWQWFQNGLVVJN-WXIMRCAWSA-N",363634,NA,"PDBC36087","628663","Present",NA,NA
+"36088","Ethyl 4-[[(5S,8aR)-9-(5-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[(5S,8aR)-9-(5-methoxy-3,4-dioxocyclohexa-1,5-dien-1-yl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=O)C(=O)C(=C6)OC","ZCHXQEVPGKFYQP-LYJLOTJCSA-N",369956,NA,"PDBC36088","642323","Present",NA,NA
+"36089","Ethyl 4-[[(E)-1-chloropropylideneamino]oxycarbonylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672044",NA,"CCC(=NOC(=O)NC1=CC=C(C=C1)C(=O)OCC)Cl","RRKPDTLSYBKQCA-LFIBNONCSA-N",5494345,NA,"PDBC36089","672044","Present",NA,NA
+"36090","Ethyl 4-[[(Z)-1-(1-adamantyl)-3-(4-ethoxycarbonylphenyl)iminoprop-1-enyl]amino]benzoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[(Z)-1-(1-adamantyl)-3-(4-ethoxycarbonylphenyl)iminoprop-1-enyl]amino]benzoate;hydrochloride",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=CC=NC2=CC=C(C=C2)C(=O)OCC)C34CC5CC(C3)CC(C5)C4.Cl","CEWPUUYNXCSHSP-RIMWMRFGSA-N",5471289,NA,"PDBC36090","710281","Present",NA,NA
+"36091","Ethyl 4-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-(2-tert-butoxycarbonylhydrazino)-5-oxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate",NA,"CCOC(=O)CCC(C(=O)NNC(=O)OC(C)(C)C)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1","VIYCSFGZWQRWTC-UHFFFAOYSA-N",381610,NA,"PDBC36091","668423","Present",NA,NA
+"36092","Ethyl 4-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-[[1-[(tert-butoxycarbonylamino)carbamoyl]-4-ethoxy-4-oxo-butyl]amino]-5-oxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[[5-ethoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-4-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate",NA,"CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NNC(=O)OC(C)(C)C)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1","PHIMBOLVZPLTLR-UHFFFAOYSA-N",381611,NA,"PDBC36092","668424","Present",NA,NA
+"36093","Ethyl 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)thiophen-2-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[4-amino-3-cyano-5-(3-nitrobenzoyl)-2-t...",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])N)C#N","BBMXMYSEICDMIK-UHFFFAOYSA-N",304907,NA,"PDBC36093","201631","Present",NA,NA
+"36094","Ethyl 4-[[4-amino-5-(4-bromobenzoyl)-3-cyanothiophen-2-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[4-amino-5-(4-bromobenzoyl)-3-cyano-2-t...",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Br)N)C#N","HKWFRRXKDSRFBN-UHFFFAOYSA-N",304896,NA,"PDBC36094","201618","Present",NA,NA
+"36095","Ethyl 4-[[5-[[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[5-[[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]benzoate",NA,"CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNCC3C(C4C(O3)OC(O4)(C)C)NC(=O)NC5=CC=C(C=C5)C(=O)OCC","SOGIRMHMEQWKQC-UHFFFAOYSA-N",45028440,NA,"PDBC36095","742854","Present",NA,NA
+"36096","Ethyl 4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[7-(trifluoromethyl)quinoxalin-2-yl]amino]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2=CN=C3C=CC(=CC3=N2)C(F)(F)F","JHASSYZZFXHJQQ-UHFFFAOYSA-N",389669,NA,"PDBC36096","686046","Present",NA,NA
+"36097","Ethyl 4-[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)NC2C(C(C3=CC4=C(C=C3O2)OCO4)C5=CC(=C(C(=C5)OC)OC)OC)C","HCTURDIOIWGOOY-UHFFFAOYSA-N",384850,NA,"PDBC36097","675368","Present",NA,NA
+"36098","Ethyl 4-[[butanoyl(methyl)amino]diazenyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[[butanoyl(methyl)amino]diazenyl]benzoate",NA,"CCCC(=O)N(C)N=NC1=CC=C(C=C1)C(=O)OCC","UDJCHZPRKVITKX-UHFFFAOYSA-N",386270,NA,"PDBC36098","678026","Present",NA,NA
+"36099","Ethyl 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[bis(2-methylsulfonyloxyethyl)amino]-2-methylbenzoate",NA,"CCOC(=O)C1=C(C=C(C=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)C","IIVWOVIPPFUTNX-UHFFFAOYSA-N",45027800,NA,"PDBC36099","717120","Present",NA,NA
+"36100","Ethyl 4-[bis(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[bis(2-{[(4-methylphenyl)sulfonyl]oxy}ethyl)amino]benzoate",NA,"CCOC(=O)C1=CC=C(C=C1)N(CCOS(=O)(=O)C2=CC=C(C=C2)C)CCOS(=O)(=O)C3=CC=C(C=C3)C","LFMCXGOXPYSVNK-UHFFFAOYSA-N",256046,NA,"PDBC36100","82274","Present",NA,NA
+"36101","Ethyl 4-acetyl-7-methyl-5,8,9,10-tetrahydroindolo[4,3-fg]quinoline-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-acetyl-7-methyl-5,8,9,10-tetrahydroindolo[4,3-fg]quinoline-9-carboxylate",NA,"CCOC(=O)C1CC2=C(C=C3CN(C4=CC=CC2=C34)C(=O)C)N(C1)C","HIFGKEIANTWACZ-UHFFFAOYSA-N",356223,NA,"PDBC36101","611377","Present",NA,NA
+"36102","Ethyl 4-amino-3-carbamoyl-[1,2,4]triazino[4,3-a]indole-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-amino-3-carbamoyl[1,2,4]triazino[4,3-a]indole-10-carboxylate",NA,"CCOC(=O)C1=C2N=NC(=C(N2C3=CC=CC=C31)N)C(=O)N","LKJUJVWOSNHETF-UHFFFAOYSA-N",403964,NA,"PDBC36102","719735","Present",NA,NA
+"36103","Ethyl 4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv2_000211",NA,"CCOC(=O)C1=C(C2=C(N=CN=C2S1)N)C","HWZSSWNTLPLHMF-UHFFFAOYSA-N",402994,NA,"PDBC36103","717467","Present",NA,NA
+"36104","Ethyl 4-amino-8-cyano-6-methyl-7-phenylpyrrolo[2,1-c][1,2,4]triazine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-amino-8-cyano-6-methyl-7-phenylpyrrolo[2,1-c][1,2,4]triazine-3-carboxylate",NA,"CCOC(=O)C1=C(N2C(=C(C(=C2N=N1)C#N)C3=CC=CC=C3)C)N","MFIUNBTYFAKQCM-UHFFFAOYSA-N",403962,NA,"PDBC36104","719733","Present",NA,NA
+"36105","Ethyl 4-aminobutyrate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl .gamma.-aminobutyrate hydrochloride",NA,"CCOC(=O)CCCN.Cl","CXVQSUBJMYZELD-UHFFFAOYSA-N",12649661,NA,"PDBC36105","40245","Present",NA,NA
+"36106","Ethyl 4-benzyl-5-oxo-2,6,6-triphenyl-4-azaspiro[2.3]hex-1-ene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-benzyl-5-oxo-2,6,6-triphenyl-4-azaspiro[2.3]hex-1-ene-1-carboxylate",NA,"CCOC(=O)C1=C(C12C(C(=O)N2CC3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","GZJNYEUKGUHGKM-UHFFFAOYSA-N",382155,NA,"PDBC36106","669602","Present",NA,NA
+"36107","Ethyl 4-bromo-5-(4-bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-bromo-5-(4-bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)C2=C(C(=NO2)C)Br)Br","BLEMAXQWYAHAIN-UHFFFAOYSA-N",393076,NA,"PDBC36107","694461","Present",NA,NA
+"36108","Ethyl 4-bromo-5-(4-bromo-3-methyl-isoxazol-5-yl)-1-methyl-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-bromo-5-(4-bromo-3-methyl-isoxazol-5-yl)-1-methyl-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1C)C2=C(C(=NO2)C)Br)Br","UUESWILOJVPSEC-UHFFFAOYSA-N",393292,NA,"PDBC36108","694957","Present",NA,NA
+"36109","Ethyl 4-bromo-5-(4-methyl-2-furyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-bromo-5-(4-methylfuran-2-yl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)C2=CC(=CO2)C)Br","UJQQRGSYLXKKCJ-UHFFFAOYSA-N",393092,NA,"PDBC36109","694476","Present",NA,NA
+"36110","Ethyl 4-bromo-5-oxo-3,4-dihydro-1H-benzo[cd]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benz[cd]indole-2-carboxylic acid, 4-bromo-1,3,4,5-tetrah...",NA,"CCOC(=O)C1=C2CC(C(=O)C3=C2C(=CC=C3)N1)Br","NOTGKWNERPTYSN-UHFFFAOYSA-N",328664,NA,"PDBC36110","308005","Present",NA,NA
+"36111","Ethyl 4-carbamimidoylsulfanyl-2-(dimethylamino)pyrimidine-5-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC163798",NA,"CCOC(=O)C1=CN=C(N=C1SC(=N)N)N(C)C.Cl","DLXMOJPFJHBOAE-UHFFFAOYSA-N",24194114,NA,"PDBC36111","163798","Present",NA,NA
+"36112","Ethyl 4-cyano-3-oxo-3,5-dihydropyrido[1,2-a]benzimidazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-cyano-3-oxo-3,5-dihydropyrido[1,2-a]benzimidazole-2-carboxylate",NA,"CCOC(=O)C1=CN2C3=CC=CC=C3NC2=C(C1=O)C#N","JZLDKBVESWQPPU-UHFFFAOYSA-N",371121,NA,"PDBC36112","645068","Present",NA,NA
+"36113","Ethyl 4-cyano-4-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3-methyl-4-phenylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-cyano-4-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3-methyl-4-phenylbutanoate",NA,"CCOC(=O)CC(C)C(C#N)(C1=CC=CC=C1)OP2(=O)N(C(C(O2)C3=CC=CC=C3)C)C","LUMRFKALJSYCDH-UHFFFAOYSA-N",400233,NA,"PDBC36113","711751","Present",NA,NA
+"36114","Ethyl 4-cyano-5-oxo-2-thioxo-3-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-cyano-5-oxo-2-thioxo-3-pyrrolidinecarboxylate",NA,"CCOC(=O)C1C(C(=O)NC1=S)C#N","GZKWJSCSZYCNDT-UHFFFAOYSA-N",3004057,NA,"PDBC36114","624863","Present",NA,NA
+"36115","Ethyl 4-ethyl-3-oxo-quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-ethyl-3-oxo-quinoxaline-2-carboxylate",NA,"CCN1C2=CC=CC=C2N=C(C1=O)C(=O)OCC","OQXPZNJRVQZVNS-UHFFFAOYSA-N",387921,NA,"PDBC36115","682226","Present",NA,NA
+"36116","Ethyl 4-hydroxy-1-methyl-5-oxo-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-hydroxy-1-methyl-5-oxo-2-pyrrolidinecarboxylate",NA,"CCOC(=O)C1CC(C(=O)N1C)O","ZHBUIPJNZSISBH-UHFFFAOYSA-N",389095,NA,"PDBC36116","684754","Present",NA,NA
+"36117","Ethyl 4-hydroxy-9-nitro-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-hydroxy-9-nitro-2-oxatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-3-carboxylate",NA,"CCOC(=O)C1C2(CCCC3=C(C=CC(=C32)O1)[N+](=O)[O-])O","AIZMJZINKYFYRF-UHFFFAOYSA-N",361610,NA,"PDBC36117","624795","Present",NA,NA
+"36118","Ethyl 4-hydroxybutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"999E100",NA,"CCOC(=O)CCCO","AYPJVXQBVHCUCJ-UHFFFAOYSA-N",357772,NA,"PDBC36118","617295","Present",NA,NA
+"36119","Ethyl 4-methoxy-1-methyl-3-phenyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-methoxy-1-methyl-3-phenyl-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=CN1C)OC)C2=CC=CC=C2","SBATTZGWYOMCBW-UHFFFAOYSA-N",378984,NA,"PDBC36119","662576","Present",NA,NA
+"36120","Ethyl 4-methyl-2-(phenylimino)-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-methyl-2-(phenylimino)-2,5-dihydro-1,3-thiazole-5-carboxylate",NA,"CCOC(=O)C1C(=NC(=NC2=CC=CC=C2)S1)C","XNVJJISCTSFQKL-UHFFFAOYSA-N",365858,NA,"PDBC36120","633933","Present",NA,NA
+"36121","Ethyl 4-methyl-2-oxo-6-phenyl-3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]-1,6-dihydropyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-methyl-2-oxo-6-phenyl-3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]-1,6-dihydropyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","AKMBOALNCLZYMQ-UHFFFAOYSA-N",370620,NA,"PDBC36121","643913","Present",NA,NA
+"36122","Ethyl 4-methyl-3-(1-phenylpyrrol-3-yl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-methyl-3-(1-phenylpyrrol-3-yl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=CN1)C)C2=CN(C=C2)C3=CC=CC=C3","ABZMDEXOGOKIDW-UHFFFAOYSA-N",390187,NA,"PDBC36122","687348","Present",NA,NA
+"36123","Ethyl 4-methyl-3-(4-phenylpyrrolo[1,2-a]quinoxalin-1-yl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-methyl-3-(4-phenylpyrrolo[1,2-a]quinoxalin-1-yl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=CN1)C)C2=CC=C3N2C4=CC=CC=C4N=C3C5=CC=CC=C5","ULOYISYHMMBKOH-UHFFFAOYSA-N",390189,NA,"PDBC36123","687350","Present",NA,NA
+"36124","Ethyl 4-oxo-1,3-diphenyl-2-thioxo-5-((3,4,5-trimethoxybenzoyl)oxy)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-1,3-diphenyl-2-sulfanylidene-5-(3,4,5-trimethoxybenzoyl)oxythieno[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC","ILPRSOWIQBUWDK-UHFFFAOYSA-N",383099,NA,"PDBC36124","671143","Present",NA,NA
+"36125","Ethyl 4-oxo-1,3-diphenyl-2-thioxo-6-((3,4,5-trimethoxybenzoyl)thio)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-1,3-diphenyl-2-thioxo-6-(3,4,5-trimethoxybenzoyl)sulfanyl-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC(=C(C(=C4)OC)OC)OC","AEJDQKJNUIAKPB-UHFFFAOYSA-N",383072,NA,"PDBC36125","671116","Present",NA,NA
+"36126","Ethyl 4-oxo-1,3-diphenyl-5-((2-thienylcarbonyl)oxy)-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-1,3-diphenyl-5-(thiophene-2-carbonyloxy)-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CS5","VRESZZRZYAKCQJ-UHFFFAOYSA-N",383101,NA,"PDBC36126","671145","Present",NA,NA
+"36127","Ethyl 4-oxo-1,3-diphenyl-6-((2-(1-piperidinyl)ethyl)thio)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine-5-carboxylic acid, hexahydro-4-oxo- 1,3-diphe...",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCCC4","QMTUMNZZJKUEFZ-UHFFFAOYSA-N",376034,NA,"PDBC36127","656433","Present",NA,NA
+"36128","Ethyl 4-oxo-1,3-diphenyl-6-((3-(1-piperidinyl)propyl)thio)-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-1,3-diphenyl-6-[3-(1-piperidyl)propylsulfanyl]-2-thioxo-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCCN4CCCCC4","MZTJFHYIAUDHQK-UHFFFAOYSA-N",376036,NA,"PDBC36128","656435","Present",NA,NA
+"36129","Ethyl 4-oxo-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-1,3-diphenyl-6-(2-pyrrolidin-1-ylethylsulfanyl)-2-sulfanylidenepyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCCC4","DXARGSBGLDYEJZ-UHFFFAOYSA-N",396733,NA,"PDBC36129","703443","Present",NA,NA
+"36130","Ethyl 4-oxo-1,3-diphenyl-6-[(E)-3-phenylprop-2-enoyl]sulfanyl-2-thioxo-pyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-1,3-diphenyl-6-[(E)-3-phenylprop-2-enoyl]sulfanyl-2-thioxo-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C=CC4=CC=CC=C4","DKVLNABQDFRCCF-VHEBQXMUSA-N",5909147,NA,"PDBC36130","671111","Present",NA,NA
+"36131","Ethyl 4-oxo-1-phenylcyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-phenylcyclohexan-4-one-1-carboxylate",NA,"CCOC(=O)C1(CCC(=O)CC1)C2=CC=CC=C2","SYBVWVIZANWJOR-UHFFFAOYSA-N",366551,NA,"PDBC36131","635173","Present",NA,NA
+"36132","Ethyl 4-oxo-1H-1,7-phenanthroline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-1H-1,7-phenanthroline-3-carboxylate",NA,"CCOC(=O)C1=CN=C2C3=CC=CNC3=CC=C2C1=O","DRTVKIRODYRCTP-UHFFFAOYSA-N",367726,NA,"PDBC36132","637663","Present",NA,NA
+"36133","Ethyl 4-oxo-2-(propylamino)-4,5-dihydro-3-furancarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-2-(propylamino)-4,5-dihydro-3-furancarboxylate",NA,"CCCNC1=C(C(=O)CO1)C(=O)OCC","WYGKJNWUWMHBLG-UHFFFAOYSA-N",366155,NA,"PDBC36133","634482","Present",NA,NA
+"36134","Ethyl 4-oxo-2-phenyl-1H-quinoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-0089006",NA,"CCOC(=O)C1=C(NC2=CC=CC=C2C1=O)C3=CC=CC=C3","KAXJGTFTNGYKFK-UHFFFAOYSA-N",289858,NA,"PDBC36134","152205","Present",NA,NA
+"36135","Ethyl 4-oxo-3-phenyl-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-3-phenyl-[1,2,3,5]tetrazino[5,4-a]indole-10-carboxylate",NA,"CCOC(=O)C1=C2N=NN(C(=O)N2C3=CC=CC=C31)C4=CC=CC=C4","MVBRMPHSRUYJTQ-UHFFFAOYSA-N",396113,NA,"PDBC36135","701661","Present",NA,NA
+"36136","Ethyl 4-oxo-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-4H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-3-carboxylate",NA,"CCOC(=O)C1=CN=C2C=C3C=CC=CC=C3N2C1=O","UKQJCROHRDRMAZ-UHFFFAOYSA-N",363760,NA,"PDBC36136","628952","Present",NA,NA
+"36137","Ethyl 4-oxo-8-phenylsulfanyl-1H-1,7-naphthyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-oxo-8-phenylsulfanyl-1H-1,7-naphthyridine-3-carboxylate",NA,"CCOC(=O)C1=CNC2=C(C1=O)C=CN=C2SC3=CC=CC=C3","WDTQPMXCFFXDQT-UHFFFAOYSA-N",394843,NA,"PDBC36137","698695","Present",NA,NA
+"36138","Ethyl 4-phenyl-2-(2-phenylhydrazino)-3-quinolinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-phenyl-2-(2-phenylhydrazino)-3-quinolinecarboxylate",NA,"CCOC(=O)C1=C(C2=CC=CC=C2N=C1NNC3=CC=CC=C3)C4=CC=CC=C4","IPESHNTZHMXLMX-UHFFFAOYSA-N",372525,NA,"PDBC36138","647659","Present",NA,NA
+"36139","Ethyl 4-phenyl-2-(piperazin-1-ylmethyl)quinoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-phenyl-2-(piperazin-1-ylmethyl)quinoline-3-carboxylate",NA,"CCOC(=O)C1=C(C2=CC=CC=C2N=C1CN3CCNCC3)C4=CC=CC=C4","AAMDJJYQUDCDDC-UHFFFAOYSA-N",402860,NA,"PDBC36139","717124","Present",NA,NA
+"36140","Ethyl 4-phenyl-4-azepanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-phenylazacyclohept-4-ylcarboxylate hydrate [1:1]",NA,"CCOC(=O)C1(CCCNCC1)C2=CC=CC=C2","VUAIRCAKYUJYJY-UHFFFAOYSA-N",366552,NA,"PDBC36140","635174","Present",NA,NA
+"36141","Ethyl 5,5-dioxophenothiazine-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 10H-phenothiazine-10-carboxylate 5,5-dioxide",NA,"CCOC(=O)N1C2=CC=CC=C2S(=O)(=O)C3=CC=CC=C31","DHKCFIVYDMEEST-UHFFFAOYSA-N",223620,NA,"PDBC36141","11383","Present",NA,NA
+"36142","Ethyl 5,6-diacetyl-4-hydroxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5,6-diacetyl-4-hydroxy-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,"CCOC(=O)C1=CC2=C3CCN(C3=C(C(=C2N1)O)C(=O)C)C(=O)C","AQWGSVAKLBKKKV-UHFFFAOYSA-N",393073,NA,"PDBC36142","694458","Present",NA,NA
+"36143","Ethyl 5,6-dibromo-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)tetrahydrofuran-2-yl]-6-methyl-2-oxo-4-phenyl-hexahydropyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5,6-dibromo-1-[3,4-dibenzoyloxy-5-(benzoyloxymethyl)oxolan-2-yl]-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate",NA,"CCOC(=O)C1(C(NC(=O)N(C1(C)Br)C2C(C(C(O2)COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)C6=CC=CC=C6)Br","DFRSBNUJYYIPAU-UHFFFAOYSA-N",370619,NA,"PDBC36143","643912","Present",NA,NA
+"36144","Ethyl 5,6-dimethoxy-7-oxo-3,7,8,8a-tetrahydrocyclopenta[ij]isoquinoline-1(2H)-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5,6-dimethoxy-7-oxo-3,7,8,8a-tetrahydrocyclopenta[ij]isoquinoline-1(2H)-carboxylate",NA,"CCOC(=O)N1CCC2=CC(=C(C3=C2C1CC3=O)OC)OC","JGYRDCDLJVCFQP-UHFFFAOYSA-N",363752,NA,"PDBC36144","628944","Present",NA,NA
+"36145","Ethyl 5,6-dimethyl-2-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]imidazole-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrolo[1,2-a]imidazole-7-carboxylic acid, 2,3-dihydr...",NA,"CCOC(=O)C1=C2NC(=O)CN2C(=C1C)C","XVXITRAKQOVWKD-UHFFFAOYSA-N",361741,NA,"PDBC36145","624983","Present",NA,NA
+"36146","Ethyl 5,6-dimethyl-7,12-dioxo-1,4,6,7,12,12b-hexahydronaphtho[2,3-f]isoquinoline-3(2H)-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5,6-dimethyl-7,12-dioxo-1,4,6,7,12,12b-hexahydronaphtho[2,3-f]isoquinoline-3(2H)-carboxylate",NA,"CCOC(=O)N1CCC2C(=C(C(C3=C2C(=O)C4=CC=CC=C4C3=O)C)C)C1","CAENHLBZXKEJNX-UHFFFAOYSA-N",378545,NA,"PDBC36146","661179","Present",NA,NA
+"36147","Ethyl 5,6-diphenyl-3-((triphenylphosphoranylidene)amino)-4-pyridazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5,6-diphenyl-3-((triphenylphosphoranylidene)amino)-4-pyridazinecarboxylate",NA,"CCOC(=O)C1=C(C(=NN=C1N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","NTSPCRVUULMDBC-UHFFFAOYSA-N",381182,NA,"PDBC36147","667513","Present",NA,NA
+"36148","Ethyl 5,7-difluoro-3-hydroxy-2-quinoxalinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5,7-difluoro-3-hydroxy-2-quinoxalinecarboxylate",NA,"CCOC(=O)C1=NC2=C(C(=CC(=C2)F)F)NC1=O","USNWWZHJBULHHQ-UHFFFAOYSA-N",387927,NA,"PDBC36148","682232","Present",NA,NA
+"36149","Ethyl 5,8-dimethoxy-4-(propionyloxy)-2-naphthoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5,8-dimethoxy-4-(propionyloxy)-2-naphthoate",NA,"CCC(=O)OC1=CC(=CC2=C(C=CC(=C12)OC)OC)C(=O)OCC","HRCNKNSXLAZRTK-UHFFFAOYSA-N",361847,NA,"PDBC36149","625163","Present",NA,NA
+"36150","Ethyl 5-((2,4-dichlorobenzoyl)oxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(2,4-dichlorobenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=C(C=C(C=C5)Cl)Cl","QBSTVHYRJSUECO-UHFFFAOYSA-N",383097,NA,"PDBC36150","671141","Present",NA,NA
+"36151","Ethyl 5-((4-methoxybenzoyl)oxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(4-methoxybenzoyl)oxy-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)OC","YZUXLGUFUCNNCT-UHFFFAOYSA-N",383098,NA,"PDBC36151","671142","Present",NA,NA
+"36152","Ethyl 5-((acetyloxy)methyl)-3,4-bis(3-(acetyloxy)propyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-((acetyloxy)methyl)-3,4-bis(3-(acetyloxy)propyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=C(C(=C(N1)COC(=O)C)CCCOC(=O)C)CCCOC(=O)C","XXQYUBUIJFXKDD-UHFFFAOYSA-N",361818,NA,"PDBC36152","625135","Present",NA,NA
+"36153","Ethyl 5-((ethoxycarbonyl)oxy)-10H-thieno[2,3-a]carbazole-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-((ethoxycarbonyl)oxy)-10H-thieno[2,3-a]carbazole-10-carboxylate",NA,"CCOC(=O)N1C2=CC=CC=C2C3=C(C=C4C=CSC4=C31)OC(=O)OCC","VERUBFLYWIDDSU-UHFFFAOYSA-N",380504,NA,"PDBC36153","666119","Present",NA,NA
+"36154","Ethyl 5-(2,4-dimethylanilino)-4-(dimethylhydrazono)-3-(3-hydroxy-2-quinoxalinyl)-2,5-dioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(2,4-dimethylanilino)-4-(dimethylhydrazono)-3-(3-hydroxy-2-quinoxalinyl)-2,5-dioxopentanoate",NA,"CCOC(=O)C(=O)C(C1=NC2=CC=CC=C2NC1=O)C(=NN(C)C)C(=O)NC3=C(C=C(C=C3)C)C","IKKCDXPZMQQPIR-ANYBSYGZSA-N",9571362,NA,"PDBC36154","648622","Present",NA,NA
+"36155","Ethyl 5-(2-chlorophenyl)-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-(2-chlorophenyl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC=CC=C4Cl","LLGWZMDRBOYEMS-UHFFFAOYSA-N",394379,NA,"PDBC36155","697779","Present",NA,NA
+"36156","Ethyl 5-(2-diazoacetyl)-4-(1-ethyl-2-thioxo-pyrrolidin-3-yl)-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(2-diazoacetyl)-4-(1-ethyl-2-thioxo-pyrrolidin-3-yl)-1H-pyrrole-3-carboxylate",NA,"CCN1CCC(C1=S)C2=C(NC=C2C(=O)OCC)C(=O)C=[N+]=[N-]","WFSPLTJNLUDLDL-UHFFFAOYSA-N",392926,NA,"PDBC36156","694109","Present",NA,NA
+"36157","Ethyl 5-(2-furoyloxy)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(furan-2-carbonyloxy)-4-oxo-1,3-diphenyl-2-thioxo-thieno[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C5=CC=CO5","CSRXZQOWDHSBJS-UHFFFAOYSA-N",383100,NA,"PDBC36157","671144","Present",NA,NA
+"36158","Ethyl 5-(2-isopropylidenehydrazino)thiadiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436881",NA,"CCOC(=O)C1=C(SN=N1)NN=C(C)C","QXGYMHPGHZGOCR-UHFFFAOYSA-N",388856,NA,"PDBC36158","684050","Present",NA,NA
+"36159","Ethyl 5-(2-tert-butoxycarbonyl-3-oxo-butanoyl)-1-methyl-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(2-tert-butoxycarbonyl-3-oxo-butanoyl)-1-methyl-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC=C(N1C)C(=O)C(C(=O)C)C(=O)OC(C)(C)C","JZMCKLIIENROBM-UHFFFAOYSA-N",393295,NA,"PDBC36159","694960","Present",NA,NA
+"36160","Ethyl 5-(2-thienyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(2-thienyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC=C(N1)C2=CC=CS2","HNNDTQISHZONEW-UHFFFAOYSA-N",384453,NA,"PDBC36160","674233","Present",NA,NA
+"36161","Ethyl 5-(3-hydroxy-2-butenoyl)-4-(2-oxo-1-phenyl-3-pyrrolidinyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(3-hydroxy-2-butenoyl)-4-(2-oxo-1-phenyl-3-pyrrolidinyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)C(=CC(=O)C)O)C2CCN(C2=O)C3=CC=CC=C3","MFCBKUHIWKBZTP-WQRHYEAKSA-N",5466510,NA,"PDBC36161","694961","Present",NA,NA
+"36162","Ethyl 5-(3-methylisoxazol-5-yl)-4-(5-oxo-1,2-dihydropyrrol-4-yl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(3-methylisoxazol-5-yl)-4-(5-oxo-1,2-dihydropyrrol-4-yl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)C2=CC(=NO2)C)C3=CCNC3=O","JEERFBJPFGXBRJ-UHFFFAOYSA-N",393305,NA,"PDBC36162","694970","Present",NA,NA
+"36163","Ethyl 5-(3-methylisoxazol-5-yl)-4-(5-oxo-1-propyl-2H-pyrrol-4-yl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(3-methylisoxazol-5-yl)-4-(5-oxo-1-propyl-2H-pyrrol-4-yl)-1H-pyrrole-2-carboxylate",NA,"CCCN1CC=C(C1=O)C2=C(NC(=C2)C(=O)OCC)C3=CC(=NO3)C","DSMGOPOXNOTSEE-UHFFFAOYSA-N",393078,NA,"PDBC36163","694463","Present",NA,NA
+"36164","Ethyl 5-(4-bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(4-bromo-3-methyl-5-isoxazolyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC=C(N1)C2=C(C(=NO2)C)Br","ALVYVDSAWCZHQX-UHFFFAOYSA-N",392929,NA,"PDBC36164","694111","Present",NA,NA
+"36165","Ethyl 5-(4-bromophenyl)-7-(methylthio)-5H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(4-bromophenyl)-7-(methylsulfanyl)-5h-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(C=N2)C4=CC=C(C=C4)Br","YYEPXBDQPFQOJQ-UHFFFAOYSA-N",390762,NA,"PDBC36165","688525","Present",NA,NA
+"36166","Ethyl 5-(4-chlorophenyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LPOQYIAWZPQUSJ-UHFFFAOYSA-N",NA,"CCOC(=O)C1=CC=C(N1)C2=CC=C(C=C2)Cl","LPOQYIAWZPQUSJ-UHFFFAOYSA-N",378974,NA,"PDBC36166","662566","Present",NA,NA
+"36167","Ethyl 5-(4-fluoroanilino)-3-(1-pyrrolidinyl)-4-isothiazolecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(4-fluoroanilino)-3-(1-pyrrolidinyl)-4-isothiazolecarboxylate",NA,"CCOC(=O)C1=C(SN=C1N2CCCC2)NC3=CC=C(C=C3)F","BQSMNSPJNFTTNR-UHFFFAOYSA-N",385019,NA,"PDBC36167","675872","Present",NA,NA
+"36168","Ethyl 5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC=C(N1)C2=NNC(=C2)C","LTXIQZPMMHEGEU-UHFFFAOYSA-N",392535,NA,"PDBC36168","693051","Present",NA,NA
+"36169","Ethyl 5-(benzylimino)-4-methyl-4,5-dihydro-1,3,4-thiadiazol-2-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(benzylimino)-4-methyl-4,5-dihydro-1,3,4-thiadiazol-2-ylcarbamate",NA,"CCOC(=O)NC1=NN(C(=NCC2=CC=CC=C2)S1)C","OMRSRBCUZUIUCC-UHFFFAOYSA-N",393158,NA,"PDBC36169","694570","Present",NA,NA
+"36170","Ethyl 5-(benzyloxy)-1H-indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B-2000",NA,"CCOC(=O)C1=CC2=C(N1)C=CC(=C2)OCC3=CC=CC=C3","DCIFXYFKVKDOLL-UHFFFAOYSA-N",95721,NA,"PDBC36170","30931","Present",NA,NA
+"36171","Ethyl 5-(cyano(2-pyrrolidinylidene)acetyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(cyano(2-pyrrolidinylidene)acetyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC=C(N1)C(=O)C(=C2CCCN2)C#N","HJJJQZQMCBSLKR-MDZDMXLPSA-N",3005354,NA,"PDBC36171","694471","Present",NA,NA
+"36172","Ethyl 5-(diacetylamino)-1-benzothiophene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(diacetylamino)benzothiophene-2-carboxylate",NA,"CCOC(=O)C1=CC2=C(S1)C=CC(=C2)N(C(=O)C)C(=O)C","YWCWYJPBSQOIBT-UHFFFAOYSA-N",396973,NA,"PDBC36172","704210","Present",NA,NA
+"36173","Ethyl 5-(dibutylamino)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(dibutylamino)-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine-1-carboxylate",NA,"CCCCN(CCCC)C1=NC2=CC=CC=C2N3C(=NN=C3C(=O)OCC)C1","LNAVGQKMJZTDOT-UHFFFAOYSA-N",383767,NA,"PDBC36173","672211","Present",NA,NA
+"36174","Ethyl 5-(dichloromethylene)-2,2-diphenyl-2,5-dihydro-1,3-oxazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(dichloromethylene)-2,2-diphenyl-2,5-dihydro-1,3-oxazole-4-carboxylate",NA,"CCOC(=O)C1=NC(OC1=C(Cl)Cl)(C2=CC=CC=C2)C3=CC=CC=C3","PTTHNFORTJLYKS-UHFFFAOYSA-N",371339,NA,"PDBC36174","645528","Present",NA,NA
+"36175","Ethyl 5-(dimethylamino)-3H-1,2,4-dithiazol-3-ylidenecarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(dimethylamino)-3H-1,2,4-dithiazol-3-ylidenecarbamate",NA,"CCOC(=O)N=C1N=C(SS1)N(C)C","SUDCFPPAPCRBTM-UITAMQMPSA-N",9569875,NA,"PDBC36175","622655","Present",NA,NA
+"36176","Ethyl 5-(ethoxycarbonyl)-1-methyl-4-oxo-2,6-diphenylpiperidine-3-carboxylate, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(ethoxycarbonyl)-1-methyl-4-oxo-2,6-diphenylpiperidine-3-carboxylate, chloride",NA,"CCOC(=O)C1C(N(C(C(C1=O)C(=O)OCC)C2=CC=CC=C2)C)C3=CC=CC=C3.Cl","QHXFSXCZYXQOSM-UHFFFAOYSA-N",18527349,NA,"PDBC36176","49899","Present",NA,NA
+"36177","Ethyl 5-(heptylthio)imidazo[1,5-a]quinazoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(heptylthio)imidazo[1,5-a]quinazoline-3-carboxylate",NA,"CCCCCCCSC1=NC2=C(N=CN2C3=CC=CC=C31)C(=O)OCC","IISXBSPAITYLJK-UHFFFAOYSA-N",374754,NA,"PDBC36177","652998","Present",NA,NA
+"36178","Ethyl 5-(hydrazinecarbonylamino)thiadiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(hydrazinecarbonylamino)thiadiazole-4-carboxylate",NA,"CCOC(=O)C1=C(SN=N1)NC(=O)NN","ROIJESIVERBYQT-UHFFFAOYSA-N",388865,NA,"PDBC36178","684058","Present",NA,NA
+"36179","Ethyl 5-(imidazole-1-carbonyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(imidazole-1-carbonyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC=C(N1)C(=O)N2C=CN=C2","SRFZPIXMFUEFFG-UHFFFAOYSA-N",393283,NA,"PDBC36179","694948","Present",NA,NA
+"36180","Ethyl 5-(tert-butoxycarbonylamino)-3-oxo-1,4,6,7-tetrahydro-2,1-benzoxazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(tert-butoxycarbonylamino)-3-oxo-1,4,6,7-tetrahydro-2,1-benzoxazole-5-carboxylate",NA,"CCOC(=O)C1(CCC2=C(C1)C(=O)ON2)NC(=O)OC(C)(C)C","DKOPAEJFNARVGC-UHFFFAOYSA-N",393586,NA,"PDBC36180","695657","Present",NA,NA
+"36181","Ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-1,2-dimethylpyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-1,2-dimethylpyrrole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=C1)C=CC(=CC(=O)OC)C)C)C","KKXKUNPOYVZWKX-MFDVASPDSA-N",5388763,NA,"PDBC36181","638468","Present",NA,NA
+"36182","Ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-2-methylfuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(1E,3E)-5-methoxy-3-methyl-5-oxopenta-1,3-dienyl]-2-methylfuran-3-carboxylate",NA,"CCOC(=O)C1=C(OC(=C1)C=CC(=CC(=O)OC)C)C","ZGNJWBNDXQQTEM-LQPGMRSMSA-N",5388758,NA,"PDBC36182","638463","Present",NA,NA
+"36183","Ethyl 5-[(2,6-dichlorophenyl)-[5-ethoxycarbonyl-4-hydroxy-6-(4-methylpiperazin-1-yl)-2-oxo-1H-pyridin-3-yl]methyl]-4-hydroxy-2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(2,6-dichlorophenyl)-[5-ethoxycarbonyl-4-hydroxy-6-(4-methylpiperazin-1-yl)-2-oxo-1H-pyridin-3-yl]methyl]-4-hydroxy-2-(4-methylpiperazin-1-yl)-6-oxo-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(C=CC=C2Cl)Cl)C3=C(C(=C(NC3=O)N4CCN(CC4)C)C(=O)OCC)O)N5CCN(CC5)C","WKIWQXWKYRFBMU-UHFFFAOYSA-N",54695418,NA,"PDBC36183","722829","Present",NA,NA
+"36184","Ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)methyl]-1H-indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(2-ethoxycarbonyl-1H-indol-5-yl)methyl]-1H-indole-2-carboxylate",NA,"CCOC(=O)C1=CC2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(=C4)C(=O)OCC","RBVJUIQMEHTLLD-UHFFFAOYSA-N",389555,NA,"PDBC36184","685860","Present",NA,NA
+"36185","Ethyl 5-[(2E)-2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetyl]-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(2E)-2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetyl]-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC=C(N1)C(=O)C(=C2CCCN2C)C#N","QXVWJDXOTBOIAS-JLHYYAGUSA-N",3005358,NA,"PDBC36185","694952","Present",NA,NA
+"36186","Ethyl 5-[(2E)-2-cyano-2-pyrrolidin-2-ylideneacetyl]-1-methylpyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(2E)-2-cyano-2-pyrrolidin-2-ylideneacetyl]-1-methylpyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC=C(N1C)C(=O)C(=C2CCCN2)C#N","ILTZUNCDJGOAKU-ZHACJKMWSA-N",5469963,NA,"PDBC36186","694955","Present",NA,NA
+"36187","Ethyl 5-[(4-chlorophenyl)carbamoylamino]thiadiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(4-chlorophenyl)carbamoylamino]thiadiazole-4-carboxylate",NA,"CCOC(=O)C1=C(SN=N1)NC(=O)NC2=CC=C(C=C2)Cl","RYNTZNMHGGQIEW-UHFFFAOYSA-N",388590,NA,"PDBC36187","683600","Present",NA,NA
+"36188","Ethyl 5-[(4-dimethylaminophenyl)-(5-ethoxycarbonyl-2,4-dihydroxy-6-morpholino-3-pyridyl)methyl]-4,6-dihydroxy-2-morpholino-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[[4-(dimethylamino)phenyl]-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=C(C=C2)N(C)C)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","BLTZPOLQKQUFNE-UHFFFAOYSA-N",54688718,NA,"PDBC36188","700484","Present",NA,NA
+"36189","Ethyl 5-[(5-ethoxycarbonyl-2,4-dihydroxy-6-morpholino-3-pyridyl)-(2-furyl)methyl]-4,6-dihydroxy-2-morpholino-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-(furan-2-yl)methyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=CO2)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","QYTWAIDUXIOUBP-UHFFFAOYSA-N",54688717,NA,"PDBC36189","700483","Present",NA,NA
+"36190","Ethyl 5-[(5-ethoxycarbonyl-2,4-dihydroxy-6-morpholino-3-pyridyl)-(2-thienyl)methyl]-4,6-dihydroxy-2-morpholino-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=CS2)C3=C(C(=C(NC3=O)N4CCOCC4)C(=O)OCC)O)N5CCOCC5","OOBMPWCJYFJYGN-UHFFFAOYSA-N",54688716,NA,"PDBC36190","700482","Present",NA,NA
+"36191","Ethyl 5-[(5-ethoxycarbonyl-2,4-dihydroxy-6-pyrrolidin-1-yl-3-pyridyl)-(2-furyl)methyl]-4,6-dihydroxy-2-pyrrolidin-1-yl-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-(furan-2-yl)methyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=CO2)C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5","HRHXYRQXAVXSOM-UHFFFAOYSA-N",54687864,NA,"PDBC36191","700480","Present",NA,NA
+"36192","Ethyl 5-[(5-ethoxycarbonyl-2,4-dihydroxy-6-pyrrolidin-1-yl-3-pyridyl)-(2-thienyl)methyl]-4,6-dihydroxy-2-pyrrolidin-1-yl-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(5-ethoxycarbonyl-4-hydroxy-2-oxo-6-pyrrolidin-1-yl-1H-pyridin-3-yl)-thiophen-2-ylmethyl]-4-hydroxy-6-oxo-2-pyrrolidin-1-yl-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=CC=CS2)C3=C(C(=C(NC3=O)N4CCCC4)C(=O)OCC)O)N5CCCC5","RNJHJZYZJAKPSG-UHFFFAOYSA-N",54688714,NA,"PDBC36192","700479","Present",NA,NA
+"36193","Ethyl 5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-3-methyl-1,2-oxazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(E)-[bis(2-hydroxyethyl)amino]diazenyl]-3-methyl-1,2-oxazole-4-carboxylate",NA,"CCOC(=O)C1=C(ON=C1C)N=NN(CCO)CCO","OYOHUMOSTXALBF-WYMLVPIESA-N",5471238,NA,"PDBC36193","709901","Present",NA,NA
+"36194","Ethyl 5-[(Z)-3-aminobut-2-enoyl]-4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-yl]-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[(Z)-3-aminobut-2-enoyl]-4-[1-(2-methylbutyl)-2-sulfanylidenepyrrolidin-3-yl]-1H-pyrrole-2-carboxylate",NA,"CCC(C)CN1CCC(C1=S)C2=C(NC(=C2)C(=O)OCC)C(=O)C=C(C)N","XGXCNPTUDNINHQ-LCYFTJDESA-N",5469929,NA,"PDBC36194","694459","Present",NA,NA
+"36195","Ethyl 5-[1-(5-ethoxycarbonyl-2,4-dihydroxy-6-morpholino-3-pyridyl)-2-methyl-propyl]-4,6-dihydroxy-2-morpholino-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[1-(5-ethoxycarbonyl-4-hydroxy-6-morpholin-4-yl-2-oxo-1H-pyridin-3-yl)-2-methylpropyl]-4-hydroxy-2-morpholin-4-yl-6-oxo-1H-pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)C(=C1O)C(C2=C(C(=C(NC2=O)N3CCOCC3)C(=O)OCC)O)C(C)C)N4CCOCC4","RAZGLWLNDLGXPW-UHFFFAOYSA-N",54688715,NA,"PDBC36195","700481","Present",NA,NA
+"36196","Ethyl 5-[2-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxobutanoyl]-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(2-tert-butoxycarbonyl-3-oxo-butanoyl)-1h-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC=C(N1)C(=O)C(C(=O)C)C(=O)OC(C)(C)C","GEYCSZOCARDDNG-UHFFFAOYSA-N",393284,NA,"PDBC36196","694949","Present",NA,NA
+"36197","Ethyl 5-[3-methoxy-2-[[2-[2-(3-methylbut-2-enoyl)-1H-indol-3-yl]acetyl]amino]-3-oxopropyl]imidazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-[3-methoxy-2-[[2-[2-(3-methylbut-2-enoyl)-1H-indol-3-yl]acetyl]amino]-3-oxopropyl]imidazole-1-carboxylate",NA,"CCOC(=O)N1C=NC=C1CC(C(=O)OC)NC(=O)CC2=C(NC3=CC=CC=C32)C(=O)C=C(C)C","PUABESCNNBSDMO-UHFFFAOYSA-N",398079,NA,"PDBC36197","707444","Present",NA,NA
+"36198","Ethyl 5-acetamido-4-nitro-1-benzothiophene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-acetamido-4-nitro-benzothiophene-2-carboxylate",NA,"CCOC(=O)C1=CC2=C(S1)C=CC(=C2[N+](=O)[O-])NC(=O)C","DJWVCDGXXXDBMO-UHFFFAOYSA-N",396971,NA,"PDBC36198","704208","Present",NA,NA
+"36199","Ethyl 5-acetyl-2-phenyl-6H-1,3-thiazine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-acetyl-2-phenyl-6H-1,3-thiazine-4-carboxylate",NA,"CCOC(=O)C1=C(CSC(=N1)C2=CC=CC=C2)C(=O)C","BHXYIJHCGWYOQN-UHFFFAOYSA-N",361899,NA,"PDBC36199","625266","Present",NA,NA
+"36200","Ethyl 5-acetyl-4-(4-nitrobenzoyl)-1H-indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-acetyl-4-(4-nitrobenzoyl)-1H-indole-2-carboxylate",NA,"CCOC(=O)C1=CC2=C(N1)C=CC(=C2C(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C","WRARGOMTFVQXBJ-UHFFFAOYSA-N",389560,NA,"PDBC36200","685865","Present",NA,NA
+"36201","Ethyl 5-acetyl-4-hydroxy-6-(2-methylbutyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-acetyl-4-hydroxy-6-(2-methylbutyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,"CCC(C)CN1CCC2=C3C=C(NC3=C(C(=C21)C(=O)C)O)C(=O)OCC","HYFRXVTYVNFIKK-UHFFFAOYSA-N",393088,NA,"PDBC36201","694473","Present",NA,NA
+"36202","Ethyl 5-acetyl-4-methoxy-6-propanoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-acetyl-4-methoxy-6-propanoyl-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,"CCC(=O)N1CCC2=C3C=C(NC3=C(C(=C21)C(=O)C)OC)C(=O)OCC","UXTVUOTZRNUCSV-UHFFFAOYSA-N",393083,NA,"PDBC36202","694468","Present",NA,NA
+"36203","Ethyl 5-amino-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-amino-1-[8-(trifluoromethyl)quinolin-4-yl]pyrazole-4-carboxylate",NA,"CCOC(=O)C1=C(N(N=C1)C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)N","WUAXVMHTWIQVRZ-UHFFFAOYSA-N",45027939,NA,"PDBC36203","740235","Present",NA,NA
+"36204","Ethyl 5-amino-2-methylsulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-amino-2-methylsulfanyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)N3CCCCC3)N","RBACGIUXMJCBBM-UHFFFAOYSA-N",394396,NA,"PDBC36204","697796","Present",NA,NA
+"36205","Ethyl 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-amino-3-oxo-2,4,6,7-tetrahydro-1H-indazole-5-carboxylate",NA,"CCOC(=O)C1(CCC2=C(C1)C(=O)NN2)N","ZTHZEYRQMZGQEG-UHFFFAOYSA-N",393585,NA,"PDBC36205","695656","Present",NA,NA
+"36206","Ethyl 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-amino-4-(1,3-benzodioxol-5-ylamino)-2-methylsulfanyl-thieno[5,4-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCO4)N","UYZJXIZAGGHRRD-UHFFFAOYSA-N",399953,NA,"PDBC36206","711105","Present",NA,NA
+"36207","Ethyl 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-amino-4-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCCO4)N","MEKIPALSNWAOLJ-UHFFFAOYSA-N",399954,NA,"PDBC36207","711106","Present",NA,NA
+"36208","Ethyl 5-amino-4-(2-chloroanilino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-amino-4-(2-chloroanilino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(N1)N=C(N=C2NC3=CC=CC=C3Cl)SC)N","BTBMMJOSJLJUCD-UHFFFAOYSA-N",394392,NA,"PDBC36208","697792","Present",NA,NA
+"36209","Ethyl 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-amino-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC4=C(C=C3)OCCCO4)N","VSYTWBHYFFTCIQ-UHFFFAOYSA-N",399955,NA,"PDBC36209","711107","Present",NA,NA
+"36210","Ethyl 5-amino-4-(3,4-dimethoxyanilino)-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-amino-4-[(3,4-dimethoxyphenyl)amino]-2-methylsulfanyl-thieno[5,4-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(N=C(N=C2S1)SC)NC3=CC(=C(C=C3)OC)OC)N","VHAXOPHGDIGCBF-UHFFFAOYSA-N",399947,NA,"PDBC36210","711099","Present",NA,NA
+"36211","Ethyl 5-amino-4-(methylamino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-amino-4-(methylamino)-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(N1)N=C(N=C2NC)SC)N","TXKCIIHZDFAGFZ-UHFFFAOYSA-N",394391,NA,"PDBC36211","697791","Present",NA,NA
+"36212","Ethyl 5-amino-4-nitro-1-benzothiophene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-5-amino-4-nitro-1-benzothiophen-2-carboxylat",NA,"CCOC(=O)C1=CC2=C(S1)C=CC(=C2[N+](=O)[O-])N","AFASMHIECIHLHN-UHFFFAOYSA-N",396972,NA,"PDBC36212","704209","Present",NA,NA
+"36213","Ethyl 5-amino-9H-pyrido[3,4-b]indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-amino-9H-pyrido[3,4-b]indole-3-carboxylate",NA,"CCOC(=O)C1=NC=C2C(=C1)C3=C(C=CC=C3N2)N","MTMKKQZHXHWHCI-UHFFFAOYSA-N",365583,NA,"PDBC36213","633382","Present",NA,NA
+"36214","Ethyl 5-benzoyl-4-phenyl-4,5-dihydro-1H-pyrazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazole-3-carboxylic acid, 5-benzoyl-4,5-dihydro- 4-...",NA,"CCOC(=O)C1=NNC(C1C2=CC=CC=C2)C(=O)C3=CC=CC=C3","QMURMMKDJQPFOC-UHFFFAOYSA-N",386876,NA,"PDBC36214","679716","Present",NA,NA
+"36215","Ethyl 5-chloro-1H-1,2,3-triazol-4-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436973",NA,"CCOC(=O)NC1=NNN=C1Cl","KZXRUNXKJCLDLN-UHFFFAOYSA-N",388846,NA,"PDBC36215","684040","Present",NA,NA
+"36216","Ethyl 5-chloro-2-hydroxypyrido[2,3-g]quinoxaline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-chloro-2-hydroxypyrido[2,3-g]quinoxaline-3-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C3C=CC=NC3=C2Cl)NC1=O","IPWNOTBDUSNUBQ-UHFFFAOYSA-N",391197,NA,"PDBC36216","690030","Present",NA,NA
+"36217","Ethyl 5-chloro-7-oxocyclopenta[b]pyridine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-chloro-7-oxo-7h-cyclopenta[b]pyridine-6-carboxylate",NA,"CCOC(=O)C1=C(C2=C(C1=O)N=CC=C2)Cl","MCQYZVDWCVWSDM-UHFFFAOYSA-N",403405,NA,"PDBC36217","718206","Present",NA,NA
+"36218","Ethyl 5-cyano-2-hydroxy-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-cyano-2-hydroxy-6-oxo-1-[(E)-1-pyridin-4-ylethylideneamino]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=O)C(=C1)C#N)N=C(C)C2=CC=NC=C2)O","CSGRTUVHOQHXAE-VXLYETTFSA-N",135525522,NA,"PDBC36218","734787","Present",NA,NA
+"36219","Ethyl 5-cyano-2-methyl-4-(1-naphthyl)-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-cyano-2-methyl-4-naphthalen-1-yl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=CC3=CC=CC=C32)C#N)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","VEHGZWVRQJUION-UHFFFAOYSA-N",381203,NA,"PDBC36219","667535","Present",NA,NA
+"36220","Ethyl 5-cyano-2-thiophen-3-yl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-cyano-2-(3-thienyl)-1h-pyrrole-3-carboxylate",NA,"CCOC(=O)C1=C(NC(=C1)C#N)C2=CSC=C2","JFFCQHWBNOXQCT-UHFFFAOYSA-N",398328,NA,"PDBC36220","708047","Present",NA,NA
+"36221","Ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-cyano-4-(3,4-dimethoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazol-6-ylimidoformate",NA,"CCOC=NC1=C(C(C2=C(O1)N(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C#N","VOXLHSVVVNMELG-BIZUNTBRSA-N",9571629,NA,"PDBC36221","691417","Present",NA,NA
+"36222","Ethyl 5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699178///NSC699184",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)OC)O)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","DQTQKTXDXCJSGT-UHFFFAOYSA-N",395021,NA,"PDBC36222","699178///699184","Present",NA,NA
+"36223","Ethyl 5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-cyano-4-(3-hydroxy-4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)OC)O)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","CYDULLCXXMATIE-UHFFFAOYSA-N",395025,NA,"PDBC36223","699186","Present",NA,NA
+"36224","Ethyl 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699179///NSC699180",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)O)OC)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","LNNJQSCRAODWJD-UHFFFAOYSA-N",395022,NA,"PDBC36224","699179///699180","Present",NA,NA
+"36225","Ethyl 5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699185///NSC699187",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)O)OC)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","OQGSILSKQFBTDG-UHFFFAOYSA-N",395024,NA,"PDBC36225","699185///699187","Present",NA,NA
+"36226","Ethyl 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-thioxo-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","JFVOFTLGWNTAFL-UHFFFAOYSA-N",381279,NA,"PDBC36226","667715","Present",NA,NA
+"36227","Ethyl 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-thioxo-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-sulfanylidene-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","XRJYQXMYBFBTJQ-UHFFFAOYSA-N",381283,NA,"PDBC36227","667719","Present",NA,NA
+"36228","Ethyl 5-cyano-6-(2-furyl)-2-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyridinecarboxylic acid, 5-cyano-1,4-dihydro- 6-(2-fur...",NA,"CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C#N)C3=CC=CO3)C","YLPDZGQFQFVKEM-UHFFFAOYSA-N",386904,NA,"PDBC36228","679804","Present",NA,NA
+"36229","Ethyl 5-cyclopropyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-cyclopropyl-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4CC4","MXBDNQNBZNKELC-UHFFFAOYSA-N",394378,NA,"PDBC36229","697778","Present",NA,NA
+"36230","Ethyl 5-ethoxy-2-phenyl-1,3-oxazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB55445",NA,"CCOC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OCC","ZRVCOYITILDISC-UHFFFAOYSA-N",358994,NA,"PDBC36230","619206","Present",NA,NA
+"36231","Ethyl 5-ethyl-2,6-dihydroxy-4-methylnicotinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-ethyl-2,6-dihydroxy-4-methylnicotinate",NA,"CCC1=C(C(=C(NC1=O)O)C(=O)OCC)C","FLHWJKMEVNETFK-UHFFFAOYSA-N",135431328,NA,"PDBC36231","26145","Present",NA,NA
+"36232","Ethyl 5-ethyl-8-oxo-5,8-dihydro[1,3]dithiolo[4,5-g]quinoline-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,3-Dithiolo[4,5-g]quinoline-7-carboxylic acid, 5-eth...",NA,"CCN1C=C(C(=O)C2=CC3=C(C=C21)SCS3)C(=O)OCC","KSSWNYHINJHCCN-UHFFFAOYSA-N",362375,NA,"PDBC36232","626119","Present",NA,NA
+"36233","Ethyl 5-hydrazino-1,2,3-thiadiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-hydrazino-1,2,3-thiadiazole-4-carboxylate",NA,"CCOC(=O)C1=C(SN=N1)NN","DXRVRACCHWIPJB-UHFFFAOYSA-N",389966,NA,"PDBC36233","686668","Present",NA,NA
+"36234","Ethyl 5-hydroxy-1,2-dimethyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-hydroxy-1,2-dimethyl-1,6,7,8,9,10-hexahydropyrrolo[3,2-c]carbazole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)C)C","FAIJNCAKHQGHTO-UHFFFAOYSA-N",404593,NA,"PDBC36234","720985","Present",NA,NA
+"36235","Ethyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-hydroxy-1-[(4-methoxyphenyl)methyl]-2-methyl-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)CC5=CC=C(C=C5)OC)C","XTNNUQLGXGSGMM-UHFFFAOYSA-N",405350,NA,"PDBC36235","722573","Present",NA,NA
+"36236","Ethyl 5-hydroxy-2-methyl-1-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-hydroxy-2-methyl-1-(4-methylphenyl)-7,8,9,10-tetrahydro-6H-pyrrolo[3,2-c]carbazole-3-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C4=C(CCCC4)NC3=C(C=C12)O)C5=CC=C(C=C5)C)C","KPPLKOAYRJBPAO-UHFFFAOYSA-N",405344,NA,"PDBC36236","722567","Present",NA,NA
+"36237","Ethyl 5-hydroxy-4,7-dioxo-benzothiophene-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-[Ethoxy(hydroxy)methylidene]-1-benzothiophene-4,5,7(6H)-trione",NA,"CCOC(=O)C1=C(C(=O)C2=C(C1=O)SC=C2)O","PYQXPAIMSTWCEK-UHFFFAOYSA-N",54686231,NA,"PDBC36237","651209","Present",NA,NA
+"36238","Ethyl 5-hydroxy-4-methoxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-a]carbazole-10(1H)-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-hydroxy-4-methoxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-a]carbazole-10(1H)-carboxylate",NA,"CCOC(=O)N1C2=CC=CC=C2C3=C1C4=C(C(=C3O)OC)C(=O)NC4=O","DXBICQVGDKQDDS-UHFFFAOYSA-N",393592,NA,"PDBC36238","695663","Present",NA,NA
+"36239","Ethyl 5-hydroxy-7-methoxy-3-nitropyrrolo[2,3-d]pyridazine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-hydroxy-3-[hydroxy(oxido)amino]-7-methoxy-1,6-dihydropyrrolo[2,3-d]pyridazine-2-carboxylate",NA,"CCOC(=O)C1=C(C2=CN(N=C(C2=N1)OC)O)[N+](=O)[O-]","OPZUFOHSCNIRKO-UHFFFAOYSA-N",303646,NA,"PDBC36239","192996","Present",NA,NA
+"36240","Ethyl 5-isopropyl-8-methyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-[[2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]propanoylamino]acetate",NA,"CCOC(=O)CNC(=O)C(C)NC(=O)C(C(C)C)NC(=O)OCC1=CC=CC=C1","GRFBEPMRBAWPHP-UHFFFAOYSA-N",381442,NA,"PDBC36240","668030","Present",NA,NA
+"36241","Ethyl 5-methyl-4-phenyl-1,3-thiazol-2-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 7267814",NA,"CCOC(=O)NC1=NC(=C(S1)C)C2=CC=CC=C2","IFFOBFOAKGBWME-UHFFFAOYSA-N",260048,NA,"PDBC36241","90898","Present",NA,NA
+"36242","Ethyl 5-methyl-7-(4-nitrobenzoyl)-1H-indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-methyl-7-(4-nitrobenzoyl)-1H-indole-2-carboxylate",NA,"CCOC(=O)C1=CC2=C(N1)C(=CC(=C2)C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]","YGXALZXRWGUHEO-UHFFFAOYSA-N",389559,NA,"PDBC36242","685864","Present",NA,NA
+"36243","Ethyl 5-methyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-methyl-7-(methylthio)-4,5-dihydro-3H-1-thia-3,5,6,8-tetraazaacenaphthylene-2-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C","JBKSJJDWSINIFT-UHFFFAOYSA-N",394377,NA,"PDBC36243","697777","Present",NA,NA
+"36244","Ethyl 5-nitro-4-(4-nitrophenyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-nitro-4-(4-nitrophenyl)-1H-pyrrole-2-carboxylate",NA,"CCOC(=O)C1=CC(=C(N1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]","CJZQVNYTOOWSDW-UHFFFAOYSA-N",378981,NA,"PDBC36244","662573","Present",NA,NA
+"36245","Ethyl 5-oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carboxylate",NA,"CCOC(=O)C1=CN=C2NC=CN2C1=O","FVRDCZVVOUIEOK-UHFFFAOYSA-N",377283,NA,"PDBC36245","658536","Present",NA,NA
+"36246","Ethyl 5-oxo-2,3,5,8-tetrahydrothieno[3,2-g]quinoline-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-oxo-2,3,5,8-tetrahydrothieno[3,2-g]quinoline-6-carboxylate",NA,"CCOC(=O)C1=CNC2=C(C1=O)C=C3CCSC3=C2","ASPMATCMBPYVLC-UHFFFAOYSA-N",376958,NA,"PDBC36246","658158","Present",NA,NA
+"36247","Ethyl 5-oxo-4,5-dihydroimidazo[1,5-a]quinazoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-oxo-4,5-dihydroimidazo[1,5-a]quinazoline-3-carboxylate",NA,"CCOC(=O)C1=C2NC(=O)C3=CC=CC=C3N2C=N1","OLVFZZRAMIUIHH-UHFFFAOYSA-N",376207,NA,"PDBC36247","656745","Present",NA,NA
+"36248","Ethyl 6,6-dimethyl-4-oxo-5h-pyran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6,6-dimethyl-4-oxo-5h-pyran-3-carboxylate",NA,"CCOC(=O)C1=COC(CC1=O)(C)C","KDIKHENHDBACRN-UHFFFAOYSA-N",395040,NA,"PDBC36248","699224","Present",NA,NA
+"36249","Ethyl 6,7-dichloro-1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 6,7-dichloro-3-phenyl-2-quinoxalincarboxylate 1,4-...",NA,"CCOC(=O)C1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C3=CC=CC=C3","BRHZSLZKEOOOLJ-UHFFFAOYSA-N",24204287,NA,"PDBC36249","731201","Present",NA,NA
+"36250","Ethyl 6,7-dichloro-3-(2-ethoxy-2-oxoethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6,7-dichloro-3-(2-ethoxy-2-oxoethyl)-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate",NA,"CCOC(=O)CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCC","XQMRFKKERSBSLJ-UHFFFAOYSA-N",403946,NA,"PDBC36250","719712","Present",NA,NA
+"36251","Ethyl 6,7-difluoro-1-oxido-4-oxo-3-phenylquinoxalin-4-ium-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 6,7-difluor-3-phenyl-2-quinoxalincarboxylate 1,4-d...",NA,"CCOC(=O)C1=C([N+](=O)C2=CC(=C(C=C2N1[O-])F)F)C3=CC=CC=C3","HMJXCGDMUMKQNF-UHFFFAOYSA-N",24204290,NA,"PDBC36251","731204","Present",NA,NA
+"36252","Ethyl 6,7-difluoro-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6,7-difluoro-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC(=C(C=C2N=C1NCC3=CC(=C(C(=C3)OC)OC)OC)F)F","NJVPTCILVNLDPI-UHFFFAOYSA-N",394498,NA,"PDBC36252","698043","Present",NA,NA
+"36253","Ethyl 6,7-difluoro-3-methylquinoxaline-2-carboxylate 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-di-N-oxide-6,7-difluor-2-ethoxycarbonyl-3-methylquin...",NA,"CCOC(=O)C1=C(N(C2=CC(=C(C=C2[N+]1=O)F)F)[O-])C","DFZJKQVNUNPEIT-UHFFFAOYSA-N",4918469,NA,"PDBC36253","725536","Present",NA,NA
+"36254","Ethyl 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6,7-dimethylimidazo[2,1-b][1,3]benzothiazole-2-carboxylate",NA,"CCOC(=O)C1=CN2C3=C(C=C(C(=C3)C)C)SC2=N1","FCOFKKGEHRBJTE-UHFFFAOYSA-N",396589,NA,"PDBC36254","703097","Present",NA,NA
+"36255","Ethyl 6,8-dimethyl-1-(4-methylphenyl)-5-thioxo-5,6-dihydro-1H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6,8-dimethyl-1-(p-tolyl)-5-thioxo-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate",NA,"CCOC(=O)C1=NN(C2=CC(=NN(C(=S)N21)C)C)C3=CC=C(C=C3)C","SSDUFWYDOKFLCT-UHFFFAOYSA-N",383797,NA,"PDBC36255","672297","Present",NA,NA
+"36256","Ethyl 6,8-dimethyl-1-phenyl-5-thioxo-5,6-dihydro-1H-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6,8-dimethyl-1-phenyl-5-thioxo-[1,2,4]triazolo[4,3-d][1,2,4]triazepine-3-carboxylate",NA,"CCOC(=O)C1=NN(C2=CC(=NN(C(=S)N21)C)C)C3=CC=CC=C3","GTZGBRZINLRULU-UHFFFAOYSA-N",383798,NA,"PDBC36256","672298","Present",NA,NA
+"36257","Ethyl 6,8-dimethyl-4,5-dihydro-2H-pyrrolo[2,3-g]indazole-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[2,3-g]indazole-7-carboxylic acid, 2,4,5,6-tetrah...",NA,"CCOC(=O)C1=C(C2=C(N1C)CCC3=C2NN=C3)C","WOCBKWVOZPLPPG-UHFFFAOYSA-N",301367,NA,"PDBC36257","178002","Present",NA,NA
+"36258","Ethyl 6-((2-(4-chlorophenoxy)-2-methylpropanoyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-[2-(4-chlorophenoxy)-2-methylpropanoyl]sulfanyl-6-oxo-1,3-diphenyl-2-sulfanylidenepyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C(C)(C)OC4=CC=C(C=C4)Cl","KNQUHPWQXSKVKF-UHFFFAOYSA-N",383068,NA,"PDBC36258","671112","Present",NA,NA
+"36259","Ethyl 6-((2-(4-morpholinyl)ethyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(2-morpholinoethylsulfanyl)-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCN4CCOCC4","ZNWNXXSUGUQELY-UHFFFAOYSA-N",376035,NA,"PDBC36259","656434","Present",NA,NA
+"36260","Ethyl 6-((2-ethoxy-2-oxoethyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(2-ethoxy-2-oxo-ethyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate",NA,"CCOC(=O)CSC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC","PAQVPRADGFPWLO-UHFFFAOYSA-N",383059,NA,"PDBC36260","671103","Present",NA,NA
+"36261","Ethyl 6-((2-hydroxyethyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(2-hydroxyethylsulfanyl)-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SCCO","DQRIAKCDZCNMQU-UHFFFAOYSA-N",383060,NA,"PDBC36261","671104","Present",NA,NA
+"36262","Ethyl 6-((4-chlorobenzoyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-chlorobenzoyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC=C(C=C4)Cl","WXZRFEBAJOJVJX-UHFFFAOYSA-N",383070,NA,"PDBC36262","671114","Present",NA,NA
+"36263","Ethyl 6-((4-methoxybenzoyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-methoxybenzoyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC=C(C=C4)OC","SXHWWKZJYKIIBR-UHFFFAOYSA-N",383069,NA,"PDBC36263","671113","Present",NA,NA
+"36264","Ethyl 6-((4-tert-butylbenzoyl)thio)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 4-(4-tert-butylbenzoyl)sulfanyl-6-oxo-1,3-diphenyl-2-thioxo-pyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)SC(=O)C4=CC=C(C=C4)C(C)(C)C","SMBSMUYVIBTTSY-UHFFFAOYSA-N",383071,NA,"PDBC36264","671115","Present",NA,NA
+"36265","Ethyl 6-(3-bromophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-(3-bromophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate",NA,"CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CC(=C2)C)O)C3=CC(=CC=C3)Br","RDHSVIVMQUOVDX-UHFFFAOYSA-N",403650,NA,"PDBC36265","718718","Present",NA,NA
+"36266","Ethyl 6-(3-chlorophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-(3-chlorophenyl)-4-(2-hydroxy-5-methylphenyl)-2-oxocyclohex-3-ene-1-carboxylate",NA,"CCOC(=O)C1C(CC(=CC1=O)C2=C(C=CC(=C2)C)O)C3=CC(=CC=C3)Cl","SVNJZZKCTUMZDE-UHFFFAOYSA-N",403639,NA,"PDBC36266","718707","Present",NA,NA
+"36267","Ethyl 6-(4-oxo-4H-chromen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-(4-oxo-4H-chromen-2-yl)-2,3-dihydro-1,4-benzodioxine-2-carboxylate",NA,"CCOC(=O)C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3","LZIOVLJGKCCYKV-UHFFFAOYSA-N",361050,NA,"PDBC36267","623793","Present",NA,NA
+"36268","Ethyl 6-(6-acetyl-5-hydroxy-4-methoxy-7,8-dihydrothieno[3,2-e]indole-2-carbonyl)-5-hydroxy-4-methoxy-7,8-dihydrothieno[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-((6-acetyl-5-hydroxy-4-methoxy-7,8-dihydro-6H-thieno[3,2-e]indol-2-yl)carbonyl)-5-hydroxy-4-methoxy-7,8-dihydro-6H-thieno[3,2-e]indole-2-carboxylate",NA,"CCOC(=O)C1=CC2=C3CCN(C3=C(C(=C2S1)OC)O)C(=O)C4=CC5=C6CCN(C6=C(C(=C5S4)OC)O)C(=O)C","DBHKAVVBCKMIGD-UHFFFAOYSA-N",363102,NA,"PDBC36268","627672","Present",NA,NA
+"36269","Ethyl 6-(benzylamino)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-(benzylamino)-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)NCC4=CC=CC=C4","URPGXRRFSWCLHF-UHFFFAOYSA-N",376039,NA,"PDBC36269","656438","Present",NA,NA
+"36270","Ethyl 6-(benzyloxy)-5-methoxy-1-(4-methoxyphenyl)-2-methyl-2,3-dihydro-1H-benzo[de][1,8]naphthyridine-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-methoxy-12-(4-methoxyphenyl)-11-methyl-6-phenylmethoxy-2,12-diazatricyclo[7.3.1.05,13]trideca-1(13),2,4,6,8-pentaene-3-carboxylate",NA,"CCOC(=O)C1=NC2=C3C(=CC(=C(C3=C1)OCC4=CC=CC=C4)OC)CC(N2C5=CC=C(C=C5)OC)C","ORCHUHMKJLLBJL-UHFFFAOYSA-N",373946,NA,"PDBC36270","650978","Present",NA,NA
+"36271","Ethyl 6-(bromomethyl)-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-(bromomethyl)-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole-5-carboxylate",NA,"CCOC(=O)C1=C(N2C(=NC(=N2)C3=CC=CC=C3)S1)CBr","WJECFPAULLARKL-UHFFFAOYSA-N",378562,NA,"PDBC36271","661201","Present",NA,NA
+"36272","Ethyl 6-(hydroxymethyl)-1,4-dithiepane-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-(hydroxymethyl)-1,4-dithiepane-6-carboxylate",NA,"CCOC(=O)C1(CSCCSC1)CO","MTWPNJXCOIKTFR-UHFFFAOYSA-N",373721,NA,"PDBC36272","650623","Present",NA,NA
+"36273","Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyanilino)-2-quinoxalinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyanilino)-2-quinoxalinecarboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC(=C(C(=C3)OC)OC)OC","FZBMIYHQEOXBKJ-UHFFFAOYSA-N",383930,NA,"PDBC36273","672886","Present",NA,NA
+"36274","Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-(trifluoromethyl)-3-(3,4,5-trimethoxyphenoxy)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1OC3=CC(=C(C(=C3)OC)OC)OC","CCHQDVAINNQOQW-UHFFFAOYSA-N",393428,NA,"PDBC36274","695315","Present",NA,NA
+"36275","Ethyl 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-(trifluoromethyl)-3-[(3,4,5-trimethoxyphenyl)methylamino]quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NCC3=CC(=C(C(=C3)OC)OC)OC","MDFRZXVWANAHDK-UHFFFAOYSA-N",387374,NA,"PDBC36275","681126","Present",NA,NA
+"36276","Ethyl 6-amino-2,4-dioxo-1,3-diphenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-amino-2,4-dioxo-1,3-diphenyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,"CCOC(=O)C1=C(N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)N","HMZCJRRYHURFCF-UHFFFAOYSA-N",376037,NA,"PDBC36276","656436","Present",NA,NA
+"36277","Ethyl 6-amino-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-amino-4-oxo-1,3-diphenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,"CCOC(=O)C1=C(N(C(=S)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)N","SJYWYHOVRMBDRX-UHFFFAOYSA-N",376038,NA,"PDBC36277","656437","Present",NA,NA
+"36278","Ethyl 6-amino-5-cyano-4-(2-methoxyphenyl)-2-propyl-4H-pyran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 6-amino-5-cyano-4-(2-methoxyphenyl)-2-propyl-4H-py...",NA,"CCCC1=C(C(C(=C(O1)N)C#N)C2=CC=CC=C2OC)C(=O)OCC","WMHBSSALMXHBOA-UHFFFAOYSA-N",3896903,NA,"PDBC36278","737797","Present",NA,NA
+"36279","Ethyl 6-benzyl-4-hydroxy-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-benzyl-4-hydroxy-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,"CCOC(=O)C1=CC2=C3C=CN(C3=CC(=C2N1)O)CC4=CC=CC=C4","OJFBSSXCIADESG-UHFFFAOYSA-N",393085,NA,"PDBC36279","694470","Present",NA,NA
+"36280","Ethyl 6-benzyl-4-oxo-3,5,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-benzyl-4-oxo-3,5,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate",NA,"CCOC(=O)C1=CC2=C(N1)C(=O)CC3=C2CCN3CC4=CC=CC=C4","BJRCMMRPEDPNGZ-UHFFFAOYSA-N",393087,NA,"PDBC36280","694472","Present",NA,NA
+"36281","Ethyl 6-benzylidene-2-cyano-5-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylimidoformate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-benzylidene-2-cyano-5-oxo-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylimidoformate",NA,"CCOC=NC1=C(SC2=NC(=CC3=CC=CC=C3)C(=O)N12)C#N","YIRFWAIRGXOUFQ-DVHDXZMDSA-N",9571582,NA,"PDBC36281","684397","Present",NA,NA
+"36282","Ethyl 6-bromo-1-butyl-2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxyindole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-bromo-1-butyl-2-[(4-chlorophenyl)sulfanylmethyl]-5-methoxy-indole-3-carboxylate",NA,"CCCCN1C2=CC(=C(C=C2C(=C1CSC3=CC=C(C=C3)Cl)C(=O)OCC)OC)Br","KUHSINKLRQAHKQ-UHFFFAOYSA-N",396474,NA,"PDBC36282","702651","Present",NA,NA
+"36283","Ethyl 6-bromo-1-butyl-5-[[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl]methoxy]-2-methyl-indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-bromo-1-butyl-5-[[4-[(2,5-dimethylpyrrol-1-yl)carbamoyl]phenyl]methoxy]-2-methylindole-3-carboxylate",NA,"CCCCN1C(=C(C2=CC(=C(C=C21)Br)OCC3=CC=C(C=C3)C(=O)NN4C(=CC=C4C)C)C(=O)OCC)C","IEFSLWBEJOZUNQ-UHFFFAOYSA-N",390889,NA,"PDBC36283","689000","Present",NA,NA
+"36284","Ethyl 6-butyl-1H-[1,3]azaphospholo[1,5-a]pyridin-4-ium-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-butyl-1H-[1,3]azaphospholo[1,5-a]pyridin-4-ium-3-carboxylate",NA,"CCCCC1=C[N+]2=C(CP=C2C(=O)OCC)C=C1","XPRPJESLUUGWRK-UHFFFAOYSA-N",495550,NA,"PDBC36284","658783","Present",NA,NA
+"36285","Ethyl 6-butyl-3-methylsulfanyl-9,11-dioxo-15-thia-2,4,6,8-tetrazatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),12-tetraene-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-butyl-3-methylsulfanyl-9,11-dioxo-15-thia-2,4,6,8-tetrazatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),12-tetraene-10-carboxylate",NA,"CCCCN1CN2C(=O)C(C(=O)C3=C2C4=C1N=C(N=C4S3)SC)C(=O)OCC","UNLJEZANVBQVQL-UHFFFAOYSA-N",402906,NA,"PDBC36285","717228","Present",NA,NA
+"36286","Ethyl 6-carbamoyl-5,7-dioxo-cyclopenta[c]pyridine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-carbamoyl-5,7-dioxo-cyclopenta[c]pyridine-6-carboxylate",NA,"CCOC(=O)C1(C(=O)C2=C(C1=O)C=NC=C2)C(=O)N","STQSNGHFXKNZBI-UHFFFAOYSA-N",389471,NA,"PDBC36286","685679","Present",NA,NA
+"36287","Ethyl 6-chloro-2-(4-chlorophenylsulfonyl)-1,3-dihydro-1,4,2-benzodithiazine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-chloro-2-(4-chlorophenylsulfonyl)-1,1-dioxo-3-(p...",NA,"CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NC3=CC=CC=C3)N(S2(=O)=O)S(=O)(=O)C4=CC=C(C=C4)Cl","SGJROTXYYZGAHG-UHFFFAOYSA-N",24205031,NA,"PDBC36287","734035","Present",NA,NA
+"36288","Ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-chloro-2-methyl-4-phenylquinolin-3-ethyl carboxylate",NA,"CCOC(=O)C1=C(N=C2C=CC(=CC2=C1C3=CC=CC=C3)Cl)C","BHCZANKDQKMIBU-UHFFFAOYSA-N",629761,NA,"PDBC36288","737758","Present",NA,NA
+"36289","Ethyl 6-chloro-3-[N-(4-fluorophenyl)-5-methoxybenzenesulfonamido]-1,4,2-benzodithiazine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-chloro-3-[N-(4-fluorophenyl)-5-methoxybenzenesul...",NA,"CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=C(C=C4)OC","PYTNSNPHCLJYHX-UHFFFAOYSA-N",24206075,NA,"PDBC36289","740012","Present",NA,NA
+"36290","Ethyl 6-chloro-3-[N-(4-methoxyphenyl)-4-chlorobenzenesulfonamido]-1,4,2-benzodithiazine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-chloro-3-[N-(4-methoxyphenyl)-4-chlorobenzenesul...",NA,"CCOC(=O)C1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)N(C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=C(C=C4)Cl","FUBJMCFDBDPAHE-UHFFFAOYSA-N",24206077,NA,"PDBC36290","740014","Present",NA,NA
+"36291","Ethyl 6-chloro-4-phenyl-2-(1-piperazinylmethyl)-3-quinolinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline-3-carboxylic acid, 6-chloro-4-phenyl- 2-[(pipe...",NA,"CCOC(=O)C1=C(C2=C(C=CC(=C2)Cl)N=C1CN3CCNCC3)C4=CC=CC=C4","ZMUYHDADZJBKGT-UHFFFAOYSA-N",369623,NA,"PDBC36291","641536","Present",NA,NA
+"36292","Ethyl 6-chloro-8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-chloro-8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxaz...",NA,"CCOC(=O)C1=C(C2=C(N1CC3=CC(=CC=C3)OC)C4=C(CC2)C=NO4)Cl","OYDDLHCZFRKVDF-UHFFFAOYSA-N",60148304,NA,"PDBC36292","754110","Present",NA,NA
+"36293","Ethyl 6-chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-chloro-8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate",NA,"CCOC(=O)C1=C2CCCC3=C(C=C(C(=C32)O1)OC)Cl","AZECOVGYESMNIP-UHFFFAOYSA-N",361663,NA,"PDBC36293","624881","Present",NA,NA
+"36294","Ethyl 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-cyano-2,5-dimethylimidazo[2,1-a]isoquinoline-3-carboxylate",NA,"CCOC(=O)C1=C(N=C2N1C(=C(C3=CC=CC=C32)C#N)C)C","RDSSDVKTIGYWMI-UHFFFAOYSA-N",393407,NA,"PDBC36294","695250","Present",NA,NA
+"36295","Ethyl 6-cyano-2-[2-(6-cyano-6-ethoxycarbonyl-5,7-dioxocyclopenta[c]pyridin-2-ium-2-yl)ethyl]-5,7-dioxocyclopenta[c]pyridin-2-ium-6-carboxylate;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-cyano-2-[2-(6-cyano-6-ethoxycarbonyl-5,7-dioxocyclopenta[c]pyridin-2-ium-2-yl)ethyl]-5,7-dioxocyclopenta[c]pyridin-2-ium-6-carboxylate;bromide",NA,"CCOC(=O)C1(C(=O)C2=C(C1=O)C=[N+](C=C2)CC[N+]3=CC4=C(C=C3)C(=O)C(C4=O)(C#N)C(=O)OCC)C#N.[Br-]","NGOCKVVTOHMHKX-UHFFFAOYSA-M",389463,NA,"PDBC36295","685674","Present",NA,NA
+"36296","Ethyl 6-ethoxy-3,6-dihydroxy-4-(4-methoxyphenyl)-2-phenyl-5,7-dihydro-4H-indazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-ethoxy-6-hydroxy-4-(4-methoxyphenyl)-3-oxo-2-phenyl-1,4,5,7-tetrahydroindazole-5-carboxylate",NA,"CCOC(=O)C1C(C2=C(CC1(O)OCC)NN(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)OC","XTHREJKVZNKFFZ-UHFFFAOYSA-N",392846,NA,"PDBC36296","693858","Present",NA,NA
+"36297","Ethyl 6-ethoxy-3,6-dihydroxy-4-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-ethoxy-3,6-dihydroxy-4-(4-methoxyphenyl)-4,5,6,7-tetrahydro-2H-indazole-5-carboxylate",NA,"CCOC(=O)C1C(C2=C(CC1(O)OCC)NNC2=O)C3=CC=C(C=C3)OC","NXXQPBQSSHTVLR-UHFFFAOYSA-N",392844,NA,"PDBC36297","693856","Present",NA,NA
+"36298","Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate",NA,"CCN1C=C(C(=O)C2=C1C=CC3=C2SC=C3)C(=O)OCC","IHCTTYHYQHWNEU-UHFFFAOYSA-N",376955,NA,"PDBC36298","658155","Present",NA,NA
+"36299","Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-ethyl-9-oxo-6,9-dihydrothieno[2,3-f]quinoline-8-carboxylate 1,1-dioxide",NA,"CCN1C=C(C(=O)C2=C1C=CC3=C2S(=O)(=O)C=C3)C(=O)OCC","XCYAGYVUBKJECG-UHFFFAOYSA-N",376956,NA,"PDBC36299","658156","Present",NA,NA
+"36300","Ethyl 6-fluoro-3-hydroxy-7-morpholino-quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-fluoro-3-hydroxy-7-morpholino-quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)F)N3CCOCC3","OBGFWKUSMBLCMB-UHFFFAOYSA-N",391194,NA,"PDBC36300","690027","Present",NA,NA
+"36301","Ethyl 6-hydroxy-2-oxo-3-phenyl-thieno[2,3-d]thiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-hydroxy-2-oxo-3-phenyl-thieno[2,3-d]thiazole-5-carboxylate",NA,"CCOC(=O)C1=C(C2=C(S1)N(C(=O)S2)C3=CC=CC=C3)O","FVFYXKDZFVPEEL-UHFFFAOYSA-N",371945,NA,"PDBC36301","646667","Present",NA,NA
+"36302","Ethyl 6-hydroxy-4-phenyl-[1]benzofuro[2,3-b]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-Hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyridine -3...",NA,"CCOC(=O)C1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O","ZIAVUCXRGWKBBY-UHFFFAOYSA-N",403994,NA,"PDBC36302","720029","Present",NA,NA
+"36303","Ethyl 6-hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-[1,3]dioxolo[4,5-g]chromene-7-carboxylate",NA,"CCOC(=O)C1C(C2=CC3=C(C=C2OC1(C)O)OCO3)C4=CC(=C(C(=C4)OC)O)OC","YSGQHASRQDLYFR-UHFFFAOYSA-N",358795,NA,"PDBC36303","618864","Present",NA,NA
+"36304","Ethyl 6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate",NA,"CCOC(=O)C1=C2CCCC3=C(C=CC(=C32)O1)OC","NGUJIGPABZYOJY-UHFFFAOYSA-N",361660,NA,"PDBC36304","624878","Present",NA,NA
+"36305","Ethyl 6-methyl-1-oxo-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-methyl-1-oxo-2-indanecarboxylate",NA,"CCOC(=O)C1CC2=C(C1=O)C=C(C=C2)C","NGNZNXPCCYNWNH-UHFFFAOYSA-N",382676,NA,"PDBC36305","670324","Present",NA,NA
+"36306","Ethyl 6-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate",NA,"CCOC(=O)C1(CC2=C(C1=O)C=C(C=C2)C)CC3=CC=C(C=C3)C","MDXXMGCOWMNOSP-UHFFFAOYSA-N",382681,NA,"PDBC36306","670329","Present",NA,NA
+"36307","Ethyl 6-methyl-2-(p-tolylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-methyl-2-(p-tolylcarbamothioylamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate",NA,"CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NC3=CC=C(C=C3)C","GBGQWSROVBRSDL-UHFFFAOYSA-N",3005311,NA,"PDBC36307","690142","Present",NA,NA
+"36308","Ethyl 6-methyl-3-nitro-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-methyl-3-nitro-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate",NA,"CCOC(=O)C1=C(NC(=O)N(C1C2=CC=CC=C2C(F)(F)F)[N+](=O)[O-])C","PBLGFANTKXXPDP-UHFFFAOYSA-N",402868,NA,"PDBC36308","717158","Present",NA,NA
+"36309","Ethyl 6-methyl-4-oxo-6-phenethyl-5h-pyran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-methyl-4-oxo-6-phenethyl-5h-pyran-3-carboxylate",NA,"CCOC(=O)C1=COC(CC1=O)(C)CCC2=CC=CC=C2","NKLQGZDNGKMBFM-UHFFFAOYSA-N",395041,NA,"PDBC36309","699225","Present",NA,NA
+"36310","Ethyl 6-methyl-4-oxo-6-phenyl-5h-pyran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6-methyl-4-oxo-6-phenyl-5h-pyran-3-carboxylate",NA,"CCOC(=O)C1=COC(CC1=O)(C)C2=CC=CC=C2","BKGAYMIQMJQFIV-UHFFFAOYSA-N",395039,NA,"PDBC36310","699223","Present",NA,NA
+"36311","Ethyl 6-nitro-2-oxo-2H-chromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_030125",NA,"CCOC(=O)C1=CC2=C(C=CC(=C2)[N+](=O)[O-])OC1=O","OGWYDXOVZXOHSD-UHFFFAOYSA-N",248840,NA,"PDBC36311","66338","Present",NA,NA
+"36312","Ethyl 6a-hydroxy-6-methoxy-8-methyl-7-(2-methylpropyl)-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6a-hydroxy-6-methoxy-8-methyl-7-(2-methylpropyl)-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(C(=O)CC2OC)C(=O)N(C3=O)C4=CC=CC=C4)O)CC(C)C)C","MRNLEHAAJJVLHL-UHFFFAOYSA-N",405614,NA,"PDBC36312","722984","Present",NA,NA
+"36313","Ethyl 6a-hydroxy-7-(4-methoxyphenyl)-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 6a-hydroxy-7-(4-methoxyphenyl)-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)C5=CC=C(C=C5)OC)C","SCTVEFSNKBRRPZ-UHFFFAOYSA-N",404900,NA,"PDBC36313","721468","Present",NA,NA
+"36314","Ethyl 7,14-dicyano-3,5-dioxo-4-phenyl-1-[(triphenyl-lambda5-phosphanylidene)amino]-9-thia-2,4,6-triazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7,14-dicyano-3,5-dioxo-4-phenyl-1-[(triphenyl-lambda5-phosphanylidene)amino]-9-thia-2,4,6-triazatetracyclo[5.5.2.02,6.08,12]tetradec-13-ene-12-carboxylate",NA,"CCOC(=O)C12CCSC1C3(C(=CC2(N4N3C(=O)N(C4=O)C5=CC=CC=C5)N=P(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C#N)C#N","UASYCYXROHZFQO-UHFFFAOYSA-N",365487,NA,"PDBC36314","633120","Present",NA,NA
+"36315","Ethyl 7,2,6,7-tetrahydropyrrolo[3',2':4,5]thiopyrano[3,2-b]pyridine-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7,9-dimethyl-2-oxo-3-(phenylsulfonyl)-1,2,6,7-tetr...",NA,"CCOC(=O)C1=C(C2=C(N1C)CSC3=C2NC(=O)C(=C3)S(=O)(=O)C4=CC=CC=C4)C","JTDXQUZJNXBQRU-UHFFFAOYSA-N",54612952,NA,"PDBC36315","749872","Present",NA,NA
+"36316","Ethyl 7,8-dihydrofuro[3,2-e][1,3]benzodioxol-8-ylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[3,2-e]1,3-benzodioxol-8-acetic acid, 7,8-dihydro-, ...",NA,"CCOC(=O)CC1COC2=C1C3=C(C=C2)OCO3","IWSRYJBVMVDCBV-UHFFFAOYSA-N",367175,NA,"PDBC36316","636670","Present",NA,NA
+"36317","Ethyl 7,9-dibromo-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7,9-dibromo-8-oxo-1-oxa-2-azaspiro[4.5]deca-2,6,9-triene-3-carboxylate",NA,"CCOC(=O)C1=NOC2(C1)C=C(C(=O)C(=C2)Br)Br","ORARTTQFEFEHMJ-UHFFFAOYSA-N",397417,NA,"PDBC36317","705163","Present",NA,NA
+"36318","Ethyl 7-((aminocarbonyl)amino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-(carbamoylamino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate",NA,"CCOC(=O)C1=C(N(C(C12CCOC2=O)(C)O)NC(=O)N)C","NZFSQGCYEUAVCR-UHFFFAOYSA-N",367823,NA,"PDBC36318","637898","Present",NA,NA
+"36319","Ethyl 7-((aminocarbonyl)amino)-6-oxo-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 11-(carbamoylamino)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate",NA,"CCOC(=O)C1=C2N=CC3=C(N2N=C1)C=CN(C3=O)NC(=O)N","KQGZQKXSRBBQHD-UHFFFAOYSA-N",394668,NA,"PDBC36319","698270","Present",NA,NA
+"36320","Ethyl 7-(1,3-benzodioxol-5-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-(1,3-benzodioxol-5-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC5=C(C=C4)OCO5","FCYXNMTZQWYZTE-UHFFFAOYSA-N",399950,NA,"PDBC36320","711102","Present",NA,NA
+"36321","Ethyl 7-(3,4-difluorophenyl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-(3,4-difluorophenyl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC(=C(C=C4)F)F","WCGGUWAZMWJGMN-UHFFFAOYSA-N",399952,NA,"PDBC36321","711104","Present",NA,NA
+"36322","Ethyl 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-10-methylsulfanyl-2-thia-5,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraene-3-carboxylate",NA,"CCOC(=O)C1=C2C3=C(N=C(N=C3S1)SC)N(CN2)C4=CC5=C(C=C4)OCCCO5","USCVPMPUUMBIMM-UHFFFAOYSA-N",399951,NA,"PDBC36322","711103","Present",NA,NA
+"36323","Ethyl 7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-(4-chlorophenyl)-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)C5=CC=C(C=C5)Cl)C","XKNOGZSWLNIMQF-UHFFFAOYSA-N",404599,NA,"PDBC36323","720991","Present",NA,NA
+"36324","Ethyl 7-(dimethylamino)-2H-chromene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-(dimethylamino)-2H-chromene-4-carboxylate",NA,"CCOC(=O)C1=CCOC2=C1C=CC(=C2)N(C)C","ARGHQPUSDLVPAL-UHFFFAOYSA-N",381079,NA,"PDBC36324","667230","Present",NA,NA
+"36325","Ethyl 7-(p-chlorophenyl)hydrazo-3-methyl-6-oxo thieno[2,2-b]thiophen-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-(p-chlorophenyl)hydrazo-3-methyl-6-oxo thieno[2,...",NA,"CCOC(=O)C1=C(C2=C(S1)N=C3N(C2=S)C(=C(S3)N=NC4=CC=C(C=C4)Cl)O)C","VNZMDGCCCWWVBC-UHFFFAOYSA-N",406455,NA,"PDBC36325","724529","Present",NA,NA
+"36326","Ethyl 7-(trifluoromethyl)-3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-(trifluoromethyl)-3-(3,4,5-trimethoxyanilino)quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)C(F)(F)F)N=C1NC3=CC(=C(C(=C3)OC)OC)OC","FQAXSMLGALNSSS-UHFFFAOYSA-N",383933,NA,"PDBC36326","672889","Present",NA,NA
+"36327","Ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(C(=O)CC2OC)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=C(C=C(C=C5)Cl)Cl)C","LJUNDBXGQFYTAM-UHFFFAOYSA-N",405620,NA,"PDBC36327","722990","Present",NA,NA
+"36328","Ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-[(2,4-dichlorophenyl)methyl]-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=C(C=C(C=C5)Cl)Cl)C","WJFPSRHKGRYMDZ-UHFFFAOYSA-N",405617,NA,"PDBC36328","722987","Present",NA,NA
+"36329","Ethyl 7-[(4-methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7...",NA,"CCOC(=O)C1=NOC2=C1CCC3=C(N(C=C32)CC4=CC=C(C=C4)OC)C5=CC(=C(C(=C5)OC)OC)OC","BIEYSIBLKWNZBK-UHFFFAOYSA-N",155812326,NA,"PDBC36329","793969","Present",NA,NA
+"36330","Ethyl 7-benzamido-1-chloro-10-hydroxy-6-oxo-azepino[1,2-a]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-benzamido-1-chloro-10-hydroxy-6-oxo-azepino[1,2-a]indole-9-carboxylate",NA,"CCOC(=O)C1=C(C2=CC3=C(N2C(=O)C(=C1)NC(=O)C4=CC=CC=C4)C=CC=C3Cl)O","HVJIICUNLYOSAD-UHFFFAOYSA-N",54681659,NA,"PDBC36330","672148","Present",NA,NA
+"36331","Ethyl 7-benzoyl-2-(4-chlorophenyl)pyrrolo[1,2-b]pyridazine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-benzoyl-2-(4-chlorophenyl)pyrrolo[1,2-b]pyridazine-5-carboxylate",NA,"CCOC(=O)C1=C2C=CC(=NN2C(=C1)C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","RRVFUTXNJKKSQK-UHFFFAOYSA-N",394296,NA,"PDBC36331","697663","Present",NA,NA
+"36332","Ethyl 7-benzyl-3-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoxazolo[5,4-b]pyridine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-benzyl-3-(4-chlorophenyl)-3a,4,7,7a-tetrahydroisoxazolo[5,4-b]pyridine-5-carboxylate",NA,"CCOC(=O)C1=CN(C2C(C1)C(=NO2)C3=CC=C(C=C3)Cl)CC4=CC=CC=C4","IDPPECWXGYLOCA-UHFFFAOYSA-N",380501,NA,"PDBC36332","666116","Present",NA,NA
+"36333","Ethyl 7-benzyl-6a-hydroxy-1,3,4-trioxo-2,8-diphenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-benzyl-6a-hydroxy-1,3,4-trioxo-2,8-diphenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=CC=CC=C5)C6=CC=CC=C6","RFBZVTYTIZTJSA-UHFFFAOYSA-N",404898,NA,"PDBC36333","721466","Present",NA,NA
+"36334","Ethyl 7-benzyl-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-benzyl-6a-hydroxy-6-methoxy-8-methyl-1,3,4-trioxo-2-phenyl-5,6-dihydro-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(C(=O)CC2OC)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=CC=CC=C5)C","SWTNXDZXWWJKQC-UHFFFAOYSA-N",405615,NA,"PDBC36334","722985","Present",NA,NA
+"36335","Ethyl 7-benzyl-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-benzyl-6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3aH-pyrrolo[3,4-d]indole-9-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(C(=O)C=C2)C(=O)N(C3=O)C4=CC=CC=C4)O)CC5=CC=CC=C5)C","DDYYWSQQAFVCEL-UHFFFAOYSA-N",404307,NA,"PDBC36335","720489","Present",NA,NA
+"36336","Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZB1337",NA,"CCOC(=O)C1=NC2=C(C=CC(=C2)Cl)NC1=O","QLQSEGZUZAKTPM-UHFFFAOYSA-N",387920,NA,"PDBC36336","682225","Present",NA,NA
+"36337","Ethyl 7-chloro-3-phenyl-2-quinoxalincarboxylate 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 7-chloro-3-phenyl-2-quinoxalincarboxylate 1,4-dioxide",NA,"CCOC(=O)C1=C([N+](=O)C2=C(N1[O-])C=C(C=C2)Cl)C3=CC=CC=C3","VQJUUMXAWFDGRT-UHFFFAOYSA-N",24204289,NA,"PDBC36337","731203","Present",NA,NA
+"36338","Ethyl 7-chloro-3-trifluoromethylquinoxaline-2-carboxylat...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-chloro-3-trifluoromethylquinoxaline-2-carboxylat...",NA,"CCOC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)Cl)[O-])C(F)(F)F","ZITCPUXWBHEWPV-UHFFFAOYSA-N",54613001,NA,"PDBC36338","749071","Present",NA,NA
+"36339","Ethyl 7-fluoro-3-hydroxy-6-morpholino-quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-fluoro-3-hydroxy-6-morpholino-quinoxaline-2-carboxylate",NA,"CCOC(=O)C1=NC2=CC(=C(C=C2NC1=O)N3CCOCC3)F","FBTVVEKZLLDXHN-UHFFFAOYSA-N",391195,NA,"PDBC36339","690028","Present",NA,NA
+"36340","Ethyl 7-hydroxy-2-oxido-3a,4,5,6-tetrahydro-1,2-benzoxazol-2-ium-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Aza-9-ethoxycarbonyl-5-hydroxy-7-oxabicyclo[4.3.0.]non...",NA,"CCOC(=O)C1=[N+](OC2=C(CCCC21)O)[O-]","AQWYBGVONYNHMP-UHFFFAOYSA-N",390773,NA,"PDBC36340","688536","Present",NA,NA
+"36341","Ethyl 7-imino-1,7a-dimethyl-3-oxo-2-phenyl-pyrazolo[4,3-b]pyridine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-imino-1,7a-dimethyl-3-oxo-2-phenyl-pyrazolo[3,4-e]pyridine-6-carboxylate",NA,"CCOC(=O)C1=CN=C2C(=O)N(N(C2(C1=N)C)C)C3=CC=CC=C3","UIBXAQXPAUVAON-UHFFFAOYSA-N",390261,NA,"PDBC36341","687553","Present",NA,NA
+"36342","Ethyl 7-methoxy-3-methyl-5-[methylsulfonyl(prop-2-enyl)amino]-4-nitro-1H-indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5-(allyl-methylsulfonyl-amino)-7-methoxy-3-methyl-4-nitro-1h-indole-2-carboxylate",NA,"CCOC(=O)C1=C(C2=C(C(=CC(=C2N1)OC)N(CC=C)S(=O)(=O)C)[N+](=O)[O-])C","HRJYYHQVAQXJIM-UHFFFAOYSA-N",396977,NA,"PDBC36342","704214","Present",NA,NA
+"36343","Ethyl 7-methoxybenzo[d]imidazo[2,1-b]thiazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000137",NA,"CCOC(=O)C1=CN2C3=C(C=C(C=C3)OC)SC2=N1","UHKUIINEEJIQHE-UHFFFAOYSA-N",394240,NA,"PDBC36343","697569","Present",NA,NA
+"36344","Ethyl 7-methyl-1-(4-methylphenyl)-8,9a-diphenyl-5,6,7,9a-tetrahydro-1H-[1,2,4]triazolo[4,3-d][1,4]diazepine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-methyl-1-(4-methylphenyl)-8,9a-diphenyl-5,6-dihydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-3-carboxylate",NA,"CCOC(=O)C1=NN(C2(N1CCN(C(=C2)C3=CC=CC=C3)C)C4=CC=CC=C4)C5=CC=C(C=C5)C","RMCQZPKWOCRAEJ-UHFFFAOYSA-N",388289,NA,"PDBC36344","682930","Present",NA,NA
+"36345","Ethyl 7-methyl-8-(2-methylpropyl)-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-methyl-8-(2-methylpropyl)-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=CN3)CC(C)C)C","IBBPIUWPHWPFDW-UHFFFAOYSA-N",24205837,NA,"PDBC36345","736912","Present",NA,NA
+"36346","Ethyl 7-nitro-9H-fluorene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 7-nitro-9H-fluorene-2-carboxylate",NA,"CCOC(=O)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)[N+](=O)[O-]","SJHIRUANUBZSJK-UHFFFAOYSA-N",270691,NA,"PDBC36346","113323","Present",NA,NA
+"36347","Ethyl 8,9-dimethyl-3,4,6,7-tetrahydro-2H-1,5-dithionine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 8,9-dimethyl-3,4,6,7-tetrahydro-2H-1,5-dithionine-6-carboxylate",NA,"CCOC(=O)C1CC(=C(SCCCS1)C)C","LDZFDXQFIMYMNE-KTKRTIGZSA-N",3004986,NA,"PDBC36347","666413","Present",NA,NA
+"36348","Ethyl 8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 8-(3,5-dimethoxybenzyl)-5,8-dihydro-4H-isoxazolo[4...",NA,"CCOC(=O)C1=CC2=C(N1CC3=CC(=CC(=C3)OC)OC)C4=C(CC2)C=NO4","FPWPTPWEKQDWRR-UHFFFAOYSA-N",60148305,NA,"PDBC36348","754111","Present",NA,NA
+"36349","Ethyl 8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 8-(3-methoxybenzyl)-5,8-dihydro-4H-isoxazolo[4,5-g...",NA,"CCOC(=O)C1=CC2=C(N1CC3=CC(=CC=C3)OC)C4=C(CC2)C=NO4","PZWHDUHHNPDBRO-UHFFFAOYSA-N",60148303,NA,"PDBC36349","754109","Present",NA,NA
+"36350","Ethyl 8-(4-chlorophenyl)-4-methyl-2-oxo-6-(2-thienyl)-4a,7-dihydrochromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl-8-(4-chlorophenyl)-4-methyl-2-oxo-6-(thiophen-2-yl...",NA,"CCOC(=O)C1=C(C2C=C(CC(=C2OC1=O)C3=CC=C(C=C3)Cl)C4=CC=CS4)C","RLBODWIUAGVFRL-UHFFFAOYSA-N",392311,NA,"PDBC36350","692587","Present",NA,NA
+"36351","Ethyl 8-[(2,4-dichlorophenyl)methyl]-5-[(dimethylamino)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 8-[(2,4-dichlorophenyl)methyl]-5-[(dimethylamino)methyl]-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate;hydrochloride",NA,"CCOC(=O)C1=C(N(C2=C3C(=C(C(=C12)CN(C)C)O)NC=N3)CC4=C(C=C(C=C4)Cl)Cl)C.Cl","SHBJLMOUNLFPAI-UHFFFAOYSA-N",24205841,NA,"PDBC36351","736916","Present",NA,NA
+"36352","Ethyl 8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 8-[(2,4-dichlorophenyl)methyl]-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=CN3)CC4=C(C=C(C=C4)Cl)Cl)C","MTQFAKHLRPTCBD-UHFFFAOYSA-N",24205839,NA,"PDBC36352","736914","Present",NA,NA
+"36353","Ethyl 8-benzyl-5,5-dimethyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[[2-[[2-(benzyloxycarbonylamino)-2-methyl-propanoyl]amino]-3-phenyl-propanoyl]amino]acetate",NA,"CCOC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)OCC2=CC=CC=C2","NPZZUWMDCKICMF-UHFFFAOYSA-N",382212,NA,"PDBC36353","669670","Present",NA,NA
+"36354","Ethyl 8-benzyl-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 8-benzyl-5,8-dihydro-4H-isoxazolo[4,5-g]indole-7-c...",NA,"CCOC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C4=C(CC2)C=NO4","KKXUUZXDIQZJJR-UHFFFAOYSA-N",60148299,NA,"PDBC36354","754105","Present",NA,NA
+"36355","Ethyl 8-benzyl-5-methyl-3-oxa-4,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,5,7(11),9,12,14-hexaene-14-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 8-benzyl-5-methyl-3-oxa-4,8,15-triazatetracyclo[10.3.0.02,6.07,11]pentadeca-1,5,7(11),9,12,14-hexaene-14-carboxylate",NA,"CCOC(=O)C1=NC2=C3C(=C(NO3)C)C4=C(C2=C1)C=CN4CC5=CC=CC=C5","ZSWSWFPCRRSDMQ-UHFFFAOYSA-N",393279,NA,"PDBC36355","694945","Present",NA,NA
+"36356","Ethyl 8-benzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 8-benzyl-7-methyl-4,5-dioxo-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=C2N=CN3)CC4=CC=CC=C4)C","QKHWCZLTFLEUJH-UHFFFAOYSA-N",24205838,NA,"PDBC36356","736913","Present",NA,NA
+"36357","Ethyl 8-chloro-2,3-dihydrofuro[3,2-c]quinoline-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 8-chloro-2,3-dihydrofuro[3,2-c]quinoline-4-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)Cl)C3=C1CCO3","KLVNKYNYMFKWAC-UHFFFAOYSA-N",370193,NA,"PDBC36357","642934","Present",NA,NA
+"36358","Ethyl 8-ethyl-1,1,5-trioxo-2,3-dihydrothieno[3,2-g]quinoline-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 8-ethyl-5-oxo-2,3,5,8-tetrahydrothieno[3,2-g]quinoline-6-carboxylate 1,1-dioxide",NA,"CCN1C=C(C(=O)C2=C1C=C3C(=C2)CCS3(=O)=O)C(=O)OCC","HKJXDPJBIHGKNI-UHFFFAOYSA-N",376960,NA,"PDBC36358","658160","Present",NA,NA
+"36359","Ethyl 8-methoxy-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 8-methoxy-2-phenylimidazo[1,2-a]pyrazine-3-carboxylate",NA,"CCOC(=O)C1=C(N=C2N1C=CN=C2OC)C3=CC=CC=C3","UMVSNCJSEKJWAG-UHFFFAOYSA-N",383013,NA,"PDBC36359","670997","Present",NA,NA
+"36360","Ethyl 8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 8-methoxy-4,5-dihydro-3H-naphtho[1,8-bc]furan-2-carboxylate",NA,"CCOC(=O)C1=C2CCCC3=C2C(=C(C=C3)OC)O1","QOJOVOVSEAKREE-UHFFFAOYSA-N",361662,NA,"PDBC36360","624880","Present",NA,NA
+"36361","Ethyl 8-nitro-2,3-dihydrofuro[3,2-c]quinoline-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 8-nitro-2,3-dihydrofuro[3,2-c]quinoline-4-carboxylate",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])C3=C1CCO3","SPIVIUJJRXFLFG-UHFFFAOYSA-N",370192,NA,"PDBC36361","642933","Present",NA,NA
+"36362","Ethyl 9,14-dihydroxy-15-(4-methoxyphenyl)-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 9,14-dihydroxy-15-(4-methoxyphenyl)-16-methyl-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)C5=CC=C(C=C5)OC)C","NVVGAJNQIPUFSH-UHFFFAOYSA-N",404601,NA,"PDBC36362","720993","Present",NA,NA
+"36363","Ethyl 9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 9,14-dihydroxy-16-methyl-15-(4-methylphenyl)-2,11-dioxo-15-azatetracyclo[8.7.0.01,14.03,8]heptadeca-3,5,7,9,12,16-hexaene-17-carboxylate",NA,"CCOC(=O)C1=C(N(C2(C13C(=C(C4=CC=CC=C4C3=O)O)C(=O)C=C2)O)C5=CC=C(C=C5)C)C","NGPZXSYROLDHLM-UHFFFAOYSA-N",405341,NA,"PDBC36363","722564","Present",NA,NA
+"36364","Ethyl 9,9,12-trimethyl-9,12-dihydrofuro[4,3,2-mn]pyrano[2,3-c]acridine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 5,5,19-trimethyl-6,10-dioxa-19-azapentacyclo[10.7.1.02,7.09,20.013,18]icosa-1(20),2(7),3,8,11,13,15,17-octaene-11-carboxylate",NA,"CCOC(=O)C1=C2C3=CC=CC=C3N(C4=C2C(=CC5=C4C=CC(O5)(C)C)O1)C","KFCITKIECFELNF-UHFFFAOYSA-N",392635,NA,"PDBC36364","693215","Present",NA,NA
+"36365","Ethyl 9-benzyl-5-hydroxy-2,3-dimethyl-8-(morpholin-4-ylmethyl)pyrrolo[2,3-f]quinoxaline-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 9-benzyl-5-hydroxy-2,3-dimethyl-8-(morpholin-4-ylmethyl)pyrrolo[2,3-f]quinoxaline-7-carboxylate",NA,"CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)N=C(C(=N3)C)C)CC4=CC=CC=C4)CN5CCOCC5","WGRGAEMKXAQUEJ-UHFFFAOYSA-N",135426817,NA,"PDBC36365","720179","Present",NA,NA
+"36366","Ethyl 9-hydroxy-7H-pyrrolo[1,2-a]perimidine-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 9-hydroxy-7H-pyrrolo[1,2-a]perimidine-8-carboxylate",NA,"CCOC(=O)C1=C2NC3=CC=CC4=C3C(=CC=C4)N2C=C1O","NYYPQGQVKYEWPE-UHFFFAOYSA-N",394283,NA,"PDBC36366","697649","Present",NA,NA
+"36367","Ethyl 9-methyl-5-oxo-4-oxa-2,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),6,11,13-pentaene-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 9-methyl-5-oxo-4-oxa-2,9,11-triazatricyclo[8.4.0.03,8]tetradeca-1(10),3(8),6,11,13-pentaene-7-carboxylate",NA,"CCOC(=O)C1=CC(=O)OC2=C1N(C3=C(N2)C=CC=N3)C","CCGIRUWCWAQNEO-UHFFFAOYSA-N",395143,NA,"PDBC36367","699434","Present",NA,NA
+"36368","Ethyl 9-oxo-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazine-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 9-oxo-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazine-10-carboxylate",NA,"CCOC(=O)C1=NN2C3=C(C=CC4=CC=CC=C43)SC2=NC1=O","UEHLRINSHPMMEN-UHFFFAOYSA-N",364999,NA,"PDBC36368","631908","Present",NA,NA
+"36369","Ethyl N,N-di(propan-2-yl)-N'-(trifluoromethylsulfonyl)carbamimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N,N-di(propan-2-yl)-N'-(trifluoromethylsulfonyl)carbamimidate",NA,"CCOC(=NS(=O)(=O)C(F)(F)F)N(C(C)C)C(C)C","MSDQFYOZKKTPEN-NTEUORMPSA-N",9572154,NA,"PDBC36369","705597","Present",NA,NA
+"36370","Ethyl N-(1-cyclohexyl-2,4-dioxopyrimidine-5-carbonyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl[(1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2CCCCC2","DKCNIRWUYNCKKU-UHFFFAOYSA-N",364812,NA,"PDBC36370","631571","Present",NA,NA
+"36371","Ethyl N-(1-methoxy-5-methyl-2-bicyclo[2.2.2]oct-5-enyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(1-methoxy-5-methyl-2-bicyclo[2.2.2]oct-5-enyl)carbamate",NA,"CCOC(=O)NC1CC2CCC1(C=C2C)OC","YFKPGKXAIMOLCG-UHFFFAOYSA-N",357757,NA,"PDBC36371","617278","Present",NA,NA
+"36372","Ethyl N-(1-phenylethylcarbamothioyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(1-phenylethylcarbamothioyl)carbamate",NA,"CCOC(=O)NC(=S)NC(C)C1=CC=CC=C1","TUUBYWOSNQKXRV-UHFFFAOYSA-N",3005220,NA,"PDBC36372","683851","Present",NA,NA
+"36373","Ethyl N-(3-benzyl-1,2,4-triazol-4-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(3-benzyl-1,2,4-triazol-4-yl)carbamate",NA,"CCOC(=O)NN1C=NN=C1CC2=CC=CC=C2","YGGRQFHITPISEJ-UHFFFAOYSA-N",387575,NA,"PDBC36373","681532","Present",NA,NA
+"36374","Ethyl N-(3-cyano-4-phenyl-1H-pyrrol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(3-cyano-4-phenyl-1H-pyrrol-2-yl)carbamate",NA,"CCOC(=O)NC1=C(C(=CN1)C2=CC=CC=C2)C#N","LFNHGADCOOVAMU-UHFFFAOYSA-N",392112,NA,"PDBC36374","691984","Present",NA,NA
+"36375","Ethyl N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(3-cyano-5-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamate",NA,"CCOC(=O)NC1=C(C2=C(S1)CCC(C2)C)C#N","SKEPCWKFHZFMHJ-UHFFFAOYSA-N",402543,NA,"PDBC36375","716567","Present",NA,NA
+"36376","Ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(3-methyl-1,2,4-triazol-4-yl)carbamate",NA,"CCOC(=O)NN1C=NN=C1C","BIFCWZRVTIIPAU-UHFFFAOYSA-N",387574,NA,"PDBC36376","681531","Present",NA,NA
+"36377","Ethyl N-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(3-methyl-5-phenyl-1,2,4-triazol-4-yl)carbamate",NA,"CCOC(=O)NN1C(=NN=C1C2=CC=CC=C2)C","CFJKUDDVEASFIJ-UHFFFAOYSA-N",387576,NA,"PDBC36377","681533","Present",NA,NA
+"36378","Ethyl N-(4-hydroxynaphthalene-1-carbothioyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(4-hydroxynaphthalene-1-carbothioyl)carbamate",NA,"CCOC(=O)NC(=S)C1=CC=C(C2=CC=CC=C21)O","NHMSSUPUELKLPU-UHFFFAOYSA-N",135426705,NA,"PDBC36378","710013","Present",NA,NA
+"36379","Ethyl N-(5-amino-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, (5-amino-1,2-dihydro-3-phenylpyrido[3,4-b...",NA,"CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=CC=C3)N","RLHKYVHZNZMLRH-UHFFFAOYSA-N",54888,NA,"PDBC36379","330770","Present",NA,NA
+"36380","Ethyl N-(5-ethoxy-1,3-benzothiazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Ethoxy-benzothiazol-2-yl-carbamic acid ethyl ester",NA,"CCOC1=CC2=C(C=C1)SC(=N2)NC(=O)OCC","DQDISJUNLGDDAK-UHFFFAOYSA-N",155811246,NA,"PDBC36380","764934","Present",NA,NA
+"36381","Ethyl N-(6,7-dichloro-3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(6,7-dichloro-3-cyano-1,4-dioxidoquinoxaline-1,4-diium-2-yl)carbamate",NA,"CCOC(=O)NC1=[N+](C2=CC(=C(C=C2[N+](=C1C#N)[O-])Cl)Cl)[O-]","DASAVNHJBPMDCD-UHFFFAOYSA-N",135426809,NA,"PDBC36381","719370","Present",NA,NA
+"36382","Ethyl N-(6-methoxy-1,3-benzothiazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Methoxy-benzothiazol-2-yl-carbamic acid ethyl ester",NA,"CCOC(=O)NC1=NC2=C(S1)C=C(C=C2)OC","GHIRUMJDKBOSME-UHFFFAOYSA-N",596982,NA,"PDBC36382","764928","Present",NA,NA
+"36383","Ethyl N-(ethoxycarbonylamino)-N-(2,4,6-trimethylphenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(ethoxycarbonylamino)-N-(2,4,6-trimethylphenyl)carbamate",NA,"CCOC(=O)NN(C1=C(C=C(C=C1C)C)C)C(=O)OCC","CEDACHUJMAIJLA-UHFFFAOYSA-N",392316,NA,"PDBC36383","692592","Present",NA,NA
+"36384","Ethyl N-(thiophen-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-(thiophen-2-ylmethyl)-N-(3,4,5-trimethoxyphenyl)carbamate",NA,"CCOC(=O)N(CC1=CC=CS1)C2=CC(=C(C(=C2)OC)OC)OC","ASLOELGYAKDINH-UHFFFAOYSA-N",403779,NA,"PDBC36384","719252","Present",NA,NA
+"36385","Ethyl N-[(4-chlorophenyl)-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]carbamothioyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[(4-chlorophenyl)-[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl]carbamothioyl]carbamate",NA,"CCOC(=O)NC(=S)N(CC(=O)C1=CC(=C(C(=C1)OC)OC)OC)C2=CC=C(C=C2)Cl","GXNVLVBMLQNWEU-UHFFFAOYSA-N",45027996,NA,"PDBC36385","740535","Present",NA,NA
+"36386","Ethyl N-[(7-chloro-2-methylsulfanyl-4,5-dioxo-3H-pyrano[3,4-e][1,3]oxazin-2-yl)amino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[(7-chloro-2-methylsulfanyl-4,5-dioxo-3H-pyrano[3,4-e][1,3]oxazin-2-yl)amino]carbamate",NA,"CCOC(=O)NNC1(NC(=O)C2=C(O1)C=C(OC2=O)Cl)SC","NBHPEOLVWKJOSN-UHFFFAOYSA-N",396374,NA,"PDBC36386","702323","Present",NA,NA
+"36387","Ethyl N-[(7S)-3-hydroxy-1,2-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [5,6,7,9-tetrahydro-3-hydroxy-1,2-dimetho...",NA,"CCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O","ADERDEOPUPHMEJ-HNNXBMFYSA-N",341883,NA,"PDBC36387","376251","Present",NA,NA
+"36388","Ethyl N-[(E)-1-(hydroxyamino)propylideneamino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680865",NA,"CCC(=NNC(=O)OCC)NO","YXDSKVQFKOGLLS-UHFFFAOYSA-N",6399359,NA,"PDBC36388","680865","Present",NA,NA
+"36389","Ethyl N-[(E)-4-(oxan-2-yloxy)but-2-enyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[(E)-4-(oxan-2-yloxy)but-2-enyl]carbamate",NA,"CCOC(=O)NCC=CCOC1CCCCO1","ZTYFPTWEAYWQBJ-GQCTYLIASA-N",5387032,NA,"PDBC36389","619931","Present",NA,NA
+"36390","Ethyl N-[(E)-4-hydroxybut-2-enyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[(E)-4-hydroxybut-2-enyl]carbamate",NA,"CCOC(=O)NCC=CCO","PYFSHSLWJJRPKR-ONEGZZNKSA-N",5387031,NA,"PDBC36390","619930","Present",NA,NA
+"36391","Ethyl N-[1-(3-hydroxypropyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-(3-hydroxypropyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCCO","YDWNQJMCODBESP-UHFFFAOYSA-N",368822,NA,"PDBC36391","640090","Present",NA,NA
+"36392","Ethyl N-[1-[2-(2-hydroxyethylamino)ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[2-(2-hydroxyethylamino)ethyl]-2,4-dioxo-pyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCNCCO","BOFZDORIISKVEE-UHFFFAOYSA-N",361688,NA,"PDBC36392","624907","Present",NA,NA
+"36393","Ethyl N-[1-[2-[4-[12-[4-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazin-1-yl]-12-oxododecanoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[2-[4-[12-[4-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazin-1-yl]-12-oxododecanoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C(=O)CCCCCCCCCCC(=O)N3CCN(CC3)CCN4C=C(C(=O)NC4=O)C(=O)NC(=O)OCC","QVTYPMQQRMOTSW-UHFFFAOYSA-N",363616,NA,"PDBC36393","628629","Present",NA,NA
+"36394","Ethyl N-[1-[2-[4-[6-[[4-[2-[3-[2-(diethylamino)ethyl]-5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-3-(3-ethylpentyl)-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[2-[4-[6-[[4-[2-[3-[2-(diethylamino)ethyl]-5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-3-(3-ethylpentyl)-2,4-d",NA,"CCC(CC)CCN1C(=O)C(=CN(C1=O)CCN2CCN(CC2)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C=C(C(=O)N(C4=O)CCN(CC)CC)C(=O)NC(=O)OCC)C(=O)NC(=O)OCC","IEOMKHDUUIKQIU-UHFFFAOYSA-N",363778,NA,"PDBC36394","628990","Present",NA,NA
+"36395","Ethyl N-[1-[2-[4-[6-[[4-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[2-[4-[6-[[4-[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl]piperazine-1-carbonyl]amino]hexylcarbamoyl]piperazin-1-yl]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C(=O)NCCCCCCNC(=O)N3CCN(CC3)CCN4C=C(C(=O)NC4=O)C(=O)NC(=O)OCC","XNEBUJDJMFFWBC-UHFFFAOYSA-N",361367,NA,"PDBC36395","624393","Present",NA,NA
+"36396","Ethyl N-[1-[2-[6-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[2-[6-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]ethyl-(2-hydroxyethyl)carbamoyl]amino]hexylcarbamoyl-(2-hydroxyethyl)amino]ethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN(CCO)C(=O)NCCCCCCNC(=O)N(CCN2C=C(C(=O)NC2=O)C(=O)NC(=O)OCC)CCO","DHQHODFGABDXEC-UHFFFAOYSA-N",361366,NA,"PDBC36396","624392","Present",NA,NA
+"36397","Ethyl N-[1-[2-[[2-[[2-[3-[4-[3-[[2-[[2-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]acetyl]amino]acetyl]amino]propyl]piperazin-1-yl]propylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]-2,4-dioxopyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[1-[2-[[2-[[2-[3-[4-[3-[[2-[[2-[[2-[5-(ethoxycarbonylcarbamoyl)-2,4-dioxopyrimidin-1-yl]acetyl]amino]acetyl]amino]acetyl]amino]propyl]piperazin-1-yl]propylamino]-2-oxoethyl]amino]-2-oxoethyl]a",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CC(=O)NCC(=O)NCC(=O)NCCCN2CCN(CC2)CCCNC(=O)CNC(=O)CNC(=O)CN3C=C(C(=O)NC3=O)C(=O)NC(=O)OCC","FKXGNYAKHNAEET-UHFFFAOYSA-N",362556,NA,"PDBC36397","626638","Present",NA,NA
+"36398","Ethyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[2,4-dioxo-1-(2-piperazin-1-ylethyl)pyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCNCC2","KSCGCLBSVCNVTI-UHFFFAOYSA-N",361686,NA,"PDBC36398","624905","Present",NA,NA
+"36399","Ethyl N-[2,4-dioxo-1-[2-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]pyrimidine-5-carbonyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[2,4-dioxo-1-[2-[4-(7H-purin-6-yl)piperazin-1-yl]ethyl]pyrimidine-5-carbonyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C3=NC=NC4=C3NC=N4","UVORGMAGKSQHDP-UHFFFAOYSA-N",362258,NA,"PDBC36399","625870","Present",NA,NA
+"36400","Ethyl N-[2-(4-chlorophenyl)-1-imidazolidin-2-ylidene-2-oxoethyl]-N-(ethoxycarbonylamino)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[2-(4-chlorophenyl)-1-imidazolidin-2-ylidene-2-oxoethyl]-N-(ethoxycarbonylamino)carbamate",NA,"CCOC(=O)NN(C(=C1NCCN1)C(=O)C2=CC=C(C=C2)Cl)C(=O)OCC","MIRABSKTAANZJE-UHFFFAOYSA-N",359001,NA,"PDBC36400","619213","Present",NA,NA
+"36401","Ethyl N-[2-(4-chlorophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[2-(4-chlorophenyl)sulfanyl-1,3-benzothiazol-6-yl]carbamate",NA,"CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)SC3=CC=C(C=C3)Cl","AMNADWIXFLTXEV-UHFFFAOYSA-N",321836,NA,"PDBC36401","275971","Present",NA,NA
+"36402","Ethyl N-[2-(cyclohexen-1-yl)-1-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-morpholin-4-ylethenyl]-N-(ethoxycarbonylamino)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[2-(cyclohexen-1-yl)-1-[ethoxycarbonyl-(ethoxycarbonylamino)amino]-2-morpholin-4-ylethenyl]-N-(ethoxycarbonylamino)carbamate",NA,"CCOC(=O)NN(C(=C(C1=CCCCC1)N2CCOCC2)N(C(=O)OCC)NC(=O)OCC)C(=O)OCC","HREDGXZQPPTSPU-UHFFFAOYSA-N",379769,NA,"PDBC36402","664743","Present",NA,NA
+"36403","Ethyl N-[2-[(ethoxycarbonylamino)carbamoylamino]ethylcarbamoylamino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diethyl 4,9-dioxo-2,3,5,8,10,11-hexaazadodecane-1,12-dioate",NA,"CCOC(=O)NNC(=O)NCCNC(=O)NNC(=O)OCC","JZJLOUGLJASFCL-UHFFFAOYSA-N",392329,NA,"PDBC36403","692605","Present",NA,NA
+"36404","Ethyl N-[2-[6-(2,3-dimethoxyphenyl)-5-oxocyclohex-3-en-1-yl]ethyl]-N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[2-[6-(2,3-dimethoxyphenyl)-5-oxocyclohex-3-en-1-yl]ethyl]-N-methylcarbamate",NA,"CCOC(=O)N(C)CCC1CC=CC(=O)C1C2=C(C(=CC=C2)OC)OC","AJAAQOHUYRMIAX-UHFFFAOYSA-N",398844,NA,"PDBC36404","708981","Present",NA,NA
+"36405","Ethyl N-[3-(cyanomethyl)-5-methyl-1,2,4-triazol-4-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-(cyanomethyl)-5-methyl-4H-1,2,4-triazol-4-ylcarbamate",NA,"CCOC(=O)NN1C(=NN=C1CC#N)C","LCUMCLBODWSNGD-UHFFFAOYSA-N",386453,NA,"PDBC36405","678482","Present",NA,NA
+"36406","Ethyl N-[3-benzyl-5-(cyanomethyl)-1,2,4-triazol-4-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 3-benzyl-5-(cyanomethyl)-4H-1,2,4-triazol-4-ylcarbamate",NA,"CCOC(=O)NN1C(=NN=C1CC2=CC=CC=C2)CC#N","CPKVAVZHZRXPQV-UHFFFAOYSA-N",386454,NA,"PDBC36406","678483","Present",NA,NA
+"36407","Ethyl N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[4-(1,2,4-triazol-4-ylsulfamoyl)phenyl]carbamate",NA,"CCOC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2C=NN=C2","WLJKCPIOUKNTGL-UHFFFAOYSA-N",404503,NA,"PDBC36407","720740","Present",NA,NA
+"36408","Ethyl N-[4-(10-methyl-3-phenyl-4H-indolo[3,2,3]triazolo [1,5-a]pyrimidin-4-yl)butanoyl]glycinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[4-(10-methyl-3-phenyl-4H-indolo[3,2-e][1,2,3]tr...",NA,"CCOC(=O)CNC(=O)CCCN1C2=C(N=NN2C3=C(C1=O)C4=CC=CC=C4N3C)C5=CC=CC=C5","WRRZPXGZABTAFS-UHFFFAOYSA-N",24205302,NA,"PDBC36408","734977","Present",NA,NA
+"36409","Ethyl N-[4-(6-trifluoromethylquinoxalin-2-yl)aminobenzoyl]-N'-pipe ridyl-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[4-(6-trifluoromethylquinoxalin-2-yl)aminobenzoy...",NA,"CCOC(=O)C1CCCCN1C(=O)C2=CC=C(C=C2)NC3=CN=C4C=C(C=CC4=N3)C(F)(F)F","PUQFMDQADADNJP-UHFFFAOYSA-N",406627,NA,"PDBC36409","724867","Present",NA,NA
+"36410","Ethyl N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[4-[(E)-3-phenylprop-2-enoyl]phenyl]carbamate",NA,"CCOC(=O)NC1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2","VOVUAZLJXBOTCE-MDWZMJQESA-N",5774635,NA,"PDBC36410","31703","Present",NA,NA
+"36411","Ethyl N-[4-[(ethoxycarbonylamino)carbamoylamino]butylcarbamoylamino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[4-[(ethoxycarbonylamino)carbamoylamino]butylcarbamoylamino]carbamate",NA,"CCOC(=O)NNC(=O)NCCCCNC(=O)NNC(=O)OCC","OFLOHRWYAIBYGR-UHFFFAOYSA-N",392327,NA,"PDBC36411","692603","Present",NA,NA
+"36412","Ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[6-[6-[8-(ethoxycarbonylamino)phenanthridin-6-yl]hexyl]phenanthridin-8-yl]carbamate",NA,"CCOC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3N=C2CCCCCCC4=NC5=CC=CC=C5C6=C4C=C(C=C6)NC(=O)OCC","CADACECZEDSKRC-UHFFFAOYSA-N",381651,NA,"PDBC36412","668470","Present",NA,NA
+"36413","Ethyl N-[[2-[[(ethoxycarbonylamino)carbamoylamino]methyl]phenyl]methylcarbamoylamino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[[2-[[(ethoxycarbonylamino)carbamoylamino]methyl]phenyl]methylcarbamoylamino]carbamate",NA,"CCOC(=O)NNC(=O)NCC1=CC=CC=C1CNC(=O)NNC(=O)OCC","ALFMMEVYGSEKEF-UHFFFAOYSA-N",392315,NA,"PDBC36413","692591","Present",NA,NA
+"36414","Ethyl N-[[3-[[(ethoxycarbonylamino)carbamoylamino]methyl]phenyl]methylcarbamoylamino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[[3-[[(ethoxycarbonylamino)carbamoylamino]methyl]phenyl]methylcarbamoylamino]carbamate",NA,"CCOC(=O)NNC(=O)NCC1=CC(=CC=C1)CNC(=O)NNC(=O)OCC","KRWARUVXLIYIAC-UHFFFAOYSA-N",392330,NA,"PDBC36414","692606","Present",NA,NA
+"36415","Ethyl N-[[ethoxy-[ethoxycarbonylcarbamothioyl(methyl)amino]phosphinothioyl]-methyl-carbamothioyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-[[ethoxy-[ethoxycarbonylcarbamothioyl(methyl)amino]phosphinothioyl]-methylcarbamothioyl]carbamate",NA,"CCOC(=O)NC(=S)N(C)P(=S)(N(C)C(=S)NC(=O)OCC)OCC","QWSYRHDNFVYOSL-UHFFFAOYSA-N",3005249,NA,"PDBC36415","686490","Present",NA,NA
+"36416","Ethyl N-ethyl-N-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-ethyl-N-[2-oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]carbamate",NA,"CCN(C1=C(C=C(NC1=O)C2=CC=CC=C2)C(F)(F)F)C(=O)OCC","MCMOXMOETHCJQP-UHFFFAOYSA-N",397737,NA,"PDBC36416","706160","Present",NA,NA
+"36417","Ethyl N-fluoranthen-3-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl fluoranthen-3-ylcarbamate",NA,"CCOC(=O)NC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43","GJAJDMJVIYHOBG-UHFFFAOYSA-N",256431,NA,"PDBC36417","83300","Present",NA,NA
+"36418","Ethyl N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl N-hydroxy-N-[4-[(E)-2-phenylethenyl]phenyl]carbamate",NA,"CCOC(=O)N(C1=CC=C(C=C1)C=CC2=CC=CC=C2)O","BRVVBAZNCCXLPO-CMDGGOBGSA-N",6304618,NA,"PDBC36418","112960","Present",NA,NA
+"36419","Ethyl S-[chloro(dimethyl)stannyl]cysteinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Cysteine, S-(chlorodimethylstannyl)-, ethyl ester",NA,"CCOC(=O)C(CS[Sn](C)(C)Cl)N","NXHPXLRXSGCGLY-UHFFFAOYSA-L",332556,NA,"PDBC36419","329881","Present",NA,NA
+"36420","Ethyl [(2,3-dimethylphenyl)amino](oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK003319",NA,"CCOC(=O)C(=O)NC1=CC=CC(=C1C)C","LIWCLPVEXCUDCZ-UHFFFAOYSA-N",366797,NA,"PDBC36420","635569","Present",NA,NA
+"36421","Ethyl [(2,4-dimethylphenyl)amino](oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HTS004581",NA,"CCOC(=O)C(=O)NC1=C(C=C(C=C1)C)C","CLTBVQYEWKUNFO-UHFFFAOYSA-N",366463,NA,"PDBC36421","634923","Present",NA,NA
+"36422","Ethyl [(2-ethoxyphenyl)amino](oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HTS004593",NA,"CCOC1=CC=CC=C1NC(=O)C(=O)OCC","KYQHLNQTKJTCKZ-UHFFFAOYSA-N",366179,NA,"PDBC36422","634506","Present",NA,NA
+"36423","Ethyl [(2-ethylphenyl)amino](oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK092829",NA,"CCC1=CC=CC=C1NC(=O)C(=O)OCC","YZIPUQIUGPKDOM-UHFFFAOYSA-N",366180,NA,"PDBC36423","634507","Present",NA,NA
+"36424","Ethyl [(2-methylphenyl)amino](oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-016148",NA,"CCOC(=O)C(=O)NC1=CC=CC=C1C","OVFYTRYWFURUJL-UHFFFAOYSA-N",366755,NA,"PDBC36424","635528","Present",NA,NA
+"36425","Ethyl [(3-chloro-2-methylphenyl)amino](oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HTS004578",NA,"CCOC(=O)C(=O)NC1=C(C(=CC=C1)Cl)C","JBPNCPVTNOZJMQ-UHFFFAOYSA-N",366465,NA,"PDBC36425","634925","Present",NA,NA
+"36426","Ethyl [(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl [(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] carbonate",NA,"CCOC(=O)ON=C1C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O","QMJLLDUREFASGX-CJLVFECKSA-N",135436297,NA,"PDBC36426","717837","Present",NA,NA
+"36427","Ethyl [3-(benzyloxy)-5-oxo-7-oxabicyclo[2.2.1]hept-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl [3-(benzyloxy)-5-oxo-7-oxabicyclo[2.2.1]hept-2-yl]carbamate",NA,"CCOC(=O)NC1C2CC(=O)C(C1OCC3=CC=CC=C3)O2","IQQHHPWRSOVMNA-UHFFFAOYSA-N",368606,NA,"PDBC36427","639715","Present",NA,NA
+"36428","Ethyl [4-(3-hydroxy-2,4-dimethoxybenzoyl)-2,6-dimethoxyphenyl] carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl [4-(3-hydroxy-2,4-dimethoxy-benzoyl)-2,6-dimethoxy...",NA,"CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)C2=C(C(=C(C=C2)OC)O)OC)OC","JGAUFXFBWJQBOE-UHFFFAOYSA-N",155805381,NA,"PDBC36428","797556","Present",NA,NA
+"36429","Ethyl [5-(1H-pyrrol-1-ylmethyl)-1H-benzimidazol-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, N-[6-[(1H-pyrrol-1-yl)methyl]- 1-benzimid...",NA,"CCOC(=O)NC1=NC2=C(N1)C=C(C=C2)CN3C=CC=C3","XBJXAIXJEHJPKE-UHFFFAOYSA-N",368640,NA,"PDBC36429","639754","Present",NA,NA
+"36430","Ethyl alpha,gamma-diphenylacetoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-DIPHENYLACETOACETIC ACID, ETHYL ESTER",NA,"CCOC(=O)C(C1=CC=CC=C1)C(=O)CC2=CC=CC=C2","GVNHSMZHSWFYMB-UHFFFAOYSA-N",95325,NA,"PDBC36430","1970","Present",NA,NA
+"36431","Ethyl benzo[f]quinoline-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-62884",NA,"CCOC(=O)C1=CC2=C(C=CC=N2)C3=CC=CC=C31","KKIFEZVSOLDWFH-UHFFFAOYSA-N",356134,NA,"PDBC36431","611225","Present",NA,NA
+"36432","Ethyl cyano(7-hydroxy-3,4-dioxo-3,4-dihydro-1-naphthalenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl cyano(7-hydroxy-3,4-dioxo-3,4-dihydro-1-naphthalenyl)acetate",NA,"CCOC(=O)C(C#N)C1=CC(=O)C(=O)C2=C1C=C(C=C2)O","XAWSQDCNHMEUPJ-UHFFFAOYSA-N",356233,NA,"PDBC36432","611386","Present",NA,NA
+"36433","Ethyl gossypol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl gossypol",NA,"CCC1=C2C=C(C(=C(C2=C(C(=C1O)O)C(=O)C)O)C3=C(C4=C(C(=C(C(=C4C=C3C)CC)O)O)C(=O)C)O)C","HJXAEEAJDDNYSQ-UHFFFAOYSA-N",374353,NA,"PDBC36433","651925","Present",NA,NA
+"36434","Ethyl hydroxy(4-(3-methoxyphenyl)-1-methyl-2,5-dioxo-3-pyrrolidinylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl hydroxy(4-(3-methoxyphenyl)-1-methyl-2,5-dioxo-3-pyrrolidinylidene)acetate",NA,"CCOC(=O)C(=C1C(C(=O)N(C1=O)C)C2=CC(=CC=C2)OC)O","LWTSZQCUUWCQDE-OUKQBFOZSA-N",54685781,NA,"PDBC36434","626870","Present",NA,NA
+"36435","Ethyl linolenate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Linolenic Acid, ethyl ester",NA,"CCC=CCC=CCC=CCCCCCCCC(=O)OCC","JYYFMIOPGOFNPK-AGRJPVHOSA-N",5367460,NA,"PDBC36435","607760","Present",NA,NA
+"36436","Ethyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"half-myleran",NA,"CCOS(=O)(=O)C","PLUBXMRUUVWRLT-UHFFFAOYSA-N",6113,NA,"PDBC36436","26805","Present",NA,NA
+"36437","Ethyl methyl phenylcarbonodithioimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl methyl phenylcarbonodithioimidate",NA,"CCSC(=NC1=CC=CC=C1)SC","VHHYZVXKUOICQW-UHFFFAOYSA-N",232498,NA,"PDBC36437","30056","Present",NA,NA
+"36438","Ethyl methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-methylurethan",NA,"CCOC(=O)NC","SURZCVYFPAXNGN-UHFFFAOYSA-N",7752,NA,"PDBC36438","8836","Present",NA,NA
+"36439","Ethyl phenylpropiolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl phenylpropiolate",NA,"CCOC(=O)C#CC1=CC=CC=C1","ACJOYTKWHPEIHW-UHFFFAOYSA-N",91516,NA,"PDBC36439","41566","Present",NA,NA
+"36440","Ethyl red",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl red",NA,"CCN1C(=CC2=CC=[N+](C3=CC=CC=C23)CC)C=CC4=CC=CC=C41.[I-]","MYKATFBGLTVMQX-UHFFFAOYSA-M",25113351,NA,"PDBC36440","5491","Present",NA,NA
+"36441","Ethyl trimethylsilyldiazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UFHQFLKHMOOFIK-UHFFFAOYSA-N",NA,"CCOC(=O)C(=[N+]=[N-])[Si](C)(C)C","UFHQFLKHMOOFIK-UHFFFAOYSA-N",359329,NA,"PDBC36441","620114","Present",NA,NA
+"36442","Ethyl vanillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vanilal",NA,"CCOC1=C(C=CC(=C1)C=O)O","CBOQJANXLMLOSS-UHFFFAOYSA-N",8467,NA,"PDBC36442","1803","Present",NA,NA
+"36443","Ethyl violet",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl violet",NA,"CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=C(C=C3)N(CC)CC.[Cl-]","JVICFMRAVNKDOE-UHFFFAOYSA-M",16955,NA,"PDBC36443","8675","Present",NA,NA
+"36444","Ethyl {[2-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-2-methylhydrazino]carbonothioyl}carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl {[2-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)-2-methylhydrazino]carbonothioyl}carbamate",NA,"CCOC(=O)NC(=S)NN(C)C1=NCC(S1)(C)C","JLJRKLQSICAXDV-UHFFFAOYSA-N",3005357,NA,"PDBC36444","694571","Present",NA,NA
+"36445","Ethyl, prodigisine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl, methoxy, prodigisine",NA,"CCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C.Cl","OJIDHWPRHCQMKU-WPTDRQDKSA-N",135829283,NA,"PDBC36445","742418","Present",NA,NA
+"36446","Ethyl-(1-ethyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-(1-ethyltetrazol-5-yl)azanide;gold(1+);triphenylphosphanium",NA,"CC[N-]C1=NN=NN1CC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]","DUAIKJXTYBLOPL-UHFFFAOYSA-O",6333603,NA,"PDBC36446","274554","Present",NA,NA
+"36447","Ethyl-1-amino-5-{[1-methyl-5-nitro-1H-indol-2-yl) carbonyl] amino}-1H-indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-1-amino-5-{[1-methyl-5-nitro-1H-indol-2-yl) carbon...",NA,"CCOC(=O)C1=CC2=C(N1C)C=CC(=C2)NC(=O)C3=CC4=C(N3C)C=CC(=C4)[N+](=O)[O-]","AKIUCTJFIQCQLX-UHFFFAOYSA-N",24204472,NA,"PDBC36447","732001","Present",NA,NA
+"36448","Ethyl-1-{[{[3-(ethoxycarbonyl)-5-methyl-1H-pyrazol-1-yl]meth yl}(2-hydroxyethyl)amino]methyl}-5-methyl-1H-pyrazole-3-carb oxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl-1-{[{[3-(ethoxycarbonyl)-5-methyl-1H-pyrazol-1-yl]...",NA,"CCOC(=O)C1=NN(C(=C1)C)CN(CCO)CN2C(=CC(=N2)C(=O)OCC)C","WKXVJLYMWZRXIF-UHFFFAOYSA-N",404570,NA,"PDBC36448","720866","Present",NA,NA
+"36449","Ethyl-3-methoxy-4-hydroxy-alpha-benzoylcinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-3-methoxy-4-hydroxy-.alpha.-benzoylcinnamate",NA,"CCOC(=O)C(=CC1=CC(=C(C=C1)O)OC)C(=O)C2=CC=CC=C2","SBZMQKDOZQTPFA-PTNGSMBKSA-N",5935779,NA,"PDBC36449","643184","Present",NA,NA
+"36450","Ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-[10-[ethyl(dipyridin-2-yl)azaniumyl]decyl]-dipyridin-2-ylazanium;iodide",NA,"CC[N+](CCCCCCCCCC[N+](CC)(C1=CC=CC=N1)C2=CC=CC=N2)(C3=CC=CC=N3)C4=CC=CC=N4.[I-]","VZSPHRCKCNAPEQ-UHFFFAOYSA-M",24185840,NA,"PDBC36450","43684","Present",NA,NA
+"36451","Ethyl-alpha-benzoyl-3-methoxy-4-benzyloxylcinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-.alpha.-benzoyl-3-methoxy-4-benzyloxylcinnamate",NA,"CCOC(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC)C(=O)C3=CC=CC=C3","PQDGUFGMFCIZFM-JWGURIENSA-N",5922969,NA,"PDBC36451","643189","Present",NA,NA
+"36452","Ethyl-cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Cysteine, S-ethyl- (9CI)",NA,"CCSCC(C(=O)O)N","ULXKXLZEOGLCRJ-UHFFFAOYSA-N",30993,NA,"PDBC36452","49244","Present",NA,NA
+"36453","Ethyl-dimethyl-phenylphosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl-dimethyl-phenylphosphanium;bromide",NA,"CC[P+](C)(C)C1=CC=CC=C1.[Br-]","ARLQFHZNKGFAGK-UHFFFAOYSA-M",357577,NA,"PDBC36453","617057","Present",NA,NA
+"36454","Ethyl-diphenyl-(2-phenylethynyl)phosphanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, ethyldiphenyl(phenylethynyl)-, iodide",NA,"CC[P+](C#CC1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]","CNTKWJITYHAAQG-UHFFFAOYSA-M",386463,NA,"PDBC36454","678492","Present",NA,NA
+"36455","Ethylenediaminetetraacetic acid bis-(5-amino salicylic acid methyl ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethylenediaminetetraacetic acid bis-(5-amino salicylic a...",NA,"COC(=O)C1=C(C=CC(=C1)NC(=O)CN(CCN(CC(=O)NC2=CC(=C(C=C2)O)C(=O)OC)CC(=O)O)CC(=O)O)O","RZYSTUVAIIZHPV-UHFFFAOYSA-N",10077122,NA,"PDBC36455","742629","Present",NA,NA
+"36456","Ethylenediisothiouronium dibromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC25561",NA,"C(CSC(=N)N)SC(=N)N.Br","OORKAVOFOSBTAT-UHFFFAOYSA-N",12662870,NA,"PDBC36456","25561","Present",NA,NA
+"36457","Ethylenimine quinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chinon",NA,"C1CN1C2=CC(=O)C(=CC2=O)N3CC3","RCWJMKCTHJPXJV-UHFFFAOYSA-N",95715,NA,"PDBC36457","30706","Present",NA,NA
+"36458","Ethylester prodigiosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethylester prodigiosine",NA,"CCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C.Cl","DZGCLXNHZPGYSR-LFMIJCLESA-N",135540850,NA,"PDBC36458","742420","Present",NA,NA
+"36459","Ethylmethyloctadecylsulfonium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Ethylmethyl)octadecylsulfonium iodide",NA,"CCCCCCCCCCCCCCCCCC[S+](C)CC.[I-]","FWCAEZMYKRVMPH-UHFFFAOYSA-M",207332,NA,"PDBC36459","97372","Present",NA,NA
+"36460","Ethylparaben",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sobrol a",NA,"CCOC(=O)C1=CC=C(C=C1)O","NUVBSKCKDOMJSU-UHFFFAOYSA-N",8434,NA,"PDBC36460","8510","Present",NA,NA
+"36461","Ethylpropionatethio isosampangine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethylpropionatethio isosampangine",NA,"CCOC(=O)CCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","MWELEOLPOPGYPR-UHFFFAOYSA-N",46854322,NA,"PDBC36461","723389","Present",NA,NA
+"36462","Etibendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"etibendazole",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3(OCCO3)C4=CC=C(C=C4)F","PEVOWKBJMJVUSV-UHFFFAOYSA-N",71745,NA,"PDBC36462","313432","Present",NA,NA
+"36463","Etilamfetamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenethylamine, N-ethyl-.alpha.-methyl-, hydrochloride",NA,"CCNC(C)CC1=CC=CC=C1.Cl","HFBTZBOJTFIRAS-UHFFFAOYSA-N",197941,NA,"PDBC36463","54938","Present",NA,NA
+"36464","Etoprine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Etoprine",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl","PXLPCZJACKUXGP-UHFFFAOYSA-N",29142,NA,"PDBC36464","3062","Present",NA,NA
+"36465","Etymemazine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"etymemazine hydrochloride",NA,"CCC1=CC2=C(C=C1)SC3=CC=CC=C3N2CC(C)CN(C)C.Cl","ZVSKDFRXWJPINY-UHFFFAOYSA-N",71822,NA,"PDBC36465","169471","Present",NA,NA
+"36466","Eucalyptol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cineol",NA,"CC1(C2CCC(O1)(CC2)C)C","WEEGYLXZBRQIMU-UHFFFAOYSA-N",2758,NA,"PDBC36466","6171","Present",NA,NA
+"36467","Euchrenone b10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Euchrenone b10",NA,"CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC=C(C=C4)O)CC(O2)C(C)(C)O)C","KQLMUJOKBRYEHR-UHFFFAOYSA-N",402594,NA,"PDBC36467","716724","Present",NA,NA
+"36468","Euchrestine C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Euchrestine C",NA,"CC1=CC2=C(C=C1O)NC3=C2C=CC(=C3CC=C(C)CCC=C(C)C)O","DLDHCDKBXVNGMC-OVCLIPMQSA-N",5467515,NA,"PDBC36468","654287","Present",NA,NA
+"36469","Euchrestine D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Euchrestine D",NA,"CC1=CC2=C(C(=C1O)CC=C(C)CCC=C(C)C)NC3=C2C=CC(=C3)O","SALFRFIYEMQASK-OVCLIPMQSA-N",5467514,NA,"PDBC36469","654281","Present",NA,NA
+"36470","Eudistomin H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eudistomin H",NA,"C1CC(=NC1)C2=NC=CC3=C2NC4=C3C=C(C=C4)Br","BJVWSKGRRKQZGZ-UHFFFAOYSA-N",145929,NA,"PDBC36470","622807","Present",NA,NA
+"36471","Eunicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eunicin",NA,"CC1CCCC(=CCCC(C2CC3C(C1O2)OC(=O)C3=C)(C)O)C","RFCBIORAGZWLAM-WQLSENKSSA-N",5358827,NA,"PDBC36471","282752","Present",NA,NA
+"36472","Eunicin-alkene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eunicin-alkene",NA,"CC=C1C2CC3C(CCC=C(CCCC(C(C2OC1=O)O3)C)C)(C)O","XTONXHQLOHQXBT-VAVFTYMPSA-N",24204115,NA,"PDBC36472","730665","Present",NA,NA
+"36473","Eunicin-cyclo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eunicin-cyclo",NA,"CC1CCCC(=CCCC(C2CC3C(C1O2)OC(=O)C34CC4)(C)O)C","YXLAWQUFWHSHLQ-KKXFEYRMSA-N",24204113,NA,"PDBC36473","730662","Present",NA,NA
+"36474","Eunicin-cyclobilactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eunicin-cyclobilactone",NA,"CC(CCCC(=O)C)C1C2C(CC(O1)C3(CCC(=O)O3)C)C4(CC4)C(=O)O2","WBUQWMFAJPNMJE-DEYCRONHSA-N",9976935,NA,"PDBC36474","730664","Present",NA,NA
+"36475","Euophyllum Lactone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eriolanin",NA,"CC(CCCO)C1=C(CC2C(C1OC(=O)C(=C)C)C(=C)C(=O)O2)CO","IIFHSDMQQLTWKZ-UHFFFAOYSA-N",422454,NA,"PDBC36475","144152","Present",NA,NA
+"36476","Eupachlorin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupachlorin///Eupachlorin acetate",NA,"CC=C(C)C(=O)OC1CC(C2C(C=C(C2(C3C1C(=C)C(=O)O3)O)C)O)(CCl)O","VCAKAFVZYNRGKS-WBNZXOOCSA-N",5281446,NA,"PDBC36476","114567///114568","Present",NA,NA
+"36477","Eupachloroxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupachloroxin",NA,"CC=C(C)C(=O)OC1CC(C2C(C3C(C2(C4C1C(=C)C(=O)O4)O)(O3)C)O)(CCl)O","ZKXZLEVGQXDZEP-VMPITWQZSA-N",5917065,NA,"PDBC36477","114570","Present",NA,NA
+"36478","Eupacunin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupacunin",NA,"CC=C(C)C(=O)OC1C=C(C(CC(C(=CC2C1C(=C)C(=O)O2)C)OC(=O)C)O)C","LVPCBECJXWCROK-PFVBFNHDSA-N",5458269,NA,"PDBC36478","135020","Present",NA,NA
+"36479","Eupacunoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupacunoxin",NA,"C.C.CC1C(O1)(C)C(=O)OC2C=C(C(CC(C(=CC3C2C(=C)C(=O)O3)C)OC(=O)C)O)C","CEFLSWYJXGKOGM-HTACVAHMSA-N",54610340,NA,"PDBC36479","135021","Present",NA,NA
+"36480","Eupalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupalin",NA,"CC1C(C(C(C(O1)OC2=C(OC3=CC(=C(C(=C3C2=O)O)OC)OC)C4=CC=C(C=C4)O)O)O)O","CXVSHWFUBVZVSW-UHFFFAOYSA-N",5352020,NA,"PDBC36480","134057","Present",NA,NA
+"36481","Eupalmerin acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupalmerin acetate",NA,"CC1CCCC(=CCCC2(C(O2)CC3C(C1OC(=O)C)OC(=O)C3=C)C)C","KSMMWIWWLQEPOL-OFHJXLIGSA-N",5459169,NA,"PDBC36481","637469","Present",NA,NA
+"36482","Euparotin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Euparotin///Euparotin acetate",NA,"CC=C(C)C(=O)OC1CC2(CO2)C3C(C=C(C3(C4C1C(=C)C(=O)O4)O)C)O","ADBOAFOIAMBXJT-WBNZXOOCSA-N",5281455,NA,"PDBC36482","104942///104943","Present",NA,NA
+"36483","Eupatalbolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupatalbolide",NA,"CC12CCCC3(C1CC(C45C3(CCC(C4)C(C5)(C)O)C)O)OC2=O","LKNWRNYPVAXRTM-UHFFFAOYSA-N",432738,NA,"PDBC36483","314028","Present",NA,NA
+"36484","Eupatocunin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupatocunin",NA,"CC=C(C)C(=O)OC1C2C(C=C(C(CC=C(C1O)C)OC(=O)C)C)OC(=O)C2=C","JWMHJIFDEKQJQY-YSOMVIGGSA-N",5382252,NA,"PDBC36484","135025","Present",NA,NA
+"36485","Eupatocunoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupatocunoxin",NA,"CC1C(O1)(C)C(=O)OC2C(C3C(C=C(C(CC=C2C)OC(=O)C)C)OC(=O)C3=C)O","UZTYOOVAPGOQDZ-BDFJVSTISA-N",5382250,NA,"PDBC36485","135022","Present",NA,NA
+"36486","Eupatundin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupatundin",NA,"CC=C(C)C(=O)OC1CC(=C)C2C(C3C(C2(C4C1C(=C)C(=O)O4)O)(O3)C)O","NFHWFFQENCGSQZ-VAGPNBDPSA-N",5281464,NA,"PDBC36486","114566","Present",NA,NA
+"36487","Eupenifeldin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eupenifeldin",NA,"CC1=C2CC3CC(C4(C(CC5=C(C=C(C(=O)C=C5O4)O)C)CC(C=CCC3(OC2=CC(=O)C(=C1)O)C)(C)C)C)O","BWTQHPFSWXJOGP-YLLNCWMYSA-N",137226332,NA,"PDBC36487","782350","Present",NA,NA
+"36488","Euphorbia substance SPr5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Euphorbia substance SPr5",NA,"CCC(=O)OC1C(CC2(C1C(C34COC(C3C5C(CC5(C)OC(=O)C)C(C4=O)OC(=O)C6=CC=CC=C6)(C2OC(=O)C)C)OC(=O)C)OC(=O)C)C","HVQVEQMVCYOICQ-YDTMFVMDSA-N",5459191,NA,"PDBC36488","640929","Present",NA,NA
+"36489","Euplexide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Euplexide B",NA,"CC1=CC(=C(C=C1O)CC=C(C)CCC=C(C)CC(C=C(C)C)OC(=O)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)O","GLIWVCWHDRRQTC-ZYQOULKWSA-N",5471618,NA,"PDBC36489","712182","Present",NA,NA
+"36490","Euplexide D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Euplexide D",NA,"CC1=CC(=C(C=C1O)CC=C(C)CCC=C(C)CC(=O)CC(C)C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)O","NDOBUHYJZUGCSU-OMTKTPHQSA-N",5471619,NA,"PDBC36490","712183","Present",NA,NA
+"36491","Eurecurvin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC292663///NSC299545",NA,"CCC(C)C(=O)OC1C=C(C(CC(C(=CC2C1C(=C)C(=O)O2)CO)OC(=O)C)O)C","YZCAXCLLBWHFLS-KJZHCDIESA-N",5477103,NA,"PDBC36491","292663///299545","Present",NA,NA
+"36492","Europine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Europine",NA,"CC(C(C(=O)OCC1=CCN2C1C(CC2)O)(C(C)(C)O)O)OC","ZNEMYFCJOCCUJN-UHFFFAOYSA-N",98222,NA,"PDBC36492","89939","Present",NA,NA
+"36493","Euryopsonol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Euryopsonol",NA,"CC1C(CCC2C1(CC3=C(C2)OC=C3C)C)O","UIWPDJPOLFTUJI-UHFFFAOYSA-N",270650,NA,"PDBC36493","113234","Present",NA,NA
+"36494","Euserotin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Euserotin",NA,"CCC(=CC(=O)OC1CC(=CCCC(=CC2C1C(=C)C(=O)O2)C(=O)O)C)C","ILNNCSSDKBHGFO-SAQOPMLXSA-N",54602158,NA,"PDBC36494","311046","Present",NA,NA
+"36495","Evans blue free acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C.I. Direct Blue 53 (free acid)",NA,"CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O","COXVTLYNGOIATD-UHFFFAOYSA-N",3315,NA,"PDBC36495","65849","Present",NA,NA
+"36496","Eveninomicin B sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Eveninomicin B sodium salt",NA,"CC1C(C(CC(O1)OC2C(OC3(CC2O)OC4C(OC(C(C4(O3)C)O)OC5C(C(OC(C5OC)C)OC6C(OC(C(C6O)OC)OC7C(C8C(CO7)OC9(O8)C1C(C(CO9)(C(C)OC)O)OCO1)OC)COC)O)C)C)OC1CC(C(C(O1)C)OC)(C)[N+](=O)[O-])OC(=O)C1=C(C(=C(C(=C1OC)Cl)O)Cl)C","ZFRCWSCZDCAGAJ-UHFFFAOYSA-N",198291,NA,"PDBC36496","237674","Present",NA,NA
+"36497","Evobrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Evobrutinib",NA,"C=CC(=O)N1CCC(CC1)CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N","QUIWHXQETADMGN-UHFFFAOYSA-N",71479709,NA,"PDBC36497","800892","Present",NA,NA
+"36498","Evodia fruit",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Limonin",NA,"CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C36C(O6)C(=O)OC5C7=COC=C7)C)C)C","KBDSLGBFQAGHBE-UHFFFAOYSA-N",235284,NA,"PDBC36498","36508","Present",NA,NA
+"36499","Evoxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Evoxine",NA,"CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O","FGANMDNHTVJAHL-UHFFFAOYSA-N",73416,NA,"PDBC36499","94653","Present",NA,NA
+"36500","Excisanin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Excisanin B",NA,"CC(=O)OC1CC2C3(C(CCC(C3CC(C24C(C1C(=C)C4=O)O)O)(C)C)O)C","VAAUVQKKXHANPM-SASCPTOWSA-N",367618,NA,"PDBC36500","637460","Present",NA,NA
+"36501","Exo-Spiro[8,1'-cyclohex-2-en-4-one]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"exo-Spiro[8,8-dimethylbicyclo[3.2.1]octan-2-one-3,1'-cyc...",NA,"CC1(C2CCC1C(=O)C3(C2)CCC(=O)C=C3)C","SGDVJUNELXGLNJ-MBRGGSNBSA-N",6712172,NA,"PDBC36501","657839","Present",NA,NA
+"36502","Exotoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"exotoxin",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COC4C(OC(C(C4O)O)OC(C(C(C(C(=O)O)O)OP(=O)(O)O)O)C(=O)O)CO)O)O)N","OTLLEIBWKHEHGU-UHFFFAOYSA-N",304586,NA,"PDBC36502","197177","Present",NA,NA
+"36503","Experimental drug: 30 ml cytotoxic Se(O)-protein conjuga...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Experimental drug: 30 ml cytotoxic Se(O)-protein conjuga...",NA,NA,NA,NA,NA,"PDBC36503","734175","Present",NA,NA
+"36504","Extract from leaves of Efinrin plant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Extract from leaves of Efinrin plant",NA,"COC1=C(C=CC(=C1)C=C2C3C4(C=CC5C4C(O3)OC=C5C(=O)OC)OC2=O)O","TXGZCLZZWWAVDP-KPKJPENVSA-N",5467556,NA,"PDBC36504","655756","Present",NA,NA
+"36505","Extracted from bacteria",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Extracted from bacteria",NA,"CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C=CCC(C)(C)OC","VAZQBTJCYODOSV-IAJTWSNCSA-N",5388232,NA,"PDBC36505","633983","Present",NA,NA
+"36506","Ezatiostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ezatiostat",NA,"CCOC(=O)C(CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)OCC)N","GWEJFLVSOGNLSS-WPFOTENUSA-N",5310939,NA,"PDBC36506","758484","Present",NA,NA
+"36507","F0012-0183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F0012-0183",NA,"CC1=C2C(=CC=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","IBUOLCIWYBGWAI-UHFFFAOYSA-N",395235,NA,"PDBC36507","699710","Present",NA,NA
+"36508","F0547-0312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F0547-0312",NA,"CC(C)(C)N1CN(C(=S)SC1)CC2=CC=CO2","ZWCGEVMKYKXCAS-UHFFFAOYSA-N",399774,NA,"PDBC36508","710869","Present",NA,NA
+"36509","F0675-0117",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F0675-0117",NA,"C1CN(C2=CC=CC=C21)C(=O)C(=O)C3=CNC4=CC=CC=C43","CFUYGGPBOBIHRG-UHFFFAOYSA-N",378607,NA,"PDBC36509","661247","Present",NA,NA
+"36510","F0803-0097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F0803-0097",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN4C5=CC=CC=C5SC4=N3)O","KBGBYBXZSALCJS-UHFFFAOYSA-N",5470407,NA,"PDBC36510","701104","Present",NA,NA
+"36511","F0849-0955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F0849-0955",NA,"COC1=CC2=C(C=C1)OC(=NC3=CC=C(C=C3)F)C(=C2)C(=O)N","LJYSQSCYYWFTBX-UHFFFAOYSA-N",397117,NA,"PDBC36511","704430","Present",NA,NA
+"36512","F0856-0293",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F0856-0293",NA,"CC1=CC=C(C=C1)C2=CSC(=NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)N2CCO","OSRAYUCUVISSRO-UHFFFAOYSA-N",396123,NA,"PDBC36512","701668","Present",NA,NA
+"36513","F1032-0080",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F1032-0080",NA,"C1CCN(C1)CC(COC2=C(C=C(C=C2)Cl)Cl)O","NHGWYVBPZSKTKV-UHFFFAOYSA-N",259462,NA,"PDBC36513","89419","Present",NA,NA
+"36514","F1177-0076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F1177-0076",NA,"COC1=CC=C(C=C1)C2=CC(N3C(=NC=N3)N2)C4=CC(=C(C(=C4)OC)OC)OC","JHGXNMUULUHVKO-UHFFFAOYSA-N",3538133,NA,"PDBC36514","790090","Present",NA,NA
+"36515","F1727-0102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F1727-0102",NA,"CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5=CC=C(C=C5)F)C#N","BQKJBAPBSRNLCQ-UHFFFAOYSA-N",380603,NA,"PDBC36515","666278","Present",NA,NA
+"36516","F1862-0079",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F1862-0079",NA,"COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=CC(=C(C=C3)OC)OC","XJMBKKMQJONPPZ-UHFFFAOYSA-N",388104,NA,"PDBC36516","682567","Present",NA,NA
+"36517","F1907-1599",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F1907-1599",NA,"C1CCC2=NC3=C(C=C(C=C3)N)C(=O)N2CC1","FUPXCYFCYPDSKZ-UHFFFAOYSA-N",380987,NA,"PDBC36517","666866","Present",NA,NA
+"36518","F1967-3306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F1967-3306",NA,"C1=CN=CC=C1CNC2=CC(=O)NC(=O)N2","SEHGRTLSCYUHFA-UHFFFAOYSA-N",388643,NA,"PDBC36518","683655","Present",NA,NA
+"36519","F2147-3080",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2147-3080",NA,"C1CC(=O)NC2=C(C1=O)SC=C2","JQIAMULIXYHWGW-UHFFFAOYSA-N",369400,NA,"PDBC36519","641165","Present",NA,NA
+"36520","F2503-0151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2503-0151",NA,"C1=CC(=CC=C1C(=O)CSC2=NC3=C(C=NN3)C(=O)N2)Cl","NAHCYCAECAHCNA-UHFFFAOYSA-N",135409221,NA,"PDBC36520","669947","Present",NA,NA
+"36521","F2792-0270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2792-0270",NA,"CCNC1=C2C(=NC=N1)N(N=N2)CC","NDVNHAJMXQWLSL-UHFFFAOYSA-N",237113,NA,"PDBC36521","40367","Present",NA,NA
+"36522","F3095-2001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F3095-2001",NA,"CC1=CC(=O)NC(=N1)NN=C(C)C(=O)O","WRWMCDGJBXKZQH-WZUFQYTHSA-N",135485441,NA,"PDBC36522","84251","Present",NA,NA
+"36523","F3097-1842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F3097-1842",NA,"C1=CC(=CC(=C1)N2C(=O)C(=C(C2=O)Cl)Cl)C(F)(F)F","MALRBSBLPCUSNT-UHFFFAOYSA-N",360305,NA,"PDBC36523","622340","Present",NA,NA
+"36524","F3223-0004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F3223-0004",NA,"CC1=NC2=CC=CC=C2N1CC3=NN=C(O3)C4=CC=CC=C4","ZYLSQRWTESQSDA-UHFFFAOYSA-N",396632,NA,"PDBC36524","703131","Present",NA,NA
+"36525","F3324-0165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F3324-0165",NA,"C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)NC(=S)NC3=O)[N+](=O)[O-]","RNRHUITXNUBAQW-UHFFFAOYSA-N",3124581,NA,"PDBC36525","645850","Present",NA,NA
+"36526","F3366-5778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F3366-5778",NA,"CC1CC(=O)NC2=CC=CC=C2N1C(=O)C3CC3","RTSIQJJFQYKWGG-UHFFFAOYSA-N",377487,NA,"PDBC36526","658955","Present",NA,NA
+"36527","F387C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F387C",NA,NA,NA,NA,NA,NA,"PDBC36527",NA,"Absent",NA,NA
+"36528","F4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F4",NA,NA,"C1=CC(=CC=C1C2=C(C(=O)N(C(=C2C#N)N)C3=NC4=C(S3)C=C(C=C4)F)C#N)Cl","GSZWORSDTAWGSH-UHFFFAOYSA-N",139205176,NA,"PDBC36528",NA,"Absent",NA,NA
+"36529","F6548-0495",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F6548-0495",NA,"CC1=CC2=C(C=C1C)N=C(C(=O)N2)CCC(=O)O","ZVYRHSRZFWTQII-UHFFFAOYSA-N",369805,NA,"PDBC36529","641998","Present",NA,NA
+"36530","F919POH697",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F919POH697",NA,"C=C1CC2(C3=CC=CC=C3CCC4=CC=CC=C42)OC1=O","GHIMMECAKCIHTG-UHFFFAOYSA-N",179617,NA,"PDBC36530","637827","Present",NA,NA
+"36531","F9J53MVN3M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F9J53MVN3M",NA,"COC1=CC2=C(C=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)OC)O","KSAJVJYHNOORPX-UHFFFAOYSA-N",265724,NA,"PDBC36531","102057","Present",NA,NA
+"36532","FAGARONINE, O-METHYL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FAGARONINE, O-METHYL",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.[Cl-]","STJJMCOJNXLYFW-UHFFFAOYSA-M",124193,NA,"PDBC36532","168201","Present",NA,NA
+"36533","FALACONITINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FALACONITINE",NA,"CCN1CC2(C(CC(C34C2C(C(C31)C5=CC(C6(CC4C5C6OC(=O)C7=CC(=C(C=C7)OC)OC)O)OC)OC)OC)O)COC","AWCSAXLOUNZFKK-UHFFFAOYSA-N",431678,NA,"PDBC36533","295662","Present",NA,NA
+"36534","FBFPLFGAIISYPJ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FBFPLFGAIISYPJ-UHFFFAOYSA-N",NA,"B1(OCC(O1)C2C3C(COB(O3)C4=CC=CC=C4)OB(O2)C5=CC=CC=C5)C6=CC=CC=C6","FBFPLFGAIISYPJ-UHFFFAOYSA-N",241147,NA,"PDBC36534","48283","Present",NA,NA
+"36535","FC01e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FC01e",NA,"CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(CO)N)C","COSICWYFCAPPJB-QMMMGPOBSA-N",121492227,NA,"PDBC36535","783224","Present",NA,NA
+"36536","FC101a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FC101a",NA,"CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(CO)N)C","COSICWYFCAPPJB-MRVPVSSYSA-N",363059,NA,"PDBC36536","783223","Present",NA,NA
+"36537","FC1=CC=C(C=C1)S(=O)(=O)NC1=C(C(=CC=C1\C=C/C1=CC(=C(C(=C1)OC)OC)OC)OC)O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-fluoro-N-(2-hydroxy-3-methoxy-6-(3,4,5-trimethoxys...",NA,"COC1=C(C(=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NS(=O)(=O)C3=CC=C(C=C3)F)O","JSGQLTBBLBMZMK-WAYWQWQTSA-N",132113981,NA,"PDBC36537","780183","Present",NA,NA
+"36538","FCH2713544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH2713544",NA,"CC(C(=O)N(C)OC)NC(=O)OCC1=CC=CC=C1","JJWLCBIYQXRMNO-UHFFFAOYSA-N",375610,NA,"PDBC36538","655432","Present",NA,NA
+"36539","FCH829204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH829204",NA,"CC1=CC=CC=C1N=CN(C)C","VTJDEAHIKIEJET-UHFFFAOYSA-N",25123,NA,"PDBC36539","665679","Present",NA,NA
+"36540","FCH830880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH830880",NA,"C1=CC(=CN=C1)CNC2=NC=NN2","WKJQXLYKOGTVRQ-UHFFFAOYSA-N",294856,NA,"PDBC36540","163938","Present",NA,NA
+"36541","FD-0231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FD-0231",NA,"CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)O","ZQIPILTVJGFFID-UHFFFAOYSA-N",375632,NA,"PDBC36541","655454","Present",NA,NA
+"36542","FDEMHNHVCKTOKD-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FDEMHNHVCKTOKD-UHFFFAOYSA-N",NA,"CCOC(=O)C(C(F)(F)F)(NCC1=CC(=CC=C1)C(F)(F)F)NC(=O)C2=CC=CC=C2","FDEMHNHVCKTOKD-UHFFFAOYSA-N",389132,NA,"PDBC36542","684817","Present",NA,NA
+"36543","FEN1-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FEN1-IN-1",NA,"C1C(OC2=CC=CC=C2O1)CN3C4=C(C(=O)N(C3=O)O)SC=C4","MXQGCMQXTPTJJT-UHFFFAOYSA-N",11652865,NA,"PDBC36543","825255","Present",NA,NA
+"36544","FI-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FI-3",NA,"CC1C(CC2C1C3C(C2)C4CC=CC(=O)NCCCC5C(=O)C(=C(C=CC4CC3=O)O)C(=O)N5)C=C","LHAPWXCQRKSNOH-ZZUDIIJMSA-N",101515036,NA,"PDBC36544","762045","Present",NA,NA
+"36545","FJLHCTMEPFHZJN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FJLHCTMEPFHZJN-UHFFFAOYSA-N",NA,"COC1=C(C(=C(C(=C1)C=O)C2=CC3=C(C=C2C=O)OCO3)OC)OC","FJLHCTMEPFHZJN-UHFFFAOYSA-N",372641,NA,"PDBC36545","648095","Present",NA,NA
+"36546","FKCVSPIAXVCSDP-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FKCVSPIAXVCSDP-UHFFFAOYSA-N",NA,"C1=CC(=CC=C1C2C3=C(NC(=O)NC3=O)OC4=C2C(=O)NC(=O)N4)[N+](=O)[O-]","FKCVSPIAXVCSDP-UHFFFAOYSA-N",397540,NA,"PDBC36546","705848","Present",NA,NA
+"36547","FLAVONE, 3-HYDROXY-4'-METHOXY-6-METHYL-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FLAVONE, 3-HYDROXY-4'-METHOXY-6-METHYL-",NA,"CC1=CC2=C(C=C1)OC(=C(C2=O)O)C3=CC=C(C=C3)OC","XBEINZKGCYZUQJ-UHFFFAOYSA-N",227443,NA,"PDBC36547","19024","Present",NA,NA
+"36548","FLPMPZQQJFMRBL-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FLPMPZQQJFMRBL-UHFFFAOYSA-N",NA,"CCC(=O)N1C(=O)N(C(=O)N1C(=O)CC)C2=CC=C(C=C2)[N+](=O)[O-]","FLPMPZQQJFMRBL-UHFFFAOYSA-N",388176,NA,"PDBC36548","682741","Present",NA,NA
+"36549","FN-439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FN-439",NA,"CC(C(=O)NO)NC(=O)C(C(C)(C)C)NC(=O)C1CCCN1C(=O)CNC(=O)C2=CC=C(C=C2)N","RLXHXKXXKBARQZ-SKDZVZGDSA-N",24203342,NA,"PDBC36549","727629","Present",NA,NA
+"36550","FOPJVMGLVYKEKU-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FOPJVMGLVYKEKU-UHFFFAOYSA-N",NA,"CCOC1=CC=C(C=C1)OP2(=O)NC(=CC(=O)N2)C","FOPJVMGLVYKEKU-UHFFFAOYSA-N",373121,NA,"PDBC36550","649063","Present",NA,NA
+"36551","FOQFBMQPEZZFDP-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FOQFBMQPEZZFDP-UHFFFAOYSA-N",NA,"C1=CC=NC(=C1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)N2","FOQFBMQPEZZFDP-UHFFFAOYSA-N",384998,NA,"PDBC36551","675825","Present",NA,NA
+"36552","FOZZBKCQELZCLH-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FOZZBKCQELZCLH-UHFFFAOYSA-N",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)Cl","FOZZBKCQELZCLH-UHFFFAOYSA-N",372723,NA,"PDBC36552","648306","Present",NA,NA
+"36553","FRI 1A6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FRI 1A6",NA,NA,NA,NA,NA,"PDBC36553","636206","Present",NA,NA
+"36554","FRI 3B1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FRI 3B1",NA,NA,NA,NA,NA,"PDBC36554","636207","Present",NA,NA
+"36555","FRI 3C3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FRI 3C3",NA,NA,NA,NA,NA,"PDBC36555","636208","Present",NA,NA
+"36556","FRI A12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FRI A12",NA,NA,NA,NA,NA,"PDBC36556","636203","Present",NA,NA
+"36557","FRI C4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FRI C4",NA,NA,NA,NA,NA,"PDBC36557","636204","Present",NA,NA
+"36558","FRI D1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FRI D1",NA,NA,NA,NA,NA,"PDBC36558","636205","Present",NA,NA
+"36559","FURFURYLAMINE, alpha-METHYL-N-(2-OXAZOLINYL)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-70642",NA,"CC(C1=CC=CO1)NC2=NCCO2","MAXMHZNOZRNGOY-UHFFFAOYSA-N",45695,NA,"PDBC36559","664291","Present",NA,NA
+"36560","FUSAPROLIFERIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FUSAPROLIFERIN",NA,"CC1CCC2C(=C(C(=O)C2(CC=C(CCC=C(CCC1O)C)C)C)O)C(C)COC(=O)C","NXAIHHHELDCRMP-HOECKACNSA-N",5468603,NA,"PDBC36560","672222","Present",NA,NA
+"36561","FW7K1H1I58",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FW7K1H1I58",NA,"CN(C)CC1=CNC2=C1C(=O)NC=N2","FSNZECMQDRKXMJ-UHFFFAOYSA-N",135403632,NA,"PDBC36561","62749","Present",NA,NA
+"36562","FY95Z10L1D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FY95Z10L1D",NA,"CNC1=C2C(=NC=N1)N(N=N2)C","IYAFHGDUGDYIMK-UHFFFAOYSA-N",95868,NA,"PDBC36562","40368","Present",NA,NA
+"36563","Faaisgqqwpatsd-uhfffaoysa-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Phenyl-6-sulfanylquinolin-4(1H)-one",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)S","FAAISGQQWPATSD-UHFFFAOYSA-N",377399,NA,"PDBC36563","658842","Present",NA,NA
+"36564","Fabacein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fabacein",NA,"CC(=O)OC1CC2(C3CC=C4C(C3(C(=O)CC2(C1C(C)(C(=O)C=CC(C)(C)OC(=O)C)O)C)C)CC(C(=O)C4(C)C)O)C","VDSNEQABQQKTRF-ZHECFNFVSA-N",5356030,NA,"PDBC36564","49452","Present",NA,NA
+"36565","Facs-8 fujisawa",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FACS-8 FUJISAWA",NA,"CCCOC(=O)NC(C)C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)NC(C)C(=O)O)C(=O)O","IWQUEXCJWUBCBN-UHFFFAOYSA-N",434210,NA,"PDBC36565","345402","Present",NA,NA
+"36566","Fagaronine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fagaronine chloride",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)O)OC)OC)OC.[Cl-]","VVEPUJCLNRDIEQ-UHFFFAOYSA-N",40304,NA,"PDBC36566","157995","Present",NA,NA
+"36567","Falcarinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Falcarinon",NA,"CCCCCCCC=CCC#CC#CC(=O)C=C","UQEBOJRXTNLPKZ-KHPPLWFESA-N",5281150,NA,"PDBC36567","653380","Present",NA,NA
+"36568","Fangchinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fangchinoline",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)O)OC)OC","IIQSJHUEZBTSAT-VMPREFPWSA-N",73481,NA,"PDBC36568","77036","Present",NA,NA
+"36569","Fantridone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fantridone hydrochloride",NA,"CN(C)CCCN1C2=CC=CC=C2C3=CC=CC=C3C1=O.Cl","VRCYZPYOTBBJKU-UHFFFAOYSA-N",23619468,NA,"PDBC36569","79843","Present",NA,NA
+"36570","Faradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Faradiol",NA,"CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC=C1C)C)O)C)C)(C)C)O)C","BNHIQKVOPNHQKO-ZPWDLUOLSA-N",397486,NA,"PDBC36570","705534","Present",NA,NA
+"36571","Faradiol alpha-epoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Faradiol .alpha.-epoxide",NA,"CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC6C1(O6)C)C)O)C)C)(C)C)O)C","ZHBSMFWWAZGXHE-BMJWJMHVSA-N",397487,NA,"PDBC36571","705535","Present",NA,NA
+"36572","Farnesiaside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Farnesiaside",NA,"CC12CCC3C(C45CC(CCC4C3(C1C(OC2=O)O)C)C(=C)C5OC6C(C(C(C(O6)CO)O)O)O)O","WMIPXFSQLLVMKU-JLIIVFCQSA-N",398039,NA,"PDBC36572","707141","Present",NA,NA
+"36573","Fastigillin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fastigilin B",NA,"CC1C2C=CC(=O)C2(C(C3C(C(=O)OC3C1O)C)OC(=O)C=C(C)C)C","DLISCHVYLYGCNV-UHFFFAOYSA-N",417662,NA,"PDBC36573","176503","Present",NA,NA
+"36574","Fastigillin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fastigilin C",NA,"CC1C2C=CC(=O)C2(C(C3C(C1O)OC(=O)C3=C)OC(=O)C=C(C)C)C","QQEQKSVDPDNRRR-NUYZTHSYSA-N",261577,NA,"PDBC36574","176507","Present",NA,NA
+"36575","Fauwolscine, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FAUWOLSCINE, HYDROCHLORIDE",NA,"COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O.Cl","PIPZGJSEDRMUAW-UHFFFAOYSA-N",12304060,NA,"PDBC36575","407307","Present",NA,NA
+"36576","Fcrc57-G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCRC57-G",NA,"CC1=CC2=CC3=C(C(=C2C(=O)O1)O)OC4(C(C3)O)C(C5=C(C6=C(C(=C5O4)O)C(=O)C(=CC6=O)OC)O)O","NWVQGFXTZWXNGL-UHFFFAOYSA-N",5358914,NA,"PDBC36576","289645","Present",NA,NA
+"36577","Fenebrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fenebrutinib",NA,"CC1CN(CCN1C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=NC=C4)N5CCN6C7=C(CC(C7)(C)C)C=C6C5=O)CO)C8COC8","WNEODWDFDXWOLU-QHCPKHFHSA-N",86567195,NA,"PDBC36577","798202","Present",NA,NA
+"36578","Fenoldopam mesylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FENOLDOPAM MESYLATE",NA,NA,"CS(=O)(=O)O.C1CNCC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O","CVKUMNRCIJMVAR-UHFFFAOYSA-N",49659,NA,"PDBC36578",NA,"Absent",NA,NA
+"36579","Fenticlor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC4112///NSC55636",NA,"C1=CC(=C(C=C1Cl)SC2=C(C=CC(=C2)Cl)O)O","ANUSOIHIIPAHJV-UHFFFAOYSA-N",7329,NA,"PDBC36579","4112///55636","Present",NA,NA
+"36580","Ferene S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ferene",NA,"C1=CC=NC(=C1)C2=NC(=C(N=N2)C3=CC=C(O3)S(=O)(=O)O)C4=CC=C(O4)S(=O)(=O)O.[Na+]","CGAHGMQKUPCZKN-UHFFFAOYSA-N",54600798,NA,"PDBC36580","601364","Present",NA,NA
+"36581","Ferprenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ferprenin",NA,"CC(=CCCC(=CCCC1(C=CC2=C(O1)C3=CC=CC=C3OC2=O)C)C)C","JQLNFODDCYXPCO-WOJGMQOQSA-N",5387614,NA,"PDBC36581","625193","Present",NA,NA
+"36582","Ferrate(1-), [2-(pyridinylmethylene)hydrazinecarbothioam...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ferrate(1-), [2-(pyridinylmethylene)hydrazinecarbothioam...",NA,NA,NA,NA,NA,"PDBC36582","299130","Present",NA,NA
+"36583","Ferrate(2-), chloro[7,12-diacetyl-3,8,13,17-tetramethyl-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ferrate(2-), chloro[7,12-diacetyl-3,8,13,17-tetramethyl-...",NA,NA,NA,NA,NA,"PDBC36583","19664","Present",NA,NA
+"36584","Ferric [(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ferric [(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea",NA,NA,NA,NA,NA,"PDBC36584","613664","Present",NA,NA
+"36585","Ferric dimethoxy-sulfanyl-thioxo-$l^{5}-phosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ferric dimethoxy-sulfanyl-thioxo-$l^{5}-phosphane",NA,NA,NA,NA,NA,"PDBC36585","650875","Present",NA,NA
+"36586","Ferric-taxol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ferric-taxol",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)[O-])[O-])OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)[O-])C)OC(=O)C.[Fe+3]","DENRCSJSKWORLT-NOSCCTPQSA-N",54612932,NA,"PDBC36586","749908","Present",NA,NA
+"36587","Ferrocene, 1,1''-(dichlorostannylene)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ferrocene, 1,1''-(dichlorostannylene)bis-",NA,NA,NA,NA,NA,"PDBC36587","176245","Present",NA,NA
+"36588","Ferulenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ferulenol",NA,"CC(=CCCC(=CCCC(=CCC1=C(C2=CC=CC=C2OC1=O)O)C)C)C","NJJDBBUWWOAOLD-CFBAGHHKSA-N",54679300,NA,"PDBC36588","655150","Present",NA,NA
+"36589","Ferulic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ferulic acid",NA,"COC1=C(C=CC(=C1)C=CC(=O)O)O","KSEBMYQBYZTDHS-HWKANZROSA-N",445858,NA,"PDBC36589","2821","Present",NA,NA
+"36590","Filipin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Filipin",NA,"CCCCCC(C1C(CC(CC(CC(CC(CC(CC(C(=CC=CC=CC=CC=CC(C(OC1=O)C)O)C)O)O)O)O)O)O)O)O","IMQSIXYSKPIGPD-JUDYZCJOSA-N",5351457,NA,"PDBC36590","3364","Present",NA,NA
+"36591","Finasteride Impurity",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Finasteride Impurity",NA,"CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CC=C4C3(CCC(=O)N4)C","IHYQEUFHHYXVFL-FIIPNDBVSA-N",384650,NA,"PDBC36591","674693","Present",NA,NA
+"36592","Fisogatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BLU-554",NA,"COC1=CC(=C(C(=C1Cl)C2=CC3=CN=C(N=C3C=C2)NC4COCCC4NC(=O)C=C)Cl)OC","MGZKYOAQVGSSGC-DLBZAZTESA-N",91885617,NA,"PDBC36592","795718","Present",NA,NA
+"36593","Flaccidin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flaccidin B",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)O)C","GXWUEMSASMVWKO-KFYKJMCGSA-N",362350,NA,"PDBC36593","626094","Present",NA,NA
+"36594","Flammulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flammulin",NA,NA,NA,NA,NA,"PDBC36594","525661","Present",NA,NA
+"36595","Flavacol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flavacol",NA,"CC(C)CC1=CN=C(C(=O)N1)CC(C)C","UYYRKEKHAYEACU-UHFFFAOYSA-N",278143,NA,"PDBC36595","127442","Present",NA,NA
+"36596","Flavanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FLAVANONE",NA,"C1C(OC2=CC=CC=C2C1=O)C3=CC=CC=C3","ZONYXWQDUYMKFB-UHFFFAOYSA-N",10251,NA,"PDBC36596","50393","Present",NA,NA
+"36597","Flavaspidic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"toxifren",NA,"CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)CCC)(C)C)O)O)C)O","NHVQLOCTXSMKIX-UHFFFAOYSA-N",8237,NA,"PDBC36597","115497","Present",NA,NA
+"36598","Flavellagic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flavellagic acid",NA,"C1=C(C(=O)C2=C3C1=C(OC4=C3C(=C(O2)O)C(=C(C4=O)O)O)O)O","UCKGLEMDCQLHHW-UHFFFAOYSA-N",135426515,NA,"PDBC36598","335996","Present",NA,NA
+"36599","Flavenochromane B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flavenochromane B",NA,"CC1(CCC2=C3C(=C4C(=C2O1)CCC(O4)(C)C)C(=O)C(=C(O3)C5=CC=C(C=C5)O)O)C","VBVBDUDAYZYKEQ-UHFFFAOYSA-N",11327657,NA,"PDBC36599","734925","Present",NA,NA
+"36600","Flavenochromane C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flavenochromane C",NA,"CC1(CCC2=C3C(=C(C=C2O1)OC)C(=O)C(=C(O3)C4=CC=C(C=C4)O)O)C","FHQZGKHNFJNQLJ-UHFFFAOYSA-N",11451469,NA,"PDBC36600","734926","Present",NA,NA
+"36601","Flavofungin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flavofungin",NA,"CC1C=CC(CC(CC(CC(CC(CC(CC(C(C(CC=CC=CC=CC=CC=CC(=O)OC1C(C)C)O)C)O)O)O)O)O)O)O","GBVIQYQFMPWELT-VNYSJGGHSA-N",5384323,NA,"PDBC36601","324065","Present",NA,NA
+"36602","Flavokawain b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CHALCONE,2-HYDROXY-4,6-DIMETHYL",NA,"COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2)O","QKQLSQLKXBHUSO-CMDGGOBGSA-N",5356121,NA,"PDBC36602","51351","Present",NA,NA
+"36603","Flavonid, 6[4,3]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flavonid, 6[4,3]",NA,"COC1=CC2=C(C=C1)OC(=CC2=O)C3=C(C(=C(C=C3)OC)OC)OC","JKOSEVFRYVUMCD-UHFFFAOYSA-N",373142,NA,"PDBC36603","649085","Present",NA,NA
+"36604","Flexinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"flexinine",NA,"C1CN2CC3=CC4=C(C=C3C15C2CC(C6C5O6)O)OCO4","WWSZBGJLESQTHB-DMHMKPBJSA-N",398936,NA,"PDBC36604","709250","Present",NA,NA
+"36605","Flindulatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flindulatin",NA,"COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)OC)OC)OC","SQOMVBRIXCJFKW-UHFFFAOYSA-N",5466138,NA,"PDBC36605","678105","Present",NA,NA
+"36606","Floxacillin Na salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Floxacillin Na salt",NA,"CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O.[Na+]","OTEANHMVDHZOPB-SLINCCQESA-N",23620326,NA,"PDBC36606","277175","Present",NA,NA
+"36607","Fludara",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC312887",NA,"C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)F)N","GIUYCYHIANZCFB-UHFFFAOYSA-N",3368,NA,"PDBC36607","312887","Present",NA,NA
+"36608","Fludarabine Base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC118218///NSC124463",NA,"C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)CO)O)O)F)N","HBUBKKRHXORPQB-UHFFFAOYSA-N",3367,NA,"PDBC36608","118218///124463","Present",NA,NA
+"36609","Fludazonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fludazonium chloride(usan)",NA,"C1=CC(=CC=C1C(=O)C[N+]2=CN(C=C2)CC(C3=C(C=C(C=C3)Cl)Cl)OCC4=C(C=C(C=C4)Cl)Cl)F.[Cl-]","JWPMAPBNVNRWBX-UHFFFAOYSA-M",216228,NA,"PDBC36609","351149","Present",NA,NA
+"36610","Flufenamic acid 2-chlorophenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Chlorophenyl) 2-[3-(trifluoromethyl)anilino]benzoate",NA,"C1=CC=C(C(=C1)C(=O)OC2=CC=CC=C2Cl)NC3=CC=CC(=C3)C(F)(F)F","YDPGGYAGKTWZDD-UHFFFAOYSA-N",11538385,NA,"PDBC36610","733909","Present",NA,NA
+"36611","Flumethasone 21-pivalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Flumethasone Pivalate",NA,"CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C(C)(C)C)O)C)O)F)C)F","JWRMHDSINXPDHB-UHFFFAOYSA-N",3376,NA,"PDBC36611","107680","Present",NA,NA
+"36612","Fluopsin N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluopsin N",NA,NA,NA,NA,NA,"PDBC36612","178264","Present",NA,NA
+"36613","Fluoran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluoran",NA,"C1=CC=C2C(=C1)C(=O)OC23C4=CC=CC=C4OC5=CC=CC=C35","FWQHNLCNFPYBCA-UHFFFAOYSA-N",68994,NA,"PDBC36613","629162","Present",NA,NA
+"36614","Fluoren-2-amine, 1,3,7-tribromo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: L B656 HHJ DE EZ FE LE",NA,"C1C2=C(C=CC(=C2)Br)C3=CC(=C(C(=C31)Br)N)Br","DESWTTXWHWPCJD-UHFFFAOYSA-N",12885,NA,"PDBC36614","56677","Present",NA,NA
+"36615","Fluoren-2-amine, N-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Fluoren-2-amine, N-methyl- (9CI)",NA,"CNC1=CC2=C(C=C1)C3=CC=CC=C3C2","BHCLAVVCSLBFHS-UHFFFAOYSA-N",44294,NA,"PDBC36615","12286","Present",NA,NA
+"36616","Fluoren-9-one, 2-[bis(p-bromobenzyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluoren-9-one, 2-[bis(p-bromobenzyl)amino]-",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3)N(CC4=CC=C(C=C4)Br)CC5=CC=C(C=C5)Br","ISUTUHVJGVOEHQ-UHFFFAOYSA-N",227150,NA,"PDBC36616","18451","Present",NA,NA
+"36617","Fluoren-9-ylidenetriphenylphosphorane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625122",NA,"C1=CC=C(C=C1)P(=C2C3=CC=CC=C3C4=CC=CC=C42)(C5=CC=CC=C5)C6=CC=CC=C6","WAIYJGWQTGVSJY-UHFFFAOYSA-N",249417,NA,"PDBC36617","625122","Present",NA,NA
+"36618","Fluorene, 9-bromo-2,4,7-trichloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluorene, 9-bromo-2,4,7-trichloro-",NA,"C1=CC2=C(C=C1Cl)C(C3=C2C(=CC(=C3)Cl)Cl)Br","QOVQXCVVFBVTQL-UHFFFAOYSA-N",248608,NA,"PDBC36618","65921","Present",NA,NA
+"36619","Fluorene-2-carbamic acid, ethyl ester, thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluorene-2-carbamic acid, 9-oxo-, ethyl ester, thiosemic...",NA,"CCOC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=NNC(=S)N","BSEFXBZJKBHWQM-HKWRFOASSA-N",5464757,NA,"PDBC36619","81327","Present",NA,NA
+"36620","Fluorescein, 4,5,6,7-tetraphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluorescein, 4,5,6,7-tetraphenyl-",NA,"C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)OC35C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)C8=CC=CC=C8)C9=CC=CC=C9","BMASRXKWMMABRC-UHFFFAOYSA-N",419920,NA,"PDBC36620","119886","Present",NA,NA
+"36621","Fluoro quinolone derivatives",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FLUORO QUINOLONE DERIVATIVES",NA,"C1CN(CCN1CC(=NNC(=O)C2=CC=NC=C2)C3=CC=C(C=C3)Cl)C4=C(C=C5C(=C4)NC=C(C5=O)C(=O)O)F","UGCCHJXVOWZZMH-IWBSIUBASA-N",24203532,NA,"PDBC36621","728459","Present",NA,NA
+"36622","Fluoroanilino-azatoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluoroanilino-azatoxin",NA,"COC1=CC(=CC(=C1O)OC)C2C3=C(C(C4N2C(=O)OC4)NC5=CC=C(C=C5)F)C6=CC=CC=C6N3","KRGUDELVCQGRQE-RPGGLDLESA-N",378896,NA,"PDBC36622","662304","Present",NA,NA
+"36623","Fluorobenzofurano[2,3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fluorobenzofurano[2,3",NA,"CC12CCC3C(C1CCC2O)CCC4=CC5=C(C=C34)C6=C(O5)C=C(C=C6)F","WPUPURXAZQWXGG-IZTASLPDSA-N",45028028,NA,"PDBC36623","740792","Present",NA,NA
+"36624","Fluorocyclopentenylcytosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RX-3117",NA,"C1=CN(C(=O)N=C1N)C2C(C(C(=C2F)CO)O)O","QLLGKCJUPWYJON-HLTSFMKQSA-N",11242315,NA,"PDBC36624","785657","Present",NA,NA
+"36625","Fluorodopan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluorodopan",NA,"CC1=C(C(=O)NC(=O)N1)N(CCF)CCCl","ODACNRQBNVVGAI-UHFFFAOYSA-N",13268,NA,"PDBC36625","73754","Present",NA,NA
+"36626","Fluoroimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fluoroimide",NA,"C1=CC(=CC=C1N2C(=O)C(=C(C2=O)Cl)Cl)F","IPENDKRRWFURRE-UHFFFAOYSA-N",93228,NA,"PDBC36626","622384","Present",NA,NA
+"36627","Fluoroquinolonr DR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FLUOROQUINOLONR DR",NA,"COC1=C(N=CN=C1S(=O)(=O)C2=CC=C(C=C2)N=C3C4=C(C=CC(=C4)Cl)N(C3=O)CN5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F)OC","CDFZXNGIZZOSCW-UHFFFAOYSA-N",24204048,NA,"PDBC36627","730505","Present",NA,NA
+"36628","Fluorosalan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"flusalan",NA,"C1=CC(=CC(=C1)NC(=O)C2=C(C(=CC(=C2)Br)Br)O)C(F)(F)F","VYKKDKFTDMVOBU-UHFFFAOYSA-N",20906,NA,"PDBC36628","166520","Present",NA,NA
+"36629","Fmoc-Gly-N(CH3)OCH3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fmoc-Gly-N(CH3)OCH3",NA,"CN(C(=O)CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)OC","VSMGVPALADLUGW-UHFFFAOYSA-N",384665,NA,"PDBC36629","674710","Present",NA,NA
+"36630","Folcidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"facid",NA,"C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N","OVBPIULPVIDEAO-UHFFFAOYSA-N",135444779,NA,"PDBC36630","3073","Present",NA,NA
+"36631","Formaldehyde;2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Formaldehyde;2-hydroxy-6-propan-2-ylcyclohepta-2,4,6-trien-1-one",NA,"CC(C)C1=CC(=O)C(=CC=C1)O.C=O","OEDWYFSBEMTJLH-UHFFFAOYSA-N",257608,NA,"PDBC36631","85775","Present",NA,NA
+"36632","Formamicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Formamicin",NA,"CCCCCC1C2CC(=CC=CC(C(OC(=O)C=CC(=CC(C2O)(OCO1)C)C)C(C)C(C(C)C3(CC(C(C(O3)C)C)OC4CC(C(C(O4)C)O)O)O)O)OC)C","AUNKVZMKKDTMQP-NDUKOJCTSA-N",54608954,NA,"PDBC36632","705339","Present",NA,NA
+"36633","Formamicin,  MW=808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Formamicin,  MW=808",NA,NA,NA,NA,NA,"PDBC36633","694246","Present",NA,NA
+"36634","Formamide, N-((1Z)-2-(2,5-dihydroxyphenyl)ethenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-[2-(2,5-Dihydroxyphenyl)ethenyl]-formamide (cis Er...",NA,"C1=CC(=C(C=C1O)C=CNC=O)O","SIHZWGODIRRSRA-ARJAWSKDSA-N",5467316,NA,"PDBC36634","650438","Present",NA,NA
+"36635","Formamide, N-(4-chlorophenyl)-1-(ethylsulfinyl)-N-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Formamide, N-(4-chlorophenyl)-1-(ethylsulfinyl)-N-hydroxy-",NA,"CCS(=O)C(=O)N(C1=CC=C(C=C1)Cl)O","FYNOLGAAOWMZOK-UHFFFAOYSA-N",395596,NA,"PDBC36635","700332","Present",NA,NA
+"36636","Formamide,3-dimethyl-1-triazenyl)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Formamide, N-[4-(3,3-dimethyl-1-triazenyl)phenyl]-",NA,"CN(C)N=NC1=CC=C(C=C1)NC=O","JYMLVQVXQJFHRZ-UHFFFAOYSA-N",321881,NA,"PDBC36636","276376","Present",NA,NA
+"36637","Formerly NSC 364574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC363980",NA,"CC1C2CC=C3C2(COC14C(CC(O4)(C)C)O)C(=O)CC5(C3CCC6C5(CC7=NC8=C(CC9(C(C8)CCC1C9CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)C)N=C7C6)C)O","BVGDPXVMSLWVOD-HZMRJVDMSA-N",6711240,NA,"PDBC36637","363980","Present",NA,NA
+"36638","Formerly NSC 364575",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC363981",NA,"CC1C2CC=C3C2(COC14C(C(C(O4)(C)C)C)O)C(=O)CC5(C3CCC6C5(CC7=NC8=C(CC9(C(C8)CCC1C9CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)C)N=C7C6)C)O","RRIQAWNFJSPGFF-CZDQFVSGSA-N",6711241,NA,"PDBC36638","363981","Present",NA,NA
+"36639","Formocortal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fluderma",NA,"CC(=O)OCC(=O)C12C(CC3C1(CC(C4(C3CC(=C5C4(CCC(=C5)OCCCl)C)C=O)F)O)C)OC(O2)(C)C","QNXUUBBKHBYRFW-QWAPGEGQSA-N",289085,NA,"PDBC36639","150527","Present",NA,NA
+"36640","Formononetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Biochanin B",NA,"COC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O","HKQYGTCOTHHOMP-UHFFFAOYSA-N",5280378,NA,"PDBC36640","93360","Present",NA,NA
+"36641","Formycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Formycin A",NA,"C1=NC2=C(NN=C2C(=N1)N)C3C(C(C(O3)CO)O)O","KBHMEHLJSZMEMI-UHFFFAOYSA-N",265953,NA,"PDBC36641","102811","Present",NA,NA
+"36642","Forsythiaside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"forsythoside B",NA,"CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC(=C(C=C3)O)O)O)O)OC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O","DTOUWTJYUCZJQD-UJERWXFOSA-N",5281773,NA,"PDBC36642","729638","Present",NA,NA
+"36643","Fosquidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fosquidone",NA,"CC1C2=CC=CC=C2CN3C1=C4C(=C3)C(=O)C5=C(C4=O)C=CC=C5OP(=O)(O)OCC6=CC=CC=C6.[Na+]","PSOVPQYKBDYKJN-UHFFFAOYSA-N",20835850,NA,"PDBC36643","611615","Present",NA,NA
+"36644","Fotretamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fotretamine",NA,"C1CN1P2(=NP(=NP(=N2)(N3CC3)N4CCOCC4)(N5CC5)N6CC6)N7CC7","SCGZIPCHOAVGCL-UHFFFAOYSA-N",65800,NA,"PDBC36644","216135","Present",NA,NA
+"36645","Fpjworqegi",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TNO-155",NA,"CC1C(C2(CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl)CO1)N","UCJZOKGUEJUNIO-IINYFYTJSA-N",118238370,NA,"PDBC36645","825523","Present",NA,NA
+"36646","Fqa-TR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FQA-TR",NA,"C1CN(CC1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=C6C=CC7=CC=CC=C7C6=C5)F","QYQUMHWYIJBNPE-MRXNPFEDSA-N",400716,NA,"PDBC36646","713080","Present",NA,NA
+"36647","Fqa-TS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ir(dpm)PQ2",NA,"C1CN(CC1N)C2=C(C=C3C4=C2OC5=C(N4C=C(C3=O)C(=O)O)C=C6C=CC7=CC=CC=C7C6=C5)F","QYQUMHWYIJBNPE-INIZCTEOSA-N",400715,NA,"PDBC36647","713079","Present",NA,NA
+"36648","Fraxinellone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fraxinellone",NA,"CC1=C2C(=O)OC(C2(CCC1)C)C3=COC=C3","XYYAFLHHHZVPRN-GXTWGEPZSA-N",124039,NA,"PDBC36648","638730","Present",NA,NA
+"36649","Fraxinellonone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fraxinellonone",NA,"CC1=C2C(=O)OC(C2(CCC1=O)C)C3=COC=C3","CGHVUSLIWOGTID-GXTWGEPZSA-N",6712624,NA,"PDBC36649","701399","Present",NA,NA
+"36650","Fredericamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fredericamycin",NA,"CC=CC=CC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O","NJLAGDPRCAPJIF-VNKDHWASSA-N",135430424,NA,"PDBC36650","305263","Present",NA,NA
+"36651","Fredericamycin, potassium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fredericamycin, potassium salt",NA,"CC=CC=CC1=CC2=CC3=C(C(=C2C(=O)N1)O)C4(CC3)C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=O)C=C(C6=O)OC)O.[K+]","NNGYGYICWLYJJB-SGHJDCIMSA-N",135455438,NA,"PDBC36651","601617","Present",NA,NA
+"36652","Free base of 106594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"free base of 106594",NA,"C1=NC2=C(N1CCN(CCCl)CCCl)N=C(NC2=O)N","TYALWOPMBRFYQS-UHFFFAOYSA-N",135478597,NA,"PDBC36652","639022","Present",NA,NA
+"36653","Free base of NSC 610966",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Free base of NSC 610966",NA,"CNCC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CNC","QOYOBSQVKHEJLZ-UHFFFAOYSA-N",355990,NA,"PDBC36653","617076","Present",NA,NA
+"36654","From Dolabella auricularia (sea hare)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DOLASTATIN 10",NA,"CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C","OFDNQWIFNXBECV-MOFABKIVSA-N",54600749,NA,"PDBC36654","376128","Present",NA,NA
+"36655","From marine animal, Axinella sp.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HALICHONDRIN B",NA,"CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC(O4)C(CC(CO)O)O)C)C)OC9CC(C1=C)O2)C","FXNFULJVOQMBCW-YAWMHOIFSA-N",6711270,NA,"PDBC36655","609395","Present",NA,NA
+"36656","Frondoside A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Frondoside A",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C5CCC67C(C(CC6(C5=CCC4C3(C)C)C)OC(=O)C)C(OC7=O)(C)CCCC(C)C)C)OS(=O)(=O)O)O)OC8C(C(C(CO8)O)O)O)O)OC9C(C(C(CO9)O)OC1C(C(C(C(O1)CO)O)OC)O)O.[Na+]","JVAXTYZSDXFKMH-ULZSMZNOSA-N",54611458,NA,"PDBC36656","733624","Present",NA,NA
+"36657","Fructigenine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fructigenine A",NA,"CC(=O)N1C2C(CC3N2C(=O)C(NC3=O)CC4=CC=CC=C4)(C5=CC=CC=C51)C(C)(C)C=C","UHFSGFDEMVYYRX-ZXVJBGIBSA-N",367425,NA,"PDBC36657","637143","Present",NA,NA
+"36658","Fulvene, 6-phenyl-1,2,3,4-tetrachloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fulvene, 6-phenyl-1,2,3,4-tetrachloro-",NA,"C1=CC=C(C=C1)C=C2C(=C(C(=C2Cl)Cl)Cl)Cl","UJVQTEILOLRAQA-UHFFFAOYSA-N",230809,NA,"PDBC36658","26109","Present",NA,NA
+"36659","Fumagillin dicyclohexylamine salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fugillin dicyclohexylamine salt",NA,"CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)C=CC=CC=CC=CC(=O)O)OC)C.C1CCC(CC1)NC2CCCCC2","OLRILZDTQKZQIG-GRJGWNIVSA-N",5474187,NA,"PDBC36659","58368","Present",NA,NA
+"36660","Fumaramic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fumaric acid monoamide",NA,"C(=CC(=O)O)C(=O)N","FSQQTNAZHBEJLS-OWOJBTEDSA-N",5364140,NA,"PDBC36660","126766","Present",NA,NA
+"36661","Fumaric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FUMARIC ACID",NA,"C(=CC(=O)O)C(=O)O","VZCYOOQTPOCHFL-OWOJBTEDSA-N",444972,NA,"PDBC36661","2752","Present",NA,NA
+"36662","Fumaric acid 1-isopropyl 4-(2-nitroethenyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O4-isopropyl O1-[(E)-2-nitrovinyl] (E)-but-2-enedioate",NA,"CC(C)OC(=O)C=CC(=O)OC=C[N+](=O)[O-]","LMPCJDISZUPNJW-VNKDHWASSA-N",5470342,NA,"PDBC36662","699798","Present",NA,NA
+"36663","Fumaric acid,2,3-triazol-4-yl]methyl]-1,2,3,4-tetrahydro-5-methyl-2,4-dioxo-1-pyrimidinyl]-, diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenedioic acid, (E)-, 2-[3-[[[[2-(acetyloxy)ethoxy] ...",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN=NN2COCCOC(=O)C)C","WTJLPHBHHWAOPN-RQZCQDPDSA-N",5469901,NA,"PDBC36663","694000","Present",NA,NA
+"36664","Fumitremorgin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fumitremorgin C",NA,"CC(=CC1C2=C(CC3N1C(=O)C4CCCN4C3=O)C5=C(N2)C=C(C=C5)OC)C","DBEYVIGIPJSTOR-FHWLQOOXSA-N",403923,NA,"PDBC36664","719655","Present",NA,NA
+"36665","Funiferine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Funiferine",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)OC)C5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC","ODCYIKWOTVSPKB-UHFFFAOYSA-N",426395,NA,"PDBC36665","189487","Present",NA,NA
+"36666","Funkiosid F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Funkiosid F",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)OC1","XGYNVBAFYOIJRP-HDOHURDYSA-N",401295,NA,"PDBC36666","714601","Present",NA,NA
+"36667","Funkiosid H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Funkiosid H",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)OC2C(C(C(C(O2)C)OC2C(C(C(C(O2)C)O)O)O)O)O)O)O)O)O)C)C)C)OC1","YXPZZBVSDLNPRV-GSMWCAPGSA-N",401296,NA,"PDBC36667","714602","Present",NA,NA
+"36668","Furamidine HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenecarboximidamide, 4,4'-(2,5-furandiyl)bis-, dihydr...",NA,"C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=N)N)C(=N)N.Cl","OPUODUNVVMCWGH-UHFFFAOYSA-N",24198848,NA,"PDBC36668","305831","Present",NA,NA
+"36669","Furan,5-dihydroxy-3,3,4,4-tetramethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furan, 2,5-dihydroxy-3,3,4,4-tetramethyl-",NA,"CC1(C(OC(C1(C)C)O)O)C","JYWHYWCFYNRFPE-UHFFFAOYSA-N",357100,NA,"PDBC36669","614928","Present",NA,NA
+"36670","Furan-2-carboxamide, 3-(4-chlorophenyl)-N-cyclohexyl-5-methoxy-4-(phenylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furan-2-carboxamide, 3-(4-chlorophenyl)-N-cyclohexyl- 5-...",NA,"COC1=C(C(=C(O1)C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4","VHQGXSLLCNIINF-UHFFFAOYSA-N",386060,NA,"PDBC36670","677629","Present",NA,NA
+"36671","Furan-2-glyoxal-2'-amino thiophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furan-2-glyoxal-2'-amino thiophenol",NA,"C1=CC=C(C(=C1)N=CC(=O)C2=CC=CO2)S","FSKMEBWHONIGID-UHFFFAOYSA-N",362641,NA,"PDBC36671","626850","Present",NA,NA
+"36672","Furan-2-yl-(1-oxy-3,6-bis-trifluoromethyl-quinoxalin-2-yl)-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furan-2-yl-(1-oxy-3,6-bis-trifluoromethyl-quinoxalin-2-y...",NA,"C1=COC(=C1)C(=O)C2=[N+](C3=C(C=C(C=C3)C(F)(F)F)N=C2C(F)(F)F)[O-]","QZIBAKYHEGRVMA-UHFFFAOYSA-N",23635778,NA,"PDBC36672","741429","Present",NA,NA
+"36673","Furan-2-yl-(1-oxy-3,7-bis-trifluoromethyl-quinoxalin-2-yl)-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furan-2-yl-(1-oxy-3,7-bis-trifluoromethyl-quinoxalin-2-y...",NA,"C1=COC(=C1)C(=O)C2=[N+](C3=C(C=CC(=C3)C(F)(F)F)N=C2C(F)(F)F)[O-]","LYUHMKBXRGAIQB-UHFFFAOYSA-N",23635780,NA,"PDBC36673","741428","Present",NA,NA
+"36674","Furan-2-yl-(7-methyl-2-oxy-3-trifluoromethyl-quinoxalin-2-yl)-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furan-2-yl-(7-methyl-2-oxy-3-trifluoromethyl-quinoxalin-...",NA,"CC1=CC2=C(C=C1)[N+](=C(C(=N2)C(=O)C3=CC=CO3)C(F)(F)F)[O-]","RYPJOMJNRLVMBH-UHFFFAOYSA-N",54612671,NA,"PDBC36674","741431","Present",NA,NA
+"36675","Furan-2-yl-[6-methyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carboxy-(2?-furyl)-6(7)-methyl-3-trifluoromethylquinox...",NA,"CC1=CC2=C(C=C1)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C3=CC=CO3","NYTAEMUSNDJDIR-UHFFFAOYSA-N",24204285,NA,"PDBC36675","731197","Present",NA,NA
+"36676","Furan-2-yl-[7-methoxy-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carboxy-(2?-furyl)-7-methoxy-3-trifluoromethylquinoxal...",NA,"COC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C3=CC=CO3)C(F)(F)F)[O-]","YUHJHKUHFJPQMS-UHFFFAOYSA-N",23635645,NA,"PDBC36676","731198","Present",NA,NA
+"36677","Furan-2-yl{[(1R)-1-phenylethyl]amino}acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furan-2-yl{[(1R)-1-phenylethyl]amino}acetonitrile",NA,"CC(C1=CC=CC=C1)NC(C#N)C2=CC=CO2","KLWWALJBHIUJQT-JTDNENJMSA-N",375597,NA,"PDBC36677","655421","Present",NA,NA
+"36678","Furanonaphthoquinone I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-7-methoxy-2,3,6-trimethyl-3-(4-methylpent-3-enyl)-2H-benzo[f][1]benzofuran-5,8-dione",NA,"CC1C(C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)OC)C)(C)CCC=C(C)C","QAXYHXVBDHVKGC-UHFFFAOYSA-N",372583,NA,"PDBC36678","647943","Present",NA,NA
+"36679","Furanopetasin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672989",NA,"CC=C(C)C(=O)OC1CC(C2(CC3=C(C(C2C1)O)OC=C3C)C)C","HTJLAOAUYDTOJA-GFERIFIOSA-N",5468624,NA,"PDBC36679","672989","Present",NA,NA
+"36680","Furantetracarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"furantetracarboxylic acid (9ci)",NA,"C1(=C(OC(=C1C(=O)O)C(=O)O)C(=O)O)C(=O)O","IREPGQRTQFRMQR-UHFFFAOYSA-N",237617,NA,"PDBC36680","41309","Present",NA,NA
+"36681","Furazan, di-p-anisoyl-, 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furazan, di-p-anisoyl-, 2-oxide",NA,"COC1=CC=C(C=C1)C(=O)C2=NO[N+](=C2C(=O)C3=CC=C(C=C3)OC)[O-]","FSLCSENNTORBKX-UHFFFAOYSA-N",286532,NA,"PDBC36681","144988","Present",NA,NA
+"36682","Furazan-3-carboxaldehyde, 4-methyl-, (phenylsulfonyl)hydra-zone, 5-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furazan-3-carboxaldehyde, 4-methyl-, (phenylsulfonyl)hyd...",NA,"CC1=[N+](ON=C1C=NNS(=O)(=O)C2=CC=CC=C2)[O-]","RKIBFIWUSZXGCO-YRNVUSSQSA-N",9555896,NA,"PDBC36682","647714","Present",NA,NA
+"36683","Furcelleran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furcelleran",NA,"CCOC(=O)C1=C(NC(=C(C1C#CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C4=CC=CC=C4)C","SNVFDPHQAOXWJZ-UHFFFAOYSA-N",393594,NA,"PDBC36683","695673","Present",NA,NA
+"36684","Furo[2, 2,3,3a,8a-tetrahydro-5,7-diiodo-4,6-dimethoxy-, cis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[2,3-b]benzofuran, 2,3,3a,8a-tetrahydro-5,7-diiodo-4...",NA,"COC1=C(C(=C(C2=C1C3CCOC3O2)I)OC)I","VHEQJWAVLIMVCO-KQDJYFMNSA-N",367177,NA,"PDBC36684","636672","Present",NA,NA
+"36685","Furo[2, 2,3,3a,8a-tetrahydro-6-methoxy-, cis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[2,3-b]benzofuran-4-ol, 2,3,3a,8a-tetrahydro-6-metho...",NA,"COC1=CC(=C2C3CCOC3OC2=C1)O","YNPOSBONXFRQDW-HQJQHLMTSA-N",367176,NA,"PDBC36685","636671","Present",NA,NA
+"36686","Furo[3',7]naphtho[2,3-d]-1,3-dioxol-6(5H)-one, 9-[(4-fluorophenyl)amino]-5,8,8a,9-tetrahydro-5-(4-hydroxy-3,5-dimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[3',4':6,7]naphtho[2,3-d]-1,3-dioxol-6(5H)-one, 9-[(...",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)F","OWZJVOYADMZDSO-PUEOPUMLSA-N",363651,NA,"PDBC36686","628679","Present",NA,NA
+"36687","Furo[3,4-b][1,4]benzodioxine-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furo[3,4-b][1,4]benzodioxine-1,3-dione",NA,"C1=CC=C2C(=C1)OC3=C(O2)C(=O)OC3=O","LWXNCFYEJKHXFE-UHFFFAOYSA-N",357617,NA,"PDBC36687","617141","Present",NA,NA
+"36688","Furodysinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furodysinin",NA,"CC1=CC2CC3=C(C=CO3)C(C2CC1)(C)C","OSSOIKJYWQAIQR-VXGBXAGGSA-N",360188,NA,"PDBC36688","622160","Present",NA,NA
+"36689","Furospongolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775913",NA,"CC(=CCCC(=CCCC1=COC=C1)C)CCCC2=CC(=O)OC2","WCHKEOQZUQGPSS-ZTRBTYSCSA-N",21637526,NA,"PDBC36689","775913","Present",NA,NA
+"36690","Fusarubin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fusarubin",NA,"CC1(CC2=C(CO1)C(=C3C(=O)C=C(C(=O)C3=C2O)OC)O)O","FKJXMYJPOKQPSS-UHFFFAOYSA-N",73421,NA,"PDBC36690","106193","Present",NA,NA
+"36691","Fusigen, triacetyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FUSIGEN, TRIACETYL",NA,"CC1=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC(C(=O)OCCC(=CC(=O)N(CCCC(C(=O)OCC1)NC(=O)C)O)C)NC(=O)C)O)C)NC(=O)C)O.[Fe]","PJECCKYLTMQOCP-NXDOYQDCSA-N",54607411,NA,"PDBC36691","295379","Present",NA,NA
+"36692","Fusion protein 59 (FP59) plus Protective Antigen (PA)at ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fusion protein 59 (FP59) plus Protective Antigen (PA)at ...",NA,NA,NA,NA,NA,"PDBC36692","720308","Present",NA,NA
+"36693","Futibatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"futibutinib",NA,"COC1=CC(=CC(=C1)C#CC2=NN(C3=NC=NC(=C23)N)C4CCN(C4)C(=O)C=C)OC","KEIPNCCJPRMIAX-HNNXBMFYSA-N",71621331,NA,"PDBC36693","813488","Present",NA,NA
+"36694","G-749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"G-749",NA,NA,NA,NA,NA,NA,NA,"PDBC36694",NA,"Absent",NA,NA
+"36695","G1 antibody",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"G1 antibody",NA,NA,NA,NA,NA,"PDBC36695","740290","Present",NA,NA
+"36696","G3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"G3",NA,NA,NA,NA,NA,NA,"PDBC36696",NA,"Absent",NA,NA
+"36697","GALFVTLALVXPCQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GALFVTLALVXPCQ-UHFFFAOYSA-N",NA,"C(C1=C(NC(=C1CC(C(C(F)(F)F)(F)F)(F)F)C(=O)O)C(=O)O)C(C(C(F)(F)F)(F)F)(F)F","GALFVTLALVXPCQ-UHFFFAOYSA-N",361844,NA,"PDBC36697","625160","Present",NA,NA
+"36698","GBFRCHJWZOUGOA-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GBFRCHJWZOUGOA-UHFFFAOYSA-N",NA,"COC1=C(C=C2C3CC4=CC=CC=C4CCN3CCC2=C1)OC","GBFRCHJWZOUGOA-UHFFFAOYSA-N",384200,NA,"PDBC36698","673605","Present",NA,NA
+"36699","GCFJZCNIRGYKRX-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GCFJZCNIRGYKRX-UHFFFAOYSA-N",NA,"CN1C2=NSC(=C2C(=O)N(C1=O)C)N(C)C","GCFJZCNIRGYKRX-UHFFFAOYSA-N",370131,NA,"PDBC36699","642721","Present",NA,NA
+"36700","GCFLTOLIWWOBOI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GCFLTOLIWWOBOI-UHFFFAOYSA-N",NA,"CC(=O)C(=CC1=CC=C(C=C1)C=C(C(=O)C)C(=O)C)C(=O)C","GCFLTOLIWWOBOI-UHFFFAOYSA-N",354777,NA,"PDBC36700","607320","Present",NA,NA
+"36701","GCHCAFIIXGRBLS-UHFFFAOYSA-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GCHCAFIIXGRBLS-UHFFFAOYSA-",NA,"C1CN2C(=NSC2=S)N1","GCHCAFIIXGRBLS-UHFFFAOYSA-N",135405388,NA,"PDBC36701","725856","Present",NA,NA
+"36702","GDC-0339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GDC-0339",NA,"CN1C(=C(C=N1)NC(=O)C2=C(SC(=N2)C3=C(C=CC=C3F)F)N)N4CCC(C(CC4)F)N","NHXVGMQFCYBLTL-ZWNOBZJWSA-N",73603034,NA,"PDBC36702","791495","Present",NA,NA
+"36703","GDC-0927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GDC-0927",NA,"CC1=C(C(OC2=C1C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CC(C4)CF)C5=CC(=CC=C5)O","KJAAPZIFCQQQKX-NDEPHWFRSA-N",87055263,NA,"PDBC36703","812902","Present",NA,NA
+"36704","GEL-I-195-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GEL-I-195-1",NA,"CC12CCC(C13CO3)OC4=C2C=C(C=C4)OC","YARPTZLUZXARAZ-UHFFFAOYSA-N",323476,NA,"PDBC36704","283834","Present",NA,NA
+"36705","GGDWSLGIKROZFN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GGDWSLGIKROZFN-UHFFFAOYSA-N",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)NC(C(=O)OCC)(C(F)(F)F)O)O","GGDWSLGIKROZFN-UHFFFAOYSA-N",383658,NA,"PDBC36705","672076","Present",NA,NA
+"36706","GGSDBHVRVRCVOZ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GGSDBHVRVRCVOZ-UHFFFAOYSA-N",NA,"CCNC1CC(OC1CO)N2C=C(C(=O)NC2=O)C","GGSDBHVRVRCVOZ-UHFFFAOYSA-N",372769,NA,"PDBC36706","648389","Present",NA,NA
+"36707","GGXRRDIBUFTXIE-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GGXRRDIBUFTXIE-UHFFFAOYSA-N",NA,"C1C(S(=O)C2=CC=CC=C2NC1=O)C3=CC=CC=C3","GGXRRDIBUFTXIE-UHFFFAOYSA-N",381140,NA,"PDBC36707","667458","Present",NA,NA
+"36708","GHTGDLQPUQIRFH-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GHTGDLQPUQIRFH-UHFFFAOYSA-N",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=S)N","GHTGDLQPUQIRFH-UHFFFAOYSA-N",3005236,NA,"PDBC36708","684972","Present",NA,NA
+"36709","GJHCADNBXOGIHI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GJHCADNBXOGIHI-UHFFFAOYSA-N",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)SC(=O)N(C)C","GJHCADNBXOGIHI-UHFFFAOYSA-N",395497,NA,"PDBC36709","700139","Present",NA,NA
+"36710","GLEMYYHYOHRBLT-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GLEMYYHYOHRBLT-UHFFFAOYSA-N",NA,"CC1(CC(=C)C(=O)O1)COC2=CC3=C(C=C2)C=CC(=O)O3","GLEMYYHYOHRBLT-UHFFFAOYSA-N",381505,NA,"PDBC36710","668261","Present",NA,NA
+"36711","GM 1489 CalBioChem Cat. No. 364200",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GM 1489 CalBioChem Cat. No. 364200",NA,"CC(C)CC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C3=CC=CC=C3","BLPWNGOQQLJQOL-NRYAXDJKSA-N",10322165,NA,"PDBC36711","727678","Present",NA,NA
+"36712","GNE-140 (racemate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNE-140",NA,"C1COCCN1C2=CC=C(C=C2)C3(CC(=O)C(C(=O)N3)SC4=CC=CC=C4Cl)C5=CSC=C5","GLDDJXYFHWRGPI-UHFFFAOYSA-N",118384725,NA,"PDBC36712","799908","Present",NA,NA
+"36713","GNE-617",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNE-617",NA,"C1=CC(=CC=C1CNC(=O)C2=CN3C=CN=C3C=C2)S(=O)(=O)C4=CC(=CC(=C4)F)F","XRDVXQQZLHVEQZ-UHFFFAOYSA-N",68277611,NA,"PDBC36713","779407","Present",NA,NA
+"36714","GNF-PF-2664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-PF-2664",NA,"C1CN2C(=N1)C3=C(C2(C4=CC5=CC=CC=C5C=C4)O)C6=CC=CC=C6C7=CC=CC=C73","VEOHXIUSARYQDP-UHFFFAOYSA-N",403510,NA,"PDBC36714","718510","Present",NA,NA
+"36715","GNF-Pf-4066",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-Pf-4066",NA,"CN1CCC2=CC3=C(C4=C2C1CC5=C4C=CC(=C5)OC)OCO3","GXFOBPWUVXXUIF-UHFFFAOYSA-N",343548,NA,"PDBC36715","383229","Present",NA,NA
+"36716","GNMLNGDFMLEYNR-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNMLNGDFMLEYNR-UHFFFAOYSA-N",NA,"C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)C#N)N","GNMLNGDFMLEYNR-UHFFFAOYSA-N",402862,NA,"PDBC36716","717147","Present",NA,NA
+"36717","GP0210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GP0210",NA,"CCC(CO)NC1=NC2=C(C=NN2C(=N1)NCC3=CC=CC=C3)C(C)C","SQUNOCMDMIQIQK-OAHLLOKOSA-N",25190761,NA,"PDBC36717","743927","Present",NA,NA
+"36718","GPRXWDOJSMVDHQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GPRXWDOJSMVDHQ-UHFFFAOYSA-N",NA,"CC(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])CCl","GPRXWDOJSMVDHQ-UHFFFAOYSA-N",4365483,NA,"PDBC36718","692739","Present",NA,NA
+"36719","GR105659X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GR105659X",NA,"C1CC(=C2C3=CC=CC=C3NC2=O)C4=C1C=C(C=C4)O","VZCJCGYMMSXPBM-SSZFMOIBSA-N",44386338,NA,"PDBC36719","756130","Present",NA,NA
+"36720","GR269666A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GR269666A",NA,"C1=CC=C(C=C1)CC2=NC3=C(N2)C=C(C=C3)NC4=NC=NC5=CC=CC=C54","DTDOKRXSUWPVDY-UHFFFAOYSA-N",44279376,NA,"PDBC36720","756131","Present",NA,NA
+"36721","GS-389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GS-389",NA,"COC1=CC=C(C=C1)CC2C3=CC(=C(C=C3CCN2)OC)OC","GXTUEUWFEKEQHJ-UHFFFAOYSA-N",170524,NA,"PDBC36721","645299","Present",NA,NA
+"36722","GS-9901",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GS-9901",NA,"C1CC1C(C2=NC3=C(C=CC(=C3C(=O)N2C4=CN=CC=C4)Cl)F)NC5=NC(=NC(=C5C#N)N)N","XDSXYMOZKDUASY-INIZCTEOSA-N",86763204,NA,"PDBC36722","798799","Present",NA,NA
+"36723","GSK screening, 25",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK614526A",NA,"CCN1C2=C(C(=NC=C2OCC3CCCN3)C#CC(C)(C)O)N=C1C4=NON=C4N","BKDRXZKRHMEDHE-LBPRGKRZSA-N",53239965,NA,"PDBC36723","756182","Present",NA,NA
+"36724","GSK screening, 32",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW297361X///GW589933X",NA,"C1=CC(=CC=C1N=CC2=C(NC3=C2C4=C(C=C3)N=CS4)O)S(=O)(=O)N","OTEUBDUXVNFEFC-UHFFFAOYSA-N",135421144,NA,"PDBC36724","756210///756288","Present",NA,NA
+"36725","GSK-2194069",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-2194069",NA,"C1CC1C(=O)N2CCC(C2)CC3=NNC(=O)N3C4=CC=C(C=C4)C5=CC6=C(C=C5)OC=C6","AQTPWCUIYUOEMG-INIZCTEOSA-N",67376285,NA,"PDBC36725","792955","Present",NA,NA
+"36726","GSK-2879552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-2879552",NA,"C1CN(CCC1CNC2CC2C3=CC=CC=C3)CC4=CC=C(C=C4)C(=O)O","LRULVYSBRWUVGR-FCHUYYIVSA-N",66571643,NA,"PDBC36726","783917","Present",NA,NA
+"36727","GSK-3326595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-3326595",NA,"CC(=O)N1CCC(CC1)NC2=NC=NC(=C2)C(=O)NCC(CN3CCC4=CC=CC=C4C3)O","JLCCNYVTIWRPIZ-NRFANRHFSA-N",90241742,NA,"PDBC36727","800404","Present",NA,NA
+"36728","GSK-3368715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-3368715",NA,"CCOCC1(CCC(CC1)C2=C(C=NN2)CN(C)CCNC)COCC","SPEGERVLTUWZPA-UHFFFAOYSA-N",90462880,NA,"PDBC36728","823806","Present",NA,NA
+"36729","GSK-921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-921",NA,"CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)Cl)CC4=CC=CC=C4)C(C)C","PGXYIBJJCLWJST-UHFFFAOYSA-N",22345245,NA,"PDBC36729","773261","Present",NA,NA
+"36730","GSK-LSD1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LSD1",NA,NA,NA,NA,NA,NA,NA,"PDBC36730",NA,"Absent",NA,NA
+"36731","GSK1000163A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1000163A",NA,"CCN1C2=C(C(=NC(=C2)CN3CCCC3)C#CC(C)(C)O)N=C1C4=NON=C4N","JHBURLBWOXZZGX-UHFFFAOYSA-N",11959377,NA,"PDBC36731","756132","Present",NA,NA
+"36732","GSK1007102B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1007102B",NA,"CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OC(CN)C4=CC=CC=C4","VLGIYSJSJHPDHN-KRWDZBQOSA-N",11959314,NA,"PDBC36732","756133","Present",NA,NA
+"36733","GSK1023156A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1023156A",NA,"C1=CC=C(C(=C1)COC2=C(SC(=C2)N3C=NC4=CC=CC=C43)C(=O)N)Br","BWZJWBWWGBNPLH-UHFFFAOYSA-N",25263083,NA,"PDBC36733","756134","Present",NA,NA
+"36734","GSK1030058A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1030058A",NA,"COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)OC)OCC4=CC=CC=C4C(F)(F)F)OC","QRODFHXJGMZHTM-UHFFFAOYSA-N",25263110,NA,"PDBC36734","756135","Present",NA,NA
+"36735","GSK1030059A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1030059A",NA,"CC(=O)C1=C(C=C(S1)N2C=NC3=CC(=C(C=C32)OC)OC)OCC4=CC=CC=C4C(F)(F)F","JFNQBWFEGWHHDQ-UHFFFAOYSA-N",25263114,NA,"PDBC36735","756136","Present",NA,NA
+"36736","GSK1030061A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1030061A",NA,"CNC(=O)C1=C(C=C(S1)N2C=NC3=CC(=C(C=C32)OC)OC)OCC4=CC=CC=C4C(F)(F)F","ZBDRKUGDFBDQJP-UHFFFAOYSA-N",25263115,NA,"PDBC36736","756137","Present",NA,NA
+"36737","GSK1173862A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1173862A",NA,"CCCN1CCCC(C1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=CC(=C5)F)C(=O)N)OC","LZOWLPPKVLNYEG-UHFFFAOYSA-N",25218600,NA,"PDBC36737","756139","Present",NA,NA
+"36738","GSK1220512A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1220512A",NA,"CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=C(C=C5)F)C(=O)N)OC","IBROMPXLFSIBRF-UHFFFAOYSA-N",25218614,NA,"PDBC36738","756140","Present",NA,NA
+"36739","GSK1326255A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1326255A",NA,"CCCN1CCC(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=CC(=C5)F)C(=O)N)OC","UKKOZAHWQFYYRW-UHFFFAOYSA-N",25218601,NA,"PDBC36739","756141","Present",NA,NA
+"36740","GSK1392956A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1392956A",NA,"CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C=C(C=C5)F)C(=O)NCC(CO)O)OC","SAWLOYCVNOMZOQ-UHFFFAOYSA-N",53338690,NA,"PDBC36740","756142","Present",NA,NA
+"36741","GSK1511931A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1511931A",NA,"CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=CC=CC6=C5C=CC=N6)OC","PEPOAPKYASCEKL-UHFFFAOYSA-N",44581765,NA,"PDBC36741","756143","Present",NA,NA
+"36742","GSK1713088A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1713088A",NA,"CCCN1CCC(CC1)OC2=C(C=C(C(=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C(=CC=C5)F)C(=O)N)OC)Cl","GGQTUXCKDZGJDL-UHFFFAOYSA-N",25218571,NA,"PDBC36742","756144","Present",NA,NA
+"36743","GSK1751853A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1751853A",NA,"CC(C)N1CCN(CC1)CC(=O)N2CCC3=CC(=C(C=C32)NC4=NC5=C(C=CN5)C(=N4)NC6=C(C(=CC=C6)F)C(=O)N)OC","NYPPEWQPHYILTM-UHFFFAOYSA-N",25218584,NA,"PDBC36743","756145","Present",NA,NA
+"36744","GSK180736A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK180736A",NA,"CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)NN=C4","HEAIGWIZTYAQTC-UHFFFAOYSA-N",11233873,NA,"PDBC36744","756146","Present",NA,NA
+"36745","GSK1819799A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK1819799A",NA,"CC(C)N1CCN(CC1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=C(C(=CC=C5)F)C(=O)O)OC","CMBHUJIHAZQWHO-UHFFFAOYSA-N",44581245,NA,"PDBC36745","756147","Present",NA,NA
+"36746","GSK192082A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK192082A",NA,"CCNC(=O)OC1CC(NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","IYINYGZMZPUBOK-TZIWHRDSSA-N",11307581,NA,"PDBC36746","756149","Present",NA,NA
+"36747","GSK200398A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK200398A",NA,"C1COCCN1C(=O)OC2CC(NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC6=C(C=C5)N(N=C6)CC7=CC=CC=C7","SDHRCQGCPUPURT-ILBGXUMGSA-N",25263257,NA,"PDBC36747","756150","Present",NA,NA
+"36748","GSK204925A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK204925A",NA,"COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCCC4=CC=CC=C4)OC","WJXHPWZUPIMHJP-UHFFFAOYSA-N",25263099,NA,"PDBC36748","756151","Present",NA,NA
+"36749","GSK2110236A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK2110236A",NA,"CN(C)CC(=O)N1CCCC2=CC(=C(C=C21)NC3=NC4=C(C=CN4)C(=N3)NC5=C(SC=C5)C(=O)N)OC","KKPGTCOUMOPLRX-UHFFFAOYSA-N",25210971,NA,"PDBC36749","756152","Present",NA,NA
+"36750","GSK2163632A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK2163632A",NA,"CC1(CCN(C2=CC(=C(C=C21)OC)NC3=NC4=C(C=CN4)C(=N3)NC5=C(SC=C5)C(=O)N)C(=O)CN(C)C)C","YNSCKPCDFIDINW-UHFFFAOYSA-N",25210972,NA,"PDBC36750","756153","Present",NA,NA
+"36751","GSK2186269A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK2186269A",NA,"CN(C)CC(=O)N1CCC2=CC(=C(C=C21)NC3=NC4=C(C=CN4)C(=N3)N5CCC6=CC=CC=C65)OC","MUCIWJFQZDAZJT-UHFFFAOYSA-N",44581222,NA,"PDBC36751","756154","Present",NA,NA
+"36752","GSK2213727A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK2213727A",NA,"CC1=CC(=C(C=C1NC(=O)CN(C)C)NC2=NC3=C(C=CN3)C(=N2)NC4=C(C(=CC=C4)F)C(=O)N)OC","IKWHWJFNGWUVIJ-UHFFFAOYSA-N",25211574,NA,"PDBC36752","756155","Present",NA,NA
+"36753","GSK2219385A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK2219385A",NA,"CC1=CC(=C(C=C1N(C)C(=O)CN(C)C)NC2=NC3=C(C=CN3)C(=N2)NC4=C(C(=CC=C4)F)C(=O)N)OC","ZUXJDKZUOTZPMQ-UHFFFAOYSA-N",25218573,NA,"PDBC36753","756156","Present",NA,NA
+"36754","GSK2220400A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK2220400A",NA,"CNC(=O)C1=C(C=CC=N1)NC2=NC(=NC3=C2C=CN3)NC4=C(C=C5CCCN(C5=C4)C(=O)CN(C)C)OC","OBMZKUNRGPCSLT-UHFFFAOYSA-N",53239988,NA,"PDBC36754","756157","Present",NA,NA
+"36755","GSK237700A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK237700A",NA,"CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=CC(=C(C=C43)OC)OC)C(=O)N","UHCHLTQBLNUYRT-LBPRGKRZSA-N",25263117,NA,"PDBC36755","756158","Present",NA,NA
+"36756","GSK237701A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK237701A",NA,"CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=CC(=C(C=C43)OC)OC)C(=O)N","UHCHLTQBLNUYRT-GFCCVEGCSA-N",11957417,NA,"PDBC36756","756167","Present",NA,NA
+"36757","GSK238583A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK238583A",NA,"C1COCCN1C(=O)OC2CC(NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC=C(C=C5)CC6=CC=CC=C6","QAOIGWCWWITZTC-JWQCQUIFSA-N",25263254,NA,"PDBC36757","756159","Present",NA,NA
+"36758","GSK248233A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK248233A",NA,"CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)N(C)C","KODFUVBIVXFWPF-UHFFFAOYSA-N",16099859,NA,"PDBC36758","756160","Present",NA,NA
+"36759","GSK259178A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK259178A",NA,"C1COCCN1C(=O)OC2CC(NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC6=C(C=C5)N(C=C6)CC7=C(C=CC(=C7)F)F","MQEINKICQAEAMJ-ILBGXUMGSA-N",53239942,NA,"PDBC36759","756161","Present",NA,NA
+"36760","GSK270822A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK270822A",NA,"CC1=C(C(CC(=O)N1)C2=CC3=CC=CC=C3C=C2)C(=O)NC4=CC5=C(C=C4)NN=C5","ODLNBFNBEPOFNC-UHFFFAOYSA-N",11269477,NA,"PDBC36760","756163","Present",NA,NA
+"36761","GSK299115A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK299115A",NA,"CC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC4=C(C=C3)NN=C4","RHTXWIKPNGROHZ-UHFFFAOYSA-N",11247002,NA,"PDBC36761","756164","Present",NA,NA
+"36762","GSK300014A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK300014A",NA,"CS(=O)(=O)CCNCC1=CC(=CS1)C2=CC3=C(N=CN=C3S2)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","NXPQOKLTKBGJEH-UHFFFAOYSA-N",44571414,NA,"PDBC36762","756165","Present",NA,NA
+"36763","GSK312948A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK312948A",NA,"COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CS4)OC","UKFXNDDYHAHTEM-UHFFFAOYSA-N",25263103,NA,"PDBC36763","756166","Present",NA,NA
+"36764","GSK317314A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK317314A",NA,"CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC)C(=O)N","YWNUJKWNTHEOIR-GFCCVEGCSA-N",25263118,NA,"PDBC36764","756169","Present",NA,NA
+"36765","GSK317315A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK317315A",NA,"CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC)C(=O)N","CVLJBLIMHPEZJC-GFCCVEGCSA-N",25263119,NA,"PDBC36765","756170","Present",NA,NA
+"36766","GSK317354A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK317354A",NA,"CC1=C(C(N=C(N1)C2=CN=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)F)C(=O)NC4=CC5=C(C=C4)NN=C5","VTWIDKVFGFLBGO-UHFFFAOYSA-N",11569498,NA,"PDBC36766","756171","Present",NA,NA
+"36767","GSK326090A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK326090A",NA,"CC(C1=CC=CC=C1C(F)(F)F)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OCC5CCN(CC5)C)C(=O)N","OPJOIUDMJCRLNO-QGZVFWFLSA-N",25263123,NA,"PDBC36767","756173","Present",NA,NA
+"36768","GSK466317A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK466317A",NA,"CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NC3=CC4=C(C(=C3)Cl)NN=C4","OYNBTBJATZVIGH-UHFFFAOYSA-N",11751266,NA,"PDBC36768","756175","Present",NA,NA
+"36769","GSK554170A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK554170A",NA,"CCN1C2=C(C(=NC=C2OCC3CCNCC3)C#CC(C)(C)O)N=C1C4=NON=C4N","NTPAYIOIMIUCMN-UHFFFAOYSA-N",25023730,NA,"PDBC36769","756176","Present",NA,NA
+"36770","GSK561866B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK561866B",NA,"CCN1C2=C(C(=NC=C2OCCCN)C#CCN)N=C1C3=NON=C3N","AOKADEMCVOQECP-UHFFFAOYSA-N",25023728,NA,"PDBC36770","756177","Present",NA,NA
+"36771","GSK571989A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK571989A",NA,"CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OCC5CCN(CC5)C)C(=O)N","FCJBLTLQBCHRIE-QGZVFWFLSA-N",25263124,NA,"PDBC36771","756178","Present",NA,NA
+"36772","GSK579289A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK579289A",NA,"CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OC5CCN(CC5)C)C(=O)N","GILNGUYOGYOZMP-MRXNPFEDSA-N",16051023,NA,"PDBC36772","756179","Present",NA,NA
+"36773","GSK619487A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK619487A",NA,"CCN1C2=C(C(=NC=C2OC3CCNCC3)C#CC(C)(C)O)N=C1C4=NON=C4N","OEMAOMXEFJMDSR-UHFFFAOYSA-N",25023734,NA,"PDBC36773","756183","Present",NA,NA
+"36774","GSK620503A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK620503A",NA,"C1=CC(=CC=C1C2=CC(=C(C(=C2)C(=O)N)N)C3=CC=NC=C3)F","INRJBVLMKPWSHK-UHFFFAOYSA-N",16048303,NA,"PDBC36774","756184","Present",NA,NA
+"36775","GSK635416A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK635416A",NA,"CNC(=O)C1=CC(=CC(=C1N)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)C4=CC=C(C=C4)F","UZFISAOOMRYRDS-UHFFFAOYSA-N",25190921,NA,"PDBC36775","756186","Present",NA,NA
+"36776","GSK711701A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK711701A",NA,"COC1=C(C=C(C=C1C(=O)N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)N","PGMGCWOOCLJXIF-UHFFFAOYSA-N",25190926,NA,"PDBC36776","756187","Present",NA,NA
+"36777","GSK718429A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK718429A",NA,"CCN1C=C(C(=N1)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)OCC4=CC=CC=C4)C5=C6C=CNC6=NC=C5","QNTVJRSWYJREKJ-UHFFFAOYSA-N",44587530,NA,"PDBC36777","756188","Present",NA,NA
+"36778","GSK938890A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK938890A",NA,"CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OCC(C4=CC=CC=C4)N","NPRGDRYIMFLLIG-OAHLLOKOSA-N",11959682,NA,"PDBC36778","756189","Present",NA,NA
+"36779","GSK943949A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK943949A",NA,"CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OCC(C4=CC=CC=C4)N","NPRGDRYIMFLLIG-HNNXBMFYSA-N",11959683,NA,"PDBC36779","756208","Present",NA,NA
+"36780","GSK949675A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK949675A",NA,"CCN1C2=CC(=NC(=C2N=C1C3=NON=C3N)C#CC(C)(C)O)OCCNC","RYFDZZFKNCPTJF-UHFFFAOYSA-N",11959600,NA,"PDBC36780","756190","Present",NA,NA
+"36781","GSK969786A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK969786A",NA,"C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=C4C=C(SC4=NC=N3)C5=CC=CO5)Cl","ZXVPQQUYVOHTBO-UHFFFAOYSA-N",44571435,NA,"PDBC36781","756192","Present",NA,NA
+"36782","GSK978744A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK978744A",NA,"CC(C1=CC=CC=C1Cl)OC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)OCC(CO)O)C(=O)N","JVAPIYLPNKDKAQ-KGLIPLIRSA-N",25263120,NA,"PDBC36782","756193","Present",NA,NA
+"36783","GSK994854A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK994854A",NA,"CCCN1CCC=C(C1)C2=CC(=C(C=C2)NC3=NC4=C(C=CN4)C(=N3)NC5=CC=CC=C5C(=O)N)C","MCHOTIIDAJHLED-UHFFFAOYSA-N",25218593,NA,"PDBC36783","756195","Present",NA,NA
+"36784","GTPL10345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GTPL10345",NA,"C1COCCN1C2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O","CXJKJCXMTXTQKK-UHFFFAOYSA-N",378629,NA,"PDBC36784","661421","Present",NA,NA
+"36785","GTPL8141",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GTPL8141",NA,"CC1=C(C=C(C=C1)O)C2=CN3C4=C(N=C3N2C5=CC=CC=C5OC)N(C(=O)NC4=O)C","JTWMOWRMSZZHDR-UHFFFAOYSA-N",44478401,NA,"PDBC36785","752203","Present",NA,NA
+"36786","GULF COMPOUND, PRODRUG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GULF COMPOUND, PRODRUG",NA,"C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C(CC7=CC=CC=C7)N)N","SXBPNXYVYHMTCJ-UHFFFAOYSA-N",353257,NA,"PDBC36786","373965","Present",NA,NA
+"36787","GUWBLBZMTCXBOG-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GUWBLBZMTCXBOG-UHFFFAOYSA-N",NA,"CC1CN(C2=C1C(=C(C(=C2)C)OC(=O)C)C)C(=O)C","GUWBLBZMTCXBOG-UHFFFAOYSA-N",382326,NA,"PDBC36787","669795","Present",NA,NA
+"36788","GUZAEXKIKUZYTO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GUZAEXKIKUZYTO-UHFFFAOYSA-N",NA,"CCOC(=O)C1=C(OCC1=O)NC2=CC=C(C=C2)Br","GUZAEXKIKUZYTO-UHFFFAOYSA-N",360720,NA,"PDBC36788","623056","Present",NA,NA
+"36789","GVELGZSFVZANIL-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GVELGZSFVZANIL-UHFFFAOYSA-N",NA,"CC1=NN(C(=S)N(C1=O)C)C","GVELGZSFVZANIL-UHFFFAOYSA-N",245197,NA,"PDBC36789","56902","Present",NA,NA
+"36790","GW275616X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW275616X",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C=NC3=CC(=CC=C3)S(=O)(=O)N","WVFPKBPVRZSLFD-UHFFFAOYSA-N",135398493,NA,"PDBC36790","756196","Present",NA,NA
+"36791","GW275944X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW275944X",NA,"CC1=CC2=C(C=C1)NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O","AEQVIUQQIMQNRU-UHFFFAOYSA-N",3323623,NA,"PDBC36791","756197","Present",NA,NA
+"36792","GW278681X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW278681X",NA,"CS(=O)(=O)NC1=CC=C(C=C1)N=CC2=C(NC3=CC=CC=C32)O","ZYYJEUHZKGIYQJ-UHFFFAOYSA-N",135418262,NA,"PDBC36792","756199","Present",NA,NA
+"36793","GW282449A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW282449A",NA,"COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5)OC","YILRBOLKDDWRKU-UHFFFAOYSA-N",44279443,NA,"PDBC36793","756202","Present",NA,NA
+"36794","GW282536X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW282536X",NA,"CC1=C2C(=CC=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)S(=O)(=O)N","OAGABTOOWNSMLX-UHFFFAOYSA-N",135434997,NA,"PDBC36794","756203","Present",NA,NA
+"36795","GW282974X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW282974X",NA,"CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N(N=C4)CC5=CC=CC=C5","DYYZXRCFCVDSKD-UHFFFAOYSA-N",6603857,NA,"PDBC36795","756204","Present",NA,NA
+"36796","GW284372X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW284372X",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC=CO5","CJQVGTFFDYKCRG-UHFFFAOYSA-N",22609796,NA,"PDBC36796","756205","Present",NA,NA
+"36797","GW284408X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW284408X",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C=NC3=CC4=C(C=C3)NC(=O)N4","MOONDQKIASIDGX-UHFFFAOYSA-N",135482293,NA,"PDBC36797","756206","Present",NA,NA
+"36798","GW290597X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW290597X",NA,"C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)C(=O)NCCCN4C=CN=C4)O)S(=O)(=O)N","IONNIVUSNDKSMT-UHFFFAOYSA-N",135434988,NA,"PDBC36798","756207","Present",NA,NA
+"36799","GW296115X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW296115X",NA,"COC1=CC2=C(C=C1)NC3=C4C(=C5C(=C23)C(=O)NC5=O)C6=C(N4)C=CC(=C6)OC","LGTURXDQKJRHSF-UHFFFAOYSA-N",5482344,NA,"PDBC36799","756209","Present",NA,NA
+"36800","GW300657X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW300657X",NA,"C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)C(=O)NCC4=CC=NC=C4)O)S(=O)(=O)N","IXZMFISRHHRXRQ-UHFFFAOYSA-N",135434989,NA,"PDBC36800","756212","Present",NA,NA
+"36801","GW300660X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW300660X",NA,"C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)C(=O)NCCC4=CN=CN4)O)S(=O)(=O)N","QPFWOQDGUBRECV-UHFFFAOYSA-N",135434987,NA,"PDBC36801","756213","Present",NA,NA
+"36802","GW301784X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW301784X",NA,"CC(C)(CNC(=O)C1=CC2=C(C=C1)NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)CO","ZPPIIWDAWGGQAA-UHFFFAOYSA-N",135434990,NA,"PDBC36802","756214","Present",NA,NA
+"36803","GW301789X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW301789X",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C=NC3=CC=C(C=C3)N4C=NC=N4","ZAWQQTPMPNRJCJ-UHFFFAOYSA-N",135506564,NA,"PDBC36803","756215","Present",NA,NA
+"36804","GW301888X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW301888X",NA,"CN(C)C1=NC=C2C(=C1)C(=NC=N2)NC3=CC4=C(C=C3)N=C(N4)CC5=CC=CC=C5","RCDUEGIHNAMABT-UHFFFAOYSA-N",22727427,NA,"PDBC36804","756216","Present",NA,NA
+"36805","GW305074X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW305074X",NA,"C1=CC2=C(C=C1I)C(=CC3=CC(=C(C(=C3)Br)O)Br)C(=O)N2","LMXYVLFTZRPNRV-KMKOMSMNSA-N",5924208,NA,"PDBC36805","756228","Present",NA,NA
+"36806","GW305178X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW305178X",NA,"C1=CNC2=CC=C3C(=C(C(=O)N3)N=NC4=CC=C(C=C4)S(=O)(=O)N)C2=C1","PXJOCPODSAQBED-UHFFFAOYSA-N",135435007,NA,"PDBC36806","756217","Present",NA,NA
+"36807","GW335962X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW335962X",NA,"CC(=NC1=CC=C(C=C1)S(=O)(=O)N)C2=C(NC3=CC=CC=C32)O","RBIXMEJKIVHVPF-UHFFFAOYSA-N",135421134,NA,"PDBC36807","756218","Present",NA,NA
+"36808","GW352430A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW352430A",NA,"C1=CC(=C2C(=C1)NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)CCC4=CC=NC=C4","YTWUJKTZUCBCKZ-UHFFFAOYSA-N",135434973,NA,"PDBC36808","756219","Present",NA,NA
+"36809","GW396574X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW396574X",NA,"CC(=CC1=C2C(=CC=C1)NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)C","ZZPQBANVXDRDLD-UHFFFAOYSA-N",135409809,NA,"PDBC36809","756220","Present",NA,NA
+"36810","GW405841X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW405841X",NA,"COC(=O)C1=CC2=C(C=C1)NC(=O)C2=CC3=CC(=C(C(=C3)Br)O)Br","XGIIRMLBZISRPR-NYYWCZLTSA-N",56603984,NA,"PDBC36810","756221","Present",NA,NA
+"36811","GW406108X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW406108X",NA,"C1=COC(=C1)C(=O)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC(=C(C(=C4)Cl)O)Cl","XKTUKRBLWOHYIL-MLPAPPSSSA-N",44312236,NA,"PDBC36811","756222","Present",NA,NA
+"36812","GW406731X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW406731X",NA,"CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C(=O)OC)C)O","OEEUGRMNVFZVEG-SNAWJCMRSA-N",44418532,NA,"PDBC36812","756223","Present",NA,NA
+"36813","GW407323A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW407323A",NA,"C1=CC2=C(C=C1C3=CSC(=N3)N)C(=CC4=CC(=C(C(=C4)Br)O)Br)C(=O)N2","KQALMYPOYXGJBX-QDEBKDIKSA-N",17982488,NA,"PDBC36813","756224","Present",NA,NA
+"36814","GW410563A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW410563A",NA,"CC1=C(C=C(C=C1)NC2=NC=NC3=CC(=C(C=C32)OC)OC)O","XRFFUVUJIBWJII-UHFFFAOYSA-N",10425574,NA,"PDBC36814","756225","Present",NA,NA
+"36815","GW416469X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW416469X",NA,"CN(C)C1=CC2=C(C=C1)NC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)N)O","NMIBTJKGMMFLAN-UHFFFAOYSA-N",135421139,NA,"PDBC36815","756226","Present",NA,NA
+"36816","GW416981X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW416981X",NA,"CC(C)COC(=O)C1=CC2=C(C=C1)NC(=C2C=NC3=CC=C(C=C3)S(=O)(=O)N)O","GULJQUMNCSFQCO-UHFFFAOYSA-N",135421141,NA,"PDBC36816","756227","Present",NA,NA
+"36817","GW427984X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW427984X",NA,"CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C(=O)N(C)C)C)O","LPZDPCXVCBSYEC-AATRIKPKSA-N",44418533,NA,"PDBC36817","756229","Present",NA,NA
+"36818","GW429374A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW429374A",NA,"C1=CC(=CN=C1)C2=CC3=C(C=C2)NC(=O)C3=CC4=CC(=C(C(=C4)Br)O)Br","CAEMFFVPJFULIV-UUASQNMZSA-N",10004994,NA,"PDBC36818","756230","Present",NA,NA
+"36819","GW432441X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW432441X",NA,"CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C(=O)NC)C)OC(=O)NC","GHHDPZAABUUQIX-AATRIKPKSA-N",44418572,NA,"PDBC36819","756231","Present",NA,NA
+"36820","GW434756X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW434756X",NA,"C1=CC2=C(C(=NN2C=C1)C3=CC=C(C=C3)F)C4=CC=NC=C4","BUAIGJRXIAKFCN-UHFFFAOYSA-N",9857146,NA,"PDBC36820","756232","Present",NA,NA
+"36821","GW435821X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW435821X",NA,"CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C(=O)N)C)O","WJVCASAEBZAPDS-ONEGZZNKSA-N",44418540,NA,"PDBC36821","756233","Present",NA,NA
+"36822","GW439255X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW439255X",NA,"CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C(=O)OC(C)(C)C)C)O","TZPMELZXMICXNO-VOTSOKGWSA-N",44418545,NA,"PDBC36822","756234","Present",NA,NA
+"36823","GW440139A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW440139A",NA,"CC1=C(C=C(C=C1)O)NC2=C3C=CC(=CC3=NC=C2)C4=CC=CC=N4","BKDBTNDUTIFYHL-UHFFFAOYSA-N",25023828,NA,"PDBC36823","756235","Present",NA,NA
+"36824","GW441806A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW441806A",NA,"CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C3=NNN=N3)C)O","ILTYMFZEBAKYFU-ONEGZZNKSA-N",16049771,NA,"PDBC36824","756237","Present",NA,NA
+"36825","GW442130X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW442130X",NA,"COC1=CC=CC=C1C2=C(C(=CC(=C2)C=C3C4=C(NC3=O)N=CC(=C4)Br)Br)O","RIJBDOXTEPVDPJ-APSNUPSMSA-N",9827373,NA,"PDBC36825","756238","Present",NA,NA
+"36826","GW445012X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW445012X",NA,"CC1=C(C(=CC=C1)C)C=CC2=CC(=CN=C2)C(=O)NC","VCTNTQPZRCNWJA-BQYQJAHWSA-N",44418539,NA,"PDBC36826","756239","Present",NA,NA
+"36827","GW445014X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW445014X",NA,"CNC(=O)C1=CN=CC(=C1)C=CC2=C(C=CC=C2Cl)Cl","DMGXXSZZNPKCTM-AATRIKPKSA-N",44418547,NA,"PDBC36827","756240","Present",NA,NA
+"36828","GW445015X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW445015X",NA,"CC1=CC=CC=C1C=CC2=CC(=CN=C2)C(=O)NC","IDHOIXYTISLBFT-BQYQJAHWSA-N",44418555,NA,"PDBC36828","756241","Present",NA,NA
+"36829","GW445017X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW445017X",NA,"CNC(=O)C1=CN=CC(=C1)C=CC2=CC=CC=C2Cl","HVTWLTGGYKBXHX-VOTSOKGWSA-N",44418556,NA,"PDBC36829","756242","Present",NA,NA
+"36830","GW450241X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW450241X",NA,"CCC1=C(C(=CC=C1)CC)C=CC2=CC(=CN=C2)C(=O)NC","NLOKJGFIQFVGNZ-MDZDMXLPSA-N",44418546,NA,"PDBC36830","756243","Present",NA,NA
+"36831","GW458344A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW458344A",NA,"CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C3=NNN=N3)C)C4=CC=CO4","XFBUODNVNPFENG-AATRIKPKSA-N",44418476,NA,"PDBC36831","756244","Present",NA,NA
+"36832","GW458787A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW458787A",NA,"CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5","PMNXVLOADVXDDY-UHFFFAOYSA-N",9828336,NA,"PDBC36832","756245","Present",NA,NA
+"36833","GW459057A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW459057A",NA,"CC1=CC(=CC(=C1C=CC2=CC(=CN=C2)C3=NNN=N3)C)C4=CC=CC=N4","LBJHHPBGZCPQIO-VOTSOKGWSA-N",44418481,NA,"PDBC36833","756246","Present",NA,NA
+"36834","GW513184X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW513184X",NA,"COC1=C(C=CC(=C1)C=NNC2=C3C=NN(C3=NC=N2)C4=CC=CC=C4)O","AKHRMFAGIBQWDR-LSHDLFTRSA-N",135558907,NA,"PDBC36834","756248","Present",NA,NA
+"36835","GW549034X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW549034X",NA,"CCN1C2=CC=CC=C2N=C1C3=NON=C3N","HCRQPXYLXXLKPT-UHFFFAOYSA-N",599038,NA,"PDBC36835","756249","Present",NA,NA
+"36836","GW559768X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW559768X",NA,"CC1=C(C=C(C=C1)O)NC2=C3C=C(C=CC3=NC=C2)S(=O)(=O)C","BVHZLDLRNBQWRF-UHFFFAOYSA-N",9927432,NA,"PDBC36836","756251","Present",NA,NA
+"36837","GW561436X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW561436X",NA,"C1CC1NC2=NC=CC(=N2)C3=C4C=CC(=CN4N=C3C5=CC=C(C=C5)F)C#N","CCPYQRYMNOYXGL-UHFFFAOYSA-N",10133732,NA,"PDBC36837","756252","Present",NA,NA
+"36838","GW566221A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW566221A",NA,"CS(=O)(=O)CCNCC1=COC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5","UJYWZVPEMTYMBL-UHFFFAOYSA-N",9828335,NA,"PDBC36838","756253","Present",NA,NA
+"36839","GW567808A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW567808A",NA,"CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC(=CC=C5)C(F)(F)F","AERGSELXAOHCKG-UHFFFAOYSA-N",9808725,NA,"PDBC36839","756254","Present",NA,NA
+"36840","GW568326X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW568326X",NA,"C1=CC(=CC=C1C2=NN3C=C(C=CC3=C2C4=NC(=NC=C4)N)C(F)(F)F)F","JQUJTXXKVLSAEV-UHFFFAOYSA-N",9947709,NA,"PDBC36840","756255","Present",NA,NA
+"36841","GW568377A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW568377A",NA,"CS(=O)(=O)CCNCC1=C(OC=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC=CC=C5","ZBBOYUJFPDIEDF-UHFFFAOYSA-N",9893150,NA,"PDBC36841","756256","Present",NA,NA
+"36842","GW569293E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW569293E",NA,"C1=CC(=CC=C1C2=NN3C=C(C=CC3=C2C4=NC(=NC=C4)NCCCO)C(F)(F)F)F","JIIWFBWSAHKMIA-UHFFFAOYSA-N",10203018,NA,"PDBC36842","756257","Present",NA,NA
+"36843","GW569530A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW569530A",NA,"CS(=O)(=O)CCNCC1=NC(=CS1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=C(C=C4)OCC5=CC(=CC=C5)C(F)(F)F","OOURSYCFPYHWPU-UHFFFAOYSA-N",5329478,NA,"PDBC36843","756258","Present",NA,NA
+"36844","GW572399X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW572399X",NA,"C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=C(C=C3)S(=O)(=O)N","OKFOIEMZTIOWQH-UHFFFAOYSA-N",5329850,NA,"PDBC36844","756259","Present",NA,NA
+"36845","GW572401X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW572401X",NA,"CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC=CC=C3","IXAUVBHKVRFJHO-UHFFFAOYSA-N",5329855,NA,"PDBC36845","756260","Present",NA,NA
+"36846","GW572738X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW572738X",NA,"C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3F)C#N","YVYPYORTKAIUGJ-UHFFFAOYSA-N",766948,NA,"PDBC36846","756261","Present",NA,NA
+"36847","GW574782A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW574782A",NA,"CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)C(F)(F)F","HBNMFZZQCIPDOK-UHFFFAOYSA-N",9830092,NA,"PDBC36847","756262","Present",NA,NA
+"36848","GW574783B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW574783B",NA,"CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Cl","HTIFVTQSFKUCDX-UHFFFAOYSA-N",9872621,NA,"PDBC36848","756263","Present",NA,NA
+"36849","GW575533A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW575533A",NA,"COC1=C(C=C(C=C1)NC2=NC=C(O2)C3=CC=CC=C3)OC","BTALXHSRAPGDGP-UHFFFAOYSA-N",5329852,NA,"PDBC36849","756264","Present",NA,NA
+"36850","GW575808A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW575808A",NA,"CC1=C(C=C(C=C1)NC2=NC(=NC=C2)NC3=CC=CC(=C3)C(=O)N)O","PKAORYXTBFAULF-UHFFFAOYSA-N",25138015,NA,"PDBC36850","756265","Present",NA,NA
+"36851","GW576484X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW576484X",NA,"CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)C(F)(F)F","NAHPEMQMXDXGBZ-UHFFFAOYSA-N",21951965,NA,"PDBC36851","756266","Present",NA,NA
+"36852","GW576609A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW576609A",NA,"C1CS(=O)CCN1CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl","BHZWACACNOOTKB-UHFFFAOYSA-N",9829680,NA,"PDBC36852","756267","Present",NA,NA
+"36853","GW576924A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW576924A",NA,"C1CS(=O)CCN1CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC=CC=C6)F","QLLLIGGXRUNRDR-UHFFFAOYSA-N",44416243,NA,"PDBC36853","756268","Present",NA,NA
+"36854","GW577921A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW577921A",NA,"COC1=CC=CC=C1NC2=NC=C(O2)C3=CC=CC=C3","DLHCYJIQXKETIN-UHFFFAOYSA-N",5329844,NA,"PDBC36854","756269","Present",NA,NA
+"36855","GW578748X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW578748X",NA,"COC1=C(C=CC(=C1)C=NNC2=NC=NC3=C2C=NN3)O","HRLCKXAUZJCJAZ-FZSIALSZSA-N",135778713,NA,"PDBC36855","756270","Present",NA,NA
+"36856","GW580496A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW580496A",NA,"CS(=O)(=O)CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=C5)Br","RRURVOSFXQLYQR-UHFFFAOYSA-N",21952043,NA,"PDBC36856","756271","Present",NA,NA
+"36857","GW580509X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW580509X",NA,"CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC(=CC=C3)OC","GOGIUMBXFRNDRK-UHFFFAOYSA-N",5329860,NA,"PDBC36857","756272","Present",NA,NA
+"36858","GW581744X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW581744X",NA,"C1=CC(=CC=C1C2=NN3C=C(C=CC3=C2C4=NC(=NC=C4)NCCCO)C(=O)N)F","HVYANQUWASOZQI-UHFFFAOYSA-N",10272700,NA,"PDBC36858","756273","Present",NA,NA
+"36859","GW583373A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW583373A",NA,"C1CS(=O)CCN1CC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC=CC=C6)Cl","BDCAOKLPNVNFEL-UHFFFAOYSA-N",9937660,NA,"PDBC36859","756274","Present",NA,NA
+"36860","GW589961A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW589961A",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC(=CC=C4)Cl","XOMNBLZPGBTSHU-UHFFFAOYSA-N",10204357,NA,"PDBC36860","756275","Present",NA,NA
+"36861","GW607117X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW607117X",NA,"CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C#N","PMMLSQFPBFKLHH-UHFFFAOYSA-N",10200651,NA,"PDBC36861","756277","Present",NA,NA
+"36862","GW612286X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW612286X",NA,"CC1=C2C=CC(=CC2=NN1)NC3=NC(=NC=C3)NC4=CC(=C(C(=C4)OC)OC)OC","SQQAPOSROFWHIB-UHFFFAOYSA-N",9822610,NA,"PDBC36862","756278","Present",NA,NA
+"36863","GW615311X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW615311X",NA,"C1=CC=C(C=C1)S(=O)(=O)CCOCC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl","JLBVWHHVKVXOOR-UHFFFAOYSA-N",9917474,NA,"PDBC36863","756279","Present",NA,NA
+"36864","GW616030X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW616030X",NA,"CS(=O)(=O)CCN(CC#N)CC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","JGUKCUUOQNQOBB-UHFFFAOYSA-N",9873849,NA,"PDBC36864","756280","Present",NA,NA
+"36865","GW618013A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW618013A",NA,"CN(C)CCCNC1=NC=CC(=N1)C2=C3C=CC(=CN3N=C2C4=CC=C(C=C4)F)C(F)(F)F","GRODATLUPILNTH-UHFFFAOYSA-N",10115337,NA,"PDBC36865","756281","Present",NA,NA
+"36866","GW621431X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW621431X",NA,"CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC(=CC=C3)C(=O)C","QCQOWGLVUUYDQD-UHFFFAOYSA-N",5329868,NA,"PDBC36866","756283","Present",NA,NA
+"36867","GW621823A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW621823A",NA,"CCCN(CCS(=O)(=O)C)CC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","LOWIJALPIWAMBK-UHFFFAOYSA-N",9960734,NA,"PDBC36867","756284","Present",NA,NA
+"36868","GW621970X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW621970X",NA,"CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC(=CC=C3)F","VKLQCYYJIRWXHJ-UHFFFAOYSA-N",5329861,NA,"PDBC36868","756285","Present",NA,NA
+"36869","GW627512B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW627512B",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC=C(O2)C3=CC=CC=C3","CKYLEUNHWFIYOR-UHFFFAOYSA-N",5329854,NA,"PDBC36869","756287","Present",NA,NA
+"36870","GW627834A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW627834A",NA,"C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=CC(=C3)C#N","VZMXZHOJAGFSNF-UHFFFAOYSA-N",5329845,NA,"PDBC36870","756289","Present",NA,NA
+"36871","GW631581B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW631581B",NA,"COC1=CC(=CC(=C1)NC2=NC=C(O2)C3=CC=CC=C3)OC","RKNRDRPDYXCRPG-UHFFFAOYSA-N",5329853,NA,"PDBC36871","756290","Present",NA,NA
+"36872","GW632046X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW632046X",NA,"CC1=CC(=CC=C1)NC2=NC=C(O2)C3=CC=CC=C3","XLGKHWGSIZWZNN-UHFFFAOYSA-N",5329849,NA,"PDBC36872","756291","Present",NA,NA
+"36873","GW633459A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW633459A",NA,"C1=CC=C(C=C1)S(=O)(=O)CCNCC2=CC=C(O2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl","MTHDVQYDQJZAFB-UHFFFAOYSA-N",9809611,NA,"PDBC36873","756293","Present",NA,NA
+"36874","GW641155A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW641155A",NA,"C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=C(C=C3)OC4=CC=CC=C4","MKASXHWBPFPYNF-UHFFFAOYSA-N",5329851,NA,"PDBC36874","756294","Present",NA,NA
+"36875","GW643971X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW643971X",NA,"COC1=C(C=CC(=C1)C=NNC2=C3C=NN(C3=NC=N2)CC4=CC=CC=C4)O","ASFADYMEYHSSND-AUEPDCJTSA-N",135778715,NA,"PDBC36875","756297","Present",NA,NA
+"36876","GW644007X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW644007X",NA,"CC(C)N1C2=NC=NC(=C2C=N1)NN=CC3=CC(=C(C=C3)O)OC","ZHJIZOYQFUOCHV-FBCYGCLPSA-N",135778714,NA,"PDBC36876","756298","Present",NA,NA
+"36877","GW651576X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW651576X",NA,"C1=CC=C(C=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","QTJJFCPBQRQZAR-UHFFFAOYSA-N",11502866,NA,"PDBC36877","756299","Present",NA,NA
+"36878","GW654652C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW654652C",NA,"CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=CC(=N2)N(C)C3=CC4=NNC(=C4C=C3)C","VTXJRGSOKKDRGH-UHFFFAOYSA-N",9955516,NA,"PDBC36878","756300","Present",NA,NA
+"36879","GW659893X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW659893X",NA,"C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC=C3C#CC4=CC=C(C=C4)N)Cl","PTARQPWAPBTGAG-UHFFFAOYSA-N",11669455,NA,"PDBC36879","756302","Present",NA,NA
+"36880","GW678313X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW678313X",NA,"CCS(=O)(=O)C1=CC(=C(C=C1)OC)NC2=NC=C(O2)C3=CC=CC(=C3)C4=CC=CC=C4F","DOKIBWCVABZHOH-UHFFFAOYSA-N",5329875,NA,"PDBC36880","756304","Present",NA,NA
+"36881","GW679410X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW679410X",NA,"COC1=CC=C(C=C1)C2=NC=CC(=C2)C3=C(NN=C3)C4=CC=CC=N4","UNNVAVXBYOPNHR-UHFFFAOYSA-N",9901964,NA,"PDBC36881","756305","Present",NA,NA
+"36882","GW680975X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW680975X",NA,"C1=CC=NC(=C1)C2=C(C=NN2)C3=CC(=NC=C3)C4=CC=C(C=C4)F","HZJPBOLTWHOKEL-UHFFFAOYSA-N",9858084,NA,"PDBC36882","756308","Present",NA,NA
+"36883","GW682841X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW682841X",NA,"CC(C)C1=CC=C(C=C1)C2=NC=CC(=C2)C3=C(NN=C3)C4=CC=CC=N4","VMRIQAPFNJVYQI-UHFFFAOYSA-N",11717091,NA,"PDBC36883","756309","Present",NA,NA
+"36884","GW683003X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW683003X",NA,"C1=CC2=C(C=NN2N=C1)C3=NC(=NC=C3)NCC(F)(F)F","JOSDAWJORYYQIX-UHFFFAOYSA-N",10286242,NA,"PDBC36884","756310","Present",NA,NA
+"36885","GW683109X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW683109X",NA,"C1COCCN1CCCNC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3","ZRWNCIWVANTRGL-UHFFFAOYSA-N",10193482,NA,"PDBC36885","756311","Present",NA,NA
+"36886","GW683768X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW683768X",NA,"CCC1=NN2C(=C1C3=NC(=NC=C3)NC4CC4)C=CC=N2","RPRZAINAFJBVOV-UHFFFAOYSA-N",10171618,NA,"PDBC36886","756313","Present",NA,NA
+"36887","GW684626B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW684626B",NA,"C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=C4C=C(SC4=NC=N3)C5=CC=CS5)Cl","PBIJKZCHYCDPPC-UHFFFAOYSA-N",44571453,NA,"PDBC36887","756314","Present",NA,NA
+"36888","GW693481X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW693481X",NA,"C1=CC=NC(=C1)C2=C(SC(=N2)N)C3=NC4=C(C=C3)N=CC=C4","NQQBKOGAKSBCSI-UHFFFAOYSA-N",9922527,NA,"PDBC36888","756315","Present",NA,NA
+"36889","GW693881A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW693881A",NA,"C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC4=C3SC(=C4)C5=CC=CN5)Cl","WVBOSBMDZYIKPK-UHFFFAOYSA-N",44571452,NA,"PDBC36889","756316","Present",NA,NA
+"36890","GW695874X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW695874X",NA,"C1COCCN1CCOC2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5","UJVHDGDGHUBCNG-UHFFFAOYSA-N",11604319,NA,"PDBC36890","756320","Present",NA,NA
+"36891","GW700494A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW700494A",NA,"CN1CCN(CC1)CCCNC2=NC3=C(N2)C=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F","FJXOXTNXKDDKBD-UHFFFAOYSA-N",53239962,NA,"PDBC36891","756321","Present",NA,NA
+"36892","GW701032X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW701032X",NA,"CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)OC","BFVNHKDXWONWHN-UHFFFAOYSA-N",10158653,NA,"PDBC36892","756322","Present",NA,NA
+"36893","GW701427A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW701427A",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(=O)O","GUDLICATRRESCW-UHFFFAOYSA-N",10276395,NA,"PDBC36893","756323","Present",NA,NA
+"36894","GW703087X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW703087X",NA,"CC(=O)NC1=CC=CC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","KHQLMFFPQINCMZ-UHFFFAOYSA-N",11656050,NA,"PDBC36894","756324","Present",NA,NA
+"36895","GW708336X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW708336X",NA,"C1CC1NC2=NC=CC(=N2)C3=C4C=CC(=NN4N=C3)N5CCOCC5","RLKIXFRFDGFKOP-UHFFFAOYSA-N",10193464,NA,"PDBC36895","756325","Present",NA,NA
+"36896","GW708893X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW708893X",NA,"CC1=C(C=C(C=C1)C2=NN=C(O2)C)C3=CC=C(C=C3)C(=O)NCC4=CC=C(C=C4)Cl","PGONBMCLDBGMIY-UHFFFAOYSA-N",10295475,NA,"PDBC36896","756326","Present",NA,NA
+"36897","GW711782X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW711782X",NA,"C1=CC=NC(=C1)C2=C(C=NN2)C3=CC(=NC=C3)C4=CC=C(C=C4)OCCN5C=CN=C5","HYDHOIPUKQMAHM-UHFFFAOYSA-N",10294883,NA,"PDBC36897","756328","Present",NA,NA
+"36898","GW743024X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW743024X",NA,"CC1=C(C=C(C=C1)NC(=O)C2=COC=C2)C3=CC=C(C=C3)C(=O)NCC4CC4","HNOVOESCCUJDRT-UHFFFAOYSA-N",44593640,NA,"PDBC36898","756330","Present",NA,NA
+"36899","GW759710A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW759710A",NA,"C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=CC(=CC=C3)F)C(=O)N","QEAKQZWSKOMZSQ-UHFFFAOYSA-N",25138030,NA,"PDBC36899","756331","Present",NA,NA
+"36900","GW768505A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW768505A",NA,"COC1=CC=C(C=C1)C2=C(C3=C(N=CN=C3O2)N)C4=CC=C(C=C4)NC(=O)NC5=C(C=CC(=C5)C(F)(F)F)F","FGZIONRFHVNRJB-UHFFFAOYSA-N",5326956,NA,"PDBC36900","756332","Present",NA,NA
+"36901","GW769076X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW769076X",NA,"CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCCC3)C4=CC=C(C=C4)C(=O)NCC5CC5","CZXAZXLPPWLLGJ-UHFFFAOYSA-N",44578672,NA,"PDBC36901","756333","Present",NA,NA
+"36902","GW770220A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW770220A",NA,"CC1=NN(C2=C1C=CC(=C2)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N)C","ZVATUDPCDDOZRM-UHFFFAOYSA-N",24949546,NA,"PDBC36902","756334","Present",NA,NA
+"36903","GW771127A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW771127A",NA,"CC1=C2C=CC(=CC2=NN1C)N(C)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N","RLIRKBLVQDRMIA-UHFFFAOYSA-N",10180652,NA,"PDBC36903","756337","Present",NA,NA
+"36904","GW772405X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW772405X",NA,"CNC(=O)C1=CC=CC(=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","KOOYTOMPIPMGEP-UHFFFAOYSA-N",44410704,NA,"PDBC36904","756338","Present",NA,NA
+"36905","GW775608X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW775608X",NA,"CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)N3CCOCC3)C4=CC=C(C=C4)C(=O)NCC5CC5","BOQNSWFZUHQNRG-UHFFFAOYSA-N",24856364,NA,"PDBC36905","756339","Present",NA,NA
+"36906","GW778894X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW778894X",NA,"C1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3)C#N","CWRTWFWDDAJOMG-UHFFFAOYSA-N",10308522,NA,"PDBC36906","756340","Present",NA,NA
+"36907","GW779439X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW779439X",NA,"CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4)C(F)(F)F","ZOTNSCLLJKXGSD-UHFFFAOYSA-N",10173796,NA,"PDBC36907","756341","Present",NA,NA
+"36908","GW780056X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW780056X",NA,"CCN(CC)CC1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3","DQKZVZRKPRQVEU-UHFFFAOYSA-N",10215776,NA,"PDBC36908","756342","Present",NA,NA
+"36909","GW780159X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW780159X",NA,"C1=CC(=CC(=C1)Cl)C2=C(SC(=N2)N)C3=NC4=C(C=C3)N=CC=C4","JVXFJMXCRSAZFH-UHFFFAOYSA-N",11473228,NA,"PDBC36909","756343","Present",NA,NA
+"36910","GW781673X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW781673X",NA,"C1=CC2=C(C=NN2N=C1)C3=NC(=NC=C3)NCC4=CC=C(C=C4)Cl","NEWXQDRWGLAOAY-UHFFFAOYSA-N",10125875,NA,"PDBC36910","756344","Present",NA,NA
+"36911","GW782612X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW782612X",NA,"C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=CC=CC4=C3C=NN4)C(=O)N","NQHLFCVNEBJHOT-UHFFFAOYSA-N",24896610,NA,"PDBC36911","756345","Present",NA,NA
+"36912","GW782907X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW782907X",NA,"CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)C3=CC=C(C=C3)C(=O)NCC4CC4","OALMGWWMKRZIDJ-UHFFFAOYSA-N",44578253,NA,"PDBC36912","756346","Present",NA,NA
+"36913","GW784307A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW784307A",NA,"CN(C)CCNC(=O)C1=CC=C(C=C1)C=NNC2=C3C=NN(C3=NC=N2)C4=CC(=CC=C4)OC","PGJTVDLNKJZVEU-CCVNUDIWSA-N",9604962,NA,"PDBC36913","756348","Present",NA,NA
+"36914","GW784684X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW784684X",NA,"CN1CCN(CC1)CC2=CC=C(O2)C3=CC4=C(S3)C(=NC=N4)NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl","MFBTVPWNHQVGPL-UHFFFAOYSA-N",44571449,NA,"PDBC36914","756349","Present",NA,NA
+"36915","GW785404X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW785404X",NA,"CCN1C2=C(C=CC(=C2)F)N=C1C3=NON=C3N","CFCWMGRWMVZFQN-UHFFFAOYSA-N",10236195,NA,"PDBC36915","756351","Present",NA,NA
+"36916","GW785804X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW785804X",NA,"C1=CC2=C(C=CC(=N2)C3=C(N=C(S3)N)C4=CC=C(C=C4)F)N=C1","WDANXJFHYRXNLL-UHFFFAOYSA-N",11290221,NA,"PDBC36916","756352","Present",NA,NA
+"36917","GW785974X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW785974X",NA,"CC1=C(C=C(C=C1)C(=O)NC(C)C)C2=CC=C(C=C2)C(=O)NCC3CC3","HWUIKJWOZNTZQM-UHFFFAOYSA-N",44578254,NA,"PDBC36917","756353","Present",NA,NA
+"36918","GW794607X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW794607X",NA,"CCCNC1=CC(=CC=C1)N2C3=NC=NC(=C3C=N2)NN=CC4=CC=NC=C4","UUZWUKJJOLIQMT-BRJLIKDPSA-N",9604926,NA,"PDBC36918","756355","Present",NA,NA
+"36919","GW794726X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW794726X",NA,"CC(=O)NC1=CC=CC(=N1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","CNRXAYAWNNSNLT-UHFFFAOYSA-N",11627264,NA,"PDBC36919","756356","Present",NA,NA
+"36920","GW795486X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW795486X",NA,"C1=CC(=CC=C1C2=COC3=NC=NC(=C23)N)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","VLTNUYNTYZRWQD-UHFFFAOYSA-N",23646936,NA,"PDBC36920","756357","Present",NA,NA
+"36921","GW795493X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW795493X",NA,"C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C3=COC4=NC=NC(=C34)N)C(F)(F)F","LSVIBAPJYUUVJJ-UHFFFAOYSA-N",23646938,NA,"PDBC36921","756358","Present",NA,NA
+"36922","GW796920X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW796920X",NA,"CC1=C(C=C(C=C1)NC(=O)CC2CC2)C3=CC=C(C=C3)C(=O)NCC4CC4","XWMDWGDDWKLDEH-UHFFFAOYSA-N",44578425,NA,"PDBC36922","756359","Present",NA,NA
+"36923","GW796921X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW796921X",NA,"CCC(=O)NC1=CC(=C(C=C1)C)C2=CC=C(C=C2)C(=O)NCC3CC3","LOMWKXCERLJDPO-UHFFFAOYSA-N",44578401,NA,"PDBC36923","756360","Present",NA,NA
+"36924","GW799251X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW799251X",NA,"C1=CC(=CC(=C1)F)COC2=C(C=C(C=C2)NC3=NC=NC=C3C#CC4=NC(=NC=C4)N)Cl","WRXRFFUVXFNKGG-UHFFFAOYSA-N",11640889,NA,"PDBC36924","756361","Present",NA,NA
+"36925","GW801372X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW801372X",NA,"COC1=CC(=CC(=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3)OC","XSJMSGALWUODPK-UHFFFAOYSA-N",11163861,NA,"PDBC36925","756362","Present",NA,NA
+"36926","GW804482X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW804482X",NA,"COC1=CC=CC(=C1)COC2=C(SC(=C2)N3C=NC4=CC=CC=C43)C(=O)N","DSRCAFSFCNIHTE-UHFFFAOYSA-N",25263078,NA,"PDBC36926","756363","Present",NA,NA
+"36927","GW806290X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW806290X",NA,"C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4","WIIIHAKKVLVGJX-UHFFFAOYSA-N",6539369,NA,"PDBC36927","756365","Present",NA,NA
+"36928","GW806742X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW806742X",NA,"CN(C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=NC(=NC=C3)NC4=CC(=CC=C4)S(=O)(=O)N","SNRUTMWCDZHKKM-UHFFFAOYSA-N",5329829,NA,"PDBC36928","756366","Present",NA,NA
+"36929","GW806776X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW806776X",NA,"C1CC1CNC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)C(=O)NC4CC4","GTPHSWNKNONVOX-UHFFFAOYSA-N",44578563,NA,"PDBC36929","756367","Present",NA,NA
+"36930","GW807930X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW807930X",NA,"CC(=O)NCC1=CC(=CC=C1)C#CC2=CN=CN=C2NC3=CC(=C(C=C3)OCC4=CC(=CC=C4)F)Cl","IWKYADYEFPLAEG-UHFFFAOYSA-N",11605761,NA,"PDBC36930","756368","Present",NA,NA
+"36931","GW809885X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW809885X",NA,"CC1=NN(C2=NC=NC(=C12)NN=C(C)C3=CC=NC=C3)C4=CC(=CC=C4)OC","MMXTYLZRZDGJDX-ZMOGYAJESA-N",9604970,NA,"PDBC36931","756370","Present",NA,NA
+"36932","GW809897X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW809897X",NA,"CN(C1=CC=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl)C3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)C","NXPQZPWXVHIWGN-UHFFFAOYSA-N",5329831,NA,"PDBC36932","756371","Present",NA,NA
+"36933","GW813360X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW813360X",NA,"COC1=CC=CC(=C1)N2C=NC3=C(N=CN=C32)NN=CC4=CC=NC=C4","VARGUUBRJVQGHK-AUEPDCJTSA-N",9604915,NA,"PDBC36933","756376","Present",NA,NA
+"36934","GW814408X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW814408X",NA,"COC1=CC=CC(=C1)C2=CNC3=C2N=CN=C3NN=CC4=CC=NC=C4","YMOZGQKWFWKZJV-YSURURNPSA-N",9604912,NA,"PDBC36934","756377","Present",NA,NA
+"36935","GW817394X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW817394X",NA,"COC1=CC=CC(=C1)N2C3=NC=NC(=C3C=N2)NN=CC4=CC(=CC=C4)F","FYLWAIJQFCKHDH-AUEPDCJTSA-N",9604922,NA,"PDBC36935","756378","Present",NA,NA
+"36936","GW817396X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW817396X",NA,"COC1=CC=CC(=C1)N2C3=NC=NC(=C3C=N2)NN=CC4=CC=C(C=C4)F","RAOQCDVBADRLDK-AUEPDCJTSA-N",9604943,NA,"PDBC36936","756379","Present",NA,NA
+"36937","GW819230X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW819230X",NA,"CC1=CC=C(C=C1)C2=CC3=C(N=CN=C3O2)NC(=O)C4CC4","NITFTDTXTHHURN-UHFFFAOYSA-N",6539751,NA,"PDBC36937","756381","Present",NA,NA
+"36938","GW827099X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW827099X",NA,"C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4C6=CC=C(C=C6)F","VCIUEFSUNSUNPA-UHFFFAOYSA-N",6539409,NA,"PDBC36938","756384","Present",NA,NA
+"36939","GW827102X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW827102X",NA,"C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4C6=CC(=CC=C6)C(F)(F)F","OIPORLPSIAFDJE-UHFFFAOYSA-N",6539422,NA,"PDBC36939","756385","Present",NA,NA
+"36940","GW827105X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW827105X",NA,"COC1=CC=C(C=C1)C2=NN3C(=C2C4=NC(=NC=C4)NC5=CC=CC(=C5)C(F)(F)F)C=CC=N3","BWBYKJFTJZIURF-UHFFFAOYSA-N",6539411,NA,"PDBC36940","756386","Present",NA,NA
+"36941","GW827106X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW827106X",NA,"COC1=CC=C(C=C1)C2=NN3C(=C2C4=NC(=NC=C4)NC5=CC6=C(C=C5)OCCO6)C=CC=N3","PHMQSKGFSDGFMK-UHFFFAOYSA-N",6539414,NA,"PDBC36941","756387","Present",NA,NA
+"36942","GW827396X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW827396X",NA,"COC1=CC=C(C=C1)C2=NN3C(=C2C4=NC(=NC=C4)NC5=CC(=C(C=C5)F)F)C=CC=N3","LKJHBVBZNPEUNP-UHFFFAOYSA-N",6539412,NA,"PDBC36942","756388","Present",NA,NA
+"36943","GW828525X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW828525X",NA,"C1COC2=C(O1)C=CC(=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4C6=CC=C(C=C6)C(F)(F)F","MQWZYEDJGHLFFI-UHFFFAOYSA-N",6539418,NA,"PDBC36943","756389","Present",NA,NA
+"36944","GW828529X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW828529X",NA,"C1=CC2=C(C(=NN2N=C1)C3=CC=C(C=C3)C(F)(F)F)C4=NC(=NC=C4)NC5=CC(=C(C=C5)F)F","KLEPBNXGYXGZGI-UHFFFAOYSA-N",6539417,NA,"PDBC36944","756390","Present",NA,NA
+"36945","GW829055X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW829055X",NA,"C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3C5=CC=C(C=C5)Cl","KFMDNTIUGNJKPB-UHFFFAOYSA-N",6539424,NA,"PDBC36945","756391","Present",NA,NA
+"36946","GW829115X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW829115X",NA,"COC1=CC=C(C=C1)C2=NN3C(=C2C4=NC(=NC=C4)NC5=CC(=C(C=C5)Cl)C(F)(F)F)C=CC=N3","WFOPNLUSQIIBIX-UHFFFAOYSA-N",6539413,NA,"PDBC36946","756392","Present",NA,NA
+"36947","GW829874X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW829874X",NA,"COC1=CC=CC(=C1)C=NNC2=C3C=NN(C3=NC=N2)C4=CC(=CC=C4)OC","AWYYOUZTURFIFO-FOKLQQMPSA-N",9604940,NA,"PDBC36947","756393","Present",NA,NA
+"36948","GW829877X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW829877X",NA,"CC1=CC=C(C=C1)C=NNC2=C3C=NN(C3=NC=N2)C4=CC(=CC=C4)OC","QRNLICFNSFQHBO-FOKLQQMPSA-N",9604958,NA,"PDBC36948","756394","Present",NA,NA
+"36949","GW829906X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW829906X",NA,"CC1=NN2C(=C(C(=N2)C3=CC=CC=C3)C4=NC(=NC=C4)NC5=CC=CC(=C5)C(F)(F)F)C=C1","YYNPIMSTDPEJPS-UHFFFAOYSA-N",6539430,NA,"PDBC36949","756395","Present",NA,NA
+"36950","GW830263A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW830263A",NA,"CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)N(C)C4=NC(=NC=C4)NC5=CC=C(C=C5)CS(=O)(=O)C","AHDFVTJYNGXCEO-UHFFFAOYSA-N",5329842,NA,"PDBC36950","756396","Present",NA,NA
+"36951","GW831090X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW831090X",NA,"C1=CC(=CC(=C1)O)C2=CC(=NN2)NC3=CC=C(C=C3)S(=O)(=O)N","PVLOKYREDKFWTF-UHFFFAOYSA-N",6539620,NA,"PDBC36951","756399","Present",NA,NA
+"36952","GW833373X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW833373X",NA,"CC1=NN2C(=C(C(=N2)C3=CC=C(C=C3)F)C4=NC(=NC=C4)NC5=CC=CC=C5)C=C1","QKEWQKWUSAUMEH-UHFFFAOYSA-N",6539440,NA,"PDBC36952","756402","Present",NA,NA
+"36953","GW837331X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW837331X",NA,"CC1=C2C=NC(=NN2C(=N1)C3=CC(=CC=C3)C(F)(F)F)NC4=CC(=C(C(=C4)OC)OC)OC","FGUYNCHKIOFPMS-UHFFFAOYSA-N",11328632,NA,"PDBC36953","756403","Present",NA,NA
+"36954","GW846105X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW846105X",NA,"C1CC2=C(N(C1)C(=O)C3CC3)SC(=C2C#N)NC(=O)C4=CC=CC5=CC=CC=C54","KTBZRPANEUUZDW-UHFFFAOYSA-N",16664858,NA,"PDBC36954","756405","Present",NA,NA
+"36955","GW852849X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW852849X",NA,"COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C(=O)N)OCC4=CC=CC=C4Cl)OC","WRWFZZDBIJLBIJ-UHFFFAOYSA-N",25263092,NA,"PDBC36955","756406","Present",NA,NA
+"36956","GW853606X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW853606X",NA,"C1=CC=C(C(=C1)COC2=C(SC(=C2)N3C=NC4=C3C=C(C=C4)C(F)(F)F)C(=O)N)Br","LOKKVFGDJAVMLU-UHFFFAOYSA-N",25263088,NA,"PDBC36956","756407","Present",NA,NA
+"36957","GW853609X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW853609X",NA,"C1=CC=C(C(=C1)COC2=C(SC(=C2)N3C=NC4=C3C=CC(=C4)C(F)(F)F)C(=O)N)Br","BXJGJFDHPWFFFF-UHFFFAOYSA-N",25263087,NA,"PDBC36957","756408","Present",NA,NA
+"36958","GW856804X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW856804X",NA,"C1=CC(=CC(=C1)S(=O)(=O)N)C2=CN=C(C3=C2SC=C3C4=CC(=C(C=C4)F)Cl)N","PILHXMMEJPSZLL-UHFFFAOYSA-N",11281930,NA,"PDBC36958","756409","Present",NA,NA
+"36959","GW861893X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW861893X",NA,"CC1=C2C=NC(=NN2C(=N1)C3=CC(=CC=C3)OC4=CC=CC=C4)NC5=CC(=C(C(=C5)OC)OC)OC","UYDANWBUSABCEA-UHFFFAOYSA-N",11155941,NA,"PDBC36959","756410","Present",NA,NA
+"36960","GW869810X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW869810X",NA,"C1COCCN1C(=O)OC2CC(NC2)C#CC3=CC4=C(S3)C(=NC=N4)NC5=CC(=C(C=C5)OCC6=CC(=CC=C6)F)Cl","NKOJMDRKLJSOJR-FYYLOGMGSA-N",11284937,NA,"PDBC36960","756411","Present",NA,NA
+"36961","GW874091X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW874091X",NA,"CC1=C2C=NC(=NN2C(=N1)C3=CC=CC=C3)NCCCN4CCOCC4","IFOFHKDVJCOAMH-UHFFFAOYSA-N",44589696,NA,"PDBC36961","756412","Present",NA,NA
+"36962","GW876790X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW876790X",NA,"CCN1C2=C(C=NC=C2C(=O)NCCNC)N=C1C3=NON=C3N","RIIYKHQJSKRYKG-UHFFFAOYSA-N",25023715,NA,"PDBC36962","756413","Present",NA,NA
+"36963","GYJSTKRYMHRILW-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GYJSTKRYMHRILW-UHFFFAOYSA-N",NA,"COS(=O)C1=C(C(=CC(=C1)Cl)Cl)OC(=O)CSSCC(=O)OC2=C(C=C(C=C2Cl)Cl)S(=O)OC","GYJSTKRYMHRILW-UHFFFAOYSA-N",361229,NA,"PDBC36963","624186","Present",NA,NA
+"36964","Gab-geldanamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GAB-GELDANAMYCIN",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)OC(=O)CCCN)OC.Cl","OCAQDDOOJYSCSS-QQPNBYHTSA-N",5467747,NA,"PDBC36964","658514","Present",NA,NA
+"36965","Galactose 1-phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GLUCOSE-L-PHOSPHATE",NA,"C(C1C(C(C(C(O1)OP(=O)(O)O)O)O)O)O","HXXFSFRBOHSIMQ-UHFFFAOYSA-N",466,NA,"PDBC36965","44138","Present",NA,NA
+"36966","Galactosyl rubrofusarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GALACTOSYL RUBROFUSARIN",NA,"CC1=CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)OC)OC4C(C(C(C(O4)CO)O)O)O)O","CDMUGCVTTUOCFT-UHFFFAOYSA-N",332770,NA,"PDBC36966","331933","Present",NA,NA
+"36967","Galantamin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"jilkon",NA,"CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O","ASUTZQLVASHGKV-UHFFFAOYSA-N",3449,NA,"PDBC36967","100058","Present",NA,NA
+"36968","Galegine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"galegine",NA,"CC(=CCN=C(N)N)C.OS(=O)(=O)O","IMNZDWZLEPDBAP-UHFFFAOYSA-N",88460,NA,"PDBC36968","76016","Present",NA,NA
+"36969","Galiellalactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645020",NA,"CC1CC2CCC3C2(C(=C1)C(=O)O3)O","SOIISBQQYAGDKM-VFYMIVFZSA-N",6711856,NA,"PDBC36969","645020","Present",NA,NA
+"36970","Gallamine Blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gallamine blue",NA,"CN(C)C1=CC2=C(C=C1)NC3=C(O2)C(=O)C(=O)C=C3C(=O)[NH3+].[Cl-]","KNNFENIIZCXFDO-UHFFFAOYSA-N",135436514,NA,"PDBC36970","8643","Present",NA,NA
+"36971","Gallicodazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gallicodazole",NA,"COC1=C(C(=C2C(=C1)NC(=N2)NC(=O)OC)OC)OC","XFMZIDADRVOJKW-UHFFFAOYSA-N",343115,NA,"PDBC36971","382103","Present",NA,NA
+"36972","Gallidermin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gallidermin",NA,"CCC(C)C(C(=O)NC(C)C(=O)NC1CSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCCCN)CC2=CC=CC=C2)CC(C)C)C(=O)NC3C(SCC(NC(=O)CNC(=O)C4CCCN4C3=O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(=CC)C(=O)NCC(=O)NC5CSCC6C(=O)NC=CSCC(C(=O)NC(C(=O)N6)CC7=CC=C(C=C7)O)NC(=O)C(NC(=O)C(NC5=O)CC8=CC=CC=C8)CC(=O)N)C)N","AHMZTHYNOXWCBS-NOYMNTDDSA-N",54608115,NA,"PDBC36972","629451","Present",NA,NA
+"36973","Gallium, dimethyl(8-quinolinolato-N1,O8)-, (T-4)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gallium, dimethyl(8-quinolinolato-N1,O8)-, (T-4)-",NA,NA,NA,NA,NA,"PDBC36973","165697","Present",NA,NA
+"36974","Gallium;pentane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(2,4-pentanedionato)gallium(III)",NA,"CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Ga+3]","IMMRYVXLCAMRNK-UHFFFAOYSA-N",365227,NA,"PDBC36974","632569","Present",NA,NA
+"36975","Gallocyanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gallocyanin",NA,"CN(C)C1=CC2=C(C=C1)[NH+]=C3C(=CC(=O)C(=C3O2)O)C(=O)O.[Cl-]","AQSOTOUQTVJNMY-UHFFFAOYSA-N",73801,NA,"PDBC36975","103779","Present",NA,NA
+"36976","Gamabufotalin rhamnoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gamabufotalin rhamnoside",NA,"CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=COC(=O)C=C6)O)C)O)C)O)O)O","MOHPUIQBYKQHCJ-JEAUJHOTSA-N",155813061,NA,"PDBC36976","762848","Present",NA,NA
+"36977","Gamitrinib-G4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gamitrinib-G4",NA,NA,NA,NA,NA,"PDBC36977","749924","Present",NA,NA
+"36978","Garcinisidone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Garcinisidone-A",NA,"CC(=CCC1=C(C2=C(C=C1O)OC3=C(C(=C(C(=C3)O)OC)CC=C(C)C)OC2=O)O)C","JPVHNMSADPDREY-UHFFFAOYSA-N",10741092,NA,"PDBC36978","752808","Present",NA,NA
+"36979","Gardenin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gardenin",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O","MQBFFYQCZCKSBX-UHFFFAOYSA-N",261859,NA,"PDBC36979","94889","Present",NA,NA
+"36980","Gardenin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gardenin b",NA,"COC1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O","LXEVSYZNYDZSOB-UHFFFAOYSA-N",96539,NA,"PDBC36980","79093","Present",NA,NA
+"36981","Gastrografin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diatrizoate Sodium",NA,"CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.[Na+]","ZEYOIOAKZLALAP-UHFFFAOYSA-N",23617235,NA,"PDBC36981","61815","Present",NA,NA
+"36982","Gdc-0077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GDC-0077",NA,"CC(C(=O)N)NC1=CC2=C(C=C1)C3=NC(=CN3CCO2)N4C(COC4=O)C(F)F","SGEUNORSOZVTOL-CABZTGNLSA-N",124173720,NA,"PDBC36982","800729","Present",NA,NA
+"36983","Gdc-0084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GDC-0084",NA,"CC1(C2=NC3=C(N2CCO1)N=C(N=C3N4CCOCC4)C5=CN=C(N=C5)N)C","LGWACEZVCMBSKW-UHFFFAOYSA-N",57384863,NA,"PDBC36983","792987","Present",NA,NA
+"36984","Gdc-0623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778590///GDC-0623",NA,"C1=CC(=C(C=C1I)F)NC2=C(C=CC3=CN=CN32)C(=O)NOCCO","RFWVETIZUQEJEF-UHFFFAOYSA-N",42642654,NA,"PDBC36984","778590///800998","Present",NA,NA
+"36985","Gedunine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gedunin",NA,"CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)OC(C5(CC3)C)C6=COC=C6)C)C)(C)C","YJXDGWUNRYLINJ-UHFFFAOYSA-N",3458,NA,"PDBC36985","113497","Present",NA,NA
+"36986","Geijerin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Geijerin",NA,"CC(C)CC(=O)C1=C(C=C2C(=C1)C=CC(=O)O2)OC","ZXVIZFSHTAUXCC-UHFFFAOYSA-N",235195,NA,"PDBC36986","36293","Present",NA,NA
+"36987","Geiparvarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"geiparvin",NA,"CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C3=CC(=O)C(O3)(C)C","OUTLLBZGJYDUQE-XYOKQWHBSA-N",5910585,NA,"PDBC36987","142227","Present",NA,NA
+"36988","Geldanamycin, 12-(3-aminopropionate)-monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-azabicyclo[16.3.1]docosane, geldanamycin deriv.",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)OC(=O)CCN)OC.Cl","YKCIAJUVFDCWAH-AUANKTHDSA-N",5468001,NA,"PDBC36988","661581","Present",NA,NA
+"36989","GemMP[10]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gemmp[10]",NA,"C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO[P+](=O)OC3C(OC(C3(F)F)N4C=CC(=NC4=O)N)CO[P+](=O)OC5C(OC(C5(F)F)N6C=CC(=NC6=O)N)CO[P+](=O)OC7C(OC(C7(F)F)N8C=CC(=NC8=O)N)CO[P+](=O)OC9C(OC(C9(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO[P+](=O)OC1C(OC(C1(F)F)N1C=CC(=NC1=O)N)CO)O)(F)F","YGWQAZCOAPWRBC-UHFFFAOYSA-W",16129935,NA,"PDBC36989","708070","Present",NA,NA
+"36990","Gemcitabine elaidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gemcitabine elaidate",NA,"CCCCCCCCC=CCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)(F)F)O","HESSNRGIEVBPRB-QDDPNBLJSA-N",9828310,NA,"PDBC36990","765775","Present",NA,NA
+"36991","Geninthiocin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Geninthiocin",NA,"CC=C1C2=NC(=CO2)C(=O)NC(=C)C(=O)NC(C(=O)NC(=C)C3=NC(=C(O3)C)C(=O)NC(=C)C(=O)NC(=C)C4=NC(=CO4)C5=C(C=CC(=N5)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C6=NC(=CS6)C(=O)NC(C(=O)N1)C(C)O)C(C)(C)O","JNUIXQXFKIJDIV-KFVMYCOKSA-N",16129911,NA,"PDBC36991","676674","Present",NA,NA
+"36992","Genistoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"genistoside",NA,"C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)OC4C(C(C(C(O4)CO)O)O)O)O","ZCOLJUOHXJRHDI-UHFFFAOYSA-N",5284639,NA,"PDBC36992","5112","Present",NA,NA
+"36993","Gentian violet",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC3090///NSC757050",NA,"CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-]","ZXJXZNDDNMQXFV-UHFFFAOYSA-M",11057,NA,"PDBC36993","3090///757050","Present",NA,NA
+"36994","Gentianidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gentianidine",NA,"CC1=CC2=C(C=N1)C(=O)OCC2","KFJQLAOTTSPBMT-UHFFFAOYSA-N",362908,NA,"PDBC36994","627383","Present",NA,NA
+"36995","Geodiamolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Geodiamolide A",NA,"CC1CC(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)I)C)C","QMYRWKWZINECMT-GDNBJRDFSA-N",5469060,NA,"PDBC36995","682308","Present",NA,NA
+"36996","Geodiamolide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Geodiamolide B",NA,"CC1CC(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=CC(=C(C=C2)O)Br)C)C","QYMMTIVLYXHSHK-SVSKSJJFSA-N",5469013,NA,"PDBC36996","681481","Present",NA,NA
+"36997","Geodiamolide D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Geodiamolide D",NA,"CC1CC(OC(=O)C(NC(=O)C(N(C(=O)CNC(=O)C(CC(=C1)C)C)C)CC2=CC(=C(C=C2)O)I)C)C","OXZSDRMSCOSPIT-DHDCSXOGSA-N",5469061,NA,"PDBC36997","682309","Present",NA,NA
+"36998","Geodiamolide E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Geodiamolide E",NA,"CC1CC(OC(=O)C(NC(=O)C(N(C(=O)CNC(=O)C(CC(=C1)C)C)C)CC2=CC(=C(C=C2)O)Br)C)C","INYUFROKXKFBJE-DMRKTBTMSA-N",5469059,NA,"PDBC36998","682307","Present",NA,NA
+"36999","Georgia Blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ink Blue PP",NA,"C1=CC(=C(C=C1N=NC2=C(C3=C(C=C2)C(=CC(=C3N)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O.[Na+]","YDXDLXHWUFRUQU-SGSPRHBESA-N",135421916,NA,"PDBC36999","34579","Present",NA,NA
+"37000","Geraniol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Geraniol",NA,"CC(=CCCC(=CCO)C)C","GLZPCOQZEFWAFX-JXMROGBWSA-N",637566,NA,"PDBC37000","9279","Present",NA,NA
+"37001","Germa-2,3-dibutanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Germa-2,3-dibutanol",NA,NA,NA,NA,NA,"PDBC37001","648332","Present",NA,NA
+"37002","Germacatechol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Germacatechol",NA,NA,NA,NA,NA,"PDBC37002","648331","Present",NA,NA
+"37003","Germanium Sodium Malate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Germanium Sodium Malate",NA,NA,NA,NA,NA,"PDBC37003","619326","Present",NA,NA
+"37004","Gersemolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gersemolide",NA,"CC1=CC(=O)C(C2C=C(CCC(CC1=O)C(=C)C)C(=O)O2)C(=C)C","YEBDNBDBHUUVGR-OSGWYAKPSA-N",12000066,NA,"PDBC37004","726175","Present",NA,NA
+"37005","Gichigamin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gichigamin A",NA,"CCC(C)(C(=O)NCCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NCCC(=O)NCO)NC(=O)C(C)NC(=O)CCNC(=O)C(C)(C)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(C)(CC)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(C)(C)NC(=O)C4CCCN4C(=O)C(C)(C)NC(=O)C","HSGHAUATLWSEIF-XKWKRSCCSA-N",155810256,NA,"PDBC37005","783218","Present",NA,NA
+"37006","Gigantrionenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gigantrionenin",NA,"CCCCCCCCCCCCC=CCCC(C(CCC(C1CCC(O1)CCCCCCCC2=CC(OC2=O)C)O)O)O","HASWAOYLTAODRS-VKJZEEHVSA-N",5470005,NA,"PDBC37006","695398","Present",NA,NA
+"37007","Gilvocarcin V",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gilvocarcin V",NA,"CC(C1C(C(C(O1)C2=C3C(=C(C=C2)O)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)O)O","XCWHINLKQMCRON-UHFFFAOYSA-N",334288,NA,"PDBC37007","348115","Present",NA,NA
+"37008","Gimatecan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gimatecan",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NOC(C)(C)C)O","UIVFUQKYVFCEKJ-OPTOVBNMSA-N",9577124,NA,"PDBC37008","793724","Present",NA,NA
+"37009","Ginseng",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prosapogenin",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)OC6C(C(C(C(O6)CO)O)O)O)O)O)C)C)C2C1)CO)C(=O)OC7C(C(C(C(O7)CO)O)O)O)C","YDQIRODFTJGGMP-UHFFFAOYSA-N",420552,NA,"PDBC37009","124670","Present",NA,NA
+"37010","Ginsenoside A1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ginsenoside A1",NA,NA,NA,NA,NA,"PDBC37010","308874","Present",NA,NA
+"37011","Ginsenoside A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIHYDROXYDAMMARENE GLUCOSIDE DERIV",NA,"CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C","YURJSTAIMNSZAE-UHFFFAOYSA-N",432116,NA,"PDBC37011","303791","Present",NA,NA
+"37012","Ginsenoside Rd mixture with ginsenoside Re",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ginsenoside rd",NA,"CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)OC6C(C(C(C(O6)CO)O)O)O)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O.CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)C)C)O)C)OC7C(C(C(C(O7)CO)O)O)O)C","UQTMOOJLGMIUSE-UHFFFAOYSA-N",432447,NA,"PDBC37012","308876","Present",NA,NA
+"37013","Ginsenoside Rg1 mixture with ginsenoside A1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ginsenoside rg1",NA,"CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C6(CCC(O6)C(C)(C)O)C)C)O)C7(C3C(C(CC7)O)(C)C)C)C)CO)O)O)O)O)O.CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)CO)O)O)O)C)O)C)OC6C(C(C(C(O6)CO)O)O)O)C","MVCNDBCNAOAFGD-YAZVVNPJSA-N",328775,NA,"PDBC37013","308875","Present",NA,NA
+"37014","Ginsenoside Rh2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ginsenoside Rh2",NA,"CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)CO)O)O)O)C)C)O)C)O)C","CKUVNOCSBYYHIS-GCAZOTEOSA-N",404133,NA,"PDBC37014","720257","Present",NA,NA
+"37015","Giredestrant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Giredestrant",NA,"CC1CC2=C(C(N1CC(CO)(F)F)C3=C(C=C(C=C3F)NC4CN(C4)CCCF)F)NC5=CC=CC=C25","GQCXHIKRWBIQMD-AKJBCIBTSA-N",121410806,NA,"PDBC37015","827275","Present",NA,NA
+"37016","Girolline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Girolline",NA,"C1=C(NC(=N1)N)C(C(CN)Cl)O","YILCGOCHVFQMTC-UHFFFAOYSA-N",362388,NA,"PDBC37016","626159","Present",NA,NA
+"37017","Gitogenin 3-O-{O-alpha-L-rhamnopyranosyl-(1->2)-O-beta-D-galactopyranoside}",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gitogenin 3-O-{O-.alpha.-L-rhamnopyranosyl-(1->2)-O-.bet...",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)C)O)O)O)O)C)C)C)OC1","KHIZMXXBPIYCQP-DIVIFJLOSA-N",398981,NA,"PDBC37017","709380","Present",NA,NA
+"37018","Gitoxigenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gitoxigenin",NA,"CC12CCC(CC1CCC3C2CCC4(C3(CC(C4C5=CC(=O)OC5)O)O)C)O","PVAMXWLZJKTXFW-VQMOFDJESA-N",348482,NA,"PDBC37018","407807","Present",NA,NA
+"37019","Gitoxoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gitoxim",NA,"CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CC(C7C8=CC(=O)OC8)O)O)C)C)C)C)O)O","LKRDZKPBAOKJBT-UHFFFAOYSA-N",261947,NA,"PDBC37019","95099","Present",NA,NA
+"37020","Glasdegib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-04449913",NA,"CN1CCC(CC1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N","SFNSLLSYNZWZQG-VQIMIIECSA-N",25166913,NA,"PDBC37020","775772","Present",NA,NA
+"37021","Glaucarubinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"glaucarubinone",NA,"CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C)O","WRBGCYVAJRRQKP-STDAJNJZSA-N",441796,NA,"PDBC37021","132791","Present",NA,NA
+"37022","Glaucarubol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glaucarubol",NA,"CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(C5O)O)C)C)O)O","YJIBLZYQKYKXFP-UHFFFAOYSA-N",225484,NA,"PDBC37022","14974","Present",NA,NA
+"37023","Glaucarubolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glaucarubolone",NA,"CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)O","FJHVIRYYVWNHSM-FOSMHHDRSA-N",441797,NA,"PDBC37023","126764","Present",NA,NA
+"37024","Glaziovine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"suavedol",NA,"CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)O)OC","PNJUPRNTSWJWAX-UHFFFAOYSA-N",65631,NA,"PDBC37024","141545","Present",NA,NA
+"37025","Gld-91-III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GELDANAMYCIN, N,N'-DIMETHYL",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)N(C2=CC(=O)C(=C(C1)C2=O)OC)C)C)OC)OC(=O)NC)C)C)O)OC","JBZNHISLXXXJTM-HXUBOIOCSA-N",24199494,NA,"PDBC37025","330512","Present",NA,NA
+"37026","Glechomafuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GLECHOMAFURAN",NA,"CC1=COC2=C1CC3C(O3)(CCC4C(C2)(O4)C)C","FNQFNSGVMLMZNV-UHFFFAOYSA-N",100215,NA,"PDBC37026","380468","Present",NA,NA
+"37027","Glesatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MGCD-265",NA,"COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=C(C=C5)F)F","YRCHYHRCBXNYNU-UHFFFAOYSA-N",25181472,NA,"PDBC37027","791059","Present",NA,NA
+"37028","Glossypol dioxime deriv.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788872",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NO)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=NO)O)O)C(C)C)O)O","UMROJVTVEZTZQH-BQVZVJNFSA-N",135483714,NA,"PDBC37028","788872","Present",NA,NA
+"37029","Gloxazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gloxazon",NA,"CCOC(C)C(=NNC(=S)N)C=NNC(=S)N","ARIFZLJIERKKEL-RYYWOMKVSA-N",9571200,NA,"PDBC37029","82116","Present",NA,NA
+"37030","Gluconic acid, barium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GLUCONIC ACID, BARIUM SALT",NA,"C(C(C(C(C(C(=O)O)O)O)O)O)O.[Ba+2]","MCLZYIDQYSMHKE-UHFFFAOYSA-N",5351603,NA,"PDBC37030","1945","Present",NA,NA
+"37031","Glutamamide,stereoisomer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glutamamide, N-acetyl-1-O-(phenylmethyl)-.alpha.-muramoy...",NA,"CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","ONZWDOVVVUQSFL-UHFFFAOYSA-N",388674,NA,"PDBC37031","683692","Present",NA,NA
+"37032","Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Monobromomethotrexate",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)Br","RVHHUTDEYCUBRL-UHFFFAOYSA-N",418099,NA,"PDBC37032","98580","Present",NA,NA
+"37033","Glycerite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TANNIC ACID",NA,"C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O","LRBQNJMCXXYXIU-NRMVVENXSA-N",16134267,NA,"PDBC37033","758670","Present",NA,NA
+"37034","Glycinamide, N-[(1,1-dimethylethoxy)carbonyl]-4-nitrophenylalanyl-N1-ethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-[[2-(ethylamino)-2-oxoethyl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]carbamate",NA,"CCNC(=O)CNC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C","XUNVBHHUSDAFAN-UHFFFAOYSA-N",382189,NA,"PDBC37034","669648","Present",NA,NA
+"37035","Glycine, N-9-acridinyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-9-Acridinylglycine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCC(=O)O","KWTFIXMUBIMLGT-UHFFFAOYSA-N",148741,NA,"PDBC37035","627735","Present",NA,NA
+"37036","Glycine, dicyclohexylamine salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glycine, N-[N-[[(4-methoxyphenyl)azo]carbonyl]-L-leucyl]...",NA,"CC(C)CC(C(=O)NCC(=O)O)NC(=O)N=NC1=CC=C(C=C1)OC.C1CCC(CC1)NC2CCCCC2","WSHDDMPTBCULEO-UHFFFAOYSA-N",386431,NA,"PDBC37036","678401","Present",NA,NA
+"37037","Glycochenodeoxycholic acid, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"glycochenodeoxycholic acid, sodium salt (7ci)",NA,"CC(CCC(=O)NCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]","AAYACJGHNRIFCT-YRJJIGPTSA-N",54608510,NA,"PDBC37037","681056","Present",NA,NA
+"37038","Glycoprotein isolated from Dunaliella salina and consist...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glycoprotein isolated from Dunaliella salina and consist...",NA,NA,NA,NA,NA,"PDBC37038","678111","Present",NA,NA
+"37039","Glycyl-DL-serine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC163326",NA,"C(C(C(=O)O)NC(=O)CN)O","BCCRXDTUTZHDEU-UHFFFAOYSA-N",102466,NA,"PDBC37039","163326","Present",NA,NA
+"37040","Glycylaminophenylbenzoylurea (HCl salt)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glycylaminophenylbenzoylurea (HCl salt)",NA,"CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)CN)OC3=NC=C(C=N3)Br.Cl","ZMRUVPSSBFAZBL-UHFFFAOYSA-N",375119,NA,"PDBC37040","654259","Present",NA,NA
+"37041","Glycyrrhetinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"biosone",NA,"CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C","MPDGHEJMBKOTSU-UHFFFAOYSA-N",3230,NA,"PDBC37041","35347","Present",NA,NA
+"37042","Glyhexamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"subose",NA,"C1CCC(CC1)NC(=O)NS(=O)(=O)C2=CC3=C(CCC3)C=C2","NFRPNQDSKJJQGV-UHFFFAOYSA-N",9953,NA,"PDBC37042","106960","Present",NA,NA
+"37043","Glyo-I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Glyo-I",NA,"CC1=CC(=CC(=C1C(=O)OC2=C(C(=C(C(=C2)CO)CO)O)CC=C(C)C)O)O","WTZUCTQSBSDSRG-UHFFFAOYSA-N",100450,NA,"PDBC37043","302378","Present",NA,NA
+"37044","Glyoxalase I inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-amino-5-[[3-[(4-bromophenyl)-hydroxycarbamoyl]sulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate;hydrochloride",NA,"CCOC(=O)CNC(=O)C(CSC(=O)N(C1=CC=C(C=C1)Br)O)NC(=O)CCC(C(=O)OCC)N.Cl","HFQRZRCYYQCUIG-UHFFFAOYSA-N",392752,NA,"PDBC37044","693570","Present",NA,NA
+"37045","Glyphosate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"roundup",NA,"C(C(=O)O)NCP(=O)(O)O","XDDAORKBJWWYJS-UHFFFAOYSA-N",3496,NA,"PDBC37045","151063","Present",NA,NA
+"37046","Gnidimacrin (G-1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gnidimacrin (G-1)",NA,"CC1CCCCCCC(C23OC4C5C6C(O6)(C(C7(C(C1C(C7OC(=O)C8=CC=CC=C8)C)C5(O2)C(CC4(O3)C(=C)C)COC(=O)C9=CC=CC=C9)O)O)CO)O","SSXCVTWCXHGTLK-UHFFFAOYSA-N",429314,NA,"PDBC37046","252940","Present",NA,NA
+"37047","Go-6976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Go6976",NA,NA,NA,NA,NA,NA,3501,NA,"PDBC37047",NA,"Absent",NA,NA
+"37048","Go-Y019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Go-Y019",NA,"COC1=CC=CC=C1C=CC(=O)C=CC2=CC=CC=C2OC","RCZMPCUUTSDNAJ-PHEQNACWSA-N",830608,NA,"PDBC37048","97906","Present",NA,NA
+"37049","Go-Y103",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Go-Y103",NA,"COC1=CC(=C(C=C1)C=CC(=O)C=CC2=C(C=C(C=C2)OC)OC)OC","KSZJPQHIPKEEMF-NXZHAISVSA-N",1352182,NA,"PDBC37049","677240","Present",NA,NA
+"37050","Gold(1+),3,4,6-tetraacetato-S:S)]bis(triethylphosphine)di-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gold (1+), [.mu.-(1-thio-.beta.-D-glucopyranose-2,3,4,6-...",NA,"CC[PH+](CC)CC.CC[PH+](CC)CC.CC(=O)OCC1C(C(C(C(O1)[S-])OC(=O)C)OC(=O)C)OC(=O)C.[Au].[Au]","WIDYMGFHNKRNJY-UHFFFAOYSA-O",6400213,NA,"PDBC37050","313990","Present",NA,NA
+"37051","Gold(1+);5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gold, [.mu.-(5,5'-bi-1H-tetrazolato(2-)-N1:N1')]bis(trip...",NA,"C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1(=NN=N[N-]1)C2=NN=N[N-]2.[Au+].[Au+]","SQKWSYIYFMNLOK-UHFFFAOYSA-P",6333597,NA,"PDBC37051","274547","Present",NA,NA
+"37052","Gold(1+);5-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-ylmethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gold, [.mu.-[[5,5'-methylenebis[1H-tetrazolato]](2-)-N(1...",NA,"C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C(C1=NN=N[N-]1)C2=NN=N[N-]2.[Au+].[Au+]","KXYJYWGJYDJXRA-UHFFFAOYSA-P",6333598,NA,"PDBC37052","274548","Present",NA,NA
+"37053","Gold(1+);5-(trifluoromethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gold(1+);5-(trifluoromethyl)-1,2,3-triaza-4-azanidacyclopenta-2,5-diene;triphenylphosphanium",NA,"C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1(=NN=N[N-]1)C(F)(F)F.[Au+]","GXJICUCRGZSYSO-UHFFFAOYSA-O",6333596,NA,"PDBC37053","274544","Present",NA,NA
+"37054","Gold(1+);imidazol-3-ide;triphenylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652536",NA,"C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CN=C[N-]1.[Au+]","KFHKEAGUNAAEOV-UHFFFAOYSA-O",6331140,NA,"PDBC37054","652536","Present",NA,NA
+"37055","Gold(1+);methyl-(1-methyltetrazol-5-yl)azanide;triphenylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gold(1+);methyl-(1-methyltetrazol-5-yl)azanide;triphenylphosphanium",NA,"C[N-]C1=NN=NN1C.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+]","KHGLILQBUOHVDR-UHFFFAOYSA-O",6333600,NA,"PDBC37055","274551","Present",NA,NA
+"37056","Gold, (2,3-dihydro-2-thioxo-4(1H)-pyrimidinonato-S)(trip...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gold, (2,3-dihydro-2-thioxo-4(1H)-pyrimidinonato-S)(trip...",NA,NA,NA,NA,NA,"PDBC37056","274555","Present",NA,NA
+"37057","Gold, chloro(triethylphosphine)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gold, chloro(triethylphosphine)-",NA,"CC[PH+](CC)CC.Cl[Au]","SYBBXLKWGHAVHP-UHFFFAOYSA-N",6333884,NA,"PDBC37057","313981","Present",NA,NA
+"37058","Gold, chloro(triphenylphosphine)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gold, chloro(triphenylphosphine)-",NA,NA,NA,NA,NA,"PDBC37058","306388","Present",NA,NA
+"37059","Gold;triethylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gold(1+), bis(triethylphosphine)-, chloride",NA,"CC[PH+](CC)CC.CC[PH+](CC)CC.[Au]","RYFGKYYHWPUGIC-UHFFFAOYSA-P",6333902,NA,"PDBC37059","321522","Present",NA,NA
+"37060","Gold;trimethylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gold(1+), bis(trimethylphosphine)-, chloride",NA,"C[PH+](C)C.C[PH+](C)C.[Au]","LACRKYBICSFMDW-UHFFFAOYSA-P",6333886,NA,"PDBC37060","313985","Present",NA,NA
+"37061","Golotimod",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Golotimod",NA,"C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)CCC(C(=O)O)N","CATMPQFFVNKDEY-YPMHNXCESA-N",6992140,NA,"PDBC37061","755401","Present",NA,NA
+"37062","Gomisin K3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCHISANHENOL",NA,"CC1CC2=CC(=C(C(=C2C3=C(C(=C(C=C3CC1C)OC)OC)OC)O)OC)OC","FYSHYFPJBONYCQ-UHFFFAOYSA-N",433451,NA,"PDBC37062","330515","Present",NA,NA
+"37063","Goniothalamicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Goniothalamicin",NA,"CCCCCCCCCCCCCCC(C1CCC(O1)C(CCC(CCCCCC(CC2=CC(OC2=O)C)O)O)O)O","NBVJDUCRUAUMAA-UHFFFAOYSA-N",357928,NA,"PDBC37063","617594","Present",NA,NA
+"37064","Goniothalamin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"goniothalamin",NA,"C1C=CC(=O)OC1C=CC2=CC=CC=C2","RLGHFVLWYYVMQZ-BZYZDCJZSA-N",6440856,NA,"PDBC37064","104956","Present",NA,NA
+"37065","Goniotriocin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Goniotriocin",NA,"CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCCC(CCCCCCCC2=CC(OC2=O)C)O)O)O","VKHXJBYQANZNTG-UHFFFAOYSA-N",393464,NA,"PDBC37065","695397","Present",NA,NA
+"37066","Gorgiacerodiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gorgiacerodiol",NA,"CC(=C)C1CC2=C(C=C(O2)C(C3C=C(C(C1O)O)C(=O)O3)C(=C)C)C(=O)OC","IFMBCRRGRMZJDX-ZMKKGPNFSA-N",387976,NA,"PDBC37066","682340","Present",NA,NA
+"37067","Gossypetin 3,8,3'-trimethyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MEGxp0_000612",NA,"COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C(=C(C=C3O)O)OC)OC)O","XZGZRRSEIISPEP-UHFFFAOYSA-N",5386961,NA,"PDBC37067","618932","Present",NA,NA
+"37068","Gossypetin 3-methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMPK12113232",NA,"COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC(=C(C=C3)O)O","WLHKPDQFOBROCS-UHFFFAOYSA-N",5386958,NA,"PDBC37068","618929","Present",NA,NA
+"37069","Gossypol acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Racemic gossypol, acetate salt///(-)-Gossypol/ 0.3 HOAc",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O.CC(=O)O","NIOHNDKHQHVLKA-UHFFFAOYSA-N",227456,NA,"PDBC37069","19048///727858","Present",NA,NA
+"37070","Gossypol bis(N-(2-hydroxyl)imine)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gossypol bis(N-(2-hydroxyl)imine)",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCCO)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCO)O)O)C(C)C)O)O","BCYBYJFADLNPHK-UHFFFAOYSA-N",223887,NA,"PDBC37070","11979","Present",NA,NA
+"37071","Gossypolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-Gossypolone",NA,"CC1=C(C(=C2C(=C(C(=C(C2=C1O)C(C)C)O)O)C=O)O)C3=C(C(=O)C4=C(C(=O)C(=O)C(=C4C3=O)C=O)C(C)C)C","FKZWANMBYLDTNI-UHFFFAOYSA-N",197045,NA,"PDBC37071","651924","Present",NA,NA
+"37072","Gracillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gracillin",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1","YQEMAEKYNNOCBY-GCVYEHSKSA-N",6712583,NA,"PDBC37072","698787","Present",NA,NA
+"37073","Gramoxone S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gramixel",NA,"C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.[Cl-]","PHBHFYCOBFRUKJ-UHFFFAOYSA-M",5351279,NA,"PDBC37073","263500","Present",NA,NA
+"37074","Granatomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Granatomycin A",NA,NA,NA,NA,NA,"PDBC37074","355063","Present",NA,NA
+"37075","Granulatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Granulatine",NA,"CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C(=C(C(=C3C)O)C(=O)OC)C)C=O)O","HTAATVDZOHXHBE-UHFFFAOYSA-N",5379546,NA,"PDBC37075","657327","Present",NA,NA
+"37076","Graviquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Graviquinone",NA,"COC(=O)C=CC1(C=CC(=O)C=C1)O","HVMSPHGUKBLNCL-QPJJXVBHSA-N",5470526,NA,"PDBC37076","702644","Present",NA,NA
+"37077","Griffipavixanthone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801686",NA,"CC1=CC2C(C(C3=C(C(=C4C(=C23)C(=O)C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C7=C6C(=O)C8=C(C=C(C=C8O7)O)O)O)O)C(C1)(C)C","KAPVRSRPLHVWCH-JNFGOLMQSA-N",60151566,NA,"PDBC37077","801686","Present",NA,NA
+"37078","Griffonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GRIFFONIN",NA,"C1=CC(=CC#N)C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O","WIIDBJNWXCWLKF-ZZXKWVIFSA-N",5458588,NA,"PDBC37078","290807","Present",NA,NA
+"37079","Gris-PEG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fulcin",NA,"CC1CC(=O)C=C(C12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC","DDUHZTYCFQRHIY-UHFFFAOYSA-N",3512,NA,"PDBC37079","34533","Present",NA,NA
+"37080","Griselimycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Griselimycin",NA,"CC1CC2C(=O)NC(C(=O)N(C(C(=O)N3CCCC3C(=O)N(C(C(=O)NCC(=O)OC(C(C(=O)NC(C(=O)N2C1)CC(C)C)N(C)C(=O)C4CC(CN4C(=O)C(C(C)C)N(C)C(=O)C)C)C)CC(C)C)C)C(C)C)C)CC(C)C","JSNIAKPKPNJUEP-UHFFFAOYSA-N",429055,NA,"PDBC37080","246122","Present",NA,NA
+"37081","Griseorhodine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Griseorhodine A",NA,NA,NA,NA,NA,"PDBC37081","102808","Present",NA,NA
+"37082","Grossheimin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GROSHEIMIN",NA,"CC1C2C(CC1=O)C(=C)CC(C3C2OC(=O)C3=C)O","YGMIBVIKXJJQQJ-UHFFFAOYSA-N",99967,NA,"PDBC37082","295425","Present",NA,NA
+"37083","Gskmi-714",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK-3484862",NA,"CCC1=C(C(=NC(=C1C#N)SC(C2=CC=CC=C2)C(=O)N)N(C)C)C#N","KIEQQZZDWUNUQK-MRXNPFEDSA-N",132233666,NA,"PDBC37083","825088","Present",NA,NA
+"37084","Guaiacol cinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guaiacol cinnamate",NA,"COC1=CC=CC=C1OC(=O)C=CC2=CC=CC=C2","SYKAZDSPTNFPJX-VAWYXSNFSA-N",695688,NA,"PDBC37084","700129","Present",NA,NA
+"37085","Guanacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanacrone",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N=CN","VXYVWJRQFZDGDU-UHFFFAOYSA-N",9571257,NA,"PDBC37085","630718","Present",NA,NA
+"37086","Guanazodine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC303851",NA,"C1CCCNC(CC1)CN=C(N)N.OS(=O)(=O)O","FKAIWDBDCWVRIG-UHFFFAOYSA-N",327732,NA,"PDBC37086","303851","Present",NA,NA
+"37087","Guanazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GUANAZOLE",NA,"C1(=NC(=NN1)N)N","PKWIYNIDEDLDCJ-UHFFFAOYSA-N",15078,NA,"PDBC37087","1895","Present",NA,NA
+"37088","Guanidine, (3-nitro-2-pyridyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanidine, (3-nitro-2-pyridyl)-, hydrochloride",NA,"C1=CC(=C(N=C1)N=C(N)N)[N+](=O)[O-].Cl","QQBQYCRAJOSZBD-UHFFFAOYSA-N",20844172,NA,"PDBC37088","88128","Present",NA,NA
+"37089","Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanidine, 1-(p-butoxyphenyl)-3-(p-chlorophenyl)-",NA,"CCCCOC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)Cl)N","RFYALWRZJIRDDV-UHFFFAOYSA-N",254258,NA,"PDBC37089","78365","Present",NA,NA
+"37090","Guanidine, 1-[(p-bromobenzylidene)amino]-3-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanidine, 1-[(p-bromobenzylidene)amino]-3-nitro-",NA,NA,NA,NA,NA,"PDBC37090","157073","Present",NA,NA
+"37091","Guanidine, 1H-benzimidazol-2-yl-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC618495",NA,"C1=CC=C2C(=C1)NC(=N2)N=C(N)N.Cl","LGQQUUVGOYYYLQ-UHFFFAOYSA-N",358487,NA,"PDBC37091","618495","Present",NA,NA
+"37092","Guanidine, 5-nitro-1H-benzimidazol-2-yl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(5-nitro-1H-benzo[d]imidazol-2-yl)guanidine",NA,"C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)N=C(N)N","NAGIDXZSUSERRK-UHFFFAOYSA-N",3246448,NA,"PDBC37092","126757","Present",NA,NA
+"37093","Guanidine, N'-cyano-N,N-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"W-201459",NA,"CN(C)C(=NC#N)N","TUYAIZHPVZJKIN-UHFFFAOYSA-N",121135,NA,"PDBC37093","643479","Present",NA,NA
+"37094","Guanidine, N-cyano-N',N''-bis(methoxymethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanidine, N-cyano-N',N''-bis(methoxymethyl)-",NA,"COCNC(=NCOC)NC#N","UAITYSAJVWQMCH-UHFFFAOYSA-N",9571328,NA,"PDBC37094","643469","Present",NA,NA
+"37095","Guanidine, N-cyano-N'-(hydroxymethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyano-N'-(hydroxymethyl)guanidine",NA,"C(N=C(N)NC#N)O","XFIZJENETBUYNB-UHFFFAOYSA-N",9571327,NA,"PDBC37095","643467","Present",NA,NA
+"37096","Guanidinium salt of Tungstoantimonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanidinium salt of Tungstoantimonate",NA,NA,NA,NA,NA,"PDBC37096","634563","Present",NA,NA
+"37097","Guanine, 9-beta-D-xylofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"guanozin",NA,"C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(NC2=O)N","NYHBQMYGNKIUIF-UHFFFAOYSA-N",135402034,NA,"PDBC37097","19994","Present",NA,NA
+"37098","Guanosine, 6-seleno-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Selenoguanosine",NA,"C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(N=C2[Se])N","GAJOUJZKZWZVPT-UHFFFAOYSA-N",6330249,NA,"PDBC37098","137679","Present",NA,NA
+"37099","Guanosine,3',5'-tripropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KC 1275",NA,"CCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CC)OC(=O)CC","YCMCIJGOJJFDEN-UHFFFAOYSA-N",5035970,NA,"PDBC37099","77556","Present",NA,NA
+"37100","Gusacitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ASN002",NA,"C1CN(CCC1CC#N)C2=NC3=C(C(=O)NN=C3)C(=N2)NC4=CC=C(C=C4)N5CCC(CC5)O","NLFLXLJXEIUQDL-UHFFFAOYSA-N",71269142,NA,"PDBC37100","818003","Present",NA,NA
+"37101","Gusperimus monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gusperimus Trihydrochloride",NA,"C(CCCN=C(N)N)CCC(=O)NC(C(=O)NCCCCNCCCN)O.Cl","FODMSVBVCPOQRL-UHFFFAOYSA-N",24838593,NA,"PDBC37101","356894","Present",NA,NA
+"37102","Gymnasterkoreayne F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E,8S,9Z)-2,9,16-heptadecatrien-4,6-diyn-1,8-diol",NA,"C=CCCCCCC=CC(C#CC#CC=CCO)O","UOQDNDFAPLNEJQ-RZTJKQGCSA-N",10355169,NA,"PDBC37102","735472","Present",NA,NA
+"37103","Gyrophoric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gyrophoric acid",NA,"CC1=CC(=CC(=C1C(=O)OC2=CC(=C(C(=C2)C)C(=O)OC3=CC(=C(C(=C3)C)C(=O)O)O)O)O)O","ATQPZSQVWCPVGV-UHFFFAOYSA-N",135728,NA,"PDBC37103","646006","Present",NA,NA
+"37104","H-(D)Arg-(D)Pro-Lys-Pro-Gln-Gln-(D)Trp-Phe-(D)Trp-Leu-Leu-NH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H-(D)Arg-(D)Pro-Lys-Pro-Gln-Gln-(D)Trp-Phe-(D)Trp-Leu -L...",NA,"CC(C)CC(C(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C6CCCN6C(=O)C(CCCCN)NC(=O)C7CCCN7C(=O)C(CCCN=C(N)N)N","SAPCBHPQLCZCDV-WFRSFGLMSA-N",25080886,NA,"PDBC37104","614051","Present",NA,NA
+"37105","H-4Abz-Gly-Pro-DL-Leu-D-Ala-NHOH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FN 439",NA,"CC(C)CC(C(=O)NC(C)C(=O)NO)NC(=O)C1CCCN1C(=O)CNC(=O)C2=CC=C(C=C2)N","WWHUHFFMOPIVKB-CFNGDTMJSA-N",24203254,NA,"PDBC37105","727371","Present",NA,NA
+"37106","H-8 Dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H-8 2HCl",NA,NA,"CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2.Cl.Cl","RJJLZYZEVNCZIW-UHFFFAOYSA-N",150584,NA,"PDBC37106",NA,"Absent",NA,NA
+"37107","H-Asn-Met-Trp-Gln-Glu-Val-Gly-Lys-Ala-OH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H-Asn-Met-Trp-Gln-Glu-Val-Gly-Lys-Ala-OH",NA,"CC(C)C(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CCSC)NC(=O)C(CC(=O)N)N","WEHTYZFPPJZISZ-GHWJQNNOSA-N",6711288,NA,"PDBC37107","614333","Present",NA,NA
+"37108","H-Asn-NH HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC186919",NA,"C(C(C(=O)N)N)C(=O)N.Cl","SLBULRLSTNDQED-UHFFFAOYSA-N",24195510,NA,"PDBC37108","186919","Present",NA,NA
+"37109","H-Cys(mmt)-OH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"l-cysteine, s-[(4-methoxyphenyl)diphenylmethyl]-",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N","QAINHNNAIDVCEZ-UHFFFAOYSA-N",420454,NA,"PDBC37109","123528","Present",NA,NA
+"37110","H-D-Leu-Betana HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC83633",NA,"CC(C)CC(C(=O)NC1=CC2=CC=CC=C2C=C1)N.Cl","HTHKKWZMEVJWQF-UHFFFAOYSA-N",3013954,NA,"PDBC37110","83633","Present",NA,NA
+"37111","H-L KWLKIGKVA KKLAKSFVGL LGKIKKG-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H-L KWLKIGKVA KKLAKSFVGL LGKIKKG-N",NA,NA,NA,NA,NA,"PDBC37111","803679","Present",NA,NA
+"37112","H-Lys(Tos)-Oh",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC66203",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCCCC(C(=O)O)N","FRJAAXSHLGSWAP-UHFFFAOYSA-N",248765,NA,"PDBC37112","66203","Present",NA,NA
+"37113","H3B-6527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"H3B-6527",NA,"CCN1CCN(CC1)C2=CC(=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl)NC(=O)C=C","MBWRLLRCTIYXDW-UHFFFAOYSA-N",118029202,NA,"PDBC37113","800283","Present",NA,NA
+"37114","H4Daps",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC328567///NSC617573",NA,"CC(=NNC(=O)C1=CC=CC=C1O)C2=NC(=CC=C2)C(=NNC(=O)C3=CC=CC=C3O)C","LZZXYEOYZNOUPB-LVSXPEEVSA-N",5779747,NA,"PDBC37114","328567///617573","Present",NA,NA
+"37115","HAMYCIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HAMYCIN",NA,NA,NA,NA,NA,"PDBC37115","72847","Present",NA,NA
+"37116","HELENIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HELENIN",NA,"CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C.CC12CCCC(=C)C1CC3C(C2)OC(=O)C3=C","BSIJWVLHHXRGIG-YULDBFNHSA-N",315682,NA,"PDBC37116","333843","Present",NA,NA
+"37117","HETUFXIBHGGXFY-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HETUFXIBHGGXFY-UHFFFAOYSA-N",NA,"CCCCCCCCCCCC1=NOC2=C1C(=O)C(CC2)O","HETUFXIBHGGXFY-UHFFFAOYSA-N",360501,NA,"PDBC37117","622635","Present",NA,NA
+"37118","HGHUIMUBLYEQDT-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HGHUIMUBLYEQDT-UHFFFAOYSA-N",NA,"CC(C1=CC=CC=C1Cl)NC2=NCCO2","HGHUIMUBLYEQDT-UHFFFAOYSA-N",379843,NA,"PDBC37118","664975","Present",NA,NA
+"37119","HHKCYVZNMDYRMQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HHKCYVZNMDYRMQ-UHFFFAOYSA-N",NA,"CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)I","HHKCYVZNMDYRMQ-UHFFFAOYSA-N",391871,NA,"PDBC37119","691534","Present",NA,NA
+"37120","HI93T94CTM",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HI93T94CTM",NA,"C1=C(SC(=C1)C2=CC=C(S2)Br)C3=CC=C(S3)Br","KXFPYYJGYVYXIB-UHFFFAOYSA-N",176690,NA,"PDBC37120","700236","Present",NA,NA
+"37121","HIV-1 integrase inhibitor 7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-CATA",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC(C(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)O)OC(=O)C","RMUUAKSNUFVKKT-PMTCXZIRSA-N",5470297,NA,"PDBC37121","699172","Present",NA,NA
+"37122","HKKKANZBUZYLQW-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HKKKANZBUZYLQW-UHFFFAOYSA-N",NA,"C1=CC(=CC=C1C=C2C(=C(C(=C2Cl)Cl)Cl)Cl)Cl","HKKKANZBUZYLQW-UHFFFAOYSA-N",230810,NA,"PDBC37122","26110","Present",NA,NA
+"37123","HLI-98D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HLI-98D",NA,"C1=CC(=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O)Cl","NGFVSPNFZJSTPT-UHFFFAOYSA-N",1114145,NA,"PDBC37123","729132","Present",NA,NA
+"37124","HLKANFKOOWUNDF-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HLKANFKOOWUNDF-UHFFFAOYSA-N",NA,"CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC=CS2)C3=CC=CS3","HLKANFKOOWUNDF-UHFFFAOYSA-N",400097,NA,"PDBC37124","711589","Present",NA,NA
+"37125","HM-4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HM-4",NA,"CC=C(C)C(=O)OC1CC2(C(CC(O2)C(=CC3C1C(=C)C(=O)O3)C)O)C","UEFXHAIMDIUNBV-QZTBCQRESA-N",5477565,NA,"PDBC37125","329691","Present",NA,NA
+"37126","HM-9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HM-9",NA,"CC=C(C)C(=O)OC1CC(C(CC(C(=CC2C1C(=C)C(=O)O2)C)O)O)(C)O","SVVYQGVHECGYCJ-JMQWPVDRSA-N",5838553,NA,"PDBC37126","329695","Present",NA,NA
+"37127","HM-9-AO",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HM-9-AO",NA,"CC=C(C)C(=O)OC1CC2(C(CC(=O)C(=CC3C1C(=C)C(=O)O3)C)OC(O2)(C)C)C","FLFMCOUWCKZBIU-QHKWOANTSA-N",54598638,NA,"PDBC37127","329696","Present",NA,NA
+"37128","HPGRHBUVEMOPFD-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HPGRHBUVEMOPFD-UHFFFAOYSA-N",NA,"CCC1(C(=O)C2=CC=CC=C2N(C1=O)C)N=[N+]=[N-]","HPGRHBUVEMOPFD-UHFFFAOYSA-N",374155,NA,"PDBC37128","651612","Present",NA,NA
+"37129","HPI-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HPI-1",NA,"CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)O)C(=O)OCCOC","ZXSWZQSYZYMZKS-UHFFFAOYSA-N",2926768,NA,"PDBC37129","758486","Present",NA,NA
+"37130","HQOMUDZMZFTCPL-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HQOMUDZMZFTCPL-UHFFFAOYSA-N",NA,"COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl","HQOMUDZMZFTCPL-UHFFFAOYSA-N",392735,NA,"PDBC37130","693541","Present",NA,NA
+"37131","HSCI1_000155",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HSCI1_000155",NA,"C1CC(CCC1CC2CCC(CC2)NC(=O)C(=CC3=CC(=C(C=C3)O)O)C#N)NC(=O)C(=CC4=CC(=C(C=C4)O)O)C#N","VEPQEAOWDILSHB-KOJZRSEWSA-N",5467485,NA,"PDBC37131","653260","Present",NA,NA
+"37132","HSDB 8106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HSDB 8106",NA,"C1C(C(OC(=O)C2=CC(=C(C(=C2C3=C(C(=C4C5=C3C(=O)OC6=C(C(=C(C7=C(C(=C(C=C7C(=O)O1)O)O)O)C(=C56)C(=O)O4)O)O)O)O)O)O)O)C8C(OC(=O)C9=CC(=C(C(=C9C1=C(C(=C(C=C1C(=O)O8)O)O)O)O)O)O)C=O)O","SKNLUADAGHCXKF-UHFFFAOYSA-N",16129719,NA,"PDBC37132","676825","Present",NA,NA
+"37133","HTS001086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HTS001086",NA,"CN1C2=CC=CC=C2C(=O)NC13CCNCC3","HELAPIIBUJVKGM-UHFFFAOYSA-N",379977,NA,"PDBC37133","665284","Present",NA,NA
+"37134","HTS028264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HTS028264",NA,"CN1C(=CC(=O)N(C1=O)C)N=CN(C)C","WXPDRYSTJQKFDQ-UXBLZVDNSA-N",9571606,NA,"PDBC37134","686405","Present",NA,NA
+"37135","HTS028333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HTS028333",NA,"COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3=CC=CC=N3","OYGPEBVFSFOCTJ-UHFFFAOYSA-N",397080,NA,"PDBC37135","704393","Present",NA,NA
+"37136","HYPOTHEMYCIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HYPOTHEMYCIN",NA,"CC1CC=CC(=O)C2C(O2)CC(C(C3=C(C(=CC(=C3)OC)O)C(=O)O1)O)O","HDZUUVQEDFZKAX-HWKANZROSA-N",5477775,NA,"PDBC37136","354462","Present",NA,NA
+"37137","HZAQKBMXOLLJTH-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HZAQKBMXOLLJTH-UHFFFAOYSA-N",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)C(F)(F)F)NC(=O)CC(C)C","HZAQKBMXOLLJTH-UHFFFAOYSA-N",389157,NA,"PDBC37137","684841","Present",NA,NA
+"37138","HZLAGPFZLLYVCV-QURGRASLSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HZLAGPFZLLYVCV-QURGRASLSA-N",NA,"C1CC2=CC(=CC3=C2N(C1)CCC3)N=NC4=C(C=CC(=C4)Cl)Cl","HZLAGPFZLLYVCV-UHFFFAOYSA-N",377620,NA,"PDBC37138","659198","Present",NA,NA
+"37139","Hadacidin sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hadacidin",NA,"C(C(=O)O)N(C=O)O.[Na+]","GAGCLKDXQBHHBE-UHFFFAOYSA-N",23617820,NA,"PDBC37139","521778","Present",NA,NA
+"37140","Haemanthamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"natalensin",NA,"COC1CC2C3(C=C1)C(CN2CC4=CC5=C(C=C34)OCO5)O","YGPRSGKVLATIHT-HSHDSVGOSA-N",441593,NA,"PDBC37140","403140","Present",NA,NA
+"37141","Haginin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Haginin A",NA,"COC1=C(C=CC(=C1OC)O)C2=CC3=C(C=C(C=C3)O)OC2","JGINXZCTOGQYKS-UHFFFAOYSA-N",338286,NA,"PDBC37141","360042","Present",NA,NA
+"37142","Halaven",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Halaven",NA,"CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O","UFNVPOGXISZXJD-NJYFXJPISA-N",24764416,NA,"PDBC37142","825254","Present",NA,NA
+"37143","Halenaquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Halenaquinone",NA,"CC12CCC(=O)C3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4","SMGBXXZKAPMTBB-FQEVSTJZSA-N",370346,NA,"PDBC37143","643407","Present",NA,NA
+"37144","Halethazole hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"episol hydrochloride",NA,"CCN(CC)CCOC1=CC=C(C=C1)C2=NC3=C(S2)C=CC(=C3)Cl.Cl","ZDKBIKAYRLTVKY-UHFFFAOYSA-N",24188465,NA,"PDBC37144","76066","Present",NA,NA
+"37145","Haliclonacylamine-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Haliclonacylamine-A",NA,"C1CCCC2CN3CCCCC=CCCCCC4CC(C2CC3)CN(C4)CCCCC=CCC1","JANRLKRLOULGGB-MRYHGRHFSA-N",5469974,NA,"PDBC37145","695020","Present",NA,NA
+"37146","Haliclonacylamine-B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Haliclonacylamine-B",NA,"C1CCCCN2CC3CCCCC=CCCCCN4CCC(C(C4)CCC=CCCC1)C(C3)C2","NJJKGPKLDNEHBE-SVALTEQCSA-N",5469975,NA,"PDBC37146","695021","Present",NA,NA
+"37147","Halistanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Halistanol",NA,"CC(CCC(C)C(C)(C)C)C1CCC2C1(CCC3C2CC(C4C3(CC(C(C4)O)O)C)O)C","VSYXVGMOAPVKFR-KFPLHMCGSA-N",5459114,NA,"PDBC37147","622259","Present",NA,NA
+"37148","Halocarban",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cloflucarban",NA,"C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)Cl","ZFSXZJXLKAJIGS-UHFFFAOYSA-N",9719,NA,"PDBC37148","114133","Present",NA,NA
+"37149","Halofantrine methylsulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Halofantrine methylsulfate",NA,"CCCCN(CCCC)CCC(C1=C2C=CC(=CC2=C3C=C(C=C(C3=C1)Cl)Cl)C(F)(F)F)O.CS(=O)(=O)O","LMWPNWPFYVCINS-UHFFFAOYSA-N",328140,NA,"PDBC37149","305789","Present",NA,NA
+"37150","Halofuginone hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Halofuginone Hydrobromide",NA,"C1CC(C(NC1)CC(=O)CN2C=NC3=CC(=C(C=C3C2=O)Cl)Br)O.Br","SJUWEPZBTXEUMU-LDXVYITESA-N",400771,NA,"PDBC37150","713205","Present",NA,NA
+"37151","Halomon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"synthetic halomon",NA,"CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Cl","OVLCIYBVQSJPKK-PSASIEDQSA-N",132430,NA,"PDBC37151","673503","Present",NA,NA
+"37152","Halomonoterpene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HALOMON",NA,"CC(C)(C(CCC(CBr)(C(=C)Cl)Cl)Br)Cl","OVLCIYBVQSJPKK-SCZZXKLOSA-N",6711996,NA,"PDBC37152","650893","Present",NA,NA
+"37153","Haloquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Haloquinone",NA,"CC1=C(C=C2C3=C(C(=CC=C3)O)C(=O)C(=O)C2=C1O)C(=O)C","CPYFLMXPZMBECD-UHFFFAOYSA-N",133561,NA,"PDBC37153","789947","Present",NA,NA
+"37154","Hannoaenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"undulatone",NA,"CC=C(C)C(=O)OC1C2C(=CC(=O)C(C2(C3C45C1OC(=O)C(C4C(C(C3(OC5)O)O)C)OC(=O)C)C)O)C","VKCVPDRXEYKUOZ-JXMROGBWSA-N",5476831,NA,"PDBC37154","267709","Present",NA,NA
+"37155","Harmalol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Harmalol hydrochloride",NA,"CC1=NCCC2=C1NC3=C2C=CC(=C3)O.Cl","BSWAWVOHMZNXOS-UHFFFAOYSA-N",145825,NA,"PDBC37155","640461","Present",NA,NA
+"37156","Harman-3-carbonsaure",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Harman-3-carbonsaure",NA,"CC1=NC(CC2=C1NC3=CC=CC=C23)C(=O)O","DEAAKPHRJVNJBN-UHFFFAOYSA-N",189011,NA,"PDBC37156","623959","Present",NA,NA
+"37157","Harmicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Harmicine",NA,"C1CC2C3=C(CCN2C1)C4=CC=CC=C4N3","LXJWBHIVLXMHDZ-UHFFFAOYSA-N",372331,NA,"PDBC37157","647389","Present",NA,NA
+"37158","Harmol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Harmol hydrochloride",NA,"CC1=C2C(=C3C=CC(=O)C=C3N2)C=CN1.Cl","RBOUBJPHXSVUTH-UHFFFAOYSA-N",94507,NA,"PDBC37158","640470","Present",NA,NA
+"37159","Haterumalide NA methyl esters",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haterumalide NA methyl esters",NA,"CC1=CCC=C(CCC2CC(C(O2)C(C=C(C)CC(=O)OC)O)OC(=O)CC1OC(=O)C)Cl","ONIIFUCGUYMWTD-IPUHWJITSA-N",24204452,NA,"PDBC37159","731928","Present",NA,NA
+"37160","Haterumalide ring system",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"haterumalide ring system",NA,"CC1=CCC=C(CCC2CC(C(O2)CO)OC(=O)CC1OC(=O)C)Cl","UIEQQRMCTQTUCP-WBNBLHGKSA-N",24204453,NA,"PDBC37160","731929","Present",NA,NA
+"37161","Hebelomic Acid A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hebelomic Acid A",NA,"CC(=O)OC1C(CC2(C(C1(C)C)CCC3=C2CC(C4(C3(CCC4C5CCC(OC5O)C(C)(C)O)C)C)O)C)OC(=O)CC(C)(CC(=O)O)O","CBOCHURFHBDQGB-JEFNEBLMSA-N",384883,NA,"PDBC37161","675555","Present",NA,NA
+"37162","Hebelomic Acid F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hebelomic Acid F",NA,"CC(=O)OC1C(CC2(C(C1(C)C)CCC3=C2CCC4(C3(CCC4C5CCC(OC5OC(=O)C)C(C)(C)O)C)C)C)OC(=O)CC(C)(CC(=O)O)O","JBMORHZTYFJYCP-NKSTZJLESA-N",384884,NA,"PDBC37162","675556","Present",NA,NA
+"37163","Hedamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hedamycin",NA,"CC1C(C(CC(O1)C2=CC(=C(C3=C2C(=O)C4=C(C3=O)C5=C(C(=C4)C)C(=O)C=C(O5)C6(C(O6)C7C(O7)C)C)O)C8CC(C(C(O8)C)O)(C)N(C)C)N(C)C)O","RZOFHOWMWMTHDX-UHFFFAOYSA-N",98033,NA,"PDBC37163","70929","Present",NA,NA
+"37164","Hederagenin 3,23-acetonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hederagenin 3,23-acetonide",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC6C5(COC(O6)(C)C)C)C)C)C2C1)C)C(=O)O)C","GZTXRAOZNVKIDQ-YYRIWJFKSA-N",382832,NA,"PDBC37164","670662","Present",NA,NA
+"37165","Helenalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Helenalin",NA,"CC1CC2C(C(C3(C1C=CC3=O)C)O)C(=C)C(=O)O2","ZVLOPMNVFLSSAA-XEPQRQSNSA-N",23205,NA,"PDBC37165","85236","Present",NA,NA
+"37166","Helenatriol B(sub 0)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Helenatriol B(sub 0)",NA,"CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CC=C1C)CO)O)C)C)(C)C)O)C","SAJCKXGPHBRCAY-BVCMAEDNSA-N",397933,NA,"PDBC37166","707001","Present",NA,NA
+"37167","Helenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BOHLMANN K2631",NA,"CC1CCCC2(C1=CC3C(C2)OC(=O)C3=C)C","PXOYOCNNSUAQNS-UHFFFAOYSA-N",327378,NA,"PDBC37167","302289","Present",NA,NA
+"37168","Heliangolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HELIANGOLIDE",NA,"CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=CC3C1C(=C)C(=O)O3)C)C","QATUWZPYBIHFFR-VZDUCZRCSA-N",5384466,NA,"PDBC37168","335753","Present",NA,NA
+"37169","Heliantriol C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Heliantriol C",NA,"CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(C(C=C1C)O)C)O)C)C)(C)C)O)C","SCAPWGHHHZEERU-DVYMRSPSSA-N",397879,NA,"PDBC37169","706731","Present",NA,NA
+"37170","Heliquinomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Heliquinomycin",NA,"CC1C(C(CC(O1)OC2C3=C(C4=C(C(=C3OC25C(CC6=C(O5)C(=C7C(=C6)C=C(OC7=O)C(=O)OC)O)O)O)C(=O)C(=CC4=O)OC)O)OC)O","MLFZQFHGXSVTGX-VJANPNJTSA-N",5470493,NA,"PDBC37170","702208","Present",NA,NA
+"37171","Hemicholinium-15",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hemicholinium-15",NA,"C[N+]1(CCOC(C1)(C2=CC=CC=C2)O)C.[Br-]","VQGRNOCAQVTQAI-UHFFFAOYSA-M",197807,NA,"PDBC37171","100754","Present",NA,NA
+"37172","Hemigossypolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hemigossypolone",NA,"CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)C(C)C)O)O)C=O","CERPPXZGSNEVMI-UHFFFAOYSA-N",182249,NA,"PDBC37172","650936","Present",NA,NA
+"37173","Hepsulfam",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hepsulfam",NA,"C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N","GOJJWDOZNKBUSR-UHFFFAOYSA-N",100606,NA,"PDBC37173","329680","Present",NA,NA
+"37174","Heptamethyl-p-rosaniline chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"iodine green",NA,"CC1=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)[N+](C)(C)C)C=CC1=[N+](C)C.[Cl-]","OATKMJAXHOEMDD-UHFFFAOYSA-M",54605107,NA,"PDBC37174","8673","Present",NA,NA
+"37175","Herbasterol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Herbasterol",NA,"CC(C)CCCC(C)C1CCC(C1(C)CCO)C2CC(C3CC(C(CC3(C2=O)CO)O)O)O","UWPWCNUBZQKCGV-LBYIKTMNSA-N",355716,NA,"PDBC37175","609821","Present",NA,NA
+"37176","Herbimycin Herbimycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Herbimycin",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C=C(C1OC)C2=O)C)OC)OC(=O)N)C)C)OC)OC","MCAHMSDENAOJFZ-LHRBXNIJSA-N",24198856,NA,"PDBC37176","305978","Present",NA,NA
+"37177","Hernandifoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stephisoferuline///Hernandifoline",NA,"COC1C(CC23CCNC24C1(OC(C4)C5=C3C(=C(C=C5)OC)O)OC)OC(=O)C=CC6=CC(=C(C=C6)OC)O","YYOXLLHHBARIFS-UXBLZVDNSA-N",5475263,NA,"PDBC37177","135035///339276","Present",NA,NA
+"37178","Herveline O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Herveline O",NA,"CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC4=C5CC6C7=CC(=C(C=C7CC(C5=CC(=C4OC)OC)N6C)OC)O)OC","WQYVZFLXYIOFCT-AYQJTBPPSA-N",5459269,NA,"PDBC37178","676002","Present",NA,NA
+"37179","Hesperitin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hesperitin",NA,"COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O","AIONOLUJZLIMTK-UHFFFAOYSA-N",3593,NA,"PDBC37179","641520","Present",NA,NA
+"37180","Heteromine B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691768",NA,"CNC1=NC2=C(C(=N1)OC)N(C=[N+]2C)C.[Cl-]","GSVCETUWTVKGRW-UHFFFAOYSA-M",391984,NA,"PDBC37180","691768","Present",NA,NA
+"37181","Hex-1-ynyl(phenyl)iodanium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646704",NA,"CCCCC#C[I+]C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]","PJHVCGKYVCGOOH-UHFFFAOYSA-M",10938976,NA,"PDBC37181","646704","Present",NA,NA
+"37182","Hex-2-ynyl 3,5-dinitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hex-2-ynyl 3,5-dinitrobenzoate",NA,"CCCC#CCOC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-]","QZVNBFWAMKHIQF-UHFFFAOYSA-N",349000,NA,"PDBC37182","408545","Present",NA,NA
+"37183","Hexaammineosmium(III)iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexaammineosmium(III)iodide",NA,"N.N.N.N.N.N.[I-].[Os]","GOWBUJXQPIDGNU-UHFFFAOYSA-M",24202192,NA,"PDBC37183","632564","Present",NA,NA
+"37184","Hexadecanaminium,N-bis(2-hydroxyethyl)-N-methyl-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexadecanaminium, 2-hydroxy-N,N-bis(2-hydroxyethyl)- N-m...",NA,"CCCCCCCCCCCCCCC(C[N+](C)(CCO)CCO)O.[Cl-]","TVHASYBZQSLFAU-UHFFFAOYSA-M",386355,NA,"PDBC37184","678146","Present",NA,NA
+"37185","Hexadecanaminium,N-dimethyl-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexadecanaminium, N-(chloromethyl)-N,N-dimethyl-, chloride",NA,"CCCCCCCCCCCCCCCC[N+](C)(C)CCl.[Cl-]","MHHYEFPLIFHKPQ-UHFFFAOYSA-M",383939,NA,"PDBC37185","672904","Present",NA,NA
+"37186","Hexadecyl 2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethylazaniumyl]ethyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexadecyl 2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)-dimethylazaniumyl]ethyl phosphate",NA,"CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C1CC(N(C(C1)(C)C)O)(C)C","ARWNQZLAJQUWHK-UHFFFAOYSA-N",4211269,NA,"PDBC37186","701824","Present",NA,NA
+"37187","Hexadecyl-[2-(trimethylazaniumyl)ethoxy]phosphinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Hexadecyl(hydroxy)phosphoryl]oxyethyl-trimethyl-ammonium",NA,"CCCCCCCCCCCCCCCCP(=O)([O-])OCC[N+](C)(C)C","HQOKCCMTRLZZBE-UHFFFAOYSA-N",381954,NA,"PDBC37187","669266","Present",NA,NA
+"37188","Hexadecyl-[[4-[[hexadecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexadecyl-[[4-[[hexadecyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide",NA,"CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]","ZREWUFJOTUKWSQ-UHFFFAOYSA-M",361974,NA,"PDBC37188","625457","Present",NA,NA
+"37189","Hexadecylphospho(N-acetyl)-L-serine (NH4 salt)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexadecylphospho(N-acetyl)-L-serine (NH4 salt)",NA,"CCCCCCCCCCCCCCCCOP(=O)(O)OCC(C(=O)O)NC(=O)C.N","FLPSPEWODPJFIU-UHFFFAOYSA-N",383117,NA,"PDBC37189","671161","Present",NA,NA
+"37190","Hexafluoro phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexafluoro phosphate",NA,NA,NA,NA,NA,"PDBC37190","684713","Present",NA,NA
+"37191","Hexahomotrioxacalix[3]arene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tritert-butyl[?]triol",NA,"CC(C)(C)C1=CC2=C(C(=C1)COCC3=CC(=CC(=C3O)COCC4=C(C(=CC(=C4)C(C)(C)C)COC2)O)C(C)(C)C)O","POMGZJQFTLTHSC-UHFFFAOYSA-N",395590,NA,"PDBC37191","700320","Present",NA,NA
+"37192","Hexahydro-1H-pyrrolizine-7a-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3,5,6,7-Hexahydropyrrolizine-8-carbaldehyde",NA,"C1CC2(CCCN2C1)C=O","VVWRHELZTWIQIE-UHFFFAOYSA-N",394150,NA,"PDBC37192","697384","Present",NA,NA
+"37193","Hexahydropyridazino[1,2-a]pyridazine-1,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexahydropyridazino[1,2-a]pyridazine-1,4-dione",NA,"C1CCN2C(=O)CCC(=O)N2C1","RRDKWTABYARDHG-UHFFFAOYSA-N",366000,NA,"PDBC37193","634171","Present",NA,NA
+"37194","Hexahydroxyethylaminomethyl melamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexahydroxyethylaminomethyl melamine",NA,"C(CO)NCN(CNCCO)C1=NC(=NC(=N1)N(CNCCO)CNCCO)N(CNCCO)CNCCO","FYHOLWAKUFPPAM-UHFFFAOYSA-N",374756,NA,"PDBC37194","653000","Present",NA,NA
+"37195","Hexamethyl 2-methoxytricyclo[6.3.2.02,7]trideca-3,5,10,12-tetraene-3,4,5,6,9,10-hexacarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexamethyl 2-methoxytricyclo[6.3.2.02,7]trideca-3,5,10,12-tetraene-3,4,5,6,9,10-hexacarboxylate",NA,"COC(=O)C1C2C=CC(C=C1C(=O)OC)C3(C2C(=C(C(=C3C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)OC","XNAAAPRJEKKCQZ-UHFFFAOYSA-N",361798,NA,"PDBC37195","625118","Present",NA,NA
+"37196","Hexamethylene bisacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HMBA",NA,"CC(=O)NCCCCCCNC(=O)C","BNQSTAOJRULKNX-UHFFFAOYSA-N",3616,NA,"PDBC37196","95580","Present",NA,NA
+"37197","Hexamethylenetetramine, p,alpha-dibromo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexamethylenetetramine, compd. with toluene, p,.alpha.-d...",NA,"C1N2CN3CN1C[N+](C2)(C3)CC4=CC=C(C=C4)Br.[Br-]","XCAZYBVIDKCXKH-UHFFFAOYSA-M",10916129,NA,"PDBC37197","80640","Present",NA,NA
+"37198","Hexamethylquercetagetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quercetagenin hexamethylether",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C=C3O2)OC)OC)OC)OC)OC","CHXSDKWBSFDZEU-UHFFFAOYSA-N",386331,NA,"PDBC37198","678108","Present",NA,NA
+"37199","Hexanal, 4-methyl-6-(phenylmethoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexanal, 4-methyl-6-(phenylmethoxy)-",NA,"CC(CCC=O)CCOCC1=CC=CC=C1","RKZYNDQFWFVEQV-UHFFFAOYSA-N",357756,NA,"PDBC37199","617277","Present",NA,NA
+"37200","Hexanedioic acid,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-naphthacenyl]ethylidene]hydrazide], dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.al...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)CCCCC(=O)NN=C(C)C6(CC(C7=C(C6)C(=C8C(=C7O)C(=O)C9=C(C8=O)C=CC=C9OC)O)OC1CC(C(C(O1)C)O)N)O)C)O)N)O","WWVGIBNAHCRGSA-JCAINFKWSA-N",9573626,NA,"PDBC37200","273432","Present",NA,NA
+"37201","Hexanoic acid 2-hydroxymethyl-4-(3-isopropyl-4-methyl-pentylidene)-5-oxo-tetrahydro-furan-2-ylmethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl hexanoate",NA,"CCCCCC(=O)OCC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO","BWJOJZPMFILAAD-YVLHZVERSA-N",5470617,NA,"PDBC37201","703744","Present",NA,NA
+"37202","Hexanoic acid, 5,6-dibromo-6-[p-chlorophenyl]-2,4-dioxo-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexanoic acid, 5,6-dibromo-2,4-dioxo-6-(4-chlorophenyl)-...",NA,"CCOC(=O)C(=O)CC(=O)C(C(C1=CC=C(C=C1)Cl)Br)Br","QBIOHOVAXBAEJE-UHFFFAOYSA-N",360209,NA,"PDBC37202","622188","Present",NA,NA
+"37203","Hexanoic acid, 6-[(7-methoxy-1-nitro-9-acridinyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexanoic acid, 6-[(7-methoxy-1-nitro-9-acridinyl)amino]-",NA,"COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCCCCC(=O)O","DMVRDIUGDIVKPU-UHFFFAOYSA-N",384253,NA,"PDBC37203","673799","Present",NA,NA
+"37204","Hexathiocarbamideosmium(III)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexathiocarbamideosmium(III)chloride",NA,NA,NA,NA,NA,"PDBC37204","632561","Present",NA,NA
+"37205","Hexitol, 2,5-anhydro-1-deoxy-1-phosphono-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexitol, 2,5-anhydro-1-deoxy-1-phosphono-",NA,"C(C1C(C(C(O1)CP(=O)(O)O)O)O)O","DFYLWBCXEJFDNK-UHFFFAOYSA-N",386969,NA,"PDBC37205","680206","Present",NA,NA
+"37206","Hexyl 2-[(5Z)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Hexyl 2-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)m...",NA,"CCCCCCOC(=O)CC1=C(C(=CC2=C(C=C(N2)C3=CC=CN3)OC)N=C1C)C","MCAJHHIMUMZGAC-ZHZULCJRSA-N",155816601,NA,"PDBC37206","787809","Present",NA,NA
+"37207","Hexyl O-methyltyrosinate--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexyl 2-amino-3-(4-methoxyphenyl)propanoate;hydrochloride",NA,"CCCCCCOC(=O)C(CC1=CC=C(C=C1)OC)N.Cl","VDCTXPMBBCZHOQ-UHFFFAOYSA-N",24200836,NA,"PDBC37207","401586","Present",NA,NA
+"37208","Hexyl diethylcarbamo(dithioperoxo)thioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hexyl diethylcarbamo(dithioperoxo)thioate",NA,"CCCCCCSSC(=S)N(CC)CC","JMAKJOJFVMKPEI-UHFFFAOYSA-N",46700805,NA,"PDBC37208","749792","Present",NA,NA
+"37209","Hexyl-[[4-[[hexyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexyl-[[4-[[hexyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium;bromide",NA,"CCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCC.[Br-]","UKTMLCPHIIOZJU-UHFFFAOYSA-M",361970,NA,"PDBC37209","625455","Present",NA,NA
+"37210","Himbafcine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Himbacine",NA,"CC1CCCC(N1C)C=CC2C3CCCCC3CC4C2C(OC4=O)C","FMPNFDSPHNUFOS-VAWYXSNFSA-N",5351501,NA,"PDBC37210","23969","Present",NA,NA
+"37211","Hinokitiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hinokitol",NA,"CC(C)C1=CC(=O)C(=CC=C1)O","FUWUEFKEXZQKKA-UHFFFAOYSA-N",3611,NA,"PDBC37211","18804","Present",NA,NA
+"37212","Hispanolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HISPANOLONE",NA,"CC1C(=O)CC2C(CCCC2(C1(CCC3=COC=C3)O)C)(C)C","UVKYPKNCQJIGKV-PEFDPPPMSA-N",5458747,NA,"PDBC37212","332876","Present",NA,NA
+"37213","Hispidulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dinatin",NA,"COC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O","IHFBPDAQLQOCBX-UHFFFAOYSA-N",5281628,NA,"PDBC37213","122415","Present",NA,NA
+"37214","Histonic compound",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Histonic compound",NA,NA,NA,NA,NA,"PDBC37214","644024","Present",NA,NA
+"37215","Hobartine, 8-oxo-9-dehydro",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hobartine, 8-oxo-9-dehydro",NA,"CC1=CCC2CC1C(=NC2(C)C)C(=O)C3=CNC4=CC=CC=C43","SEFQLMNDSVHUGG-UHFFFAOYSA-N",369152,NA,"PDBC37215","640739","Present",NA,NA
+"37216","Hofmann's Violet",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hofmann's violet",NA,"CCN=C1C=CC(=C(C2=CC=C(C=C2)N)C3=CC(=C(C=C3)N(CC)CC)C)C=C1.Cl","PHWHSHNIIPVVHF-UHFFFAOYSA-N",24181402,NA,"PDBC37216","8672","Present",NA,NA
+"37217","Holotransferrin complexed w/ cis-[Cl2(NH3)4RuIII]Cl, MW=...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Holotransferrin complexed w/ cis-[Cl2(NH3)4RuIII]Cl, MW=...",NA,NA,NA,NA,NA,"PDBC37217","719242","Present",NA,NA
+"37218","Holotransferrin complexed w/(ImH)trans-[(Im)2Cl4RuIII, M...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Holotransferrin complexed w/(ImH)trans-[(Im)2Cl4RuIII, M...",NA,NA,NA,NA,NA,"PDBC37218","719243","Present",NA,NA
+"37219","Homoarbutin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HOMOARBUTIN",NA,"CC1=C(C=CC(=C1)OC2C(C(C(C(O2)CO)O)O)O)O","SUSHDSMGFVANCQ-UHFFFAOYSA-N",324796,NA,"PDBC37219","291302","Present",NA,NA
+"37220","Homofascaplysin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homofascaplysin B",NA,"COC(=O)C(=O)C1=C2C3=C(C=CN2C4=CC=CC=C41)C5=CC=CC=C5N3","JSCOOTAVKPBHTB-UHFFFAOYSA-N",378602,NA,"PDBC37220","661242","Present",NA,NA
+"37221","Homohalichondrin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"homohalichondrin b",NA,"CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(CO)O)C)C)OC9CC(C1=C)O2)C","LMZKVILFCFSDGK-QTBWQIHVSA-N",6711269,NA,"PDBC37221","609394","Present",NA,NA
+"37222","Homohalichondrin B 26-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homohalichondrin B 26-diol",NA,"CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(CO)O)C)C)OC9CC(C1(CO)O)O2)C","ACHMYBPPMAJJMF-QJKUACSYSA-N",395624,NA,"PDBC37222","700373","Present",NA,NA
+"37223","Homohalichondrin B aldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homohalichondrin B aldehyde",NA,"CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C=O)C)C)OC9CC(C1=C)O2)C","UKNLMCCEHUGESB-RJJJCZGFSA-N",395622,NA,"PDBC37223","700371","Present",NA,NA
+"37224","Homohalichondrin B diacetate 19,26-diketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homohalichondrin B diacetate 19,26-diketone",NA,"CC1CC2CCC3C(=O)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(COC(=O)C)OC(=O)C)C)C)OC9CC(C1=O)O2)C","PXGXLFJJAPMXSL-CFJVCZLQSA-N",395620,NA,"PDBC37224","700369","Present",NA,NA
+"37225","Homohalichondrin B diacetate 19,26-tetraol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homohalichondrin B diacetate 19,26-tetraol",NA,"CC1CC2CCC3C(CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(COC(=O)C)OC(=O)C)C)C)OC9CC(C1(CO)O)O2)C)(CO)O","HPTRWVYHIRSIJM-BDVYHGIASA-N",5470371,NA,"PDBC37225","700367","Present",NA,NA
+"37226","Homohalichondrin B diacetate 26-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homohalichondrin B diacetate 26-diol",NA,"CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)C(COC(=O)C)OC(=O)C)C)C)OC9CC(C1(CO)O)O2)C","IXRVFARPMXUFET-ZATZVIQDSA-N",395623,NA,"PDBC37226","700372","Present",NA,NA
+"37227","Homopterocarpin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homopterocarpin",NA,"COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)OC","VPGIGLKLCFOWDN-RHSMWYFYSA-N",364159,NA,"PDBC37227","629831","Present",NA,NA
+"37228","Homovinblastine methanesulfonate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Homovinblastine methanesulfonate salt",NA,"CCC1(CC2CC(C3=C(CCCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.COS(=O)(=O)O","ZTESAYQRCHVTAU-RYQDKXBUSA-N",11970002,NA,"PDBC37228","651726","Present",NA,NA
+"37229","Hookerianamide H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hookerianamide H",NA,"CC(C1CCC2C1(CCC3C2CCC4C3(CC=C(C4=O)NC=O)C)C)N(C)C","BRKREXSOPCTPTI-FKRRDGGOSA-N",54612855,NA,"PDBC37229","748907","Present",NA,NA
+"37230","Hookerianamide I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hookerianamide I",NA,"CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N(C)C(=O)C5=CC=CC=C5)C)C)NC","NISGMKNSSUMSSN-LHUVOZIESA-N",54612856,NA,"PDBC37230","748908","Present",NA,NA
+"37231","Hookerianamide J",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hookerianamide J",NA,"CC(C1=CCC2C1(CCC3C2CCC4C3(CCC(C4O)NC(=O)C=C(C)C)C)C)N(C)C","UBWMSSICUOCSHT-GRLQZXGISA-N",54612853,NA,"PDBC37231","748905","Present",NA,NA
+"37232","Hookerianamide K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hookerianamide K",NA,"CC(C1CC=C2C1(CCC3C2CCC4=CC(CCC34C)N(C)C)C)N(C)C","JLDLXPZTQHZTBT-GRCPVTBZSA-N",54612854,NA,"PDBC37232","748906","Present",NA,NA
+"37233","Horminon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HORMINON",NA,"CC(C)C1=C(C2=C(C(=O)C1=O)C3(CCCC(C3CC2O)(C)C)C)O","WAZYPYJGZYLHHT-UHFFFAOYSA-N",99965,NA,"PDBC37233","294577","Present",NA,NA
+"37234","Hortiacine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hortiacine",NA,"COC1=CC2=C(C=C1)NC3=C2CCN4C3=NC5=CC=CC=C5C4=O","JNHSRGXMKPJTEV-UHFFFAOYSA-N",378227,NA,"PDBC37234","660030","Present",NA,NA
+"37235","Hurgadol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hurgadol",NA,"CC1(C(CCC(=C)C12CCC(C(C2)Cl)(C)O)Br)C","GUFLNPTXIUFEGF-DGLGBPBLSA-N",5459201,NA,"PDBC37235","643815","Present",NA,NA
+"37236","Hyatine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hyatine hydrochloride",NA,NA,NA,NA,NA,"PDBC37236","101212","Present",NA,NA
+"37237","Hycanthone methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hycanthone methanesulfonate",NA,"CCN(CC)CCNC1=C2C(=C(C=C1)CO)SC3=CC=CC=C3C2=O.CS(=O)(=O)O","LOEQGPPJCCUXEJ-UHFFFAOYSA-N",285666,NA,"PDBC37237","142982","Present",NA,NA
+"37238","Hydantoin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydantoin",NA,"C1C(=O)NC(=O)N1","WJRBRSLFGCUECM-UHFFFAOYSA-N",10006,NA,"PDBC37238","9226","Present",NA,NA
+"37239","Hydantoin, 1-((5-(p-fluorophenyl)-2-furanyl)methyleneamino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[[5-(p-fluorophenyl)-2-furanyl]methyleneamino]hydantoin",NA,"C1C(=O)NC(=O)N1N=CC2=CC=C(O2)C3=CC=C(C=C3)F","HPRIXHPEHLVITL-FRKPEAEDSA-N",9568687,NA,"PDBC37239","305530","Present",NA,NA
+"37240","Hydantoin, 3-allyl-2-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-allylthiohydantoin",NA,"C=CCN1C(=O)CNC1=S","UVUYSPTYWQXNLX-UHFFFAOYSA-N",3032418,NA,"PDBC37240","703018","Present",NA,NA
+"37241","Hydramethylnon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydramethylnon",NA,"CC1(CNC(=NC1)NN=C(C=CC2=CC=C(C=C2)C(F)(F)F)C=CC3=CC=C(C=C3)C(F)(F)F)C","IQVNEKKDSLOHHK-FNCQTZNRSA-N",5281875,NA,"PDBC37241","379665","Present",NA,NA
+"37242","Hydramycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydramycin",NA,"CC1=CC2=C(C3=C1C(=O)C=C(O3)C(CO)(C4CO4)O)C(=O)C5=C(C2=O)C=CC=C5O","WZNWUDKIQDIRSR-UHFFFAOYSA-N",373075,NA,"PDBC37242","648910","Present",NA,NA
+"37243","Hydrangenoside C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrangenoside C",NA,"COC(=O)C1=COC(C(C1CC2CC(=O)CC(O2)CCC3=CC=C(C=C3)O)C=C)OC4C(C(C(C(O4)CO)O)O)O","GGNFGJZLCXTJLH-UHFFFAOYSA-N",434884,NA,"PDBC37243","360034","Present",NA,NA
+"37244","Hydrastine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrastine sulfate",NA,"CN1CCC2=CC3=C(C=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OCO3.OS(=O)(=O)O","OWOIEGWFRSGEGR-VOMIJIAVSA-N",234445,NA,"PDBC37244","34404","Present",NA,NA
+"37245","Hydrastinine Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755892///NSC93766",NA,"CN1CCC2=CC3=C(C=C2C1O)OCO3.Cl","DLNQCQJCIITVHC-UHFFFAOYSA-N",71833,NA,"PDBC37245","755892///93766","Present",NA,NA
+"37246","Hydrazine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HYDRAZINE SULFATE",NA,"NN.OS(=O)(=O)O","ZGCHATBSUIJLRL-UHFFFAOYSA-N",24842,NA,"PDBC37246","150014","Present",NA,NA
+"37247","Hydrazine, 1-(1H-benzimidazol-2-yl)-2-[1-(2-pyrimidinyl)ethylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1-(2-pyrimidinyl)-,1H-benzimidazol-2-ylhydrazone",NA,"CC(=NNC1=NC2=CC=CC=C2N1)C3=NC=CC=N3","VSDYZTJZLHXDBY-GIJQJNRQSA-N",6176063,NA,"PDBC37247","703106","Present",NA,NA
+"37248","Hydrazinecarboimidamide,2'-(2,8-dibenzofurandiyldiethylidyne)bis(N-methyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarboimidamide, 2,2'-(2,8-dibenzofurandiyldieth...",NA,"CC(=NNC(=NC)N)C1=CC2=C(C=C1)OC3=C2C=C(C=C3)C(=NNC(=NC)N)C.Cl","IAZNZJUNBYYLHV-UVIWNNOESA-N",54601621,NA,"PDBC37248","327929","Present",NA,NA
+"37249","Hydrazinecarbothioamide, 2-(1-isoquinolinylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isoquinaldaldehyde, thiosemicarbazone",NA,"C1=CC=C2C(=C1)C=CN=C2C=NNC(=S)N","FQWITMQQUMTMRE-VGOFMYFVSA-N",5383288,NA,"PDBC37249","92188","Present",NA,NA
+"37250","Hydrazinecarbothioamide, 2-(2-pyridinylmethylene)-N-(2-pyridinyl)methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-(2-pyridinylmethylene)-N-(2-p...",NA,"C1=CC=NC(=C1)CNC(=S)NN=CC2=CC=CC=N2","BTFYMPJMYCNLRM-LICLKQGHSA-N",9571903,NA,"PDBC37250","670778","Present",NA,NA
+"37251","Hydrazinecarbothioamide, 2-[[3-(methylamino)-2-pyridinyl]methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-[[3-(methylamino)-2-pyridinyl...",NA,"CNC1=C(N=CC=C1)C=NNC(=S)N","PRSZSMVFSUELRT-LFYBBSHMSA-N",9555629,NA,"PDBC37251","266748","Present",NA,NA
+"37252","Hydrazinecarbothioamide, 2-[[5-(1-oxopropoxy)-2-pyridinyl]methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-[[5-(1-oxopropoxy)-2-pyridiny...",NA,"CCC(=O)OC1=CN=C(C=C1)C=NNC(=S)N","OYUAXYHBKMCVFP-WLRTZDKTSA-N",9556312,NA,"PDBC37252","185049","Present",NA,NA
+"37253","Hydrazinecarbothioamide, 2-[[5-(acetyloxy)-2-pyridinyl]methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-[[5-(acetyloxy)-2-pyridinyl]m...",NA,"CC(=O)OC1=CN=C(C=C1)C=NNC(=S)N","NXYPCAZJCPMVNA-UUILKARUSA-N",9555726,NA,"PDBC37253","144055","Present",NA,NA
+"37254","Hydrazinecarbothioamide, N,N-diethyl-2-[1-(6-methyl-2-pyridinyl)ethylidene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, N,N-diethyl-2-[1-(6-methyl- 2-p...",NA,"CCN(CC)C(=S)NN=C(C)C1=CC=CC(=N1)C","GHPKSEZQVVOUAE-RVDMUPIBSA-N",9554740,NA,"PDBC37254","673829","Present",NA,NA
+"37255","Hydrazinecarbothioamide, N-2-pyridinyl-2-(2-pyridinylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, N-2-pyridinyl-2-(2-pyridinylmet...",NA,"C1=CC=NC(=C1)C=NNC(=S)NC2=CC=CC=N2","WAMAMGLRPFVEBR-OQLLNIDSSA-N",9555487,NA,"PDBC37255","185062","Present",NA,NA
+"37256","Hydrazinecarbothioamide, N-methyl-2-[(5-nitro-2-thienyl)methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, N-methyl-2-[(5-nitro-2-thienyl)...",NA,"CNC(=S)NN=CC1=CC=C(S1)[N+](=O)[O-]","QFRFYLOPDGWXPF-RUDMXATFSA-N",5351249,NA,"PDBC37256","169543","Present",NA,NA
+"37257","Hydrazinecarbothioamide, dihydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, N-[4-(diethylamino)-1-methylbut...",NA,"CCN(CC)CCCC(C)NC(=S)NN=C(C)C1=CC=CC=N1.Br","GCQUORUMMZFMFS-QMGGKDRNSA-N",54598640,NA,"PDBC37257","296300","Present",NA,NA
+"37258","Hydrazinecarbothioamide,2'-(1,5-dimethyl-1,5-pentanediylidene)bis[N-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2,2'-(1,5-dimethyl-1,5-pentaned...",NA,"CC(=NNC(=S)NC)CCCC(=NNC(=S)NC)C","IBBJVLJKTNANGK-DJJIWSAGSA-N",6175310,NA,"PDBC37258","180198","Present",NA,NA
+"37259","Hydrazinecarbothioamide,N-bis[(2-pyridinyl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689533",NA,"C1=CC=C(C=C1)C(=NNC(=S)N(CC2=CC=CC=N2)CC3=CC=CC=N3)C4=CC=CC=N4","CIUKMZPIIFWZBP-OLFWJLLRSA-N",5466413,NA,"PDBC37259","689533","Present",NA,NA
+"37260","Hydrazinecarbothioamide,N-dihexyl-2-[1-(2-pyridyl)ethylidene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, N,N-dihexyl- 2-[1-(2-pyridyl)et...",NA,"CCCCCCN(CCCCCC)C(=S)NN=C(C)C1=CC=CC=N1","DQXBTMPMUFTBIN-RELWKKBWSA-N",5868935,NA,"PDBC37260","647131","Present",NA,NA
+"37261","Hydrazinecarbothioamide,N-dimethyl-2-[1-(2-pyridinyl)-ethylidene]-, N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, N,N-dimethyl-2-[1-(2-pyridinyl)...",NA,"CC(=C1C=CC=CN1O)N=NC(=S)N(C)C","XIKVPEAAQLDJNN-RIWCBFQCSA-N",44384025,NA,"PDBC37261","351078","Present",NA,NA
+"37262","Hydrazinecarboxamide, 2-(2-(2-(2,6-dioxo-3-piperidinyl)-1-hydroxyethyl)-4,6-dimethylcyclohexylidene)-(9CI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarboxamide, 2-[2-[2-(2,6-dioxo-3-piperidinyl)-...",NA,"CC1CC(C(=NNC(=O)N)C(C1)C(CC2CCC(=O)NC2=O)O)C","GDXCTNPDYIIQKV-RGEXLXHISA-N",9561582,NA,"PDBC37262","63832","Present",NA,NA
+"37263","Hydrazinecarboxamide, N-(1-naphthyl)-2-[(4-nitrophenyl)methylene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarboxamide, N-(1-naphthyl)- 2-[(4-nitrophenyl)...",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","QXENDZJUHJOOLP-UNOMPAQXSA-N",5899598,NA,"PDBC37263","674493","Present",NA,NA
+"37264","Hydrazinecarboximidamide, 2-[(4-bromophenyl)phenylmethyl...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarboximidamide, 2-[(4-bromophenyl)phenylmethyl...",NA,"CN=C(N)NN=C(C1=CC=CC=C1)C2=CC=C(C=C2)Br","SOFUQTGDLLAPQE-XMHGGMMESA-N",54611030,NA,"PDBC37264","320884","Present",NA,NA
+"37265","Hydrazinecarboximidamide,2'-(9H-fluorene-2,7-diyldiethylidyne)bis(N-methyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarboximidamide, 2,2'-(9H-fluorene-2,7-diyldiet...",NA,"CC(=NNC(=NC)N)C1=CC2=C(C=C1)C3=C(C2)C=C(C=C3)C(=NNC(=NC)N)C.Cl","ICBFPMCPVJHLFQ-DKXXZCGGSA-N",54610854,NA,"PDBC37265","304393","Present",NA,NA
+"37266","Hydrazinecarboximidamide,5-dibromo-2-hydroxyphenyl) methylene]-N-hydroxy-, mono(4-methylbenzenesulfonate) (salt)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarboximidamide, 2-[(3,5-dibromo-2-hydroxypheny...",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1C=NN=C(N)NO)O)Br)Br","KXIRYSUGSNQDKG-QXKVDVGOSA-N",135493814,NA,"PDBC37266","371168","Present",NA,NA
+"37267","Hydrazinecarboxylic acid, 2,2'-(2,2,4,4-tetramethyl-1,3-cyclobutanediylidene)bis-, dimethyl ester, (2Z,2'Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[[3-(methoxycarbonylhydrazinylidene)-2,2,4,4-tetramethylcyclobutylidene]amino]carbamate",NA,"CC1(C(=NNC(=O)OC)C(C1=NNC(=O)OC)(C)C)C","NOJBAENFVGZKHO-UHFFFAOYSA-N",369742,NA,"PDBC37267","641835","Present",NA,NA
+"37268","Hydrazinecarboxylic acid,4-dimethoxyphenyl)]ethylidene-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarboxylic acid, 2-[2-hydroxy-1-(3-hydroxy-6-ni...",NA,"COC1=C(C=C(C=C1)C(C(=NNC(=O)OC)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)OC","DZAKCAVQLVTMAU-KQWNVCNZSA-N",135499178,NA,"PDBC37268","642643","Present",NA,NA
+"37269","Hydrazinesulfonic acid, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C.I. 15511",NA,"C1=CC=C2C(=C1)C=CC(=C2N(NC3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","GULZZTSWPAFUIG-UHFFFAOYSA-N",24181491,NA,"PDBC37269","9600","Present",NA,NA
+"37270","Hydrazinium, dimethyl(3,4-dimethoxybenzyl)-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC97882",NA,"C[N+](C)(CC1=CC(=C(C=C1)OC)OC)N.[Cl-]","JCTSSVJSNCTLIT-UHFFFAOYSA-M",59476,NA,"PDBC37270","97882","Present",NA,NA
+"37271","Hydrindantin dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrindantin dihydrate",NA,"C1=CC=C2C(=C1)C(=O)C(C2(O)O)(C3(C(=O)C4=CC=CC=C4C3(O)O)O)O","QHVADKNWNMILPQ-UHFFFAOYSA-N",22232,NA,"PDBC37271","108697","Present",NA,NA
+"37272","Hydroberberubin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroberberubin",NA,"COC1=C(C=CC2=C1CN3CCC4=CC5=C(C=C4C3C2)OCO5)O","TUTLRKKYUXPDGN-UHFFFAOYSA-N",276137,NA,"PDBC37272","123389","Present",NA,NA
+"37273","Hydrocortisone cypionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cortef fluid",NA,"CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC5CCCC5)O)C)O","DLVOSEUFIRPIRM-KAQKJVHQSA-N",223253,NA,"PDBC37273","10721","Present",NA,NA
+"37274","Hydrodestruxin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrodestruxin E",NA,"CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(CO)O)C)C)C(C)C)C","DJYDCIUMNXZSBH-WKUMDAGRSA-N",370711,NA,"PDBC37274","644212","Present",NA,NA
+"37275","Hydrofluoric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydrofluoric acid",NA,"F","KRHYYFGTRYWZRS-UHFFFAOYSA-N",14917,NA,"PDBC37275","750679","Present",NA,NA
+"37276","Hydrogeldanamycin-18,21-diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydrogeldanamycin-18,21-diacetate",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=C(C(=C2OC(=O)C)C1)OC)OC(=O)C)C)OC)OC(=O)N)C)C)O)OC","SMJLJYSWSZSYCN-QIDZHBFPSA-N",5358471,NA,"PDBC37276","255108","Present",NA,NA
+"37277","Hydrogen sulfate;4-phenyldithiol-2-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrogen sulfate;4-phenyldithiol-2-ium",NA,"C1=CC=C(C=C1)C2=CS[S+]=C2.OS(=O)(=O)[O-]","DJAIWBPUYKCTQU-UHFFFAOYSA-M",399434,NA,"PDBC37277","710273","Present",NA,NA
+"37278","Hydrogen sulfite;pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrogen sulfite;pyridine",NA,"C1=CC=NC=C1.OS(=O)[O-]","IKURQZGIWRHWRE-UHFFFAOYSA-M",6711347,NA,"PDBC37278","620575","Present",NA,NA
+"37279","Hydrouracil, 5-bromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-5-fluoro-6-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydrouracil, 5-bromo-1-(2-deoxy-.beta.-d-erythro-pentofu...",NA,"COC1C(C(=O)NC(=O)N1C2CC(C(O2)CO)O)(F)Br","JXBABPBZPSKYSI-UHFFFAOYSA-N",255402,NA,"PDBC37279","80870","Present",NA,NA
+"37280","Hydroxobis[5-(phenylsulfonic acid)azotropolonato]bismuth...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxobis[5-(phenylsulfonic acid)azotropolonato]bismuth...",NA,NA,NA,NA,NA,"PDBC37280","635902","Present",NA,NA
+"37281","Hydroxy AT 125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxy AT 125",NA,"C1(C(ON=C1Cl)C(C(=O)O)N)O","KUYDILDQEMQBKJ-ZVHKOUPVSA-N",5351254,NA,"PDBC37281","176324","Present",NA,NA
+"37282","Hydroxy pyrazolines",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxy pyrazolines",NA,"COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)COC4=CC=C(C=C4)Cl)OC","TUKFWQHOBDWCLJ-UHFFFAOYSA-N",16111793,NA,"PDBC37282","742096","Present",NA,NA
+"37283","Hydroxy(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxy(((2,2,5,5-tetramethylcyclopentyl)carbonyl)amino)acetic acid",NA,"CC1(CCC(C1C(=O)NC(C(=O)O)O)(C)C)C","CQOJIXXJTWIFET-UHFFFAOYSA-N",383825,NA,"PDBC37283","672442","Present",NA,NA
+"37284","Hydroxy(1,2,3,4,4-pentachloro-3-butenyl)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1,2,3,4-Pentachloro-4-nitrobut-1-ene",NA,"C(C([N+](=O)[O-])Cl)(C(=C(Cl)Cl)Cl)Cl","JWWMPZYGOIZMQH-UHFFFAOYSA-N",379885,NA,"PDBC37284","665077","Present",NA,NA
+"37285","Hydroxy(2,3,3-trichloro-1-(1,3-oxathiolan-2-ylidene)-2-propenyl)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxy(2,3,3-trichloro-1-(1,3-oxathiolan-2-ylidene)-2-propenyl)azane oxide",NA,"C1CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])O1","PGVJTTMMWVCGGG-XQRVVYSFSA-N",3004957,NA,"PDBC37285","665109","Present",NA,NA
+"37286","Hydroxy(2,3,3-trichloro-1-(dianilinomethylene)-2-propenyl)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxy(2,3,3-trichloro-1-(dianilinomethylene)-2-propenyl)azane oxide",NA,"C1=CC=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC=C2","IJURCJWRCXZRLF-UHFFFAOYSA-N",379889,NA,"PDBC37286","665081","Present",NA,NA
+"37287","Hydroxy(3-(4-(hydroxy(oxido)amino)-2-(3-(hydroxy(oxido)amino)phenyl)-5-((phenylimino)methyl)-3-furyl)phenyl)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[3-Nitro-4,5-bis(3-nitrophenyl)-2-furyl]-N-phenyl-methanimine",NA,"C1=CC=C(C=C1)N=CC2=C(C(=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]","PWDOPJADXPHLAH-UHFFFAOYSA-N",369748,NA,"PDBC37287","641839","Present",NA,NA
+"37288","Hydroxy(4-((phenylthio)amino)phenyl)azane oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-nitrobenzenesulfenylanilide",NA,"C1=CC=C(C=C1)SNC2=CC=C(C=C2)[N+](=O)[O-]","ZWORRJVNOUBPPJ-UHFFFAOYSA-N",375386,NA,"PDBC37288","655058","Present",NA,NA
+"37289","Hydroxy(bis(4-isopropylphenyl))acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"di(p-cumenyl)glycolic acid",NA,"CC(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)C)(C(=O)O)O","WFNUWRHILYVJAG-UHFFFAOYSA-N",275166,NA,"PDBC37289","121818","Present",NA,NA
+"37290","Hydroxy-2-naphthalenylmethylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxy-2-naphthalenylmethylphosphonic acid",NA,NA,NA,NA,NA,NA,"PDBC37290",NA,"Absent",NA,NA
+"37291","Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]cobalt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]cobalt",NA,NA,NA,NA,NA,"PDBC37291","638276","Present",NA,NA
+"37292","Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]nickel",NA,NA,NA,NA,NA,"PDBC37292","638278","Present",NA,NA
+"37293","Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]zinc",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxy-[2-methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]zinc",NA,NA,NA,NA,NA,"PDBC37293","638281","Present",NA,NA
+"37294","Hydroxy[4-(2,2-dicarbamoylethenyl)phenyl]methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{[4-(3-Amino-2-carbamoyl-3-oxoprop-1-en-1-yl)phenyl](hydroxy)methyl}phosphonic acid",NA,"C1=CC(=CC=C1C=C(C(=O)N)C(=O)N)C(O)P(=O)(O)O","BLUJIWANNYDSRQ-UHFFFAOYSA-N",364979,NA,"PDBC37294","631881","Present",NA,NA
+"37295","Hydroxy[4-(2-carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxy[4-(2-carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid",NA,"C1=CC(=CC=C1C=C(C#N)C(=O)N)C(O)P(=O)(O)O","SMADCEBBMDVFEP-WEVVVXLNSA-N",5388097,NA,"PDBC37295","631880","Present",NA,NA
+"37296","Hydroxy[4-(2-carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid di-tert-butyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-[4-[Bis[(2-methylpropan-2-yl)oxy]phosphoryl-hydroxymethyl]phenyl]-2-cyanoprop-2-enamide",NA,"CC(C)(C)OP(=O)(C(C1=CC=C(C=C1)C=C(C#N)C(=O)N)O)OC(C)(C)C","KSQOVUNSTXWVOS-RVDMUPIBSA-N",5388683,NA,"PDBC37296","638085","Present",NA,NA
+"37297","Hydroxyaspergillic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aspergillic acid, hydroxy",NA,"CCC(C)(C1=CN=C(C(=O)N1O)CC(C)C)O","ARNQMQXMJRUMRP-UHFFFAOYSA-N",73679,NA,"PDBC37297","127445","Present",NA,NA
+"37298","Hydroxybenzoestra-1,5(10),16-tetraen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxybenzoestra-1,3,5(10),16-tetraen-3-ol",NA,"CC12CCC3C(C1CC4=C2C=C(C=C4)O)CCC5=C3C=CC(=C5)O","JPCPTBJRYDEFGW-MAWFMLJDSA-N",24205962,NA,"PDBC37298","737524","Present",NA,NA
+"37299","Hydroxyhopane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxyhopane",NA,"CC1(CCCC2(C1CCC3(C2CCC4C3(CCC5C4(CCC5C(C)(C)O)C)C)C)C)C","PNJBOAVCVAVRGR-KSSFRSRDSA-N",397488,NA,"PDBC37299","705538","Present",NA,NA
+"37300","Hydroxyphenylazouracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(p-Hydroxyphenylazo)uracil",NA,"C1=CC(=CC=C1N=NC2=CC(=O)NC(=O)N2)O","WFCXSZSLXQJFDD-UHFFFAOYSA-N",34444,NA,"PDBC37300","194250","Present",NA,NA
+"37301","Hydroxypristimerin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxypristimerin",NA,"CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(C(C5)O)(C)C(=O)OC)C)C)C)C)O","HDIIUCVOZICRAQ-UHFFFAOYSA-N",320914,NA,"PDBC37301","270057","Present",NA,NA
+"37302","Hydroxyproline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxyproline",NA,"C1C(CNC1C(=O)O)O","PMMYEEVYMWASQN-DMTCNVIQSA-N",5810,NA,"PDBC37302","46704","Present",NA,NA
+"37303","Hygrophylline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hygrophylline",NA,"CC=C1C(C(C(C(=O)OCC2CCN3C2C(CC3)OC1=O)(C)O)C)O","FAFYHPIEFKLDSP-QCDXTXTGSA-N",6449975,NA,"PDBC37303","129152","Present",NA,NA
+"37304","Hymenolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hymenolide",NA,"CCOC1C2(CC3C(CC(C2CC(O1)O)C)OC(=O)C3=C)C","UIFSGDQXHQSWGC-UHFFFAOYSA-N",282785,NA,"PDBC37304","136720","Present",NA,NA
+"37305","Hymenoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hymenoxin",NA,"COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC","QCOSAYZZNVASNN-UHFFFAOYSA-N",171488,NA,"PDBC37305","655980","Present",NA,NA
+"37306","Hymenoxynin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hymenoxynin",NA,"CC1CC2C(CC3(C1CCOC3OC4C(C(C(C(O4)CO)O)O)O)C)C(C(=O)O2)C","CLKCCQOMLNZYFZ-UHFFFAOYSA-N",282786,NA,"PDBC37306","136721","Present",NA,NA
+"37307","Hymexazol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hymexazol",NA,"CC1=CC(=O)NO1","KGVPNLBXJKTABS-UHFFFAOYSA-N",24781,NA,"PDBC37307","217971","Present",NA,NA
+"37308","Hyocholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hyocholic acid",NA,"CC(CCC(=O)O)C1CCC2C1(CCC3C2C(C(C4C3(CCC(C4)O)C)O)O)C","DKPMWHFRUGMUKF-YBESUZSRSA-N",376830,NA,"PDBC37308","657948","Present",NA,NA
+"37309","Hypoglaucin F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hypoglaucin F",NA,"CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(CO)COC9C(C(C(C(O9)CO)O)O)O)O","LZLSKJDKROEGTA-VNWQZGEJSA-N",6712589,NA,"PDBC37309","698794","Present",NA,NA
+"37310","Hypoglaucin G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hypoglaucin G",NA,"CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)C)O)O)O)OC4CCC5(C6CCC7(C(C6CC=C5C4)CC(C7C(=O)C)OC(=O)CCC(C)COC8C(C(C(C(O8)CO)O)O)O)C)C)CO)O)O)O","OJBSJPFDQZUALV-AJUKOJNSSA-N",6712590,NA,"PDBC37310","698795","Present",NA,NA
+"37311","Hypophyllanthin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hypophyllanthin",NA,"COCC1CC2=CC(=C3C(=C2C(C1COC)C4=CC(=C(C=C4)OC)OC)OCO3)OC","LBJCUHLNHSKZBW-DSSITSQDSA-N",358902,NA,"PDBC37311","619044","Present",NA,NA
+"37312","Hypopistephanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hypopistephanine",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6=NCCC7=CC(=C(C(=C76)O3)OC)OC)C=C5)OC","FKHCVUFZOFEROS-MUUNZHRXSA-N",6711179,NA,"PDBC37312","135070","Present",NA,NA
+"37313","Hyrcanoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hyrcanoside",NA,"CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5=CC(CCC35C=O)OC6C(C(C(CO6)OC7C(C(C(C(O7)CO)O)O)O)O)O","HFXNSSUZFCOFIY-JJRUEEJWSA-N",318696,NA,"PDBC37313","256926","Present",NA,NA
+"37314","IACS-10759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IACS-10759",NA,"CC1=NC(=NN1CC2=CC(=CC=C2)N3CCC(CC3)S(=O)(=O)C)C4=NC(=NO4)C5=CC=C(C=C5)OC(F)(F)F","HWJWNWZJUYCGKV-UHFFFAOYSA-N",86711931,NA,"PDBC37314","809972","Present",NA,NA
+"37315","IACS-8968",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IACS-8968",NA,"CC1(CN(CCC12C(=O)NC(=O)N2)C3=CC(=CC4=CN=CN34)C(F)(F)F)C","UBMTZODMRPHSBC-UHFFFAOYSA-N",132060309,NA,"PDBC37315","811953","Present",NA,NA
+"37316","ICRF 202",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICRF 202",NA,"CCC(C(C)N1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","WEMJBSKVBVVFQG-UHFFFAOYSA-N",311908,NA,"PDBC37316","218457","Present",NA,NA
+"37317","IDAAYIXNILONEM-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDAAYIXNILONEM-UHFFFAOYSA-N",NA,"C1CN(CCN(CCN1)CP(=O)(O)O)CP(=O)(O)O","IDAAYIXNILONEM-UHFFFAOYSA-N",393903,NA,"PDBC37317","696864","Present",NA,NA
+"37318","IDF-11774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDF-11774",NA,"CN1CCN(CC1)C(=O)COC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4","QGBBBLPWBSWERZ-UHFFFAOYSA-N",71542096,NA,"PDBC37318","805596","Present",NA,NA
+"37319","IDH-305",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDH-305",NA,"CC1=CC(=NC=C1C2=CC(=NC=C2)C(F)(F)F)C(C)NC3=NC=CC(=N3)N4C(COC4=O)C(C)F","DCGDPJCUIKLTDU-SUNYJGFJSA-N",90415637,NA,"PDBC37319","812928","Present",NA,NA
+"37320","IDH-C227",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDH-C227",NA,"CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CNC4=CC=C(C=C4)C#N","AATMNHPDEZNXEK-UHFFFAOYSA-N",56645961,NA,"PDBC37320","772564","Present",NA,NA
+"37321","IDH1-Comp 301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDH1-Comp 301",NA,"CC1=CC=CC=C1C(C(=O)NC2CCCCC2)N(C3=CC(=CC=C3)F)C(=O)CNC4=C(C=CC=N4)F","WKLCHSFNIRRXPK-UHFFFAOYSA-N",56646566,NA,"PDBC37321","768539","Present",NA,NA
+"37322","IDI1_014313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDI1_014313",NA,"CC(=C1CCOC1=O)NC2=CC=C(C=C2)F","TWEZLQROPIJJDQ-DHZHZOJOSA-N",2815996,NA,"PDBC37322","680782","Present",NA,NA
+"37323","IDI1_016744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDI1_016744",NA,"CC1C(N(C(CC1=NO)C2=CC=CC=C2)C)C3=CC=CC=C3","WRZFUOOSXMQGBT-JZJYNLBNSA-N",5722064,NA,"PDBC37323","363769","Present",NA,NA
+"37324","IDI1_020241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDI1_020241",NA,"CN(C)C1=CC=C(C=C1)C=C(C#N)C(=C(C#N)C#N)N","QUMMZKVVUJLANA-KPKJPENVSA-N",5866373,NA,"PDBC37324","659124","Present",NA,NA
+"37325","IDI1_026515",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDI1_026515",NA,"COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)SC","KVPDHBLADVOVQH-YFHOEESVSA-N",135484994,NA,"PDBC37325","684331","Present",NA,NA
+"37326","IFLab1_000359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_000359",NA,"CC1=NC(=CS1)C2=CC3=C(C=CC(=C3)OC)OC2=O","LIAJMGUHCYPMTB-UHFFFAOYSA-N",389236,NA,"PDBC37326","684989","Present",NA,NA
+"37327","IFLab1_000509",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_000509",NA,"C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)S(=O)(=O)N)C(=O)N2","FXNKQWYBLXKGFU-UHFFFAOYSA-N",135411929,NA,"PDBC37327","133074","Present",NA,NA
+"37328","IFLab1_000623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_000623",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)NC4=CC=C(C=C4)F","WUXCRRLYEAAGNH-UHFFFAOYSA-N",395984,NA,"PDBC37328","701108","Present",NA,NA
+"37329","IFLab1_000850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_000850",NA,"C1=CC=C2C(=C1)C=C(C(=N)O2)C3=NC4=CC=CC=C4C(=O)N3","IOHWHJVTNWBILZ-UHFFFAOYSA-N",135449176,NA,"PDBC37329","684974","Present",NA,NA
+"37330","IFLab1_001289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_001289",NA,"C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)O)COC3=CC=CC=C3","YPYYQRMPSLYSNZ-UHFFFAOYSA-N",373871,NA,"PDBC37330","650834","Present",NA,NA
+"37331","IFLab1_004430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_004430",NA,"C1CN(CCN1CC2=CNC3=CC=CC=C32)C4=NC=CC=N4","GKKBEFXMNBECNL-UHFFFAOYSA-N",401019,NA,"PDBC37331","713724","Present",NA,NA
+"37332","IFLab1_004437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_004437",NA,"COC1=CC=C(C=C1)N=C2C(=CC3=CC=CC=C3O2)C(=O)N","HNLCSIFQKRXZRU-UHFFFAOYSA-N",395973,NA,"PDBC37332","701097","Present",NA,NA
+"37333","IFLab1_005102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_005102",NA,"CC1=C(C=C(C=C1)NC(=O)CC2C(=O)N=C(S2)N)C","OEBCIEVXOKKWFD-UHFFFAOYSA-N",360696,NA,"PDBC37333","623032","Present",NA,NA
+"37334","IFN-1 Inducer C3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(diethylamino)ethyl]indeno[1,2,3-de]phthalazin-3(2H...",NA,"CCN(CC)CCN1C(=O)C2=C3C(=CC=C2)C4=CC=CC=C4C3=N1","XNRPWZMOVUAHLY-UHFFFAOYSA-N",2052803,NA,"PDBC37334","782149","Present",NA,NA
+"37335","IGMYVWWOMXTEHQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IGMYVWWOMXTEHQ-UHFFFAOYSA-N",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F","IGMYVWWOMXTEHQ-UHFFFAOYSA-N",384771,NA,"PDBC37335","675207","Present",NA,NA
+"37336","IH1L3XQE7W",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IH1L3XQE7W",NA,"CC1=C(C2=C(N1C)C3=CC=CC=C3N=N2)C(=O)C","LMLWGKUBBGQXPP-UHFFFAOYSA-N",339250,NA,"PDBC37336","365081","Present",NA,NA
+"37337","IHF9400U6R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IHF9400U6R",NA,"CCOC(=O)C1=C(C(=O)C2=C(C1=O)OC=C2)O","SXWXRCPGUHMLLI-UHFFFAOYSA-N",54686232,NA,"PDBC37337","651210","Present",NA,NA
+"37338","IHJNIXUYERUSID-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IHJNIXUYERUSID-UHFFFAOYSA-N",NA,"CC1=NNC(=S)N(C1=S)C","IHJNIXUYERUSID-UHFFFAOYSA-N",3312751,NA,"PDBC37338","58614","Present",NA,NA
+"37339","IJMFPLCNJHBGRO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IJMFPLCNJHBGRO-UHFFFAOYSA-N",NA,"COC1=NC2=C(N=C1NCC3=CC=CC=C3)N=C(N=C2N4CCCC4)N5CCNCC5","IJMFPLCNJHBGRO-UHFFFAOYSA-N",403201,NA,"PDBC37339","717856","Present",NA,NA
+"37340","IKK-3 Inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK319347A",NA,"COC1=C(C=C2C(=C1)N=CN2C3=CC(=C(S3)C#N)OCC4=CC=CC=C4S(=O)(=O)C)OC","LDTAHRLHGHFHKP-UHFFFAOYSA-N",11626927,NA,"PDBC37340","756172","Present",NA,NA
+"37341","IL2-PE40",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IL2-PE40",NA,NA,NA,NA,NA,"PDBC37341","623434","Present",NA,NA
+"37342","IL4(38-37)-PE38 toxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IL4(38-37)-PE38 toxin",NA,NA,NA,NA,NA,"PDBC37342","677088","Present",NA,NA
+"37343","IL4(38-37)-PE38KDEL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IL4(38-37)-PE38KDEL",NA,NA,NA,NA,NA,"PDBC37343","673267","Present",NA,NA
+"37344","IL6-PE40",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IL6-PE40",NA,NA,NA,NA,NA,"PDBC37344","623435","Present",NA,NA
+"37345","ILIMAQUINONE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ILIMAQUINONE",NA,"CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2(C)C)C","ZMWPUCGPHZVIMQ-UHFFFAOYSA-N",329293,NA,"PDBC37345","311040","Present",NA,NA
+"37346","IMJKFJZKKOFDFI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IMJKFJZKKOFDFI-UHFFFAOYSA-N",NA,"C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)I)N","IMJKFJZKKOFDFI-UHFFFAOYSA-N",399249,NA,"PDBC37346","709926","Present",NA,NA
+"37347","IMKHPTXYFMGMDE-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IMKHPTXYFMGMDE-UHFFFAOYSA-N",NA,"C1=CC(=CC=C1C=C2C(=C(C(=C2Cl)Cl)Cl)Cl)[N+](=O)[O-]","IMKHPTXYFMGMDE-UHFFFAOYSA-N",225001,NA,"PDBC37347","14034","Present",NA,NA
+"37348","INCB-047775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"INCB-047775",NA,"CN1C(=C(C=N1)C#N)C2=CC3=C(C=C2)C(=O)N(C3)C(CC4=CC(=CC=C4)F)CN","QXRHOURHCGFDIM-IBGZPJMESA-N",89499684,NA,"PDBC37348","792847","Present",NA,NA
+"37349","INCB-057643",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"INCB-057643",NA,"CC1(C(=O)N(C2=CC(=CC(=C2O1)C3=CN(C(=O)C4=C3C=CN4)C)S(=O)(=O)C)C)C","VZSAMEOETVNDQH-UHFFFAOYSA-N",118467751,NA,"PDBC37349","807398","Present",NA,NA
+"37350","INCB-54329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"INCB-54329",NA,"CC1=C(C(=NO1)C)C2=C3C4=C(C=C2)NC(=O)N4C(CO3)C5=CC=CC=N5","XYLPKCDRAAYATL-OAHLLOKOSA-N",90410660,NA,"PDBC37350","816024","Present",NA,NA
+"37351","IPDPPISLQQOKEV-NTCAYCPXSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IPDPPISLQQOKEV-NTCAYCPXSA-N",NA,"CC(=O)NC1=CC(=NC(=O)C)C2=CC=CC=C2C1=O","IPDPPISLQQOKEV-UHFFFAOYSA-N",231115,NA,"PDBC37351","26697","Present",NA,NA
+"37352","IQF5NPS3ZY",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IQF5NPS3ZY",NA,"C1=CC=C(C=C1)CCCCC2=C(N=C(N=C2N)N)C=O","ZYSUCKDURHLPJA-UHFFFAOYSA-N",309754,NA,"PDBC37352","212183","Present",NA,NA
+"37353","IRQ11YJ3RC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IRQ11YJ3RC",NA,"CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","MXFQAZZHZMQRRV-UHFFFAOYSA-N",334248,NA,"PDBC37353","338644","Present",NA,NA
+"37354","ISARIIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ISARIIN",NA,"CCCCCCCCCC1CC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)C)C)CC(C)C)C(C)C","KIJLRIARMCGDJZ-UHFFFAOYSA-N",421508,NA,"PDBC37354","135015","Present",NA,NA
+"37355","ISODONOL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ISODONOL",NA,"CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C","SDHTXBWLVGWJFT-JICVRJLYSA-N",317640,NA,"PDBC37355","250682","Present",NA,NA
+"37356","ISONICOTINIC ACID, (m-HYDROXYBENZYLIDENE)HYDRAZIDE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acroteben",NA,"C1=CC(=CC(=C1)O)C=NNC(=O)C2=CC=NC=C2","WJVBIMBJLVWPNE-DHDCSXOGSA-N",5367262,NA,"PDBC37356","33761","Present",NA,NA
+"37357","ITRI-260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ITRI-260",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=C5C=CC=CC=C5NC4=O","RVWJTUZNUGTTEB-UHFFFAOYSA-N",136040109,NA,"PDBC37357","761879","Present",NA,NA
+"37358","IVPHCTWPFNQVGS-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IVPHCTWPFNQVGS-UHFFFAOYSA-N",NA,"C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)O","IVPHCTWPFNQVGS-UHFFFAOYSA-N",385226,NA,"PDBC37358","676339","Present",NA,NA
+"37359","Iadademstat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RG-6016",NA,"C1CC(CCC1N)NC2CC2C3=CC=CC=C3","ALHBJBCQLJZYON-PFSRBDOWSA-N",71543365,NA,"PDBC37359","806812","Present",NA,NA
+"37360","Ibotenic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ibotenic acid",NA,"C1=C(ONC1=O)C(C(=O)O)N","IRJCBFDCFXCWGO-UHFFFAOYSA-N",1233,NA,"PDBC37360","204850","Present",NA,NA
+"37361","Ibozol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ibozol",NA,NA,NA,NA,NA,"PDBC37361","290135","Present",NA,NA
+"37362","Ibuprofen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dolgit",NA,"CC(C)CC1=CC=C(C=C1)C(C)C(=O)O","HEFNNWSXXWATRW-UHFFFAOYSA-N",3672,NA,"PDBC37362","256857","Present",NA,NA
+"37363","Idaltim",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cortivazol",NA,"CC1CC2C3C=C(C4=CC5=C(CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)C=NN5C6=CC=CC=C6)C","RKHQGWMMUURILY-UHFFFAOYSA-N",416706,NA,"PDBC37363","80998","Present",NA,NA
+"37364","Idebenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IDEBENONE",NA,"CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCCO","JGPMMRGNQUBGND-UHFFFAOYSA-N",3686,NA,"PDBC37364","759228","Present",NA,NA
+"37365","Ido1-IN-5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-3381916",NA,"CC(C1=CC2=C(C=C1)N(CC2)C(=O)C3CCOCC3)NC(=O)C4=CC=C(C=C4)F","NUBWFWVVKLRSHS-OAHLLOKOSA-N",132209614,NA,"PDBC37365","817042","Present",NA,NA
+"37366","Iejimalide A.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iejimalide A.",NA,"CC1C=CC(=CC(CC=CC(=CCCC(C=CC=CC(C(OC(=O)C=C1)C(=CC=C(C)CNC(=O)C(CO)NC=O)C)C)OC)C)OC)C","FAVMTJDTJCBNEZ-OLPGYQLXSA-N",5473233,NA,"PDBC37366","724579","Present",NA,NA
+"37367","Iejimalide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iejimalide B",NA,"CC1C=CC(=CC(CC=CC(=CCCC(C=CC=CC(C(OC(=O)C(=C1)C)C(=CC=C(C)CNC(=O)C(CO)NC=O)C)C)OC)C)OC)C","YVOFDUHVTLZRBY-BAGQDGEZSA-N",24203378,NA,"PDBC37367","727699","Present",NA,NA
+"37368","IiPrim.HBF4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IiPrim.HBF4",NA,NA,NA,NA,NA,"PDBC37368","664858","Present",NA,NA
+"37369","Ikesweoghpmerw-wsokhjqssa-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IKESWEOGHPMERW-WSOKHJQSSA-",NA,"C1C(C2=C(SC(=C2C1Br)Br)Br)Br","IKESWEOGHPMERW-WSOKHJQSSA-N",396947,NA,"PDBC37369","704128","Present",NA,NA
+"37370","Illimaquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Illimaquinone",NA,"CC1CCC2(C(C1(C)CC3=C(C(=O)C=C(C3=O)OC)O)CCCC2=C)C","JJWITJNSXCXULM-JNOSEJNHSA-N",372514,NA,"PDBC37370","647642","Present",NA,NA
+"37371","Illudin M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"illudin m",NA,"CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)C)O","QVMDIQLUNODCTG-OCCSQVGLSA-N",344199,NA,"PDBC37371","400978","Present",NA,NA
+"37372","Illudin S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"illudin s",NA,"CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)O","DDLLIYKVDWPHJI-RDBSUJKOSA-N",344200,NA,"PDBC37372","400979","Present",NA,NA
+"37373","Illudine M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626370",NA,"CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)C)O","QVMDIQLUNODCTG-UHFFFAOYSA-N",101108,NA,"PDBC37373","626370","Present",NA,NA
+"37374","Illudosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Illudosin",NA,"CC(=C1C(CC1(C)C2CC(CC2O)(C)C)O)C=O","NAUZEYXSLBTBJP-JTBWSRHCSA-N",11970001,NA,"PDBC37374","651436","Present",NA,NA
+"37375","Ilmofosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ilmofosine",NA,"CCCCCCCCCCCCCCCCSCC(COC)COP(=O)([O-])OCC[N+](C)(C)C","ODEDPKNSRBCSDO-UHFFFAOYSA-N",55008,NA,"PDBC37375","601679","Present",NA,NA
+"37376","Ilorasertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABT-348",NA,"C1=CC(=CC(=C1)F)NC(=O)NC2=CC=C(C=C2)C3=CSC4=C3C(=NC=C4C5=CN(N=C5)CCO)N","WPHKIQPVPYJNAX-UHFFFAOYSA-N",46207586,NA,"PDBC37376","765889","Present",NA,NA
+"37377","Imacidin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imacidin C",NA,"CC1C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)O)C)CC2=CN=CN2)C(C)O)NC(=O)C(C)NC(=O)C(CC3=CN=CN3)NC(=O)CCCNC(=O)C(CC(C)C)NC(=O)C(CS(=O)(=O)O)NC(=O)CC(CCCCCCCC(C)C)O","MGLOHMZSHYDHJO-UHFFFAOYSA-N",434769,NA,"PDBC37377","356891","Present",NA,NA
+"37378","Imexon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC313425///NSC714597",NA,"C1C2N1C(=O)N=C2N","BIXBBIPTYBJTRY-UHFFFAOYSA-N",68791,NA,"PDBC37378","313425///714597","Present",NA,NA
+"37379","Imidazo[1, 2,2'-[(1,4-piperazinediyl)bis(iminomethyl-4,1-phenylene)]bis[1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[1,2-a]pyridinium, 2,2'-[(1,4-piperazinediyl)bis(...",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)C=NN4CCN(CC4)N=CC5=CC=C(C=C5)C6=C[N+]7=CC=CC=C7N6C","UUXGYURBDCMEDN-MQMDJENKSA-M",54600618,NA,"PDBC37379","370656","Present",NA,NA
+"37380","Imidazo[1, 2,2'-[(2,4-pyrimidinediyl)bis(hydrazonomethyl-4,1-phenylene)]bis[1-methyl-, dibromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[1,2-a]pyridinium, 2,2'-[(2,4-pyrimidinediyl)bis(...",NA,"C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C=NNC4=NC(=NC=C4)NN=CC5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C.[Br-]","MZINXGYAYHIFQJ-WJZAWYQZSA-M",54611256,NA,"PDBC37380","375166","Present",NA,NA
+"37381","Imidazo[1, 2,2'-[1,4-phenylenebis (carbonylimino-4,1-phenylene)]bis[1-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[1,2-a]pyridinium, 2,2'-[1,4-phenylenebis (carbon...",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C","MPNHGVZJOMAZIH-UHFFFAOYSA-O",24201917,NA,"PDBC37381","603173","Present",NA,NA
+"37382","Imidazo[1, 2-[4-[[(4,5-dihydro-1H-imidazol-2-yl)hydrazono]methyl]phenyl]-, (4,5-dihydro-1H-imidazol-2-yl)hydrazone, dihydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[1,2-a]pyridine-6-carboxaldehyde, 2-[4-[[(4,5-dih...",NA,"C1CN=C(N1)NN=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=NNC5=NCCN5.I","USXOJKBUSVWQDU-NJFKTRIISA-N",54601905,NA,"PDBC37382","375162","Present",NA,NA
+"37383","Imidazo[1, 7-chloro-2-ethyl-2,3-dihydro-, monohydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[1,2-f]phenanthridine, 7-chloro-2-ethyl-2,3-dihyd...",NA,"CCC1CN2C3=C(C=C(C=C3)Cl)C4=CC=CC=C4C2=N1.Br","QQFMWHXFBCKESO-UHFFFAOYSA-N",21144540,NA,"PDBC37383","165967","Present",NA,NA
+"37384","Imidazo[1,2-a]pyridin-2-ylmethyl carbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652563",NA,"C1=CC2=NC(=CN2C=C1)CSC(=N)N.Cl","VUXARIKFPIFJIG-UHFFFAOYSA-N",374591,NA,"PDBC37384","652563","Present",NA,NA
+"37385","Imidazo[1,2-a]pyridin-3-amine, 2-(2-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[1,2-a]pyridin-3-amine, 2-(2-nitrophenyl)-",NA,"C1=CC=C(C(=C1)C2=C(N3C=CC=CC3=N2)N)[N+](=O)[O-]","XMQOVBYZRVZTAQ-UHFFFAOYSA-N",374758,NA,"PDBC37385","653002","Present",NA,NA
+"37386","Imidazo[1,2-a]pyrrolo[2,1-c]pyrazin-6(5H)-one, 2-[3-[(diaminomethyl)amino]propyl]-8,9,10,10a-tetrahydro-5-(phenylmethyl)-, trifluoroacetate (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Benzyl-4-[3-(diaminomethylamino)propyl]-3,6,9-triazatricyclo[7.3.0.02,6]dodeca-2,4-dien-8-one;2,2,2-trifluoroacetic acid",NA,"C1CC2C3=NC(=CN3C(C(=O)N2C1)CC4=CC=CC=C4)CCCNC(N)N.C(=O)(C(F)(F)F)O","AMNFLZQCUTXKPW-UHFFFAOYSA-N",370657,NA,"PDBC37386","644022","Present",NA,NA
+"37387","Imidazo[1,2-f]phenanthridine, 7-bromo-2,3-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[1,2-f]phenanthridine, 7-bromo-2,3-dihydro-",NA,"C1CN2C3=C(C=C(C=C3)Br)C4=CC=CC=C4C2=N1","GGTUYXVFIHQMPI-UHFFFAOYSA-N",286440,NA,"PDBC37387","144619","Present",NA,NA
+"37388","Imidazo[1,2-f]phenanthridine, 7-chloro-2,3-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[1,2-f]phenanthridine, 7-chloro-2,3-dihydro-",NA,"C1CN2C3=C(C=C(C=C3)Cl)C4=CC=CC=C4C2=N1","KMDWKSYBWOTXEV-UHFFFAOYSA-N",285027,NA,"PDBC37388","141591","Present",NA,NA
+"37389","Imidazo[1,3,5-triazine-4(6H)-thione, 2-(ethylthio)-7,8-dihydro-8-methyl-, monohydriodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[1,2-A]-1,3,5-triazine-4(6H)-thione, 2-(ethylthio...",NA,"CCSC1=NC(=S)N2CCN(C2=N1)C.I","HAFNGYZNLGGWFH-UHFFFAOYSA-N",367856,NA,"PDBC37389","638022","Present",NA,NA
+"37390","Imidazo[2, 6,6'-[1,4-phenylenebis(carbonyl-2-hydrazinyl-1-ylidenemethylidyne-4,1-phenylene)] bis[7-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[2,1-b]thiazolium, 6,6'-[1,4-phenylenebis(carbony...",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2N(C=CS2)C=C1C3=CC=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)C(=O)NN=CC5=CC=C(C=C5)C6=CN7C=CSC7=[N+]6C","POGXQVFHNCHAKS-HFKCXBGZSA-O",54601080,NA,"PDBC37390","380478","Present",NA,NA
+"37391","Imidazo[2, 6,6'-[1,4-piperazinediylbis(nitrilomethylidyne-4,1-phenylene)]bis[7-methyl-, salt with 4-methylbenzenesulfonic acid (1:2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[2,1-b]thiazolium, 6,6'-[1,4-piperazinediylbis(ni...",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C(=C[N+]2=C1SC=C2)C3=CC=C(C=C3)C=NN4CCN(CC4)N=CC5=CC=C(C=C5)C6=C[N+]7=C(N6C)SC=C7","CDPWGVCQQSRXAC-PSJIBMFASA-M",54608632,NA,"PDBC37391","365174","Present",NA,NA
+"37392","Imidazo[2,1-b][1,3,5]benzothiadiazepin-5(6H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[2,1-b][1,3,5]benzothiadiazepin-5(6H)-imine",NA,"C1=CC=C2C(=C1)N=C(N3C=CN=C3S2)N","XSJGFYNJTNVSGI-UHFFFAOYSA-N",383199,NA,"PDBC37392","671317","Present",NA,NA
+"37393","Imidazo[2,1-b]naphtho[1,2-d][1,3]thiazole-9,10-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[2,1-b]naphtho[1,2-d][1,3]thiazole-9,10-dione",NA,"C1=CC=C2C(=C1)C=CC3=C2N4C(=O)C(=O)N=C4S3","VKEGMUAOYDGTAA-UHFFFAOYSA-N",364992,NA,"PDBC37393","631901","Present",NA,NA
+"37394","Imidazo[2,1-b]thiazole-5-carboxamide, N-[[(4-chlorophenyl)amino]carbonyl]-6-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[2,1-b]thiazole-5-carboxamide, N-[[(4-chlorophenyl)amino]carbonyl]-6-methyl-",NA,"CC1=C(N2C=CSC2=N1)C(=O)NC(=O)NC3=CC=C(C=C3)Cl","FWIOGAPTLUEGGG-UHFFFAOYSA-N",365522,NA,"PDBC37394","633210","Present",NA,NA
+"37395","Imidazo[2,1-b]thiazole-5-carboxamide,N-[(4-chlorophenyl)-aminocarbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazo[2,1-b]thiazole-5-carboxamide, N-[(4-chlorophenyl...",NA,"C1=CC(=CC=C1NC(=O)NC(=O)C2=C(N=C3N2C=CS3)Cl)Cl","CQGMCYMCGKVWNT-UHFFFAOYSA-N",365521,NA,"PDBC37395","633209","Present",NA,NA
+"37396","Imidazol-1-yl-[(1R,2R,5S,8R,9R,10R,13R,14R,20R)-1,2,14,19,19-pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosan-5-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Deoxy-3-homo-3-azalup-20(29)-en-28-imidazolide-28-oic ...",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C)C(=O)N6C=CN=C6","UOIXZWOPPNULIV-RUGINJLXSA-N",155816347,NA,"PDBC37396","792898","Present",NA,NA
+"37397","Imidazole ketone erastin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazole ketone erastin",NA,"CC(C)OC1=C(C=C(C=C1)C(=O)CN2C=CN=C2)N3C(=NC4=CC=CC=C4C3=O)CN5CCN(CC5)C(=O)COC6=CC=C(C=C6)Cl","PSPXJPWGVFNGQI-UHFFFAOYSA-N",91824786,NA,"PDBC37397","819610","Present",NA,NA
+"37398","Imidazole, 1-(4-chlorophenyl)-4-(4-nitrophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazole, 1-(4-chlorophenyl)-4-(4-nitrophenyl)-",NA,"C1=CC(=CC=C1C2=CN(C=N2)C3=CC=C(C=C3)Cl)[N+](=O)[O-]","QTTWMQTWLLSYCK-UHFFFAOYSA-N",355940,NA,"PDBC37398","610744","Present",NA,NA
+"37399","Imidazole-4-carboxamide, 5-(3-butyl-3-methyl-1-triazeno)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazole-4-carboxamide, 5-(3-butyl-3-methyl-1-triazeno)- (8CI)",NA,"CCCCN(C)N=NC1=C(NC=N1)C(=O)N","MNYIKAMATCANTQ-BUHFOSPRSA-N",135460287,NA,"PDBC37399","70874","Present",NA,NA
+"37400","Imidazole-4-carboxamide, 5-(3-cyclohexyl)-3-methyl-1-triazeno)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazole-4-carboxamide, 5-(3-cyclohexyl)-3-methyl-1-tri...",NA,"CN(C1CCCCC1)N=NC2=C(NC=N2)C(=O)N","RHFNBVHPCYWCNV-FOCLMDBBSA-N",135491034,NA,"PDBC37400","83111","Present",NA,NA
+"37401","Imidazole-4-carboxamide, 5-[3-(2-hydroxyethyl)-3-methyl-1-triazeno]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazole-4-carboxamide, 5-[3-(2-hydroxyethyl)-3-methyl-...",NA,"CN(CCO)N=NC1=C(NC=N1)C(=O)N","RZHQCXZQPHOUHK-VAWYXSNFSA-N",135491035,NA,"PDBC37401","83112","Present",NA,NA
+"37402","Imidazole-5-one deri",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazole-5-one deri",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=CC=C4O)C3=O)C5=CC=CC=C5","AFKAXPNLZZOGSZ-OQKWZONESA-N",26476967,NA,"PDBC37402","740613","Present",NA,NA
+"37403","Imino-bis(2-nitrophenyl)-$l^{4}-sulfane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(2-Nitrophenyl)sulfilimine",NA,"C1=CC=C(C(=C1)[N+](=O)[O-])S(=N)C2=CC=CC=C2[N+](=O)[O-]","TZLICMVQPAOMDK-UHFFFAOYSA-N",371591,NA,"PDBC37403","645984","Present",NA,NA
+"37404","Iminostilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"iminostilbene",NA,"C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2","LCGTWRLJTMHIQZ-UHFFFAOYSA-N",9212,NA,"PDBC37404","123458","Present",NA,NA
+"37405","Immucillin-H hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Forodesine",NA,"C1=C(C2=C(N1)C(=O)NC=N2)C3C(C(C(N3)CO)O)O.Cl","WEIAMZKHBCLFOG-UHFFFAOYSA-N",135436309,NA,"PDBC37405","717904","Present",NA,NA
+"37406","Immune Factor Extract from C57B6/6 black mouse",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Immune Factor Extract from C57B6/6 black mouse",NA,NA,NA,NA,NA,"PDBC37406","633655","Present",NA,NA
+"37407","Immune Factor Extract from DBA/2 light grey mouse",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Immune Factor Extract from DBA/2 light grey mouse",NA,NA,NA,NA,NA,"PDBC37407","633654","Present",NA,NA
+"37408","Immune system released activating agent (ISRAA, Mus musc...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Immune system released activating agent (ISRAA, Mus musc...",NA,NA,NA,NA,NA,"PDBC37408","784751","Present",NA,NA
+"37409","Improsulfan hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Yoshi 864",NA,"CS(=O)(=O)OCCCNCCCOS(=O)(=O)C.Cl","YWCASUPWYFFUHE-UHFFFAOYSA-N",5284401,NA,"PDBC37409","102627","Present",NA,NA
+"37410","Incarnal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Incarnal",NA,"CC1(CC2(C(=CC3=CC(=O)C(=C)C32C)C1=O)O)C","JHGIQUYJFHGGCR-YSSOQSIOSA-N",372731,NA,"PDBC37410","648322","Present",NA,NA
+"37411","Incomptina B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Incomptina B",NA,"CC1=CC2C(C(CC3(C(O3)C=C1)C)O)C(=C)C(=O)O2","XTYQOHXCXBVUDL-ONYWMFJLSA-N",54612584,NA,"PDBC37411","685707","Present",NA,NA
+"37412","Indan-1-yl 2-diazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indan-1-yl 2-diazoacetate",NA,"C1CC2=CC=CC=C2C1OC(=O)C=[N+]=[N-]","PLOZLBFNVLSYNM-UHFFFAOYSA-N",386744,NA,"PDBC37412","679284","Present",NA,NA
+"37413","Indan-2-one semicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Indan-2-ylideneamino)urea",NA,"C1C(=NNC(=O)N)CC2=CC=CC=C21","AJEBZDQFTJNVRJ-UHFFFAOYSA-N",378061,NA,"PDBC37413","659752","Present",NA,NA
+"37414","Indan-2-yl 2-diazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indan-2-yl 2-diazoacetate",NA,"C1C(CC2=CC=CC=C21)OC(=O)C=[N+]=[N-]","UVBIEVTXDKWALN-UHFFFAOYSA-N",386746,NA,"PDBC37414","679285","Present",NA,NA
+"37415","Indanocine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indanocine",NA,"CC1=CC(=CC(=C1O)C)C=C2CC3=CC(=C(C(=C3C2=O)N)OC)OC","KJTPWUVVLPCPJD-VGOFMYFVSA-N",5470230,NA,"PDBC37415","698666","Present",NA,NA
+"37416","Indanthren Corinth RK",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indanthren corinth rk",NA,"C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O)C(=O)C7=CC=CC=C7C3=O","SJXWLTLBIFRQQM-UHFFFAOYSA-N",5351878,NA,"PDBC37416","74702","Present",NA,NA
+"37417","Indazole analogue 17",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-742864",NA,"CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)C4CC4","FUQAHBLEGDXXKS-UHFFFAOYSA-N",6539599,NA,"PDBC37417","756483","Present",NA,NA
+"37418","Indazole analogue 18",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-742865",NA,"CS(=O)(=O)NC1=CC=C(C=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)C4CC4","PXDJFHKHAHQLSC-UHFFFAOYSA-N",6539600,NA,"PDBC37418","756484","Present",NA,NA
+"37419","Indene, 1-(4-guanylaminobenzylidene)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-051/43422431",NA,"C1=CC=C2C(=C1)C=CC2=CC3=CC=C(C=C3)N=C(N)N","BOGIJBDMOQJRFY-SDNWHVSQSA-N",6474733,NA,"PDBC37419","112849","Present",NA,NA
+"37420","Indeno[1,2-c]isochromene-5,11-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UPC5E8CVE7",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)OC2=O","HVRWJPNEHHBGGY-UHFFFAOYSA-N",265728,NA,"PDBC37420","102064","Present",NA,NA
+"37421","Indeno[2,1-a]fluorene-11,12-dione hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indeno[2,1-a]fluorene-11,12-dione hydrazone",NA,"C1=CC=C2C(=C1)C3=C(C2=NN)C4=C(C=C3)C5=CC=CC=C5C4=NN","YQFDUUHKVDVAGQ-BLVCXSLXSA-N",9570029,NA,"PDBC37421","634735","Present",NA,NA
+"37422","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(2-chlorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(2-chlorophenyl)-",NA,"C1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=CC=C5Cl","DFVHLAYCCFORGR-UHFFFAOYSA-N",369420,NA,"PDBC37422","641190","Present",NA,NA
+"37423","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(2-chlorophenyl)-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(2-chlorophenyl)-2-methyl-",NA,"CC1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=CC=C5Cl","GJCMXDRHNNBPEY-UHFFFAOYSA-N",369421,NA,"PDBC37423","641191","Present",NA,NA
+"37424","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-bromophenyl)-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-bromophenyl)-2-methyl-",NA,"CC1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=C(C=C5)Br","SBLIENYMLFEZBF-UHFFFAOYSA-N",369423,NA,"PDBC37424","641193","Present",NA,NA
+"37425","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-chlorophenyl)-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-chlorophenyl)-2-methyl-",NA,"CC1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=C(C=C5)Cl","VLCLINDDXGXGCB-UHFFFAOYSA-N",369422,NA,"PDBC37425","641192","Present",NA,NA
+"37426","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-fluorophenyl)-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-(4-fluorophenyl)-2-methyl-",NA,"CC1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=C(C=C5)F","JJOUVADKRBEFAF-UHFFFAOYSA-N",369415,NA,"PDBC37426","641185","Present",NA,NA
+"37427","Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indeno[2,1-d]thiazolo[3,2-a]pyrimidine-3,10(2H,5H)-dione, 5-phenyl-",NA,"C1C(=O)N2C(C3=C(C(=O)C4=CC=CC=C43)N=C2S1)C5=CC=CC=C5","BATNBRDJEYAKBB-UHFFFAOYSA-N",369413,NA,"PDBC37427","641183","Present",NA,NA
+"37428","Indicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indicine",NA,"CC(C)C(C(C)O)(C(=O)OCC1=CCN2C1C(CC2)O)O","SFVVQRJOGUKCEG-XTWPYSKKSA-N",73614,NA,"PDBC37428","136052","Present",NA,NA
+"37429","Indicine-N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indicine-N-Oxide",NA,"CC(C)C(C(C)O)(C(=O)OCC1=CC[N+]2(C1C(CC2)O)[O-])O","DNAWGBOKUFFVMB-PZIGJSDBSA-N",280564,NA,"PDBC37429","132319","Present",NA,NA
+"37430","Indimitecan hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMP776",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=CN=C6)OC.Cl","VZCPAXRDLDYWBE-UHFFFAOYSA-N",45027820,NA,"PDBC37430","725776","Present",NA,NA
+"37431","Indirubin deriv. 8a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Bromoindirubin-3'-Acetoxime",NA,"CC(=O)ON=C1C2=CC=CC=C2N=C1C3=C(NC4=C3C=CC(=C4)Br)O","HUDSYNWJCPDHLL-CJLVFECKSA-N",135398521,NA,"PDBC37431","764238","Present",NA,NA
+"37432","Indirubin derivative, 33",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indirubin derivative, 33",NA,"C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)S(=O)(=O)NCCO)O","MYDHBJOCPAYEFO-UHFFFAOYSA-N",403171,NA,"PDBC37432","717824","Present",NA,NA
+"37433","Indirubin derivative, 8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indirubin derivative, 8",NA,"CN(C)S(=O)(=O)C1=CC2=C(C=C1)NC(=C2C3=NC4=CC=CC=C4C3=O)O","FFOHNHCDXGKZPF-UHFFFAOYSA-N",403170,NA,"PDBC37433","717823","Present",NA,NA
+"37434","Indirubin-3'-monoxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indirubin-3'-oxime",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=C(C4=CC=CC=C4N3)N=O","FQCPPVRJPILDIK-UHFFFAOYSA-N",3707,NA,"PDBC37434","717829","Present",NA,NA
+"37435","Indirubin-5-sulphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1v0o",NA,"C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)S(=O)(=O)O)O","BYYOTMYLPPUWCF-UHFFFAOYSA-N",3708,NA,"PDBC37435","717821","Present",NA,NA
+"37436","Indium(3+);pentane-2,4-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(2,4-pentanedionato)indium(III)",NA,"CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[In+3]","CMGVNFXMZKDHDG-UHFFFAOYSA-N",365234,NA,"PDBC37436","632583","Present",NA,NA
+"37437","Indolcarbonsaureester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indolcarbonsaureester",NA,"CCOC(=O)C1=C(N(C2=C1C(=O)C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C","XNGBUJSADZRFNZ-UHFFFAOYSA-N",12402873,NA,"PDBC37437","740470","Present",NA,NA
+"37438","Indole, 2-methyl-3-[(2-methyl-3H-indol-3-ylidene)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole, 2-methyl-3-[(2-methyl-3H-indol-3-ylidene)methyl]-",NA,"CC1=C(C2=CC=CC=C2N1)C=C3C(=NC4=CC=CC=C43)C","QZEAODHCQJHGHR-BOPFTXTBSA-N",5351195,NA,"PDBC37438","76747","Present",NA,NA
+"37439","Indole, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole, 3-[1-(2-morpholinoethyl)-3-pyrrolidinyl]-, dihyd...",NA,"C1CN(CC1C2=CNC3=CC=CC=C32)CCN4CCOCC4.Cl","SMPBDYHMXPYZHY-UHFFFAOYSA-N",54605524,NA,"PDBC37439","43513","Present",NA,NA
+"37440","Indole-1-carbonyl indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole-1-carbonyl indole-1-carboxylate",NA,"C1=CC=C2C(=C1)C=CN2C(=O)OC(=O)N3C=CC4=CC=CC=C43","GQOYHZXBKVIADF-UHFFFAOYSA-N",359470,NA,"PDBC37440","620335","Present",NA,NA
+"37441","Indole-2, 3-[(o-chlorophenyl)hydrazone]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole-2,3-dione, 3-[(o-chlorophenyl)hydrazone]",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=CC=CC=C3Cl","DCKVLFOMXZJZNU-UHFFFAOYSA-N",272589,NA,"PDBC37441","117192","Present",NA,NA
+"37442","Indole-2, 3-[(pentafluorophenyl)hydrazone]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indole-2,3-dione, 3-[(pentafluorophenyl)hydrazone]",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=C(C(=C(C(=C3F)F)F)F)F","CVPMFEJGUOBQAT-UHFFFAOYSA-N",272247,NA,"PDBC37442","116535","Present",NA,NA
+"37443","Indole-3-carbinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"i0496",NA,"C1=CC=C2C(=C1)C(=CN2)CO","IVYPNXXAYMYVSP-UHFFFAOYSA-N",3712,NA,"PDBC37443","525801","Present",NA,NA
+"37444","Indole-maleimide-trotylimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(1H-Indol-3-yl)-4-(1-tritylimidazol-4-yl)pyrrole-2,5-dione",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N4C=C(N=C4)C5=C(C(=O)NC5=O)C6=CNC7=CC=CC=C76","XWPVAXHJHSRBSU-UHFFFAOYSA-N",398492,NA,"PDBC37444","708403","Present",NA,NA
+"37445","Indole[e]-4,5-epoxy-3-methoxymorphin-14-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HPRLAWOHFRYBFS-UHFFFAOYSA-N",NA,"CN1CCC23C4C5=C(CC2(C1CC6=C3C(=C(C=C6)OC)O4)O)C7=CC=CC=C7N5","HPRLAWOHFRYBFS-UHFFFAOYSA-N",398244,NA,"PDBC37445","707843","Present",NA,NA
+"37446","Indolizino[2,3-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indolizino[2,3-b]quinoxaline",NA,"C1=CC=C2C(=C1)N=C3C=C4C=CC=CN4C3=N2","YNRRTISNKYYOPB-UHFFFAOYSA-N",24204693,NA,"PDBC37446","732497","Present",NA,NA
+"37447","Indolizino[2,3-b]quinoxaline-12-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indolizino[2,3-b]quinoxaline-12-carbonitrile",NA,"C1=CC=C2C(=C1)N=C3C(=C4C=CC=CN4C3=N2)C#N","JKTDGGGCBWROBV-UHFFFAOYSA-N",375025,NA,"PDBC37447","653851","Present",NA,NA
+"37448","Indolo(2,1-b)quinazoline-12-carboxylic acid, 6,12-dihydro-12-hydroxy-6-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6,12-dihydro-12-hydroxy-6-oxoindolo[2,1-b]quinazo...",NA,"COC(=O)C1(C2=CC=CC=C2N=C3N1C4=CC=CC=C4C3=O)O","KBIGHBLKYNEVDZ-UHFFFAOYSA-N",384867,NA,"PDBC37448","675463","Present",NA,NA
+"37449","Indolo[4, ergoline deriv.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-propylagroclavine tartrate",NA,"CCCN1C=C2CC3C(C=C(CN3C)C)C4=C2C1=CC=C4.C(C(C(=O)O)O)(C(=O)O)O","QYFRKSXWBYEURI-UHFFFAOYSA-N",433504,NA,"PDBC37449","332292","Present",NA,NA
+"37450","Indophenol blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indophenol blue",NA,"CN(C)C1=CC=C(C=C1)N=C2C=CC(=O)C3=CC=CC=C23","VRZJGENLTNRAIG-UHFFFAOYSA-N",67235,NA,"PDBC37450","132125","Present",NA,NA
+"37451","Indophenol,6-dibromo-, monosodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indophenol, 2,6-dibromo-, monosodium salt",NA,"C1=CC(=O)C=CC1=NC2=CC(=C(C(=C2)Br)O)Br.[Na+]","FJYSJARYQAYJGE-UHFFFAOYSA-N",21276631,NA,"PDBC37451","11216","Present",NA,NA
+"37452","Indotecan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMP-400",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6CCOCC6)OC","FMFIFGLHVOZDEL-UHFFFAOYSA-N",11533060,NA,"PDBC37452","724998","Present",NA,NA
+"37453","Indoximod",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-1MT",NA,"CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N","ZADWXFSZEAPBJS-SNVBAGLBSA-N",405012,NA,"PDBC37453","721782","Present",NA,NA
+"37454","Indoxole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"indoxol",NA,"COC1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC","SRETXDDCKMOQNE-UHFFFAOYSA-N",21129,NA,"PDBC37454","82959","Present",NA,NA
+"37455","Infigratinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NVP-BGJ398",NA,"CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl","QADPYRIHXKWUSV-UHFFFAOYSA-N",53235510,NA,"PDBC37455","764487","Present",NA,NA
+"37456","Inhibits Na+/K+ ATPase",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756737",NA,"CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)O)O","WDJUZGPOPHTGOT-KSVSUYAUSA-N",5702041,NA,"PDBC37456","756737","Present",NA,NA
+"37457","Iniparib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iniparib",NA,"C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])I","MDOJTZQKHMAPBK-UHFFFAOYSA-N",9796068,NA,"PDBC37457","752493","Present",NA,NA
+"37458","Inokosterone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Inokosterone",NA,"CC(CCC(C(C)(C1CCC2(C1(CCC3C2=CC(=O)C4C3(CC(C(C4)O)O)C)C)O)O)O)CO","JQNVCUBPURTQPQ-UHFFFAOYSA-N",119238,NA,"PDBC37458","342715","Present",NA,NA
+"37459","Inolene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Inolene",NA,"CC1CCC=C(C2CCC(O2)(C3CC4C(C1O3)OC(=O)C4=C)C)C","HRHWPMPIBMXXDZ-ASTUYBFISA-N",5468862,NA,"PDBC37459","678000","Present",NA,NA
+"37460","Inolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678001",NA,"CC1CCCC(C2C3C(CC(O2)C4(CCC1O4)C)C(=C)C(=O)O3)C","OYEGDHIUZXVCHT-NRILQMFOSA-N",6712370,NA,"PDBC37460","678001","Present",NA,NA
+"37461","Inolitazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Inolitazone hydrochloride",NA,"CC1=CC(=CC(=C1N)C)OC2=CC3=C(C=C2)N=C(N3C)COC4=CC=C(C=C4)CC5C(=O)NC(=O)S5","JCYNMRJCUYVDBC-UHFFFAOYSA-N",9832447,NA,"PDBC37461","764579","Present",NA,NA
+"37462","Inosine dialdehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Inosine dialdehyde",NA,"C1=NC2=C(C(=O)N1)N=CN2C(C=O)OC(CO)C=O","RGWOFTGZWJGPHG-NKWVEPMBSA-N",135400916,NA,"PDBC37462","118994","Present",NA,NA
+"37463","Inosine, 2',3',5'-tripentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Inosine, 6-thio-, 2',3',5'-tripentanoate",NA,"CCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCCC)OC(=O)CCCC","QTANWLKOHYGFPW-UHFFFAOYSA-N",4208664,NA,"PDBC37463","77495","Present",NA,NA
+"37464","Inosine, 2',3',5'-tris(4-methoxybenzoate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Inosine, 6-thio-, 2',3',5'-tris(4-methoxybenzoate)",NA,"COC1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=NC4=C3NC=NC4=S)OC(=O)C5=CC=C(C=C5)OC)OC(=O)C6=CC=C(C=C6)OC","KIAHXIQVYYIAET-UHFFFAOYSA-N",4351018,NA,"PDBC37464","76519","Present",NA,NA
+"37465","Inositol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Inosite",NA,"C1(C(C(C(C(C1O)O)O)O)O)O","CDAISMWEOUEBRE-UHFFFAOYSA-N",892,NA,"PDBC37465","8101","Present",NA,NA
+"37466","Inostamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Inostamycin",NA,"CCCC(C1(CC(C(O1)(C2(CC(C(O2)C(CC)C(=O)C(C)C(C(C)C3C(C(C(C(O3)(C(CC)C(=O)O)O)C)O)CC)O)C)C)O)C)CC)O","NZJHONRWXITMMC-RBLAFODUSA-N",368135,NA,"PDBC37466","638478","Present",NA,NA
+"37467","Intal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cromolyn sodium",NA,"C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O.[Na+]","FOXZSJZEADRHAD-UHFFFAOYSA-N",10184937,NA,"PDBC37467","109500","Present",NA,NA
+"37468","Iodinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iodinin",NA,"C1=CC2=C(C(=C1)O)[N+](=C3C=CC=C(C3=[N+]2[O-])O)[O-]","NBMOVCYIGUDQJE-UHFFFAOYSA-N",135441735,NA,"PDBC37468","402910","Present",NA,NA
+"37469","Iodomethane;10-methoxy-7-methyl-2,3,4,5,6,7a,8,12b-octahydro-1H-phenanthro[9,8a-b]pyrrole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iodomethane;10-methoxy-7-methyl-2,3,4,5,6,7a,8,12b-octahydro-1H-phenanthro[9,8a-b]pyrrole",NA,"CN1CCC23C1CC4=C(C2CCCC3)C=CC(=C4)OC.CI","PRBPXKVQHMZPLI-UHFFFAOYSA-N",356136,NA,"PDBC37469","611227","Present",NA,NA
+"37470","Iodonium, (p-nitrophenyl)phenyl-nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iodonium, (p-nitrophenyl)phenyl- nitrate",NA,"C1=CC=C(C=C1)[I+]C2=CC=C(C=C2)[N+](=O)[O-].[N+](=O)(O)O","AMMHDOULLGICEL-UHFFFAOYSA-N",6332375,NA,"PDBC37470","90600","Present",NA,NA
+"37471","Iodonium, bis(p-methoxyphenyl)-nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iodonium, bis(p-methoxyphenyl)- nitrate",NA,"COC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)OC.[N+](=O)(O)O","NQPZBPCHJHTOAH-UHFFFAOYSA-N",6332373,NA,"PDBC37471","90598","Present",NA,NA
+"37472","Iodonium, dimesityl-chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"iodonium, dimesityl- chloride",NA,"CC1=CC(=C(C(=C1)C)[I+]C2=C(C=C(C=C2C)C)C)C.Cl","WAKCRSHUCNABAR-UHFFFAOYSA-N",54609598,NA,"PDBC37472","82109","Present",NA,NA
+"37473","Iodoquinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dyodin",NA,"C1=CC2=C(C(=C(C=C2I)I)O)N=C1","UXZFQZANDVDGMM-UHFFFAOYSA-N",3728,NA,"PDBC37473","8704","Present",NA,NA
+"37474","Iodosilver;trimethylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iodosilver;trimethylphosphane",NA,"CP(C)C.[Ag]I","UEZMPJVLYIQMMG-UHFFFAOYSA-M",357596,NA,"PDBC37474","617069","Present",NA,NA
+"37475","Iopydone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"iopydon",NA,"C1=C(C(=O)C(=CN1)I)I","FRPFEVLOFNAKBS-UHFFFAOYSA-N",21752,NA,"PDBC37475","135284","Present",NA,NA
+"37476","Iqdma",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IQDMA",NA,"CN(C)CCNC1=NC2=CC=CC=C2C3=C1C4=CC=CC=C4N3","UROLFQZUYMCOHV-UHFFFAOYSA-N",24204050,NA,"PDBC37476","730507","Present",NA,NA
+"37477","Ircinianin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ircinianin",NA,"CC1CCC2C1C3(C(C=C2C)C=C(C)CCCC4=COC=C4)C(=C(C(=O)O3)C)O","ONJNDTZVKWTRJZ-YPIMFPMWSA-N",54679365,NA,"PDBC37477","625520","Present",NA,NA
+"37478","Irgd peptide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Peptide [CRGDKGPDC - cys & cys bridge",NA,"C1CC2C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NCC(=O)N2C1)CCCCN)CC(=O)O)CCCN=C(N)N)N)C(=O)O)CC(=O)O","YHTTWXCDIRTOQX-UHFFFAOYSA-N",155816272,NA,"PDBC37478","754347","Present",NA,NA
+"37479","Iridogermanal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iridogermanal",NA,"CC(=CC(CC(=CCCC(=CCCC1(C(C(=C(C)C=O)CCC1(C)O)CCCO)C)C)C)O)C","CMKAMRUVQONAPO-FALQBROGSA-N",5458843,NA,"PDBC37479","360038","Present",NA,NA
+"37480","Iridotrialglucoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iridotrialglucoside",NA,"CC1CCC2(C1C(OC=C2C=O)OC3C(C(C(C(O3)C)O)O)O)O","QEPMZEDPTMKURV-FFUQGIIUSA-N",341847,NA,"PDBC37480","375868","Present",NA,NA
+"37481","Irisoquin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"irisoquin",NA,"CCCCCCCCCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O","VOJSRSKBOJBZEK-UHFFFAOYSA-N",127797,NA,"PDBC37481","608336","Present",NA,NA
+"37482","Irisquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IRISQUINONE",NA,"CCCCCCC=CCCCCCCCCCC1=CC(=O)C=C(C1=O)OC","YYCCUFKHCNSRIA-HJWRWDBZSA-N",5318483,NA,"PDBC37482","614642","Present",NA,NA
+"37483","Irofulven",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Irofulven",NA,"CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CO","NICJCIQSJJKZAH-AWEZNQCLSA-N",148189,NA,"PDBC37483","683863","Present",NA,NA
+"37484","Iron (1+), chloro[[2-hydroxybenzoic acid(2,6- pyridinedi...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iron (1+), chloro[[2-hydroxybenzoic acid(2,6- pyridinedi...",NA,NA,NA,NA,NA,"PDBC37484","617567","Present",NA,NA
+"37485","Iron(1+); N-[(E)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iron(1+); N-[(E)-1-pyrazin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide",NA,NA,NA,NA,NA,"PDBC37485","633272","Present",NA,NA
+"37486","Iron, carbonyl(.eta.(5)-2,4-cyclopentadien-1-yl)(dimethy...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iron, carbonyl(.eta.(5)-2,4-cyclopentadien-1-yl)(dimethy...",NA,NA,NA,NA,NA,"PDBC37486","175493","Present",NA,NA
+"37487","Iron, carbonyl(.eta.5-2,4-cyclopentadien-1-yl)(di-4-morp...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iron, carbonyl(.eta.5-2,4-cyclopentadien-1-yl)(di-4-morp...",NA,NA,NA,NA,NA,"PDBC37487","175490","Present",NA,NA
+"37488","Iron, dichloro[hexahydro-1H-azepine-1-carbothioic acid [...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iron, dichloro[hexahydro-1H-azepine-1-carbothioic acid [...",NA,NA,NA,NA,NA,"PDBC37488","338304","Present",NA,NA
+"37489","Iron, tricarbonyl[(2,3,4,5-.eta.)-ethyl 1H-azepine-1-car...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iron, tricarbonyl[(2,3,4,5-.eta.)-ethyl 1H-azepine-1-car...",NA,NA,NA,NA,NA,"PDBC37489","174589","Present",NA,NA
+"37490","Iron, trichloro[phenyl-2-pyridinylmethanone(2-pyridinyl-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iron, trichloro[phenyl-2-pyridinylmethanone(2-pyridinyl-...",NA,NA,NA,NA,NA,"PDBC37490","625539","Present",NA,NA
+"37491","Iron;(NE,3Z)-N-(1-pyridazin-3-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iron;(NE,3Z)-N-(1-pyridazin-3-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,"PDBC37491","633268","Present",NA,NA
+"37492","Iron;(NE,3Z)-N-(1-pyrimidin-4-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iron;(NE,3Z)-N-(1-pyrimidin-4-ylethylidene)-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,"PDBC37492","633274","Present",NA,NA
+"37493","Iron;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iron;(NE,3Z)-N-[1-(6-methylpyridazin-3-yl)ethylidene]-3-azabicyclo[3.2.2]nonane-3-carbohydrazonothioate",NA,NA,NA,NA,NA,"PDBC37493","633270","Present",NA,NA
+"37494","Islandicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"islandin",NA,"CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=CC=C3)O)O","FHFHNVHRVKQQHN-UHFFFAOYSA-N",10151,NA,"PDBC37494","264955","Present",NA,NA
+"37495","IsoPM-TitanosalanF",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IsoPM-TitanosalanF",NA,"CC(C)[O-].CC(C)[O-].CN(CCN(C)CC1=C(C(=CC(=C1)F)F)[O-])CC2=C(C(=CC(=C2)F)F)[O-].[Ti+4]","CQLNQVGUXKNPCO-UHFFFAOYSA-L",60147812,NA,"PDBC37495","752462","Present",NA,NA
+"37496","Isoacteoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"iso-acteoside",NA,"CC1C(C(C(C(O1)OC2C(C(OC(C2O)OCCC3=CC(=C(C=C3)O)O)COC(=O)C=CC4=CC(=C(C=C4)O)O)O)O)O)O","FNMHEHXNBNCPCI-QEOJJFGVSA-N",6476333,NA,"PDBC37496","729649","Present",NA,NA
+"37497","Isoaminoperezone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697124",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)N)O","GJIMSEJMFUROEH-SECBINFHSA-N",394007,NA,"PDBC37497","697124","Present",NA,NA
+"37498","Isoannonacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoannonacin",NA,"CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC2CC(C(=O)O2)CC(=O)C)O)O)O","DGQPZGGOYKKJLX-UHFFFAOYSA-N",128014,NA,"PDBC37498","618571","Present",NA,NA
+"37499","Isoarq",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isoARQ",NA,"CC(=CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)O)C4=CN(C5=CC=CC=C54)C(C)(C)C=C)O)C","TUPLQPTWXCZPJD-UHFFFAOYSA-N",385442,NA,"PDBC37499","676677","Present",NA,NA
+"37500","Isobaccharin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isobaccharin",NA,"CC(C1C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C7C(O7)(C(CO1)O)C)C)CO4)O","DGBITFNXKQHKLI-CYLYTYKUSA-N",5358646,NA,"PDBC37500","269760","Present",NA,NA
+"37501","Isobromodeoxytopsentin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isobromodeoxytopsentin",NA,"C1=CC=C2C(=C1)C(=CN2)C3=CN=C(N3)C(=O)C4=CNC5=C4C=CC(=C5)Br","BEDNSRVQPOJNPU-UHFFFAOYSA-N",400453,NA,"PDBC37501","712185","Present",NA,NA
+"37502","Isobrucein B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isobrucein B",NA,"CC1=CC(=O)C(C2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C)(OC5)C(=O)OC)O)O)C)O","WAYNIXHIORQRDI-VMWQHYTCSA-N",54607155,NA,"PDBC37502","238181","Present",NA,NA
+"37503","Isobutyl 1-amino-2,2,2-trifluoro-1-(trifluoromethyl)ethyl(methyl)phosphinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isobutyl 1-amino-2,2,2-trifluoro-1-(trifluoromethyl)ethyl(methyl)phosphinate",NA,"CC(C)COP(=O)(C)C(C(F)(F)F)(C(F)(F)F)N","PKOWTGUANISXIT-UHFFFAOYSA-N",382500,NA,"PDBC37503","670106","Present",NA,NA
+"37504","Isobutyl 3-(3,3-dimethyltriazeno)-p-toluate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154276",NA,"CC1=C(C=C(C=C1)C(=O)OCC(C)C)N=NN(C)C","ZTXLGUQTRAMUDP-UHFFFAOYSA-N",374077,NA,"PDBC37504","651337","Present",NA,NA
+"37505","Isobutyl 4-((4-(((4-(isobutoxycarbonyl)phenyl)imino)methyl)benzylidene)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isobutyl 4-((4-(((4-(isobutoxycarbonyl)phenyl)imino)methyl)benzylidene)amino)benzoate",NA,"CC(C)COC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)C=NC3=CC=C(C=C3)C(=O)OCC(C)C","FZFMLVRMAJJQOL-UHFFFAOYSA-N",367990,NA,"PDBC37505","638210","Present",NA,NA
+"37506","Isobutyl 6-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isobutyl 6-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate",NA,"CC(C)COC(=O)N1C2C(C3CC(=O)C2O3)N=N1","RIYZMZQPYVRIHO-UHFFFAOYSA-N",368690,NA,"PDBC37506","639822","Present",NA,NA
+"37507","Isobutylcarbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-03466",NA,"CC(C)CNC(=O)O","PFDJIMKTGBPMEC-UHFFFAOYSA-N",275698,NA,"PDBC37507","122674","Present",NA,NA
+"37508","Isobutyltriphenylphosphonium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC122263",NA,"CC(C)C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]","OVPOVBJOOFKCFI-UHFFFAOYSA-M",18386505,NA,"PDBC37508","122263","Present",NA,NA
+"37509","Isobutyramide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isobutylamide",NA,"CC(C)C(=O)N","WFKAJVHLWXSISD-UHFFFAOYSA-N",68424,NA,"PDBC37509","8423","Present",NA,NA
+"37510","Isodaphlongamine H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-epi-deoxycalyciphylline B",NA,"CC1CN2C3C(CCC4C3=CCC4)C5(C6(C2C1CC6)CCC(=O)O5)C","NGQSEZXJVMCXSC-PEUWLILFSA-N",132518824,NA,"PDBC37510","787224","Present",NA,NA
+"37511","Isodihydroclutiolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isodihydroclutiolide",NA,"CC1(CCCC2(C1COC2=O)C)C3CC(OC(=O)C3=C)C4=COC=C4","XDJOYTCNWGGBMI-DIQGILDXSA-N",370656,NA,"PDBC37511","644019","Present",NA,NA
+"37512","Isodiospyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isodiospyrin",NA,"CC1=CC2=C(C(=O)C=CC2=O)C(=C1C3=C4C(=O)C=CC(=O)C4=C(C=C3C)O)O","OEEOHKZVBKYMBA-UHFFFAOYSA-N",99298,NA,"PDBC37512","208731","Present",NA,NA
+"37513","Isoepoxydon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Epiepoxydon",NA,"C1=C(C(=O)C2C(C1O)O2)CO","VTLJDPHPVHSVGR-JHYUDYDFSA-N",331736,NA,"PDBC37513","326233","Present",NA,NA
+"37514","Isoguanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Crotonosid",NA,"C1=NC2=C(NC(=O)N=C2N1C3C(C(C(O3)CO)O)O)N","MIKUYHXYGGJMLM-UHFFFAOYSA-N",223996,NA,"PDBC37514","12161","Present",NA,NA
+"37515","Isoharringtonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isoharringtonine",NA,"CC(C)CCC(C(C(=O)OC)O)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O","CAOHZEUEVKYHPF-XWHOPEMDSA-N",73492,NA,"PDBC37515","141634","Present",NA,NA
+"37516","Isohomohalichondrin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isohomohalichondrin B",NA,"CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC(C(O4)CC(=O)CCO)O)C)C)OC9CC(C1=C)O2)C","WVWWZNXKZNACRW-XAWBFGRASA-N",6711990,NA,"PDBC37516","650467","Present",NA,NA
+"37517","Isoindigotin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoindigotin",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O","VBMISAYWIMDRCV-UHFFFAOYSA-N",164610,NA,"PDBC37517","717810","Present",NA,NA
+"37518","Isoindolo[1,2-c][1,2,4]benzotriazine-11-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoindolo[2,1-c]benzo[1,2,4]triazine",NA,"C1=CC=C2C(=C1)N=NC3=C4C=CC=CC4=C(N23)C#N","UVKBHPFWXOQGKD-UHFFFAOYSA-N",16066790,NA,"PDBC37518","729491","Present",NA,NA
+"37519","Isoindolo[2,1-a]quinoxaline-6(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isoindolo[1,2-a]quinoxalin-4(5H)-one",NA,"C1=CC=C2C(=C1)NC(=O)C3=C4C=CC=CC4=CN23","SCMIDKNBCPXKLK-UHFFFAOYSA-N",24205090,NA,"PDBC37519","734235","Present",NA,NA
+"37520","Isoindolo[2,1-b]isoquinoline-5,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.588.897G",NA,"C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C(=O)N3C2=O","MTNJPOTYDQNBCL-UHFFFAOYSA-N",353868,NA,"PDBC37520","603331","Present",NA,NA
+"37521","Isokanugin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isokanugin",NA,"COC1=CC2=C(C(=C1)OC)C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC","GDROEPRRAVOAOE-UHFFFAOYSA-N",386324,NA,"PDBC37521","678100","Present",NA,NA
+"37522","Isolaurenisol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isolaurenisol///Isolaurenisol acetate",NA,"CC1CCC(C1=CBr)(C)C2=C(C=C(C=C2)C)O","UBWCUFQVQWSAIZ-QQOCCKOMSA-N",10063078,NA,"PDBC37522","720796///720797","Present",NA,NA
+"37523","Isolintenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isolintenone",NA,"CC1CC(=O)C2C(C3(C2(C1(CC3)C)C)C)CCC(=CCCC4=CC(=O)OC4)C","SDTZLYYMKYPKGF-VGBCXAHSSA-N",5467983,NA,"PDBC37523","661427","Present",NA,NA
+"37524","Isomahanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isomahanine",NA,"CC1=CC2=C(C=C1O)NC3=C2C=CC4=C3C=CC(O4)(C)CCC=C(C)C","WWXYBSVWYPHUPZ-UHFFFAOYSA-N",375148,NA,"PDBC37524","654282","Present",NA,NA
+"37525","Isomer of aurantionone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656899///Isomer of aurantionone",NA,"CC1=CC(=C2C3=C1C(=O)C(C(=O)C3=C(C(=C2O)OC)O)(C(C)(C)C(=O)C)O)O","GYDRFDXVHHUERI-UHFFFAOYSA-N",376220,NA,"PDBC37525","656899///656900","Present",NA,NA
+"37526","Isomurrayafoline B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isomurrayafoline B",NA,"CC1=CC2=C(C=C1O)NC3=C2C=CC(=C3CC=C(C)C)OC","XFLPKTCBCLWABD-UHFFFAOYSA-N",375146,NA,"PDBC37526","654280","Present",NA,NA
+"37527","Isonicotinic acid (6-chloro-4-oxo-4H-chromen-3-ylmethylene)-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isonicotinic acid (6-chloro-4-oxo-4H-chromen-3-ylmethyle...",NA,"C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=NNC(=O)C3=CC=NC=C3","XMDBONHIROJGRV-UFWORHAWSA-N",9579174,NA,"PDBC37527","732253","Present",NA,NA
+"37528","Isonicotinic acid (S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-5,6,7,9-tetrahydro-benzo[a]heptalen-7-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(7S)-1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl] pyridine-4-carboxylate",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)OC(=O)C4=CC=NC=C4)OC)OC","CWATZKGHUVXYMO-FQEVSTJZSA-N",391585,NA,"PDBC37528","691040","Present",NA,NA
+"37529","Isonicotinic acid N'-[4-(4-methoxy-phenylamino)-6-(N'-phenylacetyl-hydrazino)-[1,3,5]triazin-2-yl]-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-(4-Methoxyanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,"COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","BPBHCXBJDQKTGG-UHFFFAOYSA-N",378412,NA,"PDBC37529","660830","Present",NA,NA
+"37530","Isonicotinic acid N'-[4-(N'-phenylacetyl-hydrazino)-6-o-tolylamino-[1,3,5]triazin-2-yl]-hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-(2-Methylanilino)-6-[2-(2-phenylacetyl)hydrazinyl]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,"CC1=CC=CC=C1NC2=NC(=NC(=N2)NNC(=O)C3=CC=NC=C3)NNC(=O)CC4=CC=CC=C4","FSIMDEDXNLOXOE-UHFFFAOYSA-N",378405,NA,"PDBC37530","660823","Present",NA,NA
+"37531","Isonicotinic acid, (4,5-bis(2-chlorophenyl)-2-furfurylidene)hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4,5-Bis(2-chlorophenyl)-2-furyl]methyleneamino]pyridine-4-carboxamide",NA,"C1=CC=C(C(=C1)C2=C(OC(=C2)C=NNC(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl)Cl","XDKREKTVUNWKHY-MZJWZYIUSA-N",9555893,NA,"PDBC37531","647263","Present",NA,NA
+"37532","Isonicotinic acid, [2-[(6-methoxybenzothiazol-2-yl)amino]1,2-dioxoethyl]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Methoxy-1,3-benzothiazol-2-yl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazino]acetamide",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)NNC(=O)C3=CC=NC=C3","PWVHVLOLNSFNOD-UHFFFAOYSA-N",370989,NA,"PDBC37532","644795","Present",NA,NA
+"37533","Isopaque",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Metrizoate Sodium",NA,"CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I.[Na+]","UKIYDXCFKFLIMU-UHFFFAOYSA-N",23618707,NA,"PDBC37533","107431","Present",NA,NA
+"37534","Isopentyl 2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopentyl 2,2,2-trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethylcarbamate",NA,"CC(C)CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)F","OPMUGVBFTYMZFU-UHFFFAOYSA-N",383585,NA,"PDBC37534","672003","Present",NA,NA
+"37535","Isoperezone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697134",NA,"CC1=C(C(=O)C(=CC1=O)C(C)CCC=C(C)C)O","HNRKPBAGNHFUNQ-SNVBAGLBSA-N",178981,NA,"PDBC37535","697134","Present",NA,NA
+"37536","Isopilosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopilosine",NA,"CN1C=NC=C1CC2COC(=O)C2C(C3=CC=CC=C3)O","DZOVBAVEJYPSLL-UHFFFAOYSA-N",114553,NA,"PDBC37536","117179","Present",NA,NA
+"37537","Isopimpinellin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopimpinellin",NA,"COC1=C2C=COC2=C(C3=C1C=CC(=O)O3)OC","DFMAXQKDIGCMTL-UHFFFAOYSA-N",68079,NA,"PDBC37537","401288","Present",NA,NA
+"37538","Isopinnatal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopinnatal",NA,"CC12CCC3C1C=C4C(=O)C5=C(C=CC(=C5)O)C(=O)C4(C3(C)C=O)O2","NMLFNFAGOHGLMD-GVFSZWDCSA-N",390665,NA,"PDBC37538","688277","Present",NA,NA
+"37539","Isoplumbagin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthsaritone",NA,"CC1=CC(=O)C2=C(C1=O)C(=CC=C2)O","ZMOIGGHUSNHCAB-UHFFFAOYSA-N",375105,NA,"PDBC37539","654206","Present",NA,NA
+"37540","Isopropyl 1-(4-(((2,6-dimethyl-4-pyrimidinyl)amino)sulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl N-[2-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]anilino]-1,1,1,3,3,3-hexafluoropropan-2-yl]carbamate",NA,"CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OC(C)C","BRGURBGUGHYAFY-UHFFFAOYSA-N",383581,NA,"PDBC37540","671999","Present",NA,NA
+"37541","Isopropyl 1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropyl 1-phenyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate",NA,"CC(C)OC(=O)C1CC2=C(C(N1)C3=CC=CC=C3)NC4=CC=CC=C24","DLPQACDNNKNHOH-UHFFFAOYSA-N",364139,NA,"PDBC37541","629811","Present",NA,NA
+"37542","Isopropyl 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl(phenyl)phosphinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-[Isopropoxy(phenyl)phosphoryl]-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene",NA,"CC(C)OP(=O)(C1=CC=CC=C1)C2=CC3=C(C=C2)OCCOCCOCCOCCO3","XSUOGPUUCNXHAI-UHFFFAOYSA-N",376522,NA,"PDBC37542","657481","Present",NA,NA
+"37543","Isopropyl 2,6-bis(hydroxy(oxido)amino)-4-(trifluoromethyl)phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropyl 2,6-bis(hydroxy(oxido)amino)-4-(trifluoromethyl)phenylcarbamate",NA,"CC(C)OC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","VEBBUGUTEYFUEO-UHFFFAOYSA-N",360496,NA,"PDBC37543","622630","Present",NA,NA
+"37544","Isopropyl 2-((hydroxyimino)methyl)nicotinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropyl 2-((hydroxyimino)methyl)nicotinate",NA,"CC(C)OC(=O)C1=C(N=CC=C1)C=NO","VOHCJAKLGYYQQM-WUXMJOGZSA-N",135499205,NA,"PDBC37544","644865","Present",NA,NA
+"37545","Isopropyl 2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropyl 2-(4-phenyl-1H-1,2,3-triazol-1-yl)ethylcarbamate",NA,"CC(C)OC(=O)NCCN1C=C(N=N1)C2=CC=CC=C2","SNQPUBRDMKSAHT-UHFFFAOYSA-N",386623,NA,"PDBC37545","679077","Present",NA,NA
+"37546","Isopropyl 2-(bis(acetyloxy)methyl)nicotinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropyl 2-(bis(acetyloxy)methyl)nicotinate",NA,"CC(C)OC(=O)C1=C(N=CC=C1)C(OC(=O)C)OC(=O)C","WBTGIYQCEFYYNY-UHFFFAOYSA-N",371001,NA,"PDBC37546","644864","Present",NA,NA
+"37547","Isopropyl 2-chloro-4-((2,5-dihydroxybenzyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-chloro-4-[[(2,5-dihydroxyphenyl)methyl]a...",NA,"CC(C)OC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2)O)O)Cl","KYIFXDFKSZAPFG-UHFFFAOYSA-N",389909,NA,"PDBC37547","686561","Present",NA,NA
+"37548","Isopropyl 3-(3,3-dimethyltriazeno)-p-toluate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154278",NA,"CC1=C(C=C(C=C1)C(=O)OC(C)C)N=NN(C)C","NIVIIISQCOCKFV-UHFFFAOYSA-N",374076,NA,"PDBC37548","651336","Present",NA,NA
+"37549","Isopropyl 4-(2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)ethyl]...",NA,"CC(C)OC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C=CC2=O","STLHEFVFTLZREP-UHFFFAOYSA-N",389014,NA,"PDBC37549","684496","Present",NA,NA
+"37550","Isopropyl 4-(2-(4-bromo-2,5-dihydroxyphenyl)ethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropyl 4-[2-[4-bromo-2,5-dihydroxyphenyl]ethyl]benzoate",NA,"CC(C)OC(=O)C1=CC=C(C=C1)CCC2=CC(=C(C=C2O)Br)O","GFVHZJCQHKYGMC-UHFFFAOYSA-N",389288,NA,"PDBC37550","685106","Present",NA,NA
+"37551","Isopropyl 4-(2-(4-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropyl 4-[2-[4-bromo-3,6-dioxo-1,4-cyclohexadienyl]et...",NA,"CC(C)OC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C(=CC2=O)Br","ZFNBSVGEBQKXEG-UHFFFAOYSA-N",389289,NA,"PDBC37551","685107","Present",NA,NA
+"37552","Isopropyl 5-[benzyl(2-methoxybenzoyl)amino]-2-chlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methylethyl-2-chloro-5-[N-(phenylmethyl)- (2-methoxybe...",NA,"CC(C)OC(=O)C1=C(C=CC(=C1)N(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3OC)Cl","ZQKUDMQDTFZXKI-UHFFFAOYSA-N",364531,NA,"PDBC37552","630922","Present",NA,NA
+"37553","Isopropyl 5-methyl-4-oxo-3-[2-oxo-2-(3-toluidino)ethyl]-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isopropyl 5-methyl-3-(3-methylphenylcarbamoylmethyl)-4-o...",NA,"CC1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)C(=C(S3)C(=O)OC(C)C)C","MMDSMXJBULRLMM-UHFFFAOYSA-N",993124,NA,"PDBC37553","730220","Present",NA,NA
+"37554","Isopropyl [2-[(E)-(3-nitrophenyl)methyleneamino]phenyl]sulfanylmethyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-{[(E)-(3-Nitrophenyl)methylidene]amino}phenyl)sulfanyl]methyl propan-2-yl carbonate",NA,"CC(C)OC(=O)OCSC1=CC=CC=C1N=CC2=CC(=CC=C2)[N+](=O)[O-]","DDFTYKYCPZDQDP-UHFFFAOYSA-N",379457,NA,"PDBC37554","664012","Present",NA,NA
+"37555","Isopropyl diethylcarbamo(dithioperoxo)thioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isopropyl diethylcarbamo(dithioperoxo)thioate",NA,"CCN(CC)C(=S)SSC(C)C","VYORQLUXGQBXDY-UHFFFAOYSA-N",46197112,NA,"PDBC37555","749795","Present",NA,NA
+"37556","Isopropylfagaronine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropylfagaronine chloride",NA,"CC(C)OC1=C(C=C2C(=C1)C=CC3=C2[N+](=CC4=CC(=C(C=C34)OC)OC)C)OC.[Cl-]","SHRBLYZHTCQXNU-UHFFFAOYSA-M",371238,NA,"PDBC37556","645296","Present",NA,NA
+"37557","Isopropylidene .alpha.-thiofuryl malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropylidene .alpha.-thiofuryl malonate",NA,"CC1(OC(=O)C(C(=O)O1)C2=CC=CS2)C","CODWCSDXXQXRGI-UHFFFAOYSA-N",370300,NA,"PDBC37557","643155","Present",NA,NA
+"37558","Isopropylidene 3,4-dimethoxybenzylidene malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropylidene 3,4-dimethoxybenzylidene malonate",NA,"CC1(OC(=O)C(=CC2=CC(=C(C=C2)OC)OC)C(=O)O1)C","FZHKGXFTVVEHNP-UHFFFAOYSA-N",370314,NA,"PDBC37558","643171","Present",NA,NA
+"37559","Isopropylidene 3-bromo-4-dimethyl amino benzylidene malo...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropylidene 3-bromo-4-dimethyl amino benzylidene malo...",NA,"CC1(OC(=O)C(=CC2=CC(=C(C=C2)N(C)C)Br)C(=O)O1)C","QRHOIDNVCKPSFQ-UHFFFAOYSA-N",370306,NA,"PDBC37559","643161","Present",NA,NA
+"37560","Isopropylidene p-hydroxybenzylidene malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropylidene p-hydroxybenzylidene malonate",NA,"CC1(OC(=O)C(=CC2=CC=C(C=C2)O)C(=O)O1)C","JPPNMIXVIYOENU-UHFFFAOYSA-N",370541,NA,"PDBC37560","643768","Present",NA,NA
+"37561","Isopropylidene-.beta.-thiofurfurylidene malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropylidene-.beta.-thiofurfurylidene malonate",NA,"CC1(OC(=O)C(C(=O)O1)C2=CSC=C2)C","HAGWJJFKVFSZLP-UHFFFAOYSA-N",370301,NA,"PDBC37561","643156","Present",NA,NA
+"37562","Isopropylidene-3,4,5-trimethoxybenzylidene malonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropylidene-3,4,5-trimethoxybenzylidene malonate",NA,"CC1(OC(=O)C(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)O1)C","QEXAKWRHBFEIIE-UHFFFAOYSA-N",370323,NA,"PDBC37562","643182","Present",NA,NA
+"37563","Isopropyltriphenylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropyltriphenylphosphonium bromide",NA,"CC(C)[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","HSOZCYIMJQTYEX-UHFFFAOYSA-M",2795292,NA,"PDBC37563","113130","Present",NA,NA
+"37564","Isoquino[3,4-b]quinoxalin-5(6H)-one, 6-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoquino[3,4-b]quinoxalin-5(6H)-one, 6-methyl-",NA,"CN1C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4C1=O","HHLCUEGBMLAHMA-UHFFFAOYSA-N",362865,NA,"PDBC37564","627271","Present",NA,NA
+"37565","Isoquino[4,3-g]pteridine-5,9,11(6H,8H,10H)-trione, 6,8,10-trimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoquino[4,3-g]pteridine-5,9,11(6H,8H,10H)-trione, 6,8,10-trimethyl-",NA,"CN1C2=C(C3=CC=CC=C3C1=O)N=C4C(=N2)N(C(=O)N(C4=O)C)C","MUDVQYUOBYNPBR-UHFFFAOYSA-N",362867,NA,"PDBC37565","627273","Present",NA,NA
+"37566","Isoquinocycline A, Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoquinocycline A, Hydrochloride",NA,"CC1C(C(CC(O1)OC2C3=CC4=C(C(=C3C5CC2(OC56C=C7C=CNC7=N6)C)O)C(=O)C8=C(C4=O)C(=CC=C8)O)O)(C(C)O)O.Cl","PEWVERDOCCTUCM-MTWPOXTLSA-N",54606991,NA,"PDBC37566","194617","Present",NA,NA
+"37567","Isoquinolin-1-yl(diphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoquinolin-1-yl(diphenyl)methanol",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC=CC4=CC=CC=C43)O","RWUBNIRCKNOULT-UHFFFAOYSA-N",230505,NA,"PDBC37567","25448","Present",NA,NA
+"37568","Isoquinolin-1-yl-(4-methoxyphenyl)-phenylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoquinolin-1-yl(4-methoxyphenyl)phenylmethanol",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=NC=CC4=CC=CC=C43)O","SJOGTWBIIGPFCI-UHFFFAOYSA-N",230510,NA,"PDBC37568","25454","Present",NA,NA
+"37569","Isoquinolinium (8CI),2'-decamethylenedi-, dibromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isoquinolinium (8ci), 2,2'-decamethylenedi-, dibromide",NA,"C1=CC=C2C=[N+](C=CC2=C1)CCCCCCCCCC[N+]3=CC4=CC=CC=C4C=C3.[Br-]","MCKBJUDGVNKWAP-UHFFFAOYSA-M",24184168,NA,"PDBC37569","33434","Present",NA,NA
+"37570","Isoquinolinium,4,6-trimethoxyphenyl)ethenyl]-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoquinolinium, 2-methyl-1-[2-(2,4,6-trimethoxyphenyl)et...",NA,"C[N+]1=C(C2=CC=CC=C2C=C1)C=CC3=C(C=C(C=C3OC)OC)OC.[I-]","LNYHJGVYJMZOJX-RRABGKBLSA-M",20832450,NA,"PDBC37570","236620","Present",NA,NA
+"37571","Isoquinolinium,7-dimethoxy-2-methyl-1-(phenylmethyl)-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoquinolinium, 6,7-dimethoxy-2-methyl-1-(phenylmethyl)-...",NA,"C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=CC=C3.[I-]","KGPWKADRUMGVDR-UHFFFAOYSA-M",21144550,NA,"PDBC37571","168209","Present",NA,NA
+"37572","Isoreserpiline, citrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ELLIPTINE///isoreserpiline, citrate",NA,"CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC(=C(C=C45)OC)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","PEXDQBIIYNZYBT-UHFFFAOYSA-N",234845,NA,"PDBC37572","35541///72715","Present",NA,NA
+"37573","Isoroscovitine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isoroscovitine",NA,"CCC(CO)NC1=NC2=C(NN=C2C(=N1)NCC3=CC=CC=C3)C(C)C","AOPRHEOJTUWSAR-UHFFFAOYSA-N",45028202,NA,"PDBC37573","741613","Present",NA,NA
+"37574","Isoroserine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isoroserine",NA,"COC1=C(C(=C2C3=C4C(CCC3)CC[N+]4=CC2=C1)OC)OC.[Cl-]","DPEYQHDJRPZHIC-UHFFFAOYSA-M",395428,NA,"PDBC37574","699963","Present",NA,NA
+"37575","Isoscrophulariosid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoscrophulariosid",NA,"C1=CC=C(C=C1)C=CC(=O)OCC2=CC(C3C2C(OC=C3)OC4C(C(C(C(O4)CO)O)O)O)O","CVCVKDKFYYUQSF-VKTUIASDSA-N",5384786,NA,"PDBC37575","362012","Present",NA,NA
+"37576","Isospiropachysine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiropachysine",NA,"CC(C1CCC2C1(CCC3C2CCC4C3(CCC5(C4)C6=CC=CC=C6C(=O)N5C)C)C)N(C)C","SLGWGPQWJRVPAD-IVIUYWDCSA-N",374414,NA,"PDBC37576","652124","Present",NA,NA
+"37577","Isostrychnine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isostrychnine",NA,"C1CN2CC(=CCO)C3CC2C14C5C3=CCC(=O)N5C6=CC=CC=C46","PNYOGGAOQVIZDM-NTUHNPAUSA-N",5318675,NA,"PDBC37577","99791","Present",NA,NA
+"37578","Isostrychnopentamine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isostrychnopentamine A",NA,"CN1CCCC1C2=C(C=CC3=C2NC4=C3CCN5C4CC(C(C5)C=C)CC6C7=C(CCN6C)C8=CC=CC=C8N7)O","PHLJPJICTIGOKC-RZVVXSKCSA-N",6712642,NA,"PDBC37578","703772","Present",NA,NA
+"37579","Isostrychnopentamine A trihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isostrychnopentamine A trihydrochloride",NA,"CN1CCCC1C2=C(C=CC3=C2NC4=C3CCN5C4CC(C(C5)C=C)CC6C7=C(CCN6C)C8=CC=CC=C8N7)O.Cl","PPWHMKHGMBSUBI-ZMTMPHPOSA-N",54611556,NA,"PDBC37579","717224","Present",NA,NA
+"37580","Isosungucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isosungucine",NA,"CC=C1CN2CCC34C2CC1C5C3N(C6=CC=CC=C46)C(=O)C(=C5)C7CC89C1N7CC(=CC)C(C1)C1=CCC(=O)N(C18)C1=CC=CC=C91","YUHHQTGJEOQYDV-RARADXCZSA-N",5471853,NA,"PDBC37580","715083","Present",NA,NA
+"37581","Isoteucrin H4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoteucrin H4",NA,"CC1CC2C3=C(C14CC(OC4=O)C5=COC=C5)CC(CC3C(=O)O2)O","GEQWDBTYASTNAP-VWJDLHCYSA-N",6711998,NA,"PDBC37581","650964","Present",NA,NA
+"37582","Isothianinhydrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isothianinhydrin",NA,"C1=C2C(=CS1)C(=O)C(C2=O)(O)O","YFCNVDPRLIUAJH-UHFFFAOYSA-N",398917,NA,"PDBC37582","709151","Present",NA,NA
+"37583","Isothiazolidine, 2-nitroso-, 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isothiazolidine, 2-nitroso-, 1,1-dioxide",NA,"C1CN(S(=O)(=O)C1)N=O","LBEMSICGMILWFG-UHFFFAOYSA-N",379811,NA,"PDBC37583","664911","Present",NA,NA
+"37584","Isothiazolo[5,4-b]pyridin-3(2H)-one, 2-[2-hydroxy-3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-4,6-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-Hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-4,6-dimethyl-isothiazolo[5,4-b]pyridin-3-one",NA,"CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCN(CC3)C4=NC=CC=N4)O)C","YTMCMILIVNHTJG-UHFFFAOYSA-N",401092,NA,"PDBC37584","713915","Present",NA,NA
+"37585","Isothiazolo[5,4-b]pyridine-2(3H)-acetic acid, 5-nitro-3-oxo-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isothiazolo[5,4-b]pyridine-2(3H)-acetic acid, 5-nitro-3-oxo-, ethyl ester",NA,"CCOC(=O)CN1C(=O)C2=C(S1)N=CC(=C2)[N+](=O)[O-]","BLRLCZDVLCCCJM-UHFFFAOYSA-N",385040,NA,"PDBC37585","675961","Present",NA,NA
+"37586","Isothiocyanoalloaromadendrane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-10(S)-Isothiocyanoalloaromadendrane",NA,"CC1CCC2C1C3C(C3(C)C)CCC2(C)N=C=S","ARPIGBFJJLTHFU-ZBXLYSBASA-N",383471,NA,"PDBC37586","671857","Present",NA,NA
+"37587","Isothiourea, 2,4-dinitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamimidothioic acid, (4-chloro-1-naphthalenyl)methyl ...",NA,"C1=CC=C2C(=C1)C(=CC=C2Cl)CSC(=N)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O","MXBNXBMVIBIEQE-UHFFFAOYSA-N",235013,NA,"PDBC37587","35950","Present",NA,NA
+"37588","Isovelleral",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isovelleral",NA,"CC1(CC2C=C(C3(CC3(C2C1)C)C=O)C=O)C","PJAAESPGJOSQGZ-UHFFFAOYSA-N",326993,NA,"PDBC37588","299922","Present",NA,NA
+"37589","Isovenenatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"venetine",NA,"COC1=CC=CC2=C1C3=C(N2)C4CC5C(CCC(C5C(=O)OC)O)CN4CC3","WMMZYEBFJWWUJX-UHFFFAOYSA-N",433868,NA,"PDBC37589","339139","Present",NA,NA
+"37590","Isoviolastyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ISOVIOLASTYRENE",NA,"COC1=CC(=C(C=C1CC=CC2=CC=CC=C2)O)OC","BIOKFCCSNSUOLP-RMKNXTFCSA-N",5458527,NA,"PDBC37590","269123","Present",NA,NA
+"37591","Isowithanolide E,15-epoxy-6 alpha-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"14,15-epoxy-6.alpha.-isowithanolide e",NA,"CC1=C(C(=O)OC(C1)C(C)(C2(CC3C4(C2(CCC5C4CC(C67C5(C(=O)C=CC6O7)C)O)C)O3)O)O)C.CC1=C(C(=O)OC(C1)C(C)(C2(CC3C4(C2(CCC5C4CC(C67C5(C(=O)C=CC6O7)C)O)C)O3)O)O)C","TVXAZCZATSVBKL-UHFFFAOYSA-N",435962,NA,"PDBC37591","379695","Present",NA,NA
+"37592","Isoxanthopterin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoxanthopterin",NA,"C1=NC2=C(NC1=O)N=C(NC2=O)N","GLKCOBIIZKYKFN-UHFFFAOYSA-N",135398700,NA,"PDBC37592","118090","Present",NA,NA
+"37593","Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoxazole, 3-methyl-5-(1H-pyrrol-2-yl)-",NA,"CC1=NOC(=C1)C2=CC=CN2","RDYWXDGLHVIVTL-UHFFFAOYSA-N",392921,NA,"PDBC37593","694105","Present",NA,NA
+"37594","Isoxazolo[5,2,3-triazin-4(3H)-one, 3-(4-chlorophenyl)-5-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoxazolo[5,4-d]-1,2,3-triazin-4(3H)-one, 3-(4-chlorophe...",NA,"CC1=NOC2=C1C(=O)N(N=N2)C3=CC=C(C=C3)Cl","WAAQTRAHVAVRDT-UHFFFAOYSA-N",399226,NA,"PDBC37594","709900","Present",NA,NA
+"37595","Isoxazolyl-prodrug of distamycin (stallimycin)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isoxazolyl-prodrug of distamycin (stallimycin)",NA,"CCOC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)NC(=O)C4=C(ON=C4C5=CC=CC=C5)C","UQYDHAMNOJTJSL-UHFFFAOYSA-N",357929,NA,"PDBC37595","617595","Present",NA,NA
+"37596","Itacitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Itacitinib",NA,"C1CN(CCC1N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4)C(=O)C6=C(C(=NC=C6)C(F)(F)F)F","KTBSXLIQKWEBRB-UHFFFAOYSA-N",53380437,NA,"PDBC37596","792849","Present",NA,NA
+"37597","Italanafuchsine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azo Grenadine L",NA,"CC(=O)NC1=CC=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","WBYMUJVTIQEEOC-UHFFFAOYSA-N",135421960,NA,"PDBC37597","45200","Present",NA,NA
+"37598","Italicic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Italicic acid",NA,"CCCCC1(C=CC(=C2C(=O)C(=CC(=O)O)OC2=O)O1)C","NPKYNQPMKHIDCY-GGXBSVTOSA-N",5388581,NA,"PDBC37598","637142","Present",NA,NA
+"37599","Italicinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Italicinic acid",NA,"CCCCC(C)C=CC(=O)C1=C(C(=CC(=O)O)OC1=O)O","DPHXIYPTUGEXJY-VEQVDCDKSA-N",54679381,NA,"PDBC37599","637141","Present",NA,NA
+"37600","Itomanindole A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Itomanindole A",NA,"CSC1=C(NC2=C1C(=CC(=C2)Br)Br)S(=O)C","RPUHYZCTFRSRAR-UHFFFAOYSA-N",362040,NA,"PDBC37600","625547","Present",NA,NA
+"37601","Ivacaftor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ivacaftor",NA,"CC(C)(C)C1=C(C(=C(C=C1)NC(=O)C2=CC(=O)C3=CC=CC=C3N2)C(C)(C)C)O","LLDRUIYRPIIWSI-UHFFFAOYSA-N",125154537,NA,"PDBC37601","764778","Present",NA,NA
+"37602","Ivalbatin acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IVALBATIN ACETATE",NA,"CC1C(CC2C(C=C1CCC(=O)C)OC(=O)C2=C)OC(=O)C","HDGJZUYCLFNJBX-UHFFFAOYSA-N",324500,NA,"PDBC37602","290136","Present",NA,NA
+"37603","Ivalbin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ivalbin",NA,"CC1CC2C(CC=C1C(CC(C)O)O)C(=C)C(=O)O2","TVKYSIIBPQZNFW-UHFFFAOYSA-N",286755,NA,"PDBC37603","145904","Present",NA,NA
+"37604","Ivalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ivalin",NA,"CC12CC(CC(=C)C1CC3C(C2)OC(=O)C3=C)O","OVIILQQKQPCQTF-JYKNGBAOSA-N",257273,NA,"PDBC37604","85237","Present",NA,NA
+"37605","Ivosidenib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-120 (Ivosidenib)",NA,"ivosidenib",NA,NA,NA,NA,NA,"PDBC37605","789102","Present",NA,NA
+"37606","Ixoside, 10-methyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ixoside, 10-methyl",NA,"COC(=O)C1=CCC2C1C(OC=C2C(=O)O)OC3C(C(C(C(O3)CO)O)O)O","DKSFGHQZRXXSTP-YGJYQBNUSA-N",354980,NA,"PDBC37606","607773","Present",NA,NA
+"37607","Iyomycin A complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iyomycin A complex",NA,NA,NA,NA,NA,"PDBC37607","94217","Present",NA,NA
+"37608","Iyomycin B1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iyomycin B1",NA,NA,NA,NA,NA,"PDBC37608","83340","Present",NA,NA
+"37609","J-100034",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-100034",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC4=C(C=C(C=C4)O)OC3=O","CYONGLVNBSZCQH-UHFFFAOYSA-N",135426721,NA,"PDBC37609","711198","Present",NA,NA
+"37610","J-400634",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-400634",NA,"CSC1=CC(=NC(=C1)C2=CC=CC=N2)C3=CC=CC=N3","QKGHDDGIUNCPCQ-UHFFFAOYSA-N",385621,NA,"PDBC37610","676944","Present",NA,NA
+"37611","J-501875",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-501875",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)Cl","GTSKIPKSVPFFLB-JXMROGBWSA-N",5354553,NA,"PDBC37611","13151","Present",NA,NA
+"37612","J-501934",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-501934",NA,"C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)O","AZEHEBLLFINCCX-LREOWRDNSA-N",5468276,NA,"PDBC37612","667227","Present",NA,NA
+"37613","J3.493.451G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.493.451G",NA,"CC1=C(C2=CC=CC=C2N1)C3=CC(=O)N(C3=O)C4=CC=CC=C4","JJTLKPMPBAGFOR-UHFFFAOYSA-N",381770,NA,"PDBC37613","668842","Present",NA,NA
+"37614","J3.511.391F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.511.391F",NA,"CC1(C2CCC1(C(=O)C2=NC(C)(C)C)C)C","SFXLZDUFGRLXCV-UHFFFAOYSA-N",395321,NA,"PDBC37614","699803","Present",NA,NA
+"37615","J3.513.434D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.513.434D",NA,"CN1CCC2=CC(=C(C=C2C(O1)C(=C)C3=CC=CC=C3)OC)OC","XIPDQXDTQNIVFS-UHFFFAOYSA-N",383922,NA,"PDBC37615","672878","Present",NA,NA
+"37616","J3.519.474F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.519.474F",NA,"C1=CC=C(C=C1)CN(CCN2C(=O)C3=CC=CC=C3C2=O)CCN4C(=O)C5=CC=CC=C5C4=O","PLLNVXHAJVXNKA-UHFFFAOYSA-N",361763,NA,"PDBC37616","625029","Present",NA,NA
+"37617","J3.519.594G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.519.594G",NA,"C1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)C=C(C#N)C(=O)C4=CC=C(C=C4)Cl","UVAAAQSMOMGMPU-NBVRZTHBSA-N",54612751,NA,"PDBC37617","748870","Present",NA,NA
+"37618","J3.529.118K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.529.118K",NA,"C1=CC=C(C=C1)C(=CC2=CC=CS2)C(=O)C3=CC=CC=C3","LVXTZNNEHGXBMH-NBVRZTHBSA-N",5934664,NA,"PDBC37618","700244","Present",NA,NA
+"37619","J3.542.985I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.542.985I",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC=C(C=C2)C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C","VBADAZYLOHVWTQ-UHFFFAOYSA-N",386877,NA,"PDBC37619","679735","Present",NA,NA
+"37620","J3.547.609A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.547.609A",NA,"C=CCNC1=NC2=C(S1)C(=O)C3=CC=CC=C3C2=O","WYYBABIENBJOLM-UHFFFAOYSA-N",364763,NA,"PDBC37620","631522","Present",NA,NA
+"37621","J3.552.060K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.552.060K",NA,"C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C=C2)Cl)Cl)F","BEAYPINMCWLHNW-FPYGCLRLSA-N",19562967,NA,"PDBC37621","734471","Present",NA,NA
+"37622","J3.566.338J",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.566.338J",NA,"C=C(CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)F)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","CIXROPWNAJKHLB-UHFFFAOYSA-N",11619074,NA,"PDBC37622","733252","Present",NA,NA
+"37623","J3.571.933D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.571.933D",NA,"C1=CC=C(C(=C1)C(=O)C=CC2=CC=CC=N2)O","RKZYMHSZANCMPI-CMDGGOBGSA-N",5356047,NA,"PDBC37623","49651","Present",NA,NA
+"37624","J3.572.907K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.572.907K",NA,"C1=CC=C2C(=C1)C(C3N2C(=O)C4=CC=CC=C4N3)O","JQCPIZLOHIHHFG-UHFFFAOYSA-N",396709,NA,"PDBC37624","703318","Present",NA,NA
+"37625","J3.582.436G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.582.436G",NA,"CC1(OC(=O)C(=C2CCC(N2)OC)C(=O)O1)C","IHGNGPSYGRSHFJ-UHFFFAOYSA-N",367275,NA,"PDBC37625","636825","Present",NA,NA
+"37626","J3.585.877F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.585.877F",NA,"C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=CS4","VINZHXJVOFAMRY-UHFFFAOYSA-N",381137,NA,"PDBC37626","667455","Present",NA,NA
+"37627","J3.596.257C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.596.257C",NA,"CN(C)C1=CC=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)N(C)C","QWNDFMRIRKGHKE-KAVGSWPWSA-N",5936060,NA,"PDBC37627","666296","Present",NA,NA
+"37628","J3.600.858J",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.600.858J",NA,"C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","VBDMKQQPIZZLGR-FYWRMAATSA-N",2833828,NA,"PDBC37628","698369","Present",NA,NA
+"37629","J3.605.362C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.605.362C",NA,"C(CCCCC1=NNC(=S)O1)CCCC2=NNC(=S)O2","JDQBDYRFPFBELI-UHFFFAOYSA-N",2729454,NA,"PDBC37629","697173","Present",NA,NA
+"37630","J3.622.195J",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.622.195J",NA,"C1=CC=C2C(=C1)C(=CN2)C=CC(=O)C3=CC=CC=C3O","BNYXDAPVMGMJTA-MDZDMXLPSA-N",5933164,NA,"PDBC37630","614528","Present",NA,NA
+"37631","J3.628.409I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.628.409I",NA,"C1CC2(C=C(C(=O)C(=C2)Br)Br)OC1=O","UWFJJLVMISJSHR-UHFFFAOYSA-N",285494,NA,"PDBC37631","142475","Present",NA,NA
+"37632","J3.638.825K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.638.825K",NA,"C1C(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3C(=O)O","GTRFHPLFAYPTSD-UHFFFAOYSA-N",385698,NA,"PDBC37632","677044","Present",NA,NA
+"37633","J3.659.779H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.659.779H",NA,"CC12CCC3C(C1CC(=CC4=CC=C(C=C4)N(C)C)C2=O)CCC5=C3C=CC(=C5)OC","LDMKWZWZDAKONI-OEOINTFNSA-N",5470420,NA,"PDBC37633","701227","Present",NA,NA
+"37634","JAAZJUITWOKRKO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JAAZJUITWOKRKO-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C(=O)C3C(C2=O)C4C3C(=O)C5=CC=CC=C5C4=O","JAAZJUITWOKRKO-UHFFFAOYSA-N",361801,NA,"PDBC37634","625121","Present",NA,NA
+"37635","JAK inhibitor 17b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800445",NA,"COC1=C(C=C2C(=C1)C3=CN=C4C(=C3N(C2=O)CC5CCCCC5)C=CN4)OC","RSFALMGMTQBFJZ-UHFFFAOYSA-N",137321156,NA,"PDBC37635","800445","Present",NA,NA
+"37636","JB1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JB1",NA,NA,"CCCCC(CCO)C(C)C1CCC2C1(CCCC2CCC3=C(C(CC(C3)O)O)C)C","DHZOGFADXFKXSH-PMMQCNKASA-N",25150849,NA,"PDBC37636",NA,"Absent",NA,NA
+"37637","JBMCYARHKHSASM-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JBMCYARHKHSASM-UHFFFAOYSA-N",NA,"C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=C(C=C4)C(=O)NCC(=O)O)C=C(C=C2)[N+](=O)[O-])CCl","JBMCYARHKHSASM-UHFFFAOYSA-N",390670,NA,"PDBC37637","688301","Present",NA,NA
+"37638","JEKQTGLFMVGNGE-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JEKQTGLFMVGNGE-UHFFFAOYSA-N",NA,"CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C","JEKQTGLFMVGNGE-UHFFFAOYSA-N",387754,NA,"PDBC37638","681783","Present",NA,NA
+"37639","JKOAOORFAJWFIW-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JKOAOORFAJWFIW-UHFFFAOYSA-N",NA,"C1CC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO","JKOAOORFAJWFIW-UHFFFAOYSA-N",385223,NA,"PDBC37639","676336","Present",NA,NA
+"37640","JNJ 303",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNJ 303",NA,"CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)NS(=O)(=O)C)OC4=CC=C(C=C4)Cl","OSGIRCJRKSAODN-UHFFFAOYSA-N",73016713,NA,"PDBC37640","782308","Present",NA,NA
+"37641","JNJ-28312141 free base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNJ-28312141",NA,NA,"JNJ-28312141",NA,NA,NA,11676971,NA,"PDBC37641","754345","Present",NA,NA
+"37642","JNJ-3887618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNJ-3887618",NA,"C1=CC2=C(C=CC(=C2)C(C3=NN=C4N3N=C(C=C4)C5=CC=NC=C5)(F)F)N=C1","KOAWAWHSMVKCON-UHFFFAOYSA-N",57654476,NA,"PDBC37642","807626","Present",NA,NA
+"37643","JNJ-47117096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JNJ-47117096",NA,NA,NA,NA,NA,"PDBC37643","783272","Present",NA,NA
+"37644","JOUSFQISCOTOSZ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JOUSFQISCOTOSZ-UHFFFAOYSA-N",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC)NC(=O)C3=CC=CC=C3","JOUSFQISCOTOSZ-UHFFFAOYSA-N",383664,NA,"PDBC37644","672082","Present",NA,NA
+"37645","JPM-565 Sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JPM-565 Sodium salt",NA,"CC(C)CC(C(=O)NCCC1=CC=C(C=C1)O)NC(=O)C2C(O2)C(=O)O.[Na+]","ICQJNTIVWIYJAL-WDTSGDEMSA-N",54612707,NA,"PDBC37645","735210","Present",NA,NA
+"37646","JPM-OEt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JPM-OEt",NA,"CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)NCCC2=CC=C(C=C2)O","VRFYYTLIPKHELT-ULQDDVLXSA-N",11257859,NA,"PDBC37646","733269","Present",NA,NA
+"37647","JQ-35, (S)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JQ-35, (S)-",NA,"CC1=C(SC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NCCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl)C","PKQXLRYFPSZKDU-QFIPXVFZSA-N",54670351,NA,"PDBC37647","816555","Present",NA,NA
+"37648","JQTJAMXNMIMRDL-CMDGGOBGSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JQTJAMXNMIMRDL-CMDGGOBGSA-N",NA,"CC1=CC=C(C=C1)C=CC(=O)C(C)C","JQTJAMXNMIMRDL-CMDGGOBGSA-N",5918629,NA,"PDBC37648","651747","Present",NA,NA
+"37649","JS-3002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JS-3002",NA,"CC1=C(C(=CC=C1)C(C)C)NC(=O)CCl","MELPBOXLVQNGPR-UHFFFAOYSA-N",360283,NA,"PDBC37649","622317","Present",NA,NA
+"37650","JS-K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JS-K",NA,"CCOC(=O)N1CCN(CC1)[N+](=NOC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[O-]","DNJRNBYZLPKSHV-RGEXLXHISA-N",9572720,NA,"PDBC37650","724771","Present",NA,NA
+"37651","JTC-801 free base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791462",NA,"CCC1=CC=C(C=C1)OCC2=CC=CC=C2C(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N","VTGBZWHPJFMTKS-UHFFFAOYSA-N",5311340,NA,"PDBC37651","791462","Present",NA,NA
+"37652","JUNCUSOL DERIV (COMPOUND 1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JUNCUSOL DERIV (COMPOUND 1)",NA,"C[N+](C)(CC1=C(C=C2CCC3=CC=CC=C3C2=C1)OC)CSC4=CC=CC=C4.[Br-]","DZCJDDQISGMFGR-UHFFFAOYSA-M",24200489,NA,"PDBC37652","378135","Present",NA,NA
+"37653","JVTPPBDUXQMTCU-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JVTPPBDUXQMTCU-UHFFFAOYSA-N",NA,"CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C)C","JVTPPBDUXQMTCU-UHFFFAOYSA-N",387801,NA,"PDBC37653","681873","Present",NA,NA
+"37654","JZ1U5IKG44",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JZ1U5IKG44",NA,"C1CCC2=C(C1)C(=NN2)CC3CC(=O)NC(=O)C3","UBBPYSBRGBQMLR-UHFFFAOYSA-N",270048,NA,"PDBC37654","112141","Present",NA,NA
+"37655","Jaborosalactone D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acnistoferin",NA,"CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)CO","LDWRZKAVHDHGID-VZGLNVPESA-N",268947,NA,"PDBC37655","109439","Present",NA,NA
+"37656","Jacaranone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"jacaranone",NA,"COC(=O)CC1(C=CC(=O)C=C1)O","WJZSKNRPRWCLLK-UHFFFAOYSA-N",73307,NA,"PDBC37656","251682","Present",NA,NA
+"37657","Jacobine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jacobine",NA,"CC1CC2(C(O2)C)C(=O)OC3CCN4C3C(=CC4)COC(=O)C1(C)O","IAPHXJRHXBQDQJ-YLFNNMARSA-N",6712947,NA,"PDBC37657","89936","Present",NA,NA
+"37658","Jaconine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"jaconine hydrochloride",NA,"CC1CC(C(=O)OC2CCN3C2C(=CC3)COC(=O)C1(C)O)(C(C)Cl)O.Cl","AOFLJXYFSXFMOL-QTUOXSIISA-N",5351514,NA,"PDBC37658","30624","Present",NA,NA
+"37659","Janus Red B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"janus red",NA,"CC1=C(C=CC(=C1)N=NC2=C(C=CC3=CC=CC=C32)O)N=NC4=CC(=CC=C4)[N+](C)(C)C","FZIVLAIWGJAHRT-UHFFFAOYSA-O",407803,NA,"PDBC37659","9609","Present",NA,NA
+"37660","Janus green B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"janus green v",NA,"CCN(CC)C1=CC2=[N+](C3=C(C=CC(=C3)N=NC4=CC=C(C=C4)N(C)C)N=C2C=C1)C5=CC=CC=C5.[Cl-]","XXACTDWGHQXLGW-UHFFFAOYSA-M",76123,NA,"PDBC37660","13986","Present",NA,NA
+"37661","Japodagrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Japodagrol",NA,"CC1CC2C(C2(C)C)CCC(C=C3C(=O)C(=CC3(C1=O)O)C)(C)O","FBVWSXCVYVNYII-MGXMGDQBSA-N",11969873,NA,"PDBC37661","631742","Present",NA,NA
+"37662","Jasplakinolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jaspamide",NA,"CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC(=C1)C)C)C)C)CC2=C(NC3=CC=CC=C32)Br)C4=CC=C(C=C4)O)C","GQWYWHOHRVVHAP-DHKPLNAMSA-N",9831636,NA,"PDBC37662","613009","Present",NA,NA
+"37663","Jasplakinolide epoxide C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jasplakinolide epoxide C",NA,"CC1CC(OC(=O)CC(NC(=O)C(N(C(=O)C(NC(=O)C(CC2(C1O2)C)C)C)C)CC3=C(NC4=CC=CC=C43)Br)C5=CC=C(C=C5)O)C","VMIIVZLUGYTWOR-CFTVTNDJSA-N",372550,NA,"PDBC37663","647763","Present",NA,NA
+"37664","Jatrophatrione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jatrophatrione",NA,"CC1CC2C(=C1)C=C(C(=O)CC3C(CC(=O)C3(C2=O)C)(C)C)C","TYBGBKQPLBAYQG-QUQIGMKXSA-N",5358455,NA,"PDBC37664","254668","Present",NA,NA
+"37665","Jatrophone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"jatrophon",NA,"CC1CC23C(=C1)C=C(C(=O)C=CC(CC(=C(C2=O)C)O3)(C)C)C","MJNNONLDVCCGCA-NNFBGVLYSA-N",5281373,NA,"PDBC37665","135037","Present",NA,NA
+"37666","Jatrorrhizine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"jatrorrhizine",NA,"COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)O)OC)OC.[I-]","OZWLOJDPSVFYPW-UHFFFAOYSA-N",5459338,NA,"PDBC37666","93137","Present",NA,NA
+"37667","Java Red A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"java red a",NA,"C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=C(C=CC4=C3C=CC(=C4)S(=O)(=O)O)O.[Na+]","ILTGBRCWJYLHTC-UHFFFAOYSA-N",135422168,NA,"PDBC37667","58047","Present",NA,NA
+"37668","Jayama",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jayama",NA,NA,NA,NA,NA,"PDBC37668","645019","Present",NA,NA
+"37669","Jerantinine A Acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (5a,12b,19a)-15-acetoxy-16-methoxy-2,3,6,7-tetrad...",NA,"CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=CC(=C(C=C5N3)OC)OC(=O)C)C(=O)OC","IMCYDSFSAPKANT-HJOGWXRNSA-N",25058087,NA,"PDBC37669","783516","Present",NA,NA
+"37670","Jereisterol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jereisterol A",NA,"CC(C)C(C)CCC(C)C1CCC2C1(CC=C3C4(CCC(CC4CC=C2O3)OC)C)C","WMBAZILIIIRGQT-RASSUYBHSA-N",373981,NA,"PDBC37670","651014","Present",NA,NA
+"37671","Jervine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Iervin",NA,"CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)O)C)NC1","CLEXYFLHGFJONT-DNMILWOZSA-N",10098,NA,"PDBC37671","7520","Present",NA,NA
+"37672","Jineol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jineol",NA,"C1=CC2=CC(=CN=C2C(=C1)O)O","IGDFDIZIHMFYGR-UHFFFAOYSA-N",177338,NA,"PDBC37672","694081","Present",NA,NA
+"37673","Jiuhuanin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jiuhuanin B",NA,"CC(=O)OC1CCC(C2C1(C3CC(C4C(C3(C(C2)OC(=O)C)C(=O)C4=C)OC(=O)C)OC(=O)C)C)(C)C","PHWSRBJBPGOZRJ-FRFALCNYSA-N",367619,NA,"PDBC37673","637461","Present",NA,NA
+"37674","Jolkinolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jolkinolide A",NA,"CC1=C2C3C4(O3)CCC5C(CCCC5(C4C=C2OC1=O)C)(C)C","OYXDHOVYZKWSRM-PHJMNMFVSA-N",161953,NA,"PDBC37674","700085","Present",NA,NA
+"37675","Jolkinolide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jolkinolide B",NA,"CC1=C2C3C4(O3)CCC5C(CCCC5(C4C6C2(O6)OC1=O)C)(C)C","SOVOCMGDFRGRKF-MCDHERAVSA-N",161954,NA,"PDBC37675","700087","Present",NA,NA
+"37676","Julimycin B2, calcium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"julimycin b2",NA,"CC(C1C2=C(C(=O)CC1(C)O)C(=O)C3=C(C2=O)C=CC(=C3O)C4=C(C5=C(C=C4)C(=O)C6=C(C5=O)C(=O)CC(C6C(C)OC(=O)C)(C)O)O)OC(=O)C","JGYMCVKOAWXEOB-UHFFFAOYSA-N",429117,NA,"PDBC37676","248605","Present",NA,NA
+"37677","Juncusol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JUNCUSOL",NA,"CC1=C(C=CC2=C1CCC3=CC(=C(C(=C32)C=C)C)O)O","XNVMKPYDOHZJLR-UHFFFAOYSA-N",72740,NA,"PDBC37677","220968","Present",NA,NA
+"37678","Jusmicranthin ethyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Jusmicranthin ethyl ether",NA,"CCOC1C2=C(C=C3C=CC4=C(C3=C2C5=CC6=C(C=C5)OCO6)OCO4)C(=O)O1","JJXCEOLNFSCNNE-UHFFFAOYSA-N",398934,NA,"PDBC37678","709246","Present",NA,NA
+"37679","Justine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Justine",NA,"CCCCN1C(=O)C2CC3=C(C(N2C1=O)C4=CC(=CC=C4)O)NC5=CC=CC=C35","IDGCPAFIELNTPI-UHFFFAOYSA-N",402923,NA,"PDBC37679","717309","Present",NA,NA
+"37680","Juvenate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Juvenate",NA,"CC(=CCCC(=CC(=O)OC)C)CCC1C(O1)(C)C","QVJMXSGZTCGLHZ-ZPLWXOMKSA-N",5367549,NA,"PDBC37680","688246","Present",NA,NA
+"37681","K 31",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"K 31",NA,"CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)NC)OC)N4C)N","HDNPUSAWWBZZNX-UHFFFAOYSA-N",281830,NA,"PDBC37681","134723","Present",NA,NA
+"37682","K 33",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"K 33",NA,"CCNC(=O)OCC1C2=C(C(=O)C(=C(C2=O)N)C)N3C1(C4C(C3)N4C)OC","IKZZDSVQVJQNSV-UHFFFAOYSA-N",281832,NA,"PDBC37682","134725","Present",NA,NA
+"37683","KACHONGZICJHPM-KRWCAOSLSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KACHONGZICJHPM-KRWCAOSLSA-N",NA,"CCOC(=O)COC1=CC=CC=C1C=C2CCC(C2=O)CN(C)C.Cl","KACHONGZICJHPM-KRWCAOSLSA-N",5387760,NA,"PDBC37683","626875","Present",NA,NA
+"37684","KALMIA LATIFOLIA, FROM (B668072 - A DIHYDROCHALCONE)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KALMIA LATIFOLIA, FROM (B668072 - A DIHYDROCHALCONE)",NA,"C1=CC(=C(C=C1CCC(=O)C2=C(C(=C(C=C2)O)O)O)O)O","CISQVWHIYYYZMR-UHFFFAOYSA-N",73059,NA,"PDBC37684","309121","Present",NA,NA
+"37685","KAUREN-19-OIC ACID",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KAUREN-19-OIC ACID",NA,"CC12CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O","NIKHGUQULKYIGE-UHFFFAOYSA-N",433869,NA,"PDBC37685","339145","Present",NA,NA
+"37686","KC 1260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KC 1260",NA,"CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CCC)OC(=O)CCC","PBICKNLZVRHBCU-UHFFFAOYSA-N",3521514,NA,"PDBC37686","76955","Present",NA,NA
+"37687","KC 515",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KC 515",NA,"CSC1=NC(=C(C(=N1)Cl)Br)SC2=NC(=NC3=C2NC=N3)N","HCIPRXPENNHLHS-UHFFFAOYSA-N",460513,NA,"PDBC37687","52383","Present",NA,NA
+"37688","KC 516",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KC 516",NA,"CCSC1=NC=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br","XEKFXTFUGWUZSY-UHFFFAOYSA-N",5228354,NA,"PDBC37688","52384","Present",NA,NA
+"37689","KC 60",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KC 60",NA,"C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)Br","CQNRHAOUJJONJK-UHFFFAOYSA-N",238016,NA,"PDBC37689","42138","Present",NA,NA
+"37690","KC-1303",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KC-1303",NA,"COC1=CC(=CC(=C1OCCCNC2=CC=C(C=C2)[N+](=O)[O-])OC)CC3=CN=C(N=C3N)N","CNCZXJNXDKNYKA-UHFFFAOYSA-N",391102,NA,"PDBC37690","689720","Present",NA,NA
+"37691","KCN-Tb109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KCN-Tb109",NA,"CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C3CC(CCN3C)O)OC(=O)C","XXHGNNXHWZYAPM-DQJZIKQUSA-N",155815078,NA,"PDBC37691","797908","Present",NA,NA
+"37692","KG2YKA51DD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KG2YKA51DD",NA,"C1CSCC2=CC=C(S2)CSCCS1","GFFSEQUFOHFBGI-UHFFFAOYSA-N",373749,NA,"PDBC37692","650649","Present",NA,NA
+"37693","KGIPRPGSWXIOOJ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KGIPRPGSWXIOOJ-UHFFFAOYSA-N",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C)NC(=O)OCC","KGIPRPGSWXIOOJ-UHFFFAOYSA-N",384778,NA,"PDBC37693","675214","Present",NA,NA
+"37694","KH-CARB10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KH-CARB10",NA,"CN1CCC2(CC1)C(C3=C(C(=O)N2)N(C4=C3C=CC(=C4Cl)Cl)C)C#N","XGUIMGJMQKZRGM-UHFFFAOYSA-N",56946086,NA,"PDBC37694","745321","Present",NA,NA
+"37695","KH-CARB13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KH-CARB13",NA,"CN1C2=C(C=CC(=C2Cl)Cl)C3=C1C(=O)NC4(C3C#N)CCNCC4","OWAWOKKHZNRHGV-UHFFFAOYSA-N",54613583,NA,"PDBC37695","748497","Present",NA,NA
+"37696","KHK-Indazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KHK-Indazole",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C=CC3=NNC4=CC=CC=C43","FYOCRMHCTFYOPQ-CCEZHUSRSA-N",68999822,NA,"PDBC37696","761931","Present",NA,NA
+"37697","KI20227",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KI20227",NA,NA,NA,NA,NA,NA,9869779,NA,"PDBC37697",NA,"Absent",NA,NA
+"37698","KJAJGFQWPNSYEW-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KJAJGFQWPNSYEW-UHFFFAOYSA-N",NA,"CCN=C1NC2=C(C=C(C=C2)Cl)C(=NN1)C3=CC=CC=C3","KJAJGFQWPNSYEW-UHFFFAOYSA-N",135503448,NA,"PDBC37698","633212","Present",NA,NA
+"37699","KKIQVSBZFBKASX-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KKIQVSBZFBKASX-UHFFFAOYSA-N",NA,"CC1(CC(=C)C(=O)O1)COC2=CC(=O)OC3=CC=CC=C32","KKIQVSBZFBKASX-UHFFFAOYSA-N",381513,NA,"PDBC37699","668269","Present",NA,NA
+"37700","KLXOIVABBVGCQQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KLXOIVABBVGCQQ-UHFFFAOYSA-N",NA,"CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C3=CC=CC=C3","KLXOIVABBVGCQQ-UHFFFAOYSA-N",387757,NA,"PDBC37700","681786","Present",NA,NA
+"37701","KNI-272",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KNI-272",NA,"CC(C)(C)NC(=O)C1CSCN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C(CSC)NC(=O)COC3=CC=CC4=C3C=CN=C4)O","NJBBLOIWMSYVCQ-OKHMJZBSSA-N",374224,NA,"PDBC37701","651714","Present",NA,NA
+"37702","KPQDGYRDIJDARD-XCVCLJGOSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KPQDGYRDIJDARD-XCVCLJGOSA-N",NA,"C1=CC(=CC=C1C=CC2=NC(=C(C(=N2)Cl)C3=CC=C(C=C3)Cl)Cl)Cl","KPQDGYRDIJDARD-XCVCLJGOSA-N",5373789,NA,"PDBC37702","154389","Present",NA,NA
+"37703","KPT-251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KPT-251",NA,"C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C2=NN(C=N2)C=CC3=NN=CO3","LDFXTRYMMZGKIC-UPHRSURJSA-N",57519758,NA,"PDBC37703","773260","Present",NA,NA
+"37704","KSD 2240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KSD 2240",NA,"C1CC2CCCC(C1)N2CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O","HNVBUDCGAROXSW-UHFFFAOYSA-N",16159,NA,"PDBC37704","665682","Present",NA,NA
+"37705","KTJSEZXWMADWSE-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KTJSEZXWMADWSE-UHFFFAOYSA-N",NA,"CC1CC(=NC2=CC=CC=C2S1)C3=CC=C(C=C3)OC","KTJSEZXWMADWSE-UHFFFAOYSA-N",367268,NA,"PDBC37705","636817","Present",NA,NA
+"37706","KUC100204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KUC100204",NA,"CC(=O)NC1=CC2=C(C=C1)NC(=CC2=O)C3=CC(=CC=C3)OC","XMMCHNWXMDDRGJ-UHFFFAOYSA-N",378309,NA,"PDBC37706","660313","Present",NA,NA
+"37707","KUC100255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KUC100255",NA,"COC1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=CC(=C3)Cl","RJLIRWCQLYBRNB-UHFFFAOYSA-N",372267,NA,"PDBC37707","647323","Present",NA,NA
+"37708","KUC100260N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KUC100260N",NA,"COC1=CC=C(C=C1)C2=CC(=O)C3=C(N2)C=C(C=C3)F","CKKNQZFHAOVUDZ-UHFFFAOYSA-N",372268,NA,"PDBC37708","647324","Present",NA,NA
+"37709","KUC105261N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KUC105261N",NA,"C1=CC(=CC=C1NC(=O)NN2C=NN=C2)[N+](=O)[O-]","WXDUQXBMDFVQDS-UHFFFAOYSA-N",393650,NA,"PDBC37709","695915","Present",NA,NA
+"37710","KVBOYRGBQZBEGQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KVBOYRGBQZBEGQ-UHFFFAOYSA-N",NA,"C1=CC(=C(C=C1NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F)Cl)F","KVBOYRGBQZBEGQ-UHFFFAOYSA-N",389155,NA,"PDBC37710","684839","Present",NA,NA
+"37711","KZVLPMDBDAWKQQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KZVLPMDBDAWKQQ-UHFFFAOYSA-N",NA,"C1COC2=NC(=O)C3=NSN=C3N21","KZVLPMDBDAWKQQ-UHFFFAOYSA-N",374796,NA,"PDBC37711","653042","Present",NA,NA
+"37712","Kadsuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kadsuric acid",NA,"CC(CCC=C(C)C(=O)O)C1CCC2(C1(CC=C3C2CCC(C3(C)CCC(=O)O)C(=C)C)C)C","JGNPDWQZTUZFHK-LYNKRMMFSA-N",5384417,NA,"PDBC37712","330514","Present",NA,NA
+"37713","Kaempferol 3-O-(2,6-di-O-alpha-L-rhamnopyranosyl)-beta-D-galactopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kaempferol 3-O-(2,6-di-O-.alpha.-L-rhamnopyranosyl)-.bet...",NA,"CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(C(C(O6)C)O)O)O)O)O)O)O)O","WRXVPTMENPZUIZ-UHFFFAOYSA-N",5459192,NA,"PDBC37713","641258","Present",NA,NA
+"37714","Kalafungin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kalamycin",NA,"CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C2=O)C(=CC=C4)O","XUWPJKDMEZSVTP-UHFFFAOYSA-N",283138,NA,"PDBC37714","137443","Present",NA,NA
+"37715","Kalihinol Y",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kalihinol Y",NA,"CC1(C(CCC(O1)(C)C2CCC(=C)C3C2C(C(CC3)(C)O)[N+]#[C-])Cl)C","WNCZWKCUIVEIGJ-ZWOJUXLASA-N",6711942,NA,"PDBC37715","647641","Present",NA,NA
+"37716","Kallolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kallolide A",NA,"CC1=C2C(C(CCC3=CC(C(C(=C1)O2)C(=C)C)OC3=O)C(=C)C)O","FUKVJHCKIJOHPW-RANZSIQMSA-N",394352,NA,"PDBC37716","697736","Present",NA,NA
+"37717","Karajinone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Karajinone A",NA,"CC1CC2(C(C1OC(=O)C)C(C34COC(C3C5C(C5(C)COC(=O)C)CC4OC(=O)C6=CC=CC=C6)(C2=O)C)OC(=O)C)OC(=O)C","HBLTZTMUODEVKI-FKTGXNKUSA-N",398944,NA,"PDBC37717","709312","Present",NA,NA
+"37718","Karajinone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Karajinone B",NA,"CC1CC2(C(C1OC(=O)C)C(C34COC(C3C5C(C5(C)COC(=O)C)CC4OC(=O)C6=CC=CC=C6)(C2=O)C)OC(=O)C)O","XEBNGXVAVDMLCS-HDHXJADUSA-N",398945,NA,"PDBC37718","709313","Present",NA,NA
+"37719","Karenitecin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Karenitecin",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)CC[Si](C)(C)C)O","POADTFBBIXOWFJ-VWLOTQADSA-N",148202,NA,"PDBC37719","710270","Present",NA,NA
+"37720","Kargp",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kaempferol-3-O-[.beta.-D-apiofuranosyl(1-2)-.alpha.-rham...",NA,"CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)OC6C(C(CO6)(CO)O)O)O)O)O)O)O","PXDYLXHBUIPSMK-UHFFFAOYSA-N",5465152,NA,"PDBC37720","641259","Present",NA,NA
+"37721","Karounidiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Karounidiol",NA,"CC1(C(CCC2(C1CC=C3C2=CCC4(C3(CCC5(C4CC(CC5)(C)CO)C)C)C)C)O)C","UIXJVDGAGQPTFR-ZSBHZPGCSA-N",159490,NA,"PDBC37721","705536","Present",NA,NA
+"37722","Kasuagamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"d-Inositol",NA,"CC1C(CC(C(O1)OC2C(C(C(C(C2O)O)O)O)O)N)N=C(C(=O)O)N","PVTHJAPFENJVNC-UHFFFAOYSA-N",265071,NA,"PDBC37722","100858","Present",NA,NA
+"37723","Kauranol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kauranol",NA,NA,NA,NA,NA,"PDBC37723","264878","Present",NA,NA
+"37724","Kauroic acid, methyl-ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KAUROIC ACID, DERIV, METHYL-ESTER",NA,"CC12CCCC(C1CCC34C2CCC(C3)C(=C4)CO)(C)C(=O)OC","IURJXDRUVNGNGB-UHFFFAOYSA-N",434932,NA,"PDBC37724","360861","Present",NA,NA
+"37725","Kayaku Direct Scarlet B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"erie scarlet b",NA,"CCOC1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=CC=C(C=C3)N=NC4=C(C=CC5=CC(=CC(=C54)S(=O)(=O)O)S(=O)(=O)O)O","WFDQLHCSKAIOER-UHFFFAOYSA-N",165135,NA,"PDBC37725","47744","Present",NA,NA
+"37726","Kedarcidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kedarcidin",NA,"CC1C(C(CC(O1)OC2COC(=O)C(CC3=NC(=C(C=C3)OC4C=C5C#CC2=CC#CC6C5(C4OC7CC(C(C(O7)C)O)(C)O)O6)Cl)NC(=O)C8=C(C=C9C=C(C(=C(C9=C8)OC)OC)OC(C)C)O)O)N(C)C","GFTRTMUGNRZABD-VQJYGPLWSA-N",5466986,NA,"PDBC37726","646276","Present",NA,NA
+"37727","Keenamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Keenamide A",NA,"CCC(C)C1C(=O)N2CCCC2C(=O)NCC(=O)NC(C(=O)NC(C3=NC(CS3)C(=O)N1)CC(C)C)COC(C)(C)C=C","FCGBWFPYRURNCX-GIBQRDCBSA-N",391587,NA,"PDBC37727","691042","Present",NA,NA
+"37728","Kendomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kendomycin",NA,"CC1CCC2C(C(C(C(O2)C3=C(C(=O)C(=C4C3=CC(O4)(C(CC(CC(=C1)C)C)C)O)C)O)C)O)C","HKLDUJXJTQJSEJ-OLXNOMCWSA-N",5472093,NA,"PDBC37728","716244","Present",NA,NA
+"37729","Kerriamycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC372208///NSC606397",NA,"CC1C(CCC(O1)OC23C(=O)CC(CC2(C=CC4=C3C(=O)C5=C(C4=O)C(=C(C=C5)C6CC(C(C(O6)C)O)OC7CCC(C(O7)C)OC8CC(C(C(O8)C)O)O)O)O)(C)O)O","FJSYXNOFZQFOAN-UHFFFAOYSA-N",340932,NA,"PDBC37729","372208///606397","Present",NA,NA
+"37730","Ketone, methyl 2-pyridyl, 4,4-dimethyl-3-thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiosemicarbazone r",NA,"CC(=NNC(=S)N(C)C)C1=CC=CC=N1","ZMZIYBQONAEPNV-XYOKQWHBSA-N",5843399,NA,"PDBC37730","319725","Present",NA,NA
+"37731","Khasianine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Khasianine",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)C)C)C)NC1","KRQDMAXNTWLTDZ-KCNAIUQRSA-N",341948,NA,"PDBC37731","376459","Present",NA,NA
+"37732","Khellactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Visnagan",NA,"CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)O)C","HKXQUNNSKMWIKJ-UHFFFAOYSA-N",253856,NA,"PDBC37732","77209","Present",NA,NA
+"37733","Kidamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC143094///NSC295565",NA,"CC=C(C)C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4C5CC(C(C(O5)C)O)N(C)C)C6CC(C(C(O6)C)O)(C)N(C)C)O","MFTJRTUKCOVIMD-GZTJUZNOSA-N",5359060,NA,"PDBC37733","143094///295565","Present",NA,NA
+"37734","Kidamycin, acetyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetylkidamycin",NA,"CC=C(C)C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3(OC)OC(=O)C)C(=C(C=C4C5CC(C(C(O5)C)OC(=O)C)N(C)C)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)O","XYJIEMFSVFBJNI-RCCKNPSSSA-N",5913405,NA,"PDBC37734","143093","Present",NA,NA
+"37735","Kihadalactone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kihadalactone A",NA,"CC(=O)OC1CC2C(OC(=O)CC(C2(C3C1(C4=CCC(C4(CC3)C)C5=COC=C5)C)C)OC(=O)C)(C)C","ONWYJKOVGIGNQN-UOXTVKHISA-N",374817,NA,"PDBC37735","653154","Present",NA,NA
+"37736","Kihadalactone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kihadalactone B",NA,"CC(=O)OC1CC2C(OC(=O)CC(C2(C3C1(C4=CCC(C4(CC3)C)C5CC(=O)OC5)C)C)OC(=O)C)(C)C","HJPHEKIKOJMFTJ-YPZQBJONSA-N",374818,NA,"PDBC37736","653155","Present",NA,NA
+"37737","Kijanimicin deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kijanimicin deriv",NA,"CC1CC(C(C2C1C3(C(C=C2)C(=CCC(C(=CC4C=C(C(CC45C(=O)C(=C3O)C(=O)O5)C)CO)C)OC6CC(C(C(O6)C)NC(=O)OC)(C)[N+](=O)[O-])C)C)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC)O)O)C","OQCJHHCTOPGJEH-WYHCVXCHSA-N",54724665,NA,"PDBC37737","363182","Present",NA,NA
+"37738","Kijanimicin sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kijanimicin sodium salt",NA,"CC1CC(C(C2C1C3(C(C=C2)C(=CCC(C(=CC4C=C(C(CC45C(=O)C(=C3O)C(=O)O5)C)CO)C)OC6CC(C(C(O6)C)NC(=O)OC)(C)[N+](=O)[O-])C)C)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC9CC(C(C(O9)C)OC)O)OC1CC(C(C(O1)C)O)O)C","LKSBZILVASNBPF-COHDPUJKSA-N",54707591,NA,"PDBC37738","329515","Present",NA,NA
+"37739","Kikubasaponin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kikubasaponin",NA,"CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC","LOSNTJHBTWBJCC-UOJDEKDCSA-N",6712587,NA,"PDBC37739","698792","Present",NA,NA
+"37740","Kinamycin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kinamycin C",NA,"CC(=O)OC1C(C(C(C2=C1C3=C(C2=[N+]=[N-])C(=O)C4=C(C3=O)C=CC=C4O)OC(=O)C)(C)O)OC(=O)C","MXDLFLPONIABIS-OLKYXYMISA-N",135430800,NA,"PDBC37740","138425","Present",NA,NA
+"37741","Kirromycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mocimycin",NA,"CCC(C(=O)NCC=CC=C(C)C(C(C)C1C(C(C(O1)C=CC=CC=C(C)C(=O)C2=C(C=CNC2=O)O)O)O)OC)C3(C(C(C(C(O3)C=CC=CC)(C)C)O)O)O","HMSYAPGFKGSXAJ-GFNGQHCCSA-N",135452521,NA,"PDBC37741","316094","Present",NA,NA
+"37742","Kiteplatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kiteplatin",NA,NA,NA,NA,NA,"PDBC37742","785119","Present",NA,NA
+"37743","Kn-93",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KN-93",NA,NA,"CN(CC=CC1=CC=C(C=C1)Cl)CC2=CC=CC=C2N(CCO)S(=O)(=O)C3=CC=C(C=C3)OC","LLLQTDSSHZREGW-AATRIKPKSA-N",5312122,NA,"PDBC37743",NA,"Absent",NA,NA
+"37744","Knightol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Knightol",NA,"CC1=CCCC2(C(O2)CCC(=CCC(CC1)C(=C)C)CO)C","IARQGWSRSWYGLX-HHZYLZNASA-N",44480981,NA,"PDBC37744","740134","Present",NA,NA
+"37745","Kodak CD-3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cd-iii",NA,"CCN(CCNS(=O)(=O)C)C1=CC(=C(C=C1)N)C.OS(=O)(=O)O","CLJDCQWROXMJAZ-UHFFFAOYSA-N",13076776,NA,"PDBC37745","164932","Present",NA,NA
+"37746","Kodocytochalasin 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cytochalasin H",NA,"CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O","NAEWXXDGBKTIMN-BBXOWAOSSA-N",5351303,NA,"PDBC37746","305222","Present",NA,NA
+"37747","Kombetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"uabaina",NA,"CC1C(C(C(C(O1)OC2CC(C3(C4C(CCC3(C2)O)C5(CCC(C5(CC4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O","LPMXVESGRSUGHW-UHFFFAOYSA-N",4605,NA,"PDBC37747","25485","Present",NA,NA
+"37748","Koningic Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Koningic Acid",NA,"CC(C)C1CCC2(CO2)C3C1C=C(COC3=O)C(=O)O","JESMSCGUTIEROV-ASHKBJFXSA-N",124511146,NA,"PDBC37748","785352","Present",NA,NA
+"37749","Koninginin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Koninginin A",NA,"CCCCCCC1C2CCC3C(CCC(C3(O2)O1)O)O","GBDGOAVPCDIMFE-UHFFFAOYSA-N",386851,NA,"PDBC37749","679585","Present",NA,NA
+"37750","Kottamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kottamide A",NA,"CCC(C)C1=NC(NC1=O)(C(C)C)C(=O)NC=CC2=CNC3=CC(=C(C=C32)Br)Br","APCCRXVVDURQKU-SREVYHEPSA-N",10029762,NA,"PDBC37750","722376","Present",NA,NA
+"37751","Kryptocyanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cryptocyanin",NA,"CCN1C=CC(=CC=CC2=CC=[N+](C3=CC=CC=C23)CC)C4=CC=CC=C41.[I-]","CEJANLKHJMMNQB-UHFFFAOYSA-M",16219292,NA,"PDBC37751","34391","Present",NA,NA
+"37752","KuWal151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-chlorophenyl)-6,7-dihydropyrrolo[3,4-g]indol-8(1H)-one",NA,"C1C2=C(C3=C(C=C2)C(=CN3)C4=CC(=CC=C4)Cl)C(=O)N1","XZCWNSGWBUAUOO-UHFFFAOYSA-N",138991772,NA,"PDBC37752","795194","Present",NA,NA
+"37753","Kuanoniamine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrido[4,3,2-mn]thiazolo[4,5-b]acridin-9-one",NA,"C1=CC=C2C(=C1)C3=C4C(=NC=C3)C5=C(C(=O)C4=N2)SC=N5","SABDUJMZZVLRAS-UHFFFAOYSA-N",390989,NA,"PDBC37753","689297","Present",NA,NA
+"37754","Kuanoniamine C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kuanoniamine C",NA,"CCC(=O)NCCC1=C2C3=C(C=CN=C3C4=C1SC=N4)C5=CC=CC=C5N2","OHRPKUDJMIHDKF-UHFFFAOYSA-N",397485,NA,"PDBC37754","705533","Present",NA,NA
+"37755","Kumusine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kumusine",NA,"CC1C(C(C(O1)N2C=NC3=C(N=C(N=C32)Cl)N)(C)O)O","VGXNTNGMCOCQAZ-UHFFFAOYSA-N",387981,NA,"PDBC37755","682347","Present",NA,NA
+"37756","Kusaginin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kusaginin",NA,"CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O","FBSKJMQYURKNSU-QPJJXVBHSA-N",5459010,NA,"PDBC37756","603831","Present",NA,NA
+"37757","Kushenol N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kushenol N",NA,"CC(=CCC(CC1=C2C(=C(C=C1O)OC)C(=O)C(C(O2)C3=C(C=C(C=C3)O)O)O)C(=C)C)C","QKEDJCCCNZWOBS-UHFFFAOYSA-N",381851,NA,"PDBC37757","668937","Present",NA,NA
+"37758","Kwells",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hysco",NA,"CN1C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4.Br","WTGQALLALWYDJH-AKTDCHNFSA-N",22833499,NA,"PDBC37758","61806","Present",NA,NA
+"37759","Kyselina o-tosyl-h",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kyselina o-tosyl-h (czech)",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC3=CC(=CC(=C32)N)S(=O)(=O)O)S(=O)(=O)O","ZIQWUYNDHGXLIN-UHFFFAOYSA-N",23270,NA,"PDBC37759","16168","Present",NA,NA
+"37760","L(+)-Tartaric acid, bis(cinnamylidenehydrazide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"l(+)-tartaric acid, bis(cinnamylidenehydrazide)",NA,"C1=CC=C(C=C1)C=CC=NNC(=O)C(C(C(=O)NN=CC=CC2=CC=CC=C2)O)O","LIXQPTNMBCCLLW-CUBIQFJTSA-N",9561534,NA,"PDBC37760","57886","Present",NA,NA
+"37761","L-2'-DEOXYURIDINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-2'-DEOXYURIDINE",NA,"CN(CC1=C(C(=CC(=C1)Br)Br)O)CC2=C(C=CC3=CC=CC=C32)O","MDGLBXLWXXWTIJ-UHFFFAOYSA-N",259176,NA,"PDBC37761","88852","Present",NA,NA
+"37762","L-2-Amino-3-guanidinopropionic acid hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC334940",NA,"C(C(C(=O)O)N)N=C(N)N.Cl","ZOXYHKHLLCDEAX-UHFFFAOYSA-N",24199565,NA,"PDBC37762","334940","Present",NA,NA
+"37763","L-Alanine, dicyclohexylamine (salt)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Alanine, N-[N-[[(4-methoxyphenyl)azo]carbonyl]- L-leuc...",NA,"CC(C)CC(C(=O)NC(C)C(=O)O)NC(=O)N=NC1=CC=C(C=C1)OC.C1CCC(CC1)NC2CCCCC2","OLVXYRIZXPTKQT-UHFFFAOYSA-N",386433,NA,"PDBC37763","678402","Present",NA,NA
+"37764","L-Alanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dl-alanosine///alanosine",NA,"C(C(C(=O)O)N)[N+](=NO)[O-]","ZGNLFUXWZJGETL-WAYWQWQTSA-N",135413540,NA,"PDBC37764","143647///529469","Present",NA,NA
+"37765","L-Alanyl derivative of 2-(4-amino-3-methylphenyl)-5-fluorobenzothiazole (HCl salt)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-alanyl derivative of 2-(4-amino-3-methylphenyl)-5-fluo...",NA,"CC1=C(C=CC(=C1)C2=NC3=C(S2)C=CC(=C3)F)NC(=O)C(C)N.Cl","XAYVIDVIXPKYHN-UHFFFAOYSA-N",400165,NA,"PDBC37765","711669","Present",NA,NA
+"37766","L-Aspartic acid, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phosphonacetyl-L-aspartate",NA,"C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O.[Na+]","NTPHVSVNFQQSAL-UHFFFAOYSA-N",54607056,NA,"PDBC37766","224131","Present",NA,NA
+"37767","L-Aspartic acid, platinum complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-cyclohexanediamine, platinum complex (9ci)",NA,"C1CCC(C(C1)[NH-])[NH-].C(C(C(=O)O)NC(=O)CP(=O)(O)O)C(=O)O.[Pt+2]","LDQZTUSAPZHDLA-UHFFFAOYSA-N",432803,NA,"PDBC37767","328005","Present",NA,NA
+"37768","L-Cysteine analog",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Cysteine analog",NA,"CCOC(=O)C(CSC(=O)NC)N.Cl","LYLDPAYWSCPRTI-UHFFFAOYSA-N",457392,NA,"PDBC37768","303861","Present",NA,NA
+"37769","L-Cysteine, S-(2-naphthalenyldiphenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"l-cysteine, s-(2-naphthalenyldiphenylmethyl)- (9ci)",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC4=CC=CC=C4C=C3)SCC(C(=O)O)N","BCBSYXGYLMMICN-UHFFFAOYSA-N",420455,NA,"PDBC37769","123529","Present",NA,NA
+"37770","L-Cysteine, S-[(4-bromophenyl)diphenylmethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Cysteine, S-[(4-bromophenyl)diphenylmethyl]- (9CI)",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Br)SCC(C(=O)O)N","CZMPYTSSFVPFPE-UHFFFAOYSA-N",420691,NA,"PDBC37770","126217","Present",NA,NA
+"37771","L-Cysteine, S-[(4-chlorophenyl)diphenylmethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Cysteine, S-[(4-chlorophenyl)diphenylmethyl]-",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)SCC(C(=O)O)N","BSTXYLCINUXYQF-UHFFFAOYSA-N",275977,NA,"PDBC37771","123138","Present",NA,NA
+"37772","L-Cysteine, S-[(4-fluorophenyl)diphenylmethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Cysteine, S-[(4-fluorophenyl)diphenylmethyl]- (9CI)",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)F)SCC(C(=O)O)N","GYNSTRCJYLZSGY-UHFFFAOYSA-N",420442,NA,"PDBC37772","123493","Present",NA,NA
+"37773","L-Cysteine, S-[bis(4-methylphenyl)phenylmethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"l-cysteine, s-[bis(4-methylphenyl)phenylmethyl]-",NA,"CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)C)SCC(C(=O)O)N","MSPIKMKQZSFDCR-UHFFFAOYSA-N",275979,NA,"PDBC37773","123140","Present",NA,NA
+"37774","L-Cysteine, S-[tris(4-methylphenyl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Cysteine, S-[tris(4-methylphenyl)methyl]- (9CI)",NA,"CC1=CC=C(C=C1)C(C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)SCC(C(=O)O)N","GLGZDJARSLSKDT-UHFFFAOYSA-N",420441,NA,"PDBC37774","123491","Present",NA,NA
+"37775","L-Cysteine, homopolymer, diphenyltin complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Cysteine, homopolymer, diphenyltin complex",NA,NA,NA,NA,NA,"PDBC37775","356235","Present",NA,NA
+"37776","L-Glutamamide,4-diamino-6-pteridinyl)methyl](methyl)amino]benzoyl]-N(1),N(5)-didecyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Glutamamide, N(2)-[4-[[(2,4-diamino-6-pteridinyl)methy...",NA,"CCCCCCCCCCNC(=O)CCC(C(=O)NCCCCCCCCCC)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","JHUNGZQPXRVEDL-UHFFFAOYSA-N",386226,NA,"PDBC37776","677942","Present",NA,NA
+"37777","L-Glutamic acid, N-(4-(((2-amino-1,4-dihydro-4-oxo-6-quinazolinyl)methyl)-2-propynylamino)benzoyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Glutamic acid, N-[4-[[(2-amino-1,4-dihydro-4-oxo-6-qui...",NA,"C#CCN(CC1=CC2=C(C=C1)N=C(NC2=O)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","LTKHPMDRMUCUEB-UHFFFAOYSA-N",135402053,NA,"PDBC37777","327182","Present",NA,NA
+"37778","L-Glutamic acid,3,4,6-tetrahydro-3,6-dioxo-1,2,4--benzotriazin-2-yl)benzoyl]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Glutamic acid, N-[4-(2,3,4,6-tetrahydro-3,6-dioxo-1,2,...",NA,"C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)N2C(=O)N=C3C=C(C=CC3=N2)O","ZLAVEQSTFKTPDE-AWEZNQCLSA-N",135503477,NA,"PDBC37778","639021","Present",NA,NA
+"37779","L-LYS-L-p-NO2Phe-L-Ala-L-p-NO2PheNH2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-LYS-L-p-NO2Phe-L-Ala-L-p-NO2PheNH2",NA,"CC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N)NC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C(CCCCN)N","QLUJJUWCLAZBOA-UHFFFAOYSA-N",386384,NA,"PDBC37779","678355","Present",NA,NA
+"37780","L-Leucine, ester, hydrochloride (2:3)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Leucine, N-[4-[bis(2-chloroethyl)amino]-DL-phenylalany...",NA,"CCOC(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N","OYMBDLNBTYXPKH-UHFFFAOYSA-N",429865,NA,"PDBC37780","266068","Present",NA,NA
+"37781","L-Leucine,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl]bis(methyene) ester, dihydrochloride, (L,L)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Leucine, [tetradecahydro-1,3,5,7-tetraoxo-4,8- ethenop...",NA,"CC(C)CC(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)COC(=O)C(CC(C)C)N)N.Cl","QHOXBDOAVDSMEF-UHFFFAOYSA-N",54600783,NA,"PDBC37781","380340","Present",NA,NA
+"37782","L-Lysinamide,3-benzothiazol-2-yl)phenyl-2-chlorophenyl]-,dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Lysinamide, N-[4-(1,3-benzothiazol-2-yl)phenyl-2-chlor...",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)NC(=O)C(CCCCN)N)Cl.Cl","LJXYXZRMYDJCDQ-UQKRIMTDSA-N",396810,NA,"PDBC37782","703784","Present",NA,NA
+"37783","L-Lysine,8-difluoro-7-methyl-4-oxo-4H-1-benzopyran-2-yl)-2-fluorophenyl]amide, trihydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 5-amino-6,8-difluoro- 2-[3-fluoro...",NA,"CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)C(CCCCN)N)F)N)F.Br","NXHWPWWZVCZWHC-ZOWNYOTGSA-N",396363,NA,"PDBC37783","702295","Present",NA,NA
+"37784","L-Norleucine, N-acetyl-6-diazo-5-oxo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetyl-don",NA,"CC(=O)NC(CCC(=O)C=[N+]=N)C(=O)O","FCXJUAROUBYGCC-UHFFFAOYSA-O",6332145,NA,"PDBC37784","51097","Present",NA,NA
+"37785","L-Proline,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrrolo[3',4':3,4]cyclobut[1,2-f]isoindole-2,6-diyl)bis(methylene) ester, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Proline, (1,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahydro-1,...",NA,"C1CC(NC1)C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C7CCCN7.Cl","AOHGHVCAVNNRHY-UHFFFAOYSA-N",54607962,NA,"PDBC37785","379687","Present",NA,NA
+"37786","L-Serine, diazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC742",NA,"C(C(C(=O)O)N)OC(=O)C=[N+]=N","LMTILILZEHPNAP-UHFFFAOYSA-O",6331826,NA,"PDBC37786","742","Present",NA,NA
+"37787","L-Thymidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dthyd",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O","IQFYYKKMVGJFEH-UHFFFAOYSA-N",1134,NA,"PDBC37787","21548","Present",NA,NA
+"37788","L-Tryptophan,",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphoramidon",NA,"CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)O)O)O)O.[Na+]","IFGCUJZIWBUILZ-UHFFFAOYSA-N",54608559,NA,"PDBC37788","694280","Present",NA,NA
+"37789","L-Valilo-D-isoglutamylo-L-lizylo-N-gamma-propylamino-N[4'nitroacridone-9'(10)], dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-valilo-D-isoglutamylo-L-lizylo-N-.gamma.-propylamino-N...",NA,"CC(C)C(C(=O)NC(CCC(=O)NCCCCC(C(=O)NCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)N)C(=O)N)N.Cl","YDBPFUVDALYRHT-UHFFFAOYSA-N",54608849,NA,"PDBC37789","700254","Present",NA,NA
+"37790","L-Valine,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,6,7,8,9,11a,12,13,14,14a-decahydro-13-hydroxy-6-methyl-4-oxo-1H-cyclopent[f]oxacyclotridecin-1-yl ester, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Valine, N,N-dimethyl-, (1R,2E,6S,10E,11aS,13S,14aR)-4,...",NA,"CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)OC(=O)C(C(C)C)N(C)C)O.Cl","KGJLAKCYINPKMC-VJZMYGOLSA-N",45028995,NA,"PDBC37790","745102","Present",NA,NA
+"37791","L011EE8UO5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L011EE8UO5",NA,"C1=CC2=NC3=C(C4=C(C(=S)C=C(S4)S)C(=S)S3)C(=S)N2C=C1","NIHGCCMMYBPCPG-UHFFFAOYSA-N",334396,NA,"PDBC37791","339490","Present",NA,NA
+"37792","L7TQ61M79K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L7TQ61M79K",NA,"COC1=CC(=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC","LOAHVXHQGIBIKC-UHFFFAOYSA-N",251113,NA,"PDBC37792","71301","Present",NA,NA
+"37793","LAC 4D12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LAC 4D12",NA,NA,NA,NA,NA,"PDBC37793","636209","Present",NA,NA
+"37794","LAC 4E9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LAC 4E9",NA,NA,NA,NA,NA,"PDBC37794","636210","Present",NA,NA
+"37795","LAIIQUYDEOMYCZ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LAIIQUYDEOMYCZ-UHFFFAOYSA-N",NA,"C1CC2=C(C(=O)C1)C(=CC(=O)N2)CC(=O)O","LAIIQUYDEOMYCZ-UHFFFAOYSA-N",363120,NA,"PDBC37795","627688","Present",NA,NA
+"37796","LAM 1C3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LAM 1C3",NA,NA,NA,NA,NA,"PDBC37796","636191","Present",NA,NA
+"37797","LAM 2E3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LAM 2E3",NA,NA,NA,NA,NA,"PDBC37797","636192","Present",NA,NA
+"37798","LAM 5A6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LAM 5A6",NA,NA,NA,NA,NA,"PDBC37798","636193","Present",NA,NA
+"37799","LCTA 2290",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LCTA 2290",NA,NA,NA,NA,NA,NA,"PDBC37799",NA,"Absent",NA,NA
+"37800","LCTA 2305",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LCTA 2305",NA,NA,NA,NA,NA,NA,"PDBC37800",NA,"Absent",NA,NA
+"37801","LDHA Inhibitor-33",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LDHA Inhibitor-33",NA,"CC1=NC2=C(S1)C=C(C=C2)NC(=O)CCNC(=O)CCCC3=CC=C(C=C3)CC(C(=O)O)C(=O)O","SGFJAJFBGVAOFW-UHFFFAOYSA-N",56844254,NA,"PDBC37801","773174","Present",NA,NA
+"37802","LDHA inhibitor 35",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LDHA Cmp 35",NA,"CCOC(=O)C(CC1=CC=C(C=C1)CCCC(=O)NCCC(=O)NC2=CC3=C(C=C2)N=C(S3)C)C(=O)OCC","ZUUSGQVSBQWPNR-UHFFFAOYSA-N",57387797,NA,"PDBC37802","775018","Present",NA,NA
+"37803","LDN-193189 monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LDN-193189 HCl",NA,"C1CN(CCN1)C2=CC=C(C=C2)C3=CN4C(=C(C=N4)C5=CC=NC6=CC=CC=C56)N=C3.Cl","PCCDKTWDGDFRME-UHFFFAOYSA-N",54613581,NA,"PDBC37803","747884","Present",NA,NA
+"37804","LDN-211904",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LDN-211904",NA,"C1CNCCC1C2=CN3C(=NC=C3C(=O)NC4=CC=CC=C4Cl)C=C2","DGSMEFWSLXFLQA-UHFFFAOYSA-N",46175113,NA,"PDBC37804","751644","Present",NA,NA
+"37805","LDPBGLLGEPOPJT-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LDPBGLLGEPOPJT-UHFFFAOYSA-N",NA,"CC1=NC2=C(N1CCCl)C(=O)C3=CC=CC=C3C2=O","LDPBGLLGEPOPJT-UHFFFAOYSA-N",377402,NA,"PDBC37805","658845","Present",NA,NA
+"37806","LDTTXRCXIMXYEV-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LDTTXRCXIMXYEV-UHFFFAOYSA-N",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=C(C=C2)OS(=O)(=O)C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5C3=O","LDTTXRCXIMXYEV-UHFFFAOYSA-N",384116,NA,"PDBC37806","673345","Present",NA,NA
+"37807","LEQ-506",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LEQ-506",NA,"CC(C)(C1=CN=C(C=C1)N2CCN(CC2)C3=NN=C(C4=CC=CC=C43)CC5=CC=CC=C5)O","KSWYJUIFHPSZOL-UHFFFAOYSA-N",24905375,NA,"PDBC37807","767126","Present",NA,NA
+"37808","LFCXOXKKNZBHGK-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LFCXOXKKNZBHGK-UHFFFAOYSA-N",NA,"C1=CC=C2C=C3C(=CC2=C1)C(=O)SC4=CC5=CC=CC=C5C=C4C(=O)S3","LFCXOXKKNZBHGK-UHFFFAOYSA-N",397765,NA,"PDBC37808","706188","Present",NA,NA
+"37809","LFZ99C4WE7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LFZ99C4WE7",NA,"C1CCC(C1)N2C=NC3=C2N=C(N=C3SCC4=CC=CC=N4)N","CHQGTTKOFFXHJB-UHFFFAOYSA-N",246464,NA,"PDBC37809","59486","Present",NA,NA
+"37810","LHC-165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LHC-165",NA,"CC1=C(C=CC(=C1)OCCOCCC(F)(F)P(=O)(O)O)CCC2=CC3=C4C=CC(=CC4=NC(=C3N=C2)N)CCC(=O)O","SDLWKRZBLTZSEL-UHFFFAOYSA-N",49838259,NA,"PDBC37810","819211","Present",NA,NA
+"37811","LIDFMCQHNCWISF-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LIDFMCQHNCWISF-UHFFFAOYSA-N",NA,"C1OC2=CC3=CC(=C4C=CC(=CC4=C3C=C2O1)OCC5=CC=CC=C5)CNCCCCCC(=O)O","LIDFMCQHNCWISF-UHFFFAOYSA-N",24205686,NA,"PDBC37811","736382","Present",NA,NA
+"37812","LL-D49194alpha1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ll-d49194 alpha 1",NA,"CC1C(C(CC(O1)OC2C(OC(CC2(C)O)OC(C34C5(CO5)C6(C(O3)C(O4)C7=C(O6)C8=C(C=C7C)C(=C9C(CC(C(=O)C9=C8O)O)OC1CC(C(C(O1)C)OC(=O)C)(C)O)OC)OC)OC)C)(C)O)O","FZSZABYRGYFXRS-UHFFFAOYSA-N",127410,NA,"PDBC37812","381856","Present",NA,NA
+"37813","LLW15",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LLW15",NA,"CC1CCCCN1CCCN2C3=C(C=C(C=C3)C(CC(=O)N)NC(=O)NC4=CC=CC=C4C)N=C2C5=CC(=CC=C5)OC6=CC=C(C=C6)C(C)(C)C","TVFIPRJABJXUAJ-UHFFFAOYSA-N",45256728,NA,"PDBC37813","752779","Present",NA,NA
+"37814","LMP-744 hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706744",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC.Cl","POXWLZDVWCKKEX-UHFFFAOYSA-N",397887,NA,"PDBC37814","706744","Present",NA,NA
+"37815","LMPK12113335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMPK12113335",NA,"COC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)O)OC)O)OC)O","DEQJJTUOVGHXHW-UHFFFAOYSA-N",5386959,NA,"PDBC37815","618930","Present",NA,NA
+"37816","LMU-3 HERZ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMU-3 HERZ",NA,"CC(=CCOC(=O)C)C(=O)OC1CC2(C(O2)C=CC(=CC3C1C(=C)C(=O)O3)CO)C","FHAOJCKOQIDTRQ-WDJNLLAESA-N",5477755,NA,"PDBC37816","354049","Present",NA,NA
+"37817","LNZYJVLBKAJRTB-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LNZYJVLBKAJRTB-UHFFFAOYSA-N",NA,"COC1=C(C=C2C(=C1)CCC(C2=O)Br)OC","LNZYJVLBKAJRTB-UHFFFAOYSA-N",324518,NA,"PDBC37817","290424","Present",NA,NA
+"37818","LOXXNDWJQQDZNI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LOXXNDWJQQDZNI-UHFFFAOYSA-N",NA,"CC1(C2CCC1(C(C23OCCO3)OCC(C)(C)C)C)C","LOXXNDWJQQDZNI-UHFFFAOYSA-N",394163,NA,"PDBC37818","697399","Present",NA,NA
+"37819","LPAMGKMXPWSRIP-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LPAMGKMXPWSRIP-UHFFFAOYSA-N",NA,"C1=CC(=CC(=C1)CN2C(=O)NNC2=O)CN3C(=O)NNC3=O","LPAMGKMXPWSRIP-UHFFFAOYSA-N",392325,NA,"PDBC37819","692601","Present",NA,NA
+"37820","LPMATLYZOMJOIQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LPMATLYZOMJOIQ-UHFFFAOYSA-N",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F","LPMATLYZOMJOIQ-UHFFFAOYSA-N",384769,NA,"PDBC37820","675205","Present",NA,NA
+"37821","LQCTTXATDYUYKR-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LQCTTXATDYUYKR-UHFFFAOYSA-N",NA,"CCOC(=O)C(=O)NCCCN1CCOCC1","LQCTTXATDYUYKR-UHFFFAOYSA-N",366851,NA,"PDBC37821","635828","Present",NA,NA
+"37822","LQYJQRDMSDGONO-UHFFFAOYSA-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LQYJQRDMSDGONO-UHFFFAOYSA-",NA,"C1CO[Si]2(OCCN1CCO2)C(Cl)Cl","LQYJQRDMSDGONO-UHFFFAOYSA-N",362522,NA,"PDBC37822","626546","Present",NA,NA
+"37823","LS-100064",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100064",NA,"C1CCN(CC1)CC2CN=C(O2)N","XEIDVARRTALSIU-UHFFFAOYSA-N",385578,NA,"PDBC37823","676871","Present",NA,NA
+"37824","LS-100069",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100069",NA,"C1CCN(C1)CC2CN=C(O2)N","QDQBSPVYYOIHQU-UHFFFAOYSA-N",387534,NA,"PDBC37824","681444","Present",NA,NA
+"37825","LS-100206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100206",NA,"CCN(CC)CC1CN=C(O1)N","HDKUYXCATUXZQK-UHFFFAOYSA-N",395856,NA,"PDBC37825","700859","Present",NA,NA
+"37826","LS-100736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100736",NA,"CC(C)OC1=CC=C(C2=CC=CC=C21)CNC3=NCCO3","PAXDSHJDFGCEQX-UHFFFAOYSA-N",379566,NA,"PDBC37826","664251","Present",NA,NA
+"37827","LS-100910",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100910",NA,"COC1=CC=CC=C1N2CCN(CC2)CN3C4=C(C=CC=N4)OC3=O","ZRAAFBZDDVUGQP-UHFFFAOYSA-N",382816,NA,"PDBC37827","670553","Present",NA,NA
+"37828","LS-100914",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-100914",NA,"C1CN(CCN1CCN2C3=C(C=CC=N3)OC2=O)C4=CC=C(C=C4)OC5=CC=CC=C5","VCEPZHQCTXYJBF-UHFFFAOYSA-N",382817,NA,"PDBC37828","670554","Present",NA,NA
+"37829","LS-102306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-102306",NA,"CC#CC(C(C)C)(C(=O)OC1CCN(CC1)C)O","DKHYPPULAXLVIE-UHFFFAOYSA-N",380282,NA,"PDBC37829","665762","Present",NA,NA
+"37830","LS-102309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-102309",NA,"CC#CC(C#CC)(C(=O)OC1CN2CCC1CC2)O","PSNXEMLZSUPRKP-UHFFFAOYSA-N",380303,NA,"PDBC37830","665784","Present",NA,NA
+"37831","LS-10234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-10234",NA,"CC(=O)NC1=CC2=C3C(=C1)CCCN3CCC2","HDMRNHVZGBSKQV-UHFFFAOYSA-N",379438,NA,"PDBC37831","663985","Present",NA,NA
+"37832","LS-104826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-104826",NA,"CC(CC1=CC=CC=C1O)NC.Cl","DOARZSIFJRHEMQ-UHFFFAOYSA-N",3046233,NA,"PDBC37832","78118","Present",NA,NA
+"37833","LS-110286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-110286",NA,"CC1=CC(=C(C=C1)C)N2CCN(CC2)C3=C(C=NC=C3)N","YJLBBOCNMHAPTM-UHFFFAOYSA-N",98551,NA,"PDBC37833","147866","Present",NA,NA
+"37834","LS-111502",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-111502",NA,"C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl","VAQACFCOJXBJFH-UHFFFAOYSA-N",386371,NA,"PDBC37834","678255","Present",NA,NA
+"37835","LS-11164",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-11164",NA,"COC(=O)C=C1C(=O)C(=C(O1)C2=CC=CC=C2)Br","IWMAYAIGAOIURN-VQHVLOKHSA-N",5468709,NA,"PDBC37835","674914","Present",NA,NA
+"37836","LS-11306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-11306",NA,"COC1=CC=C(C=C1)C2=C(C(=O)C(=CC(=O)OC)O2)Cl","SLDQNGPWFHMXHZ-JXMROGBWSA-N",5468860,NA,"PDBC37836","677937","Present",NA,NA
+"37837","LS-11322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-11322",NA,"CC1=CC=C(C=C1)C2=C(C(=O)C(=CC(=O)OC)O2)Cl","IDLLDXHXWHEWIC-JXMROGBWSA-N",5468858,NA,"PDBC37837","677935","Present",NA,NA
+"37838","LS-113874",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-113874",NA,"C1CCN(CC1)N=CC2=CSC(=N2)C3=CC=C(O3)[N+](=O)[O-]","QUWXPAMGCZPVGI-RIYZIHGNSA-N",9568051,NA,"PDBC37838","304379","Present",NA,NA
+"37839","LS-114726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-114726",NA,"CN1CCC(CC1)(C(=O)OC)OC(=O)SC2=CC=CC=C2","AFEAKHPNRXBSOT-UHFFFAOYSA-N",380347,NA,"PDBC37839","665872","Present",NA,NA
+"37840","LS-120189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-120189",NA,"CCCCCC(CO)C(C(F)(F)F)(C(F)(F)F)O","QJDIZDFXELTMDN-UHFFFAOYSA-N",215056,NA,"PDBC37840","659266","Present",NA,NA
+"37841","LS-120557",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-120557",NA,"COC1=CC=CC=C1OCC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3","XQKVKEPGAZLAQW-UHFFFAOYSA-N",366853,NA,"PDBC37841","635832","Present",NA,NA
+"37842","LS-120604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-120604",NA,"CC1=CC=CC=C1OCC(COC(=O)NC2=CC=CC=C2)OC(=O)NC3=CC=CC=C3","YHAXHQQDFSXBAM-UHFFFAOYSA-N",366847,NA,"PDBC37842","635824","Present",NA,NA
+"37843","LS-123342",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-123342",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=CC3=CC=CC=C3)C#N","GNWOEFVKNCEIJB-UKTHLTGXSA-N",5469111,NA,"PDBC37843","683328","Present",NA,NA
+"37844","LS-123344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-123344",NA,"C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NN=C(O2)C3=CC=CC=C3","STEGJXCAMOUJQP-RVDMUPIBSA-N",5469110,NA,"PDBC37844","683327","Present",NA,NA
+"37845","LS-123810",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-123810",NA,"C1=CC=C2C(=C1)NC(=N2)C(=O)C=CC3=CC=C(C=C3)Cl","VLOYJJMQBUMMMP-JXMROGBWSA-N",5472116,NA,"PDBC37845","716333","Present",NA,NA
+"37846","LS-123812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-123812",NA,"COC1=CC=C(C=C1)C=CC(=O)C2=NC3=CC=CC=C3N2","QSCCDAGMEXKGHL-DHZHZOJOSA-N",5469980,NA,"PDBC37846","695163","Present",NA,NA
+"37847","LS-124321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-124321",NA,"CCN(CC)CCN(C1=CC=CC=C1N)C(=O)C(C)(C)C","XVUYYYAZLXXVKG-UHFFFAOYSA-N",377574,NA,"PDBC37847","659140","Present",NA,NA
+"37848","LS-12493",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-12493",NA,"CC1=C(OC(=CC(=O)OC)C1=O)C2=CC=CC=C2","AVZXCWLODRSIHQ-DHZHZOJOSA-N",5468708,NA,"PDBC37848","674913","Present",NA,NA
+"37849","LS-126487",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-126487",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)NC=N3","UKXZJACHRNBQRO-UHFFFAOYSA-N",5466207,NA,"PDBC37849","681704","Present",NA,NA
+"37850","LS-126491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-126491",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)SC)NC=N3","KZOFMVLEQMEJEU-UHFFFAOYSA-N",389513,NA,"PDBC37850","685803","Present",NA,NA
+"37851","LS-126875",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-126875",NA,"CCC(CO)NC1=NC2=C(N1CCO)C(=O)N(C(=O)N2C)C","GPEWINMGNPPOCM-UHFFFAOYSA-N",363687,NA,"PDBC37851","628804","Present",NA,NA
+"37852","LS-127178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-127178",NA,"CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N=CN3","JWQSQZFFXQPOJJ-UHFFFAOYSA-N",3005246,NA,"PDBC37852","685805","Present",NA,NA
+"37853","LS-127179",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-127179",NA,"CCCCC1=CC=C(C=C1)NC2=NC(=S)C3=C(N2)N(C=N3)COCCO","KEJWNJZGGLXQHF-UHFFFAOYSA-N",3005202,NA,"PDBC37853","681698","Present",NA,NA
+"37854","LS-127219",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-127219",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3COCCO","FTTOTLVQWYDVIL-UHFFFAOYSA-N",135444900,NA,"PDBC37854","681701","Present",NA,NA
+"37855","LS-127607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-127607",NA,"C1=CC=C(C=C1)C2=C(C(=C(N2)C3=CC=CC=C3)C4=NC=CN=C4)C5=NC=CN=C5","CGJZBSYAHBECPN-UHFFFAOYSA-N",374033,NA,"PDBC37855","651212","Present",NA,NA
+"37856","LS-127792",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-127792",NA,"CN1CC2C3=CC=CN3C4=CC=CC=C4CN2C(=O)C1","ICHXNRGFPUJMOV-UHFFFAOYSA-N",363940,NA,"PDBC37856","629460","Present",NA,NA
+"37857","LS-127972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-127972",NA,"CC(C1=C(N(N=C1)C2=CC=CC=C2)N3C=CC=C3)C(=O)O","CYELEOGKEPKXLS-UHFFFAOYSA-N",362811,NA,"PDBC37857","627125","Present",NA,NA
+"37858","LS-12875",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-12875",NA,"CC(=O)SC(C[N+](=O)[O-])C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC","CHFGMZYYHGFBSB-UHFFFAOYSA-N",59622,NA,"PDBC37858","664263","Present",NA,NA
+"37859","LS-128970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-128970",NA,"CC1=NN(C2=C1N=C(CC(=N2)C3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4","UWRABIHLAXIDEG-UHFFFAOYSA-N",378932,NA,"PDBC37859","662440","Present",NA,NA
+"37860","LS-128971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-128971",NA,"CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C4=CC=CC=C4)C)N=C(C2)C(=O)O","NXOMBDBHTBVAQK-UHFFFAOYSA-N",378936,NA,"PDBC37860","662444","Present",NA,NA
+"37861","LS-128972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-128972",NA,"CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C4=CC=CC=C4)C)N=C(C2)C(=O)OC","NMNOSPOHOSXIMN-UHFFFAOYSA-N",378933,NA,"PDBC37861","662441","Present",NA,NA
+"37862","LS-129000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-129000",NA,"CC1=C(NN(C1=O)C2=NCCN2)C3=CC=CC=C3","XSEXQMKNKLIOHQ-UHFFFAOYSA-N",388452,NA,"PDBC37862","683379","Present",NA,NA
+"37863","LS-129066",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-129066",NA,"CC1=NN(C(=O)C1)C2=NS(=O)(=O)C3=CC=CC=C3N2C","CBAOOIHDULCEBQ-UHFFFAOYSA-N",341522,NA,"PDBC37863","373871","Present",NA,NA
+"37864","LS-129355",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-129355",NA,"C1=CC(=CC=C1C2=CSC3=NC4=C(C=NN4)C(=S)N23)Cl","JJRAETHZTYXMNJ-UHFFFAOYSA-N",3005065,NA,"PDBC37864","669950","Present",NA,NA
+"37865","LS-129361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-129361",NA,"C1=CC(=CC=C1C2=CSC3=NC4=C(C=NN4)C(=O)N23)Cl","SZUOUFXDFQIXDE-UHFFFAOYSA-N",382391,NA,"PDBC37865","669949","Present",NA,NA
+"37866","LS-129365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-129365",NA,"CC1=CSC2=NC3=C(C=NN3)C(=O)N12","XNIFRFGBXNTKSI-UHFFFAOYSA-N",382390,NA,"PDBC37866","669948","Present",NA,NA
+"37867","LS-129409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-129409",NA,"COC1=CC=C(C=C1)N2C=NN3C2=NC4=C(C3=O)C=NN4","XSUAKXJENOJVNQ-UHFFFAOYSA-N",377463,NA,"PDBC37867","658920","Present",NA,NA
+"37868","LS-129625",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-129625",NA,"CN1C(=O)C2=C(C=N1)S(=O)(=O)C3=CC=CC=C3N2","YKNVKHAYVZQLNM-UHFFFAOYSA-N",369523,NA,"PDBC37868","641378","Present",NA,NA
+"37869","LS-132105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-132105",NA,"CCN(CC)CCNC1=C(C(=C(C(=N1)N)C#N)C#N)C#N","VJGHTKIODVOMJN-UHFFFAOYSA-N",267532,NA,"PDBC37869","106873","Present",NA,NA
+"37870","LS-132106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-132106",NA,"CN(C)C1=C(C(=C(C(=N1)N)C#N)C#N)C#N","NZBSPFRVUFSZJU-UHFFFAOYSA-N",265404,NA,"PDBC37870","101337","Present",NA,NA
+"37871","LS-132109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-132109",NA,"CN(C1=C(C(=C(C(=N1)N)C#N)C#N)C#N)OC","WXKUOSCGHLKUGU-UHFFFAOYSA-N",379201,NA,"PDBC37871","663613","Present",NA,NA
+"37872","LS-132110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-132110",NA,"COCCCNC1=C(C(=C(C(=N1)N)C#N)C#N)C#N","IPXPYYWXAZZTMO-UHFFFAOYSA-N",379207,NA,"PDBC37872","663618","Present",NA,NA
+"37873","LS-133383",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133383",NA,"C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=NC=C5)C6=CC=CC=C6N4","OIROQHWNXZSXST-UHFFFAOYSA-N",364738,NA,"PDBC37873","631407","Present",NA,NA
+"37874","LS-133523",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133523",NA,"CCN(CC)CCN1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","ZLBQRZFRWCJAPS-UHFFFAOYSA-N",365599,NA,"PDBC37874","633400","Present",NA,NA
+"37875","LS-133524",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133524",NA,"CN(C)CCN1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","HPWNAQYMZWECFY-UHFFFAOYSA-N",365598,NA,"PDBC37875","633399","Present",NA,NA
+"37876","LS-133531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133531",NA,"C1=CC=C2C(=C1)C3=C(N2)C(=NC=C3)C4=CC=CO4","CNWBTQXHKWLFIJ-UHFFFAOYSA-N",148507,NA,"PDBC37876","667453","Present",NA,NA
+"37877","LS-133590",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133590",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN(CC5=CC=CC=C5)CC6=CC=CC=C6","DGCBXFMNTWSXAW-UHFFFAOYSA-N",365594,NA,"PDBC37877","633395","Present",NA,NA
+"37878","LS-133613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133613",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN5CCN(CC5)C6=CC(=CC=C6)Cl","SYPKBQIMDNYPFL-UHFFFAOYSA-N",365597,NA,"PDBC37878","633398","Present",NA,NA
+"37879","LS-133614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133614",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCN5CCN(CC5)C6=CC(=CC=C6)Cl","NNFQREQCAICLQH-UHFFFAOYSA-N",365602,NA,"PDBC37879","633403","Present",NA,NA
+"37880","LS-133615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133615",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CCN5CCN(CC5)C6=CC(=CC=C6)Cl","WBNHOLRZSALXBA-UHFFFAOYSA-N",365607,NA,"PDBC37880","633408","Present",NA,NA
+"37881","LS-133616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133616",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCCN5CCN(CC5)C6=CC(=CC=C6)Cl","SWRGZBWFGHMEOU-UHFFFAOYSA-N",365612,NA,"PDBC37881","633413","Present",NA,NA
+"37882","LS-133618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133618",NA,"CCN(CC)CC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","CJPWNBNMOISVOL-UHFFFAOYSA-N",365593,NA,"PDBC37882","633394","Present",NA,NA
+"37883","LS-133620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133620",NA,"CCN(CC)CCC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","ONNLRBDNEMAAHA-UHFFFAOYSA-N",365604,NA,"PDBC37883","633405","Present",NA,NA
+"37884","LS-133621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133621",NA,"CCN(CC)CCCN1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","IGEVBTTXDGYSKM-UHFFFAOYSA-N",365609,NA,"PDBC37884","633410","Present",NA,NA
+"37885","LS-133627",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133627",NA,"CN(C)CC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","OQEJZBLFDQHTFB-UHFFFAOYSA-N",365592,NA,"PDBC37885","633393","Present",NA,NA
+"37886","LS-133633",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133633",NA,"CN(C)CCC(=O)N1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","YZJNMSAVSZFSRX-UHFFFAOYSA-N",365603,NA,"PDBC37886","633404","Present",NA,NA
+"37887","LS-133639",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133639",NA,"CN(C)CCCN1CCC2=C(C1C3=CN=CC=C3)NC4=CC=CC=C24","POIIFAYEOXYHOF-UHFFFAOYSA-N",365608,NA,"PDBC37887","633409","Present",NA,NA
+"37888","LS-133728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133728",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CCN5CCN(CC5)C6=CC=CC=C6","YPDZCOXYCXOQOH-UHFFFAOYSA-N",365606,NA,"PDBC37888","633407","Present",NA,NA
+"37889","LS-133733",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133733",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)C(=O)CN5CCN(CC5)C6=CC=CC=C6","LDUINWUBBPJMRQ-UHFFFAOYSA-N",365596,NA,"PDBC37889","633397","Present",NA,NA
+"37890","LS-133734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133734",NA,"C1CN(C(C2=C1C3=CC=CC=C3N2)C4=CN=CC=C4)CCCN5CCN(CC5)C6=CC=CC=C6","DBYIMKGTQOEJFO-UHFFFAOYSA-N",365611,NA,"PDBC37890","633412","Present",NA,NA
+"37891","LS-133739",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133739",NA,"C1CCN(CC1)CCN2CCC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35","DERUGECTQBSXDP-UHFFFAOYSA-N",365600,NA,"PDBC37891","633401","Present",NA,NA
+"37892","LS-133740",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133740",NA,"C1CCN(CC1)CCCN2CCC3=C(C2C4=CN=CC=C4)NC5=CC=CC=C35","FOJAESRSRCGLSK-UHFFFAOYSA-N",365610,NA,"PDBC37892","633411","Present",NA,NA
+"37893","LS-133802",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133802",NA,"CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=CC(=CC=C5)Cl","ZRYZUZQDKWTLMK-UHFFFAOYSA-N",365674,NA,"PDBC37893","633527","Present",NA,NA
+"37894","LS-133803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133803",NA,"CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN4CCN(CC4)C5=CC(=CC=C5)Cl","ZXDMGMNETBRKMC-UHFFFAOYSA-N",365678,NA,"PDBC37894","633531","Present",NA,NA
+"37895","LS-133804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133804",NA,"CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCN4CCN(CC4)C5=CC(=CC=C5)Cl","MEBBQRYKQJOYQS-UHFFFAOYSA-N",365672,NA,"PDBC37895","633525","Present",NA,NA
+"37896","LS-133809",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-133809",NA,"CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCN4CCN(CC4)C5=CC=CC=C5","BTPVVTGVKFFPPJ-UHFFFAOYSA-N",365671,NA,"PDBC37896","633524","Present",NA,NA
+"37897","LS-134106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-134106",NA,"CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCCN4CCN(CC4)C5=CC=CC=C5","CEIALHUCRRVMCS-UHFFFAOYSA-N",388430,NA,"PDBC37897","683339","Present",NA,NA
+"37898","LS-134109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-134109",NA,"CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCCN4CCN(CC4)C5=NC=CC=N5","GIOYYUIAQGOYMQ-UHFFFAOYSA-N",388431,NA,"PDBC37898","683340","Present",NA,NA
+"37899","LS-134826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-134826",NA,"C1CCC(CC1)NC(=O)C2=C(C(=O)NC(=O)N2)NC(=O)C3=CC=C(C=C3)Cl","FEWQWUFOYTYZAO-UHFFFAOYSA-N",361707,NA,"PDBC37899","624948","Present",NA,NA
+"37900","LS-135899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-135899",NA,"CC1=C(C(=O)N(N1)C2=NC(=C(C(=O)N2)C3=CC=CC=C3)O)CCO","GFDUDSYUKFHLEV-UHFFFAOYSA-N",387164,NA,"PDBC37900","680678","Present",NA,NA
+"37901","LS-135982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-135982",NA,"CC1=CC=CC=C1N2C(=NC(=CC2=O)C3=CC=CC=C3)C","SVOGRFBWKYBSSN-UHFFFAOYSA-N",120573,NA,"PDBC37901","632909","Present",NA,NA
+"37902","LS-138084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-138084",NA,"C1CCN(C1)C(=O)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4","XQQKZHKJJACIRO-UHFFFAOYSA-N",381975,NA,"PDBC37902","669285","Present",NA,NA
+"37903","LS-139167",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-139167",NA,"C1CC2(NC3=C(N2C1=O)C=CC(=C3)Cl)C4=CC=CC=C4","OTSBQNHXOLZAND-UHFFFAOYSA-N",368713,NA,"PDBC37903","639850","Present",NA,NA
+"37904","LS-140543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140543",NA,"CCC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=C(C=C3)N(C)C)N=NC4=CC=C(C=C4)Cl","CKWUIGZKSXOBKG-CBTWDDLFSA-N",9569853,NA,"PDBC37904","622361","Present",NA,NA
+"37905","LS-140544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140544",NA,"CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=C(C=C3)N(C)C)N=NC4=CC=C(C=C4)Cl","CYZUKIJJEHHLMN-XEPJHKIBSA-N",9569850,NA,"PDBC37905","622358","Present",NA,NA
+"37906","LS-140545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140545",NA,"CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC(=C3)C4=CC=CO4)N=NC5=CC=C(C=C5)Cl","KAVKTROKNWCJPQ-VKGWNBKZSA-N",9569848,NA,"PDBC37906","622356","Present",NA,NA
+"37907","LS-140546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140546",NA,"CCC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3)N=NC4=CC=C(C=C4)Cl","UMTVPRCWTCIJFA-ZZSBHYMWSA-N",9569851,NA,"PDBC37907","622359","Present",NA,NA
+"37908","LS-140547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140547",NA,"CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3)N=NC4=CC=CC=C4Cl","UOXGCYUEQZNOIU-OBWOFCCJSA-N",9569842,NA,"PDBC37908","622350","Present",NA,NA
+"37909","LS-140549",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140549",NA,"CCC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3Cl)N=NC4=CC=C(C=C4)Cl","OXBHMCOIWFQAOI-STFICJARSA-N",9569852,NA,"PDBC37909","622360","Present",NA,NA
+"37910","LS-140550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140550",NA,"CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3Cl)N=NC4=CC=CC=C4Cl","PFEICYROMYNSQH-PARUYMKBSA-N",9569846,NA,"PDBC37910","622354","Present",NA,NA
+"37911","LS-140551",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140551",NA,"CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3Cl)N=NC4=CC(=CC=C4)Cl","DWTIRLMTTIEVBS-PARUYMKBSA-N",9569845,NA,"PDBC37911","622353","Present",NA,NA
+"37912","LS-140589",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140589",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)CC(=O)C3=CC=NC=C3)C4=CC=CC=C4Cl","MIIHIYMYKNAPCK-UHFFFAOYSA-N",63835,NA,"PDBC37912","632911","Present",NA,NA
+"37913","LS-140593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140593",NA,"CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3Cl)N=NC4=CC=CC=C4","FQFRJVBDORJDDS-OBWOFCCJSA-N",9569844,NA,"PDBC37913","622352","Present",NA,NA
+"37914","LS-140670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140670",NA,"CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=C(C=C3)N(C)C)N=NC4=C(C=CC(=C4)Cl)Cl","NVIXSZFROZSILN-QZTXZMLOSA-N",9569849,NA,"PDBC37914","622357","Present",NA,NA
+"37915","LS-140671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140671",NA,"CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC(=C3)C4=CC=CO4)N=NC5=C(C=CC(=C5)Cl)Cl","GKNXBNHHZYQSCO-KFIRMQKPSA-N",9569847,NA,"PDBC37915","622355","Present",NA,NA
+"37916","LS-140672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-140672",NA,"CC1=NC2=CC=CC=C2C(=O)N1N=C(C3=CC=CC=C3)N=NC4=C(C=CC(=C4)Cl)Cl","YTGGRSMFHXTHKG-PARUYMKBSA-N",9569843,NA,"PDBC37916","622351","Present",NA,NA
+"37917","LS-141501",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-141501",NA,"CCOC(=O)C1=C(NC2=C(C1=O)C=C(C=C2)Cl)C3=CC=CC=C3","QUHKURDECUBSLN-UHFFFAOYSA-N",379805,NA,"PDBC37917","664905","Present",NA,NA
+"37918","LS-141937",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-141937",NA,"CN(C)C1=CC2=C(C=C1)N=C(C=C2)CC(C(F)(F)F)(C(F)(F)F)O","AWILFNKHRQWBNJ-UHFFFAOYSA-N",293516,NA,"PDBC37918","160147","Present",NA,NA
+"37919","LS-142943",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-142943",NA,"C1=CC=C2C(=C1)C(=O)N3C4=CC=CC=C4C(=CC3=N2)C(=O)NC5=C(C=C(C=C5)Cl)Cl","FTVSDYFQWMGMNN-UHFFFAOYSA-N",379479,NA,"PDBC37919","664033","Present",NA,NA
+"37920","LS-142945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-142945",NA,"CNC(=O)C1=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C41","OUGDIUVHUGTHEK-UHFFFAOYSA-N",379481,NA,"PDBC37920","664035","Present",NA,NA
+"37921","LS-142949",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-142949",NA,"CCOC(=O)C1=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C41","FJUOPBWWQZEZEY-UHFFFAOYSA-N",379480,NA,"PDBC37921","664034","Present",NA,NA
+"37922","LS-144880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-144880",NA,"CN(C)NC(=S)NC1=CC=CC=C1C(=O)OC","LMUKXZWJNISFSJ-UHFFFAOYSA-N",3004929,NA,"PDBC37922","663980","Present",NA,NA
+"37923","LS-144881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-144881",NA,"CN(C)NC(=S)NC1=CC=C(C=C1)SC","SWCJXGNMWSDMRR-UHFFFAOYSA-N",3004640,NA,"PDBC37923","659179","Present",NA,NA
+"37924","LS-150210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-150210",NA,"C1=CC(=CC=C1N)SC2=NN=C(S2)N","IBWMMESZFNYSHN-UHFFFAOYSA-N",116531,NA,"PDBC37924","655040","Present",NA,NA
+"37925","LS-150387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-150387",NA,"COC1=CC(=CC(=C1OC)OC)C2=NN3C(=NC(=O)N(C3=O)C4=CC=C(C=C4)Cl)S2","CDXZJOOBZOBFAO-UHFFFAOYSA-N",365515,NA,"PDBC37925","633203","Present",NA,NA
+"37926","LS-152534",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-152534",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)SCC(=N3)C4=CC=C(C=C4)Cl)C","SQMNQMSCIMTWAZ-UHFFFAOYSA-N",384941,NA,"PDBC37926","675764","Present",NA,NA
+"37927","LS-152535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-152535",NA,"CC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC(=C4C)C","AFPAYUWLXSIEPJ-UHFFFAOYSA-N",384939,NA,"PDBC37927","675762","Present",NA,NA
+"37928","LS-152538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-152538",NA,"CC1=C(SC2=C1C(=O)N3C(=N2)SCC(=N3)C4=CC=CC=C4)C","FQSUJQCOCNQDJY-UHFFFAOYSA-N",384938,NA,"PDBC37928","675761","Present",NA,NA
+"37929","LS-152539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-152539",NA,"C1C(=NN2C(=O)C3=C(N=C2S1)SC(=C3)C4=CC=CC=C4)C5=CC=CC=C5","OHFCMAKJCYLGAZ-UHFFFAOYSA-N",384942,NA,"PDBC37929","675766","Present",NA,NA
+"37930","LS-154275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154275",NA,"CCOC(=O)C1=CC(=C(C=C1)C)N=NN(C)C","KBMHHFCMMQOGQK-UHFFFAOYSA-N",374075,NA,"PDBC37930","651335","Present",NA,NA
+"37931","LS-154710",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154710",NA,"CNC(=O)N1CN(C2(C1=O)CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4","VBYHBBXVMHIHGB-UHFFFAOYSA-N",380361,NA,"PDBC37931","665883","Present",NA,NA
+"37932","LS-154723",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154723",NA,"CNC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O","VQEOKXGKUMDDIL-WLHGVMLRSA-N",5468184,NA,"PDBC37932","665889","Present",NA,NA
+"37933","LS-154745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154745",NA,"C=CCN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5","PHMKECRSIVMICN-UHFFFAOYSA-N",380349,NA,"PDBC37933","665874","Present",NA,NA
+"37934","LS-154749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154749",NA,"CN1CN(C2(C1=O)CCN(CC2)CCC3COC4=CC=CC=C4O3)C5=CC=CC=C5","VTJGTOAUDCODNK-UHFFFAOYSA-N",380043,NA,"PDBC37934","665340","Present",NA,NA
+"37935","LS-154751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154751",NA,"CCN1CN(C2(C1=O)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5","RCKWQESNRPYDDB-UHFFFAOYSA-N",380307,NA,"PDBC37935","665788","Present",NA,NA
+"37936","LS-154754",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154754",NA,"CN1CN(C2(C1=O)CCN(CC2)CC3=NC4=CC=CC=C4S3)C5=CC=CC=C5","KSCWQKPVPYSSJQ-UHFFFAOYSA-N",380304,NA,"PDBC37936","665786","Present",NA,NA
+"37937","LS-154755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154755",NA,"CN1CN(C2(C1=O)CCN(CC2)CCC3=CSC4=CC=CC=C43)C5=CC=CC=C5","PVBDZWYNCUYEBK-UHFFFAOYSA-N",380044,NA,"PDBC37937","665341","Present",NA,NA
+"37938","LS-154756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154756",NA,"CN1CN(C2(C1=O)CCN(CC2)CC3=CSC4=CC=CC=C43)C5=CC=CC=C5","BKMRLPDOTVKGIM-UHFFFAOYSA-N",380039,NA,"PDBC37938","665335","Present",NA,NA
+"37939","LS-154777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154777",NA,"CCOC(CCCN1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C)(C4=CC=C(C=C4)F)OCC","FJBKNVOIDNHJQL-UHFFFAOYSA-N",380348,NA,"PDBC37939","665873","Present",NA,NA
+"37940","LS-154799",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154799",NA,"C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCSC4=CC=C(C=C4)F","FRWHAGPZSVSWSM-UHFFFAOYSA-N",200566,NA,"PDBC37940","665713","Present",NA,NA
+"37941","LS-154815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154815",NA,"CN1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=CS4)C5=CC=CC=C5.C(=CC(=O)O)C(=O)O","ZHYGZHJQHJDEGT-WLHGVMLRSA-N",5468183,NA,"PDBC37941","665888","Present",NA,NA
+"37942","LS-155333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-155333",NA,"C1=CC=C2C(=C1)C=CC=C2NC3=NC(=NC(=N3)Cl)Cl","DDGDKGONLRLJDM-UHFFFAOYSA-N",35300,NA,"PDBC37942","663623","Present",NA,NA
+"37943","LS-156298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-156298",NA,"CCCN(CCC)C1=NC2=CC=CC=C2N3C=NN=C3C1","JILYKWDWHKTCDX-UHFFFAOYSA-N",376216,NA,"PDBC37943","656783","Present",NA,NA
+"37944","LS-157120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-157120",NA,"C1CC2CC1C3C2=C(C3(F)F)F","QLYYIJDGWYWZHG-UHFFFAOYSA-N",379836,NA,"PDBC37944","664967","Present",NA,NA
+"37945","LS-157538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-157538",NA,"C1CO[Si]2(OCCN1CCO2)CNC3=CC=CC=C3","YGHSPISFNKUQEY-UHFFFAOYSA-N",123453,NA,"PDBC37945","626549","Present",NA,NA
+"37946","LS-158876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-158876",NA,"CNC(=O)NCCN1CC2CCC(C1)CC2","JHWADYZNWUCJJU-UHFFFAOYSA-N",377683,NA,"PDBC37946","659263","Present",NA,NA
+"37947","LS-158973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-158973",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)N(CCBr)CCBr","HVUKGCFZISLAKF-UHFFFAOYSA-N",267555,NA,"PDBC37947","106907","Present",NA,NA
+"37948","LS-159771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-159771",NA,"CCOC(CN(C)C(=O)NC1=CC=CC2=CC=CC=C21)OCC","MURPMTLDBRULFZ-UHFFFAOYSA-N",377624,NA,"PDBC37948","659202","Present",NA,NA
+"37949","LS-159773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-159773",NA,"CCOC(CN(C)C(=S)NC1=CC=CC2=CC=CC=C21)OCC","IXOQSAYPBNELSM-UHFFFAOYSA-N",3004644,NA,"PDBC37949","659201","Present",NA,NA
+"37950","LS-159890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-159890",NA,"CN(CC(OC)OC)C(=S)NC1=CC=CC2=CC=CC=C21","UKLHYNKIFNVGIE-UHFFFAOYSA-N",3004648,NA,"PDBC37950","659265","Present",NA,NA
+"37951","LS-159994",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-159994",NA,"CN(C)C(=O)NCCN1CCCCCC2=CC=CC=C21","QVPUGYYRZIGIOT-UHFFFAOYSA-N",379521,NA,"PDBC37951","664179","Present",NA,NA
+"37952","LS-16091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-16091",NA,"CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)N=NN(C)C","ZXMVESLLHSLTDG-UHFFFAOYSA-N",59431,NA,"PDBC37952","651352","Present",NA,NA
+"37953","LS-161195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-161195",NA,"CC(CC(C(F)(F)Cl)(C(F)(F)Cl)O)(C#N)O","OEIHURFLMQCJIG-UHFFFAOYSA-N",379445,NA,"PDBC37953","663993","Present",NA,NA
+"37954","LS-17782",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-17782",NA,"C[N+](C)(CCN1C2=CC=CC=C2SC3=CC=CC=C31)CCO.[I-]","IMRPLALOWVCIRL-UHFFFAOYSA-M",59513,NA,"PDBC37954","663626","Present",NA,NA
+"37955","LS-191560",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-191560",NA,"CCN(CC)CSC1=NC2=CC=CC=C2S1","AHPUCDXYYPKNAF-UHFFFAOYSA-N",364067,NA,"PDBC37955","629706","Present",NA,NA
+"37956","LS-192368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-192368",NA,"CC1=CC(=NC2=C1C(=O)N(S2)CN3CCC(CC3)(C#N)C4=CC=CC=C4)C","HYGAGYUZGYLWBT-UHFFFAOYSA-N",401089,NA,"PDBC37956","713912","Present",NA,NA
+"37957","LS-19726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-19726",NA,"COC1=CC(=C(C=C1)OC)NC2=NCCO2","QMKKYQIMEGYVDH-UHFFFAOYSA-N",58910,NA,"PDBC37957","664004","Present",NA,NA
+"37958","LS-19908",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-19908",NA,"CSC1=CC=CC=C1NC2=NCCO2","BAZPSAHQVPRONW-UHFFFAOYSA-N",58912,NA,"PDBC37958","664005","Present",NA,NA
+"37959","LS-20267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-20267",NA,"CN(C)CCNCC1=C2C=CC=CC2=C(C3=CC=CC=C31)CNCCN(C)C","NQNIIYOBGWAPDR-UHFFFAOYSA-N",60242,NA,"PDBC37959","622293","Present",NA,NA
+"37960","LS-22106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-22106",NA,"CCOC(=O)CC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N=NN(C)C","SLCZGQFZBZOEBG-UHFFFAOYSA-N",53660,NA,"PDBC37960","651353","Present",NA,NA
+"37961","LS-22448",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-22448",NA,"C1CC2CCC1CN(C2)C(=S)NN=CC3=CC=CC=N3","SOFPDFXZPLBDHW-RQZCQDPDSA-N",9554752,NA,"PDBC37961","667885","Present",NA,NA
+"37962","LS-22728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-22728",NA,"COC1=CC(=CC(=C1OC)OC)N2C(=O)C(=O)C3(C2=O)CCCCC3","CBNIAMSMWQGIDT-UHFFFAOYSA-N",59659,NA,"PDBC37962","663972","Present",NA,NA
+"37963","LS-22895",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-22895",NA,"C1CCCN(CC1)C(=S)NN=CC2=CC=CC=N2","YELXJUBURDMCLZ-RVDMUPIBSA-N",9554747,NA,"PDBC37963","667872","Present",NA,NA
+"37964","LS-25616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-25616",NA,"CCN(CC)CCN(C1=CC=CC=C1N)C(=O)C2=CC=C(C=C2)F","SGMNODFVDOBJOE-UHFFFAOYSA-N",59673,NA,"PDBC37964","663628","Present",NA,NA
+"37965","LS-26501",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-26501",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","WJHWITZCMZCYCS-UHFFFAOYSA-N",3000643,NA,"PDBC37965","646792","Present",NA,NA
+"37966","LS-27446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-27446",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)NC2=NN=C(S2)S(=O)(=O)N","VKCYYRCBSOAUCN-UHFFFAOYSA-N",394900,NA,"PDBC37966","698992","Present",NA,NA
+"37967","LS-28837",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-28837",NA,"CC(=C)C#CC(C1=CC=CC=C1)(C(=O)OC2CCN(CC2)C)O","HNFSQQPBCHYZKE-UHFFFAOYSA-N",44183,NA,"PDBC37967","263548","Present",NA,NA
+"37968","LS-32680",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-32680",NA,"CCN(CC)CCN1C2=CC=CC=C2N=C1C(C)(C)C","IZJHSKBOIFMRER-UHFFFAOYSA-N",59436,NA,"PDBC37968","659141","Present",NA,NA
+"37969","LS-32859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-32859",NA,"CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC=C(C=C3)OC","SFNKTTXBZXVGOH-UHFFFAOYSA-N",26412,NA,"PDBC37969","659139","Present",NA,NA
+"37970","LS-32860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-32860",NA,"CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC(=CC=C3)OC","DKGPIAALXIUMNA-UHFFFAOYSA-N",59451,NA,"PDBC37970","663643","Present",NA,NA
+"37971","LS-32928",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-32928",NA,"C1=C2C(=CC(=C1Cl)SSC3=C(C=C4C(=C3)N=C(N4)C(F)(F)F)Cl)N=C(N2)C(F)(F)F","RBHOHJRBYLTTGS-UHFFFAOYSA-N",59452,NA,"PDBC37971","663641","Present",NA,NA
+"37972","LS-33233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-33233",NA,"CC(=O)N1C2=CC=CC=C2N(C1=O)C3CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F","HACVSVYOLJDEJK-UHFFFAOYSA-N",121577,NA,"PDBC37972","665689","Present",NA,NA
+"37973","LS-33260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-33260",NA,"C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=CS4","GHHCMKKXQNVLTH-UHFFFAOYSA-N",380235,NA,"PDBC37973","665712","Present",NA,NA
+"37974","LS-34443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-34443",NA,"CCN(CC)CCNCC1=CC(=CC2=C1OCOC2)Cl","LJSIAAAKUWQIAC-UHFFFAOYSA-N",57701,NA,"PDBC37974","663631","Present",NA,NA
+"37975","LS-35670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-35670",NA,"CCOC(=O)C1=C(C=CC(=C1)Cl)OC(=O)N","HZMSXSATHGSRPG-UHFFFAOYSA-N",359387,NA,"PDBC37975","620230","Present",NA,NA
+"37976","LS-39255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-39255",NA,"COC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl","QPWTVCSDBXVHHT-UHFFFAOYSA-N",42460,NA,"PDBC37976","667224","Present",NA,NA
+"37977","LS-39572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-39572",NA,"COC1=CC=CC=C1C=C2COC3=C(C2=O)C=C(C=C3)C4=CC=CC=C4","GCRQNHGEXPZOOM-CPNJWEJPSA-N",6449193,NA,"PDBC37977","745000","Present",NA,NA
+"37978","LS-39903",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-39903",NA,"C1=CC=C2C(=C1)C3=C(C4=C(N3)C5=C(C=C4)C=NC=C5)OC2=O","VDZSVNWJENESME-UHFFFAOYSA-N",199848,NA,"PDBC37978","742939","Present",NA,NA
+"37979","LS-40256",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-40256",NA,"CC(=O)N(C1=CC2=C3C(=C1)CCCN3CCC2)C(=O)C","TZCGQOBSJSNTMP-UHFFFAOYSA-N",377639,NA,"PDBC37979","659218","Present",NA,NA
+"37980","LS-40421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-40421",NA,"CC1=CC(NN1C2=NS(=O)(=O)C3=CC=CC=C3N2C)(C)C","UNNNCHIUOKKUHT-UHFFFAOYSA-N",341521,NA,"PDBC37980","373870","Present",NA,NA
+"37981","LS-40424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-40424",NA,"CC1=CC(=NN1C2=NS(=O)(=O)C3=CC=CC=C3N2C)C","LLEMGBIWINHBOK-UHFFFAOYSA-N",341519,NA,"PDBC37981","373868","Present",NA,NA
+"37982","LS-40456",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-40456",NA,"CCN1C2=CC=CC=C2S(=O)(=O)N=C1NN","DFOFKVOURVXSFW-UHFFFAOYSA-N",341510,NA,"PDBC37982","373859","Present",NA,NA
+"37983","LS-40459",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-40459",NA,"CN1C2=CC=CC=C2S(=O)(=O)N=C1NN","RLJREWYVJDGKMF-UHFFFAOYSA-N",341509,NA,"PDBC37983","373858","Present",NA,NA
+"37984","LS-41011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-41011",NA,"CC1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C","LKHXBFOQKPAJRO-UHFFFAOYSA-N",3076856,NA,"PDBC37984","716576","Present",NA,NA
+"37985","LS-41101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-41101",NA,"C1=CC(=CC=C1NC2=C(SC3=C2C=C(C=C3)Cl)[N+](=O)[O-])Cl","PHPMDGDFDIROQA-UHFFFAOYSA-N",381649,NA,"PDBC37985","668468","Present",NA,NA
+"37986","LS-41225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-41225",NA,"CC12CCCCC1=C(C(S2)(F)F)F","XUQQKAFRTLETGP-UHFFFAOYSA-N",57787,NA,"PDBC37986","664951","Present",NA,NA
+"37987","LS-41336",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-41336",NA,"C1CCC2=C(SC=C2C1)NC3=NCCO3","SHHCRZDGVXPDFM-UHFFFAOYSA-N",33973,NA,"PDBC37987","664321","Present",NA,NA
+"37988","LS-41409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-41409",NA,"C1C(=CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3S1","YSJUUWPEUQHPJQ-FMIVXFBMSA-N",5472487,NA,"PDBC37988","719468","Present",NA,NA
+"37989","LS-45843",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-45843",NA,"CC(C(C1=CC=CC=C1)O)C(C(F)(F)F)(C(F)(F)F)O","USWUWAGJWLNXBZ-UHFFFAOYSA-N",36944,NA,"PDBC37989","664186","Present",NA,NA
+"37990","LS-45850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-45850",NA,"C1=CC(=CC=C1C(CC(C(F)(F)F)(C(F)(F)F)O)O)C(CC(C(F)(F)F)(C(F)(F)F)O)O","SUQZIKNKPDXXJX-UHFFFAOYSA-N",58141,NA,"PDBC37990","664537","Present",NA,NA
+"37991","LS-47531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-47531",NA,"C1=CC=C(C=C1)NN=CCC(C(F)(F)Cl)(C(F)(F)Cl)O","INSNAKPJFGVZNH-CNHKJKLMSA-N",9555938,NA,"PDBC37991","659182","Present",NA,NA
+"37992","LS-47552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-47552",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=CCC(C(F)(F)F)(C(F)(F)F)O","XZQOIJPSUCREFO-JJPRUIFNSA-N",9555941,NA,"PDBC37992","659195","Present",NA,NA
+"37993","LS-48941",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-48941",NA,"CC(C)(C)OC(=O)NC1=NN=C(S1)S(=O)(=O)N","PNJFEZMILVQYJA-UHFFFAOYSA-N",394901,NA,"PDBC37993","698993","Present",NA,NA
+"37994","LS-49033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-49033",NA,"CCCCOP(=O)(C)C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC","NOJKENVRJDSSCH-UHFFFAOYSA-N",383544,NA,"PDBC37994","671962","Present",NA,NA
+"37995","LS-50476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-50476",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)OC3=CC4=C(C=C3)N=C(N4)NC(=O)OC","CTIKCTPWGUDEDX-UHFFFAOYSA-N",399813,NA,"PDBC37995","710911","Present",NA,NA
+"37996","LS-54274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-54274",NA,"C1=C2C(=CC(=C1Cl)Cl)N=NC(=C2N)C(=O)O","IMBXVSYZRSVZCD-UHFFFAOYSA-N",461801,NA,"PDBC37996","669312","Present",NA,NA
+"37997","LS-56135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-56135",NA,"C1CCC2C(=C(C(S2)(F)F)F)CC1","ZYWBGTOSOLVSIJ-UHFFFAOYSA-N",58509,NA,"PDBC37997","664948","Present",NA,NA
+"37998","LS-56856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-56856",NA,"CC1C(C2CCN1CC2)OC(=O)C(C#CC(=C)C)(C3CCCCC3)O","WPDJYQGGODRWAA-UHFFFAOYSA-N",380333,NA,"PDBC37998","665861","Present",NA,NA
+"37999","LS-56857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-56857",NA,"CC(=C)C#CC(C1CCCCC1)(C(=O)OC2CN3CCC2CC3)O","JMTZQKLHHPNCSG-UHFFFAOYSA-N",380272,NA,"PDBC37999","665750","Present",NA,NA
+"38000","LS-56859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-56859",NA,"CC1C(C2CCN1CC2)OC(=O)C(C#CC(C)C)(C3CCCCC3)O","QAPPZPYLSRRINH-UHFFFAOYSA-N",380300,NA,"PDBC38000","665780","Present",NA,NA
+"38001","LS-57550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-57550",NA,"CC1=C(CC(C(C1)(C#N)C#N)(C#N)C#N)C","CKESBCLFVFLERD-UHFFFAOYSA-N",50316,NA,"PDBC38001","659167","Present",NA,NA
+"38002","LS-57553",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-57553",NA,"CC1=CC(C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O)O","MXANCGMHRZANOV-UHFFFAOYSA-N",215054,NA,"PDBC38002","659269","Present",NA,NA
+"38003","LS-57574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-57574",NA,"CC1=CC(=O)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O","NGQSHSNHDAUHIQ-UHFFFAOYSA-N",377677,NA,"PDBC38003","659257","Present",NA,NA
+"38004","LS-57627",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-57627",NA,"CC1CC(CC(C1)NC2=NCCO2)C","JJZCPNNQNQADNU-UHFFFAOYSA-N",379517,NA,"PDBC38004","664175","Present",NA,NA
+"38005","LS-57989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-57989",NA,"CC(=C)C#CC(C1CCCC1)(C(=O)OC2CCN(CC2)C)O","BMRYDVWUGRWEAY-UHFFFAOYSA-N",380271,NA,"PDBC38005","665749","Present",NA,NA
+"38006","LS-58005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58005",NA,"CC#CC(C1CCCC1)(C(=O)OC2CC(N(C(C2)(C)C)C)C)O","BQMGCDFTZFMGQF-UHFFFAOYSA-N",380339,NA,"PDBC38006","665867","Present",NA,NA
+"38007","LS-58006",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58006",NA,"CC#CC(C1CCCC1)(C(=O)OC2CCC3CCC2N3C)O","VFBVCMGOMRPOLG-UHFFFAOYSA-N",380358,NA,"PDBC38007","665880","Present",NA,NA
+"38008","LS-58007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58007",NA,"CC#CC(C1CCCC1)(C(=O)OC2CC3CCC(C2)N3C)O","HGUNQPJVAVUBKB-UHFFFAOYSA-N",380286,NA,"PDBC38008","665766","Present",NA,NA
+"38009","LS-58059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58059",NA,"C1CC(C(C1)O)C(C(F)(F)F)(C(F)(F)F)O","NTZTXVLAIORZPJ-UHFFFAOYSA-N",215053,NA,"PDBC38009","664182","Present",NA,NA
+"38010","LS-58065",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58065",NA,"C1CC(C(=O)C1C(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","PLJLDBYXNJNTPM-UHFFFAOYSA-N",377631,NA,"PDBC38010","659210","Present",NA,NA
+"38011","LS-58067",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58067",NA,"C1CC(C(=O)C1C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","NVMISAZNGOTJHN-UHFFFAOYSA-N",379524,NA,"PDBC38011","664181","Present",NA,NA
+"38012","LS-58073",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58073",NA,"C1CC(C(=NNC(=S)N)C1)C(C(F)(F)Cl)(C(F)(F)Cl)O","RJBNNYJHGGOJCR-YAXRCOADSA-N",9571420,NA,"PDBC38012","659219","Present",NA,NA
+"38013","LS-59947",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-59947",NA,"C1CCCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CCCC(=O)C4=CC=CC=C4","PKVGWESEWCDZAN-UHFFFAOYSA-N",380295,NA,"PDBC38013","665776","Present",NA,NA
+"38014","LS-59953",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-59953",NA,"C1CCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CC4=CC=CC=C4","MYPOMDOUBCVDOK-UHFFFAOYSA-N",380313,NA,"PDBC38014","665792","Present",NA,NA
+"38015","LS-59960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-59960",NA,"CN(C)N1C(=O)CC2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F","ILVXNXRHHAUIEM-UHFFFAOYSA-N",380314,NA,"PDBC38015","665793","Present",NA,NA
+"38016","LS-59969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-59969",NA,"C1CCCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F","ALGMMJAQGMCYIY-UHFFFAOYSA-N",380292,NA,"PDBC38016","665773","Present",NA,NA
+"38017","LS-65387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-65387",NA,"CN(C)CCNC1=C(SC2=C1C=C(C=C2)Cl)[N+](=O)[O-]","ZSXCIADKDAEEHK-UHFFFAOYSA-N",381648,NA,"PDBC38017","668467","Present",NA,NA
+"38018","LS-66464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-66464",NA,"CN(CCC1COC2=CC=CC=C2O1)CCO","RLTYCLLSHWGJIQ-UHFFFAOYSA-N",379225,NA,"PDBC38018","663639","Present",NA,NA
+"38019","LS-66467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-66467",NA,"CN(CCCC1COC2=CC=CC=C2O1)CCO","PARIMXMLMWNNGN-UHFFFAOYSA-N",377586,NA,"PDBC38019","659153","Present",NA,NA
+"38020","LS-66553",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-66553",NA,"CCCCC1=CC=C(C=C1)NC2=NC=C3C(=N2)N(C=N3)COCCO","QMABODYKRJKKHP-UHFFFAOYSA-N",387675,NA,"PDBC38020","681700","Present",NA,NA
+"38021","LS-69554",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69554",NA,"CC(C)(C)C1CCC(CC1)N=CN(C)C","WAGLFJVCCDGXDP-UHFFFAOYSA-N",58270,NA,"PDBC38021","168649","Present",NA,NA
+"38022","LS-69623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69623",NA,"CN(C)C=NC1=C2CCCCC2=NC3=CC=CC=C31","JJBUZCHGNWYIGM-UHFFFAOYSA-N",58298,NA,"PDBC38022","665665","Present",NA,NA
+"38023","LS-69643",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69643",NA,"C[N+](C)(C)C=NC1=CC=CC2=C1CCCC2.[I-]","ILRLVDKMRXPQKH-UHFFFAOYSA-M",59031,NA,"PDBC38023","665672","Present",NA,NA
+"38024","LS-70137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-70137",NA,"C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC=CO4","HWTFFBNCPZGJJP-UHFFFAOYSA-N",391221,NA,"PDBC38024","690118","Present",NA,NA
+"38025","LS-71917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-71917",NA,"CCCCCCCCCC(=O)NC(CCC(=O)N(CCNC(=O)C1=C(OC(=N1)C2=CC=CC=C2)C3=CC=CC=C3)CC4=CC=CC=C4)C(=O)O","WEKFGLUSHCQPGG-UHFFFAOYSA-N",396038,NA,"PDBC38025","701267","Present",NA,NA
+"38026","LS-74464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-74464",NA,"C(C(=O)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","FKYJZNQRMGYNOF-UHFFFAOYSA-N",59091,NA,"PDBC38026","659177","Present",NA,NA
+"38027","LS-74465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-74465",NA,"C(C(=NO)CC(C(F)(F)Cl)(C(F)(F)Cl)O)C(C(F)(F)Cl)(C(F)(F)Cl)O","RFBJFEPPFAZMQR-UHFFFAOYSA-N",59092,NA,"PDBC38027","659258","Present",NA,NA
+"38028","LS-74467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-74467",NA,"C(CCl)C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","KCSCCVGBCPYEOH-UHFFFAOYSA-N",59094,NA,"PDBC38028","664301","Present",NA,NA
+"38029","LS-74472",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-74472",NA,"C(C(=NN=C(CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","HDXYKTXHFBJCQB-UHFFFAOYSA-N",59097,NA,"PDBC38029","659205","Present",NA,NA
+"38030","LS-74476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-74476",NA,"C1=CC=C(C=C1)C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O","ZLNCPJIQFZRCCT-UHFFFAOYSA-N",59101,NA,"PDBC38030","664313","Present",NA,NA
+"38031","LS-75098",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-75098",NA,"CC(C)(C)C(CC(C(F)(F)F)(C(F)(F)F)O)O","MYLMNOAFAYNVFZ-UHFFFAOYSA-N",36949,NA,"PDBC38031","664187","Present",NA,NA
+"38032","LS-75757",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-75757",NA,"CC(C)C(C#CC(=C)C)(C(=O)OC1CCN(CC1)C)O","CFZMIFMEOHIJET-UHFFFAOYSA-N",58516,NA,"PDBC38032","665865","Present",NA,NA
+"38033","LS-75758",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-75758",NA,"CC(C)C(C#CC(=C)C)(C(=O)OC1CN2CCC1CC2)O","OIPYMFMOSBQFCM-UHFFFAOYSA-N",58517,NA,"PDBC38033","665866","Present",NA,NA
+"38034","LS-77867",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-77867",NA,"C1CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=CC=CC=C5)O","RCJJPMUSLRERST-UHFFFAOYSA-N",395636,NA,"PDBC38034","700418","Present",NA,NA
+"38035","LS-79009",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-79009",NA,"CCOC(=O)CN1C(=O)C(=O)N(C1=O)C2=CC=C(C3=CC=CC=C32)OC","QLYJIGRAKDGNNG-UHFFFAOYSA-N",58522,NA,"PDBC38035","663971","Present",NA,NA
+"38036","LS-81057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-81057",NA,"CC1=C2CCCC2=C(C=C1)NC3=NCCO3","RDYCAKQBFMMLOY-UHFFFAOYSA-N",379598,NA,"PDBC38036","664293","Present",NA,NA
+"38037","LS-81568",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-81568",NA,"C1=CC=C(C(=C1)CN2C3=CC=CC=C3C(=O)N2)Cl","SOLDYCGMHQNPBO-UHFFFAOYSA-N",120949,NA,"PDBC38037","675826","Present",NA,NA
+"38038","LS-81577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-81577",NA,"C1CCC2=C(C1)C(=O)N(N2)C3=NC(=C(C(=O)N3)C4=CC=CC=C4)O","OKQGTEMNYNEOJQ-UHFFFAOYSA-N",387156,NA,"PDBC38038","680670","Present",NA,NA
+"38039","LS-81895",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-81895",NA,"C1C2CC(=O)NN=C2C3=C1C=CC(=C3)N","SHLKSZCXCGJHBR-UHFFFAOYSA-N",362753,NA,"PDBC38039","627012","Present",NA,NA
+"38040","LS-82081",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-82081",NA,"CCN(CC)C(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3","INSALCBJIJDADX-UHFFFAOYSA-N",381974,NA,"PDBC38040","669284","Present",NA,NA
+"38041","LS-86334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-86334",NA,"CC1=CC(=NC2=C1C(=O)N(S2)CN3CCC(CC3)(C4=CC=CC=C4)C(=O)C)C","JQEZGWZGQIGIKL-UHFFFAOYSA-N",401090,NA,"PDBC38041","713913","Present",NA,NA
+"38042","LS-86345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-86345",NA,"CC1=CC(=NC2=C1C(=O)N(S2)CN3CCC(CC3)(C4=CC=CC=C4)O)C","WYYPQJJTWRQMQP-UHFFFAOYSA-N",401091,NA,"PDBC38042","713914","Present",NA,NA
+"38043","LS-86351",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-86351",NA,"CC1=CC(=NC2=C1C(=O)N(S2)CN3CCN(CC3)C4=CC=CC=C4)C","NSUNHQVKGYEDJF-UHFFFAOYSA-N",399235,NA,"PDBC38043","709908","Present",NA,NA
+"38044","LS-86368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-86368",NA,"CSC1=C2C3=C(C(=NN=N3)Cl)SC2=NS1","VLBJEKJZDMWFTA-UHFFFAOYSA-N",363926,NA,"PDBC38044","629414","Present",NA,NA
+"38045","LS-87499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-87499",NA,"CCCCCCOP(=O)(OCCCCCC)OC(C(=O)OC)C(F)(F)F","VULSCMWMOQMCEZ-UHFFFAOYSA-N",389112,NA,"PDBC38045","684797","Present",NA,NA
+"38046","LS-88913",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-88913",NA,"CC1=COC(CC1)(C)C=C(C#N)C#N","LYZBGHYQNCVQIB-UHFFFAOYSA-N",58846,NA,"PDBC38046","664252","Present",NA,NA
+"38047","LS-89059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-89059",NA,"CCC#CC(C1=CC=CC=C1)(C(=O)OC2CC3CCC(C2)N3C)O","CPSOCUUSNHHZOV-UHFFFAOYSA-N",58877,NA,"PDBC38047","665769","Present",NA,NA
+"38048","LS-89076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-89076",NA,"C1CC=C(C1)C(C2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O","HRGZDUGJXKGXRU-UHFFFAOYSA-N",58885,NA,"PDBC38048","665875","Present",NA,NA
+"38049","LS-89146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-89146",NA,"CC1C(C2CCN1CC2)OC(=O)C(C#CC(=C)C)(C3=CC=CC=C3)O","VAZMYEINDVOWBR-UHFFFAOYSA-N",58816,NA,"PDBC38049","665860","Present",NA,NA
+"38050","LS-89148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-89148",NA,"CC(=C)C#CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O","GBTXSVZHHMYRNF-UHFFFAOYSA-N",58817,NA,"PDBC38050","665760","Present",NA,NA
+"38051","LS-90719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-90719",NA,"C1CC2CC1C3=C2SC(C3F)(F)F","BNWKOGOFYDNKHF-UHFFFAOYSA-N",379828,NA,"PDBC38051","664959","Present",NA,NA
+"38052","LS-91147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-91147",NA,"CC1=CC(=NC2=C1C(=O)C(=C(C3=CC=C(C=C3)Br)O)N(S2(=O)=O)CCCN4CCN(CC4)C5=CC(=CC=C5)Cl)C","PSHGMWAURZIZNS-RQZHXJHFSA-N",5471796,NA,"PDBC38052","713727","Present",NA,NA
+"38053","LS-91170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-91170",NA,"CC1=CC(=NC2=C1C(=O)C(=C(C3=CC=C(C=C3)Cl)O)N(S2(=O)=O)CCCN4CCN(CC4)C5=CC=CC(=C5)C(F)(F)F)C","QEGKPHFRSLKKQU-RQZHXJHFSA-N",5471802,NA,"PDBC38053","713761","Present",NA,NA
+"38054","LS-91176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-91176",NA,"CC1=CC(=NC2=C1C(=O)C(=C(C3=CC=CC=C3)O)N(S2(=O)=O)CCCN4CCN(CC4)C5=CC(=CC=C5)Cl)C","NHEWCORKHUJIIF-RQZHXJHFSA-N",5471795,NA,"PDBC38054","713726","Present",NA,NA
+"38055","LS-91344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-91344",NA,"C1CC2CC1C3C2[Se]C(C3(F)F)(F)F","PHSQTDFFDQCHTE-UHFFFAOYSA-N",379831,NA,"PDBC38055","664962","Present",NA,NA
+"38056","LS-93289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-93289",NA,"C1COCCN1C(=O)CN2C3=CC=CC=C3C=C2C4=CC=CC=C4","ZUQMJTPHFCMCHD-UHFFFAOYSA-N",381976,NA,"PDBC38056","669286","Present",NA,NA
+"38057","LS-95062",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-95062",NA,"C1CC(=CC2=CC=C(C=C2)O)C(=O)C3=CC=CC=C31","SRJMKMQJTLCMRQ-SDNWHVSQSA-N",5468147,NA,"PDBC38057","665348","Present",NA,NA
+"38058","LS-95466",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-95466",NA,"C1CC2=CC=CC=C2C(C1C(C(F)(F)F)(C(F)(F)F)O)O","XIRXXXXJQVXTQG-UHFFFAOYSA-N",36948,NA,"PDBC38058","664183","Present",NA,NA
+"38059","LS-95659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-95659",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","PUJNJVCNZLKFBQ-UHFFFAOYSA-N",23366,NA,"PDBC38059","39355","Present",NA,NA
+"38060","LS-95721",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-95721",NA,"C1CCC2C(C1)CCCC2NC3=NCCO3","ARGKDOYQHZOQEK-UHFFFAOYSA-N",57937,NA,"PDBC38060","664969","Present",NA,NA
+"38061","LS-95822",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-95822",NA,"CC1=CC(=C2CCCCC2=C1C)NC3=NCCO3","GTUOHYYXUFZLSU-UHFFFAOYSA-N",53736,NA,"PDBC38061","664190","Present",NA,NA
+"38062","LS-95849",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-95849",NA,"CN(C1=CC=CC2=C1CCCC2)C3=NCCO3","GZNNPSLOTUSZII-UHFFFAOYSA-N",379584,NA,"PDBC38062","664273","Present",NA,NA
+"38063","LS-95858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-95858",NA,"C1CCC2=C(C1)C=CC(=C2)NC3=NCCO3","OTBQDOKDJFEZPM-UHFFFAOYSA-N",379519,NA,"PDBC38063","664177","Present",NA,NA
+"38064","LS-96853",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-96853",NA,"C(C(=O)CC(C(F)(F)F)(C(F)(F)F)O)C(=O)CC(C(F)(F)F)(C(F)(F)F)O","FXKRUMSLBBAAEF-UHFFFAOYSA-N",58984,NA,"PDBC38064","160019","Present",NA,NA
+"38065","LS-97237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-97237",NA,"CC(C)(C)NC(=O)CCC1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)NC(C)(C)C","DLKUHVHBTOANNM-UHFFFAOYSA-N",379824,NA,"PDBC38065","664954","Present",NA,NA
+"38066","LS-97508",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-97508",NA,"C1CC2CC(CC1N2CCCC(C3=CC=CC=C3)(C4=CC=CC=C4)O)(C5=CC=CC=C5)O","WVYHWXIPRDZZRF-UHFFFAOYSA-N",380284,NA,"PDBC38066","665764","Present",NA,NA
+"38067","LS-97512",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-97512",NA,"C1CC2CC(CC1N2CCC3=CC=CC=C3)(C4=CC=CC=C4)O","GCNACBRBJGYUFP-UHFFFAOYSA-N",380280,NA,"PDBC38067","665759","Present",NA,NA
+"38068","LS-97918",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-97918",NA,"CC(=O)CCC(=O)CC(C(F)(F)F)(C(F)(F)F)O","YAQPNPYBHOXZOJ-UHFFFAOYSA-N",59062,NA,"PDBC38068","664261","Present",NA,NA
+"38069","LS-98619",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-98619",NA,"CC1(C2(CCN(CC2)CC3=CC=CC=C3)CC(=O)O1)C","ZSNQTNXQNSSTTB-UHFFFAOYSA-N",380301,NA,"PDBC38069","665781","Present",NA,NA
+"38070","LSZ-102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LSZ-102",NA,"CC(C1=C(C=CC(=C1)F)C2=C(C3=C(S2)C=C(C=C3)O)OC4=CC=C(C=C4)C=CC(=O)O)(F)F","SJXNPGGVGZXKKI-NYYWCZLTSA-N",118574930,NA,"PDBC38070","814025","Present",NA,NA
+"38071","LTFADDCIWASCTO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LTFADDCIWASCTO-UHFFFAOYSA-N",NA,"C1C2C(C3=C(O1)C=C(C=C3)O)OC4=CC=CC=C24","LTFADDCIWASCTO-UHFFFAOYSA-N",391074,NA,"PDBC38071","689608","Present",NA,NA
+"38072","LUF-5484",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LUF-5484",NA,"C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC(=C(C=C3)Cl)Cl","VBHZVGMOPSACQD-UHFFFAOYSA-N",403297,NA,"PDBC38072","718003","Present",NA,NA
+"38073","LXH-254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LXH-254",NA,"CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC=C2)C(F)(F)F)C3=CC(=NC(=C3)OCCO)N4CCOCC4","UEPXBTCUIIGYCY-UHFFFAOYSA-N",90456533,NA,"PDBC38073","807047","Present",NA,NA
+"38074","LXS-196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LXS-196",NA,"CC1(CCN(CC1)C2=C(N=CC=C2)NC(=O)C3=NC(=CN=C3N)C4=C(C=CC=N4)C(F)(F)F)N","XXJXHXJWQSCNPX-UHFFFAOYSA-N",118873253,NA,"PDBC38074","800030","Present",NA,NA
+"38075","LY-3177833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-3177833",NA,"CC1(C2=C(C=C(C=C2)C3=CNN=C3)C(=O)N1)C4=NC=NC=C4F","KNLVLWZENYQYRT-MRXNPFEDSA-N",81689696,NA,"PDBC38075","793585","Present",NA,NA
+"38076","LY-3200882",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-3200882",NA,"CC(C)(C1=NC=CC(=C1)NC2=NC=CC(=C2)OC3=CN(N=C3C4CCOCC4)C5CC5)O","PNPFMWIDAKQFPY-UHFFFAOYSA-N",121249291,NA,"PDBC38076","802451","Present",NA,NA
+"38077","LY-3214996",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-3214996",NA,"CC1(C2=C(C=C(S2)C3=NC(=NC=C3)NC4=CC=NN4C)C(=O)N1CCN5CCOCC5)C","JNPRPMBJODOFEC-UHFFFAOYSA-N",121408882,NA,"PDBC38077","803410","Present",NA,NA
+"38078","LY3295668",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY3295668",NA,"CC1CC(CCN1CC2=C(C(=CC=C2)Cl)F)(CC3=C(C=CC(=N3)NC4=NNC(=C4)C)F)C(=O)O","YQQZZYYQTCPEAS-OYLFLEFRSA-N",121333423,NA,"PDBC38078","816863","Present",NA,NA
+"38079","Labd-13-ene-8,15-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(13e)-13-labdene-8,15-diol",NA,"CC(=CCO)CCC1C2(CCCC(C2CCC1(C)O)(C)C)C","LEOHDQKUMQKLMP-NUKBDRAPSA-N",5471228,NA,"PDBC38079","709593","Present",NA,NA
+"38080","Labriformin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Labriformin",NA,"CC1CC2(C3(C(O1)OC4CC5CC6C7(O6)C(C5(CC4O3)C)C(C(=O)C8(C7(CCC8C9=CC(=O)OC9)O)C)O)O)N=CCS2","BGKAKFOJZRBENJ-OWLIRKHKSA-N",372740,NA,"PDBC38080","648338","Present",NA,NA
+"38081","Lacidipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lacidipine",NA,NA,"CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C=CC(=O)OC(C)(C)C)C(=O)OCC)C)C","GKQPCPXONLDCMU-CCEZHUSRSA-N",5311217,NA,"PDBC38081",NA,"Absent",NA,NA
+"38082","Lactococcin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lactococcin",NA,"CC1=CC2=C(C=C1C)N=C(C(=O)N2)C(C(=O)C(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)OC","XJAJBFWPYSQCKP-UHFFFAOYSA-N",371544,NA,"PDBC38082","645873","Present",NA,NA
+"38083","Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/ Carbamo...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/ Carbamo...",NA,"C1=C(C(=O)NC(=O)N1C(=O)NCCCCCCNC(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C(C(C(C(CO)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)F","ULNLTPFCOWQWFY-UHFFFAOYSA-N",363287,NA,"PDBC38083","628083","Present",NA,NA
+"38084","Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/Carbamoy...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lactose/Amide/PEG Amine/Carbamoyl/Hexamethylene/Carbamoy...",NA,NA,NA,NA,NA,"PDBC38084","628537","Present",NA,NA
+"38085","Lagosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lagosin///Fungichromin",NA,"CCCCCC(C1C(CC(CC(CC(CC(CC(C(C(C(=CC=CC=CC=CC=CC(C(OC1=O)C)O)C)O)O)O)O)O)O)O)O)O","AGJUUQSLGVCRQA-DBHIOOTNSA-N",5358751,NA,"PDBC38085","276732///277813","Present",NA,NA
+"38086","Lalibinone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ialibinone B",NA,"CC(C)C(=O)C1=C(C23CC(C(C2CC(C1=O)(C3=O)C)(C)C)C(=C)C)O","VPSKKVOYHJNEPR-AZSXHDHRSA-N",135436327,NA,"PDBC38086","719238","Present",NA,NA
+"38087","Lambdamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chartreusin",NA,"CC1C(C(C(C(O1)OC2=CC=CC3=C2C4=C5C6=C(C=CC(=C6C(=O)O4)C)OC(=O)C5=C3O)OC7C(C(C(C(O7)C)O)OC)O)O)O","PONPPNYZKHNPKZ-UHFFFAOYSA-N",5351130,NA,"PDBC38087","5159","Present",NA,NA
+"38088","Lambertianic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lambertianic acid",NA,"CC12CCCC(C1CCC(=C)C2CCC3=COC=C3)(C)C(=O)O","ZQHJXKYYELWEOK-FQVATPOOSA-N",6712281,NA,"PDBC38088","664875","Present",NA,NA
+"38089","Lamuran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sarpan",NA,"CC1C2CN3CCC4=C(C3CC2C(=CO1)C(=O)OC)NC5=CC=CC=C45","GRTOGORTSDXSFK-UHFFFAOYSA-N",251561,NA,"PDBC38089","72133","Present",NA,NA
+"38090","Landomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Landomycin A",NA,"CC1C(CCC(O1)OC2CC(OC(C2O)C)OC3C(OC(CC3O)OC4CCC(OC4C)OC5CC(OC(C5O)C)OC6C(OC(CC6O)OC7=C8C(=C(C=C7)O)C(=O)C9=C(C8=O)C(CC1=C9C(=CC(=C1)C)O)O)C)C)O","YMSZNAXJMXNNPT-OELAXGSHSA-N",368342,NA,"PDBC38090","639187","Present",NA,NA
+"38091","Landomycin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Landomycin E",NA,"CC1C(CCC(O1)OC2CC(OC(C2O)C)OC3C(OC(CC3O)OC4=C5C(=C(C=C4)O)C(=O)C6=C(C5=O)C(CC7=C6C(=CC(=C7)C)O)O)C)O","RYRHTBKDZLGPGI-UHFFFAOYSA-N",399246,NA,"PDBC38091","709922","Present",NA,NA
+"38092","Lankacidin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lankacidin C",NA,"CC1C2CC(C=CC(=CCC(C=CC(=CC(C(C1=O)(C(=O)O2)C)NC(=O)C(=O)C)C)O)C)O","ATDILMLBOZKFGI-MPJWFRRFSA-N",6037480,NA,"PDBC38092","145118","Present",NA,NA
+"38093","Lapachol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lapachol",NA,"CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C","CWPGNVFCJOPXFB-UHFFFAOYSA-N",3884,NA,"PDBC38093","11905","Present",NA,NA
+"38094","Lapachol epoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LAPACHOL EPOXIDE",NA,"CC(C)(C1COC2=C1C(=O)C3=CC=CC=C3C2=O)O","FZEWOHZQRSNZBB-UHFFFAOYSA-N",314883,NA,"PDBC38094","235178","Present",NA,NA
+"38095","Lapachol glucoside tetraacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lapachol glucoside tetraacetate",NA,"CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","FMNSNVSJQBSOAM-UHFFFAOYSA-N",323592,NA,"PDBC38095","285109","Present",NA,NA
+"38096","Lapachol, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lapachol, sodium salt",NA,"CC(=CCC1=C(C2=CC=CC=C2C(=O)C1=O)O)C.[Na+]","CDAVGRAVEFHYJH-UHFFFAOYSA-N",23615791,NA,"PDBC38096","125177","Present",NA,NA
+"38097","Largomycin F-II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Largomycin F-II",NA,NA,NA,NA,NA,"PDBC38097","237020","Present",NA,NA
+"38098","Lariphan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lariphan",NA,NA,NA,NA,NA,"PDBC38098","653865","Present",NA,NA
+"38099","Larotrectinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LOXO-101",NA,"C1CC(N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CCC(C4)O)C5=C(C=CC(=C5)F)F","NYNZQNWKBKUAII-KBXCAEBGSA-N",46188928,NA,"PDBC38099","785570","Present",NA,NA
+"38100","Laserolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Laserolide",NA,"CC=C(C)C(=O)OC1C=C(CCC=C(CC2C1C(C(=O)O2)(C)OC(=O)C)C)C","WWJDCBOSKSEBLO-HMOZVCCUSA-N",5381057,NA,"PDBC38100","109433","Present",NA,NA
+"38101","Lasiocarpine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lasiocarpine",NA,"CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(C(C)OC)(C(C)(C)O)O","QHOZSLCIKHUPSU-LPLKQDONSA-N",5281735,NA,"PDBC38101","30625","Present",NA,NA
+"38102","Latrunculin a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Latrunculin A",NA,"CC1CCC2CC(CC(O2)(C3CSC(=O)N3)O)OC(=O)C=C(CCC=CC=C1)C","DDVBPZROPPMBLW-IZGXTMSKSA-N",445420,NA,"PDBC38102","613011","Present",NA,NA
+"38103","Laudanosolinium, bromide (+-)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Laudanosolinium, 2-methyl-, bromide (.+-.)-",NA,"C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)O)O)O)C.[Br-]","HUZUHDCHZYBHGN-UHFFFAOYSA-N",5351989,NA,"PDBC38103","121848","Present",NA,NA
+"38104","Laureatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Laureatin",NA,"CCC(C1CC(C2CC(O2)C(O1)CC=CC#C)Br)Br","QVSXXUNREJZJAN-AATRIKPKSA-N",5458234,NA,"PDBC38104","122226","Present",NA,NA
+"38105","Laurolinium acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Laurodin",NA,"CCCCCCCCCCCC[N+]1=C(C=C(C2=CC=CC=C21)N)C.CC(=O)[O-]","WFENCVFYUBXRSH-UHFFFAOYSA-N",67354,NA,"PDBC38105","66214","Present",NA,NA
+"38106","Lauryl isoquinolinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isothan",NA,"CCCCCCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[Br-]","MSJLMQTXVKCUCD-UHFFFAOYSA-M",7132,NA,"PDBC38106","20909","Present",NA,NA
+"38107","Laurylisothiuronium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-dodecylthiuronium bromide",NA,"CCCCCCCCCCCCSC(=N)N.Br","WFERTJGZWKWNMF-UHFFFAOYSA-N",77086,NA,"PDBC38107","3505","Present",NA,NA
+"38108","Lavendustin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lavendustin a",NA,"C1=CC=C(C(=C1)CN(CC2=C(C=CC(=C2)O)O)C3=CC(=C(C=C3)O)C(=O)O)O","ULTTYPMRMMDONC-UHFFFAOYSA-N",3894,NA,"PDBC38108","678027","Present",NA,NA
+"38109","Lead, bis[(2-cyanoethyl)cyclohexylcarbamodithioato-S,S']...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lead, bis[(2-cyanoethyl)cyclohexylcarbamodithioato-S,S']...",NA,NA,NA,NA,NA,"PDBC38109","179074","Present",NA,NA
+"38110","Lead, tripropyl-p-tolylsulfonamido-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-87712",NA,"CCC[Pb](CCC)(CCC)NS(=O)(=O)C1=CC=C(C=C1)C","GNJBZWAHEQMOJF-UHFFFAOYSA-N",16683256,NA,"PDBC38110","659142","Present",NA,NA
+"38111","Leinamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"leinamycin",NA,"CC1C2=NC(=CS2)C=CC=CC(=O)C(C=C(CCC3(CC(=O)N1)C(C(=O)SS3=O)(C)O)C)O","ZHTRILQJTPJGNK-FYBAATNNSA-N",9849230,NA,"PDBC38111","645777","Present",NA,NA
+"38112","Leiopyrrole hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4N4RH67VMX",NA,"CCN(CC)CCOC1=CC=CC=C1N2C(=CC=C2C3=CC=CC=C3)C.Cl","JTOGCNWNXIHUHX-UHFFFAOYSA-N",26376,NA,"PDBC38112","83995","Present",NA,NA
+"38113","Lentinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lentinic acid",NA,"CS(=O)(=O)CS(=O)CS(=O)CS(=O)CC(C(=O)O)NC(=O)CCC(C(=O)O)N","YJXVNZXKWINDJO-UHFFFAOYSA-N",335576,NA,"PDBC38113","345718","Present",NA,NA
+"38114","Leonotis nepetaefolia extract",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nepetaefolinol",NA,"CC1CC(C2C3(CCCC2(C14CCC5(O4)CCOC5=O)COC3=O)C)(C)O","SXRSWIKTOZHQDT-UHFFFAOYSA-N",427380,NA,"PDBC38114","211498","Present",NA,NA
+"38115","Leprolomin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leprolomin",NA,"CC1=C(C(=C(C=C1OC)OC2=C(C(=C(C(=C2O)C)OC)C(=O)C)O)C(=O)C)O","QNCHFYWKVGDPCD-UHFFFAOYSA-N",155192,NA,"PDBC38115","646011","Present",NA,NA
+"38116","Leu-28-Asp",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cs2664",NA,"CC(C)CC(C(=O)NC(CO)C(=O)NC(C(C)O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCSC)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CO)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)N.CC(=O)O","BHZZDGYEJLGHAO-UHFFFAOYSA-N",45028999,NA,"PDBC38116","745104","Present",NA,NA
+"38117","Leucanthone, m-aminobenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leucanthone, m-aminobenzenesulfonate",NA,"CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.C1=CC(=CC(=C1)S(=O)(=O)O)N","WVLAPRLFSRGXRA-UHFFFAOYSA-N",234864,NA,"PDBC38117","35587","Present",NA,NA
+"38118","Leucanthone, p-aminobenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leucanthone, p-aminobenzenesulfonate",NA,"CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.C1=CC(=CC=C1N)S(=O)(=O)O","OTWYAXNLCLWOGD-UHFFFAOYSA-N",233758,NA,"PDBC38118","32720","Present",NA,NA
+"38119","Leucettamol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leucettamol A",NA,"CC(C(CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC(C(C)N)O)O)N","CXFKWMQQNSTRAS-UEBLXSIFSA-N",5468255,NA,"PDBC38119","666740","Present",NA,NA
+"38120","Leucinostatine D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leucinostatine D",NA,NA,NA,NA,NA,"PDBC38120","608984","Present",NA,NA
+"38121","Leucomycin A3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC116068///NSC122223",NA,"CC1CC=CC=CC(C(CC(C(C(C(CC(=O)O1)OC(=O)C)OC)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C)O","XJSFLOJWULLJQS-LIACPWMRSA-N",5474986,NA,"PDBC38121","116068///122223","Present",NA,NA
+"38122","Leupeptin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leupeptin",NA,"CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C=O)NC(=O)C.OS(=O)(=O)O","IBDASEYBOOUHFZ-UHFFFAOYSA-N",355987,NA,"PDBC38122","610939","Present",NA,NA
+"38123","Leuprorelin acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leuprolide",NA,"CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6.CC(=O)O","RGLRXNKKBLIBQS-UHFFFAOYSA-N",441410,NA,"PDBC38123","746847","Present",NA,NA
+"38124","Leurosine N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Leurosine N-oxide",NA,"CCC12C[N+]3(CCC4=C(C(CC(C3)C1O2)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41)[O-]","JTXQOORWDLJELA-UHFFFAOYSA-N",432153,NA,"PDBC38124","304421","Present",NA,NA
+"38125","Levamisole hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Levamisole hydrochloride",NA,"C1CSC2=NC(CN21)C3=CC=CC=C3.Cl","LAZPBGZRMVRFKY-HNCPQSOCSA-N",27944,NA,"PDBC38125","177023","Present",NA,NA
+"38126","Levatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Levatin",NA,"C=C1CCC23CC(CCC2C14CC(OC4=O)C5=COC=C5)OC3=O","UNKJMPBJRRFBEL-MMMABECUSA-N",5459226,NA,"PDBC38126","653858","Present",NA,NA
+"38127","Liatrigramin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Liatrigramin",NA,"CC(=CCOC(=O)C)C(=O)OC1CC2(CO2)C3C(C4C1C(=C)C(=O)O4)C5(C(C3O)O5)C","CENDVHAKXFHGQA-RPGWGAQBSA-N",5383722,NA,"PDBC38127","187686","Present",NA,NA
+"38128","Liatris laevigata lactone #2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LIATRIS LAEVIGATA LACTONE #2",NA,"CC=C(C)C(=O)OC1CC2(C(C3C1C(=C)C(=O)O3)C(=C)CCC2=O)C","RWXWIKVQXDTEMH-UXBLZVDNSA-N",5477810,NA,"PDBC38128","357288","Present",NA,NA
+"38129","Lificiguat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728165///NSC756879",NA,"C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)C4=CC=C(O4)CO","OQQVFCKUDYMWGV-UHFFFAOYSA-N",5712,NA,"PDBC38129","728165///756879","Present",NA,NA
+"38130","Liliogycoside H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Liliogycoside H",NA,"CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC19CCC(CO9)CO","BHGJAYRDOPBBLT-CMBMCHTRSA-N",399375,NA,"PDBC38130","710092","Present",NA,NA
+"38131","Lilly 16726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"symetine hydrochloride(usan)",NA,"CCCCCCN(C)CC1=CC=C(C=C1)OCCOC2=CC=C(C=C2)CN(C)CCCCCC.Cl","AWFUONMBAWWUCM-UHFFFAOYSA-N",54599576,NA,"PDBC38131","81908","Present",NA,NA
+"38132","Limonene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cinen",NA,"CC1=CCC(CC1)C(=C)C","XMGQYMWWDOXHJM-UHFFFAOYSA-N",22311,NA,"PDBC38132","844","Present",NA,NA
+"38133","Limonene dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dipentene oxide",NA,"CC12CCC(CC1O2)C3(CO3)C","RBHIUNHSNSQJNG-UHFFFAOYSA-N",232703,NA,"PDBC38133","30545","Present",NA,NA
+"38134","Linearifolin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MULTIGILIN",NA,"CC=C(C)C(=O)OC1C2C(C(C(C3C1(C(=O)C=C3)C)C)O)OC(=O)C2=C","UQFKZAAOUCMTRM-CEGIGBEESA-N",5281486,NA,"PDBC38134","265203","Present",NA,NA
+"38135","Linrodostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BMS-988205",NA,"CC(C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)Cl","KRTIYQIPSAGSBP-KLAILNCOSA-N",121328278,NA,"PDBC38135","799771","Present",NA,NA
+"38136","Lintenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lintenone",NA,"CC1CC(=O)C2C(C3(C2(C1(CC3)C)C)C)CCC(=CCCC4=CC(=O)OC4)C","SDTZLYYMKYPKGF-UMKPCWOVSA-N",5467982,NA,"PDBC38136","661426","Present",NA,NA
+"38137","Lipoxamycin, sulfate (salt)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lipoxamycin",NA,"CC(C)CCCC(=O)CCCCCCC(=O)CCN(C(=O)C(CO)N)O.OS(=O)(=O)O","VEVOPDGZLUUAAZ-UHFFFAOYSA-N",5351223,NA,"PDBC38137","106997","Present",NA,NA
+"38138","Liriodenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC215254///NSC93681",NA,"C1OC2=C(O1)C3=C4C(=C2)C=CN=C4C(=O)C5=CC=CC=C53","MUMCCPUVOAUBAN-UHFFFAOYSA-N",10144,NA,"PDBC38138","215254///93681","Present",NA,NA
+"38139","Lisavanbulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAL-101553",NA,"C1=CC=C2C(=C1)N=C(N2CC(=O)C3=CC=C(C=C3)NC(=O)C(CCCCN)N)C4=NON=C4NCCC#N","NIPZLALJRAHABJ-IBGZPJMESA-N",45259014,NA,"PDBC38139","764608","Present",NA,NA
+"38140","Liscunditrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Liscunditrin",NA,"CC=C(COC(=O)C)C(=O)OC1CC2(C(O2)C3C(O3)C(=CC4C1C(=C)C(=O)O4)CO)C","XUMWIQSSHLAZBI-BYDSPXIWSA-N",5477757,NA,"PDBC38140","354051","Present",NA,NA
+"38141","Lissoclinamide 7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lissoclinamide 7",NA,"CC1C2C(=O)NC(C3=NC(CS3)C(=O)NC(C4=NC(CS4)C(=O)NC(C(=O)N5CCCC5C(=N2)O1)CC6=CC=CC=C6)CC7=CC=CC=C7)C(C)C","RBBBWKUBQVARPL-SWQMWMPHSA-N",390558,NA,"PDBC38141","688044","Present",NA,NA
+"38142","Lissoclinidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lissoclinidine",NA,"CC(=O)NCCC1=C2C3=C(C=CN=C3C4=C1SCO4)C5=CC=CC=C5N2","GOVYAIZYFGHCQC-UHFFFAOYSA-N",10005246,NA,"PDBC38142","722357","Present",NA,NA
+"38143","Lissoclinolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lissoclinolide tetrenolin",NA,"C1=C(C(=O)OC1=CC=CCO)C=CCO","ZYNGLDJNLYFSIV-CZFMBXACSA-N",5472800,NA,"PDBC38143","721618","Present",NA,NA
+"38144","Lithium arsenate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lithium arsenate",NA,NA,NA,NA,NA,"PDBC38144","309956","Present",NA,NA
+"38145","Lithium;(3-amino-2-hydroxypropyl)sulfanylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC118217",NA,"[Li+].C(C(CSP(=O)(O)O)O)N","OIBYZPCJJBZRHQ-UHFFFAOYSA-N",54601539,NA,"PDBC38145","118217","Present",NA,NA
+"38146","Lithium;N-(2-amino-2-oxoethyl)-tridecylphosphonamidic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lithium;N-(2-amino-2-oxoethyl)-tridecylphosphonamidic acid",NA,"[Li+].CCCCCCCCCCCCCP(=O)(NCC(=O)N)O","WQUUJRJDGILOPK-UHFFFAOYSA-N",54598737,NA,"PDBC38146","639420","Present",NA,NA
+"38147","Litocholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Litocholic acid",NA,"CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","SMEROWZSTRWXGI-XKFRUQSQSA-N",376838,NA,"PDBC38147","657956","Present",NA,NA
+"38148","Lividomycin A sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lividomycin a",NA,"C1C(C(C(C(C1N)OC2C(CC(C(O2)CO)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)OC5C(C(C(C(O5)CO)O)O)O)O)N)O)O)N.OS(=O)(=O)O","STOAZZFOPVGXEX-UHFFFAOYSA-N",300054,NA,"PDBC38148","174120","Present",NA,NA
+"38149","Lmp-744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706743",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCO)OC","QCSDJDQOJBQTDV-UHFFFAOYSA-N",397888,NA,"PDBC38149","706743","Present",NA,NA
+"38150","Lmp7-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"M-3258",NA,"B(C(CC1=COC2=CC=CC=C21)NC(=O)C3CC4CCC3O4)(O)O","RFQDLTYXNINJON-OYNZBZHQSA-N",138319683,NA,"PDBC38150","818432","Present",NA,NA
+"38151","Lmu-5 herz",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LMU-5 HERZ",NA,"CC=C(CO)C(=O)OC1CC2(C(O2)C3C(O3)C(=CC4C1C(=C)C(=O)O4)CO)C","TZMBEJAHWVHDNJ-ZVSIBQGLSA-N",5477758,NA,"PDBC38151","354069","Present",NA,NA
+"38152","Lobaplatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, (1,2-cyclobutanedimethanamine-N,N') [2-hydroxy...",NA,"CC(C(=O)[O-])[O-].C1CC(C1CN)CN.[Pt+4]","XSMVECZRZBFTIZ-UHFFFAOYSA-M",24202037,NA,"PDBC38152","619413","Present",NA,NA
+"38153","Lobendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lobendazole///1H-Benzoimidazol-2-yl-carbamic acid",NA,"CCOC(=O)NC1=NC2=CC=CC=C2N1","OKOVSTKGUBOSTB-UHFFFAOYSA-N",22752,NA,"PDBC38153","42044///764935","Present",NA,NA
+"38154","Lobinaline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lobinaline, monohydrochloride",NA,"CN1CCCC2C1CC(C(C2C3=CC=CC=C3)C4=NCCCC4)C5=CC=CC=C5.Cl","OFACYIYGLBCJSK-UHFFFAOYSA-N",5351224,NA,"PDBC38154","109444","Present",NA,NA
+"38155","Lobolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lobolide",NA,"CC1=CCCC2(C(O2)CC3C(CC(=CCC1)C)OC(=O)C3=C)COC(=O)C","FZPXORVKUGLVCP-LPSKSUNQSA-N",5359032,NA,"PDBC38155","294712","Present",NA,NA
+"38156","Lofepramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LOFEPRAMINE",NA,NA,"CN(CCCN1C2=CC=CC=C2CCC3=CC=CC=C31)CC(=O)C4=CC=C(C=C4)Cl","SAPNXPWPAUFAJU-UHFFFAOYSA-N",3947,NA,"PDBC38156",NA,"Absent",NA,NA
+"38157","Lomerizine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lomerizine 2HCl",NA,NA,"COC1=C(C(=C(C=C1)CN2CCN(CC2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC)OC.Cl.Cl","LOGVKVSFYBBUAJ-UHFFFAOYSA-N",122125,NA,"PDBC38157",NA,"Absent",NA,NA
+"38158","Lomofungin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lomofungin///Lomondomycin",NA,"COC(=O)C1=C2C(=NC3=C(N2)C(=O)C=C(C3=CO)O)C(=O)C=C1","YDXARWIJAYOANV-FNORWQNLSA-N",135426834,NA,"PDBC38158","106995///156939","Present",NA,NA
+"38159","Lonchocarpic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lonchocarpic acid",NA,"CC(=CCC1=C2C(=C(C3=C1OC(C=C3)(C)C)OC)C(=C(C(=O)O2)C4=CC=C(C=C4)O)O)C","QKTFIWUHGFCLHF-UHFFFAOYSA-N",54683839,NA,"PDBC38159","307981","Present",NA,NA
+"38160","Longikaurin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Longikaurin B",NA,"CC(=O)OCC1(CCCC23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C","JMCGQPHJXFUMBU-WYJBFGOZSA-N",369902,NA,"PDBC38160","642099","Present",NA,NA
+"38161","Longimicin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Longimicin A",NA,"CCCCCCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCC(CC3=CC(OC3=O)C)O)O)O","JXPQTEZDMVYIHK-UOCXRWNNSA-N",393466,NA,"PDBC38161","695399","Present",NA,NA
+"38162","Longimicin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Longimicin D",NA,"CCCCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCC(CCCCCCCC3=CC(OC3=O)C)O)O)O","FOSMCUOHRDBFRX-UOCXRWNNSA-N",393467,NA,"PDBC38162","695400","Present",NA,NA
+"38163","Loratadine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"claritin",NA,"CCOC(=O)N1CCC(=C2C3=C(CCC4=C2N=CC=C4)C=C(C=C3)Cl)CC1","JCCNYMKQOSZNPW-UHFFFAOYSA-N",3957,NA,"PDBC38163","721075","Present",NA,NA
+"38164","Loxothyrin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Loxothyrin A",NA,"CC(=O)OCC1(CCC(C2(C1C=O)COC(=O)C34C2C(CC(C3)C(=C)C4=O)O)OC(=O)C)C","DESXTEYYECQGPC-METYIPFGSA-N",6712389,NA,"PDBC38164","679560","Present",NA,NA
+"38165","Lucanthone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lucanthone Hydrochloride",NA,"CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl","LAOOXBLMIJHMFO-UHFFFAOYSA-N",11054,NA,"PDBC38165","14574","Present",NA,NA
+"38166","Lunacrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lunacrine",NA,"CC(C)C1CC2=C(O1)N(C3=C(C2=O)C=CC=C3OC)C","FMEKJMQGMONLTQ-UHFFFAOYSA-N",96511,NA,"PDBC38166","77152","Present",NA,NA
+"38167","Lupane-3.beta.,20-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lupane-3.beta.,20-diol",NA,"CC1(C2CCC3(C(C2(CCC1O)C)CCC4C3(CCC5(C4C(CC5)C(C)(C)O)C)C)C)C","YDNYDUBBAZTLTQ-USJRMTBGSA-N",404317,NA,"PDBC38167","720499","Present",NA,NA
+"38168","Lupanine perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LUPANINE PERCHLORATE",NA,"C1CCN2CC3CC(C2C1)CN4C3CCCC4=O.OCl(=O)(=O)=O","DVZQTPMQQXAHSQ-UHFFFAOYSA-N",5351561,NA,"PDBC38168","59268","Present",NA,NA
+"38169","Lupene triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LUPENE TRIOL",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)CO","TWKNDDJHVQUEJF-UHFFFAOYSA-N",325735,NA,"PDBC38169","294921","Present",NA,NA
+"38170","Lupeol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lupeol",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)O)C)C","MQYXUWHLBZFQQO-QGTGJCAVSA-N",259846,NA,"PDBC38170","90487","Present",NA,NA
+"38171","Lupeol benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lupeol benzoate",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6)C)C","GGGPJWXHMZSCEW-WEZIXBNWSA-N",219629,NA,"PDBC38171","43869","Present",NA,NA
+"38172","Lupinine ether m-aminophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lupinine ether m-aminophenol",NA,"C1CCN2CCCC(C2C1)COC3=CC=CC(=C3)N","HDXSSQBGRXLIOW-UHFFFAOYSA-N",389441,NA,"PDBC38172","685534","Present",NA,NA
+"38173","Lupinine, o-methoxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lupinine, o-methoxybenzoic acid",NA,"COC1=CC=CC=C1C(=O)OCC2CCCN3C2CCCC3","AXUGOKFRYJOWGL-UHFFFAOYSA-N",4300598,NA,"PDBC38173","685529","Present",NA,NA
+"38174","Lurbinectedin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lurbinectedin",NA,"CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=C(CCN8)C2=C(N9)C=CC(=C2)OC)OCO7)C)OC(=O)C)C(=C1OC)O","YDDMIZRDDREKEP-HWTBNCOESA-N",57327016,NA,"PDBC38174","826275","Present",NA,NA
+"38175","Luteolin 4'-rutinoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Luteolin 4'-rutinoside",NA,"CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)C4CC(=O)C5=C(C=C(C=C5O4)O)O)O)O)O)O)O)O)O","DIRNQHAYLLOPKK-UHFFFAOYSA-N",378305,NA,"PDBC38175","660309","Present",NA,NA
+"38176","Luteolin 7-galactoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700145",NA,"C1=CC(=C(C=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)CO)O)O)O)O)O)O","PEFNSGRTCBGNAN-UHFFFAOYSA-N",5291488,NA,"PDBC38176","700145","Present",NA,NA
+"38177","Luteoskyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"luteoskyrin",NA,"CC1=CC(=C2C(=C1O)C(=O)C34C5C6C(C3C(=O)C7=C(C8=C(C=C(C(=C8C(=O)C67C(C5O)C(=O)C4=C2O)O)C)O)O)O)O","FAZDYVMEXQHRLI-UHFFFAOYSA-N",30840,NA,"PDBC38177","160879","Present",NA,NA
+"38178","Lychnophoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lychnophoic acid",NA,"CC1(CC2C1CCC(=CCCC2=C)C(=O)O)C","NXPSZVSYBXSYPZ-YCBFNFSOSA-N",5459294,NA,"PDBC38178","689859","Present",NA,NA
+"38179","Lychnopholide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lychnopholide",NA,"CC=C(C)C(=O)OC1CC2(C(=O)C=C(O2)C(=CC3C1C(=C)C(=O)O3)C)C","QATUWZPYBIHFFR-VYZJIMGLSA-N",54608207,NA,"PDBC38179","669145","Present",NA,NA
+"38180","Lycobetaine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LYCOBETAINE",NA,"C1C[N+]2=CC3=CC4=C(C=C3C5=CC(=CC1=C52)O)OCO4.[Cl-]","FYVINXPNJCVJEV-UHFFFAOYSA-N",5351323,NA,"PDBC38180","338259","Present",NA,NA
+"38181","Lymphosarcin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Quinazolinediamine, 5-chloro-6-[[(3,4-dichlorophenyl...",NA,"C1=CC(=C(C=C1NCC2=C(C3=C(C=C2)N=C(N=C3N)N)Cl)Cl)Cl","KBKJXVMKCWBZLB-UHFFFAOYSA-N",308111,NA,"PDBC38181","208652","Present",NA,NA
+"38182","Lyn-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773263",NA,"CC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)CN3CCC(C3)N(C)C)C(F)(F)F)NC4=NC=C(C=N4)C5=CN=CN=C5","ZOPBZHLJXQAQON-VWLOTQADSA-N",24853523,NA,"PDBC38182","773263","Present",NA,NA
+"38183","M-232",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"M-232",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCCCCC(=O)NO","AXUYKQYDXYCOFL-HNNXBMFYSA-N",403374,NA,"PDBC38183","718170","Present",NA,NA
+"38184","M-Azidopyrimethamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"M-Azidopyrimethamine",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)N=[N+]=[N-].CCS(=O)(=O)O","BZCOWENGBZUNOI-UHFFFAOYSA-N",343097,NA,"PDBC38184","382050","Present",NA,NA
+"38185","M0Q5HHK6RW",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"M0Q5HHK6RW",NA,"CCNC1=NC2=C(S1)N(C(=O)N(C2=O)C)C","VJTLGDOQLMJAIT-UHFFFAOYSA-N",238211,NA,"PDBC38185","42491","Present",NA,NA
+"38186","M2698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"M2698",NA,"C1CN(C1)CC(C2=CC(=C(C=C2)Cl)C(F)(F)F)NC3=NC=NC4=C3C=CC=C4C(=O)N","HXAUJHZZPCBFPN-QGZVFWFLSA-N",89808643,NA,"PDBC38186","795142","Present",NA,NA
+"38187","MACBECIN II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MACBECIN II",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=CC(=C2O)C1OC)O)C)C)OC(=O)N)C)C)OC)OC","SVSFCSOFEPJFSF-FOKZELFKSA-N",24199492,NA,"PDBC38187","330500","Present",NA,NA
+"38188","MASTOPARAN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MASTOPARAN",NA,"CCC(C)C(C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)N)N","MASXKPLGZRMBJF-UHFFFAOYSA-N",4016,NA,"PDBC38188","351907","Present",NA,NA
+"38189","MAZ-85",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MAZ-85",NA,"C1C(CN2C(=N1)C3=CC=CC=C3C2(C4=CC=C(C=C4)Cl)O)O","NBNAJQIHKIWRPS-UHFFFAOYSA-N",384077,NA,"PDBC38189","673299","Present",NA,NA
+"38190","MB1-29",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MB1-29",NA,"C1=CC(=C2C(=C1)SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)O)C(F)(F)F","LMBRUTDBWLTRCS-UHFFFAOYSA-N",121352591,NA,"PDBC38190","790385","Present",NA,NA
+"38191","MCS-663",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-663",NA,"CC(=O)NC(CCCNC(=O)N(C)N=O)C(=O)NCC1=CC=CC=C1","HPNPWVFCBNWWPD-UHFFFAOYSA-N",370439,NA,"PDBC38191","643535","Present",NA,NA
+"38192","MCS-664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-664",NA,"CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(C)N=O","KKPMREIERHDVFX-UHFFFAOYSA-N",370440,NA,"PDBC38192","643536","Present",NA,NA
+"38193","MCS-665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-665",NA,"CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)N(C)N=O)C(=O)NCC2=CC=CC=C2","QSHJJUVAJQXCIT-UHFFFAOYSA-N",370441,NA,"PDBC38193","643537","Present",NA,NA
+"38194","MCS-669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-669",NA,"CC(=O)NC(CCCCNC(=O)N(C)N=O)C(=O)NCC1=CC=CC=C1","DLXWYGPTFWVDPU-UHFFFAOYSA-N",370445,NA,"PDBC38194","643541","Present",NA,NA
+"38195","MCS-670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-670",NA,"CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(C)N=O","PUFIBAHYLNBWJV-UHFFFAOYSA-N",370446,NA,"PDBC38195","643542","Present",NA,NA
+"38196","MCS-671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-671",NA,"CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)N(C)N=O)C(=O)NCC2=CC=CC=C2","AXBZTAHDISJXOL-UHFFFAOYSA-N",370447,NA,"PDBC38196","643543","Present",NA,NA
+"38197","MCS-672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-672",NA,"CC(=O)NC(CCCNC(=O)NCC=C)C(=O)NCC1=CC=CC=C1","SOSGEVLLRYJZKW-UHFFFAOYSA-N",370683,NA,"PDBC38197","644070","Present",NA,NA
+"38198","MCS-675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-675",NA,"CC(=O)NC(CCCNC(=O)N(CC=C)N=O)C(=O)NCC1=CC=CC=C1","JARIZQCIPSZURJ-UHFFFAOYSA-N",370686,NA,"PDBC38198","644073","Present",NA,NA
+"38199","MCS-676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-676",NA,"CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(CC=C)N=O","FZYQPCWPPYPCAN-UHFFFAOYSA-N",370687,NA,"PDBC38199","644074","Present",NA,NA
+"38200","MCS-677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-677",NA,"CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)N(CC=C)N=O)C(=O)NCC2=CC=CC=C2","XPIGKGDGEODQOI-UHFFFAOYSA-N",370688,NA,"PDBC38200","644075","Present",NA,NA
+"38201","MCS-678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-678",NA,"CC(=O)NC(CCCCNC(=O)NCC=C)C(=O)NCC1=CC=CC=C1","SPHMGBXEEHIWKH-UHFFFAOYSA-N",370689,NA,"PDBC38201","644076","Present",NA,NA
+"38202","MCS-681",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-681",NA,"CC(=O)NC(CCCCNC(=O)N(CC=C)N=O)C(=O)NCC1=CC=CC=C1","NYJRGGMIIZJDLE-UHFFFAOYSA-N",370692,NA,"PDBC38202","644079","Present",NA,NA
+"38203","MCS-682",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-682",NA,"CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(CC=C)N=O","BJOIOOQNCUHQNP-UHFFFAOYSA-N",370693,NA,"PDBC38203","644080","Present",NA,NA
+"38204","MCS-683",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-683",NA,"CC(=O)NC(CCCCN(CC1=CC=CC=C1)C(=O)N(CC=C)N=O)C(=O)NCC2=CC=CC=C2","CYIYUUGKMBIITI-UHFFFAOYSA-N",370694,NA,"PDBC38204","644081","Present",NA,NA
+"38205","MCS-687",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-687",NA,"CC(=O)NC(CCCNC(=O)N(CCCl)N=O)C(=O)NCC1=CC=CC=C1","NYLLPNYPEUPHGG-UHFFFAOYSA-N",371060,NA,"PDBC38205","644959","Present",NA,NA
+"38206","MCS-688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-688",NA,"CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(CCCl)N=O","MFPSFAAJUFMIGH-UHFFFAOYSA-N",371061,NA,"PDBC38206","644960","Present",NA,NA
+"38207","MCS-689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-689",NA,"CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)N(CCCl)N=O)C(=O)NCC2=CC=CC=C2","NLPSZLLIPMXARH-UHFFFAOYSA-N",371062,NA,"PDBC38207","644961","Present",NA,NA
+"38208","MCS-693",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-693",NA,"CC(=O)NC(CCCCNC(=O)N(CCCl)N=O)C(=O)NCC1=CC=CC=C1","AZRMPLRFNYIFMG-UHFFFAOYSA-N",371066,NA,"PDBC38208","644965","Present",NA,NA
+"38209","MCS-694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-694",NA,"CCCN(CCCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)N(CCCl)N=O","ASCDYYZLLAECJM-UHFFFAOYSA-N",371067,NA,"PDBC38209","644966","Present",NA,NA
+"38210","MDP-C857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MDP-C857",NA,"CC(C(=O)NC(CCC(=O)OCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","NFHCKNWFZUFPRO-JXMOYSMYSA-N",371930,NA,"PDBC38210","646616","Present",NA,NA
+"38211","ME-3-Deoxy-3(3ME3nourea)xylopyranosid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Xylopyranoside, methyl 3-deoxy-3-(3-methyl-3-nitrosourei...",NA,"CN(C(=O)NC1C(COC(C1O)OC)O)N=O","MKNRCXHOUKTKSK-UHFFFAOYSA-N",290267,NA,"PDBC38211","153365","Present",NA,NA
+"38212","MEGxp0_001815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MEGxp0_001815",NA,"CC(=CCCC(=CC(CC(=CC(=O)OC)C)O)C)C","WNWGVZFTVATBCH-IJFRVEDASA-N",5469451,NA,"PDBC38212","688245","Present",NA,NA
+"38213","MEGxp0_001935",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MEGxp0_001935",NA,"CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5C(CC(C5=O)(C)C)C(C2OC(=O)C)(C4OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O","GVQACOLUOBLBLO-QLBLGQMTSA-N",11972628,NA,"PDBC38213","688233","Present",NA,NA
+"38214","MEK Inhibitor II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MEK Inhibitor II",NA,"C1CC(=O)N(C1=O)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","GYQSWJNGTWVFOL-UHFFFAOYSA-N",389898,NA,"PDBC38214","686549","Present",NA,NA
+"38215","MERBARONE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MERBARONE",NA,"C1=CC=C(C=C1)NC(=O)C2=C(NC(=S)NC2=O)O","GFYRZTLCYQQVHZ-UHFFFAOYSA-N",3000671,NA,"PDBC38215","336628","Present",NA,NA
+"38216","METHYL CALCEIN BLUE,",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"METHYL CALCEIN BLUE,",NA,"CC1=CC(=O)OC2=C1C=C(C(=C2)O)CN(C)CC(=O)O","KRMRPQPGZHQMDD-UHFFFAOYSA-N",5384392,NA,"PDBC38216","328200","Present",NA,NA
+"38217","MI-219 (Mdm-2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MI-219",NA,"CC(C)(C)CC1C2(C(C(N1)C(=O)NCCC(CO)O)C3=CC(=CC=C3)Cl)C4=CC(=C(C=C4NC2=O)Cl)F","UNXQGBMZYKHQCO-MVCZWWRHSA-N",121458548,NA,"PDBC38217","754360","Present",NA,NA
+"38218","MI-773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MI-773",NA,"CC(C)(C)CC1C2(C(C(N1)C(=O)NC3CCC(CC3)O)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(C=C5)Cl)NC2=O","IDKAKZRYYDCJDU-YJRDPZTCSA-N",52938482,NA,"PDBC38218","781009","Present",NA,NA
+"38219","MJO5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MJO5",NA,NA,NA,NA,NA,NA,"PDBC38219",NA,"Absent",NA,NA
+"38220","MK-0429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-0429",NA,"COC1=NC=C(C=C1)C(CC(=O)O)N2CCN(C2=O)CCCC3=NC4=C(CCCN4)C=C3","HGFOOLONGOBCMP-IBGZPJMESA-N",9853559,NA,"PDBC38220","776790","Present",NA,NA
+"38221","MK-0731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-0731",NA,"CN1CCC(C(C1)F)N(C)C(=O)N2CC(=CC2(CO)C3=CC=CC=C3)C4=C(C=CC(=C4)F)F","MYBGWENAVMIGMM-GIFXNVAJSA-N",11655511,NA,"PDBC38221","780965","Present",NA,NA
+"38222","MK-2048",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-2048",NA,"CCN1CC(N2C3=C(C(=C2C1=O)O)C(=O)N(N=C3C(=O)NC)CC4=CC(=C(C=C4)F)Cl)C","JSRREMIKIHJGAA-SNVBAGLBSA-N",90850586,NA,"PDBC38222","772889","Present",NA,NA
+"38223","MK-8033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MK-8033",NA,"CN1C=C(C=N1)C2=CC3=C(C=CC4=C(C3=O)C=C(C=C4)CS(=O)(=O)NCC5=CC=CC=N5)N=C2","VMJFTOSOFDEKTM-UHFFFAOYSA-N",45142457,NA,"PDBC38223","761692","Present",NA,NA
+"38224","ML-7-HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ML-7-HCl",NA,NA,NA,NA,NA,NA,"PDBC38224",NA,"Absent",NA,NA
+"38225","ML148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ML148",NA,"CC1=CC(=CC=C1)N2C=NC3=C2C=CC(=C3)C(=O)N4CCCCC4","YQNOQZALLOQMPY-UHFFFAOYSA-N",3243760,NA,"PDBC38225","767062","Present",NA,NA
+"38226","MLN-0905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MLN-0905",NA,"CC1=C(C=C(C=N1)CCCN(C)C)NC2=NC=C3CC(=S)NC4=C(C3=N2)C=CC(=C4)C(F)(F)F","CODBZFJPKJDNDT-UHFFFAOYSA-N",46235922,NA,"PDBC38226","767470","Present",NA,NA
+"38227","MLN120B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MLN120B",NA,NA,NA,NA,NA,NA,9929127,NA,"PDBC38227",NA,"Absent",NA,NA
+"38228","MMP-9/MMP-13 Inhibitor I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MMP-9/MMP-13 Inhibitor l CalBioChem Cat. No. 444252",NA,"COC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2C(=O)NO)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4","KXZZWRQJKQVMKR-UHFFFAOYSA-N",9983251,NA,"PDBC38228","727680","Present",NA,NA
+"38229","MMRNHFGQOYNUCE-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MMRNHFGQOYNUCE-UHFFFAOYSA-N",NA,"CC1CN=C(S1)N(C)C(=O)NC2=CC(=C(C=C2)Cl)Cl","MMRNHFGQOYNUCE-UHFFFAOYSA-N",383612,NA,"PDBC38229","672030","Present",NA,NA
+"38230","MMUTYUKAZPZJBM-JXMROGBWSA-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MMUTYUKAZPZJBM-JXMROGBWSA-",NA,"CSC(=S)NN=CC1=CC=CC=C1","MMUTYUKAZPZJBM-JXMROGBWSA-N",6789504,NA,"PDBC38230","507478","Present",NA,NA
+"38231","MOGRRYAKLPVBAF-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MOGRRYAKLPVBAF-UHFFFAOYSA-N",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N(C)C","MOGRRYAKLPVBAF-UHFFFAOYSA-N",372768,NA,"PDBC38231","648388","Present",NA,NA
+"38232","MOU0F5C3SV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MOU0F5C3SV",NA,"C1=CC=C2C(=C1)C3=C(N2)N4C=CC=NC4=N3","NZCNBDIYEPILFR-UHFFFAOYSA-N",338889,NA,"PDBC38232","363437","Present",NA,NA
+"38233","MP 122-123 oC STOR DRI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MP 122-123 oC STOR DRI",NA,"C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=C(N=C3Cl)Cl","KTYYLJQCFXBJMC-UHFFFAOYSA-N",24205044,NA,"PDBC38233","734076","Present",NA,NA
+"38234","MP2Y265TQ7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MP2Y265TQ7",NA,"COC1=NC2=C(C=C1)NC3=NC4=CC=CC=C4N=C3S2","LQIKBHOZELDRRD-UHFFFAOYSA-N",339701,NA,"PDBC38234","367416","Present",NA,NA
+"38235","MPAVPPZRYGYOIC-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MPAVPPZRYGYOIC-UHFFFAOYSA-N",NA,"CC1=CC(=C(S1)SC)C2=NSC(=O)O2","MPAVPPZRYGYOIC-UHFFFAOYSA-N",392966,NA,"PDBC38235","694209","Present",NA,NA
+"38236","MPDGNQLGWZNXNN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MPDGNQLGWZNXNN-UHFFFAOYSA-N",NA,"CCOC(=O)C1C2CCCCC2C(=O)CC1=O","MPDGNQLGWZNXNN-UHFFFAOYSA-N",359294,NA,"PDBC38236","620038","Present",NA,NA
+"38237","MPVCARGCCXALMI-VWLOTQADSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MPVCARGCCXALMI-VWLOTQADSA-N",NA,"C1CC(N(C1)CC2=C3C=CC(=CC3=C4C=C5C(=CC4=C2)OCO5)OCC6=CC=CC=C6)C(=O)O","MPVCARGCCXALMI-VWLOTQADSA-N",24205344,NA,"PDBC38237","735208","Present",NA,NA
+"38238","MQDHGUHGLZWJBB-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MQDHGUHGLZWJBB-UHFFFAOYSA-N",NA,"CC1=CC(=O)NP(=O)(N1)OC2=CC=C(C=C2)Cl","MQDHGUHGLZWJBB-UHFFFAOYSA-N",373120,NA,"PDBC38238","649062","Present",NA,NA
+"38239","MRA-CN isomer a, a:b = 93:7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mra-cn isomer a, a:b = 93:7",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6C#N)O","YIMDLWDNDGKDTJ-UHFFFAOYSA-N",100184,NA,"PDBC38239","639650","Present",NA,NA
+"38240","MRDOFJMDNBZJEF-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MRDOFJMDNBZJEF-UHFFFAOYSA-N",NA,"CN(C)CCCN1C=NC2=C(C1=O)C=CC=N2","MRDOFJMDNBZJEF-UHFFFAOYSA-N",360822,NA,"PDBC38240","623239","Present",NA,NA
+"38241","MRTX-1257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MRTX-1257",NA,"CC1=C2C(=CC=C1)C=CC=C2N3CCC4=C(C3)N=C(N=C4N5CCN(C(C5)CC#N)C(=O)C=C)OCC6CCCN6C","YRYQLVCTQFBRLD-UIOOFZCWSA-N",134326084,NA,"PDBC38241","819558","Present",NA,NA
+"38242","MS-0005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MS-0005",NA,"C1=CC(=CC=C1CC(C(=O)O)NC(=O)CCl)F","OGLQHEOJWVIYAI-UHFFFAOYSA-N",321149,NA,"PDBC38242","270561","Present",NA,NA
+"38243","MS-11165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MS-11165",NA,"CCOC(=O)C1=C(N=C(S1)NC2=C(C=CC(=C2)Cl)Cl)C","FJHQIUZOOWHUMI-UHFFFAOYSA-N",365859,NA,"PDBC38243","633934","Present",NA,NA
+"38244","MS-1469",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MS-1469",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=S)S3","NGCBEAPNPMOYEM-RUDMXATFSA-N",1416279,NA,"PDBC38244","31059","Present",NA,NA
+"38245","MS-3607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MS-3607",NA,"CC1=CC2=C(C=C(C(=O)O2)C(=O)CC(=O)C)C(=O)O1","WPIHCINHLYKZDQ-UHFFFAOYSA-N",377796,NA,"PDBC38245","659409","Present",NA,NA
+"38246","MS-7612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MS-7612",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)OC","LITBNHAVTPKJAD-UHFFFAOYSA-N",3005349,NA,"PDBC38246","693340","Present",NA,NA
+"38247","MS-7848",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MS-7848",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]","JJVIWDDRURYYII-UHFFFAOYSA-N",3005348,NA,"PDBC38247","693339","Present",NA,NA
+"38248","MSA-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MSA-2",NA,"COC1=C(C=C2C(=C1)C=C(S2)C(=O)CCC(=O)O)OC","APCLRHPWFCQIMG-UHFFFAOYSA-N",23035251,NA,"PDBC38248","828583","Present",NA,NA
+"38249","MSC-2530818",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MSC-2530818",NA,"CC1=C2C=C(C=NC2=NN1)C(=O)N3CCCC3C4=CC=C(C=C4)Cl","ODRITQGYYWHQGM-INIZCTEOSA-N",118879529,NA,"PDBC38249","800890","Present",NA,NA
+"38250","MSC2360844",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MSC2360844",NA,"C1COCCN1CC2=CC=C(C=C2)N3C4=C(CS(=O)(=O)C5=C4C=CC=C5F)C(=N3)C(=O)N6CCOCC6","NFHSJYKXENYICE-UHFFFAOYSA-N",66580799,NA,"PDBC38250","827886","Present",NA,NA
+"38251","MSIUONOOULABIO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MSIUONOOULABIO-UHFFFAOYSA-N",NA,"C1CN=C(C2=CC3=C(C=C21)OCO3)C4=CC=CC=C4","MSIUONOOULABIO-UHFFFAOYSA-N",386847,NA,"PDBC38251","679581","Present",NA,NA
+"38252","MT5FY78YHR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MT5FY78YHR",NA,"C1CSC2=C(S1)C(=O)C3=CC=CC=C3C2=O","IVQJELKILULDFK-UHFFFAOYSA-N",244536,NA,"PDBC38252","55480","Present",NA,NA
+"38253","MTMSA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MTMSA",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","ZXQJLBCJKMFMOL-HGXNGHEYSA-N",155816807,NA,"PDBC38253","780453","Present",NA,NA
+"38254","MUHFRIOWLDIZBF-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MUHFRIOWLDIZBF-UHFFFAOYSA-N",NA,"CC1=[N+](C2=CC=CC=C2S1)CCC(=O)O.[I-]","MUHFRIOWLDIZBF-UHFFFAOYSA-N",5458361,NA,"PDBC38254","166363","Present",NA,NA
+"38255","MVIAFWFYXRNKDS-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MVIAFWFYXRNKDS-UHFFFAOYSA-N",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)COS(=O)(=O)C)OC)OC","MVIAFWFYXRNKDS-UHFFFAOYSA-N",393693,NA,"PDBC38255","696126","Present",NA,NA
+"38256","MWDYWHXATUVQTR-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MWDYWHXATUVQTR-UHFFFAOYSA-N",NA,"CCCN1C(=O)C(C(=O)NC1=O)(CC)N2C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F","MWDYWHXATUVQTR-UHFFFAOYSA-N",24765667,NA,"PDBC38256","748724","Present",NA,NA
+"38257","MWJGINGFPOXZFR-PKNBQFBNSA-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MWJGINGFPOXZFR-PKNBQFBNSA-",NA,"CCSC(=O)C=C1CN(C1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C","MWJGINGFPOXZFR-PKNBQFBNSA-N",5468313,NA,"PDBC38257","668366","Present",NA,NA
+"38258","MX2 hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MX2 HCl",NA,"CCC1(CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC5CC(C(C(O5)C)O)N6CCOCC6)O.Cl","ZDJRSUWWMAYYID-HATHGVPASA-N",5351347,NA,"PDBC38258","619003","Present",NA,NA
+"38259","MYQDQLNZLSSLJX-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MYQDQLNZLSSLJX-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C(C(=O)N2)C3=NC4=CC=CC=C4N3)C=C1","MYQDQLNZLSSLJX-UHFFFAOYSA-N",370919,NA,"PDBC38259","644720","Present",NA,NA
+"38260","Ma'iliohydrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ma'iliohydrin",NA,"CC1(C(C(CC(=C)C12CCC(C=C2)(CBr)O)O)Br)C","SGUDETSEOVUZCJ-MYIUUGPWSA-N",403768,NA,"PDBC38260","719212","Present",NA,NA
+"38261","Ma'ilione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mailione",NA,"CC1(C(C(CC(=C)C12CCC(=O)C=C2)O)Br)C","ZERRJERBGYWIKI-YRGRVCCFSA-N",396685,NA,"PDBC38261","703203","Present",NA,NA
+"38262","Macbecin I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Macbecin I",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C=C(C1OC)C2=O)C)C)OC(=O)N)C)C)OC)OC","PLTGBUPHJAKFMA-FOKZELFKSA-N",24199491,NA,"PDBC38262","330499","Present",NA,NA
+"38263","Macrocalyxoformin B (Rabdosia diterpenoids)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Macrocalyxoformin B (Rabdosia diterpenoids)",NA,"CC12CCC3C4(C1C(OC2)OC4)C5CCC6CC5(C(=O)C6=C)C(=O)O3","QRZAIOQXVJRCBS-WRUDONHLSA-N",367617,NA,"PDBC38263","637459","Present",NA,NA
+"38264","Macrocarpamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Macrocarpamine",NA,"CC=C1CN2CCC3C4=CC=CC=C4N5C3(C2CC1C5C(=O)OC)C=CC6=COCC7C6CC8C9=C(CC7N8C)C1=CC=CC=C1N9C","NOKYQXVIWFQLED-HXCLOJFDSA-N",5472477,NA,"PDBC38264","719264","Present",NA,NA
+"38265","Macrophilone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791021",NA,"CSC1=C(C(=O)C2=C(C1=N)C(=CN2)CO)N","LUJDHAGJNKEFEN-UHFFFAOYSA-N",137272841,NA,"PDBC38265","791021","Present",NA,NA
+"38266","Maculosidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"makulozidin",NA,"COC1=CC2=C(C(=C1)OC)N=C3C(=C2OC)C=CO3","SHAVHFJCSQWTFF-UHFFFAOYSA-N",68222,NA,"PDBC38266","83431","Present",NA,NA
+"38267","Magnamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbomycin",NA,"CC1CC(C(C(C(CC(=O)OC(CC2C(O2)C=CC1=O)C)OC(=O)C)OC)OC3C(C(C(C(O3)C)OC4CC(C(C(O4)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O","FQVHOULQCKDUCY-LMCPXSJKSA-N",5351548,NA,"PDBC38267","51001","Present",NA,NA
+"38268","Magnesium;2-chloroethyl carbamate;chloromethane;methyl 4-(ethoxycarbonylamino)benzenesulfonate;oxourea;dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Magnesium;2-chloroethyl carbamate;chloromethane;methyl 4-(ethoxycarbonylamino)benzenesulfonate;oxourea;dichloride",NA,NA,NA,NA,NA,"PDBC38268","627641","Present",NA,NA
+"38269","Magnesium;5-(hydroxymethyl)-4-[6-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]hexylazaniumylidenemethyl]-2-methylpyridin-3-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Magnesium;5-(hydroxymethyl)-4-[6-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]hexylazaniumylidenemethyl]-2-methylpyridin-3-olate",NA,"CC1=NC=C(C(=C1[O-])C=[NH+]CCCCCC[NH+]=CC2=C(C(=NC=C2CO)C)[O-])CO.[Mg+2]","ALSSMZWSFWFONR-UHFFFAOYSA-N",3817648,NA,"PDBC38269","369205","Present",NA,NA
+"38270","Magnesium;5-(hydroxymethyl)-4-[[2-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]-4,5-dimethylphenyl]azaniumylidenemethyl]-2-methylpyridin-3-olate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Magnesium;5-(hydroxymethyl)-4-[[2-[[5-(hydroxymethyl)-2-methyl-3-oxidopyridin-4-yl]methylideneazaniumyl]-4,5-dimethylphenyl]azaniumylidenemethyl]-2-methylpyridin-3-olate",NA,"CC1=CC(=C(C=C1C)[NH+]=CC2=C(C(=NC=C2CO)C)[O-])[NH+]=CC3=C(C(=NC=C3CO)C)[O-].[Mg+2]","DQWCGRAFQMGNJY-UHFFFAOYSA-N",3332004,NA,"PDBC38270","357594","Present",NA,NA
+"38271","Magnolignan H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Magnolignan H",NA,"C=CCC1=CC=C(C=C1)OC2=C(C3=C(C(C(O3)CO)C4=CC(=C(C=C4)O)C5=C(C=CC(=C5)CC=C)O)C(=C2)CC=C)O","YGUKSKZCBFPXIC-JHOUSYSJSA-N",373767,NA,"PDBC38271","650721","Present",NA,NA
+"38272","Magnolignan I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Magnolignan I",NA,"C=CCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)C3C(C4=CC(=CC(=C4O3)C5=C(C=CC(=C5)CC=C)O)O)CO)O","JLQQJIWDVGIGMI-MLAKCTNMSA-N",373768,NA,"PDBC38272","650722","Present",NA,NA
+"38273","Magon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Magon",NA,"CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=CC=C4O)C","JSSROCUNTZVPCI-UHFFFAOYSA-N",100814,NA,"PDBC38273","374898","Present",NA,NA
+"38274","Maiq I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"maiq i",NA,"CC1=CN=C(C2=C1C(=CC=C2)N)C=NNC(=S)N.Cl","UBNPKGRKOMHQDD-NKBLJONXSA-N",20843053,NA,"PDBC38274","246112","Present",NA,NA
+"38275","Majoranolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Majoranolide",NA,"CCCCCCCCCCCCCC=C1CC(COC1=O)O","KQDQXJXWFRWWFK-UMADGWCESA-N",5466806,NA,"PDBC38275","643442","Present",NA,NA
+"38276","Makomakina",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Makomakina",NA,"CC1(C2CCC(=C)C(C2)C(N1)C(=O)C3=CNC4=CC=CC=C43)C","DVXHKPIVRABJGD-RWKZGTHUSA-N",385190,NA,"PDBC38276","676305","Present",NA,NA
+"38277","Makomakine, 9-dehydro- 8-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Makomakine, 9-dehydro- 8-oxo-",NA,"CC1(C2CCC(=C)C(C2)C(=N1)C(=O)C3=CNC4=CC=CC=C43)C","JASABNKRQAFMNO-UHFFFAOYSA-N",369151,NA,"PDBC38277","640738","Present",NA,NA
+"38278","Makonina",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Makonina",NA,"CC1(C2CCC3(C(C2)C(=N1)C(=O)C4=C3NC5=CC=CC=C54)C)C","HPRJBYFFRMFXIN-MIJIDIFASA-N",385192,NA,"PDBC38278","676307","Present",NA,NA
+"38279","Malachite green oxalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Malachite green oxalate",NA,NA,NA,NA,NA,"PDBC38279","5550","Present",NA,NA
+"38280","Maleimide analog",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"maleimide analog",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)N3C(=O)C(=C(C3=O)SCCO)SCCO","RFZCIUONZTUZER-UHFFFAOYSA-N",11200445,NA,"PDBC38280","745735","Present",NA,NA
+"38281","Maleimide, N-(1-hydroxyacetonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maleimide, N-(1-hydroxyacetonyl)-",NA,"CC(=O)C(N1C(=O)C=CC1=O)O","INYVLMMCYHZEIB-UHFFFAOYSA-N",286651,NA,"PDBC38281","145168","Present",NA,NA
+"38282","Maleimycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MALEIMYCIN",NA,"C1CC2=C(C1O)C(=O)NC2=O","CTNINESNDXCWPR-UHFFFAOYSA-N",320354,NA,"PDBC38282","267588","Present",NA,NA
+"38283","Malformin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Malformin A",NA,"CCC(C)C1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)C(C)C)NC2=O","RNCGDQLZIATDOU-UHFFFAOYSA-N",4005,NA,"PDBC38283","324646","Present",NA,NA
+"38284","Malononitrile, (2,3-dimethoxybenzylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCK100788",NA,"COC1=CC=CC(=C1OC)C=C(C#N)C#N","QXIGVGQGZAURFQ-UHFFFAOYSA-N",37584,NA,"PDBC38284","659146","Present",NA,NA
+"38285","Malononitrile, (2-hydroxy-1-(naphthylmethylene))-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCK101562",NA,"C1=CC=C2C(=C1)C=CC(=C2C=C(C#N)C#N)O","UCDYXURSVIOOCB-UHFFFAOYSA-N",58850,NA,"PDBC38285","663984","Present",NA,NA
+"38286","Malononitrile, (beta-pentylcinnamylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Malononitrile, (.beta.-pentylcinnamylidene)-",NA,"CCCCCC(=CC1=CC=CC=C1)C=C(C#N)C#N","XQOBTXSDVOTDQI-WJDWOHSUSA-N",6271803,NA,"PDBC38286","15078","Present",NA,NA
+"38287","Malononitrile, (m-nitrocinnamylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Malononitrile, (m-nitrocinnamylidene)-",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=CC=C(C#N)C#N","SUUDBEARADVQJK-HNQUOIGGSA-N",5382806,NA,"PDBC38287","151950","Present",NA,NA
+"38288","Malononitrile,3-bis(phenylthio)-3-cyclohexen-1-yl]-, trans-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedinitrile,[2,3-bis(phenylthio)-3-cyclohexen-1-yl]...",NA,"C1CC(C(C(=C1)SC2=CC=CC=C2)SC3=CC=CC=C3)C(C#N)C#N","JLYRTIDIMWSLGV-FPOVZHCZSA-N",393918,NA,"PDBC38288","696891","Present",NA,NA
+"38289","Maltol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vetol",NA,"CC1=C(C(=O)C=CO1)O","XPCTZQVDEJYUGT-UHFFFAOYSA-N",8369,NA,"PDBC38289","2829","Present",NA,NA
+"38290","Malvidin 3,5-diglucoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Malvin",NA,"COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O.[Cl-]","RHKJIVJBQJXLBY-UHFFFAOYSA-N",5458954,NA,"PDBC38290","407312","Present",NA,NA
+"38291","Malyngamide S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Malyngamide S",NA,"CCCCCC(CC=CCCC(=O)NCC(=CCl)C1C(=O)C(C(=O)C(C1(C)O)C)(C)C)OC","YISCQTHSBLSJHQ-JLKVJSSTSA-N",643654,NA,"PDBC38291","721610","Present",NA,NA
+"38292","Mammea B/BA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isomammein",NA,"CCCC1=CC(=O)OC2=C1C(=C(C(=C2C(=O)CC(C)C)O)CC=C(C)C)O","LYJWLIYDNZREPC-UHFFFAOYSA-N",5489487,NA,"PDBC38292","781049","Present",NA,NA
+"38293","Mammeisin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mammeisin",NA,"CC(C)CC(=O)C1=C(C2=C(C(=C1O)CC=C(C)C)OC(=O)C=C2C3=CC=CC=C3)O","JIFOADIANOIMSK-UHFFFAOYSA-N",5281419,NA,"PDBC38293","781046","Present",NA,NA
+"38294","Mandelonitrile-beta-gentiobioside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC15780",NA,"C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O","XUCIJNAGGSZNQT-VEXRWARGSA-N",656495,NA,"PDBC38294","15780","Present",NA,NA
+"38295","Manganese (1+), chloro[[2-hydroxybenzoic acid(2,6- pyrid...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Manganese (1+), chloro[[2-hydroxybenzoic acid(2,6- pyrid...",NA,NA,NA,NA,NA,"PDBC38295","617566","Present",NA,NA
+"38296","Manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Manganese(3+);2-[2-[(2-oxidophenyl)methylideneamino]ethyliminomethyl]phenolate;acetate",NA,"CC(=O)[O-].C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2[O-])[O-].[Mn+3]","GOLNUTRBCDXKBP-UHFFFAOYSA-K",369985,NA,"PDBC38296","642507","Present",NA,NA
+"38297","Manganous [(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Manganous [(E)-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea",NA,NA,NA,NA,NA,"PDBC38297","613663","Present",NA,NA
+"38298","Manicol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Manicol",NA,"CC1=CC(=O)C(=C(C2=C1CC(CC2)C(=C)C)O)O","XZCVMNQLRNHDOD-SNVBAGLBSA-N",5351306,NA,"PDBC38298","310618","Present",NA,NA
+"38299","Maniladiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maniladiol",NA,"CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)O)C)C)C","VLRYIIPJIVGFIV-QQSFYHFXSA-N",397934,NA,"PDBC38299","707002","Present",NA,NA
+"38300","Mansonone F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mansonone F",NA,"CC1=C2C3=C(C=C1)C(=COC3=C(C(=O)C2=O)C)C","WSRLWSPFIOAYST-UHFFFAOYSA-N",94304,NA,"PDBC38300","113136","Present",NA,NA
+"38301","Manzamine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Manzamine A",NA,"C1CCN2CCC3C(=CC(CCC=CC1)(C4C3(C2)CC5N4CCCCC=C5)O)C6=NC=CC7=C6NC8=CC=CC=C78.Cl","DIVWQABXFSWTEF-VERRYWJFSA-N",5468479,NA,"PDBC38301","670851","Present",NA,NA
+"38302","Mappain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mappain",NA,"CC(=CCCC(=CCC1=C(C(=CC(=C1)C=CC2=CC(=C(C(=C2)O)CC=C(C)C)O)O)O)C)C","GJZKDVGLDGLPMB-ZVBRSKEYSA-N",5472227,NA,"PDBC38302","716997","Present",NA,NA
+"38303","Marasmic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LACHNELLA FUNGUS",NA,"CC1(CC2C=C(C34CC3(C2C1)C(=O)OC4O)C=O)C","BIUVCPLWWOLECJ-LIHVSQBMSA-N",330358,NA,"PDBC38303","318506","Present",NA,NA
+"38304","Marrubiin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"marrubin",NA,"CC1CC2C3C(CCCC3(C1(CCC4=COC=C4)O)C)(C(=O)O2)C","HQLLRHCTVDVUJB-OBHOOXMTSA-N",73401,NA,"PDBC38304","36693","Present",NA,NA
+"38305","Massoia lactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"massoia lactone",NA,"CCCCCC1CC=CC(=O)O1","NEDIAPMWNCQWNW-UHFFFAOYSA-N",39914,NA,"PDBC38305","720841","Present",NA,NA
+"38306","Matsutakeside I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Matsutakeside I",NA,"COC1=CC(=CC2=C1OC(=C2)C3=CC4=C(C=C3)OCO4)CCCOC5C(C(C(C(O5)COC6C(C(C(CO6)O)O)O)O)O)O","JKLGFSBPEZTFTQ-UHFFFAOYSA-N",353479,NA,"PDBC38306","601904","Present",NA,NA
+"38307","Mauve",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mauve",NA,"CC1=CC=C(C=C1)[N+]2=C3C=C(C(=CC3=NC4=C2C=C(C(=C4)C)N)C)NC5=CC=CC=C5","GZIROVCEVALULC-UHFFFAOYSA-O",407617,NA,"PDBC38307","7801","Present",NA,NA
+"38308","Mavelertinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-06747775",NA,"CN1C=C(C(=N1)OC)NC2=C3C(=NC(=N2)N4CC(C(C4)F)NC(=O)C=C)N(C=N3)C","JYIUNVOCEFIUIU-GHMZBOCLSA-N",91668194,NA,"PDBC38308","788365","Present",NA,NA
+"38309","Maxima isoflavone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maxima isoflavone A",NA,"C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC5=C4OCO5","HDEHMKSXXSBSHM-UHFFFAOYSA-N",343079,NA,"PDBC38309","382026","Present",NA,NA
+"38310","Maxima isoflavone C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maxima isoflavone C",NA,"CC(=CCOC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC4=C(C=C3OC)OCO4)C","HIMSTRVEHVBQCS-UHFFFAOYSA-N",343080,NA,"PDBC38310","382027","Present",NA,NA
+"38311","Maxima isoflavone D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maxima isoflavone D",NA,"COC1=C(C=C(C=C1)C2=COC3=C(C2=O)C=CC4=C3OCO4)OC","BURSEYYMJTXRQK-UHFFFAOYSA-N",343081,NA,"PDBC38311","382028","Present",NA,NA
+"38312","Maxima isoflavone G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maxima isoflavone G",NA,"COC1=CC2=C(C=C1C3=COC4=C(C3=O)C=CC(=C4)O)OCO2","BHIIMRBCELSOFD-UHFFFAOYSA-N",5385091,NA,"PDBC38312","382029","Present",NA,NA
+"38313","Maybridge1_000249",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_000249",NA,"C=C1C2(CCCCC2)N(C(=NC3=CC=CC=C3Cl)S1)C(=O)C4=C(C5=CC=CC=C5S4)Cl","CWFIQSRJYAZENI-UHFFFAOYSA-N",329165,NA,"PDBC38313","310326","Present",NA,NA
+"38314","Maybridge1_001525",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_001525",NA,"CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C","DFSHSSAUZJFPSK-UYRXBGFRSA-N",1070531,NA,"PDBC38314","691428","Present",NA,NA
+"38315","Maybridge1_002335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002335",NA,"CC1(CN=C(S1)NC2=CC=C(C=C2)Cl)C","YMJAZVKEBYDZED-UHFFFAOYSA-N",389114,NA,"PDBC38315","684799","Present",NA,NA
+"38316","Maybridge1_002377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002377",NA,"CC1CN=C(S1)NC2=CC(=C(C=C2)F)Cl","XKGMIEHXKWRLDW-UHFFFAOYSA-N",383599,NA,"PDBC38316","672017","Present",NA,NA
+"38317","Maybridge1_002379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002379",NA,"CC1(CN=C(S1)NC2=CC=C(C=C2)F)C","CUESOELOZGCFPS-UHFFFAOYSA-N",389116,NA,"PDBC38317","684801","Present",NA,NA
+"38318","Maybridge1_002421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002421",NA,"CC1CN=C(S1)NC2=CC=CC(=C2)C(F)(F)F","DCKNPUPMYYQONS-UHFFFAOYSA-N",383597,NA,"PDBC38318","672015","Present",NA,NA
+"38319","Maybridge1_002423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002423",NA,"CC1(CN=C(S1)NC2=CC=CC(=C2)C(F)(F)F)C","NICNMRAINRVNPL-UHFFFAOYSA-N",389117,NA,"PDBC38319","684802","Present",NA,NA
+"38320","Maybridge1_002539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002539",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O","XWXHRRJHPBWPLP-UHFFFAOYSA-N",366626,NA,"PDBC38320","635301","Present",NA,NA
+"38321","Maybridge1_002639",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002639",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)NC(=S)NC2=O","JYGYCTPQBYBIMS-UHFFFAOYSA-N",727446,NA,"PDBC38321","684573","Present",NA,NA
+"38322","Maybridge1_005538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_005538",NA,"C1CN(CCN1CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CCCN5C(=O)C6=CC=CC7=C6C(=CC=C7)C5=O","KQQYIVHXXRJYEA-UHFFFAOYSA-N",364088,NA,"PDBC38322","629729","Present",NA,NA
+"38323","Maybridge1_006049",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_006049",NA,"C1CN=C(SSC(=N1)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","GEEKFBAAYZAMAY-UHFFFAOYSA-N",328934,NA,"PDBC38323","309898","Present",NA,NA
+"38324","Maybridge1_006365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_006365",NA,"CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C","QMFBVGUFEGVPNG-UHFFFAOYSA-N",2737412,NA,"PDBC38324","643910","Present",NA,NA
+"38325","Maybridge1_007893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_007893",NA,"C1=CSC(=C1)C(=O)CC(C2=CSC=C2)C(=O)C3=CC=CS3","GWMWXYPTUCHUAT-UHFFFAOYSA-N",376718,NA,"PDBC38325","657764","Present",NA,NA
+"38326","Maybridge3_000518",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_000518",NA,"CC1(CN=C(S1)NC2=CC(=C(C=C2)F)Cl)C","IAYUATXCCKOIKM-UHFFFAOYSA-N",389115,NA,"PDBC38326","684800","Present",NA,NA
+"38327","Maybridge3_000858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_000858",NA,"CC1=CC2=C(C=C1)N3C=CC=C3C(N2)C4=CC=C(C=C4)C(=O)O","LYIUGKBSPWTUGL-UHFFFAOYSA-N",330505,NA,"PDBC38327","319440","Present",NA,NA
+"38328","Maybridge3_000976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_000976",NA,"CC1=CC(=CC=C1)NC2=C(C(=O)NC(S2)C3=CC(=C(C=C3)O)OC)C#N","QJPDWHBKLXQBSR-UHFFFAOYSA-N",330500,NA,"PDBC38328","319435","Present",NA,NA
+"38329","Maybridge3_002468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_002468",NA,"CCOC(=O)C1CCCC2=C1C(=C(S2)N)C#N","BHUBUJRJDMFTKE-UHFFFAOYSA-N",383365,NA,"PDBC38329","671479","Present",NA,NA
+"38330","Maybridge3_002512",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_002512",NA,"CCOC(=O)C1CCCC2=C1C(=C(S2)N)C(=O)OCC","FEIDYTOTIZOYOH-UHFFFAOYSA-N",383364,NA,"PDBC38330","671478","Present",NA,NA
+"38331","Maybridge3_002921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_002921",NA,"C1=CC=C(C=C1)C2=CC(=C(C(=O)N2)C#N)C3=CC=CO3","UWZPYKADXQTBEN-UHFFFAOYSA-N",368865,NA,"PDBC38331","640204","Present",NA,NA
+"38332","Maybridge3_003455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_003455",NA,"CC1=CC(=O)N2C(=N1)C=C(N2)C3=CC=C(C=C3)C(C)(C)C","RVNYCWOXUCOSMF-UHFFFAOYSA-N",339730,NA,"PDBC38332","367474","Present",NA,NA
+"38333","Maybridge3_004420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_004420",NA,"CC1=CC=CC=C1NC2CC(NC(C2)(C)C)(C)C","SNRYQVKFLGRBFH-UHFFFAOYSA-N",365207,NA,"PDBC38333","632535","Present",NA,NA
+"38334","Maybridge3_004599",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_004599",NA,"CC1=CC(=O)OC2=CC(=C(C=C12)Cl)OC(=O)N(C)C","JDSSHYLDLJBBRE-UHFFFAOYSA-N",330531,NA,"PDBC38334","319467","Present",NA,NA
+"38335","Maybridge3_005292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_005292",NA,"CC1CN=C(S1)NC2=C(C=C(C=C2)F)F","RKBGXRCEDPWMPG-UHFFFAOYSA-N",383602,NA,"PDBC38335","672020","Present",NA,NA
+"38336","Maybridge3_005684",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_005684",NA,"CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)O2","INMWPCXDYPLTBA-UHFFFAOYSA-N",385601,NA,"PDBC38336","676898","Present",NA,NA
+"38337","Maybridge3_005893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_005893",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)F)C2=O","MBHDCJLDOHEKIU-UHFFFAOYSA-N",369408,NA,"PDBC38337","641178","Present",NA,NA
+"38338","Maybridge3_007037",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_007037",NA,"C=CCSC1=NNC(=N1)C2=CC=CS2","RPRQETFEPUYFMP-UHFFFAOYSA-N",339578,NA,"PDBC38338","366807","Present",NA,NA
+"38339","Maybridge4_000689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_000689",NA,"COC1=CC=C(C=C1)CSC2=C(C(=O)NC3(S2)CCCCC3)C#N","SWHYBQCQUXPGBH-UHFFFAOYSA-N",330499,NA,"PDBC38339","319434","Present",NA,NA
+"38340","Maybridge4_001598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_001598",NA,"C1=CC=C(C=C1)N2C3=C(C(=O)NC=N3)SC2=S","HRMVDGHIMMJLMB-UHFFFAOYSA-N",135408962,NA,"PDBC38340","650579","Present",NA,NA
+"38341","Maybridge4_001612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_001612",NA,"C1=CC=C(C=C1)N2C3=C(C(=C(S3)C#N)OC(=O)C4=CC=CS4)C(=O)N(C2=S)C5=CC=CC=C5","QOVAEVHNKFJWQC-UHFFFAOYSA-N",383088,NA,"PDBC38341","671132","Present",NA,NA
+"38342","Maybridge4_001815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_001815",NA,"CC1=C2CCN(C2=C3C=C(C=CC3=N1)F)C4=CC=C(C=C4)Cl","FXTBQKMGRYHTIP-UHFFFAOYSA-N",380608,NA,"PDBC38342","666283","Present",NA,NA
+"38343","Maybridge4_001856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_001856",NA,"CNC1=C2C3=C(CCCC3)SC2=NC(=S)N1","IQZRPBALXJYHFN-UHFFFAOYSA-N",2816490,NA,"PDBC38343","679230","Present",NA,NA
+"38344","Maybridge4_001900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_001900",NA,"CC1=C2CCSC2=C3C=C(C=C(C3=N1)OC)OC","ABSJLYWRPOXZIY-UHFFFAOYSA-N",379745,NA,"PDBC38344","664717","Present",NA,NA
+"38345","Maybridge4_002033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_002033",NA,"CCOC(=O)C1=C(C2=C(S1)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)O","LNWRUKZWSFVFSX-UHFFFAOYSA-N",376041,NA,"PDBC38345","656440","Present",NA,NA
+"38346","Maybridge4_002054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_002054",NA,"CC(C(=O)O)OC1=CC2=C(C=C1)C(=CC(=O)O2)C3=CC=CC=C3","RJPJBRVAOGKWOD-UHFFFAOYSA-N",363669,NA,"PDBC38346","628742","Present",NA,NA
+"38347","Maybridge4_002080",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_002080",NA,"COC1=CC=C(C=C1)C2=NN3C(=O)C4=C(N=C3SC2)SC5=C4CCCC5","LVMZFUMHOBBXHC-UHFFFAOYSA-N",384936,NA,"PDBC38347","675758","Present",NA,NA
+"38348","Maybridge4_003194",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_003194",NA,"CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)O","CWHFQHOJPCJDAM-UHFFFAOYSA-N",383577,NA,"PDBC38348","671995","Present",NA,NA
+"38349","Maybridge4_004375",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge4_004375",NA,"C1=CC(=CC=C1CSC2=NNC(=N2)C(F)(F)F)Cl","FDZCLGROJMHINZ-UHFFFAOYSA-N",339583,NA,"PDBC38349","366812","Present",NA,NA
+"38350","Mayfoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mayfoline",NA,"C1CCN(CCCNC(=O)CC(NC1)C2=CC=CC=C2)O","QGMXLNCOBCGXMO-HNNXBMFYSA-N",340416,NA,"PDBC38350","370988","Present",NA,NA
+"38351","Maytansin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MAYTANSINE",NA,"CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)C)C)C)OC)(NC(=O)O2)O","WKPWGQKGSOKKOO-WLNOZUDTSA-N",54604312,NA,"PDBC38351","153858","Present",NA,NA
+"38352","Mazethramycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mazethramycin B",NA,"CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)OC)C=CC(=O)NC)O","DBZISAXLVWRHPS-FNORWQNLSA-N",5897379,NA,"PDBC38352","326670","Present",NA,NA
+"38353","Mdl 19152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mdl 19152",NA,"CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CC2=CC=CC=C2","YLMGINPOMBXUKT-BQYQJAHWSA-N",6105995,NA,"PDBC38353","239749","Present",NA,NA
+"38354","MeTHHF disodium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Emofolin Sodium",NA,"CN1C(CNC2=C1C(=O)NC(=N2)N)CCNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","KCPBTDJBDDCNQE-UHFFFAOYSA-N",135488934,NA,"PDBC38354","139490","Present",NA,NA
+"38355","Mebetide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634166",NA,"CC1=NS(=O)(=O)C2=CC=CC=C2N1","FDWRKMPNEIXNOE-UHFFFAOYSA-N",67760,NA,"PDBC38355","634166","Present",NA,NA
+"38356","Meclocycline sulfosalicylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meclocycline sulfosalicylate (usan)",NA,"CN(C)C1C2C(C3C(=C)C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O","WVJKUGVVYXCLFV-CCHMMTNSSA-N",54676538,NA,"PDBC38356","757831","Present",NA,NA
+"38357","Meclodium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Meclofenamate",NA,"CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl","SBDNJUWAMKYJOX-UHFFFAOYSA-M",4036,NA,"PDBC38357","755402","Present",NA,NA
+"38358","Meclofenoxate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acefen",NA,"CN(C)CCOC(=O)COC1=CC=C(C=C1)Cl.Cl","FIVHOHCAXWQPGC-UHFFFAOYSA-N",19379,NA,"PDBC38358","113619","Present",NA,NA
+"38359","Medicagenic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Medicagenic acid",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)O)O)O)C)C)C2C1)C)C(=O)O)C","IDGXIXSKISLYAC-WNTKNEGGSA-N",65048,NA,"PDBC38359","382024","Present",NA,NA
+"38360","Medicarpin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"medicarpin",NA,"COC1=CC2=C(C=C1)C3COC4=C(C3O2)C=CC(=C4)O","NSRJSISNDPOJOP-BBRMVZONSA-N",336327,NA,"PDBC38360","350085","Present",NA,NA
+"38361","Mefloquine Hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mefloquine Hydrochloride",NA,"C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl","WESWYMRNZNDGBX-SBKWZQTDSA-N",18660697,NA,"PDBC38361","157387","Present",NA,NA
+"38362","Megaphone acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Megaphone acetate",NA,"CC(C(C1=CC(=C(C(=C1)OC)OC)OC)OC(=O)C)C2(CC(CCC2=O)OC)CC=C","CNQSJNINBFUEMD-YTMXOLSWSA-N",370911,NA,"PDBC38362","644649","Present",NA,NA
+"38363","Megathyrin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Megathyrin A",NA,"CC1(CCC(C23C1CC(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)C","VPZCKRKZFRCZMX-FINWQXJNSA-N",6712362,NA,"PDBC38363","676432","Present",NA,NA
+"38364","Megazol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitroimidazole thiadiazole",NA,"CN1C(=CN=C1C2=NN=C(S2)N)[N+](=O)[O-]","VDZZTXBMKRQEPO-UHFFFAOYSA-N",29698,NA,"PDBC38364","265726","Present",NA,NA
+"38365","Megestrol acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Megestrol acetate",NA,"CC1=CC2C(CCC3(C2CCC3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C","RQZAXGRLVPAYTJ-GQFGMJRRSA-N",11683,NA,"PDBC38365","71423","Present",NA,NA
+"38366","Melampodin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melampodin",NA,"CC1C(O1)(C)C(=O)OC2C3C(C=C(C4C(O4)C=C(C2O)C(=O)OC)C)OC(=O)C3=C","ZFFQDPLDTMMAKO-JMFBPXTISA-N",54612270,NA,"PDBC38366","155619","Present",NA,NA
+"38367","Melampodin B acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melampodin B acetate",NA,"CC(=O)OCC1=CC2C(C3C=C(C(CC1)OC(=O)C)C(=O)O3)C(=C)C(=O)O2","OGRMZEFFIFTCNB-SDQBBNPISA-N",5359212,NA,"PDBC38367","302035","Present",NA,NA
+"38368","Melampodinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melampodinin",NA,"CC1=CC2C(C(C(C(=CC3C1O3)C(=O)OC)OC(=O)C)OC(=O)C(C)(C(C)OC(=O)C)O)C(=C)C(=O)O2","MMVDOOAKJHDAMB-BPNXTJCCSA-N",5359028,NA,"PDBC38368","294600","Present",NA,NA
+"38369","Melegestrol acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"melengestrol acetate (usan)",NA,"CC1=CC2C(CCC3(C2CC(=C)C3(C(=O)C)OC(=O)C)C)C4(C1=CC(=O)CC4)C","UDKABVSQKJNZBH-PQQMIVRBSA-N",45006159,NA,"PDBC38369","759233","Present",NA,NA
+"38370","Melibentin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melibentin",NA,"COC1=C(C(=C(C2=C1C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC)OC","CRSVEURWRGBEIE-UHFFFAOYSA-N",386323,NA,"PDBC38370","678099","Present",NA,NA
+"38371","Melicopicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melicopicine",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C(=C(C(=C3OC)OC)OC)OC","URPVDDXMEZAEJY-UHFFFAOYSA-N",101253,NA,"PDBC38371","402921","Present",NA,NA
+"38372","Melicopidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melicopidine",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C(=C4C(=C3OC)OCO4)OC","TZZNUDMEMFBPQI-UHFFFAOYSA-N",68060,NA,"PDBC38372","34757","Present",NA,NA
+"38373","Melicopine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melicopine",NA,"CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C(=C3OC)OC)OCO4","PEWWLIQAXYMMAN-UHFFFAOYSA-N",68433,NA,"PDBC38373","34758","Present",NA,NA
+"38374","Melisimplexin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melisimplexin",NA,"COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)OC)OC","ATKXYPOHHYVHEQ-UHFFFAOYSA-N",386322,NA,"PDBC38374","678098","Present",NA,NA
+"38375","Melisimplin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melisimplin",NA,"COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC4=C(C=C3)OCO4)O)OC","QRTSJZTUEHLBPF-UHFFFAOYSA-N",5466136,NA,"PDBC38375","678097","Present",NA,NA
+"38376","Meliternatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Meliternatin",NA,"COC1=C2C(=CC3=C1OCO3)OC(=C(C2=O)OC)C4=CC5=C(C=C4)OCO5","FMZYQDFWORSVBZ-UHFFFAOYSA-N",386320,NA,"PDBC38376","678096","Present",NA,NA
+"38377","Meliternin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Meliternix",NA,"COC1=CC(=C(C2=C1C(=O)C(=C(O2)C3=CC4=C(C=C3)OCO4)OC)OC)OC","OHFDXRKYUVNEDD-UHFFFAOYSA-N",386319,NA,"PDBC38377","678095","Present",NA,NA
+"38378","Melitracen hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thymeol hydrochloride",NA,"CC1(C2=CC=CC=C2C(=CCCN(C)C)C3=CC=CC=C31)C.Cl","RADLXCPDUXFGFF-UHFFFAOYSA-N",25381,NA,"PDBC38378","78229","Present",NA,NA
+"38379","Menisperine iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"menisperine iodide",NA,"C[N+]1(CCC2=CC(=C(C3=C2C1CC4=C3C(=C(C=C4)OC)O)OC)OC)C.[I-]","HPIWMGFECDATDK-UQKRIMTDSA-N",24189461,NA,"PDBC38379","90558","Present",NA,NA
+"38380","Menoctone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Menoctone",NA,"C1CCC(CC1)CCCCCCCCC2=C(C3=CC=CC=C3C(=O)C2=O)O","JJMFNXJCDGGBEV-UHFFFAOYSA-N",26738,NA,"PDBC38380","103336","Present",NA,NA
+"38381","Mensacarcin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mensacarcin",NA,"CC1C(C23C(=O)C4=C(C(C2(O3)C(C1(C(=O)C5C(O5)C)O)O)OC)C(=CC=C4)OC)O","WWNXYRCJJRRWAQ-ALCXHWRFSA-N",403671,NA,"PDBC38381","718798","Present",NA,NA
+"38382","Menthyl acetoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Menthyl acetoacetate",NA,"CC1CCC(C(C1)OC(=O)CC(=O)C)C(C)C","QSVQIPXQOCAWHP-UHFFFAOYSA-N",102565,NA,"PDBC38382","620051","Present",NA,NA
+"38383","Mepacrine mustard dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quinacrine mustard",NA,"CC(CCCN(CCCl)CCCl)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl","GBQNIQYUTXKVHN-UHFFFAOYSA-N",24180972,NA,"PDBC38383","3424","Present",NA,NA
+"38384","Mequitazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"virginan",NA,"C1CN2CCC1C(C2)CN3C4=CC=CC=C4SC5=CC=CC=C53","HOKDBMAJZXIPGC-UHFFFAOYSA-N",4066,NA,"PDBC38384","303612","Present",NA,NA
+"38385","Mercaptoorotic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercaptoorotic acid",NA,"C1=C(NC(=S)NC1=O)C(=O)O","ISOQUWRYYNKKGX-UHFFFAOYSA-N",2724199,NA,"PDBC38385","39961","Present",NA,NA
+"38386","Mercaptopurine disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purine, 6,6'-dithiobis- (9CI)",NA,"C1=NC2=C(N1)C(=NC=N2)SSC3=NC=NC4=C3NC=N4","ULNKLXSTZWVSJH-UHFFFAOYSA-N",471826,NA,"PDBC38386","77640","Present",NA,NA
+"38387","Mercuric chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercuric Chloride",NA,"Cl[Hg]Cl","LWJROJCJINYWOX-UHFFFAOYSA-L",24085,NA,"PDBC38387","353255","Present",NA,NA
+"38388","Mercury, (2-amino-1,9-dihydro-6H-purine-6-thionato-N(7),...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercury, (2-amino-1,9-dihydro-6H-purine-6-thionato-N(7),...",NA,NA,NA,NA,NA,"PDBC38388","268879","Present",NA,NA
+"38389","Mercury, (2-hydroxy-5-nitrophenyl)(6-thioguanosinato-N(7...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercury, (2-hydroxy-5-nitrophenyl)(6-thioguanosinato-N(7...",NA,NA,NA,NA,NA,"PDBC38389","321239","Present",NA,NA
+"38390","Mercury, (4-aminophenyl)(6-thioguanosinato-N7,S6)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercury, (4-aminophenyl)(6-thioguanosinato-N7,S6)-",NA,NA,NA,NA,NA,"PDBC38390","321237","Present",NA,NA
+"38391","Mercury, (acetyloxy)(pentamethylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercury, (acetyloxy)(pentamethylphenyl)-",NA,"CC1=C(C(=C(C(=C1C)C)[Hg]OC(=O)C)C)C","FOIVYARZYWJXBS-UHFFFAOYSA-M",16683786,NA,"PDBC38391","174176","Present",NA,NA
+"38392","Mercury, (p-carboxyphenyl)(purin-6-ylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, p-[(purin-6-ylthio)mercuri]-",NA,"C1=CC(=CC=C1C(=O)O)[Hg]SC2=NC=NC3=C2NC=N3","ABJPEFQUUBDHMZ-UHFFFAOYSA-M",3246339,NA,"PDBC38392","92585","Present",NA,NA
+"38393","Mercury, bis(phenylethynyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mercuric phenylacetylide",NA,"C1=CC=C(C=C1)C#C[Hg]C#CC2=CC=CC=C2","ZIOZGJASRISMBV-UHFFFAOYSA-N",426869,NA,"PDBC38393","203047","Present",NA,NA
+"38394","Mercury, chloro(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-anisylchloromercury",NA,"COC1=CC=C(C=C1)[Hg]Cl","ODCJBHXFAFFNEW-UHFFFAOYSA-M",408835,NA,"PDBC38394","16239","Present",NA,NA
+"38395","Mercury, chloro-2-naphthalenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercury, chloro-2-naphthalenyl-",NA,"C1=CC=C2C=C(C=CC2=C1)[Hg]Cl","JEWKITRCRXNBDK-UHFFFAOYSA-M",425433,NA,"PDBC38395","174163","Present",NA,NA
+"38396","Mercury, chloro[[4-(1,1-dimethylethyl)-1- nitrocyclohexy...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercury, chloro[[4-(1,1-dimethylethyl)-1- nitrocyclohexy...",NA,NA,NA,NA,NA,"PDBC38396","623654","Present",NA,NA
+"38397","Mercury,5-diyldimethylene)bis[(octanoyloxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercury, (p-dioxane-2,5-diyldimethylene)bis[(octanoyloxy)-",NA,"CCCCCCCC(=O)O[Hg]CC1COC(CO1)C[Hg]OC(=O)CCCCCCC","XCIGTABUQFDIRT-UHFFFAOYSA-L",16683657,NA,"PDBC38397","38186","Present",NA,NA
+"38398","Mercury;naphthalene-1,8-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercury;naphthalene-1,8-dicarboxylic acid",NA,"C1=CC2=C(C(=C1)C(=O)O)C(=CC=C2)C(=O)O.[Hg]","SHGOQYAHXCRJOQ-UHFFFAOYSA-N",24202090,NA,"PDBC38398","625635","Present",NA,NA
+"38399","Meridianin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Meridianin D",NA,"C1=CC2=C(C=C1Br)NC=C2C3=NC(=NC=C3)N","VBPYLWZBNRFLEM-UHFFFAOYSA-N",401171,NA,"PDBC38399","714369","Present",NA,NA
+"38400","Meso-(1R,2S,4Z,6E,8S,9R,11Z,13E,15E,17E)-16,18-bis[(furan-2-ylmethyl)amino]-3,5,10,12,15,17-hexaaza-7,14-diazoniapentacyclo[7.5.2.22,8.02,6.09,13]octadeca-4,6,11,13,15,17-hexaene dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meso-(1R,2S,4Z,6E,8S,9R,11Z,13E,15E,17E)-16,18-bis[(fura...",NA,"C1=COC(=C1)CNC2=NC3C45C(=NC(C26C(=N3)NC=N6)N=C4NCC7=CC=CO7)NC=N5.Cl","LUOUSHSUKGKEOC-WPVSFAKOSA-N",60148126,NA,"PDBC38400","753667","Present",NA,NA
+"38401","Meso-2, di hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meso-2,6-diaminopimely-(D)-methyl ester-(L)-L-alanyl-D-i...",NA,"CC(C(=O)NC(CCC(=O)NCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)C(CCCC(C(=O)OC)N)N.Cl","BWTDSUFSCTWJNP-UHFFFAOYSA-N",54608851,NA,"PDBC38401","700253","Present",NA,NA
+"38402","Meso-2, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meso-2,6-diaminopimelyl-(D)-methyl ester-(L)-L-alanyl-D-...",NA,"CC(C(=O)NC(CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(CCCC(C(=O)OC)N)N.Cl","NUNQAGHQPPZIPL-UHFFFAOYSA-N",54608848,NA,"PDBC38402","700252","Present",NA,NA
+"38403","Meso-2,3-Diphenylsuccinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meso-2,3-Diphenylsuccinic acid",NA,"C1=CC=C(C=C1)C(C(C2=CC=CC=C2)C(=O)O)C(=O)O","PVXCQHHWNDJIJP-OKILXGFUSA-N",253131,NA,"PDBC38403","75627","Present",NA,NA
+"38404","Meso-Tetra(p-sulfophenyl)porphine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meso-Tetra(p-sulfophenyl)porphine",NA,"C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=C(C=C9)S(=O)(=O)O)N3)S(=O)(=O)O.N","QEKRJYZSQDBWPY-UHFFFAOYSA-N",135539580,NA,"PDBC38404","177391","Present",NA,NA
+"38405","Metachrome Brown V",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"monochrome brown v",NA,"C1=CC2=C(C=CC(=C2N=NC3=C(C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])O)O)C=C1S(=O)(=O)O.[Na+]","IUVHWURCSWEAEG-UHFFFAOYSA-N",135422232,NA,"PDBC38405","65820","Present",NA,NA
+"38406","Metalcaptase",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Penicillamine",NA,"[HH].CC(C)(C(C(=O)O)N)S","AJDBSPPPPGEPBV-UHFFFAOYSA-N",54605730,NA,"PDBC38406","81549","Present",NA,NA
+"38407","Metarrestin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1r,4r)-4-(7-benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H-...",NA,"C1CC(CCC1N2C=NC3=C(C2=N)C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)O","WSMXAUJFLWRPNT-UHFFFAOYSA-N",50985821,NA,"PDBC38407","766813","Present",NA,NA
+"38408","Metazocine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Metazocine",NA,"CC1C2CC3=C(C1(CCN2C)C)C=C(C=C3)O","YGSVZRIZCHZUHB-UHFFFAOYSA-N",62518,NA,"PDBC38408","611380","Present",NA,NA
+"38409","Methacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methacrone",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)COC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O","ZVPFERAGNIFAPW-UHFFFAOYSA-N",364461,NA,"PDBC38409","630722","Present",NA,NA
+"38410","Methallenestrilphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC78296",NA,"CCC(C1=CC2=C(C=C1)C=C(C=C2)O)C(C)(C)C(=O)O","OKLBSPJQRWHBMY-UHFFFAOYSA-N",254232,NA,"PDBC38410","78296","Present",NA,NA
+"38411","Methanaminium,3-cyclohexanediyl)bis(methyl)bis [N,N,N-trimethyl-, diiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanaminium, (2-oxo-1,3-cyclohexanediyl)bis(methyl)bis...",NA,"C[N+](C)(C)CC1CCCC(C1=O)C[N+](C)(C)C.[I-]","GCQIAPMWRHRIFN-UHFFFAOYSA-M",360569,NA,"PDBC38411","622700","Present",NA,NA
+"38412","Methanaminium,5-cyclohexadien-1-ylidene]-N-methyl-, 1,2-benzenedicarboxylate (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanaminium, N-[bis[4-(dimethylamino)phenyl]methylene]...",NA,"CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.C1=CC=C(C(=C1)C(=O)O)C(=O)[O-]","GWPCKEZKGMFTSM-UHFFFAOYSA-M",14122810,NA,"PDBC38412","271967","Present",NA,NA
+"38413","Methanediamine, 1-(2,6-difluorophenyl)-N,N'-bis(1,3,4-thiadiazol-2-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanediamine, 1-(2,6-difluorophenyl)- N,N'-bis(1,3,4-t...",NA,"C1=CC(=C(C(=C1)F)C(NC2=NN=CS2)NC3=NN=CS3)F","XIIOFDXBJQNSKF-UHFFFAOYSA-N",356527,NA,"PDBC38413","612799","Present",NA,NA
+"38414","Methanediamine, N,N'-di-2-naphthalenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Di(2-naphthyl)methanediamine",NA,"C1=CC=C2C=C(C=CC2=C1)NCNC3=CC4=CC=CC=C4C=C3","WVCPMBHZPSBORV-UHFFFAOYSA-N",245746,NA,"PDBC38414","57975","Present",NA,NA
+"38415","Methanesulfinic acid, hydroxy-, monosodium salt, reactio...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfinic acid, hydroxy-, monosodium salt, reactio...",NA,NA,NA,NA,NA,"PDBC38415","168411","Present",NA,NA
+"38416","Methanesulfon-m-anisidide, monomethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfon-m-anisidide, 4'-[(3-chloro-5-methoxy-9-acr...",NA,"COC1=CC=CC2=C1N=C3C=C(C=CC3=C2NC4=C(C=C(C=C4)NS(=O)(=O)C)OC)Cl.CS(=O)(=O)O","ZMEYIYCLMKYQNO-UHFFFAOYSA-N",290525,NA,"PDBC38416","154318","Present",NA,NA
+"38417","Methanesulfonamide, N-(3-methoxy-4-((4-methyl-9-acridinyl)amino)phenyl)-, monomethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonamide, N-[3-methoxy-4-[(4-methyl-9-acridiny...",NA,"CC1=CC=CC2=C(C3=CC=CC=C3N=C12)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.CS(=O)(=O)O","HVOJSINFDBMIRX-UHFFFAOYSA-N",148552,NA,"PDBC38417","150440","Present",NA,NA
+"38418","Methanesulfonamide, N-(4-(9-acridinylamino)phenyl)-, monomethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonamide, N-[4-(9-acridinylamino)phenyl]-, met...",NA,"CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.CS(=O)(=O)O","RXTLRPVFJCADPD-UHFFFAOYSA-N",148869,NA,"PDBC38418","156305","Present",NA,NA
+"38419","Methanesulfonamide, N-9,10-ethanoanthracen-9(10H)-yl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonamide, N-9,10-ethanoanthracen-9(10H)-yl-",NA,"CS(=O)(=O)NC12CCC(C3=CC=CC=C31)C4=CC=CC=C24","OSPPIXPHZXBMRK-UHFFFAOYSA-N",384296,NA,"PDBC38419","673913","Present",NA,NA
+"38420","Methanesulfonamide, N-[3-methoxy-4-[(5-methyl-3-nitro-9-acridinyl)amino]phenyl]-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonamide, N-[3-methoxy-4-[(5-methyl-3-nitro-9-...",NA,"CC1=C2C(=CC=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.Cl","KHPAANXZKKTBNE-UHFFFAOYSA-N",12323851,NA,"PDBC38420","139484","Present",NA,NA
+"38421","Methanesulfonamide, N-[3-methyl-7-(phenylmethoxy)-1-(phenylsulfonyl)-1H-indol-5-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonamide, N-[3-methyl-7-(phenylmethoxy)-1-(phe...",NA,"CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)NS(=O)(=O)C)S(=O)(=O)C4=CC=CC=C4","QCTIOGQIHRSREV-UHFFFAOYSA-N",396976,NA,"PDBC38421","704213","Present",NA,NA
+"38422","Methanesulfonate;2,3,8,9-tetramethoxy-5-methyl-12-[8-(2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium-12-yl)oxyoctoxy]benzo[c]phenanthridin-5-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonate;2,3,8,9-tetramethoxy-5-methyl-12-[8-(2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium-12-yl)oxyoctoxy]benzo[c]phenanthridin-5-ium",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OCCCCCCCCOC5=CC6=C(C7=CC(=C(C=C75)OC)OC)[N+](=CC8=CC(=C(C=C86)OC)OC)C)OC)OC)OC)OC.CS(=O)(=O)[O-]","IZUJAGHJSLSQAE-UHFFFAOYSA-M",24202359,NA,"PDBC38422","642899","Present",NA,NA
+"38423","Methanesulfonate;2,3,8-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645306",NA,"C[N+]1=C2C(=C3C=CC(=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.CS(=O)(=O)[O-]","XIBWFAFEMMNMAL-UHFFFAOYSA-M",9932376,NA,"PDBC38423","645306","Present",NA,NA
+"38424","Methanesulfonate;2,3,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645305",NA,"C[N+]1=C2C(=C3C=C(C=CC3=C1)OC)C=CC4=CC(=C(C=C42)OC)OC.CS(=O)(=O)[O-]","GFHPECGSXLCTTA-UHFFFAOYSA-M",24202371,NA,"PDBC38424","645305","Present",NA,NA
+"38425","Methanesulfonate;3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonate;3,8,9-trimethoxy-5-methyl-2,12-bis(phenylmethoxy)benzo[c]phenanthridin-5-ium",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC)OC)OC.CS(=O)(=O)[O-]","XDTSICZBTKKSSD-UHFFFAOYSA-M",24200166,NA,"PDBC38425","361589","Present",NA,NA
+"38426","Methanesulfonic acid 2-(9-hydroxy-10-oxo-10H-indeno[1,2-b]indol-5-yl)-ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonic acid 2-(9-hydroxy-10-oxo-10H-indeno[1,2-...",NA,"CS(=O)(=O)OCCN1C2=C(C(=CC=C2)O)C3=C1C4=CC=CC=C4C3=O","HMLRAGVHYHHWRG-UHFFFAOYSA-N",24205926,NA,"PDBC38426","737302","Present",NA,NA
+"38427","Methanesulfonic acid--4,4'-[propane-1,3-diyldi(piperidine-4,1-diyl)]bis(7-nitroquinazoline) (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonic acid;7-nitro-4-[4-[3-[1-(7-nitroquinazolin-4-yl)piperidin-4-yl]propyl]piperidin-1-yl]quinazoline",NA,"CS(=O)(=O)O.C1CN(CCC1CCCC2CCN(CC2)C3=NC=NC4=C3C=CC(=C4)[N+](=O)[O-])C5=NC=NC6=C5C=CC(=C6)[N+](=O)[O-]","SHMMKJAVVNZRMD-UHFFFAOYSA-N",54611099,NA,"PDBC38427","343226","Present",NA,NA
+"38428","Methanesulfonic acid; 1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonic acid; 1-nitro-N-[3-(4-oxidomorpholin-4-ium-4-yl)propyl]acridin-9-amine",NA,"CS(=O)(=O)O.C1COCC[N+]1(CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])[O-]","IRKSSGDJSSMPGG-UHFFFAOYSA-N",380950,NA,"PDBC38428","666735","Present",NA,NA
+"38429","Methanesulfonic acid;1-(1-thiophen-2-ylcyclohexyl)piperidin-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonic acid; 1-[1-(2-thienyl)cyclohexyl]piperidin-3-ol",NA,"CS(=O)(=O)O.C1CCC(CC1)(C2=CC=CS2)N3CCCC(C3)O","RZIJXFKBZGYBSK-UHFFFAOYSA-N",398084,NA,"PDBC38429","707449","Present",NA,NA
+"38430","Methanesulfonic acid;10-[3-[2-[3-[(8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propylamino]ethylamino]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one, 5,5'-[(1,2-et...",NA,"CS(=O)(=O)O.C1=CC=C2C(=C1)C(=O)C3=C(C=CC4=C3N2N=N4)NCCCNCCNCCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O","LEVSXYILYJUZNR-UHFFFAOYSA-N",439006,NA,"PDBC38430","695943","Present",NA,NA
+"38431","Methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-hep",NA,"CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C7=C(C=C5)N=NN7C8=CC=CC=C8C6=O.CS(=O)(=O)O","QJQKKTJBCRMOIH-UHFFFAOYSA-N",438992,NA,"PDBC38431","695936","Present",NA,NA
+"38432","Methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonic acid;10-[3-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl-methylamino]propylamino]-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen",NA,"CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC5=C6C7=C(C=C5)N=CN7C8=CC=CC=C8C6=O.CS(=O)(=O)O","ABLJTBAUBGBFQE-UHFFFAOYSA-N",438996,NA,"PDBC38432","695938","Present",NA,NA
+"38433","Methanesulfonic acid;2-[3-(1-piperidin-1-ylcyclohexyl)phenoxy]ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonic acid; 2-[3-[1-(1-piperidyl)cyclohexyl]phenoxy]ethanamine",NA,"CS(=O)(=O)O.C1CCC(CC1)(C2=CC(=CC=C2)OCCN)N3CCCCC3","QFWWOKXUWCCHPG-UHFFFAOYSA-N",398428,NA,"PDBC38433","708130","Present",NA,NA
+"38434","Methanesulfonic acid;2-[3-[methyl-[3-[(8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]amino]propyl]-5-nitrobenzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Imidazo[4,5,1-de]acridin-6-one, 5-[3-[[3-[[5-nitro-1,...",NA,"CN(CCCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O)CCCN5C(=O)C6=CC=CC7=CC(=CC(=C76)C5=O)[N+](=O)[O-].CS(=O)(=O)O","BHVKGSOVWRENOA-UHFFFAOYSA-N",439002,NA,"PDBC38434","695941","Present",NA,NA
+"38435","Methanesulfonic acid;5-nitro-2-[3-[4-[3-[(8-oxo-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2,4,6,9,11,13(16),14-heptaen-10-yl)amino]propyl]piperazin-1-yl]propyl]benzo[de]isoquinoline-1,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-Imidazo[4,5,1-de]acridin-6-one, 5-[3-[4-[3-[5-nitro-1...",NA,"CS(=O)(=O)O.C1CN(CCN1CCCNC2=C3C4=C(C=C2)N=CN4C5=CC=CC=C5C3=O)CCCN6C(=O)C7=CC=CC8=CC(=CC(=C87)C6=O)[N+](=O)[O-]","DLZIRRZYBMEZNG-UHFFFAOYSA-N",439004,NA,"PDBC38435","695942","Present",NA,NA
+"38436","Methanol;2-pyridin-2-ylpyridine;rhodium(2+);tetraacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654727",NA,"CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CO.CO.CO.C1=CC=NC(=C1)C2=CC=CC=N2.[Rh+2].[Rh+2]","USCJOPQLROKWNK-UHFFFAOYSA-J",24202425,NA,"PDBC38436","654727","Present",NA,NA
+"38437","Methanone, (2-pyridinyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, di-2-pyridinyl-, (2-pyridinyl)hydrazone",NA,"C1=CC=NC(=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3","NQMRQOJBICGFQU-UHFFFAOYSA-N",395597,NA,"PDBC38437","700342","Present",NA,NA
+"38438","Methanone, 2,6-pyridinediylbis[(4-fluorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, 2,6-pyridinediylbis[(4-fluorophenyl)-",NA,"C1=CC(=NC(=C1)C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F","ZWBHLMOYZNLVNU-UHFFFAOYSA-N",365542,NA,"PDBC38438","633242","Present",NA,NA
+"38439","Methanone, 2-pyridinylhydrazone,manganese diacetate complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Manganese, bis(acetato-O)[(phenyl-2-pyridinyl-methanone(...",NA,"CC(=O)[O-].CC(=O)[O-].C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3.[Mn+2]","LYLWYSBJLQWRSM-XQKVXRCISA-L",24202085,NA,"PDBC38439","625538","Present",NA,NA
+"38440","Methanone, 2-pyridylhydrazone, nickel acetate complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, phenyl-2-pyridyl-, 2-pyridylhydrazone, nickel...",NA,"CC(=O)[O-].C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3.[Ni]","QTNQQWMVPCPVFO-PJPLBZAPSA-M",24202087,NA,"PDBC38440","625542","Present",NA,NA
+"38441","Methanone, [1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)-3-piperidinyl](4-hydroxyphenyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, [1-ethyl-4-hydroxy-4-(4-hydroxyphenyl)-3-piperidinyl](4-hydroxyphenyl)-, hydrochloride",NA,"CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)O)(C3=CC=C(C=C3)O)O.Cl","QNADAMPUYNDRRW-UHFFFAOYSA-N",376395,NA,"PDBC38441","657304","Present",NA,NA
+"38442","Methanone, [4-[2-[bis(3-aminopropyl)amino]ethyl]-1-imidazolyl]-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, [4-[2-[bis(3-aminopropyl)amino]ethyl]-1-imida...",NA,"C1=CC=C(C=C1)C(=O)N2C=C(N=C2)CCN(CCCN)CCCN","YDXXNGYHCSSFQE-UHFFFAOYSA-N",396988,NA,"PDBC38442","704225","Present",NA,NA
+"38443","Methanone, bis(4-(dimethylamino)phenyl)-, hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-91134",NA,"CN(C)C1=CC=C(C=C1)C(=NN)C2=CC=C(C=C2)N(C)C","PCZXDDXEYBFQIQ-UHFFFAOYSA-N",397978,NA,"PDBC38443","707050","Present",NA,NA
+"38444","Methanone,3-benzodioxol-5-yl)methyl]-1H-imidazol-5-yl]methyl]-4-91-naphthalenyl)-1H-pyrrol-3-yl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanone, 4-methyl-1-piperazinyl-1-[[1-[(1,3-benzodioxo...",NA,"CN1CCN(CC1)C(=O)C2=CN(C=C2C3=CC=CC4=CC=CC=C43)CC5=CN=CN5CC6=CC7=C(C=C6)OCO7.Cl","XIZLDRQEDOGKMT-UHFFFAOYSA-N",397854,NA,"PDBC38444","706470","Present",NA,NA
+"38445","Methasquin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methasquin",NA,"CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O","NTKNUVXCGJPJQP-UHFFFAOYSA-N",29335,NA,"PDBC38445","122870","Present",NA,NA
+"38446","Methdilazine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tacaryl",NA,"CN1CCC(C1)CN2C3=CC=CC=C3SC4=CC=CC=C42.Cl","IEISBKIVLDXSMZ-UHFFFAOYSA-N",14676,NA,"PDBC38446","169091","Present",NA,NA
+"38447","Methenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methenamine",NA,NA,"C1N2CN3CN1CN(C2)C3","VKYKSIONXSXAKP-UHFFFAOYSA-N",4101,NA,"PDBC38447",NA,"Absent",NA,NA
+"38448","Methenamine allyl iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"allyliodourotropine",NA,"C=CC[N+]12CN3CN(C1)CN(C3)C2.[I-]","MWNFHPSPNQSWME-UHFFFAOYSA-M",2827274,NA,"PDBC38448","5062","Present",NA,NA
+"38449","Methionine Enkephalin Acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methionine Enkephalin Acetate",NA,"CC(=O)O.CSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)N","YWBMODPHGARALU-UHFFFAOYSA-N",363143,NA,"PDBC38449","627726","Present",NA,NA
+"38450","Methiothepin maleate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"metitepine maleate///NSC759875",NA,"CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)SC.C(=CC(=O)O)C(=O)O","IWDBEHWZGDSFHR-BTJKTKAUSA-N",5358812,NA,"PDBC38450","281816///759875","Present",NA,NA
+"38451","Methisazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mibt",NA,"CN1C2=CC=CC=C2C(=C1O)N=NC(=S)N","TTZUCVNWOZLIGL-UHFFFAOYSA-N",667492,NA,"PDBC38451","69811","Present",NA,NA
+"38452","Methothalistyline diiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methothalistyline diiodide",NA,"C[N+]1(CCC2=C(C3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C(=C7CC[N+]6(C)C)OC)OC)OC)OC)OCO3)OC)C.[I-]","JHGHYIJYFIQQGG-UHFFFAOYSA-M",5458529,NA,"PDBC38452","269187","Present",NA,NA
+"38453","Methotrexate Derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methotrexate Derivative",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C4=CC=CC=C43)C(=O)NC(CCC(=O)O)C(=O)O","XNZUKUJONMYGIN-UHFFFAOYSA-N",425430,NA,"PDBC38453","174121","Present",NA,NA
+"38454","Methoxy-N-(5-propoxybenzothiazol-2-yl)carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Propoxy-benzothiazol-2-yl-carbamic acid methyl ester",NA,"CCCOC1=CC2=C(C=C1)SC(=N2)NC(=O)OC","QJZXSKCKYCCMTR-UHFFFAOYSA-N",4450833,NA,"PDBC38454","764933","Present",NA,NA
+"38455","Methoxybenzoestra-1,5(10),16-tetraen-3-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methoxybenzoestra-1,3,5(10),16-tetraen-3-ol",NA,"CC12CCC3C(C1CC4=C2C=C(C=C4)OC)CCC5=C3C=CC(=C5)O","JOBKVULMFWGUNT-MJQPMCEXSA-N",24205961,NA,"PDBC38455","737523","Present",NA,NA
+"38456","Methoxybrassenin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methoxybrassenin B 1-Methoxy-1H-indole-3-carboxylic acid...",NA,"CON1C=C(C2=CC=CC=C21)C(=O)N=C(SC)SC","NFGCTENDKLNJTI-UHFFFAOYSA-N",15145690,NA,"PDBC38456","732256","Present",NA,NA
+"38457","Methoxyphenamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"orthoxine hydrochloride",NA,"CC(CC1=CC=CC=C1OC)NC.Cl","FGSJNNQVSUVTPW-UHFFFAOYSA-N",9859211,NA,"PDBC38457","65644","Present",NA,NA
+"38458","Methyl (((5-(6-hydroxy-5,5,7,7-tetramethyl-2-oxotetrahydroimidazo[1,5-b][1,2,4]oxadiazol-1(2H)-yl)-2-methylanilino)carbonyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[5-(6-hydroxy-5,5,7,7-tetramethyl-2-oxo-7aH-imidazo[1,5-b][1,2,4]oxadiazol-1-yl)-2-methylphenyl]carbamoylamino]acetate",NA,"CC1=C(C=C(C=C1)N2C3C(N(C(N3OC2=O)(C)C)O)(C)C)NC(=O)NCC(=O)OC","FMMCQKQIWFNXPI-UHFFFAOYSA-N",382413,NA,"PDBC38458","669976","Present",NA,NA
+"38459","Methyl (((6-(((2-methoxy-2-oxoethyl)amino)carbonyl)-2,8-dimethyl-4-phenoxathiinyl)carbonyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[6-[(2-methoxy-2-oxo-ethyl)carbamoyl]-2,8-dimethyl-phenoxathiine-4-carbonyl]amino]acetate",NA,"CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3O2)C(=O)NCC(=O)OC)C)C(=O)NCC(=O)OC","ZORWBENHEMZPAV-UHFFFAOYSA-N",388807,NA,"PDBC38459","683894","Present",NA,NA
+"38460","Methyl ((1-(4-methoxybenzyl)-2-thioxo-1,3-diazaspiro[4.4]non-3-en-4-yl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl ((1-(4-methoxybenzyl)-2-thioxo-1,3-diazaspiro[4.4]non-3-en-4-yl)amino)acetate",NA,"COC1=CC=C(C=C1)CN2C(=S)NC(=NCC(=O)OC)C23CCCC3","MJSYRDLCDIAEJW-UHFFFAOYSA-N",135426588,NA,"PDBC38460","700358","Present",NA,NA
+"38461","Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl ((4-(hydroxy(oxido)amino)benzyl)dithio)acetate",NA,"COC(=O)CSSCC1=CC=C(C=C1)[N+](=O)[O-]","QXKKNZRCMRBLPV-UHFFFAOYSA-N",345888,NA,"PDBC38461","403805","Present",NA,NA
+"38462","Methyl ((5-(4-hydroxy-3-(hydroxy(oxido)amino)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl ((5-(4-hydroxy-3-(hydroxy(oxido)amino)phenyl)-4H-1,2,4-triazol-3-yl)thio)acetate",NA,"COC(=O)CSC1=NNC(=N1)C2=CC(=C(C=C2)O)[N+](=O)[O-]","WIZYWMQIOGOGTQ-UHFFFAOYSA-N",3377016,NA,"PDBC38462","634483","Present",NA,NA
+"38463","Methyl (1,4-dimethyl-9-(3-oxobutyl)-9H-fluoren-9-yl)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1,4-dimethyl-9-(3-oxobutyl)-9H-fluoren-9-yl)(oxo)acetate",NA,"CC1=C2C3=CC=CC=C3C(C2=C(C=C1)C)(CCC(=O)C)C(=O)C(=O)OC","CJOBWFVDSQCCQO-UHFFFAOYSA-N",362103,NA,"PDBC38463","625631","Present",NA,NA
+"38464","Methyl (1-benzoyl-5-ethyl-2-(1H-indol-3-ylmethyl)-3-oxo-4-piperidinyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1-benzoyl-5-ethyl-2-(1H-indol-3-ylmethyl)-3-oxo-4-piperidinyl)acetate",NA,"CCC1CN(C(C(=O)C1CC(=O)OC)CC2=CNC3=CC=CC=C32)C(=O)C4=CC=CC=C4","LQPFWHUHISWTOT-UHFFFAOYSA-N",392527,NA,"PDBC38464","693043","Present",NA,NA
+"38465","Methyl (1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1-cyclohexyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbonylcarbamate",NA,"COC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2CCCCC2","BRALFRIOPYDWHB-UHFFFAOYSA-N",367236,NA,"PDBC38465","636779","Present",NA,NA
+"38466","Methyl (11R)-11-(1H-indol-2-yl)-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-11-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (11R)-11-(1H-indol-2-yl)-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-11-carboxylate",NA,"CC1(OC2C3CC(C(C2O1)NC3)(C4=CC5=CC=CC=C5N4)C(=O)OC)C","JHVNRJMXZHAOAP-XBJMVUOGSA-N",397003,NA,"PDBC38466","704240","Present",NA,NA
+"38467","Methyl (11R)-11-(1H-indol-2-yl)-8-[2-[methoxy(methyl)amino]-2-oxoethyl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-11-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (11R)-11-(1H-indol-2-yl)-8-[2-[methoxy(methyl)amino]-2-oxoethyl]-4,4-dimethyl-3,5-dioxa-8-azatricyclo[5.2.2.02,6]undecane-11-carboxylate",NA,"CC1(OC2C3CC(C(C2O1)N(C3)CC(=O)N(C)OC)(C4=CC5=CC=CC=C5N4)C(=O)OC)C","IDAVDHLBWSCQIN-CUPBJOGFSA-N",397007,NA,"PDBC38467","704243","Present",NA,NA
+"38468","Methyl (11R)-12-ethyl-11-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (11R)-12-ethyl-11-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate",NA,"CCC12C=CCN3C1C4(CC3)C5=CC=CC=C5NC4=C(C2O)C(=O)OC","STPIZSHIGYPTLA-IIDKWZDJSA-N",373673,NA,"PDBC38468","650468","Present",NA,NA
+"38469","Methyl (1R)-15-oxo-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R)-15-oxo-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8-tetraene-1-carboxylate",NA,"COC(=O)C12CC3CN(C1CC3=O)CC4=C2NC5=CC=CC=C45","VSWKBHWHEOFEFT-DYZZWRBISA-N",396985,NA,"PDBC38469","704222","Present",NA,NA
+"38470","Methyl (1R)-3-(benzenesulfonyl)-11-(bromomethyl)-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R)-3-(benzenesulfonyl)-11-(bromomethyl)-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate",NA,"COC(=O)C12CC3CN(C1C=C3)C(C4=C2N(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6)CBr","RQHNOSGKFUILKG-SPXNYKIGSA-N",396984,NA,"PDBC38470","704221","Present",NA,NA
+"38471","Methyl (1R)-3-(benzenesulfonyl)-11-methylidene-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R)-3-(benzenesulfonyl)-11-methylidene-3,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2(10),4,6,8,15-pentaene-1-carboxylate",NA,"COC(=O)C12CC3CN(C1C=C3)C(=C)C4=C2N(C5=CC=CC=C54)S(=O)(=O)C6=CC=CC=C6","QNCHRPHCNRDGNV-PXSGXWBPSA-N",396986,NA,"PDBC38471","704223","Present",NA,NA
+"38472","Methyl (1R*,2R*)-2-[2-(2-naphtyl)cyclopropyl]-3-methoxypropenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R*,2R*)-2-[2-(2-naphtyl)cyclopropyl]-3-methoxyp...",NA,"COC=C(C1CC1C2=CC3=CC=CC=C3C=C2)C(=O)OC","UELLOFPYXSLCBP-KDUYSQSBSA-N",5472691,NA,"PDBC38472","720771","Present",NA,NA
+"38473","Methyl (1R,2R,6S,7S)-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]dec-8-ene-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,2R,6S,7S)-9-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4-dimethyl-3,5-dioxatricyclo[5.2.1.02,6]dec-8-ene-8-carboxylate",NA,"CC1(OCC(O1)C2=C(C3CC2C4C3OC(O4)(C)C)C(=O)OC)C","GMQSMDNLYJSUQM-MBGSKLRTSA-N",384658,NA,"PDBC38473","674703","Present",NA,NA
+"38474","Methyl (1R,2S,3R,6R,13S,15R,17S)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-3-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,2S,3R,6R,13S,15R,17S)-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-3-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate",NA,"CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C6=CC=CC=C6)C(F)(F)F)(OC5)C(=O)OC)O)O)C)O","JLHWUUZAGPHWJG-LYXVRTPVSA-N",5467619,NA,"PDBC38474","656901","Present",NA,NA
+"38475","Methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-(4,4,4-trifluoro-3-methylbutanoyl)oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-(4,4,4-trifluoro-3-methylbutanoyl)oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate",NA,"CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)O)(OC5)C(=O)OC)O)O)C)OC(=O)CC(C)C(F)(F)F","DRHBGHWWZZPDNF-TYIDACLASA-N",376223,NA,"PDBC38475","656903","Present",NA,NA
+"38476","Methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,2S,3R,6R,13S,15R,17S)-3,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-10-[(Z)-4,4,4-trifluoro-3-phenylbut-2-enoyl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate",NA,"CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)O)(OC5)C(=O)OC)O)O)C)OC(=O)C=C(C6=CC=CC=C6)C(F)(F)F","IQGPVCQYSSOLOZ-DJSJGBTISA-N",5467620,NA,"PDBC38476","656902","Present",NA,NA
+"38477","Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10-acetyloxy-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-10-acetyloxy-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate",NA,"CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)OC(=O)C","TUCCRVXYEZZAAX-HKIXHUCJSA-N",11972632,NA,"PDBC38477","715768","Present",NA,NA
+"38478","Methyl (1R,3R)-2,2-dimethyl-3-phenylsulfanyl-1-prop-2-enylcyclopropane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,3R)-2,2-dimethyl-3-phenylsulfanyl-1-prop-2-enylcyclopropane-1-carboxylate",NA,"CC1(C(C1(CC=C)C(=O)OC)SC2=CC=CC=C2)C","MADBTURQVRXFKX-CJNGLKHVSA-N",397605,NA,"PDBC38478","705946","Present",NA,NA
+"38479","Methyl (1R,3R,4S,5S,13S,16S,17R,18S,20S,21S)-7-[2,5-dihydroxy-3,4-bis(5-oxo-2H-furan-3-yl)-6-[(1S,3S,4R,5R,13R,16R,17S,18R,20R,21R)-4,5,16,21-tetrahydroxy-17-methoxycarbonyl-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosan-7-yl]hexyl]-4,5,16,21-tetrahydroxy-13,17,20-trimethyl-2,6-dioxatetracyclo[10.7.1.13,7.013,18]henicosane-17-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,3R,4S,5S,13S,16S,17R,18S,20S,21S)-7-[2,5-dihydroxy-3,4-bis(5-oxo-2H-furan-3-yl)-6-[(1S,3S,4R,5R,13R,16R,17S,18R,20R,21R)-4,5,16,21-tetrahydroxy-17-methoxycarbonyl-13,17,20-trimethyl-2,6-dio",NA,"CC1C2CCCCC3(C(C(C(C(O3)O)O)OC1CC4C2(CCC(C4(C)C(=O)OC)O)C)O)CC(C(C5=CC(=O)OC5)C(C6=CC(=O)OC6)C(CC78CCCCC9C(C(CC1C9(CCC(C1(C)C(=O)OC)O)C)OC(C7O)C(C(O8)O)O)C)O)O","ZLZXFPXPHHITTL-ASMVMCBCSA-N",401955,NA,"PDBC38479","715643","Present",NA,NA
+"38480","Methyl (1R,3S,6R,10S,11S,14S)-14-ethenyl-6,10,14-trimethyl-2-oxatetracyclo[9.4.0.01,3.05,10]pentadecane-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,3S,6R,10S,11S,14S)-14-ethenyl-6,10,14-trimethyl-2-oxatetracyclo[9.4.0.01,3.05,10]pentadecane-6-carboxylate",NA,"CC1(CCC2C3(CCCC(C3CC4C2(C1)O4)(C)C(=O)OC)C)C=C","FRNRNPACHMDZSP-IRBXKFIHSA-N",395712,NA,"PDBC38480","700510","Present",NA,NA
+"38481","Methyl (1R,4R)-1-methyl-6,11-dioxo-1,4-dihydropyridazino[1,2-b]phthalazine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(1r,4r)-4-methyl-6,11-dioxo-1,4,6,11-tetrahydropyridazino[1,2-b]phthalazine-1-carboxylate",NA,"CC1C=CC(N2N1C(=O)C3=CC=CC=C3C2=O)C(=O)OC","DKPCJURVYIFDCJ-BXKDBHETSA-N",373138,NA,"PDBC38481","649080","Present",NA,NA
+"38482","Methyl (1R,4S,12R)-9-hydroxy-10-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-5,8-diene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,4S,12R)-9-hydroxy-10-oxo-2-oxatricyclo[6.3.1.04,12]dodeca-5,8-diene-12-carboxylate",NA,"COC(=O)C12C3CC(=O)C(=C1CC=CC2CO3)O","VCJZQZHQVITREW-XBURVNOZSA-N",396518,NA,"PDBC38482","702760","Present",NA,NA
+"38483","Methyl (1R,4aR,7E,8aS)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,4aR,7E,8aS)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate",NA,"CC1C2C(CCC1=CC(=O)OC)C3(CCCC(C3CC2=O)(C)C(=O)OC)C","UMKMKHVTQXNBRV-YKJDRUMHSA-N",11969929,NA,"PDBC38483","639386","Present",NA,NA
+"38484","Methyl (1R,4aR,7Z,8aS)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,4aR,7Z,8aS)-7-(2-methoxy-2-oxoethylidene)-1,4a,8-trimethyl-9-oxo-2,3,4,4b,5,6,8,8a,10,10a-decahydrophenanthrene-1-carboxylate",NA,"CC1C2C(CCC1=CC(=O)OC)C3(CCCC(C3CC2=O)(C)C(=O)OC)C","UMKMKHVTQXNBRV-WKBJNWPZSA-N",11969930,NA,"PDBC38484","639387","Present",NA,NA
+"38485","Methyl (1R,7R,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclohexane-1,9'-naphtho[1',2':4,5]furo[2,3-d][1,3...",NA,"COC(=O)C12CC=C3C(C1C(=O)C=CC2=O)C4C(O3)OC5(O4)CCCCC5","HQZLAHBNJAJFOY-WJIWHZPCSA-N",359460,NA,"PDBC38485","620325","Present",NA,NA
+"38486","Methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-bromo-12-ethyl-10-hydroxy-5-methoxy-8-methyl-6-nitro-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1R,9R,10S,11R,12R,19R)-11-acetyloxy-4-bromo-12-ethyl-10-hydroxy-5-methoxy-8-methyl-6-nitro-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C(C(=C(C=C45)Br)OC)[N+](=O)[O-])C","JAFZETPFHBUEMW-ACSXSLCXSA-N",400602,NA,"PDBC38486","712724","Present",NA,NA
+"38487","Methyl (1S)-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S)-1-(2-methylpropyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;hydrochloride",NA,"CC(C)CC1C2=C(CC(N1)C(=O)OC)C3=CC=CC=C3N2.Cl","AMHPROCTEFVFQH-QDVCFFRGSA-N",11969854,NA,"PDBC38487","628512","Present",NA,NA
+"38488","Methyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate",NA,"CCCCCCCCCC1CC2CCC3N2C(=N1)NC(=C3C(=O)OC)C","PZCUXEXAQPZHFP-DVKDBIPTSA-N",401693,NA,"PDBC38488","715423","Present",NA,NA
+"38489","Methyl (1S,15R,17S,18S,19R,20S)-6,18-dimethoxy-17-[(E)-3-(4-methoxy-3-propanoyloxyphenyl)prop-2-enoyl]oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl (1S,15R,17S,18S,19R,20S)-6,18-dimethoxy-17- {[(2E...",NA,"CCC(=O)OC1=C(C=CC(=C1)C=CC(=O)OC2CC3CN4CCC5=C(C4CC3C(C2OC)C(=O)OC)NC6=C5C=CC(=C6)OC)OC","ZCXJLKSQNBNGSW-YDUJIRBUSA-N",155809762,NA,"PDBC38489","776825","Present",NA,NA
+"38490","Methyl (1S,2R)-1-benzamido-2-formylcyclopropane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686353",NA,"COC(=O)C1(CC1C=O)NC(=O)C2=CC=CC=C2","SUPLHWWSRCYJTF-GWCFXTLKSA-N",389758,NA,"PDBC38490","686353","Present",NA,NA
+"38491","Methyl (1S,2R,4aS,5R,6R,8aR)-5-(acetyloxymethyl)-5-[2-(furan-3-yl)-2-oxoethyl]-2-hydroxy-6,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S,2R,4aS,5R,6R,8aR)-5-(acetyloxymethyl)-5-[2-(furan-3-yl)-2-oxoethyl]-2-hydroxy-6,8a-dimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-1-carboxylate",NA,"CC1CCC2(C(C1(CC(=O)C3=COC=C3)COC(=O)C)CCC(C2C(=O)OC)O)C","CADQCGHOYKAFRM-QYGDFYLKSA-N",390650,NA,"PDBC38491","688253","Present",NA,NA
+"38492","Methyl (1S,2R,6R,8aS)-5-[2-(furan-3-yl)-2-oxoethyl]-2-hydroxy-6,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S,2R,6R,8aS)-5-[2-(furan-3-yl)-2-oxoethyl]-2-hydroxy-6,8a-dimethyl-2,3,4,6,7,8-hexahydro-1H-naphthalene-1-carboxylate",NA,"CC1CCC2(C(C(CCC2=C1CC(=O)C3=COC=C3)O)C(=O)OC)C","WXNQCEUSWTUPDX-RMPJWLMTSA-N",390642,NA,"PDBC38492","688244","Present",NA,NA
+"38493","Methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S,3R,4R,7R,10S)-3-(furan-2-yl)-2,5-bis-(4-methylphenyl)sulfonyl-2,5-diazatricyclo[5.2.1.04,10]decane-1-carboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC3CCC4(C3C2C(N4S(=O)(=O)C5=CC=C(C=C5)C)C6=CC=CO6)C(=O)OC","ONUWTXQDMDZGJK-IUCVVGBRSA-N",401754,NA,"PDBC38493","715484","Present",NA,NA
+"38494","Methyl (1S,3R,4R,7R,10S)-3-phenyl-2-azatricyclo[5.2.1.04,10]decane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S,3R,4R,7R,10S)-3-phenyl-2-azatricyclo[5.2.1.04,10]decane-1-carboxylate",NA,"COC(=O)C12CCC3C1C(CC3)C(N2)C4=CC=CC=C4","WVXFLFWPJQWNKR-ZJBDGZLFSA-N",401743,NA,"PDBC38494","715473","Present",NA,NA
+"38495","Methyl (1S,3R,5R,8E,12E,15S,18R)-5,9,13-trimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S,3R,5R,8E,12E,15S,18R)-5,9,13-trimethyl-4,16-dioxatricyclo[13.3.0.03,5]octadeca-8,12-diene-18-carboxylate",NA,"CC1=CCCC2(C(O2)CC3C(CC(=CCC1)C)OCC3C(=O)OC)C","VIEFJEKSUZSOST-ASUPCQDJSA-N",11970110,NA,"PDBC38495","687106","Present",NA,NA
+"38496","Methyl (1S,4R)-4-acetamidocyclopent-2-ene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(+-)-cis-4-Acetamidocyclopent-2-enecarboxylate",NA,"CC(=O)NC1CC(C=C1)C(=O)OC","NEJBWENICROWTO-SFYZADRCSA-N",361509,NA,"PDBC38496","624590","Present",NA,NA
+"38497","Methyl (1S,4R,5R,9R,10R,12R,13R,14S,17S,18R)-14,17-bis(2-cyanoethoxy)-5,9-dimethyl-20-propan-2-ylpentacyclo[10.6.2.01,10.04,9.013,18]icos-19-ene-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl (1S,4S,4aR,4bS,6aR,7R,10aR,10bR,12R,12aR)-1,4-bis...",NA,"CC(C)C1=CC23CCC4C(C2CC1C5C3C(CCC5OCCC#N)OCCC#N)(CCCC4(C)C(=O)OC)C","AOSWFCACFIXBQC-HKJHSTKUSA-N",155808812,NA,"PDBC38497","788857","Present",NA,NA
+"38498","Methyl (1S,4aR,8S,8aS)-1,4a-dimethyl-7-methylidene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S,4aR,8S,8aS)-1,4a-dimethyl-7-methylidene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate",NA,"CC12CCCC(C1CCC3C2CCC(=C)C3CC=O)(C)C(=O)OC","JFJLQXKXXUUAPP-KODOBDFDSA-N",5459178,NA,"PDBC38498","639385","Present",NA,NA
+"38499","Methyl (1S,4aR,8aS)-1,4a-dimethyl-7-methylidene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S,4aR,8aS)-1,4a-dimethyl-7-methylidene-8-(2-oxoethyl)-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate",NA,"CC12CCCC(C1CCC3C2CCC(=C)C3CC=O)(C)C(=O)OC","JFJLQXKXXUUAPP-ZALNFZFTSA-N",6711753,NA,"PDBC38499","639384","Present",NA,NA
+"38500","Methyl (1S,4aR,8aS)-8-(2-hydroxyethyl)-1,4a-dimethyl-7-methylidene-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S,4aR,8aS)-8-(2-hydroxyethyl)-1,4a-dimethyl-7-methylidene-3,4,4b,5,6,8,8a,9,10,10a-decahydro-2H-phenanthrene-1-carboxylate",NA,"CC12CCCC(C1CCC3C2CCC(=C)C3CCO)(C)C(=O)OC","PQFNNXOKMUDTNO-ZALNFZFTSA-N",6711752,NA,"PDBC38500","639383","Present",NA,NA
+"38501","Methyl (1S,4aS,5S,6R,7R,7aR)-6-benzoyloxy-5-hydroxy-7-methyl-1-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate;methyl (1S,4aS,5S,6R,7R,7aR)-5-hydroxy-7-methyl-6-[(E)-3-phenylprop-2-enoyl]oxy-1-[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mixture of iridoid glucosides viz. arbortristosides C an...",NA,"CC1C2C(C(C1OC(=O)C=CC3=CC=CC=C3)O)C(=COC2OC4CC(C(C(C4O)O)O)CO)C(=O)OC.CC1C2C(C(C1OC(=O)C3=CC=CC=C3)O)C(=COC2OC4CC(C(C(C4O)O)O)CO)C(=O)OC","XYPPFFUVIARNLP-ZDIBOPTGSA-N",5387860,NA,"PDBC38501","628603","Present",NA,NA
+"38502","Methyl (1S,4aS,6bR,10S,12aR,14bS)-10-acetyloxy-6-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (1S,4aS,6bR,10S,12aR,14bS)-10-acetyloxy-6-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylate",NA,"CC1CCC2(CC(C3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C)C)C)C2C1C)C)O)C(=O)OC","JJKZFTBHPJKMJN-KHKBANECSA-N",363632,NA,"PDBC38502","628661","Present",NA,NA
+"38503","Methyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2-(cyanoimino)-1,3-thiazolidin-3-yl)acetate",NA,"COC(=O)CN1CCSC1=NC#N","JBRAMXSGFYAPQD-UHFFFAOYSA-N",361714,NA,"PDBC38503","624956","Present",NA,NA
+"38504","Methyl (2-thiophenoxyethyl)-phenylphosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"racemic mixture",NA,"CP(=O)(CCSC1=CC=CC=C1)C2=CC=CC=C2","DWYKUNFLSUYNSF-UHFFFAOYSA-N",365464,NA,"PDBC38504","633097","Present",NA,NA
+"38505","Methyl (2E)-2-(4-chloro-3-oxo-5-phenylfuran-2-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-(4-chloro-3-oxo-5-phenylfuran-2-ylidene)acetate",NA,"COC(=O)C=C1C(=O)C(=C(O1)C2=CC=CC=C2)Cl","FQFSASVRBKROFW-VQHVLOKHSA-N",5468861,NA,"PDBC38505","677938","Present",NA,NA
+"38506","Methyl (2E)-2-(methylsulfanylcarbothioylhydrazinylidene)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-(methylsulfanylcarbothioylhydrazinylidene)propanoate",NA,"CC(=NNC(=S)SC)C(=O)OC","CMWLZXFGUQHLHR-QPJJXVBHSA-N",9572357,NA,"PDBC38506","713064","Present",NA,NA
+"38507","Methyl (2E)-2-(methylsulfonyl)-3-(2-phenyl-1H-indol-3-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-(methylsulfonyl)-3-(2-phenyl-1H-indol-3-yl...",NA,"COC(=O)C(=CC1=C(NC2=CC=CC=C21)C3=CC=CC=C3)S(=O)(=O)C","OTUWOKNFQNEEBU-SFQUDFHCSA-N",45029402,NA,"PDBC38507","746692","Present",NA,NA
+"38508","Methyl (2E)-2-(pyren-1-ylmethylidene)-1,3-benzodithiole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-(pyren-1-ylmethylidene)-1,3-benzodithiole-5-carboxylate",NA,"COC(=O)C1=CC2=C(C=C1)SC(=CC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)S2","BDMFFLAWPMOTCS-OEAKJJBVSA-N",5471695,NA,"PDBC38508","713177","Present",NA,NA
+"38509","Methyl (2E)-2-[(1R,7R,10S,12R)-14-acetamido-7,14-dimethyl-4-oxo-6-azatetracyclo[8.3.1.02,6.07,12]tetradec-2-en-5-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-[(1R,7R,10S,12R)-14-acetamido-7,14-dimethyl-4-oxo-6-azatetracyclo[8.3.1.02,6.07,12]tetradec-2-en-5-ylidene]acetate",NA,"CC(=O)NC1(C2CCC3(C(C2)CC1C4=CC(=O)C(=CC(=O)OC)N43)C)C","IVOIFIGQQDUQCP-HFXQCLIJSA-N",5470606,NA,"PDBC38509","703547","Present",NA,NA
+"38510","Methyl (2E)-2-[(3-nitro-4,5-diphenyl-2-furyl)methylene]hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-[(3-nitro-4,5-diphenyl-2-furyl)methylene]hydrazinecarboxylate",NA,"COC(=O)NN=CC1=C(C(=C(O1)C2=CC=CC=C2)C3=CC=CC=C3)[N+](=O)[O-]","PXLDZXDCESCFPH-UDWIEESQSA-N",9555839,NA,"PDBC38510","641825","Present",NA,NA
+"38511","Methyl (2E)-2-[1-[2-[6-(cyanomethyl)-1,3-benzodioxol-5-yl]ethyl]pyrrolidin-2-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-[1-[2-[6-(cyanomethyl)-1,3-benzodioxol-5-yl]ethyl]pyrrolidin-2-ylidene]acetate",NA,"COC(=O)C=C1CCCN1CCC2=CC3=C(C=C2CC#N)OCO3","NLPPGQPGOWINQJ-RVDMUPIBSA-N",5471896,NA,"PDBC38511","715197","Present",NA,NA
+"38512","Methyl (2E)-2-[2-(3-chlorophenyl)imino-3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-((Z)-2-((3-chlorophenyl)imino)-3-(2-(5-hydroxy-...",NA,"COC(=O)C=C1C(=O)N(C(=NC2=CC(=CC=C2)Cl)S1)CCC3=CNC4=C3C=C(C=C4)O","AXEUHBMQYXVYOA-WOCQWUMRSA-N",155811740,NA,"PDBC38512","797222","Present",NA,NA
+"38513","Methyl (2E)-2-[2-(4-fluorophenyl)imino-3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-oxo-1,3-thiazolidin-5-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-((Z)-2-((4-fluorophenyl)imino)-3-(2-(5-hydroxy-...",NA,"COC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)F)S1)CCC3=CNC4=C3C=C(C=C4)O","OODBGZYWCNSWNS-WOCQWUMRSA-N",155806292,NA,"PDBC38513","797221","Present",NA,NA
+"38514","Methyl (2E)-2-[2-[3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-4-oxo-1,3-thiazol-5-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-(2-(5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-di...",NA,"COC(=O)C=C1C(=O)N=C(S1)N2C(CC(=N2)C3=CC=CS3)C4=CC=C(C=C4)F","KNGLFTPLKDGLRC-MHWRWJLKSA-N",155815218,NA,"PDBC38514","789053","Present",NA,NA
+"38515","Methyl (2E)-2-[3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-((Z)-3-(2-(5-hydroxy-1H-indol-3-yl)ethyl)-4-oxo...",NA,"COC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)C(F)(F)F)S1)CCC3=CNC4=C3C=C(C=C4)O","GVPYKOOWYUMGLO-ZVWBETBCSA-N",155812159,NA,"PDBC38515","797220","Present",NA,NA
+"38516","Methyl (2E)-2-[5-(2,4-dimethylphenyl)-3-oxofuran-2-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-[5-(2,4-dimethylphenyl)-3-oxofuran-2-ylidene]acetate",NA,"CC1=CC(=C(C=C1)C2=CC(=O)C(=CC(=O)OC)O2)C","XMPDXVCFQSDAOS-RIYZIHGNSA-N",5468712,NA,"PDBC38516","674918","Present",NA,NA
+"38517","Methyl (2E)-2-[[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-3-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-[[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]methylidene]-3-oxobutanoate",NA,"CC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C(=O)OC","CVNBWTYCCZPDJH-CSKARUKUSA-N",24203795,NA,"PDBC38517","729527","Present",NA,NA
+"38518","Methyl (2E)-2-cyano-2-(5-hydroxy-1-methylpyrrolidin-2-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-cyano-2-(5-hydroxy-1-methylpyrrolidin-2-ylidene)acetate",NA,"CN1C(CCC1=C(C#N)C(=O)OC)O","VAJOWGNVEGYJLV-VOTSOKGWSA-N",5388537,NA,"PDBC38518","636821","Present",NA,NA
+"38519","Methyl (2E)-2-cyano-2-(5-hydroxypyrrolidin-2-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-cyano-2-(5-hydroxypyrrolidin-2-ylidene)acetate",NA,"COC(=O)C(=C1CCC(N1)O)C#N","VOCHFQKUSYTHMM-AATRIKPKSA-N",5388536,NA,"PDBC38519","636820","Present",NA,NA
+"38520","Methyl (2E)-2-cyano-2-(5-methoxy-1-methylpyrrolidin-2-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-cyano-2-(5-methoxy-1-methylpyrrolidin-2-ylidene)acetate",NA,"CN1C(CCC1=C(C#N)C(=O)OC)OC","HTPAEIDGDCAILW-BQYQJAHWSA-N",5388540,NA,"PDBC38520","636824","Present",NA,NA
+"38521","Methyl (2E)-2-cyano-2-(5-methoxypyrrolidin-2-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-cyano-2-(5-methoxypyrrolidin-2-ylidene)acetate",NA,"COC1CCC(=C(C#N)C(=O)OC)N1","PDCJKUBACSWFHJ-VOTSOKGWSA-N",5388539,NA,"PDBC38521","636823","Present",NA,NA
+"38522","Methyl (2E)-2-cyano-2-[1-methyl-5-[3-(trifluoromethyl)anilino]pyrrolidin-2-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-cyano-2-[1-methyl-5-[3-(trifluoromethyl)anilino]pyrrolidin-2-ylidene]acetate",NA,"CN1C(CCC1=C(C#N)C(=O)OC)NC2=CC=CC(=C2)C(F)(F)F","MWUANIGCVSNLIN-OUKQBFOZSA-N",5388538,NA,"PDBC38522","636822","Present",NA,NA
+"38523","Methyl (2E)-2-cyano-2-[4-(3-morpholinopropyl)-1H-tetrazol-5-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-2-cyano-2-[4-(3-morpholinopropyl)-1H-tetrazol-5-ylidene]acetate",NA,"COC(=O)C(=C1N=NNN1CCCN2CCOCC2)C#N","IDIPUMHPIBAEKR-ZHACJKMWSA-N",5387691,NA,"PDBC38523","625767","Present",NA,NA
+"38524","Methyl (2E)-3-(2-methyl-1H-indol-3-yl)-2-(phenylsulfonyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E)-3-(2-methyl-1H-indol-3-yl)-2-(phenylsulfonyl...",NA,"CC1=C(C2=CC=CC=C2N1)C=C(C(=O)OC)S(=O)(=O)C3=CC=CC=C3","OBAIWMSXUQQVAB-LDADJPATSA-N",45029404,NA,"PDBC38524","746694","Present",NA,NA
+"38525","Methyl (2E)-5,5-diphenyl-2,4-pentadienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.522.543I",NA,"COC(=O)C=CC=C(C1=CC=CC=C1)C2=CC=CC=C2","RXSQYCYZFXKHKU-RIYZIHGNSA-N",6163542,NA,"PDBC38525","113053","Present",NA,NA
+"38526","Methyl (2E,4E)-2-cyano-5-methoxypenta-2,4-dienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-(2E,4E)-2-cyano-5-methoxy-2,4-pentadiene carboxylate",NA,"COC=CC=C(C#N)C(=O)OC","YADFOKRCZMZRCS-HJIKTHEYSA-N",5468989,NA,"PDBC38526","680774","Present",NA,NA
+"38527","Methyl (2E,4E)-5-(4-acetyl-5-methyl-2-furyl)-3-methylpenta-2,4-dienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E,4E)-5-(4-acetyl-5-methyl-2-furyl)-3-methylpenta-2,4-dienoate",NA,"CC1=C(C=C(O1)C=CC(=CC(=O)OC)C)C(=O)C","BFFQTAPFPPQJQX-SBIWHPGTSA-N",5388759,NA,"PDBC38527","638464","Present",NA,NA
+"38528","Methyl (2E,4E)-5-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)-3-methylpenta-2,4-dienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E,4E)-5-(5-hydroxy-2-methyl-1,3-dioxan-4-yl)-3-methylpenta-2,4-dienoate",NA,"CC1OCC(C(O1)C=CC(=CC(=O)OC)C)O","QNWYWFYUOBOJIF-DVBIZMGNSA-N",5388764,NA,"PDBC38528","638469","Present",NA,NA
+"38529","Methyl (2E,4E,6E,8E)-9-(4-ethynyl-1,3,5-trimethylpyrrol-2-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2E,4E,6E,8E)-9-(4-ethynyl-1,3,5-trimethylpyrrol-2-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate",NA,"CC1=C(N(C(=C1C#C)C)C)C=CC(=CC=CC(=CC(=O)OC)C)C","MHDOKRPIVXSMRQ-GDKHOTECSA-N",5388757,NA,"PDBC38529","638462","Present",NA,NA
+"38530","Methyl (2R)-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2R)-2-(3,4-dimethoxyphenyl)-5-oxooxolane-3-carboxylate",NA,"COC1=C(C=C(C=C1)C2C(CC(=O)O2)C(=O)OC)OC","USCRXCPMYUIYBB-NCWAPJAISA-N",360097,NA,"PDBC38530","621958","Present",NA,NA
+"38531","Methyl (2R)-2-[(2-iodo-4-methoxy-3-phenylmethoxyphenyl)methyl]-4-oxo-1-[(1R)-1-phenylethyl]-2,3-dihydropyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2R)-2-[(2-iodo-4-methoxy-3-phenylmethoxyphenyl)methyl]-4-oxo-1-[(1R)-1-phenylethyl]-2,3-dihydropyridine-3-carboxylate",NA,"CC(C1=CC=CC=C1)N2C=CC(=O)C(C2CC3=C(C(=C(C=C3)OC)OCC4=CC=CC=C4)I)C(=O)OC","XRDMPFIUWNWHJN-PQQPSFJSSA-N",401721,NA,"PDBC38531","715451","Present",NA,NA
+"38532","Methyl (2R)-2-[(4-acetyloxyphenyl)methyl]-1,3-dihydropyrazolo[1,5-a]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(2r)-2-[(4-acetoxyphenyl)methyl]-1,3-dihydropyrazolo[1,5-a]indole-2-carboxylate",NA,"CC(=O)OC1=CC=C(C=C1)CC2(CC3=CC4=CC=CC=C4N3N2)C(=O)OC","IPAPKRTZBPWDON-OAQYLSRUSA-N",398181,NA,"PDBC38532","707776","Present",NA,NA
+"38533","Methyl (2R)-3-(1H-indol-3-yl)-2-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-methyl 3-(1H-indol-3-yl)-2-(((((1aR,7aS,10aS,10bS,E)...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC","MMEYRAXWRZOSNR-IJZHEINKSA-N",155810470,NA,"PDBC38533","794111","Present",NA,NA
+"38534","Methyl (2R)-3-(1H-indol-3-yl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-methyl 2-cinnamamido-3-(1H-indol-3-yl)propanoate",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C=CC3=CC=CC=C3","YKNHOQVMMAPARH-TZZQJPOUSA-N",7033619,NA,"PDBC38534","772451","Present",NA,NA
+"38535","Methyl (2R)-3-[[3-methoxy-3-oxo-2-[[(E)-4-oxopent-2-en-2-yl]amino]propyl]disulfanyl]-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2R)-3-[[3-methoxy-3-oxo-2-[[(E)-4-oxopent-2-en-2-yl]amino]propyl]disulfanyl]-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanoate",NA,"CC(=CC(=O)C)NC(CSSCC(C(=O)OC)NC(=CC(=O)C)C)C(=O)OC","AWBFVTNSJKHMQF-HVAOIQQZSA-N",5472356,NA,"PDBC38535","718133","Present",NA,NA
+"38536","Methyl (2R,3R)-3-(4-methylphenyl)sulfanyl-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2R,3R)-3-(4-methylphenyl)sulfanyl-2-(phenylmethoxycarbonylamino)-2-(trifluoromethyl)butanoate",NA,"CC1=CC=C(C=C1)SC(C)C(C(=O)OC)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","QLPLLHZDUUKMOT-FOIQADDNSA-N",400069,NA,"PDBC38536","711499","Present",NA,NA
+"38537","Methyl (2R,3R,4aR,8aS)-2-[(2S,3R,7R)-7-hydroxy-3,7-dimethyloxepan-2-yl]-8a-methyl-6-oxo-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2R,3R,4aR,8aS)-2-[(2S,3R,7R)-7-hydroxy-3,7-dimethyloxepan-2-yl]-8a-methyl-6-oxo-2,3,4,4a,7,8-hexahydropyrano[3,2-b]pyran-3-carboxylate",NA,"CC1CCCC(OC1C2C(CC3C(O2)(CCC(=O)O3)C)C(=O)OC)(C)O","SCIFKKFQEFQRAY-NNSUIMSBSA-N",393112,NA,"PDBC38537","694506","Present",NA,NA
+"38538","Methyl (2R,3S)-2-[(2-iodo-4-methoxy-3-phenylmethoxyphenyl)methyl]-4-oxo-3-(3-oxobutyl)-1-[(1R)-1-phenylethyl]-2H-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2R,3S)-2-[(2-iodo-4-methoxy-3-phenylmethoxyphenyl)methyl]-4-oxo-3-(3-oxobutyl)-1-[(1R)-1-phenylethyl]-2H-pyridine-3-carboxylate",NA,"CC(C1=CC=CC=C1)N2C=CC(=O)C(C2CC3=C(C(=C(C=C3)OC)OCC4=CC=CC=C4)I)(CCC(=O)C)C(=O)OC","CJTIMRNMTKFFPZ-FZAOUCEASA-N",401720,NA,"PDBC38538","715450","Present",NA,NA
+"38539","Methyl (2R,3aS)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(2r,3as)-2-[(4-hydroxyphenyl)methyl]-1,3,3a,4-tetrahydropyrazolo[1,5-a]indole-2-carboxylate",NA,"COC(=O)C1(CC2CC3=CC=CC=C3N2N1)CC4=CC=C(C=C4)O","WNEYFHLIWBGUFH-HNAYVOBHSA-N",398179,NA,"PDBC38539","707774","Present",NA,NA
+"38540","Methyl (2R,3aS,4S,6R)-6-ethoxy-3a-methyl-4-phenyl-3,4,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2R,3aS,4S,6R)-6-ethoxy-3a-methyl-4-phenyl-3,4,5,6-tetrahydro-2H-[1,2]oxazolo[2,3-b]oxazine-2-carboxylate",NA,"CCOC1CC(C2(CC(ON2O1)C(=O)OC)C)C3=CC=CC=C3","OBURKRNNMHUNSS-HWMZRRJGSA-N",398022,NA,"PDBC38540","707095","Present",NA,NA
+"38541","Methyl (2R,4R,5R)-5-(2-methylheptyl)-2-(1H-pyrrol-2-yl)-1,3-oxazinane-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(2r,4r,5r)-5-(2-methylheptyl)-2-(1h-pyrrol-2-yl)-1,3-oxazinane-4-carboxylate",NA,"CCCCCC(C)CC1COC(NC1C(=O)OC)C2=CC=CN2","UNQFHHAPQIDJED-DMBINBHBSA-N",397630,NA,"PDBC38541","705972","Present",NA,NA
+"38542","Methyl (2R,7R,12R,16R)-8-(acetyloxymethyl)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2R,7R,12R,16R)-8-(acetyloxymethyl)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate",NA,"CC(=O)OCC1C=C2C(C3C(O2)OC4(O3)CCCCC4)C5C1(C(=O)C=CC5=O)C(=O)OC","YNVMSYNFAFJFSE-RFXIOZLASA-N",367566,NA,"PDBC38542","637399","Present",NA,NA
+"38543","Methyl (2S)-2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]propanoate",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)OC)NC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","USVRHAGCOAUNPO-GNLSCFOOSA-N",54604666,NA,"PDBC38543","703983","Present",NA,NA
+"38544","Methyl (2S)-2-[(2-iodoacetyl)carbamoylcarbamoylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783685",NA,"CC(C(=O)OC)NC(=O)NC(=O)NC(=O)CI","YTAJOQIOTKXPFZ-BYPYZUCNSA-N",155810150,NA,"PDBC38544","783685","Present",NA,NA
+"38545","Methyl (2S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(4-hydroxypheny",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)NC(CC5=CC=C(C=C5)O)C(=O)OC)O)N(C6=CC(=C(C=C46)Br)OC)C","XRIKLRARWDXCAQ-QPHAFLMPSA-N",6712912,NA,"PDBC38545","719736","Present",NA,NA
+"38546","Methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]propanoyl]amino]propanoate",NA,"CC(C(=O)OC)NC(=O)C(C)N(CC=C)C(=O)OC(C)(C)C","QLOCPZNPAGGXPO-WDEREUQCSA-N",5471032,NA,"PDBC38546","707483","Present",NA,NA
+"38547","Methyl (2S)-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-3-[3-(4-methoxyphenyl)propanoyloxy]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-2-[[(2R)-2-[[(2S)-1-(2-hydroxypropanoyl)pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-3-[3-(4-methoxyphenyl)propanoyloxy]butanoate",NA,"CC(C)CC(C(=O)NC(C(C)OC(=O)CCC1=CC=C(C=C1)OC)C(=O)OC)N(C)C(=O)C2CCCN2C(=O)C(C)O","SPXYEBPRUABYQE-FWDYXSDKSA-N",380326,NA,"PDBC38547","665810","Present",NA,NA
+"38548","Methyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-2-[[(2R)-2-amino-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoyl]amino]-3-methylbutanoate;2,2,2-trifluoroacetic acid",NA,"CC(C)C(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)N(CCCl)CCCl)N.C(=O)(C(F)(F)F)O","NNKRVLJEHGFQJI-PPPUBMIESA-N",390389,NA,"PDBC38548","687744","Present",NA,NA
+"38549","Methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]amino]bicyclo[2.2.1]hept-5-ene-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(3S)-3-[[(2S)-2-[[(2S)-1-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]amino]bicyclo[2.2.1]hept-5-ene-2-",NA,"CC(C)C(C(=O)OC)NC(=O)C(C)NC(=O)C1CCCN1C(=O)C2C3CC(C2NC(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC6=CC=CC=C6)C(=O)OC)C=C3","RLXNTGLLKMFCPD-NNQXATGDSA-N",399223,NA,"PDBC38549","709896","Present",NA,NA
+"38550","Methyl (2S)-2-[[(2S)-2-[[2-[(2R,6S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC715332///NSC715333",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)CN3C(=O)C4C5CC(C4C3=O)C=C5","LWIJGHRHOGJROI-DVTVBYSNSA-N",401631,NA,"PDBC38550","715332///715333","Present",NA,NA
+"38551","Methyl (2S)-2-[[(3-hexyl-4,5-dihydro-1,2-oxazol-5-yl)-(1H-pyrrol-3-yl)methyl]-methylamino]-3-methylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-2-[[(3-hexyl-4,5-dihydro-1,2-oxazol-5-yl)-(1H-pyrrol-3-yl)methyl]-methylamino]-3-methylbutanoate",NA,"CCCCCCC1=NOC(C1)C(C2=CNC=C2)N(C)C(C(C)C)C(=O)OC","YRPLDGBUZAZOCH-GPJFCIFZSA-N",5387220,NA,"PDBC38551","621891","Present",NA,NA
+"38552","Methyl (2S)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]-4-methylsulfanylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]-4-methylsulfanylbutanoate",NA,"CC(=CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NC(CCSC)C(=O)OC","VBJQKYLPTIHXAE-QGUORLBXSA-N",5470461,NA,"PDBC38552","702106","Present",NA,NA
+"38553","Methyl (2S)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]-3-phenylpropanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4","MOCDWTYZCRQHIP-YGUKWBMBSA-N",5470471,NA,"PDBC38553","702117","Present",NA,NA
+"38554","Methyl (2S)-3-(1H-indol-3-yl)-2-[(2-iodobenzoyl)amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-3-(1H-indol-3-yl)-2-[(2-iodobenzoyl)amino]propanoate",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=CC=C3I","FZZHPXNPQQXODO-KRWDZBQOSA-N",400867,NA,"PDBC38554","713545","Present",NA,NA
+"38555","Methyl (2S)-3-(1H-indol-3-yl)-2-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-methyl 3-(1H-indol-3-yl)-2-(((((1aR,7aS,10aS,10bS,E)...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)OC","MMEYRAXWRZOSNR-HMKQSTIDSA-N",155817152,NA,"PDBC38555","799259","Present",NA,NA
+"38556","Methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]propanoate",NA,"CC(=CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC","VSBQZBCKRUSGJC-ONDKDMNRSA-N",5470462,NA,"PDBC38556","702108","Present",NA,NA
+"38557","Methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-3-(1H-indol-3-yl)-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)CNC(=O)C=CC4=CC(=CC=C4)OC5=CC=CC=C5","FTSAPKROXOYVHL-ITNCCAMPSA-N",5470477,NA,"PDBC38557","702123","Present",NA,NA
+"38558","Methyl (2S)-3-[[[3,5-bis(trifluoromethyl)phenyl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]sulfamoyl]amino]-2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-3-[[[3,5-bis(trifluoromethyl)phenyl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]sulfamoyl]amino]-2-methylpropanoate",NA,"CC(CNS(=O)(=O)N(C1CCN(CC1)CC2=CC=C(C=C2)F)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(=O)OC","DDTZUGDGTUHIPG-INIZCTEOSA-N",54613270,NA,"PDBC38558","749204","Present",NA,NA
+"38559","Methyl (2S)-3-methyl-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-3-methyl-2-[[4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzoyl]amino]butanoate",NA,"CC(C)C(C(=O)OC)NC(=O)C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CC=C2)C","PUZHWKNCNDJEOO-UEBLJOKOSA-N",5470460,NA,"PDBC38559","702105","Present",NA,NA
+"38560","Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CSC(=N3)C4=CC=CC=C4","QLAJDJRYCJNDBK-ZOGILVBSSA-N",5470488,NA,"PDBC38560","702134","Present",NA,NA
+"38561","Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4","GIFXQMFIJPQXBL-GHYURXRVSA-N",5470467,NA,"PDBC38561","702113","Present",NA,NA
+"38562","Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-3-phenyl-2-[[4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]propanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)C4=CC=CC=C4","PUTPHVJSNOIFAS-UKWOOVPBSA-N",5470464,NA,"PDBC38562","702110","Present",NA,NA
+"38563","Methyl (2S)-4-methylsulfanyl-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-4-methylsulfanyl-2-[[4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzoyl]amino]butanoate",NA,"COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC(=CC=C2)OC3=CC=CC=C3","RTJDNSDEDUAYQJ-KWAUPFKJSA-N",5470490,NA,"PDBC38563","702136","Present",NA,NA
+"38564","Methyl (2S,3R)-3-(acetyloxymethyl)-2,5-bis(1,3-benzodioxol-5-yl)-2,3-dihydrofuran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S,3R)-3-(acetyloxymethyl)-2,5-bis(1,3-benzodioxol-5-yl)-2,3-dihydrofuran-4-carboxylate",NA,"CC(=O)OCC1C(OC(=C1C(=O)OC)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5","VYVAEGWNVJHSFQ-YCRPNKLZSA-N",360159,NA,"PDBC38564","622092","Present",NA,NA
+"38565","Methyl (2S,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,"CC(=O)OCC1C(OC(=C1C(=O)OC)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC4=C(C=C3)OCO4","WCIOIFWDSIEEDR-KSFYIVLOSA-N",360161,NA,"PDBC38565","622094","Present",NA,NA
+"38566","Methyl (2S,3R)-3-(acetyloxymethyl)-5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S,3R)-3-(acetyloxymethyl)-5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,"CC(=O)OCC1C(OC(=C1C(=O)OC)C2=CC3=C(C=C2)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","IZLCLGTZWMSOLZ-KSFYIVLOSA-N",360160,NA,"PDBC38566","622093","Present",NA,NA
+"38567","Methyl (2S,3S)-2,3-diacetyloxy-3-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S,3S)-2,3-diacetyloxy-3-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanoate",NA,"CC(=O)OC(C1=NN=C2N1N=C(C=C2)Cl)C(C(=O)OC)OC(=O)C","HIWUTZMGHBFTKR-MNOVXSKESA-N",397773,NA,"PDBC38567","706196","Present",NA,NA
+"38568","Methyl (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate",NA,"COC1=CC(=CC2=C1OC(C2C(=O)OC)C3=CC(=C(C=C3)O)OC)CCC(=O)OC","SWBRZPBRLCJMAS-VQTJNVASSA-N",384747,NA,"PDBC38568","674995","Present",NA,NA
+"38569","Methyl (2S,3S)-2-(4-hydroxyphenyl)-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(2s,3s)-2-(4-hydroxyphenyl)-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate",NA,"COC(=O)CCC1=CC2=C(C=C1)OC(C2C(=O)OC)C3=CC=C(C=C3)O","BJFBGTPRPAKYGH-RBUKOAKNSA-N",384754,NA,"PDBC38569","675007","Present",NA,NA
+"38570","Methyl (2S,3S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S,3S)-2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-methylpentan",NA,"CCC(C)C(C(=O)OC)NC(=O)C1(C2C3(CCN4C3C(C1O)(C=CC4)CC)C5=CC(=C(C=C5N2C)OC)Br)O","IJDDLJXMDLFBQS-NDXOVNRRSA-N",6712913,NA,"PDBC38570","719737","Present",NA,NA
+"38571","Methyl (2S,7R,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S,7R,12R,16R)-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7-carboxylate",NA,"COC(=O)C12CC=C3C(C1C(=O)CCC2=O)C4C(O3)OC5(O4)CCCCC5","HBBYRPITSKHANT-RECWNIQMSA-N",367562,NA,"PDBC38571","637395","Present",NA,NA
+"38572","Methyl (2Z)-2-(1-acetyl-2-oxo-indolin-3-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, (1-acetyl-2,3-dihydro-2-oxo- 3-indolylidene...",NA,"CC(=O)N1C2=CC=CC=C2C(=CC(=O)OC)C1=O","ASWBFUSHNDQBPA-YFHOEESVSA-N",5411409,NA,"PDBC38572","682575","Present",NA,NA
+"38573","Methyl (2Z)-2-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)acetate",NA,"CC(=O)N1C2=C(C=C(C=C2)Br)C(=CC(=O)OC)C1=O","WACRDJCCYIXPRI-POHAHGRESA-N",5408868,NA,"PDBC38573","707058","Present",NA,NA
+"38574","Methyl (2Z)-2-(2-ethynyl-3-hydroxycyclohexylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-(2-ethynyl-3-hydroxycyclohexylidene)acetate",NA,"COC(=O)C=C1CCCC(C1C#C)O","FOCDGBOYQRCIEA-FPLPWBNLSA-N",5386822,NA,"PDBC38574","618226","Present",NA,NA
+"38575","Methyl (2Z)-2-(3-hydroxy-2-prop-1-ynylcyclohexylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-(3-hydroxy-2-prop-1-ynylcyclohexylidene)acetate",NA,"CC#CC1C(CCCC1=CC(=O)OC)O","CFCIXLBPDBCFML-HJWRWDBZSA-N",5387028,NA,"PDBC38575","619926","Present",NA,NA
+"38576","Methyl (2Z)-2-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-(4-chlorophenyl)-2-[4-(4-chlorophenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetate",NA,"COC(=O)C(=C1C(=C(C(=O)O1)C2=CC=C(C=C2)Cl)O)C3=CC=C(C=C3)Cl","JBQCSDVNSJFDOK-ICFOKQHNSA-N",54719013,NA,"PDBC38576","621468","Present",NA,NA
+"38577","Methyl (2Z)-2-(4-hydroxy-2-adamantylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626423///NSC626424",NA,"COC(=O)C=C1C2CC3CC(C2)C(C1C3)O","YXWQILFVBAISMA-POHAHGRESA-N",5387738,NA,"PDBC38577","626423///626424","Present",NA,NA
+"38578","Methyl (2Z)-2-[(2-amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-3-(4-chlorophenyl)-3-cyano-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-[(2-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)hydrazinylidene]-3-(4-chlorophenyl)-3-cyanopropanoate",NA,"COC(=O)C(=NNC1=NC(=S)NN1N)C(C#N)C2=CC=C(C=C2)Cl","FZYJCFPBQINUDU-ZDLGFXPLSA-N",9570039,NA,"PDBC38578","635334","Present",NA,NA
+"38579","Methyl (2Z)-2-[(2-amino-5-thioxo-1H-1,2,4-triazol-3-yl)hydrazono]-3-cyano-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((2-amino-5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)hydrazono)-3-cyano-3-phenylpropanoate",NA,"COC(=O)C(=NNC1=NC(=S)NN1N)C(C#N)C2=CC=CC=C2","PHOAREIAKBDYBV-YVLHZVERSA-N",9570043,NA,"PDBC38579","635396","Present",NA,NA
+"38580","Methyl (2Z)-2-[(3Z)-3-(2-methoxy-2-oxo-ethylidene)-2-benzothiophen-1-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-[(3Z)-3-(2-methoxy-2-oxo-ethylidene)-2-benzothiophen-1-ylidene]acetate",NA,"COC(=O)C=C1C2=CC=CC=C2C(=CC(=O)OC)S1","IISWLGQQRQEIAL-OXAWKVHCSA-N",5387803,NA,"PDBC38580","627570","Present",NA,NA
+"38581","Methyl (2Z)-2-[(aminocarbonyl)hydrazono]-3-[[(3,4-dichlorophenyl)amino](oxo)acetyl]-6-methyl-4-oxohept-5-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-(carbamoylhydrazinylidene)-3-[2-(3,4-dichloroanilino)-2-oxoacetyl]-6-methyl-4-oxohept-5-enoate",NA,"CC(=CC(=O)C(C(=NNC(=O)N)C(=O)OC)C(=O)C(=O)NC1=CC(=C(C=C1)Cl)Cl)C","NSCVUUWGVANSJI-UCQKPKSFSA-N",9571314,NA,"PDBC38581","642003","Present",NA,NA
+"38582","Methyl (2Z)-2-[1-(6-Chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)-2-hydroxy-2-(4-nitrophenyl)ethylidene]hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[(E)-[1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxy-2-(4-nitrophenyl)ethylidene]amino]carbamate",NA,"COC(=O)NN=C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(C3=CC=C(C=C3)[N+](=O)[O-])O","VBCPPHSSHJQCQP-HYARGMPZSA-N",135499167,NA,"PDBC38582","641616","Present",NA,NA
+"38583","Methyl (2Z)-2-[2,2,3-trimethyl-3-[(4-methylphenyl)sulfonylcarbamoyl]cyclopentylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-[2,2,3-trimethyl-3-[(4-methylphenyl)sulfonylcarbamoyl]cyclopentylidene]acetate",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2(CCC(=CC(=O)OC)C2(C)C)C","YJTIOVKGVCFPDN-OWBHPGMISA-N",5470524,NA,"PDBC38583","702439","Present",NA,NA
+"38584","Methyl (2Z)-2-[3-[2-(1H-indol-3-yl)ethyl]-4-oxo-2-[4-(trifluoromethyl)phenyl]imino-1,3-thiazolidin-5-ylidene]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((Z)-3-(2-(1H-indol-3-yl)ethyl)-4-oxo-2-((4-(tr...",NA,"COC(=O)C=C1C(=O)N(C(=NC2=CC=C(C=C2)C(F)(F)F)S1)CCC3=CNC4=CC=CC=C43","MZMRHLWKLCWFFK-UORCZGHMSA-N",155813832,NA,"PDBC38584","795083","Present",NA,NA
+"38585","Methyl (2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)ethanimidate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-[5-amino-4-(4-chlorophenyl)-3-oxofuran-2-ylidene]-2-(4-chlorophenyl)ethanimidate;hydrochloride",NA,"COC(=N)C(=C1C(=O)C(=C(O1)N)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl.Cl","WSTWORGZLYUEMA-LFOWKMTASA-N",50988450,NA,"PDBC38585","621471","Present",NA,NA
+"38586","Methyl (2Z)-2-cyano-2-(3-oxoisoindolin-1-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-cyano-2-(3-oxoisoindolin-1-ylidene)acetate",NA,"COC(=O)C(=C1C2=CC=CC=C2C(=O)N1)C#N","ILMSJJPDUFXHGP-KTKRTIGZSA-N",3004238,NA,"PDBC38586","640180","Present",NA,NA
+"38587","Methyl (2Z)-2-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4,5-dioxo-5-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)amino]pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4,5-dioxo-5-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)amino]pentanoate",NA,"COC(=O)C(=NN)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=NC(=S)NN3","GWMLBUHUEAPILG-YVNNLAQVSA-N",5934823,NA,"PDBC38587","646797","Present",NA,NA
+"38588","Methyl (2Z)-2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-hydroxyimino-3-[4-methoxy-2-(methoxymethoxy)phenyl]propanoate",NA,"COCOC1=C(C=CC(=C1)OC)CC(=NO)C(=O)OC","MRTGZYFXMVIPKN-KAMYIIQDSA-N",9572150,NA,"PDBC38588","705159","Present",NA,NA
+"38589","Methyl (2Z)-3-[5-bromo-4-methoxy-2-(methoxymethoxy)phenyl]-2-hydroxyiminopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-3-[5-bromo-4-methoxy-2-(methoxymethoxy)phenyl]-2-hydroxyiminopropanoate",NA,"COCOC1=CC(=C(C=C1CC(=NO)C(=O)OC)Br)OC","LPUXGDFUGOOBRQ-GDNBJRDFSA-N",9572151,NA,"PDBC38589","705160","Present",NA,NA
+"38590","Methyl (3,5-di-tert-butyl-4-hydroxyphenyl)(((4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]hept-1-yl)carbonyl)amino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl)amino]acetate",NA,"CC1(C2(CCC1(OC2=O)C(=O)NC(C3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C)C(=O)OC)C)C","CAFYNMFOENUKGP-UHFFFAOYSA-N",386881,NA,"PDBC38590","679739","Present",NA,NA
+"38591","Methyl (3-(2-methyl-1,3-dioxolan-2-yl)-4-oxo-2-azetidinyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3-(2-methyl-1,3-dioxolan-2-yl)-4-oxo-2-azetidinyl)acetate",NA,"CC1(OCCO1)C2C(NC2=O)CC(=O)OC","RADSUPFKGXFKEK-UHFFFAOYSA-N",373017,NA,"PDBC38591","648844","Present",NA,NA
+"38592","Methyl (3-(3-imino-5-oxo-2,3,5,7a-tetrahydro-1H-imidazo[2,1-c][1,2,4]triazol-6-yl)-2-oxocycloheptyl)(oxo)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[3-(3-amino-5-oxo-1,7a-dihydroimidazo[2,1-c][1,2,4]triazol-6-yl)-2-oxocycloheptyl]-2-oxoacetate",NA,"COC(=O)C(=O)C1CCCCC(C1=O)C2=NC3NN=C(N3C2=O)N","BTUDDSYILNPZQN-UHFFFAOYSA-N",367043,NA,"PDBC38592","636371","Present",NA,NA
+"38593","Methyl (3-oxo-5-phenyl-2(3H)-furanylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-12647",NA,"COC(=O)C=C1C(=O)C=C(O1)C2=CC=CC=C2","BNDXBUTZZWDWHM-XYOKQWHBSA-N",703028,NA,"PDBC38593","674912","Present",NA,NA
+"38594","Methyl (3R,3aR)-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboximidothioate;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3R,3aR)-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboximidothioate;hydroiodide",NA,"CSC(=N)N1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=CC=C4.I","KZWCRUUTKWNJKC-AKXYIILFSA-N",11970008,NA,"PDBC38594","652819","Present",NA,NA
+"38595","Methyl (3S,3aS,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboximidothioate;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3S,3aS,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazole-2-carboximidothioate;hydroiodide",NA,"CSC(=N)N1C(C2CCCC(=CC3=CC=CC=C3)C2=N1)C4=CC=CC=C4.I","UPHLQBFZEGADQL-YYFLTBMRSA-N",11970009,NA,"PDBC38595","652820","Present",NA,NA
+"38596","Methyl (3S,4S,7S,9S,11R)-11-methyl-9-[(2R)-2-phenylcyclohexyl]oxy-2,10-dioxa-1-azatricyclo[5.3.1.04,11]undecane-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3S,4S,7S,9S,11R)-11-methyl-9-[(2R)-2-phenylcyclohexyl]oxy-2,10-dioxa-1-azatricyclo[5.3.1.04,11]undecane-3-carboxylate",NA,"CC12C3CCC1C(ON2OC(C3)OC4CCCCC4C5=CC=CC=C5)C(=O)OC","XGCDSOUVOLRBLD-KIHBJVPNSA-N",394165,NA,"PDBC38596","697401","Present",NA,NA
+"38597","Methyl (3S,5R)-5-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylate;methyl 5-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3S,5R)-5-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylate;methyl 5-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylate",NA,"COC1=C(C=C(C=C1)C2CC(C(=O)O2)C(=O)OC)OC.COC1=C(C=C(C=C1)C2CC(C(=O)O2)C(=O)OC)OC","NXGFZKLSQWWAKI-QLSWKGBWSA-N",360108,NA,"PDBC38597","621964","Present",NA,NA
+"38598","Methyl (3Z)-2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-4-(2-methoxyanilino)-4-oxo-3-(pyridine-4-carbonylhydrazono)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3Z)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-(2-methoxyanilino)-4-oxo-3-(pyridine-4-carbonylhydrazinylidene)butanoate",NA,"COC1=CC=CC=C1NC(=O)C(=NNC(=O)C2=CC=NC=C2)C(C3=NC4=C(C=C(C=C4)Cl)NC3=O)C(=O)OC","ZDYDZLAMGKYVRL-JDCMOKTRSA-N",5900391,NA,"PDBC38598","648655","Present",NA,NA
+"38599","Methyl (3Z)-3-[(aminocarbonyl)hydrazono]-4-(2-tert-butyl-6-methylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3Z)-4-(2-tert-butyl-6-methylanilino)-3-(carbamoylhydrazinylidene)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=NNC(=O)N)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","JCWNSGRBOZBCIS-GTWSWNCMSA-N",5818809,NA,"PDBC38599","646799","Present",NA,NA
+"38600","Methyl (3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3Z)-3-ethylidene-2,4,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizine-2-carboxylate",NA,"CC=C1CN2CCC3=C(C2CC1C(=O)OC)NC4=CC=CC=C34","MRTUFEKUTABFFB-KGVSQERTSA-N",5467196,NA,"PDBC38600","648232","Present",NA,NA
+"38601","Methyl (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3Z,5E)-2-cyclohexyl-1-oxo-6-phenyl-2-benzazocine-5-carboxylate",NA,"COC(=O)C1=C(C2=CC=CC=C2C(=O)N(C=C1)C3CCCCC3)C4=CC=CC=C4","SJNBQJMZMKATKF-JEKUJBQYSA-N",5470138,NA,"PDBC38601","697939","Present",NA,NA
+"38602","Methyl (3aR,7aS)-3-oxo-3a,4,5,6,7,7a-hexahydroindene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3aR,7aS)-3-oxo-3a,4,5,6,7,7a-hexahydroindene-1-carboxylate",NA,"COC(=O)C1=CC(=O)C2C1CCCC2","AYJPOMUIJCKGMH-JGVFFNPUSA-N",359517,NA,"PDBC38602","620500","Present",NA,NA
+"38603","Methyl (3aS)-2-[(E)-2-(furan-3-yl)ethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3aS)-2-[(E)-2-(furan-3-yl)ethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-3-carboxylate",NA,"COC(=O)C1C2CCCN2OC1C=CC3=COC=C3","OPEZLSZOYZYDFA-SNRZTVSBSA-N",5387275,NA,"PDBC38603","622349","Present",NA,NA
+"38604","Methyl (4-(5,6,7,8-tetrahydro-1-naphthalenyl)-1-piperazinyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4-(5,6,7,8-tetrahydro-1-naphthalenyl)-1-piperazinyl)acetate",NA,"COC(=O)CN1CCN(CC1)C2=CC=CC3=C2CCCC3","GCAWKPPICTZOIY-UHFFFAOYSA-N",379451,NA,"PDBC38604","664000","Present",NA,NA
+"38605","Methyl (4-bromo-5-(4-bromophenyl)-3-oxo-2(3H)-furanylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, 2-[4-bromo-5-(4-bromophenyl)-3-oxo- 2-furan...",NA,"COC(=O)C=C1C(=O)C(=C(O1)C2=CC=C(C=C2)Br)Br","LCTJQDQRNLRXMB-RMKNXTFCSA-N",5468859,NA,"PDBC38605","677936","Present",NA,NA
+"38606","Methyl (4-cyano-5-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4-cyano-5-methyl-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-3-yl)acetate",NA,"CN1C2=CC=CC=C2N3C1=C(C(=CC3=O)CC(=O)OC)C#N","SRGYFFYBTQARRH-UHFFFAOYSA-N",364722,NA,"PDBC38606","631380","Present",NA,NA
+"38607","Methyl (4-methoxyanilino)(phenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4-methoxyanilino)(phenyl)acetate",NA,"COC1=CC=C(C=C1)NC(C2=CC=CC=C2)C(=O)OC","NVDUMYUAVVROOP-UHFFFAOYSA-N",353880,NA,"PDBC38607","603443","Present",NA,NA
+"38608","Methyl (4R)-3-propanoyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4R)-3-propanoyl-2-sulfanylidene-1,3-thiazolidine-4-carboxylate",NA,"CCC(=O)N1C(CSC1=S)C(=O)OC","RMOHWQKIEHHTGH-YFKPBYRVSA-N",359471,NA,"PDBC38608","620338","Present",NA,NA
+"38609","Methyl (4R,5S)-5-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4,5-dihydro-1H-pyrazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4R,5S)-5-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]-4,5-dihydro-1H-pyrazole-4-carboxylate",NA,"CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C4C(C=NN4)C(=O)OC)C","NSWMFSVTQOTTRV-VZAVHYRXSA-N",396841,NA,"PDBC38609","703865","Present",NA,NA
+"38610","Methyl (4S)-6-oxo-1,2,3,3a,4,5-hexahydroindene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4S)-6-oxo-1,2,3,3a,4,5-hexahydroindene-4-carboxylate",NA,"COC(=O)C1CC(=O)C=C2C1CCC2","QZBFZYWSQZYEQP-AXDSSHIGSA-N",359547,NA,"PDBC38610","620531","Present",NA,NA
+"38611","Methyl (4S,5R,9R,12S,13R)-10-hydroxy-5,9,12-trimethyl-16-oxatetracyclo[11.3.1.01,10.04,9]heptadec-14-ene-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4S,5R,9R,12S,13R)-10-hydroxy-5,9,12-trimethyl-16-oxatetracyclo[11.3.1.01,10.04,9]heptadec-14-ene-5-carboxylate",NA,"CC1CC2(C3(CCCC(C3CCC24CC1C=CO4)(C)C(=O)OC)C)O","IZTXURNBNMYWSO-CTXYIHRHSA-N",24204229,NA,"PDBC38611","731015","Present",NA,NA
+"38612","Methyl (4aR,5S,6R,8aS)-8a-(acetyloxymethyl)-5-[2-(furan-3-yl)-2-oxoethyl]-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4aR,5S,6R,8aS)-8a-(acetyloxymethyl)-5-[2-(furan-3-yl)-2-oxoethyl]-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylate",NA,"CC1CCC2(C(C1(C)CC(=O)C3=COC=C3)CCC=C2C(=O)OC)COC(=O)C","RORKGWQNRINLCW-JWDANJKUSA-N",390652,NA,"PDBC38612","688255","Present",NA,NA
+"38613","Methyl (4aR,7R)-3-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-(2-hydroxyethyl)-1-oxo-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4aR,7R)-3-[(4S)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-(2-hydroxyethyl)-1-oxo-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,"CC(CCCC1=C(C2CCC(N2C(=O)N1)CCO)C(=O)OC)O[Si](C)(C)C(C)(C)C","BLNMBDKGZWUKCH-LZLYRXPVSA-N",395097,NA,"PDBC38613","699389","Present",NA,NA
+"38614","Methyl (4aR,7R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4aR,7R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,"CC(C)(C)[Si](C)(C)OCCCCC1=C(C2CCC(N2C(=O)N1)CCOCC3=CC=CC=C3)C(=O)OC","NQQMJVVTJUIDGT-ISKFKSNPSA-N",395096,NA,"PDBC38614","699388","Present",NA,NA
+"38615","Methyl (4aS,6Z,8E,10R,12aR)-3-(furan-3-yl)-4a,10-dimethyl-1-oxo-4,5,10,11,12,12a-hexahydro-3H-cyclodeca[c]pyran-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4aS,6Z,8E,10R,12aR)-3-(furan-3-yl)-4a,10-dimethyl-1-oxo-4,5,10,11,12,12a-hexahydro-3H-cyclodeca[c]pyran-9-carboxylate",NA,"CC1CCC2C(=O)OC(CC2(CC=CC=C1C(=O)OC)C)C3=COC=C3","LDIUDVOTXDYTPG-MACIXYSOSA-N",5469449,NA,"PDBC38615","688242","Present",NA,NA
+"38616","Methyl (4aS,6Z,8E,12aR)-3-(furan-3-yl)-4a-methyl-10-methylidene-1-oxo-3,4,5,11,12,12a-hexahydrocyclodeca[c]pyran-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4aS,6Z,8E,12aR)-3-(furan-3-yl)-4a-methyl-10-methylidene-1-oxo-3,4,5,11,12,12a-hexahydrocyclodeca[c]pyran-9-carboxylate",NA,"CC12CC=CC=C(C(=C)CCC1C(=O)OC(C2)C3=COC=C3)C(=O)OC","LXCZVMFGPWLGIO-GYNZAUHWSA-N",5469450,NA,"PDBC38616","688243","Present",NA,NA
+"38617","Methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,1",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)C2C1)C)C(=O)OC)C","GALLZJXFYJWEIY-WENNTDIFSA-N",385520,NA,"PDBC38617","676771","Present",NA,NA
+"38618","Methyl (4aS,7R)-3-methyl-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4aS,7R)-3-methyl-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,"CC1=C(C2CCC(N2C(=O)N1)CCOCC3=CC=CC=C3)C(=O)OC","DJMSPYYIBXXFEH-CVEARBPZSA-N",395094,NA,"PDBC38618","699386","Present",NA,NA
+"38619","Methyl (4aS,7S)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4aS,7S)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-1-oxo-7-(2-phenylmethoxyethyl)-4a,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,"CC(C)(C)[Si](C)(C)OCCCCC1=C(C2CCC(N2C(=O)N1)CCOCC3=CC=CC=C3)C(=O)OC","NQQMJVVTJUIDGT-UPVQGACJSA-N",395095,NA,"PDBC38619","699387","Present",NA,NA
+"38620","Methyl (4aS,8aR)-2-[2-(1H-indol-3-yl)ethyl]-3,6-dioxo-4,4a,5,7,8,8a-hexahydro-1H-isoquinoline-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4aS,8aR)-2-[2-(1H-indol-3-yl)ethyl]-3,6-dioxo-4,4a,5,7,8,8a-hexahydro-1H-isoquinoline-4-carboxylate",NA,"COC(=O)C1C2CC(=O)CCC2CN(C1=O)CCC3=CNC4=CC=CC=C43","GYSBOPKNHJWPFD-HVPYXXPASA-N",359548,NA,"PDBC38620","620532","Present",NA,NA
+"38621","Methyl (5E)-5-(1-cyano-2-methoxy-2-oxoethylidene)-1-methylpyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (5E)-5-(1-cyano-2-methoxy-2-oxoethylidene)-1-methylpyrrolidine-2-carboxylate",NA,"CN1C(CCC1=C(C#N)C(=O)OC)C(=O)OC","AKMYQFYPOHFLIG-BQYQJAHWSA-N",5388402,NA,"PDBC38621","635585","Present",NA,NA
+"38622","Methyl (5S)-5-methyl-1,3-dioxo-2-phenyl-7,8-dihydro-6H-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(8s)-8-methyl-1,3-dioxo-2-phenyl-6,7-dihydro-5h-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylate",NA,"CC1(CCCN2N1C(=O)N(C2=O)C3=CC=CC=C3)C(=O)OC","ASZBTHSQDWJIMQ-HNNXBMFYSA-N",390197,NA,"PDBC38622","687358","Present",NA,NA
+"38623","Methyl (5S,8R)-1,3-dioxo-2-phenyl-8-prop-2-enyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (5S,8R)-1,3-dioxo-2-phenyl-8-prop-2-enyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate",NA,"COC(=O)C1C=CC(N2N1C(=O)N(C2=O)C3=CC=CC=C3)CC=C","DEVUMAHQGHZLAX-KGLIPLIRSA-N",390196,NA,"PDBC38623","687357","Present",NA,NA
+"38624","Methyl (5S,8S)-8-cyano-1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(5s,8s)-5-cyano-1,3-dioxo-2-phenyl-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-8-carboxylate",NA,"COC(=O)C1C=CC(N2N1C(=O)N(C2=O)C3=CC=CC=C3)C#N","QBCGTNVSOADNPU-RYUDHWBXSA-N",390195,NA,"PDBC38624","687356","Present",NA,NA
+"38625","Methyl (5Z)-5-(2-methoxy-2-oxoethylidene)pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (5Z)-5-(2-methoxy-2-oxoethylidene)pyrrolidine-2-carboxylate",NA,"COC(=O)C=C1CCC(N1)C(=O)OC","YAMGJOYEEDDEPF-WAYWQWQTSA-N",5388401,NA,"PDBC38625","635584","Present",NA,NA
+"38626","Methyl (6R)-2-[2-(benzenesulfonyl)prop-2-enyl]-6-(1H-indol-2-yl)-7,8-dimethoxy-2-azabicyclo[2.2.2]octane-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (6R)-2-[2-(benzenesulfonyl)prop-2-enyl]-6-(1H-indol-2-yl)-7,8-dimethoxy-2-azabicyclo[2.2.2]octane-6-carboxylate",NA,"COC1C2CC(C(C1OC)N(C2)CC(=C)S(=O)(=O)C3=CC=CC=C3)(C4=CC5=CC=CC=C5N4)C(=O)OC","XGDXQGUYPMJHTG-JCWAUGAVSA-N",397004,NA,"PDBC38626","704241","Present",NA,NA
+"38627","Methyl (6R)-2-acetyl-6-[1-(benzenesulfonyl)indol-2-yl]-8-oxo-2-azabicyclo[2.2.2]octane-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (6R)-2-acetyl-6-[1-(benzenesulfonyl)indol-2-yl]-8-oxo-2-azabicyclo[2.2.2]octane-6-carboxylate",NA,"CC(=O)N1CC2CC(C1CC2=O)(C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C(=O)OC","CCBTYXINQAJPRZ-WWYLULBNSA-N",396982,NA,"PDBC38627","704219","Present",NA,NA
+"38628","Methyl (6R)-6-(1H-indol-2-yl)-8,8-dimethoxy-2-[2-[methoxy(methyl)amino]-2-oxoethyl]-2-azabicyclo[2.2.2]octane-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (6R)-6-(1H-indol-2-yl)-8,8-dimethoxy-2-[2-[methoxy(methyl)amino]-2-oxoethyl]-2-azabicyclo[2.2.2]octane-6-carboxylate",NA,"CN(C(=O)CN1CC2CC(C1CC2(OC)OC)(C3=CC4=CC=CC=C4N3)C(=O)OC)OC","TWGGCRSMFQEWKK-NZBFNNPHSA-N",397000,NA,"PDBC38628","704237","Present",NA,NA
+"38629","Methyl (6R)-6-[1-(benzenesulfonyl)indol-2-yl]-2-azabicyclo[2.2.2]octane-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(6r)-6-[1-(benzenesulfonyl)indol-2-yl]-7-azabicyclo[2.2.2]octane-6-carboxylate",NA,"COC(=O)C1(CC2CCC1NC2)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5","LIRHMVXWHZMETN-XXLUKPGQSA-N",397001,NA,"PDBC38629","704238","Present",NA,NA
+"38630","Methyl (6R,10S,13S)-2,6,12-trimethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-ene-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (6R,10S,13S)-2,6,12-trimethyltetracyclo[11.2.1.01,10.02,7]hexadec-11-ene-6-carboxylate",NA,"CC1=CC2CCC3C(CCCC3(C24CCC1C4)C)(C)C(=O)OC","UPOLHSZJUNOVQW-ZDGHOCPKSA-N",5459207,NA,"PDBC38630","646017","Present",NA,NA
+"38631","Methyl (7R)-8-methyl-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (7R)-8-methyl-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadeca-4,9-diene-14,1'-cyclohexane]-7-carboxylate",NA,"CC1C=C2C(C3C(O2)OC4(O3)CCCCC4)C5C1(C(=O)C=CC5=O)C(=O)OC","UEKFZHGANHISGR-FRTMKMQLSA-N",367563,NA,"PDBC38631","637396","Present",NA,NA
+"38632","Methyl (7R,12R,16R)-8-methyl-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (7R,12R,16R)-8-methyl-3,6-dioxospiro[11,13,15-trioxatetracyclo[8.6.0.02,7.012,16]hexadec-9-ene-14,1'-cyclohexane]-7-carboxylate",NA,"CC1C=C2C(C3C(O2)OC4(O3)CCCCC4)C5C1(C(=O)CCC5=O)C(=O)OC","WKIWXIYYKPWPBT-MTBKYURYSA-N",367564,NA,"PDBC38632","637397","Present",NA,NA
+"38633","Methyl (8R,9R)-8-(2-methoxy-2-oxoethyl)-9-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (8R,9R)-8-(2-methoxy-2-oxoethyl)-9-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate",NA,"CC1(C(CCC12OCCO2)CC(=O)OC)C(=O)OC","PHRYXGMMIMYDCT-SKDRFNHKSA-N",6711337,NA,"PDBC38633","620041","Present",NA,NA
+"38634","Methyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (8S)-5-hydroxy-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-6-carboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=C(C3=CC4=C(C=C23)OCO4)O)C(=O)OC","SFGVSZCPDPXCTL-LBPRGKRZSA-N",54676212,NA,"PDBC38634","619217","Present",NA,NA
+"38635","Methyl (8S)-8-acetamido-5-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (8S)-8-acetamido-5-hydroxy-13,14,15-trimethoxytricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-4-carboxylate",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC(=C(C=C13)O)C(=O)OC)OC)OC)OC","VOKPQOKKNBHZIX-INIZCTEOSA-N",395871,NA,"PDBC38635","700912","Present",NA,NA
+"38636","Methyl (9-oxo-9H-naphtho[1',2':4,5][1,3]thiazolo[3,2-b][1,2,4]triazin-10-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(14-oxo-11-thia-13,16,17-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2,4,6,8,12,15-heptaen-15-yl)acetate",NA,"COC(=O)CC1=NN2C3=C(C=CC4=CC=CC=C43)SC2=NC1=O","QRPIYPKDMDQFFZ-UHFFFAOYSA-N",365000,NA,"PDBC38636","631909","Present",NA,NA
+"38637","Methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(4-nitrophenyl)diazenyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-[(4-nitrophenyl)diazenyl]-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)N=NC6=CC=C(C=C6)[N+](=O)[O-])OC)C","DMUYZDCAUJJGNI-PAVNEANLSA-N",400598,NA,"PDBC38637","712720","Present",NA,NA
+"38638","Methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-phenyldiazenyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-8-methyl-4-phenyldiazenyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)N=NC6=CC=CC=C6)OC)C","FHCOXVNPOGUPLQ-PAVNEANLSA-N",400597,NA,"PDBC38638","712719","Present",NA,NA
+"38639","Methyl (E)(1R*,2R*)-2-{2-[2-(3-fluorophenyl)cyclopropyl]phenyl}-3-methoxypropenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)(1R*,2R*)-2-{2-[2-(3-fluorophenyl)cyclopropyl]...",NA,"COC=C(C1=CC=CC=C1C2CC2C3=CC(=CC=C3)F)C(=O)OC","ANIZTFQAKSBXCA-BRVJNUKASA-N",5472688,NA,"PDBC38639","720768","Present",NA,NA
+"38640","Methyl (E)(1R*,2R*)-2-{2-[2-(4-methoxyphenyl)cyclopropyl] phenyl}-3-methoxypropenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)(1R*,2R*)-2-{2-[2-(4-methoxyphenyl)cyclopropyl...",NA,"COC=C(C1=CC=CC=C1C2CC2C3=CC=C(C=C3)OC)C(=O)OC","GRBBSRKBFCGPHD-ZWWAOTTBSA-N",5472687,NA,"PDBC38640","720767","Present",NA,NA
+"38641","Methyl (E)(1R*,2R*)-2-{2-[2-(phenyl)cyclopropyl]phenyl}-3-methoxypropenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)(1R*,2R*)-2-{2-[2-(phenyl)cyclopropyl]phenyl}-...",NA,"COC=C(C1=CC=CC=C1C2CC2C3=CC=CC=C3)C(=O)OC","RMOJPFZIQPMEHC-YHKHTGOESA-N",5472686,NA,"PDBC38641","720766","Present",NA,NA
+"38642","Methyl (E)-2-[2-(pentafluorophenoxy)]phenyl-3-methoxypropenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-2-[2-(pentafluorophenoxy)]phenyl-3-methoxypro...",NA,"COC=C(C1=CC=CC=C1OC2=C(C(=C(C(=C2F)F)F)F)F)C(=O)OC","LLJKQUFGOLIUJK-VQHVLOKHSA-N",5472621,NA,"PDBC38642","720482","Present",NA,NA
+"38643","Methyl (E)-2-acetyl-5-(4-chlorophenyl)hex-4-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-2-acetyl-5-(4-chlorophenyl)hex-4-enoate",NA,"CC(=CCC(C(=O)C)C(=O)OC)C1=CC=C(C=C1)Cl","VAKUUPTXOJWYOT-ONNFQVAWSA-N",5387098,NA,"PDBC38643","620324","Present",NA,NA
+"38644","Methyl (E)-2-acetyl-5-phenylhex-4-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-2-acetyl-5-phenylhex-4-enoate",NA,"CC(=CCC(C(=O)C)C(=O)OC)C1=CC=CC=C1","MNJUDMANVVMTDA-PKNBQFBNSA-N",5387097,NA,"PDBC38644","620323","Present",NA,NA
+"38645","Methyl (E)-2-diethoxyphosphoryl-3-(2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-2-diethoxyphosphoryl-3-(2-thioxo-3H-benzimidazol-1-yl)prop-2-enoate",NA,"CCOP(=O)(C(=CN1C2=CC=CC=C2NC1=S)C(=O)OC)OCC","HNJUDWYNIHDMGL-JLHYYAGUSA-N",3004575,NA,"PDBC38645","658486","Present",NA,NA
+"38646","Methyl (E)-2-diethoxyphosphoryl-3-(pyridine-4-carbothioylamino)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-2-diethoxyphosphoryl-3-(pyridine-4-carbothioylamino)prop-2-enoate",NA,"CCOP(=O)(C(=CNC(=S)C1=CC=NC=C1)C(=O)OC)OCC","FVTWBGSNHOLSJD-ZRDIBKRKSA-N",3000995,NA,"PDBC38646","658304","Present",NA,NA
+"38647","Methyl (E)-3-(1',2'-dimethylspiro[1,3-oxathiolane-2,5'-bicyclo[4.1.0]heptane]-7'-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-(1',2'-dimethylspiro[1,3-oxathiolane-2,5'-bicyclo[4.1.0]heptane]-7'-yl)prop-2-enoate",NA,"CC1CCC2(C3C1(C3C=CC(=O)OC)C)OCCS2","KEMPVPODOJBOPZ-SNAWJCMRSA-N",5467209,NA,"PDBC38647","648417","Present",NA,NA
+"38648","Methyl (E)-3-(2,2'-spirobi[indane]-5'-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-(2,2'-spirobi[1,3-dihydroindene]-5-yl)prop-2-enoate",NA,"COC(=O)C=CC1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1","LMFDBWKYNJXUEE-VQHVLOKHSA-N",5926262,NA,"PDBC38648","670415","Present",NA,NA
+"38649","Methyl (E)-3-(3-methyl-2-oxo-oxazolo[4,5-b]pyridin-6-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-(3-methyl-2-oxo-oxazolo[4,5-b]pyridin-6-yl)prop-2-enoate",NA,"CN1C2=C(C=C(C=N2)C=CC(=O)OC)OC1=O","NBNIUZXUPZNTET-ONEGZZNKSA-N",5470016,NA,"PDBC38649","696463","Present",NA,NA
+"38650","Methyl (E)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)Methyl-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)...",NA,"COC1=CC=C(C=C1)C=C(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)OC","NIBDHUAZTRXCIS-MHWRWJLKSA-N",5388752,NA,"PDBC38650","638407","Present",NA,NA
+"38651","Methyl (E)-3-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-yl)prop-2-enoate",NA,"COC(=O)C=CC1=CC2=C(CC3(C2)CC4=C(C3=O)C=C5CCCC5=C4)C=C1","WHOVBTFIWPTXGD-SOFGYWHQSA-N",5470022,NA,"PDBC38651","696656","Present",NA,NA
+"38652","Methyl (E)-3-[(2S,4E)-2-(hydroxymethyl)-4-[(Z)-octadec-9-enylidene]-5-oxooxolan-2-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-[(2S,4E)-2-(hydroxymethyl)-4-[(Z)-octadec-9-enylidene]-5-oxooxolan-2-yl]prop-2-enoate",NA,"CCCCCCCCC=CCCCCCCCC=C1CC(OC1=O)(CO)C=CC(=O)OC","YUTZKTSDQCEUQO-CYGGBZKNSA-N",5470636,NA,"PDBC38652","703764","Present",NA,NA
+"38653","Methyl (E)-3-[2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]phenyl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-[2-[[methyl-(4-methylphenyl)-oxo-lambda6-sulfanylidene]amino]phenyl]prop-2-enoate",NA,"CC1=CC=C(C=C1)S(=NC2=CC=CC=C2C=CC(=O)OC)(=O)C","HXCNQNHQQXBSSI-UQNNOOFXSA-N",24202623,NA,"PDBC38653","716715","Present",NA,NA
+"38654","Methyl (E)-3-indan-5-ylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-indan-5-ylprop-2-enoate",NA,"COC(=O)C=CC1=CC2=C(CCC2)C=C1","DMJICDVHTUMQHN-SOFGYWHQSA-N",5923570,NA,"PDBC38654","670460","Present",NA,NA
+"38655","Methyl (E)-4-[(4-oxo-6-bicyclo[3.1.0]hexanyl)methoxy]but-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-4-[(4-oxo-6-bicyclo[3.1.0]hexanyl)methoxy]but-2-enoate",NA,"COC(=O)C=CCOCC1C2C1C(=O)CC2","VLNKEZYMKJSLPJ-NSCUHMNNSA-N",5469499,NA,"PDBC38655","689218","Present",NA,NA
+"38656","Methyl (E)-7-[2-[(E)-7-methoxy-7-oxo-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-7-[2-[(E)-7-methoxy-7-oxo-hept-5-en-1-ynyl]phenyl]hept-2-en-6-ynoate",NA,"COC(=O)C=CCCC#CC1=CC=CC=C1C#CCCC=CC(=O)OC","AKYDCTYGZABMQP-BEQMOXJMSA-N",6182119,NA,"PDBC38656","673597","Present",NA,NA
+"38657","Methyl (NE,4Z)-N-[(2,4-dichlorophenyl)methylidene]pyridine-4-carbohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (NE,4Z)-N-[(2,4-dichlorophenyl)methylidene]pyridine-4-carbohydrazonate",NA,"COC(=NN=CC1=C(C=C(C=C1)Cl)Cl)C2=CC=NC=C2","RKNUAIKYGSXBOM-UPVQPNEJSA-N",9555924,NA,"PDBC38657","655511","Present",NA,NA
+"38658","Methyl (NE,4Z)-N-[(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (NE,4Z)-N-[(2,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate",NA,"COC1=CC(=C(C=C1)C=NN=C(C2=CC=NC=C2)OC)OC","WITGRXOIIKZWJA-DZKKHAQYSA-N",9555926,NA,"PDBC38658","655513","Present",NA,NA
+"38659","Methyl (NE,4Z)-N-[(2,5-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (NE,4Z)-N-[(2,5-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate",NA,"COC1=CC(=C(C=C1)OC)C=NN=C(C2=CC=NC=C2)OC","XSXSVERHJYPHJM-DZKKHAQYSA-N",9555927,NA,"PDBC38659","655514","Present",NA,NA
+"38660","Methyl (NE,4Z)-N-[(2-fluorophenyl)methylene]pyridine-4-carbohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (NE,4Z)-N-[(2-fluorophenyl)methylene]pyridine-4-carbohydrazonate",NA,"COC(=NN=CC1=CC=CC=C1F)C2=CC=NC=C2","PUMSNFUIIISMGR-CEKGWZEMSA-N",9555919,NA,"PDBC38660","655506","Present",NA,NA
+"38661","Methyl (NE,4Z)-N-[(3,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (NE,4Z)-N-[(3,4-dimethoxyphenyl)methylidene]pyridine-4-carbohydrazonate",NA,"COC1=C(C=C(C=C1)C=NN=C(C2=CC=NC=C2)OC)OC","DBCYSPABLGQQJE-DZKKHAQYSA-N",9555928,NA,"PDBC38661","655515","Present",NA,NA
+"38662","Methyl (NE,4Z)-N-[(3-chlorophenyl)methylene]pyridine-4-carbohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (NE,4Z)-N-[(3-chlorophenyl)methylene]pyridine-4-carbohydrazonate",NA,"COC(=NN=CC1=CC(=CC=C1)Cl)C2=CC=NC=C2","QBMOSBOVRRXVHY-CEKGWZEMSA-N",9555920,NA,"PDBC38662","655507","Present",NA,NA
+"38663","Methyl (NE,4Z)-N-[(4-chlorophenyl)methylene]pyridine-4-carbohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (NE,4Z)-N-[(4-chlorophenyl)methylene]pyridine-4-carbohydrazonate",NA,"COC(=NN=CC1=CC=C(C=C1)Cl)C2=CC=NC=C2","HCYTWDDFZWJQLP-CEKGWZEMSA-N",9555921,NA,"PDBC38663","655508","Present",NA,NA
+"38664","Methyl (NE,4Z)-N-[[4-(trifluoromethyl)phenyl]methylidene]pyridine-4-carbohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (NE,4Z)-N-[[4-(trifluoromethyl)phenyl]methylidene]pyridine-4-carbohydrazonate",NA,"COC(=NN=CC1=CC=C(C=C1)C(F)(F)F)C2=CC=NC=C2","VPTSOWHPWQWQPH-XAMHROORSA-N",9555923,NA,"PDBC38664","655510","Present",NA,NA
+"38665","Methyl (NZ,4Z)-N-benzylidenepyridine-4-carbohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655505",NA,"COC(=NN=CC1=CC=CC=C1)C2=CC=NC=C2","WFZRQYYNAWGLDV-MJZIEMGNSA-N",5833464,NA,"PDBC38665","655505","Present",NA,NA
+"38666","Methyl (Z)-2-[4-[tert-butyl(dimethyl)silyl]oxybutanoyl]tetradec-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-and (Z)-2-[4(tert-butyldimethylsilyl)oxy]-1-o...",NA,"CCCCCCCCCCCC=C(C(=O)CCCO[Si](C)(C)C(C)(C)C)C(=O)OC","WEMWJUBBKZCHBE-QOCHGBHMSA-N",5468669,NA,"PDBC38666","674059","Present",NA,NA
+"38667","Methyl (Z)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-2-cyano-3-[3-(furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]prop-2-enoate",NA,"COC(=O)C(=CN1CCN(C1=S)C(=O)C2=CC=CO2)C#N","IOBKECCKVFEPRK-HJWRWDBZSA-N",24203786,NA,"PDBC38667","729518","Present",NA,NA
+"38668","Methyl (Z)-2-diethoxyphosphoryl-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-2-diethoxyphosphoryl-3-(4-oxo-2-thioxo-pyrimidin-1-yl)prop-2-enoate",NA,"CCOP(=O)(C(=CN1C=CC(=O)NC1=S)C(=O)OC)OCC","SRDJUQZKMPKQOH-HJWRWDBZSA-N",3004592,NA,"PDBC38668","658509","Present",NA,NA
+"38669","Methyl (Z)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilyloxypent-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-2-methyl-5-(2-methyl-1,3-dioxolan-2-yl)-3-trimethylsilyloxypent-2-enoate",NA,"CC(=C(CCC1(OCCO1)C)O[Si](C)(C)C)C(=O)OC","MTGBZTUPUUIXSN-QXMHVHEDSA-N",5387113,NA,"PDBC38669","620507","Present",NA,NA
+"38670","Methyl (Z)-3-(3,5-dioxo-1,2,4-triazin-2-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-(3,5-dioxo-1,2,4-triazin-2-yl)prop-2-enoate",NA,"COC(=O)C=CN1C(=O)NC(=O)C=N1","AHUQDSKNXLAQJN-IHWYPQMZSA-N",54608859,NA,"PDBC38670","678964","Present",NA,NA
+"38671","Methyl (Z)-3-(5-bromoindol-3-yl)-2-bromoacrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-(5-bromoindol-3-yl)-2-bromoacrylate",NA,"COC(=O)C(=CC1=CNC2=C1C=C(C=C2)Br)Br","JTZWNQCPSRJHQQ-WMZJFQQLSA-N",45028205,NA,"PDBC38671","741638","Present",NA,NA
+"38672","Methyl (Z)-3-(6-bromo-3,5-dioxo-1,2,4-triazin-2-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-(6-bromo-3,5-dioxo-1,2,4-triazin-2-yl)prop-2-enoate",NA,"COC(=O)C=CN1C(=O)NC(=O)C(=N1)Br","DUFGWSDJDNSRNI-IHWYPQMZSA-N",54601773,NA,"PDBC38672","678965","Present",NA,NA
+"38673","Methyl (Z)-3-(6-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-(6-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enoate",NA,"CC1=CC(=O)NC(=O)N1C=CC(=O)OC","FDCGQGOKMDOZFM-ARJAWSKDSA-N",5469128,NA,"PDBC38673","683554","Present",NA,NA
+"38674","Methyl (Z)-3-(benzotriazol-2-yl)but-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-(benzotriazol-2-yl)but-2-enoate",NA,"CC(=CC(=O)OC)N1N=C2C=CC=CC2=N1","RQRPKFXOAWHFAH-FPLPWBNLSA-N",5469193,NA,"PDBC38674","684116","Present",NA,NA
+"38675","Methyl (Z)-3-[2-[(2,4-dimethoxyphenyl)methyl-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]amino]-2-oxoethyl]hex-4-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-[2-[(2,4-dimethoxyphenyl)methyl-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethyl]amino]-2-oxoethyl]hex-4-enoate",NA,"CC=CC(CC(=O)N(CCC1CN(C2=CC=CC=C12)S(=O)(=O)C(F)(F)F)CC3=C(C=C(C=C3)OC)OC)CC(=O)OC","BLMPQFWOHMUDNE-YVMONPNESA-N",5470067,NA,"PDBC38675","697249","Present",NA,NA
+"38676","Methyl (Z)-3-[2-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethylamino]-2-oxoethyl]hex-4-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-[2-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethylamino]-2-oxoethyl]hex-4-enoate",NA,"CC=CC(CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)C3=CC=CC=C3)CC(=O)OC","BVJFCCNOJBMUCX-OQFOIZHKSA-N",5470059,NA,"PDBC38676","697227","Present",NA,NA
+"38677","Methyl (Z)-3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]hex-4-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]hex-4-enoate",NA,"CC=CC(CC(=O)NCCC1=CNC2=CC=CC=C21)CC(=O)OC","ANGOVAYFFVSBME-UTCJRWHESA-N",5470057,NA,"PDBC38677","697224","Present",NA,NA
+"38678","Methyl (Z)-3-[2-[2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethylamino]-2-oxoethyl]hex-4-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-[2-[2-[1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]ethylamino]-2-oxoethyl]hex-4-enoate",NA,"CC=CC(CC(=O)NCCC1CN(C2=CC=CC=C12)S(=O)(=O)C3=CC=C(C=C3)C)CC(=O)OC","VORYGQGILYLDSL-DAXSKMNVSA-N",5470062,NA,"PDBC38678","697236","Present",NA,NA
+"38679","Methyl (Z)-3-[2-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-oxoethyl]hex-4-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-[2-[[2-(1H-indol-3-yl)-2-oxoethyl]amino]-2-oxoethyl]hex-4-enoate",NA,"CC=CC(CC(=O)NCC(=O)C1=CNC2=CC=CC=C21)CC(=O)OC","UVTWAMSQYSYUQT-UTCJRWHESA-N",5470058,NA,"PDBC38679","697225","Present",NA,NA
+"38680","Methyl (Z)-3-[2-oxo-2-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethylamino]ethyl]hex-4-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-[2-oxo-2-[2-[1-(trifluoromethylsulfonyl)-2,3-dihydroindol-3-yl]ethylamino]ethyl]hex-4-enoate",NA,"CC=CC(CC(=O)NCCC1CN(C2=CC=CC=C12)S(=O)(=O)C(F)(F)F)CC(=O)OC","HCSOIGCKTKAPKO-UTCJRWHESA-N",5470063,NA,"PDBC38680","697239","Present",NA,NA
+"38681","Methyl (Z)-3-[4-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-2-sulfanylidenepyrimidin-1-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-3-[4-[(Z)-3-methoxy-3-oxoprop-1-enyl]sulfanyl-2-sulfanylidenepyrimidin-1-yl]prop-2-enoate",NA,"COC(=O)C=CN1C=CC(=NC1=S)SC=CC(=O)OC","SCJDQXFLCJMGRE-IUNAMMOKSA-N",54602168,NA,"PDBC38681","678966","Present",NA,NA
+"38682","Methyl (Z)-4,4-dicyano-4-[(4-methoxyphenyl)methylideneamino]but-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-4,4-dicyano-4-[(4-methoxyphenyl)methylideneamino]but-2-enoate",NA,"COC1=CC=C(C=C1)C=NC(C=CC(=O)OC)(C#N)C#N","ZDMDZPQMOOBVIE-HDKKCLFBSA-N",5471062,NA,"PDBC38682","708046","Present",NA,NA
+"38683","Methyl (Z)-4,4-dicyano-4-[(4-methylphenyl)methylideneamino]but-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-4,4-dicyano-4-[(4-methylphenyl)methylideneamino]but-2-enoate",NA,"CC1=CC=C(C=C1)C=NC(C=CC(=O)OC)(C#N)C#N","LYVHRGNWZYNQDU-HDKKCLFBSA-N",5471061,NA,"PDBC38683","708045","Present",NA,NA
+"38684","Methyl (Z)-4-(benzylideneamino)-4,4-dicyanobut-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-4-(benzylideneamino)-4,4-dicyanobut-2-enoate",NA,"COC(=O)C=CC(C#N)(C#N)N=CC1=CC=CC=C1","BNKLTFHOSGNCPM-ZYHQWUINSA-N",5471060,NA,"PDBC38684","708044","Present",NA,NA
+"38685","Methyl (Z)-4-[[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]amino]but-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (Z)-4-[[1-[2-(diethylamino)ethyl]-2-[(4-ethoxyphenyl)methyl]benzimidazol-5-yl]amino]but-2-enoate",NA,"CCN(CC)CCN1C2=C(C=C(C=C2)NCC=CC(=O)OC)N=C1CC3=CC=C(C=C3)OCC","GPXNTZOSFUIRMY-HJWRWDBZSA-N",5471055,NA,"PDBC38685","707841","Present",NA,NA
+"38686","Methyl (benzoylamino)(2-furyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (benzoylamino)(2-furyl)acetate",NA,"COC(=O)C(C1=CC=CO1)NC(=O)C2=CC=CC=C2","ROGOXUBLRMYRIL-UHFFFAOYSA-N",375599,NA,"PDBC38686","655423","Present",NA,NA
+"38687","Methyl (phenylthio)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q63409774",NA,"COC(=O)CSC1=CC=CC=C1","MUNSXQQODXYRKI-UHFFFAOYSA-N",123375,NA,"PDBC38687","620044","Present",NA,NA
+"38688","Methyl 1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,"COC(=O)C1CC2=C(C1)C=C3CCCC3=C2","YBIYVDBNDKGACL-UHFFFAOYSA-N",385664,NA,"PDBC38688","677010","Present",NA,NA
+"38689","Methyl 1,2,3-thiadiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C4H4N2O2S",NA,"COC(=O)C1=CSN=N1","RRPSHAIKHFOJOS-UHFFFAOYSA-N",373777,NA,"PDBC38689","650741","Present",NA,NA
+"38690","Methyl 1,3-Dimethyl-5-oxo-6-phenyl-5H-pyrrolizine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1,3-Dimethyl-5-oxo-6-phenyl-5H-pyrrolizine-2-carb...",NA,"CC1=C2C=C(C(=O)N2C(=C1C(=O)OC)C)C3=CC=CC=C3","GBMHDLBRGXSVSK-UHFFFAOYSA-N",11403273,NA,"PDBC38690","746993","Present",NA,NA
+"38691","Methyl 1,3-bis(naphthalen-2-ylmethyl)benzimidazol-1-ium-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(methoxycarbonyl)-1,3-bis(naphthalen-2-ylmethyl)benzo[...",NA,"COC(=O)C1=CC2=C(C=C1)[N+](=CN2CC3=CC4=CC=CC=C4C=C3)CC5=CC6=CC=CC=C6C=C5","DHMORDPEUAVKCJ-UHFFFAOYSA-N",134155213,NA,"PDBC38691","791488","Present",NA,NA
+"38692","Methyl 1,3-dimethylaziridine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1,3-dimethylaziridine-2-carboxylate",NA,"CC1C(N1C)C(=O)OC","RQTKQDQOBBACGS-UHFFFAOYSA-N",358993,NA,"PDBC38692","619201","Present",NA,NA
+"38693","Methyl 1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1,4,6,7,12,12b-hexahydroindolo[2,3-a]quinolizine-3-carboxylate",NA,"COC(=O)C1=CCC2C3=C(CCN2C1)C4=CC=CC=C4N3","KPCVECZIWABMFF-UHFFFAOYSA-N",372785,NA,"PDBC38693","648409","Present",NA,NA
+"38694","Methyl 1,4-dioxaspiro[4.5]decane-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DYHGYAOSFBZYRW-UHFFFAOYSA-N",NA,"COC(=O)C1CCCC2(C1)OCCO2","DYHGYAOSFBZYRW-UHFFFAOYSA-N",372311,NA,"PDBC38694","647370","Present",NA,NA
+"38695","Methyl 1,5,11-trimethyl-1,6-dihydropyrido[4,3-b]carbazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1,5,11-trimethyl-1,6-dihydro-2H-pyrido[4,3-b]carbazole-2-carboxylate",NA,"CC1C2=C(C3=C(C(=C2C=CN1C(=O)OC)C)NC4=CC=CC=C43)C","ACLHFPGAOVTLOA-UHFFFAOYSA-N",370278,NA,"PDBC38695","643124","Present",NA,NA
+"38696","Methyl 1,5-dithiaspiro[5.11]heptadecane-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1,5-dithiaspiro[5.11]heptadecane-7-carboxylate",NA,"COC(=O)C1CCCCCCCCCCC12SCCCS2","VZODJMCAGIPYGN-UHFFFAOYSA-N",380708,NA,"PDBC38696","666414","Present",NA,NA
+"38697","Methyl 1-(((benzyloxy)carbonyl)amino)-2-(1H-indol-3-yl)ethyl(methyl)phosphinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(((benzyloxy)carbonyl)amino)-2-(1H-indol-3-yl)ethyl(methyl)phosphinate",NA,"COP(=O)(C)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3","ZYBIYCYBPVQLCJ-UHFFFAOYSA-N",382174,NA,"PDBC38697","669633","Present",NA,NA
+"38698","Methyl 1-((2-(bis(tert-butoxycarbonyl)amino)-3-phenylpropanoyl)amino)cyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-((2-(bis(tert-butoxycarbonyl)amino)-3-phenylpropanoyl)amino)cyclopentanecarboxylate",NA,"CC(C)(C)OC(=O)N(C(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)OC)C(=O)OC(C)(C)C","FOHSGAMIEFLXMI-UHFFFAOYSA-N",383840,NA,"PDBC38698","672456","Present",NA,NA
+"38699","Methyl 1-((4-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoyl)amino)cycloheptanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-((4-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoyl)amino)cycloheptanecarboxylate",NA,"COC(=O)C1(CCCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","MXPRDGMULCNPOW-UHFFFAOYSA-N",382347,NA,"PDBC38699","669816","Present",NA,NA
+"38700","Methyl 1-((4-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-((4-(benzyloxy)-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate",NA,"CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC2(CC2)C(=O)OC","UWMNVBLVCRDVBN-UHFFFAOYSA-N",382318,NA,"PDBC38700","669776","Present",NA,NA
+"38701","Methyl 1-((4-chlorophenyl)(imino)methyl)-5-ethyl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-((4-chlorophenyl)(imino)methyl)-5-ethyl-1H-pyrrole-3-carboxylate",NA,"CCC1=CC(=CN1C(=N)C2=CC=C(C=C2)Cl)C(=O)OC","OBUPZQNUNYQMCM-UHFFFAOYSA-N",362250,NA,"PDBC38701","625854","Present",NA,NA
+"38702","Methyl 1-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)cyclopropanecarboxylate",NA,"CC(C)(C)OC(=O)CC(C(=O)NC1(CC1)C(=O)OC)NC(=O)OC(C)(C)C","LWGLVPIXTYTBQW-UHFFFAOYSA-N",382348,NA,"PDBC38702","669817","Present",NA,NA
+"38703","Methyl 1-((ethoxycarbonyl)amino)-2,5-dimethyl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-((ethoxycarbonyl)amino)-2,5-dimethyl-1H-pyrrole-3-carboxylate",NA,"CCOC(=O)NN1C(=CC(=C1C)C(=O)OC)C","MLWABOYPGMINGT-UHFFFAOYSA-N",371430,NA,"PDBC38703","645650","Present",NA,NA
+"38704","Methyl 1-(1,3-benzodioxol-5-yl(3,4,5-trimethoxyphenyl)methyl)-5-oxo-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(1,3-benzodioxol-5-yl(3,4,5-trimethoxyphenyl)methyl)-5-oxo-2-pyrrolidinecarboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)N4C(CCC4=O)C(=O)OC","DKDFQLPOZLZRJO-UHFFFAOYSA-N",384216,NA,"PDBC38704","673621","Present",NA,NA
+"38705","Methyl 1-(2,4-dichloroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(2,4-dichloroanilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethylcarbamate",NA,"COC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C=C(C=C1)Cl)Cl","PCPBBUYIFYYHHP-UHFFFAOYSA-N",383583,NA,"PDBC38705","672001","Present",NA,NA
+"38706","Methyl 1-(2-((tert-butoxycarbonyl)amino)-3-(1-((4-methylphenyl)sulfonyl)-1H-imidazol-4-yl)propanoyl)-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[3-[1-(4-methylphenyl)sulfonylimidazol-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=C2)CC(C(=O)N3CCCC3C(=O)OC)NC(=O)OC(C)(C)C","ZEVDQUKAHQXLHH-UHFFFAOYSA-N",381636,NA,"PDBC38706","668458","Present",NA,NA
+"38707","Methyl 1-(2-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(2-hydroxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate",NA,"COC(=O)C1CC2=C(C(N1)C3=CC=CC=C3O)NC4=CC=CC=C24","XAVCGIXOYOYBPX-UHFFFAOYSA-N",363930,NA,"PDBC38707","629418","Present",NA,NA
+"38708","Methyl 1-(2-methoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(2-methoxycarbonyl-3,4-dihydro-2H-pyrrol-5-yl)-5-oxopyrrolidine-2-carboxylate",NA,"COC(=O)C1CCC(=N1)N2C(CCC2=O)C(=O)OC","DWAVYBBZNVKVJT-UHFFFAOYSA-N",367279,NA,"PDBC38708","636829","Present",NA,NA
+"38709","Methyl 1-(2-phenylethyl)-4,5-dihydro-1H-imidazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(2-phenylethyl)-4,5-dihydro-1H-imidazole-5-carboxylate",NA,"COC(=O)C1CN=CN1CCC2=CC=CC=C2","IYYQUXRQRNHSEK-UHFFFAOYSA-N",379615,NA,"PDBC38709","664322","Present",NA,NA
+"38710","Methyl 1-(3-(hydroxymethyl)quinolin-2-yl)-9H-pyrido[3,4-b]indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 1-(3-(hydroxymethyl)quinolin-2-yl)-9H-pyrido[3,4-...",NA,"COC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5C=C4CO","QFIHNMXPRNRZBI-UHFFFAOYSA-N",23584224,NA,"PDBC38710","742033","Present",NA,NA
+"38711","Methyl 1-(3-chloro-2-hydroxypropyl)triazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(3-chloro-2-hydroxypropyl)-1h-1,2,3-triazole-4-carboxylate",NA,"COC(=O)C1=CN(N=N1)CC(CCl)O","BBUPIPOMXSCXFS-UHFFFAOYSA-N",386535,NA,"PDBC38711","678967","Present",NA,NA
+"38712","Methyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(3-ethoxy-3-oxopropyl)-2-oxocyclopentanecarboxylate",NA,"CCOC(=O)CCC1(CCCC1=O)C(=O)OC","USAFHQIQHMLVNP-UHFFFAOYSA-N",371782,NA,"PDBC38712","646226","Present",NA,NA
+"38713","Methyl 1-(4-[(11aR)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxybutyl)-2-(1-methyl-1H-3-indolyl)-1H-benzo[d]imidazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 1-(4-[(11aR)-7-methoxy-5-oxo-2,3,5,11a-tetrahydro...",NA,"CN1C2=CC=CC=C2C=C1C3=NC4=C(N3CCCCOC5=C(C=C6C(=C5)N=CC7CCCN7C6=O)OC)C=C(C=C4)C(=O)OC","ZUCUXVICLPAASK-DEOSSOPVSA-N",45028743,NA,"PDBC38713","744020","Present",NA,NA
+"38714","Methyl 1-(4-chlorobenzenecarboximidoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(4-chlorobenzenecarboximidoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylate",NA,"COC(=O)C1=NN(C2=C1CCCCC2)C(=N)C3=CC=C(C=C3)Cl","RVXVIZCGOIGECA-UHFFFAOYSA-N",362239,NA,"PDBC38714","625843","Present",NA,NA
+"38715","Methyl 1-(4-chlorobenzenecarboximidoyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(4-chlorobenzenecarboximidoyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylate",NA,"COC(=O)C1=NN(C2=C1CCC2)C(=N)C3=CC=C(C=C3)Cl","DOXXTSWCXKANMT-UHFFFAOYSA-N",362238,NA,"PDBC38715","625842","Present",NA,NA
+"38716","Methyl 1-(4-ethoxy-4-oxobutyl)triazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(4-ethoxy-4-oxobutyl)-1h-1,2,3-triazole-4-carboxylate",NA,"CCOC(=O)CCCN1C=C(N=N1)C(=O)OC","LLDVPIYBVOKDRC-UHFFFAOYSA-N",386526,NA,"PDBC38716","678958","Present",NA,NA
+"38717","Methyl 1-(4-hydroxybutyl)triazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(4-hydroxybutyl)-1h-1,2,3-triazole-4-carboxylate",NA,"COC(=O)C1=CN(N=N1)CCCCO","OGZSCAIOEFIJMT-UHFFFAOYSA-N",386525,NA,"PDBC38717","678957","Present",NA,NA
+"38718","Methyl 1-(5-bromopentyl)-2-oxocyclododecanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(5-bromopentyl)-2-oxocyclododecanecarboxylate",NA,"COC(=O)C1(CCCCCCCCCCC1=O)CCCCCBr","KAFMNJQGYAERTN-UHFFFAOYSA-N",380712,NA,"PDBC38718","666418","Present",NA,NA
+"38719","Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-oxo-1H-quinolin-3-yl)benzimidazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(2-oxo-1H-quinolin-3-yl)benzimidazole-5-carboxylate",NA,"CC(C)(C)C1=CC(=NN1)N2C3=C(C=C(C=C3)C(=O)OC)N=C2C4=CC5=CC=CC=C5NC4=O","VZXYQDKPWYDWJF-UHFFFAOYSA-N",135968230,NA,"PDBC38719","751042","Present",NA,NA
+"38720","Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)benzimidazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(5-tert-butyl-1H-pyrazol-3-yl)-2-(4-chlorophenyl)benzimidazole-5-carboxylate",NA,"CC(C)(C)C1=CC(=NN1)N2C3=C(C=C(C=C3)C(=O)OC)N=C2C4=CC=C(C=C4)Cl","QBXSFEQYLUYSMX-UHFFFAOYSA-N",54578484,NA,"PDBC38720","751038","Present",NA,NA
+"38721","Methyl 1-(6-bromo-1,3-benzodioxole-5-carbonyl)-2,3-dihydroindole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(6-bromo1,3-benzodioxole-5-carbonyl)indoline-5-carboxylate",NA,"COC(=O)C1=CC2=C(C=C1)N(CC2)C(=O)C3=CC4=C(C=C3Br)OCO4","SKTMKSIVVBARAJ-UHFFFAOYSA-N",397465,NA,"PDBC38721","705323","Present",NA,NA
+"38722","Methyl 1-(acetylamino)-2-phenylethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(acetylamino)-2-phenylethylcarbamate",NA,"CC(=O)NC(CC1=CC=CC=C1)NC(=O)OC","FGCIOYAJNGEVDF-UHFFFAOYSA-N",381470,NA,"PDBC38722","668057","Present",NA,NA
+"38723","Methyl 1-(benzenesulfonyl)-4-[(E)-3-oxo-4-phenyl-but-1-enyl]pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(3-oxo-4-phenyl-1-butenyl)-1-(phenylsulfonyl)-1H-pyrrole-2-carboxylate",NA,"COC(=O)C1=CC(=CN1S(=O)(=O)C2=CC=CC=C2)C=CC(=O)CC3=CC=CC=C3","SWLHUGMLBFRACF-OUKQBFOZSA-N",5468941,NA,"PDBC38723","679534","Present",NA,NA
+"38724","Methyl 1-(bis(3,4,5-trimethoxyphenyl)methyl)-5-oxo-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(bis(3,4,5-trimethoxyphenyl)methyl)-5-oxo-2-pyrrolidinecarboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C(CCC3=O)C(=O)OC","ZQMFYUYUXTWSHO-UHFFFAOYSA-N",393634,NA,"PDBC38724","695842","Present",NA,NA
+"38725","Methyl 1-(dimethylamino)-6-ethyl-7-oxobicyclo[2.2.1]hept-5-ene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(dimethylamino)-6-ethyl-7-oxobicyclo[2.2.1]hept-5-ene-2-carboxylate",NA,"CCC1=CC2CC(C1(C2=O)N(C)C)C(=O)OC","RPVRFXHMIMBOLH-UHFFFAOYSA-N",363715,NA,"PDBC38725","628874","Present",NA,NA
+"38726","Methyl 1-(dimethylamino)-6-hydroxy-5,10-dioxo-4H-benzo[g]quinoline-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(dimethylamino)-6-hydroxy-5,10-dioxo-4H-benzo[g]quinoline-4-carboxylate",NA,"CN(C)N1C=CC(C2=C1C(=O)C3=C(C2=O)C(=CC=C3)O)C(=O)OC","BQUIYVYCBJPAOT-UHFFFAOYSA-N",388893,NA,"PDBC38726","684119","Present",NA,NA
+"38727","Methyl 1-(ethoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(ethoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate",NA,"CCOC(=O)NN1C(=C(C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C1=O)C(=O)OC)C","YZRZDTNDAQZRRT-UHFFFAOYSA-N",365760,NA,"PDBC38727","633790","Present",NA,NA
+"38728","Methyl 1-(methoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(methoxycarbonylamino)-2-methyl-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate",NA,"CC1=C(C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N1NC(=O)OC)C(=O)OC","CJSRFSUNOCMHRE-UHFFFAOYSA-N",365759,NA,"PDBC38728","633789","Present",NA,NA
+"38729","Methyl 1-[(1R,6E,10E,14R)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]cyclopropane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[(1R,6E,10E,14R)-6,10,14-trimethyl-15-oxabicyclo[12.1.0]pentadeca-6,10-dien-3-yl]cyclopropane-1-carboxylate",NA,"CC1=CCCC2(C(O2)CC(CCC(=CCC1)C)C3(CC3)C(=O)OC)C","ZJLINNRFYKKXGE-AOOWCRJMSA-N",24202894,NA,"PDBC38729","726180","Present",NA,NA
+"38730","Methyl 1-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]cyclopropane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[(1S,4E,9S,10S,11R,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]cyclopropane-1-carboxylate",NA,"CC1CCCC(=CCCC2(C(CC(C(C1O)O2)C3(CC3)C(=O)OC)O)C)C","KHHOOLUXFFPRTF-AHBGHTJRSA-N",5469632,NA,"PDBC38730","690974","Present",NA,NA
+"38731","Methyl 1-[(4-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Pyrrolidinecarboxlic acid, 1-[.alpha.-(4-methoxyphenyl...",NA,"COC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C(CCC3=O)C(=O)OC","QAKWKFBDSZKEDA-UHFFFAOYSA-N",384217,NA,"PDBC38731","673622","Present",NA,NA
+"38732","Methyl 1-[(E)-N-[(3,4-dichlorophenyl)carbamoylamino]-C-methylcarbonimidoyl]-5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[(E)-N-[(3,4-dichlorophenyl)carbamoylamino]-C-methylcarbonimidoyl]-5-oxopyrrolidine-2-carboxylate",NA,"CC(=NNC(=O)NC1=CC(=C(C=C1)Cl)Cl)N2C(CCC2=O)C(=O)OC","MZAIMLDRPPQLPG-UFWORHAWSA-N",9570048,NA,"PDBC38732","635581","Present",NA,NA
+"38733","Methyl 1-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate",NA,"COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4C(CCC4=O)C(=O)OC","NIUHAHUFZKQQOF-UHFFFAOYSA-N",384221,NA,"PDBC38733","673626","Present",NA,NA
+"38734","Methyl 1-[1-naphthyl-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[1-naphthyl-(3,4,5-trimethoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC3=CC=CC=C32)N4C(CCC4=O)C(=O)OC","JVSZCAMFRJWINK-UHFFFAOYSA-N",463773,NA,"PDBC38734","695844","Present",NA,NA
+"38735","Methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylsulfanyl-7a-hydroxy-2,5-dioxo-3,4-dihydroindole-3a-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-ethylsulfanyl-7a-hydroxy-2,5-dioxo-3,4-dihydroindole-3a-carboxylate",NA,"CCSC1=CC2(C(CC1=O)(CC(=O)N2CCC3=CC(=C(C=C3)OC)OC)C(=O)OC)O","SVESEITYASXFEY-UHFFFAOYSA-N",397463,NA,"PDBC38735","705321","Present",NA,NA
+"38736","Methyl 1-[2-(4-methoxyphenyl)acetyl]-5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[2-(4-methoxyphenyl)acetyl]-5-oxopyrrolidine-2-carboxylate",NA,"COC1=CC=C(C=C1)CC(=O)N2C(CCC2=O)C(=O)OC","DEKOMQKSXAUMSY-UHFFFAOYSA-N",367291,NA,"PDBC38736","636839","Present",NA,NA
+"38737","Methyl 1-[2-(diethylamino)ethyl]-7-methyl-3,4-dihydroisothiochromene-1-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-(2-diethylaminoethyl)-7-methyl-isothiochroman-1-carboxylate hydrochloride",NA,"CCN(CC)CCC1(C2=C(CCS1)C=CC(=C2)C)C(=O)OC.Cl","RMSUHLXQCPTDRD-UHFFFAOYSA-N",396311,NA,"PDBC38737","702049","Present",NA,NA
+"38738","Methyl 1-[7-[bis-(4-methylphenyl)sulfonylamino]-3-(hydroxymethyl)-6-methoxyquinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[7-[bis-(4-methylphenyl)sulfonylamino]-3-(hydroxymethyl)-6-methoxyquinolin-2-yl]-9H-pyrido[3,4-b]indole-3-carboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C2=CC3=NC(=C(C=C3C=C2OC)CO)C4=C5C(=CC(=N4)C(=O)OC)C6=CC=CC=C6N5)S(=O)(=O)C7=CC=C(C=C7)C","RJLZRLDSQQXPBY-UHFFFAOYSA-N",45028275,NA,"PDBC38738","742035","Present",NA,NA
+"38739","Methyl 1-[[2-[[2-[[2-[[2-[[2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoyl]amino]-3-tert-butoxy-butanoyl]amino]-3-phenyl-propanoyl]amino]cyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[[2-[[2-[[2-[[3-(1H-indol-3-yl)-2-[[3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-3-[(2-methylpropan-2-yl)ox",NA,"CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2(CCCC2)C(=O)OC)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)OC(C)(C)C","BWWCPKRSUNJMJF-UHFFFAOYSA-N",461803,NA,"PDBC38739","672663","Present",NA,NA
+"38740","Methyl 1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxo-pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[bis(1,3-benzodioxol-5-yl)methyl]-5-oxo-pyrrolidine-2-carboxylate",NA,"COC(=O)C1CCC(=O)N1C(C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5","PXLSWHBCHOHGNX-UHFFFAOYSA-N",384222,NA,"PDBC38740","673627","Present",NA,NA
+"38741","Methyl 1-[bis(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-[bis(4-methoxyphenyl)methyl]-5-oxo-pyrrolidine-2-carboxylate",NA,"COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)N3C(CCC3=O)C(=O)OC","QRRHPMVRAFWLHO-UHFFFAOYSA-N",384220,NA,"PDBC38741","673625","Present",NA,NA
+"38742","Methyl 1-acetyl-5-thioxo-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-acetyl-5-thioxo-2-pyrrolidinecarboxylate",NA,"CC(=O)N1C(CCC1=S)C(=O)OC","BJIXWISSPWFGNE-UHFFFAOYSA-N",392805,NA,"PDBC38742","693724","Present",NA,NA
+"38743","Methyl 1-allyl-2-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-allyl-2-oxo-2,3,5,6,11,11b-hexahydro-1H-indolizino[8,7-b]indole-3-carboxylate",NA,"COC(=O)C1C(=O)C(C2N1CCC3=C2NC4=CC=CC=C34)CC=C","UNYOSZHECOEITR-UHFFFAOYSA-N",372202,NA,"PDBC38743","647153","Present",NA,NA
+"38744","Methyl 1-amino-3-phenylpyrrolo[2,1-b][1,3]benzothiazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-amino-3-phenylpyrrolo[2,1-b][1,3]benzothiazole-2-carboxylate",NA,"COC(=O)C1=C(N2C3=CC=CC=C3SC2=C1C4=CC=CC=C4)N","FZKVGINZKGLCRY-UHFFFAOYSA-N",396180,NA,"PDBC38744","701728","Present",NA,NA
+"38745","Methyl 1-amino-6,7,8,9,10,11-hexahydrocycloocta[2,1-d]thiopheno[2,3-b]pyridine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-amino-5-thia-7-azatricyclo[7.6.0.02,6]pentadeca-1,3,6,8-tetraene-4-carboxylate",NA,"COC(=O)C1=C(C2=C3CCCCCCC3=CN=C2S1)N","PJZDQJNILRFBQM-UHFFFAOYSA-N",396657,NA,"PDBC38745","703171","Present",NA,NA
+"38746","Methyl 1-benzamido-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-benzamido-7a-hydroxy-2,3a-dimethyl-4-oxo-6,7-dihydro-5H-indole-3-carboxylate",NA,"CC1=C(C2(C(=O)CCCC2(N1NC(=O)C3=CC=CC=C3)O)C)C(=O)OC","OYOIYPBQLFGPDI-UHFFFAOYSA-N",364553,NA,"PDBC38746","630973","Present",NA,NA
+"38747","Methyl 1-benzoyl-2-(3-chlorobenzyl)-2-azocanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-benzoyl-2-(3-chlorobenzyl)-2-azocanecarboxylate",NA,"COC(=O)C1(CCCCCCN1C(=O)C2=CC=CC=C2)CC3=CC(=CC=C3)Cl","WWEXICISQQYNDF-UHFFFAOYSA-N",377177,NA,"PDBC38747","658399","Present",NA,NA
+"38748","Methyl 1-benzoyl-5-benzoylsulfanyl-2,3-dihydropyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-benzoyl-5-benzoylsulfanyl-2,3-dihydropyrrole-2-carboxylate",NA,"COC(=O)C1CC=C(N1C(=O)C2=CC=CC=C2)SC(=O)C3=CC=CC=C3","NREUQFNFNCFCAT-UHFFFAOYSA-N",392798,NA,"PDBC38748","693719","Present",NA,NA
+"38749","Methyl 1-benzoyl-5-thioxo-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AQ-776/42801691",NA,"COC(=O)C1CCC(=S)N1C(=O)C2=CC=CC=C2","FRSLUAJLIPUQKR-UHFFFAOYSA-N",392799,NA,"PDBC38749","693720","Present",NA,NA
+"38750","Methyl 1-benzyl-4-hydroxy-2,6-di(2-pyridinyl)-3-piperidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-benzyl-4-hydroxy-2,6-di(2-pyridinyl)-3-piperidinecarboxylate",NA,"COC(=O)C1C(CC(N(C1C2=CC=CC=N2)CC3=CC=CC=C3)C4=CC=CC=N4)O","MXUQEGPQYDRJJG-UHFFFAOYSA-N",369334,NA,"PDBC38750","641088","Present",NA,NA
+"38751","Methyl 1-benzyl-4a-ethyl-7-methyl-2,3,4,4a,5,6,7,11c-octahydro-1H-pyrido[3,2-c]carbazole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-benzyl-4a-ethyl-7-methyl-2,3,4,5,6,11c-hexahydropyrido[3,2-c]carbazole-6-carboxylate",NA,"CCC12CCCN(C1C3=C(C(C2)C(=O)OC)N(C4=CC=CC=C43)C)CC5=CC=CC=C5","YFCBXMUGKAVGTO-UHFFFAOYSA-N",372691,NA,"PDBC38751","648222","Present",NA,NA
+"38752","Methyl 1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-cyclohexyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate",NA,"COC(=O)C1CC2=C(C(N1)C3CCCCC3)NC4=CC=CC=C24","KOLPHMYBGCHLFW-UHFFFAOYSA-N",363932,NA,"PDBC38752","629420","Present",NA,NA
+"38753","Methyl 1-cyclohexyl-4,6-dioxo-10b-phenyl-3aH-[2]benzoxepino[5,4-b]pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-cyclohexyl-4,6-dioxo-10b-phenyl-3aH-[2]benzoxepino[5,4-b]pyrrole-3-carboxylate",NA,"COC(=O)C1=CN(C2(C1C(=O)OC(=O)C3=CC=CC=C32)C4=CC=CC=C4)C5CCCCC5","SLJMMFIQKYFVQJ-UHFFFAOYSA-N",394467,NA,"PDBC38753","697940","Present",NA,NA
+"38754","Methyl 1-ethyl-5a-phenyl-1,2,4,5,5a,6,8a,8b-octahydropyrrolo[3,2,1-hi]indole-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[3,2,1-hi]indole-7-carboxylic acid, 1-ethyl-1,2,4...",NA,"CCC1CN2CCC3(C2C1C=C(C3)C(=O)OC)C4=CC=CC=C4","FMIGRRCIKMUYOO-UHFFFAOYSA-N",371325,NA,"PDBC38754","645429","Present",NA,NA
+"38755","Methyl 1-formylaspidofractinine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aspidofractine",NA,"COC(=O)C1CC23CCCN4C2C5(C1(CC3)N(C6=CC=CC=C65)C=O)CC4","XGYZDZNXCXHGBV-UHFFFAOYSA-N",254383,NA,"PDBC38755","78733","Present",NA,NA
+"38756","Methyl 1-hydroxy-2-(4-methoxyphenyl)-5-oxocyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-hydroxy-2-(4-methoxyphenyl)-5-oxocyclohexanecarboxylate",NA,"COC1=CC=C(C=C1)C2CCC(=O)CC2(C(=O)OC)O","CVGCXQMDFJOUQU-UHFFFAOYSA-N",372281,NA,"PDBC38756","647339","Present",NA,NA
+"38757","Methyl 1-hydroxy-2-(methoxycarbonylamino)-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-hydroxy-2-(methoxycarbonylamino)-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate",NA,"CC1=C(C2(CCOC2=O)C(N1NC(=O)OC)(C)O)C(=O)OC","PMTAVBJJKSHZCE-UHFFFAOYSA-N",364554,NA,"PDBC38757","630974","Present",NA,NA
+"38758","Methyl 1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxylate",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)OC)C)NC(=O)C3=CC(=CN3C)[N+](=O)[O-]","WMAKIRPXFQIRJN-UHFFFAOYSA-N",404109,NA,"PDBC38758","720230","Present",NA,NA
+"38759","Methyl 1-morpholin-4-yl-3-[(1S)-2-nitro-1-phenylpropyl]cyclopentane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-morpholin-4-yl-3-[(1S)-2-nitro-1-phenylpropyl]cyclopentane-1-carboxylate",NA,"CC(C(C1CCC(C1)(C(=O)OC)N2CCOCC2)C3=CC=CC=C3)[N+](=O)[O-]","GVASIQUISVGKAV-DQYDVZSKSA-N",353993,NA,"PDBC38759","603661","Present",NA,NA
+"38760","Methyl 1-nonyl-4-oxo-3-piperidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-nonyl-4-oxopiperidine-3-carboxylate",NA,"CCCCCCCCCN1CCC(=O)C(C1)C(=O)OC","MMXDFYIJUSDGEK-UHFFFAOYSA-N",395351,NA,"PDBC38760","699833","Present",NA,NA
+"38761","Methyl 1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,"COC(=O)C1CC2=C(C1=O)C=C3CCCC3=C2","CVGHEFOPWOMUMY-UHFFFAOYSA-N",382673,NA,"PDBC38761","670321","Present",NA,NA
+"38762","Methyl 1-oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalene-2-carboxylate",NA,"COC(=O)C1CC2=C(C1=O)C3=C(CCCC3)C=C2","QYIDDALBUVDWRH-UHFFFAOYSA-N",382675,NA,"PDBC38762","670323","Present",NA,NA
+"38763","Methyl 1-triphenylenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MESYQSUJXFZPJM-UHFFFAOYSA-N",NA,"COC(=O)C1=CC=CC2=C1C3=CC=CC=C3C4=CC=CC=C24","MESYQSUJXFZPJM-UHFFFAOYSA-N",362115,NA,"PDBC38763","625644","Present",NA,NA
+"38764","Methyl 10-acetyl-3-(4-methylphenyl)sulfonyl-9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-11-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 10-acetyl-3-(4-methylphenyl)sulfonyl-9-(2-methylprop-1-enyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13),11-pentaene-11-carboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C3C=C(N(C(C4=C3C2=CC=C4)C=C(C)C)C(=O)C)C(=O)OC","FUHVOEYHNHOQIJ-UHFFFAOYSA-N",360114,NA,"PDBC38764","621968","Present",NA,NA
+"38765","Methyl 10-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),4,6,8,14,16,18,20,22-decaene-22-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 10-oxo-3,13,23-triazahexacyclo[11.10.1.02,11.04,9.014,19.020,24]tetracosa-1(24),2(11),4,6,8,14,16,18,20,22-decaene-22-carboxylate",NA,"COC(=O)C1=NC2=C3C(=C1)C4=CC=CC=C4N3CC5=C2NC6=CC=CC=C6C5=O","SHRBGQSJQADLQB-UHFFFAOYSA-N",45028277,NA,"PDBC38765","742037","Present",NA,NA
+"38766","Methyl 10-oxo-9-oxa-2,3-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,11,13-tetraene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 10-oxo-9-oxa-2,3-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,11,13-tetraene-4-carboxylate",NA,"COC(=O)C1=NN2C(C1)CCOC(=O)C3=CC=CC=C32","YCHFSXUKMSNQHT-UHFFFAOYSA-N",385044,NA,"PDBC38766","675965","Present",NA,NA
+"38767","Methyl 10H-thieno[2,3-a]carbazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 10H-thieno[2,3-a]carbazole-4-carboxylate",NA,"COC(=O)C1=C2C=CSC2=C3C(=C1)C4=CC=CC=C4N3","VOIGBELPYFZGEV-UHFFFAOYSA-N",44139294,NA,"PDBC38767","740204","Present",NA,NA
+"38768","Methyl 11,12-dibromo-3,9-epoxycholan-24-oate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 11,12-dibromo-3,9-epoxycholan-24-oate",NA,"CC(CCC(=O)OC)C1CCC2C1(C(C(C34C2CCC5C3(CCC(C5)O4)C)Br)Br)C","XRRHDGKBIMJRKD-UHFFFAOYSA-N",229453,NA,"PDBC38768","23159","Present",NA,NA
+"38769","Methyl 11-(((benzyloxy)carbonyl)amino)-8,12-dioxo-1,7-diazacyclododecane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 11-(((benzyloxy)carbonyl)amino)-8,12-dioxo-1,7-diazacyclododecane-2-carboxylate",NA,"COC(=O)C1CCCCNC(=O)CCC(C(=O)N1)NC(=O)OCC2=CC=CC=C2","WVNQHEBAZFAQQH-UHFFFAOYSA-N",382355,NA,"PDBC38769","669825","Present",NA,NA
+"38770","Methyl 11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-4-(6-methoxycarbonyl-5,7,8,9,10,11-hexahydrocycloocta[b]indol-6-yl)-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 11-acetyloxy-12-ethyl-10-hydroxy-5-methoxy-4-(6-methoxycarbonyl-5,7,8,9,10,11-hexahydrocycloocta[b]indol-6-yl)-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-1",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CCCCCC7=C6NC8=CC=CC=C78)C(=O)OC)OC)C","FFDLSPCHTAMCHO-UHFFFAOYSA-N",325041,NA,"PDBC38770","292440","Present",NA,NA
+"38771","Methyl 11H-pyrido[2,3-a]carbazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 11H-pyrido[2,3-a]carbazole-5-carboxylate",NA,"COC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=CC=CC=C4N3","DMLHLXHSGXDLEI-UHFFFAOYSA-N",13776879,NA,"PDBC38771","740203","Present",NA,NA
+"38772","Methyl 12-acetamido-13,19-dioxo-3,14,20,30-tetrazahexacyclo[21.7.0.02,10.04,9.014,18.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-21-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 12-acetamido-13,19-dioxo-3,14,20,30-tetrazahexacyclo[21.7.0.02,10.04,9.014,18.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-21-carboxylate",NA,"CC(=O)NC1CC2=C(C3=C(CC(NC(=O)C4CCCN4C1=O)C(=O)OC)C5=CC=CC=C5N3)NC6=CC=CC=C26","LSKBQKYNXKBBGA-UHFFFAOYSA-N",392210,NA,"PDBC38772","692343","Present",NA,NA
+"38773","Methyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-11-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 12-cyclohexyl-8-oxo-1-phenyl-12-azatricyclo[7.2.1.02,7]dodeca-2,4,6,10-tetraene-11-carboxylate",NA,"COC(=O)C1=CC2C(=O)C3=CC=CC=C3C1(N2C4CCCCC4)C5=CC=CC=C5","ZKADLOXAHFISDD-UHFFFAOYSA-N",394468,NA,"PDBC38773","697941","Present",NA,NA
+"38774","Methyl 12-methoxy-9-oxo-7-(2-oxo-2-propan-2-yloxyethyl)-11H-indolizino[1,2-b]quinoline-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 12-methoxy-9-oxo-7-(2-oxo-2-propan-2-yloxyethyl)-11H-indolizino[1,2-b]quinoline-8-carboxylate",NA,"CC(C)OC(=O)CC1=C(C(=O)N2CC3=C(C4=CC=CC=C4N=C3C2=C1)OC)C(=O)OC","RZHXKAXOFKJLPS-UHFFFAOYSA-N",373979,NA,"PDBC38774","651011","Present",NA,NA
+"38775","Methyl 13-(phenylsulfonyl)-1,4,7,8,13,13b-hexahydro[1,2]oxazepino[2',3':1,2]pyrido[3,4-b]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 18-(benzenesulfonyl)-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),4,12,14,16-pentaene-3-carboxylate",NA,"COC(=O)C1C=CCON2C1C3=C(CC2)C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5","KDKJPSCEPZYYDT-UHFFFAOYSA-N",373183,NA,"PDBC38775","649147","Present",NA,NA
+"38776","Methyl 13-hydroxy-15-oxo-kaurenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 13-hydroxy-15-oxo-kaurenoate",NA,"CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4=O)O)(C)C(=O)OC","CAZYNLSCRWNLPJ-IXHWBTLXSA-N",359473,NA,"PDBC38776","620358","Present",NA,NA
+"38777","Methyl 13-methyl-1,4,7,8,13,13b-hexahydro[1,2]oxazepino[2',3':1,2]pyrido[3,4-b]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 18-methyl-7-oxa-8,18-diazatetracyclo[9.7.0.02,8.012,17]octadeca-1(11),4,12,14,16-pentaene-3-carboxylate",NA,"CN1C2=CC=CC=C2C3=C1C4C(C=CCON4CC3)C(=O)OC","WEMIBVKMTXTFDF-UHFFFAOYSA-N",373182,NA,"PDBC38777","649146","Present",NA,NA
+"38778","Methyl 14-oxopimara-8,15-dien-18-oate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 14-oxopimara-8,15-dien-18-oate",NA,"CC1(CCC2=C(C1=O)CCC3C2(CCCC3(C)C(=O)OC)C)C=C","HLGUIVUGCQPCHH-UHFFFAOYSA-N",371735,NA,"PDBC38778","646179","Present",NA,NA
+"38779","Methyl 16-(4-chlorophenyl)-4-oxo-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,7,11(15),13-pentaene-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 16-(4-chlorophenyl)-4-oxo-12,14-diphenyl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,7,11(15),13-pentaene-5-carboxylate",NA,"COC(=O)N1C(=O)N=C2N1C=NC3=C2C(C4=C(O3)N(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=C(C=C7)Cl","ILUKJBNDWASINW-UHFFFAOYSA-N",391838,NA,"PDBC38779","691426","Present",NA,NA
+"38780","Methyl 16-ethyl-3-[(16-ethyl-1-methoxycarbonyl-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,4,6,8,15-pentaen-3-yl)methoxymethyl]-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,4,6,8,15-pentaene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 16-ethyl-3-[(16-ethyl-1-methoxycarbonyl-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,4,6,8,15-pentaen-3-yl)methoxymethyl]-10,12-diazapentacyclo[12.3.1.02,10.04,9.012,17]octadeca-2,",NA,"CCC1=CC2CC3(C1N(C2)CN4C3=C(C5=CC=CC=C54)COCC6=C7C8(CC9CN(C8C(=C9)CC)CN7C1=CC=CC=C16)C(=O)OC)C(=O)OC","ZLPAJNBKIXJJCJ-UHFFFAOYSA-N",374015,NA,"PDBC38780","651088","Present",NA,NA
+"38781","Methyl 17-hydroxy-20xi-yohimban-16-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rauhimbin",NA,"COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)O","BLGXFZZNTVWLAY-UHFFFAOYSA-N",2866,NA,"PDBC38781","407306","Present",NA,NA
+"38782","Methyl 18-acetamido-14,17-dioxo-3,13,16,27-tetrazapentacyclo[18.7.0.02,10.04,9.021,26]heptacosa-1(20),2(10),4,6,8,21,23,25-octaene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 18-acetamido-14,17-dioxo-3,13,16,27-tetrazapentacyclo[18.7.0.02,10.04,9.021,26]heptacosa-1(20),2(10),4,6,8,21,23,25-octaene-12-carboxylate",NA,"CC(=O)NC1CC2=C(C3=C(CC(NC(=O)CNC1=O)C(=O)OC)C4=CC=CC=C4N3)NC5=CC=CC=C25","SPGZSKAURVQDBJ-UHFFFAOYSA-N",392211,NA,"PDBC38782","692344","Present",NA,NA
+"38783","Methyl 2',5'-dihydroxy-3-oxospiro[1H-indene-2,3'-2H-1-benzofuran]-4'-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2',5'-dihydroxy-3-oxospiro[1H-indene-2,3'-2H-1-benzofuran]-4'-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3(CC4=CC=CC=C4C3=O)C(O2)O)O","NYBWDQJIAPXAOO-UHFFFAOYSA-N",404178,NA,"PDBC38783","720329","Present",NA,NA
+"38784","Methyl 2'-(N-methylanilino)spiro[10H-acridine-9,4'-5H-1,3-thiazole]-5'-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2'-(N-methylanilino)spiro[10H-acridine-9,4'-5H-1,3-thiazole]-5'-carboxylate",NA,"CN(C1=CC=CC=C1)C2=NC3(C(S2)C(=O)OC)C4=CC=CC=C4NC5=CC=CC=C35","YQHUXXLAOYBHBA-UHFFFAOYSA-N",399781,NA,"PDBC38784","710876","Present",NA,NA
+"38785","Methyl 2'-methylsulfanylspiro[10H-acridine-9,4'-5H-1,3-thiazole]-5'-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2'-methylsulfanylspiro[10H-acridine-9,4'-5H-1,3-thiazole]-5'-carboxylate",NA,"COC(=O)C1C2(C3=CC=CC=C3NC4=CC=CC=C42)N=C(S1)SC","HWVFAJWANTUVNW-UHFFFAOYSA-N",399780,NA,"PDBC38785","710875","Present",NA,NA
+"38786","Methyl 2,1,3-benzoselenadiazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,1,3-benzoselenadiazole-5-carboxylate",NA,"COC(=O)C1=CC2=N[Se]N=C2C=C1","MSHPXWAWBAGBFD-UHFFFAOYSA-N",362895,NA,"PDBC38786","627369","Present",NA,NA
+"38787","Methyl 2,2,2-trifluoro-1-(2-oxido-1,3,2-dioxaphosphinan-2-yl)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,2,2-trifluoro-1-(2-oxido-1,3,2-dioxaphosphinan-2-yl)-1-(trifluoromethyl)ethylcarbamate",NA,"COC(=O)NC(C(F)(F)F)(C(F)(F)F)P1(=O)OCCCO1","QZENBZDNDPWRAA-UHFFFAOYSA-N",383547,NA,"PDBC38787","671965","Present",NA,NA
+"38788","Methyl 2,2,2-trifluoro-1-(2-pyridinylamino)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,2,2-trifluoro-1-(2-pyridinylamino)-1-(trifluoromethyl)ethylcarbamate",NA,"COC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC=N1","IJTYRKSOIGSKIL-UHFFFAOYSA-N",383575,NA,"PDBC38788","671993","Present",NA,NA
+"38789","Methyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,2,2-trifluoro-1-(4-toluidino)-1-(trifluoromethyl)ethylcarbamate",NA,"CC1=CC=C(C=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)OC","ASBZDWHFZWAFRZ-UHFFFAOYSA-N",383582,NA,"PDBC38789","672000","Present",NA,NA
+"38790","Methyl 2,2,4,4-tetraisopropyl-11-oxo-6,6a,13a,13b-tetrahydro-7aH,11H-[1,3,5,2,4]trioxadisilocino[6'',7'':4',5']furo[2',3':4,5][1,3]oxazolo[3,2-a]pyrimidine-7a-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 15-oxo-4,4,6,6-tetra(propan-2-yl)-3,5,7,10,18-pentaoxa-12,16-diaza-4,6-disilatetracyclo[9.7.0.02,9.012,17]octadeca-13,16-diene-11-carboxylate",NA,"CC(C)[Si]1(OCC2C(C3C(O2)(N4C=CC(=O)N=C4O3)C(=O)OC)O[Si](O1)(C(C)C)C(C)C)C(C)C","ATDRPSWPFAYZCR-UHFFFAOYSA-N",387257,NA,"PDBC38790","680838","Present",NA,NA
+"38791","Methyl 2,2-dimethyl-5-((4-methylphenyl)sulfonyl)tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,2-dimethyl-5-(4-methylphenyl)sulfonyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-4-carboxylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC3C(C2C(=O)OC)OC(O3)(C)C","OYGPUVRRQPKRPV-UHFFFAOYSA-N",391523,NA,"PDBC38791","690771","Present",NA,NA
+"38792","Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,3,4,6-tetra-O-galloyl-beta-D-glucopyranoside",NA,"COC1C(C(C(C(O1)COC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O","KNGUIYKUPNUFQT-UHFFFAOYSA-N",383389,NA,"PDBC38792","671560","Present",NA,NA
+"38793","Methyl 2,3,8-trimethyl-5,6-dioxo-9H-pyrrolo[2,3-f]quinoxaline-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,3,8-trimethyl-5,6-dioxo-6,9-dihydro-5h-pyrrolo[2,3-f]quinoxaline-7-carboxylate",NA,"CC1=C(C2=C(N1)C3=NC(=C(N=C3C(=O)C2=O)C)C)C(=O)OC","SAURFKLIWWQIJG-UHFFFAOYSA-N",402467,NA,"PDBC38793","716492","Present",NA,NA
+"38794","Methyl 2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis[(3,4-diacetoxycinnamoyl)amino]propanoic acid methyl ester",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)OC)NC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","USVRHAGCOAUNPO-QHKWOANTSA-N",5470539,NA,"PDBC38794","702982","Present",NA,NA
+"38795","Methyl 2,3-bis[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]oxy]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3-Bis[(3,4-diacetoxycinnamoyl)oxy]propanoic acid methyl ester",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OCC(C(=O)OC)OC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)OC(=O)C","FIXAUSHLUBEOCJ-QHKWOANTSA-N",5470541,NA,"PDBC38795","702984","Present",NA,NA
+"38796","Methyl 2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoate",NA,"COC1=C(C=C(C=C1)C=CC(=O)NCC(C(=O)OC)NC(=O)C=CC2=CC(=C(C=C2)OC)OC)OC","NFZFVFAKLQJGNO-QHKWOANTSA-N",5470540,NA,"PDBC38796","702983","Present",NA,NA
+"38797","Methyl 2,3-di-O-benzyl-6-deoxy-6-(3-iodobenzoylamino)-4-O-(1-pentenyl)-alfa-D-glicopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2,3-di-O-benzyl-6-deoxy-6-(3-iodobenzoylamino)-4-...",NA,"COC1C(C(C(C(O1)CNC(=O)C2=CC(=CC=C2)I)OCCCC=C)OCC3=CC=CC=C3)OCC4=CC=CC=C4","MODNYLJPLYGELP-UREUCWRBSA-N",54612763,NA,"PDBC38797","748653","Present",NA,NA
+"38798","Methyl 2,3-dideoxy-4-O-(methylsulfonyl)hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl] methanesulfonate",NA,"COC1CCC(C(O1)CO)OS(=O)(=O)C","GSUUIEBKGVTMLJ-UHFFFAOYSA-N",360939,NA,"PDBC38798","623652","Present",NA,NA
+"38799","Methyl 2,3-diphenyl-3,6-dihydro-2H-1,2-oxazine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,3-diphenyl-3,6-dihydro-2H-1,2-oxazine-4-carboxylate",NA,"COC(=O)C1=CCON(C1C2=CC=CC=C2)C3=CC=CC=C3","LHKIGPCDMXOOON-UHFFFAOYSA-N",370851,NA,"PDBC38799","644558","Present",NA,NA
+"38800","Methyl 2,4-Dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RARECHEM AL BF 0788",NA,"COC(=O)C1=CNC(=O)NC1=O","LNFWHIMRFZBBFO-UHFFFAOYSA-N",353768,NA,"PDBC38800","602880","Present",NA,NA
+"38801","Methyl 2,4-di(1H-indol-3-yl)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,4-di(1H-indol-3-yl)-4-oxobutanoate",NA,"COC(=O)C(CC(=O)C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43","KTTWMXBEEVXUSC-UHFFFAOYSA-N",362923,NA,"PDBC38801","627399","Present",NA,NA
+"38802","Methyl 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,4-dioxo-1,3-diazaspiro[4.5]decane-8-carboxylate",NA,"COC(=O)C1CCC2(CC1)C(=O)NC(=O)N2","NEFVHCKIEYATMG-UHFFFAOYSA-N",359073,NA,"PDBC38802","619575","Present",NA,NA
+"38803","Methyl 2,5,5-tricyano-3,6-bis(3-thienyl)piperazine-2-carboximidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,5,5-tricyano-3,6-bis(3-thienyl)piperazine-2-carboximidate",NA,"COC(=N)C1(C(NC(C(N1)C2=CSC=C2)(C#N)C#N)C3=CSC=C3)C#N","VLKISKAQWMZNTE-UHFFFAOYSA-N",385625,NA,"PDBC38803","676965","Present",NA,NA
+"38804","Methyl 2,5,6-trichloropyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4747AC",NA,"COC(=O)C1=C(C(=NC(=N1)Cl)Cl)Cl","TVFOOGACHSHHSX-UHFFFAOYSA-N",248061,NA,"PDBC38804","64342","Present",NA,NA
+"38805","Methyl 2,5-bis(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,5-bis(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC","ZDEGVSSGWFFBAQ-UHFFFAOYSA-N",359009,NA,"PDBC38805","619221","Present",NA,NA
+"38806","Methyl 2,5-bis(3,4-dimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,5-bis(3,4-dimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,"COC1=C(C=C(C=C1)C2CC(=C(O2)C3=CC(=C(C=C3)OC)OC)C(=O)OC)OC","CVBAOZNTGIDNRI-UHFFFAOYSA-N",360154,NA,"PDBC38806","622087","Present",NA,NA
+"38807","Methyl 2,5-bis(3,4-dimethoxyphenyl)furan-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,5-bis(3,4-dimethoxyphenyl)furan-3-carboxylate",NA,"COC1=C(C=C(C=C1)C2=CC(=C(O2)C3=CC(=C(C=C3)OC)OC)C(=O)OC)OC","JEVVESHNMLBXCN-UHFFFAOYSA-N",360153,NA,"PDBC38807","622086","Present",NA,NA
+"38808","Methyl 2,5-di(1,3-benzodioxol-5-yl)-4,5-dihydro-3-furancarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,5-di(1,3-benzodioxol-5-yl)-4,5-dihydro-3-furancarboxylate",NA,"COC(=O)C1=C(OC(C1)C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5","ZKCMETIEMBJGTE-UHFFFAOYSA-N",360157,NA,"PDBC38808","622090","Present",NA,NA
+"38809","Methyl 2,5-dihydrothiophene-3-carboxylate 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methoxycarbonyl-2,5-dihydrothiophene-1,1-dioxide",NA,"COC(=O)C1=CCS(=O)(=O)C1","YHHZABJZHHCDNW-UHFFFAOYSA-N",368979,NA,"PDBC38809","640439","Present",NA,NA
+"38810","Methyl 2,5-dihydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl gentisate",NA,"COC(=O)C1=C(C=CC(=C1)O)O","XGDPKUKRQHHZTH-UHFFFAOYSA-N",75077,NA,"PDBC38810","618316","Present",NA,NA
+"38811","Methyl 2,5-dihydroxycinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Erbstatin analog",NA,NA,"COC(=O)C=CC1=C(C=CC(=C1)O)O","BQCNSTFWSKOWMA-GORDUTHDSA-N",5353609,NA,"PDBC38811",NA,"Absent",NA,NA
+"38812","Methyl 2,6,11-triacetyloxy-5-[(3,5-dimethoxyphenyl)methyl]benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,6,11-tris(acetyloxy)-5-(3,5-dimethoxybenzyl)-5h-benzo[b]carbazole-1-carboxylate",NA,"CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C(=C23)OC(=O)C)OC(=O)C)CC5=CC(=CC(=C5)OC)OC)C(=O)OC","YENBKIUGSOWGON-UHFFFAOYSA-N",404313,NA,"PDBC38812","720495","Present",NA,NA
+"38813","Methyl 2,6,11-triacetyloxy-5-benzylbenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,6,11-tris(acetyloxy)-5-benzyl-5h-benzo[b]carbazole-1-carboxylate",NA,"CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C(=C23)OC(=O)C)OC(=O)C)CC5=CC=CC=C5)C(=O)OC","CHGOODVQWODTQL-UHFFFAOYSA-N",404315,NA,"PDBC38813","720497","Present",NA,NA
+"38814","Methyl 2,6,11-triacetyloxy-5-methylbenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,6,11-tris(acetyloxy)-5-methyl-5h-benzo[b]carbazole-1-carboxylate",NA,"CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C(=C23)OC(=O)C)OC(=O)C)C)C(=O)OC","DXKROOJCHRZXCL-UHFFFAOYSA-N",404310,NA,"PDBC38814","720492","Present",NA,NA
+"38815","Methyl 2,6-bis(cyanomethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,6-bis(cyanomethyl)benzoate",NA,"COC(=O)C1=C(C=CC=C1CC#N)CC#N","YGKFFXULAHQCKR-UHFFFAOYSA-N",358338,NA,"PDBC38815","618303","Present",NA,NA
+"38816","Methyl 2,6-diacetyloxy-5-methylbenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,6-bis(acetyloxy)-5-methyl-5h-benzo[b]carbazole-1-carboxylate",NA,"CC(=O)OC1=C(C2=C(C=C1)N(C3=C(C4=CC=CC=C4C=C23)OC(=O)C)C)C(=O)OC","HXRGTDJRGNMQBN-UHFFFAOYSA-N",404309,NA,"PDBC38816","720491","Present",NA,NA
+"38817","Methyl 2,6-dihydroxy-5H-benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,6-dihydroxy-5H-benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=CC4=CC=CC=C4C(=C3N2)O)O","BDHPFHOIRJLORJ-UHFFFAOYSA-N",404487,NA,"PDBC38817","720723","Present",NA,NA
+"38818","Methyl 2,6-dimethyl-5-nitro-4-(3-nitrosophenyl)-1,4-dihydropyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,6-dimethyl-5-nitro-4-(3-nitrosophenyl)-1,4-dihydropyridine-3-carboxylate",NA,"CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CC=C2)N=O)C(=O)OC","WAROSOGFGCWFCZ-UHFFFAOYSA-N",382123,NA,"PDBC38818","669516","Present",NA,NA
+"38819","Methyl 2,7-dihydroeburnamenine-14-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,7-dihydroeburnamenine-14-carboxylate",NA,"CCC12CCCN3C1C4C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OC","YUVIDOWWGRDLOX-UHFFFAOYSA-N",363052,NA,"PDBC38819","627601","Present",NA,NA
+"38820","Methyl 2-((((((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetyl)amino)acetyl)amino)-3-methylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-3-methylbutanoate",NA,"CC(C)C(C(=O)OC)NC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","PWQMINNTSNNXRJ-UHFFFAOYSA-N",395268,NA,"PDBC38820","699746","Present",NA,NA
+"38821","Methyl 2-((((3-fluoro-1-adamantyl)amino)carbonyl)amino)-4-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((((3-fluoro-1-adamantyl)amino)carbonyl)amino)-4-methylpentanoate",NA,"CC(C)CC(C(=O)OC)NC(=O)NC12CC3CC(C1)CC(C3)(C2)F","LMQXSZAJSYJZAY-UHFFFAOYSA-N",371835,NA,"PDBC38821","646351","Present",NA,NA
+"38822","Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-palmitoylhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] hexadecanoate",NA,"CCCCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OC)NC(=O)N(CCCl)N=O","PONIAVAMAMBKHY-UHFFFAOYSA-N",370172,NA,"PDBC38822","642916","Present",NA,NA
+"38823","Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-3-O-tetradecanoylhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] tetradecanoate",NA,"CCCCCCCCCCCCCC(=O)OC1C(C(OC(C1O)CO)OC)NC(=O)N(CCCl)N=O","MZTNCZVZALGRIZ-UHFFFAOYSA-N",370169,NA,"PDBC38823","642913","Present",NA,NA
+"38824","Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-dodecanoylhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl dodecanoate",NA,"CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O","GBALTAYLJYHGJL-UHFFFAOYSA-N",370167,NA,"PDBC38824","642911","Present",NA,NA
+"38825","Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-octanoylhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl octanoate",NA,"CCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O","DHNBQAVDYAGDBE-UHFFFAOYSA-N",370236,NA,"PDBC38825","643006","Present",NA,NA
+"38826","Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-palmitoylhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl hexadecanoate",NA,"CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O","BLWQPTZKSURJND-UHFFFAOYSA-N",368307,NA,"PDBC38826","638855","Present",NA,NA
+"38827","Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-stearoylhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl octadecanoate",NA,"CCCCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O","IEYIWXBJAVNHQT-UHFFFAOYSA-N",370170,NA,"PDBC38827","642914","Present",NA,NA
+"38828","Methyl 2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxy-6-O-tetradecanoylhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3,4-dihydroxy-6-methoxyoxan-2-yl]methyl tetradecanoate",NA,"CCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)O)O","AGMNHLXDWBTQPZ-UHFFFAOYSA-N",370168,NA,"PDBC38828","642912","Present",NA,NA
+"38829","Methyl 2-(((2-methoxy-1-(4-methoxy-3-(4-(3-methoxy-2-((4-(methoxycarbonyl)benzoyl)amino)-3-oxopropyl)phenoxy)benzyl)-2-oxoethyl)amino)carbonyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[1-methoxy-3-[4-methoxy-3-[4-[3-methoxy-2-[(4-methoxycarbonylbenzoyl)amino]-3-oxopropyl]phenoxy]phenyl]-1-oxopropan-2-yl]carbamoyl]benzoate",NA,"COC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)C2=CC=CC=C2C(=O)OC)OC3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=CC=C(C=C4)C(=O)OC","FPXJTMAOSAOVLP-UHFFFAOYSA-N",394211,NA,"PDBC38829","697493","Present",NA,NA
+"38830","Methyl 2-(((4-benzoylphenyl)acetyl)amino)-4-(methylthio)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(((4-benzoylphenyl)acetyl)amino)-4-(methylthio)butanoate",NA,"COC(=O)C(CCSC)NC(=O)CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2","YJYKIZCLINNOKP-UHFFFAOYSA-N",385936,NA,"PDBC38830","677399","Present",NA,NA
+"38831","Methyl 2-(((dimethylamino)methylene)amino)-2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(((dimethylamino)methylene)amino)-2-methylpropanoate",NA,"CC(C)(C(=O)OC)N=CN(C)C","HBYLQESTKHSIIL-UHFFFAOYSA-N",370812,NA,"PDBC38831","644333","Present",NA,NA
+"38832","Methyl 2-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)benzoate",NA,"COC(=O)C1=CC=CC=C1CC2CC3=C(C2=O)C=C4CCCC4=C3","QPIUDTVBNKEUGK-UHFFFAOYSA-N",382689,NA,"PDBC38832","670337","Present",NA,NA
+"38833","Methyl 2-((1-oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-2-yl)methyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((1-oxo-2,3,6,7,8,9-hexahydro-1H-cyclopenta[a]naphthalen-2-yl)methyl)benzoate",NA,"COC(=O)C1=CC=CC=C1CC2CC3=C(C2=O)C4=C(CCCC4)C=C3","FGRCYQFGQCSGOP-UHFFFAOYSA-N",382690,NA,"PDBC38833","670338","Present",NA,NA
+"38834","Methyl 2-((2,5-dihydroxybenzyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((2,5-dihydroxybenzyl)amino)benzoate",NA,"COC(=O)C1=CC=CC=C1NCC2=C(C=CC(=C2)O)O","HOYMVLYORHKZIY-UHFFFAOYSA-N",375253,NA,"PDBC38834","654704","Present",NA,NA
+"38835","Methyl 2-((2,6-dimethoxyphenyl)ethynyl)-3-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((2,6-dimethoxyphenyl)ethynyl)-3-methoxybenzoate",NA,"COC1=C(C(=CC=C1)OC)C#CC2=C(C=CC=C2OC)C(=O)OC","ZXCPIRNNOGPRIA-UHFFFAOYSA-N",385627,NA,"PDBC38835","676967","Present",NA,NA
+"38836","Methyl 2-((2-(((benzyloxy)carbonyl)amino)-3-(1H-indol-3-yl)propanoyl)amino)-3-(1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)OCC5=CC=CC=C5","XXJKMZGNUJVEQK-UHFFFAOYSA-N",363200,NA,"PDBC38836","627875","Present",NA,NA
+"38837","Methyl 2-((2-((tert-butoxycarbonyl)amino)-3-mercaptopropanoyl)amino)-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((2-((tert-butoxycarbonyl)amino)-3-mercaptopropanoyl)amino)-3-phenylpropanoate",NA,"CC(C)(C)OC(=O)NC(CS)C(=O)NC(CC1=CC=CC=C1)C(=O)OC","TWBGMBZSJQCBLC-UHFFFAOYSA-N",381724,NA,"PDBC38837","668583","Present",NA,NA
+"38838","Methyl 2-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-4-methoxybutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((2-((tert-butoxycarbonyl)amino)-4-methylpentanoyl)amino)-4-methoxybutanoate",NA,"CC(C)CC(C(=O)NC(CCOC)C(=O)OC)NC(=O)OC(C)(C)C","FYWOPOHVWNMMIR-UHFFFAOYSA-N",382706,NA,"PDBC38838","670354","Present",NA,NA
+"38839","Methyl 2-((2-(1-hydroxyvinyl)phenyl)ethynyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((2-(1-hydroxyvinyl)phenyl)ethynyl)benzoate",NA,"COC(=O)C1=CC=CC=C1C#CC2=CC=CC=C2C(=C)O","KWPNQFFKGUFPFW-UHFFFAOYSA-N",379183,NA,"PDBC38839","663591","Present",NA,NA
+"38840","Methyl 2-((3-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)propanoyl)amino)-3-(4-hydroxyphenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[3-benzyloxy-2-(benzyloxycarbonylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoate",NA,"COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(COCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","ZGJOKKROJVVMTJ-UHFFFAOYSA-N",381824,NA,"PDBC38840","668896","Present",NA,NA
+"38841","Methyl 2-((3-(hydroxy(oxido)amino)-4,5-bis(3-(hydroxy(oxido)amino)phenyl)-2-furyl)methylene)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[(E)-[3-nitro-4,5-bis(3-nitrophenyl)furan-2-yl]methylideneamino]carbamate",NA,"COC(=O)NN=CC1=C(C(=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]","XAWZFAJMUKBZDF-KEBDBYFISA-N",9555886,NA,"PDBC38841","647249","Present",NA,NA
+"38842","Methyl 2-((3-amino-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)-4-benzyl-4H-furo[3,2-b]pyrrole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-((3-amino-4-oxo-2-thioxothiazolidin-5-ylidene)m...",NA,"COC(=O)C1=CC2=C(N1CC3=CC=CC=C3)C=C(O2)C=C4C(=O)N(C(=S)S4)N","LHMNKWAUSYHTFN-LZYBPNLTSA-N",45029165,NA,"PDBC38842","745534","Present",NA,NA
+"38843","Methyl 2-((4,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((4,7-dimethyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate",NA,"CC1=C2CC(C(=O)C2=C(C=C1)C)CC3=CC=CC=C3C(=O)OC","UFCRTEPYKAXNSP-UHFFFAOYSA-N",386195,NA,"PDBC38843","677817","Present",NA,NA
+"38844","Methyl 2-((4-(((benzyloxy)carbonyl)amino)butanoyl)amino)-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((4-(((benzyloxy)carbonyl)amino)butanoyl)amino)-3-phenylpropanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)CCCNC(=O)OCC2=CC=CC=C2","MWRHQEMRZSFNJF-UHFFFAOYSA-N",381817,NA,"PDBC38844","668890","Present",NA,NA
+"38845","Methyl 2-((4-((2-cyanoethyl)(phenylsulfonyl)amino)benzylidene)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((4-((2-cyanoethyl)(phenylsulfonyl)amino)benzylidene)amino)benzoate",NA,"COC(=O)C1=CC=CC=C1N=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","DDZICDSETJMYBB-UHFFFAOYSA-N",372592,NA,"PDBC38845","647953","Present",NA,NA
+"38846","Methyl 2-((4-((aminocarbonyl)hydrazono)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-5-methoxy-2,5-dioxopentanoyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[(4Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-4-(carbamoylhydrazinylidene)-5-methoxy-2,5-dioxopentanoyl]amino]benzoate",NA,"COC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=NNC(=O)N)C(=O)OC","PQRFCHIHLJHGME-NHYZDEDTSA-N",9571346,NA,"PDBC38846","646802","Present",NA,NA
+"38847","Methyl 2-((4-(1,5-bis(3-chlorophenyl)-4,6-dioxo-1,3,5-triazinan-2-yl)benzyl)oxy)-2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((4-(1,5-bis(3-chlorophenyl)-4,6-dioxo-1,3,5-triazinan-2-yl)benzyl)oxy)-2-methylpropanoate",NA,"CC(C)(C(=O)OC)OCC1=CC=C(C=C1)C2NC(=O)N(C(=O)N2C3=CC(=CC=C3)Cl)C4=CC(=CC=C4)Cl","IWLQYAMRNMLOOL-UHFFFAOYSA-N",392657,NA,"PDBC38847","693236","Present",NA,NA
+"38848","Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-(4-chlorophenyl)-3-cyanopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-(4-chlorophenyl)-3-cyanopropanoate",NA,"CC1=NN=C(N1N)NN=C(C(C#N)C2=CC=C(C=C2)Cl)C(=O)OC","PSTOWCVBIURTQA-UNOMPAQXSA-N",9570040,NA,"PDBC38848","635336","Present",NA,NA
+"38849","Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-cyano-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((4-amino-5-methyl-4H-1,2,4-triazol-3-yl)hydrazono)-3-cyano-3-phenylpropanoate",NA,"CC1=NN=C(N1N)NN=C(C(C#N)C2=CC=CC=C2)C(=O)OC","HJKFDIZUKKRJIA-PDGQHHTCSA-N",9570044,NA,"PDBC38849","635397","Present",NA,NA
+"38850","Methyl 2-((4-methoxyphenyl)(phenyl)methylene)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((4-methoxyphenyl)(phenyl)methylene)hydrazinecarboxylate",NA,"COC1=CC=C(C=C1)C(=NNC(=O)OC)C2=CC=CC=C2","HNENEAVPPAGBLP-BMRADRMJSA-N",9571632,NA,"PDBC38850","692590","Present",NA,NA
+"38851","Methyl 2-((4-methylphenyl)sulfonyl)-3-((6-methyl-2-pyridinyl)amino)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((4-methylphenyl)sulfonyl)-3-((6-methyl-2-pyridinyl)amino)acrylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)C(=CNC2=CC=CC(=N2)C)C(=O)OC","PFZSBIRHASPRTH-RVDMUPIBSA-N",3005098,NA,"PDBC38851","671465","Present",NA,NA
+"38852","Methyl 2-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)-4-pentenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((4-tert-butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)amino)-4-pentenoate",NA,"CC(C)(C)OC(=O)CC(C(=O)NC(CC=C)C(=O)OC)NC(=O)OC(C)(C)C","KMTAWRUJHTUACP-UHFFFAOYSA-N",382221,NA,"PDBC38852","669678","Present",NA,NA
+"38853","Methyl 2-((5-((amino(imino)methyl)amino)-2-(((benzyloxy)carbonyl)amino)pentanoyl)amino)-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-3-phenyl-propanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCN=C(N)N)NC(=O)OCC2=CC=CC=C2","DPOMBQSFXWJVJW-UHFFFAOYSA-N",381819,NA,"PDBC38853","668892","Present",NA,NA
+"38854","Methyl 2-((5-((amino(imino)methyl)amino)-2-(((benzyloxy)carbonyl)amino)pentanoyl)amino)-4-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-(benzyloxycarbonylamino)-5-guanidino-pentanoyl]amino]-4-methyl-pentanoate",NA,"CC(C)CC(C(=O)OC)NC(=O)C(CCCN=C(N)N)NC(=O)OCC1=CC=CC=C1","UIESYHDNHVGZRB-UHFFFAOYSA-N",381820,NA,"PDBC38854","668893","Present",NA,NA
+"38855","Methyl 2-((6-chloro-3-hydroxy-2-quinoxalinyl)methyl)-4-(2,5-dimethylanilino)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((6-chloro-3-hydroxy-2-quinoxalinyl)methyl)-4-(2,5-dimethylanilino)-3,4-dioxobutanoate",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(CC2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","BELSWYSWNHPMHA-UHFFFAOYSA-N",369811,NA,"PDBC38855","642005","Present",NA,NA
+"38856","Methyl 2-((6-chloro-3-hydroxy-2-quinoxalinyl)methyl)-4-(3-chloro-2-methylanilino)-3-(hydroxyimino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3Z)-4-(3-chloro-2-methylanilino)-2-[(6-chloro-3-oxo-4H-quinoxalin-2-yl)methyl]-3-hydroxyimino-4-oxobutanoate",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=NO)C(CC2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","NBNCDUOTPUPHKN-IMRQLAEWSA-N",6413410,NA,"PDBC38856","642004","Present",NA,NA
+"38857","Methyl 2-((7-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((7-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate",NA,"CC1=C2C(=CC=C1)CC(C2=O)CC3=CC=CC=C3C(=O)OC","HAGSRESGUUTLDP-UHFFFAOYSA-N",385696,NA,"PDBC38857","677042","Present",NA,NA
+"38858","Methyl 2-((S,3Z)-6-((E)-1-hydroxy-3-phenylallylidene)-5-oxocyclohex-3-enyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-((S,3Z)-6-((E)-1-hydroxy-3-phenylallylidene)-5-...",NA,"COC(=O)CC1CC=CC(=O)C1=C(C=CC2=CC=CC=C2)O","HAXYQNFQUDHACW-FIQZBLEBSA-N",60147813,NA,"PDBC38858","752464","Present",NA,NA
+"38859","Methyl 2-((aminocarbonyl)hydrazono)-3-cyano-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((aminocarbonyl)hydrazono)-3-cyano-3-phenylpropanoate",NA,"COC(=O)C(=NNC(=O)N)C(C#N)C1=CC=CC=C1","WKOMURDLCQWVJI-GDNBJRDFSA-N",6375702,NA,"PDBC38859","635399","Present",NA,NA
+"38860","Methyl 2-((aminocarbothioyl)hydrazono)-3-cyano-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((aminocarbothioyl)hydrazono)-3-cyano-3-phenylpropanoate",NA,"COC(=O)C(=NNC(=S)N)C(C#N)C1=CC=CC=C1","KUZWBYBFQIVBHR-GDNBJRDFSA-N",6375487,NA,"PDBC38860","635391","Present",NA,NA
+"38861","Methyl 2-((benzyloxy)methyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((benzyloxy)methyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylate",NA,"COC(=O)C1(CCCC2C1O2)COCC3=CC=CC=C3","DMQXLAPMSKEJED-UHFFFAOYSA-N",358281,NA,"PDBC38861","618223","Present",NA,NA
+"38862","Methyl 2-((diphenylmethylene)amino)-3-(1H-imidazol-4-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-((diphenylmethylene)amino)-3-(1H-imidazol-4-yl)propanoate",NA,"COC(=O)C(CC1=CN=CN1)N=C(C2=CC=CC=C2)C3=CC=CC=C3","CUWILEAFPRNUMW-UHFFFAOYSA-N",382181,NA,"PDBC38862","669640","Present",NA,NA
+"38863","Methyl 2-(1'-oxospiro[3,4-dihydropyrazole-5,2'-3H-cyclopenta[a]naphthalene]-4-yl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1'-oxospiro[3,4-dihydropyrazole-5,2'-3H-cyclopenta[a]naphthalene]-4-yl)benzoate",NA,"COC(=O)C1=CC=CC=C1C2CN=NC23CC4=C(C3=O)C5=CC=CC=C5C=C4","VODISZCOJIVBTN-UHFFFAOYSA-N",393828,NA,"PDBC38863","696649","Present",NA,NA
+"38864","Methyl 2-(1,1,3,3,7,7,9,9-octamethyl-2,8-dioxo-5,10-dithia-11-azadispiro[3.1.3^{6}.2^{4}]undecan-11-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1,1,3,3,7,7,9,9-octamethyl-2,8-dioxo-5,10-dithia-11-azadispiro[3.1.36.24]undecan-11-yl)acetate",NA,"CC1(C(=O)C(C12N(SC3(S2)C(C(=O)C3(C)C)(C)C)CC(=O)OC)(C)C)C","DRERXGGTVRBVQG-UHFFFAOYSA-N",393782,NA,"PDBC38864","696469","Present",NA,NA
+"38865","Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)benzoate",NA,"COC(=O)C1=CC=CC=C1CC2CC3=C(C2)C=C4CCCC4=C3","VHBNZKSROKKYTN-UHFFFAOYSA-N",382646,NA,"PDBC38865","670294","Present",NA,NA
+"38866","Methyl 2-(1,2,3,6,7,8-hexahydro-as-indacen-2-ylmethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1,2,3,6,7,8-hexahydro-as-indacen-2-ylmethyl)benzoate",NA,"COC(=O)C1=CC=CC=C1CC2CC3=C(C2)C4=C(CCC4)C=C3","KKVDJLDHHJXSLH-UHFFFAOYSA-N",385656,NA,"PDBC38866","677002","Present",NA,NA
+"38867","Methyl 2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(CC(O2)C3=CC4=C(C=C3)OCO4)C(=O)OC","XPYVEYIFZHTOLB-UHFFFAOYSA-N",359010,NA,"PDBC38867","619222","Present",NA,NA
+"38868","Methyl 2-(1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1,3-dioxo-3,4-dihydro-2(1H)-isoquinolinyl)benzoate",NA,"COC(=O)C1=CC=CC=C1N2C(=O)CC3=CC=CC=C3C2=O","YRAYHMOVHPNTLM-UHFFFAOYSA-N",362863,NA,"PDBC38868","627269","Present",NA,NA
+"38869","Methyl 2-(1,3-dioxoisoindol-2-yl)oxy-7-(pentanoylamino)-1,8-naphthyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1,3-dioxoisoindol-2-yl)oxy-7-(pentanoylamino)-1,8-naphthyridine-3-carboxylate",NA,"CCCCC(=O)NC1=NC2=NC(=C(C=C2C=C1)C(=O)OC)ON3C(=O)C4=CC=CC=C4C3=O","IZLUZISUDWSWLZ-UHFFFAOYSA-N",4389015,NA,"PDBC38869","700519","Present",NA,NA
+"38870","Methyl 2-(1,4-dihydroxy-9,10-dioxo-2-anthryl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1,4-dihydroxy-9,10-dioxo-2-anthryl)acetate",NA,"COC(=O)CC1=CC(=C2C(=C1O)C(=O)C3=CC=CC=C3C2=O)O","GANZBZTUAZSPKG-UHFFFAOYSA-N",438245,NA,"PDBC38870","628529","Present",NA,NA
+"38871","Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(2-iodophenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-3-(2-iodophenyl)propanoate",NA,"COC(=O)C(CC1=CC=CC=C1I)C2=CCC3(CC2)OCCO3","WWSDPLYIMKUEOL-UHFFFAOYSA-N",395123,NA,"PDBC38871","699414","Present",NA,NA
+"38872","Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-4-(2-iodophenyl)butanoate",NA,"COC(=O)C(CCC1=CC=CC=C1I)C2=CCC3(CC2)OCCO3","ULQAGRMDQCLWAC-UHFFFAOYSA-N",395124,NA,"PDBC38872","699415","Present",NA,NA
+"38873","Methyl 2-(1,7-octadiynyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1,7-octadiynyl)benzoate",NA,"COC(=O)C1=CC=CC=C1C#CCCCCC#C","MPQDPTXPCUYGHH-UHFFFAOYSA-N",373288,NA,"PDBC38873","649437","Present",NA,NA
+"38874","Methyl 2-(1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(3-(hydroxy(oxido)amino)anilino)-2-oxoethylidene)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[(Z)-[2-(3-nitroanilino)-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-oxoethylidene]amino]carbamate",NA,"COC(=O)NN=C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","JCWSWXIPRDXDFR-JCMHNJIXSA-N",135499200,NA,"PDBC38874","644727","Present",NA,NA
+"38875","Methyl 2-(1-(6-methyl-2-pyridinyl)ethylidene)hydrazinecarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbodithioic acid, [(6-methyl-2-pyridinyl) eth...",NA,"CC1=NC(=CC=C1)C(=NNC(=S)SC)C","FBWSJSWNFLLJJB-XYOKQWHBSA-N",9574347,NA,"PDBC38875","600060","Present",NA,NA
+"38876","Methyl 2-(1-oxo-2,3-dihydroinden-4-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(1-oxoindan-4-yl)acetate",NA,"COC(=O)CC1=C2CCC(=O)C2=CC=C1","OVGBVYCGTGUXJN-UHFFFAOYSA-N",385734,NA,"PDBC38876","677081","Present",NA,NA
+"38877","Methyl 2-(10-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(10-methoxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl)acetate",NA,"COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4CC(=O)OC)C2=NC5=CC=CC=C51","HTYSQIPYHSIWAC-UHFFFAOYSA-N",373980,NA,"PDBC38877","651012","Present",NA,NA
+"38878","Methyl 2-(12-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-2(10),4,6,8,14,16,18-heptaen-20-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Oxo-7,12,12b,13-tetrahydro-6H-pyrido[1,2-a",NA,"COC(=O)CC1C2C3=C(CC(=O)N2C4=CC=CC=C14)C5=CC=CC=C5N3","FOPDNKXARDERIV-UHFFFAOYSA-N",390771,NA,"PDBC38878","688534","Present",NA,NA
+"38879","Methyl 2-(2,2,4,4-tetramethyl-3-oxocyclobutylidene)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2,2,4,4-tetramethyl-3-oxocyclobutylidene)hydrazinecarboxylate",NA,"CC1(C(=NNC(=O)OC)C(C1=O)(C)C)C","QZSZSDOXROKPFH-UHFFFAOYSA-N",369749,NA,"PDBC38879","641840","Present",NA,NA
+"38880","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,"COC(=O)C1(CC2=C(C1)C=C3CCCC3=C2)CC4=CC5=C(CCC5)C=C4","IABSGNLEIGJVPE-UHFFFAOYSA-N",384734,NA,"PDBC38880","674969","Present",NA,NA
+"38881","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate",NA,"COC(=O)C1(CC2=C(C1O)C3=C(CCC3)C=C2)CC4=CC5=C(CCC5)C=C4","OWCFGVVLNAWNMG-UHFFFAOYSA-N",385704,NA,"PDBC38881","677050","Present",NA,NA
+"38882","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-hydroxy-2-indanecarboxylate",NA,"COC(=O)C1(CC2=CC=CC=C2C1O)CC3=CC4=C(CCC4)C=C3","JTNOFAUZAFMDAA-UHFFFAOYSA-N",382682,NA,"PDBC38882","670330","Present",NA,NA
+"38883","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,5,6,7-hexahydro-s-indacene-2-carboxylate",NA,"COC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC5=C(CCC5)C=C4","OJPPMCOCOQWCNP-UHFFFAOYSA-N",384730,NA,"PDBC38883","674966","Present",NA,NA
+"38884","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-1-oxo-1,2,3,6,7,8-hexahydro-as-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"as-Indacene-2-carboxylic acid, 1,2,3,6,7,8-hexahydro- 2-...",NA,"COC(=O)C1(CC2=C(C1=O)C3=C(CCC3)C=C2)CC4=CC5=C(CCC5)C=C4","YKSOYPDYFJXGDF-UHFFFAOYSA-N",385670,NA,"PDBC38884","677016","Present",NA,NA
+"38885","Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2,3-dihydro-1H-inden-5-ylmethyl)-2-indanecarboxylate",NA,"COC(=O)C1(CC2=CC=CC=C2C1)CC3=CC4=C(CCC4)C=C3","GKCKRAPAMUQVKU-UHFFFAOYSA-N",382693,NA,"PDBC38885","670341","Present",NA,NA
+"38886","Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2,4-dinitrophenyl)sulfinylbuta-2,3-dienoate",NA,"COC(=O)C(=C=C)S(=O)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","DCOLBCFJIUBFBA-UHFFFAOYSA-N",361729,NA,"PDBC38886","624971","Present",NA,NA
+"38887","Methyl 2-(2,4-dioxopentan-3-yl)-3,6-dihydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2,4-dioxopentan-3-yl)-3,6-dihydroxybenzoate",NA,"CC(=O)C(C1=C(C=CC(=C1C(=O)OC)O)O)C(=O)C","IJFHMXJRIPGZJR-UHFFFAOYSA-N",359536,NA,"PDBC38887","620519","Present",NA,NA
+"38888","Methyl 2-(2,5-dioxo-7,8-dihydro-6H-chromen-4-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2,5-dioxo-7,8-dihydro-6H-chromen-4-yl)acetate",NA,"COC(=O)CC1=CC(=O)OC2=C1C(=O)CCC2","XBVPBYSDEREVKC-UHFFFAOYSA-N",364135,NA,"PDBC38888","629807","Present",NA,NA
+"38889","Methyl 2-(2-((3,4-dimethylanilino)carbonyl)-7-hydroxy-4H-chromen-4-ylidene)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-((3,4-dimethylanilino)carbonyl)-7-hydroxy-4H-chromen-4-ylidene)hydrazinecarboxylate",NA,"CC1=C(C=C(C=C1)NC(=O)C2=CC(=NNC(=O)OC)C3=C(O2)C=C(C=C3)O)C","KDJBJIXYCVWETL-CJLVFECKSA-N",135499256,NA,"PDBC38889","647111","Present",NA,NA
+"38890","Methyl 2-(2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methoxy-3-oxopropyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methoxy-3-oxopropyl)benzoate",NA,"COC(=O)C1=CC=CC=C1CC(CC2=CC3=C(CCC3)C=C2)C(=O)OC","SIIWIPKLSNSSHP-UHFFFAOYSA-N",382645,NA,"PDBC38890","670293","Present",NA,NA
+"38891","Methyl 2-(2-(2,4-bis(hydroxy(oxido)amino)anilino)-1-((3-hydroxy-4-oxo-4H-pyran-2-yl)methyl)-2-oxoethylidene)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[(Z)-[1-(2,4-dinitroanilino)-3-(3-hydroxy-4-oxopyran-2-yl)-1-oxopropan-2-ylidene]amino]carbamate",NA,"COC(=O)NN=C(CC1=C(C(=O)C=CO1)O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","HEVHFUMBXZGJEX-ZDLGFXPLSA-N",5918279,NA,"PDBC38891","644765","Present",NA,NA
+"38892","Methyl 2-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)-3-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-(2-methyl-1,3-dioxolan-2-yl)ethyl)-3-oxobutanoate",NA,"CC(=O)C(CCC1(OCCO1)C)C(=O)OC","BDRVLXIJQJLSSU-UHFFFAOYSA-N",373313,NA,"PDBC38892","649459","Present",NA,NA
+"38893","Methyl 2-(2-(3,4-dichloroanilino)-2-oxoethyl)-4-(2-ethyl-6-isopropylanilino)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-(3,4-dichloroanilino)-2-oxoethyl)-4-(2-ethyl-6-isopropylanilino)-3,4-dioxobutanoate",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)OC","CVXATYQXHDGXNY-UHFFFAOYSA-N",366772,NA,"PDBC38893","635545","Present",NA,NA
+"38894","Methyl 2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-4-(2-methoxyanilino)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-4-(2-methoxyanilino)-3,4-dioxobutanoate",NA,"COC1=CC=CC=C1NC(=O)C(=O)C(C2=CSC(=N2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC","OVMHGDGCPAZSJH-UHFFFAOYSA-N",370975,NA,"PDBC38894","644781","Present",NA,NA
+"38895","Methyl 2-(2-acetamidophenyl)-4-oxo-4-phenylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-acetamidophenyl)-4-oxo-4-phenylbutanoate",NA,"CC(=O)NC1=CC=CC=C1C(CC(=O)C2=CC=CC=C2)C(=O)OC","RWKSNOWEOSMOSZ-UHFFFAOYSA-N",360050,NA,"PDBC38895","621848","Present",NA,NA
+"38896","Methyl 2-(2-aminothiazol-4-yl)-3,4-dioxo-4-[(5-sulfanyl-4H-1,2,4-triazol-3-yl)amino]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-aminothiazol-4-yl)-3,4-dioxo-4-[(5-sulfanyl-4H-1,2,4-triazol-3-yl)amino]butanoate",NA,"COC(=O)C(C1=CSC(=N1)N)C(=O)C(=O)NC2=NC(=S)NN2","HJBOCSLWBMHNHH-UHFFFAOYSA-N",3001878,NA,"PDBC38896","642019","Present",NA,NA
+"38897","Methyl 2-(2-anilino-6-chloropurin-9-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-anilino-6-chloro-purin-9-yl)acetate",NA,"COC(=O)CN1C=NC2=C1N=C(N=C2Cl)NC3=CC=CC=C3","TYEJVTLASJBZCZ-UHFFFAOYSA-N",385889,NA,"PDBC38897","677290","Present",NA,NA
+"38898","Methyl 2-(2-benzyl-3-methoxy-3-oxopropyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-benzyl-3-methoxy-3-oxopropyl)benzoate",NA,"COC(=O)C1=CC=CC=C1CC(CC2=CC=CC=C2)C(=O)OC","KXYNIWSTCAWPES-UHFFFAOYSA-N",385643,NA,"PDBC38898","676990","Present",NA,NA
+"38899","Methyl 2-(2-bromo-4,5-dimethoxyphenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-bromo-4,5-dimethoxyphenylacetate",NA,"COC1=C(C=C(C(=C1)CC(=O)OC)Br)OC","UIVBNMQTXLCVTF-UHFFFAOYSA-N",366735,NA,"PDBC38899","635457","Present",NA,NA
+"38900","Methyl 2-(2-methoxy-2-oxoethyl)-3-oxo-2,3,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b(5H)-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-methoxy-2-oxoethyl)-3-oxo-2,5,6,11-tetrahydro-1H-indolizino[8,7-b]indole-11b-carboxylate",NA,"COC(=O)CC1CC2(C3=C(CCN2C1=O)C4=CC=CC=C4N3)C(=O)OC","HTQIXMOSAIFIRX-UHFFFAOYSA-N",372191,NA,"PDBC38900","647141","Present",NA,NA
+"38901","Methyl 2-(2-methoxycarbonylanilino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-{[2-(methoxycarbonyl)phenyl]amino}benzoate",NA,"COC(=O)C1=CC=CC=C1NC2=CC=CC=C2C(=O)OC","JLSSXSAGWDRWFB-UHFFFAOYSA-N",397346,NA,"PDBC38901","704956","Present",NA,NA
+"38902","Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-nitrophenyl)sulfinylbuta-2,3-dienoate",NA,"COC(=O)C(=C=C)S(=O)C1=CC=CC=C1[N+](=O)[O-]","GEBFEMXUNDNPRU-UHFFFAOYSA-N",361728,NA,"PDBC38902","624970","Present",NA,NA
+"38903","Methyl 2-(3,4-dichlorophenyl)-4-quinazolinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3,4-dichlorophenyl)-4-quinazolinecarboxylate",NA,"COC(=O)C1=NC(=NC2=CC=CC=C21)C3=CC(=C(C=C3)Cl)Cl","NDPRJGKBCKBXNH-UHFFFAOYSA-N",362932,NA,"PDBC38903","627408","Present",NA,NA
+"38904","Methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate",NA,"COC(=O)CCC1=CC2=C(C(=C1)O)OC(C2C(=O)OC)C3=CC(=C(C=C3)O)O","OSQXDMXNVSJFCV-UHFFFAOYSA-N",384751,NA,"PDBC38904","675004","Present",NA,NA
+"38905","Methyl 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787794///NSC787798",NA,"COC(=O)C=CC1=CC2=C(C(=C1)O)OC(C2C(=O)OC)C3=CC(=C(C=C3)O)O","HDONJQIYHGHIJV-ZZXKWVIFSA-N",5857314,NA,"PDBC38905","787794///787798","Present",NA,NA
+"38906","Methyl 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,"COC1=C(C=C(C=C1)C2CC(=C(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC)OC","UWKNAXVVWDCIIA-UHFFFAOYSA-N",360155,NA,"PDBC38906","622088","Present",NA,NA
+"38907","Methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-5-(3-methoxy-3-oxopropyl)-2,3-dihydro-1-benzofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674999///NSC675000",NA,"COC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)CCC(=O)OC)OC)C(=O)OC)OC","VYPDDYLRLTWJLX-UHFFFAOYSA-N",3776337,NA,"PDBC38907","674999///675000","Present",NA,NA
+"38908","Methyl 2-(3-((2-((ethylthio)methyl)benzoyl)(2-(1H-indol-3-yl)ethyl)amino)-3-oxopropyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-((2-((ethylthio)methyl)benzoyl)(2-(1H-indol-3-yl)ethyl)amino)-3-oxopropyl)acrylate",NA,"CCSCC1=CC=CC=C1C(=O)N(CCC2=CNC3=CC=CC=C32)C(=O)CCC(=C)C(=O)OC","SXOFCISOFVBKOC-UHFFFAOYSA-N",394458,NA,"PDBC38908","697932","Present",NA,NA
+"38909","Methyl 2-(3-(3-(hydroxy(oxido)amino)anilino)-1-methyl-3-oxopropylidene)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-(3-(hydroxy(oxido)amino)anilino)-1-methyl-3-oxopropylidene)hydrazinecarboxylate",NA,"CC(=NNC(=O)OC)CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]","KWLJAKXLJTUOSL-RIYZIHGNSA-N",9571302,NA,"PDBC38909","641859","Present",NA,NA
+"38910","Methyl 2-(3-(4-chloroanilino)-1-methyl-3-oxopropylidene)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-(4-chloroanilino)-1-methyl-3-oxopropylidene)hydrazinecarboxylate",NA,"CC(=NNC(=O)OC)CC(=O)NC1=CC=C(C=C1)Cl","SMNXRFVUHAVDJG-OVCLIPMQSA-N",6111169,NA,"PDBC38910","641868","Present",NA,NA
+"38911","Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-ethoxy-3-oxo-2-(triphenylphosphoranylidene)propanoyl)benzoate",NA,"CCOC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C(=O)OC","OARBMTDZDXDRRV-UHFFFAOYSA-N",378998,NA,"PDBC38911","662767","Present",NA,NA
+"38912","Methyl 2-(3-hydroxy-6,7-dimethyl-2-quinoxalinyl)-4-(4-(hydroxy(oxido)amino)anilino)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-hydroxy-6,7-dimethyl-quinoxalin-2-yl)-4-(4-nitroanilino)-3,4-dioxo-butanoate",NA,"CC1=CC2=C(C=C1C)N=C(C(=O)N2)C(C(=O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC","WEWYFGNDCXOALE-UHFFFAOYSA-N",370976,NA,"PDBC38912","644782","Present",NA,NA
+"38913","Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxo-4-(2-toluidino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(2-methylphenyl)amino]-2-(6-nitro-3-oxo-3,4-dihydroquinoxalin-2-yl)-3,4-dioxobutanoate",NA,"CC1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC","VPTLVUHZPYJLOO-UHFFFAOYSA-N",369844,NA,"PDBC38913","642041","Present",NA,NA
+"38914","Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxo-4-(4-toluidino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxo-4-(4-toluidino)butanoate",NA,"CC1=CC=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC","RAGNDLSPJURXAF-UHFFFAOYSA-N",369834,NA,"PDBC38914","642031","Present",NA,NA
+"38915","Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-(3-(hydroxy(oxido)amino)anilino)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-hydroxy-6-nitro-quinoxalin-2-yl)-4-(3-nitroanilino)-3,4-dioxo-butanoate",NA,"COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","SQHPFUOMSJZINT-UHFFFAOYSA-N",369845,NA,"PDBC38915","642042","Present",NA,NA
+"38916","Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-(4-(hydroxy(oxido)amino)anilino)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-hydroxy-6-nitro-quinoxalin-2-yl)-4-(4-nitroanilino)-3,4-dioxo-butanoate",NA,"COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","DLTZSFGVXZRAMZ-UHFFFAOYSA-N",369859,NA,"PDBC38916","642055","Present",NA,NA
+"38917","Methyl 2-(3-methoxy-2-(2-methylbenzyl)-3-oxopropyl)-5-methylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-methoxy-2-(2-methylbenzyl)-3-oxopropyl)-5-methylbenzoate",NA,"CC1=CC(=C(C=C1)CC(CC2=CC=CC=C2C)C(=O)OC)C(=O)OC","CDVMJIHYSQQTGH-UHFFFAOYSA-N",385641,NA,"PDBC38917","676988","Present",NA,NA
+"38918","Methyl 2-(3-methoxy-2-(3-methylbenzyl)-3-oxopropyl)-5-methylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(3-methoxy-2-(3-methylbenzyl)-3-oxopropyl)-5-methylbenzoate",NA,"CC1=CC(=CC=C1)CC(CC2=C(C=C(C=C2)C)C(=O)OC)C(=O)OC","HVUQYOHRPAQDRZ-UHFFFAOYSA-N",385642,NA,"PDBC38918","676989","Present",NA,NA
+"38919","Methyl 2-(3-methoxy-3-oxo-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propyl)-5,6,7,8-tetrahydro-1-naphthalenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-[3-methoxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-5-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1CCCC2)CC(CC3=CC4=C(CCCC4)C=C3)C(=O)OC","GKFXMNJGHSNROE-UHFFFAOYSA-N",385653,NA,"PDBC38919","676999","Present",NA,NA
+"38920","Methyl 2-(4,8-dimethyl-7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(4,8-dimethyl-7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"CC1=C2CCCC2=C(C3=C1CC4(C3=O)C(CN=N4)C5=CC=CC=C5C(=O)OC)C","LINJHLJVJTZHFG-UHFFFAOYSA-N",386189,NA,"PDBC38920","677811","Present",NA,NA
+"38921","Methyl 2-(4-bromo-2-thienyl)-5-cyano-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(4-bromothiophen-2-yl)-5-cyano-1H-pyrrole-3-carboxylate",NA,"COC(=O)C1=C(NC(=C1)C#N)C2=CC(=CS2)Br","AZYSSXQXNGPHLZ-UHFFFAOYSA-N",395470,NA,"PDBC38921","700033","Present",NA,NA
+"38922","Methyl 2-(4-bromophenyl)-2-hydroperoxy-5-oxo-furan-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(4-bromophenyl)-2-hydroperoxy-5-oxo-furan-3-carboxylate",NA,"COC(=O)C1=CC(=O)OC1(C2=CC=C(C=C2)Br)OO","YGVJADOWJUYOJD-UHFFFAOYSA-N",391994,NA,"PDBC38922","691783","Present",NA,NA
+"38923","Methyl 2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzofuran-3-carboxylic acid, 2,3-dihydro- 2-(4-hydroxy-...///NSC674996///2-Propenoic acid, 3-[2,3-dihydro-2-(4-hydroxy- 3-methoxy...",NA,"COC1=CC(=CC2=C1OC(C2C(=O)OC)C3=CC(=C(C=C3)O)OC)C=CC(=O)OC","TUMXSJCAHHPAFR-VMPITWQZSA-N",6157056,NA,"PDBC38923","674908///674996///687453","Present",NA,NA
+"38924","Methyl 2-(4-hydroxyphenoxy)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK166985",NA,"CC(C(=O)OC)OC1=CC=C(C=C1)O","UUYSCNGPNOYZMC-UHFFFAOYSA-N",366926,NA,"PDBC38924","636090","Present",NA,NA
+"38925","Methyl 2-(5-((methylsulfonyl)oxy)-1-pentynyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5-((methylsulfonyl)oxy)-1-pentynyl)benzoate",NA,"COC(=O)C1=CC=CC=C1C#CCCCOS(=O)(=O)C","SSJDDZFPOKBJIG-UHFFFAOYSA-N",379172,NA,"PDBC38925","663584","Present",NA,NA
+"38926","Methyl 2-(5-(hydroxy(oxido)amino)-3-oxo-2-phenyl-2,3-dihydro-4-pyridazinyl)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5-(hydroxy(oxido)amino)-3-oxo-2-phenyl-2,3-dihydro-4-pyridazinyl)hydrazinecarboxylate",NA,"COC(=O)NNC1=C(C=NN(C1=O)C2=CC=CC=C2)[N+](=O)[O-]","AUZKHCZIHKJIDP-UHFFFAOYSA-N",3822841,NA,"PDBC38926","641821","Present",NA,NA
+"38927","Methyl 2-(5-(methoxyimino)-1-hexynyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5-(methoxyimino)-1-hexynyl)benzoate",NA,"CC(=NOC)CCC#CC1=CC=CC=C1C(=O)OC","ZYZQDFPRTVHELM-FOWTUZBSSA-N",9571441,NA,"PDBC38927","663582","Present",NA,NA
+"38928","Methyl 2-(5-bromo-2-thienyl)-5-cyano-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5-bromothiophen-2-yl)-5-cyano-1H-pyrrole-3-carboxylate",NA,"COC(=O)C1=C(NC(=C1)C#N)C2=CC=C(S2)Br","AKPFKOYLXTVTSF-UHFFFAOYSA-N",395471,NA,"PDBC38928","700034","Present",NA,NA
+"38929","Methyl 2-(5-ethyl-2-oxopiperidin-4-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5-ethyl-2-oxopiperidin-4-yl)acetate",NA,"CCC1CNC(=O)CC1CC(=O)OC","NEELWIRTFMLGCA-UHFFFAOYSA-N",359211,NA,"PDBC38929","619920","Present",NA,NA
+"38930","Methyl 2-(5-imino-4H-1,2,4-dithiazol-2-ium-3-yl)-4-(3-methylanilino)-3,4-dioxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5-imino-4H-1,2,4-dithiazol-2-ium-3-yl)-4-(3-methylanilino)-3,4-dioxo-butanoate",NA,NA,NA,NA,NA,"PDBC38930","642020","Present",NA,NA
+"38931","Methyl 2-(5-oxo-3-tricyclo[2.2.1.02,6]heptanyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(5-oxo-3-tricyclo[2.2.1.02,6]heptanyl)acetate",NA,"COC(=O)CC1C2CC3C1C3C2=O","ZCPMHACPPFBFPN-UHFFFAOYSA-N",380731,NA,"PDBC38931","666438","Present",NA,NA
+"38932","Methyl 2-(6-amino-5-cyano-3-nitro-4-phenyl-4H-pyran-2-yl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6-amino-5-cyano-3-nitro-4-phenyl-4H-pyran-2-yl)benzoate",NA,"COC(=O)C1=CC=CC=C1C2=C(C(C(=C(O2)N)C#N)C3=CC=CC=C3)[N+](=O)[O-]","NBJPQWIOYNFAGB-UHFFFAOYSA-N",401624,NA,"PDBC38932","715321","Present",NA,NA
+"38933","Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3-hydrazono-4-oxo-4-(2,4,5-trichloroanilino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3-hydrazono-4-oxo-4-(2,4,5-trichloroanilino)butanoate",NA,"COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=NN)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl","HBHZLDRKDHJHNJ-NTFVMDSBSA-N",9571367,NA,"PDBC38933","648656","Present",NA,NA
+"38934","Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-((6-methyl-2,3-dihydro-1,3-benzothiazol-2-yl)amino)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6-chloro-3-hydroxyquinoxalin-2-yl)-4-(6-methyl...",NA,"CC1=CC2=C(C=C1)NC(S2)NC(=O)C(=O)C(C3=NC4=C(C=C(C=C4)Cl)NC3=O)C(=O)OC","VIXLQFGANPCWNB-UHFFFAOYSA-N",372894,NA,"PDBC38934","648606","Present",NA,NA
+"38935","Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-(3-hydroxyanilino)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-2-(6-chloro-3-hydroxyquinoxalin-2-yl)- 4-(3-hydro...",NA,"COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC(=CC=C3)O","PZESIQYXROYGRY-UHFFFAOYSA-N",369267,NA,"PDBC38935","640998","Present",NA,NA
+"38936","Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-(4-ethoxyanilino)-3-hydrazono-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6-chloro-3-hydroxy-2-quinoxalinyl)-4-(4-ethoxyanilino)-3-hydrazono-4-oxobutanoate",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=NN)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","NENMRBJMLICCCH-IMRQLAEWSA-N",5900389,NA,"PDBC38936","648652","Present",NA,NA
+"38937","Methyl 2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-4-(2,4-dinitroanilino)-3,4-dioxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-4-(2,4-dinitroanilino)-3,4-dioxo-butanoate",NA,"COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","KMPWEKGMEWBRSH-UHFFFAOYSA-N",369268,NA,"PDBC38937","640999","Present",NA,NA
+"38938","Methyl 2-(6-chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-4-[(6-nitro-1,3-benzothiazol-2-yl)amino]-3,4-dioxobutanoate",NA,"COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-]","CWIVUEJPXVKMBJ-UHFFFAOYSA-N",369266,NA,"PDBC38938","640997","Present",NA,NA
+"38939","Methyl 2-(6-formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxy-benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6-formyl-1,3-benzodioxol-5-yl)-3,4,5-trimethoxybenzoate",NA,"COC1=C(C(=C(C(=C1)C(=O)OC)C2=CC3=C(C=C2C=O)OCO3)OC)OC","FBSHJSDEBRZUQN-UHFFFAOYSA-N",372307,NA,"PDBC38939","647366","Present",NA,NA
+"38940","Methyl 2-(6-methoxy-6-methyl-3H-1,2-dioxin-3-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(6-methoxy-6-methyl-3H-1,2-dioxin-3-yl)acetate",NA,"CC1(C=CC(OO1)CC(=O)OC)OC","MLWTVQDCBPSJKF-UHFFFAOYSA-N",380167,NA,"PDBC38940","665605","Present",NA,NA
+"38941","Methyl 2-(6-oxospiro[1,2,3,8-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-(6-oxospiro[1,2,3,8-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"COC(=O)C1=CC=CC=C1C2CN=NC23CC4=C(C3=O)C=CC5=C4CCC5","BEVZCKSDDOQXIV-UHFFFAOYSA-N",385687,NA,"PDBC38941","677033","Present",NA,NA
+"38942","Methyl 2-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-(7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"COC(=O)C1=CC=CC=C1C2CN=NC23CC4=C(C3=O)C=C5CCCC5=C4","DKRRNCHPNPUSKH-UHFFFAOYSA-N",386180,NA,"PDBC38942","677802","Present",NA,NA
+"38943","Methyl 2-(8-oxospiro[1,2,3,6-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-(8-oxospiro[1,2,3,6-tetrahydro-as-indacene-7,5'-3,4-dihydropyrazole]-4'-yl)benzoate",NA,"COC(=O)C1=CC=CC=C1C2CN=NC23CC4=C(C3=O)C5=C(CCC5)C=C4","BOTBPMPLRZLKRF-UHFFFAOYSA-N",386188,NA,"PDBC38943","677810","Present",NA,NA
+"38944","Methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[1-(9H-fluoren-9-ylmethoxycarbonylsulfanylmethyl)-2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-[[3-(9H-fluoren-9-ylmethoxycarbonylsulfanyl)-1-[(2-methoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate",NA,"COC(=O)CNC(=O)C(CSC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)CCC(C(=O)OC)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46","JFGHFCCXZAAPHY-UHFFFAOYSA-N",378793,NA,"PDBC38944","661969","Present",NA,NA
+"38945","Methyl 2-(acetylamino)-3-(1-acetyl-1H-1,2,3-benzotriazol-5-yl)-2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(acetylamino)-3-(1-acetyl-1H-1,2,3-benzotriazol-5-yl)-2-methylpropanoate",NA,"CC(=O)NC(C)(CC1=CC2=C(C=C1)N(N=N2)C(=O)C)C(=O)OC","YHSGHWDLEUMGQT-UHFFFAOYSA-N",379700,NA,"PDBC38945","664573","Present",NA,NA
+"38946","Methyl 2-(anilinocarbamoyl)-1-(2-chloro-3-pyridyl)-4,6-diphenyl-4H-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(anilinocarbamoyl)-1-(2-chloro-3-pyridyl)-4,6-diphenyl-4H-pyridine-3-carboxylate",NA,"COC(=O)C1=C(N(C(=CC1C2=CC=CC=C2)C3=CC=CC=C3)C4=C(N=CC=C4)Cl)C(=O)NNC5=CC=CC=C5","UGXSAVCHGLFGQE-UHFFFAOYSA-N",392307,NA,"PDBC38946","692583","Present",NA,NA
+"38947","Methyl 2-(benzo[D]oxazol-2-YL)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACT10228",NA,"COC(=O)CC1=NC2=CC=CC=C2O1","MNHNHFXKAPDHJQ-UHFFFAOYSA-N",365131,NA,"PDBC38947","632232","Present",NA,NA
+"38948","Methyl 2-(benzoyl-2-methylanilino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[benzoyl(2-methylphenyl)amino]benzoate",NA,"CC1=CC=CC=C1N(C2=CC=CC=C2C(=O)OC)C(=O)C3=CC=CC=C3","XKQZSXWWBSSKHS-UHFFFAOYSA-N",362098,NA,"PDBC38948","625627","Present",NA,NA
+"38949","Methyl 2-(benzoylamino)-3-(4-(5-(2-(benzoylamino)-3-methoxy-3-oxopropyl)-2-methoxyphenoxy)phenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzamido-3-[4-[5-(2-benzamido-3-methoxy-3-oxo-propyl)-2-methoxy-phenoxy]phenyl]propanoate",NA,"COC1=C(C=C(C=C1)CC(C(=O)OC)NC(=O)C2=CC=CC=C2)OC3=CC=C(C=C3)CC(C(=O)OC)NC(=O)C4=CC=CC=C4","SQNLQLFWFGUYMB-UHFFFAOYSA-N",394215,NA,"PDBC38949","697497","Present",NA,NA
+"38950","Methyl 2-(benzoylamino)-3-(4-chlorophenyl)-3-(dimethoxyphosphoryl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(benzoylamino)-3-(4-chlorophenyl)-3-(dimethoxyphosphoryl)propanoate",NA,"COC(=O)C(C(C1=CC=C(C=C1)Cl)P(=O)(OC)OC)NC(=O)C2=CC=CC=C2","PHLNZBHKQDKZBX-UHFFFAOYSA-N",369435,NA,"PDBC38950","641205","Present",NA,NA
+"38951","Methyl 2-(benzylideneamino)-2-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(benzylideneamino)-2-phenylpropanoate",NA,"CC(C1=CC=CC=C1)(C(=O)OC)N=CC2=CC=CC=C2","TXWAZSTVJZXZAH-UHFFFAOYSA-N",381757,NA,"PDBC38951","668829","Present",NA,NA
+"38952","Methyl 2-(benzylideneamino)-4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(benzylideneamino)-4-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrol-3-yl]butanoate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC(C=C2)CCC(C(=O)OC)N=CC3=CC=CC=C3","IWBQIMFWJBSYEE-UHFFFAOYSA-N",401739,NA,"PDBC38952","715469","Present",NA,NA
+"38953","Methyl 2-(benzylideneamino)-4-cyclopent-2-en-1-ylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-cyclopent-2-en-1-yl-2-{[(1e)-phenylmethylidene]amino}butanoate",NA,"COC(=O)C(CCC1CCC=C1)N=CC2=CC=CC=C2","MRFMREBRFTXQMX-UHFFFAOYSA-N",401736,NA,"PDBC38953","715466","Present",NA,NA
+"38954","Methyl 2-(bis(4-chlorophenyl)methylene)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(bis(4-chlorophenyl)methylene)hydrazinecarboxylate",NA,"COC(=O)NN=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl","ISAVJAUSLFYEAU-UHFFFAOYSA-N",392317,NA,"PDBC38954","692593","Present",NA,NA
+"38955","Methyl 2-(carbamoylamino)-1-hydroxy-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-(carbamoylamino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate",NA,"CC1=C(C2(CCOC2=O)C(N1NC(=O)N)(C)O)C(=O)OC","LCRYSXFUVYHJIP-UHFFFAOYSA-N",364555,NA,"PDBC38955","630975","Present",NA,NA
+"38956","Methyl 2-(cyanoamino)-5-hexadecyl-6-hydroxy-4-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(cyanoamino)-5-hexadecyl-6-hydroxy-4-pyrimidinecarboxylate",NA,"CCCCCCCCCCCCCCCCC1=C(N=C(NC1=O)NC#N)C(=O)OC","ZHBSMQLSYFSJDE-UHFFFAOYSA-N",135483401,NA,"PDBC38956","635410","Present",NA,NA
+"38957","Methyl 2-(cyanoamino)-6-hydroxy-5-methyl-4-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(cyanoamino)-6-hydroxy-5-methyl-4-pyrimidinecarboxylate",NA,"CC1=C(N=C(NC1=O)NC#N)C(=O)OC","MBVVESNNYINVKL-UHFFFAOYSA-N",135503458,NA,"PDBC38957","635118","Present",NA,NA
+"38958","Methyl 2-(diethoxyphosphoryl)-4-(3-hydroxyanilino)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(diethoxyphosphoryl)-4-(3-hydroxyanilino)-3,4-dioxobutanoate",NA,"CCOP(=O)(C(C(=O)C(=O)NC1=CC(=CC=C1)O)C(=O)OC)OCC","JPCOBXXWQUIDQT-UHFFFAOYSA-N",372920,NA,"PDBC38958","648632","Present",NA,NA
+"38959","Methyl 2-(hydroxyimino)-6-methyl-4-oxo-3-(oxo(2-toluidino)acetyl)-5-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(hydroxyimino)-6-methyl-4-oxo-3-(oxo(2-toluidino)acetyl)-5-heptenoate",NA,"CC1=CC=CC=C1NC(=O)C(=O)C(C(=O)C=C(C)C)C(=NO)C(=O)OC","KMLZUNUPNDWMJH-HKWRFOASSA-N",9571315,NA,"PDBC38959","642010","Present",NA,NA
+"38960","Methyl 2-(hydroxymethyl)-2-methylhexahydropyrrolo[1,2-b]isoxazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[1,2-b]isoxazole-3-carboxylic acid, hexahydro-2- ...",NA,"CC1(C(C2CCCN2O1)C(=O)OC)CO","IEGITOVAHPUMQE-UHFFFAOYSA-N",354905,NA,"PDBC38960","607620","Present",NA,NA
+"38961","Methyl 2-(indan-5-ylmethyl)-3,6,7,8-tetrahydro-1H-as-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(indan-5-ylmethyl)-3,6,7,8-tetrahydro-1H-as-indacene-2-carboxylate",NA,"COC(=O)C1(CC2=C(C1)C3=C(CCC3)C=C2)CC4=CC5=C(CCC5)C=C4","CLTWCRYMQAXOCP-UHFFFAOYSA-N",385705,NA,"PDBC38961","677051","Present",NA,NA
+"38962","Methyl 2-(nonan-5-ylidene)hydrazine-1-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-BUTYLPENTYLIDENE)HYDRAZINECARBODITHIOIC ACID, METHYL ...",NA,"CCCCC(=NNC(=S)SC)CCCC","WWSXHBONVDBAHQ-UHFFFAOYSA-N",3310000,NA,"PDBC38962","251184","Present",NA,NA
+"38963","Methyl 2-(tert-butylhydrazono)-5-(2,5-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-4,5-dioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-(tert-butylhydrazinylidene)-5-(2,5-dimethylanilino)-4,5-dioxo-3-(3-oxo-4H-quinoxalin-2-yl)pentanoate",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=NNC(C)(C)C)C(=O)OC","KFDJXIPHCKWCHN-OFWBYEQRSA-N",6110628,NA,"PDBC38963","646803","Present",NA,NA
+"38964","Methyl 2-[(1,3-dichloro-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)sulfanyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(1,3-dichloro-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)sulfanyl]acetate",NA,"COC(=O)CSC1CC(=O)C2=C(SC(=C12)Cl)Cl","MKAYYMTYOMNDPZ-UHFFFAOYSA-N",397150,NA,"PDBC38964","704551","Present",NA,NA
+"38965","Methyl 2-[(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(1-oxo-3,6,7,8-tetrahydro-2H-as-indacen-2-yl)methyl]benzoate",NA,"COC(=O)C1=CC=CC=C1CC2CC3=C(C2=O)C4=C(CCC4)C=C3","HRHNNDVMPVTJIG-UHFFFAOYSA-N",385700,NA,"PDBC38965","677046","Present",NA,NA
+"38966","Methyl 2-[(1R,2R,6S,7S)-3,5-dithiatricyclo[5.2.1.02,6]dec-8-en-4-ylidene]-1,3-dithiole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(1R,2R,6S,7S)-3,5-dithiatricyclo[5.2.1.02,6]dec-8-en-4-ylidene]-1,3-dithiole-4-carboxylate",NA,"COC(=O)C1=CSC(=C2SC3C4CC(C3S2)C=C4)S1","XBWIMVLZHLPQGG-SWOGREBESA-N",403847,NA,"PDBC38966","719381","Present",NA,NA
+"38967","Methyl 2-[(1S,4E,9S,10S,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(1S,4E,9S,10S,12S,14R)-10,14-dihydroxy-1,5,9-trimethyl-15-oxabicyclo[9.3.1]pentadec-4-en-12-yl]prop-2-enoate",NA,"CC1CCCC(=CCCC2(C(CC(C(C1O)O2)C(=C)C(=O)OC)O)C)C","ZFLFURLGKKNRBY-HFOFVVMNSA-N",24204963,NA,"PDBC38967","733755","Present",NA,NA
+"38968","Methyl 2-[(1S,5S,7S,8R,16S)-5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(1S,5S,7S,8R,16S)-5,11-diacetyloxy-13-(furan-3-yl)-16-hydroxy-6,6,8,12-tetramethyl-17-methylidene-15-oxo-2,14-dioxatetracyclo[7.7.1.01,12.03,8]heptadecan-7-yl]-2-hydroxyacetate",NA,"CC(=O)OC1CC2C(=C)C3(C1(C(OC(=O)C3O)C4=COC=C4)C)OC5C2(C(C(C(C5)OC(=O)C)(C)C)C(C(=O)OC)O)C","NKHYHRMLCJNKHW-FENVKJGXSA-N",360417,NA,"PDBC38968","622492","Present",NA,NA
+"38969","Methyl 2-[(2,4-dinitrophenyl)sulfinylmethyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2,4-dinitrophenyl)sulfinylmethyl]bicyclo[2.2.1]hepta-2,5-diene-3-carboxylate",NA,"COC(=O)C1=C(C2CC1C=C2)CS(=O)C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","XREOYMHNQGMZAC-UHFFFAOYSA-N",361731,NA,"PDBC38969","624973","Present",NA,NA
+"38970","Methyl 2-[(2-acetamido-6-aminohexanoyl)amino]-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2-acetamido-6-aminohexanoyl)amino]-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoy",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)OC","MTJGQALNMDGDHT-UHFFFAOYSA-N",11980932,NA,"PDBC38970","686303","Present",NA,NA
+"38971","Methyl 2-[(2-acetamidoacetyl)amino]-3-[2-[3-[2-[(2-acetamidoacetyl)amino]-3-methoxy-3-oxo-propyl]indolin-2-yl]-1H-indol-3-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2-acetamidoacetyl)amino]-3-[2-[3-[2-[(2-acetamidoacetyl)amino]-3-methoxy-3-oxopropyl]-1H-indol-2-yl]-2,3-dihydro-1H-indol-3-yl]propanoate",NA,"CC(=O)NCC(=O)NC(CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CC(C(=O)OC)NC(=O)CNC(=O)C)C(=O)OC","NAYAKQBNRFHPQA-UHFFFAOYSA-N",392238,NA,"PDBC38971","692371","Present",NA,NA
+"38972","Methyl 2-[(2-chloro-3-pyridyl)carbamoyl]-4-(2,4-dimethoxyphenyl)-1-(4-methoxy-2-nitro-phenyl)-6-(p-tolyl)-4h-pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyridinecarboxylic acid, 2-[[(2-chloro-3-pyridinyl)ami...",NA,"CC1=CC=C(C=C1)C2=CC(C(=C(N2C3=C(C=C(C=C3)OC)[N+](=O)[O-])C(=O)NC4=C(N=CC=C4)Cl)C(=O)OC)C5=C(C=C(C=C5)OC)OC","OCTDARMVCSNXNY-UHFFFAOYSA-N",392300,NA,"PDBC38972","692576","Present",NA,NA
+"38973","Methyl 2-[(2-iodoacetyl)carbamoylcarbamoylamino]-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783686",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)NC(=O)NC(=O)CI","CQKQWOZWMWDJHR-UHFFFAOYSA-N",155805509,NA,"PDBC38973","783686","Present",NA,NA
+"38974","Methyl 2-[(2-{[(3-amino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2-{[(3-amino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]hexanoate",NA,"CCCCC(C(=O)OC)SC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)NC2=NNC(=N2)N","LEJYVRSJMLWXKX-UHFFFAOYSA-N",378476,NA,"PDBC38974","661076","Present",NA,NA
+"38975","Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4,5-trimethoxyphenyl)-1H-pyrrole-3-carboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=C(N2)NN=CC3=C(C=CC=C3Cl)Cl)C(=O)OC","ILKOFSMUTKQSAL-OPEKNORGSA-N",45029264,NA,"PDBC38975","745940","Present",NA,NA
+"38976","Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(3,4-dimethoxyphenyl)-1H-pyrrole-3-carboxylate",NA,"COC1=C(C=C(C=C1)C2=CC(=C(N2)NN=CC3=C(C=CC=C3Cl)Cl)C(=O)OC)OC","RMHKXLLWBNVOEL-BHGWPJFGSA-N",45028155,NA,"PDBC38976","741300","Present",NA,NA
+"38977","Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methoxyphenyl)-1H-pyrrole-3-carboxylate",NA,"COC1=CC=C(C=C1)C2=CC(=C(N2)NN=CC3=C(C=CC=C3Cl)Cl)C(=O)OC","JVDJXOLMFJIQMD-FOKLQQMPSA-N",45028154,NA,"PDBC38977","741299","Present",NA,NA
+"38978","Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-(4-methylsulfonylphenyl)-1H-pyrrole-3-carboxylate",NA,"COC(=O)C1=C(NC(=C1)C2=CC=C(C=C2)S(=O)(=O)C)NN=CC3=C(C=CC=C3Cl)Cl","XCICKCJSTYKXFQ-FOKLQQMPSA-N",45029262,NA,"PDBC38978","745938","Present",NA,NA
+"38979","Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-5-phenyl-1H-pyrrole-3-carboxylate",NA,"COC(=O)C1=C(NC(=C1)C2=CC=CC=C2)NN=CC3=C(C=CC=C3Cl)Cl","LBQYMYYMDKAZPF-SSDVNMTOSA-N",45029263,NA,"PDBC38979","745939","Present",NA,NA
+"38980","Methyl 2-[(2R,5E,13S)-2-hydroxy-2,6,10-trimethyl-11-oxo-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2R,5E,13S)-2-hydroxy-2,6,10-trimethyl-11-oxo-15-oxabicyclo[10.2.1]pentadec-5-en-13-yl]prop-2-enoate",NA,"CC1CCCC(=CCCC(C2CC(C(C1=O)O2)C(=C)C(=O)OC)(C)O)C","YPPLIGVHRCUXEZ-DHRBKBQKSA-N",5473307,NA,"PDBC38980","725004","Present",NA,NA
+"38981","Methyl 2-[(2R,5R)-1-benzoyl-2-cyano-5-(2-nitroethyl)piperidin-4-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2R,5R)-1-benzoyl-2-cyano-5-(2-nitroethyl)piperidin-4-yl]acetate",NA,"COC(=O)CC1CC(N(CC1CC[N+](=O)[O-])C(=O)C2=CC=CC=C2)C#N","CXHODSPIINFOKX-DLDKDUQYSA-N",358298,NA,"PDBC38981","618240","Present",NA,NA
+"38982","Methyl 2-[(2S,3aR,5R,6aR)-5-[(E,1S)-1-hydroxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(2S,3aR,5R,6aR)-5-[(E,1S)-1-hydroxyhex-3-enyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]acetate",NA,"CCC=CCC(C1CC2C(O1)CC(O2)CC(=O)OC)O","FITZFEJIAICUEZ-KTRHLVFXSA-N",5469985,NA,"PDBC38982","695219","Present",NA,NA
+"38983","Methyl 2-[(3-acetamido-2,4-dihydroxy-5-oxo-pentyl)-benzyloxycarbonyl-amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(3-acetamido-2,4-dihydroxy-5-oxo-pentyl)-benzyloxycarbonyl-amino]acetate",NA,"CC(=O)NC(C(CN(CC(=O)OC)C(=O)OCC1=CC=CC=C1)O)C(C=O)O","GNURKGQKXGWCSC-UHFFFAOYSA-N",392878,NA,"PDBC38983","693931","Present",NA,NA
+"38984","Methyl 2-[(3-hydroxyquinoxalin-2-yl)methyl]-4-(4-methoxy-2-nitro-anilino)-3,4-dioxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(3-hydroxyquinoxalin-2-yl)methyl]-4-(4-methoxy-2-nitro-anilino)-3,4-dioxo-butanoate",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)C(CC2=NC3=CC=CC=C3NC2=O)C(=O)OC)[N+](=O)[O-]","LVEIKMXYLWMYPH-UHFFFAOYSA-N",369561,NA,"PDBC38984","641425","Present",NA,NA
+"38985","Methyl 2-[(4-methylphenyl)sulfonyloxy-phenyl-lambda3-iodanyl]-2-(triphenyl-lambda5-phosphanylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(4-methylphenyl)sulfonyloxy-phenyl-lambda3-iodanyl]-2-(triphenyl-lambda5-phosphanylidene)acetate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC","JCVZNIJGAOVPCQ-UHFFFAOYSA-N",404462,NA,"PDBC38985","720674","Present",NA,NA
+"38986","Methyl 2-[(5-carbamoyl-6-methylsulfanyl-4-oxo-3-phenyl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3.4-dihydro-2-methoxycarbonylmethylthio-6-methylthio-4-o...",NA,"COC(=O)CSC1=NC2=C(C(=C(N2)SC)C(=O)N)C(=O)N1C3=CC=CC=C3","GMGWXHOWYQXHQW-UHFFFAOYSA-N",378538,NA,"PDBC38986","661172","Present",NA,NA
+"38987","Methyl 2-[(5R)-5-ethyl-2-oxopiperidin-4-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(5R)-5-ethyl-2-oxopiperidin-4-yl]acetate",NA,"CCC1CNC(=O)CC1CC(=O)OC","NEELWIRTFMLGCA-JAMMHHFISA-N",359212,NA,"PDBC38987","619921","Present",NA,NA
+"38988","Methyl 2-[(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(6-azido-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylamino]acetate",NA,"CC1(OC2C(C(OC2O1)CNCC(=O)OC)N=[N+]=[N-])C","RGCIXWFJORIFLZ-UHFFFAOYSA-N",392879,NA,"PDBC38988","693932","Present",NA,NA
+"38989","Methyl 2-[(6-chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)methyl]-4-[(2-nitrophenyl)amino]-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(6-chloro-3-oxo-4H-quinoxalin-2-yl)methyl]-4-(2-nitroanilino)-3,4-dioxo-butanoate",NA,"COC(=O)C(CC1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC=CC=C3[N+](=O)[O-]","JMVAKDKBTGCEPQ-UHFFFAOYSA-N",369818,NA,"PDBC38989","642013","Present",NA,NA
+"38990","Methyl 2-[(E)-(1-methyl-1,3-dihydrocyclopenta[a]naphthalen-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(1-methyl-1,3-dihydrocyclopenta[a]naphthalen-2-ylidene)methyl]benzoate",NA,"CC1C(=CC2=CC=CC=C2C(=O)OC)CC3=C1C4=CC=CC=C4C=C3","WSPBEHDWGJNAIU-CPNJWEJPSA-N",5470021,NA,"PDBC38990","696650","Present",NA,NA
+"38991","Methyl 2-[(E)-(3-acetamido-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(3-acetamido-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-methylfuro[3,2-b]pyrrole-5-carboxylate",NA,"CC(=O)NN1C(=O)C(=CC2=CC3=C(O2)C=C(N3C)C(=O)OC)SC1=S","XEXZCMPBHVNXRV-LFYBBSHMSA-N",24204997,NA,"PDBC38991","733918","Present",NA,NA
+"38992","Methyl 2-[(E)-(3-oxo-1,6,7,8-tetrahydro-as-indacen-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(3-oxo-1,6,7,8-tetrahydro-as-indacen-2-ylidene)methyl]benzoate",NA,"COC(=O)C1=CC=CC=C1C=C2CC3=C(C2=O)C=CC4=C3CCC4","TUWSHYVJCJVEQK-RVDMUPIBSA-N",5916958,NA,"PDBC38992","678388","Present",NA,NA
+"38993","Methyl 2-[(E)-(4,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-[(4,6-dimethyl-1-oxo-2-indanylidene) met...",NA,"CC1=CC(=C(C=C1)C=C2CC3=C(C=C(C=C3C2=O)C)C)C(=O)OC","GZXJWIVWNUYCDG-MHWRWJLKSA-N",6477508,NA,"PDBC38993","678383","Present",NA,NA
+"38994","Methyl 2-[(E)-(4,6-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(4,6-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,"CC1=CC(=C2CC(=CC3=CC=CC=C3C(=O)OC)C(=O)C2=C1)C","MYOYKPSCVFGEAR-XNTDXEJSSA-N",5914128,NA,"PDBC38994","678366","Present",NA,NA
+"38995","Methyl 2-[(E)-(4,8-dimethyl-3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(4,8-dimethyl-3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]benzoate",NA,"CC1=C2CCCC2=C(C3=C1CC(=CC4=CC=CC=C4C(=O)OC)C3=O)C","SXOHYDPJAQEFHP-LFIBNONCSA-N",6477511,NA,"PDBC38995","678387","Present",NA,NA
+"38996","Methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]-5-methyl-benzoate",NA,"CC1=CC(=C(C=C1)C=C2CC3=C(C2=O)C=C(C(=C3)C)C)C(=O)OC","UXLOMCGGBKKQDP-LICLKQGHSA-N",5924840,NA,"PDBC38996","678369","Present",NA,NA
+"38997","Methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(5,6-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,"CC1=CC2=C(C=C1C)C(=O)C(=CC3=CC=CC=C3C(=O)OC)C2","BSXNVBYANSTUHP-MHWRWJLKSA-N",6477503,NA,"PDBC38997","678376","Present",NA,NA
+"38998","Methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoate",NA,"CC1=C(C(=CC=C1)C=C2CC3=CC(=CC(=C3C2=O)C)C)C(=O)OC","SBAHJKQCPDZPER-LICLKQGHSA-N",6159317,NA,"PDBC38998","678371","Present",NA,NA
+"38999","Methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(5,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,"CC1=CC(=C2C(=C1)CC(=CC3=CC=CC=C3C(=O)OC)C2=O)C","GZWUHCCYNIAIRS-MHWRWJLKSA-N",6477500,NA,"PDBC38999","678364","Present",NA,NA
+"39000","Methyl 2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]-6-methyl-benzoate",NA,"CC1=C(C(=CC=C1)C=C2CC3=C(C2=O)C(=C(C=C3)C)C)C(=O)OC","YGIUSPVUBJXTBV-LICLKQGHSA-N",5903906,NA,"PDBC39000","678373","Present",NA,NA
+"39001","Methyl 2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-(6,7-dimethyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,"CC1=C(C2=C(CC(=CC3=CC=CC=C3C(=O)OC)C2=O)C=C1)C","UQEMHQIMUFOAKW-MHWRWJLKSA-N",6477505,NA,"PDBC39001","678380","Present",NA,NA
+"39002","Methyl 2-[(E)-[(cycloheptylamino)-(p-tolylsulfonylamino)methylene]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(E)-[(cycloheptylamino)-(p-tolylsulfonylamino)methylene]amino]benzoate",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=NC2CCCCCC2)NC3=CC=CC=C3C(=O)OC","HYMBCMZTOVRHBU-UHFFFAOYSA-N",390175,NA,"PDBC39002","687322","Present",NA,NA
+"39003","Methyl 2-[(E)-[7-[8-[(Z)-(1-benzyl-2-methoxy-2-oxo-ethyl)iminomethyl]-1,6,7-trihydroxy-5-isopropyl-3-methyl-2-naphthyl]-2,3,8-trihydroxy-4-isopropyl-6-methyl-1-naphthyl]methyleneamino]-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-phenyl-2-[[2,3,8-trihydroxy-6-methyl-4-propan-2-yl-7-[1,6,7-trihydroxy-8-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)iminomethyl]-3-methyl-5-propan-2-ylnaphthalen-2-yl]naphthalen-1-yl]methylideneam",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC(CC3=CC=CC=C3)C(=O)OC)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC(CC6=CC=CC=C6)C(=O)OC)O)O)C(C)C)O)O","IQVCJMSEVYNHFH-UHFFFAOYSA-N",374355,NA,"PDBC39003","651927","Present",NA,NA
+"39004","Methyl 2-[(Z)-(1-oxoindan-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(Z)-(1-oxoindan-2-ylidene)methyl]benzoate",NA,"COC(=O)C1=CC=CC=C1C=C2CC3=CC=CC=C3C2=O","LTOWHIPDSPGRMQ-KAMYIIQDSA-N",6477494,NA,"PDBC39004","677056","Present",NA,NA
+"39005","Methyl 2-[(Z)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(Z)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,"CC1=C2C(=CC=C1)CC(=CC3=CC=CC=C3C(=O)OC)C2=O","SKXZCKXMWMOHDB-GDNBJRDFSA-N",6310370,NA,"PDBC39005","677054","Present",NA,NA
+"39006","Methyl 2-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[1-(benzenesulfonyl)indol-2-yl]prop-2-enoate",NA,"COC(=O)C(=C)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3","XUYDGZPYHLHIDJ-UHFFFAOYSA-N",392519,NA,"PDBC39006","693035","Present",NA,NA
+"39007","Methyl 2-[1-benzyl-2-(cyanoamino)-5-oxo-4H-imidazol-4-yl]pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[1-benzyl-2-(cyanoamino)-5-oxo-4H-imidazol-4-yl]pentanoate",NA,"CCCC(C1C(=O)N(C(=N1)NC#N)CC2=CC=CC=C2)C(=O)OC","MMLCNGCBFLHGEG-UHFFFAOYSA-N",373950,NA,"PDBC39007","650982","Present",NA,NA
+"39008","Methyl 2-[1-cyano-3-(2-nitroethyl)piperidin-4-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[1-cyano-3-(2-nitroethyl)piperidin-4-yl]acetate",NA,"COC(=O)CC1CCN(CC1CC[N+](=O)[O-])C#N","BUKCXEOGJVKFAW-UHFFFAOYSA-N",359223,NA,"PDBC39008","619932","Present",NA,NA
+"39009","Methyl 2-[19-(2-methoxy-2-oxoethyl)-11-oxo-10,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),4,6,8,13,15,17-heptaen-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[19-(2-methoxy-2-oxoethyl)-11-oxo-10,12-diazapentacyclo[10.7.0.02,10.04,9.013,18]nonadeca-1(19),4,6,8,13,15,17-heptaen-3-yl]acetate",NA,"COC(=O)CC1C2C3=C(C4=CC=CC=C4N3C(=O)N2C5=CC=CC=C15)CC(=O)OC","BLCGEGXEZPZFNQ-UHFFFAOYSA-N",392214,NA,"PDBC39009","692347","Present",NA,NA
+"39010","Methyl 2-[2'-(5'-Chlorobenzothiazolyl)thio]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2'-(5'-Chlorobenzothiazolyl)thio]propanoate",NA,"CC(C(=O)OC)SC1=NC2=C(S1)C=CC(=C2)Cl","PKRYSGKDHHKOMQ-UHFFFAOYSA-N",391590,NA,"PDBC39010","691045","Present",NA,NA
+"39011","Methyl 2-[2-(2-pyrazinyl)vinyl]phenyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AT-051/41206012",NA,"COC1=CC=CC=C1C=CC2=NC=CN=C2","SJLUMZJBWQRCBV-VOTSOKGWSA-N",5929728,NA,"PDBC39011","176651","Present",NA,NA
+"39012","Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-4-[(5-thioxo-1,4-dihydro-1,2,4-triazol-3-yl)amino]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxo-4-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)amino]butanoate",NA,"COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)NC5=NC(=S)NN5","VEKOERAWPIQDHH-UHFFFAOYSA-N",3004319,NA,"PDBC39012","644780","Present",NA,NA
+"39013","Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-4-[2-nitro-4-(trifluoromethyl)anilino]-3,4-dioxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-4-[2-nitro-4-(trifluoromethyl)anilino]-3,4-dioxobutanoate",NA,"COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)NC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]","RFXGTFMPZFBPSY-UHFFFAOYSA-N",370966,NA,"PDBC39013","644771","Present",NA,NA
+"39014","Methyl 2-[2-(benzyloxycarbonylaminomethyl)-1,3-dioxolan-2-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-(benzyloxycarbonylaminomethyl)-1,3-dioxolan-2-yl]acetate",NA,"COC(=O)CC1(OCCO1)CNC(=O)OCC2=CC=CC=C2","LYRJAEACJSQUQF-UHFFFAOYSA-N",390244,NA,"PDBC39014","687536","Present",NA,NA
+"39015","Methyl 2-[2-(cyanoamino)-1-[2-(1H-indol-3-yl)ethyl]-5-oxo-4H-imidazol-4-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-(cyanoamino)-1-[2-(1H-indol-3-yl)ethyl]-5-oxo-4H-imidazol-4-yl]acetate",NA,"COC(=O)CC1C(=O)N(C(=N1)NC#N)CCC2=CNC3=CC=CC=C32","WMUVJZQIPKZOEC-UHFFFAOYSA-N",375248,NA,"PDBC39015","654637","Present",NA,NA
+"39016","Methyl 2-[2-[2-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl]-5-[1-(chloromethyl)heptyl]thiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(1-chlorooctan-2-yl)-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate",NA,"CCCCCCC(CCl)C1=C(N=C(S1)C2=CSC(=N2)CCNC(=O)OC(C)(C)C)C(=O)OC","XKVRFQGJQJYOLV-UHFFFAOYSA-N",384603,NA,"PDBC39016","674615","Present",NA,NA
+"39017","Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]indol-2-yl]-1H-indol-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-[3-(2-methoxy-2-oxoethyl)-1-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]indol-2-yl]-1H-indol-3-yl]acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=C2C4=C(C5=CC=CC=C5N4)CC(=O)OC)CC(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C","QEFOUADVBQEZMG-UHFFFAOYSA-N",392224,NA,"PDBC39017","692357","Present",NA,NA
+"39018","Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]indolin-2-yl]-1H-indol-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydroindol-3-yl]acetate",NA,"COC(=O)CC1C(N(C2=CC=CC=C12)C3C(C(C(C(O3)CO)O)O)O)C4=C(C5=CC=CC=C5N4)CC(=O)OC","LFXBWOVEVRYJEL-UHFFFAOYSA-N",392220,NA,"PDBC39018","692353","Present",NA,NA
+"39019","Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1-[3,4,5-trihydroxy-6-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]indol-2-yl]-1H-indol-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-[3-(2-methoxy-2-oxoethyl)-1-[3,4,5-trihydroxy-6-[[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]indol-2-yl]-1H-indol-3-yl]acetate",NA,"CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)N3C4=CC=CC=C4C(=C3C5=C(C6=CC=CC=C6N5)CC(=O)OC)CC(=O)OC)O)O)O)OC(=O)C)OC(=O)C)OC(=O)C","HPIMABRTKTZFES-UHFFFAOYSA-N",392221,NA,"PDBC39019","692354","Present",NA,NA
+"39020","Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1H-indol-2-yl]-1H-indol-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-[3-(2-methoxy-2-oxo-ethyl)-1H-indol-2-yl]-1H-indol-3-yl]acetate",NA,"COC(=O)CC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CC(=O)OC","GYWJQUMLHUUBEH-UHFFFAOYSA-N",390772,NA,"PDBC39020","688535","Present",NA,NA
+"39021","Methyl 2-[2-[3-(cyclohexen-1-yl)-5-phenyl-pyrazol-1-yl]thiazol-4-yl]-4-(2,6-dichloro-4-nitro-anilino)-3,4-dioxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-[3-(cyclohexen-1-yl)-5-phenylpyrazol-1-yl]-1,3-thiazol-4-yl]-4-(2,6-dichloro-4-nitroanilino)-3,4-dioxobutanoate",NA,"COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CCCCC3)C4=CC=CC=C4)C(=O)C(=O)NC5=C(C=C(C=C5Cl)[N+](=O)[O-])Cl","UIBISCTXYRHCFE-UHFFFAOYSA-N",370941,NA,"PDBC39021","644746","Present",NA,NA
+"39022","Methyl 2-[2-[3-hydroxy-3-(2-methoxy-2-oxo-ethyl)indol-2-yl]-1H-indol-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-[3-hydroxy-3-(2-methoxy-2-oxo-ethyl)indol-2-yl]-1H-indol-3-yl]acetate",NA,"COC(=O)CC1=C(NC2=CC=CC=C21)C3=NC4=CC=CC=C4C3(CC(=O)OC)O","WBWVDTAYKSZQHO-UHFFFAOYSA-N",392215,NA,"PDBC39022","692348","Present",NA,NA
+"39023","Methyl 2-[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]propanoylamino]-4-methyl-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]propanoylamino]pentanoate",NA,"CC(C)CC(C(=O)OC)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C","BXGALXNBJGDCHK-UHFFFAOYSA-N",381826,NA,"PDBC39023","668898","Present",NA,NA
+"39024","Methyl 2-[2-oxo-5-phenyl-7-(trifluoromethyl)oxazolo[5,4-b]pyridin-1-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-oxo-5-phenyl-7-(trifluoromethyl)oxazolo[5,4-b]pyridin-1-yl]acetate",NA,"COC(=O)CN1C2=C(N=C(C=C2C(F)(F)F)C3=CC=CC=C3)OC1=O","WBGZGNSCXJSAJN-UHFFFAOYSA-N",394922,NA,"PDBC39024","699023","Present",NA,NA
+"39025","Methyl 2-[25,26,27-trihydroxy-11,19-bis(2-methoxy-2-oxoethyl)-7,15,23-trimethyl-3,11,19-triazatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13(26),14,16,21(25),22-nonaen-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, 2,2',2''-[25,26,27-trihydroxy-7,15,23- trim...",NA,"CC1=CC2=C(C(=C1)CN(CC3=CC(=CC(=C3O)CN(CC4=C(C(=CC(=C4)C)CN(C2)CC(=O)OC)O)CC(=O)OC)C)CC(=O)OC)O","FDZLVBBSQQQRQA-UHFFFAOYSA-N",395593,NA,"PDBC39025","700323","Present",NA,NA
+"39026","Methyl 2-[3-(1,1-dimethoxyethyl)-4-oxoazetidin-2-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[3-(1,1-dimethoxyethyl)-4-oxoazetidin-2-yl]acetate",NA,"CC(C1C(NC1=O)CC(=O)OC)(OC)OC","HBMXNKHTZMNUSH-UHFFFAOYSA-N",373019,NA,"PDBC39026","648846","Present",NA,NA
+"39027","Methyl 2-[3-(2-methylsulfanyl-2-thioxo-acetyl)-5-propanoyl-phenyl]-2-oxo-ethanedithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene-1,3-bis(ethanedithioic acid), .alpha.,.alpha.'- ...",NA,"CCC(=O)C1=CC(=CC(=C1)C(=O)C(=S)SC)C(=O)C(=S)SC","RHXJKHMQVJWPIB-UHFFFAOYSA-N",387896,NA,"PDBC39027","682127","Present",NA,NA
+"39028","Methyl 2-[3-[(4-chlorophenyl)carbamoylsulfamoyl]-4-oxo-2-phenyl-chromen-8-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[3-[(4-chlorophenyl)carbamoylsulfamoyl]-4-oxo-2-phenyl-chromen-8-yl]acetate",NA,"COC(=O)CC1=C2C(=CC=C1)C(=O)C(=C(O2)C3=CC=CC=C3)S(=O)(=O)NC(=O)NC4=CC=C(C=C4)Cl","FOPWGLHHUGBPRV-UHFFFAOYSA-N",382412,NA,"PDBC39028","669973","Present",NA,NA
+"39029","Methyl 2-[3-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoylamino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl ((3-((5-((4-chlorophenoxy)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)propanoyl)amino)acetate",NA,"COC(=O)CNC(=O)CCSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","NZNHOACSXSTUKS-UHFFFAOYSA-N",395274,NA,"PDBC39029","699752","Present",NA,NA
+"39030","Methyl 2-[3-methoxy-2-[(4-methylphenyl)methyl]-3-oxopropyl]-5-methylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[3-methoxy-2-(4-methylbenzyl)-3-oxopropyl]-5-methylbenzoate",NA,"CC1=CC=C(C=C1)CC(CC2=C(C=C(C=C2)C)C(=O)OC)C(=O)OC","QVAOJWNFWVPXOP-UHFFFAOYSA-N",385640,NA,"PDBC39030","676987","Present",NA,NA
+"39031","Methyl 2-[33,34,35,36-tetrahydroxy-11,19,27-tris(2-methoxy-2-oxoethyl)-7,15,23,31-tetramethyl-3,11,19,27-tetrazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(32),5,7,9(36),13,15,17(35),21(34),22,24,29(33),30-dodecaen-3-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[33,34,35,36-tetrahydroxy-11,19,27-tris(2-methoxy-2-oxoethyl)-7,15,23,31-tetramethyl-3,11,19,27-tetrazapentacyclo[27.3.1.15,9.113,17.121,25]hexatriaconta-1(32),5,7,9(36),13,15,17(35),21(34),2",NA,"CC1=CC2=C(C(=C1)CN(CC3=CC(=CC(=C3O)CN(CC4=CC(=CC(=C4O)CN(CC5=C(C(=CC(=C5)C)CN(C2)CC(=O)OC)O)CC(=O)OC)C)CC(=O)OC)C)CC(=O)OC)O","DQQGWBUKYBYUJJ-UHFFFAOYSA-N",395595,NA,"PDBC39031","700325","Present",NA,NA
+"39032","Methyl 2-[4-(2-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[4-(2-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate",NA,"COC(=O)C1=CC=CC=C1C#CC#CC2=CC=CC=C2C(=O)OC","IUYJHPJPPKTVJZ-UHFFFAOYSA-N",379185,NA,"PDBC39032","663593","Present",NA,NA
+"39033","Methyl 2-[4-(3-thiophen-2-ylquinoxalin-2-yl)oxyphenyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[4-(3-thiophen-2-ylquinoxalin-2-yl)oxyphenyl]acetate",NA,"COC(=O)CC1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CS4","UMXXSPIGLAJMPO-UHFFFAOYSA-N",401473,NA,"PDBC39033","715131","Present",NA,NA
+"39034","Methyl 2-[4-[[5-[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylcarbamoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]phenyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[4-[[5-[(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methylcarbamoyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamoylamino]phenyl]acetate",NA,"CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)NC5=CC=C(C=C5)CC(=O)OC","LBYFYEXSMVOOJV-UHFFFAOYSA-N",45028432,NA,"PDBC39034","742846","Present",NA,NA
+"39035","Methyl 2-[5,6,12,13-tetracyano-9-(2-methoxy-2-oxoethyl)-2,4,7,9,11,14-hexazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[5,6,12,13-tetracyano-9-(2-methoxy-2-oxoethyl)-2,4,7,9,11,14-hexazatricyclo[8.4.0.03,8]tetradeca-1(14),3,5,7,10,12-hexaen-2-yl]acetate",NA,"COC(=O)CN1C2=NC(=C(N=C2N(C3=NC(=C(N=C31)C#N)C#N)CC(=O)OC)C#N)C#N","DYAYGEFBXOWEKB-UHFFFAOYSA-N",396370,NA,"PDBC39035","702313","Present",NA,NA
+"39036","Methyl 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1,10,10-trimethyl-4-oxo-3-oxa-5-aza-4lambda5-phosphatricyclo[5.2.1.02,6]decan-4-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[5-[3,5-bis(trifluoromethyl)phenyl]-1,10,10-trimethyl-4-oxo-3-oxa-5-aza-4lambda5-phosphatricyclo[5.2.1.02,6]decan-4-yl]acetate",NA,"CC1(C2CCC1(C3C2N(P(=O)(O3)CC(=O)OC)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C)C","ULOZRAAEDPZVES-UHFFFAOYSA-N",395326,NA,"PDBC39036","699808","Present",NA,NA
+"39037","Methyl 2-[5-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[5-bromo-2-[2-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl]thiazole-4-carboxylate",NA,"CC(C)(C)OC(=O)NCCC1=NC(=C(S1)Br)C2=NC(=CS2)C(=O)OC","CLXNTSZJLOGFNQ-UHFFFAOYSA-N",375608,NA,"PDBC39037","655430","Present",NA,NA
+"39038","Methyl 2-[6-(4-aminobenzoyl)-1,3-benzodioxol-5-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[6-(4-aminobenzoyl)-1,3-benzodioxol-5-yl]acetate",NA,"COC(=O)CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)N)OCO2","AMBXHLPSHXSSFU-UHFFFAOYSA-N",404212,NA,"PDBC39038","720379","Present",NA,NA
+"39039","Methyl 2-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-4-nitroso-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-4-nitroso-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)pro",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)OC)O)N(C7=CC(=C(C=C47)N=O)OC)C","CHTBCXVHHSLSTN-HLOSGSRESA-N",399523,NA,"PDBC39039","710386","Present",NA,NA
+"39040","Methyl 2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[(1R,9R,10S,11R,12R,19R)-4-bromo-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]-3-(1H-indol-3-yl)propa",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)OC)O)N(C7=CC(=C(C=C47)Br)OC)C.Cl","BAQXZYAEBUGIPV-SOIJWDTQSA-N",54604865,NA,"PDBC39040","714408","Present",NA,NA
+"39041","Methyl 2-[[(2Z)-2-(tert-butylhydrazono)-3-cyano-3-[4-(4-nitrophenyl)thiazol-2-yl]propanoyl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[(2Z)-2-(tert-butylhydrazinylidene)-3-cyano-3-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanoyl]amino]benzoate",NA,"CC(C)(C)NN=C(C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3C(=O)OC","WWHYZLDKKPPSLJ-ANYBSYGZSA-N",9571371,NA,"PDBC39041","649569","Present",NA,NA
+"39042","Methyl 2-[[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]amino]-3-[(E)-3-(3,4-diacetyloxyphenyl)prop-2-enoyl]oxypropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(3,4-Diacetoxycinnamoyl)amino]-3-[(3,4-diacetoxycinnamoyl)oxy]propanoic acid methyl ester",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NC(COC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C","DYNBPLCSQQIQFD-QHKWOANTSA-N",5470673,NA,"PDBC39042","703980","Present",NA,NA
+"39043","Methyl 2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]-3-phenyl-propanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C=CN=C2[N+](=O)[O-]","VQNUUFHSMPUSHU-UHFFFAOYSA-N",370712,NA,"PDBC39043","644213","Present",NA,NA
+"39044","Methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-(methoxycarbonylamino)-3H-benzimidazol-5-yl]sulfonylamino]-4-methylpentanoate",NA,"CC(C)CC(C(=O)OC)NS(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC","XUWBIXSYHNPHLE-UHFFFAOYSA-N",404120,NA,"PDBC39044","720243","Present",NA,NA
+"39045","Methyl 2-[[2-[(2-acetamido-6-aminohexanoyl)amino]-6-aminohexanoyl]amino]-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[(2-acetamido-6-aminohexanoyl)amino]-6-aminohexanoyl]amino]-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoy",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.CC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)OC","YNBPYAGOKPYLKH-UHFFFAOYSA-N",11980933,NA,"PDBC39045","686304","Present",NA,NA
+"39046","Methyl 2-[[2-[[1-[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[1-[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoate",NA,"CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl","BJBAWJLQHXAGEL-UHFFFAOYSA-N",402726,NA,"PDBC39046","716914","Present",NA,NA
+"39047","Methyl 2-[[2-[[2-[[1-[5-(2,4-dichlorophenyl)furan-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[2-[[1-[5-(2,4-dichlorophenyl)furan-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoate",NA,"CCC(C)C(C(=O)OC)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl","IDAVWTCVEQTDRN-UHFFFAOYSA-N",402727,NA,"PDBC39047","716915","Present",NA,NA
+"39048","Methyl 2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate",NA,"CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)OC","WSWCFISTZZYDRQ-UHFFFAOYSA-N",381617,NA,"PDBC39048","668434","Present",NA,NA
+"39049","Methyl 2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoyl]amino]propanoyl]amin",NA,"CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)OC","PIUPTGCHXDJEHM-UHFFFAOYSA-N",16129788,NA,"PDBC39049","668431","Present",NA,NA
+"39050","Methyl 2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoy",NA,"CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC","WHKDCRGQXMRNCR-UHFFFAOYSA-N",16129895,NA,"PDBC39050","668432","Present",NA,NA
+"39051","Methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pr",NA,"CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC","BJTSJZBHAYUPCW-UHFFFAOYSA-N",16129789,NA,"PDBC39051","668433","Present",NA,NA
+"39052","Methyl 2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-",NA,"CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NC(CC7=CNC8=CC=CC=C87)C(=O)NC(CC9=CNC1=CC=CC=C19)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OC","BEGQRGLNBFOHCH-UHFFFAOYSA-N",16129787,NA,"PDBC39052","668430","Present",NA,NA
+"39053","Methyl 2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[2-[[3-(4-hydroxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]acetate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCSC)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)OC","VJDQXFUKNZSIDY-UHFFFAOYSA-N",6712836,NA,"PDBC39053","716693","Present",NA,NA
+"39054","Methyl 2-[[2-[[2-[[3-benzyloxy-2-(tert-butoxycarbonylamino)propanoyl]amino]-3-(4-benzyloxyphenyl)propanoyl]amino]acetyl]amino]-4-methyl-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-[[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoyl]amino]-3-(4-phenylmethoxyphenyl)propanoyl]amino]acetyl]amino]pentanoate",NA,"CC(C)CC(C(=O)OC)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C","MZCIOSKIHCYJAP-UHFFFAOYSA-N",381827,NA,"PDBC39054","668899","Present",NA,NA
+"39055","Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-3-phenylpropanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Cl","PLOHWRWTCCVJHZ-UHFFFAOYSA-N",6712768,NA,"PDBC39055","710484","Present",NA,NA
+"39056","Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-4-methylsulfanylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]-4-methylsulfanylbutanoate",NA,"COC(=O)C(CCSC)NC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","BAAZDHYFOMCJRE-UHFFFAOYSA-N",6712769,NA,"PDBC39056","710485","Present",NA,NA
+"39057","Methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 2-[[2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetyl]amino]acetate",NA,"COC(=O)CNC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","BTZSPDKTAULBHA-UHFFFAOYSA-N",395267,NA,"PDBC39057","699745","Present",NA,NA
+"39058","Methyl 2-[[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoate",NA,"CC(C)CC(C(=O)OC)NC(=O)C(C(C)C)NC(=O)C1=CC=C(O1)C2=C(C=C(C=C2)Cl)Cl","UHLMGGXNZYPXPE-UHFFFAOYSA-N",402725,NA,"PDBC39058","716913","Present",NA,NA
+"39059","Methyl 2-[[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetate",NA,"COC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(O2)C3=C(C=C(C=C3)Cl)Cl","FORQRZMCKXEMAR-UHFFFAOYSA-N",402724,NA,"PDBC39059","716912","Present",NA,NA
+"39060","Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methyl-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-methylbutanoate",NA,"CC(C)C(C(=O)OC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","VOKFDUISDWJPBK-UHFFFAOYSA-N",395272,NA,"PDBC39060","699750","Present",NA,NA
+"39061","Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylpropanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)COC4=CC=C(C=C4)Cl","MLANANLYALZKPQ-UHFFFAOYSA-N",6712770,NA,"PDBC39061","710486","Present",NA,NA
+"39062","Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylsulfanylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4-methylsulfanylbutanoate",NA,"COC(=O)C(CCSC)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","MYJBPQMQDCKVOZ-UHFFFAOYSA-N",399597,NA,"PDBC39062","710488","Present",NA,NA
+"39063","Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[5-[(4-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate",NA,"COC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=C(C=C3)Cl","VRINYHQOMCMGGP-UHFFFAOYSA-N",395271,NA,"PDBC39063","699749","Present",NA,NA
+"39064","Methyl 2-[[2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoyl]amino]-2-methyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[[9-(4-methoxyphenyl)purin-6-yl]amino]-3-phenyl-propanoyl]amino]-2-methyl-propanoate",NA,"CC(C)(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC2=C3C(=NC=N2)N(C=N3)C4=CC=C(C=C4)OC","WJRGEDIYTKCXBE-UHFFFAOYSA-N",392377,NA,"PDBC39064","692661","Present",NA,NA
+"39065","Methyl 2-[[2-[bis(2-methoxy-2-oxo-ethyl)amino]cyclohexyl]-[2-[2-(tert-butoxycarbonylamino)ethylamino]-2-oxo-ethyl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[bis(2-methoxy-2-oxoethyl)amino]cyclohexyl]-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-2-oxoethyl]amino]acetate",NA,"CC(C)(C)OC(=O)NCCNC(=O)CN(CC(=O)OC)C1CCCCC1N(CC(=O)OC)CC(=O)OC","FTWMIEQHPHJYLO-UHFFFAOYSA-N",384577,NA,"PDBC39065","674591","Present",NA,NA
+"39066","Methyl 2-[[2-amino-3-(4-phenylmethoxyphenyl)propanoyl]amino]-4-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Leucine, N-[O-(phenylmethyl)-L-tyrosyl]-, methyl ester...",NA,"CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)N","CGPNWVMBMDTTMA-UHFFFAOYSA-N",424834,NA,"PDBC39066","168670","Present",NA,NA
+"39067","Methyl 2-[[2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetyl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(((2-isonicotinoylhydrazino)(oxo)acetyl)amino)benzoate",NA,"COC(=O)C1=CC=CC=C1NC(=O)C(=O)NNC(=O)C2=CC=NC=C2","SIFIASVMCYKANM-UHFFFAOYSA-N",372001,NA,"PDBC39067","646817","Present",NA,NA
+"39068","Methyl 2-[[3-(3-nitroanilino)-2,3-dioxo-propyl]sulfonylmethyl]-4-oxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[({3-[(3-nitrophenyl)amino]-2,3-dioxopropyl}sulfonyl)methyl]-4-oxopentanoate",NA,"CC(=O)CC(CS(=O)(=O)CC(=O)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC","RWZKBLVYKXKTOO-UHFFFAOYSA-N",369551,NA,"PDBC39068","641412","Present",NA,NA
+"39069","Methyl 2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[4,6-bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]acetate",NA,"CN(C1=NC(=NC(=N1)NCC(=O)OC)N(C)O)O","KAUQRWOUOJGTFF-UHFFFAOYSA-N",45029484,NA,"PDBC39069","746930","Present",NA,NA
+"39070","Methyl 2-[[4-[(5Z,10Z,14Z,19Z)-10,15,20-tris[4-[(2-methoxy-2-oxo-ethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]sulfonylamino]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[4-[10,15,20-tris[4-[(2-methoxy-2-oxoethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]sulfonylamino]acetate",NA,"COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)NCC(=O)OC)C8=CC=C(C=C8)S(=O)(=O)NCC(=O)OC)C=C4)C9=CC=C(C=C9)S(=O)(=O)NCC(=O)OC)N3","RXFLQYVYXLPLLO-UHFFFAOYSA-N",135489823,NA,"PDBC39070","681460","Present",NA,NA
+"39071","Methyl 2-[[4-[[[3-[(benzylcarbamothioylamino)methyl]phenyl]methylcarbamothioylamino]methyl]benzoyl]amino]-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[4-[[[3-[(benzylcarbamothioylamino)methyl]phenyl]methylcarbamothioylamino]methyl]benzoyl]amino]-3-phenylpropanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=S)NCC3=CC=CC(=C3)CNC(=S)NCC4=CC=CC=C4","JIERMWPONQONIW-UHFFFAOYSA-N",3005310,NA,"PDBC39071","690011","Present",NA,NA
+"39072","Methyl 2-[[4-amino-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-tritylsulfanylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Cysteine, N-[N(2)-[(phenylmethoxy)carbonyl]-L-asparagi...",NA,"COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)OCC4=CC=CC=C4","KQGBXQVGWHWPME-UHFFFAOYSA-N",327490,NA,"PDBC39072","302664","Present",NA,NA
+"39073","Methyl 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[5-(2,4-dichlorophenyl)furan-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoate",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3=CC=C(O3)C4=C(C=C(C=C4)Cl)Cl","VGHWLVAWSHJKTL-UHFFFAOYSA-N",402723,NA,"PDBC39073","716911","Present",NA,NA
+"39074","Methyl 2-[[5-benzyloxy-2-(tert-butoxycarbonylamino)-5-oxo-pentanoyl]amino]-6-(benzyloxycarbonylamino)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-phenylmethoxypentanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate",NA,"CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCCNC(=O)OCC2=CC=CC=C2)C(=O)OC","NIHZEUAXHNXVNY-UHFFFAOYSA-N",382356,NA,"PDBC39074","669826","Present",NA,NA
+"39075","Methyl 2-[[6-(4-hydroxy-2-oxo-chromen-3-yl)-2,4-dioxo-6-phenyl-hexanoyl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[6-(4-hydroxy-2-oxo-chromen-3-yl)-2,4-dioxo-6-phenyl-hexanoyl]amino]benzoate",NA,"COC(=O)C1=CC=CC=C1NC(=O)C(=O)CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","HLWSVCPTGYDDBK-UHFFFAOYSA-N",54677091,NA,"PDBC39075","647087","Present",NA,NA
+"39076","Methyl 2-acetamido-3-[1-[1-[3-(2-acetamido-3-methoxy-3-oxo-propyl)indol-1-yl]ethyl]indol-3-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-acetamido-3-[1-[1-[3-(2-acetamido-3-methoxy-3-oxopropyl)indol-1-yl]ethyl]indol-3-yl]propanoate",NA,"CC(N1C=C(C2=CC=CC=C21)CC(C(=O)OC)NC(=O)C)N3C=C(C4=CC=CC=C43)CC(C(=O)OC)NC(=O)C","KRFVEJJAWWKVPD-UHFFFAOYSA-N",392239,NA,"PDBC39076","692372","Present",NA,NA
+"39077","Methyl 2-acetamido-3-[2-[3-(2-acetamido-3-methoxy-3-oxo-propyl)-1h-indol-2-yl]-1h-indol-3-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-acetamido-3-[2-[3-(2-acetamido-3-methoxy-3-oxopropyl)-1H-indol-2-yl]-1H-indol-3-yl]propanoate",NA,"CC(=O)NC(CC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CC(C(=O)OC)NC(=O)C)C(=O)OC","VUINVNYAWNOGJG-UHFFFAOYSA-N",392209,NA,"PDBC39077","692342","Present",NA,NA
+"39078","Methyl 2-acetamido-3-[2-[3-(2-acetamido-3-methoxy-3-oxo-propyl)indolin-2-yl]-1H-indol-3-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-acetamido-3-[2-[3-(2-acetamido-3-methoxy-3-oxopropyl)-1H-indol-2-yl]-2,3-dihydro-1H-indol-3-yl]propanoate",NA,"CC(=O)NC(CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CC(C(=O)OC)NC(=O)C)C(=O)OC","RBUVMSBPJUMUHG-UHFFFAOYSA-N",392237,NA,"PDBC39078","692370","Present",NA,NA
+"39079","Methyl 2-acetamido-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-acetamido-6-aminohexanoate;8-[[4-methyl-3-[[3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-t",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.CC(=O)NC(CCCCN)C(=O)OC","WIIWOVFEVYYDKI-UHFFFAOYSA-N",11980934,NA,"PDBC39079","686305","Present",NA,NA
+"39080","Methyl 2-acetyl-5-(2-phenyl-1,3-dioxolan-2-yl)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-acetyl-5-(2-phenyl-1,3-dioxolan-2-yl)pentanoate",NA,"CC(=O)C(CCCC1(OCCO1)C2=CC=CC=C2)C(=O)OC","HUBUSXFKKSCIAR-UHFFFAOYSA-N",373312,NA,"PDBC39080","649458","Present",NA,NA
+"39081","Methyl 2-acetyl-6-(allyloxy)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-acetyl-6-(allyloxy)hexanoate",NA,"CC(=O)C(CCCCOCC=C)C(=O)OC","LQRAQSLICHLSBO-UHFFFAOYSA-N",373321,NA,"PDBC39081","649465","Present",NA,NA
+"39082","Methyl 2-acetyloxy-5-benzyl-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(acetyloxy)-5-benzyl-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"CC(=O)OC1=C(C2=C(C=C1)N(C3=C2C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5)C(=O)OC","YAGUWVJPVWWJDJ-UHFFFAOYSA-N",404316,NA,"PDBC39082","720498","Present",NA,NA
+"39083","Methyl 2-acetyloxy-5-methyl-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(acetyloxy)-5-methyl-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"CC(=O)OC1=C(C2=C(C=C1)N(C3=C2C(=O)C4=CC=CC=C4C3=O)C)C(=O)OC","VMJOJQRDSMBNTK-UHFFFAOYSA-N",404311,NA,"PDBC39083","720493","Present",NA,NA
+"39084","Methyl 2-allyl-3-hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-allyl-3-hydroxy-4-triisopropylsilyloxy-bicyclo[2.2.2]octane-5-carboxylate",NA,"CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1C(=O)OC)C(C2O)CC=C","YIBLHUPWAMRDEZ-UHFFFAOYSA-N",393379,NA,"PDBC39084","695212","Present",NA,NA
+"39085","Methyl 2-amino-2-deoxy-alpha-D-arabinofuranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-amino-2-deoxy-.alpha.-D-arabinofuranoside",NA,"COC1C(C(C(O1)CO)O)N","XHDMMHGPVFQYSU-UHFFFAOYSA-N",362355,NA,"PDBC39085","626100","Present",NA,NA
+"39086","Methyl 2-amino-5-[5-(2-amino-4-hydroxy-6-methoxycarbonyl-pyrimidin-5-yl)pentyl]-6-hydroxy-pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-amino-5-[5-(2-amino-4-methoxycarbonyl-6-oxo-1H-pyrimidin-5-yl)pentyl]-6-oxo-1H-pyrimidine-4-carboxylate",NA,"COC(=O)C1=C(C(=O)NC(=N1)N)CCCCCC2=C(N=C(NC2=O)N)C(=O)OC","OAHZWUGPCQFNLZ-UHFFFAOYSA-N",135406419,NA,"PDBC39086","635138","Present",NA,NA
+"39087","Methyl 2-amino-5-cyano-4,4-dimethoxy-3'-methyl-5'-oxo-1'-phenylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1-carboximidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-amino-5-cyano-4,4-dimethoxy-3'-methyl-5'-oxo-1'-phenylspiro[3-azabicyclo[3.1.0]hex-2-ene-6,4'-pyrazole]-1-carboximidate",NA,"CC1=NN(C(=O)C12C3(C2(C(=NC3(OC)OC)N)C(=N)OC)C#N)C4=CC=CC=C4","YEPKROLUGXJIOG-UHFFFAOYSA-N",395676,NA,"PDBC39087","700458","Present",NA,NA
+"39088","Methyl 2-benzamido-1-hydroxy-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-(benzoylamino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate",NA,"CC1=C(C2(CCOC2=O)C(N1NC(=O)C3=CC=CC=C3)(C)O)C(=O)OC","VZSAHIHZJOKJCJ-UHFFFAOYSA-N",364556,NA,"PDBC39088","630976","Present",NA,NA
+"39089","Methyl 2-benzamido-2-(3-iodo-4-methoxyphenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzamido-2-(3-iodo-4-methoxyphenyl)acetate",NA,"COC1=C(C=C(C=C1)C(C(=O)OC)NC(=O)C2=CC=CC=C2)I","KZGNVWOLJFURSX-UHFFFAOYSA-N",11281716,NA,"PDBC39089","736059","Present",NA,NA
+"39090","Methyl 2-benzamido-2-dimethoxyphosphoryl-3-(3,4,5-trimethoxyphenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzamido-2-dimethoxyphosphoryl-3-(3,4,5-trimethoxyphenyl)propanoate",NA,"COC1=CC(=CC(=C1OC)OC)CC(C(=O)OC)(NC(=O)C2=CC=CC=C2)P(=O)(OC)OC","GNYIUMVGFLUOIK-UHFFFAOYSA-N",369436,NA,"PDBC39090","641206","Present",NA,NA
+"39091","Methyl 2-benzamido-2-dimethoxyphosphoryl-3-(4-dimethylaminophenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzamido-2-dimethoxyphosphoryl-3-(4-dimethylaminophenyl)propanoate",NA,"CN(C)C1=CC=C(C=C1)CC(C(=O)OC)(NC(=O)C2=CC=CC=C2)P(=O)(OC)OC","PFGHEIHYEJBJIM-UHFFFAOYSA-N",369437,NA,"PDBC39091","641207","Present",NA,NA
+"39092","Methyl 2-benzamido-3-dimethoxyphosphoryl-3-(2,4,6-trihydroxyphenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzamido-3-dimethoxyphosphoryl-3-(2,4,6-trihydroxyphenyl)propanoate",NA,"COC(=O)C(C(C1=C(C=C(C=C1O)O)O)P(=O)(OC)OC)NC(=O)C2=CC=CC=C2","DPXHLJYLCMEQPX-UHFFFAOYSA-N",369439,NA,"PDBC39092","641209","Present",NA,NA
+"39093","Methyl 2-benzoyl-5-(2,4-dimethoxyanilino)-3-((4-methylphenyl)(oxo)acetyl)-4,5-dioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzoyl-5-(2,4-dimethoxyanilino)-3-((4-methylphenyl)(oxo)acetyl)-4,5-dioxopentanoate",NA,"CC1=CC=C(C=C1)C(=O)C(=O)C(C(C(=O)C2=CC=CC=C2)C(=O)OC)C(=O)C(=O)NC3=C(C=C(C=C3)OC)OC","QPGQKXWKGBTCRS-UHFFFAOYSA-N",369812,NA,"PDBC39093","642006","Present",NA,NA
+"39094","Methyl 2-benzoyloxy-5-[1-(4-benzoyloxy-3-chloro-5-methoxycarbonylphenyl)-4-[(3S,10S,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-3-chlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5.alpha.)-3.beta.-[4,4-Di(4'-benzoyloxy-5'-chloro-3'- m...",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)OC(=O)C6=CC=CC=C6)C(=O)OC)C7=CC(=C(C(=C7)Cl)OC(=O)C8=CC=CC=C8)C(=O)OC)C)C","GMFMFYAEICMMBT-XOFQLRNQSA-N",6712228,NA,"PDBC39094","661404","Present",NA,NA
+"39095","Methyl 2-benzyl-1-(1-methoxycarbonylbut-3-enyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-1-(1-methoxycarbonylbut-3-enyl)-4,9-dihydro-3H-pyrido[3,4-b]indole-1-carboxylate",NA,"COC(=O)C(CC=C)C1(C2=C(CCN1CC3=CC=CC=C3)C4=CC=CC=C4N2)C(=O)OC","AQSCCDQPRYKVOE-UHFFFAOYSA-N",372204,NA,"PDBC39095","647155","Present",NA,NA
+"39096","Methyl 2-benzyl-1-(2-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-1-(2-hydroxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate",NA,"COC(=O)C1CC2=C(C(N1CC3=CC=CC=C3)C4=CC=CC=C4O)NC5=CC=CC=C25","KAHZOTCOQHMRTH-UHFFFAOYSA-N",363929,NA,"PDBC39096","629417","Present",NA,NA
+"39097","Methyl 2-benzyl-1-hydroxy-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-1-hydroxy-2-indanecarboxylate",NA,"COC(=O)C1(CC2=CC=CC=C2C1O)CC3=CC=CC=C3","OAABOBLLGUGNRU-UHFFFAOYSA-N",385706,NA,"PDBC39097","677052","Present",NA,NA
+"39098","Methyl 2-benzyl-1-hydroxy-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-1-hydroxy-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate",NA,"COC(=O)C1(CC2=C(C1O)C=C3CCCC3=C2)CC4=CC=CC=C4","XJJSHDYELSHBIX-UHFFFAOYSA-N",385702,NA,"PDBC39098","677048","Present",NA,NA
+"39099","Methyl 2-benzyl-1-oxo-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-1-oxo-2-indanecarboxylate",NA,"COC(=O)C1(CC2=CC=CC=C2C1=O)CC3=CC=CC=C3","NJVFUUYNNGIIIU-UHFFFAOYSA-N",382678,NA,"PDBC39099","670326","Present",NA,NA
+"39100","Methyl 2-benzyl-1-oxo-3,6,7,8-tetrahydro-2H-as-indacene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-1-oxo-3,6,7,8-tetrahydro-2H-as-indacene-4-carboxylate",NA,"COC(=O)C1=C2CC(C(=O)C2=C3CCCC3=C1)CC4=CC=CC=C4","BGIWYCNHIMSKGG-UHFFFAOYSA-N",385723,NA,"PDBC39100","677069","Present",NA,NA
+"39101","Methyl 2-benzyl-1-oxo-3,6,7,8-tetrahydro-as-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-1-oxo-3,6,7,8-tetrahydro-as-indacene-2-carboxylate",NA,"COC(=O)C1(CC2=C(C1=O)C3=C(CCC3)C=C2)CC4=CC=CC=C4","ZNFPTZOXJLITJK-UHFFFAOYSA-N",385703,NA,"PDBC39101","677049","Present",NA,NA
+"39102","Methyl 2-benzyl-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-3,5,6,7-tetrahydro-1H-s-indacene-2-carboxylate",NA,"COC(=O)C1(CC2=C(C1)C=C3CCCC3=C2)CC4=CC=CC=C4","NMOYXNNXXABMOR-UHFFFAOYSA-N",384724,NA,"PDBC39102","674960","Present",NA,NA
+"39103","Methyl 2-benzyl-3-[[2-benzyloxy-1-(benzyloxycarbonylaminomethyl)-2-oxo-ethyl]amino]-3-oxo-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-3-[[2-benzyloxy-1-(benzyloxycarbonylaminomethyl)-2-oxo-ethyl]amino]-3-oxo-propanoate",NA,"COC(=O)C(CC1=CC=CC=C1)C(=O)NC(CNC(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3","RXSAOJNBTFTUAJ-UHFFFAOYSA-N",381438,NA,"PDBC39103","668026","Present",NA,NA
+"39104","Methyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-3-oxo-1,5,6,7-tetrahydro-s-indacene-2-carboxylate",NA,"COC(=O)C1(CC2=C(C1=O)C=C3CCCC3=C2)CC4=CC=CC=C4","BJPDQRNMKBWSCQ-UHFFFAOYSA-N",384723,NA,"PDBC39104","674959","Present",NA,NA
+"39105","Methyl 2-benzyl-4,7-dimethyl-1-oxo-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzyl-4,7-dimethyl-1-oxo-2-indanecarboxylate",NA,"CC1=C2CC(C(=O)C2=C(C=C1)C)(CC3=CC=CC=C3)C(=O)OC","LPZPSVOHIIQMJG-UHFFFAOYSA-N",385722,NA,"PDBC39105","677068","Present",NA,NA
+"39106","Methyl 2-chloro-2-cyclopropylideneacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C6H7ClO2",NA,"COC(=O)C(=C1CC1)Cl","JHISBEHOSHGCCJ-UHFFFAOYSA-N",370750,NA,"PDBC39106","644273","Present",NA,NA
+"39107","Methyl 2-chloro-3,5-dinitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-023208",NA,"COC(=O)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])Cl","RJQRHZYXGHSNKQ-UHFFFAOYSA-N",248909,NA,"PDBC39107","66543","Present",NA,NA
+"39108","Methyl 2-chloro-4-mercapto-5-(((6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)amino)sulfonyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-chloro-5-[(6-methyl-1,4,5,6-tetrahydro-1,2,4-triazin-3-yl)sulfamoyl]-4-sulfanylbenzoate",NA,"CC1CN=C(NN1)NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)OC)Cl)S","NBHVMNLGAWTPCQ-UHFFFAOYSA-N",397047,NA,"PDBC39108","704329","Present",NA,NA
+"39109","Methyl 2-cyano-2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-N-phenylethanimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-cyano-2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-N-phenylethanimidothioate",NA,"COC1=CC(=C(C#N)C(=NC2=CC=CC=C2)SC)C=C(C1=O)OC","OBXUWOAVEVYOND-UHFFFAOYSA-N",360633,NA,"PDBC39109","622939","Present",NA,NA
+"39110","Methyl 2-cyclohexylidenehydrazinecarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C8H14N2S2",NA,"CSC(=S)NN=C1CCCCC1","SXFQFCCHISQZPU-UHFFFAOYSA-N",2830668,NA,"PDBC39110","269210","Present",NA,NA
+"39111","Methyl 2-deoxy-3-O-methylhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-4,6-dimethoxy-tetrahydropyran-3-ol",NA,"COC1CC(OC(C1O)CO)OC","XHVNRGJOROHFHV-UHFFFAOYSA-N",360951,NA,"PDBC39111","623667","Present",NA,NA
+"39112","Methyl 2-diazo-3-oxo-6-prop-2-enoxyhexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-diazo-3-oxo-6-prop-2-enoxyhexanoate",NA,"COC(=O)C(=[N+]=[N-])C(=O)CCCOCC=C","YEDYFQJZDOYEBP-UHFFFAOYSA-N",76170887,NA,"PDBC39112","649462","Present",NA,NA
+"39113","Methyl 2-diazo-4-(2-methyl-1,3-dioxolan-2-yl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-1-methoxy-4-(2-methyl-1,3-dioxolan-2-yl)but-1-en-1-olate",NA,"CC1(OCCO1)CCC(=[N+]=[N-])C(=O)OC","LZOOLWHYJNIJLN-UHFFFAOYSA-N",373316,NA,"PDBC39113","649461","Present",NA,NA
+"39114","Methyl 2-diethoxyphosphoryl-4-(3-nitroanilino)-3,4-dioxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(diethoxyphosphoryl)-4-[(3-nitrophenyl)amino]-3,4-dioxobutanoate",NA,"CCOP(=O)(C(C(=O)C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OC)OCC","FFYMTZRIQKPLPP-UHFFFAOYSA-N",369847,NA,"PDBC39114","642044","Present",NA,NA
+"39115","Methyl 2-dimethoxyphosphoryl-2-hydroxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-dimethoxyphosphoryl-2-hydroxyacetate",NA,"COC(=O)C(O)P(=O)(OC)OC","OOEKGZQFBSHTCY-UHFFFAOYSA-N",397381,NA,"PDBC39115","705125","Present",NA,NA
+"39116","Methyl 2-ethyl-4-oxo-3-azetidinylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-ethyl-4-oxo-3-azetidinylcarbamate",NA,"CCC1C(C(=O)N1)NC(=O)OC","TWRBMGLPGOSZEA-UHFFFAOYSA-N",496458,NA,"PDBC39116","689618","Present",NA,NA
+"39117","Methyl 2-ethyl-5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-ethyl-5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate",NA,"CCC1(CCC2=C(C=CC(=C2C1=O)OC)OC)C(=O)OC","PBMBFPAROIJKFG-UHFFFAOYSA-N",361675,NA,"PDBC39117","624893","Present",NA,NA
+"39118","Methyl 2-ethynylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-64821",NA,"COC(=O)C1=CC=CC=C1C#C","LBMDZNOARBBHHG-UHFFFAOYSA-N",373287,NA,"PDBC39118","649436","Present",NA,NA
+"39119","Methyl 2-formyl-3-(phenylthio)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-formyl-3-(phenylthio)acrylate",NA,"COC(=O)C(=CSC1=CC=CC=C1)C=O","WAHXLKAXQSQBPR-CMDGGOBGSA-N",5386769,NA,"PDBC39119","617610","Present",NA,NA
+"39120","Methyl 2-formylbicyclo[2.2.1]hepta-2,5-diene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-norbornadiene-2-carboxylic acid, 3-formyl-, methylester",NA,"COC(=O)C1=C(C2CC1C=C2)C=O","ZQNWPPICEXPFHS-UHFFFAOYSA-N",361733,NA,"PDBC39120","624975","Present",NA,NA
+"39121","Methyl 2-hydrazino-5-{5-[6-hydrazino-4-hydroxy-2-(methoxycarbonyl)pyridin-3-yl]pentyl}-6-hydroxypyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydrazinyl-5-[5-(6-hydrazinyl-2-methoxycarbonyl-4-oxo-1H-pyridin-3-yl)pentyl]-6-oxo-1H-pyrimidine-4-carboxylate",NA,"COC(=O)C1=C(C(=O)C=C(N1)NN)CCCCCC2=C(N=C(NC2=O)NN)C(=O)OC","HBBHAWLUUVGSTL-UHFFFAOYSA-N",135483932,NA,"PDBC39121","635116","Present",NA,NA
+"39122","Methyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroperoxy-5-oxo-2-phenyl-furan-3-carboxylate",NA,"COC(=O)C1=CC(=O)OC1(C2=CC=CC=C2)OO","BCILQSGYQQGGLU-UHFFFAOYSA-N",391991,NA,"PDBC39122","691780","Present",NA,NA
+"39123","Methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-azulen-1-yl)methyl]azulene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-3-[(2-hydroxy-3-methoxycarbonyl-azulen-1-yl)methyl]azulene-1-carboxylate",NA,"COC(=O)C1=C2C=CC=CC=C2C(=C1O)CC3=C(C(=C4C3=CC=CC=C4)C(=O)OC)O","FRRBYHRUKQHQRQ-UHFFFAOYSA-N",374631,NA,"PDBC39123","652606","Present",NA,NA
+"39124","Methyl 2-hydroxy-5-(4-methoxyphenyl)-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-5-(4-methoxyphenyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC1=CC=C(C=C1)N2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC","APNKOQNTYRJXTL-UHFFFAOYSA-N",404190,NA,"PDBC39124","720341","Present",NA,NA
+"39125","Methyl 2-hydroxy-5-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-5-(2-methoxybenzyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC1=CC=CC=C1CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC","YVKQDTLXUXEOEW-UHFFFAOYSA-N",404187,NA,"PDBC39125","720338","Present",NA,NA
+"39126","Methyl 2-hydroxy-5-[(2-methoxyphenyl)methyl]-6-oxo-11H-benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-5-(2-methoxybenzyl)-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC1=CC=CC=C1CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC","QOWZSRGGWCUNEN-UHFFFAOYSA-N",403872,NA,"PDBC39126","719405","Present",NA,NA
+"39127","Methyl 2-hydroxy-5-[(3-methylphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-5-(3-methylbenzyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"CC1=CC(=CC=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC","UPTJZMGDBQKVTE-UHFFFAOYSA-N",404188,NA,"PDBC39127","720339","Present",NA,NA
+"39128","Methyl 2-hydroxy-5-[(3-methylphenyl)methyl]-6-oxo-11H-benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-5-(3-methylbenzyl)-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"CC1=CC(=CC=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC","YBRDZPRULOIWFQ-UHFFFAOYSA-N",403873,NA,"PDBC39128","719406","Present",NA,NA
+"39129","Methyl 2-hydroxy-5-[(4-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-5-(4-methoxybenzyl)-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC1=CC=C(C=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC","XQCXUOLFHSZVMY-UHFFFAOYSA-N",404193,NA,"PDBC39129","720344","Present",NA,NA
+"39130","Methyl 2-hydroxy-5-[(4-methoxyphenyl)methyl]-6-oxo-11H-benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-5-(4-methoxybenzyl)-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC1=CC=C(C=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC","PQCGQMNQQMTGRY-UHFFFAOYSA-N",403877,NA,"PDBC39130","719410","Present",NA,NA
+"39131","Methyl 2-hydroxy-5-methyl-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-5-methyl-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"CN1C2=C(C3=C1C(=O)C4=CC=CC=C4C3=O)C(=C(C=C2)O)C(=O)OC","VCJIBONNXGZBJQ-UHFFFAOYSA-N",404185,NA,"PDBC39131","720336","Present",NA,NA
+"39132","Methyl 2-hydroxy-6,11-dioxo-5-(2-phenylethyl)benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-6,11-dioxo-5-(2-phenylethyl)-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)O","JSXOGZUQZKVLMN-UHFFFAOYSA-N",404184,NA,"PDBC39132","720335","Present",NA,NA
+"39133","Methyl 2-hydroxy-6,11-dioxo-5-(pyridin-2-ylmethyl)benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-6,11-dioxo-5-(pyridin-2-ylmethyl)benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=N4)C(=O)C5=CC=CC=C5C3=O)O","XHDGNCQNMUVVNP-UHFFFAOYSA-N",404479,NA,"PDBC39133","720715","Present",NA,NA
+"39134","Methyl 2-hydroxy-6-(2-methoxycarbonyl-3-oxocycloheptyl)cyclohepta-1,6-diene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-6-(2-methoxycarbonyl-3-oxocycloheptyl)cyclohepta-1,6-diene-1-carboxylate",NA,"COC(=O)C1C(CCCCC1=O)C2=CC(=C(CCC2)O)C(=O)OC","DNCPMBDRNMUOMB-UHFFFAOYSA-N",54685704,NA,"PDBC39134","706134","Present",NA,NA
+"39135","Methyl 2-hydroxy-6-oxo-5-(2-phenylethyl)-11H-benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-6-oxo-5-(2-phenylethyl)-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3)O","NGGYYXRSEWXKHX-UHFFFAOYSA-N",403870,NA,"PDBC39135","719403","Present",NA,NA
+"39136","Methyl 2-hydroxy-6-oxo-5-(pyridin-2-ylmethyl)-11H-benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-hydroxy-6-oxo-5-(pyridin-2-ylmethyl)-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=N4)C(=O)C5=CC=CC=C5C3)O","WDDWNDZVPXIOJP-UHFFFAOYSA-N",403875,NA,"PDBC39136","719408","Present",NA,NA
+"39137","Methyl 2-isopropyl-5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-isopropyl-5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate",NA,"CC(C)C1(CCC2=C(C=CC(=C2C1=O)OC)OC)C(=O)OC","CIQYNBXONJQVIW-UHFFFAOYSA-N",361672,NA,"PDBC39137","624890","Present",NA,NA
+"39138","Methyl 2-isoquinolin-2-ium-2-yl-2-[(5Z)-5-(2-methoxy-2-oxo-ethylidene)-4-oxo-thiazol-2-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-isoquinolin-2-ium-2-yl-2-[(5Z)-5-(2-methoxy-2-oxo-ethylidene)-4-oxo-thiazol-2-yl]acetate",NA,NA,NA,NA,NA,"PDBC39138","686657","Present",NA,NA
+"39139","Methyl 2-methyl-1,3-dioxooctahydropyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-1,3-dioxooctahydropyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,"CN1C(=O)C(C2CCCN2C1=O)C(=O)OC","QSMPDBDYSZQXAG-UHFFFAOYSA-N",395092,NA,"PDBC39139","699384","Present",NA,NA
+"39140","Methyl 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-4-(triphenyl-lambda5-phosphanylidene)pyrrole-3-carboxylate",NA,"CC1=C(C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N1NC(=O)OC(C)(C)C)C(=O)OC","HFQUFWALLLSPLB-UHFFFAOYSA-N",365762,NA,"PDBC39140","633792","Present",NA,NA
+"39141","Methyl 2-methyl-1-oxo-3,4-dihydrophenanthrene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-1-oxo-3,4-dihydrophenanthrene-2-carboxylate",NA,"CC1(CCC2=C(C1=O)C=CC3=CC=CC=C23)C(=O)OC","ILMFCMIMBMTSIG-UHFFFAOYSA-N",345802,NA,"PDBC39141","403583","Present",NA,NA
+"39142","Methyl 2-methyl-5-[(2-nitrophenyl)sulfinylmethyl]-3-phenyl-3H-isoxazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-5-{[(2-nitrophenyl)sulfinyl]methyl}-3-phenyl-2,3-dihydro-1,2-oxazole-4-carboxylate",NA,"CN1C(C(=C(O1)CS(=O)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3","BOHJGMFFFQLPIO-UHFFFAOYSA-N",361734,NA,"PDBC39142","624976","Present",NA,NA
+"39143","Methyl 2-methyl-5-oxo-4-(3-phenyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3'-Phenylpyrazolyl-4')-2-methyl-3-methoxycarbonyl-5-o...",NA,"CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=C(NN=C4)C5=CC=CC=C5)C(=O)OC","ITVVVACRPNXASA-UHFFFAOYSA-N",393573,NA,"PDBC39143","695642","Present",NA,NA
+"39144","Methyl 2-methyl-6-((4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-6-((4-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate",NA,"CC1=C2CC(C(=O)C2=CC=C1)CC3=CC=CC(=C3C(=O)OC)C","ZRYSMRATPQWEPM-UHFFFAOYSA-N",386192,NA,"PDBC39144","677814","Present",NA,NA
+"39145","Methyl 2-methyl-6-[(Z)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl-6-[(Z)-(4-methyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,"CC1=C2CC(=CC3=CC=CC(=C3C(=O)OC)C)C(=O)C2=CC=C1","XRUQKUFFWLJHLG-GDNBJRDFSA-N",6477493,NA,"PDBC39145","677055","Present",NA,NA
+"39146","Methyl 2-methyl[1,2]benzoxathiino[4,3-b]pyridine-3-carboxylate 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methyl[1,2]benzoxathiino[4,3-b]pyridine-3-carboxylate 5,5-dioxide",NA,"CC1=NC2=C(C=C1C(=O)OC)S(=O)(=O)OC3=CC=CC=C32","DKPJQYKUOOFOJB-UHFFFAOYSA-N",362765,NA,"PDBC39146","627043","Present",NA,NA
+"39147","Methyl 2-methylsulfanyltricyclo[4.3.0.03,7]nonane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-methylsulfanyltricyclo[4.3.0.03,7]nonane-2-carboxylate",NA,"COC(=O)C1(C2CCC3C2CCC31)SC","ORNIXINUVFVRML-UHFFFAOYSA-N",384344,NA,"PDBC39147","674035","Present",NA,NA
+"39148","Methyl 2-oxo-1,3,3a,4,5,6,7,7a-octahydroindene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-oxo-1,3,3a,4,5,6,7,7a-octahydroindene-1-carboxylate",NA,"COC(=O)C1C2CCCCC2CC1=O","IPTBOELSAGVARS-UHFFFAOYSA-N",359513,NA,"PDBC39148","620496","Present",NA,NA
+"39149","Methyl 2-oxo-2H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-oxo-2H-cyclohepta[4,5]pyrrolo[1,2-a]pyrimidine-4-carboxylate",NA,"COC(=O)C1=CC(=O)N=C2N1C3=CC=CC=CC3=C2","PNQDTUYGPGHAHL-UHFFFAOYSA-N",363756,NA,"PDBC39149","628948","Present",NA,NA
+"39150","Methyl 2-oxo-7-(pentanoylamino)-1H-1,8-naphthyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-oxo-7-(pentanoylamino)-1H-1,8-naphthyridine-3-carboxylate",NA,"CCCCC(=O)NC1=NC2=C(C=C1)C=C(C(=O)N2)C(=O)OC","XRQVDDPIZWRPIM-UHFFFAOYSA-N",5470380,NA,"PDBC39150","700521","Present",NA,NA
+"39151","Methyl 2-phenylsulfinylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GNF-Pf-1921",NA,"COC(=O)CS(=O)C1=CC=CC=C1","JPPXZUDQIXZLIL-UHFFFAOYSA-N",84191,NA,"PDBC39151","620050","Present",NA,NA
+"39152","Methyl 2-{[2-oxo-3-(3,7,12-trioxo-3,4,7,12-tetrahydronaphtho[2,3-f]quinoxalin-2-yl)propanoyl]amino}benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[3-(3-hydroxy-7,12-dioxo-naphtho[2,3-h]quinoxalin-2-yl)-2-oxo-propanoyl]amino]benzoate",NA,"COC(=O)C1=CC=CC=C1NC(=O)C(=O)CC2=NC3=C(C=CC4=C3C(=O)C5=CC=CC=C5C4=O)NC2=O","NHSDDHZOMHNLQN-UHFFFAOYSA-N",369543,NA,"PDBC39152","641404","Present",NA,NA
+"39153","Methyl 2-{[3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-methoxy-2,4,5-trioxopentanoyl]amino}benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-{[3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-methoxy-2,4,5-trioxopentanoyl]amino}benzoate",NA,"COC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC","WXEKURFGFTYXMX-UHFFFAOYSA-N",372897,NA,"PDBC39153","648609","Present",NA,NA
+"39154","Methyl 21-acetamido-14,17,20-trioxo-3,13,16,19,30-pentazapentacyclo[21.7.0.02,10.04,9.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-12-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 21-acetamido-14,17,20-trioxo-3,13,16,19,30-pentazapentacyclo[21.7.0.02,10.04,9.024,29]triaconta-1(23),2(10),4,6,8,24,26,28-octaene-12-carboxylate",NA,"CC(=O)NC1CC2=C(C3=C(CC(NC(=O)CNC(=O)CNC1=O)C(=O)OC)C4=CC=CC=C4N3)NC5=CC=CC=C25","USZAAVFAAQGNLS-UHFFFAOYSA-N",392212,NA,"PDBC39154","692345","Present",NA,NA
+"39155","Methyl 3,3-bis(2-hydroxyethylsulfanyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,3-bis(2-hydroxyethylsulfanyl)propanoate",NA,"COC(=O)CC(SCCO)SCCO","QURABVQVDMCDQE-UHFFFAOYSA-N",383764,NA,"PDBC39155","672206","Present",NA,NA
+"39156","Methyl 3,3-difluoro-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,3-difluoro-7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylate",NA,"CC1(C2CCC1(C(=O)C2(F)F)C(=O)OC)C","WXASKDCRCVAPLV-UHFFFAOYSA-N",395362,NA,"PDBC39156","699844","Present",NA,NA
+"39157","Methyl 3,3a-diacetyl-2-hydroxy-2,5,6a-trimethyl-3,6-dihydrofuro[2,3-b]pyrrole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,3a-diacetyl-2-hydroxy-2,5,6a-trimethyl-3,6-dihydrofuro[2,3-b]pyrrole-4-carboxylate",NA,"CC1=C(C2(C(C(OC2(N1)C)(C)O)C(=O)C)C(=O)C)C(=O)OC","GUXWHVKCXPPRLQ-UHFFFAOYSA-N",6712659,NA,"PDBC39157","704821","Present",NA,NA
+"39158","Methyl 3,4,5-trihydroxy-2-[(2R)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-6-(2,3,4-trihydroxy-6-methoxycarbonylphenyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,4,5-trihydroxy-2-[(2R)-3-oxo-3-phenylmethoxy-2-(phenylmethoxycarbonylamino)propyl]sulfanyl-6-(2,3,4-trihydroxy-6-methoxycarbonylphenyl)benzoate",NA,"COC(=O)C1=CC(=C(C(=C1C2=C(C(=C(C(=C2O)O)O)SCC(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)C(=O)OC)O)O)O","KXSJHWCCLCPZQW-FQEVSTJZSA-N",397481,NA,"PDBC39158","705340","Present",NA,NA
+"39159","Methyl 3,4,5-trimethoxycinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bmse010223",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)OC","KLXHCGFNNUQTEY-AATRIKPKSA-N",735846,NA,"PDBC39159","648088","Present",NA,NA
+"39160","Methyl 3,4-di-O-benzoyl-2,6-dideoxyhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC287055",NA,"CC1C(C(CC(O1)OC)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3","POHNKSHNRFOJER-UHFFFAOYSA-N",322259,NA,"PDBC39160","287055","Present",NA,NA
+"39161","Methyl 3,4-dichloro-5-nitro-2-furoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methoxycarbonyl-3,4-dichloro-5-nitrofuran",NA,"COC(=O)C1=C(C(=C(O1)[N+](=O)[O-])Cl)Cl","AUKVSIJCWIMUMD-UHFFFAOYSA-N",147711,NA,"PDBC39161","616362","Present",NA,NA
+"39162","Methyl 3,4-dioxo-2-(2-oxoethyl)-4-(3-(trifluoromethyl)anilino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,4-dioxo-2-(2-oxoethyl)-4-(3-(trifluoromethyl)anilino)butanoate",NA,"COC(=O)C(CC=O)C(=O)C(=O)NC1=CC=CC(=C1)C(F)(F)F","NUJKHJFBLNWMAZ-UHFFFAOYSA-N",366317,NA,"PDBC39162","634666","Present",NA,NA
+"39163","Methyl 3,4-diphenyl-3H-diazete-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,4-diphenyl-3H-diazete-2-carboxylate",NA,"COC(=O)N1C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3","RMUOQWVSSUOLKY-UHFFFAOYSA-N",391917,NA,"PDBC39163","691597","Present",NA,NA
+"39164","Methyl 3,5,6-trichlorothieno[3,2-b]thiophene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,5,6-trichlorothieno[3,2-b]thiophene-2-carboxylate",NA,"COC(=O)C1=C(C2=C(S1)C(=C(S2)Cl)Cl)Cl","QPGYVUKNBXOAFE-UHFFFAOYSA-N",387502,NA,"PDBC39164","681313","Present",NA,NA
+"39165","Methyl 3,5-bis(4-methoxyphenyl)-4,6-dioxo-1-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,5-bis(4-methoxyphenyl)-4,6-dioxo-1-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate",NA,"COC1=CC=C(C=C1)C2(C3C(C(N2)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=C(C=C5)OC)C(=O)OC","YPDMOUDXMDKCDH-UHFFFAOYSA-N",360221,NA,"PDBC39165","622218","Present",NA,NA
+"39166","Methyl 3,5-bis[4-(4-hydroxyphenyl)phenyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,5-bis[4-(4-hydroxyphenyl)phenyl]benzoate",NA,"COC(=O)C1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)O)C4=CC=C(C=C4)C5=CC=C(C=C5)O","KTZQQTOBJWUPJK-UHFFFAOYSA-N",395728,NA,"PDBC39166","700527","Present",NA,NA
+"39167","Methyl 3,5-bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,5-bis[[3,5-bis[(4-bromophenyl)methoxy]phenyl]methoxy]benzoate",NA,"COC(=O)C1=CC(=CC(=C1)OCC2=CC(=CC(=C2)OCC3=CC=C(C=C3)Br)OCC4=CC=C(C=C4)Br)OCC5=CC(=CC(=C5)OCC6=CC=C(C=C6)Br)OCC7=CC=C(C=C7)Br","DVTUWKLQXMHBSP-UHFFFAOYSA-N",395729,NA,"PDBC39167","700528","Present",NA,NA
+"39168","Methyl 3,5-di-O-(4-chlorobenzyl)-alpha-D-ribofuranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,5-di-O-(4-chlorobenzyl)-.alpha.-D-ribofuranoside",NA,"COC1C(C(C(O1)COCC2=CC=C(C=C2)Cl)OCC3=CC=C(C=C3)Cl)O","UFRYXHSGDCMKGK-UHFFFAOYSA-N",362376,NA,"PDBC39168","626120","Present",NA,NA
+"39169","Methyl 3,5-diamino-1H-pyrazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE15512",NA,"COC(=O)C1=C(NN=C1N)N","DBRGFYZSJHOBGU-UHFFFAOYSA-N",361749,NA,"PDBC39169","625015","Present",NA,NA
+"39170","Methyl 3,5-dichloro-2-hydroxybenzenesulfinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,5-dichloro-2-hydroxybenzenesulfinate",NA,"COS(=O)C1=C(C(=CC(=C1)Cl)Cl)O","WRSNHYQWUHHFLB-UHFFFAOYSA-N",361228,NA,"PDBC39170","624185","Present",NA,NA
+"39171","Methyl 3,5-dimethyl-7H-pyrido[2,3-c]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,5-dimethyl-7H-pyrido[2,3-c]carbazole-1-carboxylate",NA,"CC1=CC(=C2C3=C4C=CC=CC4=NC3=CC(=C2N1)C)C(=O)OC","VGXGUCGTCBPQSH-UHFFFAOYSA-N",266900,NA,"PDBC39171","105781","Present",NA,NA
+"39172","Methyl 3,5-dioxo-4-phenyl-2-(phenylcarbamoyl)-1,2,4-triazolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3,5-dioxo-4-phenyl-2-(phenylcarbamoyl)-1,2,4-triazolidine-1-carboxylate",NA,"COC(=O)N1C(=O)N(C(=O)N1C(=O)NC2=CC=CC=C2)C3=CC=CC=C3","BULYUSRLOVTUDE-UHFFFAOYSA-N",392337,NA,"PDBC39172","692613","Present",NA,NA
+"39173","Methyl 3-(((3,4-dimethoxybenzyl)amino)carbonyl)-2,4-dioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(((3,4-dimethoxybenzyl)amino)carbonyl)-2,4-dioxopentanoate",NA,"CC(=O)C(C(=O)C(=O)OC)C(=O)NCC1=CC(=C(C=C1)OC)OC","LVUTUPWQDQHBEM-UHFFFAOYSA-N",367461,NA,"PDBC39173","637190","Present",NA,NA
+"39174","Methyl 3-(((6-(hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)amino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-methyl-3-{[(6-nitro-1,3-benzothiazol-2-yl)amino](oxo)acetyl}-2,4-dioxohept-5-enoate",NA,"CC(=CC(=O)C(C(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)C(=O)OC)C","DUCASOSLLAIMFU-UHFFFAOYSA-N",369546,NA,"PDBC39174","641407","Present",NA,NA
+"39175","Methyl 3-((2,4-dimethylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-((2,4-dimethylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)OC)C","RSIHBZPJVYCRFT-UHFFFAOYSA-N",369813,NA,"PDBC39175","642007","Present",NA,NA
+"39176","Methyl 3-((2-chloro-5-(trifluoromethyl)anilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-((2-chloro-5-(trifluoromethyl)anilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,"CC(=CC(=O)C(C(=O)C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)C(=O)C(=O)OC)C","OOJRIZLLJVNKSY-UHFFFAOYSA-N",369797,NA,"PDBC39176","641990","Present",NA,NA
+"39177","Methyl 3-((3-acetylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-((3-acetylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,"CC(=CC(=O)C(C(=O)C(=O)NC1=CC=CC(=C1)C(=O)C)C(=O)C(=O)OC)C","FZRZDRPTHIRIJC-UHFFFAOYSA-N",369814,NA,"PDBC39177","642008","Present",NA,NA
+"39178","Methyl 3-((4-chloro-2-methylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-((4-chloro-2-methylanilino)(oxo)acetyl)-6-methyl-2,4-dioxo-5-heptenoate",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C(=O)C=C(C)C)C(=O)C(=O)OC","BSRHJCAGNIMNNV-UHFFFAOYSA-N",369799,NA,"PDBC39178","641992","Present",NA,NA
+"39179","Methyl 3-((aminocarbonyl)hydrazono)-2-((3-hydroxy-1,4-dihydro-2-quinoxalinyl)methyl)-4-oxo-4-(2-toluidino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3Z)-3-(carbamoylhydrazinylidene)-2-[(3-hydroxy-1,4-dihydroquinoxalin-2-yl)methyl]-4-(2-methylanilino)-4-oxobutanoate",NA,"CC1=CC=CC=C1NC(=O)C(=NNC(=O)N)C(CC2=C(NC3=CC=CC=C3N2)O)C(=O)OC","PFOKDGRWGBKMLI-IMRQLAEWSA-N",5926693,NA,"PDBC39179","641993","Present",NA,NA
+"39180","Methyl 3-((aminocarbonyl)hydrazono)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-oxo-4-(4-toluidino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3Z)-3-(carbamoylhydrazinylidene)-4-(4-methylanilino)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate",NA,"CC1=CC=C(C=C1)NC(=O)C(=NNC(=O)N)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC","NPRPPINXHPFRTJ-ONUIUJJFSA-N",5900401,NA,"PDBC39180","648664","Present",NA,NA
+"39181","Methyl 3-((aminocarbonyl)hydrazono)-4-(2-ethyl-6-isopropylanilino)-4-oxo-2-(2-quinoxalinyl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-((aminocarbonyl)hydrazono)-4-(2-ethyl-6-isopropylanilino)-4-oxo-2-(2-quinoxalinyl)butanoate",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=NNC(=O)N)C(C2=NC3=CC=CC=C3N=C2)C(=O)OC","KVPLHVOBCIOKCU-SWKFRHMKSA-N",5351385,NA,"PDBC39181","642033","Present",NA,NA
+"39182","Methyl 3-((aminocarbonyl)hydrazono)-4-(4-chloroanilino)-2-((6-chloro-3-hydroxy-2-quinoxalinyl)methyl)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3Z)-3-(carbamoylhydrazinylidene)-4-(4-chloroanilino)-2-[(6-chloro-3-oxo-4H-quinoxalin-2-yl)methyl]-4-oxobutanoate",NA,"COC(=O)C(CC1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=NNC(=O)N)C(=O)NC3=CC=C(C=C3)Cl","IALRHWGGNCMHPW-QRQIAZFYSA-N",9571316,NA,"PDBC39182","642011","Present",NA,NA
+"39183","Methyl 3-((benzylamino)carbonyl)-2,4-dioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(benzylcarbamoyl)-2,4-dioxopentanoate",NA,"CC(=O)C(C(=O)C(=O)OC)C(=O)NCC1=CC=CC=C1","IOIJZIILEHAMOE-UHFFFAOYSA-N",367364,NA,"PDBC39183","637003","Present",NA,NA
+"39184","Methyl 3-(1,3-benzodioxol-5-yl)-N-benzoyl-2-(dimethoxyphosphoryl)alaninate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-benzamido-3-(1,3-benzodioxol-5-yl)-2-dimethoxyphosphoryl-propanoate",NA,"COC(=O)C(CC1=CC2=C(C=C1)OCO2)(NC(=O)C3=CC=CC=C3)P(=O)(OC)OC","SKONUVMCTZPLQM-UHFFFAOYSA-N",369434,NA,"PDBC39184","641204","Present",NA,NA
+"39185","Methyl 3-(1,3-benzothiazol-2-yl)-2-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1,3-benzothiazol-2-yl)-2-oxopropanoate",NA,"COC(=O)C(=O)CC1=NC2=CC=CC=C2S1","LTVFPXRFTOXELD-UHFFFAOYSA-N",361035,NA,"PDBC39185","623769","Present",NA,NA
+"39186","Methyl 3-(1,3-benzothiazol-2-yl)-3-cyano-2-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1,3-benzothiazol-2-yl)-3-cyano-2-oxopropanoate",NA,"COC(=O)C(=O)C(C#N)C1=NC2=CC=CC=C2S1","YCKGQZLABYHCNU-UHFFFAOYSA-N",359726,NA,"PDBC39186","621172","Present",NA,NA
+"39187","Methyl 3-(1,3-benzoxazol-2-yl)-2-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1,3-benzoxazol-2-yl)-2-oxopropanoate",NA,"COC(=O)C(=O)CC1=NC2=CC=CC=C2O1","KHNZDEPQKVYXIX-UHFFFAOYSA-N",366799,NA,"PDBC39187","635571","Present",NA,NA
+"39188","Methyl 3-(1,3-benzoxazol-2-yl)-5-(dibutylamino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1,3-benzoxazol-2-yl)-5-(dibutylamino)-2,4,5-trioxopentanoate",NA,"CCCCN(CCCC)C(=O)C(=O)C(C1=NC2=CC=CC=C2O1)C(=O)C(=O)OC","RKQCCDZIJSMSCT-UHFFFAOYSA-N",367758,NA,"PDBC39188","637697","Present",NA,NA
+"39189","Methyl 3-(1-acetyl-1H-indol-3-yl)-2-(dimethoxyphosphoryl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1-acetyl-1H-indol-3-yl)-2-(dimethoxyphosphoryl)propanoate",NA,"CC(=O)N1C=C(C2=CC=CC=C21)CC(C(=O)OC)P(=O)(OC)OC","RMTYGSVXQWGAOG-UHFFFAOYSA-N",382132,NA,"PDBC39189","669578","Present",NA,NA
+"39190","Methyl 3-(1-adamantylcarbamoyl)-4-oxo-pyrrolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(1-Adamantylamino)carbonyl]-1-methoxy carbonyl-3-oxo ...",NA,"COC(=O)N1CC(C(=O)C1)C(=O)NC23CC4CC(C2)CC(C4)C3","IDHGPGHPEIHIRE-UHFFFAOYSA-N",369145,NA,"PDBC39190","640731","Present",NA,NA
+"39191","Methyl 3-(1-oxidoaziridin-1-ium-1-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(1-oxidoaziridin-1-yl)propanoate",NA,"COC(=O)CC[N+]1(CC1)[O-]","ZEIPIKINEYKTEB-UHFFFAOYSA-N",379580,NA,"PDBC39191","664269","Present",NA,NA
+"39192","Methyl 3-(2,2-diethoxyethylamino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XAINZBOXLGOBJR-UHFFFAOYSA-N",NA,"CCOC(CNCCC(=O)OC)OCC","XAINZBOXLGOBJR-UHFFFAOYSA-N",377626,NA,"PDBC39192","659204","Present",NA,NA
+"39193","Methyl 3-(2,3-dihydro-1H-inden-5-yl)-2-(2,3-dihydro-1H-inden-5-ylmethyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(2,3-dihydro-1H-inden-5-yl)-2-(2,3-dihydro-1H-inden-5-ylmethyl)propanoate",NA,"COC(=O)C(CC1=CC2=C(CCC2)C=C1)CC3=CC4=C(CCC4)C=C3","HASRHQLTKNPGGG-UHFFFAOYSA-N",384735,NA,"PDBC39193","674970","Present",NA,NA
+"39194","Methyl 3-(2,3-dihydro-1H-inden-5-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(2,3-dihydro-1H-inden-5-yl)propanoate",NA,"COC(=O)CCC1=CC2=C(CCC2)C=C1","KJLKCEQFPWXVAS-UHFFFAOYSA-N",382783,NA,"PDBC39194","670461","Present",NA,NA
+"39195","Methyl 3-(2,3-dimethoxyphenyl)prop-2-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(2,3-dimethoxyphenyl)prop-2-ynoate",NA,"COC1=CC=CC(=C1OC)C#CC(=O)OC","JLJRBZNQSSAFHU-UHFFFAOYSA-N",223005,NA,"PDBC39195","10144","Present",NA,NA
+"39196","Methyl 3-(2-((hydroxyimino)methyl)-3-pyridinyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(2-((hydroxyimino)methyl)-3-pyridinyl)propanoate",NA,"COC(=O)CCC1=C(N=CC=C1)C=NO","ZVKJUCMSBNXTGF-KPKJPENVSA-N",135499218,NA,"PDBC39196","644884","Present",NA,NA
+"39197","Methyl 3-(2a-methylsulfanyl-2-oxo-1,3-dihydrobenzo[cd]indol-5-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(2a-methylsulfanyl-2-oxo-1,3-dihydrobenzo[cd]indol-5-yl)propanoate",NA,"COC(=O)CCC1=CCC2(C3=C1C=CC=C3NC2=O)SC","UMLVMDMCOQEKIT-UHFFFAOYSA-N",392962,NA,"PDBC39197","694176","Present",NA,NA
+"39198","Methyl 3-(3-(methylanilino)-3-oxopropyl)-4,6-dioxo-5-phenyloctahydropyrrolo[3,4-c]pyrazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[3-(N-methylanilino)-3-oxopropyl]-4,6-dioxo-5-phenyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-3-carboxylate",NA,"CN(C1=CC=CC=C1)C(=O)CCC2(C3C(C(=O)N(C3=O)C4=CC=CC=C4)NN2)C(=O)OC","LSMKFBFZQZAUPV-UHFFFAOYSA-N",379182,NA,"PDBC39198","663590","Present",NA,NA
+"39199","Methyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(3-chlorophenyl)-3-cyano-2-oxopropanoate",NA,"COC(=O)C(=O)C(C#N)C1=CC(=CC=C1)Cl","AJCGDYHWFFROHQ-UHFFFAOYSA-N",359744,NA,"PDBC39199","621190","Present",NA,NA
+"39200","Methyl 3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxo-5-((5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)amino)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxo-5-[(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)amino]pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=NC(=S)NN3","NMTNCPWBFOZVBO-UHFFFAOYSA-N",3004372,NA,"PDBC39200","648649","Present",NA,NA
+"39201","Methyl 3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxo-5-(2,4,5-trichloroanilino)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-5-(2,4,5-trichloroanilino)pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC(=C(C=C3Cl)Cl)Cl","CAYVAIDUPQWMTE-UHFFFAOYSA-N",369840,NA,"PDBC39201","642037","Present",NA,NA
+"39202","Methyl 3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-5-((6-methyl-1,3-benzothiazol-2-yl)amino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[(6-methyl-1,3-benzothiazol-2-yl)amino]-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,4,5-trioxopentanoate",NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)C(=O)C(=O)OC","ZPANCGBVKLBYRS-UHFFFAOYSA-N",372931,NA,"PDBC39202","648643","Present",NA,NA
+"39203","Methyl 3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-5-(2-(hydroxy(oxido)amino)-4-methoxyanilino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-5-(4-methoxy-2-nitro-anilino)-2,4,5-trioxo-pentanoate",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)C(=O)OC)[N+](=O)[O-]","FJJNIDLSNNAIFV-UHFFFAOYSA-N",371543,NA,"PDBC39203","645872","Present",NA,NA
+"39204","Methyl 3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-5-(2-methoxyanilino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-5-(2-methoxyanilino)-2,4,5-trioxo-pentanoate",NA,"COC1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)C(=O)OC","OKAWKHJHFKJJAN-UHFFFAOYSA-N",372934,NA,"PDBC39204","648646","Present",NA,NA
+"39205","Methyl 3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-5-(2-nitroanilino)-2,4,5-trioxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-5-(2-nitroanilino)-2,4,5-trioxo-pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=CC=C3[N+](=O)[O-]","PICHCZWYQUPKKA-UHFFFAOYSA-N",370939,NA,"PDBC39205","644744","Present",NA,NA
+"39206","Methyl 3-(3-hydroxyquinoxalin-2-yl)-5-(4-nitroanilino)-2,4,5-trioxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(3-hydroxyquinoxalin-2-yl)-5-(4-nitroanilino)-2,4,5-trioxo-pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]","XIZZHMUBNKOJMX-UHFFFAOYSA-N",371981,NA,"PDBC39206","646796","Present",NA,NA
+"39207","Methyl 3-(3-methoxy-3-oxo-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propyl)-5,6,7,8-tetrahydro-2-naphthalenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-[3-methoxy-3-oxo-2-(tetralin-6-ylmethyl)propyl]tetralin-6-carboxylate",NA,"COC(=O)C1=C(C=C2CCCCC2=C1)CC(CC3=CC4=C(CCCC4)C=C3)C(=O)OC","OILATIFACRLTIN-UHFFFAOYSA-N",385651,NA,"PDBC39207","676997","Present",NA,NA
+"39208","Methyl 3-(3-methoxy-4-(phosphonooxy)phenyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(3-methoxy-4-(phosphonooxy)phenyl)acrylate",NA,"COC1=C(C=CC(=C1)C=CC(=O)OC)OP(=O)(O)O","GKUPHQXLTQSDOS-GQCTYLIASA-N",5467950,NA,"PDBC39208","660669","Present",NA,NA
+"39209","Methyl 3-(3-oxo-2,3-dihydro-1H-inden-5-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(3-oxo-2,3-dihydro-1H-inden-5-yl)propanoate",NA,"COC(=O)CCC1=CC2=C(CCC2=O)C=C1","QANKQAILKBWEGK-UHFFFAOYSA-N",382781,NA,"PDBC39209","670459","Present",NA,NA
+"39210","Methyl 3-(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-2-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(3-tert-butyl-5,5-dimethyl-2-oxido-1,3,2-oxazaphospholidin-2-yl)-2-oxopentanoate",NA,"CCC(C(=O)C(=O)OC)P1(=O)N(CC(O1)(C)C)C(C)(C)C","RSSKYYXCEHZKFI-UHFFFAOYSA-N",395327,NA,"PDBC39210","699809","Present",NA,NA
+"39211","Methyl 3-(4-(2-hydroxyethyl)-2-methyl-1-piperazinyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[4-(2-hydroxyethyl)-2-methylpiperazin-1-yl]prop...",NA,"CC1CN(CCN1CCC(=O)OC)CCO","UVEJQVMATQJGOG-UHFFFAOYSA-N",377684,NA,"PDBC39211","659264","Present",NA,NA
+"39212","Methyl 3-(4-(bis(2-cyanoethyl)amino)phenyl)-2-((2-chloro-5-(hydroxy(oxido)amino)benzoyl)amino)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (E)-3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitro-benzoyl)amino]prop-2-enoate",NA,"COC(=O)C(=CC1=CC=C(C=C1)N(CCC#N)CCC#N)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl","DKPYGAZRDQWYCO-KGENOOAVSA-N",5921821,NA,"PDBC39212","638227","Present",NA,NA
+"39213","Methyl 3-(4-chlorophenyl)-3-cyano-2-((2-hydroxybenzoyl)hydrazono)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(4-chlorophenyl)-3-cyano-2-((2-hydroxybenzoyl)hydrazono)propanoate",NA,"COC(=O)C(=NNC(=O)C1=CC=CC=C1O)C(C#N)C2=CC=C(C=C2)Cl","RUMLQRVPIXXRHO-PGMHBOJBSA-N",5930707,NA,"PDBC39213","635415","Present",NA,NA
+"39214","Methyl 3-(4-chlorophenyl)-4,5-dihydro-5-isoxazolecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bionet2_001484",NA,"COC(=O)C1CC(=NO1)C2=CC=C(C=C2)Cl","DXIMZWAUSHENSG-UHFFFAOYSA-N",368752,NA,"PDBC39214","639906","Present",NA,NA
+"39215","Methyl 3-(4-nitrophenyl)prop-2-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propiolic acid, (p-nitrophenyl)-, methyl ester",NA,"COC(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]","XNRRUKAHRUCWGC-UHFFFAOYSA-N",251019,NA,"PDBC39215","71090","Present",NA,NA
+"39216","Methyl 3-(5,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(5,5-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propanoate",NA,"CC1(CN=C(O1)CCC(=O)OC)C","JJLOFRLCHSVJEO-UHFFFAOYSA-N",379184,NA,"PDBC39216","663592","Present",NA,NA
+"39217","Methyl 3-(5,5-diphenyl-4H-isoxazol-2-ium-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(5,5-diphenyl-4H-isoxazol-2-ium-2-yl)propanoate",NA,"COC(=O)CC[N+]1=CCC(O1)(C2=CC=CC=C2)C3=CC=CC=C3","TWSWHYZTRIRQFY-UHFFFAOYSA-N",495303,NA,"PDBC39217","649440","Present",NA,NA
+"39218","Methyl 3-(5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoate",NA,"COC1=C2CCC(C(=O)C2=C(C=C1)OC)CCC(=O)OC","XAPSTMZSTUBZJL-UHFFFAOYSA-N",361600,NA,"PDBC39218","624781","Present",NA,NA
+"39219","Methyl 3-(5-((3-(3-methoxy-3-oxopropyl)-4,5-dihydro-5-isoxazolyl)methyl)-4,5-dihydro-3-isoxazolyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[5-[[3-(3-methoxy-3-oxopropyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,5-dihydro-1,2-oxazol-3-yl]propanoate",NA,"COC(=O)CCC1=NOC(C1)CC2CC(=NO2)CCC(=O)OC","QTGHUNIWFITBRK-UHFFFAOYSA-N",361650,NA,"PDBC39219","624868","Present",NA,NA
+"39220","Methyl 3-(5-(bis(2-chloroethyl)amino)-1H-indol-3-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indole-3-propionic acid, 5-[bis(2-chloroethyl)amino]-, m...",NA,"COC(=O)CCC1=CNC2=C1C=C(C=C2)N(CCCl)CCCl","UJMUCMMVMLXILD-UHFFFAOYSA-N",257269,NA,"PDBC39220","85230","Present",NA,NA
+"39221","Methyl 3-(6-(hydroxy(methoxy)methyl)-2,3-dihydro-1H-inden-5-yl)-2-(5,6,7,8-tetrahydro-2-naphthalenylmethyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[6-[hydroxy(methoxy)methyl]indan-5-yl]methyl]-3-tetralin-6-yl-propanoate",NA,"COC(C1=C(C=C2CCCC2=C1)CC(CC3=CC4=C(CCCC4)C=C3)C(=O)OC)O","UTKQTSSMKGJSHX-UHFFFAOYSA-N",385655,NA,"PDBC39221","677001","Present",NA,NA
+"39222","Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxo-5-(4-toluidino)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-2,4,5-trioxo-5-(para-tolylamino)pentanoate",NA,"CC1=CC=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC","KKCBEEFDXQMKAF-UHFFFAOYSA-N",372895,NA,"PDBC39222","648607","Present",NA,NA
+"39223","Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2-hydrazono-5-(3-(hydroxy(oxido)amino)anilino)-4,5-dioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-3-(6-benzoyl-3-oxo-4H-quinoxalin-2-yl)-2-hydrazinylidene-5-(3-nitroanilino)-4,5-dioxopentanoate",NA,"COC(=O)C(=NN)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]","PYLQDVINPHITIN-JDCMOKTRSA-N",5902344,NA,"PDBC39223","649837","Present",NA,NA
+"39224","Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-5-(2,5-bis(hydroxy(oxido)amino)anilino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-benzoyl-3-hydroxy-quinoxalin-2-yl)-5-(2,5-dinitroanilino)-2,4,5-trioxo-pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","WRMMIPFZDDBWGY-UHFFFAOYSA-N",369862,NA,"PDBC39224","642059","Present",NA,NA
+"39225","Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-5-(4-chloro-2-methylanilino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-5-(4-chloro-2-methylanilino)-2,4,5-trioxopentanoate",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC","AEXYXPIXQIGZTO-UHFFFAOYSA-N",370935,NA,"PDBC39225","644740","Present",NA,NA
+"39226","Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-(2,5-dimethylphenylamino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-5-(2,5-dimethylanilino)-2,4,5-trioxopentanoate",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC","VOZMUEZVJVTRCA-UHFFFAOYSA-N",369843,NA,"PDBC39226","642040","Present",NA,NA
+"39227","Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-(2-carbamoylphenylamino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-(2-carbamoylphenylamino)-2,4,5-trioxopentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)NC4=CC=CC=C4C(=O)N","YRFHFYADBWEMCM-UHFFFAOYSA-N",369860,NA,"PDBC39227","642056","Present",NA,NA
+"39228","Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-[(3,4-dichlorophenyl)amino]-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-benzoyl-3-hydroxyquinoxalin-2-yl)-5-[(3,4-dichlorophenyl)amino]-2,4,5-trioxopentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl","ZMPULCWOJZYSCO-UHFFFAOYSA-N",372901,NA,"PDBC39228","648613","Present",NA,NA
+"39229","Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(2,4-dichloroanilino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(2,4-dichloroanilino)-2,4,5-trioxopentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","VSINSEPBSFJUSH-UHFFFAOYSA-N",373456,NA,"PDBC39229","649813","Present",NA,NA
+"39230","Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(2,4-dimethylanilino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(2,4-dimethylanilino)-2,4,5-trioxopentanoate",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)C(=O)OC)C","ZTPMQORLPXXNFA-UHFFFAOYSA-N",373465,NA,"PDBC39230","649822","Present",NA,NA
+"39231","Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(3-(hydroxy(oxido)amino)anilino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-chloro-3-hydroxy-quinoxalin-2-yl)-5-(3-nitroanilino)-2,4,5-trioxo-pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","QABVQTDKFADLBH-UHFFFAOYSA-N",373463,NA,"PDBC39231","649820","Present",NA,NA
+"39232","Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(3-methoxyanilino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-chloro-3-hydroxy-2-quinoxalinyl)-5-(3-methoxyanilino)-2,4,5-trioxopentanoate",NA,"COC1=CC=CC(=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)C(=O)OC","FEZPSJAQNLDLSN-UHFFFAOYSA-N",373367,NA,"PDBC39232","649582","Present",NA,NA
+"39233","Methyl 3-(8-hydroxy-5-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(8-hydroxy-5-methoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenyl)propanoate",NA,"COC1=C2CCC(C(=O)C2=C(C=C1)O)CCC(=O)OC","RDHPQTRMYAFEIN-UHFFFAOYSA-N",361601,NA,"PDBC39233","624782","Present",NA,NA
+"39234","Methyl 3-(N-acetyl-7-bromoindol-3-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(N-acetyl-7-bromoindol-3-yl)acrylate",NA,"CC(=O)N1C=C(C2=C1C=CC(=C2)Br)C=CC(=O)OC","SSXPUKBMEDBELU-ZZXKWVIFSA-N",45027930,NA,"PDBC39234","740192","Present",NA,NA
+"39235","Methyl 3-([(benzyloxy)carbonyl]amino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzyloxycarbonyl)-.beta.-alanine methyl ester",NA,"COC(=O)CCNC(=O)OCC1=CC=CC=C1","LWSYHFSVQUXZJI-UHFFFAOYSA-N",376763,NA,"PDBC39235","657819","Present",NA,NA
+"39236","Methyl 3-(acetyloxy)-2-((3-(3-(acetyloxy)-4-hydroxyphenyl)acryloyl)amino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(acetyloxy)-2-((3-(3-(acetyloxy)-4-hydroxyphenyl)acryloyl)amino)propanoate",NA,"CC(=O)OCC(C(=O)OC)NC(=O)C=CC1=CC(=C(C=C1)O)OC(=O)C","KQJYAPDDJMABGO-FNORWQNLSA-N",5470544,NA,"PDBC39236","702987","Present",NA,NA
+"39237","Methyl 3-(acetyloxymethyl)-2,5-bis(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(acetyloxymethyl)-2,5-bis(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,"CC(=O)OCC1C(OC(=C1C(=O)OC)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C(=C3)OC)OC)OC","UQPIDFYYQTZESB-UHFFFAOYSA-N",360098,NA,"PDBC39237","621960","Present",NA,NA
+"39238","Methyl 3-(benzenesulfonyl)-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(benzenesulfonyl)-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate",NA,"COC(=O)C1C2CC(N1S(=O)(=O)C3=CC=CC=C3)C=C2","LWPGXFSIHHPTDY-UHFFFAOYSA-N",496534,NA,"PDBC39238","693115","Present",NA,NA
+"39239","Methyl 3-(diethoxyphosphoryl)-6-hydroxy-2-(4-methylphenyl)isonicotinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(diethoxyphosphoryl)-6-hydroxy-2-(4-methylphenyl)isonicotinate",NA,"CCOP(=O)(C1=C(NC(=O)C=C1C(=O)OC)C2=CC=C(C=C2)C)OCC","QQOBZQGUGCIQGG-UHFFFAOYSA-N",391117,NA,"PDBC39239","689735","Present",NA,NA
+"39240","Methyl 3-(dimethyl(phenylthio)germyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(dimethyl(phenylthio)germyl)propanoate",NA,"COC(=O)CC[Ge](C)(C)SC1=CC=CC=C1","HPVNMJGNMALGNH-UHFFFAOYSA-N",16683241,NA,"PDBC39240","650712","Present",NA,NA
+"39241","Methyl 3-(hydroxymethyl)bicyclo[2.2.1]hepta-2,5-diene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(hydroxymethyl)bicyclo[2.2.1]hepta-2,5-diene-2-carboxylate",NA,"COC(=O)C1=C(C2CC1C=C2)CO","QFQKMAHLFBUZBV-UHFFFAOYSA-N",361732,NA,"PDBC39241","624974","Present",NA,NA
+"39242","Methyl 3-(propylcarbamoyl)naphthalene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(propylcarbamoyl)naphthalene-2-carboxylate",NA,"CCCNC(=O)C1=CC2=CC=CC=C2C=C1C(=O)OC","UGYSKLCFHZSDRU-UHFFFAOYSA-N",364301,NA,"PDBC39242","630318","Present",NA,NA
+"39243","Methyl 3-O-acetyl-2-(((1-(2-chloroethyl)-2-oxohydrazino)carbonyl)amino)-2-deoxyhexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[[2-Chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl] acetate",NA,"CC(=O)OC1C(C(OC(C1O)CO)OC)NC(=O)N(CCCl)N=O","FCDZYIGVKBCDSO-UHFFFAOYSA-N",370166,NA,"PDBC39243","642910","Present",NA,NA
+"39244","Methyl 3-[(1-nitroacridin-9-yl)amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanoic acid, 3-[(1-nitro-9-acridinyl)amino]-, methyl ...",NA,"COC(=O)CCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]","LXKKFMDQYDSSEW-UHFFFAOYSA-N",384259,NA,"PDBC39244","673805","Present",NA,NA
+"39245","Methyl 3-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)sulfanyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)sulfanyl]propanoate",NA,"COC(=O)CCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","FLTGVUOYRKFJQK-UHFFFAOYSA-N",390133,NA,"PDBC39245","687159","Present",NA,NA
+"39246","Methyl 3-[(2-chloro-4-nitrophenoxy)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK313172",NA,"COC(=O)C1=CC=CC(=C1)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl","IWCXQSCSIYCLEJ-UHFFFAOYSA-N",287271,NA,"PDBC39246","146847","Present",NA,NA
+"39247","Methyl 3-[(2-chlorophenyl)carbamoylsulfanyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[N-(2-Chlorophenylthiocarbamoyl)]-propanoate",NA,"COC(=O)CCSC(=O)NC1=CC=CC=C1Cl","YZJOSJWDPRKCOF-UHFFFAOYSA-N",363911,NA,"PDBC39247","629300","Present",NA,NA
+"39248","Methyl 3-[(2E)-2-hydroxyimino-1,7-dimethyl-norbornan-7-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[(2E)-2-hydroxyimino-1,7-dimethyl-norbornan-7-yl]propanoate",NA,"CC12CCC(C1(C)CCC(=O)OC)CC2=NO","XCEOSCOLLDESRH-GXDHUFHOSA-N",9571578,NA,"PDBC39248","683845","Present",NA,NA
+"39249","Methyl 3-[(2E)-2-hydroxyimino-7-methyl-norbornan-7-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[(2E)-2-hydroxyimino-7-methyl-norbornan-7-yl]propanoate",NA,"CC1(C2CCC1C(=NO)C2)CCC(=O)OC","RPPHEBMIMZESDZ-JLHYYAGUSA-N",5934580,NA,"PDBC39249","683846","Present",NA,NA
+"39250","Methyl 3-[(2S,3R,4aR,7S,7aR)-3-hydroxy-2-methyl-5-oxo-7-[(2S)-6-oxoheptan-2-yl]-4,4a,7,7a-tetrahydro-3H-furo[3,4-b]pyran-2-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[(2S,3R,4aR,7S,7aR)-3-hydroxy-2-methyl-5-oxo-7-[(2S)-6-oxoheptan-2-yl]-4,4a,7,7a-tetrahydro-3H-furo[3,4-b]pyran-2-yl]propanoate",NA,"CC(CCCC(=O)C)C1C2C(CC(C(O2)(C)CCC(=O)OC)O)C(=O)O1","ZDVYNZAALXYCKO-CRNRLYIRSA-N",24204114,NA,"PDBC39250","730663","Present",NA,NA
+"39251","Methyl 3-[(4-methoxyphenyl)carbamoyl]-4-oxo-2-phenyl-2,3-dihydropyran-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[(4-methoxyphenyl)carbamoyl]-4-oxo-2-phenyl-2,3-dihydropyran-6-carboxylate",NA,"COC1=CC=C(C=C1)NC(=O)C2C(OC(=CC2=O)C(=O)OC)C3=CC=CC=C3","UNRNOOANIVAJPP-UHFFFAOYSA-N",366146,NA,"PDBC39251","634473","Present",NA,NA
+"39252","Methyl 3-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[(4-phenyldiazenylphenyl)carbamoylsulfanyl]propanoate",NA,"COC(=O)CCSC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2","IFEGTAVIIAKMLG-UHFFFAOYSA-N",359048,NA,"PDBC39252","619425","Present",NA,NA
+"39253","Methyl 3-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate",NA,"COC(=O)C1=CC(=CC=C1)NC(=O)NC2=CC3=C(C=C2)OC(=O)C4=CC=CC=C43","MOZXUADZWDBIAQ-UHFFFAOYSA-N",45028030,NA,"PDBC39253","740800","Present",NA,NA
+"39254","Methyl 3-[(E)-3-acetamido-1-methoxy-1-oxobut-2-en-2-yl]-1H-indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[(E)-3-acetamido-1-methoxy-1-oxobut-2-en-2-yl]-1H-indole-2-carboxylate",NA,"CC(=C(C1=C(NC2=CC=CC=C21)C(=O)OC)C(=O)OC)NC(=O)C","XHZASZUQTZXRRX-UKTHLTGXSA-N",5468395,NA,"PDBC39254","669519","Present",NA,NA
+"39255","Methyl 3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1-benzofuran-5-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[2-(3,4-dimethoxyphenyl)-3-(hydroxymethyl)-7-methoxy-1-benzofuran-5-yl]propanoate",NA,"COC1=C(C=C(C=C1)C2=C(C3=C(O2)C(=CC(=C3)CCC(=O)OC)OC)CO)OC","GFOCZZIFHVDCBW-UHFFFAOYSA-N",384749,NA,"PDBC39255","675002","Present",NA,NA
+"39256","Methyl 3-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 3-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-...",NA,"COC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","RKACGTWAFZTIHD-UHFFFAOYSA-N",1194961,NA,"PDBC39256","732842","Present",NA,NA
+"39257","Methyl 3-[4-(3-methoxy-3-oxopropyl)phenyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanoic acid, 3,3'-(1,4-phenylene)bis-, dimethyl ester",NA,"COC(=O)CCC1=CC=C(C=C1)CCC(=O)OC","YBPCZDKFGFYLAU-UHFFFAOYSA-N",382780,NA,"PDBC39257","670458","Present",NA,NA
+"39258","Methyl 3-[4-tert-butyl-1-[(4-methylphenyl)sulfonylamino]cyclohexyl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[4-tert-butyl-1-[(4-methylphenyl)sulfonylamino]cyclohexyl]propanoate",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2(CCC(CC2)C(C)(C)C)CCC(=O)OC","QAWQTGMYEBLYNB-UHFFFAOYSA-N",359246,NA,"PDBC39258","619954","Present",NA,NA
+"39259","Methyl 3-[5-methoxy-4-(2-methoxy-2-oxoethyl)-5-methyl-2-(phenylmethoxycarbonylamino)pyrrol-3-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[5-methoxy-4-(2-methoxy-2-oxoethyl)-5-methyl-2-(phenylmethoxycarbonylamino)pyrrol-3-yl]propanoate",NA,"CC1(C(=C(C(=N1)NC(=O)OCC2=CC=CC=C2)CCC(=O)OC)CC(=O)OC)OC","IOUFGZUQBNHXOH-UHFFFAOYSA-N",396279,NA,"PDBC39259","701976","Present",NA,NA
+"39260","Methyl 3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoate",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=CC(=C6)C(=O)OC","SVBKRHKEBFEVRL-LYJLOTJCSA-N",363642,NA,"PDBC39260","628671","Present",NA,NA
+"39261","Methyl 3-[[2-[[2-[[2-(benzyloxycarbonylamino)-4-methoxy-4-oxo-butanoyl]amino]-4-methoxy-4-oxo-butanoyl]amino]-4-methoxy-4-oxo-butanoyl]amino]-4-[[1-[[1-(hydrazinecarbonyl)-3-methoxy-3-oxo-propyl]carbamoyl]-3-methoxy-3-oxo-propyl]amino]-4-oxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[[1-[(1-hydrazinyl-4-methoxy-1,4-dioxobutan-2-yl)amino]-4-methoxy-1,4-dioxobutan-2-yl]amino]-3-[[4-methoxy-2-[[4-methoxy-2-[[4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-4-ox",NA,"COC(=O)CC(C(=O)NC(CC(=O)OC)C(=O)NC(CC(=O)OC)C(=O)NN)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)C(CC(=O)OC)NC(=O)OCC1=CC=CC=C1.Cl","KMRZKLUMMUPIGT-UHFFFAOYSA-N",381822,NA,"PDBC39261","668895","Present",NA,NA
+"39262","Methyl 3-[cyclopropyl-(3-methoxy-3-oxopropyl)amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-026678",NA,"COC(=O)CCN(CCC(=O)OC)C1CC1","XPFPGQGFWHRWDG-UHFFFAOYSA-N",379579,NA,"PDBC39262","664268","Present",NA,NA
+"39263","Methyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-acetyl-1-oxido-4-oxo-2-(trifluoromethyl)quinoxalin-4-ium-6-carboxylate",NA,"CC(=O)C1=C(N(C2=C([N+]1=O)C=C(C=C2)C(=O)OC)[O-])C(F)(F)F","WLKQIYBUCGYWMZ-UHFFFAOYSA-N",54613749,NA,"PDBC39263","750204","Present",NA,NA
+"39264","Methyl 3-acetyl-5-(2,4-dimethylanilino)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-acetyl-5-(2,4-dimethylanilino)-2,4,5-trioxopentanoate",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C(C(=O)C)C(=O)C(=O)OC)C","OBUVGFJWKZTOIY-UHFFFAOYSA-N",369274,NA,"PDBC39264","641005","Present",NA,NA
+"39265","Methyl 3-amino-2-cyano-3-(2-imino-4-methyl-2H-chromen-3-yl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-amino-2-cyano-3-(2-imino-4-methyl-2H-chromen-3-yl)acrylate",NA,"CC1=C(C(=N)OC2=CC=CC=C12)C(=C(C#N)C(=O)OC)N","KANALKIZNRIAQK-OVPUCLHSSA-N",3005356,NA,"PDBC39265","694563","Present",NA,NA
+"39266","Methyl 3-amino-4,4,4-trichloro-2-cyano-2-butenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-amino-4,4,4-trichloro-2-cyano-2-butenoate",NA,"COC(=O)C(=C(C(Cl)(Cl)Cl)N)C#N","HTKQPJJUFCSKJD-ARJAWSKDSA-N",3004059,NA,"PDBC39266","625020","Present",NA,NA
+"39267","Methyl 3-benzoyloxy-2-(3,5-dioxoheptan-4-yl)-6-hydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-benzoyloxy-2-(3,5-dioxoheptan-4-yl)-6-hydroxybenzoate",NA,"CCC(=O)C(C1=C(C=CC(=C1C(=O)OC)O)OC(=O)C2=CC=CC=C2)C(=O)CC","CLWWULLLADAWRH-UHFFFAOYSA-N",359530,NA,"PDBC39267","620513","Present",NA,NA
+"39268","Methyl 3-benzoyloxy-5-(2-cyclohex-2-en-1-yloxy-2-oxoethyl)-1,2-oxazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-benzoyloxy-5-(2-cyclohex-2-en-1-yloxy-2-oxoethyl)-1,2-oxazole-4-carboxylate",NA,"COC(=O)C1=C(ON=C1OC(=O)C2=CC=CC=C2)CC(=O)OC3CCCC=C3","MELDVCDDAUVMOX-UHFFFAOYSA-N",359224,NA,"PDBC39268","619933","Present",NA,NA
+"39269","Methyl 3-bromo-2-(bromomethyl)propionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanoic acid, 3-bromo-2-(bromomethyl)-, methyl ester",NA,"COC(=O)C(CBr)CBr","USXVPPOARMSYGY-UHFFFAOYSA-N",140895,NA,"PDBC39269","620109","Present",NA,NA
+"39270","Methyl 3-butylsulfanyl-2-[[(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoyl]amino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-butylsulfanyl-2-[[(E)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enoyl]amino]propanoate",NA,"CCCCSCC(C(=O)OC)NC(=O)C=CC1=C(NC(=O)NC1=O)C","DMGBMAFCALOMMR-VOTSOKGWSA-N",5383838,NA,"PDBC39270","201241","Present",NA,NA
+"39271","Methyl 3-chloro-5-[1-(3-chloro-4-hydroxy-5-methoxycarbonylphenyl)-4-[(3S,10S,13R,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-hydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5.alpha.)-3.beta.-[4,4-Di(5'-chloro-4'-hydroxy-3'-metho...",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)OC)C6=CC(=C(C(=C6)Cl)O)C(=O)OC)C)C","HPSKJNANJFIHTK-GZKBEZCGSA-N",6712227,NA,"PDBC39271","661403","Present",NA,NA
+"39272","Methyl 3-chloropropanimidate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659147",NA,"COC(=N)CCCl.Cl","BPRGIMJXESYZCI-UHFFFAOYSA-N",377577,NA,"PDBC39272","659147","Present",NA,NA
+"39273","Methyl 3-cyano-2-((2-hydroxybenzoyl)hydrazono)-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-cyano-2-((2-hydroxybenzoyl)hydrazono)-3-phenylpropanoate",NA,"COC(=O)C(=NNC(=O)C1=CC=CC=C1O)C(C#N)C2=CC=CC=C2","IAKGZCIZYVUMEZ-SILNSSARSA-N",5918666,NA,"PDBC39273","635337","Present",NA,NA
+"39274","Methyl 3-cyano-2-hydroxy-6-(2-naphthyl)isonicotinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-cyano-2-hydroxy-6-(2-naphthyl)isonicotinate",NA,"COC(=O)C1=C(C(=O)NC(=C1)C2=CC3=CC=CC=C3C=C2)C#N","DIWRYRIOYBQNET-UHFFFAOYSA-N",341306,NA,"PDBC39274","373070","Present",NA,NA
+"39275","Methyl 3-cyano-3-(1-naphthyl)-2-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-cyano-3-(1-naphthyl)-2-oxopropanoate",NA,"COC(=O)C(=O)C(C#N)C1=CC=CC2=CC=CC=C21","HMHWMDGGGJPCSM-UHFFFAOYSA-N",360355,NA,"PDBC39275","622413","Present",NA,NA
+"39276","Methyl 3-cyano-3-(2,6-dichlorophenyl)-2-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-cyano-3-(2,6-dichlorophenyl)-2-oxopropanoate",NA,"COC(=O)C(=O)C(C#N)C1=C(C=CC=C1Cl)Cl","QEMMPKFGNJOGLX-UHFFFAOYSA-N",359730,NA,"PDBC39276","621176","Present",NA,NA
+"39277","Methyl 3-cyano-3-(3,4-dichlorophenyl)-2-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-cyano-3-(3,4-dichlorophenyl)-2-oxopropanoate",NA,"COC(=O)C(=O)C(C#N)C1=CC(=C(C=C1)Cl)Cl","ZNAQINFARHONRK-UHFFFAOYSA-N",359718,NA,"PDBC39277","621163","Present",NA,NA
+"39278","Methyl 3-cyano-3-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-cyano-3-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3-phenylpropanoate",NA,"CC1C(OP(=O)(N1C)OC(CC(=O)OC)(C#N)C2=CC=CC=C2)C3=CC=CC=C3","XGWHBQUKHSXNBJ-UHFFFAOYSA-N",400229,NA,"PDBC39278","711747","Present",NA,NA
+"39279","Methyl 3-cyano-3-[4-(cyanomethyl)phenyl]-2-oxopropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-cyano-3-[4-(cyanomethyl)phenyl]-2-oxopropanoate",NA,"COC(=O)C(=O)C(C#N)C1=CC=C(C=C1)CC#N","WUDFOSUVDAORKL-UHFFFAOYSA-N",359720,NA,"PDBC39279","621165","Present",NA,NA
+"39280","Methyl 3-cyano-5-hydroxy-2-methyl-1H-indole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-cyano-5-hydroxy-2-methyl-1H-indole-4-carboxylate",NA,"CC1=C(C2=C(N1)C=CC(=C2C(=O)OC)O)C#N","PPHFMUZBUQWGNN-UHFFFAOYSA-N",24203203,NA,"PDBC39280","727116","Present",NA,NA
+"39281","Methyl 3-dodecyl-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-dodecyl-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate",NA,"CCCCCCCCCCCCC1C(=C2CCCN2C(=N1)N)C(=O)OC","AFFVUZCIAPPPEI-UHFFFAOYSA-N",380165,NA,"PDBC39281","665603","Present",NA,NA
+"39282","Methyl 3-ethoxy-2-((4-methylphenyl)sulfonyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-ethoxy-2-((4-methylphenyl)sulfonyl)acrylate",NA,"CCOC=C(C(=O)OC)S(=O)(=O)C1=CC=C(C=C1)C","PAEROHPMMFDRAF-FMIVXFBMSA-N",3005099,NA,"PDBC39282","671466","Present",NA,NA
+"39283","Methyl 3-ethylsulfanyl-4-oxo-6,7,8,9-tetrahydroquinolizine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-(ethylsulfanyl)-6-oxo-1,3,4,6-tetrahydro-2h-quinolizine-9-carboxylate",NA,"CCSC1=CC(=C2CCCCN2C1=O)C(=O)OC","UOUQFAXYLYLTFG-UHFFFAOYSA-N",394438,NA,"PDBC39283","697914","Present",NA,NA
+"39284","Methyl 3-fluoro-1-adamantylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-fluoro-1-adamantylcarbamate",NA,"COC(=O)NC12CC3CC(C1)CC(C3)(C2)F","FNADVOSALLPLAC-UHFFFAOYSA-N",371828,NA,"PDBC39284","646344","Present",NA,NA
+"39285","Methyl 3-formyl-6-methoxy-2-methyl-1H-indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-formyl-6-methoxy-2-methyl-1H-indole-1-carboxylate",NA,"CC1=C(C2=C(N1C(=O)OC)C=C(C=C2)OC)C=O","SNHMEHSOGVTAFK-UHFFFAOYSA-N",386815,NA,"PDBC39285","679523","Present",NA,NA
+"39286","Methyl 3-hydrazono-4-(3-hydroxyanilino)-2-(3-hydroxy-2-quinoxalinyl)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-hydrazono-4-(3-hydroxyanilino)-2-(3-hydroxy-2-quinoxalinyl)-4-oxobutanoate",NA,"COC(=O)C(C1=NC2=CC=CC=C2NC1=O)C(=NN)C(=O)NC3=CC(=CC=C3)O","SFWIMGNOZCIEAB-JLPGSUDCSA-N",9571365,NA,"PDBC39286","648640","Present",NA,NA
+"39287","Methyl 3-hydroxy-4-nitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KSC379E5N",NA,"COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])O","UEGCRFNWTGYVKX-UHFFFAOYSA-N",294866,NA,"PDBC39287","163972","Present",NA,NA
+"39288","Methyl 3-hydroxy-6-(4-methoxyphenyl)-1-cyclohexene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-hydroxy-6-(4-methoxyphenyl)-1-cyclohexene-1-carboxylate",NA,"COC1=CC=C(C=C1)C2CCC(C=C2C(=O)OC)O","LRFDUKQREILRFF-UHFFFAOYSA-N",372279,NA,"PDBC39288","647337","Present",NA,NA
+"39289","Methyl 3-hydroxy-6a-methyl-2-phenyl-3a,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-hydroxy-6a-methyl-2-phenyl-3a,4,5,6-tetrahydrocyclopenta[b]pyrrole-3-carboxylate",NA,"CC12CCCC1C(C(=N2)C3=CC=CC=C3)(C(=O)OC)O","BNQJIQUKZYYSPE-UHFFFAOYSA-N",394450,NA,"PDBC39289","697924","Present",NA,NA
+"39290","Methyl 3-hydroxy-6a-methyl-2-phenyloctahydrocyclopenta[b]pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-hydroxy-6a-methyl-2-phenyloctahydrocyclopenta[b]pyrrole-3-carboxylate",NA,"CC12CCCC1C(C(N2)C3=CC=CC=C3)(C(=O)OC)O","QGHFEMXCFXYVOM-UHFFFAOYSA-N",394451,NA,"PDBC39290","697925","Present",NA,NA
+"39291","Methyl 3-methyl-7-(4-nitrophenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-methyl-7-(4-nitrophenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate",NA,"CC1=NN(C2=C1N=C(CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4","AYYLSMYUWYZQCT-UHFFFAOYSA-N",378934,NA,"PDBC39291","662442","Present",NA,NA
+"39292","Methyl 3-oxo-1,2,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[f]inden-2-carboxylic acid, 2,3,5,6,7,8-hexahydro...",NA,"COC(=O)C1CC2=C(C1=O)C=C3CCCCC3=C2","YEQUBSPQHUNXLU-UHFFFAOYSA-N",382674,NA,"PDBC39292","670322","Present",NA,NA
+"39293","Methyl 3-oxo-3-((3-(phenylsulfonyl)-2-thienyl)amino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-oxo-3-((3-(phenylsulfonyl)-2-thienyl)amino)propanoate",NA,"COC(=O)CC(=O)NC1=C(C=CS1)S(=O)(=O)C2=CC=CC=C2","ZAQAESJURUGEMS-UHFFFAOYSA-N",393674,NA,"PDBC39293","696050","Present",NA,NA
+"39294","Methyl 3-oxo-3-((phenylthio)oxy)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-oxo-3-((phenylthio)oxy)propanoate",NA,"COC(=O)CC(=O)OSC1=CC=CC=C1","SFEKILOBONIHEG-UHFFFAOYSA-N",373265,NA,"PDBC39294","649417","Present",NA,NA
+"39295","Methyl 3-oxo-3-[(4-oxocyclohexen-1-yl)methylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-oxo-3-[(4-oxocyclohexen-1-yl)methylamino]propanoate",NA,"COC(=O)CC(=O)NCC1=CCC(=O)CC1","HLLXAMATACITDC-UHFFFAOYSA-N",359545,NA,"PDBC39295","620529","Present",NA,NA
+"39296","Methyl 3-phenyl-2-[[4-[(1Z,4Z,9Z,15Z)-10,15,20-tris[4-[(1-benzyl-2-methoxy-2-oxo-ethyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]sulfonylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-phenyl-2-[[4-[10,15,20-tris[4-[(1-methoxy-1-oxo-3-phenylpropan-2-yl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]sulfonylamino]propanoate",NA,"COC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=C(C=C8)S(=O)(=O)NC(CC9=CC=CC=C9)C(=O)OC)C1=CC=C(C=C1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)OC)C=C5)C1=CC=C(C=C1)S(=O)(=O)NC(CC1=CC=CC=C1)C(=O)OC)N4","XKLHHWPKWJNQTQ-UHFFFAOYSA-N",16129817,NA,"PDBC39296","681457","Present",NA,NA
+"39297","Methyl 3-phenyl-3-(2-phenyl-1,3-dithiolan-2-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-phenyl-3-(2-phenyl-1,3-dithiolan-2-yl)propanoate",NA,"COC(=O)CC(C1=CC=CC=C1)C2(SCCS2)C3=CC=CC=C3","XJHLTJCCTLDNSI-UHFFFAOYSA-N",372634,NA,"PDBC39297","648083","Present",NA,NA
+"39298","Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylate",NA,"COC(=O)C1CCC2=NN=C(N12)C3=CC=CC=C3","AMTYBEMFFVEGHG-UHFFFAOYSA-N",365484,NA,"PDBC39298","633117","Present",NA,NA
+"39299","Methyl 3-spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-ylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-ylpropanoate",NA,"COC(=O)CCC1=CC2=C(CC3(C2)CC4=C(C3)C5=C(CCC5)C=C4)C=C1","DQLFKPLUAHTQNN-UHFFFAOYSA-N",385721,NA,"PDBC39299","677067","Present",NA,NA
+"39300","Methyl 3a-methyl-4-oxo-1,2,3,3a,4,8a-hexahydro-2-azulenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3a-methyl-4-oxo-1,2,3,3a,4,8a-hexahydro-2-azulenecarboxylate",NA,"CC12CC(CC1C=CC=CC2=O)C(=O)OC","VJABCSRKLJZUIR-UHFFFAOYSA-N",371880,NA,"PDBC39300","646445","Present",NA,NA
+"39301","Methyl 3a-methyl-7-oxo-3,3a,4,5-tetrahydro-7H-pyrazolo[1,5-a][5,1]benzoxazocine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-methyl-10-oxo-9-oxa-2,3-diazatricyclo[9.4.0.02,6]pentadeca-1(15),3,11,13-tetraene-4-carboxylate",NA,"CC12CCOC(=O)C3=CC=CC=C3N1N=C(C2)C(=O)OC","IRGIKRIYYDQHQY-UHFFFAOYSA-N",385045,NA,"PDBC39301","675966","Present",NA,NA
+"39302","Methyl 4,20-bis(2-methylpropyl)-2,5,8,16,19,22-hexaoxo-7,17-dipropyl-3,6,9,15,18,21,27-heptazabicyclo[21.3.1]heptacosa-1(26),23(27),24-triene-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4,20-bis(2-methylpropyl)-2,5,8,16,19,22-hexaoxo-7,17-dipropyl-3,6,9,15,18,21,27-heptazabicyclo[21.3.1]heptacosa-1(26),23(27),24-triene-10-carboxylate",NA,"CCCC1C(=O)NCCCCC(NC(=O)C(NC(=O)C(NC(=O)C2=CC=CC(=N2)C(=O)NC(C(=O)N1)CC(C)C)CC(C)C)CCC)C(=O)OC","QROBOPCWRIXSKJ-UHFFFAOYSA-N",403892,NA,"PDBC39302","719476","Present",NA,NA
+"39303","Methyl 4,5-dibromo-1-methylpyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH2346213",NA,"CN1C(=CC(=C1Br)Br)C(=O)OC","UTOZAUBXQWRZIF-UHFFFAOYSA-N",360185,NA,"PDBC39303","622156","Present",NA,NA
+"39304","Methyl 4,6-dimethyl-2-pyridinyldithiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4,6-dimethyl-2-pyridinyldithiocarbamate",NA,"CC1=CC(=NC(=C1)NC(=S)SC)C","LUAMXMOQEXBAHW-UHFFFAOYSA-N",3005021,NA,"PDBC39304","667883","Present",NA,NA
+"39305","Methyl 4-(((((1-chloro-2-methylpropylidene)amino)oxy)carbonyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, 2-methyl-N-[[[[4-(methoxy- carbo...",NA,"CC(C)C(=NOC(=O)NC1=CC=C(C=C1)C(=O)OC)Cl","OTPODGQXPCDHKS-WJDWOHSUSA-N",9556252,NA,"PDBC39305","682829","Present",NA,NA
+"39306","Methyl 4-(((3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)-2-hydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[(3,6-dioxo-1,4-cyclohexadienylmethyl]a...",NA,"COC(=O)C1=C(C=C(C=C1)NCC2=CC(=O)C=CC2=O)O","MSZWFUNQRVBYKU-UHFFFAOYSA-N",390795,NA,"PDBC39306","688791","Present",NA,NA
+"39307","Methyl 4-((2,3-dimethoxy-6-quinoxalinyl)methoxy)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((2,3-dimethoxy-6-quinoxalinyl)methoxy)benzoate",NA,"COC1=NC2=C(C=C(C=C2)COC3=CC=C(C=C3)C(=O)OC)N=C1OC","MIOROHOHEQJBBS-UHFFFAOYSA-N",374658,NA,"PDBC39307","652758","Present",NA,NA
+"39308","Methyl 4-((2,5-dihydroxybenzyl)amino)-2-hydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-hydroxy-4-[[(2,5-dihydroxyphenyl)-methyl...",NA,"COC(=O)C1=C(C=C(C=C1)NCC2=C(C=CC(=C2)O)O)O","UKKCCABWWBKWOE-UHFFFAOYSA-N",390508,NA,"PDBC39308","687945","Present",NA,NA
+"39309","Methyl 4-((2-(methylamino)-2-oxoethyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((2-(methylamino)-2-oxoethyl)amino)-4-oxobutanoate",NA,"CNC(=O)CNC(=O)CCC(=O)OC","XPSQNILYEPSFCE-UHFFFAOYSA-N",391820,NA,"PDBC39309","691407","Present",NA,NA
+"39310","Methyl 4-((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methoxy)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((2-oxo-3-phenyl-2H-1,4-benzoxazin-6-yl)methoxy)benzoate",NA,"COC(=O)C1=CC=C(C=C1)OCC2=CC3=C(C=C2)OC(=O)C(=N3)C4=CC=CC=C4","GRBXHWPKQLQOAY-UHFFFAOYSA-N",374659,NA,"PDBC39310","652759","Present",NA,NA
+"39311","Methyl 4-((3-(2-methoxyanilino)-3-oxopropanoyl)hydrazono)-4H-chromene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((3-(2-methoxyanilino)-3-oxopropanoyl)hydrazono)-4H-chromene-2-carboxylate",NA,"COC1=CC=CC=C1NC(=O)CC(=O)NN=C2C=C(OC3=CC=CC=C32)C(=O)OC","ZKBLTTCSYKRFKG-HZHRSRAPSA-N",9571320,NA,"PDBC39311","642577","Present",NA,NA
+"39312","Methyl 4-((3-(methylamino)-3-oxopropyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((3-(methylamino)-3-oxopropyl)amino)-4-oxobutanoate",NA,"CNC(=O)CCNC(=O)CCC(=O)OC","AVYKWPXNZNFCPS-UHFFFAOYSA-N",391821,NA,"PDBC39312","691408","Present",NA,NA
+"39313","Methyl 4-((3-chloro-2-phenyl-6-quinoxalinyl)methoxy)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(3-chloro-2-phenylquinoxalin-6-yl)methoxy]benzoate",NA,"COC(=O)C1=CC=C(C=C1)OCC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","WANUSUHTLCEOQB-UHFFFAOYSA-N",392815,NA,"PDBC39313","693771","Present",NA,NA
+"39314","Methyl 4-((3-chloro-4-((3-chloro-4-methoxyphenyl)amino)-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)methyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 4-[3-chloro-4-(3-chloro-4-methoxyanilino)-2,5-dio...",NA,"COC1=C(C=C(C=C1)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)OC)Cl)Cl","LPCKQFWXVFWOJI-UHFFFAOYSA-N",1179343,NA,"PDBC39314","730202","Present",NA,NA
+"39315","Methyl 4-((3-oxo-3-(4-toluidino)propanoyl)hydrazono)-4H-chromene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((3-oxo-3-(4-toluidino)propanoyl)hydrazono)-4H-chromene-2-carboxylate",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)NN=C2C=C(OC3=CC=CC=C32)C(=O)OC","KNBWLAJELSZZCK-XQNSMLJCSA-N",9571355,NA,"PDBC39315","647946","Present",NA,NA
+"39316","Methyl 4-((5-imino-4,5-dihydro-1H-1,2,4-triazol-3-yl)(methyl)amino)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((5-imino-4,5-dihydro-1H-1,2,4-triazol-3-yl)(methyl)amino)butanoate",NA,"CN(CCCC(=O)OC)C1=NNC(=N1)N","HLCUXOLUMPPJHT-UHFFFAOYSA-N",375251,NA,"PDBC39316","654640","Present",NA,NA
+"39317","Methyl 4-((6-hydroxy-9H-purin-2-yl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((6-hydroxy-9H-purin-2-yl)amino)benzoate",NA,"COC(=O)C1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)NC=N3","NTDDDDAKZSTFIS-UHFFFAOYSA-N",135440027,NA,"PDBC39317","685821","Present",NA,NA
+"39318","Methyl 4-((6-methoxy-1,3-benzothiazol-2-yl)amino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((6-methoxy-1,3-benzothiazol-2-yl)amino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3=NC4=CC=CC=C4N=C3)C(=O)OC","CSKSCPISDXDWDO-UHFFFAOYSA-N",370973,NA,"PDBC39318","644778","Present",NA,NA
+"39319","Methyl 4-((diisopropylamino)carbonyl)-1-cubanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((diisopropylamino)carbonyl)-1-cubanecarboxylate",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)OC","KFBVQERYTLADNP-UHFFFAOYSA-N",369203,NA,"PDBC39319","640909","Present",NA,NA
+"39320","Methyl 4-((dimethylamino)methylene)-5-thioxo-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-((dimethylamino)methylene)-5-thioxo-2-pyrrolidinecarboxylate",NA,"CN(C)C=C1CC(NC1=S)C(=O)OC","SEOGUMAXOKMHEU-WAYWQWQTSA-N",3005350,NA,"PDBC39320","693717","Present",NA,NA
+"39321","Methyl 4-((phenylsulfonyl)methyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KWNRUGXHMFZYBW-UHFFFAOYSA-N",NA,"COC(=O)C1=CC=C(C=C1)CS(=O)(=O)C2=CC=CC=C2","KWNRUGXHMFZYBW-UHFFFAOYSA-N",364981,NA,"PDBC39321","631883","Present",NA,NA
+"39322","Methyl 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(1,3-diphenylpyrazol-4-yl)-2-methyl-5-oxo-1,4-dihydroindeno[1,2-b]pyridine-3-carboxylate",NA,"CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC","OLRVJGHTEQBRGJ-UHFFFAOYSA-N",391365,NA,"PDBC39322","690396","Present",NA,NA
+"39323","Methyl 4-(2,2-dicyanovinyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Carbomethoxybenzylidene malononitrile",NA,"COC(=O)C1=CC=C(C=C1)C=C(C#N)C#N","FBOCHORMPUIPSN-UHFFFAOYSA-N",370248,NA,"PDBC39323","643021","Present",NA,NA
+"39324","Methyl 4-(2,3-dihydro-1H-inden-5-yl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2,3-dihydro-1H-inden-5-yl)butanoate",NA,"COC(=O)CCCC1=CC2=C(CCC2)C=C1","ANNMRZKVFBPRIB-UHFFFAOYSA-N",382784,NA,"PDBC39324","670462","Present",NA,NA
+"39325","Methyl 4-(2,3-dimethylanilino)-2,4-dioxo-3-(3-oxo-4H-1,4-benzothiazin-2-yl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2,3-dimethylanilino)-2,4-dioxo-3-(3-oxo-4H-1,4-benzothiazin-2-yl)butanoate",NA,"CC1=C(C(=CC=C1)NC(=O)C(C2C(=O)NC3=CC=CC=C3S2)C(=O)C(=O)OC)C","VRWUFOWKVHBEPN-UHFFFAOYSA-N",366854,NA,"PDBC39325","635833","Present",NA,NA
+"39326","Methyl 4-(2,4-bis(hydroxy(oxido)amino)anilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2,4-dinitroanilino)-2-[(3-hydroxyquinoxalin-2-yl)methyl]-3,4-dioxo-butanoate",NA,"COC(=O)C(CC1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","NOXQZKBPFDABGM-UHFFFAOYSA-N",369831,NA,"PDBC39326","642028","Present",NA,NA
+"39327","Methyl 4-(2,4-dichloroanilino)-2-(diethoxyphosphoryl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2,4-dichloroanilino)-2-(diethoxyphosphoryl)-3,4-dioxobutanoate",NA,"CCOP(=O)(C(C(=O)C(=O)NC1=C(C=C(C=C1)Cl)Cl)C(=O)OC)OCC","WUPIDXQOYUEVQZ-UHFFFAOYSA-N",369550,NA,"PDBC39327","641411","Present",NA,NA
+"39328","Methyl 4-(2,4-dimethylanilino)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2,4-dimethylanilino)-2-(3-hydroxy-6-nitro-quinoxalin-2-yl)-3,4-dioxo-butanoate",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC)C","BMHSUUWBFKIQTK-UHFFFAOYSA-N",370936,NA,"PDBC39328","644741","Present",NA,NA
+"39329","Methyl 4-(2,4-dimethylanilino)-2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2,4-dimethylanilino)-2-[2-(3,5-diphenylpyrazol-1-yl)thiazol-4-yl]-3,4-dioxo-butanoate",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=CSC(=N2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)C","DCRXTSKMUJEZLD-UHFFFAOYSA-N",370985,NA,"PDBC39329","644791","Present",NA,NA
+"39330","Methyl 4-(2,5-dichloroanilino)-3-hydrazono-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3Z)-4-(2,5-dichloroanilino)-3-hydrazinylidene-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate",NA,"COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=NN)C(=O)NC3=C(C=CC(=C3)Cl)Cl","VRDYVBUXWBMQOP-QQXSKIMKSA-N",9571294,NA,"PDBC39330","641435","Present",NA,NA
+"39331","Methyl 4-(2,5-dichloroanilino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_021323",NA,"COC(=O)CCC(=O)NC1=C(C=CC(=C1)Cl)Cl","SIGQHBKVTTZWGQ-UHFFFAOYSA-N",366182,NA,"PDBC39331","634509","Present",NA,NA
+"39332","Methyl 4-(2,5-dimethylanilino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_019687",NA,"CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)OC","VKDSCVMZULZEKS-UHFFFAOYSA-N",366157,NA,"PDBC39332","634484","Present",NA,NA
+"39333","Methyl 4-(2,6-dichloro-4-(hydroxy(oxido)amino)anilino)-2-(3-hydroxy-6,7-dimethyl-2-quinoxalinyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2,6-dichloro-4-nitroanilino)-2-(6,7-dimethyl-3-oxo-4H-quinoxalin-2-yl)-3,4-dioxobutanoate",NA,"CC1=CC2=C(C=C1C)N=C(C(=O)N2)C(C(=O)C(=O)NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)C(=O)OC","HDRHMMVVMTWOGA-UHFFFAOYSA-N",370937,NA,"PDBC39333","644742","Present",NA,NA
+"39334","Methyl 4-(2,6-dichloro-4-(hydroxy(oxido)amino)anilino)-3-(hydroxyamino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2,6-dichloro-4-nitroanilino)-3-(hydroxyamino)-4-oxo-2-[(3-oxo-4H-quinoxalin-2-yl)methyl]butanoate",NA,"COC(=O)C(CC1=NC2=CC=CC=C2NC1=O)C(C(=O)NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)NO","DLFSBODNONZSHV-UHFFFAOYSA-N",369542,NA,"PDBC39334","641403","Present",NA,NA
+"39335","Methyl 4-(2,6-diisopropylanilino)-3,4-dioxo-2-(2-oxo-2-(4-toluidino)ethyl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2,6-diisopropylanilino)-3,4-dioxo-2-(2-oxo-2-(4-toluidino)ethyl)butanoate",NA,"CC1=CC=C(C=C1)NC(=O)CC(C(=O)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)C(=O)OC","AIVPBQFJQLZJJC-UHFFFAOYSA-N",366760,NA,"PDBC39335","635533","Present",NA,NA
+"39336","Methyl 4-(2,6-dimethylanilino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2,6-dimethylanilino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3N=C2)C(=O)OC","BFAYDCLEUORUPP-UHFFFAOYSA-N",370952,NA,"PDBC39336","644757","Present",NA,NA
+"39337","Methyl 4-(2-(2,5-dihydroxyphenyl)ethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[2-(2,5-dihydroxyphenyl)ethyl]-, methyl ...",NA,"COC(=O)C1=CC=C(C=C1)CCC2=C(C=CC(=C2)O)O","RNNJTHBMRWCVPA-UHFFFAOYSA-N",387402,NA,"PDBC39337","681152","Present",NA,NA
+"39338","Methyl 4-(2-(2,5-dihydroxyphenyl)vinyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[2-[2,5-dihydroxyphenyl]ethenyl]-, methy...",NA,"COC(=O)C1=CC=C(C=C1)C=CC2=C(C=CC(=C2)O)O","LGDMRZNFTVQINZ-QPJJXVBHSA-N",5468975,NA,"PDBC39338","680561","Present",NA,NA
+"39339","Methyl 4-(2-(3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[2-(3,6-dioxo-1,4-cyclohexadienyl)-ethyl...",NA,"COC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C=CC2=O","BTNNCURRMDNBNL-UHFFFAOYSA-N",387145,NA,"PDBC39339","680649","Present",NA,NA
+"39340","Methyl 4-(2-(4-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)ethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[2-[4-bromo-3,6-dioxo-1,4-cyclohexadienyl]ethyl...",NA,"COC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C(=CC2=O)Br","PDYFADHVQVCWHT-UHFFFAOYSA-N",389287,NA,"PDBC39340","685105","Present",NA,NA
+"39341","Methyl 4-(2-(allyloxy)ethyl)-3-oxo-6-heptenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-(allyloxy)ethyl)-3-oxo-6-heptenoate",NA,"COC(=O)CC(=O)C(CCOCC=C)CC=C","NYICBDVKJQJALA-UHFFFAOYSA-N",373310,NA,"PDBC39341","649456","Present",NA,NA
+"39342","Methyl 4-(2-(phenylsulfonyl)vinyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-(phenylsulfonyl)vinyl)benzoate",NA,"COC(=O)C1=CC=C(C=C1)C=CS(=O)(=O)C2=CC=CC=C2","SEBVLNSOLFYBST-VAWYXSNFSA-N",5388094,NA,"PDBC39342","631809","Present",NA,NA
+"39343","Methyl 4-(2-acetylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-acetylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate",NA,"CC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","NWTHLIWIZUXDIM-UHFFFAOYSA-N",369265,NA,"PDBC39343","640996","Present",NA,NA
+"39344","Methyl 4-(2-adamantylamino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-adamantylamino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate",NA,"COC(=O)C(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C(=O)NC2C3CC4CC(C3)CC2C4","NSKIGJAJCKPNME-UHFFFAOYSA-N",364313,NA,"PDBC39344","630331","Present",NA,NA
+"39345","Methyl 4-(2-adamantylamino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z284136310",NA,"COC(=O)CCC(=O)NC1C2CC3CC(C2)CC1C3","QHDRJRSNUXDCSU-UHFFFAOYSA-N",366520,NA,"PDBC39345","635129","Present",NA,NA
+"39346","Methyl 4-(2-aminoethylamino)-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-aminoethylamino)-8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;hydrochloride",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=C4C=C(N5)C(=O)OC)NCCN)CCl)OC)OC.Cl","VATFORKEFUIOMK-UHFFFAOYSA-N",396194,NA,"PDBC39346","701745","Present",NA,NA
+"39347","Methyl 4-(2-chloro-5-(trifluoromethyl)anilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-4-(2-chloro-5-(trifluoromethyl)phenyl amino)-2-((...",NA,"COC(=O)C(CC1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl","YDNCGIHJMIZJEE-UHFFFAOYSA-N",372936,NA,"PDBC39347","648648","Present",NA,NA
+"39348","Methyl 4-(2-cyanoanilino)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-cyanoanilino)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3,4-dioxobutanoate",NA,"COC(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=CC=C3C#N","QMUAXERUCRHCGR-UHFFFAOYSA-N",372923,NA,"PDBC39348","648635","Present",NA,NA
+"39349","Methyl 4-(2-ethoxyanilino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-ethoxyanilino)-4-oxobutanoate",NA,"CCOC1=CC=CC=C1NC(=O)CCC(=O)OC","XPJHEDZGXNICLS-UHFFFAOYSA-N",366960,NA,"PDBC39349","636122","Present",NA,NA
+"39350","Methyl 4-(2-ethyl-6-isopropylanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-ethyl-6-isopropylanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(CC2=NC3=CC=CC=C3NC2=O)C(=O)OC","HIZPXEKYWKIHGU-UHFFFAOYSA-N",369798,NA,"PDBC39350","641991","Present",NA,NA
+"39351","Methyl 4-(2-iodo(methyl)anilino)-3-methyl-4-oxo-2-butenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-iodo(methyl)anilino)-3-methyl-4-oxo-2-butenoate",NA,"CC(=CC(=O)OC)C(=O)N(C)C1=CC=CC=C1I","CJFVBTXRFGQXTK-CMDGGOBGSA-N",5469949,NA,"PDBC39351","694677","Present",NA,NA
+"39352","Methyl 4-(2-isopropylanilino)-3,4-dioxo-2-(2-oxo-2-(4-toluidino)ethyl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-isopropylanilino)-3,4-dioxo-2-(2-oxo-2-(4-toluidino)ethyl)butanoate",NA,"CC1=CC=C(C=C1)NC(=O)CC(C(=O)C(=O)NC2=CC=CC=C2C(C)C)C(=O)OC","LIWDZMHYWVWDLL-UHFFFAOYSA-N",366774,NA,"PDBC39352","635547","Present",NA,NA
+"39353","Methyl 4-(2-methyl-1-aziridinyl)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-methyl-1-aziridinyl)-4-oxobutanoate",NA,"CC1CN1C(=O)CCC(=O)OC","WXDSVKZIHNLBES-UHFFFAOYSA-N",373290,NA,"PDBC39353","649441","Present",NA,NA
+"39354","Methyl 4-(2-sec-butyl-6-ethylanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-sec-butyl-6-ethylanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate",NA,"CCC1=C(C(=CC=C1)C(C)CC)NC(=O)C(=O)C(CC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)OC","UBQZHEJNYHWBDO-UHFFFAOYSA-N",366310,NA,"PDBC39354","634660","Present",NA,NA
+"39355","Methyl 4-(2-tert-butyl-6-methylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(2-tert-butyl-6-methylanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC","ITBXDEYYSLVXDZ-UHFFFAOYSA-N",372915,NA,"PDBC39355","648627","Present",NA,NA
+"39356","Methyl 4-(3,4-dichloroanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(3,4-dichloroanilino)-2-(2-(3,4-dichloroanilino)-2-oxoethyl)-3,4-dioxobutanoate",NA,"COC(=O)C(CC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C(=O)NC2=CC(=C(C=C2)Cl)Cl","GZJNZEIEHIZICR-UHFFFAOYSA-N",364312,NA,"PDBC39356","630330","Present",NA,NA
+"39357","Methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-6,7-dimethoxy-3,4-dihydronaphthalene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(3,4-dimethoxyphenyl)-1-hydroxy-6,7-dimethoxy-3,4-dihydronaphthalene-2-carboxylate",NA,"COC1=C(C=C(C=C1)C2CC(=C(C3=CC(=C(C=C23)OC)OC)O)C(=O)OC)OC","MSQSANFQTDQCCM-UHFFFAOYSA-N",54676223,NA,"PDBC39357","621966","Present",NA,NA
+"39358","Methyl 4-(3,4-dimethylanilino)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-3-(methylhydrazono)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (3Z)-4-(3,4-dimethylanilino)-3-(methylhydrazinylidene)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-oxobutanoate",NA,"CC1=C(C=C(C=C1)NC(=O)C(=NNC)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)OC)C","GRAXNVGMRWCEGC-DIBXZPPDSA-N",9571284,NA,"PDBC39358","640972","Present",NA,NA
+"39359","Methyl 4-(3-methoxyanilino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(3-methoxyanilino)-3,4-dioxo-2-(2-quinoxalinyl)butanoate",NA,"COC1=CC=CC(=C1)NC(=O)C(=O)C(C2=NC3=CC=CC=C3N=C2)C(=O)OC","FOTPNUOZCOGOTR-UHFFFAOYSA-N",370955,NA,"PDBC39359","644760","Present",NA,NA
+"39360","Methyl 4-(3-methoxyphenyl)-2,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK312947",NA,"COC1=CC=CC(=C1)C(=O)CC(=O)C(=O)OC","WFBPPBRBWLJXTK-UHFFFAOYSA-N",308120,NA,"PDBC39360","208706","Present",NA,NA
+"39361","Methyl 4-(3-thiophen-2-ylquinoxalin-2-yl)oxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[3-(2-thienyl)quinoxalin-2-yl]oxybenzoate",NA,"COC(=O)C1=CC=C(C=C1)OC2=NC3=CC=CC=C3N=C2C4=CC=CS4","LAPAPGUYNQCART-UHFFFAOYSA-N",388002,NA,"PDBC39361","682365","Present",NA,NA
+"39362","Methyl 4-(4-allyloxy-3-methoxy-phenyl)-3,6-dihydroxy-6-methyl-2,4,5,7-tetrahydroindazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-hydroxy-4-(3-methoxy-4-prop-2-enoxyphenyl)-6-methyl-3-oxo-2,4,5,7-tetrahydro-1H-indazole-5-carboxylate",NA,"CC1(CC2=C(C(C1C(=O)OC)C3=CC(=C(C=C3)OCC=C)OC)C(=O)NN2)O","AZPFPGITHOVFNR-UHFFFAOYSA-N",392848,NA,"PDBC39362","693860","Present",NA,NA
+"39363","Methyl 4-(4-amino-2-(hydroxy(oxido)amino)anilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(4-amino-2-nitro-anilino)-2-(6-chloro-3-hydroxy-quinoxalin-2-yl)-3,4-dioxo-butanoate",NA,"COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)N)[N+](=O)[O-]","OZVPNBFAEZUYSK-UHFFFAOYSA-N",4662144,NA,"PDBC39363","641000","Present",NA,NA
+"39364","Methyl 4-(4-bromoanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(4-bromoanilino)-2-(6-chloro-3-hydroxy-2-quinoxalinyl)-3,4-dioxobutanoate",NA,"COC(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)Br","AVPUTFDJZWJUFA-UHFFFAOYSA-N",369262,NA,"PDBC39364","640993","Present",NA,NA
+"39365","Methyl 4-(4-bromophenyl)-2-(2-(diphenylmethylene)hydrazino)-4-oxo-2-butenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(4-bromophenyl)-2-(2-(diphenylmethylene)hydrazino)-4-oxo-2-butenoate",NA,"COC(=O)C(=CC(=O)C1=CC=C(C=C1)Br)NN=C(C2=CC=CC=C2)C3=CC=CC=C3","QOGIMCRHQFGYQR-LTGZKZEYSA-N",6477401,NA,"PDBC39365","658710","Present",NA,NA
+"39366","Methyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(4-chloro-2-methylanilino)-4-oxobutanoate",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CCC(=O)OC","USCBWLOUGYDXQV-UHFFFAOYSA-N",361068,NA,"PDBC39366","623872","Present",NA,NA
+"39367","Methyl 4-(4-fluoroanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(4-fluoroanilino)-2-((3-hydroxy-2-quinoxalinyl)methyl)-3,4-dioxobutanoate",NA,"COC(=O)C(CC1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)F","FDGBLPYHPVKNQR-UHFFFAOYSA-N",371994,NA,"PDBC39367","646810","Present",NA,NA
+"39368","Methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-(2-iodo-3,4,5-trimethoxybenzyl)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(6-iodo-1,3-benzodioxol-5-yl)-2-(2-iodo-3,4,5-trimethoxybenzyl)-4-oxobutanoate",NA,"COC1=C(C(=C(C(=C1)CC(CC(=O)C2=CC3=C(C=C2I)OCO3)C(=O)OC)I)OC)OC","KNNVJBLVTPIQRO-UHFFFAOYSA-N",372642,NA,"PDBC39368","648096","Present",NA,NA
+"39369","Methyl 4-(acetyloxy)-5,8-dimethoxy-2-naphthoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(acetyloxy)-5,8-dimethoxy-2-naphthoate",NA,"CC(=O)OC1=CC(=CC2=C(C=CC(=C12)OC)OC)C(=O)OC","NUCVDHNQGBLXRH-UHFFFAOYSA-N",361846,NA,"PDBC39369","625162","Present",NA,NA
+"39370","Methyl 4-(benzyloxycarbonylamino)-3-[(4-methoxyphenyl)methoxy]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(benzyloxycarbonylamino)-3-[(4-methoxyphenyl)methoxy]butanoate",NA,"COC1=CC=C(C=C1)COC(CC(=O)OC)CNC(=O)OCC2=CC=CC=C2","DQPUSDNUQDLUNG-UHFFFAOYSA-N",390245,NA,"PDBC39370","687537","Present",NA,NA
+"39371","Methyl 4-(ethylthio)-2-(4-methoxybenzyl)-2,5-dihydro-1H-pyrrole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-(ethylthio)-2-(4-methoxybenzyl)-2,5-dihydro-1H-pyrrole-1-carboxylate",NA,"CCSC1=CC(N(C1)C(=O)OC)CC2=CC=C(C=C2)OC","RGANXAPVGHFFQT-UHFFFAOYSA-N",370809,NA,"PDBC39371","644331","Present",NA,NA
+"39372","Methyl 4-O,6-O-[(R)-benzylidene]-2,3-(3-pentene-1,5-diyl)-3-deoxy-alpha-D-glucopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S,2S,4R,7R,9S,10R)-9-Methoxy-4-phenyl-3,5,8-trioxatricyclo[8.5.0.02,7]pentadec-13-en-10-ol",NA,"COC1C2(CCC=CCC2C3C(O1)COC(O3)C4=CC=CC=C4)O","QEYSNQPKOJAAMW-UDFCFZJOSA-N",401675,NA,"PDBC39372","715405","Present",NA,NA
+"39373","Methyl 4-O-acetyl-2,6,-trideoxy-3-N-trifluoroacetamido-L-lyxo-hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-O-acetyl-2,3,6,-trideoxy-3-N-trifluoroacetamido...",NA,"CC1C(C(CC(O1)OC)NC(=O)C(F)(F)F)OC(=O)C","XMAFQPWDTCGCJH-UHFFFAOYSA-N",367307,NA,"PDBC39373","636874","Present",NA,NA
+"39374","Methyl 4-Piperidinyl-5-phenyl-1H-pyrazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-Piperidinyl-5-phenyl-1H-pyrazole-3-carboxylate",NA,"COC(=O)C1=C(C(=NN1)C2=CC=CC=C2)N3CCCCC3","JOZCSCJFWTYNLT-UHFFFAOYSA-N",406390,NA,"PDBC39374","724454","Present",NA,NA
+"39375","Methyl 4-[(1,4-dihydroxynaphthalen-2-yl)methylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[2-(1,4-dihydroxynaphthalenyl)methyl]am...",NA,"COC(=O)C1=CC=C(C=C1)NCC2=C(C3=CC=CC=C3C(=C2)O)O","VCIGMSXFBWIQPP-UHFFFAOYSA-N",387584,NA,"PDBC39375","681541","Present",NA,NA
+"39376","Methyl 4-[(1,4-dioxonaphthalen-2-yl)methylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[2-(1,4-dioxonaphthalenyl)methyl]amino]...",NA,"COC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C3=CC=CC=C3C2=O","JJDSELOYDNQKKK-UHFFFAOYSA-N",387487,NA,"PDBC39376","681288","Present",NA,NA
+"39377","Methyl 4-[(2,5-dimethoxyphenyl)methylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[(2,5-dimethoxyphenyl)methyl]amino]-, m...",NA,"COC1=CC(=C(C=C1)OC)CNC2=CC=C(C=C2)C(=O)OC","GSJMLMKCMARLRA-UHFFFAOYSA-N",385330,NA,"PDBC39377","676448","Present",NA,NA
+"39378","Methyl 4-[(2-carbazol-9-ylacetyl)amino]-1-methylpyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(9h-carbazol-9-ylacetyl)amino]-1-methyl-1h-pyrrole-2-carboxylate",NA,"CN1C=C(C=C1C(=O)OC)NC(=O)CN2C3=CC=CC=C3C4=CC=CC=C42","MCEWGRKQJJGVAX-UHFFFAOYSA-N",404101,NA,"PDBC39378","720222","Present",NA,NA
+"39379","Methyl 4-[(3,4,5-trimethoxybenzoyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Carbmethoxyphenyl)-3,4,5-Trimethoxy Benzamide",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C(=O)OC","IXKWTAAJCJAUIL-UHFFFAOYSA-N",364704,NA,"PDBC39379","631358","Present",NA,NA
+"39380","Methyl 4-[(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)amino]-2-[2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]-2-[2-(3,5-diphenylpyrazol-1-yl)-1,3-thiazol-4-yl]-3,4-dioxobutanoate",NA,"COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","CMOZJHRSCJTGLV-UHFFFAOYSA-N",371547,NA,"PDBC39380","645876","Present",NA,NA
+"39381","Methyl 4-[(4-bromo-2,6-dimethylphenyl)amino]-2-(diethoxyphosphoryl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(4-bromo-2,6-dimethylphenyl)amino]-2-(diethoxyphosphoryl)-3,4-dioxobutanoate",NA,"CCOP(=O)(C(C(=O)C(=O)NC1=C(C=C(C=C1C)Br)C)C(=O)OC)OCC","BWAYFKSLZWCBKV-UHFFFAOYSA-N",369549,NA,"PDBC39381","641410","Present",NA,NA
+"39382","Methyl 4-[(5-methyl-4,6-dioxo-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-2-yl)amino]-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(5-methyl-4,6-dioxo-3,5,7-triazatetracyclo[7.7.1.03,7.013,17]heptadeca-1(16),9,11,13(17),14-pentaen-2-yl)amino]-4-oxobutanoate",NA,"CN1C(=O)N2CC3=CC=CC4=C3C(=CC=C4)C(N2C1=O)NC(=O)CCC(=O)OC","KSQBEQYLWTZYAJ-UHFFFAOYSA-N",391926,NA,"PDBC39382","691606","Present",NA,NA
+"39383","Methyl 4-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(6-oxobenzo[c]chromen-2-yl)carbamoylamino]benzoate",NA,"COC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC3=C(C=C2)OC(=O)C4=CC=CC=C43","VIWCAFVJTHPCMM-UHFFFAOYSA-N",45028029,NA,"PDBC39383","740799","Present",NA,NA
+"39384","Methyl 4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]benzoate",NA,"CC1=NN(C(=C1)N=CC2=CC=C(C=C2)C(=O)OC)C3=CC=CC=C3","HKFLGFZCYVFDIQ-DEDYPNTBSA-N",9572413,NA,"PDBC39384","715229","Present",NA,NA
+"39385","Methyl 4-[(E)-[(4-cyanophenoxy)methyl-methyl-amino]azo]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(E)-[(4-cyanophenoxy)methyl-methyl-amino]azo]benzoate",NA,"CN(COC1=CC=C(C=C1)C#N)N=NC2=CC=C(C=C2)C(=O)OC","CYMNQFNTWQBCCZ-UHFFFAOYSA-N",380061,NA,"PDBC39385","665362","Present",NA,NA
+"39386","Methyl 4-[(Z)-(3-oxo-1-benzofuran-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(Z)-(3-oxobenzofuran-2-ylidene)methyl]benzoate",NA,"COC(=O)C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3O2","YLCDLTYEVOEKRA-GDNBJRDFSA-N",5467626,NA,"PDBC39386","657005","Present",NA,NA
+"39387","Methyl 4-[({4-[(1H-indol-3-ylacetyl)amino]-1-methyl-1H-pyrrol-2-yl}carbonyl)amino]-1-methyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[[4-[[2-(1H-indol-3-yl)acetyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)OC)C)NC(=O)CC3=CNC4=CC=CC=C43","ZLKCIVZUTQUPIN-UHFFFAOYSA-N",404103,NA,"PDBC39387","720224","Present",NA,NA
+"39388","Methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[({4-[bis(2-chloroethyl)amino]phenoxy}carbonyl)amino]benzoate",NA,"COC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)N(CCCl)CCCl","KSJTZCVYIBPJOW-UHFFFAOYSA-N",280453,NA,"PDBC39388","132095","Present",NA,NA
+"39389","Methyl 4-[2,3-dihydro-1H-indol-2-yl-(4-methoxyphenyl)methyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[2,3-dihydro-1H-indol-2-yl-(4-methoxyphenyl)methyl]-12-ethyl-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2(7),3,5,13-tetraene-10-carboxylate",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2O)(C(=O)OC)O)N(C5=C4C=C(C(=C5)OC)C(C6CC7=CC=CC=C7N6)C8=CC=C(C=C8)OC)C","FFFPTBHPOIDPQZ-UHFFFAOYSA-N",398271,NA,"PDBC39389","707985","Present",NA,NA
+"39390","Methyl 4-[2-(1,3-dithiolan-2-yl)cyclopentyl]but-2-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[2-(1,3-dithiolan-2-yl)cyclopentyl]but-2-ynoate",NA,"COC(=O)C#CCC1CCCC1C2SCCS2","ZBZCWMFCMVVQJC-UHFFFAOYSA-N",359607,NA,"PDBC39390","620627","Present",NA,NA
+"39391","Methyl 4-[2-(4-bromo-2,5-dihydroxyphenyl)ethyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[2-[4-bromo-2,5-dihydroxyphenyl]ethyl]benzoate",NA,"COC(=O)C1=CC=C(C=C1)CCC2=CC(=C(C=C2O)Br)O","QOUKJAZSKBNNGR-UHFFFAOYSA-N",388993,NA,"PDBC39391","684424","Present",NA,NA
+"39392","Methyl 4-[2-(4-methoxycarbonyl-1H-pyrrol-3-yl)ethyl]-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[2-(4-methoxycarbonyl-1H-pyrrol-3-yl)ethyl]-1H-pyrrole-3-carboxylate",NA,"COC(=O)C1=CNC=C1CCC2=CNC=C2C(=O)OC","ZDSBXPAUNYJILO-UHFFFAOYSA-N",361819,NA,"PDBC39392","625136","Present",NA,NA
+"39393","Methyl 4-[2-[3-(4-methoxy-4-oxo-butyl)-1H-indol-2-yl]-1H-indol-3-yl]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[2-[3-(4-methoxy-4-oxo-butyl)-1H-indol-2-yl]-1H-indol-3-yl]butanoate",NA,"COC(=O)CCCC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CCCC(=O)OC","ZNTBTLVGGWWYMV-UHFFFAOYSA-N",392236,NA,"PDBC39393","692369","Present",NA,NA
+"39394","Methyl 4-[2-[4,5-bis(hydrazinecarbonyl)triazol-1-yl]ethoxy]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[2-[4,5-bis(hydrazinecarbonyl)triazol-1-yl]ethoxy]benzoate",NA,"COC(=O)C1=CC=C(C=C1)OCCN2C(=C(N=N2)C(=O)NN)C(=O)NN","GDUZKJICZSNUFY-UHFFFAOYSA-N",386606,NA,"PDBC39394","679059","Present",NA,NA
+"39395","Methyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[3-(hydroxyamino)phenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate",NA,"CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC(=CC=C2)NO)C(=O)OC","FHTZFTCYIJCKJC-UHFFFAOYSA-N",382113,NA,"PDBC39395","669506","Present",NA,NA
+"39396","Methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]-4-oxo-1,3-thiazolidin-2-yl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]-4-oxo-1,3-thiazolidin-2-yl]benzoate",NA,"COC(=O)C1=CC=C(C=C1)C2N(C(=O)CS2)NC(=O)C(C3=CC=CC=C3)O","IVJIBZWEXLVCTM-UHFFFAOYSA-N",24205432,NA,"PDBC39396","735526","Present",NA,NA
+"39397","Methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[3-[(2-hydroxy-2-phenylacetyl)amino]-5-methyl-4-oxo-1,3-thiazolidin-2-yl]benzoate",NA,"CC1C(=O)N(C(S1)C2=CC=C(C=C2)C(=O)OC)NC(=O)C(C3=CC=CC=C3)O","UUNJLWJJPWUFOH-UHFFFAOYSA-N",24205501,NA,"PDBC39397","736055","Present",NA,NA
+"39398","Methyl 4-[3-chloro-4-(3-chloro-2-methylanilino)-2,5-dihyd ro-1H-1-pyrrolylmethyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 4-[3-chloro-4-(3-chloro-2-methylanilino)-2,5-diox...",NA,"CC1=C(C=CC=C1Cl)NC2=C(C(=O)N(C2=O)CC3=CC=C(C=C3)C(=O)OC)Cl","JLWZRISWFXACIY-UHFFFAOYSA-N",1179905,NA,"PDBC39398","732800","Present",NA,NA
+"39399","Methyl 4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[3-phenyl-6-(trifluoromethyl)quinoxalin-2-yl]oxybenzoate",NA,"COC(=O)C1=CC=C(C=C1)OC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","TZMSVUZPACUCMO-UHFFFAOYSA-N",384952,NA,"PDBC39399","675776","Present",NA,NA
+"39400","Methyl 4-[4-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolyla mino)phenylcarboxamido]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 4-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1H-...",NA,"COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","SOTICQMTINROSO-UHFFFAOYSA-N",1194965,NA,"PDBC39400","732843","Present",NA,NA
+"39401","Methyl 4-[4-(4-methoxycarbonyl-1H-pyrrol-3-yl)butyl]-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[4-(4-methoxycarbonyl-1H-pyrrol-3-yl)butyl]-1H-pyrrole-3-carboxylate",NA,"COC(=O)C1=CNC=C1CCCCC2=CNC=C2C(=O)OC","CWZAEYQGZICMST-UHFFFAOYSA-N",361820,NA,"PDBC39401","625137","Present",NA,NA
+"39402","Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[4-[bis(2-chloroethyl)amino]-2-chlorophenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate",NA,"CC1=C(C(NC(=S)N1)C2=C(C=C(C=C2)N(CCCl)CCCl)Cl)C(=O)OC","GNGWKBRASSHJEH-UHFFFAOYSA-N",4234697,NA,"PDBC39402","166051","Present",NA,NA
+"39403","Methyl 4-[5'-(4-methoxy-4-oxobutanoyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[5'-(4-methoxy-4-oxobutanoyl)-2,2'-spirobi[1,3-dihydroindene]-5-yl]-4-oxobutanoate",NA,"COC(=O)CCC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C=C(C=C4)C(=O)CCC(=O)OC)C=C1","GVTTXKYYMOVXNU-UHFFFAOYSA-N",382746,NA,"PDBC39403","670424","Present",NA,NA
+"39404","Methyl 4-[5-(4-methoxy-4-oxo-butanoyl)-2,8-dimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl]-4-oxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[5-(4-methoxy-4-oxobutanoyl)-2,8-dimethyl-6,12-dihydrobenzo[c][1,5]benzodiazocin-11-yl]-4-oxobutanoate",NA,"CC1=CC2=C(C=C1)N(CC3=C(C=CC(=C3)C)N(C2)C(=O)CCC(=O)OC)C(=O)CCC(=O)OC","BYNJBBIHDADPDN-UHFFFAOYSA-N",361907,NA,"PDBC39404","625319","Present",NA,NA
+"39405","Methyl 4-[[(4-bromophenoxy)methyl-methylamino]diazenyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[[(4-bromophenoxy)methyl-methylamino]diazenyl]benzoate",NA,"CN(COC1=CC=C(C=C1)Br)N=NC2=CC=C(C=C2)C(=O)OC","DUPCSPIHKOWLPI-UHFFFAOYSA-N",363184,NA,"PDBC39405","627857","Present",NA,NA
+"39406","Methyl 4-[[2-(1H-indol-3-yl)acetyl]amino]-1-methylpyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(1h-indol-3-ylacetyl)amino]-1-methyl-1h-pyrrole-2-carboxylate",NA,"CN1C=C(C=C1C(=O)OC)NC(=O)CC2=CNC3=CC=CC=C32","WHXQRSYIDARLMP-UHFFFAOYSA-N",404100,NA,"PDBC39406","720221","Present",NA,NA
+"39407","Methyl 4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-5-methoxy-5-oxopentanoyl)amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-3-(4-nitrophenyl)propanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-amino-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-acetamido-5-methoxy-5-oxopentanoyl)amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-oxopentanoyl]amino]-5-methoxy-5-o",NA,"CC(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)NC(CCC(=O)OC)C(=O)N","VZHXSAQDXMWAPZ-UHFFFAOYSA-N",16129797,NA,"PDBC39407","668572","Present",NA,NA
+"39408","Methyl 4-[[2-cyanoethyl(methyl)amino]diazenyl]-5-methyl-1H-pyrazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[[2-cyanoethyl(methyl)amino]diazenyl]-5-methyl-1H-pyrazole-3-carboxylate",NA,"CC1=C(C(=NN1)C(=O)OC)N=NN(C)CCC#N","XZUIPIGSXPBROB-UHFFFAOYSA-N",279936,NA,"PDBC39408","131250","Present",NA,NA
+"39409","Methyl 4-[[3,5-bis[(4-methoxycarbonylphenyl)methyl]phenyl]methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[[3,5-bis[(4-methoxycarbonylphenyl)methyl]phenyl]methyl]benzoate",NA,"COC(=O)C1=CC=C(C=C1)CC2=CC(=CC(=C2)CC3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)C(=O)OC","WUKYEICHYLOLQT-UHFFFAOYSA-N",393216,NA,"PDBC39409","694704","Present",NA,NA
+"39410","Methyl 4-[[methyl-[(4-nitrophenoxy)methyl]amino]diazenyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[[methyl-[(4-nitrophenoxy)methyl]amino]diazenyl]benzoate",NA,"CN(COC1=CC=C(C=C1)[N+](=O)[O-])N=NC2=CC=C(C=C2)C(=O)OC","WEZZLRGFYXSRCN-UHFFFAOYSA-N",363185,NA,"PDBC39410","627858","Present",NA,NA
+"39411","Methyl 4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,5-dihydro-1H-s-indacene]-4'-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,5-dihydro-1H-s-indacene]-4'-carboxylate",NA,"CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=CC6=C(CC=C6)C(=C5C4)C(=O)OC","ZYYVJLQEELHLTG-UHFFFAOYSA-N",384721,NA,"PDBC39411","674957","Present",NA,NA
+"39412","Methyl 4-amino-2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-3,4-dioxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-amino-2-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-1,3-thiazol-4-yl)-3,4-dioxobutanoate",NA,"COC(=O)C(C1=CSC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C(=O)N","VIAAEKKFZBLEJO-UHFFFAOYSA-N",370968,NA,"PDBC39412","644773","Present",NA,NA
+"39413","Methyl 4-amino-4-oxobut-2-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-amino-4-oxobut-2-ynoate",NA,"COC(=O)C#CC(=O)N","AQKCWIBXLHFMFV-UHFFFAOYSA-N",288678,NA,"PDBC39413","149967","Present",NA,NA
+"39414","Methyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrrole-2-carboxylate",NA,"CC1(C=C(C(=O)N1C2=CC=CC=C2)NC3=CC=CC=C3)C(=O)OC","BOHUAQRCGHGMHG-UHFFFAOYSA-N",366177,NA,"PDBC39414","634504","Present",NA,NA
+"39415","Methyl 4-azido-6-oxo-1-phenyl-pyridazine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-azido-6-oxo-1-phenyl-pyridazine-3-carboxylate",NA,"COC(=O)C1=NN(C(=O)C=C1N=[N+]=[N-])C2=CC=CC=C2","HMMPPCZOBHWJEZ-UHFFFAOYSA-N",375230,NA,"PDBC39415","654621","Present",NA,NA
+"39416","Methyl 4-bromo-5-(trichloroacetyl)-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-bromo-5-(trichloroacetyl)-1H-pyrrole-2-carboxylate",NA,"COC(=O)C1=CC(=C(N1)C(=O)C(Cl)(Cl)Cl)Br","ANVXTFVLALAIBQ-UHFFFAOYSA-N",392539,NA,"PDBC39416","693055","Present",NA,NA
+"39417","Methyl 4-chloro-5-methoxy-3-isothiazolecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-chloro-5-methoxy-3-isothiazolecarboxylate",NA,"COC1=C(C(=NS1)C(=O)OC)Cl","XDZIXYYJTALXDL-UHFFFAOYSA-N",379921,NA,"PDBC39417","665113","Present",NA,NA
+"39418","Methyl 4-chloro-N-cyclohexylcarbonylanthranilate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OVIZECCRTFGJFQ-UHFFFAOYSA-N",NA,"COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)C2CCCCC2","OVIZECCRTFGJFQ-UHFFFAOYSA-N",362496,NA,"PDBC39418","626519","Present",NA,NA
+"39419","Methyl 4-cyano-11-oxo-2,3,5,11-tetrahydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-cyano-11-oxo-2,3,5,11-tetrahydro-1H-cyclopenta[4,5]pyrido[1,2-a]benzimidazole-1-carboxylate",NA,"COC(=O)C1CCC2=C1C(=O)N3C4=CC=CC=C4NC3=C2C#N","OFRFEEJMQYIEIW-UHFFFAOYSA-N",373490,NA,"PDBC39419","649897","Present",NA,NA
+"39420","Methyl 4-cyano-3,3-dimethyl-1-phenyl-2-azaspiro[4.5]dec-1-ene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-cyano-3,3-dimethyl-1-phenyl-2-azaspiro[4.5]dec-1-ene-4-carboxylate",NA,"CC1(C(C2(CCCCC2)C(=N1)C3=CC=CC=C3)(C#N)C(=O)OC)C","GRQANFTXFIIASA-UHFFFAOYSA-N",388278,NA,"PDBC39420","682919","Present",NA,NA
+"39421","Methyl 4-cyano-4-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3,4-diphenylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-cyano-4-[(3,4-dimethyl-2-oxo-5-phenyl-1,3,2lambda5-oxazaphospholidin-2-yl)oxy]-3,4-diphenylbutanoate",NA,"CC1C(OP(=O)(N1C)OC(C#N)(C2=CC=CC=C2)C(CC(=O)OC)C3=CC=CC=C3)C4=CC=CC=C4","DFOVTJPPUTYXFX-UHFFFAOYSA-N",400235,NA,"PDBC39421","711753","Present",NA,NA
+"39422","Methyl 4-formyl-5-methylsulfanyl-2,3-dihydro-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-formyl-5-methylsulfanyl-2,3-dihydro-1H-pyrrole-2-carboxylate",NA,"COC(=O)C1CC(=C(N1)SC)C=O","NWUWWIACMRPGEF-UHFFFAOYSA-N",392804,NA,"PDBC39422","693723","Present",NA,NA
+"39423","Methyl 4-hydroxy-1-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinoline-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-hydroxy-1-methyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinoline-4-carboxylate",NA,"CN1CCC2C1=NC3=CC=CC=C3C2(C(=O)OC)O","WESWVYGRSHTJGF-UHFFFAOYSA-N",368401,NA,"PDBC39423","639395","Present",NA,NA
+"39424","Methyl 4-hydroxy-2-((2-hydroxyethyl)(methyl)amino)-5,8-dihydropyrido[3,4-d]pyrimidine-7(6H)-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-hydroxyethyl(methyl)amino]-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylate",NA,"CN(CCO)C1=NC2=C(CCN(C2)C(=O)OC)C(=O)N1","OIXLLXKUECLEBI-UHFFFAOYSA-N",135408991,NA,"PDBC39424","652574","Present",NA,NA
+"39425","Methyl 4-hydroxy-2-methoxybenzenecarbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-hydroxy-2-methoxybenzenecarbodithioate",NA,"COC1=C(C=CC(=C1)O)C(=S)SC","FZFAKKZFYSCZEJ-UHFFFAOYSA-N",324995,NA,"PDBC39425","292256","Present",NA,NA
+"39426","Methyl 4-hydroxy-2-quinazolinylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-hydroxy-2-quinazolinylcarbamate",NA,"COC(=O)NC1=NC2=CC=CC=C2C(=O)N1","GJYUSVQLZUWFLI-UHFFFAOYSA-N",135429915,NA,"PDBC39426","601348","Present",NA,NA
+"39427","Methyl 4-iodocubane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-iodo-1-cubanecarboxylate",NA,"COC(=O)C12C3C4C1C5C2C3C45I","YAHYLPAQBZZHKI-UHFFFAOYSA-N",369180,NA,"PDBC39427","640886","Present",NA,NA
+"39428","Methyl 4-isobutyl-9H-carbazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-isobutyl-9H-carbazole-2-carboxylate",NA,"CC(C)CC1=C2C3=CC=CC=C3NC2=CC(=C1)C(=O)OC","GEBFDDFMAUTQHN-UHFFFAOYSA-N",373651,NA,"PDBC39428","650371","Present",NA,NA
+"39429","Methyl 4-methyl-2,3,5-trioxoheptanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2,3,5-trioxoheptanoate",NA,"CCC(=O)C(C)C(=O)C(=O)C(=O)OC","QXEONMGGBQKFDY-UHFFFAOYSA-N",367363,NA,"PDBC39429","637002","Present",NA,NA
+"39430","Methyl 4-methyl-2,3-dihydro-1H-indene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2,3-dihydro-1H-indene-2-carboxylate",NA,"CC1=C2CC(CC2=CC=C1)C(=O)OC","OBIBMKREFYBXNB-UHFFFAOYSA-N",385668,NA,"PDBC39430","677014","Present",NA,NA
+"39431","Methyl 4-methyl-2-((5-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-((5-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate",NA,"CC1=CC2=C(C=C1)C(=O)C(C2)CC3=C(C=CC(=C3)C)C(=O)OC","UYFYCVUJYGALAZ-UHFFFAOYSA-N",382691,NA,"PDBC39431","670339","Present",NA,NA
+"39432","Methyl 4-methyl-2-((6-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-((6-methyl-1-oxo-2,3-dihydro-1H-inden-2-yl)methyl)benzoate",NA,"CC1=CC(=C(C=C1)C(=O)OC)CC2CC3=C(C2=O)C=C(C=C3)C","HJGINFZMIWBFAQ-UHFFFAOYSA-N",385695,NA,"PDBC39432","677041","Present",NA,NA
+"39433","Methyl 4-methyl-2-(3-methylbenzyl)-1-oxo-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-(3-methylbenzyl)-1-oxo-2-indanecarboxylate",NA,"CC1=CC(=CC=C1)CC2(CC3=C(C=CC=C3C2=O)C)C(=O)OC","HJGFYQXOEBLVQM-UHFFFAOYSA-N",385673,NA,"PDBC39433","677019","Present",NA,NA
+"39434","Methyl 4-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-(4-methylbenzyl)-1-oxo-2-indanecarboxylate",NA,"CC1=CC=C(C=C1)CC2(CC3=C(C=CC=C3C2=O)C)C(=O)OC","ARTIHSBJXAJKOT-UHFFFAOYSA-N",385671,NA,"PDBC39434","677017","Present",NA,NA
+"39435","Methyl 4-methyl-2-[(7-methyl-1-oxo-indan-2-yl)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-[(7-methyl-1-oxo-indan-2-yl)methyl]benzoate",NA,"CC1=CC(=C(C=C1)C(=O)OC)CC2CC3=CC=CC(=C3C2=O)C","DVUKZJNVUYOLOY-UHFFFAOYSA-N",385697,NA,"PDBC39435","677043","Present",NA,NA
+"39436","Methyl 4-methyl-2-[(E)-(6-methyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-[(E)-(6-methyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,"CC1=CC(=C(C=C1)C(=O)OC)C=C2CC3=C(C2=O)C=C(C=C3)C","MJNRKSHLQOHWHA-LFIBNONCSA-N",5912533,NA,"PDBC39436","678378","Present",NA,NA
+"39437","Methyl 4-methyl-2-[[3-methyl-2-[[2-[[2-methyl-2-[[4-methyl-2-[[2-[[2-[[2-methyl-2-[[4-methyl-2-[[2-[[2-methyl-2-(octanoylamino)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]pentanoyl]amino]pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-[[3-methyl-2-[[2-[[2-methyl-2-[[4-methyl-2-[[2-[[2-[[2-methyl-2-[[4-methyl-2-[[2-[[2-methyl-2-(octanoylamino)propanoyl]amino]-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]pentanoyl]am",NA,"CCCCCCCC(=O)NC(C)(C)C(=O)NC(COC(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(COC(C)(C)C)C(=O)NC(COC(C)(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(COC(C)(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)OC","RFNPENFVYHIDSS-UHFFFAOYSA-N",402879,NA,"PDBC39437","717181","Present",NA,NA
+"39438","Methyl 4-methyl-2-oxocyclohexane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-2-oxocyclohexanecarboxylic acid methyl ester",NA,"CC1CCC(C(=O)C1)C(=O)OC","HJVVHNOHVUFRKU-UHFFFAOYSA-N",359301,NA,"PDBC39438","620049","Present",NA,NA
+"39439","Methyl 4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-oxo-2-(3,4,5-trimethoxyphenyl)-4H-chromene-3-carboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)C(=O)OC","RUJGLXSZNDOIME-UHFFFAOYSA-N",372421,NA,"PDBC39439","647470","Present",NA,NA
+"39440","Methyl 4-oxo-3-(phenylthio)cyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-oxo-3-(phenylthio)cyclohexanecarboxylate",NA,"COC(=O)C1CCC(=O)C(C1)SC2=CC=CC=C2","BMCGYPHJLBAOLQ-UHFFFAOYSA-N",364920,NA,"PDBC39440","631807","Present",NA,NA
+"39441","Methyl 4-oxo-3-(trifluoromethylsulfonyloxy)-6,7,8,9-tetrahydroquinolizine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-oxo-3-(trifluoromethylsulfonyloxy)-6,7,8,9-tetrahydroquinolizine-1-carboxylate",NA,"COC(=O)C1=C2CCCCN2C(=O)C(=C1)OS(=O)(=O)C(F)(F)F","TWCDXKKBEKUMFU-UHFFFAOYSA-N",394441,NA,"PDBC39441","697917","Present",NA,NA
+"39442","Methyl 4-oxo-3a-phenyl-2,3,3a,4-tetrahydroisoxazolo[2,3-a]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-oxo-3a-phenyl-2,3,3a,4-tetrahydroisoxazolo[2,3-a]indole-2-carboxylate",NA,"COC(=O)C1CC2(C(=O)C3=CC=CC=C3N2O1)C4=CC=CC=C4","GFQYNECCRXYLTN-UHFFFAOYSA-N",374521,NA,"PDBC39442","652272","Present",NA,NA
+"39443","Methyl 4-oxo-4-(2,2'-spirobi[indane]-5'-yl)butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-oxo-4-(2,2'-spirobi[1,3-dihydroindene]-5-yl)butanoate",NA,"COC(=O)CCC(=O)C1=CC2=C(CC3(C2)CC4=CC=CC=C4C3)C=C1","YBVFROAFJDNDDP-UHFFFAOYSA-N",382741,NA,"PDBC39443","670419","Present",NA,NA
+"39444","Methyl 4-oxo-4-[3-(trifluoromethyl)anilino]butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK439738",NA,"COC(=O)CCC(=O)NC1=CC=CC(=C1)C(F)(F)F","VXFSECSCKBYNJV-UHFFFAOYSA-N",366521,NA,"PDBC39444","635130","Present",NA,NA
+"39445","Methyl 4-oxo-5-(1-oxohexahydro-1H-pyrrolizin-3-yl)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-oxo-5-(1-oxohexahydro-1H-pyrrolizin-3-yl)pentanoate",NA,"COC(=O)CCC(=O)CC1CC(=O)C2N1CCC2","IZNMOJCCYVRCIZ-UHFFFAOYSA-N",361482,NA,"PDBC39445","624519","Present",NA,NA
+"39446","Methyl 4-oxo-5H-furo[2,3-b][1,5]benzothiazepine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-oxo-5H-furo[2,3-b][1,5]benzothiazepine-2-carboxylate",NA,"COC(=O)C1=CC2=C(O1)SC3=CC=CC=C3NC2=O","VHQVBVAKNHBELC-UHFFFAOYSA-N",390887,NA,"PDBC39446","688998","Present",NA,NA
+"39447","Methyl 4a-acetyloxy-5-benzyl-2,6,11-trioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4a-acetyloxy-5-benzyl-2,6,11-trioxobenzo[b]carbazole-1-carboxylate",NA,"CC(=O)OC12C=CC(=O)C(=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)C(=O)OC","FBWOAFHQKYREPM-UHFFFAOYSA-N",24203339,NA,"PDBC39447","727572","Present",NA,NA
+"39448","Methyl 5,10,11-trimethylpyrido[3,4-b]carbazole-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5,10,11-trimethyl-10H-pyrido[3,4-b]carbazole-7-ca...",NA,"CC1=C2C=CN=CC2=C(C3=C1C4=C(N3C)C=CC(=C4)C(=O)OC)C","RFXVBBMZXZDZQA-UHFFFAOYSA-N",155816802,NA,"PDBC39448","790102","Present",NA,NA
+"39449","Methyl 5,11-dimethyl-1,5a,6,10b-tetrahydropyrido[4,3-b]carbazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5,11-dimethyl-1,5a,6,10b-tetrahydro-2H-pyrido[4,3-b]carbazole-2-carboxylate",NA,"CC1=C2CN(C=CC2=C(C3C1C4=CC=CC=C4N3)C)C(=O)OC","FWRYTVSLYZDBJX-UHFFFAOYSA-N",370277,NA,"PDBC39449","643123","Present",NA,NA
+"39450","Methyl 5,6-bis(phenylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5,6-bis(phenylsulfonyl)bicyclo[2.2.1]hept-2-ene-2-carboxylate",NA,"COC(=O)C1=CC2CC1C(C2S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","HFPFDNPWRBBKBQ-UHFFFAOYSA-N",372432,NA,"PDBC39450","647546","Present",NA,NA
+"39451","Methyl 5,6-dihydroxynaphthalene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5,6-dihydroxynaphthalene-2-carboxylate",NA,"COC(=O)C1=CC2=C(C=C1)C(=C(C=C2)O)O","OHWJXNLECYLABW-UHFFFAOYSA-N",383146,NA,"PDBC39451","671187","Present",NA,NA
+"39452","Methyl 5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5,8-dimethoxy-1-oxo-1,2,3,4-tetrahydro-2-naphthalenecarboxylate",NA,"COC1=C2CCC(C(=O)C2=C(C=C1)OC)C(=O)OC","HFQHUHXPGVUQIB-UHFFFAOYSA-N",361676,NA,"PDBC39452","624894","Present",NA,NA
+"39453","Methyl 5-(((2-(1H-indol-3-yl)ethyl)amino)methyl)-3-isoxazolecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(((2-(1H-indol-3-yl)ethyl)amino)methyl)-3-isoxazolecarboxylate",NA,"COC(=O)C1=NOC(=C1)CNCCC2=CNC3=CC=CC=C32","UEUUQAZCLMAQOG-UHFFFAOYSA-N",372104,NA,"PDBC39453","646978","Present",NA,NA
+"39454","Methyl 5-((2-ethoxy-2-oxoethyl)thio)-4-methoxy-2-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-((2-ethoxy-2-oxoethyl)thio)-4-methoxy-2-pyrrolidinecarboxylate",NA,"CCOC(=O)CSC1C(CC(N1)C(=O)OC)OC","IBWZRQAAHKXHOY-UHFFFAOYSA-N",392794,NA,"PDBC39454","693715","Present",NA,NA
+"39455","Methyl 5-((4-(methylamino)-4-oxobutyl)amino)-5-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-((4-(methylamino)-4-oxobutyl)amino)-5-oxopentanoate",NA,"CNC(=O)CCCNC(=O)CCCC(=O)OC","VHTARZGUYLLZEY-UHFFFAOYSA-N",391822,NA,"PDBC39455","691409","Present",NA,NA
+"39456","Methyl 5-((methylsulfonyl)amino)-5-oxo-2-pentenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-((methylsulfonyl)amino)-5-oxo-2-pentenoate",NA,"COC(=O)C=CCC(=O)NS(=O)(=O)C","UDIATDIWUPAQKD-HWKANZROSA-N",5468066,NA,"PDBC39456","663594","Present",NA,NA
+"39457","Methyl 5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=C(O2)C3=CC4=C(C=C3)OCO4)C(=O)OC","HGFZONBJGTZYLO-UHFFFAOYSA-N",359011,NA,"PDBC39457","619223","Present",NA,NA
+"39458","Methyl 5-(1,3-benzothiazol-2-yl)-6-phenyl-2-thioxo-1,2,5,6-tetrahydro-4-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(1,3-benzothiazol-2-yl)-6-phenyl-2-thioxo-5,6-dihydro-1H-pyrimidine-4-carboxylate",NA,"COC(=O)C1=NC(=S)NC(C1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4","ZBRZDYNVWPWRBQ-UHFFFAOYSA-N",3004027,NA,"PDBC39458","623061","Present",NA,NA
+"39459","Methyl 5-(1,3-benzoxazol-2-yl)-6-phenyl-2-thioxo-5,6-dihydro-1H-pyrimidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(1,3-benzoxazol-2-yl)-6-phenyl-2-thioxo-5,6-dihydro-1H-pyrimidine-4-carboxylate",NA,"COC(=O)C1=NC(=S)NC(C1C2=NC3=CC=CC=C3O2)C4=CC=CC=C4","WMFBCIFZINVGQR-UHFFFAOYSA-N",3004185,NA,"PDBC39459","635427","Present",NA,NA
+"39460","Methyl 5-(2,4-bis(hydroxy(oxido)amino)anilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2,4-dinitroanilino)-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","BKLSNOIYJPLZDR-UHFFFAOYSA-N",371549,NA,"PDBC39460","645878","Present",NA,NA
+"39461","Methyl 5-(2,4-bis(hydroxy(oxido)amino)anilino)-3-(6-chloro-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-(6-chloro-3-hydroxy-quinoxalin-2-yl)-5-(2,4-dinitroanilino)-2,4,5-trioxo-pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","OEAPCVFZOARRLB-UHFFFAOYSA-N",373346,NA,"PDBC39461","649562","Present",NA,NA
+"39462","Methyl 5-(2,4-dimethylanilino)-3,4-dihydro-2H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[(2,4-dimethylphenyl)amino]-3,4-dihydro-2H-pyrrole-2-carboxylate",NA,"CC1=CC(=C(C=C1)NC2=NC(CC2)C(=O)OC)C","CMJUHLOCVVHLCK-UHFFFAOYSA-N",367280,NA,"PDBC39462","636830","Present",NA,NA
+"39463","Methyl 5-(2,4-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2,4-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=O)C(=O)OC)C","KDZVLAIHJHIPTG-UHFFFAOYSA-N",369854,NA,"PDBC39463","642051","Present",NA,NA
+"39464","Methyl 5-(2,5-dichloroanilino)-2-hydrazono-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4,5-dioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-5-(2,5-dichloroanilino)-2-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4,5-dioxopentanoate",NA,"COC(=O)C(=NN)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl","OBYALTOTXPFLHX-YUMHPJSZSA-N",5900399,NA,"PDBC39464","648659","Present",NA,NA
+"39465","Methyl 5-(2,5-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2,5-dimethylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=O)C(=O)OC","DDSUQCVZFVLSPP-UHFFFAOYSA-N",372877,NA,"PDBC39465","648589","Present",NA,NA
+"39466","Methyl 5-(2-(aminocarbonyl)anilino)-2-((hydrazinocarbothioyl)hydrazono)-3-(3-hydroxy-2-quinoxalinyl)-4,5-dioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-(aminocarbamothioylhydrazinylidene)-5-(2-carbamoylanilino)-4,5-dioxo-3-(3-oxo-4H-quinoxalin-2-yl)pentanoate",NA,"COC(=O)C(=NNC(=S)NN)C(C1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=CC=CC=C3C(=O)N","RNSGQCPEQHJPSA-MWLSYYOVSA-N",6078915,NA,"PDBC39466","642043","Present",NA,NA
+"39467","Methyl 5-(2-(aminocarbonyl)anilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2-carbamoylanilino)-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=CC=C3C(=O)N","QCGOBUIZJGXCQS-UHFFFAOYSA-N",370945,NA,"PDBC39467","644750","Present",NA,NA
+"39468","Methyl 5-(2-(aminocarbonyl)anilino)-3-(6-chloro-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2-(aminocarbonyl)anilino)-3-(6-chloro-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(=O)C(=O)NC3=CC=CC=C3C(=O)N","QFZLDHOFHVROFY-UHFFFAOYSA-N",373342,NA,"PDBC39468","649558","Present",NA,NA
+"39469","Methyl 5-(2-(aminocarbonyl)anilino)-4-hydrazono-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,5-dioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (4Z)-5-(2-carbamoylanilino)-4-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2,5-dioxopentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=NN)C(=O)NC3=CC=CC=C3C(=O)N","MNQWXMRVTCNVEM-YUMHPJSZSA-N",9571296,NA,"PDBC39469","641445","Present",NA,NA
+"39470","Methyl 5-(2-(benzyloxy)-2-oxoethyl)-8-methyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl 4-[[1-[(2-methoxy-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate",NA,"CC(C(=O)NCC(=O)OC)NC(=O)C(CC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","XJMLMXPCLBDFIQ-UHFFFAOYSA-N",381433,NA,"PDBC39470","668021","Present",NA,NA
+"39471","Methyl 5-(2-acetylanilino)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2-acetylanilino)-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,"CC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=O)C(=O)OC","PAGWXNAUMPSWID-UHFFFAOYSA-N",372893,NA,"PDBC39471","648605","Present",NA,NA
+"39472","Methyl 5-(2-cyano-4-(hydroxy(oxido)amino)anilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2-cyano-4-nitrophenylamino)-3-(3-hydroxy-6-nitroquinoxalin-2-yl)-2,4,5-trioxopentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N","ZHGRBNLMLOCOOQ-UHFFFAOYSA-N",370940,NA,"PDBC39472","644745","Present",NA,NA
+"39473","Methyl 5-(2-cyano-5-(hydroxy(oxido)amino)anilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2-cyano-5-nitro-anilino)-3-(3-hydroxyquinoxalin-2-yl)-2,4,5-trioxo-pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=CC=CC=C2NC1=O)C(=O)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C#N","OYEVJXYVCCCANN-UHFFFAOYSA-N",372004,NA,"PDBC39473","646820","Present",NA,NA
+"39474","Methyl 5-(2-ethoxyanilino)-2-hydrazono-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4,5-dioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-5-(2-ethoxyanilino)-2-hydrazinylidene-3-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4,5-dioxopentanoate",NA,"CCOC1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=NN)C(=O)OC","ZNRYJDLKGZESAJ-IMRQLAEWSA-N",9571368,NA,"PDBC39474","648663","Present",NA,NA
+"39475","Methyl 5-(2-ethyl-6-isopropylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2-ethyl-6-isopropylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=O)C(=O)OC","QGURYSGOPFGJIB-UHFFFAOYSA-N",370938,NA,"PDBC39475","644743","Present",NA,NA
+"39476","Methyl 5-(3,3-dimethyl-2-thiiranyl)-3-methyl-2-pentenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(3,3-dimethyl-2-thiiranyl)-3-methyl-2-pentenoate",NA,"CC(=CC(=O)OC)CCC1C(S1)(C)C","KHXRTZFWNFCGFH-BQYQJAHWSA-N",5467354,NA,"PDBC39476","651006","Present",NA,NA
+"39477","Methyl 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(3,4-dimethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuran-4-carboxylate",NA,"COC1=C(C=C(C=C1)C2=C(CC(O2)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)OC)OC","IOJSNOUDRWKDLT-UHFFFAOYSA-N",360156,NA,"PDBC39477","622089","Present",NA,NA
+"39478","Methyl 5-(3,4-dimethylanilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(3,4-dimethylanilino)-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)C(=O)OC)C","DOQZXRRGTLVIJP-UHFFFAOYSA-N",372883,NA,"PDBC39478","648595","Present",NA,NA
+"39479","Methyl 5-(3-acetylanilino)-3-(3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-5-(3-acetylphenylamino)-3-(3-hydroxyquinoxalin-2-...",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2=NC3=CC=CC=C3NC2=O)C(=O)C(=O)OC","OPBBPMAXYCHXOE-UHFFFAOYSA-N",372007,NA,"PDBC39479","646823","Present",NA,NA
+"39480","Methyl 5-(3-acetylanilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(3-acetylanilino)-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)C(=O)OC","INMFLCGAKDUASY-UHFFFAOYSA-N",370965,NA,"PDBC39480","644770","Present",NA,NA
+"39481","Methyl 5-(3-methoxycarbonylbut-3-enoylamino)furan-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(3-methoxycarbonylbut-3-enoylamino)furan-2-carboxylate",NA,"COC(=O)C1=CC=C(O1)NC(=O)CC(=C)C(=O)OC","KSEUQGXXYVDGIV-UHFFFAOYSA-N",394465,NA,"PDBC39481","697938","Present",NA,NA
+"39482","Methyl 5-(4-chlorophenyl)-2-hydrazino-6-hydroxy-3,6-dihydro-4-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(4-chlorophenyl)-2-hydrazino-6-hydroxy-3,6-dihydro-4-pyrimidinecarboxylate",NA,"COC(=O)C1=C(C(N=C(N1)NN)O)C2=CC=C(C=C2)Cl","DEXQDWRREHEBJG-UHFFFAOYSA-N",366186,NA,"PDBC39482","634513","Present",NA,NA
+"39483","Methyl 5-(4-ethynyl-1,3,5-trimethyl-1H-pyrrol-2-yl)-3-methyl-2,4-pentadienoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(4-ethynyl-1,3,5-trimethyl-1H-pyrrol-2-yl)-3-methyl-2,4-pentadienoate",NA,"CC1=C(N(C(=C1C#C)C)C)C=CC(=CC(=O)OC)C","YGVJESTZPPQQAN-OCBXPSTGSA-N",5388765,NA,"PDBC39483","638470","Present",NA,NA
+"39484","Methyl 5-(4-fluoroanilino)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(4-fluoroanilino)-3-(3-hydroxy-6-nitro-quinoxalin-2-yl)-2,4,5-trioxo-pentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)C(=O)NC3=CC=C(C=C3)F","RNUUGRCQOHHHEN-UHFFFAOYSA-N",371555,NA,"PDBC39484","645884","Present",NA,NA
+"39485","Methyl 5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxylate",NA,"COC1=CC=C(C=C1)C2=CN=C3C(=C2)C=C(N3)C(=O)OC","HXTQDQCKEPFMPB-UHFFFAOYSA-N",54613075,NA,"PDBC39485","750395","Present",NA,NA
+"39486","Methyl 5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(9H-fluoren-9-ylimino)pyrrolidine-2-carboxylate;hydrochloride",NA,"COC(=O)C1CCC(=NC2C3=CC=CC=C3C4=CC=CC=C24)N1.Cl","WTOZSZRIBMEPAL-UHFFFAOYSA-N",135503979,NA,"PDBC39486","636832","Present",NA,NA
+"39487","Methyl 5-(acetyloxy)-2-methyl-1-benzofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_002688",NA,"CC1=C(C2=C(O1)C=CC(=C2)OC(=O)C)C(=O)OC","BMIWFWKYKIOEIH-UHFFFAOYSA-N",360975,NA,"PDBC39487","623706","Present",NA,NA
+"39488","Methyl 5-(carbamoylhydrazinylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(carbamoylhydrazinylidene)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylate",NA,"COC(=O)C1CC2CC(=NNC(=O)N)CC2C1","TVEGTLURDKVUIX-UHFFFAOYSA-N",359290,NA,"PDBC39488","620034","Present",NA,NA
+"39489","Methyl 5-(diethylamino)-4-methyl-1-phenylpyrazole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(diethylamino)-4-methyl-1-phenylpyrazole-3-carboxylate",NA,"CCN(CC)C1=C(C(=NN1C2=CC=CC=C2)C(=O)OC)C","YQVCNCQBSBSMPY-UHFFFAOYSA-N",358195,NA,"PDBC39489","618072","Present",NA,NA
+"39490","Methyl 5-(hydroxyamino)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(hydroxyamino)-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate",NA,"CC1=C(C(=C(C(=N1)C)NO)C2=CC=CC=C2C(F)(F)F)C(=O)OC","WLHISASHDPFJLT-UHFFFAOYSA-N",382124,NA,"PDBC39490","669517","Present",NA,NA
+"39491","Methyl 5-(methylamino)-2,2-diphenyl-2H,4H-1,3-dithiine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methylamino-2,2-diphenyl-6H-[1,3]dithiine-4-carboxylic...",NA,"CNC1=C(SC(SC1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC","WUJITHYLOUDZIM-UHFFFAOYSA-N",15161940,NA,"PDBC39491","733717","Present",NA,NA
+"39492","Methyl 5-[(1Z)-2-(2,5-dimethoxyphenyl)vinyl]-2-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[(1Z)-2-(2,5-dimethoxyphenyl)vinyl]-2- methoxyb...",NA,"COC1=CC(=C(C=C1)OC)C=CC2=CC(=C(C=C2)OC)C(=O)OC","OMGCUEKECQBFBC-ALCCZGGFSA-N",5472439,NA,"PDBC39492","718725","Present",NA,NA
+"39493","Methyl 5-[(2,4-dichlorophenyl)methyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2,4-dichlorobenzyl)-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5C3=O)O","UVPWTMNAJSBHIE-UHFFFAOYSA-N",404186,NA,"PDBC39493","720337","Present",NA,NA
+"39494","Methyl 5-[(2,4-dichlorophenyl)methyl]-2-hydroxy-6-oxo-11H-benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2,4-dichlorobenzyl)-2-hydroxy-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=C(C=C(C=C4)Cl)Cl)C(=O)C5=CC=CC=C5C3)O","FMQAWNYLZKPVBX-UHFFFAOYSA-N",403871,NA,"PDBC39494","719404","Present",NA,NA
+"39495","Methyl 5-[(2,4-dinitrophenyl)sulfinylmethyl]-2-methyl-3-phenyl-3H-isoxazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[(2,4-dinitrophenyl)sulfinylmethyl]-2-methyl-3-phenyl-3H-isoxazole-4-carboxylate",NA,"CN1C(C(=C(O1)CS(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)OC)C3=CC=CC=C3","FPJKDKRFARAODR-UHFFFAOYSA-N",361735,NA,"PDBC39495","624977","Present",NA,NA
+"39496","Methyl 5-[(2-chlorophenyl)methyl]-2,6-dihydroxybenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2-chlorobenzyl)-2,6-dihydroxy-5h-benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=CC4=CC=CC=C4C(=C3N2CC5=CC=CC=C5Cl)O)O","YGETYTHHJBEZML-UHFFFAOYSA-N",404482,NA,"PDBC39496","720718","Present",NA,NA
+"39497","Methyl 5-[(2-chlorophenyl)methyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(2-chlorobenzyl)-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4Cl)C(=O)C5=CC=CC=C5C3=O)O","QBEJZMUIKAXLBG-UHFFFAOYSA-N",404484,NA,"PDBC39497","720720","Present",NA,NA
+"39498","Methyl 5-[(3,5-dimethoxyphenyl)methyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC1=CC(=CC(=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC)OC","FTSDCFBSUWGTNX-UHFFFAOYSA-N",404189,NA,"PDBC39498","720340","Present",NA,NA
+"39499","Methyl 5-[(3,5-dimethoxyphenyl)methyl]-2-hydroxy-6-oxo-11H-benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC1=CC(=CC(=C1)CN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4)C(=C(C=C3)O)C(=O)OC)OC","UIERGVBQHJZMJP-UHFFFAOYSA-N",403874,NA,"PDBC39499","719407","Present",NA,NA
+"39500","Methyl 5-[(3,5-dimethoxyphenyl)methyl]-2-hydroxybenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-(3,5-dimethoxybenzyl)-2-hydroxy-5h-benzo[b]carbazole-1-carboxylate",NA,"COC1=CC(=CC(=C1)CN2C3=C(C4=CC5=CC=CC=C5C=C42)C(=C(C=C3)O)C(=O)OC)OC","DTJLKJQQQMUUPY-UHFFFAOYSA-N",404480,NA,"PDBC39500","720716","Present",NA,NA
+"39501","Methyl 5-[(6-bromo-1,3-benzodioxole-5-carbonyl)amino]furan-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[(6-bromo1,3-benzodioxole-5-carbonyl)amino]furan-2-carboxylate",NA,"COC(=O)C1=CC=C(O1)NC(=O)C2=CC3=C(C=C2Br)OCO3","PVOJIKDBPUNREY-UHFFFAOYSA-N",397466,NA,"PDBC39501","705324","Present",NA,NA
+"39502","Methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[(E)-2-(4-acetamidophenyl)sulfonyl-2-(5-nitrofuran-2-yl)ethenyl]furan-2-carboxylate",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(O2)C(=O)OC)C3=CC=C(O3)[N+](=O)[O-]","JWZVKXBMKRDFNU-WOJGMQOQSA-N",5358937,NA,"PDBC39502","291056","Present",NA,NA
+"39503","Methyl 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[2-(2,5-dimethoxyphenyl)ethynyl]-2-methoxybenzoate",NA,"COC1=CC(=C(C=C1)OC)C#CC2=CC(=C(C=C2)OC)C(=O)OC","JKDPIWZNGRWUFU-UHFFFAOYSA-N",403337,NA,"PDBC39503","718126","Present",NA,NA
+"39504","Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dihydroxybenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2,6-dihydroxy-5h-benzo[b]carbazole-1-carboxylate",NA,"COC1=C(C=C(C=C1)CCN2C3=C(C4=CC5=CC=CC=C5C(=C42)O)C(=C(C=C3)O)C(=O)OC)OC","FIUVOTYEZXEQOO-UHFFFAOYSA-N",404483,NA,"PDBC39504","720719","Present",NA,NA
+"39505","Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,"COC1=C(C=C(C=C1)CCN2C3=C(C4=C2C(=O)C5=CC=CC=C5C4=O)C(=C(C=C3)O)C(=O)OC)OC","YNXPMAAZIUXWQM-UHFFFAOYSA-N",404485,NA,"PDBC39505","720721","Present",NA,NA
+"39506","Methyl 5-[3-(trifluoromethyl)anilino]-3,4-dihydro-2H-pyrrole-2-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[3-(trifluoromethyl)anilino]-3,4-dihydro-2H-pyrrole-2-carboxylate;hydrochloride",NA,"COC(=O)C1CCC(=N1)NC2=CC=CC(=C2)C(F)(F)F.Cl","WOZHFRPSKJHPDU-UHFFFAOYSA-N",367284,NA,"PDBC39506","636833","Present",NA,NA
+"39507","Methyl 5-[4-(4-chlorophenyl)-1,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[4-(4-chlorophenyl)-1,5-dihydro-1,3,4-benzotriazepin-2-yl]-5-oxo-pentanoate",NA,"COC(=O)CCCC(=O)C1=NC2=CC=CC=C2CN(N1)C3=CC=C(C=C3)Cl","FXXRJHCLWCDREF-UHFFFAOYSA-N",389742,NA,"PDBC39507","686338","Present",NA,NA
+"39508","Methyl 5-[[1-(hydroxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]furan-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[[1-(hydroxymethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]furan-2-carboxylate",NA,"COC(=O)C1=CC=C(O1)CN2CCC3=C(C2CO)NC4=CC=CC=C34","BPRMFUNATBDYTC-UHFFFAOYSA-N",372326,NA,"PDBC39508","647384","Present",NA,NA
+"39509","Methyl 5-[[2-[(2-benzyloxy-2-oxo-ethyl)amino]-1-[(4-nitrophenyl)methyl]-2-oxo-ethyl]amino]-4-(tert-butoxycarbonylamino)-5-oxo-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[[3-(4-nitrophenyl)-1-oxo-1-[(2-oxo-2-phenylmethoxyethyl)amino]propan-2-yl]amino]-5-oxopentanoate",NA,"CC(C)(C)OC(=O)NC(CCC(=O)OC)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)OCC2=CC=CC=C2","GLHSOHZTHPPDNF-UHFFFAOYSA-N",382247,NA,"PDBC39509","669702","Present",NA,NA
+"39510","Methyl 5-[[2-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[[2-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate",NA,"COC(=O)C1=C(SC(=S)S1)SCC2=CC=CC=C2CSC3=C(SC(=S)S3)C(=O)OC","GQSMEVFACAKNHA-UHFFFAOYSA-N",397747,NA,"PDBC39510","706170","Present",NA,NA
+"39511","Methyl 5-[[3-[(5-methoxycarbonyl-2-oxo-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-oxo-1,3-dithiole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 5-[[3-[(5-methoxycarbonyl-2-oxo-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-oxo-1,3-dithiole-4-carboxylate",NA,"COC(=O)C1=C(SC(=O)S1)SCC2=CC(=CC=C2)CSC3=C(SC(=O)S3)C(=O)OC","WYBJNLORMOIESK-UHFFFAOYSA-N",397744,NA,"PDBC39511","706167","Present",NA,NA
+"39512","Methyl 5-[[3-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[[3-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate",NA,"COC(=O)C1=C(SC(=S)S1)SCC2=CC(=CC=C2)CSC3=C(SC(=S)S3)C(=O)OC","TVMJMZHKMNNZGE-UHFFFAOYSA-N",397191,NA,"PDBC39512","704598","Present",NA,NA
+"39513","Methyl 5-[[4-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[[4-[(5-methoxycarbonyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanylmethyl]phenyl]methylsulfanyl]-2-sulfanylidene-1,3-dithiole-4-carboxylate",NA,"COC(=O)C1=C(SC(=S)S1)SCC2=CC=C(C=C2)CSC3=C(SC(=S)S3)C(=O)OC","VDQLKVNJKZDVQK-UHFFFAOYSA-N",397748,NA,"PDBC39513","706171","Present",NA,NA
+"39514","Methyl 5-[benzoyl(pent-4-enyl)amino]furan-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-[benzoyl(pent-4-enyl)amino]furan-2-carboxylate",NA,"COC(=O)C1=CC=C(O1)N(CCCC=C)C(=O)C2=CC=CC=C2","VJVDSEIHGKGTMH-UHFFFAOYSA-N",394464,NA,"PDBC39514","697937","Present",NA,NA
+"39515","Methyl 5-acetamido-1,3,4-thiadiazol-2-yl sulfone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL214719",NA,"CC(=O)NC1=NN=C(S1)S(=O)(=O)C","CNOKSWHGWDXNSY-UHFFFAOYSA-N",375379,NA,"PDBC39515","655050","Present",NA,NA
+"39516","Methyl 5-acetamido-4-acetyloxy-2-heptan-2-ylsulfanyl-6-[(1S,2R)-1,2,3-triacetyloxypropyl]oxane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-acetamido-4,7,8,9-O-acetyl-3,5-dideoxy-2-S-(2'-...",NA,"CCCCCC(C)SC1(CC(C(C(O1)C(C(COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)C)OC(=O)C)C(=O)OC","CGQAGIOIJDHBLL-XJLIWUQFSA-N",386382,NA,"PDBC39516","678353","Present",NA,NA
+"39517","Methyl 5-acetyl-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-acetyl-4-methoxy-3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate",NA,"CC(=O)C1=C2C(=C3C=C(NC3=C1OC)C(=O)OC)CCN2","IWMZTFGBRABPGX-UHFFFAOYSA-N",393072,NA,"PDBC39517","694457","Present",NA,NA
+"39518","Methyl 5-acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate",NA,"CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C(=C5CCCC5=C4)C(=O)OC)C=C1","ZIWLRBCUVCIAMM-UHFFFAOYSA-N",385716,NA,"PDBC39518","677062","Present",NA,NA
+"39519","Methyl 5-amino-1-benzyl-1H-imidazole-4-carboximidoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-amino-1-benzyl-1H-imidazole-4-carboximidoate",NA,"COC(=N)C1=C(N(C=N1)CC2=CC=CC=C2)N","UAOSKYXEJBTATJ-UHFFFAOYSA-N",382611,NA,"PDBC39519","670252","Present",NA,NA
+"39520","Methyl 5-amino-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-amino-3-(6-benzoyl-3-hydroxy-2-quinoxalinyl)-2,4,5-trioxopentanoate",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C(=O)N","XFWBWXDIZWVLPW-UHFFFAOYSA-N",372891,NA,"PDBC39520","648603","Present",NA,NA
+"39521","Methyl 5-benzyl-11-methylidene-2-[(4-nitrophenyl)methoxycarbonyloxy]-6-oxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-benzyl-11-methylidene-2-[(4-nitrophenyl)methoxycarbonyloxy]-6-oxobenzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=C)OC(=O)OCC6=CC=C(C=C6)[N+](=O)[O-]","XAXYFOYGFGDGJB-UHFFFAOYSA-N",11706969,NA,"PDBC39521","734758","Present",NA,NA
+"39522","Methyl 5-benzyl-2-hydroxy-11-methylidene-6-oxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-benzyl-2-hydroxy-11-methylidene-6-oxobenzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=C)O","SQBBMGPOPYNZMH-UHFFFAOYSA-N",404604,NA,"PDBC39522","720996","Present",NA,NA
+"39523","Methyl 5-benzyl-2-hydroxy-3-nitro-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-benzyl-2-hydroxy-3-nitro-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C2C(=CC(=C1O)[N+](=O)[O-])N(C3=C2C(=O)C4=CC=CC=C4C3=O)CC5=CC=CC=C5","AELFOOHSJHUYNI-UHFFFAOYSA-N",5472966,NA,"PDBC39523","722992","Present",NA,NA
+"39524","Methyl 5-benzyl-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-benzyl-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)O","WSJKAULYUSRFND-UHFFFAOYSA-N",404192,NA,"PDBC39524","720343","Present",NA,NA
+"39525","Methyl 5-benzyl-2-hydroxy-6-oxo-11H-benzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-benzyl-2-hydroxy-6-oxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"COC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3)O","PFHWETGRXRTEIN-UHFFFAOYSA-N",403876,NA,"PDBC39525","719409","Present",NA,NA
+"39526","Methyl 5-bromo-7-[2-(diethylamino)ethoxy]-6-methoxy-3-methyl-1-benzofuran-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Bromo-7-(O-ethyl-2?-diethylamino)-6-methoxy-benzofuran...",NA,"CCN(CC)CCOC1=C2C(=CC(=C1OC)Br)C(=C(O2)C(=O)OC)C","FGGRFLRQPQOIOL-UHFFFAOYSA-N",24204526,NA,"PDBC39526","732114","Present",NA,NA
+"39527","Methyl 5-chloro-2-[(4-nitrobenzoyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DWPHGNLALUNFLR-UHFFFAOYSA-N",NA,"COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","DWPHGNLALUNFLR-UHFFFAOYSA-N",362934,NA,"PDBC39527","627410","Present",NA,NA
+"39528","Methyl 5-chloro-N-cyclohexylcarbonyl anthranilate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AXWRMWRONKZXKX-UHFFFAOYSA-N",NA,"COC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C2CCCCC2","AXWRMWRONKZXKX-UHFFFAOYSA-N",362497,NA,"PDBC39528","626520","Present",NA,NA
+"39529","Methyl 5-chloropyrazine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 5-chloropyrazinoate",NA,"COC(=O)C1=CN=C(C=N1)Cl","CVVMLRFXZPKILB-UHFFFAOYSA-N",406081,NA,"PDBC39529","723999","Present",NA,NA
+"39530","Methyl 5-cyano-2-(5-methyl-2-thienyl)-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-cyano-2-(5-methylthiophen-2-yl)-1H-pyrrole-3-carboxylate",NA,"CC1=CC=C(S1)C2=C(C=C(N2)C#N)C(=O)OC","FJCXLOAHWRZFMY-UHFFFAOYSA-N",395469,NA,"PDBC39530","700032","Present",NA,NA
+"39531","Methyl 5-cyano-2-thiophen-2-yl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-cyano-2-thiophen-2-yl-1H-pyrrole-3-carboxylate",NA,"COC(=O)C1=C(NC(=C1)C#N)C2=CC=CS2","RZYSLHXDBGECMB-UHFFFAOYSA-N",395468,NA,"PDBC39531","700031","Present",NA,NA
+"39532","Methyl 5-cyano-2-thiophen-3-yl-1H-pyrrole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-cyano-2-thiophen-3-yl-1H-pyrrole-3-carboxylate",NA,"COC(=O)C1=C(NC(=C1)C#N)C2=CSC=C2","CLPJOEWVELWDFE-UHFFFAOYSA-N",388559,NA,"PDBC39532","683562","Present",NA,NA
+"39533","Methyl 5-cyano-5-(2,4-dichlorophenyl)-4-oxopentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-cyano-5-(2,4-dichlorophenyl)-4-oxopentanoate",NA,"COC(=O)CCC(=O)C(C#N)C1=C(C=C(C=C1)Cl)Cl","YNUZXEVWFRODRT-UHFFFAOYSA-N",358492,NA,"PDBC39533","618500","Present",NA,NA
+"39534","Methyl 5-diethoxyphosphoryloxy-4-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-diethoxyphosphoryloxy-4-methoxy-3,4,5,6-tetrahydropyrrolo[3,2-e]indole-2-carboxylate",NA,"CCOP(=O)(OCC)OC1C(C2=C(C=C(N2)C(=O)OC)C3=C1NC=C3)OC","DIKOMQSMOOPQHM-UHFFFAOYSA-N",386822,NA,"PDBC39534","679530","Present",NA,NA
+"39535","Methyl 5-ethyl-2,6-dihydroxybenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-ethyl-2,6-dihydroxy-5h-benzo[b]carbazole-1-carboxylate",NA,"CCN1C2=C(C3=CC4=CC=CC=C4C(=C31)O)C(=C(C=C2)O)C(=O)OC","GSMHSJBMLAJUCA-UHFFFAOYSA-N",404486,NA,"PDBC39535","720722","Present",NA,NA
+"39536","Methyl 5-ethyl-2-hydroxy-6,11-dioxobenzo[b]carbazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-ethyl-2-hydroxy-6,11-dioxo-6,11-dihydro-5h-benzo[b]carbazole-1-carboxylate",NA,"CCN1C2=C(C3=C1C(=O)C4=CC=CC=C4C3=O)C(=C(C=C2)O)C(=O)OC","FADTUYZHAZAKNY-UHFFFAOYSA-N",404191,NA,"PDBC39536","720342","Present",NA,NA
+"39537","Methyl 5-fluoro-4-hydroxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-fluoro-4-hydroxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate",NA,"COC(=O)C1(C(NC(=O)NC1=O)O)F","JUUPPQURHPYPOI-UHFFFAOYSA-N",353769,NA,"PDBC39537","602881","Present",NA,NA
+"39538","Methyl 5-fluoro-4-methoxy-2,6-dioxohexahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Pyrimidinecarboxylic acid, 5-fluorohexahydro-4-methoxy...",NA,"COC1C(C(=O)NC(=O)N1)(C(=O)OC)F","CMZYDQKKDNXWKW-UHFFFAOYSA-N",339703,NA,"PDBC39538","367428","Present",NA,NA
+"39539","Methyl 5-hexadecyl-6-hydroxy-2-mercapto-4-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-hexadecyl-6-hydroxy-2-mercapto-4-pyrimidinecarboxylate",NA,"CCCCCCCCCCCCCCCCC1=C(NC(=S)NC1=O)C(=O)OC","DXEKVIVVAIASET-UHFFFAOYSA-N",3004177,NA,"PDBC39539","635124","Present",NA,NA
+"39540","Methyl 5-hydroxy-2,2,8,8-tetramethyl-3,4,9,10-tetrahydropyrano[2,3-f]chromene-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzo[1,2-b:3,4-b']dipyran-6-carboxylic acid, 2,3,4,8,9,...",NA,"CC1(CCC2=C(C(=C3C(=C2O1)CCC(O3)(C)C)C(=O)OC)O)C","YCMSOWZRNXKKKJ-UHFFFAOYSA-N",353071,NA,"PDBC39540","600166","Present",NA,NA
+"39541","Methyl 5-hydroxy-2,3,8-trimethyl-4H-pyrrolo[2,3-f]quinoxaline-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2,3,8-trimethyl-5-oxo-4,5-dihydro-1h-pyrrolo[2,3-f]quinoxaline-7-carboxylate",NA,"CC1=C(N=C2C(=C(C=C3C2=NC(=C3C(=O)OC)C)O)N1)C","KEBJFNVUAZOMRY-UHFFFAOYSA-N",135426755,NA,"PDBC39541","716490","Present",NA,NA
+"39542","Methyl 5-hydroxy-2-[(4-hydroxybenzoyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Melandrin, methyl ester",NA,"COC(=O)C1=C(C=CC(=C1)O)NC(=O)C2=CC=C(C=C2)O","YOCYIKSBSKALFW-UHFFFAOYSA-N",368270,NA,"PDBC39542","638729","Present",NA,NA
+"39543","Methyl 5-hydroxy-5-methyl-5,6-dihydro-4H-1,3-thiazine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-hydroxy-5-methyl-5,6-dihydro-4H-1,3-thiazine-4-carboxylate",NA,"CC1(CSC=NC1C(=O)OC)O","LPNVXPBPWVQIMS-UHFFFAOYSA-N",368885,NA,"PDBC39543","640230","Present",NA,NA
+"39544","Methyl 5-methoxy-2-((2-((((4-methoxybenzyl)oxy)carbonyl)amino)-4-methylpentanoyl)amino)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-methoxy-2-((2-((((4-methoxybenzyl)oxy)carbonyl)amino)-4-methylpentanoyl)amino)pentanoate",NA,"CC(C)CC(C(=O)NC(CCCOC)C(=O)OC)NC(=O)OCC1=CC=C(C=C1)OC","USIBRDRSXILDCL-UHFFFAOYSA-N",382705,NA,"PDBC39544","670353","Present",NA,NA
+"39545","Methyl 5-methyl-2-[(E)-(4-methyl-3-oxo-1H-inden-2-ylidene)methyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-methyl-2-[(E)-(7-methyl-1-oxo-indan-2-ylidene)methyl]benzoate",NA,"CC1=CC(=C(C=C1)C=C2CC3=CC=CC(=C3C2=O)C)C(=O)OC","ZMKHKBRWKUUWPL-MHWRWJLKSA-N",6284987,NA,"PDBC39545","678362","Present",NA,NA
+"39546","Methyl 5-methyl-2-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-methyl-2-oxo-8-oxabicyclo[3.2.1]oct-6-ene-6-carboxylate",NA,"CC12CCC(=O)C(O1)C=C2C(=O)OC","HZBNKPWBFGUDFF-UHFFFAOYSA-N",361140,NA,"PDBC39546","623972","Present",NA,NA
+"39547","Methyl 5-methyl-7-phenyl-2,3,8,8a-tetrahydro-7H-[1,3]oxazolo[3,2-a]pyridine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-methyl-7-phenyl-2,3,8,8a-tetrahydro-7H-[1,3]oxazolo[3,2-a]pyridine-6-carboxylate",NA,"CC1=C(C(CC2N1CCO2)C3=CC=CC=C3)C(=O)OC","AOCZIBWTJRPJPB-UHFFFAOYSA-N",375830,NA,"PDBC39547","656078","Present",NA,NA
+"39548","Methyl 5-nitro-3,4-diphenylfuran-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CCRIS 2153",NA,"COC(=O)C1=C(C(=C(O1)[N+](=O)[O-])C2=CC=CC=C2)C3=CC=CC=C3","AJKRLFVGAWNBKP-UHFFFAOYSA-N",40231,NA,"PDBC39548","616361","Present",NA,NA
+"39549","Methyl 5-nitro-3-[(2S,3S,4R,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]imidazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-nitro-3-[(2S,3S,4R,5R)-3,4,5-triacetoxytetrahydropyran-2-yl]imidazole-4-carboxylate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C=NC(=C2C(=O)OC)[N+](=O)[O-]","OZUURPZOWPXHGE-PBOSXPJTSA-N",383946,NA,"PDBC39549","672910","Present",NA,NA
+"39550","Methyl 5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-oxidopyrazolo[5,1-c][1,2,4]benzotriazin-5-ium-3-carboxylate",NA,"COC(=O)C1=C2N=[N+](C3=CC=CC=C3N2N=C1)[O-]","ASGFAWZELWBIOH-UHFFFAOYSA-N",388425,NA,"PDBC39550","683333","Present",NA,NA
+"39551","Methyl 5-oxo-1-[phenyl-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-oxo-1-[phenyl-(3,4,5-trimethoxyphenyl)methyl]pyrrolidine-2-carboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)N3C(CCC3=O)C(=O)OC","UWZLSLHQRNSPOI-UHFFFAOYSA-N",384218,NA,"PDBC39551","673623","Present",NA,NA
+"39552","Methyl 5-oxo-2-phenylcyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-oxo-2-phenylcyclohexanecarboxylate",NA,"COC(=O)C1CC(=O)CCC1C2=CC=CC=C2","AXOQDYGCCCXXHG-UHFFFAOYSA-N",372277,NA,"PDBC39552","647335","Present",NA,NA
+"39553","Methyl 5-oxo-4,5-dihydro-3H-1,3,4-benzotriazepin-2-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-oxo-4,5-dihydro-3H-1,3,4-benzotriazepin-2-ylcarbamate",NA,"COC(=O)NC1=NC2=CC=CC=C2C(=O)NN1","ZQUNSLRRUXYQNE-UHFFFAOYSA-N",353471,NA,"PDBC39553","601851","Present",NA,NA
+"39554","Methyl 6,3-dimethoxy-5,11-dioxo-6-methyl-5H-indeno[1,2-c]isoquinoline-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6,11-dihydro-2,3-dimethoxy-5,11-dioxo-6-methyl-5H...",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=C2C=CC(=C4)C(=O)OC","AEAGQTLYHMAXBJ-UHFFFAOYSA-N",45027888,NA,"PDBC39554","734286","Present",NA,NA
+"39555","Methyl 6,7-diamino-9-(dicyanomethylene)-10,10a-dihydrobenzo[c]chromene-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6,7-diamino-9-(dicyanomethylene)-10,10a-dihydrobenzo[c]chromene-8-carboxylate",NA,"COC(=O)C1=C(C2=C(OC3=CC=CC=C3C2CC1=C(C#N)C#N)N)N","WCQUAMDDMHHNHT-UHFFFAOYSA-N",388286,NA,"PDBC39555","682927","Present",NA,NA
+"39556","Methyl 6,7-dichloro-3-methylquinoxaline-2-carboxylate 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6,7-dichloro-3-methylquinoxaline-2-carboxylate 1,4-dioxide",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OC","PHDMFBDFVVUYQS-UHFFFAOYSA-N",403947,NA,"PDBC39556","719713","Present",NA,NA
+"39557","Methyl 6,7-dihydroxynaphthalene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6,7-dihydroxynaphthalene-2-carboxylate",NA,"COC(=O)C1=CC2=CC(=C(C=C2C=C1)O)O","PBQFYUIDFAZICQ-UHFFFAOYSA-N",390996,NA,"PDBC39557","689402","Present",NA,NA
+"39558","Methyl 6,7-dimethyl-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepine-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6,7-dimethyl-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepine-9-carboxylate",NA,"CC1=CC(=C2C(=C1C)C(=O)NCC(=O)N2)C(=O)OC","JEVLPIHAPDZCGT-UHFFFAOYSA-N",360072,NA,"PDBC39558","621870","Present",NA,NA
+"39559","Methyl 6,9-dibenzyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6,9-dibenzyl-2,2-dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)OC","BUYTXNVXDQJVME-UHFFFAOYSA-N",382710,NA,"PDBC39559","670359","Present",NA,NA
+"39560","Methyl 6-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)-5-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-((1-oxo-1,2,3,5,6,7-hexahydro-s-indacen-2-yl)methyl)-5-indanecarboxylate",NA,"COC(=O)C1=C(C=C2CCCC2=C1)CC3CC4=C(C3=O)C=C5CCCC5=C4","OICBITAPYYBEOU-UHFFFAOYSA-N",382688,NA,"PDBC39560","670336","Present",NA,NA
+"39561","Methyl 6-((4-chlorophenyl)hydrazono)-6-(2,6-dichloroanilino)-5-oxohexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-((4-chlorophenyl)hydrazono)-6-(2,6-dichloroanilino)-5-oxohexanoate",NA,"COC(=O)CCCC(=O)C(=NC1=C(C=CC=C1Cl)Cl)NNC2=CC=C(C=C2)Cl","ZNGKMCKMPJSQCC-UHFFFAOYSA-N",389743,NA,"PDBC39561","686339","Present",NA,NA
+"39562","Methyl 6-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)-4-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)-4-indanecarboxylate",NA,"COC(=O)C1=CC(=CC2=C1CCC2)CC3CC4=C(C3)C=C5CCCC5=C4","OOFFAJAZVMTDLT-UHFFFAOYSA-N",382647,NA,"PDBC39562","670295","Present",NA,NA
+"39563","Methyl 6-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)-5-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-(1,2,3,5,6,7-hexahydro-s-indacen-2-ylmethyl)-5-indanecarboxylate",NA,"COC(=O)C1=C(C=C2CCCC2=C1)CC3CC4=C(C3)C=C5CCCC5=C4","MWZSNICWASNBDF-UHFFFAOYSA-N",382648,NA,"PDBC39563","670296","Present",NA,NA
+"39564","Methyl 6-(2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methoxy-3-oxopropyl)-5-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-(2-(2,3-dihydro-1H-inden-5-ylmethyl)-3-methoxy-3-oxopropyl)-5-indanecarboxylate",NA,"COC(=O)C1=C(C=C2CCCC2=C1)CC(CC3=CC4=C(CCC4)C=C3)C(=O)OC","LSAOYGIQVKPNRH-UHFFFAOYSA-N",385649,NA,"PDBC39564","676995","Present",NA,NA
+"39565","Methyl 6-(2-aminoethylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylate;sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-(2-aminoethylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylate;sulfuric acid",NA,"COC(=O)C1C(C(C(C(O1)SCCN)O)O)O.OS(=O)(=O)O","BCTFETWFPYZBBZ-UHFFFAOYSA-N",330639,NA,"PDBC39565","319758","Present",NA,NA
+"39566","Methyl 6-(3-azidopropyl)-3-nitro-5,11-dioxoindeno[1,2-c]isoquinoline-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Azidopropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro-...",NA,"COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","KSOXIPMQOVYYLL-UHFFFAOYSA-N",17756080,NA,"PDBC39566","740973","Present",NA,NA
+"39567","Methyl 6-(3-chloropropyl)-3-nitro-5,11-dioxoindeno[1,2-c]isoquinoline-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Chloropropyl)-5,6-dihydro-9-methoxycarbonyl-3-nitro...",NA,"COC(=O)C1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCCl","XVKYVWWGTBOVEM-UHFFFAOYSA-N",17755850,NA,"PDBC39567","740972","Present",NA,NA
+"39568","Methyl 6-(3-hydroxypropyl)-2-imino-4-undecyl-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine-5-carboxylic acid, 2-amino-4-hendecyl- 1,4-di...",NA,"CCCCCCCCCCCC1C(=C(NC(=N1)N)CCCO)C(=O)OC","BWFIOIDJTVTWPS-UHFFFAOYSA-N",380164,NA,"PDBC39568","665602","Present",NA,NA
+"39569","Methyl 6-(4,5-dichloro-3,6-dioxo-3,6-dihydro-1(2H)-pyridazinyl)-2,4-dioxohexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-(4,5-dichloro-3,6-dioxo-3,6-dihydro-1(2H)-pyridazinyl)-2,4-dioxohexanoate",NA,"COC(=O)C(=O)CC(=O)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl","JZSSNWDGKGQWFA-UHFFFAOYSA-N",365875,NA,"PDBC39569","633951","Present",NA,NA
+"39570","Methyl 6-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-2,4-dioxohexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-2,4-dioxohexanoate",NA,"COC(=O)C(=O)CC(=O)CCN1C(=O)C(=C(C=N1)Cl)Cl","RPYPTKBZFYTABK-UHFFFAOYSA-N",366145,NA,"PDBC39570","634472","Present",NA,NA
+"39571","Methyl 6-(4-methylphenyl)sulfonyloxyhexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NMQFMSZLRUPGFY-UHFFFAOYSA-N",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC(=O)OC","NMQFMSZLRUPGFY-UHFFFAOYSA-N",357797,NA,"PDBC39571","617325","Present",NA,NA
+"39572","Methyl 6-O-(((6,6,6-trifluoro-5-oxohexyl)amino)carbonyl)hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3,4,5-Trihydroxy-6-methoxyoxan-2-yl)methyl N-(6,6,6-trifluoro-5-oxohexyl)carbamate",NA,"COC1C(C(C(C(O1)COC(=O)NCCCCC(=O)C(F)(F)F)O)O)O","UWRUOUDFYSBITL-UHFFFAOYSA-N",381246,NA,"PDBC39572","667650","Present",NA,NA
+"39573","Methyl 6-[1-(benzenesulfonyl)indol-2-yl]-2-azabicyclo[2.2.2]oct-7-ene-6-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-[1-(benzenesulfonyl)indol-2-yl]-7-azabicyclo[2.2.2]oct-2-ene-6-carboxylate hydrochloride",NA,"COC(=O)C1(CC2CNC1C=C2)C3=CC4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5.Cl","XZIKACHAHHUEPS-UHFFFAOYSA-N",397005,NA,"PDBC39573","704242","Present",NA,NA
+"39574","Methyl 6-[2-(diethylamino)ethoxy]-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(O-ethyl-2?-diethylamino)-7-(p-methoxycinnamoyl)-3-met...",NA,"CCN(CC)CCOC1=C(C2=C(C=C1)C(=C(O2)C(=O)OC)C)C(=O)C=CC3=CC=C(C=C3)OC.Cl","YNUHRLKNTQNFBQ-KMZJGFRYSA-N",24204523,NA,"PDBC39574","732112","Present",NA,NA
+"39575","Methyl 6-[2-(dimethylamino)ethoxy]-7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-1-benzofuran-2-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(O-ethyl-2?-dimethylamino)-7-(p-methoxycinnamoyl)-3-me...",NA,"CC1=C(OC2=C1C=CC(=C2C(=O)C=CC3=CC=C(C=C3)OC)OCCN(C)C)C(=O)OC.Cl","NOOYCACGHOXHSY-MXZHIVQLSA-N",45028087,NA,"PDBC39575","741086","Present",NA,NA
+"39576","Methyl 6-[7-(aminosulfonyl)-6-chloro-1,1-dioxido-2H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl]-4,6-dioxohexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-(6-chloro-1,1-dioxo-7-sulfamoyl-2H-pyrido[3,2-e][1,2,4]thiadiazin-3-yl)-4,6-dioxo-hexanoate",NA,"COC(=O)CCC(=O)CC(=O)C1=NS(=O)(=O)C2=NC(=C(C=C2N1)Cl)S(=O)(=O)N","GZCSPJVTVQKGFV-UHFFFAOYSA-N",3004278,NA,"PDBC39576","642000","Present",NA,NA
+"39577","Methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8-hydroxy-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8-hydroxy-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2",NA,"CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(C(O6)C(=O)OC)O)O)O)C)C(=O)OC)C","OVXZVDSAOVBDKG-LKMZTRCISA-N",385538,NA,"PDBC39577","676796","Present",NA,NA
+"39578","Methyl 6-[[(3S,4aR,6aR,6bS,8R,8aR,12aS,14aR,14bR)-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-8-hydroxy-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676788///NSC676792",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O","CQOWKXHYGFCJHS-DFRVBFNPSA-N",385532,NA,"PDBC39578","676788///676792","Present",NA,NA
+"39579","Methyl 6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[3-[3,4-dihydroxy-6-methyl-5-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676781///NSC676783",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)O)O)O","WZKGWHSNAKTEGP-PMORDECOSA-N",385527,NA,"PDBC39579","676781///676783","Present",NA,NA
+"39580","Methyl 6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-[3-[5-[3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3-hydroxy-6-methyl-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676777///NSC676779",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)OC9C(C(C(CO9)O)O)O)O)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O","ZTRXMNCGKZORNF-VMZYMQEXSA-N",385525,NA,"PDBC39580","676777///676779","Present",NA,NA
+"39581","Methyl 6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-[[(3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-methoxycarbonyl-4,4,6a,6b,11,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylate",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC6C(C(C(C(O6)C(=O)OC)O)O)O)C)C)C2C1)C)C(=O)OC)C","HEBNQUYBPJDNGV-BRMIAQKVSA-N",385529,NA,"PDBC39581","676785","Present",NA,NA
+"39582","Methyl 6-[[2-(benzyloxycarbonylamino)acetyl]amino]-2-[[2-(benzyloxycarbonylamino)-6-[[2-(benzyloxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]-2-[[2-(phenylmethoxycarbonylamino)-6-[[2-(phenylmethoxycarbonylamino)acetyl]amino]hexanoyl]amino]hexanoate",NA,"COC(=O)C(CCCCNC(=O)CNC(=O)OCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)CNC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","QFIZAUYTFAEGQO-UHFFFAOYSA-N",381625,NA,"PDBC39582","668448","Present",NA,NA
+"39583","Methyl 6-acetyl-5-(2-diethylaminoethyloxy)-2-methyl-benzofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetyl-5-(O-ethyl-2?-diethylamino)-2-methyl-benzofuran...",NA,"CCN(CC)CCOC1=C(C=C2C(=C1)C(=C(O2)C)C(=O)OC)C(=O)C","LLRKPPKHCYSLCN-UHFFFAOYSA-N",24204525,NA,"PDBC39583","732113","Present",NA,NA
+"39584","Methyl 6-acetyloxy-1-oxo-2,3,3a,4,5,6-hexahydroindene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-acetyloxy-1-oxo-2,3,3a,4,5,6-hexahydroindene-4-carboxylate",NA,"CC(=O)OC1CC(C2CCC(=O)C2=C1)C(=O)OC","OTFGUENZDCZDMS-UHFFFAOYSA-N",359230,NA,"PDBC39584","619939","Present",NA,NA
+"39585","Methyl 6-benzyl-2,2,12-trimethyl-9-(2-(methylthio)ethyl)-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670356///NSC670357",NA,"CC(C(=O)OC)NC(=O)C(CCSC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C","MLEXHZTVIXNUFI-UHFFFAOYSA-N",382708,NA,"PDBC39585","670356///670357","Present",NA,NA
+"39586","Methyl 6-benzyl-2-[(E)-[3-(diacetylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furo[2,3-b]pyrrole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-benzyl-2-[(E)-[3-(diacetylamino)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]furo[2,3-b]pyrrole-5-carboxylate",NA,"CC(=O)N(C(=O)C)N1C(=O)C(=CC2=CC3=C(O2)N(C(=C3)C(=O)OC)CC4=CC=CC=C4)SC1=S","XJICINTZDUMAOB-YBFXNURJSA-N",24204592,NA,"PDBC39586","732277","Present",NA,NA
+"39587","Methyl 6-chloro-2-(3,4-dichlorophenyl)quinazoline-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HPNOHKRDTXAADW-UHFFFAOYSA-N",NA,"COC(=O)C1=NC(=NC2=C1C=C(C=C2)Cl)C3=CC(=C(C=C3)Cl)Cl","HPNOHKRDTXAADW-UHFFFAOYSA-N",472746,NA,"PDBC39587","626533","Present",NA,NA
+"39588","Methyl 6-chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carboxylate 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-chloro-3-(2-methylhydrazino)-1,4,2-benzodithiazine-7-carboxylate 1,1-dioxide",NA,"CNNC1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C(=O)OC)Cl","LOFUNGISFCXQDP-UHFFFAOYSA-N",378495,NA,"PDBC39588","661095","Present",NA,NA
+"39589","Methyl 6-chloro-3-[4-chloro-N-(dimethylamino)benzenesulfonamido]-1,4,2-benzodithiazine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-chloro-3-[4-chloro-N-(dimethylamino)benzenesulf...",NA,"CN(C)N(C1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C(=O)OC)Cl)S(=O)(=O)C3=CC=C(C=C3)Cl","QKKVZHCUDWRKGK-UHFFFAOYSA-N",24206072,NA,"PDBC39589","740009","Present",NA,NA
+"39590","Methyl 6-chloro-3-[5-bromo-N-(dimethylamino)-3-thienylsulfonamido]-1,-dioxo-1,4,2-benzodithiazine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-chloro-3-[5-bromo-N-(dimethylamino)-3-thienylsu...",NA,"CN(C)N(C1=NS(=O)(=O)C2=C(S1)C=C(C(=C2)C(=O)OC)Cl)S(=O)(=O)C3=CC=C(S3)Br","SDJKJGUEOCBRES-UHFFFAOYSA-N",24206073,NA,"PDBC39590","740010","Present",NA,NA
+"39591","Methyl 6-chloro-5-nitronicotinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACT02457",NA,"COC(=O)C1=CC(=C(N=C1)Cl)[N+](=O)[O-]","BRPREIDVQXJOJH-UHFFFAOYSA-N",346961,NA,"PDBC39591","405361","Present",NA,NA
+"39592","Methyl 6-hydroxy-1-tri(propan-2-yl)silyloxybicyclo[2.2.2]octane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-hydroxy-1-triisopropylsilyloxy-bicyclo[2.2.2]octane-7-carboxylate",NA,"CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1C(=O)OC)CC2O","JQPMCHOKNZDRBQ-UHFFFAOYSA-N",393383,NA,"PDBC39592","695216","Present",NA,NA
+"39593","Methyl 6-hydroxy-2-naphthoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5568AD",NA,"COC(=O)C1=CC2=C(C=C1)C=C(C=C2)O","UKZOPQRTQJERQC-UHFFFAOYSA-N",390995,NA,"PDBC39593","689401","Present",NA,NA
+"39594","Methyl 6-methyl-2-(2-methylbenzyl)-1-oxo-2-indanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-methyl-2-(2-methylbenzyl)-1-oxo-2-indanecarboxylate",NA,"CC1=CC2=C(CC(C2=O)(CC3=CC=CC=C3C)C(=O)OC)C=C1","ZRLPEMCRPOVDCG-UHFFFAOYSA-N",385672,NA,"PDBC39594","677018","Present",NA,NA
+"39595","Methyl 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6-oxo-5,6,7,12-tetrahydroindolo[3,2-d][1]benzazepine-9-carboxylate",NA,"COC(=O)C1=CC2=C(C=C1)NC3=C2CC(=O)NC4=CC=CC=C43","YKROMFXYBBYDLR-UHFFFAOYSA-N",400256,NA,"PDBC39595","711784","Present",NA,NA
+"39596","Methyl 6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3a,7-dihydropyrrolo[3,4-d]indole-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 6a-hydroxy-8-methyl-1,3,4-trioxo-2-phenyl-3a,7-dihydropyrrolo[3,4-d]indole-9-carboxylate",NA,"CC1=C(C23C(C(=O)C=CC2(N1)O)C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC","IONGZAQGFHKQGK-UHFFFAOYSA-N",405609,NA,"PDBC39596","722979","Present",NA,NA
+"39597","Methyl 7,8-bis(acetyloxy)-3-isoquinolinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Isoquinolinecarboxylic acid, 7,8-bis(acetyloxy)-, meth...",NA,"CC(=O)OC1=C(C2=CN=C(C=C2C=C1)C(=O)OC)OC(=O)C","IPAJXTAZSRNPTR-UHFFFAOYSA-N",375465,NA,"PDBC39597","655249","Present",NA,NA
+"39598","Methyl 7-((3-chlorobenzoyl)amino)-6-hydroxy-6,8-dimethyl-1-oxo-2-oxa-7-azaspiro[4.4]non-8-ene-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[(3-chlorobenzoyl)amino]-1-hydroxy-1,3-dimethyl-6-oxo-7-oxa-2-azaspiro[4.4]non-3-ene-4-carboxylate",NA,"CC1=C(C2(CCOC2=O)C(N1NC(=O)C3=CC(=CC=C3)Cl)(C)O)C(=O)OC","IUWVXJWJQXBOTH-UHFFFAOYSA-N",367825,NA,"PDBC39598","637900","Present",NA,NA
+"39599","Methyl 7-(2,6-dichloro-4-nitro-anilino)-4,6,7-trioxo-heptanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-[(2,6-dichloro-4-nitrophenyl)amino]-4,6,7-trioxoheptanoate",NA,"COC(=O)CCC(=O)CC(=O)C(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl","VYLYAUWPJSPYTL-UHFFFAOYSA-N",369791,NA,"PDBC39599","641878","Present",NA,NA
+"39600","Methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-dihydroxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-(3-acetyloxypropoxy)-4-[(2S)-2,3-dihydroxypropyl]-5-(methoxycarbonylamino)-1H-indole-2-carboxylate",NA,"CC(=O)OCCCOC1=C2C(=C(C(=C1)NC(=O)OC)CC(CO)O)C=C(N2)C(=O)OC","YRQLJFKFYFAWFW-LBPRGKRZSA-N",398126,NA,"PDBC39600","707553","Present",NA,NA
+"39601","Methyl 7-(benzylamino)-6-bromo-1,3-dimethyl-5,8-dioxoisoquinoline-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-(benzylamino)-6-bromo-1-methyl-5,8-dioxo-5,8-di...",NA,"CC1=C2C(=C(C(=N1)C)C(=O)OC)C(=O)C(=C(C2=O)NCC3=CC=CC=C3)Br","HIMAZCBWQKETBN-UHFFFAOYSA-N",155807972,NA,"PDBC39601","802086","Present",NA,NA
+"39602","Methyl 7-[(4-fluorophenyl)amino]-4,6,7-trioxoheptanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-[(4-fluorophenyl)amino]-4,6,7-trioxoheptanoate",NA,"COC(=O)CCC(=O)CC(=O)C(=O)NC1=CC=C(C=C1)F","JOCGZKDOBVOSFK-UHFFFAOYSA-N",369541,NA,"PDBC39602","641402","Present",NA,NA
+"39603","Methyl 7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(O-ethyl-2?-morpholino)-7-(p-methoxycinnamoyl)-3-methy...",NA,"CC1=C(OC2=C1C=CC(=C2C(=O)C=CC3=CC=C(C=C3)OC)OCCN4CCOCC4)C(=O)OC.Cl","FCYOMTWQXJOWHH-AAGWESIMSA-N",45028089,NA,"PDBC39603","741087","Present",NA,NA
+"39604","Methyl 7-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]-3-methyl-6-(3-piperidin-1-ylpropoxy)-1-benzofuran-2-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(O-propyl-3?-piperidino)-7-(p-methoxycinnamoyl)-3-meth...",NA,"CC1=C(OC2=C1C=CC(=C2C(=O)C=CC3=CC=C(C=C3)OC)OCCCN4CCCCC4)C(=O)OC.Cl","ZHNILHNTRLIOFL-KMZJGFRYSA-N",45028091,NA,"PDBC39604","741088","Present",NA,NA
+"39605","Methyl 7-acetyl-5-methoxy-3-methyl-6-(2-morpholin-4-ylethoxy)-1-benzofuran-2-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-acetyl-6-(O-ethyl-2?-morpholino)-5-methoxy-3-methyl-2-...",NA,"CC1=C(OC2=C(C(=C(C=C12)OC)OCCN3CCOCC3)C(=O)C)C(=O)OC.Cl","KBNZMNARCBDDBO-UHFFFAOYSA-N",45028085,NA,"PDBC39605","741085","Present",NA,NA
+"39606","Methyl 7-acetyloxy-2-(3,4-diacetyloxyphenyl)-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Benzofurancarboxylic acid, 7-(acetyloxy)-2-[3,4-bis(ac...",NA,"CC(=O)OC1=C(C=C(C=C1)C2C(C3=C(O2)C(=CC(=C3)C=CC(=O)OC)OC(=O)C)C(=O)OC)OC(=O)C","HWOAAHXBFVXZQX-RMKNXTFCSA-N",155807618,NA,"PDBC39606","794698","Present",NA,NA
+"39607","Methyl 7-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-amino-2-oxo-1H-1,8-naphthyridine-3-carboxylate",NA,"COC(=O)C1=CC2=C(NC1=O)N=C(C=C2)N","IPCRPUAICQMIOG-UHFFFAOYSA-N",5470381,NA,"PDBC39607","700522","Present",NA,NA
+"39608","Methyl 7-bromo-1-ethyl-3-oxo-9-azatricyclo[4.4.0.02,8]decane-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-bromo-1-ethyl-3-oxo-9-azatricyclo[4.4.0.02,8]decane-9-carboxylate",NA,"CCC12CN(C3C1C(=O)CCC2C3Br)C(=O)OC","UFVGAMDBFNYHBQ-UHFFFAOYSA-N",394582,NA,"PDBC39608","698162","Present",NA,NA
+"39609","Methyl 7-bromo-3-[(2-bromophenyl)carbamoyl]-1-(hydroxymethyl)-9-azatricyclo[4.4.0.02,8]dec-3-ene-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-bromo-3-[(2-bromophenyl)carbamoyl]-1-(hydroxymethyl)-9-azatricyclo[4.4.0.02,8]dec-3-ene-9-carboxylate",NA,"COC(=O)N1CC2(C3CC=C(C2C1C3Br)C(=O)NC4=CC=CC=C4Br)CO","FRVLYNWYLDPVEV-UHFFFAOYSA-N",394581,NA,"PDBC39609","698161","Present",NA,NA
+"39610","Methyl 7-chlorobenzo[c]acridine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-chlorobenzo[c]acridine-6-carboxylate",NA,"COC(=O)C1=CC2=CC=CC=C2C3=NC4=CC=CC=C4C(=C13)Cl","ZYRSLNBHKCPCGQ-UHFFFAOYSA-N",373416,NA,"PDBC39610","649676","Present",NA,NA
+"39611","Methyl 7-hydroxy-9-methyl-13-(phenylthio)-8-propionyl-10-tridecenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-hydroxy-9-methyl-13-(phenylthio)-8-propionyl-10-tridecenoate",NA,"CCC(=O)C(C(C)C=CCCSC1=CC=CC=C1)C(CCCCCC(=O)OC)O","NLKNRIQOWCDPRF-ACCUITESSA-N",5469500,NA,"PDBC39611","689219","Present",NA,NA
+"39612","Methyl 7-methyl-3-oxo-1,2-dihydroindene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-1-oxo-2-indanecarboxylate",NA,"CC1=C2CC(C(=O)C2=CC=C1)C(=O)OC","ANAXUBZSZJVHPT-UHFFFAOYSA-N",385667,NA,"PDBC39612","677013","Present",NA,NA
+"39613","Methyl 8-(chloromethyl)-4-(dimethylamino)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-(chloromethyl)-4-(dimethylamino)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,"CN(C)C1=C2C(=C3C(CN(C3=C1)C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)C=C(N2)C(=O)OC","MAMMFIUMKJUAKQ-UHFFFAOYSA-N",395185,NA,"PDBC39613","699483","Present",NA,NA
+"39614","Methyl 8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-(chloromethyl)-6-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=CC5=C4C=C(N5)C(=O)OC)CCl)OC)OC","APWWFQQORDQRJM-UHFFFAOYSA-N",394855,NA,"PDBC39614","698931","Present",NA,NA
+"39615","Methyl 8-[(2,4-dimethylphenyl)carbamoyl]naphthalene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-[(2,4-dimethylphenyl)carbamoyl]naphthalene-1-carboxylate",NA,"CC1=CC(=C(C=C1)NC(=O)C2=CC=CC3=C2C(=CC=C3)C(=O)OC)C","KSQZXLZLXSKWBI-UHFFFAOYSA-N",364293,NA,"PDBC39615","630311","Present",NA,NA
+"39616","Methyl 8-[(4-chlorophenyl)carbamoyl]naphthalene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-[(4-chlorophenyl)carbamoyl]naphthalene-1-carboxylate",NA,"COC(=O)C1=CC=CC2=C1C(=CC=C2)C(=O)NC3=CC=C(C=C3)Cl","LIFIDUDNLOGAMW-UHFFFAOYSA-N",364289,NA,"PDBC39616","630307","Present",NA,NA
+"39617","Methyl 8-chloro-11H-pyrido[2,3-a]carbazole-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-chloro-11H-pyrido[2,3-a]carbazole-5-carboxylate",NA,"COC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=C(N3)C=CC(=C4)Cl","PGMCIYDZAQJJIE-UHFFFAOYSA-N",44139053,NA,"PDBC39617","740206","Present",NA,NA
+"39618","Methyl 8-chloro-2-methyl-3,5-trioxo-2H-[1,2,3,5]thiatriazolo[4,5-b][1,4,2]benzodithiazine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-chloro-2-methyl-3,5,5-trioxo-2H-[1,2,3,5]thiatr...",NA,"CN1N=C2N(S1=O)S(=O)(=O)C3=C(S2)C=C(C(=C3)C(=O)OC)Cl","DSZMPEJGBJSQRA-UHFFFAOYSA-N",24206083,NA,"PDBC39618","740020","Present",NA,NA
+"39619","Methyl 8-chloro-2-methyl-3-(dimethylamino)-5,-dioxo-2,3-dihydro-[1,2,4]triazolo[4,3-b][1,4,2]benzodithiazine-7-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-chloro-2-methyl-3-(dimethylamino)-5,5,-dioxo-2,...",NA,"CN1C(N2C(=N1)SC3=C(S2(=O)=O)C=C(C(=C3)Cl)C(=O)OC)N(C)C","ZMPRPIHGSMOUKJ-UHFFFAOYSA-N",24206080,NA,"PDBC39619","740017","Present",NA,NA
+"39620","Methyl 8-cyano-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-cyano-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate",NA,"COC(=O)C1=CC2C(CC1OC2=O)C#N","XNOXMRKXEHGROW-UHFFFAOYSA-N",368287,NA,"PDBC39620","638791","Present",NA,NA
+"39621","Methyl 8-ethoxy-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-ethoxy-3-oxo-2-oxabicyclo[2.2.2]oct-5-ene-6-carboxylate",NA,"CCOC1CC2C(=CC1C(=O)O2)C(=O)OC","UCXFKRJNIWNODK-UHFFFAOYSA-N",368285,NA,"PDBC39621","638789","Present",NA,NA
+"39622","Methyl 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-hydroxy-5-(3,4,5-trimethoxyphenyl)benzo[f][1,3]benzodioxole-6-carboxylate",NA,"COC1=CC(=CC(=C1OC)OC)C2=C(C=C(C3=CC4=C(C=C32)OCO4)O)C(=O)OC","JCWRRVYWBMQVMH-UHFFFAOYSA-N",221309,NA,"PDBC39622","5705","Present",NA,NA
+"39623","Methyl 8-oxo-8H-indeno(2,1-b)thiophene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5Q693R9MON",NA,"COC(=O)C1=CC2=C(S1)C(=O)C3=CC=CC=C32","CJTMSFGZFMQLIO-UHFFFAOYSA-N",288506,NA,"PDBC39623","149720","Present",NA,NA
+"39624","Methyl 8-oxospiro[1,2,3,6-tetrahydro-as-indacene-7,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[as-indacene-2(1H),2'(1'H)-s-indacene]- 4'-carboxyl...",NA,"COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=C(C4=O)C6=C(CCC6)C=C5","JYSSUGUBXSEPIN-UHFFFAOYSA-N",385719,NA,"PDBC39624","677065","Present",NA,NA
+"39625","Methyl 8a-(1-pyrrolidinyl)-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8a-(1-pyrrolidinyl)-1,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate",NA,"COC(=O)C1C=CCC2C1(CCCC2)N3CCCC3","KGVIFVCQEQXNSN-UHFFFAOYSA-N",363785,NA,"PDBC39625","628998","Present",NA,NA
+"39626","Methyl 9,10-diphenyl-4-azatetracyclo[6.2.1.02,7.03,6]undec-9-ene-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 9,10-diphenyl-4-azatetracyclo[6.2.1.02,7.03,6]undec-9-ene-4-carboxylate",NA,"COC(=O)N1CC2C1C3C2C4CC3C(=C4C5=CC=CC=C5)C6=CC=CC=C6","FZZYGBFGNWPQRI-UHFFFAOYSA-N",392685,NA,"PDBC39626","693403","Present",NA,NA
+"39627","Methyl 9-acetyl-5-hydroxybicyclo[3.2.2]non-6-ene-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 8-acetyl-1-hydroxy-bicyclo[3.2.2]non-6-ene-7-carboxylate",NA,"CC(=O)C1CC2CCCC1(C(=C2)C(=O)OC)O","SNDQMKAHNIJHJE-UHFFFAOYSA-N",397724,NA,"PDBC39627","706132","Present",NA,NA
+"39628","Methyl 9-acetylpyrido[3,4-b]indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 9-acetylpyrido[3,4-b]indole-3-carboxylate",NA,"CC(=O)N1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)OC","MBDNGZRFJGFGGO-UHFFFAOYSA-N",363114,NA,"PDBC39628","627682","Present",NA,NA
+"39629","Methyl 9-cyano-5-hydroxy-2-oxo-7,8-diphenyl-1,3-dihydro-1-benzazepine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 9-cyano-5-hydroxy-2-oxo-7,8-diphenyl-1,3-dihydro-1-benzazepine-4-carboxylate",NA,"COC(=O)C1=C(C2=C(C(=C(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N)NC(=O)C1)O","GMVSBGAEOYADLZ-UHFFFAOYSA-N",54676222,NA,"PDBC39629","621871","Present",NA,NA
+"39630","Methyl 9-dodecyl-7-imino-1-oxa-6,8-diazaspiro[4.5]decane-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 9-dodecyl-7-imino-1-oxa-6,8-diazaspiro[4.5]decane-10-carboxylate",NA,"CCCCCCCCCCCCC1C(C2(CCCO2)NC(=N1)N)C(=O)OC","HTSPYIJSTBNFAM-UHFFFAOYSA-N",380166,NA,"PDBC39630","665604","Present",NA,NA
+"39631","Methyl 9-methyl-1-phenyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 9-methyl-1-phenyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylate",NA,"CN1C2=CC=CC=C2C3=C1C(NC(C3)C(=O)OC)C4=CC=CC=C4","ZRPFXMVEESNOOZ-UHFFFAOYSA-N",363927,NA,"PDBC39631","629415","Present",NA,NA
+"39632","Methyl D-glucopyranoside 6-sulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl D-glucopyranoside 6-sulfonate",NA,"COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O","JEDDBBMWFRBGHF-UHFFFAOYSA-N",362766,NA,"PDBC39632","627044","Present",NA,NA
+"39633","Methyl N'-(2,4-dichloro-5-methylphenyl)sulfonyl-N-(quinoxalin-2-ylamino)carbamimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N'-(2,4-dichloro-5-methylphenyl)sulfonyl-N-(quinoxalin-2-ylamino)carbamimidothioate",NA,"CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N=C(NNC2=NC3=CC=CC=C3N=C2)SC","CREGMJVFGGWTEH-UHFFFAOYSA-N",5896574,NA,"PDBC39633","674023","Present",NA,NA
+"39634","Methyl N'-(2-ethoxyphenyl)-N-propanoylcarbamimidothioate;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640346",NA,"CCC(=O)NC(=NC1=CC=CC=C1OCC)SC.I","YWEPHDAICVRZSY-UHFFFAOYSA-N",135423141,NA,"PDBC39634","640346","Present",NA,NA
+"39635","Methyl N'-[[4-oxo-4-[2-(trifluoromethyl)anilino]butanoyl]amino]carbamimidothioate;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N'-[[4-oxo-4-[2-(trifluoromethyl)anilino]butanoyl]amino]carbamimidothioate;hydroiodide",NA,"CSC(=NNC(=O)CCC(=O)NC1=CC=CC=C1C(F)(F)F)N.I","PEPGKNIBXUISOB-UHFFFAOYSA-N",9569795,NA,"PDBC39635","618477","Present",NA,NA
+"39636","Methyl N-(4-chlorobenzoyl)-N'-propylcarbamimidothioate;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658255",NA,"CCCN=C(NC(=O)C1=CC=C(C=C1)Cl)SC.I","QBMDBNHLVJMZQU-UHFFFAOYSA-N",377038,NA,"PDBC39636","658255","Present",NA,NA
+"39637","Methyl N-(4-methylpyridin-2-yl)carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-methyl-2-pyridinyldithiocarbamate",NA,"CC1=CC(=NC=C1)NC(=S)SC","MIUKIWQQPALDKI-UHFFFAOYSA-N",3005020,NA,"PDBC39637","667881","Present",NA,NA
+"39638","Methyl N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Dihydro-5,8-dioxa-1-thia-3-aza-cyclopenta{B}naphthal...",NA,"COC(=O)NC1=NC2=CC3=C(C=C2S1)OCCO3","ISHLNFPZQZWXDF-UHFFFAOYSA-N",817755,NA,"PDBC39638","764932","Present",NA,NA
+"39639","Methyl N-(6-bromo-1H-benzimidazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, (5-bromo-1H-benzimidazol-2-yl)-, methyl e...",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)Br","CLOUFUJTHZGQMB-UHFFFAOYSA-N",290654,NA,"PDBC39639","154754","Present",NA,NA
+"39640","Methyl N-(6-methylpyridin-2-yl)carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamodithioic acid, (6-methyl-2-pyridinyl)-, methyl ester",NA,"CC1=NC(=CC=C1)NC(=S)SC","PLWXTXHTZPMTSK-UHFFFAOYSA-N",3002252,NA,"PDBC39640","667882","Present",NA,NA
+"39641","Methyl N-(6-methylsulfanylsulfonyl-1H-benzimidazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-(6-methylsulfanylsulfonyl-1H-benzimidazol-2-yl)carbamate",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)SC","USCXPGPCIBBSHN-UHFFFAOYSA-N",400914,NA,"PDBC39641","713598","Present",NA,NA
+"39642","Methyl N-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-(6-morpholin-4-ylsulfonyl-1H-benzimidazol-2-yl)carbamate",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N3CCOCC3","ZZJTXZJQTQRHDA-UHFFFAOYSA-N",399816,NA,"PDBC39642","710914","Present",NA,NA
+"39643","Methyl N-(methoxycarbonylamino)carbamate;methyl N-[2-(methoxycarbonylamino)phenyl]carbamate;methyl 4-methoxycarbonyloxy-1-oxophthalazine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-(methoxycarbonylamino)carbamate;methyl N-[2-(methoxycarbonylamino)phenyl]carbamate;methyl 4-methoxycarbonyloxy-1-oxophthalazine-2-carboxylate",NA,"COC(=O)NC1=CC=CC=C1NC(=O)OC.COC(=O)NNC(=O)OC.COC(=O)N1C(=O)C2=CC=CC=C2C(=N1)OC(=O)OC","PBZIPGRSRIBXGL-UHFFFAOYSA-N",355529,NA,"PDBC39643","609355","Present",NA,NA
+"39644","Methyl N-(pyridine-4-carbonylamino)carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL490262",NA,"CSC(=S)NNC(=O)C1=CC=NC=C1","FZFDBKODIDXCQF-UHFFFAOYSA-N",3000602,NA,"PDBC39644","636795","Present",NA,NA
+"39645","Methyl N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[(E)-1-(4-hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]carbamate",NA,"CC1=CC(=C(C(=O)O1)C(=NNC(=O)OC)C)O","NKPMGLSEEIIXLP-IZZDOVSWSA-N",135455594,NA,"PDBC39645","618489","Present",NA,NA
+"39646","Methyl N-[(E)-1-[2-[5-[(E)-N-(methoxycarbonylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[(E)-1-[2-[5-[(E)-N-(methoxycarbonylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]carbamate",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=NNC(=O)OC)C)C)C(=NNC(=O)OC)C","ZGOPZMBFURLQGR-LQGKIZFRSA-N",9571324,NA,"PDBC39646","642617","Present",NA,NA
+"39647","Methyl N-[(E)-1-[4-[methyl(phenyl)sulfamoyl]phenyl]ethylideneamino]carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[(E)-1-[4-[methyl(phenyl)sulfamoyl]phenyl]ethylideneamino]carbamodithioate",NA,"CC(=NNC(=S)SC)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2","XMMVECJQUUJIMV-QGOAFFKASA-N",9572027,NA,"PDBC39647","691414","Present",NA,NA
+"39648","Methyl N-[(Z)-[2-(3-hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[(Z)-[2-(3-hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-1-phenylethylidene]amino]carbamate",NA,"COC(=O)NN=C(CC1(C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O)O)C3=CC=CC=C3","NVGPURSIRSECPC-HKWRFOASSA-N",9555771,NA,"PDBC39648","618447","Present",NA,NA
+"39649","Methyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[2-(6-anilino-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate",NA,"COC(=O)NCCC1=C2C(=O)C=C(C(=O)C2=NN1)NC3=CC=CC=C3","UQFBQDRIPMMBLB-UHFFFAOYSA-N",388011,NA,"PDBC39649","682432","Present",NA,NA
+"39650","Methyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[2-(6-methoxy-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate",NA,"COC1=CC(=O)C2=C(NN=C2C1=O)CCNC(=O)OC","DVAOYJGNTDMCHE-UHFFFAOYSA-N",383844,NA,"PDBC39650","672555","Present",NA,NA
+"39651","Methyl N-[2-(6-morpholin-4-yl-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[2-(6-morpholin-4-yl-4,7-dioxo-2H-indazol-3-yl)ethyl]carbamate",NA,"COC(=O)NCCC1=C2C(=O)C=C(C(=O)C2=NN1)N3CCOCC3","FSXCVDXCVJIUIE-UHFFFAOYSA-N",386840,NA,"PDBC39651","679564","Present",NA,NA
+"39652","Methyl N-[2-(cyclohexen-1-yl)ethyl]-N-(methoxymethyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[2-(cyclohexen-1-yl)ethyl]-N-(methoxymethyl)carbamate",NA,"COCN(CCC1=CCCCC1)C(=O)OC","OUOXOPAVMXWUQK-UHFFFAOYSA-N",394082,NA,"PDBC39652","697220","Present",NA,NA
+"39653","Methyl N-[2-(cyclohexen-1-yl)ethyl]ethanimidate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[2-(cyclohexen-1-yl)ethyl]ethanimidate",NA,"CC(=NCCC1=CCCCC1)OC","FLALOJZXYMIQAA-UHFFFAOYSA-N",394081,NA,"PDBC39653","697219","Present",NA,NA
+"39654","Methyl N-[2-(methoxycarbonylamino)-4-oxo-1,3-dihydroquinazolin-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethyl-4-oxo-1,2,3,4-tetrahydroquinazoline  2,2-diyl-d...",NA,"COC(=O)NC1(NC2=CC=CC=C2C(=O)N1)NC(=O)OC","LNTDJAMHPDSXLY-UHFFFAOYSA-N",353373,NA,"PDBC39654","601347","Present",NA,NA
+"39655","Methyl N-[2-[6-(2-methoxyanilino)-4,7-dioxo-2H-indazol-3-yl]ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[2-[6-(2-methoxyanilino)-4,7-dioxo-2H-indazol-3-yl]ethyl]carbamate",NA,"COC1=CC=CC=C1NC2=CC(=O)C3=C(NN=C3C2=O)CCNC(=O)OC","UFVDWNKZJYZYTB-UHFFFAOYSA-N",388012,NA,"PDBC39655","682433","Present",NA,NA
+"39656","Methyl N-[6-(1-thiophen-2-ylethenyl)-1H-benzimidazol-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [5-[1-(2-thienyl)ethenyl]-1H-benzimidazol...",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=C)C3=CC=CS3","ZEABLLDFGWGWPV-UHFFFAOYSA-N",343070,NA,"PDBC39656","381862","Present",NA,NA
+"39657","Methyl N-[6-(benzotriazol-1-ylsulfonyl)-1H-benzimidazol-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[6-(benzotriazol-1-ylsulfonyl)-1H-benzimidazol-2-yl]carbamate",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)N3C4=CC=CC=C4N=N3","JGQGFKZNWHATGU-UHFFFAOYSA-N",399811,NA,"PDBC39657","710909","Present",NA,NA
+"39658","Methyl N-[6-(diethylsulfamoyl)-1H-benzimidazol-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[6-(diethylsulfamoyl)-1H-benzimidazol-2-yl]carbamate",NA,"CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N=C(N2)NC(=O)OC","CIJKUVXXMAOJJA-UHFFFAOYSA-N",399817,NA,"PDBC39658","710915","Present",NA,NA
+"39659","Methyl N-[6-(methoxycarbonylamino)pyren-1-yl]carbamate;methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[6-(methoxycarbonylamino)pyren-1-yl]carbamate;methyl N-[8-(methoxycarbonylamino)pyren-1-yl]carbamate",NA,"COC(=O)NC1=C2C=CC3=C4C2=C(C=CC4=C(C=C3)NC(=O)OC)C=C1.COC(=O)NC1=C2C=CC3=C(C=CC4=C3C2=C(C=C4)C=C1)NC(=O)OC","VYGTVLSVQVMHHR-UHFFFAOYSA-N",233937,NA,"PDBC39659","33092","Present",NA,NA
+"39660","Methyl N-[6-(pyridin-2-ylsulfamoyl)-1H-benzimidazol-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[6-(pyridin-2-ylsulfamoyl)-1H-benzimidazol-2-yl]carbamate",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)(=O)NC3=CC=CC=N3","ODZDDYJIBKGFPK-UHFFFAOYSA-N",399814,NA,"PDBC39660","710912","Present",NA,NA
+"39661","Methyl N-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[6-(thiophen-2-ylsulfonylamino)-1H-benzimidazol-2-yl]carbamate",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)NS(=O)(=O)C3=CC=CS3","XZGNWVUSVRHWDL-UHFFFAOYSA-N",404122,NA,"PDBC39661","720245","Present",NA,NA
+"39662","Methyl N-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[6-(thiophene-2-carbonylamino)-1H-benzimidazol-2-yl]carbamate",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=CS3","JCTLTGIHDXFGFP-UHFFFAOYSA-N",404116,NA,"PDBC39662","720239","Present",NA,NA
+"39663","Methyl N-[6-[(4-chlorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[6-[(4-chlorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Cl","KZXUVZISLUGOJI-UHFFFAOYSA-N",404121,NA,"PDBC39663","720244","Present",NA,NA
+"39664","Methyl N-[6-[(4-fluorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[6-[(4-fluorophenyl)sulfonylamino]-1H-benzimidazol-2-yl]carbamate",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)F","SQKFIMBPIYOIMJ-UHFFFAOYSA-N",404125,NA,"PDBC39664","720248","Present",NA,NA
+"39665","Methyl N-[6-[(4-iodobenzoyl)amino]-1H-benzimidazol-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[6-[(4-iodobenzoyl)amino]-1H-benzimidazol-2-yl]carbamate",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)I","GIBBXVFAQVGNHF-UHFFFAOYSA-N",404128,NA,"PDBC39665","720251","Present",NA,NA
+"39666","Methyl N-[bis(4-chlorophenyl)methylamino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-[bis(4-chlorophenyl)methylamino]carbamate",NA,"COC(=O)NNC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl","HZBVEYLECKQCQO-UHFFFAOYSA-N",392318,NA,"PDBC39666","692594","Present",NA,NA
+"39667","Methyl N-benzoyl-N'-(4-ethoxyphenyl)carbamimidothioate;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646788",NA,"CCOC1=CC=C(C=C1)N=C(NC(=O)C2=CC=CC=C2)SC.I","MEZWOKGIRYMYAC-UHFFFAOYSA-N",135499243,NA,"PDBC39667","646788","Present",NA,NA
+"39668","Methyl N-cyano-N'-(2-(1H-indol-3-yl)ethyl)imidothiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyano-3-[2-(1H-indol-3-yl)ethyl]-2-methyl-isothiourea",NA,"CSC(=NCCC1=CNC2=CC=CC=C21)NC#N","IWXCGOHOFKJLQY-UHFFFAOYSA-N",375245,NA,"PDBC39668","654634","Present",NA,NA
+"39669","Methyl N-cyano-N'-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-cyano-N'-[2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]carbamimidothioate",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N=C(NC#N)SC","KUMBSBAWDIYUJF-UHFFFAOYSA-N",381005,NA,"PDBC39669","666990","Present",NA,NA
+"39670","Methyl N-methyl-N-[[6-[[methyl(methylsulfanylcarbothioyl)amino]carbamoyl]pyridine-2-carbonyl]amino]carbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 2,2'-(pyridine-2,6-diyldicarbonyl)bis(1-methylhydrazinecarbodithioate)",NA,"CN(C(=S)SC)NC(=O)C1=NC(=CC=C1)C(=O)NN(C)C(=S)SC","OUANBUWDNZXOSX-UHFFFAOYSA-N",375401,NA,"PDBC39670","655072","Present",NA,NA
+"39671","Methyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl N-phenyl-N'-(phenylcarbamothioyl)carbamimidothioate",NA,"CSC(=NC(=S)NC1=CC=CC=C1)NC2=CC=CC=C2","QIIJJOYSKDPSJY-UHFFFAOYSA-N",9569861,NA,"PDBC39671","622587","Present",NA,NA
+"39672","Methyl Violet 2B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Gentian Violet B",NA,"CN=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C=C1.Cl","JFTBTTPUYRGXDG-UHFFFAOYSA-N",196986,NA,"PDBC39672","47731","Present",NA,NA
+"39673","Methyl [(2-{[(3-amino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-(2-(N-(3-amino-1H-1,2,4-triazol-5-yl)sulfamoyl)...",NA,"CC1=CC(=C(C=C1Cl)SCC(=O)OC)S(=O)(=O)NC2=NNC(=N2)N","DZJSPJKWJUJAHC-UHFFFAOYSA-N",378477,NA,"PDBC39673","661077","Present",NA,NA
+"39674","Methyl apholate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl apholate",NA,"CC1CN1P2(=NP(=NP(=N2)(N3CC3C)N4CC4C)(N5CC5C)N6CC6C)N7CC7C","NGZPBOGBIKWFQY-UHFFFAOYSA-N",72596,NA,"PDBC39674","58788","Present",NA,NA
+"39675","Methyl bromo(2,3-dihydro-1H-inden-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl bromo(2,3-dihydro-1H-inden-1-yl)acetate",NA,"COC(=O)C(C1CCC2=CC=CC=C12)Br","MGHOLMISTCETTF-UHFFFAOYSA-N",372430,NA,"PDBC39675","647544","Present",NA,NA
+"39676","Methyl ciliarate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl ciliarate",NA,"CC12CCCC(C1CCC34C2CC5C(C3)C5(C4)C)(C)C(=O)OC","DBYBRADCKQFKPC-GRPNHFIBSA-N",338441,NA,"PDBC39676","360853","Present",NA,NA
+"39677","Methyl cyano(1-(3-phenylpropyl)-1,4-dihydro-5H-tetraazol-5-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl cyano(1-(3-phenylpropyl)-1,4-dihydro-5H-tetraazol-5-ylidene)acetate",NA,"COC(=O)C(=C1N=NNN1CCCC2=CC=CC=C2)C#N","ZNHLDYHIXQWHJO-OUKQBFOZSA-N",5387690,NA,"PDBC39677","625766","Present",NA,NA
+"39678","Methyl cyano(1-(4-methoxyphenyl)-1,4-dihydro-5H-tetraazol-5-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl cyano(1-(4-methoxyphenyl)-1,4-dihydro-5H-tetraazol-5-ylidene)acetate",NA,"COC1=CC=C(C=C1)N2C(=C(C#N)C(=O)OC)N=NN2","JBFDICDXPAHJBS-ZHACJKMWSA-N",5387689,NA,"PDBC39678","625765","Present",NA,NA
+"39679","Methyl cyano(3-cyano-6-oxo-4-phenyl-2-piperidinylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl cyano(3-cyano-6-oxo-4-phenyl-2-piperidinylidene)acetate",NA,"COC(=O)C(=C1C(C(CC(=O)N1)C2=CC=CC=C2)C#N)C#N","ROOZMSDNCRRZJK-SQFISAMPSA-N",3005060,NA,"PDBC39679","669029","Present",NA,NA
+"39680","Methyl cyano(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl cyano(3-oxo-2,3-dihydro-1H-isoindol-1-yl)acetate",NA,"COC(=O)C(C#N)C1C2=CC=CC=C2C(=O)N1","GKHUFIUSEFAFLD-UHFFFAOYSA-N",368847,NA,"PDBC39680","640182","Present",NA,NA
+"39681","Methyl cyano(9H-xanthen-9-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl cyano(9H-xanthen-9-ylidene)acetate",NA,"COC(=O)C(=C1C2=CC=CC=C2OC3=CC=CC=C31)C#N","CFXNTQRVJXOTCW-UHFFFAOYSA-N",367027,NA,"PDBC39681","636354","Present",NA,NA
+"39682","Methyl dibenzylphosphinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl dibenzylphosphinate",NA,"COP(=O)(CC1=CC=CC=C1)CC2=CC=CC=C2","ILKIVFZKEYTAFQ-UHFFFAOYSA-N",380768,NA,"PDBC39682","666478","Present",NA,NA
+"39683","Methyl diethyl-(3,3-diphenyl-3-hydroxypropyl)ammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665902",NA,"CC[N+](C)(CC)CCC(C1=CC=CC=C1)(C2=CC=CC=C2)O.[Cl-]","UQUNQXLRCRYILZ-UHFFFAOYSA-M",203501,NA,"PDBC39683","665902","Present",NA,NA
+"39684","Methyl diethyldithiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl diethyldithiocarbamate",NA,"CCN(CC)C(=S)SC","JYRXPFCUABYLPD-UHFFFAOYSA-N",12704,NA,"PDBC39684","133269","Present",NA,NA
+"39685","Methyl dimethyldithiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"forbiat",NA,"CN(C)C(=S)SC","NBBZMDUHKWRYSZ-UHFFFAOYSA-N",19526,NA,"PDBC39685","40176","Present",NA,NA
+"39686","Methyl ester prodigiosene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl ester prodigiosene",NA,"CC1=C(NC(=C1C(=O)OC)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","LJLCDJJUJPXYMF-ZTXYIFKNSA-N",136040158,NA,"PDBC39686","753661","Present",NA,NA
+"39687","Methyl farnesoate 10,11-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl farnesoate 10,11-diol",NA,"CC(=CCCC(=CC(=O)OC)C)CCC(C(C)(C)O)O","MBJDYYPZJXVUHJ-ZPLWXOMKSA-N",5469452,NA,"PDBC39687","688247","Present",NA,NA
+"39688","Methyl green",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl green",NA,"CC[N+](C)(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=C(C=C3)N(C)C.[Cl-].[Br-]","IDAQSADEMXDTKN-UHFFFAOYSA-L",84671,NA,"PDBC39688","3091","Present",NA,NA
+"39689","Methyl hexahydro-1H-pyrrolizine-7a-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2832AA",NA,"COC(=O)C12CCCN1CCC2","HBZKVVLPFLBBNV-UHFFFAOYSA-N",394149,NA,"PDBC39689","697383","Present",NA,NA
+"39690","Methyl isobutyrimidate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646158",NA,"CC(C)C(=N)OC.Cl","RMXGPHAHPIIESQ-UHFFFAOYSA-N",371709,NA,"PDBC39690","646158","Present",NA,NA
+"39691","Methyl isonuapauanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl isonuapauanoate",NA,"CC(C1CCC(OO1)(C)CCC2C(=C)CCCC2(C)C)C(=O)OC","MYBJZJMUOIRKIX-UHFFFAOYSA-N",387914,NA,"PDBC39691","682148","Present",NA,NA
+"39692","Methyl lactoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DR5",NA,NA,"COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O","FHNIYFZSHCGBPP-ABBMIVAOSA-N",121942,NA,"PDBC39692",NA,"Absent",NA,NA
+"39693","Methyl linolenate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Linolenic acid methyl ester",NA,"CCC=CCC=CCC=CCCCCCCCC(=O)OC","DVWSXZIHSUZZKJ-YSTUJMKBSA-N",5319706,NA,"PDBC39693","607759","Present",NA,NA
+"39694","Methyl lithocholate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl lithocholate",NA,"CC(CCC(=O)OC)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","YXZVCZUDUJEPPK-ULCLHEGSSA-N",92880,NA,"PDBC39694","63558","Present",NA,NA
+"39695","Methyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl mesylate",NA,"COS(=O)(=O)C","MBABOKRGFJTBAE-UHFFFAOYSA-N",4156,NA,"PDBC39695","50256","Present",NA,NA
+"39696","Methyl orotate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Carbomethyoxyuracil",NA,"COC(=O)C1=CC(=O)NC(=O)N1","UUTDWTOZAWFKFW-UHFFFAOYSA-N",80257,NA,"PDBC39696","42009","Present",NA,NA
+"39697","Methyl oxo(1-(phenylsulfonyl)-1H-indol-2-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FMXYYPVQVMPNGI-UHFFFAOYSA-N",NA,"COC(=O)C(=O)C1=CC2=CC=CC=C2N1S(=O)(=O)C3=CC=CC=C3","FMXYYPVQVMPNGI-UHFFFAOYSA-N",386818,NA,"PDBC39697","679526","Present",NA,NA
+"39698","Methyl oxo(9-(3-oxobutyl)-9H-fluoren-9-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl oxo(9-(3-oxobutyl)-9H-fluoren-9-yl)acetate",NA,"CC(=O)CCC1(C2=CC=CC=C2C3=CC=CC=C31)C(=O)C(=O)OC","VAHWVVUIAHIRMX-UHFFFAOYSA-N",362104,NA,"PDBC39698","625632","Present",NA,NA
+"39699","Methyl phaeophorbide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl phaeophorbide",NA,"CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OC)C4=N3)C(=O)OC)O)C)C","HUXSMOZWPXDRTN-UHFFFAOYSA-N",73074,NA,"PDBC39699","407320","Present",NA,NA
+"39700","Methyl phenanthro[3,4-d][1,3]dioxole-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-ACETYLSULFANILYL CHLORIDE",NA,"COC(=O)C1=CC2=CC=CC=C2C3=C1C=CC4=C3OCO4","IWENRJHTKYJGKC-UHFFFAOYSA-N",278267,NA,"PDBC39700","127680","Present",NA,NA
+"39701","Methyl phenoxathiine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl phenoxathiine-4-carboxylate",NA,"COC(=O)C1=C2C(=CC=C1)SC3=CC=CC=C3O2","HCPKCEOYLWCXQI-UHFFFAOYSA-N",336542,NA,"PDBC39701","351291","Present",NA,NA
+"39702","Methyl phenyl((trimethylgermyl)oxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl phenyl((trimethylgermyl)oxy)acetate",NA,"COC(=O)C(C1=CC=CC=C1)O[Ge](C)(C)C","CFVPTHIYZDGEFF-UHFFFAOYSA-N",16683230,NA,"PDBC39702","645572","Present",NA,NA
+"39703","Methyl protodioscin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl protodioscin",NA,"CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC","HSSJYSJXBOCKQM-PSAGPQRNSA-N",6712585,NA,"PDBC39703","698790","Present",NA,NA
+"39704","Methyl protoneogracillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl protoneogracillin",NA,"CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC","LOSNTJHBTWBJCC-MDTKVUAWSA-N",6712588,NA,"PDBC39704","698793","Present",NA,NA
+"39705","Methyl pyrazolo[1,5-a]quinoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl pyrazolo[1,5-a]quinoline-3-carboxylate",NA,"COC(=O)C1=C2C=CC3=CC=CC=C3N2N=C1","PBZMMNVEJQEPNQ-UHFFFAOYSA-N",392523,NA,"PDBC39705","693039","Present",NA,NA
+"39706","Methyl spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carboxylate",NA,"COC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C5=C(CCC5)C=C4)C=C1","OYUWKPJKIIXVBL-UHFFFAOYSA-N",385725,NA,"PDBC39706","677072","Present",NA,NA
+"39707","Methyl spiro[1,3-dioxolane-2,3'-2,4,5,6,7,8-hexahydro-1H-naphthalene]-1'-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl spiro[1,3-dioxolane-2,3'-2,4,5,6,7,8-hexahydro-1H-naphthalene]-1'-carboxylate",NA,"COC(=O)C1CC2(CC3=C1CCCC3)OCCO2","SLRWFSWGNNVATD-UHFFFAOYSA-N",359538,NA,"PDBC39707","620521","Present",NA,NA
+"39708","Methyl spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-indane]-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate",NA,"COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=CC=CC=C5C4","QOAOFURYUODFOU-UHFFFAOYSA-N",385715,NA,"PDBC39708","677061","Present",NA,NA
+"39709","Methyl streptonigrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mes (van)",NA,"CC1=C(C(=C(N=C1C(=O)OC)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O","HKZHTIOXLTVSKR-UHFFFAOYSA-N",18834,NA,"PDBC39709","45384","Present",NA,NA
+"39710","Methyl tetracyclo[3.3.1.02,4.06,8]nonane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl tetracyclo[3.3.1.02,4.06,8]nonane-1-carboxylate",NA,"COC(=O)C12CC(C3C1C3)C4C2C4","TVNFRIGVJGPMLA-UHFFFAOYSA-N",372436,NA,"PDBC39710","647550","Present",NA,NA
+"39711","Methyl(4-methylphenyl)[(4-nitrophenyl)sulfonyl]amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(4-methylphenyl)[(4-nitrophenyl)sulfonyl]amine",NA,"CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","LERDDYBGAMSYLV-UHFFFAOYSA-N",383162,NA,"PDBC39711","671275","Present",NA,NA
+"39712","Methyl(4s)-2-oxo-1-(phenylacetyl)imidazolidine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl(4s)-2-oxo-1-(phenylacetyl)imidazolidine-4-carboxylate",NA,"COC(=O)C1CN(C(=O)N1)C(=O)CC2=CC=CC=C2","CFQGDTYGTAPBQX-JTQLQIEISA-N",385471,NA,"PDBC39712","676707","Present",NA,NA
+"39713","Methyl-1-methyl-4-[1-methyl-4-(1-methyl-5-nitro-3-carboxamid o)-pyrrole-2-carboxamido]-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-1-methyl-4-[1-methyl-4-(1-methyl-5-nitro-3-carbox...",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)OC)C)NC(=O)C3=CN(C(=C3)[N+](=O)[O-])C","CYFUQNDPSWYVTQ-UHFFFAOYSA-N",24204476,NA,"PDBC39713","732004","Present",NA,NA
+"39714","Methyl-2-(6-chloro-3-hydroxyquinoxalin-2-yl)-4-(3,4-dimethylphenylamino)-3-hydrazono-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-2-(6-chloro-3-hydroxyquinoxalin-2-yl)-4-(3,4-dime...",NA,"CC1=C(C=C(C=C1)NC(=O)C(=NN)C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(=O)OC)C","LNYJQMPOOARILC-IMRQLAEWSA-N",5900398,NA,"PDBC39714","648658","Present",NA,NA
+"39715","Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)prop-3-yn-oate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)prop-3-yn...",NA,"COC(=O)C#CC1(C=CC(=O)C=C1)O","SBCNOLLKGYTHEH-UHFFFAOYSA-N",396292,NA,"PDBC39715","701992","Present",NA,NA
+"39716","Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-4-(1-hydroxy-4-oxocyclohexa-2,5-di-enyl)propanoate",NA,"COC(=O)CCC1(C=CC(=O)C=C1)O","TUGCOAKZCYEXGP-UHFFFAOYSA-N",396291,NA,"PDBC39716","701991","Present",NA,NA
+"39717","Methyl-4-(6,7-difluoroquinoxalin-2-yl)-oxyphenylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-4-(6,7-difluoroquinoxalin-2-yl)-oxyphenylacetate",NA,"COC(=O)CC1=CC=C(C=C1)OC2=NC3=CC(=C(C=C3N=C2)F)F","OEHDAMWXMHZIHW-UHFFFAOYSA-N",405749,NA,"PDBC39717","723323","Present",NA,NA
+"39718","Methyl-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spiro-1''-(4''-methyl)cyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720295///NSC720296",NA,"CC1CCC2(CC1)OOC3(CCC4(C(C3)CC(C5C4CC(C6(C5CCC6C(C)CCC(=O)OC)C)OC(=O)C)OC(=O)C)C)OO2","KWGXYYDWZMLXGP-ILOYHABPSA-N",404155,NA,"PDBC39718","720295///720296","Present",NA,NA
+"39719","Methyl-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spirocyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-7.alpha.,12.alpha.-Diacetoxy-5.beta.-cholan-24-oa...",NA,"CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","WESCDBGGMVOYJU-NWKBRAPTSA-N",404150,NA,"PDBC39719","720290","Present",NA,NA
+"39720","Methyl-Gag",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mggh",NA,"CC(=NN=C(N)N)C=NN=C(N)N.Cl","RRECQJYPJNWFNK-BCKSSGNJSA-N",54598306,NA,"PDBC39720","32946","Present",NA,NA
+"39721","Methyl-N-[6(dimethoxy-(2-thienyl)-4-quinazolinyl] anthranilate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl-N-[6(dimethoxy-(2-thienyl)-4-quinazolinyl] anthra...",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NC4=CC=CC=C4C(=O)OC)OC","BKCBNZWMXPIXSQ-UHFFFAOYSA-N",405778,NA,"PDBC39721","723421","Present",NA,NA
+"39722","Methyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]-bis[3-[(9-methylphenazine-1-carbonyl)amino]propyl]azanium;acetate",NA,"CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCC[N+](C)(CCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C)CC7=C(N=CN7C)[N+](=O)[O-].CC(=O)[O-]","WCIQGRVPVRKIBB-UHFFFAOYSA-N",394236,NA,"PDBC39722","697540","Present",NA,NA
+"39723","Methyl-[2-(2-nitro-benzenesulfonyl)-phenyl]-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-[2-(2-nitro-benzenesulfonyl)-phenyl]-amine",NA,"CNC1=CC=CC=C1S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","HYNTVWNMKREYDH-UHFFFAOYSA-N",381405,NA,"PDBC39723","667950","Present",NA,NA
+"39724","Methyl-[2-methyl-2-(4-methylphenyl)propyl]-diphenylphosphanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, methyl[2-methyl-2-(4-methylphenyl)propyl]di...",NA,"CC1=CC=C(C=C1)C(C)(C)C[P+](C)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]","LSGNRXUZNBYRAO-UHFFFAOYSA-M",20835892,NA,"PDBC39724","176098","Present",NA,NA
+"39725","Methyl-[4-methyl-2-(2-nitro-benzenesulfonyl)-phenyl]-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-[4-methyl-2-(2-nitro-benzenesulfonyl)-phenyl]-amine",NA,"CC1=CC(=C(C=C1)NC)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","MIOQKLFEBBWXNP-UHFFFAOYSA-N",381406,NA,"PDBC39725","667951","Present",NA,NA
+"39726","Methyl-azatoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-azatoxin",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=C(CC4N2C(=O)OC4)C5=CC=CC=C5N3","SCLLIEKCYQJGGW-SZQRVLIRSA-N",378898,NA,"PDBC39726","662306","Present",NA,NA
+"39727","Methyl-tris(prop-2-ynyl)azanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl-tris(prop-2-ynyl)azanium;bromide",NA,"C[N+](CC#C)(CC#C)CC#C.[Br-]","ZYHKAADLOLJFSV-UHFFFAOYSA-M",361624,NA,"PDBC39727","624842","Present",NA,NA
+"39728","Methylatropine bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tropin",NA,"C[N+]1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)C.[Br-]","XMLNCADGRIEXPK-UHFFFAOYSA-M",17882,NA,"PDBC39728","61810","Present",NA,NA
+"39729","Methylbenzoprim",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4-Pyrimidinediamine, 6-ethyl-5-[4-[methyl(phenylmethyl...",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]","NUFNKYNBZYIQDG-UHFFFAOYSA-N",72438,NA,"PDBC39729","382035","Present",NA,NA
+"39730","Methylcarbamic acid (9-methoxy-11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9-Methoxy-11-methyl-6H-pyrido[4,3-b]carbazol-5-yl)methyl methylcarbamate",NA,"CC1=C2C=NC=CC2=C(C3=C1C4=C(N3)C=CC(=C4)OC)COC(=O)NC","KCKJVLUFUWEYGI-UHFFFAOYSA-N",364734,NA,"PDBC39730","631392","Present",NA,NA
+"39731","Methylcarbamic acid (9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methylcarbamic acid (9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)methyl ester",NA,"CC1=C2C=CNC(=C2C=C3C1=NC4=C3C=C(C=C4)OC)COC(=O)NC","SGVPCJPJHRAJLK-UHFFFAOYSA-N",364735,NA,"PDBC39731","631393","Present",NA,NA
+"39732","Methylcarbamic acid [1-methyl-2-(methylthio)-4-(hydroxymethyl)-1H-imidazol-5-yl]methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(Hydroxymethyl)-1-methyl-2-(methylsulfanyl)-1H-imidazol-5-yl]methyl methylcarbamate",NA,"CNC(=O)OCC1=C(N=C(N1C)SC)CO","XYUWDDWTOVFTPN-UHFFFAOYSA-N",361117,NA,"PDBC39732","623927","Present",NA,NA
+"39733","Methylcarbamic acid [1-methyl-2-(methylthio)-5-(hydroxymethyl)-1H-imidazol-4-yl]methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(Hydroxymethyl)-1-methyl-2-(methylsulfanyl)-1H-imidazol-4-yl]methyl methylcarbamate",NA,"CNC(=O)OCC1=C(N(C(=N1)SC)C)CO","JYCOUUFGQFYXBQ-UHFFFAOYSA-N",361110,NA,"PDBC39733","623919","Present",NA,NA
+"39734","Methylene bis(4-methylbenzenesulfonate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methanediol, di-p-toluenesulfonate (9ci)",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCOS(=O)(=O)C2=CC=C(C=C2)C","LEXULLPDKRNGQG-UHFFFAOYSA-N",330356,NA,"PDBC39734","318486","Present",NA,NA
+"39735","Methylene blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methylene Blue///NSC759135",NA,"CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.[Cl-]","CXKWCBBOMKCUKX-UHFFFAOYSA-M",6099,NA,"PDBC39735","617593///759135","Present",NA,NA
+"39736","Methylene dimethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mdms",NA,"CS(=O)(=O)OCOS(=O)(=O)C","IQLZWWDXNXZGPK-UHFFFAOYSA-N",9083,NA,"PDBC39736","171337","Present",NA,NA
+"39737","Methylene green",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methylene green (van)",NA,"CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C(=C3S2)[N+](=O)[O-].[Cl-]","YYGBVRCTHASBKD-UHFFFAOYSA-M",75889,NA,"PDBC39737","9403","Present",NA,NA
+"39738","Methylene violet",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methylene violet",NA,"CN(C)C1=CC2=C(C=C1)N=C3C=CC(=O)C=C3S2","ALJHHTHBYJROOG-UHFFFAOYSA-N",73024,NA,"PDBC39738","187694","Present",NA,NA
+"39739","Methylestradiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methylestradiol",NA,"CC12CCC3C(C1CCC2(C)O)CCC4=C3C=CC(=C4)O","JXQJDYXWHSVOEF-GFEQUFNTSA-N",66413,NA,"PDBC39739","52245","Present",NA,NA
+"39740","Methylhydroquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Toluhydroquinol",NA,"CC1=C(C=CC(=C1)O)O","CNHDIAIOKMXOLK-UHFFFAOYSA-N",7253,NA,"PDBC39740","4962","Present",NA,NA
+"39741","Methylmercury dicyandiamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"agrosol",NA,"C[Hg]N=C(N)NC#N","JVJUWCMBRUMDDQ-UHFFFAOYSA-N",16698637,NA,"PDBC39741","20000","Present",NA,NA
+"39742","Methylphenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cresol",NA,"CC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O.CC1=CC=CC=C1O","QTWJRLJHJPIABL-UHFFFAOYSA-N",24693,NA,"PDBC39742","21061","Present",NA,NA
+"39743","Methylprotoneodioscin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methylprotoneodioscin",NA,"CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)OC","HSSJYSJXBOCKQM-BFMTYGSCSA-N",6712586,NA,"PDBC39743","698791","Present",NA,NA
+"39744","Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyltrioctylammonium bis(trifluoromethylsulfonyl)imide",NA,"CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F","LAGQNGWYNLUQRI-UHFFFAOYSA-N",16211009,NA,"PDBC39744","747259","Present",NA,NA
+"39745","Methyltris(2-methylphenyl)phosphanium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyltris(2-methylphenyl)phosphanium bromide",NA,"CC1=CC=CC=C1[P+](C)(C2=CC=CC=C2C)C3=CC=CC=C3C.[Br-]","CXANYJTYGRIEPW-UHFFFAOYSA-M",24195677,NA,"PDBC39745","193771","Present",NA,NA
+"39746","Metoclopramide hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maxolon",NA,"CCN(CC)CCNC(=O)C1=CC(=C(C=C1OC)N)Cl.Cl","RVFUNJWWXKCWNS-UHFFFAOYSA-N",23659,NA,"PDBC39746","354467","Present",NA,NA
+"39747","Metofoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"versidyne",NA,"CN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)OC)OC","YBCPYHQFUMNOJG-UHFFFAOYSA-N",16538,NA,"PDBC39747","169889","Present",NA,NA
+"39748","Metoprine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ddmp",NA,"CC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)Cl)Cl","VQJHOPSWBGJHQS-UHFFFAOYSA-N",24466,NA,"PDBC39748","7364","Present",NA,NA
+"39749","Mexicanine E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mexicanin e",NA,"CC1CC2C(CC3C1C=CC3=O)C(=C)C(=O)O2","GQOWVFHMXITOCQ-UHFFFAOYSA-N",319598,NA,"PDBC39749","264054","Present",NA,NA
+"39750","Michellamine B diacetic acid salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MICHELLAMINE B",NA,"CC1CC2=C(C(=CC(=C2C(N1)C)O)O)C3=CC(=C(C4=C3C=C(C=C4OC)C)O)C5=C(C6=C(C=C(C=C6OC)C)C(=C5)C7=C8CC(NC(C8=C(C=C7O)O)C)C)O.CC(=O)O","IHCBLDDSPLYUGN-JPIABUGISA-N",16683588,NA,"PDBC39750","661755","Present",NA,NA
+"39751","Microcephalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Microcephalin",NA,"CC1(CCC(C2(C1CC3C(C2)OC(=O)C3=C)C)O)O","PHYFACKULSRHQU-OYFKMHTJSA-N",257281,NA,"PDBC39751","85245","Present",NA,NA
+"39752","Microcystin-LR",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Microcystin LR",NA,"CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C","ZYZCGGRZINLQBL-GWRQVWKTSA-N",445434,NA,"PDBC39752","733608","Present",NA,NA
+"39753","Microzelanicum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Microzelanicum",NA,"CC12C(OC(=O)C1O2)C3=C(C=C4C(=C3)C=CC(=O)O4)OC","OTFLUBRPYSLVCB-UHFFFAOYSA-N",359651,NA,"PDBC39753","620857","Present",NA,NA
+"39754","Miharamycin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miharamycin hydrochloride",NA,NA,NA,NA,NA,"PDBC39754","118340","Present",NA,NA
+"39755","Mikamycin, B grade",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mikamycin, B grade",NA,"CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C.CC1C=CC(=O)NCC=CC(=CC(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C","YVMBAUWDIGJRNY-RZZOLLLTSA-N",11979458,NA,"PDBC39755","125176","Present",NA,NA
+"39756","Mikanin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mikanin",NA,"CC12CC3C(C4C=C(C5C(C1O2)O5)C(=O)O4)C(=C)C(=O)O3","JRZGAAFGODYEEA-UHFFFAOYSA-N",5140086,NA,"PDBC39756","94037","Present",NA,NA
+"39757","Milademetan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"milademetan",NA,"CC1(CCC2(CC1)C3(C(C(N2)C(=O)NC4CCC(OC4)C(=O)N)C5=C(C(=NC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O)C","RYAYYVTWKAOAJF-QISPRATLSA-N",73297272,NA,"PDBC39757","800893","Present",NA,NA
+"39758","Miliusane A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miliusane A",NA,"CC(=CCCC(=CC1C2(CC(C=CC2=O)O)CC(=O)O1)C)C","LZYGZWJAFQLDDH-IZHUOMKQSA-N",24204084,NA,"PDBC39758","730563","Present",NA,NA
+"39759","Miliusane B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miliusane B",NA,"CC(=CCCC(=CC1C2(CC(C(CC2=O)OC)O)CC(=O)O1)C)C","RNXGMPDMYPADJI-IMGGVRDPSA-N",24204085,NA,"PDBC39759","730564","Present",NA,NA
+"39760","Miliusate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miliusate",NA,"CC(=CCCC(=CC1C2(CC(C=CC2=O)OC(=O)C)CC(=O)O1)C)C","PXCPYWFVMWHLIE-VFDYJAQGSA-N",24204086,NA,"PDBC39760","730565","Present",NA,NA
+"39761","Milling Red G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"milling red g",NA,"C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)SC4=CC=C(C=C4)N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)O)O","WFRSJMGBYITKEB-UHFFFAOYSA-N",415836,NA,"PDBC39761","73416","Present",NA,NA
+"39762","Milodistim",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Milodistim",NA,NA,NA,NA,NA,"PDBC39762","645014","Present",NA,NA
+"39763","Miltefosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"miltefosin c///MILTEFOSINE",NA,"CCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C","PQLXHQMOHUQAKB-UHFFFAOYSA-N",3599,NA,"PDBC39763","605583///758968","Present",NA,NA
+"39764","Miltirone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Miltirone",NA,"CC(C)C1=CC2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O","FEFAIBOZOKSLJR-UHFFFAOYSA-N",160142,NA,"PDBC39764","639662","Present",NA,NA
+"39765","Mimbane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mimbane (usan)",NA,"CN1C2=CC=CC=C2C3=C1C4CC5CCCCC5CN4CC3","SNMPZBCEJSLAEK-DOXZYTNZSA-N",253676,NA,"PDBC39765","76808","Present",NA,NA
+"39766","Mimdtc",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mimdtc",NA,"CSC(=S)NN=CC1=NC=CC2=CC=CC=C21","LNZQMYBCXYTKMH-RIYZIHGNSA-N",9554742,NA,"PDBC39766","614795","Present",NA,NA
+"39767","Mimini",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mimini",NA,"CC1=C(ON=C1)NC2=CC(=NC3=C(C=NO3)C)C4=CC=CC=C4C2=O","CKGLNAAYTQCTQK-KGENOOAVSA-N",9571374,NA,"PDBC39767","649749","Present",NA,NA
+"39768","Mimuscopic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mimuscopic acid",NA,"CC1(CCC2(CCC3(C(=CCC4=C5CC(C(C(C5(CCC43C)C)(C)CO)O)O)C2C1)C)C(=O)O)C","LCZNLGJYHVTTAT-RALSZBTISA-N",6712545,NA,"PDBC39768","696122","Present",NA,NA
+"39769","Mimusopside A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mimusopside A",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C3CC(CC4C3(CCC5(C4=CCC6C5(CC(C7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)O)C)C)C)(C)C)O)O)O)O)O","AVDGYJJCYUXZBP-SNPXSKCESA-N",390755,NA,"PDBC39769","688512","Present",NA,NA
+"39770","Mimusopside B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mimusopside B",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C3CC(CC4C3C(CC5(C4=CCC6C5(CC(C7C6(CC(C(C7(C)CO)OC8C(C(C(C(O8)CO)O)O)O)O)C)O)C)C)O)(C)C)O)O)O)O)O","YZSHNISTCVUURM-ZGXDDMQTSA-N",390756,NA,"PDBC39770","688513","Present",NA,NA
+"39771","Minumicrolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Minumicrolin",NA,"CC(=C)C(C(C1=C(C=CC2=C1OC(=O)C=C2)OC)O)O","DKEANOQWICTXTP-UHFFFAOYSA-N",389002,NA,"PDBC39771","684434","Present",NA,NA
+"39772","Minwanensin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Minwanensin",NA,"CC1CC(C2(C13CC(C(C2(C)CO)C)OC(=O)C3)O)O","ZOGSYYGIIXOAJT-NCSTXBNDSA-N",380749,NA,"PDBC39772","666456","Present",NA,NA
+"39773","Miransertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARQ-092",NA,"C1CC(C1)(C2=CC=C(C=C2)N3C4=C(C=CC(=N4)C5=CC=CC=C5)N=C3C6=C(N=CC=C6)N)N","HNFMVVHMKGFCMB-UHFFFAOYSA-N",53262401,NA,"PDBC39773","791328","Present",NA,NA
+"39774","Miripirium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quatresin",NA,"CCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C.[Cl-]","ZCTSINFCZHUVLI-UHFFFAOYSA-M",17671,NA,"PDBC39774","36338","Present",NA,NA
+"39775","Misonidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MISONIDAZOLE",NA,"COCC(CN1C=CN=C1[N+](=O)[O-])O","OBBCSXFCDPPXOL-UHFFFAOYSA-N",26105,NA,"PDBC39775","261037","Present",NA,NA
+"39776","Mitaplatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mitaplatin",NA,NA,NA,NA,NA,"PDBC39776","748643","Present",NA,NA
+"39777","Mito-Chromanol Acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mito-Chromanol Acetate",NA,"CC1=C(C(=C(C2=C1OC(CC2)(C)CC(=O)OCCCCCCCCCCC[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C)OC(=O)C)C","KSKVHWLBKCHCJK-UHFFFAOYSA-N",155811514,NA,"PDBC39777","774816","Present",NA,NA
+"39778","Mito-MB1-31",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mito-MB1-31",NA,"C1=CC2=C(C=C1C(F)(F)F)SC(=N2)NC(=O)C3=C(C=CC(=C3)Cl)O","XAKYXCGMIMAZNW-UHFFFAOYSA-N",121352660,NA,"PDBC39778","791172","Present",NA,NA
+"39779","Mito-tempol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mito-tempol",NA,"CC1(CC(CC(N1O)(C)C)OCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]","AIQMYWZQFQQTIQ-UHFFFAOYSA-M",54613387,NA,"PDBC39779","747162","Present",NA,NA
+"39780","Mitoclomine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mitoclomine",NA,"CC1=C(C2=CC=CC=C2C(=C1)N(CCCl)CCCl)OC","CLZXREZAEIUCGG-UHFFFAOYSA-N",28694,NA,"PDBC39780","114575","Present",NA,NA
+"39781","Mitoflaxone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FLAVONE ACETIC ACID",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC(=C3O2)CC(=O)O","TZZNWMJZDWYJAZ-UHFFFAOYSA-N",55748,NA,"PDBC39781","347512","Present",NA,NA
+"39782","Mitomycin C methylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MITOMYCIN C,METHYLAMINE FR. STREPTOMYCES CAESPITOSUS",NA,"CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4)NC","QMWMHVONMWSXDM-UHFFFAOYSA-N",213803,NA,"PDBC39782","329086","Present",NA,NA
+"39783","Mitomycin deriv T-73",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"t 73",NA,"CCCNC1=C(C(=O)C2=C(C1=O)C(C3(N2CC4C3N4)OC)COC(=O)N)C","MFUIQIIDSGSITA-XIVHWCCNSA-N",275965,NA,"PDBC39783","123115","Present",NA,NA
+"39784","Mitonafide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[de]isoquinoline-1,3(2H)-dione, 2-[2-(dimethylami...",NA,"CN(C)CCN1C(=O)C2=CC=CC3=CC(=CC(=C32)C1=O)[N+](=O)[O-]","XXVLKDRPHSFIIB-UHFFFAOYSA-N",327044,NA,"PDBC39784","300288","Present",NA,NA
+"39785","Mitopodozide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sp i",NA,"CCNNC(=O)C1C(C(C2=CC3=C(C=C2C1C4=CC(=C(C(=C4)OC)OC)OC)OCO3)O)CO","CPTIBDHUFVHUJK-NZYDNVMFSA-N",251643,NA,"PDBC39785","72274","Present",NA,NA
+"39786","Mitorubrinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mitorubrinic acid",NA,"CC1=CC(=CC(=C1C(=O)OC2(C(=O)C=C3C=C(OC=C3C2=O)C=CC(=O)O)C)O)O","ZJIWQCFXEQSFGR-YEFOHOTDSA-N",5468104,NA,"PDBC39786","664212","Present",NA,NA
+"39787","Mitozolomide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC353451",NA,"C1=NC(=C2N1C(=O)N(N=N2)CCCl)C(=O)N","QXYYYPFGTSJXNS-UHFFFAOYSA-N",71766,NA,"PDBC39787","353451","Present",NA,NA
+"39788","Miuraenamide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"miuraenamide A",NA,"CC1CCC(=CCCCC(=O)NC(C(=O)N(C(C(=O)NC(=C(C2=CC=CC=C2)OC)C(=O)O1)CC3=CC(=C(C=C3)O)Br)C)C)C","LOOHMHDNJMUEAT-SFHJFPFYSA-N",16080416,NA,"PDBC39788","744763","Present",NA,NA
+"39789","Mival",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mival",NA,"C1CO[Si]2(OCCN1CCO2)CCl","METVSRFIOHSNJX-UHFFFAOYSA-N",362521,NA,"PDBC39789","626545","Present",NA,NA
+"39790","Mivavotinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791967///NSC791968",NA,"CN1C=C(C=N1)C2=NC(=C(C3=C2C(=O)NC3)F)NC4CCCCC4N","MJHOMTRKVMKCNE-NWDGAFQWSA-N",53252276,NA,"PDBC39790","791967///791968","Present",NA,NA
+"39791","Mivebresib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ABBV-075",NA,"CCS(=O)(=O)NC1=CC(=C(C=C1)OC2=C(C=C(C=C2)F)F)C3=CN(C(=O)C4=C3C=CN4)C","RDONXGFGWSSFMY-UHFFFAOYSA-N",71600087,NA,"PDBC39791","793103","Present",NA,NA
+"39792","Mivobulin isethionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mivobulin isethionate",NA,"CCOC(=O)NC1=NC(=C2C(=C1)NC(C(=N2)C3=CC=CC=C3)C)N.C(CS(=O)(=O)O)O","JEFPWOBULVSOTM-PPHPATTJSA-N",182762,NA,"PDBC39792","635370","Present",NA,NA
+"39793","Mixture of 9 Chinese herbs",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mixture of 9 Chinese herbs",NA,NA,NA,NA,NA,"PDBC39793","640750","Present",NA,NA
+"39794","Mixture of Cylindricine A and Cylindricine B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mixture of Cylindricine A and Cylindricine B",NA,"CCCCCCC1CC(=O)C2CCCCC23N1CC(C3)Cl.CCCCCCC1CC(=O)C2CCCCC23N1C(CC3)CCl","LGAIWSZTSUGXDE-WWUKHNHRSA-N",381027,NA,"PDBC39794","667050","Present",NA,NA
+"39795","Mixture of Septacidins(90%) with varying length fatty ac...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mixture of Septacidins(90%) with varying length fatty ac...",NA,NA,NA,NA,NA,"PDBC39795","694252","Present",NA,NA
+"39796","Mixture of Specioside A & B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mixture of Specioside A & B",NA,"C1C(C(=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)C4=CC=C(C=C4)O)O.C1C(C(=CC(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)OC4C(C(C(C(O4)CO)O)O)O","AUXBIANTKGGJDG-KESAZARESA-N",5466956,NA,"PDBC39796","645993","Present",NA,NA
+"39797","Mmp inhibitor II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MMP Inhibitor II",NA,"CC1(CN(C(N(C1)S(=O)(=O)C2=CC=C(C=C2)OC)C(=O)NO)S(=O)(=O)C3=CC=C(C=C3)OC)C","MCSWSPNUKWMZHM-UHFFFAOYSA-N",4218,NA,"PDBC39797","727630","Present",NA,NA
+"39798","Mmp inhibitor III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MMP Inhibitor III",NA,"CC(C)CC(CC(=O)NO)C(=O)NC(CCC1=CC=CC=C1)C(=O)NC","FQRZOEBSTPAQBJ-UHFFFAOYSA-N",4219,NA,"PDBC39798","727631","Present",NA,NA
+"39799","Mmp-2/mmp-9 inhibitor II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MMP-2/MMP-9 Inhibitor II",NA,"C1=CC=C(C=C1)CC(C(=O)NO)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3","UPCAIRKRFXQRRM-HXUWFJFHSA-N",9822095,NA,"PDBC39799","727634","Present",NA,NA
+"39800","Mmp-2/mmp-9 inhibitor i",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MMP-2/MMP-9 Inhibitor I",NA,"C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3","JBYHBQIDTNHWJF-HXUWFJFHSA-N",10667540,NA,"PDBC39800","727633","Present",NA,NA
+"39801","Mn(II) 3,5-diiodosalicylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mn(II) 3,5-diiodosalicylate",NA,"C1=C(C=C(C(=C1C(=O)[O-])[OH2+])I)I.C1=C(C=C(C(=C1C(=O)[O-])[OH2+])I)I.[Mn+2]","XCXVDWIXRGHXQR-UHFFFAOYSA-N",54608654,NA,"PDBC39801","619907","Present",NA,NA
+"39802","Mniopetal E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mniopetal E",NA,"CC1(CC(C(C23C1CC=C(C2C(OC3=O)O)C=O)O)O)C","FCQQCKZJCMQQPN-DKCZEEBHSA-N",385565,NA,"PDBC39802","676839","Present",NA,NA
+"39803","Mnitmt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mnitmt",NA,"CN1C=NC(=C1SC2=NN=CN2C)[N+](=O)[O-]","NMBDIMPYACLUDE-UHFFFAOYSA-N",364622,NA,"PDBC39803","631156","Present",NA,NA
+"39804","Mobocertinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mobocertinib",NA,"CC(C)OC(=O)C1=CN=C(N=C1C2=CN(C3=CC=CC=C32)C)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC","AZSRSNUQCUDCGG-UHFFFAOYSA-N",118607832,NA,"PDBC39804","825519","Present",NA,NA
+"39805","Mollugogenol-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mollugogenol-A",NA,"CC1(C(CCC2(C1C(CC3(C2CCC4C3(CC(C5C4(CCC5C(C)(C)O)C)O)C)C)O)C)O)C","USLXSBTYECTZSS-PJOSVWSESA-N",368560,NA,"PDBC39805","639634","Present",NA,NA
+"39806","Mollugogenol-A glycoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mollugogenol-A glycoside",NA,NA,NA,NA,NA,"PDBC39806","639635","Present",NA,NA
+"39807","Molybdate(6-), hexatriaconta-.mu.-oxooctadecaoxobis[.mu....",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Molybdate(6-), hexatriaconta-.mu.-oxooctadecaoxobis[.mu....",NA,NA,NA,NA,NA,"PDBC39807","622124","Present",NA,NA
+"39808","Mongolicain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mongolicain",NA,"C1C(C(OC2=C1C(=CC3=C2C4C5C6C7C(COC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O7)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C(=C1O)O)O)C1=C(C(=O)C4(C1C(=O)O5)O3)O)C(=O)O6)O)O)O)O)C1=CC(=C(C=C1)O)O)O","GCVPUYDXNUQSNY-XJFXALPKSA-N",16132415,NA,"PDBC39808","676822","Present",NA,NA
+"39809","Moniliformin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MONILIFORMIN",NA,"C1=C(C(=O)C1=O)O","KGPQKNJSZNXOPV-UHFFFAOYSA-N",40452,NA,"PDBC39809","292896","Present",NA,NA
+"39810","Monoacetyl verrucarin A epoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Monoacetyl verrucarin A epoxide",NA,"CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C1OC(=O)C)C)CO4","JDFKYDYICWYZMF-KQQUZDAGSA-N",5477096,NA,"PDBC39810","292463","Present",NA,NA
+"39811","Monoanhydride with sulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"coralyne sulfoacetate",NA,"CC1=C2C=C(C(=CC2=CC3=[N+]1C=CC4=CC(=C(C=C43)OC)OC)OC)OC.C(C(=O)[O-])S(=O)(=O)O","KRPNDEFBHRAWPW-UHFFFAOYSA-M",5351242,NA,"PDBC39811","154890","Present",NA,NA
+"39812","Monocrotalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"monocrotalin",NA,"CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)O)(C)O","QVCMHGGNRFRMAD-RKWGGURWSA-N",231893,NA,"PDBC39812","28693","Present",NA,NA
+"39813","Monocrotaline N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"monocrotaline n-oxide",NA,"CC1C(=O)OC2CC[N+]3(C2C(=CC3)COC(=O)C(C1(C)O)(C)O)[O-]","LHVAZUAALQTANZ-UHFFFAOYSA-N",197173,NA,"PDBC39813","108378","Present",NA,NA
+"39814","Monoethanolamine-germane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Monoethanolamine-germane",NA,NA,NA,NA,NA,"PDBC39814","638259","Present",NA,NA
+"39815","Monoethylbenzalmalonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Monoethylbenzalmalonate",NA,"CCOC(=O)C(=CC1=CC=CC=C1)C(=O)O","BHKULYKFSYZBQR-NTMALXAHSA-N",643851,NA,"PDBC39815","643763","Present",NA,NA
+"39816","Monomethyl auristatin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791792",NA,"CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC","DASWEROEPLKSEI-UIJRFTGLSA-N",11542188,NA,"PDBC39816","791792","Present",NA,NA
+"39817","Monosodium rifamycin SV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rifocin",NA,"CC1C=CC=C(C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C.[Na+]","YVOFSHPIJOYKSH-JTHRCLANSA-N",54598449,NA,"PDBC39817","133100","Present",NA,NA
+"39818","Mordant black 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chrome black s",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-])O.[Na+]","DXRWYIKGBIPGAG-UHFFFAOYSA-N",135534311,NA,"PDBC39818","73413","Present",NA,NA
+"39819","Morindaparvin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Morindaparvin A",NA,"C1OC2=C(O1)C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","YBXYYSSRAZPEGN-UHFFFAOYSA-N",73072,NA,"PDBC39819","363177","Present",NA,NA
+"39820","Morpholine, 4,4'-(hexahydro-2,6,3,5-ethanediylidene-2H-pentaleno(1,6-bc)furan-2,6a(2aH)-diyl)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Morpholine, 4,4'-(hexahydro-2,6,3,5-ethanediylidene-2H-p...",NA,"C1COCCN1C23C4C5CC6C4C(O2)(C7C6C5C37)N8CCOCC8","PAVVWRIOHJQCFS-UHFFFAOYSA-N",385832,NA,"PDBC39820","677229","Present",NA,NA
+"39821","Morpholine,4'-(3,4-dichloro-2,4-dinitro-1,3-butadiene-1,1-diyl)bis-, (1E,3E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Morpholine, 4,4'-(3,4-dichloro-2,4-dinitro-1,3-butadiene...",NA,"C1COCCN1C(=C(C(=C([N+](=O)[O-])Cl)Cl)[N+](=O)[O-])N2CCOCC2","SIZGHGKKZYNVSN-LUAWRHEFSA-N",1618703,NA,"PDBC39821","698395","Present",NA,NA
+"39822","Morpholine-N-dithiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Morpholine-N-dithiocarbamate",NA,"C1COCCN1.C1COCCN1C(=S)S","MQYWTQLRFOFUSI-UHFFFAOYSA-N",72675,NA,"PDBC39822","4114","Present",NA,NA
+"39823","Morpholine-cyclohexenamine Nitric Oxide Adduct",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Morpholine-cyclohexenamine Nitric Oxide Adduct",NA,"C1CCC(=[N+]2CCOCC2)C(C1)[N+](=N[O-])[O-]","QXEWUFPSBCUREC-ACCUITESSA-N",135510115,NA,"PDBC39823","634221","Present",NA,NA
+"39824","Morpholinoadriamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Morpholinodoxorubicin",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N6CCOCC6)O.Cl","INAUWOVKEZHHDM-PYBHCKQVSA-N",24200030,NA,"PDBC39824","354646","Present",NA,NA
+"39825","Morphothebaine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Morphothebaine, hydrochloride",NA,"CN1CCC2=C3C1CC4=C(C3=CC(=C2)O)C(=C(C=C4)OC)O.Cl","PKNXICFDFBSZMX-PFEQFJNWSA-N",54603819,NA,"PDBC39825","43486","Present",NA,NA
+"39826","Motexafin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Motexafin",NA,NA,NA,NA,NA,"PDBC39826","761266","Present",NA,NA
+"39827","Motolimod",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VTX-2337",NA,"CCCN(CCC)C(=O)C1=CC2=C(C=C(C=C2)C3=CC=C(C=C3)C(=O)N4CCCC4)N=C(C1)N","QSPOQCXMGPDIHI-UHFFFAOYSA-N",16049404,NA,"PDBC39827","777447","Present",NA,NA
+"39828","Moxisylyte hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Moxisylyte hydrochloride",NA,"CC1=CC(=C(C=C1OC(=O)C)C(C)C)OCCN(C)C.Cl","IPWGSXZCDPTDEH-UHFFFAOYSA-N",6420039,NA,"PDBC39828","170448","Present",NA,NA
+"39829","Mpc-3100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MPC-3100",NA,"CC(C(=O)N1CCC(CC1)CCN2C3=NC=NC(=C3N=C2SC4=C(C=C5C(=C4)OCO5)Br)N)O","CVBWTNHDKVVFMI-LBPRGKRZSA-N",57336747,NA,"PDBC39829","765395","Present",NA,NA
+"39830","Mth-DL-aspartic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mth-DL-aspartic acid",NA,"CN1C(=O)C(NC1=S)CC(=O)O","GRCYIUAJHMPVEH-UHFFFAOYSA-N",3849003,NA,"PDBC39830","610933","Present",NA,NA
+"39831","Mtor inhibitor-7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PQR-626",NA,"CC1COCCN1C2=NC(=NC(=N2)C3=CN=C(C=C3C(F)F)N)N4C(COCC4C)C","YXQKBQLVKBUCLZ-UPJWGTAASA-N",121334440,NA,"PDBC39831","828318","Present",NA,NA
+"39832","Mucocin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mucocin",NA,"CCCCCCCCCCC1C(CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O","PIKSSLVYUFERQJ-TZMMOZJRSA-N",393474,NA,"PDBC39832","695407","Present",NA,NA
+"39833","Mucofluid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mesna",NA,"C(CS(=O)(=O)O)S.[Na+]","XOGTZOOQQBDUSI-UHFFFAOYSA-N",20545680,NA,"PDBC39833","113891","Present",NA,NA
+"39834","Multistatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Multistatin",NA,"CC=C(C)C(=O)OC1C2C(C(=O)C(C3C1(C(=O)C=C3)C)C)OC(=O)C2=C","YPIMMVOHCVOXKT-CXMZHGGDSA-N",5319944,NA,"PDBC39834","280414","Present",NA,NA
+"39835","Munitagine, (-)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Munitagine, (-)-",NA,"CN1C2CC3=C(C1CC4=CC(=C(C=C24)O)OC)C(=C(C=C3)OC)O","PLGXEPHZCXBYLP-UHFFFAOYSA-N",288123,NA,"PDBC39835","148828","Present",NA,NA
+"39836","Muramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"muramine",NA,"CN1CCC2=CC(=C(C=C2C(=O)CC3=C(C1)C(=C(C=C3)OC)OC)OC)OC","HUIJAZQRYSCNED-UHFFFAOYSA-N",288122,NA,"PDBC39836","148827","Present",NA,NA
+"39837","Murexine hydroxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"murexine hydroxide",NA,"C[N+](C)(C)CCOC(=O)C=CC1=CN=CN1.[OH-]","WAUIMFPHUPDWIR-UHFFFAOYSA-N",5458496,NA,"PDBC39837","257903","Present",NA,NA
+"39838","Muricatin methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"muricatin-me-ester",NA,"CC1C(CC2C1C3C(C(CC2=C)OC(=O)C(=C)CO)C(=C)C(=O)O3)O.CO","IWMCOBGYEMBVSB-UHFFFAOYSA-N",324971,NA,"PDBC39838","292211","Present",NA,NA
+"39839","Murrayaline B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Murrayaline B",NA,"CC1=CC2=C(C=C1O)NC3=C2C=CC(=C3C=O)OC","QEHQROIDNXGBER-UHFFFAOYSA-N",375154,NA,"PDBC39839","654288","Present",NA,NA
+"39840","Murrayaquinone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Murrayaquinone A",NA,"CC1=CC(=O)C2=C(C1=O)C3=CC=CC=C3N2","XJTABSPWPMYLQX-UHFFFAOYSA-N",127481,NA,"PDBC39840","654274","Present",NA,NA
+"39841","Murrayaquinone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Murrayaquinone B",NA,"CC1=CC(=O)C2=C(C1=O)C3=C(N2)C(=C(C=C3)OC)CC=C(C)C","OGAOEVNTXBSKER-UHFFFAOYSA-N",375141,NA,"PDBC39841","654275","Present",NA,NA
+"39842","Muscimol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"musc",NA,NA,"C1=C(ONC1=O)CN","ZJQHPWUVQPJPQT-UHFFFAOYSA-N",4266,NA,"PDBC39842",NA,"Absent",NA,NA
+"39843","Musennin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Musennin",NA,"CC1(CCC2(C(C1)C3=CCC4C5(CCC(C(C5CCC4(C3(CC2O)C)C)(C)C)OC6C(C(C(CO6)O)O)OC7C(C(C(CO7)O)O)OC8C(C(C(CO8)O)OC9C(C(C(C(O9)CO)O)O)O)O)C)C(=O)O)C","ZMEIKTTXONUYNX-UHFFFAOYSA-N",267361,NA,"PDBC39843","106554","Present",NA,NA
+"39844","Mycosinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mycosinol",NA,"CC#CC#CC=C1C=CC2(O1)C(C=CO2)O","FZRGCIPZQGXDCM-IZZDOVSWSA-N",5281153,NA,"PDBC39844","653382","Present",NA,NA
+"39845","Mycothiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mycothiazole",NA,"CC(C)(C1=NC(=CS1)CC=CCC=C)C(CC=CC(=C)CCNC(=O)OC)O","WOVFSYAJXQSJES-BNFZFUHLSA-N",5926799,NA,"PDBC39845","647640","Present",NA,NA
+"39846","Mycotoxin HT 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"toxin ht2",NA,"CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)O)C)COC(=O)C","PNKLMTPXERFKEN-ZIOSACBISA-N",322238,NA,"PDBC39846","278571","Present",NA,NA
+"39847","Myelobromol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC104800///Dibromodulcitol",NA,"C(C(C(C(C(CBr)O)O)O)O)Br","VFKZTMPDYBFSTM-UHFFFAOYSA-N",4208,NA,"PDBC39847","104800///616232","Present",NA,NA
+"39848","Myli-4(15)-en-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"myli-4(15)-en-9-one",NA,"CC1(C2C1C34C(C3(C(=O)C2)C)CCC4=C)C","HKUMSCVSDLYTMZ-DHGZTZOCSA-N",5471035,NA,"PDBC39848","707627","Present",NA,NA
+"39849","Mylnqtfufymusq-uhfffaoysa-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dihydro-3-spiro(1-benzylpiperidin-4-yl)-5H-imidazo[2...",NA,"C1CN(CCC12N3CCN=C3NO2)CC4=CC=CC=C4","MYLNQTFUFYMUSQ-UHFFFAOYSA-N",11108479,NA,"PDBC39849","727193","Present",NA,NA
+"39850","Myricetin 3-rhamnoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"myricitrin",NA,"CC1C(C(C(C(O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O","DCYOADKBABEMIQ-UHFFFAOYSA-N",5352000,NA,"PDBC39850","19803","Present",NA,NA
+"39851","Myricoidine Picrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Myricoidine Picrate",NA,"CCC=CCC=CC1CC(=O)NCCCNCCCCN1","LUOMCXKCIGOCHI-YVCTXXAJSA-N",5387595,NA,"PDBC39851","625008","Present",NA,NA
+"39852","Myristoyl tetrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Myristoyl tetrazole",NA,"CCCCCCCCCCCCCC1=NNN=N1","RTWHYWRWPCJLMG-UHFFFAOYSA-N",363886,NA,"PDBC39852","629265","Present",NA,NA
+"39853","Mystixin-11",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mystixin-11",NA,"CCC(C)C(C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CC1=CC=CS1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CC(C)C)N","CUCWTWFWSPINNC-OISXETIVSA-N",6712629,NA,"PDBC39853","701996","Present",NA,NA
+"39854","Mystixin-7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mystixin-7",NA,"CCC(C)C(C(=O)NC(CC(C)C)C(=O)N)NC(=O)C(CC1=CC=CS1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C2=CC=C(C=C2)OC","QNBRJIXGUZPOKD-UHFFFAOYSA-N",3959620,NA,"PDBC39854","701997","Present",NA,NA
+"39855","N 4-(2-Phenylbenzothiazole),N'(amino propan-3-ole)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N 4-(2-Phenylbenzothiazole),N'(amino propan-3-ole)thiourea",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NCCCO","XBGDYUGIPNJHBP-UHFFFAOYSA-N",24202661,NA,"PDBC39855","725673","Present",NA,NA
+"39856","N 4-(2-Phenylbenzothiazole),N'(p-chlorophenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N 4-(2-Phenylbenzothiazole),N'(p-chlorophenyl)thiourea",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl","SVDMFZXSRALRAJ-UHFFFAOYSA-N",24202662,NA,"PDBC39856","725674","Present",NA,NA
+"39857","N''-(1-Benzyl-3-(dimethylamino)-2-phenylpropylidene)thiocarbonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Amino-3-[(Z)-[1-benzyl-3-(dimethylamino)-2-phenyl-propylidene]amino]thiourea",NA,"CN(C)CC(C1=CC=CC=C1)C(=NNC(=S)NN)CC2=CC=CC=C2","WRKAJEFZCXGQOX-PYCFMQQDSA-N",6165840,NA,"PDBC39857","641819","Present",NA,NA
+"39858","N''-(2-Amino-1,2-dicyanovinyl)-N'-(1-methylethylidene)imidoformic hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N''-(2-Amino-1,2-dicyanovinyl)-N'-(1-methylethylidene)imidoformic hydrazide",NA,"CC(=NNC=NC(=C(C#N)N)C#N)C","PWYCAGLMGKFSQB-FPLPWBNLSA-N",3004651,NA,"PDBC39858","659338","Present",NA,NA
+"39859","N''-Cyano-N,N'-bis(2-hydroxyethyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyano-2,3-bis(2-hydroxyethyl)guanidine",NA,"C(CO)NC(=NCCO)NC#N","TWFHGNBCFMEVIV-UHFFFAOYSA-N",370393,NA,"PDBC39859","643487","Present",NA,NA
+"39860","N''-Hydroxy-2-phenylethanehydrazonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Amino-N'-(hydroxyamino)-2-phenyl-acetamidine",NA,"C1=CC=C(C=C1)CC(=NN)NNO","LZQXHDXKMNMJCO-UHFFFAOYSA-N",5878751,NA,"PDBC39860","647080","Present",NA,NA
+"39861","N''-[(1Z,2E)-1,3-Bis(4-chlorophenyl)but-2-en-1-ylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-[(E)-1,3-Bis(4-chlorophenyl)but-2-enylidene]amino]guanidine;hydrochloride",NA,"CC(=CC(=NN=C(N)N)C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl.Cl","QTCLZZDTCCPKOA-ZEJDMSDLSA-N",54602148,NA,"PDBC39861","305762","Present",NA,NA
+"39862","N''-[(E)-(3,5-Dichloro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-5-methyl-3-phenyl-4-isoxazolecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3,5-Dichloro-2-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide",NA,"CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NN=CC3=C(C(=CC(=C3)Cl)Cl)O","MKOPGRMSHHCCTE-ZVBGSRNCSA-N",135452579,NA,"PDBC39862","328090","Present",NA,NA
+"39863","N''-[(E)-([1,1'-Biphenyl]-4-yl)methylidene]-N-nitrocarbonohydrazonic diamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Nitro-2-[(E)-(4-phenylphenyl)methylideneamino]guanidine",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C=NN=C(N)N[N+](=O)[O-]","NNQOUGSRYAOXIV-MHWRWJLKSA-N",24189043,NA,"PDBC39863","82655","Present",NA,NA
+"39864","N''-[(Z)-(2-Fluorophenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-[(2-Fluorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride",NA,"C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=CC=C2F.Cl","XMTIMTSDEBFEKX-AAKIMCHBSA-N",54608243,NA,"PDBC39864","67477","Present",NA,NA
+"39865","N''-[(Z)-(4-Fluorophenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanidine, [(p-fluoro-.alpha.-phenylbenzylidene)amino]-,...",NA,"C1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=C(C=C2)F.Cl","VZWIGDGBBNXWOI-AAKIMCHBSA-N",54599426,NA,"PDBC39865","68088","Present",NA,NA
+"39866","N''-[(Z)-(4-Methylphenyl)(phenyl)methylidene]carbonohydrazonic diamide--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(Z)-[(4-Methylphenyl)-phenylmethylidene]amino]guanidine;hydrochloride",NA,"CC1=CC=C(C=C1)C(=NN=C(N)N)C2=CC=CC=C2.Cl","YTWGXMAKSLJSRZ-NYAKATHWSA-N",54603621,NA,"PDBC39866","67478","Present",NA,NA
+"39867","N',2-Bis(2,3-dimethylphenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(2,3-dimethylphenyl)diazenecarbohydrazide",NA,"CC1=C(C(=CC=C1)NNC(=O)N=NC2=CC=CC(=C2C)C)C","MYDVWQBOZMNHAC-UHFFFAOYSA-N",383229,NA,"PDBC39867","671344","Present",NA,NA
+"39868","N',2-Bis(2,4-bis(hydroxy(oxido)amino)phenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(2,4-bis(hydroxy(oxido)amino)phenyl)diazenecarbohydrazide",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NNC(=O)N=NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","MAXMLWFOSLPBHM-UHFFFAOYSA-N",5122708,NA,"PDBC39868","671337","Present",NA,NA
+"39869","N',2-Bis(2,4-dichlorophenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,5-di(2,4-dichlorophenyl)carbazone",NA,"C1=CC(=C(C=C1Cl)Cl)NNC(=O)N=NC2=C(C=C(C=C2)Cl)Cl","DNKSUAOJBACASX-UHFFFAOYSA-N",383226,NA,"PDBC39869","671341","Present",NA,NA
+"39870","N',2-Bis(2,5-dichlorophenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(2,5-dichlorophenyl)diazenecarbohydrazide",NA,"C1=CC(=C(C=C1Cl)NNC(=O)N=NC2=C(C=CC(=C2)Cl)Cl)Cl","GWJVRRDKWIKVOO-UHFFFAOYSA-N",383231,NA,"PDBC39870","671346","Present",NA,NA
+"39871","N',2-Bis(2-bromo-4-methylphenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(2-bromo-4-methylphenyl)diazenecarbohydrazide",NA,"CC1=CC(=C(C=C1)NNC(=O)N=NC2=C(C=C(C=C2)C)Br)Br","VJHPYEBEVMZZJT-UHFFFAOYSA-N",383217,NA,"PDBC39871","671332","Present",NA,NA
+"39872","N',2-Bis(2-bromophenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(2-bromophenyl)diazenecarbohydrazide",NA,"C1=CC=C(C(=C1)NNC(=O)N=NC2=CC=CC=C2Br)Br","AJASNKMNMURWOG-UHFFFAOYSA-N",383227,NA,"PDBC39872","671342","Present",NA,NA
+"39873","N',2-Bis(2-chlorophenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(2-chlorophenyl)diazenecarbohydrazide",NA,"C1=CC=C(C(=C1)NNC(=O)N=NC2=CC=CC=C2Cl)Cl","OWJCFKXXPSKMEY-UHFFFAOYSA-N",383224,NA,"PDBC39873","671339","Present",NA,NA
+"39874","N',2-Bis(2-ethylphenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(2-ethylphenyl)diazenecarbohydrazide",NA,"CCC1=CC=CC=C1NNC(=O)N=NC2=CC=CC=C2CC","LXLHPCCZZSVGIA-UHFFFAOYSA-N",383219,NA,"PDBC39874","671334","Present",NA,NA
+"39875","N',2-Bis(3-(hydroxy(oxido)amino)-4-methylphenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(3-(hydroxy(oxido)amino)-4-methylphenyl)diazenecarbohydrazide",NA,"CC1=C(C=C(C=C1)NNC(=O)N=NC2=CC(=C(C=C2)C)[N+](=O)[O-])[N+](=O)[O-]","VLVMHJRTEMHZIN-UHFFFAOYSA-N",4272127,NA,"PDBC39875","671336","Present",NA,NA
+"39876","N',2-Bis(3-chloro-2-methylphenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(3-chloro-2-methylphenyl)diazenecarbohydrazide",NA,"CC1=C(C=CC=C1Cl)NNC(=O)N=NC2=C(C(=CC=C2)Cl)C","LZVBKJVROQJPHZ-UHFFFAOYSA-N",383223,NA,"PDBC39876","671338","Present",NA,NA
+"39877","N',2-Bis(3-chlorophenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[(3-chlorophenyl)amino]-1-(3-chlorophenyl)imino-urea",NA,"C1=CC(=CC(=C1)Cl)NNC(=O)N=NC2=CC(=CC=C2)Cl","RIOKDISWXYIHCQ-UHFFFAOYSA-N",383228,NA,"PDBC39877","671343","Present",NA,NA
+"39878","N',2-Bis(4-(hydroxy(oxido)amino)-2-methylphenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(4-(hydroxy(oxido)amino)-2-methylphenyl)diazenecarbohydrazide",NA,"CC1=C(C=CC(=C1)[N+](=O)[O-])NNC(=O)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C","QULYQBKLIJCBJX-UHFFFAOYSA-N",3591207,NA,"PDBC39878","671335","Present",NA,NA
+"39879","N',2-Bis(4-(hydroxy(oxido)amino)phenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(4-(hydroxy(oxido)amino)phenyl)diazenecarbohydrazide",NA,"C1=CC(=CC=C1NNC(=O)N=NC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","BXHXDHQLTNPQEU-UHFFFAOYSA-N",3768780,NA,"PDBC39879","671333","Present",NA,NA
+"39880","N',2-Bis(4-bromophenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(4-bromophenyl)diazenecarbohydrazide",NA,"C1=CC(=CC=C1NNC(=O)N=NC2=CC=C(C=C2)Br)Br","YMUUVSDUCNXTIA-UHFFFAOYSA-N",383233,NA,"PDBC39880","671348","Present",NA,NA
+"39881","N',2-Bis(4-chloro-2-methylphenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(4-chloro-2-methylphenyl)diazenecarbohydrazide",NA,"CC1=C(C=CC(=C1)Cl)NNC(=O)N=NC2=C(C=C(C=C2)Cl)C","XMHURGKDKQULTC-UHFFFAOYSA-N",383225,NA,"PDBC39881","671340","Present",NA,NA
+"39882","N',2-Bis(5-(hydroxy(oxido)amino)-2-methylphenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(5-(hydroxy(oxido)amino)-2-methylphenyl)diazenecarbohydrazide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NNC(=O)N=NC2=C(C=CC(=C2)[N+](=O)[O-])C","OOIUTEXINAJKQP-UHFFFAOYSA-N",3675034,NA,"PDBC39882","671345","Present",NA,NA
+"39883","N',2-Bis(5-chloro-2-methylphenyl)diazenecarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',2-Bis(5-chloro-2-methylphenyl)diazenecarbohydrazide",NA,"CC1=C(C=C(C=C1)Cl)NNC(=O)N=NC2=C(C=CC(=C2)Cl)C","XSWUMDWWERZSFO-UHFFFAOYSA-N",383232,NA,"PDBC39883","671347","Present",NA,NA
+"39884","N',2-Diylidene)dipiperidine-1-carbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N''-(1 phenylethane-1,2-diylidene)dipiperidine-1-carb...",NA,"C1CCN(CC1)C(=S)NN=CC(=NNC(=S)N2CCCCC2)C3=CC=CC=C3","XRGYHCAZIJPKDQ-MDEJZTFRSA-N",6413034,NA,"PDBC39884","693328","Present",NA,NA
+"39885","N',N'''-(Dodecane-1,12-diyl)bis(6-chloropyrimidine-2,4-diamine)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[12-[(2-Amino-6-chloropyrimidin-4-yl)amino]dodecyl]-6-chloropyrimidine-2,4-diamine",NA,"C1=C(N=C(N=C1Cl)N)NCCCCCCCCCCCCNC2=CC(=NC(=N2)N)Cl","VKBKIQYIHZMYSV-UHFFFAOYSA-N",358988,NA,"PDBC39885","619195","Present",NA,NA
+"39886","N',N'-Bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Bis(2-cyclohexylethyl)-N,N-dimethylpropane-1,3-diamine;hydrochloride",NA,"CN(C)CCCN(CCC1CCCCC1)CCC2CCCCC2.Cl","NWHHZAVZYCWFPY-UHFFFAOYSA-N",54609597,NA,"PDBC39886","81465","Present",NA,NA
+"39887","N',N'-Diethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)butane-1,4-diamine;chloride;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Diethyl-N-(5-methyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)butane-1,4-diamine;chloride;hydrochloride",NA,"CCN(CC)CCCCNC1=C2C(=[N+](C3=CC=CC=C31)C)C4=CC=CC=C4N2.Cl.[Cl-]","VWMMYRCUWSIIBR-UHFFFAOYSA-N",54612841,NA,"PDBC39887","748393","Present",NA,NA
+"39888","N',N'-Diethyl-N-(6-methoxyquinolin-8-yl)hexane-1,6-diamine;phosphoric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Diethyl-N-(6-methoxyquinolin-8-yl)hexane-1,6-diamine;phosphoric acid",NA,"CCN(CC)CCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O","SVNIIMKVNJHUDE-UHFFFAOYSA-N",54602014,NA,"PDBC39888","13459","Present",NA,NA
+"39889","N',N'-Diethyl-N-(8-methoxy-11H-indolo[3,2-c]quinolin-6-yl)propane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-Diethylaminopropylaminopropylamino)-8-methoxy-11-H-...",NA,"CCN(CC)CCCNC1=NC2=CC=CC=C2C3=C1C4=C(N3)C=CC(=C4)OC.Cl","QXFGKCSFZSVDTK-UHFFFAOYSA-N",379559,NA,"PDBC39889","664238","Present",NA,NA
+"39890","N',N'-Diethyl-N-[2-phenyl-1-(4-phenylmethoxyphenyl)ethyl]ethane-1,2-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Diethyl-N-[2-phenyl-1-(4-phenylmethoxyphenyl)ethyl]ethane-1,2-diamine;hydrochloride",NA,"CCN(CC)CCNC(CC1=CC=CC=C1)C2=CC=C(C=C2)OCC3=CC=CC=C3.Cl","RTTHMYKSMICGLT-UHFFFAOYSA-N",24190418,NA,"PDBC39890","108250","Present",NA,NA
+"39891","N',N'-Diethyl-N-[6-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]quinolin-4-yl]ethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799916///NSC801797///NSC803403",NA,"CCN(CC)CCNC1=CC(=NC2=C1C=C(C=C2)N3CCCC3)C4=CC(=CC=C4)OC(F)(F)F","IHBXYOHDFDUHJE-UHFFFAOYSA-N",155815786,NA,"PDBC39891","799916///801797///803403","Present",NA,NA
+"39892","N',N'-Dihexyl-N-isoquinolin-1-ylpropane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Dihexyl-N-isoquinolin-1-ylpropane-1,3-diamine;hydrochloride",NA,"CCCCCCN(CCCCCC)CCCNC1=NC=CC2=CC=CC=C21.Cl","RUZMVCNHHLJKFW-UHFFFAOYSA-N",24180985,NA,"PDBC39892","3611","Present",NA,NA
+"39893","N',N'-Dimethyl-N-(5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Dimethyl-N-(5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride",NA,"CN(C)CCCNC1=C2C(=NC=C1)C=CC=C2[N+](=O)[O-].Cl","KSUFKZLGSNYVAE-UHFFFAOYSA-N",368343,NA,"PDBC39893","639205","Present",NA,NA
+"39894","N',N'-Dimethyl-N-(7,8,9,10-tetrahydrophenanthridin-6-yl)ethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Dimethyl-N-(7,8,9,10-tetrahydrophenanthridin-6-yl)ethane-1,2-diamine",NA,"CN(C)CCNC1=NC2=CC=CC=C2C3=C1CCCC3","KZMNXCMBNDXDHO-UHFFFAOYSA-N",402858,NA,"PDBC39894","717122","Present",NA,NA
+"39895","N',N'-Dimethyl-N-(8-methyl-5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Dimethyl-N-(8-methyl-5-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride",NA,"CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCCN(C)C.Cl","WYWBJLUTFIFQIJ-UHFFFAOYSA-N",368344,NA,"PDBC39895","639206","Present",NA,NA
+"39896","N',N'-Dimethyl-N-(8-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Dimethyl-N-(8-nitroquinolin-4-yl)propane-1,3-diamine;hydrochloride",NA,"CN(C)CCCNC1=C2C=CC=C(C2=NC=C1)[N+](=O)[O-].Cl","NNSVDSVHKMXIHG-UHFFFAOYSA-N",375875,NA,"PDBC39896","656190","Present",NA,NA
+"39897","N',N'-Dimethyl-N-(naphthalen-1-ylmethyl)propane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Dimethyl-N-(naphthalen-1-ylmethyl)propane-1,3-diamine;hydrochloride",NA,"CN(C)CCCNCC1=CC=CC2=CC=CC=C21.Cl","HDYRTAIXDDNRRO-UHFFFAOYSA-N",377233,NA,"PDBC39897","658480","Present",NA,NA
+"39898","N'-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-1-piperidinecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)methylideneamino]piperidine-1-carbothioamide",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=S)N3CCCCC3","GGVFHMCXWXXSJH-CPNJWEJPSA-N",9571639,NA,"PDBC39898","693336","Present",NA,NA
+"39899","N'-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-4-methoxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)-4-methoxybenzohydrazide",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=CC=C(C=C3)OC","BJJUWMOEJIIKTP-FYJGNVAPSA-N",9571388,NA,"PDBC39899","651698","Present",NA,NA
+"39900","N'-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-((1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methylene)benzohydrazide",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=CC=CC=C3","KWWDQDXKNRLKAV-DEDYPNTBSA-N",9571387,NA,"PDBC39900","651697","Present",NA,NA
+"39901","N'-((2,6-Dimethyl-5-((2-((4-methylphenyl)sulfonyl)hydrazino)carbonyl)-1,4-dihydro-3-pyridinyl)carbonyl)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,6-Dimethyl-N3',N5'-bis(p-tolylsulfonyl)-1,4-dihydropyridine-3,5-dicarbohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(NC(=C(C2)C(=O)NNS(=O)(=O)C3=CC=C(C=C3)C)C)C","VQBYJESZGNHVMJ-UHFFFAOYSA-N",368957,NA,"PDBC39901","640362","Present",NA,NA
+"39902","N'-((4-(Allyloxy)-3-methoxyphenyl)((4-(hydroxy(oxido)amino)phenyl)diazenyl)methylene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-((4-(Allyloxy)-3-methoxyphenyl)((4-(hydroxy(oxido)amino)phenyl)diazenyl)methylene)benzohydrazide",NA,"COC1=C(C=CC(=C1)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-])OCC=C","BWLAXMIYNBVPFD-JZAMBYSNSA-N",135493902,NA,"PDBC39902","679494","Present",NA,NA
+"39903","N'-((4-(Allyloxy)-3-methoxyphenyl)((4-chlorophenyl)diazenyl)methylene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-((4-(Allyloxy)-3-methoxyphenyl)((4-chlorophenyl)diazenyl)methylene)benzohydrazide",NA,"COC1=C(C=CC(=C1)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)Cl)OCC=C","LLAPUIBFGPAVFX-CMHWQGJSSA-N",135493903,NA,"PDBC39903","679495","Present",NA,NA
+"39904","N'-((4-(Allyloxy)-3-methoxyphenyl)((4-methylphenyl)diazenyl)methylene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-((4-(Allyloxy)-3-methoxyphenyl)((4-methylphenyl)diazenyl)methylene)benzohydrazide",NA,"CC1=CC=C(C=C1)N=NC(=NNC(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)OCC=C)OC","IVVRXLWINIYWNP-AFWWLGEOSA-N",135493901,NA,"PDBC39904","679493","Present",NA,NA
+"39905","N'-((4-(Allyloxy)-3-methoxyphenyl)(phenyldiazenyl)methylene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-((4-(Allyloxy)-3-methoxyphenyl)(phenyldiazenyl)methylene)benzohydrazide",NA,"COC1=C(C=CC(=C1)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=CC=C3)OCC=C","XMVGBDYHBUVKNO-JZAMBYSNSA-N",135493900,NA,"PDBC39905","679492","Present",NA,NA
+"39906","N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)((3-methoxyphenyl)diazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-5-bromo-2-hydroxybenzamide",NA,"COC1=CC=CC(=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Br)O)C3=C(C=C(C=C3)N(CCC#N)CCC#N)OC","GGCOMEPMRIUEQP-BJPWPYEYSA-N",135493973,NA,"PDBC39906","685921","Present",NA,NA
+"39907","N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)((4-(hydroxy(oxido)amino)phenyl)diazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-nitrophenyl)diazenyl]methylidene]amino]-5-bromo-2-hydroxybenzamide",NA,"COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Br)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]","WVRDBMSLFMKSCT-DDDMTKIUSA-N",135493975,NA,"PDBC39907","685923","Present",NA,NA
+"39908","N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)((4-chlorophenyl)diazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-chlorophenyl)diazenyl]methylidene]amino]-5-bromo-2-hydroxybenzamide",NA,"COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Br)O)N=NC3=CC=C(C=C3)Cl","RVSWLNFGCUWUED-FMNFIABWSA-N",135493972,NA,"PDBC39908","685920","Present",NA,NA
+"39909","N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)((4-methoxyphenyl)diazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-5-bromo-2-hydroxybenzamide",NA,"COC1=CC=C(C=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Br)O)C3=C(C=C(C=C3)N(CCC#N)CCC#N)OC","ABCAFUPWMLRGJX-BJPWPYEYSA-N",135493974,NA,"PDBC39909","685922","Present",NA,NA
+"39910","N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)((4-methylphenyl)diazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-5-bromo-2-hydroxybenzamide",NA,"CC1=CC=C(C=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Br)O)C3=C(C=C(C=C3)N(CCC#N)CCC#N)OC","WBDRSZNAFFEVLA-BJPWPYEYSA-N",135493971,NA,"PDBC39910","685919","Present",NA,NA
+"39911","N'-((4-(Bis(2-cyanoethyl)amino)-2-methoxyphenyl)(phenyldiazenyl)methylene)-5-bromo-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-phenyldiazenylmethylidene]amino]-5-bromo-2-hydroxybenzamide",NA,"COC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Br)O)N=NC3=CC=CC=C3","RVGGVEVUGOGKTO-DDDMTKIUSA-N",135493970,NA,"PDBC39911","685918","Present",NA,NA
+"39912","N'-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)((3-(hydroxy(oxido)amino)phenyl)diazenyl)methylene)-5-chloro-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-5-chloro-2-hydroxybenzamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC(=CC=C3)[N+](=O)[O-]","VQOSKOLJUKRWLW-DDDMTKIUSA-N",135446391,NA,"PDBC39912","685927","Present",NA,NA
+"39913","N'-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)((3-chlorophenyl)diazenyl)methylene)-5-chloro-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-chlorophenyl)diazenyl]methylidene]amino]-5-chloro-2-hydroxybenzamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC(=CC=C3)Cl","SUNYWTVNZMNDGK-FMNFIABWSA-N",135446392,NA,"PDBC39913","685926","Present",NA,NA
+"39914","N'-((4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)((3-methylphenyl)diazenyl)methylene)-5-chloro-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-5-chloro-2-hydroxybenzamide",NA,"CC1=CC(=CC=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Cl)O)C3=C(C=C(C=C3)N(CCC#N)CCC#N)C","HBTHNMAFDAJNEY-BJPWPYEYSA-N",135493977,NA,"PDBC39914","685925","Present",NA,NA
+"39915","N'-((4-Amino-1,3-dimethyl-2,6-dioxohexahydro-5-pyrimidinyl)methylene)nicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-((4-Amino-1,3-dimethyl-2,6-dioxohexahydro-5-pyrimidinyl)methylene)nicotinohydrazide",NA,"CN1C(C(C(=O)N(C1=O)C)C=NNC(=O)C2=CN=CC=C2)N","RVSMIXRCPDBFHN-FRKPEAEDSA-N",9571569,NA,"PDBC39915","683606","Present",NA,NA
+"39916","N'-((6-Amino-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)methylene)-2-cyanoacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)methyleneamino]-2-cyano-acetamide",NA,"CN1C(=C(C(=O)N(C1=O)C)C=NNC(=O)CC#N)N","YUXPWKXTPVTFQT-WLRTZDKTSA-N",9571568,NA,"PDBC39916","683590","Present",NA,NA
+"39917","N'-((6-Methyl-2-pyridinyl)methylene)-1-azepanecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-((6-Methyl-2-pyridinyl)methylene)-1-azepanecarbothiohydrazide",NA,"CC1=NC(=CC=C1)C=NNC(=S)N2CCCCCC2","WCELUABOGMNLGI-RVDMUPIBSA-N",9554750,NA,"PDBC39917","667876","Present",NA,NA
+"39918","N'-((6-Methyl-2-pyridinyl)methylene)-1-pyrrolidinecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-((6-Methyl-2-pyridinyl)methylene)-1-pyrrolidinecarbothiohydrazide",NA,"CC1=NC(=CC=C1)C=NNC(=S)N2CCCC2","NTPQBGPSNWNHFH-UKTHLTGXSA-N",9571830,NA,"PDBC39918","661734","Present",NA,NA
+"39919","N'-((Dimethylamino)(methylamino)methylene)-N,N-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-((Dimethylamino)(methylamino)methylene)-N,N-dimethylthiourea",NA,"CN=C(NC(=S)N(C)C)N(C)C","ZSQULZOLSCMMGT-UHFFFAOYSA-N",3004017,NA,"PDBC39919","622653","Present",NA,NA
+"39920","N'-(1,2,4-Benzothiadiazin-3-yl)pyrazine-2-carbohydarazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1,1-dioxido-4-phenyl-4H-1,2,4-benzothiadiazin-3-yl)p...",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3S(=O)(=O)N=C2NNC(=O)C4=NC=CN=C4","GEHWMIULYSRRCG-UHFFFAOYSA-N",15955471,NA,"PDBC39920","740556","Present",NA,NA
+"39921","N'-(1,3-Benzodioxol-5-ylmethyl)-N-(7-chloroquinolin-4-yl)-N'-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N3-(7-chloroquinolin...",NA,"CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC5=C(C=C4)OCO5)N6CCOCC6","VWWQZVLANOZKAO-UHFFFAOYSA-N",137643822,NA,"PDBC39921","784076","Present",NA,NA
+"39922","N'-(1,3-Benzodioxol-5-ylmethyl)-N-(7-chloroquinolin-4-yl)-N'-[4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-yl]ethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(benzo[d][1,3]dioxol-5-ylmethyl)-N2-(7-chloroquinolin...",NA,"CCN1CCN(CC1)C2=NC(=NC(=C2)C)N(CCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","HQYCMPZLLSZLCH-UHFFFAOYSA-N",137654981,NA,"PDBC39922","784077","Present",NA,NA
+"39923","N'-(1,3-Dihydro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylimidoformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1,3-Dihydro-2,1,3-benzothiadiazol-4-yl)-N,N-dimethylimidoformamide",NA,"CN(C)C=NC1=CC=CC2=C1NSN2","SCKIUWVRNMEILC-UHFFFAOYSA-N",379826,NA,"PDBC39923","664956","Present",NA,NA
+"39924","N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-(1-Hydroxy-1lambda(5)-pyridin-2-yl)ethyl)-4-(2-pyridinyl)-1-piperazinecarbothiohydrazide",NA,"CC(C1=CC=CC=[N+]1[O-])NNC(=S)N2CCN(CC2)C3=CC=CC=N3","IUXZGDMEPCDYEL-UHFFFAOYSA-N",3003953,NA,"PDBC39924","352741","Present",NA,NA
+"39925","N'-(1-(2-(2-(Hydroxy(oxido)amino)-4-methylanilino)-4-methyl-1,3-thiazol-5-yl)-3-(3-hydroxyphenyl)-2-propenylidene)propanohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(E)-3-(3-Hydroxyphenyl)-1-[4-methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]propanamide",NA,"CCC(=O)NN=C(C=CC1=CC(=CC=C1)O)C2=C(N=C(S2)NC3=C(C=C(C=C3)C)[N+](=O)[O-])C","AYQGDCRHPBIPGC-KCLFYHGJSA-N",135499149,NA,"PDBC39925","640337","Present",NA,NA
+"39926","N'-(1-(2-Chlorophenyl)ethylidene)isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC63135",NA,"CC(=NNC(=O)C1=CC=NC=C1)C2=CC=CC=C2Cl","QZWHCEOEMMVVBN-LICLKQGHSA-N",5459156,NA,"PDBC39926","63135","Present",NA,NA
+"39927","N'-(1-(2-Hydroxyethyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)-N,N-dimethylimidoformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-(2-Hydroxyethyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)-N,N-dimethylimidoformamide",NA,"CN(C)C=NC1=NC(=O)N(C=C1)CCO","HXQFQHVGUZEAFJ-UHFFFAOYSA-N",367723,NA,"PDBC39927","637657","Present",NA,NA
+"39928","N'-(1-(2-Pyridinyl)ethylidene)-3-azabicyclo[3.2.2]nonane-3-carboselenohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azabicyclo[3.2.2]nonane-3-carboselenoic acid, [1-(2-py...",NA,"CC(=NN=C(N1CC2CCC(C1)CC2)[Se])C3=CC=CC=N3","QZCGQJFNGZOSQK-UHIRCJBMSA-N",9571210,NA,"PDBC39928","323241","Present",NA,NA
+"39929","N'-(1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2,4-dichlorophenyl)-2-hydroxyethylidene)isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[1-(6-Chloro-3-oxo-4H-quinoxalin-2-yl)-2-(2,4-dichlorophenyl)-2-hydroxyethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC(=C(C=C1Cl)Cl)C(C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)Cl)NC3=O)O","YBDXCIONGCJFGM-MIXAMLLLSA-N",135483908,NA,"PDBC39929","642650","Present",NA,NA
+"39930","N'-(1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-(2-chlorophenyl)-2-hydroxyethylidene)isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[1-(6-Chloro-3-oxo-4H-quinoxalin-2-yl)-2-(2-chlorophenyl)-2-hydroxyethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC=C(C(=C1)C(C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)Cl)NC3=O)O)Cl","PKKCFTNWUYFDDB-MTDXEUNCSA-N",135483905,NA,"PDBC39930","647082","Present",NA,NA
+"39931","N'-(1-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydroxy-2-(3-(hydroxy(oxido)amino)phenyl)ethylidene)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[1-(6-Chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxy-2-(3-nitrophenyl)ethylidene]amino]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(C4=CC(=CC=C4)[N+](=O)[O-])O","WZQBTWRGQULAGD-NHFJDJAPSA-N",135499253,NA,"PDBC39931","647084","Present",NA,NA
+"39932","N'-(1-(6-Chloro-3-hydroxy-3,4-dihydro-2-quinoxalinyl)-2-hydroxy-4-phenyl-3-butenylidene)isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(E)-1-(6-Chloro-3-hydroxy-3,4-dihydroquinoxalin-2-yl)-2-hydroxy-4-phenylbut-3-enylidene]amino]pyridine-4-carboxamide",NA,"C1=CC=C(C=C1)C=CC(C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)Cl)NC3O)O","LEKNKTRSTKTQQF-GWSHLURKSA-N",135483904,NA,"PDBC39932","641611","Present",NA,NA
+"39933","N'-(1-Benzyl-3-(dimethylamino)-2-phenylpropylidene)isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-Benzyl-3-(dimethylamino)-2-phenylpropylidene)isonicotinohydrazide",NA,"CN(C)CC(C1=CC=CC=C1)C(=NNC(=O)C2=CC=NC=C2)CC3=CC=CC=C3","NBDFSGIKEMKEQE-RWEWTDSWSA-N",6081287,NA,"PDBC39933","647254","Present",NA,NA
+"39934","N'-(1-Benzyl-4-piperidinylidene)-2-hydroxy-2,2-diphenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-Benzyl-4-piperidinylidene)-2-hydroxy-2,2-diphenylacetohydrazide",NA,"C1CN(CCC1=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC4=CC=CC=C4","UVBZUWWUEOFPKM-UHFFFAOYSA-N",379872,NA,"PDBC39934","665009","Present",NA,NA
+"39935","N'-(1-Benzyl-4-piperidinylidene)-N-formyl-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-Benzyl-4-piperidinylidene)-N-formyl-4-methylbenzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C=O)N=C2CCN(CC2)CC3=CC=CC=C3","CGRLFLSCVXIEMT-UHFFFAOYSA-N",372274,NA,"PDBC39935","647332","Present",NA,NA
+"39936","N'-(1-Isoquinolin-1-ylethyl)-4-pyridin-2-ylpiperazine-1-carbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperazinecarbothioic acid, 4-(2-pyridinyl)-, 2-[1-(1-...",NA,"CC(C1=NC=CC2=CC=CC=C21)NNC(=S)N3CCN(CC3)C4=CC=CC=N4","KLYOLLLMOLFUSQ-UHFFFAOYSA-N",3000691,NA,"PDBC39936","353896","Present",NA,NA
+"39937","N'-(1-Methyl-2-((1-piperidinylcarbothioyl)hydrazono)propylidene)-1-piperidinecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-Methyl-2-((1-piperidinylcarbothioyl)hydrazono)propylidene)-1-piperidinecarbothiohydrazide",NA,"CC(=NNC(=S)N1CCCCC1)C(=NNC(=S)N2CCCCC2)C","XMBHYEMPDFQTHN-JTFWXBGUSA-N",6412871,NA,"PDBC39937","693320","Present",NA,NA
+"39938","N'-(1-Naphthyl)-N,N-diphenylcarbamimidic chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-Naphthyl)-N,N-diphenylcarbamimidic chloride",NA,"C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=NC3=CC=CC4=CC=CC=C43)Cl","XWFIEOIMMLRDEE-UHFFFAOYSA-N",240684,NA,"PDBC39938","47118","Present",NA,NA
+"39939","N'-(1-Nitroacridin-9-yl)propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acridine-9-amine, N-(3-aminopropyl)-1-nitro-",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCN","CAFAFONOMYEYHO-UHFFFAOYSA-N",378853,NA,"PDBC39939","662193","Present",NA,NA
+"39940","N'-(1-Phenylethyl)pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-(1-Phenylethyl)isonicotinohydrazide",NA,"CC(C1=CC=CC=C1)NNC(=O)C2=CC=NC=C2","BNFYDDNWBRYWHT-UHFFFAOYSA-N",383893,NA,"PDBC39940","672804","Present",NA,NA
+"39941","N'-(1-Phenylethylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-205/06490006",NA,"CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2","WXWKWIKTRTXOIW-NTCAYCPXSA-N",9569840,NA,"PDBC39941","622084","Present",NA,NA
+"39942","N'-(1-Pyridazin-3-ylethyl)azepane-1-carbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-Pyridazin-3-ylethyl)azepane-1-carbothiohydrazide",NA,"CC(C1=NN=CC=C1)NNC(=S)N2CCCCCC2","BRVZCYLUAGQTFE-UHFFFAOYSA-N",5468192,NA,"PDBC39942","665918","Present",NA,NA
+"39943","N'-(1-Pyridazin-3-ylethyl)pyrrolidine-1-carbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-Pyridazin-3-ylethyl)pyrrolidine-1-carbothiohydrazide",NA,"CC(C1=NN=CC=C1)NNC(=S)N2CCCC2","DJDXBVMBBMELRK-UHFFFAOYSA-N",5468191,NA,"PDBC39943","665917","Present",NA,NA
+"39944","N'-(1-Quinolin-2-ylethyl)azepane-1-carbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-Quinolin-2-ylethyl)azepane-1-carbothiohydrazide",NA,"CC(C1=NC2=CC=CC=C2C=C1)NNC(=S)N3CCCCCC3","YINIEYCTRUUCMZ-UHFFFAOYSA-N",3436670,NA,"PDBC39944","345296","Present",NA,NA
+"39945","N'-(2,2,2-Trifluoro-1-phenyl-ethyl)pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2,2,2-Trifluoro-1-phenyl-ethyl)pyridine-4-carbohydrazide",NA,"C1=CC=C(C=C1)C(C(F)(F)F)NNC(=O)C2=CC=NC=C2","LYWZPIZZDUIKQY-UHFFFAOYSA-N",386650,NA,"PDBC39945","679106","Present",NA,NA
+"39946","N'-(2,2,2-Trifluoroethyl)pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-(2,2,2-Trifluoroethyl)isonicotinohydrazide",NA,"C1=CN=CC=C1C(=O)NNCC(F)(F)F","CRYWAVKIIJLPGQ-UHFFFAOYSA-N",385618,NA,"PDBC39946","676923","Present",NA,NA
+"39947","N'-(2,2,2-Trifluoroethylidene)isonicotinic hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671544",NA,"C1=CN=CC=C1C(=O)NN=CC(F)(F)F","RTZXLZYMFHIQAA-ACAGNQJTSA-N",6039964,NA,"PDBC39947","671544","Present",NA,NA
+"39948","N'-(2,3-Dichlorobenzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK437757",NA,"C1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C(=CC=C2)Cl)Cl","JTJVMOCEZVLZOX-CXUHLZMHSA-N",5335279,NA,"PDBC39948","623219","Present",NA,NA
+"39949","N'-(2,3-Dihydroxybenzylidene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2,3-Dihydroxybenzylidene)benzohydrazide",NA,"C1=CC=C(C=C1)C(=O)NN=CC2=C(C(=CC=C2)O)O","JZHNRNFHZBZDJV-OQLLNIDSSA-N",135403169,NA,"PDBC39949","351813","Present",NA,NA
+"39950","N'-(2,3-Dimethyl-4H-furo[3,2-b]pyrrole-6-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2,4-dihydroxybenzylidene)-2,3-dimethyl-4H-furo[3,2-b...",NA,"CC1=C(OC2=C1NC=C2C(=O)NN=CC3=C(C=C(C=C3)O)O)C","QTISQRJHYIWSRO-FXBPXSCXSA-N",135958493,NA,"PDBC39950","745543","Present",NA,NA
+"39951","N'-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(4-chloroanilino)-4-methyl-1,3-thiazole-5-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(4-chloroanilino)-4-methyl-1,3-thiazole-5-carbohydrazide",NA,"CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","MCHBBUWPIGISIT-UHFFFAOYSA-N",3518503,NA,"PDBC39951","637602","Present",NA,NA
+"39952","N'-(2,4-Dichlorobenzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3W-0627",NA,"C1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=C(C=C2)Cl)Cl","GXHCURFFVDKZPK-CXUHLZMHSA-N",6898688,NA,"PDBC39952","623220","Present",NA,NA
+"39953","N'-(2,4-Dihydroxybenzylidene)nicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyridinecarboxylic acid, [(2,4-dihydroxyphenyl)methyle...",NA,"C1=CC(=CN=C1)C(=O)NN=CC2=C(C=C(C=C2)O)O","YKUFPSNDHXRMFP-OVCLIPMQSA-N",135488764,NA,"PDBC39953","268690","Present",NA,NA
+"39954","N'-(2,4-Dimethylbenzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2,4-Dimethylbenzylidene)benzenesulfonohydrazide",NA,"CC1=CC(=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2)C","SDUMLWVFOBPLIH-LFIBNONCSA-N",6908569,NA,"PDBC39954","623224","Present",NA,NA
+"39955","N'-(2,6-Dichlorobenzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL432374",NA,"C1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C=CC=C2Cl)Cl","GCAWUBBEOBJEDQ-CXUHLZMHSA-N",6898744,NA,"PDBC39955","623221","Present",NA,NA
+"39956","N'-(2,6-Dimethoxyphenyl)-N-{4-oxo-2-[(4-pyridylcarbonylamino)amino](3-hydroquinazolin-3-yl)}ethane-1,2-diamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethoxyphenyl)-N'-[4-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]quinazolin-3-yl]oxamide",NA,"COC1=C(C(=CC=C1)OC)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3N=C2NNC(=O)C4=CC=NC=C4","BFXZERPKTYBWCO-UHFFFAOYSA-N",372942,NA,"PDBC39956","648654","Present",NA,NA
+"39957","N'-(2-((1-Azepanylcarbothioyl)hydrazono)-1-methylpropylidene)-1-azepanecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-((1-Azepanylcarbothioyl)hydrazono)-1-methylpropylidene)-1-azepanecarbothiohydrazide",NA,"CC(=NNC(=S)N1CCCCCC1)C(=NNC(=S)N2CCCCCC2)C","IUBJLNZJBWCARU-IKBKFCNISA-N",6413111,NA,"PDBC39957","693321","Present",NA,NA
+"39958","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-2-naphthalenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-2-naphthalenesulfonohydrazide",NA,"CC(=NNS(=O)(=O)C1=CC2=CC=CC=C2C=C1)CN3C(=O)C4=CC=CC=C4C3=O","NMRIBZHTESWTLA-HYARGMPZSA-N",9555855,NA,"PDBC39958","643503","Present",NA,NA
+"39959","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-3,4-dimethoxybenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-(1,3-Dioxoisoindol-2-yl)propan-2-ylideneamino]-3,4-dimethoxybenzenesulfonamide",NA,"CC(=NNS(=O)(=O)C1=CC(=C(C=C1)OC)OC)CN2C(=O)C3=CC=CC=C3C2=O","RSTPSKDABVLYGH-UDWIEESQSA-N",9555862,NA,"PDBC39959","643511","Present",NA,NA
+"39960","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-3-(hydroxy(oxido)amino)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-(1,3-Dioxoisoindol-2-yl)propan-2-ylideneamino]-3-nitrobenzenesulfonamide",NA,"CC(=NNS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])CN2C(=O)C3=CC=CC=C3C2=O","IAJWUVNNMXKRCZ-WOJGMQOQSA-N",9555858,NA,"PDBC39960","643506","Present",NA,NA
+"39961","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-fluorobenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-fluorobenzenesulfonohydrazide",NA,"CC(=NNS(=O)(=O)C1=CC=C(C=C1)F)CN2C(=O)C3=CC=CC=C3C2=O","LUDPADPUWHOGFV-YBFXNURJSA-N",9555866,NA,"PDBC39961","643515","Present",NA,NA
+"39962","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-methoxybenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-methoxybenzenesulfonohydrazide",NA,"CC(=NNS(=O)(=O)C1=CC=C(C=C1)OC)CN2C(=O)C3=CC=CC=C3C2=O","SRKPMSJXODRVFA-XDHOZWIPSA-N",9555856,NA,"PDBC39962","643504","Present",NA,NA
+"39963","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)-4-methylbenzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CN2C(=O)C3=CC=CC=C3C2=O","VQZWKGVPSRCUQY-CPNJWEJPSA-N",9555860,NA,"PDBC39963","643508","Present",NA,NA
+"39964","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)benzenesulfonohydrazide",NA,"CC(=NNS(=O)(=O)C1=CC=CC=C1)CN2C(=O)C3=CC=CC=C3C2=O","HDCJCMAKVUELMJ-LDADJPATSA-N",9555854,NA,"PDBC39964","643502","Present",NA,NA
+"39965","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)methanesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)methanesulfonohydrazide",NA,"CC(=NNS(=O)(=O)C)CN1C(=O)C2=CC=CC=C2C1=O","PSDCOLUSMAHAAF-MDWZMJQESA-N",9555857,NA,"PDBC39965","643505","Present",NA,NA
+"39966","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-2-naphthalenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-2-naphthalenesulfonohydrazide",NA,"C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NN=CCN3C(=O)C4=CC=CC=C4C3=O","IKNAUGAOBHHOPK-SRZZPIQSSA-N",9555865,NA,"PDBC39966","643514","Present",NA,NA
+"39967","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-3,4-dimethoxybenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-3,4-dimethoxybenzenesulfonohydrazide",NA,"COC1=C(C=C(C=C1)S(=O)(=O)NN=CCN2C(=O)C3=CC=CC=C3C2=O)OC","SZDNUIFVKGCTLM-DJKKODMXSA-N",9555824,NA,"PDBC39967","637079","Present",NA,NA
+"39968","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-3-(hydroxy(oxido)amino)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2-(1,3-Dioxoisoindol-2-yl)ethylideneamino]-3-nitrobenzenesulfonamide",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CC=NNS(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]","VJXKWLDYCVSMFJ-CAOOACKPSA-N",9571275,NA,"PDBC39968","637083","Present",NA,NA
+"39969","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-fluorobenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-fluorobenzenesulfonohydrazide",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CC=NNS(=O)(=O)C3=CC=C(C=C3)F","OJPMFUFIACSIAA-GIJQJNRQSA-N",9571273,NA,"PDBC39969","637080","Present",NA,NA
+"39970","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-methoxybenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-methoxybenzenesulfonohydrazide",NA,"COC1=CC=C(C=C1)S(=O)(=O)NN=CCN2C(=O)C3=CC=CC=C3C2=O","QOXYYGCTCHRIPY-VCHYOVAHSA-N",9571276,NA,"PDBC39970","637085","Present",NA,NA
+"39971","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)-4-methylbenzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=CCN2C(=O)C3=CC=CC=C3C2=O","ZLSGCFQBYIRYRZ-VCHYOVAHSA-N",9571274,NA,"PDBC39971","637081","Present",NA,NA
+"39972","N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)methanesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)methanesulfonohydrazide",NA,"CS(=O)(=O)NN=CCN1C(=O)C2=CC=CC=C2C1=O","MNVCYFSEBHVELM-WUXMJOGZSA-N",9571330,NA,"PDBC39972","643510","Present",NA,NA
+"39973","N'-(2-(2-Chlorophenyl)-2-hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethylidene)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[2-(2-Chlorophenyl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CC=C4Cl)O","WOKVPWYZNYRAMP-NHFJDJAPSA-N",135499247,NA,"PDBC39973","646833","Present",NA,NA
+"39974","N'-(2-(3-Chlorophenyl)-4-hydroxy-5-imino-2,5-dihydro-3-furanyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-(3-Chlorophenyl)-4-hydroxy-5-imino-2,5-dihydro-3-furanyl)benzenesulfonohydrazide",NA,"C1=CC=C(C=C1)S(=O)(=O)NN=C2C(OC(=C2O)N)C3=CC(=CC=C3)Cl","LZQIGXLVMGDFBQ-UYRXBGFRSA-N",5838810,NA,"PDBC39974","640355","Present",NA,NA
+"39975","N'-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-N'-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-N'-phenylacetohydrazide",NA,"CC(=O)NN(C1CCN(N1C(=O)C)C2=CC=CC=C2)C3=CC=CC=C3","XPAYCMMHSJSWNZ-UHFFFAOYSA-N",377019,NA,"PDBC39975","658237","Present",NA,NA
+"39976","N'-(2-Bromo-3-phenyl-2-propenylidene)-2-((4-(2-(2-(2-bromo-3-phenyl-2-propenylidene)hydrazino)-2-oxoethoxy)-6-methyl-2-pyrimidinyl)thio)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(Z)-2-Bromo-3-phenylprop-2-enylidene]amino]-2-[2-[2-[(2E)-2-[(Z)-2-bromo-3-phenylprop-2-enylidene]hydrazinyl]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-yl]oxyacetamide",NA,"CC1=CC(=NC(=N1)SCC(=O)NN=CC(=CC2=CC=CC=C2)Br)OCC(=O)NN=CC(=CC3=CC=CC=C3)Br","KZXIZYXSHGCLHG-JMHICSSYSA-N",9571644,NA,"PDBC39976","694238","Present",NA,NA
+"39977","N'-(2-Bromo-4-tert-butylcyclohexylidene)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Bromo-4-tert-butylcyclohexylidene)-4-methylbenzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC(CC2Br)C(C)(C)C","DIKKPVZHJIIROU-MNDPQUGUSA-N",6289950,NA,"PDBC39977","673923","Present",NA,NA
+"39978","N'-(2-Butenylidene)-N-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)-3,5-bis(hydroxy(oxido)amino)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(E)-But-2-enylidene]amino]-N-(5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl)-3,5-dinitrobenzamide",NA,"CC=CC=NN(C1=NC(C(=NN1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","KTWWUYZVBLRENN-XSXLHIAQSA-N",9571281,NA,"PDBC39978","640641","Present",NA,NA
+"39979","N'-(2-Cyano-3-(dimethylamino)acryloyl)-N,N-dimethylhydrazonoformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Cyano-3-(dimethylamino)acryloyl)-N,N-dimethylhydrazonoformamide",NA,"CN(C)C=C(C#N)C(=O)NN=CN(C)C","DFYPNSKXRDMLHF-JMFBPXTISA-N",9571448,NA,"PDBC39979","664553","Present",NA,NA
+"39980","N'-(2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethylidene)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[2-Hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=C(C=C4)[N+](=O)[O-])O","CTUJTVKFFGNKOR-LHLOQNFPSA-N",135499170,NA,"PDBC39980","641813","Present",NA,NA
+"39981","N'-(2-Hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-3,4-dihydro-2-quinoxalinyl)-2-(4-(hydroxy(oxido)amino)phenyl)ethylidene)-2-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[2-Hydroxy-1-(3-hydroxy-6-nitro-3,4-dihydroquinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2O)C(C4=CC=C(C=C4)[N+](=O)[O-])O","OSMQTLIEDLTQMN-SGWCAAJKSA-N",135499260,NA,"PDBC39981","647270","Present",NA,NA
+"39982","N'-(2-Hydroxy-2-(4-(1-hydroxyethyl)phenyl)-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethylidene)isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-Hydroxy-2-[4-(1-hydroxyethyl)phenyl]-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]pyridine-4-carboxamide",NA,"CC(C1=CC=C(C=C1)C(C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)O)O","NZNXPOJRMIXBIR-RRAHZORUSA-N",135483907,NA,"PDBC39982","641614","Present",NA,NA
+"39983","N'-(2-Hydroxy-2-phenylethyl)-N,N-dimethylimidoformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Hydroxy-2-phenylethyl)-N,N-dimethylimidoformamide",NA,"CN(C)C=NCC(C1=CC=CC=C1)O","QMJISUCYXPYHBZ-UHFFFAOYSA-N",380204,NA,"PDBC39983","665675","Present",NA,NA
+"39984","N'-(2-Hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)-3,4-dimethoxybenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)-3,4-dimethoxybenzenesulfonohydrazide",NA,"COC1=C(C=C(C=C1)S(=O)(=O)NN=CC2=C(C(=CC(=C2)I)[N+](=O)[O-])O)OC","HTJQBAOTYJAWOG-CAOOACKPSA-N",135429937,NA,"PDBC39984","620307","Present",NA,NA
+"39985","N'-(2-Hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)-3-(hydroxy(oxido)amino)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Hydroxy-5-iodo-3-nitrophenyl)methylideneamino]-3-nitrobenzenesulfonamide",NA,"C1=CC(=CC(=C1)S(=O)(=O)NN=CC2=C(C(=CC(=C2)I)[N+](=O)[O-])O)[N+](=O)[O-]","OYVGPXQWKHJMEK-VIZOYTHASA-N",135429933,NA,"PDBC39985","620303","Present",NA,NA
+"39986","N'-(2-Hydroxy-3-phenoxypropyl)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Hydroxy-3-phenoxypropyl)benzohydrazide",NA,"C1=CC=C(C=C1)C(=O)NNCC(COC2=CC=CC=C2)O","JCILIWWMVWFSMQ-UHFFFAOYSA-N",392121,NA,"PDBC39986","691993","Present",NA,NA
+"39987","N'-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-piperidinecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-piperidinecarbothiohydrazide",NA,"C1CCN(CC1)C(=S)NN=CC2=C(C=CC(=C2)[N+](=O)[O-])O","VSBGCTLSYZTBDP-NTEUORMPSA-N",135484941,NA,"PDBC39987","689530","Present",NA,NA
+"39988","N'-(2-Hydroxy-5-methoxybenzylidene)-1-piperidinecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Hydroxy-5-methoxybenzylidene)-1-piperidinecarbothiohydrazide",NA,"COC1=CC(=C(C=C1)O)C=NNC(=S)N2CCCCC2","ZZLKTDDOQDUTNM-XNTDXEJSSA-N",135484939,NA,"PDBC39988","689529","Present",NA,NA
+"39989","N'-(2-Hydroxybenzoyl)-2-furohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK112966",NA,"C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CO2)O","CZOHGESVLJJDSL-UHFFFAOYSA-N",393335,NA,"PDBC39989","695043","Present",NA,NA
+"39990","N'-(2-Hydroxybenzoyl)thiophene-2-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Salicyloyl-2-thiophenecarbohydrazide",NA,"C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CS2)O","HERHFFPVTWTXIP-UHFFFAOYSA-N",393336,NA,"PDBC39990","695044","Present",NA,NA
+"39991","N'-(2-Hydroxybenzylidene)-2-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK134301",NA,"C1=CC=C(C=C1)CC(=O)NN=CC2=CC=CC=C2O","PIKSTPCXRWWXCO-LFIBNONCSA-N",135400303,NA,"PDBC39991","715186","Present",NA,NA
+"39992","N'-(2-Hydroxyethyl)-N-(4-methoxyphenyl)-N-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Hydroxyethyl)-N-(4-methoxyphenyl)-N-phenylurea",NA,"COC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NCCO","HEGWHRMIGULUCG-UHFFFAOYSA-N",379840,NA,"PDBC39992","664972","Present",NA,NA
+"39993","N'-(2-Methylbutyl)-4-[4-[4-[N'-(2-methylbutyl)carbamimidoyl]phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-di(2-methylbutyl) 4,4'-(1,4-piperazinediyl)bisbenze...",NA,"CCC(C)CN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCC(C)CC)N)N.Cl","OJVLELGNLAVXEN-UHFFFAOYSA-N",24203704,NA,"PDBC39993","729172","Present",NA,NA
+"39994","N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-piperidinecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)-1-piperidinecarbothiohydrazide",NA,"C1CCN(CC1)C(=S)N=NC2=C(NC3=CC=CC=C32)O","XKLNKBOZHHMKRO-UHFFFAOYSA-N",381667,NA,"PDBC39994","668495","Present",NA,NA
+"39995","N'-(2-Pyridinylmethylene)-1-piperidinecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-Pyridinylmethylene)-1-piperidinecarbothiohydrazide",NA,"C1CCN(CC1)C(=S)NN=CC2=CC=CC=N2","SLOCYEFBRCHUHA-GXDHUFHOSA-N",9554746,NA,"PDBC39995","667871","Present",NA,NA
+"39996","N'-(2-Thenylidene)pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690247",NA,"C1=CSC(=C1)C=NNC(=O)C2=CC=NC=C2","VQHKTXKJAYPSHY-JYRVWZFOSA-N",5393999,NA,"PDBC39996","690247","Present",NA,NA
+"39997","N'-(3,3-Diethylcyclobutylidene)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3,3-Diethylcyclobutylidene)-4-methylbenzenesulfonohydrazide",NA,"CCC1(CC(=NNS(=O)(=O)C2=CC=C(C=C2)C)C1)CC","IXWLSXKPNFSNNM-UHFFFAOYSA-N",387518,NA,"PDBC39997","681329","Present",NA,NA
+"39998","N'-(3,4-Dichlorophenyl)-N-(2,3-dihydro-1H-benzimidazol-2-yl)methanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3,4-Dichlorophenyl)-N-(2,3-dihydro-1H-benzimidazol-2-yl)methanediamine",NA,"C1=CC=C2C(=C1)NC(N2)NCNC3=CC(=C(C=C3)Cl)Cl","MHVZONNBPRTHPD-UHFFFAOYSA-N",343042,NA,"PDBC39998","381793","Present",NA,NA
+"39999","N'-(3,4-Dichlorophenyl)-N-(4-methoxyphenyl)-N-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3,4-Dichlorophenyl)-N-(4-methoxyphenyl)-N-phenylurea",NA,"COC1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl","IAQAUPPGROBWFU-UHFFFAOYSA-N",377571,NA,"PDBC39999","659136","Present",NA,NA
+"40000","N'-(3,4-Dimethoxybenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3,4-Dimethoxybenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)acetohydrazide",NA,"COC1=C(C=C(C=C1)C=NNC(=O)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)OC","QRIJMMZDMSUYIQ-JVWAILMASA-N",9555905,NA,"PDBC40000","650812","Present",NA,NA
+"40001","N'-(3,4-Dimethyl-1,2,4-thiadiazol-5(4H)-ylidene)-N,N-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3,4-Dimethyl-1,2,4-thiadiazol-5(4H)-ylidene)-N,N-dimethylthiourea",NA,"CC1=NSC(=NC(=S)N(C)C)N1C","VACUHIAVXYKCCU-FPLPWBNLSA-N",9569876,NA,"PDBC40001","622656","Present",NA,NA
+"40002","N'-(3-(2-(Phenylsulfonyl)carbohydrazonoyl)benzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3-(2-(Phenylsulfonyl)carbohydrazonoyl)benzylidene)benzenesulfonohydrazide",NA,"C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=CC=C2)C=NNS(=O)(=O)C3=CC=CC=C3","JKCGIPKBFKFLJD-YHARCJFQSA-N",9569901,NA,"PDBC40002","623230","Present",NA,NA
+"40003","N'-(3-(3,4-Dimethoxyphenyl)-1-(2-(4-(hydroxy(oxido)amino)anilino)-4-methyl-1,3-thiazol-5-yl)-2-propenylidene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(E)-3-(3,4-Dimethoxyphenyl)-1-[4-methyl-2-(4-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]benzamide",NA,"CC1=C(SC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=NNC(=O)C3=CC=CC=C3)C=CC4=CC(=C(C=C4)OC)OC","SIZCKXICDRTWFS-YSYZDXPVSA-N",135499148,NA,"PDBC40003","640336","Present",NA,NA
+"40004","N'-(3-(4-(Dimethylamino)phenyl)-1-(2-(4-(hydroxy(oxido)amino)anilino)-4-methyl-1,3-thiazol-5-yl)-2-propenylidene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(E)-3-[4-(Dimethylamino)phenyl]-1-[4-methyl-2-(4-nitroanilino)-1,3-thiazol-5-yl]prop-2-enylidene]amino]benzamide",NA,"CC1=C(SC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=NNC(=O)C3=CC=CC=C3)C=CC4=CC=C(C=C4)N(C)C","PMLZTTJCGDDWEM-LJQKCBRLSA-N",135499150,NA,"PDBC40004","640338","Present",NA,NA
+"40005","N'-(3-(4-Bromophenyl)-1-((4-bromophenyl)(cyano)methyl)-3-cyano-2-oxopropylidene)-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[1,4-Bis(4-bromophenyl)-1,4-dicyano-3-oxobutan-2-ylidene]amino]-2-hydroxybenzamide",NA,"C1=CC=C(C(=C1)C(=O)NN=C(C(C#N)C2=CC=C(C=C2)Br)C(=O)C(C#N)C3=CC=C(C=C3)Br)O","JRHDLKYYKPTMNO-JJKYIXSRSA-N",9570041,NA,"PDBC40005","635339","Present",NA,NA
+"40006","N'-(3-Aminopropoxy)butane-1,4-diamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693138",NA,"C(CCNOCCCN)CN.Br","GNYZAYKKSOHQIA-UHFFFAOYSA-N",392593,NA,"PDBC40006","693138","Present",NA,NA
+"40007","N'-(3-Aminopropoxy)pentane-1,5-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694523",NA,"C(CCN)CCNOCCCN.Cl","LZEXALREDHDGFY-UHFFFAOYSA-N",393124,NA,"PDBC40007","694523","Present",NA,NA
+"40008","N'-(3-Aminopropoxy)propane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693218",NA,"C(CN)CNOCCCN.Cl","VVSRVJCXOSEHMW-UHFFFAOYSA-N",392638,NA,"PDBC40008","693218","Present",NA,NA
+"40009","N'-(3-Aminopropyl)-N'-[2-[bis[2-[bis(3-aminopropyl)amino]ethyl]amino]ethyl]propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3-Aminopropyl)-N'-[2-[bis[2-[bis(3-aminopropyl)amino]ethyl]amino]ethyl]propane-1,3-diamine",NA,"C(CN)CN(CCCN)CCN(CCN(CCCN)CCCN)CCN(CCCN)CCCN","OTDKXAKMLKPMDA-UHFFFAOYSA-N",383108,NA,"PDBC40009","671152","Present",NA,NA
+"40010","N'-(3-Chloro-1,4-dihydroxynaphthalen-2-yl)imino-N-[3-(trifluoromethyl)phenyl]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3-Chloro-1,4-dihydroxynaphthalen-2-yl)imino-N-[3-(trifluoromethyl)phenyl]oxamide",NA,"C1=CC=C2C(=C1)C(=C(C(=C2O)Cl)N=NC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O","SYJYEKNMPBQLFO-UHFFFAOYSA-N",332352,NA,"PDBC40010","329059","Present",NA,NA
+"40011","N'-(3-Chloroanilino)pyridine-3-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3-Chloroanilino)pyridine-3-carboximidamide",NA,"C1=CC(=CC(=C1)Cl)NN=C(C2=CN=CC=C2)N","VXDGEEJMQLWOHB-UHFFFAOYSA-N",9572231,NA,"PDBC40011","709085","Present",NA,NA
+"40012","N'-(3-Fluoranthenyl)-N,N-dimethyl formamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69593",NA,"CN(C)C=NC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C43","VVWXBKUIRBSTBW-UHFFFAOYSA-N",58284,NA,"PDBC40012","665664","Present",NA,NA
+"40013","N'-(3-Hydroxy-7-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-N,N-dimethylethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3-Hydroxy-7-oxo-6,7-dihydro-5H-cyclopenta[c]pyridin-1-yl)-N,N-dimethylethanimidamide",NA,"CC(=NC1=C2C(=CC(=O)N1)CCC2=O)N(C)C","MISBUZBRFGRTMZ-QPEQYQDCSA-N",6104897,NA,"PDBC40013","686472","Present",NA,NA
+"40014","N'-(3-Methylbutyl)-4-[4-[4-[N'-(3-methylbutyl)carbamimidoyl]phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-diisoamyl 4,4'-(1,4-piperazinediyl)bisbenzenecarbox...",NA,"CC(C)CCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCC(C)C)N)N.Cl","FSIDJGTTXNRQGA-UHFFFAOYSA-N",24203702,NA,"PDBC40014","729170","Present",NA,NA
+"40015","N'-(3-Oxo-2H-1,2,4-triazin-5-yl)phenazine-1-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3-Oxo-2H-1,2,4-triazin-5-yl)phenazine-1-carbohydrazide",NA,"C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)NNC4=NC(=O)NN=C4","WYMXHYOBALYAGK-UHFFFAOYSA-N",403974,NA,"PDBC40015","719922","Present",NA,NA
+"40016","N'-(4,6-Dioxo-1H-pyrimidin-2-yl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4,6-Dioxo-1H-pyrimidin-2-yl)benzenesulfonohydrazide",NA,"C1C(=O)NC(=NNS(=O)(=O)C2=CC=CC=C2)NC1=O","YGWSIPWLJPQTIY-UHFFFAOYSA-N",135450452,NA,"PDBC40016","687818","Present",NA,NA
+"40017","N'-(4-(Bis(2-cyanoethyl)amino)-2-methylbenzylidene)-5-chloro-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-(Bis(2-cyanoethyl)amino)-2-methylbenzylidene)-5-chloro-2-hydroxybenzohydrazide",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=NNC(=O)C2=C(C=CC(=C2)Cl)O","FUDSOSBTJOGGCU-AFUMVMLFSA-N",9556243,NA,"PDBC40017","681958","Present",NA,NA
+"40018","N'-(4-(Bis(2-cyanoethyl)amino)-2-methylbenzylidene)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, [[2-methyl-4-[bis(2-cyanoethyl)amino]pheny...",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=NNC(=O)C2=CC=CC=C2","ZSEGDHLISCXXDD-LFVJCYFKSA-N",9571551,NA,"PDBC40018","681968","Present",NA,NA
+"40019","N'-(4-Chloroanilino)pyrazine-2-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Chloroanilino)pyrazine-2-carboximidamide",NA,"C1=CC(=CC=C1NN=C(C2=NC=CN=C2)N)Cl","RDCPRUPOXJDSNW-UHFFFAOYSA-N",9572225,NA,"PDBC40019","709079","Present",NA,NA
+"40020","N'-(4-Chlorobenzoyl)-1,2-benzothiazole-3-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Chlorobenzoyl)-1,2-benzothiazole-3-carbohydrazide",NA,"C1=CC=C2C(=C1)C(=NS2)C(=O)NNC(=O)C3=CC=C(C=C3)Cl","QLUNKAAZTFUVIC-UHFFFAOYSA-N",374721,NA,"PDBC40020","652913","Present",NA,NA
+"40021","N'-(4-Chlorobenzoyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-N'-(4-methylphenyl)propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Chlorobenzoyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-N'-(4-methylphenyl)propanediamide",NA,"CC1=CC=C(C=C1)N(C(=O)CC(=O)NN=C(C)C2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)Cl","JDDFDBIYKXWTGB-WPWMEQJKSA-N",135499196,NA,"PDBC40021","644474","Present",NA,NA
+"40022","N'-(4-Chlorobenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Chlorobenzylidene)-2-((4,5-diphenyl-1H-imidazol-2-yl)thio)-3-methylbutanohydrazide",NA,"CC(C)C(C(=O)NN=CC1=CC=C(C=C1)Cl)SC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","FJTSPNNKJFEJEL-STBIYBPSSA-N",9555907,NA,"PDBC40022","650815","Present",NA,NA
+"40023","N'-(4-Chlorobenzylidene)-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Chlorobenzylidene)-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide",NA,"C1=CC(=CC=C1C=C2C(=O)NC(=O)N2)S(=O)(=O)NN=CC3=CC=C(C=C3)Cl","BYTNCHBYAHBYQA-SUQUQSPJSA-N",9571576,NA,"PDBC40023","683751","Present",NA,NA
+"40024","N'-(4-Cyclohexyl-5-(methylimino)-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Cyclohexyl-5-(methylimino)-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea",NA,"CN=C1N(C(=NC(=S)N(C)C)SS1)C2CCCCC2","ZNSGYXMNCUWTSE-GZEYDJJDSA-N",9569871,NA,"PDBC40024","622610","Present",NA,NA
+"40025","N'-(4-Cyclohexyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Cyclohexyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)-N,N-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=S)SS1)C2CCCCC2","ABWAJSDROQUJFX-BENRWUELSA-N",5907910,NA,"PDBC40025","622687","Present",NA,NA
+"40026","N'-(4-Fluorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Fluorophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetohydrazide",NA,"C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NNC3=CC=C(C=C3)F","HWUGMQFMAKVBQO-UHFFFAOYSA-N",232328,NA,"PDBC40026","29638","Present",NA,NA
+"40027","N'-(4-Isopropyl-1,2,4-benzothiadiazin-3-yl)p yrazine-2-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Isopropyl-1,1-dioxdido-4H-1,2,4-benzothiadiazin-3-...",NA,"CC(C)N1C2=CC=CC=C2S(=O)(=O)N=C1NNC(=O)C3=NC=CN=C3","KVPLUEWPTHKLFB-UHFFFAOYSA-N",15955468,NA,"PDBC40027","737736","Present",NA,NA
+"40028","N'-(4-Methoxy-2-methylphenyl)-N,N-dimethylformamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69604",NA,"CC1=C(C=CC(=C1)OC)N=CN(C)C","XRZYPUGVMKQLQP-UHFFFAOYSA-N",25767,NA,"PDBC40028","665671","Present",NA,NA
+"40029","N'-(4-Methoxybenzoyl)-1,2-benzothiazole-3-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Methoxybenzoyl)-1,2-benzothiazole-3-carbohydrazide",NA,"COC1=CC=C(C=C1)C(=O)NNC(=O)C2=NSC3=CC=CC=C32","XDCMEVCWKVEGSZ-UHFFFAOYSA-N",374722,NA,"PDBC40029","652914","Present",NA,NA
+"40030","N'-(4-Methoxybenzylidene)-4-((1-methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Methoxyphenyl)methylideneamino]-4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]benzenesulfonamide",NA,"CN1C(=O)C(=CC2=CC=C(C=C2)S(=O)(=O)NN=CC3=CC=C(C=C3)OC)NC1=O","SVOIJGOIZUSFFW-XAJBPTSZSA-N",9571574,NA,"PDBC40030","683749","Present",NA,NA
+"40031","N'-(4-Methoxybenzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1W-0617",NA,"COC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2","HJUAEWHFTPLOTQ-RVDMUPIBSA-N",6908543,NA,"PDBC40031","623226","Present",NA,NA
+"40032","N'-(4-Methyl-5-(5-phenyl-2,4-pentadienoyl)-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Methyl-5-(5-phenyl-2,4-pentadienoyl)-1,3-thiazol-2-yl)acetohydrazide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC=CC2=CC=CC=C2","TTZULNFOELAVHR-JMQWPVDRSA-N",5867533,NA,"PDBC40032","648586","Present",NA,NA
+"40033","N'-(4-Methylbenzylidene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3W-0615",NA,"CC1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2","QLNFPAAQLQIDCN-RVDMUPIBSA-N",9559830,NA,"PDBC40033","623223","Present",NA,NA
+"40034","N'-(4-Sulfamoylanilino)pyrazine-2-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Sulfamoylanilino)pyrazine-2-carboximidamide",NA,"C1=CC(=CC=C1NN=C(C2=NC=CN=C2)N)S(=O)(=O)N","SRZAKUVKFAQRCH-UHFFFAOYSA-N",9572224,NA,"PDBC40034","709078","Present",NA,NA
+"40035","N'-(4-Tert-Butyl-2,6-dimethylcyclohexylidene)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-Tert-Butyl-2,6-dimethylcyclohexylidene)-4-methylbenzenesulfonohydrazide",NA,"CC1CC(CC(C1=NNS(=O)(=O)C2=CC=C(C=C2)C)C)C(C)(C)C","FGSJBNDKHPRTBI-UHFFFAOYSA-N",384306,NA,"PDBC40035","673922","Present",NA,NA
+"40036","N'-(5,6-Dichloro-3-oxobicyclo[2.2.1]hept-2-ylidene)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(5,6-Dichloro-3-oxobicyclo[2.2.1]hept-2-ylidene)-4-methylbenzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3CC(C2=O)C(C3Cl)Cl","GKIQJJBVTYVJOI-LGMDPLHJSA-N",5818585,NA,"PDBC40036","647549","Present",NA,NA
+"40037","N'-(5-(3-(1,3-Benzodioxol-5-yl)-N-phenyl-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[5-[(E)-N-Anilino-C-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]carbonimidoyl]-4-methyl-1,3-thiazol-2-yl]acetohydrazide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC2=CC=CC=C2)C=CC3=CC4=C(C=C3)OCO4","YJIYIZVSNDWVOT-IOCMRUIQSA-N",135499275,NA,"PDBC40037","647606","Present",NA,NA
+"40038","N'-(5-(3-(2-Methylphenyl)acryloyl)-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(5-(3-(2-Methylphenyl)acryloyl)-1,3-thiazol-2-yl)acetohydrazide",NA,"CC1=CC=CC=C1C=CC(=O)C2=CN=C(S2)NNC(=O)C","ARUJCKNBXWPHTG-BQYQJAHWSA-N",5898853,NA,"PDBC40038","640563","Present",NA,NA
+"40039","N'-(5-(3-(3-(Hydroxy(oxido)amino)phenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(5-(3-(3-(Hydroxy(oxido)amino)phenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]","ONQVBEOFGINRMN-VOTSOKGWSA-N",5801570,NA,"PDBC40039","640590","Present",NA,NA
+"40040","N'-(5-(3-(4-(3-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[5-[(E)-3-[4-[(E)-3-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetohydrazide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C3=C(N=C(S3)NNC(=O)C)C","DMQOJXCSTNAIFR-WGDLNXRISA-N",5939022,NA,"PDBC40040","640587","Present",NA,NA
+"40041","N'-(5-(3-(4-(Hydroxy(oxido)amino)phenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-Methyl-5-[(E)-3-(4-nitrophenyl)prop-2-enehydrazonoyl]-1,3-thiazol-2-yl]acetohydrazide",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NN)C=CC2=CC=C(C=C2)[N+](=O)[O-]","IQHTWDZGXYNLKW-XKKIXLAPSA-N",5799348,NA,"PDBC40041","647604","Present",NA,NA
+"40042","N'-(5-(3-(4-Chlorophenyl)-N-(hydrazinocarbothioyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-chlorophenyl)prop-2-enylidene]amino]-3-aminothiourea",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=S)NN)C=CC2=CC=C(C=C2)Cl","ICMMDLUKXDNWCM-OWTPYQNBSA-N",135499204,NA,"PDBC40042","644734","Present",NA,NA
+"40043","N'-(5-(3-(4-Ethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(5-(3-(4-Ethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,"CCOC1=CC=C(C=C1)C=CC(=O)C2=C(N=C(S2)NNC(=O)C)C","KOBBJKFGDSBSLD-JXMROGBWSA-N",5854078,NA,"PDBC40043","640561","Present",NA,NA
+"40044","N'-(5-(3-(4-Hydroxy-3-methoxyphenyl)-N-((4-methylphenyl)sulfonyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]amino]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C=CC2=CC(=C(C=C2)O)OC)C3=C(N=C(S3)NNC(=O)C)C","BKNQIIJRZQTGHW-JDGYFEBKSA-N",135499278,NA,"PDBC40044","647609","Present",NA,NA
+"40045","N'-(5-(N-(Aminocarbonyl)-3-(4-(hydroxy(oxido)amino)phenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]urea",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=O)N)C=CC2=CC=C(C=C2)[N+](=O)[O-]","DTWUVNOOVCLIDR-IYYWNBDZSA-N",135499293,NA,"PDBC40045","648588","Present",NA,NA
+"40046","N'-(5-(N-(Aminocarbothioyl)-3-(4-(hydroxy(oxido)amino)phenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=S)N)C=CC2=CC=C(C=C2)[N+](=O)[O-]","BNIAWKZCZUSMNP-IYYWNBDZSA-N",135499281,NA,"PDBC40046","647612","Present",NA,NA
+"40047","N'-(5-(N-(Hydrazinocarbothioyl)-3-(3-(hydroxy(oxido)amino)phenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(3-nitrophenyl)prop-2-enylidene]amino]-3-aminothiourea",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=S)NN)C=CC2=CC(=CC=C2)[N+](=O)[O-]","FDKQKUSMOURFJK-XKVYGDKHSA-N",135499277,NA,"PDBC40047","647608","Present",NA,NA
+"40048","N'-(5-(N-(Hydrazinocarbothioyl)-3-(4-hydroxy-3-methoxyphenyl)-2-propenehydrazonoyl)-4-methyl-1,3-thiazol-2-yl)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(E)-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]amino]-3-aminothiourea",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=S)NN)C=CC2=CC(=C(C=C2)O)OC","ZLJRATCWBGVDDM-MDWZQWPHSA-N",135499291,NA,"PDBC40048","648584","Present",NA,NA
+"40049","N'-(5-Anilino-1,3,4-thiadiazol-2-yl)-N,N-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(5-Anilino-1,3,4-thiadiazol-2-yl)-N,N-dimethylthiourea",NA,"CN(C)C(=S)NC1=NN=C(S1)NC2=CC=CC=C2","ISAWBWHCBNERMS-UHFFFAOYSA-N",3004021,NA,"PDBC40049","622686","Present",NA,NA
+"40050","N'-(5-Bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-2-((4-oxo-3-phenyl-3,4-dihydro-2-quinazolinyl)thio)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(5-Bromo-2-oxo-indolin-3-ylidene)amino]-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N=NC4=C(NC5=C4C=C(C=C5)Br)O","ZPNCMLDTMCFQNZ-UHFFFAOYSA-N",394287,NA,"PDBC40050","697654","Present",NA,NA
+"40051","N'-(5-Bromosalicylidene)isonicotinic hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC33759",NA,"C1=CC(=C(C=C1Br)C=NNC(=O)C2=CC=NC=C2)O","UFNBDHGHPMABQB-PXNMLYILSA-N",135538346,NA,"PDBC40051","33759","Present",NA,NA
+"40052","N'-(5-Formyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfonyl-N,N-dimethylmethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(5-Formyl-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)sulfonyl-N,N-dimethylmethanimidamide",NA,"CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=CC=C3)C=O","FIIFFYLAGZRXJM-OQLLNIDSSA-N",9601322,NA,"PDBC40052","699666","Present",NA,NA
+"40053","N'-(6-Chloro-2-methoxyacridin-9-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(6-Chloro-2-methoxyacridin-9-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCNCC4=CC(=C(C(=C4)OC)OC)OC","DOXKWTFYXUYXBD-UHFFFAOYSA-N",383387,NA,"PDBC40053","671558","Present",NA,NA
+"40054","N'-(6-Chloro-7-methyl-1,1-dioxido-1,4,2-benzodithiazin-3-yl)-2-furohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(6-Chloro-7-methyl-1,1-dioxido-1,4,2-benzodithiazin-3...",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC(=O)C3=CC=CO3","CNINHRAQRJLVOU-UHFFFAOYSA-N",378499,NA,"PDBC40054","661099","Present",NA,NA
+"40055","N'-(6-Chloro-7-methyl-1,1-dioxido-1,4,2-benzodithiazin-3-yl)benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(6-Chloro-7-methyl-1,1-dioxido-1,4,2-benzodithiazin-3-yl)benzohydrazide",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC(=O)C3=CC=CC=C3","WFWOCBJXJZWHOJ-UHFFFAOYSA-N",378501,NA,"PDBC40055","661101","Present",NA,NA
+"40056","N'-(6-Chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(6-Chloro-7-methyl-1,1-dioxo-1lambda6,4,2-benzodithiazin-3-yl)pyridine-4-carbohydrazide",NA,"CC1=CC2=C(C=C1Cl)SC(=NS2(=O)=O)NNC(=O)C3=CC=NC=C3","CPJRIBKNVNGRPN-UHFFFAOYSA-N",378500,NA,"PDBC40056","661100","Present",NA,NA
+"40057","N'-(6-Methoxy-3,4-dihydro-1(2H)-naphthalenylidene)-2,4,6-trimethylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(6-Methoxy-3,4-dihydro-1(2H)-naphthalenylidene)-2,4,6-trimethylbenzenesulfonohydrazide",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)NN=C2CCCC3=C2C=CC(=C3)OC)C","GMHPMUJKNIBQPM-XUTLUUPISA-N",6104701,NA,"PDBC40057","686967","Present",NA,NA
+"40058","N'-(7-Chloro-4-methyl-1,2,4-benzothiadiazine-3-yl)nicotino hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(7-chloro-4-methyl-1,1-dioxido-4H-1,2,4-benzothiadiaz...",NA,"CN1C2=C(C=C(C=C2)Cl)S(=O)(=O)N=C1NNC(=O)C3=CN=CC=C3","XCCBVJOUAQPCAI-UHFFFAOYSA-N",24206029,NA,"PDBC40058","737738","Present",NA,NA
+"40059","N'-(8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[8-(2,3-Dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide",NA,"CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=C(C(=CC=C5)OC)OC","NXTHYSFIBXFNOD-UHFFFAOYSA-N",381361,NA,"PDBC40059","667901","Present",NA,NA
+"40060","N'-(8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[8-(2-Hydroxy-3-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide",NA,"CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=C(C(=CC=C5)OC)O","GZSNZQVDGGAGBN-UHFFFAOYSA-N",381386,NA,"PDBC40060","667926","Present",NA,NA
+"40061","N'-(8-(2-Hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(8-(2-hydroxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dio...",NA,"CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC=CC=C5O","PLWJNYSOUXYBJD-UHFFFAOYSA-N",381374,NA,"PDBC40061","667914","Present",NA,NA
+"40062","N'-(8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[8-(4-Hydroxy-3,5-dimethoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide",NA,"CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC(=C(C(=C5)OC)O)OC","JFEUSPHZFSYOGP-UHFFFAOYSA-N",383134,NA,"PDBC40062","671175","Present",NA,NA
+"40063","N'-(8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[8-(4-Methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-4-methylbenzenesulfonohydrazide",NA,"CC1C(C2=CC3=C(C=C2OC1NNS(=O)(=O)C4=CC=C(C=C4)C)OCO3)C5=CC=C(C=C5)OC","ODMPWZTVXJOXSM-UHFFFAOYSA-N",381377,NA,"PDBC40063","667917","Present",NA,NA
+"40064","N'-(9-Acridinyl)-N,N-dimethylacetamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-10318",NA,"CC(=NC1=C2C=CC=CC2=NC3=CC=CC=C31)N(C)C","XDBBURYSKRHHLN-UHFFFAOYSA-N",58601,NA,"PDBC40064","665677","Present",NA,NA
+"40065","N'-(9-Acridinyl)-N,N-dimethylformamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69544",NA,"CN(C)C=NC1=C2C=CC=CC2=NC3=CC=CC=C31","YXOSAKBHMGRAAV-UHFFFAOYSA-N",58264,NA,"PDBC40065","665673","Present",NA,NA
+"40066","N'-(9H-Carbazol-3-yl)-N,N-dimethylimidoformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(9H-carbazol-3-yl)-N,N-dimethyl-formamidine",NA,"CN(C)C=NC1=CC2=C(C=C1)NC3=CC=CC=C32","OBDWDLLWFUKRAK-UHFFFAOYSA-N",380201,NA,"PDBC40066","665666","Present",NA,NA
+"40067","N'-(9H-Carbazol-9-yl)-N,N-dimethylimidoformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-carbazol-9-yl-N,N-dimethyl-formamidine",NA,"CN(C)C=NN1C2=CC=CC=C2C3=CC=CC=C31","ZMZQESQRPVVTKB-LFIBNONCSA-N",9556163,NA,"PDBC40067","664947","Present",NA,NA
+"40068","N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-hydroxybenzohydrazide",NA,"C1=CC=C2C(=C1)C=CC(=C2C(C#N)NNC(=O)C3=CC=CC=C3O)O","ZGJPAGJTSAPEGX-UHFFFAOYSA-N",375021,NA,"PDBC40068","653847","Present",NA,NA
+"40069","N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(2-hydroxy-1-naphthyl)methyl)-2-phenylacetohydrazide",NA,"C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=C(C=CC3=CC=CC=C32)O","YYJNDSBCWFLUBU-UHFFFAOYSA-N",375004,NA,"PDBC40069","653830","Present",NA,NA
+"40070","N'-(Cyano(2-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(2-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide",NA,"C1=CC=C(C(=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)O","YCJVKSXHYKQCFQ-UHFFFAOYSA-N",375016,NA,"PDBC40070","653842","Present",NA,NA
+"40071","N'-(Cyano(2-hydroxyphenyl)methyl)-2-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(2-hydroxyphenyl)methyl)-2-phenylacetohydrazide",NA,"C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC=CC=C2O","UINAKDNGHDHMFG-UHFFFAOYSA-N",374997,NA,"PDBC40071","653823","Present",NA,NA
+"40072","N'-(Cyano(3,4,5-trimethoxyphenyl)methyl)-2-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(3,4,5-trimethoxyphenyl)methyl)-2-phenylacetohydrazide",NA,"COC1=CC(=CC(=C1OC)OC)C(C#N)NNC(=O)CC2=CC=CC=C2","YPMNMTOQBDIYOZ-UHFFFAOYSA-N",375003,NA,"PDBC40072","653829","Present",NA,NA
+"40073","N'-(Cyano(3,4-dimethoxyphenyl)methyl)-2-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(3,4-dimethoxyphenyl)methyl)-2-phenylacetohydrazide",NA,"COC1=C(C=C(C=C1)C(C#N)NNC(=O)CC2=CC=CC=C2)OC","DDTMPEKDWLRKHB-UHFFFAOYSA-N",375001,NA,"PDBC40073","653827","Present",NA,NA
+"40074","N'-(Cyano(3-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(3-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide",NA,"C1=CC=C(C(=C1)C(=O)NNC(C#N)C2=CC(=CC=C2)O)O","CAWSZEWBPPNLAJ-UHFFFAOYSA-N",375018,NA,"PDBC40074","653844","Present",NA,NA
+"40075","N'-(Cyano(3-hydroxyphenyl)methyl)-2-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(3-hydroxyphenyl)methyl)-2-phenylacetohydrazide",NA,"C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC(=CC=C2)O","DVOJGAJPUYZCCD-UHFFFAOYSA-N",375000,NA,"PDBC40075","653826","Present",NA,NA
+"40076","N'-(Cyano(4-(dimethylamino)phenyl)methyl)-2-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(4-(dimethylamino)phenyl)methyl)-2-phenylacetohydrazide",NA,"CN(C)C1=CC=C(C=C1)C(C#N)NNC(=O)CC2=CC=CC=C2","QFOJYTRVAZKGRO-UHFFFAOYSA-N",375002,NA,"PDBC40076","653828","Present",NA,NA
+"40077","N'-(Cyano(4-(hydroxy(oxido)amino)phenyl)methyl)-2-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(4-(hydroxy(oxido)amino)phenyl)methyl)-2-phenylacetohydrazide",NA,"C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC=C(C=C2)[N+](=O)[O-]","CLMMKPJCFHIAFW-UHFFFAOYSA-N",374998,NA,"PDBC40077","653824","Present",NA,NA
+"40078","N'-(Cyano(4-hydroxy-3-methoxyphenyl)methyl)-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(4-hydroxy-3-methoxyphenyl)methyl)-2-hydroxybenzohydrazide",NA,"COC1=C(C=CC(=C1)C(C#N)NNC(=O)C2=CC=CC=C2O)O","XCMGBOMIGRLWQB-UHFFFAOYSA-N",375019,NA,"PDBC40078","653845","Present",NA,NA
+"40079","N'-(Cyano(4-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(4-hydroxyphenyl)methyl)-2-hydroxybenzohydrazide",NA,"C1=CC=C(C(=C1)C(=O)NNC(C#N)C2=CC=C(C=C2)O)O","NMRCKZYOCFRXEB-UHFFFAOYSA-N",375017,NA,"PDBC40079","653843","Present",NA,NA
+"40080","N'-(Cyano(4-hydroxyphenyl)methyl)-2-phenylacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(4-hydroxyphenyl)methyl)-2-phenylacetohydrazide",NA,"C1=CC=C(C=C1)CC(=O)NNC(C#N)C2=CC=C(C=C2)O","MESZBNVENSIJMS-UHFFFAOYSA-N",374999,NA,"PDBC40080","653825","Present",NA,NA
+"40081","N'-(Cyano(phenyl)methyl)-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Cyano(phenyl)methyl)-2-hydroxybenzohydrazide",NA,"C1=CC=C(C=C1)C(C#N)NNC(=O)C2=CC=CC=C2O","XFTKNVFYPFAYMY-UHFFFAOYSA-N",375015,NA,"PDBC40081","653841","Present",NA,NA
+"40082","N'-(Furan-2-carbonyl)furan-2-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_033739",NA,"C1=COC(=C1)C(=O)NNC(=O)C2=CC=CO2","ZSZCPXMWJPLSLT-UHFFFAOYSA-N",393334,NA,"PDBC40082","695042","Present",NA,NA
+"40083","N'-(Furan-2-ylmethyl)-1H-indole-2-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Furan-2-ylmethyl)-1H-indole-2-carbohydrazide",NA,"C1=CC=C2C(=C1)C=C(N2)C(=O)NNCC3=CC=CO3","XOPMVSVMIJISLA-UHFFFAOYSA-N",399296,NA,"PDBC40083","709985","Present",NA,NA
+"40084","N'-(Mesitylmethylene)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK434534",NA,"CC1=CC(=C(C(=C1)C)C=NNS(=O)(=O)C2=CC=CC=C2)C","PGXZDRRNQRSPFM-GZTJUZNOSA-N",6908564,NA,"PDBC40084","623231","Present",NA,NA
+"40085","N'-(Naphthalen-1-ylmethyl)hexane-1,6-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Naphthalen-1-ylmethyl)hexane-1,6-diamine;hydrochloride",NA,"C1=CC=C2C(=C1)C=CC=C2CNCCCCCCN.Cl","BISQAICZRQFSHR-UHFFFAOYSA-N",370870,NA,"PDBC40085","644604","Present",NA,NA
+"40086","N'-(Phenylthiocarbamoyl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(Phenylthiocarbamoyl)-2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]thio]acetohydrazide",NA,"COC1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)NNC(=S)NC3=CC=CC=C3)C4=CC=C(C=C4)OC","KNMKIFLOUUCUAW-UHFFFAOYSA-N",5471321,NA,"PDBC40086","710442","Present",NA,NA
+"40087","N'-2,1,3-Benzoxadiazol-5-yl-N,N-dimethylimidoformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_005863",NA,"CN(C)C=NC1=CC2=NON=C2C=C1","BJGYYUDLLLYSCJ-UHFFFAOYSA-N",379415,NA,"PDBC40087","663957","Present",NA,NA
+"40088","N'-Acridin-9-yl-N-ethylethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Acridin-9-yl-N-ethylethane-1,2-diamine",NA,"CCNCCNC1=C2C=CC=CC2=NC3=CC=CC=C31","CEVLVHXFAQDRLC-UHFFFAOYSA-N",387998,NA,"PDBC40088","682361","Present",NA,NA
+"40089","N'-Acridin-9-yl-N-ethylpropane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Acridin-9-yl-N-ethylpropane-1,3-diamine",NA,"CCNCCCNC1=C2C=CC=CC2=NC3=CC=CC=C31","SJXFQZMCGNYZEP-UHFFFAOYSA-N",387999,NA,"PDBC40089","682362","Present",NA,NA
+"40090","N'-Amino-N-(diaminomethylideneamino)-2-phenylethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641606",NA,"C1=CC=C(C=C1)CC(=NN)NN=C(N)N","NVFBYAJGHVGYAQ-UHFFFAOYSA-N",5465173,NA,"PDBC40090","641606","Present",NA,NA
+"40091","N'-Benzenesulphono-N-nicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13150",NA,"C1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=CN=CC=C2","LJMCUUNDKMWSJZ-UHFFFAOYSA-N",73099,NA,"PDBC40091","13150","Present",NA,NA
+"40092","N'-Benzo[1,3]dioxol-5-ylmethyl-N,N-dimethyl-formamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Benzo[1,3]dioxol-5-ylmethyl-N,N-dimethyl-formamidine",NA,"CN(C)C=NCC1=CC2=C(C=C1)OCO2","YVOAEGCEWBVMNH-UHFFFAOYSA-N",379827,NA,"PDBC40092","664957","Present",NA,NA
+"40093","N'-Benzyl-4-[4-[4-(N'-benzylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-dibenzyl 4,4'-(1,4-piperazinediyl)bisbenzenedicarbo...",NA,"C1CN(CCN1C2=CC=C(C=C2)C(=NCC3=CC=CC=C3)N)C4=CC=C(C=C4)C(=NCC5=CC=CC=C5)N.Cl","XRIJNOSFZVKRGJ-UHFFFAOYSA-N",24202803,NA,"PDBC40093","725987","Present",NA,NA
+"40094","N'-Benzyl-N''-cyano-N,N-dimethylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-3-cyano-1,1-dimethylguanidine",NA,"CN(C)C(=NCC1=CC=CC=C1)NC#N","ZUAXTXXTCHMKNT-UHFFFAOYSA-N",373923,NA,"PDBC40094","650953","Present",NA,NA
+"40095","N'-Benzyl-N,N-dibutyl-N''-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Benzyl-N,N-dibutyl-N''-cyanoguanidine",NA,"CCCCN(CCCC)C(=NCC1=CC=CC=C1)NC#N","SPKPUQMAOBTDDX-UHFFFAOYSA-N",373924,NA,"PDBC40095","650954","Present",NA,NA
+"40096","N'-Benzylidene-2,3,4,5,6-pentafluorobenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Benzylidene-2,3,4,5,6-pentafluorobenzohydrazide",NA,"C1=CC=C(C=C1)C=NNC(=O)C2=C(C(=C(C(=C2F)F)F)F)F","HADIVCVQIQBUPF-CGOBSMCZSA-N",9571490,NA,"PDBC40096","671893","Present",NA,NA
+"40097","N'-Benzylidene-2-((3-ethyl-4-oxo-3,4-dihydro-2-quinazolinyl)thio)acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, 2-[(3-ethyl-3,4-dihydro-4-oxo- 2-quinazolin...",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC=CC=C3","SVHMJVCNNBOTLB-UDWIEESQSA-N",9571605,NA,"PDBC40097","686367","Present",NA,NA
+"40098","N'-Benzylidene-2-(methylthio)imidazo[2,1-a]isoquinoline-3-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Benzylidene-2-(methylthio)imidazo[2,1-a]isoquinoline-3-carbohydrazide",NA,"CSC1=C(N2C=CC3=CC=CC=C3C2=N1)C(=O)NN=CC4=CC=CC=C4","WTKOEWWTPGFMGH-FYJGNVAPSA-N",9571608,NA,"PDBC40098","686660","Present",NA,NA
+"40099","N'-Benzylidene-4-((1-methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Benzylidene-4-((1-methyl-2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide",NA,"CN1C(=O)C(=CC2=CC=C(C=C2)S(=O)(=O)NN=CC3=CC=CC=C3)NC1=O","CHXSPISSSOQPOX-XRWSEXJESA-N",9571572,NA,"PDBC40099","683747","Present",NA,NA
+"40100","N'-Benzylidene-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Benzylidene-4-((2,5-dioxo-4-imidazolidinylidene)methyl)benzenesulfonohydrazide",NA,"C1=CC=C(C=C1)C=NNS(=O)(=O)C2=CC=C(C=C2)C=C3C(=O)NC(=O)N3","UEVVJSUCCBFDOD-ODXRKRKHSA-N",9571571,NA,"PDBC40100","683746","Present",NA,NA
+"40101","N'-Carbamimidoyl-2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Carbamimidoyl-2-chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,"COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)C(=NC(=N)N)N)OC)[N+](=O)[O-].Cl","RCMMAAQSOWONSK-UHFFFAOYSA-N",24202932,NA,"PDBC40101","726311","Present",NA,NA
+"40102","N'-Carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Carbamimidoyl-6-(2,5-dihydroxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,"C1=CC(=C(C=C1O)C2=C(N3C=CSC3=N2)C(=NC(=N)N)N)O.Cl","LHDAIQUFZHUUII-UHFFFAOYSA-N",135436458,NA,"PDBC40102","725103","Present",NA,NA
+"40103","N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,"COC1=CC(=C(C=C1C2=C(N3CCSC3=N2)C(=NC(=N)N)N)OC)[N+](=O)[O-].Cl","WOOBXCKNSVKASR-UHFFFAOYSA-N",24202930,NA,"PDBC40103","726310","Present",NA,NA
+"40104","N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,"CC1=C(SC2=NC(=C(N12)C(=NC(=N)N)N)C3=CC(=C(C=C3OC)[N+](=O)[O-])OC)C.Cl","CRMSNPKJWZBDKT-UHFFFAOYSA-N",24202940,NA,"PDBC40104","726315","Present",NA,NA
+"40105","N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Carbamimidoyl-6-(2,5-dimethoxy-4-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3OC)[N+](=O)[O-])OC)C(=NC(=N)N)N.Cl","DTKROJJXYPVUCZ-UHFFFAOYSA-N",24202934,NA,"PDBC40105","726312","Present",NA,NA
+"40106","N'-Carbamimidoyl-6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Carbamimidoyl-6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carboximidamide;hydrochloride",NA,"COC1=C(C=C(C=C1)C2=C(N3C=CSC3=N2)C(=NC(=N)N)N)OC.Cl","UAHSNMKLIOYNOW-UHFFFAOYSA-N",9572737,NA,"PDBC40106","725104","Present",NA,NA
+"40107","N'-Carbamothioyl-N-(2,6-dimethylphenyl)butanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Carbamothioyl-N-(2,6-dimethylphenyl)butanediamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NC(=S)N","YXEVKMIOGLDXSK-UHFFFAOYSA-N",3004121,NA,"PDBC40107","630296","Present",NA,NA
+"40108","N'-Cyclododecylidene-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclododecanone tosylhydrazone",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCCCCCCCC2","LZGAEDSSYGTHLW-UHFFFAOYSA-N",380698,NA,"PDBC40108","666403","Present",NA,NA
+"40109","N'-Cycloheptyl-4-[4-[4-(N'-cycloheptylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-dicycloheptyl 4,4'-(1,4-piperazinediyl)bisbenzeneca...",NA,"C1CCCC(CC1)N=C(C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=NC5CCCCCC5)N)N.Cl","OJCVNSPPFQMPMW-UHFFFAOYSA-N",24203696,NA,"PDBC40109","729164","Present",NA,NA
+"40110","N'-Cyclohexylidene-5-fluoro-3-phenyl-1H-indole-2-carbohydraz ide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-cyclohexylidene-5-fluoro-3-phenyl-1H-indole-2-carbohy...",NA,"C1CCC(=NNC(=O)C2=C(C3=C(N2)C=CC(=C3)F)C4=CC=CC=C4)CC1","GDXZUXVEDUAWJR-UHFFFAOYSA-N",24205864,NA,"PDBC40110","737030","Present",NA,NA
+"40111","N'-Cyclooctyl-4-[4-[4-(N'-cyclooctylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-dicyclooctyl 4,4'-(1,4-piperazinediyl)bisbenzenecar...",NA,"C1CCCC(CCC1)N=C(C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)C(=NC5CCCCCCC5)N)N.Cl","UJROTHOAEMBEOB-UHFFFAOYSA-N",24203701,NA,"PDBC40111","729169","Present",NA,NA
+"40112","N'-Decyl-4-[4-[4-(N'-decylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-didecyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxim...",NA,"CCCCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCCCC)N)N.Cl","LYLJINVMDWJQIM-UHFFFAOYSA-N",24203698,NA,"PDBC40112","729166","Present",NA,NA
+"40113","N'-Dihydro-2H-pyran-3(4H)-ylidene-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Dihydro-2H-pyran-3(4H)-ylidene-4-methylbenzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCOC2","MXIWQUZCROYPLE-QBFSEMIESA-N",9571459,NA,"PDBC40113","666400","Present",NA,NA
+"40114","N'-Dodecyl-4-[4-[4-(N'-dodecylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-didodecyl 4,4'-(1,4-piperazinediyl)bisbenzenecarbox...",NA,"CCCCCCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCCCCCC)N)N.Cl","MLMOUIILOYIQGU-UHFFFAOYSA-N",24203703,NA,"PDBC40114","729171","Present",NA,NA
+"40115","N'-Ethanethioylpyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Ethanethioylisonicotinohydrazide",NA,"CC(=S)NNC(=O)C1=CC=NC=C1","YJFZPMQMBGBOCK-UHFFFAOYSA-N",3000600,NA,"PDBC40115","636366","Present",NA,NA
+"40116","N'-Ethoxy-1-benzyl-5-(2,2-diethoxyethylamino)imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Ethoxy-1-benzyl-5-(2,2-diethoxyethylamino)imidazole-4...",NA,"CCOC(CNC1=C(N=CN1CC2=CC=CC=C2)C(=NOCC)N)OCC","AFKZGIOSHMUILX-UHFFFAOYSA-N",135499227,NA,"PDBC40116","645088","Present",NA,NA
+"40117","N'-Heptyl-4-[4-[4-(N'-heptylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-diheptyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxi...",NA,"CCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCC)N)N.Cl","HBNMZKAFRGCBQR-UHFFFAOYSA-N",24203700,NA,"PDBC40117","729168","Present",NA,NA
+"40118","N'-Methyl-N-[(1-methylbenzo[g]indol-3-yl)methyl]-N'-[2-[(1-methylbenzo[g]indol-3-yl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Methyl-N-[(1-methylbenzo[g]indol-3-yl)methyl]-N'-[2-[(1-methylbenzo[g]indol-3-yl)methylamino]ethyl]ethane-1,2-diamine;hydrochloride",NA,"CN1C=C(C2=C1C3=CC=CC=C3C=C2)CNCCN(C)CCNCC4=CN(C5=C4C=CC6=CC=CC=C65)C.Cl","WLSJHPBDELRRJI-UHFFFAOYSA-N",397212,NA,"PDBC40118","704621","Present",NA,NA
+"40119","N'-Methylsulfonylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Methylsulfonylbenzenesulfonohydrazide",NA,"CS(=O)(=O)NNS(=O)(=O)C1=CC=CC=C1","NZRCHFUOJKRCRE-UHFFFAOYSA-N",367388,NA,"PDBC40119","637077","Present",NA,NA
+"40120","N'-Nonyl-4-[4-[4-(N'-nonylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-dinonyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxim...",NA,"CCCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCCC)N)N.Cl","SZBGSTKMCMIKEK-UHFFFAOYSA-N",24203699,NA,"PDBC40120","729167","Present",NA,NA
+"40121","N'-Octyl-4-[4-[4-(N'-octylcarbamimidoyl)phenyl]piperazin-1-yl]benzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-dioctyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxim...",NA,"CCCCCCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCCCCCC)N)N.Cl","XOTCJTCWGZKLRG-UHFFFAOYSA-N",24203697,NA,"PDBC40121","729165","Present",NA,NA
+"40122","N'-Phenylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NLEOEXCPIKOHJB-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)NNS(=O)(=O)C2=CC=CC=C2","NLEOEXCPIKOHJB-UHFFFAOYSA-N",347804,NA,"PDBC40122","406666","Present",NA,NA
+"40123","N'-Tert-butyl-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Tert-butyl-3-(4,5-dichloro-3,6-dioxo-1H-pyridazin-2-yl)propanehydrazide",NA,"CC(C)(C)NNC(=O)CCN1C(=O)C(=C(C(=O)N1)Cl)Cl","SPZHRMWUYFFALS-UHFFFAOYSA-N",364796,NA,"PDBC40123","631555","Present",NA,NA
+"40124","N'-Tert-butyl-N-cyclohexyl-N-(2,2-diphenylethenyl)methanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Tert-butyl-N-cyclohexyl-N-(2,2-diphenylethenyl)methanimidamide",NA,"CC(C)(C)N=CN(C=C(C1=CC=CC=C1)C2=CC=CC=C2)C3CCCCC3","YCPJMVRLWPQQBI-UHFFFAOYSA-N",359361,NA,"PDBC40124","620172","Present",NA,NA
+"40125","N'-[(1E)-(4-Methoxyphenyl)methylene]-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Methoxyphenyl)methylideneamino]-3-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-6-carboxamide",NA,"CN1C(=O)C2=C(NC1=O)N=CC(=C2)C(=O)NN=CC3=CC=C(C=C3)OC","GPCBYMAWJPGNSV-UFWORHAWSA-N",9571570,NA,"PDBC40125","683613","Present",NA,NA
+"40126","N'-[(1E)-2-[(Dimethylamino)methyl]-3-(4-hydroxy-2-oxo-2H-chromen-3-yl)-1-methyl-3-phenylpropylidene]-4-methylbenzenesulfonohydrazide hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[3-[(Dimethylamino)methyl]-4-(4-hydroxy-2-oxochromen-3-yl)-4-phenylbutan-2-ylidene]amino]-4-methylbenzenesulfonamide;hydrochloride",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C(CN(C)C)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","SYHQRCSEHUZGGS-BNCTYUPTSA-N",54681746,NA,"PDBC40126","647428","Present",NA,NA
+"40127","N'-[(2Z)-3,5-Dimethyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-(3-Ethyl-5-methyl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide",NA,"CCN1C(=O)C(SC1=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC)C","AVRQOBSJGKPFJG-UZYVYHOESA-N",9572031,NA,"PDBC40127","691529","Present",NA,NA
+"40128","N'-[(2Z)-3-Allyl-4-oxo-1,3-thiazolidin-2-ylidene]-2-[(3-ethyl-4-oxo-3,4-dihydroquinazolin-2-yl)thio]acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(Z)-(4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene)amino]acetamide",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=C3N(C(=O)CS3)CC=C","DLXWUDSTKSLEEV-UZYVYHOESA-N",9572029,NA,"PDBC40128","691527","Present",NA,NA
+"40129","N'-[(3,4-Dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(3,4-Dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide",NA,"CN(CCN1CCCC1)CCN(C)CC2=CC(=C(C=C2)Cl)Cl.Br","FHYXHSWLITYDFQ-UHFFFAOYSA-N",398577,NA,"PDBC40129","708546","Present",NA,NA
+"40130","N'-[(3,4-Dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(3,4-Dichlorophenyl)methyl]-N,N'-dimethyl-N-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine;hydrobromide",NA,"CN(CCCN(C)CC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2.Br","PGMAICGVXNFMKK-UHFFFAOYSA-N",398587,NA,"PDBC40130","708551","Present",NA,NA
+"40131","N'-[(3Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5,6-dioxopiperidin-3-ylidene]-2-cyanoacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-(1,3-Benzothiazol-2-yl)-1-(2,5-dimethylphenyl)-5,6-dioxopiperidin-3-ylidene]amino]-2-cyanoacetamide",NA,"CC1=CC(=C(C=C1)C)N2CC(=NNC(=O)CC#N)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","GAMXJKYDOOXCOF-WGOQTCKBSA-N",9569895,NA,"PDBC40131","623048","Present",NA,NA
+"40132","N'-[(3Z)-4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-(1,3-Benzothiazol-2-yl)-1-(2,6-dimethylphenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]-2-hydroxybenzamide",NA,"CC1=C(C(=CC=C1)C)N2C(=O)C(=NNC(=O)C3=CC=CC=C3O)C(C(=O)C2=O)C4=NC5=CC=CC=C5S4","RMXTVFZMTXEHGA-ANYBSYGZSA-N",9555810,NA,"PDBC40132","631520","Present",NA,NA
+"40133","N'-[(3Z)-4-(1,3-Benzoxazol-2-yl)-1-(4-chlorophenyl)-2,5,6-trioxopiperidin-3-ylidene]-2-cyanoacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-(1,3-Benzoxazol-2-yl)-1-(4-chlorophenyl)-2,5,6-trioxopiperidin-3-ylidene]amino]-2-cyanoacetamide",NA,"C1=CC=C2C(=C1)N=C(O2)C3C(=NNC(=O)CC#N)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl","WSXRGMYFBVJKDE-ONUIUJJFSA-N",9569896,NA,"PDBC40133","623053","Present",NA,NA
+"40134","N'-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]-N-[3-(trifluoromethyl)phenyl]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]-N-[3-(trifluoromethyl)phenyl]oxamide",NA,"C1=CC(=CC(=C1)NC(=O)C(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O)C(F)(F)F","HXUWPLXXCCKXCI-UHFFFAOYSA-N",330961,NA,"PDBC40134","320867","Present",NA,NA
+"40135","N'-[(E)-1-(4-Hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-1-(4-Hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]oxamide",NA,"CC1=CC(=C(C(=O)O1)C(=NNC(=O)C(=O)N)C)O","ZNZGPECDPJDWJN-LFYBBSHMSA-N",135455595,NA,"PDBC40135","618490","Present",NA,NA
+"40136","N'-[(E)-1-Phenylpropylidene]benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623227",NA,"CCC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2","XDQDZXNISIVDCT-FOCLMDBBSA-N",5464909,NA,"PDBC40136","623227","Present",NA,NA
+"40137","N'-[(E)-[(2R)-2-(3-Methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-[(2R)-2-(3-Methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide",NA,"CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CC(NC3=CC=CC=C23)C4=CC(=CC=C4)OC","KCRLNXQTWQLXKK-GPVILSQPSA-N",135505172,NA,"PDBC40137","700264","Present",NA,NA
+"40138","N'-[(E)-[(2S)-2-(3-Methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-[(2S)-2-(3-Methoxyphenyl)-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide",NA,"CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CC(NC3=CC=CC=C23)C4=CC(=CC=C4)OC","KCRLNXQTWQLXKK-ZYDDJUIZSA-N",135505170,NA,"PDBC40138","700261","Present",NA,NA
+"40139","N'-[(E)-[(2S)-2-Phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-[(2S)-2-Phenyl-2,3-dihydro-1H-quinolin-4-ylidene]amino]-N-(1-phenylethyl)oxamide",NA,"CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CC(NC3=CC=CC=C23)C4=CC=CC=C4","KSMXVBWVKOAUPU-NSXHUUFXSA-N",135510060,NA,"PDBC40139","622611","Present",NA,NA
+"40140","N'-[(E)-[(6S)-6-(3-Methoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(E)-[(6S)-6-(3-Methoxyphenyl)-6,7-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-8-ylidene]amino]-N-[(1S)-1-phenylethyl]oxamide",NA,"CC(C1=CC=CC=C1)NC(=O)C(=O)NN=C2CC(NC3=CC4=C(C=C23)OCO4)C5=CC(=CC=C5)OC","DQCYPSWFLGWNBO-LOPUPNDHSA-N",135505171,NA,"PDBC40140","700262","Present",NA,NA
+"40141","N'-[(Z)-(6-Methyl-2,4-dioxopyran-3-ylidene)methyl]ethanedithioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)ethanedithioamide",NA,"CC1=CC(=C(C(=O)O1)C=NC(=S)C(=S)N)O","MRRBKEDDLVXBBX-UHFFFAOYSA-N",135409075,NA,"PDBC40141","657588","Present",NA,NA
+"40142","N'-[(Z)-[1-(Furan-2-yl)-6-(4-methoxyanilino)-1,6-dioxohexan-3-ylidene]amino]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(Z)-[1-(Furan-2-yl)-6-(4-methoxyanilino)-1,6-dioxohexan-3-ylidene]amino]oxamide",NA,"COC1=CC=C(C=C1)NC(=O)CCC(=NNC(=O)C(=O)N)CC(=O)C2=CC=CO2","PJNJBPXCAPECFC-XKZIYDEJSA-N",6297773,NA,"PDBC40142","631666","Present",NA,NA
+"40143","N'-[(Z)-[2-(7-Chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[(Z)-[2-(7-Chloro-3-hydroxy-2-oxo-1H-indol-3-yl)-1,2-bis(4-methoxyphenyl)ethylidene]amino]oxamide",NA,"COC1=CC=C(C=C1)C(C(=NNC(=O)C(=O)N)C2=CC=C(C=C2)OC)C3(C4=C(C(=CC=C4)Cl)NC3=O)O","UMXSRMJVZMCNDB-MWAVMZGNSA-N",5924229,NA,"PDBC40143","632019","Present",NA,NA
+"40144","N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]-N-[2-(3,4-dichlorophenyl)ethyl]ethane-1,2-diamine;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]-N-[2-(3,4-dichlorophenyl)ethyl]ethane-1,2-diamine;(E)-but-2-enedioic acid",NA,"C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NCCNCCC4=CC(=C(C=C4)Cl)Cl.C(=CC(=O)O)C(=O)O","ZNRGMADMLPFESA-WLHGVMLRSA-N",54611439,NA,"PDBC40144","708077","Present",NA,NA
+"40145","N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]-N-methylpropane-1,3-diamine;(E)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]-N-methylpropane-1,3-diamine;(E)-but-2-enedioic acid",NA,"CNCCCNC1(CCCCC1)C2=CC3=CC=CC=C3S2.C(=CC(=O)O)C(=O)O","HIHUVUVMNANRQK-WLHGVMLRSA-N",54611499,NA,"PDBC40145","708074","Present",NA,NA
+"40146","N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]butane-1,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]butane-1,4-diamine;hydrochloride",NA,"C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NCCCCN.Cl","WAVAHIWRZJGDQU-UHFFFAOYSA-N",398354,NA,"PDBC40146","708076","Present",NA,NA
+"40147","N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]propane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(1-Benzothiophen-2-yl)cyclohexyl]propane-1,3-diamine;hydrochloride",NA,"C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NCCCN.Cl","YURIOCXKUQEFOA-UHFFFAOYSA-N",398352,NA,"PDBC40147","708075","Present",NA,NA
+"40148","N'-[1-(1-Hydroxynaphthalen-2-yl)ethylidene]pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(1-hydroxynaphthalen-2-yl)ethylidene]pyridine-4-ca...",NA,"CC(=NNC(=O)C1=CC=NC=C1)C2=C(C3=CC=CC=C3C=C2)O","WTXWEZCDRDKRNU-UDWIEESQSA-N",135408622,NA,"PDBC40148","54044","Present",NA,NA
+"40149","N'-[1-(2,4-Dihydroxyphenyl)ethylidene]isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(2,4-Dihydroxyphenyl)ethylidene]isonicotinohydrazide",NA,"CC(=NNC(=O)C1=CC=NC=C1)C2=C(C=C(C=C2)O)O","FLYFTBZHRIAXCH-CXUHLZMHSA-N",135408621,NA,"PDBC40149","54042","Present",NA,NA
+"40150","N'-[1-(2,4-Dimethoxyphenyl)ethyl]pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(2,4-Dimethoxyphenyl)ethyl]pyridine-4-carbohydrazide",NA,"CC(C1=C(C=C(C=C1)OC)OC)NNC(=O)C2=CC=NC=C2","GEQQTRPYXXTMRI-UHFFFAOYSA-N",383898,NA,"PDBC40150","672809","Present",NA,NA
+"40151","N'-[1-(2,4-Dimethoxyphenyl)ethylidene]isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(2,4-Dimethoxyphenyl)ethylidene]isonicotinohydrazide",NA,"CC(=NNC(=O)C1=CC=NC=C1)C2=C(C=C(C=C2)OC)OC","QHSSBHINFGXAPX-WOJGMQOQSA-N",9555932,NA,"PDBC40151","655519","Present",NA,NA
+"40152","N'-[1-(2-Hydroxyphenyl)ethylidene]isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37379",NA,"CC(=NNC(=O)C1=CC=NC=C1)C2=CC=CC=C2O","MAOCCGZSMYLPJX-MHWRWJLKSA-N",135408522,NA,"PDBC40152","37379","Present",NA,NA
+"40153","N'-[1-(2-Pyridinyl)ethylidene]-1-piperidinecarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BRD-K58304294-001-01-5",NA,"CC(=NNC(=S)N1CCCCC1)C2=CC=CC=N2","JLQJXIRORURHRB-RVDMUPIBSA-N",5484390,NA,"PDBC40153","289098","Present",NA,NA
+"40154","N'-[1-(3,4-Dichlorophenyl)ethyl]pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(3,4-Dichlorophenyl)ethyl]pyridine-4-carbohydrazide",NA,"CC(C1=CC(=C(C=C1)Cl)Cl)NNC(=O)C2=CC=NC=C2","LDQXQZDEPQBVDL-UHFFFAOYSA-N",383895,NA,"PDBC40154","672806","Present",NA,NA
+"40155","N'-[1-(3,4-Dimethoxyphenyl)ethyl]pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(3,4-Dimethoxyphenyl)ethyl]pyridine-4-carbohydrazide",NA,"CC(C1=CC(=C(C=C1)OC)OC)NNC(=O)C2=CC=NC=C2","RANIGMSYOXBQJX-UHFFFAOYSA-N",383899,NA,"PDBC40155","672810","Present",NA,NA
+"40156","N'-[1-(3-Fluoro-4-methoxyphenyl)ethyl]pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(3-Fluoro-4-methoxyphenyl)ethyl]pyridine-4-carbohydrazide",NA,"CC(C1=CC(=C(C=C1)OC)F)NNC(=O)C2=CC=NC=C2","PRCAKEJOOZHBJD-UHFFFAOYSA-N",383897,NA,"PDBC40156","672808","Present",NA,NA
+"40157","N'-[1-(4-Fluorophenyl)ethyl]pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(4-Fluorophenyl)ethyl]pyridine-4-carbohydrazide",NA,"CC(C1=CC=C(C=C1)F)NNC(=O)C2=CC=NC=C2","KVSUZWIAOJJUHO-UHFFFAOYSA-N",385617,NA,"PDBC40157","676922","Present",NA,NA
+"40158","N'-[1-(6-Chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)-2-(furan-2-yl)-2-hydroxyethylidene]-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-(6-Chloro-3-oxo-3,4-dihydroquinoxalin-2-yl)-2-(fur...",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(C4=CC=CO4)O","AOFZSBFZBLTBOC-XIEYBQDHSA-N",135499252,NA,"PDBC40158","647081","Present",NA,NA
+"40159","N'-[1-[3-(Trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[1-[3-(Trifluoromethyl)phenyl]ethyl]pyridine-4-carbohydrazide",NA,"CC(C1=CC(=CC=C1)C(F)(F)F)NNC(=O)C2=CC=NC=C2","HOLGGBLXWXDABY-UHFFFAOYSA-N",383894,NA,"PDBC40159","672805","Present",NA,NA
+"40160","N'-[2-(1,3-Benzodioxol-5-yl)-4-hydroxy-5-imino-2,5-dihydrofuran-3-yl]benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[2-(1,3-Benzodioxol-5-yl)-4-hydroxy-5-imino-2,5-dihydrofuran-3-yl]benzenesulfonohydrazide",NA,"C1OC2=C(O1)C=C(C=C2)C3C(=NNS(=O)(=O)C4=CC=CC=C4)C(=C(O3)N)O","XANQUOMWIBGPKR-RGEXLXHISA-N",5925293,NA,"PDBC40160","640354","Present",NA,NA
+"40161","N'-[2-(1,3-Benzoxazol-2-ylamino)-6-methylpyrimidin-4-yl]-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[2-(1,3-Benzoxazol-2-ylamino)-6-methylpyrimidin-4-yl]-2-hydroxybenzohydrazide",NA,"CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3O2)NNC(=O)C4=CC=CC=C4O","PAPBSZJINJNVHO-UHFFFAOYSA-N",24205702,NA,"PDBC40161","736401","Present",NA,NA
+"40162","N'-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N-(3-pyrrolidin-1-ylpropyl)propane-1,3-diamine;hydrobromide",NA,"CN(CCCN1CCCC1)CCCN(C)CCC2=CC(=C(C=C2)Cl)Cl.Br","ZIVOBJVOMHAZFV-UHFFFAOYSA-N",398581,NA,"PDBC40162","708548","Present",NA,NA
+"40163","N'-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butane-1,4-diamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N-(4-pyrrolidin-1-ylbutyl)butane-1,4-diamine;hydrobromide",NA,"CN(CCCCN1CCCC1)CCCCN(C)CCC2=CC(=C(C=C2)Cl)Cl.Br","SAJDFXCTCCWXLD-UHFFFAOYSA-N",398579,NA,"PDBC40163","708547","Present",NA,NA
+"40164","N'-[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]benzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]benzohydrazide",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC(=O)C4=CC=CC=C4","VFXKHWXPDLGZCY-UHFFFAOYSA-N",402032,NA,"PDBC40164","715727","Present",NA,NA
+"40165","N'-[2-[(3,5-Dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]phenazine-1-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[2-[(3,5-Dioxo-2H-1,2,4-triazin-6-yl)sulfanyl]acetyl]phenazine-1-carbohydrazide",NA,"C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)NNC(=O)CSC4=NNC(=O)NC4=O","SKWVPBBTBXDBEC-UHFFFAOYSA-N",403977,NA,"PDBC40165","719925","Present",NA,NA
+"40166","N'-[2-[[(Z)-4-[2-(3-Aminopropylamino)ethyldisulfanyl]but-2-enyl]disulfanyl]ethyl]propane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624170///NSC624171",NA,"C(CN)CNCCSSCC=CCSSCCNCCCN.Cl","LOZBFJHKCVQZMU-ODZAUARKSA-N",5387490,NA,"PDBC40166","624170///624171","Present",NA,NA
+"40167","N'-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[3,5-Bis(trifluoromethyl)phenyl]sulfonyl-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbohydrazide",NA,"C1=CC(=CC=C1N2C(=C(C=N2)C(=O)NNS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(F)(F)F)Cl","ZGOQOYLFMADOMX-UHFFFAOYSA-N",2808268,NA,"PDBC40167","742826","Present",NA,NA
+"40168","N'-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)propyl]-N'-methylpropane-1,3-diamine",NA,"CN(CCCN)CCCNC1=NC2=CC=CC=C2C3=C1C4=CC=CC=C4N3","KKQPCTDVEDKULV-UHFFFAOYSA-N",24205777,NA,"PDBC40168","736612","Present",NA,NA
+"40169","N'-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)propyl]propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[3-(11H-Indolo[3,2-c]quinolin-6-ylamino)propyl]propane-1,3-diamine",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCCNCCCN","ZTGIGQNMIURYRU-UHFFFAOYSA-N",24205776,NA,"PDBC40169","736611","Present",NA,NA
+"40170","N'-[3-(3-Aminopropylamino)propyl]propane-1,3-diamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[3-(3-Aminopropylamino)propyl]propane-1,3-diamine;hydrobromide",NA,"C(CN)CNCCCNCCCN.Br","UIIIHBJGAJYZMR-UHFFFAOYSA-N",398090,NA,"PDBC40170","707454","Present",NA,NA
+"40171","N'-[3-(Chloromethyl)-1-methylsulfonyl-2,3-dihydroindol-6-yl]ethane-1,2-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[3-(Chloromethyl)-1-methylsulfonyl-2,3-dihydroindol-6-yl]ethane-1,2-diamine;hydrochloride",NA,"CS(=O)(=O)N1CC(C2=C1C=C(C=C2)NCCN)CCl.Cl","OOZVTPBORYPNJX-UHFFFAOYSA-N",389317,NA,"PDBC40171","685227","Present",NA,NA
+"40172","N'-[3-(Hexadecylamino)propyl]-N'-methylpropane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[3-(Hexadecylamino)propyl]-N'-methylpropane-1,3-diamine",NA,"CCCCCCCCCCCCCCCCNCCCN(C)CCCN","YXAXRWKOQLUXCW-UHFFFAOYSA-N",369998,NA,"PDBC40172","642550","Present",NA,NA
+"40173","N'-[3-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Tris(3-aminopropoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]propyl]propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[3-[[(4R)-4-[(3R,5R,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-Tris(3-aminopropoxy)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentyl]amino]propyl]p",NA,"CC(CCCNCCCNCCCN)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCCN)C)OCCCN)OCCCN)C","AUUTYQUDFHNMLF-LUQWFGBKSA-N",24205349,NA,"PDBC40173","735212","Present",NA,NA
+"40174","N'-[4-(1,3-Benzothiazol-2-yl)-2,5,6-trioxo-1-(1,3-thiazol-2-yl)piperidin-3-ylidene]-2-hydroxybenzohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-(1,3-Benzothiazol-2-yl)-2,5,6-trioxo-1-(1,3-thiazol-2-yl)piperidin-3-ylidene]amino]-2-hydroxybenzamide",NA,"C1=CC=C(C(=C1)C(=O)NN=C2C(C(=O)C(=O)N(C2=O)C3=NC=CS3)C4=NC5=CC=CC=C5S4)O","AFOVBFGUFQEADK-XYGWBWBKSA-N",9555785,NA,"PDBC40174","623765","Present",NA,NA
+"40175","N'-[4-(4-Nitroanilino)-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[4-(4-Nitroanilino)-6-[2-(2-phenylacetyl)hydrazino]-1,3,5-triazin-2-yl]pyridine-4-carbohydrazide",NA,"C1=CC=C(C=C1)CC(=O)NNC2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])NNC(=O)C4=CC=NC=C4","CBXCJQGEQQMSQA-UHFFFAOYSA-N",11979372,NA,"PDBC40175","660831","Present",NA,NA
+"40176","N'-[5-Cyano-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidin-2-yl]acetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[5-Cyano-1-methyl-4-(4-nitrophenyl)-6-oxopyrimidin-2-yl]acetohydrazide",NA,"CC(=O)NNC1=NC(=C(C(=O)N1C)C#N)C2=CC=C(C=C2)[N+](=O)[O-]","HLJHELUUMGFSFE-UHFFFAOYSA-N",5472891,NA,"PDBC40176","722321","Present",NA,NA
+"40177","N'-[5-Formyl-6-(2-oxochromen-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[5-Formyl-6-(2-oxochromen-3-yl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide",NA,"CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC4=CC=CC=C4OC3=O)C=O","LXYWIOXQGRZBOI-GIJQJNRQSA-N",9601323,NA,"PDBC40177","699669","Present",NA,NA
+"40178","N'-[5-Formyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[5-Formyl-6-(4-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide",NA,"CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)[N+](=O)[O-])C=O","PJBIYCFFSDKDFJ-OVCLIPMQSA-N",9556375,NA,"PDBC40178","699668","Present",NA,NA
+"40179","N'-[5-Formyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[5-Formyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide",NA,"CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)C4=CC=CC=C4)C=O","MIULDYSRBPMQEI-FYJGNVAPSA-N",9601325,NA,"PDBC40179","699671","Present",NA,NA
+"40180","N'-[5-Formyl-6-[5-(4-nitrophenyl)furan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[5-Formyl-6-[5-(4-nitrophenyl)furan-2-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide",NA,"CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-])C=O","ULLRDSBDZSEJER-VXLYETTFSA-N",9601324,NA,"PDBC40180","699670","Present",NA,NA
+"40181","N'-[6-(4-Chlorophenyl)-5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[6-(4-Chlorophenyl)-5-formylimidazo[2,1-b][1,3,4]thiadiazol-2-yl]sulfonyl-N,N-dimethylmethanimidamide",NA,"CN(C)C=NS(=O)(=O)C1=NN2C(=C(N=C2S1)C3=CC=C(C=C3)Cl)C=O","OWWLPPXVCJSSED-LZYBPNLTSA-N",9556374,NA,"PDBC40181","699667","Present",NA,NA
+"40182","N'-{(1E)-[4,5-Bis(2-chlorophenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-{(1E)-[4,5-Bis(2-chlorophenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C(=C(O2)C3=CC=CC=C3Cl)C4=CC=CC=C4Cl)[N+](=O)[O-]","CQDNVKPMJNYADB-MZJWZYIUSA-N",9555882,NA,"PDBC40182","647122","Present",NA,NA
+"40183","N'-{(1E)-[4,5-Bis(4-ethoxyphenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-{(1E)-[4,5-Bis(4-ethoxyphenyl)-3-nitro-2-furyl]methylene}-4-methylbenzenesulfonohydrazide",NA,"CCOC1=CC=C(C=C1)C2=C(OC(=C2[N+](=O)[O-])C=NNS(=O)(=O)C3=CC=C(C=C3)C)C4=CC=C(C=C4)OCC","IDJTUCWSTXIVPE-RDRPBHBLSA-N",9555880,NA,"PDBC40183","647120","Present",NA,NA
+"40184","N'-{(E)-1-[3-(Trifluoromethyl)phenyl]ethylidene}isonicotinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-{(E)-1-[3-(Trifluoromethyl)phenyl]ethylidene}isonicotinohydrazide",NA,"CC(=NNC(=O)C1=CC=NC=C1)C2=CC(=CC=C2)C(F)(F)F","KIDKVXVJNIJPAZ-KEBDBYFISA-N",9555931,NA,"PDBC40184","655518","Present",NA,NA
+"40185","N'-{2-[2-(4-Methoxy-phenyl)-vinyl]quinazolin-4-yl}-N,3-diamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-{2-[2-(4-Methoxy-phenyl)-vinyl]quinazolin-4-yl}-N,N-d...",NA,"CN(C)CCCNC1=NC(=NC2=CC=CC=C21)C=CC3=CC=C(C=C3)OC.Cl","NQBFEPBHORUBNS-JHGYPSGKSA-N",54613149,NA,"PDBC40185","749297","Present",NA,NA
+"40186","N'1,N'4-Bis(2-hydroxybenzylidene)succinohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK824750",NA,"C1=CC=C(C(=C1)C=NNC(=O)CCC(=O)NN=CC2=CC=CC=C2O)O","IKQDBMRHCBEHHH-AYKLPDECSA-N",135429969,NA,"PDBC40186","628602","Present",NA,NA
+"40187","N'~1~-({2-[(4-Chlorophenyl)amino]-4-methyl-1,3-thiazol-5-yl}carbonyl)ethanedihydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'~1~-({2-[(4-Chlorophenyl)amino]-4-methyl-1,3-thiazol-5-yl}carbonyl)ethanedihydrazide",NA,"CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NNC(=O)C(=O)NN","RTCPCVSYTWNTMR-UHFFFAOYSA-N",367744,NA,"PDBC40187","637683","Present",NA,NA
+"40188","N'~1~-[(1E)-3-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)-1-methylpropylidene]ethanedihydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'~1~-[(1E)-3-(3,6-Dioxo-3,6-dihydropyridazin-1(2H)-yl)-1-methylpropylidene]ethanedihydrazide",NA,"CC(=NNC(=O)C(=O)NN)CCN1C(=O)C=CC(=O)N1","VLHZSTKQVNSWNF-AWNIVKPZSA-N",6079094,NA,"PDBC40188","631549","Present",NA,NA
+"40189","N'~1~-[2,2-Dichloro-1-(1,1-dichloro-2-hydroxyethyl)-3-hydroxypropylidene]ethanedihydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'~1~-[2,2-Dichloro-1-(1,1-dichloro-2-hydroxyethyl)-3-hydroxypropylidene]ethanedihydrazide",NA,"C(C(C(=NNC(=O)C(=O)NN)C(CO)(Cl)Cl)(Cl)Cl)O","DDUWTKRLMMNJMC-UHFFFAOYSA-N",368931,NA,"PDBC40189","640339","Present",NA,NA
+"40190","N'~3~,N'~5~-Bis(2-hydroxybenzoyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine-3,5-dicarboxylic acid, 1,4-dihydro-2,6-dimethyl...",NA,"CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C2=CC=CC=C2O)C(=O)NNC(=O)C3=CC=CC=C3O","BDOMQHAOCNPNGK-UHFFFAOYSA-N",377030,NA,"PDBC40190","658247","Present",NA,NA
+"40191","N'~3~,N'~5~-Dibenzoyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'~3~,N'~5~-Dibenzoyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbohydrazide",NA,"CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3","NMBFEDOFNQFPFM-UHFFFAOYSA-N",376638,NA,"PDBC40191","657670","Present",NA,NA
+"40192","N'~3~,N'~5~-Dibenzoyl-2,6-dimethylpyridine-3,5-dicarbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'~3~,N'~5~-Dibenzoyl-2,6-dimethylpyridine-3,5-dicarbohydrazide",NA,"CC1=C(C=C(C(=N1)C)C(=O)NNC(=O)C2=CC=CC=C2)C(=O)NNC(=O)C3=CC=CC=C3","FAVNNTAFEBYTHV-UHFFFAOYSA-N",376629,NA,"PDBC40192","657659","Present",NA,NA
+"40193","N(1)-(6-Chloro-2-methoxy-9-acridinyl)-N(7),N(7)-diethyl-1,7-heptanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N(1)-(6-Chloro-2-methoxy-9-acridinyl)-N(7),N(7)-diethyl-1,7-heptanediamine",NA,"CCN(CC)CCCCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC","XDESOPZVFRSNRT-UHFFFAOYSA-N",245074,NA,"PDBC40193","56618","Present",NA,NA
+"40194","N(2)-(3-Trifluoromethylphenyl)guanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TMPG",NA,"C1=CC(=CC(=C1)NC2=NC3=C(C(=O)N2)NC=N3)C(F)(F)F","IOWPKEYIXBBDOQ-UHFFFAOYSA-N",135435057,NA,"PDBC40194","682528","Present",NA,NA
+"40195","N(2-Pyridyl),N'{2-(4-phenylene)benzothiazole}thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N(2-Pyridyl),N'{2-(4-phenylene)benzothiazole}thiourea",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=CC=N4","GJBBHYXCNUZRBG-UHFFFAOYSA-N",24202656,NA,"PDBC40195","725660","Present",NA,NA
+"40196","N(4)-(4-Bromophenyl)-N(2)-methyl-5-nitroso-2,4,6-pyrimidinetriamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 4-amino-6-(p-bromoanilino)-2-(methylamino)-5...",NA,"CNC1=NC(=C(C(=N1)NC2=CC=C(C=C2)Br)N=O)N","UMSTYZICPACHCX-UHFFFAOYSA-N",252368,NA,"PDBC40196","74199","Present",NA,NA
+"40197","N(4)-(7-((7-Amino-2-methyl-4-quinolinyl)amino)heptyl)-2-methyl-4,7-quinolinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,7-quinolinediamine, n4,n4'-1,7-heptanediylbis[2-methyl-",NA,"CC1=CC(=C2C=CC(=CC2=N1)N)NCCCCCCCNC3=C4C=CC(=CC4=NC(=C3)C)N","QZWSSKXXZSJIMA-UHFFFAOYSA-N",152481,NA,"PDBC40197","273829","Present",NA,NA
+"40198","N(6)-(2-Carboxyethyl)adenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PG9A8I4S8I",NA,"C1=NC2=C(N1)C(=NC=N2)NCCC(=O)O","ALBHTZMRHDQGAA-UHFFFAOYSA-N",95806,NA,"PDBC40198","37388","Present",NA,NA
+"40199","N(cyclohexyl)N' 2-(4-phenylene)benzimidazole thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N(cyclohexyl)N' 2-(4-phenylene)benzimidazole thiourea",NA,"C1CCC(CC1)NC(=S)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","DLKQFYZYBGPLKO-UHFFFAOYSA-N",24202652,NA,"PDBC40199","725656","Present",NA,NA
+"40200","N(p-Chlorophenyl),N' 2-(4-phenylene)benzimidazole thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N(p-Chlorophenyl),N' 2-(4-phenylene)benzimidazole thiourea",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)Cl","YTTTVMYQXSLACF-UHFFFAOYSA-N",24202653,NA,"PDBC40200","725657","Present",NA,NA
+"40201","N, O-Diethoxyacetyl-3-demethyldeactylthiocolchicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N, O-Diethoxyacetyl-3-demethyldeactylthiocolchicin",NA,"CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC(=O)COCC","NGSBHZFTKFWKBZ-IBGZPJMESA-N",379556,NA,"PDBC40201","664231","Present",NA,NA
+"40202","N,1-Bis(2,4-dichlorophenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Bis(2,4-dichlorophenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,"C1=CC(=C(C=C1Cl)Cl)NC(=O)C2C(=O)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl","ZTRQDADQTQQVSH-UHFFFAOYSA-N",366977,NA,"PDBC40202","636139","Present",NA,NA
+"40203","N,1-Bis(2,6-dimethylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Bis(2,6-dimethylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C2C(=NN)C(=O)N(C2=O)C3=C(C=CC=C3C)C","BWJPYULRLZRXOR-ULJHMMPZSA-N",6105822,NA,"PDBC40203","623873","Present",NA,NA
+"40204","N,1-Bis(2-methoxyethyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Bis(2-methoxyethyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,"COCCNC(=O)C1C(=O)C(=O)N(C1=O)CCOC","FMAQPMNWWAHJRY-UHFFFAOYSA-N",361067,NA,"PDBC40204","623871","Present",NA,NA
+"40205","N,1-Bis(3,4-dichlorophenyl)-4-(hydroxyimino)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Bis(3,4-dichlorophenyl)-4-(hydroxyimino)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"C1=CC(=C(C=C1NC(=O)C2C(=NO)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl)Cl","WPRRKHZUQPPHGI-UCQKPKSFSA-N",9569906,NA,"PDBC40205","623874","Present",NA,NA
+"40206","N,1-Bis(3,4-dichlorophenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Bis(3,4-dichlorophenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"C1=CC(=C(C=C1NC(=O)C2C(=NN)C(=O)N(C2=O)C3=CC(=C(C=C3)Cl)Cl)Cl)Cl","FFVMXXVRKYBPGA-OYKKKHCWSA-N",9569992,NA,"PDBC40206","630896","Present",NA,NA
+"40207","N,1-Bis(4-chloro-2-methylphenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Bis(4-chloro-2-methylphenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C2C(=O)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C","NQWIKQZZYNDYME-UHFFFAOYSA-N",361078,NA,"PDBC40207","623883","Present",NA,NA
+"40208","N,1-Bis(4-chloro-2-methylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Bis(4-chloro-2-methylphenyl)-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C2C(=NN)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)C","QZMHTTAHZVBKRU-JLPGSUDCSA-N",9569908,NA,"PDBC40208","623895","Present",NA,NA
+"40209","N,1-Bis(4-chlorophenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Bis(4-chlorophenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,"C1=CC(=CC=C1NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)Cl)Cl","PPJUJHOGDGQABC-UHFFFAOYSA-N",361082,NA,"PDBC40209","623887","Present",NA,NA
+"40210","N,1-Bis(4-methylphenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Bis(4-methylphenyl)-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,"CC1=CC=C(C=C1)NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)C","IGKQIAAUFHKVHE-UHFFFAOYSA-N",364507,NA,"PDBC40210","630893","Present",NA,NA
+"40211","N,1-Dibenzyl-2,4,5-trioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632953",NA,"C1=CC=C(C=C1)CNC(=O)C2C(=O)C(=O)N(C2=O)CC3=CC=CC=C3","YLJZYSPLPXMFFK-UHFFFAOYSA-N",365367,NA,"PDBC40211","632953","Present",NA,NA
+"40212","N,1-Dibenzyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Dibenzyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"C1=CC=C(C=C1)CNC(=O)C2C(=NN)C(=O)N(C2=O)CC3=CC=CC=C3","CPZUYKYPLMVBBH-JWGURIENSA-N",5936482,NA,"PDBC40212","630900","Present",NA,NA
+"40213","N,1-Dibutyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Dibutyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"CCCCNC(=O)C1C(=NN)C(=O)N(C1=O)CCCC","UGFWYJGQYSCEGV-YBEGLDIGSA-N",9569998,NA,"PDBC40213","630907","Present",NA,NA
+"40214","N,1-Dicycloheptyl-4-(hydroxyimino)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Dicycloheptyl-4-(hydroxyimino)-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"C1CCCC(CC1)NC(=O)C2C(=NO)C(=O)N(C2=O)C3CCCCCC3","JPAKCOLMLXTROK-PGMHBOJBSA-N",9569910,NA,"PDBC40214","623899","Present",NA,NA
+"40215","N,1-Dicycloheptyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Dicycloheptyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"C1CCCC(CC1)NC(=O)C2C(=NN)C(=O)N(C2=O)C3CCCCCC3","FLOBZJGGKNBVQV-JWGURIENSA-N",9569993,NA,"PDBC40215","630897","Present",NA,NA
+"40216","N,1-Dicyclohexyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,1-Dicyclohexyl-4-hydrazono-2,5-dioxo-3-pyrrolidinecarboxamide",NA,"C1CCC(CC1)NC(=O)C2C(=NN)C(=O)N(C2=O)C3CCCCC3","RPBSNEWYZGLSRS-ZHZULCJRSA-N",9569907,NA,"PDBC40216","623894","Present",NA,NA
+"40217","N,10-Decanedicarboxamide dihydrochloride hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634699",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","KLGQFDZXZZFPNB-UHFFFAOYSA-N",366337,NA,"PDBC40217","634699","Present",NA,NA
+"40218","N,11,12-Trimethyl-11,12-dihydroindolo[2,3-a]carbazole-5,6-dicarbimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,13,23-Trimethyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione",NA,"CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)N(C4=O)C","SOIJVCSZRPPGDQ-UHFFFAOYSA-N",392067,NA,"PDBC40218","691879","Present",NA,NA
+"40219","N,12'-Chrysenyl)-bis-[4-(1'-piperidinyl)-butane-1,4-di amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-(6',12'-chrysenyl)-bis-[4-(1'-piperidinyl)-butane-1,...",NA,"C1CCN(CC1)CCCCNC2=CC3=C(C=C(C4=CC=CC=C43)NCCCCN5CCCCC5)C6=CC=CC=C62","SARVALDVDXJZEV-UHFFFAOYSA-N",11250083,NA,"PDBC40219","729108","Present",NA,NA
+"40220","N,12'-Chrysenyl)-bis[4-(4'N-methyl-piperazinyl)-butane-1,4-diamine.hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-(6',12'-Chrysenyl)-bis[4-(4'N-methyl-piperazinyl)-bu...",NA,"CN1CCN(CC1)CCCCNC2=CC3=C(C=C(C4=CC=CC=C43)NCCCCN5CCN(CC5)C)C6=CC=CC=C62.Cl","ZPOPTUDQSXBXAY-UHFFFAOYSA-N",404332,NA,"PDBC40220","720531","Present",NA,NA
+"40221","N,2,3,4,5,6-Hexahydroxyhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC275890///NSC733426",NA,"C(C(C(C(C(C(=O)NO)O)O)O)O)O","RMRPUORFNOLLGJ-UHFFFAOYSA-N",321825,NA,"PDBC40221","275890///733426","Present",NA,NA
+"40222","N,2-Bis(4-chlorophenyl)-N,2-dihydroxypropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,2-Bis(4-chlorophenyl)-N,2-dihydroxypropanamide",NA,"CC(C1=CC=C(C=C1)Cl)(C(=O)N(C2=CC=C(C=C2)Cl)O)O","XUTSAJJKKLBVDN-UHFFFAOYSA-N",387899,NA,"PDBC40222","682130","Present",NA,NA
+"40223","N,2-Bis(diethoxyphosphoryl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,2-Bis(diethoxyphosphoryl)aniline",NA,"CCOP(=O)(C1=CC=CC=C1NP(=O)(OCC)OCC)OCC","YWWWVNIBJQJORM-UHFFFAOYSA-N",392911,NA,"PDBC40223","694094","Present",NA,NA
+"40224","N,2-Dicyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,2-Dicyclopentyl-1H-imidazo[4,5-c]quinolin-4-amine",NA,"C1CCC(C1)C2=NC3=C(N2)C(=NC4=CC=CC=C43)NC5CCCC5","VVEHKPZLRKEVHD-UHFFFAOYSA-N",5465569,NA,"PDBC40224","654949","Present",NA,NA
+"40225","N,2-Dimethylpropylenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Dichlorodimaleonyl-2,2-dimethylpropylenediamine",NA,"CC(C)(CNC(=O)C(=C(C(=O)O)Cl)Cl)CNC(=O)C(=C(C(=O)O)Cl)Cl","FZUBRGFRQSCSQX-SFECMWDFSA-N",5469927,NA,"PDBC40225","694314","Present",NA,NA
+"40226","N,2-Diphenylethanesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,2-Diphenylethanesulfinamide",NA,"C1=CC=C(C=C1)CCS(=O)NC2=CC=CC=C2","BRDZJHSJRAPMNM-UHFFFAOYSA-N",385392,NA,"PDBC40226","676566","Present",NA,NA
+"40227","N,3'-(2-Nitroimidazol-1H-yl)propyl] ammonium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-bis-[3,3'-(2-nitroimidazol-1H-yl)propyl] am...",NA,"C[N+](C)(CCCN1C=CN=C1[N+](=O)[O-])CCCN2C=CN=C2[N+](=O)[O-].[I-]","KTOJOVNSRNKIBN-UHFFFAOYSA-M",378684,NA,"PDBC40227","661735","Present",NA,NA
+"40228","N,3,3-Triphenyl-2-benzothiophen-1-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,3,3-Triphenyl-2-benzothiophen-1-imine",NA,"C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5","DPZATZZHSHMPRC-UHFFFAOYSA-N",376972,NA,"PDBC40228","658172","Present",NA,NA
+"40229","N,3,3-Tris(p-tolyl)-2-benzothiophen-1-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,3,3-Tris(p-tolyl)-2-benzothiophen-1-imine",NA,"CC1=CC=C(C=C1)C2(C3=CC=CC=C3C(=NC4=CC=C(C=C4)C)S2)C5=CC=C(C=C5)C","GRLXMHGPEVIRHI-UHFFFAOYSA-N",376973,NA,"PDBC40229","658173","Present",NA,NA
+"40230","N,3,4-Triphenyl-3H-diazete-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,3,4-Triphenyl-3H-diazete-2-carboxamide",NA,"C1=CC=C(C=C1)C2C(=NN2C(=O)NC3=CC=CC=C3)C4=CC=CC=C4","CBDOAMHUOZJFGI-UHFFFAOYSA-N",391904,NA,"PDBC40230","691585","Present",NA,NA
+"40231","N,3,5]Triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Dicyclohexyl-N''-(4-methoxy-benzyl)-[1,3,5]triazine...",NA,"COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCCC3)NC4CCCCC4","SLTYMKMZKWJEQM-UHFFFAOYSA-N",405308,NA,"PDBC40231","722501","Present",NA,NA
+"40232","N,3,5]Triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis-(4-methoxy-benzyl)-6-morpholin-4-yl-[1,3,5]tria...",NA,"COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)N3CCOCC3)NCC4=CC=C(C=C4)OC","ZNUCTEYILOKKFE-UHFFFAOYSA-N",405309,NA,"PDBC40232","722502","Present",NA,NA
+"40233","N,3-Diphenyl-1,4,2-dithiazol-5-imine;perchloric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,3-Diphenyl-1,4,2-dithiazol-5-imine;perchloric acid",NA,"C1=CC=C(C=C1)C2=NSC(=NC3=CC=CC=C3)S2.OCl(=O)(=O)=O","GZCGECVHLFVZEG-UHFFFAOYSA-N",24202070,NA,"PDBC40233","622601","Present",NA,NA
+"40234","N,3-Dithiolanylidene)]piperazinium dibromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t6k dktj au- bt5systj& du- bt5systj &e 2",NA,"C1C[N+](=C2SCCS2)CC[N+]1=C3SCCS3.[Br-]","LEXOAAHKRRBLES-UHFFFAOYSA-M",54599379,NA,"PDBC40234","191956","Present",NA,NA
+"40235","N,3-Phenylene bis(3-cyanobenzamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-1,3-phenylene bis(3-cyanobenzamide)",NA,"C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C3=CC=CC(=C3)C#N)C#N","NVJCXWZFFXLNNL-UHFFFAOYSA-N",24203363,NA,"PDBC40235","727665","Present",NA,NA
+"40236","N,4'-(1,4-Piperazinediyl)bisbenzenecarboxamidamide, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-dubutyl 4,4'-(1,4-piperazinediyl)bisbenzenecarboxam...",NA,"CCCCN=C(C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=NCCCC)N)N.Cl","LVFKNORPDTVTMQ-UHFFFAOYSA-N",24202756,NA,"PDBC40236","725903","Present",NA,NA
+"40237","N,4,5,6-Tetrahydropyrimidine-2-yl)phenyl]homopip erazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-bis[4-(3,4,5,6-tetrahydropyrimidine-2-yl)phenyl]hom...",NA,"C1CNC(=NC1)C2=CC=C(C=C2)N3CCCN(CC3)C4=CC=C(C=C4)C5=NCCCN5.Cl","IBBGPHIMJSBWON-UHFFFAOYSA-N",24202881,NA,"PDBC40237","726150","Present",NA,NA
+"40238","N,4-Bis[(4-chlorophenyl)sulfanylmethyl]-N-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,4-Bis[(4-chlorophenyl)sulfanylmethyl]-N-methylaniline",NA,"CN(CSC1=CC=C(C=C1)Cl)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl","HMDDZKREVHHSDA-UHFFFAOYSA-N",259528,NA,"PDBC40238","89500","Present",NA,NA
+"40239","N,4-Dihydroxy-3-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Hydroxy-3-methoxybenzohydroxamic acid",NA,"COC1=C(C=CC(=C1)C(=O)NO)O","XLINSLFJJZQYSZ-UHFFFAOYSA-N",366893,NA,"PDBC40239","635953","Present",NA,NA
+"40240","N,4-Dimethyl-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,4-Dimethyl-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C)NS(=O)(=O)NC","AJVCAULOJQXSCC-UHFFFAOYSA-N",367379,NA,"PDBC40240","637068","Present",NA,NA
+"40241","N,4-Diphenyl-N-(thiophene-2-carbonyl)piperidine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-152969",NA,"C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC=CS4","KUNKHTJECGCIBN-UHFFFAOYSA-N",391222,NA,"PDBC40241","690119","Present",NA,NA
+"40242","N,4-Diphenylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,4-Diphenylbenzenesulfinamide",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)NC3=CC=CC=C3","YNDGPJUAAJISNJ-UHFFFAOYSA-N",385383,NA,"PDBC40242","676557","Present",NA,NA
+"40243","N,4-Dipyridin-2-yl-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(2-pyridinyl)-1,3-thiazol-2-yl]-2-pyridinamine",NA,"C1=CC=NC(=C1)C2=CSC(=N2)NC3=CC=CC=N3","RYCUBTFYRLAMFA-UHFFFAOYSA-N",772885,NA,"PDBC40243","751858","Present",NA,NA
+"40244","N,5-Bis(4-chlorophenyl)-3-(isopentylimino)-3,5-dihydro-2-phenazinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,5-Bis(4-chlorophenyl)-3-(isopentylimino)-3,5-dihydro-2-phenazinamine",NA,"CC(C)CCN=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl","ZQVZLQICYMOAMF-UHFFFAOYSA-N",362143,NA,"PDBC40244","625731","Present",NA,NA
+"40245","N,5-Bis(4-chlorophenyl)-5-cyano-4-oxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,5-Bis(4-chlorophenyl)-5-cyano-4-oxopentanamide",NA,"C1=CC(=CC=C1C(C#N)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl)Cl","RCMMWMXJJFCKHW-UHFFFAOYSA-N",360431,NA,"PDBC40245","622567","Present",NA,NA
+"40246","N,5-Dimethyl-6-oxo-N-phenyl-5,6-dihydro[1]benzothieno[2,3-c]quinoline-9-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,5-Dimethyl-6-oxo-N-phenyl-5,6-dihydro[1]benzothieno[2,3-c]quinoline-9-carboxamide",NA,"CN1C2=CC=CC=C2C3=C(C1=O)SC4=C3C=CC(=C4)C(=O)N(C)C5=CC=CC=C5","DCNWEJWIBYGELF-UHFFFAOYSA-N",391988,NA,"PDBC40246","691777","Present",NA,NA
+"40247","N,5-Diphenyl-1,3-oxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW549390X",NA,"C1=CC=C(C=C1)C2=CN=C(O2)NC3=CC=CC=C3","HFICAVMUTYFODG-UHFFFAOYSA-N",5329404,NA,"PDBC40247","756250","Present",NA,NA
+"40248","N,5]Furo[2,3-b]pyridine-3-carboxamid e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl 6-Hydroxy-4-phenylbenzo[4,5]furo[2,3-b]pyri...",NA,"CN(C)C(=O)C1=CN=C2C(=C1C3=CC=CC=C3)C4=C(O2)C=CC(=C4)O","WJLZOWAUKSCGAK-UHFFFAOYSA-N",24204227,NA,"PDBC40248","731011","Present",NA,NA
+"40249","N,6-Dimethyl-2-(methylthio)-N-phenyl-4-pyrimidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,6-Dimethyl-2-(methylthio)-N-phenyl-4-pyrimidinamine",NA,"CC1=CC(=NC(=N1)SC)N(C)C2=CC=CC=C2","JXSLKLPKMIQFRT-UHFFFAOYSA-N",379591,NA,"PDBC40249","664282","Present",NA,NA
+"40250","N,7,8,9-Tetrahydro-5H-benzocyclohepten-5-on-6-yl)-methyl]methaniminium Iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-N-[(6,7,8,9-tetrahydro-5H-benzocyclohepten-...",NA,"C[N+](C)(C)CC1CCCC2=CC=CC=C2C1=O.[I-]","STQMFRHEZXRVHP-UHFFFAOYSA-M",378643,NA,"PDBC40250","661441","Present",NA,NA
+"40251","N,8-Dimethyl-9-oxo-N-phenyl-11,13-dithia-8-azatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,12(16),14-hexaene-14-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,8-Dimethyl-9-oxo-N-phenyl-11,13-dithia-8-azatetracyclo[8.6.0.02,7.012,16]hexadeca-1(10),2,4,6,12(16),14-hexaene-14-carboxamide",NA,"CN1C2=CC=CC=C2C3=C(C1=O)SC4=C3C=C(S4)C(=O)N(C)C5=CC=CC=C5","GNUINEACFTUSCO-UHFFFAOYSA-N",391989,NA,"PDBC40251","691778","Present",NA,NA
+"40252","N,9-Diamino-nonane Dihydrochloride Hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-methyl-6-methoxy-4-quinaldyl)-1,9-diamino- non...",NA,"CC1=CC(=C2C=C(C=CC2=N1)OC)NCCCCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)OC.Cl","HEAPQBFYFAEGJE-UHFFFAOYSA-N",5351138,NA,"PDBC40252","10010","Present",NA,NA
+"40253","N,9-Nonanedicarboxamide dihydrochloride hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634698",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","YTQDEPWBCMNGBQ-UHFFFAOYSA-N",366335,NA,"PDBC40253","634698","Present",NA,NA
+"40254","N,N' Bis{2-(4-phenylene)benzothiazole}thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N' Bis{2-(4-phenylene)benzothiazole}thiourea",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5","AYQKBIANCYLDQO-UHFFFAOYSA-N",24202657,NA,"PDBC40254","725661","Present",NA,NA
+"40255","N,N',N'',N'''-[Ethylenebis(nitrilobisethylene)]tetrakis(1,6-dihydro-1-hydroxy-6-oxopyridine-2-carboxamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2-[Bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide",NA,"C1=CC(=O)N(C(=C1)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCN(CCNC(=O)C3=CC=CC(=O)N3O)CCNC(=O)C4=CC=CC(=O)N4O)O","VBXZHFRWDLEBNC-UHFFFAOYSA-N",391975,NA,"PDBC40255","691697","Present",NA,NA
+"40256","N,N',N'',N''-Tetramethylmelamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-bis(Dimethylaminomethyl)-N,N',N"""""""""""""""",N""""""""""""""""-tetramethylmela...",NA,"CN(C)CN(C)C1=NC(=NC(=N1)N(C)C)N(C)CN(C)C","SFXUGVWYUJKING-UHFFFAOYSA-N",375589,NA,"PDBC40256","655411","Present",NA,NA
+"40257","N,N',N,N'-[Methylenebis(diphenylphosphranetriyl)]bis(4,9-dioxo-2H-naphtho[2,3-d]triazol-2-amine)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[[(4,9-Dioxobenzo[f]benzotriazol-2-yl)imino-diphenyl-lambda5-phosphanyl]methyl-diphenyl-lambda5-phosphanylidene]amino]benzo[f]benzotriazole-4,9-dione",NA,"C1=CC=C(C=C1)P(=NN2N=C3C(=N2)C(=O)C4=CC=CC=C4C3=O)(CP(=NN5N=C6C(=N5)C(=O)C7=CC=CC=C7C6=O)(C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","NLVAVVSZOHSAIO-UHFFFAOYSA-N",397504,NA,"PDBC40257","705599","Present",NA,NA
+"40258","N,N'-(1,5-Dioxo-1,5-pentanediyl)bisglycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL329136",NA,"C(CC(=O)NCC(=O)O)CC(=O)NCC(=O)O","WOACFZHTODURQC-UHFFFAOYSA-N",361858,NA,"PDBC40258","625179","Present",NA,NA
+"40259","N,N'-1,3-Phenylenedimaleimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m-Dimaleimidobenzene",NA,"C1=CC(=CC(=C1)N2C(=O)C=CC2=O)N3C(=O)C=CC3=O","IPJGAEWUPXWFPL-UHFFFAOYSA-N",18156,NA,"PDBC40259","19639","Present",NA,NA
+"40260","N,N'-Bis((5-chloro-2-thienyl)carbonyl)-N,N'-dimethylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis((5-chloro-2-thienyl)carbonyl)-N,N'-dimethylthiourea",NA,"CN(C(=O)C1=CC=C(S1)Cl)C(=S)N(C)C(=O)C2=CC=C(S2)Cl","LFXCHRWMTNVSEV-UHFFFAOYSA-N",379466,NA,"PDBC40260","664019","Present",NA,NA
+"40261","N,N'-Bis(1,1,4-trimethyl-2,3-pentadienyl)sulfamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(1,1,4-trimethyl-2,3-pentadienyl)sulfamide",NA,"CC(=C=CC(C)(C)NS(=O)(=O)NC(C)(C)C=C=C(C)C)C","AVJQDGUXAHQJPM-UHFFFAOYSA-N",380904,NA,"PDBC40261","666687","Present",NA,NA
+"40262","N,N'-Bis(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-2,6-dimethylpyridine-3,5-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-2,6-dimethylpyridine-3,5-dicarboxamide",NA,"CC1=C(C=C(C(=N1)C)C(=O)NC2=CC=CC3=C2C(=O)NC3=O)C(=O)NC4=CC=CC5=C4C(=O)NC5=O","WYTKVPXXEUURGN-UHFFFAOYSA-N",368958,NA,"PDBC40262","640363","Present",NA,NA
+"40263","N,N'-Bis(1-methyl-4-phenyl-4-piperidylmethyl)sebacamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664983",NA,"CN1CCC(CC1)(CNC(=O)CCCCCCCCC(=O)NCC2(CCN(CC2)C)C3=CC=CC=C3)C4=CC=CC=C4","DMPYTENYPFANFS-UHFFFAOYSA-N",73039,NA,"PDBC40263","664983","Present",NA,NA
+"40264","N,N'-Bis(1-nitroacridin-9-yl)butane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(1-nitroacridin-9-yl)butane-1,4-diamine",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]","FGUMIPRKPHUGLM-UHFFFAOYSA-N",391438,NA,"PDBC40264","690633","Present",NA,NA
+"40265","N,N'-Bis(10-methyl-9-sulfanylideneacridin-2-yl)hexanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(10-methyl-9-sulfanylideneacridin-2-yl)hexanediamide",NA,"CN1C2=C(C=C(C=C2)NC(=O)CCCCC(=O)NC3=CC4=C(C=C3)N(C5=CC=CC=C5C4=S)C)C(=S)C6=CC=CC=C61","ZPCLWFQGEAYZLM-UHFFFAOYSA-N",358246,NA,"PDBC40265","618168","Present",NA,NA
+"40266","N,N'-Bis(2,2'-dithiosalicyl)hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RT-014053",NA,"C1=CC=C2C(=C1)C(=O)NNC(=O)C3=CC=CC=C3SSC4=CC=CC=C4C(=O)NNC(=O)C5=CC=CC=C5SS2","ZFFCQXUXSGUXST-UHFFFAOYSA-N",397255,NA,"PDBC40266","704783","Present",NA,NA
+"40267","N,N'-Bis(2-hydroxy-5-methoxybenzylidene)propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(2-hydroxy-5-methoxybenzylidene)propane-1,3-diamine",NA,"COC1=CC(=C(C=C1)O)C=NCCCN=CC2=C(C=CC(=C2)OC)O","IWNBWLOIIGKRFE-UHFFFAOYSA-N",403716,NA,"PDBC40267","718907","Present",NA,NA
+"40268","N,N'-Bis(2-hydroxyphenyl)propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(2-hydroxyphenyl)malonamide",NA,"C1=CC=C(C(=C1)NC(=O)CC(=O)NC2=CC=CC=C2O)O","HFXZIXZPIABOKV-UHFFFAOYSA-N",366911,NA,"PDBC40268","635971","Present",NA,NA
+"40269","N,N'-Bis(2-mercaptobenzoyl)hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACM292615419",NA,"C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC=CC=C2S)S","BCDWFVITTFIUNV-UHFFFAOYSA-N",397256,NA,"PDBC40269","704784","Present",NA,NA
+"40270","N,N'-Bis(3,4,5-trihydroxybenzoyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(3,4,5-trihydroxybenzoyl)thiourea",NA,"C1=C(C=C(C(=C1O)O)O)C(=O)NC(=S)NC(=O)C2=CC(=C(C(=C2)O)O)O","JSKUEHHZHVZOTD-UHFFFAOYSA-N",3005352,NA,"PDBC40270","694230","Present",NA,NA
+"40271","N,N'-Bis(3,4-dihydro-6-chloro-4-phenylquinazoline-2-yl)[2,2'-dithiobis[4-chloro-5-[(4-chlorophenylamino)carbonyl]benzenesulfonamide]]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[5-chloro-4-[(4-chlorophenyl)carbamoyl]-2-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]phenyl]disulfanyl]-N-(4-chlorophenyl)-5-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)su",NA,"C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=N2)NS(=O)(=O)C4=C(C=C(C(=C4)C(=O)NC5=CC=C(C=C5)Cl)Cl)SSC6=C(C=C(C(=C6)Cl)C(=O)NC7=CC=C(C=C7)Cl)S(=O)(=O)NC8=NC(C9=C(N8)C=CC(=C9)Cl)C1=CC=CC=C1","AXIDRSVROYJDIL-UHFFFAOYSA-N",25077305,NA,"PDBC40271","704346","Present",NA,NA
+"40272","N,N'-Bis(3,4-dihydro-6-chloro-4-phenylquinazoline-2-yl)[2,2'-dithiobis[4-chloro-5-[(phenylamino)carbonyl]benzenesulfonamide]]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Chloro-4-[[5-chloro-2-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]-4-(phenylcarbamoyl)phenyl]disulfanyl]-5-[(6-chloro-4-phenyl-1,4-dihydroquinazolin-2-yl)sulfamoyl]-N-phenylbenzamide",NA,"C1=CC=C(C=C1)C2C3=C(C=CC(=C3)Cl)NC(=N2)NS(=O)(=O)C4=C(C=C(C(=C4)C(=O)NC5=CC=CC=C5)Cl)SSC6=C(C=C(C(=C6)Cl)C(=O)NC7=CC=CC=C7)S(=O)(=O)NC8=NC(C9=C(N8)C=CC(=C9)Cl)C1=CC=CC=C1","GCKLFWNZYAZILX-UHFFFAOYSA-N",25077304,NA,"PDBC40272","704345","Present",NA,NA
+"40273","N,N'-Bis(3-aminopropyl)-N,N'-bis(naphthalen-2-ylmethyl)butane-1,4-diamine;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(3-aminopropyl)-N,N'-bis(naphthalen-2-ylmethyl)butane-1,4-diamine;2,2,2-trifluoroacetic acid",NA,"C1=CC=C2C=C(C=CC2=C1)CN(CCCCN(CCCN)CC3=CC4=CC=CC=C4C=C3)CCCN.C(=O)(C(F)(F)F)O","UIJIOEKMPAXSIT-UHFFFAOYSA-N",389639,NA,"PDBC40273","685982","Present",NA,NA
+"40274","N,N'-Bis(3-methoxyacridin-9-yl)hexane-1,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Hexanediamine, N,N'-bis(3-methoxy-9-acridinyl)-",NA,"COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NCCCCCCNC4=C5C=CC(=CC5=NC6=CC=CC=C64)OC","FLTPBXAPYZIIEV-UHFFFAOYSA-N",319095,NA,"PDBC40274","260610","Present",NA,NA
+"40275","N,N'-Bis(3-methoxyphenyl)propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UVNQAMWXUYXORY-UHFFFAOYSA-N",NA,"COC1=CC=CC(=C1)NC(=O)CC(=O)NC2=CC(=CC=C2)OC","UVNQAMWXUYXORY-UHFFFAOYSA-N",385918,NA,"PDBC40275","677380","Present",NA,NA
+"40276","N,N'-Bis(3-methoxypropyl)propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-62738",NA,"COCCCNC(=O)CC(=O)NCCCOC","UUWHWIHMIDHHNG-UHFFFAOYSA-N",364513,NA,"PDBC40276","630899","Present",NA,NA
+"40277","N,N'-Bis(3-nitrophenyl)isophthalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-bis(3-Nitrophenyl)benzene-1,3-dicarboxamide",NA,"C1=CC(=CC(=C1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]","XNLJYGLAIAFHNG-UHFFFAOYSA-N",306548,NA,"PDBC40277","204232","Present",NA,NA
+"40278","N,N'-Bis(3-pyridinylmethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z195664356",NA,"C1=CC(=CN=C1)CNC(=O)NCC2=CN=CC=C2","MXEJJBGVOYQRDF-UHFFFAOYSA-N",170234,NA,"PDBC40278","704606","Present",NA,NA
+"40279","N,N'-Bis(4-acetamidophenyl)propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(4-acetamidophenyl)propanediamide",NA,"CC(=O)NC1=CC=C(C=C1)NC(=O)CC(=O)NC2=CC=C(C=C2)NC(=O)C","SFJBNQKETVVNBW-UHFFFAOYSA-N",385921,NA,"PDBC40279","677384","Present",NA,NA
+"40280","N,N'-Bis(4-amidinophenyl)homopiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-bis(4-amidinophenyl)homopiperazine",NA,"C1CN(CCN(C1)C2=CC=C(C=C2)C(=N)N)C3=CC=C(C=C3)C(=N)N.Cl","QYEPSCYCZPVVGL-UHFFFAOYSA-N",24202882,NA,"PDBC40280","726151","Present",NA,NA
+"40281","N,N'-Bis(6-chloro-2-methoxyacridin-9-yl)ethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1,N2-bis(6-chloro-2-methoxyacridin-9-yl)ethane-1,2-diamine",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNC4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC","HQVFBVTYAIBOSR-UHFFFAOYSA-N",242980,NA,"PDBC40281","403451","Present",NA,NA
+"40282","N,N'-Bis(7-chloroquinolin-4-yl)hexane-1,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline-4-amine, N,N'-1,6-hexanediylbis[6-chloro-, dih...",NA,"C1=CC2=C(C=CN=C2C=C1Cl)NCCCCCCNC3=C4C=CC(=CC4=NC=C3)Cl","HHWIMTYEHYWKEK-UHFFFAOYSA-N",434361,NA,"PDBC40282","349051","Present",NA,NA
+"40283","N,N'-Bis(9-acridinyl)-1,6-hexanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n,n'-di-9-acridinyl-1,6-hexanediamine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NCCCCCCNC4=C5C=CC=CC5=NC6=CC=CC=C64","FZSBSJDISGQMLW-UHFFFAOYSA-N",42875,NA,"PDBC40283","219733","Present",NA,NA
+"40284","N,N'-Bis(benzenesulfonyl)-2,3-dibenzylbutanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(benzenesulfonyl)-2,3-dibenzylbutanediamide",NA,"C1=CC=C(C=C1)CC(C(CC2=CC=CC=C2)C(=O)NS(=O)(=O)C3=CC=CC=C3)C(=O)NS(=O)(=O)C4=CC=CC=C4","FNGHESYBRQHYBD-UHFFFAOYSA-N",357761,NA,"PDBC40284","617284","Present",NA,NA
+"40285","N,N'-Bis(diaminomethylideneamino)nonanediamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635559",NA,"C(CCCC(=O)NN=C(N)N)CCCC(=O)NN=C(N)N.Cl","NCKYTKCCGVYOLZ-UHFFFAOYSA-N",366785,NA,"PDBC40285","635559","Present",NA,NA
+"40286","N,N'-Bis(naphthalen-1-ylmethyl)dodecane-1,12-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(naphthalen-1-ylmethyl)dodecane-1,12-diamine",NA,"C1=CC=C2C(=C1)C=CC=C2CNCCCCCCCCCCCCNCC3=CC=CC4=CC=CC=C43","OEXYPCKYSZKKFX-UHFFFAOYSA-N",364093,NA,"PDBC40286","629734","Present",NA,NA
+"40287","N,N'-Bis(naphthalen-1-ylmethyl)hexane-1,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(naphthalen-1-ylmethyl)hexane-1,6-diamine",NA,"C1=CC=C2C(=C1)C=CC=C2CNCCCCCCNCC3=CC=CC4=CC=CC=C43","UNKKTPGRGYVYID-UHFFFAOYSA-N",364091,NA,"PDBC40287","629732","Present",NA,NA
+"40288","N,N'-Bis(naphtho[1,2-b]quinolin-9-yl)butane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(naphtho[1,2-b]quinolin-9-yl)butane-1,4-diamine",NA,"C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC(=C4)NCCCCNC5=CC6=C(C=C5)N=C7C(=C6)C=CC8=CC=CC=C87)N=C32","WTFZDIIBNGNKSR-UHFFFAOYSA-N",315508,NA,"PDBC40288","240800","Present",NA,NA
+"40289","N,N'-Bis(salicylidene)-1,2-phenylenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650732",NA,"C1=CC=C(C(=C1)C=NC2=CC=CC=C2N=CC3=CC=CC=C3O)O","HXFYGSOGECBSOY-UHFFFAOYSA-N",221227,NA,"PDBC40289","650732","Present",NA,NA
+"40290","N,N'-Bis(salicylideneamino)oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis(salicylideneamino)oxamide",NA,"C1=CC=C(C(=C1)C=NNC(=O)C(=O)NN=CC2=CC=CC=C2O)O","PUMOTLVCXKMSQH-XFQWXJFMSA-N",135408610,NA,"PDBC40290","53327","Present",NA,NA
+"40291","N,N'-Bis-(4-sulfamoyl-phenyl)-malonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE12664",NA,"C1=CC(=CC=C1NC(=O)CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)S(=O)(=O)N","UAQJTBSUHBZPRH-UHFFFAOYSA-N",361072,NA,"PDBC40291","623876","Present",NA,NA
+"40292","N,N'-Bis-pyridin-3-ylmethyl-oxalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK116989",NA,"C1=CC(=CN=C1)CNC(=O)C(=O)NCC2=CN=CC=C2","BNXGAGLVOASELG-UHFFFAOYSA-N",397198,NA,"PDBC40292","704607","Present",NA,NA
+"40293","N,N'-Bis[(1-tert-butylaziridin-2-yl)methyl]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanediamide, N,N'-bis[[1-(1,1-dimethylethyl)-2-aziridi...",NA,"CC(C)(C)N1CC1CNC(=O)C(=O)NCC2CN2C(C)(C)C","NCZAFBKFSHVMFZ-UHFFFAOYSA-N",326600,NA,"PDBC40293","298276","Present",NA,NA
+"40294","N,N'-Bis[(6-methoxynaphthalen-2-yl)methyl]dodecane-1,12-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[(6-methoxynaphthalen-2-yl)methyl]dodecane-1,12-diamine",NA,"COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCCCCCCCNCC3=CC4=C(C=C3)C=C(C=C4)OC","ZNDGZRDNIFCTTD-UHFFFAOYSA-N",385313,NA,"PDBC40294","676428","Present",NA,NA
+"40295","N,N'-Bis[(6-methoxynaphthalen-2-yl)methyl]octane-1,8-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[(6-methoxynaphthalen-2-yl)methyl]octane-1,8-diamine",NA,"COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCCCNCC3=CC4=C(C=C3)C=C(C=C4)OC","CQYQMNUUDDGFPQ-UHFFFAOYSA-N",385312,NA,"PDBC40295","676427","Present",NA,NA
+"40296","N,N'-Bis[(E)-1-[4-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]butanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanedioic acid, bis[[1-[4-[(3-amino-2,3,6-trideoxy-.al...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)CCC(=O)NN=C(C)C6(CC(C7=C(C6)C(=C8C(=C7O)C(=O)C9=C(C8=O)C=CC=C9OC)O)OC1CC(C(C(O1)C)O)N)O)C)O)N)O","ACPOUBCJPBQMFD-BCNBNTECSA-N",9573613,NA,"PDBC40296","266210","Present",NA,NA
+"40297","N,N'-Bis[(Z)-(2-chlorophenyl)methylideneamino]hexanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[(Z)-(2-chlorophenyl)methylideneamino]hexanediamide",NA,"C1=CC=C(C(=C1)C=NNC(=O)CCCCC(=O)NN=CC2=CC=CC=C2Cl)Cl","VMTCNNITCITFOD-GACBQCINSA-N",5539412,NA,"PDBC40297","49502","Present",NA,NA
+"40298","N,N'-Bis[(Z)-(2-hydroxyphenyl)methylideneamino]decanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[(Z)-(2-hydroxyphenyl)methylideneamino]decanediamide",NA,"C1=CC=C(C(=C1)C=NNC(=O)CCCCCCCCC(=O)NN=CC2=CC=CC=C2O)O","FAGCLRMEOSNCKD-MFYXSQMNSA-N",135408549,NA,"PDBC40298","49488","Present",NA,NA
+"40299","N,N'-Bis[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[(Z)-[(E)-3-(5-nitrofuran-2-yl)prop-2-enylidene]amino]oxamide",NA,"C1=C(OC(=C1)[N+](=O)[O-])C=CC=NNC(=O)C(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-]","PEJCPYNDRBAGFF-BOCWCJRTSA-N",9572307,NA,"PDBC40299","710917","Present",NA,NA
+"40300","N,N'-Bis[2-(2-diethylaminoethylcarbamoyl)phenyl]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[2-(2-diethylaminoethylcarbamoyl)phenyl]oxamide",NA,"CCN(CC)CCNC(=O)C1=CC=CC=C1NC(=O)C(=O)NC2=CC=CC=C2C(=O)NCCN(CC)CC","PKJPFDIICKPNII-UHFFFAOYSA-N",369397,NA,"PDBC40300","641162","Present",NA,NA
+"40301","N,N'-Bis[2-(tritylamino)cyclohexyl]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[2-(tritylamino)cyclohexyl]oxamide",NA,"C1CCC(C(C1)NC(=O)C(=O)NC2CCCCC2NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","RFKDBORJIKLFCM-UHFFFAOYSA-N",384592,NA,"PDBC40301","674604","Present",NA,NA
+"40302","N,N'-Bis[3-(2-nitroimidazol-1-yl)propyl]oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[3-(2-nitroimidazol-1-yl)propyl]oxamide",NA,"C1=CN(C(=N1)[N+](=O)[O-])CCCNC(=O)C(=O)NCCCN2C=CN=C2[N+](=O)[O-]","AMJDUAYPEPOJCQ-UHFFFAOYSA-N",372048,NA,"PDBC40302","646862","Present",NA,NA
+"40303","N,N'-Bis[3-(benzylamino)propyl]butane-1,4-diamine;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Butanediamine, N,N'-bis[3-[(phenylmethyl)amino]propy...",NA,"C1=CC=C(C=C1)CNCCCNCCCCNCCCNCC2=CC=CC=C2.C(=O)(C(F)(F)F)O","AJXUHBKICMWXIU-UHFFFAOYSA-N",391190,NA,"PDBC40303","690024","Present",NA,NA
+"40304","N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]butanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]butanediamide",NA,"CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C","FDHSMUSOBSHUJT-UHFFFAOYSA-N",393126,NA,"PDBC40304","694524","Present",NA,NA
+"40305","N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]decanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]decanediamide",NA,"CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCCCCCCCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C","HSLKXZLZJFDIRY-UHFFFAOYSA-N",393129,NA,"PDBC40305","694527","Present",NA,NA
+"40306","N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]hexanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]hexanediamide",NA,"CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCCCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C","IXCLOLJWTHJUCC-UHFFFAOYSA-N",393128,NA,"PDBC40306","694526","Present",NA,NA
+"40307","N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[4-(10,10-dimethyl-8-oxo-9,11-dihydrobenzo[c]acridin-7-yl)phenyl]pentanediamide",NA,"CC1(CC2=C(C(=O)C1)C(=C3C=CC4=CC=CC=C4C3=N2)C5=CC=C(C=C5)NC(=O)CCCC(=O)NC6=CC=C(C=C6)C7=C8C=CC9=CC=CC=C9C8=NC1=C7C(=O)CC(C1)(C)C)C","MXOFKDCWHWRLIS-UHFFFAOYSA-N",393127,NA,"PDBC40307","694525","Present",NA,NA
+"40308","N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]butanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]butanediamide",NA,"CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=O)C1)C5=CC=C(C=C5)NC(=O)CCC(=O)NC6=CC=C(C=C6)C7=C8C(=NC9=C7C1=CC=CC=C1C=C9)CC(CC8=O)(C)C)C","YYPFOFNUUKUAPQ-UHFFFAOYSA-N",393130,NA,"PDBC40308","694528","Present",NA,NA
+"40309","N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]decanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]decanediamide",NA,"CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=O)C1)C5=CC=C(C=C5)NC(=O)CCCCCCCCC(=O)NC6=CC=C(C=C6)C7=C8C(=NC9=C7C1=CC=CC=C1C=C9)CC(CC8=O)(C)C)C","JSSNKFQDVIDPPN-UHFFFAOYSA-N",392581,NA,"PDBC40309","693128","Present",NA,NA
+"40310","N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]hexanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]hexanediamide",NA,"CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=O)C1)C5=CC=C(C=C5)NC(=O)CCCCC(=O)NC6=CC=C(C=C6)C7=C8C(=NC9=C7C1=CC=CC=C1C=C9)CC(CC8=O)(C)C)C","OXOKNGNQZUPPHZ-UHFFFAOYSA-N",392580,NA,"PDBC40310","693127","Present",NA,NA
+"40311","N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[4-(9,9-dimethyl-11-oxo-8,10-dihydrobenzo[a]acridin-12-yl)phenyl]pentanediamide",NA,"CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=O)C1)C5=CC=C(C=C5)NC(=O)CCCC(=O)NC6=CC=C(C=C6)C7=C8C(=NC9=C7C1=CC=CC=C1C=C9)CC(CC8=O)(C)C)C","VFCXWZLOHQJNJB-UHFFFAOYSA-N",392579,NA,"PDBC40311","693126","Present",NA,NA
+"40312","N,N'-Bis[4-(N-2-hydroxyethylamidino)phenyl]homopiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-bis[4-(N-2-hydroxyethylamidino)phenyl]homopiperazine",NA,"C1CN(CCN(C1)C2=CC=C(C=C2)C(=NCCO)N)C3=CC=C(C=C3)C(=NCCO)N.Cl","NTKBWCANQAFQLJ-UHFFFAOYSA-N",24202880,NA,"PDBC40312","726149","Present",NA,NA
+"40313","N,N'-Bis[4-(N-butylamidino)phenyl}homopiperazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-bis[4-(N-butylamidino)phenyl}homopiperazine",NA,"CCCCN=C(C1=CC=C(C=C1)N2CCCN(CC2)C3=CC=C(C=C3)C(=NCCCC)N)N.Cl","QTLPFZKRWQGPBK-UHFFFAOYSA-N",24202879,NA,"PDBC40313","726148","Present",NA,NA
+"40314","N,N'-Bis[5-[(E)-3-[4-[(E)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]decanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[5-[(E)-3-[4-[(E)-3-(2-amino-4-methyl-1,3-thiazol-5-yl)-3-oxoprop-1-enyl]phenyl]prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]decanediamide",NA,"CC1=C(SC(=N1)N)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C3=C(N=C(S3)NC(=O)CCCCCCCCC(=O)NC4=NC(=C(S4)C(=O)C=CC5=CC=C(C=C5)C=CC(=O)C6=C(N=C(S6)N)C)C)C","MBHOKZRKWPPWNL-OBCUGYALSA-N",6302566,NA,"PDBC40314","640552","Present",NA,NA
+"40315","N,N'-Bis[5-[[5-[(3-amino-3-iminopropyl)carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]heptanediamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Heptanediamide, N,N-bis[5-[[5-[[[(3-amino-3-iminopropyl)...",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","KNGMZANABDBAFE-UHFFFAOYSA-N",365749,NA,"PDBC40315","633769","Present",NA,NA
+"40316","N,N'-Dehydrofuroascorbil-diasparagin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-dehydrofuroascorbil-diasparagin",NA,"C(C(C(=O)O)N=C1C(OC(=O)C1=NC(CC(=O)N)C(=O)O)C(CO)O)C(=O)N","HBRWMSYDSPIVOQ-UHFFFAOYSA-N",381653,NA,"PDBC40316","668472","Present",NA,NA
+"40317","N,N'-Di(1H-indazol-6-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WT922UDA9S",NA,"C1=CC2=C(C=C1NC(=S)NC3=CC4=C(C=C3)C=NN4)NN=C2","OTJWJLLGPAFTIP-UHFFFAOYSA-N",3003797,NA,"PDBC40317","74429","Present",NA,NA
+"40318","N,N'-Di(9H-fluoren-2-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Di(9H-fluoren-2-yl)thiourea",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=S)NC4=CC5=C(C=C4)C6=CC=CC=C6C5","OXZQLIONCTZVIC-UHFFFAOYSA-N",3246089,NA,"PDBC40318","23217","Present",NA,NA
+"40319","N,N'-Di-(m-trifluoromethylphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC19469",NA,"C1=CC(=CC(=C1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F","ASUCRFVOBIZQSN-UHFFFAOYSA-N",136250,NA,"PDBC40319","19469","Present",NA,NA
+"40320","N,N'-Dibenzyl-N''-cyano-N,N'-dimethylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Dibenzyl-N''-cyano-N,N'-dimethylguanidine",NA,"CN(CC1=CC=CC=C1)C(=NC#N)N(C)CC2=CC=CC=C2","WQZAFTNLLPOSPU-UHFFFAOYSA-N",373928,NA,"PDBC40320","650957","Present",NA,NA
+"40321","N,N'-Dibenzyl-N''-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.542.983B",NA,"C1=CC=C(C=C1)CNC(=NCC2=CC=CC=C2)NC#N","PTFWGFJDEBNFNZ-UHFFFAOYSA-N",370388,NA,"PDBC40321","643482","Present",NA,NA
+"40322","N,N'-Dicarbamoyl-2-[(4-methoxyphenyl)sulfonylamino]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Dicarbamoyl-2-[(4-methoxyphenyl)sulfonylamino]pentanediamide",NA,"COC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NC(=O)N)C(=O)NC(=O)N","BIFRJYHHRCARRT-UHFFFAOYSA-N",393739,NA,"PDBC40322","696264","Present",NA,NA
+"40323","N,N'-Diethyl-N,N'-bis(3-phenoxypropyl)ethane-1,2-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Diethyl-N,N'-bis(3-phenoxypropyl)ethane-1,2-diamine;hydrochloride",NA,"CCN(CCCOC1=CC=CC=C1)CCN(CC)CCCOC2=CC=CC=C2.Cl","QXEYGJJCGYRKGJ-UHFFFAOYSA-N",54609242,NA,"PDBC40323","34060","Present",NA,NA
+"40324","N,N'-Diethylbut-2-ynediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Diethylbut-2-ynediamide",NA,"CCNC(=O)C#CC(=O)NCC","AAHUADQYRSMRMP-UHFFFAOYSA-N",315402,NA,"PDBC40324","240574","Present",NA,NA
+"40325","N,N'-Diethylquinoxaline-2,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UYTGGRJPWFSBEV-UHFFFAOYSA-N",NA,"CCNC1=NC2=CC=CC=C2N=C1NCC","UYTGGRJPWFSBEV-UHFFFAOYSA-N",105206,NA,"PDBC40325","667754","Present",NA,NA
+"40326","N,N'-Dimethyl-N,N'-bis[(methylamino)carbonyl]phthalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Dimethyl-N,N'-bis[(methylamino)carbonyl]phthalamide",NA,"CNC(=O)N(C)C(=O)C1=CC=CC=C1C(=O)N(C)C(=O)NC","ODOOSHVRADBELF-UHFFFAOYSA-N",379465,NA,"PDBC40326","664018","Present",NA,NA
+"40327","N,N'-Dimethylbenzenecarboximidamide monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624720",NA,"CN(C)C(=N)C1=CC=CC=C1.Cl","LKHQYAGJWCLEGG-UHFFFAOYSA-N",361539,NA,"PDBC40327","624720","Present",NA,NA
+"40328","N,N'-Dinaphthalen-1-ylhexane-1,6-diamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Dinaphthalen-1-ylhexane-1,6-diamine;hydrobromide",NA,"C1=CC=C2C(=C1)C=CC=C2NCCCCCCNC3=CC=CC4=CC=CC=C43.Br","MMVIZYIAUGOENZ-UHFFFAOYSA-N",368360,NA,"PDBC40328","639219","Present",NA,NA
+"40329","N,N'-Dinaphthalen-1-yloctane-1,8-diamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Dinaphthalen-1-yloctane-1,8-diamine;hydrobromide",NA,"C1=CC=C2C(=C1)C=CC=C2NCCCCCCCCNC3=CC=CC4=CC=CC=C43.Br","LQPHAGZSBMMERP-UHFFFAOYSA-N",368362,NA,"PDBC40329","639220","Present",NA,NA
+"40330","N,N'-Diphenyl-1-piperidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-diphenylpiperidine-1-carboxamidine",NA,"C1CCN(CC1)C(=NC2=CC=CC=C2)NC3=CC=CC=C3","FHRHTIRYKDDYTN-UHFFFAOYSA-N",383076,NA,"PDBC40330","671120","Present",NA,NA
+"40331","N,N'-Diphenyl-1-pyrrolidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Diphenyl-1-pyrrolidinecarboxamidine",NA,"C1CCN(C1)C(=NC2=CC=CC=C2)NC3=CC=CC=C3","XMXWLLDKUUAUOS-UHFFFAOYSA-N",383073,NA,"PDBC40331","671117","Present",NA,NA
+"40332","N,N'-Diphenyl-2-(tosylamino)pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC779400",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3","XLALRUIHDDSPFR-UHFFFAOYSA-N",101453891,NA,"PDBC40332","779400","Present",NA,NA
+"40333","N,N'-Diphenyl-N-(2-(1-piperidinyl)ethyl)-1-piperidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Diphenyl-N-(2-(1-piperidinyl)ethyl)-1-piperidinecarboximidamide",NA,"C1CCN(CC1)CCN(C2=CC=CC=C2)C(=NC3=CC=CC=C3)N4CCCCC4","QROILWHRZVWZOH-UHFFFAOYSA-N",383077,NA,"PDBC40333","671121","Present",NA,NA
+"40334","N,N'-Diphenyl-N-(2-(1-pyrrolidinyl)ethyl)-1-pyrrolidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Diphenyl-N-(2-(1-pyrrolidinyl)ethyl)-1-pyrrolidinecarboximidamide",NA,"C1CCN(C1)CCN(C2=CC=CC=C2)C(=NC3=CC=CC=C3)N4CCCC4","CXTDIZWTRIBIJF-UHFFFAOYSA-N",383074,NA,"PDBC40334","671118","Present",NA,NA
+"40335","N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido-3-propionamidine)-4-pyrrole]-4-pyrrolyl}urea dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Di{1-methyl-2-[1-methyl-2-carboxamido-3-propionamid...",NA,"CN1C=C(C=C1C(=O)NCCC(=N)N)NC(=O)C2=CC(=CN2C)NC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","ASGVIVFQQXVHKJ-UHFFFAOYSA-N",365166,NA,"PDBC40335","632329","Present",NA,NA
+"40336","N,N'-Ethylenebis[(2S,3S)-2-(3-methoxy-5-methyl-1-naphthylcarbonyloxy)-3-methyl-3,4-epoxybutanamide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-2-[2-[[(2S)-2-(3-Methoxy-5-methylnaphthalene-1-carbonyl)oxy-2-[(2S)-2-methyloxiran-2-yl]acetyl]amino]ethylamino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxyl",NA,"CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)NCCNC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC)C6(CO6)C)OC","NNVBHTAJXNZXMX-RGXXHLTKSA-N",10484730,NA,"PDBC40336","732221","Present",NA,NA
+"40337","N,N'-Iminobis(dipropylenedistearamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Iminobis(dipropylenedistearamide)",NA,"CCCCCCCCCCCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCCCCCCCCCCC","VVCMLFGVBUXGEC-UHFFFAOYSA-N",84145,NA,"PDBC40337","647761","Present",NA,NA
+"40338","N,N'-Methylenebisacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methylenediacrylamide",NA,"C=CC(=O)NCNC(=O)C=C","ZIUHHBKFKCYYJD-UHFFFAOYSA-N",8041,NA,"PDBC40338","7774","Present",NA,NA
+"40339","N,N'-Tetramethylenebis[(2S,3S)-2-(3-methoxy-5-methyl-1-naphthylcarbonyloxy)-3-methyl-3,4-epoxybutanamide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-2-[4-[[(2S)-2-(3-Methoxy-5-methylnaphthalene-1-carbonyl)oxy-2-[(2S)-2-methyloxiran-2-yl]acetyl]amino]butylamino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxyl",NA,"CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)NCCCCNC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC)C6(CO6)C)OC","VPBWFDPWZNDXIZ-HVPIWBAOSA-N",9987363,NA,"PDBC40339","732224","Present",NA,NA
+"40340","N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-1H-benzo[g]indole-3-carbothioamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-N-[2-[methyl-[2-[(1-methylbenzo[g]indole-3-carbothioyl)amino]ethyl]amino]ethyl]benzo[g]indole-3-carbothioamide",NA,"CN1C=C(C2=C1C3=CC=CC=C3C=C2)C(=S)NCCN(C)CCNC(=S)C4=CN(C5=C4C=CC6=CC=CC=C65)C","ZWGPMGUNYKQDAJ-UHFFFAOYSA-N",5470705,NA,"PDBC40340","704623","Present",NA,NA
+"40341","N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-7,8-dichloro-1H-benzo[g]indole-3-carboxamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dichloro-N-[2-[2-[(7,8-dichloro-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide",NA,"CN1C=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=CC(=C(C=C65)Cl)Cl)C","NSLADDNPUPFIFG-UHFFFAOYSA-N",397208,NA,"PDBC40341","704617","Present",NA,NA
+"40342","N,N'-[(Methylimino)bis(ethylene)]bis(1-methyl-7-chloro-1H-benzo[g]indole-3-carboxamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-N-[2-[2-[(7-chloro-1-methylbenzo[g]indole-3-carbonyl)amino]ethyl-methylamino]ethyl]-1-methylbenzo[g]indole-3-carboxamide",NA,"CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)Cl)C(=O)NCCN(C)CCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)Cl)C","LBAOWDSPSUKVTH-UHFFFAOYSA-N",397209,NA,"PDBC40342","704618","Present",NA,NA
+"40343","N,N'-[(Methylimino)bis(ethylene)]bis(1H-benzo[g]indole-3-carboxamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2-(1H-Benzo[g]indole-3-carbonylamino)ethyl-methylamino]ethyl]-1H-benzo[g]indole-3-carboxamide",NA,"CN(CCNC(=O)C1=CNC2=C1C=CC3=CC=CC=C32)CCNC(=O)C4=CNC5=C4C=CC6=CC=CC=C65","VROFFYZWONRMLJ-UHFFFAOYSA-N",397214,NA,"PDBC40343","704622","Present",NA,NA
+"40344","N,N'-[(Methylimino)bis(trimethylene)]bis(1-methyl-7,8-dichloro-1H-benzo[g]indole-3-carboxamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,8-Dichloro-N-[3-[3-[(7,8-dichloro-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide",NA,"CN1C=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=CC(=C(C=C65)Cl)Cl)C","VTQLOYRNRAXPSC-UHFFFAOYSA-N",397210,NA,"PDBC40344","704619","Present",NA,NA
+"40345","N,N'-[(Methylimino)bis(trimethylene)]bis(1-methyl-7-chloro-1H-benzo[g]indole-3-carboxamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-N-[3-[3-[(7-chloro-1-methylbenzo[g]indole-3-carbonyl)amino]propyl-methylamino]propyl]-1-methylbenzo[g]indole-3-carboxamide",NA,"CN1C=C(C2=C1C3=C(C=C2)C=C(C=C3)Cl)C(=O)NCCCN(C)CCCNC(=O)C4=CN(C5=C4C=CC6=C5C=CC(=C6)Cl)C","KTJVFVRZIVEWKI-UHFFFAOYSA-N",397211,NA,"PDBC40345","704620","Present",NA,NA
+"40346","N,N'-[2-(Propylamino)-1,3,5-triazine-4,6-diyl]bis(N-methylhydroxylamine)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[Hydroxy(methyl)amino]-6-(propylamino)-1,3,5-triazin-2-yl]-N-methylhydroxylamine",NA,"CCCNC1=NC(=NC(=N1)N(C)O)N(C)O","AEWJTONYWGPPAK-UHFFFAOYSA-N",45029482,NA,"PDBC40346","746928","Present",NA,NA
+"40347","N,N'-[Methylenebis(3-chloro-2,6-diethyl-4,1-phenylene)]bis(2-oxo-3-pyridin-2-ylpropanamide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-4-[[2-chloro-3,5-diethyl-4-[(2-oxo-3-pyridin-2-ylpropanoyl)amino]phenyl]methyl]-2,6-diethylphenyl]-2-oxo-3-pyridin-2-ylpropanamide",NA,"CCC1=CC(=C(C(=C1NC(=O)C(=O)CC2=CC=CC=N2)CC)Cl)CC3=C(C(=C(C(=C3)CC)NC(=O)C(=O)CC4=CC=CC=N4)CC)Cl","XFCGQEHMNNSBFE-UHFFFAOYSA-N",371959,NA,"PDBC40347","646776","Present",NA,NA
+"40348","N,N'-[Methylmalonylbis(iminoethylene)]bis[3-(methylhydroxycarbamoyl)propionamide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[2-[[4-[hydroxy(methyl)amino]-4-oxo-butanoyl]amino]ethyl]-2-methyl-propanediamide",NA,"CC(C(=O)NCCNC(=O)CCC(=O)N(C)O)C(=O)NCCNC(=O)CCC(=O)N(C)O","MVAQFOOXCOWIJN-UHFFFAOYSA-N",396682,NA,"PDBC40348","703196","Present",NA,NA
+"40349","N,N'-diacetyl-p-menthane-1,8-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-diacetyl-p-menthane-1,8-diamine",NA,"CC(=O)NC1(CCC(CC1)C(C)(C)NC(=O)C)C","ILYZGQDVDLMPJH-UHFFFAOYSA-N",379925,NA,"PDBC40349","665117","Present",NA,NA
+"40350","N,N,1-Tribenzyl-4,5-dihydro-1H-1,2,4-triazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,1-Tribenzyl-4,5-dihydro-1H-1,2,4-triazol-5-amine",NA,"C1=CC=C(C=C1)CN2C(N=CN2)N(CC3=CC=CC=C3)CC4=CC=CC=C4","RFQIXRTUPCUJNK-UHFFFAOYSA-N",369338,NA,"PDBC40350","641093","Present",NA,NA
+"40351","N,N,1-Triisopropyl-4,4-dimethyl-3-((4-methylphenyl)thio)-1,2-azaphosphetidin-2-amine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,1-Triisopropyl-4,4-dimethyl-3-((4-methylphenyl)thio)-1,2-azaphosphetidin-2-amine 2-oxide",NA,"CC1=CC=C(C=C1)SC2C(N(P2(=O)N(C(C)C)C(C)C)C(C)C)(C)C","UGPRJFCMTJTWIQ-UHFFFAOYSA-N",369407,NA,"PDBC40351","641177","Present",NA,NA
+"40352","N,N,2-Trimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,2-Trimethyl-17-azatetracyclo[8.7.0.03,7.011,16]heptadeca-1(10),2,4,6,8,11,13,15-octaen-8-amine",NA,"CC1=C2C=CC=C2C(=CC3=C1NC4=CC=CC=C43)N(C)C","XDGBBAWNKTVSFH-UHFFFAOYSA-N",403544,NA,"PDBC40352","718564","Present",NA,NA
+"40353","N,N,5,11,12-Pentamethyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,5,11,12-Pentamethyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",NA,"CC1=C(OC2=C1C3=NN=C(N3C(=N2)N(C)C)C)C","XSYRNIFBACYNGE-UHFFFAOYSA-N",389703,NA,"PDBC40353","686269","Present",NA,NA
+"40354","N,N,5-Triisopropyl-2-methyl-1,3-oxazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,5-Triisopropyl-2-methyl-1,3-oxazol-4-amine",NA,"CC1=NC(=C(O1)C(C)C)N(C(C)C)C(C)C","HOYWZYAVWHZQRU-UHFFFAOYSA-N",384233,NA,"PDBC40354","673649","Present",NA,NA
+"40355","N,N,5-Trimethyl-11,12-diphenyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,5-Trimethyl-11,12-diphenyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",NA,"CC1=NN=C2N1C(=NC3=C2C(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5)N(C)C","LTVYECPXBFJLFD-UHFFFAOYSA-N",389708,NA,"PDBC40355","686274","Present",NA,NA
+"40356","N,N,8,9-Tetramethylfuro[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,11,12-Tetramethyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",NA,"CC1=C(OC2=C1C3=NN=CN3C(=N2)N(C)C)C","MTIRHKFYNJKESN-UHFFFAOYSA-N",389702,NA,"PDBC40356","686268","Present",NA,NA
+"40357","N,N,8,9-Tetramethylfuro[3,2-e]tetraazolo[1,5-c]pyrimidin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,11,12-Tetramethyl-10-oxa-3,4,5,6,8-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",NA,"CC1=C(OC2=C1C3=NN=NN3C(=N2)N(C)C)C","PUJQJRIFMVCBNG-UHFFFAOYSA-N",389704,NA,"PDBC40357","686270","Present",NA,NA
+"40358","N,N,8-Trimethyl-2,2-dioxo-3,4,5,6-tetrahydrooxathiino[6,5-f]quinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,8-Trimethyl-2,2-dioxo-3,4,5,6-tetrahydrooxathiino[6,5-f]quinazolin-4-amine",NA,"CC1=NC=C2C(=N1)CCC3=C2OS(=O)(=O)CC3N(C)C","MLRSHYZTTJSULQ-UHFFFAOYSA-N",360320,NA,"PDBC40358","622367","Present",NA,NA
+"40359","N,N,N',N'-Tetraethyl-P-(2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-yl)phosphonic diamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Diethylamino(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)phosphoryl]-N-ethylethanamine",NA,"CCN(CC)P(=O)(C1=CC2=C(C=C1)OCCOCCOCCOCCO2)N(CC)CC","SBHABJMCIAKPBX-UHFFFAOYSA-N",376525,NA,"PDBC40359","657484","Present",NA,NA
+"40360","N,N,N',N'-Tetrakis[(3,5-dimethylpyrazol-1-yl)methyl]-1,4-phenylenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1,N1,N4,N4-tetrakis[(3,5-dimethyl-1H-pyrazol-1-yl)methy...",NA,"CC1=CC(=NN1CN(CN2C(=CC(=N2)C)C)C3=CC=C(C=C3)N(CN4C(=CC(=N4)C)C)CN5C(=CC(=N5)C)C)C","ARQPHUPIKSIMCD-UHFFFAOYSA-N",404575,NA,"PDBC40360","720888","Present",NA,NA
+"40361","N,N,N',N'-Tetrakis[(6-methyl-1H-benzimidazol-2-yl)methyl]ethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,N',N'-tetrakis[(6-methyl-1H-benzimidazol-2-yl)methyl...",NA,"CC1=CC2=C(C=C1)N=C(N2)CN(CCN(CC3=NC4=C(N3)C=C(C=C4)C)CC5=NC6=C(N5)C=C(C=C6)C)CC7=NC8=C(N7)C=C(C=C8)C","KZOLQEUQAFTQFM-UHFFFAOYSA-N",335974,NA,"PDBC40361","348884","Present",NA,NA
+"40362","N,N,N',N'-Tetramethyl-1-(2,3,4,5-tetrabromocyclopenta-2,4-dien-1-ylidene)methanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,N',N'-Tetramethyl-1-(2,3,4,5-tetrabromocyclopenta-2,4-dien-1-ylidene)methanediamine",NA,"CN(C)C(=C1C(=C(C(=C1Br)Br)Br)Br)N(C)C","FFQYSXUVLNCKCM-UHFFFAOYSA-N",361642,NA,"PDBC40362","624860","Present",NA,NA
+"40363","N,N,N',N'-Tetramethylethylenediamine-mono(carboxyborane)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,N',N'-Tetramethylethylenediamine-mono(carboxyborane)",NA,NA,NA,NA,NA,"PDBC40363","680212","Present",NA,NA
+"40364","N,N,N'-Tribenzyl-N''-cyano-N'-methylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,N'-Tribenzyl-N''-cyano-N'-methylguanidine",NA,"CN(CC1=CC=CC=C1)C(=NC#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3","XCVSKDUDNCCTOI-UHFFFAOYSA-N",373932,NA,"PDBC40364","650960","Present",NA,NA
+"40365","N,N,N'-Tribenzyl-N''-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,N'-Tribenzyl-N''-cyanoguanidine",NA,"C1=CC=C(C=C1)CN=C(NC#N)N(CC2=CC=CC=C2)CC3=CC=CC=C3","QIUMPXSUTHDEIG-UHFFFAOYSA-N",373918,NA,"PDBC40365","650948","Present",NA,NA
+"40366","N,N,N-Trimethyl(2,3,4,6-tetramethylphenyl)methanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIMETHYL-(2,3,4,6-TETRAMETHYLBENZYL)-AMMONIUM CHLORIDE",NA,"CC1=CC(=C(C(=C1C)C)C[N+](C)(C)C)C.[Cl-]","FKOBRGCOCFTSPZ-UHFFFAOYSA-M",24180730,NA,"PDBC40366","112","Present",NA,NA
+"40367","N,N,N-Trimethyl-2-((2E)-2-{[3-nitro-4,5-bis(3-nitrophenyl)-2-furyl]methylene}hydrazino)-2-oxoethanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[2-[(2E)-2-[[3-nitro-4,5-bis(3-nitrophenyl)furan-2-yl]methylidene]hydrazinyl]-2-oxoethyl]azanium;chloride",NA,"C[N+](C)(C)CC(=O)NN=CC1=C(C(=C(O1)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-].[Cl-]","ZJUNGVPLJMRUEC-RRHSQXQGSA-N",9571706,NA,"PDBC40367","647130","Present",NA,NA
+"40368","N,N-Bis(1H-benzimidazol-2-ylmethyl)-2-phenylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(1H-benzimidazol-2-ylmethyl)-2-phenylethanamine",NA,"C1=CC=C(C=C1)CCN(CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4","IQQSGUWPUMPOIQ-UHFFFAOYSA-N",387361,NA,"PDBC40368","681113","Present",NA,NA
+"40369","N,N-Bis(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)acetamide",NA,"CC(=O)N(CCN1C(=O)C2=CC=CC=C2C1=O)CCN3C(=O)C4=CC=CC=C4C3=O","CLCQXIQZSSUMQG-UHFFFAOYSA-N",361760,NA,"PDBC40369","625026","Present",NA,NA
+"40370","N,N-Bis(2-aminoethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-aminoethyl)acetamide",NA,"CC(=O)N(CCN)CCN","DZFFVUPWZIKCDX-UHFFFAOYSA-N",361761,NA,"PDBC40370","625027","Present",NA,NA
+"40371","N,N-Bis(2-bromo-2-propenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-bromo-2-propenyl)acetamide",NA,"CC(=O)N(CC(=C)Br)CC(=C)Br","UZDNUEKCNWQHGO-UHFFFAOYSA-N",379675,NA,"PDBC40371","664555","Present",NA,NA
+"40372","N,N-Bis(2-bromoallyl)methylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-N-(2-bromo-2-propenyl)-N-methyl-2-propen-1-amine",NA,"CN(CC(=C)Br)CC(=C)Br","LBJKANBIQPSNGD-UHFFFAOYSA-N",243532,NA,"PDBC40372","53441","Present",NA,NA
+"40373","N,N-Bis(2-bromoethyl)diamidophosphoric acid 5-nitrofurfuryl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688022",NA,"C1=C(OC(=C1)[N+](=O)[O-])COP(=O)(N)N(CCBr)CCBr","VUBQJZIZBRBAGS-UHFFFAOYSA-N",390535,NA,"PDBC40373","688022","Present",NA,NA
+"40374","N,N-Bis(2-bromopropyl)-9H-fluoren-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-bromopropyl)-9H-fluoren-2-amine",NA,"CC(CN(CC(C)Br)C1=CC2=C(C=C1)C3=CC=CC=C3C2)Br","KXXFPDNKSPNSMV-UHFFFAOYSA-N",240377,NA,"PDBC40374","46529","Present",NA,NA
+"40375","N,N-Bis(2-chloroethyl)-3-methyl-4-(naphthalen-2-yliminomethyl)aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-chloroethyl)-3-methyl-4-(naphthalen-2-yliminomethyl)aniline;hydrochloride",NA,"CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC3=CC=CC=C3C=C2.Cl","MJOYPAVVHXOXPI-UHFFFAOYSA-N",24191452,NA,"PDBC40375","121879","Present",NA,NA
+"40376","N,N-Bis(2-chloroethyl)-4-(6-chloropurin-9-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-chloroethyl)-4-(6-chloropurin-9-yl)aniline",NA,"C1=CC(=CC=C1N2C=NC3=C2N=CN=C3Cl)N(CCCl)CCCl","QRPGGRCHUPLCMK-UHFFFAOYSA-N",254234,NA,"PDBC40376","78298","Present",NA,NA
+"40377","N,N-Bis(2-chloroethyl)-4-[(E)-2-(1-ethyl-6-iodoquinolin-1-ium-2-yl)ethenyl]aniline;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-chloroethyl)-4-[(E)-2-(1-ethyl-6-iodoquinolin-1-ium-2-yl)ethenyl]aniline;iodide",NA,"CC[N+]1=C(C=CC2=C1C=CC(=C2)I)C=CC3=CC=C(C=C3)N(CCCl)CCCl.[I-]","CZZLEPJYRKEAEH-UHFFFAOYSA-M",54608102,NA,"PDBC40377","640083","Present",NA,NA
+"40378","N,N-Bis(2-chloroethyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propyl]aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-chloroethyl)-4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]propyl]aniline;hydrochloride",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)CCCC6=CC=C(C=C6)N(CCCl)CCCl.Cl","PFOLWFMJEWLILV-UHFFFAOYSA-N",384809,NA,"PDBC40378","675257","Present",NA,NA
+"40379","N,N-Bis(2-chloroethyl)-6-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-chloroethyl)-6-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine",NA,"CC1=CC2=C(C=C1)OP(=O)(OC2C(Cl)(Cl)Cl)N(CCCl)CCCl","JFCBXAYVXLGIHX-UHFFFAOYSA-N",382839,NA,"PDBC40379","670668","Present",NA,NA
+"40380","N,N-Bis(2-chloroethyl)-8-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-chloroethyl)-8-methyl-2-oxo-4-(trichloromethyl)-4H-1,3,2lambda5-benzodioxaphosphinin-2-amine",NA,"CC1=C2C(=CC=C1)C(OP(=O)(O2)N(CCCl)CCCl)C(Cl)(Cl)Cl","ZPRPMGSHXHEUMS-UHFFFAOYSA-N",382838,NA,"PDBC40380","670667","Present",NA,NA
+"40381","N,N-Bis(2-chloroethyl)-N-methyl-N-[(1-methyl-4-nitro-5-imidazolyl)methyl]ammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(2-chloroethyl)-methyl-[(3-methyl-5-nitroimidazol-4-yl)methyl]azanium;chloride",NA,"CN1C=NC(=C1C[N+](C)(CCCl)CCCl)[N+](=O)[O-].[Cl-]","FZGCLOUSZIVYHQ-UHFFFAOYSA-M",377468,NA,"PDBC40381","658926","Present",NA,NA
+"40382","N,N-Bis(2-chloroethyl)-p-toluidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-N,N-Di(2-chloroethyl)toluidine",NA,"CC1=CC=C(C=C1)N(CCCl)CCCl","GDPRJMAJFSDBKX-UHFFFAOYSA-N",100400,NA,"PDBC40382","294980","Present",NA,NA
+"40383","N,N-Bis(2-chloropropyl)-N-methylammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-bis(2-chloropropyl)-N-methylammonium chloride",NA,"CC(CN(C)CC(C)Cl)Cl.Cl","ZZRBIKAWEWFTIB-UHFFFAOYSA-N",381678,NA,"PDBC40383","668523","Present",NA,NA
+"40384","N,N-Bis(2-hydroxyethyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-hydroxyethyl)-7-methyl-4-oxo-1H-1,8-naphthyridine-3-carboxamide",NA,"CC1=NC2=C(C=C1)C(=O)C(=CN2)C(=O)N(CCO)CCO","FSQCINLUUZDMCK-UHFFFAOYSA-N",5470958,NA,"PDBC40384","706817","Present",NA,NA
+"40385","N,N-Bis(2-methoxyethyl)-2-[[32,33,34,35-tetrakis[2-[bis(2-methoxyethyl)amino]-2-oxoethoxy]-5,11,17,23,29-pentatert-butyl-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaenyl]oxy]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis(2-methoxyethyl)-2-[[32,33,34,35-tetrakis[2-[bis(2-methoxyethyl)amino]-2-oxoethoxy]-5,11,17,23,29-pentatert-butyl-31-hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,1",NA,"CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)N(CCOC)CCOC)CC4=CC(=CC(=C4OCC(=O)N(CCOC)CCOC)CC5=C(C(=CC(=C5)C(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)C)C2)OCC(=O)N(CCOC)CCOC)OCC(=O)N(CCOC)CCOC)C(C)(C)C)C(C)(C)C)OCC(=O)N(CCOC)CCOC","LJQRACBHAOMZIE-UHFFFAOYSA-N",381127,NA,"PDBC40385","667440","Present",NA,NA
+"40386","N,N-Bis(2-methoxyethyl)-2-phenylquinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4,N4-di(2-methoxyethyl)-2-phenyl-4-quinazolinamine di(2...",NA,"COCCN(CCOC)C1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3","GKJOALAKKFHGPH-UHFFFAOYSA-N",1564647,NA,"PDBC40386","727966","Present",NA,NA
+"40387","N,N-Bis(3,5-dimethyl-1H-pyrazole-1-ylmethyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3',5,5'-tetramethyl-N,N-Bis(pyrazol-1-ylmethyl)aniline",NA,"CC1=CC(=NN1CN(CN2C(=CC(=N2)C)C)C3=CC=CC=C3)C","WRZCLCMIUFQVFS-UHFFFAOYSA-N",404563,NA,"PDBC40387","720859","Present",NA,NA
+"40388","N,N-Bis(3,5-dimethylpyrazol-1-ylmethyl)-cyclohexylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3',5,5'-tetra-methyl-N,N-Bis(pyrazol-1-ylmethyl)cycloh...",NA,"CC1=CC(=NN1CN(CN2C(=CC(=N2)C)C)C3CCCCC3)C","BUFOHUXVVLVRBQ-UHFFFAOYSA-N",404566,NA,"PDBC40388","720862","Present",NA,NA
+"40389","N,N-Bis(methoxycarbonyl)valine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Bis(methoxycarbonyl)amino]-3-methylbutanoic acid",NA,"CC(C)C(C(=O)O)N(C(=O)OC)C(=O)OC","VVPDGGOGQXQSMA-UHFFFAOYSA-N",360223,NA,"PDBC40389","622233","Present",NA,NA
+"40390","N,N-Bis[(2,3-dimethoxyquinoxaline-6-yl)methyl]-3,4,5-trimethoxybenzenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis[(2,3-dimethoxyquinoxaline-6-yl)methyl]-3,4,5-trimethoxybenzenamine",NA,"COC1=CC(=CC(=C1OC)OC)N(CC2=CC3=C(C=C2)N=C(C(=N3)OC)OC)CC4=CC5=C(C=C4)N=C(C(=N5)OC)OC","OQLOGSJLTSAUQD-UHFFFAOYSA-N",380466,NA,"PDBC40390","666062","Present",NA,NA
+"40391","N,N-Bis[2-hydroxybenzyl]amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC26194",NA,"C1=CC=C(C(=C1)CNCC2=CC=CC=C2O)O","ARMZYJYJGIRLRX-UHFFFAOYSA-N",230856,NA,"PDBC40391","26194","Present",NA,NA
+"40392","N,N-Bis[2-oxo-2-(2-phenylhydrazinyl)ethyl]nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Bis[2-oxo-2-(2-phenylhydrazinyl)ethyl]nitrous amide",NA,"C1=CC=C(C=C1)NNC(=O)CN(CC(=O)NNC2=CC=CC=C2)N=O","GMCWBXDBYUUHBM-UHFFFAOYSA-N",228424,NA,"PDBC40392","21356","Present",NA,NA
+"40393","N,N-Di(2-cyclohexen-1-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Di(2-cyclohexen-1-yl)aniline",NA,"C1CC=CC(C1)N(C2CCCC=C2)C3=CC=CC=C3","OLUMBIYSBOFFQV-UHFFFAOYSA-N",360165,NA,"PDBC40393","622098","Present",NA,NA
+"40394","N,N-Dibenzyl-2-[(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-6-prop-2-enylcyclohex-3-en-1-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-2-[(1R,5R,6R)-5-[tert-butyl(dimethyl)silyl]oxy-2-oxo-6-prop-2-enylcyclohex-3-en-1-yl]acetamide",NA,"CC(C)(C)[Si](C)(C)OC1C=CC(=O)C(C1CC=C)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3","PWCBAHMUSMNOIR-LSMIHOHGSA-N",401708,NA,"PDBC40394","715438","Present",NA,NA
+"40395","N,N-Dibenzyl-3-(2-mercapto-6-phenyl-4-pyrimidinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-3-(2-mercapto-6-phenyl-4-pyrimidinyl)propanamide",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC3=CC(=NC(=S)N3)C4=CC=CC=C4","ZADGPUJEHLJWPO-UHFFFAOYSA-N",3004011,NA,"PDBC40395","622440","Present",NA,NA
+"40396","N,N-Dibenzyl-3-(3,3-dimethyltriazeno)-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-153984",NA,"CC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)N=NN(C)C","QUPLBDXPQOMHBZ-UHFFFAOYSA-N",374089,NA,"PDBC40396","651349","Present",NA,NA
+"40397","N,N-Dibenzyl-3-(4-ethyl-3-propyl-1H-pyrazol-5-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-3-(4-ethyl-3-propyl-1H-pyrazol-5-yl)propanamide",NA,"CCCC1=C(C(=NN1)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC","CNZOXWBJDLYUSD-UHFFFAOYSA-N",364857,NA,"PDBC40397","631670","Present",NA,NA
+"40398","N,N-Dibenzyl-3-(4-ethyl-5-propyl-3-isoxazolyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-3-(4-ethyl-5-propyl-3-isoxazolyl)propanamide",NA,"CCCC1=C(C(=NO1)CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC","HHHPGTJRVTYHLW-UHFFFAOYSA-N",360377,NA,"PDBC40398","622438","Present",NA,NA
+"40399","N,N-Dibenzyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propanamide",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC3=CC(=NN3)C4=CC=C(C=C4)F","ZNRRRQPMAWDTJI-UHFFFAOYSA-N",364358,NA,"PDBC40399","630369","Present",NA,NA
+"40400","N,N-Dibenzyl-4-((2,4-bis(hydroxy(oxido)amino)phenyl)hydrazono)-6-oxo-6-phenylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-4-((2,4-bis(hydroxy(oxido)amino)phenyl)hydrazono)-6-oxo-6-phenylhexanamide",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C4=CC=CC=C4","UTPIQOXIMVEOGG-MUGXBBEHSA-N",6047838,NA,"PDBC40400","622441","Present",NA,NA
+"40401","N,N-Dibenzyl-4-((2,4-bis(hydroxy(oxido)amino)phenyl)hydrazono)-6-oxododecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-4-((2,4-bis(hydroxy(oxido)amino)phenyl)hydrazono)-6-oxododecanamide",NA,"CCCCCCC(=O)CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CCC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3","KYEMXGSXHWKQNV-KGGMANCPSA-N",6243795,NA,"PDBC40401","631675","Present",NA,NA
+"40402","N,N-Dibenzyl-4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-4-(4-hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinesulfonamide",NA,"CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4","WXJOVGZUFNTYFG-UHFFFAOYSA-N",135426540,NA,"PDBC40402","673104","Present",NA,NA
+"40403","N,N-Dibenzyl-4-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ADAL1110511",NA,"CC1=CC=C(C=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3","ZNNCXSVPJQOPBZ-UHFFFAOYSA-N",221519,NA,"PDBC40403","6246","Present",NA,NA
+"40404","N,N-Dibenzyl-5-ethyl-6-((3-hydroxy-2-naphthoyl)hydrazono)-4-oxononanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-5-ethyl-6-((3-hydroxy-2-naphthoyl)hydrazono)-4-oxononanamide",NA,"CCCC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)C(CC)C(=O)CCC(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4","FOVNXGUJLKOQDP-BQNXFWFHSA-N",5863398,NA,"PDBC40404","631668","Present",NA,NA
+"40405","N,N-Dibenzyl-5-methyl-2,6-bis(methylsulfonyl)-4-pyrimidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-5-methyl-2,6-bis(methylsulfonyl)-4-pyrimidinamine",NA,"CC1=C(N=C(N=C1S(=O)(=O)C)S(=O)(=O)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3","LFDTZMZXXNDDPJ-UHFFFAOYSA-N",362869,NA,"PDBC40405","627275","Present",NA,NA
+"40406","N,N-Dibenzyl-N''-cyano-N',N'-dimethylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-N''-cyano-N',N'-dimethylguanidine",NA,"CN(C)C(=NC#N)N(CC1=CC=CC=C1)CC2=CC=CC=C2","CYHMRQUZRQBZQL-UHFFFAOYSA-N",373927,NA,"PDBC40406","650956","Present",NA,NA
+"40407","N,N-Dibenzyl-N''-cyano-N'-methylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1-Dibenzyl-3-cyano-2-methylguanidine",NA,"CN=C(NC#N)N(CC1=CC=CC=C1)CC2=CC=CC=C2","VYWXNASMYWDZQG-UHFFFAOYSA-N",373921,NA,"PDBC40407","650951","Present",NA,NA
+"40408","N,N-Dibenzyl-N'-butyl-N''-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyl-N'-butyl-N''-cyanoguanidine",NA,"CCCCN=C(NC#N)N(CC1=CC=CC=C1)CC2=CC=CC=C2","WWOHIVLELNZJJO-UHFFFAOYSA-N",373922,NA,"PDBC40408","650952","Present",NA,NA
+"40409","N,N-Dibenzyldaunorubicin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibenzyldaunorubicin",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N(CC6=CC=CC=C6)CC7=CC=CC=C7)O.Cl","CFPUQMKLKLOWBL-VGXRFQQFSA-N",5351284,NA,"PDBC40409","268242","Present",NA,NA
+"40410","N,N-Dibutyl-2,4-dioxo-6-phenyl-5-hexenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibutyl-2,4-dioxo-6-phenyl-5-hexenamide",NA,"CCCCN(CCCC)C(=O)C(=O)CC(=O)C=CC1=CC=CC=C1","UNUICVBRAYIRIH-OUKQBFOZSA-N",5388095,NA,"PDBC40410","631856","Present",NA,NA
+"40411","N,N-Dibutyl-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibutyl-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,"CCCCN(CCCC)C(=O)C(=O)C(C1=CC=C(C=C1)OC)C(=O)C2=CC=C(C=C2)OC","QUJMVNFXWDMEIP-UHFFFAOYSA-N",364929,NA,"PDBC40411","631815","Present",NA,NA
+"40412","N,N-Dibutyl-3-cyano-3-(4-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibutyl-3-cyano-3-(4-methylphenyl)-2-oxopropanamide",NA,"CCCCN(CCCC)C(=O)C(=O)C(C#N)C1=CC=C(C=C1)C","WBOPNSXXXKXBGD-UHFFFAOYSA-N",364941,NA,"PDBC40412","631827","Present",NA,NA
+"40413","N,N-Dibutyl-3-methyl-2,4-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibutyl-3-methyl-2,4-dioxohexanamide",NA,"CCCCN(CCCC)C(=O)C(=O)C(C)C(=O)CC","MHOCIHKLGJQYND-UHFFFAOYSA-N",360660,NA,"PDBC40413","622978","Present",NA,NA
+"40414","N,N-Dibutyl-4-[4-(dibutylamino)benzenecarboximidoyl]aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibutyl-4-[4-(dibutylamino)benzenecarboximidoyl]aniline;hydrochloride",NA,"CCCCN(CCCC)C1=CC=C(C=C1)C(=N)C2=CC=C(C=C2)N(CCCC)CCCC.Cl","UFNSXKNAQJUKKK-UHFFFAOYSA-N",24184169,NA,"PDBC40414","33435","Present",NA,NA
+"40415","N,N-Dibutyl-7-(diethylamino)-9-methyl-3H-phenothiazin-3-iminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenothiazin-5-ium (9ci), 7-(dibutylamino)-3-(diethylami...",NA,"CCCC[N+](=C1C=CC2=NC3=C(C=C(C=C3C)N(CC)CC)SC2=C1)CCCC.[Cl-]","RMODMLJGOYRGMV-UHFFFAOYSA-M",24181669,NA,"PDBC40415","10667","Present",NA,NA
+"40416","N,N-Dibutyl-N-[3,4,4-trichloro-1-(dibutylamino)-2-nitro-1,3-butadienyl]amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dibutyl-N-[3,4,4-trichloro-1-(dibutylamino)-2-nitro-1,3-butadienyl]amine",NA,"CCCCN(CCCC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N(CCCC)CCCC","MNTXWSJOQLHEBP-UHFFFAOYSA-N",394699,NA,"PDBC40416","698367","Present",NA,NA
+"40417","N,N-Dicyclohexyl-3-(3,3-dimethyltriazeno)-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-153986",NA,"CC1=C(C=C(C=C1)C(=O)N(C2CCCCC2)C3CCCCC3)N=NN(C)C","VXTBXWJLIXAJTA-UHFFFAOYSA-N",374088,NA,"PDBC40417","651348","Present",NA,NA
+"40418","N,N-Didecyl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(didecylamino)-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Didecyl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(didecylamino)-2-oxoethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy",NA,"CCCCCCCCCCN(CCCCCCCCCC)C(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)OCC(=O)N(CCCCCCCCCC)CCCCCCCCCC)C(C)(C)C","SBLLZHHPLLIHBY-UHFFFAOYSA-N",381126,NA,"PDBC40418","667439","Present",NA,NA
+"40419","N,N-Diethyl-1-methyl-4H-imidazo[1,2-a][1,5]benzodiazepin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-1-methyl-4H-imidazo[1,2-a][1,5]benzodiazepin-5-amine",NA,"CCN(CC)C1=NC2=CC=CC=C2N3C(=CN=C3C1)C","VFJBCBFIYXERGI-UHFFFAOYSA-N",387312,NA,"PDBC40419","681025","Present",NA,NA
+"40420","N,N-Diethyl-1-trityloxy-but-3-en-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-diethyl-1-trityloxy-but-3-en-2-amine",NA,"CCN(CC)C(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C=C.Cl","GFKPBZVSKDOVRA-UHFFFAOYSA-N",54598889,NA,"PDBC40420","16440","Present",NA,NA
+"40421","N,N-Diethyl-2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-2-(1,2,3,4-tetrahydrocarbazol-4a-yl)acetamide",NA,"CCN(CC)C(=O)CC12CCCCC1=NC3=CC=CC=C23","SDFGIUVJNPWOFB-UHFFFAOYSA-N",370426,NA,"PDBC40421","643522","Present",NA,NA
+"40422","N,N-Diethyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide",NA,"CCN(CC)C(=O)CN1C2=C(CCCC2)C3=CC=CC=C31","FPZIMVKSGIYWTC-UHFFFAOYSA-N",381584,NA,"PDBC40422","668375","Present",NA,NA
+"40423","N,N-Diethyl-2-(12-methoxy-2,3-dihydro-4H-[1,4]diazepino[5,6,7-mn]imidazo[4,5,1-de]acridin-4-yl)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-2-(4-methoxy-8,10,15,18-tetrazapentacyclo[9.7.2.02,7.08,20.014,19]icosa-1(18),2(7),3,5,9,11(20),12,14(19)-octaen-15-yl)ethanamine",NA,"CCN(CC)CCN1CCN=C2C3=C(C=CC(=C3)OC)N4C=NC5=C4C2=C1C=C5","POHDDFXTASTRKP-UHFFFAOYSA-N",377158,NA,"PDBC40423","658360","Present",NA,NA
+"40424","N,N-Diethyl-2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanamine",NA,"CCN(CC)CCN1CCNC2=C3C=C(C=CC3=NC4=C(C=CC1=C24)[N+](=O)[O-])OC","ALZPIPCMTONTND-UHFFFAOYSA-N",377154,NA,"PDBC40424","658356","Present",NA,NA
+"40425","N,N-Diethyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-2-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide",NA,"CCN(CC)C(=O)C(C)N1C=C(C(=O)NC1=O)C","FYBRTGYPCOIHHQ-UHFFFAOYSA-N",376200,NA,"PDBC40425","656737","Present",NA,NA
+"40426","N,N-Diethyl-2-[(5Z)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N,N-Diethyl 2-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-...",NA,"CCN(CC)C(=O)CC1=C(C(=CC2=C(C=C(N2)C3=CC=CN3)OC)N=C1C)C","JQWUHFXEGONPOQ-PDGQHHTCSA-N",155810237,NA,"PDBC40426","787813","Present",NA,NA
+"40427","N,N-Diethyl-2-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-2-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]ethanamine",NA,"CCN(CC)CCOCCN1C2=C(CCCC2)C3=CC=CC=C31","FJOWPJOANPZQLD-UHFFFAOYSA-N",382630,NA,"PDBC40427","670271","Present",NA,NA
+"40428","N,N-Diethyl-2-nitro-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-2-nitro-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carboxamide",NA,"CCN(CC)C(=O)C1=C2NC3=CC=CC=C3N2C(=O)C(=C1)[N+](=O)[O-]","CZBGAPBNIDWVRF-UHFFFAOYSA-N",383768,NA,"PDBC40428","672212","Present",NA,NA
+"40429","N,N-Diethyl-3-((2-(1H-indol-3-yl)-1-methylethyl)amino)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-3-((2-(1H-indol-3-yl)-1-methylethyl)amino)propanamide",NA,"CCN(CC)C(=O)CCNC(C)CC1=CNC2=CC=CC=C21","QXIZFJUBPMECID-UHFFFAOYSA-N",380035,NA,"PDBC40429","665330","Present",NA,NA
+"40430","N,N-Diethyl-3-(3,3-dimethyltriazeno)-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-153989",NA,"CCN(CC)C(=O)C1=CC(=C(C=C1)C)N=NN(C)C","CQIDYALDGZXXJP-UHFFFAOYSA-N",374086,NA,"PDBC40430","651346","Present",NA,NA
+"40431","N,N-Diethyl-3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-3-(5-fluoro-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)propanamide",NA,"CCN(CC)C(=O)CCN1C=C(C(=O)NC1=O)F","MNPCCGHAGUZRRE-UHFFFAOYSA-N",376202,NA,"PDBC40431","656739","Present",NA,NA
+"40432","N,N-Diethyl-3-(isonicotinoylhydrazono)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-3-(isonicotinoylhydrazono)butanamide",NA,"CCN(CC)C(=O)CC(=NNC(=O)C1=CC=NC=C1)C","RHVNVBUFFOQJLV-LFIBNONCSA-N",9571669,NA,"PDBC40432","641865","Present",NA,NA
+"40433","N,N-Diethyl-4,4'-diisopropoxy-2',3'-dimethoxy-6'-methyl[1,1'-biphenyl]-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-4,4'-diisopropoxy-2',3'-dimethoxy-6'-methyl[1,1'-biphenyl]-2-carboxamide",NA,"CCN(CC)C(=O)C1=C(C=CC(=C1)OC(C)C)C2=C(C(=C(C=C2C)OC(C)C)OC)OC","AUDTWBLYCSHTIM-UHFFFAOYSA-N",375114,NA,"PDBC40433","654237","Present",NA,NA
+"40434","N,N-Diethyl-4-((4-[1,3]oxazolo[5,4-b]pyridin-2-ylphenyl)diazenyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-4-((4-[1,3]oxazolo[5,4-b]pyridin-2-ylphenyl)diazenyl)aniline",NA,"CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(O3)N=CC=C4","XYKLAAMYYOXMHR-UHFFFAOYSA-N",365517,NA,"PDBC40434","633205","Present",NA,NA
+"40435","N,N-Diethyl-4-((4-[1,3]thiazolo[5,4-b]pyridin-2-ylphenyl)diazenyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-4-((4-[1,3]thiazolo[5,4-b]pyridin-2-ylphenyl)diazenyl)aniline",NA,"CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(S3)N=CC=C4","YBRWUZQEDAGCAK-UHFFFAOYSA-N",366876,NA,"PDBC40435","635920","Present",NA,NA
+"40436","N,N-Diethyl-4-(7-methyl-6-(4-morpholinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)cyclohexanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-4-(7-methyl-6-morpholin-4-yl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)cyclohexan-1-amine",NA,"CCN(CC)C1CCC(CC1)C2C(C(OC3=CC4=C(C=C23)OCO4)N5CCOCC5)C","OHPQBXGMPNAMEP-UHFFFAOYSA-N",380589,NA,"PDBC40436","666239","Present",NA,NA
+"40437","N,N-Diethyl-4-(ethylamino)-2-hydroxy[1,8]naphthyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-4-(ethylamino)-2-hydroxy[1,8]naphthyridine-3-carboxamide",NA,"CCNC1=C(C(=O)NC2=C1C=CC=N2)C(=O)N(CC)CC","KNVXVFLLCBTPEV-UHFFFAOYSA-N",369337,NA,"PDBC40437","641092","Present",NA,NA
+"40438","N,N-Diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride",NA,"CCN(CC)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C.Cl.[Cl-]","DGHYHRURJCIKPS-UHFFFAOYSA-M",54605565,NA,"PDBC40438","31777","Present",NA,NA
+"40439","N,N-Diethyl-4-[(E)-2-(4-methylquinolin-2-yl)ethenyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-4-[(E)-2-(4-methylquinolin-2-yl)ethenyl]aniline",NA,"CCN(CC)C1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3C(=C2)C","GNKKEOQOUXCYQD-JLHYYAGUSA-N",5912102,NA,"PDBC40439","16520","Present",NA,NA
+"40440","N,N-Diethyl-4-[(Z)-(1-phenylimidazo[1,5-a]benzimidazol-3-ylidene)methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-4-[(Z)-(1-phenylimidazo[1,5-a]benzimidazol-3-ylidene)methyl]aniline",NA,"CCN(CC)C1=CC=C(C=C1)C=C2C3=NC4=CC=CC=C4N3C(=N2)C5=CC=CC=C5","GWFBLCIAKFHXBS-NKFKGCMQSA-N",5472493,NA,"PDBC40440","719481","Present",NA,NA
+"40441","N,N-Diethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline",NA,"CCN(CC)C1=CC=C(C=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC","QSGXVBYFOGLRIO-UHFFFAOYSA-N",45028261,NA,"PDBC40441","741943","Present",NA,NA
+"40442","N,N-Diethyl-4-[[4-(4-methyl-[1,3]oxazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]diazenyl]aniline;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-{(E)-[4-(Diethylamino)phenyl]diazenyl}phenyl)-4-methyl[1,3]oxazolo[5,4-b]pyridin-4-ium iodide",NA,"CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(O3)[N+](=CC=C4)C.[I-]","VELNGNNTYHKYNE-UHFFFAOYSA-M",366874,NA,"PDBC40442","635919","Present",NA,NA
+"40443","N,N-Diethyl-4-[[4-(4-methyl-[1,3]thiazolo[5,4-b]pyridin-4-ium-2-yl)phenyl]diazenyl]aniline;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-{(E)-[4-(Diethylamino)phenyl]diazenyl}phenyl)-4-methyl[1,3]thiazolo[5,4-b]pyridin-4-ium iodide",NA,"CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=C(S3)[N+](=CC=C4)C.[I-]","IGPBONGWXWJHSS-UHFFFAOYSA-M",366877,NA,"PDBC40443","635921","Present",NA,NA
+"40444","N,N-Diethyl-4-nitrosoaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Nitroso-N,N-diethylaniline",NA,"CCN(CC)C1=CC=C(C=C1)N=O","OLNMJIHADFYHAK-UHFFFAOYSA-N",67115,NA,"PDBC40444","5418","Present",NA,NA
+"40445","N,N-Diethyl-4-thioformyl-1-piperazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(N,N-Diethylcarbomoyl)-4-thioformylpiperazine",NA,"CCN(CC)C(=O)N1CCN(CC1)C=S","AEKVIELSZPLNEX-UHFFFAOYSA-N",367807,NA,"PDBC40445","637832","Present",NA,NA
+"40446","N,N-Diethyl-4H-imidazo[1,2-a][1,5]benzodiazepin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-4H-imidazo[1,2-a][1,5]benzodiazepin-5-amine",NA,"CCN(CC)C1=NC2=CC=CC=C2N3C=CN=C3C1","KXXPWIYUYZWVOO-UHFFFAOYSA-N",387311,NA,"PDBC40446","681024","Present",NA,NA
+"40447","N,N-Diethyl-5,8-dimethoxy-1-naphthamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-5,8-dimethoxy-1-naphthamide",NA,"CCN(CC)C(=O)C1=CC=CC2=C(C=CC(=C21)OC)OC","PJCDEHFJFYBMLA-UHFFFAOYSA-N",362071,NA,"PDBC40447","625594","Present",NA,NA
+"40448","N,N-Diethyl-6-(13-hydroxy-12,14-dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-6-(6-hydroxy-5,7-dioxo-5,6,7,13-tetrahydro-1...",NA,"CCN(CC)C(=O)CCCCCN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6NC5=C31)C(=O)N(C4=O)O","ZPKLQEVXAOYEQS-UHFFFAOYSA-N",155807108,NA,"PDBC40448","783515","Present",NA,NA
+"40449","N,N-Diethyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,"CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)C","FEMIEKUWTKIHRN-UHFFFAOYSA-N",381388,NA,"PDBC40449","667928","Present",NA,NA
+"40450","N,N-Diethyl-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-8-(4-methoxyphenyl)-7-methyl-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,"CCN(CC)C1C(C(C2=CC3=C(C=C2O1)OCO3)C4=CC=C(C=C4)OC)C","WWDZZJZRKOMCFQ-UHFFFAOYSA-N",381368,NA,"PDBC40450","667908","Present",NA,NA
+"40451","N,N-Diethyl-9-(oxiran-2-yl)nonanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-9-(oxiran-2-yl)nonanamide",NA,"CCN(CC)C(=O)CCCCCCCCC1CO1","PGTBVUYPUTVKDJ-UHFFFAOYSA-N",389881,NA,"PDBC40451","686509","Present",NA,NA
+"40452","N,N-Diethyl-N'-(5-methyl-9-methoxy-6H-pyridazino[4,5-b]carbazole-4-yl)-1,3-propanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethyl-N'-(5-methyl-9-methoxy-6H-pyridazino[4,5-b]carbazole-4-yl)-1,3-propanediamine",NA,"CCN(CC)CCCNC1=C2C(=C3C(=C4C=C(C=CC4=N3)OC)C=C2C=NN1)C","CBLMWYVRDBKVBG-UHFFFAOYSA-N",396093,NA,"PDBC40452","701617","Present",NA,NA
+"40453","N,N-Diethyldithiocarbamic acid 2-[(5-phenyl-1,3,4-oxadiazole-2-yl)amino]-2-oxo-1-phenylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] diethylaminomethanedithioate",NA,"CCN(CC)C(=S)SC(C1=CC=CC=C1)C(=O)NC2=NN=C(O2)C3=CC=CC=C3","CDPQDKIBQOUTTN-UHFFFAOYSA-N",399284,NA,"PDBC40453","709973","Present",NA,NA
+"40454","N,N-Diethyldithiocarbamic acid 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-yl]amino]-2-oxo-1-phenylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino}-2-oxo-1-phenylethyl diethyldithiocarbamate",NA,"CCN(CC)C(=S)SC(C1=CC=CC=C1)C(=O)NC2=NN=C(O2)C3=CC=C(C=C3)Cl","SHQMTKDJRXHZIW-UHFFFAOYSA-N",404492,NA,"PDBC40454","720728","Present",NA,NA
+"40455","N,N-Diethylethanamine;6-[2-(4-hydroxy-3-nitrophenyl)ethylamino]-1H-benzimidazole-4,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diethylethanamine;6-[2-(4-hydroxy-3-nitrophenyl)ethylamino]-1H-benzimidazole-4,7-dione",NA,"CCN(CC)CC.C1=CC(=C(C=C1CCNC2=CC(=O)C3=C(C2=O)NC=N3)[N+](=O)[O-])O","AEHSNFQJTOLLID-UHFFFAOYSA-N",24202492,NA,"PDBC40455","673320","Present",NA,NA
+"40456","N,N-Diheptylquinoline-4-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC21529",NA,"CCCCCCCN(CCCCCCC)C(=N)C1=CC=NC2=CC=CC=C12","IMGPGBFUGOSGFK-UHFFFAOYSA-N",409495,NA,"PDBC40456","21529","Present",NA,NA
+"40457","N,N-Dihexyl-2-(6H-isoindolo[2,1-a]indol-11-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dihexyl-2-(6H-isoindolo[2,1-a]indol-11-yl)acetamide",NA,"CCCCCCN(CCCCCC)C(=O)CC1=C2C3=CC=CC=C3CN2C4=CC=CC=C41","TZWKIWBBKZFDIF-UHFFFAOYSA-N",374073,NA,"PDBC40457","651333","Present",NA,NA
+"40458","N,N-Dihexylquinoline-4-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dihexylquinoline-4-carboximidamide",NA,"CCCCCCN(CCCCCC)C(=N)C1=CC=NC2=CC=CC=C12","YISMMPSEZVTBAS-UHFFFAOYSA-N",408791,NA,"PDBC40458","15812","Present",NA,NA
+"40459","N,N-Diisopentyl-N-(10-(6-methoxy-3,4-dihydro-1(2H)-quinolinyl)decyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diisopentyl-N-(10-(6-methoxy-3,4-dihydro-1(2H)-quinolinyl)decyl)amine",NA,"CC(C)CCN(CCCCCCCCCCN1CCCC2=C1C=CC(=C2)OC)CCC(C)C","BZENKGUITGGMBW-UHFFFAOYSA-N",222785,NA,"PDBC40459","9691","Present",NA,NA
+"40460","N,N-Diisopropyl-1-adamantanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diisopropyl-1-adamantanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12CC3CC(C1)CC(C3)C2","VADNJKCDNAJFKT-UHFFFAOYSA-N",369222,NA,"PDBC40460","640928","Present",NA,NA
+"40461","N,N-Diisopropyl-1-methylcyclopropanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diisopropyl-1-methylcyclopropanecarboxamide",NA,"CC(C)N(C(C)C)C(=O)C1(CC1)C","JJVRMEYNAUPAHC-UHFFFAOYSA-N",369219,NA,"PDBC40461","640925","Present",NA,NA
+"40462","N,N-Diisopropyl-2-methyl-2,3-butadienamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diisopropyl-2-methyl-2,3-butadienamide",NA,"CC(C)N(C(C)C)C(=O)C(=C=C)C","JXEKLZNUOPSKKE-UHFFFAOYSA-N",376272,NA,"PDBC40462","656979","Present",NA,NA
+"40463","N,N-Diisopropyl-3-(3,3-dimethyltriazeno)-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-153991",NA,"CC1=C(C=C(C=C1)C(=O)N(C(C)C)C(C)C)N=NN(C)C","JQEOTXIMIBXSLR-UHFFFAOYSA-N",374087,NA,"PDBC40463","651347","Present",NA,NA
+"40464","N,N-Dimethyl-1,2,3-triphenylbenzo[a]cyclopenta[i]azulen-7a(8H)-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-2,3,4-triphenyltetracyclo[8.7.0.01,5.012,17]heptadeca-2,4,6,8,12,14,16-heptaen-10-amine",NA,"CN(C)C12CC3=CC=CC=C3C14C(=C(C(=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C=CC=C2","BDTOIQFSBKFLQC-UHFFFAOYSA-N",378128,NA,"PDBC40464","659929","Present",NA,NA
+"40465","N,N-Dimethyl-1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-1,2,9,10-tetramethoxy-4,5-dihydro-6H-dibenzo[de,g]quinoline-6-carboxamide",NA,"CN(C)C(=O)N1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC","SPHVROZECOQNIP-UHFFFAOYSA-N",374651,NA,"PDBC40465","652709","Present",NA,NA
+"40466","N,N-Dimethyl-1-(1H-perimidin-2-yl)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-1-(1H-perimidin-2-yl)methanamine",NA,"CN(C)CC1=NC2=CC=CC3=C2C(=CC=C3)N1","ZZVTWGULKUBWQL-UHFFFAOYSA-N",353551,NA,"PDBC40466","602132","Present",NA,NA
+"40467","N,N-Dimethyl-1-methyl-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-1-methyl-5-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)pyrrolidine-2-carboxamide",NA,"CC1(OC(=O)C(=C2CCC(N2C)C(=O)N(C)C)C(=O)O1)C","SKZPUBHMDAOEGT-UHFFFAOYSA-N",366816,NA,"PDBC40467","635588","Present",NA,NA
+"40468","N,N-Dimethyl-11,12-diphenyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-11,12-diphenyl-10-oxa-3,4,6,8-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",NA,"CN(C)C1=NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C5=NN=CN51","CRLBOYOENZCPQE-UHFFFAOYSA-N",389707,NA,"PDBC40468","686273","Present",NA,NA
+"40469","N,N-Dimethyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-1H-[1,2,3]triazolo[4,5-d]pyridazin-4-amine",NA,"CN(C)C1=NN=CC2=NNN=C21","FCHFKMLZUBBMHA-UHFFFAOYSA-N",391403,NA,"PDBC40469","690576","Present",NA,NA
+"40470","N,N-Dimethyl-1H-benzimidazol-3-ium-2-amine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624859",NA,"CN(C)C1=[NH+]C2=CC=CC=C2N1.[Cl-]","PNIQZVXRZZNCIJ-UHFFFAOYSA-N",361640,NA,"PDBC40470","624859","Present",NA,NA
+"40471","N,N-Dimethyl-1H-imidazo[4,5-d]pyridazin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-1H-imidazo[4,5-d]pyridazin-4-amine",NA,"CN(C)C1=C2C(=CN=N1)NC=N2","MMCSGQASAJUBEH-UHFFFAOYSA-N",5469587,NA,"PDBC40471","690571","Present",NA,NA
+"40472","N,N-Dimethyl-1H-imidazole-1-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK-87895",NA,"CN(C)S(=O)(=O)N1C=CN=C1","YRRWNBMOJMMXQY-UHFFFAOYSA-N",395751,NA,"PDBC40472","700551","Present",NA,NA
+"40473","N,N-Dimethyl-2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)ethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-2-(2,10,12-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),2,4,6,8,11,13,15,17,19-decaen-10-yl)ethanamine;hydrochloride",NA,"CN(C)CCN1C2=CC=CC=C2C3=NC4=CC5=CC=CC=C5C=C4N=C31.Cl","ZHHRQXHCIZENOY-UHFFFAOYSA-N",374016,NA,"PDBC40473","651089","Present",NA,NA
+"40474","N,N-Dimethyl-2-(3-(methylthio)-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-2-(3-(methylthio)-2-oxo-2,3-dihydro-1H-indol-3-yl)acetamide",NA,"CN(C)C(=O)CC1(C2=CC=CC=C2NC1=O)SC","QGYVLFOCVYORLH-UHFFFAOYSA-N",326649,NA,"PDBC40474","298329","Present",NA,NA
+"40475","N,N-Dimethyl-2-(3-methylene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-2-(3-methylene-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl)acetamide",NA,"CN(C)C(=O)CC1CC2C3=C(CCN2CC1=C)C4=CC=CC=C4N3","BJEIILJEIDCRBZ-UHFFFAOYSA-N",372697,NA,"PDBC40475","648230","Present",NA,NA
+"40476","N,N-Dimethyl-2-(4-(1-methyl-2-phenyl-3-indolizinyl)phenoxy)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Indolizine, 1-methyl-3-[4-[2-(dimethylamino)ethoxy]pheny...",NA,"CC1=C2C=CC=CN2C(=C1C3=CC=CC=C3)C4=CC=C(C=C4)OCCN(C)C","AGCVPOVKAQCEKZ-UHFFFAOYSA-N",389733,NA,"PDBC40476","686324","Present",NA,NA
+"40477","N,N-Dimethyl-2-(4-methoxyphenyl)quinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-2-(4-methoxyphenyl)quinazolin-4-amine",NA,"CN(C)C1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC","JVOKIEZNGGWAMQ-UHFFFAOYSA-N",400608,NA,"PDBC40477","712730","Present",NA,NA
+"40478","N,N-Dimethyl-2-[11-(3,4,5-trimethoxyphenyl)pyrido[3,2-c][1,7]phenanthrolin-6-yl]oxyethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(2-Dimethylaminoethoxy)-11-(3,4,5-trimethoxyphenyl)pyr...",NA,"CN(C)CCOC1=NC2=C(C(=CC3=C2C=CC=N3)C4=CC(=C(C(=C4)OC)OC)OC)C5=C1C=CC=N5","LPKNLVKGPPYQJC-UHFFFAOYSA-N",155813897,NA,"PDBC40478","784600","Present",NA,NA
+"40479","N,N-Dimethyl-3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-3-(1,2,3,4-tetrahydrocarbazol-4a-yl)propan-1-amine",NA,"CN(C)CCCC12CCCCC1=NC3=CC=CC=C23","HVKJPXSPPGSOPY-UHFFFAOYSA-N",386071,NA,"PDBC40479","677642","Present",NA,NA
+"40480","N,N-Dimethyl-3-(1-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-3-(1-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride",NA,"CN(C)CCCN1C2=CC=CC=C2CCC3=C1C(=CC=C3)[N+](=O)[O-].Cl","HAQWJZCGKALYLC-UHFFFAOYSA-N",398618,NA,"PDBC40480","708567","Present",NA,NA
+"40481","N,N-Dimethyl-3-(2-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-3-(2-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;oxalic acid",NA,"CN(C)CCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)[N+](=O)[O-].C(=O)(C(=O)O)O","GQJMDSSBYVNXCH-UHFFFAOYSA-N",401835,NA,"PDBC40481","715548","Present",NA,NA
+"40482","N,N-Dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;hydrochloride",NA,"CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)[N+](=O)[O-].Cl","SZAPMNRTHLHSPU-UHFFFAOYSA-N",402566,NA,"PDBC40482","716685","Present",NA,NA
+"40483","N,N-Dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-3-(3-nitro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)propan-1-amine;oxalic acid",NA,"CN(C)CCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)[N+](=O)[O-].C(=O)(C(=O)O)O","IZOTWZOVUQCKOY-UHFFFAOYSA-N",401802,NA,"PDBC40483","715530","Present",NA,NA
+"40484","N,N-Dimethyl-3-(4H-1,2,4-triazol-3-ylimino)-3H-1,2,4-dithiazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-3-(4H-1,2,4-triazol-3-ylimino)-3H-1,2,4-dithiazol-5-amine",NA,"CN(C)C1=NC(=NC2=NC=NN2)SS1","OSLVCCYTNJUVMW-UITAMQMPSA-N",9569878,NA,"PDBC40484","622660","Present",NA,NA
+"40485","N,N-Dimethyl-3-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]propan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-3-[2-(1,2,3,4-tetrahydrocarbazol-9-yl)ethoxy]propan-1-amine",NA,"CN(C)CCCOCCN1C2=C(CCCC2)C3=CC=CC=C31","VTFULHITJBSZRY-UHFFFAOYSA-N",382631,NA,"PDBC40485","670272","Present",NA,NA
+"40486","N,N-Dimethyl-3-pyridin-3-ylpropan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZJINUQHUNJMQFN-UHFFFAOYSA-N",NA,"CN(C)CCCC1=CN=CC=C1","ZJINUQHUNJMQFN-UHFFFAOYSA-N",238309,NA,"PDBC40486","42636","Present",NA,NA
+"40487","N,N-Dimethyl-4,6-bis[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4,6-bis[3-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride",NA,"CC1CN=C(N1)C2=CC=CC(=C2)C3=NC(=NC(=N3)N(C)C)C4=CC(=CC=C4)C5=NCC(N5)C.Cl","CXTPCISAJLQRQI-UHFFFAOYSA-N",399691,NA,"PDBC40487","710607","Present",NA,NA
+"40488","N,N-Dimethyl-4,6-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4,6-bis[4-(5-methyl-4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,3,5-triazin-2-amine;hydrochloride",NA,"CC1CN=C(N1)C2=CC=C(C=C2)C3=NC(=NC(=N3)N(C)C)C4=CC=C(C=C4)C5=NCC(N5)C.Cl","DOLSQHJGXKGDCZ-UHFFFAOYSA-N",399693,NA,"PDBC40488","710608","Present",NA,NA
+"40489","N,N-Dimethyl-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4-(7-methyl-6-(1-pyrrolidinyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-yl)aniline",NA,"CC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC=C(C=C5)N(C)C","VEINRYGCKDRNLM-UHFFFAOYSA-N",380583,NA,"PDBC40489","666233","Present",NA,NA
+"40490","N,N-Dimethyl-4-[(3-methylpyridin-4-yl)diazenyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4-[(E)-(3-methylpyridin-4-yl)diazenyl]aniline",NA,"CC1=C(C=CN=C1)N=NC2=CC=C(C=C2)N(C)C","DWOGGSUZDXKLIH-UHFFFAOYSA-N",298478,NA,"PDBC40490","170639","Present",NA,NA
+"40491","N,N-Dimethyl-4-[(E)-2-(1-methyl-2,5-diphenylpyrazol-1-ium-3-yl)ethenyl]aniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4-[(E)-2-(1-methyl-2,5-diphenylpyrazol-1-ium-3-yl)ethenyl]aniline;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C(N1C2=CC=CC=C2)C=CC3=CC=C(C=C3)N(C)C)C4=CC=CC=C4.C(F)(F)(F)S(=O)(=O)[O-]","LBTIJJHGPFFAPZ-UHFFFAOYSA-M",5469868,NA,"PDBC40491","693576","Present",NA,NA
+"40492","N,N-Dimethyl-4-[(E,3Z)-3-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)prop-1-enyl]aniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4-[(E,3Z)-3-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)prop-1-enyl]aniline;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC=CC4=CC=C(C=C4)N(C)C)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","DNLNFVZGMBQFNX-UHFFFAOYSA-M",5470319,NA,"PDBC40492","699477","Present",NA,NA
+"40493","N,N-Dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4-[(Z)-(1-methyl-2-phenylpyrazolo[1,5-a]indol-1-ium-4-ylidene)methyl]aniline;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)C5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","GWIVOWYTVDQWOM-UHFFFAOYSA-M",5469858,NA,"PDBC40493","693571","Present",NA,NA
+"40494","N,N-Dimethyl-4-[(Z)-(6-methyl-7,8,9,10-tetrahydroindolo[1,2-b]indazol-6-ium-11-ylidene)methyl]aniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-(4-Dimethylaminobenzyliden)-6-methyl-7,8,9,10-tetrahy...",NA,"C[N+]1=C2CCCCC2=C3N1C4=CC=CC=C4C3=CC5=CC=C(C=C5)N(C)C.C(F)(F)(F)S(=O)(=O)[O-]","DOARKRWMRODJNP-UHFFFAOYSA-M",5472653,NA,"PDBC40494","720623","Present",NA,NA
+"40495","N,N-Dimethyl-4-[(Z)-[1-methyl-2-[(E)-2-phenylethenyl]pyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]aniline;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4-[(Z)-[1-methyl-2-[(E)-2-phenylethenyl]pyrazolo[1,5-a]indol-1-ium-4-ylidene]methyl]aniline;trifluoromethanesulfonate",NA,"C[N+]1=C(C=C2N1C3=CC=CC=C3C2=CC4=CC=C(C=C4)N(C)C)C=CC5=CC=CC=C5.C(F)(F)(F)S(=O)(=O)[O-]","PSROBECGVMEYHD-PUBYZPQMSA-M",5471040,NA,"PDBC40495","707773","Present",NA,NA
+"40496","N,N-Dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]aniline",NA,"CN(C)C1=CC=C(C=C1)C2CC(=NN2)C3=CC(=C(C(=C3)OC)OC)OC","NJUMGXRDWXQICJ-UHFFFAOYSA-N",45028258,NA,"PDBC40496","741940","Present",NA,NA
+"40497","N,N-Dimethyl-4-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-p-nitrobenzamide",NA,"CN(C)C(=O)C1=CC=C(C=C1)[N+](=O)[O-]","WYOXDERVKORKJN-UHFFFAOYSA-N",138975,NA,"PDBC40497","406843","Present",NA,NA
+"40498","N,N-Dimethyl-5-(2-oxohydrazino)-1,2,3-thiadiazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-5-(2-oxohydrazino)-1,2,3-thiadiazole-4-carboxamide",NA,"CN(C)C(=O)C1=C(SN=N1)NN=O","XMBDAHICYLHPSO-UHFFFAOYSA-N",389964,NA,"PDBC40498","686666","Present",NA,NA
+"40499","N,N-Dimethyl-8,9-diphenylfuro[3,2-e]tetraazolo[1,5-c]pyrimidin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-11,12-diphenyl-10-oxa-3,4,5,6,8-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine",NA,"CN(C)C1=NC2=C(C(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4)C5=NN=NN51","ZLVAHINNJGKFGQ-UHFFFAOYSA-N",389709,NA,"PDBC40499","686275","Present",NA,NA
+"40500","N,N-Dimethyl-N'-(1H-[1,2,3]triazolo[4,5-d]pyridazin-4-yl)imidoformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-N'-(1H-[1,2,3]triazolo[4,5-d]pyridazin-4-yl)imidoformamide",NA,"CN(C)C=NC1=NN=CC2=NNN=C21","RMDOYEVAYHWPMH-UHFFFAOYSA-N",391404,NA,"PDBC40500","690577","Present",NA,NA
+"40501","N,N-Dimethyl-N'-(2-bromoallyl)formamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-69581",NA,"CN(C)C=NCC(=C)Br","UVGQWRXKUXYVOQ-UHFFFAOYSA-N",58280,NA,"PDBC40501","665667","Present",NA,NA
+"40502","N,N-Dimethyl-N'-(2-morpholinoethyl)formamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-N'-(2-morpholinoethyl)formamidine",NA,"CN(C)C=NCCN1CCOCC1","VVNXNKDQJUQZOS-UHFFFAOYSA-N",380200,NA,"PDBC40502","665663","Present",NA,NA
+"40503","N,N-Dimethyl-N'-(4-methyl-5-(methylimino)-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-N'-(4-methyl-5-(methylimino)-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,"CN=C1N(C(=NC(=S)N(C)C)SS1)C","WSURTLLMPHEBQH-FRYQIGRPSA-N",9569874,NA,"PDBC40503","622651","Present",NA,NA
+"40504","N,N-Dimethyl-N'-(4-methyl-5-(phenylimino)-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-N'-(4-methyl-5-(phenylimino)-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,"CN1C(=NC2=CC=CC=C2)SSC1=NC(=S)N(C)C","CLTQXRQZNGPZGB-GZEYDJJDSA-N",9569881,NA,"PDBC40504","622675","Present",NA,NA
+"40505","N,N-Dimethyl-N'-(4-methyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-N'-(4-methyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,"CN1C(=NC(=S)N(C)C)SSC1=S","ZRRMDDHTHVEELU-ALCCZGGFSA-N",6063283,NA,"PDBC40505","622658","Present",NA,NA
+"40506","N,N-Dimethyl-N'-(4-phenyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-N'-(4-phenyl-5-thioxo-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,"CN(C)C(=S)N=C1N(C(=S)SS1)C2=CC=CC=C2","DIAZUBDZEAMEMY-BENRWUELSA-N",9569883,NA,"PDBC40506","622680","Present",NA,NA
+"40507","N,N-Dimethyl-N'-(5-(methylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-N'-(5-(methylimino)-4-phenyl-1,2,4-dithiazolidin-3-ylidene)thiourea",NA,"CN=C1N(C(=NC(=S)N(C)C)SS1)C2=CC=CC=C2","CLWMHGBILJEHBA-GZEYDJJDSA-N",9569880,NA,"PDBC40507","622673","Present",NA,NA
+"40508","N,N-Dimethyl-N'-[(4-phenyl-7,8-dichloropyrrolo[1,2-a]quinoxaline-1-yl)methyl]-1,2-ethanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-N'-[(4-phenyl-7,8-dichloropyrrolo[1,2-a]quinoxaline-1-yl)methyl]-1,2-ethanediamine",NA,"CN(C)CCNCC1=CC=C2N1C3=CC(=C(C=C3N=C2C4=CC=CC=C4)Cl)Cl","DEKZGQFBQFDOJE-UHFFFAOYSA-N",399234,NA,"PDBC40508","709907","Present",NA,NA
+"40509","N,N-Dimethyl-p-(7-benzofurylazo)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(p-N,N-Dimethylaminophenylazo)benzofuran",NA,"CN(C)C1=CC=C(C=C1)N=NC2=CC=CC3=C2OC=C3","LHVRXAUETJRESN-UHFFFAOYSA-N",39164,NA,"PDBC40509","680515","Present",NA,NA
+"40510","N,N-Dimethyl-p-phenylenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dmpd",NA,"CN(C)C1=CC=C(C=C1)N","BZORFPDSXLZWJF-UHFFFAOYSA-N",7472,NA,"PDBC40510","1493","Present",NA,NA
+"40511","N,N-Dimethyldaunomycin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyldaunomycin hydrochloride",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)N(C)C)O.Cl","LXUULYQZJJTFOD-MUUKTGSOSA-N",5351276,NA,"PDBC40511","258812","Present",NA,NA
+"40512","N,N-Dimethyldiethylenetriamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n,n-dimethyldiethylenetriamine",NA,"CN(C)CCNCCN","HLTMVWQXGLNLCU-UHFFFAOYSA-N",90424,NA,"PDBC40512","345672","Present",NA,NA
+"40513","N,N-Dimethyldithiocarbamic acid 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazole-2-yl]amino]-2-oxo-1-methylethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] N,N-dimethylcarbamodithioate",NA,"CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N(C)C","WLZKUZUIXOKTKB-UHFFFAOYSA-N",399292,NA,"PDBC40513","709981","Present",NA,NA
+"40514","N,N-Dimethylformamide;6-oxo-4-phenyl-N-(2H-tetrazol-5-yl)-1H-pyrimidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethylformamide;6-oxo-4-phenyl-N-(2H-tetrazol-5-yl)-1H-pyrimidine-2-carboxamide",NA,"CN(C)C=O.C1=CC=C(C=C1)C2=CC(=O)NC(=N2)C(=O)NC3=NNN=N3","SYRGEOSFLHQQGA-UHFFFAOYSA-N",135403622,NA,"PDBC40514","381469","Present",NA,NA
+"40515","N,N-Dimethylmethanamine;[hydroxy-[[1-[[1-[[(6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]methylidene]boron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethylmethanamine;[hydroxy-[[1-[[1-[[(6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]methylidene]boron",NA,NA,NA,NA,NA,"PDBC40515","681951","Present",NA,NA
+"40516","N,N-Dioctylquinoline-4-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dioctylquinoline-4-carboximidamide",NA,"CCCCCCCCN(CCCCCCCC)C(=N)C1=CC=NC2=CC=CC=C12","MPYLKLHSRRVGHR-UHFFFAOYSA-N",408792,NA,"PDBC40516","15814","Present",NA,NA
+"40517","N,N-Diphenylbenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diphenylbenzamidine",NA,"C1=CC=C(C=C1)C(=N)N(C2=CC=CC=C2)C3=CC=CC=C3","PTXGUWDEUKICHG-UHFFFAOYSA-N",361541,NA,"PDBC40517","624721","Present",NA,NA
+"40518","N,N-Trimethyl-L-valine ester quaternary ammonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n,n,n-trimethyl-l-valine ester quaternary ammonium chloride",NA,"CC1CCCC=CC2CC(CC2C(C=CC(=O)O1)OC(=O)C(C(C)C)[N+](C)(C)C)O.[Cl-]","OOCJZVKIGHFYPJ-WKXPOXDISA-M",45029229,NA,"PDBC40518","745675","Present",NA,NA
+"40519","N,N-diethyl-thioxo-[?]amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-diethyl-thioxo-[?]amine",NA,"CCN(CC)P1(=S)OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54","GPFLMVFBKXXXDZ-UHFFFAOYSA-N",393588,NA,"PDBC40519","695659","Present",NA,NA
+"40520","N,O-Bis(2-chloroethyl)-N-(4-nitrobenzyl)hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,O-bis(2-chloroethyl)-N-(4-nitrobenzyl)hydroxylamine",NA,"C1=CC(=CC=C1CN(CCCl)OCCCl)[N+](=O)[O-]","PQPPSCQFNKLBFD-UHFFFAOYSA-N",382453,NA,"PDBC40520","670017","Present",NA,NA
+"40521","N,O-Bis(3,4-dihydroxycinnamoyl)serine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,O-Bis(3,4-dihydroxycinnamoyl)serine",NA,"C1=CC(=C(C=C1C=CC(=O)NC(COC(=O)C=CC2=CC(=C(C=C2)O)O)C(=O)O)O)O","WFYGCZYSNOMCDF-FCXRPNKRSA-N",5470545,NA,"PDBC40521","702988","Present",NA,NA
+"40522","N,O-Diacetyljervine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n,o-diacetyljervine",NA,"CC1CC2C(C(C3(O2)CCC4C5CC=C6CC(CCC6(C5C(=O)C4=C3C)C)OC(=O)C)C)N(C1)C(=O)C","AETQSOZEKYWGIJ-UHFFFAOYSA-N",347578,NA,"PDBC40522","406352","Present",NA,NA
+"40523","N,n-Diethyl-n-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,1-N-Diethyl-4-N-(7-phenoxyquinolin-4-yl)pentane-1,4-diamine;2-hydroxypropane-1,2,3-tricarboxylic acid",NA,"CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)OC3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","KZZWBYVWADVNFZ-UHFFFAOYSA-N",224741,NA,"PDBC40523","13479","Present",NA,NA
+"40524","N-(((2-Aminoethyl)amino)(diphenyl)methyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(((2-Aminoethyl)amino)(diphenyl)methyl)acetamide",NA,"CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)NCCN","SDGHBFADZAXWJF-UHFFFAOYSA-N",379855,NA,"PDBC40524","664991","Present",NA,NA
+"40525","N-(((2-Methoxy-5-(trifluoromethyl)anilino)carbonyl)oxy)butanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(((2-Methoxy-5-(trifluoromethyl)anilino)carbonyl)oxy)butanimidoyl chloride",NA,"CCCC(=NOC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC)Cl","ZZHGIYUQMJULBM-ODLFYWEKSA-N",9556202,NA,"PDBC40525","672059","Present",NA,NA
+"40526","N-(((3,4-Dichloroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[(3,4-dichlorophenyl)amino] ...",NA,"CC(C)C(=NOC(=O)NC1=CC(=C(C=C1)Cl)Cl)Cl","YSIAAVBFFUMJIS-YBEGLDIGSA-N",9556246,NA,"PDBC40526","682823","Present",NA,NA
+"40527","N-(((3-Chloro-4-fluoroanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[(3-chloro-4-fluorophenyl) a...",NA,"CC(C)C(=NOC(=O)NC1=CC(=C(C=C1)F)Cl)Cl","JOUSUXBSQKEFDO-YBEGLDIGSA-N",9556247,NA,"PDBC40527","682824","Present",NA,NA
+"40528","N-(((4-(Aminosulfonyl)-3-methylanilino)carbonyl)oxy)ethanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanimidoyl chloride, N-[[[[4-(aminosulfonyl)- 3-methyl...",NA,"CC1=C(C=CC(=C1)NC(=O)ON=C(C)Cl)S(=O)(=O)N","YUAZCMKFKLZBJO-AUWJEWJLSA-N",5790897,NA,"PDBC40528","682830","Present",NA,NA
+"40529","N-(((4-Bromoanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[(4-bromophenyl)amino] carbo...",NA,"CC(C)C(=NOC(=O)NC1=CC=C(C=C1)Br)Cl","SBRHCMDMRTVYMD-GDNBJRDFSA-N",9556248,NA,"PDBC40529","682825","Present",NA,NA
+"40530","N-(((4-Fluoro-3-(hydroxy(oxido)amino)anilino)carbonyl)oxy)ethanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetaldehyde, 1-chloro-, O-[[(4-fluoro-3-nitrophenyl) am...",NA,"CC(=NOC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])Cl","SXKGICHRSILUQU-ACAGNQJTSA-N",9556327,NA,"PDBC40530","693883","Present",NA,NA
+"40531","N-(((4-Methoxyphenyl)diazenyl)carbonyl)phenylalanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(((4-Methoxyphenyl)diazenyl)carbonyl)phenylalanine",NA,"COC1=CC=C(C=C1)N=NC(=O)NC(CC2=CC=CC=C2)C(=O)O","QEEFJGYSUOAAFS-UHFFFAOYSA-N",386430,NA,"PDBC40531","678400","Present",NA,NA
+"40532","N-(((5-Chloro-2-methoxyanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[(5-chloro-2-methoxyphenyl) ...",NA,"CC(C)C(=NOC(=O)NC1=C(C=CC(=C1)Cl)OC)Cl","SAERCGDIGOQNCX-WJDWOHSUSA-N",9556260,NA,"PDBC40532","682838","Present",NA,NA
+"40533","N-(((5-Fluoro-2-methylanilino)carbonyl)oxy)-2-methylpropanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[(5-fluoro-2-methylphenyl) a...",NA,"CC1=C(C=C(C=C1)F)NC(=O)ON=C(C(C)C)Cl","IPWGXHOJRNOZAV-WJDWOHSUSA-N",9556257,NA,"PDBC40533","682835","Present",NA,NA
+"40534","N-((1,3-Benzoxazol-2-ylthio)methyl)-N,N-diethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((1,3-Benzoxazol-2-ylthio)methyl)-N,N-diethylamine",NA,"CCN(CC)CSC1=NC2=CC=CC=C2O1","WFDWXVWZXGIIOV-UHFFFAOYSA-N",364064,NA,"PDBC40534","629704","Present",NA,NA
+"40535","N-((1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl)benzenecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((1,3-Dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl)benzenecarbothioamide",NA,"C1=CC=C(C=C1)C(=S)N=CC2=C(C3=CC=CC=C3C2=O)O","XYBIHHCCXRAIMB-UHFFFAOYSA-N",135409096,NA,"PDBC40535","657714","Present",NA,NA
+"40536","N-((1-(((Tert-Butoxycarbonyl)amino)acetyl)-2-pyrrolidinyl)carbonyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((1-(((Tert-Butoxycarbonyl)amino)acetyl)-2-pyrrolidinyl)carbonyl)alanine",NA,"CC(C(=O)O)NC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C","FEKYGMFLLGGTIT-UHFFFAOYSA-N",381446,NA,"PDBC40536","668034","Present",NA,NA
+"40537","N-((1-Aminocyclopentyl)carbonyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DL-Alanine, N-[(1-aminocyclopentyl)carbonyl]-",NA,"CC(C(=O)O)NC(=O)C1(CCCC1)N","KOIWZZHRJVZYBT-UHFFFAOYSA-N",4649050,NA,"PDBC40537","78857","Present",NA,NA
+"40538","N-((1-Benzyl-3-pyrrolidinyl)methyl)-4-quinazolinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((1-Benzyl-3-pyrrolidinyl)methyl)-4-quinazolinamine",NA,"C1CN(CC1CNC2=NC=NC3=CC=CC=C32)CC4=CC=CC=C4","UDUVTWVITKQZKA-UHFFFAOYSA-N",237586,NA,"PDBC40538","41274","Present",NA,NA
+"40539","N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline",NA,"COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","AUBHNBXSNJMTMM-UHFFFAOYSA-N",394503,NA,"PDBC40539","698048","Present",NA,NA
+"40540","N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((2,3-Dimethoxy-6-quinoxalinyl)methyl)-3,4,5-trimethoxyaniline",NA,"COC1=CC(=CC(=C1OC)OC)NCC2=CC3=C(C=C2)N=C(C(=N3)OC)OC","YRVSELIUXNDJCD-UHFFFAOYSA-N",380868,NA,"PDBC40540","666611","Present",NA,NA
+"40541","N-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-N'-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-N'-phenylthiourea",NA,"C1=CC=C(C=C1)NC(=S)N=CC2=C(C3=CC=CC=C3OC2=O)O","HUEYSMZXDSCXGB-VCHYOVAHSA-N",135409056,NA,"PDBC40541","657448","Present",NA,NA
+"40542","N-((2-((4-Methylphenyl)sulfonyl)hydrazino)methyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((2-((4-Methylphenyl)sulfonyl)hydrazino)methyl)benzamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNCNC(=O)C2=CC=CC=C2","XJCVCBOMIPBXLM-UHFFFAOYSA-N",389125,NA,"PDBC40542","684810","Present",NA,NA
+"40543","N-((2-(1H-Indol-3-yl)-1,3-dithiolan-2-yl)methyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((2-(1H-Indol-3-yl)-1,3-dithiolan-2-yl)methyl)propanamide",NA,"CCC(=O)NCC1(SCCS1)C2=CNC3=CC=CC=C32","JODWRPCHUUUVAU-UHFFFAOYSA-N",374532,NA,"PDBC40543","652283","Present",NA,NA
+"40544","N-((2-(Hydroxy(oxido)amino)phenyl)(methoxy)-lambda~4~-sulfanylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((2-(Hydroxy(oxido)amino)phenyl)(methoxy)-lambda~4~-sulfanylidene)benzenesulfonamide",NA,"COS(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2[N+](=O)[O-]","FQSXCBXRSPJKBF-UHFFFAOYSA-N",5911712,NA,"PDBC40544","648480","Present",NA,NA
+"40545","N-((3,3-Bis(ethylthio)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((3,3-Bis(ethylthio)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine",NA,"CCSC1(CCN(C1)C=NC(C)(C)C)SCC","PUBWCXZGLRRLSD-UHFFFAOYSA-N",370807,NA,"PDBC40545","644329","Present",NA,NA
+"40546","N-((3-(2-Bromo-1-methoxyethyl)-1-(phenylsulfonyl)-1H-indol-2-yl)(3,4-dimethoxyphenyl)methyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[1-(Benzenesulfonyl)-3-(2-bromo-1-methoxyethyl)indol-2-yl]-(3,4-dimethoxyphenyl)methyl]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC(=C(C=C2)OC)OC)C3=C(C4=CC=CC=C4N3S(=O)(=O)C5=CC=CC=C5)C(CBr)OC","RUKPFISHIWBLSI-UHFFFAOYSA-N",386336,NA,"PDBC40546","678118","Present",NA,NA
+"40547","N-((3-Amino-2-phenyl-6-quinoxalinyl)methyl)-N-(2-propynyl)-N-(3,4,5-trimethoxyphenyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((3-Amino-2-phenyl-6-quinoxalinyl)methyl)-N-(2-propynyl)-N-(3,4,5-trimethoxyphenyl)amine",NA,"COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=C(C(=N3)N)C4=CC=CC=C4","WHVVHMOMXBKAGA-UHFFFAOYSA-N",376136,NA,"PDBC40547","656629","Present",NA,NA
+"40548","N-((3-Benzoyl-2-thioxo-1-imidazolidinyl)carbothioyl)-N-phenylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((3-Benzoyl-2-thioxo-1-imidazolidinyl)carbothioyl)-N-phenylbenzamide",NA,"C1CN(C(=S)N1C(=O)C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CC=C4","WZBTWOFKZNYBSD-UHFFFAOYSA-N",396960,NA,"PDBC40548","704180","Present",NA,NA
+"40549","N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-3,4,5-trimethoxy-N-(2-propynyl)aniline",NA,"COC1=CC(=CC(=C1OC)OC)N(CC#C)CC2=CC3=C(C=C2)N=C(C(=N3)Cl)C4=CC=CC=C4","ZIXOURDPCCCQII-UHFFFAOYSA-N",373187,NA,"PDBC40549","649151","Present",NA,NA
+"40550","N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-4-fluoro-N-(2-propynyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((3-Chloro-2-phenyl-6-quinoxalinyl)methyl)-4-fluoro-N-(2-propynyl)aniline",NA,"C#CCN(CC1=CC2=C(C=C1)N=C(C(=N2)Cl)C3=CC=CC=C3)C4=CC=C(C=C4)F","UROGRUMXMWCOJF-UHFFFAOYSA-N",392818,NA,"PDBC40550","693774","Present",NA,NA
+"40551","N-((3-Methyl-1,2,4-oxadiazol-5-yl)methoxy)ethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((3-Methyl-1,2,4-oxadiazol-5-yl)methoxy)ethanimidamide",NA,"CC1=NOC(=N1)CON=C(C)N","FUBRAMFBZGPINB-UHFFFAOYSA-N",6421772,NA,"PDBC40551","660227","Present",NA,NA
+"40552","N-((4,4-Bis(ethylthio)-2-(4-methoxybenzyl)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((4,4-Bis(ethylthio)-2-(4-methoxybenzyl)-1-pyrrolidinyl)methylene)-N-(tert-butyl)amine",NA,"CCSC1(CC(N(C1)C=NC(C)(C)C)CC2=CC=C(C=C2)OC)SCC","CYUAVZNVMAHTLK-UHFFFAOYSA-N",370806,NA,"PDBC40552","644328","Present",NA,NA
+"40553","N-((4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl)benzenecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl)benzenecarbothioamide",NA,"CC1(CC(=C(C(=O)C1)C=NC(=S)C2=CC=CC=C2)O)C","FOVDIPMQJHZVQJ-UHFFFAOYSA-N",135409052,NA,"PDBC40553","657421","Present",NA,NA
+"40554","N-((4,4-Dimethyl-2,6-dioxocyclohexylidene)methyl)isonicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QJASBSPZZXRURZ-UHFFFAOYSA-N",NA,"CC1(CC(=C(C(=O)C1)C=NC(=O)C2=CC=NC=C2)O)C","RGABVUVXNMJEHW-UHFFFAOYSA-N",135409055,NA,"PDBC40554","657439","Present",NA,NA
+"40555","N-((4-((10-(4-((Acetyl(2-phenylethyl)amino)(cyano)methyl)phenoxy)decyl)oxy)phenyl)(cyano)methyl)-N-(2-phenylethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[4-[10-[4-[[Acetyl(2-phenylethyl)amino]-cyanomethyl]phenoxy]decoxy]phenyl]-cyanomethyl]-N-(2-phenylethyl)acetamide",NA,"CC(=O)N(CCC1=CC=CC=C1)C(C#N)C2=CC=C(C=C2)OCCCCCCCCCCOC3=CC=C(C=C3)C(C#N)N(CCC4=CC=CC=C4)C(=O)C","BZIDIVKNMHYWSO-UHFFFAOYSA-N",387721,NA,"PDBC40555","681750","Present",NA,NA
+"40556","N-((4-((Benzoyl(propyl)amino)(cyano)methyl)phenyl)(cyano)methyl)-N-propylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((4-((Benzoyl(propyl)amino)(cyano)methyl)phenyl)(cyano)methyl)-N-propylbenzamide",NA,"CCCN(C(C#N)C1=CC=C(C=C1)C(C#N)N(CCC)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","OFOKBZWIWDQVOD-UHFFFAOYSA-N",387720,NA,"PDBC40556","681749","Present",NA,NA
+"40557","N-((4-((Dimethylamino)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)-N,N-dimethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((4-((Dimethylamino)methyl)-2,5-dimethyl-1H-pyrrol-3-yl)methyl)-N,N-dimethylamine",NA,"CC1=C(C(=C(N1)C)CN(C)C)CN(C)C","IWCTUQVJGXUFIL-UHFFFAOYSA-N",229022,NA,"PDBC40557","22368","Present",NA,NA
+"40558","N-((4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)glutamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((4-(4-Hydroxy-2,6-dimethyl-5-pyrimidinyl)-1-piperazinyl)carbonyl)glutamic acid",NA,"CC1=C(C(=O)NC(=N1)C)N2CCN(CC2)C(=O)NC(CCC(=O)O)C(=O)O","IRWDTEWCJYOAMI-UHFFFAOYSA-N",135444429,NA,"PDBC40558","673107","Present",NA,NA
+"40559","N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-1-naphthamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-1-naphthamide",NA,"CC1=CC(=O)NC(=N1)CNC(=O)C2=CC=CC3=CC=CC=C32","MHIUKPRWJLHSHG-UHFFFAOYSA-N",135503467,NA,"PDBC40559","636376","Present",NA,NA
+"40560","N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-2-naphthamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-2-naphthamide",NA,"CC1=CC(=O)NC(=N1)CNC(=O)C2=CC3=CC=CC=C3C=C2","VUMOBSVPXYVXKX-UHFFFAOYSA-N",135494920,NA,"PDBC40560","636372","Present",NA,NA
+"40561","N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-2-phenylacetamide",NA,"CC1=CC(=O)NC(=N1)CNC(=O)CC2=CC=CC=C2","GUAGSEUSAJWBEB-UHFFFAOYSA-N",135503465,NA,"PDBC40561","636339","Present",NA,NA
+"40562","N-((4-Methyl-1-piperazinyl)carbothioyl)-N-phenyl-2-thiophenecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((4-Methyl-1-piperazinyl)carbothioyl)-N-phenyl-2-thiophenecarboxamide",NA,"CN1CCN(CC1)C(=S)N(C2=CC=CC=C2)C(=O)C3=CC=CS3","HMGGNKKCJIPZTP-UHFFFAOYSA-N",376050,NA,"PDBC40562","656449","Present",NA,NA
+"40563","N-((4-Methyl-3-oxo-2-morpholinyl)(phenyl)methyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((4-Methyl-3-oxo-2-morpholinyl)(phenyl)methyl)benzamide",NA,"CN1CCOC(C1=O)C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3","UFQBZUONJLRUPX-UHFFFAOYSA-N",374242,NA,"PDBC40563","651740","Present",NA,NA
+"40564","N-((5-Amino-4-cyano-1,3-oxazol-2-yl)methyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((5-Amino-4-cyano-1,3-oxazol-2-yl)methyl)acetamide",NA,"CC(=O)NCC1=NC(=C(O1)N)C#N","HNZHOONMJKYQQB-UHFFFAOYSA-N",389347,NA,"PDBC40564","685300","Present",NA,NA
+"40565","N-((6-(Aminomethyl)-6-(4-morpholinyl)bicyclo[3.1.0]hex-1-yl)methyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((6-(Aminomethyl)-6-(4-morpholinyl)bicyclo[3.1.0]hex-1-yl)methyl)aniline",NA,"C1CC2C(C1)(C2(CN)N3CCOCC3)CNC4=CC=CC=C4","BXXYPDNFTDDLKA-UHFFFAOYSA-N",365585,NA,"PDBC40565","633384","Present",NA,NA
+"40566","N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-octadecylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-octadecylthiourea",NA,"CCCCCCCCCCCCCCCCCCNC(=S)N=CC1=C(C=C(OC1=O)C)O","HAXRIUKKDXWGLU-SGWCAAJKSA-N",135409093,NA,"PDBC40566","657710","Present",NA,NA
+"40567","N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)-N'-phenylthiourea",NA,"CC1=CC(=C(C(=O)O1)C=NC(=S)NC2=CC=CC=C2)O","WWKSOQLEJQRSQH-OVCLIPMQSA-N",135409081,NA,"PDBC40567","657599","Present",NA,NA
+"40568","N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)benzenecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)benzenecarbothioamide",NA,"CC1=CC(=C(C(=O)O1)C=NC(=S)C2=CC=CC=C2)O","IGKHSFVFZNWTIG-UHFFFAOYSA-N",135409091,NA,"PDBC40568","657706","Present",NA,NA
+"40569","N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)ethanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl)ethanethioamide",NA,"CC1=CC(=C(C(=O)O1)C=NC(=S)C)O","ZHQDXMWFCREZQB-UHFFFAOYSA-N",135409084,NA,"PDBC40569","657606","Present",NA,NA
+"40570","N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((7-Hydroxy-2-oxo-2H-chromen-8-yl)methyl)alanine",NA,"CC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2)O","MUJGCPFWXPVGGO-UHFFFAOYSA-N",5466064,NA,"PDBC40570","673342","Present",NA,NA
+"40571","N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)alanine",NA,"CC(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O","AWEFXECHEHYAIJ-UHFFFAOYSA-N",5466061,NA,"PDBC40571","673339","Present",NA,NA
+"40572","N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((7-Hydroxy-2-oxo-4-phenyl-2H-chromen-8-yl)methyl)valine",NA,"CC(C)C(C(=O)O)NCC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O","YOCIUTZYUSFEOO-UHFFFAOYSA-N",5466060,NA,"PDBC40572","673338","Present",NA,NA
+"40573","N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)alanine",NA,"CC1=CC(=O)OC2=C1C=CC(=C2CNC(C)C(=O)O)O","PHJZJPUBGIRGCQ-UHFFFAOYSA-N",5466055,NA,"PDBC40573","673333","Present",NA,NA
+"40574","N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)phenylalanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)phenylalanine",NA,"CC1=CC(=O)OC2=C1C=CC(=C2CNC(CC3=CC=CC=C3)C(=O)O)O","MRUNGDSDRLASQM-UHFFFAOYSA-N",5466056,NA,"PDBC40574","673334","Present",NA,NA
+"40575","N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)serine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)serine",NA,"CC1=CC(=O)OC2=C1C=CC(=C2CNC(CO)C(=O)O)O","IYOFCNNMOBCILN-UHFFFAOYSA-N",5466057,NA,"PDBC40575","673335","Present",NA,NA
+"40576","N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)threonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((7-Hydroxy-4-methyl-2-oxo-2H-chromen-8-yl)methyl)threonine",NA,"CC1=CC(=O)OC2=C1C=CC(=C2CNC(C(C)O)C(=O)O)O","KQDROOGGISNURM-UHFFFAOYSA-N",5466058,NA,"PDBC40576","673336","Present",NA,NA
+"40577","N-((9-Benzyl-1-methyl-9H-carbazol-3-yl)methyl)-4-methyl-N-(2-oxopropyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((9-Benzyl-1-methyl-9H-carbazol-3-yl)methyl)-4-methyl-N-(2-oxopropyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC3=C(C(=C2)C)N(C4=CC=CC=C43)CC5=CC=CC=C5)CC(=O)C","VRSDBYQTAKMXJO-UHFFFAOYSA-N",372623,NA,"PDBC40577","648062","Present",NA,NA
+"40578","N-((9H-Fluoren-9-ylmethoxy)carbonyl)-S-(2,4,6-trimethoxybenzyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((9H-Fluoren-9-ylmethoxy)carbonyl)-S-(2,4,6-trimethoxybenzyl)cysteine",NA,"COC1=CC(=C(C(=C1)OC)CSCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)OC","RBRGDLFVCBTWNU-UHFFFAOYSA-N",379091,NA,"PDBC40578","663304","Present",NA,NA
+"40579","N-((Diphenylphosphoryl)(phenyl)methyl)-4-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((Diphenylphosphoryl)(phenyl)methyl)-4-methylaniline",NA,"CC1=CC=C(C=C1)NC(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","PPVZOFNPKLWGOX-UHFFFAOYSA-N",385503,NA,"PDBC40579","676752","Present",NA,NA
+"40580","N-((Pentanoylamino)(trichloromethyl)-lambda~4~-sulfanylidene)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((Pentanoylamino)(trichloromethyl)-lambda~4~-sulfanylidene)benzamide",NA,"CCCCC(=O)NS(=NC(=O)C1=CC=CC=C1)C(Cl)(Cl)Cl","OYXPZEUTSDLDBK-UHFFFAOYSA-N",376815,NA,"PDBC40580","657932","Present",NA,NA
+"40581","N-((Z)-2-(1,3-Benzodioxol-5-yl)-1-{[2-(5-chloro-6-hydroxypyridazin-4-yl)hydrazino]carbonyl}vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-(1,3-Benzodioxol-5-yl)-3-[2-(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide",NA,"C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NNC3=C(C(=O)NN=C3)Cl)NC(=O)C4=CC=CC=C4","MCGFWYLCGWFIJW-ZSOIEALJSA-N",5775037,NA,"PDBC40581","657726","Present",NA,NA
+"40582","N-(.gamma.,.gamma.-Dimethylallyl)adenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(.gamma.,.gamma.-Dimethylallyl)adenine",NA,"CC(=CCNC1=NC=NC2=C1NC=N2)C","HYVABZIGRDEKCD-UHFFFAOYSA-N",92180,NA,"PDBC40582","106958","Present",NA,NA
+"40583","N-(1',3,5(10)-Triene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1',2'-Dithiolanyl-3'-pentanonyl)-17-aminomethyl-3-met...",NA,"CC12CCC3C(C1CCC2(CNC(=O)CCCCC4CCSS4)O)CCC5=C3C=CC(=C5)OC","ZKPBHABTXYVMJA-UHFFFAOYSA-N",24205539,NA,"PDBC40583","736123","Present",NA,NA
+"40584","N-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2,2-Trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(C(F)(F)F)(C(F)(F)F)O","DCVSNNYCVJWFPO-UHFFFAOYSA-N",389149,NA,"PDBC40584","684833","Present",NA,NA
+"40585","N-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-Tetradecahydroacridin-9-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-Tetradecahydroacridin-9-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=S)NC(=O)N1)C(=O)NC2C3CCCCC3NC4C2CCCC4","ABTZKNNKLUKWHH-UHFFFAOYSA-N",3699385,NA,"PDBC40585","671853","Present",NA,NA
+"40586","N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)benzamide",NA,"CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC=CC=C4","PIDLHEGBDOTGSP-UHFFFAOYSA-N",369939,NA,"PDBC40586","642306","Present",NA,NA
+"40587","N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexanamide",NA,"CCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O","DUAFXJAIKLLICE-UHFFFAOYSA-N",369945,NA,"PDBC40587","642312","Present",NA,NA
+"40588","N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)hexadecanamide",NA,"CCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","JHJCKKDPFRGDQP-UHFFFAOYSA-N",369950,NA,"PDBC40588","642317","Present",NA,NA
+"40589","N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)tricosanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,2,3-Trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)tricosanamide",NA,"CCCCCCCCCCCCCCCCCCCCCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","HMKHTSVGLSHMHH-UHFFFAOYSA-N",369953,NA,"PDBC40589","642320","Present",NA,NA
+"40590","N-(1,2-Diphenylethyl)-3-pyridinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alpha-Phenyl-N-(3-pyridyl)-phenethylamine",NA,"C1=CC=C(C=C1)CC(C2=CC=CC=C2)NC3=CN=CC=C3","QAZHGSWEDVPGNN-UHFFFAOYSA-N",340020,NA,"PDBC40590","369294","Present",NA,NA
+"40591","N-(1,3,7-Tribromo-9H-fluoren-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3,7-Tribromo-9H-fluoren-2-yl)acetamide",NA,"CC(=O)NC1=C(C=C2C(=C1Br)CC3=C2C=CC(=C3)Br)Br","IRQURCHUNXLBRB-UHFFFAOYSA-N",267219,NA,"PDBC40591","106360","Present",NA,NA
+"40592","N-(1,3-Benzodioxol-5-yl)-3-chlorofuro[2,3-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Benzodioxol-5-yl)-3-chlorofuro[2,3-b]quinolin-4-amine",NA,"C1OC2=C(O1)C=C(C=C2)NC3=C4C(=COC4=NC5=CC=CC=C53)Cl","KTJMHRPUCZGHRH-UHFFFAOYSA-N",11595255,NA,"PDBC40592","727803","Present",NA,NA
+"40593","N-(1,3-Benzodioxol-5-yl)furo[2,3-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Benzodioxol-5-yl)furo[2,3-b]quinolin-4-amine",NA,"C1OC2=C(O1)C=C(C=C2)NC3=C4C=COC4=NC5=CC=CC=C53","PNJWGZDYECNMMK-UHFFFAOYSA-N",11659481,NA,"PDBC40593","727805","Present",NA,NA
+"40594","N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Benzodioxol-5-ylmethyl)-2-(4-phenylmethoxyphenyl)acetamide",NA,"C1OC2=C(O1)C=C(C=C2)CNC(=O)CC3=CC=C(C=C3)OCC4=CC=CC=C4","QIKBFMMXWUXFME-UHFFFAOYSA-N",356825,NA,"PDBC40594","614314","Present",NA,NA
+"40595","N-(1,3-Benzodioxol-5-ylmethylene)-3,4-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-PIPERONYLIDENE-3,4-XYLIDINE",NA,"CC1=C(C=C(C=C1)N=CC2=CC3=C(C=C2)OCO3)C","VDGKCGWQXUPNSS-UHFFFAOYSA-N",361086,NA,"PDBC40595","623891","Present",NA,NA
+"40596","N-(1,3-Benzothiazol-2-yl)-2-[3-(4-fluorophenyl)-6-oxo-4,5-dihydropyridazin-1-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzo[d]thiazol-2-yl)-2-(3-(4-fluorophenyl)-6-oxo-5,6...",NA,"C1CC(=O)N(N=C1C2=CC=C(C=C2)F)CC(=O)NC3=NC4=CC=CC=C4S3","FWKCAZLDTPBHLK-UHFFFAOYSA-N",155815055,NA,"PDBC40596","795935","Present",NA,NA
+"40597","N-(1,3-Benzothiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Benzothiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide",NA,"COC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC=C3)OCC(=O)NC4=NC5=CC=CC=C5S4)O2","RKGGPBYPVBTFKN-MTJSOVHGSA-N",45028678,NA,"PDBC40597","743690","Present",NA,NA
+"40598","N-(1,3-Benzothiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(benzo[d]thiazol-2-yl)-2-phenyl-7-(3,4,5-trimethoxyphe...",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=NC3=CC(=NN23)C4=CC=CC=C4)C(=O)NC5=NC6=CC=CC=C6S5","ZUGJZIHKHLLDGE-UHFFFAOYSA-N",71624130,NA,"PDBC40598","763635","Present",NA,NA
+"40599","N-(1,3-Benzothiazol-2-yl)-7-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(benzo[d]thiazol-2-yl)-7-(4-fluorophenyl)-2-phenylpyra...",NA,"C1=CC=C(C=C1)C2=NN3C(=CC(=NC3=C2)C(=O)NC4=NC5=CC=CC=C5S4)C6=CC=C(C=C6)F","OUUZYPPEPPBCND-UHFFFAOYSA-N",71625913,NA,"PDBC40599","763669","Present",NA,NA
+"40600","N-(1,3-Benzothiazol-2-ylsulfanylmethyl)-N-cyclohexylcyclohexanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((benzo[d]thiazol-2-ylthio)methyl)-N-cyclohexylcyclohe...",NA,"C1CCC(CC1)N(CSC2=NC3=CC=CC=C3S2)C4CCCCC4","WSADMJNRWCWRJT-UHFFFAOYSA-N",234404,NA,"PDBC40600","34240","Present",NA,NA
+"40601","N-(1,3-Benzoxazol-2-yl)-N-(4-methyl-6-phenyl-2-pyrimidinyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Benzoxazol-2-yl)-N-(4-methyl-6-phenyl-2-pyrimidinyl)amine",NA,"CC1=CC(=NC(=N1)NC2=NC3=CC=CC=C3O2)C4=CC=CC=C4","NLQVIHPUACLICU-UHFFFAOYSA-N",369579,NA,"PDBC40601","641448","Present",NA,NA
+"40602","N-(1,3-Dibromo-5-hydroxy-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Dibromo-5-hydroxy-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)-2,2,2-trifluoroacetamide",NA,"C1(C(C(=O)C2=C(SC(=C21)Br)Br)O)NC(=O)C(F)(F)F","NTDRHDWPJJMJNF-UHFFFAOYSA-N",378809,NA,"PDBC40602","662127","Present",NA,NA
+"40603","N-(1,3-Dichloro-7-nitro-9H-fluoren-2-yl)formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Dichloro-7-nitro-9H-fluoren-2-yl)formamide",NA,"C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=CC(=C(C(=C31)Cl)NC=O)Cl","GJFZJSMAFTXMPI-UHFFFAOYSA-N",259241,NA,"PDBC40603","88971","Present",NA,NA
+"40604","N-(1,3-Dicyclohexyl-4-(cyclohexylimino)-1,3-diazetidin-2-ylidene)cyclohexanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Dicyclohexyl-4-(cyclohexylimino)-1,3-diazetidin-2-ylidene)cyclohexanamine",NA,"C1CCC(CC1)N=C2N(C(=NC3CCCCC3)N2C4CCCCC4)C5CCCCC5","LRPQGJDBBJVAQC-UHFFFAOYSA-N",373977,NA,"PDBC40604","651009","Present",NA,NA
+"40605","N-(1,3-Dihydro-1-methyl-3-(phenylsulfonyl)-2H-benzimidazol-2-ylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Dihydro-1-methyl-3-(phenylsulfonyl)-2H-benzimidazol-2-ylidene)benzenesulfonamide",NA,"CN1C2=CC=CC=C2N(C1=NS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","ZRXATGJHZBPJSG-QZQOTICOSA-N",9554122,NA,"PDBC40605","690404","Present",NA,NA
+"40606","N-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylmethylene)-1-methoxy-2-methyl-2-propanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylmethylene)-1-methoxy-2-methyl-2-propanamine",NA,"CC(C)(COC)N=CN1CC2=CC3=CC=CC=C3N=C2C1","JYKILSRSBGVXKE-UHFFFAOYSA-N",370796,NA,"PDBC40606","644318","Present",NA,NA
+"40607","N-(1,3-Dihydroxy-2-methylpropan-2-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Dihydroxy-2-methylpropan-2-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=S)NC(=O)N1)C(=O)NC(C)(CO)CO","BGKHHYHCKKFBCR-UHFFFAOYSA-N",1825832,NA,"PDBC40607","666978","Present",NA,NA
+"40608","N-(1,3-Dioxoisoindol-2-yl)-2-[2-[(1,3-dioxoisoindol-2-yl)carbamoyl]anilino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Dioxoisoindol-2-yl)-2-[2-[(1,3-dioxoisoindol-2-yl)carbamoyl]anilino]benzamide",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)NC(=O)C3=CC=CC=C3NC4=CC=CC=C4C(=O)NN5C(=O)C6=CC=CC=C6C5=O","LDPATRVCROBMIJ-UHFFFAOYSA-N",394752,NA,"PDBC40608","698455","Present",NA,NA
+"40609","N-(1,3-e]-1,2,4-Thiadiazin-3-yl)-l-trytophan methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,1-Dioxo-2-phenyl-2H-pyrido[4,3-e]-1,2,4-thiadiazin-...",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)N=C3NC4=C(C=NC=C4)S(=O)(=O)N3C5=CC=CC=C5","WEEOAGACJZAGOW-UHFFFAOYSA-N",135426718,NA,"PDBC40609","710903","Present",NA,NA
+"40610","N-(1,5-Dihydrazinyl-1,5-dioxopentan-2-yl)-4-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,5-Dihydrazinyl-1,5-dioxopentan-2-yl)-4-methoxybenzenesulfonamide",NA,"COC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NN)C(=O)NN","HAGNCKFABHRCKU-UHFFFAOYSA-N",393740,NA,"PDBC40610","696265","Present",NA,NA
+"40611","N-(1,6-Dihydro-4H-cyclopenta[c]thien-4-yl)-4-(1H-indol-3-yl)-butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Dibromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4...",NA,"C1C(C2=C(SC(=C2C1=O)Br)Br)NC(=O)CCCC3=CNC4=CC=CC=C43","LUPIQGLOJCOYND-UHFFFAOYSA-N",24205884,NA,"PDBC40611","737073","Present",NA,NA
+"40612","N-(1-(((3,4-Dichloroanilino)carbonyl)amino)-2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)-2-methylpropanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z)-N-[2-[(3,4-Dichlorophenyl)carbamoylamino]-1,1,1,3,3,3-hexafluoropropan-2-yl]oxy-2-methylpropanimidoyl chloride",NA,"CC(C)C(=NOC(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=CC(=C(C=C1)Cl)Cl)Cl","QGYVDWPILQOUST-KALUYTGESA-N",9556182,NA,"PDBC40612","671971","Present",NA,NA
+"40613","N-(1-(((3,5-Bis(((2-((2,3-dihydroxybenzoyl)amino)-4-methylpentanoyl)amino)methyl)benzyl)amino)carbonyl)-3-methylbutyl)-2,3-dihydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-[[3,5-Bis[[[2-[(2,3-dihydroxybenzoyl)amino]-4-methylpentanoyl]amino]methyl]phenyl]methylamino]-4-methyl-1-oxopentan-2-yl]-2,3-dihydroxybenzamide",NA,"CC(C)CC(C(=O)NCC1=CC(=CC(=C1)CNC(=O)C(CC(C)C)NC(=O)C2=C(C(=CC=C2)O)O)CNC(=O)C(CC(C)C)NC(=O)C3=C(C(=CC=C3)O)O)NC(=O)C4=C(C(=CC=C4)O)O","WAGPHVJDKFPWTF-UHFFFAOYSA-N",361469,NA,"PDBC40613","624497","Present",NA,NA
+"40614","N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-(2-hydroxyphenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-(2-hydroxyphenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C(=O)NC3=CC=CC=C3C(=O)NN","LIJLCTNPTCDAMU-RGEXLXHISA-N",6477544,NA,"PDBC40614","686420","Present",NA,NA
+"40615","N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-phenylvinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-((2-(Hydrazinocarbonyl)anilino)carbonyl)-2-phenylvinyl)benzamide",NA,"C1=CC=C(C=C1)C=C(C(=O)NC2=CC=CC=C2C(=O)NN)NC(=O)C3=CC=CC=C3","AHWQESFAFKESIR-HKWRFOASSA-N",5917746,NA,"PDBC40615","686419","Present",NA,NA
+"40616","N-(1-((3-Ethyl-3-oxetanyl)methoxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-((3-Ethyl-3-oxetanyl)methoxy)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide",NA,"CCC(=O)NC(C(F)(F)F)(C(F)(F)F)OCC1(COC1)CC","SUGCEXIULFFAEY-UHFFFAOYSA-N",383579,NA,"PDBC40616","671997","Present",NA,NA
+"40617","N-(1-((Allyloxy)methyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-((Allyloxy)methyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide",NA,"C=CCOCN1C=CC(=NC1=O)NC(=O)C2=CC=CC=C2","KPFIMWWLQUXENC-UHFFFAOYSA-N",376602,NA,"PDBC40617","657613","Present",NA,NA
+"40618","N-(1-((Dibenzylamino)carbonyl)-2-hydroxypropyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-((Dibenzylamino)carbonyl)-2-hydroxypropyl)benzamide",NA,"CC(C(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3)O","NTRFDQZXPIFWID-UHFFFAOYSA-N",362247,NA,"PDBC40618","625851","Present",NA,NA
+"40619","N-(1-(1,3-Benzothiazol-2-YL)-2-(2,4-dichlorophenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1,3-Benzothiazol-2-YL)-2-(2,4-dichlorophenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3","RGEMVGXMGBLKBI-XDHOZWIPSA-N",5386906,NA,"PDBC40619","618621","Present",NA,NA
+"40620","N-(1-(1,3-Benzothiazol-2-yl)-2-(4-(2-(1,3-benzothiazol-2-yl)-2-(benzoylamino)vinyl)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-2-[4-[(Z)-2-Benzamido-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-1-(1,3-benzothiazol-2-yl)ethenyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=CC=CC=C4S3)NC(=O)C5=CC=CC=C5)C6=NC7=CC=CC=C7S6","OZMRFBNVVNGYGK-PUHRYQSPSA-N",5388019,NA,"PDBC40620","630889","Present",NA,NA
+"40621","N-(1-(1,3-Benzothiazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1,3-Benzothiazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4S3","GLJXGCZOWVQSRB-RGEXLXHISA-N",5387541,NA,"PDBC40621","624447","Present",NA,NA
+"40622","N-(1-(1H-Benzimidazol-2-yl)-2-(1,3-benzodioxol-5-yl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(1,3-benzodioxol-5-yl)vinyl)benzamide",NA,"C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=CC=CC=C4N3)NC(=O)C5=CC=CC=C5","HVXKWYMQSIPYSG-UNOMPAQXSA-N",5388014,NA,"PDBC40622","630883","Present",NA,NA
+"40623","N-(1-(1H-Benzimidazol-2-yl)-2-(2,5-dichlorophenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(2,5-dichlorophenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=CC(=C2)Cl)Cl)C3=NC4=CC=CC=C4N3","JKNKWFNUDPQNQO-MOSHPQCFSA-N",5387522,NA,"PDBC40623","624425","Present",NA,NA
+"40624","N-(1-(1H-Benzimidazol-2-yl)-2-(2-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(2-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2[N+](=O)[O-])C3=NC4=CC=CC=C4N3","UKWPZVCJZGIJFG-RGEXLXHISA-N",5387538,NA,"PDBC40624","624443","Present",NA,NA
+"40625","N-(1-(1H-Benzimidazol-2-yl)-2-(2-hydroxy-1-naphthyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(2-hydroxy-1-naphthyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=CC3=CC=CC=C32)O)C4=NC5=CC=CC=C5N4","PQEATNHQSSUURU-KQWNVCNZSA-N",135429953,NA,"PDBC40625","624445","Present",NA,NA
+"40626","N-(1-(1H-Benzimidazol-2-yl)-2-(2-hydroxyphenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(2-hydroxyphenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C3=NC4=CC=CC=C4N3","YWGFYARYDDAFHD-RGEXLXHISA-N",135429952,NA,"PDBC40626","624444","Present",NA,NA
+"40627","N-(1-(1H-Benzimidazol-2-yl)-2-(2-methoxyphenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(2-methoxyphenyl)vinyl)benzamide",NA,"COC1=CC=CC=C1C=C(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4","BWMXBPDFIMVACS-HKWRFOASSA-N",5387546,NA,"PDBC40627","624452","Present",NA,NA
+"40628","N-(1-(1H-Benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(3,4-dimethoxyphenyl)vinyl)benzamide",NA,"COC1=C(C=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4)OC","NLKKHCJNRCVFBB-ZHZULCJRSA-N",5387470,NA,"PDBC40628","623907","Present",NA,NA
+"40629","N-(1-(1H-Benzimidazol-2-yl)-2-(4-(3,4-dichlorophenoxy)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(4-(3,4-dichlorophenoxy)phenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)OC3=CC(=C(C=C3)Cl)Cl)C4=NC5=CC=CC=C5N4","LHYLLSRHTQPHFX-QQXSKIMKSA-N",5387533,NA,"PDBC40629","624437","Present",NA,NA
+"40630","N-(1-(1H-Benzimidazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3","RUMHRQWAARUWMQ-ZHZULCJRSA-N",5388016,NA,"PDBC40630","630885","Present",NA,NA
+"40631","N-(1-(1H-Benzimidazol-2-yl)-2-(4-bromophenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(4-bromophenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4N3","YBFRETBEHFICDR-ZHZULCJRSA-N",5387537,NA,"PDBC40631","624442","Present",NA,NA
+"40632","N-(1-(1H-Benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(4-chlorophenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4N3","RVOAULNPGMOTQQ-ZHZULCJRSA-N",5387549,NA,"PDBC40632","624455","Present",NA,NA
+"40633","N-(1-(1H-Benzimidazol-2-yl)-2-(4-fluorophenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(4-fluorophenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)F)C3=NC4=CC=CC=C4N3","ZGMYHLLZBIZPES-ZHZULCJRSA-N",5387550,NA,"PDBC40633","624456","Present",NA,NA
+"40634","N-(1-(1H-Benzimidazol-2-yl)-2-(4-isopropylphenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(4-isopropylphenyl)vinyl)benzamide",NA,"CC(C)C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4","CBILBBPCEMGOCS-KQWNVCNZSA-N",5387545,NA,"PDBC40634","624451","Present",NA,NA
+"40635","N-(1-(1H-Benzimidazol-2-yl)-2-(4-methylphenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Benzimidazol-2-yl)-2-(4-methylphenyl)vinyl)benzamide",NA,"CC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4","JBXRJXORKDOBEU-QNGOZBTKSA-N",5388012,NA,"PDBC40635","630881","Present",NA,NA
+"40636","N-(1-(1H-Imidazol-4-ylmethyl)-2-oxo-2-(1-pyrrolidinyl)ethyl)cyclopentanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1H-Imidazol-4-ylmethyl)-2-oxo-2-(1-pyrrolidinyl)ethyl)cyclopentanecarboxamide",NA,"C1CCC(C1)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3","BFXBKZKSACANKU-UHFFFAOYSA-N",381835,NA,"PDBC40636","668908","Present",NA,NA
+"40637","N-(1-(2-(Aminocarbothioyl)carbohydrazonoyl)-4-isoquinolinyl)-N-ethylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(N-acetyl-N-ethylamino)isoquinoline-1-carboxaldehyde t...",NA,"CCN(C1=CN=C(C2=CC=CC=C21)C=NNC(=S)N)C(=O)C","WUJQBTMYHQXKTJ-QGMBQPNBSA-N",9571612,NA,"PDBC40637","687305","Present",NA,NA
+"40638","N-(1-(2-(Dimethylamino)ethyl)-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(2-(Dimethylamino)ethyl)-4,5-dimethyl-3-(phenylsulfonyl)-1H-pyrrol-2-yl)acetamide",NA,"CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C)CCN(C)C)C","KUTCXHDLZMOLIT-UHFFFAOYSA-N",393680,NA,"PDBC40638","696056","Present",NA,NA
+"40639","N-(1-(2-Hydroxyethyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(2-Hydroxyethyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CCO","LEWNNNUHFLWVBM-UHFFFAOYSA-N",367642,NA,"PDBC40639","637520","Present",NA,NA
+"40640","N-(1-(3,4-Dimethoxybenzoyl)propyl)-2,2,2-trifluoro-N-(1-phenylethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(3,4-Dimethoxybenzoyl)propyl)-2,2,2-trifluoro-N-(1-phenylethyl)acetamide",NA,"CCC(C(=O)C1=CC(=C(C=C1)OC)OC)N(C(C)C2=CC=CC=C2)C(=O)C(F)(F)F","QUNKMUPMBINORL-UHFFFAOYSA-N",382192,NA,"PDBC40640","669651","Present",NA,NA
+"40641","N-(1-(3-(2,4-Bis(hydroxy(oxido)amino)anilino)-4-oxo-3,4-dihydro-2-quinazolinyl)-2-(4-chlorophenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2-(4-Chlorophenyl)-1-[3-(2,4-dinitroanilino)-4-oxoquinazolin-2-yl]ethenyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4C(=O)N3NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","HXXUZVOFQNFAND-PCLIKHOPSA-N",5468423,NA,"PDBC40641","669994","Present",NA,NA
+"40642","N-(1-(3-Carbamoyl-4-cyclohexylmethoxy)phenyl)ethyl)-4-((N'-m ethyl-N'-4-chlorobutyl-O'-5-nitrofurfurylphosphonamido)diflu oromethyl)phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(3-carbamoyl-4-cyclohexylmethoxy)phenyl)ethyl)-4-((...",NA,"CC(C1=CC(=C(C=C1)OCC2CCCCC2)C(=O)N)NC(=O)CC3=CC=C(C=C3)C(F)(F)P(=O)(N(C)CCCCCl)OCC4=CC=C(O4)[N+](=O)[O-]","LBYGSHAYFKPDPI-UHFFFAOYSA-N",24205340,NA,"PDBC40642","735203","Present",NA,NA
+"40643","N-(1-(3-Thienyl)ethyl)-4,5-dihydro-1,3-oxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(3-Thienyl)ethyl)-4,5-dihydro-1,3-oxazol-2-amine",NA,"CC(C1=CSC=C1)NC2=NCCO2","JCKVHXXVMJOIIV-UHFFFAOYSA-N",379614,NA,"PDBC40643","664320","Present",NA,NA
+"40644","N-(1-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]anilino]-1,1,1,3,3,3-hexafluoropropan-2-yl]butanamide",NA,"CCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)C)C","HJTYGWVWKUELMH-UHFFFAOYSA-N",384764,NA,"PDBC40644","675200","Present",NA,NA
+"40645","N-(1-(4-(2-(1-Pyrrolidinyl)diazenyl)phenyl)ethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(4-(2-(1-Pyrrolidinyl)diazenyl)phenyl)ethyl)acetamide",NA,"CC(C1=CC=C(C=C1)N=NN2CCCC2)NC(=O)C","ZEJVOSLKTIHYOO-UHFFFAOYSA-N",389040,NA,"PDBC40645","684586","Present",NA,NA
+"40646","N-(1-(4-(Aminosulfonyl)anilino)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3,3-Trifluoro-N-[1,1,1,3,3,3-hexafluoro-2-(4-sulfamoylanilino)propan-2-yl]-2-(trifluoromethyl)propanamide",NA,"C1=CC(=CC=C1NC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F)S(=O)(=O)N","ZENVHWHAHYMLHK-UHFFFAOYSA-N",383668,NA,"PDBC40646","672086","Present",NA,NA
+"40647","N-(1-(5-(Acetylamino)-4-methyl-3-cyclohexen-1-yl)-1-methylethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(5-(Acetylamino)-4-methyl-3-cyclohexen-1-yl)-1-methylethyl)acetamide",NA,"CC1=CCC(CC1NC(=O)C)C(C)(C)NC(=O)C","SQPJPALCIMBDGG-UHFFFAOYSA-N",375998,NA,"PDBC40647","656378","Present",NA,NA
+"40648","N-(1-(5-(Hydroxy(oxido)amino)-1H-benzimidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(5-(Hydroxy(oxido)amino)-1H-benzimidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C(N3)C=C(C=C4)[N+](=O)[O-]","RKPSZHPBHMZRQY-NDENLUEZSA-N",5387526,NA,"PDBC40648","624430","Present",NA,NA
+"40649","N-(1-(5-(Hydroxyimino)-4-methyl-3-cyclohexen-1-yl)-1-methylethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(5-(Hydroxyimino)-4-methyl-3-cyclohexen-1-yl)-1-methylethyl)benzamide",NA,"CC1=CCC(CC1=NO)C(C)(C)NC(=O)C2=CC=CC=C2","MOJSZOCWUQBJQM-CYVLTUHYSA-N",5849055,NA,"PDBC40649","656383","Present",NA,NA
+"40650","N-(1-(5-Chloro-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)vinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(5-Chloro-1H-benzimidazol-2-yl)-2-(3-methoxyphenyl)vinyl)acetamide",NA,"CC(=O)NC(=CC1=CC(=CC=C1)OC)C2=NC3=C(N2)C=C(C=C3)Cl","FMGOXFCQTAUAHH-MFOYZWKCSA-N",5387511,NA,"PDBC40650","624413","Present",NA,NA
+"40651","N-(1-(5-Chloro-1H-benzimidazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(5-Chloro-1H-benzimidazol-2-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(N3)C=C(C=C4)Cl","BAIPJRVPJMGIOF-NDENLUEZSA-N",5387521,NA,"PDBC40651","624424","Present",NA,NA
+"40652","N-(1-(6,11-Dioxo-6,11-dihydro-1H-anthra[1,2-d]imidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-[1-(6,11-dihydro-6,11-dioxo-1H-anthra[1,2-d...",NA,"COC1=CC(=CC(=C1OC)OC)C=C(C2=NC3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)NC(=O)C6=CC=CC=C6","UTXKAEJVXOAKIN-IWIPYMOSSA-N",135429949,NA,"PDBC40652","624431","Present",NA,NA
+"40653","N-(1-(6,11-Dioxo-6,11-dihydro-3H-anthra[1,2-d]imidazol-2-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-(6,11-Dioxo-3H-naphtho[2,3-e]benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C(N3)C=CC5=C4C(=O)C6=CC=CC=C6C5=O","YFWKBDJRGLXKSU-JLPGSUDCSA-N",5387516,NA,"PDBC40653","624418","Present",NA,NA
+"40654","N-(1-(6-(Hydroxy(oxido)amino)-1H-benzimidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(6-(Hydroxy(oxido)amino)-1H-benzimidazol-2-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide",NA,"COC1=CC(=CC(=C1OC)OC)C=C(C2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])NC(=O)C4=CC=CC=C4","CEXWZNYRQWATKW-JAIQZWGSSA-N",5387534,NA,"PDBC40654","624438","Present",NA,NA
+"40655","N-(1-(6-Chloro-1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(6-Chloro-1H-benzimidazol-2-yl)-2-(2,5-dichlorophenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=CC(=C2)Cl)Cl)C3=NC4=C(N3)C=C(C=C4)Cl","LHWCSOURZKUQKJ-JAIQZWGSSA-N",5387471,NA,"PDBC40655","623908","Present",NA,NA
+"40656","N-(1-(6-Chloro-1H-benzimidazol-2-yl)-2-(2-methoxyphenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(6-Chloro-1H-benzimidazol-2-yl)-2-(2-methoxyphenyl)vinyl)benzamide",NA,"COC1=CC=CC=C1C=C(C2=NC3=C(N2)C=C(C=C3)Cl)NC(=O)C4=CC=CC=C4","JJEGKEGLGMYUDF-MOSHPQCFSA-N",5387544,NA,"PDBC40656","624450","Present",NA,NA
+"40657","N-(1-(6-Hydroxy-2-mercapto-7H-purin-8-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(6-Hydroxy-2-mercapto-7H-purin-8-yl)-2-(3-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C(N3)C(=O)NC(=S)N4","GGIBOCMTZLLFAY-UVTDQMKNSA-N",6477033,NA,"PDBC40657","623906","Present",NA,NA
+"40658","N-(1-(6-Hydroxy-2-mercapto-9H-purin-8-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(6-Hydroxy-2-mercapto-9H-purin-8-yl)-2-(4-(hydroxy(oxido)amino)phenyl)vinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C3=NC4=C(N3)C(=O)NC(=S)N4","JOHWGEPCKGADCM-UVTDQMKNSA-N",5387513,NA,"PDBC40658","624415","Present",NA,NA
+"40659","N-(1-(9H-Purin-8-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(9H-Purin-8-yl)-2-(3,4,5-trimethoxyphenyl)vinyl)benzamide",NA,"COC1=CC(=CC(=C1OC)OC)C=C(C2=NC3=NC=NC=C3N2)NC(=O)C4=CC=CC=C4","ONXPWLIOHMGVLU-SXGWCWSVSA-N",5387524,NA,"PDBC40659","624427","Present",NA,NA
+"40660","N-(1-(Dibenzylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Dibenzylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide",NA,"C1=CC=C(C=C1)CP(=O)(CC2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","PPMXIHQVVCPMFW-UHFFFAOYSA-N",382501,NA,"PDBC40660","670107","Present",NA,NA
+"40661","N-(1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide",NA,"C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","BTDQBMHUARPTSB-UHFFFAOYSA-N",382505,NA,"PDBC40661","670111","Present",NA,NA
+"40662","N-(1-(Phenylsulfonyl)-1H-benzimidazol-2-yl)-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(Phenylsulfonyl)-1H-benzimidazol-2-yl)-benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4","FSOPEDWBLVBRSG-UHFFFAOYSA-N",391370,NA,"PDBC40662","690405","Present",NA,NA
+"40663","N-(1-Adamantyl)-1-(2-nitrophenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-1-(2-nitrophenyl)methanimine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4[N+](=O)[O-]","NLCWOZBFKBLSKH-UHFFFAOYSA-N",364589,NA,"PDBC40663","631079","Present",NA,NA
+"40664","N-(1-Adamantyl)-1-(3-nitrophenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-1-(3-nitrophenyl)methanimine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)[N+](=O)[O-]","RWMVKKOPISOYEP-UHFFFAOYSA-N",364590,NA,"PDBC40664","631080","Present",NA,NA
+"40665","N-(1-Adamantyl)-1-(4-nitrophenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F1556-0077",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)[N+](=O)[O-]","AKPYBCMNDWXYSG-UHFFFAOYSA-N",364591,NA,"PDBC40665","631081","Present",NA,NA
+"40666","N-(1-Adamantyl)-2,4-dioxo-4-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-2,4-dioxo-4-phenylbutanamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)CC(=O)C4=CC=CC=C4","MOBFLLZDKCFCSW-UHFFFAOYSA-N",366974,NA,"PDBC40666","636136","Present",NA,NA
+"40667","N-(1-Adamantyl)-2-(1,3-benzothiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-2-(1,3-benzothiazol-2-yl)acetamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)CC4=NC5=CC=CC=C5S4","DFDFICVLJMEZAJ-UHFFFAOYSA-N",358480,NA,"PDBC40667","618488","Present",NA,NA
+"40668","N-(1-Adamantyl)-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-2-(5-bromo-1H-indol-3-yl)-2-oxoacetamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Br","VINBWTWPUKJDOA-UHFFFAOYSA-N",374148,NA,"PDBC40668","651605","Present",NA,NA
+"40669","N-(1-Adamantyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide",NA,"COC1=CC2=C(C=C1)NC=C2C(=O)C(=O)NC34CC5CC(C3)CC(C5)C4","NJSPNPARGYCXSG-UHFFFAOYSA-N",389766,NA,"PDBC40669","686362","Present",NA,NA
+"40670","N-(1-Adamantyl)-2-(cyanoamino)-5-methyl-6-propyl-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-2-(cyanoamino)-5-methyl-6-propyl-4-pyrimidinecarboxamide",NA,"CCCC1=C(C(=NC(=N1)NC#N)C(=O)NC23CC4CC(C2)CC(C4)C3)C","SVKWMZWEIMAQAB-UHFFFAOYSA-N",365045,NA,"PDBC40670","632003","Present",NA,NA
+"40671","N-(1-Adamantyl)-2-[3-[2-(1-adamantylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-2-[3-[2-(1-adamantylamino)-2-oxoethyl]-2-iminobenzimidazol-1-yl]acetamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)CN4C5=CC=CC=C5N(C4=N)CC(=O)NC67CC8CC(C6)CC(C8)C7","MIPWDTYHLMYPFU-UHFFFAOYSA-N",374152,NA,"PDBC40671","651609","Present",NA,NA
+"40672","N-(1-Adamantyl)-2-imino-8-methoxychromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-2-imino-8-methoxychromene-3-carboxamide",NA,"COC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC34CC5CC(C3)CC(C5)C4","XFAVPASSTZVDQD-UHFFFAOYSA-N",397089,NA,"PDBC40672","704402","Present",NA,NA
+"40673","N-(1-Adamantyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)CCC4=NC(=S)NN4","YKWRVLMSLLDHPR-UHFFFAOYSA-N",3004075,NA,"PDBC40673","625827","Present",NA,NA
+"40674","N-(1-Adamantyl)-3-amino-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-3-amino-1,4-dioxidoquinoxaline-1,4-diium-2-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)C4=[N+](C5=CC=CC=C5[N+](=C4N)[O-])[O-]","QWNNKRJQLDHOAJ-UHFFFAOYSA-N",135503386,NA,"PDBC40674","621501","Present",NA,NA
+"40675","N-(1-Adamantyl)-3-cyano-2-((hydrazino(oxo)acetyl)hydrazono)-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-3-cyano-2-((hydrazino(oxo)acetyl)hydrazono)-3-phenylpropanamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)C(=NNC(=O)C(=O)NN)C(C#N)C4=CC=CC=C4","UQHSDYKSAAWQDB-IMRQLAEWSA-N",6387240,NA,"PDBC40675","632009","Present",NA,NA
+"40676","N-(1-Adamantyl)-3-methyl-2,5-dioxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-3-methyl-2,5-dioxooctanamide",NA,"CCCC(=O)CC(C)C(=O)C(=O)NC12CC3CC(C1)CC(C3)C2","WDNIRTXOFGWTEX-UHFFFAOYSA-N",366644,NA,"PDBC40676","635319","Present",NA,NA
+"40677","N-(1-Adamantyl)-4,6-dichloro-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-4,6-dichloro-1,3,5-triazin-2-amine",NA,"C1C2CC3CC1CC(C2)(C3)NC4=NC(=NC(=N4)Cl)Cl","IPMAYRSAULHSBP-UHFFFAOYSA-N",394864,NA,"PDBC40677","698953","Present",NA,NA
+"40678","N-(1-Adamantyl)-4-(2-hydroxyanilino)-2-oxo-4-phenyl-3-butenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-4-(2-hydroxyanilino)-2-oxo-4-phenyl-3-butenamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C=C(C4=CC=CC=C4)NC5=CC=CC=C5O","MHDXCSDIZXPUNR-XKZIYDEJSA-N",5468018,NA,"PDBC40678","662433","Present",NA,NA
+"40679","N-(1-Adamantyl)-4-(2-methoxyanilino)-2-oxo-4-phenyl-3-butenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-4-(2-methoxyanilino)-2-oxo-4-phenyl-3-butenamide",NA,"COC1=CC=CC=C1NC(=CC(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CC=C5","CRAJLCZRRSWYFN-UCQKPKSFSA-N",5468019,NA,"PDBC40679","662434","Present",NA,NA
+"40680","N-(1-Adamantyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5","CPJXGSSAFOBYDR-UHFFFAOYSA-N",393096,NA,"PDBC40680","694480","Present",NA,NA
+"40681","N-(1-Adamantyl)-4-[(4-amino-8-hydroxy-2-iminopteridin-6-yl)methyl-methylamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-4-[(4-amino-8-hydroxy-2-iminopteridin-6-yl)methyl-methylamino]benzamide",NA,"CN(CC1=CN(C2=NC(=N)N=C(C2=N1)N)O)C3=CC=C(C=C3)C(=O)NC45CC6CC(C4)CC(C6)C5","NWYMAUAMWDLWDQ-UHFFFAOYSA-N",3706048,NA,"PDBC40681","694481","Present",NA,NA
+"40682","N-(1-Adamantyl)-5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinecarboxamide",NA,"CC1=CN(C(=O)NC1=O)C(=O)NC23CC4CC(C2)CC(C4)C3","ZISBOQPINIUFKF-UHFFFAOYSA-N",389361,NA,"PDBC40682","685406","Present",NA,NA
+"40683","N-(1-Adamantyl)-6-amino-9H-purine-9-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-6-amino-9H-purine-9-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)N4C=NC5=C(N=CN=C54)N","KMMRHEDXVKAPHE-UHFFFAOYSA-N",389362,NA,"PDBC40683","685407","Present",NA,NA
+"40684","N-(1-Adamantyl)-6-chloropurine-9-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-6-chloropurine-9-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)N4C=NC5=C4N=CN=C5Cl","KNNMUTUOWKLLJL-UHFFFAOYSA-N",400163,NA,"PDBC40684","711663","Present",NA,NA
+"40685","N-(1-Adamantyl)-9-[[3-(chloromethyl)phenyl]methyl]purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-9-[[3-(chloromethyl)phenyl]methyl]purin-6-amine",NA,"C1C2CC3CC1CC(C2)(C3)NC4=C5C(=NC=N4)N(C=N5)CC6=CC(=CC=C6)CCl","FNRJUVSPIVSVBE-UHFFFAOYSA-N",24205047,NA,"PDBC40685","734082","Present",NA,NA
+"40686","N-(1-Adamantyl)-N'-(2,4-bis(hydroxy(oxido)amino)phenyl)-3-bromo-2,4-dioxo-4-phenylbutanehydrazonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(1-Adamantyl)-3-bromo-N-(2,4-dinitroanilino)-2,4-dioxo-4-phenylbutanimidamide",NA,"C1C2CC3CC1CC(C2)(C3)N=C(C(=O)C(C(=O)C4=CC=CC=C4)Br)NNC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","QYEDGIXYKFCJQL-UHFFFAOYSA-N",5238222,NA,"PDBC40686","662436","Present",NA,NA
+"40687","N-(1-Adamantyl)-N-(2,3-dichlorobenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(2,3-dichlorobenzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=C(C(=CC=C4)Cl)Cl","VEFFWOSIMRUSIL-UHFFFAOYSA-N",378754,NA,"PDBC40687","661910","Present",NA,NA
+"40688","N-(1-Adamantyl)-N-(2,4-dichlorobenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OLXXNSLCIAHKSO-KEBDBYFISA-N",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=C(C=C4)Cl)Cl","OLXXNSLCIAHKSO-UHFFFAOYSA-N",378755,NA,"PDBC40688","661911","Present",NA,NA
+"40689","N-(1-Adamantyl)-N-(2,5-difluorobenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(2,5-difluorobenzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC(=C4)F)F","RNBVJGHHGDCYQR-UHFFFAOYSA-N",378759,NA,"PDBC40689","661915","Present",NA,NA
+"40690","N-(1-Adamantyl)-N-(2,6-dichlorobenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(2,6-dichlorobenzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC=C4Cl)Cl","OIGCCSZNCUVNFP-UHFFFAOYSA-N",378756,NA,"PDBC40690","661912","Present",NA,NA
+"40691","N-(1-Adamantyl)-N-(2-(trifluoromethyl)benzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(2-(trifluoromethyl)benzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC=CC=C4C(F)(F)F","RUJYCLYAUYIMSU-UHFFFAOYSA-N",364596,NA,"PDBC40691","631086","Present",NA,NA
+"40692","N-(1-Adamantyl)-N-(2-methoxybenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(2-methoxybenzylidene)amine",NA,"COC1=CC=CC=C1C=NC23CC4CC(C2)CC(C4)C3","MYAKFRXXXJBNJU-UHFFFAOYSA-N",365169,NA,"PDBC40692","632379","Present",NA,NA
+"40693","N-(1-Adamantyl)-N-(2-methylbenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-adamantyl)-1-(o-tolyl)methanimine",NA,"CC1=CC=CC=C1C=NC23CC4CC(C2)CC(C4)C3","VDECDUYLXXIOJJ-UHFFFAOYSA-N",364593,NA,"PDBC40693","631083","Present",NA,NA
+"40694","N-(1-Adamantyl)-N-(3,4-dichlorobenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(3,4-dichlorobenzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=C(C=C4)Cl)Cl","YJZXPHHSCIRSBA-UHFFFAOYSA-N",378757,NA,"PDBC40694","661913","Present",NA,NA
+"40695","N-(1-Adamantyl)-N-(3,5-dichlorobenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(3,5-dichlorobenzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC(=C4)Cl)Cl","DUNHKUVZACYFMR-UHFFFAOYSA-N",378758,NA,"PDBC40695","661914","Present",NA,NA
+"40696","N-(1-Adamantyl)-N-(3-(trifluoromethyl)benzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(3-(trifluoromethyl)benzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)C(F)(F)F","XYIRUPKPWGZIGW-UHFFFAOYSA-N",364597,NA,"PDBC40696","631087","Present",NA,NA
+"40697","N-(1-Adamantyl)-N-(3-bromobenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(3-bromobenzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)Br","BAAWRWNWFZIBDZ-UHFFFAOYSA-N",364587,NA,"PDBC40697","631077","Present",NA,NA
+"40698","N-(1-Adamantyl)-N-(3-fluorobenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(3-fluorobenzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC=C4)F","SBYXKPMABCQSKG-UHFFFAOYSA-N",364592,NA,"PDBC40698","631082","Present",NA,NA
+"40699","N-(1-Adamantyl)-N-(3-methoxybenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(3-methoxybenzylidene)amine",NA,"COC1=CC=CC(=C1)C=NC23CC4CC(C2)CC(C4)C3","CDYNCEJANNWBSO-UHFFFAOYSA-N",365170,NA,"PDBC40699","632380","Present",NA,NA
+"40700","N-(1-Adamantyl)-N-(3-methylbenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-adamantyl)-1-(m-tolyl)methanimine",NA,"CC1=CC(=CC=C1)C=NC23CC4CC(C2)CC(C4)C3","HLGVZVNEMYYNSJ-UHFFFAOYSA-N",364594,NA,"PDBC40700","631084","Present",NA,NA
+"40701","N-(1-Adamantyl)-N-(4-(trifluoromethyl)benzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(4-(trifluoromethyl)benzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)C(F)(F)F","SNHRBGUCTQBQPK-UHFFFAOYSA-N",365168,NA,"PDBC40701","632378","Present",NA,NA
+"40702","N-(1-Adamantyl)-N-(4-bromobenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(4-bromobenzylidene)amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=CC=C(C=C4)Br","VZOLYHHSYZOVNN-UHFFFAOYSA-N",364588,NA,"PDBC40702","631078","Present",NA,NA
+"40703","N-(1-Adamantyl)-N-(4-methylbenzylidene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZIXNNHAEEXZXRN-XDHOZWIPSA-N",NA,"CC1=CC=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3","ZIXNNHAEEXZXRN-UHFFFAOYSA-N",364595,NA,"PDBC40703","631085","Present",NA,NA
+"40704","N-(1-Adamantyl)-N-(cyclohexylmethylene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)-N-(cyclohexylmethylene)amine",NA,"C1CCC(CC1)C=NC23CC4CC(C2)CC(C4)C3","CQDPXDKIDCZYNO-UHFFFAOYSA-N",377489,NA,"PDBC40704","658957","Present",NA,NA
+"40705","N-(1-Adamantyl)purine-9-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Adamantyl)purine-9-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)N4C=NC5=CN=CN=C54","JLWYRZCZPSCZMA-UHFFFAOYSA-N",400162,NA,"PDBC40705","711662","Present",NA,NA
+"40706","N-(1-Amino-3-methyl-1-oxopentan-2-yl)-1-[2-(2-aminopropanoylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Amino-3-methyl-1-oxopentan-2-yl)-1-[2-(2-aminopropanoylamino)-3-methylbutanoyl]pyrrolidine-2-carboxamide;2,2,2-trifluoroacetic acid",NA,"CCC(C)C(C(=O)N)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(=O)C(C)N.C(=O)(C(F)(F)F)O","QFCLXZMMMWAIDT-UHFFFAOYSA-N",406741,NA,"PDBC40706","725021","Present",NA,NA
+"40707","N-(1-Anthryl)-2-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-6-methyl-5-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Anthryl)-2-hydroxy-4-((2-((2-hydroxyethyl)amino)ethyl)amino)-6-methyl-5-pyrimidinecarboxamide",NA,"CC1=C(C(=NC(=O)N1)NCCNCCO)C(=O)NC2=CC=CC3=CC4=CC=CC=C4C=C32","NFDFVCRJQZFRGP-UHFFFAOYSA-N",386388,NA,"PDBC40707","678359","Present",NA,NA
+"40708","N-(1-Benzyl-2-((1-methyl-2-(methylamino)-2-oxoethyl)amino)-2-oxoethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(1-(methylamino)-1-oxopropan-2-ylamino)-1-oxo-3-phe...",NA,"CC(C(=O)NC)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2","ZVWIAQOLLNVEGA-UHFFFAOYSA-N",381734,NA,"PDBC40708","668594","Present",NA,NA
+"40709","N-(1-Benzyl-2-(1-pyrrolidinyl)-2-thioxoethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Benzyl-2-(1-pyrrolidinyl)-2-thioxoethyl)acetamide",NA,"CC(=O)NC(CC1=CC=CC=C1)C(=S)N2CCCC2","IGDVIXUYXFAKFT-UHFFFAOYSA-N",370702,NA,"PDBC40709","644199","Present",NA,NA
+"40710","N-(1-Benzyl-4-(1-cyclohexyl-1H-tetraazol-5-yl)-4-piperidinyl)-N-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Benzyl-4-(1-cyclohexyl-1H-tetraazol-5-yl)-4-piperidinyl)-N-phenylacetamide",NA,"CC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CC3=CC=CC=C3)C4=NN=NN4C5CCCCC5","JJAIFNATPYBRAI-UHFFFAOYSA-N",379868,NA,"PDBC40710","665005","Present",NA,NA
+"40711","N-(1-Benzyl-4-piperidinyl)-2-iodobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Benzyl-4-piperidinyl)-2-iodobenzamide",NA,"C1CN(CCC1NC(=O)C2=CC=CC=C2I)CC3=CC=CC=C3","KARHAJNERWKAIT-UHFFFAOYSA-N",381254,NA,"PDBC40711","667671","Present",NA,NA
+"40712","N-(1-Benzyl-4-piperidinyl)-3-iodobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Benzyl-4-piperidinyl)-3-iodobenzamide",NA,"C1CN(CCC1NC(=O)C2=CC(=CC=C2)I)CC3=CC=CC=C3","VOIQMSJHUQWNSN-UHFFFAOYSA-N",381255,NA,"PDBC40712","667673","Present",NA,NA
+"40713","N-(1-Benzyl-4-piperidinylidene)-1-piperidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Benzyl-4-piperidinylidene)-1-piperidinamine",NA,"C1CCN(CC1)N=C2CCN(CC2)CC3=CC=CC=C3","XHMHPXHCLICECY-UHFFFAOYSA-N",379970,NA,"PDBC40713","665277","Present",NA,NA
+"40714","N-(1-Benzylimidazolin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Benzylimidazolin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NCCN2CC3=CC=CC=C3","HEJLUTIITSRTAL-UHFFFAOYSA-N",397055,NA,"PDBC40714","704337","Present",NA,NA
+"40715","N-(1-Benzylpiperidin-4-yl)-4-iodobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-IBP",NA,"C1CN(CCC1NC(=O)C2=CC=C(C=C2)I)CC3=CC=CC=C3","HELCSESNNDZLFM-UHFFFAOYSA-N",132995,NA,"PDBC40715","667672","Present",NA,NA
+"40716","N-(1-Chloro-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-4-fluorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Chloro-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-4-fluorobenzamide",NA,"C1=CC(=CC=C1C(=O)NC(C(F)(F)F)(C(F)(F)F)Cl)F","UFEFZALBEJBCMA-UHFFFAOYSA-N",389148,NA,"PDBC40716","684832","Present",NA,NA
+"40717","N-(1-Cyano-1-phenylethyl)-N-(2-phenylethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Cyano-1-phenylethyl)-N-(2-phenylethyl)acetamide",NA,"CC(=O)N(CCC1=CC=CC=C1)C(C)(C#N)C2=CC=CC=C2","QCIKQMBLZNMIAH-UHFFFAOYSA-N",387711,NA,"PDBC40717","681740","Present",NA,NA
+"40718","N-(1-Cyano-1-phenylpropyl)-N-(2-phenylethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Cyano-1-phenylpropyl)-N-(2-phenylethyl)benzamide",NA,"CCC(C#N)(C1=CC=CC=C1)N(CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3","AHWYAIGADCNSTP-UHFFFAOYSA-N",387712,NA,"PDBC40718","681741","Present",NA,NA
+"40719","N-(1-Cyano-2-methoxyethyl)doxorubicin, hemihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Cyano-2-methoxyethyl)doxorubicin, hemihydrate",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(COC)C#N)O","GYCDKMVFGHDCQH-UHFFFAOYSA-N",438492,NA,"PDBC40719","639659","Present",NA,NA
+"40720","N-(1-Cyclopentenyl)-N',N'-diphenyltrifluoroacetohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Cyclopentenyl)-N',N'-diphenyltrifluoroacetohydrazide",NA,"C1CC=C(C1)N(C(=O)C(F)(F)F)N(C2=CC=CC=C2)C3=CC=CC=C3","LAXMVLSYSRCXBJ-UHFFFAOYSA-N",401321,NA,"PDBC40720","714631","Present",NA,NA
+"40721","N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-methionine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-methionine",NA,"CSCCC(C(=O)O)N(CC1(C(C(C(CO1)O)O)O)O)N=O","SRNXMKFKDGBPJW-UHFFFAOYSA-N",371822,NA,"PDBC40721","646338","Present",NA,NA
+"40722","N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-threonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-threonine",NA,"CC(C(C(=O)O)N(CC1(C(C(C(CO1)O)O)O)O)N=O)O","XKGFBXMVLNFKCK-UHFFFAOYSA-N",371820,NA,"PDBC40722","646336","Present",NA,NA
+"40723","N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-tryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-tryptophan",NA,"C1C(C(C(C(O1)(CN(C(CC2=CNC3=CC=CC=C32)C(=O)O)N=O)O)O)O)O","SRNPMGDQUWLAEO-UHFFFAOYSA-N",371823,NA,"PDBC40723","646339","Present",NA,NA
+"40724","N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-valine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Deoxy-D-fructos-1-yl)-N-nitroso-L-valine",NA,"CC(C)C(C(=O)O)N(CC1(C(C(C(CO1)O)O)O)O)N=O","JHNVKDQXPANPLJ-UHFFFAOYSA-N",371821,NA,"PDBC40724","646337","Present",NA,NA
+"40725","N-(1-Ethoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Ethoxy-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)propanamide",NA,"CCC(=O)NC(C(F)(F)F)(C(F)(F)F)OCC","GSMHOOASLPEBRE-UHFFFAOYSA-N",383584,NA,"PDBC40725","672002","Present",NA,NA
+"40726","N-(1-Ethoxy-2,2,2-trifluoro-1-hydroxyethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Ethoxy-2,2,2-trifluoro-1-hydroxyethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide",NA,"CCOC(C(F)(F)F)(NC(=O)C(C(F)(F)F)C(F)(F)F)O","VONNDZUFYWLTIP-UHFFFAOYSA-N",383673,NA,"PDBC40726","672091","Present",NA,NA
+"40727","N-(1-Formyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Formyl-3,4,4a,5,6,7,8,8a-octahydro-2H-naphthalen-1-yl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2(CCCC3C2CCCC3)C=O","MNWXOSNCJLKFNN-UHFFFAOYSA-N",359234,NA,"PDBC40727","619943","Present",NA,NA
+"40728","N-(1-Methoxy-2-phenylethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Methoxy-2-phenylethyl)acetamide",NA,"CC(=O)NC(CC1=CC=CC=C1)OC","DVKUUBLJWTXPQP-UHFFFAOYSA-N",381471,NA,"PDBC40728","668058","Present",NA,NA
+"40729","N-(1-Methyl-1-(4-methyl-3-phenyl-3-cyclohexen-1-yl)ethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Methyl-1-(4-methyl-3-phenyl-3-cyclohexen-1-yl)ethyl)acetamide",NA,"CC1=C(CC(CC1)C(C)(C)NC(=O)C)C2=CC=CC=C2","PWOMHBOFMXNNQO-UHFFFAOYSA-N",376001,NA,"PDBC40729","656381","Present",NA,NA
+"40730","N-(1-Methyl-1-(4-methylcyclohexyl)ethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(p-menth-8-yl)acetamide",NA,"CC1CCC(CC1)C(C)(C)NC(=O)C","MDGYIWOSJQTJJU-UHFFFAOYSA-N",379924,NA,"PDBC40730","665116","Present",NA,NA
+"40731","N-(1-Methyl-1H-benzimidazol-2-yl)-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZAWUKQCLEWGNRF-UHFFFAOYSA-N",NA,"CN1C2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC=C3","ZAWUKQCLEWGNRF-UHFFFAOYSA-N",391368,NA,"PDBC40731","690403","Present",NA,NA
+"40732","N-(1-Methyl-2-(4-pyridinylimino)propylidene)-4-pyridinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Methyl-2-(4-pyridinylimino)propylidene)-4-pyridinamine",NA,"CC(=NC1=CC=NC=C1)C(=NC2=CC=NC=C2)C","DFELOQNKMKLUIF-UHFFFAOYSA-N",389337,NA,"PDBC40732","685286","Present",NA,NA
+"40733","N-(1-Methyl-4(1H)-pyridinylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Methyl-4(1H)-pyridinylidene)benzenesulfonamide",NA,"CN1C=CC(=NS(=O)(=O)C2=CC=CC=C2)C=C1","YXELIVJTXGJKNW-UHFFFAOYSA-N",371883,NA,"PDBC40733","646465","Present",NA,NA
+"40734","N-(1-Methyl-4-oxo-2,6-diphenylpiperidin-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Methyl-4-oxo-2,6-diphenylpiperidin-3-yl)acetamide",NA,"CC(=O)NC1C(N(C(CC1=O)C2=CC=CC=C2)C)C3=CC=CC=C3","JDYAEPOVCTZWTD-UHFFFAOYSA-N",338325,NA,"PDBC40734","360219","Present",NA,NA
+"40735","N-(1-Naphthyl)-2-(phenylthio)ethanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Naphthyl)-2-(phenylthio)ethanethioamide",NA,"C1=CC=C(C=C1)SCC(=S)NC2=CC=CC3=CC=CC=C32","MIVUWDBSUAOVIB-UHFFFAOYSA-N",3246501,NA,"PDBC40735","158011","Present",NA,NA
+"40736","N-(1-Naphthylmethylene)-N-(3-(4-(3-((1-naphthylmethylene)amino)propyl)-1-piperazinyl)propyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Naphthylmethylene)-N-(3-(4-(3-((1-naphthylmethylene)amino)propyl)-1-piperazinyl)propyl)amine",NA,"C1CN(CCN1CCCN=CC2=CC=CC3=CC=CC=C32)CCCN=CC4=CC=CC5=CC=CC=C54","ZKCUZGOPVAICQU-UHFFFAOYSA-N",382429,NA,"PDBC40736","669996","Present",NA,NA
+"40737","N-(1-Phenylethyl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z53825003",NA,"CC(C1=CC=CC=C1)NS(=O)(=O)C","SHEXGLJFVVRUCZ-UHFFFAOYSA-N",380740,NA,"PDBC40737","666447","Present",NA,NA
+"40738","N-(1-Tert-butyl-3-cyclopropyl-1H-pyrazol-5-yl)-N'-(4-chlorophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-Tert-butyl-3-cyclopropyl-1H-pyrazol-5-yl)-N'-(4-chlorophenyl)urea",NA,"CC(C)(C)N1C(=CC(=N1)C2CC2)NC(=O)NC3=CC=C(C=C3)Cl","GTVJMLKPCKBNMX-UHFFFAOYSA-N",339572,NA,"PDBC40738","366801","Present",NA,NA
+"40739","N-(10-Methoxy-9-phenanthryl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(10-Methoxy-9-phenanthryl)acetamide",NA,"CC(=O)NC1=C(C2=CC=CC=C2C3=CC=CC=C31)OC","WRKYPBXLNCCOCV-UHFFFAOYSA-N",233294,NA,"PDBC40739","31698","Present",NA,NA
+"40740","N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-2-piperidin-1-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-2-piperidin-1-ylacetamide",NA,"C1CCN(CC1)CC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O","RMBSVWCCHOJBRF-UHFFFAOYSA-N",383032,NA,"PDBC40740","671013","Present",NA,NA
+"40741","N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-2-pyrrolidin-1-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-2-pyrrolidin-1-ylacetamide",NA,"C1CCN(C1)CC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O","IZVRZVIYRDCFQT-UHFFFAOYSA-N",383034,NA,"PDBC40741","671015","Present",NA,NA
+"40742","N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-3-piperidin-1-ylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-3-piperidin-1-ylpropanamide",NA,"C1CCN(CC1)CCC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O","WNHDOFVMJQNDOF-UHFFFAOYSA-N",383031,NA,"PDBC40742","671012","Present",NA,NA
+"40743","N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-3-pyrrolidin-1-ylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(10-Oxothiochromeno[3,2-b]pyridin-2-yl)-3-pyrrolidin-1-ylpropanamide",NA,"C1CCN(C1)CCC(=O)NC2=NC3=C(C=C2)SC4=CC=CC=C4C3=O","TYVCKMXCZMLZNV-UHFFFAOYSA-N",383035,NA,"PDBC40743","671016","Present",NA,NA
+"40744","N-(11,29-Dihydroxy-10,24-dimethyl-2,9,12,19,23,26-hexaoxo-21-propan-2-yl-22-oxa-1,7,8,11,17,18,25,31-octazatetracyclo[25.4.0.03,8.013,18]hentriacontan-20-yl)-2-(6-ethyl-2-hydroxy-5-propyloxan-2-yl)-2-hydroxypropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(11,29-Dihydroxy-10,24-dimethyl-2,9,12,19,23,26-hexaoxo-21-propan-2-yl-22-oxa-1,7,8,11,17,18,25,31-octazatetracyclo[25.4.0.03,8.013,18]hentriacontan-20-yl)-2-(6-ethyl-2-hydroxy-5-propyloxan-2-yl)-2-",NA,"CCCC1CCC(OC1CC)(C(C)(C(=O)NC2C(OC(=O)C(NC(=O)C3CC(CNN3C(=O)C4CCCNN4C(=O)C(N(C(=O)C5CCCNN5C2=O)O)C)O)C)C(C)C)O)O","BJUCZDYVLAQTFF-UHFFFAOYSA-N",54613466,NA,"PDBC40744","748877","Present",NA,NA
+"40745","N-(11H-Indolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(11H-Indolo[3,2-c]quinolin-6-yl)-N',N'-dimethylpropane-1,3-diamine",NA,"CN(C)CCCNC1=NC2=CC=CC=C2C3=C1C4=CC=CC=C4N3","YDDJZBOVSWPZMR-UHFFFAOYSA-N",24204051,NA,"PDBC40745","730508","Present",NA,NA
+"40746","N-(12-Oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(12-Oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)butanamide",NA,"CCCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2","IBOAFUMBICXQKT-UHFFFAOYSA-N",356024,NA,"PDBC40746","611003","Present",NA,NA
+"40747","N-(12-Oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(12-Oxo-10H-isoindolo[1,2-b]quinazolin-8-yl)propanamide",NA,"CCC(=O)NC1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)N3C2","FVAUFZKJZPSFDC-UHFFFAOYSA-N",24201958,NA,"PDBC40747","611002","Present",NA,NA
+"40748","N-(17beta-Dimethylamino-3beta-androstanyl)-N'-[2-phenyl-1-(2-thiazolyl)ethyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(17.beta.-Dimethylamino-3.beta.-androstanyl)-N'-[2-phe...",NA,"CC12CCC(CC1CCC3C2CCC4(C3CCC4N(C)C)C)NC(=O)NC(CC5=CC=CC=C5)C6=NC=CS6","QPOUCHIQTFZFLC-JNKAUUNZSA-N",54608130,NA,"PDBC40748","647889","Present",NA,NA
+"40749","N-(1E-Pentenyl)-2Z,4Z-heptadienamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1E-pentenyl)-2Z,4Z-heptadienamide",NA,"CCCC=CNC(=O)C=CC=CCC","JDFJAHGFIVKJBK-IZYYEFCUSA-N",5471986,NA,"PDBC40749","715759","Present",NA,NA
+"40750","N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-(1-piperidinyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-(1-piperidinyl)aniline",NA,"C1CCN(CC1)C2=CC=C(C=C2)NCN3C4=CC=CC=C4N=N3","FEJWFJLDFCOIKG-UHFFFAOYSA-N",374216,NA,"PDBC40750","651706","Present",NA,NA
+"40751","N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-(4-morpholinyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1H-1,2,3-Benzotriazol-1-ylmethyl)-4-(4-morpholinyl)aniline",NA,"C1COCCN1C2=CC=C(C=C2)NCN3C4=CC=CC=C4N=N3","NPLYMUHRIYZVLO-UHFFFAOYSA-N",374215,NA,"PDBC40751","651705","Present",NA,NA
+"40752","N-(1H-1,2,4-Triazol-5-yl)formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,2,4-Triazol-5-ylformamide",NA,"C1=NNC(=N1)NC=O","WDTLDGKGWGDNSS-UHFFFAOYSA-N",266921,NA,"PDBC40752","105806","Present",NA,NA
+"40753","N-(1H-Benzimidazol-1-ylmethyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1H-Benzimidazol-1-ylmethyl)aniline",NA,"C1=CC=C(C=C1)NCN2C=NC3=CC=CC=C32","XEVXPIRXOWDVKA-UHFFFAOYSA-N",357883,NA,"PDBC40753","617417","Present",NA,NA
+"40754","N-(1H-Benzimidazol-2-ylmethyl)-4-(4,5-dihydroselenadiazol-4-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1H-Benzimidazol-2-ylmethyl)-4-(4,5-dihydroselenadiazol-4-yl)aniline",NA,"C1C(N=N[Se]1)C2=CC=C(C=C2)NCC3=NC4=CC=CC=C4N3","VGLXQBAWRKTWBQ-UHFFFAOYSA-N",374048,NA,"PDBC40754","651244","Present",NA,NA
+"40755","N-(1H-Benzimidazol-2-ylsulfanylmethyl)-N-ethylethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629705",NA,"CCN(CC)CSC1=NC2=CC=CC=C2N1.Cl","QDLVUJNKCGECLS-UHFFFAOYSA-N",364065,NA,"PDBC40755","629705","Present",NA,NA
+"40756","N-(1H-Benzo[d]imidazol-2(3H)-ylidene)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1H-benzo[d]imidazol-2(3H)-ylidene)-4-chloro-2-mercapt...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3N2","PJORYKXENKUDFV-UHFFFAOYSA-N",387425,NA,"PDBC40756","681174","Present",NA,NA
+"40757","N-(1H-Indol-2-yl)-N-(4-methyl-6-phenyl-2-pyrimidinyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1H-Indol-2-yl)-N-(4-methyl-6-phenyl-2-pyrimidinyl)amine",NA,"CC1=CC(=NC(=N1)NC2=CC3=CC=CC=C3N2)C4=CC=CC=C4","KDBFWRRBGLHYKD-UHFFFAOYSA-N",369578,NA,"PDBC40757","641447","Present",NA,NA
+"40758","N-(1H-Indol-3-ylmethyl)-1,1-dioxo-4-phenylpyrido[4,3-e][1,2,4]thiadiazin-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1H-Indol-3-ylmethyl)-1,1-dioxo-4-phenylpyrido[4,3-e][1,2,4]thiadiazin-3-imine",NA,"C1=CC=C(C=C1)N2C3=C(C=NC=C3)S(=O)(=O)NC2=NCC4=CNC5=CC=CC=C54","SJUALJMYHAXCNY-UHFFFAOYSA-N",135426739,NA,"PDBC40758","714645","Present",NA,NA
+"40759","N-(1H-Pyrazol-1-ylmethyl)(2-pyridinyl)-N-(2-pyridinylmethyl)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1H-Pyrazol-1-ylmethyl)(2-pyridinyl)-N-(2-pyridinylmethyl)methanamine",NA,"C1=CC=NC(=C1)CN(CC2=CC=CC=N2)CN3C=CC=N3","YPYQXDWFEISAQV-UHFFFAOYSA-N",361766,NA,"PDBC40759","625032","Present",NA,NA
+"40760","N-(2,1,3-Benzothiadiazol-4-yl)-8-chloro-3-methyl-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzo-2,1,3-thiadiazol-4-yl)-8-chloro-3-methyl-5,5-di...",NA,"CC1=CN=C2N1S(=O)(=O)C3=C(S2)C=C(C(=C3)C(=O)NC4=CC=CC5=NSN=C54)Cl","UWOHKJMAGPCDCR-UHFFFAOYSA-N",406656,NA,"PDBC40760","724896","Present",NA,NA
+"40761","N-(2,1,3-Benzothiadiazol-4-yl)-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,1,3-Benzothiadiazol-4-yl)-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,"C1=CC2=NSN=C2C(=C1)NC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O","NYRIXOYDRXFNGO-UHFFFAOYSA-N",397031,NA,"PDBC40761","704313","Present",NA,NA
+"40762","N-(2,2,2-Trifluoro-1-((4-methyl-2-pyridinyl)amino)-1-(trifluoromethyl)ethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2,2-Trifluoro-1-((4-methyl-2-pyridinyl)amino)-1-(trifluoromethyl)ethyl)benzamide",NA,"CC1=CC(=NC=C1)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C2=CC=CC=C2","HDPMRONJQVLTJD-UHFFFAOYSA-N",389126,NA,"PDBC40762","684811","Present",NA,NA
+"40763","N-(2,2,2-Trifluoro-1-(2-((4-methylphenyl)sulfonyl)hydrazino)-1-(trifluoromethyl)ethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2,2-Trifluoro-1-(2-((4-methylphenyl)sulfonyl)hydrazino)-1-(trifluoromethyl)ethyl)propanamide",NA,"CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NNS(=O)(=O)C1=CC=C(C=C1)C","ZAUUUQFEMMYOMK-UHFFFAOYSA-N",383563,NA,"PDBC40763","671981","Present",NA,NA
+"40764","N-(2,2,2-Trifluoro-1-(3-fluoro-2-methylanilino)-1-(trifluoromethyl)ethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2,2-Trifluoro-1-(3-fluoro-2-methylanilino)-1-(trifluoromethyl)ethyl)propanamide",NA,"CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=C(C(=CC=C1)F)C","WHHXLVLOSHYFAG-UHFFFAOYSA-N",383588,NA,"PDBC40764","672006","Present",NA,NA
+"40765","N-(2,2,2-Trifluoro-1-(4-fluoroanilino)-1-(trifluoromethyl)ethyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanamide, N-[2-[(4-fluorophenyl)amino]-1,1,1,3,3,3- he...",NA,"CCCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=C(C=C1)F","KQJJIYWCYIVGAC-UHFFFAOYSA-N",389152,NA,"PDBC40765","684836","Present",NA,NA
+"40766","N-(2,2-Bis(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-3(2H)-ylidene)(trimethyl)silanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2-Bis(trifluoromethyl)imidazo[2,1-b][1,3]benzothiazol-3(2H)-ylidene)(trimethyl)silanamine",NA,"C[Si](C)(C)N=C1C(N=C2N1C3=CC=CC=C3S2)(C(F)(F)F)C(F)(F)F","UBAATFMXUDNBFV-YVNNLAQVSA-N",9569941,NA,"PDBC40766","627051","Present",NA,NA
+"40767","N-(2,2-Dicyanovinyl)pyridine-4-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2-Dicyanovinyl)pyridine-4-carbothioamide",NA,"C1=CN=CC=C1C(=S)NC=C(C#N)C#N","JQDJDCUBYJRAGG-UHFFFAOYSA-N",3004574,NA,"PDBC40767","658484","Present",NA,NA
+"40768","N-(2,2-Diethoxyethyl)-3,3-diethoxy-1-propanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2-Diethoxyethyl)-3,3-diethoxy-1-propanamine",NA,"CCOC(CCNCC(OCC)OCC)OCC","AYQJBFKBVIODLQ-UHFFFAOYSA-N",377650,NA,"PDBC40768","659230","Present",NA,NA
+"40769","N-(2,2-Diethoxyethyl)-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2-Diethoxyethyl)-3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine",NA,"CCOC(CNC1=NN2C(=NN=C2S1)C)OCC","JBQSWZYMNLKSBW-UHFFFAOYSA-N",383497,NA,"PDBC40769","671882","Present",NA,NA
+"40770","N-(2,2-Diethoxyethyl)hexadecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2-Diethoxyethyl)hexadecanamide",NA,"CCCCCCCCCCCCCCCC(=O)NCC(OCC)OCC","KEXBMUDDYRVGOY-UHFFFAOYSA-N",368409,NA,"PDBC40770","639413","Present",NA,NA
+"40771","N-(2,2-Diethoxyethyl)tetradecan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Bis-(2-ethoxy)ethyl]-1-tetradecylamine",NA,"CCCCCCCCCCCCCCNCC(OCC)OCC","CTPIBYLTVIWKMP-UHFFFAOYSA-N",365736,NA,"PDBC40771","633686","Present",NA,NA
+"40772","N-(2,2-Dimethoxyethyl)-2-(3-phenylpropanoylamino)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2-Dimethoxyethyl)-2-(3-phenylpropanoylamino)propanamide",NA,"CC(C(=O)NCC(OC)OC)NC(=O)CCC1=CC=CC=C1","RYJHVZCRTYSICO-UHFFFAOYSA-N",387028,NA,"PDBC40772","680348","Present",NA,NA
+"40773","N-(2,2-Dimethoxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2-Dimethoxyethyl)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide",NA,"CC(C(=O)NCC(OC)OC)NC(=O)C=CC1=CC=CC=C1","YCPSGSWJPXCVLD-MDZDMXLPSA-N",5468966,NA,"PDBC40773","680347","Present",NA,NA
+"40774","N-(2,2-Dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2-Dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide",NA,"CC(=O)N(CC(OC)OC)C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2","BUBJVDFCKSCMCQ-UHFFFAOYSA-N",385078,NA,"PDBC40774","676007","Present",NA,NA
+"40775","N-(2,2-Dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2-Dimethoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide",NA,"COC(CN(C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2)C(=O)C5=CC=CC=C5)OC","ZGZRZHZYXTTWLH-UHFFFAOYSA-N",385079,NA,"PDBC40775","676008","Present",NA,NA
+"40776","N-(2,2-Dimethoxyethyl)tetradecan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,2-Dimethoxyethyl)tetradecan-1-amine",NA,"CCCCCCCCCCCCCCNCC(OC)OC","GPTJJYPTZIZMHQ-UHFFFAOYSA-N",368420,NA,"PDBC40776","639422","Present",NA,NA
+"40777","N-(2,3,5,5,6-Pentamethylbicyclo[2.2.1]hept-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3,5,5,6-Pentamethylbicyclo[2.2.1]hept-2-yl)acetamide",NA,"CC1C2CC(C1(C)C)C(C2(C)NC(=O)C)C","NUMKLBYYJZQOGT-UHFFFAOYSA-N",376017,NA,"PDBC40777","656397","Present",NA,NA
+"40778","N-(2,3-Di(2-pyridinyl)-6-quinoxalinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Di(2-pyridinyl)-6-quinoxalinyl)acetamide",NA,"CC(=O)NC1=CC2=C(C=C1)N=C(C(=N2)C3=CC=CC=N3)C4=CC=CC=N4","UGJQCBGRYMZZFI-UHFFFAOYSA-N",393977,NA,"PDBC40778","697064","Present",NA,NA
+"40779","N-(2,3-Dihydro-1H-inden-5-yl)-2,6-dimethoxy-4-pyrimidinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dihydro-1H-inden-5-yl)-2,6-dimethoxy-4-pyrimidinamine",NA,"COC1=NC(=NC(=C1)NC2=CC3=C(CCC3)C=C2)OC","AVNINNINMDLJBK-UHFFFAOYSA-N",389523,NA,"PDBC40779","685814","Present",NA,NA
+"40780","N-(2,3-Dihydro-1H-inden-5-yl)-4,5-dihydro-1,3-oxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxazolamine, N-(2,3-dihydro-1H-inden-5-yl)-4,5-dihydro-",NA,"C1CC2=C(C1)C=C(C=C2)NC3=NCCO3","WFWKKOBZBLAREI-UHFFFAOYSA-N",294117,NA,"PDBC40780","162083","Present",NA,NA
+"40781","N-(2,3-Dihydroxy-1,10-dimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-(5,6,7,9-tetrahydro-2,3-dihydroxy-1,10-dime...",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)O)O","DEIXKZGDCOFYAR-UHFFFAOYSA-N",100173,NA,"PDBC40781","354974","Present",NA,NA
+"40782","N-(2,3-Dihydroxypropyl)-1-{2-[(2,3-dihydroxypropyl)amino]-2-oxoethyl}-4-iodo-1H-pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dihydroxypropyl)-1-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]-4-iodopyrazole-3-carboxamide",NA,"C1=C(C(=NN1CC(=O)NCC(CO)O)C(=O)NCC(CO)O)I","AYQSTUAFJLIQME-UHFFFAOYSA-N",375566,NA,"PDBC40782","655354","Present",NA,NA
+"40783","N-(2,3-Dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;chloride",NA,"CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])C4=CC=CC=C4.[Cl-]","JBANJYHYPHFVFW-UHFFFAOYSA-M",24184591,NA,"PDBC40783","34927","Present",NA,NA
+"40784","N-(2,3-Dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethoxy-6-nitroacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;hydrochloride",NA,"CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])C4=CC=CC=C4.Cl","JBANJYHYPHFVFW-UHFFFAOYSA-N",24181641,NA,"PDBC40784","10594","Present",NA,NA
+"40785","N-(2,3-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=C(C(=CC=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C","OMIVORHCWUVUHR-UHFFFAOYSA-N",366107,NA,"PDBC40785","634394","Present",NA,NA
+"40786","N-(2,3-Dimethylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,"CC1=CC(=CC=C1)N=C2NC(=O)C(S2)CC(=O)NC3=CC=CC(=C3C)C","UDAKFWSHXSCEIC-UHFFFAOYSA-N",135460186,NA,"PDBC40786","632926","Present",NA,NA
+"40787","N-(2,3-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,"CC1=C(C(=CC=C1)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)C","KVOQJEUWQIGHNG-UHFFFAOYSA-N",368944,NA,"PDBC40787","640349","Present",NA,NA
+"40788","N-(2,3-Dimethylphenyl)-3-(3-hydroxy-2-quinoxalinyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethylphenyl)-3-(3-hydroxy-2-quinoxalinyl)-2-oxopropanamide",NA,"CC1=C(C(=CC=C1)NC(=O)C(=O)CC2=NC3=CC=CC=C3NC2=O)C","GZFYQVBNVCYWMM-UHFFFAOYSA-N",371565,NA,"PDBC40788","645894","Present",NA,NA
+"40789","N-(2,3-Dimethylphenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethylphenyl)-3-nitro-2-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)propanamide",NA,"CC1=C(C(=CC=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-])C","JYENQJXMPABEPI-UHFFFAOYSA-N",369838,NA,"PDBC40789","642035","Present",NA,NA
+"40790","N-(2,3-Dimethylphenyl)-3-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-DIMETHYLPHENYL)-3-PHENYLACRYLAMIDE",NA,"CC1=C(C(=CC=C1)NC(=O)C=CC2=CC=CC=C2)C","RQHNIXYBYDVNBQ-VAWYXSNFSA-N",924452,NA,"PDBC40790","191388","Present",NA,NA
+"40791","N-(2,3-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"CC1=C(C(=CC=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4)C","PISVECFSJKJLAU-UHFFFAOYSA-N",369476,NA,"PDBC40791","641246","Present",NA,NA
+"40792","N-(2,3-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C(C(=CC=C1)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C)C","UUCWPRWAEATLDQ-UHFFFAOYSA-N",366183,NA,"PDBC40792","634510","Present",NA,NA
+"40793","N-(2,3-Dimethylphenyl)-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,3-Dimethylphenyl)-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide",NA,"CC1=C(C(=CC=C1)NC(=O)C(=O)CC(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)OC)[O-])C)C","WLFQEGOQOIZBGU-UHFFFAOYSA-N",366328,NA,"PDBC40793","634676","Present",NA,NA
+"40794","N-(2,3-Dimethylphenyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4MePhSO2NH-xylyl",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2C)C","NPHSDBOKJYJHBH-UHFFFAOYSA-N",361279,NA,"PDBC40794","624222","Present",NA,NA
+"40795","N-(2,4,6-Trinitrophenyl)carbazol-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC41626///Carbazole, 9-(2,4,6-trinitroanilino)-",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3N2NC4=C(C=C(C=C4[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","FRLJBDXFYGRMJG-UHFFFAOYSA-N",77263,NA,"PDBC40795","41626///85021","Present",NA,NA
+"40796","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-((dibutylamino)methyl)-3-(isonicotinoylhydrazono)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-((dibutylamino)methyl)-3-(isonicotinoylhydrazono)butanamide",NA,"CCCCN(CCCC)CC(C(=NNC(=O)C1=CC=NC=C1)C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","PUJKUPVKRFEKCR-VEILYXNESA-N",5799047,NA,"PDBC40796","641828","Present",NA,NA
+"40797","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2,5-dioxo-4-imidazolidinyl)-2-(methylhydrazono)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2,5-dioxo-4-imidazolidinyl)-2-(methylhydrazono)acetamide",NA,"CNN=C(C1C(=O)NC(=O)N1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","SSGWIGQGYHMDAX-MFOYZWKCSA-N",9571343,NA,"PDBC40797","646784","Present",NA,NA
+"40798","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2-(4-chloro-2-methylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(4-Chloro-2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-dinitrophenyl)acetamide",NA,"CC1=C(C=CC(=C1)Cl)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","ONAUUOZCZJZPBW-UHFFFAOYSA-N",135463375,NA,"PDBC40798","632246","Present",NA,NA
+"40799","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2-chloroanilino)-4-oxo-4,5-dihydro-1,3-thiazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Chloroanilino)-N-(2,4-dinitrophenyl)-4-oxo-thiazole-5-carboxamide",NA,"C1=CC=C(C(=C1)N=C2NC(=O)C(S2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])Cl","UDTUHMYVLPIEBB-UHFFFAOYSA-N",135503441,NA,"PDBC40799","632241","Present",NA,NA
+"40800","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(=O)CC2C(=O)N=C(S2)N","BEIOEEYJKRINAY-UHFFFAOYSA-N",365333,NA,"PDBC40800","632924","Present",NA,NA
+"40801","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-2-(tert-butylhydrazono)-2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(Tert-butylhydrazono)-N-(2,4-dinitrophenyl)-2-(3-hydroxy-6-nitro-quinoxalin-2-yl)acetamide",NA,"CC(C)(C)NN=C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","RSYCCUXZNGIGKS-ULJHMMPZSA-N",135499299,NA,"PDBC40801","649565","Present",NA,NA
+"40802","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dinitrophenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","VFHXGINDQNUEFM-UHFFFAOYSA-N",369255,NA,"PDBC40802","640986","Present",NA,NA
+"40803","N-(2,4-Bis(hydroxy(oxido)amino)phenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3,4-Dichlorophenyl)-N-(2,4-dinitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]","BQNHFQJQQIQKMY-UHFFFAOYSA-N",370956,NA,"PDBC40803","644761","Present",NA,NA
+"40804","N-(2,4-Diamino-6-hydroxy-5-pyrimidinyl)-4-hydroxybutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Diamino-6-hydroxy-5-pyrimidinyl)-4-hydroxybutanamide",NA,"C(CC(=O)NC1=C(N=C(NC1=O)N)N)CO","WLFAMRISRNIXSA-UHFFFAOYSA-N",135489834,NA,"PDBC40804","682525","Present",NA,NA
+"40805","N-(2,4-Dichlorobenzyl)-3-(2-thienyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorobenzyl)-3-(2-thienyl)-2-quinoxalinamine",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NCC3=C(C=C(C=C3)Cl)Cl)C4=CC=CS4","KEXQXBOEEOIAKO-UHFFFAOYSA-N",367579,NA,"PDBC40805","637412","Present",NA,NA
+"40806","N-(2,4-Dichlorobenzylidene)-9H-fluoren-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorobenzylidene)-9H-fluoren-2-amine",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=C(C=C(C=C4)Cl)Cl","YKPFOXXJYJZZGO-UHFFFAOYSA-N",248618,NA,"PDBC40806","65933","Present",NA,NA
+"40807","N-(2,4-Dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydroiso...",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=NC=C3)C(=O)C(=O)NC4=C(C=C(C=C4)Cl)Cl","AACIAKQJXZKKOL-UHFFFAOYSA-N",370982,NA,"PDBC40807","644788","Present",NA,NA
+"40808","N-(2,4-Dichlorophenyl)-2,4-dioxo-4-(2-oxooxolan-3-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,"C1COC(=O)C1C(=O)CC(=O)C(=O)NC2=C(C=C(C=C2)Cl)Cl","PWRRQOGGJYNPTM-UHFFFAOYSA-N",361011,NA,"PDBC40808","623744","Present",NA,NA
+"40809","N-(2,4-Dichlorophenyl)-2-(2-(4-ethoxyanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-2-(2-(4-ethoxyanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,"CCOC1=CC=C(C=C1)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl","DUGLPIQQRFDHQV-UHFFFAOYSA-N",135500538,NA,"PDBC40809","632958","Present",NA,NA
+"40810","N-(2,4-Dichlorophenyl)-2-(hydroxyimino)-3-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-2-(hydroxyimino)-3-oxobutanamide",NA,"CC(=C(C(=O)NC1=C(C=C(C=C1)Cl)Cl)N=O)O","VBWQTHLPLBLXPM-WEVVVXLNSA-N",135510124,NA,"PDBC40810","636381","Present",NA,NA
+"40811","N-(2,4-Dichlorophenyl)-2-[2-(2,5-dimethylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-2-(2-(2,5-dimethylanilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,"CC1=CC(=C(C=C1)C)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)Cl)Cl","IRAMVOUQVQWORO-UHFFFAOYSA-N",135498428,NA,"PDBC40811","631557","Present",NA,NA
+"40812","N-(2,4-Dichlorophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,"C1=CC(=C(C=C1Cl)Cl)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O","BHDRXAQXVKOJRL-UHFFFAOYSA-N",371847,NA,"PDBC40812","646366","Present",NA,NA
+"40813","N-(2,4-Dichlorophenyl)-3-((1-naphthylsulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-3-((1-naphthylsulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,"C1=CC=C2C(=C1)C=CC=C2S(=O)(=O)NN3C=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=C(C=C(C=C5)Cl)Cl","QHJRQZOTBSXMQX-UHFFFAOYSA-N",390423,NA,"PDBC40813","687777","Present",NA,NA
+"40814","N-(2,4-Dichlorophenyl)-3-(3-methyl-2-quinoxalinyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-3-(3-methyl-2-quinoxalinyl)-2-oxopropanamide",NA,"CC1=NC2=CC=CC=C2N=C1CC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","DQNSLYSYXXCZHL-UHFFFAOYSA-N",371864,NA,"PDBC40814","646385","Present",NA,NA
+"40815","N-(2,4-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,"C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC2=NNC(=S)O2","XMRZKTCHTHBNHC-UHFFFAOYSA-N",3004203,NA,"PDBC40815","636103","Present",NA,NA
+"40816","N-(2,4-Dichlorophenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=C(C=C5)Cl)Cl","MFWDEFRHVJZVHJ-UHFFFAOYSA-N",369452,NA,"PDBC40816","641222","Present",NA,NA
+"40817","N-(2,4-Dichlorophenyl)-4-hydrazino-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS022038",NA,"C1=CC(=C(C=C1Cl)Cl)NC(=O)CCC(=O)NN","CXDVNAMCLHCSSW-UHFFFAOYSA-N",362231,NA,"PDBC40817","625834","Present",NA,NA
+"40818","N-(2,4-Dichlorophenyl)-5,7-dioxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-5,7-dioxooctanamide",NA,"CC(=O)CC(=O)CCCC(=O)NC1=C(C=C(C=C1)Cl)Cl","CLSZJSHYGXDSDZ-UHFFFAOYSA-N",360659,NA,"PDBC40818","622977","Present",NA,NA
+"40819","N-(2,4-Dichlorophenyl)-7-(2-naphthyl)-5,7-dioxoheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-7-(2-naphthyl)-5,7-dioxoheptanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)CCCC(=O)NC3=C(C=C(C=C3)Cl)Cl","CEVHSFMXLSCQBI-UHFFFAOYSA-N",364935,NA,"PDBC40819","631821","Present",NA,NA
+"40820","N-(2,4-Dichlorophenyl)-7-hydroxy-4-(hydroxyimino)-4H-chromene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-7-hydroxy-4-(hydroxyimino)-4H-chromene-2-carboxamide",NA,"C1=CC2=C(C=C1O)OC(=CC2=NO)C(=O)NC3=C(C=C(C=C3)Cl)Cl","IIHBAMOVYVKHJL-DEDYPNTBSA-N",135499232,NA,"PDBC40820","645889","Present",NA,NA
+"40821","N-(2,4-Dichlorophenyl)-8,10-dioxo-7,11-dioxaspiro[5.5]undecane-9-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-8,10-dioxo-7,11-dioxaspiro[5.5]undecane-9-carboxamide",NA,"C1CCC2(CC1)OC(=O)C(C(=O)O2)C(=O)NC3=C(C=C(C=C3)Cl)Cl","DFUFRIVWCSIXBB-UHFFFAOYSA-N",390182,NA,"PDBC40821","687331","Present",NA,NA
+"40822","N-(2,4-Dichlorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,"CC12CC(C(C(=O)N1)C(=O)NC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4O2","VQVGLJIQJXWRCS-UHFFFAOYSA-N",399143,NA,"PDBC40822","709562","Present",NA,NA
+"40823","N-(2,4-Dichlorophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dichlorophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","VEUWLYMTMCJJEX-UHFFFAOYSA-N",3000685,NA,"PDBC40823","646804","Present",NA,NA
+"40824","N-(2,4-Difluorophenyl)-3-(4-morpholinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_002890",NA,"C1COCCN1CCC(=O)NC2=C(C=C(C=C2)F)F","SKAWLRSYPHYZPA-UHFFFAOYSA-N",334917,NA,"PDBC40824","342057","Present",NA,NA
+"40825","N-(2,4-Difluorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Difluorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine",NA,"C=C1CN=C(S1)NC2=C(C=C(C=C2)F)F","LNWPMACBZBNWTA-UHFFFAOYSA-N",383604,NA,"PDBC40825","672022","Present",NA,NA
+"40826","N-(2,4-Difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C=C(C=C3)F)F","HKRGRJHREZWSQC-UHFFFAOYSA-N",404081,NA,"PDBC40826","720202","Present",NA,NA
+"40827","N-(2,4-Dimethoxyphenyl)-2-(2,4-dioxohexahydro-5-pyrimidinyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethoxyphenyl)-2-(2,4-dioxohexahydro-5-pyrimidinyl)-2-oxoacetamide",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)C2CNC(=O)NC2=O)OC","APTNRPQPNAXUHB-UHFFFAOYSA-N",371842,NA,"PDBC40827","646360","Present",NA,NA
+"40828","N-(2,4-Dimethoxyphenyl)-2-(hydroxyimino)-3-(3-hydroxy-2-quinoxalinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethoxyphenyl)-2-(hydroxyimino)-3-(3-hydroxy-2-quinoxalinyl)propanamide",NA,"COC1=CC(=C(C=C1)NC(=O)C(=NO)CC2=NC3=CC=CC=C3NC2=O)OC","YTLWDGPEWCMNBO-KQWNVCNZSA-N",9571336,NA,"PDBC40828","645896","Present",NA,NA
+"40829","N-(2,4-Dimethoxyphenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethoxyphenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=O)NC(=S)N2)OC","ZWXGVEPRAAYEPQ-UHFFFAOYSA-N",3004333,NA,"PDBC40829","646352","Present",NA,NA
+"40830","N-(2,4-Dimethoxyphenyl)-3-(3-hydroxy-6-nitroquinoxalin-2-yl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-dimethoxyphenyl)-3-(3-hydroxy-6-nitroquinoxalin-2...",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)OC","VMMHEEIITIVKGM-UHFFFAOYSA-N",372135,NA,"PDBC40830","647089","Present",NA,NA
+"40831","N-(2,4-Dimethoxyphenyl)-7-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethoxyphenyl)-7-hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxamide",NA,"COC1=CC(=C(C=C1)NC(=O)C2=CC(=O)C3=C(C2=O)C=C(C=C3)O)OC","SQGDKDYXXQKVGU-UHFFFAOYSA-N",371569,NA,"PDBC40831","645898","Present",NA,NA
+"40832","N-(2,4-Dimethylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)CC(=O)C2CCOC2=O)C","CYSDHONYXUYIBC-UHFFFAOYSA-N",361008,NA,"PDBC40832","623741","Present",NA,NA
+"40833","N-(2,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C","BQBDQDNQNFHEFK-UHFFFAOYSA-N",366118,NA,"PDBC40833","634405","Present",NA,NA
+"40834","N-(2,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=CC(=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O)C","BUNHENLRGZALHQ-UHFFFAOYSA-N",366112,NA,"PDBC40834","634399","Present",NA,NA
+"40835","N-(2,4-Dimethylphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethylphenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-oxoacetamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)C)C","ZPHZKFHVJKGLJA-UHFFFAOYSA-N",371977,NA,"PDBC40835","646791","Present",NA,NA
+"40836","N-(2,4-Dimethylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,"CC1=CC(=CC=C1)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)C)C","QZINZYOPMWSCGH-UHFFFAOYSA-N",135463833,NA,"PDBC40836","634480","Present",NA,NA
+"40837","N-(2,4-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)C","IIHBLOCSNFUZHN-UHFFFAOYSA-N",368945,NA,"PDBC40837","640350","Present",NA,NA
+"40838","N-(2,4-Dimethylphenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(2,4-dimethylphenyl...",NA,"CC1=CC(=C(C=C1)NC(=O)N2C(=CC(=N2)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC)C","HBLMAHQPUHUQJR-JMQWPVDRSA-N",155814474,NA,"PDBC40838","757926","Present",NA,NA
+"40839","N-(2,4-Dimethylphenyl)-3-isobutyryl-2-oxoheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethylphenyl)-3-isobutyryl-2-oxoheptanamide",NA,"CCCCC(C(=O)C(C)C)C(=O)C(=O)NC1=C(C=C(C=C1)C)C","VWDXFLXWWZRUOG-UHFFFAOYSA-N",364955,NA,"PDBC40839","631841","Present",NA,NA
+"40840","N-(2,4-Dimethylphenyl)-3-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-DIMETHYLPHENYL)-3-PHENYLACRYLAMIDE",NA,"CC1=CC(=C(C=C1)NC(=O)C=CC2=CC=CC=C2)C","LBOGMVZLOOVSQX-PKNBQFBNSA-N",721431,NA,"PDBC40840","191389","Present",NA,NA
+"40841","N-(2,4-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4)C","DARHRRKLYKFAEK-UHFFFAOYSA-N",369478,NA,"PDBC40841","641248","Present",NA,NA
+"40842","N-(2,4-Dinitroanilino)maleimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-DAM",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN2C(=O)C=CC2=O","NBLHPQHLKDLIKS-UHFFFAOYSA-N",152320,NA,"PDBC40842","653499","Present",NA,NA
+"40843","N-(2,4-Dinitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dinitrophenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide",NA,"C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","FEUDCKTXWIBMCA-UHFFFAOYSA-N",365334,NA,"PDBC40843","632925","Present",NA,NA
+"40844","N-(2,4-Dioxo-1H-pyrimidin-5-yl)nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(Hydroxydiazenyl)pyrimidine-2,4-diol",NA,"C1=C(C(=O)NC(=O)N1)NN=O","OIXPJPUFFXAGLN-UHFFFAOYSA-N",227928,NA,"PDBC40844","20116","Present",NA,NA
+"40845","N-(2,4-Dioxo-5,5-diphenyl-1,3-thiazinan-3-yl)-N-methylnitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,4-Dioxo-5,5-diphenyl-1,3-thiazinan-3-yl)-N-methylnitrous amide",NA,"CN(N=O)N1C(=O)C(CSC1=O)(C2=CC=CC=C2)C3=CC=CC=C3","CIVCDBNQNRXJNZ-UHFFFAOYSA-N",342855,NA,"PDBC40845","380743","Present",NA,NA
+"40846","N-(2,4-Xylyl)cyanothioformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000067",NA,"CC1=CC(=C(C=C1)NC(=S)C#N)C","VXJOTHCLHPEXMQ-UHFFFAOYSA-N",4682049,NA,"PDBC40846","369318","Present",NA,NA
+"40847","N-(2,5-Dichlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dichlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"C1=CC=C2C(=C1)NC(=O)C(S2(=O)=O)CC(=O)NC3=C(C=CC(=C3)Cl)Cl","LNYBVFLQHDQIAR-UHFFFAOYSA-N",366115,NA,"PDBC40847","634402","Present",NA,NA
+"40848","N-(2,5-Dichlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dichlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"C1=CC=C2C(=C1)NC(=O)C(S2=O)CC(=O)NC3=C(C=CC(=C3)Cl)Cl","JOYSVACVDYUTMT-UHFFFAOYSA-N",366120,NA,"PDBC40848","634407","Present",NA,NA
+"40849","N-(2,5-Dichlorophenyl)-2-(2,2-dimethyl-4-oxo-2,3,4,10-tetrahydro-1H-phenothiazin-3-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dichlorophenyl)-2-(2,2-dimethyl-4-oxo-3,10-dihydro-1H-phenothiazin-3-yl)-2-oxoacetamide",NA,"CC1(CC2=C(C(=O)C1C(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl)SC4=CC=CC=C4N2)C","HWTOLSWCHKVEEN-UHFFFAOYSA-N",373352,NA,"PDBC40849","649568","Present",NA,NA
+"40850","N-(2,5-Dichlorophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dichlorophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,"C1=CC(=C(C=C1Cl)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)Cl","HXGLKNKJJJLXJN-UHFFFAOYSA-N",371845,NA,"PDBC40850","646364","Present",NA,NA
+"40851","N-(2,5-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,"C1=CC(=C(C=C1Cl)NC(=O)CCC2=NNC(=S)O2)Cl","CFUTVILZFDELSE-UHFFFAOYSA-N",3004202,NA,"PDBC40851","636102","Present",NA,NA
+"40852","N-(2,5-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dichlorophenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,"C1=CC(=C(C=C1Cl)NC(=O)CCC2=NC(=S)NN2)Cl","AZMGNIOPNFXTQV-UHFFFAOYSA-N",3004070,NA,"PDBC40852","625821","Present",NA,NA
+"40853","N-(2,5-Dichlorophenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dichlorophenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,"C1=CC=C2C(=C1)N=CC(=N2)C(C(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl)[N+](=O)[O-]","QPXNZMLOEBJWCU-UHFFFAOYSA-N",370981,NA,"PDBC40853","644787","Present",NA,NA
+"40854","N-(2,5-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=C(C=CC(=C3)Cl)Cl","NMDGCEFDWLGNQX-UHFFFAOYSA-N",364324,NA,"PDBC40854","630340","Present",NA,NA
+"40855","N-(2,5-Dihydroxystyryl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dihydroxystyryl)acetamide",NA,"CC(=O)NC=CC1=C(C=CC(=C1)O)O","TYVCZBIWWRZZHO-SNAWJCMRSA-N",6105823,NA,"PDBC40855","625301","Present",NA,NA
+"40856","N-(2,5-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)methanimine",NA,"COC1=CC(=C(C=C1)OC)N=CC2=CC(=C(C(=C2)OC)OC)OC","JBQWWSOCQKSNBJ-UHFFFAOYSA-N",396379,NA,"PDBC40856","702332","Present",NA,NA
+"40857","N-(2,5-Dimethoxyphenyl)-3-(((2,5-dimethoxyphenyl)sulfonyl)amino)-2-methyl-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethoxyphenyl)-3-[(2,5-dimethoxyphenyl)sulfonylamino]-2-methyl-4-oxoquinazoline-6-sulfonamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=C(C=CC(=C3)OC)OC)C(=O)N1NS(=O)(=O)C4=C(C=CC(=C4)OC)OC","HKXOFNRKPMNGOI-UHFFFAOYSA-N",390429,NA,"PDBC40857","687783","Present",NA,NA
+"40858","N-(2,5-Dimethoxyphenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethoxyphenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-2,4-dioxo-butanamide",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(=O)C(=O)NC5=C(C=CC(=C5)OC)OC","JRSCQQPMXVXDJV-UHFFFAOYSA-N",370959,NA,"PDBC40858","644764","Present",NA,NA
+"40859","N-(2,5-Dimethoxyphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethoxyphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"COC1=CC(=C(C=C1)OC)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","SCYNTKUOZGLNSD-UHFFFAOYSA-N",369260,NA,"PDBC40859","640991","Present",NA,NA
+"40860","N-(2,5-Dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-((4-(hydroxy(oxido)amino)phenyl)hydrazono)-7-oxoheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5E)-N-(2,5-Dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-5-[(4-nitrophenyl)hydrazinylidene]-7-oxoheptanamide",NA,"COC1=CC(=C(C=C1)OC)NC(=O)CCCC(=NNC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)C3=CC(=C(C=C3)O)OC","QBQLGLZARHBUQC-AJBULDERSA-N",9569983,NA,"PDBC40860","630306","Present",NA,NA
+"40861","N-(2,5-Dimethoxyphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethoxyphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,"COC1=CC(=C(C=C1)OC)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S","OIAAZNGSMSBDBK-UHFFFAOYSA-N",3000689,NA,"PDBC40861","648614","Present",NA,NA
+"40862","N-(2,5-Dimethylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)CC(=O)C2CCOC2=O","DNUROYBYTJZZAQ-UHFFFAOYSA-N",361014,NA,"PDBC40862","623747","Present",NA,NA
+"40863","N-(2,5-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","ZCTUUXXPXUVAIW-UHFFFAOYSA-N",366116,NA,"PDBC40863","634403","Present",NA,NA
+"40864","N-(2,5-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N","HJPKKBAVMOUFAV-UHFFFAOYSA-N",364944,NA,"PDBC40864","631830","Present",NA,NA
+"40865","N-(2,5-Dimethylphenyl)-2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634398///2H-1,4-Benzothiazin-3-one, 3,4-dihydro-2-[2-[(2,5-dimeth...",NA,"CC1=CC(=C(C=C1)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","NHJMZJXUSPDTJB-UHFFFAOYSA-N",366111,NA,"PDBC40865","634398///637603","Present",NA,NA
+"40866","N-(2,5-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',5'-salicyloxylidide, 3-nitro-",NA,"CC1=CC(=C(C=C1)C)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","ZHSZKAUBTWMIHX-UHFFFAOYSA-N",45953,NA,"PDBC40866","82029","Present",NA,NA
+"40867","N-(2,5-Dimethylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)CCC2=NC(=S)NN2","KDKSUKFFQJGRQN-UHFFFAOYSA-N",3004191,NA,"PDBC40867","635555","Present",NA,NA
+"40868","N-(2,5-Dimethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)CCC2=NNC(=S)O2","PVVJHSULBFZEOP-UHFFFAOYSA-N",3004207,NA,"PDBC40868","636108","Present",NA,NA
+"40869","N-(2,5-Dimethylphenyl)-3-(hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxopropanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","YXWSTVMWRYIPNV-UHFFFAOYSA-N",372921,NA,"PDBC40869","648633","Present",NA,NA
+"40870","N-(2,5-Dimethylphenyl)-3-(isonicotinoylhydrazono)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-3-(isonicotinoylhydrazono)butanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)CC(=NNC(=O)C2=CC=NC=C2)C","SICJKIQCDFCVSD-KGENOOAVSA-N",9571668,NA,"PDBC40870","641861","Present",NA,NA
+"40871","N-(2,5-Dimethylphenyl)-4,6-dioxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-4,6-dioxooctanamide",NA,"CCC(=O)CC(=O)CCC(=O)NC1=C(C=CC(=C1)C)C","YKFFUEGKFJWNEF-UHFFFAOYSA-N",361085,NA,"PDBC40871","623890","Present",NA,NA
+"40872","N-(2,5-Dimethylphenyl)-4-(1-naphthyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-4-(1-naphthyl)-2,4-dioxobutanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)CC(=O)C2=CC=CC3=CC=CC=C32","VIBKNVCDKSZYJG-UHFFFAOYSA-N",364967,NA,"PDBC40872","631853","Present",NA,NA
+"40873","N-(2,5-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","WBZYQVHSUBWZCY-UHFFFAOYSA-N",366287,NA,"PDBC40873","634638","Present",NA,NA
+"40874","N-(2,5-Dimethylphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","KDVUAQJLFSKMCS-UHFFFAOYSA-N",369254,NA,"PDBC40874","640985","Present",NA,NA
+"40875","N-(2,5-Dimethylphenyl)-7,7-dimethyl-4,6-dioxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-7,7-dimethyl-4,6-dioxooctanamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)CC(=O)C(C)(C)C","AGUZVYKWWWFYKP-UHFFFAOYSA-N",361087,NA,"PDBC40875","623892","Present",NA,NA
+"40876","N-(2,5-Dimethylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dimethylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S","BRBZRVKHWFYOQC-UHFFFAOYSA-N",3000682,NA,"PDBC40876","644776","Present",NA,NA
+"40877","N-(2,5-Dioxo-6H-pyrano[3,2-c]quinolin-3-yl)pyrazine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dioxo-6H-pyrano[3,2-c]quinolin-3-yl)pyrazine-2-carboxamide",NA,"C1=CC=C2C(=C1)C3=C(C=C(C(=O)O3)NC(=O)C4=NC=CN=C4)C(=O)N2","XMXBHIZNDMHXCY-UHFFFAOYSA-N",392002,NA,"PDBC40877","691796","Present",NA,NA
+"40878","N-(2,5-Dioxopyrano[3,2-c]chromen-3-yl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dioxopyrano[3,2-c]chromen-3-yl)pyridine-3-carboxamide",NA,"C1=CC=C2C(=C1)C3=C(C=C(C(=O)O3)NC(=O)C4=CN=CC=C4)C(=O)O2","LAPPAYFJPFBKNZ-UHFFFAOYSA-N",392001,NA,"PDBC40878","691795","Present",NA,NA
+"40879","N-(2,5-Dioxopyrrol-1-yl)-2-[2-[(2,5-dioxopyrrol-1-yl)carbamoyl]anilino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,5-Dioxopyrrol-1-yl)-2-[2-[(2,5-dioxopyrrol-1-yl)carbamoyl]anilino]benzamide",NA,"C1=CC=C(C(=C1)C(=O)NN2C(=O)C=CC2=O)NC3=CC=CC=C3C(=O)NN4C(=O)C=CC4=O","UXSOGYFOCJVJNA-UHFFFAOYSA-N",394751,NA,"PDBC40879","698454","Present",NA,NA
+"40880","N-(2,6-DIMETHYLPHENYL)-3-PHENYLACRYLAMIDE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-DIMETHYLPHENYL)-3-PHENYLACRYLAMIDE",NA,"CC1=C(C(=CC=C1)C)NC(=O)C=CC2=CC=CC=C2","RGVUJGWQEVQKSO-VAWYXSNFSA-N",791813,NA,"PDBC40880","191387","Present",NA,NA
+"40881","N-(2,6-Dichloro-4-(hydroxy(oxido)amino)phenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dichloro-4-nitrophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=NC=C3)C(=O)C(=O)NC4=C(C=C(C=C4Cl)[N+](=O)[O-])Cl","KHVQTKNNPACEFM-UHFFFAOYSA-N",371550,NA,"PDBC40881","645879","Present",NA,NA
+"40882","N-(2,6-Dichloro-4-(hydroxy(oxido)amino)phenyl)-2-(4,6-dioxo-2-thioxohexahydro-5-pyrimidinyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dichloro-4-nitrophenyl)-2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)-2-oxoacetamide",NA,"C1=C(C=C(C(=C1Cl)NC(=O)C(=O)C2C(=O)NC(=S)NC2=O)Cl)[N+](=O)[O-]","VKYZUTWNVKMMBR-UHFFFAOYSA-N",3004368,NA,"PDBC40882","648629","Present",NA,NA
+"40883","N-(2,6-Dichloro-4-(hydroxy(oxido)amino)phenyl)-2-hydrazono-3-(hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(2,6-Dichloro-4-nitrophenyl)-2-hydrazinylidene-3-nitro-3-(7-nitroquinoxalin-2-yl)propanamide",NA,"C1=CC2=NC=C(N=C2C=C1[N+](=O)[O-])C(C(=NN)C(=O)NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]","HQVIEEROQCAVIJ-IWIPYMOSSA-N",9571283,NA,"PDBC40883","640970","Present",NA,NA
+"40884","N-(2,6-Dichloro-4-nitrophenyl)-3-nitro-2-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dichloro-4-nitro-phenyl)-3-nitro-2-oxo-3-(3-oxo-1H-isobenzofuran-1-yl)propanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C(=O)NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]","WKICHCKLCBACCD-UHFFFAOYSA-N",369443,NA,"PDBC40884","641213","Present",NA,NA
+"40885","N-(2,6-Dichlorophenyl)-2-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dichlorophenyl)-2-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide",NA,"CN(C1=C(C=CC=C1Cl)Cl)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","KCXXIBBVMJMFOP-UHFFFAOYSA-N",383166,NA,"PDBC40885","671279","Present",NA,NA
+"40886","N-(2,6-Dichlorophenyl)-2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dichlorophenyl)-2-methyl-2-((4-oxo-2-phenyl-4H-chromen-7-yl)oxy)propanamide",NA,"CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC3=C(C=C2)C(=O)C=C(O3)C4=CC=CC=C4","OMIUNFVAQHFVKB-UHFFFAOYSA-N",375240,NA,"PDBC40886","654629","Present",NA,NA
+"40887","N-(2,6-Dichlorophenyl)-2-methyl-2-(4-(3-oxo-3-phenyl-1-propenyl)phenoxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dichlorophenyl)-2-methyl-2-(4-(3-oxo-3-phenyl-1-propenyl)phenoxy)propanamide",NA,"CC(C)(C(=O)NC1=C(C=CC=C1Cl)Cl)OC2=CC=C(C=C2)C=CC(=O)C3=CC=CC=C3","FRDZQCMQNOCJBD-DTQAZKPQSA-N",5467517,NA,"PDBC40887","654631","Present",NA,NA
+"40888","N-(2,6-Dichlorophenyl)-3-((2-naphthylsulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dichlorophenyl)-3-((2-naphthylsulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,"C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NN3C=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)NC5=C(C=CC=C5Cl)Cl","MNMWSQRTWJKIHY-UHFFFAOYSA-N",390424,NA,"PDBC40888","687778","Present",NA,NA
+"40889","N-(2,6-Dichlorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dichlorophenyl)-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)NC3=C(C=CC=C3Cl)Cl","SWXWFSOEDYUFKA-UHFFFAOYSA-N",311401,NA,"PDBC40889","216633","Present",NA,NA
+"40890","N-(2,6-Diethylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Diethylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide",NA,"CCC1=C(C(=CC=C1)CC)NC(=O)CC2C(=O)N=C(S2)N","ZKUBGIMXJKINIO-UHFFFAOYSA-N",365370,NA,"PDBC40890","632956","Present",NA,NA
+"40891","N-(2,6-Difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Difluorophenyl)-N-(2-hydroxy-3-phenoxypropyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C=CC=C3F)F","YRSYXODRWQMJDA-UHFFFAOYSA-N",404080,NA,"PDBC40891","720201","Present",NA,NA
+"40892","N-(2,6-Diisopropylphenyl)-2-oxo-2-(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Diisopropylphenyl)-2-oxo-2-(4-oxo-2-thioxo-1,3-thiazolidin-5-yl)acetamide",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C2C(=O)NC(=S)S2","YRBVWJLJJHQCID-UHFFFAOYSA-N",3004315,NA,"PDBC40892","644738","Present",NA,NA
+"40893","N-(2,6-Diisopropylphenyl)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Diisopropylphenyl)-3-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxopropanamide",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O","JGMORPPRUGATOM-UHFFFAOYSA-N",372136,NA,"PDBC40893","647090","Present",NA,NA
+"40894","N-(2,6-Diisopropylphenyl)-4-(2-(2,6-dimethylanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Diisopropylphenyl)-4-(2-(2,6-dimethylanilino)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,"CC1=C(C(=CC=C1)C)NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C)C","YAQLRBUJXXOQHP-UHFFFAOYSA-N",376631,NA,"PDBC40894","657662","Present",NA,NA
+"40895","N-(2,6-Diisopropylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Diisopropylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","MIADHZXPFCQCKV-UHFFFAOYSA-N",369462,NA,"PDBC40895","641232","Present",NA,NA
+"40896","N-(2,6-Diisopropylphenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Diisopropylphenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C","ZXMYTRIECTZZHI-UHFFFAOYSA-N",364323,NA,"PDBC40896","630339","Present",NA,NA
+"40897","N-(2,6-Diisopropylphenyl)-4-hydrazino-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Diisopropylphenyl)-4-hydrazino-4-oxobutanamide",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CCC(=O)NN","BNXLXYARDFOKPG-UHFFFAOYSA-N",366938,NA,"PDBC40897","636101","Present",NA,NA
+"40898","N-(2,6-Diisopropylphenyl)-N'-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Diisopropylphenyl)-N'-phenylthiourea",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=S)NC2=CC=CC=C2","MVELWMJHOLQQFQ-UHFFFAOYSA-N",3004042,NA,"PDBC40898","624223","Present",NA,NA
+"40899","N-(2,6-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide",NA,"CC1CCCCC12N(C(=O)C(S2)C)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5","CNSZBMGIEYPERN-UHFFFAOYSA-N",24205425,NA,"PDBC40899","735519","Present",NA,NA
+"40900","N-(2,6-Dimethylphenyl)-2,4-dioxo-6-phenyl-5-hexenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-2,4-dioxo-6-phenyl-5-hexenamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)CC(=O)C=CC2=CC=CC=C2","FQVCPZHNWQFZFA-VAWYXSNFSA-N",5467219,NA,"PDBC40900","648623","Present",NA,NA
+"40901","N-(2,6-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N","RPHKOCZBRJWBHH-UHFFFAOYSA-N",364961,NA,"PDBC40901","631847","Present",NA,NA
+"40902","N-(2,6-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O","PWGKUSPCSXEVGN-UHFFFAOYSA-N",371574,NA,"PDBC40902","645902","Present",NA,NA
+"40903","N-(2,6-Dimethylphenyl)-3-(5-ethyl-1H-pyrazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-3-(5-ethyl-1H-pyrazol-3-yl)propanamide",NA,"CCC1=NNC(=C1)CCC(=O)NC2=C(C=CC=C2C)C","NCFXPDUAOWKQRD-UHFFFAOYSA-N",365138,NA,"PDBC40903","632239","Present",NA,NA
+"40904","N-(2,6-Dimethylphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCC2=NN=C(O2)SC","PQIMOGWVWLUGTR-UHFFFAOYSA-N",367614,NA,"PDBC40904","637446","Present",NA,NA
+"40905","N-(2,6-Dimethylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCC2=NC(=S)NN2","DBABNOPZKHHUST-UHFFFAOYSA-N",3004189,NA,"PDBC40905","635532","Present",NA,NA
+"40906","N-(2,6-Dimethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCC2=NNC(=S)O2","VMQMRUFAPLEUEQ-UHFFFAOYSA-N",3004204,NA,"PDBC40906","636104","Present",NA,NA
+"40907","N-(2,6-Dimethylphenyl)-4-(2-(4-hydroxy-2-naphthoyl)hydrazino)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-4-(2-(4-hydroxy-2-naphthoyl)hydrazino)-4-oxobutanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)NNC(=O)C2=CC3=CC=CC=C3C(=C2)O","GKHKOKFWBBNAJQ-UHFFFAOYSA-N",364282,NA,"PDBC40907","630300","Present",NA,NA
+"40908","N-(2,6-Dimethylphenyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,4-dioxobutanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)CC(=O)C2=CC(=CC=C2)[N+](=O)[O-]","PVBYZAKVTVJSOI-UHFFFAOYSA-N",361455,NA,"PDBC40908","624477","Present",NA,NA
+"40909","N-(2,6-Dimethylphenyl)-4-{2-[(2,6-dimethylphenyl)amino]-4-methyl-1,3-thiazol-5-yl}-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[2-(2,6-Dimethylanilino)-4-methyl-1,3-thiazol-5-yl]-N-(2,6-dimethylphenyl)-2,4-dioxobutanamide",NA,"CC1=C(C(=CC=C1)C)NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C)C)C","OLFHKUPTVNGLGB-UHFFFAOYSA-N",376613,NA,"PDBC40909","657644","Present",NA,NA
+"40910","N-(2,6-Dimethylphenyl)-5,7-dioxo-9-phenyl-8-nonenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-5,7-dioxo-9-phenyl-8-nonenamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)CC(=O)C=CC2=CC=CC=C2","ADZXVCZVHDHMDP-CCEZHUSRSA-N",5387551,NA,"PDBC40910","624466","Present",NA,NA
+"40911","N-(2,6-Dimethylphenyl)-5-(2,5-dioxocyclohexyl)-5-oxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-5-(2,5-dioxocyclohexyl)-5-oxopentanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C2CC(=O)CCC2=O","VHEILBCHMZBBPB-UHFFFAOYSA-N",361449,NA,"PDBC40911","624471","Present",NA,NA
+"40912","N-(2,6-Dimethylphenyl)-5-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-5-oxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-5-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-5-oxopentanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCCC(=O)C2CCCC2=NNC(=O)C(=O)NN","WYVUVYINWZFKOG-BUVRLJJBSA-N",6381305,NA,"PDBC40912","632034","Present",NA,NA
+"40913","N-(2,6-Dimethylphenyl)-5-ethyl-2-mercapto-6-propyl-1,2-dihydro-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-5-ethyl-2-mercapto-6-propyl-1,2-dihydro-4-pyrimidinecarboxamide",NA,"CCCC1=C(C(=NC(N1)S)C(=O)NC2=C(C=CC=C2C)C)CC","MLQHAAOMWSJADT-UHFFFAOYSA-N",361454,NA,"PDBC40913","624476","Present",NA,NA
+"40914","N-(2,6-Dimethylphenyl)-5-hydroxy-2,4-dioxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-5-hydroxy-2,4-dioxopentanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)CC(=O)CO","XLTCZSPQLPVGFT-UHFFFAOYSA-N",364960,NA,"PDBC40914","631846","Present",NA,NA
+"40915","N-(2,6-Dimethylphenyl)-6-((hydrazinocarbonyl)hydrazono)-4-oxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-6-((hydrazinocarbonyl)hydrazono)-4-oxooctanamide",NA,"CCC(=NNC(=O)NN)CC(=O)CCC(=O)NC1=C(C=CC=C1C)C","DNWSTEPLOQMOLJ-FYJGNVAPSA-N",5848273,NA,"PDBC40915","630371","Present",NA,NA
+"40916","N-(2,6-Dimethylphenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCCC(=NNC(=O)C(=O)NN)CC(=O)C2=CC=C(C=C2)F","YDUAWSZWERROOO-MTDXEUNCSA-N",5922954,NA,"PDBC40916","632022","Present",NA,NA
+"40917","N-(2,6-Dimethylphenyl)-7-methyl-4,6-dioxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-7-methyl-4,6-dioxooctanamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)CCC(=O)CC(=O)C(C)C","SCWNIIJBUDJKAJ-UHFFFAOYSA-N",365082,NA,"PDBC40917","632040","Present",NA,NA
+"40918","N-(2,6-Dimethylphenyl)-N'-(2-hydrazino-4-oxoquinazolin-3(4H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dimethylphenyl)-N'-(2-hydrazino-4-oxoquinazolin-3(4H)-yl)ethanediamide",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3N=C2NN","CNVUUCBZYYVNDS-UHFFFAOYSA-N",371991,NA,"PDBC40918","646806","Present",NA,NA
+"40919","N-(2,6-Dioxo-3-piperidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,6-Dioxo-3-piperidinyl)benzamide",NA,"C1CC(=O)NC(=O)C1NC(=O)C2=CC=CC=C2","QDCDITVKCKBZTO-UHFFFAOYSA-N",341427,NA,"PDBC40919","373535","Present",NA,NA
+"40920","N-(2,7-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,7-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide",NA,"CC1CCCC2(C1)N(C(=O)C(S2)C)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5","XJGLMRWTFIZFPX-UHFFFAOYSA-N",24205427,NA,"PDBC40920","735521","Present",NA,NA
+"40921","N-(2,8-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2,8-Dimethyl-3-oxo-1-thia-4-azaspiro[4.5]decan-4-yl)-5-methyl-3-phenyl-1H-indole-2-carboxamide",NA,"CC1CCC2(CC1)N(C(=O)C(S2)C)NC(=O)C3=C(C4=C(N3)C=CC(=C4)C)C5=CC=CC=C5","OWWDHOVZCCGTIR-UHFFFAOYSA-N",24205428,NA,"PDBC40921","735522","Present",NA,NA
+"40922","N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)leucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)leucine",NA,"CC(C)CC(C(=O)NC(CC(C)C)C(=O)O)NC(=O)N=NC1=CC=C(C=C1)OC","MJHUJOUZLYEWDE-UHFFFAOYSA-N",386435,NA,"PDBC40922","678403","Present",NA,NA
+"40923","N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)phenylalanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((((4-Methoxyphenyl)diazenyl)carbonyl)amino)-4-methylpentanoyl)phenylalanine",NA,"CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)N=NC2=CC=C(C=C2)OC","POOWYGANGFCAOK-UHFFFAOYSA-N",386436,NA,"PDBC40923","678404","Present",NA,NA
+"40924","N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)phenylalanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(((Benzyloxy)carbonyl)amino)-2-methylpropanoyl)phenylalanine",NA,"CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2","QVCSRZCETZPGOY-UHFFFAOYSA-N",382257,NA,"PDBC40924","669712","Present",NA,NA
+"40925","N-(2-((2,2-Dimethoxyethyl)(methyl)amino)-1-methyl-2-oxoethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((2,2-Dimethoxyethyl)(methyl)amino)-1-methyl-2-oxoethyl)benzamide",NA,"CC(C(=O)N(C)CC(OC)OC)NC(=O)C1=CC=CC=C1","FCCCZAMISCLZHU-UHFFFAOYSA-N",387025,NA,"PDBC40925","680345","Present",NA,NA
+"40926","N-(2-((2,2-Dimethoxyethyl)amino)-2-oxoethyl)-4-(trifluoromethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((2,2-Dimethoxyethyl)amino)-2-oxoethyl)-4-(trifluoromethyl)benzamide",NA,"COC(CNC(=O)CNC(=O)C1=CC=C(C=C1)C(F)(F)F)OC","JKPSXUFUZVVCQQ-UHFFFAOYSA-N",387026,NA,"PDBC40926","680346","Present",NA,NA
+"40927","N-(2-((2-((2,2-Dimethoxyethyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((2-((2,2-Dimethoxyethyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethyl)benzamide",NA,"CC(C(=O)NC(C)C(=O)NCC(OC)OC)NC(=O)C1=CC=CC=C1","HROVJYOWBWNZPQ-UHFFFAOYSA-N",387024,NA,"PDBC40927","680344","Present",NA,NA
+"40928","N-(2-((2-Acetyl-5-methyl-1-phenyl-3-pyrazolidinyl)amino)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((2-Acetyl-5-methyl-1-phenyl-3-pyrazolidinyl)amino)phenyl)acetamide",NA,"CC1CC(N(N1C2=CC=CC=C2)C(=O)C)NC3=CC=CC=C3NC(=O)C","HYCZSYWQTXISLX-UHFFFAOYSA-N",377020,NA,"PDBC40928","658238","Present",NA,NA
+"40929","N-(2-((2-Amino-1-methyl-2-oxoethyl)amino)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-5-oxo-2-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-[(1-Amino-1-oxopropan-2-yl)amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide",NA,"CC(C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)C2CCC(=O)N2","XIAONHZTACAXQL-UHFFFAOYSA-N",381829,NA,"PDBC40929","668902","Present",NA,NA
+"40930","N-(2-((2-Hydroxyethyl)amino)ethyl)-2-((3-nitrophenyl)methylene)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((2-Hydroxyethyl)amino)ethyl)-2-((3-nitrophenyl)methylene)hydrazinecarboxamide",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=NNC(=O)NCCNCCO","DCWLAUJJEKQIOH-OQLLNIDSSA-N",9554130,NA,"PDBC40930","656197","Present",NA,NA
+"40931","N-(2-((2-Hydroxyethyl)amino)ethyl)-2-((4-nitrophenyl)methylene)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((2-Hydroxyethyl)amino)ethyl)-2-((4-nitrophenyl)methylene)hydrazinecarboxamide",NA,"C1=CC(=CC=C1C=NNC(=O)NCCNCCO)[N+](=O)[O-]","AZXVYRDWKXSUMC-OQLLNIDSSA-N",9554131,NA,"PDBC40931","666461","Present",NA,NA
+"40932","N-(2-((2-Hydroxyethyl)amino)ethyl)-2-(phenylmethylene)hydrazinecarboxamide ethanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((2-Hydroxyethyl)amino)ethyl)-2-(phenylmethylene)hydrazinecarboxamide ethanedioate",NA,"C1=CC=C(C=C1)C=NNC(=O)NCCNCCO.C(=O)(C(=O)O)O","HOYULAVPNXYIAN-GYVLLFFHSA-N",9571797,NA,"PDBC40932","656195","Present",NA,NA
+"40933","N-(2-((3-(3,5-Dichloro-2,4,6-trimethylphenyl)-5-methyl-4-isoxazolyl)sulfonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((3-(3,5-Dichloro-2,4,6-trimethylphenyl)-5-methyl-4-isoxazolyl)sulfonyl)phenyl)acetamide",NA,"CC1=C(C(=C(C(=C1Cl)C)Cl)C)C2=NOC(=C2S(=O)(=O)C3=CC=CC=C3NC(=O)C)C","UXZCWSVCQYLGRO-UHFFFAOYSA-N",388900,NA,"PDBC40933","684131","Present",NA,NA
+"40934","N-(2-((9,10-Dioxo-4-((2-((2-pyrrolidinylcarbonyl)amino)ethyl)amino)-9,10-dihydro-1-anthracenyl)amino)ethyl)-2-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[[9,10-Dioxo-4-[2-(pyrrolidine-2-carbonylamino)ethylamino]anthracen-1-yl]amino]ethyl]pyrrolidine-2-carboxamide",NA,"C1CC(NC1)C(=O)NCCNC2=C3C(=C(C=C2)NCCNC(=O)C4CCCN4)C(=O)C5=CC=CC=C5C3=O","BKRUUJNVSXVUNH-UHFFFAOYSA-N",438926,NA,"PDBC40934","684442","Present",NA,NA
+"40935","N-(2-((Hydrazinocarbothioyl)(methyl)amino)ethyl)-N-methylhydrazinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((Hydrazinocarbothioyl)(methyl)amino)ethyl)-N-methylhydrazinecarbothioamide",NA,"CN(CCN(C)C(=S)NN)C(=S)NN","HTXOIMDPEVRNLK-UHFFFAOYSA-N",3005302,NA,"PDBC40935","689542","Present",NA,NA
+"40936","N-(2-((Tert-Butyl(dimethyl)silyl)oxy)ethyl)-4,4-diethoxy-2-(2-methyl-2-propenyl)-3-oxo-1-cyclobutene-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-4,4-diethoxy-2-(2-methylprop-2-enyl)-3-oxocyclobutene-1-carbothioamide",NA,"CCOC1(C(=C(C1=O)CC(=C)C)C(=S)NCCO[Si](C)(C)C(C)(C)C)OCC","CXTJAJDQXRSDNW-UHFFFAOYSA-N",3005406,NA,"PDBC40936","698085","Present",NA,NA
+"40937","N-(2-(1,3-Benzodioxol-5-yl)-1-methylethyl)-N,1-dimethyl-1,2,3,6-tetrahydro-4-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(1,3-Benzodioxol-5-yl)-1-methylethyl)-N,1-dimethyl-1,2,3,6-tetrahydro-4-pyridinecarboxamide",NA,"CC(CC1=CC2=C(C=C1)OCO2)N(C)C(=O)C3=CCN(CC3)C","VAUAWCMCYOOEPN-UHFFFAOYSA-N",388480,NA,"PDBC40937","683436","Present",NA,NA
+"40938","N-(2-(1,3-Benzothiazol-2-ylthio)ethyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(1,3-Benzothiazol-2-ylthio)ethyl)aniline",NA,"C1=CC=C(C=C1)NCCSC2=NC3=CC=CC=C3S2","BOQLVKIEUFJUMR-UHFFFAOYSA-N",273059,NA,"PDBC40938","117908","Present",NA,NA
+"40939","N-(2-(1-(1-Hydroxycyclohexyl)propyl)-4-oxo-3(4H)-quinazolinyl)-2,2-dimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(1-(1-Hydroxycyclohexyl)propyl)-4-oxo-3(4H)-quinazolinyl)-2,2-dimethylpropanamide",NA,"CCC(C1=NC2=CC=CC=C2C(=O)N1NC(=O)C(C)(C)C)C3(CCCCC3)O","GLPJJKCYLABBOL-UHFFFAOYSA-N",393574,NA,"PDBC40939","695644","Present",NA,NA
+"40940","N-(2-(1-Benzoyl-4-(hydroxy(oxido)amino)-4-piperidinyl)ethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(1-Benzoyl-4-(hydroxy(oxido)amino)-4-piperidinyl)ethyl)benzamide",NA,"C1CN(CCC1(CCNC(=O)C2=CC=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3","PCWSHUXPYJPZPP-UHFFFAOYSA-N",387088,NA,"PDBC40940","680479","Present",NA,NA
+"40941","N-(2-(1H-1,2,3-Benzotriazol-6-yl)ethyl)-N-(2-[1,1'-biphenyl]-4-ylethyl)-N-propylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(1H-1,2,3-Benzotriazol-6-yl)ethyl)-N-(2-[1,1'-biphenyl]-4-ylethyl)-1-propanamine",NA,"CCCN(CCC1=CC=C(C=C1)C2=CC=CC=C2)CCC3=CC4=NNN=C4C=C3","UFXQUNBIPIMHTJ-UHFFFAOYSA-N",395137,NA,"PDBC40941","699428","Present",NA,NA
+"40942","N-(2-(2,2-Di(1H-indol-3-yl)ethyl)phenyl)-3-phenyl-2-propynamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(2,2-Di(1H-indol-3-yl)ethyl)phenyl)-3-phenyl-2-propynamide",NA,"C1=CC=C(C=C1)C#CC(=O)NC2=CC=CC=C2CC(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65","GPUBFXAMLNUTNX-UHFFFAOYSA-N",370358,NA,"PDBC40942","643421","Present",NA,NA
+"40943","N-(2-(2-(4-Morpholinyl)-2-cyclopenten-1-ylidene)-3-phenyl-4-(phenylimino)-1,3-thiazolidin-5-ylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-2-(2-Morpholinocyclopent-2-en-1-ylidene)-N4,N5,3-triphenyl-thiazolidine-4,5-diimine",NA,"C1CC(=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5)C(=C1)N6CCOCC6","NCJVLFFKSDUQSL-VIUPQHNISA-N",3005095,NA,"PDBC40943","671370","Present",NA,NA
+"40944","N-(2-(2-Acetyl-6-methoxy-1H-indol-3-yl)ethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(2-Acetyl-6-methoxy-1H-indol-3-yl)ethyl)acetamide",NA,"CC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)CCNC(=O)C","WSFMBVMERJPLAV-UHFFFAOYSA-N",363625,NA,"PDBC40944","628654","Present",NA,NA
+"40945","N-(2-(2-Acetyl-7-(hydroxy(oxido)amino)-6-methoxy-1H-indol-3-yl)ethyl)-3-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(2-Acetyl-7-(hydroxy(oxido)amino)-6-methoxy-1H-indol-3-yl)ethyl)-3-phenylacrylamide",NA,"CC(=O)C1=C(C2=C(N1)C(=C(C=C2)OC)[N+](=O)[O-])CCNC(=O)C=CC3=CC=CC=C3","UCVMCGBMQOQNEJ-DHZHZOJOSA-N",5877508,NA,"PDBC40945","628655","Present",NA,NA
+"40946","N-(2-(2-Amino-6-hydroxy-7H-purin-7-yl)ethyl)-2-(2-methoxyethoxy)-N-(2-(2-oxo-4-(tritylamino)-1(2H)-pyrimidinyl)ethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Amino-6-oxo-1H-purin-7-yl)ethyl]-2-(2-methoxyethoxy)-N-[2-[2-oxo-4-(tritylamino)pyrimidin-1-yl]ethyl]acetamide",NA,"COCCOCC(=O)N(CCN1C=CC(=NC1=O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)CCN5C=NC6=C5C(=O)NC(=N6)N","BFRZYYLVGUFQOF-UHFFFAOYSA-N",135403406,NA,"PDBC40946","639798","Present",NA,NA
+"40947","N-(2-(2-Hydroxyphenyl)-1-(4-methyl-5-oxo-1,3-oxazolidin-2-yl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(2-Hydroxyphenyl)-1-(4-methyl-5-oxo-1,3-oxazolidin-2-yl)vinyl)benzamide",NA,"CC1C(=O)OC(N1)C(=CC2=CC=CC=C2O)NC(=O)C3=CC=CC=C3","JLJNCYCVSFKQGY-PTNGSMBKSA-N",6477565,NA,"PDBC40947","690947","Present",NA,NA
+"40948","N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)-2-nitro-1H-imidazole-1-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)-2-nitro-1H-imidazole-1-acetamide",NA,"CC1=NC=C(N1CCNC(=O)CN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","OLBKKJWKUWGTRS-UHFFFAOYSA-N",370831,NA,"PDBC40948","644497","Present",NA,NA
+"40949","N-(2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl)-2-nitro-1H-imidazole-1-propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Methyl-5-nitroimidazolyl)ethyl]-3-(2-nitroimidaz...",NA,"CC1=NC=C(N1CCNC(=O)CCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","VALXKZQMIDSFJS-UHFFFAOYSA-N",373387,NA,"PDBC40949","649614","Present",NA,NA
+"40950","N-(2-(3,4-Dichlorophenyl)-1-((hexadecylamino)carbonyl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(3,4-Dichlorophenyl)-1-((hexadecylamino)carbonyl)vinyl)benzamide",NA,"CCCCCCCCCCCCCCCCNC(=O)C(=CC1=CC(=C(C=C1)Cl)Cl)NC(=O)C2=CC=CC=C2","GAMFYXIJSUHSPR-QCWLDUFUSA-N",5880148,NA,"PDBC40950","659441","Present",NA,NA
+"40951","N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(2-(hydroxymethyl)-4,5-dimethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(3,4-Dimethoxyphenyl)ethyl)-2-(2-(hydroxymethyl)-4,5-dimethoxyphenyl)acetamide",NA,"COC1=C(C=C(C=C1)CCNC(=O)CC2=CC(=C(C=C2CO)OC)OC)OC","KAWHHEBEDVFXRV-UHFFFAOYSA-N",390030,NA,"PDBC40951","686945","Present",NA,NA
+"40952","N-(2-(3,4-Dimethoxyphenyl)ethyl)-3-(9H-fluoren-9-yl)-1-propanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(3,4-Dimethoxyphenyl)ethyl)-3-(9H-fluoren-9-yl)-1-propanamine",NA,"COC1=C(C=C(C=C1)CCNCCCC2C3=CC=CC=C3C4=CC=CC=C24)OC","YSRBMOPBDXEQTE-UHFFFAOYSA-N",372579,NA,"PDBC40952","647939","Present",NA,NA
+"40953","N-(2-(3,4-Dimethoxyphenyl)ethyl)-6-hydroxyhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(3,4-Dimethoxyphenyl)ethyl)-6-hydroxyhexanamide",NA,"COC1=C(C=C(C=C1)CCNC(=O)CCCCCO)OC","WDILLUHMYZHJGR-UHFFFAOYSA-N",390027,NA,"PDBC40953","686942","Present",NA,NA
+"40954","N-(2-(3,4-Dimethylbenzoyl)phenyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(3,4-dimethylbenzoyl)phenyl)-4-methylbenzenesulfona...",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(=O)C3=CC(=C(C=C3)C)C","CZHKNJDXPPNMFV-UHFFFAOYSA-N",266881,NA,"PDBC40954","105687","Present",NA,NA
+"40955","N-(2-(3,5-Bis(benzyloxy)phenyl)ethyl)-3-(3,5-dihydroxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(3,5-Bis(benzyloxy)phenyl)ethyl)-3-(3,5-dihydroxyphenyl)propanamide",NA,"C1=CC=C(C=C1)COC2=CC(=CC(=C2)CCNC(=O)CCC3=CC(=CC(=C3)O)O)OCC4=CC=CC=C4","NAYXDIASMIYIHE-UHFFFAOYSA-N",389924,NA,"PDBC40955","686577","Present",NA,NA
+"40956","N-(2-(3,5-Dimethoxyphenyl)-1-methylethyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(S)-(+)-N-1-(3,5-Dimethoxybenzyl)ethyl acetamide",NA,"CC(CC1=CC(=CC(=C1)OC)OC)NC(=O)C","RQZIRSLSSFYYPJ-UHFFFAOYSA-N",378442,NA,"PDBC40956","660981","Present",NA,NA
+"40957","N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(3-hydroxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(3-hydroxyphenyl)propanamide",NA,"C1=CC=C(C=C1)COC2=CC=CC(=C2)CCNC(=O)CCC3=CC(=CC=C3)O","GXQTVKZLCSLRAI-UHFFFAOYSA-N",387944,NA,"PDBC40957","682295","Present",NA,NA
+"40958","N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(4-hydroxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(3-(Benzyloxy)phenyl)ethyl)-3-(4-hydroxyphenyl)propanamide",NA,"C1=CC=C(C=C1)COC2=CC=CC(=C2)CCNC(=O)CCC3=CC=C(C=C3)O","KMMYIDWNZIISAV-UHFFFAOYSA-N",387942,NA,"PDBC40958","682293","Present",NA,NA
+"40959","N-(2-(3-Bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(3-Bromo-4-hydroxy-5-methoxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"COC1=C(C(=CC(=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl)Br)O","KYUYQEKFSYROPZ-UHFFFAOYSA-N",373557,NA,"PDBC40959","650010","Present",NA,NA
+"40960","N-(2-(3-Hydroxy-2-quinoxalinyl)phenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VU0507731-1",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C3=NC4=CC=CC=C4NC3=O","AFUQSDBRKCJRDV-UHFFFAOYSA-N",370373,NA,"PDBC40960","643438","Present",NA,NA
+"40961","N-(2-(4-(Acetylamino)phenyl)-1-(6,11-dioxo-6,11-dihydro-1H-anthra[1,2-d]imidazol-2-yl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-2-(4-Acetamidophenyl)-1-(6,11-dioxo-1H-naphtho[2,3-e]benzimidazol-2-yl)vinyl]benzamide",NA,"CC(=O)NC1=CC=C(C=C1)C=C(C2=NC3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)NC(=O)C6=CC=CC=C6","OQDKQQIJHWYULB-ONUIUJJFSA-N",135429950,NA,"PDBC40961","624432","Present",NA,NA
+"40962","N-(2-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-1-(hydrazinocarbonyl)vinyl)-3-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(4-(Bis(2-cyanoethyl)amino)-2-methylphenyl)-1-(hydrazinocarbonyl)vinyl)-3-phenylacrylamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)NN)NC(=O)C=CC2=CC=CC=C2","DSGUEBHTTQPPEI-MUXFZUAMSA-N",6477345,NA,"PDBC40962","645675","Present",NA,NA
+"40963","N-(2-(4-(Bis(2-cyanoethyl)amino)phenyl)-1-(((2-chloroanilino)carbonyl)amino)vinyl)-2-chloro-5-(hydroxy(oxido)amino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2-[4-[Bis(2-cyanoethyl)amino]phenyl]-1-[(2-chlorophenyl)carbamoylamino]ethenyl]-2-chloro-5-nitrobenzamide",NA,"C1=CC=C(C(=C1)NC(=O)NC(=CC2=CC=C(C=C2)N(CCC#N)CCC#N)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)Cl","VYECUOPKIHRPPK-YZSQISJMSA-N",6144008,NA,"PDBC40963","642580","Present",NA,NA
+"40964","N-(2-(4-(Bis(2-cyanoethyl)amino)phenyl)-1-(((3-methoxyanilino)carbonyl)amino)vinyl)-2-chloro-5-(hydroxy(oxido)amino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2-[4-[Bis(2-cyanoethyl)amino]phenyl]-1-[(3-methoxyphenyl)carbamoylamino]ethenyl]-2-chloro-5-nitrobenzamide",NA,"COC1=CC=CC(=C1)NC(=O)NC(=CC2=CC=C(C=C2)N(CCC#N)CCC#N)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","OBYSEJBEGKEUFC-WPWMEQJKSA-N",5925710,NA,"PDBC40964","642579","Present",NA,NA
+"40965","N-(2-(4-(Bis(2-cyanoethyl)amino)phenyl)-1-((4-methoxyanilino)carbonyl)vinyl)-2-chloro-5-(hydroxy(oxido)amino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-[4-[Bis(2-cyanoethyl)amino]phenyl]-3-(4-methoxyanilino)-3-oxoprop-1-en-2-yl]-2-chloro-5-nitrobenzamide",NA,"COC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)N(CCC#N)CCC#N)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","XXCJOKJQHIQDTH-IMRQLAEWSA-N",6477309,NA,"PDBC40965","642581","Present",NA,NA
+"40966","N-(2-(4-(Dimethylamino)phenyl)-1-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(4-(Dimethylamino)phenyl)-1-(4-methyl-5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)vinyl)benzamide",NA,"CN1C(=O)OC(=N1)C(=CC2=CC=C(C=C2)N(C)C)NC(=O)C3=CC=CC=C3","XKPDMGXQPGXNGX-LGMDPLHJSA-N",6477542,NA,"PDBC40966","686415","Present",NA,NA
+"40967","N-(2-(4-(Dimethylamino)phenyl)-1-(4-oxo-4H-3,1-benzoxazin-2-yl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(4-(Dimethylamino)phenyl)-1-(4-oxo-4H-3,1-benzoxazin-2-yl)vinyl)benzamide",NA,"CN(C)C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3C(=O)O2)NC(=O)C4=CC=CC=C4","MWSGCWVVOJTXNO-JWGURIENSA-N",6477536,NA,"PDBC40967","686408","Present",NA,NA
+"40968","N-(2-(4-(Dimethylamino)phenyl)-1-(9H-purin-8-yl)vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(4-(Dimethylamino)phenyl)-1-(9H-purin-8-yl)vinyl)benzamide",NA,"CN(C)C1=CC=C(C=C1)C=C(C2=NC3=NC=NC=C3N2)NC(=O)C4=CC=CC=C4","ZXQFQIDJLSHVFM-PDGQHHTCSA-N",5387518,NA,"PDBC40968","624421","Present",NA,NA
+"40969","N-(2-(4-Acetylpiperazin-1-yl)ethyl)-3-(3-chloro-5-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(4-acetylpiperazin-1-yl)ethyl)-3-(3-chloro-5-hydrox...",NA,"CC(=O)N1CCN(CC1)CCNC(=O)N2C=C(C(=N2)C3=CC(=CC(=C3)Cl)O)C4=CC=NC=C4","WAEUDCCYCKQSJD-UHFFFAOYSA-N",53483672,NA,"PDBC40969","753193","Present",NA,NA
+"40970","N-(2-(4-Methoxyphenyl)-4-oxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(4-Methoxyphenyl)-4-oxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)S2)NC(=O)CC4=CC=CC=C4","QAKQVRQOBWSRBV-JLPGSUDCSA-N",5467501,NA,"PDBC40970","653929","Present",NA,NA
+"40971","N-(2-(4-Morpholinyl)ethyl)-N,N'-diphenyl-4-morpholinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(4-Morpholinyl)ethyl)-N,N'-diphenyl-4-morpholinecarboximidamide",NA,"C1COCCN1CCN(C2=CC=CC=C2)C(=NC3=CC=CC=C3)N4CCOCC4","ZITQYWFRUCJWCD-UHFFFAOYSA-N",383079,NA,"PDBC40971","671123","Present",NA,NA
+"40972","N-(2-(5-(Hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)ethyl)-4-(3-(hydroxy(oxido)amino)-1H-1,2,4-triazol-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide",NA,"CC1=NC=C(N1CCNC(=O)CCCN2C=NC(=N2)[N+](=O)[O-])[N+](=O)[O-]","DALHZLDAUWFICN-UHFFFAOYSA-N",372717,NA,"PDBC40972","648277","Present",NA,NA
+"40973","N-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(5-Bromo-2-hydroxyphenyl)-3-chloro-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=C(C=CC(=C3)Br)O","KLEYOPKIZRULRG-UHFFFAOYSA-N",373559,NA,"PDBC40973","650012","Present",NA,NA
+"40974","N-(2-(6,7-Dimethyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)-2-oxoethyl)-N-(4-ethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(6,7-Dimethyl-3-oxo-3,4-dihydro-1(2H)-quinoxalinyl)-2-oxoethyl)-N-(4-ethoxyphenyl)acetamide",NA,"CCOC1=CC=C(C=C1)N(CC(=O)N2CC(=O)NC3=C2C=C(C(=C3)C)C)C(=O)C","BHOMENCYGJQALO-UHFFFAOYSA-N",374864,NA,"PDBC40974","653324","Present",NA,NA
+"40975","N-(2-(6,8-Dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hexopyranosylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665511///NSC665513",NA,"CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3NC4C(C(C(C(O4)CO)O)O)O","JQKUHJFIWBKHQF-UHFFFAOYSA-N",380113,NA,"PDBC40975","665511///665513","Present",NA,NA
+"40976","N-(2-(6,8-Dibromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)pentopyranosylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665515///Quinazolin-4(3H)-one, 6,8-dibromo-2-methyl- 3-[2-(D-xylo...",NA,"CC1=NC2=C(C=C(C=C2Br)Br)C(=O)N1C3=CC=CC=C3NC4C(C(C(CO4)O)O)O","GHFJZNGBIKFXKG-UHFFFAOYSA-N",380115,NA,"PDBC40976","665515///665517","Present",NA,NA
+"40977","N-(2-(9H-Fluoren-9-ylidenemethyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(9H-Fluoren-9-ylidenemethyl)phenyl)acetamide",NA,"CC(=O)NC1=CC=CC=C1C=C2C3=CC=CC=C3C4=CC=CC=C42","APEYSGYXVOGZJC-UHFFFAOYSA-N",255024,NA,"PDBC40977","80177","Present",NA,NA
+"40978","N-(2-(Acetoacetylanilino)ethyl)-3-oxo-N-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Acetoacetylanilino)ethyl)-3-oxo-N-phenylbutanamide",NA,"CC(=O)CC(=O)N(CCN(C1=CC=CC=C1)C(=O)CC(=O)C)C2=CC=CC=C2","UTRUAIUOIAUUBA-UHFFFAOYSA-N",367465,NA,"PDBC40978","637194","Present",NA,NA
+"40979","N-(2-(Acetylamino)-3-benzyl-5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Acetylamino)-3-benzyl-5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)acetamide",NA,"CC1C2CC(C1(C)C)C(C2(NC(=O)C)NC(=O)C)CC3=CC=CC=C3","MMQFPHQPQFVUIJ-UHFFFAOYSA-N",376016,NA,"PDBC40979","656396","Present",NA,NA
+"40980","N-(2-(Acetylamino)-8-(hydroxymethyl)-9H-purin-6-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Acetylamino)-8-(hydroxymethyl)-9H-purin-6-yl)acetamide",NA,"CC(=O)NC1=NC(=NC2=C1NC(=N2)CO)NC(=O)C","OKOXHVQQAPKSNO-UHFFFAOYSA-N",3246458,NA,"PDBC40980","132498","Present",NA,NA
+"40981","N-(2-(Aminosulfonyl)-4,5-dibromophenyl)-3,5-di-tert-butyl-4-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Aminosulfonyl)-4,5-dibromophenyl)-3,5-di-tert-butyl-4-hydroxybenzamide",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)NC2=CC(=C(C=C2S(=O)(=O)N)Br)Br","DKQCXNBOMPDQIK-UHFFFAOYSA-N",384360,NA,"PDBC40981","674068","Present",NA,NA
+"40982","N-(2-(Benzoylamino)-3-phenylacryloyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Benzoylamino)-3-phenylacryloyl)alanine",NA,"CC(C(=O)O)NC(=O)C(=CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2","YAKPNJNXBBFKBV-VBKFSLOCSA-N",5350499,NA,"PDBC40982","690957","Present",NA,NA
+"40983","N-(2-(Benzoylamino)-3-phenylacryloyl)glutamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Benzoylamino)-3-phenylacryloyl)glutamic acid",NA,"C1=CC=C(C=C1)C=C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C2=CC=CC=C2","DBEOVTZYUBKJJC-LGMDPLHJSA-N",5338234,NA,"PDBC40983","686421","Present",NA,NA
+"40984","N-(2-(Benzoylamino)-3-phenylacryloyl)tryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BIM-0015605.P001",NA,"C1=CC=C(C=C1)C=C(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)C4=CC=CC=C4","DTCGICIUPABHAN-HAHDFKILSA-N",5338236,NA,"PDBC40984","690955","Present",NA,NA
+"40985","N-(2-(Benzyloxy)-5-chloro-3-methoxyphenyl)-N-hydroxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Benzyloxy)-5-chloro-3-methoxyphenyl)-N-hydroxyacetamide",NA,"CC(=O)N(C1=C(C(=CC(=C1)Cl)OC)OCC2=CC=CC=C2)O","WEEUETMIMZXYHL-UHFFFAOYSA-N",374698,NA,"PDBC40985","652867","Present",NA,NA
+"40986","N-(2-(Bis(2-(((3-hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyridinyl)carbonyl)amino)ethyl)amino)ethyl)-1-hydroxy-6-oxo-1,6-dihydro-2-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Hydroxy-N-[2-[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl-[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-methyl-2-oxopyridine-4-carboxamide",NA,"CN1C=CC(=C(C1=O)O)C(=O)NCCN(CCNC(=O)C2=C(C(=O)N(C=C2)C)O)CCNC(=O)C3=CC=CC(=O)N3O","NLYFUWOQHIXLRH-UHFFFAOYSA-N",391973,NA,"PDBC40986","691695","Present",NA,NA
+"40987","N-(2-(Bis(2-(((3-hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyridinyl)carbonyl)amino)ethyl)amino)ethyl)-3-hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[Bis[2-[(3-hydroxy-1-methyl-2-oxopyridine-4-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide",NA,"CN1C=CC(=C(C1=O)O)C(=O)NCCN(CCNC(=O)C2=C(C(=O)N(C=C2)C)O)CCNC(=O)C3=C(C(=O)N(C=C3)C)O","LXPKFUINXTWKHP-UHFFFAOYSA-N",391971,NA,"PDBC40987","691693","Present",NA,NA
+"40988","N-(2-(Dibenzylamino)-1-methyl-2-oxoethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Dibenzylamino)-1-methyl-2-oxoethyl)benzamide",NA,"CC(C(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3","YJBOWEGUAVNHBC-UHFFFAOYSA-N",362240,NA,"PDBC40988","625844","Present",NA,NA
+"40989","N-(2-(Diethylamino)ethyl)-11-oxo-11H-imidazo(1,2-a)thiochromeno(2,3-e)pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11H-Benzothiopyrano[2',3':5,6]pyrido[1,2-a]imidazole- 2-...",NA,"CCN(CC)CCNC(=O)C1=CN2C(=N1)C=CC3=C2C(=O)C4=CC=CC=C4S3","NRWZCQQXDMICFD-UHFFFAOYSA-N",385057,NA,"PDBC40989","675986","Present",NA,NA
+"40990","N-(2-(Diethylamino)ethyl)-2-methoxy-4-nitrobenzamide monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Diethylamino)ethyl)-2-methoxy-4-nitrobenzamide monohydrochloride",NA,"CCN(CC)CCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OC.[Cl-]","JNMIIFCQCUVHIE-UHFFFAOYSA-M",3086205,NA,"PDBC40990","16657","Present",NA,NA
+"40991","N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-1-piperidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-1-piperidinecarboximidamide",NA,"CCN(CC)CCN(C1=CC=CC=C1)C(=NC2=CC=CC=C2)N3CCCCC3","LKPUWIZUBWPXIH-UHFFFAOYSA-N",383078,NA,"PDBC40991","671122","Present",NA,NA
+"40992","N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-4-morpholinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Diethylamino)ethyl)-N,N'-diphenyl-4-morpholinecarboximidamide",NA,"CCN(CC)CCN(C1=CC=CC=C1)C(=NC2=CC=CC=C2)N3CCOCC3","WYQMAWCVLYTLKL-UHFFFAOYSA-N",383080,NA,"PDBC40992","671124","Present",NA,NA
+"40993","N-(2-(Dimethylamino)ethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12H-Benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide, N-[2...",NA,"CN(C)CCNC(=O)C1=CC=CN2C1=NC3=CC4=CC=CC=C4C=C3C2=O","BXYDVWIAGDJBEC-UHFFFAOYSA-N",3508054,NA,"PDBC40993","751342","Present",NA,NA
+"40994","N-(2-(Dimethylamino)ethyl)-N,N'-diphenyl-1-pyrrolidinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Dimethylamino)ethyl)-N,N'-diphenyl-1-pyrrolidinecarboximidamide",NA,"CN(C)CCN(C1=CC=CC=C1)C(=NC2=CC=CC=C2)N3CCCC3","QHFSQIRRJRNTOT-UHFFFAOYSA-N",383075,NA,"PDBC40994","671119","Present",NA,NA
+"40995","N-(2-(Ethyl(3-phenyl-5-isoxazolyl)amino)phenyl)-N'-(3-(ethyl(3-phenyl-5-isoxazolyl)amino)phenyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-[Ethyl-(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]-3-[3-[ethyl-(3-phenyl-1,2-oxazol-5-yl)amino]phenyl]thiourea",NA,"CCN(C1=CC=CC(=C1)NC(=S)NC2=CC=CC=C2N(CC)C3=CC(=NO3)C4=CC=CC=C4)C5=CC(=NO5)C6=CC=CC=C6","SKVFPOKNSZXLFW-UHFFFAOYSA-N",3005110,NA,"PDBC40995","672307","Present",NA,NA
+"40996","N-(2-(Hydroxy(oxido)amino)-4-(trifluoromethyl)phenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Naphthalen-2-yl-N-[2-nitro-4-(trifluoromethyl)phenyl]-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=C(C=C5)C(F)(F)F)[N+](=O)[O-]","JVKNCBVJIVEUBW-UHFFFAOYSA-N",369461,NA,"PDBC40996","641231","Present",NA,NA
+"40997","N-(2-(Hydroxy(oxido)amino)-4-methoxyphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxy-2-nitro-phenyl)-2,4-dioxo-3-(3-oxo-1H-isobenzofuran-1-yl)-4-phenyl-butanamide",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4)[N+](=O)[O-]","CWRYDEDGPFDHLH-UHFFFAOYSA-N",370970,NA,"PDBC40997","644775","Present",NA,NA
+"40998","N-(2-(Hydroxy(oxido)amino)-4-methoxyphenyl)-2-(4-oxo-2-(2-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxy-2-nitrophenyl)-2-[2-(2-methylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]acetamide",NA,"CC1=CC=CC=C1N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)OC)[N+](=O)[O-]","PFLPSPSROBUMSR-UHFFFAOYSA-N",135429944,NA,"PDBC40998","623033","Present",NA,NA
+"40999","N-(2-(Hydroxy(oxido)amino)-4-methylphenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Hydroxy(oxido)amino)-4-methylphenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C2C(=O)NC(=S)N2)[N+](=O)[O-]","PXMHQJUCBBESNA-UHFFFAOYSA-N",3004334,NA,"PDBC40999","646361","Present",NA,NA
+"41000","N-(2-(Hydroxy(oxido)amino)phenyl)-3-(2-mercapto-6-phenyl-4-pyrimidinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(Hydroxy(oxido)amino)phenyl)-3-(2-mercapto-6-phenyl-4-pyrimidinyl)propanamide",NA,"C1=CC=C(C=C1)C2=NC(=S)NC(=C2)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]","ZPPCGHWBCNHAOO-UHFFFAOYSA-N",3004123,NA,"PDBC41000","630362","Present",NA,NA
+"41001","N-(2-(Hydroxy(oxido)amino)phenyl)-3-methyl-2-(((4-methylphenyl)sulfonyl)amino)-1-oxo-1,2-dihydro-7-isoquinolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Methyl-N-(2-nitrophenyl)-1-oxo-2-(p-tolylsulfonylamino)isoquinoline-7-sulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=CC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=CC=C4[N+](=O)[O-])C","VBOFASVFTIXMLJ-UHFFFAOYSA-N",390426,NA,"PDBC41001","687780","Present",NA,NA
+"41002","N-(2-(Methyl(2-(((2-phenyl-4-quinolinyl)carbonyl)amino)ethyl)amino)ethyl)-2-phenyl-4-quinolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline-4-carboxamide, N,N'-[(methylimino) bis(2,1-eth...",NA,"CN(CCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)CCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","LTQAJWGSUGQUPR-UHFFFAOYSA-N",384377,NA,"PDBC41002","674085","Present",NA,NA
+"41003","N-(2-(N-(2-Hydroxyethyl)carbamoyl)-4-iodophenyl)-2-thienylfo rmamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(N-(2-Hydroxyethyl)carbamoyl)-4-iodophenyl)-2-thien...",NA,"C1=CSC(=C1)C(=O)NC2=C(C=C(C=C2)I)C(=O)NCCO","KJGRHYVQOMGVCK-UHFFFAOYSA-N",404730,NA,"PDBC41003","721208","Present",NA,NA
+"41004","N-(2-(S)-Methyl-3(R)-hydroxy-4-methylpentanoyl)-4(R)-methoxy carbonyl-1,3-oxazolidine-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(S)-Methyl-3(R)-hydroxy-4-methylpentanoyl)-4(R)-met...",NA,"CC(C)C(C(C)C(=O)N1C(COC1=S)C(=O)OC)O","OMDGQNRQLWWZAX-DJLDLDEBSA-N",6711600,NA,"PDBC41004","632224","Present",NA,NA
+"41005","N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-1,3-thiazol-2-amine",NA,"CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=NC=CS3","NAOPKPXOCNQGOB-UHFFFAOYSA-N",377004,NA,"PDBC41005","658222","Present",NA,NA
+"41006","N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-2-methyl-5-quinolinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-2-methyl-5-quinolinamine",NA,"CC1=NC2=C(C=C1)C(=CC=C2)NC3CCN(N3C(=O)C)C4=CC=CC=C4","PWRMJQKBAQTMLS-UHFFFAOYSA-N",377017,NA,"PDBC41006","658235","Present",NA,NA
+"41007","N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-2-pyridinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-2-pyridinamine",NA,"CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=CC=CC=N3","BBKDCLRCANBYSO-UHFFFAOYSA-N",377003,NA,"PDBC41007","658221","Present",NA,NA
+"41008","N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-quinolinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Acetyl-1-phenyl-3-pyrazolidinyl)-3-quinolinamine",NA,"CC(=O)N1C(CCN1C2=CC=CC=C2)NC3=CC4=CC=CC=C4N=C3","LXANJGTUJXRVRZ-UHFFFAOYSA-N",377018,NA,"PDBC41008","658236","Present",NA,NA
+"41009","N-(2-Acetylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Acetylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-(2-phenylphenyl)butanamide",NA,"CC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5","JNGFOQBQKYDLNZ-UHFFFAOYSA-N",369822,NA,"PDBC41009","642017","Present",NA,NA
+"41010","N-(2-Acetylphenyl)-3-(((2-acetylphenyl)sulfonyl)amino)-2-methyl-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Acetylphenyl)-3-[(2-acetylphenyl)sulfonylamino]-2-methyl-4-oxoquinazoline-6-sulfonamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=CC=C3C(=O)C)C(=O)N1NS(=O)(=O)C4=CC=CC=C4C(=O)C","UDRKDFAGYMXHFV-UHFFFAOYSA-N",390428,NA,"PDBC41010","687782","Present",NA,NA
+"41011","N-(2-Acetylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Acetylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"CC(=O)C1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","AYQDPRIYZRUEIO-UHFFFAOYSA-N",369467,NA,"PDBC41011","641237","Present",NA,NA
+"41012","N-(2-Adamantyl)-2-((aminocarbothioyl)hydrazono)-4-oxodecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(2-adamantyl)-2-(carbamothioylhydrazono)-4-oxo-decanamide",NA,"CCCCCCC(=O)CC(=NNC(=S)N)C(=O)NC1C2CC3CC(C2)CC1C3","JLFKPJYXSJKGCP-MOHJPFBDSA-N",5913856,NA,"PDBC41012","632018","Present",NA,NA
+"41013","N-(2-Adamantyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Adamantyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,"C1C2CC3CC1CC(C2)C3NC(=O)C(=O)C4C(=NN(C4=O)C5=CC=CC=C5)N","DRJICFHBTSTXRC-UHFFFAOYSA-N",364927,NA,"PDBC41013","631813","Present",NA,NA
+"41014","N-(2-Adamantyl)-2-cyanoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Adamantyl)-2-cyanoacetamide",NA,"C1C2CC3CC1CC(C2)C3NC(=O)CC#N","FKXNHOSUDRFAFL-UHFFFAOYSA-N",367267,NA,"PDBC41014","636816","Present",NA,NA
+"41015","N-(2-Adamantyl)-2-mercapto-6-(2-phenylvinyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Adamantyl)-2-mercapto-6-(2-phenylvinyl)-4-pyrimidinecarboxamide",NA,"C1C2CC3CC1CC(C2)C3NC(=O)C4=NC(=S)NC(=C4)C=CC5=CC=CC=C5","NMSGLEGFZYMZBB-VOTSOKGWSA-N",5387552,NA,"PDBC41015","624472","Present",NA,NA
+"41016","N-(2-Adamantyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Adamantyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,"COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NC3C4CC5CC(C4)CC3C5","ITGBKVMWMJHAOX-UHFFFAOYSA-N",364963,NA,"PDBC41016","631849","Present",NA,NA
+"41017","N-(2-Adamantyl)-3-isobutyryl-2-oxoheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Adamantyl)-3-isobutyryl-2-oxoheptanamide",NA,"CCCCC(C(=O)C(C)C)C(=O)C(=O)NC1C2CC3CC(C2)CC1C3","XPCHNDLQEKKZFY-UHFFFAOYSA-N",364272,NA,"PDBC41017","630289","Present",NA,NA
+"41018","N-(2-Adamantyl)-4-(1-naphthyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Adamantyl)-4-(1-naphthyl)-2,4-dioxobutanamide",NA,"C1C2CC3CC1CC(C2)C3NC(=O)C(=O)CC(=O)C4=CC=CC5=CC=CC=C54","CBFVPSOIFIOFDS-UHFFFAOYSA-N",360360,NA,"PDBC41018","622418","Present",NA,NA
+"41019","N-(2-Adamantyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Adamantyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C(SC2=CC=CC=C2N1)C(=O)CC(=O)C(=O)NC3C4CC5CC(C4)CC3C5","IAYLXAZUBSDEJC-UHFFFAOYSA-N",366523,NA,"PDBC41019","635132","Present",NA,NA
+"41020","N-(2-Adamantyl)-4-hydrazino-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Adamantyl)-4-hydrazino-4-oxobutanamide",NA,"C1C2CC3CC1CC(C2)C3NC(=O)CCC(=O)NN","NRGLGDVZXVPMOJ-UHFFFAOYSA-N",362237,NA,"PDBC41020","625841","Present",NA,NA
+"41021","N-(2-Adamantyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Adamantyl)-4-pyrimidinecarboxamide",NA,"C1C2CC3CC1CC(C2)C3NC(=O)C4=NC=NC=C4","TYLGFTQXOGMHCT-UHFFFAOYSA-N",361453,NA,"PDBC41021","624475","Present",NA,NA
+"41022","N-(2-Adamantyl)-6-amino-2-mercapto-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Adamantyl)-6-amino-2-mercapto-4-pyrimidinecarboxamide",NA,"C1C2CC3CC1CC(C2)C3NC(=O)C4=CC(=NC(=S)N4)N","MXIQQRILRIJOAT-UHFFFAOYSA-N",3004054,NA,"PDBC41022","624469","Present",NA,NA
+"41023","N-(2-Amino-3-(5-hydroxy-2-pyridinyl)propanoyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Amino-3-(5-hydroxy-2-pyridinyl)propanoyl)alanine",NA,"CC(C(=O)O)NC(=O)C(CC1=NC=C(C=C1)O)N","JMPPBIHLLDHZDB-UHFFFAOYSA-N",385344,NA,"PDBC41023","676462","Present",NA,NA
+"41024","N-(2-Amino-phenyl)-4-(1-{[benzyl(methyl)amino]methyl}vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminophenyl)-4-[1-(methylbenzylamine-4-ylmethyl)vinyl]b enzamide",NA,"CN(CC1=CC=CC=C1)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N","KGKIJZLKEXXQMR-UHFFFAOYSA-N",11588795,NA,"PDBC41024","729998","Present",NA,NA
+"41025","N-(2-Amino-phenyl)-4-[1-(6-oxo-6H-phenanthridin-5-ylmethyl)-vinyl]-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Amino-phenyl)-4-[1-(6-oxo-6H-phenanthridin-5-ylmethyl)-vinyl]-benzamide",NA,"C=C(CN1C2=CC=CC=C2C3=CC=CC=C3C1=O)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","SNODZTYLEVBTTQ-UHFFFAOYSA-N",11719256,NA,"PDBC41025","735408","Present",NA,NA
+"41026","N-(2-Amino-phenyl)-4-{1-[4-(2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Amino-phenyl)-4-{1-[4-(2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide",NA,"C=C(CN1CCN(CC1)C2=CC=CC=C2F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","KRYHMGNCIHZKPA-UHFFFAOYSA-N",11640567,NA,"PDBC41026","735406","Present",NA,NA
+"41027","N-(2-Amino-phenyl)-4-{1-[4-(2-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Amino-phenyl)-4-{1-[4-(2-trifluoromethylphenyl)-pip...",NA,"C=C(CN1CCN(CC1)C2=CC=CC=C2C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","DUMBIPFGGCKNNC-UHFFFAOYSA-N",45027918,NA,"PDBC41027","740121","Present",NA,NA
+"41028","N-(2-Amino-phenyl)-4-{1-[4-(3,5-bis-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Amino-phenyl)-4-{1-[4-(3,5-bis-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide",NA,"C=C(CN1CCN(CC1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","VVRQPEBOABQSGA-UHFFFAOYSA-N",11534053,NA,"PDBC41028","735403","Present",NA,NA
+"41029","N-(2-Amino-phenyl)-4-{1-[4-(3-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Amino-phenyl)-4-{1-[4-(3-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide",NA,"C=C(CN1CCN(CC1)C2=CC(=CC=C2)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","RHPJERGEAGJTDM-UHFFFAOYSA-N",11704671,NA,"PDBC41029","735407","Present",NA,NA
+"41030","N-(2-Amino-phenyl)-4-{1-[4-(4-chloro-2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Amino-phenyl)-4-{1-[4-(4-chloro-2-fluorophenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide",NA,"C=C(CN1CCN(CC1)C2=C(C=C(C=C2)Cl)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","ATBQIQJSNGYLAO-UHFFFAOYSA-N",11511007,NA,"PDBC41030","735404","Present",NA,NA
+"41031","N-(2-Amino-phenyl)-4-{1-[4-(4-trifluoromethylphenyl)-piperazin-1-ylmethyl]-vinyl}-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Amino-phenyl)-4-{1-[4-(4-trifluoromethylphenyl)-pip...",NA,"C=C(CN1CCN(CC1)C2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","YAHMKOUMKSVLOM-UHFFFAOYSA-N",45027919,NA,"PDBC41031","740122","Present",NA,NA
+"41032","N-(2-Aminoethyl)-3-[(3,5-ditert-butylbenzoyl)amino]naphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminoethyl)-3-(3,5-di-tert-butylbenzamido)-2-naphth...",NA,"CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC3=CC=CC=C3C=C2C(=O)NCCN)C(C)(C)C","SNTBMUDEPYEWBA-UHFFFAOYSA-N",134151794,NA,"PDBC41032","783191","Present",NA,NA
+"41033","N-(2-Aminoethyl)-4-methyl-N-(8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminoethyl)-4-methyl-N-(8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CCN)C2=CC3=C4C5C6=C(C=CC=C6OC4=C2)OC7=C5C(=CC=C7)O3","BUGVTHSRUAINBM-UHFFFAOYSA-N",393368,NA,"PDBC41033","695176","Present",NA,NA
+"41034","N-(2-Aminoethyl)-N',N''-diphenylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminoethyl)-N',N''-diphenylguanidine",NA,"C1=CC=C(C=C1)NC(=NCCN)NC2=CC=CC=C2","SIRSVYUHMGUHPK-UHFFFAOYSA-N",383081,NA,"PDBC41034","671125","Present",NA,NA
+"41035","N-(2-Aminoethyl)acridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminoethyl)acridine-4-carboxamide;hydrochloride",NA,"C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCN.Cl","UHKZPVDBOHAPNJ-UHFFFAOYSA-N",358141,NA,"PDBC41035","617971","Present",NA,NA
+"41036","N-(2-Aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminophenyl)-3-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]propanamide",NA,"C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)CCC(=O)NC4=CC=CC=C4N","HHPCBQRXTLXFJC-UHFFFAOYSA-N",11675955,NA,"PDBC41036","733253","Present",NA,NA
+"41037","N-(2-Aminophenyl)-4-(1-{[4-(2-methoxyphenyl)piperazin-1-yl]m ethyl}vinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminophenyl)-4-(1-{[4-(2-methoxyphenyl)piperazin-1-yl]m ethyl}vinyl)benzamide",NA,"COC1=CC=CC=C1N2CCN(CC2)CC(=C)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","AEBYMKMBNUABEF-UHFFFAOYSA-N",11719179,NA,"PDBC41037","730004","Present",NA,NA
+"41038","N-(2-Aminophenyl)-4-(3-benzamidoprop-1-en-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminophenyl)-4-(3-benzamidoprop-1-en-2-yl)benzamide",NA,"C=C(CNC(=O)C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N","NHODPVPENYYXMI-UHFFFAOYSA-N",11494465,NA,"PDBC41038","733255","Present",NA,NA
+"41039","N-(2-Aminophenyl)-4-(3-phenothiazin-10-ylprop-1-en-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminophenyl)-4-(3-phenothiazin-10-ylprop-1-en-2-yl)benzamide",NA,"C=C(CN1C2=CC=CC=C2SC3=CC=CC=C31)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","WBUBSTOUMGJZTF-UHFFFAOYSA-N",24205528,NA,"PDBC41039","736101","Present",NA,NA
+"41040","N-(2-Aminophenyl)-4-[1-(1,3,4,9-tetrahydro-2H-beta-carbolin-2-ylmethyl)vinyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminophenyl)-4-[1-(1,3,4,5-tetrahydro-2H-indeno[1,2-c] pyridin-2-ylmethyl)vinyl]benzamide",NA,"C=C(CN1CCC2=C(C1)NC3=CC=CC=C23)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","YSQCHDWGPQOLNP-UHFFFAOYSA-N",11589884,NA,"PDBC41040","730001","Present",NA,NA
+"41041","N-(2-Aminophenyl)-4-[1-(3,4-dihydroisoquinolin-2(1H)-ylmethy l)vinyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminophenyl)-4-[1-(3,4-dihydroisoquinolin-2(1H)-ylmethy l)vinyl]benzamide",NA,"C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","PYYDVQPOSYCSSO-UHFFFAOYSA-N",11682437,NA,"PDBC41041","730000","Present",NA,NA
+"41042","N-(2-Aminophenyl)-4-[1-({4-[3-(trifluoromethyl)phenyl]pipera zin-1-yl}methyl)viny l]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminophenyl)-4-[1-({4-[3-(trifluoromethyl)phenyl]pipera zin-1-yl}methyl)viny l]benzamide",NA,"C=C(CN1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","YETXDBRNKDIOQO-UHFFFAOYSA-N",11605406,NA,"PDBC41042","730003","Present",NA,NA
+"41043","N-(2-Aminophenyl)-4-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)prop-1-en-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminophenyl)-4-[3-(3-methyl-2,5-dioxoimidazolidin-1-yl)prop-1-en-2-yl]benzamide",NA,"CN1CC(=O)N(C1=O)CC(=C)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N","IANVHDRKFUOXKU-UHFFFAOYSA-N",11682081,NA,"PDBC41043","736099","Present",NA,NA
+"41044","N-(2-Aminophenyl)-4-[3-[(4-phenylphenyl)carbamoylamino]prop-1-en-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminophenyl)-4-[3-[(4-phenylphenyl)carbamoylamino]prop-1-en-2-yl]benzamide",NA,"C=C(CNC(=O)NC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","JIVKJDJHWCNIOS-UHFFFAOYSA-N",24205284,NA,"PDBC41044","734947","Present",NA,NA
+"41045","N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide",NA,"C=C(CN1CCN(CC1)C2=CC=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","NWGZGNSMOKNZNW-UHFFFAOYSA-N",45028413,NA,"PDBC41045","742611","Present",NA,NA
+"41046","N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzamide;hydrochloride",NA,"C=C(CN1CCN(CC1)C2=CC=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N.Cl","YKGDUTPHXZCJDU-UHFFFAOYSA-N",45028828,NA,"PDBC41046","744536","Present",NA,NA
+"41047","N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzenecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Aminophenyl)-4-[3-[4-[6-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]prop-1-en-2-yl]benzenecarbothioamide",NA,"C=C(CN1CCN(CC1)C2=CC=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)C(=S)NC4=CC=CC=C4N","ADPRHHKGPIPUJB-UHFFFAOYSA-N",45028414,NA,"PDBC41047","742612","Present",NA,NA
+"41048","N-(2-Aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide",NA,"C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)CCCC(=O)NC4=CC=CC=C4N","NHPGSZALINOFGE-UHFFFAOYSA-N",24205285,NA,"PDBC41048","734948","Present",NA,NA
+"41049","N-(2-Aminophenyl)-4-{1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]vinyl}benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminophenyl)-4-{1-[(4-pyridin-2-ylpiperazin-1-yl)methyl ]vinyl}benzamide",NA,"C=C(CN1CCN(CC1)C2=CC=CC=N2)C3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","XHKXHRHDEKHOBA-UHFFFAOYSA-N",11711325,NA,"PDBC41049","729999","Present",NA,NA
+"41050","N-(2-Aminophenyl)-4-{1-[(benzylamino)methyl]vinyl}benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminophenyl)-4-{1-[(benzylamino)methyl]vinyl}benzamide",NA,"C=C(CNCC1=CC=CC=C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3N","YTUXOVDFKUAGIW-UHFFFAOYSA-N",11588476,NA,"PDBC41050","730002","Present",NA,NA
+"41051","N-(2-Anthryl)-2-hydroxy-1,5,7-trimethyl-4-oxo-3-azabicyclo[3.3.1]nonane-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Anthryl)-2-hydroxy-1,5,7-trimethyl-4-oxo-3-azabicyclo[3.3.1]nonane-7-carboxamide",NA,"CC12CC(CC(C1)(C)C(=O)NC3=CC4=CC5=CC=CC=C5C=C4C=C3)(C(=O)NC2O)C","UCAIIDSEJYRYBB-UHFFFAOYSA-N",361786,NA,"PDBC41051","625053","Present",NA,NA
+"41052","N-(2-Anthryl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Anthracen-2-yl-8-chloro-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,"C1=CC=C2C=C3C=C(C=CC3=CC2=C1)NC(=O)C4=CC5=C(C=C4Cl)SC6=NC=CN6S5(=O)=O","PZVCFNYDKQQTKZ-UHFFFAOYSA-N",403255,NA,"PDBC41052","717956","Present",NA,NA
+"41053","N-(2-Benzylsulfanylethyl)-N',N'-bis[2-(2-benzylsulfanylethylamino)ethyl]ethane-1,2-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Benzylsulfanylethyl)-N',N'-bis[2-(2-benzylsulfanylethylamino)ethyl]ethane-1,2-diamine;hydrochloride",NA,"C1=CC=C(C=C1)CSCCNCCN(CCNCCSCC2=CC=CC=C2)CCNCCSCC3=CC=CC=C3.Cl","QXAOVRFEEYDQBA-UHFFFAOYSA-N",24205027,NA,"PDBC41053","734002","Present",NA,NA
+"41054","N-(2-Bromo-4,5-dimethoxybenzylidene)-6,7-dimethoxy-1-naphthalenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Bromo-4,5-dimethoxybenzylidene)-6,7-dimethoxy-1-naphthalenamine",NA,"COC1=C(C=C2C(=C1)C=CC=C2N=CC3=CC(=C(C=C3Br)OC)OC)OC","RIPSKRZMPZREBA-UHFFFAOYSA-N",371233,NA,"PDBC41054","645292","Present",NA,NA
+"41055","N-(2-Bromophenyl)-2,2-dimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z27784720",NA,"CC(C)(C)C(=O)NC1=CC=CC=C1Br","KVXJJCVTWLZHOX-UHFFFAOYSA-N",357675,NA,"PDBC41055","617192","Present",NA,NA
+"41056","N-(2-Bromophenyl)-4-tert-butyl-2-methylsulfanyl-N-(2-trimethylsilylethoxymethyl)cyclohexene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Bromophenyl)-4-tert-butyl-2-methylsulfanyl-N-(2-trimethylsilylethoxymethyl)cyclohexene-1-carboxamide",NA,"CC(C)(C)C1CCC(=C(C1)SC)C(=O)N(COCC[Si](C)(C)C)C2=CC=CC=C2Br","YZVVWJYTLUMPIL-UHFFFAOYSA-N",394583,NA,"PDBC41056","698163","Present",NA,NA
+"41057","N-(2-Bromopropanoyl)serine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC163122",NA,"CC(C(=O)NC(CO)C(=O)O)Br","FZCUZRSQHFPZKG-UHFFFAOYSA-N",259562,NA,"PDBC41057","163122","Present",NA,NA
+"41058","N-(2-Chloro-3-methylphenyl)-2-cyanoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chloro-3-methylphenyl)-2-cyanoacetamide",NA,"CC1=C(C(=CC=C1)NC(=O)CC#N)Cl","AUDYGHUIHVICCD-UHFFFAOYSA-N",358524,NA,"PDBC41058","618532","Present",NA,NA
+"41059","N-(2-Chloro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chloro-3-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine",NA,"CC1=C(C(=CC=C1)NC2=NCCO2)Cl","AOTHJODWXAVQHV-UHFFFAOYSA-N",379528,NA,"PDBC41059","664191","Present",NA,NA
+"41060","N-(2-Chloro-3-methylphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chloro-3-methylphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"CC1=C(C(=CC=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F)Cl","BGJBHTHGPDOCEB-UHFFFAOYSA-N",369250,NA,"PDBC41060","640981","Present",NA,NA
+"41061","N-(2-Chloro-4-(3-chloro-4-(((2,5-dioxo-4-imidazolidinyl)(oxo)acetyl)amino)-5-ethylbenzyl)-6-ethylphenyl)-2-(2,5-dioxo-4-imidazolidinyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Chloro-4-[[3-chloro-4-[[2-(2,5-dioxoimidazolidin-4-yl)-2-oxoacetyl]amino]-5-ethylphenyl]methyl]-6-ethylphenyl]-2-(2,5-dioxoimidazolidin-4-yl)-2-oxoacetamide",NA,"CCC1=C(C(=CC(=C1)CC2=CC(=C(C(=C2)Cl)NC(=O)C(=O)C3C(=O)NC(=O)N3)CC)Cl)NC(=O)C(=O)C4C(=O)NC(=O)N4","WRTFESHREWUTSL-UHFFFAOYSA-N",371969,NA,"PDBC41061","646785","Present",NA,NA
+"41062","N-(2-Chloro-5-(trifluoromethyl)phenyl)-3-((4,4-dimethyl-2,6-dioxocyclohexyl)methyl)-4-(2-furyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Chloro-5-(trifluoromethyl)phenyl]-3-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-4-(furan-2-yl)-2,4-dioxobutanamide",NA,"CC1(CC(=O)C(C(=O)C1)CC(C(=O)C2=CC=CO2)C(=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C","PAIPWKGPSVKMPM-UHFFFAOYSA-N",373368,NA,"PDBC41062","649583","Present",NA,NA
+"41063","N-(2-Chloro-5-(trifluoromethyl)phenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Chloro-5-(trifluoromethyl)phenyl]-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C=CC(=C5)C(F)(F)F)Cl","OEYWCRGGCROSDB-UHFFFAOYSA-N",369469,NA,"PDBC41063","641239","Present",NA,NA
+"41064","N-(2-Chloro-5-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chloro-5-methylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide",NA,"CC1=CC(=C(C=C1)Cl)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=NC=C4","UJIZTXYLKSOPLS-UHFFFAOYSA-N",371548,NA,"PDBC41064","645877","Present",NA,NA
+"41065","N-(2-Chloro-5-nitrobenzyl)-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-chloro-5-nitrobenzyl)-9-(tetrahydro-2H-pyran-2-yl)-...",NA,"C1CCOC(C1)N2C=NC3=C(N=CN=C32)NCC4=C(C=CC(=C4)[N+](=O)[O-])Cl","HWSODBLPHNBIID-UHFFFAOYSA-N",286564,NA,"PDBC41065","145031","Present",NA,NA
+"41066","N-(2-Chloro-5-nitrobenzylidene)adamantan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chloro-5-nitrobenzylidene)adamantan-1-amine",NA,"C1C2CC3CC1CC(C2)(C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])Cl","VYVZNHKDOVCPCD-UHFFFAOYSA-N",378760,NA,"PDBC41066","661916","Present",NA,NA
+"41067","N-(2-Chloro-6,7-dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chloro-6,7-dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)NS(=O)(=O)C3=CC4=CC=CC=C4S3)OC","UZJPZXJCKRHQHE-UHFFFAOYSA-N",396722,NA,"PDBC41067","703331","Present",NA,NA
+"41068","N-(2-Chloro-6-methylphenyl)-2-hydroxy-3-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Chloro-3-nitro-o-salicylotoluidide",NA,"CC1=C(C(=CC=C1)Cl)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","YSONDVUDUHZIBU-UHFFFAOYSA-N",255921,NA,"PDBC41068","82024","Present",NA,NA
+"41069","N-(2-Chlorobenzoyl)-3-hydrazino-N-(4-methylphenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorobenzoyl)-3-hydrazino-N-(4-methylphenyl)-3-oxopropanamide",NA,"CC1=CC=C(C=C1)N(C(=O)CC(=O)NN)C(=O)C2=CC=CC=C2Cl","WSMFPBFKZPOQBI-UHFFFAOYSA-N",370455,NA,"PDBC41069","643586","Present",NA,NA
+"41070","N-(2-Chlorobenzylidene)-6,7-dimethoxy-1-naphthalenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorobenzylidene)-6,7-dimethoxy-1-naphthalenamine",NA,"COC1=C(C=C2C(=C1)C=CC=C2N=CC3=CC=CC=C3Cl)OC","GPUSOEYWAIAOJY-UHFFFAOYSA-N",371247,NA,"PDBC41070","645304","Present",NA,NA
+"41071","N-(2-Chloroethyl)-N',N'-bis(methylsulfonyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-phenylsulfonyl-2,2-methylsufonyl-1-(2-chloroethyl)hydr...",NA,"CS(=O)(=O)N(N(CCCl)S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C","DMBGYTIUBONXGR-UHFFFAOYSA-N",370861,NA,"PDBC41071","644584","Present",NA,NA
+"41072","N-(2-Chloroethyl)-N'-(2-methyltriazolo[4,5-f]quinolin-9-yl)ethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chloroethyl)-N'-(2-methyltriazolo[4,5-f]quinolin-9-yl)ethane-1,2-diamine",NA,"CN1N=C2C=CC3=NC=CC(=C3C2=N1)NCCNCCCl","FBWBJXMBMWSEFU-UHFFFAOYSA-N",374504,NA,"PDBC41072","652255","Present",NA,NA
+"41073","N-(2-Chloroethyl)-N'-(3-pyridinyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J-502985",NA,"C1=CC(=CN=C1)NC(=O)NCCCl","GHKZUTAGOUFZGD-UHFFFAOYSA-N",256330,NA,"PDBC41073","83110","Present",NA,NA
+"41074","N-(2-Chloroethyl)-N'-(5-imino-2,5-dihydro-1H-tetraazol-1-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chloroethyl)-N'-(5-imino-2,5-dihydro-1H-tetraazol-1-yl)urea",NA,"C(CCl)NC(=O)NN1C(=NN=N1)N","QRYOFHJRKDJEON-UHFFFAOYSA-N",377673,NA,"PDBC41074","659253","Present",NA,NA
+"41075","N-(2-Chloroethyl)-N'-hydroxyurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Chloroethyl)-3-hydroxyurea",NA,"C(CCl)NC(=O)NO","XKXDQMSUTPUOON-UHFFFAOYSA-N",388217,NA,"PDBC41075","682811","Present",NA,NA
+"41076","N-(2-Chloroethyl)-N-methyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chloroethyl)-N-methyl-4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline;hydrochloride",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N(C)CCCl.Cl","KKZSKPJAIAMACV-UHFFFAOYSA-N",384807,NA,"PDBC41076","675256","Present",NA,NA
+"41077","N-(2-Chloroethyl)-N-nitroso-N'-(3-pyridinylmethyl)urea N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, N-(2-chloroethyl)-N-nitroso-N'-(3-pyridinylmethyl)...",NA,"C1=CC(=C[N+](=C1)[O-])CNC(=O)N(CCCl)N=O","AHRARYLCXQHBBJ-UHFFFAOYSA-N",125819,NA,"PDBC41077","307454","Present",NA,NA
+"41078","N-(2-Chlorophenyl)-2-((triisopropylsilyl)oxy)-1-cycloheptene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-2-((triisopropylsilyl)oxy)-1-cycloheptene-1-carboxamide",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCCCC1)C(=O)NC2=CC=CC=C2Cl","PTOFASSHHGOKGZ-UHFFFAOYSA-N",395115,NA,"PDBC41078","699405","Present",NA,NA
+"41079","N-(2-Chlorophenyl)-2-[2-(3-methylanilino)-4-oxo-1,3-thiazol-5-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,"CC1=CC(=CC=C1)N=C2NC(=O)C(S2)CC(=O)NC3=CC=CC=C3Cl","ZMVIRHNZQDMDOK-UHFFFAOYSA-N",135456412,NA,"PDBC41079","634478","Present",NA,NA
+"41080","N-(2-Chlorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(2-chlorophenyl)-1H...",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)NC3=CC=CC=C3Cl)C=CC4=CC(=C(C=C4)O)OC)O","AAADJKPSAGHJNF-MKICQXMISA-N",155811395,NA,"PDBC41080","763372","Present",NA,NA
+"41081","N-(2-Chlorophenyl)-3-(4-((2-chlorophenyl)diazenyl)-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-3-[4-[(2-chlorophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanamide",NA,"C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=CC=C3Cl)C(=O)CC(=O)NC4=CC=CC=C4Cl","NBGWYLQFBQVKMH-UHFFFAOYSA-N",370002,NA,"PDBC41081","642566","Present",NA,NA
+"41082","N-(2-Chlorophenyl)-3-(4-((2-ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-3-[4-[(2-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide",NA,"CCOC1=CC=CC=C1N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=CC=C3Cl)C","OOHFEHOTRHKUTO-UHFFFAOYSA-N",386798,NA,"PDBC41082","679506","Present",NA,NA
+"41083","N-(2-Chlorophenyl)-3-(4-((2-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-3-(4-((2-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"COC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5","KUUOOOAYGCWPJU-UHFFFAOYSA-N",369130,NA,"PDBC41083","640678","Present",NA,NA
+"41084","N-(2-Chlorophenyl)-3-(4-((4-ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-3-(4-((4-ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"CCOC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5","NGNIXKXUARQBOI-UHFFFAOYSA-N",372602,NA,"PDBC41084","647963","Present",NA,NA
+"41085","N-(2-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"COC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=CC=C4Cl)C5=CC=CC=C5","QDRBXJXNJOWHIG-UHFFFAOYSA-N",369132,NA,"PDBC41085","640680","Present",NA,NA
+"41086","N-(2-Chlorophenyl)-3-hydrazinyl-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK498210",NA,"C1=CC=C(C(=C1)NC(=O)CC(=O)NN)Cl","JCEOTIGGJKOJRB-UHFFFAOYSA-N",385911,NA,"PDBC41086","677373","Present",NA,NA
+"41087","N-(2-Chlorophenyl)-3-imino-1-methyl-6-(methylthio)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-3-imino-1-methyl-6-(methylthio)-2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,"CN1C2=NC(=NC(=C2C(=N1)N)NC3=CC=CC=C3Cl)SC","YLINFAJAHAYOJI-UHFFFAOYSA-N",394389,NA,"PDBC41087","697789","Present",NA,NA
+"41088","N-(2-Chlorophenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,"C1C(N(N=C1N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)CC(=O)NC5=CC=CC=C5Cl)C6=CC=CC=C6","MQZBGWBGBNRQDE-UHFFFAOYSA-N",389697,NA,"PDBC41088","686241","Present",NA,NA
+"41089","N-(2-Chlorophenyl)-3-{4-[(E)-(4-chlorophenyl)diazenyl]-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-3-[4-[(4-chlorophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanamide",NA,"C1=CC=C(C=C1)C2=NN(C(=O)C2N=NC3=CC=C(C=C3)Cl)C(=O)CC(=O)NC4=CC=CC=C4Cl","FKVLWOJNRCWKPA-UHFFFAOYSA-N",370004,NA,"PDBC41089","642568","Present",NA,NA
+"41090","N-(2-Chlorophenyl)-4-(2-naphthyl)-2,4-dioxo-3-((2,4,6-trioxohexahydro-5-pyrimidinyl)methyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-4-naphthalen-2-yl-2,4-dioxo-3-[(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]butanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(CC3C(=O)NC(=O)NC3=O)C(=O)C(=O)NC4=CC=CC=C4Cl","KWTWFYCOSHFQMK-UHFFFAOYSA-N",373472,NA,"PDBC41090","649827","Present",NA,NA
+"41091","N-(2-Chlorophenyl)-4-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-4-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide",NA,"CN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","XDHOXAAWDBWHAW-UHFFFAOYSA-N",383168,NA,"PDBC41091","671281","Present",NA,NA
+"41092","N-(2-Chlorophenyl)-4-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Chloro-4-nitrobenzanilide",NA,"C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])Cl","LTKULTUWDIUMNO-UHFFFAOYSA-N",221830,NA,"PDBC41092","6902","Present",NA,NA
+"41093","N-(2-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea",NA,"CC1=CC(=NC(=C1)NC(=S)NC2=CC=CC=C2Cl)C","KCNOTUVLBPOHOK-UHFFFAOYSA-N",3005372,NA,"PDBC41093","695060","Present",NA,NA
+"41094","N-(2-Chlorophenyl)-N,2-dihydroxy-2,2-diphenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-N,2-dihydroxy-2,2-diphenylacetamide",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)N(C3=CC=CC=C3Cl)O)O","BXRDPFUDDFOFSK-UHFFFAOYSA-N",387900,NA,"PDBC41094","682131","Present",NA,NA
+"41095","N-(2-Chlorophenyl)-N-methyl-2-((triisopropylsilyl)oxy)-1-cyclohexene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-N-methyl-2-((triisopropylsilyl)oxy)-1-cyclohexene-1-carboxamide",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCCC1)C(=O)N(C)C2=CC=CC=C2Cl","RKZMCSDZAAPJGT-UHFFFAOYSA-N",395108,NA,"PDBC41095","699398","Present",NA,NA
+"41096","N-(2-Chlorophenyl)-N-methyl-2-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chloro-phenyl)-N-methyl-2-nitro-benzenesulfonamide",NA,"CN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","QLUUOLWQTPTAIE-UHFFFAOYSA-N",383167,NA,"PDBC41096","671280","Present",NA,NA
+"41097","N-(2-Chlorophenyl)-N-methyl-2-oxocycloheptane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-N-methyl-2-oxocycloheptane-1-carboxamide",NA,"CN(C1=CC=CC=C1Cl)C(=O)C2CCCCCC2=O","JZPBKANTYLVUFF-UHFFFAOYSA-N",395112,NA,"PDBC41097","699402","Present",NA,NA
+"41098","N-(2-Chlorophenyl)-N-methyl-2-tri(propan-2-yl)silyloxycycloheptene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-N-methyl-2-tri(propan-2-yl)silyloxycycloheptene-1-carboxamide",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCCCC1)C(=O)N(C)C2=CC=CC=C2Cl","NOKDXBFAONJVTF-UHFFFAOYSA-N",395116,NA,"PDBC41098","699406","Present",NA,NA
+"41099","N-(2-Chlorophenyl)-N-methyl-2-tri(propan-2-yl)silyloxycyclopentene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Chlorophenyl)-N-methyl-2-tri(propan-2-yl)silyloxycyclopentene-1-carboxamide",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCC1)C(=O)N(C)C2=CC=CC=C2Cl","ICFXIELSQXSJRJ-UHFFFAOYSA-N",395111,NA,"PDBC41099","699401","Present",NA,NA
+"41100","N-(2-Chlorophenyl)-N-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AE-562/12222143",NA,"CN(C1=CC=CC=C1Cl)S(=O)(=O)C2=CC=CC=C2","LGSFCNQOKBXWSV-UHFFFAOYSA-N",383177,NA,"PDBC41100","671290","Present",NA,NA
+"41101","N-(2-Chlorophenyl)cinnamamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7160AJ",NA,"C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2Cl","FKLXMLNUDVRAJG-ZHACJKMWSA-N",765318,NA,"PDBC41101","191390","Present",NA,NA
+"41102","N-(2-Cyano-4-(hydroxy(oxido)amino)phenyl)-3-(1,3-dihydro-2-benzofuran-1-yl)-4-(2-naphthyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyano-4-nitrophenyl)-3-(1,3-dihydro-2-benzofuran-1-yl)-4-naphthalen-2-yl-2,4-dioxobutanamide",NA,"C1C2=CC=CC=C2C(O1)C(C(=O)C3=CC4=CC=CC=C4C=C3)C(=O)C(=O)NC5=C(C=C(C=C5)[N+](=O)[O-])C#N","FEFWCRHVTQHVQE-UHFFFAOYSA-N",369459,NA,"PDBC41102","641229","Present",NA,NA
+"41103","N-(2-Cyano-4-(hydroxy(oxido)amino)phenyl)-N'-isobutyrylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyano-4-(hydroxy(oxido)amino)phenyl)-N'-isobutyrylthiourea",NA,"CC(C)C(=O)NC(=S)NC1=C(C=C(C=C1)[N+](=O)[O-])C#N","PRNRQLPEROJQHH-UHFFFAOYSA-N",3004247,NA,"PDBC41103","640344","Present",NA,NA
+"41104","N-(2-Cyano-4-nitrophenyl)-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyano-4-(hydroxy(oxido)amino)phenyl)-2,2,2-trifluoroacetamide",NA,"C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)C(F)(F)F","QWUQUNAWYYMGST-UHFFFAOYSA-N",366963,NA,"PDBC41104","636125","Present",NA,NA
+"41105","N-(2-Cyano-4-nitrophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyano-4-nitrophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N","XHARTLMKCFPBFS-UHFFFAOYSA-N",3000684,NA,"PDBC41105","645885","Present",NA,NA
+"41106","N-(2-Cyanoethyl)-2-diazo-N-methyl-3-oxo-butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Cyanoethyl)(methyl)amino]-2-diazonio-3-oxobut-1-en-1-olate",NA,"CC(=O)C(=[N+]=[N-])C(=O)N(C)CCC#N","CYEQKJFEFACFAD-UHFFFAOYSA-N",379006,NA,"PDBC41106","662774","Present",NA,NA
+"41107","N-(2-Cyanoethyl)-N-(3-methyl-4-(((3-methylphenyl)imino)methyl)phenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(3-methyl-4-(((3-methylphenyl)imino)methyl)phenyl)benzenesulfonamide",NA,"CC1=CC(=CC=C1)N=CC2=C(C=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3)C","XGMLUCBCMHSQQQ-UHFFFAOYSA-N",369349,NA,"PDBC41107","641104","Present",NA,NA
+"41108","N-(2-Cyanoethyl)-N-(3-methyl-4-((5-oxo-2-(2-phenylvinyl)-1,3-oxazol-4(5H)-ylidene)methyl)phenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-[3-methyl-4-[(Z)-[5-oxo-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-ylidene]methyl]phenyl]benzenesulfonamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C=CC4=CC=CC=C4","KKZCTSPXZZVXLJ-FBPGSLRJSA-N",6477336,NA,"PDBC41108","645663","Present",NA,NA
+"41109","N-(2-Cyanoethyl)-N-(3-methylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(3-methylphenyl)benzenesulfonamide",NA,"CC1=CC(=CC=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2","CQGKMAAWYFFSAN-UHFFFAOYSA-N",383955,NA,"PDBC41109","672959","Present",NA,NA
+"41110","N-(2-Cyanoethyl)-N-(4-(((2-methylphenyl)imino)methyl)phenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(4-(((2-methylphenyl)imino)methyl)phenyl)benzenesulfonamide",NA,"CC1=CC=CC=C1N=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","WUUIRTJMNUXZMK-UHFFFAOYSA-N",372596,NA,"PDBC41110","647957","Present",NA,NA
+"41111","N-(2-Cyanoethyl)-N-(4-(((3-(hydroxy(oxido)amino)phenyl)imino)methyl)phenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(4-(((3-(hydroxy(oxido)amino)phenyl)imino)methyl)phenyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=NC3=CC(=CC=C3)[N+](=O)[O-]","NZSJSGUZJLJPCH-UHFFFAOYSA-N",372597,NA,"PDBC41111","647958","Present",NA,NA
+"41112","N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)-3-methylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)-3-methylphenyl)benzenesulfonamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=NC3=CC=C(C=C3)OC","NDYFCBAEYCYIET-UHFFFAOYSA-N",370469,NA,"PDBC41112","643599","Present",NA,NA
+"41113","N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)phenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(4-(((4-methoxyphenyl)imino)methyl)phenyl)benzenesulfonamide",NA,"COC1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","QLIBLEBTZXTNPJ-UHFFFAOYSA-N",372593,NA,"PDBC41113","647954","Present",NA,NA
+"41114","N-(2-Cyanoethyl)-N-(4-(((4-phenyl-1,3-thiazol-2-yl)imino)methyl)phenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(4-(((4-phenyl-1,3-thiazol-2-yl)imino)methyl)phenyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)C2=CSC(=N2)N=CC3=CC=C(C=C3)N(CCC#N)S(=O)(=O)C4=CC=CC=C4","WANKECCPVFQUSU-OVVQPSECSA-N",9571286,NA,"PDBC41114","641107","Present",NA,NA
+"41115","N-(2-Cyanoethyl)-N-(4-((phenylimino)methyl)phenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(4-((phenylimino)methyl)phenyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)S(=O)(=O)C3=CC=CC=C3","BGGVTOMPSDLRFU-UHFFFAOYSA-N",372598,NA,"PDBC41115","647959","Present",NA,NA
+"41116","N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)benzenesulfonamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=O","CUUKTNIAFXSFOL-UHFFFAOYSA-N",367837,NA,"PDBC41116","637912","Present",NA,NA
+"41117","N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(4-formyl-3-methylphenyl)methanesulfonamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C)C=O","UBQMUNBMQLEESX-UHFFFAOYSA-N",367838,NA,"PDBC41117","637913","Present",NA,NA
+"41118","N-(2-Cyanoethyl)-N-(4-formylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000836",NA,"C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=O","DBNGLTYHKBKBIV-UHFFFAOYSA-N",367839,NA,"PDBC41118","637914","Present",NA,NA
+"41119","N-(2-Cyanoethyl)-N-(4-formylphenyl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanoethyl)-N-(4-formylphenyl)methanesulfonamide",NA,"CS(=O)(=O)N(CCC#N)C1=CC=C(C=C1)C=O","KNUOZBGPBBRXAG-UHFFFAOYSA-N",367840,NA,"PDBC41119","637915","Present",NA,NA
+"41120","N-(2-Cyanophenyl)-2,3,4,5-tetrahydroxy-6-oxo-hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanophenyl)-2,3,4,5-tetrahydroxy-6-oxo-hexanamide",NA,"C1=CC=C(C(=C1)C#N)NC(=O)C(C(C(C(C=O)O)O)O)O","RBGCGCJZQWJJNF-UHFFFAOYSA-N",387308,NA,"PDBC41120","681021","Present",NA,NA
+"41121","N-(2-Cyanophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide",NA,"C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=NC=C4","UOYBNSKBGIXVEJ-UHFFFAOYSA-N",371546,NA,"PDBC41121","645875","Present",NA,NA
+"41122","N-(2-Cyanophenyl)-2-((4-(hydroxy(oxido)amino)phenyl)hydrazono)-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(2-Cyanophenyl)-2-[(4-nitrophenyl)hydrazinylidene]-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide",NA,"C1=CC=C(C(=C1)C#N)NC(=O)C(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3C(=O)NC(=O)NC3=O","WAFQHDTXVORHPL-MYYYXRDXSA-N",9555876,NA,"PDBC41122","646382","Present",NA,NA
+"41123","N-(2-Cyanophenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanophenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide",NA,"C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C2=C(C3=CC=CC=C3OC2=O)O","MGJDGMITBKIAHX-UHFFFAOYSA-N",54695476,NA,"PDBC41123","648615","Present",NA,NA
+"41124","N-(2-Cyanophenyl)-2-hydrazono-4-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(2-Cyanophenyl)-2-hydrazinylidene-4-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide",NA,"C1=CC=C(C(=C1)C#N)NC(=O)C(=NN)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=NC=C4","IJLCEOMLHZLXON-BRPDVVIDSA-N",9571293,NA,"PDBC41124","641434","Present",NA,NA
+"41125","N-(2-Cyanophenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanophenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide",NA,"C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C2C(=O)NC(=S)N2","ORACOXBRMZVSHL-UHFFFAOYSA-N",3004331,NA,"PDBC41125","645891","Present",NA,NA
+"41126","N-(2-Cyanophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Cyanophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C(C(=C1)C#N)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","ZIIWEVVIUDNLCQ-UHFFFAOYSA-N",369243,NA,"PDBC41126","640974","Present",NA,NA
+"41127","N-(2-Cyanophenyl)-4-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0062958",NA,"COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C#N","JIMAVGYEBLMJJK-UHFFFAOYSA-N",359336,NA,"PDBC41127","620122","Present",NA,NA
+"41128","N-(2-Cyanophenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK391380",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2C#N","IQAAKQSNMORTCT-UHFFFAOYSA-N",359334,NA,"PDBC41128","620120","Present",NA,NA
+"41129","N-(2-Diethylaminoethyl)-2-methyl-3,5-dithioxo-1,2,4-triazine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Diethylaminoethyl)-2-methyl-3,5-dithioxo-1,2,4-triazine-6-carboxamide",NA,"CCN(CC)CCNC(=O)C1=NN(C(=S)NC1=S)C","IQVGHMVTRNDWHN-UHFFFAOYSA-N",3001920,NA,"PDBC41129","627520","Present",NA,NA
+"41130","N-(2-Diethylaminoethyl)-6-(4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Diethylaminoethyl)-6-(4-oxochromen-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide",NA,"CCN(CC)CCNC(=O)C1COC2=C(O1)C=C(C=C2)C3=CC(=O)C4=CC=CC=C4O3","ZVTOVXADFYRGPX-UHFFFAOYSA-N",361049,NA,"PDBC41130","623792","Present",NA,NA
+"41131","N-(2-Dimethoxymethyl)-3-(phenylthio)-2-pyrroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Dimethoxymethyl)-3-(phenylthio)-2-pyrroline",NA,"COC(CN1CCC(=C1)SC2=CC=CC=C2)OC","SNJCSUAPHSSAQZ-UHFFFAOYSA-N",368978,NA,"PDBC41131","640437","Present",NA,NA
+"41132","N-(2-Dimethylaminoethyl)-9,10-dihydro-9,10-dioxo-1-anthracenecarboxamide hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Dimethylaminoethyl)-9,10-dihydro-9,10-dioxo-1-anthracenecarboxamide hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1C(=O)C3=CC=CC=C3C2=O.Cl","GJWMMGZKLWHZDV-UHFFFAOYSA-N",183393,NA,"PDBC41132","623952","Present",NA,NA
+"41133","N-(2-Dimethylaminoethyl)-9-oxo-9H-xanthene-4-carboxamide hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Dimethylaminoethyl)-9-oxo-9H-xanthene-4-carboxamide hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1OC3=CC=CC=C3C2=O.Cl","WRKVHGNZPOIJPQ-UHFFFAOYSA-N",183394,NA,"PDBC41133","617956","Present",NA,NA
+"41134","N-(2-Dimethylaminoethyloxy)adamantane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Dimethylaminoethyloxy)adamantane-1-carboxamide",NA,"CN(C)CCONC(=O)C12CC3CC(C1)CC(C3)C2","SZFFHWKHOOUBIW-UHFFFAOYSA-N",363358,NA,"PDBC41134","628241","Present",NA,NA
+"41135","N-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-2,2,6,6-tetrakis(trifluoromethyl)-1,3,5-dioxazin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-2,2,6,6-tetrakis(trifluoromethyl)-1,3,5-dioxazin-4-amine",NA,"CCOP1(=O)C(N(C(=N1)NC2=NC(OC(O2)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C)(C)C","UUGZYRFHUQTTQS-UHFFFAOYSA-N",382497,NA,"PDBC41135","670103","Present",NA,NA
+"41136","N-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxy-3,3,4-trimethyl-2-oxo-1,4,2lambda5-diazaphosphol-5-yl)-4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-amine",NA,"CCOP1(=O)C(N(C(=N1)NC2=NC(N=C(O2)C(F)(F)F)(C(F)(F)F)C(F)(F)F)C)(C)C","MSKPGMRMRSURKL-UHFFFAOYSA-N",382496,NA,"PDBC41136","670102","Present",NA,NA
+"41137","N-(2-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide",NA,"CCOC1=CC=CC=C1NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O","KNLPRLCCNPAGBS-UHFFFAOYSA-N",371990,NA,"PDBC41137","646805","Present",NA,NA
+"41138","N-(2-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CCOC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","GBEMLYVQENFNCL-UHFFFAOYSA-N",366122,NA,"PDBC41138","634409","Present",NA,NA
+"41139","N-(2-Ethoxyphenyl)-2-(2-(4-(hydroxy(oxido)amino)anilino)-4-oxo-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxyphenyl)-2-[2-(4-nitroanilino)-4-oxo-thiazol-5-yl]acetamide",NA,"CCOC1=CC=CC=C1NC(=O)CC2C(=O)NC(=NC3=CC=C(C=C3)[N+](=O)[O-])S2","RWFHLEJLPWDGTI-UHFFFAOYSA-N",135479049,NA,"PDBC41139","632927","Present",NA,NA
+"41140","N-(2-Ethoxyphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxyphenyl)-3-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide",NA,"CCOC1=CC=CC=C1NC(=O)CCC2=NNC(=S)O2","GCISXYKTVYZSHJ-UHFFFAOYSA-N",4371592,NA,"PDBC41140","618991","Present",NA,NA
+"41141","N-(2-Ethoxyphenyl)-3-(5-oxo-6-(3-phenylpropylidene)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxyphenyl)-3-[(6Z)-5-oxo-6-(3-phenylpropylidene)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide",NA,"CCOC1=CC=CC=C1NC(=O)CCC2=NN=C3N2C(=O)C(=CCCC4=CC=CC=C4)S3","HFMMIAGEXRUHSN-ZHZULCJRSA-N",5387702,NA,"PDBC41141","625833","Present",NA,NA
+"41142","N-(2-Ethoxyphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxyphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,"CCOC1=CC=CC=C1NC(=O)CCC2=NC(=S)NN2","PVHWIUBFCZPSJK-UHFFFAOYSA-N",3004174,NA,"PDBC41142","634679","Present",NA,NA
+"41143","N-(2-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"CCOC1=CC=CC=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","OJOOTGVNBJKFNB-UHFFFAOYSA-N",369460,NA,"PDBC41143","641230","Present",NA,NA
+"41144","N-(2-Ethoxyphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxyphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide",NA,"CCOC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","RRJWXDNOCAEJAS-UHFFFAOYSA-N",364333,NA,"PDBC41144","630348","Present",NA,NA
+"41145","N-(2-Ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,"CCOC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","OFXRDYFBGBMQIL-UHFFFAOYSA-N",366532,NA,"PDBC41145","635141","Present",NA,NA
+"41146","N-(2-Ethoxyphenyl)-4-hydrazino-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethoxyphenyl)-4-hydrazino-4-oxobutanamide",NA,"CCOC1=CC=CC=C1NC(=O)CCC(=O)NN","XACBZTIEKWRHSC-UHFFFAOYSA-N",362236,NA,"PDBC41146","625840","Present",NA,NA
+"41147","N-(2-Ethyl-3-(3-ethyl-5-methyl-4-((oxo(2,4,6-trioxohexahydro-5-pyrimidinyl)acetyl)amino)benzyl)-6-methylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Ethyl-3-[[3-ethyl-5-methyl-4-[[2-oxo-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetyl]amino]phenyl]methyl]-6-methylphenyl]-2-oxo-2-(2,4,6-trioxo-1,3-diazinan-5-yl)acetamide",NA,"CCC1=C(C(=CC(=C1)CC2=C(C(=C(C=C2)C)NC(=O)C(=O)C3C(=O)NC(=O)NC3=O)CC)C)NC(=O)C(=O)C4C(=O)NC(=O)NC4=O","HLHNCDYRLVHJOH-UHFFFAOYSA-N",371856,NA,"PDBC41147","646376","Present",NA,NA
+"41148","N-(2-Ethyl-6-isopropylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-isopropylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O","WVKORGAIDBIUHA-UHFFFAOYSA-N",372880,NA,"PDBC41148","648592","Present",NA,NA
+"41149","N-(2-Ethyl-6-isopropylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-isopropylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","OPHFWKOHMVOISO-UHFFFAOYSA-N",365369,NA,"PDBC41149","632955","Present",NA,NA
+"41150","N-(2-Ethyl-6-isopropylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-isopropylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O","WODIOYYWVPMYGJ-UHFFFAOYSA-N",371566,NA,"PDBC41150","645895","Present",NA,NA
+"41151","N-(2-Ethyl-6-isopropylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-isopropylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S","QRSQLCPRXYQGAD-UHFFFAOYSA-N",3000688,NA,"PDBC41151","648611","Present",NA,NA
+"41152","N-(2-Ethyl-6-methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CCC1=CC=CC(=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O)C","XVSVWVOBVSNXAB-UHFFFAOYSA-N",360692,NA,"PDBC41152","623028","Present",NA,NA
+"41153","N-(2-Ethyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CCC1=CC=CC(=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C","YUICUTSNDOALGJ-UHFFFAOYSA-N",367676,NA,"PDBC41153","637607","Present",NA,NA
+"41154","N-(2-Ethyl-6-methylphenyl)-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-methylphenyl)-3-(5-(methylthio)-1,3,4-oxadiazol-2-yl)propanamide",NA,"CCC1=CC=CC(=C1NC(=O)CCC2=NN=C(O2)SC)C","ORDCFYRUBSQPSH-UHFFFAOYSA-N",366518,NA,"PDBC41154","635127","Present",NA,NA
+"41155","N-(2-Ethyl-6-methylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-methylphenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,"CCC1=CC=CC(=C1NC(=O)CCC2=NC(=S)NN2)C","JSSMBABDJJAYNX-UHFFFAOYSA-N",3004173,NA,"PDBC41155","634665","Present",NA,NA
+"41156","N-(2-Ethyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,"CCC1=CC=CC(=C1NC(=O)CCC2=NNC(=S)O2)C","RJUMRHZXXDWAHO-UHFFFAOYSA-N",3004208,NA,"PDBC41156","636109","Present",NA,NA
+"41157","N-(2-Ethyl-6-methylphenyl)-3-(6-(1-naphthylmethylene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-methylphenyl)-3-[(6Z)-6-(naphthalen-1-ylmethylidene)-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide",NA,"CCC1=CC=CC(=C1NC(=O)CCC2=NN=C3N2C(=O)C(=CC4=CC=CC5=CC=CC=C54)S3)C","FLLKVUGVRCMUGX-JWGURIENSA-N",5387701,NA,"PDBC41157","625832","Present",NA,NA
+"41158","N-(2-Ethyl-6-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OV5240TL4C",NA,"CCC1=CC=CC(=C1NC(=O)C)C","OEYCXAGQPZAQQE-UHFFFAOYSA-N",178926,NA,"PDBC41158","627713","Present",NA,NA
+"41159","N-(2-Ethyl-6-methylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PhSO2NH-2Et6MePh",NA,"CCC1=CC=CC(=C1NS(=O)(=O)C2=CC=CC=C2)C","IXQWZFREIZQQLA-UHFFFAOYSA-N",363137,NA,"PDBC41159","627712","Present",NA,NA
+"41160","N-(2-Ethyl-6-propan-2-ylphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-6-propan-2-ylphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide",NA,"CCC1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","IRXNJSVZSWQMOP-UHFFFAOYSA-N",366762,NA,"PDBC41160","635535","Present",NA,NA
+"41161","N-(2-Ethyl-phenyl)-2-hydroxyimino-3-oxo-butyramide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethyl-phenyl)-2-hydroxyimino-3-oxo-butyramide",NA,"CCC1=CC=CC=C1NC(=O)C(=C(C)O)N=O","GHPJSSQIKOKVGT-DHZHZOJOSA-N",135462474,NA,"PDBC41161","636807","Present",NA,NA
+"41162","N-(2-Ethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,"CCC1=CC=CC=C1NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N","JGFPJQXISCLJJD-UHFFFAOYSA-N",364954,NA,"PDBC41162","631840","Present",NA,NA
+"41163","N-(2-Ethylphenyl)-2-(4-oxo-1,3-thiazolidin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethylphenyl)-2-(4-oxo-1,3-thiazolidin-2-yl)acetamide",NA,"CCC1=CC=CC=C1NC(=O)CC2NC(=O)CS2","VJRUURGWNAUBTG-UHFFFAOYSA-N",367610,NA,"PDBC41163","637442","Present",NA,NA
+"41164","N-(2-Ethylphenyl)-2-hydroxy-3-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Ethyl-3-nitrosalicylanilide",NA,"CCC1=CC=CC=C1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O","ZMRHTPIJGGJNLI-UHFFFAOYSA-N",259820,NA,"PDBC41164","90411","Present",NA,NA
+"41165","N-(2-Ethylphenyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethylphenyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,"CCC1=CC=CC=C1NC(=O)C(=O)C(C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC","KHSCGJATQXQZQI-UHFFFAOYSA-N",360435,NA,"PDBC41165","622571","Present",NA,NA
+"41166","N-(2-Ethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,"CCC1=CC=CC=C1NC(=O)CCC2=NNC(=S)O2","WWLJKDTZCZTUCM-UHFFFAOYSA-N",3004205,NA,"PDBC41166","636105","Present",NA,NA
+"41167","N-(2-Ethylphenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethylphenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,"CCC1=CC=CC=C1NC(=O)CCC2=NC(=S)NN2","ZNHJWCSYKOUVKR-UHFFFAOYSA-N",3004077,NA,"PDBC41167","625836","Present",NA,NA
+"41168","N-(2-Ethylphenyl)-3-isobutyryl-2-oxoheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethylphenyl)-3-isobutyryl-2-oxoheptanamide",NA,"CCCCC(C(=O)C(C)C)C(=O)C(=O)NC1=CC=CC=C1CC","AFVMTCSENLGXCN-UHFFFAOYSA-N",360429,NA,"PDBC41168","622565","Present",NA,NA
+"41169","N-(2-Ethylsulfinylacetyl)-N-phenylhex-5-ynamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Ethylsulfinylacetyl)-N-phenylhex-5-ynamide",NA,"CCS(=O)CC(=O)N(C1=CC=CC=C1)C(=O)CCCC#C","MLQCCTKUHOODMG-UHFFFAOYSA-N",397436,NA,"PDBC41169","705294","Present",NA,NA
+"41170","N-(2-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,"C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC=CC=C4F)F","SQNRYFRSPCYXID-UHFFFAOYSA-N",135426693,NA,"PDBC41170","709563","Present",NA,NA
+"41171","N-(2-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,"C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC(=CC=C4)F)F","SXENSPNEYWGLLZ-UHFFFAOYSA-N",135426694,NA,"PDBC41171","709564","Present",NA,NA
+"41172","N-(2-Fluorophenyl)-3-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Fluorophenyl)-3-[3-methyl-4-[(2-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=CC=C2[N+](=O)[O-])C(=O)CC(=O)NC3=CC=CC=C3F","UCSDHAYQLGLXSW-UHFFFAOYSA-N",370821,NA,"PDBC41172","644472","Present",NA,NA
+"41173","N-(2-Fluorophenyl)-3-hydrazino-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Fluorophenyl)-3-hydrazino-3-oxopropanamide",NA,"C1=CC=C(C(=C1)NC(=O)CC(=O)NN)F","FNIRLWINUQJFMS-UHFFFAOYSA-N",370454,NA,"PDBC41173","643585","Present",NA,NA
+"41174","N-(2-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=C3F)O","FOWSWUFETIMEKG-UHFFFAOYSA-N",135426700,NA,"PDBC41174","709578","Present",NA,NA
+"41175","N-(2-Fluorophenyl)-7-hydroxy-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Fluorophenyl)-7-hydroxy-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide",NA,"C1=CC=C(C(=C1)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC=CC(=C4)C(F)(F)F)F","QLOQZUDCKIKBNZ-UHFFFAOYSA-N",135426695,NA,"PDBC41175","709566","Present",NA,NA
+"41176","N-(2-Fluorophenyl)-7-hydroxy-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Fluorophenyl)-7-hydroxy-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide",NA,"C1=CC=C(C(=C1)NC(=O)C2=C(N=C3N(C2=O)C=CS3)O)F","WEYCBWFTVJIATQ-UHFFFAOYSA-N",135409172,NA,"PDBC41176","663554","Present",NA,NA
+"41177","N-(2-Fluorophenyl)-N'-(3-{3-methyl-4-[(E)-(4-nitrophenyl)diazenyl]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanoyl)malonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Fluorophenyl)-N'-[3-[3-methyl-4-[(4-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanoyl]propanediamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC(=O)NC(=O)CC(=O)NC3=CC=CC=C3F","BLNUOIYFXDGPAX-UHFFFAOYSA-N",370458,NA,"PDBC41177","643589","Present",NA,NA
+"41178","N-(2-Fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-p-toluenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Fluorophenyl)-N-(2-hydroxy-2-phenylethyl)-p-toluenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CC(C2=CC=CC=C2)O)C3=CC=CC=C3F","SIRZVLZKALFINI-UHFFFAOYSA-N",404084,NA,"PDBC41178","720205","Present",NA,NA
+"41179","N-(2-Fluorophenyl)-N-(2-hydroxycyclohexyl)-p-toluenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Fluorophenyl)-N-(2-hydroxycyclohexyl)-p-toluenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C2CCCCC2O)C3=CC=CC=C3F","RDEWYSPZHTYTSS-UHFFFAOYSA-N",404086,NA,"PDBC41179","720207","Present",NA,NA
+"41180","N-(2-Fluorophenyl)Cinnamamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AK155863",NA,"C1=CC=C(C=C1)C=CC(=O)NC2=CC=CC=C2F","GFAVMCPSQILRPK-ZHACJKMWSA-N",875024,NA,"PDBC41180","191382","Present",NA,NA
+"41181","N-(2-Formyl-3-methoxyphenyl)-2,2-dimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CD-0726",NA,"CC(C)(C)C(=O)NC1=C(C(=CC=C1)OC)C=O","YXASJBNPUMOCRO-UHFFFAOYSA-N",360048,NA,"PDBC41181","621846","Present",NA,NA
+"41182","N-(2-Formyl-5-methoxyphenyl)-2-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Formyl-5-methoxyphenyl)-2-methylpropanamide",NA,"CC(C)C(=O)NC1=C(C=CC(=C1)OC)C=O","UXKKYDFDHXDCIY-UHFFFAOYSA-N",357870,NA,"PDBC41182","617404","Present",NA,NA
+"41183","N-(2-Formyl-5-methoxyphenyl)-N,2,2-trimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Formyl-5-methoxyphenyl)-N,2,2-trimethylpropanamide",NA,"CC(C)(C)C(=O)N(C)C1=C(C=CC(=C1)OC)C=O","GNPPRXBOBKZACL-UHFFFAOYSA-N",357690,NA,"PDBC41183","617207","Present",NA,NA
+"41184","N-(2-Formylphenyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EC-000.1784",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C=O","QLQGABDYGHEFOM-UHFFFAOYSA-N",274241,NA,"PDBC41184","120186","Present",NA,NA
+"41185","N-(2-Furylmethyl)-2-(2-pyridinyl)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Furylmethyl)-2-(2-pyridinyl)ethanamine",NA,"C1=CC=NC(=C1)CCNCC2=CC=CO2","YWXVVNIDMJBPNK-UHFFFAOYSA-N",238327,NA,"PDBC41185","42656","Present",NA,NA
+"41186","N-(2-Hydrazino-4-oxoquinazolin-3(4H)-yl)-N'-[3-(trifluoromethyl)phenyl]ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydrazino-4-oxoquinazolin-3(4H)-yl)-N'-[3-(trifluoromethyl)phenyl]ethanediamide",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)NN)NC(=O)C(=O)NC3=CC=CC(=C3)C(F)(F)F","WYLMBBIZMCYYIH-UHFFFAOYSA-N",372949,NA,"PDBC41186","648661","Present",NA,NA
+"41187","N-(2-Hydroxy-1,1-bis(hydroxymethyl)ethyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC(CO)(CO)CO","LZTRRHSDDPSGGT-UHFFFAOYSA-N",384534,NA,"PDBC41187","674505","Present",NA,NA
+"41188","N-(2-Hydroxy-1,1-dimethylethyl)-2-thiophenecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HZZPXTGUJSITKM-UHFFFAOYSA-",NA,"CC(C)(CO)NC(=O)C1=CC=CS1","HZZPXTGUJSITKM-UHFFFAOYSA-N",382480,NA,"PDBC41188","670086","Present",NA,NA
+"41189","N-(2-Hydroxy-1,3-dimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[5,6,7,9-tetrahydro-2-hydroxy-1,3-dimethoxy...",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)O)OC","OMQLBXIHBJAOIO-UHFFFAOYSA-N",435445,NA,"PDBC41189","369937","Present",NA,NA
+"41190","N-(2-Hydroxy-2-phenylpropyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F6200-1716",NA,"CC(CNS(=O)(=O)C1=CC=CC=C1)(C2=CC=CC=C2)O","OCFFLLSDBSKNFW-UHFFFAOYSA-N",242440,NA,"PDBC41190","51070","Present",NA,NA
+"41191","N-(2-Hydroxy-3-(octanoylamino)propyl)octanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxy-3-(octanoylamino)propyl)octanamide",NA,"CCCCCCCC(=O)NCC(CNC(=O)CCCCCCC)O","LYMNDWKZMXKZHF-UHFFFAOYSA-N",361855,NA,"PDBC41191","625176","Present",NA,NA
+"41192","N-(2-Hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C(=C(C(=C3F)F)F)F)F","BSKHCFJSWURNRS-UHFFFAOYSA-N",404083,NA,"PDBC41192","720204","Present",NA,NA
+"41193","N-(2-Hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxy-3-phenoxypropyl)-4-methyl-N-(2,3,5,6-tetrafluorophenyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=C(C(=CC(=C3F)F)F)F","BNGLRQJRJUTPSW-UHFFFAOYSA-N",404082,NA,"PDBC41193","720203","Present",NA,NA
+"41194","N-(2-Hydroxy-3-phenoxypropyl)-N-tosyl-2-chlorobenzeneamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxy-3-phenoxypropyl)-N-tosyl-2-chlorobenzeneamine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CC(COC2=CC=CC=C2)O)C3=CC=CC=C3Cl","SLIQEEZJFALXJB-UHFFFAOYSA-N",404087,NA,"PDBC41194","720208","Present",NA,NA
+"41195","N-(2-Hydroxy-5-methylphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxy-5-methylphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"CC1=CC(=C(C=C1)O)NC(=O)C2=CC(=CC=C2)NC3=CC(=NC=C3)C(F)(F)F","RRPNOLAOGNULEP-UHFFFAOYSA-N",54613407,NA,"PDBC41195","748712","Present",NA,NA
+"41196","N-(2-Hydroxy-5-methylphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxy-5-methylphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide",NA,"CC1=CC(=C(C=C1)O)NC(=O)C2=CC=C(C=C2)CNC3=CC(=NC=C3)C(F)(F)F","HKPBMUSVXAPONE-UHFFFAOYSA-N",54613415,NA,"PDBC41196","748715","Present",NA,NA
+"41197","N-(2-Hydroxybenzylidene)valine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxybenzylidene)valine",NA,"CC(C)C(C(=O)O)N=CC1=CC=CC=C1O","RUNAUAUFPNXLFO-UHFFFAOYSA-N",364251,NA,"PDBC41197","99419","Present",NA,NA
+"41198","N-(2-Hydroxyethyl)-2-[1-(2-hydroxyethyl)-4-methyl-6-oxopyridin-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxy-ethyl)-2-[1-(2-hydroxy-ethyl)-4-methyl-6-oxo-1,6-dihydro-pyridin-2-yl]-acetamide",NA,"CC1=CC(=O)N(C(=C1)CC(=O)NCCO)CCO","LLJPPGDKPVCQFH-UHFFFAOYSA-N",365730,NA,"PDBC41198","633671","Present",NA,NA
+"41199","N-(2-Hydroxyethyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxyethyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCO","WPXNGDFALRIPKY-UHFFFAOYSA-N",384530,NA,"PDBC41199","674501","Present",NA,NA
+"41200","N-(2-Hydroxyethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxyethyl)-9-(4-sulfamoylanilino)acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCO)NC4=CC=C(C=C4)S(=O)(=O)N","YOVNKCPYSFMDPL-UHFFFAOYSA-N",384529,NA,"PDBC41200","674500","Present",NA,NA
+"41201","N-(2-Hydroxyethyl)-N-[(1H-imidazol-5-yl)methyl]-N-methylhexadecan-1-aminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Imidazole-4-methanaminium, N-hexadecyl-N-(2-hydroxyet...",NA,"CCCCCCCCCCCCCCCC[N+](C)(CCO)CC1=CN=CN1.[Cl-]","MXQQSGPXGZJFFC-UHFFFAOYSA-M",21144688,NA,"PDBC41201","265875","Present",NA,NA
+"41202","N-(2-Hydroxyphenyl)-4-(quinolin-8-ylsulfonylamino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773319",NA,"C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)O","VFPIDGYYGNFYMH-UHFFFAOYSA-N",5045370,NA,"PDBC41202","773319","Present",NA,NA
+"41203","N-(2-Hydroxyphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Hydroxyphenyl)-4-[[[2-(trifluoromethyl)pyridin-4-yl]amino]methyl]benzamide",NA,"C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CNC3=CC(=NC=C3)C(F)(F)F)O","HEUBKNQLUZSSDS-UHFFFAOYSA-N",54613337,NA,"PDBC41203","748708","Present",NA,NA
+"41204","N-(2-Imidazol-1-ylethyl)-4-(2-nitroimidazol-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Imidazol-1-ylethyl)-4-(2-nitroimidazol-1-yl)butanamide",NA,"C1=CN(C=N1)CCNC(=O)CCCN2C=CN=C2[N+](=O)[O-]","XROWHSGXXSTTBN-UHFFFAOYSA-N",369981,NA,"PDBC41204","642499","Present",NA,NA
+"41205","N-(2-Iodophenyl)-3,3-dimethyl-2-methylene-4-pentenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Iodophenyl)-3,3-dimethyl-2-methylene-4-pentenamide",NA,"CC(C)(C=C)C(=C)C(=O)NC1=CC=CC=C1I","QBZZMYOPOQLMLQ-UHFFFAOYSA-N",393205,NA,"PDBC41205","694693","Present",NA,NA
+"41206","N-(2-Iodophenyl)-N,3,3-trimethyl-2-methylene-4-pentenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Iodophenyl)-N,3,3-trimethyl-2-methylene-4-pentenamide",NA,"CC(C)(C=C)C(=C)C(=O)N(C)C1=CC=CC=C1I","ADZCBKZRJRGWDY-UHFFFAOYSA-N",393206,NA,"PDBC41206","694694","Present",NA,NA
+"41207","N-(2-Iodophenyl)-N-(2-methoxyethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Iodophenyl)-N-(2-methoxyethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide",NA,"COCCOCN(C1=CC=CC=C1I)C(=O)C2=CCC3(CC2)OCCO3","JBCFLBBGLQGXOZ-UHFFFAOYSA-N",393180,NA,"PDBC41207","694668","Present",NA,NA
+"41208","N-(2-Iodophenyl)-N-(2-trimethylsilylethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Iodophenyl)-N-(2-trimethylsilylethoxymethyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide",NA,"C[Si](C)(C)CCOCN(C1=CC=CC=C1I)C(=O)C2=CCC3(CC2)OCCO3","WSVULZLKQSEXSL-UHFFFAOYSA-N",393192,NA,"PDBC41208","694680","Present",NA,NA
+"41209","N-(2-Iodophenyl)-N-methyl-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Iodophenyl)-N-methyl-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide",NA,"CN(C1=CC=CC=C1I)C(=O)C2=CCC3(CC2)OCCO3","RNFWSGKFKRXTIL-UHFFFAOYSA-N",393178,NA,"PDBC41209","694666","Present",NA,NA
+"41210","N-(2-Iodophenyl)-N-methyl-1-cycloheptene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Iodophenyl)-N-methyl-1-cycloheptene-1-carboxamide",NA,"CN(C1=CC=CC=C1I)C(=O)C2=CCCCCC2","QPSSPXPNRGPWHG-UHFFFAOYSA-N",393187,NA,"PDBC41210","694675","Present",NA,NA
+"41211","N-(2-Iodylphenyl)-N-methylcyclohexanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-iodylphenyl)-N-methylcyclohexanecarboxamide",NA,"CN(C1=CC=CC=C1I(=O)=O)C(=O)C2CCCCC2","QAGOJOIOIZGEQI-UHFFFAOYSA-N",11552534,NA,"PDBC41211","737259","Present",NA,NA
+"41212","N-(2-Iodylphenyl)-N-methylpivalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-iodylphenyl)-N-methylpivalamide",NA,"CC(C)(C)C(=O)N(C)C1=CC=CC=C1I(=O)=O","BQNOALGNYUOPBP-UHFFFAOYSA-N",24205923,NA,"PDBC41212","737260","Present",NA,NA
+"41213","N-(2-Iodylphenyl)cyclohexanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-iodylphenyl)cyclohexanecarboxamide",NA,"C1CCC(CC1)C(=O)NC2=CC=CC=C2I(=O)=O","SRAXMQMAHYEJGW-UHFFFAOYSA-N",24205921,NA,"PDBC41213","737257","Present",NA,NA
+"41214","N-(2-Iodylphenyl)pivalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-iodylphenyl)pivalamide",NA,"CC(C)(C)C(=O)NC1=CC=CC=C1I(=O)=O","ASOWTECVVJGCQK-UHFFFAOYSA-N",24205922,NA,"PDBC41214","737258","Present",NA,NA
+"41215","N-(2-Isopropoxy-3-methoxybenzylidene)-6,7-dimethoxy-1-naphthalenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Isopropoxy-3-methoxybenzylidene)-6,7-dimethoxy-1-naphthalenamine",NA,"CC(C)OC1=C(C=CC=C1OC)C=NC2=CC=CC3=CC(=C(C=C32)OC)OC","VKCYVFGHMVLWFL-UHFFFAOYSA-N",371214,NA,"PDBC41215","645263","Present",NA,NA
+"41216","N-(2-Isopropyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Isopropyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=C(C(=CC=C1)C(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","AMOAUJZVXKOCOI-UHFFFAOYSA-N",366862,NA,"PDBC41216","635841","Present",NA,NA
+"41217","N-(2-Isopropylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Isopropylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,"CC(C)C1=CC=CC=C1NC(=O)CCC2=NNC(=S)O2","DWWDYKFQMUISQW-UHFFFAOYSA-N",3004201,NA,"PDBC41217","636100","Present",NA,NA
+"41218","N-(2-Methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-5-yl)-4-methylbenzenesulfonamide;4-methyl-N-(2-methyl-1-oxopropan-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxy-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-5-yl)-4-methylbenzenesulfonamide;4-methyl-N-(2-methyl-1-oxopropan-2-yl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2CCCC3C2CCC(O3)OC.CC1=CC=C(C=C1)S(=O)(=O)NC(C)(C)C=O","BYHSXWPCCRPFCQ-UHFFFAOYSA-N",358277,NA,"PDBC41218","618221","Present",NA,NA
+"41219","N-(2-Methoxy-5-methylphenyl)cyanothioformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxy-5-methylphenyl)cyanothioformamide",NA,"CC1=CC(=C(C=C1)OC)NC(=S)C#N","HFYRKHHGWAXCQL-UHFFFAOYSA-N",3510953,NA,"PDBC41219","369320","Present",NA,NA
+"41220","N-(2-Methoxyethyl)-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyethyl)-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide",NA,"COCCN(C1CCC(=O)C2=C1C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4","JCHLODAJDLVHRV-UHFFFAOYSA-N",385077,NA,"PDBC41220","676006","Present",NA,NA
+"41221","N-(2-Methoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylacetamide",NA,"CC(=O)N(CCOC)C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2","KJHPNNIYKNSSCW-UHFFFAOYSA-N",385075,NA,"PDBC41221","676004","Present",NA,NA
+"41222","N-(2-Methoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyethyl)-N-spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-ylbenzamide",NA,"COCCN(C1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2)C(=O)C5=CC=CC=C5","LLMJEIVNXZCLQJ-UHFFFAOYSA-N",385076,NA,"PDBC41222","676005","Present",NA,NA
+"41223","N-(2-Methoxyethyl)spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyethyl)spiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine",NA,"COCCNC1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2","ODXRSRHKEHVMQZ-UHFFFAOYSA-N",385080,NA,"PDBC41223","676009","Present",NA,NA
+"41224","N-(2-Methoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide",NA,"COC1=CC=CC=C1NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O","ZXVIFYTUOVPUQV-UHFFFAOYSA-N",372006,NA,"PDBC41224","646822","Present",NA,NA
+"41225","N-(2-Methoxyphenyl)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyphenyl)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,"COC1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3N=C2","NWFMBAXAWLVUCR-UHFFFAOYSA-N",373344,NA,"PDBC41225","649560","Present",NA,NA
+"41226","N-(2-Methoxyphenyl)-3-oxo-3-(2-(2-oxo-2-((5-phenyl-1,3,4-oxadiazol-2-yl)amino)ethyl)hydrazino)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyphenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl]hydrazinyl]propanamide",NA,"COC1=CC=CC=C1NC(=O)CC(=O)NNCC(=O)NC2=NN=C(O2)C3=CC=CC=C3","KPPOTKDYPBPFRW-UHFFFAOYSA-N",369999,NA,"PDBC41226","642563","Present",NA,NA
+"41227","N-(2-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,"COC1=CC=CC=C1NC(=O)CC(=O)N2C(CC(=N2)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6","UDSJBKMIQIVQFY-UHFFFAOYSA-N",389696,NA,"PDBC41227","686240","Present",NA,NA
+"41228","N-(2-Methoxyphenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyphenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide",NA,"COC1=CC=CC=C1NC(=O)CC(=O)NNCC(=O)NC2=NC(=CS2)C3=CC=CC=C3","LYLLOCCKVDDWBX-UHFFFAOYSA-N",357548,NA,"PDBC41228","617012","Present",NA,NA
+"41229","N-(2-Methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,"CC1C(C2=CC3=C(C=C2OC1NC4=CC=CC=C4OC)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","VADYNSKBISMIIG-UHFFFAOYSA-N",384848,NA,"PDBC41229","675366","Present",NA,NA
+"41230","N-(2-Methoxyphenyl)-N'-(4-methyl-2-pyridinyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Methoxyphenyl)-3-(4-methyl-2-pyridyl)thiourea",NA,"CC1=CC(=NC=C1)NC(=S)NC2=CC=CC=C2OC","GQIGXZSDBVMKHO-UHFFFAOYSA-N",3005370,NA,"PDBC41230","695058","Present",NA,NA
+"41231","N-(2-Methoxyphenyl)furo[3,2-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methoxyphenyl)furo[3,2-c]quinolin-4-amine",NA,"COC1=CC=CC=C1NC2=NC3=CC=CC=C3C4=C2C=CO4","XWBOIHIZWRJEIB-UHFFFAOYSA-N",24203911,NA,"PDBC41231","730141","Present",NA,NA
+"41232","N-(2-Methyl-1,1-dioxido-7-pentyl-2,7-dihydroimidazo[4,5-e][1,2,4]thiadiazin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methyl-1,1-dioxido-7-pentyl-2,7-dihydroimidazo[4,5-e][1,2,4]thiadiazin-3-yl)benzamide",NA,"CCCCCN1C=NC2=C1S(=O)(=O)N(C(=N2)NC(=O)C3=CC=CC=C3)C","UGHBZMXBKXIHPO-UHFFFAOYSA-N",375569,NA,"PDBC41232","655356","Present",NA,NA
+"41233","N-(2-Methyl-1-prop-2-enylbenzimidazol-5-yl)-2-pyrrolidin-1-yl-7H-purin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-allyl-2-methyl-1H-benzo[d]imidazol-5-yl)-2-(pyrroli...",NA,"CC1=NC2=C(N1CC=C)C=CC(=C2)NC3=NC(=NC4=C3NC=N4)N5CCCC5","SDYFRFXOCIXTPQ-UHFFFAOYSA-N",155808468,NA,"PDBC41233","778814","Present",NA,NA
+"41234","N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)-2-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)-2-nitrobenzamide",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=C3[N+](=O)[O-]","MUXGECPMCVCODZ-UHFFFAOYSA-N",376421,NA,"PDBC41234","657335","Present",NA,NA
+"41235","N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)-4-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)-4-nitrobenzamide",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","UEXMKVOJEFTHOK-UHFFFAOYSA-N",376427,NA,"PDBC41235","657341","Present",NA,NA
+"41236","N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methyl-4-oxoquinazolin-3(4H)-yl)pyridine-2-carboxamide",NA,"CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=CC=CC=N3","RNYVKKOWKAVEAH-UHFFFAOYSA-N",376418,NA,"PDBC41236","657332","Present",NA,NA
+"41237","N-(2-Methyl-6-neopentylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2,2-Dimethylpropyl)-6-methylphenyl]-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"CC1=C(C(=CC=C1)CC(C)(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","MPZDCDNOZWMXGR-UHFFFAOYSA-N",369456,NA,"PDBC41237","641226","Present",NA,NA
+"41238","N-(2-Methyl-9,10-dioxoanthracen-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl)acetamide",NA,"CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)NC(=O)C","LGEHJBUXJXWUHV-UHFFFAOYSA-N",363560,NA,"PDBC41238","628524","Present",NA,NA
+"41239","N-(2-Methylbutan-2-yl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL382134",NA,"CCC(C)(C)NS(=O)(=O)C1=CC=CC=C1","REOBTHQZMVAVFT-UHFFFAOYSA-N",363138,NA,"PDBC41239","627720","Present",NA,NA
+"41240","N-(2-Methylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2CCOC2=O","WGHWKQDRPHCWIB-UHFFFAOYSA-N",361009,NA,"PDBC41240","623742","Present",NA,NA
+"41241","N-(2-Methylphenyl)-2,4-dioxo-4-(3,6,7-trimethyl-1,4-dioxidoquinoxalin-2-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-2,4-dioxo-4-(3,6,7-trimethyl-1,4-dioxidoquinoxalin-2-yl)butanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=C(N(C3=C([N+]2=O)C=C(C(=C3)C)C)[O-])C","HWGJBSUQDFKGBD-UHFFFAOYSA-N",364311,NA,"PDBC41241","630329","Present",NA,NA
+"41242","N-(2-Methylphenyl)-2,4-dioxodecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-2,4-dioxodecanamide",NA,"CCCCCCC(=O)CC(=O)C(=O)NC1=CC=CC=C1C","RTIAFNCIZWUYPW-UHFFFAOYSA-N",366975,NA,"PDBC41242","636137","Present",NA,NA
+"41243","N-(2-Methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=CC=CC=C1NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","RVFIOMHKARCXSS-UHFFFAOYSA-N",366124,NA,"PDBC41243","634411","Present",NA,NA
+"41244","N-(2-Methylphenyl)-2-(2-(2-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazino)-1,3-thiazol-4-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(o-Tolyl)-2-[2-[(2Z)-2-(2-oxoindolin-3-ylidene)hydrazino]thiazol-4-yl]acetamide",NA,"CC1=CC=CC=C1NC(=O)CC2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O","SDJLRUIZKOGSLL-UHFFFAOYSA-N",376659,NA,"PDBC41244","657705","Present",NA,NA
+"41245","N-(2-Methylphenyl)-2-[2-[(2E)-2-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinyl]-1,3-thiazol-4-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-2-[2-[(2E)-2-[(5Z)-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinyl]-1,3-thiazol-4-yl]acetamide",NA,"CC1=CC=CC=C1NC(=O)CC2=CSC(=N2)NN=C3NC(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])S3","RPLXSTBXRCHYRF-ZDLGFXPLSA-N",135499371,NA,"PDBC41245","657586","Present",NA,NA
+"41246","N-(2-Methylphenyl)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,"CC1=CC=CC=C1NC(=O)C(=O)CC2=NC3=CC=CC=C3N=C2","GNHMBPXFHTXCKS-UHFFFAOYSA-N",373371,NA,"PDBC41246","649585","Present",NA,NA
+"41247","N-(2-Methylphenyl)-3-(((4-methylphenyl)sulfonyl)hydrazono)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-3-(((4-methylphenyl)sulfonyl)hydrazono)butanamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CC(=O)NC2=CC=CC=C2C","WJXIJKIQGFAWPZ-HKWRFOASSA-N",6148860,NA,"PDBC41247","641850","Present",NA,NA
+"41248","N-(2-Methylphenyl)-3-oxo-2-((E)-{4-[(2H-1,3,2-thiazaboret-2-ylamino)sulfonyl]cyclohexyl}diazenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-3-oxo-2-[[4-(1,3,2-thiazaboret-2-ylsulfamoyl)cyclohexyl]diazenyl]butanamide",NA,"B1(N=CS1)NS(=O)(=O)C2CCC(CC2)N=NC(C(=O)C)C(=O)NC3=CC=CC=C3C","LFZKXFUHAOGLCE-UHFFFAOYSA-N",366800,NA,"PDBC41248","635572","Present",NA,NA
+"41249","N-(2-Methylphenyl)-3-oxo-3-(2-(2-oxo-2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)ethyl)hydrazino)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]hydrazinyl]propanamide",NA,"CC1=CC=CC=C1NC(=O)CC(=O)NNCC(=O)NC2=NN=C(S2)C3=CC=CC=C3","AXBFUQATCBRZIX-UHFFFAOYSA-N",370000,NA,"PDBC41249","642564","Present",NA,NA
+"41250","N-(2-Methylphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,"CC1=CC=CC=C1NC(=O)CC(=O)N2C(CC(=N2)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6","FDSOQKMHBIZRKI-UHFFFAOYSA-N",357545,NA,"PDBC41250","617009","Present",NA,NA
+"41251","N-(2-Methylphenyl)-4-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-(2-methylphenyl)-4-nitro- (9CI)",NA,"CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","QEPSIRAPSOKGGM-UHFFFAOYSA-N",98692,NA,"PDBC41251","159384","Present",NA,NA
+"41252","N-(2-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea",NA,"CC1=CC=CC=C1NC(=O)NC(C(F)(F)F)(C(F)(F)F)OC","LAQNWRSMAJHEGX-UHFFFAOYSA-N",383551,NA,"PDBC41252","671969","Present",NA,NA
+"41253","N-(2-Methylphenyl)-N'-(2-pyridinyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UI2QGI8F4T",NA,"CC1=CC=CC=C1NC(=S)NC2=CC=CC=N2","NWZAUKPEJKZNCA-UHFFFAOYSA-N",686648,NA,"PDBC41253","143348","Present",NA,NA
+"41254","N-(2-Methylpropyl)-2-phenylquinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-isobutyl-2-phenyl-4-quinazolinamine isobutyl(2-phenyl...",NA,"CC(C)CNC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3","HQOYWBCXUCFOME-UHFFFAOYSA-N",719700,NA,"PDBC41254","727895","Present",NA,NA
+"41255","N-(2-Morpholin-4-ylethyl)-9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Morpholin-4-ylethyl)-9-oxo-2-thia-11,14-diazatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7,12,14,16-heptaene-13-carboxamide",NA,"C1COCCN1CCNC(=O)C2=CN3C(=N2)C=CC4=C3C(=O)C5=CC=CC=C5S4","OANFPOKXGACZOV-UHFFFAOYSA-N",385055,NA,"PDBC41255","675984","Present",NA,NA
+"41256","N-(2-Naphthyl)-2-oxocyclopentanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Naphthyl)-2-oxocyclopentanecarboxamide",NA,"C1CC(C(=O)C1)C(=O)NC2=CC3=CC=CC=C3C=C2","OSFFFMWAXURKPD-UHFFFAOYSA-N",259144,NA,"PDBC41256","88795","Present",NA,NA
+"41257","N-(2-Naphthyl)-3-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_010011",NA,"CC(=O)CC(=O)NC1=CC2=CC=CC=C2C=C1","SJZXYYGWOBQVKI-UHFFFAOYSA-N",296093,NA,"PDBC41257","165883","Present",NA,NA
+"41258","N-(2-Naphthyl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Naphthyl)methanesulfonamide",NA,"CS(=O)(=O)NC1=CC2=CC=CC=C2C=C1","GCUBKBSOPVVMBJ-UHFFFAOYSA-N",384294,NA,"PDBC41258","673911","Present",NA,NA
+"41259","N-(2-Oxetanylmethyl)-N-tritylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Oxetanylmethyl)-N-tritylamine",NA,"C1COC1CNC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","BUTSHKRIRGZUNO-UHFFFAOYSA-N",390243,NA,"PDBC41259","687535","Present",NA,NA
+"41260","N-(2-Oxo-1-(5-(trityloxymethyl)tetrahydro-furan-2-yl)-1,2-dihydropyrimidin-4-yl) benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-oxo-1-(5-(trityloxymethyl)tetrahydro-furan-2-yl)-1,...",NA,"C1CC(OC1COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6","QLBKLOJMSPQINQ-UHFFFAOYSA-N",357105,NA,"PDBC41260","614938","Present",NA,NA
+"41261","N-(2-Oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-2,2-diphenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-2,2-diphenylacetamide",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)NC3C=NC4=CC=CC=C4NC3=O","LHYQKIKOSPTFDN-UHFFFAOYSA-N",367241,NA,"PDBC41261","636785","Present",NA,NA
+"41262","N-(2-Oxocyclopentyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.566.573K",NA,"C1CC(C(=O)C1)NC(=O)C2=CC=CC=C2","LKDSXOOCUUMKMB-UHFFFAOYSA-N",357960,NA,"PDBC41262","617635","Present",NA,NA
+"41263","N-(2-Phenoxy-acetyl)-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Enamine_005956",NA,"C1=CC=C(C=C1)OCC(=O)NS(=O)(=O)C2=CC=CC=C2","AFSCGULGQRZVKD-UHFFFAOYSA-N",357770,NA,"PDBC41263","617293","Present",NA,NA
+"41264","N-(2-Phenyl-7-(trifluoromethyl)-3-((3,4,5-trimethoxybenzyl)amino)-5-quinoxalinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Phenyl-7-(trifluoromethyl)-3-((3,4,5-trimethoxybenzyl)amino)-5-quinoxalinyl)acetamide",NA,"CC(=O)NC1=CC(=CC2=C1N=C(C(=N2)C3=CC=CC=C3)NCC4=CC(=C(C(=C4)OC)OC)OC)C(F)(F)F","BOWSLYROWDLPPJ-UHFFFAOYSA-N",369884,NA,"PDBC41264","642078","Present",NA,NA
+"41265","N-(2-Phenylethyl)-4-[[(3-phenylmethacryloyl)amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Phenylethyl)-4-[[(3-phenylmethacryloyl)amino]methyl]benzamide",NA,"CC(=CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3","JMYBQJVKWWYLAZ-CZIZESTLSA-N",5470459,NA,"PDBC41265","702104","Present",NA,NA
+"41266","N-(2-Phenylethyl)-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Phenylethyl)-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4","WUSMZWPYQALYTC-HMMYKYKNSA-N",5470466,NA,"PDBC41266","702112","Present",NA,NA
+"41267","N-(2-Phenylethyl)-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Phenylethyl)-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)C4=CC=CC=C4","YNXAXPMHYONYKL-HMMYKYKNSA-N",5470463,NA,"PDBC41267","702109","Present",NA,NA
+"41268","N-(2-Phenylethyl)-4-[[[3-(2-phenylthiazole-4-yl)acryloyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Phenylethyl)-4-[[[3-(2-phenylthiazole-4-yl)acryloyl]amino]methyl]benzamide",NA,"C1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CSC(=N3)C4=CC=CC=C4","YQJPNSCXSQHZSY-FOCLMDBBSA-N",5470485,NA,"PDBC41268","702131","Present",NA,NA
+"41269","N-(2-Phenylsulfanylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2AcNHPh-S-Ph",NA,"CC(=O)NC1=CC=CC=C1SC2=CC=CC=C2","UYBXGTHDRYRWFD-UHFFFAOYSA-N",365383,NA,"PDBC41269","632996","Present",NA,NA
+"41270","N-(2-Piperazin-1-ylethyl)-11H-indolo[3,2-c]quinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Piperazin-1-ylethyl)-11H-indolo[3,2-c]quinolin-6-amine",NA,"C1CN(CCN1)CCNC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4","NTOBLLFSZMNFMP-UHFFFAOYSA-N",24205772,NA,"PDBC41270","736607","Present",NA,NA
+"41271","N-(2-Propynyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Propynyl)cysteine",NA,"C#CCNC(CS)C(=O)O","WQDUFAAEIWFXPR-UHFFFAOYSA-N",393711,NA,"PDBC41271","696224","Present",NA,NA
+"41272","N-(2-Propynyl)histidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Propynyl)histidine",NA,"C#CCNC(CC1=CN=CN1)C(=O)O","SVZLFLOVBBGVRX-UHFFFAOYSA-N",393258,NA,"PDBC41272","694896","Present",NA,NA
+"41273","N-(2-Pyridin-2-ylethyl)pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-(2-Pyridinyl)ethyl)-2-pyridinamine",NA,"C1=CC=NC(=C1)CCNC2=CC=CC=N2","SNTUYLQKOKQEEZ-UHFFFAOYSA-N",238326,NA,"PDBC41273","42655","Present",NA,NA
+"41274","N-(2-Pyridyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-5,5-dioxo-N-pyridin-2-ylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,"C1=CC=NC(=C1)NC(=O)C2=CC3=C(C=C2Cl)SC4=NC=CN4S3(=O)=O","VRLSWQCEDYQGFQ-UHFFFAOYSA-N",397026,NA,"PDBC41274","704308","Present",NA,NA
+"41275","N-(2-Pyridylmethyl)piperazine-1-ethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5843465",NA,"C1CN(CCN1)CCNCC2=CC=CC=N2","KRQSKMDJMSKNLA-UHFFFAOYSA-N",81406,NA,"PDBC41275","66183","Present",NA,NA
+"41276","N-(2-Quinoxalin-2-ylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Quinoxalin-2-ylphenyl)acetamide",NA,"CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N=C2","ATPYXZAYVGPFKV-UHFFFAOYSA-N",360051,NA,"PDBC41276","621849","Present",NA,NA
+"41277","N-(2-SCoA-tetradecanoyl)glycinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-SCoA-tetradecanoyl)glycinamide",NA,"CCCCCCCCCCCCC(C(=O)NCC(=O)N)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O.[Na+]","RSBFHSCBERFYON-UHFFFAOYSA-N",54608767,NA,"PDBC41277","630197","Present",NA,NA
+"41278","N-(2-Sec-butyl-6-ethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Sec-butyl-6-ethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CCC1=C(C(=CC=C1)C(C)CC)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","RTYTZKFPQZDHRQ-UHFFFAOYSA-N",365373,NA,"PDBC41278","632959","Present",NA,NA
+"41279","N-(2-Sec-butyl-6-ethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Sec-butyl-6-ethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CCC1=C(C(=CC=C1)C(C)CC)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","KVDDCNDTBYRYTC-UHFFFAOYSA-N",366133,NA,"PDBC41279","634420","Present",NA,NA
+"41280","N-(2-Tert-Butyl-6-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-phenyl-5-hexenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-(2-Tert-butyl-6-methylphenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-6-phenylhex-5-enamide",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C=CC4=CC=CC=C4","FTTKFDCSVAEVNL-ZCXUNETKSA-N",6477321,NA,"PDBC41280","644785","Present",NA,NA
+"41281","N-(2-Tert-Butyl-6-methylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Tert-Butyl-6-methylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","FKSNZQTVRAYJFA-UHFFFAOYSA-N",366114,NA,"PDBC41281","634401","Present",NA,NA
+"41282","N-(2-Tert-Butyl-6-methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Tert-Butyl-6-methylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","NGHGZADNERPURJ-UHFFFAOYSA-N",360691,NA,"PDBC41282","623027","Present",NA,NA
+"41283","N-(2-Tert-Butyl-6-methylphenyl)-2-(3-chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-cyanoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene-1,4-dione, 2-chloro-3-[1-cyano-2-oxo-2- [[[6...",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(C#N)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","PKRKSUCAMNAULJ-UHFFFAOYSA-N",367604,NA,"PDBC41283","637436","Present",NA,NA
+"41284","N-(2-Tert-Butyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Tert-Butyl-6-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","PPTNRAQCNBPYMS-UHFFFAOYSA-N",366863,NA,"PDBC41284","635842","Present",NA,NA
+"41285","N-(2-Tert-Butyl-6-methylphenyl)-3-((2-methylene-4,6-dioxohexahydro-5-pyrimidinyl)methyl)-4-(2-naphthyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Tert-butyl-6-methylphenyl)-3-[(2-methylidene-4,6-dioxo-1,3-diazinan-5-yl)methyl]-4-naphthalen-2-yl-2,4-dioxobutanamide",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(CC2C(=O)NC(=C)NC2=O)C(=O)C3=CC4=CC=CC=C4C=C3","SLBUUJRUYLEZRZ-UHFFFAOYSA-N",373341,NA,"PDBC41285","649557","Present",NA,NA
+"41286","N-(2-Tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propanamide",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCC2=NNC(=S)O2","HKKYQFSPIDHKDH-UHFFFAOYSA-N",3004210,NA,"PDBC41286","636112","Present",NA,NA
+"41287","N-(2-Tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Tert-Butyl-6-methylphenyl)-3-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCC2=NC(=S)NN2","XHKIYRGTEHSTSI-UHFFFAOYSA-N",3004074,NA,"PDBC41287","625825","Present",NA,NA
+"41288","N-(2-Tert-Butyl-6-methylphenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Tert-Butyl-6-methylphenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)C(=O)C(C2=NC3=CC=CC=C3N=C2)[N+](=O)[O-]","UQSVDDAHQADYIA-UHFFFAOYSA-N",370953,NA,"PDBC41288","644758","Present",NA,NA
+"41289","N-(2-Tert-Butyl-6-methylphenyl)-4-(4-methyl-2-(4-toluidino)-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Tert-Butyl-6-methylphenyl)-4-(4-methyl-2-(4-toluidino)-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,"CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)(C)C)C)C","FTUDJWIZCGPYCT-UHFFFAOYSA-N",376630,NA,"PDBC41289","657660","Present",NA,NA
+"41290","N-(2-Tert-Butylphenyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4MePhSO2NH-t-BuPh",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C(C)(C)C","GUNSTMJVFNEAIB-UHFFFAOYSA-N",363139,NA,"PDBC41290","627721","Present",NA,NA
+"41291","N-(2-Tert-Butylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PhSO2NH-t-BuPh",NA,"CC(C)(C)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2","MLNNBGLQJAYKRO-UHFFFAOYSA-N",363140,NA,"PDBC41291","627722","Present",NA,NA
+"41292","N-(2-Tert-butyl-6-methylphenyl)-2-chloroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Kecaoan",NA,"CC1=C(C(=CC=C1)C(C)(C)C)NC(=O)CCl","JYNOTRFRRIKTHZ-UHFFFAOYSA-N",359786,NA,"PDBC41292","621350","Present",NA,NA
+"41293","N-(2-Thiazolyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-5,5-dioxo-N-(1,3-thiazol-2-yl)imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,"C1=CN2C(=N1)SC3=C(S2(=O)=O)C=C(C(=C3)Cl)C(=O)NC4=NC=CS4","APVGKIMMMFQLHM-UHFFFAOYSA-N",397030,NA,"PDBC41293","704312","Present",NA,NA
+"41294","N-(2-Thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Thioxo-2,3-dihydro-1H-benzimidazol-1-yl)acetamide",NA,"CC(=O)NN1C2=CC=CC=C2NC1=S","RDMBKLYCHNBUAK-UHFFFAOYSA-N",3005403,NA,"PDBC41294","697668","Present",NA,NA
+"41295","N-(2-[{6[1-(3,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl}oxy]ethyl)-ethyl]-1,3-benzodioxol-5-yl}-oxy]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-[{6[1-(3,4,5-Trimethoxyphenyl)ethyl]-1,3-benzodioxo...",NA,"CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCNC(=O)COC4=CC5=C(C=C4C(C)C6=CC(=C(C(=C6)OC)OC)OC)OCO5)OCO3","SGJDGNOUERDNGF-UHFFFAOYSA-N",372424,NA,"PDBC41295","647526","Present",NA,NA
+"41296","N-(2-{[3-(Diethylamino)propyl]carbamoyl}-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-{[3-(Diethylamino)propyl]carbamoyl}-1H-indol-5-yl)-5-nitro-1H-indole-2-carboxamide",NA,"CCN(CC)CCCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]","GBAYUOUZQMUUQQ-UHFFFAOYSA-N",5244164,NA,"PDBC41296","699143","Present",NA,NA
+"41297","N-(3',3,5(1 0)-Triene-3,17b-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3',4'-Dihydroxycinnamoyl)-17a-(aminomethyl)-estra-1,3...",NA,"CC12CCC3C(C1CCC2(CNC(=O)C=CC4=CC(=C(C=C4)O)O)O)CCC5=C3C=CC(=C5)O","PVMDSXBGJJZDOU-NWTVKOBKSA-N",24205489,NA,"PDBC41297","736043","Present",NA,NA
+"41298","N-(3',3,5(10)-Trien-17b-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3',4'-Dihydroxycinnamoyl-3-methoxy-17a-aminomethyl)-e...",NA,"CC12CCC3C(C1CCC2(CNC(=O)C=CC4=CC(=C(C=C4)O)O)O)CCC5=C3C=CC(=C5)OC","SLGOTVZDYWJTOU-ZTCDFVCCSA-N",24205474,NA,"PDBC41298","735947","Present",NA,NA
+"41299","N-(3,4,5-Trimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4,5-Trimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4","HHFPFOSTURBWLV-UHFFFAOYSA-N",385738,NA,"PDBC41299","677089","Present",NA,NA
+"41300","N-(3,4,5-Trimethoxybenzyl)acridin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LHMZYYJPJUUPSG-UHFFFAOYSA-N",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=C3C=CC=CC3=NC4=CC=CC=C42","LHMZYYJPJUUPSG-UHFFFAOYSA-N",383386,NA,"PDBC41300","671557","Present",NA,NA
+"41301","N-(3,4-Dichlorobenzyl)-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorobenzyl)-3-methyl-7-(trifluoromethyl)quinoxalin-2-amine",NA,"CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NCC3=CC(=C(C=C3)Cl)Cl","NWQSAZBYWQUMCN-UHFFFAOYSA-N",385740,NA,"PDBC41301","677091","Present",NA,NA
+"41302","N-(3,4-Dichlorophenyl)-2,4-dioxo-1-phenyl-3-pyrrolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Pyrrolidinecarboxamide, N-(3,4-dichlorophenyl)-2,4-dio...",NA,"C1C(=O)C(C(=O)N1C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl","YRWHBNJWWWTHNR-UHFFFAOYSA-N",341959,NA,"PDBC41302","376484","Present",NA,NA
+"41303","N-(3,4-Dichlorophenyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,"COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","OAKAJDHFFQYYKP-UHFFFAOYSA-N",364953,NA,"PDBC41303","631839","Present",NA,NA
+"41304","N-(3,4-Dichlorophenyl)-3-(2-thienyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-3-(2-thienyl)-2-quinoxalinamine",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC(=C(C=C3)Cl)Cl)C4=CC=CS4","GEWGSMNVDSQSSO-UHFFFAOYSA-N",367576,NA,"PDBC41304","637409","Present",NA,NA
+"41305","N-(3,4-Dichlorophenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-3-(5-thioxo-2,5-dihydro-1H-1,2,4-triazol-3-yl)propanamide",NA,"C1=CC(=C(C=C1NC(=O)CCC2=NC(=S)NN2)Cl)Cl","WXDTZEALPYXLIP-UHFFFAOYSA-N",3004072,NA,"PDBC41305","625823","Present",NA,NA
+"41306","N-(3,4-Dichlorophenyl)-3-(6-(4-(hydroxy(oxido)amino)benzylidene)-5-oxo-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-3-[(6Z)-6-[(4-nitrophenyl)methylidene]-5-oxo-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide",NA,"C1=CC(=CC=C1C=C2C(=O)N3C(=NN=C3S2)CCC(=O)NC4=CC(=C(C=C4)Cl)Cl)[N+](=O)[O-]","AADOIMISQIGMMK-SXGWCWSVSA-N",5387699,NA,"PDBC41306","625830","Present",NA,NA
+"41307","N-(3,4-Dichlorophenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-3-nitro-2-oxo-3-(3-oxo-1H-2-benzofuran-1-yl)propanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]","IJLXMTZKWYAOTD-UHFFFAOYSA-N",372881,NA,"PDBC41307","648593","Present",NA,NA
+"41308","N-(3,4-Dichlorophenyl)-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Quinoxalineamine, N-(3,4-dichlorophenyl)-3-phenyl-6- t...",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2NC4=CC(=C(C=C4)Cl)Cl","XKGROWNDYQUOML-UHFFFAOYSA-N",367577,NA,"PDBC41308","637410","Present",NA,NA
+"41309","N-(3,4-Dichlorophenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2,4-dioxobutanamide",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl","BJEIQZSENBNLIJ-UHFFFAOYSA-N",370950,NA,"PDBC41309","644755","Present",NA,NA
+"41310","N-(3,4-Dichlorophenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2-(methylhydrazono)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(3,4-Dichlorophenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2-(methylhydrazinylidene)-4-oxobutanamide",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(=NNC)C(=O)NC5=CC(=C(C=C5)Cl)Cl","HZALSSOMBXGOSR-LAKKEJQSSA-N",9571292,NA,"PDBC41310","641431","Present",NA,NA
+"41311","N-(3,4-Dichlorophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl","OYQRUSYPABDFAO-UHFFFAOYSA-N",369253,NA,"PDBC41311","640984","Present",NA,NA
+"41312","N-(3,4-Dichlorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=O)N1)C2=CC=CC=C2O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","YUSBEJKHPKZOJC-UHFFFAOYSA-N",24203844,NA,"PDBC41312","729780","Present",NA,NA
+"41313","N-(3,4-Dichlorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","GHOBITXPHSKDFC-UHFFFAOYSA-N",24203843,NA,"PDBC41313","729779","Present",NA,NA
+"41314","N-(3,4-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","UJLGVJZLHAQVKI-UHFFFAOYSA-N",364321,NA,"PDBC41314","630337","Present",NA,NA
+"41315","N-(3,4-Dichlorophenyl)-4-[(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-4-[(2E)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=NC(=O)N1)NN=CC2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC(=C(C=C3)Cl)Cl","DUOXYBJYDNDANW-KTZMUZOWSA-N",9556166,NA,"PDBC41315","666977","Present",NA,NA
+"41316","N-(3,4-Dichlorophenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide",NA,"COC1=CC=C(C=C1)C(C(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC=C(C=C3)OC","QLLVXYCAWAGOJR-UHFFFAOYSA-N",364943,NA,"PDBC41316","631829","Present",NA,NA
+"41317","N-(3,4-Dichlorophenyl)-5-isobutyryl-4-oxononanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-5-isobutyryl-4-oxononanamide",NA,"CCCCC(C(=O)CCC(=O)NC1=CC(=C(C=C1)Cl)Cl)C(=O)C(C)C","UTWHOSCCYVVCED-UHFFFAOYSA-N",365046,NA,"PDBC41317","632004","Present",NA,NA
+"41318","N-(3,4-Dichlorophenyl)-6-(2-naphthyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-6-(2-naphthyl)-4,6-dioxohexanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)CCC(=O)NC3=CC(=C(C=C3)Cl)Cl","PVFGIKZMXSWZHW-UHFFFAOYSA-N",364940,NA,"PDBC41318","631826","Present",NA,NA
+"41319","N-(3,4-Dichlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide",NA,"C1=CC(=CC=C1C(=O)CC(=O)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)F","IFIGIHGBBDXHFN-UHFFFAOYSA-N",364925,NA,"PDBC41319","631811","Present",NA,NA
+"41320","N-(3,4-Dichlorophenyl)-6-methyl-2,4-dioxo-5-heptenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-6-methyl-2,4-dioxo-5-heptenamide",NA,"CC(=CC(=O)CC(=O)C(=O)NC1=CC(=C(C=C1)Cl)Cl)C","IMNDSGZTCQEOTJ-UHFFFAOYSA-N",366634,NA,"PDBC41320","635309","Present",NA,NA
+"41321","N-(3,4-Dichlorophenyl)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl","VBHZRSBZWQJFFI-UHFFFAOYSA-N",24203846,NA,"PDBC41321","729782","Present",NA,NA
+"41322","N-(3,4-Dichlorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl","ORQHQFLFZFJGKY-UHFFFAOYSA-N",24203842,NA,"PDBC41322","729778","Present",NA,NA
+"41323","N-(3,4-Dichlorophenyl)-N''-{4-methyl-6-[4-(pyrrolidin-1-yl)piperidin-1-yl]pyrimidin-2-yl}guanidine--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4-Dichlorophenyl)-2-[4-methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]guanidine;hydrochloride",NA,"CC1=CC(=NC(=N1)N=C(N)NC2=CC(=C(C=C2)Cl)Cl)N3CCC(CC3)N4CCCC4.Cl","OABOYODITAPJHH-UHFFFAOYSA-N",54610138,NA,"PDBC41323","142537","Present",NA,NA
+"41324","N-(3,4-Dichlorophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dichlorophenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=CC(=C(C=C3)Cl)Cl","RQGKHTOCPXJEEE-UHFFFAOYSA-N",3000680,NA,"PDBC41324","644759","Present",NA,NA
+"41325","N-(3,4-Dichlorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3',4'-Dichloroacetanilide",NA,"CC(=O)NC1=CC(=C(C=C1)Cl)Cl","SCYGGCAQZFJGRF-UHFFFAOYSA-N",16530,NA,"PDBC41325","30069","Present",NA,NA
+"41326","N-(3,4-Dichlorophenyl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK347168",NA,"C1=CC(=C(C=C1NCC(=O)O)Cl)Cl","BBWWOXQXCLAUKG-UHFFFAOYSA-N",351250,NA,"PDBC41326","520114","Present",NA,NA
+"41327","N-(3,4-Difluorophenyl)-2-(3,4,5-trimethoxyanilino)quinoline-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-difluorophenyl)-2-(3,4,5-trimethoxyphenylamino)qu...",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3C=C2C(=O)NC4=CC(=C(C=C4)F)F","JZHHFDXFWVIQMN-UHFFFAOYSA-N",155811609,NA,"PDBC41327","780193","Present",NA,NA
+"41328","N-(3,4-Difluorophenyl)-5,5-dimethyl-4H-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Difluorophenyl)-5,5-dimethyl-4H-thiazol-2-amine",NA,"CC1(CN=C(S1)NC2=CC(=C(C=C2)F)F)C","WFWZNZTXYSVADS-UHFFFAOYSA-N",389118,NA,"PDBC41328","684803","Present",NA,NA
+"41329","N-(3,4-Difluorophenyl)-6-(3-morpholin-4-ylpropoxy)quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-difluorophenyl)-6-(3-morpholinopropoxy)quinolin-2...",NA,"C1COCCN1CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=C(C=C4)F)F","DMDMFJPBIYDEMF-UHFFFAOYSA-N",155806927,NA,"PDBC41329","783703","Present",NA,NA
+"41330","N-(3,4-Difluorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-difluorophenyl)-6-(3-(4-methylpiperazin-1-yl)prop...",NA,"CN1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=C(C=C4)F)F","HJLHQUFWFMJWLV-UHFFFAOYSA-N",155805445,NA,"PDBC41330","784158","Present",NA,NA
+"41331","N-(3,4-Difluorophenyl)-N-(5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-yl)-N'-phenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Difluorophenyl)-N-(5-(iodomethyl)-4,5-dihydro-1,3-thiazol-2-yl)-N'-phenylurea",NA,"C1C(SC(=N1)N(C2=CC(=C(C=C2)F)F)C(=O)NC3=CC=CC=C3)CI","OQGRAJCEHJNNDO-UHFFFAOYSA-N",383610,NA,"PDBC41331","672028","Present",NA,NA
+"41332","N-(3,4-Dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1,3-oxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dihydro-2H-thiochromen-4-yl)-4,5-dihydro-1,3-oxazol-2-amine",NA,"C1CSC2=CC=CC=C2C1NC3=NCCO3","YEGCWAQTPNEBHN-UHFFFAOYSA-N",379670,NA,"PDBC41332","664548","Present",NA,NA
+"41333","N-(3,4-Dihydropyrimido[2,1-a]isoindol-6(2H)-ylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dihydropyrimido[2,1-a]isoindol-6(2H)-ylidene)aniline",NA,"C1CN=C2C3=CC=CC=C3C(=NC4=CC=CC=C4)N2C1","NJSKMDFEJOPUFY-UHFFFAOYSA-N",365486,NA,"PDBC41333","633119","Present",NA,NA
+"41334","N-(3,4-Dihydroxystyryl)Formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dihydroxystyryl)Formamide",NA,"C1=CC(=C(C=C1C=CNC=O)O)O","DBIMWULYZNNEPY-ONEGZZNKSA-N",5388682,NA,"PDBC41334","638084","Present",NA,NA
+"41335","N-(3,4-Dimethoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine",NA,"COC1=C(C=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C4=CC=CS4)OC","WTBCDJJINDHSQZ-UHFFFAOYSA-N",367580,NA,"PDBC41335","637413","Present",NA,NA
+"41336","N-(3,4-Dimethoxybenzyl)-3-methyl-7-(trifluoromethyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethoxybenzyl)-3-methyl-7-(trifluoromethyl)-2-quinoxalinamine",NA,"CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NCC3=CC(=C(C=C3)OC)OC","XMNMLMWPPKZDKW-UHFFFAOYSA-N",369882,NA,"PDBC41336","642076","Present",NA,NA
+"41337","N-(3,4-Dimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethoxybenzyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine",NA,"COC1=C(C=C(C=C1)CNC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","FXIBESCKPNGQDQ-UHFFFAOYSA-N",367582,NA,"PDBC41337","637415","Present",NA,NA
+"41338","N-(3,4-Dimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethoxybenzyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine",NA,"COC1=C(C=C(C=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","VAFKVBKCPAEJSZ-UHFFFAOYSA-N",388000,NA,"PDBC41338","682363","Present",NA,NA
+"41339","N-(3,4-Dimethoxycinnamyl)-N-methyl-N-(2-phenylethyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethoxycinnamyl)-N-methyl-N-(2-phenylethyl)amine",NA,"CN(CCC1=CC=CC=C1)CC=CC2=CC(=C(C=C2)OC)OC","FUZHNUFZOJGOGA-JXMROGBWSA-N",5387772,NA,"PDBC41339","626952","Present",NA,NA
+"41340","N-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2-quinoxalinamine",NA,"COC1=C(C=C(C=C1)NC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","RRHPVMRCWDRXGV-UHFFFAOYSA-N",364820,NA,"PDBC41340","631580","Present",NA,NA
+"41341","N-(3,4-Dimethoxyphenyl)-3-phenyl-7-(trifluoromethyl)quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethoxyphenyl)-3-phenyl-7-(trifluoromethyl)-2-quinoxalinamine",NA,"COC1=C(C=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C4=CC=CC=C4)OC","RBMZDSKTWJOOPZ-UHFFFAOYSA-N",364821,NA,"PDBC41341","631581","Present",NA,NA
+"41342","N-(3,4-Dimethoxyphenyl)-3-thiophen-2-ylquinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethoxyphenyl)-3-thiophen-2-ylquinoxalin-2-amine",NA,"COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4)OC","FUBWRZWRIHSYTF-UHFFFAOYSA-N",379473,NA,"PDBC41342","664027","Present",NA,NA
+"41343","N-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethoxyphenyl)-7-(trifluoromethyl)pyrrolo[1,2-a]quinoxalin-4-amine",NA,"COC1=C(C=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4)OC","PVVPSMDBFXIADX-UHFFFAOYSA-N",400210,NA,"PDBC41343","711728","Present",NA,NA
+"41344","N-(3,4-Dimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethoxyphenyl)pyrrolo[1,2-a]quinoxalin-4-amine",NA,"COC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3N4C2=CC=C4)OC","KSEPMMWCTARMLW-UHFFFAOYSA-N",400206,NA,"PDBC41344","711724","Present",NA,NA
+"41345","N-(3,4-Dimethylphenyl)-2,4-dioxo-4-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-2,4-dioxo-4-phenylbutanamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=CC=CC=C2)C","YMANLNWAROTDNQ-UHFFFAOYSA-N",366964,NA,"PDBC41345","636126","Present",NA,NA
+"41346","N-(3,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O)C","TYKMYTNMJZZHHO-UHFFFAOYSA-N",366126,NA,"PDBC41346","634413","Present",NA,NA
+"41347","N-(3,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O)C","AVEZFKOVNPWMRE-UHFFFAOYSA-N",366119,NA,"PDBC41347","634406","Present",NA,NA
+"41348","N-(3,4-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)C2C(=NN(C2=O)C3=CC=CC=C3)N)C","GMQWBTLZRPUVPZ-UHFFFAOYSA-N",360356,NA,"PDBC41348","622414","Present",NA,NA
+"41349","N-(3,4-Dimethylphenyl)-2-carbamoylthioacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_045947",NA,"CC1=C(C=C(C=C1)NC(=O)CSC(=O)N)C","ANOGWOBXOCFAEU-UHFFFAOYSA-N",224674,NA,"PDBC41349","13354","Present",NA,NA
+"41350","N-(3,4-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)C","GGCGGTFQEQKTIA-UHFFFAOYSA-N",371841,NA,"PDBC41350","646359","Present",NA,NA
+"41351","N-(3,4-Dimethylphenyl)-3-(1-oxidopyridin-1-ium-2-yl)-2-oxo-propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-3-(1-oxidopyridin-1-ium-2-yl)-2-oxo-propanamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)CC2=CC=CC=[N+]2[O-])C","RPINTFYAOOTVOZ-UHFFFAOYSA-N",495243,NA,"PDBC41351","646354","Present",NA,NA
+"41352","N-(3,4-Dimethylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-(methylhydrazono)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-(methylhydrazono)propanamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=NNC)CC2=C(C(=O)C=CO2)O)C","PTOCXYBVBKGVTA-MOSHPQCFSA-N",5899357,NA,"PDBC41352","641439","Present",NA,NA
+"41353","N-(3,4-Dimethylphenyl)-3-(diphenylhydrazono)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-3-(diphenylhydrazono)butanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CC(=NN(C2=CC=CC=C2)C3=CC=CC=C3)C)C","BMWJCSPCYXSCLC-LHLOQNFPSA-N",9571308,NA,"PDBC41353","641871","Present",NA,NA
+"41354","N-(3,4-Dimethylphenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2CC(=O)CCC2=O)C","LQXRUCLQFCCPQP-UHFFFAOYSA-N",364936,NA,"PDBC41354","631822","Present",NA,NA
+"41355","N-(3,4-Dimethylphenyl)-4-(2-((3-hydroxy-2-naphthoyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-4-(2-((3-hydroxy-2-naphthoyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2CC(=O)CCC2=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C","DWOPCJAXIGCQEV-QCKNELIISA-N",9569938,NA,"PDBC41355","625894","Present",NA,NA
+"41356","N-(3,4-Dimethylphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C)C","GLHGAGACPFMCPL-UHFFFAOYSA-N",364334,NA,"PDBC41356","630349","Present",NA,NA
+"41357","N-(3,4-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C)C","IDKWPRGMTUJTHN-UHFFFAOYSA-N",366965,NA,"PDBC41357","636127","Present",NA,NA
+"41358","N-(3,4-Dimethylphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4)C","RFGJFIQFIVPWEU-UHFFFAOYSA-N",369466,NA,"PDBC41358","641236","Present",NA,NA
+"41359","N-(3,4-Dimethylphenyl)-4-oxo-4-(1-oxo-2,3-dihydro-1H-inden-2-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-4-oxo-4-(1-oxo-2,3-dihydro-1H-inden-2-yl)butanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=O)C2CC3=CC=CC=C3C2=O)C","JUVJLKVKKSCINI-UHFFFAOYSA-N",364264,NA,"PDBC41359","630281","Present",NA,NA
+"41360","N-(3,4-Dimethylphenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=O)C(C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC)C","JLUZYOAHEFUSSK-UHFFFAOYSA-N",364933,NA,"PDBC41360","631819","Present",NA,NA
+"41361","N-(3,4-Dimethylphenyl)-6-methyl-2,4-dioxohept-5-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,4-Dimethylphenyl)-6-methyl-2,4-dioxohept-5-enamide",NA,"CC1=C(C=C(C=C1)NC(=O)C(=O)CC(=O)C=C(C)C)C","WYVIJOOARWFZMR-UHFFFAOYSA-N",359174,NA,"PDBC41361","619854","Present",NA,NA
+"41362","N-(3,4-Dimethylphenyl)-Nalpha-(phenoxycarbonyl)tryptophanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ChemDiv1_017738",NA,"CC1=C(C=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC4=CC=CC=C4)C","PXVVFJKQJLSRKM-UHFFFAOYSA-N",402974,NA,"PDBC41362","717447","Present",NA,NA
+"41363","N-(3,5-Bis(trifluoromethyl)phenyl)-4-(3-pyridinyl)pyrrolo[1,2-a]quinoxaline-5(4H)-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[1,2-a]quinoxaline-5(4H)-carbothioamide, N-[3,5-b...",NA,"C1=CC=C2C(=C1)N3C=CC=C3C(N2C(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C5=CN=CC=C5","PAZLDCLXTQATBO-UHFFFAOYSA-N",5108890,NA,"PDBC41363","309881","Present",NA,NA
+"41364","N-(3,5-Dibenzhydryl-2-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dibenzhydryl-2-methylphenyl)acetamide",NA,"CC1=C(C=C(C=C1NC(=O)C)C(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5","UCUKAMKBWQGRMY-UHFFFAOYSA-N",345248,NA,"PDBC41364","402717","Present",NA,NA
+"41365","N-(3,5-Dichloro-2-hydroxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Acetamido-4,6-dichlorophenol",NA,"CC(=O)NC1=C(C(=CC(=C1)Cl)Cl)O","LLEDDIDLLAPZNE-UHFFFAOYSA-N",377212,NA,"PDBC41365","658448","Present",NA,NA
+"41366","N-(3,5-Dichloro-4-iodophenyl)-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dichloro-4-iodophenyl)-2,2,2-trifluoroacetamide",NA,"C1=C(C=C(C(=C1Cl)I)Cl)NC(=O)C(F)(F)F","FZJBUMCKTANPNR-UHFFFAOYSA-N",284558,NA,"PDBC41366","140395","Present",NA,NA
+"41367","N-(3,5-Dichlorobenzoyl)-N,4-diphenylpiperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dichlorobenzoyl)-N,4-diphenylpiperazine-1-carboxamide",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC(=CC(=C4)Cl)Cl","LAUGAEVNYFIMPB-UHFFFAOYSA-N",401354,NA,"PDBC41367","714666","Present",NA,NA
+"41368","N-(3,5-Dichlorophenyl)-3,7-dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dichlorophenyl)-3,7-dimethyl-5-oxo-1H-[1,2,4]triazolo[4,3-c]pyrimidine-8-carboxamide",NA,"CC1=C(C2=NN=C(N2C(=O)N1)C)C(=O)NC3=CC(=CC(=C3)Cl)Cl","XSRIRSKOYASZMJ-UHFFFAOYSA-N",135416664,NA,"PDBC41368","624944","Present",NA,NA
+"41369","N-(3,5-Dichlorophenyl)-3-(2-thienyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dichlorophenyl)-3-(2-thienyl)-2-quinoxalinamine",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC(=CC(=C3)Cl)Cl)C4=CC=CS4","CSDYWGJYKXYELR-UHFFFAOYSA-N",367574,NA,"PDBC41369","637407","Present",NA,NA
+"41370","N-(3,5-Dichlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-2-(isonicotinoylhydrazono)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dichlorophenyl)-3-(3-hydroxy-2-quinoxalinyl)-2-(isonicotinoylhydrazono)propanamide",NA,"C1=CC=C2C(=C1)NC(=O)C(=N2)CC(=NNC(=O)C3=CC=NC=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl","QUVWDVJCYZGEHK-TWKHWXDSSA-N",9574301,NA,"PDBC41370","646372","Present",NA,NA
+"41371","N-(3,5-Dichlorophenyl)-5-(3-morpholin-4-ylpropoxy)quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-dichlorophenyl)-5-(3-morpholinopropoxy)quinolin-2...",NA,"C1COCCN1CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=CC(=C4)Cl)Cl","LUOKMXSICJPBHU-UHFFFAOYSA-N",155812100,NA,"PDBC41371","781642","Present",NA,NA
+"41372","N-(3,5-Dichlorophenyl)-5-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-dichlorophenyl)-5-(3-(4-methylpiperazin-1-yl)prop...",NA,"CN1CCN(CC1)CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=CC(=C4)Cl)Cl","ODKDLBVISGJCJS-UHFFFAOYSA-N",155805383,NA,"PDBC41372","781646","Present",NA,NA
+"41373","N-(3,5-Dichlorophenyl)-6-(3-morpholin-4-ylpropoxy)quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-dichlorophenyl)-6-(3-morpholinopropoxy)quinolin-2...",NA,"C1COCCN1CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=CC(=C4)Cl)Cl","PKZGVVYHTDQDOZ-UHFFFAOYSA-N",155810638,NA,"PDBC41373","784159","Present",NA,NA
+"41374","N-(3,5-Dichlorophenyl)-6-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-dichlorophenyl)-6-(3-(4-methylpiperazin-1-yl)prop...",NA,"CN1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=CC(=C4)Cl)Cl","QQKWOQOEIUOZDZ-UHFFFAOYSA-N",155813636,NA,"PDBC41374","783704","Present",NA,NA
+"41375","N-(3,5-Dicyano-2,4-bis(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-2,4-bis(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=C(C=C3)C)NS(=O)(=O)C4=CC=CC=C4)C#N","VVRKXKGWVTVUGW-UHFFFAOYSA-N",390301,NA,"PDBC41375","687593","Present",NA,NA
+"41376","N-(3,5-Dicyano-2-(4-methylphenyl)-6-oxo-4-phenyl-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-2-(4-methylphenyl)-6-oxo-4-phenyl-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=CC=C4)C#N","BAKUCNVIGSNBGL-UHFFFAOYSA-N",390286,NA,"PDBC41376","687578","Present",NA,NA
+"41377","N-(3,5-Dicyano-2-hydroxy-4-(4-(hydroxy(oxido)amino)phenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Dicyano-2-hydroxy-4-(4-nitrophenyl)-6-oxo-1-pyridyl]-4-methyl-benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)O","BSYFZGDIRGEGPL-UHFFFAOYSA-N",390294,NA,"PDBC41377","687586","Present",NA,NA
+"41378","N-(3,5-Dicyano-2-hydroxy-4-(4-(hydroxy(oxido)amino)phenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-2-hydroxy-4-(4-(hydroxy(oxido)amino)phenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)O","QLTDCWRKCNVDTI-UHFFFAOYSA-N",390272,NA,"PDBC41378","687564","Present",NA,NA
+"41379","N-(3,5-Dicyano-2-hydroxy-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-2-hydroxy-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)O)NS(=O)(=O)C3=CC=CC=C3)C#N","PWZGPJHLSBUICT-UHFFFAOYSA-N",390295,NA,"PDBC41379","687587","Present",NA,NA
+"41380","N-(3,5-Dicyano-2-hydroxy-6-oxo-4-phenyl-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-2-hydroxy-6-oxo-4-phenyl-1(6H)-pyridinyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)O)NS(=O)(=O)C3=CC=CC=C3)C#N","NIPKSNCJCLBEBO-UHFFFAOYSA-N",390291,NA,"PDBC41380","687583","Present",NA,NA
+"41381","N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)S","XZZUYHFRTCQQOT-UHFFFAOYSA-N",390270,NA,"PDBC41381","687562","Present",NA,NA
+"41382","N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-2-mercapto-4-(4-methoxyphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"COC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)NS(=O)(=O)C3=CC=CC=C3)C#N","CQUJLZAXZJSVEU-UHFFFAOYSA-N",390271,NA,"PDBC41382","687563","Present",NA,NA
+"41383","N-(3,5-Dicyano-2-mercapto-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-2-mercapto-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)NS(=O)(=O)C3=CC=C(C=C3)C)C#N","GWQZGYKFYREBON-UHFFFAOYSA-N",390267,NA,"PDBC41383","687559","Present",NA,NA
+"41384","N-(3,5-Dicyano-2-mercapto-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-2-mercapto-4-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)NS(=O)(=O)C3=CC=CC=C3)C#N","JVDZJBPDKXEMNZ-UHFFFAOYSA-N",390266,NA,"PDBC41384","687558","Present",NA,NA
+"41385","N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Dicyano-4-[4-(dimethylamino)phenyl]-2-(4-methylphenyl)-6-oxopyridin-1-yl]benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)N(C)C)C#N","XLMQXESQFXLUBW-UHFFFAOYSA-N",390302,NA,"PDBC41385","687594","Present",NA,NA
+"41386","N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-hydroxy-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Dicyano-4-[4-(dimethylamino)phenyl]-2-hydroxy-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)N(C)C)C#N)O","SSMNUCUIXGOSNL-UHFFFAOYSA-N",390293,NA,"PDBC41386","687585","Present",NA,NA
+"41387","N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-hydroxy-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-hydroxy-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"CN(C)C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)O)NS(=O)(=O)C3=CC=CC=C3)C#N","OJCAFBUATRCALU-UHFFFAOYSA-N",390292,NA,"PDBC41387","687584","Present",NA,NA
+"41388","N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Dicyano-4-(4-dimethylaminophenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)N(C)C)C#N)S","QCJVYOJMWWGDQD-UHFFFAOYSA-N",390269,NA,"PDBC41388","687561","Present",NA,NA
+"41389","N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"CN(C)C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)S)NS(=O)(=O)C3=CC=CC=C3)C#N","ADKDVHQLXMRWCY-UHFFFAOYSA-N",390268,NA,"PDBC41389","687560","Present",NA,NA
+"41390","N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-4-(4-(dimethylamino)phenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide",NA,"CN(C)C1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C#N","LWGGOPGKICHKAQ-UHFFFAOYSA-N",390283,NA,"PDBC41390","687575","Present",NA,NA
+"41391","N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Dicyano-2-(4-methylphenyl)-4-(4-nitrophenyl)-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N","XWVNFSYHGAUHLL-UHFFFAOYSA-N",390298,NA,"PDBC41391","687590","Present",NA,NA
+"41392","N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Dicyano-4-(4-nitrophenyl)-2-oxo-6-(p-tolyl)-1-pyridyl]benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N","MWYJZFQFYLWEFG-UHFFFAOYSA-N",390297,NA,"PDBC41392","687589","Present",NA,NA
+"41393","N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Dicyano-4-(4-nitrophenyl)-2-oxo-6-sulfanyl-1-pyridyl]-4-methyl-benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)S","MBZSUORCBILDHX-UHFFFAOYSA-N",390274,NA,"PDBC41393","687566","Present",NA,NA
+"41394","N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)S","SGJZJBFYTAJGKR-UHFFFAOYSA-N",390273,NA,"PDBC41394","687565","Present",NA,NA
+"41395","N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Dicyano-4-(4-nitrophenyl)-2-oxo-6-phenylpyridin-1-yl]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)[N+](=O)[O-])C#N)C4=CC=CC=C4","RDFKVITWWQRLSQ-UHFFFAOYSA-N",390278,NA,"PDBC41395","687570","Present",NA,NA
+"41396","N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-4-(4-(hydroxy(oxido)amino)phenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)[N+](=O)[O-])C#N","BYRVWCIUNTZABV-UHFFFAOYSA-N",390277,NA,"PDBC41396","687569","Present",NA,NA
+"41397","N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=C(C=C4)OC)C#N","PQGVEWHCSXFGNX-UHFFFAOYSA-N",390300,NA,"PDBC41397","687592","Present",NA,NA
+"41398","N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)OC)C#N","DZIYMUFCGHFCAI-UHFFFAOYSA-N",390299,NA,"PDBC41398","687591","Present",NA,NA
+"41399","N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide",NA,"COC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C#N","JZQSHLYVQKSOGS-UHFFFAOYSA-N",390279,NA,"PDBC41399","687571","Present",NA,NA
+"41400","N-(3,5-Dicyano-4-(4-methylphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-4-(4-methylphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)C)C#N","AOQZEEKIFAHHKW-UHFFFAOYSA-N",390282,NA,"PDBC41400","687574","Present",NA,NA
+"41401","N-(3,5-Dicyano-4-(4-methylphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dicyano-4-(4-methylphenyl)-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=O)N(C(=C2C#N)C3=CC=CC=C3)NS(=O)(=O)C4=CC=CC=C4)C#N","LZPPSUXCFLHKPC-UHFFFAOYSA-N",390281,NA,"PDBC41401","687573","Present",NA,NA
+"41402","N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-ethoxyphenyl)ethanediamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=O)NN2C(=NN=C2N)N","KQCFNGBFGGHCHV-UHFFFAOYSA-N",372935,NA,"PDBC41402","648647","Present",NA,NA
+"41403","N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-nitrophenyl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Diimino-1,2,4-triazolidin-4-yl)-N'-(4-nitrophenyl)ethanediamide",NA,"C1=CC(=CC=C1NC(=O)C(=O)NN2C(=NN=C2N)N)[N+](=O)[O-]","XPVWWKWSWSNNOB-UHFFFAOYSA-N",3281440,NA,"PDBC41403","644769","Present",NA,NA
+"41404","N-(3,5-Dimethoxybenzyl)-4-methoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dimethoxybenzyl)-4-methoxyaniline",NA,"COC1=CC=C(C=C1)NCC2=CC(=CC(=C2)OC)OC","QKPUNSNLZPVYMM-UHFFFAOYSA-N",364713,NA,"PDBC41404","631371","Present",NA,NA
+"41405","N-(3,5-Dimethoxyphenyl)-6,7-difluoro-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dimethoxyphenyl)-6,7-difluoro-2-quinoxalinamine",NA,"COC1=CC(=CC(=C1)NC2=NC3=CC(=C(C=C3N=C2)F)F)OC","SFYQMEWZGRRWLL-UHFFFAOYSA-N",394495,NA,"PDBC41405","698040","Present",NA,NA
+"41406","N-(3,5-Dimethylphenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,5-Dimethylphenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-4-oxobutanamide",NA,"CC1=CC(=CC(=C1)NC(=O)CCC(=O)C2CCCC2=NNC(=O)C(=O)NN)C","QIDUHOSJLWZZER-HZHRSRAPSA-N",6373567,NA,"PDBC41406","632027","Present",NA,NA
+"41407","N-(3,5-Ditert-butyl-1,2-diethyl-4-aza-1,2-diazonia-3,5-diboranuidacyclopenta-2,5-dien-4-yl)-2,2-dimethyl-propan-1-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-(3,5-Ditert-butyl-1,2-diethyl-4-aza-1,2-diazonia-3,5-diboranuidacyclopenta-2,5-dien-4-yl)-2,2-dimethylpropan-1-imine",NA,"[B-]1(=[N+]([N+](=[B-](N1N=CC(C)(C)C)C(C)(C)C)CC)CC)C(C)(C)C","RZJRGSAHLBDOJZ-XSFVSMFZSA-N",9571474,NA,"PDBC41407","669969","Present",NA,NA
+"41408","N-(3,5-Ditert-butyl-1,2-diethyl-4-aza-1,2-diazonia-3,5-diboranuidacyclopenta-2,5-dien-4-yl)-3,3-dimethyl-butan-2-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N-(3,5-Ditert-butyl-1,2-diethyl-4-aza-1,2-diazonia-3,5-diboranuidacyclopenta-2,5-dien-4-yl)-3,3-dimethylbutan-2-imine",NA,"[B-]1(=[N+]([N+](=[B-](N1N=C(C)C(C)(C)C)C(C)(C)C)CC)CC)C(C)(C)C","OQXXDESMURDJMQ-RCCKNPSSSA-N",9571473,NA,"PDBC41408","669968","Present",NA,NA
+"41409","N-(3,6-Dicyano-5-(((4-methylphenyl)sulfonyl)amino)-1,4-dihydro-2-pyrazinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Benzenesulfonyl)-2,5-dicyano-imidazol-4-yl]benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=C(N2S(=O)(=O)C3=CC=CC=C3)C#N)C#N","NWDUSWKCEYLGNQ-UHFFFAOYSA-N",385946,NA,"PDBC41409","677418","Present",NA,NA
+"41410","N-(3,6-Dimethyl-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,6-Dimethyl-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride",NA,"CC1=C(C2=C(C(=CN=C2C=C1)C)NCCCN(C)C)[N+](=O)[O-].Cl","HZUFVXYJPGOLJL-UHFFFAOYSA-N",368358,NA,"PDBC41410","639214","Present",NA,NA
+"41411","N-(3,8-Dimethyl-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3,8-Dimethyl-5-nitroquinolin-4-yl)-N',N'-dimethylpropane-1,3-diamine;hydrochloride",NA,"CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=C(C=N2)C)NCCCN(C)C.Cl","KTZPNKSSVXFRJM-UHFFFAOYSA-N",368356,NA,"PDBC41411","639213","Present",NA,NA
+"41412","N-(3-((2,5-Dimethylbenzyl)oxy)-4-(N-methylmethylsulfonamido)phenyl)-2,3-dihydro-1H-indene-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((2,5-dimethylbenzyl)oxy)-4-(N-methylmethylsulfonam...",NA,"CC1=CC(=C(C=C1)C)COC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3)OCO4)N(C)S(=O)(=O)C","NNVDIXHOVATNMH-UHFFFAOYSA-N",56967399,NA,"PDBC41412","751382","Present",NA,NA
+"41413","N-(3-((2-((2,3-Bis(benzyloxy)benzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((2-((2,3-Bis(benzyloxy)benzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide",NA,"C1=CC=C(C=C1)COC2=CC=CC(=C2OCC3=CC=CC=C3)C(=O)NCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","UCNZXNUTUSYGOE-UHFFFAOYSA-N",384125,NA,"PDBC41413","673413","Present",NA,NA
+"41414","N-(3-((2-((2,3-Dihydroxybenzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((2-((2,3-Dihydroxybenzoyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCNC(=O)C4=C(C(=CC=C4)O)O","UNLNFLGMEOHGGY-UHFFFAOYSA-N",384131,NA,"PDBC41414","673418","Present",NA,NA
+"41415","N-(3-((2-((3-Aminopropyl)thio)ethyl)thio)propyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((2-((3-Aminopropyl)thio)ethyl)thio)propyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCCSCCSCCCN","BFODBZOTFXPUDX-UHFFFAOYSA-N",373725,NA,"PDBC41415","650627","Present",NA,NA
+"41416","N-(3-((2-((6-Chloro-2-methoxy-9-acridinyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((2-((6-Chloro-2-methoxy-9-acridinyl)amino)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCNCCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","GEJSTEAMNUHCIV-UHFFFAOYSA-N",384130,NA,"PDBC41416","673417","Present",NA,NA
+"41417","N-(3-((2-(5-(Hydroxy(oxido)amino)-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)ethyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[2-(5-Nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propyl]-2-phenylquinoline-4-carboxamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCN4C(=O)C5=CC=CC6=CC(=CC(=C65)C4=O)[N+](=O)[O-]","QEPSPBLUFYZVAY-UHFFFAOYSA-N",384127,NA,"PDBC41417","673415","Present",NA,NA
+"41418","N-(3-((2-Aminoethyl)thio)propyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((2-Aminoethyl)thio)propyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCCSCCN","PYOJZWAJQZSOND-UHFFFAOYSA-N",373726,NA,"PDBC41418","650628","Present",NA,NA
+"41419","N-(3-((2-Hydroxyethyl)thio)propyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((2-Hydroxyethyl)thio)propyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCCSCCO","ZREWCHAEOQSGCJ-UHFFFAOYSA-N",373727,NA,"PDBC41419","650629","Present",NA,NA
+"41420","N-(3-((3,4-Bis(4-methoxyphenyl)-2,4-dioxobutanoyl)amino)propyl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[[3,4-Bis(4-methoxyphenyl)-2,4-dioxobutanoyl]amino]propyl]-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,"COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NCCCNC(=O)C(=O)C(C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)OC","QUOYKYHRKCLOKO-UHFFFAOYSA-N",360657,NA,"PDBC41420","622975","Present",NA,NA
+"41421","N-(3-((3,4-Dimethoxybenzyl)amino)-2-phenyl-7-(trifluoromethyl)-5-quinoxalinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((3,4-Dimethoxybenzyl)amino)-2-phenyl-7-(trifluoromethyl)-5-quinoxalinyl)acetamide",NA,"CC(=O)NC1=CC(=CC2=C1N=C(C(=N2)C3=CC=CC=C3)NCC4=CC(=C(C=C4)OC)OC)C(F)(F)F","AMZRLSFFKGEKRW-UHFFFAOYSA-N",369881,NA,"PDBC41421","642075","Present",NA,NA
+"41422","N-(3-(1-Aziridinyl)propyl)-1,4-butanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Aziridinylpropyl)-1,4-diaminobutane",NA,"C1CN1CCCNCCCCN","CNOIPHKAPXDRCC-UHFFFAOYSA-N",160394,NA,"PDBC41422","658396","Present",NA,NA
+"41423","N-(3-(1-Methyl-3H-benzimidazol-3-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(1-Methyl-3H-benzimidazol-3-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide",NA,"C[N+]1=CN(C2=CC=CC=C21)C3=C(C4=CC=CC=C4C(=O)C3=NS(=O)(=O)C5=CC=CC=C5)[O-]","JFHCYKQDKJZBPW-UHFFFAOYSA-N",9571591,NA,"PDBC41423","685891","Present",NA,NA
+"41424","N-(3-(1-Methyl-3H-benzimidazol-3-yl)-2-quinoxalinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonyl-[3-(3-methylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide",NA,"C[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3[N-]S(=O)(=O)C5=CC=CC=C5","NORQNKRMGYRMSM-UHFFFAOYSA-N",389588,NA,"PDBC41424","685892","Present",NA,NA
+"41425","N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2C(C(=O)C3=CC=CC=C3C2=O)N4C=NC5=CC=CC=C54","YZMFREUHIKGBFH-UHFFFAOYSA-N",389579,NA,"PDBC41425","685884","Present",NA,NA
+"41426","N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(1H-Benzimidazol-1-yl)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=NC5=CC=CC=C54","ZOVRMNJPPKPBEM-UHFFFAOYSA-N",389585,NA,"PDBC41426","685890","Present",NA,NA
+"41427","N-(3-(1H-Imidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(1H-Imidazol-1-yl)-1,4-dioxo-1,2,3,4-tetrahydro-2-naphthalenyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2C(C(=O)C3=CC=CC=C3C2=O)N4C=CN=C4","YBRWLBVYGATHBO-UHFFFAOYSA-N",389578,NA,"PDBC41427","685883","Present",NA,NA
+"41428","N-(3-(2,4-Diethyl-3-((3-(3-methyl-2-quinoxalinyl)-2-oxopropanoyl)amino)benzyl)-2,6-diethylphenyl)-3-(3-methyl-2-quinoxalinyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[[2,4-Diethyl-3-[[3-(3-methylquinoxalin-2-yl)-2-oxopropanoyl]amino]phenyl]methyl]-2,6-diethylphenyl]-3-(3-methylquinoxalin-2-yl)-2-oxopropanamide",NA,"CCC1=C(C(=C(C=C1)CC2=C(C(=C(C=C2)CC)NC(=O)C(=O)CC3=NC4=CC=CC=C4N=C3C)CC)CC)NC(=O)C(=O)CC5=NC6=CC=CC=C6N=C5C","CDFXIWZFKASQKK-UHFFFAOYSA-N",371854,NA,"PDBC41428","646374","Present",NA,NA
+"41429","N-(3-(2,4-Diethyl-3-((oxo(5-oxo-2-thioxo-4-imidazolidinyl)acetyl)amino)benzyl)-2,6-diethylphenyl)-2-oxo-2-(5-oxo-2-thioxo-4-imidazolidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[[2,4-Diethyl-3-[[2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetyl]amino]phenyl]methyl]-2,6-diethylphenyl]-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide",NA,"CCC1=C(C(=C(C=C1)CC2=C(C(=C(C=C2)CC)NC(=O)C(=O)C3C(=O)NC(=S)N3)CC)CC)NC(=O)C(=O)C4C(=O)NC(=S)N4","JLUONRVVXLJHMI-UHFFFAOYSA-N",3004337,NA,"PDBC41429","646378","Present",NA,NA
+"41430","N-(3-(2,4-Diisopropyl-3-((2-oxo-3-(2-quinoxalinyl)propanoyl)amino)benzyl)-2,6-diisopropylphenyl)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-N-[3-[[3-[(2-oxo-3-quinoxalin-2-ylpropanoyl)amino]-2,4-di(propan-2-yl)phenyl]methyl]-2,6-di(propan-2-yl)phenyl]-3-quinoxalin-2-ylpropanamide",NA,"CC(C)C1=C(C(=C(C=C1)CC2=C(C(=C(C=C2)C(C)C)NC(=O)C(=O)CC3=NC4=CC=CC=C4N=C3)C(C)C)C(C)C)NC(=O)C(=O)CC5=NC6=CC=CC=C6N=C5","RQAGFCFZEXMECN-UHFFFAOYSA-N",371853,NA,"PDBC41430","646373","Present",NA,NA
+"41431","N-(3-(2,6-Dimethyl-4-morpholinyl)-1H-isoindol-1-ylidene)-4-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(2,6-Dimethyl-4-morpholinyl)-1H-isoindol-1-ylidene)-4-methylaniline",NA,"CC1CN(CC(O1)C)C2=NC(=NC3=CC=C(C=C3)C)C4=CC=CC=C42","XTZJXSTUONMORK-UHFFFAOYSA-N",365485,NA,"PDBC41431","633118","Present",NA,NA
+"41432","N-(3-(2,8-Dimethoxy-5,6-dihydro-11H-benzo[a]carbazol-11-yl)propyl)-N,N-dimethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(2,8-Dimethoxy-5,6-dihydro-11H-benzo[a]carbazol-11-yl)propyl)-N,N-dimethylamine",NA,"CN(C)CCCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(CC3)C=CC(=C4)OC","NFJWAQHSGKOOSZ-UHFFFAOYSA-N",390903,NA,"PDBC41432","689078","Present",NA,NA
+"41433","N-(3-(2-Chlorophenyl)-5-oxo-4-pyrazolidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(2-Chlorophenyl)-5-oxo-4-pyrazolidinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2C(NNC2=O)C3=CC=CC=C3Cl","GDBBETJGUUPPOP-UHFFFAOYSA-N",365340,NA,"PDBC41433","632931","Present",NA,NA
+"41434","N-(3-(3,4-Dihydroxyphenyl)acryloyl)serine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(3,4-Dihydroxyphenyl)acryloyl)serine",NA,"C1=CC(=C(C=C1C=CC(=O)NC(CO)C(=O)O)O)O","WSMMQUUETYVJPH-DUXPYHPUSA-N",5470543,NA,"PDBC41434","702986","Present",NA,NA
+"41435","N-(3-(3,4-Dimethoxyphenyl)propyl)-2-(2-(hydroxymethyl)-4,5-dimethoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(3,4-Dimethoxyphenyl)propyl)-2-(2-(hydroxymethyl)-4,5-dimethoxyphenyl)acetamide",NA,"COC1=C(C=C(C=C1)CCCNC(=O)CC2=CC(=C(C=C2CO)OC)OC)OC","NKSMUVOQEMJTRB-UHFFFAOYSA-N",390034,NA,"PDBC41435","686948","Present",NA,NA
+"41436","N-(3-(3,4-Dimethoxyphenyl)propyl)-2-(2-hydroxyethyl)-4,5-dimethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(3,4-Dimethoxyphenyl)propyl)-2-(2-hydroxyethyl)-4,5-dimethoxybenzamide",NA,"COC1=C(C=C(C=C1)CCCNC(=O)C2=CC(=C(C=C2CCO)OC)OC)OC","WLGYBIHMOLQPMB-UHFFFAOYSA-N",390015,NA,"PDBC41436","686935","Present",NA,NA
+"41437","N-(3-(3-(Benzoylamino)benzyl)phenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(3-(Benzoylamino)benzyl)phenyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)CC3=CC(=CC=C3)NC(=O)C4=CC=CC=C4","RBXOFMVKHHBLOJ-UHFFFAOYSA-N",365311,NA,"PDBC41437","632899","Present",NA,NA
+"41438","N-(3-(3-(Hydroxy(oxido)amino)phenyl)-5-oxo-4-pyrazolidinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(3-(Hydroxy(oxido)amino)phenyl)-5-oxo-4-pyrazolidinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2C(NNC2=O)C3=CC(=CC=C3)[N+](=O)[O-]","ALWSDUMBUGJGDX-UHFFFAOYSA-N",365339,NA,"PDBC41438","632930","Present",NA,NA
+"41439","N-(3-(4-(3-((2-Quinoxalinylcarbonyl)amino)propyl)-1-piperazinyl)propyl)-2-quinoxalinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[4-[3-(Quinoxaline-2-carbonylamino)propyl]piperazin-1-yl]propyl]quinoxaline-2-carboxamide",NA,"C1CN(CCN1CCCNC(=O)C2=NC3=CC=CC=C3N=C2)CCCNC(=O)C4=NC5=CC=CC=C5N=C4","SYQWLYWZRUUPLB-UHFFFAOYSA-N",364905,NA,"PDBC41439","631733","Present",NA,NA
+"41440","N-(3-(4-Benzamido-1H-pyrrolo[3,2-c]pyridin-1-yl)phenyl)-4-morpholino-3-(trifluoromethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]...",NA,"C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6)C(F)(F)F","FDCXXPBBHPICRU-UHFFFAOYSA-N",46890251,NA,"PDBC41440","752893","Present",NA,NA
+"41441","N-(3-(4-Chlorophenyl)-4-((4-methylphenyl)imino)-2-(2-(4-morpholinyl)-2-cyclopenten-1-ylidene)-1,3-thiazolidin-5-ylidene)-4-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-3-(4-Chlorophenyl)-4-N,5-N-bis(4-methylphenyl)-2-(2-morpholin-4-ylcyclopent-2-en-1-ylidene)-1,3-thiazolidine-4,5-diimine",NA,"CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)SC(=C4CCC=C4N5CCOCC5)N2C6=CC=C(C=C6)Cl","KUWVNWVEBBAUQM-TTXBECKSSA-N",3005096,NA,"PDBC41441","671371","Present",NA,NA
+"41442","N-(3-(4-Methoxybenzylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(4-Methoxybenzylidene)-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide",NA,"CC(=O)NN1C2=CC=CC=C2C(=CC3=CC=C(C=C3)OC)C1=O","QYPHIBOVHCVFSL-WJDWOHSUSA-N",5388857,NA,"PDBC41442","639690","Present",NA,NA
+"41443","N-(3-(Acetyl(4-((trifluoroacetyl)amino)butyl)amino)propyl)-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Acetyl(4-((trifluoroacetyl)amino)butyl)amino)propyl)-2,2,2-trifluoroacetamide",NA,"CC(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","GPDRZOPPXBMZJC-UHFFFAOYSA-N",389620,NA,"PDBC41443","685966","Present",NA,NA
+"41444","N-(3-(Acetylamino)-2-methoxy-5-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Acetylamino)-2-methoxy-5-methylphenyl)acetamide",NA,"CC1=CC(=C(C(=C1)NC(=O)C)OC)NC(=O)C","AFAAUNOSOBLMIU-UHFFFAOYSA-N",361751,NA,"PDBC41444","625017","Present",NA,NA
+"41445","N-(3-(Benzoylamino)-2-(hydroxy(oxido)amino)-2-methylpropyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Benzoylamino)-2-(hydroxy(oxido)amino)-2-methylpropyl)benzamide",NA,"CC(CNC(=O)C1=CC=CC=C1)(CNC(=O)C2=CC=CC=C2)[N+](=O)[O-]","NQEXFOOJALTUQI-UHFFFAOYSA-N",387109,NA,"PDBC41445","680505","Present",NA,NA
+"41446","N-(3-(Benzyl(4-((trifluoroacetyl)amino)butyl)amino)propyl)-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Benzyl(4-((trifluoroacetyl)amino)butyl)amino)propyl)-2,2,2-trifluoroacetamide",NA,"C1=CC=C(C=C1)CN(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","ZACILCKCVNLYDB-UHFFFAOYSA-N",389621,NA,"PDBC41446","685967","Present",NA,NA
+"41447","N-(3-(Benzyl(4-(benzyl(3-((trifluoroacetyl)amino)propyl)amino)butyl)amino)propyl)-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[Benzyl-[4-[benzyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]amino]propyl]-2,2,2-trifluoroacetamide",NA,"C1=CC=C(C=C1)CN(CCCCN(CCCNC(=O)C(F)(F)F)CC2=CC=CC=C2)CCCNC(=O)C(F)(F)F","UKFOLUNVLQWPHJ-UHFFFAOYSA-N",389630,NA,"PDBC41447","685975","Present",NA,NA
+"41448","N-(3-(Chloromethyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indol-6-yl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Chloromethyl)-1-(methylsulfonyl)-2,3-dihydro-1H-indol-6-yl)methanesulfonamide",NA,"CS(=O)(=O)NC1=CC2=C(C=C1)C(CN2S(=O)(=O)C)CCl","PVJOSQQNCACPKU-UHFFFAOYSA-N",384837,NA,"PDBC41448","675355","Present",NA,NA
+"41449","N-(3-(Dibenzylamino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Dibenzylamino)-1,4-dioxo-1,4-dihydro-2-naphthalenyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=CC=C5","RSGMVFUNSCLZDM-UHFFFAOYSA-N",389580,NA,"PDBC41449","685885","Present",NA,NA
+"41450","N-(3-(Dimethylamino)propyl)-2-((3-nitrophenyl)methylene)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Dimethylamino)propyl)-2-((3-nitrophenyl)methylene)hydrazinecarboxamide",NA,"CN(C)CCCNC(=O)NN=CC1=CC(=CC=C1)[N+](=O)[O-]","IYKGJMUAANQSOL-XNTDXEJSSA-N",9554129,NA,"PDBC41450","656194","Present",NA,NA
+"41451","N-(3-(Dimethylamino)propyl)-2-((4-hydroxyphenyl)methylene)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Dimethylamino)propyl)-2-((4-hydroxyphenyl)methylene)hydrazinecarboxamide",NA,"CN(C)CCCNC(=O)NN=CC1=CC=C(C=C1)O","WXBUAOCBGGEJQV-XNTDXEJSSA-N",135509172,NA,"PDBC41451","666458","Present",NA,NA
+"41452","N-(3-(Dimethylamino)propyl)-2-((4-methoxyphenyl)methylene)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Dimethylamino)propyl)-2-((4-methoxyphenyl)methylene)hydrazinecarboxamide",NA,"CN(C)CCCNC(=O)NN=CC1=CC=C(C=C1)OC","KSTBXGQYCUMRFV-LFIBNONCSA-N",9554126,NA,"PDBC41452","656193","Present",NA,NA
+"41453","N-(3-(Dimethylamino)propyl)-2-(phenylmethylene)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Dimethylamino)propyl)-2-(phenylmethylene)hydrazinecarboxamide",NA,"CN(C)CCCNC(=O)NN=CC1=CC=CC=C1","HDAMACVELHPZHG-RVDMUPIBSA-N",9554123,NA,"PDBC41453","656192","Present",NA,NA
+"41454","N-(3-(Hydroxy(oxido)amino)benzyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Hydroxy(oxido)amino)benzyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(=CC=C2)[N+](=O)[O-]","CCAKBSJQJAVJQW-UHFFFAOYSA-N",309044,NA,"PDBC41454","211193","Present",NA,NA
+"41455","N-(3-(Methyl(3-(((2-phenyl-4-quinolinyl)carbonyl)amino)propyl)amino)propyl)-2-phenyl-4-quinolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[Methyl-[3-[(2-phenylquinoline-4-carbonyl)amino]propyl]amino]propyl]-2-phenylquinoline-4-carboxamide",NA,"CN(CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3)CCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6","JHHIWYHLJVQCFF-UHFFFAOYSA-N",384378,NA,"PDBC41455","674086","Present",NA,NA
+"41456","N-(3-(Phenylimino)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Phenylimino)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-2(3H)-ylidene)aniline",NA,"C1CN2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)SC2=N1","GFBWUJYYTUBVSP-UHFFFAOYSA-N",383251,NA,"PDBC41456","671365","Present",NA,NA
+"41457","N-(3-(Tert-Butylimino)-5,5-dimethyl-4,5-dihydro-2-benzothiepin-1(3H)-ylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Tert-Butylimino)-5,5-dimethyl-4,5-dihydro-2-benzothiepin-1(3H)-ylidene)aniline",NA,"CC1(CC(=NC(C)(C)C)SC(=NC2=CC=CC=C2)C3=CC=CC=C31)C","RSNMJUIJZLBDNQ-UHFFFAOYSA-N",371462,NA,"PDBC41457","645730","Present",NA,NA
+"41458","N-(3-([1,1'-Biphenyl]-4-ylimino)-1-propenyl)[1,1'-biphenyl]-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-phenyl-N-[(E,3E)-3-(4-phenylphenyl)iminoprop-1-enyl]aniline",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)NC=CC=NC3=CC=C(C=C3)C4=CC=CC=C4","NMTVOLGEUFUEOW-UUBFXEKFSA-N",6282936,NA,"PDBC41458","676468","Present",NA,NA
+"41459","N-(3-Acetamido-6-oxo-5H-phenanthridin-8-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Acetamido-6-oxo-5H-phenanthridin-8-yl)acetamide",NA,"CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)NC(=O)C)NC2=O","TUVBUEDCAFRQPP-UHFFFAOYSA-N",24205587,NA,"PDBC41459","736196","Present",NA,NA
+"41460","N-(3-Acetamido-6-oxobenzo[c]chromen-8-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Acetamido-6-oxobenzo[c]chromen-8-yl)acetamide",NA,"CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)NC(=O)C)OC2=O","CSUWFCCZWGXRBN-UHFFFAOYSA-N",24205585,NA,"PDBC41460","736194","Present",NA,NA
+"41461","N-(3-Acetylphenyl)(4-{[4-chloro-2,5-dioxo-1-benzylazolin-3-yl]amino}phenyl)car boxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-acetyl-1-[4-(1-benzyl-4-chloro-2,5-dioxo-2,5-dihydro-1...",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","INVWQVSPEKDLLL-UHFFFAOYSA-N",1178251,NA,"PDBC41461","732834","Present",NA,NA
+"41462","N-(3-Acetylphenyl)-2-((hydrazinocarbothioyl)hydrazono)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-N-(3-Acetylphenyl)-2-(aminocarbamothioylhydrazinylidene)-2-(1,3-dioxo-4H-1lambda4,4-benzothiazin-2-yl)acetamide",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=NNC(=S)NN)C2C(=O)NC3=CC=CC=C3S2=O","WVYWHZLYGILTDO-IWIPYMOSSA-N",5867654,NA,"PDBC41462","648612","Present",NA,NA
+"41463","N-(3-Acetylphenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Acetylphenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C2=C(C3=CC=CC=C3OC2=O)O","NMWUPSRKKGTYBN-UHFFFAOYSA-N",54676276,NA,"PDBC41463","648626","Present",NA,NA
+"41464","N-(3-Acetylphenyl)-2-(tert-butylhydrazono)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Acetylphenyl)-2-(tert-butylhydrazono)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)acetamide",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=NNC(C)(C)C)C2=C(C3=CC=CC=C3OC2=O)O","UMAVUYVYSYTOBX-PLRJNAJWSA-N",135499244,NA,"PDBC41464","646813","Present",NA,NA
+"41465","N-(3-Acetylphenyl)-2-[2-(4-amino-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)hydrazino]-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-(3-acetylphenyl)-2-[(4-amino-5-mercapto- 4H...",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)NNC2=NNC(=S)N2N","QKGMMOVVQGSIGD-UHFFFAOYSA-N",3000679,NA,"PDBC41465","642049","Present",NA,NA
+"41466","N-(3-Acetylphenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Acetylphenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]","FHIIDMKDHKACGC-UHFFFAOYSA-N",369449,NA,"PDBC41466","641219","Present",NA,NA
+"41467","N-(3-Acetylphenyl)-3-(hydroxy(oxido)amino)-3-(7-(hydroxy(oxido)amino)-2-quinoxalinyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Acetylphenyl)-3-nitro-3-(7-nitroquinoxalin-2-yl)-2-oxo-propanamide",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2=CN=C3C=CC(=CC3=N2)[N+](=O)[O-])[N+](=O)[O-]","POBPSTWMYMQFOL-UHFFFAOYSA-N",372919,NA,"PDBC41467","648631","Present",NA,NA
+"41468","N-(3-Acetylphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Acetylphenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4F","TWACPZUQKAKMOC-UHFFFAOYSA-N",369251,NA,"PDBC41468","640982","Present",NA,NA
+"41469","N-(3-Acetylphenyl)-4-hydrazino-2,4-dioxo-3-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Acetylphenyl)-4-hydrazino-2,4-dioxo-3-phenylbutanamide",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)C(C2=CC=CC=C2)C(=O)NN","YUWYMRDWXUCODA-UHFFFAOYSA-N",369484,NA,"PDBC41469","641254","Present",NA,NA
+"41470","N-(3-Acetylphenyl)-N'-(3,5-diimino-1,2,4-triazolidin-4-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Acetylphenyl)-N'-(3,5-diimino-1,2,4-triazolidin-4-yl)ethanediamide",NA,"CC(=O)C1=CC(=CC=C1)NC(=O)C(=O)NN2C(=NN=C2N)N","HXSNUCJXOJGJNU-UHFFFAOYSA-N",370962,NA,"PDBC41470","644767","Present",NA,NA
+"41471","N-(3-Amino-1,1-diphenylpropyl)-3,4,5-trimethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Amino-1,1-diphenylpropyl)-3,4,5-trimethoxybenzamide",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)NC(CCN)(C2=CC=CC=C2)C3=CC=CC=C3","BDLGPSASQINYFC-UHFFFAOYSA-N",379865,NA,"PDBC41471","665002","Present",NA,NA
+"41472","N-(3-Amino-1,4-dioxonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Amino-1,4-dioxonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide",NA,"C1=CC=C(C(=C1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N)F","CWPCZZOEQBIYFX-UHFFFAOYSA-N",371179,NA,"PDBC41472","645211","Present",NA,NA
+"41473","N-(3-Amino-1,4-dioxonaphthalen-2-yl)-2-(4-fluorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Amino-1,4-dioxonaphthalen-2-yl)-2-(4-fluorophenyl)acetamide",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)NC(=O)CC3=CC=C(C=C3)F)N","HHCXGIDMHLXQFH-UHFFFAOYSA-N",371176,NA,"PDBC41473","645208","Present",NA,NA
+"41474","N-(3-Amino-1H-pyrazol-5-yl)-2-((4-amino-6-(dimethylamino)-1,5-triazin-2-yl)methylthio)-4-chloro-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-amino-1H-pyrazol-5-yl)-2-((4-amino-6-(dimethylamino...",NA,"CC1=CC(=C(C=C1Cl)SCC2=NC(=NC(=N2)N(C)C)N)S(=O)(=O)NC3=NNC(=C3)N","OUOGPRBVGHIWOI-UHFFFAOYSA-N",378481,NA,"PDBC41474","661081","Present",NA,NA
+"41475","N-(3-Amino-2-hydroxypropyl)-4-[5-[4-[(3-amino-2-hydroxypropyl)carbamoyl]phenyl]furan-2-yl]benzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Amino-2-hydroxypropyl)-4-[5-[4-[(3-amino-2-hydroxypropyl)carbamoyl]phenyl]furan-2-yl]benzamide;hydrochloride",NA,"C1=CC(=CC=C1C2=CC=C(O2)C3=CC=C(C=C3)C(=O)NCC(CN)O)C(=O)NCC(CN)O.Cl","ZYNRLBLEEDQXOM-UHFFFAOYSA-N",401963,NA,"PDBC41475","715652","Present",NA,NA
+"41476","N-(3-Amino-4-oxo-3,4-dihydro-2-quinazolinyl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Amino-4-oxo-3,4-dihydro-2-quinazolinyl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CC=CC=C3C(=O)N2N","IAVLNAGDEVLRNT-UHFFFAOYSA-N",397054,NA,"PDBC41476","704336","Present",NA,NA
+"41477","N-(3-Amino-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Amino-4-oxothieno[3,2-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2N)SC=C3","QGJCPIPVSPYYRE-UHFFFAOYSA-N",397052,NA,"PDBC41477","704334","Present",NA,NA
+"41478","N-(3-Amino-4-oxo-3,4-dihydrothieno[3,4-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Amino-4-oxothieno[3,4-d]pyrimidin-2-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CSC=C3C(=O)N2N","GOMLEAUEMYNODG-UHFFFAOYSA-N",397051,NA,"PDBC41478","704333","Present",NA,NA
+"41479","N-(3-Amino-6-(4-chlorophenyl)-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Amino-6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2N)SC(=C3)C4=CC=C(C=C4)Cl","PDMQWTCMIGLFIP-UHFFFAOYSA-N",397053,NA,"PDBC41479","704335","Present",NA,NA
+"41480","N-(3-Aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide",NA,"C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)N","FBLWAWFEDQBUJO-UHFFFAOYSA-N",11589061,NA,"PDBC41480","733257","Present",NA,NA
+"41481","N-(3-Aminopropoxy)-N-(3-aminopropyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Aminopropoxy)-N-(3-aminopropyl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-sulfonamide;hydrochloride",NA,"CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)N(CCCN)OCCCN)C.Cl","CTZKAUJPOYJDPN-UHFFFAOYSA-N",396616,NA,"PDBC41481","703118","Present",NA,NA
+"41482","N-(3-Aminopropoxy)-N-(3-aminopropyl)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Aminopropoxy)-N-(3-aminopropyl)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride",NA,"CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCN)OCCCN)C.Cl","LJAUSVCZZBYUIL-UHFFFAOYSA-N",396610,NA,"PDBC41482","703115","Present",NA,NA
+"41483","N-(3-Aminopropoxy)-N-(3-aminopropyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Aminopropoxy)-N-(3-aminopropyl)-4-methoxy-2,3,6-trimethylbenzenesulfonamide;hydrochloride",NA,"CC1=CC(=C(C(=C1S(=O)(=O)N(CCCN)OCCCN)C)C)OC.Cl","MDLCKPMCLTVJCP-UHFFFAOYSA-N",396618,NA,"PDBC41483","703119","Present",NA,NA
+"41484","N-(3-Aminopropyl)-N-[2-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxyethoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Aminopropyl)-N-[2-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxyethoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCN)OCCON(CCCN)S(=O)(=O)C2=C(C=C(C=C2C)C)C)C.Cl","HCDVXHCAVJSITQ-UHFFFAOYSA-N",396608,NA,"PDBC41484","703114","Present",NA,NA
+"41485","N-(3-Aminopropyl)-N-[3-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Aminopropyl)-N-[3-[3-aminopropyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCN)OCCCON(CCCN)S(=O)(=O)C2=C(C=C(C=C2C)C)C)C.Cl","NQLDOTYIRASGAR-UHFFFAOYSA-N",397940,NA,"PDBC41485","707020","Present",NA,NA
+"41486","N-(3-Aminopropyl)-N-benzylbutane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Aminopropyl)-N-benzylbutane-1,4-diamine",NA,"C1=CC=C(C=C1)CN(CCCCN)CCCN","BFURQINQUKOEFD-UHFFFAOYSA-N",389623,NA,"PDBC41486","685969","Present",NA,NA
+"41487","N-(3-Anilino-1H-1,2,4-triazol-5-yl)-2-[[2-[(3-anilino-1H-1,2,4-triazol-5-yl)sulfamoyl]-5-chloro-4-methyl-phenyl]disulfanyl]-4-chloro-5-methyl-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Anilino-1H-1,2,4-triazol-3-yl)-2-[[2-[(5-anilino-1H-1,2,4-triazol-3-yl)sulfamoyl]-5-chloro-4-methylphenyl]disulfanyl]-4-chloro-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)SSC2=C(C=C(C(=C2)Cl)C)S(=O)(=O)NC3=NNC(=N3)NC4=CC=CC=C4)S(=O)(=O)NC5=NNC(=N5)NC6=CC=CC=C6","AMRIPXJLNCEOOK-UHFFFAOYSA-N",380938,NA,"PDBC41487","666724","Present",NA,NA
+"41488","N-(3-Benzyl-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Benzyl-2-oxo-2,3-dihydro-1H-indol-1-yl)acetamide",NA,"CC(=O)NN1C2=CC=CC=C2C(C1=O)CC3=CC=CC=C3","DYWGKGNRXOWDLO-UHFFFAOYSA-N",368595,NA,"PDBC41488","639691","Present",NA,NA
+"41489","N-(3-Benzyl-5-(cyanomethyl)-4H-1,2,4-triazol-4-yl)-2-cyanoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Benzyl-5-(cyanomethyl)-4H-1,2,4-triazol-4-yl)-2-cyanoacetamide",NA,"C1=CC=C(C=C1)CC2=NN=C(N2NC(=O)CC#N)CC#N","LQZMJYWIOWNFIM-UHFFFAOYSA-N",386455,NA,"PDBC41489","678484","Present",NA,NA
+"41490","N-(3-Bromo-4-hydroxy-1-naphthyl)-4-fluorobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780580",NA,"C1=CC=C2C(=C1)C(=CC(=C2O)Br)NS(=O)(=O)C3=CC=C(C=C3)F","CAMNZAZSAHUYIQ-UHFFFAOYSA-N",2269888,NA,"PDBC41490","780580","Present",NA,NA
+"41491","N-(3-Bromo-6-oxo-1-(1-piperazinyl)-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Bromo-6-oxo-1-piperazin-1-yl-4,5-dihydrocyclopenta[c]thiophen-4-yl)-2,2,2-trifluoroacetamide",NA,"C1CN(CCN1)C2=C3C(=O)CC(C3=C(S2)Br)NC(=O)C(F)(F)F","BPIWZNACZGORGD-UHFFFAOYSA-N",378797,NA,"PDBC41491","662118","Present",NA,NA
+"41492","N-(3-Bromo-6-oxo-1-(4-phenyl-1-piperidinyl)-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Bromo-6-oxo-1-(4-phenylpiperidin-1-yl)-4,5-dihydrocyclopenta[c]thiophen-4-yl]-2,2,2-trifluoroacetamide",NA,"C1CN(CCC1C2=CC=CC=C2)C3=C4C(=O)CC(C4=C(S3)Br)NC(=O)C(F)(F)F","DCKMBKBWOHERDL-UHFFFAOYSA-N",378804,NA,"PDBC41492","662123","Present",NA,NA
+"41493","N-(3-Bromo-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Bromo-6-oxo-4,5-dihydrocyclopenta[c]thiophen-4-yl)-2,2,2-trifluoroacetamide",NA,"C1C(C2=C(SC=C2C1=O)Br)NC(=O)C(F)(F)F","SYZHRDMXBWIMGW-UHFFFAOYSA-N",378798,NA,"PDBC41493","662119","Present",NA,NA
+"41494","N-(3-Bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Bromophenyl)-7,7-dimethoxy-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidin-4-amine",NA,"COC1(CCC2=C(C1)SC3=NC=NC(=C23)NC4=CC(=CC=C4)Br)OC","HAZUKGPGYAIQRQ-UHFFFAOYSA-N",396717,NA,"PDBC41494","703326","Present",NA,NA
+"41495","N-(3-Bromophenyl)-N-hydroxyurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-Bromophenyl)-1-hydroxyurea",NA,"C1=CC(=CC(=C1)Br)N(C(=O)N)O","RJFSOVJXXRBCIO-UHFFFAOYSA-N",392398,NA,"PDBC41495","692762","Present",NA,NA
+"41496","N-(3-Bromophenyl)spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine]-4'-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Bromophenyl)spiro[1,3-dioxolane-2,7'-6,8-dihydro-5H-[1]benzothiolo[2,3-d]pyrimidine]-4'-amine",NA,"C1CC2(CC3=C1C4=C(N=CN=C4S3)NC5=CC(=CC=C5)Br)OCCO2","GXJJVTJFJZOXHQ-UHFFFAOYSA-N",396714,NA,"PDBC41496","703323","Present",NA,NA
+"41497","N-(3-Bromoquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Bromoquinolin-8-yl)-N',N'-diethylhexane-1,6-diamine;hydroiodide",NA,"CCN(CC)CCCCCCNC1=CC=CC2=CC(=CN=C21)Br.I","WLDBNTVLKLISKS-UHFFFAOYSA-N",24182084,NA,"PDBC41497","13612","Present",NA,NA
+"41498","N-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1-Benzopyran-3-acetamide, N-(3-chloro-1,4-dioxo- 2-na...",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C(=O)C3=C(C4=CC=CC=C4OC3=O)O","DIVJMFVRDQHKSS-UHFFFAOYSA-N",54693275,NA,"PDBC41498","649811","Present",NA,NA
+"41499","N-(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-(hydroxyimino)-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-4-oxo-6-phenylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-hydroxyimino-6-(4-hydroxy-2-oxochromen-3-yl)-4-oxo-6-phenylhexanamide",NA,"C1=CC=C(C=C1)C(CC(=O)CC(=NO)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C4=C(C5=CC=CC=C5OC4=O)O","OFWDBPLRILYIJW-VQNDASPWSA-N",54692865,NA,"PDBC41499","649567","Present",NA,NA
+"41500","N-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide",NA,"CC1(CC(=O)C(C(=O)C1)C(=O)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C","YEOQJIQIIMGULX-UHFFFAOYSA-N",369853,NA,"PDBC41500","642050","Present",NA,NA
+"41501","N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-2-(2-fluorophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Naphthalenedione, 2-chloro-3-[[2-(2-fluorophenyl)- 1...",NA,"C1=CC=C(C(=C1)CC(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)F","XTWWGIRYIKFREK-UHFFFAOYSA-N",371178,NA,"PDBC41501","645210","Present",NA,NA
+"41502","N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-4-[2-[(3,4-dioxonaphthalen-2-yl)amino]phenyl]-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenebutanamide, N-(3-chloro-1,4-dihydro-1,4-dioxo- 2-...",NA,"C1=CC=C2C(=C1)C=C(C(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=C(C(=O)C5=CC=CC=C5C4=O)Cl","DVWNWQNIVXGREC-UHFFFAOYSA-N",369475,NA,"PDBC41502","641245","Present",NA,NA
+"41503","N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-4-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-Methoxybenzoyl)amino]-3-chloro-1,4-naphthoquinone",NA,"COC1=CC=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","NBMSQIBRIQVBJJ-UHFFFAOYSA-N",377416,NA,"PDBC41503","658859","Present",NA,NA
+"41504","N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenebutanamide, N-(3-chloro-1,4-dihydro- 1,4-di...",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","UBKLJIUHBTWPQD-UHFFFAOYSA-N",369463,NA,"PDBC41504","641233","Present",NA,NA
+"41505","N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-N-(2-methoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-1,4-dioxonaphthalen-2-yl)-N-(2-methoxyphenyl)acetamide",NA,"CC(=O)N(C1=CC=CC=C1OC)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","NESAYAUVALVXLY-UHFFFAOYSA-N",282598,NA,"PDBC41505","136268","Present",NA,NA
+"41506","N-(3-Chloro-1,4-dioxonaphthalen-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KUC110490N",NA,"C1=CC=C(C=C1)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl","ADHBVWXFMCERTO-UHFFFAOYSA-N",377410,NA,"PDBC41506","658853","Present",NA,NA
+"41507","N-(3-Chloro-1,4-dioxonaphthalen-2-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalen-1,4-dione, 3-butanoylamino-2-chloro-1,4-dihydro-",NA,"CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)Cl","QRIWUMQXJVSZPA-UHFFFAOYSA-N",276685,NA,"PDBC41507","124994","Present",NA,NA
+"41508","N-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(2-chlorophenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3Cl","PEIGGLUKUOJXLG-UHFFFAOYSA-N",373553,NA,"PDBC41508","650006","Present",NA,NA
+"41509","N-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=CC=C3O","OWSHVQCLIWFXCE-UHFFFAOYSA-N",373546,NA,"PDBC41509","649999","Present",NA,NA
+"41510","N-(3-Chloro-2-(2-methoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(2-methoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"COC1=CC=CC=C1C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl","HCZAJKQTRNGOQV-UHFFFAOYSA-N",373550,NA,"PDBC41510","650003","Present",NA,NA
+"41511","N-(3-Chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(3,4-dimethoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"COC1=C(C=C(C=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl)OC","BXXOPEXHUPEHLH-UHFFFAOYSA-N",373555,NA,"PDBC41511","650008","Present",NA,NA
+"41512","N-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(3,5-dibromo-2-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=C(C(=CC(=C3)Br)Br)O","KOVHPMAQLHPRSJ-UHFFFAOYSA-N",373558,NA,"PDBC41512","650011","Present",NA,NA
+"41513","N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-hydroxybenzamide",NA,"C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)[N+](=O)[O-])O","MYLSRKKIVQKDRD-UHFFFAOYSA-N",374787,NA,"PDBC41513","653032","Present",NA,NA
+"41514","N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(3-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)[N+](=O)[O-]","AUYJKBXJRLTFGT-UHFFFAOYSA-N",373548,NA,"PDBC41514","650001","Present",NA,NA
+"41515","N-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(3-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)O","ZOLXELYLFMBTES-UHFFFAOYSA-N",373547,NA,"PDBC41515","650000","Present",NA,NA
+"41516","N-(3-Chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(4-(hydroxy(oxido)amino)phenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-]","UFYZIVFMWCSSEN-UHFFFAOYSA-N",373549,NA,"PDBC41516","650002","Present",NA,NA
+"41517","N-(3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(4-chlorophenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)Cl","IDEHMCXAZMRSSG-UHFFFAOYSA-N",373554,NA,"PDBC41517","650007","Present",NA,NA
+"41518","N-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"COC1=C(C=CC(=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl)O","NTBHUTDZRRQJAT-UHFFFAOYSA-N",373556,NA,"PDBC41518","650009","Present",NA,NA
+"41519","N-(3-Chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-(4-hydroxyphenyl)-4-oxo-1-azetidinyl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O","FYMORAVOLCMQCC-UHFFFAOYSA-N",373552,NA,"PDBC41519","650005","Present",NA,NA
+"41520","N-(3-Chloro-2-iodophenyl)-2-(hydroxyimino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-iodophenyl)-2-(hydroxyimino)acetamide",NA,"C1=CC(=C(C(=C1)Cl)I)NC(=O)C=NO","QIZHZMIKFHWTLL-NYYWCZLTSA-N",9571383,NA,"PDBC41520","651037","Present",NA,NA
+"41521","N-(3-Chloro-2-methylphenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,4-Benzothiazine-2-acetamide, N-(3-chloro-2-methyl- ...",NA,"CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NC3=CC=CC=C3S2(=O)=O","JBDCHLDQUYNEHW-UHFFFAOYSA-N",366113,NA,"PDBC41521","634400","Present",NA,NA
+"41522","N-(3-Chloro-2-methylphenyl)-2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634396///NSC637599",NA,"CC1=C(C=CC=C1Cl)NC(=O)CC2C(=O)NC3=CC=CC=C3S2","INZRHQMESLKTEV-UHFFFAOYSA-N",366109,NA,"PDBC41522","634396///637599","Present",NA,NA
+"41523","N-(3-Chloro-2-methylphenyl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-methylphenyl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=O)C2C(=O)CC(CC2=O)(C)C","NUAMTRNGAJRFMS-UHFFFAOYSA-N",368943,NA,"PDBC41523","640348","Present",NA,NA
+"41524","N-(3-Chloro-2-methylphenyl)-2-(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-methylphenyl)-2-(4,7-dihydroxy-2-oxo-2H-chromen-3-yl)-2-oxoacetamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=O)C2=C(C3=C(C=C(C=C3)O)OC2=O)O","BWYLWGTZWSZVGB-UHFFFAOYSA-N",54686203,NA,"PDBC41524","647102","Present",NA,NA
+"41525","N-(3-Chloro-2-methylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-methylphenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=O)C2C(=O)NC(=O)NC2=O","CZEDNUJPQVBVBE-UHFFFAOYSA-N",371844,NA,"PDBC41525","646362","Present",NA,NA
+"41526","N-(3-Chloro-2-methylphenyl)-3-(isonicotinoylhydrazono)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-methylphenyl)-3-(isonicotinoylhydrazono)butanamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)CC(=NNC(=O)C2=CC=NC=C2)C","VVHPEDACSPTYLO-SRZZPIQSSA-N",9571665,NA,"PDBC41526","641858","Present",NA,NA
+"41527","N-(3-Chloro-2-methylphenyl)-3-(methylhydrazono)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-methylphenyl)-3-(methylhydrazono)butanamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)CC(=NNC)C","SNMMMAVSTQFOTI-LZYBPNLTSA-N",9571310,NA,"PDBC41527","641873","Present",NA,NA
+"41528","N-(3-Chloro-2-methylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-methylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","PYZKPBQCESRDRH-UHFFFAOYSA-N",366289,NA,"PDBC41528","634640","Present",NA,NA
+"41529","N-(3-Chloro-2-methylphenyl)-4-(7-methoxy-3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-2-methylphenyl)-4-(7-methoxy-3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=O)CC(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)OC)[O-])C","JGSVRDOCVHEECM-UHFFFAOYSA-N",364336,NA,"PDBC41529","630351","Present",NA,NA
+"41530","N-(3-Chloro-4-fluorophenyl)-11-(3-chloro-4-fluorophenyl)imino-9-methoxyindeno[1,2-c]quinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-11-(3-chloro-4-fluorophenyl)imino-9-methoxyindeno[1,2-c]quinolin-6-amine",NA,"COC1=CC2=C(C=C1)C3=C(C2=NC4=CC(=C(C=C4)F)Cl)C5=CC=CC=C5N=C3NC6=CC(=C(C=C6)F)Cl","LUQVGCMUJXSVSU-UHFFFAOYSA-N",24205225,NA,"PDBC41530","734643","Present",NA,NA
+"41531","N-(3-Chloro-4-fluorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(3-chloro-4-fluorop...",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)NC3=CC(=C(C=C3)F)Cl)C=CC4=CC(=C(C=C4)O)OC)O","RDRVIUAYIZHUKD-DDEWIXKASA-N",155806818,NA,"PDBC41531","757927","Present",NA,NA
+"41532","N-(3-Chloro-4-fluorophenyl)-4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-4-(2-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=S)N1)C2=CC=CC=C2Cl)C(=O)NC3=CC(=C(C=C3)F)Cl","QQLSRWADRJPXMX-UHFFFAOYSA-N",24203928,NA,"PDBC41532","730187","Present",NA,NA
+"41533","N-(3-Chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=O)N1)C2=CC=CC=C2O)C(=O)NC3=CC(=C(C=C3)F)Cl","SHSNEUUNUCKVNF-UHFFFAOYSA-N",24205452,NA,"PDBC41533","735810","Present",NA,NA
+"41534","N-(3-Chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-4-(2-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=S)N1)C2=CC=CC=C2O)C(=O)NC3=CC(=C(C=C3)F)Cl","OFAHDVOHZSYRGX-UHFFFAOYSA-N",24203840,NA,"PDBC41534","729776","Present",NA,NA
+"41535","N-(3-Chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl","RUAGSHFYMGECDP-UHFFFAOYSA-N",24205454,NA,"PDBC41535","735812","Present",NA,NA
+"41536","N-(3-Chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-4-(3-chlorophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl","MXWJTZYGVILJDJ-UHFFFAOYSA-N",24203929,NA,"PDBC41536","730188","Present",NA,NA
+"41537","N-(3-Chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)O)C(=O)NC3=CC(=C(C=C3)F)Cl","YIPHLPARQMKDPQ-UHFFFAOYSA-N",24205456,NA,"PDBC41537","735814","Present",NA,NA
+"41538","N-(3-Chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-4-(3-hydroxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)O)C(=O)NC3=CC(=C(C=C3)F)Cl","SSOQEYIEPQVERL-UHFFFAOYSA-N",24203932,NA,"PDBC41538","730191","Present",NA,NA
+"41539","N-(3-Chloro-4-fluorophenyl)-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC)C(=O)NC3=CC(=C(C=C3)F)Cl","DJPLRGPPZDRREQ-UHFFFAOYSA-N",24203931,NA,"PDBC41539","730190","Present",NA,NA
+"41540","N-(3-Chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-4-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=C(C=C3)F)Cl","KAHFQGWVFTXRIF-UHFFFAOYSA-N",24205457,NA,"PDBC41540","735815","Present",NA,NA
+"41541","N-(3-Chloro-4-fluorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-1,3-thiazol-2-amine",NA,"C1=CC(=C(C=C1NC2=NC=C(S2)C3=CC(=C(C=C3Cl)Cl)F)Cl)F","MMMKYGFBMBKYBO-UHFFFAOYSA-N",406887,NA,"PDBC41541","725206","Present",NA,NA
+"41542","N-(3-Chloro-4-fluorophenyl)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)F)Cl","ZCJBNVWYEPHSRE-UHFFFAOYSA-N",24205455,NA,"PDBC41542","735813","Present",NA,NA
+"41543","N-(3-Chloro-4-fluorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-fluorophenyl)-6-methyl-4-(3-phenoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(NC(=S)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)NC4=CC(=C(C=C4)F)Cl","SCSGPENBYFQVOA-UHFFFAOYSA-N",24203930,NA,"PDBC41543","730189","Present",NA,NA
+"41544","N-(3-Chloro-4-methoxyphenyl)-2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-methoxyphenyl)-2-(4-chloro-2-methylanilino)-6-(trifluoromethyl)pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NC3=CC(=C(C=C3)OC)Cl","HLWNABZKZFVELA-UHFFFAOYSA-N",44456817,NA,"PDBC41544","740982","Present",NA,NA
+"41545","N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-4-methyl-phenyl)-1-cyano-methanethioamide",NA,"CC1=C(C=C(C=C1)NC(=S)C#N)Cl","MKYAHUOBFHQPIH-UHFFFAOYSA-N",3317094,NA,"PDBC41545","339602","Present",NA,NA
+"41546","N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-2-(dimethylamino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-2-(dimethylamino)acetamide",NA,"CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CN(C)C","OXVAMFOKPUJRPQ-UHFFFAOYSA-N",366830,NA,"PDBC41546","635602","Present",NA,NA
+"41547","N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(1-piperidinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(1-piperidinyl)propanamide",NA,"CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CCN4CCCCC4","WERRZETVKYYIIY-UHFFFAOYSA-N",375992,NA,"PDBC41547","656357","Present",NA,NA
+"41548","N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(4-(2-hydroxyethyl)-1-piperazinyl)propanamide",NA,"CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CCN4CCN(CC4)CCO","PLXNZYLEZNYLHB-UHFFFAOYSA-N",375988,NA,"PDBC41548","656354","Present",NA,NA
+"41549","N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(diethylamino)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloro-5-methyl-9H-xanthen-9-yl)-3-(diethylamino)propanamide",NA,"CCN(CC)CCC(=O)NC1C2=C(C=C(C=C2)Cl)OC3=C(C=CC=C13)C","HDMNGWOXOWJJKZ-UHFFFAOYSA-N",375991,NA,"PDBC41549","656356","Present",NA,NA
+"41550","N-(3-Chlorophenyl)-1-cyanomethanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-3-[(cyanocarbonothioyl)amino]benzene",NA,"C1=CC(=CC(=C1)Cl)NC(=S)C#N","QUILNKKTILOYNC-UHFFFAOYSA-N",4613403,NA,"PDBC41550","369316","Present",NA,NA
+"41551","N-(3-Chlorophenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,"C1COC(=O)C1C(=O)CC(=O)C(=O)NC2=CC(=CC=C2)Cl","DZFDBCCPZLHMKU-UHFFFAOYSA-N",361006,NA,"PDBC41551","623739","Present",NA,NA
+"41552","N-(3-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"C1=CC=C2C(=C1)NC(=O)C(S2(=O)=O)CC(=O)NC3=CC(=CC=C3)Cl","ADNPZYGKSDNZHO-UHFFFAOYSA-N",366131,NA,"PDBC41552","634418","Present",NA,NA
+"41553","N-(3-Chlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2H-1,4-Benzothiazin-3-one, 2-[2-(3-chlorophenylamino)-2-...",NA,"C1=CC=C2C(=C1)NC(=O)C(S2=O)CC(=O)NC3=CC(=CC=C3)Cl","BEVBCVNDNQPJHA-UHFFFAOYSA-N",365332,NA,"PDBC41553","632923","Present",NA,NA
+"41554","N-(3-Chlorophenyl)-2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide",NA,"CSC(=C(C#N)C(=O)NC1=CC(=CC=C1)Cl)SC","ASDQIARSXUCZAT-UHFFFAOYSA-N",390305,NA,"PDBC41554","687597","Present",NA,NA
+"41555","N-(3-Chlorophenyl)-2-methyl-6-nitro-4-oxoquinazoline-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-2-methyl-6-nitro-4-oxoquinazoline-3-carbothioamide",NA,"CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N1C(=S)NC3=CC(=CC=C3)Cl","CGMADCUQYWISPT-UHFFFAOYSA-N",5472399,NA,"PDBC41555","718387","Present",NA,NA
+"41556","N-(3-Chlorophenyl)-3-(2-(4-((2-cyanoethyl)(methylsulfonyl)amino)benzylidene)hydrazino)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-N'-[(E)-[4-[2-cyanoethyl(methylsulfonyl)amino]phenyl]methylideneamino]propanediamide",NA,"CS(=O)(=O)N(CCC#N)C1=CC=C(C=C1)C=NNC(=O)CC(=O)NC2=CC(=CC=C2)Cl","NJTQWLVWXRVHJC-OEAKJJBVSA-N",9555828,NA,"PDBC41556","638221","Present",NA,NA
+"41557","N-(3-Chlorophenyl)-3-(4-((2-ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-3-(4-((2-ethoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"CCOC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5","GBUUMLWMJWBECT-UHFFFAOYSA-N",372600,NA,"PDBC41557","647961","Present",NA,NA
+"41558","N-(3-Chlorophenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"CC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5","QSTROFQJAAFIMJ-UHFFFAOYSA-N",369124,NA,"PDBC41558","640672","Present",NA,NA
+"41559","N-(3-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC(=CC=C3)Cl)C4=CC=CC=C4)N=NC5=CC=C(C=C5)Cl","DROBQIDBQOWYNQ-UHFFFAOYSA-N",383188,NA,"PDBC41559","671309","Present",NA,NA
+"41560","N-(3-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"COC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5","AXRGTLBJYRDFIL-UHFFFAOYSA-N",369380,NA,"PDBC41560","641142","Present",NA,NA
+"41561","N-(3-Chlorophenyl)-3-cyano-2-((3-hydroxy-2-naphthoyl)hydrazono)-3-(2-methylphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-3-cyano-2-((3-hydroxy-2-naphthoyl)hydrazono)-3-(2-methylphenyl)propanamide",NA,"CC1=CC=CC=C1C(C#N)C(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)C(=O)NC4=CC(=CC=C4)Cl","KJHDIKSMXUGIOK-FSRJSHLRSA-N",9555789,NA,"PDBC41561","625906","Present",NA,NA
+"41562","N-(3-Chlorophenyl)-3-cyano-3-(2-methylphenyl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-3-cyano-3-(2-methylphenyl)-2-oxopropanamide",NA,"CC1=CC=CC=C1C(C#N)C(=O)C(=O)NC2=CC(=CC=C2)Cl","ICIFMZDRDVSQMW-UHFFFAOYSA-N",366968,NA,"PDBC41562","636130","Present",NA,NA
+"41563","N-(3-Chlorophenyl)-3-hydrazino-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-3-hydrazino-3-oxopropanamide",NA,"C1=CC(=CC(=C1)Cl)NC(=O)CC(=O)NN","DBAGCVUFFLVICX-UHFFFAOYSA-N",385912,NA,"PDBC41563","677374","Present",NA,NA
+"41564","N-(3-Chlorophenyl)-3-oxo-3-(2-(2-oxo-2-((5-phenyl-1,3,4-thiadiazol-2-yl)amino)ethyl)hydrazino)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-3-oxo-3-[2-[2-oxo-2-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]ethyl]hydrazinyl]propanamide",NA,"C1=CC=C(C=C1)C2=NN=C(S2)NC(=O)CNNC(=O)CC(=O)NC3=CC(=CC=C3)Cl","DIAURNOGQWMBSF-UHFFFAOYSA-N",370001,NA,"PDBC41564","642565","Present",NA,NA
+"41565","N-(3-Chlorophenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide",NA,"C1C(N(N=C1N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC(=CC=C4)Cl)C5=CC=CC=C5","AZGOVDPGVIHRHL-UHFFFAOYSA-N",389692,NA,"PDBC41565","686236","Present",NA,NA
+"41566","N-(3-Chlorophenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide",NA,"C1CC(=O)C(CC1=O)C(=O)CCC(=O)NC2=CC(=CC=C2)Cl","JGZLIPPRQKQJBW-UHFFFAOYSA-N",364278,NA,"PDBC41566","630295","Present",NA,NA
+"41567","N-(3-Chlorophenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)cyclopentyl)-4-oxobutanamide",NA,"C1CC(C(=NNC(=O)C(=O)NN)C1)C(=O)CCC(=O)NC2=CC(=CC=C2)Cl","JUZLGRHTZGULEH-LPYMAVHISA-N",6299355,NA,"PDBC41567","632013","Present",NA,NA
+"41568","N-(3-Chlorophenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C(=O)NC5=CC(=CC=C5)Cl","WWCNKUDKBYRCCD-UHFFFAOYSA-N",369453,NA,"PDBC41568","641223","Present",NA,NA
+"41569","N-(3-Chlorophenyl)-4-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-4-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-4-oxobutanamide",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)CCC(=O)NC3=CC(=CC=C3)Cl","ZFTJOYJEPJVCAJ-UHFFFAOYSA-N",364275,NA,"PDBC41569","630292","Present",NA,NA
+"41570","N-(3-Chlorophenyl)-4-phenyl-3-(4-phenoxyphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-4-phenyl-3-(4-phenoxyphenyl)butanamide",NA,"C1=CC=C(C=C1)CC(CC(=O)NC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)OC4=CC=CC=C4","AIHFRJGXLLKUKB-UHFFFAOYSA-N",403107,NA,"PDBC41570","717579","Present",NA,NA
+"41571","N-(3-Chlorophenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-5,6-bis(4-methoxyphenyl)-4,6-dioxohexanamide",NA,"COC1=CC=C(C=C1)C(C(=O)CCC(=O)NC2=CC(=CC=C2)Cl)C(=O)C3=CC=C(C=C3)OC","LNBOJHOVVGGEGQ-UHFFFAOYSA-N",361459,NA,"PDBC41571","624481","Present",NA,NA
+"41572","N-(3-Chlorophenyl)-5-cyano-4-oxo-5-phenylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-5-cyano-4-oxo-5-phenylpentanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=O)CCC(=O)NC2=CC(=CC=C2)Cl","WOEBZJIRQNFHLB-UHFFFAOYSA-N",365043,NA,"PDBC41572","632001","Present",NA,NA
+"41573","N-(3-Chlorophenyl)-6-(4-chlorophenyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-6-(4-chlorophenyl)-4,6-dioxohexanamide",NA,"C1=CC(=CC(=C1)Cl)NC(=O)CCC(=O)CC(=O)C2=CC=C(C=C2)Cl","BUFPZLCUUGTEEP-UHFFFAOYSA-N",360654,NA,"PDBC41573","622972","Present",NA,NA
+"41574","N-(3-Chlorophenyl)-6-(4-chlorophenyl)-4-(hydroxyimino)-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-6-(4-chlorophenyl)-4-(hydroxyimino)-6-oxohexanamide",NA,"C1=CC(=CC(=C1)Cl)NC(=O)CCC(=NO)CC(=O)C2=CC=C(C=C2)Cl","WCYPTFIMKVPIEH-CJLVFECKSA-N",9570018,NA,"PDBC41574","632035","Present",NA,NA
+"41575","N-(3-Chlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide",NA,"C1=CC(=CC(=C1)Cl)NC(=O)CCC(=O)CC(=O)C2=CC=C(C=C2)F","VFWGESVKDCYDLY-UHFFFAOYSA-N",360652,NA,"PDBC41575","622970","Present",NA,NA
+"41576","N-(3-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea",NA,"CC1=CC(=NC(=C1)NC(=S)NC2=CC(=CC=C2)Cl)C","LUMNZYDYRRCLAR-UHFFFAOYSA-N",3005374,NA,"PDBC41576","695062","Present",NA,NA
+"41577","N-(3-Chlorophenyl)-N-methyl-2-((triisopropylsilyl)oxy)-1-cyclohexene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chlorophenyl)-N-methyl-2-((triisopropylsilyl)oxy)-1-cyclohexene-1-carboxamide",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=C(CCCC1)C(=O)N(C)C2=CC(=CC=C2)Cl","PKCIPHAOCONFDA-UHFFFAOYSA-N",395114,NA,"PDBC41577","699404","Present",NA,NA
+"41578","N-(3-Chloropropyl)-2-(8-((3-chloropropyl)amino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Chloropropyl)-2-[8-(3-chloropropylamino)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCCl)CC(=O)NCCCCl","FAGATXXWBYXIBN-UHFFFAOYSA-N",392204,NA,"PDBC41578","692337","Present",NA,NA
+"41579","N-(3-Cinnolinyl)-N-methyl-N-phenylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Cinnolinyl)-N-methyl-N-phenylamine",NA,"CN(C1=CC=CC=C1)C2=CC3=CC=CC=C3N=N2","UZJUJYQZXBXUBO-UHFFFAOYSA-N",373153,NA,"PDBC41579","649094","Present",NA,NA
+"41580","N-(3-Cyano-4-methyl-1H-indol-7-yl)-3-cyanobenzene-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC719239///NSC777573",NA,"CC1=C2C(=CNC2=C(C=C1)NS(=O)(=O)C3=CC=CC(=C3)C#N)C#N","LWGUASZLXHYWIV-UHFFFAOYSA-N",196970,NA,"PDBC41580","719239///777573","Present",NA,NA
+"41581","N-(3-Cyano-9,14-dioxo-9,14-dihydronaphtho[2,3-b]thieno[2,3-d][1]benzoxepin-2-yl)-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetamide, n-(3-cyano-9,14-dihydro-9,14-dioxonaphtho[2,3...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=CC=CC=C4C5=C3SC(=C5C#N)NC(=O)C(F)(F)F","YVHLTFVHTRFJQO-UHFFFAOYSA-N",389769,NA,"PDBC41581","686365","Present",NA,NA
+"41582","N-(3-Cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Cyclohexyl-4-oxo-3,4-dihydro-2-quinazolinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3C(=O)N2C4CCCCC4","WQWYUQJWGKQWSU-UHFFFAOYSA-N",390176,NA,"PDBC41582","687323","Present",NA,NA
+"41583","N-(3-Ethylphenyl)-2-mercapto-6-(2-phenylvinyl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Ethylphenyl)-2-mercapto-6-(2-phenylvinyl)-4-pyrimidinecarboxamide",NA,"CCC1=CC(=CC=C1)NC(=O)C2=NC(=S)NC(=C2)C=CC3=CC=CC=C3","DZTXYYGRYCIDCZ-VAWYXSNFSA-N",5388106,NA,"PDBC41583","631999","Present",NA,NA
+"41584","N-(3-Fluoro-1-adamantyl)-N'-(4-methylphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3-fluoro-1-adamantyl)-3-(p-tolyl)urea",NA,"CC1=CC=C(C=C1)NC(=O)NC23CC4CC(C2)CC(C4)(C3)F","OVJGQSDGECULTC-UHFFFAOYSA-N",371831,NA,"PDBC41584","646347","Present",NA,NA
+"41585","N-(3-Fluoro-1-adamantyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Fluoro-1-adamantyl)benzamide",NA,"C1C2CC3(CC1CC(C2)(C3)F)NC(=O)C4=CC=CC=C4","NPDZQNMQIMSSQA-UHFFFAOYSA-N",371827,NA,"PDBC41585","646343","Present",NA,NA
+"41586","N-(3-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,"C1=CC=C(C(=C1)N=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)NC4=CC(=CC=C4)F)F","BDJZSFKHCQEFIO-UHFFFAOYSA-N",135426696,NA,"PDBC41586","709567","Present",NA,NA
+"41587","N-(3-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,"C1=CC(=CC(=C1)F)NC(=O)C2=CC3=C(C=C(C=C3)O)OC2=NC4=CC(=CC=C4)F","KVKGQEJNCSMXBA-UHFFFAOYSA-N",135426697,NA,"PDBC41587","709568","Present",NA,NA
+"41588","N-(3-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC(=CC=C3)F)O","BGTSLNMFJGOCLM-UHFFFAOYSA-N",135426701,NA,"PDBC41588","709579","Present",NA,NA
+"41589","N-(3-Fluorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Fluorophenyl)-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide",NA,"CC12CC(C(C(=O)N1)C(=O)NC3=CC(=CC=C3)F)C4=CC=CC=C4O2","VJIYAXIFEKUZFJ-UHFFFAOYSA-N",399141,NA,"PDBC41589","709560","Present",NA,NA
+"41590","N-(3-Hydroxy-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Hydroxy-5-imino-7-methyl-8-oxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide",NA,"CC1=C(C(=N)C2=C(C1=O)N3CCC(C3=N2)O)NC(=O)C","SAZHZLQIWXWAOA-UHFFFAOYSA-N",374652,NA,"PDBC41590","652728","Present",NA,NA
+"41591","N-(3-Hydroxy-7-methyl-5-nitro-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Acetamido-3-hydroxy-7-methyl-5-nitro-2,3-dihydro-1H-py...",NA,"CC1=CC2=C(C(=C1NC(=O)C)[N+](=O)[O-])N=C3N2CCC3O","LGKWVDAZPAPNBO-UHFFFAOYSA-N",389495,NA,"PDBC41591","685718","Present",NA,NA
+"41592","N-(3-Hydroxystyryl)formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Formamide, N-[2-(3-hydroxyphenyl)ethene-1-yl]-, (E)-",NA,"C1=CC(=CC(=C1)O)C=CNC=O","VWWNHOUXNGXHFN-SNAWJCMRSA-N",5386517,NA,"PDBC41592","613467","Present",NA,NA
+"41593","N-(3-Imidazol-1-ylpropyl)-4-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)ethenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(1H-imidazol-1-yl)propyl)-4-(1-(3,5,5,8,8-pentameth...",NA,"CC1=CC2=C(C=C1C(=C)C3=CC=C(C=C3)C(=O)NCCCN4C=CN=C4)C(CCC2(C)C)(C)C","LPRUXCDLJAJASM-UHFFFAOYSA-N",155811351,NA,"PDBC41593","761560","Present",NA,NA
+"41594","N-(3-Iodo-1-propyl)-5,3-dimethoxy-8,9-methylened ioxy-5,11-dioxo-11H-indeno-[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Iodo-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9-methyl...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCI)OC","FPLRDWAICLYEFY-UHFFFAOYSA-N",45027806,NA,"PDBC41594","722900","Present",NA,NA
+"41595","N-(3-Methoxyphenethyl)-3,3,3-triphenylpropionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methoxyphenethyl)-3,3,3-triphenylpropionamide",NA,"COC1=CC=CC(=C1)CCNC(=O)CC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","ATYCXXPKHGTIRN-UHFFFAOYSA-N",11453337,NA,"PDBC41595","730691","Present",NA,NA
+"41596","N-(3-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,"COC1=CC=CC(=C1)NC(=O)CC(=O)N2C(CC(=N2)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6","ZMKICOUSXJMKSS-UHFFFAOYSA-N",357546,NA,"PDBC41596","617010","Present",NA,NA
+"41597","N-(3-Methoxyphenyl)-N-[(5-oxo-2H-pyrrol-1-yl)methyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methoxyphenyl)-N-[(5-oxo-2H-pyrrol-1-yl)methyl]acetamide",NA,"CC(=O)N(CN1CC=CC1=O)C2=CC(=CC=C2)OC","YZBFANOCCBXZHK-UHFFFAOYSA-N",389189,NA,"PDBC41597","684873","Present",NA,NA
+"41598","N-(3-Methoxyphenyl)furo[3,2-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methoxyphenyl)furo[3,2-c]quinolin-4-amine",NA,"COC1=CC=CC(=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","ZXZKJIWJYQMQCJ-UHFFFAOYSA-N",24203912,NA,"PDBC41598","730142","Present",NA,NA
+"41599","N-(3-Methoxypropyl)acridin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methoxypropyl)acridin-9-amine",NA,"COCCCNC1=C2C=CC=CC2=NC3=CC=CC=C31","IGGGYUPEFQQBLD-UHFFFAOYSA-N",387997,NA,"PDBC41599","682360","Present",NA,NA
+"41600","N-(3-Methyl-1,4-dioxonaphthalen-2-yl)-2-oxo-2-[2-(pyridine-4-carbonyl)hydrazinyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Isonicotinoylhydrazino)-N-(3-methyl-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-2-oxoacetamide",NA,"CC1=C(C2=CC=CC=C2C(=C1NC(=O)C(=O)N=NC(=O)C3=CC=NC=C3)O)O","FLEJZGYNIIZHJS-UHFFFAOYSA-N",371992,NA,"PDBC41600","646807","Present",NA,NA
+"41601","N-(3-Methyl-4-(phenylimino)-1,3-thiazetidin-2-ylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzeneamine, N,N'-(3-methyl-1,3-thiazetidine-2,4- diyli...",NA,"CN1C(=NC2=CC=CC=C2)SC1=NC3=CC=CC=C3","NELCYIJPKJMGMV-UHFFFAOYSA-N",364040,NA,"PDBC41601","629656","Present",NA,NA
+"41602","N-(3-Methyl-7-phenylmethoxy-1H-indol-5-yl)-N-prop-2-enylmethanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methyl-7-phenylmethoxy-1H-indol-5-yl)-N-prop-2-enylmethanesulfonamide",NA,"CC1=CNC2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)S(=O)(=O)C","FJAAWJJHILSRHD-UHFFFAOYSA-N",396966,NA,"PDBC41602","704203","Present",NA,NA
+"41603","N-(3-Methyl-7-phenylmethoxy-2-prop-2-enyl-1H-indol-5-yl)-N-prop-2-enylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methyl-7-phenylmethoxy-2-prop-2-enyl-1H-indol-5-yl)-N-prop-2-enylacetamide",NA,"CC1=C(NC2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)C(=O)C)CC=C","YGEJLFWWCCVNTB-UHFFFAOYSA-N",396974,NA,"PDBC41603","704211","Present",NA,NA
+"41604","N-(3-Methylbenzyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4-d]pyrimidin-4-amine, N-[(3-methylphenyl)methyl]-",NA,"CC1=CC(=CC=C1)CNC2=NC=NC3=C2C=NN3","UTHHQUPEUGZVEP-UHFFFAOYSA-N",240424,NA,"PDBC41604","46613","Present",NA,NA
+"41605","N-(3-Methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;hydrochloride",NA,"CC(C)CCNC1=NC=NC2=C1C=NN2.Cl","DVARLYVHVXIUOR-UHFFFAOYSA-N",5351641,NA,"PDBC41605","11607","Present",NA,NA
+"41606","N-(3-Methylbutyl)-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylbutyl)-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide",NA,"CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C(=CC2=CC=CC=C2)C","GFYSCQFSUNMNIC-OBGWFSINSA-N",5470473,NA,"PDBC41606","702119","Present",NA,NA
+"41607","N-(3-Methylbutyl)-4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylbutyl)-4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzamide",NA,"CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CSC(=N2)C3=CC=CC=C3","RMNVILJZKAUILA-OUKQBFOZSA-N",5470487,NA,"PDBC41607","702133","Present",NA,NA
+"41608","N-(3-Methylbutyl)-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylbutyl)-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,"CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC(=CC=C2)OC3=CC=CC=C3","AUQOJNJKNLKYKD-DTQAZKPQSA-N",5470472,NA,"PDBC41608","702118","Present",NA,NA
+"41609","N-(3-Methylbutyl)-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylbutyl)-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,"CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3","POUOCXRKMBDDAH-SFQUDFHCSA-N",5470476,NA,"PDBC41609","702122","Present",NA,NA
+"41610","N-(3-Methylbutyl)-4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylbutyl)-4-[[[(E)-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enoyl]amino]methyl]benzamide",NA,"CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC=C(O2)C3=CC=CC=C3[N+](=O)[O-]","SPIIAAPSHZTYFB-WYMLVPIESA-N",5470478,NA,"PDBC41610","702124","Present",NA,NA
+"41611","N-(3-Methylbutyl)-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylbutyl)-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide",NA,"CC(C)CCNC(=O)C1=CC=C(C=C1)CNC(=O)C=CC2=CC3=CC=CC=C3C=C2","HVLJYHQCIBHALT-GXDHUFHOSA-N",5470481,NA,"PDBC41611","702127","Present",NA,NA
+"41612","N-(3-Methylisoxazole-5-yl)-2-[1-(4-fluorobenzyl)-4-methoxy-1H-indole-3-yl]-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylisoxazole-5-yl)-2-[1-(4-fluorobenzyl)-4-methoxy-1H-indole-3-yl]-2-oxoacetamide",NA,"CC1=NOC(=C1)NC(=O)C(=O)C2=CN(C3=C2C(=CC=C3)OC)CC4=CC=C(C=C4)F","RNDITTSQGPGIAB-UHFFFAOYSA-N",42624803,NA,"PDBC41612","746058","Present",NA,NA
+"41613","N-(3-Methylphenyl)-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylphenyl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-sulfonamide",NA,"CC1=CC(=CC=C1)NS(=O)(=O)C2=CC3=C(C=C2)OCCOCCOCCOCCO3","WUMWYQXFXMWTPA-UHFFFAOYSA-N",376528,NA,"PDBC41613","657487","Present",NA,NA
+"41614","N-(3-Methylphenyl)-2,4,7-trinitrofluoren-9-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylphenyl)-2,4,7-trinitrofluoren-9-imine",NA,"CC1=CC(=CC=C1)N=C2C3=C(C=CC(=C3)[N+](=O)[O-])C4=C2C=C(C=C4[N+](=O)[O-])[N+](=O)[O-]","TXXZCDVOLGIYSQ-UHFFFAOYSA-N",229543,NA,"PDBC41614","23297","Present",NA,NA
+"41615","N-(3-Methylphenyl)-3-oxo-3-[3-(10H-phenothiazin-10-yl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Methylphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,"CC1=CC(=CC=C1)NC(=O)CC(=O)N2C(CC(=N2)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6","HDNCLLWLPYXHER-UHFFFAOYSA-N",389695,NA,"PDBC41615","686239","Present",NA,NA
+"41616","N-(3-Methylphenyl)-N-(phenylsulfonyl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ADAL1086491",NA,"CC1=CC(=CC=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2","CRRKUZBZMCUHGR-UHFFFAOYSA-N",362733,NA,"PDBC41616","626988","Present",NA,NA
+"41617","N-(3-Oxo-1$l^{3},2-benziodoxol-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Oxo-1$l^{3},2-benziodoxol-1-yl)propanamide",NA,"CCC(=O)NI1C2=CC=CC=C2C(=O)O1","ICJHHIMYKINGSR-UHFFFAOYSA-N",390371,NA,"PDBC41617","687713","Present",NA,NA
+"41618","N-(3-Oxo-1,2-oxazolidin-4-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetylcycloserine",NA,"CC(=O)NC1CONC1=O","LRLUMFQYCZKIPN-UHFFFAOYSA-N",314476,NA,"PDBC41618","231950","Present",NA,NA
+"41619","N-(3-Oxo-4,4a,5,6-tetrahydro-2H-thieno[2,3-h]cinnolin-8-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Oxo-2,3,4,4a,5,6-hexahydrothieno[2,3-h]cinnolin-8-yl)acetamide",NA,"CC(=O)NC1=CC2=C(S1)CCC3C2=NNC(=O)C3","KMBRBFWWPWTKCU-UHFFFAOYSA-N",376211,NA,"PDBC41619","656779","Present",NA,NA
+"41620","N-(3-Phenylallylidene)-9H-fluoren-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Phenylallylidene)-9H-fluoren-2-amine",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC=CC4=CC=CC=C4","KNNZYQMTSPFAGR-NNQNRFHUSA-N",5351660,NA,"PDBC41620","15234","Present",NA,NA
+"41621","N-(3-Phenylpropyl)-1,2,3-benzotriazin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Phenylpropyl)-1,2,3-benzotriazin-4-amine",NA,"C1=CC=C(C=C1)CCCNC2=NN=NC3=CC=CC=C32","HQWLLFQQPGKRBI-UHFFFAOYSA-N",300101,NA,"PDBC41621","174201","Present",NA,NA
+"41622","N-(3-Quinolylcarbonyl)-N-methyl-L-alaninamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-Quinolylcarbonyl)-N-methyl-L-alaninamide",NA,"CC(C(=O)N)N(C)C(=O)C1=CC2=CC=CC=C2N=C1","BKPOJMXKCQIJAB-UHFFFAOYSA-N",363836,NA,"PDBC41622","629103","Present",NA,NA
+"41623","N-(3-{(2E)-3-[4-(Diethylamino)phenyl]prop-2-enoyl}phenyl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-{(2E)-3-[4-(diethylamino)phenyl]prop-2-enoyl}phenyl...",NA,"CCN(CC)C1=CC=C(C=C1)C=CC(=O)C2=CC(=CC=C2)NS(=O)(=O)C","UTIXHNGGJDENRC-SDNWHVSQSA-N",54612807,NA,"PDBC41623","749245","Present",NA,NA
+"41624","N-(4'-Di-2''-chloroethylaminophenyl)-3,5-dimethylbenzoquinoneimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Cyclohexadien-1-one, 4-[[4-[bis(2-chloroethyl)amino]...",NA,"CC1=CC(=NC2=CC=C(C=C2)N(CCCl)CCCl)C=C(C1=O)C","ZRDXRTAXSVPVHX-UHFFFAOYSA-N",116416,NA,"PDBC41624","240529","Present",NA,NA
+"41625","N-(4'-Hydroxy-3'-methoxy-cinnamoyl)-3-O-methyl-17alpha(amino methyl)estra-1,5(10)-trien-3,17b-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4'-Hydroxy-3'-methoxy-cinnamoyl)-3-O-methyl-17alpha(a...",NA,"CC12CCC3C(C1CCC2(CNC(=O)C=CC4=CC(=C(C=C4)O)OC)O)CCC5=C3C=CC(=C5)OC","ALPYCJKNTCKLGE-JPJKIRGJSA-N",24205448,NA,"PDBC41625","735779","Present",NA,NA
+"41626","N-(4'-Hydroxy-3'-methoxycinnamoyl)-17a-aminomethyl-estra-1,5(10)-trien-3,17b-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4'-Hydroxy-3'-methoxycinnamoyl)-17a-aminomethyl-estra...",NA,"CC12CCC3C(C1CCC2(CNC(=O)C=CC4=CC(=C(C=C4)O)OC)O)CCC5=C3C=CC(=C5)O","UZUMSBZARFGUGT-ZTCDFVCCSA-N",24205473,NA,"PDBC41626","735946","Present",NA,NA
+"41627","N-(4,10-Dioxo-[1,2,4]triazino[6,1-b]quinazolin-3-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,10-Dioxo-[1,2,4]triazino[6,1-b]quinazolin-3-yl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NN2C=NN3C(=NC4=CC=CC=C4C3=O)C2=O","BEMQOXLEFBLLJX-UHFFFAOYSA-N",389563,NA,"PDBC41627","685869","Present",NA,NA
+"41628","N-(4,5-Bis(hydroxy(oxido)amino)-2-methoxyphenyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,5-Bis(hydroxy(oxido)amino)-2-methoxyphenyl)butanamide",NA,"CCCC(=O)NC1=CC(=C(C=C1OC)[N+](=O)[O-])[N+](=O)[O-]","ZYCBVSIJSINLPA-UHFFFAOYSA-N",354341,NA,"PDBC41628","605763","Present",NA,NA
+"41629","N-(4,5-Dimethyl-1,3-oxazol-2-yl)-4-[(1,3-dioxoisoindol-2-yl)methylamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,5-Dimethyl-1,3-oxazol-2-yl)-4-[(1,3-dioxoisoindol-2-yl)methylamino]benzenesulfonamide",NA,"CC1=C(OC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NCN3C(=O)C4=CC=CC=C4C3=O)C","HARRZLXORNVJBA-UHFFFAOYSA-N",45027916,NA,"PDBC41629","740119","Present",NA,NA
+"41630","N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(E)-(4-oxochromen-3-ylidene)methyl]phenoxy]acetamide",NA,"CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)C=C3COC4=CC=CC=C4C3=O)C","UPGLSWSUWFICJA-LICLKQGHSA-N",45028760,NA,"PDBC41630","744065","Present",NA,NA
+"41631","N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(5-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide",NA,"CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)C=C3C(=O)C4=C(O3)C=CC(=C4)OC)C","ZUGCFVKVDHHOMR-JMIUGGIZSA-N",45028684,NA,"PDBC41631","743696","Present",NA,NA
+"41632","N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,5-Dimethyl-1,3-thiazol-2-yl)-2-[3-[(Z)-(6-methoxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenoxy]acetamide",NA,"CC1=C(SC(=N1)NC(=O)COC2=CC=CC(=C2)C=C3C(=O)C4=C(O3)C=C(C=C4)OC)C","QLYWGCVOWYAPIA-JMIUGGIZSA-N",45028676,NA,"PDBC41632","743688","Present",NA,NA
+"41633","N-(4,6-Bis(aminosulfonyl)-3-chloro-2-methylphenyl)-4-chlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Bis(aminosulfonyl)-3-chloro-2-methylphenyl)-4-chlorobenzamide",NA,"CC1=C(C(=CC(=C1Cl)S(=O)(=O)N)S(=O)(=O)N)NC(=O)C2=CC=C(C=C2)Cl","WPSGQNFKDREQNP-UHFFFAOYSA-N",230723,NA,"PDBC41633","25869","Present",NA,NA
+"41634","N-(4,6-Dimethyl-2-pyridyl)-5-bromothiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Dimethyl-2-pyridyl)-5-bromothiophene-2-carboxamide",NA,"CC1=CC(=NC(=C1)NC(=O)C2=CC=C(S2)Br)C","QMSNSTPCFPEKDI-UHFFFAOYSA-N",396664,NA,"PDBC41634","703178","Present",NA,NA
+"41635","N-(4,6-Dimethyl-2-pyrimidinyl)-4-(2-((9-(2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-4-acridinyl)carbonyl)hydrazino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Dimethylpyrimidin-2-yl)-4-[2-[4-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]carbamoyl]acridin-9-yl]hydrazinyl]benzenesulfonamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NNC6=CC=C(C=C6)S(=O)(=O)NC7=NC(=CC(=N7)C)C)C","WEWOJNVNZYVRNU-UHFFFAOYSA-N",385794,NA,"PDBC41635","677188","Present",NA,NA
+"41636","N-(4,6-Dimethyl-2-pyrimidinyl)-4-(2-((9-oxo-9,10-dihydro-4-acridinyl)carbonyl)hydrazino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Dimethylpyrimidin-2-yl)-4-[2-(9-oxo-10H-acridine-4-carbonyl)hydrazinyl]benzenesulfonamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC(=O)C3=CC=CC4=C3NC5=CC=CC=C5C4=O)C","QULAJEOLRFQNKG-UHFFFAOYSA-N",385777,NA,"PDBC41636","677171","Present",NA,NA
+"41637","N-(4,6-Dimethyl-2-pyrimidinyl)-4-(2-(10-methyl-9(10H)-acridinylidene)hydrazino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Dimethyl-2-pyrimidinyl)-4-(2-(10-methyl-9(10H)-acridinylidene)hydrazino)benzenesulfonamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NN=C3C4=CC=CC=C4N(C5=CC=CC=C53)C)C","ZCXDVCZDXCBIPR-UHFFFAOYSA-N",385769,NA,"PDBC41637","677163","Present",NA,NA
+"41638","N-(4,6-Dimethyl-2-pyrimidinyl)-N'-(2-phenylethyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Guanidine, 1-(4,6-dimethyl-2-pyrimidinyl)-3-phenethyl-",NA,"CC1=CC(=NC(=N1)NC(=NCCC2=CC=CC=C2)N)C","FVBRWQIUJUHLKQ-UHFFFAOYSA-N",252116,NA,"PDBC41638","73346","Present",NA,NA
+"41639","N-(4,6-Dimethylpyrimidin-2-yl)-4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Dimethylpyrimidin-2-yl)-4-[[4-[(2-hydroxyethylamino)carbamoyl]acridin-9-yl]amino]benzenesulfonamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NNCCO)C","XEWUQXLYVKSWLS-UHFFFAOYSA-N",384537,NA,"PDBC41639","674508","Present",NA,NA
+"41640","N-(4,6-Dimethylpyrimidin-2-yl)-4-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Dimethylpyrimidin-2-yl)-4-[[4-[4-(2-hydroxyethyl)piperazine-1-carbonyl]acridin-9-yl]amino]benzenesulfonamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N6CCN(CC6)CCO)C","PWCALFKUVLRHKY-UHFFFAOYSA-N",370665,NA,"PDBC41640","644041","Present",NA,NA
+"41641","N-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-1-yl)-2-(2-methylphenoxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Dioxo-2-sulfanylidene-1,3-diazinan-1-yl)-2-(2-methylphenoxy)propanamide",NA,"CC1=CC=CC=C1OC(C)C(=O)NN2C(=O)CC(=O)NC2=S","UHXPGRFLRUYULT-UHFFFAOYSA-N",5470731,NA,"PDBC41641","704803","Present",NA,NA
+"41642","N-(4,6-Dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)-2-(2-methylphenoxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,6-Dioxo-3-phenyl-2-sulfanylidene-1,3-diazinan-1-yl)-2-(2-methylphenoxy)propanamide",NA,"CC1=CC=CC=C1OC(C)C(=O)NN2C(=O)CC(=O)N(C2=S)C3=CC=CC=C3","CSNKEOFAOMRFPN-UHFFFAOYSA-N",397269,NA,"PDBC41642","704797","Present",NA,NA
+"41643","N-(4,7-Dihydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-2,2-dimethylchromane-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chromancarboxamide, N-(4,7-dihydroxy-8-methyl-2-oxo-2H...",NA,"CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC4=C(C=C3)OC(CC4)(C)C)O","MWCZKKARWNYYQC-UHFFFAOYSA-N",54688361,NA,"PDBC41643","5157","Present",NA,NA
+"41644","N-(4,8-Dichloro-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4,8-Dichloro-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)acetamide",NA,"CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C(=C13)Cl)OC)C(=C(C(=C2Cl)OC)OC)OC","YCIZNFRTSAERPZ-UHFFFAOYSA-N",373003,NA,"PDBC41644","648791","Present",NA,NA
+"41645","N-(4-(((2-Chlorophenyl)imino)methyl)phenyl)-N-(2-cyanoethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(((2-Chlorophenyl)imino)methyl)phenyl)-N-(2-cyanoethyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=NC3=CC=CC=C3Cl","CAIIALRYULFLOG-UHFFFAOYSA-N",372595,NA,"PDBC41645","647956","Present",NA,NA
+"41646","N-(4-(((3,4-Dimethyl-5-isoxazolyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(((3,4-Dimethyl-5-isoxazolyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide",NA,"CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5C4=O","XFAODVZUFBJNCF-UHFFFAOYSA-N",385765,NA,"PDBC41646","677159","Present",NA,NA
+"41647","N-(4-(((3-Amino-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)glutamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(((3-Amino-2-phenyl-6-quinoxalinyl)methyl)amino)benzoyl)glutamic acid",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)CNC4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O)N=C2N","WNFGDTRSSXVNNW-UHFFFAOYSA-N",379033,NA,"PDBC41647","662795","Present",NA,NA
+"41648","N-(4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)NC7=NOC(=C7)C)C","SNRBRXGPLAOXTB-UHFFFAOYSA-N",365414,NA,"PDBC41648","633034","Present",NA,NA
+"41649","N-(4-(((5-Methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(((5-Methyl-3-isoxazolyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5C4=O","VMJYVQFRLNXXTM-UHFFFAOYSA-N",385764,NA,"PDBC41649","677158","Present",NA,NA
+"41650","N-(4-(((6-((4-(Acetylamino)anilino)sulfonyl)-2-methyl-4-oxo-3(4H)-quinazolinyl)amino)sulfonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[3-[(4-Acetamidophenyl)sulfonylamino]-2-methyl-4-oxoquinazolin-6-yl]sulfonylamino]phenyl]acetamide",NA,"CC1=NC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)NC(=O)C)C(=O)N1NS(=O)(=O)C4=CC=C(C=C4)NC(=O)C","YBSUTNRUYJLSIC-UHFFFAOYSA-N",390427,NA,"PDBC41650","687781","Present",NA,NA
+"41651","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-1-chloro-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C(=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl)C","LZHHBZOAGQOYSC-UHFFFAOYSA-N",365419,NA,"PDBC41651","633039","Present",NA,NA
+"41652","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-4-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","VWLNAVUASYRUIG-UHFFFAOYSA-N",370668,NA,"PDBC41652","644044","Present",NA,NA
+"41653","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-6-chloro-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-[4-(diaminomethylideneamino)sulfonylphenyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC5=C3C=CC=C5C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)Cl)C","PESIWVWBLGVFQM-UHFFFAOYSA-N",365427,NA,"PDBC41653","633047","Present",NA,NA
+"41654","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[2-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","RFIKRDGAZUMLKQ-UHFFFAOYSA-N",385787,NA,"PDBC41654","677181","Present",NA,NA
+"41655","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(2-(4-(((amino(imino)methyl)amino)sulfonyl)phenyl)hydrazino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[2-[4-(diaminomethylideneamino)sulfonylphenyl]hydrazinyl]acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NNC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","MBKQJLTXPVDTPV-UHFFFAOYSA-N",385792,NA,"PDBC41655","677186","Present",NA,NA
+"41656","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(2-(4-(aminosulfonyl)phenyl)hydrazino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Carbamimidoylsulfamoyl)phenyl]-9-[2-(4-sulfamoylphenyl)hydrazino]acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NNC5=CC=C(C=C5)S(=O)(=O)N","DETPERXTKQOXAT-UHFFFAOYSA-N",385793,NA,"PDBC41656","677187","Present",NA,NA
+"41657","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-2-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","SCVSTVLLILBLTF-UHFFFAOYSA-N",385756,NA,"PDBC41657","677150","Present",NA,NA
+"41658","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)anilino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N)C","LLYHIYQKZKAGJP-UHFFFAOYSA-N",365410,NA,"PDBC41658","633030","Present",NA,NA
+"41659","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Diaminomethylideneamino)sulfonylphenyl]-9-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]acridine-2-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","SMRNJCIBUNQURP-UHFFFAOYSA-N",385757,NA,"PDBC41659","677151","Present",NA,NA
+"41660","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(aminosulfonyl)anilino)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(aminosulfonyl)anilino)-2-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N","PBFAAKVRCJLETB-UHFFFAOYSA-N",385755,NA,"PDBC41660","677149","Present",NA,NA
+"41661","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(aminosulfonyl)anilino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-(4-(aminosulfonyl)anilino)-4-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)NC5=CC=C(C=C5)S(=O)(=O)N","RPCJUOFIXNSZBX-UHFFFAOYSA-N",365409,NA,"PDBC41661","633029","Present",NA,NA
+"41662","N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(((Amino(imino)methyl)amino)sulfonyl)phenyl)-9-oxo-9,10-dihydro-2-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","YOYVUBMPAWCSOY-UHFFFAOYSA-N",385763,NA,"PDBC41662","677157","Present",NA,NA
+"41663","N-(4-(((Dimethylamino)methylene)amino)phenyl)-N-methylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(((Dimethylamino)methylene)amino)phenyl)-N-methylacetamide",NA,"CC(=O)N(C)C1=CC=C(C=C1)N=CN(C)C","FPRDVPUSMFJIDA-UHFFFAOYSA-N",380202,NA,"PDBC41663","665669","Present",NA,NA
+"41664","N-(4-((1-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)-5-oxo-2-thioxo-4-imidazolidinylidene)methyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(E)-[1-[(Z)-(2,4-Dioxochromen-3-ylidene)methyl]-5-oxo-2-sulfanylideneimidazolidin-4-ylidene]methyl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","SYBOIIILYUMIDY-KQRVFROYSA-N",6477394,NA,"PDBC41664","658286","Present",NA,NA
+"41665","N-(4-((2,6-Dihydroxy-4-pyrimidinyl)amino)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((2,6-Dihydroxy-4-pyrimidinyl)amino)phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)NC2=CC(=O)NC(=O)N2","KSEHFHOBEJUDDZ-UHFFFAOYSA-N",385854,NA,"PDBC41665","677253","Present",NA,NA
+"41666","N-(4-((2-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-1-methylethylidene)hydrazino)sulfonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[(E)-1-(1,3-Dioxoisoindol-2-yl)propan-2-ylideneamino]sulfamoyl]phenyl]acetamide",NA,"CC(=NNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C)CN2C(=O)C3=CC=CC=C3C2=O","YHPNVCYNJVSXGT-CIAFOILYSA-N",9555859,NA,"PDBC41666","643507","Present",NA,NA
+"41667","N-(4-((2-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)hydrazino)sulfonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((2-(2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)ethylidene)hydrazino)sulfonyl)phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CCN2C(=O)C3=CC=CC=C3C2=O","UEYDEMUWHMOJRO-VXLYETTFSA-N",9555826,NA,"PDBC41667","637084","Present",NA,NA
+"41668","N-(4-((2-(2-Hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)hydrazino)sulfonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((2-(2-Hydroxy-3-(hydroxy(oxido)amino)-5-iodobenzylidene)hydrazino)sulfonyl)phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C(C(=CC(=C2)I)[N+](=O)[O-])O","JFEXLGYUCKKLPV-CAOOACKPSA-N",135429936,NA,"PDBC41668","620306","Present",NA,NA
+"41669","N-(4-((2-(4-Chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl)-3-methylphenyl)-N-(2-cyanoethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(Z)-[2-(4-Chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-3-methylphenyl]-N-(2-cyanoethyl)benzenesulfonamide",NA,"CC1=C(C=CC(=C1)N(CCC#N)S(=O)(=O)C2=CC=CC=C2)C=C3C(=O)OC(=N3)C4=CC=C(C=C4)Cl","SGPCTWSCYPAHIE-ULJHMMPZSA-N",6477334,NA,"PDBC41669","645660","Present",NA,NA
+"41670","N-(4-((2-Benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl)phenyl)-N-(2-cyanoethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((2-Benzyl-5-oxo-1,3-oxazol-4(5H)-ylidene)methyl)phenyl)-N-(2-cyanoethyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)CC2=NC(=CC3=CC=C(C=C3)N(CCC#N)S(=O)(=O)C4=CC=CC=C4)C(=O)O2","MAXPNGCWIHJGTL-MOHJPFBDSA-N",6071150,NA,"PDBC41670","645662","Present",NA,NA
+"41671","N-(4-((2-Hydroxy-4-methyl-6-quinolinyl)methyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((2-Hydroxy-4-methyl-6-quinolinyl)methyl)phenyl)acetamide",NA,"CC1=CC(=O)NC2=C1C=C(C=C2)CC3=CC=C(C=C3)NC(=O)C","LEUFIPGJGDJGLA-UHFFFAOYSA-N",269210,NA,"PDBC41671","109816","Present",NA,NA
+"41672","N-(4-((2-Methyl-2-((4-methylphenyl)sulfonyl)hydrazino)sulfonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((2-Methyl-2-((4-methylphenyl)sulfonyl)hydrazino)sulfonyl)phenyl)acetamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C","IWGZYFJCUZMFLC-UHFFFAOYSA-N",367378,NA,"PDBC41672","637067","Present",NA,NA
+"41673","N-(4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoyl)glutamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((3-(2-Thienyl)-2-quinoxalinyl)amino)benzoyl)glutamic acid",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C4=CC=CS4","SIVCJCRKNZPKFJ-UHFFFAOYSA-N",369886,NA,"PDBC41673","642080","Present",NA,NA
+"41674","N-(4-((4,6-Dihydroxy-1,3,5-triazin-2-yl)amino)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4,6-Dihydroxy-1,3,5-triazin-2-yl)amino)phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)NC2=NC(=O)NC(=O)N2","BFBIUZPVVRCWAX-UHFFFAOYSA-N",389522,NA,"PDBC41674","685813","Present",NA,NA
+"41675","N-(4-((4-((2-Hydroxy-1-naphthyl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[5-Methyl-3-oxo-4-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]-1H-pyrazole-2-carbonyl]phenyl]acetamide",NA,"CC1=C(C(=O)N(N1)C(=O)C2=CC=C(C=C2)NC(=O)C)C=C3C(=O)C=CC4=CC=CC=C43","XRCKRMGRYQIBON-BKUYFWCQSA-N",5465546,NA,"PDBC41675","652214","Present",NA,NA
+"41676","N-(4-((4-(2-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4-(2-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,"CC1=NN(C(=O)C1=CC2=CC=CC=C2O)C(=O)C3=CC=C(C=C3)NC(=O)C","BIEDPDBRUDYKKE-BOPFTXTBSA-N",135499342,NA,"PDBC41676","652205","Present",NA,NA
+"41677","N-(4-((4-(2-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4-(2-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,"CC1=NN(C(=O)C1=CC2=CC=CC=C2OC)C(=O)C3=CC=C(C=C3)NC(=O)C","JUSCYCOZZBMGHS-PDGQHHTCSA-N",5467440,NA,"PDBC41677","652208","Present",NA,NA
+"41678","N-(4-((4-(3,4-Dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4Z)-4-[(3,4-Dimethoxyphenyl)methylidene]-3-methyl-5-oxopyrazole-1-carbonyl]phenyl]acetamide",NA,"CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)OC)C(=O)C3=CC=C(C=C3)NC(=O)C","RPKJQAHOFWQAHG-WQRHYEAKSA-N",5467445,NA,"PDBC41678","652213","Present",NA,NA
+"41679","N-(4-((4-(3-(Hydroxy(oxido)amino)benzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4Z)-3-Methyl-4-[(3-nitrophenyl)methylidene]-5-oxopyrazole-1-carbonyl]phenyl]acetamide",NA,"CC1=NN(C(=O)C1=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)C","SREFKISWWUSPIG-WQRHYEAKSA-N",5467443,NA,"PDBC41679","652211","Present",NA,NA
+"41680","N-(4-((4-(3-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4-(3-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,"CC1=NN(C(=O)C1=CC2=CC(=CC=C2)O)C(=O)C3=CC=C(C=C3)NC(=O)C","YEEGYRUGKOEWMY-WQRHYEAKSA-N",5467441,NA,"PDBC41680","652209","Present",NA,NA
+"41681","N-(4-((4-(3-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4-(3-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,"CC1=NN(C(=O)C1=CC2=CC(=CC=C2)OC)C(=O)C3=CC=C(C=C3)NC(=O)C","ZTOPGTLHZIKHEG-UNOMPAQXSA-N",5467442,NA,"PDBC41681","652210","Present",NA,NA
+"41682","N-(4-((4-(4-Hydroxy-3-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4Z)-4-[(4-Hydroxy-3-methoxyphenyl)methylidene]-3-methyl-5-oxopyrazole-1-carbonyl]phenyl]acetamide",NA,"CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)O)OC)C(=O)C3=CC=C(C=C3)NC(=O)C","NLCSYPHRCRITDE-YVLHZVERSA-N",135499344,NA,"PDBC41682","652212","Present",NA,NA
+"41683","N-(4-((4-(4-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4-(4-Hydroxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)NC(=O)C","WKWZFIXERCCQLF-WQRHYEAKSA-N",135499343,NA,"PDBC41683","652207","Present",NA,NA
+"41684","N-(4-((4-(4-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4-(4-Methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)carbonyl)phenyl)acetamide",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)NC(=O)C","CAMRBUONNMLONU-UNOMPAQXSA-N",5467439,NA,"PDBC41684","652206","Present",NA,NA
+"41685","N-(4-((4-Anilino-1-benzyl-4-piperidinyl)ethynyl)-1-benzyl-4-piperidinyl)-N-phenylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4-Anilino-1-benzyl-4-piperidinyl)ethynyl)-1-benzyl-4-piperidinyl)-N-phenylamine",NA,"C1CN(CCC1(C#CC2(CCN(CC2)CC3=CC=CC=C3)NC4=CC=CC=C4)NC5=CC=CC=C5)CC6=CC=CC=C6","HUMBBWRZWQOMRB-UHFFFAOYSA-N",379997,NA,"PDBC41685","665299","Present",NA,NA
+"41686","N-(4-((5-Oxo-3-(2-phenylvinyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-6(5H)-ylidene)methyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(Z)-[5-Oxo-3-[(E)-2-phenylethenyl]-[1,3]thiazolo[2,3-c][1,2,4]triazol-6-ylidene]methyl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C=CC4=CC=CC=C4","KBNBLYDQMCBEMG-KTYKIUSQSA-N",6477126,NA,"PDBC41686","637610","Present",NA,NA
+"41687","N-(4-((5-Oxo-3-(3-pyridinyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-6(5H)-ylidene)methyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((5-Oxo-3-(3-pyridinyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-6(5H)-ylidene)methyl)phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C=C2C(=O)N3C(=NN=C3S2)C4=CN=CC=C4","OORVQTNEXRBQGH-DHDCSXOGSA-N",5388667,NA,"PDBC41687","637674","Present",NA,NA
+"41688","N-(4-((6-Chloro-2-methoxy-9-acridinyl)thio)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((6-Chloro-2-methoxy-9-acridinyl)thio)phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)SC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC","PWYMFIRPGIJITI-UHFFFAOYSA-N",371163,NA,"PDBC41688","645164","Present",NA,NA
+"41689","N-(4-((9-Acridinylmethyl)amino)-3-methoxyphenyl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((9-Acridinylmethyl)amino)-3-methoxyphenyl)methanesulfonamide",NA,"COC1=C(C=CC(=C1)NS(=O)(=O)C)NCC2=C3C=CC=CC3=NC4=CC=CC=C42","NMDJDNDZHVPDQQ-UHFFFAOYSA-N",363146,NA,"PDBC41689","627730","Present",NA,NA
+"41690","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-3-oxo-3H-benzo[f]chromene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-3-oxo-3H-benzo[f]chromene-2-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=CC7=CC=CC=C76)OC5=O","GZPNMFVPEZNCRB-UHFFFAOYSA-N",384972,NA,"PDBC41690","675802","Present",NA,NA
+"41691","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6,8-dibromo-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6,8-dibromo-2-oxo-2H-chromene-3-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=CC(=CC(=C6OC5=O)Br)Br","PHTWCQYZNCIAOP-UHFFFAOYSA-N",384967,NA,"PDBC41691","675797","Present",NA,NA
+"41692","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-(hydroxy(oxido)amino)-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-(hydroxy(oxido)amino)-2-oxo-2H-chromene-3-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=CC(=C6)[N+](=O)[O-])OC5=O","RNMNVICFUYUJKU-UHFFFAOYSA-N",384964,NA,"PDBC41692","675794","Present",NA,NA
+"41693","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-chloro-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-chloro-2-oxo-2H-chromene-3-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=CC(=C6)Cl)OC5=O","GPFYVQKYPVISDP-UHFFFAOYSA-N",384966,NA,"PDBC41693","675796","Present",NA,NA
+"41694","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-hexyl-7-hydroxy-2-oxo-2H-chromene-3-carboxamide",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)O","CHAXRYPSHJXTAV-UHFFFAOYSA-N",5466103,NA,"PDBC41694","675800","Present",NA,NA
+"41695","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-methyl-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-6-methyl-2-oxo-2H-chromene-3-carboxamide",NA,"CC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5","GTNFTNQCHVABPX-UHFFFAOYSA-N",384965,NA,"PDBC41695","675795","Present",NA,NA
+"41696","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-7-(diethylamino)-2-oxo-2H-chromene-3-carboxamide",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5","YBOKTWPVPPMHFT-UHFFFAOYSA-N",384968,NA,"PDBC41696","675798","Present",NA,NA
+"41697","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-7-hydroxy-2-oxo-2H-chromene-3-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=C(C=C(C=C6)O)OC5=O","WWGRENIEFJNRSX-UHFFFAOYSA-N",5466102,NA,"PDBC41697","675799","Present",NA,NA
+"41698","N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-8-allyl-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(1-Adamantyl)-1,3-thiazol-2-yl)-8-allyl-2-oxo-2H-chromene-3-carboxamide",NA,"C=CCC1=CC=CC2=C1OC(=O)C(=C2)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5","DGOJDXCXQFCQTB-UHFFFAOYSA-N",384971,NA,"PDBC41698","675801","Present",NA,NA
+"41699","N-(4-(1-Aziridinyl)butyl)-1,3-propanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Aziridinylbutyl)-1,3-diaminopropane",NA,"C1CN1CCCCNCCCN","JVMUEYFSUCQOKO-UHFFFAOYSA-N",160395,NA,"PDBC41699","658397","Present",NA,NA
+"41700","N-(4-(2-(1-Methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)hydrazino)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(2-(1-Methyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)hydrazino)phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)NNC2=CC(=O)N(C(=O)N2)C","MIADRJYTWABRAR-UHFFFAOYSA-N",385867,NA,"PDBC41700","677266","Present",NA,NA
+"41701","N-(4-(2-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydrazono-1-hydroxyethyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(2-(6-Chloro-3-hydroxy-2-quinoxalinyl)-2-hydrazono-1-hydroxyethyl)phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C(C(=NN)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O","WRGNQKACZMRGKU-BUVRLJJBSA-N",135499268,NA,"PDBC41701","647590","Present",NA,NA
+"41702","N-(4-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-methyl-4,5-dihydro-1H-imidazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(2-Hydroxy-5-(hydroxy(oxido)amino)benzylidene)-1-methyl-4,5-dihydro-1H-imidazol-2-yl)acetamide",NA,"CC(=O)NC1=NC(=CC2=C(C=CC(=C2)[N+](=O)[O-])O)CN1C","OVTDIDJXXXQFFO-BJMVGYQFSA-N",5467667,NA,"PDBC41702","657708","Present",NA,NA
+"41703","N-(4-(3,5-Diethyl-4-((4-(4-methyl-2-(3-pyridinyl)-1,3-thiazol-5-yl)-2,4-dioxobutanoyl)amino)benzyl)-2,6-diethylphenyl)-4-(4-methyl-2-(3-pyridinyl)-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[3,5-Diethyl-4-[[4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,4-dioxobutanoyl]amino]phenyl]methyl]-2,6-diethylphenyl]-4-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,"CCC1=CC(=CC(=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)C3=CN=CC=C3)C)CC)CC4=CC(=C(C(=C4)CC)NC(=O)C(=O)CC(=O)C5=C(N=C(S5)C6=CN=CC=C6)C)CC","QIFYVENDKZLPGG-UHFFFAOYSA-N",373335,NA,"PDBC41703","649551","Present",NA,NA
+"41704","N-(4-(3-(2-(2-Acetylhydrazino)-4-methyl-1,3-thiazol-5-yl)-3-(((4-methylphenyl)sulfonyl)hydrazono)-1-propenyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(E,3E)-3-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-[(4-methylphenyl)sulfonylhydrazinylidene]prop-1-enyl]phenyl]acetamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C=CC2=CC=C(C=C2)NC(=O)C)C3=C(N=C(S3)NNC(=O)C)C","WDDXBLOZHHJPEP-IWOQJKGHSA-N",135499280,NA,"PDBC41704","647611","Present",NA,NA
+"41705","N-(4-(3-(2-(3,5-Diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(E)-3-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]acetamide",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC=C(C=C5)NC(=O)C","PMOJGJXLABQDBL-OBGWFSINSA-N",6181395,NA,"PDBC41705","640589","Present",NA,NA
+"41706","N-(4-(3-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(3-(2-(Aminocarbothioyl)-4-methyl-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acetamide",NA,"CC1=C(SC(=N1)C(=S)N)C(=O)C=CC2=CC=C(C=C2)NC(=O)C","HXYCAOMIAVRGGO-VMPITWQZSA-N",6067898,NA,"PDBC41706","640576","Present",NA,NA
+"41707","N-(4-(3-(4-Chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-pyrazol-1-yl)phenyl)-3,5-bis(trifluoromethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(3-(4-chloro-3-hydroxyphenyl)-4-(pyridin-4-yl)-1H-p...",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","JQFVQKILHHEDQD-UHFFFAOYSA-N",56935458,NA,"PDBC41707","753184","Present",NA,NA
+"41708","N-(4-(3-(4-Methyl-2-(3-pyridinyl)-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(3-(4-Methyl-2-(3-pyridinyl)-1,3-thiazol-5-yl)-3-oxo-1-propenyl)phenyl)acetamide",NA,"CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)NC(=O)C","VPCKWAHTVFAAAT-JXMROGBWSA-N",5864461,NA,"PDBC41708","640577","Present",NA,NA
+"41709","N-(4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(3H-[1,3]Thiazolo[3,4-a]benzimidazol-1-yl)phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2N3C(=NC4=CC=CC=C43)CS2","FLRZDVVHCZSOHW-UHFFFAOYSA-N",384819,NA,"PDBC41709","675271","Present",NA,NA
+"41710","N-(4-(4-(4-(Hydroxy(oxido)amino)phenyl)-1-oxido-2,3-dihydro-1,5-benzothiazepin-2-yl)phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(4-(4-(Hydroxy(oxido)amino)phenyl)-1-oxido-2,3-dihydro-1,5-benzothiazepin-2-yl)phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2=O)C4=CC=C(C=C4)[N+](=O)[O-]","HTXFPYPUHGNXTR-UHFFFAOYSA-N",364774,NA,"PDBC41710","631533","Present",NA,NA
+"41711","N-(4-(4-(Bis(3-iminopropyl)amino)benzylidene)-2-phenyl-4,5-dihydro-1H-imidazol-1-yl)-4-chlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5E)-5-[[4-[Bis(3-iminopropyl)amino]phenyl]methylidene]-2-phenyl-4H-imidazol-3-yl]-4-chlorobenzamide",NA,"C1C(=CC2=CC=C(C=C2)N(CCC=N)CCC=N)N=C(N1NC(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","QIMMSMKMTBYYAQ-GZMHVXFLSA-N",5466813,NA,"PDBC41711","643598","Present",NA,NA
+"41712","N-(4-(4-Chlorophenyl)-1,3-thiazol-2-yl)-2-(4-morpholinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Morpholineacetamide, N-[4-(4-chlorophenyl)-2-thiazolyl]-",NA,"C1COCCN1CC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl","QGZPYMJDEGDPNO-UHFFFAOYSA-N",334459,NA,"PDBC41712","339675","Present",NA,NA
+"41713","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(4-Chlorophenyl)-3,5-dicyano-2-(4-methylphenyl)-6-oxopyridin-1-yl]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=C(C=C3)C)C#N)C4=CC=C(C=C4)Cl)C#N","YARGVVYPYPHQLV-UHFFFAOYSA-N",390296,NA,"PDBC41713","687588","Present",NA,NA
+"41714","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C#N","YIDCWFZNWLFIML-UHFFFAOYSA-N",390287,NA,"PDBC41714","687579","Present",NA,NA
+"41715","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-hydroxy-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-hydroxy-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)O","FNXXYNFLDWNTAV-UHFFFAOYSA-N",390290,NA,"PDBC41715","687582","Present",NA,NA
+"41716","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)S","WFLNPUQNEBBGRN-UHFFFAOYSA-N",390265,NA,"PDBC41716","687557","Present",NA,NA
+"41717","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-mercapto-6-oxo-1(6H)-pyridinyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)S","TXLWGCKNUAZOLH-UHFFFAOYSA-N",390264,NA,"PDBC41717","687556","Present",NA,NA
+"41718","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-oxo-6-phenyl-1(2H)-pyridinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-oxo-6-phenyl-1(2H)-pyridinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)C4=CC=CC=C4","LXTSEGOGQCXIED-UHFFFAOYSA-N",390276,NA,"PDBC41718","687568","Present",NA,NA
+"41719","N-(4-(4-Chlorophenyl)-3,5-dicyano-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(4-Chlorophenyl)-3,5-dicyano-2-oxo-6-phenyl-1(2H)-pyridinyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)C2=C(C(=C(C(=O)N2NS(=O)(=O)C3=CC=CC=C3)C#N)C4=CC=C(C=C4)Cl)C#N","YHJBZVKHAICGBQ-UHFFFAOYSA-N",390275,NA,"PDBC41719","687567","Present",NA,NA
+"41720","N-(4-(4-Ethyl-1-piperazinyl)phenyl)-2-methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(4-Ethyl-1-piperazinyl)phenyl)-2-methyl-2H-[1,2,3]triazolo[4,5-f]quinolin-9-amine",NA,"CCN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=NC=C3)C=CC5=NN(N=C54)C","LJZKRWIGXALBSZ-UHFFFAOYSA-N",371633,NA,"PDBC41720","646034","Present",NA,NA
+"41721","N-(4-(5-Bromo-2-pyrimidinyloxy)-3-chlorophenyl)-N'-(2-nitrobenzoyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-[[[4-[(5-bromo-2-pyrimidinyl)oxy]-3- chloro...",NA,"C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)[N+](=O)[O-]","WKXWMGOTZJGIIK-UHFFFAOYSA-N",128803,NA,"PDBC41721","624548","Present",NA,NA
+"41722","N-(4-(6-Bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)hexopyranosylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665510///NSC665512",NA,"CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)NC4C(C(C(C(O4)CO)O)O)O","SGIQWIIDVMJDOA-UHFFFAOYSA-N",380112,NA,"PDBC41722","665510///665512","Present",NA,NA
+"41723","N-(4-(6-Bromo-2-methyl-4-oxo-3(4H)-quinazolinyl)phenyl)pentopyranosylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665514///NSC665516",NA,"CC1=NC2=C(C=C(C=C2)Br)C(=O)N1C3=CC=C(C=C3)NC4C(C(C(CO4)O)O)O","CXFDFSHVNKWFIH-UHFFFAOYSA-N",380114,NA,"PDBC41723","665514///665516","Present",NA,NA
+"41724","N-(4-(6-Methyl-3-pyridinyl)phenyl)-9-acridinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(6-Methyl-3-pyridinyl)phenyl)-9-acridinamine",NA,"CC1=NC=C(C=C1)C2=CC=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53","UCBSTJJOUMTSJA-UHFFFAOYSA-N",353840,NA,"PDBC41724","603098","Present",NA,NA
+"41725","N-(4-(Acetylamino)butyl)-N-(3-(acetylamino)propyl)-2-(((5-(dimethylamino)-1-naphthyl)sulfonyl)amino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Acetamidobutyl)-N-(3-acetamidopropyl)-2-[[5-(dimethylamino)-1-naphthyl]sulfonylamino]acetamide",NA,"CC(=O)NCCCCN(CCCNC(=O)C)C(=O)CNS(=O)(=O)C1=CC=CC2=C1C=CC=C2N(C)C","RRGOVGGLPPWOIR-UHFFFAOYSA-N",391137,NA,"PDBC41725","689863","Present",NA,NA
+"41726","N-(4-(Allyl(methylsulfonyl)amino)-5-(hydroxy(oxido)amino)-2-methoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(Allyl(methylsulfonyl)amino)-5-(hydroxy(oxido)amino)-2-methoxyphenyl)acetamide",NA,"CC(=O)NC1=CC(=C(C=C1OC)N(CC=C)S(=O)(=O)C)[N+](=O)[O-]","MNYBMKNJTAWIOC-UHFFFAOYSA-N",393315,NA,"PDBC41726","694980","Present",NA,NA
+"41727","N-(4-(Aminosulfonyl)phenyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(Aminosulfonyl)phenyl)-4-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N","HYUVOKSCGZDKAV-UHFFFAOYSA-N",370667,NA,"PDBC41727","644043","Present",NA,NA
+"41728","N-(4-(Aminosulfonyl)phenyl)-9-(2-(4-(((4,6-dimethyl-2-pyrimidinyl)amino)sulfonyl)phenyl)hydrazino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[2-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]hydrazinyl]-N-(4-sulfamoylphenyl)acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NNC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N)C","KEBNCKUSOZYVCY-UHFFFAOYSA-N",385781,NA,"PDBC41728","677175","Present",NA,NA
+"41729","N-(4-(Aminosulfonyl)phenyl)-9-(2-(4-(aminosulfonyl)phenyl)hydrazino)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(Aminosulfonyl)phenyl)-9-(2-(4-(aminosulfonyl)phenyl)hydrazino)-4-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N)NNC5=CC=C(C=C5)S(=O)(=O)N","QQSKZGNXDLBLBX-UHFFFAOYSA-N",385780,NA,"PDBC41729","677174","Present",NA,NA
+"41730","N-(4-(Aminosulfonyl)phenyl)-9-(4-(((5-methyl-3-isoxazolyl)amino)sulfonyl)anilino)-2-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-[4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]-N-(4-sulfamoylphenyl)acridine-2-carboxamide",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N","MJICNSBAFUOGBG-UHFFFAOYSA-N",385754,NA,"PDBC41730","677148","Present",NA,NA
+"41731","N-(4-(Cyclohexylmethyl)cyclohexyl)-4,5-dihydro-1,3-oxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(Cyclohexylmethyl)cyclohexyl)-4,5-dihydro-1,3-oxazol-2-amine",NA,"C1CCC(CC1)CC2CCC(CC2)NC3=NCCO3","OIOMLUHKIJXKNB-UHFFFAOYSA-N",379668,NA,"PDBC41731","664546","Present",NA,NA
+"41732","N-(4-(Diethylamino)-1-methylbutyl)-9,10-dihydro-9,10-dioxo-2-anthracenecarboxamide monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Anthracenecarboxamide, N-[4-(diethylamino)-1-methylbut...",NA,"CCN(CC)CCCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O.Cl","YUZNGCKGMHDGCG-UHFFFAOYSA-N",149896,NA,"PDBC41732","331757","Present",NA,NA
+"41733","N-(4-(Dihydroxy(oxido)stibino)phenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Compound 15596",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[Sb](=O)(O)O","HCDUYTYPYMVCOP-UHFFFAOYSA-L",225805,NA,"PDBC41733","15596","Present",NA,NA
+"41734","N-(4-(Dimethylamino)-5-(((dimethylamino)carbothioyl)imino)-1,2,4-dithiazolidin-3-ylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3Z)-3-[(5Z)-5-(Benzenesulfonylimino)-4-(dimethylamino)-1,2,4-dithiazolidin-3-ylidene]-1,1-dimethylthiourea",NA,"CN(C)C(=S)N=C1N(C(=NS(=O)(=O)C2=CC=CC=C2)SS1)N(C)C","IXTLPIZOWXPZND-DZDAAMPGSA-N",9569870,NA,"PDBC41734","622606","Present",NA,NA
+"41735","N-(4-Acetamidophenyl)-2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Acetamidophenyl)-2-(1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorobenzamide",NA,"CC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)C3=NC4=CC=CC=C4N3","YBJHSBXROALASZ-UHFFFAOYSA-N",402419,NA,"PDBC41735","716350","Present",NA,NA
+"41736","N-(4-Acetylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-phenyl-5-hexenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Acetylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-phenyl-5-hexenamide",NA,"CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C=CC4=CC=CC=C4","QCORVSOHHMRPAJ-LFIBNONCSA-N",5781682,NA,"PDBC41736","644752","Present",NA,NA
+"41737","N-(4-Acetylphenyl)-2-((5-methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Acetylphenyl)-2-[(5-methyl-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide",NA,"CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)C(=O)C)SC(=S)N2C4=CC=CC=C4","USPZUWKJEBBIEV-UHFFFAOYSA-N",378703,NA,"PDBC41737","661808","Present",NA,NA
+"41738","N-(4-Acetylphenyl)-2-((aminocarbonyl)hydrazono)-3-cyano-5,5-dimethyl-6-oxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Acetylphenyl)-2-((aminocarbonyl)hydrazono)-3-cyano-5,5-dimethyl-6-oxohexanamide",NA,"CC(=O)C1=CC=C(C=C1)NC(=O)C(=NNC(=O)N)C(CC(C)(C)C=O)C#N","JXQAYEPFUXEYML-JCMHNJIXSA-N",5933350,NA,"PDBC41738","641004","Present",NA,NA
+"41739","N-(4-Acetylphenyl)-3-cyano-5,5-dimethyl-2,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Acetylphenyl)-3-cyano-5,5-dimethyl-2,6-dioxohexanamide",NA,"CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C(CC(C)(C)C=O)C#N","QNEAMJKVEWSQEJ-UHFFFAOYSA-N",369557,NA,"PDBC41739","641421","Present",NA,NA
+"41740","N-(4-Acetylphenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-acetylphenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-met...",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)CC(=O)C(=O)NC5=CC=C(C=C5)C(=O)C","NJZIHRRKPQGQLA-UHFFFAOYSA-N",370969,NA,"PDBC41740","644774","Present",NA,NA
+"41741","N-(4-Acetylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Acetylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC(=C(C=C4)Cl)Cl","FHVIPLRTYBLADV-UHFFFAOYSA-N",370984,NA,"PDBC41741","644790","Present",NA,NA
+"41742","N-(4-Acetylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Acetylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,"CC(=O)C1=CC=C(C=C1)NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S","SADAHALTPHCMFL-UHFFFAOYSA-N",3000678,NA,"PDBC41742","642047","Present",NA,NA
+"41743","N-(4-Amino-2-chlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Amino-2-chlorophenyl)-N-(phenylsulfonyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)N(C2=C(C=C(C=C2)N)Cl)S(=O)(=O)C3=CC=CC=C3","FAYLEAJHBNHJLN-UHFFFAOYSA-N",261838,NA,"PDBC41743","94810","Present",NA,NA
+"41744","N-(4-Amino-2-methoxy-1-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)pentopyranosylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655154///NSC655155",NA,"CN1C(=O)C(=C(N=C1OC)N)NC2C(C(C(CO2)O)O)O","PGVODIOYTVZUKM-UHFFFAOYSA-N",375432,NA,"PDBC41744","655154///655155","Present",NA,NA
+"41745","N-(4-Amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)acetamide",NA,"CC(=O)NC1=C(N=C(N(C1=O)C)OC)N","NHONTPHYBFKACM-UHFFFAOYSA-N",360601,NA,"PDBC41745","622776","Present",NA,NA
+"41746","N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminoethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[N-(4-Amino-4-deoxy-N10-methylpteroyl)amino]ethanesulf...",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCS(=O)(=O)O","HFSREEVSCDYOCF-UHFFFAOYSA-N",393793,NA,"PDBC41746","696561","Present",NA,NA
+"41747","N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminomethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Amino-4-deoxy-N10-methylpteroyl)aminomethanesulfoni...",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCS(=O)(=O)O","HCZDNAFRBKRHGB-UHFFFAOYSA-N",393795,NA,"PDBC41747","696563","Present",NA,NA
+"41748","N-(4-Amino-4-deoxy-N-methylpteroyl)-4-aminopropanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[N-(4-Amino-4-deoxy-N10-methylpteroyl)amino]propane-su...",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NCCCS(=O)(=O)O","ZWNOUWBCPHEYMA-UHFFFAOYSA-N",393794,NA,"PDBC41748","696562","Present",NA,NA
+"41749","N-(4-Amino-4-deoxy-N10-methypteroyl)-D,L-2-amino-4-phosphono-butanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Amino-4-deoxy-N10-methypteroyl)-D,L-2-amino-4-phosp...",NA,"CN(CC1=CN=C2C(=N1)C(=NN(N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCP(=O)(O)O)C(=O)O","TWVXIMJTYAKSDP-UHFFFAOYSA-N",135489907,NA,"PDBC41749","696560","Present",NA,NA
+"41750","N-(4-Amino-4-deoxy-N10-methypteroyl)-L-homocysteic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Amino-4-deoxy-N10-methypteroyl)-L-homocysteic acid",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCS(=O)(=O)O)C(=O)O","AZBMALLCUFVCHQ-ZDUSSCGKSA-N",6712549,NA,"PDBC41750","696559","Present",NA,NA
+"41751","N-(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-1,3-dihydro-2H-isoindol-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Amino-5-cyano-1,3-dioxo-6,7-diphenyl-1,3-dihydro-2H-isoindol-2-yl)benzamide",NA,"C1=CC=C(C=C1)C2=C(C(=C3C(=C2C4=CC=CC=C4)C(=O)N(C3=O)NC(=O)C5=CC=CC=C5)N)C#N","TYWHVBLERGQASI-UHFFFAOYSA-N",393972,NA,"PDBC41751","697044","Present",NA,NA
+"41752","N-(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Amino-5-cyano-6,7-dimethyl-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzamide",NA,"CC1=C(C2=C(C(=C1C#N)N)C(=O)N(C2=O)NC(=O)C3=CC=CC=C3)C","NMTMSJYRUVMMEZ-UHFFFAOYSA-N",393969,NA,"PDBC41752","697041","Present",NA,NA
+"41753","N-(4-Aminobutyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Aminobutyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride",NA,"CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCN)OCCCN)C.Cl","ZSLMGTJFODQNKQ-UHFFFAOYSA-N",396612,NA,"PDBC41753","703116","Present",NA,NA
+"41754","N-(4-Aminobutyl)-N-(3-aminopropyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Aminobutyl)-N-(3-aminopropyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)N(CCCCN)CCCN","GCIAPIXVBLMJKR-UHFFFAOYSA-N",389625,NA,"PDBC41754","685971","Present",NA,NA
+"41755","N-(4-Aminobutyldiazenyl)-4-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Aminobutyldiazenyl)-4-methylaniline",NA,"CC1=CC=C(C=C1)NN=NCCCCN","YIOSPWSCVFIQNX-UHFFFAOYSA-N",388133,NA,"PDBC41755","682623","Present",NA,NA
+"41756","N-(4-Aminocyclohexyl)-N'-[6-(2-hydroxyphenyl)-3-pyridinylmethyl]-9-cyclopentyl-9H-purine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-[[[2-[(trans-4-aminocyclohexyl)amino]-9-cyclopentyl...",NA,"C1CCC(C1)N2C=NC3=C(N=C(N=C32)NC4CCC(CC4)N)NCC5=CN=C(C=C5)C6=CC=CC=C6O","UVKLAINVJNUJNX-UHFFFAOYSA-N",136219283,NA,"PDBC41756","787977","Present",NA,NA
+"41757","N-(4-Aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Aminophenyl)-4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]benzamide",NA,"C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N","KCWZDFHMODGEBY-UHFFFAOYSA-N",24205282,NA,"PDBC41757","734945","Present",NA,NA
+"41758","N-(4-Benzylphenyl)-3-(dimethylaminodiazenyl)indazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-benzylphenyl)-3-(3,3-dimethyltriaz-1-en-1-yl)-1H-in...",NA,"CN(C)N=NC1=NN(C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)CC4=CC=CC=C4","CMFKSYYWGQSJRM-UHFFFAOYSA-N",155815970,NA,"PDBC41758","765771","Present",NA,NA
+"41759","N-(4-Bromo-1-naphthyl)-1-hydroxy-2-naphthamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromonaphthalen-1-yl)-1-hydroxy-2-naphthamide",NA,"C1=CC=C2C(=C1)C=CC(=C2O)C(=O)NC3=CC=C(C4=CC=CC=C43)Br","FXYXGRSAQZGIOS-UHFFFAOYSA-N",353380,NA,"PDBC41759","601359","Present",NA,NA
+"41760","N-(4-Bromo-2,6-dimethylphenyl)-2-(5-((1,3-dioxo-2,3-dihydro-1H-inden-2-yl)methyl)-2,2-dimethyl-4,6-dioxocyclohexyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromo-2,6-dimethylphenyl)-2-[5-[(1,3-dioxoinden-2-yl)methyl]-2,2-dimethyl-4,6-dioxocyclohexyl]-2-oxoacetamide",NA,"CC1=CC(=CC(=C1NC(=O)C(=O)C2C(=O)C(C(=O)CC2(C)C)CC3C(=O)C4=CC=CC=C4C3=O)C)Br","NRIWQIYYJNOLDK-UHFFFAOYSA-N",373469,NA,"PDBC41760","649825","Present",NA,NA
+"41761","N-(4-Bromo-2,6-dimethylphenyl)-4-(2-(3,5-diphenyl-1H-pyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromo-2,6-dimethylphenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2,4-dioxobutanamide",NA,"CC1=CC(=CC(=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C)C)Br","XTAHLTAHHMODKR-UHFFFAOYSA-N",371554,NA,"PDBC41761","645883","Present",NA,NA
+"41762","N-(4-Bromo-2,6-dimethylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromo-2,6-dimethylphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"CC1=CC(=CC(=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4)C)Br","NLRGCVWODUBTCB-UHFFFAOYSA-N",369479,NA,"PDBC41762","641249","Present",NA,NA
+"41763","N-(4-Bromo-2,6-dimethylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromo-2,6-dimethylphenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"CC1=CC(=CC(=C1NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC(=C(C=C4)Cl)Cl)C)Br","RFGSNUYKKRTFBK-UHFFFAOYSA-N",370967,NA,"PDBC41763","644772","Present",NA,NA
+"41764","N-(4-Bromo-2,6-dimethylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromo-2,6-dimethylphenyl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,"CC1=CC(=CC(=C1NC(=O)C(=O)NN2C(=O)C3=CC=CC=C3NC2=S)C)Br","KDNRQLDQMJGKPE-UHFFFAOYSA-N",3000687,NA,"PDBC41764","648600","Present",NA,NA
+"41765","N-(4-Bromophenyl)-2-({[N-(4-bromophenyl)carbamoyl]methyl}disulfanyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromophenyl)-2-({[N-(4-bromophenyl)carbamoyl]methyl}disulfanyl)acetamide",NA,"C1=CC(=CC=C1NC(=O)CSSCC(=O)NC2=CC=C(C=C2)Br)Br","VJGBPTWSPRDFRI-UHFFFAOYSA-N",361218,NA,"PDBC41765","624178","Present",NA,NA
+"41766","N-(4-Bromophenyl)-2-iodoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: I1VMR DE",NA,"C1=CC(=CC=C1NC(=O)CI)Br","KZEZEXWEHMUXPI-UHFFFAOYSA-N",28665,NA,"PDBC41766","151224","Present",NA,NA
+"41767","N-(4-Bromophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromophenyl)-2-oxo-2-(2,4,6-trioxohexahydro-5-pyrimidinyl)acetamide",NA,"C1=CC(=CC=C1NC(=O)C(=O)C2C(=O)NC(=O)NC2=O)Br","LDGJXINPDDYTPM-UHFFFAOYSA-N",369876,NA,"PDBC41767","642069","Present",NA,NA
+"41768","N-(4-Bromophenyl)-3,4-dichlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromophenyl)-3,4-dichlorobenzamide",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)Cl)Br","PLQRPDVJMCICKR-UHFFFAOYSA-N",221819,NA,"PDBC41768","6891","Present",NA,NA
+"41769","N-(4-Bromophenyl)-3-({[(4-bromophenyl)amino]carbonyl}amino)-1H-indazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-bromophenyl)-3-({[(4-bromophenyl)amino]carbonyl}ami...",NA,"C1=CC=C2C(=C1)C(=NN2C(=O)NC3=CC=C(C=C3)Br)NC(=O)NC4=CC=C(C=C4)Br","OSXRBDRHEJEFAA-UHFFFAOYSA-N",25197921,NA,"PDBC41769","742795","Present",NA,NA
+"41770","N-(4-Bromophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromophenyl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=CC=C3F)C(=O)C(=O)NC4=CC=C(C=C4)Br","IAHYJQCQOYXFCP-UHFFFAOYSA-N",369457,NA,"PDBC41770","641227","Present",NA,NA
+"41771","N-(4-Bromophenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromophenyl)-4-(3,4-dichlorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C(=O)NC4=CC=C(C=C4)Br","OTEONVZCZCUUDG-UHFFFAOYSA-N",371552,NA,"PDBC41771","645881","Present",NA,NA
+"41772","N-(4-Bromophenyl)-5-methyl-N'-(4H-1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromophenyl)-5-methyl-N'-(4H-1,2,4-triazol-4-yl)-1,2,4-oxadiazole-3-carboximidamide",NA,"CC1=NC(=NO1)C(=NC2=CC=C(C=C2)Br)NN3C=NN=C3","CIXWKCHWZJWWEB-UHFFFAOYSA-N",394936,NA,"PDBC41772","699036","Present",NA,NA
+"41773","N-(4-Bromophenyl)-7-hydroxy-2-oxo-4-phenyl-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Bromophenyl)-7-hydroxy-2-oxo-4-phenyl-2H-chromene-3-carboxamide",NA,"C1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)O)C(=O)NC4=CC=C(C=C4)Br","KIZWXLXXALRDDF-UHFFFAOYSA-N",5465801,NA,"PDBC41773","662453","Present",NA,NA
+"41774","N-(4-Butylphenyl)-4-chloro-7-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Butylphenyl)-4-chloro-7-[4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-2-amine",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C=CN3C4CC(C(O4)COC5=CC=C(C=C5)C)OC6=CC=C(C=C6)C)C(=N2)Cl","UDWRBGVUXXLRRZ-UHFFFAOYSA-N",387250,NA,"PDBC41774","680826","Present",NA,NA
+"41775","N-(4-Chloro-2-(trifluoromethyl)phenyl)-2-(1,1-dioxidotetrahydro-2-thienyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-(trifluoromethyl)phenyl)-2-(1,1-dioxidotetrahydro-2-thienyl)-2-oxoacetamide",NA,"C1CC(S(=O)(=O)C1)C(=O)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F","SCNKRRYBFZWKTM-UHFFFAOYSA-N",371561,NA,"PDBC41775","645890","Present",NA,NA
+"41776","N-(4-Chloro-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-methylphenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-phenylbutanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC=CC=C4","JPPDCOCQPIBKKH-UHFFFAOYSA-N",370943,NA,"PDBC41776","644748","Present",NA,NA
+"41777","N-(4-Chloro-2-methylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-methylphenyl)-2-(2-imino-4-oxo-1,3-thiazolidin-5-yl)acetamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CC2C(=O)N=C(S2)N","VXAIZBPASDEUOZ-UHFFFAOYSA-N",364800,NA,"PDBC41777","631559","Present",NA,NA
+"41778","N-(4-Chloro-2-methylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-methylphenyl)-2-(4-oxo-2-(3-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,"CC1=CC(=CC=C1)N=C2NC(=O)C(S2)CC(=O)NC3=C(C=C(C=C3)Cl)C","PEQYMJRUUIXUPT-UHFFFAOYSA-N",135426506,NA,"PDBC41778","631566","Present",NA,NA
+"41779","N-(4-Chloro-2-methylphenyl)-2-(hydroxyimino)-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-4-oxo-6-phenylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(4-Chloro-2-methylphenyl)-2-hydroxyimino-6-(4-hydroxy-2-oxochromen-3-yl)-4-oxo-6-phenylhexanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=NO)CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","UPXPIERXACQVAL-SXBRIOAWSA-N",54712268,NA,"PDBC41779","649818","Present",NA,NA
+"41780","N-(4-Chloro-2-methylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-methylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-oxopropanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC2=C(C(=O)C=CO2)O","NXWBOTLYGWUPOZ-UHFFFAOYSA-N",370961,NA,"PDBC41780","644766","Present",NA,NA
+"41781","N-(4-Chloro-2-methylphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-methylphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","JCMZHKDSHQCMEQ-UHFFFAOYSA-N",369468,NA,"PDBC41781","641238","Present",NA,NA
+"41782","N-(4-Chloro-2-methylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-methylphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","JOQXBAGORFHTRA-UHFFFAOYSA-N",366528,NA,"PDBC41782","635137","Present",NA,NA
+"41783","N-(4-Chloro-2-methylphenyl)-5,7-dioxo-6,7-diphenylheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-methylphenyl)-5,7-dioxo-6,7-diphenylheptanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)C(C2=CC=CC=C2)C(=O)C3=CC=CC=C3","PCDDRIDZZLFNGM-UHFFFAOYSA-N",360363,NA,"PDBC41783","622421","Present",NA,NA
+"41784","N-(4-Chloro-2-methylphenyl)-5,7-dioxooctanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-methylphenyl)-5,7-dioxooctanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)CC(=O)C","MXTNZRXDJLESHC-UHFFFAOYSA-N",360437,NA,"PDBC41784","622573","Present",NA,NA
+"41785","N-(4-Chloro-2-methylphenyl)-5-(2-((cyanoacetyl)hydrazono)cyclopentyl)-5-oxopentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-methylphenyl)-5-(2-((cyanoacetyl)hydrazono)cyclopentyl)-5-oxopentanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)C2CCCC2=NNC(=O)CC#N","ZEPGRVWENMDWMZ-JJIBRWJFSA-N",6110526,NA,"PDBC41785","630326","Present",NA,NA
+"41786","N-(4-Chloro-2-methylphenyl)-5-oxo-5-(2-oxocyclopentyl)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-2-methylphenyl)-5-oxo-5-(2-oxocyclopentyl)pentanamide",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)C2CCCC2=O","YKLYBPLZJGHCBA-UHFFFAOYSA-N",360438,NA,"PDBC41786","622574","Present",NA,NA
+"41787","N-(4-Chloro-3-fluorophenyl)-5-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-chloro-3-fluorophenyl)-5-(3-(4-methylpiperazin-1-yl...",NA,"CN1CCN(CC1)CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=C(C=C4)Cl)F","JCKQQBQPFCXZCA-UHFFFAOYSA-N",155813611,NA,"PDBC41787","781643","Present",NA,NA
+"41788","N-(4-Chloro-3-iodophenyl)-2-(hydroxyimino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-3-iodophenyl)-2-(hydroxyimino)acetamide",NA,"C1=CC(=C(C=C1NC(=O)C=NO)I)Cl","PWQNPEVJGCXARI-NYYWCZLTSA-N",9571384,NA,"PDBC41788","651038","Present",NA,NA
+"41789","N-(4-Chloro-3-nitrophenyl)sydnone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-3-nitrophenyl)sydnone",NA,"C1=CC(=C(C=C1[N+]2=NOC(=C2)[O-])[N+](=O)[O-])Cl","NJSTWYWKRNSLNW-UHFFFAOYSA-N",405169,NA,"PDBC41789","722212","Present",NA,NA
+"41790","N-(4-Chloro-6-methyl-2-pyrimidinyl)-2-((4-chlorophenyl)thio)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-6-methyl-2-pyrimidinyl)-2-((4-chlorophenyl)thio)acetamide",NA,"CC1=CC(=NC(=N1)NC(=O)CSC2=CC=C(C=C2)Cl)Cl","GSVYMELKQFOOJH-UHFFFAOYSA-N",224680,NA,"PDBC41790","13364","Present",NA,NA
+"41791","N-(4-Chloro-6-morpholino-1,3,5-triazine-2-yl)-1-benzyl-2-methyl-1H-benzoimidazole-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-Benzyl-2-methyl-3H-benzoimidazol-5-yl)-(4-chloro-6-mo...",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=C(C=C2)NC4=NC(=NC(=N4)Cl)N5CCOCC5","XHVJOIPGKNTPSF-UHFFFAOYSA-N",122219959,NA,"PDBC41791","776053","Present",NA,NA
+"41792","N-(4-Chloro-6-phenyl-2-pyrimidinyl)-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chloro-6-phenyl-2-pyrimidinyl)-1H-benzimidazol-2-amine",NA,"C1=CC=C(C=C1)C2=CC(=NC(=N2)NC3=NC4=CC=CC=C4N3)Cl","RTJYWYDYNMKREW-UHFFFAOYSA-N",387155,NA,"PDBC41792","680669","Present",NA,NA
+"41793","N-(4-Chlorobenzoyl)-N'-(5-(3-(3,4-dimethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorobenzoyl)-N'-(5-(3-(3,4-dimethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)thiourea",NA,"CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=C(C=C2)Cl)C(=O)C=CC3=CC(=C(C=C3)OC)OC","SFPOTONYXXZIID-ONNFQVAWSA-N",5889517,NA,"PDBC41793","640545","Present",NA,NA
+"41794","N-(4-Chlorobenzoyl)-N,4-diphenylpiperidine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-26201",NA,"C1CN(CCC1C2=CC=CC=C2)C(=O)N(C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","DGLIGBGGTOVBEV-UHFFFAOYSA-N",391220,NA,"PDBC41794","690117","Present",NA,NA
+"41795","N-(4-Chlorobenzyl)-4-methylthiazole-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorobenzyl)-4-methylthiazole-2-amine",NA,"CC1=CSC(=N1)NCC2=CC=C(C=C2)Cl","KSDRSWFFJHRIGG-UHFFFAOYSA-N",402136,NA,"PDBC41795","715993","Present",NA,NA
+"41796","N-(4-Chlorobenzyl)-N'-(2,5-dimethylphenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorobenzyl)-N'-(2,5-dimethylphenyl)urea",NA,"CC1=CC(=C(C=C1)C)NC(=O)NCC2=CC=C(C=C2)Cl","VNBHOFZERQXOFW-UHFFFAOYSA-N",307746,NA,"PDBC41796","205862","Present",NA,NA
+"41797","N-(4-Chlorophenyl)-1-methyl-1H-pyrazolo[3,4-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazolo[3,4-b]quinoline, 4-[(4-chlorophenyl)amino]-1...",NA,"CN1C2=NC3=CC=CC=C3C(=C2C=N1)NC4=CC=C(C=C4)Cl","XRAAYLBQQQPCRB-UHFFFAOYSA-N",364041,NA,"PDBC41797","629658","Present",NA,NA
+"41798","N-(4-Chlorophenyl)-2,4,6-trinitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A822488",NA,"C1=CC(=CC=C1NC2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])Cl","BVQWERYAWIDLFA-UHFFFAOYSA-N",291920,NA,"PDBC41798","157487","Present",NA,NA
+"41799","N-(4-Chlorophenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2,4-dioxo-4-(2-oxotetrahydro-3-furanyl)butanamide",NA,"C1COC(=O)C1C(=O)CC(=O)C(=O)NC2=CC=C(C=C2)Cl","PIJTVUBKZOHRTA-UHFFFAOYSA-N",361010,NA,"PDBC41799","623743","Present",NA,NA
+"41800","N-(4-Chlorophenyl)-2,4-dioxo-4-phenylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EU-0001781",NA,"C1=CC=C(C=C1)C(=O)CC(=O)C(=O)NC2=CC=C(C=C2)Cl","SKIOOBJLSYWHMF-UHFFFAOYSA-N",366969,NA,"PDBC41800","636131","Present",NA,NA
+"41801","N-(4-Chlorophenyl)-2-((5-methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-chlorophenyl)-2-(5-methyl-3-phenyl-2-thioxo-2,3-dih...",NA,"CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)Cl)SC(=S)N2C4=CC=CC=C4","WSLLSEAPOBQYDB-UHFFFAOYSA-N",378707,NA,"PDBC41801","661812","Present",NA,NA
+"41802","N-(4-Chlorophenyl)-2-((6-(2-(3-(hydroxy(oxido)amino)phenyl)vinyl)-2-mercapto-4-pyrimidinyl)carbonyl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-Chlorophenyl)-3-[[6-[(E)-2-(3-nitrophenyl)vinyl]-2-sulfanyl-pyrimidine-4-carbonyl]amino]urea",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=CC2=CC(=NC(=S)N2)C(=O)NNC(=O)NC3=CC=C(C=C3)Cl","ZXSOAHFHWNCIFL-QPJJXVBHSA-N",5388439,NA,"PDBC41802","636120","Present",NA,NA
+"41803","N-(4-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-(1,1-dioxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"C1=CC=C2C(=C1)NC(=O)C(S2(=O)=O)CC(=O)NC3=CC=C(C=C3)Cl","YNFSQLXDCFRFKJ-UHFFFAOYSA-N",366127,NA,"PDBC41803","634414","Present",NA,NA
+"41804","N-(4-Chlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"C1=CC=C2C(=C1)NC(=O)C(S2=O)CC(=O)NC3=CC=C(C=C3)Cl","ZOVZPMRJAQIQRK-UHFFFAOYSA-N",360690,NA,"PDBC41804","623026","Present",NA,NA
+"41805","N-(4-Chlorophenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-(3-imino-5-oxo-1-phenyl-4-pyrazolidinyl)-2-oxoacetamide",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=O)C(=O)NC3=CC=C(C=C3)Cl","IWEMEWAZLYOFKI-UHFFFAOYSA-N",365047,NA,"PDBC41805","632005","Present",NA,NA
+"41806","N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)oxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)oxyacetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2OCC(=O)NC4=CC=C(C=C4)Cl","AJLZTZOEOVLCPT-UHFFFAOYSA-N",24205107,NA,"PDBC41806","734279","Present",NA,NA
+"41807","N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Cl","QIFNACABZQROSX-UHFFFAOYSA-N",16079750,NA,"PDBC41807","734278","Present",NA,NA
+"41808","N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfinylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfinylacetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2S(=O)CC(=O)NC4=CC=C(C=C4)Cl","QLVNCXOREMRVNA-UHFFFAOYSA-N",24205108,NA,"PDBC41808","734280","Present",NA,NA
+"41809","N-(4-Chlorophenyl)-2-(4-hydroxy-2H-chromen-3-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-(4-hydroxy-2H-chromen-3-yl)-2-oxoacetamide",NA,"C1C(=C(C2=CC=CC=C2O1)O)C(=O)C(=O)NC3=CC=C(C=C3)Cl","JZFUURUIXQUXHN-UHFFFAOYSA-N",373363,NA,"PDBC41809","649578","Present",NA,NA
+"41810","N-(4-Chlorophenyl)-2-(cyanoamino)-6-phenyl-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-(cyanoamino)-6-phenyl-4-pyrimidinecarboxamide",NA,"C1=CC=C(C=C1)C2=CC(=NC(=N2)NC#N)C(=O)NC3=CC=C(C=C3)Cl","ZSCRUARLCIXSPL-UHFFFAOYSA-N",364956,NA,"PDBC41810","631842","Present",NA,NA
+"41811","N-(4-Chlorophenyl)-2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-cyano-3,3-bis(methylsulfanyl)prop-2-enamide",NA,"CSC(=C(C#N)C(=O)NC1=CC=C(C=C1)Cl)SC","AXYGHGGSYOXSPF-UHFFFAOYSA-N",392136,NA,"PDBC41811","692016","Present",NA,NA
+"41812","N-(4-Chlorophenyl)-2-formylhydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-144871",NA,"C1=CC(=CC=C1NC(=O)NNC=O)Cl","UIKAWTVORRTDHA-UHFFFAOYSA-N",379568,NA,"PDBC41812","664254","Present",NA,NA
+"41813","N-(4-Chlorophenyl)-2-hydroxy-9H-carbazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naphtol as-lb",NA,"C1=CC=C2C(=C1)C3=CC(=C(C=C3N2)O)C(=O)NC4=CC=C(C=C4)Cl","PPLNRTPNYCWODC-UHFFFAOYSA-N",67238,NA,"PDBC41813","50651","Present",NA,NA
+"41814","N-(4-Chlorophenyl)-2-imino-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-imino-4-(methylthio)-5-oxo-2,5-dihydro-1H-pyrrole-3-carboxamide",NA,"CSC1=C(C(=NC1=O)N)C(=O)NC2=CC=C(C=C2)Cl","IGDUIOSFUURGOV-UHFFFAOYSA-N",392149,NA,"PDBC41814","692029","Present",NA,NA
+"41815","N-(4-Chlorophenyl)-2-mercapto-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-2-mercapto-6-(3-methyl-4H-1,4-benzothiazin-2-yl)-4-pyrimidinecarboxamide",NA,"CC1=C(SC2=CC=CC=C2N1)C3=CC(=NC(=S)N3)C(=O)NC4=CC=C(C=C4)Cl","LHOOPAUQZLORDN-UHFFFAOYSA-N",3004119,NA,"PDBC41815","630291","Present",NA,NA
+"41816","N-(4-Chlorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(4-bromophenyl)-1H-...",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)NC3=CC=C(C=C3)Cl)C=CC4=CC(=C(C=C4)O)OC)O","FBTRJGSYHVLGFR-KGNILVOKSA-N",155808231,NA,"PDBC41816","757924","Present",NA,NA
+"41817","N-(4-Chlorophenyl)-3-(((2-methylphenyl)sulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-(((2-methylphenyl)sulfonyl)amino)-4-oxo-3,4-dihydro-6-quinazolinesulfonamide",NA,"CC1=CC=CC=C1S(=O)(=O)NN2C=NC3=C(C2=O)C=C(C=C3)S(=O)(=O)NC4=CC=C(C=C4)Cl","KWRKECDKWDELSB-UHFFFAOYSA-N",390422,NA,"PDBC41817","687776","Present",NA,NA
+"41818","N-(4-Chlorophenyl)-3-(3,5-dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-(3,5-dimethyl-4-((3-methylphenyl)diazenyl)-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"CC1=CC(=CC=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C","WETDNQDXTINCGC-UHFFFAOYSA-N",386805,NA,"PDBC41818","679513","Present",NA,NA
+"41819","N-(4-Chlorophenyl)-3-(3-((2-cyanoethyl)-2-methylanilino)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(p-Chloroanilinomalonyl)-3-(N-ortho-toluidino-N-.beta....",NA,"CC1=CC=CC=C1N(CCC#N)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)Cl","UMAQRZVAGNXXFQ-UHFFFAOYSA-N",365897,NA,"PDBC41819","633978","Present",NA,NA
+"41820","N-(4-Chlorophenyl)-3-(4-((2-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-(4-((2-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=CC=C5Cl","DCVHXMKMOTUFLH-UHFFFAOYSA-N",370463,NA,"PDBC41820","643594","Present",NA,NA
+"41821","N-(4-Chlorophenyl)-3-(4-((3,4-dimethylphenyl)diazenyl)-3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-[4-[(3,4-dimethylphenyl)diazenyl]-3,5-dimethylpyrazol-1-yl]-3-oxopropanamide",NA,"CC1=C(C=C(C=C1)N=NC2=C(N(N=C2C)C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C)C","JCJLRIFZRJZLCG-UHFFFAOYSA-N",386801,NA,"PDBC41821","679509","Present",NA,NA
+"41822","N-(4-Chlorophenyl)-3-(4-((4-(hydroxy(oxido)amino)phenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-[4-[(4-nitrophenyl)diazenyl]-3,5-diphenylpyrazol-1-yl]-3-oxopropanamide",NA,"C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=C(C=C5)[N+](=O)[O-]","PRUOUANBINANJR-UHFFFAOYSA-N",372606,NA,"PDBC41822","647967","Present",NA,NA
+"41823","N-(4-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-(4-((4-chlorophenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"C1=CC=C(C=C1)C2=C(C(=NN2C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4)N=NC5=CC=C(C=C5)Cl","CORRYZDDSQEIDL-UHFFFAOYSA-N",370461,NA,"PDBC41823","643592","Present",NA,NA
+"41824","N-(4-Chlorophenyl)-3-(4-((4-ethoxyphenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-[4-[(4-ethoxyphenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide",NA,"CCOC1=CC=C(C=C1)N=NC2C(=NN(C2=O)C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C","XKHPAGMURWOWGW-UHFFFAOYSA-N",386795,NA,"PDBC41824","679503","Present",NA,NA
+"41825","N-(4-Chlorophenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"CC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","INWATODZILKANX-UHFFFAOYSA-N",367845,NA,"PDBC41825","637920","Present",NA,NA
+"41826","N-(4-Chlorophenyl)-3-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide",NA,"CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]","VQKQXAHMOWZESR-UHFFFAOYSA-N",383164,NA,"PDBC41826","671277","Present",NA,NA
+"41827","N-(4-Chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthol AS-E phosphate",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=C(C=C3)Cl)OP(=O)(O)O","RQAQWBFHPMSXKR-UHFFFAOYSA-N",87517,NA,"PDBC41827","746568","Present",NA,NA
+"41828","N-(4-Chlorophenyl)-3-cyano-2-oxo-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-cyano-2-oxo-3-phenylpropanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=O)C(=O)NC2=CC=C(C=C2)Cl","FYHOXDPIXUCNSV-UHFFFAOYSA-N",360298,NA,"PDBC41828","622333","Present",NA,NA
+"41829","N-(4-Chlorophenyl)-3-hydrazinyl-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK498031",NA,"C1=CC(=CC=C1NC(=O)CC(=O)NN)Cl","DCOQZBAZLFPAAU-UHFFFAOYSA-N",385913,NA,"PDBC41829","677375","Present",NA,NA
+"41830","N-(4-Chlorophenyl)-3-imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine",NA,"CN1CCC2=C(C1)SC3=C2C(=N)N(C=N3)NC4=CC=C(C=C4)Cl","UHFWNWJCNNZZHC-UHFFFAOYSA-N",397285,NA,"PDBC41830","704838","Present",NA,NA
+"41831","N-(4-Chlorophenyl)-3-imino-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-imino-5-(methylthio)-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,"CSC1=C(C(=NN1C2=CC=CC=C2)N)C(=O)NC3=CC=C(C=C3)Cl","HHGFZWAYLYIYPZ-UHFFFAOYSA-N",392154,NA,"PDBC41831","692034","Present",NA,NA
+"41832","N-(4-Chlorophenyl)-3-imino-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-imino-5-(methylthio)-2,3-dihydro-1H-pyrazole-4-carboxamide",NA,"CSC1=NNC(=C1C(=O)NC2=CC=C(C=C2)Cl)N","YSMOMJMTPUQNKG-UHFFFAOYSA-N",392156,NA,"PDBC41832","692036","Present",NA,NA
+"41833","N-(4-Chlorophenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,"C1C(N(N=C1N2C3=CC=CC=C3SC4=CC=CC=C42)C(=O)CC(=O)NC5=CC=C(C=C5)Cl)C6=CC=CC=C6","ZYCWKYISQGBJSK-UHFFFAOYSA-N",357547,NA,"PDBC41833","617011","Present",NA,NA
+"41834","N-(4-Chlorophenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide",NA,"C1CCN(CC1)C2=NN(C(C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)Cl","AOABVNZKJIMHHB-UHFFFAOYSA-N",386791,NA,"PDBC41834","679499","Present",NA,NA
+"41835","N-(4-Chlorophenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-oxo-3-[2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]hydrazinyl]propanamide",NA,"C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CNNC(=O)CC(=O)NC3=CC=C(C=C3)Cl","OBHLEKJFIMISHS-UHFFFAOYSA-N",357549,NA,"PDBC41835","617013","Present",NA,NA
+"41836","N-(4-Chlorophenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide",NA,"C1C(N(N=C1N(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","RNULZTXGTGKJJO-UHFFFAOYSA-N",389691,NA,"PDBC41836","686234","Present",NA,NA
+"41837","N-(4-Chlorophenyl)-3-{3-[(4-chlorophenyl)(2-cyanoethyl)amino]-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl}-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-[4-Chloro-N-(2-cyanoethyl)anilino]-3-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-chlorophenyl)-3-oxopropanamide",NA,"C1C(N(N=C1N(CCC#N)C2=CC=C(C=C2)Cl)C(=O)CC(=O)NC3=CC=C(C=C3)Cl)C4=CC=CC=C4","BSMQDZLKZMCRDK-UHFFFAOYSA-N",365705,NA,"PDBC41837","633642","Present",NA,NA
+"41838","N-(4-Chlorophenyl)-4,6-dioxo-8-phenyl-7-octenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4,6-dioxo-8-phenyl-7-octenamide",NA,"C1=CC=C(C=C1)C=CC(=O)CC(=O)CCC(=O)NC2=CC=C(C=C2)Cl","GCSDREAXVFBJOE-IZZDOVSWSA-N",5387303,NA,"PDBC41838","622570","Present",NA,NA
+"41839","N-(4-Chlorophenyl)-4-(1-naphthyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-(1-naphthyl)-2,4-dioxobutanamide",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)CC(=O)C(=O)NC3=CC=C(C=C3)Cl","CQMDAORAIQQFBN-UHFFFAOYSA-N",360358,NA,"PDBC41839","622416","Present",NA,NA
+"41840","N-(4-Chlorophenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-(2,5-dioxocyclohexyl)-4-oxobutanamide",NA,"C1CC(=O)C(CC1=O)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl","XAJMFMHMAHICBS-UHFFFAOYSA-N",360426,NA,"PDBC41840","622562","Present",NA,NA
+"41841","N-(4-Chlorophenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-(2-((hydrazino(oxo)acetyl)hydrazono)-5-oxocyclohexyl)-4-oxobutanamide",NA,"C1CC(=NNC(=O)C(=O)NN)C(CC1=O)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl","NHMINUOBIIJFLW-OEAKJJBVSA-N",6373963,NA,"PDBC41841","632028","Present",NA,NA
+"41842","N-(4-Chlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3=CC=C(C=C3)Cl","DDQHTZFMSGAPTM-UHFFFAOYSA-N",364309,NA,"PDBC41842","630327","Present",NA,NA
+"41843","N-(4-Chlorophenyl)-4-(4-methyl-2-(4-toluidino)-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-(4-methyl-2-(4-toluidino)-1,3-thiazol-5-yl)-2,4-dioxobutanamide",NA,"CC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)CC(=O)C(=O)NC3=CC=C(C=C3)Cl)C","NMVZEXCKQBSCKV-UHFFFAOYSA-N",377063,NA,"PDBC41843","658278","Present",NA,NA
+"41844","N-(4-Chlorophenyl)-4-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-(hydroxy(oxido)amino)-N-methylbenzenesulfonamide",NA,"CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","VDDTYGFCISFYTI-UHFFFAOYSA-N",383165,NA,"PDBC41844","671278","Present",NA,NA
+"41845","N-(4-Chlorophenyl)-4-(phenoxymethyl)phthalazin-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783922",NA,"C1=CC=C(C=C1)OCC2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Cl","JDDSEFVRVOBYRR-UHFFFAOYSA-N",155805731,NA,"PDBC41845","783922","Present",NA,NA
+"41846","N-(4-Chlorophenyl)-4-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6-methylpyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-[(2E)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-2-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-6-methylpyrimidine-5-carboxamide",NA,"CC1=C(C(=NC(=N1)NC(C)(CO)CO)NN=CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","RMLKPGOWJWOULV-KBKYJPHKSA-N",9571900,NA,"PDBC41846","669467","Present",NA,NA
+"41847","N-(4-Chlorophenyl)-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=NC(=O)N1)NN=CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)Cl","QYOVAJHUYCCKRM-UFFVCSGVSA-N",135499289,NA,"PDBC41847","648198","Present",NA,NA
+"41848","N-(4-Chlorophenyl)-4-[[(E)-(4-chlorophenyl)methylideneamino]-(2-hydroxyethyl)amino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-[[(E)-(4-chlorophenyl)methylideneamino]-(2-hydroxyethyl)amino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=NC(=O)N1)N(CCO)N=CC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","JRKARMFZFFRTQZ-WYMPLXKRSA-N",9571866,NA,"PDBC41848","666979","Present",NA,NA
+"41849","N-(4-Chlorophenyl)-4-hydroxy-2-methyl-5-propan-2-ylbenzenecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-hydroxy-2-methyl-5-propan-2-ylbenzenecarbothioamide",NA,"CC1=CC(=C(C=C1C(=S)NC2=CC=C(C=C2)Cl)C(C)C)O","XOKYRVIVUVAFGK-UHFFFAOYSA-N",135426704,NA,"PDBC41849","710011","Present",NA,NA
+"41850","N-(4-Chlorophenyl)-4-methyl-1,6-dioxo-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-4-methyl-1,6-dioxo-8,8a-dihydro-7H-pyrrolo[1,2-d][1,2,4]triazine-2-carboxamide",NA,"CC1=NN(C(=O)C2N1C(=O)CC2)C(=O)NC3=CC=C(C=C3)Cl","SGLDBTHVOVYPMN-UHFFFAOYSA-N",366811,NA,"PDBC41850","635583","Present",NA,NA
+"41851","N-(4-Chlorophenyl)-5-(diethylaminomethyl)thiophene-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-5-(diethylaminomethyl)thiophene-2-carbothioamide",NA,"CCN(CC)CC1=CC=C(S1)C(=S)NC2=CC=C(C=C2)Cl","NWZPZSSWIYOYPX-UHFFFAOYSA-N",5471262,NA,"PDBC41851","710019","Present",NA,NA
+"41852","N-(4-Chlorophenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide",NA,"C1CCN(CC1)CC2=CC=C(S2)C(=S)NC3=CC=C(C=C3)Cl","ADTDVXWCGNHHME-UHFFFAOYSA-N",5471265,NA,"PDBC41852","710022","Present",NA,NA
+"41853","N-(4-Chlorophenyl)-5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-chlorophenyl)-5-{[(2,5-dihydroxyphenyl)methyl]amino...",NA,"C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)NCC3=C(C=CC(=C3)O)O)O)Cl","ACSPHEVUHQVZIP-UHFFFAOYSA-N",155807337,NA,"PDBC41853","797715","Present",NA,NA
+"41854","N-(4-Chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-5-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-1,3,4-oxadiazol-2-amine",NA,"COC1=CC(=C(C=C1)OC)C=CC2=NN=C(O2)NC3=CC=C(C=C3)Cl","CJHCRQWJQHNXKV-XCVCLJGOSA-N",60147767,NA,"PDBC41854","752384","Present",NA,NA
+"41855","N-(4-Chlorophenyl)-5-cyano-4-((3-hydroxy-2-naphthoyl)hydrazono)-5-phenylpentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-5-cyano-4-((3-hydroxy-2-naphthoyl)hydrazono)-5-phenylpentanamide",NA,"C1=CC=C(C=C1)C(C#N)C(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CCC(=O)NC4=CC=C(C=C4)Cl","WGEZIBBZWASWKM-MHTZHOPKSA-N",6161582,NA,"PDBC41855","632031","Present",NA,NA
+"41856","N-(4-Chlorophenyl)-5-isobutyryl-4-oxononanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-5-isobutyryl-4-oxononanamide",NA,"CCCCC(C(=O)CCC(=O)NC1=CC=C(C=C1)Cl)C(=O)C(C)C","PZGMNYBOAPFXDZ-UHFFFAOYSA-N",364267,NA,"PDBC41856","630284","Present",NA,NA
+"41857","N-(4-Chlorophenyl)-5-methyl-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-5-methyl-1,3,4-oxadiazol-2-amine",NA,"CC1=NN=C(O1)NC2=CC=C(C=C2)Cl","WWNCBEMNAZHKPR-UHFFFAOYSA-N",377680,NA,"PDBC41857","659260","Present",NA,NA
+"41858","N-(4-Chlorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-5-methylene-4,5-dihydro-1,3-thiazol-2-amine",NA,"C=C1CN=C(S1)NC2=CC=C(C=C2)Cl","ZEVIXJJHYFEMJX-UHFFFAOYSA-N",383605,NA,"PDBC41858","672023","Present",NA,NA
+"41859","N-(4-Chlorophenyl)-5-nitrofuran-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(4- chlorophenyl)-5-nitro-2-furamide",NA,"C1=CC(=CC=C1NC(=O)C2=CC=C(O2)[N+](=O)[O-])Cl","JDBZJNUHQINERI-UHFFFAOYSA-N",844044,NA,"PDBC41859","761634","Present",NA,NA
+"41860","N-(4-Chlorophenyl)-6-((2-chlorophenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-6-((2-chlorophenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide",NA,"C1=CC=C(C(=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=C(C=C4)Cl)Cl","ARPLBCSMWDQQSD-UHFFFAOYSA-N",370465,NA,"PDBC41860","643596","Present",NA,NA
+"41861","N-(4-Chlorophenyl)-6-((4-methoxyphenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-6-((4-methoxyphenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide",NA,"COC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=O)NC4=CC=C(C=C4)Cl","VEKUUVRAVGECSD-UHFFFAOYSA-N",378944,NA,"PDBC41861","662452","Present",NA,NA
+"41862","N-(4-Chlorophenyl)-6-(2-naphthyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-6-(2-naphthyl)-4,6-dioxohexanamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)CC(=O)CCC(=O)NC3=CC=C(C=C3)Cl","VDZPHURUSRSFFY-UHFFFAOYSA-N",364969,NA,"PDBC41862","631855","Present",NA,NA
+"41863","N-(4-Chlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-6-(4-fluorophenyl)-4,6-dioxohexanamide",NA,"C1=CC(=CC=C1C(=O)CC(=O)CCC(=O)NC2=CC=C(C=C2)Cl)F","QLRPFKUVPXCTDC-UHFFFAOYSA-N",360656,NA,"PDBC41863","622974","Present",NA,NA
+"41864","N-(4-Chlorophenyl)-6-hexyl-2-mercapto-4-pyrimidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-6-hexyl-2-mercapto-4-pyrimidinecarboxamide",NA,"CCCCCCC1=CC(=NC(=S)N1)C(=O)NC2=CC=C(C=C2)Cl","XNZMEILOVFPBON-UHFFFAOYSA-N",3004053,NA,"PDBC41864","624468","Present",NA,NA
+"41865","N-(4-Chlorophenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-7-(4-fluorophenyl)-5-((hydrazino(oxo)acetyl)hydrazono)-7-oxoheptanamide",NA,"C1=CC(=CC=C1C(=O)CC(=NNC(=O)C(=O)NN)CCCC(=O)NC2=CC=C(C=C2)Cl)F","ADMVLUJOUHQWBV-WPWMEQJKSA-N",6374157,NA,"PDBC41865","632010","Present",NA,NA
+"41866","N-(4-Chlorophenyl)-7-fluoro-3-hydroxynaphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781617",NA,"C1=CC(=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)F)O)Cl","GBYTWJJQGKTNTK-UHFFFAOYSA-N",155816913,NA,"PDBC41866","781617","Present",NA,NA
+"41867","N-(4-Chlorophenyl)-7-methyl-5-oxo-1,2,3,5-tetrahydroimidazo[1,2-c]pyrimidine-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-7-methyl-5-oxo-1,2,3,5-tetrahydroimidazo[1,2-c]pyrimidine-8-carboxamide",NA,"CC1=NC(=O)N2CCNC2=C1C(=O)NC3=CC=C(C=C3)Cl","WIVMYCMTHVFMHS-UHFFFAOYSA-N",360776,NA,"PDBC41867","623131","Present",NA,NA
+"41868","N-(4-Chlorophenyl)-7-methyl-5-oxo-2,3-dihydro-1H-imidazo[1,2-c]pyrimidine-8-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Imidazol[1,2-c]pyrimidine-8-carboxamide,  N-(d4-chloroph...",NA,"CC1=NC(=O)N2CCNC2=C1C(=O)NC3=CC=C(C=C3)Cl.Cl","QGSXUSCWDHXDAO-UHFFFAOYSA-N",362470,NA,"PDBC41868","626420","Present",NA,NA
+"41869","N-(4-Chlorophenyl)-N'-(2,2-dimethylpropyl)propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-N'-(2,2-dimethylpropyl)propane-1,3-diamine",NA,"CC(C)(C)CNCCCNC1=CC=C(C=C1)Cl","JPONUXJOLTUVAB-UHFFFAOYSA-N",403668,NA,"PDBC41869","718777","Present",NA,NA
+"41870","N-(4-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-N'-(4,6-dimethyl-2-pyridinyl)thiourea",NA,"CC1=CC(=NC(=C1)NC(=S)NC2=CC=C(C=C2)Cl)C","JIRCAXHRISHWAQ-UHFFFAOYSA-N",3005375,NA,"PDBC41870","695063","Present",NA,NA
+"41871","N-(4-Chlorophenyl)-N'-[(E)-1-(2-oxochromen-3-yl)ethylideneamino]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-N'-[(E)-1-(2-oxochromen-3-yl)ethylideneamino]propanediamide",NA,"CC(=NNC(=O)CC(=O)NC1=CC=C(C=C1)Cl)C2=CC3=CC=CC=C3OC2=O","LDYKPJLLQJZMGV-FSJBWODESA-N",9569826,NA,"PDBC41871","621107","Present",NA,NA
+"41872","N-(4-Chlorophenyl)-N-(3-(2-(3-furyl)hydrazino)-2,3-dioxopropyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-N-(3-(2-(3-furyl)hydrazino)-2,3-dioxopropyl)acetamide",NA,"CC(=O)N(CC(=O)C(=O)NNC1=COC=C1)C2=CC=C(C=C2)Cl","BEPTYFFGWATXGH-UHFFFAOYSA-N",379783,NA,"PDBC41872","664873","Present",NA,NA
+"41873","N-(4-Chlorophenyl)-N-({[2-(4-chlorophenyl)ethyl]amino]carbonothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-N-({[2-(4-chlorophenyl)ethyl]amino]ca...",NA,"C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=S)NCCC3=CC=C(C=C3)Cl","PEOKEDZNFXQOMN-UHFFFAOYSA-N",45029410,NA,"PDBC41873","746701","Present",NA,NA
+"41874","N-(4-Chlorophenyl)-N-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-N-methylbenzenesulfonamide",NA,"CN(C1=CC=C(C=C1)Cl)S(=O)(=O)C2=CC=CC=C2","MIPPUZLVNVNAPW-UHFFFAOYSA-N",383175,NA,"PDBC41874","671288","Present",NA,NA
+"41875","N-(4-Chlorophenyl)furo[3,2-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)furo[3,2-c]quinolin-4-amine",NA,"C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)Cl","MZTAZSNEQHBLOH-UHFFFAOYSA-N",24203908,NA,"PDBC41875","730138","Present",NA,NA
+"41876","N-(4-Cyano-1-oxo-1,5-dihydropyrido[1,2-a]benzimidazol-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-benzamido-4-cyano-1-oxo-1H,5H-pyrido[1,2-a]benzimidazole",NA,"C1=CC=C(C=C1)C(=O)NC2=CC(=C3NC4=CC=CC=C4N3C2=O)C#N","PWQUOJXKRQQUHS-UHFFFAOYSA-N",362686,NA,"PDBC41876","626921","Present",NA,NA
+"41877","N-(4-Cyano-3-methyl-5-isoxazolyl)-N'-(2-fluorophenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Cyano-3-methyl-5-isoxazolyl)-N'-(2-fluorophenyl)urea",NA,"CC1=NOC(=C1C#N)NC(=O)NC2=CC=CC=C2F","XKXNHDFGHFCRBG-UHFFFAOYSA-N",331212,NA,"PDBC41877","321785","Present",NA,NA
+"41878","N-(4-Diethylaminobenzylideneamino)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Diethylaminobenzylideneamino)guanidine",NA,"CCN(CC)C1=CC=C(C=C1)C=NN=C(N)N","USSKVRINIDXTJL-OQLLNIDSSA-N",9561622,NA,"PDBC41878","65814","Present",NA,NA
+"41879","N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=O)C2C(=O)NC3=CC=CC=C3S2=O","WSIBVDIYOZHPHF-UHFFFAOYSA-N",372886,NA,"PDBC41879","648598","Present",NA,NA
+"41880","N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Ethoxyphenyl)-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)acetamide",NA,"CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2=O","BPZDUMJZIKFAAB-UHFFFAOYSA-N",366110,NA,"PDBC41880","634397","Present",NA,NA
+"41881","N-(4-Ethoxyphenyl)-2-(4-oxo-2-(4-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Ethoxyphenyl)-2-(4-oxo-2-(4-toluidino)-4,5-dihydro-1,3-thiazol-5-yl)acetamide",NA,"CCOC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NC3=CC=C(C=C3)C)S2","WPVLIEHYDCXZJG-UHFFFAOYSA-N",135445034,NA,"PDBC41881","634395","Present",NA,NA
+"41882","N-(4-Ethoxyphenyl)-2-(hydroxyimino)-3-(3-hydroxy-2-quinoxalinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Ethoxyphenyl)-2-(hydroxyimino)-3-(3-hydroxy-2-quinoxalinyl)propanamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=NO)CC2=NC3=CC=CC=C3NC2=O","SIFRMNSUCYOQPL-QJOMJCCJSA-N",9571340,NA,"PDBC41882","646377","Present",NA,NA
+"41883","N-(4-Ethoxyphenyl)-3-(2-furyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK259678",NA,"CCOC1=CC=C(C=C1)NC(=O)C=CC2=CC=CO2","JNBHFGXTZZMXPN-MDZDMXLPSA-N",963805,NA,"PDBC41883","667742","Present",NA,NA
+"41884","N-(4-Ethoxyphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Ethoxyphenyl)-3-(5-methylsulfanyl-1,3,4-oxadiazol-2-yl)propanamide",NA,"CCOC1=CC=C(C=C1)NC(=O)CCC2=NN=C(O2)SC","VFWXRRNAFNNHSF-UHFFFAOYSA-N",367746,NA,"PDBC41884","637685","Present",NA,NA
+"41885","N-(4-Ethoxyphenyl)-4-(3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Ethoxyphenyl)-4-(3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)-2,4-dioxo-butanamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C","HABSHDVCGNMKSS-UHFFFAOYSA-N",364331,NA,"PDBC41885","630346","Present",NA,NA
+"41886","N-(4-Ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Ethoxyphenyl)-4-(3-methyl-4H-1,4-benzothiazin-2-yl)-2,4-dioxobutanamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=O)CC(=O)C2=C(NC3=CC=CC=C3S2)C","YKGZRCRHSFALLF-UHFFFAOYSA-N",366691,NA,"PDBC41886","635408","Present",NA,NA
+"41887","N-(4-Ethoxyphenyl)-4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Ethoxyphenyl)-4-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=O)N=C2NN=CC3=CC=C(C=C3)OC)C","KLLQFGBAWQPCIL-YDZHTSKRSA-N",9571768,NA,"PDBC41887","648200","Present",NA,NA
+"41888","N-(4-Ethoxyphenyl)-4-hydrazino-4-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS021522",NA,"CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NN","QXJVDNBFWNABRF-UHFFFAOYSA-N",366635,NA,"PDBC41888","635310","Present",NA,NA
+"41889","N-(4-Ethoxyphenyl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Ethoxyphenyl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C4=CC5=CC=CC=C5C=C4","QTEXSGJHQLZBJL-UHFFFAOYSA-N",369465,NA,"PDBC41889","641235","Present",NA,NA
+"41890","N-(4-Ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Ethoxyphenyl)-N-methyl-4-[(E)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline;chloride;hydrochloride",NA,"CCOC1=CC=C(C=C1)N(C)C2=CC=C(C=C2)C=CC3=[N+](C4=CC=CC=C4C3(C)C)C.Cl.[Cl-]","ISXULQMIXWTWJH-UHFFFAOYSA-M",54602338,NA,"PDBC41890","31782","Present",NA,NA
+"41891","N-(4-Ethoxyphenyl)acridin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL332400",NA,"CCOC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42","XVEBRLBGCRNIRF-UHFFFAOYSA-N",232570,NA,"PDBC41891","30205","Present",NA,NA
+"41892","N-(4-Fluoro-3-nitrophenyl)sydnone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluoro-3-nitrophenyl)sydnone",NA,"C1=CC(=C(C=C1[N+]2=NOC(=C2)[O-])[N+](=O)[O-])F","PXEQRBFQKNGHCQ-UHFFFAOYSA-N",405167,NA,"PDBC41892","722211","Present",NA,NA
+"41893","N-(4-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)-2-(2-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,"C1=CC=C(C(=C1)N=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)NC4=CC=C(C=C4)F)F","VCLLPSXBRNMLCE-UHFFFAOYSA-N",135426698,NA,"PDBC41893","709570","Present",NA,NA
+"41894","N-(4-Fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)-2-(2-oxo-3-phenylquinoxalin-1-yl)acetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)F","CVUIWSYQLQNQTG-UHFFFAOYSA-N",11975181,NA,"PDBC41894","735805","Present",NA,NA
+"41895","N-(4-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)-2-(3-fluorophenyl)imino-7-hydroxychromene-3-carboxamide",NA,"C1=CC(=CC(=C1)F)N=C2C(=CC3=C(O2)C=C(C=C3)O)C(=O)NC4=CC=C(C=C4)F","BVVZYQFAYWLNNB-UHFFFAOYSA-N",135426699,NA,"PDBC41895","709571","Present",NA,NA
+"41896","N-(4-Fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfanylacetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)F","UOYCHBFCRHMSFA-UHFFFAOYSA-N",16079751,NA,"PDBC41896","735806","Present",NA,NA
+"41897","N-(4-Fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfonylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)-2-(3-phenylquinoxalin-2-yl)sulfonylacetamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3N=C2S(=O)(=O)CC(=O)NC4=CC=C(C=C4)F","SEIUBZYCTWHKBO-UHFFFAOYSA-N",16079755,NA,"PDBC41897","735807","Present",NA,NA
+"41898","N-(4-Fluorophenyl)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)-2-[(2E)-2-(2-hydroxybenzylidene)hydrazino]-2-oxoacetamide",NA,"C1=CC=C(C(=C1)C=NNC(=O)C(=O)NC2=CC=C(C=C2)F)O","QLSHZGQJRNOEGU-RQZCQDPDSA-N",135452595,NA,"PDBC41898","329060","Present",NA,NA
+"41899","N-(4-Fluorophenyl)-3,5-bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-bis(4-hydroxy-3-methoxystyryl)-N-(4-fluorophenyl)-1H...",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)NC3=CC=C(C=C3)F)C=CC4=CC(=C(C=C4)O)OC)O","LTYSPUPNBNZELX-KGNILVOKSA-N",155811396,NA,"PDBC41899","757925","Present",NA,NA
+"41900","N-(4-Fluorophenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)-3-(hydroxy(oxido)amino)-2-oxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)propanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C(=O)NC3=CC=C(C=C3)F)[N+](=O)[O-]","LLFJYBIJNREACE-UHFFFAOYSA-N",369444,NA,"PDBC41900","641214","Present",NA,NA
+"41901","N-(4-Fluorophenyl)-3-imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)-3-imino-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-4-amine",NA,"CN1CCC2=C(C1)SC3=C2C(=N)N(C=N3)NC4=CC=C(C=C4)F","JZELBCZDIUEQHG-UHFFFAOYSA-N",397283,NA,"PDBC41901","704836","Present",NA,NA
+"41902","N-(4-Fluorophenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine",NA,"C1=CC=NC(=C1)C2=NN=C(S2)NC3=CC=C(C=C3)F","DIPQPAZIRCTDMN-UHFFFAOYSA-N",397505,NA,"PDBC41902","705600","Present",NA,NA
+"41903","N-(4-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)-6-hexyl-7-hydroxy-2-iminochromene-3-carboxamide",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=C(C=C3)F)O","WSSYFNVGQGIFCE-UHFFFAOYSA-N",135426703,NA,"PDBC41903","709581","Present",NA,NA
+"41904","N-(4-Fluorophenyl)-N-(phenylsulfonyl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ADAL1192545",NA,"C1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=C(C=C2)F","OQMQAQIMIHSBRB-UHFFFAOYSA-N",362738,NA,"PDBC41904","626993","Present",NA,NA
+"41905","N-(4-Fluorophenyl)furo[3,2-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Fluorophenyl)furo[3,2-c]quinolin-4-amine",NA,"C1=CC=C2C(=C1)C3=C(C=CO3)C(=N2)NC4=CC=C(C=C4)F","DZHXRJANCHTFCG-UHFFFAOYSA-N",24203907,NA,"PDBC41905","730137","Present",NA,NA
+"41906","N-(4-Hydroxy-2-butenyl)phthalimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Hydroxy-2-butenyl)phthalimide",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CC=CCO","NCKMGBNKBSCCKU-ONEGZZNKSA-N",5387030,NA,"PDBC41906","619929","Present",NA,NA
+"41907","N-(4-Hydroxy-3-(quinolin-8-ylthio)naphthalen-1-yl)-4-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]-4-methoxyb...",NA,"COC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=CC=CC5=C4N=CC=C5","SBNNJXVXPSWMND-UHFFFAOYSA-N",2133801,NA,"PDBC41907","780575","Present",NA,NA
+"41908","N-(4-Hydroxy-3-methoxybenzyl)-12-methyltridecanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Hydroxy-3-methoxybenzyl)-12-methyltridecanethioamide",NA,"CC(C)CCCCCCCCCCC(=S)NCC1=CC(=C(C=C1)O)OC","JFDSYEICLRNAQR-UHFFFAOYSA-N",3004936,NA,"PDBC41908","664267","Present",NA,NA
+"41909","N-(4-Hydroxy-3-phenylsulfanylnaphthalen-1-yl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-hydroxy-3-(phenylthio)-1-naphthyl]-4-methylbenzenes...",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=CC=CC=C4","BLTMRVBHRPRVNU-UHFFFAOYSA-N",2206272,NA,"PDBC41909","780574","Present",NA,NA
+"41910","N-(4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-4-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Hydroxy-5-oxocyclohepta-1,3,6-trien-1-yl)-4-methoxybenzamide",NA,"COC1=CC=C(C=C1)C(=O)NC2=CC=C(C(=O)C=C2)O","DPALTHDQYPLENE-UHFFFAOYSA-N",257612,NA,"PDBC41910","85779","Present",NA,NA
+"41911","N-(4-Hydroxy-8-quinazolinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Hydroxy-8-quinazolinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=CNC3=O","XNIUSFDNKLNLOF-UHFFFAOYSA-N",135408743,NA,"PDBC41911","4367","Present",NA,NA
+"41912","N-(4-Hydroxyphenyl)-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Hydroxyphenyl)-4-[(2E)-2-[(4-hydroxyphenyl)methylidene]hydrazinyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=NC(=O)N1)NN=CC2=CC=C(C=C2)O)C(=O)NC3=CC=C(C=C3)O","NPPWZNMIBMBJEY-KEBDBYFISA-N",135499290,NA,"PDBC41912","648199","Present",NA,NA
+"41913","N-(4-Iodophenyl)maleimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JS-053C",NA,"C1=CC(=CC=C1N2C(=O)C=CC2=O)I","GIXQASIEVHMYQH-UHFFFAOYSA-N",96758,NA,"PDBC41913","88871","Present",NA,NA
+"41914","N-(4-Methoxy-1-naphthyl)-N'-methylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxy-1-naphthyl)-N'-methylthiourea",NA,"CNC(=S)NC1=CC=C(C2=CC=CC=C21)OC","RLLMLSPAIJAIPD-UHFFFAOYSA-N",3003857,NA,"PDBC41914","159953","Present",NA,NA
+"41915","N-(4-Methoxybenzyl)-3,4-dimethoxyaniline-hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxybenzyl)-3,4-dimethoxyaniline-hydrochloride",NA,"COC1=CC=C(C=C1)CNC2=CC(=CC(=C2)OC)OC.Cl","SCXUDSSWOHULLT-UHFFFAOYSA-N",364709,NA,"PDBC41915","631367","Present",NA,NA
+"41916","N-(4-Methoxybenzyl)-3,5-dimethoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxybenzyl)-3,5-dimethoxyaniline",NA,"COC1=CC=C(C=C1)CNC2=CC(=CC(=C2)OC)OC","URDGSWSJNMUJLE-UHFFFAOYSA-N",364710,NA,"PDBC41916","631368","Present",NA,NA
+"41917","N-(4-Methoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxybenzyl)-3-(2-thienyl)-2-quinoxalinamine",NA,"COC1=CC=C(C=C1)CNC2=NC3=CC=CC=C3N=C2C4=CC=CS4","CWFYUPAGZDCBJS-UHFFFAOYSA-N",384959,NA,"PDBC41917","675783","Present",NA,NA
+"41918","N-(4-Methoxybenzyl)-3-hydroxypyridinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxybenzyl)-3-hydroxypyridinium bromide",NA,"COC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)O.[Br-]","ZWIINCUFMLWFET-UHFFFAOYSA-N",376757,NA,"PDBC41918","657814","Present",NA,NA
+"41919","N-(4-Methoxybenzyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL417204",NA,"CC(C(=O)O)NCC1=CC=C(C=C1)OC","DVWKAPURRINTQG-UHFFFAOYSA-N",257796,NA,"PDBC41919","86380","Present",NA,NA
+"41920","N-(4-Methoxyphenyl)-2,4,6-trimethylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-2,4,6-trimethylbenzenesulfinamide",NA,"CC1=CC(=C(C(=C1)C)S(=O)NC2=CC=C(C=C2)OC)C","PQPPEWKFHKYMJR-UHFFFAOYSA-N",385384,NA,"PDBC41920","676558","Present",NA,NA
+"41921","N-(4-Methoxyphenyl)-2-((5-methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-2-[(5-methyl-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide",NA,"CC1=NC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)OC)SC(=S)N2C4=CC=CC=C4","FNWBMWVOKIHILT-UHFFFAOYSA-N",378705,NA,"PDBC41921","661810","Present",NA,NA
+"41922","N-(4-Methoxyphenyl)-2-phenylethanesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-2-phenylethanesulfinamide",NA,"COC1=CC=C(C=C1)NS(=O)CCC2=CC=CC=C2","HZDKWFXWBCCNLU-UHFFFAOYSA-N",385394,NA,"PDBC41922","676568","Present",NA,NA
+"41923","N-(4-Methoxyphenyl)-3-(2-thienyl)-2-quinoxalinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-3-(2-thienyl)-2-quinoxalinamine",NA,"COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3N=C2C4=CC=CS4","ZQOXRHOAQLZARW-UHFFFAOYSA-N",371170,NA,"PDBC41923","645171","Present",NA,NA
+"41924","N-(4-Methoxyphenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-3-(4-((2-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"CC1=CC=CC=C1N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)OC)C5=CC=CC=C5","QAPMHUQSAAKZOW-UHFFFAOYSA-N",369125,NA,"PDBC41924","640673","Present",NA,NA
+"41925","N-(4-Methoxyphenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-3-(4-((4-methoxyphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(=C(C(=N2)C3=CC=CC=C3)N=NC4=CC=C(C=C4)OC)C5=CC=CC=C5","IHHUUEYEUCMZKT-UHFFFAOYSA-N",369382,NA,"PDBC41925","641144","Present",NA,NA
+"41926","N-(4-Methoxyphenyl)-3-(4-((4-methylphenyl)diazenyl)-3,5-diphenyl-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazole-1-propanamide, 3,5-diphenyl- N-(4-methoxyphe...",NA,"CC1=CC=C(C=C1)N=NC2=C(N(N=C2C3=CC=CC=C3)C(=O)CC(=O)NC4=CC=C(C=C4)OC)C5=CC=CC=C5","JKPJITBEAVMWLZ-UHFFFAOYSA-N",367846,NA,"PDBC41926","637921","Present",NA,NA
+"41927","N-(4-Methoxyphenyl)-3-(5,6,7-trimethoxy-3,4-dihydro-2H-chromen-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-methoxyphenyl)-3-(5,6,7-trimethoxychroman-2-yl)benz...",NA,"COC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3CCC4=C(C(=C(C=C4O3)OC)OC)OC","UYVMJFWMWINCSW-UHFFFAOYSA-N",155814000,NA,"PDBC41927","802642","Present",NA,NA
+"41928","N-(4-Methoxyphenyl)-3-methylbenzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-3-methylbenzenesulfinamide",NA,"CC1=CC(=CC=C1)S(=O)NC2=CC=C(C=C2)OC","KDPXJECXKJPMGH-UHFFFAOYSA-N",385395,NA,"PDBC41928","676569","Present",NA,NA
+"41929","N-(4-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-3-oxo-3-(5-phenothiazin-10-yl-3-phenyl-3,4-dihydropyrazol-2-yl)propanamide",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6","OJOCROVDUDKBKX-UHFFFAOYSA-N",389694,NA,"PDBC41929","686238","Present",NA,NA
+"41930","N-(4-Methoxyphenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N3CCCCC3)C4=CC=CC=C4","QJYYTKPLABDMRQ-UHFFFAOYSA-N",386790,NA,"PDBC41930","679498","Present",NA,NA
+"41931","N-(4-Methoxyphenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-3-oxo-3-[3-phenyl-5-(N-phenylanilino)-3,4-dihydropyrazol-2-yl]propanamide",NA,"COC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","IVOHMCZNMFBXFE-UHFFFAOYSA-N",389689,NA,"PDBC41931","686232","Present",NA,NA
+"41932","N-(4-Methoxyphenyl)-3-phenyl-1-propanesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-3-phenyl-1-propanesulfinamide",NA,"COC1=CC=C(C=C1)NS(=O)CCCC2=CC=CC=C2","MSQKSPBBRATJHV-UHFFFAOYSA-N",385386,NA,"PDBC41932","676560","Present",NA,NA
+"41933","N-(4-Methoxyphenyl)-4-(methylamino)benzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-4-(methylamino)benzenesulfinamide",NA,"CNC1=CC=C(C=C1)S(=O)NC2=CC=C(C=C2)OC","RBZRYEPFMZXTEW-UHFFFAOYSA-N",385379,NA,"PDBC41933","676553","Present",NA,NA
+"41934","N-(4-Methoxyphenyl)-5-(4-methoxyphenyl)imino-4-sulfanyldithiole-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-5-(4-methoxyphenyl)imino-4-sulfanyldithiole-3-carbothioamide",NA,"COC1=CC=C(C=C1)NC(=S)C2=C(C(=NC3=CC=C(C=C3)OC)SS2)S","RGMHZCNCZBDEKJ-UHFFFAOYSA-N",54681589,NA,"PDBC41934","717074","Present",NA,NA
+"41935","N-(4-Methoxyphenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide",NA,"COC1=CC=C(C=C1)NC(=S)C2=CC=C(S2)CN3CCCCC3","UGJUQZUKYVMJJK-UHFFFAOYSA-N",5471264,NA,"PDBC41935","710021","Present",NA,NA
+"41936","N-(4-Methoxyphenyl)-5-nitrofuran-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-5-nitrofuran-2-carbothioamide",NA,"COC1=CC=C(C=C1)NC(=S)C2=CC=C(O2)[N+](=O)[O-]","OWQDEMZCGPNPOO-UHFFFAOYSA-N",5471621,NA,"PDBC41936","712207","Present",NA,NA
+"41937","N-(4-Methoxyphenyl)-6-((4-methoxyphenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-6-((4-methoxyphenyl)diazenyl)-2-oxo-2H-chromene-3-carboxamide",NA,"COC1=CC=C(C=C1)NC(=O)C2=CC3=C(C=CC(=C3)N=NC4=CC=C(C=C4)OC)OC2=O","ZZWDRURYLOLTAN-UHFFFAOYSA-N",379775,NA,"PDBC41937","664865","Present",NA,NA
+"41938","N-(4-Methoxyphenyl)-6-methyl-6H-indolo[2,3-B]quinolin-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-6-methyl-6H-indolo[2,3-B]quinolin-11-amine",NA,"CN1C2=CC=CC=C2C3=C(C4=CC=CC=C4N=C31)NC5=CC=C(C=C5)OC","ZOXGKOUNWFPEKB-UHFFFAOYSA-N",24204057,NA,"PDBC41938","730515","Present",NA,NA
+"41939","N-(4-Methoxyphenyl)-6H-indolo[2,3-b]quinolin-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-6H-indolo[2,3-b]quinolin-11-amine",NA,"COC1=CC=C(C=C1)NC2=C3C4=CC=CC=C4NC3=NC5=CC=CC=C52","CAUOQMWTNLBZLY-UHFFFAOYSA-N",24204053,NA,"PDBC41939","730510","Present",NA,NA
+"41940","N-(4-Methoxyphenyl)-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6H-1,3-Dioxolo[4,5-g][1]benzopyran-6-amine, 7,8-dihydro-...",NA,"CC1C(C2=CC3=C(C=C2OC1NC4=CC=C(C=C4)OC)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","MQCLPRQZBLMVHK-UHFFFAOYSA-N",381391,NA,"PDBC41940","667931","Present",NA,NA
+"41941","N-(4-Methoxyphenyl)-N'-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_001692",NA,"COC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2","JMKRMQGOPWYOGL-UHFFFAOYSA-N",686507,NA,"PDBC41941","191411","Present",NA,NA
+"41942","N-(4-Methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-methoxyphenyl)-N,5-dimethylfuro[2,3-d]pyrimidin-4-a...",NA,"CC1=COC2=NC=NC(=C12)N(C)C3=CC=C(C=C3)OC","UVZUIESPIIIPQW-UHFFFAOYSA-N",44555430,NA,"PDBC41942","748403","Present",NA,NA
+"41943","N-(4-Methoxyphenyl)-N-(phenylsulfonyl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_002746",NA,"COC1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2","XJVMWSBOCNRPNF-UHFFFAOYSA-N",362731,NA,"PDBC41943","626986","Present",NA,NA
+"41944","N-(4-Methoxyphenyl)-N-[2-[[3-(phenyltelluro)propyl]amino]-2-oxoethyl]-3-[(2-methyl-1,4-dioxo-1,4-dihydronaphthalene-3-yl)thio]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)sulfanyl-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]propanamide",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)SCCC(=O)N(CC(=O)NCCC[Te]C3=CC=CC=C3)C4=CC=C(C=C4)OC","PSUFXDQNZRLCKA-UHFFFAOYSA-N",44226544,NA,"PDBC41944","750227","Present",NA,NA
+"41945","N-(4-Methoxyphenyl)-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]benzamide",NA,"COC1=CC=C(C=C1)N(CC(=O)NCCC[Te]C2=CC=CC=C2)C(=O)C3=CC=CC=C3","NTDVMQHJDJVXBK-UHFFFAOYSA-N",54613364,NA,"PDBC41945","751132","Present",NA,NA
+"41946","N-(4-Methoxyphenyl)-N-methyl-6H-indolo[2,3-b]quinolin-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-N-methyl-6H-indolo[2,3-b]quinolin-11-amine",NA,"CN(C1=CC=C(C=C1)OC)C2=C3C4=CC=CC=C4NC3=NC5=CC=CC=C52","GVKBYMMGMFAHRK-UHFFFAOYSA-N",24204054,NA,"PDBC41946","730511","Present",NA,NA
+"41947","N-(4-Methoxyphenyl)-N-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-N-methylbenzenesulfonamide",NA,"CN(C1=CC=C(C=C1)OC)S(=O)(=O)C2=CC=CC=C2","KJSQPVRSXVERSV-UHFFFAOYSA-N",383174,NA,"PDBC41947","671287","Present",NA,NA
+"41948","N-(4-Methoxyphenyl)-all-trans-retinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)-all-trans-retinamide",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)NC2=CC=C(C=C2)OC)C)C","DBQHWMPFMCOGIW-ABRSJASVSA-N",6385696,NA,"PDBC41948","743413","Present",NA,NA
+"41949","N-(4-Methoxyphenyl)[1,1'-biphenyl]-4-sulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)[1,1'-biphenyl]-4-sulfinamide",NA,"COC1=CC=C(C=C1)NS(=O)C2=CC=C(C=C2)C3=CC=CC=C3","DOXHNDPWVBHLCQ-UHFFFAOYSA-N",385396,NA,"PDBC41949","676570","Present",NA,NA
+"41950","N-(4-Methoxyphenyl)cyclohexanesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)cyclohexanesulfinamide",NA,"COC1=CC=C(C=C1)NS(=O)C2CCCCC2","ZXELXIAASWWAMY-UHFFFAOYSA-N",385393,NA,"PDBC41950","676567","Present",NA,NA
+"41951","N-(4-Methoxyphenyl)furo[2,3-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)furo[2,3-b]quinolin-4-amine",NA,"COC1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42","JWXFRYWGGFWRKA-UHFFFAOYSA-N",406544,NA,"PDBC41951","724692","Present",NA,NA
+"41952","N-(4-Methoxyphenyl)furo[3,2-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methoxyphenyl)furo[3,2-c]quinolin-4-amine",NA,"COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","AFEOFLGKCMYRMC-UHFFFAOYSA-N",24203913,NA,"PDBC41952","730143","Present",NA,NA
+"41953","N-(4-Methyl-2-pyridinyl)-N'-(4-(methylthio)phenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methyl-2-pyridinyl)-N'-(4-(methylthio)phenyl)urea",NA,"CC1=CC(=NC=C1)NC(=O)NC2=CC=C(C=C2)SC","OYDMDQQQNDFMEE-UHFFFAOYSA-N",285402,NA,"PDBC41953","142269","Present",NA,NA
+"41954","N-(4-Methylphenyl)-2-((5-methyl-3-phenyl-2-thioxo-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7-yl)thio)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylphenyl)-2-[(5-methyl-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)sulfanyl]acetamide",NA,"CC1=CC=C(C=C1)NC(=O)CSC2=NC(=NC3=C2SC(=S)N3C4=CC=CC=C4)C","XMOZBELGYYTMOY-UHFFFAOYSA-N",378706,NA,"PDBC41954","661811","Present",NA,NA
+"41955","N-(4-Methylphenyl)-2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylphenyl)-2-[(2-oxo-3,7-dihydropurin-6-yl)sulfanyl]acetamide",NA,"CC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)NC3=C2NC=N3","INSAUNCQTJDSFO-UHFFFAOYSA-N",403030,NA,"PDBC41955","717503","Present",NA,NA
+"41956","N-(4-Methylphenyl)-3-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(4,5,6,7-Tetrahydro-benzo[b]thiophen-3-yl)-7H-[1,2,4]...",NA,"CC1=CC=C(C=C1)N=C2CSC3=NN=C(N3N2)C4=CSC5=C4CCCC5","UFSYDDIWUMGANS-UHFFFAOYSA-N",155814187,NA,"PDBC41956","790949","Present",NA,NA
+"41957","N-(4-Methylphenyl)-3-(5-oxo-6-(3-phenyl-2-propenylidene)-5,6-dihydro[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylphenyl)-3-[(6Z)-5-oxo-6-[(E)-3-phenylprop-2-enylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]propanamide",NA,"CC1=CC=C(C=C1)NC(=O)CCC2=NN=C3N2C(=O)C(=CC=CC4=CC=CC=C4)S3","XYXMMVZHRHNZGQ-VNVABUEJSA-N",5387697,NA,"PDBC41957","625828","Present",NA,NA
+"41958","N-(4-Methylphenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylphenyl)-3-oxo-3-(5-phenyl-3-(1-piperidinyl)-4,5-dihydro-1H-pyrazol-1-yl)propanamide",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)N2C(CC(=N2)N3CCCCC3)C4=CC=CC=C4","GHMIHOYVFLHYTF-UHFFFAOYSA-N",386789,NA,"PDBC41958","679497","Present",NA,NA
+"41959","N-(4-Methylphenyl)-4-(4-methylphenyl)imino-2-oxo-1,3,2lambda5-benzodioxaphosphinin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylphenyl)-4-(4-methylphenyl)imino-2-oxo-1,3,2lambda5-benzodioxaphosphinin-2-amine",NA,"CC1=CC=C(C=C1)NP2(=O)OC3=CC=CC=C3C(=NC4=CC=C(C=C4)C)O2","IRMJWRVBPJNKOB-UHFFFAOYSA-N",382341,NA,"PDBC41959","669808","Present",NA,NA
+"41960","N-(4-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylphenyl)-N'-(2,2,2-trifluoro-1-methoxy-1-(trifluoromethyl)ethyl)urea",NA,"CC1=CC=C(C=C1)NC(=O)NC(C(F)(F)F)(C(F)(F)F)OC","JSTGUVJINKUCHS-UHFFFAOYSA-N",383550,NA,"PDBC41960","671968","Present",NA,NA
+"41961","N-(4-Methylphenyl)-N'-[(E)-1-(2-oxochromen-3-yl)ethylideneamino]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylphenyl)-N'-[(E)-1-(2-oxochromen-3-yl)ethylideneamino]propanediamide",NA,"CC1=CC=C(C=C1)NC(=O)CC(=O)NN=C(C)C2=CC3=CC=CC=C3OC2=O","CIROXRXBTBDTEN-OEAKJJBVSA-N",9569827,NA,"PDBC41961","621108","Present",NA,NA
+"41962","N-(4-Methylphenyl)sulfonyl-4-(oxan-2-yloxy)but-2-ynamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylphenyl)sulfonyl-4-(oxan-2-yloxy)but-2-ynamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C#CCOC2CCCCO2","ZWDSETFGRILOIT-UHFFFAOYSA-N",332723,NA,"PDBC41962","331767","Present",NA,NA
+"41963","N-(4-Methylpiperazin-1-yl)-3-(1-phenylethyl)imidazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Methylpiperazin-1-yl)-3-(1-phenylethyl)imidazole-4-carboxamide",NA,"CC(C1=CC=CC=C1)N2C=NC=C2C(=O)NN3CCN(CC3)C","OPDHBNHWHZEPBM-UHFFFAOYSA-N",379628,NA,"PDBC41963","664337","Present",NA,NA
+"41964","N-(4-Nitrobenzylidene)cyclohexanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C13H16N2O2",NA,"C1CCC(CC1)N=CC2=CC=C(C=C2)[N+](=O)[O-]","GSMPSKWDIFSIAR-UHFFFAOYSA-N",358260,NA,"PDBC41964","618203","Present",NA,NA
+"41965","N-(4-Nitrosonaphthalen-1-yl)hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthochinon-dioxim",NA,"C1=CC=C2C(=C1)C(=CC=C2N=O)NO","NSDRTYGINCDIEJ-UHFFFAOYSA-N",314312,NA,"PDBC41965","231626","Present",NA,NA
+"41966","N-(4-Oxo-2-phenylquinazolin-3(4H)-yl)pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Oxo-2-phenylquinazolin-3(4H)-yl)pyridine-2-carboxamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=CC=N4","WKPWLGIJLAELRI-UHFFFAOYSA-N",376419,NA,"PDBC41966","657333","Present",NA,NA
+"41967","N-(4-Oxo-2-phenylquinazolin-3-yl)-4-(sulfanylmethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Oxo-2-phenylquinazolin-3-yl)-4-(sulfanylmethyl)benzamide",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)CS","KHWLTIZOSUOODO-UHFFFAOYSA-N",376426,NA,"PDBC41967","657340","Present",NA,NA
+"41968","N-(4-Oxo-6-((1,3-thiazol-2-ylamino)sulfonyl)-3(4H)-quinazolinyl)-2-(1,3-thiazol-2-ylamino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Oxo-6-((1,3-thiazol-2-ylamino)sulfonyl)-3(4H)-quinazolinyl)-2-(1,3-thiazol-2-ylamino)acetamide",NA,"C1=CC2=C(C=C1S(=O)(=O)NC3=NC=CS3)C(=O)N(C=N2)NC(=O)CNC4=NC=CS4","TZLBEQSYWLOGRH-UHFFFAOYSA-N",390416,NA,"PDBC41968","687770","Present",NA,NA
+"41969","N-(4-Sulfamoylphenyl)-4-thioureidobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Sulfamoylphenyl)-4-thioureidobenzenesulfonamide",NA,"C1=CC(=CC=C1NC(=S)N)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)N","YJVIZWSOLWXDRJ-UHFFFAOYSA-N",5470838,NA,"PDBC41969","705876","Present",NA,NA
+"41970","N-(4-Tert-Butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)-3-hydroxyphenylalanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Tert-Butoxy-2-((tert-butoxycarbonyl)amino)-4-oxobutanoyl)-3-hydroxyphenylalanine",NA,"CC(C)(C)OC(=O)CC(C(=O)NC(C(C1=CC=CC=C1)O)C(=O)O)NC(=O)OC(C)(C)C","AUSGNBBHNZCEMP-UHFFFAOYSA-N",382294,NA,"PDBC41970","669756","Present",NA,NA
+"41971","N-(4-Tert-butyl-1-ethenylcyclohexyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Tert-butyl-1-ethenylcyclohexyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2(CCC(CC2)C(C)(C)C)C=C","CXNAQJPZCJVJQC-UHFFFAOYSA-N",359233,NA,"PDBC41971","619942","Present",NA,NA
+"41972","N-(4-Tert-butyl-1-ethenylcyclohexyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Tert-butyl-1-ethenylcyclohexyl)benzamide",NA,"CC(C)(C)C1CCC(CC1)(C=C)NC(=O)C2=CC=CC=C2","CRPVCOSJOCCCHR-UHFFFAOYSA-N",359237,NA,"PDBC41972","619946","Present",NA,NA
+"41973","N-(4-Tert-butyl-1-formylcyclohexyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Tert-butyl-1-formylcyclohexyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2(CCC(CC2)C(C)(C)C)C=O","QHFDCNQEZKSQGC-UHFFFAOYSA-N",358272,NA,"PDBC41973","618216","Present",NA,NA
+"41974","N-(4-{(Z)-[2-(4-Chlorophenyl)-5-oxo-1,3-oxazol-4(5H)-ylidene]methyl}phenyl)-N-(2-cyanoethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(Z)-[2-(4-Chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]-N-(2-cyanoethyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)N(CCC#N)C2=CC=C(C=C2)C=C3C(=O)OC(=N3)C4=CC=C(C=C4)Cl","NJNISDAJWQOXRV-QJOMJCCJSA-N",6165104,NA,"PDBC41974","642582","Present",NA,NA
+"41975","N-(4-{[(Dimethyl-lambda~4~-sulfanylidene)amino]sulfonyl}phenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-{[(Dimethyl-lambda~4~-sulfanylidene)amino]sulfonyl}phenyl)acetamide",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=S(C)C","AKXYELYOSMQBDD-UHFFFAOYSA-N",265127,NA,"PDBC41975","100942","Present",NA,NA
+"41976","N-(5,10-Dimethylindolo[2,3-b][1,8]naphthyridin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5,10-Dimethylindolo[2,3-b][1,8]naphthyridin-2-yl)acetamide",NA,"CC1=C2C=CC(=NC2=NC3=C1C4=CC=CC=C4N3C)NC(=O)C","YMINHMSRJLITEX-UHFFFAOYSA-N",387366,NA,"PDBC41976","681118","Present",NA,NA
+"41977","N-(5-(((Dimethylamino)carbothioyl)imino)-4-methyl-1,2,4-dithiazolidin-3-ylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(((Dimethylamino)carbothioyl)imino)-4-methyl-1,2,4-dithiazolidin-3-ylidene)benzenesulfonamide",NA,"CN1C(=NC(=S)N(C)C)SSC1=NS(=O)(=O)C2=CC=CC=C2","SBKWMFIUFUWODE-XSYHWHKQSA-N",9569879,NA,"PDBC41977","622671","Present",NA,NA
+"41978","N-(5-((2,6-Dihydroxy-4-pyrimidinyl)amino)-2-methylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-((2,6-Dihydroxy-4-pyrimidinyl)amino)-2-methylphenyl)acetamide",NA,"CC1=C(C=C(C=C1)NC2=CC(=O)NC(=O)N2)NC(=O)C","IQXXVALDZLENRK-UHFFFAOYSA-N",385852,NA,"PDBC41978","677251","Present",NA,NA
+"41979","N-(5-((2-Anilino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl)methyl)-4-(4-methoxyphenyl)-1,3-thiazol-2-yl)-N-phenylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[[2-Anilino-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine",NA,"COC1=CC=C(C=C1)C2=C(SC(=N2)NC3=CC=CC=C3)CC4=C(N=C(S4)NC5=CC=CC=C5)C6=CC=C(C=C6)OC","IZBGBDMTWVCUTN-UHFFFAOYSA-N",376963,NA,"PDBC41979","658163","Present",NA,NA
+"41980","N-(5-(1H-Benzimidazol-2-yl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-4-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(1H-Benzimidazol-2-yl)-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-4-yl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=C(SC(=S)N2C3=CC=CC=C3)C4=NC5=CC=CC=C5N4","POXQBCXFEVHDMD-UHFFFAOYSA-N",365511,NA,"PDBC41980","633191","Present",NA,NA
+"41981","N-(5-(2,4-Dimethoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(2,4-Dimethoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=C(C=C(C=C3)OC)OC)S2)NC(=O)CC4=CC=CC=C4","IXMBTSQVXBHARS-JLPGSUDCSA-N",5467500,NA,"PDBC41981","653928","Present",NA,NA
+"41982","N-(5-(2-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(2-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC=CC=C3O)S2)NC(=O)CC4=CC=CC=C4","JKXGNUGIDWUJAD-JWGURIENSA-N",5467494,NA,"PDBC41982","653922","Present",NA,NA
+"41983","N-(5-(3-(3,4-Dimethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)-N'-(2-fluorobenzoyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(3-(3,4-Dimethoxyphenyl)acryloyl)-4-methyl-1,3-thiazol-2-yl)-N'-(2-fluorobenzoyl)thiourea",NA,"CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC=CC=C2F)C(=O)C=CC3=CC(=C(C=C3)OC)OC","OTRVKFZHUADVFF-CSKARUKUSA-N",5924770,NA,"PDBC41983","640551","Present",NA,NA
+"41984","N-(5-(3-(Hydroxy(oxido)amino)benzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5Z)-2-(4-Methoxyphenyl)-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])S2)NC(=O)CC4=CC=CC=C4","JNXJZXZGCWSPOU-JCMHNJIXSA-N",5467498,NA,"PDBC41984","653926","Present",NA,NA
+"41985","N-(5-(3-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(3-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)O)S2)NC(=O)CC4=CC=CC=C4","KKTNGNNGKIPZHV-JCMHNJIXSA-N",5467499,NA,"PDBC41985","653927","Present",NA,NA
+"41986","N-(5-(3-Methoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(3-Methoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC)S2)NC(=O)CC4=CC=CC=C4","ATHLWXUWDDTNDL-KQWNVCNZSA-N",5467502,NA,"PDBC41986","653930","Present",NA,NA
+"41987","N-(5-(4-(Hydroxy(oxido)amino)benzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5Z)-2-(4-Methoxyphenyl)-5-[(4-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S2)NC(=O)CC4=CC=CC=C4","WLJPFGZFSLROGT-JCMHNJIXSA-N",5467497,NA,"PDBC41987","653925","Present",NA,NA
+"41988","N-(5-(4-Chlorophenyl)-2,4-pentadienoyl)-N'-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(4-Chlorophenyl)-2,4-pentadienoyl)-N'-cyanoguanidine",NA,"C1=CC(=CC=C1C=CC=CC(=O)NC(=NC#N)N)Cl","XCVDKNVIGXOIHY-ZPUQHVIOSA-N",135408732,NA,"PDBC41988","3627","Present",NA,NA
+"41989","N-(5-(4-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(4-Hydroxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC=C(C=C3)O)S2)NC(=O)CC4=CC=CC=C4","USNKAGHCIDPJNQ-JCMHNJIXSA-N",5467496,NA,"PDBC41989","653924","Present",NA,NA
+"41990","N-(5-(4-Methoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(4-Methoxybenzylidene)-2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl)-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(S2)C3=CC=C(C=C3)OC)NC(=O)CC4=CC=CC=C4","UOWWEDGQVOWKPM-KQWNVCNZSA-N",5467495,NA,"PDBC41990","653923","Present",NA,NA
+"41991","N-(5-(Acetylamino)-2-methoxy-1-methyl-1,6-dihydro-4-pyrimidinyl)pentopyranosylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Methoxy-3-methyl-6-[(3,4,5-trihydroxyoxan-2-yl)amino]-4H-pyrimidin-5-yl]acetamide",NA,"CC(=O)NC1=C(N=C(N(C1)C)OC)NC2C(C(C(CO2)O)O)O","RMKNVDKMSJYFMY-UHFFFAOYSA-N",377200,NA,"PDBC41991","658428","Present",NA,NA
+"41992","N-(5-(Acetylamino)-3,6-dicyano-1,4-dihydro-2-pyrazinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(Acetylamino)-3,6-dicyano-1,4-dihydro-2-pyrazinyl)acetamide",NA,"CC(=O)NC1=C(NC(=N1)C#N)C#N","WNZDAVHXNPEVHT-UHFFFAOYSA-N",385944,NA,"PDBC41992","677416","Present",NA,NA
+"41993","N-(5-(Benzoylamino)-3,6-dicyano-1,4-dihydro-2-pyrazinyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(Benzoylamino)-3,6-dicyano-1,4-dihydro-2-pyrazinyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=C(N=C(N2C(=O)C3=CC=CC=C3)C#N)C#N","ZORMNUDNQAVKKT-UHFFFAOYSA-N",385945,NA,"PDBC41993","677417","Present",NA,NA
+"41994","N-(5-(Hydroxy(oxido)amino)-2-methylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(Hydroxy(oxido)amino)-2-methylphenyl)-3-(3-hydroxy-4-oxo-4H-pyran-2-yl)-2-oxopropanamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)CC2=C(C(=O)C=CO2)O","YBUWCQKKPIQACJ-UHFFFAOYSA-N",371557,NA,"PDBC41994","645886","Present",NA,NA
+"41995","N-(5-(Hydroxy(oxido)amino)-6-quinolinyl)-N-methylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(Hydroxy(oxido)amino)-6-quinolinyl)-N-methylacetamide",NA,"CC(=O)N(C)C1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]","QDFOHFUHFUIQLT-UHFFFAOYSA-N",368564,NA,"PDBC41995","639643","Present",NA,NA
+"41996","N-(5-Acetyl-2-ethoxyphenyl)-3-(2-ethyltetrazol-5-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-acetyl-2-ethoxyphenyl)-3-(2-ethyl-2H-tetrazol-5-yl)...",NA,"CCN1N=C(N=N1)C2=CC(=CC=C2)C(=O)NC3=C(C=CC(=C3)C(=O)C)OCC","JJDIXIAGKIHHRU-UHFFFAOYSA-N",155814815,NA,"PDBC41996","788105","Present",NA,NA
+"41997","N-(5-Amino-1-methyl-2-(methylthio)-6-oxo-1,6-dihydro-4-pyrimidinyl)pentopyranosylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Amino-3-methyl-2-methylsulfanyl-6-[(3,4,5-trihydroxytetrahydropyran-2-yl)amino]pyrimidin-4-one",NA,"CN1C(=O)C(=C(N=C1SC)NC2C(C(C(CO2)O)O)O)N","YHJJABWUPHGAQK-UHFFFAOYSA-N",361525,NA,"PDBC41997","624649","Present",NA,NA
+"41998","N-(5-Amino-1-quinoxalin-2-yl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Amino-1-quinoxalin-2-yl-1,2,4-triazol-3-yl)-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=NC4=CC=CC=C4N=C3","JDXCACKYBVTQAC-UHFFFAOYSA-N",384320,NA,"PDBC41998","674004","Present",NA,NA
+"41999","N-(5-Amino-1H-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Amino-1H-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)N","MKUKUBSCOBAPOO-UHFFFAOYSA-N",378472,NA,"PDBC41999","661072","Present",NA,NA
+"42000","N-(5-Amino-4-cyano-1,3-thiazol-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Amino-4-cyano-1,3-thiazol-2-yl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=NC(=C(S2)N)C#N","NXOBNJJGHUQRSF-UHFFFAOYSA-N",379275,NA,"PDBC42000","663781","Present",NA,NA
+"42001","N-(5-Amino-6-hydroxy-2-(methylthio)-4-pyrimidinyl)pentopyranosylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(5-Amino-6-hydroxy-2-methylsulfanyl-pyrimidin-4-yl)amino]tetrahydropyran-3,4,5-triol",NA,"CSC1=NC(=C(C(=O)N1)N)NC2C(C(C(CO2)O)O)O","TZLFZCHHZJNLME-UHFFFAOYSA-N",135429954,NA,"PDBC42001","624647","Present",NA,NA
+"42002","N-(5-Aminobenzo[a]phenoxazin-9-ylidene)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Aminobenzo[a]phenoxazin-9-ylidene)acetamide",NA,"CC(=O)N=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1","VPKBNFVPXKODST-UHFFFAOYSA-N",435113,NA,"PDBC42002","364163","Present",NA,NA
+"42003","N-(5-Aminooxypentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Aminooxypentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride",NA,"CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCCON)OCCCN)C.Cl","HJOIXHQSCXIPHV-UHFFFAOYSA-N",397938,NA,"PDBC42003","707019","Present",NA,NA
+"42004","N-(5-Aminopentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Aminopentyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride",NA,"CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCCN)OCCCN)C.Cl","RESIDKJSIXHVOW-UHFFFAOYSA-N",396614,NA,"PDBC42004","703117","Present",NA,NA
+"42005","N-(5-Anilino-1H-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Anilino-1H-1,2,4-triazol-3-yl)-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NNC(=N2)NC3=CC=CC=C3","MOGUXFMGDHBSDL-UHFFFAOYSA-N",378473,NA,"PDBC42005","661073","Present",NA,NA
+"42006","N-(5-Benzoylimino-1,2,4-dithiazol-3-yl)benzamide;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Benzoylimino-1,2,4-dithiazol-3-yl)benzamide;hydrobromide",NA,"C1=CC=C(C=C1)C(=O)NC2=NC(=NC(=O)C3=CC=CC=C3)SS2.Br","NAIYYQDBEFVRTB-UHFFFAOYSA-N",360449,NA,"PDBC42006","622585","Present",NA,NA
+"42007","N-(5-Benzyl-4,6-dichloro-2-pyrimidinyl)-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Benzyl-4,6-dichloro-2-pyrimidinyl)-1H-benzimidazol-2-amine",NA,"C1=CC=C(C=C1)CC2=C(N=C(N=C2Cl)NC3=NC4=CC=CC=C4N3)Cl","QMAZZHULTDZAGY-UHFFFAOYSA-N",387151,NA,"PDBC42007","680665","Present",NA,NA
+"42008","N-(5-Carboxy-5-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentyl)-phthalamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Carboxy-5-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentyl)-phthalamic acid",NA,"C1=CC=C(C(=C1)C(=O)NCCCCC(C(=O)O)NC(=O)C2=CC=C(C=C2)NCC3=CN=C4C(=N3)C(=NC(=N4)N)N)C(=O)O","LZWQNHLDOZAEHC-UHFFFAOYSA-N",381234,NA,"PDBC42008","667641","Present",NA,NA
+"42009","N-(5-Chloro-2,4-dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Chloro-2,4-dimethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-amine",NA,"COC1=CC(=C(C=C1NC2=NCCO2)Cl)OC","XMRLGUWAWWKKIU-UHFFFAOYSA-N",379453,NA,"PDBC42009","664003","Present",NA,NA
+"42010","N-(5-Chloro-2-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Chloro-2-hydroxyphenyl)-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide",NA,"C1=CC(=CC=C1CC(=O)NC2=C(C=CC(=C2)Cl)O)NC3=CC(=NC=C3)C(F)(F)F","VEYADXGNJJCAGX-UHFFFAOYSA-N",54612914,NA,"PDBC42010","748705","Present",NA,NA
+"42011","N-(5-Chloro-2-hydroxyphenyl)-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Chloro-2-hydroxyphenyl)-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"C1=CC=C(C(=C1)C(=O)NC2=C(C=CC(=C2)Cl)O)NC3=CC(=NC=C3)C(F)(F)F","ZJZIMQSRCOTZSM-UHFFFAOYSA-N",54613339,NA,"PDBC42011","748710","Present",NA,NA
+"42012","N-(5-Chloro-2-hydroxyphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Chloro-2-hydroxyphenyl)-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"C1=CC(=CC(=C1)NC2=CC(=NC=C2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)Cl)O","RLETXJJKZDULQY-UHFFFAOYSA-N",54613408,NA,"PDBC42012","748713","Present",NA,NA
+"42013","N-(5-Chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Chloro-2-hydroxyphenyl)-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"C1=CC(=CC=C1C(=O)NC2=C(C=CC(=C2)Cl)O)NC3=CC(=NC=C3)C(F)(F)F","GXRCZOKUMMVJAQ-UHFFFAOYSA-N",54613409,NA,"PDBC42013","748714","Present",NA,NA
+"42014","N-(5-Fluoro-9-oxo-fluoren-2-YL)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Fluoro-9-oxo-fluoren-2-YL)acetamide",NA,"CC(=O)NC1=CC2=C(C=C1)C3=C(C2=O)C=CC=C3F","BYWXSAXWZVTROL-UHFFFAOYSA-N",349827,NA,"PDBC42014","409678","Present",NA,NA
+"42015","N-(5-Formyl-1H-benzimidazol-4-yl)-2,2-dimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Formyl-1H-benzimidazol-4-yl)-2,2-dimethylpropanamide",NA,"CC(C)(C)C(=O)NC1=C(C=CC2=C1N=CN2)C=O","LIVXKXYJBOQCSR-UHFFFAOYSA-N",395720,NA,"PDBC42015","700518","Present",NA,NA
+"42016","N-(5-Isoquinolyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-N-isoquinolin-5-yl-5,5-dioxoimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,"C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O","BPBSWQLSCHIIFU-UHFFFAOYSA-N",403249,NA,"PDBC42016","717950","Present",NA,NA
+"42017","N-(5-Methoxynaphthalen-2-yl)-N,2-dimethylthieno[3,2-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-methoxynaphthalen-2-yl)-N,2-dimethylthieno[3,2-d]py...",NA,"CC1=NC2=C(C(=N1)N(C)C3=CC4=C(C=C3)C(=CC=C4)OC)SC=C2","MTHGUBBFWBERGE-UHFFFAOYSA-N",126610876,NA,"PDBC42017","800145","Present",NA,NA
+"42018","N-(5-Methyl-10H-indolo[2,3-b][1,8]naphthyridin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Methyl-10H-indolo[2,3-b][1,8]naphthyridin-2-yl)acetamide",NA,"CC1=C2C=CC(=NC2=NC3=C1C4=CC=CC=C4N3)NC(=O)C","XDNDEHOBFXNQQS-UHFFFAOYSA-N",387365,NA,"PDBC42018","681117","Present",NA,NA
+"42019","N-(5-Phenyl-1,2,4-oxadiazol-3-yl)-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Phenyl-1,2,4-oxadiazol-3-yl)-2-[[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]methyl]benzamide",NA,"C1=CC=C(C=C1)C2=NC(=NO2)NCC3=CC=CC=C3C(=O)NC4=NOC(=N4)C5=CC=CC=C5","LCWVYDJPKIOMNG-UHFFFAOYSA-N",384178,NA,"PDBC42019","673508","Present",NA,NA
+"42020","N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[(pyrrolidine-1-yl)(thiocarbonyl)]thio]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] pyrrolidine-1-carbodithioate",NA,"C1CCN(C1)C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4","CGTJIVDKIZSKBK-UHFFFAOYSA-N",399287,NA,"PDBC42020","709976","Present",NA,NA
+"42021","N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[morpholino(thiocarbonyl)]thio]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] morpholine-4-carbodithioate",NA,"C1COCCN1C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4","CMVGELONSMNLBS-UHFFFAOYSA-N",399285,NA,"PDBC42021","709974","Present",NA,NA
+"42022","N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[morpholino(thiocarbonyl)]thio]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Methyl-2-oxo-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] morpholine-4-carbodithioate",NA,"CC(C(=O)NC1=NN=C(O1)C2=CC=CC=C2)SC(=S)N3CCOCC3","FJJSHCMKYLCZMJ-UHFFFAOYSA-N",399289,NA,"PDBC42022","709978","Present",NA,NA
+"42023","N-(5-Phenyl-1,3,4-oxadiazole-2-yl)-2-[[piperidino(thiocarbonyl)]thio]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Oxo-1-phenyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)amino]ethyl] piperidine-1-carbodithioate",NA,"C1CCN(CC1)C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=CC=C4","FFAWKOIHTNVGLG-UHFFFAOYSA-N",399286,NA,"PDBC42023","709975","Present",NA,NA
+"42024","N-(5-Phenyl-5H-chromeno[4,3-d]pyrimidin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Phenyl-5H-chromeno[4,3-d]pyrimidin-2-yl)acetamide",NA,"CC(=O)NC1=NC=C2C(OC3=CC=CC=C3C2=N1)C4=CC=CC=C4","FFLDHULLIYWEEX-UHFFFAOYSA-N",390593,NA,"PDBC42024","688116","Present",NA,NA
+"42025","N-(5-Phenyl[1,3]thiazolo[2,3-c][1,2,4]thiadiazol-3-ylidene)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-Phenyl[1,3]thiazolo[2,3-c][1,2,4]thiadiazol-3-ylidene)aniline",NA,"C1=CC=C(C=C1)C2=CSC3=NSC(=NC4=CC=CC=C4)N23","UCOCJRGGKDWTKJ-UHFFFAOYSA-N",365525,NA,"PDBC42025","633213","Present",NA,NA
+"42026","N-(5-Piperazin-1-ylpyridin-2-yl)-4-(thieno[2,3-d]pyrimidin-4-ylamino)-1H-pyrazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5-(piperazin-1-yl)pyridin-2-yl)-4-(thieno[2,3-d]pyrim...",NA,"C1CN(CCN1)C2=CN=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C=CSC5=NC=N4","YXAACVQRIBVFBC-UHFFFAOYSA-N",155815576,NA,"PDBC42026","799648","Present",NA,NA
+"42027","N-(5-Sulfamoyl-1,3,4-thiadiazol-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-25666",NA,"C1=CC=C(C=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)N","PMNNJWNEWDGYIV-UHFFFAOYSA-N",394898,NA,"PDBC42027","698990","Present",NA,NA
+"42028","N-(5H-Chromeno[4,3-d]pyrimidin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5H-Chromeno[4,3-d]pyrimidin-2-yl)acetamide",NA,"CC(=O)NC1=NC=C2COC3=CC=CC=C3C2=N1","PLDGGNLICCXHKK-UHFFFAOYSA-N",390592,NA,"PDBC42028","688115","Present",NA,NA
+"42029","N-(6'-Chrysenyl)-4-(1'-piperidinyl)-D-2,4-dicarboximide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6'-Chrysenyl)-4-(1'-piperidinyl)-D-2,3-dioxalono-buta...",NA,"CC1(OC(C(O1)C(=O)N2CCCCC2)C(=O)NC3=CC4=C(C=CC5=CC=CC=C54)C6=CC=CC=C63)C","BTAWMAVYABIPDI-UHFFFAOYSA-N",404330,NA,"PDBC42029","720529","Present",NA,NA
+"42030","N-(6'-Chrysenyl)-4-(1'-piperidinyl)-butane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6'-chrysenyl)-4-(1'-piperidinyl)-butane-1,4-diamine",NA,"C1CCN(CC1)CCCCNC2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52","AGHPKSJNZFUSGI-UHFFFAOYSA-N",9977215,NA,"PDBC42030","729107","Present",NA,NA
+"42031","N-(6,10-Bis((2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)((4-methylphenyl)sulfonyl)amino)-12c-methyl-12cH-4,8,12-trioxadibenzo[cd,mn]pyren-2-yl)-N-(2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[11,17-Bis[2-(1,3-dioxoisoindol-2-yl)ethyl-(4-methylphenyl)sulfonylamino]-1-methyl-8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaen-5-yl]-N-[2-(1,3",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CCN2C(=O)C3=CC=CC=C3C2=O)C4=CC5=C6C(=C4)OC7=CC(=CC8=C7C6(C9=C(O8)C=C(C=C9O5)N(CCN1C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)C1=CC=C(C=C1)C)C)N(CCN1C(=O)C2=CC=CC=C2C1=O)S(=O)(=O)C1=CC=C(C=C1)C","GVMDNIZHNPOALQ-UHFFFAOYSA-N",16129828,NA,"PDBC42031","695174","Present",NA,NA
+"42032","N-(6,7,8,9,10,11-Hexahydro-5H-cycloocta[b]indol-4-yl)formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6,7,8,9,10,11-Hexahydro-5H-cycloocta[b]indol-4-yl)formamide",NA,"C1CCCC2=C(CC1)C3=C(N2)C(=CC=C3)NC=O","HSXZREWLLXMWMN-UHFFFAOYSA-N",362833,NA,"PDBC42032","627203","Present",NA,NA
+"42033","N-(6,7-Dichloro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethyl)formamide;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6,7-Dichloro-1,2,3,4-tetrahydronaphthalen-2-yl)-N-(2-pyrrolidin-1-ylethyl)formamide;hydrobromide",NA,"C1CCN(C1)CCN(C=O)C2CCC3=CC(=C(C=C3C2)Cl)Cl.Br","PXBZKORSPLEQMJ-UHFFFAOYSA-N",398842,NA,"PDBC42033","708980","Present",NA,NA
+"42034","N-(6,7-Dimethoxy-1-methylisoquinolin-3-yl)-4-[(1-ethyl-3-methylpyrazol-4-yl)methylamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6,7-dimethoxy-1-methyl-3-isoquinolyl)-4-[(1-ethyl-3-m...",NA,"CCN1C=C(C(=N1)C)CNC2=CC=C(C=C2)C(=O)NC3=CC4=CC(=C(C=C4C(=N3)C)OC)OC","DZLSFVOKUDZNCQ-UHFFFAOYSA-N",155811860,NA,"PDBC42034","783318","Present",NA,NA
+"42035","N-(6,7-Dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6,7-Dimethoxyquinazolin-4-yl)-1-benzothiophene-2-sulfonamide",NA,"COC1=C(C=C2C(=C1)C(=NC=N2)NS(=O)(=O)C3=CC4=CC=CC=C4S3)OC","QWIIOSAZKCEDQT-UHFFFAOYSA-N",396721,NA,"PDBC42035","703330","Present",NA,NA
+"42036","N-(6-(((3,4-Dichlorophenyl)sulfonyl)amino)-2-oxo-2H-chromen-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-(((3,4-Dichlorophenyl)sulfonyl)amino)-2-oxo-2H-chromen-3-yl)acetamide",NA,"CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3)Cl)Cl)OC1=O","JEDUWQLGKBWCIG-UHFFFAOYSA-N",338565,NA,"PDBC42036","361667","Present",NA,NA
+"42037","N-(6-(Hydroxy(oxido)amino)-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-(4-pyridinyl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Nitro-1,3-benzothiazol-2-yl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)-4-pyridin-4-ylbutanamide",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC=NC=C3)C(=O)C(=O)NC4=NC5=C(S4)C=C(C=C5)[N+](=O)[O-]","IYGRIYUTRPRIDT-UHFFFAOYSA-N",370980,NA,"PDBC42037","644786","Present",NA,NA
+"42038","N-(6-Amino-2-oxochromen-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge3_000341",NA,"CC(=O)NC1=CC2=C(C=CC(=C2)N)OC1=O","LZDJQRLPKGUGHL-UHFFFAOYSA-N",338232,NA,"PDBC42038","359701","Present",NA,NA
+"42039","N-(6-Aminohexyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Aminohexyl)-N-(3-aminopropoxy)-2,2,5,7,8-pentamethyl-3,4-dihydrochromene-6-sulfonamide;hydrochloride",NA,"CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N(CCCCCCN)OCCCN)C.Cl","PDFGEHTVFCTSGC-UHFFFAOYSA-N",396620,NA,"PDBC42039","703120","Present",NA,NA
+"42040","N-(6-Aminohexyl)-N-[3-[6-aminohexyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Aminohexyl)-N-[3-[6-aminohexyl-(2,4,6-trimethylphenyl)sulfonylamino]oxypropoxy]-2,4,6-trimethylbenzenesulfonamide;hydrochloride",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCCCCN)OCCCON(CCCCCCN)S(=O)(=O)C2=C(C=C(C=C2C)C)C)C.Cl","NUZSVIQMMMIAFK-UHFFFAOYSA-N",397944,NA,"PDBC42040","707023","Present",NA,NA
+"42041","N-(6-Bromo-2-isopropoxy-3-methoxybenzylidene)-N-(6,7-dimethoxy-1-naphthyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Bromo-2-isopropoxy-3-methoxybenzylidene)-N-(6,7-dimethoxy-1-naphthyl)amine",NA,"CC(C)OC1=C(C=CC(=C1C=NC2=CC=CC3=CC(=C(C=C32)OC)OC)Br)OC","HWYXBMLVVIZHBQ-UHFFFAOYSA-N",371225,NA,"PDBC42041","645282","Present",NA,NA
+"42042","N-(6-Butyl-7-oxo-5-pentyl-8H-1,8-naphthyridin-2-yl)pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Butyl-7-oxo-5-pentyl-8H-1,8-naphthyridin-2-yl)pentanamide",NA,"CCCCCC1=C(C(=O)NC2=C1C=CC(=N2)NC(=O)CCCC)CCCC","YWJGXQKPPGQLIE-UHFFFAOYSA-N",5470384,NA,"PDBC42042","700540","Present",NA,NA
+"42043","N-(6-Chloro-2-methoxy-9-acridinyl)-N-(2'-((6-chloro-2-methoxy-9-acridinyl)amino)[1,1'-biphenyl]-2-yl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Chloro-N-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]phenyl]-2-methoxyacridin-9-amine",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC=CC=C4C5=CC=CC=C5NC6=C7C=C(C=CC7=NC8=C6C=CC(=C8)Cl)OC","WAONKDINIIPATP-UHFFFAOYSA-N",371158,NA,"PDBC42043","645159","Present",NA,NA
+"42044","N-(6-Chloro-2-methoxyacridin-9-yl)-2-(4-chlorophenyl)sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Chloro-2-methoxyacridin-9-yl)-2-(4-chlorophenyl)sulfanylacetamide",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC(=O)CSC4=CC=C(C=C4)Cl","YVLPZOZBSYHHFX-UHFFFAOYSA-N",224738,NA,"PDBC42044","13468","Present",NA,NA
+"42045","N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-(4-fluorophenyl)butane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-1-(4-fluorophenyl)butane-1,4-diamine",NA,"CCN(CC)CCCC(C1=CC=C(C=C1)F)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC","IUQXIOUBUALYAC-UHFFFAOYSA-N",222439,NA,"PDBC42045","8360","Present",NA,NA
+"42046","N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyloctane-1,8-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyloctane-1,8-diamine",NA,"CCN(CC)CCCCCCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC","UGQUKIBVEBEAQH-UHFFFAOYSA-N",245075,NA,"PDBC42046","56619","Present",NA,NA
+"42047","N-(6-Cyano-7-oxo-8H-1,8-naphthyridin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Cyano-7-oxo-8H-1,8-naphthyridin-2-yl)acetamide",NA,"CC(=O)NC1=NC2=C(C=C1)C=C(C(=O)N2)C#N","PNCILZZYGTYMIV-UHFFFAOYSA-N",5470383,NA,"PDBC42047","700538","Present",NA,NA
+"42048","N-(6-Ethoxy-1,3-benzothiazol-2-yl)-2-(hydroxyimino)-6-(1-hydroxy-3-oxo-3,4-dihydro-2-naphthalenyl)-4-oxo-6-phenylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z)-N-(6-Ethoxy-1,3-benzothiazol-2-yl)-2-hydroxyimino-6-(1-hydroxy-3-oxo-4H-naphthalen-2-yl)-4-oxo-6-phenylhexanamide",NA,"CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=NO)CC(=O)CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5CC4=O)O","LKCZJXYPGIUBTK-NQUVTRGKSA-N",9571370,NA,"PDBC42048","649566","Present",NA,NA
+"42049","N-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Ethoxy-1,3-benzothiazol-2-yl)-3-(hydroxy(oxido)amino)-2-oxo-3-(2-quinoxalinyl)propanamide",NA,"CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3=NC4=CC=CC=C4N=C3)[N+](=O)[O-]","DLUKXIDVIYRRFN-UHFFFAOYSA-N",372892,NA,"PDBC42049","648604","Present",NA,NA
+"42050","N-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Ethoxy-1,3-benzothiazol-2-yl)-4-(2-fluorophenyl)-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC=CC=C5F","ZELWNOUFNSTJBZ-UHFFFAOYSA-N",369259,NA,"PDBC42050","640990","Present",NA,NA
+"42051","N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=C(NC(=S)NC2=O)O","KPSSUDWBZBAXIH-UHFFFAOYSA-N",3781573,NA,"PDBC42051","645845","Present",NA,NA
+"42052","N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)furan-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)furan-2-carboxamide",NA,"C1=COC(=C1)C(=O)NC2=C(NC(=S)NC2=O)O","IWQJMRZFBIFWCQ-UHFFFAOYSA-N",3338852,NA,"PDBC42052","645847","Present",NA,NA
+"42053","N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)pyridine-2-carboxamide",NA,"C1=CC=NC(=C1)C(=O)NC2=C(NC(=S)NC2=O)O","ZOSVFKNOZVUAFZ-UHFFFAOYSA-N",3736078,NA,"PDBC42053","645848","Present",NA,NA
+"42054","N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)quinoline-2-carboxamide",NA,"C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=C(NC(=S)NC3=O)O","DQLPQTPEHKWXIJ-UHFFFAOYSA-N",3274530,NA,"PDBC42054","645849","Present",NA,NA
+"42055","N-(6-Hydroxy-7-(2-hydroxyethyl)-7H-purin-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Hydroxy-7-(2-hydroxyethyl)-7H-purin-2-yl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCO","IPXXHMZAKYXEIO-UHFFFAOYSA-N",135503472,NA,"PDBC42055","637514","Present",NA,NA
+"42056","N-(6-Hydroxy-7-(2-iodoethyl)-7H-purin-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Hydroxy-7-(2-iodoethyl)-7H-purin-2-yl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCI","RLLIWRSGOAQQJP-UHFFFAOYSA-N",135447931,NA,"PDBC42056","637529","Present",NA,NA
+"42057","N-(6-Hydroxyhexyl)-4-acridinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Hydroxyhexyl)-4-acridinecarboxamide",NA,"C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCCCCCO","WGWFFHQBAWNYOA-UHFFFAOYSA-N",393039,NA,"PDBC42057","694317","Present",NA,NA
+"42058","N-(6-Iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))(pheny lamino)formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))(p...",NA,"C1=CC=C(C=C1)NC(=O)NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4","RVBDCVSVRPTYRD-UHFFFAOYSA-N",404778,NA,"PDBC42058","721276","Present",NA,NA
+"42059","N-(6-Iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))-3-oxo butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))-3...",NA,"CC(=O)CC(=O)NN1C(=NC2=C(C1=O)C=C(C=C2)I)C3=CC=CS3","JZKVQELXNJUCSY-UHFFFAOYSA-N",404795,NA,"PDBC42059","721313","Present",NA,NA
+"42060","N-(6-Iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))benzam ide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-iodo-4-oxo-2-(2-thienyl)(3-hydroquinazolin-3-yl))be...",NA,"C1=CC=C(C=C1)C(=O)NN2C(=NC3=C(C2=O)C=C(C=C3)I)C4=CC=CS4","VEHUVWFSCJHDCY-UHFFFAOYSA-N",404716,NA,"PDBC42060","721187","Present",NA,NA
+"42061","N-(6-Methoxy-1,3-benzothiazol-2-yl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Methoxy-1,3-benzothiazol-2-yl)-3,4-bis(4-methoxyphenyl)-2,4-dioxobutanamide",NA,"COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)C(=O)C(=O)NC3=NC4=C(S3)C=C(C=C4)OC","WUQJMVLOYYCXAM-UHFFFAOYSA-N",362274,NA,"PDBC42061","625885","Present",NA,NA
+"42062","N-(6-Methoxy-8-methyl-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Methoxy-8-methyl-2-phenyl-4a,6,7,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-8-yl)acetamide",NA,"CC(=O)NC1(CC(OC2C1OC(OC2)C3=CC=CC=C3)OC)C","IIDBUHOVDWBGLE-UHFFFAOYSA-N",384394,NA,"PDBC42062","674117","Present",NA,NA
+"42063","N-(6-Methyl-1,3-benzothiazol-2-yl)-4-(1-naphthyl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Methyl-1,3-benzothiazol-2-yl)-4-(1-naphthyl)-2,4-dioxobutanamide",NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)CC(=O)C3=CC=CC4=CC=CC=C43","YWSHWGMGQURNPB-UHFFFAOYSA-N",362275,NA,"PDBC42063","625886","Present",NA,NA
+"42064","N-(6-Methyl-1,3-benzothiazol-2-yl)-4-(2-naphthyl)-2,4-dioxo-3-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Methyl-1,3-benzothiazol-2-yl)-4-naphthalen-2-yl-2,4-dioxo-3-(3-oxo-1H-2-benzofuran-1-yl)butanamide",NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)C(C3C4=CC=CC=C4C(=O)O3)C(=O)C5=CC6=CC=CC=C6C=C5","GWGHYOBSEXVFNQ-UHFFFAOYSA-N",369455,NA,"PDBC42064","641225","Present",NA,NA
+"42065","N-(6-Methyl-5-(2-(3,4,5-trimethoxyphenyl)vinyl)-1,2,4-triazin-3-yl)-N'-phenylthiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Methyl-5-(2-(3,4,5-trimethoxyphenyl)vinyl)-1,2,4-triazin-3-yl)-N'-phenylthiourea",NA,"CC1=C(N=C(N=N1)NC(=S)NC2=CC=CC=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC","YMKWPSGAGJIMKZ-ZHACJKMWSA-N",6418039,NA,"PDBC42065","698029","Present",NA,NA
+"42066","N-(6-Nitro-3a,7a-dihydro-1,3-benzothiazol-2-yl)-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Nitro-3a,7a-dihydro-1,3-benzothiazol-2-yl)-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=NC4C=CC(=CC4S3)[N+](=O)[O-]","KAQJRROPBLJEFR-UHFFFAOYSA-N",3000690,NA,"PDBC42066","648624","Present",NA,NA
+"42067","N-(6-Oxo-1,7-dihydropurin-2-yl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Oxo-1,7-dihydropurin-2-yl)hexanamide",NA,"CCCCCC(=O)NC1=NC2=C(C(=O)N1)NC=N2","WBAJLPIFONTDMH-UHFFFAOYSA-N",135455589,NA,"PDBC42067","618273","Present",NA,NA
+"42068","N-(6-Phenyl-1H-indazol-3-yl)cyclopropanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-732941",NA,"C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC=CC=C4","XMBGRSAVBPRZAS-UHFFFAOYSA-N",6539593,NA,"PDBC42068","756471","Present",NA,NA
+"42069","N-(6-Quinolyl)-7-chloro-1,3a-diaza-4,9-dithia-4H-benzo[f]indene-6-carboxamide 4,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Chloro-5,5-dioxo-N-quinolin-6-ylimidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,"C1=CC2=C(C=CC(=C2)NC(=O)C3=CC4=C(C=C3Cl)SC5=NC=CN5S4(=O)=O)N=C1","SSVPHTUBDZILCA-UHFFFAOYSA-N",403248,NA,"PDBC42069","717949","Present",NA,NA
+"42070","N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-(1-piperidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-(1-piperidinyl)acetamide",NA,"C1CCN(CC1)CC(=O)NC2=CC3=C(C=C2)OCC4C3OC5=CC=CC=C5C4","JLVARTZWOQVSMC-UHFFFAOYSA-N",387595,NA,"PDBC42070","681604","Present",NA,NA
+"42071","N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-morpholin-4-yl-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-morpholin-4-yl-acetamide",NA,"C1COCCN1CC(=O)NC2=CC3=C(C=C2)OCC4C3OC5=CC=CC=C5C4","LNSGFDQMAJJFNX-UHFFFAOYSA-N",387596,NA,"PDBC42071","681605","Present",NA,NA
+"42072","N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-pyrrolidin-1-yl-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6a,12a-Dihydro-6H,7H-chromeno[4,3-b]chromen-2-yl)-2-pyrrolidin-1-yl-acetamide",NA,"C1CCN(C1)CC(=O)NC2=CC3=C(C=C2)OCC4C3OC5=CC=CC=C5C4","JTFHWXZWEXRSIO-UHFFFAOYSA-N",387594,NA,"PDBC42072","681603","Present",NA,NA
+"42073","N-(7,10-Dimethylphenothiazin-2-YL)diazenyl-N-methyl-methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-H-17956",NA,"CC1=CC2=C(C=C1)N(C3=C(S2)C=CC(=C3)N=NN(C)C)C","XBJFMQQGZHQXAZ-UHFFFAOYSA-N",331424,NA,"PDBC42073","323768","Present",NA,NA
+"42074","N-(7,8-Dimethyl-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7,8-Dimethyl-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide",NA,"CC1=CC2=C(C=C1C)N=CC(C(=O)N2)NC(=O)C=CC3=CC=CC=C3","AVJOPEFEVYSOOB-CMDGGOBGSA-N",6080447,NA,"PDBC42074","636998","Present",NA,NA
+"42075","N-(7-(2-((2-(2-(Benzoylamino)-6-hydroxy-7H-purin-7-yl)ethyl)amino)ethyl)-6-hydroxy-7H-purin-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[7-[2-[2-(2-Benzamido-6-oxo-1H-purin-7-yl)ethylamino]ethyl]-6-oxo-1H-purin-2-yl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCNCCN4C=NC5=C4C(=O)NC(=N5)NC(=O)C6=CC=CC=C6","YNUXYTTVCZRFEC-UHFFFAOYSA-N",135500698,NA,"PDBC42075","639792","Present",NA,NA
+"42076","N-(7-(2-(Benzylamino)ethyl)-6-hydroxy-7H-purin-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-(2-(Benzylamino)ethyl)-6-hydroxy-7H-purin-2-yl)benzamide",NA,"C1=CC=C(C=C1)CNCCN2C=NC3=C2C(=O)NC(=N3)NC(=O)C4=CC=CC=C4","IIQTZMKGSDJRQJ-UHFFFAOYSA-N",135503474,NA,"PDBC42076","637518","Present",NA,NA
+"42077","N-(7-(2-Hydroxyethyl)-6-mercapto-7H-purin-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-(2-Hydroxyethyl)-6-mercapto-7H-purin-2-yl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=NC(=S)C3=C(N2)N=CN3CCO","SAPDTSFXSIZLEC-UHFFFAOYSA-N",3004227,NA,"PDBC42077","637517","Present",NA,NA
+"42078","N-(7-Benzyl-6,8-dibromo-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-benzyl-6,8-dibromo-5,7-dihydro-4H-[1,3]thiazolo[4,5...",NA,"C1CC2=C(C3=C(N(C(=C31)Br)CC4=CC=CC=C4)Br)N=C(S2)NC(=O)C5=CC=CC=C5","RHBIESXAZAZEFB-UHFFFAOYSA-N",155806801,NA,"PDBC42078","766953","Present",NA,NA
+"42079","N-(7-Chloro-2-oxochromen-6-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-Chloro-2-oxochromen-6-yl)acetamide",NA,"CC(=O)NC1=C(C=C2C(=C1)C=CC(=O)O2)Cl","YFYXXFLVJSKLQH-UHFFFAOYSA-N",255626,NA,"PDBC42079","81308","Present",NA,NA
+"42080","N-(7-Chloro-3-methoxyphenazin-1-yl)-N',N'-diethylpropane-1,3-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-Chloro-3-methoxyphenazin-1-yl)-N',N'-diethylpropane-1,3-diamine;hydrochloride",NA,"CCN(CC)CCCNC1=CC(=CC2=NC3=C(C=CC(=C3)Cl)N=C12)OC.Cl","BFLZFIKKOWKPCI-UHFFFAOYSA-N",24184086,NA,"PDBC42080","32930","Present",NA,NA
+"42081","N-(7-Chloro-3-methylquinolin-4-yl)-2-(4-chlorophenyl)-N',N'-diethylbutane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-Chloro-3-methylquinolin-4-yl)-2-(4-chlorophenyl)-N',N'-diethylbutane-1,4-diamine",NA,"CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1C)Cl)C3=CC=C(C=C3)Cl","BEHRYSUQMOVSKT-UHFFFAOYSA-N",224873,NA,"PDBC42081","13724","Present",NA,NA
+"42082","N-(7-Chloroquinolin-4-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-Chloroquinolin-4-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine",NA,"CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=CC=C3","MTCDAAIAIIMJHW-UHFFFAOYSA-N",222939,NA,"PDBC42082","10037","Present",NA,NA
+"42083","N-(7-Chloroquinolin-4-yl)-N'-(2-pyrrolidin-1-ylquinazolin-4-yl)ethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(7-chloroquinolin-4-yl)-N2-(2-(pyrrolidin-1-yl)quinaz...",NA,"C1CCN(C1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","JWSXGMYFPQISND-UHFFFAOYSA-N",71735316,NA,"PDBC42083","790651","Present",NA,NA
+"42084","N-(7-Chloroquinolin-4-yl)-N'-(4,6-diphenylpyrimidin-2-yl)ethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(7-chloroquinolin-4-yl)-N2-(4,6-diphenylpyrimidin-2-y...",NA,"C1=CC=C(C=C1)C2=CC(=NC(=N2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=CC=C5","MKVJZESQEASLIK-UHFFFAOYSA-N",155811925,NA,"PDBC42084","794149","Present",NA,NA
+"42085","N-(7-Chloroquinolin-4-yl)-N'-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]ethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(7-chloroquinolin-4-yl)-N2-(2-(4-methylpiperazin-1-yl...",NA,"CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","QPWBWUHVGPLLMY-UHFFFAOYSA-N",117827472,NA,"PDBC42085","790652","Present",NA,NA
+"42086","N-(7-Hydroxy-6-methyl[1,8]naphthyridin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-Hydroxy-6-methyl[1,8]naphthyridin-2-yl)acetamide",NA,"CC1=CC2=C(NC1=O)N=C(C=C2)NC(=O)C","ZIWLKNUBRMVQGN-UHFFFAOYSA-N",5466190,NA,"PDBC42086","680475","Present",NA,NA
+"42087","N-(7-Hydroxy[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-Hydroxy[1,3]thiazolo[5,4-d]pyrimidin-2-yl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)N=CNC3=O","CBEIXCAXMNUYQC-UHFFFAOYSA-N",381117,NA,"PDBC42087","667379","Present",NA,NA
+"42088","N-(7-Methoxy-3-methyl-3-methylsulfanyl-4-nitro-2-oxo-1H-indol-5-yl)-N-prop-2-enylmethanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-Methoxy-3-methyl-3-methylsulfanyl-4-nitro-2-oxo-1H-indol-5-yl)-N-prop-2-enylmethanesulfonamide",NA,"CC1(C2=C(C(=CC(=C2NC1=O)OC)N(CC=C)S(=O)(=O)C)[N+](=O)[O-])SC","MKPOUINJSVZUHL-UHFFFAOYSA-N",393306,NA,"PDBC42088","694971","Present",NA,NA
+"42089","N-(7-Methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-Methoxy-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-yl)acetamide",NA,"CC(=O)NC1=C(C(=O)C2=C(C1=O)N=C3N2CCC3)OC","ZDIJAIYHGMGCFC-UHFFFAOYSA-N",374654,NA,"PDBC42089","652730","Present",NA,NA
+"42090","N-(7-Methoxy-5-quinoxalinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-Methoxy-5-quinoxalinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CC3=NC=CN=C23)OC","VSLTWIBKZONEPS-UHFFFAOYSA-N",343866,NA,"PDBC42090","400399","Present",NA,NA
+"42091","N-(7-Propionyl-7H-purin-6-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-Propionyl-7H-purin-6-yl)propanamide",NA,"CCC(=O)NC1=NC=NC2=C1N(C=N2)C(=O)CC","NQDRLFVRKRJOEV-UHFFFAOYSA-N",240782,NA,"PDBC42091","47455","Present",NA,NA
+"42092","N-(8-(Hydroxy(oxido)amino)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(8-(Hydroxy(oxido)amino)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-3-phenylacrylamide",NA,"C1=CC=C(C=C1)C=CC(=O)NC2C=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O","GFRDFQRMERFAFB-RMKNXTFCSA-N",5388449,NA,"PDBC42092","636378","Present",NA,NA
+"42093","N-(8-Acetamido-6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(8-Acetamido-6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)acetamide",NA,"CC1=CC(=C(C2=C1NC3=C2C=C(C=C3NC(=O)C)OC)C)NC(=O)C","OFMXWGJZUZJJPJ-UHFFFAOYSA-N",374129,NA,"PDBC42093","651556","Present",NA,NA
+"42094","N-(8-Chloro-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-2-(2-chlorophenyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(8-Chloro-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-3-yl)-2-(2-chlorophenyl)-2-phenylacetamide",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2Cl)C(=O)NC3C=NC4=C(C=C(C=C4)Cl)NC3=O","MQLJQWXJBSGWQS-UHFFFAOYSA-N",367240,NA,"PDBC42094","636783","Present",NA,NA
+"42095","N-(8-Chloro-6-oxo-5H-phenanthridin-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(8-Chloro-6-oxo-5H-phenanthridin-3-yl)acetamide",NA,"CC(=O)NC1=CC2=C(C=C1)C3=C(C=C(C=C3)Cl)C(=O)N2","TVYRCWHYMBTFNX-UHFFFAOYSA-N",274963,NA,"PDBC42095","121322","Present",NA,NA
+"42096","N-(9-Acetyl-6-benzylsulfanylpurin-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9-Acetyl-6-benzylsulfanylpurin-2-yl)acetamide",NA,"CC(=O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C(=O)C","NSMQOVIQCRKCFK-UHFFFAOYSA-N",243470,NA,"PDBC42096","53340","Present",NA,NA
+"42097","N-(9-Acridinyl)-3,4,5-trimethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/CU8703300",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)NC2=C3C=CC=CC3=NC4=CC=CC=C42","FXGZNGNURBHEEG-UHFFFAOYSA-N",383382,NA,"PDBC42097","671552","Present",NA,NA
+"42098","N-(9-Acridinyl)-N,N'-dimethylimidoformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9-Acridinyl)-N,N'-dimethylimidoformamide",NA,"CN=CN(C)C1=C2C=CC=CC2=NC3=CC=CC=C31","KOPJRLPEECYILE-UHFFFAOYSA-N",379823,NA,"PDBC42098","664953","Present",NA,NA
+"42099","N-(9-Acridinyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(acridin-9-ylamino)-3-sulfanylpropanoic acid",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CS)C(=O)O","DQGKFIHXOFMATO-UHFFFAOYSA-N",363149,NA,"PDBC42099","627733","Present",NA,NA
+"42100","N-(9-Acridinylmethyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9-Acridinylmethyl)cysteine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CNC(CS)C(=O)O","MLJHHZSNUIJOAR-UHFFFAOYSA-N",363153,NA,"PDBC42100","627739","Present",NA,NA
+"42101","N-(9-Acridinylmethyl)valine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9-Acridinylmethyl)valine",NA,"CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=NC3=CC=CC=C31","AZNTXKHUUUAGRH-UHFFFAOYSA-N",363152,NA,"PDBC42101","627738","Present",NA,NA
+"42102","N-(9-Acridinylmethylene)-4-ethoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9-Acridinylmethylene)-4-ethoxyaniline",NA,"CCOC1=CC=C(C=C1)N=CC2=C3C=CC=CC3=NC4=CC=CC=C42","MGZADRFESIEWRI-UHFFFAOYSA-N",364426,NA,"PDBC42102","630686","Present",NA,NA
+"42103","N-(9-Anthracenylmethylene)-2-ethoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9-Anthracenylmethylene)-2-ethoxyaniline",NA,"CCOC1=CC=CC=C1N=CC2=C3C=CC=CC3=CC4=CC=CC=C42","ZSFUUFJQEOHQFO-UHFFFAOYSA-N",328738,NA,"PDBC42103","308811","Present",NA,NA
+"42104","N-(9-Anthrylmethyl)-N-methyl-4-[(5Z,10Z,14Z,19Z)-10,15,20-tris[4-[9-anthrylmethyl(methyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Anthracen-9-ylmethyl)-N-methyl-4-[10,15,20-tris[4-[anthracen-9-ylmethyl(methyl)sulfamoyl]phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide",NA,"CN(CC1=C2C=CC=CC2=CC3=CC=CC=C31)S(=O)(=O)C4=CC=C(C=C4)C5=C6C=CC(=C(C7=NC(=C(C8=CC=C(N8)C(=C9C=CC5=N9)C1=CC=C(C=C1)S(=O)(=O)N(C)CC1=C2C=CC=CC2=CC2=CC=CC=C21)C1=CC=C(C=C1)S(=O)(=O)N(C)CC1=C2C=CC=CC2=CC2=CC=CC=C21)C=C7)C1=CC=C(C=C1)S(=O)(=O)N(C)CC1=C2C=CC=CC2=CC2=CC=CC=C21)N6","DRQONGDUDDSJTD-UHFFFAOYSA-N",16129818,NA,"PDBC42104","681458","Present",NA,NA
+"42105","N-(9-Ethylcarbazol-3-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9-Ethylcarbazol-3-yl)-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,"CCN1C2=C(C=C(C=C2)NC(=O)C3=C(NC(=O)NC3=S)C)C4=CC=CC=C41","UXWLQXZBZXAXQF-UHFFFAOYSA-N",3726365,NA,"PDBC42105","671852","Present",NA,NA
+"42106","N-(9-Ethylpurin-6-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9-Ethylpurin-6-yl)acetamide",NA,"CCN1C=NC2=C(N=CN=C21)NC(=O)C","IFNRWVWGORSDDJ-UHFFFAOYSA-N",390720,NA,"PDBC42106","688362","Present",NA,NA
+"42107","N-(9-Oxo-2-fluorenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: l b656 hvj emv1",NA,"CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=O","PYGNVSDRIIPHQP-UHFFFAOYSA-N",18355,NA,"PDBC42107","12369","Present",NA,NA
+"42108","N-(9-Oxo-9H-thiochromeno[3,2-d][1,3]thiazol-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9-Oxo-9H-thiochromeno[3,2-d][1,3]thiazol-2-yl)acetamide",NA,"CC(=O)NC1=NC2=C(S1)SC3=CC=CC=C3C2=O","AIAHJCHUVPXPAD-UHFFFAOYSA-N",391250,NA,"PDBC42108","690147","Present",NA,NA
+"42109","N-(9H-Carbazol-3-yl)-2-chlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9H-Carbazol-3-yl)-2-chlorobenzamide",NA,"C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=CC=C4Cl","SSHWWXLYKNRZGV-UHFFFAOYSA-N",332432,NA,"PDBC42109","329252","Present",NA,NA
+"42110","N-(9H-Carbazol-9-ylcarbonyl)serine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9H-Carbazol-9-ylcarbonyl)serine",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3N2C(=O)NC(CO)C(=O)O","SLYKZTXVGHQPBU-UHFFFAOYSA-N",373099,NA,"PDBC42110","649030","Present",NA,NA
+"42111","N-(9H-Fluoren-2-yl)-1-pyridin-2-ylmethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-Pyridinylmethylene)-9H-fluoren-2-amine",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)N=CC4=CC=CC=N4","MWQRCJCBHFELLF-UHFFFAOYSA-N",225630,NA,"PDBC42111","15226","Present",NA,NA
+"42112","N-(Acetoacetyloxy)-N-methyl-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Acetoacetyloxy)-N-methyl-2-phenylacetamide",NA,"CC(=O)CC(=O)ON(C)C(=O)CC1=CC=CC=C1","BSJUXEYFLLOZFO-UHFFFAOYSA-N",371722,NA,"PDBC42112","646171","Present",NA,NA
+"42113","N-(Acetoacetyloxy)-N-methylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Acetoacetyloxy)-N-methylacetamide",NA,"CC(=O)CC(=O)ON(C)C(=O)C","PBKPHCRWJUKVKM-UHFFFAOYSA-N",371719,NA,"PDBC42113","646168","Present",NA,NA
+"42114","N-(Acetyl(trichloromethyl)sulfinimidoyl)-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[N-Acetyl-S-(trichloromethyl)sulfinimidoyl]-4-methyl-benzamide",NA,"CC1=CC=C(C=C1)C(=O)NS(=NC(=O)C)C(Cl)(Cl)Cl","NGBCICVEPBKRJQ-UHFFFAOYSA-N",376814,NA,"PDBC42114","657931","Present",NA,NA
+"42115","N-(Allyloxy)-4-chlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Allyloxy)-4-chlorobenzamide",NA,"C=CCONC(=O)C1=CC=C(C=C1)Cl","XTTNZKZAYWTOQF-UHFFFAOYSA-N",368367,NA,"PDBC42115","639227","Present",NA,NA
+"42116","N-(Anilino(chloro(difluoro)methyl)-lambda~4~-sulfanylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Anilino(chloro(difluoro)methyl)-lambda~4~-sulfanylidene)benzenesulfonamide",NA,"C1=CC=C(C=C1)NS(=NS(=O)(=O)C2=CC=CC=C2)C(F)(F)Cl","BQIDHSHTPANPEK-UHFFFAOYSA-N",6101993,NA,"PDBC42116","657929","Present",NA,NA
+"42117","N-(Anilino(dichloromethyl)-lambda~4~-sulfanylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Anilino(dichloromethyl)-lambda~4~-sulfanylidene)benzenesulfonamide",NA,"C1=CC=C(C=C1)NS(=NS(=O)(=O)C2=CC=CC=C2)C(Cl)Cl","UGOZXDJQLDZVAJ-UHFFFAOYSA-N",6069847,NA,"PDBC42117","657928","Present",NA,NA
+"42118","N-(Benzenesulfonyl)-2-methylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Isobutyrylbenzenesulfonamide",NA,"CC(C)C(=O)NS(=O)(=O)C1=CC=CC=C1","YWYSZMYFYSMUOM-UHFFFAOYSA-N",357768,NA,"PDBC42118","617291","Present",NA,NA
+"42119","N-(Benzenesulfonyl)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P-4225",NA,"C1=CC=C(C=C1)CC(=O)NS(=O)(=O)C2=CC=CC=C2","QIDBVSWICYZCSP-UHFFFAOYSA-N",357766,NA,"PDBC42119","617289","Present",NA,NA
+"42120","N-(Benzenesulfonyl)-3-methylbutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzenesulfonyl)-3-methylbutanamide",NA,"CC(C)CC(=O)NS(=O)(=O)C1=CC=CC=C1","FAYBSXAGJKBJMN-UHFFFAOYSA-N",357769,NA,"PDBC42120","617292","Present",NA,NA
+"42121","N-(Benzenesulfonyl)-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzenesulfonyl)-3-phenylpropanamide",NA,"C1=CC=C(C=C1)CCC(=O)NS(=O)(=O)C2=CC=CC=C2","OXDPYOBJCCTYAF-UHFFFAOYSA-N",357767,NA,"PDBC42121","617290","Present",NA,NA
+"42122","N-(Benzenesulfonyl)-4-phenyl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzenesulfonyl)-4-phenyl-N-(thiophene-2-carbonyl)piperazine-1-carboxamide",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)N(C(=O)C3=CC=CS3)S(=O)(=O)C4=CC=CC=C4","BGCGRWUOUKEQKV-UHFFFAOYSA-N",401350,NA,"PDBC42122","714662","Present",NA,NA
+"42123","N-(Benzenesulfonyl)-N-(2-phenoxyacetyl)-4-phenylpiperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzenesulfonyl)-N-(2-phenoxyacetyl)-4-phenylpiperazine-1-carboxamide",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)N(C(=O)COC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","UGDYGBWAXDXZIP-UHFFFAOYSA-N",401342,NA,"PDBC42123","714654","Present",NA,NA
+"42124","N-(Benzenesulfonyl)-N-(3,4-dichlorobenzoyl)-4-phenylpiperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzenesulfonyl)-N-(3,4-dichlorobenzoyl)-4-phenylpiperazine-1-carboxamide",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)N(C(=O)C3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)C4=CC=CC=C4","GKSPPUFMADWUSN-UHFFFAOYSA-N",401347,NA,"PDBC42124","714659","Present",NA,NA
+"42125","N-(Benzenesulfonyl)-N-(4-methoxybenzoyl)-4-phenylpiperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzenesulfonyl)-N-(4-methoxybenzoyl)-4-phenylpiperazine-1-carboxamide",NA,"COC1=CC=C(C=C1)C(=O)N(C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","PURZCXLTSCCYBO-UHFFFAOYSA-N",401348,NA,"PDBC42125","714660","Present",NA,NA
+"42126","N-(Benzenesulfonyl)-N-(furan-2-carbonyl)-4-phenylpiperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzenesulfonyl)-N-(furan-2-carbonyl)-4-phenylpiperazine-1-carboxamide",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)N(C(=O)C3=CC=CO3)S(=O)(=O)C4=CC=CC=C4","YIUYIQVLJOFKOY-UHFFFAOYSA-N",401349,NA,"PDBC42126","714661","Present",NA,NA
+"42127","N-(Benzenesulfonyl)-N-[1-(4-chlorophenyl)cyclopentanecarbonyl]-4-phenylpiperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzenesulfonyl)-N-[1-(4-chlorophenyl)cyclopentanecarbonyl]-4-phenylpiperazine-1-carboxamide",NA,"C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)N(C(=O)N3CCN(CC3)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5","WWSMVECBAJPWFN-UHFFFAOYSA-N",401344,NA,"PDBC42127","714656","Present",NA,NA
+"42128","N-(Benzenesulfonyl)-N-[2-(4-chlorophenyl)-2-methylpropanoyl]-4-phenylpiperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzenesulfonyl)-N-[2-(4-chlorophenyl)-2-methylpropanoyl]-4-phenylpiperazine-1-carboxamide",NA,"CC(C)(C1=CC=C(C=C1)Cl)C(=O)N(C(=O)N2CCN(CC2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4","APRDUVBRBMRADN-UHFFFAOYSA-N",401343,NA,"PDBC42128","714655","Present",NA,NA
+"42129","N-(Benzenesulfonyl)undec-10-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzenesulfonyl)undec-10-enamide",NA,"C=CCCCCCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1","SPURRCOTHMJSKZ-UHFFFAOYSA-N",357765,NA,"PDBC42129","617288","Present",NA,NA
+"42130","N-(Benzimidazolo[2,1-a]isoquinolin-10-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzimidazolo[2,1-a]isoquinolin-10-yl)acetamide",NA,"CC(=O)NC1=CC2=C(C=C1)N3C=CC4=CC=CC=C4C3=N2","QWXPJFYLVPIYDS-UHFFFAOYSA-N",392526,NA,"PDBC42130","693042","Present",NA,NA
+"42131","N-(Benzo[b][1,6]naphthyridin-2(1H)-ylmethylene)-2-methyl-2-propanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzo[b][1,6]naphthyridin-2(1H)-ylmethylene)-2-methyl-2-propanamine",NA,"CC(C)(C)N=CN1CC2=CC3=CC=CC=C3N=C2C=C1","GXZBPILOHKUPCE-UHFFFAOYSA-N",370799,NA,"PDBC42131","644321","Present",NA,NA
+"42132","N-(Benzo[d]thiazol-2-yl)-2-(4-((3-oxobenzofuran-2(3H)-ylidene)methyl)phenoxy)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(benzo[d]thiazol-2-yl)-2-(4-((3-oxobenzofuran-2(3H)-yl...",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=CC=C(C=C3)OCC(=O)NC4=NC5=CC=CC=C5S4)O2","LXNRSDAASSXVSM-MOSHPQCFSA-N",45028625,NA,"PDBC42132","743506","Present",NA,NA
+"42133","N-(Benzyl(4-methylphenyl)-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzyl(4-methylphenyl)-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3","HZJNRIDKGGZROP-UHFFFAOYSA-N",6101991,NA,"PDBC42133","655044","Present",NA,NA
+"42134","N-(Benzylcarbamoylcarbamoyl)-2-iodoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781776",NA,"C1=CC=C(C=C1)CNC(=O)NC(=O)NC(=O)CI","HEKCGYLJYUPHAH-UHFFFAOYSA-N",155813830,NA,"PDBC42134","781776","Present",NA,NA
+"42135","N-(Benzyloxy)-4-(hexyloxy)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Benzyloxy)-4-(hexyloxy)benzamide",NA,"CCCCCCOC1=CC=C(C=C1)C(=O)NOCC2=CC=CC=C2","UHPVWQUTZDTIKG-UHFFFAOYSA-N",392405,NA,"PDBC42135","692769","Present",NA,NA
+"42136","N-(Bis(4-chlorophenyl)-lambda~4~-sulfanylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Bis(4-chlorophenyl)-lambda~4~-sulfanylidene)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)N=S(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl","NMIZMYYFBFFXGK-UHFFFAOYSA-N",375371,NA,"PDBC42136","655037","Present",NA,NA
+"42137","N-(Bis(4-methylphenyl)-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Bis(4-methylphenyl)-lambda~4~-sulfanylidene)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=C(C=C2)C)C3=CC=C(C=C3)C","ALULNSRMFBKGSR-UHFFFAOYSA-N",375374,NA,"PDBC42137","655042","Present",NA,NA
+"42138","N-(Cyanomethyl)-2-diazo-3-oxo-butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(Cyanomethyl)amino]-2-diazonio-3-oxobut-1-en-1-olate",NA,"CC(=O)C(=[N+]=[N-])C(=O)NCC#N","DTGFTVZXEQQXNW-UHFFFAOYSA-N",379180,NA,"PDBC42138","663589","Present",NA,NA
+"42139","N-(Cyanomethyl)-N-methyl-2-(4-nitrophenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Cyanomethyl)-N-methyl-2-(4-nitrophenyl)acetamide",NA,"CN(CC#N)C(=O)CC1=CC=C(C=C1)[N+](=O)[O-]","MMUJGBDMOKGPKT-UHFFFAOYSA-N",379171,NA,"PDBC42139","663583","Present",NA,NA
+"42140","N-(Di(1H-imidazol-1-yl)methylene)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Di(1H-imidazol-1-yl)methylene)methanamine",NA,"CN=C(N1C=CN=C1)N2C=CN=C2","BQUMWQFEOFCARW-UHFFFAOYSA-N",391927,NA,"PDBC42140","691607","Present",NA,NA
+"42141","N-(Diaminomethylidene)-4-pyridin-4-ylpiperazine-1-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772466",NA,"C1CN(CCN1C2=CC=NC=C2)C(=N)N=C(N)N","MDMYWZSQPXWSIP-UHFFFAOYSA-N",155814617,NA,"PDBC42141","772466","Present",NA,NA
+"42142","N-(Dichlorophosphino)-N-[3,5-bis(trifluoromethyl)phenyl]-5H-dibenzo[a,d]cycloheptene-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Bis(trifluoromethyl)phenyl]-N-dichlorophosphanyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine",NA,"C1=CC=C2C(C3=CC=CC=C3C=CC2=C1)N(C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)P(Cl)Cl","JYHKXFTUBINQOT-UHFFFAOYSA-N",402140,NA,"PDBC42142","716000","Present",NA,NA
+"42143","N-(Diphenyl-lambda~4~-sulfanylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Diphenyl-lambda~4~-sulfanylidene)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=NS(=O)(=O)C2=CC=CC=C2)C3=CC=CC=C3","ZIXBXNGUYOHJKI-UHFFFAOYSA-N",375376,NA,"PDBC42143","655045","Present",NA,NA
+"42144","N-(Dipyridin-2-ylmethylideneamino)-1,3-benzoxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Dipyridin-2-ylmethylideneamino)-1,3-benzoxazol-2-amine",NA,"C1=CC=C2C(=C1)N=C(O2)NN=C(C3=CC=CC=N3)C4=CC=CC=N4","KSUHGVVTBOMMPD-UHFFFAOYSA-N",404079,NA,"PDBC42144","720200","Present",NA,NA
+"42145","N-(Dipyridin-2-ylmethylideneamino)-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-(Dipyridin-2-ylmethylidene)hydrazino]-1h-benzimidazole",NA,"C1=CC=C2C(=C1)NC(=N2)NN=C(C3=CC=CC=N3)C4=CC=CC=N4","VBLGTIKLKDZKOZ-UHFFFAOYSA-N",404076,NA,"PDBC42145","720195","Present",NA,NA
+"42146","N-(Ethoxy(2-(hydroxy(oxido)amino)phenyl)-lambda~4~-sulfanylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Ethoxy(2-(hydroxy(oxido)amino)phenyl)-lambda~4~-sulfanylidene)benzenesulfonamide",NA,"CCOS(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2[N+](=O)[O-]","IDSJEWSVNHJGPN-UHFFFAOYSA-N",6101988,NA,"PDBC42146","648481","Present",NA,NA
+"42147","N-(Ethoxyacetyl)deacetylthiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17-ethoxy-10-thiocolchicine",NA,"CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","FQTHLSCRBAIBIC-KRWDZBQOSA-N",84078,NA,"PDBC42147","372485","Present",NA,NA
+"42148","N-(Ethylphenylcarbamoyl)-L-Leu-Gly-OMe",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688369",NA,"CCN(C1=CC=CC=C1)C(=O)NC(CC(C)C)C(=O)NCC(=O)OC","PSFAJABLRGZKFW-HNNXBMFYSA-N",390727,NA,"PDBC42148","688369","Present",NA,NA
+"42149","N-(Ethylphenylcarbamoyl)-L-Val-L-Ala-OMe",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688367",NA,"CCN(C1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)OC","MFBPWFJTYVWCOR-ZFWWWQNUSA-N",5469457,NA,"PDBC42149","688367","Present",NA,NA
+"42150","N-(Ethylphenylthiocarbamoyl)-L-Phe-L-Leu-OMe",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688372",NA,"CCN(C1=CC=CC=C1)C(=S)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)OC","LHMMGCIZYUBKOO-VXKWHMMOSA-N",5469459,NA,"PDBC42150","688372","Present",NA,NA
+"42151","N-(Fluoren-9-ylideneamino)-3,4,5-trimethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Fluoren-9-ylideneamino)-3,4,5-trimethoxybenzamide",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)NN=C2C3=CC=CC=C3C4=CC=CC=C42","MXJCYBCMOGMSEC-UHFFFAOYSA-N",332453,NA,"PDBC42151","329273","Present",NA,NA
+"42152","N-(Formyldeacetyl)thiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-formyldeacetylthiocolchicine",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC=O)OC)OC","QWMGUEXZTDFFTR-UHFFFAOYSA-N",341279,NA,"PDBC42152","373031","Present",NA,NA
+"42153","N-(Furan-2-carbonyl)-N-phenylpiperidine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2843-0138",NA,"C1CCN(CC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=CC=CO3","FUOJVSYVIQYHJP-UHFFFAOYSA-N",391217,NA,"PDBC42153","690114","Present",NA,NA
+"42154","N-(Furan-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[[(2-FURANYL)METHYL]AMINO]-1H-PYRAZOLO[3,4-D]PYRIMIDINE",NA,"C1=COC(=C1)CNC2=NC=NC3=C2C=NN3","KWGOKOFSPBXMSX-UHFFFAOYSA-N",219840,NA,"PDBC42154","1620","Present",NA,NA
+"42155","N-(Imidazol-1-ylmethyl)-N-methyl-1-phenylmethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzyl-imidazol-1-ylmethyl-methyl-amine",NA,"CN(CC1=CC=CC=C1)CN2C=CN=C2","FQKLSTBZMJQKIB-UHFFFAOYSA-N",272244,NA,"PDBC42155","116532","Present",NA,NA
+"42156","N-(Imino(1-piperidinyl)methyl)-1-piperidinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(piperidine-1-carboximidoyl)piperidine-1-carbothioamide",NA,"C1CCN(CC1)C(=NC(=S)N2CCCCC2)N","DZWLSYYQJOCSEI-UHFFFAOYSA-N",9569882,NA,"PDBC42156","622676","Present",NA,NA
+"42157","N-(Indol-1-ylmethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Indol-1-ylmethyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NCN2C=CC3=CC=CC=C32","AACLVKFPOICBRZ-UHFFFAOYSA-N",357876,NA,"PDBC42157","617410","Present",NA,NA
+"42158","N-(Isopropylideneamino)-6-nitro-cinnolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Nitro-4-[2-(propan-2-ylidene)hydrazinyl]cinnoline",NA,"CC(=NNC1=CN=NC2=C1C=C(C=C2)[N+](=O)[O-])C","KXGLYSCVSAHRQN-UHFFFAOYSA-N",387075,NA,"PDBC42158","680465","Present",NA,NA
+"42159","N-(Naphthalen-1-ylmethyl)-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Naphthalen-1-ylmethyl)-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine",NA,"C1=CC=C(C=C1)N2C(=NCC3=CC=CC4=CC=CC=C43)NC5=C(S2(=O)=O)C=NC=C5","RWHMXTBQLHCYTM-UHFFFAOYSA-N",135426615,NA,"PDBC42159","704082","Present",NA,NA
+"42160","N-(Naphthalen-2-ylmethyl)-2-[2-[2-(naphthalen-2-ylmethylamino)ethoxy]ethoxy]ethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Naphthalen-2-ylmethyl)-2-[2-[2-(naphthalen-2-ylmethylamino)ethoxy]ethoxy]ethanamine;hydrochloride",NA,"C1=CC=C2C=C(C=CC2=C1)CNCCOCCOCCNCC3=CC4=CC=CC=C4C=C3.Cl","HDANEPCJEQEDMO-UHFFFAOYSA-N",393606,NA,"PDBC42160","695800","Present",NA,NA
+"42161","N-(Oxido(diphenyl)-lambda~4~-selanylidene)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[?]benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)N=[Se](=O)(C2=CC=CC=C2)C3=CC=CC=C3","DJCICCDRKPPNOV-UHFFFAOYSA-N",392974,NA,"PDBC42161","694216","Present",NA,NA
+"42162","N-(Phenoxathiin-2-ylcarbamothioyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Phenoxathiin-2-ylcarbamothioyl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC4=CC=CC=C4S3","BCLZHHYOUKFIMG-UHFFFAOYSA-N",5472352,NA,"PDBC42162","718028","Present",NA,NA
+"42163","N-(Phenoxyacetyl)deacetylcolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, 2-phenoxy-N-(5,6,7,9-tetrahydro-1,2,3,10-tetr...",NA,"COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)COC4=CC=CC=C4","GQILPBLGDOWLSP-UHFFFAOYSA-N",100175,NA,"PDBC42163","355450","Present",NA,NA
+"42164","N-(Phenylmethyl)-1H-benzotriazol-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzotriazole, 1-(phenylmethylamino)-",NA,"C1=CC=C(C=C1)CNN2C3=CC=CC=C3N=N2","WTBFBDRLXNOOGE-UHFFFAOYSA-N",4309,NA,"PDBC42164","622729","Present",NA,NA
+"42165","N-(Phenylsulfonyl)-3beta-(phenylsulfonylcarbamoyloxy)lupa-20(29)-ene-28-oic amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,3As,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(benzenesulfonylcarbamoyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)NS(=O)(=O)C6=CC=CC=C6)C)C(=O)NS(=O)(=O)C7=CC=CC=C7","MUWOUAHJNXFFGU-CCSKKOMLSA-N",44479967,NA,"PDBC42165","750234","Present",NA,NA
+"42166","N-(Phenylsulfonyl)octanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Phenylsulfonyl)octanamide",NA,"CCCCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1","YDNPYLGUUUUPSP-UHFFFAOYSA-N",357764,NA,"PDBC42166","617287","Present",NA,NA
+"42167","N-(Pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl(thiophene-2-carbonyl)carbamothioyl]thiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Pyridin-3-ylmethyl)-N-[pyridin-3-ylmethyl(thiophene-2-carbonyl)carbamothioyl]thiophene-2-carboxamide",NA,"C1=CC(=CN=C1)CN(C(=O)C2=CC=CS2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=CS4","YGJAPNBDISSOHW-UHFFFAOYSA-N",401378,NA,"PDBC42167","714690","Present",NA,NA
+"42168","N-(Tert-Butoxycarbonyl)-3-(5-hydroxy-2-pyridinyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Tert-Butoxycarbonyl)-3-(5-hydroxy-2-pyridinyl)alanine",NA,"CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)O)C(=O)O","JIENRYNUZMLGNO-UHFFFAOYSA-N",385337,NA,"PDBC42168","676455","Present",NA,NA
+"42169","N-(Tert-Butyl)-4-(1-hydroxy-2,2-dimethylpropyl)-N-methyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Tert-Butyl)-4-(1-hydroxy-2,2-dimethylpropyl)-N-methyl-1-cubanecarboxamide",NA,"CC(C)(C)C(C12C3C4C1C5C2C3C45C(=O)N(C)C(C)(C)C)O","DAACFRDEXNIXCF-UHFFFAOYSA-N",369197,NA,"PDBC42169","640903","Present",NA,NA
+"42170","N-(Tert-Butyl)-4-(2,2-dimethylpropanoyl)-N-methyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Tert-Butyl)-4-(2,2-dimethylpropanoyl)-N-methyl-1-cubanecarboxamide",NA,"CC(C)(C)C(=O)C12C3C4C1C5C2C3C45C(=O)N(C)C(C)(C)C","SWRIWNPXRKMKFO-UHFFFAOYSA-N",369199,NA,"PDBC42170","640905","Present",NA,NA
+"42171","N-(Tert-Butyl)-4-cyano-2,6,8-tris(2,2-dimethylpropanoyl)-N-methyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Tert-Butyl)-4-cyano-2,6,8-tris(2,2-dimethylpropanoyl)-N-methyl-1-cubanecarboxamide",NA,"CC(C)(C)C(=O)C12C3C4(C1C5(C4C3(C25C(=O)N(C)C(C)(C)C)C(=O)C(C)(C)C)C(=O)C(C)(C)C)C#N","HQDKXNCUPHCQJA-UHFFFAOYSA-N",369194,NA,"PDBC42171","640900","Present",NA,NA
+"42172","N-(Tert-Butyl)-4-cyano-N-methyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Tert-Butyl)-4-cyano-N-methyl-1-cubanecarboxamide",NA,"CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C#N","XVBQEBITCDGQDN-UHFFFAOYSA-N",369195,NA,"PDBC42172","640901","Present",NA,NA
+"42173","N-(Tert-Butyl)-4-iodo-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Tert-Butyl)-4-iodo-1-cubanecarboxamide",NA,"CC(C)(C)NC(=O)C12C3C4C1C5C2C3C45I","HXOAWHZOFBLXAV-UHFFFAOYSA-N",373486,NA,"PDBC42173","649893","Present",NA,NA
+"42174","N-(Tert-Butyl)-4-iodo-N-methyl-1-cubanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Tert-Butyl)-4-iodo-N-methyl-1-cubanecarboxamide",NA,"CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45I","YJYUIOSXPDSMKG-UHFFFAOYSA-N",373485,NA,"PDBC42174","649892","Present",NA,NA
+"42175","N-(Trifluoromethyl)-N'-(4-(trifluoromethyl)phenyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Trifluoromethyl)-N'-(4-(trifluoromethyl)phenyl)urea",NA,"C1=CC(=CC=C1C(F)(F)F)NC(=O)NC(F)(F)F","LHZPOSXEKNIMOL-UHFFFAOYSA-N",383651,NA,"PDBC42175","672069","Present",NA,NA
+"42176","N-(Vinyloxycarbonyl)deacetylthiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(vinyloxycarbonyl)deacetylthiocolchicine",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)OC=C)OC)OC","QNPQOSKMAOKAKA-INIZCTEOSA-N",341280,NA,"PDBC42176","373032","Present",NA,NA
+"42177","N-([1]Benzofuro[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-([1]Benzofuro[2,3-b]quinolin-11-yl)-N',N'-dimethylethane-1,2-diamine",NA,"CN(C)CCNC1=C2C3=CC=CC=C3OC2=NC4=CC=CC=C41","KIBLWBZMGMREBL-UHFFFAOYSA-N",24205997,NA,"PDBC42177","737618","Present",NA,NA
+"42178","N-(dimethyldispiro[[?]]yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(dimethyldispiro[[?]]yl)acetamide",NA,"CC(=O)NC1C2=CC=CC=C2C(C13CCC4(CC3)OCCO4)(C)C","GBBOSGWWVPSQFW-UHFFFAOYSA-N",380760,NA,"PDBC42178","666468","Present",NA,NA
+"42179","N-(hydroxy[?]yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(hydroxy[?]yl)butanamide",NA,"CCCC(=O)NC1=C2C3CCCCCC3C2=C(C=C1)O","LWCHKQVAKNOFOB-UHFFFAOYSA-N",375504,NA,"PDBC42179","655286","Present",NA,NA
+"42180","N-(n-Propyl)-7alpha,2',4',5'-tetraoxacyclohexane)-3'-spiro cyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(n-propyl)-7.alpha.,12.alpha.-Diacetoxy-5.beta.-cholan...",NA,"CCCNC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","VYOJHIHCFZNRRM-GTPWXSJUSA-N",404153,NA,"PDBC42180","720293","Present",NA,NA
+"42181","N-(p-Fluorobenzoyl)-Paclitaxel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(p-fluorobenzoyl)-paclitaxel",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)F)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)C(=O)OC","SCSPTBVSCIZTKC-LKRQEUHESA-N",45028539,NA,"PDBC42181","743102","Present",NA,NA
+"42182","N-1,3-Benzoxazol-2-ylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoxazolylguanidine",NA,"C1=CC=C2C(=C1)N=C(O2)N=C(N)N","FNGZREDJXWXRBW-UHFFFAOYSA-N",222552,NA,"PDBC42182","8967","Present",NA,NA
+"42183","N-1-Adamantyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-1-Adamantyl-2-(5-chloro-1H-indol-3-yl)-2-oxoacetamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Cl","SCSXLINWYJSKFC-UHFFFAOYSA-N",364463,NA,"PDBC42183","630724","Present",NA,NA
+"42184","N-1-Adamantyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-1-Adamantyl-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=C4C=C(C=C5)[N+](=O)[O-]","YPIARDJHELDZPP-UHFFFAOYSA-N",374150,NA,"PDBC42184","651607","Present",NA,NA
+"42185","N-1-Anthraquinonyl-2,3-dichloropropionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanamide, 2,3-dichloro-N-(9,10-dihydro-9,10-dioxo-1-a...",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)C(CCl)Cl","NMNHTHKXGSVAQT-UHFFFAOYSA-N",73490,NA,"PDBC42185","127763","Present",NA,NA
+"42186","N-1-Naphthylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-NAPHTHYL)-BENZAMIDE",NA,"C1=CC=C(C=C1)C(=O)NC2=CC=CC3=CC=CC=C32","ALANUUFGKYEMNI-UHFFFAOYSA-N",69448,NA,"PDBC42186","8090","Present",NA,NA
+"42187","N-1H-Indazol-3-yl-3-methyl-1H-pyrazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-1H-indazol-3-yl-3-methyl-1H-pyrazole-5-carboxamide",NA,"CC1=CC(=NN1)C(=O)NC2=NNC3=CC=CC=C32","QLUYXENXMSIVTM-UHFFFAOYSA-N",45028418,NA,"PDBC42187","742791","Present",NA,NA
+"42188","N-1H-Indazol-3-yl-3-methyl-4-nitro-1H-pyrazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-1H-indazol-3-yl-3-methyl-4-nitro-1H-pyrazole-5-carboxa...",NA,"CC1=C(C(=NN1)C(=O)NC2=NNC3=CC=CC=C32)[N+](=O)[O-]","BJCZEMFQBDJFTB-UHFFFAOYSA-N",45028419,NA,"PDBC42188","742792","Present",NA,NA
+"42189","N-2-Adamantyl-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-2-Adamantyl-4-(3-methyl-1,4-dioxidoquinoxalin-2-yl)-2,4-dioxobutanamide",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=O)C(=O)NC3C4CC5CC(C4)CC3C5","RKTWPZXAJCZBAM-UHFFFAOYSA-N",364329,NA,"PDBC42189","630344","Present",NA,NA
+"42190","N-3-Fluorenyl maleamidic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-4-(9H-Fluoren-3-ylamino)-4-oxobut-2-enoic acid",NA,"C1C2=C(C=C(C=C2)NC(=O)C=CC(=O)O)C3=CC=CC=C31","DPUGLVUNPUIJBN-FPLPWBNLSA-N",5351815,NA,"PDBC42190","49692","Present",NA,NA
+"42191","N-Acetoxy-N-(2-naphthylmethyloxy)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetoxy-N-(2-naphthylmethyloxy)acetamide",NA,"CC(=O)N(OCC1=CC2=CC=CC=C2C=C1)OC(=O)C","MJGYXRVHLGFJAA-UHFFFAOYSA-N",45028399,NA,"PDBC42191","742465","Present",NA,NA
+"42192","N-Acetyl-1-(3-iodo-1-oxo-2-trans-propenyl)indoline-3-ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-1-(3-iodo-1-oxo-2-trans-propenyl)indoline-3-eth...",NA,"CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)C=CI","MHGHKECOHLJWOC-SOFGYWHQSA-N",5468579,NA,"PDBC42192","671902","Present",NA,NA
+"42193","N-Acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-delta-butylamino-9'(1'-nitroacridine)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-.delta...",NA,"CC(C)C(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","ILJXPSQYBXCFCY-UHFFFAOYSA-N",489622,NA,"PDBC42193","697468","Present",NA,NA
+"42194","N-Acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-gamma-propylamino-N[4'-nitroacridone-9'(10H)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-N-.gamma...",NA,"CC(C)C(C(=O)NC(CCC(=O)NCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","MNQGVAPXVNYBKQ-UHFFFAOYSA-N",3394029,NA,"PDBC42194","697470","Present",NA,NA
+"42195","N-Acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-[N-(2-aminoethyl)-2-aminoethyl]-4-nitro-9-aminoacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-acetyl-1-benzyl-muramyl-L-valil-D-isoglutamyl-[N-(2-am...",NA,"CC(C)C(C(=O)NC(CCC(=O)NCCNCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","CYPPHZSQAAJLTI-LOHJYSQPSA-N",6712568,NA,"PDBC42195","697472","Present",NA,NA
+"42196","N-Acetyl-1-benzyl-nor-muramyl-L-alanyl-D-isoglutamyl-N-delta-butylamino-N[4'-nitroacridone-9'(10H)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-acetyl-1-benzyl-nor-muramyl-L-alanyl-D-isoglutamyl-N- ...",NA,"CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","YWIKBQNWKPHAKZ-UHFFFAOYSA-N",6712566,NA,"PDBC42196","697469","Present",NA,NA
+"42197","N-Acetyl-1-benzyl-nor-muramyl-L-prolyl-D-isoglutamyl-N-delta-butylamino-9'(1'-nitroacridine)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-acetyl-1-benzyl-nor-muramyl-L-prolyl-D-isoglutamyl-N-....",NA,"CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-])C(=O)N","JXTKDWULFLGSMT-PYFRKUPESA-N",6712565,NA,"PDBC42197","697467","Present",NA,NA
+"42198","N-Acetyl-1-benzyl-nor-muramyl-L-prolyl-D-isoglutamyl-[N'-(2-aminoethyl)-2-aminoethyl]-4-nitro-9-aminoacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-acetyl-1-benzyl-nor-muramyl-L-prolyl-D-isoglutamyl-[N'...",NA,"CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCNCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-])C(=O)N","CECXCHSMIMKYPQ-PYFRKUPESA-N",6712567,NA,"PDBC42198","697471","Present",NA,NA
+"42199","N-Acetyl-2,3-dihydro-1H-indole-3-ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-2,3-dihydro-1H-indole-3-ethanamine",NA,"CC(=O)NCCC1CNC2=CC=CC=C12","LGWUGAXPKZWKCB-UHFFFAOYSA-N",393459,NA,"PDBC42199","695367","Present",NA,NA
+"42200","N-Acetyl-3-(2-(2-chlorobenzyl)hydrazino)-N-(4-chlorophenyl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-3-(2-(2-chlorobenzyl)hydrazino)-N-(4-chlorophenyl)-3-oxopropanamide",NA,"CC(=O)N(C1=CC=C(C=C1)Cl)C(=O)CC(=O)NNCC2=CC=CC=C2Cl","DNJJVWCLXXGBAB-UHFFFAOYSA-N",378950,NA,"PDBC42200","662458","Present",NA,NA
+"42201","N-Acetyl-4-((3-(hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-4-((3-(hydroxy(oxido)amino)-5-methoxy-9-acridinyl)amino)benzenesulfonamide",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC=C4OC)[N+](=O)[O-]","KLGGLDLGANYVDE-UHFFFAOYSA-N",391140,NA,"PDBC42201","689866","Present",NA,NA
+"42202","N-Acetyl-4-((6-(hydroxy(oxido)amino)-2-methoxy-9-acridinyl)amino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-4-((6-(hydroxy(oxido)amino)-2-methoxy-9-acridinyl)amino)benzenesulfonamide",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)[N+](=O)[O-])OC","FCDOZTMGFLZKEZ-UHFFFAOYSA-N",391145,NA,"PDBC42202","689871","Present",NA,NA
+"42203","N-Acetyl-4-[3-(4-chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]benzene-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[3-(4-Chlorophenyl)-5-(2,5-dihydroxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)O)O","LRCVMRQXAZXSMK-UHFFFAOYSA-N",135585511,NA,"PDBC42203","731814","Present",NA,NA
+"42204","N-Acetyl-4-[5-(1,4-benzoquinonyl)-3-phenylpyrazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[5-(3,6-Dioxocyclohexa-1,4-dien-1-yl)-3-phenylpyrazol-1-yl]phenyl]sulfonylacetamide",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC(=O)C=CC4=O","DFQGRYRFFATZTI-UHFFFAOYSA-N",24204432,NA,"PDBC42204","731816","Present",NA,NA
+"42205","N-Acetyl-4-[5-(2,5-dihydroxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[5-(2,5-Dihydroxyphenyl)-3-phenylpyrazol-1-yl]phenyl]sulfonylacetamide",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)O)O","BIANFRTXZCABQY-UHFFFAOYSA-N",135585508,NA,"PDBC42205","731811","Present",NA,NA
+"42206","N-Acetyl-4-[5-(2,5-dimethoxyphenyl)-3-phenylpyrazol-1-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[5-(2,5-Dimethoxyphenyl)-3-phenylpyrazol-1-yl]phenyl]sulfonylacetamide",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=C(C=CC(=C4)OC)OC","CCVGHMCVJVQJQZ-UHFFFAOYSA-N",24204422,NA,"PDBC42206","731806","Present",NA,NA
+"42207","N-Acetyl-6-O/N[4'-nitroacridone-9'(10H)-yl]-1'-B-alanyl-carboxamidoundecanoyl/-MPD(L-Val)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-6-O/N[4'-nitroacridone-9'(10H)-yl]-1'-B-alanyl-...",NA,"CC(C)C(C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C(C)OC1C(C(OC(C1O)COC(=O)CCCCCCCCCCNC(=O)CCNC2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=O)C=C(C=C4)O)OCC5=CC=CC=C5)NC(=O)C","RTPDRDSXCGTLEE-UESPFTEQSA-N",6711923,NA,"PDBC42207","646615","Present",NA,NA
+"42208","N-Acetyl-DL-cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetylcysteine",NA,"CC(=O)NC(CS)C(=O)O","PWKSKIMOESPYIA-UHFFFAOYSA-N",581,NA,"PDBC42208","111180","Present",NA,NA
+"42209","N-Acetyl-DL-tryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetyltryptophan",NA,"CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O","DZTHIGRZJZPRDV-UHFFFAOYSA-N",2002,NA,"PDBC42209","49124","Present",NA,NA
+"42210","N-Acetyl-N-(1-acetyl-3-(4-methylbenzyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-N-(1-acetyl-3-(4-methylbenzyl)-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide",NA,"CC1=CC=C(C=C1)CC2=NN(C(=O)N2N(C(=O)C)C(=O)C)C(=O)C","OOTIDNGGUVGHPE-UHFFFAOYSA-N",384495,NA,"PDBC42210","674328","Present",NA,NA
+"42211","N-Acetyl-N-(4-chlorophenyl)-3-(4-((2-(hydroxy(oxido)amino)phenyl)diazenyl)-5-oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-N-(4-chlorophenyl)-3-[4-[(2-nitrophenyl)diazenyl]-5-oxo-3-phenyl-4H-pyrazol-1-yl]-3-oxopropanamide",NA,"CC(=O)N(C1=CC=C(C=C1)Cl)C(=O)CC(=O)N2C(=O)C(C(=N2)C3=CC=CC=C3)N=NC4=CC=CC=C4[N+](=O)[O-]","NOCFURHLBZOEFG-UHFFFAOYSA-N",378948,NA,"PDBC42211","662456","Present",NA,NA
+"42212","N-Acetyl-N-(4-chlorophenyl)-3-(4-((3-(hydroxy(oxido)amino)phenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-N-(4-chlorophenyl)-3-[3-methyl-4-[(3-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanamide",NA,"CC1=NN(C(=O)C1N=NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)CC(=O)N(C3=CC=C(C=C3)Cl)C(=O)C","BWYKHKMSRWKBEB-UHFFFAOYSA-N",378946,NA,"PDBC42212","662454","Present",NA,NA
+"42213","N-Acetyl-N-(5-(3,5-diphenyl-1H-pyrazol-1-yl)-4-phenyl-2-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-N-(5-(3,5-diphenyl-1H-pyrazol-1-yl)-4-phenyl-2-pyrimidinyl)acetamide",NA,"CC(=O)N(C1=NC=C(C(=N1)C2=CC=CC=C2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C","UJHYBLHIFLMKDB-UHFFFAOYSA-N",378728,NA,"PDBC42213","661830","Present",NA,NA
+"42214","N-Acetyl-N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-N-(5-oxo-3-phenyl-1H-1,2,4-triazol-4-yl)acetamide",NA,"CC(=O)N(C(=O)C)N1C(=NNC1=O)C2=CC=CC=C2","UKOIBKDSOVZTNU-UHFFFAOYSA-N",390139,NA,"PDBC42214","687207","Present",NA,NA
+"42215","N-Acetyl-N-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-N-(6-amino-1-methyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)acetamide",NA,"CC(=O)N(C1=C(N(C(=O)NC1=O)C)N)C(=O)C","NWICHRKUDMJIDT-UHFFFAOYSA-N",371476,NA,"PDBC42215","645750","Present",NA,NA
+"42216","N-Acetyl-N-[1-acetyl-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-N-[1-acetyl-3-[(4-chlorophenyl)methyl]-5-oxo-1,2,4-triazol-4-yl]acetamide",NA,"CC(=O)N1C(=O)N(C(=N1)CC2=CC=C(C=C2)Cl)N(C(=O)C)C(=O)C","TZDYUBYRCDBXOP-UHFFFAOYSA-N",381647,NA,"PDBC42216","668466","Present",NA,NA
+"42217","N-Acetyl-N-[16-(benzenesulfonyl)-3,5-dioxo-4-phenyl-2,4,6,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-8,10,12,14-tetraen-8-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-N-[16-(benzenesulfonyl)-3,5-dioxo-4-phenyl-2,4,6,16-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-8,10,12,14-tetraen-8-yl]acetamide",NA,"CC(=O)N(C1=C2C(N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)N5C(=O)N(C(=O)N5C1)C6=CC=CC=C6)C(=O)C","BDZIWQMQWQPSKI-UHFFFAOYSA-N",374622,NA,"PDBC42217","652591","Present",NA,NA
+"42218","N-Acetyl-N-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-N-[3-[(4-chlorophenyl)methyl]-5-oxo-1H-1,2,4-triazol-4-yl]acetamide",NA,"CC(=O)N(C(=O)C)N1C(=NNC1=O)CC2=CC=C(C=C2)Cl","IASNPSUGNQNKBN-UHFFFAOYSA-N",390054,NA,"PDBC42218","686968","Present",NA,NA
+"42219","N-Acetyl-N-formyl-5-methoxykynurenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AFMK",NA,"CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O","JYWNYMJKURVPFH-UHFFFAOYSA-N",171161,NA,"PDBC42219","688263","Present",NA,NA
+"42220","N-Acetyl-nor-muramyl-1-O-benyl-L-alanyl-D-(gama)-isoglutamyl-O-(beta)-ethyl-4-carboxyamidoacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-acetyl-nor-muramyl-1-O-benyl-L-alanyl-D-(gama)-isoglut...",NA,"CC(C(=O)NC(CCC(=O)OCCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","WQJPABIPDBCBGW-UHFFFAOYSA-N",404710,NA,"PDBC42220","721179","Present",NA,NA
+"42221","N-Acetylcolchinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-acetylcolchinol",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)O)OC)OC)OC","WJJZQSCOTJYYSP-INIZCTEOSA-N",242436,NA,"PDBC42221","51045","Present",NA,NA
+"42222","N-Acetylcolchinol, methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-acetylcolchinol, methyl ether",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=C1C=C(C=C3)OC)OC)OC)OC","FEPNCXXZWLXIHV-KRWDZBQOSA-N",242437,NA,"PDBC42222","51046","Present",NA,NA
+"42223","N-Acetyliodocolchinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyliodocolchinol",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC(=C(C=C13)O)I)OC)OC)OC","NTJNSPIBKNYJBX-HNNXBMFYSA-N",234103,NA,"PDBC42223","33408","Present",NA,NA
+"42224","N-Acetyltyrosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acetyl-L-tyrosine",NA,"CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)O","CAHKINHBCWCHCF-UHFFFAOYSA-N",89216,NA,"PDBC42224","10853","Present",NA,NA
+"42225","N-Acridin-9-yl-2,3-dimethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acridin-9-yl-2,3-dimethoxybenzamide",NA,"COC1=CC=CC(=C1OC)C(=O)NC2=C3C=CC=CC3=NC4=CC=CC=C42","IWITURRCIJODSI-UHFFFAOYSA-N",383385,NA,"PDBC42225","671556","Present",NA,NA
+"42226","N-Acridin-9-yl-4-[2-(2-hydroxyethylamino)ethylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acridin-9-yl-4-[2-(2-hydroxyethylamino)ethylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=NC(=O)N1)NCCNCCO)C(=O)NC2=C3C=CC=CC3=NC4=CC=CC=C42","AJJVNWZXCBSIAH-UHFFFAOYSA-N",392193,NA,"PDBC42226","692320","Present",NA,NA
+"42227","N-Acridin-9-yl-4-[3-(diethylamino)propylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acridin-9-yl-4-[3-(diethylamino)propylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CCN(CC)CCCNC1=NC(=O)NC(=C1C(=O)NC2=C3C=CC=CC3=NC4=CC=CC=C42)C","UHSDKIQVKSSCAG-UHFFFAOYSA-N",392189,NA,"PDBC42227","692316","Present",NA,NA
+"42228","N-Acryloyl-N'-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Acryloyl-N'-cyanoguanidine",NA,"C=CC(=O)NC(=NC#N)N","CADVGKZQAHRVJF-UHFFFAOYSA-N",135429903,NA,"PDBC42228","372154","Present",NA,NA
+"42229","N-Adamantyl-4-(4-methyl-2-(phenylamino)thiazol-5-yl)-2,4-dioxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-adamantyl-4-(4-methyl-2-(phenylamino)thiazol-5-yl)-2,4...",NA,"CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)CC(=O)C(=O)NC34CC5CC(C3)CC(C5)C4","KRSGQRCLGUSYAX-UHFFFAOYSA-N",54604825,NA,"PDBC42229","637682","Present",NA,NA
+"42230","N-Allyl-2-[(E)-hydroxyimino]-3-(2-hydroxy-3,5-dibromo-4-methoxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Allyl-2-[(E)-hydroxyimino]-3-(2-hydroxy-3,5-dibromo-4-methoxyphenyl)propanamide",NA,"COC1=C(C=C(C(=C1Br)O)CC(=NO)C(=O)NCC=C)Br","ANPKNZZDEYWXSS-MFOYZWKCSA-N",9572344,NA,"PDBC42230","712304","Present",NA,NA
+"42231","N-Allyl-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Allyl-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide",NA,"CC1CC(=O)NC2=CC=CC=C2N1C(=S)NCC=C","ZVOYJKVGQCQKBD-UHFFFAOYSA-N",3004454,NA,"PDBC42231","656588","Present",NA,NA
+"42232","N-Allyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Allyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide",NA,"CC1CN(C2=CC=CC=C2NC1=O)C(=S)NCC=C","LVTMJCXGQRVXRR-UHFFFAOYSA-N",3004455,NA,"PDBC42232","656589","Present",NA,NA
+"42233","N-Allyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Allyl-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide",NA,"CC1CN(C2=CC=CC=C2NC1=O)C(=O)NCC=C","ZXIBKDQWFZDUMS-UHFFFAOYSA-N",377486,NA,"PDBC42233","658954","Present",NA,NA
+"42234","N-Allyl-4-methyl-N-(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Allyl-4-methyl-N-(2-(((4-methylphenyl)sulfonyl)amino)ethyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCN(CC=C)S(=O)(=O)C2=CC=C(C=C2)C","PAGGCYIMQFERAQ-UHFFFAOYSA-N",373716,NA,"PDBC42234","650617","Present",NA,NA
+"42235","N-Allyl-7-chloro-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Allyl-7-chloro-3-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbothioamide",NA,"CC1CN(C2=C(C=C(C=C2)Cl)NC1=O)C(=S)NCC=C","QBFISCXHYGJJAE-UHFFFAOYSA-N",3004456,NA,"PDBC42235","656590","Present",NA,NA
+"42236","N-Allyl-9H-purine-6-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Prop-2-enyl-7H-purine-6-sulfonamide",NA,"C=CCNS(=O)(=O)C1=NC=NC2=C1NC=N2","KKMFKEJIAQCIPO-UHFFFAOYSA-N",5351841,NA,"PDBC42236","61747","Present",NA,NA
+"42237","N-Allyl-N'-((2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Allyl-N'-((2,4-dioxo-2H-chromen-3(4H)-ylidene)methyl)thiourea",NA,"C=CCNC(=S)N=CC1=C(C2=CC=CC=C2OC1=O)O","OQQGLUYLRVFLID-LZYBPNLTSA-N",135409043,NA,"PDBC42237","655968","Present",NA,NA
+"42238","N-Allyl-N-(1-allyl-2-oxo-4-azetidinyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Allyl-N-(1-allyl-2-oxo-4-azetidinyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CC=C)C2CC(=O)N2CC=C","ZENIVTWRELYEBV-UHFFFAOYSA-N",396907,NA,"PDBC42238","704086","Present",NA,NA
+"42239","N-Allyl-N-(2-(allyl((4-methylphenyl)sulfonyl)amino)ethyl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Allyl-N-(2-(allyl((4-methylphenyl)sulfonyl)amino)ethyl)-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CCN(CC=C)S(=O)(=O)C2=CC=C(C=C2)C)CC=C","UDNSUTPXNIYEDB-UHFFFAOYSA-N",373717,NA,"PDBC42239","650618","Present",NA,NA
+"42240","N-Allyl-N-(4-(hydroxy(oxido)amino)-7-methoxy-3-methyl-1H-indol-5-yl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Allyl-N-(4-(hydroxy(oxido)amino)-7-methoxy-3-methyl-1H-indol-5-yl)methanesulfonamide",NA,"CC1=CNC2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OC","AMLCYZHBZIOVGO-UHFFFAOYSA-N",393316,NA,"PDBC42240","694981","Present",NA,NA
+"42241","N-Allyl-N-(4-pyridylmethyl)benzilamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-32437",NA,"C=CCN(CC1=CC=NC=C1)C(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O","IBOKMCYIBFHZKK-UHFFFAOYSA-N",380040,NA,"PDBC42241","665336","Present",NA,NA
+"42242","N-Amino-2-(6-iodo-2-(2-thienyl)quinazolin-4-yloxy)ethanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-amino-2-(6-iodo-2-(2-thienyl)quinazolin-4-yloxy)ethana...",NA,"C1=CSC(=C1)C2=NC3=C(C=C(C=C3)I)C(=N2)OCC(=O)NN","KNYUPZGXJIMZOQ-UHFFFAOYSA-N",404798,NA,"PDBC42242","721316","Present",NA,NA
+"42243","N-Amino-N-[(E)-(5-nitro-1H-imidazol-4-yl)diazenyl]methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Amino-N-[(E)-(5-nitro-1H-imidazol-4-yl)diazenyl]methanamine",NA,"CN(N)N=NC1=C(NC=N1)[N+](=O)[O-]","BOUBJXIHHJMQCX-CMDGGOBGSA-N",135493927,NA,"PDBC42243","684036","Present",NA,NA
+"42244","N-Aminothioxomethyl-2,4-dichlorobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Aminothioxomethyl-2,4-dichlorobenzenesulfonamide",NA,"C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC(=S)N","IJZCAQICEKZATF-UHFFFAOYSA-N",5470779,NA,"PDBC42244","704960","Present",NA,NA
+"42245","N-Aminothioxomethyl-2,4-difluorobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Aminothioxomethyl-2,4-difluorobenzenesulfonamide",NA,"C1=CC(=C(C=C1F)F)S(=O)(=O)NC(=S)N","CPAKLDFKWFGJCB-UHFFFAOYSA-N",5470780,NA,"PDBC42245","704961","Present",NA,NA
+"42246","N-Aminothioxomethyl-4-chlorobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Aminothioxomethyl-4-chlorobenzenesulfonamide",NA,"C1=CC(=CC=C1S(=O)(=O)NC(=S)N)Cl","ASQPMGTVLIPQMA-UHFFFAOYSA-N",5470777,NA,"PDBC42246","704958","Present",NA,NA
+"42247","N-Aminothioxomethyl-4-fluorobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Aminothioxomethyl-4-fluorobenzenesulfonamide",NA,"C1=CC(=CC=C1F)S(=O)(=O)NC(=S)N","ZOAHLQNMCHEVIR-UHFFFAOYSA-N",5470778,NA,"PDBC42247","704959","Present",NA,NA
+"42248","N-Anthracen-1-yl-4-[3-(diethylamino)propylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Anthracen-1-yl-4-[3-(diethylamino)propylamino]-6-methyl-2-oxo-1H-pyrimidine-5-carboxamide",NA,"CCN(CC)CCCNC1=NC(=O)NC(=C1C(=O)NC2=CC=CC3=CC4=CC=CC=C4C=C32)C","NRPYGTHRBIATLU-UHFFFAOYSA-N",392187,NA,"PDBC42248","692314","Present",NA,NA
+"42249","N-Anthracen-1-yl-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Anthracen-1-yl-6-methyl-2-oxo-4-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=S)NC(=O)N1)C(=O)NC2=CC=CC3=CC4=CC=CC=C4C=C32","BLWCGEVULLAZPO-UHFFFAOYSA-N",4304587,NA,"PDBC42249","671849","Present",NA,NA
+"42250","N-BOC-piperidine-4-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"boc-inp-oh",NA,"CC(C)(C)OC(=O)N1CCC(CC1)C(=O)O","JWOHBPPVVDQMKB-UHFFFAOYSA-N",392871,NA,"PDBC42250","693924","Present",NA,NA
+"42251","N-Benzhydryl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzhydryl-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine;hydrochloride",NA,"CN1C2CCC1CC(C2)CCNC(C3=CC=CC=C3)C4=CC=CC=C4.Cl","PMFHTYZTLQBARP-UHFFFAOYSA-N",401889,NA,"PDBC42251","715580","Present",NA,NA
+"42252","N-Benzo[b]thiophen-7-ylmethyl-N'-(4-chloro-benzylidene)-N-methyl-hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzo[b]thiophen-7-ylmethyl-N'-(4-chloro-benzylidene)-N-methyl-hydrazine",NA,"CN(CC1=CC=CC2=C1SC=C2)N=CC3=CC=C(C=C3)Cl","BEPNDRKIBJSCCI-ODLFYWEKSA-N",9572293,NA,"PDBC42252","710407","Present",NA,NA
+"42253","N-Benzo[b]thiophen-7-ylmethyl-N'-(4-methoxy-benzylidene)-N-methyl-hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzo[b]thiophen-7-ylmethyl-N'-(4-methoxy-benzylidene)-N-methyl-hydrazine",NA,"CN(CC1=CC=CC2=C1SC=C2)N=CC3=CC=C(C=C3)OC","LMJOLNDLTSJYTE-UNOMPAQXSA-N",9572294,NA,"PDBC42253","710408","Present",NA,NA
+"42254","N-Benzoyl-3-phenyl-1H-pyrazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzoyl-3-phenyl-1H-pyrazole-5-carboxamide",NA,"C1=CC=C(C=C1)C2=NNC(=C2)C(=O)NC(=O)C3=CC=CC=C3","WCYXNUKQIBAFHP-UHFFFAOYSA-N",390367,NA,"PDBC42254","687706","Present",NA,NA
+"42255","N-Benzoyl-5-fluoro-(3-O-benzoyl-4,6-dideoxy-beta-L-glycero-hex-3-enopyranos-2-ulosyl) uracil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzoyl-5-fluoro-(3-O-benzoyl-4,6-dideoxy-.beta.-L-gly...",NA,"CC1C=C(C(=O)C(O1)N2C=C(C(=O)N(C2=O)C(=O)C3=CC=CC=C3)F)OC(=O)C4=CC=CC=C4","RMKMIRNINFNRJX-UHFFFAOYSA-N",365893,NA,"PDBC42255","633974","Present",NA,NA
+"42256","N-Benzoyl-N-(2-((cyano(phenyl)methylene)amino)phenyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzoyl-N-(2-((cyano(phenyl)methylene)amino)phenyl)benzamide",NA,"C1=CC=C(C=C1)C(=NC2=CC=CC=C2N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C#N","JVWDUURTIAJSPV-UHFFFAOYSA-N",369355,NA,"PDBC42256","641111","Present",NA,NA
+"42257","N-Benzoyl-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzoyl-N-(3-benzylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide",NA,"C1=CC=C(C=C1)CSC2=NSC(=N2)N(C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","HXMRZWYSDNKXBD-UHFFFAOYSA-N",399746,NA,"PDBC42257","710841","Present",NA,NA
+"42258","N-Benzoyl-N-(3-butylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzoyl-N-(3-butylsulfanyl-1,2,4-thiadiazol-5-yl)benzamide",NA,"CCCCSC1=NSC(=N1)N(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","ZSHVVFGBNGXFTD-UHFFFAOYSA-N",399744,NA,"PDBC42258","710839","Present",NA,NA
+"42259","N-Benzoyl-N-(4-chlorophenyl)-3-(4-((4-(hydroxy(oxido)amino)phenyl)diazenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-3-oxopropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Chlorophenyl)-N-[3-[3-methyl-4-[(4-nitrophenyl)diazenyl]-5-oxo-4H-pyrazol-1-yl]-3-oxopropanoyl]benzamide",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC(=O)N(C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4","JEIWAHCFJHMULD-UHFFFAOYSA-N",378947,NA,"PDBC42259","662455","Present",NA,NA
+"42260","N-Benzoyl-N-(4-chlorophenyl)-3-oxo-3-(2-(1-(2-oxo-2H-chromen-3-yl)ethyl)hydrazino)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzoyl-N-(4-chlorophenyl)-3-oxo-3-(2-(1-(2-oxo-2H-chromen-3-yl)ethyl)hydrazino)propanamide",NA,"CC(C1=CC2=CC=CC=C2OC1=O)NNC(=O)CC(=O)N(C3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4","HXIBKJJEAZWEMY-UHFFFAOYSA-N",378949,NA,"PDBC42260","662457","Present",NA,NA
+"42261","N-Benzoyldeacetylthiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-benzoyldeacetylthiocolchicine",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=CC=C4)OC)OC","AHNUEGAJJOXHHL-UHFFFAOYSA-N",339411,NA,"PDBC42261","366078","Present",NA,NA
+"42262","N-Benzoyldeoxycytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC609074",NA,"C1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)CO)O","MPSJHJFNKMUKCN-UHFFFAOYSA-N",355456,NA,"PDBC42262","609074","Present",NA,NA
+"42263","N-Benzoyloxy-2,3,3-trichloro-1-(3-ethoxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)prop-2-en-1-imine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzoyloxy-2,3,3-trichloro-1-(3-ethoxy-7-azabicyclo[4.2.0]octa-1(6),2,4,7-tetraen-8-yl)prop-2-en-1-imine oxide",NA,"CCOC1=CC2=C(C=C1)N=C2C(=[N+]([O-])OC(=O)C3=CC=CC=C3)C(=C(Cl)Cl)Cl","UECAWGNWMDRTKD-ULJHMMPZSA-N",24202619,NA,"PDBC42263","714430","Present",NA,NA
+"42264","N-Benzoyloxy-N-butoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzoyloxy-N-butoxybenzamide",NA,"CCCCON(C(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2","PKUGGDDWRHPYQT-UHFFFAOYSA-N",10979910,NA,"PDBC42264","742462","Present",NA,NA
+"42265","N-Benzyl(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl(2,2-dibutyl-1,3,2-dioxastannolan-4-yl)-N-methylmethanamine",NA,"CCCC[Sn]1(OCC(O1)CN(C)CC2=CC=CC=C2)CCCC","VZPKQBKTFYTNPJ-UHFFFAOYSA-N",16683177,NA,"PDBC42265","633512","Present",NA,NA
+"42266","N-Benzyl-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine",NA,"C1=CC=C(C=C1)CN=C2NC3=C(C=NC=C3)S(=O)(=O)N2C4=CC=CC=C4","WGIIODSXZXZCPD-UHFFFAOYSA-N",135426714,NA,"PDBC42266","710892","Present",NA,NA
+"42267","N-Benzyl-1-[10-[4-(benzylamino)-2-methylquinolin-1-ium-1-yl]decyl]-2-methylquinolin-1-ium-4-amine;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 1,1'-(1,10-decanediyl)bis[(2-methyl- 4-(phe...",NA,"CC1=[N+](C2=CC=CC=C2C(=C1)NCC3=CC=CC=C3)CCCCCCCCCC[N+]4=C(C=C(C5=CC=CC=C54)NCC6=CC=CC=C6)C.[O-]Cl(=O)(=O)=O","NKVCRJQSZFQRES-UHFFFAOYSA-O",387881,NA,"PDBC42267","682094","Present",NA,NA
+"42268","N-Benzyl-1-[[1-[(2,3-dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[[4-(Benzylamino)pyrazolo[5,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,"C1=CC=C(C=C1)CNC2=C3C=NN(C3=NC=N2)CC4=CN(N=N4)COCC(CO)O","DDONAQMBNQWHSZ-UHFFFAOYSA-N",398133,NA,"PDBC42268","707560","Present",NA,NA
+"42269","N-Benzyl-1-diphenylphosphoryl-1-(4-fluorophenyl)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-1-diphenylphosphoryl-1-(4-fluorophenyl)methanamine",NA,"C1=CC=C(C=C1)CNC(C2=CC=C(C=C2)F)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4","ALDGIMMWRISIHN-UHFFFAOYSA-N",385490,NA,"PDBC42269","676739","Present",NA,NA
+"42270","N-Benzyl-1-methyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-1-methyl-7-propan-2-yl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-amine;hydrochloride",NA,"CC(C)C1=CC2=C(C=C1)C3CCCC(C3CC2)(C)NCC4=CC=CC=C4.Cl","HEWPBVHYNWPTHT-UHFFFAOYSA-N",24181915,NA,"PDBC42270","12517","Present",NA,NA
+"42271","N-Benzyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646175",NA,"CSC(=[N+](CC1=CC=CC=C1)[O-])C2=CC=CC=C2.I","WRKYOPCGXXNIFE-YFKNTREVSA-N",5466976,NA,"PDBC42271","646175","Present",NA,NA
+"42272","N-Benzyl-1H-imidazo[4,5-d]pyridazin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-1H-imidazo[4,5-d]pyridazin-4-amine",NA,"C1=CC=C(C=C1)CNC2=C3C(=CN=N2)NC=N3","OMCMGFHSYKSIQQ-UHFFFAOYSA-N",5469588,NA,"PDBC42272","690572","Present",NA,NA
+"42273","N-Benzyl-2,2,2-trifluoro-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(4-methylphenyl)sulfanylbutyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-2,2,2-trifluoro-N-[(2S,3S)-2-(fluoromethyl)-2-hydroxy-3-(4-methylphenyl)sulfanylbutyl]acetamide",NA,"CC1=CC=C(C=C1)SC(C)C(CN(CC2=CC=CC=C2)C(=O)C(F)(F)F)(CF)O","FEPXLINFDLCAMN-OXJNMPFZSA-N",399836,NA,"PDBC42273","710972","Present",NA,NA
+"42274","N-Benzyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL332113",NA,"C1CC2=C(C3=CC=CC=C3N=C2C1)NCC4=CC=CC=C4","FSXVHPCDUBUHDH-UHFFFAOYSA-N",402667,NA,"PDBC42274","716853","Present",NA,NA
+"42275","N-Benzyl-2,4-dihydroxy-3-quinolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"IFLab1_000545",NA,"C1=CC=C(C=C1)CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O","WKAZEVUZAKRWHB-UHFFFAOYSA-N",54680441,NA,"PDBC42275","675972","Present",NA,NA
+"42276","N-Benzyl-2-(1,1-dioxo-2,5-dihydrothiophen-2-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-2-(1,1-dioxo-2,5-dihydrothiophen-2-yl)acetamide",NA,"C1C=CC(S1(=O)=O)CC(=O)NCC2=CC=CC=C2","GOURKYYFKQTJQJ-UHFFFAOYSA-N",337571,NA,"PDBC42276","356125","Present",NA,NA
+"42277","N-Benzyl-2-(2-fluorophenyl)iminochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-2-(2-fluorophenyl)iminochromene-3-carboxamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=NC4=CC=CC=C4F","XNULQNMAHNKRBJ-UHFFFAOYSA-N",397096,NA,"PDBC42277","704409","Present",NA,NA
+"42278","N-Benzyl-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-2-(9-bromoindolo[3,2-b]quinoxalin-6-yl)acetamide",NA,"C1=CC=C(C=C1)CNC(=O)CN2C3=C(C=C(C=C3)Br)C4=NC5=CC=CC=C5N=C42","VUAGFSYOPZXUCQ-UHFFFAOYSA-N",394887,NA,"PDBC42278","698978","Present",NA,NA
+"42279","N-Benzyl-2-(hydroxyimino)-3-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-2-(hydroxyimino)-3-oxobutanamide",NA,"CC(=C(C(=O)NCC1=CC=CC=C1)N=O)O","SGPOGXPZVKBRGV-CSKARUKUSA-N",135462464,NA,"PDBC42279","636332","Present",NA,NA
+"42280","N-Benzyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-2-[3-(trifluoromethyl)phenyl]iminochromene-3-carboxamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC3=CC=CC=C3OC2=NC4=CC=CC(=C4)C(F)(F)F","QDSBHGXWHAIFBK-UHFFFAOYSA-N",397100,NA,"PDBC42280","704413","Present",NA,NA
+"42281","N-Benzyl-2-imino-6-methoxy-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL513111",NA,"COC1=CC2=C(C=C1)OC(=N)C(=C2)C(=O)NCC3=CC=CC=C3","OUEWFLQNABACDL-UHFFFAOYSA-N",389254,NA,"PDBC42281","685007","Present",NA,NA
+"42282","N-Benzyl-2-imino-6-nitrochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL321173",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=N","XOWPOGBKBUXEIQ-UHFFFAOYSA-N",389247,NA,"PDBC42282","685000","Present",NA,NA
+"42283","N-Benzyl-2-methyl-N'-[1-[(2-phenylacetyl)amino]ethyl]propanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-2-methyl-N'-[1-[(2-phenylacetyl)amino]ethyl]propanediamide",NA,"CC(C(=O)NCC1=CC=CC=C1)C(=O)NC(C)NC(=O)CC2=CC=CC=C2","SHYYRCZBCBGHIY-UHFFFAOYSA-N",387032,NA,"PDBC42283","680352","Present",NA,NA
+"42284","N-Benzyl-2H-triazolo[4,5-d]pyrimidin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PUG-4",NA,"C1=CC=C(C=C1)CNC2=NC=NC3=NNN=C32","WUNPRFMUHCNVCF-UHFFFAOYSA-N",6413260,NA,"PDBC42284","401055","Present",NA,NA
+"42285","N-Benzyl-3-(3,3-dimethyltriazeno)-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-153969",NA,"CC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=C2)N=NN(C)C","KTMWOHRYHUGIKO-UHFFFAOYSA-N",374084,NA,"PDBC42285","651344","Present",NA,NA
+"42286","N-Benzyl-3-chloro-6-(1H-indol-3-yl)-4,5-dihydro-4-pyridazinamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-3-chloro-6-(1H-indol-3-yl)-4,5-dihydro-4-pyridazinamine",NA,"C1C(C(=NN=C1C2=CNC3=CC=CC=C32)Cl)NCC4=CC=CC=C4","DCZBRUFXIOGMBZ-UHFFFAOYSA-N",392042,NA,"PDBC42286","691841","Present",NA,NA
+"42287","N-Benzyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-3-phenyl-6-(trifluoromethyl)quinoxalin-2-amine",NA,"C1=CC=C(C=C1)CNC2=NC3=C(C=C(C=C3)C(F)(F)F)N=C2C4=CC=CC=C4","XWHJJXIICIRMAC-UHFFFAOYSA-N",367581,NA,"PDBC42287","637414","Present",NA,NA
+"42288","N-Benzyl-3-tert-butyl-N-isopropyl-1H-1,2,4-triazole-5-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-3-tert-butyl-N-isopropyl-1H-1,2,4-triazole-5-sulfonamide",NA,"CC(C)N(CC1=CC=CC=C1)S(=O)(=O)C2=NNC(=N2)C(C)(C)C","FNAIIMJOJHJXQH-UHFFFAOYSA-N",333274,NA,"PDBC42288","333544","Present",NA,NA
+"42289","N-Benzyl-4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-4-[[[(E)-3-(2-phenyl-1,3-thiazol-4-yl)prop-2-enoyl]amino]methyl]benzamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CSC(=N3)C4=CC=CC=C4","PCHFWHGGOBTFPI-FOCLMDBBSA-N",5470489,NA,"PDBC42289","702135","Present",NA,NA
+"42290","N-Benzyl-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-4-[[[(E)-3-(3-phenoxyphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4","UQDUAVRREQDFHY-KNTRCKAVSA-N",5470470,NA,"PDBC42290","702116","Present",NA,NA
+"42291","N-Benzyl-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-4-[[[(E)-3-(4-phenylmethoxyphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)OCC4=CC=CC=C4","JLFVZYHAHGSNDK-HMMYKYKNSA-N",5470468,NA,"PDBC42291","702114","Present",NA,NA
+"42292","N-Benzyl-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC=C(C=C3)C4=CC=CC=C4","ZPOVAVPLWGMKOX-HMMYKYKNSA-N",5470465,NA,"PDBC42292","702111","Present",NA,NA
+"42293","N-Benzyl-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-4-[[[(E)-3-naphthalen-2-ylprop-2-enoyl]amino]methyl]benzamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC4=CC=CC=C4C=C3","OOVJNXMYROIWAK-GHRIWEEISA-N",5470482,NA,"PDBC42293","702128","Present",NA,NA
+"42294","N-Benzyl-5-chloropyrazine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-pyrazine-2-carboxylic acid benzylamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CN=C(C=N2)Cl","ACZUOVLQJHTYDK-UHFFFAOYSA-N",406085,NA,"PDBC42294","724003","Present",NA,NA
+"42295","N-Benzyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride",NA,"CC1=C(NC(=C1C(=O)CCCCC(=O)NCC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC.Cl","CGOKCMRZNUGTNJ-KJEABERCSA-N",135958530,NA,"PDBC42295","746823","Present",NA,NA
+"42296","N-Benzyl-6-bromo-N-methylquinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-benzyl-N4-methyl-6-bromo-4-quinazolinamine benzyl(6-b...",NA,"CN(CC1=CC=CC=C1)C2=NC=NC3=C2C=C(C=C3)Br","XJZIQNNJZWPUOX-UHFFFAOYSA-N",660009,NA,"PDBC42296","727843","Present",NA,NA
+"42297","N-Benzyl-6-chloro-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBDivE_014574",NA,"C1=CC=C(C=C1)CNC2=NC(=NC(=N2)N)Cl","XSDWOOUKAMFWTM-UHFFFAOYSA-N",389521,NA,"PDBC42297","685812","Present",NA,NA
+"42298","N-Benzyl-6-chloro-2-imino-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-6-chloro-2-imino-2H-chromene-3-carboxamide",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=N","ILPJANFJJUOYLT-UHFFFAOYSA-N",389248,NA,"PDBC42298","685001","Present",NA,NA
+"42299","N-Benzyl-6-ethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-6-ethoxy-2-piperazin-1-yl-4-pyrrolidin-1-ylpteridin-7-amine",NA,"CCOC1=NC2=C(N=C1NCC3=CC=CC=C3)N=C(N=C2N4CCCC4)N5CCNCC5","ZCSMHNVGDNUTNN-UHFFFAOYSA-N",403208,NA,"PDBC42299","717863","Present",NA,NA
+"42300","N-Benzyl-7-hydroxy-2-imino-2H-chromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NPD5680",NA,"C1=CC=C(C=C1)CNC(=O)C2=CC3=C(C=C(C=C3)O)OC2=N","WNMOXELIHBLDDF-UHFFFAOYSA-N",135489853,NA,"PDBC42300","685004","Present",NA,NA
+"42301","N-Benzyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,"CC1C(C2=CC3=C(C=C2OC1NCC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","CUKBCVYSDUVKMO-UHFFFAOYSA-N",384845,NA,"PDBC42301","675363","Present",NA,NA
+"42302","N-Benzyl-9H-pyrido[3,4-b]indol-6-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629813",NA,"C1=CC=C(C=C1)CNC2=CC3=C(C=C2)NC4=C3C=CN=C4.Cl","NKEKVOWZMBRWEM-UHFFFAOYSA-N",364141,NA,"PDBC42302","629813","Present",NA,NA
+"42303","N-Benzyl-N''-cyano-N'-methylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Benzyl-3-cyano-2-methylguanidine",NA,"CN=C(NCC1=CC=CC=C1)NC#N","GYAPXLSAWAVQGC-UHFFFAOYSA-N",373919,NA,"PDBC42303","650949","Present",NA,NA
+"42304","N-Benzyl-N'-butyl-N''-cyanoguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Benzyl-1-butyl-3-cyanoguanidine",NA,"CCCCNC(=NCC1=CC=CC=C1)NC#N","QRULYQAAXJJSTA-UHFFFAOYSA-N",373920,NA,"PDBC42304","650950","Present",NA,NA
+"42305","N-Benzyl-N'-cyano-N''-(2-(1H-indol-3-yl)ethyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-N'-cyano-N''-(2-(1H-indol-3-yl)ethyl)guanidine",NA,"C1=CC=C(C=C1)CN=C(NCCC2=CNC3=CC=CC=C32)NC#N","GRVIIEDQQWILLQ-UHFFFAOYSA-N",375246,NA,"PDBC42305","654635","Present",NA,NA
+"42306","N-Benzyl-N,2,4,4-tetramethylpentyl)phenoxy)ethoxy)ethanaminium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-benzyl-N,N-dimethyl-2-(2-(4-(2,2,4,4-tetramethylpentyl...",NA,"CC(C)(C)CC(C)(C)CC1=CC=C(C=C1)OCCOCC[N+](C)(C)CC2=CC=CC=C2.[Cl-]","PVHBPHNVNIBLFU-UHFFFAOYSA-M",24186107,NA,"PDBC42306","45831","Present",NA,NA
+"42307","N-Benzyl-N,N-dimethylhexadecan-1-aminium hexafluorophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-N,N-dimethylhexadecan-1-aminium hexafluorophosphate",NA,"CCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.F[P-](F)(F)(F)(F)F","QLHDZCGJKUISDO-UHFFFAOYSA-N",24181101,NA,"PDBC42307","4844","Present",NA,NA
+"42308","N-Benzyl-N-((4-fluorophenyl)(4-morpholinyl)methylene)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-N-((4-fluorophenyl)(4-morpholinyl)methylene)amine",NA,"C1COCCN1C(=NCC2=CC=CC=C2)C3=CC=C(C=C3)F","BAQASOCKSAZCAP-UHFFFAOYSA-N",391447,NA,"PDBC42308","690651","Present",NA,NA
+"42309","N-Benzyl-N-(2-hydroxyethyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-N-(2-hydroxyethyl)-6-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide",NA,"CC1=C(C(=O)NC(=O)N1)C(=O)N(CCO)CC2=CC=CC=C2","WVLUZPWPPRRJPS-UHFFFAOYSA-N",382102,NA,"PDBC42309","669466","Present",NA,NA
+"42310","N-Benzyl-N-(2-iodophenyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-N-(2-iodophenyl)-1,4-dioxaspiro[4.5]dec-8-ene-8-carboxamide",NA,"C1CC2(CC=C1C(=O)N(CC3=CC=CC=C3)C4=CC=CC=C4I)OCCO2","FTKZJCRIVSSNFB-UHFFFAOYSA-N",393191,NA,"PDBC42310","694679","Present",NA,NA
+"42311","N-Benzyl-N-(2-iodylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-benzyl-N-(2-iodylphenyl)acetamide",NA,"CC(=O)N(CC1=CC=CC=C1)C2=CC=CC=C2I(=O)=O","YNUZDUVGRGRKKA-UHFFFAOYSA-N",24205925,NA,"PDBC42311","737262","Present",NA,NA
+"42312","N-Benzyl-N-(methylsulfonyl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBKinase1_002373",NA,"CS(=O)(=O)N(CC1=CC=CC=C1)CC(=O)O","ISJFVWJWYPWOKS-UHFFFAOYSA-N",300151,NA,"PDBC42312","174267","Present",NA,NA
+"42313","N-Benzyl-N-hydroxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-N-hydroxyacetamide",NA,"CC(=O)N(CC1=CC=CC=C1)O","AXLWZCHBAVVXRU-UHFFFAOYSA-N",371716,NA,"PDBC42313","646165","Present",NA,NA
+"42314","N-Benzyl-N-phenyl-1-benzofuran-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-N-phenyl-1-benzofuran-2-carboxamide",NA,"C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4O3","MNNOTYOXUNXPPQ-UHFFFAOYSA-N",370571,NA,"PDBC42314","643816","Present",NA,NA
+"42315","N-Benzyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyl-N-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine",NA,"C1=CC=C(C=C1)CN(C2=CC=CC=C2)C3=NC(=NC4=C3C=NN4)N","LWXSWMUODCMJDQ-UHFFFAOYSA-N",54613473,NA,"PDBC42315","749732","Present",NA,NA
+"42316","N-Benzylidene-2-(1,3-dithian-2-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzylidene-2-(1,3-dithian-2-yl)aniline",NA,"C1CSC(SC1)C2=CC=CC=C2N=CC3=CC=CC=C3","LSSSWSPCPSQWFT-UHFFFAOYSA-N",389273,NA,"PDBC42316","685026","Present",NA,NA
+"42317","N-Benzylidene-2-tert-butyl-3,3-dimethyl-1-butene-1-sulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzylidene-2-tert-butyl-3,3-dimethyl-1-butene-1-sulfinamide",NA,"CC(C)(C)C(=CS(=O)N=CC1=CC=CC=C1)C(C)(C)C","IFJIHDZDVFQSKL-LDADJPATSA-N",9571369,NA,"PDBC42317","649100","Present",NA,NA
+"42318","N-Benzylidene-4-(3-phenylbenzo[f]quinolin-1-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzylidene-4-(3-phenylbenzo[f]quinolin-1-yl)aniline",NA,"C1=CC=C(C=C1)C=NC2=CC=C(C=C2)C3=CC(=NC4=C3C5=CC=CC=C5C=C4)C6=CC=CC=C6","NFKDYJICOHIJDQ-UHFFFAOYSA-N",379933,NA,"PDBC42318","665125","Present",NA,NA
+"42319","N-Benzyloxy-[3(e), 5(e)]-trihydroxypiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzyloxy-[3(e), 4(a), 5(e)]-trihydroxypiperidine",NA,"C1C(C(C(CN1OCC2=CC=CC=C2)O)O)O","RZVUXZBOYSQAPJ-FOSCPWQOSA-N",384354,NA,"PDBC42319","674061","Present",NA,NA
+"42320","N-Boc-3,4-O-Isopropyliden-2-amino-2-deoxy-D-erythronsaure methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Boc-3,4-O-Isopropyliden-2-amino-2-deoxy-D-erythronsaur...",NA,"CC1(OCC(O1)C(C(=O)OC)NC(=O)OC(C)(C)C)C","ZPQKCEVGRNSFTD-RKDXNWHRSA-N",388427,NA,"PDBC42320","683335","Present",NA,NA
+"42321","N-Boc-piperidine-4-carboxylic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zlchem 373",NA,"CC(C)(C)OC(=O)N1CCC(CC1)C(=O)OC","PTZNCCIULVXFIJ-UHFFFAOYSA-N",392870,NA,"PDBC42321","693923","Present",NA,NA
+"42322","N-Bromoacetyltryptamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Bromoacetyltryptamine",NA,"C1=CC=C2C(=C1)C(=CN2)CCNC(=O)CBr","TZRUZONGYSVOGE-UHFFFAOYSA-N",399698,NA,"PDBC42322","710616","Present",NA,NA
+"42323","N-Butanoyl-N-(3-chloro-1,4-dioxonaphthalen-2-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanamide, N-(3-chloro-1,4-dioxo-2-naphthalenyl)- N-(1-...",NA,"CCCC(=O)N(C1=C(C(=O)C2=CC=CC=C2C1=O)Cl)C(=O)CCC","KIHGVJLEFGJROI-UHFFFAOYSA-N",389899,NA,"PDBC42323","686550","Present",NA,NA
+"42324","N-Butoxy-N-(pyren-1-carboxoyloxy)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-butoxy-N-(pyren-1-carboxoyloxy)acetamide",NA,"CCCCON(C(=O)C)OC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1","SLNHRPMJOVFFQB-UHFFFAOYSA-N",45028397,NA,"PDBC42324","742463","Present",NA,NA
+"42325","N-Butoxy-N-naphthoyloxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butoxy-N-naphthoyloxybenzamide",NA,"CCCCON(C(=O)C1=CC=CC=C1)OC(=O)C2=CC3=CC=CC=C3C=C2","ZUUYZNRADLORAU-UHFFFAOYSA-N",45028398,NA,"PDBC42325","742464","Present",NA,NA
+"42326","N-Butyl-1-isobutyl-imidazo[4,5-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-1-isobutyl-imidazo[4,5-c]quinolin-4-amine",NA,"CCCCNC1=NC2=CC=CC=C2C3=C1N=CN3CC(C)C","QNEILFXRUKWDEH-UHFFFAOYSA-N",383964,NA,"PDBC42326","672968","Present",NA,NA
+"42327","N-Butyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(BUTYLAMINO)-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE",NA,"CCCCNC1=C2C=NN(C2=NC=N1)C3=CC=CC=C3","GINHYDUSSMVIEH-UHFFFAOYSA-N",219760,NA,"PDBC42327","1433","Present",NA,NA
+"42328","N-Butyl-2-[(5Z)-5-[[3-methoxy-5-(1H-pyrrol-2-yl)-1H-pyrrol-2-yl]methylidene]-2,4-dimethylpyrrol-3-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-Butyl 2-(2-((4-methoxy-1H,1H'-[2,2'-bipyrrol]-5-yl)m...",NA,"CCCCNC(=O)CC1=C(C(=CC2=C(C=C(N2)C3=CC=CN3)OC)N=C1C)C","AEWJIJQHCCNDCS-PDGQHHTCSA-N",155806938,NA,"PDBC42328","787812","Present",NA,NA
+"42329","N-Butyl-2-[4-[(butylamino)sulfonyl]phenyl]dibenzothiophene-7-sulfonamide 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-8-[4-(butylsulfamoyl)phenyl]-5,5-dioxo-dibenzothiophene-3-sulfonamide",NA,"CCCCNS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2)S(=O)(=O)C4=C3C=CC(=C4)S(=O)(=O)NCCCC","PZEJSFJLBCVRBG-UHFFFAOYSA-N",373257,NA,"PDBC42329","649351","Present",NA,NA
+"42330","N-Butyl-2-chloro-4-methylsulfanyl-5-[(2-oxo-1H-imidazol-3-yl)sulfonyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-2-chloro-4-methylsulfanyl-5-[(2-oxo-1H-imidazol-3-yl)sulfonyl]benzamide",NA,"CCCCNC(=O)C1=CC(=C(C=C1Cl)SC)S(=O)(=O)N2C=CNC2=O","TZZCKXLPTGGTRD-UHFFFAOYSA-N",387412,NA,"PDBC42330","681160","Present",NA,NA
+"42331","N-Butyl-3,5-dihydroxy-1,2,4-triazine-6-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-3,5-dihydroxy-1,2,4-triazine-6-sulfonamide",NA,"CCCCNS(=O)(=O)C1=NNC(=O)NC1=O","PTKRCUQNJRECDH-UHFFFAOYSA-N",267917,NA,"PDBC42331","107696","Present",NA,NA
+"42332","N-Butyl-8-chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-8-chloro-5,5-dioxo-imidazo[1,2-b][1,4,2]benzodithiazine-7-carboxamide",NA,"CCCCNC(=O)C1=CC2=C(C=C1Cl)SC3=NC=CN3S2(=O)=O","JTPAIUMWASQFCM-UHFFFAOYSA-N",387416,NA,"PDBC42332","681164","Present",NA,NA
+"42333","N-Butyl-N'-(6-methoxyquinolin-8-yl)pentane-1,5-diamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-N'-(6-methoxyquinolin-8-yl)pentane-1,5-diamine;hydrobromide",NA,"CCCCNCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2.Br","YFOMUPCJZWGLCA-UHFFFAOYSA-N",54603801,NA,"PDBC42333","56646","Present",NA,NA
+"42334","N-Butyl-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-N-(1-oxo-2,3,4,9-tetrahydrocarbazol-4-yl)benzamide",NA,"CCCCN(C1CCC(=O)C2=C1C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4","GFESUKTUVVVHAM-UHFFFAOYSA-N",384059,NA,"PDBC42334","673183","Present",NA,NA
+"42335","N-Butyl-N-diphenoxyphosphorylbutan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-N-diphenoxyphosphorylbutan-1-amine",NA,"CCCCN(CCCC)P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2","LXYHZOHBLJTVPY-UHFFFAOYSA-N",409181,NA,"PDBC42335","19192","Present",NA,NA
+"42336","N-Butyl-N-ethyl-10-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)decan-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-N-ethyl-10-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)decan-1-amine",NA,"CCCCN(CC)CCCCCCCCCCN1CCCC2=C1C=CC(=C2)OC","VFMRXYQTDRTCFR-UHFFFAOYSA-N",225137,NA,"PDBC42336","14241","Present",NA,NA
+"42337","N-Butyl-N-ethyl-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-N-ethyl-2-(1-oxido-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-yl)-2-oxoacetamide",NA,"CCCCN(CC)C(=O)C(=O)C1C(=O)NC2=CC=CC=C2S1=O","KEQJNJMTNXUPGE-UHFFFAOYSA-N",369545,NA,"PDBC42337","641406","Present",NA,NA
+"42338","N-Butyl-alpha-phenylmorpholine-4-methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-alpha-phenylmorpholine-4-methanimine",NA,"CCCCN=C(C1=CC=CC=C1)N2CCOCC2","HFMYUBLNIKHIRW-UHFFFAOYSA-N",391446,NA,"PDBC42338","690650","Present",NA,NA
+"42339","N-Butylspiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butylspiro[1,3-dithiolane-2,1'-2,3,4,9-tetrahydrocarbazole]-4'-amine",NA,"CCCCNC1CCC2(C3=C1C4=CC=CC=C4N3)SCCS2","NIXHDTOXNDROPU-UHFFFAOYSA-N",384058,NA,"PDBC42339","673182","Present",NA,NA
+"42340","N-Butyryldeacetylcolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-butyryldeacetylcolchicine",NA,"CCCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","XWHJWSRKXWWZRN-UHFFFAOYSA-N",434137,NA,"PDBC42340","343493","Present",NA,NA
+"42341","N-Carbamoyl-1-(4-methoxyphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Carbamoyl-1-(4-methoxyphenyl)sulfonyl-5-oxopyrrolidine-2-carboxamide",NA,"COC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC(=O)N","CEDWRRNGZKOUTM-UHFFFAOYSA-N",393741,NA,"PDBC42341","696266","Present",NA,NA
+"42342","N-Carbamoyl-3-[(2-chloroacetyl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloroacetamido-benzoylurea",NA,"C1=CC(=CC(=C1)NC(=O)CCl)C(=O)NC(=O)N","LITSAODXEQICGH-UHFFFAOYSA-N",398524,NA,"PDBC42342","708439","Present",NA,NA
+"42343","N-Carbamoyl-3-[(2-fluoroacetyl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Fluoroacetamido-benzoylurea",NA,"C1=CC(=CC(=C1)NC(=O)CF)C(=O)NC(=O)N","CSMDLWPNYYCKAC-UHFFFAOYSA-N",398523,NA,"PDBC42343","708438","Present",NA,NA
+"42344","N-Carbamoylpyrazine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Pyrazinylcarbonyl)urea",NA,"C1=CN=C(C=N1)C(=O)NC(=O)N","IIRLWRMUHCLRGV-UHFFFAOYSA-N",396440,NA,"PDBC42344","702413","Present",NA,NA
+"42345","N-Cinnamoyl loline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cinnamoyl loline",NA,"CN(C1C2CN3C1C(O2)CC3)C(=O)C=CC4=CC=CC=C4","ALEFCBNVSYHVGL-BQYQJAHWSA-N",5387458,NA,"PDBC42345","623835","Present",NA,NA
+"42346","N-Cyano-N'-(2-methylphenyl)guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-cyano-3-(o-tolyl)guanidine",NA,"CC1=CC=CC=C1N=C(N)NC#N","YSDZQAQCSRAWSK-UHFFFAOYSA-N",382486,NA,"PDBC42346","670092","Present",NA,NA
+"42347","N-Cyano-N'-methacryloylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenamide, N-[(cyanoamino)iminomethyl]-2-methyl-",NA,"CC(=C)C(=O)NC(=NC#N)N","OTCJOQNMTFSYNR-UHFFFAOYSA-N",135429904,NA,"PDBC42347","372155","Present",NA,NA
+"42348","N-Cyclobutyl-3-[4-(cyclopropylmethylcarbamoyl)phenyl]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW782912X",NA,"CC1=C(C=C(C=C1)C(=O)NC2CCC2)C3=CC=C(C=C3)C(=O)NCC4CC4","RPNGVORGBYYVHT-UHFFFAOYSA-N",44578255,NA,"PDBC42348","756347","Present",NA,NA
+"42349","N-Cyclohexyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine",NA,"C1CCC(CC1)N=C2CCNC3=CC=CC=C3N2","OOMPHYGXHIAPKV-UHFFFAOYSA-N",135426650,NA,"PDBC42349","705839","Present",NA,NA
+"42350","N-Cyclohexyl-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecine-15-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene-17-sulfonamide",NA,"C1CCC(CC1)NS(=O)(=O)C2=CC3=C(C=C2)OCCOCCOCCOCCO3","IKTMHIVNKJEVFX-UHFFFAOYSA-N",376527,NA,"PDBC42350","657486","Present",NA,NA
+"42351","N-Cyclohexyl-2-((6-(2-(4-isopropylphenyl)vinyl)-2-mercapto-4-pyrimidinyl)carbonyl)hydrazinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyclohexyl-3-[[6-[(E)-2-(4-isopropylphenyl)vinyl]-2-sulfanyl-pyrimidine-4-carbonyl]amino]urea",NA,"CC(C)C1=CC=C(C=C1)C=CC2=CC(=NC(=S)N2)C(=O)NNC(=O)NC3CCCCC3","SSJPAPHDBGNZKD-JLHYYAGUSA-N",5388438,NA,"PDBC42351","636117","Present",NA,NA
+"42352","N-Cyclohexyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide",NA,"C1CCC(CC1)NC(=O)CN2C3=C(CCCC3)C4=CC=CC=C42","KHOHHFHWVKMROD-UHFFFAOYSA-N",381585,NA,"PDBC42352","668376","Present",NA,NA
+"42353","N-Cyclohexyl-2-(4-phenyltriazol-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-2-(4-phenyltriazol-1-yl)acetamide",NA,"C1CCC(CC1)NC(=O)CN2C=C(N=N2)C3=CC=CC=C3","IBVHUTYYHVNJLS-UHFFFAOYSA-N",386627,NA,"PDBC42353","679081","Present",NA,NA
+"42354","N-Cyclohexyl-2-[2-(2-hydroxy-3,5-dimethylcyclohexyl)-6-oxooxan-4-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-2-[2-(2-hydroxy-3,5-dimethylcyclohexyl)-6-oxooxan-4-yl]acetamide",NA,"CC1CC(C(C(C1)C2CC(CC(=O)O2)CC(=O)NC3CCCCC3)O)C","GZWODCBDYVQTID-UHFFFAOYSA-N",386141,NA,"PDBC42354","677773","Present",NA,NA
+"42355","N-Cyclohexyl-2-imino-8-prop-2-enylchromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-2-imino-8-prop-2-enylchromene-3-carboxamide",NA,"C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NC3CCCCC3","PVVQIQVGNMZIGK-UHFFFAOYSA-N",395965,NA,"PDBC42355","701089","Present",NA,NA
+"42356","N-Cyclohexyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-imine;hydrochloride",NA,"C1CCC(CC1)N=C2CC(NC3=CC=CC=C3N2)C4=CC=CC=C4.Cl","ZJSFNLBWLQAUIH-UHFFFAOYSA-N",135505221,NA,"PDBC42356","705841","Present",NA,NA
+"42357","N-Cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-2-thioxo-1-imidazolidinecarbothioamide",NA,"C1CCC(CC1)NC(=S)N2CCNC2=S","FIXPLCVZQAYSFH-UHFFFAOYSA-N",3005453,NA,"PDBC42357","704174","Present",NA,NA
+"42358","N-Cyclohexyl-2-thioxo-1-imidazolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-2-thioxo-1-imidazolidinecarboxamide",NA,"C1CCC(CC1)NC(=O)N2CCNC2=S","SIUOWCMHLJSHCK-UHFFFAOYSA-N",3005455,NA,"PDBC42358","704176","Present",NA,NA
+"42359","N-Cyclohexyl-3-(3,3-dimethyltriazeno)-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-153982",NA,"CC1=C(C=C(C=C1)C(=O)NC2CCCCC2)N=NN(C)C","FXHSCNZIZTUXTM-UHFFFAOYSA-N",374083,NA,"PDBC42359","651343","Present",NA,NA
+"42360","N-Cyclohexyl-4-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-cyclohexyl-4-((1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-...",NA,"C1CCC(CC1)NC(=O)C2=CC=C(C=C2)NC3=C4C=NN(C4=NC=N3)C5=CC=CC=C5","SKZWHZCMLRRTSH-UHFFFAOYSA-N",127036356,NA,"PDBC42360","775951","Present",NA,NA
+"42361","N-Cyclohexyl-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzamide",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC4CCCCC4","RDDCVZAYDBQJBH-UHFFFAOYSA-N",393097,NA,"PDBC42361","694482","Present",NA,NA
+"42362","N-Cyclohexyl-4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidine-5-carboxamide",NA,"CN1C(=C(C(=O)N(C1=S)C)C(=O)NC2CCCCC2)O","ONFLGGFFTXJQME-UHFFFAOYSA-N",371517,NA,"PDBC42362","645839","Present",NA,NA
+"42363","N-Cyclohexyl-4-methyl-3-oxo-6,6-diphenyl-2,8-diazatricyclo[5.2.2.01,5]undeca-4,8,10-triene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-4-methyl-3-oxo-6,6-diphenyl-2,8-diazatricyclo[5.2.2.01,5]undeca-4,8,10-triene-2-carboxamide",NA,"CC1=C2C3(C=CC(C2(C4=CC=CC=C4)C5=CC=CC=C5)N=C3)N(C1=O)C(=O)NC6CCCCC6","XHFBCUUIJRMUDD-UHFFFAOYSA-N",365086,NA,"PDBC42363","632111","Present",NA,NA
+"42364","N-Cyclohexyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,"C1CCC(CC1)NC(=O)C2=C(NC(=S)NC2=O)O","OPMCRBPRJLNCQJ-UHFFFAOYSA-N",3267866,NA,"PDBC42364","645837","Present",NA,NA
+"42365","N-Cyclohexyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-7-methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-amine",NA,"CC1C(C2=CC3=C(C=C2OC1NC4CCCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","PDVGRMYFRCDRDU-UHFFFAOYSA-N",384847,NA,"PDBC42365","675365","Present",NA,NA
+"42366","N-Cyclohexyl-N'-(3-fluoro-1-adamantyl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-N'-(3-fluoro-1-adamantyl)urea",NA,"C1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)(C3)F","UEBGOLDCBLRMLD-UHFFFAOYSA-N",371832,NA,"PDBC42366","646348","Present",NA,NA
+"42367","N-Cyclohexyl-N,6-dimethylquinazolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-cyclohexyl-N4,6-dimethyl-4-quinazolinamine cyclohexyl...",NA,"CC1=CC2=C(C=C1)N=CN=C2N(C)C3CCCCC3","XATHVDRZOYLAQD-UHFFFAOYSA-N",720997,NA,"PDBC42367","727839","Present",NA,NA
+"42368","N-Cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-furamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-furamide",NA,"C1CCC(CC1)N(C(=O)C2=CC=CO2)C(=S)N3CCN(CC3)C4=CC=CC=N4","SVBVCWPJHHDFOF-UHFFFAOYSA-N",376066,NA,"PDBC42368","656465","Present",NA,NA
+"42369","N-Cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide",NA,"C1CCC(CC1)N(C(=O)C2=CC=CS2)C(=S)N3CCN(CC3)C4=CC=CC=N4","QQSVHOFXAVINFJ-UHFFFAOYSA-N",376065,NA,"PDBC42369","656464","Present",NA,NA
+"42370","N-Cyclohexyl-N-((4-methyl-1-piperazinyl)carbothioyl)-2-furamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-N-((4-methyl-1-piperazinyl)carbothioyl)-2-furamide",NA,"CN1CCN(CC1)C(=S)N(C2CCCCC2)C(=O)C3=CC=CO3","YFXSBNPBCFCQNI-UHFFFAOYSA-N",376048,NA,"PDBC42370","656447","Present",NA,NA
+"42371","N-Cyclohexyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide",NA,"CN1CCN(CC1)C(=S)N(C2CCCCC2)C(=O)C3=CC=CS3","LHDVCMIDWUDFGX-UHFFFAOYSA-N",376047,NA,"PDBC42371","656446","Present",NA,NA
+"42372","N-Cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)furan-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)furan-2-carboxamide",NA,"C1CCC(CC1)N(C(=O)C2=CC=CO2)C(=S)N3CCN(CC3)C4=CC=CC=C4","TYCVNLNDDLHWIJ-UHFFFAOYSA-N",376057,NA,"PDBC42372","656456","Present",NA,NA
+"42373","N-Cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)thiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexyl-N-(4-phenylpiperazine-1-carbothioyl)thiophene-2-carboxamide",NA,"C1CCC(CC1)N(C(=O)C2=CC=CS2)C(=S)N3CCN(CC3)C4=CC=CC=C4","LWCKKTCRDXGVHX-UHFFFAOYSA-N",376056,NA,"PDBC42373","656455","Present",NA,NA
+"42374","N-Cyclohexyl-N-hydroxybenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-cyclohexyl-N-hydroxy-benzamidine",NA,"C1CCC(CC1)N(C(=N)C2=CC=CC=C2)O","PFSJPBGXWOXIDL-UHFFFAOYSA-N",361546,NA,"PDBC42374","624724","Present",NA,NA
+"42375","N-Cyclohexylcyclohexanamine;2-hydroxy-5,5-dimethyl-2-oxo-1,2lambda5-oxaphospholan-4-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexylcyclohexanamine;2-hydroxy-5,5-dimethyl-2-oxo-1,2lambda5-oxaphospholan-4-one",NA,"CC1(C(=O)CP(=O)(O1)O)C.C1CCC(CC1)NC2CCCCC2","MOBOHLRVJCARJD-UHFFFAOYSA-N",380895,NA,"PDBC42375","666678","Present",NA,NA
+"42376","N-Cyclohexylidene-3-methyl-2,3-dihydro-1,3-oxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclohexylidene-3-methyl-2,3-dihydro-1,3-oxazol-2-amine",NA,"CN1C=COC1N=C2CCCCC2","SZZNRQNBINNIKB-UHFFFAOYSA-N",379525,NA,"PDBC42376","664185","Present",NA,NA
+"42377","N-Cyclopentyl 2-(boc-amino)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KM3973",NA,"CC(C(=O)NC1CCCC1)NC(=O)OC(C)(C)C","FPJDSGXSDUWPCQ-UHFFFAOYSA-N",383826,NA,"PDBC42377","672443","Present",NA,NA
+"42378","N-Cyclopentyl-2-(4-phenyltriazol-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclopentyl-2-(4-phenyltriazol-1-yl)acetamide",NA,"C1CCC(C1)NC(=O)CN2C=C(N=N2)C3=CC=CC=C3","RJFXVMMYVFGNQZ-UHFFFAOYSA-N",386626,NA,"PDBC42378","679080","Present",NA,NA
+"42379","N-Cyclopentyl-N',3,5]triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclopentyl-N',N''-bis-(4-methoxy-benzyl)-[1,3,5]triaz...",NA,"COC1=CC=C(C=C1)CNC2=NC(=NC(=N2)NC3CCCC3)NCC4=CC=C(C=C4)OC","HCHLTQUEAZUMOA-UHFFFAOYSA-N",405306,NA,"PDBC42379","722499","Present",NA,NA
+"42380","N-Cyclopropanoyl loline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclopropanoyl loline",NA,"CN(C1C2CN3C1C(O2)CC3)C(=O)C4CC4","FXYHMIWPEOUVQP-UHFFFAOYSA-N",361059,NA,"PDBC42380","623833","Present",NA,NA
+"42381","N-Cyclopropyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclopropyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine",NA,"CSC1=NC=C2C(OC3=CC=CC=C3C2=N1)NC4CC4","ZUJJUKJZOIGEEM-UHFFFAOYSA-N",390602,NA,"PDBC42381","688122","Present",NA,NA
+"42382","N-Cyclopropyl-3-(1H-indazol-5-yl)-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW820759X",NA,"CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=CC4=C(C=C3)NN=C4","HZKJOEBOIMSMJP-UHFFFAOYSA-N",10469531,NA,"PDBC42382","756382","Present",NA,NA
+"42383","N-Cyclopropyl-6-(methylthio)-1,2-[1,3]butadieno-3,5,7,10,10a-pentaaza-4-thiabenzo[f]azulene-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclopropyl-5-methylsulfanyl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine",NA,"CSC1=NC(=C2C=NN3C4=CC=CC=C4N=C3SC2=N1)NC5CC5","SBCSGWXRKROGFQ-UHFFFAOYSA-N",399938,NA,"PDBC42383","711090","Present",NA,NA
+"42384","N-Cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide",NA,"C1CC1NC(=O)C2=C(NC(=S)NC2=O)O","DHSICKBMNGDWFI-UHFFFAOYSA-N",3728354,NA,"PDBC42384","645842","Present",NA,NA
+"42385","N-Cys HIV (583-599)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Cys HIV (583-599)",NA,NA,NA,NA,NA,"PDBC42385","633661","Present",NA,NA
+"42386","N-Deacetylthiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiocolciran",NA,"COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)N)OC)OC","NUNCOHUMTCDISK-AWEZNQCLSA-N",17649,NA,"PDBC42386","9170","Present",NA,NA
+"42387","N-Decyl-2-iodoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-DECYL-2-IODOACETAMIDE",NA,"CCCCCCCCCCNC(=O)CI","YSZAILKODPQVOU-UHFFFAOYSA-N",219690,NA,"PDBC42387","1338","Present",NA,NA
+"42388","N-Dibenzofuran-3-ylpyridine-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Dibenzofuran-3-ylpyridine-3-carbothioamide",NA,"C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)C4=CN=CC=C4","MQCJNPKFWQIEQK-UHFFFAOYSA-N",3005417,NA,"PDBC42388","698579","Present",NA,NA
+"42389","N-Dibenzofuran-3-ylthiophene-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Dibenzofuran-3-ylthiophene-2-carbothioamide",NA,"C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)NC(=S)C4=CC=CS4","GZQQAKFFXBGHQA-UHFFFAOYSA-N",3005257,NA,"PDBC42389","687315","Present",NA,NA
+"42390","N-Diethoxyphosphoryl-2-ethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.505.595I",NA,"CCC1=CC=CC=C1NP(=O)(OCC)OCC","RLTYRKUJFXHARM-UHFFFAOYSA-N",392286,NA,"PDBC42390","692420","Present",NA,NA
+"42391","N-Dimethylacroyl loline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Dimethylacroyl loline",NA,"CC(=CC(=O)N(C)C1C2CN3C1C(O2)CC3)C","WBDAQNRRLRMPDN-UHFFFAOYSA-N",361062,NA,"PDBC42391","623836","Present",NA,NA
+"42392","N-Dodecyl-10-methyl-1,4,8,12-tetrazacyclopentadecan-10-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Dodecyl-10-methyl-1,4,8,12-tetrazacyclopentadecan-10-amine",NA,"CCCCCCCCCCCCNC1(CNCCCNCCNCCCNC1)C","CULLETOHXDCJIM-UHFFFAOYSA-N",373079,NA,"PDBC42392","648999","Present",NA,NA
+"42393","N-Dodecyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]dodecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Dodecyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]dodecanamide",NA,"CCCCCCCCCCCCN(CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C(=O)CCCCCCCCCCC","UZXDROKVWRIOSG-UHFFFAOYSA-N",389650,NA,"PDBC42393","685992","Present",NA,NA
+"42394","N-Dodecyl-N-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"G9SUZ33DVO",NA,"CCCCCCCCCCCCN(C(=O)C1=CC=CC=C1)O","KQDMTFAQBVMWDP-UHFFFAOYSA-N",325612,NA,"PDBC42394","294608","Present",NA,NA
+"42395","N-Ethyl 7alpha,2',4',5'-tetraoxacyclohexane)-3'-spiro-1''-(4''-methyl)cyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720303///NSC720306",NA,"CCNC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC(CC6)C)OO5)C)OC(=O)C)OC(=O)C)C","LFYVETSPEPPKAU-KMGDBKJZSA-N",404161,NA,"PDBC42395","720303///720306","Present",NA,NA
+"42396","N-Ethyl-2-(1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-2-(1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide",NA,"CCNC(=O)C(C)C1CCC2(C=CC(=O)C(=C2C1O)C)C","VIVAYDMPIRHVDB-UHFFFAOYSA-N",360731,NA,"PDBC42396","623070","Present",NA,NA
+"42397","N-Ethyl-2-(3,4,5-trimethoxyphenyl)-3-(4-methoxyphenyl)acrylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)N-Ethyl-[3-(4-methoxyphenyl)-2-(3,4,5-trimethoxypheny...",NA,"CCNC(=O)C(=CC1=CC=C(C=C1)OC)C2=CC(=C(C(=C2)OC)OC)OC","OKJGGWPYSHLZSO-GZTJUZNOSA-N",5388754,NA,"PDBC42397","638409","Present",NA,NA
+"42398","N-Ethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide",NA,"CCNC(=O)C1=CC(=NC2=CC=CC=C21)C=CC3=CC=C(O3)[N+](=O)[O-]","HPHHUQLTSBTFCK-BQYQJAHWSA-N",5471900,NA,"PDBC42398","715224","Present",NA,NA
+"42399","N-Ethyl-2H-triazolo[4,5-d]pyrimidin-7-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-2H-triazolo[4,5-d]pyrimidin-7-amine",NA,"CCNC1=NC=NC2=NNN=C21","PEVIHCHBEIZCAG-UHFFFAOYSA-N",6411289,NA,"PDBC42399","40439","Present",NA,NA
+"42400","N-Ethyl-4,4-dimethyl-2-(3-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-4,4-dimethyl-2-(3-methylphenyl)-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-amine",NA,"CCNC1(C2=CC=CC3=C2C(=CC=C3)C(O1)(C)C)C4=CC=CC(=C4)C","RIDRBCLMWKJHJX-UHFFFAOYSA-N",403563,NA,"PDBC42400","718587","Present",NA,NA
+"42401","N-Ethyl-4-hydroxy-2-oxo-1,2-dihydro-3-quinolinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK834482",NA,"CCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O","UYDZAQUMTHQJCC-UHFFFAOYSA-N",54680440,NA,"PDBC42401","675971","Present",NA,NA
+"42402","N-Ethyl-4-methyl-N-[(E)-(2-oxo-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-ylidene)amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-4-methyl-N-[(E)-(2-oxo-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-ylidene)amino]benzenesulfonamide",NA,"CCN(N=C1CC2CN(CC=C2)C(=O)CC3=C1NC4=CC=CC=C34)S(=O)(=O)C5=CC=C(C=C5)C","SHXWWHSGFHUFOE-ZZIIXHQDSA-N",135483969,NA,"PDBC42402","646971","Present",NA,NA
+"42403","N-Ethyl-5-(1-(ethylamino)-1-methylethyl)-2-methyl-2-cyclohexen-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-5-[1-(ethylamino)-1-methyl-ethyl]-2-methyl-cyclohex-2-en-1-amine",NA,"CCNC1CC(CC=C1C)C(C)(C)NCC","KGDIPINWNMVFFO-UHFFFAOYSA-N",375999,NA,"PDBC42403","656379","Present",NA,NA
+"42404","N-Ethyl-5-[2-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-5-[2-[2-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]anilino]phenyl]-1,3,4-thiadiazol-2-amine",NA,"CCNC1=NN=C(S1)C2=CC=CC=C2NC3=CC=CC=C3C4=NN=C(S4)NCC","KJMMXUHDSKUPQW-UHFFFAOYSA-N",394756,NA,"PDBC42404","698459","Present",NA,NA
+"42405","N-Ethyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate",NA,NA,NA,NA,NA,"PDBC42405","650976","Present",NA,NA
+"42406","N-Ethyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride",NA,"CCNC(=O)CCCCC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C.Cl","GPKDMHSWICGABC-MASIZSFYSA-N",135958532,NA,"PDBC42406","746824","Present",NA,NA
+"42407","N-Ethyl-9H-fluoren-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-9H-fluoren-2-amine",NA,"CCNC1=CC2=C(C=C1)C3=CC=CC=C3C2","BGRBCWMKCOLIOE-UHFFFAOYSA-N",224046,NA,"PDBC42407","12288","Present",NA,NA
+"42408","N-Ethyl-N,N-dimethyl-2-[2-(4-octylphenoxy)ethoxy]ethan-1-aminium dodecane-1-sulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-N,N-dimethyl-2-[2-(4-octylphenoxy)ethoxy]ethan-1-aminium dodecane-1-sulfonate",NA,"CCCCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCC1=CC=C(C=C1)OCCOCC[N+](C)(C)CC","RYWSGLQSGYKTBQ-UHFFFAOYSA-M",24181516,NA,"PDBC42408","9667","Present",NA,NA
+"42409","N-Ethyl-N-(13-oxo-12-azadispiro[4.1.4^{7}.2^{5}]tridecan-6-yl)nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-N-(13-oxo-12-azadispiro[4.1.4^{7}.2^{5}]tridecan-6-yl)nitrous amide",NA,"CCN(C1C2(CCCC2)C(=O)NC13CCCC3)N=O","SRIXUQUJKSKVQI-UHFFFAOYSA-N",363332,NA,"PDBC42409","628189","Present",NA,NA
+"42410","N-Ethyl-N-[[1-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Ethyl-N-[[1-(4-methoxyphenyl)-[1,3]thiazolo[3,2-a]benzimidazol-2-yl]methyl]ethanamine",NA,"CCN(CC)CC1=C(N2C3=CC=CC=C3N=C2S1)C4=CC=C(C=C4)OC","LLCYMTBWUXUDBI-UHFFFAOYSA-N",397923,NA,"PDBC42410","706979","Present",NA,NA
+"42411","N-Ethyl-N-phenylethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-ethyl-N-phenyl-acetamidine",NA,"CCN(C1=CC=CC=C1)C(=N)C","LHHGNFDTLLPZPI-UHFFFAOYSA-N",367602,NA,"PDBC42411","637434","Present",NA,NA
+"42412","N-Fluoranthen-2-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Fluoranthen-2-ylacetamide",NA,"CC(=O)NC1=CC2=C3C(=C1)C=CC=C3C4=CC=CC=C42","DCGVCFDUNWGKEI-UHFFFAOYSA-N",255622,NA,"PDBC42412","81303","Present",NA,NA
+"42413","N-Formyl-3-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Formyl-3-oxobutanamide",NA,"CC(=O)CC(=O)NC=O","AZKOSEJTNMVHTF-UHFFFAOYSA-N",365127,NA,"PDBC42413","632227","Present",NA,NA
+"42414","N-Formylcarbazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Formylcarbazole",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3N2C=O","WIJUWUXVANGIPQ-UHFFFAOYSA-N",148300,NA,"PDBC42414","655057","Present",NA,NA
+"42415","N-Formyldemecolcine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-deacetyl-n-formyl-n-methylcolchicine",NA,"CN(C=O)C1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","HTWMEJLBEVTMMZ-INIZCTEOSA-N",26819,NA,"PDBC42415","315260","Present",NA,NA
+"42416","N-Furo[3,2-c]quinolin-4-yl-N',N'-dimethylethane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Furo[3,2-c]quinolin-4-yl-N',N'-dimethylethane-1,2-diamine",NA,"CN(C)CCNC1=NC2=CC=CC=C2C3=C1C=CO3","DJWLRJIKGSTTKK-UHFFFAOYSA-N",24203909,NA,"PDBC42416","730139","Present",NA,NA
+"42417","N-Hexadecyl-2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin-15-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hexadecyl-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-trien-17-amine",NA,"CCCCCCCCCCCCCCCCNC1=CC2=C(C=C1)OCCOCCOCCOCCO2","CZAYIPBFNWGWGE-UHFFFAOYSA-N",376529,NA,"PDBC42417","657488","Present",NA,NA
+"42418","N-Hexadecyl-2-hydroxy-4-(4-methylphenyl)-4-oxo-2-butenamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-Hexadecyl-2-hydroxy-4-oxo-4-(p-tolyl)but-2-enamide",NA,"CCCCCCCCCCCCCCCCNC(=O)C(=O)C=C(C1=CC=C(C=C1)C)O","STDBIHPAQHXYTN-LVWGJNHUSA-N",5465795,NA,"PDBC42418","662437","Present",NA,NA
+"42419","N-Hexadecylnaphthalen-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hexadecylamine, N-1-naphthyl-",NA,"CCCCCCCCCCCCCCCCNC1=CC=CC2=CC=CC=C21","GFXJOXPGAICPDQ-UHFFFAOYSA-N",238007,NA,"PDBC42419","42125","Present",NA,NA
+"42420","N-Hexanoyl-N'-(1H-tetraazol-5-yl)thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hexanoyl-N'-(1H-tetraazol-5-yl)thiourea",NA,"CCCCCC(=O)NC(=S)NC1=NNN=N1","FDKQZWANWYSEPO-UHFFFAOYSA-N",3004523,NA,"PDBC42420","658263","Present",NA,NA
+"42421","N-Hexyl-2-(1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hexyl-2-(1-hydroxy-4a,8-dimethyl-7-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)propanamide",NA,"CCCCCCNC(=O)C(C)C1CCC2(C=CC(=O)C(=C2C1O)C)C","QRFOFKQJMULZHJ-UHFFFAOYSA-N",360736,NA,"PDBC42421","623075","Present",NA,NA
+"42422","N-Hexyl-5-(2,5-dihydroxybenzylamino)-2-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-[(2,5-dihydroxyphenyl)methylamino]-{N}-hexyl-2-hydroxy...",NA,"CCCCCCNC(=O)C1=C(C=CC(=C1)NCC2=C(C=CC(=C2)O)O)O","MFNPKZBKWKGSLK-UHFFFAOYSA-N",10406106,NA,"PDBC42422","798525","Present",NA,NA
+"42423","N-Hydroxy-2-((2-((2-(hydroxyamino)-2-iminoethyl)thio)ethyl)thio)ethanimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxy-2-((2-((2-(hydroxyamino)-2-iminoethyl)thio)ethyl)thio)ethanimidamide",NA,"C(CSCC(=NO)N)SCC(=NO)N","ONJJEVFJJWXNPM-UHFFFAOYSA-N",9571433,NA,"PDBC42423","660418","Present",NA,NA
+"42424","N-Hydroxy-2-(1,3,4-thiadiazol-2-ylamino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3,4-thiadiazol-2-yl)-glycinohydroxamic acid",NA,"C1=NN=C(S1)NCC(=O)NO","KTBNMHODVFGJNL-UHFFFAOYSA-N",366891,NA,"PDBC42424","635951","Present",NA,NA
+"42425","N-Hydroxy-2-(4-methylphenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxy-2-(4-methylphenyl)-1-oxo-1,2-dihydro-4-isoquinolinecarboximidamide",NA,"CC1=CC=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=NO)N","KYELMGOGLTXDJH-UHFFFAOYSA-N",9571410,NA,"PDBC42425","653511","Present",NA,NA
+"42426","N-Hydroxy-2-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxy-2-methoxybenzamide",NA,"COC1=CC=CC=C1C(=O)NO","DGUKREATIVIORF-UHFFFAOYSA-N",388178,NA,"PDBC42426","682743","Present",NA,NA
+"42427","N-Hydroxy-3-(isopropylthio)-1,2,4-triazine-5-carboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxy-3-(isopropylthio)-1,2,4-triazine-5-carboximidamide",NA,"CC(C)SC1=NC(=CN=N1)C(=NO)N","FVWYMKCBEAGGGB-UHFFFAOYSA-N",135484741,NA,"PDBC42427","701732","Present",NA,NA
+"42428","N-Hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxy-4-[[1-(2-methoxyethyl)benzimidazol-2-yl]amino]benzamide",NA,"COCCN1C2=CC=CC=C2N=C1NC3=CC=C(C=C3)C(=O)NO","NETRZYYYLKYBFU-UHFFFAOYSA-N",49831244,NA,"PDBC42428","751166","Present",NA,NA
+"42429","N-Hydroxy-4-[[3-(4-methoxyphenyl)-2,4-dioxoquinazolin-1-yl]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-hydroxy-4-((3-(4-methoxyphenyl)-2,4-dioxo-3,4-dihydroq...",NA,"COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C(=O)NO","FJQFVYUHPDSGEB-UHFFFAOYSA-N",150172046,NA,"PDBC42429","787282","Present",NA,NA
+"42430","N-Hydroxy-4-oxochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxy-4-oxochromene-3-carboxamide",NA,"C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)NO","GOMPBCAIKGIQAK-UHFFFAOYSA-N",357326,NA,"PDBC42430","615576","Present",NA,NA
+"42431","N-Hydroxy-7-(9-methoxy-6,11-dioxoindeno[1,2-c]quinolin-5-yl)heptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-hydroxy-7-(9-methoxy-6,11-dioxo-6,11-dihydro-5H-indeno...",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4N(C3=O)CCCCCCC(=O)NO","SZXGEFJTMRNBAN-UHFFFAOYSA-N",155816846,NA,"PDBC42431","781405","Present",NA,NA
+"42432","N-Hydroxy-L-Canavanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxy-L-Canavanine",NA,"C(CONC(=NO)N)C(C(=O)O)N.C(=O)(C(F)(F)F)O","RGAMOWGGIYASRR-UHFFFAOYSA-N",24206031,NA,"PDBC42432","737741","Present",NA,NA
+"42433","N-Hydroxy-N,2-dimethylpropanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxy-N,2-dimethylpropanethioamide",NA,"CC(C)C(=S)N(C)O","XAVPCFLVHKSRGK-UHFFFAOYSA-N",371714,NA,"PDBC42433","646162","Present",NA,NA
+"42434","N-Hydroxy-N-[(1R)-3beta-(6-amino-9H-purine-9-yl)cyclopentane-1beta-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1R,3S)-3-(6-Aminopurin-9-yl)cyclopentyl]-N-hydroxyacetamide",NA,"CC(=O)N(C1CCC(C1)N2C=NC3=C(N=CN=C32)N)O","RFRSQFDNWNEJPX-DTWKUNHWSA-N",395998,NA,"PDBC42434","701170","Present",NA,NA
+"42435","N-Hydroxy-N-methyl-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Mpaha",NA,"CN(C(=O)CC1=CC=CC=C1)O","ZFOUTGXGIQLWIT-UHFFFAOYSA-N",194437,NA,"PDBC42435","646163","Present",NA,NA
+"42436","N-Hydroxy-N-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DDSSLJHUWRMSSP-UHFFFAOYSA-N",NA,"CN(C(=O)C1=CC=CC=C1)O","DDSSLJHUWRMSSP-UHFFFAOYSA-N",371715,NA,"PDBC42436","646164","Present",NA,NA
+"42437","N-Hydroxy-N-methylbenzenecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxy-N-methylbenzenecarbothioamide",NA,"CN(C(=S)C1=CC=CC=C1)O","YUPPELVWCBEYPQ-UHFFFAOYSA-N",371711,NA,"PDBC42437","646159","Present",NA,NA
+"42438","N-Hydroxy-N-methylethanimidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646177",NA,"CC(=N)N(C)O.Cl","CZWAXHUOLIYZRG-UHFFFAOYSA-N",371731,NA,"PDBC42438","646177","Present",NA,NA
+"42439","N-Hydroxy-N-methylpropanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanethioamide, N-hydroxy-N-methyl-",NA,"CCC(=S)N(C)O","RUWZSNZMQDRXIR-UHFFFAOYSA-N",371713,NA,"PDBC42439","646161","Present",NA,NA
+"42440","N-Hydroxy-N-propan-2-ylbenzenecarboximidamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624723",NA,"CC(C)N(C(=N)C1=CC=CC=C1)O.Cl","COJWMMKVPZJJEC-UHFFFAOYSA-N",361544,NA,"PDBC42440","624723","Present",NA,NA
+"42441","N-Hydroxyethylaminomethylformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxyethylaminomethylformamide",NA,"C(CO)NCNC=O","PYAUJHYBRZTYIA-UHFFFAOYSA-N",384885,NA,"PDBC42441","675560","Present",NA,NA
+"42442","N-Hydroxyethylpiperazinoacetyl-partricin A dimethylaminoethylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-hydroxyethylpiperazinoacetyl-partricin A dimethylamino...",NA,"CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN5CCN(CC5)CCO)O","LWUPNPHIYBKDFV-XJGHSNDRSA-N",5472915,NA,"PDBC42442","722658","Present",NA,NA
+"42443","N-Hydroxymethyl myristamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Hydroxymethyl myristamide",NA,"CCCCCCCCCCCCCC(=O)NCO","DOYNOQOFAMHNEH-UHFFFAOYSA-N",362878,NA,"PDBC42443","627350","Present",NA,NA
+"42444","N-Hydroxynaphthalimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-hydroxynaphthalimide",NA,"C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)O","KTWCUGUUDHJVIH-UHFFFAOYSA-N",82263,NA,"PDBC42444","108691","Present",NA,NA
+"42445","N-Hydroxytetradecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Myristoyl hydroxamate",NA,"CCCCCCCCCCCCCC(=O)NO","XHKBEIYZVFBVAM-UHFFFAOYSA-N",366134,NA,"PDBC42445","634458","Present",NA,NA
+"42446","N-Isobutyl-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Isobutyl-2-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)acetamide",NA,"CC(C)CNC(=O)CN1C2=C(CCCC2)C3=CC=CC=C31","CPZQLIRXJJZHRV-UHFFFAOYSA-N",381583,NA,"PDBC42446","668374","Present",NA,NA
+"42447","N-Isobutyl-2-(2-phenyl-1H-indol-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-82096",NA,"CC(C)CNC(=O)CN1C2=CC=CC=C2C=C1C3=CC=CC=C3","UZAUBYOACBZTEI-UHFFFAOYSA-N",381973,NA,"PDBC42447","669283","Present",NA,NA
+"42448","N-Isobutyl-6-(4-methoxyphenyl)-2-hexen-4-ynamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Isobutyl-6-(4-methoxyphenyl)-2-hexen-4-ynamide",NA,"CC(C)CNC(=O)C=CC#CCC1=CC=C(C=C1)OC","VZUQSPWNQZCGLI-SOFGYWHQSA-N",5467348,NA,"PDBC42448","650974","Present",NA,NA
+"42449","N-Isobutyrylguanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637541",NA,"CC(C)C(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O","OXTYJSXVUGJSGM-UHFFFAOYSA-N",135468302,NA,"PDBC42449","637541","Present",NA,NA
+"42450","N-Isopentenyladenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"riboprine(usan)",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C","USVMJSALORZVDV-UHFFFAOYSA-N",266767,NA,"PDBC42450","105546","Present",NA,NA
+"42451","N-Isopropyl-2-(4-isopropyl-phenyl)-N-[3-(1-pyridin-2-yl-ethyl)-1H-inden-2-ylmethyl]-propionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Isopropyl-2-(4-isopropyl-phenyl)-N-[3-(1-pyridin-2-yl-...",NA,"CC(C)C1=CC=C(C=C1)C(C)C(=O)N(CC2=C(C3=CC=CC=C3C2)C(C)C4=CC=CC=N4)C(C)C","COQMASJCNVIULY-UHFFFAOYSA-N",60148330,NA,"PDBC42451","754147","Present",NA,NA
+"42452","N-Isopropyl-6-(methylthio)-1,2-[1,3]butadieno-3,5,7,10,10a-pentaaza-4-thiabenzo[f]azulene-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Methylsulfanyl-N-propan-2-yl-2-thia-4,6,10,11,18-pentazatetracyclo[9.7.0.03,8.012,17]octadeca-1(18),3,5,7,9,12,14,16-octaen-7-amine",NA,"CC(C)NC1=C2C=NN3C4=CC=CC=C4N=C3SC2=NC(=N1)SC","SOEYDQZQKFYYRB-UHFFFAOYSA-N",399937,NA,"PDBC42452","711089","Present",NA,NA
+"42453","N-Isopropyl-N'-phenyl-p-phenylenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-ip",NA,"CC(C)NC1=CC=C(C=C1)NC2=CC=CC=C2","OUBMGJOQLXMSNT-UHFFFAOYSA-N",7573,NA,"PDBC42453","41029","Present",NA,NA
+"42454","N-Mesityl-3-(trifluoromethyl)benzenesulfinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Mesityl-3-(trifluoromethyl)benzenesulfinamide",NA,"CC1=CC(=C(C(=C1)C)NS(=O)C2=CC=CC(=C2)C(F)(F)F)C","BMPSLHMGSNNHRY-UHFFFAOYSA-N",375381,NA,"PDBC42454","655052","Present",NA,NA
+"42455","N-Methoxy-1-(3,4,5-trimethoxyphenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxybenzaldehyde O-methyloxime",NA,"COC1=CC(=CC(=C1OC)OC)C=NOC","NUVWFJYZGTWHQS-KPKJPENVSA-N",9571350,NA,"PDBC42455","647360","Present",NA,NA
+"42456","N-Methoxy-N-methyloxolane-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DA-40665",NA,"CN(C(=O)C1CCCO1)OC","GNVRFBMUQOGBRH-UHFFFAOYSA-N",393385,NA,"PDBC42456","695218","Present",NA,NA
+"42457","N-Methoxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methoxyacetamide",NA,"CC(=O)NOC","SOZXKDHEWJXRKV-UHFFFAOYSA-N",138591,NA,"PDBC42457","609817","Present",NA,NA
+"42458","N-Methyl laudanosinium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-methyl laudanosinium iodide",NA,"C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)C.[I-]","SANXPMGEBDLSJX-UHFFFAOYSA-M",11271970,NA,"PDBC42458","98541","Present",NA,NA
+"42459","N-Methyl(1-naphthyl)-N-(1-naphthylmethyl)methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACN-034504",NA,"CN(CC1=CC=CC2=CC=CC=C21)CC3=CC=CC4=CC=CC=C43","ZDYZHECSPYIYSS-UHFFFAOYSA-N",223156,NA,"PDBC42459","10424","Present",NA,NA
+"42460","N-Methyl-1,5-bis(4-cyanophenoxy)-3-aza-pentane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methyl-1,5-bis(4-cyanophenoxy)-3-aza-pentane",NA,"CN(CCOC1=CC=C(C=C1)C#N)CCOC2=CC=C(C=C2)C#N","DECQHPXHXYDZIQ-UHFFFAOYSA-N",45028719,NA,"PDBC42460","743907","Present",NA,NA
+"42461","N-Methyl-1-[(acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-1-[(acetylphenylamino)methyl]-5-oxopyrrolidine-2-carboxamide",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)NC)C2=CC=CC=C2","FHXMPJHPBMAALP-UHFFFAOYSA-N",389185,NA,"PDBC42461","684869","Present",NA,NA
+"42462","N-Methyl-1-[[1-[(2,3-dihydroxypropoxy)methyl]-1H-1,2,3-triazole-4-yl]methyl]-1H-pyrazolo[3,4-d]pyrimidine-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[[4-[(4-Methylaminopyrazolo[5,4-d]pyrimidin-1-yl)methyl]triazol-1-yl]methoxy]propane-1,2-diol",NA,"CNC1=C2C=NN(C2=NC=N1)CC3=CN(N=N3)COCC(CO)O","JDCZHTDQHYAHFZ-UHFFFAOYSA-N",398132,NA,"PDBC42462","707559","Present",NA,NA
+"42463","N-Methyl-1-methylsulfanyl-1-phenylmethanimine oxide;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646174",NA,"C[N+](=C(C1=CC=CC=C1)SC)[O-].I","FXGDTQFBQPKEKR-KVVVOXFISA-N",5466974,NA,"PDBC42463","646174","Present",NA,NA
+"42464","N-Methyl-1-methylsulfanylpropan-1-imine oxide;hydroiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646176",NA,"CCC(=[N+](C)[O-])SC.I","LLFLZJTUXAVODM-YSMBQZINSA-N",13716574,NA,"PDBC42464","646176","Present",NA,NA
+"42465","N-Methyl-1H-imidazo[4,5-d]pyridazin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-1H-imidazo[4,5-d]pyridazin-4-amine",NA,"CNC1=C2C(=CN=N1)NC=N2","BNGFPYLLQCQZQF-UHFFFAOYSA-N",5469586,NA,"PDBC42465","690570","Present",NA,NA
+"42466","N-Methyl-2,4-dinitro-N-[(E)-2-thienylmethyleneamino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-2,4-dinitro-N-[(E)-2-thienylmethyleneamino]aniline",NA,"CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=CS2","HWPIJNKSDKAVKJ-MDWZMJQESA-N",9555935,NA,"PDBC42466","658007","Present",NA,NA
+"42467","N-Methyl-2,4-dinitro-N-[(E)-4-quinolylmethyleneamino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-2,4-dinitro-N-[(E)-4-quinolylmethyleneamino]aniline",NA,"CN(C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])N=CC2=CC=NC3=CC=CC=C23","YYNFVWDJRITFOT-YBFXNURJSA-N",9555805,NA,"PDBC42467","630681","Present",NA,NA
+"42468","N-Methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methyl-2-(2-hydroxybutyl)-6-(2-hydroxypentyl)-piperidine",NA,"CCCC(CC1CCCC(N1C)CC(CC)O)O","BXDMRIPPLXNONS-CBBWQLFWSA-N",398123,NA,"PDBC42468","707546","Present",NA,NA
+"42469","N-Methyl-2-(2-methyl-3-oxo-1,2-benzothiazol-1-ium-1-yl)benzamide;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methyl-1-{2-[(methylamino)carbonyl]phenyl}-3-oxo-2,3-dihydrobenzo[d]isothiazol-1-ium chloride",NA,"CNC(=O)C1=CC=CC=C1[S+]2C3=CC=CC=C3C(=O)N2C.[Cl-]","LZVQSIALUADTFU-UHFFFAOYSA-N",397816,NA,"PDBC42469","706392","Present",NA,NA
+"42470","N-Methyl-2-(3-methyl-4-oxo-2-thionia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)benzamide;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-2-(3-methyl-4-oxo-2-thionia-3-azatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-yl)benzamide;chloride",NA,"CNC(=O)C1=CC=CC=C1[S+]2C3=CC=CC4=C3C(=CC=C4)C(=O)N2C.[Cl-]","ANOVRIBULLZDHV-UHFFFAOYSA-N",397819,NA,"PDBC42470","706394","Present",NA,NA
+"42471","N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-2-(4-methyl-3,5-dioxo-1-piperazinyl)acetamide",NA,"CNC(=O)CN1CC(=O)N(C(=O)C1)C","KFDAHTSXWOSQHC-UHFFFAOYSA-N",373589,NA,"PDBC42471","650042","Present",NA,NA
+"42472","N-Methyl-2-(4-methylene-3-oxa-1-azaspiro[4.5]dec-1-en-2-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-2-(4-methylene-3-oxa-1-azaspiro[4.5]dec-1-en-2-yl)aniline",NA,"CNC1=CC=CC=C1C2=NC3(CCCCC3)C(=C)O2","HYFDNBRHYSSQGB-UHFFFAOYSA-N",377506,NA,"PDBC42472","658991","Present",NA,NA
+"42473","N-Methyl-2-[5-(3,4,5-trimethoxyphenyl)pyrido[3,4-c][1,9]phenanthrolin-12-yl]oxyethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(N-Methyl-2-aminoethoxy)-11-(3,4,5-trimethoxyphenyl)py...",NA,"CNCCOC1=NC2=C3C=NC=CC3=CC(=C2C4=C1C=NC=C4)C5=CC(=C(C(=C5)OC)OC)OC","QOWMPMYLRAWRMR-UHFFFAOYSA-N",155806130,NA,"PDBC42473","798823","Present",NA,NA
+"42474","N-Methyl-2-nitro-5-hydroxymethylimidazolyl methylcarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methyl-2-nitro-5-hydroxymethylimidazolyl methylcarbonate",NA,"CNC(=O)OCC1=CN=C(N1C)[N+](=O)[O-]","XRSCTFILGIZFCW-UHFFFAOYSA-N",384841,NA,"PDBC42474","675359","Present",NA,NA
+"42475","N-Methyl-2-nitro-N-p-tolyl-benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-2-nitro-N-p-tolyl-benzenesulfonamide",NA,"CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","KOXMAUXVIHRQAH-UHFFFAOYSA-N",383161,NA,"PDBC42475","671274","Present",NA,NA
+"42476","N-Methyl-2-nitro-N-phenylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK099736",NA,"CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]","HMMKUMATMNDVHN-UHFFFAOYSA-N",383159,NA,"PDBC42476","671272","Present",NA,NA
+"42477","N-Methyl-3,4-diphenyl-N-(propylcarbamoyl)-3H-diazete-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-3,4-diphenyl-N-(propylcarbamoyl)-3H-diazete-2-carboxamide",NA,"CCCNC(=O)N(C)C(=O)N1C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3","GONNRUTYCLLGEZ-UHFFFAOYSA-N",391629,NA,"PDBC42477","691115","Present",NA,NA
+"42478","N-Methyl-3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c]-1,2,4-triazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-3-phenyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide",NA,"CNC(=O)C1CCC2=NN=C(N12)C3=CC=CC=C3","ZYLKEMXXIHSPJZ-UHFFFAOYSA-N",366805,NA,"PDBC42478","635577","Present",NA,NA
+"42479","N-Methyl-3-piperidyl phenylcyclopentylglycolate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzeneacetic acid, .alpha.-cyclopentyl-.alpha.-hydroxy-...",NA,"CN1CCCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl","YQOTZDDWSJUZCB-UHFFFAOYSA-N",24194749,NA,"PDBC42479","172247","Present",NA,NA
+"42480","N-Methyl-4-(5-methyl-1,3-benzoxazol-2-yl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-4-(5-methyl-1,3-benzoxazol-2-yl)aniline",NA,"CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC","HAPZOPZONJFLJA-UHFFFAOYSA-N",401585,NA,"PDBC42480","715280","Present",NA,NA
+"42481","N-Methyl-4-(quinolin-5-yldiazenyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-4-[(E)-quinolin-5-yldiazenyl]aniline",NA,"CNC1=CC=C(C=C1)N=NC2=CC=CC3=C2C=CC=N3","LJGFJKWOMPUOBR-UHFFFAOYSA-N",261763,NA,"PDBC42481","94703","Present",NA,NA
+"42482","N-Methyl-4-[(4-methylphenyl)sulfanylmethyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-4-[(4-methylphenyl)sulfanylmethyl]aniline",NA,"CC1=CC=C(C=C1)SCC2=CC=C(C=C2)NC","FNGCRYAMOUMXPF-UHFFFAOYSA-N",259517,NA,"PDBC42482","89488","Present",NA,NA
+"42483","N-Methyl-4-[[2-[[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]carbamoylamino]-1,3-benzothiazol-6-yl]oxy]pyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methyl-4-((2-(3-(4-(morpholinomethyl)-3-(trifluorometh...",NA,"CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)NC4=CC(=C(C=C4)CN5CCOCC5)C(F)(F)F","FTEYGPYUYGUTHW-UHFFFAOYSA-N",142736776,NA,"PDBC42483","781170","Present",NA,NA
+"42484","N-Methyl-4-nitro-N-[(E)-8-quinolylmethyleneamino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-4-nitro-N-[(E)-8-quinolylmethyleneamino]aniline",NA,"CN(C1=CC=C(C=C1)[N+](=O)[O-])N=CC2=CC=CC3=C2N=CC=C3","FZIRYANKUWCWTD-XDHOZWIPSA-N",9555796,NA,"PDBC42484","629871","Present",NA,NA
+"42485","N-Methyl-4-nitro-N-phenylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK062466",NA,"CN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","RAECVXWPFBWHOJ-UHFFFAOYSA-N",383160,NA,"PDBC42485","671273","Present",NA,NA
+"42486","N-Methyl-4-nitrobenzanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-4-nitrobenzanilide",NA,"CN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]","MVDGHRIRJFXONZ-UHFFFAOYSA-N",265160,NA,"PDBC42486","100989","Present",NA,NA
+"42487","N-Methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-triazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-5-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-triazole-4-carboxamide",NA,"CNC(=O)C1=NNN=C1SC2=C(N=CN2C)[N+](=O)[O-]","QWHWLFDTKTVITF-UHFFFAOYSA-N",389968,NA,"PDBC42487","686670","Present",NA,NA
+"42488","N-Methyl-5-(methylthio)-N-phenyl-2-thioxo-1,3-dithiole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-5-(methylthio)-N-phenyl-2-thioxo-1,3-dithiole-4-carboxamide",NA,"CN(C1=CC=CC=C1)C(=O)C2=C(SC(=S)S2)SC","ZGIWUXOGFIXWFI-UHFFFAOYSA-N",376206,NA,"PDBC42488","656744","Present",NA,NA
+"42489","N-Methyl-5-[8-[5-(methylamino)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-5-[8-[5-(methylamino)-1,3,4-oxadiazol-2-yl]octyl]-1,3,4-oxadiazol-2-amine",NA,"CNC1=NN=C(O1)CCCCCCCCC2=NN=C(O2)NC","OAJANXSNPYVORD-UHFFFAOYSA-N",394068,NA,"PDBC42489","697186","Present",NA,NA
+"42490","N-Methyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-5-phenyl-N-(5-phenyl-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-yl)-[1,3]thiazolo[2,3-b][1,3,4]thiadiazol-4-ium-2-amine;ditetrafluoroborate",NA,NA,NA,NA,NA,"PDBC42490","650975","Present",NA,NA
+"42491","N-Methyl-6-pyrrolidin-1-yl-2-[3-(trifluoromethoxy)phenyl]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799917///NSC801798///NSC803404",NA,"CNC1=CC(=NC2=C1C=C(C=C2)N3CCCC3)C4=CC(=CC=C4)OC(F)(F)F","WPWUOJWDZBZUCT-UHFFFAOYSA-N",155809570,NA,"PDBC42491","799917///801798///803404","Present",NA,NA
+"42492","N-Methyl-N'-(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)-N,N'-diphenylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N'-(4-methyl-5,6-dihydro-4H-1,3-thiazin-2-yl)-N,N'-diphenylurea",NA,"CC1CCSC(=N1)N(C2=CC=CC=C2)C(=O)N(C)C3=CC=CC=C3","SXXAUDGOZGWCAA-UHFFFAOYSA-N",371463,NA,"PDBC42492","645736","Present",NA,NA
+"42493","N-Methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N'-(methylsulfamoyl)benzenesulfonohydrazide",NA,"CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC=CC=C1","CWSXNSRRXCMBID-UHFFFAOYSA-N",370399,NA,"PDBC42493","643498","Present",NA,NA
+"42494","N-Methyl-N'-(methylsulfamoyl)naphthalene-2-sulfonohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N'-(methylsulfamoyl)naphthalene-2-sulfonohydrazide",NA,"CNS(=O)(=O)NN(C)S(=O)(=O)C1=CC2=CC=CC=C2C=C1","PTHCNCINJBCZSO-UHFFFAOYSA-N",370400,NA,"PDBC42494","643499","Present",NA,NA
+"42495","N-Methyl-N,N-bis(2-(4-((4-methylphenyl)sulfonyl)-1-piperazinyl)ethyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N,N-bis(2-(4-((4-methylphenyl)sulfonyl)-1-piperazinyl)ethyl)amine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CCN(C)CCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C","CJGDENRFUJLWPJ-UHFFFAOYSA-N",387901,NA,"PDBC42495","682132","Present",NA,NA
+"42496","N-Methyl-N-((3-oxo-3-phenylpropanoyl)oxy)-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-((3-oxo-3-phenylpropanoyl)oxy)-2-phenylacetamide",NA,"CN(C(=O)CC1=CC=CC=C1)OC(=O)CC(=O)C2=CC=CC=C2","LDEAWIUWCSRBBX-UHFFFAOYSA-N",371721,NA,"PDBC42496","646170","Present",NA,NA
+"42497","N-Methyl-N-((3-oxo-3-phenylpropanoyl)oxy)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-((3-oxo-3-phenylpropanoyl)oxy)acetamide",NA,"CC(=O)N(C)OC(=O)CC(=O)C1=CC=CC=C1","AQWDGONVMIYPJF-UHFFFAOYSA-N",371718,NA,"PDBC42497","646167","Present",NA,NA
+"42498","N-Methyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide",NA,"CN(C(=O)C1=CC=CS1)C(=S)N2CCN(CC2)C3=CC=CC=N3","NPWQYMIYZLJZDI-UHFFFAOYSA-N",376062,NA,"PDBC42498","656461","Present",NA,NA
+"42499","N-Methyl-N-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)-4-(2,6-trimethylcyclohex-1-enyl)butan-2-amine dioxalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methyl-N-(4-(3-(pyrrolidin-1-yl)propoxy)benzyl)-4-(2,6...",NA,"CC1=C(C(CCC1)(C)C)CCC(C)N(C)CC2=CC=C(C=C2)OCCCN3CCCC3.C(=O)(C(=O)O)O","FPVIBLUXSGOIKG-UHFFFAOYSA-N",54609096,NA,"PDBC42499","17652","Present",NA,NA
+"42500","N-Methyl-N-(4-(4-(methyl(methylsulfonyl)amino)benzoyl)phenyl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-(4-(4-(methyl(methylsulfonyl)amino)benzoyl)phenyl)methanesulfonamide",NA,"CN(C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C)S(=O)(=O)C","FCKGZRVIHQYHGA-UHFFFAOYSA-N",366056,NA,"PDBC42500","634231","Present",NA,NA
+"42501","N-Methyl-N-(4-methylphenyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-(4-methylphenyl)benzenesulfonamide",NA,"CC1=CC=C(C=C1)N(C)S(=O)(=O)C2=CC=CC=C2","NACTVLATIFTYCO-UHFFFAOYSA-N",383176,NA,"PDBC42501","671289","Present",NA,NA
+"42502","N-Methyl-N-(4-methylpiperazine-1-carbothioyl)furan-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-(4-methylpiperazine-1-carbothioyl)furan-2-carboxamide",NA,"CN1CCN(CC1)C(=S)N(C)C(=O)C2=CC=CO2","MEQPONJSLVFPEY-UHFFFAOYSA-N",376045,NA,"PDBC42502","656444","Present",NA,NA
+"42503","N-Methyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-(4-methylpiperazine-1-carbothioyl)thiophene-2-carboxamide",NA,"CN1CCN(CC1)C(=S)N(C)C(=O)C2=CC=CS2","UFMOXFXWZUWZBD-UHFFFAOYSA-N",376044,NA,"PDBC42503","656443","Present",NA,NA
+"42504","N-Methyl-N-(4-oxocycloheptyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Benzoyl physoperuvine",NA,"CN(C1CCCC(=O)CC1)C(=O)C2=CC=CC=C2","YSVIQIOQISDMHJ-UHFFFAOYSA-N",433867,NA,"PDBC42504","339138","Present",NA,NA
+"42505","N-Methyl-N-(4-phenylpiperazine-1-carbothioyl)furan-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-(4-phenylpiperazine-1-carbothioyl)furan-2-carboxamide",NA,"CN(C(=O)C1=CC=CO1)C(=S)N2CCN(CC2)C3=CC=CC=C3","COTRWEKTJLXBKS-UHFFFAOYSA-N",376054,NA,"PDBC42505","656453","Present",NA,NA
+"42506","N-Methyl-N-(4-phenylpiperazine-1-carbothioyl)thiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-(4-phenylpiperazine-1-carbothioyl)thiophene-2-carboxamide",NA,"CN(C(=O)C1=CC=CS1)C(=S)N2CCN(CC2)C3=CC=CC=C3","JMBURIJFBJPPFF-UHFFFAOYSA-N",376053,NA,"PDBC42506","656452","Present",NA,NA
+"42507","N-Methyl-N-(5,6,7,8-tetrahydroquinazoline-2-yl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methyl-(5,6,7,8-tetrahydroquinazolin-2-yl)amino)acetic acid",NA,"CN(CC(=O)O)C1=NC=C2CCCCC2=N1","UONCHHPFDJPYQK-UHFFFAOYSA-N",390578,NA,"PDBC42507","688101","Present",NA,NA
+"42508","N-Methyl-N-(5,6-dihydrobenzo[h]quinazoline-2-yl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5,6-Dihydrobenzo[h]quinazolin-2-yl-methyl-amino)acetic acid",NA,"CN(CC(=O)O)C1=NC=C2CCC3=CC=CC=C3C2=N1","OYMVIROINUYRPS-UHFFFAOYSA-N",390577,NA,"PDBC42508","688100","Present",NA,NA
+"42509","N-Methyl-N-(5,6-dihydroquinazoline-2-yl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5,6-Dihydroquinazolin-2-yl-methyl-amino)acetic acid",NA,"CN(CC(=O)O)C1=NC=C2CCC=CC2=N1","VAJPRSDWCRWYEN-UHFFFAOYSA-N",390579,NA,"PDBC42509","688102","Present",NA,NA
+"42510","N-Methyl-N-(5-nitro-1-oxido-quinolin-1-ium-6-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-(5-nitro-1-oxido-quinolin-1-ium-6-yl)acetamide",NA,"CC(=O)N(C)C1=C(C2=C(C=C1)[N+](=CC=C2)[O-])[N+](=O)[O-]","ZLACEXCSOPOXPP-UHFFFAOYSA-N",494961,NA,"PDBC42510","639642","Present",NA,NA
+"42511","N-Methyl-N-(5-phenyl-5H-[1]benzopyrano[4,3-d]pyrimidine-2-yl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Methyl-(5-phenyl-5H-chromeno[4,3-d]pyrimidin-2-yl)amino]acetic acid",NA,"CN(CC(=O)O)C1=NC=C2C(OC3=CC=CC=C3C2=N1)C4=CC=CC=C4","LSORZFJWEWYKSW-UHFFFAOYSA-N",390585,NA,"PDBC42511","688108","Present",NA,NA
+"42512","N-Methyl-N-(5H-[1]benzothiopyrano[4,3-d]pyrimidine-2-yl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Methyl-(5h-thiochromeno[4,3-d]pyrimidin-2-yl)amino)acetic acid",NA,"CN(CC(=O)O)C1=NC=C2CSC3=CC=CC=C3C2=N1","JTKPQFIJOSZJCA-UHFFFAOYSA-N",390576,NA,"PDBC42512","688099","Present",NA,NA
+"42513","N-Methyl-N-[(E)-quinolin-4-ylmethylideneamino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629869",NA,"CN(C1=CC=CC=C1)N=CC2=CC=NC3=CC=CC=C23","LFUFYHZBAHFGSW-UYRXBGFRSA-N",6179003,NA,"PDBC42513","629869","Present",NA,NA
+"42514","N-Methyl-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl)-4-(2-nitroimidazol-1H-yl)butylamine N-oxide hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methyl-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl)-4-(...",NA,"CC1=NC=C(N1CC[N+](C)(CCCCN2C=CN=C2[N+](=O)[O-])[O-])[N+](=O)[O-].[Cl-]","VWTJGBDJPBAQER-UHFFFAOYSA-M",54608581,NA,"PDBC42514","664151","Present",NA,NA
+"42515","N-Methyl-N-[4-[[2-methyl-2H-1,2,3-triazolo[4,5-f]quinolin-9-yl]amino]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-[4-[[2-methyl-2H-1,2,3-triazolo[4,5-f]quinolin-9-yl]amino]phenyl]acetamide",NA,"CC(=O)N(C)C1=CC=C(C=C1)NC2=C3C(=NC=C2)C=CC4=NN(N=C43)C","BRYVWPYPQUQEBP-UHFFFAOYSA-N",380470,NA,"PDBC42515","666066","Present",NA,NA
+"42516","N-Methyl-N-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-[[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]diazenyl]methanamine",NA,"CC1=C(C(=NN1)C(F)(F)F)N=NN(C)C","KLDRDWKGWGISSV-UHFFFAOYSA-N",275985,NA,"PDBC42516","123147","Present",NA,NA
+"42517","N-Methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-phenyl-6H-indolo[2,3-b]quinolin-11-amine",NA,"CN(C1=CC=CC=C1)C2=C3C4=CC=CC=C4NC3=NC5=CC=CC=C52","NONZZZCPMXETAB-UHFFFAOYSA-N",24203280,NA,"PDBC42517","727482","Present",NA,NA
+"42518","N-Methyl-N-phenylbenzenecarboximidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-phenylbenzenecarboximidamide",NA,"CN(C1=CC=CC=C1)C(=N)C2=CC=CC=C2","BKJFKLRVGOPJDG-UHFFFAOYSA-N",361538,NA,"PDBC42518","624719","Present",NA,NA
+"42519","N-Methyl-N-phenylpyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARONIS010475",NA,"CN(C1=CC=CC=C1)C(=O)C2=CC=NC=C2","IFYISVHCTQWKJB-UHFFFAOYSA-N",307181,NA,"PDBC42519","204976","Present",NA,NA
+"42520","N-Methyl-S,S-diphenylsulfoximine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-S,S-diphenylsulfoximine",NA,"CN=S(=O)(C1=CC=CC=C1)C2=CC=CC=C2","ICURXVAHBJXJLT-UHFFFAOYSA-N",374284,NA,"PDBC42520","651803","Present",NA,NA
+"42521","N-Methyl-bis,3'-(2-nitroimidazol-1H-yl)propylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-bis,3,3'-(2-nitroimidazol-1H-yl)propylamine",NA,"CN(CCCN1C=CN=C1[N+](=O)[O-])CCCN2C=CN=C2[N+](=O)[O-].OS(=O)(=O)O","LDAHQHKGMVXFPE-UHFFFAOYSA-N",379960,NA,"PDBC42521","665155","Present",NA,NA
+"42522","N-Methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(2-ben zylthio-4-chloro-5-methylbenzenesulfonyl)-guanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(2...",NA,"CC1=CC(=C(C=C1Cl)SCC2=CC=CC=C2)S(=O)(=O)N=C(NNC)N=CC3=CC=C(S3)[N+](=O)[O-]","UGQREAFUSDFXAN-WYMPLXKRSA-N",9572730,NA,"PDBC42522","724904","Present",NA,NA
+"42523","N-Methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(4-chl oro-2-ethoxycarbonyl-methylthio-5-methylbenzenesulfonyl)guan idine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methylamino-N'-[(5-nitro-2-thienyl)methylidene]-N''-(4...",NA,"CCOC(=O)CSC1=C(C=C(C(=C1)Cl)C)S(=O)(=O)N=C(NNC)N=CC2=CC=C(S2)[N+](=O)[O-]","DBHLRJKBRWFPKN-ZVBGSRNCSA-N",11785930,NA,"PDBC42523","726723","Present",NA,NA
+"42524","N-Methylen-(methoxycarbonyl)-7alpha,2',4',5'-tetraoxacyclo hexane)-3'spirocyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methylen-(methoxycarbonyl)-7.alpha.,12.alpha.-diacetox...",NA,"CC(CCC(=O)NCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","LAZMWWKUMGPAOG-AEWJLTDLSA-N",404154,NA,"PDBC42524","720294","Present",NA,NA
+"42525","N-Methylformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"METHYLFORMAMIDE",NA,"CNC=O","ATHHXGZTWNVVOU-UHFFFAOYSA-N",31254,NA,"PDBC42525","3051","Present",NA,NA
+"42526","N-Methyliminodiacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mida",NA,"CN(CC(=O)O)CC(=O)O","XWSGEVNYFYKXCP-UHFFFAOYSA-N",20441,NA,"PDBC42526","11773","Present",NA,NA
+"42527","N-Methylpiperazinoacetyl-partricin A dimethylaminoethylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methylpiperazinoacetyl-partricin A dimethylaminoethyla...",NA,"CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)OC4C(C(C(C(O4)C)O)NC(=O)CN5CCN(CC5)C)O","QLRLSJWJNUKXJI-HFMJYASESA-N",5472916,NA,"PDBC42527","722659","Present",NA,NA
+"42528","N-Methylpiperazinyl amide of 7-methyl-3-phenyl-1-[2-hydroxy-3-(4-(2-pyrimidinyl)-1-pipera zinyl)propyl]-2,2,3,4-terahydropyrido[2,3-d]pyrimi dine-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methylpiperazinyl amide of 7-methyl-3-phenyl-1-[2-hydr...",NA,"CC1=CC(=C2C(=N1)N(C(=O)N(C2=O)C3=CC=CC=C3)CC(CN4CCN(CC4)C5=NC=CC=N5)O)C(=O)N6CCN(CC6)C","LQCRPBBMKBRUFK-UHFFFAOYSA-N",24206049,NA,"PDBC42528","737788","Present",NA,NA
+"42529","N-Methylthioacridone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CKLXEMOWJOCGGZ-UHFFFAOYSA-N",NA,"CN1C2=CC=CC=C2C(=S)C3=CC=CC=C31","CKLXEMOWJOCGGZ-UHFFFAOYSA-N",327442,NA,"PDBC42529","302575","Present",NA,NA
+"42530","N-Myristoyl glycinal diethylacetal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Myristoyl glycinal diethylacetyl",NA,"CCCCCCCCCCCCCC(=O)NCC(OCC)OCC","ODPWRMSNGMQQAL-UHFFFAOYSA-N",122090,NA,"PDBC42530","623914","Present",NA,NA
+"42531","N-N'-Bis[(2S,4-epoxy-2-(3-methoxy-5-methyl-1-naphthoyloxy)-3-methylbutanoyl]propane-1,3-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-N'-Bis[(2S,3S)-3,4-epoxy-2-(3-methoxy-5-methyl-1- naph...",NA,"CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)NCCCNC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC)C6(CO6)C)OC","NPHMZOIQEXPIQN-MXENJXIJSA-N",24204576,NA,"PDBC42531","732223","Present",NA,NA
+"42532","N-Naphthalen-2-ylpiperidine-1-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Naphthalen-2-ylpiperidine-1-sulfonamide",NA,"C1CCN(CC1)S(=O)(=O)NC2=CC3=CC=CC=C3C=C2","VJAJDDADDQYMMK-UHFFFAOYSA-N",224605,NA,"PDBC42532","13241","Present",NA,NA
+"42533","N-Nitro-3-ethyl-3-(nitrooxy)azetidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Nitro-3-ethyl-3-(nitrooxy)azetidine",NA,"CCC1(CN(C1)[N+](=O)[O-])O[N+](=O)[O-]","YBNAPOXGHFUUGH-UHFFFAOYSA-N",385837,NA,"PDBC42533","677234","Present",NA,NA
+"42534","N-Nonanoyl loline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Nonanoyl loline",NA,"CCCCCCCCC(=O)N(C)C1C2CN3C1C(O2)CC3","PMHCOLWLJNQPMD-UHFFFAOYSA-N",361060,NA,"PDBC42534","623834","Present",NA,NA
+"42535","N-Nonyl-3,4-dihydroxycinnamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-nonyl-3,4-dihydroxycinnamide",NA,"CCCCCCCCCNC(=O)C=CC1=CC(=C(C=C1)O)O","BAIKPLYLOVAEGO-ZRDIBKRKSA-N",11551263,NA,"PDBC42535","734303","Present",NA,NA
+"42536","N-Nonyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]dodecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Nonyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]dodecanamide",NA,"CCCCCCCCCCCC(=O)N(CCCCCCCCC)CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O","UGDXXKVRBAUASK-UHFFFAOYSA-N",389648,NA,"PDBC42536","685990","Present",NA,NA
+"42537","N-Nonyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]tetradecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Nonyl-N-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]tetradecanamide",NA,"CCCCCCCCCCCCCC(=O)N(CCCCCCCCC)CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O","ZIOMXJVMUJLTJP-UHFFFAOYSA-N",389649,NA,"PDBC42537","685991","Present",NA,NA
+"42538","N-Nonylnonan-1-amine--hydrogen bromide (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Nonylnonan-1-amine;hydrobromide",NA,"CCCCCCCCCNCCCCCCCCC.Br","KUMCQAWWBNEIRC-UHFFFAOYSA-N",24181211,NA,"PDBC42538","6813","Present",NA,NA
+"42539","N-Phenethyltriphenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenethyltriphenylacetamide",NA,"C1=CC=C(C=C1)CCNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","SFKTYTKEYBNZLR-UHFFFAOYSA-N",11349856,NA,"PDBC42539","730690","Present",NA,NA
+"42540","N-Phenyl-2-(2-phenylvinyl)-1-naphthalenamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-2-(2-phenylvinyl)-1-naphthalenamine",NA,"C1=CC=C(C=C1)C=CC2=C(C3=CC=CC=C3C=C2)NC4=CC=CC=C4","IFRHMPNZNUXBHQ-FOCLMDBBSA-N",5387657,NA,"PDBC42540","625582","Present",NA,NA
+"42541","N-Phenyl-2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)ethanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-2-(3-phenyl-4,5-bis(phenylimino)-1,3-thiazolidin-2-ylidene)ethanethioamide",NA,"C1=CC=C(C=C1)NC(=S)C=C2N(C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)S2)C5=CC=CC=C5","CSEXUSPPVBOWEZ-NCYFEJAWSA-N",5468533,NA,"PDBC42541","671368","Present",NA,NA
+"42542","N-Phenyl-2-(4-oxothiazolidine-2-ylidene)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637440",NA,"C1C(=O)NC(=CC(=O)NC2=CC=CC=C2)S1","BBDQBDCUDIEPIZ-WDZFZDKYSA-N",6516716,NA,"PDBC42542","637440","Present",NA,NA
+"42543","N-Phenyl-2-(phenylimino)-2H-1,4-benzothiazin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-2-(phenylimino)-2H-1,4-benzothiazin-3-amine",NA,"C1=CC=C(C=C1)NC2=NC3=CC=CC=C3SC2=NC4=CC=CC=C4","ISCMDEIRBRBVTR-UHFFFAOYSA-N",383309,NA,"PDBC42543","671422","Present",NA,NA
+"42544","N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-2-(pyridine-2-carbonyl)hydrazine-1-carbothioamide",NA,"C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CC=N2","JJHSYWHPMJELRP-UHFFFAOYSA-N",5380527,NA,"PDBC42544","98923","Present",NA,NA
+"42545","N-Phenyl-2-pyridinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiopicolinanilide",NA,"C1=CC=C(C=C1)NC(=S)C2=CC=CC=N2","HOMILEBHBIPJEZ-UHFFFAOYSA-N",759327,NA,"PDBC42545","45291","Present",NA,NA
+"42546","N-Phenyl-2-thioxo-1-imidazolidinecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-2-thioxo-1-imidazolidinecarbothioamide",NA,"C1CN(C(=S)N1)C(=S)NC2=CC=CC=C2","NDCHBIWASCMKRO-UHFFFAOYSA-N",3005452,NA,"PDBC42546","704173","Present",NA,NA
+"42547","N-Phenyl-2-thioxo-1-imidazolidinecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-2-thioxo-1-imidazolidinecarboxamide",NA,"C1CN(C(=S)N1)C(=O)NC2=CC=CC=C2","WIACBJJIIPFHJK-UHFFFAOYSA-N",3005454,NA,"PDBC42547","704175","Present",NA,NA
+"42548","N-Phenyl-3,4-trichlorobut-3-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-phenyl-3,4,4-trichlorobut-3-enamide",NA,"C1=CC=C(C=C1)NC(=O)CC(=C(Cl)Cl)Cl","KWLWWHKGDSOEHJ-UHFFFAOYSA-N",405834,NA,"PDBC42548","723520","Present",NA,NA
+"42549","N-Phenyl-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N-phenyl-3-(3,4,5-trimethoxystyryl)pyridin-2-amine",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=C(N=CC=C2)NC3=CC=CC=C3","CMNSTKGQSDKOAD-QXMHVHEDSA-N",155808312,NA,"PDBC42549","761393","Present",NA,NA
+"42550","N-Phenyl-4-[(1Z,4Z,9Z,15Z)-10,15,20-tris[4-(phenylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-4-[10,15,20-tris[4-(phenylsulfamoyl)phenyl]-21,23-dihydroporphyrin-5-yl]benzenesulfonamide",NA,"C1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)C3=C4C=CC(=C(C5=NC(=C(C6=CC=C(N6)C(=C7C=CC3=N7)C8=CC=C(C=C8)S(=O)(=O)NC9=CC=CC=C9)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1)C=C5)C1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=C1)N4","OYXDAAHXOLWHHI-UHFFFAOYSA-N",16129816,NA,"PDBC42550","681456","Present",NA,NA
+"42551","N-Phenyl-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-5-(piperidin-1-ylmethyl)thiophene-2-carbothioamide",NA,"C1CCN(CC1)CC2=CC=C(S2)C(=S)NC3=CC=CC=C3","QQLZARPXTMEXSR-UHFFFAOYSA-N",5471263,NA,"PDBC42551","710020","Present",NA,NA
+"42552","N-Phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-furamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-furamide",NA,"C1CN(CCN1C2=CC=CC=N2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CO4","HMQRTXSLXIFJAB-UHFFFAOYSA-N",376069,NA,"PDBC42552","656468","Present",NA,NA
+"42553","N-Phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-N-((4-(2-pyridinyl)-1-piperazinyl)carbothioyl)-2-thiophenecarboxamide",NA,"C1CN(CCN1C2=CC=CC=N2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CS4","BSGNAACRENBMGR-UHFFFAOYSA-N",376068,NA,"PDBC42553","656467","Present",NA,NA
+"42554","N-Phenyl-N-((4-phenyl-1-piperazinyl)carbothioyl)-2-furamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phenyl-N-((4-phenyl-1-piperazinyl)carbothioyl)-2-furamide",NA,"C1CN(CCN1C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CO4","KQACBVYEFJNKBG-UHFFFAOYSA-N",376060,NA,"PDBC42554","656459","Present",NA,NA
+"42555","N-Phenyl-N-(3,4,5-trimethoxybenzoyl)piperidine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VU0502245-1",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=O)N3CCCCC3","VLLDDPRJCDKLOP-UHFFFAOYSA-N",395681,NA,"PDBC42555","700465","Present",NA,NA
+"42556","N-Phenyl-N-(4-phenylpiperazine-1-carbothioyl)thiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AO-476/43305923",NA,"C1CN(CCN1C2=CC=CC=C2)C(=S)N(C3=CC=CC=C3)C(=O)C4=CC=CS4","GHOMTOKRYXRAQH-UHFFFAOYSA-N",376059,NA,"PDBC42556","656458","Present",NA,NA
+"42557","N-Phenyl-N-(thiophene-2-carbonyl)piperidine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F2843-0140",NA,"C1CCN(CC1)C(=O)N(C2=CC=CC=C2)C(=O)C3=CC=CS3","UVOZQWBNNOMDKK-UHFFFAOYSA-N",391218,NA,"PDBC42557","690115","Present",NA,NA
+"42558","N-Phenyliminodiacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid,1-phenyliminodi-",NA,"C1=CC=C(C=C1)N(CC(=O)O)CC(=O)O","GQBWTAGIANQVGB-UHFFFAOYSA-N",136915,NA,"PDBC42558","105534","Present",NA,NA
+"42559","N-Phthaloyl-Phe-OH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Phthaloyl-Phe-OH",NA,"C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC=CC=C3C2=O","VAYRSTHMTWUHGE-UHFFFAOYSA-N",227754,NA,"PDBC42559","19760","Present",NA,NA
+"42560","N-Prolylemetine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-prolylemetine",NA,"CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)C6CCCN6)OC)OC)OC)OC","AWSZAKCFFVUULY-UHFFFAOYSA-N",266122,NA,"PDBC42560","103247","Present",NA,NA
+"42561","N-Propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"papp",NA,"CCCNC1=NC=NC2=C1C=NN2","MWZWHCLVRKJORL-UHFFFAOYSA-N",221086,NA,"PDBC42561","4928","Present",NA,NA
+"42562","N-Propyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Propyl-2-(1,2,3,4-tetrahydrocarbazol-9-yl)acetamide",NA,"CCCNC(=O)CN1C2=C(CCCC2)C3=CC=CC=C31","VMDGPBIDBHYYIW-UHFFFAOYSA-N",381582,NA,"PDBC42562","668373","Present",NA,NA
+"42563","N-Pyren-1-ylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Pyren-1-ylbenzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2","HYVGZKMKDJGPNL-UHFFFAOYSA-N",331581,NA,"PDBC42563","325268","Present",NA,NA
+"42564","N-Succinimidyl-6-(4'-azido-2'-nitrophenylamino)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SANPAH",NA,"C1CC(=O)N(C1=O)OC(=O)CCCCCNC2=C(C=C(C=C2)N=[N+]=[N-])[N+](=O)[O-]","NGXDNMNOQDVTRL-UHFFFAOYSA-N",3035550,NA,"PDBC42564","340005","Present",NA,NA
+"42565","N-Tert-Butyl-3-(3,3-dimethyltriazeno)-p-toluamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-153977",NA,"CC1=C(C=C(C=C1)C(=O)NC(C)(C)C)N=NN(C)C","YKBQWHVGBNVUCO-UHFFFAOYSA-N",374082,NA,"PDBC42565","651342","Present",NA,NA
+"42566","N-Tert-butyl-1-(4-ethylsulfanyl-5-methyl-2,3-dihydropyrrol-1-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Tert-butyl-1-(4-ethylsulfanyl-5-methyl-2,3-dihydropyrrol-1-yl)methanimine",NA,"CCSC1=C(N(CC1)C=NC(C)(C)C)C","SBWWBOQWXPHKEN-UHFFFAOYSA-N",370808,NA,"PDBC42566","644330","Present",NA,NA
+"42567","N-Tert-butyl-2-(cubane-1-carbonyl)-N-methyl-cubane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Tert-butyl-2-(cubane-1-carbonyl)-N-methyl-cubane-1-carboxamide",NA,"CC(C)(C)N(C)C(=O)C12C3C4C1C5C4C3C25C(=O)C67C8C9C6C1C9C8C71","KNSWQKCIZCNLFC-UHFFFAOYSA-N",369209,NA,"PDBC42567","640915","Present",NA,NA
+"42568","N-Tert-butyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Tert-butyl-2-methylsulfanyl-5H-chromeno[4,3-d]pyrimidin-5-amine",NA,"CC(C)(C)NC1C2=CN=C(N=C2C3=CC=CC=C3O1)SC","TVEWDVMIOOEXGH-UHFFFAOYSA-N",403280,NA,"PDBC42568","717975","Present",NA,NA
+"42569","N-Tert-butyl-3,4-diphenyl-3H-diazete-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Tert-butyl-3,4-diphenyl-3H-diazete-2-carboxamide",NA,"CC(C)(C)NC(=O)N1C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3","TYTIDWTYCZLJAJ-UHFFFAOYSA-N",391903,NA,"PDBC42569","691584","Present",NA,NA
+"42570","N-Tert-butyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Tert-butyl-6-[5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrol-3-yl]-6-oxohexanamide;hydrochloride",NA,"CC1=C(NC(=C1C(=O)CCCCC(=O)NC(C)(C)C)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","DPLHMZMFUDOTRJ-UXTSPRGOSA-N",135958528,NA,"PDBC42570","746821","Present",NA,NA
+"42571","N-Tert-butyl-N,2-dimethyl-4-(4-methylcubane-1-carbonyl)cubane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Tert-butyl-N,2-dimethyl-4-(4-methylcubane-1-carbonyl)cubane-1-carboxamide",NA,"CC12C3C4C1C5C2C3C45C(=O)C67C8C9C6C1(C7C8C91C(=O)N(C)C(C)(C)C)C","MVEPNNJIZFXFLP-UHFFFAOYSA-N",373489,NA,"PDBC42571","649896","Present",NA,NA
+"42572","N-Tert-butyl-N-hydroxypropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Tert-Butyl)-N-hydroxypropanamide",NA,"CCC(=O)N(C(C)(C)C)O","AVHOCNYIQRIQSN-UHFFFAOYSA-N",371717,NA,"PDBC42572","646166","Present",NA,NA
+"42573","N-Thioformylpiperidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Thioformylpiperidine",NA,"C1CCN(CC1)C=S","HXYGTCQCDHEVBB-UHFFFAOYSA-N",355711,NA,"PDBC42573","609816","Present",NA,NA
+"42574","N-Tosyl-L-phenylalanyl chloromethyl ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TPCK",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)CCl","MQUQNUAYKLCRME-INIZCTEOSA-N",439647,NA,"PDBC42574","727365","Present",NA,NA
+"42575","N-[(1,3-Dibromo-4-oxo-4,5,6,7-tetrahydrothieno[3,4-c]pyridin)-7-yl]-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1,3-Dibromo-4-oxo-6,7-dihydro-5H-thieno[3,4-c]pyridin-7-yl)-2,2,2-trifluoroacetamide",NA,"C1C(C2=C(SC(=C2C(=O)N1)Br)Br)NC(=O)C(F)(F)F","HVJAGTNSWWOBPY-UHFFFAOYSA-N",396458,NA,"PDBC42575","702431","Present",NA,NA
+"42576","N-[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-N-methylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1,3-Dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-N-methylacetamide",NA,"CC(=O)N(C)C=C1C(=O)N(C(=O)N(C1=O)C)C","VZHBQRQAWLXDDZ-UHFFFAOYSA-N",319882,NA,"PDBC42576","265533","Present",NA,NA
+"42577","N-[(17S)-12-Methoxy-21-methylsulfanyl-20-oxo-3,10-diazapentacyclo[12.10.0.02,11.04,9.018,24]tetracosa-1(14),2,4,6,8,10,12,18,21,23-decaen-17-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(17S)-12-Methoxy-21-methylsulfanyl-20-oxo-3,10-diazapentacyclo[12.10.0.02,11.04,9.018,24]tetracosa-1(14),2,4,6,8,10,12,18,21,23-decaen-17-yl]acetamide",NA,"CC(=O)NC1CCC2=C(C3=CC=C(C(=O)C=C13)SC)C4=NC5=CC=CC=C5N=C4C(=C2)OC","CADONKLZQMNOGF-SFHVURJKSA-N",395873,NA,"PDBC42577","700914","Present",NA,NA
+"42578","N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine",NA,"CC1(C2CCC1(C(C2)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3)C)C","SWPVCZZNMDUWHQ-FBMGVBCBSA-N",5470198,NA,"PDBC42578","698377","Present",NA,NA
+"42579","N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-3-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-3-methylaniline",NA,"CC1=CC(=CC=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","KUCLKSBXUXTJAS-BMRADRMJSA-N",5470195,NA,"PDBC42579","698374","Present",NA,NA
+"42580","N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-4-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-4-methylaniline",NA,"CC1=CC=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","FYPAPDAUYCGJPT-BMRADRMJSA-N",5470194,NA,"PDBC42580","698373","Present",NA,NA
+"42581","N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1E)-1-(1H-1,2,3-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]aniline",NA,"C1=CC=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","OCLTUCSDONCSGO-JQIJEIRASA-N",5470192,NA,"PDBC42581","698371","Present",NA,NA
+"42582","N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]naphthalen-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1E)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]naphthalen-1-amine",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3","VSPXEVNUVMEORI-CZIZESTLSA-N",5470197,NA,"PDBC42582","698376","Present",NA,NA
+"42583","N-[(1E)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-2-methoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1E)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-2-methoxyaniline",NA,"COC1=CC=CC=C1NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SCC2=CC=CC=C2","TXIWUDYFJSVMMI-FBMGVBCBSA-N",5470190,NA,"PDBC42583","698365","Present",NA,NA
+"42584","N-[(1E)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1E)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine",NA,"C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC3=C2N=CC=C3","YUVCABHDOCOMAT-CZIZESTLSA-N",5470189,NA,"PDBC42584","698363","Present",NA,NA
+"42585","N-[(1E)-3,4,4-Trichloro-2-nitro-1-(phenylthio)buta-1,3-dien-1-yl]quinolin-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1E)-3,4,4-Trichloro-2-nitro-1-(phenylthio)buta-1,3-dien-1-yl]quinolin-8-amine",NA,"C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC3=C2N=CC=C3","GSKGGZVXUKWQGF-HTXNQAPBSA-N",5470188,NA,"PDBC42585","698362","Present",NA,NA
+"42586","N-[(1E)-3,4,4-Trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]naphthalen-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1E)-3,4,4-Trichloro-2-nitro-1-phenylsulfanylbuta-1,3-dienyl]naphthalen-1-amine",NA,"C1=CC=C(C=C1)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC2=CC=CC3=CC=CC=C32","PFSXYRGYGJPBMO-CZIZESTLSA-N",5470199,NA,"PDBC42586","698378","Present",NA,NA
+"42587","N-[(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-2-nitro-4-piperidin-1-ylbuta-1,3-dienyl]-4-ethoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1E,3Z)-1-(Benzotriazol-1-yl)-3,4-dichloro-2-nitro-4-piperidin-1-ylbuta-1,3-dienyl]-4-ethoxyaniline",NA,"CCOC1=CC=C(C=C1)NC(=C(C(=C(N2CCCCC2)Cl)Cl)[N+](=O)[O-])N3C4=CC=CC=C4N=N3","SQFCVJBUWDTNMH-DQPVQCHKSA-N",5470203,NA,"PDBC42587","698382","Present",NA,NA
+"42588","N-[(1R,3S)-3-(6-Aminopurin-9-yl)cyclopentyl]hydroxylamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1R,3S)-3-(6-Aminopurin-9-yl)cyclopentyl]hydroxylamine;hydrochloride",NA,"C1CC(CC1NO)N2C=NC3=C(N=CN=C32)N.Cl","YEMRLXCHTVQQKA-HHQFNNIRSA-N",395992,NA,"PDBC42588","701167","Present",NA,NA
+"42589","N-[(1R,4R)-3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1R,4R)-3,3-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-yl]acetamide",NA,"CC(=O)NC12CCC(C1)C(C2=O)(C)C","PZVLQNSIZXMJGA-LDYMZIIASA-N",393603,NA,"PDBC42589","695797","Present",NA,NA
+"42590","N-[(1S)-1-(4-Fluorophenyl)-2-(4-methylphenyl)sulfanylethyl]-4-methoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1S)-1-(4-Fluorophenyl)-2-(4-methylphenyl)sulfanylethyl]-4-methoxyaniline",NA,"CC1=CC=C(C=C1)SCC(C2=CC=C(C=C2)F)NC3=CC=C(C=C3)OC","JLODQHZVECBJCT-JOCHJYFZSA-N",397138,NA,"PDBC42590","704537","Present",NA,NA
+"42591","N-[(1S)-1-(4-Fluorophenyl)-2-(4-methylphenyl)sulfinylethyl]-4-methoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1S)-1-(4-Fluorophenyl)-2-(4-methylphenyl)sulfinylethyl]-4-methoxyaniline",NA,"CC1=CC=C(C=C1)S(=O)CC(C2=CC=C(C=C2)F)NC3=CC=C(C=C3)OC","GBHLBMDMLCXEIW-XVPAFAEQSA-N",397137,NA,"PDBC42591","704536","Present",NA,NA
+"42592","N-[(1S)-1-[[(4-Methylphenyl)sulfinyl]methyl]-2,2,3,3,3-pentafluoropropyl]-4-methoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1S)-1-[[(4-Methylphenyl)sulfinyl]methyl]-2,2,3,3,3-pentafluoropropyl]-4-methoxyaniline",NA,"CC1=CC=C(C=C1)S(=O)CC(C(C(F)(F)F)(F)F)NC2=CC=C(C=C2)OC","BPPDYHUPUMBTGN-DKEDTHNGSA-N",397136,NA,"PDBC42592","704535","Present",NA,NA
+"42593","N-[(1S,4R)-4-(6-Aminopurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1S,4R)-4-(6-Aminopurin-9-yl)cyclopent-2-en-1-yl]hydroxylamine;hydrochloride",NA,"C1C(C=CC1N2C=NC3=C(N=CN=C32)N)NO.Cl","KIVDSSMCZDVCGP-HHQFNNIRSA-N",395994,NA,"PDBC42593","701168","Present",NA,NA
+"42594","N-[(1S,4R)-4-[6-(Cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]hydroxylamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1S,4R)-4-[6-(Cyclopropylamino)purin-9-yl]cyclopent-2-en-1-yl]hydroxylamine;hydrochloride",NA,"C1CC1NC2=C3C(=NC=N2)N(C=N3)C4CC(C=C4)NO.Cl","ZYIYEYWOENFRLD-UXQCFNEQSA-N",396000,NA,"PDBC42594","701172","Present",NA,NA
+"42595","N-[(1Z)-1,2-Dichloro-5-(3,5-dimethylpyrazol-1-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-nitropenta-1,3-dienyl]-4-nitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1Z)-1,2-Dichloro-5-(3,5-dimethylpyrazol-1-yl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]-3-nitropenta-1,3-dienyl]-4-nitroaniline",NA,"CC1=CC(=NN1CC(=C(C(=C(NC2=CC=C(C=C2)[N+](=O)[O-])Cl)Cl)[N+](=O)[O-])CN3C(=CC(=N3)C)C)C","ZCRIECJIDMIEKT-LSDHQDQOSA-N",5471291,NA,"PDBC42595","710282","Present",NA,NA
+"42596","N-[(1Z)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1Z)-1-(Benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]quinolin-8-amine",NA,"C1=CC=C2C(=C1)N=NN2C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NC3=CC=CC4=C3N=CC=C4","JAJVJYMIXNOWCB-ZPHPHTNESA-N",5470193,NA,"PDBC42596","698372","Present",NA,NA
+"42597","N-[(1Z)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-2,4-dimethylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(1Z)-1-Benzylsulfanyl-3,4,4-trichloro-2-nitrobuta-1,3-dienyl]-2,4-dimethylaniline",NA,"CC1=CC(=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SCC2=CC=CC=C2)C","ZWXCBAJPUCPGOR-ZPHPHTNESA-N",5470210,NA,"PDBC42597","698393","Present",NA,NA
+"42598","N-[(1Z)-2-(5-Chloro-2-hydroxyphenyl)-1-azavinyl]-N'-[(1Z)-2-(5-chloro-2-hydrox yphenyl)-1-azavinyl]decane-1,10-diamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-Bis[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]decanediamide",NA,"C1=CC(=C(C=C1Cl)C=NNC(=O)CCCCCCCCC(=O)NN=CC2=C(C=CC(=C2)Cl)O)O","BHAPPEFYHBANSQ-USYBVIFISA-N",135408550,NA,"PDBC42598","49490","Present",NA,NA
+"42599","N-[(2,4,5-Trimethylphenyl)carbamothioyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2,4,5-Trimethylphenyl)carbamothioyl]benzamide",NA,"CC1=CC(=C(C=C1C)NC(=S)NC(=O)C2=CC=CC=C2)C","RSEZAOSCSYFAMW-UHFFFAOYSA-N",2731106,NA,"PDBC42599","201485","Present",NA,NA
+"42600","N-[(2-Acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2-Acetamido-4-methyl-1,3-thiazol-5-yl)sulfonyl]-5,6-dihydrobenzo[b][1]benzazepine-11-carboxamide",NA,"CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC(=O)N2C3=CC=CC=C3CCC4=CC=CC=C42","KNKOOUJHJGHGGO-UHFFFAOYSA-N",398807,NA,"PDBC42600","708946","Present",NA,NA
+"42601","N-[(2-Hydroxy-1H-indol-3-yl)imino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2-Hydroxy-1H-indol-3-yl)imino]-2-(6-methyl-4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide",NA,"CC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)N=NC4=C(NC5=CC=CC=C54)O","UGSYOYZUPLXXIK-UHFFFAOYSA-N",403591,NA,"PDBC42601","718644","Present",NA,NA
+"42602","N-[(2-Methoxyphenyl)methyl]-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2-Methoxyphenyl)methyl]-1,1-dioxo-2-phenyl-4H-pyrido[4,3-e][1,2,4]thiadiazin-3-imine",NA,"COC1=CC=CC=C1CN=C2NC3=C(C=NC=C3)S(=O)(=O)N2C4=CC=CC=C4","IGXHNLOBPCUPAV-UHFFFAOYSA-N",135416672,NA,"PDBC42602","704083","Present",NA,NA
+"42603","N-[(22S)-13-Methoxy-18-methylsulfanyl-19-oxo-4,11-diazapentacyclo[12.10.0.03,12.05,10.015,21]tetracosa-1,3,5,7,9,11,13,15,17,20-decaen-22-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(22S)-13-Methoxy-18-methylsulfanyl-19-oxo-4,11-diazapentacyclo[12.10.0.03,12.05,10.015,21]tetracosa-1,3,5,7,9,11,13,15,17,20-decaen-22-yl]acetamide",NA,"CC(=O)NC1CCC2=CC3=NC4=CC=CC=C4N=C3C(=C2C5=CC=C(C(=O)C=C15)SC)OC","ISDVTNLHLWJWPY-SFHVURJKSA-N",395872,NA,"PDBC42603","700913","Present",NA,NA
+"42604","N-[(2R)-1-(Cycloheptylamino)-1-oxo-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]-6-(4-methylpiperazin-1-yl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(cycloheptylamino)-1-oxo-3-(((2E,6E)-3,7,11-trimeth...",NA,"CC(=CCCC(=CCCC(=CCSCC(C(=O)NC1CCCCCC1)NC(=O)CCCCCN2CCN(CC2)C)C)C)C","HWYGVMQKDCYELS-NSYJICCHSA-N",90677462,NA,"PDBC42604","777125","Present",NA,NA
+"42605","N-[(2R)-1-(Cyclohexylamino)-1-oxo-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanylpropan-2-yl]-6-(4-methylpiperazin-1-yl)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(cyclohexylamino)-1-oxo-3-(((2E,6E,10E)-3,7,11,15-t...",NA,"CC(=CCCC(=CCCC(=CCCC(=CCSCC(C(=O)NC1CCCCC1)NC(=O)CCCCCN2CCN(CC2)C)C)C)C)C","QZJWAAWWHSLLFM-SWVUVYCOSA-N",155805295,NA,"PDBC42605","777126","Present",NA,NA
+"42606","N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-Butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-Butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3C=CCN3)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O.Cl","ABBVMZAEIWHSRL-FJSFOJABSA-N",393049,NA,"PDBC42606","694330","Present",NA,NA
+"42607","N-[(2R)-Octan-2-yl]furo[3,2-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2R)-Octan-2-yl]furo[3,2-c]quinolin-4-amine",NA,"CCCCCCC(C)NC1=NC2=CC=CC=C2C3=C1C=CO3","WVPYOFPSJXVRPA-CQSZACIVSA-N",24204692,NA,"PDBC42607","732496","Present",NA,NA
+"42608","N-[(2S)-2-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-4-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2S)-2-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-5-oxo-2H-furan-4-yl]acetamide",NA,"CC(=O)NC1=CC(OC1=O)C2COC(O2)(C)C","NNIZOYNYZLGLGQ-DTWKUNHWSA-N",6711386,NA,"PDBC42608","625264","Present",NA,NA
+"42609","N-[(2S)-3-Methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2S)-3-Methyl-1-[(2-methylpropan-2-yl)oxy]butan-2-yl]-1-(1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)methanimine",NA,"CC(C)C(COC(C)(C)C)N=CN1CCC2=C(C1)NC3=CC=CC=C23","PRTXKXGAMROBIZ-HXUWFJFHSA-N",6711336,NA,"PDBC42609","619863","Present",NA,NA
+"42610","N-[(2S)-Octan-2-yl]furo[3,2-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2S)-Octan-2-yl]furo[3,2-c]quinolin-4-amine",NA,"CCCCCCC(C)NC1=NC2=CC=CC=C2C3=C1C=CO3","WVPYOFPSJXVRPA-AWEZNQCLSA-N",24204691,NA,"PDBC42610","732495","Present",NA,NA
+"42611","N-[(2Z)-3-(1H-Benzimidazol-2-yl)-2H-chromen-2-ylidene]-2,4-dichloroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(2Z)-3-(1H-Benzimidazol-2-yl)-2H-chromen-2-ylidene]-2,4-dichloroaniline",NA,"C1=CC=C2C(=C1)C=C(C(=NC3=C(C=C(C=C3)Cl)Cl)O2)C4=NC5=CC=CC=C5N4","GQHIAHYUXZUZOG-UHFFFAOYSA-N",400029,NA,"PDBC42611","711215","Present",NA,NA
+"42612","N-[(3,4-Dichlorophenyl)methyl]-3-[(3,4-dichlorophenyl)methylamino]quinoxaline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(3,4-Dichlorophenyl)methyl]-3-[(3,4-dichlorophenyl)methylamino]quinoxaline-2-carboxamide",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NCC3=CC(=C(C=C3)Cl)Cl)C(=O)NCC4=CC(=C(C=C4)Cl)Cl","OESMNRPGZFUVDG-UHFFFAOYSA-N",387371,NA,"PDBC42612","681123","Present",NA,NA
+"42613","N-[(3-Chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N-ethylethanamine--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(3-Chloro-8-methoxy-11H-indolo[3,2-c]quinolin-9-yl)methyl]-N-ethylethanamine;hydrochloride",NA,"CCN(CC)CC1=CC2=C(C=C1OC)C3=CN=C4C=C(C=CC4=C3N2)Cl.Cl","LROSCMNTAAYPCW-UHFFFAOYSA-N",54601557,NA,"PDBC42613","352737","Present",NA,NA
+"42614","N-[(3-Chlorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-chlorobenzyl)-3-amine-6,7-dimethoxy-1-methylisoquin...",NA,"CC1=NC(=CC2=CC(=C(C=C12)OC)OC)NCC3=CC(=CC=C3)Cl","WZWGENJWVMDQMU-UHFFFAOYSA-N",155814799,NA,"PDBC42614","789210","Present",NA,NA
+"42615","N-[(3-Cyano-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)carbamothioyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(3-Cyano-4-phenyl-5,6,7,8-tetrahydroquinolin-2-yl)carbamothioyl]benzamide",NA,"C1CCC2=C(C1)C(=C(C(=N2)NC(=S)NC(=O)C3=CC=CC=C3)C#N)C4=CC=CC=C4","OETDQHXWKYUVDR-UHFFFAOYSA-N",3004991,NA,"PDBC42615","667072","Present",NA,NA
+"42616","N-[(3-Cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)carbamothioyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(3-Cyano-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)carbamothioyl]benzamide",NA,"C1CC2=C(C1)N=C(C(=C2C3=CC=CC=C3)C#N)NC(=S)NC(=O)C4=CC=CC=C4","QNVKOOVZGKZHCG-UHFFFAOYSA-N",3004993,NA,"PDBC42616","667074","Present",NA,NA
+"42617","N-[(3S)-2,8-Dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(3S)-2,8-Dioxo-1-oxaspiro[4.5]deca-6,9-dien-3-yl]-2,2,2-trifluoroacetamide",NA,"C1C(C(=O)OC12C=CC(=O)C=C2)NC(=O)C(F)(F)F","NSIRBHFKCPLJTA-ZETCQYMHSA-N",371585,NA,"PDBC42617","645977","Present",NA,NA
+"42618","N-[(3Z)-5-Anilino-4-chloro-3H-1,2-dithiol-3-ylidene]-4-methy lbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(3Z)-5-Anilino-4-chloro-3H-1,2-dithiol-3-ylidene]-4-m...",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(SS2)NC3=CC=CC=C3)Cl","HKCYAYAJQBWBOV-MNDPQUGUSA-N",24203709,NA,"PDBC42618","729181","Present",NA,NA
+"42619","N-[(4,12-Diphenyl-5,8,11,13-tetraoxa-3-azatricyclo[7.4.0.02,6]tridec-3-en-7-yl)methyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4,12-Diphenyl-5,8,11,13-tetraoxa-3-azatricyclo[7.4.0.02,6]tridec-3-en-7-yl)methyl]acetamide",NA,"CC(=O)NCC1C2C(C3C(O1)COC(O3)C4=CC=CC=C4)N=C(O2)C5=CC=CC=C5","IJALMPVDHVOPOK-UHFFFAOYSA-N",389365,NA,"PDBC42619","685411","Present",NA,NA
+"42620","N-[(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methyl]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4,4,11,11-Tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl)methyl]hydroxylamine",NA,"CC1(OC2COC3(C(C2O1)OC(O3)(C)C)CNO)C","NYZLPOJPONCKGW-UHFFFAOYSA-N",358302,NA,"PDBC42620","618263","Present",NA,NA
+"42621","N-[(4-Bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4-Bromophenyl)carbamothioyl]phenoxathiine-2-carboxamide",NA,"C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)Br","VIGFHHIGLOQFEF-UHFFFAOYSA-N",5472174,NA,"PDBC42621","716796","Present",NA,NA
+"42622","N-[(4-Bromophenyl)carbamothioyl]thianthrene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4-Bromophenyl)carbamothioyl]thianthrene-2-carboxamide",NA,"C1=CC=C2C(=C1)SC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)Br","QNBPITMKGWXNRK-UHFFFAOYSA-N",5472178,NA,"PDBC42622","716800","Present",NA,NA
+"42623","N-[(4-Butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)(pyridin-4-yl)methyl]-2-chlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-[(4-dutyl-3,5-dioxo-1,2-diphenyl-4-pyrazoli...",NA,"CCCCC1(C(=O)N(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=NC=C4)NC(=O)C5=CC=CC=C5Cl","GDHHNUFJLVMECU-UHFFFAOYSA-N",363424,NA,"PDBC42623","628335","Present",NA,NA
+"42624","N-[(4-Chlorophenyl)methyl]octadecan-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC42169",NA,"CCCCCCCCCCCCCCCCCCNCC1=CC=C(C=C1)Cl.Cl","BFHHMAXVADRPOE-UHFFFAOYSA-N",24185707,NA,"PDBC42624","42169","Present",NA,NA
+"42625","N-[(4-Chlorophenyl)sulfonyl]-N-methylglycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK795176",NA,"CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)Cl","BTJPZWSENGXSGK-UHFFFAOYSA-N",362744,NA,"PDBC42625","626999","Present",NA,NA
+"42626","N-[(4-Chlorophenyl)sulfonyl]-N-phenylglycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBKinase1_002358",NA,"C1=CC=C(C=C1)N(CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl","JVERQDFUUGRBBY-UHFFFAOYSA-N",362836,NA,"PDBC42626","627207","Present",NA,NA
+"42627","N-[(4-Methoxy-2-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4-Methoxy-2-nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide",NA,"COC1=CC(=C(C=C1)NC(=S)NC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3)[N+](=O)[O-]","WQOBBGURQULTDJ-UHFFFAOYSA-N",5472173,NA,"PDBC42627","716795","Present",NA,NA
+"42628","N-[(4-Methoxyphenyl)sulfonyl]-N-phenylglycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK327332",NA,"COC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2","RZEAXDAPFVNKTH-UHFFFAOYSA-N",362726,NA,"PDBC42628","626981","Present",NA,NA
+"42629","N-[(4-Methyl-5-phenyldiazenyl-2-imidazolylidene)amino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27200951",NA,"CC1=C(N=C(N1)N=NC2=CC=CC=C2)N=NC3=CC=CC=C3","JLRWIRBFDUKCMN-UHFFFAOYSA-N",237338,NA,"PDBC42629","40749","Present",NA,NA
+"42630","N-[(4-Methylphenyl)sulfonyl]-N-phenylglycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-029357",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)C2=CC=CC=C2","IKRNEOSZRFEACP-UHFFFAOYSA-N",362727,NA,"PDBC42630","626982","Present",NA,NA
+"42631","N-[(4-Methylphenyl)sulfonyl]valine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC33495",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)O","ZYFUNXTYNIYYJI-UHFFFAOYSA-N",285655,NA,"PDBC42631","33495","Present",NA,NA
+"42632","N-[(4-Nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4-Nitrophenyl)carbamothioyl]phenoxathiine-2-carboxamide",NA,"C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)C(=O)NC(=S)NC4=CC=C(C=C4)[N+](=O)[O-]","FABLLKBJEZGNJS-UHFFFAOYSA-N",5472176,NA,"PDBC42632","716798","Present",NA,NA
+"42633","N-[(4-Propan-2-ylphenyl)thiocarbamoyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bio7G3",NA,"CC(C)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2","IILRYVSUBKKLAS-UHFFFAOYSA-N",708514,NA,"PDBC42633","201487","Present",NA,NA
+"42634","N-[(4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}phenyl)sulfonyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4-{[(6-Chloro-9-oxo-9H-xanthen-4-yl)methyl]amino}phenyl)sulfonyl]acetamide",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NCC2=C3C(=CC=C2)C(=O)C4=C(O3)C=C(C=C4)Cl","RRUMSEVNNYUEFL-UHFFFAOYSA-N",391386,NA,"PDBC42634","690559","Present",NA,NA
+"42635","N-[(4S,6R)-3-Methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylprop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((5S,6R,7R,9R)-6-methoxy-5-methyl-14-oxo-5,6,7,8,9,14,...",NA,"CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)N(C)C(=O)C=C)OC","HAFDWUTUTAKIMQ-IDLUQQOTSA-N",155805851,NA,"PDBC42635","790650","Present",NA,NA
+"42636","N-[(4Z)-1,3-Dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4Z)-1,3-Dibromo-4-hydroxyimino-5,6-dihydrocyclopenta[c]thiophen-6-yl]-2,2,2-trifluoroacetamide",NA,"C1C(C2=C(SC(=C2C1=NO)Br)Br)NC(=O)C(F)(F)F","BBWWRPCRJYGQGF-XFQLMFQHSA-N",5880315,NA,"PDBC42636","662126","Present",NA,NA
+"42637","N-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O","ZJYHIQWOXPZVSJ-UHFFFAOYSA-N",332467,NA,"PDBC42637","329287","Present",NA,NA
+"42638","N-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5,7-Dichloro-2-hydroxy-1H-indol-3-yl)imino]pyridine-4-carboxamide",NA,"C1=CN=CC=C1C(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O","UVDLUDNETRZPGP-UHFFFAOYSA-N",252103,NA,"PDBC42638","73302","Present",NA,NA
+"42639","N-[(5-Fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5-Fluoro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N=NC4=C(NC5=C4C=C(C=C5)F)O","UMESATNFXFMVGH-UHFFFAOYSA-N",403590,NA,"PDBC42639","718643","Present",NA,NA
+"42640","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-aminobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-aminobenzamide",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC(=CC=C6)N","JMRUILHDLBCBSY-DNKJSPPKSA-N",369910,NA,"PDBC42640","642277","Present",NA,NA
+"42641","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-cyanobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-cyanobenzamide",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=CC(=C6)C#N","KKXFGTXVRAMCKK-HIQAHLLCSA-N",369926,NA,"PDBC42641","642293","Present",NA,NA
+"42642","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-fluorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-fluorobenzamide",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC(=CC=C6)F","UTCZLJDJSLLUIO-DNKJSPPKSA-N",369922,NA,"PDBC42642","642289","Present",NA,NA
+"42643","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-3-nitrobenzamide",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC(=CC=C6)[N+](=O)[O-]","TXUFJZLSFLNLSU-DNKJSPPKSA-N",369911,NA,"PDBC42643","642278","Present",NA,NA
+"42644","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-aminobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-aminobenzamide",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)N","HZBOAMGQGQJJAA-DNKJSPPKSA-N",369919,NA,"PDBC42644","642286","Present",NA,NA
+"42645","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-cyanobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-cyanobenzamide",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)C#N","LZPJPJMBGOLYGX-HIQAHLLCSA-N",369925,NA,"PDBC42645","642292","Present",NA,NA
+"42646","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]-4-nitrobenzamide",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=C(C=C6)[N+](=O)[O-]","ONMYWKWYJMFRDS-DNKJSPPKSA-N",369918,NA,"PDBC42646","642285","Present",NA,NA
+"42647","N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]benzamide",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=CC=C6","WPOBOJKDLZJNIU-DNKJSPPKSA-N",369921,NA,"PDBC42647","642288","Present",NA,NA
+"42648","N-[(6,7-Dimethoxy-2-(2-thienyl)-4-quinazolinyl]anthranilic acid hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(6,7-dimethoxy-2-(2-thienyl)-4-quinazolinyl]anthranil...",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CS3)NC4=CC=CC=C4C(=O)NN)OC","KRYYHTJLEYBHGE-UHFFFAOYSA-N",405782,NA,"PDBC42648","723425","Present",NA,NA
+"42649","N-[(6-Azabicyclo[4.4.0]dec-2-yl)methyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(6-Azabicyclo[4.4.0]dec-2-yl)methyl]propanamide",NA,"CCC(=O)NCC1CCCN2C1CCCC2","LDCQPTDRQJWLOD-UHFFFAOYSA-N",3958572,NA,"PDBC42649","685532","Present",NA,NA
+"42650","N-[(6-Bromo-2-(2-thienyl)-4-quinazolinyl] anthranilic acid hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(6-bromo-2-(2-thienyl)-4-quinazolinyl] anthranilic ac...",NA,"C1=CC=C(C(=C1)C(=O)NN)NC2=NC(=NC3=C2C=C(C=C3)Br)C4=CC=CS4","LOXZYULBBHJXCI-UHFFFAOYSA-N",405781,NA,"PDBC42650","723424","Present",NA,NA
+"42651","N-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-6-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-2,2-dimethyl-6-[[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]amino]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxa",NA,"CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)CN5CCN(CC5)C6=CC=CC=N6","OBDZXACOQQCYKY-UHFFFAOYSA-N",45028435,NA,"PDBC42651","742849","Present",NA,NA
+"42652","N-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-6-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(6-Dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)methyl]-6-[[2-[4-(4-methoxyphenyl)piperazin-1-yl]acetyl]amino]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-ca",NA,"CCCCCCCCCCCCOC1C(OC2C1OC(O2)(C)C)CNC(=O)C3C(C4C(O3)OC(O4)(C)C)NC(=O)CN5CCN(CC5)C6=CC=C(C=C6)OC","OICPKBLHQDADSI-UHFFFAOYSA-N",45028433,NA,"PDBC42652","742847","Present",NA,NA
+"42653","N-[(6-Methoxynaphthalen-2-yl)methyl]-2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]ethoxy]ethoxy]ethanamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,11-Diaza-5,8-dioxadodecane, 1,12-bis(6-methoxy- 2-naph...",NA,"COC1=CC2=C(C=C1)C=C(C=C2)CNCCOCCOCCNCC3=CC4=C(C=C3)C=C(C=C4)OC.Cl","GZCBAGOWAQOFFP-UHFFFAOYSA-N",393608,NA,"PDBC42653","695801","Present",NA,NA
+"42654","N-[(6-Methoxynaphthalen-2-yl)methyl]-3-[4-[3-[(6-methoxynaphthalen-2-yl)methylamino]propyl]piperazin-1-yl]propan-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(6-Methoxynaphthalen-2-yl)methyl]-3-[4-[3-[(6-methoxynaphthalen-2-yl)methylamino]propyl]piperazin-1-yl]propan-1-amine;hydrochloride",NA,"COC1=CC2=C(C=C1)C=C(C=C2)CNCCCN3CCN(CC3)CCCNCC4=CC5=C(C=C4)C=C(C=C5)OC.Cl","CGVYVHAEOBBIDS-UHFFFAOYSA-N",385314,NA,"PDBC42654","676429","Present",NA,NA
+"42655","N-[(7S)-1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(7S)-1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)O)O)O","UQUOBYNEJAGXLI-ZDUSSCGKSA-N",391373,NA,"PDBC42655","690430","Present",NA,NA
+"42656","N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(8-hydroxy-7-quinolinyl)(4-methylphenyl)methyl]benzamide",NA,"CC1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC(=O)C4=CC=CC=C4","KISDJXZVLXBGQQ-UHFFFAOYSA-N",2871966,NA,"PDBC42656","756783","Present",NA,NA
+"42657","N-[(Anilinothiocarbamoylamino)thiocarbamoyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Anilinothiocarbamoylamino)thiocarbamoyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=S)NNC(=S)NNC2=CC=CC=C2","ZTFNMEHZZJOPIV-UHFFFAOYSA-N",5033540,NA,"PDBC42657","176373","Present",NA,NA
+"42658","N-[(Carbamothioylamino)carbamothioyl]furan-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((2-(Aminocarbothioyl)hydrazino)carbothioyl)-2-furamide",NA,"C1=COC(=C1)C(=O)NC(=S)NNC(=S)N","ISORUOJUQJDLRG-UHFFFAOYSA-N",3004916,NA,"PDBC42658","661806","Present",NA,NA
+"42659","N-[(Dimethylamino)methylene]-5-fluoro-2',3'-dideoxycytidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Dimethylamino)methylene]- 5-fluoro-2',3'-dideoxycyti...",NA,"CN(C)C=NC1=NC(=O)N(C=C1F)C2CCC(O2)CO","LKKYOIXMDARFKF-UHFFFAOYSA-N",362118,NA,"PDBC42659","625648","Present",NA,NA
+"42660","N-[(E)-(1-Oxoaceanthrylen-2-ylidene)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(1-Oxoaceanthrylen-2-ylidene)amino]benzamide",NA,"C1=CC=C(C=C1)C(=O)NN=C2C3=CC=CC4=CC5=CC=CC=C5C(=C43)C2=O","BALPFFAJNOVRKR-DARPEHSRSA-N",9572075,NA,"PDBC42660","701027","Present",NA,NA
+"42661","N-[(E)-(2,2-Dimethyl-1-pyridin-2-ylpropylidene)amino]-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2,2-Dimethyl-1-pyridin-2-ylpropylidene)amino]-1H-benzimidazol-2-amine",NA,"CC(C)(C)C(=NNC1=NC2=CC=CC=C2N1)C3=CC=CC=N3","UUOYSNOFLSCDPC-QNGOZBTKSA-N",9572554,NA,"PDBC42661","720192","Present",NA,NA
+"42662","N-[(E)-(2,4,5-Trichlorophenyl)methylideneamino]-3-[8-(trifluoromethyl)quinolin-4-yl]sulfanylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2,4,5-Trichlorophenyl)methylideneamino]-3-[8-(trifluoromethyl)quinolin-4-yl]sulfanylpropanamide",NA,"C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)SCCC(=O)NN=CC3=CC(=C(C=C3Cl)Cl)Cl","QOZRMJUYGFRSMS-ORBVJSQLSA-N",45027949,NA,"PDBC42662","740245","Present",NA,NA
+"42663","N-[(E)-(2,4-Dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2,4-Dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]benzamide",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C=C(C=C2)Cl)Cl)NC3=CC=CC(=C3)C(F)(F)F","QOGZXFGZIUYRGJ-KKMKTNMSSA-N",45028836,NA,"PDBC42663","744614","Present",NA,NA
+"42664","N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"C1=CC(=CC(=C1)NC2=CC(=NC=C2)C(F)(F)F)C(=O)NN=CC3=C(C=C(C=C3)O)O","QKXGFHVVMOJLKW-OPEKNORGSA-N",135968269,NA,"PDBC42664","748262","Present",NA,NA
+"42665","N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"C1=CC(=CC=C1C(=O)NN=CC2=C(C=C(C=C2)O)O)NC3=CC(=NC=C3)C(F)(F)F","IZPIBPHWGNEGEW-OPEKNORGSA-N",135968275,NA,"PDBC42665","747461","Present",NA,NA
+"42666","N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-methoxy-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2,4-Dihydroxyphenyl)methylideneamino]-4-methoxy-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"COC1=C(C=C(C=C1)C(=O)NN=CC2=C(C=C(C=C2)O)O)NC3=CC(=NC=C3)C(F)(F)F","XEOTYKXIKLPAEO-KBKYJPHKSA-N",135968271,NA,"PDBC42666","748264","Present",NA,NA
+"42667","N-[(E)-(2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl]pyridine-4-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl]pyridine-4-carbothioamide",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC(=S)C3=CC=NC=C3)O","QBTWCFLHOPPBPM-UHFFFAOYSA-N",135409073,NA,"PDBC42667","657584","Present",NA,NA
+"42668","N-[(E)-(2,6-Dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2,6-Dichlorophenyl)methylideneamino]-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,"C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)NN=CC3=C(C=CC=C3Cl)Cl)C(F)(F)F","YGMCVGSFACWOCM-LUOAPIJWSA-N",46227858,NA,"PDBC42668","747455","Present",NA,NA
+"42669","N-[(E)-(2,6-Dichlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2,6-Dichlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,"C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=C(C=CC=C3Cl)Cl)C(F)(F)F","WGQLIYPOKPCGPV-WXMAUWIXSA-N",45029301,NA,"PDBC42669","746061","Present",NA,NA
+"42670","N-[(E)-(2-Chlorophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Chlorophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F)Cl","SXHNFWVAXVCJIT-RPPGKUMJSA-N",45028733,NA,"PDBC42670","743921","Present",NA,NA
+"42671","N-[(E)-(2-Cyclohexylcyclohexylidene)amino]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Cyclohexylcyclohexylidene)amino]quinolin-2-amine",NA,"C1CCC(CC1)C2CCCCC2=NNC3=NC4=CC=CC=C4C=C3","DRTRHLQGQRLALF-BSYVCWPDSA-N",9573256,NA,"PDBC42671","118724","Present",NA,NA
+"42672","N-[(E)-(2-Hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Hydroxy-3-methoxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"COC1=CC=CC(=C1O)C=NNC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F","TWOGBXFKOOVUMV-RPPGKUMJSA-N",135968234,NA,"PDBC42672","748670","Present",NA,NA
+"42673","N-[(E)-(2-Hydroxynaphthalen-1-yl)methylideneamino]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Hydroxynaphthalen-1-yl)methylideneamino]pentanamide",NA,"CCCCC(=O)NN=CC1=C(C=CC2=CC=CC=C21)O","XJEORCBNVGOXTQ-GZTJUZNOSA-N",135509648,NA,"PDBC42673","110630","Present",NA,NA
+"42674","N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-carboxamide",NA,"CC1=C(N2C(=N1)SC(=N2)C)C(=O)NN=CC3=CC=CC=C3O","NKCHLYWKXIADIE-VIZOYTHASA-N",135436146,NA,"PDBC42674","710320","Present",NA,NA
+"42675","N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide",NA,"C1=CC=C(C(=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=CC=C2O)O","BJXHONRYWGYJOW-KFSYKRRRSA-N",135431368,NA,"PDBC42675","29865","Present",NA,NA
+"42676","N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide",NA,"C1=CC=C(C(=C1)C=NNC(=O)CC2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F)O","UUNVXQMRDHKZLC-LGJNPRDNSA-N",135968237,NA,"PDBC42676","748673","Present",NA,NA
+"42677","N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F)O","HYYLWNCCFQMCHI-BRJLIKDPSA-N",135968233,NA,"PDBC42677","748669","Present",NA,NA
+"42678","N-[(E)-(2-Methoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Methoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine",NA,"COC1=CC=CC=C1C=NNC2=NC3=C(C4=CC=CC=C4C5=C3C=CC=N5)N=N2","ZABCSDGWSVEAJI-ZMOGYAJESA-N",9556167,NA,"PDBC42678","669020","Present",NA,NA
+"42679","N-[(E)-(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylideneamino]morpholine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylideneamino]morpholine-4-carboxamide",NA,"C1COCCN1C(=O)NN=CC2=[N+](ON=C2C3=CC=CC=C3)[O-]","MARXGGLFUMEGRL-XNTDXEJSSA-N",135493990,NA,"PDBC42679","688497","Present",NA,NA
+"42680","N-[(E)-(2-Phenyl-1-pyridin-2-ylethylidene)amino]-1,3-benzoxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Phenyl-1-pyridin-2-ylethylidene)amino]-1,3-benzoxazol-2-amine",NA,"C1=CC=C(C=C1)CC(=NNC2=NC3=CC=CC=C3O2)C4=CC=CC=N4","PAYACXPKLIXROI-PTGBLXJZSA-N",9572558,NA,"PDBC42680","720199","Present",NA,NA
+"42681","N-[(E)-(2-Phenyl-1-pyridin-2-ylethylidene)amino]-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(2-Phenyl-1-pyridin-2-ylethylidene)amino]-1H-benzimidazol-2-amine",NA,"C1=CC=C(C=C1)CC(=NNC2=NC3=CC=CC=C3N2)C4=CC=CC=N4","SVPNJSFFVYPLIM-LYBHJNIJSA-N",9572556,NA,"PDBC42681","720194","Present",NA,NA
+"42682","N-[(E)-(3,4,5-Trimethoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3,4,5-Trimethoxyphenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine",NA,"COC1=CC(=CC(=C1OC)OC)C=NNC2=NC3=C(C4=CC=CC=C4C5=C3C=CC=N5)N=N2","QPBDSPQARCBLHC-LGJNPRDNSA-N",9571822,NA,"PDBC42682","661215","Present",NA,NA
+"42683","N-[(E)-(3,4-Dimethoxyphenyl)methylideneamino]-2-[2-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3,4-Dimethoxyphenyl)methylideneamino]-2-[2-[[(E)-(3,4-dimethoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide",NA,"COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=CC4=CC(=C(C=C4)OC)OC)OC","RCCJZPDQMAUVGM-ZXHXELASSA-N",9556369,NA,"PDBC42683","698449","Present",NA,NA
+"42684","N-[(E)-(3,4-Dimethylphenyl)methylideneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3,4-Dimethylphenyl)methylideneamino]benzenesulfonamide",NA,"CC1=C(C=C(C=C1)C=NNS(=O)(=O)C2=CC=CC=C2)C","WWXVKGVVZKASGP-LFIBNONCSA-N",9569899,NA,"PDBC42684","623225","Present",NA,NA
+"42685","N-[(E)-(3,5-Dimethyl-6-methylsulfanyl-1,1-dioxo-2-phenylthiazin-4-yl)methylideneamino]-4-nitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3,5-Dimethyl-6-methylsulfanyl-1,1-dioxo-2-phenylthiazin-4-yl)methylideneamino]-4-nitroaniline",NA,"CC1=C(S(=O)(=O)N(C(=C1C=NNC2=CC=C(C=C2)[N+](=O)[O-])C)C3=CC=CC=C3)SC","GACRJEZHCPBXTP-FYJGNVAPSA-N",9572097,NA,"PDBC42685","703162","Present",NA,NA
+"42686","N-[(E)-(3-Chlorophenyl)methylideneamino]-2-[1-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3-Chlorophenyl)methylideneamino]-2-[1-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanylpropanamide",NA,"CC(C(=O)NN=CC1=CC(=CC=C1)Cl)SC(C)C(=O)NN=CC2=CC(=CC=C2)Cl","RDHHPZFEIPDNPL-QEUMEHMPSA-N",54599374,NA,"PDBC42686","56736","Present",NA,NA
+"42687","N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide",NA,"CCOC1=CC=CC(=C1O)C=NNC(=O)CC2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F","VKTCJEKRRYZLIO-CCVNUDIWSA-N",135968238,NA,"PDBC42687","748674","Present",NA,NA
+"42688","N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"CCOC1=CC=CC(=C1O)C=NNC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F","UGVQUYRMKCCKIT-UVHMKAGCSA-N",135968235,NA,"PDBC42688","748671","Present",NA,NA
+"42689","N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"CCOC1=CC=CC(=C1O)C=NNC(=O)C2=CC(=CC=C2)NC3=CC(=NC=C3)C(F)(F)F","XRBWFXBPHGRTHK-UVHMKAGCSA-N",135968270,NA,"PDBC42689","748263","Present",NA,NA
+"42690","N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3-Ethoxy-2-hydroxyphenyl)methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"CCOC1=CC=CC(=C1O)C=NNC(=O)C2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F","VNRNRMLXMOUHGD-UVHMKAGCSA-N",135968236,NA,"PDBC42690","748672","Present",NA,NA
+"42691","N-[(E)-(3-Hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3-Hydroxy-4-methoxyphenyl)methylideneamino]-1H-indole-7-carboxamide",NA,"COC1=C(C=C(C=C1)C=NNC(=O)C2=CC=CC3=C2NC=C3)O","HFIKRHZIORYZHL-VXLYETTFSA-N",6899201,NA,"PDBC42691","746498","Present",NA,NA
+"42692","N-[(E)-(3-Hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(3-Hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,"C1=CC(=CC(=C1)O)C=NNC(=O)C2=C(N=C(C=C2)C(F)(F)F)NC3=CC=CC(=C3)C(F)(F)F","NBRMRTGSNIWCBF-IPBVOBEMSA-N",45028833,NA,"PDBC42692","744611","Present",NA,NA
+"42693","N-[(E)-(3-Methoxy-4-phenoxyphenyl)methylideneamino]-2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(3-methoxy-4-phenoxybenzylidene)-2-phenyl-2,3-dihydro...",NA,"COC1=C(C=CC(=C1)C=NNC(=O)C2=C3NC(CN3N=C2)C4=CC=CC=C4)OC5=CC=CC=C5","CTYNVCVMNCFKPV-JFLMPSFJSA-N",155807237,NA,"PDBC42693","797649","Present",NA,NA
+"42694","N-[(E)-(3-Methoxy-4-phenylmethoxyphenyl)methylideneamino]-2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(4-(benzyloxy)-3-methoxybenzylidene)-2-phenyl-2,3-dih...",NA,"COC1=C(C=CC(=C1)C=NNC(=O)C2=C3NC(CN3N=C2)C4=CC=CC=C4)OCC5=CC=CC=C5","LAPDWBTXMOQBRL-RWPZCVJISA-N",155813363,NA,"PDBC42694","797650","Present",NA,NA
+"42695","N-[(E)-(4,4-Dimethyl-2-bicyclo[3.2.1]octanylidene)amino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4,4-Dimethyl-2-bicyclo[3.2.1]octanylidene)amino]acetamide",NA,"CC(=O)NN=C1CC(C2CCC1C2)(C)C","WUEKNJXUHBWDRN-SDNWHVSQSA-N",5937183,NA,"PDBC42695","625793","Present",NA,NA
+"42696","N-[(E)-(4-Chloro-3-nitrophenyl)methylideneamino]formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Chloro-3-nitrophenyl)methylideneamino]formamide",NA,"C1=CC(=C(C=C1C=NNC=O)[N+](=O)[O-])Cl","ZKQOFWLDKTUXRE-ONNFQVAWSA-N",6861592,NA,"PDBC42696","121754","Present",NA,NA
+"42697","N-[(E)-(4-Chlorophenyl)methyleneamino]-5-methyl-1-[8-(trifluoromethyl)-4-quinolyl]triazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Chlorophenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide",NA,"CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)NN=CC4=CC=C(C=C4)Cl","GIHNTQKMGBKASZ-LUOAPIJWSA-N",11590674,NA,"PDBC42697","736149","Present",NA,NA
+"42698","N-[(E)-(4-Chlorophenyl)methylideneamino]-2-[2-[[(E)-(4-chlorophenyl)methylideneamino]carbamoyl]anilino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Chlorophenyl)methylideneamino]-2-[2-[[(E)-(4-chlorophenyl)methylideneamino]carbamoyl]anilino]benzamide",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)Cl)NC3=CC=CC=C3C(=O)NN=CC4=CC=C(C=C4)Cl","SOUMGTVQSYVYIM-LTTYKRRRSA-N",9556367,NA,"PDBC42698","698447","Present",NA,NA
+"42699","N-[(E)-(4-Chlorophenyl)methylideneamino]-2-hydroxy-3,5-diiodobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Chlorophenyl)methylideneamino]-2-hydroxy-3,5-diiodobenzamide",NA,"C1=CC(=CC=C1C=NNC(=O)C2=C(C(=CC(=C2)I)I)O)Cl","ORCBYCQOTXIAKR-CNHKJKLMSA-N",9572430,NA,"PDBC42699","716155","Present",NA,NA
+"42700","N-[(E)-(4-Chlorophenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Chlorophenyl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine",NA,"C1=CC=C2C(=C1)C3=C(C=CC=N3)C4=C2N=NC(=N4)NN=CC5=CC=C(C=C5)Cl","DVYDFEGMWUWDTF-WYMPLXKRSA-N",9571437,NA,"PDBC42700","661217","Present",NA,NA
+"42701","N-[(E)-(4-Chlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Chlorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,"C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)Cl)C(F)(F)F","YZYOKRIVDBHSFB-VPUKRXIYSA-N",45029300,NA,"PDBC42701","746060","Present",NA,NA
+"42702","N-[(E)-(4-Fluorophenyl)methylideneamino]-5-iodo-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Fluorophenyl)methylideneamino]-5-iodo-3-phenyl-1H-indole-2-carboxamide",NA,"C1=CC=C(C=C1)C2=C(NC3=C2C=C(C=C3)I)C(=O)NN=CC4=CC=C(C=C4)F","FCZQOYLNNRGIOM-DHRITJCHSA-N",54613729,NA,"PDBC42702","747378","Present",NA,NA
+"42703","N-[(E)-(4-Fluorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Fluorophenyl)methylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,"C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=C(C=C3)F)C(F)(F)F","GFNMQVGJHNRAKI-VPUKRXIYSA-N",45028736,NA,"PDBC42703","743924","Present",NA,NA
+"42704","N-[(E)-(4-Hydroxyphenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Hydroxyphenyl)methylideneamino]-5-methyl-1-[8-(trifluoromethyl)quinolin-4-yl]triazole-4-carboxamide",NA,"CC1=C(N=NN1C2=C3C=CC=C(C3=NC=C2)C(F)(F)F)C(=O)NN=CC4=CC=C(C=C4)O","WWTQJQVHECEMCY-KBKYJPHKSA-N",135580415,NA,"PDBC42704","736150","Present",NA,NA
+"42705","N-[(E)-(4-Methoxyphenyl)methylideneamino]-2-[2-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Methoxyphenyl)methylideneamino]-2-[2-[[(E)-(4-methoxyphenyl)methylideneamino]carbamoyl]anilino]benzamide",NA,"COC1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=CC4=CC=C(C=C4)OC","FKNDCGPKYZADEA-GKTLAHRSSA-N",9556368,NA,"PDBC42705","698448","Present",NA,NA
+"42706","N-[(E)-(4-Methyl-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)methylideneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Furazan-3-carboxyaldehyde, 4-methyl-, (phenylsulfonyl)hy...",NA,"CC1=NO[N+](=C1C=NNS(=O)(=O)C2=CC=CC=C2)[O-]","QLXAKDDWVFQBBI-YRNVUSSQSA-N",135499284,NA,"PDBC42706","647715","Present",NA,NA
+"42707","N-[(E)-(4-Nitrophenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Nitrophenyl)methylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide",NA,"C1=CC=NC(=C1)C2=NN=C(S2)SCC(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","FZVGBZMKMOTWTQ-GIJQJNRQSA-N",9572471,NA,"PDBC42707","716804","Present",NA,NA
+"42708","N-[(E)-(4-Nitrophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Nitrophenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC(=NC=C3)C(F)(F)F","NQJJZKQYMJEDHF-BRJLIKDPSA-N",45028731,NA,"PDBC42708","743919","Present",NA,NA
+"42709","N-[(E)-(4-Nitrophenyl)methylideneamino]phenazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(4-Nitrophenyl)methylideneamino]phenazine-1-carboxamide",NA,"C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-]","AMHFGXOHFJJBSJ-CIAFOILYSA-N",9572500,NA,"PDBC42709","718155","Present",NA,NA
+"42710","N-[(E)-(5-Bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(5-Bromo-2-hydroxyphenyl)methylideneamino]-3-(4-hydroxyphenyl)propanamide",NA,"C1=CC(=CC=C1CCC(=O)NN=CC2=C(C=CC(=C2)Br)O)O","NFVDIJBWLQZOKN-VCHYOVAHSA-N",135545714,NA,"PDBC42710","142493","Present",NA,NA
+"42711","N-[(E)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C=CC(=C2)Cl)O)NC3=CC(=NC=C3)C(F)(F)F","UGTWNAOSQWGNEE-KBKYJPHKSA-N",135968273,NA,"PDBC42711","747459","Present",NA,NA
+"42712","N-[(E)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(5-Chloro-2-hydroxyphenyl)methylideneamino]-N'-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]pentanediamide",NA,"C1=CC(=C(C=C1Cl)C=NNC(=O)CCCC(=O)NN=CC2=C(C=CC(=C2)Cl)O)O","AOYUMLNWNHCSEF-BKNYSILLSA-N",135509602,NA,"PDBC42712","106139","Present",NA,NA
+"42713","N-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(5-Nitrofuran-2-yl)methylideneamino]-3,4,6,12-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2(7),3,5,8(13),9,11,14,16-nonaen-5-amine",NA,"C1=CC=C2C(=C1)C3=C(C=CC=N3)C4=C2N=NC(=N4)NN=CC5=CC=C(O5)[N+](=O)[O-]","VMHDBVVZBFTUPQ-UFFVCSGVSA-N",9571823,NA,"PDBC42713","661216","Present",NA,NA
+"42714","N-[(E)-(6-Chloro-4-oxo-chromen-3-yl)methyleneamino]-3,4,5-trihydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-trihydroxy-benzoic acid (6-chloro-4-oxo-4H-chromen...",NA,"C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C=NNC(=O)C3=CC(=C(C(=C3)O)O)O","YLWBSNUXICLLOH-KPSZGOFPSA-N",9579176,NA,"PDBC42714","732266","Present",NA,NA
+"42715","N-[(E)-(6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl]pyridine-4-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(6-Methyl-2,4-dioxo-2H-pyran-3(4H)-ylidene)methyl]pyridine-4-carbothioamide",NA,"CC1=CC(=C(C(=O)O1)C=NC(=S)C2=CC=NC=C2)O","NCOUDUSOPUQAFT-UHFFFAOYSA-N",135409062,NA,"PDBC42715","657459","Present",NA,NA
+"42716","N-[(E)-(6-Methylchromen-4-ylidene)amino]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(6-Methylchromen-4-ylidene)amino]aniline",NA,"CC1=CC2=C(C=C1)OC=CC2=NNC3=CC=CC=C3","LGEVMCFFTMWWBP-OBGWFSINSA-N",5838964,NA,"PDBC42716","601994","Present",NA,NA
+"42717","N-[(E)-(9-Methoxy-6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]-2,4-dinitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-(9-Methoxy-6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]-2,4-dinitroaniline",NA,"CC12CCC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4C1CC(CC24)OC","IYCRBPKMMSFIQU-HMMYKYKNSA-N",9569912,NA,"PDBC42717","624357","Present",NA,NA
+"42718","N-[(E)-1-(1,3-Benzodioxol-5-yl)propan-2-ylideneamino]-2-[[5-[1-[(2E)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-(1,3-Benzodioxol-5-yl)propan-2-ylideneamino]-2-[[5-[1-[(2E)-2-[1-(1,3-benzodioxol-5-yl)propan-2-ylidene]hydrazinyl]-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide",NA,"CC(C(=O)NN=C(C)CC1=CC2=C(C=C1)OCO2)SC3=NN=C(S3)SC(C)C(=O)NN=C(C)CC4=CC5=C(C=C4)OCO5","LOWVQWJFFKBQDQ-CMNXJCJSSA-N",9572156,NA,"PDBC42718","706006","Present",NA,NA
+"42719","N-[(E)-1-(2,3,4-Trihydroxyphenyl)decylideneamino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-(2,3,4-Trihydroxyphenyl)decylideneamino]pyridine-4-carboxamide",NA,"CCCCCCCCCC(=NNC(=O)C1=CC=NC=C1)C2=C(C(=C(C=C2)O)O)O","LGDNABUDFVHCBN-HKOYGPOVSA-N",135408642,NA,"PDBC42719","54690","Present",NA,NA
+"42720","N-[(E)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)propylideneamino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-(2,3-Dihydro-1,4-benzodioxin-6-yl)propylideneamino]pyridine-3-carboxamide",NA,"CCC(=NNC(=O)C1=CN=CC=C1)C2=CC3=C(C=C2)OCCO3","CTBCYEGHYZPYLC-XMHGGMMESA-N",6919276,NA,"PDBC42720","720235","Present",NA,NA
+"42721","N-[(E)-1-(4-Hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-(4-Hydroxy-6-methyl-2-oxopyran-3-yl)ethylideneamino]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=C(C=C(OC2=O)C)O","GEMMRLPMIPRTSU-LFIBNONCSA-N",135455599,NA,"PDBC42721","618496","Present",NA,NA
+"42722","N-[(E)-1-(6-Methylpyrimidin-4-yl)ethylideneamino]-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-(6-Methylpyrimidin-4-yl)ethylideneamino]-1,3-benzothiazol-2-amine",NA,"CC1=CC(=NC=N1)C(=NNC2=NC3=CC=CC=C3S2)C","SEJMSFFDFURLDL-VCHYOVAHSA-N",9572045,NA,"PDBC42722","693633","Present",NA,NA
+"42723","N-[(E)-1-(6-Methylpyrimidin-4-yl)ethylideneamino]-1,3-benzoxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-(6-Methylpyrimidin-4-yl)ethylideneamino]-1,3-benzoxazol-2-amine",NA,"CC1=CC(=NC=N1)C(=NNC2=NC3=CC=CC=C3O2)C","ITNLPLBIHXHFPI-VCHYOVAHSA-N",9572049,NA,"PDBC42723","693637","Present",NA,NA
+"42724","N-[(E)-1-Dimethoxyphosphoryl-2-(1-tritylimidazol-4-yl)vinyl]formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Dimethoxyphosphoryl-2-(1-tritylimidazol-4-yl)vinyl]formamide",NA,"COP(=O)(C(=CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC=O)OC","ZLAPORNFYHVNOP-NLRVBDNBSA-N",5468398,NA,"PDBC42724","669592","Present",NA,NA
+"42725","N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2S1)C3=CC4=CC=CC=C4C=N3","YITHSFNNFSPBCY-CIAFOILYSA-N",9572098,NA,"PDBC42725","703165","Present",NA,NA
+"42726","N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1,3-benzoxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1-(3-isoquinolinyl)-, (2-benzoxazolyl)hydrazone",NA,"CC(=NNC1=NC2=CC=CC=C2O1)C3=CC4=CC=CC=C4C=N3","CQYWNLWTQUEJRG-CIAFOILYSA-N",9572050,NA,"PDBC42726","693638","Present",NA,NA
+"42727","N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1-methylbenzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1-methylbenzimidazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2N1C)C3=CC4=CC=CC=C4C=N3","UXHLNOYNGJUBBR-LPYMAVHISA-N",9572093,NA,"PDBC42727","703108","Present",NA,NA
+"42728","N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Isoquinolin-3-ylethylideneamino]-1H-benzimidazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2N1)C3=CC4=CC=CC=C4C=N3","RYXAIOOEHKWXEI-WSDLNYQXSA-N",9572092,NA,"PDBC42728","703107","Present",NA,NA
+"42729","N-[(E)-1-Pyrazin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Pyrazin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2S1)C3=NC=CN=C3","SKRYPHLFZNQIPE-RQZCQDPDSA-N",9572044,NA,"PDBC42729","693631","Present",NA,NA
+"42730","N-[(E)-1-Pyrazin-2-ylethylideneamino]-1,3-benzoxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Pyrazin-2-ylethylideneamino]-1,3-benzoxazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2O1)C3=NC=CN=C3","PKOHYWDPXJOSSM-RQZCQDPDSA-N",9572086,NA,"PDBC42730","703100","Present",NA,NA
+"42731","N-[(E)-1-Pyrazin-2-ylethylideneamino]-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Pyrazin-2-ylethylideneamino]-1H-benzimidazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2N1)C3=NC=CN=C3","NPJNZRCBNBIANC-GIJQJNRQSA-N",9572087,NA,"PDBC42731","703101","Present",NA,NA
+"42732","N-[(E)-1-Pyridazin-3-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Pyridazin-3-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2S1)C3=NN=CC=C3","YWCYOZDRZBDPOA-CXUHLZMHSA-N",9572043,NA,"PDBC42732","693630","Present",NA,NA
+"42733","N-[(E)-1-Pyridin-2-ylethylideneamino]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Pyridin-2-ylethylideneamino]-5-(trifluoromethyl)-1,3-benzothiazol-2-amine",NA,"CC(=NNC1=NC2=C(S1)C=CC(=C2)C(F)(F)F)C3=CC=CC=N3","SVLOHIQKILEKEY-ZVBGSRNCSA-N",9572095,NA,"PDBC42733","703110","Present",NA,NA
+"42734","N-[(E)-1-Pyridin-2-ylethylideneamino]-[1,3]thiazolo[5,4-b]pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Pyridin-2-ylethylideneamino]-[1,3]thiazolo[5,4-b]pyridin-2-amine",NA,"CC(=NNC1=NC2=C(S1)N=CC=C2)C3=CC=CC=N3","ANMRRQRSIVOLHB-RQZCQDPDSA-N",9572047,NA,"PDBC42734","693635","Present",NA,NA
+"42735","N-[(E)-1-Pyrimidin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Pyrimidin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2S1)C3=NC=CC=N3","UWEYFUAPWACRTE-RQZCQDPDSA-N",9572048,NA,"PDBC42735","693636","Present",NA,NA
+"42736","N-[(E)-1-Pyrimidin-2-ylethylideneamino]-1,3-benzoxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanone, 1-(2-pyrimidinyl)-, (2-benzoxazolyl)hydrazone",NA,"CC(=NNC1=NC2=CC=CC=C2O1)C3=NC=CC=N3","FTVKANYOVYWVHC-RQZCQDPDSA-N",9572051,NA,"PDBC42736","693639","Present",NA,NA
+"42737","N-[(E)-1-Pyrimidin-4-ylethylideneamino]-1,3-benzoxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Pyrimidin-4-ylethylideneamino]-1,3-benzoxazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2O1)C3=NC=NC=C3","OWAOUOQUKHITTA-RQZCQDPDSA-N",9572089,NA,"PDBC42737","703103","Present",NA,NA
+"42738","N-[(E)-1-Pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Pyrimidin-4-ylethylideneamino]-1H-benzimidazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2N1)C3=NC=NC=C3","GSVZQYFWGJGZGV-GIJQJNRQSA-N",9572090,NA,"PDBC42738","703104","Present",NA,NA
+"42739","N-[(E)-1-Quinolin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Quinolin-2-ylethylideneamino]-1,3-benzothiazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2S1)C3=NC4=CC=CC=C4C=C3","YNGWHJOBGXTPJZ-CIAFOILYSA-N",9572609,NA,"PDBC42739","722318","Present",NA,NA
+"42740","N-[(E)-1-Quinolin-2-ylethylideneamino]-1,3-benzoxazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Quinolin-2-ylethylideneamino]-1,3-benzoxazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2O1)C3=NC4=CC=CC=C4C=C3","CBBXHKJWAJOIPF-CIAFOILYSA-N",9572608,NA,"PDBC42740","722317","Present",NA,NA
+"42741","N-[(E)-1-Quinolin-2-ylethylideneamino]-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Quinolin-2-ylethylideneamino]-1H-benzimidazol-2-amine",NA,"CC(=NNC1=NC2=CC=CC=C2N1)C3=NC4=CC=CC=C4C=C3","WJYSFNUFWNKEOX-WSDLNYQXSA-N",9572606,NA,"PDBC42741","722315","Present",NA,NA
+"42742","N-[(E)-1-Quinolin-8-ylethylideneamino]azepane-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-Quinolin-8-ylethylideneamino]azepane-1-carbothioamide",NA,"CC(=NNC(=S)N1CCCCCC1)C2=CC=CC3=C2N=CC=C3","KKURDNASMPVGKT-XSFVSMFZSA-N",54601897,NA,"PDBC42742","363951","Present",NA,NA
+"42743","N-[(E)-1-[(2S,4S)-4-(4-Amino-5-hydroxy-6-methyloxan-2-yl)oxy-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethylideneamino]-3-nitrobenzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 3-nitro-, [[1-[4-[(3-amino-2,3,6-trideoxy-...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC(=CC=C6)[N+](=O)[O-])C)O)N)O.Cl","QEORIOWOGNHTED-YMYQXXOFSA-N",54607142,NA,"PDBC42743","221265","Present",NA,NA
+"42744","N-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]pyridine-4-carboxamide",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=O)C5=CC=NC=C5)C","WYQIIKFMEBSUDD-NDZAJKAJSA-N",9571772,NA,"PDBC42744","648582","Present",NA,NA
+"42745","N-[(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-C-methyl-N-[(2-pyridin-1-ium-1-ylacetyl)amino]carbonimidoyl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]ethylideneamino]-2-pyridin-1-ium-1-ylacetamide;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-[4-Methyl-2-[4-methyl-5-[(E)-C-methyl-N-[(2-pyridin-1-ium-1-ylacetyl)amino]carbonimidoyl]-1,3-thiazol-2-yl]-1,3-thiazol-5-yl]ethylideneamino]-2-pyridin-1-ium-1-ylacetamide;chloride",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=NNC(=O)C[N+]3=CC=CC=C3)C)C)C(=NNC(=O)C[N+]4=CC=CC=C4)C.[Cl-]","WBOFMMLDXXAVNC-UHFFFAOYSA-O",9571670,NA,"PDBC42745","642605","Present",NA,NA
+"42746","N-[(E)-1-[6-[(E)-C-Methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-1-[6-[(E)-C-Methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide",NA,"CC(=NNC(=O)C1=CN=CC=C1)C2=NC(=CC=C2)C(=NNC(=O)C3=CN=CC=C3)C","KTIMZDVPCGKQRT-LVSXPEEVSA-N",5791411,NA,"PDBC42746","617565","Present",NA,NA
+"42747","N-[(E)-2,3-Dihydro-1H-inden-5-ylmethylideneamino]-2-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2,3-Dihydro-1H-inden-5-ylmethylideneamino]-2-hydroxybenzamide",NA,"C1CC2=C(C1)C=C(C=C2)C=NNC(=O)C3=CC=CC=C3O","WAHZSOZHLCYJJD-WOJGMQOQSA-N",5771620,NA,"PDBC42747","125044","Present",NA,NA
+"42748","N-[(E)-2-(1,3-Benzothiazol-2-yl)-2-cyanovinyl]pyridine-4-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2-(1,3-Benzothiazol-2-yl)-2-cyanovinyl]pyridine-4-carbothioamide",NA,"C1=CC=C2C(=C1)N=C(S2)C(=CNC(=S)C3=CC=NC=C3)C#N","SAJLUEONNSGLNE-ZRDIBKRKSA-N",3004756,NA,"PDBC42748","659694","Present",NA,NA
+"42749","N-[(E)-2-Amino-1-(hydrazinocarbonyl)-2-(3-nitrophenyl)vinyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2-Amino-1-(hydrazinocarbonyl)-2-(3-nitrophenyl)vinyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=C(C2=CC(=CC=C2)[N+](=O)[O-])N)C(=O)NN","DMAKTCPTTKQRGI-BUHFOSPRSA-N",5388166,NA,"PDBC42749","632934","Present",NA,NA
+"42750","N-[(E)-2-Amino-2-(4-chlorophenyl)-1-(hydrazinocarbonyl)vinyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2-Amino-2-(4-chlorophenyl)-1-(hydrazinocarbonyl)vinyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=C(C2=CC=C(C=C2)Cl)N)C(=O)NN","GDROIRRDKDPMSV-BUHFOSPRSA-N",3000676,NA,"PDBC42750","632949","Present",NA,NA
+"42751","N-[(E)-2-Methoxyethenyl]tetradecanethioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-2-Methoxyethenyl]tetradecanethioamide",NA,"CCCCCCCCCCCCCC(=S)NC=COC","LGZAMZLZMBGJPB-FOCLMDBBSA-N",5933876,NA,"PDBC42751","639419","Present",NA,NA
+"42752","N-[(E)-4-Hydroxybut-2-enyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-4-Hydroxybut-2-enyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NCC=CCO","RMVHXXQSKYWSDW-SNAWJCMRSA-N",5387027,NA,"PDBC42752","619915","Present",NA,NA
+"42753","N-[(E)-Benzylideneamino]-1-methyltetrazol-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzaldehyde, (1-methyl-1H-tetrazol-5-yl)hydrazone",NA,"CN1C(=NN=N1)NN=CC2=CC=CC=C2","CRYWPMSMTIFAGJ-JXMROGBWSA-N",9562675,NA,"PDBC42753","166648","Present",NA,NA
+"42754","N-[(E)-Benzylideneamino]-11-methyl-3,4,5,6,7,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-8-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-Benzylideneamino]-11-methyl-3,4,5,6,7,10,11-heptazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,9-pentaen-8-amine",NA,"CN1C=C2C(=N1)C(=NN3C2=NN=N3)NN=CC4=CC=CC=C4","IOPACRHQQKHBFY-VGOFMYFVSA-N",9570023,NA,"PDBC42754","633095","Present",NA,NA
+"42755","N-[(E)-Benzylideneamino]-2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-Benzylideneamino]-2-(3-benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetamide",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NN=CC4=CC=CC=C4","COZVAAPKIUAPPE-VULFUBBASA-N",9572422,NA,"PDBC42755","715740","Present",NA,NA
+"42756","N-[(E)-Benzylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-Benzylideneamino]-2-[(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide",NA,"C1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(S2)C3=CC=CC=N3","OINNYWWMTYBGMS-VCHYOVAHSA-N",9572470,NA,"PDBC42756","716803","Present",NA,NA
+"42757","N-[(E)-Benzylideneamino]-3-pyridin-3-ylquinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-Benzylideneamino]-3-pyridin-3-ylquinoline-4-carboxamide",NA,"C1=CC=C(C=C1)C=NNC(=O)C2=C(C=NC3=CC=CC=C32)C4=CN=CC=C4","QGTIKOVJEOUTFP-DHRITJCHSA-N",9571813,NA,"PDBC42757","659292","Present",NA,NA
+"42758","N-[(E)-Benzylideneamino]-5-[5-[(2E)-2-benzylidenehydrazinyl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-Benzylideneamino]-5-[5-[(2E)-2-benzylidenehydrazinyl]-1,3,4-oxadiazol-2-yl]-1,3,4-oxadiazol-2-amine",NA,"C1=CC=C(C=C1)C=NNC2=NN=C(O2)C3=NN=C(O3)NN=CC4=CC=CC=C4","WPAZFWTYQLSNPT-AYKLPDECSA-N",9555949,NA,"PDBC42758","661584","Present",NA,NA
+"42759","N-[(E)-Furan-2-ylmethylideneamino]-2-hydroxy-3,5-diiodobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-Furan-2-ylmethylideneamino]-2-hydroxy-3,5-diiodobenzamide",NA,"C1=COC(=C1)C=NNC(=O)C2=C(C(=CC(=C2)I)I)O","IJOVHVFASZRTMF-GIDUJCDVSA-N",9572431,NA,"PDBC42759","716156","Present",NA,NA
+"42760","N-[(E)-Pyridin-4-ylmethylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-Pyridin-4-ylmethylideneamino]-6-(trifluoromethyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carboxamide",NA,"C1=CC(=CC(=C1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)NN=CC3=CC=NC=C3)C(F)(F)F","XQMMLHNXJMPKBX-IPBVOBEMSA-N",45028737,NA,"PDBC42760","743925","Present",NA,NA
+"42761","N-[(E)-[(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]acridine-4-carboxamide",NA,"CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NNC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)CCC34","QFLMVJADQLUMMQ-PDHQMZKCSA-N",9572109,NA,"PDBC42761","703874","Present",NA,NA
+"42762","N-[(E)-[(8R,9S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-9-oxo-10H-acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(8R,9S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]-9-oxo-10H-acridine-4-carboxamide",NA,"CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NNC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34","PUKMXLXCIUIMFN-RSXVDOSISA-N",9572003,NA,"PDBC42762","684412","Present",NA,NA
+"42763","N-[(E)-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]pyridine-4-carboxamide",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=O)C5=CC=NC=C5)C=CC6=CC=C(C=C6)[N+](=O)[O-]","BLTDODXXLCRXRD-BVVZBFNZSA-N",9574280,NA,"PDBC42763","642636","Present",NA,NA
+"42764","N-[(E)-[(E)-But-2-enylidene]amino]-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(E)-But-2-enylidene]amino]-N-(5,6-diphenyl-1,2,4-triazin-3-yl)-4-methylbenzenesulfonamide",NA,"CC=CC=NN(C1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C","HXOVZCHMWNKXFV-HOIMMBIJSA-N",9555834,NA,"PDBC42764","640642","Present",NA,NA
+"42765","N-[(E)-[1-(5-Chloro-2-hydroxyphenyl)-3-methylbutylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[1-(5-Chloro-2-hydroxyphenyl)-3-methylbutylidene]amino]pyridine-4-carboxamide",NA,"CC(C)CC(=NNC(=O)C1=CC=NC=C1)C2=C(C=CC(=C2)Cl)O","RKYOOFYXWKNEDT-HMMYKYKNSA-N",135431336,NA,"PDBC42765","27604","Present",NA,NA
+"42766","N-[(E)-[2-(5-Methoxy-3-methylidenepentyl)cycloheptylidene]amino]-N-methylmethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[2-(5-Methoxy-3-methylidenepentyl)cycloheptylidene]amino]-N-methylmethanamine",NA,"CN(C)N=C1CCCCCC1CCC(=C)CCOC","URWVGJTWRDBHTH-WUKNDPDISA-N",9572054,NA,"PDBC42766","695230","Present",NA,NA
+"42767","N-[(E)-[2-Chloro-4-(dimethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[2-Chloro-4-(dimethylamino)phenyl]methylideneamino]naphthalene-1-carboxamide",NA,"CN(C)C1=CC(=C(C=C1)C=NNC(=O)C2=CC=CC3=CC=CC=C32)Cl","DRFOYVAYYXQSPB-LPYMAVHISA-N",9568495,NA,"PDBC42767","115980","Present",NA,NA
+"42768","N-[(E)-[2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide",NA,"COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)C=NNC4=NCCN4)OC)[N+](=O)[O-].Br","PGZUQYANSPRCFK-RTXBPYFBSA-N",24204559,NA,"PDBC42768","732183","Present",NA,NA
+"42769","N-[(E)-[2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[2-Chloro-6-(2,5-dimethoxy-4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride",NA,"COC1=CC(=C(C=C1C2=C(N3C=C(SC3=N2)Cl)C=NNC4=CC=CC=N4)OC)[N+](=O)[O-].Cl","QTIRMKAJKIYJTK-PXSFLOMMSA-N",24204563,NA,"PDBC42769","732185","Present",NA,NA
+"42770","N-[(E)-[3-(Dimethylamino)-1-phenylpropylidene]amino]aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[3-(Dimethylamino)-1-phenylpropylidene]amino]aniline;hydrochloride",NA,"CN(C)CCC(=NNC1=CC=CC=C1)C2=CC=CC=C2.Cl","WMNKLMSUHCZMDI-ZJSKVYKZSA-N",9569913,NA,"PDBC42770","625220","Present",NA,NA
+"42771","N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[4-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]acetamide",NA,"CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)CC2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F)O","PBEZEHVFTUEBTH-OKCVXOCRSA-N",135968280,NA,"PDBC42771","748265","Present",NA,NA
+"42772","N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC(=NC=C3)C(F)(F)F)O","ZQDTXQOYYYIOBK-WKULSOCRSA-N",135968272,NA,"PDBC42772","747458","Present",NA,NA
+"42773","N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-4-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)NC3=CC(=NC=C3)C(F)(F)F)O","ROWXQQHVEFYQOE-WKULSOCRSA-N",135968274,NA,"PDBC42773","747460","Present",NA,NA
+"42774","N-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-2-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-2-[2-[(2Z)-2-[[4-(dimethylamino)phenyl]methylidene]hydrazinyl]-2-oxoethyl]sulfanylacetamide",NA,"CN(C)C1=CC=C(C=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=C(C=C2)N(C)C","YCVKGXMBVRPLKB-NQGGHMMCSA-N",54602438,NA,"PDBC42774","16878","Present",NA,NA
+"42775","N-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-3,4,5-trimethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4-(Dimethylamino)phenyl]methylideneamino]-3,4,5-trimethoxybenzamide",NA,"CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC(=C(C(=C2)OC)OC)OC","FOIRZUYWMMVDEI-UDWIEESQSA-N",6158638,NA,"PDBC42775","143343","Present",NA,NA
+"42776","N-[(E)-[4-[(E)-(Benzenesulfonylhydrazinylidene)methyl]phenyl]methylideneamino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4-[(E)-(Benzenesulfonylhydrazinylidene)methyl]phenyl]methylideneamino]benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC=C(C=C2)C=NNS(=O)(=O)C3=CC=CC=C3","RXDKVYZMLCDVMV-YHARCJFQSA-N",9569900,NA,"PDBC42776","623229","Present",NA,NA
+"42777","N-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide",NA,"C1=CC(=CC=C1C=NNC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O)N(CCCl)CCCl","RALUPMDCOQIOIS-AFUMVMLFSA-N",9615407,NA,"PDBC42777","79687","Present",NA,NA
+"42778","N-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]quinolin-4-amine",NA,"C1=CC=C2C(=C1)C(=CC=N2)NN=CC3=CC=C(C=C3)N(CCCl)CCCl","BEIQUHPCCPRYMS-BUVRLJJBSA-N",9555375,NA,"PDBC42778","313935","Present",NA,NA
+"42779","N-[(E)-[5-Fluoro-2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]-4-methylsulfonylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-fluoro-2-(4-(methylsulfonyl)phenyl)-3-((2-(4-(methylsu...",NA,"CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)C=NNC4=CC=C(C=C4)S(=O)(=O)C","BSGVCDAAXBXLJE-AFUMVMLFSA-N",155808027,NA,"PDBC42779","801891","Present",NA,NA
+"42780","N-[(E)-[5-[4-Methoxy-3-(3-methoxy-4-methylphenyl)phenyl]-3-nitrofuran-2-yl]methylideneamino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[5-[4-Methoxy-3-(3-methoxy-4-methylphenyl)phenyl]-3-nitrofuran-2-yl]methylideneamino]pyridine-4-carboxamide",NA,"CC1=C(C=C(C=C1)C2=C(C=CC(=C2)C3=CC(=C(O3)C=NNC(=O)C4=CC=NC=C4)[N+](=O)[O-])OC)OC","AHMKICSBJKVXCO-RWPZCVJISA-N",9555887,NA,"PDBC42780","647252","Present",NA,NA
+"42781","N-[(E)-[6-(2,5-Dimethylanilino)-1-(4-hydroxyphenyl)-2-methyl-1,6-dioxohexan-3-ylidene]amino]-2-hydroxynaphthalene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[6-(2,5-Dimethylanilino)-1-(4-hydroxyphenyl)-2-methyl-1,6-dioxohexan-3-ylidene]amino]-2-hydroxynaphthalene-1-carboxamide",NA,"CC1=CC(=C(C=C1)C)NC(=O)CCC(=NNC(=O)C2=C(C=CC3=CC=CC=C32)O)C(C)C(=O)C4=CC=C(C=C4)O","DARIHMOCHDYXKU-JJNGWGCYSA-N",9555801,NA,"PDBC42781","630357","Present",NA,NA
+"42782","N-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]-4,5-dihydro-1H-imidazol-2-amine;hydrobromide",NA,"CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NNC4=NCCN4.Br","NRPMDCPOMLBRHB-YYJLQXKGSA-N",24204008,NA,"PDBC42782","730327","Present",NA,NA
+"42783","N-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[6-(4-Chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]pyridin-2-amine;hydrochloride",NA,"CC1=CN2C(=C(N=C2S1)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])C=NNC4=CC=CC=N4.Cl","OGZIGVKEDRSEPW-CSFJJMQLSA-N",24204010,NA,"PDBC42783","730328","Present",NA,NA
+"42784","N-[(E)-[Cyclohexyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[Cyclohexyl(pyridin-2-yl)methylidene]amino]-1,3-benzothiazol-2-amine",NA,"C1CCC(CC1)C(=NNC2=NC3=CC=CC=C3S2)C4=CC=CC=N4","WIILCPRVAPFCTN-RELWKKBWSA-N",9572557,NA,"PDBC42784","720197","Present",NA,NA
+"42785","N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]-1H-benzimidazol-2-amine",NA,"C1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3N2)C4=CC=CC=N4","ANXLJXKOSUQTNO-PTGBLXJZSA-N",9572555,NA,"PDBC42785","720193","Present",NA,NA
+"42786","N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[Phenyl(pyridin-2-yl)methylidene]amino]quinolin-2-amine",NA,"C1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3C=C2)C4=CC=CC=N4","OMPFOEQSNRLYEL-NJNXFGOHSA-N",6512080,NA,"PDBC42786","332996","Present",NA,NA
+"42787","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC=CC=C3OC","OOKACWYQPRJAKK-UEWXSIHKSA-N",135505233,NA,"PDBC42787","706153","Present",NA,NA
+"42788","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(2-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC=CC=C3C","CNYPBBCKYVQRBR-UEWXSIHKSA-N",135505231,NA,"PDBC42788","706151","Present",NA,NA
+"42789","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC(=CC=C3)OC","ARUAPOGJJSATMT-UEWXSIHKSA-N",135505235,NA,"PDBC42789","706155","Present",NA,NA
+"42790","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC=CC(=C3)C","SOJOBFGEBMGKFF-UEWXSIHKSA-N",135505232,NA,"PDBC42790","706152","Present",NA,NA
+"42791","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC(=CC=C3)[N+](=O)[O-]","RSRDJAVRDJIATJ-MTHGECESSA-N",135505236,NA,"PDBC42791","706156","Present",NA,NA
+"42792","N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)OC)N=NC3=CC=C(C=C3)OC","MNEFCAVMJFMBBU-UEWXSIHKSA-N",135505234,NA,"PDBC42792","706154","Present",NA,NA
+"42793","N-[(Hexahydro-1,3-dioxo-5beta,8beta-methano-1H-[1,2,4]triazolo[1,2-a]pyridazin)-2-yl]-S,S-dimethylsulfoximide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,7S)-4-[[Dimethyl(oxo)-lambda6-sulfanylidene]amino]-2,4,6-triazatricyclo[5.2.1.02,6]decane-3,5-dione",NA,"CS(=NN1C(=O)N2C3CCC(C3)N2C1=O)(=O)C","IWVJNPRKJPDLKL-KNVOCYPGSA-N",396798,NA,"PDBC42793","703777","Present",NA,NA
+"42794","N-[(R)-1-(9-Anthryl)ethyl]-4-chloro-6-methoxy-1,3,5-triazine-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(R)-1-(9-Anthryl)ethyl]-4-chloro-6-methoxy-1,3,5-triazine-2-amine",NA,"CC(C1=C2C=CC=CC2=CC3=CC=CC=C31)NC4=NC(=NC(=N4)Cl)OC","JGBQYJWIBDYWOM-GFCCVEGCSA-N",402908,NA,"PDBC42794","717230","Present",NA,NA
+"42795","N-[(R)-1-Phenylethyl]-4-[[[3-(3-phenoxyphenyl)acryloyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(R)-1-Phenylethyl]-4-[[[3-(3-phenoxyphenyl)acryloyl]amino]methyl]benzamide",NA,"CC(C1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C=CC3=CC(=CC=C3)OC4=CC=CC=C4","LAKIVZHZYOAQEW-VEYZUFFBSA-N",5470483,NA,"PDBC42795","702129","Present",NA,NA
+"42796","N-[(S)-1-(Methoxycarbonyl)ethyl]-6-[[[(S)-2-(tert-butyloxycarbonylamino)propionyl]amino]methyl]-6,7-dihydro-5H-dibenzo[a,c]cycloheptene-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2S)-2-[[9-[[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]methyl]tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaene-9-carbonyl]amino]propanoate",NA,"CC(C(=O)NCC1(CC2=CC=CC=C2C3=CC=CC=C3C1)C(=O)NC(C)C(=O)OC)NC(=O)OC(C)(C)C","CXBVHIMUGYMAQL-OALUTQOASA-N",5471089,NA,"PDBC42796","708388","Present",NA,NA
+"42797","N-[(S)-1-Benzofuran-2-yl-(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(S)-1-Benzofuran-2-yl-(4-chlorophenyl)methyl]-N-(2,2-dimethoxyethyl)formamide",NA,"COC(CN(C=O)C(C1=CC=C(C=C1)Cl)C2=CC3=CC=CC=C3O2)OC","AZYRBWYTIVGKAD-FQEVSTJZSA-N",403352,NA,"PDBC42797","718144","Present",NA,NA
+"42798","N-[(Z)-(1'-Iodo-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-ylidene)amino]-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-(1'-Iodo-2'-oxospiro[cyclohex-2-ene-4,3'-indole]-1-ylidene)amino]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(C=C2)C4=CC=CC=C4N(C3=O)I","ARABGRUWUDGFHK-PXLXIMEGSA-N",6081340,NA,"PDBC42798","694681","Present",NA,NA
+"42799","N-[(Z)-(11-Hydroxy-1,4,4,7-tetramethyl-3-tricyclo[5.3.1.02,6]undecanylidene)amino]-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-(11-Hydroxy-1,4,4,7-tetramethyl-3-tricyclo[5.3.1.02,6]undecanylidene)amino]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3C(CC2(C)C)C4(CCCC3(C4O)C)C","NMSDNZCGHSBWGX-NKFKGCMQSA-N",6063273,NA,"PDBC42799","670165","Present",NA,NA
+"42800","N-[(Z)-(2,4,7-Trinitrofluoren-9-ylidene)amino]-10H-anthracen-9-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Fluoren-9-one, 2,4,7-trinitro-, (9,10-dihydroanthrace...",NA,"C1C2=CC=CC=C2C(=NN=C3C4=C(C=CC(=C4)[N+](=O)[O-])C5=C3C=C(C=C5[N+](=O)[O-])[N+](=O)[O-])C6=CC=CC=C61","IUKHXDTZYAUMLP-OHYPFYFLSA-N",5778945,NA,"PDBC42800","658139","Present",NA,NA
+"42801","N-[(Z)-(2-Hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-(2-Hydroxynaphthalen-1-yl)methylideneamino]cyclopropanecarboxamide",NA,"C1CC1C(=O)NN=CC2=C(C=CC3=CC=CC=C32)O","BJRRKRXUCGHUGX-SXGWCWSVSA-N",135460295,NA,"PDBC42801","72881","Present",NA,NA
+"42802","N-[(Z)-(3-Ethoxycyclohex-2-en-1-ylidene)amino]-4-nitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-(3-Ethoxycyclohex-2-en-1-ylidene)amino]-4-nitroaniline",NA,"CCOC1=CC(=NNC2=CC=C(C=C2)[N+](=O)[O-])CCC1","OWHSVAANAHWCAK-VBKFSLOCSA-N",5978780,NA,"PDBC42802","400655","Present",NA,NA
+"42803","N-[(Z)-(4-Acetyl-5'-bromo-2'-oxospiro[1,3,4-thiadiazolidine-5,3'-1H-indole]-2-ylidene)amino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-(4-Acetyl-5'-bromo-2'-oxospiro[1,3,4-thiadiazolidine-5,3'-1H-indole]-2-ylidene)amino]acetamide",NA,"CC(=O)NN=C1NN(C2(S1)C3=C(C=CC(=C3)Br)NC2=O)C(=O)C","PKKSXWANCRIZKT-UHFFFAOYSA-N",135489791,NA,"PDBC42803","674463","Present",NA,NA
+"42804","N-[(Z)-(4-Acetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazolidine-5,3'-1H-indole]-2-ylidene)amino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-(4-Acetyl-5'-methyl-2'-oxospiro[1,3,4-thiadiazolidine-5,3'-1H-indole]-2-ylidene)amino]acetamide",NA,"CC1=CC2=C(C=C1)NC(=O)C23N(NC(=NNC(=O)C)S3)C(=O)C","YKIYARKYGCEEAG-UHFFFAOYSA-N",135489790,NA,"PDBC42804","674462","Present",NA,NA
+"42805","N-[(Z)-1-(1-Adamantyl)-3-(4-bromophenyl)iminoprop-1-enyl]-4-bromoaniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-(1-Adamantyl)-3-(4-bromophenyl)iminoprop-1-enyl]-4-bromoaniline;hydrochloride",NA,"C1C2CC3CC1CC(C2)(C3)C(=CC=NC4=CC=C(C=C4)Br)NC5=CC=C(C=C5)Br.Cl","IDAQPYXNNGHEKM-DZQRZYCYSA-N",5471287,NA,"PDBC42805","710280","Present",NA,NA
+"42806","N-[(Z)-1-(1-Adamantyl)-3-phenyliminoprop-1-enyl]aniline;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-(1-Adamantyl)-3-phenyliminoprop-1-enyl]aniline;hydrochloride",NA,"C1C2CC3CC1CC(C2)(C3)C(=CC=NC4=CC=CC=C4)NC5=CC=CC=C5.Cl","YQHJBQTWIQNKDT-UTXZMSSOSA-N",5471285,NA,"PDBC42806","710279","Present",NA,NA
+"42807","N-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(3-nitrophenyl)ethenyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=CC=CC=C4N3","USBSTTXNMOCCKC-ZHZULCJRSA-N",5386843,NA,"PDBC42807","618434","Present",NA,NA
+"42808","N-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-methoxyphenyl)ethenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-(1H-Benzimidazol-2-yl)-2-(4-methoxyphenyl)ethenyl]benzamide",NA,"COC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3N2)NC(=O)C4=CC=CC=C4","SDSKUNAIXSLGMO-QNGOZBTKSA-N",5386844,NA,"PDBC42808","618436","Present",NA,NA
+"42809","N-[(Z)-1-(2-Pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; trichloroplatinum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-(2-Pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide; trichloroplatinum",NA,NA,NA,NA,NA,"PDBC42809","364433","Present",NA,NA
+"42810","N-[(Z)-1-(4-Methylphenyl)ethylideneamino]-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]anilino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-(4-Methylphenyl)ethylideneamino]-2-[2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]anilino]benzamide",NA,"CC1=CC=C(C=C1)C(=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=C(C)C4=CC=C(C=C4)C)C","DLHOFGXRAAUKLY-MHCOGVSMSA-N",5493586,NA,"PDBC42810","698453","Present",NA,NA
+"42811","N-[(Z)-1-Dimethoxyphosphoryl-2-(3-trityl-1,2-dihydroimidazol-5-yl)ethenyl]formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-Dimethoxyphosphoryl-2-(3-trityl-1,2-dihydroimidazol-5-yl)ethenyl]formamide",NA,"COP(=O)(C(=CC1=CN(CN1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)NC=O)OC","WAEOKINVFKZWOU-ITYLOYPMSA-N",5468402,NA,"PDBC42811","669683","Present",NA,NA
+"42812","N-[(Z)-1-[(2-Tert-butylhydrazino)carbonyl]-2-(4-nitrophenyl)vinyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-[(2-Tert-butylhydrazino)carbonyl]-2-(4-nitrophenyl)vinyl]benzamide",NA,"CC(C)(C)NNC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2","NYXYILHCWMNLJS-LGMDPLHJSA-N",6474139,NA,"PDBC42812","642630","Present",NA,NA
+"42813","N-[(Z)-1-[4-[(Z)-2-Benzamido-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-enyl]phenyl]-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-[4-[(Z)-2-Benzamido-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-enyl]phenyl]-3-(2-carbamothioylhydrazinyl)-3-oxoprop-1-en-2-yl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C(=O)NNC(=S)N)NC(=O)C3=CC=CC=C3)C(=O)NNC(=S)N","MVPRQODAEHJIRO-BMJUYKDLSA-N",6474143,NA,"PDBC42813","647248","Present",NA,NA
+"42814","N-[(Z)-1-{[2-(5-Chloro-6-hydroxypyridazin-4-yl)-2-methylhydrazino]carbonyl}-2-(4-chlorophenyl)vinyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-3-[2-(5-Chloro-6-oxo-1H-pyridazin-4-yl)-2-methylhydrazinyl]-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]benzamide",NA,"CN(C1=C(C(=O)NN=C1)Cl)NC(=O)C(=CC2=CC=C(C=C2)Cl)NC(=O)C3=CC=CC=C3","DVEWTAYXRIPZNQ-WJDWOHSUSA-N",5467754,NA,"PDBC42814","658797","Present",NA,NA
+"42815","N-[(Z)-1-{[2-(7-Chloroquinolin-4-yl)-2-methylhydrazino]carbonyl}-2-(3,4-dimethoxyphenyl)vinyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-3-[2-(7-Chloroquinolin-4-yl)-2-methylhydrazinyl]-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide",NA,"CN(C1=C2C=CC(=CC2=NC=C1)Cl)NC(=O)C(=CC3=CC(=C(C=C3)OC)OC)NC(=O)C4=CC=CC=C4","IVEJNJGPDVKCDI-HAHDFKILSA-N",5467810,NA,"PDBC42815","659397","Present",NA,NA
+"42816","N-[(Z)-1-{[2-(7-Chloroquinolin-4-yl)-2-methylhydrazino]carbonyl}-2-(4-hydroxyphenyl)vinyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1-{[2-(7-Chloroquinolin-4-yl)-2-methylhydrazino]carbonyl}-2-(4-hydroxyphenyl)vinyl]benzamide",NA,"CN(C1=C2C=CC(=CC2=NC=C1)Cl)NC(=O)C(=CC3=CC=C(C=C3)O)NC(=O)C4=CC=CC=C4","CSGFWVQUUMEHMU-HAHDFKILSA-N",6474146,NA,"PDBC42816","658345","Present",NA,NA
+"42817","N-[(Z)-1H-Indol-3-ylmethylideneamino]-2-nitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-1H-Indol-3-ylmethylideneamino]-2-nitroaniline",NA,"C1=CC=C2C(=C1)C(=CN2)C=NNC3=CC=CC=C3[N+](=O)[O-]","JZUFKEQJFQIJPR-YVLHZVERSA-N",135545695,NA,"PDBC42817","135854","Present",NA,NA
+"42818","N-[(Z)-2-[2-[(Z)-2-Acetamido-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-2-[2-[(Z)-2-Acetamido-2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]phenyl]-1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethenyl]acetamide",NA,"CC1=CC2=C(C=C1C)N=C(N2)C(=CC3=CC=CC=C3C=C(C4=NC5=C(N4)C=C(C(=C5)C)C)NC(=O)C)NC(=O)C","SPLJNJTWZWEWQS-VHUXLRGGSA-N",5386905,NA,"PDBC42818","618619","Present",NA,NA
+"42819","N-[(Z)-2-[4-(Acetylamino)phenyl]-1-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)vinyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-2-[4-(Acetylamino)phenyl]-1-({2-[(4-methylphenyl)sulfonyl]hydrazino}carbonyl)vinyl]benzamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=CC2=CC=C(C=C2)NC(=O)C)NC(=O)C3=CC=CC=C3","XGWJBMBZOJGSOD-KQWNVCNZSA-N",5466764,NA,"PDBC42819","642623","Present",NA,NA
+"42820","N-[(Z)-2-[4-[(Z)-2-Benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-2-[4-[(Z)-2-Benzamido-2-(6-methyl-1H-benzimidazol-2-yl)ethenyl]-3-methylphenyl]-1-(6-methyl-1H-benzimidazol-2-yl)ethenyl]benzamide",NA,"CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)C=C(C4=NC5=C(N4)C=C(C=C5)C)NC(=O)C6=CC=CC=C6)C)NC(=O)C7=CC=CC=C7","HVLDVXZJLFFUDN-IEXCSMOPSA-N",5386833,NA,"PDBC42820","618403","Present",NA,NA
+"42821","N-[(Z)-3-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-4-phenylbut-2-en-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-3-[(4S,5S)-5-[(4R)-2,2-Dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxo-4-phenylbut-2-en-2-yl]benzamide",NA,"CC(=C(C1C(OC(O1)(C)C)C2COC(O2)(C)C)C(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4","RNQHJAUDECDLLW-DDVBNKGPSA-N",5471650,NA,"PDBC42821","712580","Present",NA,NA
+"42822","N-[(Z)-Anthracen-9-ylmethylideneamino]-N-ethylethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680476",NA,"CCN(CC)N=CC1=C2C=CC=CC2=CC3=CC=CC=C31","JBECARDKNUOKGS-ZHZULCJRSA-N",5918841,NA,"PDBC42822","680476","Present",NA,NA
+"42823","N-[(Z)-Pyrano[3,2-b]pyridin-4-ylideneamino]-4-pyrimidin-2-ylpiperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N'-(2H-pyrano[3,2-b]pyridin-4(3H)-ylidene)-4-(pyrimi...",NA,"C1CN(CCN1C2=NC=CC=N2)C(=O)NN=C3C=COC4=C3N=CC=C4","CDIOIVMKMOUVRG-BKUYFWCQSA-N",155813572,NA,"PDBC42823","788437","Present",NA,NA
+"42824","N-[(Z)-[(E)-1-[4-Methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]-3-[4-[(E,3Z)-3-[4-methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]prop-1-enyl]phenyl]prop-2-enylidene]amino]-2-pyridin-1-ium-1-ylacetamide;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[(E)-1-[4-Methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]-3-[4-[(E,3E)-3-[4-methyl-2-(4-methyl-2-nitroanilino)-1,3-thiazol-5-yl]-3-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]prop-1-enyl]",NA,"CC1=CC(=C(C=C1)NC2=NC(=C(S2)C(=NNC(=O)C[N+]3=CC=CC=C3)C=CC4=CC=C(C=C4)C=CC(=NNC(=O)C[N+]5=CC=CC=C5)C6=C(N=C(S6)NC7=C(C=C(C=C7)C)[N+](=O)[O-])C)C)[N+](=O)[O-].[Cl-]","CBIUPSAIZUTMSN-UHFFFAOYSA-O",54602069,NA,"PDBC42824","640342","Present",NA,NA
+"42825","N-[(Z)-[1-Amino-2-(4-chlorophenoxy)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[1-Amino-2-(4-chlorophenoxy)ethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC(=CC=C1OCC(=NNC(=O)C2=CC=NC=C2)N)Cl","AVFYIYMHWPKLIE-UHFFFAOYSA-N",5481626,NA,"PDBC42825","703880","Present",NA,NA
+"42826","N-[(Z)-[1-Amino-2-(4-methoxyphenoxy)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[1-Amino-2-(4-methoxyphenoxy)ethylidene]amino]pyridine-4-carboxamide",NA,"COC1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N","CEUOXLGOEFVAJO-UHFFFAOYSA-N",5481623,NA,"PDBC42826","703879","Present",NA,NA
+"42827","N-[(Z)-[1-[4-Chloro-3-(trifluoromethyl)anilino]-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxobutan-2-ylidene]amino]-2-hydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[1-[4-Chloro-3-(trifluoromethyl)anilino]-4-(7-methoxy-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)-1,4-dioxobutan-2-ylidene]amino]-2-hydroxybenzamide",NA,"CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)CC(=NNC(=O)C3=CC=CC=C3O)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","KLTYFQNERSSKLA-GXBUFBABSA-N",5839949,NA,"PDBC42827","635534","Present",NA,NA
+"42828","N-[(Z)-[2-(2-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(2-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC=C(C(=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3)Cl","ACVSBESZIOOPFQ-RELUDPEDSA-N",9572116,NA,"PDBC42828","703891","Present",NA,NA
+"42829","N-[(Z)-[2-(2-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(2-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC=C(C(=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3)Cl","JXDPXHLSNCLEIO-RELUDPEDSA-N",9572112,NA,"PDBC42829","703883","Present",NA,NA
+"42830","N-[(Z)-[2-(2-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(2-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"COC1=CC=CC=C1OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3","STSRMEPNXJONRQ-NBCNTDSCSA-N",9572118,NA,"PDBC42830","703894","Present",NA,NA
+"42831","N-[(Z)-[2-(2-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(2-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"COC1=CC=CC=C1OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","PMBZHMYWCRPFMV-NBCNTDSCSA-N",9572113,NA,"PDBC42831","703886","Present",NA,NA
+"42832","N-[(Z)-[2-(3-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(3-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC(=CC(=C1)Cl)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3","YLYZKIDIQNIIFB-RELUDPEDSA-N",9572117,NA,"PDBC42832","703892","Present",NA,NA
+"42833","N-[(Z)-[2-(3-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(3-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC(=CC(=C1)Cl)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","UNVKTRZHESONTG-RELUDPEDSA-N",5481634,NA,"PDBC42833","703884","Present",NA,NA
+"42834","N-[(Z)-[2-(3-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(3-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"COC1=CC(=CC=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3","NFTHDVCOGMUNIC-NBCNTDSCSA-N",9572119,NA,"PDBC42834","703895","Present",NA,NA
+"42835","N-[(Z)-[2-(3-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(3-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"COC1=CC(=CC=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","WQLIAEGRYIAAQM-NBCNTDSCSA-N",9572114,NA,"PDBC42835","703887","Present",NA,NA
+"42836","N-[(Z)-[2-(4-Acetamidophenoxy)-1-aminoethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(4-Acetamidophenoxy)-1-aminoethylidene]amino]pyridine-4-carboxamide",NA,"CC(=O)NC1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N","FVGLANAIYYJKNU-UHFFFAOYSA-N",5481628,NA,"PDBC42836","703881","Present",NA,NA
+"42837","N-[(Z)-[2-(4-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(4-Chlorophenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC(=CN=C1)C=NC(=NNC(=O)C2=CC=NC=C2)COC3=CC=C(C=C3)Cl","GQCQKHGHIULUAB-RELUDPEDSA-N",5481630,NA,"PDBC42837","703893","Present",NA,NA
+"42838","N-[(Z)-[2-(4-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(4-Chlorophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC(=CC=C1OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3)Cl","ASXGKTZMPMYHDS-RELUDPEDSA-N",5481635,NA,"PDBC42838","703885","Present",NA,NA
+"42839","N-[(Z)-[2-(4-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(4-Methoxyphenoxy)-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"COC1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3","PWVWHXBEWXVPTO-NBCNTDSCSA-N",9572120,NA,"PDBC42839","703896","Present",NA,NA
+"42840","N-[(Z)-[2-(4-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(4-Methoxyphenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"COC1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","TXVAQYPAECVCPY-NBCNTDSCSA-N",5481633,NA,"PDBC42840","703888","Present",NA,NA
+"42841","N-[(Z)-[2-(4-Nitrophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-(4-Nitrophenoxy)-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC(=CC=C1[N+](=O)[O-])OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","WDAMHJASFWQREE-LGPRKWHSSA-N",9572115,NA,"PDBC42841","703889","Present",NA,NA
+"42842","N-[(Z)-[2-Hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-(2-hydroxy-1-(6-nitro-3-oxo-3,4-dihydroquinoxalin-2-y...",NA,"C1=CC(=CC=C1C(C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)O)[N+](=O)[O-]","NRXNHUUMJUALEI-ITYLOYPMSA-N",135499158,NA,"PDBC42842","641601","Present",NA,NA
+"42843","N-[(Z)-[2-Phenoxy-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-Phenoxy-1-(pyridin-3-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CN=CC=C3","KNOYUSNIBWOQLM-TUTFOIQTSA-N",5481629,NA,"PDBC42843","703890","Present",NA,NA
+"42844","N-[(Z)-[2-Phenoxy-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[2-Phenoxy-1-(pyridin-4-ylmethylideneamino)ethylidene]amino]pyridine-4-carboxamide",NA,"C1=CC=C(C=C1)OCC(=NNC(=O)C2=CC=NC=C2)N=CC3=CC=NC=C3","GPXWFTSRQNAXKT-TUTFOIQTSA-N",9572111,NA,"PDBC42844","703882","Present",NA,NA
+"42845","N-[(Z)-[4-(4-Chlorophenyl)-3-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-2-[(4-oxo-3H-phthalazin-1-yl)oxy]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-(4-Chlorophenyl)-3-(4-methylphenyl)-1,3-thiazol-2-ylidene]amino]-2-[(4-oxo-3H-phthalazin-1-yl)oxy]acetamide",NA,"CC1=CC=C(C=C1)N2C(=CSC2=NNC(=O)COC3=NNC(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl","SMICQSHPCSFKTM-ZXPTYKNPSA-N",9572699,NA,"PDBC42845","724513","Present",NA,NA
+"42846","N-[(Z)-[4-(4-Hydroxy-2-oxo-4a,8a-dihydrochromen-3-yl)-4-phenyl-3-(piperidin-1-ylmethyl)butan-2-ylidene]amino]-2-sulfamoylbenzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-(aminosulfonyl)-, 2-[[[1-methyl- 2-(2-ox...",NA,"CC(=NNC(=O)C1=CC=CC=C1S(=O)(=O)N)C(CN2CCCCC2)C(C3=CC=CC=C3)C4=C(C5C=CC=CC5OC4=O)O.Cl","IDXQHBOWTQELJV-SWHIUVNFSA-N",54692924,NA,"PDBC42846","647408","Present",NA,NA
+"42847","N-[(Z)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-3-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzamide",NA,"CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC(=CC=C2)NC3=CC(=NC=C3)C(F)(F)F)O","NQQWKMSKCBBMGF-FDVSRXAVSA-N",135968276,NA,"PDBC42847","747457","Present",NA,NA
+"42848","N-[(Z)-[4-Anilino-3-[(dibutylamino)methyl]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-Anilino-3-[(dibutylamino)methyl]-4-oxobutan-2-ylidene]amino]pyridine-4-carboxamide",NA,"CCCCN(CCCC)CC(C(=NNC(=O)C1=CC=NC=C1)C)C(=O)NC2=CC=CC=C2","JGTIVQGUKNVHLB-RRAHZORUSA-N",5868573,NA,"PDBC42848","641829","Present",NA,NA
+"42849","N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-chlorophenyl]methylideneamino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-chlorophenyl]methylideneamino]pyridine-3-carboxamide",NA,"C1=CC(=CN=C1)C(=O)NN=CC2=C(C=C(C=C2)N(CCCl)CCCl)Cl","QSEQKPVQNFUNRE-UUYOSTAYSA-N",6252761,NA,"PDBC42849","101490","Present",NA,NA
+"42850","N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]pyridine-3-carboxamide",NA,"CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=O)C2=CN=CC=C2","DASAJPZSXSWVBU-XKZIYDEJSA-N",5984534,NA,"PDBC42850","90903","Present",NA,NA
+"42851","N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-nitrophenyl]methylideneamino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-[Bis(2-chloroethyl)amino]-2-nitrophenyl]methylideneamino]pyridine-3-carboxamide",NA,"C1=CC(=CN=C1)C(=O)NN=CC2=C(C=C(C=C2)N(CCCl)CCCl)[N+](=O)[O-]","QYXBSMWSAKGJML-MTJSOVHGSA-N",6154351,NA,"PDBC42851","103330","Present",NA,NA
+"42852","N-[(Z)-[4-[Bis(2-chloroethyl)amino]phenyl]methylideneamino]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nicotinic acid, [p-[bis(2-chloroethyl)amino]benzylidene]...",NA,"C1=CC(=CN=C1)C(=O)NN=CC2=CC=C(C=C2)N(CCCl)CCCl","COVXLRKMGDYPCL-MTJSOVHGSA-N",5867877,NA,"PDBC42852","90904","Present",NA,NA
+"42853","N-[(Z)-[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]methylideneamino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[4-[Bis(2-cyanoethyl)amino]-2-methoxyphenyl]methylideneamino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=CC2=C(C=C(C=C2)N(CCC#N)CCC#N)OC","VLCFCKBWQRVPES-XYGWBWBKSA-N",54612621,NA,"PDBC42853","706150","Present",NA,NA
+"42854","N-[(Z)-[Amino(pyridin-2-yl)methylidene]amino]-1,3-benzothiazole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[Amino(pyridin-2-yl)methylidene]amino]-1,3-benzothiazole-2-carboxamide",NA,"C1=CC=C2C(=C1)N=C(S2)C(=O)NN=C(C3=CC=CC=N3)N","OXCNPSRJNIOXPR-UHFFFAOYSA-N",9572291,NA,"PDBC42854","710359","Present",NA,NA
+"42855","N-[(Z)-[Phenyl(pyridazin-3-yl)methylidene]amino]pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[Phenyl(pyridazin-3-yl)methylidene]amino]pyridin-2-amine",NA,"C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=NN=CC=C3","VPFCERLFGVKDAW-PGMHBOJBSA-N",6418605,NA,"PDBC42855","693623","Present",NA,NA
+"42856","N-[(Z)-[Phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[Phenyl(pyridin-2-yl)methylidene]amino]pyrimidin-4-amine",NA,"C1=CC=C(C=C1)C(=NNC2=NC=NC=C2)C3=CC=CC=N3","GIWZVVFHOPDRFU-PGMHBOJBSA-N",5918602,NA,"PDBC42856","693619","Present",NA,NA
+"42857","N-[(Z)-[Phenyl(pyridin-2-yl)methylidene]amino]quinoxalin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[Phenyl(pyridin-2-yl)methylidene]amino]quinoxalin-2-amine",NA,"C1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3N=C2)C4=CC=CC=N4","ABENIOILAHIGEQ-QQTULTPQSA-N",5869744,NA,"PDBC42857","693626","Present",NA,NA
+"42858","N-[(Z)-[Phenyl(pyrimidin-2-yl)methylidene]amino]pyrazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[Phenyl(pyrimidin-2-yl)methylidene]amino]pyrazin-2-amine",NA,"C1=CC=C(C=C1)C(=NNC2=NC=CN=C2)C3=NC=CC=N3","APLKMCNBLJUBDB-STZFKDTASA-N",5905062,NA,"PDBC42858","693621","Present",NA,NA
+"42859","N-[(Z)-[[(2-Chlorophenyl)diazenyl]-[4-(dimethylamino)phenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[(2-Chlorophenyl)diazenyl]-[4-(dimethylamino)phenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=CC=C3Cl","TZTVCXVGFZVWIZ-UVAYCXRGSA-N",135505191,NA,"PDBC42859","704098","Present",NA,NA
+"42860","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(2-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(2-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=CC=C3[N+](=O)[O-]","PBQCVPWSFJZYEV-WEHBVBAVSA-N",135505194,NA,"PDBC42860","704101","Present",NA,NA
+"42861","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC(=CC=C3)OC","FHXHOSMJBRZFCK-JZAMBYSNSA-N",135505192,NA,"PDBC42861","704099","Present",NA,NA
+"42862","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=CC(=C3)C","HYBJXCXREQRZMF-JZAMBYSNSA-N",135505189,NA,"PDBC42862","704096","Present",NA,NA
+"42863","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC(=CC=C3)[N+](=O)[O-]","IDTITUILFMAGOQ-WEHBVBAVSA-N",135505195,NA,"PDBC42863","704102","Present",NA,NA
+"42864","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(4-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=C(C=C3)OC","FAOHROBJSWOSPK-JZAMBYSNSA-N",135505193,NA,"PDBC42864","704100","Present",NA,NA
+"42865","N-[(Z)-[[4-(Dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-(Dimethylamino)phenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=C(C=C3)C","DKULMVZYSRSXNH-JZAMBYSNSA-N",135505190,NA,"PDBC42865","704097","Present",NA,NA
+"42866","N-[(Z)-[[4-(Dimethylamino)phenyl]-phenyldiazenylmethylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-(Dimethylamino)phenyl]-phenyldiazenylmethylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=CC=C(C=C2)N(C)C)N=NC3=CC=CC=C3","AZBCJHFPGAWQEC-WEHBVBAVSA-N",135505188,NA,"PDBC42866","704095","Present",NA,NA
+"42867","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(2-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=CC=C3OC","QLQSGAWTYOFNDE-WVGCUDDDSA-N",135505183,NA,"PDBC42867","703552","Present",NA,NA
+"42868","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-chlorophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-chlorophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC(=CC=C3)Cl","MFWHYLWWGJORLW-BJPWPYEYSA-N",135505182,NA,"PDBC42868","703551","Present",NA,NA
+"42869","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-methoxyphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC(=CC=C3)OC","MRLHGUOKJHYMTQ-WVGCUDDDSA-N",135505184,NA,"PDBC42869","703553","Present",NA,NA
+"42870","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=CC(=C3)C","NDPDYWVUYZSEAI-WVGCUDDDSA-N",135505180,NA,"PDBC42870","703549","Present",NA,NA
+"42871","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(3-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC(=CC=C3)[N+](=O)[O-]","TYNQHLZRBIDFPV-UTOKPOFNSA-N",135505185,NA,"PDBC42871","703554","Present",NA,NA
+"42872","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-methylphenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=C(C=C3)C","FSLXBXKPYUONSW-WVGCUDDDSA-N",135505181,NA,"PDBC42872","703550","Present",NA,NA
+"42873","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-[(4-nitrophenyl)diazenyl]methylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=C(C=C3)[N+](=O)[O-]","AINBTJJBNXYBOR-UTOKPOFNSA-N",135505186,NA,"PDBC42873","703555","Present",NA,NA
+"42874","N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-phenyldiazenylmethylidene]amino]-4-methylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z)-[[4-[Bis(2-cyanoethyl)amino]-2-methylphenyl]-phenyldiazenylmethylidene]amino]-4-methylbenzamide",NA,"CC1=CC=C(C=C1)C(=O)NN=C(C2=C(C=C(C=C2)N(CCC#N)CCC#N)C)N=NC3=CC=CC=C3","JWORRNRYVVPDNQ-UTOKPOFNSA-N",135505179,NA,"PDBC42874","703548","Present",NA,NA
+"42875","N-[(Z,3R)-5-Bromo-6-hydroxy-2-methylhex-4-en-3-yl]-2,4,6-trimethylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(Z,3R)-5-Bromo-6-hydroxy-2-methylhex-4-en-3-yl]-2,4,6-trimethylbenzenesulfonamide",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(C=C(CO)Br)C(C)C)C","URTQCNHSZIOURW-OWTLUSIOSA-N",5471498,NA,"PDBC42875","711792","Present",NA,NA
+"42876","N-[1,1,4-Trioxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1,1,4-trioxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazo...",NA,"C1C(=O)N(C(S1(=O)=O)C2=CC=C(C=C2)C(F)(F)F)NC(=O)C3=CC=NC=C3","HVHMTMSZACZCNX-UHFFFAOYSA-N",361555,NA,"PDBC42876","624736","Present",NA,NA
+"42877","N-[1,3-Bis(1,10-phenanthrolin-3-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1,3-Bis(1,10-phenanthrolin-3-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCC(=O)NC(COC4=CN=C5C(=C4)C=CC6=C5N=CC=C6)COC7=CN=C8C(=C7)C=CC9=C8N=CC=C9","SSEIDWJZBCFIIL-UHFFFAOYSA-N",401239,NA,"PDBC42877","714446","Present",NA,NA
+"42878","N-[1,3-Bis(1,10-phenanthroline-2-yloxy)propane-2-yl]-6-(6-chloro-2-methoxyacridine-9-ylamino)hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1,3-Bis(1,10-phenanthrolin-2-yloxy)propan-2-yl]-6-[(6-chloro-2-methoxyacridin-9-yl)amino]hexanamide",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCCCC(=O)NC(COC4=NC5=C(C=CC6=C5N=CC=C6)C=C4)COC7=NC8=C(C=CC9=C8N=CC=C9)C=C7","IGUBIFVXZRAHFS-UHFFFAOYSA-N",401238,NA,"PDBC42878","714445","Present",NA,NA
+"42879","N-[1,3-e]-1,2,4-Thiadiazin-3-yl]-l-tryptophan methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1,1-Dioxo-2-(3-isopropoxyphenyl)-2H-pyrido[4,3-e]-1,2...",NA,"CC(C)OC1=CC=CC(=C1)N2C(=NC(CC3=CNC4=CC=CC=C43)C(=O)OC)NC5=C(S2(=O)=O)C=NC=C5","XAWCDKPXEJBXGH-UHFFFAOYSA-N",135426717,NA,"PDBC42879","710902","Present",NA,NA
+"42880","N-[1,4-Dioxo-3-(pentan-2-ylamino)naphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1,4-Dioxo-3-(pentan-2-ylamino)naphthalen-2-yl]acetamide",NA,"CCCC(C)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","GSCFWULWWCZLND-UHFFFAOYSA-N",374266,NA,"PDBC42880","651767","Present",NA,NA
+"42881","N-[1,4-Dioxo-3-(pentan-3-ylamino)naphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1,4-Dioxo-3-(pentan-3-ylamino)naphthalen-2-yl]acetamide",NA,"CCC(CC)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","NLGZBVOCUVGDLH-UHFFFAOYSA-N",374267,NA,"PDBC42881","651768","Present",NA,NA
+"42882","N-[1,5-Bis(dimethylamino)pentan-3-ylidene]hydroxylamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632836",NA,"CN(C)CCC(=NO)CCN(C)C.Cl","IGCOKIBMCBNNGY-UHFFFAOYSA-N",365280,NA,"PDBC42882","632836","Present",NA,NA
+"42883","N-[1-(1-Benzothiophen-2-yl)cyclohexyl]cyclobutanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(1-Benzothiophen-2-yl)cyclohexyl]cyclobutanecarboxamide",NA,"C1CCC(CC1)(C2=CC3=CC=CC=C3S2)NC(=O)C4CCC4","KNTDRKOTMXQBBQ-UHFFFAOYSA-N",398380,NA,"PDBC42883","708093","Present",NA,NA
+"42884","N-[1-(1-Benzothiophen-2-yl)cyclohexyl]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(1-Benzothiophen-2-yl)cyclohexyl]pentanamide",NA,"CCCCC(=O)NC1(CCCCC1)C2=CC3=CC=CC=C3S2","ANMVVQHZFJQQJZ-UHFFFAOYSA-N",398381,NA,"PDBC42884","708094","Present",NA,NA
+"42885","N-[1-(1H-1,2,3-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1,3-butadien-1-yl]-2-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(1H-1,2,3-Benzotriazol-1-yl)-3,4,4-trichloro-2-nitro-1,3-butadien-1-yl]-2-methylaniline",NA,"CC1=CC=CC=C1NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N2C3=CC=CC=C3N=N2","ACVLETOIFWZJNK-BMRADRMJSA-N",1618705,NA,"PDBC42885","698396","Present",NA,NA
+"42886","N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethyl]-3,4,5-trimethoxyaniline",NA,"CC(C1=CC2=C(C=C1)OCCO2)NC3=CC(=C(C(=C3)OC)OC)OC","AEFITKCWECUSNC-UHFFFAOYSA-N",400585,NA,"PDBC42886","712708","Present",NA,NA
+"42887","N-[1-(2-Iodoethyl)-2-oxopyrimidin-4-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(2-Iodoethyl)-2-oxopyrimidin-4-yl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=NC(=O)N(C=C2)CCI","MQQBFARDAOVEBU-UHFFFAOYSA-N",367645,NA,"PDBC42887","637523","Present",NA,NA
+"42888","N-[1-(4-Methoxyphenyl)-2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]ethyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(4-Methoxyphenyl)-2-[2-(4-methoxyphenyl)-1,3-dithian-2-yl]ethyl]acetamide",NA,"CC(=O)NC(CC1(SCCCS1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC","FWXAKPJMNPESII-UHFFFAOYSA-N",400148,NA,"PDBC42888","711642","Present",NA,NA
+"42889","N-[1-(6-Methylpyridin-2-yl)ethylideneamino]piperidine-1-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperidinecarbothioic acid, 2-[1-(6-methyl- 2-pyridiny...",NA,"CC1=NC(=CC=C1)C(=NNC(=S)N2CCCCC2)C","PVHGAKSBSCSRFX-FOWTUZBSSA-N",5494351,NA,"PDBC42889","673831","Present",NA,NA
+"42890","N-[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-5-nitro-1-benzothiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-5-nitro-1-benzothiophene-2-carboxamide",NA,"CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)NC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-])S(=O)(=O)C6=CC=CC=C6","JBMHOLVQEZEKHB-UHFFFAOYSA-N",396964,NA,"PDBC42890","704201","Present",NA,NA
+"42891","N-[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylacetamide",NA,"CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)C(=O)C)S(=O)(=O)C4=CC=CC=C4","VDMDHQCHZWBPMT-UHFFFAOYSA-N",396962,NA,"PDBC42891","704199","Present",NA,NA
+"42892","N-[1-(Benzenesulfonyl)-7-hydroxy-3-methyl-4-nitroindol-5-yl]-N-prop-2-enylmethanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(Benzenesulfonyl)-7-hydroxy-3-methyl-4-nitroindol-5-yl]-N-prop-2-enylmethanesulfonamide",NA,"CC1=CN(C2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)O)S(=O)(=O)C3=CC=CC=C3","ZHCXIPBCTWDMAE-UHFFFAOYSA-N",396965,NA,"PDBC42892","704202","Present",NA,NA
+"42893","N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(Biphenyl-4-yl)ethyl]-3,4-dichlorobenzamide",NA,"CC(C1=CC=C(C=C1)C2=CC=CC=C2)NC(=O)C3=CC(=C(C=C3)Cl)Cl","FBKXMUJLHIWBRY-UHFFFAOYSA-N",305114,NA,"PDBC42893","201863","Present",NA,NA
+"42894","N-[1-(Chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]-2-methyl-2-(2-nitrophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(Chloromethyl)-3-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-1,2-dihydrobenzo[e]indol-5-yl]-2-methyl-2-(2-nitrophenyl)propanamide",NA,"CC(C)(C1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C(CN3C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)C6=CC=CC=C62","NMYFNKLLVZCRID-UHFFFAOYSA-N",394231,NA,"PDBC42894","697535","Present",NA,NA
+"42895","N-[1-(Dimethylamino)propan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-(Dimethylamino)propan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide",NA,"CC1=CC2=C(C=C1)N=C(C=C2C(=O)NC(C)CN(C)C)C3=NC=CN3C","UFEFOKVSSLYKCY-UHFFFAOYSA-N",387305,NA,"PDBC42895","680998","Present",NA,NA
+"42896","N-[1-Di(propan-2-yloxy)phosphoryl-2-methylpropyl]-N-methyl-N'-(trifluoromethyl)carbamimidoyl fluoride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-Di(propan-2-yloxy)phosphoryl-2-methylpropyl]-N-methyl-N'-(trifluoromethyl)carbamimidoyl fluoride",NA,"CC(C)C(N(C)C(=NC(F)(F)F)F)P(=O)(OC(C)C)OC(C)C","JSCWFWFDRLWMFR-LDADJPATSA-N",9556221,NA,"PDBC42896","676749","Present",NA,NA
+"42897","N-[1-Methyl-3-[[[1-(chloromethyl)-5-amino-1,2-dihydro-3H-benzo[e]indole]-3-yl]carbonyl]-1H-pyrazole-5-yl]-1-methyl-5-(acetylamino)-1H-pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetamido-N-[5-[5-amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-2-methylpyrazol-3-yl]-1-methylpyrazole-3-carboxamide",NA,"CC(=O)NC1=CC(=NN1C)C(=O)NC2=CC(=NN2C)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl","YVRXHFKLQALHEJ-UHFFFAOYSA-N",393071,NA,"PDBC42897","694456","Present",NA,NA
+"42898","N-[1-[(1S,3S,3Ar,6S,9aS,9bS)-6a-cyano-3,6-dimethyl-9-methylidene-2,3,3a,4,5,6,7,8,9a,9b-decahydro-1H-phenalen-1-yl]-2-methylpropan-2-yl]-2-(2-oxoazetidin-1-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-[(1S,3S,3Ar,6S,9aS,9bS)-6a-cyano-3,6-dimethyl-9-methylidene-2,3,3a,4,5,6,7,8,9a,9b-decahydro-1H-phenalen-1-yl]-2-methylpropan-2-yl]-2-(2-oxoazetidin-1-yl)acetamide",NA,"CC1CCC2C(CC(C3C2C1(CCC3=C)C#N)CC(C)(C)NC(=O)CN4CCC4=O)C","JOEBJSJEYONTJT-UDYRNDLXSA-N",54612874,NA,"PDBC42898","750224","Present",NA,NA
+"42899","N-[1-[2-(Methanesulfonamido)-1-naphthyl]-2-naphthyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-[2-(Methanesulfonamido)-1-naphthyl]-2-naphthyl]methanesulfonamide",NA,"CS(=O)(=O)NC1=C(C2=CC=CC=C2C=C1)C3=C(C=CC4=CC=CC=C43)NS(=O)(=O)C","YOKOWCMGIZHOOH-UHFFFAOYSA-N",395339,NA,"PDBC42899","699821","Present",NA,NA
+"42900","N-[1-[3,4-Bis(phenylmethoxy)-5-prop-2-enylphenyl]-2-phenylethyl]propan-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-[3,4-Bis(phenylmethoxy)-5-prop-2-enylphenyl]-2-phenylethyl]propan-2-amine",NA,"CC(C)NC(CC1=CC=CC=C1)C2=CC(=C(C(=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)CC=C","JWNPXNFTECCZRN-UHFFFAOYSA-N",381714,NA,"PDBC42900","668574","Present",NA,NA
+"42901","N-[1-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-(4-benzoylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-(4-benzoylphenyl)acetamide",NA,"CSCCC(C(=O)N1CCN(CC1)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)NC(=O)CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6","BSQFXUZPQUWGGO-UHFFFAOYSA-N",386759,NA,"PDBC42901","679438","Present",NA,NA
+"42902","N-[1-[5-(Hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-(5-(Hydroxymethyl)tetrahydro-2-furanyl)-2-oxo-1,2-dihydro-4-pyrimidinyl)benzamide",NA,"C1CC(OC1CO)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3","YGZQYMMFALYKCO-UHFFFAOYSA-N",357106,NA,"PDBC42902","614939","Present",NA,NA
+"42903","N-[1-[[1-[(1,6-Diamino-1-oxohexan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-[[3-methyl-2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]butanoyl]amino]acetyl]amino]butanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-[[1-[(1,6-Diamino-1-oxohexan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-[[3-methyl-2-[[3-methyl-2-(pyrrolidine-2-carbonylamino)pentanoyl]amino]butanoyl]amino]ac",NA,"CCC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)N)NC(=O)C1CCCN1","POVDHFNXSAMENB-UHFFFAOYSA-N",398172,NA,"PDBC42903","707764","Present",NA,NA
+"42904","N-[1-[[1-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-[[2-[[2-[[1-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]butanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-[[1-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[2-[[2-[[2-[[1-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-4-m",NA,"CCC(C)C(C(=O)NC(C(C)C)C(=O)NCC(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)N","RYVZIURKWWTGGO-UHFFFAOYSA-N",398174,NA,"PDBC42904","707766","Present",NA,NA
+"42905","N-[1-[[2-[[1-[[1-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]pyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1-[[2-[[1-[[1-[(1-Amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]-1-[2-[(2-amino-3-phenylpropan",NA,"CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CC(C)C)C(=O)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC2=CC=CC=C2)N","OXCIAAVXNZLRRL-UHFFFAOYSA-N",398171,NA,"PDBC42905","707763","Present",NA,NA
+"42906","N-[1-{1-[2-Carbamoyl-1-(3-naphthalen-1-yl-propylcarbamoyl)-ethylcarbamoyl]-cyclohexylcarbamoyl}-2-(4-phosphonomethyl-phenyl)-ethyl]-oxalamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[(2S)-1-[[1-[[(2S)-4-Amino-1-(3-naphthalen-1-ylpropylamino)-1,4-dioxobutan-2-yl]carbamoyl]cyclohexyl]amino]-1-oxo-3-[4-(phosphonomethyl)phenyl]propan-2-yl]amino]-2-oxoacetic acid",NA,"C1CCC(CC1)(C(=O)NC(CC(=O)N)C(=O)NCCCC2=CC=CC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)CP(=O)(O)O)NC(=O)C(=O)O","LBUZYNYSEBMSDQ-VMPREFPWSA-N",398462,NA,"PDBC42906","708238","Present",NA,NA
+"42907","N-[12-(Naphthalene-1-carbonylamino)dodecyl]naphthalene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[12-(Naphthalene-1-carbonylamino)dodecyl]naphthalene-1-carboxamide",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCCCCCCCNC(=O)C3=CC=CC4=CC=CC=C43","NLPMTOQOCINRLW-UHFFFAOYSA-N",364098,NA,"PDBC42907","629739","Present",NA,NA
+"42908","N-[12-(Quinoxaline-2-carbonylamino)dodecyl]quinoxaline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[12-(Quinoxaline-2-carbonylamino)dodecyl]quinoxaline-2-carboxamide",NA,"C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCCCCCCCCCCCCNC(=O)C3=NC4=CC=CC=C4N=C3","IKEVYAJEWGPHAY-UHFFFAOYSA-N",364903,NA,"PDBC42908","631731","Present",NA,NA
+"42909","N-[17-(Benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-6-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[17-(Benzenesulfonyl)-7,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaen-6-yl]acetamide",NA,"CC(=O)NC1=NC2=NC3=C(C=C2C=C1)N(C4=C3C=CC=N4)S(=O)(=O)C5=CC=CC=C5","LKFOTCDUWPISCJ-UHFFFAOYSA-N",387557,NA,"PDBC42909","681480","Present",NA,NA
+"42910","N-[2'-(13'H-Dibenzo[a,4-dicarboximide hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2'-(13'H-Dibenzo[a,g]-fluorenyl)]-4-(4'N-methyl-piper...",NA,"CN1CCN(CC1)C(=O)CCC(=O)NC2=CC3=C(C4=C(C3)C5=CC=CC=C5C=C4)C6=CC=CC=C62.Cl","DIMUALIBIUKIQI-UHFFFAOYSA-N",404334,NA,"PDBC42910","720532","Present",NA,NA
+"42911","N-[2'-13H-Dibenzo[a,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2'-13H-Dibenzo[a,g]-fluorenyl]-4-(l'-piperidinyl)-but...",NA,"C1CCN(CC1)CCCCNC2=CC=CC3=C2C=CC4=C3C5=C(C4)C6=CC=CC=C6C=C5","CTZBNOXRJCJOHE-UHFFFAOYSA-N",24203670,NA,"PDBC42911","729110","Present",NA,NA
+"42912","N-[2,2,2-Trichloro-1-[(3-oxo-1,4-benzoxazin-4-yl)oxy]ethyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2,2,2-Trichloro-1-[(3-oxo-1,4-benzoxazin-4-yl)oxy]ethyl]acetamide",NA,"CC(=O)NC(C(Cl)(Cl)Cl)ON1C(=O)COC2=CC=CC=C21","ABRCGZKQANLGTM-UHFFFAOYSA-N",367948,NA,"PDBC42912","638152","Present",NA,NA
+"42913","N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[6-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,6-dioxohexyl]-1H-benzo[e]indole-7-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 7-[[6-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-6-oxohexanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate",NA,"CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O","DEQTWOWKTWQYEE-UHFFFAOYSA-N",400181,NA,"PDBC42913","711694","Present",NA,NA
+"42914","N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[7-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,7-dioxoheptyl]-1H-benzo[e]indole-7-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 7-[[7-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-7-oxoheptanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate",NA,"CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O","HFBVJCULYWSBPU-UHFFFAOYSA-N",400182,NA,"PDBC42914","711695","Present",NA,NA
+"42915","N-[2,3-Dihydro-1-(chloromethyl)-5-hydroxy-3-[8-[[2,3-dihydro-1-(chloromethyl)-5-hydroxy-3-(tert-butoxycarbonyl)-1H-benzo[e]indole-7-yl]amino]-1,8-dioxooctyl]-1H-benzo[e]indole-7-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 7-[[8-[7-acetamido-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-8-oxooctanoyl]amino]-1-(chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indole-3-carboxylate",NA,"CC(=O)NC1=CC2=C(C=C3C(=C2C=C1)C(CN3C(=O)CCCCCCC(=O)NC4=CC5=C(C=C6C(=C5C=C4)C(CN6C(=O)OC(C)(C)C)CCl)O)CCl)O","OIJQNOUPXVOYPM-UHFFFAOYSA-N",400183,NA,"PDBC42915","711696","Present",NA,NA
+"42916","N-[2,3-Dimethoxy-5-(propylcarbamoyl)phenyl]-3,4-dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2,3-Dimethoxy-5-(propylcarbamoyl)phenyl]-3,4-dimethoxy-5-[[(E)-3-phenylprop-2-enoyl]amino]benzamide",NA,"CCCNC(=O)C1=CC(=C(C(=C1)OC)OC)NC(=O)C2=CC(=C(C(=C2)OC)OC)NC(=O)C=CC3=CC=CC=C3","KCCMSQCLVJCVDU-OUKQBFOZSA-N",5472391,NA,"PDBC42916","718306","Present",NA,NA
+"42917","N-[2,5-Bis[(dimethylamino)methyl]cyclopentylidene]hydroxylamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640392",NA,"CN(C)CC1CCC(C1=NO)CN(C)C.Cl","IVHBJNGJWYCCPA-UHFFFAOYSA-N",368965,NA,"PDBC42917","640392","Present",NA,NA
+"42918","N-[2,5-Dimethoxy-4-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]sulfamoyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2,5-Dimethoxy-4-[[(E)-[(E)-3-phenylprop-2-enylidene]amino]sulfamoyl]phenyl]acetamide",NA,"CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)NN=CC=CC2=CC=CC=C2)OC","ZXILGYZDVQAFMR-OZNFINNBSA-N",9572438,NA,"PDBC42918","716178","Present",NA,NA
+"42919","N-[2,6-Bis(1-methylethyl)phenyl]-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2,4-dioxo-6-phenylhexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2,6-Bis(1-methylethyl)phenyl]-6-(4-hydroxy-2-oxo-2H-chromen-3-yl)-2,4-dioxo-6-phenylhexanamide",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=O)CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","DJDZPJCHQJIERW-UHFFFAOYSA-N",54677090,NA,"PDBC42919","647086","Present",NA,NA
+"42920","N-[2,6-Di(propan-2-yl)phenyl]-2,4-dioxo-4-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2,6-Di(propan-2-yl)phenyl]-2,4-dioxo-4-(3,6,7-trimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)butanamide",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=O)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C","NOENCWFNUILGAM-UHFFFAOYSA-N",364330,NA,"PDBC42920","630345","Present",NA,NA
+"42921","N-[2,6-Dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"~{N}-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethyl-benzoyl)ph...",NA,"CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)NC(=O)C)OC","XJYLHXHKUVWDGK-UHFFFAOYSA-N",155805829,NA,"PDBC42921","797555","Present",NA,NA
+"42922","N-[2,8-Naphthalimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2,4-Dinitro-1-anilino]-3-nitro-1,8-naphthalimide",NA,"C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","SUXVUHFSCDKTPS-UHFFFAOYSA-N",386722,NA,"PDBC42922","679265","Present",NA,NA
+"42923","N-[2-(1H-Imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-11,12,13,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaen-16-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(1H-Imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-11,12,13,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6,12,14-hexaen-16-yl)butanamide",NA,"C1=CC=C(C=C1)C2=C3N(C4=C(C(=O)N3N=N2)SC5=CC=CC=C54)CCCC(=O)NCCC6=CN=CN6","HTOXOOTVEVUPLA-UHFFFAOYSA-N",45029440,NA,"PDBC42923","746807","Present",NA,NA
+"42924","N-[2-(1H-Imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-16-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(1H-Imidazol-5-yl)ethyl]-4-(10-oxo-14-phenyl-8-thia-6,11,12,13,16-pentazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),3,5,12,14-hexaen-16-yl)butanamide",NA,"C1=CC=C(C=C1)C2=C3N(C4=C(C(=O)N3N=N2)SC5=C4C=CC=N5)CCCC(=O)NCCC6=CN=CN6","MAQOACLTLXOGNA-UHFFFAOYSA-N",60148353,NA,"PDBC42924","754175","Present",NA,NA
+"42925","N-[2-(1H-Imidazol-5-yl)ethyl]-4-(8-oxo-5-phenyl-10-thia-2,3,4,7-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11,13,15-hexaen-7-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(1H-Imidazol-5-yl)ethyl]-4-(8-oxo-5-phenyl-10-thia-2,3,4,7-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),3,5,11,13,15-hexaen-7-yl)butanamide",NA,"C1=CC=C(C=C1)C2=C3N(C(=O)C4=C(N3N=N2)C5=CC=CC=C5S4)CCCC(=O)NCCC6=CN=CN6","HNIQIFJOXBLFKR-UHFFFAOYSA-N",45029442,NA,"PDBC42925","746809","Present",NA,NA
+"42926","N-[2-(1H-Indol-3-yl)ethyl]-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(1H-Indol-3-yl)ethyl]-4-[[[(E)-2-methyl-3-phenylprop-2-enoyl]amino]methyl]benzamide",NA,"CC(=CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)C(=O)NCCC3=CNC4=CC=CC=C43","OMTAJWKVMRUJTG-LVZFUZTISA-N",5470474,NA,"PDBC42926","702120","Present",NA,NA
+"42927","N-[2-(1H-Indol-3-yl)ethyl]-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(1H-Indol-3-yl)ethyl]-4-[[[(E)-3-(4-phenylphenyl)prop-2-enoyl]amino]methyl]benzamide",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54","HPZVDVCNPNHIHM-XMHGGMMESA-N",5470491,NA,"PDBC42927","702137","Present",NA,NA
+"42928","N-[2-(1H-Indole-3-yl)ethyl]-4-[[[3-[4-(benzyloxy)phenyl]acryloyl]amino]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(1H-Indole-3-yl)ethyl]-4-[[[3-[4-(benzyloxy)phenyl]acryloyl]amino]methyl]benzamide",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)C=CC(=O)NCC3=CC=C(C=C3)C(=O)NCCC4=CNC5=CC=CC=C54","ZSYCJKUTPWYRGG-XMHGGMMESA-N",5470479,NA,"PDBC42928","702125","Present",NA,NA
+"42929","N-[2-(2,3-Dihydro-1H-indol-3-yl)ethyl]-1,1-diphenylmethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2,3-Dihydro-1H-indol-3-yl)ethyl]-1,1-diphenylmethanimine",NA,"C1C(C2=CC=CC=C2N1)CCN=C(C3=CC=CC=C3)C4=CC=CC=C4","KKCNSEKJQSXFBR-UHFFFAOYSA-N",394101,NA,"PDBC42929","697238","Present",NA,NA
+"42930","N-[2-(2,4-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2,4-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"CC1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C(C3=CC=CC=C3)O","XHLJCLCTQMVOCX-UHFFFAOYSA-N",24205434,NA,"PDBC42930","735528","Present",NA,NA
+"42931","N-[2-(2,4-Dimethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl)phenyl]-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2,4-Dimethyl-5-oxo-3-sulfanylidene-1,2,4-triazin-6-yl)phenyl]-2,2,2-trifluoroacetamide",NA,"CN1C(=O)C(=NN(C1=S)C)C2=CC=CC=C2NC(=O)C(F)(F)F","AWDXZEUFEXZYTQ-UHFFFAOYSA-N",360750,NA,"PDBC42931","623089","Present",NA,NA
+"42932","N-[2-(2,5-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2,5-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"COC1=CC(=C(C=C1)OC)C2N(C(=O)CS2)NC(=O)C(C3=CC=CC=C3)O","CRRJVMATWNWHII-UHFFFAOYSA-N",24205431,NA,"PDBC42932","735525","Present",NA,NA
+"42933","N-[2-(2,6-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2,6-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)NC(=O)C(C3=CC=CC=C3)O","PVNZXBCOVLUARR-UHFFFAOYSA-N",24205430,NA,"PDBC42933","735524","Present",NA,NA
+"42934","N-[2-(2,6-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2,6-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"CC1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)NC(=O)C(C3=CC=CC=C3)O","BINCBCDOTCQHHB-UHFFFAOYSA-N",24205503,NA,"PDBC42934","736057","Present",NA,NA
+"42935","N-[2-(2,6-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2,6-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide",NA,"CC1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)NC(=O)C3=C(C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5","ZVLPUMJTGAXOLR-UHFFFAOYSA-N",60147755,NA,"PDBC42935","752361","Present",NA,NA
+"42936","N-[2-(2-Acetyl-6-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Acetyl-6-methoxy-1H-indol-3-yl)ethyl]benzenesulfonamide",NA,"CC(=O)C1=C(C2=C(N1)C=C(C=C2)OC)CCNS(=O)(=O)C3=CC=CC=C3","PLFZBJVALXJHEG-UHFFFAOYSA-N",396767,NA,"PDBC42936","703546","Present",NA,NA
+"42937","N-[2-(2-Acetyl-6-methoxy-7-nitro-1H-indol-3-yl)ethyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Acetyl-6-methoxy-7-nitro-1H-indol-3-yl)ethyl]benzenesulfonamide",NA,"CC(=O)C1=C(C2=C(N1)C(=C(C=C2)OC)[N+](=O)[O-])CCNS(=O)(=O)C3=CC=CC=C3","XOPILLUOEYVAQW-UHFFFAOYSA-N",363627,NA,"PDBC42937","628656","Present",NA,NA
+"42938","N-[2-(2-Aminoethylcarbamoyl)phenyl]-3,5-ditert-butylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((2-aminoethyl)carbamoyl)phenyl)-3,5-di-tert-butylb...",NA,"CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)NCCN)C(C)(C)C","DXPZNYLWMZPESQ-UHFFFAOYSA-N",134132690,NA,"PDBC42938","783188","Present",NA,NA
+"42939","N-[2-(2-Chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"CC1C(=O)N(C(S1)C2=CC=CC=C2Cl)NC(=O)C(C3=CC=CC=C3)O","JEIJVSJUJFPISM-UHFFFAOYSA-N",24205498,NA,"PDBC42939","736052","Present",NA,NA
+"42940","N-[2-(2-Hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide",NA,"C1=CC=C2C(=C1)C=C3N(C2=O)C4=C(O3)C=CC(=C4)C(=O)NCCNCCO","TWLTWIQZWZTITM-UHFFFAOYSA-N",24203804,NA,"PDBC42940","729609","Present",NA,NA
+"42941","N-[2-(2-Hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Hydroxyethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide",NA,"C1=CC=C2C(=C1)C=C3N(C2=O)C4=C(O3)C=C(C=C4)C(=O)NCCNCCO","YOXPEXDWXAKPDW-UHFFFAOYSA-N",24203801,NA,"PDBC42941","729606","Present",NA,NA
+"42942","N-[2-(2-Hydroxyethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Hydroxyethylamino)ethyl]-2-phenylquinoline-8-carboxamide;hydrochloride",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC=C3C(=O)NCCNCCO)C=C2.Cl","YXCRIXMUUUTSDJ-UHFFFAOYSA-N",358093,NA,"PDBC42942","617940","Present",NA,NA
+"42943","N-[2-(2-Hydroxyethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Hydroxyethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide",NA,"COC1=CC=CC2=C1N=C(C=C2NC3=CC=C(C=C3)C(=O)NCCNCCO)C4=CC=CC=C4","UAGXHPABIXCVMP-UHFFFAOYSA-N",24205374,NA,"PDBC42943","735325","Present",NA,NA
+"42944","N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]-2-nitro-1H-imidazole-1-hexanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Methyl-5-nitroimidazol-1-yl)ethyl]-6-(2-nitroimidazol-1-yl)hexanamide",NA,"CC1=NC=C(N1CCNC(=O)CCCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","WRXSMKZZMUUQDT-UHFFFAOYSA-N",369982,NA,"PDBC42944","642500","Present",NA,NA
+"42945","N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]-2-nitro-1H-imidazole-1-pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5-(2-nitro-1H-imidazol-1-yl)pentanamide",NA,"CC1=NC=C(N1CCNC(=O)CCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","QRJAWFYCJLNBRT-UHFFFAOYSA-N",369983,NA,"PDBC42945","642501","Present",NA,NA
+"42946","N-[2-(2-Methyl-5-nitroimidazol-1H-yl)ethyl]-N-[4-(2-nitroimidazol-1H-yl)butylamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-N- [4-(2-nit...",NA,"CC1=NC=C(N1CCNCCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-].Cl","RRRGNMOCYXWBBV-UHFFFAOYSA-N",378468,NA,"PDBC42946","661070","Present",NA,NA
+"42947","N-[2-(2-Nitro-1H-imidazol-1-yl)ethyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(2-Nitro-1H-imidazol-1-yl)ethyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide",NA,"C1=CN(C(=N1)[N+](=O)[O-])CCNC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]","RZKBUFKYBPMEOX-UHFFFAOYSA-N",372715,NA,"PDBC42947","648275","Present",NA,NA
+"42948","N-[2-(3,4-Dichlorophenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dichlorophenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,"C1C(=O)N(C(S1(=O)=O)C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3","MTQYVTJOHZRLPY-UHFFFAOYSA-N",361553,NA,"PDBC42948","624734","Present",NA,NA
+"42949","N-[2-(3,4-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,"C1C(=O)N(C(S1)C2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3","KGOBGORXEZGSQW-UHFFFAOYSA-N",361549,NA,"PDBC42949","624730","Present",NA,NA
+"42950","N-[2-(3,4-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dichlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"CC1C(=O)N(C(S1)C2=CC(=C(C=C2)Cl)Cl)NC(=O)C(C3=CC=CC=C3)O","JWOJCQDWXFWIFL-UHFFFAOYSA-N",24205435,NA,"PDBC42950","735529","Present",NA,NA
+"42951","N-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dichlorophenyl)ethyl]-N,N'-dimethyl-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine;hydrobromide",NA,"CN(CCC1=CC(=C(C=C1)Cl)Cl)CCN(C)CCN2CCCC2.Br","GZOZYVORHNTUAR-UHFFFAOYSA-N",398585,NA,"PDBC42951","708550","Present",NA,NA
+"42952","N-[2-(3,4-Dihydroxy-phenyl)-ethyl]-2-phenyl-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dihydroxy-phenyl)-ethyl]-2-phenyl-acetamide",NA,"C1=CC=C(C=C1)CC(=O)NCCC2=CC(=C(C=C2)O)O","GGGICHWZMLXHLJ-UHFFFAOYSA-N",383147,NA,"PDBC42952","671188","Present",NA,NA
+"42953","N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-phenylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dihydroxyphenyl)ethyl]-3-phenylpropanamide",NA,"C1=CC=C(C=C1)CCC(=O)NCCC2=CC(=C(C=C2)O)O","AQTKQQPTLASVMQ-UHFFFAOYSA-N",383148,NA,"PDBC42953","671189","Present",NA,NA
+"42954","N-[2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"COC1=C(C=C(C=C1)C2N(C(=O)CS2)NC(=O)C(C3=CC=CC=C3)O)OC","LSEJKZMVJAKZTF-UHFFFAOYSA-N",24205504,NA,"PDBC42954","736058","Present",NA,NA
+"42955","N-[2-(3,4-Dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dimethoxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"CC1C(=O)N(C(S1)C2=CC(=C(C=C2)OC)OC)NC(=O)C(C3=CC=CC=C3)O","GSCCOXDKJGQNGP-UHFFFAOYSA-N",24205502,NA,"PDBC42955","736056","Present",NA,NA
+"42956","N-[2-(3,4-Dimethoxyphenyl)ethyl]-11H-indolo[3,2-c]quinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dimethoxyphenyl)ethyl]-11H-indolo[3,2-c]quinolin-6-amine",NA,"COC1=C(C=C(C=C1)CCNC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4)OC","QPLKYWUHABWZHD-UHFFFAOYSA-N",24205775,NA,"PDBC42956","736610","Present",NA,NA
+"42957","N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[2-(2-hydroxyethyl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[2-(2-hydroxyethyl)phenyl]acetamide",NA,"COC1=C(C=C(C=C1)CCNC(=O)CC2=CC=CC=C2CCO)OC","IWCGFEIBRZDSGB-UHFFFAOYSA-N",390006,NA,"PDBC42957","686929","Present",NA,NA
+"42958","N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[2-(hydroxymethyl)phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dimethoxyphenyl)ethyl]-3-[2-(hydroxymethyl)phenyl]propanamide",NA,"COC1=C(C=C(C=C1)CCNC(=O)CCC2=CC=CC=C2CO)OC","LRQXTYHYVUYFHP-UHFFFAOYSA-N",390004,NA,"PDBC42958","686927","Present",NA,NA
+"42959","N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-[2-(3,4-dimethoxyphenyl)ethylimino]pyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-[2-(3,4-dimethoxyphenyl)ethylimino]pyrrolidine-2-carboxamide",NA,"COC1=C(C=C(C=C1)CCNC(=O)C2CCC(=NCCC3=CC(=C(C=C3)OC)OC)N2)OC","QPPBYFSCNRAUAR-UHFFFAOYSA-N",135503470,NA,"PDBC42959","636831","Present",NA,NA
+"42960","N-[2-(3,5-Dioxo-1,2,4-triazin-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3,5-Dioxo-1,2,4-triazin-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",NA,"CC(=O)NC1C(C(C(OC1N2C(=O)NC(=O)C=N2)CO)O)O","CDXWGODPHKIAQE-UHFFFAOYSA-N",388570,NA,"PDBC42960","683581","Present",NA,NA
+"42961","N-[2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"C1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)NC(=O)C(C3=CC=CC=C3)O","ITYDRUMOLMRJIK-UHFFFAOYSA-N",24205429,NA,"PDBC42961","735523","Present",NA,NA
+"42962","N-[2-(3-Chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3-Chlorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"CC1C(=O)N(C(S1)C2=CC(=CC=C2)Cl)NC(=O)C(C3=CC=CC=C3)O","WWGFKIOHEPPWPI-UHFFFAOYSA-N",24205433,NA,"PDBC42962","735527","Present",NA,NA
+"42963","N-[2-(3-Fluoro-4-methoxyphenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3-Fluoro-4-methoxyphenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,"COC1=C(C=C(C=C1)C2N(C(=O)CS2(=O)=O)NC(=O)C3=CC=NC=C3)F","TUSBLEDSMUAGJR-UHFFFAOYSA-N",361556,NA,"PDBC42963","624737","Present",NA,NA
+"42964","N-[2-(3-Fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3-Fluoro-4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,"COC1=C(C=C(C=C1)C2N(C(=O)CS2)NC(=O)C3=CC=NC=C3)F","SFAZIUVQLCLFEE-UHFFFAOYSA-N",361552,NA,"PDBC42964","624733","Present",NA,NA
+"42965","N-[2-(3-Fluorophenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3-Fluorophenyl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,"C1C(=O)N(C(S1(=O)=O)C2=CC(=CC=C2)F)NC(=O)C3=CC=NC=C3","BVTDBDGOQWNDBA-UHFFFAOYSA-N",361554,NA,"PDBC42965","624735","Present",NA,NA
+"42966","N-[2-(3-Fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3-Fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,"C1C(=O)N(C(S1)C2=CC(=CC=C2)F)NC(=O)C3=CC=NC=C3","CBBPXKOLYJNDME-UHFFFAOYSA-N",361550,NA,"PDBC42966","624731","Present",NA,NA
+"42967","N-[2-(3-Methylquinoxalin-2-yl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3-Methylquinoxalin-2-yl)phenyl]acetamide",NA,"CC1=NC2=CC=CC=C2N=C1C3=CC=CC=C3NC(=O)C","VGYLVFVRZJQRIO-UHFFFAOYSA-N",360052,NA,"PDBC42967","621850","Present",NA,NA
+"42968","N-[2-(3-Phenylquinoxalin-2-yl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(3-Phenylquinoxalin-2-yl)phenyl]acetamide",NA,"CC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3N=C2C4=CC=CC=C4","AQMMQQFJLXDLLR-UHFFFAOYSA-N",360053,NA,"PDBC42968","621851","Present",NA,NA
+"42969","N-[2-(4,6-Diamino-1,3,5-triazin-2-yl)phenyl]-4-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonamide, N-[2-(4,6-diamino-1,3,5-triazin-2-yl...",NA,"C1=CC=C(C(=C1)C2=NC(=NC(=N2)N)N)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]","PPXBIGZLUXRESK-UHFFFAOYSA-N",320647,NA,"PDBC42969","268907","Present",NA,NA
+"42970","N-[2-(4-Amino-1-benzoylpiperidin-4-yl)ethyl]benzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Amino-1-benzoylpiperidin-4-yl)ethyl]benzamide;hydrochloride",NA,"C1CN(CCC1(CCNC(=O)C2=CC=CC=C2)N)C(=O)C3=CC=CC=C3.Cl","LFUZSJNPOKNCHI-UHFFFAOYSA-N",387114,NA,"PDBC42970","680509","Present",NA,NA
+"42971","N-[2-(4-Benzyloxyphenyl)-5-methyl-4-oxo-1,2-diphenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-benzyloxyphenyl)-5-methyl-4-oxo-1,3-thiazolidin-...",NA,"CC1C(=O)N(C(S1)C2=CC=C(C=C2)OCC3=CC=CC=C3)NC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O","ICAMLSIMIJRSTJ-UHFFFAOYSA-N",44537872,NA,"PDBC42971","742821","Present",NA,NA
+"42972","N-[2-(4-Chlorophenoxy)-2-methylpropanoyl]-N,4-diphenylpiperazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Chlorophenoxy)-2-methylpropanoyl]-N,4-diphenylpiperazine-1-carboxamide",NA,"CC(C)(C(=O)N(C1=CC=CC=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3)OC4=CC=C(C=C4)Cl","MWWOKXDSGYQQLZ-UHFFFAOYSA-N",401351,NA,"PDBC42972","714663","Present",NA,NA
+"42973","N-[2-(4-Chlorophenyl)-1-diethoxyphosphorylethyl]-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Chlorophenyl)-1-diethoxyphosphorylethyl]-4-methylbenzenesulfonamide",NA,"CCOP(=O)(C(CC1=CC=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)C)OCC","GJASHCSKGPMDQN-UHFFFAOYSA-N",397483,NA,"PDBC42973","705531","Present",NA,NA
+"42974","N-[2-(4-Chlorophenyl)-4-oxo-1,2-a]pyridin-3-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-N'-(2-...",NA,"CC1=C(N2C=CC=CC2=N1)NC(=O)NN3C(SCC3=O)C4=CC=C(C=C4)Cl","MDFHVYCNWPNOPI-UHFFFAOYSA-N",24205494,NA,"PDBC42974","736048","Present",NA,NA
+"42975","N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2,4-dichlorophenoxy)propanamide",NA,"CC(C(=O)NN1C(SCC1=O)C2=CC=C(C=C2)Cl)OC3=C(C=C(C=C3)Cl)Cl","HZCQMBRMJMLBOO-UHFFFAOYSA-N",397262,NA,"PDBC42975","704790","Present",NA,NA
+"42976","N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)propanamide",NA,"CC1=CC=CC=C1OC(C)C(=O)NN2C(SCC2=O)C3=CC=C(C=C3)Cl","HGPVDLJIOFSPSP-UHFFFAOYSA-N",397265,NA,"PDBC42976","704793","Present",NA,NA
+"42977","N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-5-fluoro-3-phenyl-1H-indole-2-carboxamide",NA,"C1C(=O)N(C(S1)C2=CC=C(C=C2)Cl)NC(=O)C3=C(C4=C(N3)C=CC(=C4)F)C5=CC=CC=C5","PZOIITMEEVXZSU-UHFFFAOYSA-N",45029379,NA,"PDBC42977","746588","Present",NA,NA
+"42978","N-[2-(4-Fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"C1C(=O)N(C(S1)C2=CC=C(C=C2)F)NC(=O)C(C3=CC=CC=C3)O","QFVUPBNMXQOHFT-UHFFFAOYSA-N",24205496,NA,"PDBC42978","736050","Present",NA,NA
+"42979","N-[2-(4-Fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Fluorophenyl)-5-methyl-4-oxo-1,3-thiazolidin-3-yl]-2-hydroxy-2-phenylacetamide",NA,"CC1C(=O)N(C(S1)C2=CC=C(C=C2)F)NC(=O)C(C3=CC=CC=C3)O","YZHBAQRAWIXGAQ-UHFFFAOYSA-N",24205499,NA,"PDBC42979","736053","Present",NA,NA
+"42980","N-[2-(4-Methoxyphenyl)-4-oxo-1,2-a]pyridin-3-yl)urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-N'-(2...",NA,"CC1=C(N2C=CC=CC2=N1)NC(=O)NN3C(SCC3=O)C4=CC=C(C=C4)OC","CSWCCLZIOBHOJN-UHFFFAOYSA-N",24205495,NA,"PDBC42980","736049","Present",NA,NA
+"42981","N-[2-(4-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]-2-(2-methylphenoxy)propanamide",NA,"CC1=CC=CC=C1OC(C)C(=O)NN2C(SCC2=O)C3=CC=C(C=C3)OC","HUCRQKDYSDEQSW-UHFFFAOYSA-N",397264,NA,"PDBC42981","704792","Present",NA,NA
+"42982","N-[2-(4-Methylmorpholin-4-ium-4-yl)ethyl]-2-(2-octadecoxyphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"~{N}-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]-2-(2-octade...",NA,"CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(=O)NCC[N+]2(CCOCC2)C","JCNZLEGQKBSCPN-UHFFFAOYSA-O",155813999,NA,"PDBC42982","802623","Present",NA,NA
+"42983","N-[2-(4-Nitrophenoxy)ethyl]naphthalen-1-amine;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-Nitrophenoxy)ethyl]naphthalen-1-amine;hydrobromide",NA,"C1=CC=C2C(=C1)C=CC=C2NCCOC3=CC=C(C=C3)[N+](=O)[O-].Br","RYCKIDUFNPPZAF-UHFFFAOYSA-N",368364,NA,"PDBC42983","639221","Present",NA,NA
+"42984","N-[2-(5-Chloro-1H-indol-3-yl)ethyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide",NA,"CC(=O)NCCC1=CNC2=C1C=C(C=C2)Cl","WJIFPSFOSMKSAB-UHFFFAOYSA-N",384240,NA,"PDBC42984","673655","Present",NA,NA
+"42985","N-[2-(5-Methoxy-1H-indol-2-yl)ethyl]-3,5-dinitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(5-Methoxy-1H-indol-2-yl)ethyl]-3,5-dinitrobenzamide",NA,"COC1=CC2=C(C=C1)NC(=C2)CCNC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","HVMXMKUOWKBJKD-UHFFFAOYSA-N",403861,NA,"PDBC42985","719394","Present",NA,NA
+"42986","N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]decanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(5-Methoxy-1H-indol-3-yl)ethyl]decanamide",NA,"CCCCCCCCCC(=O)NCCC1=CNC2=C1C=C(C=C2)OC","ZQDNPMICNHANPT-UHFFFAOYSA-N",395811,NA,"PDBC42986","700699","Present",NA,NA
+"42987","N-[2-(6-Aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(6-Aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NC2C(C(OC2N3C=NC4=C(N=CN=C43)N)CO)O","CBIKVSKUBAWMSA-UHFFFAOYSA-N",386217,NA,"PDBC42987","677933","Present",NA,NA
+"42988","N-[2-(6-Benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(6-Benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",NA,"CC(=O)NC1C(C(C(OC1N2C(=O)NC(=O)C(=N2)SCC3=CC=CC=C3)CO)O)O","HQQVTSYFQOLPBF-UHFFFAOYSA-N",388569,NA,"PDBC42988","683580","Present",NA,NA
+"42989","N-[2-(9-Acridinylamino)ethyl]-3,5-bis(acetoxymethyl)-4-(tert-butyldimethylsiloxy)benzenepropionamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Acetyloxymethyl)-5-[3-[2-(acridin-9-ylamino)ethylamino]-3-oxopropyl]-2-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl acetate",NA,"CC(=O)OCC1=CC(=CC(=C1O[Si](C)(C)C(C)(C)C)COC(=O)C)CCC(=O)NCCNC2=C3C=CC=CC3=NC4=CC=CC=C42","RCXIMFDNOLTJQC-UHFFFAOYSA-N",403765,NA,"PDBC42989","719209","Present",NA,NA
+"42990","N-[2-(Acridin-9-ylamino)ethyl]-3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Acridin-9-ylamino)ethyl]-3-[4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylphenyl]propanamide",NA,"CC1=CC(=CC(=C1O[Si](C)(C)C(C)(C)C)C)CCC(=O)NCCNC2=C3C=CC=CC3=NC4=CC=CC=C42","GMNIUCYLNVVSJS-UHFFFAOYSA-N",403766,NA,"PDBC42990","719210","Present",NA,NA
+"42991","N-[2-(Benzenesulfonyl)phenyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Benzenesulfonyl)phenyl]benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2NS(=O)(=O)C3=CC=CC=C3","JLXKFEGDJFIZRY-UHFFFAOYSA-N",399368,NA,"PDBC42991","710076","Present",NA,NA
+"42992","N-[2-(Cyclohexen-1-yl)ethyl]-1,1-dimethoxymethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Cyclohexen-1-yl)ethyl]-1,1-dimethoxymethanimine",NA,"COC(=NCCC1=CCCCC1)OC","BLXNEGOEKQVTBH-UHFFFAOYSA-N",394080,NA,"PDBC42992","697218","Present",NA,NA
+"42993","N-[2-(Diethylamine)-ethyl]-9-oxo-9H-fluorene-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(diethylamine)-ethyl]-9-oxo-9H-fluorene-4-carboxamide",NA,"CCN(CC)CCNC(=O)C1=CC=CC2=C1C3=CC=CC=C3C2=O","LOGTTYUJHKZIRV-UHFFFAOYSA-N",24203552,NA,"PDBC42993","728519","Present",NA,NA
+"42994","N-[2-(Diethylamino)ethyl]-4-iodobenzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665367",NA,"CCN(CC)CCNC(=O)C1=CC=C(C=C1)I.Cl","ZJWPWTPSIBMWEB-UHFFFAOYSA-N",380065,NA,"PDBC42994","665367","Present",NA,NA
+"42995","N-[2-(Diethylamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Diethylamino)ethyl]-5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carboxamide",NA,"CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)[N+](=O)[O-]","MUCCJOIIZBIVEE-UHFFFAOYSA-N",5110746,NA,"PDBC42995","699142","Present",NA,NA
+"42996","N-[2-(Diethylamino)ethyl]-5-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Diethylamino)ethyl]-5-[[5-[(5-nitro-1H-indole-2-carbonyl)amino]-1H-indole-2-carbonyl]amino]-1H-indole-2-carboxamide",NA,"CCN(CC)CCNC(=O)C1=CC2=C(N1)C=CC(=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=C(N5)C=CC(=C6)[N+](=O)[O-]","PRFQKPYVMNLKAM-UHFFFAOYSA-N",5184308,NA,"PDBC42996","699144","Present",NA,NA
+"42997","N-[2-(Diethylamino)ethyl]acridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Diethylamino)ethyl]acridine-4-carboxamide;hydrochloride",NA,"CCN(CC)CCNC(=O)C1=CC=CC2=CC3=CC=CC=C3N=C21.Cl","DMFKMJGMDHLUPO-UHFFFAOYSA-N",358140,NA,"PDBC42997","617970","Present",NA,NA
+"42998","N-[2-(Diethylamino)ethyl]phenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Diethylamino)ethyl]phenazine-1-carboxamide;hydrochloride",NA,"CCN(CC)CCNC(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21.Cl","WFCQPTXJTOUFTE-UHFFFAOYSA-N",358170,NA,"PDBC42998","617986","Present",NA,NA
+"42999","N-[2-(Dimethylamino)ethyl]-1,10-phenanthroline-2-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-1,10-phenanthroline-2-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=NC2=C(C=CC3=C2N=CC=C3)C=C1.Cl","ACIURJQGNHNEQM-UHFFFAOYSA-N",358121,NA,"PDBC42999","617955","Present",NA,NA
+"43000","N-[2-(Dimethylamino)ethyl]-1-[3-[3-[[15-[2-(dimethylamino)ethyl]-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9,11,13(17)-hexaen-10-yl]amino]propyl-methylamino]propylamino]-9-oxo-10H-acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, 9,10-dihydro-N-[2-(dimethylamino)...",NA,"CN(C)CCNC(=O)C1=C2C(=C(C=C1)NCCCN(C)CCCNC3=C4C5=C(C=C3)C(=O)N(C(=O)N5C6=CC=CC=C6C4=O)CCN(C)C)C(=O)C7=CC=CC=C7N2","FRXXLEVKKOPXAL-UHFFFAOYSA-N",399642,NA,"PDBC43000","710560","Present",NA,NA
+"43001","N-[2-(Dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]-9-oxo-10H-acridin-1-yl]amino]propyl-methylamino]propylamino]-9-oxo-10H-acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]-9-oxo-10H-acridin-1-yl]amino]propyl-methylamino]propylamino]-9-oxo-10H-acridine-4-carboxamide",NA,"CN(C)CCNC(=O)C1=C2C(=C(C=C1)NCCCN(C)CCCNC3=C4C(=C(C=C3)C(=O)NCCN(C)C)NC5=CC=CC=C5C4=O)C(=O)C6=CC=CC=C6N2","QXCHSGGVBVDZLT-UHFFFAOYSA-N",399637,NA,"PDBC43001","710554","Present",NA,NA
+"43002","N-[2-(Dimethylamino)ethyl]-1-methylacridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-1-methylacridine-4-carboxamide;hydrochloride",NA,"CC1=CC=C(C2=NC3=CC=CC=C3C=C12)C(=O)NCCN(C)C.Cl","ZFKVQXADBOJMPY-UHFFFAOYSA-N",358135,NA,"PDBC43002","617967","Present",NA,NA
+"43003","N-[2-(Dimethylamino)ethyl]-11-oxo-11H-indeno[1,2-b]quinoxaline-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-11-oxo-11H-indeno[1,2-b]quinoxaline-6-carboxamide",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C4=CC=CC=C4C3=O","QBFJJQWOTWRKPL-UHFFFAOYSA-N",377390,NA,"PDBC43003","658832","Present",NA,NA
+"43004","N-[2-(Dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide",NA,"CN(C)CCNC(=O)C1=CC2=C(C=C1)OC3=CC4=CC=CC=C4C(=O)N32","HBDQAHHTOVIUBS-UHFFFAOYSA-N",24203802,NA,"PDBC43004","729607","Present",NA,NA
+"43005","N-[2-(Dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide",NA,"CN(C)CCNC(=O)C1=CC2=C(C=C1)N3C(=CC4=CC=CC=C4C3=O)O2","FTAKZLTUYWFDOU-UHFFFAOYSA-N",24203799,NA,"PDBC43005","729604","Present",NA,NA
+"43006","N-[2-(Dimethylamino)ethyl]-11-oxoindeno[1,2-b]quinoxaline-8-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-11-oxoindeno[1,2-b]quinoxaline-8-carboxamide",NA,"CN(C)CCNC(=O)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C3=N2","SCEMFCFPZFBBNB-UHFFFAOYSA-N",377391,NA,"PDBC43006","658833","Present",NA,NA
+"43007","N-[2-(Dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide",NA,"CN(C)CCNC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=CC=CC=C4N3","GKWOMDIWAUKWNX-UHFFFAOYSA-N",44139298,NA,"PDBC43007","741236","Present",NA,NA
+"43008","N-[2-(Dimethylamino)ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide",NA,"CN1C=CN=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NCCN(C)C","YJPSXTLNMJINCR-UHFFFAOYSA-N",387303,NA,"PDBC43008","680996","Present",NA,NA
+"43009","N-[2-(Dimethylamino)ethyl]-2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-(2-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride",NA,"CC1=CC=CC=C1C2=NC3=C(C=CC=C3N2)C(=O)NCCN(C)C.Cl","WJHNVWKIBLCLPL-UHFFFAOYSA-N",358098,NA,"PDBC43009","617943","Present",NA,NA
+"43010","N-[2-(Dimethylamino)ethyl]-2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-(3-methoxyphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC(=CC=C3)OC.Cl","CJXNRDMCEPGJIL-UHFFFAOYSA-N",358102,NA,"PDBC43010","617945","Present",NA,NA
+"43011","N-[2-(Dimethylamino)ethyl]-2-(3-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-(3-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride",NA,"CC1=CC(=CC=C1)C2=NC3=C(C=CC=C3N2)C(=O)NCCN(C)C.Cl","FUODBEJWZGRBSW-UHFFFAOYSA-N",358096,NA,"PDBC43011","617942","Present",NA,NA
+"43012","N-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-8-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-8-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=C(C=C3)F.Cl","FEULGLSHUPTMFG-UHFFFAOYSA-N",358082,NA,"PDBC43012","617934","Present",NA,NA
+"43013","N-[2-(Dimethylamino)ethyl]-2-(4-hydroxyphenyl)quinoline-8-carboxamide;hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-(4-hydroxyphenyl)quinoline-8-carboxamide;hydrobromide",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=C(C=C3)O.Br","VMASGJLZHOYMOK-UHFFFAOYSA-N",358074,NA,"PDBC43013","617930","Present",NA,NA
+"43014","N-[2-(Dimethylamino)ethyl]-2-(4-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-(4-methylphenyl)-1H-benzimidazole-4-carboxamide;hydrochloride",NA,"CC1=CC=C(C=C1)C2=NC3=C(C=CC=C3N2)C(=O)NCCN(C)C.Cl","MZDDLXCOYLWHLZ-UHFFFAOYSA-N",358100,NA,"PDBC43014","617944","Present",NA,NA
+"43015","N-[2-(Dimethylamino)ethyl]-2-hydroxy-5-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-hydroxy-5-[(2-methoxyphenyl)methyl]-6,11-dioxobenzo[b]carbazole-1-carboxamide",NA,"CN(C)CCNC(=O)C1=C(C=CC2=C1C3=C(N2CC4=CC=CC=C4OC)C(=O)C5=CC=CC=C5C3=O)O","XEHSDXOSPQHXOZ-UHFFFAOYSA-N",404302,NA,"PDBC43015","720484","Present",NA,NA
+"43016","N-[2-(Dimethylamino)ethyl]-2-hydroxy-6,11-dioxo-5-(2-phenylethyl)benzo[b]carbazole-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-hydroxy-6,11-dioxo-5-(2-phenylethyl)benzo[b]carbazole-1-carboxamide",NA,"CN(C)CCNC(=O)C1=C(C=CC2=C1C3=C(N2CCC4=CC=CC=C4)C(=O)C5=CC=CC=C5C3=O)O","FGVQLZDPDNQNNR-UHFFFAOYSA-N",404304,NA,"PDBC43016","720486","Present",NA,NA
+"43017","N-[2-(Dimethylamino)ethyl]-2-methylacridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-methylacridine-4-carboxamide;hydrochloride",NA,"CC1=CC2=CC3=CC=CC=C3N=C2C(=C1)C(=O)NCCN(C)C.Cl","XPSPKYHIAJNWGG-UHFFFAOYSA-N",358126,NA,"PDBC43017","617961","Present",NA,NA
+"43018","N-[2-(Dimethylamino)ethyl]-2-phenyl-1,3-benzoxazole-7-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-phenyl-1,3-benzoxazole-7-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C(O2)C3=CC=CC=C3.Cl","BBVNACFVVZBLBT-UHFFFAOYSA-N",358110,NA,"PDBC43018","617949","Present",NA,NA
+"43019","N-[2-(Dimethylamino)ethyl]-2-phenyl-1H-benzimidazole-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-phenyl-1H-benzimidazole-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=CC=C3.Cl","YPBMKTWXDPANAJ-UHFFFAOYSA-N",358095,NA,"PDBC43019","617941","Present",NA,NA
+"43020","N-[2-(Dimethylamino)ethyl]-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-pyridin-2-yl-1H-benzimidazole-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CC=CC=N3.Cl","XBNPQVVOSBLUEG-UHFFFAOYSA-N",358106,NA,"PDBC43020","617947","Present",NA,NA
+"43021","N-[2-(Dimethylamino)ethyl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-pyridin-3-yl-1H-benzimidazole-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)NC(=N2)C3=CN=CC=C3.Cl","VAYBGQVJKGGWEH-UHFFFAOYSA-N",358104,NA,"PDBC43021","617946","Present",NA,NA
+"43022","N-[2-(Dimethylamino)ethyl]-2-pyridin-3-ylquinoline-8-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-pyridin-3-ylquinoline-8-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CN=CC=C3.Cl","LNVOYIZLAJXNFG-UHFFFAOYSA-N",358089,NA,"PDBC43022","617938","Present",NA,NA
+"43023","N-[2-(Dimethylamino)ethyl]-2-pyridin-4-ylquinoline-8-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-2-pyridin-4-ylquinoline-8-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C=C2)C3=CC=NC=C3.Cl","ZNQNMJMJYGLWGS-UHFFFAOYSA-N",358076,NA,"PDBC43023","617931","Present",NA,NA
+"43024","N-[2-(Dimethylamino)ethyl]-3-methylphenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-3-methylphenazine-1-carboxamide;hydrochloride",NA,"CC1=CC2=NC3=CC=CC=C3N=C2C(=C1)C(=O)NCCN(C)C.Cl","PMUSHYUMCSVBSY-UHFFFAOYSA-N",358162,NA,"PDBC43024","617982","Present",NA,NA
+"43025","N-[2-(Dimethylamino)ethyl]-4-(furo[3,2-c]quinolin-4-ylamino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-4-(furo[3,2-c]quinolin-4-ylamino)benzamide",NA,"CN(C)CCNC(=O)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","XUQUZUKINCJCRA-UHFFFAOYSA-N",24204686,NA,"PDBC43025","732490","Present",NA,NA
+"43026","N-[2-(Dimethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-4-[(8-methoxy-2-phenylquinolin-4-yl)amino]benzamide",NA,"CN(C)CCNC(=O)C1=CC=C(C=C1)NC2=CC(=NC3=C2C=CC=C3OC)C4=CC=CC=C4","AASMCSSSISYXOJ-UHFFFAOYSA-N",24205373,NA,"PDBC43026","735324","Present",NA,NA
+"43027","N-[2-(Dimethylamino)ethyl]-4-amino-1,8-naphthalenedicarbimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Amino-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)N)C=CC=C3C1=O","BLFBKDJHXLHOFB-UHFFFAOYSA-N",14300261,NA,"PDBC43027","748433","Present",NA,NA
+"43028","N-[2-(Dimethylamino)ethyl]-4-methoxyphenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-4-methoxyphenazine-1-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=C(C2=NC3=CC=CC=C3N=C12)OC.Cl","QQRDVCVLZGLEDU-UHFFFAOYSA-N",358164,NA,"PDBC43028","617983","Present",NA,NA
+"43029","N-[2-(Dimethylamino)ethyl]-5-methylacridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, N-[2-(dimethylamino)ethyl]-5- met...",NA,"CC1=C2C(=CC=C1)C=C3C=CC=C(C3=N2)C(=O)NCCN(C)C.Cl","QBGXRFUZJBIDMA-UHFFFAOYSA-N",358122,NA,"PDBC43029","617958","Present",NA,NA
+"43030","N-[2-(Dimethylamino)ethyl]-6-(4-fluorophenyl)phenanthridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-6-(4-fluorophenyl)phenanthridine-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=C(C=C4)F.Cl","YOBSELMNADAINB-UHFFFAOYSA-N",358115,NA,"PDBC43030","617952","Present",NA,NA
+"43031","N-[2-(Dimethylamino)ethyl]-6-methoxyphenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-6-methoxyphenazine-1-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C(=N2)C=CC=C3OC.Cl","QNFQHHJWMFGWGL-UHFFFAOYSA-N",358166,NA,"PDBC43031","617984","Present",NA,NA
+"43032","N-[2-(Dimethylamino)ethyl]-6-methylacridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-6-methylacridine-4-carboxamide;hydrochloride",NA,"CC1=CC2=C(C=C1)C=C3C=CC=C(C3=N2)C(=O)NCCN(C)C.Cl","PBAIHJTVHYFBTE-UHFFFAOYSA-N",358127,NA,"PDBC43032","617962","Present",NA,NA
+"43033","N-[2-(Dimethylamino)ethyl]-6-nitro-2-phenylquinoline-8-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-6-nitro-2-phenylquinoline-8-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC(=C1)[N+](=O)[O-])C=CC(=N2)C3=CC=CC=C3.Cl","QKVNGSKNCRQJQT-UHFFFAOYSA-N",358080,NA,"PDBC43033","617933","Present",NA,NA
+"43034","N-[2-(Dimethylamino)ethyl]-6-nitronaphthalene-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC615445///NSC615806",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1C=CC(=C2)[N+](=O)[O-].Cl","OHGOSYFAOBJNLU-UHFFFAOYSA-N",357259,NA,"PDBC43034","615445///615806","Present",NA,NA
+"43035","N-[2-(Dimethylamino)ethyl]-6-phenylphenanthridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-6-phenylphenanthridine-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=CC=C4.Cl","QGQHFZLKJLXZQL-UHFFFAOYSA-N",358111,NA,"PDBC43035","617950","Present",NA,NA
+"43036","N-[2-(Dimethylamino)ethyl]-6-pyridin-2-ylphenanthridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-6-pyridin-2-ylphenanthridine-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=CC=N4.Cl","FBNYAUGNOLFXPJ-UHFFFAOYSA-N",358119,NA,"PDBC43036","617954","Present",NA,NA
+"43037","N-[2-(Dimethylamino)ethyl]-6-pyridin-3-ylphenanthridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-6-pyridin-3-ylphenanthridine-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CN=CC=C4.Cl","BKZNDUCKIMPJRW-UHFFFAOYSA-N",358113,NA,"PDBC43037","617951","Present",NA,NA
+"43038","N-[2-(Dimethylamino)ethyl]-6-pyridin-4-ylphenanthridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-6-pyridin-4-ylphenanthridine-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=NC=C4.Cl","SQJCTTHZCSPERD-UHFFFAOYSA-N",358117,NA,"PDBC43038","617953","Present",NA,NA
+"43039","N-[2-(Dimethylamino)ethyl]-7-hydroxyacridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-7-hydroxyacridine-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC(=C3)O)N=C21.Cl","QKMJKHXMFKDKTD-UHFFFAOYSA-N",358124,NA,"PDBC43039","617960","Present",NA,NA
+"43040","N-[2-(Dimethylamino)ethyl]-7-methoxyacridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-7-methoxyacridine-4-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C=CC(=C3)OC)N=C21.Cl","MCSSTBANMDWUNB-UHFFFAOYSA-N",358123,NA,"PDBC43040","617959","Present",NA,NA
+"43041","N-[2-(Dimethylamino)ethyl]-7-methoxyphenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-7-methoxyphenazine-1-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=C(C=CC3=N2)OC.Cl","FVVODELBJPNCEC-UHFFFAOYSA-N",358144,NA,"PDBC43041","617973","Present",NA,NA
+"43042","N-[2-(Dimethylamino)ethyl]-7-methylacridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-7-methylacridine-4-carboxamide;hydrochloride",NA,"CC1=CC2=C(C=C1)N=C3C(=C2)C=CC=C3C(=O)NCCN(C)C.Cl","VAXDJRGINUIRSX-UHFFFAOYSA-N",358128,NA,"PDBC43042","617963","Present",NA,NA
+"43043","N-[2-(Dimethylamino)ethyl]-7-methylphenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-7-methylphenazine-1-carboxamide;hydrochloride",NA,"CC1=CC2=NC3=CC=CC(=C3N=C2C=C1)C(=O)NCCN(C)C.Cl","OLHRGRCGILWZNX-UHFFFAOYSA-N",358154,NA,"PDBC43043","617978","Present",NA,NA
+"43044","N-[2-(Dimethylamino)ethyl]-8-methoxyphenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-8-methoxyphenazine-1-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC(=CC3=N2)OC.Cl","FDOHGISWANNBPQ-UHFFFAOYSA-N",358160,NA,"PDBC43044","617981","Present",NA,NA
+"43045","N-[2-(Dimethylamino)ethyl]-8-methylacridine-4-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-8-methylacridine-4-carboxamide;hydrochloride",NA,"CC1=C2C=C3C=CC=C(C3=NC2=CC=C1)C(=O)NCCN(C)C.Cl","TWIMSDTXKAKKKR-UHFFFAOYSA-N",358130,NA,"PDBC43045","617964","Present",NA,NA
+"43046","N-[2-(Dimethylamino)ethyl]-9-ethoxyphenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-9-ethoxyphenazine-1-carboxamide;hydrochloride",NA,"CCOC1=CC=CC2=NC3=CC=CC(=C3N=C21)C(=O)NCCN(C)C.Cl","GNXDYWVVCGSBNI-UHFFFAOYSA-N",358146,NA,"PDBC43046","617974","Present",NA,NA
+"43047","N-[2-(Dimethylamino)ethyl]-9-methylphenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]-9-methylphenazine-1-carboxamide;hydrochloride",NA,"CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCN(C)C.Cl","JKKJVLBQDBCKIJ-UHFFFAOYSA-N",358142,NA,"PDBC43047","617972","Present",NA,NA
+"43048","N-[2-(Dimethylamino)ethyl]anthracene-9-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]anthracene-9-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31.Cl","FCRNFZYYTWWSDB-UHFFFAOYSA-N",357356,NA,"PDBC43048","615791","Present",NA,NA
+"43049","N-[2-(Dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]benzo[a]phenazine-11-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC4=CC=CC=C4C3=N2.Cl","HMSOVUNJPQGGQI-UHFFFAOYSA-N",358152,NA,"PDBC43049","617977","Present",NA,NA
+"43050","N-[2-(Dimethylamino)ethyl]benzo[a]phenazine-6-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]benzo[a]phenazine-6-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC2=CC=CC=C2C3=NC4=CC=CC=C4N=C13.Cl","CCUBZQUDJICEFB-UHFFFAOYSA-N",358148,NA,"PDBC43050","617975","Present",NA,NA
+"43051","N-[2-(Dimethylamino)ethyl]benzo[c]acridine-11-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]benzo[c]acridine-11-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=CC=CC2=CC3=C(C4=CC=CC=C4C=C3)N=C21.Cl","KEZIABMGAHTUOI-UHFFFAOYSA-N",358132,NA,"PDBC43051","617965","Present",NA,NA
+"43052","N-[2-(Dimethylamino)ethyl]pyrido[2,3-a]phenazine-11-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Dimethylamino)ethyl]pyrido[2,3-a]phenazine-11-carboxamide;hydrochloride",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=C3C=CC4=C(C3=N2)N=CC=C4.Cl","KKTTZNUBMMPJME-UHFFFAOYSA-N",358172,NA,"PDBC43052","617987","Present",NA,NA
+"43053","N-[2-(Ethylamino)ethyl]-4-iodobenzamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665373",NA,"CCNCCNC(=O)C1=CC=C(C=C1)I.Cl","SWQHSSLBMXDILF-UHFFFAOYSA-N",380075,NA,"PDBC43053","665373","Present",NA,NA
+"43054","N-[2-(Hydrazinecarbonyl)-4-nitrophenyl]adamantane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(Hydrazinecarbonyl)-4-nitrophenyl]adamantane-1-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C(=O)NN","ONIYDIDSWVECCT-UHFFFAOYSA-N",5472393,NA,"PDBC43054","718359","Present",NA,NA
+"43055","N-[2-(Piperidinylamino)ethyl]-4-iodobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-IPAB",NA,"C1CCN(CC1)CCNC(=O)C2=CC=C(C=C2)I","WCMWVYQHPUQKHW-UHFFFAOYSA-N",127898,NA,"PDBC43055","665366","Present",NA,NA
+"43056","N-[2-Acetamido-6-[[(2R,3S)-2-(dibenzylamino)-3-hydroxyhexyl]amino]pyrimidin-4-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Acetamido-6-[[(2R,3S)-2-(dibenzylamino)-3-hydroxyhexyl]amino]pyrimidin-4-yl]acetamide",NA,"CCCC(C(CNC1=CC(=NC(=N1)NC(=O)C)NC(=O)C)N(CC2=CC=CC=C2)CC3=CC=CC=C3)O","NGFMYTICAGJPHK-RPBOFIJWSA-N",396448,NA,"PDBC43056","702421","Present",NA,NA
+"43057","N-[2-Benzyl-3-(5-hydroxypyridin-2-yl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Benzyl-3-(5-hydroxypyridin-2-yl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide",NA,"CC(C1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)(CC3=NC=C(C=C3)O)NC(=O)C4=CC=CC=C4","UMEPVGVOLFLLID-VUUJKMBOSA-N",5470926,NA,"PDBC43057","706391","Present",NA,NA
+"43058","N-[2-Chloro-5-(4-chlorophenyl)sulfonylphenyl]-2-hydroxy-3,5-diiodobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{2-chloro-5-[(4-chlorophenyl)sulfonyl]phenyl}-2-hydrox...",NA,"C1=CC(=CC=C1S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)C3=C(C(=CC(=C3)I)I)O)Cl","FYEYHDOOAYIROF-UHFFFAOYSA-N",2832028,NA,"PDBC43058","741096","Present",NA,NA
+"43059","N-[2-Chloro-5-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]pyridin-3-yl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787583///MTX-211",NA,"CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)Cl","GUYKCXXNIKKSBC-UHFFFAOYSA-N",121416213,NA,"PDBC43059","787583///803248","Present",NA,NA
+"43060","N-[2-Diethylaminoethyloxy(diphenyl)methyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Diethylaminoethyloxy(diphenyl)methyl]acetamide",NA,"CCN(CC)CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)NC(=O)C","XOPUGCLJVBNFOG-UHFFFAOYSA-N",379856,NA,"PDBC43060","664992","Present",NA,NA
+"43061","N-[2-Dimethylarsanylsulfanyl-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-D-Glucopyranose, 2-(acetylamino)-2-deoxy-1-thio-,...",NA,"CC(=O)NC1C(C(C(OC1S[As](C)C)CO)O)O","KLFSMWAVZVWSJT-UHFFFAOYSA-N",324686,NA,"PDBC43061","290806","Present",NA,NA
+"43062","N-[2-Fluoro-5-[[3-(7H-purin-6-yl)pyridin-2-yl]amino]phenyl]-3,5-bis(trifluoromethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{2-Fluoro-5-[3-(9H-purin-6-yl)-pyridin-2-ylamino]-phen...",NA,"C1=CC(=C(N=C1)NC2=CC(=C(C=C2)F)NC(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=C5C(=NC=N4)N=CN5","XFEORFKJWFWIIA-UHFFFAOYSA-N",130321895,NA,"PDBC43062","791136","Present",NA,NA
+"43063","N-[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-9-(4-sulfamoylanilino)acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NC(CO)(CO)CO)NC4=CC=C(C=C4)S(=O)(=O)N","WQEPGRUINPRKNF-UHFFFAOYSA-N",384533,NA,"PDBC43063","674504","Present",NA,NA
+"43064","N-[2-Methoxy-4-[3-methoxy-4-[(4-pentoxyphenyl)methylideneamino]phenyl]phenyl]-1-(4-pentoxyphenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Methoxy-4-[3-methoxy-4-[(4-pentoxyphenyl)methylideneamino]phenyl]phenyl]-1-(4-pentoxyphenyl)methanimine",NA,"CCCCCOC1=CC=C(C=C1)C=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=CC4=CC=C(C=C4)OCCCCC)OC)OC","RAOGQXIMGQUEKD-UHFFFAOYSA-N",357336,NA,"PDBC43064","615603","Present",NA,NA
+"43065","N-[2-Methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)-3-oxo-1H-pyrazol-5-yl]acetamide",NA,"CC1=NN=C(S1)C2=C(NN(C2=O)C)NC(=O)C","MEMMGZUHYZCBFE-UHFFFAOYSA-N",373160,NA,"PDBC43065","649103","Present",NA,NA
+"43066","N-[2-Methyl-4-[[3-methyl-4-[[2-oxo-2-(4-oxo-1,2,3,5a,9a,10-hexahydrophenothiazin-3-yl)acetyl]amino]-5-propan-2-ylphenyl]methyl]-6-propan-2-ylphenyl]-2-oxo-2-(4-oxo-1,2,3,5a,9a,10-hexahydrophenothiazin-3-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Methyl-4-[[3-methyl-4-[[2-oxo-2-(4-oxo-1,2,3,5a,9a,10-hexahydrophenothiazin-3-yl)acetyl]amino]-5-propan-2-ylphenyl]methyl]-6-propan-2-ylphenyl]-2-oxo-2-(4-oxo-1,2,3,5a,9a,10-hexahydrophenothiazin",NA,"CC1=CC(=CC(=C1NC(=O)C(=O)C2CCC3=C(C2=O)SC4C=CC=CC4N3)C(C)C)CC5=CC(=C(C(=C5)C)NC(=O)C(=O)C6CCC7=C(C6=O)SC8C=CC=CC8N7)C(C)C","XWKSBKRCAICLRX-UHFFFAOYSA-N",373464,NA,"PDBC43066","649821","Present",NA,NA
+"43067","N-[2-Nitro-4-(trifluoromethyl)phenyl]-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Nitro-4-(trifluoromethyl)phenyl]-2-oxo-2-(5-oxo-2-sulfanylideneimidazolidin-4-yl)acetamide",NA,"C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NC(=O)C(=O)C2C(=O)NC(=S)N2","PUUCYBHJCJWIQX-UHFFFAOYSA-N",3004248,NA,"PDBC43067","640351","Present",NA,NA
+"43068","N-[2-Nitro-4-(trifluoromethyl)phenyl]-N'-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Nitro-4-(trifluoromethyl)phenyl]-N'-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)oxamide",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)C(=O)NC3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]","KLUYAGICHNCCFC-UHFFFAOYSA-N",3000681,NA,"PDBC43068","644768","Present",NA,NA
+"43069","N-[2-Nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Nitro-4-(trifluoromethyl)phenyl]pyridine-3-carboxamide",NA,"C1=CC(=CN=C1)C(=O)NC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]","DULNYMNWPPXKON-UHFFFAOYSA-N",279886,NA,"PDBC43069","131184","Present",NA,NA
+"43070","N-[2-Oxo-2-(2-phenylhydrazinyl)ethyl]-1-phenylmethanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Oxo-2-(2-phenylhydrazinyl)ethyl]-1-phenylmethanesulfonamide",NA,"C1=CC=C(C=C1)CS(=O)(=O)NCC(=O)NNC2=CC=CC=C2","DXCUNBGVJKJJGW-UHFFFAOYSA-N",344245,NA,"PDBC43070","401044","Present",NA,NA
+"43071","N-[2-Oxo-3-[(3,5-dimethyl-1H-pyrrole-2-yl)methylene]indoline-5-yl]-N'-hydroxyoctanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-N1-(3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-2-oxo...",NA,"CC1=CC(=C(N1)C=C2C3=C(C=CC(=C3)NC(=O)CCCCCCC(=O)NO)NC2=O)C","YMQGJWXACDXDFY-AQTBWJFISA-N",56932478,NA,"PDBC43071","774913","Present",NA,NA
+"43072","N-[2-Oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-Oxo-6-phenyl-4-(trifluoromethyl)-1H-pyridin-3-yl]morpholine-4-carboxamide",NA,"C1COCCN1C(=O)NC2=C(C=C(NC2=O)C3=CC=CC=C3)C(F)(F)F","RNIBLZYTCVSWHN-UHFFFAOYSA-N",397742,NA,"PDBC43072","706165","Present",NA,NA
+"43073","N-[2-[(2,3,5-Trimethyl-2,3-dihydro-1H-1-benzazepin)-1-yl]ethyl]-p-toluenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[2-(2,3,5-trimethyl-2,3-dihydro-1-benzazepin-1-yl)ethyl]benzenesulfonamide",NA,"CC1C=C(C2=CC=CC=C2N(C1C)CCNS(=O)(=O)C3=CC=C(C=C3)C)C","GNQPOUDSQAHPQM-UHFFFAOYSA-N",379687,NA,"PDBC43073","664562","Present",NA,NA
+"43074","N-[2-[(2E)-2-[[4-(Dimethylamino)phenyl]methylidene]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[(2E)-2-[[4-(Dimethylamino)phenyl]methylidene]-3,7-dioxo-[1,3]thiazolo[3,2-b][1,2,4]triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=O)C(=N3)C4=CC=CC=C4NC(=O)C(F)(F)F)S2","GITPGUPSPRSBTR-LFIBNONCSA-N",5351356,NA,"PDBC43074","623095","Present",NA,NA
+"43075","N-[2-[(5-Methoxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Methoxybenzo[d]thiazol-2-yl)-3-(4-methoxyphenyl)-4-...",NA,"COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCC(=O)NC4=NC5=C(S4)C=CC(=C5)OC","IEJHSMZALMVEED-UHFFFAOYSA-N",60148090,NA,"PDBC43075","753603","Present",NA,NA
+"43076","N-[2-[(6S)-6-[Dimethyl(phenyl)silyl]cyclohexen-1-yl]ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[(6S)-6-[Dimethyl(phenyl)silyl]cyclohexen-1-yl]ethyl]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-2-amine",NA,"C[Si](C)(C1CCCC=C1CCNC2C3=CC=CC=C3CCC4=CC=CC=C24)C5=CC=CC=C5","NYHAHOCEINZAFC-PMERELPUSA-N",401718,NA,"PDBC43076","715448","Present",NA,NA
+"43077","N-[2-[(E)-[(2-Diethoxyphosphorylbutan-2-ylamino)-[[4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-yl]amino]methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[(E)-[(2-Diethoxyphosphorylbutan-2-ylamino)-[[4,4,6-tris(trifluoromethyl)-1,3,5-oxadiazin-2-yl]amino]methylidene]amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]acetamide",NA,"CCC(C)(NC(=NC(C(F)(F)F)(C(F)(F)F)NC(=O)C)NC1=NC(N=C(O1)C(F)(F)F)(C(F)(F)F)C(F)(F)F)P(=O)(OCC)OCC","SJDKFYPJAFTDHU-UHFFFAOYSA-N",5898147,NA,"PDBC43077","670110","Present",NA,NA
+"43078","N-[2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[(Z)-6-(2-Methylsulfanylphenyl)hex-3-en-1,5-diynyl]phenyl]propanamide",NA,"CCC(=O)NC1=CC=CC=C1C#CC=CC#CC2=CC=CC=C2SC","FADSVDANHJEFJG-PLNGDYQASA-N",45028778,NA,"PDBC43078","744166","Present",NA,NA
+"43079","N-[2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[(Z)-6-[2-(Trifluoromethyl)phenyl]hex-3-en-1,5-diynyl]phenyl]propanamide",NA,"CCC(=O)NC1=CC=CC=C1C#CC=CC#CC2=CC=CC=C2C(F)(F)F","JLDMNZOCZABNMV-ARJAWSKDSA-N",45028777,NA,"PDBC43079","744165","Present",NA,NA
+"43080","N-[2-[1-(Chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[1-(Chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide",NA,"C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C7=CC=CC=C72)[N+](=O)[O-])CCl","DVVBTBQPDKMSFZ-UHFFFAOYSA-N",5470090,NA,"PDBC43080","697536","Present",NA,NA
+"43081","N-[2-[2,2-Bis(1H-indol-3-yl)ethyl]phenyl]but-2-ynamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2,2-Bis(1H-indol-3-yl)ethyl]phenyl]but-2-ynamide",NA,"CC#CC(=O)NC1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","GYZQEZMLGAYNIU-UHFFFAOYSA-N",370359,NA,"PDBC43081","643422","Present",NA,NA
+"43082","N-[2-[2,2-Bis(1H-indol-3-yl)ethyl]phenyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2,2-Bis(1H-indol-3-yl)ethyl]phenyl]prop-2-enamide",NA,"C=CC(=O)NC1=CC=CC=C1CC(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","XVWJGTLUIRCHGF-UHFFFAOYSA-N",370357,NA,"PDBC43082","643420","Present",NA,NA
+"43083","N-[2-[2-(1,4-Dihydroindeno[1,2-b]pyrrole-3-carbonylamino)ethyl-methylamino]ethyl]-1,4-dihydroindeno[1,2-b]pyrrole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2-(1,4-Dihydroindeno[1,2-b]pyrrole-3-carbonylamino)ethyl-methylamino]ethyl]-1,4-dihydroindeno[1,2-b]pyrrole-3-carboxamide",NA,"CN(CCNC(=O)C1=CNC2=C1CC3=CC=CC=C32)CCNC(=O)C4=CNC5=C4CC6=CC=CC=C65","VQCDJAMDHXQIEV-UHFFFAOYSA-N",400627,NA,"PDBC43083","712785","Present",NA,NA
+"43084","N-[2-[2-(2,4-Dihydroindeno[1,2-c]pyrazole-3-carbonylamino)ethyl-methylamino]ethyl]-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2-(2,4-Dihydroindeno[1,2-c]pyrazole-3-carbonylamino)ethyl-methylamino]ethyl]-2,4-dihydroindeno[1,2-c]pyrazole-3-carboxamide",NA,"CN(CCNC(=O)C1=C2CC3=CC=CC=C3C2=NN1)CCNC(=O)C4=C5CC6=CC=CC=C6C5=NN4","VZXHQTVBIVBYAV-UHFFFAOYSA-N",399545,NA,"PDBC43084","710409","Present",NA,NA
+"43085","N-[2-[2-(2-Formamidophenoxy)ethoxy]phenyl]formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2-(2-Formamidophenoxy)ethoxy]phenyl]formamide",NA,"C1=CC=C(C(=C1)NC=O)OCCOC2=CC=CC=C2NC=O","WIBSPCCUZNDTKQ-UHFFFAOYSA-N",394576,NA,"PDBC43085","698145","Present",NA,NA
+"43086","N-[2-[2-(2H-Benzo[g]indazole-3-carbonylamino)ethyl-methylamino]ethyl]-2H-benzo[g]indazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2-(2H-Benzo[g]indazole-3-carbonylamino)ethyl-methylamino]ethyl]-2H-benzo[g]indazole-3-carboxamide",NA,"CN(CCNC(=O)C1=C2C=CC3=CC=CC=C3C2=NN1)CCNC(=O)C4=C5C=CC6=CC=CC=C6C5=NN4","VINRVJKYGRYUIL-UHFFFAOYSA-N",403554,NA,"PDBC43086","718578","Present",NA,NA
+"43087","N-[2-[2-(Aminocarbonyl)hydrazino]-4-oxoquinazolin-3(4H)-yl]-N'-(2,4-dichlorophenyl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(2-(2-Carbamoylhydrazinyl)-4-oxoquinazolin-3(4H)-yl)-...",NA,"C1=CC=C2C(=C1)C(=O)N(C(=N2)NNC(=O)N)NC(=O)C(=O)NC3=C(C=C(C=C3)Cl)Cl","CTPRQYIUJGHBCA-UHFFFAOYSA-N",372950,NA,"PDBC43087","648662","Present",NA,NA
+"43088","N-[2-[2-Aminoethyl(nonanoyl)amino]ethyl]nonanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nonanamide, N-(2-aminoethyl)- N-[2-[(1-oxononyl)amino]et...",NA,"CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC","VEWSIAVHSPXXPI-UHFFFAOYSA-N",372547,NA,"PDBC43088","647758","Present",NA,NA
+"43089","N-[2-[2-[2-(2-Acetamidophenyl)sulfanylethyldisulfanyl]ethylsulfanyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2-[2-(2-Acetamidophenyl)sulfanylethyldisulfanyl]ethylsulfanyl]phenyl]acetamide",NA,"CC(=O)NC1=CC=CC=C1SCCSSCCSC2=CC=CC=C2NC(=O)C","MJRSTTUCTPSJDM-UHFFFAOYSA-N",403665,NA,"PDBC43089","718740","Present",NA,NA
+"43090","N-[2-[2-[2-[Benzoyl-[cyano(phenyl)methyl]amino]ethoxy]ethoxy]ethyl]-N-[cyano(phenyl)methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2-[2-[Benzoyl-[cyano(phenyl)methyl]amino]ethoxy]ethoxy]ethyl]-N-[cyano(phenyl)methyl]benzamide",NA,"C1=CC=C(C=C1)C(C#N)N(CCOCCOCCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","DIEUOYCDCQFUSH-UHFFFAOYSA-N",387716,NA,"PDBC43090","681745","Present",NA,NA
+"43091","N-[2-[2-[3-(2-Acetamidoethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[2-[3-(2-Acetamidoethyl)-1H-indol-2-yl]-1H-indol-3-yl]ethyl]acetamide",NA,"CC(=O)NCCC1=C(NC2=CC=CC=C21)C3=C(C4=CC=CC=C4N3)CCNC(=O)C","AKOQBBHTVMWPFK-UHFFFAOYSA-N",392229,NA,"PDBC43091","692361","Present",NA,NA
+"43092","N-[2-[3,5-Bis(phenylmethoxy)phenyl]ethyl]-3-(3,4-dihydroxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[3,5-Bis(phenylmethoxy)phenyl]ethyl]-3-(3,4-dihydroxyphenyl)propanamide",NA,"C1=CC=C(C=C1)COC2=CC(=CC(=C2)CCNC(=O)CCC3=CC(=C(C=C3)O)O)OCC4=CC=CC=C4","QKKASNALDDWHGW-UHFFFAOYSA-N",389930,NA,"PDBC43092","686583","Present",NA,NA
+"43093","N-[2-[3-[2-(Ethenylcarbamoylamino)-2-oxoethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[3-[2-(Ethenylcarbamoylamino)-2-oxoethyl]sulfanyl-5-oxo-4H-1,2,4-triazin-6-yl]phenyl]-2,2,2-trifluoroacetamide",NA,"C=CNC(=O)NC(=O)CSC1=NN=C(C(=O)N1)C2=CC=CC=C2NC(=O)C(F)(F)F","CYQLPVMZNVODLN-UHFFFAOYSA-N",135416967,NA,"PDBC43093","623087","Present",NA,NA
+"43094","N-[2-[3-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-1,2,4-triazol-1-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[3-[3-Acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-1,2,4-triazol-1-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",NA,"CC(=O)NC1C(C(C(OC1N2C=NC(=N2)SC3C(C(C(C(O3)CO)O)O)NC(=O)C)CO)O)O","BSUKBJNJKVMBDU-UHFFFAOYSA-N",397602,NA,"PDBC43094","705943","Present",NA,NA
+"43095","N-[2-[5-Acetamido-6-[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-[2-(Acetylamino)-2-deoxy-.beta.-D-glucopyranosyl-(1->4...",NA,"CC(=O)NC1C(C(C(OC1OC2C(OC(C(C2O)NC(=O)C)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)CO)CO)O)O","AAXBYWCGVCDLAE-UHFFFAOYSA-N",390567,NA,"PDBC43095","688076","Present",NA,NA
+"43096","N-[2-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[2-[[5-amino-1-(chloromethyl)-1,2-dihydro- ...",NA,"CC(=O)NC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl","FZNXAZLPNZVWBS-UHFFFAOYSA-N",392734,NA,"PDBC43096","693540","Present",NA,NA
+"43097","N-[2-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylethyl]-3-(4-hydroxy-3-iodophenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylethyl]-3-(4-hydroxy-3-iodophenyl)propanamide",NA,"C1=CC(=C(C=C1CCC(=O)NCCSC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N)I)O","HMDUDYOOQWFSCQ-UHFFFAOYSA-N",374639,NA,"PDBC43097","652618","Present",NA,NA
+"43098","N-[2-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylethyl]-3-(4-hydroxyphenyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylethyl]-3-(4-hydroxyphenyl)propanamide",NA,"C1=CC(=CC=C1CCC(=O)NCCSC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N)O","UJTXAJGESSLYKI-UHFFFAOYSA-N",374638,NA,"PDBC43098","652617","Present",NA,NA
+"43099","N-[2-[Bis(3-oxo-5-chloro-3H-1,2-dithiol-4-yl)amino]ethyl]-3,4,5,6-tetrachlorophthalimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[Bis(3-oxo-5-chloro-3H-1,2-dithiol-4-yl)amino]ethyl]-3,4,5,6-tetrachlorophthalimide",NA,"C(CN(C1=C(SSC1=O)Cl)C2=C(SSC2=O)Cl)N3C(=O)C4=C(C3=O)C(=C(C(=C4Cl)Cl)Cl)Cl","DPJOIFQITJHXDJ-UHFFFAOYSA-N",402776,NA,"PDBC43099","716983","Present",NA,NA
+"43100","N-[2-[Bis[2-[(1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl)amino]ethyl]amino]ethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[Bis[2-[(1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl)amino]ethyl]amino]ethyl]-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide",NA,"CC12CC(CC(C1)(C)C(=O)NCCN(CCNC(=O)C3(CC4(CC(C3)(C(=O)NC4=O)C)C)C)CCNC(=O)C5(CC6(CC(C5)(C(=O)NC6=O)C)C)C)(C(=O)NC2=O)C","SZSFVGUMWJLNIQ-UHFFFAOYSA-N",362759,NA,"PDBC43100","627019","Present",NA,NA
+"43101","N-[2-[Bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[Bis[2-[(1-hydroxy-6-oxopyridine-2-carbonyl)amino]ethyl]amino]ethyl]-1-hydroxy-6-oxopyridine-2-carboxamide",NA,"C1=CC(=O)N(C(=C1)C(=O)NCCN(CCNC(=O)C2=CC=CC(=O)N2O)CCNC(=O)C3=CC=CC(=O)N3O)O","MOHWRCPRCZDYRX-UHFFFAOYSA-N",391972,NA,"PDBC43101","691694","Present",NA,NA
+"43102","N-[2-[Bis[2-[[3-[3-(dimethylcarbamoyl)-2-methoxyphenyl]-2-methoxybenzoyl]amino]ethyl]amino]ethyl]-3-[3-(dimethylcarbamoyl)-2-methoxyphenyl]-2-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[Bis[2-[[3-[3-(dimethylcarbamoyl)-2-methoxyphenyl]-2-methoxybenzoyl]amino]ethyl]amino]ethyl]-3-[3-(dimethylcarbamoyl)-2-methoxyphenyl]-2-methoxybenzamide",NA,"CN(C)C(=O)C1=CC=CC(=C1OC)C2=C(C(=CC=C2)C(=O)NCCN(CCNC(=O)C3=CC=CC(=C3OC)C4=C(C(=CC=C4)C(=O)N(C)C)OC)CCNC(=O)C5=CC=CC(=C5OC)C6=C(C(=CC=C6)C(=O)N(C)C)OC)OC","JWGGTBAIDBNVSU-UHFFFAOYSA-N",385043,NA,"PDBC43102","675964","Present",NA,NA
+"43103","N-[2-[Methyl-[2-[(1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[Methyl-[2-[(1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,"CN(CCNC(=O)C1=NN(C2=C1CC3=CC=CC=C32)C4=CC=CC=C4)CCNC(=O)C5=NN(C6=C5CC7=CC=CC=C76)C8=CC=CC=C8","HDUFPFHIONJNJK-UHFFFAOYSA-N",399547,NA,"PDBC43103","710411","Present",NA,NA
+"43104","N-[2-[Methyl-[2-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[Methyl-[2-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]ethyl]amino]ethyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride",NA,"CN(CCNC(=O)C1=NN(C2=C1C=CC3=CC=CC=C32)C4=CC=CC=C4)CCNC(=O)C5=NN(C6=C5C=CC7=CC=CC=C76)C8=CC=CC=C8.Cl","MKWFNTIBENSCEI-UHFFFAOYSA-N",402066,NA,"PDBC43104","715764","Present",NA,NA
+"43105","N-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-oxo-5,8-dioxaspiro[3.4]oct-1-ene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[Tert-butyl(dimethyl)silyl]oxyethyl]-2-[(2-methyl-1,3-dioxolan-2-yl)methyl]-3-oxo-5,8-dioxaspiro[3.4]oct-1-ene-1-carboxamide",NA,"CC1(OCCO1)CC2=C(C3(C2=O)OCCO3)C(=O)NCCO[Si](C)(C)C(C)(C)C","LJKLXIXQCNSINZ-UHFFFAOYSA-N",394541,NA,"PDBC43105","698086","Present",NA,NA
+"43106","N-[2-[[(4-Bromophenyl)sulfonylamino]carbamoyl]-5-chlorophenyl]adamantane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[[(4-Bromophenyl)sulfonylamino]carbamoyl]-5-chlorophenyl]adamantane-1-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NNS(=O)(=O)C5=CC=C(C=C5)Br","KAOICPRWZNOEPN-UHFFFAOYSA-N",403459,NA,"PDBC43106","718356","Present",NA,NA
+"43107","N-[2-[[(4-Chlorobenzoyl)amino]carbamoyl]-4-methylphenyl]adamantane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[[(4-Chlorobenzoyl)amino]carbamoyl]-4-methylphenyl]adamantane-1-carboxamide",NA,"CC1=CC(=C(C=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NNC(=O)C5=CC=C(C=C5)Cl","FARNQVMISDXBHT-UHFFFAOYSA-N",403458,NA,"PDBC43107","718355","Present",NA,NA
+"43108","N-[2-[[(E)-(3,5-Ditert-butyl-2-hydroxyphenyl)methylideneamino]carbamoyl]phenyl]thiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)-2-(thiop...",NA,"CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)C=NNC(=O)C2=CC=CC=C2NC(=O)C3=CC=CS3","KQEDZSKGRQCSEG-LQKURTRISA-N",155810765,NA,"PDBC43108","797764","Present",NA,NA
+"43109","N-[2-[[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-prop-2-enylamino]-2-oxoethyl]-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[[1-(Benzenesulfonyl)-3-methyl-7-phenylmethoxyindol-5-yl]-prop-2-enylamino]-2-oxoethyl]-2,2,2-trifluoroacetamide",NA,"CC1=CN(C2=C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)C(=O)CNC(=O)C(F)(F)F)S(=O)(=O)C4=CC=CC=C4","PHNZAHBPMCTNQK-UHFFFAOYSA-N",396979,NA,"PDBC43109","704216","Present",NA,NA
+"43110","N-[2-[[1-[2-[[1-[[1-[[6-Amino-1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-1-hexadecanoylpyrrolidine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[[1-[2-[[1-[[1-[[6-Amino-1-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3",NA,"CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N5CCCC5C(=O)NCC(=O)N","QREASIAFPQXMBI-UHFFFAOYSA-N",24205858,NA,"PDBC43110","737024","Present",NA,NA
+"43111","N-[2-[[2-(2,2-Dimethylpropanoylamino)-6-methoxyphenyl]disulfanyl]-3-methoxyphenyl]-2,2-dimethylpropanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[[2-(2,2-Dimethylpropanoylamino)-6-methoxyphenyl]disulfanyl]-3-methoxyphenyl]-2,2-dimethylpropanamide",NA,"CC(C)(C)C(=O)NC1=C(C(=CC=C1)OC)SSC2=C(C=CC=C2OC)NC(=O)C(C)(C)C","FBUCGLIXSPIFJN-UHFFFAOYSA-N",360049,NA,"PDBC43111","621847","Present",NA,NA
+"43112","N-[2-[[3-Benzoyl-4-(4-tolylacetylamino)phenyl]amino]-2-oxoet hyl]-4-phenylcinnamic acid amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[[3-benzoyl-4-(4-tolylacetylamino)phenyl]amino]-2-o...",NA,"CC1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)NC(=O)CNC(=O)C=CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","PGGJKBZUDITKPA-PTGBLXJZSA-N",5472583,NA,"PDBC43112","720289","Present",NA,NA
+"43113","N-[2-[[4,5-Dihydroxy-2-methyl-6-[(9-methylpurin-6-yl)amino]oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[[4,5-Dihydroxy-2-methyl-6-[(9-methylpurin-6-yl)amino]oxan-3-yl]amino]-2-oxoethyl]-14-methylpentadecanamide",NA,"CC1C(C(C(C(O1)NC2=C3C(=NC=N2)N(C=N3)C)O)O)NC(=O)CNC(=O)CCCCCCCCCCCCC(C)C","BYVJEJAJTFHTPY-UHFFFAOYSA-N",324540,NA,"PDBC43113","290511","Present",NA,NA
+"43114","N-[2-[[4-[3-(3-Hydroxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((4-(3-(3-hydroxyphenyl)-1-phenyl-1H-pyrazol-4-yl)p...",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F","FOPMQBUPEKOPAK-UHFFFAOYSA-N",155811777,NA,"PDBC43114","783565","Present",NA,NA
+"43115","N-[2-[[4-[3-(3-Methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)p...",NA,"COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCNS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5","RDPBWONLHIKQFR-UHFFFAOYSA-N",155810179,NA,"PDBC43115","783552","Present",NA,NA
+"43116","N-[2-[[4-[6-(4-Methoxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-2-yl]amino]ethyl]-4-(trifluoromethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((4-(6-(4-methoxyphenyl)imidazo[2,1-b]thiazol-5-yl)...",NA,"COC1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F","VSIGVIHPXWGQDB-UHFFFAOYSA-N",155816263,NA,"PDBC43116","780035","Present",NA,NA
+"43117","N-[2-[[[1-(Chloromethyl)-5-amino-1,2-dihydro-3H-benzo[e]indole]-3-yl]carbonyl]-1H-indole-5-yl]-2-benzofurancarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indole-3-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide",NA,"C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)NC(=O)C5=CC6=CC=CC=C6O5)C=C(C7=CC=CC=C72)N)CCl","ARHBFRMLLOEANX-UHFFFAOYSA-N",394233,NA,"PDBC43117","697537","Present",NA,NA
+"43118","N-[3,5-Bis(trifluoromethyl)phenyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinolinecarboxamide, N-[3,5-bis(trifluoromethyl)pheny...",NA,"COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","YTMWYACTRNTCIE-UHFFFAOYSA-N",335174,NA,"PDBC43118","343556","Present",NA,NA
+"43119","N-[3,5-Dicyano-6-hydroxy-4-(4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3,5-Dicyano-6-hydroxy-4-(4-methoxyphenyl)-2-oxopyridin-1(2H)-yl]-4-methylbenzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)O","JVFSFNVFNFLTKC-UHFFFAOYSA-N",390280,NA,"PDBC43119","687572","Present",NA,NA
+"43120","N-[3-(1,3-Benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(1,3-benzothiazol-2-yl)-5,6-dihydro-4H-thieno[2,3-c...",NA,"CC(=O)NC1=C(C2=C(S1)CNC2)C3=NC4=CC=CC=C4S3","MODNMLYGANOZDZ-UHFFFAOYSA-N",46925884,NA,"PDBC43120","782148","Present",NA,NA
+"43121","N-[3-(2,1,3-Benzothiadiazol-5-ylamino)quinoxalin-2-yl]-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754351///NSC755806",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=NSN=C5C=C4","MQMKRQLTIWPEDM-UHFFFAOYSA-N",1893730,NA,"PDBC43121","754351///755806","Present",NA,NA
+"43122","N-[3-(2,2-Dimethylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2,2-Dimethylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC(C)(C)C","OVRSQENETCIQEV-UHFFFAOYSA-N",374261,NA,"PDBC43122","651762","Present",NA,NA
+"43123","N-[3-(2-Acetamido-5-methoxyphenyl)-3-hydroxypropyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-Acetamido-5-methoxyphenyl)-3-hydroxypropyl]acetamide",NA,"CC(=O)NCCC(C1=C(C=CC(=C1)OC)NC(=O)C)O","FACAUFDMVUCAPB-UHFFFAOYSA-N",390660,NA,"PDBC43123","688267","Present",NA,NA
+"43124","N-[3-(2-Acetamido-5-methoxyphenyl)-3-oxopropyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-Acetamido-5-methoxyphenyl)-3-oxopropyl]acetamide",NA,"CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC(=O)C","NOMXCLBYFQKRDU-UHFFFAOYSA-N",390659,NA,"PDBC43124","688266","Present",NA,NA
+"43125","N-[3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-Amino-5-methoxyphenyl)-3-hydroxypropyl]acetamide",NA,"CC(=O)NCCC(C1=C(C=CC(=C1)OC)N)O","FSLGWVXOYYWJRH-UHFFFAOYSA-N",390661,NA,"PDBC43125","688268","Present",NA,NA
+"43126","N-[3-(2-Chloroethylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-Chloroethylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCCCl","SAIKXMSNJWTKGA-UHFFFAOYSA-N",377401,NA,"PDBC43126","658844","Present",NA,NA
+"43127","N-[3-(2-Formamido-5-methoxyphenyl)-3-hydroxypropyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-Formamido-5-methoxyphenyl)-3-hydroxypropyl]acetamide",NA,"CC(=O)NCCC(C1=C(C=CC(=C1)OC)NC=O)O","BDTYSQOGILJTPK-UHFFFAOYSA-N",390657,NA,"PDBC43127","688264","Present",NA,NA
+"43128","N-[3-(2-Hydroxyethylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-Hydroxyethylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCCO","VRNKFDRJFQCSIK-UHFFFAOYSA-N",374263,NA,"PDBC43128","651764","Present",NA,NA
+"43129","N-[3-(2-Methylanilino)quinoxalin-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z54633825",NA,"CC1=CC=CC=C1NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4","KMRIBBFVESYISD-UHFFFAOYSA-N",389566,NA,"PDBC43129","685873","Present",NA,NA
+"43130","N-[3-(2-Methylbutan-2-ylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-Methylbutan-2-ylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CCC(C)(C)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","XZYFVEOUCGADCL-UHFFFAOYSA-N",374269,NA,"PDBC43130","651770","Present",NA,NA
+"43131","N-[3-(2-Methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-Methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CCC(C)CNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","NNJDASHKHNFVIN-UHFFFAOYSA-N",374270,NA,"PDBC43131","651771","Present",NA,NA
+"43132","N-[3-(2-Methylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-Methylpropylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CC(C)CNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","DIARTZFBGMDPCR-UHFFFAOYSA-N",374279,NA,"PDBC43132","651780","Present",NA,NA
+"43133","N-[3-(2-Nitroimidazol-1-yl)propyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(2-Nitroimidazol-1-yl)propyl]-4-(3-nitro-1,2,4-triazol-1-yl)butanamide",NA,"C1=CN(C(=N1)[N+](=O)[O-])CCCNC(=O)CCCN2C=NC(=N2)[N+](=O)[O-]","HKKNUYUDWXULEK-UHFFFAOYSA-N",372716,NA,"PDBC43133","648276","Present",NA,NA
+"43134","N-[3-(3,4-Dimethoxyphenyl)propyl]-2-[2-(hydroxymethyl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(3,4-Dimethoxyphenyl)propyl]-2-[2-(hydroxymethyl)phenyl]acetamide",NA,"COC1=C(C=C(C=C1)CCCNC(=O)CC2=CC=CC=C2CO)OC","GRFMFHVAJWEDBA-UHFFFAOYSA-N",390037,NA,"PDBC43134","686951","Present",NA,NA
+"43135","N-[3-(3-Aminoanilino)quinoxalin-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(3-Aminoanilino)quinoxalin-2-yl]benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC(=C4)N","HHVNLSYOJFDIGD-UHFFFAOYSA-N",389583,NA,"PDBC43135","685888","Present",NA,NA
+"43136","N-[3-(3-Methylanilino)quinoxalin-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(3-Methylanilino)quinoxalin-2-yl]benzenesulfonamide",NA,"CC1=CC(=CC=C1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4","ZKTJOYBXTFYINO-UHFFFAOYSA-N",389567,NA,"PDBC43136","685874","Present",NA,NA
+"43137","N-[3-(3-Methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(3-Methylbutylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CC(C)CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","FYPXXCIMZZLZSR-UHFFFAOYSA-N",374268,NA,"PDBC43137","651769","Present",NA,NA
+"43138","N-[3-(3-Oxo-2H-1,2,4-triazin-5-yl)propyl]phenazine-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(3-Oxo-2H-1,2,4-triazin-5-yl)propyl]phenazine-1-carboxamide",NA,"C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)NCCCC4=NC(=O)NN=C4","KYURERXHIHHKBG-UHFFFAOYSA-N",403976,NA,"PDBC43138","719924","Present",NA,NA
+"43139","N-[3-(4-Chloro-phenyl)-3-hydroxy-3-phenyl-propanoyl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(4-Chloro-phenyl)-3-hydroxy-3-phenyl-propanoyl]-2-hydroxy-benzamide",NA,"C1=CC=C(C=C1)C(CC(=O)NC(=O)C2=CC=CC=C2O)(C3=CC=C(C=C3)Cl)O","DDEPSTRGUUWAKZ-UHFFFAOYSA-N",365313,NA,"PDBC43139","632901","Present",NA,NA
+"43140","N-[3-(4-Chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-(2-methylphenoxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(4-Chlorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-(2-methylphenoxy)propanamide",NA,"CC1=CC=CC=C1OC(C)C(=O)NN2C(=O)CC(=O)N(C2=S)C3=CC=C(C=C3)Cl","QBBNBCRPKDJUFD-UHFFFAOYSA-N",397270,NA,"PDBC43140","704798","Present",NA,NA
+"43141","N-[3-(4-Chlorophenyl)sulfanyl-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(4-Chlorophenyl)sulfanyl-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)SC3=CC=C(C=C3)Cl","BNMBDUXYBKOILC-UHFFFAOYSA-N",279002,NA,"PDBC43141","128981","Present",NA,NA
+"43142","N-[3-(4-Chlorophenyl)sulfonyl-5-nitro-2-thienyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(4-Chlorophenyl)sulfonyl-5-nitro-2-thienyl]acetamide",NA,"CC(=O)NC1=C(C=C(S1)[N+](=O)[O-])S(=O)(=O)C2=CC=C(C=C2)Cl","MXDQHZXKGXZCMO-UHFFFAOYSA-N",393676,NA,"PDBC43142","696052","Present",NA,NA
+"43143","N-[3-(4-Chlorophenyl)sulfonylthiophen-2-yl]-2,4-difluorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(4-Chlorophenyl)sulfonylthiophen-2-yl]-2,4-difluorobenzamide",NA,"C1=CC(=CC=C1S(=O)(=O)C2=C(SC=C2)NC(=O)C3=C(C=C(C=C3)F)F)Cl","CDCLFKQUHDVWBY-UHFFFAOYSA-N",399369,NA,"PDBC43143","710077","Present",NA,NA
+"43144","N-[3-(4-Chlorophenyl)sulfonylthiophen-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(4-Chlorophenyl)sulfonylthiophen-2-yl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=C(C=CS2)S(=O)(=O)C3=CC=C(C=C3)Cl","PABIFNKULJCOMR-UHFFFAOYSA-N",399371,NA,"PDBC43144","710079","Present",NA,NA
+"43145","N-[3-(4-Methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-(2-methylphenoxy)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(4-Methoxyphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]-2-(2-methylphenoxy)propanamide",NA,"CC1=CC=CC=C1OC(C)C(=O)NN2C(=O)CC(=O)N(C2=S)C3=CC=C(C=C3)OC","YPGWWWYPDQBJQY-UHFFFAOYSA-N",397272,NA,"PDBC43145","704800","Present",NA,NA
+"43146","N-[3-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3-isothiocyanato-N-methylpropan-1-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(5,6-Dihydrobenzo[b][1]benzazepin-11-yl)propyl]-3-isothiocyanato-N-methylpropan-1-amine;hydrochloride",NA,"CN(CCCN=C=S)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31.Cl","CCPYUTDSRNOGFR-UHFFFAOYSA-N",401800,NA,"PDBC43146","715529","Present",NA,NA
+"43147","N-[3-(5-Hydroxypyridin-2-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(5-Hydroxypyridin-2-yl)-2-methyl-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]benzamide",NA,"CC(C1=CC=CC=C1)NC(=O)C(C)(CC2=NC=C(C=C2)O)NC(=O)C3=CC=CC=C3","JDTAPMBODQRAOV-KEJDIYNNSA-N",5470925,NA,"PDBC43147","706390","Present",NA,NA
+"43148","N-[3-(6-Aminopurin-9-yl)propyl]hydroxylamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(6-Aminopurin-9-yl)propyl]hydroxylamine;hydrochloride",NA,"C1=NC(=C2C(=N1)N(C=N2)CCCNO)N.Cl","FXMNWKSXTXLRSD-UHFFFAOYSA-N",396009,NA,"PDBC43148","701178","Present",NA,NA
+"43149","N-[3-(Azepan-1-yl)quinoxalin-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AB01298041-01",NA,"C1CCCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4","NLYBSDNKLFTAMV-UHFFFAOYSA-N",389573,NA,"PDBC43149","685880","Present",NA,NA
+"43150","N-[3-(Butan-2-ylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Butan-2-ylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CCC(C)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C","HUGGBSGYJDWUGZ-UHFFFAOYSA-N",374278,NA,"PDBC43150","651779","Present",NA,NA
+"43151","N-[3-(Diethylamino)propyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Diethylamino)propyl]-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide",NA,"CCN(CC)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=NC=CN3C","GDYXIOUCSCHROO-UHFFFAOYSA-N",387304,NA,"PDBC43151","680997","Present",NA,NA
+"43152","N-[3-(Diethylamino)propyl]-2-hydroxy-4-nitrobenzamide;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Diethylamino)propyl]-2-hydroxy-4-nitrobenzamide;chloride",NA,"CCN(CC)CCCNC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])O.[Cl-]","ROPZHPRTBBQGFL-UHFFFAOYSA-M",24182380,NA,"PDBC43152","16096","Present",NA,NA
+"43153","N-[3-(Diethylamino)propyl]-N-(7-methoxyquinoxalin-5-yl)-4-methylbenzene-1-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Diethylamino)propyl]-N-(7-methoxyquinoxalin-5-yl)-4-methylbenzene-1-sulfonamide",NA,"CCN(CC)CCCN(C1=CC(=CC2=NC=CN=C12)OC)S(=O)(=O)C3=CC=C(C=C3)C","ZTPYPAVVDJXCNJ-UHFFFAOYSA-N",343869,NA,"PDBC43153","400402","Present",NA,NA
+"43154","N-[3-(Diethylaminomethyl)-4-methoxy-phenyl]-N-(4-dimethylaminocyclohexyl)quinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-[3-(Diethylaminomethyl)-4-methoxyphenyl]-4-N-[4-(dimethylamino)cyclohexyl]quinazoline-2,4-diamine;hydrochloride",NA,"CCN(CC)CC1=C(C=CC(=C1)NC2=NC3=CC=CC=C3C(=N2)NC4CCC(CC4)N(C)C)OC.Cl","IEVSPUOIQJBRLZ-UHFFFAOYSA-N",54610390,NA,"PDBC43154","174030","Present",NA,NA
+"43155","N-[3-(Dimethylamino)propyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-2-carboxamide",NA,"CN(C)CCCNC(=O)C1=CC2=C(C=C1)OC3=CC4=CC=CC=C4C(=O)N32","DLEMTURLDABFPQ-UHFFFAOYSA-N",24203803,NA,"PDBC43155","729608","Present",NA,NA
+"43156","N-[3-(Dimethylamino)propyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-11-oxo-[1,3]benzoxazolo[3,2-b]isoquinoline-3-carboxamide",NA,"CN(C)CCCNC(=O)C1=CC2=C(C=C1)N3C(=CC4=CC=CC=C4C3=O)O2","MNMLXYVRAICYQF-UHFFFAOYSA-N",24203800,NA,"PDBC43156","729605","Present",NA,NA
+"43157","N-[3-(Dimethylamino)propyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-11H-pyrido[2,3-a]carbazole-5-carboxamide;hydrochloride",NA,"CN(C)CCCNC(=O)C1=C2C=CC=NC2=C3C(=C1)C4=CC=CC=C4N3.Cl","JTDHNKPTMFOUIM-UHFFFAOYSA-N",45027935,NA,"PDBC43157","740207","Present",NA,NA
+"43158","N-[3-(Dimethylamino)propyl]-13-methyl-4-nitro-11-oxo-8,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1,3,5,7,9,12(16),14-heptaene-14-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-13-methyl-4-nitro-11-oxo-8,13,17-triazatetracyclo[8.7.0.02,7.012,16]heptadeca-1,3,5,7,9,12(16),14-heptaene-14-carboxamide",NA,"CN1C(=CC2=C1C(=O)C3=CN=C4C=CC(=CC4=C3N2)[N+](=O)[O-])C(=O)NCCCN(C)C","ICHBPAFVIXUXIS-UHFFFAOYSA-N",10320046,NA,"PDBC43158","737064","Present",NA,NA
+"43159","N-[3-(Dimethylamino)propyl]-3-(pyridin-3-yl)quinoline-4-carboxamideG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(dimethylamino)propyl]-3-(pyridin-3-yl)quinoline-4-...",NA,"CN(C)CCCNC(=O)C1=C(C=NC2=CC=CC=C21)C3=CN=CC=C3","KTYQGPZATNEGHW-UHFFFAOYSA-N",377699,NA,"PDBC43159","659290","Present",NA,NA
+"43160","N-[3-(Dimethylamino)propyl]-4-({N-[(9,10-dioxo-9,10-dihydroanthracen-2-yl)carbonyl]-beta-alanyl}amino)-1-methyl-1H-pyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-4-[3-[(9,10-dioxoanthracene-2-carbonyl)amino]propanoylamino]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","ATBCVVOBTYBRGF-UHFFFAOYSA-N",641665,NA,"PDBC43160","732056","Present",NA,NA
+"43161","N-[3-(Dimethylamino)propyl]-4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NCCCN(C)C)NS(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","ANCRTFGULDCQCO-UHFFFAOYSA-N",405340,NA,"PDBC43161","722563","Present",NA,NA
+"43162","N-[3-(Dimethylamino)propyl]-4-[3-[(9,10-dioxoanthracen-2-yl)sulfonylamino]propanoylamino]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-4-[3-[(9,10-dioxoanthracen-2-yl)sulfonylamino]propanoylamino]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)CCNS(=O)(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","BMCQKVOPTVOMNJ-UHFFFAOYSA-N",16736425,NA,"PDBC43162","732046","Present",NA,NA
+"43163","N-[3-(Dimethylamino)propyl]-4-[[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-4-[[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NCCCN(C)C)NC(=O)C2=CC(=CN2C)NS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O","ODMGGZOFYMGTCV-UHFFFAOYSA-N",405335,NA,"PDBC43163","722558","Present",NA,NA
+"43164","N-[3-(Dimethylamino)propyl]-4-[[4-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-5-methylthiophene-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-4-[[4-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-5-methylthiophene-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide",NA,"CC1=C(C=C(S1)C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O","RCHKDTCBHQVFJU-UHFFFAOYSA-N",45027932,NA,"PDBC43164","740201","Present",NA,NA
+"43165","N-[3-(Dimethylamino)propyl]-4-oxo-4-(4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-10-yl)butanamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-4-oxo-4-(4,5,15,16-tetramethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-10-yl)butanamide;hydrochloride",NA,"CN(C)CCCNC(=O)CCC(=O)N1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC)OC)OC)OC.Cl","PPYDBXAUKKBYRR-UHFFFAOYSA-N",374455,NA,"PDBC43165","652167","Present",NA,NA
+"43166","N-[3-(Dimethylamino)propyl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide",NA,"CN1C(=CC(=N1)NC(=O)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C(=O)NCCCN(C)C","KTJXZJPOJGFDAY-UHFFFAOYSA-N",405407,NA,"PDBC43166","722649","Present",NA,NA
+"43167","N-[3-(Dimethylamino)propyl]-5-[[4-[[4-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-2-methylpyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]-5-[[4-[[4-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]ami",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=NN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC","HHCOSHCWMAVZGH-UHFFFAOYSA-N",405411,NA,"PDBC43167","722653","Present",NA,NA
+"43168","N-[3-(Dimethylamino)propyl]naphthalene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZLXYCAQGOXUPPI-UHFFFAOYSA-N",NA,"CN(C)CCCNC(=O)C1=CC=CC2=CC=CC=C21","ZLXYCAQGOXUPPI-UHFFFAOYSA-N",375877,NA,"PDBC43168","656191","Present",NA,NA
+"43169","N-[3-(Dimethylamino)propyl]phenazine-1-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Dimethylamino)propyl]phenazine-1-carboxamide;hydrochloride",NA,"CN(C)CCCNC(=O)C1=CC=CC2=NC3=CC=CC=C3N=C21.Cl","FZSGELCSYYTNBS-UHFFFAOYSA-N",358168,NA,"PDBC43169","617985","Present",NA,NA
+"43170","N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]-4-fluorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]-4-fluorobenzamide",NA,"CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=C(C=C3)F","ZFGAEDYHZYWSJN-UHFFFAOYSA-N",377405,NA,"PDBC43170","658848","Present",NA,NA
+"43171","N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]-4-methoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]-4-methoxybenzamide",NA,"CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=C(C=C3)OC","RYUNJNABVVIRGA-UHFFFAOYSA-N",377417,NA,"PDBC43171","658860","Present",NA,NA
+"43172","N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]benzamide",NA,"CCNC1=C(C(=O)C2=CC=CC=C2C1=O)NC(=O)C3=CC=CC=C3","DQZTZWKPXFODJF-UHFFFAOYSA-N",377412,NA,"PDBC43172","658855","Present",NA,NA
+"43173","N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]butanamide",NA,"CCCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC","FCPAGJIWAOGAMI-UHFFFAOYSA-N",377414,NA,"PDBC43173","658857","Present",NA,NA
+"43174","N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Ethylamino)-1,4-dioxonaphthalen-2-yl]propanamide",NA,"CCC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC","DQAVXMSCTHLEHQ-UHFFFAOYSA-N",377419,NA,"PDBC43174","658862","Present",NA,NA
+"43175","N-[3-(Hydrazinecarbonyl)-2,4,5-triphenyl-4H-pyrazol-3-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Hydrazinecarbonyl)-2,4,5-triphenyl-4H-pyrazol-3-yl]benzamide",NA,"C1=CC=C(C=C1)C2C(=NN(C2(C(=O)NN)NC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","XGTAMSXGRUCMLO-UHFFFAOYSA-N",396296,NA,"PDBC43175","702000","Present",NA,NA
+"43176","N-[3-(Methylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanethioamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Methylamino)propyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)ethanethioamide;hydrochloride",NA,"CC1=CN(C(=O)NC1=O)CC(=S)NCCCNC.Cl","OYCFQCKVSBPEMX-UHFFFAOYSA-N",5470518,NA,"PDBC43176","702408","Present",NA,NA
+"43177","N-[3-(Methylthio)propyl]-2-oxo-3-[(3,5-dimethyl-1H-pyrrole-2-yl)methylene]indoline-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-N-(3-(met...",NA,"CC1=CC(=C(N1)C=C2C3=C(C=CC(=C3)C(=O)NCCCSC)NC2=O)C","ABLAJTWOWSSMFU-WJDWOHSUSA-N",56932525,NA,"PDBC43177","774914","Present",NA,NA
+"43178","N-[3-(Naphthalen-1-ylamino)quinoxalin-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(1-Naphthylamino)-2-quinoxalinyl)benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC=CC5=CC=CC=C54","QZVRBOHELCXCOK-UHFFFAOYSA-N",389581,NA,"PDBC43178","685886","Present",NA,NA
+"43179","N-[3-(Naphthalen-2-ylamino)quinoxalin-2-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-(Naphthalen-2-ylamino)quinoxalin-2-yl) benzenesulfo...",NA,"C1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NC4=CC5=CC=CC=C5C=C4","SKLSHCWBXLGPEZ-UHFFFAOYSA-N",389582,NA,"PDBC43179","685887","Present",NA,NA
+"43180","N-[3-(Tert-butylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(Tert-butylamino)-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NC(C)(C)C","CNRIMGNFZDCTGL-UHFFFAOYSA-N",374280,NA,"PDBC43180","651781","Present",NA,NA
+"43181","N-[3-Amino-2,3-e]pyri midin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Amino-2,3-dihydro-6-(thien-3-yl)-4-oxothieno[2,3-e]...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2N)SC(=C3)C4=CSC=C4","YQBFDUGRRBOJSW-UHFFFAOYSA-N",24202748,NA,"PDBC43181","725847","Present",NA,NA
+"43182","N-[3-Benzyl-3,3-e]pyrimidin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Benzyl-3,4-dihydro-4-oxothieno[2,3-e]pyrimidin-2-yl...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2CC4=CC=CC=C4)SC=C3","FGWFYZYCRFCCFS-UHFFFAOYSA-N",24202746,NA,"PDBC43182","725845","Present",NA,NA
+"43183","N-[3-Benzyl-3,4-e]pyrimidin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Benzyl-3,4-dihydro-4-oxothieno[3,4-e]pyrimidin-2-yl...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=CSC=C3C(=O)N2CC4=CC=CC=C4","KXBLDOASQRKYMG-UHFFFAOYSA-N",24202747,NA,"PDBC43183","725846","Present",NA,NA
+"43184","N-[3-Chloro-2-(2-chloro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(2-chloro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,"C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)Cl","ZOODFJBHTYHNCK-UHFFFAOYSA-N",374788,NA,"PDBC43184","653033","Present",NA,NA
+"43185","N-[3-Chloro-2-(2-hydroxy-naphthalen-1-yl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(2-hydroxy-naphthalen-1-yl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,"C1=CC=C2C(=C1)C=CC(=C2C3C(C(=O)N3NC(=O)C4=CC=CC=C4O)Cl)O","DRQSPJXYANHMHN-UHFFFAOYSA-N",374795,NA,"PDBC43185","653040","Present",NA,NA
+"43186","N-[3-Chloro-2-(2-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(2-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,"C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)O","HSFPEPKEBLETNN-UHFFFAOYSA-N",374784,NA,"PDBC43186","653029","Present",NA,NA
+"43187","N-[3-Chloro-2-(3,4-dimethoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(3,4-dimethoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,"COC1=C(C=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)OC","XPDCZPRYRUEWFS-UHFFFAOYSA-N",374793,NA,"PDBC43187","653038","Present",NA,NA
+"43188","N-[3-Chloro-2-(3-chloro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(3-chloro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,"C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)Cl)O","GVALIQHSELKKKI-UHFFFAOYSA-N",374789,NA,"PDBC43188","653034","Present",NA,NA
+"43189","N-[3-Chloro-2-(3-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(3-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,"C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)O)O","WOBGAHDETZNABX-UHFFFAOYSA-N",374791,NA,"PDBC43189","653036","Present",NA,NA
+"43190","N-[3-Chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,"COC1=C(C=CC(=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl)O","DNIZVVGRQYNGJF-UHFFFAOYSA-N",374792,NA,"PDBC43190","653037","Present",NA,NA
+"43191","N-[3-Chloro-2-(4-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(4-hydroxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,"C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)O)O","UOGKILIVBHEGSL-UHFFFAOYSA-N",374790,NA,"PDBC43191","653035","Present",NA,NA
+"43192","N-[3-Chloro-2-(4-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(4-methoxy-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,"COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl","FGVCQTXATMPVLT-UHFFFAOYSA-N",374785,NA,"PDBC43192","653030","Present",NA,NA
+"43193","N-[3-Chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(4-methoxyphenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide",NA,"COC1=CC=C(C=C1)C2C(C(=O)N2NC(=O)CC3=CC=CC=C3)Cl","SHZUIMLRNWAUEX-UHFFFAOYSA-N",373551,NA,"PDBC43193","650004","Present",NA,NA
+"43194","N-[3-Chloro-2-(4-nitro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-(4-nitro-phenyl)-4-oxo-azetidin-1-yl]-2-hydroxy-benzamide",NA,"C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-])O","WTESRMWBOCISMY-UHFFFAOYSA-N",374786,NA,"PDBC43194","653031","Present",NA,NA
+"43195","N-[3-Chloro-2-oxo-4-(3,4,5-trimethoxy-phenyl)-azetidin-1-yl]-2-hydroxy-benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-2-oxo-4-(3,4,5-trimethoxy-phenyl)-azetidin-1-yl]-2-hydroxy-benzamide",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(=O)N2NC(=O)C3=CC=CC=C3O)Cl","CWANEKNGPVYVPP-UHFFFAOYSA-N",374794,NA,"PDBC43195","653039","Present",NA,NA
+"43196","N-[3-Chloro-4-(4-chlorophenoxy)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-4-(4-chlorophenoxy)phenyl]-1-(3,4,5-trimethoxyphenyl)methanimine",NA,"COC1=CC(=CC(=C1OC)OC)C=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl","YFGJHIKEQGVIMJ-UHFFFAOYSA-N",392949,NA,"PDBC43196","694163","Present",NA,NA
+"43197","N-[3-Chloro-4-(4-chlorophenoxy)phenyl]-1-(4-chlorophenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-4-(4-chlorophenoxy)phenyl]-1-(4-chlorophenyl)methanimine",NA,"C1=CC(=CC=C1C=NC2=CC(=C(C=C2)OC3=CC=C(C=C3)Cl)Cl)Cl","GEPSSSHQLATEQF-UHFFFAOYSA-N",392945,NA,"PDBC43197","694159","Present",NA,NA
+"43198","N-[3-Chloro-4-(trifluoromethyl)phenyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-chloro-4-(trifluoromethyl)phenyl)-6-(3-(4-methylpip...",NA,"CN1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=C(C=C4)C(F)(F)F)Cl","SKXPTSHDNSHRST-UHFFFAOYSA-N",155806913,NA,"PDBC43198","787082","Present",NA,NA
+"43199","N-[3-Chloro-4-[[2-chloro-3,5-diethyl-4-[[2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyran-6-carbonyl]amino]phenyl]methyl]-2,6-diethylphenyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyran-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Chloro-4-[[2-chloro-3,5-diethyl-4-[[2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyran-6-carbonyl]amino]phenyl]methyl]-2,6-diethylphenyl]-2-(4-methoxyphenyl)-4-oxo-2,3-dihydropyran-6-carboxamide",NA,"CCC1=CC(=C(C(=C1NC(=O)C2=CC(=O)CC(O2)C3=CC=C(C=C3)OC)CC)Cl)CC4=C(C(=C(C(=C4)CC)NC(=O)C5=CC(=O)CC(O5)C6=CC=C(C=C6)OC)CC)Cl","NTUPMHSCROQOME-UHFFFAOYSA-N",371570,NA,"PDBC43199","645899","Present",NA,NA
+"43200","N-[3-Fluoro-5-(4-methylimidazol-1-yl)phenyl]-4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-fluoro-5-(4-methyl-1H-imidazol-1-yl)phenyl)-4-methy...",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC(=C2)F)N3C=C(N=C3)C)NC4=NC=CC(=N4)C5=CN=CC=C5","SDYGMEWQBSWSIW-UHFFFAOYSA-N",71521083,NA,"PDBC43200","762950","Present",NA,NA
+"43201","N-[3-Formamido-1,3-bis(p-tolylsulfonyl)propyl]formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Formamido-1,3-bis(p-tolylsulfonyl)propyl]formamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)C(CC(NC=O)S(=O)(=O)C2=CC=C(C=C2)C)NC=O","DDTMEZWPGDNZMA-UHFFFAOYSA-N",361859,NA,"PDBC43201","625180","Present",NA,NA
+"43202","N-[3-Furfuryl-3,3-e]pyrimidin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Furfuryl-3,4-dihydro-4-oxothieno[2,3-e]pyrimidin-2-...",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC3=C(C(=O)N2CC4=CC=CO4)SC=C3","QWFYSEWCNFXZPT-UHFFFAOYSA-N",24202745,NA,"PDBC43202","725844","Present",NA,NA
+"43203","N-[3-Methoxy-4-(10H-indolo[3,2-b]quinolin-11-ylamino)phenyl]amidophosphoric acid diphenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-Diphenoxyphosphoryl-1-N-(10H-indolo[3,2-b]quinolin-11-yl)-2-methoxybenzene-1,4-diamine",NA,"COC1=C(C=CC(=C1)NP(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3)NC4=C5C(=NC6=CC=CC=C64)C7=CC=CC=C7N5","KOUXEZNGSRQALN-UHFFFAOYSA-N",396276,NA,"PDBC43203","701973","Present",NA,NA
+"43204","N-[3-Methoxy-4-(3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Methoxy-4-(3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride",NA,"COC1=C(C=CC(=C1)NS(=O)(=O)C)N2CC3=C4C(=CC=C5C4=C2C=CN5)N=C3.Cl","KVFYOEACJXUVRO-UHFFFAOYSA-N",397567,NA,"PDBC43204","705890","Present",NA,NA
+"43205","N-[3-Methoxy-4-(6-methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Methoxy-4-(6-methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride",NA,"CC1=CC2=C3C(=CC=C4C3=C(CN2C5=C(C=C(C=C5)NS(=O)(=O)C)OC)C=N4)N1.Cl","NQCVWCAEHHOHCT-UHFFFAOYSA-N",397571,NA,"PDBC43205","705892","Present",NA,NA
+"43206","N-[3-Methoxy-4-(6H-pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Methoxy-4-(6H-pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide",NA,"COC1=C(C=CC(=C1)NS(=O)(=O)C)NCC2=C3C4=CC=CNC4=CC=C3N=C2","XNYXMCWREARWCR-UHFFFAOYSA-N",398515,NA,"PDBC43206","708426","Present",NA,NA
+"43207","N-[3-Methoxy-4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Methoxy-4-(6H-pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride",NA,"COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C4=CC=NC4=CC=C3NC=C2.Cl","PLPZACPDWATGMX-UHFFFAOYSA-N",397559,NA,"PDBC43207","705886","Present",NA,NA
+"43208","N-[3-Methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide",NA,"CC1=CC=C2C(=CC=C3C2=C(C=N3)CNC4=C(C=C(C=C4)NS(=O)(=O)C)OC)N1","MPAUJBBBVBOTLS-UHFFFAOYSA-N",398517,NA,"PDBC43208","708428","Present",NA,NA
+"43209","N-[3-Methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Methoxy-4-[(7-methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride",NA,"CC1=CC(=C2C3=CC=NC3=CC=C2N1)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC.Cl","MTOLUPWFLJPOND-UHFFFAOYSA-N",397563,NA,"PDBC43209","705888","Present",NA,NA
+"43210","N-[3-Methoxy-4-[[7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-10H-indolo[3,2-b]quinolin-11-yl]amino]phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Methoxy-4-[[7-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-10H-indolo[3,2-b]quinolin-11-yl]amino]phenyl]methanesulfonamide",NA,"COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C(=NC4=CC=CC=C42)C5=C(N3)C=CC(=C5)NC6C(C(C(C(O6)CO)O)O)O","CLJYZHCDEHGXHG-UHFFFAOYSA-N",5465490,NA,"PDBC43210","649677","Present",NA,NA
+"43211","N-[3-Methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylmethanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-Methyl-4-nitro-1-(4-nitrophenyl)sulfonyl-7-phenylmethoxyindol-5-yl]-N-prop-2-enylmethanesulfonamide",NA,"CC1=CN(C2=C(C=C(C(=C12)[N+](=O)[O-])N(CC=C)S(=O)(=O)C)OCC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]","DORAZGZDLINUQM-UHFFFAOYSA-N",396978,NA,"PDBC43211","704215","Present",NA,NA
+"43212","N-[3-[(4-Chloro-3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[(4-Chloro-3-methylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide",NA,"CC1=C(C=CC(=C1)OCC2=NN=C3N2N=C(S3)NC(=O)C4=CC=CC=C4)Cl","RRUXEZBNVXLODK-UHFFFAOYSA-N",400835,NA,"PDBC43212","713341","Present",NA,NA
+"43213","N-[3-[(4-Chlorophenyl)methyl]-1-methyl-5-oxo-1,2,4-triazol-4-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[(4-Chlorophenyl)methyl]-1-methyl-5-oxo-1,2,4-triazol-4-yl]acetamide",NA,"CC(=O)NN1C(=NN(C1=O)C)CC2=CC=C(C=C2)Cl","RXFKIDXZPCDRHM-UHFFFAOYSA-N",384490,NA,"PDBC43213","674323","Present",NA,NA
+"43214","N-[3-[(4-Chlorophenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[(4-Chlorophenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=C(C=C3)Cl","NCKFSHOUHFVUOL-UHFFFAOYSA-N",374264,NA,"PDBC43214","651765","Present",NA,NA
+"43215","N-[3-[(4-Methoxyphenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[(4-Methoxyphenyl)methylamino]-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCC3=CC=C(C=C3)OC","PGONJRZDVLPWET-UHFFFAOYSA-N",374265,NA,"PDBC43215","651766","Present",NA,NA
+"43216","N-[3-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]-4-methoxyphenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]-4-methoxyphenyl]acetamide",NA,"CC(=O)NC1=CC(=C(C=C1)OC)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","ZPHNNBIOKWFMSO-DHRITJCHSA-N",5470512,NA,"PDBC43216","702361","Present",NA,NA
+"43217","N-[3-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide",NA,"CC(=O)NC1=CC(=CC=C1)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","FQZGVUZAIWTZKW-ZMOGYAJESA-N",5470508,NA,"PDBC43217","702357","Present",NA,NA
+"43218","N-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine",NA,"CC(=NOC)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","CIXWBIQSPWKJFF-YDZHTSKRSA-N",9572575,NA,"PDBC43218","720566","Present",NA,NA
+"43219","N-[3-[(Z)-N-Methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[(Z)-N-Methoxy-C-methylcarbonimidoyl]phenyl]-11H-indolo[3,2-c]quinolin-6-amine",NA,"CC(=NOC)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4","QHCLTICCHDALMM-MBTHVWNTSA-N",9572585,NA,"PDBC43219","721041","Present",NA,NA
+"43220","N-[3-[2-(Dimethylamino)ethylamino]-1,4-dioxonaphthalen-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[2-(Dimethylamino)ethylamino]-1,4-dioxonaphthalen-2-yl]acetamide",NA,"CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)NCCN(C)C","HFKQOPNYWJJXKP-UHFFFAOYSA-N",374262,NA,"PDBC43220","651763","Present",NA,NA
+"43221","N-[3-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-1-phenylmethanimine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-1-phenylmethanimine oxide",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=CC3=CC=CC=C3)[O-])C(=O)OC","PYVQNUJFPJYNPU-WGARJPEWSA-N",5467962,NA,"PDBC43221","661053","Present",NA,NA
+"43222","N-[3-[3-(2H-Benzo[g]indazole-3-carbonylamino)propyl-methylamino]propyl]-2H-benzo[g]indazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[3-(2H-Benzo[g]indazole-3-carbonylamino)propyl-methylamino]propyl]-2H-benzo[g]indazole-3-carboxamide",NA,"CN(CCCNC(=O)C1=C2C=CC3=CC=CC=C3C2=NN1)CCCNC(=O)C4=C5C=CC6=CC=CC=C6C5=NN4","DFNQOTXQSPUHRZ-UHFFFAOYSA-N",402072,NA,"PDBC43222","715767","Present",NA,NA
+"43223","N-[3-[3-(Nonanoylamino)propylamino]propyl]nonanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[3-(Nonanoylamino)propylamino]propyl]nonanamide",NA,"CCCCCCCCC(=O)NCCCNCCCNC(=O)CCCCCCCC","KYFZBAKGUDDFHT-UHFFFAOYSA-N",372549,NA,"PDBC43223","647760","Present",NA,NA
+"43224","N-[3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxopropyl]-3,5-dichlorobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)-3-oxopropyl]-3,5-dichlorobenzenesulfonamide",NA,"CCCCCCCCCCCCOC1C2C(OC1C(CC(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)NS(=O)(=O)C6=CC(=CC(=C6)Cl)Cl)OC(O2)(C)C","WJMKNBWTBXKSRL-UHFFFAOYSA-N",45028446,NA,"PDBC43224","742860","Present",NA,NA
+"43225","N-[3-[4-(3-Aminopropyl)piperazin-1-yl]propyl]-11H-indolo[3,2-c]quinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[4-(3-Aminopropyl)piperazin-1-yl]propyl]-11H-indolo[3,2-c]quinolin-6-amine",NA,"C1CN(CCN1CCCN)CCCNC2=NC3=CC=CC=C3C4=C2C5=CC=CC=C5N4","XJCAAZGZKVKEMB-UHFFFAOYSA-N",24205778,NA,"PDBC43225","736613","Present",NA,NA
+"43226","N-[3-[4-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[4-[(Z)-6-(2-Aminophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide",NA,"C1=CC=C2C(=C1)C=C(N2)C(=O)NCCCOC3=CC=C(C=C3)C#CC=CC#CC4=CC=CC=C4N","YHSIXAXEEMBGII-UPHRSURJSA-N",24203495,NA,"PDBC43226","728271","Present",NA,NA
+"43227","N-[3-[4-[(Z)-6-(2-Cyanophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[4-[(Z)-6-(2-Cyanophenyl)hex-3-en-1,5-diynyl]phenoxy]propyl]-1H-indole-2-carboxamide",NA,"C1=CC=C2C(=C1)C=C(N2)C(=O)NCCCOC3=CC=C(C=C3)C#CC=CC#CC4=CC=CC=C4C#N","DIRBKHRIJUCUFK-UPHRSURJSA-N",24203205,NA,"PDBC43227","727185","Present",NA,NA
+"43228","N-[3-[4-[3-(Naphthalene-1-carbonylamino)propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[4-[3-(Naphthalene-1-carbonylamino)propyl]piperazin-1-yl]propyl]naphthalene-1-carboxamide",NA,"C1CN(CCN1CCCNC(=O)C2=CC=CC3=CC=CC=C32)CCCNC(=O)C4=CC=CC5=CC=CC=C54","UHAKJHCEGCIVSA-UHFFFAOYSA-N",364099,NA,"PDBC43228","629740","Present",NA,NA
+"43229","N-[3-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-oxopropyl]-2-(4-benzoylphenyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-oxopropyl]-2-(4-benzoylphenyl)acetamide",NA,"C1CN(CCN1CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)C(=O)CCNC(=O)CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6","IKKWZVWKXUWXRA-UHFFFAOYSA-N",386360,NA,"PDBC43229","678156","Present",NA,NA
+"43230","N-[3-[6-(Cyclopropylamino)purin-9-yl]propyl]hydroxylamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[6-(Cyclopropylamino)purin-9-yl]propyl]hydroxylamine;hydrochloride",NA,"C1CC1NC2=C3C(=NC=N2)N(C=N3)CCCNO.Cl","FHCGMRFDGFNYPL-UHFFFAOYSA-N",396002,NA,"PDBC43230","701173","Present",NA,NA
+"43231","N-[3-[6-Amino-4-(2-chlorophenyl)-5-cyanopyridin-2-yl]phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[6-Amino-4-(2-chlorophenyl)-5-cyanopyridin-2-yl]phenyl]methanesulfonamide",NA,"CS(=O)(=O)NC1=CC=CC(=C1)C2=NC(=C(C(=C2)C3=CC=CC=C3Cl)C#N)N","WFFQHAWEAKUCQQ-UHFFFAOYSA-N",60147748,NA,"PDBC43231","752343","Present",NA,NA
+"43232","N-[3-[6-Amino-5-cyano-4-(2-hydroxy-3-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[6-Amino-5-cyano-4-(2-hydroxy-3-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide",NA,"COC1=CC=CC(=C1O)C2=CC(=NC(=C2C#N)N)C3=CC(=CC=C3)NS(=O)(=O)C","JXCVWNMMMPFAFY-UHFFFAOYSA-N",136040123,NA,"PDBC43232","752346","Present",NA,NA
+"43233","N-[3-[6-Amino-5-cyano-4-(4-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[6-Amino-5-cyano-4-(4-methoxyphenyl)pyridin-2-yl]phenyl]methanesulfonamide",NA,"COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC(=CC=C3)NS(=O)(=O)C","QOMQBMRBVJIEGL-UHFFFAOYSA-N",60147749,NA,"PDBC43233","752344","Present",NA,NA
+"43234","N-[3-[6-Amino-5-cyano-4-[4-(dimethylamino)phenyl]pyridin-2-yl]phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[6-Amino-5-cyano-4-[4-(dimethylamino)phenyl]pyridin-2-yl]phenyl]methanesulfonamide",NA,"CN(C)C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)N)C3=CC(=CC=C3)NS(=O)(=O)C","UKLRGEOCJOIZCS-UHFFFAOYSA-N",60147750,NA,"PDBC43234","752345","Present",NA,NA
+"43235","N-[3-[Bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[Bis(2-hydroxyethyl)amino]propyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCCN(CCO)CCO)NC4=CC=C(C=C4)S(=O)(=O)N","ZXXSWUJLRCEGRM-UHFFFAOYSA-N",384536,NA,"PDBC43235","674507","Present",NA,NA
+"43236","N-[3-[Bis(2-hydroxyethyl)amino]propyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[Bis(2-hydroxyethyl)amino]propyl]-9-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NCCCN(CCO)CCO)C","NQXBFZFDTRTQHF-UHFFFAOYSA-N",384535,NA,"PDBC43236","674506","Present",NA,NA
+"43237","N-[3-[Methyl-[3-[(1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[Methyl-[3-[(1-phenyl-4H-indeno[1,2-c]pyrazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenyl-4H-indeno[1,2-c]pyrazole-3-carboxamide",NA,"CN(CCCNC(=O)C1=NN(C2=C1CC3=CC=CC=C32)C4=CC=CC=C4)CCCNC(=O)C5=NN(C6=C5CC7=CC=CC=C76)C8=CC=CC=C8","LPGLEYFWQGGWEJ-UHFFFAOYSA-N",399550,NA,"PDBC43237","710414","Present",NA,NA
+"43238","N-[3-[Methyl-[3-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[Methyl-[3-[(1-phenylbenzo[g]indazole-3-carbonyl)amino]propyl]amino]propyl]-1-phenylbenzo[g]indazole-3-carboxamide;hydrochloride",NA,"CN(CCCNC(=O)C1=NN(C2=C1C=CC3=CC=CC=C32)C4=CC=CC=C4)CCCNC(=O)C5=NN(C6=C5C=CC7=CC=CC=C76)C8=CC=CC=C8.Cl","MUKTULSCHXIHKE-UHFFFAOYSA-N",402064,NA,"PDBC43238","715763","Present",NA,NA
+"43239","N-[3-[[(5,6-Diphenyl-1,2,4-triazin-3-yl)amino]carbamoyl]-2,4,5-triphenyl-4H-pyrazol-3-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[[(5,6-Diphenyl-1,2,4-triazin-3-yl)amino]carbamoyl]-2,4,5-triphenyl-4H-pyrazol-3-yl]benzamide",NA,"C1=CC=C(C=C1)C2C(=NN(C2(C(=O)NNC3=NC(=C(N=N3)C4=CC=CC=C4)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","SDPCVQJBHCOAHU-UHFFFAOYSA-N",396297,NA,"PDBC43239","702001","Present",NA,NA
+"43240","N-[3-[[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl]oxy]propyl]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-2-carboxamide, N-[3-[[2,3,5,11a-tetrahydro-7-m...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCNC(=O)C4=CC5=CC=CC=C5N4","BKVDSHOSVMYYSK-KRWDZBQOSA-N",396779,NA,"PDBC43240","703558","Present",NA,NA
+"43241","N-[3-[[2-[4-[2-(Difluoromethoxy)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[[2-[4-[2-(difluoromethoxy)ethoxy]anilino]-5-fluoro...",NA,"C=CC(=O)NC1=CC=CC(=C1)NC2=NC(=NC=C2F)NC3=CC=C(C=C3)OCCOC(F)F","XMQWXTXYQDCJRW-UHFFFAOYSA-N",155813727,NA,"PDBC43241","782919","Present",NA,NA
+"43242","N-[3-[[3-Benzoyl-4-(4-tolylacetylamino)phenyl]amino]-3-oxopr opyl]-4-phenylcinnamic acid amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-[[3-benzoyl-4-(4-tolylacetylamino)phenyl]amino]-3-o...",NA,"CC1=CC=C(C=C1)CC(=O)NC2=C(C=C(C=C2)NC(=O)C=CNC(=O)C=CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","LFHSUJWYRQPOAS-HLCHKBGQSA-N",5472582,NA,"PDBC43242","720288","Present",NA,NA
+"43243","N-[3-[[4-[3-(3-Methoxyphenyl)-1-phenylpyrazol-4-yl]pyridin-2-yl]amino]propyl]-4-(trifluoromethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((4-(3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)p...",NA,"COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCCNS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)C5=CC=CC=C5","TVSNECGFTYBNFM-UHFFFAOYSA-N",155816778,NA,"PDBC43243","783554","Present",NA,NA
+"43244","N-[4,5-Dimethoxy-2-(propylcarbamoyl)phenyl]adamantane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4,5-Dimethoxy-2-(propylcarbamoyl)phenyl]adamantane-1-carboxamide",NA,"CCCNC(=O)C1=CC(=C(C=C1NC(=O)C23CC4CC(C2)CC(C4)C3)OC)OC","BYCYKFZHTFPAPA-UHFFFAOYSA-N",401145,NA,"PDBC43244","714091","Present",NA,NA
+"43245","N-[4-(1,3-Benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-Benzothiazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide",NA,"COC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)COC4=CC=C(C=C4)Cl","YAIBRAHRRPSSJE-UHFFFAOYSA-N",54613630,NA,"PDBC43245","750802","Present",NA,NA
+"43246","N-[4-(1,3-Benzothiazol-2-yl)-3-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-Benzothiazol-2-yl)-3-chlorophenyl]-2-(4-chlorophenyl)sulfanylacetamide",NA,"C1=CC=C2C(=C1)N=C(S2)C3=C(C=C(C=C3)NC(=O)CSC4=CC=C(C=C4)Cl)Cl","AXCAOCRLJVKZRE-UHFFFAOYSA-N",22781840,NA,"PDBC43246","750838","Present",NA,NA
+"43247","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CC4=CC=CN4","KUIHLTNGULKXLU-UHFFFAOYSA-N",402462,NA,"PDBC43247","716433","Present",NA,NA
+"43248","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-(furan-2-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-(furan-2-yl)methanimine",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CC4=CC=CO4","HWQBJUBROZSFFQ-UHFFFAOYSA-N",402447,NA,"PDBC43248","716417","Present",NA,NA
+"43249","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=CC4=CC=CS4","LSVWSSMVUGMPMU-UHFFFAOYSA-N",402448,NA,"PDBC43249","716418","Present",NA,NA
+"43250","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-(1,5-diphenylimidazol-2-yl)sulfanylacetamide",NA,"C1=CC=C(C=C1)C2=CN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5","FRAJCJVTYFAHQQ-UHFFFAOYSA-N",60147874,NA,"PDBC43250","752761","Present",NA,NA
+"43251","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-(2,6-dichloroanilino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(2,6-dichlorophen...",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CNC4=C(C=CC=C4Cl)Cl","YJTFOJXCVUKZQM-UHFFFAOYSA-N",155811604,NA,"PDBC43251","780168","Present",NA,NA
+"43252","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-2-(4-chloroanilino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-benzothiazol-2-yl)phenyl]-2-[(4-chlorophenyl)a...",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CNC4=CC=C(C=C4)Cl","GEOIPJJPOXRWSN-UHFFFAOYSA-N",155808484,NA,"PDBC43252","780167","Present",NA,NA
+"43253","N-[4-(1,3-Benzothiazol-2-yl)phenyl]-N-hydroxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-Benzothiazol-2-yl)phenyl]-N-hydroxyacetamide",NA,"CC(=O)N(C1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)O","PCSKRYKXMOEAFH-UHFFFAOYSA-N",395432,NA,"PDBC43253","699970","Present",NA,NA
+"43254","N-[4-(1,3-Benzothiazol-2-yl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000040",NA,"CC(=O)NC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2","SMYRLHVRGXBMTQ-UHFFFAOYSA-N",233871,NA,"PDBC43254","33006","Present",NA,NA
+"43255","N-[4-(1,3-Benzoxazol-2-yl)phenyl]-1-(furan-2-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-Benzoxazol-2-yl)phenyl]-1-(furan-2-yl)methanimine",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)N=CC4=CC=CO4","OWLSUYDSTXAEEJ-UHFFFAOYSA-N",402459,NA,"PDBC43255","716430","Present",NA,NA
+"43256","N-[4-(1,3-Benzoxazol-2-yl)phenyl]-N'-(4-chlorophenyl)imidofo rmamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1,3-benzoxazol-2-yl)phenyl]-N'-(4-chlorophenyl)imi...",NA,"C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)NC=NC4=CC=C(C=C4)Cl","ADLRCJKUDSIDCU-UHFFFAOYSA-N",24203813,NA,"PDBC43256","729672","Present",NA,NA
+"43257","N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(1H-pyrrol-2-yl)methanimine",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=CC4=CC=CN4","DSHQQZZOLPORBA-UHFFFAOYSA-N",402461,NA,"PDBC43257","716432","Present",NA,NA
+"43258","N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(3,4-dimethoxyphenyl)methanimine",NA,"COC1=C(C=C(C=C1)C=NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3)OC","KAXYLEJZLZXRAM-UHFFFAOYSA-N",402060,NA,"PDBC43258","715756","Present",NA,NA
+"43259","N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(furan-2-yl)methanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-(furan-2-yl)methanimine",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=CC4=CC=CO4","JTMONLSDLSTJGG-UHFFFAOYSA-N",402460,NA,"PDBC43259","716431","Present",NA,NA
+"43260","N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1H-Benzimidazol-2-yl)phenyl]-1-thiophen-2-ylmethanimine",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)N=CC4=CC=CS4","AQFKJNNGIKHJDZ-UHFFFAOYSA-N",402058,NA,"PDBC43260","715754","Present",NA,NA
+"43261","N-[4-(1H-Benzimidazol-2-yl)phenyl]-4-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(1H-Benzoimidazol-2-yl)-phenyl]-[4-(4-fluoro-phenyl)-...",NA,"C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C6=CC=C(C=C6)F","PJQUZTXDFLIJNA-UHFFFAOYSA-N",127044246,NA,"PDBC43261","787250","Present",NA,NA
+"43262","N-[4-(1H-Benzimidazol-2-yl)phenyl]-4-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(1H-Benzoimidazol-2-yl)-phenyl]-[4-(4-methoxy-phenyl)...",NA,"COC1=CC=C(C=C1)C2=NC(=NC(=N2)N3CCOCC3)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","KNJLQVAZXLSHMT-UHFFFAOYSA-N",155807562,NA,"PDBC43262","787249","Present",NA,NA
+"43263","N-[4-(1H-Benzimidazol-2-yl)phenyl]-6-pyrrolidin-1-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(1H-Benzoimidazol-2-yl)-phenyl]-(6-pyrrolidin-1-yl-1H...",NA,"C1CCN(C1)C2=NC3=C(C=NN3)C(=N2)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5","YLMHQPLSGVCFCO-UHFFFAOYSA-N",155810990,NA,"PDBC43263","788161","Present",NA,NA
+"43264","N-[4-(1H-Benzo[d]imidazol-2-yl)phenyl]-N'-(4-chlorophenyl)im idoformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(1H-benzo[d]imidazol-2-yl)phenyl]-N'-(4-chloropheny...",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC=C(C=C3)NC=NC4=CC=C(C=C4)Cl","DGZSCFNGLCMPPI-UHFFFAOYSA-N",24203851,NA,"PDBC43264","729792","Present",NA,NA
+"43265","N-[4-(2,4-Dinitrophenoxy)phenyl]-2,4-dinitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, N-[4-(2,4-dinitrophenoxy)phenyl]-2,4-dinitro-",NA,"C1=CC(=CC=C1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","CMNWVSMJEYBPCQ-UHFFFAOYSA-N",294848,NA,"PDBC43265","163910","Present",NA,NA
+"43266","N-[4-(2-Amino-1,3-thiazol-4-yl)phenyl]-4-chloro-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(2-Amino-1,3-thiazol-4-yl)phenyl]-4-chloro-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)Cl","NZAIUHBCINHWME-UHFFFAOYSA-N",402380,NA,"PDBC43266","716292","Present",NA,NA
+"43267","N-[4-(2-Aminoethylcarbamoyl)phenyl]-3,5-ditert-butylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((2-aminoethyl)carbamoyl)phenyl)-3,5-di-tert-butylb...",NA,"CC(C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NCCN)C(C)(C)C","IKCHUFPAFZFUST-UHFFFAOYSA-N",134153657,NA,"PDBC43267","783187","Present",NA,NA
+"43268","N-[4-(2-Benzoyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(2-Benzoyl-3-phenyl-3,4-dihydropyrazol-5-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","CHEUPGZLJYVLCW-UHFFFAOYSA-N",402370,NA,"PDBC43268","716282","Present",NA,NA
+"43269","N-[4-(2-Benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(2-Benzoyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CS4)C(=O)C5=CC=CC=C5","VIKOCWSZFQYGNC-UHFFFAOYSA-N",402372,NA,"PDBC43269","716284","Present",NA,NA
+"43270","N-[4-(2-Chloro-benzylidene)-1-(2,4-dioxo-chroman-3-ylidenemethyl)-3-methyl-5-oxo-imidazolidin-2-ylidene]-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(4Z)-4-[(2-Chlorophenyl)methylidene]-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-2-ylidene]acetamide",NA,"CC(=O)N=C1N(C(=CC2=CC=CC=C2Cl)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O)C","JPGQVJYUUXYLIE-DSSLYWTHSA-N",9574811,NA,"PDBC43270","658494","Present",NA,NA
+"43271","N-[4-(2-Piperidinoethoxy)phenyl]-3-amino-1,8-naphthalimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(2-Piperidinoethoxy)phenyl]-3-amino-1,8-naphthalimide",NA,"C1CCN(CC1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)N","HKDJHWLQLZKDKT-UHFFFAOYSA-N",388037,NA,"PDBC43271","682468","Present",NA,NA
+"43272","N-[4-(2-Pyrrolidinoethoxy)phenyl]-3-amino-1,8-naphthalimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(2-Pyrrolidinoethoxy)phenyl]-3-amino-1,8- naphthali...",NA,"C1CCN(C1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC5=CC(=CC(=C54)C3=O)N","AHMXYSXWUPEGAH-UHFFFAOYSA-N",388036,NA,"PDBC43272","682467","Present",NA,NA
+"43273","N-[4-(3,7,12-Triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(3,7,12-Triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride",NA,"CS(=O)(=O)NC1=CC=C(C=C1)N2CC3=C4C(=CC=C5C4=C2C=CN5)N=C3.Cl","HKXWSIHMHSJPFV-UHFFFAOYSA-N",397565,NA,"PDBC43273","705889","Present",NA,NA
+"43274","N-[4-(3-Benzamidopropylamino)butyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Not Available",NA,"C1=CC=C(C=C1)C(=O)NCCCCNCCCNC(=O)C2=CC=CC=C2","LMCPFFPDMJWFKE-UHFFFAOYSA-N",389617,NA,"PDBC43274","685963","Present",NA,NA
+"43275","N-[4-(4-Aminophenyl)-1,3-thiazol-2-yl]-4-chloro-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(4-Aminophenyl)-1,3-thiazol-2-yl]-4-chloro-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N)Cl","LZRDVOLZHYSDQR-UHFFFAOYSA-N",402729,NA,"PDBC43275","716923","Present",NA,NA
+"43276","N-[4-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]-4-(4-morpholin-4-yl)-3-trifluoromethylbenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(4-Benzoylamino-pyrrolo[3,2-c]pyridin-1-yl)-phenyl]...",NA,"C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6)C(F)(F)F","PGEQQHFHAQPHLF-UHFFFAOYSA-N",53361478,NA,"PDBC43276","752892","Present",NA,NA
+"43277","N-[4-(4-Bromophenyl)-3-(2,5-dimethylphenyl)-1,3-thiazol-2-ylidene]-2-fluorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(4-Bromophenyl)-3-(2,5-dimethylphenyl)-1,3-thiazol-2-ylidene]-2-fluorobenzamide",NA,"CC1=CC(=C(C=C1)C)N2C(=CSC2=NC(=O)C3=CC=CC=C3F)C4=CC=C(C=C4)Br","GVWMBCLHJIYYIV-UHFFFAOYSA-N",287145,NA,"PDBC43277","146557","Present",NA,NA
+"43278","N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-2-[1-(4-methoxyanilino)-4,5-dimethylimidazol-2-yl]sulfanylacetamide",NA,"CC1=C(N(C(=N1)SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)OC)C","XYAISKQFVIDQGK-UHFFFAOYSA-N",54613443,NA,"PDBC43278","751271","Present",NA,NA
+"43279","N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3,4,5-trihydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-3,4,5-trihydroxy-be...",NA,"C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC(=C(C(=C3)O)O)O)Cl","OXRFMHYWNDKUGV-UHFFFAOYSA-N",155806570,NA,"PDBC43279","773206","Present",NA,NA
+"43280","N-[4-(4-Chlorophenyl)-1,3-thiazol-2-yl]-3,4-dihydroxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(4-Chloro-phenyl)-thiazol-2-yl]-3,4-dihydroxy-benza...",NA,"C1=CC(=CC=C1C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)O)O)Cl","BKNXROVBAOOXIG-UHFFFAOYSA-N",155809711,NA,"PDBC43280","773203","Present",NA,NA
+"43281","N-[4-(4-Ethylpiperazin-1-yl)phenyl]-3-methyltriazolo[4,5-f]quinolin-9-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(4-Ethylpiperazin-1-yl)phenyl]-3-methyltriazolo[4,5-f]quinolin-9-amine;hydrochloride",NA,"CCN1CCN(CC1)C2=CC=C(C=C2)NC3=C4C(=NC=C3)C=CC5=C4N=NN5C.Cl","MEDOVLWSMQPQQJ-UHFFFAOYSA-N",387991,NA,"PDBC43281","682356","Present",NA,NA
+"43282","N-[4-(4-Fluorophenoxy)-3-pyridylsulfonyl]-N'-(3,4-dichlorophenyl)urea monoethanolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(4-Fluorophenoxy)-3-pyridylsulfonyl]-N'-(3,4-dichlo...",NA,"C1=CC(=CC=C1OC2=C(C=NC=C2)S(=O)(=O)NC(=O)NC3=CC(=C(C=C3)Cl)Cl)F","ZYARUYWKWCMFDG-UHFFFAOYSA-N",45028897,NA,"PDBC43282","744703","Present",NA,NA
+"43283","N-[4-(5-Amino-6,8-difluoro-7-methyl-4-oxochromen-2-yl)-2-fluorophenyl]-2-(dimethylamino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1-Benzopyran-4-one, 5-amino-6,8-difluoro-7-methyl-2-[...",NA,"CC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)NC(=O)CN(C)C)F)N)F","IJPDXUWFXMQOGZ-UHFFFAOYSA-N",397281,NA,"PDBC43283","704823","Present",NA,NA
+"43284","N-[4-(6-Methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(6-Methyl-3,7,12-triazatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),4(15),5,8,10,12-hexaen-3-yl)phenyl]methanesulfonamide;hydrochloride",NA,"CC1=CC2=C3C(=CC=C4C3=C(CN2C5=CC=C(C=C5)NS(=O)(=O)C)C=N4)N1.Cl","WPUKINWYCJBAAJ-UHFFFAOYSA-N",397569,NA,"PDBC43284","705891","Present",NA,NA
+"43285","N-[4-(6H-Pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(6H-Pyrrolo[3,2-f]quinolin-1-ylmethylamino)phenyl]methanesulfonamide",NA,"CS(=O)(=O)NC1=CC=C(C=C1)NCC2=C3C4=CC=CNC4=CC=C3N=C2","UYTWCIBLQSNTFR-UHFFFAOYSA-N",398514,NA,"PDBC43285","708425","Present",NA,NA
+"43286","N-[4-(6H-Pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(6H-Pyrrolo[3,2-f]quinolin-9-ylamino)phenyl]methanesulfonamide;hydrochloride",NA,"CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C4=CC=NC4=CC=C3NC=C2.Cl","XYZSIZKUYHPFFV-UHFFFAOYSA-N",397557,NA,"PDBC43286","705885","Present",NA,NA
+"43287","N-[4-(9-Acridinylmethyl)-3-methoxyphenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758423",NA,"COC1=C(C=CC(=C1)NS(=O)(=O)C)CC2=C3C=CC=CC3=NC4=CC=CC=C42","JRNUZHHDXNSOMO-UHFFFAOYSA-N",3926765,NA,"PDBC43287","758423","Present",NA,NA
+"43288","N-[4-(Acetylsulfamoyl)phenyl]acridine-9-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Acetylsulfamoyl)phenyl]acridine-9-carboxamide",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42","GUVNXFAPTYIDAJ-UHFFFAOYSA-N",392367,NA,"PDBC43288","692651","Present",NA,NA
+"43289","N-[4-(Cycloheptylsulfamoyl)phenyl]-2-(4-fluorophenyl)sulfonyl-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(4-fluorophenyl)sulfonyl]-N-[4-(cycloheptylsulfamoyl)...",NA,"C1CCCC(CC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)F","FTXVHRXCHNRRMP-UHFFFAOYSA-N",155813253,NA,"PDBC43289","791540","Present",NA,NA
+"43290","N-[4-(Diaminomethylideneamino)sulfonylphenyl]-10-methylacridin-10-ium-9-carboxamide;methyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Diaminomethylideneamino)sulfonylphenyl]-10-methylacridin-10-ium-9-carboxamide;methyl sulfate",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N.COS(=O)(=O)[O-]","ABHYVPGDNQBBSK-UHFFFAOYSA-N",393810,NA,"PDBC43290","696573","Present",NA,NA
+"43291","N-[4-(Diaminomethylideneamino)sulfonylphenyl]acridine-9-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Diaminomethylideneamino)sulfonylphenyl]acridine-9-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N","XVUBFZUVJSLVNH-UHFFFAOYSA-N",392365,NA,"PDBC43291","692649","Present",NA,NA
+"43292","N-[4-(Diethylaminomethyl)phenyl]acridin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Diethylaminomethyl)phenyl]acridin-9-amine",NA,"CCN(CC)CC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42","GCMNLVJDDKCWEX-UHFFFAOYSA-N",387995,NA,"PDBC43292","682358","Present",NA,NA
+"43293","N-[4-(Dimethylaminodiazenyl)phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Dimethylaminodiazenylphenyl)propanamide",NA,"CCC(=O)NC1=CC=C(C=C1)N=NN(C)C","SFVATGHXWOFZOT-UHFFFAOYSA-N",314336,NA,"PDBC43293","231660","Present",NA,NA
+"43294","N-[4-(Hydroxymethyl)phenyl]-4-oxochromene-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Hydroxymethyl)phenyl]-4-oxochromene-3-carboxamide",NA,"C1=CC=C2C(=C1)C(=O)C(=CO2)C(=O)NC3=CC=C(C=C3)CO","CIBJZNSYCWUGCL-UHFFFAOYSA-N",45028031,NA,"PDBC43294","740801","Present",NA,NA
+"43295","N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]acridine-9-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-(Pyrimidin-2-ylsulfamoyl)phenyl]acridine-9-carboxamide",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5","AWCZSYCCPWIDID-UHFFFAOYSA-N",392363,NA,"PDBC43295","692647","Present",NA,NA
+"43296","N-[4-(Quinoxalin-2-ylsulfamoyl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7ECX3219Y7",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2","HQOJTUJGZNGEJL-UHFFFAOYSA-N",95887,NA,"PDBC43296","41806","Present",NA,NA
+"43297","N-[4-({[Amino(imino)methyl]amino}sulfonyl)phenyl]-9-[(4-{[(5-methylisoxazol-3-yl)amino]sulfonyl}phenyl)amino]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acridinecarboxamide, N-[4-[[(aminoiminomethyl)amino] s...",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)NC6=CC=C(C=C6)S(=O)(=O)N=C(N)N","JDVMRHDXAJDVGX-UHFFFAOYSA-N",365411,NA,"PDBC43297","633031","Present",NA,NA
+"43298","N-[4-Amino-1-(2-chloroethyl)-2-naphthyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-2-carboxamide, N-[4-amino-1-(2-chloroethyl)-2-...",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)NC3=C(C4=CC=CC=C4C(=C3)N)CCCl)OC)OC","MNFPZBOQEWMBOK-UHFFFAOYSA-N",9825161,NA,"PDBC43298","716970","Present",NA,NA
+"43299","N-[4-Amino-6-(3,5,5-trimethyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S)N","HVBITWNOVZCXAS-UHFFFAOYSA-N",378489,NA,"PDBC43299","661089","Present",NA,NA
+"43300","N-[4-Amino-6-(5-methyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Amino-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1CC=NN1C2=NC(=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)S)N","TVHNFOKNVLGAGO-UHFFFAOYSA-N",378490,NA,"PDBC43300","661090","Present",NA,NA
+"43301","N-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-4-chloro-2-mercapto-5-methylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NC(=NC(=N2)N)N(C)C","IKFJHRYQVHARDM-UHFFFAOYSA-N",378485,NA,"PDBC43301","661085","Present",NA,NA
+"43302","N-[4-Bromo-2-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Bromo-2-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]phenyl]thiophene-2-carboxamide",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=O)C2=C(C=CC(=C2)Br)NC(=O)C3=CC=CS3","ZORGSTDLFSPCIU-UHFFFAOYSA-N",403461,NA,"PDBC43302","718358","Present",NA,NA
+"43303","N-[4-Chloro-2-(4-chlorobenzoylthio)-5-methylphenylsulfonyl]-N,N-dimethylformamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-chloro-2-(4-chlorobenzoylthio)-5-methylphenylsulfon...",NA,"CC1=CC(=C(C=C1Cl)SC(=O)C2=CC=C(C=C2)Cl)S(=O)(=O)N=CN(C)C","DMFLSPVNJARBAQ-KEBDBYFISA-N",24204342,NA,"PDBC43303","731403","Present",NA,NA
+"43304","N-[4-Chloro-2-(ethylcarbamoyl)phenyl]adamantane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Chloro-2-(ethylcarbamoyl)phenyl]adamantane-1-carboxamide",NA,"CCNC(=O)C1=C(C=CC(=C1)Cl)NC(=O)C23CC4CC(C2)CC(C4)C3","ORRDAFUMEGFPHE-UHFFFAOYSA-N",401146,NA,"PDBC43304","714092","Present",NA,NA
+"43305","N-[4-Chloro-2-(hydrazinecarbonyl)phenyl]adamantane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Chloro-2-(hydrazinecarbonyl)phenyl]adamantane-1-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NN","RYRSWANLNKLGDO-UHFFFAOYSA-N",401164,NA,"PDBC43305","714328","Present",NA,NA
+"43306","N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-(4-hydroxy-2-oxo-chromen-3-yl)-2-oxo-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Chloro-3-(trifluoromethyl)phenyl]-2-(4-hydroxy-2-oxo-chromen-3-yl)-2-oxo-acetamide",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=O)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)O","HRKSAUQKRCHYCA-UHFFFAOYSA-N",54676285,NA,"PDBC43306","649550","Present",NA,NA
+"43307","N-[4-Chloro-3-(trifluoromethyl)phenyl]-5-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-chloro-3-(trifluoromethyl)phenyl)-5-(3-(4-methylpip...",NA,"CN1CCN(CC1)CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=C(C=C4)Cl)C(F)(F)F","KWEHZNNQKZTKJN-UHFFFAOYSA-N",155805723,NA,"PDBC43307","780452","Present",NA,NA
+"43308","N-[4-Chloro-3-(trifluoromethyl)phenyl]-6-(3-morpholin-4-ylpropoxy)quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-chloro-3-(trifluoromethyl)phenyl)-6-(3-morpholinopr...",NA,"C1COCCN1CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=C(C=C4)Cl)C(F)(F)F","YYGAQMQOQYDGBQ-UHFFFAOYSA-N",155805912,NA,"PDBC43308","784157","Present",NA,NA
+"43309","N-[4-Chloro-3-(trifluoromethyl)phenyl]-6-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-chloro-3-(trifluoromethyl)phenyl)-6-(3-(4-methylpip...",NA,"CN1CCN(CC1)CCCOC2=CC3=C(C=C2)N=C(C=C3)NC4=CC(=C(C=C4)Cl)C(F)(F)F","OOJUTJKINUIJLP-UHFFFAOYSA-N",155810431,NA,"PDBC43309","783452","Present",NA,NA
+"43310","N-[4-Chloro-5-(2-chloroethyl)-6-methylpyrimidin-2-yl]-1H-benzimidazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benzimidazol-2-amine, N-[4-chloro-5-(2-chloroethyl)-6-methyl-2-pyrimidinyl]-",NA,"CC1=C(C(=NC(=N1)NC2=NC3=CC=CC=C3N2)Cl)CCCl","QXLKYOMBVBDREG-UHFFFAOYSA-N",387152,NA,"PDBC43310","680666","Present",NA,NA
+"43311","N-[4-Chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidin-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidin-2-yl]acetamide",NA,"CC(=O)NC1=NC(=CC(=N1)Cl)NCC2(CCC2)CO","CQCQQYVCMCLSOO-UHFFFAOYSA-N",385265,NA,"PDBC43311","676376","Present",NA,NA
+"43312","N-[4-Cloro-3-(T-butyloxome)phenyl-2-methyl-3-furan-carbothiamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Furancarbothioamide, N-[4-chloro-3-[[(1,1-dimethyletho...",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)(C)C","PLGIIOKXCKDKEU-VXLYETTFSA-N",9554696,NA,"PDBC43312","645129","Present",NA,NA
+"43313","N-[4-Hydroxy-3-(8-quinolinylthio)-1-naphthyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-hydroxy-3-(8-quinolinylthio)-1-naphthyl]benzenesulf...",NA,"C1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)SC4=CC=CC5=C4N=CC=C5","PQIKPRFFZWZBIW-UHFFFAOYSA-N",1296368,NA,"PDBC43313","780573","Present",NA,NA
+"43314","N-[4-Methoxy-3-(5-oxopyrrolidin-2-yl)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Methoxy-3-(5-oxopyrrolidin-2-yl)phenyl]acetamide",NA,"CC(=O)NC1=CC(=C(C=C1)OC)C2CCC(=O)N2","BXTUHIAWFVSARY-UHFFFAOYSA-N",389195,NA,"PDBC43314","684879","Present",NA,NA
+"43315","N-[4-Methyl-2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]adamantane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Methyl-2-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]adamantane-1-carboxamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C2=C(C=CC(=C2)C)NC(=O)C34CC5CC(C3)CC(C5)C4","INSNIWQLIFYISU-UHFFFAOYSA-N",403460,NA,"PDBC43315","718357","Present",NA,NA
+"43316","N-[4-Oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Oxo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]pyridine-4-carboxamide",NA,"C1C(=O)N(C(S1)C2=CC=C(C=C2)C(F)(F)F)NC(=O)C3=CC=NC=C3","HHXDVMGZRNLKRJ-UHFFFAOYSA-N",361551,NA,"PDBC43316","624732","Present",NA,NA
+"43317","N-[4-Pyrrolizino-6-chloro-7-(benzylamino)pteridine-2-yl]-1,2-ethanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-(2-Aminoethyl)-7-N-benzyl-6-chloro-4-pyrrolidin-1-ylpteridine-2,7-diamine",NA,"C1CCN(C1)C2=NC(=NC3=C2N=C(C(=N3)NCC4=CC=CC=C4)Cl)NCCN","GSQNRAJKXMJSAD-UHFFFAOYSA-N",403193,NA,"PDBC43317","717847","Present",NA,NA
+"43318","N-[4-Tert-butyl-1-[(1E,3Z)-hepta-1,3-dienyl]cyclohexyl]-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Tert-butyl-1-[(1E,3Z)-hepta-1,3-dienyl]cyclohexyl]-4-methylbenzenesulfonamide",NA,"CCCC=CC=CC1(CCC(CC1)C(C)(C)C)NS(=O)(=O)C2=CC=C(C=C2)C","VUDALRJANQXYOU-ABHVWSBLSA-N",5386821,NA,"PDBC43318","618220","Present",NA,NA
+"43319","N-[4-Tert-butyl-1-[(E)-prop-1-enyl]cyclohexyl]-4-methylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-Tert-butyl-1-[(E)-prop-1-enyl]cyclohexyl]-4-methylbenzenesulfonamide",NA,"CC=CC1(CCC(CC1)C(C)(C)C)NS(=O)(=O)C2=CC=C(C=C2)C","KLSAQKVKVFVPTH-AWNIVKPZSA-N",5386820,NA,"PDBC43319","618219","Present",NA,NA
+"43320","N-[4-[(1-Methyl-3,6-dihydro-2H-pyridin-4-yl)oxy]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(1-Methyl-3,6-dihydro-2H-pyridin-4-yl)oxy]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)OC2=CCN(CC2)C","RIPDDGOQWVEJPO-UHFFFAOYSA-N",388479,NA,"PDBC43320","683434","Present",NA,NA
+"43321","N-[4-[(2,2,2-Trifluoroacetyl)amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(2,2,2-Trifluoroacetyl)amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","RYICIJADPQFEPF-UHFFFAOYSA-N",389624,NA,"PDBC43321","685970","Present",NA,NA
+"43322","N-[4-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butyl]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butyl]-1H-indole-2-carboxamide",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCNC(=O)C4=CC5=CC=CC=C5N4","BQFHQEUKXWUMSR-UHFFFAOYSA-N",20826874,NA,"PDBC43322","726365","Present",NA,NA
+"43323","N-[4-[(2-Phenylpyrazol-3-yl)sulfamoyl]phenyl]acridine-9-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(2-Phenylpyrazol-3-yl)sulfamoyl]phenyl]acridine-9-carboxamide",NA,"C1=CC=C(C=C1)N2C(=CC=N2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=C5C=CC=CC5=NC6=CC=CC=C64","FCPSWSQUMZFULI-UHFFFAOYSA-N",392364,NA,"PDBC43323","692648","Present",NA,NA
+"43324","N-[4-[(3-Aminoacridin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonamide, N-[4-[(3-amino-9-acridinyl)amino]phe...",NA,"CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)N.Cl","OWGULQJEIFFGLM-UHFFFAOYSA-N",12999264,NA,"PDBC43324","128579","Present",NA,NA
+"43325","N-[4-[(3-Chloroacridin-9-yl)amino]phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonamide, N-[4-[(3-chloro-9-acridinyl)amino]ph...",NA,"CS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl.Cl","NXUYLJNWCVNYLN-UHFFFAOYSA-N",12999171,NA,"PDBC43325","143102","Present",NA,NA
+"43326","N-[4-[(3-Methoxyacridin-9-yl)amino]phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonamide, N-[4-[(3-methoxy-9-acridinyl)amino]p...",NA,"COC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)NS(=O)(=O)C.Cl","IHPUDZSNMQRJEV-UHFFFAOYSA-N",12999166,NA,"PDBC43326","143103","Present",NA,NA
+"43327","N-[4-[(3-Methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(3-Methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)NC2=CC(=O)N(C(=O)N2)C","USFLFISPBVPQTI-UHFFFAOYSA-N",388641,NA,"PDBC43327","683653","Present",NA,NA
+"43328","N-[4-[(3-Phenoxyphenyl)methylideneamino]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(3-Phenoxyphenyl)methylideneamino]phenyl]propanamide",NA,"CCC(=O)NC1=CC=C(C=C1)N=CC2=CC(=CC=C2)OC3=CC=CC=C3","CELNRXFEMHBIBI-UHFFFAOYSA-N",402214,NA,"PDBC43328","716105","Present",NA,NA
+"43329","N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-2-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C5=CC=CC=C5N=C4C=C3)NC6=CC=C(C=C6)S(=O)(=O)N)C","MAPBZANUHODCPE-UHFFFAOYSA-N",385758,NA,"PDBC43329","677152","Present",NA,NA
+"43330","N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-9-(4-sulfamoylanilino)acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=C(C5=CC=CC=C5N=C43)NC6=CC=C(C=C6)S(=O)(=O)N)C","WLWWWHBOFNEXAG-UHFFFAOYSA-N",365412,NA,"PDBC43330","633032","Present",NA,NA
+"43331","N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-4-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC4=CC5=CC=CC=C5N=C43)C","BFCCRFUBHHOGDU-UHFFFAOYSA-N",370669,NA,"PDBC43331","644045","Present",NA,NA
+"43332","N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-9-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4,6-Dimethylpyrimidin-2-yl)sulfamoyl]phenyl]acridine-9-carboxamide",NA,"CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=C4C=CC=CC4=NC5=CC=CC=C53)C","KSRNAWGBIYPGAS-UHFFFAOYSA-N",392366,NA,"PDBC43332","692650","Present",NA,NA
+"43333","N-[4-[(4-Chlorophenyl)sulfonylamino]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4-Chlorophenyl)sulfonylamino]phenyl]propanamide",NA,"CCC(=O)NC1=CC=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)Cl","HUZGZQTUTCUPSO-UHFFFAOYSA-N",402222,NA,"PDBC43333","716113","Present",NA,NA
+"43334","N-[4-[(4-Fluorophenyl)amino]-6-morpholino-1,3,5-triazine-2-yl]-1-benzyl-2-methyl-1H-benzoimidazole-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(1-benzyl-2-methyl-iH-benzimidazol-5-yl)-N'-(4-fluorop...",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)N6CCOCC6","ZHMACUZQGCCXKJ-UHFFFAOYSA-N",122219960,NA,"PDBC43334","771656","Present",NA,NA
+"43335","N-[4-[(4-Methylpiperazin-1-yl)methyl]phenyl]-4-(quinazolin-4-ylamino)-1H-pyrazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(quinazol...",NA,"CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=NC=NC5=CC=CC=C54","WSRSUSKJBOADHJ-UHFFFAOYSA-N",137638801,NA,"PDBC43335","781147","Present",NA,NA
+"43336","N-[4-[(4-Methylpiperazin-1-yl)methyl]phenyl]-4-(thieno[3,2-b]pyridin-7-ylamino)-1H-pyrazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-((4-methylpiperazin-1-yl)methyl)phenyl)-4-(thieno[3...",NA,"CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C(=NC=C4)C=CS5","KGPALMZNPQDLHX-UHFFFAOYSA-N",155810317,NA,"PDBC43336","781144","Present",NA,NA
+"43337","N-[4-[(4Z)-4-[(4-Hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4Z)-4-[(4-Hydroxy-3-methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide",NA,"CCC(=O)NC1=CC=C(C=C1)N2C(=NC(=CC3=CC(=C(C=C3)O)OC)C2=O)C4=CC=CC=C4","MNLQWDMBDYUKBZ-QNGOZBTKSA-N",5472036,NA,"PDBC43337","716117","Present",NA,NA
+"43338","N-[4-[(4Z)-4-[(4-Methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(4Z)-4-[(4-Methoxyphenyl)methylidene]-5-oxo-2-phenylimidazol-1-yl]phenyl]propanamide",NA,"CCC(=O)NC1=CC=C(C=C1)N2C(=NC(=CC3=CC=C(C=C3)OC)C2=O)C4=CC=CC=C4","JPISZJHQSORFKF-QJOMJCCJSA-N",24204102,NA,"PDBC43338","730601","Present",NA,NA
+"43339","N-[4-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)SC2=NN=C(S2)NC(=O)C","VIKCQGOAXWMTLB-UHFFFAOYSA-N",375373,NA,"PDBC43339","655041","Present",NA,NA
+"43340","N-[4-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfonyl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=NN=C(S2)NC(=O)C","YSSVVLOGRXTDDC-UHFFFAOYSA-N",375369,NA,"PDBC43340","655035","Present",NA,NA
+"43341","N-[4-[(5-Methyl-3-nitroacridin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonamide, N-[4-[(5-methyl-3-nitro-9-acridinyl)...",NA,"CC1=C2C(=CC=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NC4=CC=C(C=C4)NS(=O)(=O)C.Cl","JBYWNNRDPKNTBT-UHFFFAOYSA-N",12323850,NA,"PDBC43341","135757","Present",NA,NA
+"43342","N-[4-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(5E)-5-Benzylidene-4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)N2C(SC(=CC3=CC=CC=C3)C2=O)C4=CC(=C(C(=C4)OC)OC)OC","RLLSJXPGZOZYFN-ZVHZXABRSA-N",5470504,NA,"PDBC43342","702353","Present",NA,NA
+"43343","N-[4-[(7-Methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(7-Methyl-6H-pyrrolo[3,2-f]quinolin-1-yl)methylamino]phenyl]methanesulfonamide",NA,"CC1=CC=C2C(=CC=C3C2=C(C=N3)CNC4=CC=C(C=C4)NS(=O)(=O)C)N1","KRBZPZFZXHPCKK-UHFFFAOYSA-N",398516,NA,"PDBC43343","708427","Present",NA,NA
+"43344","N-[4-[(7-Methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(7-Methyl-6H-pyrrolo[3,2-f]quinolin-9-yl)amino]phenyl]methanesulfonamide;hydrochloride",NA,"CC1=CC(=C2C3=CC=NC3=CC=C2N1)NC4=CC=C(C=C4)NS(=O)(=O)C.Cl","SSMFDFPFVQHYMB-UHFFFAOYSA-N",397561,NA,"PDBC43344","705887","Present",NA,NA
+"43345","N-[4-[(E)-(3-Methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(E)-(3-Methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)amino]sulfonylphenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N=C2N(N=C(S2)S(=O)(=O)N)C","COYOSRWVLQSZNN-XNTDXEJSSA-N",5965597,NA,"PDBC43345","700713","Present",NA,NA
+"43346","N-[4-[(E)-2-Nitroethenyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bio7C8",NA,"CC(=O)NC1=CC=C(C=C1)C=C[N+](=O)[O-]","BWLIIZFNXSJVLW-VOTSOKGWSA-N",5381768,NA,"PDBC43346","122822","Present",NA,NA
+"43347","N-[4-[(E)-3-[2-[5-[(E)-3-(4-Acetamidophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(E)-3-[2-[5-[(E)-3-(4-Acetamidophenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]-3-oxoprop-1-enyl]phenyl]acetamide",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)C=CC3=CC=C(C=C3)NC(=O)C)C)C(=O)C=CC4=CC=C(C=C4)NC(=O)C","CQHQMBXELPQCLB-KAVGSWPWSA-N",5923475,NA,"PDBC43347","640568","Present",NA,NA
+"43348","N-[4-[(E)-3-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(E)-3-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C=CC(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl","XJQGAAFLJAOXBC-DHZHZOJOSA-N",5470358,NA,"PDBC43348","700013","Present",NA,NA
+"43349","N-[4-[(E)-Dimethylaminomethylideneamino]sulfonylphenyl]-2-(2-methoxyphenyl)imino-1,3-thiazolidine-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(E)-Dimethylaminomethylideneamino]sulfonylphenyl]-2-(2-methoxyphenyl)imino-1,3-thiazolidine-3-carbothioamide",NA,"CN(C)C=NS(=O)(=O)C1=CC=C(C=C1)NC(=S)N2CCSC2=NC3=CC=CC=C3OC","WBPUJMYTGVYMMV-HVTQBAKBSA-N",9572084,NA,"PDBC43349","702423","Present",NA,NA
+"43350","N-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[3,2-c]quinolin-4-amine",NA,"CC(=NOC)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C=CO4","QDOYEFUCJZNINM-YDZHTSKRSA-N",9572573,NA,"PDBC43350","720562","Present",NA,NA
+"43351","N-[4-[(Z)-N-(Diaminomethylideneamino)-C-propylcarbonimidoyl]phenyl]-5-methoxy-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{4-[(1e)-N-Carbamimidoylbutanehydrazonoyl]phenyl}-5-Me...",NA,"CCCC(=NN=C(N)N)C1=CC=C(C=C1)NC(=O)C2=CC3=C(N2)C=CC(=C3)OC","IFLKHYHIUCIDRM-ITYLOYPMSA-N",57547783,NA,"PDBC43351","776928","Present",NA,NA
+"43352","N-[4-[(Z)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(E)-N-Methoxy-C-methylcarbonimidoyl]phenyl]furo[2,3-b]quinolin-4-amine",NA,"CC(=NOC)C1=CC=C(C=C1)NC2=C3C=COC3=NC4=CC=CC=C42","PCUKNVFZQNHBBM-YDZHTSKRSA-N",9572569,NA,"PDBC43352","720554","Present",NA,NA
+"43353","N-[4-[(Z)-[2-(2-Chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]-N-(2-cyanoethyl)methanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[(Z)-[2-(2-Chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl]-N-(2-cyanoethyl)methanesulfonamide",NA,"CS(=O)(=O)N(CCC#N)C1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3Cl","CEBBGRDDIPFNDL-AQTBWJFISA-N",6477335,NA,"PDBC43353","645661","Present",NA,NA
+"43354","N-[4-[1,1,4-Trioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[1,1,4-Trioxo-2-(3-phenoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)N2C(S(=O)(=O)CC2=O)C3=CC(=CC=C3)OC4=CC=CC=C4","ZUZXVWQPDGGKLL-UHFFFAOYSA-N",401417,NA,"PDBC43354","715069","Present",NA,NA
+"43355","N-[4-[15-(4-Acetamidophenyl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,23-dihydroporphyrin-5-yl]phenyl]acetamide;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[15-(4-Acetamidophenyl)-10,20-bis(1-methylquinolin-1-ium-3-yl)-21,23-dihydroporphyrin-5-yl]phenyl]acetamide;chloride",NA,"CC(=O)NC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC8=CC=CC=C8[N+](=C7)C)C9=CC=C(C=C9)NC(=O)C)C=C4)C1=CC2=CC=CC=C2[N+](=C1)C)N3.[Cl-]","SIBGZPRINGCUMK-UHFFFAOYSA-O",16129941,NA,"PDBC43355","712202","Present",NA,NA
+"43356","N-[4-[2-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-(2,4-Dinitrophenyl)-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4O)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","BZOPBYDIPQRQIE-UHFFFAOYSA-N",402367,NA,"PDBC43356","716279","Present",NA,NA
+"43357","N-[4-[2-(2,4-Dinitrophenyl)-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-(2,4-Dinitrophenyl)-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CCOC1=C(C=CC(=C1)C2CC(=NN2C3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O","BAAKYBARSNVSLK-UHFFFAOYSA-N",402369,NA,"PDBC43357","716281","Present",NA,NA
+"43358","N-[4-[2-(2,4-Dinitrophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-(2,4-Dinitrophenyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","GJOJIEJJEVLOQP-UHFFFAOYSA-N",402366,NA,"PDBC43358","716278","Present",NA,NA
+"43359","N-[4-[2-(2,4-Dinitrophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-(2,4-Dinitrophenyl)-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CS4)C5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]","KJNSKKVIMVOSRG-UHFFFAOYSA-N",402368,NA,"PDBC43359","716280","Present",NA,NA
+"43360","N-[4-[2-Benzoyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-Benzoyl-3-(2-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4O)C(=O)C5=CC=CC=C5","YUMXNKHKSMTXJU-UHFFFAOYSA-N",402371,NA,"PDBC43360","716283","Present",NA,NA
+"43361","N-[4-[2-Benzoyl-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-Benzoyl-3-(3-ethoxy-4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CCOC1=C(C=CC(=C1)C2CC(=NN2C(=O)C3=CC=CC=C3)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O","CBUVBCRJHVTISE-UHFFFAOYSA-N",402373,NA,"PDBC43361","716285","Present",NA,NA
+"43362","N-[4-[2-[(4Z)-4-Benzylidene-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]-3-chloro-4-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-[(4Z)-4-Benzylidene-5-oxo-2-phenylimidazol-1-yl]-1,3-thiazol-4-yl]phenyl]-3-chloro-4-methoxybenzenesulfonamide",NA,"COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4C(=NC(=CC5=CC=CC=C5)C4=O)C6=CC=CC=C6)Cl","RKTIYAZGPIMWGE-IMRQLAEWSA-N",5472208,NA,"PDBC43362","716942","Present",NA,NA
+"43363","N-[4-[2-[(Z)-Benzylideneamino]-1,3-thiazol-4-yl]phenyl]-4-chloro-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-[(Z)-Benzylideneamino]-1,3-thiazol-4-yl]phenyl]-4-chloro-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N=CC4=CC=CC=C4)Cl","LSIKWRWKBBATLB-QFEZKATASA-N",9572445,NA,"PDBC43363","716293","Present",NA,NA
+"43364","N-[4-[2-[2-[[4,6-Bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl-propylamino]-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-[2-[[4,6-Bis[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]amino]ethyldisulfanyl]ethyl-propylamino]-6-[hydroxy(methyl)amino]-1,3,5-triazin-2-yl]-N-methylhydroxylamine",NA,"CCCN(CCSSCCNC1=NC(=NC(=N1)N(C)O)N(C)O)C2=NC(=NC(=N2)N(C)O)N(C)O","GNZMMBRUORJHAZ-UHFFFAOYSA-N",45029485,NA,"PDBC43364","746931","Present",NA,NA
+"43365","N-[4-[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-[3-(2-Methyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide",NA,"CC1=NC(=CS1)C2=CC(=CC=C2)NC3=NC(=CS3)C4=CC=C(C=C4)NC(=O)C","QRZJFRJYHXPANB-UHFFFAOYSA-N",24203949,NA,"PDBC43365","730248","Present",NA,NA
+"43366","N-[4-[2-[3-(2-Phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-[3-(2-Phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=CC(=C3)C4=CSC(=N4)C5=CC=CC=C5","DAFUHYRPTAHURH-UHFFFAOYSA-N",24203954,NA,"PDBC43366","730257","Present",NA,NA
+"43367","N-[4-[2-[3-[(E)-(1-Oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-[3-[(E)-(1-Oxo-3,4-dihydronaphthalen-2-ylidene)methyl]phenoxy]acetyl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)COC2=CC=CC(=C2)C=C3CCC4=CC=CC=C4C3=O","TUVVSFFOGSCTKJ-PXLXIMEGSA-N",45028854,NA,"PDBC43367","744635","Present",NA,NA
+"43368","N-[4-[2-[4-(2-Phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[2-[4-(2-Phenyl-1,3-thiazol-4-yl)anilino]-1,3-thiazol-4-yl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CC=C(C=C3)C4=CSC(=N4)C5=CC=CC=C5","AVOKQAKNAQDCEZ-UHFFFAOYSA-N",24203951,NA,"PDBC43368","730254","Present",NA,NA
+"43369","N-[4-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-1-phenylmethanimine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-1-phenylmethanimine oxide",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)[N+](=CC3=CC=CC=C3)[O-])C(=O)OC","BEJXLKBZHRZZGQ-WGARJPEWSA-N",5467963,NA,"PDBC43369","661054","Present",NA,NA
+"43370","N-[4-[3-(2-Hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[3-(2-Hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CC=C4O)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C","IJNQOTWXYWEIOI-UHFFFAOYSA-N",402375,NA,"PDBC43370","716287","Present",NA,NA
+"43371","N-[4-[3-(3-Ethoxy-4-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[3-(3-Ethoxy-4-hydroxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CCOC1=C(C=CC(=C1)C2CC(=NN2S(=O)(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C)C4=CC=C(C=C4)NS(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C)O","ONSAOTSFIQXERJ-UHFFFAOYSA-N",402378,NA,"PDBC43371","716290","Present",NA,NA
+"43372","N-[4-[3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[3-(4-Chlorophenyl)-5-(2,5-dimethoxyphenyl)pyrazol-1-yl]phenyl]sulfonylacetamide",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)OC)OC","YNWHICWLXCJMSU-UHFFFAOYSA-N",24204423,NA,"PDBC43372","731807","Present",NA,NA
+"43373","N-[4-[3-(4-Methoxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[3-(4-Methoxyphenyl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=C(C=C4)OC)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C","HEUQOYKOPJDDCA-UHFFFAOYSA-N",402376,NA,"PDBC43373","716288","Present",NA,NA
+"43374","N-[4-[3-(Furan-2-yl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[3-(Furan-2-yl)-2-(2-methyl-5-nitrophenyl)sulfonyl-3,4-dihydropyrazol-5-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NN(C(C3)C4=CC=CO4)S(=O)(=O)C5=C(C=CC(=C5)[N+](=O)[O-])C","KITQOAPFDISHBJ-UHFFFAOYSA-N",402379,NA,"PDBC43374","716291","Present",NA,NA
+"43375","N-[4-[3-Chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[3-Chloro-2-(4-methylsulfanylphenyl)-4-oxoazetidin-1-yl]phenyl]propanamide",NA,"CCC(=O)NC1=CC=C(C=C1)N2C(C(C2=O)Cl)C3=CC=C(C=C3)SC","IMSWXABTJYOLJD-UHFFFAOYSA-N",402229,NA,"PDBC43375","716120","Present",NA,NA
+"43376","N-[4-[3-[2-[3-(Benzenesulfonyl)prop-1-ynyl]phenyl]prop-2-ynoxy]butyl]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[3-[2-[3-(Benzenesulfonyl)prop-1-ynyl]phenyl]prop-2-ynoxy]butyl]-1H-indole-2-carboxamide",NA,"C1=CC=C(C=C1)S(=O)(=O)CC#CC2=CC=CC=C2C#CCOCCCCNC(=O)C3=CC4=CC=CC=C4N3","JDEHUGJBNGDFDF-UHFFFAOYSA-N",24205308,NA,"PDBC43376","734996","Present",NA,NA
+"43377","N-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-5-nitrofuran-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]-5-nitrofuran-2-carboxamide",NA,"COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(O3)[N+](=O)[O-]","YFSRBYPZGUIXRO-UHFFFAOYSA-N",398713,NA,"PDBC43377","708857","Present",NA,NA
+"43378","N-[4-[4-(4-Nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[4-(4-Nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-2-yl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2CC(=NC3=CC=CC=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]","LDXXZAXLAYTZOS-UHFFFAOYSA-N",359745,NA,"PDBC43378","621192","Present",NA,NA
+"43379","N-[4-[4-(Acridin-9-ylamino)phenoxy]phenyl]acridin-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[4-(Acridin-9-ylamino)phenoxy]phenyl]acridin-9-amine",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)OC5=CC=C(C=C5)NC6=C7C=CC=CC7=NC8=CC=CC=C86","OGIFSVRLZMZUQH-UHFFFAOYSA-N",356733,NA,"PDBC43379","613662","Present",NA,NA
+"43380","N-[4-[4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[4-Oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)N2C(SCC2=O)C3=CC(=C(C(=C3)OC)OC)OC","KZBCBNFTTMGPGI-UHFFFAOYSA-N",396383,NA,"PDBC43380","702336","Present",NA,NA
+"43381","N-[4-[4-[(4Z)-4-Benzylidene-5-oxo-2-phenylimidazol-1-yl]phenyl]-1,3-thiazol-2-yl]-4-chloro-3-methoxybenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[4-[(4Z)-4-Benzylidene-5-oxo-2-phenylimidazol-1-yl]phenyl]-1,3-thiazol-2-yl]-4-chloro-3-methoxybenzenesulfonamide",NA,"COC1=C(C=CC(=C1)S(=O)(=O)NC2=NC(=CS2)C3=CC=C(C=C3)N4C(=NC(=CC5=CC=CC=C5)C4=O)C6=CC=CC=C6)Cl","SFBIAYFRYJKGOP-IMRQLAEWSA-N",5472212,NA,"PDBC43381","716946","Present",NA,NA
+"43382","N-[4-[5-(2-Hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[5-(2-Hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(C3)C4=CC=CC=C4O","RMAHUHMWPKNUTI-UHFFFAOYSA-N",402359,NA,"PDBC43382","716271","Present",NA,NA
+"43383","N-[4-[5-(2-Hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[5-(2-Hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NNC(C3)C4=CC=CC=C4O","JIXJWDBBFBNYDM-UHFFFAOYSA-N",402363,NA,"PDBC43383","716275","Present",NA,NA
+"43384","N-[4-[5-(3-Ethoxy-4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[5-(3-Ethoxy-4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CCOC1=C(C=CC(=C1)C2CC(=NN2)C3=CC=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C)O","AYTYZPXNHKCAOG-UHFFFAOYSA-N",402365,NA,"PDBC43384","716277","Present",NA,NA
+"43385","N-[4-[5-(Furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[5-(Furan-2-yl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-2-methyl-5-nitrobenzenesulfonamide",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=C(C=C2)C3=NOC(C3)C4=CC=CO4","XMKNEKNCBQOPCV-UHFFFAOYSA-N",402361,NA,"PDBC43385","716273","Present",NA,NA
+"43386","N-[4-[Acetyl(nitroso)amino]phenyl]-N-nitrosoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n,n'-Benzene-1,4-diylbis(n-nitrosoacetamide)",NA,"CC(=O)N(C1=CC=C(C=C1)N(C(=O)C)N=O)N=O","QXDUVTBORLYBPL-UHFFFAOYSA-N",266725,NA,"PDBC43386","105473","Present",NA,NA
+"43387","N-[4-[Bis(2-chloroethyl)aminomethyl]phenyl]-7-chloroquinolin-4-amine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[Bis(2-chloroethyl)aminomethyl]phenyl]-7-chloroquinolin-4-amine;hydrochloride",NA,"C1=CC(=CC=C1CN(CCCl)CCCl)NC2=C3C=CC(=CC3=NC=C2)Cl.Cl","HTPWPDVJAYULHO-UHFFFAOYSA-N",24187837,NA,"PDBC43387","69354","Present",NA,NA
+"43388","N-[4-[Methylsulfonyl(prop-2-enyl)amino]-5-nitro-2-phenylmethoxyphenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[Methylsulfonyl(prop-2-enyl)amino]-5-nitro-2-phenylmethoxyphenyl]acetamide",NA,"CC(=O)NC1=CC(=C(C=C1OCC2=CC=CC=C2)N(CC=C)S(=O)(=O)C)[N+](=O)[O-]","BRGYKWUJYPNEIU-UHFFFAOYSA-N",396975,NA,"PDBC43388","704212","Present",NA,NA
+"43389","N-[4-[[(2,4-Dichlorophenyl)sulfonylamino]carbamoyl]-3-ethoxyphenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[(2,4-Dichlorophenyl)sulfonylamino]carbamoyl]-3-ethoxyphenyl]acetamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NNS(=O)(=O)C2=C(C=C(C=C2)Cl)Cl","HKERNQMRUINGBB-UHFFFAOYSA-N",402302,NA,"PDBC43389","716193","Present",NA,NA
+"43390","N-[4-[[(3-Methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]methyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[(3-Methyl-2,4-dioxo-1H-pyrimidin-6-yl)amino]methyl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)CNC2=CC(=O)N(C(=O)N2)C","WKDKPBPINCXUEY-UHFFFAOYSA-N",385868,NA,"PDBC43390","677267","Present",NA,NA
+"43391","N-[4-[[(4-Acetamido-2-ethoxybenzoyl)amino]sulfamoyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[(4-Acetamido-2-ethoxybenzoyl)amino]sulfamoyl]phenyl]acetamide",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NNS(=O)(=O)C2=CC=C(C=C2)NC(=O)C","YHNCGIWTIXFFKZ-UHFFFAOYSA-N",402299,NA,"PDBC43391","716190","Present",NA,NA
+"43392","N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-2-carboxamide, N-[2-[[[4-[[5,5a,6,8,8a,9-hexa...",NA,"CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)NC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)NC(=O)C8=CC(=CN8C)[N+](=O)[O-]","DLZMTAUCCZKICH-RAROJLCTSA-N",5469122,NA,"PDBC43392","683416","Present",NA,NA
+"43393","N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)NC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)[N+](=O)[O-]","JKDAETVNFABJQD-GEYQZXRLSA-N",5469120,NA,"PDBC43393","683414","Present",NA,NA
+"43394","N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]phenyl]-1-methyl-4-nitropyrrole-2-carboxamide;hydrochloride",NA,"CN1C=C(C=C1C(=O)NC2=CC=C(C=C2)NC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)[N+](=O)[O-].Cl","WEDSSFYVXYLQLK-DVMCIEKCSA-N",5469121,NA,"PDBC43394","683415","Present",NA,NA
+"43395","N-[4-[[(E)-(3-Bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]sulfamoyl]-2,5-dimethoxyphenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[(E)-(3-Bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]sulfamoyl]-2,5-dimethoxyphenyl]acetamide",NA,"CC(=O)NC1=CC(=C(C=C1OC)S(=O)(=O)NN=CC2=CC(=C(C(=C2)Br)O)OC)OC","JTGLLZLWWMLONF-AWQFTUOYSA-N",135436253,NA,"PDBC43395","716179","Present",NA,NA
+"43396","N-[4-[[2-(4-Chloroanilino)-2-oxoethyl]amino]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[2-(4-Chloroanilino)-2-oxoethyl]amino]phenyl]propanamide",NA,"CCC(=O)NC1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)Cl","FAWHVKAACAZATO-UHFFFAOYSA-N",402219,NA,"PDBC43396","716110","Present",NA,NA
+"43397","N-[4-[[2-(4-Methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[2-(4-Methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide",NA,"CCC(=O)NC1=CC=C(C=C1)NCC(=O)NC2=CC=C(C=C2)OC","MQTOYJSUEYMYMS-UHFFFAOYSA-N",402220,NA,"PDBC43397","716111","Present",NA,NA
+"43398","N-[4-[[4-[5-(4-Bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-(4-chlorophenyl)pyrimidin-2-yl]sulfamoyl]phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[4-[5-(4-Bromophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-6-(4-chlorophenyl)pyrimidin-2-yl]sulfamoyl]phenyl]acetamide",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=CC(=N2)N3C(CC(=N3)C4=CC=C(C=C4)Br)C5=CC=CC=C5)C6=CC=C(C=C6)Cl","LECXGIZIWYJDJT-UHFFFAOYSA-N",403759,NA,"PDBC43398","719178","Present",NA,NA
+"43399","N-[4-[[Cyano-(3-phenoxyphenyl)methyl]amino]phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[4-[[Cyano-(3-phenoxyphenyl)methyl]amino]phenyl]propanamide",NA,"CCC(=O)NC1=CC=C(C=C1)NC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3","BIMFOHNJASKBNW-UHFFFAOYSA-N",402218,NA,"PDBC43399","716109","Present",NA,NA
+"43400","N-[5,6-Bis[[4-[(3-iodophenyl)methyl]piperazin-1-yl]methyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-2-yl]octanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(5,6-bis((4-(3-iodobenzyl)piperazin-1-yl)methyl)-4-oxo...",NA,"CCCCCCCC(=O)NC1=NC2=C(C(=C(N2)CN3CCN(CC3)CC4=CC(=CC=C4)I)CN5CCN(CC5)CC6=CC(=CC=C6)I)C(=O)N1","UVMQSBRISLPFBC-UHFFFAOYSA-N",155805404,NA,"PDBC43400","795215","Present",NA,NA
+"43401","N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[morpholino(thiocarbonyl)]thio]-2-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-2-oxo-1-phenylethyl] morpholine-4-carbodithioate",NA,"C1COCCN1C(=S)SC(C2=CC=CC=C2)C(=O)NC3=NN=C(O3)C4=CC=C(C=C4)Cl","QEAPVEWSPLFSKX-UHFFFAOYSA-N",399290,NA,"PDBC43401","709979","Present",NA,NA
+"43402","N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[morpholino(thiocarbonyl)]thio]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] morpholine-4-carbodithioate",NA,"CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N3CCOCC3","LOPMRWGKYIFGGP-UHFFFAOYSA-N",399293,NA,"PDBC43402","709982","Present",NA,NA
+"43403","N-[5-(4-Chlorophenyl)-1,3,4-oxadiazole-2-yl]-2-[[piperidino(thiocarbonyl)]thio]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] piperidine-1-carbodithioate",NA,"CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N3CCCCC3","PBEKGYULFSLLNO-UHFFFAOYSA-N",399294,NA,"PDBC43403","709983","Present",NA,NA
+"43404","N-[5-(4-Chlorophenyl)-3-phenyl-2-sulfanylidene-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-(4-chlorophenyl)-3-phenyl-2-thioxo-2,3-dihydro[1,3]...",NA,"C1=CC=C(C=C1)N2C3=NC(=NC(=C3SC2=S)NC(=O)C(F)(F)F)C4=CC=C(C=C4)Cl","SUXMEWZMZNVCOC-UHFFFAOYSA-N",155810449,NA,"PDBC43404","789684","Present",NA,NA
+"43405","N-[5-(Benzylamino)-2-phenylmethoxyphenyl]-3-(1,3-dioxolan-2-yl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-(Benzylamino)-2-phenylmethoxyphenyl]-3-(1,3-dioxolan-2-yl)propanamide",NA,"C1COC(O1)CCC(=O)NC2=C(C=CC(=C2)NCC3=CC=CC=C3)OCC4=CC=CC=C4","PLGVJBLMLVMTPF-UHFFFAOYSA-N",272166,NA,"PDBC43405","116415","Present",NA,NA
+"43406","N-[5-(Benzylamino)-2-phenylmethoxyphenyl]-N-methylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-(Benzylamino)-2-phenylmethoxyphenyl]-N-methylacetamide",NA,"CC(=O)N(C)C1=C(C=CC(=C1)NCC2=CC=CC=C2)OCC3=CC=CC=C3","QEEUDQXHVMKMTO-UHFFFAOYSA-N",272164,NA,"PDBC43406","116413","Present",NA,NA
+"43407","N-[5-(Diethylamino)pentan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-(Diethylamino)pentan-2-yl]-6-methyl-2-(1-methylimidazol-2-yl)quinoline-4-carboxamide",NA,"CCN(CC)CCCC(C)NC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=NC=CN3C","YFLQOQBVEIBODJ-UHFFFAOYSA-N",387306,NA,"PDBC43407","680999","Present",NA,NA
+"43408","N-[5-Amino-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-Amino-1-[6-methyl-4-(trifluoromethyl)pyridin-2-yl]-1,2,4-triazol-3-yl]-4-chloro-5-methyl-2-sulfanylbenzenesulfonamide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC2=NN(C(=N2)N)C3=NC(=CC(=C3)C(F)(F)F)C","PKUWAADOJBXUKE-UHFFFAOYSA-N",384319,NA,"PDBC43408","674003","Present",NA,NA
+"43409","N-[5-Chloro-2-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]adamantane-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-Chloro-2-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]adamantane-1-carboxamide",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)NNC(=O)C5=CC=C(C=C5)Cl","XVBRZWGEDPNWFW-UHFFFAOYSA-N",403463,NA,"PDBC43409","718360","Present",NA,NA
+"43410","N-[5-Methyl-7-[4-[6-[4-[4-methyl-7-(pentanoylamino)-1,8-naphthyridin-2-yl]phenyl]-4-(4-methylphenyl)pyridin-2-yl]phenyl]-1,8-naphthyridin-2-yl]pentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-Methyl-7-[4-[6-[4-[4-methyl-7-(pentanoylamino)-1,8-naphthyridin-2-yl]phenyl]-4-(4-methylphenyl)pyridin-2-yl]phenyl]-1,8-naphthyridin-2-yl]pentanamide",NA,"CCCCC(=O)NC1=NC2=C(C=C1)C(=CC(=N2)C3=CC=C(C=C3)C4=CC(=CC(=N4)C5=CC=C(C=C5)C6=NC7=C(C=CC(=N7)NC(=O)CCCC)C(=C6)C)C8=CC=C(C=C8)C)C","UKZKEQIJPUMTSF-UHFFFAOYSA-N",395741,NA,"PDBC43410","700541","Present",NA,NA
+"43411","N-[5-[(2,5-Dioxoimidazolidin-4-yl)carbamoylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[(2,5-Dioxoimidazolidin-4-yl)carbamoylsulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide",NA,"CC1=C(SC(=N1)NC(=O)C)S(=O)(=O)NC(=O)NC2C(=O)NC(=O)N2","RANVZQMBNCSASQ-UHFFFAOYSA-N",398808,NA,"PDBC43411","708947","Present",NA,NA
+"43412","N-[5-[(4-Chlorophenyl)carbamothioylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[(4-Chlorophenyl)carbamothioylsulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide",NA,"CC(=O)NC1=NN=C(S1)S(=O)(=O)NC(=S)NC2=CC=C(C=C2)Cl","VLLVEEDNMWSBLP-UHFFFAOYSA-N",5471132,NA,"PDBC43412","708948","Present",NA,NA
+"43413","N-[5-[(E)-3-[6-Amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanamide, N-[5-[3-[7-amino-3-(chloromethyl)-2,3-dihydr...",NA,"CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C2C=C(C=C3)N)CCl)C","ZEHUETDVFMNOCM-SOFGYWHQSA-N",5933245,NA,"PDBC43413","691655","Present",NA,NA
+"43414","N-[5-[(E)-3-[8-(Chloromethyl)-1-methyl-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[(E)-3-[8-(Chloromethyl)-1-methyl-4-phenylmethoxy-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide",NA,"CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C4C(=CNC4=C(C=C32)OCC5=CC=CC=C5)C)CCl)C","XVTRMGSERVBUFQ-VAWYXSNFSA-N",5469857,NA,"PDBC43414","693563","Present",NA,NA
+"43415","N-[5-[(E)-3-[8-(Chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[(E)-3-[8-(Chloromethyl)-4-hydroxy-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-6-yl]-3-oxoprop-1-enyl]-1-methylpyrrol-3-yl]butanamide",NA,"CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C4C(=CNC4=C(C=C32)O)C)CCl)C","PXXCJJGMHOTWOR-VOTSOKGWSA-N",6181210,NA,"PDBC43415","693564","Present",NA,NA
+"43416","N-[5-[(Z)-3-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-1-methylpyrazol-3-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[(Z)-3-[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-3-oxoprop-1-enyl]-1-methylpyrazol-3-yl]acetamide",NA,"CC(=O)NC1=NN(C(=C1)C=CC(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl)C","CWQIJVNYJRUBQW-FPLPWBNLSA-N",5470439,NA,"PDBC43416","701747","Present",NA,NA
+"43417","N-[5-[2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NN=C(O5)NC(=O)C6=CC=C(C=C6)Cl","XRPABIKIBSKAGP-UHFFFAOYSA-N",135426753,NA,"PDBC43417","716137","Present",NA,NA
+"43418","N-[5-[2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[2-(5-Benzoyl-1H-benzimidazol-2-yl)-3,4,5,6-tetrachlorophenyl]-1,3,4-oxadiazol-2-yl]benzamide",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)NC(=N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NN=C(O5)NC(=O)C6=CC=CC=C6","WAWAAGJZDPASRQ-UHFFFAOYSA-N",135426752,NA,"PDBC43418","716135","Present",NA,NA
+"43419","N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide",NA,"CN1C(=CC(=N1)NC(=O)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C(=O)NC5=NN(C(=C5)C(=O)NCCCN(C)C)C","HYKJXARONSRIMT-UHFFFAOYSA-N",405408,NA,"PDBC43419","722650","Present",NA,NA
+"43420","N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxamide",NA,"CC1=C(SC(=N1)NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)NC5=CN(C(=C5)C(=O)NCCCN(C)C)C","RENQCZHBFFWCDX-UHFFFAOYSA-N",45027933,NA,"PDBC43420","740202","Present",NA,NA
+"43421","N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCC3=CNC4=CC=CC=C43","CCOFWWHPPVOAPW-UHFFFAOYSA-N",405333,NA,"PDBC43421","722556","Present",NA,NA
+"43422","N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[3-[(9,10-dioxoanthracen-2-yl)sulfonylamino]propanoylamino]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-4-[3-[(9,10-dioxoanthracen-2-yl)sulfonylamino]propanoylamino]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)CCNS(=O)(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O","NNRTVTLMTRVYJR-UHFFFAOYSA-N",16736082,NA,"PDBC43422","732045","Present",NA,NA
+"43423","N-[5-[[4,5-Dideuterio-6-[1-(trideuteriomethyl)indol-3-yl]-1H-pyrimidin-2-ylidene]amino]-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5...",NA,"CN1C=C(C2=CC=CC=C21)C3=CC=NC(=NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC)N3","DUYJMQONPNNFPI-YQNNQXDBSA-N",155811998,NA,"PDBC43423","795440","Present",NA,NA
+"43424","N-[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-methylpyrazole-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrazol-3-yl]carbamoyl]-1-methylpyrazol-3-yl]-5-[4-[(2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]butanoylamino]-2-",NA,"CN1C(=CC(=N1)NC(=O)CCCOC2=C(C=C3C(=C2)N=CC4CCCN4C3=O)OC)C(=O)NC5=NN(C(=C5)C(=O)NC6=NN(C(=C6)C(=O)NCCCN(C)C)C)C","NZWFISHYJFCBOO-UHFFFAOYSA-N",405409,NA,"PDBC43424","722651","Present",NA,NA
+"43425","N-[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[[5-[3-(Dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-4-[3-(1H-indol-3-yl)propanoylamino]-1-methylpyrrole-2-carboxamide",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCN(C)C)C)C)NC(=O)CCC4=CNC5=CC=CC=C54","JFBDRRFDFLUQOW-UHFFFAOYSA-N",406618,NA,"PDBC43425","724858","Present",NA,NA
+"43426","N-[5-[[5-[[3-[[5-[[5-[[5-[[2-[3-(Dimethylamino)propylamino]-2-oxoethyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[[5-[[3-[[5-[[5-[[5-[[2-[3-(Dimethylamino)propylamino]-2-oxoethyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-3-oxopropyl]carbamoyl]-1-meth",NA,"CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NCC(=O)NCCCN(C)C)C)C)C)C)C.C(=O)(C(F)(F)F)O","MCBLQZPIDQATDP-UHFFFAOYSA-N",389084,NA,"PDBC43426","684746","Present",NA,NA
+"43427","N-[5-[[5-[[4-[[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[[5-[[4-[[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]amino]-4-oxobutyl]carbamoyl]-1-meth",NA,"CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCCC(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NCCC(=O)NCCCN(C)C)C)C)C)C)C.C(=O)(C(F)(F)F)O","UTNXEVYNWSPFET-UHFFFAOYSA-N",389086,NA,"PDBC43427","684748","Present",NA,NA
+"43428","N-[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-methylimidazole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]butanoylamino]imidazole-2-carboxamide;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-me",NA,"CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCCC(=O)NC5=CN(C(=N5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CN(C(=C7)C(=O)NC8=CN(C(=C8)C(=O)NCCC(=O)NCCCN(C)C)C)C)C)C)C)C)C.C(=O)(C(F)(F)F)O","ZLRXZVIBQDXBMU-UHFFFAOYSA-N",16129919,NA,"PDBC43428","684747","Present",NA,NA
+"43429","N-[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[5-[[5-[[5-[[3-[3-(Dimethylamino)propylamino]-3-oxopropyl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide;2,2,2-trifluor",NA,"CN1C=CN=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=O)NCCCN(C)C)C)C)C.C(=O)(C(F)(F)F)O","HMYDNNNZWPJNBM-UHFFFAOYSA-N",389088,NA,"PDBC43429","684749","Present",NA,NA
+"43430","N-[6,7-Dibromo-20-(hydroxyamino)-2,11-dioxa-18,21-diazatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),4,6,8,12,14,16,18,20,22,24-undecaen-19-yl]hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[6,7-Dibromo-20-(hydroxyamino)-2,11-dioxa-18,21-diazatetracyclo[20.4.0.04,9.012,17]hexacosa-1(26),4,6,8,12,14,16,18,20,22,24-undecaen-19-yl]hydroxylamine",NA,"C1C2=CC(=C(C=C2COC3=CC=CC=C3N=C(C(=NC4=CC=CC=C4O1)NO)NO)Br)Br","HEKCLUAZHSBFCB-UHFFFAOYSA-N",135406861,NA,"PDBC43430","683326","Present",NA,NA
+"43431","N-[6-(Naphthalen-1-ylcarbamoylamino)hexyl]naphthalene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[6-(Naphthalen-1-ylcarbamoylamino)hexyl]naphthalene-1-carboxamide",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCNC(=O)NC3=CC=CC4=CC=CC=C43","DLJIPJRYRJVLNH-UHFFFAOYSA-N",387930,NA,"PDBC43431","682235","Present",NA,NA
+"43432","N-[6-(Naphthalene-1-carbonylamino)hexyl]naphthalene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-(1,6-Hexanediyl)bis(1-naphthamide)",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)NCCCCCCNC(=O)C3=CC=CC4=CC=CC=C43","CXUPFLUEODCCSZ-UHFFFAOYSA-N",364096,NA,"PDBC43432","629737","Present",NA,NA
+"43433","N-[6-({[3,5-Bis(trifluoromethyl)phenyl]sulfonyl}amino)-2-oxo-2H-chromen-3-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[6-(3,5-Bis-trifluoromethyl-benzenesulfonylamino)-2-oxo-2H-chromen-3-yl]-acetamide",NA,"CC(=O)NC1=CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC1=O","UHCCOXMYSYMFIY-UHFFFAOYSA-N",338566,NA,"PDBC43433","361668","Present",NA,NA
+"43434","N-[6-Amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-2-[2-[5-[[2-[[3-hydroxy-2-[[3-(1H-imidazol-4-yl)-2-[[3-(1H-indol-3-yl)-2-[2-[2-(3-sulfanylpropanoylamino)propanoylamino]propanoylamino]propanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]pentanoylamino]propanoylamino]pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[6-Amino-1-[[1-[[5-carbamimidamido-1-[(1,6-diamino-1-oxohexan-2-yl)amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]-2-[2-[5-[[2-[[3-hydroxy-2-[[3-(1H-imidazol-4-yl)-2-[[3-(1H-",NA,"CC(C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC=N3)C(=O)NC(CO)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NCCCCC(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)N)NC(=O)CCS","SXVBLCQJSSGGFJ-UHFFFAOYSA-N",16129813,NA,"PDBC43434","676934","Present",NA,NA
+"43435","N-[6-[(2-Aminoethyl)amino]hexyl]-4-acridinecarboxamide trihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[6-[(2-Aminoethyl)amino]hexyl]-4-acridinecarboxamide t...",NA,"C1=CC=C2C(=C1)C=C3C=CC=C(C3=N2)C(=O)NCCCCCCNCCN.Cl","XOYGXYLTMYJYIJ-UHFFFAOYSA-N",386515,NA,"PDBC43435","678915","Present",NA,NA
+"43436","N-[6-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]hexyl]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[6-[(2-Methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl)oxy]hexyl]-1H-indole-2-carboxamide",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCNC(=O)C4=CC5=CC=CC=C5N4","UWGVFEIQEGDMFX-UHFFFAOYSA-N",20826872,NA,"PDBC43436","726367","Present",NA,NA
+"43437","N-[6-[3-(Diethylsulfamoyl)phenyl]-1H-indazol-3-yl]cyclopropanecarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-(3-((N,N-diethylsulfamoyl)amino)phenyl)-1H-indazol-...",NA,"CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C2=CC3=C(C=C2)C(=NN3)NC(=O)C4CC4","JPWTZNZIWQIJSJ-UHFFFAOYSA-N",155807685,NA,"PDBC43437","800717","Present",NA,NA
+"43438","N-[6-[Benzoyl-[cyano(phenyl)methyl]amino]hexyl]-N-[cyano(phenyl)methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[6-[Benzoyl-[cyano(phenyl)methyl]amino]hexyl]-N-[cyano(phenyl)methyl]benzamide",NA,"C1=CC=C(C=C1)C(C#N)N(CCCCCCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","LXCTYVCGDCDFMI-UHFFFAOYSA-N",387715,NA,"PDBC43438","681744","Present",NA,NA
+"43439","N-[7-(2,5-Dioxopyrrol-1-yl)-9H-fluoren-2-yl]-2,2,2-trifluoroacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[7-(2,5-Dioxopyrrol-1-yl)-9H-fluoren-2-yl]-2,2,2-trifluoroacetamide",NA,"C1C2=C(C=CC(=C2)NC(=O)C(F)(F)F)C3=C1C=C(C=C3)N4C(=O)C=CC4=O","SELHQQIYNGYUCH-UHFFFAOYSA-N",348883,NA,"PDBC43439","408383","Present",NA,NA
+"43440","N-[7-(2-Aminoethyl)-6-oxo-3H-purin-2-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(7-(2-Aminoethyl)-6-hydroxy-7H-purin-2-yl)benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N(C=N3)CCN","KUWJGUZLWKIVAY-UHFFFAOYSA-N",135503479,NA,"PDBC43440","639791","Present",NA,NA
+"43441","N-[7-Chloro-2-(trichloromethyl)quinazolin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[7-Chloro-2-(trichloromethyl)quinazolin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine;hydrochloride",NA,"CC(C)N(CCNC1=NC(=NC2=C1C=CC(=C2)Cl)C(Cl)(Cl)Cl)C(C)C.Cl","WRBMXVZYAFTWPB-UHFFFAOYSA-N",24193414,NA,"PDBC43441","152089","Present",NA,NA
+"43442","N-[8-(Quinoxaline-2-carbonylamino)octyl]quinoxaline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[8-(Quinoxaline-2-carbonylamino)octyl]quinoxaline-2-carboxamide",NA,"C1=CC=C2C(=C1)N=CC(=N2)C(=O)NCCCCCCCCNC(=O)C3=NC4=CC=CC=C4N=C3","CXQFTXGHRGUMMS-UHFFFAOYSA-N",364904,NA,"PDBC43442","631732","Present",NA,NA
+"43443","N-[8-Benzamido-4-[(9,10-dioxoanthracen-1-yl)amino]-9,10-dioxoanthracen-1-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[8-Benzamido-5-[(9,10-dioxo-1-anthryl)amino]-9,10-dioxo-1-anthryl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O)C(=O)C7=C(C3=O)C(=CC=C7)NC(=O)C8=CC=CC=C8","YIKPDAGMKPPHJO-UHFFFAOYSA-N",5356548,NA,"PDBC43443","60678","Present",NA,NA
+"43444","N-[8-Bromo-7-[(4-methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-e][1,3]benzothiazol-2-yl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[8-bromo-7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl...",NA,"CC(=O)NC1=NC2=C(S1)CCC3=C(N(C(=C32)Br)CC4=CC=C(C=C4)OC)C5=CC(=C(C(=C5)OC)OC)OC","CQZXBNHRKGWRTG-UHFFFAOYSA-N",155806805,NA,"PDBC43444","766962","Present",NA,NA
+"43445","N-[9,10-Dioxo-4-(prop-2-enoylamino)anthracen-1-yl]prop-2-enamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[9,10-Dioxo-4-(prop-2-enoylamino)anthracen-1-yl]prop-2-enamide",NA,"C=CC(=O)NC1=C2C(=C(C=C1)NC(=O)C=C)C(=O)C3=CC=CC=C3C2=O","OILWKNBHXAQZGW-UHFFFAOYSA-N",384115,NA,"PDBC43445","673344","Present",NA,NA
+"43446","N-[9,10-Dioxo-6-(3-piperidin-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-2-ylpropanamide;iodomethane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[9,10-Dioxo-6-(3-piperidin-1-ylpropanoylamino)anthracen-2-yl]-3-piperidin-2-ylpropanamide;iodomethane",NA,"CI.C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCC5CCCCN5","WPLONUNETDEXSD-UHFFFAOYSA-N",374319,NA,"PDBC43446","651844","Present",NA,NA
+"43447","N-[9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[9-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxyoxolan-2-yl]purin-6-yl]benzamide",NA,"CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)O","BJZZQJFYKQPUGO-UHFFFAOYSA-N",356578,NA,"PDBC43447","613001","Present",NA,NA
+"43448","N-[Amino-[(4-methylsulfinylphenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Amino-[(4-methylsulfinylphenyl)methoxy]phosphoryl]-2-chloro-N-(2-chloroethyl)ethanamine",NA,"CS(=O)C1=CC=C(C=C1)COP(=O)(N)N(CCCl)CCCl","YXGJUDKWFMTARJ-UHFFFAOYSA-N",368014,NA,"PDBC43448","638243","Present",NA,NA
+"43449","N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-chloroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-3-chloroaniline",NA,"C1=CC=C(C=C1)OP(=O)(NC2=CC(=CC=C2)Cl)N(CCCl)CCCl","XPVYUVBDAQWVOI-UHFFFAOYSA-N",370334,NA,"PDBC43449","643193","Present",NA,NA
+"43450","N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-chloroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-chloroaniline",NA,"C1=CC=C(C=C1)OP(=O)(NC2=CC=C(C=C2)Cl)N(CCCl)CCCl","CDPPRYBJBWLFLD-UHFFFAOYSA-N",370333,NA,"PDBC43450","643192","Present",NA,NA
+"43451","N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Bis(2-chloroethyl)amino-phenoxyphosphoryl]-4-methylaniline",NA,"CC1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=CC=CC=C2","CZZICUIIFOMZFN-UHFFFAOYSA-N",370335,NA,"PDBC43451","643194","Present",NA,NA
+"43452","N-[Bis(2-methylhydrazino)methylene]-5-cyano-2-mercapto-4-(2-methylhydrazino)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Bis(2-methylhydrazino)methylene]-5-cyano-2-mercapto-4-(2-methylhydrazino)benzenesulfonamide",NA,"CNNC1=CC(=C(C=C1C#N)S(=O)(=O)N=C(NNC)NNC)S","YUHHOIVGOZTQSR-UHFFFAOYSA-N",378505,NA,"PDBC43452","661105","Present",NA,NA
+"43453","N-[Bis(4-fluorophenyl)methyl]-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Bis(4-fluorophenyl)methyl]-2-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)acetamide;hydrochloride",NA,"CN1C2CCC1CC(C2)CC(=O)NC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F.Cl","BLOTUBLIWKABJF-UHFFFAOYSA-N",401891,NA,"PDBC43453","715581","Present",NA,NA
+"43454","N-[Bis(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Bis(5,6-dimethyl-1H-benzimidazol-2-yl)methyl]acetamide",NA,"CC1=CC2=C(C=C1C)N=C(N2)C(C3=NC4=C(N3)C=C(C(=C4)C)C)NC(=O)C","PBKSRLRVYSIOHO-UHFFFAOYSA-N",260983,NA,"PDBC43454","92835","Present",NA,NA
+"43455","N-[Bis(aziridin-1-yl)phosphoryl]pyridin-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phosphinic amide, p,p-bis(1-aziridinyl)-n-2-pyridyl- (8ci)",NA,"C1CN1P(=O)(NC2=CC=CC=N2)N3CC3","VNKQXJJJVFNSIV-UHFFFAOYSA-N",265076,NA,"PDBC43455","100868","Present",NA,NA
+"43456","N-[Bis(dimethoxyphosphoryl)methyl]formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Bis(dimethoxyphosphoryl)methyl]formamide",NA,"COP(=O)(C(NC=O)P(=O)(OC)OC)OC","SNRSCDLUCQHRNF-UHFFFAOYSA-N",382149,NA,"PDBC43456","669594","Present",NA,NA
+"43457","N-[Bis[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Bis[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide",NA,"CN(C)C1=CC=C(C=C1)C(=NNC(=O)C2=CC3=CC=CC=C3N2)C4=CC=C(C=C4)N(C)C","FVRMHXWKKOQTBZ-UHFFFAOYSA-N",399297,NA,"PDBC43457","709986","Present",NA,NA
+"43458","N-[Cyano(phenyl)methyl]-N-[2-[2-[2-[[cyano(phenyl)methyl]-(naphthalene-1-carbonyl)amino]ethoxy]ethoxy]ethyl]naphthalene-1-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Cyano(phenyl)methyl]-N-[2-[2-[2-[[cyano(phenyl)methyl]-(naphthalene-1-carbonyl)amino]ethoxy]ethoxy]ethyl]naphthalene-1-carboxamide",NA,"C1=CC=C(C=C1)C(C#N)N(CCOCCOCCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CC6=CC=CC=C65","NMCVCQNBALQCFY-UHFFFAOYSA-N",387717,NA,"PDBC43458","681746","Present",NA,NA
+"43459","N-[Diethoxyphosphoryl(phenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Diethoxyphosphoryl(phenyl)methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide",NA,"CCOP(=O)(C(C1=CC=CC=C1)NC(=O)C(C(F)(F)F)C(F)(F)F)OCC","YULVLLMJUKAERH-UHFFFAOYSA-N",382503,NA,"PDBC43459","670109","Present",NA,NA
+"43460","N-[Diethoxyphosphoryl(phenyl)methyl]-3-nitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Diethoxyphosphoryl(phenyl)methyl]-3-nitroaniline",NA,"CCOP(=O)(C(C1=CC=CC=C1)NC2=CC(=CC=C2)[N+](=O)[O-])OCC","PPUIQPHUSHPJKF-UHFFFAOYSA-N",385493,NA,"PDBC43460","676742","Present",NA,NA
+"43461","N-[Diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-fluoro-aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Diethoxyphosphoryl-(3-nitrophenyl)methyl]-4-fluoro-aniline",NA,"CCOP(=O)(C(C1=CC(=CC=C1)[N+](=O)[O-])NC2=CC=C(C=C2)F)OCC","RZTGUESPNWQMKU-UHFFFAOYSA-N",385495,NA,"PDBC43461","676744","Present",NA,NA
+"43462","N-[Diethoxyphosphoryl-[4-(1-hydroxybutyl)triazol-1-yl]methyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Diethoxyphosphoryl-[4-(1-hydroxybutyl)triazol-1-yl]methyl]benzamide",NA,"CCCC(C1=CN(N=N1)C(NC(=O)C2=CC=CC=C2)P(=O)(OCC)OCC)O","FVYCPABUPWTYEN-UHFFFAOYSA-N",385633,NA,"PDBC43462","676979","Present",NA,NA
+"43463","N-[Diphenylphosphanyl-(4-nitrophenyl)methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Diphenylphosphanyl-(4-nitrophenyl)methyl]aniline",NA,"C1=CC=C(C=C1)NC(C2=CC=C(C=C2)[N+](=O)[O-])P(C3=CC=CC=C3)C4=CC=CC=C4","CILRABUVKRASLQ-UHFFFAOYSA-N",392524,NA,"PDBC43463","693040","Present",NA,NA
+"43464","N-[Furan-2-carbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Furan-2-carbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide",NA,"C1=CC(=CN=C1)CN(C(=O)C2=CC=CO2)C(=S)N(CC3=CN=CC=C3)C(=O)C4=CC=CO4","GMOGAOHWCSSMDD-UHFFFAOYSA-N",401377,NA,"PDBC43464","714689","Present",NA,NA
+"43465","N-[N-(4-Chlorophenyl)sulfonyl-S-(trichloromethyl)sulfinimidoyl]butanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[N-(4-Chlorophenyl)sulfonyl-S-(trichloromethyl)sulfinimidoyl]butanamide",NA,"CCCC(=O)NS(=NS(=O)(=O)C1=CC=C(C=C1)Cl)C(Cl)(Cl)Cl","JPMNPILHPSZMQU-UHFFFAOYSA-N",6101992,NA,"PDBC43465","657925","Present",NA,NA
+"43466","N-[N-Benzoyl-S-(trichloromethyl)sulfinimidoyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[N-Benzoyl-S-(trichloromethyl)sulfinimidoyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NS(=NC(=O)C2=CC=CC=C2)C(Cl)(Cl)Cl","PRXZNQAZBSDMHG-UHFFFAOYSA-N",376807,NA,"PDBC43466","657924","Present",NA,NA
+"43467","N-[N-[(4-Methylphenylsulfonyl)carbamoyl]glycyl]glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-(p-Tolylsulfonylcarbamoylamino)acetyl]amino]acetic acid",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NCC(=O)NCC(=O)O","HJIMURZMWUDSJM-UHFFFAOYSA-N",395830,NA,"PDBC43467","700722","Present",NA,NA
+"43468","N-[Naphthalene-2-carbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Naphthalene-2-carbonyl(pyridin-3-ylmethyl)carbamothioyl]-N-(pyridin-3-ylmethyl)naphthalene-2-carboxamide",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)N(CC3=CN=CC=C3)C(=S)N(CC4=CN=CC=C4)C(=O)C5=CC6=CC=CC=C6C=C5","FKQDZWXWIFDFOD-UHFFFAOYSA-N",401376,NA,"PDBC43468","714688","Present",NA,NA
+"43469","N-[Phenoxy-(4-phenylpiperazin-1-yl)phosphoryl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Phenoxy-(4-phenylpiperazin-1-yl)phosphoryl]aniline",NA,"C1CN(CCN1C2=CC=CC=C2)P(=O)(NC3=CC=CC=C3)OC4=CC=CC=C4","GJNCOCUVBWFFTR-UHFFFAOYSA-N",382333,NA,"PDBC43469","669802","Present",NA,NA
+"43470","N-[Tert-butyl(diphenyl)silyl]-3-methylbut-3-en-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Tert-butyl(diphenyl)silyl]-3-methylbut-3-en-1-amine",NA,"CC(=C)CCN[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C","LPYDSTRNMMVAGH-UHFFFAOYSA-N",357662,NA,"PDBC43470","617179","Present",NA,NA
+"43471","N-[Tert-butyl(diphenyl)silyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Tert-butyl(diphenyl)silyl]aniline",NA,"CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)NC3=CC=CC=C3","AIKSMMLNGGYBNN-UHFFFAOYSA-N",357661,NA,"PDBC43471","617178","Present",NA,NA
+"43472","N-[[(1R,2S,10R,12R,13S)-12-Cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[(1R,2S,10R,12R,13S)-12-Cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoline-2-c",NA,"CC1=C(C2=C(C(N3C(C2)C4C5=C(CC(C3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)C6=NC7=CC=CC=C7C=C6)C(=C1OC)O)OC","MJTJFOMHOQENRK-RIOXTBHYSA-N",405320,NA,"PDBC43472","722517","Present",NA,NA
+"43473","N-[[(1R,2S,10R,12R,13S)-12-Cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoxaline-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[(1R,2S,10R,12R,13S)-12-Cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl]methyl]quinoxaline-2",NA,"CC1=C(C2=C(C(N3C(C2)C4C5=C(CC(C3C#N)N4C)C(=C(C(=C5O)OC)C)OC)CNC(=O)C6=NC7=CC=CC=C7N=C6)C(=C1OC)O)OC","HCPZOHBMACPTFR-DJNSEWAMSA-N",405321,NA,"PDBC43473","722518","Present",NA,NA
+"43474","N-[[(1S,2S,4R,7E,11S)-4-Methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]-2-[4-(2-methylpropyl)phenyl]propanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-isobutylphenyl)-N-(((1aR,7aS,10aS,10bS,E)-1a-methyl...",NA,"CC(C)CC1=CC=C(C=C1)C(C)C(=O)NCC2=CCCC3(C(O3)C4C(CC2)C(=C)C(=O)O4)C","MHWDIEYCBPYGLO-WGXNNALFSA-N",155810677,NA,"PDBC43474","797586","Present",NA,NA
+"43475","N-[[(3As,5R,6aS)-6a-methoxy-2-oxo-3,3a,5,6-tetrahydro-1H-furo[2,3-d]imidazol-5-yl]methyl]-1H-pyrrole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9R,11S,15S)-1H-Pyrrole-2-carboxylic acid (6a-methoxy-2-...",NA,"COC12CC(OC1NC(=O)N2)CNC(=O)C3=CC=CN3","IZKNAUHOOGPZGV-VHRDEZTHSA-N",405755,NA,"PDBC43475","723331","Present",NA,NA
+"43476","N-[[1-[[(1S,2S,4R,7E,11S)-4-Methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl]triazol-4-yl]methyl]-1H-indole-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-((1-(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-ox...",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CN4C=C(N=N4)CNC(=O)C5=CC6=CC=CC=C6N5","DOWKNGNQCMTJEP-PLXOQMDXSA-N",155812377,NA,"PDBC43476","800508","Present",NA,NA
+"43477","N-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[2-(3-Benzyl-6-iodo-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]formamide",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)N=C2SCC(=O)NNC=O","JQSGMHOAVWZCKE-UHFFFAOYSA-N",402031,NA,"PDBC43477","715726","Present",NA,NA
+"43478","N-[[3-(Diethylaminomethyl)-2-methyl-1,3-dihydroisoindol-1-yl]methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[3-(Diethylaminomethyl)-2-methyl-1,3-dihydroisoindol-1-yl]methyl]aniline",NA,"CCN(CC)CC1C2=CC=CC=C2C(N1C)CNC3=CC=CC=C3","BFTKLTXWDUKHIE-UHFFFAOYSA-N",360767,NA,"PDBC43478","623107","Present",NA,NA
+"43479","N-[[3-Cyano-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]carbamothioyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[3-Cyano-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydroquinolin-2-yl]carbamothioyl]benzamide",NA,"COC1=C(C=C(C=C1)C2=C(C(=NC3=C2CCCC3)NC(=S)NC(=O)C4=CC=CC=C4)C#N)OC","SIGKLNVIHCJFFP-UHFFFAOYSA-N",3004992,NA,"PDBC43479","667073","Present",NA,NA
+"43480","N-[[3-[[Acetyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[3-[[Acetyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)acetamide",NA,"CCC(C#N)N(CC1=CC(=CC=C1)CN(C(CC)C#N)C(=O)C)C(=O)C","UOONXSFQZJSYHA-UHFFFAOYSA-N",387719,NA,"PDBC43480","681748","Present",NA,NA
+"43481","N-[[4,6-Bis(trifluoromethyl)-5H-pyrimidin-2-ylidene]amino]-5,6-diphenyl-1,2,4-triazin-3-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{2-[4,6-Bis(trifluoromethyl)pyrimidin-2(5h)-ylidene]hydrazinyl}-5,6-diphenyl-1,2,4-triazine",NA,"C1C(=NC(=NNC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)N=C1C(F)(F)F)C(F)(F)F","UCEULQJGJGKBPQ-UHFFFAOYSA-N",360651,NA,"PDBC43481","622958","Present",NA,NA
+"43482","N-[[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl]-3-chloroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[4-(1,3-Benzothiazol-2-yl)phenyl]diazenyl]-3-chloroaniline",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)N=NNC4=CC(=CC=C4)Cl","HBYYXZVMFQWKQB-UHFFFAOYSA-N",402455,NA,"PDBC43482","716426","Present",NA,NA
+"43483","N-[[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[4-(3-Methyl-4,5-dihydrobenzo[g]indazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide",NA,"CC1=C2CCC3=CC=CC=C3C2=NN1C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC(=O)C5=CC=CC=C5","SJRXKSWWHYZWHC-UHFFFAOYSA-N",24203723,NA,"PDBC43483","729202","Present",NA,NA
+"43484","N-[[4-(3-Thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[4-(3-Thiophen-2-yl-3a,4-dihydro-3H-indeno[1,2-c]pyrazol-2-yl)phenyl]sulfonylcarbamothioyl]benzamide",NA,"C1C2C(N(N=C2C3=CC=CC=C31)C4=CC=C(C=C4)S(=O)(=O)NC(=S)NC(=O)C5=CC=CC=C5)C6=CC=CS6","FDWBXUKGRJIEII-UHFFFAOYSA-N",24204642,NA,"PDBC43484","732394","Present",NA,NA
+"43485","N-[[4-(5-Chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-[[[4-[(5-chloro-2-pyrimidinyl)oxy]-3- methy...",NA,"CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=NC=C(C=N3)Cl","SRCYRSNCOKJWQQ-UHFFFAOYSA-N",361501,NA,"PDBC43485","624545","Present",NA,NA
+"43486","N-[[4-(Diethylamino)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[4-(Diethylamino)phenyl]methyl]-6-methoxy-2-methylquinolin-4-amine",NA,"CCN(CC)C1=CC=C(C=C1)CNC2=C3C=C(C=CC3=NC(=C2)C)OC","DSLRVLCJIZGDPH-UHFFFAOYSA-N",224872,NA,"PDBC43486","13720","Present",NA,NA
+"43487","N-[[4-(Dimethylamino)benzylidene]amino]quinoline-3-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[4-(Dimethylamino)benzylidene]amino]quinoline-3-carboxamide",NA,"CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC3=CC=CC=C3N=C2","GCGOWNLWEBLUMU-CIAFOILYSA-N",5771657,NA,"PDBC43487","201868","Present",NA,NA
+"43488","N-[[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-[4-[Bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-2-(7-hydroxy-2-oxochromen-4-yl)acetamide",NA,"CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=O)CC2=CC(=O)OC3=C2C=CC(=C3)O","WCRKUBGTWMEDDH-VULFUBBASA-N",5351196,NA,"PDBC43488","79688","Present",NA,NA
+"43489","N-[[4-[[Benzoyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[4-[[Benzoyl(1-cyanopropyl)amino]methyl]phenyl]methyl]-N-(1-cyanopropyl)benzamide",NA,"CCC(C#N)N(CC1=CC=C(C=C1)CN(C(CC)C#N)C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","TYYWABLLBGNNPH-UHFFFAOYSA-N",387718,NA,"PDBC43489","681747","Present",NA,NA
+"43490","N-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[6-(4-Fluorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline",NA,"C1=CC=C(C=C1)NCC2=NN=C3N2N=C(S3)C4=CC=C(C=C4)F","XGHBFUDGNDUSIQ-UHFFFAOYSA-N",11198142,NA,"PDBC43490","726270","Present",NA,NA
+"43491","N-[[6-[5-(2,4-Dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[[6-[5-(2,4-Dichlorophenyl)furan-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]aniline",NA,"C1=CC=C(C=C1)NCC2=NN=C3N2N=C(S3)C4=CC=C(O4)C5=C(C=C(C=C5)Cl)Cl","ZPGMAVAIDYPCFG-UHFFFAOYSA-N",402008,NA,"PDBC43491","715697","Present",NA,NA
+"43492","N-[p-[N-(2,7-Triamino-6-pteriddinylmethyl)-N-methylamino]benzoyl]glutamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[p-[N-(2,4,7-triamino-6-pteriddinylmethyl)-N-methylami...",NA,"CN(CC1=C(N=C2C(=N1)C(=NC(=N2)N)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O","JXBQVTXBIDNTBV-UHFFFAOYSA-N",387951,NA,"PDBC43492","682306","Present",NA,NA
+"43493","N-acetonyl-N'-(2,4-dinitroanilino)acetamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-acetonyl-N'-(2,4-dinitroanilino)acetamidine",NA,"CC(=O)CN=C(C)NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","YZVTYCCWJNFIFV-UHFFFAOYSA-N",3840075,NA,"PDBC43493","664550","Present",NA,NA
+"43494","N-beta-Alanyl-5-S-glutathionyl-D-DOPA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-.beta.-alanyl-5-S-glutathionyl-D-DOPA",NA,"C1=C(C=C(C(=C1O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC(C(=O)O)NC(=O)CCN","YMBAJJVBBYVETD-LAGVYOHYSA-N",395373,NA,"PDBC43494","699854","Present",NA,NA
+"43495","N-beta-Alanyl-5-S-glutathionyl-L-DOPA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-.beta.-alanyl-5-S-glutathionyl-L-DOPA",NA,"C1=C(C=C(C(=C1O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)CC(C(=O)O)NC(=O)CCN","YMBAJJVBBYVETD-VYAYZGMFSA-N",395372,NA,"PDBC43495","699853","Present",NA,NA
+"43496","N-diethyl[?]amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-diethyl[?]amine",NA,"CCN=C1NC2=CC=CC=C2N3C4=C5C=CC=CC5=NN4N=C3N1CC","OUKNXUMCYXXGJK-UHFFFAOYSA-N",135409034,NA,"PDBC43496","655070","Present",NA,NA
+"43497","N-furfurylsalicylaldimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-furfurylsalicylaldimine",NA,"C1=CC=C(C(=C1)C=NCC2=CC=CO2)O","INBUCGHEKJIOHS-UHFFFAOYSA-N",362907,NA,"PDBC43497","627382","Present",NA,NA
+"43498","N-p-menth-1-en-8-ylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-p-menth-1-en-8-ylacetamide",NA,"CC1=CCC(CC1)C(C)(C)NC(=O)C","VEJCRBUNIYKDTJ-UHFFFAOYSA-N",379926,NA,"PDBC43498","665118","Present",NA,NA
+"43499","N-{(1E)-[4,5-Bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methylene}aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{(1E)-[4,5-Bis(1,3-benzodioxol-5-yl)-3-nitro-2-furyl]methylene}aniline",NA,"C1OC2=C(O1)C=C(C=C2)C3=C(OC(=C3[N+](=O)[O-])C=NC4=CC=CC=C4)C5=CC6=C(C=C5)OCO6","ORUOUIJHFYPWFD-UHFFFAOYSA-N",369731,NA,"PDBC43499","641826","Present",NA,NA
+"43500","N-{(1E)-[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methylene}aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{(1E)-[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methylene}aniline",NA,"COC1=C(C=C(C=C1)C2=C(OC(=C2[N+](=O)[O-])C=NC3=CC=CC=C3)C4=CC(=C(C=C4)OC)OC)OC","HNAYZJPMQRYDPB-UHFFFAOYSA-N",369732,NA,"PDBC43500","641827","Present",NA,NA
+"43501","N-{(7S)-10-[2,2-Bis(phenylcarbonyl)hydrazinyl]-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-7-yl}acetamide x 0.4 (Sodium monothiocarbamate monohydrate) x 0.2 Acetone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{(7S)-10-[2,2-Bis(phenylcarbonyl)hydrazinyl]-1,2,3-tri...",NA,"CC(=O)C.CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NN(C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC)OC)OC.C(=O)(N)S.O.[Na+]","SUVVKDBCRXUXKR-RQDDLXGZSA-N",60147571,NA,"PDBC43501","751652","Present",NA,NA
+"43502","N-{(7S)-10-[[(E)-2-s-trans]-2-Carbamothioyldiazenyl]-5,7,9-tetrahydro-1,2,3-trimethoxy-9-oxobenzo[a]heptalen-7-yl}acetamide hemihydrate . 0.333 (acetic acid) . 0.333 (sodium acetate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{(7S)-10-[[(E)-2-s-trans]-2-Carbamothioyldiazenyl]-5,6...",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N=NC(=S)N)OC)OC)OC.CC(=O)O.CC(=O)[O-].[Na+]","UDFWXBZMTOVYKW-CFZZCFLMSA-M",54613368,NA,"PDBC43502","751151","Present",NA,NA
+"43503","N-{(Z)-2-(1,3-Benzodioxol-5-yl)-1-[(2-phenylhydrazino)carbonyl]vinyl}benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{(Z)-2-(1,3-Benzodioxol-5-yl)-1-[(2-phenylhydrazino)carbonyl]vinyl}benzamide",NA,"C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NNC3=CC=CC=C3)NC(=O)C4=CC=CC=C4","OSEPBJOMVJGXKO-UYRXBGFRSA-N",5466767,NA,"PDBC43503","642631","Present",NA,NA
+"43504","N-{3-[(4-Chlorophenyl)sulfonyl]-4,5-dimethyl-2-furyl}acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{3-[(4-Chlorophenyl)sulfonyl]-4,5-dimethyl-2-furyl}acetamide",NA,"CC1=C(OC(=C1S(=O)(=O)C2=CC=C(C=C2)Cl)NC(=O)C)C","XDFYONPRVNMXGI-UHFFFAOYSA-N",393683,NA,"PDBC43504","696059","Present",NA,NA
+"43505","N-{3-[(E)-(Tert-Butoxyimino)methyl]-4-chlorophenyl}-2-methylthiophene-3-carbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{3-[(E)-(Tert-Butoxyimino)methyl]-4-chlorophenyl}-2-methylthiophene-3-carbothioamide",NA,"CC1=C(C=CS1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)(C)C","CUAFAPWAOHPDIJ-VXLYETTFSA-N",9554698,NA,"PDBC43505","668859","Present",NA,NA
+"43506","N-{4-[(1r,3s,5s)-3-Amino-5-Methylcyclohexyl]pyridin-3-Yl}-6-(2,6-Difluorophenyl)-5-Fluoropyridine-2-Carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LGH-447///PIM447",NA,"CC1CC(CC(C1)N)C2=C(C=NC=C2)NC(=O)C3=NC(=C(C=C3)F)C4=C(C=CC=C4F)F","VRQXRVAKPDCRCI-ZNMIVQPWSA-N",44814409,NA,"PDBC43506","794109///801006","Present",NA,NA
+"43507","N-{4-[(4Z)-4-(3,4-Dichlorobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{4-[(4Z)-4-(3,4-Dichlorobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=NC(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)O2","BGIQFOXWISVDGS-SXGWCWSVSA-N",5388407,NA,"PDBC43507","635825","Present",NA,NA
+"43508","N-{4-[(4Z)-4-(4-Chlorobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{4-[(4Z)-4-(4-Chlorobenzylidene)-5-oxo-4,5-dihydro-1,3-oxazol-2-yl]phenyl}acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)O2","ZXQMCHVVIDNZEW-YBEGLDIGSA-N",5388578,NA,"PDBC43508","637007","Present",NA,NA
+"43509","N-{4-[(Z)-(5-Oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl}acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{4-[(Z)-(5-Oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]phenyl}acetamide",NA,"CC(=O)NC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3","FAGABTXSCPNPKD-WJDWOHSUSA-N",5388013,NA,"PDBC43509","630882","Present",NA,NA
+"43510","N-{4-[3-(4-Chloro-phenyl)-acryloyl]-phenyl}-2-nitrooxy-acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{4-[3-(4-Chloro-phenyl)-acryloyl]-phenyl}-2-nitrooxy-a...",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)NC(=O)CO[N+](=O)[O-])Cl","SFSTUVDSNPSDTA-XCVCLJGOSA-N",57392326,NA,"PDBC43510","752178","Present",NA,NA
+"43511","N-{4-ferrocenyl-5,5-bis-(4-hydroxyphenyl)-pent-4-enyl}su...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{4-ferrocenyl-5,5-bis-(4-hydroxyphenyl)-pent-4-enyl}su...",NA,NA,NA,NA,NA,"PDBC43511","791461","Present",NA,NA
+"43512","N-{N-[Hydroxy(imino)methyl]carbamimidoyl}benzenecarboximidic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(E)-N'-Carbamoylcarbamimidoyl]benzamide",NA,"C1=CC=C(C=C1)C(=O)NC(=NC(=O)N)N","MOQFXIWOXJAZRA-UHFFFAOYSA-N",9561213,NA,"PDBC43512","32656","Present",NA,NA
+"43513","N-{[(1R,5R,8S,12R,13R)-1,5-Dimethyl-10(trifluoromethyl)-1 1,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-e n-9-yl}-N-{[1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-trifluorome thyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexa dec-9-en-9-yl]methyl}-N-methylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-{[(1R,4S,5R,8S,12R,13R)-1,5-dimethyl-10(trifluoromethy...",NA,"CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)CN(C)CC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F","UYOIXYZWHWFANV-OQVDRBNASA-N",54612638,NA,"PDBC43513","724777","Present",NA,NA
+"43514","N-{[(3-Fluoroanilino)carbonyl]oxy}butanimidoyl chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanimidoyl chloride, N-[[[(3-fluorophenyl)amino] carbo...",NA,"CCCC(=NOC(=O)NC1=CC(=CC=C1)F)Cl","VHYKGGYZKOXRQT-GDNBJRDFSA-N",9556253,NA,"PDBC43514","682831","Present",NA,NA
+"43515","6-Chloro-7-{[4-(chloromethyl)phenyl]methyl}-7H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N/A.",NA,"C1=CC(=CC=C1CN2C=NC3=C2C(=NC=N3)Cl)CCl","ZWJCVKMMYBZQLN-UHFFFAOYSA-N",24204506,NA,"PDBC43515","732087","Present",NA,NA
+"43516","N1'',N2''-Bis(4-aminophenyl)ethanediimidamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1'',N2''-bis(4-aminophenyl)oxalamidine",NA,"C1=CC(=CC=C1N)N=C(C(=NC2=CC=C(C=C2)N)N)N","INGGFJSDOBBHRR-UHFFFAOYSA-N",300631,NA,"PDBC43516","175743","Present",NA,NA
+"43517","N1,1-Benzenediamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1,N1-dimethyl-N4-(4-quinazolinyl)-4,1-benzenediamine hy...",NA,"CN(C)C1=CC=C(C=C1)NC2=NC=NC3=CC=CC=C32.Cl","NSEDPDAOSUJXCH-UHFFFAOYSA-N",18590528,NA,"PDBC43517","728121","Present",NA,NA
+"43518","N1,N12-Bis(trifluoroacetyl)-N4,N8-bis(t-butoxycarbonyl)spermine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[4-[(2-methylpropan-2-yl)oxycarbonyl-[3-[(2,2,2-trifluoroacetyl)amino]propyl]amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamate",NA,"CC(C)(C)OC(=O)N(CCCCN(CCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C)CCCNC(=O)C(F)(F)F","HOCFWFDAYHFZPF-UHFFFAOYSA-N",389641,NA,"PDBC43518","685983","Present",NA,NA
+"43519","N1,N2-Bis[(2-ethyl-6-methyl-phenyl)carbamothioyl]phthalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1,N2-Bis[(2-ethyl-6-methyl-phenyl)carbamothioyl]phthalamide",NA,"CCC1=CC=CC(=C1NC(=S)NC(=O)C2=CC=CC=C2C(=O)NC(=S)NC3=C(C=CC=C3CC)C)C","FXFKHEWTGSRENO-UHFFFAOYSA-N",3004259,NA,"PDBC43519","640958","Present",NA,NA
+"43520","N1,N2-Dimethyl-1,2-di(4-pyridinyl)-1,2-ethanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1,N2-Dimethyl-1,2-di(4-pyridinyl)-1,2-ethanediamine",NA,"CNC(C1=CC=NC=C1)C(C2=CC=NC=C2)NC","PQABABVPLVDKKK-UHFFFAOYSA-N",246671,NA,"PDBC43520","60036","Present",NA,NA
+"43521","N1,N4-Di(9H-fluoren-9-ylidene)-1,4-benzenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1,N4-Di(9H-fluoren-9-ylidene)-1,4-benzenediamine",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C2=NC4=CC=C(C=C4)N=C5C6=CC=CC=C6C7=CC=CC=C75","GCKQVENQMOTMOW-UHFFFAOYSA-N",408275,NA,"PDBC43521","12339","Present",NA,NA
+"43522","N1,N8-Diacetylspermidine (hydrochloride)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685959",NA,"CC(=O)NCCCCNCCCNC(=O)C.Cl","RWKXLCKGDFFGNU-UHFFFAOYSA-N",389612,NA,"PDBC43522","685959","Present",NA,NA
+"43523","N1-((4-Hydroxy-6-methyl-2-pyrimidinyl)methyl)-N3-((6-hydroxy-2-methyl-4-pyrimidinyl)methyl)isophthalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N-[(2-Methyl-6-oxo-1H-pyrimidin-4-yl)methyl]-3-N-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methyl]benzene-1,3-dicarboxamide",NA,"CC1=CC(=O)NC(=N1)CNC(=O)C2=CC=CC(=C2)C(=O)NCC3=CC(=O)NC(=N3)C","WBXPQDZEMBHSEX-UHFFFAOYSA-N",135494840,NA,"PDBC43523","636380","Present",NA,NA
+"43524","N1-(1,3-Benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxy}acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(E)-3-oxo-3-(...",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=CC=CC=C4S3","NAEVBAVXKKZMAT-PKNBQFBNSA-N",60148068,NA,"PDBC43524","753575","Present",NA,NA
+"43525","N1-(1,3-Benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxy}acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(1,3-benzothiazol-2-yl)-2-{2-methoxy-5-[(Z)-2-(3,4,5-...",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=CC=CC=C4S3","CAMQCEMRQLZRGR-KTKRTIGZSA-N",60143342,NA,"PDBC43525","753574","Present",NA,NA
+"43526","N1-(2,9,12-Trioxa-3,16-diazanonadecan-19-yl)-N1-methyl-N3-(2-(naphthalen-2-yl)quinolin-4-yl)propane-1,3-diaminium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(2,15-dioxo-1-(pyren-1-yl)-6,9,12-trioxa-3,16-diazano...",NA,"CN(CCCNC1=CC(=NC2=CC=CC=C21)C3=CC4=CC=CC=C4C=C3)CCCNC(=O)CCOCCOCCOCCNC(=O)CC5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5.Br","ZCBYCWITATWYRM-UHFFFAOYSA-N",54613693,NA,"PDBC43526","749673","Present",NA,NA
+"43527","N1-(2-Methyl-1,3-benzothiazol-6-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(2-methyl-1,3-benzothiazol-6-yl)-2-2-methoxy-5-[(Z)-2...",NA,"CC1=NC2=C(S1)C=C(C=C2)NC(=O)COC3=C(C=CC(=C3)C=CC4=CC(=C(C(=C4)OC)OC)OC)OC","NBXGDDJJVCFXFJ-SREVYHEPSA-N",60148080,NA,"PDBC43527","753587","Present",NA,NA
+"43528","N1-(2-Methyl-2-propenyl)-1,2-ethanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(2-Methyl-2-propenyl)-1,2-ethanediamine",NA,"CC(=C)CNCCN","DDOHLBXQNUTMBP-UHFFFAOYSA-N",224772,NA,"PDBC43528","13545","Present",NA,NA
+"43529","N1-(3,4,5-Trimethoxybenzylidene)-3-methoxyaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_006080",NA,"COC1=CC=CC(=C1)N=CC2=CC(=C(C(=C2)OC)OC)OC","OWNSQEXUMSVPCP-UHFFFAOYSA-N",396380,NA,"PDBC43529","702333","Present",NA,NA
+"43530","N1-(3-Chloro-4-methoxyphenyl)-2-[1-benzyl-4-(3-bromoanilino)-2,5-dihydro-1H-3-pyrrolylsulfanyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(3-chloro-4-methoxyphenyl)-2-[1-benzyl-4-(3-bromoanil...",NA,"COC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=O)N(C2=O)CC3=CC=CC=C3)NC4=CC(=CC=C4)Br)Cl","NDBPJEPXBPJCJK-UHFFFAOYSA-N",1179944,NA,"PDBC43530","732974","Present",NA,NA
+"43531","N1-(3-Chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dihyd ro-1H-3-pyrrolylamino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(3-chlorophenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,5-d...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)Cl","VVEZBISVCZRHRF-UHFFFAOYSA-N",1194861,NA,"PDBC43531","732820","Present",NA,NA
+"43532","N1-(3-Phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Maybridge1_004665",NA,"C1=CC=C(C=C1)C2=CC(=NN2)NC(=O)C3=CC=C(C=C3)Cl","MCEUEMILDHFTQG-UHFFFAOYSA-N",339736,NA,"PDBC43532","367480","Present",NA,NA
+"43533","N1-(3-Trifluoromethylphenyl)-3-(1-benzyl-4-chloro-2,5-dihydro-1H-3-pyrrolylamino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(3-trifluoromethylphenyl)-3-(1-benzyl-4-chloro-2,5-di...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F","PPPNGPXWHKFCOP-UHFFFAOYSA-N",1194866,NA,"PDBC43533","732822","Present",NA,NA
+"43534","N1-(4-Piperidinylmethyl)-1,2-ethanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(4-Piperidinylmethyl)-1,2-ethanediamine",NA,"C1CNCCC1CNCCN","VOOQJHYXJMACQI-UHFFFAOYSA-N",252485,NA,"PDBC43534","74472","Present",NA,NA
+"43535","N1-(4-Sulfamoylphenyl)-3-(1-benzyl-4-chloro-2,5-di hydro-1H-3-pyrrolylamino)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(4-sulfamoylphenyl)-3-(1-benzyl-4-chloro-2,5-dioxo-2,...",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N","XVTAYNAPIJFSHK-UHFFFAOYSA-N",1194898,NA,"PDBC43535","732849","Present",NA,NA
+"43536","N1-(6-Chloro-4-quinazolinyl)-1,2-ethanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(6-Chloro-4-quinazolinyl)-1,2-ethanediamine",NA,"C1=CC2=C(C=C1Cl)C(=NC=N2)NCCN","HYMRIWWOGDIJHF-UHFFFAOYSA-N",242955,NA,"PDBC43536","52075","Present",NA,NA
+"43537","N1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3...",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)F","VLEFCFBASOATKN-WEVVVXLNSA-N",60148070,NA,"PDBC43537","753577","Present",NA,NA
+"43538","N1-(6-Fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(6-fluoro-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2...",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)F","NVCOJLRZIWTYDP-WAYWQWQTSA-N",60148069,NA,"PDBC43538","753576","Present",NA,NA
+"43539","N1-(6-Methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-3-oxo-3-(3,4,5-trimethoxyphenyl)-1-propenyl]phenoxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(E)-...",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=CC(=C3)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC","QYNSMTLYYMKJEP-UXBLZVDNSA-N",60148072,NA,"PDBC43539","753579","Present",NA,NA
+"43540","N1-(6-Methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)-1-ethenyl]phenoxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-2-methoxy-5-[(Z)-...",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=C(C=CC(=C3)C=CC4=CC(=C(C(=C4)OC)OC)OC)OC","VSXBADKKRGHCLJ-SREVYHEPSA-N",60148071,NA,"PDBC43540","753578","Present",NA,NA
+"43541","N1-(6-Methoxy-1,5-dioxo-10-phenyl-5,10-dihydro-5-benzo[e][1,2,4]triazolo[4,3-b][1,2,4]thiadiazin-3-yl)sulfanyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(6-methoxy-1,3-benzothiazol-2-yl)-2-[(5,5-dioxo-10-ph...",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC3=NN=C4N3S(=O)(=O)C5=CC=CC=C5N4C6=CC=CC=C6","SBVXHZZEZANPCO-UHFFFAOYSA-N",42643013,NA,"PDBC43541","743435","Present",NA,NA
+"43542","N1-(7-Chloro-1,2,3,4-tetrahydro-9-acridinyl)-N3,N3-dimethyl-1,3-propanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(7-Chloro-1,2,3,4-tetrahydro-9-acridinyl)-N3,N3-dimethyl-1,3-propanediamine",NA,"CN(C)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)Cl","SGFKZQRIWFBYKO-UHFFFAOYSA-N",239932,NA,"PDBC43542","45730","Present",NA,NA
+"43543","N1-(7-Chloro-4-quinolinyl)-N2-cyclohexyl-1,2-ethanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(7-Chloro-4-quinolinyl)-N2-cyclohexyl-1,2-ethanediamine",NA,"C1CCC(CC1)NCCNC2=C3C=CC(=CC3=NC=C2)Cl","IUBMTYVIPGXROV-UHFFFAOYSA-N",224506,NA,"PDBC43543","13028","Present",NA,NA
+"43544","N1-Benzylidene-N4-(7-chloroquinolin-4-yl) butane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-benzylidene-N4-(7-chloroquinolin-4-yl) butane-1,4-dia...",NA,"C1=CC=C(C=C1)C=NCCCCNC2=C3C=CC(=CC3=NC=C2)Cl","RIZOFCFQSDJSSP-UHFFFAOYSA-N",380062,NA,"PDBC43544","665363","Present",NA,NA
+"43545","N1-[4-(1,3,5,11a-Tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxypentanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-[4-(1,3-benzothiazol-2-yl)phenyl]-5-[(11aS)-7-methoxy...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCC(=O)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6S5","OSFALCKEXXJRRF-QFIPXVFZSA-N",45028395,NA,"PDBC43545","742412","Present",NA,NA
+"43546","N1-[4-Chloro-2-(2-chlorObenzoyl)phenyl]-2-[4-(2-pyrimidinyl)piperazino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pyrimidi...",NA,"C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C4=NC=CC=N4","GYSNKHLVKQRUNC-UHFFFAOYSA-N",24206026,NA,"PDBC43546","737734","Present",NA,NA
+"43547","N1-[4-Chloro-2-(2-chloro benzyol)phenyl]-2-[4-(4-quinazolinyl)piperazino)acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-[ 4-chloro-2-(2-chloro benzyol)phenyl]-2-[4-(4-quinaz...",NA,"C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C4=NC=NC5=CC=CC=C54","AOUYGWBNVDGMES-UHFFFAOYSA-N",25030791,NA,"PDBC43547","742258","Present",NA,NA
+"43548","N1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-furylcarbonyl)piperazino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-  furylc...",NA,"C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C(=O)C4=CC=CO4","NVLNOHDEOSDLHX-UHFFFAOYSA-N",45028671,NA,"PDBC43548","743640","Present",NA,NA
+"43549","N1-[4-Chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pyridyl)piperazino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-2-[4-(2-pheridyl...",NA,"C1CN(CCN1CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3Cl)C4=CC=CC=N4","UFXUUMCOBAZHNF-UHFFFAOYSA-N",24206025,NA,"PDBC43549","737733","Present",NA,NA
+"43550","N1-[4-Chloro-2-(2-chlorobenzyl)phenyl]-2-[4-(5-[-(11aS)-7-methoxy-5-oxo-2,5,11a,-tetrahydro-1H-benzo[e]pyrrolo[1,2-a] [1,4]diazepin-8-yl]oxybutyl)piperazino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-[4-chloro-2-(2-chlorobenzyl)phenyl]-2-[4-(5-[-(11aS)-...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6Cl","ZLTJRBWBVYPAME-UHFFFAOYSA-N",45028541,NA,"PDBC43550","743122","Present",NA,NA
+"43551","N1-[4-Chloro-2-(2-cholrobenzoyl)phenyl]-2-[4-(6-[(11aS)-7-methoxy-5-oxo-2,5,11a-tetrahydro-1H-benzo[e]pyrrolo[1,2-a][1,4]diazepin-8-yl]oxyhexyl)piperazino]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-[4-chloro-2-(2-cholrobenzoyl)phenyl]-2-[4-(6-[(11aS)-...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCCN4CCN(CC4)CC(=O)NC5=C(C=C(C=C5)Cl)C(=O)C6=CC=CC=C6Cl","OVOQKQFNIMCAPH-UHFFFAOYSA-N",45028547,NA,"PDBC43551","743134","Present",NA,NA
+"43552","N1-[6-(Trifluoromethyl)-1,3-benzothiazol-2-yl]-2-5-[1-acetyl-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1H-5-pyrazolyl]-2-methoxyphenoxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]-2-5-[1-ac...",NA,"CC(=O)N1C(CC(=N1)C2=CC(=C(C(=C2)OC)OC)OC)C3=CC(=C(C=C3)OC)OCC(=O)NC4=NC5=C(S4)C=C(C=C5)C(F)(F)F","CTDNMZSCKGWXBZ-UHFFFAOYSA-N",60148079,NA,"PDBC43552","753586","Present",NA,NA
+"43553","N1-hydrazino-(imino)-methyl-1,6-hexanediamine and N1-ami...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-hydrazino-(imino)-methyl-1,6-hexanediamine and N1-ami...",NA,NA,NA,NA,NA,"PDBC43553","798016","Present",NA,NA
+"43554","N1=C2C=CC=CN2C2=C1C1=CC=C(N)C=C1C(=O)C2=O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-amino-naphtho[1',2':4,5]-imidazo[1,2-a]pyridine-5,6-dione",NA,"C1=CC2=NC3=C(N2C=C1)C(=O)C(=O)C4=C3C=CC(=C4)N","BRUWZCBQFFTVMD-UHFFFAOYSA-N",70287067,NA,"PDBC43554","795137","Present",NA,NA
+"43555","N1=CN=C2NC=NC2=C1C=1C(=NC=CC=1)NC=1C=CC(=C(C=1)NC(C1=CC(=CC(=C1)F)C(C)(C)C#N)=O)F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(Cyano-dimethyl-methyl)-5-fluoro-N-{2-fluoro-5-[3-(9H-...",NA,"CC(C)(C#N)C1=CC(=CC(=C1)C(=O)NC2=C(C=CC(=C2)NC3=C(C=CC=N3)C4=C5C(=NC=N4)N=CN5)F)F","NHEUWKUXYSBVSF-UHFFFAOYSA-N",130321838,NA,"PDBC43555","791135","Present",NA,NA
+"43556","N2,3]Thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2,N3-di(4-fluorophenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo...",NA,"CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)F","BGSYOYUBPHBJFH-UHFFFAOYSA-N",1426143,NA,"PDBC43556","743219","Present",NA,NA
+"43557","N2,N4,N6-Tribenzoyloxy-methyl-N2,N4,N6-trimethylmelamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2,N4,N6-Tribenzoyloxy-methyl-N2,N4,N6-trimethylmelamine",NA,"CN(COC(=O)C1=CC=CC=C1)C2=NC(=NC(=N2)N(C)COC(=O)C3=CC=CC=C3)N(C)COC(=O)C4=CC=CC=C4","WEBQKVQHTMTCHV-UHFFFAOYSA-N",362185,NA,"PDBC43557","625774","Present",NA,NA
+"43558","N2,N4,N6-Triisobutyryloxymthyl-N2,N4,N6-trimethylmelamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2,N4,N6-Triisobutyryloxymthyl-N2,N4,N6-trimethylmelamine",NA,"CC(C)C(=O)OCN(C)C1=NC(=NC(=N1)N(C)COC(=O)C(C)C)N(C)COC(=O)C(C)C","ZSXOANIPCHTAHO-UHFFFAOYSA-N",362524,NA,"PDBC43558","626551","Present",NA,NA
+"43559","N2,N4,N6-Tripivaloyloxymethyl-N2,N4,N6-trimethylmelamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2,N4,N6-Tripivaloyloxymethyl-N2,N4,N6-trimethylmelamine",NA,"CC(C)(C)C(=O)OCN(C)C1=NC(=NC(=N1)N(C)COC(=O)C(C)(C)C)N(C)COC(=O)C(C)(C)C","MIHXHXSBWFLLEV-UHFFFAOYSA-N",362525,NA,"PDBC43559","626552","Present",NA,NA
+"43560","N2,N4,N6-Tripropionyloxy-methyl-N2,N4,N6-trimethylmelamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2,N4,N6-Tripropionyloxy-methyl-N2,N4,N6-trimethylmelamine",NA,"CCC(=O)OCN(C)C1=NC(=NC(=N1)N(C)COC(=O)CC)N(C)COC(=O)CC","JXPJDCWDHZVTRP-UHFFFAOYSA-N",362184,NA,"PDBC43560","625773","Present",NA,NA
+"43561","N2-(3,5,7-Triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-(3,4-Dichloro-benzyl)-3-phenyl-quinoxaline-2,5,7-tria...",NA,"C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3N=C2NCCC4=CC(=C(C=C4)Cl)Cl)N)N","MRJUELJRHRZODX-UHFFFAOYSA-N",45028195,NA,"PDBC43561","741584","Present",NA,NA
+"43562","N2-(3,6,8-Triamin e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-(3,4-Dichloro-phenyl)-N2-methyl-quinoxaline-2,6,8-tri...",NA,"CN(C1=CC(=C(C=C1)Cl)Cl)C2=NC3=C(C=C(C=C3N=C2)N)N","CAOTUSNTLOUUQX-UHFFFAOYSA-N",24205960,NA,"PDBC43562","737516","Present",NA,NA
+"43563","N2-(4 Methoxybenzyl)quinoxaline-2,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-(4 methoxybenzyl)quinoxaline-2,7-diamine",NA,"COC1=CC=C(C=C1)CNC2=CN=C3C=CC(=CC3=N2)N","HGNIQGQDVVWNGE-UHFFFAOYSA-N",374665,NA,"PDBC43563","652765","Present",NA,NA
+"43564","N2-(4-Fluorophenyl)-N3-(2-methoxyphenyl)-5-oxo-7-propyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-2,3-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-(4-fluorophenyl)-N3-(2-methoxyphenyl)-5-oxo-7-propyl-...",NA,"CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4OC","FLDJSHYBVUQNBH-UHFFFAOYSA-N",1426145,NA,"PDBC43564","743220","Present",NA,NA
+"43565","N2-Benzoyl-2',3'-dideoxyguanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-Benzoyl-2',3'-dideoxyguanosine",NA,"C1CC(OC1CO)N2C=NC3=C2N=C(N(C3=O)C(=O)C4=CC=CC=C4)N","YOXFWAONAZHRBJ-UHFFFAOYSA-N",369275,NA,"PDBC43565","641006","Present",NA,NA
+"43566","N2-Isobutyrylguanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N2-Isobutyrylguanine",NA,"CC(C)C(=O)NC1=NC2=C(C(=O)N1)NC=N2","CFIBTBBTJWHPQV-UHFFFAOYSA-N",135437285,NA,"PDBC43566","637538","Present",NA,NA
+"43567","N3,N5-Dibenzyl-4-(2-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3,N5-Dibenzyl-4-(2-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=CC=C3[N+](=O)[O-])C(=O)NCC4=CC=CC=C4","CFFDFSVZANORFE-UHFFFAOYSA-N",366927,NA,"PDBC43567","636091","Present",NA,NA
+"43568","N3,N5-Dibenzyl-4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3,N5-Dibenzyl-4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=CO3)C(=O)NCC4=CC=CC=C4","XYIGLVQYHIYYNZ-UHFFFAOYSA-N",366859,NA,"PDBC43568","635838","Present",NA,NA
+"43569","N3-(4-Chloro-3-methylphenyl)-N2-(4-fluorophenyl)-5-oxo-7-pro pyl-5H-[1,2-a]pyrimidine-2,3-dicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3-(4-chloro-3-methylphenyl)-N2-(4-fluorophenyl)-5-oxo-7...",NA,"CCCC1=CC(=O)N2C(=C(SC2=N1)C(=O)NC3=CC=C(C=C3)F)C(=O)NC4=C(C=C(C=C4)Cl)C","XRBGBMZQHJUDGO-UHFFFAOYSA-N",1426152,NA,"PDBC43569","743221","Present",NA,NA
+"43570","N3-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(2,4-dichloroanilino)nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3-(6-fluoro-1,3-benzothiazol-2-yl)-2-(2,4-dichloroanili...",NA,"C1=CC(=C(N=C1)NC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)F","MUTWCPNKQZWAJS-UHFFFAOYSA-N",54612772,NA,"PDBC43570","748856","Present",NA,NA
+"43571","N3-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyanilino)nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3-(6-fluoro-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxya...",NA,"COC1=CC(=CC(=C1OC)OC)NC2=C(C=CC=N2)C(=O)NC3=NC4=C(S3)C=C(C=C4)F","UDEZJHFKYPHLQR-UHFFFAOYSA-N",54613686,NA,"PDBC43571","748854","Present",NA,NA
+"43572","N3-(6-Fluoro-1,3-benzothiazol-2-yl)-2-(4-chloroanilino)nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3-(6-fluoro-1,3-benzothiazol-2-yl)-2-(4-chloroanilino)n...",NA,"C1=CC(=C(N=C1)NC2=CC=C(C=C2)Cl)C(=O)NC3=NC4=C(S3)C=C(C=C4)F","SZMPIKKCAUKFAD-UHFFFAOYSA-N",54612773,NA,"PDBC43572","748857","Present",NA,NA
+"43573","N3-(6-Methoxy-1,4,5-trimethoxyanilino)nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3-(6-methoxy-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxy...",NA,"COC1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(N=CC=C3)NC4=CC(=C(C(=C4)OC)OC)OC","QMVQZOPOAYGRAJ-UHFFFAOYSA-N",54612978,NA,"PDBC43573","748084","Present",NA,NA
+"43574","N4,N4-Diisobutyl-6-methyl-4-quinazolinamine diisobutyl(6-methyl-4-quinazolinyl)amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4,N4-diisobutyl-6-methyl-4-quinazolinamine diisobutyl(6...",NA,"CC1=CC2=C(C=C1)N=CN=C2N(CC(C)C)CC(C)C.Cl","HCIQMRMHTMEDMQ-UHFFFAOYSA-N",18558695,NA,"PDBC43574","727846","Present",NA,NA
+"43575","N4,N8-Diphenylthieno[2,3-f]benzothiophene-4,8-diimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000404",NA,"C1=CC=C(C=C1)N=C2C3=C(C(=NC4=CC=CC=C4)C5=C2SC=C5)SC=C3","SWVMSZWCAUYRDW-UHFFFAOYSA-N",381596,NA,"PDBC43575","668405","Present",NA,NA
+"43576","N4-(3-Methoxyphenyl)-2-(1-ethylpropyl)-4-quinazolinamine 2-(1-ethylpropyl)-4-quinazolinyl(3-methoxyphenyl)amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(3-methoxyphenyl)-2-(1-ethylpropyl)-4-quinazolinamine...",NA,"CCC(CC)C1=NC2=CC=CC=C2C(=N1)NC3=CC(=CC=C3)OC","GWYMWLBAIOQNDQ-UHFFFAOYSA-N",729549,NA,"PDBC43576","730026","Present",NA,NA
+"43577","N4-(4-Chlorophenyl)-4-quinazolinamine 4-chlorophenyl(4-quinazolinyl)amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(4-chlorophenyl)-4-quinazolinamine 4-chlorophenyl(4-q...",NA,"C1=CC=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)Cl.Cl","PWDJVJUBLDNKLF-UHFFFAOYSA-N",2789325,NA,"PDBC43577","728115","Present",NA,NA
+"43578","N4-(6-Methoxy-8-quinolinyl)-1,phosphate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-(6-Methoxy-8-quinolinyl)-1,4-hexanediamine,phosphate ...",NA,"CCC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O","NJLGTKFFCDBOGZ-UHFFFAOYSA-N",380141,NA,"PDBC43578","665545","Present",NA,NA
+"43579","N4-(6-Methoxyquinolin-8-yl)pentane-1,4-diamine phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"primaquine phosphate///Primaquine diphosphate",NA,"CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2.OP(=O)(O)O","RKFFPTPBADAVDU-UHFFFAOYSA-N",359247,NA,"PDBC43579","149765///619961","Present",NA,NA
+"43580","N4-Octadecylcytarabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"noac",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)O","HQHQCEKUGWOYPS-UHFFFAOYSA-N",389286,NA,"PDBC43580","685096","Present",NA,NA
+"43581","N4-Octadeyl-arabinocytidylyl-(5'.fwdarw.5')-5-fluoro-2'-deoxy uridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-octadeyl-arabinocytidylyl-(5'.fwdarw.5')-5-fluoro-2'-...",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O)O)O","ABPZZJZNSURGGM-UHFFFAOYSA-N",405222,NA,"PDBC43581","722308","Present",NA,NA
+"43582","N5-(Phosphonomethyl)-d-glutamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672918",NA,"C(CC(=O)NCP(=O)(O)O)C(C(=O)O)N","GWOPGJQZELPHHS-SCSAIBSYSA-N",383954,NA,"PDBC43582","672918","Present",NA,NA
+"43583","N6,N6,N8,N8-Tetraethylthieno[3,4-f]pentathiepine-6,8-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,N?,N?-Tetraethyl-thieno[3,4-f][1,2,3,4,5]pentathiepi...",NA,"CCN(CC)C1=C2C(=C(S1)N(CC)CC)SSSSS2","USFSNINESMUBSY-UHFFFAOYSA-N",406615,NA,"PDBC43583","724855","Present",NA,NA
+"43584","N6-(2-Methoxyphenyl)-5-methyl-4-oxo-3-(2-phenoxyethyl)-3,3-d]pyrimidine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N6-(2-methoxyphenyl)-5-methyl-4-oxo-3-(2-phenoxyethyl)-3...",NA,"CC1=C(SC2=C1C(=O)N(C=N2)CCOC3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC","XYCHMKDCYAZVRU-UHFFFAOYSA-N",1178182,NA,"PDBC43584","730214","Present",NA,NA
+"43585","N6-(4-Methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitropyridine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N6-(4-methylpyridin-2-yl)-N2-(2-morpholinoethyl)-3-nitro...",NA,"CC1=CC(=NC=C1)NC2=NC(=C(C=C2)[N+](=O)[O-])NCCN3CCOCC3","OAEWOLLUOVFYIT-UHFFFAOYSA-N",155804527,NA,"PDBC43585","780958","Present",NA,NA
+"43586","N6-Benzyladenosine-5'-phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N6-Benzyladenosine-5'-phosphate",NA,"C1=CC=C(C=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O","DWVANBHPEPSMOV-UHFFFAOYSA-N",318601,NA,"PDBC43586","255523","Present",NA,NA
+"43587","N6-Isopentenyladenosine-5'-monophosphate sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC268226",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)C","DUISZFLWBAPRBR-UHFFFAOYSA-N",320410,NA,"PDBC43587","268226","Present",NA,NA
+"43588","N6-Phenyl-3-(3-chlorobenzyl)-5-methyl-4-oxo-3,3-d]pyrimidine-6-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N6-phenyl-3-(3-chlorobenzyl)-5-methyl-4-oxo-3,4-dihydrot...",NA,"CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4","KLTUIJIOSGTWOY-UHFFFAOYSA-N",1191776,NA,"PDBC43588","732903","Present",NA,NA
+"43589","N8-Actinomycin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N8-Actinomycin D",NA,"CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C(C(=O)C(=C4C3=NC5=C(O4)C(=CN=C5C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)C)C)N","DVAQENANCBGZCP-UHFFFAOYSA-N",383040,NA,"PDBC43589","671030","Present",NA,NA
+"43590","N9,N10-Diphenylthiazolo[3,2-a]perimidine-9,10-diimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N9,N10-Diphenylthiazolo[3,2-a]perimidine-9,10-diimine",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC4=NC5=CC=CC6=C5C(=CC=C6)N24","DXLHLMAHDYNHRB-UHFFFAOYSA-N",383250,NA,"PDBC43590","671364","Present",NA,NA
+"43591","N9-[(m-Chloromethyl phenyl)methyladenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N9-[(m-Chloromethyl phenyl)methyladenine",NA,"C1=CC(=CC(=C1)CCl)CN2C=NC3=C(N=CN=C32)N","ZRAYBADLESKDNN-UHFFFAOYSA-N",405653,NA,"PDBC43591","723072","Present",NA,NA
+"43592","N9-[(p-Chloromethyl phenyl)methyl]adenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N9-[(p-Chloromethyl phenyl)methyl]adenine",NA,"C1=CC(=CC=C1CN2C=NC3=C(N=CN=C32)N)CCl","BZHRIQDHGAHLFP-UHFFFAOYSA-N",405652,NA,"PDBC43592","723071","Present",NA,NA
+"43593","NAPHTHO(2,1-b)FURAN, 1-METHYL-2-NITRO-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R 7371",NA,"CC1=C(OC2=C1C3=CC=CC=C3C=C2)[N+](=O)[O-]","CVUUOLKFENQCEZ-UHFFFAOYSA-N",55508,NA,"PDBC43593","373980","Present",NA,NA
+"43594","NAPHTHO(2,1-b)FURAN-1-ETHANOL, 2-NITRO-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R 7516",NA,"C1=CC=C2C(=C1)C=CC3=C2C(=C(O3)[N+](=O)[O-])CCO","DMTZMRKTFPMXSU-UHFFFAOYSA-N",56909,NA,"PDBC43594","373981","Present",NA,NA
+"43595","NBIVAZIYSPCOIW-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NBIVAZIYSPCOIW-UHFFFAOYSA-N",NA,"CC1=CC=C(C=C1)C2=NC3=CC(=C(C=C3N2)F)N4CCN(CC4)C","NBIVAZIYSPCOIW-UHFFFAOYSA-N",394299,NA,"PDBC43595","697666","Present",NA,NA
+"43596","NC1=C(C=CC=C1)NC(C1=CC=C(C=C1)Cccc(=O)NC1=CC=C(C=C1)ccnn)=O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(2-aminophenyl)-4-(4-{[4-(2-hydrazinyle thyl)phenyl]am...",NA,"C1=CC=C(C(=C1)N)NC(=O)C2=CC=C(C=C2)CCCC(=O)NC3=CC=C(C=C3)CCNN","VNSRIYJQKXIAJK-UHFFFAOYSA-N",118362845,NA,"PDBC43596","782118","Present",NA,NA
+"43597","NCGC00350716-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCGC00350716-01",NA,"COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)Cl)C#N","UKITXDLNCSNFGI-UHFFFAOYSA-N",155811593,NA,"PDBC43597","778871","Present",NA,NA
+"43598","NCI-320000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCI-320000",NA,"C1=CC=C2C(=C1)C(=O)N(C2(C3=CC=C(C=C3)Cl)O)CCN","KJJNDJAXTRLOOD-UHFFFAOYSA-N",330747,NA,"PDBC43598","320000","Present",NA,NA
+"43599","NCI-372939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCI-372939",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCCN)[N+](=O)[O-]","XYSUDZRZSXTBRQ-UHFFFAOYSA-N",3449946,NA,"PDBC43599","372939","Present",NA,NA
+"43600","NCIChal_000043",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIChal_000043",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2N3C1=C4C(=NN=C4N)C5=CC=CC=C53","POQYYJWQHIPBMV-UHFFFAOYSA-N",393018,NA,"PDBC43600","694266","Present",NA,NA
+"43601","NCIChal_000048",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIChal_000048",NA,"C1=CC=C2C(=C1)C=CC(=C2C3=NN=C(O3)CCCCCCCCC4=NN=C(O4)C5=C(C=CC6=CC=CC=C65)O)O","LMUIUBHMIJCJHX-UHFFFAOYSA-N",394071,NA,"PDBC43601","697189","Present",NA,NA
+"43602","NCIChal_000050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIChal_000050",NA,"C1=CC=C(C=C1)N2C(=C(C(=C2SSC3=C(C(=C(N3C4=CC=CC=C4)N)C#N)C#N)C#N)C#N)N","ATAUTMWGYTVCOA-UHFFFAOYSA-N",394239,NA,"PDBC43602","697568","Present",NA,NA
+"43603","NCIMech_000015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000015",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)CC2=CC=CC=C2","HXWUVBHUWIDOSM-UHFFFAOYSA-N",366454,NA,"PDBC43603","634863","Present",NA,NA
+"43604","NCIMech_000043",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000043",NA,"C1C(NC2=C(C=C(C=C2)Cl)NC1C3=CC=CC=C3)C#N","JUEAFDHIWLJVJJ-UHFFFAOYSA-N",291072,NA,"PDBC43604","155595","Present",NA,NA
+"43605","NCIMech_000057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000057",NA,"CCOC(=O)C1=CC=C(N1)C2=CC(=NO2)C","SVDRCCNWQAEOFZ-UHFFFAOYSA-N",392537,NA,"PDBC43605","693053","Present",NA,NA
+"43606","NCIMech_000066",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000066",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC(=C(C=C4)Cl)Cl","ZLIKMIMZJKADTK-UHFFFAOYSA-N",369480,NA,"PDBC43606","641250","Present",NA,NA
+"43607","NCIMech_000084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000084",NA,"C1=CC=C2C(=C1)C3=C(C=C(C=C3)NC(=O)C(Cl)Cl)OC2=O","RZYWKLGZNISKEM-UHFFFAOYSA-N",248620,NA,"PDBC43607","65937","Present",NA,NA
+"43608","NCIMech_000091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000091",NA,"CCOC(=O)CCC1=C(C2=C(C=C(C=C2OC1=O)O)O)C","WHVZMGHWQWXEAU-UHFFFAOYSA-N",5351353,NA,"PDBC43608","622616","Present",NA,NA
+"43609","NCIMech_000095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000095",NA,"C1=CC(=C(C=C1C2=NC(=S)NN2)[N+](=O)[O-])O","LMAMJUUHEQCDSQ-UHFFFAOYSA-N",4359419,NA,"PDBC43609","635563","Present",NA,NA
+"43610","NCIMech_000122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000122",NA,"CC1=C2C(=C(C=C1)Cl)C(=C(N2)O)N=NC3=CC=CC=C3[N+](=O)[O-]","GVHBBBXEGNJGME-UHFFFAOYSA-N",3407061,NA,"PDBC43610","118735","Present",NA,NA
+"43611","NCIMech_000126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000126",NA,"CC1=C2C(=C(C=C1)C)NC(=C2N=NC3=CC=CC=C3[N+](=O)[O-])O","HWIOSUDFKMWKTI-UHFFFAOYSA-N",3403987,NA,"PDBC43611","118732","Present",NA,NA
+"43612","NCIMech_000128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000128",NA,"CC1=C(C=CC(=C1)N(C)C)N=NC2=CC3=C(C=C2)N=CC=C3","PYUGLZIVWJGWCX-UHFFFAOYSA-N",387118,NA,"PDBC43612","680516","Present",NA,NA
+"43613","NCIMech_000140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000140",NA,"C1=CC(=CC(=C1)C(F)(F)F)CC2=C(C(=NC(=N2)N)N)C3=CC(=CC=C3)C(F)(F)F","CQCYWCWYOWSXIW-UHFFFAOYSA-N",415629,NA,"PDBC43613","71669","Present",NA,NA
+"43614","NCIMech_000164",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000164",NA,"COC(=O)C1=C(C(=O)NC(=S)N1)C2=CC=C(C=C2)Cl","VBTOUFRMJPKHIX-UHFFFAOYSA-N",3004178,NA,"PDBC43614","635140","Present",NA,NA
+"43615","NCIMech_000199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000199",NA,"C1=CC=C(C=C1)NC(=S)N2C(=O)C(=NN(C2=S)C(=S)NC3=CC=CC=C3)C4=CC=CC=C4NC(=O)C(F)(F)F","XUXMPNJLGQRKNN-UHFFFAOYSA-N",3001564,NA,"PDBC43615","623093","Present",NA,NA
+"43616","NCIMech_000211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000211",NA,"CC1=C(C=CC(=C1)[N+](=O)[O-])NC2=C(C(=CC=C2)Cl)C","XQLQHCFPOVDLAK-UHFFFAOYSA-N",362112,NA,"PDBC43616","625641","Present",NA,NA
+"43617","NCIMech_000212",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000212",NA,"CC(C)(C)C1=CC(=C(C=C1)O)CN(CC2=C(C=CC(=C2)C(C)(C)C)O)C3CCCCC3","KLGRWWNBLUHQPB-UHFFFAOYSA-N",241052,NA,"PDBC43617","48151","Present",NA,NA
+"43618","NCIMech_000213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000213",NA,"C1=CC=C(C=C1)CCC(=O)ON2C(=O)C3=CC=CC=C3N=N2","VZELLNGPUYTDMW-UHFFFAOYSA-N",364363,NA,"PDBC43618","630374","Present",NA,NA
+"43619","NCIMech_000253",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000253",NA,"CCOC(=O)CCN1C(=O)C(=C(C=N1)Cl)Cl","GIWZNWWYUPSNOQ-UHFFFAOYSA-N",366144,NA,"PDBC43619","634471","Present",NA,NA
+"43620","NCIMech_000255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000255",NA,"CCOC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)O","ROOCNULMRLQKSC-UHFFFAOYSA-N",5351424,NA,"PDBC43620","667235","Present",NA,NA
+"43621","NCIMech_000257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000257",NA,"C1=CNC(=C1)C2=CC=C(C3=NSN=C23)C4=CC=CN4","OZZFDRYXQMGCQY-UHFFFAOYSA-N",394788,NA,"PDBC43621","698573","Present",NA,NA
+"43622","NCIMech_000258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000258",NA,"CCOC(=O)CC1=C(C2=CC(=C(C=C2OC1=O)O)C(=O)C3=CC=CC=C3)C","OEPMMCBMWRVWJL-UHFFFAOYSA-N",5351226,NA,"PDBC43622","115538","Present",NA,NA
+"43623","NCIMech_000292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000292",NA,"C1C2=CC=CC=C2C3=C1C=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5C(=O)O","QHFDSZUYDHUQHL-UHFFFAOYSA-N",249398,NA,"PDBC43623","67690","Present",NA,NA
+"43624","NCIMech_000330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000330",NA,"CN1C2=NC3=C(C=C2C=N1)C(=CC=C3)NC4=CC=C(C=C4)Cl","FVIKROWDZIGBFN-UHFFFAOYSA-N",360580,NA,"PDBC43624","622732","Present",NA,NA
+"43625","NCIMech_000338",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000338",NA,"C1=CC(=O)OC2=C(C3=C(C=CO3)C=C21)OP(=O)(N)N(CCCl)CCCl","VTACKYDNMSOGFM-UHFFFAOYSA-N",335450,NA,"PDBC43625","345081","Present",NA,NA
+"43626","NCIMech_000349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000349",NA,"CC1=CC(N=C2N1N=C(S2)C3=CC=C(C=C3)N)(C)C","NTIMRUPYHLCCOG-UHFFFAOYSA-N",369067,NA,"PDBC43626","640624","Present",NA,NA
+"43627","NCIMech_000353",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000353",NA,"CC1=CC(=O)C2=C1C(=CC=C2)NC3=NCCO3","MRPJJNHJZMWMNV-UHFFFAOYSA-N",379622,NA,"PDBC43627","664331","Present",NA,NA
+"43628","NCIMech_000362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000362",NA,"C1=CC=C(C=C1)CN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53","CVVPLIBSSHGDNT-UHFFFAOYSA-N",333739,NA,"PDBC43628","337612","Present",NA,NA
+"43629","NCIMech_000364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000364",NA,"CC1=C(C=CC(=C1)Cl)N2C(=O)C(=O)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","BJZVDVOAEGMENU-UHFFFAOYSA-N",360715,NA,"PDBC43629","623051","Present",NA,NA
+"43630","NCIMech_000391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000391",NA,"CN(C1=CC2=CC=CC=C2C=C1)NC3=NCCO3","BTLKZYPIZDAICY-UHFFFAOYSA-N",379593,NA,"PDBC43630","664286","Present",NA,NA
+"43631","NCIMech_000398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000398",NA,"CC1=CC(=C(C(=O)O1)C=NC(=S)N)O","SIQTYMPMYUEENP-XCVCLJGOSA-N",135409057,NA,"PDBC43631","657449","Present",NA,NA
+"43632","NCIMech_000414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000414",NA,"CCOC(=O)C1=CC=C(C=C1)N=CC2=CC=C(C=C2)N(CCC#N)CCC#N","CDXOCXGRPWTQKC-UHFFFAOYSA-N",359416,NA,"PDBC43632","620279","Present",NA,NA
+"43633","NCIMech_000418",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000418",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC2=NC(N(C(=N2)N)C3=CC(=C(C=C3)Cl)Cl)(C)C","JKBAKQRRBSSBIQ-UHFFFAOYSA-N",353973,NA,"PDBC43633","603624","Present",NA,NA
+"43634","NCIMech_000430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000430",NA,"CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=CC=C3O)C(=O)NCC4=CC=CC=C4","PRKINNFKLDCIEL-UHFFFAOYSA-N",366469,NA,"PDBC43634","634928","Present",NA,NA
+"43635","NCIMech_000471",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000471",NA,"COC1=C2CCCCC2=C(C=C1)NC3=NCCO3","SFQNHUGBLWODEZ-UHFFFAOYSA-N",38508,NA,"PDBC43635","663996","Present",NA,NA
+"43636","NCIMech_000488",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000488",NA,"CCOC(=O)C1=C(CSC1=NC2=CC=C(C=C2)N=C3C(=C(CS3)O)C(=O)OCC)O","WZZMWLXWQIAQJF-UHFFFAOYSA-N",135426844,NA,"PDBC43636","623746","Present",NA,NA
+"43637","NCIMech_000490",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000490",NA,"COC(=O)NC(=NC1=C(C=C(C=C1)OC2=CC=CC=C2)NC=O)NC(=O)OC","UGPNCGUBNMKORD-UHFFFAOYSA-N",135426845,NA,"PDBC43637","630032","Present",NA,NA
+"43638","NCIMech_000492",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000492",NA,"CN1C=NC(=C1SC2=NN=NN2C3=CC=CC=C3)[N+](=O)[O-]","QUODPUMWDDZXDG-UHFFFAOYSA-N",364620,NA,"PDBC43638","631152","Present",NA,NA
+"43639","NCIMech_000510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000510",NA,"CC(=C1C=NC2=CC=CC=C2S1)NNC(=O)C3=CC=CC=C3O","XBONPGBHPAUWOL-WJDWOHSUSA-N",5388346,NA,"PDBC43639","635121","Present",NA,NA
+"43640","NCIMech_000532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000532",NA,"CC1=C2CCCC2=C(C=C1)C(=N)C3=CC=CC4=C3C=C(C=C4)OC","IVNBNEPYOUIZOL-UHFFFAOYSA-N",362067,NA,"PDBC43640","625590","Present",NA,NA
+"43641","NCIMech_000562",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000562",NA,"COC1=CC2=C(C=C1)C3=NNC(=C3CC2)C4=C5CCC6=C(C5=NN4)C=CC(=C6)OC","SYDAHIUDHIKUAF-UHFFFAOYSA-N",340765,NA,"PDBC43641","371846","Present",NA,NA
+"43642","NCIMech_000618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000618",NA,"CC(C)C1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)NCCN(C)C","ISICVGZVKNWGIG-UHFFFAOYSA-N",353136,NA,"PDBC43642","600305","Present",NA,NA
+"43643","NCIMech_000619",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000619",NA,"C1=CC=C(C(=C1)C(=O)N=NC2=C(NC3=C2C=C(C=C3Cl)Cl)O)O","UKONEOUGLCGSMG-UHFFFAOYSA-N",330958,NA,"PDBC43643","320864","Present",NA,NA
+"43644","NCIMech_000620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000620",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)F)C(=O)C3=CC=NC=C3","GKQWVBRPLBCQTM-UHFFFAOYSA-N",359680,NA,"PDBC43644","621094","Present",NA,NA
+"43645","NCIMech_000665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000665",NA,"CN(C)CCCN1C2=CC=CC=C2SC3=C1C4=CC=CC=C4C=C3","VGMOECBHITYGPM-UHFFFAOYSA-N",227345,NA,"PDBC43645","18891","Present",NA,NA
+"43646","NCIMech_000673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000673",NA,"COC1=CC(=CC(=C1OC)OC)CC(=O)C2=CC3=C(C=C2C4=CC=CC=C4)OCO3","JSDRRPNJIFUHDD-UHFFFAOYSA-N",372796,NA,"PDBC43646","648419","Present",NA,NA
+"43647","NCIMech_000699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000699",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]","SWTNGUJPNWBOQC-UHFFFAOYSA-N",391439,NA,"PDBC43647","690634","Present",NA,NA
+"43648","NCIMech_000701",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000701",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)NC4=CC=C(C=C4)Cl","REOQQQOHISDZHG-UHFFFAOYSA-N",364770,NA,"PDBC43648","631529","Present",NA,NA
+"43649","NCIMech_000725",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000725",NA,"CCCCOCC1=C2C=CC=NC2=C(C(=C1)CN3CCN(CC3)C)O","SOALJBSEAGNYKO-UHFFFAOYSA-N",227994,NA,"PDBC43649","20514","Present",NA,NA
+"43650","NCIMech_000745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000745",NA,"CN(C)CCCN1C2=C(C3=CC=CC=C3C=C2)SC4=C1C(=CC=C4)Cl","YQQOWRFAYJNTDF-UHFFFAOYSA-N",229969,NA,"PDBC43650","24113","Present",NA,NA
+"43651","NCIMech_000748",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000748",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC=C(C=C4)Br","LWRSTFFKJJJWLI-UHFFFAOYSA-N",376515,NA,"PDBC43651","657456","Present",NA,NA
+"43652","NCIMech_000766",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000766",NA,"COC(=O)C1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43","JFFOWURHYJMMST-UHFFFAOYSA-N",369470,NA,"PDBC43652","641240","Present",NA,NA
+"43653","NCIMech_000783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000783",NA,"CC(C)(C(=O)N(C1=CC=CC=C1)C(=O)N2CCC(CC2)C3=CC=CC=C3)OC4=CC=C(C=C4)Cl","KFGOANCXXKAFRH-UHFFFAOYSA-N",391219,NA,"PDBC43653","690116","Present",NA,NA
+"43654","NCIMech_000792",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000792",NA,"CC1=C(SC(=N1)C(=S)N)C(=O)CC(=O)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C","BRXAGMFXJUMMRM-UHFFFAOYSA-N",3004282,NA,"PDBC43654","642048","Present",NA,NA
+"43655","NCIMech_000794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000794",NA,"C(C(=O)CC(C(F)(F)F)(C(F)(F)Cl)O)C(C(F)(F)F)(C(F)(F)Cl)O","HYRVFUYATWPFFE-UHFFFAOYSA-N",59095,NA,"PDBC43655","659174","Present",NA,NA
+"43656","NCIMech_000796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000796",NA,"C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC=C3C(=O)CC(=O)C(=O)NC4=CC=C(C=C4)Cl","CITLSTZRNQPUSX-UHFFFAOYSA-N",369483,NA,"PDBC43656","641253","Present",NA,NA
+"43657","NCIMech_000850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000850",NA,"C1CS(=O)(=O)CCN1C2=CC=CC=C2CC(C3=CNC4=CC=CC=C43)C5=CNC6=CC=CC=C65","GGRMGYJJBCRHKM-UHFFFAOYSA-N",235012,NA,"PDBC43657","35949","Present",NA,NA
+"43658","NCIMech_000856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000856",NA,"C1=CC=C2C(=C1)C(=O)C(C2=O)C(C3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)[N+](=O)[O-]","IMSFIAWRQCLBNS-UHFFFAOYSA-N",370293,NA,"PDBC43658","643148","Present",NA,NA
+"43659","NCIMech_000872",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000872",NA,"CN(CCC1=CC=CC=N1)C2=CC3=C(C=C2)C4=CC=CC=C4C3=O.I","CADPUVKBTUPMHN-UHFFFAOYSA-N",5351149,NA,"PDBC43659","24048","Present",NA,NA
+"43660","NCS-665564",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCS-665564",NA,"CC(=O)N1CCC2=C(C1C3=CC=CC=C3)NC4=C2C=C(C=C4)Br","CBMFCUHTQKAALP-UHFFFAOYSA-N",380161,NA,"PDBC43660","665564","Present",NA,NA
+"43661","ND-9807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ND-9807",NA,"CN1C(=O)C2=NC3=CC=CC=C3N(C2=NC1=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","IXCOKHNAXJKOAZ-UHFFFAOYSA-N",363243,NA,"PDBC43661","627989","Present",NA,NA
+"43662","NDTKZJMWHPUVQG-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NDTKZJMWHPUVQG-UHFFFAOYSA-N",NA,"C1=CC(=CC=C1C2=NNC(=O)N2)[N+](=O)[O-]","NDTKZJMWHPUVQG-UHFFFAOYSA-N",135484992,NA,"PDBC43662","678394","Present",NA,NA
+"43663","NE11620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE11620",NA,"CC1=CC(=O)N2C(=N1)SC(=N2)CCl","NZAXHQJYIYHPFL-UHFFFAOYSA-N",385795,NA,"PDBC43663","677189","Present",NA,NA
+"43664","NE12264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE12264",NA,"CC1=C(C=C(C=C1)NC2=NNC(=S)S2)C","RNCSODFVQZANEB-UHFFFAOYSA-N",2380517,NA,"PDBC43664","157322","Present",NA,NA
+"43665","NE20656",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE20656",NA,"CCOC(=O)C(=O)C1C2=CC=CC=C2NC1=O","UXGCSFRJKPEYBN-UHFFFAOYSA-N",372101,NA,"PDBC43665","646976","Present",NA,NA
+"43666","NE26007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE26007",NA,"C1CC2CNC3=CC=CC=C3CN2C1","QZLFCLRNSOXWFA-UHFFFAOYSA-N",386459,NA,"PDBC43666","678488","Present",NA,NA
+"43667","NE30261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE30261",NA,"C1=CC(=CC=C1OCC2=NC(=S)NN2)Cl","OIAHIKHIYQWBHQ-UHFFFAOYSA-N",1550076,NA,"PDBC43667","625837","Present",NA,NA
+"43668","NE34394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE34394",NA,"CN1C2=C(C(=O)C=C(N2)N)C(=O)N(C1=O)C","QYKJAKMJYFUJKK-UHFFFAOYSA-N",389793,NA,"PDBC43668","686397","Present",NA,NA
+"43669","NE34510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE34510",NA,"CC(=O)C(CN1C(=O)C2=CC=CC=C2C1=O)C(=O)C","XIMLYUAJDIUXCV-UHFFFAOYSA-N",373268,NA,"PDBC43669","649421","Present",NA,NA
+"43670","NE54743",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE54743",NA,"CC1=C(SC2=C1C(=O)OC(=O)N2)C","GZENPAIGBVRRTH-UHFFFAOYSA-N",384429,NA,"PDBC43670","674206","Present",NA,NA
+"43671","NE55072",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE55072",NA,"C1CC2=C(NC1)N=CNC2=O","YJIRCOHLVHBXAK-UHFFFAOYSA-N",135408955,NA,"PDBC43671","649162","Present",NA,NA
+"43672","NEBYRAXMNWNRMO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NEBYRAXMNWNRMO-UHFFFAOYSA-N",NA,"CC(C)(C)OC(=O)NC(CC1=C(C=C(C=C1)OC)O)C(=O)OC","NEBYRAXMNWNRMO-UHFFFAOYSA-N",397418,NA,"PDBC43672","705164","Present",NA,NA
+"43673","NI-72",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NI-72",NA,"CC1=C(C(=C(C(=N1)C)N=O)C2=CC=CC=C2C(F)(F)F)C(=O)OC","VRENOHNRRMYDOZ-UHFFFAOYSA-N",382125,NA,"PDBC43673","669518","Present",NA,NA
+"43674","NIMBOLIDE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIMBOLIDE",NA,"CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C6C4OC(=O)C6(C=CC5=O)C)C)CC(=O)OC)C","JZIQWNPPBKFOPT-UHFFFAOYSA-N",100017,NA,"PDBC43674","309909","Present",NA,NA
+"43675","NIOSH/DH2521700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/DH2521700",NA,"CN(CO)N=NC1=CC=C(C=C1)C(=O)OC","BLAFWWCVPZFQTO-UHFFFAOYSA-N",101208,NA,"PDBC43675","382779","Present",NA,NA
+"43676","NIOSH/GD7214800",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/GD7214800",NA,"C1=CC=C(C(=C1)C=C(C#N)C(=O)N)O","ASUZMZDJWZMTJV-VMPITWQZSA-N",736630,NA,"PDBC43676","638072","Present",NA,NA
+"43677","NIOSH/GY7277500",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/GY7277500",NA,"CC1C(=O)C(=C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C","VAAQGIJITBVELH-UHFFFAOYSA-N",223673,NA,"PDBC43677","11511","Present",NA,NA
+"43678","NIOSH/MI7030000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/MI7030000",NA,"CCCCCC(C=NNC(=S)N)C(C(F)(F)F)(C(F)(F)F)O","GKGNUCJQSXGTOC-KPSZGOFPSA-N",9571419,NA,"PDBC43678","659214","Present",NA,NA
+"43679","NIOSH/VD1581000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIOSH/VD1581000",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)N=CC(=N2)C3=CC=CC=C3.Cl","PDYUAERORXUVHK-UHFFFAOYSA-N",358088,NA,"PDBC43679","617937","Present",NA,NA
+"43680","NITP",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NITP",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCCN3C=CN=C3[N+](=O)[O-]","WMZHJZFCFREAFU-UHFFFAOYSA-N",132022,NA,"PDBC43680","656834","Present",NA,NA
+"43681","NIVEUSIN A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIVEUSIN A",NA,"CC=C(C)C(=O)OC1CC2(C(CC(O2)(C(=CC3C1C(=C)C(=O)O3)CO)O)O)C","LJFIVFJQZWRSAJ-LGPPMJGUSA-N",5477575,NA,"PDBC43681","331121","Present",NA,NA
+"43682","NIl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIl",NA,"COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CC=CC=C3)NC(=S)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","YJIBEUNUCJFWST-VABKMULXSA-N",155805079,NA,"PDBC43682","761448","Present",NA,NA
+"43683","NJMWXCOSLAUOGE-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NJMWXCOSLAUOGE-UHFFFAOYSA-N",NA,"CN1CCCN2CCN(CCCN(CC1)CC2)C","NJMWXCOSLAUOGE-UHFFFAOYSA-N",372702,NA,"PDBC43683","648262","Present",NA,NA
+"43684","NKLB",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NKLB",NA,NA,NA,NA,NA,"PDBC43684","645205","Present",NA,NA
+"43685","NLCQ-1 HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline, 7-chloro-4-[3-(2-nitroimidazolyl)propylamino]...",NA,"C1=CC2=C(C=CN=C2C=C1Cl)NCCCN3C=CN=C3[N+](=O)[O-].Cl","LWTUZIMLIKOKDI-UHFFFAOYSA-N",398939,NA,"PDBC43685","709257","Present",NA,NA
+"43686","NO Data IN this field",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NO DATA IN THIS FIELD",NA,"CC1CCC(C(C1)OC2C(CC(=O)O2)SC3=CC=CC=C3)C(C)C","XGLWGCATXFVQIR-NUUCADPSSA-N",6711510,NA,"PDBC43686","629500","Present",NA,NA
+"43687","NO2A(tBu)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NO2A(tBu)",NA,"CC(C)(C)OC(=O)CN1CCNCCN(CC1)CC(=O)OC(C)(C)C","KAGBCHRKKXTZOY-UHFFFAOYSA-N",393902,NA,"PDBC43687","696863","Present",NA,NA
+"43688","NOCAS_874808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_874808",NA,"C1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3CC(CSCCO)O","ACCBGMZOEFJHJZ-UHFFFAOYSA-N",135489860,NA,"PDBC43688","685820","Present",NA,NA
+"43689","NOCAS_875064",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_875064",NA,"CC(=O)NC(CCCNC(=O)N(CC#C)N=O)C(=O)NCC1=CC=CC=C1","IEQNIIIWMFKPLR-UHFFFAOYSA-N",371363,NA,"PDBC43689","645583","Present",NA,NA
+"43690","NOCAS_875167",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_875167",NA,"CC(=O)NC(CCCCNC(=O)N(CC#C)N=O)C(=O)NCC1=CC=CC=C1","WKIQCAOTGDUJJJ-UHFFFAOYSA-N",371365,NA,"PDBC43690","645585","Present",NA,NA
+"43691","NOCAS_875344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_875344",NA,"CCCN(CCCC(C(=O)NCC1=CC=CC=C1)NC(=O)C)C(=O)NCC=C","AYHZQBPVKXLWAZ-UHFFFAOYSA-N",370684,NA,"PDBC43691","644071","Present",NA,NA
+"43692","NOCAS_875531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_875531",NA,"CC(=O)NC(CCCN(CC1=CC=CC=C1)C(=O)NCC=C)C(=O)NCC2=CC=CC=C2","JXNKMYSKOOGGAH-UHFFFAOYSA-N",370685,NA,"PDBC43692","644072","Present",NA,NA
+"43693","NOCAS_876291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_876291",NA,"CC1=NC2=CC=CC=C2C(=O)N1CC(=O)O","NIRPYXSTQBPOLJ-UHFFFAOYSA-N",361912,NA,"PDBC43693","625330","Present",NA,NA
+"43694","NOCAS_877054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_877054",NA,"CC1=CC2=C(C3=CC=CC=C3C2=O)N=N1","STADVKHJCBJICA-UHFFFAOYSA-N",379341,NA,"PDBC43694","663887","Present",NA,NA
+"43695","NOCAS_879244",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_879244",NA,"C1COCCN1CC2CN=C(O2)N","YCRRUOJUYLAPSS-UHFFFAOYSA-N",387533,NA,"PDBC43695","681443","Present",NA,NA
+"43696","NOCAS_879728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_879728",NA,"CS(=O)(=O)ON1C(=O)C2=C(C1=O)C=C(C=C2)N","BNULMKWKKIYHKP-UHFFFAOYSA-N",364533,NA,"PDBC43696","630955","Present",NA,NA
+"43697","NOHFHPIPRSKJQF-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOHFHPIPRSKJQF-UHFFFAOYSA-N",NA,"CN1C(=CC2=C(C1=O)C(=NO2)C3=CC=CC=C3)C4=CC=C(C=C4)CN(C)C","NOHFHPIPRSKJQF-UHFFFAOYSA-N",334509,NA,"PDBC43697","339908","Present",NA,NA
+"43698","NOR 1E11",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOR 1E11",NA,NA,NA,NA,NA,"PDBC43698","636195","Present",NA,NA
+"43699","NOR 1G9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOR 1G9",NA,NA,NA,NA,NA,"PDBC43699","636196","Present",NA,NA
+"43700","NOR 5H10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOR 5H10",NA,NA,NA,NA,NA,"PDBC43700","636194","Present",NA,NA
+"43701","NPD700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NPD700",NA,"COC1=CC=C(C=C1)NC2=C3C4=CC=CC=C4C(=O)C5=C3C(=CC=C5)NC2=O","YTIARIJWCIYGIC-UHFFFAOYSA-N",1973944,NA,"PDBC43701","744093","Present",NA,NA
+"43702","NSC 364573 (formerly)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC363979",NA,"CC1C2CC=C3C2(COC14C(CC(O4)(C)C)O)C(=O)CC5C3CCC6C5(CC7=NC8=C(CC9(C(C8)CCC1C9CC(C2(C1=CC1C2(C(C2(O1)C(CC(O2)(C)CO)O)C)O)C)O)C)N=C7C6)C","HHBSFXFIMWLBAI-JOQJRFOHSA-N",6711239,NA,"PDBC43702","363979","Present",NA,NA
+"43703","NSC 701656 incorporated in micelles, 0.73% (w/w) of drug.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC 701656 incorporated in micelles, 0.73% (w/w) of drug.",NA,NA,NA,NA,NA,"PDBC43703","727982","Present",NA,NA
+"43704","NSC 701657 incorporated in micelles, 0.25% (w/w) of drug",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC 701657 incorporated in micelles, 0.25% (w/w) of drug",NA,NA,NA,NA,NA,"PDBC43704","727983","Present",NA,NA
+"43705","NSC 701659 incorporated in micelles, 0.28% (w/w) of drug",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC 701659 incorporated in micelles, 0.28% (w/w) of drug",NA,NA,NA,NA,NA,"PDBC43705","727984","Present",NA,NA
+"43706","NSC 708781 incorporated in micelles, 0.55% (w/w) of drug",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC 708781 incorporated in micelles, 0.55% (w/w) of drug",NA,NA,NA,NA,NA,"PDBC43706","727985","Present",NA,NA
+"43707","NSC 708782 incorporated in micelles, 0.45% (w/w) of drug",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC 708782 incorporated in micelles, 0.45% (w/w) of drug",NA,NA,NA,NA,NA,"PDBC43707","727986","Present",NA,NA
+"43708","NSC 708783 incorporated in micelles, 0.20% (w/w) of drug",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC 708783 incorporated in micelles, 0.20% (w/w) of drug",NA,NA,NA,NA,NA,"PDBC43708","727987","Present",NA,NA
+"43709","NSC 708788 incorporated in micelles, 0.20% (w/w) of drug",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC 708788 incorporated in micelles, 0.20% (w/w) of drug",NA,NA,NA,NA,NA,"PDBC43709","727988","Present",NA,NA
+"43710","NSC100215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC100215",NA,"CN1CCCCCC(=NO)C(=NO)CCCCC1","FRTSXIXTWLTUNW-QUMQEAAQSA-N",135509535,NA,"PDBC43710","100215","Present",NA,NA
+"43711","NSC100856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC100856",NA,"C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)CCCOC3=CC=C(C=C3)N.Cl","NJMALKNJKHHOEX-UHFFFAOYSA-N",135534544,NA,"PDBC43711","100856","Present",NA,NA
+"43712","NSC100857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC100857",NA,"C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)CCCN.Cl","BOGRQNNJHMKIIM-UHFFFAOYSA-N",135534545,NA,"PDBC43712","100857","Present",NA,NA
+"43713","NSC101331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC101331",NA,"C[N+](C)(C)N=CC1=C(C(=CC=C1)OC)O.[I-]","PHMMIRBOYRGFMD-UHFFFAOYSA-N",135534546,NA,"PDBC43713","101331","Present",NA,NA
+"43714","NSC101751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC101751",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)OCCSC(=N)N.Br","WCCASMCHYKEXQM-UHFFFAOYSA-N",45046856,NA,"PDBC43714","101751","Present",NA,NA
+"43715","NSC103704",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC103704",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)F)C(=O)O)O","OHKLEIJCOJXRTB-UHFFFAOYSA-N",266285,NA,"PDBC43715","103704","Present",NA,NA
+"43716","NSC103755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC103755",NA,"C[N+]1=CC2=C(C(C=CC2=C3C1C4=CC5=C(C=C4C3)OCO5)OC)OC.[N+](=O)(O)O","PNFCEMYHZPQPKJ-UHFFFAOYSA-N",6332495,NA,"PDBC43716","103755","Present",NA,NA
+"43717","NSC105017",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC105017",NA,"C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CN)O","WUGWUQVMPOHXKQ-UHFFFAOYSA-N",266548,NA,"PDBC43717","105017","Present",NA,NA
+"43718","NSC10535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC10535",NA,"CC1(C2=CC=CC=C2[N+](=C1C=CC3=CC=C(C=C3)N(C)C)C)C.[I-]","YKPDGXDEWCJITP-UHFFFAOYSA-M",10159899,NA,"PDBC43718","10535","Present",NA,NA
+"43719","NSC109156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC109156",NA,"CC(C)(C)NCC(=CC1=CC=CC=C1)C(=O)C2=CC=CC=C2","PYGLETLOMHWMRC-NBVRZTHBSA-N",5475881,NA,"PDBC43719","109156","Present",NA,NA
+"43720","NSC109834",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC109834",NA,"CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC(=CC=C3)N)N)N)C.Cl","BIWSHDRDLZSARM-UHFFFAOYSA-N",54609913,NA,"PDBC43720","109834","Present",NA,NA
+"43721","NSC109836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC109836",NA,"CC1(N=C(N=C(N1C2=CC(=CC=C2)OCC3=CC(=CC=C3)[N+](=O)[O-])N)N)C.[Cl-]","UFVBNMPWZZKLTJ-UHFFFAOYSA-M",5351956,NA,"PDBC43721","109836","Present",NA,NA
+"43722","NSC11051",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC11051",NA,"CCCCN(CCCC)CCCCNC1=C2C=CC(=CC2=NC=C1C)Cl.OP(=O)(O)O","VPACWEWGZOFIKG-UHFFFAOYSA-N",22210396,NA,"PDBC43722","11051","Present",NA,NA
+"43723","NSC111062",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC111062",NA,"CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCOC3=CC=CC(=C3)[N+](=O)[O-])N)N)C.[Cl-]","FMDFBSWOJHAVCI-UHFFFAOYSA-M",24190581,NA,"PDBC43723","111062","Present",NA,NA
+"43724","NSC112671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC112671",NA,"CC(=O)OC12CC[N+]3(CCCCC3C1=NC4=CC=CC=C24)C.[I-]","FFDFTXGLWKTRSO-UHFFFAOYSA-M",5351962,NA,"PDBC43724","112671","Present",NA,NA
+"43725","NSC113237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC113237",NA,"CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=CC(=C(C=C5CCN4C(=O)C(CC6=CC=CC=C6)N)OC)OC)OC)OC.OCl(=O)(=O)=O","FNYGLGMODKPRAW-UHFFFAOYSA-N",54606151,NA,"PDBC43725","113237","Present",NA,NA
+"43726","NSC114696",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC114696",NA,NA,NA,NA,NA,"PDBC43726","114696","Present",NA,NA
+"43727","NSC115527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC115527",NA,"CCOC(=O)CCC1=C(C2=C(C=C(C=C2)O)OC1=O)C","JFRVIXNRVMZXFB-UHFFFAOYSA-N",5351036,NA,"PDBC43727","115527","Present",NA,NA
+"43728","NSC116661",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC116661",NA,NA,NA,NA,NA,"PDBC43728","116661","Present",NA,NA
+"43729","NSC117274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC117274",NA,"C1=CC=C(C=C1)CCC(C2=C(C3=CC=CC=C3C(=O)C2=O)O)C4=C(C5=CC=CC=C5C(=O)C4=O)O","KEKWBWHWPBTIKC-UHFFFAOYSA-N",272651,NA,"PDBC43729","117274","Present",NA,NA
+"43730","NSC117470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC117470",NA,"C1CSC(N1)C(C(=O)O)N2CC3=CC=CC=C3C2.Cl","ZDUOLBGFAWWUTM-UHFFFAOYSA-N",24190977,NA,"PDBC43730","117470","Present",NA,NA
+"43731","NSC117672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC117672",NA,"C1=CC(=CC(=C1)OCC2=C(C(=NC(=N2)N)N)C3=CC=C(C=C3)Cl)N","VENIPBHVOLIRGW-UHFFFAOYSA-N",419743,NA,"PDBC43731","117672","Present",NA,NA
+"43732","NSC118087",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC118087",NA,NA,NA,NA,NA,"PDBC43732","118087","Present",NA,NA
+"43733","NSC11863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC11863",NA,"C1OC2=C(O1)C=C(C=C2)C=CC(=O)C3=CC=CC=C3","ATKADZVINWFQOE-SOFGYWHQSA-N",5354492,NA,"PDBC43733","11863","Present",NA,NA
+"43734","NSC120015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC120015",NA,"C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)Cl","RFSUKZRGDWYDSW-UHFFFAOYSA-N",274167,NA,"PDBC43734","120015","Present",NA,NA
+"43735","NSC120686",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC120686",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C2=NN=CC4=C(C=CC=C4Cl)F","GDDPFPHCLQALSU-FMCGGJTJSA-N",5458227,NA,"PDBC43735","120686","Present",NA,NA
+"43736","NSC121849",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC121849",NA,"C[N+]12CCC34C1(CC5C6C3N(C(=O)CC6OCC=C5C2)C7=CC(=C(C=C47)OC)OC)[O-]","NYFQSWAZVNEMIH-UHFFFAOYSA-N",5351990,NA,"PDBC43736","121849","Present",NA,NA
+"43737","NSC122400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC122400",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)O.C1=CC=NC=C1","CTCVSQWKASZIQY-QFHYWFJHSA-N",54600128,NA,"PDBC43737","122400","Present",NA,NA
+"43738","NSC122621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC122621",NA,"C(CSCCN)C(=O)O.Cl","XJOTYSUHUBTDQM-UHFFFAOYSA-N",24191487,NA,"PDBC43738","122621","Present",NA,NA
+"43739","NSC123303",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC123303",NA,"CC1CCCC(C1=O)C(=O)CC2CC(=O)NC(=O)C2","WPKVQFQGIZDUHC-UHFFFAOYSA-N",241176,NA,"PDBC43739","123303","Present",NA,NA
+"43740","NSC123420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC123420",NA,"C1CN2CC3=CCOC4CC(=O)NC5C4C3CC2C51C(=CC(=O)O)C(=O)O.Br","IHJBBXWIZOQKEJ-AVHZNCSWSA-N",54600135,NA,"PDBC43740","123420","Present",NA,NA
+"43741","NSC12492",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC12492",NA,"C1=CC(=C(C=C1NC2=C3C=CC(=CC3=NC=C2)Cl)O)C(=O)O.Cl","FZDGKIVSGFLEJV-UHFFFAOYSA-N",24181904,NA,"PDBC43741","12492","Present",NA,NA
+"43742","NSC126728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC126728",NA,"C.CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)COC(=O)C1O)C)CO4","UYMAFCXKKGDQQU-VBRYSZMJSA-N",54612340,NA,"PDBC43742","126728","Present",NA,NA
+"43743","NSC127494",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC127494",NA,"CC1=C(C(=CC=C1)C(=O)O)CC2C3C(CCN2)C4=CC=CC=C4N3.Cl","ZXLRESFPKQVMJI-UHFFFAOYSA-N",24191772,NA,"PDBC43743","127494","Present",NA,NA
+"43744","NSC127710",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC127710",NA,"CC1CCC(=O)C(C1)C(=O)CC2CC(=O)NC(=O)C2","SAYOWBIQEVZZDW-UHFFFAOYSA-N",234330,NA,"PDBC43744","127710","Present",NA,NA
+"43745","NSC127917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC127917",NA,"C1=CC(=CC=C1C(=O)O)NCC2=NC3=NC(=NC(=C3N2)N)N","WEAIDDOLGAIXED-UHFFFAOYSA-N",3246450,NA,"PDBC43745","127917","Present",NA,NA
+"43746","NSC129748",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC129748",NA,NA,NA,NA,NA,"PDBC43746","129748","Present",NA,NA
+"43747","NSC129790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC129790",NA,"CC(CN1CCN(CC1)CC(C)NC2=C3C=CC(=CC3=NC=C2)Cl)NC4=C5C=CC(=CC5=NC=C4)Cl","FIERVDLXKNFTPK-UHFFFAOYSA-N",31776,NA,"PDBC43747","129790","Present",NA,NA
+"43748","NSC130843",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC130843",NA,"CN1C2=C(N=C1NCCN(C)C)N(C(=O)N(C2=O)C)C.Cl","WPSBGTILXSYPSF-UHFFFAOYSA-N",24191973,NA,"PDBC43748","130843","Present",NA,NA
+"43749","NSC130876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC130876",NA,"CC(=O)NC1=C2C=CC=NC2=C(C(=C1)CN3CCCCC3)O","KCCMIWWVDARKLM-UHFFFAOYSA-N",279612,NA,"PDBC43749","130876","Present",NA,NA
+"43750","NSC130915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC130915",NA,"CN(C)CC(CN(C)C)C1=CC=CC=N1.Cl","BBEVTWIDSQFUAA-UHFFFAOYSA-N",5351754,NA,"PDBC43750","130915","Present",NA,NA
+"43751","NSC132483",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC132483",NA,"CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C=C3)Cl)C(=O)NC(CC(=O)O)C(=O)O","SGUMXALIXOMJSH-UHFFFAOYSA-N",421299,NA,"PDBC43751","132483","Present",NA,NA
+"43752","NSC13305",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13305",NA,"CN(C)C1=CC=C(C=C1)C(CC2=NC3=CC=CC=C3C=C2)CC4=NC5=CC=CC=C5C=C4","GLMXUQDALJFHPN-UHFFFAOYSA-N",224640,NA,"PDBC43752","13305","Present",NA,NA
+"43753","NSC133497",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC133497",NA,"CC1=CC(=C(C(=C1)C)C(=O)OC(C2=CC=CC=C2)C(C3=CC=CC=C3)N4CCOCC4)C","LZSRHPZGZOQOMC-UHFFFAOYSA-N",281022,NA,"PDBC43753","133497","Present",NA,NA
+"43754","NSC13378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13378",NA,"COC1=CC(=C2C(=C1)C=CC=N2)NCCC3CCCCN3.Cl","HLBANNCDFAOYKN-UHFFFAOYSA-N",54611715,NA,"PDBC43754","13378","Present",NA,NA
+"43755","NSC134033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC134033",NA,"C1=CC2=C(C=C1CNC3=CC(=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O)Cl)C(=NC(=N2)N)N","CEUFDEOPWBBLCY-UHFFFAOYSA-N",421455,NA,"PDBC43755","134033","Present",NA,NA
+"43756","NSC134755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC134755",NA,"CCC1=C(CC2C3=CC=CC=C3CCN2C1)CC4C5=CC(=C(C=C5CCN4)OC)OC.Br","ZAPKYOAWZGRSFK-UHFFFAOYSA-N",54606480,NA,"PDBC43756","134755","Present",NA,NA
+"43757","NSC134759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC134759",NA,"COC1=C(C=C2C(NCCC2=C1)CC3=C(CN4CCC5=CC(=C(C=C5C4C3)OC)OC)C6=CC=CC=C6)OC.Cl","UOPCMLMEDAMFQE-UHFFFAOYSA-N",54606481,NA,"PDBC43757","134759","Present",NA,NA
+"43758","NSC13480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13480",NA,"C1CCNC(C1)C(C2=CC(=NC3=C2C=CC4=CC=CC=C43)C5=CC=CC=C5)O.Cl","ZAWPIWUEZXQBGS-UHFFFAOYSA-N",54598468,NA,"PDBC43758","13480","Present",NA,NA
+"43759","NSC135983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC135983",NA,"C1CN(CC2=CC=CC=C21)C3=NCCO3.Br","QOXKLTLEEPHTGF-UHFFFAOYSA-N",24192268,NA,"PDBC43759","135983","Present",NA,NA
+"43760","NSC13611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13611",NA,"CN(C)CCCNC1=C2CCCCC2=NC3=C1C=C(C=C3)OC.Cl","MNXIETTXPWTUPP-UHFFFAOYSA-N",54605075,NA,"PDBC43760","13611","Present",NA,NA
+"43761","NSC136475",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC136475",NA,"COC1=CC=C(C=C1)C(=CC2=CC(=C(C=C2)OC)OC)C#N","XUPZQTOIODRVQV-XNTDXEJSSA-N",5388793,NA,"PDBC43761","136475","Present",NA,NA
+"43762","NSC13713",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13713",NA,"CCN(CC)CCCNC1=CC(=C(C2=C1N=CC=C2)OC)OC.I","NKZHTQBFHWHERX-UHFFFAOYSA-N",24182106,NA,"PDBC43762","13713","Present",NA,NA
+"43763","NSC13728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13728",NA,"CC1=CC(=NC2=C1C=C(C=C2)CC3=CC4=C(C=C3)N=C(C=C4C)N5CCCCC5)N6CCCCC6.Cl","YHTRXCZTLUBYMC-UHFFFAOYSA-N",54599920,NA,"PDBC43763","13728","Present",NA,NA
+"43764","NSC138617",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC138617",NA,"CC(C)C(=N[N+](C)(C)C)C1=CC=CC=C1.[I-]","JTILJZCFRLRRBT-IERUDJENSA-M",5458286,NA,"PDBC43764","138617","Present",NA,NA
+"43765","NSC14078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC14078",NA,"CCN(CC)CCSCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl","AKDHXQZNQGPYFE-UHFFFAOYSA-N",24182054,NA,"PDBC43765","14078","Present",NA,NA
+"43766","NSC141566",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC141566",NA,"C1C2=CC3=CC=CC=C3N=C2C(N1)CC(=O)O.Br","IFAULRFUXYWQKT-UHFFFAOYSA-N",24192636,NA,"PDBC43766","141566","Present",NA,NA
+"43767","NSC143125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC143125",NA,"C1=C(N=C(S1)CCN)C2=NC(=CS2)C(=O)O.Cl","YDNCNQIUICMEIG-UHFFFAOYSA-N",24192750,NA,"PDBC43767","143125","Present",NA,NA
+"43768","NSC143677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC143677",NA,"C1=CC=C2C(=C1)C=CC=C2C(=CC3=CC=NC=C3)C(=O)O","ZKEHLZUJSOVCAW-ATVHPVEESA-N",5771631,NA,"PDBC43768","143677","Present",NA,NA
+"43769","NSC144126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC144126",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NNC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])C","LMOXLBKHYDMUGS-XIGVHWRISA-N",135534701,NA,"PDBC43769","144126","Present",NA,NA
+"43770","NSC144128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC144128",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN(C5=CC=CC=C5)C6=CC=CC=C6)C","DHCPFFIUSWILHF-DMIMNQOMSA-N",135534703,NA,"PDBC43770","144128","Present",NA,NA
+"43771","NSC144694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC144694",NA,"C1=CC=C2C(=C1)C=CC=C2C(=CC3=CC=NC=C3)C(=O)N","OZICVIHHJDBMNI-ATVHPVEESA-N",5771632,NA,"PDBC43771","144694","Present",NA,NA
+"43772","NSC144698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC144698",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O)C(F)(F)F","ZHVNNTSMRZRPNO-UHFFFAOYSA-N",286483,NA,"PDBC43772","144698","Present",NA,NA
+"43773","NSC14500",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC14500",NA,"C1=CC=C2C(=C1)N=CC(=N2)NS(=O)(=O)C3=CC=C(C=C3)N=C(N)N=C(N)NC4=CC=C(C=C4)Br.Cl","PXYFCARFLUTPBR-UHFFFAOYSA-N",54599927,NA,"PDBC43773","14500","Present",NA,NA
+"43774","NSC14555",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC14555",NA,"CN(C)CSC(=NC(C(Cl)(Cl)Cl)O)N","IUBAAKNJVPIKBE-UHFFFAOYSA-N",5458310,NA,"PDBC43774","14555","Present",NA,NA
+"43775","NSC145612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC145612",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN(C)C)C","MLCFJDJPAIZRMR-NLRJTBANSA-N",24192962,NA,"PDBC43775","145612","Present",NA,NA
+"43776","NSC146865",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC146865",NA,"CC(=NOC(=O)C)C1=CC2=CC(=C(C=C2C=C1)OC)OC","RSSSRJQHWMETGQ-LICLKQGHSA-N",5382602,NA,"PDBC43776","146865","Present",NA,NA
+"43777","NSC14711",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC14711",NA,"COC1=CC(=CC2=C1OC(=O)C(=C2)C(=O)O)CN3CCCCC3.Cl","WLTCCKHFNUGUTQ-UHFFFAOYSA-N",54605111,NA,"PDBC43777","14711","Present",NA,NA
+"43778","NSC148077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC148077",NA,NA,NA,NA,NA,"PDBC43778","148077","Present",NA,NA
+"43779","NSC150117",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC150117",NA,"C1CCC(CC1)NC2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C4.Cl","JPATUDRDKCLPTI-CRDKNBMZSA-N",20831631,NA,"PDBC43779","150117","Present",NA,NA
+"43780","NSC150290",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC150290",NA,"C1=CC=C2C(=C1)C(=CC=N2)C=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","MDPNIEWCQQIJPW-YFHOEESVSA-N",54604059,NA,"PDBC43780","150290","Present",NA,NA
+"43781","NSC151176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC151176",NA,"C1=CC(=C(C=C1NC(=O)NC2=C(C=CC(=C2S(=O)(=O)O)Cl)OC3=CC(=C(C=C3)Cl)Cl)Cl)Cl.[Na+]","ZRHXHEDVQGPEIO-UHFFFAOYSA-N",24193358,NA,"PDBC43781","151176","Present",NA,NA
+"43782","NSC15181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC15181",NA,"CC1=C(C(=C(C=C1)C2(CCN(CC2)C)C3=C(C(=C(C=C3)C)O)C)C)O.Cl","GZVBBVCHVDDQJW-UHFFFAOYSA-N",54605123,NA,"PDBC43782","15181","Present",NA,NA
+"43783","NSC152686",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC152686",NA,"CC(C1=CC2=CC(=C(C=C2C=C1)OC)OC)NCC#N.Cl","LUPWJGISTRDYDE-UHFFFAOYSA-N",24193501,NA,"PDBC43783","152686","Present",NA,NA
+"43784","NSC153582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC153582",NA,NA,NA,NA,NA,"PDBC43784","153582","Present",NA,NA
+"43785","NSC15520",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC15520",NA,"CC(C)C1=CC23CCC4C(C2CC1C(C3C(=O)O)C(=O)O)(CCCC4(C)C(=O)O)C.[Na+]","FIOIJEBPJMBSOJ-UHFFFAOYSA-N",24182312,NA,"PDBC43785","15520","Present",NA,NA
+"43786","NSC156130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC156130",NA,"CC1=CCCC2=CC(CC(=CC3C(CC1)C(=C)C(=O)O3)C)OC2=O","KTYZKXFERQUCPX-SXPDDEAFSA-N",5358704,NA,"PDBC43786","156130","Present",NA,NA
+"43787","NSC15623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC15623",NA,"CC1=CC=C(C=C1)[Sb]2OC(C(O2)C(C(C(=O)O)O)O)CO.O.O.[Na+]","SSACIEQDIYHSGW-UHFFFAOYSA-N",24182342,NA,"PDBC43787","15623","Present",NA,NA
+"43788","NSC156265",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC156265",NA,"CN1CCC2(CC1)SC3(CCN(CC3)C)SS2.Cl","PSBXRQGQJAWDEQ-UHFFFAOYSA-N",54610473,NA,"PDBC43788","156265","Present",NA,NA
+"43789","NSC159954",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC159954",NA,"CN=C(NC1=CC=C(C2=CC=CC=C21)OC)SC.I","UCFZSWAOEYTZKP-UHFFFAOYSA-N",24193898,NA,"PDBC43789","159954","Present",NA,NA
+"43790","NSC160054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC160054",NA,"C1=CSC(=C1)C(=NO)CC(C(F)(F)F)(C(F)(F)F)O","ITGUSLGHWMHJRN-FZSIALSZSA-N",5362284,NA,"PDBC43790","160054","Present",NA,NA
+"43791","NSC16087",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC16087",NA,"CC1=C(C=CC(=C1Cl)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)O.[Ca+2]","XWYMTZGVMHZAGI-UHFFFAOYSA-N",135421844,NA,"PDBC43791","16087","Present",NA,NA
+"43792","NSC162404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC162404",NA,"CC1=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N)OC1=O.Cl","YFDJJMGKEZXWRV-UHFFFAOYSA-N",24193971,NA,"PDBC43792","162404","Present",NA,NA
+"43793","NSC163865",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC163865",NA,"C1CC(CN(C1)CC2=CC=CC=C2C(=O)O)C(=O)O.[Ba+2]","ILJZNPFPASCGBL-UHFFFAOYSA-N",54606768,NA,"PDBC43793","163865","Present",NA,NA
+"43794","NSC16685",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC16685",NA,"CC(=CC1=CC2=C(C=C1)OCO2)[N+](=O)[O-]","CCEVJKZHAJJQJR-QPJJXVBHSA-N",5375839,NA,"PDBC43794","16685","Present",NA,NA
+"43795","NSC167452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC167452",NA,"C1C2C3C(C1C(C2OC3=O)Br)C(=O)O","YAUZWMLHLWHCLG-UHFFFAOYSA-N",221498,NA,"PDBC43795","167452","Present",NA,NA
+"43796","NSC16876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC16876",NA,"C1=CC=C(C=C1)C=NNC(=O)CSCC(=O)NN=CC2=CC=CC=C2","KXBZBEIHDZTADD-UHWBUFEVSA-N",54599171,NA,"PDBC43796","16876","Present",NA,NA
+"43797","NSC169925",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC169925",NA,"C[CH-]C(C)O.CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.C1CC[N-]CC1.[Co+2]","CCPVMHAZWLOTJX-DVTASQICSA-N",135539521,NA,"PDBC43797","169925","Present",NA,NA
+"43798","NSC169930",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC169930",NA,"CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.[CH2-]CCN1CCOCC1.C1CC[N-]CC1.[Co+2]","UAFQMDRBAFZPJE-NMBSQECASA-N",135539525,NA,"PDBC43798","169930","Present",NA,NA
+"43799","NSC169931",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC169931",NA,"CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.C1CC[N-]CC1.C1CCC([CH-]C1)O.[Co+2]","MNWKMTYIBUHANQ-NMBSQECASA-N",135539526,NA,"PDBC43799","169931","Present",NA,NA
+"43800","NSC169936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC169936",NA,"CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.C1=CN=CN1.[NH2-].[Fe]","YVHMNOGDBKPNFF-KMGPWXGDSA-N",135539528,NA,"PDBC43800","169936","Present",NA,NA
+"43801","NSC169942",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC169942",NA,"CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.[Cu].[Cu]","HKDPHCBNSVWYSH-JRDGTKAFSA-N",135539530,NA,"PDBC43801","169942","Present",NA,NA
+"43802","NSC169959",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC169959",NA,"[CH3-].[CH3-].CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.CC(=NO)C(=NO)C.[Co].[Co]","QVJJIHZZQJXOES-HOVKTDFUSA-N",135539542,NA,"PDBC43802","169959","Present",NA,NA
+"43803","NSC170423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC170423",NA,"C1C[NH+]2CCC1C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Br-].[Br-]","CPAODXQKEHIFEM-UHFFFAOYSA-M",11986117,NA,"PDBC43803","170423","Present",NA,NA
+"43804","NSC17270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17270",NA,"CCC(C1=CC=C(C=C1)OC)C(CC)C2=CC(=C(C=C2)O)CN3CCCC3.Cl","SCXBDGNMVBAKMH-UHFFFAOYSA-N",54602439,NA,"PDBC43804","17270","Present",NA,NA
+"43805","NSC17271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17271",NA,"CCC(C1=CC=C(C=C1)OC)C(CC)C2=CC(=C(C=C2)O)CN3CCN(CC3)C.Cl","LGZSOLIKKYJEOE-UHFFFAOYSA-N",54602508,NA,"PDBC43805","17271","Present",NA,NA
+"43806","NSC17600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17600",NA,"C1CN=C(N1)C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=CC=C4.Cl","AWOBGJMPQCWIQX-UHFFFAOYSA-N",54598475,NA,"PDBC43806","17600","Present",NA,NA
+"43807","NSC17611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17611",NA,"CC1CN=C(N1)C2=CC=CC(=C2)C3=CC=C(O3)C4=CC=CC=C4.Cl","WKHQPSNTKCLSEU-UHFFFAOYSA-N",54604999,NA,"PDBC43807","17611","Present",NA,NA
+"43808","NSC17612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17612",NA,"CCN(CC)CCOC1=CC=C(C=C1)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl.C(=O)(C(=O)O)O","SKRYSJYQMQHSEE-JCTPKUEWSA-N",54599983,NA,"PDBC43808","17612","Present",NA,NA
+"43809","NSC17647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17647",NA,"CC1=C(C(CCC1)(C)C)CCC(C)NCC2=CC=C(C=C2)OCCCN3CCCCC3.C(=O)(C(=O)O)O","AQENUPFRIPQVSG-UHFFFAOYSA-N",54609095,NA,"PDBC43809","17647","Present",NA,NA
+"43810","NSC17758",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17758",NA,"CCCCCCCCCCCCCCCCCC1=NC(CN1CC(C)O)(C)C","BTAJSNVXTOHSCD-UHFFFAOYSA-N",226866,NA,"PDBC43810","17758","Present",NA,NA
+"43811","NSC17770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17770",NA,"C[N+]1(CCCCC1)NCC[N+]2(CCC3=CC=CC=C3C2)C.[I-]","UDDBILIPNJPUJO-UHFFFAOYSA-M",5351678,NA,"PDBC43811","17770","Present",NA,NA
+"43812","NSC178847",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC178847",NA,"CN(C)CCC(=O)C=CC1=CC=CC=C1.Cl","QFIBMGHTKGVQFG-UOQXYWCXSA-N",54608594,NA,"PDBC43812","178847","Present",NA,NA
+"43813","NSC181099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC181099",NA,"C1=CC=C2C(=C1)C=CC(=N2)NN=CC3=CC=CC=C3O","DWLVYMCSQRJOBF-GZTJUZNOSA-N",135443608,NA,"PDBC43813","181099","Present",NA,NA
+"43814","NSC18298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18298",NA,"CC1=CC2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=CC(=N5)C=C1[N-]2)C)C)CCC(=O)O)C(=C3C)CCC(=O)O.[Cu+2]","YKUQTAQXUFCAJG-UHFFFAOYSA-L",3844272,NA,"PDBC43814","18298","Present",NA,NA
+"43815","NSC18300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18300",NA,"CC1=CC2=CC3=NC(=CC4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CCC(=O)O)CCC(=O)O)C)C=C3C.[Pd+2]","JXQHSNVNYWLQJT-UHFFFAOYSA-L",3821089,NA,"PDBC43815","18300","Present",NA,NA
+"43816","NSC18312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18312",NA,"CC12CCC3C(C1CCC2OP(=O)(O)O)CCC4=C3C=CC(=C4)O.[Na+]","HBJSAFQHCIUHDQ-CMZLOHJFSA-N",54599988,NA,"PDBC43816","18312","Present",NA,NA
+"43817","NSC18320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18320",NA,"CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OP(=O)(O)O.[Na+]","ZJQIXXKCWKCTCE-ZFINNJDLSA-N",54611709,NA,"PDBC43817","18320","Present",NA,NA
+"43818","NSC18430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18430",NA,"CC1=CC(=C(C(=C1)C(C)(C)C)OCCCN2CCOCC2)C(C)(C)C.Cl","UUORUFIOAVZTBX-UHFFFAOYSA-N",54603939,NA,"PDBC43818","18430","Present",NA,NA
+"43819","NSC184692",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC184692",NA,"CCC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC=C(C=C3)C(=O)NC(CC(=O)O)C(=O)O","MALRUKQRDHTJPO-UHFFFAOYSA-N",426244,NA,"PDBC43819","184692","Present",NA,NA
+"43820","NSC185060",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC185060",NA,"C1=CC=C(C=C1)NC(=S)NN=CC2=NC=C(C=C2)O","GFLMEFXWINCBTI-OVCLIPMQSA-N",135443615,NA,"PDBC43820","185060","Present",NA,NA
+"43821","NSC185065",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC185065",NA,"C1=CC(=CN=C1)NC(=S)NN=CC2=NC=C(C=C2)O","AIOMOJQIZSJNIB-VIZOYTHASA-N",135443616,NA,"PDBC43821","185065","Present",NA,NA
+"43822","NSC187494",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC187494",NA,"C1CC2CC1CC2N=C(CSS(=O)(=O)O)N.Cl","QDOADBFDUMNPMV-UHFFFAOYSA-N",24195516,NA,"PDBC43822","187494","Present",NA,NA
+"43823","NSC187510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC187510",NA,"C1CN2CCC1C(C2)N=C(CCl)N.Cl","TYYNDQIHRXGANA-UHFFFAOYSA-N",24195521,NA,"PDBC43823","187510","Present",NA,NA
+"43824","NSC18773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18773",NA,"CC1(C(NC(S1)C(C(=O)OC(C)(C)C)N2C(=O)C3=CC=CC=C3C2=O)C(=O)O)C","QGIHHNDVUYFYBK-UHFFFAOYSA-N",227293,NA,"PDBC43824","18773","Present",NA,NA
+"43825","NSC192734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC192734",NA,"CC1CCC2(C(C3C(O2)CC4C3(OC(=O)CC5C4CCC6C5(CCC(C6)O)C)C)C)OC1","SIDPZFOCVWRMEX-UHFFFAOYSA-N",303607,NA,"PDBC43825","192734","Present",NA,NA
+"43826","NSC194271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC194271",NA,"C1C2CC3CC1CC(C2)(C3)CN=C(CSSCC(=NCC45CC6CC(C4)CC(C6)C5)N)N.Cl","KNPLWHWWQYIUBY-UHFFFAOYSA-N",54610572,NA,"PDBC43826","194271","Present",NA,NA
+"43827","NSC19995",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC19995",NA,"C1=NC2=C(N1)C(=NC=N2)N(CCO)CCO","HDFTZBLKBXGFGD-UHFFFAOYSA-N",522083,NA,"PDBC43827","19995","Present",NA,NA
+"43828","NSC200736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC200736",NA,"C.CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)COC(=O)C1O)C)CO4","UYMAFCXKKGDQQU-CAOZSPNBSA-N",54599389,NA,"PDBC43828","200736","Present",NA,NA
+"43829","NSC202789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC202789",NA,"CC1=C(C(CCC1)(C)C)C=CC(=O)O","RCVGWZAQWMJQHG-VOTSOKGWSA-N",5383969,NA,"PDBC43829","202789","Present",NA,NA
+"43830","NSC20532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC20532",NA,"CCN(CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl)CCO.Cl","ZMACPTXQCHCWIK-UHFFFAOYSA-N",24182794,NA,"PDBC43830","20532","Present",NA,NA
+"43831","NSC20535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC20535",NA,"CCN(CC)CCCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O.Cl","PGVVDHZYVYDHHI-UHFFFAOYSA-N",54611703,NA,"PDBC43831","20535","Present",NA,NA
+"43832","NSC206601",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC206601",NA,"C1=CC2=C(C=C1Cl)C(=CS2(=O)=O)CC(C(=O)O)N.Cl","IEGOMEPZISUTIT-UHFFFAOYSA-N",24195975,NA,"PDBC43832","206601","Present",NA,NA
+"43833","NSC207896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC207896",NA,"CNC(=S)NN=CCSCC=NNC(=S)NC","MIKGWDUMKVRKAY-HMMKTVFPSA-N",9554794,NA,"PDBC43833","207896","Present",NA,NA
+"43834","NSC208823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC208823",NA,NA,NA,NA,NA,"PDBC43834","208823","Present",NA,NA
+"43835","NSC208885",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC208885",NA,NA,NA,NA,NA,"PDBC43835","208885","Present",NA,NA
+"43836","NSC20911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC20911",NA,NA,NA,NA,NA,"PDBC43836","20911","Present",NA,NA
+"43837","NSC210595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC210595",NA,"CCCC1=CC=NC=C1.CC(=NO)C(=N[O-])C.CC(=NO)C(=N[O-])C.[Cl-].[Cl-].[Rh+3]","CHADGYGITBZNCS-LORNORSTSA-J",135539671,NA,"PDBC43837","210595","Present",NA,NA
+"43838","NSC211736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC211736",NA,"C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C3=NC4=NC=NC(=C4N3)N)(C5=CC=CC=C5)C6=CC=CC=C6.Br.[Br-]","CVFYTHIXHJPVQX-UHFFFAOYSA-M",5458435,NA,"PDBC43838","211736","Present",NA,NA
+"43839","NSC21435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC21435",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C(=O)C=CC(=N2)OC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","NQTYRTCISNIAEE-UHFFFAOYSA-N",228481,NA,"PDBC43839","21435","Present",NA,NA
+"43840","NSC21531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC21531",NA,"COC1=CC=C(C=C1)C2(C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC=CC=C5)Cl","JFGXQMZJWOMCOV-UHFFFAOYSA-N",228542,NA,"PDBC43840","21531","Present",NA,NA
+"43841","NSC21702",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC21702",NA,"CC(C)CNC1=NC2=NC=NC(=C2N1)N.Br","IMKIESPFYBOWMT-UHFFFAOYSA-N",54609326,NA,"PDBC43841","21702","Present",NA,NA
+"43842","NSC21706",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC21706",NA,"C1CN(CCN1CCO)C2=NC3=NC=NC(=C3N2)N.Cl","XHKPAWGSLUECNG-UHFFFAOYSA-N",54603570,NA,"PDBC43842","21706","Present",NA,NA
+"43843","NSC218440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC218440",NA,"C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)[N+](=O)[O-])[N+](=O)[O-].CS(=O)(=O)[O-]","FAIGLEXIJYWQJJ-UHFFFAOYSA-O",54610585,NA,"PDBC43843","218440","Present",NA,NA
+"43844","NSC221662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC221662",NA,"CNC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","RRCKMQLZGKWNPR-HNNXBMFYSA-N",312287,NA,"PDBC43844","221662","Present",NA,NA
+"43845","NSC22205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC22205",NA,"C1=CC(=O)C2C(C1=O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl","NLQWHIOPRSWUAS-UHFFFAOYSA-N",228947,NA,"PDBC43845","22205","Present",NA,NA
+"43846","NSC22227",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC22227",NA,"C1=CSC(=C1)[Hg]N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl","DASRGHSNPRITOL-UHFFFAOYSA-M",409568,NA,"PDBC43846","22227","Present",NA,NA
+"43847","NSC23193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC23193",NA,"C1=C(C=C(C(=C1C(C2=C(C(=CC(=C2)Cl)Cl)O)C(Cl)(Cl)Cl)O)Cl)Cl","IHHXFGBJTXWXHB-UHFFFAOYSA-N",229471,NA,"PDBC43847","23193","Present",NA,NA
+"43848","NSC233872",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC233872",NA,"CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CSC","OEDKPFMHPGEJKW-ONEGZZNKSA-N",5351269,NA,"PDBC43848","233872","Present",NA,NA
+"43849","NSC234766",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC234766",NA,"C1CCN2C(C1)C3C4C(C2C5=CC=CC=C35)C(=O)N(C4=O)C6=CC=C(C=C6)OCC7=CC=CC=C7","WQDOIHGLAYPEJV-UHFFFAOYSA-N",54604506,NA,"PDBC43849","234766","Present",NA,NA
+"43850","NSC23676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC23676",NA,"CC(C)N(CC1=CC=C(C=C1)CN(C(C)C)C(=O)CCl)C(=O)CCl","LARPVVIIIJLGEH-UHFFFAOYSA-N",229748,NA,"PDBC43850","23676","Present",NA,NA
+"43851","NSC23904",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC23904",NA,"CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)C5CCCN(C5)C)O)C)O.Cl","QQWMXXDGDWPAEG-UHFFFAOYSA-N",54598822,NA,"PDBC43851","23904","Present",NA,NA
+"43852","NSC23922",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC23922",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)N)C)C.Cl","SQCCBMPNGQRZMK-CUTGYCSOSA-N",54601761,NA,"PDBC43852","23922","Present",NA,NA
+"43853","NSC23925",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC23925",NA,"COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(C4CCCCN4)O.Cl","XDCQPCFYXQGEGY-UHFFFAOYSA-N",54601129,NA,"PDBC43853","23925","Present",NA,NA
+"43854","NSC24047",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC24047",NA,"CN(CCC1=CC=CC=N1)C2=CC3=C(C=C2)C4=CC=CC=C4C3.I","RVLCNSHYBJALIJ-UHFFFAOYSA-N",24183114,NA,"PDBC43854","24047","Present",NA,NA
+"43855","NSC244402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC244402",NA,"CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C(=C2C5SCCS5)O)O)C","GCEUDIONNAAMRI-NISGPDFNSA-N",5358295,NA,"PDBC43855","244402","Present",NA,NA
+"43856","NSC247535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC247535",NA,"C1=C(NC=N1)C(C(C(=O)O)N)O.Cl","LQDUIZNPJZDBTI-UHFFFAOYSA-N",24197065,NA,"PDBC43856","247535","Present",NA,NA
+"43857","NSC248568",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC248568",NA,NA,NA,NA,NA,"PDBC43857","248568","Present",NA,NA
+"43858","NSC255980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC255980",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC=C3OC4C(C(C(C(O4)CO)O)O)O.[K+]","PCUPBZRSKVXLQJ-UHFFFAOYSA-N",54600548,NA,"PDBC43858","255980","Present",NA,NA
+"43859","NSC256440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC256440",NA,"COC1=CC(=C(C=C1C=CC2=NC=CC3=CC=CC=C32)OC)OC","IRRXVUZUTRHHKJ-HJWRWDBZSA-N",54598380,NA,"PDBC43859","256440","Present",NA,NA
+"43860","NSC256442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC256442",NA,"COC1=CC(=C(C(=C1)OC)C=CC2=CC=NC3=CC=CC=C23)OC","TZZOUOFCPOEBHI-HJWRWDBZSA-N",54601750,NA,"PDBC43860","256442","Present",NA,NA
+"43861","NSC256890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC256890",NA,NA,NA,NA,NA,"PDBC43861","256890","Present",NA,NA
+"43862","NSC26081",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC26081",NA,"CN(C)CCC(=O)C1=CC=C(C2=CC=CC=C21)OC.Cl","LDLYKYCTJMXHRV-UHFFFAOYSA-N",54604954,NA,"PDBC43862","26081","Present",NA,NA
+"43863","NSC26111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC26111",NA,"C1=CC(=C(C=C1Cl)Cl)C=C2C(=C(C(=C2Cl)Cl)Cl)Cl","HDNRJBPQWIJEIW-UHFFFAOYSA-N",230811,NA,"PDBC43863","26111","Present",NA,NA
+"43864","NSC261579",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC261579",NA,NA,NA,NA,NA,"PDBC43864","261579","Present",NA,NA
+"43865","NSC26349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC26349",NA,"CC1(C2CCC(C2)(C1OC(=O)C3=CC=CC=C3C(=O)O)C)C","JQPMUVLMMAFMKZ-UHFFFAOYSA-N",230919,NA,"PDBC43865","26349","Present",NA,NA
+"43866","NSC268708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC268708",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)O)N)O.Cl","OFTDQPCDVVYOSS-MGDVTPSISA-N",24197650,NA,"PDBC43866","268708","Present",NA,NA
+"43867","NSC269207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC269207",NA,NA,NA,NA,NA,"PDBC43867","269207","Present",NA,NA
+"43868","NSC272694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC272694",NA,"COC1=C(C=C2C3CC(CC4N3CCCC4)OC(=O)C=CC5=CC(=C(C=C5)O)C2=C1)O","CDTGNBVPXHNHGE-VURMDHGXSA-N",5358708,NA,"PDBC43868","272694","Present",NA,NA
+"43869","NSC273808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC273808",NA,"CC1CC[P+](C2=C1C=CC3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]","FYECJQYICJMTDE-UHFFFAOYSA-M",24197799,NA,"PDBC43869","273808","Present",NA,NA
+"43870","NSC273907",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC273907",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCSS(=O)(=O)O.[Na+]","IRJHGCDAAIENGE-UHFFFAOYSA-N",54610759,NA,"PDBC43870","273907","Present",NA,NA
+"43871","NSC27417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC27417",NA,"CCCCC(CCCCCC(CCCC)C1C2=CC(=C(C=C2CC(N1)C)OC)OC)C3C4=CC(=C(C=C4CC(N3)C)OC)OC.Cl","RQWUPZXAJVJLSP-UHFFFAOYSA-N",24183467,NA,"PDBC43871","27417","Present",NA,NA
+"43872","NSC280471",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC280471",NA,NA,NA,NA,NA,"PDBC43872","280471","Present",NA,NA
+"43873","NSC281300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC281300",NA,"CC1CC2=CC3=C(C=C2N(CCC4=CC(=C(C=C14)O)OC)C)OCO3.Cl","JWVVSQTWTCEXEJ-UHFFFAOYSA-N",24197985,NA,"PDBC43873","281300","Present",NA,NA
+"43874","NSC28560",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC28560",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCN","BBHBBFNAIGRZEZ-UHFFFAOYSA-N",231822,NA,"PDBC43874","28560","Present",NA,NA
+"43875","NSC28566",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC28566",NA,"CC(CCNCCCNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)O.Cl","DKFBZYCLVJIMOT-UHFFFAOYSA-N",24183616,NA,"PDBC43875","28566","Present",NA,NA
+"43876","NSC28567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC28567",NA,"CC(CNCCNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O.[Cl-]","ZCMCNRORUBONDN-UHFFFAOYSA-M",24183617,NA,"PDBC43876","28567","Present",NA,NA
+"43877","NSC28568",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC28568",NA,"CC(C)(CNCCNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O.[Cl-]","REKPAFCONBBRTC-UHFFFAOYSA-M",24183618,NA,"PDBC43877","28568","Present",NA,NA
+"43878","NSC28569",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC28569",NA,"COC1=C(C=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])NCCCNCCO)OC.[Cl-]","BRGPTRWGORGSOA-UHFFFAOYSA-M",24183619,NA,"PDBC43878","28569","Present",NA,NA
+"43879","NSC287499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC287499",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)P(=O)(O)O","YNZCDMKQVUVWQC-CSKARUKUSA-N",5458577,NA,"PDBC43879","287499","Present",NA,NA
+"43880","NSC288003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC288003",NA,"CC12CCC3C4CCC(=O)NC4(CCC3C1(CCC(C2)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl)C)C","NVRRKGOJPMOAEG-YDVZVXLRSA-N",324078,NA,"PDBC43880","288003","Present",NA,NA
+"43881","NSC29016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC29016",NA,"CC1=CC(=C(C(=C1C2=C(C(=C(C(=C2Br)O)C3=C(C(=C(C=C3C)C)Br)C)Br)O)C)Br)C","HXLAFKYCDZWECC-UHFFFAOYSA-N",232014,NA,"PDBC43881","29016","Present",NA,NA
+"43882","NSC290205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC290205",NA,"CC12CCC(CC1CCC3C2CCC4(C3CCC(=O)N4)C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl","JMZJBCNHUJOLER-UHFFFAOYSA-N",431186,NA,"PDBC43882","290205","Present",NA,NA
+"43883","NSC294526",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC294526",NA,NA,NA,NA,NA,"PDBC43883","294526","Present",NA,NA
+"43884","NSC294814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC294814",NA,"CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3","MMEBJLATRATDOX-LDADJPATSA-N",5361900,NA,"PDBC43884","294814","Present",NA,NA
+"43885","NSC295391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC295391",NA,"C1C(C(OC1N2C=C(C3=C(N=CN=C32)N)C(=O)N)CO)O","SSAXPGYDNCGRHY-UHFFFAOYSA-N",325842,NA,"PDBC43885","295391","Present",NA,NA
+"43886","NSC295499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC295499",NA,"COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC(=O)N5CCOCC5)O)C2=NC6=CC=CC=C61","YVNNIWKSNZPQOZ-UHFFFAOYSA-N",325910,NA,"PDBC43886","295499","Present",NA,NA
+"43887","NSC295500",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC295500",NA,"COC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC(=O)OC)O)C2=NC5=CC=CC=C51","JKMYAMJUZUUXBQ-UHFFFAOYSA-N",325911,NA,"PDBC43887","295500","Present",NA,NA
+"43888","NSC295501",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC295501",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)OC)O","WJNQIJDZEGIYCZ-UHFFFAOYSA-N",325912,NA,"PDBC43888","295501","Present",NA,NA
+"43889","NSC295642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC295642",NA,NA,NA,NA,NA,"PDBC43889","295642","Present",NA,NA
+"43890","NSC296301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC296301",NA,"CC(=NNC(=S)NC1CCCCC1)C2=CC=CC=N2","NHLSZYPMCMMCMK-GZTJUZNOSA-N",5371198,NA,"PDBC43890","296301","Present",NA,NA
+"43891","NSC299190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC299190",NA,"COC1=CC2=C[N+]3=C(C=C2C=C1O)C4=CC(=C(C=C4C=C3)OC)OC.[Cl-]","GZGVRTLIXLSQFP-UHFFFAOYSA-N",24198554,NA,"PDBC43891","299190","Present",NA,NA
+"43892","NSC30019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC30019",NA,"CCN(CC)CCCC(C1=CC=C(C=C1)Cl)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC.Cl","SIFSGTWPFLQCJS-UHFFFAOYSA-N",24182300,NA,"PDBC43892","30019","Present",NA,NA
+"43893","NSC30198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC30198",NA,"CC1=CC(=C2C=C(C=CC2=N1)Cl)NCCCCCCNC3=C4C=C(C=CC4=NC(=C3)C)Cl.Cl","PLTRTFAQAZIJBR-UHFFFAOYSA-N",24183788,NA,"PDBC43893","30198","Present",NA,NA
+"43894","NSC305787 (hydrochloride)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6,8-dichloro-2-adamantylquinolin-4-yl)-(piperidin-2-yl)...",NA,"C1CCNC(C1)C(C2=CC(=NC3=C2C=C(C=C3Cl)Cl)C45CC6CC(C4)CC(C6)C5)O.Cl","JQALIVSYOXLOBE-UHFFFAOYSA-N",54607543,NA,"PDBC43894","305787","Present",NA,NA
+"43895","NSC305805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC305805",NA,"CC1=C2C=C(C=C(C2=NC=C1)NC(C)CCCN)OC.OP(=O)(O)O","FANCDCGGVHVCDB-UHFFFAOYSA-N",54601617,NA,"PDBC43895","305805","Present",NA,NA
+"43896","NSC306698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC306698",NA,"CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2O)C.CC1=CC(=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C=C2[O-])C.[Ni+2]","VTKTXPZDLMLASC-UHFFFAOYSA-M",6711223,NA,"PDBC43896","306698","Present",NA,NA
+"43897","NSC3081",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC3081",NA,"CCCCCCC1N=C(N=C(N1C2=CC=C(C=C2)Cl)N)N.Cl","YGAWNXDAVZMWCS-UHFFFAOYSA-N",24180954,NA,"PDBC43897","3081","Present",NA,NA
+"43898","NSC309962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC309962",NA,NA,NA,NA,NA,"PDBC43898","309962","Present",NA,NA
+"43899","NSC310547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC310547",NA,NA,NA,NA,NA,"PDBC43899","310547","Present",NA,NA
+"43900","NSC310551",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC310551",NA,NA,NA,NA,NA,"PDBC43900","310551","Present",NA,NA
+"43901","NSC310669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC310669",NA,"COC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N","VKSRAKNPXOTFAX-UHFFFAOYSA-N",100022,NA,"PDBC43901","310669","Present",NA,NA
+"43902","NSC314622",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC314622",NA,"CN1C2=C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C42)OCO5","LWLNFIXOPOZENE-UHFFFAOYSA-N",329826,NA,"PDBC43902","314622","Present",NA,NA
+"43903","NSC31692",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC31692",NA,"CC(=O)C(=CC1=CC=C(C=C1)Cl)C2=CC=CC=C2","OHUPHNWMLWIYGY-LFIBNONCSA-N",5898667,NA,"PDBC43903","31692","Present",NA,NA
+"43904","NSC31778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC31778",NA,"CCN(CC)C1=CC(=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C)C.Cl.[Cl-]","ZHADVXQBQNXURV-UHFFFAOYSA-M",54603354,NA,"PDBC43904","31778","Present",NA,NA
+"43905","NSC31779",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC31779",NA,"CC1(C2=CC=CC=C2N(C1=CC(C(C3=[N+](C4=CC=CC=C4C3(C)C)C)I)I)C)C.[Cl-]","IPSCFKKYZIVWAL-XGRJIHFXSA-M",54603015,NA,"PDBC43905","31779","Present",NA,NA
+"43906","NSC319095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC319095",NA,"C1CC2(CN(C1)CC3=CC=CC=C3)NC(CS2)C(=O)O.Cl","IYCRPYKKEADDNT-UHFFFAOYSA-N",54612218,NA,"PDBC43906","319095","Present",NA,NA
+"43907","NSC321206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC321206",NA,NA,NA,NA,NA,"PDBC43907","321206","Present",NA,NA
+"43908","NSC321240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC321240",NA,NA,NA,NA,NA,"PDBC43908","321240","Present",NA,NA
+"43909","NSC32178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC32178",NA,"CCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC2=CC=CC=C2.[Cl-]","NNHOXJOMRDSFOB-UHFFFAOYSA-M",24183968,NA,"PDBC43909","32178","Present",NA,NA
+"43910","NSC32196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC32196",NA,"C1=CC=C(C=C1)CC(C2=CC=CC=C2)NCCNC(CC3=CC=CC=C3)C4=CC=CC=C4.Cl","ORKVNKJCROSHTI-UHFFFAOYSA-N",54609080,NA,"PDBC43910","32196","Present",NA,NA
+"43911","NSC32198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC32198",NA,"CC(CNC(CC1=CC=CC=C1)C2=CC=CC=C2)NC(CC3=CC=CC=C3)C4=CC=CC=C4.Cl","ZDHAECDLKAYAQG-UHFFFAOYSA-N",54603355,NA,"PDBC43911","32198","Present",NA,NA
+"43912","NSC328201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC328201",NA,NA,NA,NA,NA,"PDBC43912","328201","Present",NA,NA
+"43913","NSC3283",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC3283",NA,"C[N+]1(CCCC1C2CCCN(C2)CC3=CC(=C(C=C3)Cl)Cl)CC4=CC(=C(C=C4)Cl)Cl","VCNWWPPKTLBCIZ-UHFFFAOYSA-N",54599875,NA,"PDBC43913","3283","Present",NA,NA
+"43914","NSC329277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC329277",NA,"CCOC1=CC=CC(=C1O)C=NN=C2C3=C(C(=CC(=C3)Cl)Cl)NC2=O","XCMWBFVQBQQOBO-DNTJNYDQSA-N",135452599,NA,"PDBC43914","329277","Present",NA,NA
+"43915","NSC329279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC329279",NA,"C1=COC(=C1)C=NN=C2C3=C(C(=CC(=C3)Cl)Cl)NC2=O","QKVSXVIETMDKAJ-OMCISZLKSA-N",135452601,NA,"PDBC43915","329279","Present",NA,NA
+"43916","NSC330463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC330463",NA,NA,NA,NA,NA,"PDBC43916","330463","Present",NA,NA
+"43917","NSC333003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC333003",NA,"C1=CC=C(C=C1)C(=NNC2=NC3=CC=CC=C3S2)C4=CC=CC=N4","YAMFSZLGGBDHDG-RELWKKBWSA-N",5458748,NA,"PDBC43917","333003","Present",NA,NA
+"43918","NSC33410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC33410",NA,"COC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)NC(=O)C4=CC=CC=C4","XTSSXTWGEJTWBM-FQEVSTJZSA-N",46151,NA,"PDBC43918","33410","Present",NA,NA
+"43919","NSC33413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC33413",NA,"CCCCC(CC)COC(=O)C[N+](C)(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]","QCXRSMCYSDEVPI-UHFFFAOYSA-M",24184161,NA,"PDBC43919","33413","Present",NA,NA
+"43920","NSC334352",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC334352",NA,"CN(C)CCNC1=C2C(=C(C=C1)CO)SC3=C(C2=O)C=C(C=C3)O","YDQFGJFCLNZQJY-UHFFFAOYSA-N",333459,NA,"PDBC43920","334352","Present",NA,NA
+"43921","NSC33467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC33467",NA,"CC[N+]1=C(C=CC2=C1C=CC(=C2)C)C=CC3=CC=C(C=C3)N(CC)CC.[Cl-]","QKPVNWPUSANAKZ-UHFFFAOYSA-M",54605652,NA,"PDBC43921","33467","Present",NA,NA
+"43922","NSC33553",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC33553",NA,"CC1=CC=C(C=C1)C(CN(C)C)C(=O)C2=CC=CC=C2.Cl","UGGKTUKSIOVZNK-UHFFFAOYSA-N",54605655,NA,"PDBC43922","33553","Present",NA,NA
+"43923","NSC335791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC335791",NA,"CCCC(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3","SXEPBWUAUNIYCG-LVZFUZTISA-N",5921457,NA,"PDBC43923","335791","Present",NA,NA
+"43924","NSC335794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC335794",NA,"CCCC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=CC=CC=N3","TYTDQQOGLGLLNX-OQKWZONESA-N",5930549,NA,"PDBC43924","335794","Present",NA,NA
+"43925","NSC33719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC33719",NA,"C1CN=C(N1)SCC(=O)NC2=CC=CC=C2.Cl","YPGQWXYRKMTUBE-UHFFFAOYSA-N",16249473,NA,"PDBC43925","33719","Present",NA,NA
+"43926","NSC337817",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC337817",NA,"C1CC(=NNC(=O)N)C(CC1O)CC(=O)O","GFUGHMNSMAXSJC-XFFZJAGNSA-N",5458760,NA,"PDBC43926","337817","Present",NA,NA
+"43927","NSC337857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC337857",NA,NA,NA,NA,NA,"PDBC43927","337857","Present",NA,NA
+"43928","NSC339316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC339316",NA,"CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=NC=CN=C3","HCNCHPUSRLRNJS-WQRHYEAKSA-N",5481306,NA,"PDBC43928","339316","Present",NA,NA
+"43929","NSC339480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC339480",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Br)C(=O)O2","FKVLAHXEKNXHCF-UVTDQMKNSA-N",1549540,NA,"PDBC43929","339480","Present",NA,NA
+"43930","NSC339600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC339600",NA,"CC1=CC(=NC(=C1C#N)SCC(=O)C2=C([N+]3=C(C=C(C(=C3S2)C#N)C)C)[O-])C","YHKREOVCHMFQOL-UHFFFAOYSA-N",24199701,NA,"PDBC43930","339600","Present",NA,NA
+"43931","NSC339614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC339614",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=CC3=NON=C23)S(=O)(=O)O.[K+]","USKSVJAMFHMGIJ-UHFFFAOYSA-N",54601921,NA,"PDBC43931","339614","Present",NA,NA
+"43932","NSC34008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC34008",NA,"CC1=C(C(=CC=C1)Cl)NCC(CN2CCN(CC2)C)O.Cl","SCOFUWSVODOKIL-UHFFFAOYSA-N",24184288,NA,"PDBC43932","34008","Present",NA,NA
+"43933","NSC34046",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC34046",NA,"CCC(=CC1=CC=C(C=C1)N(C)C)C2=CC=NC=C2","ONNMQUCZUHOJPE-FYWRMAATSA-N",6080793,NA,"PDBC43933","34046","Present",NA,NA
+"43934","NSC346243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC346243",NA,"CC(CCC1=CC2=C(C=C1)N(C3=C(C2=N)C=CC(=C3)N)O)CC(C)(C)C.Cl","BSQPXRGEZCYROU-UHFFFAOYSA-N",24199848,NA,"PDBC43934","346243","Present",NA,NA
+"43935","NSC34749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC34749",NA,"CNC(CC1=CC=CC=C1)C2=C(C(=CC=C2)OC)O.Cl","HGTSCAHEZBBUHW-UHFFFAOYSA-N",54605247,NA,"PDBC43935","34749","Present",NA,NA
+"43936","NSC34908",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC34908",NA,"C1=CC=C2C(=C1)C=CC=C2C(=CC3=CC=C(C=C3)O)C(=O)O","WCWSHQWULMKEEQ-PDGQHHTCSA-N",5771547,NA,"PDBC43936","34908","Present",NA,NA
+"43937","NSC35049",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC35049",NA,"CC(C)C1=CC=C(C=C1)C=C2C=C(OC2=O)C3=CC4=CC=CC=C4C=C3","NTKKXMINIPBLPE-XKZIYDEJSA-N",16677988,NA,"PDBC43937","35049","Present",NA,NA
+"43938","NSC350545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC350545",NA,"CC1=CC(=O)OC2=C3C(=COC3=C(C=C12)OCC(=O)OCCN4CCCCC4)C.Cl","DWIKWVPUASYFPD-UHFFFAOYSA-N",12793966,NA,"PDBC43938","350545","Present",NA,NA
+"43939","NSC351075",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC351075",NA,"CC(=C1C=CC=CN1O)N=NC(=S)N2CCCCCC2","GFJNMNNUJLCZEE-ASPATJOSSA-N",44383484,NA,"PDBC43939","351075","Present",NA,NA
+"43940","NSC352670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC352670",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C(=C3)OCC5=CC=CC=C5)OC)OC)OC)OC.CS(=O)(=O)O","KKSKTPUCMSLMRQ-UHFFFAOYSA-N",434589,NA,"PDBC43940","352670","Present",NA,NA
+"43941","NSC353647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC353647",NA,"CC(C1=CC=C(C=C1)OC)C2=CC3=C(C=C2O)OCO3","QMDPKFZRXHOXTD-UHFFFAOYSA-N",337029,NA,"PDBC43941","353647","Present",NA,NA
+"43942","NSC356128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC356128",NA,"CC(=NNC(=S)NC1=CC=C(C=C1)C(=O)O)C2=CC=CC=N2","GXSXJJYJTWZVGQ-VCHYOVAHSA-N",5464852,NA,"PDBC43942","356128","Present",NA,NA
+"43943","NSC357777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC357777",NA,"C1=CC=C2C(=C1)C3=C(N2)C(=C(C=C3)O)N=NC4=CC=C(C=C4)C(=N)N.Cl","LTXHVKMADPBZBC-UHFFFAOYSA-N",135443452,NA,"PDBC43943","357777","Present",NA,NA
+"43944","NSC358285",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC358285",NA,"C1=C(N=C(S1)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)N","INQLNSVYIFCUML-UHFFFAOYSA-N",337960,NA,"PDBC43944","358285","Present",NA,NA
+"43945","NSC35855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC35855",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)NC4=C(C(=O)C5=CC=CC=C5C4=O)Cl)NC6=C(C(=O)C7=CC=CC=C7C6=O)Cl","NIAYYCCRADTAIY-UHFFFAOYSA-N",5355426,NA,"PDBC43945","35855","Present",NA,NA
+"43946","NSC359454",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC359454",NA,"C1CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CS(=O)(=O)CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C1","KODOIJDVBKKEEB-VOKWCDJLSA-N",6148974,NA,"PDBC43946","359454","Present",NA,NA
+"43947","NSC360209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC360209",NA,"CN1C2CCC1C=C(C2)C3=CC=CC=C3","UXLXGUFVIVPRHL-UHFFFAOYSA-N",338925,NA,"PDBC43947","360209","Present",NA,NA
+"43948","NSC360218",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC360218",NA,"CC1CN(CCN1CC2=CC=C(O2)C)CC3=CC=C(O3)C.Cl","YWUAKDQIGAHZMD-UHFFFAOYSA-N",54601895,NA,"PDBC43948","360218","Present",NA,NA
+"43949","NSC361429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC361429",NA,"C1=CC2C3C(C1C4C2C(=O)N(C4=O)CO)C5C3C(=O)N(C5=O)CO","PCKOSQUZBKKIPS-UHFFFAOYSA-N",338502,NA,"PDBC43949","361429","Present",NA,NA
+"43950","NSC361792",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC361792",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)O","PKYOHQGXPPVIGD-UHFFFAOYSA-N",434973,NA,"PDBC43950","361792","Present",NA,NA
+"43951","NSC361813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC361813",NA,"CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCN(CC7)C","AHOKCVUTHKNVPX-UHFFFAOYSA-N",338632,NA,"PDBC43951","361813","Present",NA,NA
+"43952","NSC361814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC361814",NA,"C1CSCCN1CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCSCC7","ZHGBLCZCVRDEAK-UHFFFAOYSA-N",338633,NA,"PDBC43952","361814","Present",NA,NA
+"43953","NSC361815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC361815",NA,"C1COCCN1CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCOCC7","JRKLWXCGSHKFMW-UHFFFAOYSA-N",338634,NA,"PDBC43953","361815","Present",NA,NA
+"43954","NSC36359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC36359",NA,"C1CCC2=C(C1)C=CC(=C2)C(=O)C[N+]3=CC=CC4=C3C=CC(=C4)Cl.[Br-]","HSTMGQSKPCTALP-UHFFFAOYSA-M",24184856,NA,"PDBC43954","36359","Present",NA,NA
+"43955","NSC363997",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC363997",NA,"C1=CC2=C(C(=C1)NCCNCCO)C(=O)C3=C(C2=O)C(=CC=C3)NCCNCCO.Cl","LKRGAEYZCIYMPB-UHFFFAOYSA-N",54612250,NA,"PDBC43955","363997","Present",NA,NA
+"43956","NSC364188",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC364188",NA,"CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCN(CC7)C.Cl","IBNRBPVYVIHUCM-UHFFFAOYSA-N",49861682,NA,"PDBC43956","364188","Present",NA,NA
+"43957","NSC366163",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC366163",NA,"CN1C(=CN=C1CN2CCN(CC2)CCO)[N+](=O)[O-]","HFDSCTCNNRNJIE-UHFFFAOYSA-N",338717,NA,"PDBC43957","366163","Present",NA,NA
+"43958","NSC366370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC366370",NA,"C1=CC2C3C(C1C4C2C(=O)N(C4=O)CO)C(=O)N(C3=O)CO","QSVYAVFXEIKNMM-IRLGLTFLSA-N",339505,NA,"PDBC43958","366370","Present",NA,NA
+"43959","NSC368671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC368671",NA,"CCCCCCCCC=CCC(=O)OC1C2C(=C)C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O","RULBXOABLNFKRW-OUKQBFOZSA-N",5477924,NA,"PDBC43959","368671","Present",NA,NA
+"43960","NSC368672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC368672",NA,"CCCCCC(=CCC(=O)OC1C2C(=C)C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C","JNBOCJQZCHEASA-XNTDXEJSSA-N",5477925,NA,"PDBC43960","368672","Present",NA,NA
+"43961","NSC369310",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC369310",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC.C1=CC=CC=C1","BCRANABGBDJPMM-QBYKQQEBSA-N",340032,NA,"PDBC43961","369310","Present",NA,NA
+"43962","NSC370791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC370791",NA,"C1C(C(C2C1O2)S(=O)(=O)C3=CC=CC=C3)O","ZXFSRTFQBKAVGK-LNFKQOIKSA-N",340332,NA,"PDBC43962","370791","Present",NA,NA
+"43963","NSC371010",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC371010",NA,"CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","SMDGYUXIZWCCHF-UHFFFAOYSA-N",146609,NA,"PDBC43963","371010","Present",NA,NA
+"43964","NSC372209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC372209",NA,"C1=CC2C3C(C1C4C2C(=O)N(C4=O)COC(=O)CN)C5C3C(=O)N(C5=O)COC(=O)CN.C(=O)(C(F)(F)F)O","WJGCBJYBDMLJDB-UHFFFAOYSA-N",54611183,NA,"PDBC43964","372209","Present",NA,NA
+"43965","NSC372474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC372474",NA,NA,NA,NA,NA,"PDBC43965","372474","Present",NA,NA
+"43966","NSC37248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37248",NA,"CC(C)CCN(CCC(C)C)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CN(CCC(C)C)CCC(C)C","KGVLTUVMOVHKDD-UHFFFAOYSA-N",235636,NA,"PDBC43966","37248","Present",NA,NA
+"43967","NSC37249",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37249",NA,"C1CCC(CC1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CN(C4CCCCC4)C5CCCCC5)C6CCCCC6","JQYJJPSTWWRURQ-UHFFFAOYSA-N",235637,NA,"PDBC43967","37249","Present",NA,NA
+"43968","NSC372546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC372546",NA,NA,NA,NA,NA,"PDBC43968","372546","Present",NA,NA
+"43969","NSC372547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC372547",NA,NA,NA,NA,NA,"PDBC43969","372547","Present",NA,NA
+"43970","NSC37261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37261",NA,"C1=CC(=CC=C1CC2=CC=C(C=C2)NC(=O)CCl)NC(=O)CCl","SVQWRVUVTZFTFO-UHFFFAOYSA-N",235647,NA,"PDBC43970","37261","Present",NA,NA
+"43971","NSC373529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC373529",NA,"CC(=O)O.CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)CN7CCN(CC7)C","XDUQDAZUBUSQSK-UHFFFAOYSA-N",3246685,NA,"PDBC43971","373529","Present",NA,NA
+"43972","NSC37372",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37372",NA,"C1CCN(CC1)CCN2N=C(N=N2)C3=CC=CC=C3.Cl","GAHPZEORDWQEHD-UHFFFAOYSA-N",3030625,NA,"PDBC43972","37372","Present",NA,NA
+"43973","NSC373961",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC373961",NA,"CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8.CC(=O)O","LYCYLGFSIXIXAB-UHFFFAOYSA-N",25074998,NA,"PDBC43973","373961","Present",NA,NA
+"43974","NSC373962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC373962",NA,"CC(C)CC(C(=NC(CCCN=C(N)N)C(=O)N1CCCC1C(=NC(C)C(=N)O)O)O)N=C(C(CCCN=C(N)N)N=C(C(CC2=CC=C(C=C2)O)N=C(C(CO)N=C(C(CC3=CNC4=CC=CC=C43)N=C(C(CC5=CC=C(C=C5)Cl)N=C(C(CC6=CC7=CC=CC=C7C=C6)N=C(C)O)O)O)O)O)O)O","JXMOHODZIZFJSB-UHFFFAOYSA-N",54604662,NA,"PDBC43974","373962","Present",NA,NA
+"43975","NSC374028",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC374028",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)CN6CCN(CC6)CCO","JVRWLYWKAJTQFS-UHFFFAOYSA-N",435681,NA,"PDBC43975","374028","Present",NA,NA
+"43976","NSC374998",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC374998",NA,"CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=NC=CC=N3","JLEOLHIYYWXFTJ-DEDYPNTBSA-N",9574395,NA,"PDBC43976","374998","Present",NA,NA
+"43977","NSC375161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC375161",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)C(=O)NN=CC5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C","GZDVTXZHQNWUEQ-VEOFBDBBSA-O",54601189,NA,"PDBC43977","375161","Present",NA,NA
+"43978","NSC3752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC3752",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=O)NC3=C2CCC3","FLXLKAGXWDEWAL-UHFFFAOYSA-N",220688,NA,"PDBC43978","3752","Present",NA,NA
+"43979","NSC375389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC375389",NA,"CN(C)CCNC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)O","LIXQKVJTQBUEPZ-UHFFFAOYSA-N",341818,NA,"PDBC43979","375389","Present",NA,NA
+"43980","NSC375504",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC375504",NA,"CC1C(C2=CC3=C(C=C2OC1(C)N4CCCC4)OCO3)C5=C(C(=CC=C5)OC)O","LDJUMRJNYFZQRI-UHFFFAOYSA-N",341833,NA,"PDBC43980","375504","Present",NA,NA
+"43981","NSC376354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC376354",NA,"CN(C)CCSC1=NC2=C(C=C(C=C2)Cl)C(=NC1)C3=CC=CC=C3Cl.C(=CC(=O)O)C(=O)O","GFGQMEZSKAQPQP-BTJKTKAUSA-N",5385035,NA,"PDBC43981","376354","Present",NA,NA
+"43982","NSC376597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC376597",NA,"CN1CCN(CC1)CN2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)CN6CCN(CC6)C.Cl","SEOQTWFWSQOBRS-UHFFFAOYSA-N",54611271,NA,"PDBC43982","376597","Present",NA,NA
+"43983","NSC378477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378477",NA,"C1=CC2C3C(C1C4C2C(=O)N(C4=O)COC(=O)CN)C5C3C(=O)N(C5=O)COC(=O)CN.Cl","LBKUKUCPMFHNNP-UHFFFAOYSA-N",54601190,NA,"PDBC43983","378477","Present",NA,NA
+"43984","NSC378735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378735",NA,"CC1C2CC=C3C2(COC1(C(CC(C)(C)O)O)O)C(=O)CC4C3CCC5C4(CC6=NC7=C(CC8(C(C7)CCC9C8CC(C1(C9=CC2C1(C(C1(O2)C(CC(O1)(C)CO)O)C)O)C)O)C)N=C6C5)C","XLBCKHQLKVRGAX-VZTJZOSUSA-N",6711247,NA,"PDBC43984","378735","Present",NA,NA
+"43985","NSC37876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37876",NA,"CN(C)CCCOC1=C2C(=C(C=C1)OCCCN(C)C)C(=O)C3=CC=CC=C3C2=O.Br","JRIAZSIHMQLVCF-UHFFFAOYSA-N",54599458,NA,"PDBC43985","37876","Present",NA,NA
+"43986","NSC378842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378842",NA,NA,NA,NA,NA,"PDBC43986","378842","Present",NA,NA
+"43987","NSC378843",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378843",NA,NA,NA,NA,NA,"PDBC43987","378843","Present",NA,NA
+"43988","NSC378876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378876",NA,"CC(C)(CN(C)C)C(=O)C=CC1=CC=CC=C1.Cl","OKJBLELSMHKFFK-ASTDGNLGSA-N",6366949,NA,"PDBC43988","378876","Present",NA,NA
+"43989","NSC37888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37888",NA,"CN(C)CCCOC1=CC=C(C=C1)NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)OCCCN(C)C)Cl.Cl","UTSWYDVSMNDGNN-UHFFFAOYSA-N",24185141,NA,"PDBC43989","37888","Present",NA,NA
+"43990","NSC37889",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37889",NA,"CN(C)CCCOC1=CC=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3OCCCN(C)C)Cl","WBUCDXDUHFALAO-UHFFFAOYSA-N",235958,NA,"PDBC43990","37889","Present",NA,NA
+"43991","NSC378895",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378895",NA,NA,NA,NA,NA,"PDBC43991","378895","Present",NA,NA
+"43992","NSC378896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC378896",NA,NA,NA,NA,NA,"PDBC43992","378896","Present",NA,NA
+"43993","NSC37895",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37895",NA,"CN(C)CCOC1=CC=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3OCCN(C)C)Cl","MLWBJUVGWZVXCF-UHFFFAOYSA-N",235960,NA,"PDBC43993","37895","Present",NA,NA
+"43994","NSC37896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37896",NA,"CC(CN(C)C)OC1=CC=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3OC(C)CN(C)C)Cl.Cl","USFAHBCJIKVFCT-UHFFFAOYSA-N",24185143,NA,"PDBC43994","37896","Present",NA,NA
+"43995","NSC37898",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37898",NA,"CN(C)CCOC1=CC=CC(=C1)NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)OCCN(C)C)Cl","BGGJJODVQUHRLH-UHFFFAOYSA-N",235961,NA,"PDBC43995","37898","Present",NA,NA
+"43996","NSC37900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37900",NA,"CN(C)CCCSC1=CC=CC=C1NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC=CC=C3SCCCN(C)C)Cl","APNBWCRIWGVOGO-UHFFFAOYSA-N",235963,NA,"PDBC43996","37900","Present",NA,NA
+"43997","NSC37901",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC37901",NA,"CN(C)CCCOC1=CC=CC(=C1)NC2=C(C(=O)C(=C(C2=O)Cl)NC3=CC(=CC=C3)OCCCN(C)C)Cl.Cl","YEWOICVUOOUZFG-UHFFFAOYSA-N",24185144,NA,"PDBC43997","37901","Present",NA,NA
+"43998","NSC379507",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC379507",NA,"CN(CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)CCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O.Cl","CJJLZHBWVSEZNG-UHFFFAOYSA-N",24200525,NA,"PDBC43998","379507","Present",NA,NA
+"43999","NSC379552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC379552",NA,"C1=CC=NC(=C1)NC=C(C#N)C(=O)C2=CC=CO2","OQXJVIYHJGTXCN-MDZDMXLPSA-N",2819118,NA,"PDBC43999","379552","Present",NA,NA
+"44000","NSC379553",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC379553",NA,"C1CC1C(=O)C(=CNC2=CC=CC=N2)C#N","GUJHVNHITJUTSX-CSKARUKUSA-N",2819119,NA,"PDBC44000","379553","Present",NA,NA
+"44001","NSC379877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC379877",NA,"C1CC1CN2CNC(=NC2)SCC3=CC(=CC4=C3OCOC4)Cl.Cl","BWGCNVRTSHZLEA-UHFFFAOYSA-N",2799438,NA,"PDBC44001","379877","Present",NA,NA
+"44002","NSC380482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC380482",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2N(C=CS2)C=C1C3=CC=C(C=C3)C=NNC4=NC(=NC=C4)NN=CC5=CC=C(C=C5)C6=CN7C=CSC7=[N+]6C","OWQVLDALODQCRR-LQDKXMSRSA-M",54604722,NA,"PDBC44002","380482","Present",NA,NA
+"44003","NSC381101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC381101",NA,"CC1C=CC=CC=CC(=O)NC2=C(C3=C(C(=C(C(=C3)C)O)C(=O)C(=CC(C(C(C=CC(CC=C(C(=O)CC1O)C)O)C)O)C)C)C(=O)C2=O)O","VMGZUMXAOXKLLT-QTUXANFPSA-N",54601697,NA,"PDBC44003","381101","Present",NA,NA
+"44004","NSC381102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC381102",NA,"CC1C=CC=CC=CC(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)C(=CC(C(C(C=CC(CC=C(C(=O)CC1O)C)O)C)O)C)C)O)C)SCC(C(=O)O)NC(=O)C","VEDOKYSBCNXSGP-XXMPAYMKSA-N",54602179,NA,"PDBC44004","381102","Present",NA,NA
+"44005","NSC38112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC38112",NA,"CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=C(C2=O)C=CC(=C3)Cl.Cl","DXODNHNJCAYZNP-UHFFFAOYSA-N",24185158,NA,"PDBC44005","38112","Present",NA,NA
+"44006","NSC38114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC38114",NA,"CC1=C2C(=C(C=C1)NCCN(C)CC(C)O)C(=O)C3=C(S2)C=C(C=C3)Cl.Cl","XFGAACLHEONUAK-UHFFFAOYSA-N",24185160,NA,"PDBC44006","38114","Present",NA,NA
+"44007","NSC382006",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC382006",NA,"CN(C)CC(=C)C(=O)C1=CC2=C(C=C1)OCO2.Cl","APNJOAQCZXSLDR-UHFFFAOYSA-N",13958701,NA,"PDBC44007","382006","Present",NA,NA
+"44008","NSC383468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC383468",NA,"CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)O","BOJKULTULYSRAS-ACAGNQJTSA-N",5351335,NA,"PDBC44008","383468","Present",NA,NA
+"44009","NSC38347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC38347",NA,"CN1CCN(CC1)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C.Cl","VPNGEOUVHXZQCM-UHFFFAOYSA-N",54609485,NA,"PDBC44009","38347","Present",NA,NA
+"44010","NSC38850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC38850",NA,"CN(C)CCCN1C=NC2=CC(=C(C=C21)Cl)Cl.Cl","WQYCSKKKXXBHTJ-UHFFFAOYSA-N",24185225,NA,"PDBC44010","38850","Present",NA,NA
+"44011","NSC38852",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC38852",NA,"CC1=NC2=C(N1CCCN(C)C)C(=CC=C2)[N+](=O)[O-].[Cl-]","YQAVMYKFLZBWPN-UHFFFAOYSA-M",24185226,NA,"PDBC44011","38852","Present",NA,NA
+"44012","NSC39215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC39215",NA,"CNCC(C1=CC(=C(C=C1)O)O)SC.Cl","JEEODWQNJMOSAF-UHFFFAOYSA-N",54605586,NA,"PDBC44012","39215","Present",NA,NA
+"44013","NSC39356",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC39356",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NCCCN(CCCNC3=C(C(=O)C4=CC=CC=C4C3=O)Cl)C5=C(C(=O)C6=CC=CC=C6C5=O)Cl","WPEZOOKOOQUGNC-UHFFFAOYSA-N",236659,NA,"PDBC44013","39356","Present",NA,NA
+"44014","NSC39621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC39621",NA,"C1=CC(=CC=C1SS(=O)(=O)C2=CC=C(C=C2)Cl)Cl","HKRKZYSYVNYGRL-UHFFFAOYSA-N",95850,NA,"PDBC44014","39621","Present",NA,NA
+"44015","NSC39779",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC39779",NA,"C1=CC(=CC=C1C(=CC(=O)C(=O)O)O)Br","IONNFJJWSQNFPW-YVMONPNESA-N",5351763,NA,"PDBC44015","39779","Present",NA,NA
+"44016","NSC400078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC400078",NA,NA,NA,NA,NA,"PDBC44016","400078","Present",NA,NA
+"44017","NSC400313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC400313",NA,"C1=CSC(=C1)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl","QCHFKTJHJVDSFF-XQRVVYSFSA-N",54611125,NA,"PDBC44017","400313","Present",NA,NA
+"44018","NSC403170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC403170",NA,NA,NA,NA,NA,"PDBC44018","403170","Present",NA,NA
+"44019","NSC40333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC40333",NA,"CCCCCCCCN(CCCCCCCC)CC(C1=CC(=NC2=C1C=C(C=C2)OC)C3=CC=CC=C3)O.Cl","SMOMRONRIQUODS-UHFFFAOYSA-N",53423347,NA,"PDBC44019","40333","Present",NA,NA
+"44020","NSC403822",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC403822",NA,"CC(=NO)C1=CC=CC=[N+]1CC2=CC=CC=C2.[Br-]","PFYWDZGHYNVUHZ-UHFFFAOYSA-N",135502436,NA,"PDBC44020","403822","Present",NA,NA
+"44021","NSC404141",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC404141",NA,"C1(C(C(=C(C(=O)C1(Cl)Cl)Cl)Cl)(Cl)Cl)Cl","RYTIMFVQZPTFSL-UHFFFAOYSA-N",243411,NA,"PDBC44021","404141","Present",NA,NA
+"44022","NSC405646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC405646",NA,NA,NA,NA,NA,"PDBC44022","405646","Present",NA,NA
+"44023","NSC405944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC405944",NA,"C1=CC=C(C=C1)NN=CC(=NNC2=CC=CC=C2)C(C(C(COC3C(C(C(C(O3)CO)O)O)O)O)O)O","WLANDTMKELMBJW-DMYHQRBDSA-N",9614326,NA,"PDBC44023","405944","Present",NA,NA
+"44024","NSC405955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC405955",NA,"C1=CC=C(C=C1)C(=O)OCC(C(C(C2=NN(N=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","BAKVUGKREKGLDW-UHFFFAOYSA-N",244850,NA,"PDBC44024","405955","Present",NA,NA
+"44025","NSC407008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC407008",NA,"CN(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)Cl","JGYFBXILBKWGBN-UHFFFAOYSA-N",239113,NA,"PDBC44025","407008","Present",NA,NA
+"44026","NSC407396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC407396",NA,NA,NA,NA,NA,"PDBC44026","407396","Present",NA,NA
+"44027","NSC408090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC408090",NA,"C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)O)O)O)NC(=NC2=S)N","BPZXYEUJBFHASJ-UHFFFAOYSA-N",4269332,NA,"PDBC44027","408090","Present",NA,NA
+"44028","NSC408169",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC408169",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC.[Co]","ZGLMEXMQWMFOJI-UHFFFAOYSA-N",54607967,NA,"PDBC44028","408169","Present",NA,NA
+"44029","NSC408400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC408400",NA,"CN(C)C1=C(C=C(C=C1)C=CC2=CC=NC3=CC=CC=C23)N","ZPIGNYBULUNTNI-VQHVLOKHSA-N",5953157,NA,"PDBC44029","408400","Present",NA,NA
+"44030","NSC409953",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC409953",NA,"CN(C)CCN(C1=CC=CC=N1)C2=CC=CC=N2.Cl","WWQJNMJLWZNVLS-UHFFFAOYSA-N",24201378,NA,"PDBC44030","409953","Present",NA,NA
+"44031","NSC41140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC41140",NA,"CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=C(C2=O)C=CC(=C3)Cl.Cl","DJJJZEDUUGTMFZ-UHFFFAOYSA-N",24185579,NA,"PDBC44031","41140","Present",NA,NA
+"44032","NSC41499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC41499",NA,"COC1=CC=C(C=C1)CC(CN2CCOCC2)O.Cl","AYSYERIDNFDWAY-UHFFFAOYSA-N",53422164,NA,"PDBC44032","41499","Present",NA,NA
+"44033","NSC42255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC42255",NA,"CN(C)C(=O)C1CCN(CC1)CC2=CNC3=CC=CC=C32.Cl","TXJVCDKCYRZPQC-UHFFFAOYSA-N",3030442,NA,"PDBC44033","42255","Present",NA,NA
+"44034","NSC42258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC42258",NA,"C1CN(CCN1CC2=CNC3=CC=CC=C32)CC4=CNC5=CC=CC=C54.Cl","PHCCXUXQDSVVRI-UHFFFAOYSA-N",54603442,NA,"PDBC44034","42258","Present",NA,NA
+"44035","NSC42371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC42371",NA,"C1=CC(=C(C=C1O)O)C=NNC2=NC=C(C=C2)[N+](=O)[O-]","VMBSMRLYXJOQEZ-NSIKDUERSA-N",135538373,NA,"PDBC44035","42371","Present",NA,NA
+"44036","NSC42856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC42856",NA,"COC1=CC=CC(=C1O)C=NNC2=NC=C(C=C2)[N+](=O)[O-]","XPQRYAAEEVHBLQ-CHHVJCJISA-N",135538375,NA,"PDBC44036","42856","Present",NA,NA
+"44037","NSC43176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC43176",NA,"CN(C)CCCSC1=NC2=CC=CC=C2N1.Cl","BRQARLKMRIAZOU-UHFFFAOYSA-N",54609154,NA,"PDBC44037","43176","Present",NA,NA
+"44038","NSC44181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC44181",NA,"CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl[Sb](Cl)Cl","FNEYKZLJRJNCTH-UHFFFAOYSA-K",54703986,NA,"PDBC44038","44181","Present",NA,NA
+"44039","NSC45741",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC45741",NA,"C1=CC=C2C(=C1)N=C(S2)C(C(C(C(C(=O)O)O)O)O)O.[Na+]","SYCHXWYJEUOGTJ-UHFFFAOYSA-N",54605399,NA,"PDBC44039","45741","Present",NA,NA
+"44040","NSC46080",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC46080",NA,"CN(CCC(=O)O)C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3.[Na+]","DKTAJGBZUYAEQZ-UHFFFAOYSA-N",54599787,NA,"PDBC44040","46080","Present",NA,NA
+"44041","NSC46691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC46691",NA,"C1=CC(=C(C=C1Cl)Cl)C=NN=C(C(=NN=CC2=C(C=C(C=C2)Cl)Cl)N)N","LHLILJDDFIBWMO-YLSUZJBISA-N",54609615,NA,"PDBC44041","46691","Present",NA,NA
+"44042","NSC4722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC4722",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC(=C3)CO)OCC(C(C(C=O)O)O)O","UYKVHRDZCLQKBM-UHFFFAOYSA-N",221037,NA,"PDBC44042","4722","Present",NA,NA
+"44043","NSC47326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC47326",NA,"CCC(CN(C)C)C(=O)C1=CC=CO1.Cl","LTWMSUNONQPKOH-UHFFFAOYSA-N",54609644,NA,"PDBC44043","47326","Present",NA,NA
+"44044","NSC47915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC47915",NA,"CC1=CC(=C(C(=C1)CN(C)CC2=C(C(=CC(=C2)Cl)Cl)O)O)C","ZYFVGABFAJUTDB-UHFFFAOYSA-N",240936,NA,"PDBC44044","47915","Present",NA,NA
+"44045","NSC47935",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC47935",NA,"CC(C)(C)C1=CC(=C(C(=C1)CN(C)C)O)CNC2CCCCC2.Cl","MGOSYWNMYFNHQD-UHFFFAOYSA-N",54609732,NA,"PDBC44045","47935","Present",NA,NA
+"44046","NSC47949",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC47949",NA,"C1CCC(CC1)N(CC2=C(C=CC3=CC=CC=C32)O)CC4=C(C=CC5=CC=CC=C54)O.Cl","QNGPZHKMLNQXSN-UHFFFAOYSA-N",54605403,NA,"PDBC44046","47949","Present",NA,NA
+"44047","NSC48235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48235",NA,"C1=CC=C(C(=C1)C=NNC(=O)NN=CC2=CC=CC=C2O)O","MRETZGWZOKFPDX-CZCYGEDCSA-N",135408529,NA,"PDBC44047","48235","Present",NA,NA
+"44048","NSC48444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48444",NA,"C1=C(C=C(C(=C1CC2=C(C(=CC(=C2)Cl)CCl)O)O)CC3=C(C(=CC(=C3)Cl)CCl)O)Cl","PGSQWZBMZFWBJU-UHFFFAOYSA-N",241218,NA,"PDBC44048","48444","Present",NA,NA
+"44049","NSC48521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48521",NA,"C1CN=C(N1)SCC(=O)O.Cl","IBXKMJZFVHYXRS-UHFFFAOYSA-N",54605425,NA,"PDBC44049","48521","Present",NA,NA
+"44050","NSC48630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC48630",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CCC4(C(=O)CCN(C)C)O)C)O.Cl","ITJYICNOKTXDAO-FGOHFILZSA-N",54611667,NA,"PDBC44050","48630","Present",NA,NA
+"44051","NSC49689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC49689",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C=CC=C3NC(=O)C=CC(=O)O","MTJNOPNRCBONSQ-CMDGGOBGSA-N",5356053,NA,"PDBC44051","49689","Present",NA,NA
+"44052","NSC50974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC50974",NA,NA,NA,NA,NA,"PDBC44052","50974","Present",NA,NA
+"44053","NSC51023",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC51023",NA,"C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)O","BGWUJSKRJRJTAR-UHFFFAOYSA-N",242416,NA,"PDBC44053","51023","Present",NA,NA
+"44054","NSC51357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC51357",NA,"C1CN=C(N1)SCCC(=O)O.Cl","PVMYWLRMWNDTSM-UHFFFAOYSA-N",54609807,NA,"PDBC44054","51357","Present",NA,NA
+"44055","NSC52389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC52389",NA,"C1CCN(CC1)CC2=C(NC(=O)NC2=O)C(=O)O.Cl","PMOHGEADWBPVNM-UHFFFAOYSA-N",54609893,NA,"PDBC44055","52389","Present",NA,NA
+"44056","NSC56544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC56544",NA,"C1=CC=C2C(=C1)C(=O)C(=CC3=CC=CS3)O2","ISQISRDFDBUCKK-XYOKQWHBSA-N",54609678,NA,"PDBC44056","56544","Present",NA,NA
+"44057","NSC56998",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC56998",NA,"CC1=CC(=NC(=N1)SC)NC2=CC(=C(C=C2)O)CN3CCOCC3.Cl","GWKZCIFQTBGPGJ-UHFFFAOYSA-N",54609708,NA,"PDBC44057","56998","Present",NA,NA
+"44058","NSC57715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC57715",NA,"C1=C(C=C(C(=C1C(C2=C(C(=CC(=C2)Cl)Br)O)C(Cl)(Cl)Cl)O)Br)Cl","FCWMYJCEDIULDO-UHFFFAOYSA-N",245607,NA,"PDBC44058","57715","Present",NA,NA
+"44059","NSC59276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC59276",NA,"CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)N5CC6=C(C=CC(=C6)OC)OC5","JVEDHWWWBFCUKI-SPEGKSIMSA-N",246334,NA,"PDBC44059","59276","Present",NA,NA
+"44060","NSC600019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC600019",NA,"C1=CC(=NC=C1NN=O)SC2=NC=C(C=C2)NN=O.[Na+]","DICDGRUMPFMJDQ-UHFFFAOYSA-N",54608016,NA,"PDBC44060","600019","Present",NA,NA
+"44061","NSC600220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC600220",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","RBNOJYDPFALIQZ-VXXAQSFKSA-N",6711254,NA,"PDBC44061","600220","Present",NA,NA
+"44062","NSC600223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC600223",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)CCC(=O)O)C)OC(=O)C.[Na+]","UWKKVCPFVCFRML-OKXCIUBDSA-N",54608020,NA,"PDBC44062","600223","Present",NA,NA
+"44063","NSC600267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC600267",NA,"C1=CC2C3C(C1C4C2C(=O)N(C4=O)COP(=O)(O)O)C5C3C(=O)N(C5=O)COP(=O)(O)O.[Na+]","KMYLYKRPWLNOGW-UHFFFAOYSA-N",54608831,NA,"PDBC44063","600267","Present",NA,NA
+"44064","NSC600300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC600300",NA,NA,NA,NA,NA,"PDBC44064","600300","Present",NA,NA
+"44065","NSC600301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC600301",NA,NA,NA,NA,NA,"PDBC44065","600301","Present",NA,NA
+"44066","NSC600881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC600881",NA,"CCOC(=O)C(=C(C)NC1=NC2=C(S1)C=CC3=CC=CC=C32)Cl","ORANXPAQAAJTLA-UVTDQMKNSA-N",5927129,NA,"PDBC44066","600881","Present",NA,NA
+"44067","NSC602077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC602077",NA,"C1CCC(CC1)N.C1=CC=C(C=C1)COC(=O)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CP(=O)(O)O","QLQOUZZUMLLLFR-UHFFFAOYSA-N",353538,NA,"PDBC44067","602077","Present",NA,NA
+"44068","NSC602341",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC602341",NA,"CC1C(C2=CC3=C(C=C2OC1(C)O)OCO3)C4=C(C(=CC=C4)OC)O","XVACPSXAAOKKMX-UHFFFAOYSA-N",146662,NA,"PDBC44068","602341","Present",NA,NA
+"44069","NSC602347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC602347",NA,NA,NA,NA,NA,"PDBC44069","602347","Present",NA,NA
+"44070","NSC602949",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC602949",NA,NA,NA,NA,NA,"PDBC44070","602949","Present",NA,NA
+"44071","NSC603084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC603084",NA,"C(C(=C(COC1C(=C(C(=O)O1)Cl)Cl)Br)Br)OC2C(=C(C(=O)O2)Cl)Cl","XYLUKYYLCTWKPE-ONEGZZNKSA-N",3005840,NA,"PDBC44071","603084","Present",NA,NA
+"44072","NSC603086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC603086",NA,"C(C(=C(COC1C(=C(C(=O)O1)Cl)Cl)Br)Br)OC2C(=C(C(=O)O2)Cl)Cl","XYLUKYYLCTWKPE-ARJAWSKDSA-N",21141102,NA,"PDBC44072","603086","Present",NA,NA
+"44073","NSC603169",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC603169",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C=CC=NNC(=O)C4=CC=C(C=C4)C(=O)NN=CC=CC5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C","RPKVXSPVISGXRF-FDJNRJMHSA-O",6326622,NA,"PDBC44073","603169","Present",NA,NA
+"44074","NSC603539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC603539",NA,NA,NA,NA,NA,"PDBC44074","603539","Present",NA,NA
+"44075","NSC604294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC604294",NA,"CCN(CC)CCN(C)CC(C)(C)C(=O)C=CC1=CC=CC=C1.Br","NPIWDNQSNBNJKI-IERUDJENSA-N",6514962,NA,"PDBC44075","604294","Present",NA,NA
+"44076","NSC604536",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC604536",NA,"CC(CS)C(=O)N1C(CC2=CC=CC=C21)C(=O)O","XYVFGQVIZOKXTN-KCJUWKMLSA-N",132919,NA,"PDBC44076","604536","Present",NA,NA
+"44077","NSC605608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC605608",NA,"C1=CC=C(C=C1)C2=CN=C(N2)CCN3C(=O)C4=CC=CC=C4C3=O.Cl","FUXBDQJNYDNWOJ-UHFFFAOYSA-N",354323,NA,"PDBC44077","605608","Present",NA,NA
+"44078","NSC606172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606172",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C(C=CC5=C4)C=O)O","AMDHQGZVCWWZCS-UHFFFAOYSA-N",184077,NA,"PDBC44078","606172","Present",NA,NA
+"44079","NSC606295",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606295",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1CN=C(N1)NNC2=CC=CC=C2","RBUPXUCLAXBZFH-UHFFFAOYSA-N",354407,NA,"PDBC44079","606295","Present",NA,NA
+"44080","NSC606499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606499",NA,"CCCCNCC(=O)OC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)CC.Cl","POYSNWNGOJKQBS-SNYZSRNZSA-N",11969639,NA,"PDBC44080","606499","Present",NA,NA
+"44081","NSC606534",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606534",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C=C2OC)[N+](=O)[O-])S(=O)(=O)O.[Na+]","PCDDMPBOIIIVPA-UHFFFAOYSA-N",54608724,NA,"PDBC44081","606534","Present",NA,NA
+"44082","NSC606536",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606536",NA,"COC1=C(C=C(C=C1)S(=O)(=O)O)N2N=C(N=[N+]2C3=C(C=CC(=C3)S(=O)(=O)[O-])OC)C(=O)NC4=CC=CC=C4.[Na+]","WLEJFOQSZUIVCS-UHFFFAOYSA-N",54600712,NA,"PDBC44082","606536","Present",NA,NA
+"44083","NSC606538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606538",NA,"CN(C)CCN(C)CCC(=O)C=CC1=CC=CC=C1.Cl","UIUCSYWTUCPQNJ-RRABGKBLSA-N",6515042,NA,"PDBC44083","606538","Present",NA,NA
+"44084","NSC607088",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC607088",NA,NA,NA,NA,NA,"PDBC44084","607088","Present",NA,NA
+"44085","NSC607281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC607281",NA,NA,NA,NA,NA,"PDBC44085","607281","Present",NA,NA
+"44086","NSC607633",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC607633",NA,"CN(C)C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)CO","CNRXXRJDMFDIEY-UHFFFAOYSA-N",354915,NA,"PDBC44086","607633","Present",NA,NA
+"44087","NSC607740",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC607740",NA,"C1=CC=C2C(=C1)C=CC3=C2NC(=C3)C=C[N+](=O)[O-]","MCLUSZHHINDIQS-BQYQJAHWSA-N",5927535,NA,"PDBC44087","607740","Present",NA,NA
+"44088","NSC607957",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC607957",NA,"CC1=CC(=CC(=C1O)CN(CC(=O)O)CC(=O)O)N=C2C=C(C(=O)C(=C2)Br)Br.[Na+]","CWYYETRODOOCRC-UHFFFAOYSA-N",54608794,NA,"PDBC44088","607957","Present",NA,NA
+"44089","NSC608465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC608465",NA,NA,NA,NA,NA,"PDBC44089","608465","Present",NA,NA
+"44090","NSC608623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC608623",NA,"CCCN1C(=C(N=C1SC)COC(=O)NC)COC(=O)NC.Cl","KAJUBBSBZCSJFM-UHFFFAOYSA-N",355281,NA,"PDBC44090","608623","Present",NA,NA
+"44091","NSC608624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC608624",NA,"CCCSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC.Cl","FQLJLLXWBOAETM-UHFFFAOYSA-N",355283,NA,"PDBC44091","608624","Present",NA,NA
+"44092","NSC608625",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC608625",NA,"CCCCCCN1C(=C(N=C1SC)COC(=O)NC)COC(=O)NC.Cl","NTQSKZLGSFCANV-UHFFFAOYSA-N",355285,NA,"PDBC44092","608625","Present",NA,NA
+"44093","NSC608626",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC608626",NA,"CCCCCCSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC.Cl","LZWBLRLFWPMOSM-UHFFFAOYSA-N",355287,NA,"PDBC44093","608626","Present",NA,NA
+"44094","NSC608970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC608970",NA,NA,NA,NA,NA,"PDBC44094","608970","Present",NA,NA
+"44095","NSC608971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC608971",NA,NA,NA,NA,NA,"PDBC44095","608971","Present",NA,NA
+"44096","NSC608975",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC608975",NA,NA,NA,NA,NA,"PDBC44096","608975","Present",NA,NA
+"44097","NSC608979",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC608979",NA,NA,NA,NA,NA,"PDBC44097","608979","Present",NA,NA
+"44098","NSC609075",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC609075",NA,"CS(=O)(=O)OCC1C(CC(O1)N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)OS(=O)(=O)C","HFBCERYJWAHIRX-UHFFFAOYSA-N",355457,NA,"PDBC44098","609075","Present",NA,NA
+"44099","NSC609077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC609077",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC4C(C(C(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)O)O","QYIWBMZXHWIGQY-UHFFFAOYSA-N",355459,NA,"PDBC44099","609077","Present",NA,NA
+"44100","NSC609965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC609965",NA,"CCN1CCC(C(C1)C(=O)C=CC2=CC=CC=C2)(C=CC3=CC=CC=C3)O.Cl","AFYHEZIYIWGBKO-CKUBSENYSA-N",5386429,NA,"PDBC44100","609965","Present",NA,NA
+"44101","NSC610898",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC610898",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CN2C=C1C=CC3=CC=C(C=C3)C=NNC(=O)C4=CC=C(C=C4)C(=O)NN=CC5=CC=C(C=C5)C=CC6=CN7C=CC=CC7=[N+]6C","NBAKVSRWXPWKMT-VKPFQMHQSA-O",54602220,NA,"PDBC44101","610898","Present",NA,NA
+"44102","NSC611400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC611400",NA,"COC1=CC2=C(CCC3C2OCCN3)C=C1.Cl","WICOLYXLUGQKHB-UHFFFAOYSA-N",356245,NA,"PDBC44102","611400","Present",NA,NA
+"44103","NSC612115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC612115",NA,"CCOC(=O)OC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)OC)NC(=O)C)OC)OC","YLBOJVNAUCVADO-UHFFFAOYSA-N",356433,NA,"PDBC44103","612115","Present",NA,NA
+"44104","NSC612116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC612116",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC(=O)C)OC(=O)C","JOXUTUJJDZMYKT-UHFFFAOYSA-N",356434,NA,"PDBC44104","612116","Present",NA,NA
+"44105","NSC613004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613004",NA,"CC(C)(C)[Si](C)(C)OCC1CCC(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4","VAIZBQSGURYFDL-UHFFFAOYSA-N",356581,NA,"PDBC44105","613004","Present",NA,NA
+"44106","NSC613239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613239",NA,"C(C1C(C(C(N1)CO)O)O)O.Cl","ASOISZHLRDHELT-MYWCFQFNSA-N",11969712,NA,"PDBC44106","613239","Present",NA,NA
+"44107","NSC613257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613257",NA,"C1=CC=C(C=C1)NC(=O)C2=NN([N+](=N2)C3=CC(=C(C=C3Cl)[N+](=O)[O-])S(=O)(=O)[O-])C4=CC(=C(C=C4Cl)[N+](=O)[O-])S(=O)(=O)O.[Na+]","SLFUPJGIDHSTLY-UHFFFAOYSA-N",54608037,NA,"PDBC44107","613257","Present",NA,NA
+"44108","NSC613258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613258",NA,"COC1=CC(=C(C=C1N2N=C(N=[N+]2C3=CC(=C(C=C3OC)[N+](=O)[O-])S(=O)(=O)[O-])C4=CC=CC=C4)S(=O)(=O)O)[N+](=O)[O-].[Na+]","ITBYFWLXDJCILX-UHFFFAOYSA-N",54604819,NA,"PDBC44108","613258","Present",NA,NA
+"44109","NSC613259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613259",NA,"COC1=CC(=C(C=C1[N+]2=NC(=NN2C3=CC(=C(C=C3)[N+](=O)[O-])S(=O)(=O)[O-])C(=O)NC4=CC=CC=C4)S(=O)(=O)O)[N+](=O)[O-].[Na+]","OVDIYQZDDZYZAR-UHFFFAOYSA-N",54602075,NA,"PDBC44109","613259","Present",NA,NA
+"44110","NSC613528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613528",NA,"CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CN(C3=CC=CC=C32)C=O)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N","BVUSRTSLMJGFEQ-VMQMXEQASA-N",6711286,NA,"PDBC44110","613528","Present",NA,NA
+"44111","NSC613529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613529",NA,"CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)N","XXFIWKDBCZWORZ-KNELAETQSA-N",6711287,NA,"PDBC44111","613529","Present",NA,NA
+"44112","NSC613666",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613666",NA,NA,NA,NA,NA,"PDBC44112","613666","Present",NA,NA
+"44113","NSC613668",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613668",NA,NA,NA,NA,NA,"PDBC44113","613668","Present",NA,NA
+"44114","NSC613669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613669",NA,NA,NA,NA,NA,"PDBC44114","613669","Present",NA,NA
+"44115","NSC613678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613678",NA,NA,NA,NA,NA,"PDBC44115","613678","Present",NA,NA
+"44116","NSC614339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC614339",NA,NA,NA,NA,NA,"PDBC44116","614339","Present",NA,NA
+"44117","NSC614496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC614496",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(CC4=CC5=C(C=C24)OCO5)COC3=O","RFDMNXDDRXVJTM-SDLZTHIVSA-N",356942,NA,"PDBC44117","614496","Present",NA,NA
+"44118","NSC614641",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC614641",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N","OLCWZBFDIYXLAA-UHFFFAOYSA-N",4798,NA,"PDBC44118","614641","Present",NA,NA
+"44119","NSC614643",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC614643",NA,"CCC(C1=CC=C(C=C1)Cl)(C(=O)OCC2=CC[N+]3(C2C(CC3)OC(=O)NCC)[O-])O","SEONMYOZACKEOS-HNWIOCRDSA-N",357033,NA,"PDBC44119","614643","Present",NA,NA
+"44120","NSC614644",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC614644",NA,"CCC(C1=CC=C(C=C1)Cl)(C(=O)OCC2=CC[N+]3(C2C(CC3)OC(=O)NC4=CC=CC=C4)[O-])O","CGYCEJGQMYDKDT-AYPIWINMSA-N",357034,NA,"PDBC44120","614644","Present",NA,NA
+"44121","NSC614936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC614936",NA,"C1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)O","KRWWFHKPTRHVMD-UHFFFAOYSA-N",357103,NA,"PDBC44121","614936","Present",NA,NA
+"44122","NSC614937",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC614937",NA,"C1C(C(OC1N2C=CC(=NC2=O)NC(=O)C3=CC=CC=C3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)I","OLTSJGCPXISYSI-UHFFFAOYSA-N",357104,NA,"PDBC44122","614937","Present",NA,NA
+"44123","NSC614997",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC614997",NA,"C1C2CC3C4C1C5CC(C4)C(C3C5C2)N=[N+]=[N-]","CVWSCSWWTNHQQQ-OFNAHGGTSA-N",6711293,NA,"PDBC44123","614997","Present",NA,NA
+"44124","NSC615008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC615008",NA,NA,NA,NA,NA,"PDBC44124","615008","Present",NA,NA
+"44125","NSC615537",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC615537",NA,NA,NA,NA,NA,"PDBC44125","615537","Present",NA,NA
+"44126","NSC615539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC615539",NA,NA,NA,NA,NA,"PDBC44126","615539","Present",NA,NA
+"44127","NSC616254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC616254",NA,"CC1=C[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]","GCHXTXANQXAXMS-UHFFFAOYSA-M",357424,NA,"PDBC44127","616254","Present",NA,NA
+"44128","NSC616255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC616255",NA,"CC1=C[P+](CC1)(CC2=CC=CC=C2)C3=CC=CC=C3.[I-]","BMIDKCKALVWUBC-UHFFFAOYSA-M",357426,NA,"PDBC44128","616255","Present",NA,NA
+"44129","NSC616267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC616267",NA,"CC1CC[P+](C1)(CC2=CC=CC=C2)C3=CC=CC=C3.[Br-]","RAPVLTXLHVNJRO-IFWFERPOSA-M",357438,NA,"PDBC44129","616267","Present",NA,NA
+"44130","NSC616950",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC616950",NA,"C1COCCN1C2=CC3=C(C=C2)N=C4NC(=O)CN4C3.Cl","QCBCWLWQINDFMD-UHFFFAOYSA-N",135455576,NA,"PDBC44130","616950","Present",NA,NA
+"44131","NSC616951",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC616951",NA,"CN(C)CCSC1=NC2=CC=CC=C2C(=C1)C3=CC=CC=C3.Cl","PHQDQTPMRIVVCQ-UHFFFAOYSA-N",357522,NA,"PDBC44131","616951","Present",NA,NA
+"44132","NSC617269",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617269",NA,"CC1=CC2(CCC1C(C2C(=O)OC)OCC3=CC=CC=C3)OC","ULJICKZWPMDBRR-UHFFFAOYSA-N",357747,NA,"PDBC44132","617269","Present",NA,NA
+"44133","NSC617362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617362",NA,"C[Si](C)(C)C(=CCCN1C(=O)CCC1=O)Br","YOAKEIQJACQIAU-UITAMQMPSA-N",5386725,NA,"PDBC44133","617362","Present",NA,NA
+"44134","NSC617367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617367",NA,"C[Si](C)(C)C(=CCCN1C(CCC1=O)O)Br","BNVUDOZPFQOEMF-UITAMQMPSA-N",5386728,NA,"PDBC44134","617367","Present",NA,NA
+"44135","NSC617394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617394",NA,"CC(=O)OCCC(C(C)(C)OCOCCOC)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C","FHDHCJJXYVBNNE-SANMLTNESA-N",357861,NA,"PDBC44135","617394","Present",NA,NA
+"44136","NSC617407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617407",NA,"CC1C2C(=C3SCCCS3)CCCN2C(=O)O1","RWGQNALFPBAKMF-PEHGTWAWSA-N",6711309,NA,"PDBC44136","617407","Present",NA,NA
+"44137","NSC617408",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617408",NA,"CC1C(=O)N(C(=O)O1)CCCC=C2SCCCS2","IDUAPOIXAPYQRC-UHFFFAOYSA-N",357874,NA,"PDBC44137","617408","Present",NA,NA
+"44138","NSC617422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617422",NA,"CCCCC(C#C)OC(=O)NC(C)C1=CC=CC=C1","MDBQWBJLGLIFOH-HIFRSBDPSA-N",6711310,NA,"PDBC44138","617422","Present",NA,NA
+"44139","NSC617423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617423",NA,"CCCCC(C#C)OC(=O)NC(C)C1=CC=CC=C1","MDBQWBJLGLIFOH-UKRRQHHQSA-N",6711311,NA,"PDBC44139","617423","Present",NA,NA
+"44140","NSC617541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617541",NA,"CCCCCCC=CCCCCCCCCC(=O)C1=C(C(=CC=C1)OC)OC","WKMIZTKNDGODPV-KTKRTIGZSA-N",5386744,NA,"PDBC44140","617541","Present",NA,NA
+"44141","NSC617562",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617562",NA,NA,NA,NA,NA,"PDBC44141","617562","Present",NA,NA
+"44142","NSC617563",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617563",NA,NA,NA,NA,NA,"PDBC44142","617563","Present",NA,NA
+"44143","NSC617569",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617569",NA,NA,NA,NA,NA,"PDBC44143","617569","Present",NA,NA
+"44144","NSC617571",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617571",NA,NA,NA,NA,NA,"PDBC44144","617571","Present",NA,NA
+"44145","NSC617572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617572",NA,NA,NA,NA,NA,"PDBC44145","617572","Present",NA,NA
+"44146","NSC617600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617600",NA,"COC(=O)C1=CC(C(CC1SC2=CC=CC=C2)C(=O)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","HFQYUNDUMPKYGX-HEIUKZKOSA-N",357932,NA,"PDBC44146","617600","Present",NA,NA
+"44147","NSC617643",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617643",NA,"COC(C1=CC2=C(C=C1C(=O)C34CCCC3NC(=O)O4)OCO2)OC","LLZYNNDGOUMXJY-SUMWQHHRSA-N",6711317,NA,"PDBC44147","617643","Present",NA,NA
+"44148","NSC617669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617669",NA,"CCOC(=O)C(C)(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)N=C(N=C3NC(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5","UFOWYYXCWHKPMB-UHFFFAOYSA-N",357990,NA,"PDBC44148","617669","Present",NA,NA
+"44149","NSC617841",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617841",NA,NA,NA,NA,NA,"PDBC44149","617841","Present",NA,NA
+"44150","NSC617998",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617998",NA,"C1=C(N=C(S1)C2C(C(C(O2)COP(=O)(CP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)O)C(=O)N","CRWWKLKZKYLFQV-UHFFFAOYSA-N",356935,NA,"PDBC44150","617998","Present",NA,NA
+"44151","NSC618101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC618101",NA,"COC1=C(C=CC(=C1)C2C3C(C(OC3=O)C4=CC(=C(C=C4)O)OC)C(=O)O2)O","DNJFYRXUTBVKIJ-FOIPXRHGSA-N",358210,NA,"PDBC44151","618101","Present",NA,NA
+"44152","NSC618142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC618142",NA,NA,NA,NA,NA,"PDBC44152","618142","Present",NA,NA
+"44153","NSC618143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC618143",NA,NA,NA,NA,NA,"PDBC44153","618143","Present",NA,NA
+"44154","NSC618823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC618823",NA,NA,NA,NA,NA,"PDBC44154","618823","Present",NA,NA
+"44155","NSC618824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC618824",NA,NA,NA,NA,NA,"PDBC44155","618824","Present",NA,NA
+"44156","NSC618825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC618825",NA,NA,NA,NA,NA,"PDBC44156","618825","Present",NA,NA
+"44157","NSC618826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC618826",NA,NA,NA,NA,NA,"PDBC44157","618826","Present",NA,NA
+"44158","NSC61900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC61900",NA,"C1=CC=C(C=C1)C2(C3=C(C4=C(C=CC(=C4)F)C=C3)C(=O)O2)C5=CC=CC=C5","PSZLGKPDSWMVQI-UHFFFAOYSA-N",247416,NA,"PDBC44158","61900","Present",NA,NA
+"44159","NSC619058",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619058",NA,NA,NA,NA,NA,"PDBC44159","619058","Present",NA,NA
+"44160","NSC619173",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619173",NA,"CC(C)(C)OC(=O)N1C2CCCC23C(=O)C4=CC5=C(C=C4C1O3)OCO5","ZWQNJNZGIAJSHJ-NLGTXKQRSA-N",6711328,NA,"PDBC44160","619173","Present",NA,NA
+"44161","NSC619184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619184",NA,NA,NA,NA,NA,"PDBC44161","619184","Present",NA,NA
+"44162","NSC619187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619187",NA,NA,NA,NA,NA,"PDBC44162","619187","Present",NA,NA
+"44163","NSC619188",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619188",NA,NA,NA,NA,NA,"PDBC44163","619188","Present",NA,NA
+"44164","NSC619215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619215",NA,"COC1=C(C=C(C=C1)C2C(C(=CC3=CC(=C(C=C23)OC)OC)C(=O)OC)C(=O)OC)OC","GACCWDXUFWMHRD-HMTLIYDFSA-N",359003,NA,"PDBC44164","619215","Present",NA,NA
+"44165","NSC619296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619296",NA,NA,NA,NA,NA,"PDBC44165","619296","Present",NA,NA
+"44166","NSC619298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619298",NA,NA,NA,NA,NA,"PDBC44166","619298","Present",NA,NA
+"44167","NSC619299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619299",NA,NA,NA,NA,NA,"PDBC44167","619299","Present",NA,NA
+"44168","NSC619300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619300",NA,NA,NA,NA,NA,"PDBC44168","619300","Present",NA,NA
+"44169","NSC619301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619301",NA,NA,NA,NA,NA,"PDBC44169","619301","Present",NA,NA
+"44170","NSC619308",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619308",NA,NA,NA,NA,NA,"PDBC44170","619308","Present",NA,NA
+"44171","NSC619309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619309",NA,NA,NA,NA,NA,"PDBC44171","619309","Present",NA,NA
+"44172","NSC619310",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619310",NA,NA,NA,NA,NA,"PDBC44172","619310","Present",NA,NA
+"44173","NSC619311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619311",NA,NA,NA,NA,NA,"PDBC44173","619311","Present",NA,NA
+"44174","NSC619321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619321",NA,NA,NA,NA,NA,"PDBC44174","619321","Present",NA,NA
+"44175","NSC619322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619322",NA,NA,NA,NA,NA,"PDBC44175","619322","Present",NA,NA
+"44176","NSC619323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619323",NA,NA,NA,NA,NA,"PDBC44176","619323","Present",NA,NA
+"44177","NSC619324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619324",NA,NA,NA,NA,NA,"PDBC44177","619324","Present",NA,NA
+"44178","NSC619377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619377",NA,"[Li+].C[N+](C)(C)CCOP(=O)(O)OP(=O)([O-])OCC1CCC(O1)N2C=CC(=NC2=O)N","RAHXCUNKMKXIFH-UHFFFAOYSA-N",54608050,NA,"PDBC44178","619377","Present",NA,NA
+"44179","NSC619390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619390",NA,"C1C(=CC2=CC(=CC=C2)O)C(=O)C3=CC=CC=C3O1","RNUZWDUHDRSFIM-XYOKQWHBSA-N",5386998,NA,"PDBC44179","619390","Present",NA,NA
+"44180","NSC619443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619443",NA,NA,NA,NA,NA,"PDBC44180","619443","Present",NA,NA
+"44181","NSC619690",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC619690",NA,"COC1=CC(=C(C=C1)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)O)OC.COC1=CC(=C(C=C1)C2C(C(OC3=CC4=C(C=C23)OCO4)(CO)O)C(=O)O)OC","MSLONMNIYNPHKB-DRXWHKFFSA-N",6711333,NA,"PDBC44181","619690","Present",NA,NA
+"44182","NSC620108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620108",NA,"C1=CC=C(C=C1)C2=NNC(=O)C2=[N+]=[N-]","VFABPXVWPLQVJX-UHFFFAOYSA-N",135455632,NA,"PDBC44182","620108","Present",NA,NA
+"44183","NSC620300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620300",NA,"C1=CC(=CC=C1S(=O)(=O)NN=CC2=C(C(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])O)Cl","JKIYDWZHCWQBOP-CHHVJCJISA-N",135455637,NA,"PDBC44183","620300","Present",NA,NA
+"44184","NSC620301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620301",NA,"C1=CC(=C(C(=C1)[N+](=O)[O-])O)C=NNS(=O)(=O)C2=CC=C(C=C2)Cl","VBVMOMGAPOAISS-NVNXTCNLSA-N",135455638,NA,"PDBC44184","620301","Present",NA,NA
+"44185","NSC620302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620302",NA,"COC1=C(C(=C(C=C1)S(=O)(=O)NN=CC2=C(C(=CC(=C2)[N+](=O)[O-])I)O)OC)OC","TTZBSGVMEPMXJY-LSCVHKIXSA-N",135455639,NA,"PDBC44185","620302","Present",NA,NA
+"44186","NSC620377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620377",NA,NA,NA,NA,NA,"PDBC44186","620377","Present",NA,NA
+"44187","NSC620378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620378",NA,NA,NA,NA,NA,"PDBC44187","620378","Present",NA,NA
+"44188","NSC620379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620379",NA,NA,NA,NA,NA,"PDBC44188","620379","Present",NA,NA
+"44189","NSC620380",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620380",NA,NA,NA,NA,NA,"PDBC44189","620380","Present",NA,NA
+"44190","NSC620381",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620381",NA,NA,NA,NA,NA,"PDBC44190","620381","Present",NA,NA
+"44191","NSC620382",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620382",NA,NA,NA,NA,NA,"PDBC44191","620382","Present",NA,NA
+"44192","NSC620478",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620478",NA,"CN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)NCCN)[N+](=O)[O-].Cl","VBSDMMSNYXPGIB-UHFFFAOYSA-N",359496,NA,"PDBC44192","620478","Present",NA,NA
+"44193","NSC620482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620482",NA,"CC12CCC(CC1CCC3C2CCC4(C3CCC(=O)N4)C)OC(=O)CC5=CC=C(C=C5)N(CCCl)CCCl","JMZJBCNHUJOLER-VNCUCJBFSA-N",359501,NA,"PDBC44193","620482","Present",NA,NA
+"44194","NSC621109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621109",NA,"CC(=NNC(=O)CC(=O)NC1=CC=C(C=C1)OC)C2=CC3=CC=CC=C3OC2=O","ZSWUIGQZLKHTIT-YDZHTSKRSA-N",9569828,NA,"PDBC44194","621109","Present",NA,NA
+"44195","NSC621187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621187",NA,"C1=CC(=C(C=C1Cl)Cl)C2C(=O)C(=C(C#N)C3=C(C=C(C=C3)Cl)Cl)OC2=N","GNVSTEHBPDMGME-VAUATAMWSA-N",5387153,NA,"PDBC44195","621187","Present",NA,NA
+"44196","NSC621321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621321",NA,NA,NA,NA,NA,"PDBC44196","621321","Present",NA,NA
+"44197","NSC621322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621322",NA,NA,NA,NA,NA,"PDBC44197","621322","Present",NA,NA
+"44198","NSC621323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621323",NA,NA,NA,NA,NA,"PDBC44198","621323","Present",NA,NA
+"44199","NSC621324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621324",NA,NA,NA,NA,NA,"PDBC44199","621324","Present",NA,NA
+"44200","NSC621325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621325",NA,NA,NA,NA,NA,"PDBC44200","621325","Present",NA,NA
+"44201","NSC621326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621326",NA,NA,NA,NA,NA,"PDBC44201","621326","Present",NA,NA
+"44202","NSC621329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621329",NA,NA,NA,NA,NA,"PDBC44202","621329","Present",NA,NA
+"44203","NSC621331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621331",NA,NA,NA,NA,NA,"PDBC44203","621331","Present",NA,NA
+"44204","NSC621332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621332",NA,NA,NA,NA,NA,"PDBC44204","621332","Present",NA,NA
+"44205","NSC621334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621334",NA,NA,NA,NA,NA,"PDBC44205","621334","Present",NA,NA
+"44206","NSC621335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621335",NA,NA,NA,NA,NA,"PDBC44206","621335","Present",NA,NA
+"44207","NSC621336",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621336",NA,NA,NA,NA,NA,"PDBC44207","621336","Present",NA,NA
+"44208","NSC621337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621337",NA,NA,NA,NA,NA,"PDBC44208","621337","Present",NA,NA
+"44209","NSC621339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621339",NA,NA,NA,NA,NA,"PDBC44209","621339","Present",NA,NA
+"44210","NSC621392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621392",NA,"C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)CC3=CC=CC=C3)O)O","UBXPBIRQRWKPMB-ABHNRTSZSA-N",359825,NA,"PDBC44210","621392","Present",NA,NA
+"44211","NSC621393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621393",NA,"CC1CC(C(C(C1)C(CC2CC(=O)N(C(=O)C2)CC3=CC=CC=C3)O)O)C","QGEQAZFXCIABEB-HAZVCWPCSA-N",359826,NA,"PDBC44211","621393","Present",NA,NA
+"44212","NSC621808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC621808",NA,NA,NA,NA,NA,"PDBC44212","621808","Present",NA,NA
+"44213","NSC622079",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622079",NA,"CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)NC(=O)C(C2)N3C)C(=C1OC)OC)OC","AIYZHTPXACEKKY-YVLHZVERSA-N",5387237,NA,"PDBC44213","622079","Present",NA,NA
+"44214","NSC622081",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622081",NA,"CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3C(=O)OC)CC5=CC=CC=C5)C(=C1OC)OC)OC","XXJWHFSPDNBONF-WTEZCBSFSA-N",6330791,NA,"PDBC44214","622081","Present",NA,NA
+"44215","NSC622096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622096",NA,"COC1=C(C(=C2C(C(C(=C(C2=C1)O)C(=O)OC)C(=O)OC)C3=CC4=C(C=C3)OCO4)OC)OC","XUDUCPVWELPHLK-DAFXYXGESA-N",54676224,NA,"PDBC44215","622096","Present",NA,NA
+"44216","NSC622100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622100",NA,"CC1=NC(=C(C=C1)O)N=NC2=CC=C(C=C2)S(=O)(=O)O.[Na+]","YIFDNXJWOMKYRL-UHFFFAOYSA-N",135510057,NA,"PDBC44216","622100","Present",NA,NA
+"44217","NSC622104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622104",NA,NA,NA,NA,NA,"PDBC44217","622104","Present",NA,NA
+"44218","NSC622106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622106",NA,NA,NA,NA,NA,"PDBC44218","622106","Present",NA,NA
+"44219","NSC622109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622109",NA,NA,NA,NA,NA,"PDBC44219","622109","Present",NA,NA
+"44220","NSC622113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622113",NA,NA,NA,NA,NA,"PDBC44220","622113","Present",NA,NA
+"44221","NSC622114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622114",NA,NA,NA,NA,NA,"PDBC44221","622114","Present",NA,NA
+"44222","NSC622115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622115",NA,NA,NA,NA,NA,"PDBC44222","622115","Present",NA,NA
+"44223","NSC622117",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622117",NA,NA,NA,NA,NA,"PDBC44223","622117","Present",NA,NA
+"44224","NSC622119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622119",NA,NA,NA,NA,NA,"PDBC44224","622119","Present",NA,NA
+"44225","NSC622120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622120",NA,NA,NA,NA,NA,"PDBC44225","622120","Present",NA,NA
+"44226","NSC622125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622125",NA,NA,NA,NA,NA,"PDBC44226","622125","Present",NA,NA
+"44227","NSC622297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622297",NA,"CN(C)CCSC1=NC=CC(=N1)C2=CC=C(S2)C3=NC(=NC=C3)SCCN(C)C.Br","FWHAULPIQKYXOD-UHFFFAOYSA-N",360272,NA,"PDBC44227","622297","Present",NA,NA
+"44228","NSC622379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622379",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=C(C(=O)O)Cl)Cl","HDNSTGGEYNJTTN-HJWRWDBZSA-N",54607984,NA,"PDBC44228","622379","Present",NA,NA
+"44229","NSC622380",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622380",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=C(C(=O)O)Cl)Cl","PIHSZWBVWSOXAC-HJWRWDBZSA-N",15592486,NA,"PDBC44229","622380","Present",NA,NA
+"44230","NSC622381",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622381",NA,"C1=CC(=CC(=C1)Cl)NC(=O)C(=C(C(=O)O)Cl)Cl","PRJKMPRAFRAFTD-FPLPWBNLSA-N",54608833,NA,"PDBC44230","622381","Present",NA,NA
+"44231","NSC622390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622390",NA,"CCCC(=O)C(CC)C(=NNC(=O)C[N+](C)(C)C)CCC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2.[Cl-]","HYSJTRUIVZBDCG-OVXWMHFQSA-N",5479881,NA,"PDBC44231","622390","Present",NA,NA
+"44232","NSC622391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622391",NA,"C1=CC=C2C(=C1)C=CC(=C2C(=O)NN=C(CCCC(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(C#N)C4=NC5=CC=CC=C5S4)O","RHUVOUDVROSABB-BGDIREAQSA-N",5464901,NA,"PDBC44232","622391","Present",NA,NA
+"44233","NSC622395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622395",NA,"CCC(=NNC(=O)C(=O)N)CC(=O)CCC(=O)NC1=CC(=C(C=C1)C)C","ICSGRZSNPMMJEL-FYJGNVAPSA-N",5464902,NA,"PDBC44233","622395","Present",NA,NA
+"44234","NSC622439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622439",NA,"COC1=CC=C(C=C1)NC(=O)CCC(=NNC(=S)N)CC(=O)C2=CC=CO2","VPCDQTRJZWDPPF-BKUYFWCQSA-N",5464905,NA,"PDBC44234","622439","Present",NA,NA
+"44235","NSC622443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622443",NA,"C[N+](C)(C)CC(=O)NN=C(CCC(=O)NCCC1=CC=CC=C1)CC(=O)C2=CC=CC=C2.[Cl-]","FCTNMFJNRVCJAJ-NYUAYZFWSA-N",9555781,NA,"PDBC44235","622443","Present",NA,NA
+"44236","NSC622468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622468",NA,"CC(C)N1CCOC(C1)C2=CC(=C(C=C2)O)O.Cl","GZYSFHADEFPLMC-UHFFFAOYSA-N",360399,NA,"PDBC44236","622468","Present",NA,NA
+"44237","NSC622480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622480",NA,"CCCCCCCCCCCC(=NO)C1=C2C=CC=NC2=C(C=C1)O","HGVLSCJIZJAIFB-NMWGTECJSA-N",135510059,NA,"PDBC44237","622480","Present",NA,NA
+"44238","NSC622599",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622599",NA,"CN(C)C1=NC(=NC2=CC3=CC=CC=C3C=C2)SS1.Cl","YXDGEUCTXPQFOI-UHFFFAOYSA-N",360466,NA,"PDBC44238","622599","Present",NA,NA
+"44239","NSC622607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622607",NA,"CN(C1=CC=CC=C1)C2=NC(=[N+]3CCCC3)SS2.[O-]Cl(=O)(=O)=O","LMEKHKROYCGTAR-UHFFFAOYSA-M",24202072,NA,"PDBC44239","622607","Present",NA,NA
+"44240","NSC622642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622642",NA,"CN=C1N(C(=NC(=NC)N(C)C)SS1)C.OCl(=O)(=O)=O","HFEHPORSWGCJRW-XKAKQRFMSA-N",6474389,NA,"PDBC44240","622642","Present",NA,NA
+"44241","NSC622643",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622643",NA,"CNC(=NC)N(C)C1=NC(=[N+](C)C)SS1.[O-]Cl(=O)(=O)=O","RIONXYZPUQEACO-UHFFFAOYSA-M",24202074,NA,"PDBC44241","622643","Present",NA,NA
+"44242","NSC622645",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622645",NA,"CN=C(N(C)C1=NC(=[N+](C)C)SS1)SC.[O-]Cl(=O)(=O)=O","RDTWCNQJBCXJAE-UHFFFAOYSA-M",24202075,NA,"PDBC44242","622645","Present",NA,NA
+"44243","NSC622646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622646",NA,"CN=C1[N+](=C(SS1)N=C(N(C)C)SC)C.[O-]Cl(=O)(=O)=O","YEPAQNJZWNWKER-UHFFFAOYSA-M",135439980,NA,"PDBC44243","622646","Present",NA,NA
+"44244","NSC622648",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622648",NA,"CCSC1=NC(=[N+]2CCCC2)SS1.[O-]Cl(=O)(=O)=O","CNTZGUFLSGHOQV-UHFFFAOYSA-M",24202077,NA,"PDBC44244","622648","Present",NA,NA
+"44245","NSC622665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622665",NA,"C1C(OC(C1N=[N+]=[N-])N2C=NC3=C(N=CN=C32)N)CO","JVPFDOXMGPHRJG-UHFFFAOYSA-N",360530,NA,"PDBC44245","622665","Present",NA,NA
+"44246","NSC622672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622672",NA,"CN(CC1=CC=CC=C1)C2=NC(=[N+](C)C)SS2.[Cl-]","VRTAOGAZVACJSL-UHFFFAOYSA-M",360539,NA,"PDBC44246","622672","Present",NA,NA
+"44247","NSC622677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622677",NA,"C1COCCN1C2=NC(=NC3=CC=CC=C3)SS2.OCl(=O)(=O)=O","KRWOAAOUYOGKCN-UHFFFAOYSA-N",21144948,NA,"PDBC44247","622677","Present",NA,NA
+"44248","NSC622678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622678",NA,"C1COCCN1C2=CC(=[N+]3CCOCC3)SS2.[N+](=O)([O-])[O-]","IDHMNJQYOYWXOY-UHFFFAOYSA-N",24202078,NA,"PDBC44248","622678","Present",NA,NA
+"44249","NSC622685",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622685",NA,"CN(C)C1=NC(=NC2=CC3=C(C=C2)OCO3)SS1.Br","ATSXWUNZJHFZRR-UHFFFAOYSA-N",360554,NA,"PDBC44249","622685","Present",NA,NA
+"44250","NSC622689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622689",NA,"CN(C)C1=NC(=NC2=CC(=CC=C2)Cl)SS1.Br","GYHPIJXFPKXVPT-UHFFFAOYSA-N",360560,NA,"PDBC44250","622689","Present",NA,NA
+"44251","NSC622690",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622690",NA,"CC1=CC(=C2N=C(SS2)N(C)C)C(=N1)C.OCl(=O)(=O)=O","UTDYDUXYVLEXEC-HRNDJLQDSA-N",24202079,NA,"PDBC44251","622690","Present",NA,NA
+"44252","NSC622692",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622692",NA,"CN1C(=NC(=S)N(C)C)N(SC1=NC(=S)N(C)C)C","XQFOEAJTMXMOMM-QVOAAWBYSA-N",5913165,NA,"PDBC44252","622692","Present",NA,NA
+"44253","NSC622758",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622758",NA,"CC(=NC1=C(N=C(N(C1=O)C)OC)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","KIZDWDRRDWOXCD-UHFFFAOYSA-N",360583,NA,"PDBC44253","622758","Present",NA,NA
+"44254","NSC622760",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622760",NA,"CC(=NC1=C(N=C(NC1=O)SC)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","UDNQFLXWXYNSSF-UHFFFAOYSA-N",135429974,NA,"PDBC44254","622760","Present",NA,NA
+"44255","NSC622762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622762",NA,"CC(=NC1=C(N=C(N(C1=O)C)SC)NC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","SRZIGGDTXYROBB-UHFFFAOYSA-N",360587,NA,"PDBC44255","622762","Present",NA,NA
+"44256","NSC622764",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622764",NA,"CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)NC(=N2)OC)N=CC=NC3=C(N=C(NC3=O)OC)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","ULJFVAQOQWQZRB-UHFFFAOYSA-N",135429975,NA,"PDBC44256","622764","Present",NA,NA
+"44257","NSC622765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622765",NA,"CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=N2)OC)C)N=CC=NC3=C(N=C(N(C3=O)C)OC)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","VHDYOFMDIMZALU-UHFFFAOYSA-N",360590,NA,"PDBC44257","622765","Present",NA,NA
+"44258","NSC622767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622767",NA,"CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)NC(=N2)SC)N=CC=NC3=C(N=C(NC3=O)SC)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","UIHVYUCMCYYTLC-UHFFFAOYSA-N",135429976,NA,"PDBC44258","622767","Present",NA,NA
+"44259","NSC623050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623050",NA,"C1=CC=C2C(=C1)N=C(O2)C3C(=NC4=CC=CC5=C4C(=O)NNC5=O)C(=O)N(C(=O)C3=O)C6=CC=C(C=C6)Cl","HUQMAAHBZYHQEZ-UHFFFAOYSA-N",360714,NA,"PDBC44259","623050","Present",NA,NA
+"44260","NSC623228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623228",NA,"CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=CC(=C(C=C2)Cl)Cl","MGQVHXXQYZRYGV-LICLKQGHSA-N",5464910,NA,"PDBC44260","623228","Present",NA,NA
+"44261","NSC623274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623274",NA,NA,NA,NA,NA,"PDBC44261","623274","Present",NA,NA
+"44262","NSC623275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623275",NA,NA,NA,NA,NA,"PDBC44262","623275","Present",NA,NA
+"44263","NSC623276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623276",NA,NA,NA,NA,NA,"PDBC44263","623276","Present",NA,NA
+"44264","NSC623277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623277",NA,NA,NA,NA,NA,"PDBC44264","623277","Present",NA,NA
+"44265","NSC623278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623278",NA,NA,NA,NA,NA,"PDBC44265","623278","Present",NA,NA
+"44266","NSC623279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623279",NA,NA,NA,NA,NA,"PDBC44266","623279","Present",NA,NA
+"44267","NSC623280",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623280",NA,NA,NA,NA,NA,"PDBC44267","623280","Present",NA,NA
+"44268","NSC623281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623281",NA,NA,NA,NA,NA,"PDBC44268","623281","Present",NA,NA
+"44269","NSC623282",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623282",NA,NA,NA,NA,NA,"PDBC44269","623282","Present",NA,NA
+"44270","NSC623283",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623283",NA,NA,NA,NA,NA,"PDBC44270","623283","Present",NA,NA
+"44271","NSC623314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623314",NA,NA,NA,NA,NA,"PDBC44271","623314","Present",NA,NA
+"44272","NSC623315",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623315",NA,NA,NA,NA,NA,"PDBC44272","623315","Present",NA,NA
+"44273","NSC623316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623316",NA,NA,NA,NA,NA,"PDBC44273","623316","Present",NA,NA
+"44274","NSC623317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623317",NA,NA,NA,NA,NA,"PDBC44274","623317","Present",NA,NA
+"44275","NSC623318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623318",NA,NA,NA,NA,NA,"PDBC44275","623318","Present",NA,NA
+"44276","NSC623319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623319",NA,NA,NA,NA,NA,"PDBC44276","623319","Present",NA,NA
+"44277","NSC623320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623320",NA,NA,NA,NA,NA,"PDBC44277","623320","Present",NA,NA
+"44278","NSC623321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623321",NA,NA,NA,NA,NA,"PDBC44278","623321","Present",NA,NA
+"44279","NSC623622",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623622",NA,"CNC(=S)NN=C1CC(OC2=CC=CC=C12)C3=CC=CC=C3","DFCSYAVULDGMRQ-XMHGGMMESA-N",5464915,NA,"PDBC44279","623622","Present",NA,NA
+"44280","NSC623623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623623",NA,"CC(=O)OCC1C(C(C(C(O1)NC(=S)NN=C2CC(OC3=CC=CC=C23)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","SKZCKWJZQGAIOP-WEMUVCOSSA-N",5464916,NA,"PDBC44280","623623","Present",NA,NA
+"44281","NSC623660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623660",NA,"COC1C(C(C2C3C(CC=C2O1)C(=O)NC3=O)OCC4=CC=CC=C4)OCC5=CC=CC=C5","CWAWZNHFJPDBBH-DILDLNRMSA-N",360946,NA,"PDBC44281","623660","Present",NA,NA
+"44282","NSC623730",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623730",NA,"CCOC1=CC=CC=C1N2C(=O)C(=NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4O3","ZLOAMEJSBQWINK-XQNSMLJCSA-N",5464917,NA,"PDBC44282","623730","Present",NA,NA
+"44283","NSC623731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623731",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=O)CC#N)C(=O)N(C(=O)C3=O)C4=C(C=CC(=C4)Cl)Cl","ANNQCDWSZQAHJE-WPWMEQJKSA-N",5479883,NA,"PDBC44283","623731","Present",NA,NA
+"44284","NSC623735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623735",NA,"CC1=C(C(=CC=C1)C)N2C(=O)C(=NN)C(C(=O)C2=O)C3=NC4=CC=CC=C4S3","ZAQWKRIDRLFICA-HZHRSRAPSA-N",5464918,NA,"PDBC44284","623735","Present",NA,NA
+"44285","NSC623755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623755",NA,"C1=CC=C(C(=C1)C(=O)NN=C2C(C(=O)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl)C4=NC5=CC=CC=C5O4)O","STKDZBKKTJLTOL-ZTKZIYFRSA-N",5479884,NA,"PDBC44285","623755","Present",NA,NA
+"44286","NSC623762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623762",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=O)CC#N)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl","DCQHHUKCWYFYNU-YZSQISJMSA-N",5479885,NA,"PDBC44286","623762","Present",NA,NA
+"44287","NSC623766",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623766",NA,"C1C(=NNC(=S)N)C(C(=O)CN1C2=CC(=C(C=C2)Cl)Cl)C3=NC4=CC=CC=C4S3","RLTDGXKUQSPXLB-OYKKKHCWSA-N",5464920,NA,"PDBC44287","623766","Present",NA,NA
+"44288","NSC623767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623767",NA,"C1=CC=C2C(=C1)N=C(O2)C3C(=NNC(=O)NN)C(=O)N(C(=O)C3=O)C4=CC(=C(C=C4)Cl)Cl","ONBAUDJTSFOGPV-AFUMVMLFSA-N",5464921,NA,"PDBC44288","623767","Present",NA,NA
+"44289","NSC623768",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623768",NA,"CC1=CC(=C(C=C1)C)N2C(=O)C(=NNC(=O)C3=CC=CC=C3O)C(C(=O)C2=O)C4=NC5=CC=CC=C5O4","QMLXIABJHHORSX-QUPMIFSKSA-N",5479887,NA,"PDBC44289","623768","Present",NA,NA
+"44290","NSC623774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623774",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=O)CC#N)C(=O)NC(=O)C3=O","RQLZOGZUNJPJSN-RGVLZGJSSA-N",5479888,NA,"PDBC44290","623774","Present",NA,NA
+"44291","NSC623787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623787",NA,"CC1CCC2(CC1)NN=C3N(N2)C(=O)C(=CC4=CC=C(C=C4)OC)S3","ZLZSIRKOTVRQLP-RVDMUPIBSA-N",5387455,NA,"PDBC44291","623787","Present",NA,NA
+"44292","NSC623788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623788",NA,"CCC1(NN=C2N(N1)C(=O)C(=CC3=CC=C(C=C3)OC)S2)C","HDTHTJIUIXVILS-FMIVXFBMSA-N",5387456,NA,"PDBC44292","623788","Present",NA,NA
+"44293","NSC623791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623791",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C(=NNC4(N3)CCCCC4)S2","DXPZBOPAFYCFPU-SDNWHVSQSA-N",962833,NA,"PDBC44293","623791","Present",NA,NA
+"44294","NSC623795",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623795",NA,"CN(C)CCNC(=O)C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3.Cl","AFUCXGWVEIXQBR-UHFFFAOYSA-N",361052,NA,"PDBC44294","623795","Present",NA,NA
+"44295","NSC623796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623796",NA,"CCN(CC)CCCNC(=O)C1COC2=C(O1)C=CC(=C2)C3=CC(=O)C4=CC=CC=C4O3.Cl","FUOXNJMEPHKPAL-UHFFFAOYSA-N",361054,NA,"PDBC44295","623796","Present",NA,NA
+"44296","NSC623878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623878",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)C)C(=O)C","JCHHDJNRJYEQRR-UYRXBGFRSA-N",5386881,NA,"PDBC44296","623878","Present",NA,NA
+"44297","NSC623884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623884",NA,"CCOC(=O)C(=C(C(=NNC1=CC=CC(=C1)C(F)(F)F)C(=O)OCC)N)C#N","CVDDQGLJBWQSBL-UWXFXBEJSA-N",5464922,NA,"PDBC44297","623884","Present",NA,NA
+"44298","NSC623902",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623902",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C3=NC4=C(N3)C=C(C=C4)Cl","UIUFPVZMPHUHCY-UDWIEESQSA-N",5387466,NA,"PDBC44298","623902","Present",NA,NA
+"44299","NSC623903",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623903",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=C(N3)C(=O)C5=CC=CC=C5C4=O)N)C6=NC7=C(N6)C(=O)C8=CC=CC=C8C7=O","JYQVMWJDOAEQJQ-XROAYDFBSA-N",5387467,NA,"PDBC44299","623903","Present",NA,NA
+"44300","NSC623904",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623904",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=CC=CC=C4N3)NC(=O)C5=CC=CC=C5)C6=NC7=CC=CC=C7N6","AFVNBVDFNWYIBJ-DQWRGTGXSA-N",5387468,NA,"PDBC44300","623904","Present",NA,NA
+"44301","NSC623905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623905",NA,"CN(C)C1=CC=C(C=C1)C=C(C2=NC3=C(N2)C4=C(C=C3)C(=O)C5=CC=CC=C5C4=O)NC(=O)C6=CC=CC=C6","AWGCIRNDWWXCLV-ITYLOYPMSA-N",135510066,NA,"PDBC44301","623905","Present",NA,NA
+"44302","NSC623911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623911",NA,"CC(=O)NC(=CC1=CC=C(C=C1)C=C(C2=NC3=C(N2)C=C(C=C3)Cl)NC(=O)C)C4=NC5=CC=CC=C5N4","LIQGHQIADVHFLU-WFBNZKAHSA-N",5387473,NA,"PDBC44302","623911","Present",NA,NA
+"44303","NSC623912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623912",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2Cl)C3=NC4=CC=CC=C4N3","VSOLNQCYYIFZJO-ZHZULCJRSA-N",5387474,NA,"PDBC44303","623912","Present",NA,NA
+"44304","NSC623913",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623913",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=C(C2=NC3=C(N2)C=C(C=C3)Cl)NC(=O)C4=CC=C(C=C4)N","LJKRWQUQDCHKMO-JAIQZWGSSA-N",5387475,NA,"PDBC44304","623913","Present",NA,NA
+"44305","NSC623955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623955",NA,"C1C(N=CC2=C1C3=CC=CC=C3N2)C(=O)O.Cl","KLOFENHROGHQRN-UHFFFAOYSA-N",361128,NA,"PDBC44305","623955","Present",NA,NA
+"44306","NSC623956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623956",NA,"COC(=O)C1CC2=C(C=N1)NC3=CC=CC=C23.Cl","YZHRVTOWCOAODU-UHFFFAOYSA-N",361130,NA,"PDBC44306","623956","Present",NA,NA
+"44307","NSC623960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623960",NA,"CC1C(OP(=S)(N1)OCC2C(C=CC3=C2C=CC=C3OC)C=C)C4=CC=CC=C4","WRXZTPZJAJOLSM-QRLFYKARSA-N",6711369,NA,"PDBC44307","623960","Present",NA,NA
+"44308","NSC623999",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC623999",NA,"C1C(NC2=CC=CC=C2C1=NNC(=S)N)C3=CC=CC=C3","YDXUUFRVDDEWAP-XDJHFCHBSA-N",135510067,NA,"PDBC44308","623999","Present",NA,NA
+"44309","NSC624018",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624018",NA,"CCNC(=O)C(C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O)O","AMVOSMMWUPSGNN-NXXASIDBSA-N",361176,NA,"PDBC44309","624018","Present",NA,NA
+"44310","NSC624044",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624044",NA,"COC(=O)C1CSC(=S)N1C(=O)CC2CC=CCC2CC(=O)SC3=CC=CC=C3","LXEGAFANKHTMTD-VYDXJSESSA-N",361178,NA,"PDBC44310","624044","Present",NA,NA
+"44311","NSC624165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624165",NA,"C1=CC=C(C(=C1)CSSCCCCS(=O)O)CSSCCCCS(=O)O.[Na+]","VTAGTCCODJQQNH-UHFFFAOYSA-N",54608663,NA,"PDBC44311","624165","Present",NA,NA
+"44312","NSC624166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624166",NA,"C(CCS(=O)O)CSSCCNCCCN.Cl","FWWWVTXHUGPYRG-UHFFFAOYSA-N",361203,NA,"PDBC44312","624166","Present",NA,NA
+"44313","NSC624172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624172",NA,"C1=CC=C(C(=C1)CSSCCNCCCN)CSSCCNCCCN.Cl","KAAVMYQPXLBCAU-UHFFFAOYSA-N",361211,NA,"PDBC44313","624172","Present",NA,NA
+"44314","NSC624197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624197",NA,"C(CCSSCCCS(=O)O)CSSCCCS(=O)O.[Na+]","IXBSTHLKSUEMRA-UHFFFAOYSA-N",54607991,NA,"PDBC44314","624197","Present",NA,NA
+"44315","NSC624198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624198",NA,"C(CCSSCCCCSSCCCCCS(=O)O)CCS(=O)O.[Na+]","QCDQJFJMDHFPFS-UHFFFAOYSA-N",54604861,NA,"PDBC44315","624198","Present",NA,NA
+"44316","NSC624200",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624200",NA,"COC1=CC(=C(C(=C1)OC)SSCCCCS(=O)O)OC.[Na+]","NPHZFAZPDBGVSL-UHFFFAOYSA-N",54600761,NA,"PDBC44316","624200","Present",NA,NA
+"44317","NSC624204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624204",NA,"C(CCS(=O)O)CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.[Na+]","MZPCCGXWEDDDMK-UHFFFAOYSA-N",54598743,NA,"PDBC44317","624204","Present",NA,NA
+"44318","NSC624205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624205",NA,"C(CCSSCCCCS(=O)O)CSSCCCCS(=O)O.[Na+]","ZVGUXGAHRNBYJC-UHFFFAOYSA-N",54608649,NA,"PDBC44318","624205","Present",NA,NA
+"44319","NSC624248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624248",NA,"C1C#CCS(=O)(=O)CC#CCC(C1CO)CO","HCYUXMIJQUSDOX-TXEJJXNPSA-N",361301,NA,"PDBC44319","624248","Present",NA,NA
+"44320","NSC624346",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624346",NA,"COC1=C(C=C2C(=C1)CC[N+]3=C2C4=C(C=CC(=C4)O)N=N3)OC.[Cl-]","UCOVKJDWIIVFEQ-UHFFFAOYSA-N",135510068,NA,"PDBC44320","624346","Present",NA,NA
+"44321","NSC624350",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624350",NA,"CC1CCC(C(C1)(CC(=O)N)O)C(C)C","DTTWYUOTCFBTHI-UPCOPKIUSA-N",6711370,NA,"PDBC44321","624350","Present",NA,NA
+"44322","NSC624353",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624353",NA,"CC(=O)OC1(CC2C3COC(OC3CCC2(CC1=O)C)(C)C)SC4=CC=CC=C4","ZNIZFWKJSBADSP-DMHPXOALSA-N",361327,NA,"PDBC44322","624353","Present",NA,NA
+"44323","NSC624359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624359",NA,"CC12CCC(=NNC(=O)N)C3C1CCCC23","WMRCJJSQPCMZJI-ZROIWOOFSA-N",5464923,NA,"PDBC44323","624359","Present",NA,NA
+"44324","NSC624360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624360",NA,"CC12CCC(=O)CC1CCC(C2Br)O","PRBNEHNGQDWVRV-FFFOGLNVSA-N",361334,NA,"PDBC44324","624360","Present",NA,NA
+"44325","NSC624361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624361",NA,"CC12CCC(=O)CC1CCC(C2Br)OC=O","UJTJDOHSJHHHNU-HBCVRQPNSA-N",361335,NA,"PDBC44325","624361","Present",NA,NA
+"44326","NSC624363",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624363",NA,"CC12CCCC(C1CC(CC2)C(C)(C)O)O","PYDYAPFBFDTVMM-NRWUCQMLSA-N",361337,NA,"PDBC44326","624363","Present",NA,NA
+"44327","NSC624364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624364",NA,"CC12CCCC(C1CC(CC2)CO)O","BEKIKKBAEGCYLM-WISYIIOYSA-N",361338,NA,"PDBC44327","624364","Present",NA,NA
+"44328","NSC624365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624365",NA,"CC12CCCC(=O)C1CC(CC2)C(=O)O","KYEYIIDIACQPML-YKXYSFTHSA-N",361339,NA,"PDBC44328","624365","Present",NA,NA
+"44329","NSC624367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624367",NA,"CC12CCCC(=O)C1(CC(CC2)C(=O)O)O","GCIPYRBKVDJHNW-LYFNNULSSA-N",361341,NA,"PDBC44329","624367","Present",NA,NA
+"44330","NSC624368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624368",NA,"CC12CCCC(C1(CC(CC2)C(C)(C)O)O)O","AHYIVEOLTLPACY-MLWDRFBSSA-N",361342,NA,"PDBC44330","624368","Present",NA,NA
+"44331","NSC624370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624370",NA,"CC1CCC(C2(C1CC(CC2)C(=C)C)C)O","SZJYIPBMAVTAPS-FVQCCKEXSA-N",361344,NA,"PDBC44331","624370","Present",NA,NA
+"44332","NSC624371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624371",NA,"CC12CCC(C1C3C2CCC3)(C)O","FQXBWZZZRBCNIJ-JEDMMJBGSA-N",6711372,NA,"PDBC44332","624371","Present",NA,NA
+"44333","NSC624372",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624372",NA,"CC12CCCC(C1(CC(CC2)C(=O)O)O)OC=O","MBTGPHSLXJJXMP-IRZOWQPXSA-N",361346,NA,"PDBC44333","624372","Present",NA,NA
+"44334","NSC624373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624373",NA,"CC12CCCC(C1(CC(CC2)C(=O)O)O)Cl","GHQBJDKDNJSWFB-RVJXMIQCSA-N",361347,NA,"PDBC44334","624373","Present",NA,NA
+"44335","NSC624374",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624374",NA,"CC1=CC(=O)CC2(C13CC(CC2)C(O3)(C)C)C","GOGQVLFORQZAOZ-QTWGFKIWSA-N",361348,NA,"PDBC44335","624374","Present",NA,NA
+"44336","NSC624375",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624375",NA,"CC1C(=O)CCC2(C1(CC(CC2)C(C)(C)O)O)C","RPYUWFZMGJFEJZ-UZBKSZPOSA-N",361349,NA,"PDBC44336","624375","Present",NA,NA
+"44337","NSC624376",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624376",NA,"CC1=C2CCCC2=CC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])CC1","ZGRNQAHLXYOJOQ-QGOAFFKASA-N",5494327,NA,"PDBC44337","624376","Present",NA,NA
+"44338","NSC624378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624378",NA,"C1CCC2(CCOC2=O)C(C1)CC(=O)O","WKQSBPRCBUZEKV-RZZZFEHKSA-N",361352,NA,"PDBC44338","624378","Present",NA,NA
+"44339","NSC624379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624379",NA,"CC1(C(CCC2(C1=CCCC2=O)C)O)C","VPZIXECAMMBHLM-GWCFXTLKSA-N",361353,NA,"PDBC44339","624379","Present",NA,NA
+"44340","NSC624383",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624383",NA,"CC(C(C1=CC=CC=C1)O)C(=O)C23CC4CC(C2)CC(C4)C3","UTMGSMUZUXLPQE-VIHWIYBNSA-N",361357,NA,"PDBC44340","624383","Present",NA,NA
+"44341","NSC624385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624385",NA,"CC1=CC(=O)CCC2(C1CCC2OC=O)C","GNWMWSKEAPGFAI-CPCZMJQVSA-N",361359,NA,"PDBC44341","624385","Present",NA,NA
+"44342","NSC624387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624387",NA,"CC1(OC(=O)C(O1)(C)C(C2=CC=CC=C2)O)C","BNWRDPGLBYUNCQ-ZWNOBZJWSA-N",361361,NA,"PDBC44342","624387","Present",NA,NA
+"44343","NSC624388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624388",NA,"CC1C=CC(C2(C1CCC3(C2)OCCO3)CO)O","GPAQGPDCNKWUAK-SKQCGHHBSA-N",361362,NA,"PDBC44343","624388","Present",NA,NA
+"44344","NSC624390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624390",NA,"CC12CCC(=O)CC1(CC=CC2=O)C","ABOUIVMTJHDKRH-VXGBXAGGSA-N",361364,NA,"PDBC44344","624390","Present",NA,NA
+"44345","NSC624391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624391",NA,"CC1C2CC=CC(=O)C2(CCC13OCCO3)C","ZFKCZDPYSCMLMP-XIVSLSHWSA-N",361365,NA,"PDBC44345","624391","Present",NA,NA
+"44346","NSC624404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624404",NA,"CC(C)C1=CC(=O)C(=C(C=C1)C(C2=CC=C(C=C2)OCC(=O)O)C3=C(C(=O)C=C(C=C3)C(C)C)O)O.[Na+]","GPSYCFXOPHZSER-UHFFFAOYSA-N",54608904,NA,"PDBC44346","624404","Present",NA,NA
+"44347","NSC624416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624416",NA,"C1OC2=C(O1)C=C(C=C2)C=C(C3=NC4=C(N3)C(=O)NC(=S)N4)NC(=O)C5=CC=C(C=C5)N","GUUQPBLJSNNXBS-QPEQYQDCSA-N",5387514,NA,"PDBC44347","624416","Present",NA,NA
+"44348","NSC624419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624419",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=CC(=C2)Cl)Cl)C3=NC4=C(N3)C(=O)NC(=S)N4","DLDRQYXWWLRNGZ-ZROIWOOFSA-N",5387517,NA,"PDBC44348","624419","Present",NA,NA
+"44349","NSC624422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624422",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=C(N3)N=C(N=C4O)S)NC(=O)C5=CC=CC=C5)C6=NC7=C(N6)N=C(N=C7O)S","OGTPDIUYMWLKRH-BMJUYKDLSA-N",135510069,NA,"PDBC44349","624422","Present",NA,NA
+"44350","NSC624423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624423",NA,"COC1=CC(=CC(=C1OC)OC)C=C(C2=NC3=C(N2)C(=O)NC(=S)N3)NC(=O)C4=CC=CC=C4","MLZCQCBZBHPDFW-ZROIWOOFSA-N",5387520,NA,"PDBC44350","624423","Present",NA,NA
+"44351","NSC624433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624433",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)C=C(C3=NC4=C(N3)C=CC(=C4)Cl)NC(=O)C5=CC=CC=C5)C6=NC7=C(N6)C=CC(=C7)Cl","LFNDAGSBDJYDPC-NBDJWBGESA-N",135510071,NA,"PDBC44351","624433","Present",NA,NA
+"44352","NSC624434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624434",NA,"CC(=O)NC(=CC1=CC=C(C=C1)C=C(C2=NC3C(N2)C(=O)C4=CC=CC=C4C3=O)NC(=O)C)C5=NC6C(N5)C(=O)C7=CC=CC=C7C6=O","JCIXNTQVQXGQAS-YXHOTNNGSA-N",5387530,NA,"PDBC44352","624434","Present",NA,NA
+"44353","NSC624441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624441",NA,"CC1=CC=C(C=C1)C=C2C(=O)OC(=N2)C","DRSAXSPSSHVKSE-XFFZJAGNSA-N",1550070,NA,"PDBC44353","624441","Present",NA,NA
+"44354","NSC624446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624446",NA,"CC1=NC(=CC2=CC=C(C=C2)C=C3C(=O)OC(=N3)C)C(=O)O1","WCIRCRMUTTYYLP-MFUUIURDSA-N",2185315,NA,"PDBC44354","624446","Present",NA,NA
+"44355","NSC624454",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624454",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=C(C=C2)Br)C3=NC4=CC=CC=C4S3","RQMTUTZPMIGREJ-RGEXLXHISA-N",5387548,NA,"PDBC44355","624454","Present",NA,NA
+"44356","NSC624507",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624507",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC2CC(=CC(=O)O2)OC)C","KWMXSAMVKSULMY-HUKVCQRGSA-N",5387554,NA,"PDBC44356","624507","Present",NA,NA
+"44357","NSC624508",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624508",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC2CC(=CC(=O)O2)N(C)C)C","JXHYZARGBJTQGE-MKQCFFQWSA-N",5387555,NA,"PDBC44357","624508","Present",NA,NA
+"44358","NSC624513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624513",NA,"CC1C(OC(OC1C(C)(C(C(C)C(OC)OC)O)O)(C)C)C(C)C=C(C)C","MSTQJGOAMRAIES-VDOSHANBSA-N",6711375,NA,"PDBC44358","624513","Present",NA,NA
+"44359","NSC624517",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624517",NA,"CC1CC2CC(=C)C(C2(C(C1)O)CCCN)O","PHZPENDKWOXXAB-RVVFDFDBSA-N",361480,NA,"PDBC44359","624517","Present",NA,NA
+"44360","NSC624520",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624520",NA,"CCOC(=O)C(CCC=CC1=CC=CC=C1)N2CCCC2C(=O)OC","HKAAPZSXCIICKQ-LFRBKKLFSA-N",5387559,NA,"PDBC44360","624520","Present",NA,NA
+"44361","NSC624522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624522",NA,"CC1CC(=O)C2=CCCC3(C2C1CO)SCCCS3","VGIPSDFQKHCMNK-JKOKRWQUSA-N",361485,NA,"PDBC44361","624522","Present",NA,NA
+"44362","NSC624662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624662",NA,"CN1C(=C(C2=CC=CC=C2S1(=O)=O)[O-])C(=O)NC3=CC=CC=N3.CN1C(=C(C2=CC=CC=C2S1(=O)=O)[O-])C(=O)NC3=CC=CC=N3.CN(C)C=O.CN(C)C=O.[Cu+2]","PXLLOIQWFSZWKR-UHFFFAOYSA-L",24202084,NA,"PDBC44362","624662","Present",NA,NA
+"44363","NSC624852",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624852",NA,"C1=CC=C(C=C1)P(=NN=C2C=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","HJAJSXPYCWUMII-UHFFFAOYSA-N",329848,NA,"PDBC44363","624852","Present",NA,NA
+"44364","NSC624866",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624866",NA,"CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C=C2CCC(=CC3=C(C(=C(N3)C(=O)OC(C)(C)C)C)C)C2=O","FMHUDYTXFMKFFN-IWGRKNQJSA-N",5387572,NA,"PDBC44364","624866","Present",NA,NA
+"44365","NSC624902",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624902",NA,NA,NA,NA,NA,"PDBC44365","624902","Present",NA,NA
+"44366","NSC624943",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624943",NA,"CC1=NC(=O)N2CCCNC2=C1C(=O)NC3=CC=C(C=C3)Cl.Cl","FFMIXBKONITCJY-UHFFFAOYSA-N",361700,NA,"PDBC44366","624943","Present",NA,NA
+"44367","NSC624946",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624946",NA,"C1CN2C(=CC(=NC2=O)C=CC3=CC=CC=C3Cl)N1CCO.Cl","PGJZQMMAICZYLE-IPZCTEOASA-N",5387583,NA,"PDBC44367","624946","Present",NA,NA
+"44368","NSC624965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624965",NA,"C[S+](C)CCOC(=O)C(=[N+]=[N-])C1=CC=C(C=C1)[N+](=O)[O-].[I-]","RVWYUCAAPBQHQU-UHFFFAOYSA-M",361722,NA,"PDBC44368","624965","Present",NA,NA
+"44369","NSC624978",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624978",NA,"C1=CC=C(C=C1)C=C2C3C(C(=CC4=CC=CC=C4)C2=O)C(=CC5=CC=CC=C5)C(=O)C3=CC6=CC=CC=C6","DHQCQYHJPBFOQY-BKOROICWSA-N",5387594,NA,"PDBC44369","624978","Present",NA,NA
+"44370","NSC625063",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625063",NA,"C1CCC2(CCCC2C1)O","KMGJVGCSNRGWHH-IUCAKERBSA-N",361791,NA,"PDBC44370","625063","Present",NA,NA
+"44371","NSC625125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625125",NA,"CCOC(=O)C(=C1C(=C(C(=C1O)C(=O)OC)C(=O)OC)C(=O)OC)C#N.C1=CC=NC=C1","IMLLSFKGBRZUJU-USRGLUTNSA-N",54679362,NA,"PDBC44371","625125","Present",NA,NA
+"44372","NSC625127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625127",NA,"C1=CC=C2C(=C1)C3C(C2=NN)C4=CC=CC=C4C3=NN","RXYVGJAAYBZNML-VBGLAJCLSA-N",5387603,NA,"PDBC44372","625127","Present",NA,NA
+"44373","NSC625129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625129",NA,"CCC1=C(C(=CC2=C(C(=C(N2)CBr)CC)C)N=C1CBr)C.Br","SVCNDUYVOVYZOO-DFPPEFKWSA-N",5387604,NA,"PDBC44373","625129","Present",NA,NA
+"44374","NSC625130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625130",NA,"CCC1=C(C(=CC2=C(C(=C(N2)C(Br)Br)CC)C)N=C1C(Br)Br)C.Br","FOUCWSJDLWQKOT-QCCGTXRUSA-N",5387606,NA,"PDBC44374","625130","Present",NA,NA
+"44375","NSC625138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625138",NA,NA,NA,NA,NA,"PDBC44375","625138","Present",NA,NA
+"44376","NSC625182",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625182",NA,"C(#N)C(C#N)C(=C(C#N)C#N)C(C#N)C#N.[Na+]","WPPPJNJOBILAPF-UHFFFAOYSA-N",54608842,NA,"PDBC44376","625182","Present",NA,NA
+"44377","NSC625224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625224",NA,"CCOC(=O)C1=CC=C(C=C1)C(=NNC(=S)N)C","NYOVFIKVLXMCRW-RIYZIHGNSA-N",5464931,NA,"PDBC44377","625224","Present",NA,NA
+"44378","NSC625384",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625384",NA,NA,NA,NA,NA,"PDBC44378","625384","Present",NA,NA
+"44379","NSC625401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625401",NA,"CC=CCC(C)C(C(C(=O)O)NC)O","AHQFCPOIMVMDEZ-UCBGGLTGSA-N",5387627,NA,"PDBC44379","625401","Present",NA,NA
+"44380","NSC625459",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625459",NA,"CCCCCCCCCCCCCCCCOP(=O)(O)OC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OP(=O)(O)OCCCCCCCCCCCCCCCC.[Na+]","MVOYZAAYVXEYKK-VLSXRWFESA-N",54607997,NA,"PDBC44380","625459","Present",NA,NA
+"44381","NSC625493",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625493",NA,NA,NA,NA,NA,"PDBC44381","625493","Present",NA,NA
+"44382","NSC625494",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625494",NA,NA,NA,NA,NA,"PDBC44382","625494","Present",NA,NA
+"44383","NSC625496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625496",NA,NA,NA,NA,NA,"PDBC44383","625496","Present",NA,NA
+"44384","NSC625500",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625500",NA,NA,NA,NA,NA,"PDBC44384","625500","Present",NA,NA
+"44385","NSC625503",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625503",NA,NA,NA,NA,NA,"PDBC44385","625503","Present",NA,NA
+"44386","NSC625504",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625504",NA,NA,NA,NA,NA,"PDBC44386","625504","Present",NA,NA
+"44387","NSC625505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625505",NA,NA,NA,NA,NA,"PDBC44387","625505","Present",NA,NA
+"44388","NSC625507",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625507",NA,NA,NA,NA,NA,"PDBC44388","625507","Present",NA,NA
+"44389","NSC625508",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625508",NA,NA,NA,NA,NA,"PDBC44389","625508","Present",NA,NA
+"44390","NSC625509",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625509",NA,NA,NA,NA,NA,"PDBC44390","625509","Present",NA,NA
+"44391","NSC625510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625510",NA,NA,NA,NA,NA,"PDBC44391","625510","Present",NA,NA
+"44392","NSC625511",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625511",NA,NA,NA,NA,NA,"PDBC44392","625511","Present",NA,NA
+"44393","NSC625521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625521",NA,"CCC=CC1=CC2=C(C(CC2C)C)C3=C1C=CN3.CCC=CC1=C2C(CC(C2=C3C(=C1)C=CN3)C)C.CCC1=CC2=C(C(CC2C)C)C3=C1C=CN3","CHXHHDQGDDVOMU-LCHCATCMSA-N",5387641,NA,"PDBC44393","625521","Present",NA,NA
+"44394","NSC625528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625528",NA,"CC1(OC2C(O1)OC3C2(CC(=O)CC3)O)C","CIZJVNWLOIYUJC-UVCIYIGYSA-N",362030,NA,"PDBC44394","625528","Present",NA,NA
+"44395","NSC625540",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625540",NA,"C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3.[O-]S(=O)(=O)[O-].[Fe+2]","UDYDSHGHSODGIX-PJPLBZAPSA-L",24202086,NA,"PDBC44395","625540","Present",NA,NA
+"44396","NSC625544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625544",NA,"CC(=O)[O-].C1=CC=C(C=C1)C(=NNC2=CC=CC=N2)C3=CC=CC=N3.[Zn]","LKQQGBLWMYDLBX-PJPLBZAPSA-M",24202088,NA,"PDBC44396","625544","Present",NA,NA
+"44397","NSC625558",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625558",NA,"C(CCCC1C(S1)CCCCCCO)CCCC(=O)O","ARJGPBKDKJIWBE-CABCVRRESA-N",362049,NA,"PDBC44397","625558","Present",NA,NA
+"44398","NSC625559",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625559",NA,"C(CCCC1C(S1)CCCCCCO)CCCC(=O)O","ARJGPBKDKJIWBE-GJZGRUSLSA-N",6711399,NA,"PDBC44398","625559","Present",NA,NA
+"44399","NSC625563",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625563",NA,"COC(=O)C=CC1C(C2(CCC1(N2)C(=O)OC)C(=O)OC)C(=O)OC","JZWLDPATPYTKFV-WAYWQWQTSA-N",5387654,NA,"PDBC44399","625563","Present",NA,NA
+"44400","NSC625565",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625565",NA,"C1C#CC=CC#CCC(C1CO)CO","RWXGVZMSGXCBST-ZLLARURESA-N",11969810,NA,"PDBC44400","625565","Present",NA,NA
+"44401","NSC625567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625567",NA,"CC1C(=O)N(C2(C1(C(OC2=O)C)O)C(=O)OC)C","GXDBIVNVLFHXQZ-OYKMWWTNSA-N",362055,NA,"PDBC44401","625567","Present",NA,NA
+"44402","NSC625568",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625568",NA,"CC1C(=O)N(C2(C1(C(OC2=O)C)O)CO)C","TXSDNAKHRKBAPX-KHFVAWQXSA-N",362056,NA,"PDBC44402","625568","Present",NA,NA
+"44403","NSC625572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625572",NA,NA,NA,NA,NA,"PDBC44403","625572","Present",NA,NA
+"44404","NSC625575",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625575",NA,NA,NA,NA,NA,"PDBC44404","625575","Present",NA,NA
+"44405","NSC625591",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625591",NA,"CC1=C2CCC(=C3CC4=C(C=CC=C4C3=O)C)C2=CC=C1","LTKWZEVBSMVSLA-MNDPQUGUSA-N",5387658,NA,"PDBC44405","625591","Present",NA,NA
+"44406","NSC625595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625595",NA,"CC(=CC1=CC=CC=C1)C(O)S(=O)(=O)O.[Na+]","KIXNVWGEPUYGCZ-USRGLUTNSA-N",54608640,NA,"PDBC44406","625595","Present",NA,NA
+"44407","NSC625628",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625628",NA,"CCN(CC)CCCC(C)NC1=C2C=C(C=C(C2=NC3=C1C=CC(=C3C)Cl)C)OC.Cl","CISDVUAOIFQLIR-UHFFFAOYSA-N",362099,NA,"PDBC44407","625628","Present",NA,NA
+"44408","NSC625640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625640",NA,"C1=CC=C(C=C1)C=CC(O)S(=O)(=O)O.[Na+]","HSCJSSZVOWPJTG-UHDJGPCESA-N",54600779,NA,"PDBC44408","625640","Present",NA,NA
+"44409","NSC625650",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625650",NA,"COC1=CC=C(C=C1)C(=NNC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)OC","CGAHFXXGUKHVGG-DARPEHSRSA-N",5908734,NA,"PDBC44409","625650","Present",NA,NA
+"44410","NSC625712",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625712",NA,"CCOC(=O)CC12CCCNC1(CCC3=CC=CC=C23)C.Cl","MYIVIVDHANPGKM-JAXOOIEVSA-N",362136,NA,"PDBC44410","625712","Present",NA,NA
+"44411","NSC625713",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625713",NA,"CCOC(=O)CC12CCCNC1(CCC3=CC=CC=C23)C.Br","PSIPHODYRUQRPN-MVFUPKDGSA-N",362138,NA,"PDBC44411","625713","Present",NA,NA
+"44412","NSC625734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625734",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C=CCC1=C(C(=CC=C1)C=NN=C(N)NO)O","RXMGSUKNJGBTRL-QCCGTXRUSA-N",135510073,NA,"PDBC44412","625734","Present",NA,NA
+"44413","NSC625735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625735",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1OC2=C(O1)C=C(C(=C2)C=NN=C(N)NO)Cl","AKQYTBADLAGCDB-QXKVDVGOSA-N",9569921,NA,"PDBC44413","625735","Present",NA,NA
+"44414","NSC625738",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625738",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1C=NN=C(N)NO)O)Cl)Cl","YRBHFSQIQPAZII-RZDFXPFOSA-N",135510077,NA,"PDBC44414","625738","Present",NA,NA
+"44415","NSC625740",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625740",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1O)C=NN=C(N)NO)O)O","JGMSYMJWILQERY-HVHUWTQGSA-N",135510081,NA,"PDBC44415","625740","Present",NA,NA
+"44416","NSC625749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625749",NA,"CN(C)C1=CC(=C(C=C1)C2(CC3CCCN(C3)CCC4=C2NC5=CC=CC=C45)C(=O)OC)OC","PIFNLEHBGRNRKU-VKGTZQKMSA-N",6711412,NA,"PDBC44416","625749","Present",NA,NA
+"44417","NSC625782",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625782",NA,"C=C1C(=O)CC23C1(CCC2)CC(C3)O","IZGISEADGNHGAL-CLGJWYQZSA-N",362191,NA,"PDBC44417","625782","Present",NA,NA
+"44418","NSC625783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625783",NA,"COCOC1CC23CCCC2(C1)C(=C)C(=O)C3","DRJBQSFFNCKLBA-SBKAZOPESA-N",362192,NA,"PDBC44418","625783","Present",NA,NA
+"44419","NSC625804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625804",NA,"CC1C(OP(=O)(N1C)CC=C)C2=CC=CC=C2","MYGKXPFVVGVJJU-BNLOLNQZSA-N",11969812,NA,"PDBC44419","625804","Present",NA,NA
+"44420","NSC625805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625805",NA,"CC1C(OP(=O)(N1C(C)C)CC=C)C2=CC=CC=C2","GJFLEVRQAHBHOM-GSTZGWFYSA-N",11969813,NA,"PDBC44420","625805","Present",NA,NA
+"44421","NSC625806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625806",NA,"CC1C(OP(=O)(N1C(C)C)CC=C)C2=CC=CC=C2","GJFLEVRQAHBHOM-GDSKCEIESA-N",11969814,NA,"PDBC44421","625806","Present",NA,NA
+"44422","NSC625807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625807",NA,"CC1C(OP(=O)(N1C(C)C)CC2=CCCCC2)C3=CC=CC=C3","WVSPGKLSTNAFMP-RUMUXARQSA-N",11969815,NA,"PDBC44422","625807","Present",NA,NA
+"44423","NSC625808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625808",NA,"CC1C(OP(=O)(N1C(C)C)CC2=CCCCC2)C3=CC=CC=C3","WVSPGKLSTNAFMP-GAKOPZHISA-N",11969816,NA,"PDBC44423","625808","Present",NA,NA
+"44424","NSC625857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625857",NA,NA,NA,NA,NA,"PDBC44424","625857","Present",NA,NA
+"44425","NSC625859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625859",NA,"C1=CC=NC(=C1)NN=CC2=C(C(=CC(=C2)Cl)Cl)[OH2+].[O-]S(=O)(=O)[O-].[Fe+2]","FXYPBFWYQVMKOZ-WHYKZYOGSA-M",54607998,NA,"PDBC44425","625859","Present",NA,NA
+"44426","NSC625860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625860",NA,NA,NA,NA,NA,"PDBC44426","625860","Present",NA,NA
+"44427","NSC625863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625863",NA,"CC(=O)[O-].C1=CC=NC(=C1)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-].[Zn+2]","KYQMNEWRYXBBAO-WHYKZYOGSA-L",54608793,NA,"PDBC44427","625863","Present",NA,NA
+"44428","NSC625864",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625864",NA,"CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[OH2+].[Mn+2]","ACIWNANWKFCRJV-SLWJBZKLSA-M",54600780,NA,"PDBC44428","625864","Present",NA,NA
+"44429","NSC625865",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625865",NA,"CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)O.[Cu+2]","KXWDNAUDPDDXEV-SLWJBZKLSA-L",135510087,NA,"PDBC44429","625865","Present",NA,NA
+"44430","NSC625866",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625866",NA,"C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[OH2+].[O-]S(=O)(=O)[O-].[Fe+2]","MNVZPWAECZBQAS-YDJBHICRSA-M",54608919,NA,"PDBC44430","625866","Present",NA,NA
+"44431","NSC625867",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625867",NA,"CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[OH2+].[Co+2]","YLOKOJBZBSLYQW-SLWJBZKLSA-M",54602254,NA,"PDBC44431","625867","Present",NA,NA
+"44432","NSC625868",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625868",NA,"CC(=O)[O-].CC(=O)[O-].C1=CN=CC=C1C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[OH2+].[Zn+2]","XKRUJPZOAHSGSK-SLWJBZKLSA-M",54598752,NA,"PDBC44432","625868","Present",NA,NA
+"44433","NSC625876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625876",NA,"CC(=O)C(=CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)OC","ODAXUXKBZGTDPI-SFQUDFHCSA-N",5387708,NA,"PDBC44433","625876","Present",NA,NA
+"44434","NSC625896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625896",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=NNC(=S)N)C(C)C(=O)C2=CC=C(C=C2)Cl","IYDVSJHFCIYTOY-JJIBRWJFSA-N",5464933,NA,"PDBC44434","625896","Present",NA,NA
+"44435","NSC625902",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625902",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C(=O)NC5=NC(=CS5)[N+](=O)[O-]","RKCBZBDWGNJAKG-ZTKZIYFRSA-N",5482449,NA,"PDBC44435","625902","Present",NA,NA
+"44436","NSC625903",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625903",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)CCCC(=O)C2CC(=NO)CCC2=NO","BNIJLZFNDIVPNP-CZHHEZJISA-N",9569939,NA,"PDBC44436","625903","Present",NA,NA
+"44437","NSC625907",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625907",NA,"C1CC(C(=NO)C1)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl","RAOXRHLIHPVNKW-AQTBWJFISA-N",5464937,NA,"PDBC44437","625907","Present",NA,NA
+"44438","NSC625911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625911",NA,"C1=CC(=CC=C1C(=O)CC(=NO)CCC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl","AXDXLJQAAHHNJA-UCQKPKSFSA-N",5464939,NA,"PDBC44438","625911","Present",NA,NA
+"44439","NSC625912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625912",NA,"C1C(C(=NNC(=O)C(=O)N)C2=CC=CC=C21)C3(C4=C(C(=CC(=C4)Cl)Cl)NC3=O)O","AMYBEIWLALUSRY-OYKKKHCWSA-N",5479890,NA,"PDBC44439","625912","Present",NA,NA
+"44440","NSC625915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625915",NA,"CC1=CC=CC=C1NC(=O)C(=NNC(=O)CC#N)C2C(=NN(C2=O)C3=CC=CC=C3)N","YLUYSEGYTYPHBT-NLRVBDNBSA-N",5464940,NA,"PDBC44440","625915","Present",NA,NA
+"44441","NSC625916",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625916",NA,"C1C2CC3CC1CC(C2)C3NC(=O)C(=NNC(=S)N)C(C#N)C4=CC=C(C=C4)Cl","AFYWNGRXUNAXHE-LGUFXXKBSA-N",5464941,NA,"PDBC44441","625916","Present",NA,NA
+"44442","NSC625917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625917",NA,"CC1=C(C=C(C=C1)NC(=O)C(=NNC(=O)CC#N)C2C(=NN(C2=O)C3=CC=CC=C3)N)C","HSQMSZRNNFXZJZ-ZXVVBBHZSA-N",5464942,NA,"PDBC44442","625917","Present",NA,NA
+"44443","NSC625918",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625918",NA,"C1=CC=C(C=C1)NC(=O)C(=NNC(=O)CC#N)C2C(=NN(C2=O)C3=CC=CC=C3)N","YIGZJIFLHVGTLS-KOEQRZSOSA-N",5464943,NA,"PDBC44443","625918","Present",NA,NA
+"44444","NSC625996",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625996",NA,"CC1=CC2=C(C=C1)OC3CC(C(C2(O3)C)O)N.Cl","UXUGCUANIGOZAN-UHFFFAOYSA-N",362337,NA,"PDBC44444","625996","Present",NA,NA
+"44445","NSC626015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626015",NA,"C1=CC(=O)C=CC1=CC=C2C=CN(C=C2)CCCCCCCCCCC(=O)NCCCCCCCCCCCC(=O)O.[K+]","PYZPAAKJTKYRIY-UHFFFAOYSA-N",54608925,NA,"PDBC44445","626015","Present",NA,NA
+"44446","NSC626093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626093",NA,"C1=CC=C(C=C1)C2=NN(C3C2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","SQGCRBFITJUIPX-PZJWPPBQSA-N",362349,NA,"PDBC44446","626093","Present",NA,NA
+"44447","NSC626103",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626103",NA,"CC1=C2C(=CC=C1)C(=C(N2)C)C3CC4=CC=CC=C4N3.Cl","RHOBDYIETGUJAR-UHFFFAOYSA-N",362358,NA,"PDBC44447","626103","Present",NA,NA
+"44448","NSC626114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626114",NA,"CC1=C2C(=CC=C1)CC(N2)C3=C(NC4=CC=CC=C43)C.Cl","GZUUFWCYADKVGX-UHFFFAOYSA-N",362369,NA,"PDBC44448","626114","Present",NA,NA
+"44449","NSC626115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626115",NA,"CC1=NC2=CC=CC=C2C1C(CC3=CC=CC=C3N)C4=C(NC5=CC=CC=C54)C.Cl","IHKILYGEXKKNSB-UHFFFAOYSA-N",362371,NA,"PDBC44449","626115","Present",NA,NA
+"44450","NSC626147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626147",NA,"COC1=C(C=C(C=C1)C2C(CC3=C(O2)C4=C(C=C3O)OC(C(C4C5=C(C=C(C=C5)O)O)O)C6=CC(=C(C=C6)O)O)O)O","SZFJUXKCFZRGQY-GKWSRHLOSA-N",362380,NA,"PDBC44450","626147","Present",NA,NA
+"44451","NSC626154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626154",NA,"CC1=CC(=C(C(=C1)C)[Se]C(=C(C(=O)OC)[Se]C2=C(C=C(C=C2C)C)C)C(=O)OC)C","CTXRTQSZWDHWMW-DQRAZIAOSA-N",5387720,NA,"PDBC44451","626154","Present",NA,NA
+"44452","NSC626178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626178",NA,"COC12CCC(=O)N1C=CC3=C2NC4=CC=CC=C34","RTFHEMDXAFYHIT-HNNXBMFYSA-N",362413,NA,"PDBC44452","626178","Present",NA,NA
+"44453","NSC626314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626314",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC(=O)C6=CC=CS6","OVWFAWRMPNWMEF-CAFPXWFDSA-N",362422,NA,"PDBC44453","626314","Present",NA,NA
+"44454","NSC626315",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626315",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NS(=O)(=O)C","MWFXNFJHEFQNFL-HHMQWJBCSA-N",362423,NA,"PDBC44454","626315","Present",NA,NA
+"44455","NSC626316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626316",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NCC(CO)O","LEKYLXNCQMVSSQ-MROLYBRHSA-N",362424,NA,"PDBC44455","626316","Present",NA,NA
+"44456","NSC626317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626317",NA,"COC1=CC(=CC(=C1OC)OC)CNC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)OC)OC","XHZSKDSLWRZSAI-CXEDQTEGSA-N",6711426,NA,"PDBC44456","626317","Present",NA,NA
+"44457","NSC626364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626364",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)N","WZTRSUUEQXXWCN-JITSLDRASA-N",362428,NA,"PDBC44457","626364","Present",NA,NA
+"44458","NSC626369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626369",NA,"CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)O","DDLLIYKVDWPHJI-UHFFFAOYSA-N",101109,NA,"PDBC44458","626369","Present",NA,NA
+"44459","NSC626387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626387",NA,"C1CCCCCC2C(CCCC1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","ZZOZTSABWCMERV-SGSKBCOPSA-N",362438,NA,"PDBC44459","626387","Present",NA,NA
+"44460","NSC626392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626392",NA,"CCCCN1C(=O)C2C3CCCCC3C4=C(C2C1=O)NC5=CC=CC=C54.CCCCN1C(=O)C2C3CCCCC3C4=C(C2C1=O)NC5=CC=CC=C54","KUJNOWPKGHADQW-SQGPRNPQSA-N",362443,NA,"PDBC44460","626392","Present",NA,NA
+"44461","NSC626394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626394",NA,"C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=CC=C6","YQDIZAHKTNEAGG-ZPZXEDMMSA-N",362447,NA,"PDBC44461","626394","Present",NA,NA
+"44462","NSC626438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626438",NA,"CC12C(C(=C(C1(C(C(=C2C(=O)OC(C)(C)C)OC)C(=O)OC(C)(C)C)C)C(=O)OC(C)(C)C)OC)C(=O)OC(C)(C)C","BBWYSQXFSAQHLP-UBCSFUFESA-N",362482,NA,"PDBC44462","626438","Present",NA,NA
+"44463","NSC626499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626499",NA,"CC(C)(C)OC(=O)NC1C(N(C1=O)CC2=CC=CC=C2)OC","LKHXUOQOKJBDHW-PUODRLBUSA-N",362489,NA,"PDBC44463","626499","Present",NA,NA
+"44464","NSC626531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626531",NA,"C1=CC(=C(C=C1C2=NC3=C(C=C(C=C3)Cl)C(=N2)C(=O)O)Cl)Cl.[Na+]","KHVBUAIDOBYJDS-UHFFFAOYSA-N",54608081,NA,"PDBC44464","626531","Present",NA,NA
+"44465","NSC626534",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626534",NA,"COC1=C(C=C(C=C1)CC23CCC(=O)N2CCC4=CC(=C(C=C34)O)OC)O","GWKQLHJGOTWSOD-NRFANRHFSA-N",362512,NA,"PDBC44465","626534","Present",NA,NA
+"44466","NSC626535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626535",NA,"COC1=C(C=C(C=C1)CC23CCC(=O)N2CCC4=CC(=C(C=C34)O)OC)OC","AJTRTRRZURYJBQ-QFIPXVFZSA-N",362513,NA,"PDBC44466","626535","Present",NA,NA
+"44467","NSC626541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626541",NA,"CCN(CCCNC1=C2C=C(C=CC2=NC3=CC=CC=C31)OC)CCCl.Cl","PJFAIZDZIBOSRU-UHFFFAOYSA-N",362519,NA,"PDBC44467","626541","Present",NA,NA
+"44468","NSC626544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626544",NA,"C1CO[SiH]2OCCN1CCO2","PZRZYNDNPQRQRN-UHFFFAOYSA-N",67509,NA,"PDBC44468","626544","Present",NA,NA
+"44469","NSC626623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626623",NA,"CC(=O)N1C(CSC1C2=CC=C(C=C2)F)C(=O)O","QRPAQKCEQIGTSY-QWRGUYRKSA-N",670838,NA,"PDBC44469","626623","Present",NA,NA
+"44470","NSC626624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626624",NA,"CC(=O)N1C(CSC1C2=CC=NC=C2)C(=O)O","PGNNUDBPLCZCCO-UWVGGRQHSA-N",6711432,NA,"PDBC44470","626624","Present",NA,NA
+"44471","NSC626659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626659",NA,"COC1=CC=C(C=C1)C2C(C(=O)N2C3=CC=C(C=C3)OC)Cl","MAKSLGJOEWEGAR-AAFJCEBUSA-N",362576,NA,"PDBC44471","626659","Present",NA,NA
+"44472","NSC626660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626660",NA,"CCN(C1C(N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=CC=C4","GCFVHYZHIZAETE-XZOQPEGZSA-N",362577,NA,"PDBC44472","626660","Present",NA,NA
+"44473","NSC626662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626662",NA,"CCOC(=O)N1CCC(=O)CC1CC=CP2(=O)N(C(C(O2)C3=CC=CC=C3)C)C(C)C","WRHCAISPSIPKAB-FEBVZIRBSA-N",11969826,NA,"PDBC44473","626662","Present",NA,NA
+"44474","NSC626674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626674",NA,"CCCC(C)OC1C2C(C(C3(C(O3)C(C(C1O)C)O)C)O)OC(=O)C2=C","GNBRHOPRGGHGSK-UGMSZZGASA-N",362585,NA,"PDBC44474","626674","Present",NA,NA
+"44475","NSC626675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626675",NA,"CC1CCC2C(C3(C1(C(CC3=O)O)O)C)OC(=O)C2=C","YAPWFHYBVVSYKK-YLQFPQMBSA-N",362586,NA,"PDBC44475","626675","Present",NA,NA
+"44476","NSC626676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626676",NA,"CC1CCC2C(C(=O)OC2C3(C1(C=CC3=O)O)C)CN(C)C","YMRQZAAIPRJGON-QUWBOTNGSA-N",362587,NA,"PDBC44476","626676","Present",NA,NA
+"44477","NSC626677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626677",NA,"CC1CCC2C(C(=O)OC2C3(C1(C(CC3=O)N4CCCCC4)O)C)CN5CCCCC5","OHHTTZSMJOEEAZ-QHSLKNLFSA-N",362588,NA,"PDBC44477","626677","Present",NA,NA
+"44478","NSC626678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626678",NA,"CC1=C2C=CC(=O)C2(C3C(CC1)C(=C)C(=O)O3)C","XSWAZIGOOCZRGU-KHXKVGHRSA-N",362589,NA,"PDBC44478","626678","Present",NA,NA
+"44479","NSC626679",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626679",NA,"CC1CCC2C(C3(C14C3CC(=O)O4)C)OC(=O)C2=C","XCWJSHURQAZVSN-UAFZAHEYSA-N",362590,NA,"PDBC44479","626679","Present",NA,NA
+"44480","NSC626775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626775",NA,"CC1CCC2C3(CCC(C(C3CCC2(C14CC5=C(O4)C(=CC(=C5OC(=O)C)OC(=O)C)C)C)(C)C)OC(=O)C)C","QYWYPTRFMCEXQU-ZHMYYJQCSA-N",362629,NA,"PDBC44480","626775","Present",NA,NA
+"44481","NSC626776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626776",NA,"CC1=CC(=CC2=C1OC3(CCC4C5(CCC(C(C5CCC4(C3C2)C)(C)C)OC(=O)C)C)C)O","XKVBAMSBWAVUFF-DWQKFTCOSA-N",362630,NA,"PDBC44481","626776","Present",NA,NA
+"44482","NSC626810",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626810",NA,NA,NA,NA,NA,"PDBC44482","626810","Present",NA,NA
+"44483","NSC626812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626812",NA,NA,NA,NA,NA,"PDBC44483","626812","Present",NA,NA
+"44484","NSC626813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626813",NA,NA,NA,NA,NA,"PDBC44484","626813","Present",NA,NA
+"44485","NSC626814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626814",NA,NA,NA,NA,NA,"PDBC44485","626814","Present",NA,NA
+"44486","NSC626815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626815",NA,NA,NA,NA,NA,"PDBC44486","626815","Present",NA,NA
+"44487","NSC626816",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626816",NA,NA,NA,NA,NA,"PDBC44487","626816","Present",NA,NA
+"44488","NSC626818",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626818",NA,NA,NA,NA,NA,"PDBC44488","626818","Present",NA,NA
+"44489","NSC626819",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626819",NA,NA,NA,NA,NA,"PDBC44489","626819","Present",NA,NA
+"44490","NSC626820",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626820",NA,NA,NA,NA,NA,"PDBC44490","626820","Present",NA,NA
+"44491","NSC626825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626825",NA,"COC1=C(C(=C(C=C1)C=NN=C(N)N)C(=O)O)OC.[N+](=O)(O)[O-]","SHRYGACGVRTIIX-OCSIRBNJSA-N",54608662,NA,"PDBC44491","626825","Present",NA,NA
+"44492","NSC626851",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626851",NA,"C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.[Zn+2]","XNDQREBZSAJDOR-UHFFFAOYSA-L",362642,NA,"PDBC44492","626851","Present",NA,NA
+"44493","NSC626856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626856",NA,"C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.[Cu+2]","CPGVCMZMQMQPGT-UHFFFAOYSA-L",362644,NA,"PDBC44493","626856","Present",NA,NA
+"44494","NSC626857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626857",NA,"C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.[Ni+2]","NFWHRFZGSQZQFL-UHFFFAOYSA-L",362645,NA,"PDBC44494","626857","Present",NA,NA
+"44495","NSC626858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626858",NA,"C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.C1=CC=C(C(=C1)C(=O)[O-])N=CC(=O)C2=CC=CS2.[Co+2]","FHRXOVGYWUBUAN-UHFFFAOYSA-L",362646,NA,"PDBC44495","626858","Present",NA,NA
+"44496","NSC626874",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626874",NA,"CN(C)CC1CCC(=CC2=CC=CC=C2OC)C1=O.Cl","FARKULNBEWZYTE-RSGUCCNWSA-N",5387758,NA,"PDBC44496","626874","Present",NA,NA
+"44497","NSC626933",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626933",NA,"C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)F","RDYJUVZFLCNBPH-CYBMUJFWSA-N",362694,NA,"PDBC44497","626933","Present",NA,NA
+"44498","NSC626935",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626935",NA,"C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","VMUUBYKWPNNGRO-CYBMUJFWSA-N",362696,NA,"PDBC44498","626935","Present",NA,NA
+"44499","NSC626936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626936",NA,"C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","VMUUBYKWPNNGRO-ZDUSSCGKSA-N",362697,NA,"PDBC44499","626936","Present",NA,NA
+"44500","NSC626937",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626937",NA,"C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2","UDTRIHNSADWKRA-QGZVFWFLSA-N",362698,NA,"PDBC44500","626937","Present",NA,NA
+"44501","NSC626938",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626938",NA,"C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2","UDTRIHNSADWKRA-KRWDZBQOSA-N",362699,NA,"PDBC44501","626938","Present",NA,NA
+"44502","NSC626953",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC626953",NA,"CC=CC(=O)C(C(C)C)O","PISGFDGTPRVQLD-ZJELKQJVSA-N",11969830,NA,"PDBC44502","626953","Present",NA,NA
+"44503","NSC627018",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627018",NA,"C1=CC=C(C=C1)C2C(N(C(=N2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4)C5=CC=CC=C5","PRBTUOYSWHEHNE-UIOOFZCWSA-N",6711437,NA,"PDBC44503","627018","Present",NA,NA
+"44504","NSC627021",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627021",NA,"C1C=CC2C1CN3CC4CC=CC4C5=C3C2=CC(=C5)C(=O)O","IMJRVLOUNFCYRI-CNFGXJBXSA-N",362761,NA,"PDBC44504","627021","Present",NA,NA
+"44505","NSC627122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627122",NA,"CCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N2C.[I-]","CVOLFIZKQKDSQF-UHFFFAOYSA-M",362807,NA,"PDBC44505","627122","Present",NA,NA
+"44506","NSC627170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627170",NA,"CC(C(C1=CC=CC=C1)N)NC.Cl","QDUCHQBWHJUASG-KXNXZCPBSA-N",11969835,NA,"PDBC44506","627170","Present",NA,NA
+"44507","NSC627171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627171",NA,"CC(C(C1=CC=CC=C1)N)NC.C(C(C(=O)O)O)(C(=O)O)O","ONJYEUGVOBVYGD-GNAZCLTHSA-N",6711443,NA,"PDBC44507","627171","Present",NA,NA
+"44508","NSC627172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627172",NA,"CC(C(C1=CC=CC=C1)NC)NC.Cl","CCEJDCZZAVKMMA-QLSWKGBWSA-N",11969836,NA,"PDBC44508","627172","Present",NA,NA
+"44509","NSC627173",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627173",NA,"CC(C(C1=CC=CC=C1)NC)NC.Cl","CCEJDCZZAVKMMA-ROLPUNSJSA-N",11969837,NA,"PDBC44509","627173","Present",NA,NA
+"44510","NSC627181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627181",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C3=NN=C(C3=CC4=CC=CC=C4)N=NC5=C(C=CC=C5O)O","ROXLNVPCACNANI-SMGUQIAASA-N",135510089,NA,"PDBC44510","627181","Present",NA,NA
+"44511","NSC627212",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627212",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(=O)O","LIZVXGBYTGTTTI-AWEZNQCLSA-N",362840,NA,"PDBC44511","627212","Present",NA,NA
+"44512","NSC627213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627213",NA,"C1=CC=C(C=C1)C(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)F","IOEALHKIPHQKEL-LJQANCHMSA-N",362841,NA,"PDBC44512","627213","Present",NA,NA
+"44513","NSC627218",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627218",NA,"CC(=NNC(=S)N)C1=CC=C(C=C1)C(=NNC(=S)N)C","IFFLYNGBOLZAGJ-BGPOSVGRSA-N",5464947,NA,"PDBC44513","627218","Present",NA,NA
+"44514","NSC627257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627257",NA,"C1COCCN1C2=C(N=NN2C3=CC=C(C=C3)[N+](=O)[O-])CC4(C(C(=C(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","UFQMKVBMEPWSDP-PYLAIEKPSA-N",362853,NA,"PDBC44514","627257","Present",NA,NA
+"44515","NSC627318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627318",NA,"CCOC(=O)C1=C(OC=N1)C2COC(O2)(C)C","LWAPQPQCQMNUHB-SSDOTTSWSA-N",6711450,NA,"PDBC44515","627318","Present",NA,NA
+"44516","NSC627319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627319",NA,"CCC12CCCC13C=CC(O3)C(C2=O)(C)C","NRZCFVLKRLYNNH-WOPFXOFLSA-N",362874,NA,"PDBC44516","627319","Present",NA,NA
+"44517","NSC627322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627322",NA,NA,NA,NA,NA,"PDBC44517","627322","Present",NA,NA
+"44518","NSC627375",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627375",NA,"CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=C(C=C2)[N+](C)(C)C.COS(=O)(=O)[O-]","IAXVPRPONOUKGV-UHFFFAOYSA-N",10766607,NA,"PDBC44518","627375","Present",NA,NA
+"44519","NSC627397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627397",NA,"CN1C=C(C2=CC=CC=C21)C(=O)C(=C(C(=O)O)Cl)Cl","DWFOLCNMMIPOQT-ZHACJKMWSA-N",3001919,NA,"PDBC44519","627397","Present",NA,NA
+"44520","NSC627398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627398",NA,"CC1=C(C2=CC=CC=C2N1)CCC(=NNC3=CC=CC=C3)C4=CC=CC=C4","FDTIXVAECFPTGE-SLEBQGDGSA-N",5464952,NA,"PDBC44520","627398","Present",NA,NA
+"44521","NSC627409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627409",NA,"CCNC1C2(CCCCC2)C(=O)NC13CCCCC3","FIVJYMCKWGPQTN-UHFFFAOYSA-N",362933,NA,"PDBC44521","627409","Present",NA,NA
+"44522","NSC627447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627447",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)CCN2CCN(CC2)C(=O)CCCCCCCCCCNC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)CO)O)O","SRFMWVMOIXLPID-UHFFFAOYSA-N",362956,NA,"PDBC44522","627447","Present",NA,NA
+"44523","NSC627461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627461",NA,NA,NA,NA,NA,"PDBC44523","627461","Present",NA,NA
+"44524","NSC627462",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627462",NA,NA,NA,NA,NA,"PDBC44524","627462","Present",NA,NA
+"44525","NSC627474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627474",NA,NA,NA,NA,NA,"PDBC44525","627474","Present",NA,NA
+"44526","NSC627506",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627506",NA,"CC1=CC2C(CC1)C(C3=C2C4=CC=CC=C4N3)C5=CNC6=CC=CC=C65","JJBFCBBFYLXEGZ-OATREDKOSA-N",362974,NA,"PDBC44526","627506","Present",NA,NA
+"44527","NSC627510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627510",NA,"COC1CC2C(CC1O)CC3=C4C2=NC=CC4=CC(=C3OC)OC.Cl","KBHDZLKVEGKQBL-UHFFFAOYSA-N",362978,NA,"PDBC44527","627510","Present",NA,NA
+"44528","NSC627514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627514",NA,"CC1=CC2=[N+](C=CC3=CC(=C(C=C32)OC)OC)C4=CC(=C(C=C14)OC)OC.[Cl-]","PQCILJDFQXWZSP-UHFFFAOYSA-M",362984,NA,"PDBC44528","627514","Present",NA,NA
+"44529","NSC627515",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627515",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2CN3CCC4=CC=CC=C43)Br)OC.Cl","VGKMNQCGQFTKAD-UHFFFAOYSA-N",362986,NA,"PDBC44529","627515","Present",NA,NA
+"44530","NSC627526",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627526",NA,"CCOC1=C(C=C(C=C1)C=C2C(=NC(=NC2=O)N)N)OCC","KLFYCKLRTAKFOE-JXMROGBWSA-N",5387799,NA,"PDBC44530","627526","Present",NA,NA
+"44531","NSC627547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627547",NA,"C1CC(N(C1)C(=O)C2=CC=C(C=C2)C(C#N)C#N)CO","YFVRTGMZQAZDTA-AWEZNQCLSA-N",363008,NA,"PDBC44531","627547","Present",NA,NA
+"44532","NSC627549",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627549",NA,"COC1=C(C=C2C(=C1)COC(=O)C2=CC3=CC=CC=C3N)OC","NFKJEGSFERZUAD-VGOFMYFVSA-N",5387801,NA,"PDBC44532","627549","Present",NA,NA
+"44533","NSC627553",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627553",NA,"C1=CC=C(C=C1)C2C3=C(SC(=C3C(S2(=O)=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","LYCCTLPTCSTPFD-RNPORBBMSA-N",6711453,NA,"PDBC44533","627553","Present",NA,NA
+"44534","NSC627554",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627554",NA,"C1=CC=C(C=C1)C2C3=C(SC(=C3C(S2=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","ILQBEKAZAUJVSO-XYKNMAAKSA-N",6711454,NA,"PDBC44534","627554","Present",NA,NA
+"44535","NSC627636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627636",NA,"CC(=O)OC1C=CCC(=C2C1(C(=O)CC2)C)C(=O)OC","GNCMERYPUNFKLK-WUJWULDRSA-N",363075,NA,"PDBC44535","627636","Present",NA,NA
+"44536","NSC627642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627642",NA,NA,NA,NA,NA,"PDBC44536","627642","Present",NA,NA
+"44537","NSC627649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627649",NA,"COC1=C(C(=C(C=C1)C(C2=NC=CC3=CC(=C(C=C32)OC)OC)OC(=O)C4=CC=CC=C4)OC)OC","XEEHTFAGYISFAM-VWLOTQADSA-N",6711455,NA,"PDBC44537","627649","Present",NA,NA
+"44538","NSC627673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627673",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C4=C3C2CC4=NOS(=O)(=O)C5=CC=C(C=C5)C)OC)OC","RBNCQGFMMWCRDI-XAYXJRQQSA-N",5464954,NA,"PDBC44538","627673","Present",NA,NA
+"44539","NSC627683",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627683",NA,"COC1=CC(=C(C=C1)Br)NN=C2CCCNC2=O","IKADOQVFXLZHOR-XNTDXEJSSA-N",5464955,NA,"PDBC44539","627683","Present",NA,NA
+"44540","NSC627689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627689",NA,"C1CC2=C(C(=NO)C1)C(=CC(=O)N2)CC(=O)O","RLZWQMRWZTZRHF-MDWZMJQESA-N",135510091,NA,"PDBC44540","627689","Present",NA,NA
+"44541","NSC627697",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627697",NA,"CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCN)OC(=O)CCCN.C(=O)(C(F)(F)F)O","HFBRTHBMFOYPDL-UHFFFAOYSA-N",363131,NA,"PDBC44541","627697","Present",NA,NA
+"44542","NSC627741",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627741",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C=NNS(=O)(=O)C4=CC=C(C=C4)Cl.COS(=O)(=O)[O-]","QGXXGVHPPOPAFQ-UHFFFAOYSA-N",24202097,NA,"PDBC44542","627741","Present",NA,NA
+"44543","NSC627742",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627742",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C=NNS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O.COS(=O)(=O)[O-]","NVGRPHMLWIAWNB-UHFFFAOYSA-N",24202098,NA,"PDBC44543","627742","Present",NA,NA
+"44544","NSC627743",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627743",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=CC2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C.COS(=O)(=O)[O-]","XOTGQFIVRAPDER-UHFFFAOYSA-N",24202099,NA,"PDBC44544","627743","Present",NA,NA
+"44545","NSC627744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627744",NA,"C[N+]1=C2C=CC=C(C2=CC3=CC=CC=C31)CNC(CCCN=C(N)N)C(=O)O.COS(=O)(=O)[O-]","BFTUICNMAOUWLQ-UHFFFAOYSA-N",24202100,NA,"PDBC44545","627744","Present",NA,NA
+"44546","NSC627745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627745",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC(CCC(=O)N)C(=O)O.COS(=O)(=O)[O-]","AAACELIWZNGDOY-UHFFFAOYSA-N",24202101,NA,"PDBC44546","627745","Present",NA,NA
+"44547","NSC627746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627746",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC(CS)C(=O)O.COS(=O)(=O)[O-]","BQNUDAFZHCJMBF-UHFFFAOYSA-N",24202102,NA,"PDBC44547","627746","Present",NA,NA
+"44548","NSC627747",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627747",NA,"CC(C)C(C(=O)O)NCC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.COS(=O)(=O)[O-]","VDUJWAWYHLSCBW-UHFFFAOYSA-N",24202103,NA,"PDBC44548","627747","Present",NA,NA
+"44549","NSC627748",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627748",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNCC(=O)O.COS(=O)(=O)[O-]","VPWPLWSGRHQIPK-UHFFFAOYSA-N",24202104,NA,"PDBC44549","627748","Present",NA,NA
+"44550","NSC627749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627749",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)CNC4=CC=C(C=C4)S(=O)(=O)N=C(N)N.COS(=O)(=O)[O-]","YLBLQRVXOLBFCU-UHFFFAOYSA-M",24202105,NA,"PDBC44550","627749","Present",NA,NA
+"44551","NSC627783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627783",NA,"CC1(C2C3CCCC3C2C(=O)C=C1OC)C(=O)OC","SHZJQHXFQWSACD-QSEDKNRKSA-N",6711461,NA,"PDBC44551","627783","Present",NA,NA
+"44552","NSC627785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627785",NA,"CC1(CCCC(C1)(C)C2=C(C3=C(COC3=O)C=C2)CC(=O)OC)C","STOHZNYQWIBESP-FQEVSTJZSA-N",363181,NA,"PDBC44552","627785","Present",NA,NA
+"44553","NSC627786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627786",NA,"CC1=CC(=CC2=C1OC3(CCC4C5(CCC(C(C5CCC4(C3C2)C)(C)C)O)C)C)O","LRMHPGVONLYGQD-GKKJDNLLSA-N",363182,NA,"PDBC44553","627786","Present",NA,NA
+"44554","NSC627877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627877",NA,"CCOC(=O)C1C2(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C(N(C4=CC=CC=C24)C(=O)C)C(=CC(=O)OC)C=CC(=O)OC","WBODFZWALHWKTH-IJBSNVCRSA-N",5387834,NA,"PDBC44554","627877","Present",NA,NA
+"44555","NSC627878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627878",NA,"COC1=C(C2=C3C(CCN2)NCCC3=C1)OCC4=CC=CC=C4.Cl","GLAQTUWLCGOIOO-UHFFFAOYSA-N",363203,NA,"PDBC44555","627878","Present",NA,NA
+"44556","NSC627884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627884",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NC(CCCN=C(N)N)C(=O)O.COS(=O)(=O)[O-]","UDFUACSJYPHQNZ-UHFFFAOYSA-N",24202109,NA,"PDBC44556","627884","Present",NA,NA
+"44557","NSC627885",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627885",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NC(CCC(=O)N)C(=O)O.COS(=O)(=O)[O-]","ZAKUWDVKTNODEI-UHFFFAOYSA-N",24202110,NA,"PDBC44557","627885","Present",NA,NA
+"44558","NSC627886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627886",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NC(CS)C(=O)O.COS(=O)(=O)[O-]","LHZIMORRXVNRKB-UHFFFAOYSA-N",24202111,NA,"PDBC44558","627886","Present",NA,NA
+"44559","NSC627887",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627887",NA,"CC(C)C(C(=O)O)NC1=C2C=CC=CC2=[N+](C3=CC=CC=C31)C.COS(=O)(=O)[O-]","DWDOFYBJWVMFBY-UHFFFAOYSA-N",24202112,NA,"PDBC44559","627887","Present",NA,NA
+"44560","NSC627888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627888",NA,"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)NCC(=O)O.COS(=O)(=O)[O-]","LDRAGONGEXOUCW-UHFFFAOYSA-N",24202113,NA,"PDBC44560","627888","Present",NA,NA
+"44561","NSC627952",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627952",NA,"COC(=O)CCC12CCC(=O)C1C(CC2C(=O)OC)C(=O)OC","FXLJMFHFCHQBOQ-PZXOYROASA-N",363217,NA,"PDBC44561","627952","Present",NA,NA
+"44562","NSC628002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628002",NA,"C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3S4(=O)=O","UPTXECXZLCKHIL-PJPHBNEVSA-N",363254,NA,"PDBC44562","628002","Present",NA,NA
+"44563","NSC628004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628004",NA,"C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4C5=CC=CC=C5C3S4","WXWVOJOULGDMST-PJPHBNEVSA-N",363255,NA,"PDBC44563","628004","Present",NA,NA
+"44564","NSC628081",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628081",NA,"C1=C(C(=O)NC(=O)N1C(=O)NCCCCCCNC(=O)NCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCNC(=O)C(C(C(C(CO)O)O)O)O)F","UVJLYUIXFSHKCE-UHFFFAOYSA-N",363286,NA,"PDBC44564","628081","Present",NA,NA
+"44565","NSC628082",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628082",NA,"C1=C(C(=O)NC(=O)N1C(=O)NCCCCCCNC(=O)NCCCOCCOCCCNC(=O)C(C(C(C(CO)O)O)O)O)F","OQWLQKUFWVLBAZ-UHFFFAOYSA-N",438243,NA,"PDBC44565","628082","Present",NA,NA
+"44566","NSC628119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628119",NA,"CN1CCC2=CC(=C(C3=C2C1C(C4=CC=CC=C43)C(C5=CC=CC=C5)O)OC)OC.Cl","RSHHAIFLGRELGN-UHFFFAOYSA-N",363299,NA,"PDBC44566","628119","Present",NA,NA
+"44567","NSC628120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628120",NA,"CCC1CC(=O)C2=C(C1(C#N)C(=O)OC(C)(C)C)C=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O","ZSVSUEBJHBHELI-NRRJATNASA-N",6711462,NA,"PDBC44567","628120","Present",NA,NA
+"44568","NSC628188",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628188",NA,"CC1=C(C2=CC=CC=C2N1C)CCC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C4=CC=CC=C4","SLLUMHGCNASMKN-XTCLZLMSSA-N",5464970,NA,"PDBC44568","628188","Present",NA,NA
+"44569","NSC628193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628193",NA,"CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)C#CC5=CC=C(C=C5)[N+](=O)[O-].Cl","GMWWTWAFKCEFHX-UHFFFAOYSA-N",363336,NA,"PDBC44569","628193","Present",NA,NA
+"44570","NSC628194",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628194",NA,"C1CCC2(CC1)C3CCCCC3NC2=O","BCCUWGUVYFRVJW-WDEREUQCSA-N",363338,NA,"PDBC44570","628194","Present",NA,NA
+"44571","NSC628195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628195",NA,"C1CCC2(CC1)C3=C(C(=NO)CCCC3)NC2=O","BAMMPARCPLJOMP-LFIBNONCSA-N",5494328,NA,"PDBC44571","628195","Present",NA,NA
+"44572","NSC628205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628205",NA,"C1CCCC2(CC1)C3=C(C(=NO)CCCCC3)NC2=O","VEGAYTZDWYFZMQ-QGOAFFKASA-N",5494329,NA,"PDBC44572","628205","Present",NA,NA
+"44573","NSC628235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628235",NA,"C1CN(CCN1CCC2=CC=C(C=C2)N)C3=CC=CC(=C3)C(F)(F)F.Cl","CZJLKOAHUHLONK-UHFFFAOYSA-N",363352,NA,"PDBC44573","628235","Present",NA,NA
+"44574","NSC628240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628240",NA,"CN(C)CC[N+](=C(C1=CC=CC=C1)C23CC4CC(C2)CC(C4)C3)[O-]","QRGIEPPIPNRNHB-BSYVCWPDSA-N",5387843,NA,"PDBC44574","628240","Present",NA,NA
+"44575","NSC628243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628243",NA,"CC1(C2=C(C(=C(C(=C2)C(=O)OC)C(=O)OC)N)C(=N)N1C3=CC=CC=C3)C(=CC(=O)OC)C(=O)OC","GKDZAAVJGVVKFV-IHPQIPKLSA-N",5387844,NA,"PDBC44575","628243","Present",NA,NA
+"44576","NSC628245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628245",NA,"CC12CCN(C3C1(C(CCC3)CC4=C2C=CC(=C4)O)C)C","JOMWFIDLECFQFC-UQQIVXHISA-N",363362,NA,"PDBC44576","628245","Present",NA,NA
+"44577","NSC628246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628246",NA,"CC12CCN(C3C1(C(CCC3)CC4=C2C(=CC=C4)O)C)C","MSJWJAZPACSQKQ-IZZFFNQQSA-N",363363,NA,"PDBC44577","628246","Present",NA,NA
+"44578","NSC628247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628247",NA,"CC12CCN(C3C1(C(CCC3)CC4=C2C=C(C=C4)O)C)C","WNQXOYACRBTJQJ-UQQIVXHISA-N",363364,NA,"PDBC44578","628247","Present",NA,NA
+"44579","NSC628250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628250",NA,"CC1CCC2(C3(C1=CC(=O)C(C3)O)C)OCCO2","DWUNNTIVEWUSSB-UTVJUBTNSA-N",363368,NA,"PDBC44579","628250","Present",NA,NA
+"44580","NSC628254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628254",NA,"CCOC(=O)C1=C2CCCC(C2(CC1)C)(C=C)O","ROQXCBMRMDDVQT-HUUCEWRRSA-N",6711463,NA,"PDBC44580","628254","Present",NA,NA
+"44581","NSC628258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628258",NA,"CC12CC(=O)C=C1CCCC2(C#C)O","YMNCCOPMPMENQR-VXGBXAGGSA-N",6711464,NA,"PDBC44581","628258","Present",NA,NA
+"44582","NSC628259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628259",NA,"CC12CCC(=O)C=C1CCCC2(C#C)O","OZFDSMFYURTKRO-STQMWFEESA-N",6711465,NA,"PDBC44582","628259","Present",NA,NA
+"44583","NSC628263",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628263",NA,"CC12CCC3C(C1CCC2=O)CC4C5=CC(=O)CCC35C(=O)O4","DTEPGDXMBNRPHO-PGKOTXMBSA-N",363381,NA,"PDBC44583","628263","Present",NA,NA
+"44584","NSC628264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628264",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C4CC45C3(CCC=C5)C)O)C","AMWKOQHWMJUWOA-NBJPPITASA-N",363382,NA,"PDBC44584","628264","Present",NA,NA
+"44585","NSC628266",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628266",NA,"CC12CCC(=O)C(=C1CCC2=O)O","FTGPWWMNIMWCRA-JTQLQIEISA-N",363384,NA,"PDBC44585","628266","Present",NA,NA
+"44586","NSC628267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628267",NA,"CC12CCC(=O)C(=C1CCC2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]","SAYQQKWFZREFGC-KRWDZBQOSA-N",363385,NA,"PDBC44586","628267","Present",NA,NA
+"44587","NSC628268",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628268",NA,"CC1=C2CCC3(C(CC=C3C2(CCC1=O)C)O)C","CECRYSXEWPEPGN-GPANFISMSA-N",363386,NA,"PDBC44587","628268","Present",NA,NA
+"44588","NSC628302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628302",NA,"CCOC(=O)N1CCC2=CC(=C(C=C2C1=CC3=CC(=C(C=C3)OC)OC)OC)OC","HQORGKLZZSXVIA-WQRHYEAKSA-N",5387847,NA,"PDBC44588","628302","Present",NA,NA
+"44589","NSC628304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628304",NA,"C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NC34CC5CCC3CC(C5)C4","ACXLLVZRHDPMEY-QSVDNLTKSA-N",6711466,NA,"PDBC44589","628304","Present",NA,NA
+"44590","NSC628412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628412",NA,"C1C(C(C(C(O1)(CNN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)O)O)O)O.C(=O)(C(=O)O)O","FNKRRRJUENGGAS-UHFFFAOYSA-N",363488,NA,"PDBC44590","628412","Present",NA,NA
+"44591","NSC628413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628413",NA,"C1C(C(C(C(O1)(CNN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4Cl)O)O)O)O.C(=O)(C(=O)O)O","XYOIMXCMDPFZOL-UHFFFAOYSA-N",363490,NA,"PDBC44591","628413","Present",NA,NA
+"44592","NSC628414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628414",NA,"C1C(C(C(C(O1)(CNN2C(=NC3=CC=CC=C3C2=O)C4=CC(=CC=C4)Cl)O)O)O)O.C(=O)(C(=O)O)O","VSZAQWONRYGJSB-UHFFFAOYSA-N",363492,NA,"PDBC44592","628414","Present",NA,NA
+"44593","NSC628415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628415",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC4(C(C(C(CO4)O)O)O)O.C(=O)(C(=O)O)O","BDCNBHYLOMRVQT-UHFFFAOYSA-N",363494,NA,"PDBC44593","628415","Present",NA,NA
+"44594","NSC628416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628416",NA,"C1C(C(C(C(O1)(CNN2C(=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4)O)O)O)O.C(=O)(C(=O)O)O","BOJKTEHHWFZTIS-UHFFFAOYSA-N",363496,NA,"PDBC44594","628416","Present",NA,NA
+"44595","NSC628417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628417",NA,"C1C(C(C(C(O1)(CNN2C(=NC3=C(C2=O)C=C(C=C3)Br)C4=CC=CC=C4Cl)O)O)O)O.C(=O)(C(=O)O)O","PWSMEVDPLHFAMY-UHFFFAOYSA-N",363498,NA,"PDBC44595","628417","Present",NA,NA
+"44596","NSC628437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628437",NA,"CC(=O)OC1C=CC23C4CCC5(CC4(CC5=O)C(C2C1(C(=O)O3)C)C(=O)O)CO","UUTJMLLFYZLDSW-FLVARPFASA-N",6711467,NA,"PDBC44596","628437","Present",NA,NA
+"44597","NSC628438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628438",NA,"CCOC(=O)NC1C2CC(=O)C(C1OC)O2","IRWGJTXPSLHVCV-SRKTWWLUSA-N",363505,NA,"PDBC44597","628438","Present",NA,NA
+"44598","NSC628440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628440",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C4C5=CC=CC=C5NC4=C6C(=C3C2=O)C7=CC=CC=C7N6","BOWKECNQMUSQGN-UHFFFAOYSA-N",5387854,NA,"PDBC44598","628440","Present",NA,NA
+"44599","NSC628441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628441",NA,"CCN(CC)CCCNC1=NC=CC2=C(C3=C(C=C21)C4=C(N3C)C=CN=C4)C.C(=CC(=O)O)C(=O)O","YOCJURSAXXSETH-BTJKTKAUSA-N",5387855,NA,"PDBC44599","628441","Present",NA,NA
+"44600","NSC628444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628444",NA,"C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C(=CC3=CC=C(C=C3)F)NC2=O","XFRSTFFUQQIQMO-GDNBJRDFSA-N",5387856,NA,"PDBC44600","628444","Present",NA,NA
+"44601","NSC628528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628528",NA,"C1=CC=C(C=C1)C2=CC(=C(C(=O)O)O)C3=CC=CC=C32","BBZJCILULATKFU-FOCLMDBBSA-N",5387858,NA,"PDBC44601","628528","Present",NA,NA
+"44602","NSC628630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628630",NA,"CSC(=C(C1=CC=CC=C1)S)C2=CC=CC=C2","XMPSARMVOPXBCD-PFONDFGASA-N",5387862,NA,"PDBC44602","628630","Present",NA,NA
+"44603","NSC628659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628659",NA,"CC1CCC23CCC4(C5(CCC6C(C(=O)CCC6(C5C=CC4(C2C1C)OC3=O)C)(C)C)C)C","SHDSXTLKCOGMKJ-OTAHORTLSA-N",363630,NA,"PDBC44603","628659","Present",NA,NA
+"44604","NSC628672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628672",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)[N+](=O)[O-]","DLROLUIVVKTFPW-PUEOPUMLSA-N",363643,NA,"PDBC44604","628672","Present",NA,NA
+"44605","NSC628674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628674",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC7=C(C=C6)OCCO7","UJDWLKBEKWSXBS-SCWZWCFPSA-N",363645,NA,"PDBC44605","628674","Present",NA,NA
+"44606","NSC628678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628678",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC(=CC=C6)O","YBIPRFWIJQFYKB-PUEOPUMLSA-N",363650,NA,"PDBC44606","628678","Present",NA,NA
+"44607","NSC628723",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628723",NA,"COC1=NC2=C(C(=O)N1)N=C(N2C3C(C(C(C(O3)CO)O)O)O)N","XEVQFEHJYUJYFP-UHFFFAOYSA-N",135498453,NA,"PDBC44607","628723","Present",NA,NA
+"44608","NSC628726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628726",NA,"CSC1=NC2=C(C(=O)N1)N=C(N2C3C(C(C(C(O3)CO)O)O)O)N","ZQRNZCAZNTVNPW-UHFFFAOYSA-N",135500419,NA,"PDBC44608","628726","Present",NA,NA
+"44609","NSC628805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628805",NA,"CCN(CC)CC.C1=CC=C2C(=C1)C(=O)C(C2=O)(C3(C4=CC=CC=C4C5=CC=CC=C53)S(=O)(=O)O)Cl","CJPQMLPESGHNSE-UHFFFAOYSA-N",363688,NA,"PDBC44609","628805","Present",NA,NA
+"44610","NSC628864",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628864",NA,"C1CC(=O)OC(C1S(=O)(=O)C2=CC=CC=C2)C=CC3=CC=CC=C3","NNEURMOBBDOWNZ-AAIOHFERSA-N",50990860,NA,"PDBC44610","628864","Present",NA,NA
+"44611","NSC628906",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628906",NA,"CCN(CC)CCNC1=[N+](C2=CC=CC=C2[N+](=N1)[O-])[O-].C(=O)(C(F)(F)F)O","VXFSBORNSIGNLO-UHFFFAOYSA-N",135510092,NA,"PDBC44611","628906","Present",NA,NA
+"44612","NSC628911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628911",NA,"CCN(CC)CCNC1=[N+](C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-])[O-].C(=O)(C(F)(F)F)O","CPLOGJDIXDDAJV-UHFFFAOYSA-N",135510093,NA,"PDBC44612","628911","Present",NA,NA
+"44613","NSC628915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628915",NA,"CCN(CC)CCNC1=[N+](C2=CC=CC=C2[N+](=N1)[O-])[O-]","SABMRSZLBCPTEB-UHFFFAOYSA-N",135503433,NA,"PDBC44613","628915","Present",NA,NA
+"44614","NSC628918",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628918",NA,"CCN(CC)CCNC1=[N+](C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=N1)[O-])[O-].Cl","XESIUBQYNOEKJA-UHFFFAOYSA-N",135488943,NA,"PDBC44614","628918","Present",NA,NA
+"44615","NSC628929",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628929",NA,"C1CC(=O)OC(C1S(=O)(=O)C2=CC=CC=C2)C=CC3=CC=CC=C3","NNEURMOBBDOWNZ-LLSOJIOMSA-N",50990859,NA,"PDBC44615","628929","Present",NA,NA
+"44616","NSC628973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628973",NA,"CC(=O)C1=CC=C2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C)C)C","QLMXZKMIBONXSF-SRTDZIGRSA-N",363766,NA,"PDBC44616","628973","Present",NA,NA
+"44617","NSC628974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628974",NA,"CC1C2C(CC3(C(=O)CCC(=C3C2OC1=O)C)C)O","BRHPJALTKULBGH-MCCMGZSASA-N",363767,NA,"PDBC44617","628974","Present",NA,NA
+"44618","NSC628980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628980",NA,"CC12CCC(C1CC=C(C(=C(C2)O)C(=O)OC)C(=O)OC)C(=O)OC","DUFOOXBFUWJHHD-HIQHKGCKSA-N",54679370,NA,"PDBC44618","628980","Present",NA,NA
+"44619","NSC628996",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC628996",NA,"CC1CC(=O)C2CCCC1C2=O","HQDGBVACMJUNOJ-JECWYVHBSA-N",363783,NA,"PDBC44619","628996","Present",NA,NA
+"44620","NSC629003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629003",NA,"CC12CC=C(C(=O)C1(CCC2=O)CC=C)O","UAVGNMLSIHMHLQ-PZORYLMUSA-N",363789,NA,"PDBC44620","629003","Present",NA,NA
+"44621","NSC629005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629005",NA,"CC12CCC(=O)C(=C1CCC2O)OCC=C","ZRKHWASNCRZRPX-AAEUAGOBSA-N",363791,NA,"PDBC44621","629005","Present",NA,NA
+"44622","NSC629009",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629009",NA,"C1=CC2C(C(C1O2)CO)CO","MOBDXLOZNRUIIF-MBNAKOSBSA-N",363795,NA,"PDBC44622","629009","Present",NA,NA
+"44623","NSC629031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629031",NA,"CC1=NC(=CC2=C(C(=C(C=C2)OC(=O)C)OC)[N+](=O)[O-])C(=O)O1","OXXRXOCLIYERKC-POHAHGRESA-N",5387872,NA,"PDBC44623","629031","Present",NA,NA
+"44624","NSC629157",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629157",NA,"CCCC(C(C1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=CC=C3)OC)O)O)O","RGMLURGTVBEYSI-UWBLVGDVSA-N",363867,NA,"PDBC44624","629157","Present",NA,NA
+"44625","NSC629375",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629375",NA,"C1CN2CCN3[P+]24N1CCN4CC3","WGGFVARKIMKOAC-UHFFFAOYSA-N",498424,NA,"PDBC44625","629375","Present",NA,NA
+"44626","NSC629378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629378",NA,"CC1C(=O)OC(N1[N+](=O)[O-])(C)OC(=O)C","SVZACBVZCVTTJR-CLZZGJSISA-N",6711505,NA,"PDBC44626","629378","Present",NA,NA
+"44627","NSC629379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629379",NA,"CC(C)CC1C(=O)OC(N1[N+](=O)[O-])(C)OC(=O)C","YRLRGYRAMRQBDB-PSASIEDQSA-N",6711506,NA,"PDBC44627","629379","Present",NA,NA
+"44628","NSC629412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629412",NA,"CCOC(=O)C(C1=C(OC(=O)C=C1OC)C=[N+](C2=CC=C(C=C2)N(C)C)[O-])SC3=CC=CC=C3","WNFOARRUVJYNQY-JVWAILMASA-N",6393655,NA,"PDBC44628","629412","Present",NA,NA
+"44629","NSC629416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629416",NA,"COC(=O)C1CC2=C(C(N1)C3=CC=CC=C3)NC4=CC=CC=C24","PKHHJECXXHOADW-IRXDYDNUSA-N",363928,NA,"PDBC44629","629416","Present",NA,NA
+"44630","NSC629419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629419",NA,"CCC1C2=C(CC(N1)C(=O)OC)C3=CC=CC=C3N2","ADIHMVQHJFGVMN-AMGKYWFPSA-N",363931,NA,"PDBC44630","629419","Present",NA,NA
+"44631","NSC629479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629479",NA,"CC1=NNC(=NCCN(C)C)CC1=CC2=CC=CC=C2Cl","PWKXWVGATQBBOH-UVTDQMKNSA-N",135510095,NA,"PDBC44631","629479","Present",NA,NA
+"44632","NSC629489",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629489",NA,"CCC12CCC(N3C1C4=C(CC3)C5=CC=CC=C5N4C(=O)C2)C#N","WBBLPNXLHOEVPV-JYMLRBTQSA-N",6711509,NA,"PDBC44632","629489","Present",NA,NA
+"44633","NSC629565",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629565",NA,"CN(C)C=CC(=CC=[N+](C)C)C=CN(C)C.[O-]Cl(=O)(=O)=O","SMGIFFXIOBXMOT-UHFFFAOYSA-M",24202117,NA,"PDBC44633","629565","Present",NA,NA
+"44634","NSC629567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629567",NA,"CC1=NN(C(=O)CC1=CC2=CC=CC=C2)CCNC(=O)NC","ZBIWPQRARHHMME-UVTDQMKNSA-N",20835624,NA,"PDBC44634","629567","Present",NA,NA
+"44635","NSC629590",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629590",NA,"CC(C)(C1CC2CC34C1(C=C2)C(CC5=C3C(=C(C=C5)OC)OC6=CC=CC=C6)N(CC4)C)O","LTMOELTXRZRCBF-PUAUNUHMSA-N",363970,NA,"PDBC44635","629590","Present",NA,NA
+"44636","NSC629604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629604",NA,"CCC(C)N(CCN)C(=O)C1=CC2=CC=CC=C2C(=N1)C3=CC=CC=C3Cl.Cl","MBUHQMIQNIYWOI-RSAXXLAASA-N",363985,NA,"PDBC44636","629604","Present",NA,NA
+"44637","NSC629605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629605",NA,"CC1=CCCC2(C(CCC2C(C)C=CC(C)C)C3=C(C=C(CC(CC1)O)C=C3)C(=O)O)C","BYSDVQRGPLYEPF-JDLUIFQNSA-N",54608116,NA,"PDBC44637","629605","Present",NA,NA
+"44638","NSC629606",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629606",NA,"CC1=CCCC2(C(CCC2C(C)C=CC(C)C)C3=C(C=C(CC(CC1)OC(=O)C)C=C3)C(=O)O)C","ICJKVLYHBMCCNR-KIPXGGMVSA-N",11969860,NA,"PDBC44638","629606","Present",NA,NA
+"44639","NSC629622",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629622",NA,"CCN1C2=CC=CC=C2C3=[N+](C4=CC=CC=C4C5=C3C1=CC(=C5)C)CC.[I-]","OMKXWSOWHPKTJX-UHFFFAOYSA-M",364000,NA,"PDBC44639","629622","Present",NA,NA
+"44640","NSC629628",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629628",NA,"CC1=CC=C(C=C1)S(=O)(=O)ON=C2CCCC2=CC3=CC=CC=C3","VHBRMOOAPJMGDU-QQHRXTFHSA-N",5928551,NA,"PDBC44640","629628","Present",NA,NA
+"44641","NSC629629",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629629",NA,"COC1=CC=C(C=C1)C(=O)ON=C2CCCCC2=CC3=CC=CC=C3","JXSWTOIIWVRIMY-GIUFQOGJSA-N",6383072,NA,"PDBC44641","629629","Present",NA,NA
+"44642","NSC629636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629636",NA,"C1CCC(=NOC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=CC3=CC=CC=C3)C1","WHVXLPGNFUALFI-QUYMBBJYSA-N",5935962,NA,"PDBC44642","629636","Present",NA,NA
+"44643","NSC629637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629637",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C1CCC(=NC(=CC2=CC=CC=C2)C1)[N+]3=CC=CC=C3","QPHPWGJFNWPVQT-INTLEYBYSA-M",5387904,NA,"PDBC44643","629637","Present",NA,NA
+"44644","NSC629638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629638",NA,"CN(C)CC1CCCCC1=NOC(=O)C2=CC=CC=C2.Cl","PXWVAAPELMDJTM-INTLEYBYSA-N",9569962,NA,"PDBC44644","629638","Present",NA,NA
+"44645","NSC629643",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629643",NA,"CN(C)CC1CCCCC1=NOC(=O)C2=CC=C(C=C2)Cl.Cl","FZTDHJAJDTZQBH-MWIGPOFTSA-N",9569963,NA,"PDBC44645","629643","Present",NA,NA
+"44646","NSC629651",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629651",NA,"CN(C)CC1CCCCC1=NOC(=O)C2=CC(=C(C=C2)Cl)Cl.Cl","FTPVGQHSQQQFIX-HVENRQQKSA-N",9569965,NA,"PDBC44646","629651","Present",NA,NA
+"44647","NSC629653",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629653",NA,"CC1=CC=C(C=C1)C(=O)ON=C2CCCCC2CN(C)C.Cl","WRRDIYWMDIFKBG-FTUZMNKQSA-N",9569966,NA,"PDBC44647","629653","Present",NA,NA
+"44648","NSC629654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629654",NA,"CN(C)CC1CCCCC1=NOC(=O)C2=CC=C(C=C2)OC.Cl","JOOVXSRBWHKQDL-FTUZMNKQSA-N",9569967,NA,"PDBC44648","629654","Present",NA,NA
+"44649","NSC629712",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629712",NA,"C1=CC=C(C=C1)C2C(N=C3C(=C4C=CC=CC4=C(C3=N2)O)O)C5=CC=CC=C5","GOKGZGXFVOBTDZ-PMACEKPBSA-N",135503435,NA,"PDBC44649","629712","Present",NA,NA
+"44650","NSC629722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629722",NA,"C1CN2C(=N1)C3=CC=CC4=C3C(=CC=C4)C2=O","STDWUOBRBVGWCK-UHFFFAOYSA-N",364082,NA,"PDBC44650","629722","Present",NA,NA
+"44651","NSC629724",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629724",NA,NA,NA,NA,NA,"PDBC44651","629724","Present",NA,NA
+"44652","NSC629725",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629725",NA,"C1CN=C2C3=CC=CC4=C3C(=CC=C4)C(=O)N2C1","BYZPJKNTZZEQMX-UHFFFAOYSA-N",364085,NA,"PDBC44652","629725","Present",NA,NA
+"44653","NSC629727",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629727",NA,NA,NA,NA,NA,"PDBC44653","629727","Present",NA,NA
+"44654","NSC629728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629728",NA,NA,NA,NA,NA,"PDBC44654","629728","Present",NA,NA
+"44655","NSC629814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629814",NA,"C1=CC=C(C=C1)CNC2=CC3=C(C=C2)NC4=C3C=C(N=C4)CO.Cl","NAKVSEBDMHQYMA-UHFFFAOYSA-N",5387928,NA,"PDBC44655","629814","Present",NA,NA
+"44656","NSC629864",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629864",NA,"CCOP(=O)(C1C2CCCCC2OC1=O)OCC","LEBYUNYOSXULBK-JKIOLJMWSA-N",364164,NA,"PDBC44656","629864","Present",NA,NA
+"44657","NSC629870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629870",NA,"CN(C1=CC=C(C=C1)[N+](=O)[O-])N=CC2=CC=NC3=CC=CC=C23","LFMAVESKFXYGNB-UNOMPAQXSA-N",5936679,NA,"PDBC44657","629870","Present",NA,NA
+"44658","NSC629910",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629910",NA,"CC(CN(C)C)C(=NNC1=CC=CC=C1)C2=CC=CC=C2.Br","OZUUFLMCMWSKRM-KPJFUTMLSA-N",9569968,NA,"PDBC44658","629910","Present",NA,NA
+"44659","NSC629911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629911",NA,"CC(C)(CN(C)C)C(=NNC1=CC=CC=C1)C2=CC=CC=C2.Cl","WJKNETGNQDHWRP-WIPIHYDQSA-N",6516295,NA,"PDBC44659","629911","Present",NA,NA
+"44660","NSC629912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629912",NA,"CN(C)CCC(=NNC1=CC=CC=C1)C=CC2=CC=CC=C2.Cl","BYXFXENMICQWMZ-UWSSUAKGSA-N",9569969,NA,"PDBC44660","629912","Present",NA,NA
+"44661","NSC629914",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629914",NA,"CN(C)CCC(=NNC1=CC=C(C=C1)Cl)C2=CC=CC=C2.Cl","HNSLKOIXRBHTFQ-SJEOTZHBSA-N",9569970,NA,"PDBC44661","629914","Present",NA,NA
+"44662","NSC629915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629915",NA,"CN(C)CCC(=NNC1=CC(=C(C=C1)Cl)Cl)C2=CC=CC=C2.Cl","LJEUPXOXRATXCD-DIRYEVLESA-N",9569971,NA,"PDBC44662","629915","Present",NA,NA
+"44663","NSC629916",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629916",NA,"CN(C)CCC(=NNC1=C(C=C(C=C1)Cl)Cl)C2=CC=CC=C2.Cl","GEDJSOUPJWMTJS-QTNJPTFUSA-N",9569972,NA,"PDBC44663","629916","Present",NA,NA
+"44664","NSC629917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629917",NA,"CN(C)CCC(=NNC1=C(C=CC=C1Cl)Cl)C2=CC=CC=C2.Cl","MPXCVRSCQILCNP-QTNJPTFUSA-N",9569973,NA,"PDBC44664","629917","Present",NA,NA
+"44665","NSC629918",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629918",NA,"CN(C)CCC(=NNC1=CC=C(C=C1)OC)C2=CC=CC=C2.Cl","FRJNQCSFVQPOEO-KPJFUTMLSA-N",9569974,NA,"PDBC44665","629918","Present",NA,NA
+"44666","NSC629919",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629919",NA,"CN(C)CCC(=NNC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2.Cl","BHXDTZBFLBVQAT-ZJSKVYKZSA-N",9569975,NA,"PDBC44666","629919","Present",NA,NA
+"44667","NSC629920",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629920",NA,"CN(C)CCC(=NNC1=C(C(=C(C(=C1F)F)F)F)F)C2=CC=CC=C2.Cl","CYOLWIVOFDRLBB-YDLOHEMZSA-N",9569976,NA,"PDBC44667","629920","Present",NA,NA
+"44668","NSC629921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629921",NA,"CN(C)CCC(=NNC1=CC(=C(C=C1)Cl)Cl)C=CC2=CC=CC=C2.Cl","URYVMWKMFNNGFM-HNEDGAETSA-N",9569977,NA,"PDBC44668","629921","Present",NA,NA
+"44669","NSC629922",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629922",NA,"CN(C)CCC(=NNC1=C(C=C(C=C1)Cl)Cl)C=CC2=CC=CC=C2.Cl","VYGJIMYDYRRVLB-FPJYWBQGSA-N",9569978,NA,"PDBC44669","629922","Present",NA,NA
+"44670","NSC629923",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629923",NA,"CN(C)CCC(=NNC1=C(C(=C(C(=C1F)F)F)F)F)C=CC2=CC=CC=C2.Cl","BUKDVQYVDZVGSS-VSQCGFONSA-N",9569979,NA,"PDBC44670","629923","Present",NA,NA
+"44671","NSC629924",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC629924",NA,"CC(C)(CN(C)C)C(=NNC1=CC=CC=C1)C=CC2=CC=CC=C2.Cl","AYPITQDGNPBTDA-FAWVHZDSSA-N",6516297,NA,"PDBC44671","629924","Present",NA,NA
+"44672","NSC630052",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630052",NA,NA,NA,NA,NA,"PDBC44672","630052","Present",NA,NA
+"44673","NSC630146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630146",NA,"CN1CC(C(=O)C(=O)C(C1)C(=O)C2C(=O)C3=CC=CC=C3C2=O)C(=O)C4C(=O)C5=CC=CC=C5C4=O.Cl","QCYYGEZZZLPJAU-UHFFFAOYSA-N",364241,NA,"PDBC44673","630146","Present",NA,NA
+"44674","NSC630148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630148",NA,"CC(C)C(=O)NC(C)C(=O)N(CC1=CC2=CC=CC=C2C=C1)N=O","WOXRKTZDFXLUEU-ZDUSSCGKSA-N",5387963,NA,"PDBC44674","630148","Present",NA,NA
+"44675","NSC630149",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630149",NA,"CC(C(=O)NC(=O)N(CC1=CC=CC=C1)N=O)C(=O)O","XKRLXAUGVMNRSC-QMMMGPOBSA-N",364244,NA,"PDBC44675","630149","Present",NA,NA
+"44676","NSC630249",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630249",NA,"CC1C(C(C(C(O1)OC2C(C(OC2OC3CCC4(C5CCC6C7C(CCC7(CCC6(C5(CCC4C3(C)CO)C)C)C(=O)O)C(=C)C)C)CO)O)O)O)O","IPSGEHUHDIJOIT-IALPGCDTSA-N",6711518,NA,"PDBC44676","630249","Present",NA,NA
+"44677","NSC630256",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630256",NA,"C1C2C=CC1C(C2C3=CC=CC=C3Cl)[N+](=O)[O-]","GNXJLTPKYBBZTK-JVWKWXTGSA-N",364257,NA,"PDBC44677","630256","Present",NA,NA
+"44678","NSC630257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630257",NA,"C1C2C=CC1C(C2C3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]","DAIZNWRWPDYRFJ-QZAPFHQKSA-N",364258,NA,"PDBC44678","630257","Present",NA,NA
+"44679","NSC630259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630259",NA,"C1C2C=CC1C(C2C3=CC=CO3)[N+](=O)[O-]","GJUPVGNLPWPQKP-JRASRSEESA-N",364260,NA,"PDBC44679","630259","Present",NA,NA
+"44680","NSC630262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630262",NA,"COC1C2CC(C1[N+](=O)[O-])C=C2","PIEQFJYGBFQBBX-DJAIAVIWSA-N",364263,NA,"PDBC44680","630262","Present",NA,NA
+"44681","NSC630299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630299",NA,"CC(C)CC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)CC(=O)CCC(=O)NC3=CC=CC=C3[N+](=O)[O-]","VKNRUNFMKDDCJL-ZTKZIYFRSA-N",5465001,NA,"PDBC44681","630299","Present",NA,NA
+"44682","NSC630301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630301",NA,"C1=CC(=C(C=C1Cl)Cl)NC(=O)C2C(=NNC(=O)C(=O)N)C(=O)N(C2=O)C3=C(C=C(C=C3)Cl)Cl","GCBCSGOJKKSVNH-WGARJPEWSA-N",5479891,NA,"PDBC44682","630301","Present",NA,NA
+"44683","NSC630321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630321",NA,"CC(=NNC(=O)NN)CC(=O)CCC(=O)NC1=CC=CC(=C1)C(F)(F)F","DJDRBVCVWHZNKN-LSFURLLWSA-N",5465002,NA,"PDBC44683","630321","Present",NA,NA
+"44684","NSC630322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630322",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C(=O)NC5=CC=C(C=C5)Cl","ZWPQJGTYAVQFLV-FEZSWGLMSA-N",5465003,NA,"PDBC44684","630322","Present",NA,NA
+"44685","NSC630324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630324",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C(=O)NC5=CC(=C(C=C5)Cl)Cl","ZBIWOJPWBGWDGV-IWBSIUBASA-N",5465004,NA,"PDBC44685","630324","Present",NA,NA
+"44686","NSC630334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630334",NA,"CC1=CC2=C(C=C1OC)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)NC3=C(C(=CC=C3)Cl)C.[Cl-]","HDFUDYFZZZIRFZ-UHFFFAOYSA-N",5479819,NA,"PDBC44686","630334","Present",NA,NA
+"44687","NSC630335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630335",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NNC(=O)C[N+](C)(C)C)C(=O)NC3=CC=C(C=C3)Cl.[Cl-]","YVJOVFLGVFYXLB-UHFFFAOYSA-N",54608553,NA,"PDBC44687","630335","Present",NA,NA
+"44688","NSC630356",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630356",NA,"CCC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-].[Cl-]","XMQTVAVOBZBRNI-YGCQTIHHSA-N",54608816,NA,"PDBC44688","630356","Present",NA,NA
+"44689","NSC630360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630360",NA,"COC1=CC=C(C=C1)NC(=O)CCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])CC(=O)C3=CC=CO3","VBTCEGMIRORDEZ-XYGWBWBKSA-N",5465006,NA,"PDBC44689","630360","Present",NA,NA
+"44690","NSC630361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630361",NA,"COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)N)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])O","OXWHQTRBCYRVOJ-QRVIBDJDSA-N",5465007,NA,"PDBC44690","630361","Present",NA,NA
+"44691","NSC630363",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630363",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=NNC2=NN=C(N2N)C)CC(=O)C(C)(C)C)C","OHIJINJKXFEDAD-UQQQWYQISA-N",5465008,NA,"PDBC44691","630363","Present",NA,NA
+"44692","NSC630367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630367",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=NNC(=O)C[N+]3=CC=CC=C3)CC(=O)C4=CC=CC=C4.[Cl-]","MTFJCMJUKWCACL-NKSCCWAASA-N",5479924,NA,"PDBC44692","630367","Present",NA,NA
+"44693","NSC630368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630368",NA,"CCCC(=NNC(=O)C(=O)N)C(CC)C(=O)CCC(=O)N(CC1=CC=CC=C1)CC2=CC=CC=C2","TXLBRGLHDVCRNH-FAJYDZGRSA-N",5479926,NA,"PDBC44693","630368","Present",NA,NA
+"44694","NSC630427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630427",NA,"C1CC2CC2C3(C1)OC(C(O3)C4=CC=CC=C4)C5=CC=CC=C5","UHRYNRULIGUQPN-XEMPOMFESA-N",364368,NA,"PDBC44694","630427","Present",NA,NA
+"44695","NSC630443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630443",NA,"COC(=O)C1C(OC2(O1)CCCC3C2C3)C(=O)OC","METJBMPNTMUSBT-GQGXYNSTSA-N",364384,NA,"PDBC44695","630443","Present",NA,NA
+"44696","NSC630451",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630451",NA,"COC1=C(C=C2C(NCCC2=C1)C(C3=CC=CC=C3)O)OC","VJCADSFAKULTBF-ZWKOTPCHSA-N",364391,NA,"PDBC44696","630451","Present",NA,NA
+"44697","NSC630452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630452",NA,"COC1=C(C=C2C3C(OCN3CCC2=C1)C4=CC=CC=C4)OC","RUOVSPASTBGUAB-MUMRKEEXSA-N",364392,NA,"PDBC44697","630452","Present",NA,NA
+"44698","NSC630453",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630453",NA,"COC1=C(C=C2C(NCCC2=C1)C(C3=CC=CC=C3)O)OC","VJCADSFAKULTBF-ZENAZSQFSA-N",364393,NA,"PDBC44698","630453","Present",NA,NA
+"44699","NSC630507",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630507",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C(=O)NCCN(C)C)C)C","PCGYYIHRQWNZFL-HRXLJPBISA-N",6711523,NA,"PDBC44699","630507","Present",NA,NA
+"44700","NSC630508",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630508",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)NCC[N+](C)(C)CCCS(=O)(=O)[O-])C)C","ZDWOBDFRKWTVOJ-HSHKFECOSA-N",11969867,NA,"PDBC44700","630508","Present",NA,NA
+"44701","NSC630509",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630509",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)C(=O)NCC[N+](C)(C)CCCS(=O)(=O)[O-])C)C","JCHKLFCNHHFXFB-YUVFZCOFSA-N",24202123,NA,"PDBC44701","630509","Present",NA,NA
+"44702","NSC630597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630597",NA,"CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C45C(O4)C(=O)C(C5(CC3)C)C6=COC=C6)C)C)(C)C","NEYCGDYQBQONFC-LUKGJYRVSA-N",364400,NA,"PDBC44702","630597","Present",NA,NA
+"44703","NSC630600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630600",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C(Cl)(Cl)Cl","WGLNDYWITCIUGN-JYFOCSDGSA-N",5387999,NA,"PDBC44703","630600","Present",NA,NA
+"44704","NSC630602",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630602",NA,"CCOC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1","DJIOYGAIBLADNB-IWGRKNQJSA-N",5388001,NA,"PDBC44704","630602","Present",NA,NA
+"44705","NSC630603",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630603",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)OCC(Cl)(Cl)Cl","YWMVFXODXHGDTH-GDAWTGGTSA-N",5388002,NA,"PDBC44705","630603","Present",NA,NA
+"44706","NSC630604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630604",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)OC4=CC=CC=C4","XLDMFJRQWIVEPX-LKNRODPVSA-N",5388003,NA,"PDBC44706","630604","Present",NA,NA
+"44707","NSC630605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630605",NA,"COC1=CC=C(C=C1)OC(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2","RTUXBVLRCHGASV-LKNRODPVSA-N",5388004,NA,"PDBC44707","630605","Present",NA,NA
+"44708","NSC630606",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630606",NA,"CC1=CC=C(C=C1)OC(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2","MLBBGBDJVSZUBN-WPHIWBHXSA-N",5388005,NA,"PDBC44708","630606","Present",NA,NA
+"44709","NSC630607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630607",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)OC4=CC=C(C=C4)Cl","FNXCWBHQNWTCOR-YHARCJFQSA-N",5388006,NA,"PDBC44709","630607","Present",NA,NA
+"44710","NSC630608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630608",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)OC4=CC=C(C=C4)[N+](=O)[O-]","HSHAHNNUYWQYPZ-YHARCJFQSA-N",5388007,NA,"PDBC44710","630608","Present",NA,NA
+"44711","NSC630609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630609",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)OCC4=CC=CC=C4","CSPUMCDDBFCPRT-MUPYBJATSA-N",5388008,NA,"PDBC44711","630609","Present",NA,NA
+"44712","NSC630670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630670",NA,"CC[S+](C)C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)[S+](C)CC)C8=CC=C(C=C8)[S+](C)CC)C=C4)C9=CC=C(C=C9)[S+](C)CC)N3.[O-]Cl(=O)(=O)=O","CRRSMEFUJAEWEI-UHFFFAOYSA-M",135439983,NA,"PDBC44712","630670","Present",NA,NA
+"44713","NSC630673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630673",NA,"CC(C)C1CC2(C=CC(=O)C3C2(C1C3)OC)C(=O)OC","ICECGOWDKVFHTF-RWHLMYBWSA-N",364419,NA,"PDBC44713","630673","Present",NA,NA
+"44714","NSC630674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630674",NA,"CC(C)C1CC2(C3C1CC3C(=O)C=C2OC)C(=O)OC","VRWBCJISCDXOSA-GFDLVESYSA-N",364420,NA,"PDBC44714","630674","Present",NA,NA
+"44715","NSC630733",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630733",NA,NA,NA,NA,NA,"PDBC44715","630733","Present",NA,NA
+"44716","NSC630765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630765",NA,NA,NA,NA,NA,"PDBC44716","630765","Present",NA,NA
+"44717","NSC630812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630812",NA,"CC1=C(C2=C(N=C(N(C2=O)C)OC)N(C1=O)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O","SBTADRDIBZMSBO-UHFFFAOYSA-N",54676248,NA,"PDBC44717","630812","Present",NA,NA
+"44718","NSC630884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630884",NA,"CC1=NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O1","ODNSPFZFMYOBLW-POHAHGRESA-N",5388015,NA,"PDBC44718","630884","Present",NA,NA
+"44719","NSC630959",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630959",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.CC1=NC(=CC=C1)C=NN=C(N)NO","WDXNREAXBNPFIT-OAZHBLANSA-N",135435104,NA,"PDBC44719","630959","Present",NA,NA
+"44720","NSC630960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630960",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C1F)C(=C(N2)O)C=NN=C(N)N=O","LBNVTCYYAXBJAX-UHFFFAOYSA-N",135503438,NA,"PDBC44720","630960","Present",NA,NA
+"44721","NSC630961",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630961",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CSC(=C1)C=NN=C(N)NO","FTQVELQTZFAWIV-OVLVCPKESA-N",9570002,NA,"PDBC44721","630961","Present",NA,NA
+"44722","NSC630962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630962",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.CS(=O)(=O)OC1=CC=CC(=C1)C=NN=C(N)NO","QUZYRBDJRZOVLT-ICSBZGNSSA-N",9570004,NA,"PDBC44722","630962","Present",NA,NA
+"44723","NSC630963",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630963",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC(=C1)C#N)C=NN=C(N)NO","FANYPQVAMPLLMR-WXIWBVQFSA-N",9570006,NA,"PDBC44723","630963","Present",NA,NA
+"44724","NSC630965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630965",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC(=CC=C1C=NN=C(N)NO)C(F)(F)F","TYMOFVJGEWIRHQ-OCSIRBNJSA-N",9570010,NA,"PDBC44724","630965","Present",NA,NA
+"44725","NSC630971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC630971",NA,"C1C(C(OC1N2C=C3C=COC3=NC2=O)CO)O","NPBLHAAOWBLIFR-UHFFFAOYSA-N",364551,NA,"PDBC44725","630971","Present",NA,NA
+"44726","NSC631075",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631075",NA,"CN(C)C1=CC=C(C=C1)C=CC=CC2=CC(=CC=CC=C3C=CC(=[N+](C)C)C=C3)SC4=CC=CC=C42.[O-]Cl(=O)(=O)=O","NKOHJHPRBIHTCB-UHFFFAOYSA-M",54611312,NA,"PDBC44726","631075","Present",NA,NA
+"44727","NSC631128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631128",NA,"C1CC2CC(=O)C(C2C1)CC=O","CXUWTFVRSNMVAF-XHNCKOQMSA-N",6711561,NA,"PDBC44727","631128","Present",NA,NA
+"44728","NSC631229",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631229",NA,"COC(=O)C1=CC=C(C=C1)NC=C(C#N)C2=CSC=C2","YJZSWEJOLLBGCL-LCYFTJDESA-N",2766402,NA,"PDBC44728","631229","Present",NA,NA
+"44729","NSC631251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631251",NA,"CC1(OC2C3CC(C(C2O1)O3)(CS(=NC)(=O)C4=CC=CC=C4)O)C","MBJRLTHWFYSDTN-KGMPURLDSA-N",6711562,NA,"PDBC44729","631251","Present",NA,NA
+"44730","NSC631253",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631253",NA,"CC(=O)OC1CSCC(C1[N+](=O)[O-])OC(=O)C","MMCWSWXGKHYGGE-JVHMLUBASA-N",364662,NA,"PDBC44730","631253","Present",NA,NA
+"44731","NSC631254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631254",NA,"CC(C)(C)C(=O)N1C(CC2=CC=CC=C2C1CC3=CC=CC=C3)C(=O)O","CMKGUUIBQJOJPS-OYKVQYDMSA-N",364663,NA,"PDBC44731","631254","Present",NA,NA
+"44732","NSC631297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631297",NA,"C1CC2CC(=O)CC(N2C1)C3=CC=CC=C3","DGWLWWJWBGJWPY-TZMCWYRMSA-N",6711563,NA,"PDBC44732","631297","Present",NA,NA
+"44733","NSC631300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631300",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)NCCCCCNC(=O)C3=CC=CO3)N)OC.Cl","YPQQXDKWFCOLID-UHFFFAOYSA-N",364670,NA,"PDBC44733","631300","Present",NA,NA
+"44734","NSC631308",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631308",NA,"CC1=C(C2=CC=CC=C2N1C)C(CC3=CC=CC=C3N(C)C(=O)C=CC(=O)O)C4=CNC5=CC=CC=C54","SFGICHGJLNBELA-MSUUIHNZSA-N",5388052,NA,"PDBC44734","631308","Present",NA,NA
+"44735","NSC631309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631309",NA,"CC1=C(C2=CC=CC=C2N1C)C3CC4=CC=CC=C4N3.Cl","XBTFEEBDSZUPDR-UHFFFAOYSA-N",364676,NA,"PDBC44735","631309","Present",NA,NA
+"44736","NSC631311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631311",NA,"CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)C=CC(=O)O","BLCOALNKHFNYCK-KHPPLWFESA-N",5388054,NA,"PDBC44736","631311","Present",NA,NA
+"44737","NSC631312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631312",NA,"CC1=C(C2=CC=CC=C2N1C)C3CC4=CC=CC=C4N3C(=O)C=CC(=O)O","KORJBGWASHRBCG-QXMHVHEDSA-N",5388055,NA,"PDBC44737","631312","Present",NA,NA
+"44738","NSC631316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631316",NA,"CCOC1C2CC(C1[N+](=O)[O-])C=C2","XUTFFPJMZPBEOI-GEPGNKONSA-N",6711564,NA,"PDBC44738","631316","Present",NA,NA
+"44739","NSC631320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631320",NA,"COC1=CC=C(C=C1)C23C4C(C(=O)N(C4=O)C5=CC=CC=C5)ON2C6=CC=CC=C6C3=O","XTUDEHARSIPFDI-SXNCYPNXSA-N",364686,NA,"PDBC44739","631320","Present",NA,NA
+"44740","NSC631377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631377",NA,"CCC1C(C=CC(N1S(=O)(=O)C2=CC=C(C=C2)C)C)C","PIYQVSCNHUOKRX-LZWOXQAQSA-N",364719,NA,"PDBC44740","631377","Present",NA,NA
+"44741","NSC631441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631441",NA,"CC1=NN=N[N-]1.N.N.N.N.N.[Cl-].[Co+3]","NHCGPDZAHAAHDY-UHFFFAOYSA-M",24202165,NA,"PDBC44741","631441","Present",NA,NA
+"44742","NSC631442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631442",NA,"CC1=N[N-]N=N1.N.N.N.N.N.[Cl-].[Co+3]","NHCGPDZAHAAHDY-UHFFFAOYSA-M",24202166,NA,"PDBC44742","631442","Present",NA,NA
+"44743","NSC631443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631443",NA,"C1=CC=C(C=C1)C2=N[N-]N=N2.N.N.N.N.N.[Cl-].[Co+3]","QDKJDKGQKLWSJL-UHFFFAOYSA-M",24202167,NA,"PDBC44743","631443","Present",NA,NA
+"44744","NSC631444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631444",NA,"C(#N)C1=N[N-]N=N1.N.N.N.N.N.[Cl-].[Co+3]","SBRHUOPVXLCEQE-UHFFFAOYSA-M",24202168,NA,"PDBC44744","631444","Present",NA,NA
+"44745","NSC631445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631445",NA,"C1(=N[N-]N=N1)C(=O)N.N.N.N.N.N.[Cl-].[Co+3]","YBGBAJHDQROQSM-UHFFFAOYSA-L",24202169,NA,"PDBC44745","631445","Present",NA,NA
+"44746","NSC631446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631446",NA,"C1(=N[N-]N=N1)C(=O)[O-].N.N.N.N.N.[Cl-].[Co+3]","CTQNHNCNVZEQKS-UHFFFAOYSA-K",24202170,NA,"PDBC44746","631446","Present",NA,NA
+"44747","NSC631447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631447",NA,"C1(=NN=N[N-]1)C2=N[N-]N=N2.N.N.N.N.N.[Cl-].[Co+3]","RFMHCOWOLVCKLM-UHFFFAOYSA-M",24202171,NA,"PDBC44747","631447","Present",NA,NA
+"44748","NSC631449",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631449",NA,"CC1CC(C(=C1)C=O)(C(=O)OC)O","MTEWNCYUXNWGDW-IOJJLOCKSA-N",6711566,NA,"PDBC44748","631449","Present",NA,NA
+"44749","NSC631450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631450",NA,"COC1=CC(=CC(=C1[O-])C=N[N-]C(=S)N)N=NC2=CC=CC=C2.COC1=CC(=CC(=C1[O-])C=N[N-]C(=S)N)N=NC2=CC=CC=C2.[Fe+4]","SOWNVDZJLGTWPH-UHFFFAOYSA-J",11963585,NA,"PDBC44749","631450","Present",NA,NA
+"44750","NSC631451",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631451",NA,NA,NA,NA,NA,"PDBC44750","631451","Present",NA,NA
+"44751","NSC631479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631479",NA,NA,NA,NA,NA,"PDBC44751","631479","Present",NA,NA
+"44752","NSC631519",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631519",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=NNC(=S)N)C(=O)N(C(=O)C3=O)C4=C(C=C(C=C4)Cl)Cl","MIHIQMDEYPMKMM-ZVHZXABRSA-N",5465038,NA,"PDBC44752","631519","Present",NA,NA
+"44753","NSC631582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631582",NA,"CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NC3=CC(=C(C(=C3)OC)OC)OC.Cl","AHSPWRWZLMYALP-UHFFFAOYSA-N",364822,NA,"PDBC44753","631582","Present",NA,NA
+"44754","NSC631596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631596",NA,NA,NA,NA,NA,"PDBC44754","631596","Present",NA,NA
+"44755","NSC631664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631664",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)OC)CC(=O)C(C)(C)C)C","KZDNYIFJOZPINR-JWGURIENSA-N",5465039,NA,"PDBC44755","631664","Present",NA,NA
+"44756","NSC631665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631665",NA,"COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)CC#N)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])O","LPQYHRROBQEDGO-MYYYXRDXSA-N",5465040,NA,"PDBC44756","631665","Present",NA,NA
+"44757","NSC631672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631672",NA,"CCC(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)CC(=O)CCC(=O)NC3=CC(=C(C=C3)C)C","WVZDLPNODPFGSL-XHLNEMQHSA-N",5465042,NA,"PDBC44757","631672","Present",NA,NA
+"44758","NSC631676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631676",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C2=CC3=CC=CC=C3C=C2O)CC(=O)C(C)(C)C)C","JEBAKYHJTPHXFK-SXBRIOAWSA-N",5479897,NA,"PDBC44758","631676","Present",NA,NA
+"44759","NSC631677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631677",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C[N+](C)(C)C)CC(=O)C(C)(C)C)C.[Cl-]","KYAHRUFBCFHAJW-VQFXXQHUSA-N",50986643,NA,"PDBC44759","631677","Present",NA,NA
+"44760","NSC631679",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631679",NA,"CC1=CC(=C(C=C1)C)NC(=O)CCC(=NNC(=O)C(=O)N)C(C)C(=O)C2=CC=C(C=C2)O","WGZJQCZFPLUKNZ-NLRVBDNBSA-N",5465046,NA,"PDBC44760","631679","Present",NA,NA
+"44761","NSC631681",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631681",NA,"COC1=C(C=CC(=C1)C(=O)CC(=NNC(=O)C(=O)N)CCC(=O)NC2=CC=CC=C2[N+](=O)[O-])O","BUKFDNXANIDJEY-CFRMEGHHSA-N",5465047,NA,"PDBC44761","631681","Present",NA,NA
+"44762","NSC631684",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631684",NA,"CCCCCCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(=O)CCC(=O)NCCC2=CC=CC=C2","LVEYLPKWEKMZMC-SGWCAAJKSA-N",5465049,NA,"PDBC44762","631684","Present",NA,NA
+"44763","NSC631687",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631687",NA,"C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)CCC(=NO)CC(=NO)C3=CC=C(C=C3)F","NWEHDIQJVKGIOJ-OYUJONNZSA-N",6368667,NA,"PDBC44763","631687","Present",NA,NA
+"44764","NSC631737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631737",NA,NA,NA,NA,NA,"PDBC44764","631737","Present",NA,NA
+"44765","NSC631738",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631738",NA,NA,NA,NA,NA,"PDBC44765","631738","Present",NA,NA
+"44766","NSC631739",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631739",NA,NA,NA,NA,NA,"PDBC44766","631739","Present",NA,NA
+"44767","NSC631740",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631740",NA,NA,NA,NA,NA,"PDBC44767","631740","Present",NA,NA
+"44768","NSC631741",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631741",NA,NA,NA,NA,NA,"PDBC44768","631741","Present",NA,NA
+"44769","NSC631808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631808",NA,"C1CCC2C(C1)OC(=S)O2","ZSSRBNNSYVEHJT-LWOQYNTDSA-N",364921,NA,"PDBC44769","631808","Present",NA,NA
+"44770","NSC631916",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631916",NA,"CC1=NC(C2CCC(C1C2)(C)NC(=O)C)(C)C","AKRBICRIVVVNDO-VBVNFKHJSA-N",365005,NA,"PDBC44770","631916","Present",NA,NA
+"44771","NSC631917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631917",NA,"CC1=NC(C2CCC(C1C2)(C)NC(=O)C)(C)C","AKRBICRIVVVNDO-DCBWTQNWSA-N",365006,NA,"PDBC44771","631917","Present",NA,NA
+"44772","NSC631938",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC631938",NA,NA,NA,NA,NA,"PDBC44772","631938","Present",NA,NA
+"44773","NSC632016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632016",NA,"CC1=CC=C(C=C1)NC(=O)CCCC(=NNC(=O)CC#N)CC(=O)C2=CC=C(C=C2)Br","UFNKZEKYGDRGSG-OOAXWGSJSA-N",5465055,NA,"PDBC44773","632016","Present",NA,NA
+"44774","NSC632017",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632017",NA,"C1=CC(=CC=C1C(=O)CC(=NNC(=S)N)C(=O)NC2=NC=C(S2)[N+](=O)[O-])[N+](=O)[O-]","PCMUBDCHCBHFNF-NVMNQCDNSA-N",5480005,NA,"PDBC44774","632017","Present",NA,NA
+"44775","NSC632024",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632024",NA,"CC(=CC(=O)CC(=NNC(=S)N)C(=O)NC1=CC=C(C=C1)Cl)C","XHPYWPHYGFGTGJ-CPNJWEJPSA-N",5465056,NA,"PDBC44775","632024","Present",NA,NA
+"44776","NSC632026",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632026",NA,"CCCCN(CCCC)C(=O)C(=NNC(=O)C1=CC2=CC=CC=C2C=C1O)CC(=O)C3=CC=CC4=CC=CC=C43","FDLFVZXEYNUZQG-BNIPGBBVSA-N",5465057,NA,"PDBC44776","632026","Present",NA,NA
+"44777","NSC632029",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632029",NA,"C1=CC=C(C=C1)N2C(=O)C(C(=N2)N)C(=NNC(=O)C3=CC4=CC=CC=C4C=C3O)C(=O)NC5=CC=CC(=C5)C(F)(F)F","BBBAEHWCONSLKW-JWHWKPFMSA-N",5465058,NA,"PDBC44777","632029","Present",NA,NA
+"44778","NSC632030",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632030",NA,"CC(=NNC(=O)CC#N)CC(=O)CCCC(=O)NC1=C(C=C(C=C1)Cl)Cl","GWDWEJWVGHQIPQ-JJFYIABZSA-N",5465059,NA,"PDBC44778","632030","Present",NA,NA
+"44779","NSC632032",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632032",NA,"CCC(=NO)C(C)C(=O)CCC(=O)NC1=CC=C(C=C1)Cl","USUGUQLVJTZTIF-AQTBWJFISA-N",5465060,NA,"PDBC44779","632032","Present",NA,NA
+"44780","NSC632038",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632038",NA,"C1CC(C(=NNC(=O)C(=O)NN)C1)C(=O)CCC(=O)NC2=CC=C(C=C2)Cl","ORPVAENJEJFUAI-XKZIYDEJSA-N",5479928,NA,"PDBC44780","632038","Present",NA,NA
+"44781","NSC632108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632108",NA,"CC1=C2C(C3C=CC2(C=C3OC)N(C1=O)C(=O)NC4CCCCC4)C5=CC=CC=C5","IPVTXSSBFHSCEP-FMQWRWPZSA-N",6711596,NA,"PDBC44781","632108","Present",NA,NA
+"44782","NSC632109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632109",NA,"CC1=C2C(C3C=CC2(C4=CC=CC=C34)N(C1=O)C(=O)C(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7","OCJTUCBXBWMLNU-YJCAWSRRSA-N",6711597,NA,"PDBC44782","632109","Present",NA,NA
+"44783","NSC632110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632110",NA,"CC1=C2C(C3C=CC2(C=C3C(F)(F)F)N(C1=O)C(=O)NC4CCCCC4)C5=CC=CC=C5","JEGVHWSFRMXRDN-WLBKGHODSA-N",6711598,NA,"PDBC44783","632110","Present",NA,NA
+"44784","NSC632112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632112",NA,"CC1=C2C(C3C=CC2(C4=CC=CC=C34)N(C1=O)C(=O)NC5=CC=CC6=CC=CC=C65)C7=CC=CC=C7","FYGHGIIJDSWKGL-YCQMHXFUSA-N",6711599,NA,"PDBC44784","632112","Present",NA,NA
+"44785","NSC632131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632131",NA,"CC(CNCCCNCCNCCCNCO)[N+](=O)[O-].Cl","OBLLXINEQIUSDD-UHFFFAOYSA-N",365103,NA,"PDBC44785","632131","Present",NA,NA
+"44786","NSC632182",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632182",NA,"CC(=C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CSCC=C)NC(=O)COC2=CC=CC=C2)C","KAANATBIQMHISF-QFIPXVFZSA-N",365119,NA,"PDBC44786","632182","Present",NA,NA
+"44787","NSC632184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632184",NA,"CCCSSC1C(C(=O)N1)NC(=O)COC2=CC=CC=C2","STQPPDVIRNKFTL-TZMCWYRMSA-N",365121,NA,"PDBC44787","632184","Present",NA,NA
+"44788","NSC632237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632237",NA,"CC1=C(C=C(C=C1)NC(=O)CCC(=NNC(=O)C(=O)N)CC(=O)C(C)(C)C)C","YOGIWKZIZBVCAT-HAHDFKILSA-N",5465061,NA,"PDBC44788","632237","Present",NA,NA
+"44789","NSC632238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632238",NA,"CCCCCCC(=NNC(=O)C1=C(C2=CC=CC=C2C=C1)O)CC(=O)CCC(=O)NCCC3=CC=CC=C3","QHFXLZUKKOVVET-INKHBPHZSA-N",5479898,NA,"PDBC44789","632238","Present",NA,NA
+"44790","NSC632240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632240",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCCC(=NNC(=O)NN)C(C#N)C2=CC=C(C=C2)CC#N","KRHDZGAUECMQEQ-RRAHZORUSA-N",5465062,NA,"PDBC44790","632240","Present",NA,NA
+"44791","NSC632481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632481",NA,"CC(C)C1C=C(C2=CC=CC=C2C1C(C#N)(C#N)C(C)C)C3=CC=CC=C3","WQTAIWKVOYFEAW-OWJIYDKWSA-N",365188,NA,"PDBC44791","632481","Present",NA,NA
+"44792","NSC632542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632542",NA,"C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC3=CC=CO3.Cl","WNDMMSAYWQVCAY-HRNDJLQDSA-N",6516421,NA,"PDBC44792","632542","Present",NA,NA
+"44793","NSC632543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632543",NA,"C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC3=CC=C(O3)[N+](=O)[O-].Cl","STQNPYJQXXYGQR-WVLIHFOGSA-N",6516422,NA,"PDBC44793","632543","Present",NA,NA
+"44794","NSC632544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632544",NA,"CC1=CC(=C(O1)C)C(=O)N2CCN(CC2)CC3=CC=CC=C3.Cl","ICPRVIGVVYXGFE-UHFFFAOYSA-N",365218,NA,"PDBC44794","632544","Present",NA,NA
+"44795","NSC632819",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632819",NA,NA,NA,NA,NA,"PDBC44795","632819","Present",NA,NA
+"44796","NSC632820",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632820",NA,NA,NA,NA,NA,"PDBC44796","632820","Present",NA,NA
+"44797","NSC632822",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632822",NA,"C1CC(C(=NO)C(=CC2=CC=C(C=C2)F)C1)C(C3=CC=C(C=C3)F)NO","UXDMUBQZCGHXNL-VTWWSLAJSA-N",5879403,NA,"PDBC44797","632822","Present",NA,NA
+"44798","NSC632823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632823",NA,"C1CC(C(=NO)C(=CC2=CC3=C(C=C2)OCO3)C1)C(C4=CC5=C(C=C4)OCO5)NO","QKIJRORHADNFJM-OUFNXEEISA-N",6475312,NA,"PDBC44798","632823","Present",NA,NA
+"44799","NSC632824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632824",NA,"C1CC(C(=NO)C(=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C1)C(C4=CC=C(C=C4)OCC5=CC=CC=C5)NO","BOAQPWHPPGAOBM-YBJGGTIYSA-N",5928828,NA,"PDBC44799","632824","Present",NA,NA
+"44800","NSC632825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632825",NA,"C1CC(C(=NO)C(=CC2=CC=C(C=C2)OC3=CC=CC=C3)C1)C(C4=CC=C(C=C4)OC5=CC=CC=C5)NO","PWRSGJIYSDCUGZ-LBYIIPKESA-N",5911014,NA,"PDBC44800","632825","Present",NA,NA
+"44801","NSC632826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632826",NA,"CC1=CC=C(C=C1)C=C2CCCC(C2=NO)C(C3=CC=C(C=C3)C)NO","HWQOPKDWYTZYLY-GDBHHJMHSA-N",5798147,NA,"PDBC44801","632826","Present",NA,NA
+"44802","NSC632827",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632827",NA,"COC1=CC=C(C=C1)C=C2CCCC(C2=NO)C(C3=CC=C(C=C3)OC)NO","LSPQAPMSPVMUIX-AMHACFBHSA-N",6477176,NA,"PDBC44802","632827","Present",NA,NA
+"44803","NSC632828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632828",NA,"C1CC(C(=NO)C(=CC2=CC=C(C=C2)Cl)C1)C(C3=CC=C(C=C3)Cl)NO","UBTZIGTZUQCBSM-VTWWSLAJSA-N",5796650,NA,"PDBC44803","632828","Present",NA,NA
+"44804","NSC632829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632829",NA,"C1CC(C(=NO)C(=CC2=CC(=C(C=C2)Cl)Cl)C1)C(C3=CC(=C(C=C3)Cl)Cl)NO","WJLNMDAGYMKYBT-CKRBYCFASA-N",6477069,NA,"PDBC44804","632829","Present",NA,NA
+"44805","NSC632838",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632838",NA,"C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1.Cl","ATKSBCRDKVUKSY-XETSTSIRSA-N",44567341,NA,"PDBC44805","632838","Present",NA,NA
+"44806","NSC632840",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632840",NA,"COC1=CC=C(C=C1)C=C2CNCC(=CC3=CC=C(C=C3)OC)C2=O.Cl","LVEUVLZOULPGGO-OYJDLGDISA-N",12721859,NA,"PDBC44806","632840","Present",NA,NA
+"44807","NSC632929",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632929",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)NN","MSMMNDOAZXDPFT-ZROIWOOFSA-N",5388163,NA,"PDBC44807","632929","Present",NA,NA
+"44808","NSC632932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632932",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NN","GCUKFUYVUWDOQJ-UVTDQMKNSA-N",5388164,NA,"PDBC44808","632932","Present",NA,NA
+"44809","NSC632933",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632933",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)NN","FCBDTZXFBKBSGP-ZSOIEALJSA-N",5388165,NA,"PDBC44809","632933","Present",NA,NA
+"44810","NSC632939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632939",NA,"CCCCCCCCCCCCCCCCC(=C(C(=O)OCC)O)C(=O)OC.[Na+]","JFGLSKDSBYKTDR-CFRCJOIHSA-N",54723282,NA,"PDBC44810","632939","Present",NA,NA
+"44811","NSC632940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632940",NA,"CCCCCCCCCCCCCCC(=C(C(=O)OCC)O)C(=O)OC.[Na+]","DSFKKBZGTGJHRO-TVWXOORISA-N",54723283,NA,"PDBC44811","632940","Present",NA,NA
+"44812","NSC632941",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632941",NA,"CCOC(=O)C(=C(C1=CC=C(C=C1)Cl)C(=O)OC)O.[Na+]","GWPLREWAPNDPKI-GMFCBQQYSA-N",54723284,NA,"PDBC44812","632941","Present",NA,NA
+"44813","NSC632944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632944",NA,"CCCCCCC(CC=CCCCCCCC(=C(C(=O)OCC)O)C(=O)OC)O.[Na+]","ONIXBCCBBPAIEZ-RFDCZNHNSA-N",54723287,NA,"PDBC44813","632944","Present",NA,NA
+"44814","NSC632951",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632951",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CC4=CC=CC=C43)C(=O)O2","YYCXXTRMDFPLAF-AQTBWJFISA-N",1945690,NA,"PDBC44814","632951","Present",NA,NA
+"44815","NSC633004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633004",NA,"C1=CC=C(C=C1)C(=NO)CS(=O)(=O)C2=CC=CC=C2","WVUQXZSJMSIFGV-CCEZHUSRSA-N",5465070,NA,"PDBC44815","633004","Present",NA,NA
+"44816","NSC633020",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633020",NA,"C1=CC=C2C(=C1)C(=C3C(=CC=C(C3=N2)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N=C(N)N)Cl)NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N","NPEREOQVQJOLML-UHFFFAOYSA-N",365400,NA,"PDBC44816","633020","Present",NA,NA
+"44817","NSC633023",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633023",NA,"C1=CC2=C(C(=C1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N=C(N)N)N=C4C=C(C=CC4=C2NC5=CC=C(C=C5)S(=O)(=O)N=C(N)N)Cl","QJLINRUCTSFSIX-UHFFFAOYSA-N",365403,NA,"PDBC44817","633023","Present",NA,NA
+"44818","NSC633059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633059",NA,"CCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)O)O","XQNOCHPTUCJHOX-UHFFFAOYSA-N",365434,NA,"PDBC44818","633059","Present",NA,NA
+"44819","NSC633061",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633061",NA,"CCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)O)O","HPRBJMGPAUWANO-UHFFFAOYSA-N",365436,NA,"PDBC44819","633061","Present",NA,NA
+"44820","NSC633062",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633062",NA,"CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)O)O","SJKAVGGGPSSCSN-UHFFFAOYSA-N",365437,NA,"PDBC44820","633062","Present",NA,NA
+"44821","NSC633064",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633064",NA,"CCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)CCCCCCCCC)O","SQTNOIZAKDWXKI-UHFFFAOYSA-N",365439,NA,"PDBC44821","633064","Present",NA,NA
+"44822","NSC633067",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633067",NA,"CCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)CCCCCCC)O","JLDODMIVSVWZAQ-UHFFFAOYSA-N",365442,NA,"PDBC44822","633067","Present",NA,NA
+"44823","NSC633098",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633098",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3)N4CCOCC4","QGHKQIFGVNSCTL-OUKQBFOZSA-N",15075880,NA,"PDBC44823","633098","Present",NA,NA
+"44824","NSC633099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633099",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC)N4CCOCC4","GXHCTVXAPYLBOY-JLHYYAGUSA-N",6516466,NA,"PDBC44824","633099","Present",NA,NA
+"44825","NSC633100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633100",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl)N4CCOCC4","UHGATTVYMNGGBF-FMIVXFBMSA-N",15075881,NA,"PDBC44825","633100","Present",NA,NA
+"44826","NSC633101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633101",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)F)N4CCOCC4","SLHNSIOGYSYLIO-FMIVXFBMSA-N",15075882,NA,"PDBC44826","633101","Present",NA,NA
+"44827","NSC633106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633106",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3)N4CCCCC4","ODISEHHLLDQKIP-FOCLMDBBSA-N",6516467,NA,"PDBC44827","633106","Present",NA,NA
+"44828","NSC633107",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633107",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC)N4CCCCC4","PUPYSRAGDHGXRF-DTQAZKPQSA-N",15075883,NA,"PDBC44828","633107","Present",NA,NA
+"44829","NSC633108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633108",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl)N4CCCCC4","PIGNUWDYJJDECV-NTCAYCPXSA-N",15075884,NA,"PDBC44829","633108","Present",NA,NA
+"44830","NSC633109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633109",NA,"CN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)F)N4CCCCC4","HCPNGPVLUDAUFL-NTCAYCPXSA-N",15075885,NA,"PDBC44830","633109","Present",NA,NA
+"44831","NSC633233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633233",NA,NA,NA,NA,NA,"PDBC44831","633233","Present",NA,NA
+"44832","NSC633243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633243",NA,NA,NA,NA,NA,"PDBC44832","633243","Present",NA,NA
+"44833","NSC633260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633260",NA,"CC(=C1C=CC=CN1O)N=NS(=O)(=O)C2=CC=CC=C2","ZPUKOOVSPACMGW-YASHDYHLSA-N",24202215,NA,"PDBC44833","633260","Present",NA,NA
+"44834","NSC633261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633261",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=NC(=C2C=CC=CN2O)C","IFUAFYHLCRSMHE-AUBNMFOQSA-N",24202216,NA,"PDBC44834","633261","Present",NA,NA
+"44835","NSC633262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633262",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N=NC(=C2C=CC=CN2O)C)C","DOMJZXWEJYABIX-KUEFFENUSA-N",24202217,NA,"PDBC44835","633262","Present",NA,NA
+"44836","NSC633263",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633263",NA,"CC(=C1C=CC=CN1O)N=NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","CSVODTRHJOWRTG-PDFXNIHZSA-N",24202218,NA,"PDBC44836","633263","Present",NA,NA
+"44837","NSC633264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633264",NA,"CC(=NNS(=O)(=O)C1=CC=CC=C1)C2=N[N+](=CC=C2)[O-]","IQDCMHOWMOVXQT-JLHYYAGUSA-N",6399313,NA,"PDBC44837","633264","Present",NA,NA
+"44838","NSC633265",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633265",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=N[N+](=CC=C2)[O-]","NIYVXGKMCFCMBB-SDNWHVSQSA-N",6399314,NA,"PDBC44838","633265","Present",NA,NA
+"44839","NSC633266",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633266",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)NN=C(C)C2=N[N+](=CC=C2)[O-])C","AUWDZKJNJNBFAD-DTQAZKPQSA-N",6399315,NA,"PDBC44839","633266","Present",NA,NA
+"44840","NSC633267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633267",NA,"CC(=NNS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C2=N[N+](=CC=C2)[O-]","YYCPWJDTMANMDX-UKTHLTGXSA-N",6399316,NA,"PDBC44840","633267","Present",NA,NA
+"44841","NSC633392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633392",NA,"C1=CC=C2C(=C1)C(=CC=N2)C=C(C#N)C(=C(C#N)C#N)N","WUHQDOPBKHBJIG-GHXNOFRVSA-N",5388193,NA,"PDBC44841","633392","Present",NA,NA
+"44842","NSC633478",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633478",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=C(C=C8)F)C(=O)N(C6=O)C9=CC=C(C=C9)F","CFZUZBDILNXKNI-ICMUNRSGSA-N",365624,NA,"PDBC44842","633478","Present",NA,NA
+"44843","NSC633479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633479",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5(C6C(C42C7C5C(=O)N(C7=O)C8=CC=C(C=C8)Br)C(=O)N(C6=O)C9=CC=C(C=C9)Br)[N+](=O)[O-]","ZTLOLDGPZRPSSH-ULZJPGSCSA-N",365625,NA,"PDBC44843","633479","Present",NA,NA
+"44844","NSC633481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633481",NA,"CCCC1(C(=NO)C(N(C1=O)O)(C)C=CC)C","DJKXSIULBUPHMY-POGDJVRHSA-N",6477071,NA,"PDBC44844","633481","Present",NA,NA
+"44845","NSC633482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633482",NA,"CC(C)CC1(C(=NO)C(N(C1=O)O)(C)C=C(C)C)C","RHQKMXIYPDCIJI-PTNGSMBKSA-N",5481309,NA,"PDBC44845","633482","Present",NA,NA
+"44846","NSC633487",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633487",NA,"CC1=CC2=C(C=C1)C(=C(N2)C)C3CC4=CC=CC=C4N3C(=O)C=CC(=O)O","ICPQBEJQAPCPHR-KTKRTIGZSA-N",5388206,NA,"PDBC44846","633487","Present",NA,NA
+"44847","NSC633526",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633526",NA,"CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCN4CCN(CC4)C5=CC=CC=C5.Cl","CPXLOTJOCRUWQY-UHFFFAOYSA-N",365673,NA,"PDBC44847","633526","Present",NA,NA
+"44848","NSC633528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633528",NA,"CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN(C)C","DXQJZBCFXAFMAA-UHFFFAOYSA-N",365675,NA,"PDBC44848","633528","Present",NA,NA
+"44849","NSC633533",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633533",NA,"C1CCN2CN3CCC4=C(C3C2C1)NC5=CC=CC=C45","JZUJEEJLBUKNDP-OMOCHNIRSA-N",365680,NA,"PDBC44849","633533","Present",NA,NA
+"44850","NSC633534",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633534",NA,"CCC1N2CCCCC2C3N1CCC4=C3NC5=CC=CC=C45","WETNQTVELGGQDM-FAFZWHIHSA-N",365681,NA,"PDBC44850","633534","Present",NA,NA
+"44851","NSC633535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633535",NA,"CCCC1N2CCCCC2C3N1CCC4=C3NC5=CC=CC=C45","VZHGEXFEHRBJJW-AFMYVXGZSA-N",365682,NA,"PDBC44851","633535","Present",NA,NA
+"44852","NSC633536",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633536",NA,"CC(C)C1N2CCCCC2C3N1CCC4=C3NC5=CC=CC=C45","KAPLWYIKWWQMQW-SKINQDTJSA-N",365683,NA,"PDBC44852","633536","Present",NA,NA
+"44853","NSC633537",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633537",NA,"C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=C5)C6=CC=CC=C6N4","IVCBTXQYHREPNE-GTMAMOSYSA-N",365684,NA,"PDBC44853","633537","Present",NA,NA
+"44854","NSC633538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633538",NA,"C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=C5Cl)C6=CC=CC=C6N4","DEZWKIQYIZDMDY-GTMAMOSYSA-N",365685,NA,"PDBC44854","633538","Present",NA,NA
+"44855","NSC633539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633539",NA,"C1CCN2C(C1)C3C4=C(CCN3C2C5=CC(=CC=C5)Cl)C6=CC=CC=C6N4","KFFHAHIXCYVGIC-GTMAMOSYSA-N",365686,NA,"PDBC44855","633539","Present",NA,NA
+"44856","NSC633540",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633540",NA,"C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=C(C=C5)Cl)C6=CC=CC=C6N4","LVRGUQOBRYEEEZ-GTMAMOSYSA-N",365687,NA,"PDBC44856","633540","Present",NA,NA
+"44857","NSC633542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633542",NA,"C1CCN2C(C1)C3C4=C(CCN3C2C5=CC(=CC=C5)[N+](=O)[O-])C6=CC=CC=C6N4","IFTOJBGVZHGMAL-GTMAMOSYSA-N",365689,NA,"PDBC44857","633542","Present",NA,NA
+"44858","NSC633543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633543",NA,"C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6N4","ZQHNQGAJGJRLCF-GTMAMOSYSA-N",365690,NA,"PDBC44858","633543","Present",NA,NA
+"44859","NSC633544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633544",NA,"CCN(CC)C1=CC=C(C=C1)C2N3CCCCC3C4N2CCC5=C4NC6=CC=CC=C56","HGNUXCZTXYRJAG-HHZPJPPKSA-N",365691,NA,"PDBC44859","633544","Present",NA,NA
+"44860","NSC633545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633545",NA,"COC1=CC=CC(=C1OC)C2N3CCCCC3C4N2CCC5=C4NC6=CC=CC=C56","UGEUDCCVECRBFX-JKJRPBHFSA-N",365692,NA,"PDBC44860","633545","Present",NA,NA
+"44861","NSC633546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633546",NA,"COC1=CC(=C(C=C1)C2N3CCCCC3C4N2CCC5=C4NC6=CC=CC=C56)OC","OPAURFWSUNCBPO-OOAAYMRMSA-N",365693,NA,"PDBC44861","633546","Present",NA,NA
+"44862","NSC633547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633547",NA,"C1CCN2C(C1)C3C4=C(CCN3C2C5=CC=CC=N5)C6=CC=CC=C6N4","VZXICYSIGYOTKX-NJEKYYFSSA-N",365694,NA,"PDBC44862","633547","Present",NA,NA
+"44863","NSC633548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633548",NA,"C1CCN2C(C1)C3C4=C(CCN3C2C5=CN=CC=C5)C6=CC=CC=C6N4","UNYHVNRWJOVJSI-NJEKYYFSSA-N",365695,NA,"PDBC44863","633548","Present",NA,NA
+"44864","NSC633549",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633549",NA,"CC1=CC=C(C=C1)[N-]C=NC2=CC=C(C=C2)C.CC1=CC=C(C=C1)[N-]C=NC2=CC=C(C=C2)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[OH3+].[OH3+].[Rh+2].[Rh+2]","MEAYMXOPHWUSCH-UHFFFAOYSA-N",24202228,NA,"PDBC44864","633549","Present",NA,NA
+"44865","NSC633641",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633641",NA,NA,NA,NA,NA,"PDBC44865","633641","Present",NA,NA
+"44866","NSC633842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633842",NA,"CNCC1=C(C=CC(=C1)OC)C2=C(C(=C(C=C2)OC)OC)OC.Cl","VJAWMVYVXHQERY-UHFFFAOYSA-N",365769,NA,"PDBC44866","633842","Present",NA,NA
+"44867","NSC633917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633917",NA,"CC(=NO)CCN1C(=O)C=CC(=O)N1.Cl","XLDITBJZVCYPET-AAGWESIMSA-N",9570026,NA,"PDBC44867","633917","Present",NA,NA
+"44868","NSC633932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633932",NA,"CCOC(=O)C1C(=NC(=NC(=N)N[N+](=O)[O-])S1)C","BQIQGRUZQOXCRZ-FLIBITNWSA-N",135439990,NA,"PDBC44868","633932","Present",NA,NA
+"44869","NSC633942",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633942",NA,"C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC(=CC=C4)[N+](=O)[O-])S3","XBMKPBKZDSJTCY-ZROIWOOFSA-N",5388227,NA,"PDBC44869","633942","Present",NA,NA
+"44870","NSC633946",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633946",NA,"CCOC(=O)CC1=NC(=NC(=N)N[N+](=O)[O-])SC1","WUCPQBUAPFLDQO-FLIBITNWSA-N",135439991,NA,"PDBC44870","633946","Present",NA,NA
+"44871","NSC633963",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633963",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","UBVPVXFJUBGCCL-UHFFFAOYSA-N",365885,NA,"PDBC44871","633963","Present",NA,NA
+"44872","NSC633964",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633964",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","JUGYBOCTRNVFSG-UHFFFAOYSA-N",365887,NA,"PDBC44872","633964","Present",NA,NA
+"44873","NSC633985",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC633985",NA,"CC1(OCC(O1)C2C(C(=O)N2C3=CC=C(C=C3)OC)N=[N+]=[N-])C","VDKDFDANZWORNP-AGIUHOORSA-N",6711643,NA,"PDBC44873","633985","Present",NA,NA
+"44874","NSC634036",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634036",NA,"C1=C(C2=C(N1C3C(C(C(O3)CO)O)O)C(=O)NN=C2N)Br","ATWFHNRKSLRLLA-UHFFFAOYSA-N",365914,NA,"PDBC44874","634036","Present",NA,NA
+"44875","NSC634037",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634037",NA,"C1=C2C(=C(N=N1)N)C(=CN2C3C(C(C(O3)CO)O)O)Br","AFOWYBXSFOGRKR-UHFFFAOYSA-N",365915,NA,"PDBC44875","634037","Present",NA,NA
+"44876","NSC634040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634040",NA,"CC1CCC2C(COC3C24C1CCC(O3)(OO4)C)C","BOQMASYCUFVXCR-PNFXGDSFSA-N",365918,NA,"PDBC44876","634040","Present",NA,NA
+"44877","NSC634161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634161",NA,"C1C(=CC2=CC=C(C=C2)C=C3CC(=O)N(C3=O)C4=CC(=CC=C4)Br)C(=O)N(C1=O)C5=CC(=CC=C5)Br","DNEWVCBAGDZJJM-YZLQMOBTSA-N",5388257,NA,"PDBC44877","634161","Present",NA,NA
+"44878","NSC634163",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634163",NA,"C=CCNC(=O)C=CC(=O)O","SZYZSIWKJQRNIE-ARJAWSKDSA-N",1551409,NA,"PDBC44878","634163","Present",NA,NA
+"44879","NSC634167",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634167",NA,"CC(C)(C)C1=CC2=C(C=CC(=C2)OC)S(=O)(=O)N1","AHZHQTOOJVAMJU-UHFFFAOYSA-N",6711649,NA,"PDBC44879","634167","Present",NA,NA
+"44880","NSC634169",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634169",NA,NA,NA,NA,NA,"PDBC44880","634169","Present",NA,NA
+"44881","NSC634170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634170",NA,NA,NA,NA,NA,"PDBC44881","634170","Present",NA,NA
+"44882","NSC634173",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634173",NA,NA,NA,NA,NA,"PDBC44882","634173","Present",NA,NA
+"44883","NSC634190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634190",NA,"C1COC(=O)C1=C(C2=CC=CC=C2N)O","DPYSYUVOUGVWBV-CSKARUKUSA-N",54695451,NA,"PDBC44883","634190","Present",NA,NA
+"44884","NSC634191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634191",NA,"CC(C)(C)C1=CC2=CC3=C(C=C2C(=O)N1)S(=O)(=O)NC(=C3)C(C)(C)C","YSDKPERPANVMJB-UHFFFAOYSA-N",6711652,NA,"PDBC44884","634191","Present",NA,NA
+"44885","NSC634192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634192",NA,"CC(C)(C)C1=CC2=CC(=C(C=C2S(=O)(=O)N1)C(=O)O)CC(=O)C(C)(C)C","CBLGMKJWLSLWJF-UHFFFAOYSA-N",6711653,NA,"PDBC44885","634192","Present",NA,NA
+"44886","NSC634227",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634227",NA,"C#CC1=CC(=CC=C1)NC(=O)C=CC(=O)O","KYXCLGDXZKCWBH-SREVYHEPSA-N",5388260,NA,"PDBC44886","634227","Present",NA,NA
+"44887","NSC634233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634233",NA,"C1=CC=C(C=C1)C(CC=CC(=O)NC2=CC=CC=C2Cl)(C3=CC=CC=C3)O","GVPXIZOZMQZOGX-CXUHLZMHSA-N",5388261,NA,"PDBC44887","634233","Present",NA,NA
+"44888","NSC634602",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634602",NA,"CC(C)C1=CC(=C(C=C1)O)CC2=CC(=CC(=C2O)CC3=C(C=CC(=C3)C(C)C)O)C(C)C","YQERQEMYOWRTEC-UHFFFAOYSA-N",366254,NA,"PDBC44888","634602","Present",NA,NA
+"44889","NSC634621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634621",NA,"CCN(CC)C1=C(C(=NN(C1=O)C)C2=CC=CC=C2)C(=O)C=CC3=CC=CC=C3","FVVVAESUPUISCI-WUKNDPDISA-N",5911335,NA,"PDBC44889","634621","Present",NA,NA
+"44890","NSC634622",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634622",NA,"CCN(CC)C1=C(C(=NN(C1=O)C)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)OC","NRCHFRUUJIMWCJ-SAPNQHFASA-N",5930607,NA,"PDBC44890","634622","Present",NA,NA
+"44891","NSC634623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634623",NA,"CCN(CC)C1=C(C(=NN(C1=O)C)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl","CKNAMVAAAUPELN-DTQAZKPQSA-N",6052983,NA,"PDBC44891","634623","Present",NA,NA
+"44892","NSC634624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634624",NA,"CCN(CC)C1=C(C(=NN(C1=O)C)C2=CC=CC=C2)C(=O)C=CC3=CC=C(C=C3)F","IRIIFCWHPQYNNV-DTQAZKPQSA-N",6270288,NA,"PDBC44892","634624","Present",NA,NA
+"44893","NSC634659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634659",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NNC(=O)C[N+]3=CC=CC=C3)C(=O)NC4=CC=CC=C4.[Cl-]","KZNCLGJZNSEEDG-UHFFFAOYSA-N",5479821,NA,"PDBC44893","634659","Present",NA,NA
+"44894","NSC634664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634664",NA,"CC1=CC=C(C=C1)NC(=O)C(=NNC(=O)C[N+]2=CC=CC=C2)CC(=O)C3=C[N+](=O)C4=CC=CC=C4N3[O-].[Cl-]","CSYDTUCHFQEIHU-UHFFFAOYSA-N",5479824,NA,"PDBC44894","634664","Present",NA,NA
+"44895","NSC634668",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634668",NA,"CCC1=CC=CC=C1NC(=O)C(=NNS(=O)(=O)C2=CC=C(C=C2)C)CC(=O)C3=C(N(C4=CC=CC=C4[N+]3=O)[O-])C","KEUYJKKLYMVQHO-WMMMYUQOSA-N",5479826,NA,"PDBC44895","634668","Present",NA,NA
+"44896","NSC634669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634669",NA,"CC1=C([N+](=O)C2=C(N1[O-])C=CC(=C2)OC)C(=O)CC(=NOCCCC3=CC=CC=C3)C(=O)NC45CC6CC(C4)CC(C6)C5","URFXYOWSZSPHDX-LSWMGQQCSA-N",5479827,NA,"PDBC44896","634669","Present",NA,NA
+"44897","NSC634670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634670",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)CC(=NNC(=O)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl","NBAIAFKNZRMVIZ-BRPDVVIDSA-N",5479828,NA,"PDBC44897","634670","Present",NA,NA
+"44898","NSC634673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634673",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=NOCCCC2=CC=CC=C2)CC(=O)C3=C[N+](=O)C4=CC=CC=C4N3[O-]","AZLCZVMWAAIKJA-QLTSDVKISA-N",5479829,NA,"PDBC44898","634673","Present",NA,NA
+"44899","NSC634674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634674",NA,"CC1=C(C(=CC=C1)NC(=O)C(=NNC(=O)C[N+](C)(C)C)CC(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)OC)[O-])C)C.[Cl-]","RSVOWFJSBRRLDC-UHFFFAOYSA-N",5479830,NA,"PDBC44899","634674","Present",NA,NA
+"44900","NSC634675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634675",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C)C(=O)NC4=CC=CC=C4C","JVDDEAXRLACPPK-IADYIPOJSA-N",5479832,NA,"PDBC44900","634675","Present",NA,NA
+"44901","NSC634677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634677",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(CC(=O)C2=C(N(C3=CC=CC=C3[N+]2=O)[O-])C)C(=O)NC4=CC(=C(C=C4)C)C","UVNNTGSWYKTIGN-WMMMYUQOSA-N",5479833,NA,"PDBC44901","634677","Present",NA,NA
+"44902","NSC634736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634736",NA,"C1=CC=C2C(=C1)C3=CC4=C(C=C3C2=NN)C(=NN)C5=CC=CC=C54","VCWMEMPTAIXINL-BLVCXSLXSA-N",9570030,NA,"PDBC44902","634736","Present",NA,NA
+"44903","NSC634738",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634738",NA,"CC12CC(CC(O1)(OC2)C)S(=O)(=O)C3=CC=CC=C3","GOIBHWFIEDHFHI-JXQTWKCFSA-N",366362,NA,"PDBC44903","634738","Present",NA,NA
+"44904","NSC634763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634763",NA,"CN(C(=O)N(CCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)N)N=O","KDJWSPQEDIGCNB-UHFFFAOYSA-N",366394,NA,"PDBC44904","634763","Present",NA,NA
+"44905","NSC634767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634767",NA,"C#CCN(C(=O)NCCCCC(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)N=O","GGYJNTBHBHANPL-UHFFFAOYSA-N",366398,NA,"PDBC44905","634767","Present",NA,NA
+"44906","NSC634769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634769",NA,"C#CCN(C(=O)NC(CCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=O","FGVGFAJZGIGPRM-UHFFFAOYSA-N",366400,NA,"PDBC44906","634769","Present",NA,NA
+"44907","NSC634780",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634780",NA,"C1CC(C(=NO)C(=CC2=CC=C(C=C2)Br)C1)C(C3=CC=C(C=C3)Br)NO","PKRYAXQEHSGSEJ-VTWWSLAJSA-N",6051723,NA,"PDBC44907","634780","Present",NA,NA
+"44908","NSC634782",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634782",NA,"COC1=CC=C(C=C1)C=C2CCCCC2=NO","YKKUXOGVLHUDNF-CWXQJLEJSA-N",6477085,NA,"PDBC44908","634782","Present",NA,NA
+"44909","NSC634783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634783",NA,"C1CCC(=NNC(=S)N)C(=CC2=CC=CC=C2)C1","FPXMOZPLGOOXJA-XBKMVRDJSA-N",9554720,NA,"PDBC44909","634783","Present",NA,NA
+"44910","NSC634787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634787",NA,"CN(C)CCC(=NNC1=CC=C(C=C1)Cl)C=CC2=CC=CC=C2.Cl","CTDADHMWUJWJCJ-DOKGIRCESA-N",9570037,NA,"PDBC44910","634787","Present",NA,NA
+"44911","NSC634790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634790",NA,"C1CC(=CC2=CC=CC=C2)C(=NNC3=CC=CC=C3)C(=CC4=CC=CC=C4)C1","QQRAQEBHQRSEGT-SRPFLQSCSA-N",54601835,NA,"PDBC44911","634790","Present",NA,NA
+"44912","NSC634800",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634800",NA,"CN(C)CCCOC1=CC=C(C=C1)C=C2CCCC(=CC3=CC=C(C=C3)OCCCN(C)C)C2=O","GLNLAJVNRGWNEM-VDUNRZOZSA-N",6374645,NA,"PDBC44912","634800","Present",NA,NA
+"44913","NSC634997",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634997",NA,NA,NA,NA,NA,"PDBC44913","634997","Present",NA,NA
+"44914","NSC634998",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634998",NA,NA,NA,NA,NA,"PDBC44914","634998","Present",NA,NA
+"44915","NSC634999",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634999",NA,NA,NA,NA,NA,"PDBC44915","634999","Present",NA,NA
+"44916","NSC635000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635000",NA,NA,NA,NA,NA,"PDBC44916","635000","Present",NA,NA
+"44917","NSC635001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635001",NA,NA,NA,NA,NA,"PDBC44917","635001","Present",NA,NA
+"44918","NSC635002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635002",NA,NA,NA,NA,NA,"PDBC44918","635002","Present",NA,NA
+"44919","NSC635076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635076",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(N)N)C)NC(=O)CCCCCCCCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","XKTHFKFKDMNGEL-UHFFFAOYSA-N",366499,NA,"PDBC44919","635076","Present",NA,NA
+"44920","NSC635119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635119",NA,"CC1=C(C=CC(=C1)Cl)N2C(=O)C(=NNC(=O)C3=CC=CC=C3O)C(C(=O)C2=O)C4=NC5=CC=CC=C5S4","ZDASDVIFAVOURF-XHLNEMQHSA-N",5479899,NA,"PDBC44920","635119","Present",NA,NA
+"44921","NSC635128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635128",NA,"C1=CC=C2C(=C1)N=C(S2)C3C(=NN)C(=O)N(C(=O)C3=O)C4=CC=C(C=C4)Cl","ZEWKEPCUNIRPFL-HYARGMPZSA-N",5465096,NA,"PDBC44921","635128","Present",NA,NA
+"44922","NSC635318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635318",NA,"CC1=NN=C(N1N)NN=C(C(C#N)C2=CC=C(C=C2)Cl)C(=O)C(C#N)C3=CC=C(C=C3)Cl","UMISVUAVIQYMBX-TURZUDJPSA-N",5465097,NA,"PDBC44922","635318","Present",NA,NA
+"44923","NSC635332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635332",NA,"C1=CC=C(C=C1)C(C#N)C(=NNC(=O)C2=CC=CC=C2O)C(=O)C(C#N)C3=CC=CC=C3","RHYLKAKIUJIVPI-WEMUOSSPSA-N",5465098,NA,"PDBC44923","635332","Present",NA,NA
+"44924","NSC635333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635333",NA,"CC1=CC2=NC3=C(C=CC(=C3N=C2C=C1C)C(=NNC(=O)C4=CC=CC=C4O)C)C(=NNC(=O)C5=CC=CC=C5O)C","MTNKZUCOJMPPED-ZIVFCYQMSA-N",5479901,NA,"PDBC44924","635333","Present",NA,NA
+"44925","NSC635335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635335",NA,"C1=CC(=CC=C1C(C#N)C(=NO)C(=NO)C(C#N)C2=CC=C(C=C2)Cl)Cl","SAYXXJMIMHHQDN-QFFDILLMSA-N",135510120,NA,"PDBC44925","635335","Present",NA,NA
+"44926","NSC635341",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635341",NA,"C1=CC(=CC=C1C(C#N)C(=NN)C(=O)C(C#N)C2=CC=C(C=C2)Cl)Cl","WZZDCVFKWCYXCM-JJIBRWJFSA-N",5870095,NA,"PDBC44926","635341","Present",NA,NA
+"44927","NSC635402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635402",NA,"C1=CC=C(C(=C1)C(=O)NN=C(C(C#N)C2=CC=C(C=C2)Cl)C(=O)C(C#N)C3=CC=C(C=C3)Cl)O","NSESCDYZPCIYJX-JJKYIXSRSA-N",5465099,NA,"PDBC44927","635402","Present",NA,NA
+"44928","NSC635414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635414",NA,"CC1=NN=C(N1N)NN=C(C(C#N)C2=CC=CC=C2)C(=O)C(C#N)C3=CC=CC=C3","OROQZDLZGXKLEF-LGUFXXKBSA-N",5465100,NA,"PDBC44928","635414","Present",NA,NA
+"44929","NSC635420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635420",NA,"CC1C(=C(N=C(C1=C(C)NNC(=O)C2=CC=CC=C2O)C)C)C(=NNC(=O)C3=CC=CC=C3O)C","MTVLBEWRQNKOLU-NEYZOSMHSA-N",9570047,NA,"PDBC44929","635420","Present",NA,NA
+"44930","NSC635439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635439",NA,"C1=CC(=CC=C1C(C#N)C(=NNC(=S)N)C(=NNC(=S)N)C(C#N)C2=CC=C(C=C2)Cl)Cl","UXUWNIAETPUALY-HJVIKEODSA-N",6399927,NA,"PDBC44930","635439","Present",NA,NA
+"44931","NSC635445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635445",NA,"C1=CC=C(C=C1)C(C#N)C(=NNC2=NC(=S)NN2N)C(=O)C(C#N)C3=CC=CC=C3","GQWCRHUVCJUWCU-KOEQRZSOSA-N",5465101,NA,"PDBC44931","635445","Present",NA,NA
+"44932","NSC635447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635447",NA,NA,NA,NA,NA,"PDBC44932","635447","Present",NA,NA
+"44933","NSC635456",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635456",NA,"C1C(C(C(C1N2C=CC(=NC2=O)N)O)O)CO","UAZJPMMKWBPACD-UHFFFAOYSA-N",366734,NA,"PDBC44933","635456","Present",NA,NA
+"44934","NSC635529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635529",NA,"C1=CC=C2C(=C1)NC(=O)C(=C(C(=O)NC3=C(C=C(C=C3)Cl)Cl)Cl)S2","GVEAUJUYJNAZHM-YPKPFQOOSA-N",5388383,NA,"PDBC44934","635529","Present",NA,NA
+"44935","NSC635531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635531",NA,"CC(C)C1=CC=CC=C1NC(=O)C(=C2C(=O)NC3=CC=CC=C3S2)Cl","UJCGRLYBRZEXSH-MSUUIHNZSA-N",5388384,NA,"PDBC44935","635531","Present",NA,NA
+"44936","NSC635537",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635537",NA,"CC1=CC2=C(C=C1C)[N+](=O)C=C(N2[O-])C(=O)CC(=NNC(=S)NN)C(=O)NC3=CC=CC(=C3)C(F)(F)F","RKELGPLRKXZWSF-FDVSRXAVSA-N",5479834,NA,"PDBC44936","635537","Present",NA,NA
+"44937","NSC635546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635546",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=NNC(=O)C3=CC=CC=C3O)C(=O)NC4=CC=CC=C4C(C)C","QKDASCNIGLWEOY-GIBOGKFOSA-N",5479835,NA,"PDBC44937","635546","Present",NA,NA
+"44938","NSC635552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635552",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=NOCCCC3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)Cl)Cl","YFRWWXADKVLGFE-NQUVTRGKSA-N",5479929,NA,"PDBC44938","635552","Present",NA,NA
+"44939","NSC635554",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635554",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)CC(=NNC(=O)CC#N)C(=O)NC3=CC=CC=C3C(F)(F)F","MRFLFIXNYCTIQR-MNBJERMJSA-N",5479785,NA,"PDBC44939","635554","Present",NA,NA
+"44940","NSC635689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635689",NA,"CC1=C(C(CC(C1=O)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)C(CC2(C)C)O)C)C)C","MQZIGYBFDRPAKN-QISQUURKSA-N",5368397,NA,"PDBC44940","635689","Present",NA,NA
+"44941","NSC635691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635691",NA,"CCC1=C(C(=NC1=O)C=C2C(=C(C(=CC3=C(C(=C(N3)C=C4C(=CC)C(C(=O)N4)C)C)CCC(=O)O)N2)CCC(=O)O)C)C","NNMALANKTSRILL-UZUAPGSDSA-N",11606751,NA,"PDBC44941","635691","Present",NA,NA
+"44942","NSC635922",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635922",NA,"CCN(CC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C3=NC4=CC=CN(C4=N3)C.I","ZGBKFUFOIBDFHZ-UHFFFAOYSA-N",366879,NA,"PDBC44942","635922","Present",NA,NA
+"44943","NSC635924",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635924",NA,"CCOC(=O)C=C1C(C2=CC=CC=C2O1)(C)O","SBRZYYWEKHKJJN-DHZHZOJOSA-N",5388415,NA,"PDBC44943","635924","Present",NA,NA
+"44944","NSC635926",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635926",NA,"CN(C)CC1=C(C=CC(=C1)C(=C(C#N)C2=CC=CC=C2)C3=CC=C(C=C3)O)O","KQGLCODZMVWSNL-ZNTNEXAZSA-N",5388416,NA,"PDBC44944","635926","Present",NA,NA
+"44945","NSC635927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635927",NA,"COC1C2=C(C1(C3=C(C=C(C=C3)OC)OC)O)C(=C(C=C2)O)OC","LDKDGBBDRXCETJ-QZTJIDSGSA-N",6711672,NA,"PDBC44945","635927","Present",NA,NA
+"44946","NSC635928",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635928",NA,"COC1C2=C(C1(C3=C(C(=CC=C3)OC)OC)O)C(=C(C=C2)O)OC","PHUOAQQAHCHIFN-QZTJIDSGSA-N",6711673,NA,"PDBC44946","635928","Present",NA,NA
+"44947","NSC635932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635932",NA,"C1=CSC(=C1)C(=O)C2=C(C(=C3C(=C2)C(=O)C=C(O3)C(=O)O)Cl)Cl.[Na+]","SPHTWMBMGSLUIX-UHFFFAOYSA-N",54598724,NA,"PDBC44947","635932","Present",NA,NA
+"44948","NSC635954",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635954",NA,"C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=C(C=C(C=C3)Cl)Cl","DFKKJKLEGKUZNZ-FLIBITNWSA-N",5388419,NA,"PDBC44948","635954","Present",NA,NA
+"44949","NSC635955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635955",NA,"C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC=C(C=C3)Br","SMKOZOJSIIZLHV-RAXLEYEMSA-N",5388420,NA,"PDBC44949","635955","Present",NA,NA
+"44950","NSC635956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635956",NA,"C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC=C(C=C3)F","VSYDYSJJUIIIPF-RAXLEYEMSA-N",5388421,NA,"PDBC44950","635956","Present",NA,NA
+"44951","NSC635966",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635966",NA,"C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC=CS3","VEBMVKFCWFEXEK-KHPPLWFESA-N",5388431,NA,"PDBC44951","635966","Present",NA,NA
+"44952","NSC635970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635970",NA,"C1=NC(=C2C(=N1)N(C=N2)C(C=NNC(=S)N)OC(CO)C=NNC(=S)N)N","QAUMNRBFIINKFS-LHTUAUGQSA-N",11969918,NA,"PDBC44952","635970","Present",NA,NA
+"44953","NSC636094",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636094",NA,"CCOC(=O)C(=C(C(=CC1=CC=CC=C1Cl)NC(=O)C2=CC=CC=C2)O)C#N","CACCUOTYGLYOLP-VZZSTEPBSA-N",54679379,NA,"PDBC44953","636094","Present",NA,NA
+"44954","NSC636096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636096",NA,"CCOC(=O)C(=C(C(=CC1=CC=C(C=C1)Br)NC(=O)C2=CC=CC=C2)O)C#N","SNAJJOCSGOXFJZ-LFQOXGNUSA-N",54679380,NA,"PDBC44954","636096","Present",NA,NA
+"44955","NSC636099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636099",NA,"C1C2CC3CC1CC(C2)C3NC(=O)C(=C4C(=O)NC5=CC=CC=C5S4)Cl","VSRUGCAIVWHLGG-VLGSPTGOSA-N",5388437,NA,"PDBC44955","636099","Present",NA,NA
+"44956","NSC636124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636124",NA,"COC1=CC=CC(=C1O)C=C2C(=O)OC(=N2)Cl","DXKPCTNYZIXTET-ALCCZGGFSA-N",5388442,NA,"PDBC44956","636124","Present",NA,NA
+"44957","NSC636140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636140",NA,"CC1=C(C=C(C=C1)NC(=O)C2C(=NO)C(=O)N(C2=O)C3=CC(=C(C=C3)C)C)C","LKAMYLCSGPMDKS-PTGBLXJZSA-N",6399320,NA,"PDBC44957","636140","Present",NA,NA
+"44958","NSC636153",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636153",NA,"C#CCN(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)N=O","HYLVZGGUGPQKBU-UHFFFAOYSA-N",366983,NA,"PDBC44958","636153","Present",NA,NA
+"44959","NSC636333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636333",NA,"C1=CC(=C(C(=C1)Cl)OC2=C(C(=O)OC2O)Cl)Cl.Cl","GYLRZQLFOKNSEB-UHFFFAOYSA-N",367005,NA,"PDBC44959","636333","Present",NA,NA
+"44960","NSC636336",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636336",NA,"C1=CC(=CC=C1NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","POHYPWCIOBZDHW-UHFFFAOYSA-N",367009,NA,"PDBC44960","636336","Present",NA,NA
+"44961","NSC636358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636358",NA,"COC(=O)C(=C1CCC2=CC=CC=C21)C#N","ODQZYGFFVQHIMJ-VAWYXSNFSA-N",5388446,NA,"PDBC44961","636358","Present",NA,NA
+"44962","NSC636373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636373",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C=C2C(NC3=C(N2)C=CC(=C3)[N+](=O)[O-])O","KMUNZQOCLSFPQQ-RIYZIHGNSA-N",5388448,NA,"PDBC44962","636373","Present",NA,NA
+"44963","NSC636433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636433",NA,"C1=CC=C(C=C1)C(=CC2=CC(=CC=C2)C#N)C(=O)C3=CC=CC=C3","MXHROFBPTBYFLW-RCCKNPSSSA-N",5388482,NA,"PDBC44963","636433","Present",NA,NA
+"44964","NSC636434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636434",NA,"C1=CC=C(C=C1)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3","OBOJHUWHVNHVFZ-HMMYKYKNSA-N",5388483,NA,"PDBC44964","636434","Present",NA,NA
+"44965","NSC636435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636435",NA,"CCOC(=O)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2","UUMNFCINEMNNGB-FOWTUZBSSA-N",5388484,NA,"PDBC44965","636435","Present",NA,NA
+"44966","NSC636436",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636436",NA,"C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3","JTRQEDPFEOMATD-HMMYKYKNSA-N",5388485,NA,"PDBC44966","636436","Present",NA,NA
+"44967","NSC636502",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636502",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=C(C=C8)Cl)C(=O)N(C6=O)C9=CC=C(C=C9)Cl","FMCKIWAHGNISGE-LKJQOOIXSA-N",367115,NA,"PDBC44967","636502","Present",NA,NA
+"44968","NSC636503",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636503",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=C(C=C8)Br)C(=O)N(C6=O)C9=CC=C(C=C9)Br","NWXKQGFDMYLZCU-LKJQOOIXSA-N",367116,NA,"PDBC44968","636503","Present",NA,NA
+"44969","NSC636504",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636504",NA,"COC1=CC=CC(=C1)N2C(=O)C3C4C=C5C6=CC=CC=C6N(C5(C3C2=O)C7C4C(=O)N(C7=O)C8=CC(=CC=C8)OC)C9=CC=CC=C9","RJGUIYSBPXYDKL-XTIUPARGSA-N",367117,NA,"PDBC44969","636504","Present",NA,NA
+"44970","NSC636505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636505",NA,"CN1C(=O)C2C3C=C4C5=CC=CC=C5N(C4(C2C1=O)C6C3C(=O)N(C6=O)C)C7=CC=CC=C7","ZCADSLFEKHCKLE-XLXKIOCZSA-N",367118,NA,"PDBC44970","636505","Present",NA,NA
+"44971","NSC636507",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636507",NA,"CC1=C2C(=CC=C1)CC(N2C(=O)C=CC(=O)O)C3=C(NC4=CC=CC=C43)C","DTNZRPUSXRQORW-KHPPLWFESA-N",5388494,NA,"PDBC44971","636507","Present",NA,NA
+"44972","NSC636598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636598",NA,NA,NA,NA,NA,"PDBC44972","636598","Present",NA,NA
+"44973","NSC636677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636677",NA,"C[N+]1(CC(=CC2=CC=C(C=C2)O)C(=O)C(=CC3=CC=C(C=C3)O)C1)C.[I-]","DDKVAMNBVMNGKI-UHFFFAOYSA-N",24202291,NA,"PDBC44973","636677","Present",NA,NA
+"44974","NSC636679",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636679",NA,"C[N+]1(CC(=CC=CC2=CC=CC=C2)C(=O)C(=CC=CC3=CC=CC=C3)C1)C.[I-]","NYHMWZQHLDWHCC-LRAPVWKRSA-M",24202292,NA,"PDBC44974","636679","Present",NA,NA
+"44975","NSC636682",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636682",NA,"C1CC(=CC2=CC3=C(C=C2)OCCO3)C(=O)C(=CC4=CC5=C(C=C4)OCCO5)C1","ULFBIHLWIVBRDI-KLCVKJMQSA-N",5911015,NA,"PDBC44975","636682","Present",NA,NA
+"44976","NSC636718",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636718",NA,"COC1=CC=CC(=C1)C=C2CCC3=CC=CC=C3C2=O","BFLYDBJQMZPJGI-RVDMUPIBSA-N",1549210,NA,"PDBC44976","636718","Present",NA,NA
+"44977","NSC636792",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636792",NA,"CN(C)C1=CC=C(C=C1)C=C(C2=NC3=C(N2)C=C(C=C3)Cl)NC(=O)C4=CC=CC=C4","QIURFMPQSWEFHB-HYARGMPZSA-N",6139722,NA,"PDBC44977","636792","Present",NA,NA
+"44978","NSC636798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636798",NA,"CCOC=C1COC(N1)(C=C)C2=CC=CC=C2Cl","ZASZRIRZCRMUMT-PKNBQFBNSA-N",5937100,NA,"PDBC44978","636798","Present",NA,NA
+"44979","NSC636801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636801",NA,"C1=CC(=CC=C1C(=O)C=CC(=O)O)Cl","VQVQEUFKSRHRCT-WAYWQWQTSA-N",5388534,NA,"PDBC44979","636801","Present",NA,NA
+"44980","NSC636853",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636853",NA,NA,NA,NA,NA,"PDBC44980","636853","Present",NA,NA
+"44981","NSC636861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636861",NA,"C1=CC=C2C(=C1)C3=C(N2)N4C=CSC4=N3.Cl","SUWQCHXAOICOPE-UHFFFAOYSA-N",367302,NA,"PDBC44981","636861","Present",NA,NA
+"44982","NSC636982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636982",NA,"C1=CC(=CC=C1OC2=C(C(=O)OC2O)Cl)Cl.Cl","QWFFPSKXYSEJTA-UHFFFAOYSA-N",367347,NA,"PDBC44982","636982","Present",NA,NA
+"44983","NSC636983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636983",NA,"C1=CC(=CC=C1C(=O)O)NC(=O)C2C(=O)C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)O","DEEHAUJTGQGDTL-UHFFFAOYSA-N",367349,NA,"PDBC44983","636983","Present",NA,NA
+"44984","NSC636994",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC636994",NA,"C1=CC=C(C=C1)C=CC(=O)NC2C=NC3=C(C=C(C=C3)Cl)NC2=O","LICPWLGCNWVBNL-RMKNXTFCSA-N",5917021,NA,"PDBC44984","636994","Present",NA,NA
+"44985","NSC637033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637033",NA,"C1=CC=C2C(=C1)C(C(C(N2)C#N)O)O","OBJPMGDLUHXDBS-MGRQHWMJSA-N",367372,NA,"PDBC44985","637033","Present",NA,NA
+"44986","NSC637034",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637034",NA,"C1=CC=C2C(=C1)C(C(C(N2)C#N)O)O","OBJPMGDLUHXDBS-HWOCKDDLSA-N",367373,NA,"PDBC44986","637034","Present",NA,NA
+"44987","NSC637035",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637035",NA,"C1=CC=C2C(=C1)C(C(C(N2)CN)O)O","MAHRZOLSQHXKSH-HWOCKDDLSA-N",367374,NA,"PDBC44987","637035","Present",NA,NA
+"44988","NSC637036",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637036",NA,"C1=CC=C2C(=C1)C(C(C(N2)CN)O)O","MAHRZOLSQHXKSH-MGRQHWMJSA-N",367375,NA,"PDBC44988","637036","Present",NA,NA
+"44989","NSC637124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637124",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCC(=N)N)C)NC(=O)CCC(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C.Cl","UHRVFRNRRYAFOQ-UHFFFAOYSA-N",367397,NA,"PDBC44989","637124","Present",NA,NA
+"44990","NSC637185",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637185",NA,"C1=CC(=CC=C1C=CC(=O)C(=O)O)Cl","RVSPZCGKZYTJOA-UTCJRWHESA-N",5388589,NA,"PDBC44990","637185","Present",NA,NA
+"44991","NSC637187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637187",NA,"CC1=NOC(=O)C1=CC2=CC=C(C=C2)[N+](=O)[O-]","BLHMUVYAYXTPCU-UXBLZVDNSA-N",5388591,NA,"PDBC44991","637187","Present",NA,NA
+"44992","NSC637188",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637188",NA,"CC1=NOC(=O)C1=CC2=CC=CC=C2O","WAOBRDOLWISCRM-RMKNXTFCSA-N",135510127,NA,"PDBC44992","637188","Present",NA,NA
+"44993","NSC637201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637201",NA,"CC(=O)NC(=CC1=CC=C(C=C1)CC2=NC3=C(N2)C(=O)C4=CC=CC=C4C3=O)C5=NC6=C(N5)C(=O)C7=CC=CC=C7C6=O","NJKTYQPOGPZXFS-UCQKPKSFSA-N",5388595,NA,"PDBC44993","637201","Present",NA,NA
+"44994","NSC637289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637289",NA,"CCOC(=O)C(=CC1=CC=CC(=C1)C)C(=O)C","ZUQVRBVENDAGKD-LCYFTJDESA-N",5388609,NA,"PDBC44994","637289","Present",NA,NA
+"44995","NSC637291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637291",NA,"CCOC(=O)C(=CC1=CC=C(C=C1)F)C(=O)C","OKJCUOXQWLRDKY-WQLSENKSSA-N",5388610,NA,"PDBC44995","637291","Present",NA,NA
+"44996","NSC637309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637309",NA,"CCOC(=O)C(=CC1=CC=C(C=C1)C#N)C(=O)C","QBLGRAAPADHBOW-JYRVWZFOSA-N",5388617,NA,"PDBC44996","637309","Present",NA,NA
+"44997","NSC637405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637405",NA,"CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NC3=CC(=C(C=C3)Cl)Cl.Cl","IIFHGMUTYJTXMU-UHFFFAOYSA-N",367571,NA,"PDBC44997","637405","Present",NA,NA
+"44998","NSC637437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637437",NA,"CCOC(=O)C1=C(OCC1=NNS(=O)(=O)C2=CC=C(C=C2)C)NC3=CC(=C(C=C3)Cl)Cl","OGDQJXNXYWTZNC-JJIBRWJFSA-N",135510128,NA,"PDBC44998","637437","Present",NA,NA
+"44999","NSC637439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637439",NA,"CCOC1=CC=CC=C1NC(=O)C=C2NC(=O)CS2","LRIDALASTMKSFZ-NTUHNPAUSA-N",5388655,NA,"PDBC44999","637439","Present",NA,NA
+"45000","NSC637443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637443",NA,"CCOC(=O)C1=C(OCC1=NNC(=O)C2=CC=CC=C2O)NC","AEOCSCCUYYINLU-LICLKQGHSA-N",135510129,NA,"PDBC45000","637443","Present",NA,NA
+"45001","NSC637444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637444",NA,"CCOC(=O)C1=C(OCC1=NNC(=O)CC2=CC=CC=C2)NC3=CC=CC=C3","KIGJRDRBHQFHRV-HAVVHWLPSA-N",135510130,NA,"PDBC45001","637444","Present",NA,NA
+"45002","NSC637527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637527",NA,"CN(C)C=NC1=CC=NC(=O)N1.[Na+]","PDCUMRCEZLVPBY-UYTGOYFPSA-N",54608736,NA,"PDBC45002","637527","Present",NA,NA
+"45003","NSC637528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637528",NA,"C1=CC=C(C=C1)C(=O)NC2=NC3=C(C(=O)N2)N=CN3C4C(C(C(O4)CO)O)O","WZKJANWNNBJHRS-UHFFFAOYSA-N",135399363,NA,"PDBC45003","637528","Present",NA,NA
+"45004","NSC637531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637531",NA,"C1=[N+](C2=C(N1CCO)C(=NC(=N2)N)[O-])C3C(C(C(O3)CO)O)O","YPMRJQYICZGMGV-UHFFFAOYSA-N",24202294,NA,"PDBC45004","637531","Present",NA,NA
+"45005","NSC637540",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637540",NA,"CCC(=O)NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)COC(=O)CC)OC(=O)CC)OC(=O)CC","SQABWJHXQJNZQR-UHFFFAOYSA-N",135503475,NA,"PDBC45005","637540","Present",NA,NA
+"45006","NSC637597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637597",NA,"CC1=CC=CC=C1NC(=O)C(CC(C(=NNC(=O)C(=O)N)C)C(=O)NC2=CC=CC=C2C)C(=NNC(=O)C(=O)N)C","IINKYIHLRMWCIR-LLYQNFBTSA-N",5479930,NA,"PDBC45006","637597","Present",NA,NA
+"45007","NSC637611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637611",NA,"CC1=CC=CC=C1NC(=O)C(CC(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)NC3=CC=CC=C3C)C(=NNC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C","PQEXMAVAXNHBGZ-RFSISCEKSA-N",5917500,NA,"PDBC45007","637611","Present",NA,NA
+"45008","NSC637629",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637629",NA,"CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C(CC(C(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C)C(=O)NCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4","XELMHOCIZLVHIW-RFSISCEKSA-N",6277410,NA,"PDBC45008","637629","Present",NA,NA
+"45009","NSC637649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637649",NA,"C1C2C(CN(C2COC(=O)C3=CC=CC=C3)OCC4=CC=CC=C4)OC1=O","ZKFVANLSBTUPBA-KGNCLDLBSA-N",6711691,NA,"PDBC45009","637649","Present",NA,NA
+"45010","NSC637660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637660",NA,"CSC1=NC(=NC(=[N+]2CCOCC2)S1)C3=CC=CC=C3.[I-]","UYXBDMLNPZJQML-UHFFFAOYSA-M",24202295,NA,"PDBC45010","637660","Present",NA,NA
+"45011","NSC637689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637689",NA,"CCOC(=O)C1=C(OCC1=NNC(=O)CC2=CC=CC=C2)NC(C)(C)C","NMNOLMVTRYIUAO-KGENOOAVSA-N",135510133,NA,"PDBC45011","637689","Present",NA,NA
+"45012","NSC637690",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637690",NA,"CCOC(=O)C1=C(OCC1=NNS(=O)(=O)C2=CC=C(C=C2)C)NC3=C(C=C(C=C3)Cl)Cl","KSRKEKMARNDCMG-JJIBRWJFSA-N",135510134,NA,"PDBC45012","637690","Present",NA,NA
+"45013","NSC637800",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637800",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Zr+4]","MHYHDGKGCVXGKM-UHFFFAOYSA-J",54611336,NA,"PDBC45013","637800","Present",NA,NA
+"45014","NSC637803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637803",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])[O-])[O-])S(=O)(=O)[O-].[Na+].[Ti+4]","QPWATJPPNRXQHA-UHFFFAOYSA-J",54608551,NA,"PDBC45014","637803","Present",NA,NA
+"45015","NSC637818",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637818",NA,"CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1SC3=CN=C4C=C(C=CC4=C3NC(C)CCCN(CC)CC)Cl)Cl.Cl","RSBSRNSPXDICNM-UHFFFAOYSA-N",367799,NA,"PDBC45015","637818","Present",NA,NA
+"45016","NSC637823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637823",NA,NA,NA,NA,NA,"PDBC45016","637823","Present",NA,NA
+"45017","NSC637824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637824",NA,NA,NA,NA,NA,"PDBC45017","637824","Present",NA,NA
+"45018","NSC637825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637825",NA,NA,NA,NA,NA,"PDBC45018","637825","Present",NA,NA
+"45019","NSC637829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637829",NA,"C1COCCN1CC2CC(OC2=O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl","WTWJTYIBGUOMFD-UHFFFAOYSA-N",367803,NA,"PDBC45019","637829","Present",NA,NA
+"45020","NSC637894",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637894",NA,"CCN(CC)C(=NC1=NOC(=C1)C)CC(=O)OCC.OCl(=O)(=O)=O","BHHHLQQVJDAAQZ-UHFFFAOYSA-N",21144954,NA,"PDBC45020","637894","Present",NA,NA
+"45021","NSC637896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637896",NA,"CCN(CC)C1=C(C(=O)N=C2N1C=CC=C2)NC(=O)C(=O)OCC.Cl","RMDOPHLOWIUTTG-UHFFFAOYSA-N",367820,NA,"PDBC45021","637896","Present",NA,NA
+"45022","NSC637917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC637917",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=NC(=CC4=CC=C(C=C4)N(CCC#N)CCC#N)C(=O)O3","ZUGCHGMIXIPYQE-QNGOZBTKSA-N",6277001,NA,"PDBC45022","637917","Present",NA,NA
+"45023","NSC638024",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638024",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","RXVANWAGBRZRSN-UHFFFAOYSA-N",367859,NA,"PDBC45023","638024","Present",NA,NA
+"45024","NSC638051",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638051",NA,"C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=C(O3)C4=CC=C(C=C4)Cl","KMHBRMILGHYRBX-MTJSOVHGSA-N",5434464,NA,"PDBC45024","638051","Present",NA,NA
+"45025","NSC638130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638130",NA,"COC(=O)NC(=O)C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","UXSFHFOZLWFQEN-UHFFFAOYSA-N",367931,NA,"PDBC45025","638130","Present",NA,NA
+"45026","NSC638224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638224",NA,"C1=CC(=CC=C1C=C(C(=O)NN)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)N(CCC#N)CCC#N","SJMPXWFROLDCEV-DEDYPNTBSA-N",5930432,NA,"PDBC45026","638224","Present",NA,NA
+"45027","NSC638265",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638265",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.[OH3+].[Ni+2]","ROPGKFYPGBRTIM-UHFFFAOYSA-M",24202301,NA,"PDBC45027","638265","Present",NA,NA
+"45028","NSC638268",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638268",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.[OH3+].[Pd+2]","QVZYVRNNYJMIBN-UHFFFAOYSA-M",24202304,NA,"PDBC45028","638268","Present",NA,NA
+"45029","NSC638269",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638269",NA,NA,NA,NA,NA,"PDBC45029","638269","Present",NA,NA
+"45030","NSC638282",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638282",NA,NA,NA,NA,NA,"PDBC45030","638282","Present",NA,NA
+"45031","NSC638289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638289",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC=NC=C1.[OH3+].[Co+2]","LYAQUJKVWWMUTQ-UHFFFAOYSA-M",24202306,NA,"PDBC45031","638289","Present",NA,NA
+"45032","NSC638297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638297",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC=NC(=C1)C2=CC=CC=N2.[OH3+].[Ni+2]","AXAVNXFQZJYYIA-UHFFFAOYSA-M",24202307,NA,"PDBC45032","638297","Present",NA,NA
+"45033","NSC638299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638299",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[OH3+].[Ni+2]","MEJRFJFGQWUFQF-UHFFFAOYSA-M",24202308,NA,"PDBC45033","638299","Present",NA,NA
+"45034","NSC638301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638301",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC=NC(=C1)C2=CC=CC=N2.[OH3+].[Cu+2]","OEOLQPJSSTUCPD-UHFFFAOYSA-M",24202309,NA,"PDBC45034","638301","Present",NA,NA
+"45035","NSC638303",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638303",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[OH3+].[Cu+2]","GHMNFZSOIYHZNI-UHFFFAOYSA-M",24202310,NA,"PDBC45035","638303","Present",NA,NA
+"45036","NSC638308",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638308",NA,NA,NA,NA,NA,"PDBC45036","638308","Present",NA,NA
+"45037","NSC638309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638309",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)C2=CC=NC=C2.[OH3+].[Mn+2]","RBHGIOGQLJWOPT-UHFFFAOYSA-M",24202311,NA,"PDBC45037","638309","Present",NA,NA
+"45038","NSC638311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638311",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)C2=CC=NC=C2.[OH3+].[Ni+2]","ITKBIIYMLVONBJ-UHFFFAOYSA-M",24202313,NA,"PDBC45038","638311","Present",NA,NA
+"45039","NSC638312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638312",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)C2=CC=NC=C2.[OH3+].[Cu+2]","LBYHDSXWFFBAQK-UHFFFAOYSA-M",24202314,NA,"PDBC45039","638312","Present",NA,NA
+"45040","NSC638315",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638315",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)C2=CC=NC=C2.COC1=CC=CC(=C1[O-])C=N[N-]C(=O)C2=CC=NC=C2.[OH2+][U](=O)(=O)[OH2+]","AHBFVWNISPGOAG-UHFFFAOYSA-J",24202317,NA,"PDBC45040","638315","Present",NA,NA
+"45041","NSC638389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638389",NA,NA,NA,NA,NA,"PDBC45041","638389","Present",NA,NA
+"45042","NSC638395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638395",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CC=NC=C2","NGJDPYNEVBRZTO-SNAWJCMRSA-N",5388744,NA,"PDBC45042","638395","Present",NA,NA
+"45043","NSC638396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638396",NA,"COC1=CC(=CC(=C1OC)OC)C=CC2=CN=CC=C2","XTJNJMOYKKLUOV-VOTSOKGWSA-N",5388745,NA,"PDBC45043","638396","Present",NA,NA
+"45044","NSC638433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638433",NA,"CN(C)CCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4.Cl","HPAWLQZFFPENFO-UHFFFAOYSA-N",368092,NA,"PDBC45044","638433","Present",NA,NA
+"45045","NSC638434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638434",NA,"C1CCN(CC1)CCN2C3=C(C=CC4=CC=CC=C43)C5=C2C6=CC=CC=C6C(=O)O5.Cl","SAAFHIWBLQSEIH-UHFFFAOYSA-N",368094,NA,"PDBC45045","638434","Present",NA,NA
+"45046","NSC638435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638435",NA,"C1CCN(CC1)CCCN2C3=C(C=CC4=CC=CC=C43)C5=C2C6=CC=CC=C6C(=O)O5.Cl","RUNWCPZBZSDWEG-UHFFFAOYSA-N",368096,NA,"PDBC45046","638435","Present",NA,NA
+"45047","NSC638436",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638436",NA,"C1COCCN1CCN2C3=C(C=CC4=CC=CC=C43)C5=C2C6=CC=CC=C6C(=O)O5.Cl","IGJPSZACNWZHID-UHFFFAOYSA-N",368098,NA,"PDBC45047","638436","Present",NA,NA
+"45048","NSC638437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638437",NA,"CCN(CC)CCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4.Cl","WNJMQYXNEAPOTM-UHFFFAOYSA-N",368100,NA,"PDBC45048","638437","Present",NA,NA
+"45049","NSC638438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638438",NA,"CC(C)N(CCN1C2=C(C=CC3=CC=CC=C32)C4=C1C5=CC=CC=C5C(=O)O4)C(C)C.Cl","YHDLVJLUTOPOIF-UHFFFAOYSA-N",368102,NA,"PDBC45049","638438","Present",NA,NA
+"45050","NSC638441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638441",NA,"C1=CC=C2C(=C1)C=CC3=C2N(C4=C3OC(=O)C5=CC=CC=C54)CC6=NC7=CC=CC=C7N6.Cl","AKAWASDCKIOXPQ-UHFFFAOYSA-N",368107,NA,"PDBC45050","638441","Present",NA,NA
+"45051","NSC638465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638465",NA,"CCOC(=O)C1=C(OC(=C1)C=CC(=CC(=O)OC)C)C2=CC=CC=C2","KZYPTCODBKPILP-CYZWUHAYSA-N",5388760,NA,"PDBC45051","638465","Present",NA,NA
+"45052","NSC638466",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638466",NA,"CC1=C(N(C(=C1C#C)C)C)C=CC(=CC(=O)OC)C","YGVJESTZPPQQAN-BNFZFUHLSA-N",5388761,NA,"PDBC45052","638466","Present",NA,NA
+"45053","NSC638467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638467",NA,"CC1=C(N(C(=C1C(=O)C)C)C)C=CC(=CC(=O)OC)C","HVMLDYJZKASNRO-XBLVEGMJSA-N",5388762,NA,"PDBC45053","638467","Present",NA,NA
+"45054","NSC638532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638532",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC(C)C","RAVQXTOXTZWMKS-UHFFFAOYSA-N",3000903,NA,"PDBC45054","638532","Present",NA,NA
+"45055","NSC638534",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638534",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OCC3CC3","JFOJNMXPPYADJW-UHFFFAOYSA-N",3000930,NA,"PDBC45055","638534","Present",NA,NA
+"45056","NSC638637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638637",NA,"CN(C)CC1CCCC1=NOC(=O)C2=CC=CC=C2.Cl","RFQKRDNBKOBKGG-ULQCMBKMSA-N",9570068,NA,"PDBC45056","638637","Present",NA,NA
+"45057","NSC638638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638638",NA,"C1CCC(=NOC(=O)NC2=CC=CC=C2)C(=CC3=CC=CC=C3)C1","LKOSOOKZYUARPW-WIGISAIBSA-N",6375376,NA,"PDBC45057","638638","Present",NA,NA
+"45058","NSC638645",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638645",NA,"CN(C)CCC(=O)N1CC(=CC2=CC(=C(C=C2)Cl)Cl)C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)C1.Cl","VPXSVNBQDBEVRT-MQMNHWTGSA-N",5388808,NA,"PDBC45058","638645","Present",NA,NA
+"45059","NSC638646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638646",NA,"C1COCCN1CCC(=O)N2CC(=CC3=CC(=C(C=C3)Cl)Cl)C(=O)C(=CC4=CC(=C(C=C4)Cl)Cl)C2.Cl","CYXNWGGLZBUIJH-BYCVLTJGSA-N",5388810,NA,"PDBC45059","638646","Present",NA,NA
+"45060","NSC638792",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638792",NA,NA,NA,NA,NA,"PDBC45060","638792","Present",NA,NA
+"45061","NSC638856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638856",NA,"CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)N(CCCl)N=O)O)O","LZOYLDLXSNCBFB-UHFFFAOYSA-N",368308,NA,"PDBC45061","638856","Present",NA,NA
+"45062","NSC639015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639015",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCCN(CCCN)CCCN)CNCCCN(CCCN)CCCN.Cl","JJZTZMJNJRXRAP-UHFFFAOYSA-N",368316,NA,"PDBC45062","639015","Present",NA,NA
+"45063","NSC639016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639016",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCN)CNCCN.Cl","DWJZWJHOTGKCLR-UHFFFAOYSA-N",368318,NA,"PDBC45063","639016","Present",NA,NA
+"45064","NSC639017",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639017",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCCN)CNCCCN.Cl","GRXAHUDNQJJPNE-UHFFFAOYSA-N",368320,NA,"PDBC45064","639017","Present",NA,NA
+"45065","NSC639018",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639018",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CNCCNCCN)CNCCNCCN.Cl","MUZFUVBMILSCMK-UHFFFAOYSA-N",368322,NA,"PDBC45065","639018","Present",NA,NA
+"45066","NSC639092",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639092",NA,"C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.[Co+2]","PPPNIARVRINBAR-UHFFFAOYSA-L",24202330,NA,"PDBC45066","639092","Present",NA,NA
+"45067","NSC639093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639093",NA,"C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C2=O)[O-])NC4=CC=CC=C4.[Cu+2]","PEBHLBDEYSOGSX-UHFFFAOYSA-L",24202331,NA,"PDBC45067","639093","Present",NA,NA
+"45068","NSC639207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639207",NA,"CN(C)CCCNC1=CC=NC2=C(C=CC(=C12)[N+](=O)[O-])OC.Cl","FBAVKCRCBQJJGY-UHFFFAOYSA-N",368346,NA,"PDBC45068","639207","Present",NA,NA
+"45069","NSC639209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639209",NA,"CN1C=C(N=C1C(=O)NCCN(C)C)[N+](=O)[O-].Cl","YZROCHJXKOJLHS-UHFFFAOYSA-N",368350,NA,"PDBC45069","639209","Present",NA,NA
+"45070","NSC639211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639211",NA,"CC1=C(C2=C(C=CC(=C2N=C1C)OC)[N+](=O)[O-])NCCCN(C)C.Cl","MQLAMHFAFPFGPS-UHFFFAOYSA-N",368352,NA,"PDBC45070","639211","Present",NA,NA
+"45071","NSC639212",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639212",NA,"CN(C)CCCNC1=C2C(=C(C=C(C2=NC=C1)OC)OC)[N+](=O)[O-].Cl","PMBYZWJSGXECLY-UHFFFAOYSA-N",368354,NA,"PDBC45071","639212","Present",NA,NA
+"45072","NSC639222",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639222",NA,NA,NA,NA,NA,"PDBC45072","639222","Present",NA,NA
+"45073","NSC639223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639223",NA,NA,NA,NA,NA,"PDBC45073","639223","Present",NA,NA
+"45074","NSC639349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639349",NA,"COC1=C(C=C(C(=C1)C[S+]2CCCC2)SC)C[S+]3CCCC3.[Cl-]","QAMWIGNFSLHJEH-UHFFFAOYSA-M",24202335,NA,"PDBC45074","639349","Present",NA,NA
+"45075","NSC639381",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639381",NA,"C1=CC=C2C(=C1)C3=C(N2)N4C=CC=CC4=N3.Cl","HFGXTYWEKVRITD-UHFFFAOYSA-N",368391,NA,"PDBC45075","639381","Present",NA,NA
+"45076","NSC639511",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639511",NA,"CN(C)CC1CCC(=CC2=CC=C(C=C2)OC)C1=O.Cl","ITZMZWGTPDFLEN-RSGUCCNWSA-N",21141935,NA,"PDBC45076","639511","Present",NA,NA
+"45077","NSC639521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639521",NA,"CN(C)CC1(CCC(=CC2=CC=CC=C2OC)C1=O)CC3=CC=CC=C3.Cl","OCMFWRVISPZPQB-QMGGKDRNSA-N",6516829,NA,"PDBC45077","639521","Present",NA,NA
+"45078","NSC639523",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639523",NA,"CN(C)CC1(CCC(=CC2=CC=C(C=C2)OC)C1=O)CC3=CC=CC=C3.Cl","ABIQSCZWUVVKQE-QMGGKDRNSA-N",6516833,NA,"PDBC45078","639523","Present",NA,NA
+"45079","NSC639645",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639645",NA,"CC1C(C(CC(O1)CC2C=CCC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)NC(=O)C(F)(F)F)O","ACGSOVGSCAVABR-UHFFFAOYSA-N",368566,NA,"PDBC45079","639645","Present",NA,NA
+"45080","NSC639667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639667",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)N=CC3=CC=C(C=C3)C#N","REDPFJVLTSDICA-ZDLGFXPLSA-N",5406211,NA,"PDBC45080","639667","Present",NA,NA
+"45081","NSC639669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639669",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)N=CC3=CC=C(C=C3)Br","DQFSZGUXLGKJAO-MFOYZWKCSA-N",5539125,NA,"PDBC45081","639669","Present",NA,NA
+"45082","NSC639670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639670",NA,"CN(C)C1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3C2=O","RVPQHWSMWINUKC-WQRHYEAKSA-N",5399061,NA,"PDBC45082","639670","Present",NA,NA
+"45083","NSC639671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639671",NA,"CC(=O)NC1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3C2=O","ILCRETRYCYBSOE-ZDLGFXPLSA-N",5539126,NA,"PDBC45083","639671","Present",NA,NA
+"45084","NSC639672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639672",NA,"CCOC1=CC=C(C=C1)C=NN2C(=O)C3=CC=CC=C3C2=O","YWFALNDSTQGAOF-WQRHYEAKSA-N",5407530,NA,"PDBC45084","639672","Present",NA,NA
+"45085","NSC639674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639674",NA,"COC1=C(C(=CC=C1)OC)C=NN2C(=O)C3=CC=CC=C3C2=O","BWCUFLBFNPNEBB-ZDLGFXPLSA-N",5914726,NA,"PDBC45085","639674","Present",NA,NA
+"45086","NSC639687",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639687",NA,"COC1=CC=C(C=C1)C=NN2C(=O)CC3=CC=CC=C32","UITQBCVHKGGRFX-BOPFTXTBSA-N",5779291,NA,"PDBC45086","639687","Present",NA,NA
+"45087","NSC639688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639688",NA,"C1C2=CC=CC=C2N(C1=O)N=CC3=CC=C(C=C3)[N+](=O)[O-]","GIGSBAQYGUSLBJ-YBEGLDIGSA-N",5815137,NA,"PDBC45087","639688","Present",NA,NA
+"45088","NSC639689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639689",NA,"C1C2=CC=CC=C2N(C1=O)N=CC3=CC=C(C=C3)O","GGJSXXYKMFGFME-YBEGLDIGSA-N",135510151,NA,"PDBC45088","639689","Present",NA,NA
+"45089","NSC639692",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639692",NA,"C1=CC=C(C=C1)C=C2C3=CC=CC=C3N(C2=O)N=CC4=CC=CC=C4","GZDYWCRQLGLISK-SMCBROAFSA-N",6477146,NA,"PDBC45089","639692","Present",NA,NA
+"45090","NSC639693",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639693",NA,"CC(=O)N(C1=CC=CC=C1)N=CC2=CC=C(C=C2)[N+](=O)[O-]","BBWSBUROEQHSAP-WJDWOHSUSA-N",5929675,NA,"PDBC45090","639693","Present",NA,NA
+"45091","NSC639716",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639716",NA,"CCOC(=O)NC1C(OC2C1OC(O2)(C)C)CC(=O)OC","SCGFFFTVOLVLRJ-UTZLWWRBSA-N",368607,NA,"PDBC45091","639716","Present",NA,NA
+"45092","NSC639717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639717",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.CC(=O)OC1(CC2C3C(C1O2)N3)C#N","MUWASGSOOFULPN-UHFFFAOYSA-N",368608,NA,"PDBC45092","639717","Present",NA,NA
+"45093","NSC639724",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639724",NA,"CC(=O)OC1CCN2C1C(C=CC2=O)OCC3=CC=CC=C3","UDKKAMHHDCVXRP-CKDBGZEDSA-N",368616,NA,"PDBC45093","639724","Present",NA,NA
+"45094","NSC639725",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639725",NA,"COC1C(C2C(O1)CCN2C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4","CKBNYTXRUSOIJZ-HVZPKCFKSA-N",368617,NA,"PDBC45094","639725","Present",NA,NA
+"45095","NSC639747",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639747",NA,"C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Br)N(C2=S)C4C(C(C(C(O4)CO)O)O)O","VEEXGKNZCQXJBX-UHFFFAOYSA-N",368634,NA,"PDBC45095","639747","Present",NA,NA
+"45096","NSC639749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639749",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(C=C(C=C3Br)Br)C(=O)N(C2=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","RDTCOQAOMGCRCZ-UHFFFAOYSA-N",368636,NA,"PDBC45096","639749","Present",NA,NA
+"45097","NSC639802",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639802",NA,"CC1(C2CCC13CS(=O)(=O)N4C3(O4)C(=O)O2)C","IBWARBOFSUICEE-CXAOWAQFSA-N",368683,NA,"PDBC45097","639802","Present",NA,NA
+"45098","NSC639837",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639837",NA,"C1COCCN1CC2CC(OC2=O)(CCCl)C3=CC=CC=C3.Cl","PFWDPHWGIAAVJK-UHFFFAOYSA-N",368700,NA,"PDBC45098","639837","Present",NA,NA
+"45099","NSC639838",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639838",NA,"C1COCCN1CC2CC(OC2=O)C3=CC=CC=C3.Cl","CNJZINYOTQMUHK-DTPOWOMPSA-N",11969932,NA,"PDBC45099","639838","Present",NA,NA
+"45100","NSC639839",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639839",NA,"C1COCCN1CC2CC(OC2=O)C3=CC=CC=C3.Cl","CNJZINYOTQMUHK-LMRHVHIWSA-N",11969933,NA,"PDBC45100","639839","Present",NA,NA
+"45101","NSC639857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639857",NA,"C1=CC(=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)[N+](=O)[O-])CC(=O)O.[Na+]","SXTHVDDFIBKGBD-UHFFFAOYSA-N",54608100,NA,"PDBC45101","639857","Present",NA,NA
+"45102","NSC639859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639859",NA,"CC1=CC(=C(C2=C(C=CN=C12)NCCCN(C)C)[N+](=O)[O-])C.Cl","LIBSICMJQSAVJC-UHFFFAOYSA-N",368724,NA,"PDBC45102","639859","Present",NA,NA
+"45103","NSC639860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639860",NA,"C1=CC2=NC=CC(=C2C(=C1)[N+](=O)[O-])NCCCO.Cl","AFHIDHSBCLHTLS-UHFFFAOYSA-N",368726,NA,"PDBC45103","639860","Present",NA,NA
+"45104","NSC639861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639861",NA,"COC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCC(CO)O.Cl","UXDHOIQCWSRLLF-UHFFFAOYSA-N",368728,NA,"PDBC45104","639861","Present",NA,NA
+"45105","NSC639940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639940",NA,"CCCN(CCC)CCC1=CN(C(=C1)C(=O)C)S(=O)(=O)C2=CC=C(C=C2)C.Cl","XFWMTDGSWHZESJ-UHFFFAOYSA-N",368762,NA,"PDBC45105","639940","Present",NA,NA
+"45106","NSC639941",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639941",NA,"CC(=O)C(C(=O)C(=O)OC)C(C)(C)C1C(N(C(O1)C(C)(C)C)C(=O)OC)CC=C","XXACLLRSPGGQLD-KZFQUHQDSA-N",368764,NA,"PDBC45106","639941","Present",NA,NA
+"45107","NSC639943",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639943",NA,"C1=CC=C(C=C1)C=NN2C=C(C(=NC2=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","OURIQXLTVSJUJT-XYGWBWBKSA-N",6036979,NA,"PDBC45107","639943","Present",NA,NA
+"45108","NSC639945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639945",NA,"CC(C)NCC(CON=C(C)C1=CC2=C(C=C1)SCC(=O)N2)O","KTAMFJYOMWGDSL-YBFXNURJSA-N",5465121,NA,"PDBC45108","639945","Present",NA,NA
+"45109","NSC639974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639974",NA,"C1CCC2C(C1)C3CC45CCCCC4C(C3C(=O)O2)C(=O)O5","VJVQBNQLZLZAHA-QWPLONTLSA-N",368770,NA,"PDBC45109","639974","Present",NA,NA
+"45110","NSC640117",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640117",NA,"CN(C)CCNC(=O)C1=NC=CC(=C1)[N+](=O)[O-].Cl","VMOSMVZPDOOTRE-UHFFFAOYSA-N",368825,NA,"PDBC45110","640117","Present",NA,NA
+"45111","NSC640118",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640118",NA,"CN1C=C(C=C1C(=O)NCCN(C)C)[N+](=O)[O-].Cl","DSKAAEGJGGHGGZ-UHFFFAOYSA-N",368827,NA,"PDBC45111","640118","Present",NA,NA
+"45112","NSC640119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640119",NA,"CN1C(=C(C=N1)C(=O)NCCN(C)C)[N+](=O)[O-].Cl","SSGHAMPCGQOHSX-UHFFFAOYSA-N",368829,NA,"PDBC45112","640119","Present",NA,NA
+"45113","NSC640159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640159",NA,NA,NA,NA,NA,"PDBC45113","640159","Present",NA,NA
+"45114","NSC640160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640160",NA,NA,NA,NA,NA,"PDBC45114","640160","Present",NA,NA
+"45115","NSC640161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640161",NA,NA,NA,NA,NA,"PDBC45115","640161","Present",NA,NA
+"45116","NSC640209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640209",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=CC=C4","JIHQBLLUOYESQC-UHFFFAOYSA-N",368870,NA,"PDBC45116","640209","Present",NA,NA
+"45117","NSC640211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640211",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)COC(=O)N)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=CC=C4","DDAJXHIJVQHLDD-UHFFFAOYSA-N",368872,NA,"PDBC45117","640211","Present",NA,NA
+"45118","NSC640215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640215",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=O)C#N)C3=CC=CO3)C4=CC=C(C=C4)N)OC(=O)C)OC(=O)C)OC(=O)C","NWISAVDUENVINN-UHFFFAOYSA-N",368876,NA,"PDBC45118","640215","Present",NA,NA
+"45119","NSC640223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640223",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CC=C4","SLOREAVKHBCWAX-UHFFFAOYSA-N",368878,NA,"PDBC45119","640223","Present",NA,NA
+"45120","NSC640224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640224",NA,"COC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CC=C4","GXKMWJJALPVOEK-UHFFFAOYSA-N",368879,NA,"PDBC45120","640224","Present",NA,NA
+"45121","NSC640225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640225",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CO4","XJNBFEOSRVOEOE-UHFFFAOYSA-N",368880,NA,"PDBC45121","640225","Present",NA,NA
+"45122","NSC640234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640234",NA,"C1=CC=C(C(=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=CC=C8[N+](=O)[O-])[N+](=O)[O-]","LNNAURLMTULNKG-AKAXLSRLSA-N",368889,NA,"PDBC45122","640234","Present",NA,NA
+"45123","NSC640235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640235",NA,"C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4C(C3=O)ON=C4C5=CC=C(C=C5)Br)N6C(=O)C7C(C6=O)ON=C7C8=CC=C(C=C8)Br","BAJUXBFQHZDYEQ-AKAXLSRLSA-N",368890,NA,"PDBC45123","640235","Present",NA,NA
+"45124","NSC640237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640237",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC(=CC=C8)[N+](=O)[O-]","YTZJGIKAFJBQHL-AKAXLSRLSA-N",368892,NA,"PDBC45124","640237","Present",NA,NA
+"45125","NSC640238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640238",NA,"CC1=CC=C(C=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=C(C=C8)C","MVHZOPBZCOWWBN-CUEKVZMMSA-N",368893,NA,"PDBC45125","640238","Present",NA,NA
+"45126","NSC640239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640239",NA,"C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4C(C3=O)ON=C4C5=C(C=C(C=C5)Cl)Cl)N6C(=O)C7C(C6=O)ON=C7C8=C(C=C(C=C8)Cl)Cl","UCPGBHKMEXUHFR-AKAXLSRLSA-N",368894,NA,"PDBC45126","640239","Present",NA,NA
+"45127","NSC640240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640240",NA,"CC1=CC(=C(C(=C1)C)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=C(C=C(C=C8C)C)C)C","IVEPZRSQVKYTIY-HNBWCEFUSA-N",368895,NA,"PDBC45127","640240","Present",NA,NA
+"45128","NSC640242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640242",NA,"C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)C4C(C3=O)ON=C4C5=CC=NC=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=NC=C8","QPIOGTOOKNCOSO-APAYWLHNSA-N",368897,NA,"PDBC45128","640242","Present",NA,NA
+"45129","NSC640244",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640244",NA,"C1=CC=C(C(=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=CC=C8Br)Br","UCCZLGLOVKMMNA-AKAXLSRLSA-N",368899,NA,"PDBC45129","640244","Present",NA,NA
+"45130","NSC640245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640245",NA,"C1=CC=C(C(=C1)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=CC=CC=C8F)F","LLZTYJVPCBWBAV-AKAXLSRLSA-N",368900,NA,"PDBC45130","640245","Present",NA,NA
+"45131","NSC640246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640246",NA,"C1=CC(=C(C(=C1)Cl)C2=NOC3C2C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON=C7C8=C(C=CC=C8Cl)Cl)Cl","HSJGKVYGNWOUBK-AKAXLSRLSA-N",368901,NA,"PDBC45131","640246","Present",NA,NA
+"45132","NSC640247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640247",NA,"C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)ON(C7C(=O)C8=C(C=C(C=C8)Cl)Cl)C9=CC=CC=C9)C(=O)C1=C(C=C(C=C1)Cl)Cl","RTFVWKCBGFFGOR-ZDNYHMLXSA-N",368902,NA,"PDBC45132","640247","Present",NA,NA
+"45133","NSC640248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640248",NA,"C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=CC=C9)ON2C1=CC=CC=C1","LFJQKDCUYBDNAK-YDEHMNANSA-N",368903,NA,"PDBC45133","640248","Present",NA,NA
+"45134","NSC640249",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640249",NA,"CC1=CC(=C(C(=C1)C)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=C(C=C(C=C9C)C)C)ON2C1=CC=CC=C1)C","CUWBOWMMLWOMMM-NFSLIGEQSA-N",368904,NA,"PDBC45134","640249","Present",NA,NA
+"45135","NSC640250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640250",NA,"COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=C(C=C9)OC)ON2C1=CC=CC=C1","FUFGEKDLLKFZOY-MVTMXDCVSA-N",368905,NA,"PDBC45135","640250","Present",NA,NA
+"45136","NSC640251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640251",NA,"C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC(=CC=C9)[N+](=O)[O-])C1=CC(=CC=C1)[N+](=O)[O-]","UUIGNRLGAJEAOJ-YDEHMNANSA-N",368906,NA,"PDBC45136","640251","Present",NA,NA
+"45137","NSC640252",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640252",NA,"C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=C(C=C9)[N+](=O)[O-])C1=CC=C(C=C1)[N+](=O)[O-]","DDPOQCPGGSSIPN-YDEHMNANSA-N",368907,NA,"PDBC45137","640252","Present",NA,NA
+"45138","NSC640253",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640253",NA,"C1=CC=C(C=C1)[N+]2=C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(C6=O)O[N+](=C7C8=CC=CC=C8[N+](=O)[O-])C9=CC=CC=C9)C1=CC=CC=C1[N+](=O)[O-]","NMWVJDTUFGFLLU-TXJVJZIDSA-N",6331028,NA,"PDBC45138","640253","Present",NA,NA
+"45139","NSC640254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640254",NA,"C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=C(C=C(C=C9)Cl)Cl)C1=C(C=C(C=C1)Cl)Cl","LUOKKYLELKGSTK-YDEHMNANSA-N",368908,NA,"PDBC45139","640254","Present",NA,NA
+"45140","NSC640255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640255",NA,"CC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=C(C=C9)C)ON2C1=CC=CC=C1","IBLYQHQDLTUPEE-MVTMXDCVSA-N",368909,NA,"PDBC45140","640255","Present",NA,NA
+"45141","NSC640256",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640256",NA,"C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=CC=C9Cl)C1=CC=CC=C1Cl","YSPLVPPVPWXZPP-YDEHMNANSA-N",368910,NA,"PDBC45141","640256","Present",NA,NA
+"45142","NSC640257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640257",NA,"C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=C(C=C9)Cl)C1=CC=C(C=C1)Cl","YIAANDZUUCSHES-YDEHMNANSA-N",368911,NA,"PDBC45142","640257","Present",NA,NA
+"45143","NSC640258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640258",NA,"CC(=O)NC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=C(C=C9)NC(=O)C)ON2C1=CC=CC=C1","BZZGZCIBKRKBRU-LSTBTSRYSA-N",368912,NA,"PDBC45143","640258","Present",NA,NA
+"45144","NSC640259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640259",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC(=C(C(=C9)OC)OC)OC)ON2C1=CC=CC=C1","VXXKDLLHMQCVAB-RGCFGXRGSA-N",368913,NA,"PDBC45144","640259","Present",NA,NA
+"45145","NSC640260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640260",NA,"C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=CC=C9F)C1=CC=CC=C1F","RVXOHUNESPRLPX-YDEHMNANSA-N",368914,NA,"PDBC45145","640260","Present",NA,NA
+"45146","NSC640261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640261",NA,"C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N6C(=O)C7C(N(OC7C6=O)C8=CC=CC=C8)C9=CC=CO9)C1=CC=CO1","JZYDQIIXFQOQGO-WNJWIZAMSA-N",368915,NA,"PDBC45146","640261","Present",NA,NA
+"45147","NSC640340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640340",NA,"CC1=C(SC(=N1)NC2=CC(=C(C=C2)Cl)Cl)C(=NNC(=O)C3=CC=CC=C3)C=CC4=CC(=C(C=C4)O)OC","ZATAOEBGRWUVMS-RXOVHVMJSA-N",135499151,NA,"PDBC45147","640340","Present",NA,NA
+"45148","NSC640343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640343",NA,"CCC1=C(C(=CC=C1)C(C)CC)N=C(NC(=O)C2=CC=CC=C2C(=O)NC(=NC3=C(C=CC=C3C(C)CC)CC)SC)SC.I","RCRJVKAKXFKTTL-UHFFFAOYSA-N",135423139,NA,"PDBC45148","640343","Present",NA,NA
+"45149","NSC640345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640345",NA,"CSC(=NC1=NC=CS1)NC(=O)C2=CC(=CC=C2)Cl.I","NPZLTPZZQAZDJK-UHFFFAOYSA-N",9571655,NA,"PDBC45149","640345","Present",NA,NA
+"45150","NSC640347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640347",NA,"CSC(=NC1=CC=CC=C1Cl)NC(=O)C2=CC=C(C=C2)Br.I","BWEKZLFJPPTPPZ-UHFFFAOYSA-N",135423143,NA,"PDBC45150","640347","Present",NA,NA
+"45151","NSC640352",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640352",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C=CC(=O)C","OPBWKLXVROIGOJ-YVMONPNESA-N",5466652,NA,"PDBC45151","640352","Present",NA,NA
+"45152","NSC640357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640357",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NN(C)C)C","ZERSWHDPHXVNTN-KOEQRZSOSA-N",5465132,NA,"PDBC45152","640357","Present",NA,NA
+"45153","NSC640358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640358",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NO)C","CCYPCFLUAOOJCH-BUVRLJJBSA-N",5465133,NA,"PDBC45153","640358","Present",NA,NA
+"45154","NSC640526",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640526",NA,"C1=CC=C2C(=C1)C=CC=C2C=CC(=O)C3=CC=CC4=CC=CC=C43","WXTUPKOMTOZRJM-NXVVXOECSA-N",54611339,NA,"PDBC45154","640526","Present",NA,NA
+"45155","NSC640531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640531",NA,"C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl)Cl","HDRUDSYPDBRZHT-KXFIGUGUSA-N",54602071,NA,"PDBC45155","640531","Present",NA,NA
+"45156","NSC640546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640546",NA,"CC1=C(SC(=N1)N)C(=O)C=CC2=CC3=C(C=C2)OCO3","OKEZPFXHWCRHRE-RQOWECAXSA-N",54608635,NA,"PDBC45156","640546","Present",NA,NA
+"45157","NSC640547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640547",NA,"CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]","FZXDABMURYKHCJ-VQHVLOKHSA-N",5876630,NA,"PDBC45157","640547","Present",NA,NA
+"45158","NSC640549",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640549",NA,"CC1=C(SC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CC=C(C=C3)N(C)C","LRJMLKFKRPSWMW-AWNIVKPZSA-N",5875812,NA,"PDBC45158","640549","Present",NA,NA
+"45159","NSC640550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640550",NA,"CC1=C(SC(=N1)NC2=CC=CC=C2)C(=O)C=CC3=CC(=C(C=C3)O)OC","OFVZCBQTOWOILR-PKNBQFBNSA-N",5917078,NA,"PDBC45159","640550","Present",NA,NA
+"45160","NSC640553",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640553",NA,"CC1=C(SC(=N1)NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CC=C(C=C3)OC","OHGLCSVSLZEULT-LFYBBSHMSA-N",5867443,NA,"PDBC45160","640553","Present",NA,NA
+"45161","NSC640560",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640560",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl","HWFJSRNQHJTPKQ-GQCTYLIASA-N",6054684,NA,"PDBC45161","640560","Present",NA,NA
+"45162","NSC640562",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640562",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=C(C=C2)NC(=O)C","KYHRNORUBPIMGG-RMKNXTFCSA-N",6109655,NA,"PDBC45162","640562","Present",NA,NA
+"45163","NSC640565",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640565",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=C(C=C2)Cl","OAUVXOFAFALBGK-VMPITWQZSA-N",6149175,NA,"PDBC45163","640565","Present",NA,NA
+"45164","NSC640567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640567",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=C(C=C2)N(C)C","LZELGBDDRIRJMW-JXMROGBWSA-N",5935152,NA,"PDBC45164","640567","Present",NA,NA
+"45165","NSC640570",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640570",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)C=CC3=CC=C(C=C3)C=CC(=O)C4=C(N=C(S4)C5=NC(=C(S5)C(=O)C)C)C)C)C(=O)C","IEEVPIWIFVPYRU-XSYHWHKQSA-N",54608771,NA,"PDBC45165","640570","Present",NA,NA
+"45166","NSC640585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640585",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC(=C(C=C2)O)OC","MKNQSOYFHIMOAT-FNORWQNLSA-N",5901079,NA,"PDBC45166","640585","Present",NA,NA
+"45167","NSC640586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640586",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=CC=C2Cl","SPDCZZMATIQLGL-BQYQJAHWSA-N",5939270,NA,"PDBC45167","640586","Present",NA,NA
+"45168","NSC640646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640646",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSC(F)F)O)O)N","OEDUNIMOWCCRBV-UHFFFAOYSA-N",369089,NA,"PDBC45168","640646","Present",NA,NA
+"45169","NSC640647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640647",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSC(F)(F)F)O)O)N","SVAPYGHZOUZUSS-UHFFFAOYSA-N",369090,NA,"PDBC45169","640647","Present",NA,NA
+"45170","NSC640659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640659",NA,"C[N+](C)(CCCNC1=C2C(=NC=C1)C=CC=C2[N+](=O)[O-])[O-].Cl.[Cl-]","QVCHPUXZYKVCQG-UHFFFAOYSA-M",54608931,NA,"PDBC45170","640659","Present",NA,NA
+"45171","NSC640661",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640661",NA,"CN(C)CCNC(=O)CN1C=CC(=O)C2=C1C=CC=C2[N+](=O)[O-].Cl","AYNCKDSWRPOASC-UHFFFAOYSA-N",369106,NA,"PDBC45171","640661","Present",NA,NA
+"45172","NSC640662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640662",NA,"CN(C)CCNC(=O)CN1C=CC(=O)C2=C1C=CC(=C2)[N+](=O)[O-].Cl","XLQJWJLSWRTAIO-UHFFFAOYSA-N",369108,NA,"PDBC45172","640662","Present",NA,NA
+"45173","NSC640663",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640663",NA,"CN(C)CCNC(=O)CN1C=CC(=O)C2=C1C=C(C=C2)[N+](=O)[O-].Cl","IEQRJVMOCWDCFF-UHFFFAOYSA-N",369110,NA,"PDBC45173","640663","Present",NA,NA
+"45174","NSC640664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640664",NA,"CN(C)CCNC(=O)CN1C=NC2=C(C1=O)C(=CC=C2)[N+](=O)[O-].Cl","IGEBXVQINCAVEO-UHFFFAOYSA-N",369112,NA,"PDBC45174","640664","Present",NA,NA
+"45175","NSC640681",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640681",NA,"CC(C)(CN1CCCCC1)C(=O)C=CC2=CC=C(C=C2)Cl.Cl","LLQNJAYGGWTKIL-YGCVIUNWSA-N",6516948,NA,"PDBC45175","640681","Present",NA,NA
+"45176","NSC640684",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640684",NA,"C1=CC=C(C=C1)C(=NN=C(CCSCCO)C2=CC=CC=C2)CCSCCO","ZLNPVJFWPXYFSD-MBALSZOMSA-N",5465139,NA,"PDBC45176","640684","Present",NA,NA
+"45177","NSC640745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640745",NA,NA,NA,NA,NA,"PDBC45177","640745","Present",NA,NA
+"45178","NSC640927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640927",NA,"C1=CC2(C3C(C1C2=O)C=C(C3=O)Br)Br","PTZPVBFJESVZAU-KEQCRXGISA-N",369221,NA,"PDBC45178","640927","Present",NA,NA
+"45179","NSC641027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641027",NA,"C1C(CSCC1N2C=CC(=O)NC2=O)CO","DFCMYYNNUSIPQC-HTQZYQBOSA-N",369276,NA,"PDBC45179","641027","Present",NA,NA
+"45180","NSC641028",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641028",NA,"C1C(CS(=O)CC1N2C=CC(=O)NC2=O)CO","NFCKJEVFTIIMMJ-KLBCQMGOSA-N",369277,NA,"PDBC45180","641028","Present",NA,NA
+"45181","NSC641030",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641030",NA,"C1C(CC(C1CO)O)N2C=C(C(=O)NC2=O)I","NEWOWXPKUVLDTM-HAFWLYHUSA-N",369279,NA,"PDBC45181","641030","Present",NA,NA
+"45182","NSC641031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641031",NA,"C1C(CC(C1CO)O)N2C=C(C(=O)NC2=O)C=CBr","KAVDAMFOTJIBCK-YLTSPFDWSA-N",5466678,NA,"PDBC45182","641031","Present",NA,NA
+"45183","NSC641053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641053",NA,NA,NA,NA,NA,"PDBC45183","641053","Present",NA,NA
+"45184","NSC641054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641054",NA,NA,NA,NA,NA,"PDBC45184","641054","Present",NA,NA
+"45185","NSC641055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641055",NA,NA,NA,NA,NA,"PDBC45185","641055","Present",NA,NA
+"45186","NSC641056",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641056",NA,NA,NA,NA,NA,"PDBC45186","641056","Present",NA,NA
+"45187","NSC641057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641057",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(P(=O)(O)O)P(=O)(O)O.[Na+]","ICLGRFBKXBSNSE-UHFFFAOYSA-N",54611273,NA,"PDBC45187","641057","Present",NA,NA
+"45188","NSC641058",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641058",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(P(=O)(O)O)(P(=O)(O)O)P(=O)(O)O.[Na+]","HQAJMKCGKJVVQK-UHFFFAOYSA-N",54605020,NA,"PDBC45188","641058","Present",NA,NA
+"45189","NSC641059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641059",NA,"CC(C)(C)C1=CC(=C(P(=O)(O)O)P(=O)(O)O)C=C(C1=O)C(C)(C)C.[Na+]","MLHPFKPKTJVXID-UHFFFAOYSA-N",54608827,NA,"PDBC45189","641059","Present",NA,NA
+"45190","NSC641091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641091",NA,"CCN(CC)C(=CCl)NC1=CC=CC=N1.OCl(=O)(=O)=O","WEPGSVRUVDDEGA-KSIDEHCFSA-N",24202345,NA,"PDBC45190","641091","Present",NA,NA
+"45191","NSC641094",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641094",NA,"CC1=CC=C(C=C1)N(C(=O)CC(=O)NN=C(C)C2=CC3=CC=CC=C3OC2=O)C(=O)C4=CC=CC=C4Cl","XZOHEFOAGUZRBF-YKQZZPSBSA-N",5465149,NA,"PDBC45191","641094","Present",NA,NA
+"45192","NSC641097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641097",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=CC(=O)NC2=CC=CC=C2","DMYHLWRWMVTAIA-BENRWUELSA-N",54608117,NA,"PDBC45192","641097","Present",NA,NA
+"45193","NSC641102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641102",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N","ZRVUJGRCXDPKOE-LTGZKZEYSA-N",5466691,NA,"PDBC45193","641102","Present",NA,NA
+"45194","NSC641103",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641103",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2CN(C(=N2)C3=CC=CC=C3)N4C(=NC(=CC5=C(C=C(C=C5)N(CCC#N)CCC#N)C)C4=O)C6=CC=CC=C6","SVUHJIJJFGXRME-OJERWFOPSA-N",6063668,NA,"PDBC45194","641103","Present",NA,NA
+"45195","NSC641110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641110",NA,"CC1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)O1)C(C)C)C)C(C)C)C)C(C)C","VNLUJQXOEXNPSH-UYUGIJINSA-N",369354,NA,"PDBC45195","641110","Present",NA,NA
+"45196","NSC641171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641171",NA,"CC=CC=CC(=O)C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C","DTKWQCFDNRPDGR-LHOHZTISSA-N",54608118,NA,"PDBC45196","641171","Present",NA,NA
+"45197","NSC641210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641210",NA,"C1OC2=C(O1)C=C(C=C2)C3C(=NNC(=O)CCC(=O)NC4=CC=CC=C4C(F)(F)F)C(=NNC(=O)CCC(=O)NC5=CC=CC=C5C(F)(F)F)C6=CC=CC=C6O3","BAZWYQPBNWINRE-JHWGDFDMSA-N",6399328,NA,"PDBC45197","641210","Present",NA,NA
+"45198","NSC641275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641275",NA,"CN(C)CCN1C2=CC=CC3=C2C(=CC=C3)N=N1.Cl","VIVVUMSGBJIYBN-UHFFFAOYSA-N",369493,NA,"PDBC45198","641275","Present",NA,NA
+"45199","NSC641276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641276",NA,"CN(C)CC[N+]1=NC2=CC=CC3=C2C(=CC=C3)N1.[Cl-]","ASMBQDZVMDBTDP-UHFFFAOYSA-M",369495,NA,"PDBC45199","641276","Present",NA,NA
+"45200","NSC641277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641277",NA,"CN(C)CCC[N+]1=NC2=CC=CC3=C2C(=CC=C3)N1.[Cl-]","HRYGGDWVLVIEDG-UHFFFAOYSA-M",369497,NA,"PDBC45200","641277","Present",NA,NA
+"45201","NSC641278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641278",NA,"CN(C)CCCN1C2=CC=CC3=C2C(=CC=C3)N=N1.Cl","HSHWOCCEMCMIBT-UHFFFAOYSA-N",369499,NA,"PDBC45201","641278","Present",NA,NA
+"45202","NSC641280",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641280",NA,"C1=CC(=CC=C1C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=C(C=C5)Cl)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2)Cl","OGLOLQNWUAEDFC-RIGUPBQNSA-N",3000386,NA,"PDBC45202","641280","Present",NA,NA
+"45203","NSC641284",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641284",NA,"C1=CC=C(C(=C1)C2=CC(=C(C(=O)C3=C(C(=C(C=C3)OCC(=O)O)Cl)Cl)SSC(=C4C=C(SS4)C5=CC=CC=C5Cl)C(=O)C6=C(C(=C(C=C6)OCC(=O)O)Cl)Cl)SS2)Cl","RAODMWMZJGUUKI-RIGUPBQNSA-N",3000385,NA,"PDBC45203","641284","Present",NA,NA
+"45204","NSC641383",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641383",NA,"CCOC(C1C=CC(N(O1)C2=CC=C(C=C2)[N+](=O)[O-])C)OC(=O)C","IJHIEEIWVFVNRK-QUJPKXGGSA-N",369526,NA,"PDBC45204","641383","Present",NA,NA
+"45205","NSC641391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641391",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=C(C=C8)[N+](=O)[O-])C(=O)N(C6=O)C9=CC=C(C=C9)[N+](=O)[O-]","GPIYEBISFFJPLG-LKJQOOIXSA-N",369534,NA,"PDBC45205","641391","Present",NA,NA
+"45206","NSC641392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641392",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)NC7=O)C(=O)NC6=O","ZYSAVSIKQFUIOT-MKOCQCBBSA-N",369535,NA,"PDBC45206","641392","Present",NA,NA
+"45207","NSC641408",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641408",NA,"CC1=CC(=CC(=C1NC(=O)C(=NNC(C)(C)C)C(CC2=NC3=CC=CC=C3NC2=O)C(=O)OC)C)Br","UKMJGUMIWOWLKH-DFKUXCBWSA-N",5465154,NA,"PDBC45207","641408","Present",NA,NA
+"45208","NSC641413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641413",NA,"CC(=CC(=O)C(C(=NO)C(=O)OC)C(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C","QHBVVISEHPGMQR-KGENOOAVSA-N",6399329,NA,"PDBC45208","641413","Present",NA,NA
+"45209","NSC641414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641414",NA,"CC1=C(SC(=N1)C2=CN=CC=C2)C(=O)CC(=NNC(=O)N)C(=O)NC3=CC=C(C=C3)C(=O)C","PBLIVSBLUZVEIL-WPWMEQJKSA-N",5480955,NA,"PDBC45209","641414","Present",NA,NA
+"45210","NSC641415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641415",NA,"CC(C)(C)NN=C(C(C(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-])C(=O)OC)C(=O)OC","YTDYLNMYZQNHQM-LPYMAVHISA-N",5465156,NA,"PDBC45210","641415","Present",NA,NA
+"45211","NSC641416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641416",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C(=O)C(C(=O)C=C(C)C)C(=NNC(C)(C)C)C(=O)OC","VHXVWBKGQZDMRE-XIEYBQDHSA-N",5465157,NA,"PDBC45211","641416","Present",NA,NA
+"45212","NSC641437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641437",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=CC(=C(C=C3)Cl)Cl)C(=NN)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N","TXFAIOIFGNULNY-NJZRLIGZSA-N",5465164,NA,"PDBC45212","641437","Present",NA,NA
+"45213","NSC641440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641440",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=O)C3=C(C=C(C=C3)O)O)C(=NN)C(=O)NC4=CC(=CC=C4)Cl","KMBSUMWQGOTQHW-VFCFBJKWSA-N",5465167,NA,"PDBC45213","641440","Present",NA,NA
+"45214","NSC641456",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641456",NA,NA,NA,NA,NA,"PDBC45214","641456","Present",NA,NA
+"45215","NSC641467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641467",NA,NA,NA,NA,NA,"PDBC45215","641467","Present",NA,NA
+"45216","NSC641473",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641473",NA,"CC(C)N(C(C)C)[PH+]1O[PH+](O[PH+](O[PH+](O1)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mo].[Mo]","XWKWASWZEGLFML-UHFFFAOYSA-R",6711793,NA,"PDBC45216","641473","Present",NA,NA
+"45217","NSC641474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641474",NA,"CC(C)N(C(C)C)[PH+]1O[PH+](O[PH+](O[PH+](O[PH+](O1)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C)N(C(C)C)C(C)C.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Cr]","RPNKLRKTJRSGNM-UHFFFAOYSA-S",6711794,NA,"PDBC45217","641474","Present",NA,NA
+"45218","NSC641482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641482",NA,"CC(C)CN(CC(C)C)C(=O)C1CCCCC1C(=O)O","JVPOLLYQYUEDLO-KZUDCZAMSA-N",369601,NA,"PDBC45218","641482","Present",NA,NA
+"45219","NSC641485",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641485",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.[Na+]","QUWZLQZEXHMCJR-UHFFFAOYSA-N",54608773,NA,"PDBC45219","641485","Present",NA,NA
+"45220","NSC641486",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641486",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=S)NC4=C(C=CC(=C4)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C.[Na+]","WQGXUNJDJJOVMA-UHFFFAOYSA-N",54608774,NA,"PDBC45220","641486","Present",NA,NA
+"45221","NSC641535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641535",NA,"CN1CCCC2(C1)CCCC3=CC=CC=C23.Cl","NAFNMBCCNUGSGC-UHFFFAOYSA-N",369622,NA,"PDBC45221","641535","Present",NA,NA
+"45222","NSC641538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641538",NA,"C1=CC(=C(C=C1Cl)Cl)CCN2C=NC=N2.Cl","FNOOCYZUORAGSM-UHFFFAOYSA-N",369625,NA,"PDBC45222","641538","Present",NA,NA
+"45223","NSC641540",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641540",NA,"COC1=CC=C(C=C1)CCN2C=NC=N2.Cl","LPZVWEIZIHXTIV-UHFFFAOYSA-N",369629,NA,"PDBC45223","641540","Present",NA,NA
+"45224","NSC641545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641545",NA,"C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)C(=O)N","IBDDFHSAYJSBMH-UHFFFAOYSA-N",369634,NA,"PDBC45224","641545","Present",NA,NA
+"45225","NSC641600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641600",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(=NNC(=O)C2=CC=NC=C2)C3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O","IMKOUDIHGFRKIW-DIBXZPPDSA-N",135499157,NA,"PDBC45225","641600","Present",NA,NA
+"45226","NSC641602",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641602",NA,"C1=CC=C(C=C1)CC(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CO4)O","CHTOQGYSOSVQCR-XHPQRKPJSA-N",135499159,NA,"PDBC45226","641602","Present",NA,NA
+"45227","NSC641603",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641603",NA,"C1=CC=C(C=C1)CC(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CC=C4Cl)O","BZPAJRJMTBCQFV-ANYBSYGZSA-N",135499160,NA,"PDBC45227","641603","Present",NA,NA
+"45228","NSC641605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641605",NA,"C1=CC(=CC=C1NC(=O)C(=NNC(=S)NN)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)[N+](=O)[O-]","PXVGUYQJPBPWHI-OEAKJJBVSA-N",135499162,NA,"PDBC45228","641605","Present",NA,NA
+"45229","NSC641608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641608",NA,"CCC(C1C2=CC=CC=C2C(=O)O1)C(=NNC(=O)C[N+](C)(C)C)C3=CC=CC=C3.[Cl-]","LHJYAUFNWIGQCR-JMFMGIQESA-N",5480956,NA,"PDBC45229","641608","Present",NA,NA
+"45230","NSC641609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641609",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=C(C=C4)C(C(=NNS(=O)(=O)C5=CC=C(C=C5)C)C6=NC7=C(C=C(C=C7)[N+](=O)[O-])NC6=O)O)O","UKCSJHCKSPCKAU-WDIHSTDGSA-N",135499163,NA,"PDBC45230","641609","Present",NA,NA
+"45231","NSC641610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641610",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NN=C(N)N)C=CC2=CC=C(C=C2)Cl","FCVGFSZCXYXBBM-IPVGOPCVSA-N",135499164,NA,"PDBC45231","641610","Present",NA,NA
+"45232","NSC641612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641612",NA,"C1=COC(=C1)C(C(=NNC(=O)N)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O","YDIMTPKQHUYZDL-ODLFYWEKSA-N",135499165,NA,"PDBC45232","641612","Present",NA,NA
+"45233","NSC641617",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641617",NA,"CN(C)N=C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(C3=CC=CO3)O","YOVJYQOWSYMMOA-UYRXBGFRSA-N",135499168,NA,"PDBC45233","641617","Present",NA,NA
+"45234","NSC641618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641618",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C=CC2=CC=C(C=C2)Cl)C3=C(N=C(S3)NNC(=O)C)C","CNTTXOIHNNYMTK-QUTRIXMNSA-N",135499169,NA,"PDBC45234","641618","Present",NA,NA
+"45235","NSC641703",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641703",NA,"CN(C)CCNC(=O)C1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2)[N+](=O)[O-].Cl","DVOKMYYZDBJLEK-UHFFFAOYSA-N",369679,NA,"PDBC45235","641703","Present",NA,NA
+"45236","NSC641704",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641704",NA,"CN(C)CCNC(=O)C1=C(C(=CC=C1)N(C)C(=O)C2=CC=CC=C2)[N+](=O)[O-].Cl","HUFWVSIEFOGOCR-UHFFFAOYSA-N",369681,NA,"PDBC45236","641704","Present",NA,NA
+"45237","NSC641705",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641705",NA,"CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCC[N+](C)(C)[O-].Cl.[Cl-]","BICVLRACZNOPJR-UHFFFAOYSA-M",54612515,NA,"PDBC45237","641705","Present",NA,NA
+"45238","NSC641706",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641706",NA,"CCC1=C(C2=C(C=CN=C2C=C1)NCCCN(C)C)[N+](=O)[O-].Cl","RKQRBGWRJRHEDT-UHFFFAOYSA-N",369685,NA,"PDBC45238","641706","Present",NA,NA
+"45239","NSC641709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641709",NA,"CC(C)C1=C(C(=CC=C1)C(=O)NCCN(C)C)[N+](=O)[O-].Cl","GUCUHKVEUMNDRQ-UHFFFAOYSA-N",369691,NA,"PDBC45239","641709","Present",NA,NA
+"45240","NSC641754",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641754",NA,"C1=CC(=CC=C1C=C2C(=O)OC(=N2)COC3=C(C=C(C=C3)Cl)Cl)N(CCC#N)CCC#N","HEJYTEMZKXARCP-MOSHPQCFSA-N",15163401,NA,"PDBC45240","641754","Present",NA,NA
+"45241","NSC641817",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641817",NA,"C1=CC=C2C(=C1)C(OC2=O)CC(=NNC(=S)N)C3=CC=C(C=C3)Cl","KQKQPRIUCLJKSG-XSFVSMFZSA-N",5465185,NA,"PDBC45241","641817","Present",NA,NA
+"45242","NSC641832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641832",NA,"CCN(CC)CC(C(=NNC(=O)C[N+](C)(C)C)C)C(=O)NC1=C(C=CC=C1C)C.[Cl-]","VDHDWRRJSCBMBO-XWASNXTISA-N",6517012,NA,"PDBC45242","641832","Present",NA,NA
+"45243","NSC641836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641836",NA,"CN(C)CC(C1=CC=CC=C1)C(=NNC(=O)C[N+]2=CC=CC=C2)CC3=CC=CC=C3.[Cl-]","INTHIFGCWAWFNO-FSKGQQLBSA-N",5479931,NA,"PDBC45243","641836","Present",NA,NA
+"45244","NSC641837",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641837",NA,"CCCCN(CCCC)CC(C(=NNC(=O)C[N+](C)(C)C)C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-].[Cl-]","KWZBATXTMOEGDN-ZVOSEVRTSA-N",5479933,NA,"PDBC45244","641837","Present",NA,NA
+"45245","NSC641841",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641841",NA,"CCN(CC)CC(C(=NNC(=S)NN)C)C(=O)NC1=C(C=CC=C1C)C","HLYSETYBGLFICF-HMAPJEAMSA-N",5465187,NA,"PDBC45245","641841","Present",NA,NA
+"45246","NSC641842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641842",NA,"CCCCN(CCCC)CC(C(=NNC(=S)NN)C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]","FTGRUBGTMGYPGB-OYKKKHCWSA-N",5465188,NA,"PDBC45246","641842","Present",NA,NA
+"45247","NSC641844",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641844",NA,"CN(C)CC(=NNC(=O)OC)CC1=CC=CC=C1","RHTJBYIJNAKLDY-WYMLVPIESA-N",5465190,NA,"PDBC45247","641844","Present",NA,NA
+"45248","NSC641851",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641851",NA,"CC1=CC(=C(C=C1)NC(=O)CC(=NN=C(N)N)C)C","GEVFDYOKUQZCAJ-YVLHZVERSA-N",5465195,NA,"PDBC45248","641851","Present",NA,NA
+"45249","NSC641852",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641852",NA,"CC1=CC(=C(C=C1)C)NC(=O)CC(=NN=C(N)N)C","CNQQZBKDZPRCDL-YVLHZVERSA-N",5465196,NA,"PDBC45249","641852","Present",NA,NA
+"45250","NSC641854",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641854",NA,"CC(=NN=C(N)N)CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]","NBYWHLCSDACJHM-CHHVJCJISA-N",5465198,NA,"PDBC45250","641854","Present",NA,NA
+"45251","NSC641857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641857",NA,"CC(=NNC(=S)N)CC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]","NDXYKGSNOJSODA-AUWJEWJLSA-N",5465200,NA,"PDBC45251","641857","Present",NA,NA
+"45252","NSC641870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641870",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl","MGWVZTGJGGIEGJ-SSDVNMTOSA-N",5465209,NA,"PDBC45252","641870","Present",NA,NA
+"45253","NSC641876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641876",NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)C(=NNC(=O)N)C3=CC(=CC(=N3)C)C","HOSHRYQTNMVWQA-HZHRSRAPSA-N",5480958,NA,"PDBC45253","641876","Present",NA,NA
+"45254","NSC641882",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641882",NA,"CC(C)C(C1=CC=CC=C1)N=C2CC3CCC2(C3(C)C)C(=O)NC4=CC=CC=C4O","BKNBCHQJHMGYDF-UHFFFAOYSA-N",369794,NA,"PDBC45254","641882","Present",NA,NA
+"45255","NSC641988",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641988",NA,"COC(=O)C(C1=NC2=CC=CC=C2NC1=O)C(=NO)C(=O)NC3=CC=C(C=C3)Br","ALKWUQDQXSIKRU-LFVJCYFKSA-N",6399330,NA,"PDBC45255","641988","Present",NA,NA
+"45256","NSC641994",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641994",NA,"COC(=O)C(C(=NNC(=O)N)C(=O)OC)C(=O)C(=O)NC1=CC=C(C=C1)Cl","KUAQIOGYHHOVDZ-VXLYETTFSA-N",5465217,NA,"PDBC45256","641994","Present",NA,NA
+"45257","NSC641996",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC641996",NA,"CC1=CC(=C(C(=C1)Cl)NC(=O)C(=O)C(C(=NO)C(=O)OC)C(=O)OC)S(=O)(=O)O","KMFZEIBLKQAYCS-WOJGMQOQSA-N",6399331,NA,"PDBC45257","641996","Present",NA,NA
+"45258","NSC642001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642001",NA,"CC1=NC2=CC=CC=C2N=C1CC(C(=NNC(=O)N)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC","BEBKLCLJNBWQGB-ZXVVBBHZSA-N",5465218,NA,"PDBC45258","642001","Present",NA,NA
+"45259","NSC642038",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642038",NA,"C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)C(=NNC(=O)C2=CC=NC=C2)C(C3=CN=C4C=CC(=CC4=N3)[N+](=O)[O-])[N+](=O)[O-]","NCPJUBWNIPTJNR-OFWBYEQRSA-N",5479726,NA,"PDBC45259","642038","Present",NA,NA
+"45260","NSC642053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642053",NA,"C1=CC=C2C(=C1)NC(=O)C(S2=O)C(=NNC(=S)NN)C(=O)NC3=C(C=CC(=C3)Cl)Cl","UMJMVZCEQUOLQV-ZMOGYAJESA-N",5465231,NA,"PDBC45260","642053","Present",NA,NA
+"45261","NSC642057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642057",NA,"COC(=O)C(=O)C(C1=NC2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)NC1=O)C(=O)C4=NS(=O)(=O)C5=CC(=C(C=C5N4)Cl)S(=O)(=O)N","NETWKIUCFMAAAF-UHFFFAOYSA-N",6711801,NA,"PDBC45261","642057","Present",NA,NA
+"45262","NSC642062",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642062",NA,"CC1=C(C2=CC=CC=C2C(=C1NC(=O)C(=NNC(=S)N=N)C3C(=O)CC(CC3=O)(C)C)O)O","YEQAEYXAAMBNPW-WBWSGADESA-N",135499172,NA,"PDBC45262","642062","Present",NA,NA
+"45263","NSC642066",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642066",NA,"C[N+](C)(C)CC(=O)NN=C(C1C(=O)NC(=O)NC1=O)C(=O)NC2=CC=C(C=C2)Br","LLMGQATWDSMFAQ-UHFFFAOYSA-O",5479948,NA,"PDBC45263","642066","Present",NA,NA
+"45264","NSC642067",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642067",NA,"C[N+](C)(C)CC(=O)NN=C(C(C(=O)C(=O)NC1=CC=C(C=C1)F)C(=O)OC)C(=O)OC.[Cl-]","QUZNBHLQGGWQGZ-UHFFFAOYSA-N",5479949,NA,"PDBC45264","642067","Present",NA,NA
+"45265","NSC642392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642392",NA,NA,NA,NA,NA,"PDBC45265","642392","Present",NA,NA
+"45266","NSC642393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642393",NA,NA,NA,NA,NA,"PDBC45266","642393","Present",NA,NA
+"45267","NSC642394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642394",NA,NA,NA,NA,NA,"PDBC45267","642394","Present",NA,NA
+"45268","NSC642395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642395",NA,NA,NA,NA,NA,"PDBC45268","642395","Present",NA,NA
+"45269","NSC642396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642396",NA,NA,NA,NA,NA,"PDBC45269","642396","Present",NA,NA
+"45270","NSC642397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642397",NA,NA,NA,NA,NA,"PDBC45270","642397","Present",NA,NA
+"45271","NSC642398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642398",NA,NA,NA,NA,NA,"PDBC45271","642398","Present",NA,NA
+"45272","NSC642399",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642399",NA,NA,NA,NA,NA,"PDBC45272","642399","Present",NA,NA
+"45273","NSC642400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642400",NA,NA,NA,NA,NA,"PDBC45273","642400","Present",NA,NA
+"45274","NSC642401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642401",NA,NA,NA,NA,NA,"PDBC45274","642401","Present",NA,NA
+"45275","NSC642402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642402",NA,NA,NA,NA,NA,"PDBC45275","642402","Present",NA,NA
+"45276","NSC642403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642403",NA,NA,NA,NA,NA,"PDBC45276","642403","Present",NA,NA
+"45277","NSC642404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642404",NA,NA,NA,NA,NA,"PDBC45277","642404","Present",NA,NA
+"45278","NSC642405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642405",NA,NA,NA,NA,NA,"PDBC45278","642405","Present",NA,NA
+"45279","NSC642406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642406",NA,NA,NA,NA,NA,"PDBC45279","642406","Present",NA,NA
+"45280","NSC642407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642407",NA,NA,NA,NA,NA,"PDBC45280","642407","Present",NA,NA
+"45281","NSC642408",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642408",NA,NA,NA,NA,NA,"PDBC45281","642408","Present",NA,NA
+"45282","NSC642409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642409",NA,NA,NA,NA,NA,"PDBC45282","642409","Present",NA,NA
+"45283","NSC642410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642410",NA,NA,NA,NA,NA,"PDBC45283","642410","Present",NA,NA
+"45284","NSC642411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642411",NA,NA,NA,NA,NA,"PDBC45284","642411","Present",NA,NA
+"45285","NSC642412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642412",NA,NA,NA,NA,NA,"PDBC45285","642412","Present",NA,NA
+"45286","NSC642413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642413",NA,NA,NA,NA,NA,"PDBC45286","642413","Present",NA,NA
+"45287","NSC642414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642414",NA,NA,NA,NA,NA,"PDBC45287","642414","Present",NA,NA
+"45288","NSC642415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642415",NA,NA,NA,NA,NA,"PDBC45288","642415","Present",NA,NA
+"45289","NSC642416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642416",NA,NA,NA,NA,NA,"PDBC45289","642416","Present",NA,NA
+"45290","NSC642417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642417",NA,NA,NA,NA,NA,"PDBC45290","642417","Present",NA,NA
+"45291","NSC642418",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642418",NA,NA,NA,NA,NA,"PDBC45291","642418","Present",NA,NA
+"45292","NSC642419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642419",NA,NA,NA,NA,NA,"PDBC45292","642419","Present",NA,NA
+"45293","NSC642420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642420",NA,NA,NA,NA,NA,"PDBC45293","642420","Present",NA,NA
+"45294","NSC642481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642481",NA,"C1CN(CCC1C2=CC=CC=C2)CC(CC3=CC=CC4=CC=CC=C43)O.Cl","AKJHTTJYKQJKGG-UHFFFAOYSA-N",369968,NA,"PDBC45294","642481","Present",NA,NA
+"45295","NSC642485",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642485",NA,"CC(=NO)C1=CC2=C(C=C1)C3=C(C2=NO)C=C(C=C3)C(=NO)C","OELMDWGMIDHSBC-KXXAZWSYSA-N",135499175,NA,"PDBC45295","642485","Present",NA,NA
+"45296","NSC642497",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642497",NA,"CN(C)CCNC(=O)C1=CC=CC(=C1[N+](=O)[O-])CO.Cl","DBPVDCSEISMPBH-UHFFFAOYSA-N",369977,NA,"PDBC45296","642497","Present",NA,NA
+"45297","NSC642498",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642498",NA,"CN(C)CCNC(=O)C1=C(C(=CC=C1)NC(=O)C2=CC=CC=C2)[N+](=O)[O-].Cl","BGUUEMYJTLFKQC-UHFFFAOYSA-N",369979,NA,"PDBC45297","642498","Present",NA,NA
+"45298","NSC642570",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642570",NA,"CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=NNC(=O)CC(=O)NC4=CC=C(C=C4)Cl)C","XDIFPRCWMHKNKS-UVYKDYBGSA-N",5479991,NA,"PDBC45298","642570","Present",NA,NA
+"45299","NSC642571",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642571",NA,"CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)OC(=O)C(=C3)C(=NNC(=O)CC(=O)NC4=CC(=CC=C4)OC)C","ZKILCDDOIQBBKU-GNUYQPRCSA-N",5465238,NA,"PDBC45299","642571","Present",NA,NA
+"45300","NSC642572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642572",NA,"COC1=CC=CC(=C1)NC(=O)CC(=O)NN2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","LAWVUTPUQRGQFK-QRQIAZFYSA-N",6066518,NA,"PDBC45300","642572","Present",NA,NA
+"45301","NSC642573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642573",NA,"C1=CC=C(C(=C1)NC(=O)CC(=O)NN2C(=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C2=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)Cl","WNGMNKXDGMCLKZ-PKAZHMFMSA-N",5899730,NA,"PDBC45301","642573","Present",NA,NA
+"45302","NSC642576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642576",NA,"C1=CC=C(C=C1)NC(=O)C(=CC2=CC=C(C=C2)N(CCC#N)CCC#N)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","AMQKNYQSRWSDCH-ITYLOYPMSA-N",54608878,NA,"PDBC45302","642576","Present",NA,NA
+"45303","NSC642578",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642578",NA,"COC(=O)C1=CC(=NNC(=O)CC(=O)NC2=CC=CC=C2Cl)C3=CC=CC=C3O1","NDSWYZKHRJWUAF-HZHRSRAPSA-N",5465240,NA,"PDBC45303","642578","Present",NA,NA
+"45304","NSC642587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642587",NA,"C1=CC=C(C(=C1)C=C(C2=CC=CS2)C(=O)O)[N+](=O)[O-]","WLRAZXHITXEZCQ-CSKARUKUSA-N",5466751,NA,"PDBC45304","642587","Present",NA,NA
+"45305","NSC642593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642593",NA,"CCN1CCC(C(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl)(C3=CC(=C(C=C3)Cl)Cl)O.Br","MHYJYKSJRHDMGW-UHFFFAOYSA-N",370025,NA,"PDBC45305","642593","Present",NA,NA
+"45306","NSC642594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642594",NA,"CCN1CCC(C(C1)C(=O)C2=CC=CC=C2)(C3=CC=CC=C3)O.Br","DRVGRRBPSGWZAQ-UHFFFAOYSA-N",370027,NA,"PDBC45306","642594","Present",NA,NA
+"45307","NSC642595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642595",NA,"CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)O.Br","ZQOLRYVNSGJZLU-UHFFFAOYSA-N",370029,NA,"PDBC45307","642595","Present",NA,NA
+"45308","NSC642606",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642606",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)CC(=O)NC2=CC=C(C=C2)NC(=O)C(=NNS(=O)(=O)C3=CC=C(C=C3)C)C","BDZXUBWQVBLGJZ-OQIGUVFWSA-N",5933761,NA,"PDBC45308","642606","Present",NA,NA
+"45309","NSC642607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642607",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=NNC(C)(C)C)C)C)C(=NNC(C)(C)C)C","MFAQJIFLGBBOEF-RNIAWFEPSA-N",54608127,NA,"PDBC45309","642607","Present",NA,NA
+"45310","NSC642608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642608",NA,"CC(C)(C)NNC(=O)C(=CC1=CC=C(C=C1)OC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=CC=C3","VEVTZLKZIRAXMS-HAHDFKILSA-N",20835240,NA,"PDBC45310","642608","Present",NA,NA
+"45311","NSC642610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642610",NA,"CC(=NNC(=O)C[N+]1=CC=CC=C1)CC(=O)NC2=CC(=C(C=C2)Cl)Cl.[Cl-]","NIVYZGVSWDMSIZ-SDKPGJOKSA-N",5479951,NA,"PDBC45311","642610","Present",NA,NA
+"45312","NSC642614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642614",NA,"CC(=NNC(=O)C[N+](C)(C)C)CC(=O)NC1=CC(=C(C=C1)Cl)Cl.[Cl-]","JTYAWBZHXDFRSM-PEZBNFGJSA-N",5479953,NA,"PDBC45312","642614","Present",NA,NA
+"45313","NSC642616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642616",NA,"CC(=NNC(=O)N)CC(=O)NC1=CC=C(C=C1)NC(=O)CC(=NNC(=O)N)C","FLJOTYONAANWLC-KGIZCEIGSA-N",5494331,NA,"PDBC45313","642616","Present",NA,NA
+"45314","NSC642619",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642619",NA,"CC(=NNC1=CC=CC=C1)CC(=O)NC2=CC=C(CC2)NC(=O)CC(=NNC3=CC=CC=C3)C","UCKBTAFGWWDQLK-NAZWXXJZSA-N",5465244,NA,"PDBC45314","642619","Present",NA,NA
+"45315","NSC642621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642621",NA,"CN(C)C1=CC=C(C=C1)C=C(C2=CSC(=N2)C3=NC(=CS3)C(=CC4=CC=C(C=C4)N(C)C)C(=O)O)C(=O)O","DFPLOGZSKWHWDQ-JFMUQQRKSA-N",5466762,NA,"PDBC45315","642621","Present",NA,NA
+"45316","NSC642622",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642622",NA,"CN(C)NC(=O)C(=CC1=CC=C(C=C1)Cl)NC(=O)C2=CC=CC=C2","QAKXRYSWNQMJTD-VBKFSLOCSA-N",5466763,NA,"PDBC45316","642622","Present",NA,NA
+"45317","NSC642624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642624",NA,"C1=CC=C(C=C1)C=CC=C(C2=CSC(=N2)C3=NC(=CS3)C(=CC=CC4=CC=CC=C4)C(=O)O)C(=O)O","UJBUSAZATHWVAW-AWKIKHLOSA-N",20842346,NA,"PDBC45317","642624","Present",NA,NA
+"45318","NSC642626",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642626",NA,"C1=CC=C2C(=C1)C=CC(=C2C=C(C3=CSC(=N3)C4=NC(=CS4)C(=CC5=C(C=CC6=CC=CC=C65)O)C(=O)O)C(=O)O)O","ZELYVHCGBCDGKF-RNIAWFEPSA-N",5466765,NA,"PDBC45318","642626","Present",NA,NA
+"45319","NSC642629",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642629",NA,"CC(=NN=C(N)N)CC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-]","JEPVFSULDWLVIM-APSNUPSMSA-N",5482018,NA,"PDBC45319","642629","Present",NA,NA
+"45320","NSC642633",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642633",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=NN)C)C)C(=NN)C","JOWMEHSZVVZBJG-MZAUSLISSA-N",5465245,NA,"PDBC45320","642633","Present",NA,NA
+"45321","NSC642639",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642639",NA,"C1=CC=C(C=C1)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=C(C=C(C=C4)Cl)Cl)O","HITDSWDYKXJLFC-USHMODERSA-N",135499177,NA,"PDBC45321","642639","Present",NA,NA
+"45322","NSC642641",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642641",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=S)NN)C=CC5=CC=C(C=C5)[N+](=O)[O-]","UCTQJUSXJJOHGL-UMXGGMDNSA-N",9571674,NA,"PDBC45322","642641","Present",NA,NA
+"45323","NSC642645",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642645",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C(=NNC(=S)N)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O","YVWYGUXNTNDZED-HMAPJEAMSA-N",135499179,NA,"PDBC45323","642645","Present",NA,NA
+"45324","NSC642647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642647",NA,"COC1=C(C=C(C=C1)C(C(=NNC(=S)N)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O)OC","VHKDCKMENDWRGL-HAHDFKILSA-N",135499180,NA,"PDBC45324","642647","Present",NA,NA
+"45325","NSC642648",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642648",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=O)C2=CC=NC=C2)C=CC3=CC=C(C=C3)C=CC(=NNC(=O)C4=CC=NC=C4)C5=C(N=C(S5)NNC(=O)C)C","BWNGGFBCYGIXIZ-CYRDEODISA-N",135499181,NA,"PDBC45325","642648","Present",NA,NA
+"45326","NSC642651",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642651",NA,"CNN=C(C1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(C3=CC=C(C=C3)C(C(=NNC)C4=NC5=C(C=C(C=C5)[N+](=O)[O-])NC4=O)O)O","JNUXSNRWICAODT-XEMPJQOTSA-N",135499182,NA,"PDBC45326","642651","Present",NA,NA
+"45327","NSC642653",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642653",NA,"C1=CC=C(C(=C1)C(C(=NC(=S)N)C2=NC3=C(C=C(C=C3)Cl)NC2=O)O)Cl","XOPCLDNNUHWGRY-QRVIBDJDSA-N",135499183,NA,"PDBC45327","642653","Present",NA,NA
+"45328","NSC642708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642708",NA,"CC(C)OC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1)O","KCSORUCCHDBUFQ-UHFFFAOYSA-N",54687027,NA,"PDBC45328","642708","Present",NA,NA
+"45329","NSC642738",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642738",NA,"CCOC(=O)C12C3CC(C1C(=O)C4C2O4)C=C3","QUZKKHIVDFVQBQ-PJJZCNKLSA-N",370140,NA,"PDBC45329","642738","Present",NA,NA
+"45330","NSC642901",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642901",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)OS(=O)(=O)C(F)(F)F)CO)O","VQYONSKKHOQOSV-UHFFFAOYSA-N",370161,NA,"PDBC45330","642901","Present",NA,NA
+"45331","NSC642924",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642924",NA,"C(CN(CCC(=O)O)CCC(=O)O)CN(CCC(=O)O)CCC(=O)O.Cl","ZCLNCQSSBLTACM-UHFFFAOYSA-N",370181,NA,"PDBC45331","642924","Present",NA,NA
+"45332","NSC642925",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642925",NA,"C(CCN(CCC(=O)O)CCC(=O)O)CN(CCC(=O)O)CCC(=O)O.Cl","BJKBEJBBAQBECG-UHFFFAOYSA-N",370183,NA,"PDBC45332","642925","Present",NA,NA
+"45333","NSC642930",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642930",NA,"CCOC(=O)C1C2CCOC2C3=C(N1)C=CC(=C3)Cl","GHKJKXIMOFTAGT-XDTLVQLUSA-N",370189,NA,"PDBC45333","642930","Present",NA,NA
+"45334","NSC642931",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642931",NA,"CCOC(=O)C1C2CCOC2C3=C(N1)C=CC(=C3)[N+](=O)[O-]","LMLJICUYWXELEL-SKGBEAKQSA-N",370190,NA,"PDBC45334","642931","Present",NA,NA
+"45335","NSC642932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642932",NA,"CCOC(=O)C1C2CCOC2C3=CC=CC=C3N1","YDUVBBPJXPHEIM-RDWQBYKPSA-N",370191,NA,"PDBC45335","642932","Present",NA,NA
+"45336","NSC642935",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642935",NA,"CCOC(=O)C1C2CCOC2C3=C(N1)C(=CC=C3)[N+](=O)[O-]","LSBZGHKWZHJEQW-TVYUQYBPSA-N",370194,NA,"PDBC45336","642935","Present",NA,NA
+"45337","NSC642936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642936",NA,"CCOC(=O)C1C2CC3=CC=CC=C3C2C4=C(N1)C=CC(=C4)C","ZOAXSKNXGODNLZ-KVZIAJEVSA-N",370195,NA,"PDBC45337","642936","Present",NA,NA
+"45338","NSC642937",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642937",NA,"CCOC(=O)C1C2CC3=CC=CC=C3C2C4=C(N1)C=CC(=C4)O","VKIFYMRBLHCVQC-VJFUWPCTSA-N",370196,NA,"PDBC45338","642937","Present",NA,NA
+"45339","NSC642938",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642938",NA,"CCOC(=O)C1C2CC3=CC=CC=C3C2C4=CC=CC=C4N1","AMIRNFOXZZCGBG-VJFUWPCTSA-N",370197,NA,"PDBC45339","642938","Present",NA,NA
+"45340","NSC642939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642939",NA,"CCOC(=O)C1C2CC3=CC=CC=C3C2C4=C(N1)C=CC(=C4)OC","AAHKFWHWVBZUCP-KVZIAJEVSA-N",370198,NA,"PDBC45340","642939","Present",NA,NA
+"45341","NSC642940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642940",NA,"CCOC(=O)C1C2CC3=CC=CC=C3C2C4=C(N1)C=CC(=C4)[N+](=O)[O-]","CXZFJVXIIXNXKO-VJFUWPCTSA-N",370199,NA,"PDBC45341","642940","Present",NA,NA
+"45342","NSC642941",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642941",NA,"C1C2C(C3=CC=CC=C31)C4=C(C=CC(=C4)Cl)NC2C(=O)C5=CC=CC=C5","XUTQDVBWBVTKPY-VTLFHKLASA-N",370200,NA,"PDBC45342","642941","Present",NA,NA
+"45343","NSC642942",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642942",NA,"CCOC(=O)C1C2CC3=CC=CC=C3C2C4=C(N1)C(=CC=C4)[N+](=O)[O-]","IRTZTCMYCUEHMN-PVARCSIZSA-N",370201,NA,"PDBC45343","642942","Present",NA,NA
+"45344","NSC642943",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642943",NA,"CCOC(=O)C1=[NH+]C2=C(C=C(C=C2)OC)C3=C1CC4=CC=CC=C43","QVGVPRHPKGQJCM-UHFFFAOYSA-O",24202360,NA,"PDBC45344","642943","Present",NA,NA
+"45345","NSC642944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642944",NA,"CCOC(=O)C1=[NH+]C2=C(C=C(C=C2)Cl)C3=C1CC4=CC=CC=C43","RNWPZTFMLYNAEU-UHFFFAOYSA-O",24202361,NA,"PDBC45345","642944","Present",NA,NA
+"45346","NSC642945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642945",NA,"C1C2=CC=CC=C2C3=C1C(=[NH+]C4=C3C=C(C=C4)Cl)C(=O)C5=CC=CC=C5","XSOHPQNWZGFDPR-UHFFFAOYSA-O",24202362,NA,"PDBC45346","642945","Present",NA,NA
+"45347","NSC642956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642956",NA,"C1C2C(C3=C(C=NC=C3)NC2C(=O)C4=CC=CC=C4)C5=CC=CC=C51","MABJQSJTJDPFNQ-MNLRITNHSA-N",370212,NA,"PDBC45347","642956","Present",NA,NA
+"45348","NSC642957",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642957",NA,"C1CC2C(C1)C3=C(C=CC(=C3)Cl)NC2C(=O)C4=CC=CC=C4","POUGHTRFAOSGNI-DAYGRLMNSA-N",370213,NA,"PDBC45348","642957","Present",NA,NA
+"45349","NSC642958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642958",NA,"CCOC(=O)C1C2CCCC2C3=C(N1)C=CC(=C3)Cl","XDXFRRBUKGOJKG-WDMOLILDSA-N",370214,NA,"PDBC45349","642958","Present",NA,NA
+"45350","NSC642959",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642959",NA,"CCOC(=O)C1C2C(C3=CC=CC=C3O2)C4=C(N1)C=CC(=C4)Cl","WEXSPHCAMRHHNV-IXDOHACOSA-N",370215,NA,"PDBC45350","642959","Present",NA,NA
+"45351","NSC642960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642960",NA,"C1CC2C(C3=C(C=CC(=C3)Cl)NC2C(=O)C4=CC=CC=C4)OC1","BDGAMEFZKMBGBT-FNHZYXHNSA-N",370216,NA,"PDBC45351","642960","Present",NA,NA
+"45352","NSC642962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642962",NA,"COC1(C(C2CCOC2O1)C3=CC=C(C=C3)Cl)C4=CC=CC=C4","UCARDUKNNKSRCJ-MSRNWOCLSA-N",6711813,NA,"PDBC45352","642962","Present",NA,NA
+"45353","NSC642963",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642963",NA,"C1C(C2=C(C=CC(=C2)Cl)NC1C(=O)C3=CC=CC=C3)SC4=CC=CC=C4","LJXFQIJOTMTCOP-SFTDATJTSA-N",370219,NA,"PDBC45353","642963","Present",NA,NA
+"45354","NSC642965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642965",NA,"C1=CC=C(C=C1)C(=O)C2C3C(C4=CC=CC=C4O3)C5=C(N2)C=CC(=C5)Cl","YJCAMRNHQWFCNL-KCZVDYSFSA-N",370221,NA,"PDBC45354","642965","Present",NA,NA
+"45355","NSC643004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643004",NA,"CC12C3=CC=CC=C3[Se]C1(C4=CC=CC=C4[Se]2)C","PUEJUYUFIJNYRH-HOTGVXAUSA-N",370235,NA,"PDBC45355","643004","Present",NA,NA
+"45356","NSC643120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643120",NA,NA,NA,NA,NA,"PDBC45356","643120","Present",NA,NA
+"45357","NSC643121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643121",NA,NA,NA,NA,NA,"PDBC45357","643121","Present",NA,NA
+"45358","NSC643122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643122",NA,NA,NA,NA,NA,"PDBC45358","643122","Present",NA,NA
+"45359","NSC643133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643133",NA,"C1=CC=C(C=C1)C(=CC2=CC=C(C=C2)Cl)C(=O)C3=CC=CC=C3","CFOUQRQVAWHVTI-HKWRFOASSA-N",5466801,NA,"PDBC45359","643133","Present",NA,NA
+"45360","NSC643412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643412",NA,NA,NA,NA,NA,"PDBC45360","643412","Present",NA,NA
+"45361","NSC643414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643414",NA,"CC1CC2C(C3=C1C4=CC=CC=C4N3C)C(=O)NC2=O","MYMVOVGXMLVFPL-HLGRJFAPSA-N",370351,NA,"PDBC45361","643414","Present",NA,NA
+"45362","NSC643415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643415",NA,"CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC(=CC=C5)OC","CZRACNQNAQNBFL-MEUUCOCJSA-N",370352,NA,"PDBC45362","643415","Present",NA,NA
+"45363","NSC643416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643416",NA,"CC1CC2C(C3=C1C4=CC=CC=C4N3)C(=O)N(C2=O)C5=CC=C(C=C5)OC","WCKFQFJHMVYTQQ-MEUUCOCJSA-N",370353,NA,"PDBC45363","643416","Present",NA,NA
+"45364","NSC643419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643419",NA,"COC(=O)C1C2C(CC3=C1NC4=CC=CC=C34)C5=CC=CC=C5NC2=O","JSHAFXTUJJAOGX-BVGQSLNGSA-N",370356,NA,"PDBC45364","643419","Present",NA,NA
+"45365","NSC643423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643423",NA,"CC1(C2=CC=CC=C2N3C1(C4C(O3)C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6)C","MCCHWVUZEMUSLZ-SGNGHUOJSA-N",370360,NA,"PDBC45365","643423","Present",NA,NA
+"45366","NSC643424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643424",NA,"C1C=CC2C1C(C(=O)N2O)C3=CC=C(C=C3)Cl","OTCWQBFEIBDCTF-TUAOUCFPSA-N",6711815,NA,"PDBC45366","643424","Present",NA,NA
+"45367","NSC643425",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643425",NA,"C1C=CC2C1C(C(=O)N2O)C3=CC=C(C=C3)C(=O)O","IBJUNFZFIQHTSG-TUAOUCFPSA-N",6711816,NA,"PDBC45367","643425","Present",NA,NA
+"45368","NSC643426",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643426",NA,"C1CC2C(C1)NC(=O)C2C3=CC=C(C=C3)Cl","PBXPNMCDHLHTPN-TUAOUCFPSA-N",6711817,NA,"PDBC45368","643426","Present",NA,NA
+"45369","NSC643427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643427",NA,"C1CC2C(C1)NC(=O)C2C3=CC=C(C=C3)N","WQJFEZCFBOSBHC-GRYCIOLGSA-N",6711818,NA,"PDBC45369","643427","Present",NA,NA
+"45370","NSC643516",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643516",NA,"COC1=CC2=C(C=C1)NC(=O)C2CCN.Cl","KOGOLQYANYFEAH-UHFFFAOYSA-N",370417,NA,"PDBC45370","643516","Present",NA,NA
+"45371","NSC643518",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643518",NA,"C1CNC(C12C3=CC=CC=C3NC2=O)CC4=CC=CC=C4.Cl","GZTYVJZUJXBFHN-UHFFFAOYSA-N",370420,NA,"PDBC45371","643518","Present",NA,NA
+"45372","NSC643519",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643519",NA,"CN1CCC2=C(CC1)NC3=C2C=C(C=C3)OC.I","JVPHJJFMBSPZQH-UHFFFAOYSA-N",370422,NA,"PDBC45372","643519","Present",NA,NA
+"45373","NSC643731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643731",NA,"CCCC1CC2CCCCN2C3N1CCC3","LYCOMYYBFDXJFS-ILMHWDKJSA-N",370510,NA,"PDBC45373","643731","Present",NA,NA
+"45374","NSC643773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643773",NA,"CCN(CC)C(=CC1=CC=C(C=C1)C(=O)OC)C(=O)OCC","OYJBPOYZDVQSCS-QINSGFPZSA-N",5466823,NA,"PDBC45374","643773","Present",NA,NA
+"45375","NSC643775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643775",NA,"CCN(CC)C(=CC1=CC=CC=C1)C(=O)OCC","OGXGGCUNOIPZKY-OWBHPGMISA-N",5466824,NA,"PDBC45375","643775","Present",NA,NA
+"45376","NSC643776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643776",NA,"CCN(CC)C(=CC1=CC=C(C=C1)OC)C(=O)OCC","PAYJFZVHXZZMEN-QINSGFPZSA-N",5466825,NA,"PDBC45376","643776","Present",NA,NA
+"45377","NSC643777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643777",NA,"CCN(CC)C(=CC1=CC(=CC=C1)OC)C(=O)OCC","QMWCGAYAQAFDDW-QINSGFPZSA-N",5466826,NA,"PDBC45377","643777","Present",NA,NA
+"45378","NSC643779",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643779",NA,"CCN(CC)C(=CC1=CC=C(C=C1)C#N)C(=O)OCC","VRZXPTVDPMRBJL-PTNGSMBKSA-N",5466828,NA,"PDBC45378","643779","Present",NA,NA
+"45379","NSC643780",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643780",NA,"CCN(CC)C(=CC1=CC(=CC=C1)C#N)C(=O)OCC","PQJFAHXZEQGRDI-PTNGSMBKSA-N",5466829,NA,"PDBC45379","643780","Present",NA,NA
+"45380","NSC643781",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643781",NA,"CCN(CC)C(=CC1=CC=C(C=C1)Cl)C(=O)OCC","SDUDDSUANBGCCP-KAMYIIQDSA-N",5466830,NA,"PDBC45380","643781","Present",NA,NA
+"45381","NSC643782",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643782",NA,"CCN(CC)C(=CC1=CC(=CC=C1)Cl)C(=O)OCC","QJQWJWBCJJHSDE-KAMYIIQDSA-N",5466831,NA,"PDBC45381","643782","Present",NA,NA
+"45382","NSC643783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643783",NA,"CCN(CC)C(=CC1=CC=C(C=C1)C(F)(F)F)C(=O)OCC","KNECNOBGLUBBDQ-KAMYIIQDSA-N",5466832,NA,"PDBC45382","643783","Present",NA,NA
+"45383","NSC643786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643786",NA,"COC1C(=[N+]=[N-])C(=O)NC(=O)N1C2C(C(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)O)O","WCAMXIYMDLPOGZ-UHFFFAOYSA-N",370559,NA,"PDBC45383","643786","Present",NA,NA
+"45384","NSC643788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643788",NA,"CCOC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","ZQTYBMPVJXKDAO-UHFFFAOYSA-N",370562,NA,"PDBC45384","643788","Present",NA,NA
+"45385","NSC643790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643790",NA,"CC(C)(C)N=NNC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","AFMJAEUQGBFPRD-UHFFFAOYSA-N",370564,NA,"PDBC45385","643790","Present",NA,NA
+"45386","NSC643806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643806",NA,NA,NA,NA,NA,"PDBC45386","643806","Present",NA,NA
+"45387","NSC643807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643807",NA,NA,NA,NA,NA,"PDBC45387","643807","Present",NA,NA
+"45388","NSC643808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643808",NA,NA,NA,NA,NA,"PDBC45388","643808","Present",NA,NA
+"45389","NSC643809",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643809",NA,NA,NA,NA,NA,"PDBC45389","643809","Present",NA,NA
+"45390","NSC643810",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643810",NA,NA,NA,NA,NA,"PDBC45390","643810","Present",NA,NA
+"45391","NSC643811",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643811",NA,NA,NA,NA,NA,"PDBC45391","643811","Present",NA,NA
+"45392","NSC643826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643826",NA,"CCCCCCCCCCCCCCCCCCN(C)C(COC)COP(=O)([O-])OCC[N+](C)(C)C","QISJQFBOXNKZNQ-UHFFFAOYSA-N",131966,NA,"PDBC45392","643826","Present",NA,NA
+"45393","NSC643827",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643827",NA,"CCCCCCCCCCCCCCCCCCN(C)CC(COC)OP(=O)([O-])OCC[N+](C)(C)C","MAWNMMWIOFZBOQ-UHFFFAOYSA-N",131972,NA,"PDBC45393","643827","Present",NA,NA
+"45394","NSC643926",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643926",NA,"C1COC(C(OCCOCCOC(C(OCCO1)C(=O)O)C(=O)O)C(=O)O)C(=O)O","FZERLKNAJSFDSQ-HBIQZDMRSA-N",370633,NA,"PDBC45394","643926","Present",NA,NA
+"45395","NSC643980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643980",NA,"CCN(CC)CCC1(CCC(=O)NC1=O)C2CCCCC2.Cl","JYGBBABSCNERDS-UHFFFAOYSA-N",370637,NA,"PDBC45395","643980","Present",NA,NA
+"45396","NSC643994",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643994",NA,"CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)Cl)SCCN.Cl","IGQZISVALMQTQZ-UHFFFAOYSA-N",370645,NA,"PDBC45396","643994","Present",NA,NA
+"45397","NSC643995",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC643995",NA,"CN1CC(=CC=CC2=CC=CC=C2)C(=O)C(=CC=CC3=CC=CC=C3)C1.Cl","SHXWTFRPCPCFJE-IYHCZGHNSA-N",54608087,NA,"PDBC45397","643995","Present",NA,NA
+"45398","NSC644068",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644068",NA,"C1CC2N(C1)C(C(O2)C3=CC=NC=C3)C4=CC=NC=C4","YMIAQOQJRCPDAS-QMRHZFGWSA-N",370681,NA,"PDBC45398","644068","Present",NA,NA
+"45399","NSC644069",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644069",NA,"C1CC2C(=O)OC(N2C1)C(Cl)(Cl)Cl","GWQBXRYSVSZLSL-BAFYGKSASA-N",6711823,NA,"PDBC45399","644069","Present",NA,NA
+"45400","NSC64408",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC64408",NA,"C[N+](C)(C)CC(=O)NN=CC1=C(C=CC2=CC=CC=C21)O.[Cl-]","LRMFJULEJLMCAY-UHFFFAOYSA-N",135422187,NA,"PDBC45400","64408","Present",NA,NA
+"45401","NSC644188",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644188",NA,NA,NA,NA,NA,"PDBC45401","644188","Present",NA,NA
+"45402","NSC644189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644189",NA,NA,NA,NA,NA,"PDBC45402","644189","Present",NA,NA
+"45403","NSC644190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644190",NA,NA,NA,NA,NA,"PDBC45403","644190","Present",NA,NA
+"45404","NSC644191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644191",NA,NA,NA,NA,NA,"PDBC45404","644191","Present",NA,NA
+"45405","NSC644210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644210",NA,"CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC=C)C)C)C(C)C)C","XIYSEKITPHTMJT-WYTZBOCLSA-N",370709,NA,"PDBC45405","644210","Present",NA,NA
+"45406","NSC644218",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644218",NA,"CN(C)CCNC(=O)CN1C=C(C(=O)C2=CC=CC=C21)[N+](=O)[O-].Cl","QYSGHGPKVHHBJO-UHFFFAOYSA-N",370716,NA,"PDBC45406","644218","Present",NA,NA
+"45407","NSC644220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644220",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)OC3=C(C=CC=C3O2)[N+](=O)[O-].Cl","ZFHOALCHKWZLGC-UHFFFAOYSA-N",370719,NA,"PDBC45407","644220","Present",NA,NA
+"45408","NSC644221",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644221",NA,"CN(C)CCNC(=O)C1=C2C(=CC=C1)OC3=CC=CC(=C3O2)[N+](=O)[O-].Cl","XUIFJAMZXWXRLO-UHFFFAOYSA-N",370721,NA,"PDBC45408","644221","Present",NA,NA
+"45409","NSC644226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644226",NA,"CC(C)CC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)N2CC3CC2C=C3","JCBOOAVKBRDYMB-GUMHCPJTSA-N",6711826,NA,"PDBC45409","644226","Present",NA,NA
+"45410","NSC644275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644275",NA,"COC(=O)C(=C1CC1COCC2=CC=CC=C2)Cl","JVIKDNHESWBKRY-OUKQBFOZSA-N",5867163,NA,"PDBC45410","644275","Present",NA,NA
+"45411","NSC644276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644276",NA,"CC12CCC(=O)N1C(C(O2)C3=CC=CC=C3)C4=CC=CC=C4","ZLBSOYZDIUTUEO-PAMZHZACSA-N",370753,NA,"PDBC45411","644276","Present",NA,NA
+"45412","NSC644277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644277",NA,"CC12C3CC3(C(=O)N1C(C(O2)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6","COQHVGKKFNVPQW-SHVOXXEISA-N",370754,NA,"PDBC45412","644277","Present",NA,NA
+"45413","NSC644278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644278",NA,"COC1=C(C=C(C=C1)C2=NC(C(O2)C3=CC=CC=C3)CO)OC","VVQQEIOHGUNKLA-JRZJBTRGSA-N",370755,NA,"PDBC45413","644278","Present",NA,NA
+"45414","NSC644279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644279",NA,"C1CC2=CC=CC=C2C3(C1CC=O)CCC(=O)CC3","AUNNUNDBVJGLSU-CQSZACIVSA-N",370756,NA,"PDBC45414","644279","Present",NA,NA
+"45415","NSC644283",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644283",NA,"C1C2C=CC3=CC=CC=C3C24CC(C1O)C(=O)C=C4","SKLAXNYRVQGISN-PSPNYPNSSA-N",6711827,NA,"PDBC45415","644283","Present",NA,NA
+"45416","NSC644292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644292",NA,"CC(C)(C)C(COC)N=CN1CCC2=CC(=C(C=C2C1)OC)OC","PCRRABGRVUXJCO-GOSISDBHSA-N",370769,NA,"PDBC45416","644292","Present",NA,NA
+"45417","NSC644294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644294",NA,"CC1C2=CC(=C(C=C2CCN1C=NC(COC)C(C)(C)C)OC)OC","CUMIWCFBUYWGMR-IFXJQAMLSA-N",370771,NA,"PDBC45417","644294","Present",NA,NA
+"45418","NSC644296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644296",NA,"CC(COC)N=CN1CCC2=CC=CC=C2C1(CC3=CC=CC=C3)CC4=CC=CC=C4","SMCUCTRIHYCKIK-QHCPKHFHSA-N",5466843,NA,"PDBC45418","644296","Present",NA,NA
+"45419","NSC644299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644299",NA,"CC(C)C1COC2(N1C(=O)CC2)C","NUUDVADIQSLTCN-LHIURRSHSA-N",370776,NA,"PDBC45419","644299","Present",NA,NA
+"45420","NSC644300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644300",NA,"CC1CC(=O)N2C(COC2O1)C(C)C","JVVDCSIOVVWLMN-NQMVMOMDSA-N",6711828,NA,"PDBC45420","644300","Present",NA,NA
+"45421","NSC644304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644304",NA,"CC(C(C1=CC=CC=C1)OC)N(C)C2=C(C3=CC=CC=C3C=C2)C4=NC(CO4)(C)C","CDHFWSOYAGMZTI-UUOWRZLLSA-N",5466844,NA,"PDBC45421","644304","Present",NA,NA
+"45422","NSC644312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644312",NA,"CC(C)C1COC2(N1C(=O)C3C2CN(C3)CC4=CC=CC=C4)C","UEVPYIDZJWMMTF-DODZYUBVSA-N",370789,NA,"PDBC45422","644312","Present",NA,NA
+"45423","NSC644313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644313",NA,"C1=C(NNC(=N1)C(=O)O)C(=O)O.[Na+]","PPCMOAHRXQTLTF-UHFFFAOYSA-N",54608861,NA,"PDBC45423","644313","Present",NA,NA
+"45424","NSC644316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644316",NA,"CC1=CC(=O)N2C(COC2O1)C(C)C","NMWNOZRZCVJUBI-PSASIEDQSA-N",370794,NA,"PDBC45424","644316","Present",NA,NA
+"45425","NSC644317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644317",NA,"CC1=CC(=O)N2C(COC2O1)C3=CC=CC=C3","FDKKMTOWLKNJKX-JTDNENJMSA-N",370795,NA,"PDBC45425","644317","Present",NA,NA
+"45426","NSC644320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644320",NA,"COC1=CC2=C(C=C1)C3CC(=O)C4=C(N3CC2)CCC4","KBRJFNHWAHLRLW-INIZCTEOSA-N",370798,NA,"PDBC45426","644320","Present",NA,NA
+"45427","NSC644323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644323",NA,"CC1=CC=C(C=C1)S(=O)(=O)ONN=C2C3CCCCC3C4C2O4","AVTXTHBQNZOKPF-CCQISHGCSA-N",50990881,NA,"PDBC45427","644323","Present",NA,NA
+"45428","NSC644335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644335",NA,"CN1CC2CC(=O)CCC2CC1C#N","NHACCUQFWWCSRQ-UTLUCORTSA-N",370814,NA,"PDBC45428","644335","Present",NA,NA
+"45429","NSC644458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644458",NA,NA,NA,NA,NA,"PDBC45429","644458","Present",NA,NA
+"45430","NSC644576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644576",NA,"CC12C3CCCC1C(C(=O)N2CC3)OC(=O)C(C4=CC=CC=C4)OC","WZYASLSZPJTLDO-SSIICEJASA-N",370854,NA,"PDBC45430","644576","Present",NA,NA
+"45431","NSC644577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644577",NA,"CC12C3CCC1C(C(=O)N2CC3)OC(=O)C(C4=CC=CC=C4)OC","XTAGYWVBMDSJKJ-FJGTUQKNSA-N",370855,NA,"PDBC45431","644577","Present",NA,NA
+"45432","NSC644581",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644581",NA,"C1=CC=C2C(=C1)C(=CN2)C=NN=C(N)N.[N+](=O)(O)[O-]","JVXJIWHVLOMLFD-JSSTZBRYSA-N",135400444,NA,"PDBC45432","644581","Present",NA,NA
+"45433","NSC644583",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644583",NA,"COC1=CC=CC=C1N=C(N)NN=CC2=CNC3=CC=CC=C32.I","XZOWANRPJRGFLH-DOELHFPHSA-N",135499199,NA,"PDBC45433","644583","Present",NA,NA
+"45434","NSC644620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644620",NA,"CC1C(OC(O1)C2=C3CC(OC3=C4C(=C2OC)C(=O)C5=CC=CC=C5C4=O)(C)C)C","DEYWFKTUCIHOIW-CSJRNEBKSA-N",370885,NA,"PDBC45434","644620","Present",NA,NA
+"45435","NSC644621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644621",NA,"CCOC(=O)NC1=NC(=C2C(=C1)N=NC(=N2)C3=CC=CC=C3)N.Cl","UVLPMTXQNNNGMF-UHFFFAOYSA-N",370886,NA,"PDBC45435","644621","Present",NA,NA
+"45436","NSC644623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644623",NA,"CC12C3CC3C(=O)N1C(CO2)C(C)(C)C","VHHFGAMGEDDOHE-FNOROQBZSA-N",370889,NA,"PDBC45436","644623","Present",NA,NA
+"45437","NSC644624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644624",NA,"CC(C)(C)C1COC2(N1C(=O)C3C2C3)C4=CC=CC=C4","KJJCIIDTTZABRV-ZOMKSWQUSA-N",370890,NA,"PDBC45437","644624","Present",NA,NA
+"45438","NSC644638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644638",NA,"CC1=CC(=C(C(=C1)C)C(=O)C=CC2=CC=CC=C2)C","FLJAEHNSTVEODG-MDZDMXLPSA-N",5355477,NA,"PDBC45438","644638","Present",NA,NA
+"45439","NSC644700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644700",NA,"CC1(C2=CC=CC=C2C3(N(C1=O)C(C(O3)C4=CC=CC=C4)CO)C)CC5=CC=CC=C5","CQKFCMLVEDQLFU-DYSSBXOZSA-N",6711832,NA,"PDBC45439","644700","Present",NA,NA
+"45440","NSC644729",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644729",NA,"COC1=CC=C(C=C1)C(C2C3=CC=CC=C3OC2=O)C(=NNC(=S)NN)C4=CC=C(C=C4)OC","FAEGECRBIMIFGK-WEMUOSSPSA-N",5465292,NA,"PDBC45440","644729","Present",NA,NA
+"45441","NSC644731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644731",NA,"C1=COC(=C1)C(C(=NN=C(N)N)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)O","GOKLMCLPXMCDON-JAIQZWGSSA-N",135499202,NA,"PDBC45441","644731","Present",NA,NA
+"45442","NSC644733",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644733",NA,"C[N+](C)(C)CC(=O)NN=C(CC1C2=CC=CC=C2C(=O)O1)C=CC3=CC=CC=C3.[Cl-]","FLJFVKXQRCIOIQ-OAMSFDQWSA-N",6474140,NA,"PDBC45442","644733","Present",NA,NA
+"45443","NSC644736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644736",NA,"CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=NNC(=S)NN)C2C(=O)NC(=S)S2","DIFVXQFVTKOSRM-QGMBQPNBSA-N",9571677,NA,"PDBC45443","644736","Present",NA,NA
+"45444","NSC644749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644749",NA,"CC(C)(C)NN=C(CC1=C(C(=O)C=CO1)O)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","XVOMJAHJARLQPW-UDWIEESQSA-N",5465297,NA,"PDBC45444","644749","Present",NA,NA
+"45445","NSC644763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644763",NA,"COC(=O)C(C1=NC2=CC=CC=C2N=C1)C(=NNC(=S)N)C(=O)NC3=CC=CC=C3[N+](=O)[O-]","GJKKDQNOEGHAPX-KOEQRZSOSA-N",5465298,NA,"PDBC45445","644763","Present",NA,NA
+"45446","NSC644777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644777",NA,"CC1=CC(=C(C=C1)NC(=O)C(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C=CC4=CC=CC=C4)C","YHYNNFTUUWTGOF-FYWRMAATSA-N",5805325,NA,"PDBC45446","644777","Present",NA,NA
+"45447","NSC644789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644789",NA,"C1=CC=C(C=C1)C=CC(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N","NADTWEFFTYQYFR-JLHYYAGUSA-N",6014280,NA,"PDBC45447","644789","Present",NA,NA
+"45448","NSC644796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644796",NA,"C1=CC=C(C=C1)C=CC(=O)C(C2C3=CC=CC=C3C(=O)O2)C(=O)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","OELAZIOOJNXHDH-JLHYYAGUSA-N",6148734,NA,"PDBC45448","644796","Present",NA,NA
+"45449","NSC644813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644813",NA,"C1=CC2=C(C=CN=C2C=C1Cl)NCCCO.Cl","HDXWQPXSGNPLBG-UHFFFAOYSA-N",370994,NA,"PDBC45449","644813","Present",NA,NA
+"45450","NSC644861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644861",NA,"C(CO)C1C(=O)N(C(=NN=C2N(C(=O)C(S2)CCO)N)S1)N","IXGCXOQYZIQOOT-UTLPMFLDSA-N",5465300,NA,"PDBC45450","644861","Present",NA,NA
+"45451","NSC644930",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644930",NA,NA,NA,NA,NA,"PDBC45451","644930","Present",NA,NA
+"45452","NSC645016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645016",NA,"COC1=C(C=C2C3C(CSC(=NC4=CC=CC=C4)N3CCC2=C1)COC(=O)C5=CC=CC=C5)OC","BINHNFLHRHWFOO-ZTDHTWSHSA-N",371073,NA,"PDBC45452","645016","Present",NA,NA
+"45453","NSC645154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645154",NA,"CN(C)CCCSC1=C2C=CC(=CC2=NC3=CC=CC=C31)NCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CNC6=CC7=NC8=CC=CC=C8C(=C7C=C6)SCCCN(C)C.Br","HHFPKSRHJZTLHW-UHFFFAOYSA-N",371150,NA,"PDBC45453","645154","Present",NA,NA
+"45454","NSC645155",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645155",NA,"CCN(CC)CCSC1=C2C=CC(=CC2=NC3=CC=CC=C31)NCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CNC6=CC7=NC8=CC=CC=C8C(=C7C=C6)SCCN(CC)CC.Br","QOXHZSRGDSMVJI-UHFFFAOYSA-N",371152,NA,"PDBC45454","645155","Present",NA,NA
+"45455","NSC645156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645156",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)SCC(=O)NC4=CC=CC=C4C5=CC=CC=C5NC(=O)CSC6=C7C=CC=CC7=NC8=CC=CC=C86.Cl","CAJUNKBDAWRKDF-UHFFFAOYSA-N",371154,NA,"PDBC45455","645156","Present",NA,NA
+"45456","NSC645243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645243",NA,"CN1CCC2=CC(=C(C(=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)OC.Cl","IVDVBQQKZLQNDY-UHFFFAOYSA-N",371189,NA,"PDBC45456","645243","Present",NA,NA
+"45457","NSC645245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645245",NA,"CN1CC2=CC(=C(C=C2CC1CC3=CC=C(C=C3)OC)OC)OC.Cl","JOVXOZPQBIESJA-UNTBIKODSA-N",371193,NA,"PDBC45457","645245","Present",NA,NA
+"45458","NSC645247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645247",NA,"COC1=C(C=C2C3CC4=CC(=C(C=C4C(N3CC=C)CC2=C1)OC)OC)OC.Cl","PYQWOIMVLKFLCH-UHFFFAOYSA-N",371195,NA,"PDBC45458","645247","Present",NA,NA
+"45459","NSC645248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645248",NA,"COC1=CC2=C(C=C1)C=CN=C2CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC.Cl","VJCGQTAIMQSXNH-UHFFFAOYSA-N",371197,NA,"PDBC45459","645248","Present",NA,NA
+"45460","NSC645249",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645249",NA,"COC1=CC=C(C=C1)CCC2C3=CC(=C(C=C3CCN2)OC)OC.Cl","LNEYNPJFOFIOSE-UHFFFAOYSA-N",371199,NA,"PDBC45460","645249","Present",NA,NA
+"45461","NSC645291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645291",NA,"CCOC1=C(C=C2C=[N+](C3=C(C2=C1)C=CC4=CC(=C(C=C43)OC)OC)C)OC.[Cl-]","ROTFEXIKVVGHKI-UHFFFAOYSA-M",12237802,NA,"PDBC45461","645291","Present",NA,NA
+"45462","NSC645294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645294",NA,"CC(C)OC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)[N+](=CC2=C1)C)OC.[Cl-]","KGWPPAWSVMBJNY-UHFFFAOYSA-M",371235,NA,"PDBC45462","645294","Present",NA,NA
+"45463","NSC645301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645301",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC=CC=C4C=C3)OC)OC.COC1=C(C=C2C3=C(C4=CC=CC=C4C=C3)N=CC2=C1)OC.CS(=O)(=O)[O-]","CEQNRGGKMAGHRS-UHFFFAOYSA-M",24202370,NA,"PDBC45463","645301","Present",NA,NA
+"45464","NSC645309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645309",NA,"COC[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC.[Cl-]","KCSLOPQAUBWCFA-UHFFFAOYSA-M",371250,NA,"PDBC45464","645309","Present",NA,NA
+"45465","NSC645311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645311",NA,"CCOC1=C(C=C2C3=C(C4=CC(=C(C=C4C=C3)OC)OC)[N+](=CC2=C1)C)OC.[Cl-]","XOPYVSLLERHMMU-UHFFFAOYSA-M",371253,NA,"PDBC45465","645311","Present",NA,NA
+"45466","NSC645322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645322",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)F","QCFYOWPDDDFAIZ-GOZJIAEGSA-N",371263,NA,"PDBC45466","645322","Present",NA,NA
+"45467","NSC645323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645323",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OC)C(=O)N(C3=O)C6=CC=CC=C6","GYDRQKXJGYPHAU-XQNJCCOYSA-N",371264,NA,"PDBC45467","645323","Present",NA,NA
+"45468","NSC645324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645324",NA,"CC1CC2C(C3=C1C4=C(N3)C=CC(=C4)Br)C(=O)N(C2=O)C5=CC=CC=C5","YFXXSWVTLMFPCC-PSZVPEGOSA-N",6711862,NA,"PDBC45468","645324","Present",NA,NA
+"45469","NSC645325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645325",NA,"CC1CC2C(C3=C1C4=C(N3)C=CC(=C4)OC)C(=O)N(C2=O)C5=CC=CC=C5","SFCLGEAVEWJOBM-GFJSAUFNSA-N",6711863,NA,"PDBC45469","645325","Present",NA,NA
+"45470","NSC645326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645326",NA,"COC1=CC2=C(C=C1)NC3=C2C(CC4C3C(=O)N(C4=O)C5=CC=CC=C5)C6=CC=CC=C6","LNZROKSDUKWNAW-PTLVVNQVSA-N",6711864,NA,"PDBC45470","645326","Present",NA,NA
+"45471","NSC645332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645332",NA,"C1CCC2(C1)C=CC3C2CC(=O)N3O","DYLMJNDPXVGSEE-RKDXNWHRSA-N",371273,NA,"PDBC45471","645332","Present",NA,NA
+"45472","NSC645333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645333",NA,"C1CCC2(C1)CCC3C2CC(=O)N3","VAANWNTXWFGRRO-RKDXNWHRSA-N",371274,NA,"PDBC45472","645333","Present",NA,NA
+"45473","NSC645334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645334",NA,"C1CC2(CC2)C3C1NC(=O)C3","UWUUUVYYOGWZAC-RNFRBKRXSA-N",371275,NA,"PDBC45473","645334","Present",NA,NA
+"45474","NSC645335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645335",NA,"C1CC12C=CC3C2CC(=O)N3O","VJRHPGBNZIBWPQ-RNFRBKRXSA-N",371276,NA,"PDBC45474","645335","Present",NA,NA
+"45475","NSC645336",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645336",NA,"C1CC2C(C1)NC(=O)C2C3=CC=C(C=C3)C(=O)O","VEFQPHDAWAJLHX-WIKAKEFZSA-N",371277,NA,"PDBC45475","645336","Present",NA,NA
+"45476","NSC645343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645343",NA,"CC1(C2(C3C(C(=O)N(C3=O)C4=CC=CC=C4)ON2C5=CC=CC=C5O1)C6=CC=CC=C6)C","JEWILVCSPHLTRP-SGNGHUOJSA-N",371279,NA,"PDBC45476","645343","Present",NA,NA
+"45477","NSC645364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645364",NA,"CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCNC(=O)C3=CC(=NN3C)C(=O)NCCNC4=CC=NC5=C(C=CC(=C45)[N+](=O)[O-])C.Cl","PPLRHWDYNPSVIE-UHFFFAOYSA-N",371286,NA,"PDBC45477","645364","Present",NA,NA
+"45478","NSC645365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645365",NA,"CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCCNC(=O)CN3C=CN=C3[N+](=O)[O-].Cl","NAQBRAJBBBOIBF-UHFFFAOYSA-N",371288,NA,"PDBC45478","645365","Present",NA,NA
+"45479","NSC645456",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645456",NA,NA,NA,NA,NA,"PDBC45479","645456","Present",NA,NA
+"45480","NSC645457",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645457",NA,NA,NA,NA,NA,"PDBC45480","645457","Present",NA,NA
+"45481","NSC645458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645458",NA,NA,NA,NA,NA,"PDBC45481","645458","Present",NA,NA
+"45482","NSC645459",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645459",NA,NA,NA,NA,NA,"PDBC45482","645459","Present",NA,NA
+"45483","NSC645529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645529",NA,"CC(=CC(=O)NC1=CC2=NNN=C2C=C1)NC3=CC4=NNN=C4C=C3","KBBODZMZDZWOMY-RMKNXTFCSA-N",6400237,NA,"PDBC45483","645529","Present",NA,NA
+"45484","NSC645548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645548",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C(C)C)C(C)C","WAKNHAAZJSALOV-UHFFFAOYSA-N",3000901,NA,"PDBC45484","645548","Present",NA,NA
+"45485","NSC645586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645586",NA,"CC(=NOC(=O)NCCCCNC1=CC=C(C=C1)N=[N+]=[N-])SC","SBDWRKGQNVIDSW-YBFXNURJSA-N",5465325,NA,"PDBC45485","645586","Present",NA,NA
+"45486","NSC645592",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645592",NA,"CC(C(=O)N1CCS(=O)(=O)N2CCCC2C1=O)OCC3=CC=CC=C3","ZCYWSHFVUILJAE-ZFWWWQNUSA-N",6711871,NA,"PDBC45486","645592","Present",NA,NA
+"45487","NSC645593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645593",NA,"CC(C(=O)N1CCS(=O)(=O)N2CCCC2C1=O)OCC3=CC=CC=C3","ZCYWSHFVUILJAE-DZGCQCFKSA-N",6711872,NA,"PDBC45487","645593","Present",NA,NA
+"45488","NSC645595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645595",NA,"CC1C(=O)N2CCS(=O)(=O)N3CCCC3C2(O1)O","QOSWFGIZVQRPNU-VLCSVPMDSA-N",6711873,NA,"PDBC45488","645595","Present",NA,NA
+"45489","NSC645596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645596",NA,"C1CC2C(=O)NCCS(=O)(=O)N2C1","OUQFUZFIBGFNNU-LURJTMIESA-N",371377,NA,"PDBC45489","645596","Present",NA,NA
+"45490","NSC645598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645598",NA,"C1CC2C(=O)NCCS(=O)(=O)NC(C(=O)N2C1)CC3=CC=CCC3","DHKPLPGNTJLOOO-LSLKUGRBSA-N",6711874,NA,"PDBC45490","645598","Present",NA,NA
+"45491","NSC645599",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645599",NA,"CN(CCS(=O)(=O)N1C(C(=O)N2CCCC2C1=O)CC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","DIESXWLCOFVPSD-KEKNWZKVSA-N",6711875,NA,"PDBC45491","645599","Present",NA,NA
+"45492","NSC645600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645600",NA,"CC1C2CC(=CC=NN2C1=O)C","ZYPOEMSYIBJTHU-GVHYBUMESA-N",6711876,NA,"PDBC45492","645600","Present",NA,NA
+"45493","NSC645608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645608",NA,"C.C1CC(=CC2=CC=CC=C2)C3=C(C1)C(N4C(=N)CSC4=N3)C5=CC=CC=C5","UNXUYGHIJBOGKQ-UHMUBJTASA-N",5466908,NA,"PDBC45493","645608","Present",NA,NA
+"45494","NSC645611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645611",NA,"CN1CC(=CC2=CC=C(C=C2)OC)C3=NC(=NC(=C3C1)C4=CC=C(C=C4)OC)N","WAORJFJYVMGYFJ-SFQUDFHCSA-N",5466910,NA,"PDBC45494","645611","Present",NA,NA
+"45495","NSC645613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645613",NA,"C1CCCC2=NN(C(C2CC1)C3=CC=CC=C3)C(=S)N","LZUFXUCJBCSOMY-DZGCQCFKSA-N",5466912,NA,"PDBC45495","645613","Present",NA,NA
+"45496","NSC645614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645614",NA,"C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CC=C4)C(=O)N","KAWVQCBEAFKMSA-MYJWUSKBSA-N",371396,NA,"PDBC45496","645614","Present",NA,NA
+"45497","NSC645615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645615",NA,"C1CC2=CC=CC=C2C3=NN(C(C31)C4=CC=CC=C4)C(=S)N","XYIXNDFQNMYLLB-RDJZCZTQSA-N",6711877,NA,"PDBC45497","645615","Present",NA,NA
+"45498","NSC645664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645664",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)NC2=CC=CC=C2Cl)NC(=O)C=CC3=CC=CC=C3","UCXOEEHGCNTFOT-VOEWBWLYSA-N",20835247,NA,"PDBC45498","645664","Present",NA,NA
+"45499","NSC645665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645665",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(C(=O)NC2=CC=C(C=C2)Cl)NC(=O)C=CC3=CC=CC=C3","YLYVLZVDFJTHKK-FTMGPJKFSA-N",20835251,NA,"PDBC45499","645665","Present",NA,NA
+"45500","NSC645666",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645666",NA,"CC1=CC=CC=C1NC(=O)NC(=CC2=C(C=C(C=C2)N(CCC#N)CCC#N)C)NC(=O)C=CC3=CC=CC=C3","QHWJIWNSRFWMHL-HIRHKNAPSA-N",5924982,NA,"PDBC45500","645666","Present",NA,NA
+"45501","NSC645667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645667",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C(NC(=O)C=CC2=CC=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl","XMUIUYFREDNCMA-CHBBBDKJSA-N",5916788,NA,"PDBC45501","645667","Present",NA,NA
+"45502","NSC645668",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645668",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)Cl","ZQAPNHCQDCNCNE-YKLJQQLISA-N",54600732,NA,"PDBC45502","645668","Present",NA,NA
+"45503","NSC645669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645669",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)OC","ANYLEUHRQYHCBG-YDNLAWQDSA-N",54608105,NA,"PDBC45503","645669","Present",NA,NA
+"45504","NSC645670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645670",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)C4=CC=C(C=C4)C(=O)O","IKJYVGRMRXPKKI-YKLJQQLISA-N",54604817,NA,"PDBC45504","645670","Present",NA,NA
+"45505","NSC645671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645671",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)NC(=O)CC(=O)NC4=CC=CC=C4Cl","OYHYCFMEOHGKAO-FGCLTXMVSA-N",54608543,NA,"PDBC45505","645671","Present",NA,NA
+"45506","NSC645672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645672",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C=CC3=CC=CC=C3)NC(=O)CC(=O)NC4=CC=C(C=C4)OC","RZGXRQVOAHWPDM-YSPMFMDMSA-N",54608882,NA,"PDBC45506","645672","Present",NA,NA
+"45507","NSC645679",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645679",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)N(C(=N2)C3=C(C=CC(=C3)[N+](=O)[O-])Cl)NC(=O)C4=CC=C(C=C4)N=CC5=C(C=C(C=C5)N(CCC#N)S(=O)(=O)C)C","KQAJCNGYNOBAEW-OZNPBYHMSA-N",6517209,NA,"PDBC45507","645679","Present",NA,NA
+"45508","NSC645680",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645680",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=NC2=CC=C(C=C2)C(=O)NN3C(=NC(=CC4=CC=C(C=C4)N(CCC#N)CCC#N)C3=O)C5=C(C=CC(=C5)[N+](=O)[O-])Cl","HJKNVQLTUYRFRO-FXBCGMJISA-N",5774088,NA,"PDBC45508","645680","Present",NA,NA
+"45509","NSC645744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645744",NA,"CC1=C(C2=C(N=C(N(C2=O)C)SC)N(C1=O)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O","HYDFXZKWNJBCRQ-UHFFFAOYSA-N",54688598,NA,"PDBC45509","645744","Present",NA,NA
+"45510","NSC645745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645745",NA,"CC1=C(C2=C(N=C(N(C2=O)C)SC)N(C1=O)C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)O","JJZKTUIJKAGXHH-UHFFFAOYSA-N",54688599,NA,"PDBC45510","645745","Present",NA,NA
+"45511","NSC645749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645749",NA,"COC1=NC(=O)C=C(N1C2C(C(C(O2)CO)O)O)N","KVEUMDZWQCDKJU-UHFFFAOYSA-N",371475,NA,"PDBC45511","645749","Present",NA,NA
+"45512","NSC645786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645786",NA,"C1=CC=C2C(=C1)C(=NCC3=CC=C(C=C3)Cl)NNS2(=O)=O","CVOBPHROGWOMCX-UHFFFAOYSA-N",135408922,NA,"PDBC45512","645786","Present",NA,NA
+"45513","NSC645788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645788",NA,"C1=CC=C2C(=C1)C(=NCC3=CC(=C(C=C3)Cl)Cl)NNS2(=O)=O","BMKVFSSOTVSQBE-UHFFFAOYSA-N",135408924,NA,"PDBC45513","645788","Present",NA,NA
+"45514","NSC645793",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645793",NA,"CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CC8=C(C=C(C=C8C=C7)S(=O)(=O)O)S(=O)(=O)O)C)C.[K+]","GJLQHYJBNOYDBQ-UHFFFAOYSA-N",54608111,NA,"PDBC45514","645793","Present",NA,NA
+"45515","NSC645874",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645874",NA,"CCOC(=O)C(C1=NC2=CC=CC=C2N=C1)C(=NNC(=O)OC)C(=O)NC3=CC=C(C=C3)C(=O)C","BCAHOTGMCBRJOA-HFTWOUSFSA-N",9555872,NA,"PDBC45515","645874","Present",NA,NA
+"45516","NSC645882",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645882",NA,"CCOC(=O)C(C1=NC2=CC=CC=C2N=C1)C(=NNC(=O)OC)C(=O)NC3=C(C=CC(=C3)OC)OC","IJILKABADWPPPF-SGWCAAJKSA-N",5465330,NA,"PDBC45516","645882","Present",NA,NA
+"45517","NSC645887",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645887",NA,"CC1CC(=O)C(C1C(C(=O)C(=O)NC2=C(C=CC(=C2)Cl)Cl)[N+](=O)[O-])CC(=O)O","ZCSJDMLHTYMQPU-MXIJQUQJSA-N",371558,NA,"PDBC45517","645887","Present",NA,NA
+"45518","NSC645901",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645901",NA,"CSC(=NC1=C(C=C(C=C1)[N+](=O)[O-])C#N)NC(=O)C2=CC=CC=C2.I","CDNYDZMPEUWEDE-UHFFFAOYSA-N",135423150,NA,"PDBC45518","645901","Present",NA,NA
+"45519","NSC645986",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645986",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)CO)O","UQRINVXVCLEHJN-UHFFFAOYSA-N",371592,NA,"PDBC45519","645986","Present",NA,NA
+"45520","NSC645991",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645991",NA,"CC1(CC(C2C(C1C(=C)C=O)OC(=O)C2=C)O)C=C","ZTRSVJILTKDCGR-XHLKKRLISA-N",6711888,NA,"PDBC45520","645991","Present",NA,NA
+"45521","NSC645994",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645994",NA,"CC(C)C1=CC23CCC4C(C2CC1OO3)(CCCC4(C)C(=O)OC)C","NAAKMWGAXDJMGM-BVZWOAMPSA-N",6711890,NA,"PDBC45521","645994","Present",NA,NA
+"45522","NSC645995",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645995",NA,"CC(C)C12CCC3(C(=C1)CCC4C3(CCCC4(C)C(=O)OC)C)OO2","DGDPHTZXZIFFEV-QQFYDIPVSA-N",6711891,NA,"PDBC45522","645995","Present",NA,NA
+"45523","NSC645996",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645996",NA,"CC(C)C12CCC3(C(=C1)CCC4C3(CCCC4(C)C(=O)OC)C)OO2","DGDPHTZXZIFFEV-XZHCPJEPSA-N",6711892,NA,"PDBC45523","645996","Present",NA,NA
+"45524","NSC645997",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645997",NA,"CCC1(C(CC2C(C1C(=C)C=O)OC(=O)C2=C)O)C","FPQQHDBVYOLHPB-MAPPIREJSA-N",6711893,NA,"PDBC45524","645997","Present",NA,NA
+"45525","NSC645998",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645998",NA,"CC1=CCCC(=CC2C(CC1O)C(=C)C(=O)O2)C=O","XEUPTPWROFFVFO-NAKNACKTSA-N",50990206,NA,"PDBC45525","645998","Present",NA,NA
+"45526","NSC645999",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645999",NA,"CC12CCCC(C1CCC34C2CC(C(=C3)C(C)(C)O)OO4)(C)C(=O)OC","IOWHRFKVRZOMCP-SJHVTTCNSA-N",6711894,NA,"PDBC45526","645999","Present",NA,NA
+"45527","NSC646019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646019",NA,"CC1(CCCC2(C1CCC3C24CCC(C4)(C(C3)OC(=O)CC(=O)OC)C)C)C","AHZFYNZHSPWMAG-GHPIDHAASA-N",6711895,NA,"PDBC45527","646019","Present",NA,NA
+"45528","NSC646030",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646030",NA,"CCN(CC)CCCC(C)NC1=C2C(=NC=C1)C=CC3=NN(N=C32)C.OP(=O)(O)O","HDDYSXXGYRIMAS-UHFFFAOYSA-N",371626,NA,"PDBC45528","646030","Present",NA,NA
+"45529","NSC646031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646031",NA,"CC(C)NCCCC(C)NC1=C2C(=NC=C1)C=CC3=NN(N=C32)C.OP(=O)(O)O","LOCKFFIBDZXWQF-UHFFFAOYSA-N",371628,NA,"PDBC45529","646031","Present",NA,NA
+"45530","NSC646032",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646032",NA,"CCN(CC)CC1=C(C=CC(=C1)NC2=C3C(=NC=C2)C=CC4=NN(N=C43)C)O.Cl","FHCSRLZWLZJEAZ-UHFFFAOYSA-N",371630,NA,"PDBC45530","646032","Present",NA,NA
+"45531","NSC646084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646084",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(OCC(F)(F)F)OCC(F)(F)F)CO)O","QUGIKFHGIQQZFD-UHFFFAOYSA-N",371634,NA,"PDBC45531","646084","Present",NA,NA
+"45532","NSC646085",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646085",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)COCC(F)(F)F)CO)O","ZDSMEJQUASEOOJ-UHFFFAOYSA-N",371635,NA,"PDBC45532","646085","Present",NA,NA
+"45533","NSC646112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646112",NA,NA,NA,NA,NA,"PDBC45533","646112","Present",NA,NA
+"45534","NSC646114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646114",NA,"C1C2C3CC4C2C5C1C3C4(C5N)C6=CC=CC=C6.Cl","ICYJIEMRLMJGLU-IMTDNEFGSA-N",371674,NA,"PDBC45534","646114","Present",NA,NA
+"45535","NSC646115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646115",NA,"CCCCNC1C2C3CC4C2C5C1(C3C4C5)C.Cl","OXWAXUNOUSSYKX-XYYROTSCSA-N",371676,NA,"PDBC45535","646115","Present",NA,NA
+"45536","NSC646116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646116",NA,"CCCC(=O)NC1C2C3CC4C2C5C1(C3C4C5)C","PBKXDKBOHVPXKQ-SWXZNSMISA-N",371678,NA,"PDBC45536","646116","Present",NA,NA
+"45537","NSC646117",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646117",NA,"CC12C3CC4C1C5CC4C3C5C2NCC6=CC=CC=C6.Cl","DTPLSUHYSPJGHR-SEZMIEIZSA-N",371679,NA,"PDBC45537","646117","Present",NA,NA
+"45538","NSC646119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646119",NA,"C1CC2C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3","QZBUWPVZSXDWSB-UHFFFAOYSA-N",99895,NA,"PDBC45538","646119","Present",NA,NA
+"45539","NSC646138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646138",NA,NA,NA,NA,NA,"PDBC45539","646138","Present",NA,NA
+"45540","NSC646139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646139",NA,NA,NA,NA,NA,"PDBC45540","646139","Present",NA,NA
+"45541","NSC646140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646140",NA,NA,NA,NA,NA,"PDBC45541","646140","Present",NA,NA
+"45542","NSC646141",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646141",NA,NA,NA,NA,NA,"PDBC45542","646141","Present",NA,NA
+"45543","NSC646142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646142",NA,NA,NA,NA,NA,"PDBC45543","646142","Present",NA,NA
+"45544","NSC646143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646143",NA,"CC(C)(C)C1=NOC2C1CCC2NC(=O)C3=CC=CC=C3","BWYCDNGJLWGFMK-HZSPNIEDSA-N",371693,NA,"PDBC45544","646143","Present",NA,NA
+"45545","NSC646157",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646157",NA,"CC1(CCCC2(C1CCC34C2CCC(C3)(C4CO)C)C)C","NKSQOTCNKPLOFT-LFHGNTFNSA-N",6711912,NA,"PDBC45545","646157","Present",NA,NA
+"45546","NSC646181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646181",NA,"CC(=CCCC(=CCCC(=CC(C1=CC=CC=C1)O)C)C)C","ZNAHOZYZXOHJLX-WBLKYFKXSA-N",5466978,NA,"PDBC45546","646181","Present",NA,NA
+"45547","NSC646183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646183",NA,"CC1(C(CCC1=O)C=O)C(=O)OC","XIOJLPUXXPQRTM-HZGVNTEJSA-N",6711913,NA,"PDBC45547","646183","Present",NA,NA
+"45548","NSC646186",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646186",NA,"CC1CCCC(=NNS(=O)(=O)C2=CC=C(C=C2)C)C1(C)C(=O)OC","LWLNBYRIVLIODI-CBEXDCQMSA-N",54611642,NA,"PDBC45548","646186","Present",NA,NA
+"45549","NSC646215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646215",NA,"CC(C1=CC=CC=C1)NC(=O)OC2C3CCC2C(C=C3)O","NYTSBEZBDJWGFP-DSGUZJNWSA-N",5466981,NA,"PDBC45549","646215","Present",NA,NA
+"45550","NSC646216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646216",NA,"CCOC(=O)CC(C)C1(CCCC1=O)C(=O)OC","LZNJQOARYCXUGU-NOZJJQNGSA-N",371772,NA,"PDBC45550","646216","Present",NA,NA
+"45551","NSC646225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646225",NA,"CC(C=C)C1(CCCC12OCCO2)C(=O)OC","GFZKFNFGPLZZFR-PWSUYJOCSA-N",371781,NA,"PDBC45551","646225","Present",NA,NA
+"45552","NSC646230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646230",NA,"COC1=CC=C(C=C1)C=[N+](C(COCC2=CC=CC=C2)C3=CC=CC=C3)[O-]","RTIMMUBXTYXCMG-KDYMBEQYSA-N",5466984,NA,"PDBC45552","646230","Present",NA,NA
+"45553","NSC646233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646233",NA,"C1=CC=C(C=C1)COCC(C2=CC=CC=C2)[N+](=CC3=CC=CC=C3)[O-]","RCVJLZCROUDKMD-LEYFIJQKSA-N",5466985,NA,"PDBC45553","646233","Present",NA,NA
+"45554","NSC646234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646234",NA,"CC1(OCC(O1)C(C2C(OC(O2)(C)C)C=NO)O)C","GCYSHDWLKNPSBV-ACAGNQJTSA-N",5369303,NA,"PDBC45554","646234","Present",NA,NA
+"45555","NSC646251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646251",NA,"CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC3=CC4=C(C=C3)C5=NC6=NC(=NC7=C8C=C(C=CC8=C(N7)N=C9C1=C(C=CC(=C1)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)C(=N9)N=C4N5)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1)C1=C6C=CC(=C1)OC1=CC=C(C=C1)C(C)(C)C1=CC=CC=C1","ROYGEXATUOCFQR-UHFFFAOYSA-N",16134272,NA,"PDBC45555","646251","Present",NA,NA
+"45556","NSC646273",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646273",NA,"C1C=CC(C2C1C=CC=CC2=O)O","HXVXIYMUKZSRIV-LDGBHUKOSA-N",371808,NA,"PDBC45556","646273","Present",NA,NA
+"45557","NSC646286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646286",NA,NA,NA,NA,NA,"PDBC45557","646286","Present",NA,NA
+"45558","NSC646292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646292",NA,NA,NA,NA,NA,"PDBC45558","646292","Present",NA,NA
+"45559","NSC646295",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646295",NA,NA,NA,NA,NA,"PDBC45559","646295","Present",NA,NA
+"45560","NSC646369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646369",NA,"C1=CC(=CC=C1C2=CSC(=N2)C(C#N)C(=NNC(=O)C3=CC=NC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])Br","WKLIHDFQVOWFGO-DFKUXCBWSA-N",5847159,NA,"PDBC45560","646369","Present",NA,NA
+"45561","NSC646370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646370",NA,"C1=CN=CC=C1C(=O)NN=C(C2C(=O)NC(=O)NC2=O)C3=NS(=O)(=O)C4=CC(=C(C=C4N3)Cl)S(=O)(=O)N","CGIFIFRHVCDHOB-DHRITJCHSA-N",5479611,NA,"PDBC45561","646370","Present",NA,NA
+"45562","NSC646386",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646386",NA,"C[N+](C)(C)CC(=O)NN=C(C1C(=NN(C1=O)C2=CC=CC=C2)N)C(=O)NC3=CC=C(C=C3)Cl.[Cl-]","WDBYOTUIBKNBOG-UHFFFAOYSA-N",54604818,NA,"PDBC45562","646386","Present",NA,NA
+"45563","NSC646387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646387",NA,"CC1=CC(=C(C=C1)C)NC(=O)C(=NNC(=O)C[N+]2=CC=CC=C2)CC3=CC(=O)C4=C(O3)C(=C5C(=C4OC)OCO5)OC.[Cl-]","QTSKXLDVUZGITR-UHFFFAOYSA-N",54602089,NA,"PDBC45563","646387","Present",NA,NA
+"45564","NSC646441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646441",NA,"CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-])N=[N+]=[N-])Br","IMNYUQITPPIELN-UHFFFAOYSA-N",371877,NA,"PDBC45564","646441","Present",NA,NA
+"45565","NSC646443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646443",NA,"CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)N=[N+]=[N-])N=[N+]=[N-])Cl","WXLBTVDTGAHQTI-UHFFFAOYSA-N",371878,NA,"PDBC45565","646443","Present",NA,NA
+"45566","NSC646466",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646466",NA,NA,NA,NA,NA,"PDBC45566","646466","Present",NA,NA
+"45567","NSC646467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646467",NA,"CC(=O)NC1C(CN2C1C(OC(=O)C2=O)C(CO)O)O","UTLKHNPVNBVXIO-CDBVJKSLSA-N",371884,NA,"PDBC45567","646467","Present",NA,NA
+"45568","NSC646498",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646498",NA,"C1C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3O1","NBQPUTOGVZAGGJ-XYOKQWHBSA-N",2396158,NA,"PDBC45568","646498","Present",NA,NA
+"45569","NSC646499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646499",NA,"C1C(=CC2=CC=CC=C2Cl)C(=O)C3=CC=CC=C3O1","HYXCHJLRQNCZCW-FMIVXFBMSA-N",1550198,NA,"PDBC45569","646499","Present",NA,NA
+"45570","NSC646500",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646500",NA,"C1C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=C(O1)C=CC(=C3)Br","FQOPOLRDBWVWAB-IZZDOVSWSA-N",5466990,NA,"PDBC45570","646500","Present",NA,NA
+"45571","NSC646501",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646501",NA,"C1C(=CC2=CC=C(C=C2)Cl)C(=O)C3=C(O1)C=CC(=C3)Br","NXWBHUVELVLDDT-YRNVUSSQSA-N",5466991,NA,"PDBC45571","646501","Present",NA,NA
+"45572","NSC646502",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646502",NA,"C1C(=CC2=CC=CC=C2Cl)C(=O)C3=C(O1)C=CC(=C3)Br","ZLINSEGMPZIPTQ-YRNVUSSQSA-N",5466992,NA,"PDBC45572","646502","Present",NA,NA
+"45573","NSC646576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646576",NA,"CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)O)N=[N+]=[N-])Br","QRPDFPMWHYGCCS-UHFFFAOYSA-N",371925,NA,"PDBC45573","646576","Present",NA,NA
+"45574","NSC646603",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646603",NA,NA,NA,NA,NA,"PDBC45574","646603","Present",NA,NA
+"45575","NSC646604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646604",NA,NA,NA,NA,NA,"PDBC45575","646604","Present",NA,NA
+"45576","NSC646605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646605",NA,NA,NA,NA,NA,"PDBC45576","646605","Present",NA,NA
+"45577","NSC646606",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646606",NA,NA,NA,NA,NA,"PDBC45577","646606","Present",NA,NA
+"45578","NSC646607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646607",NA,NA,NA,NA,NA,"PDBC45578","646607","Present",NA,NA
+"45579","NSC646608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646608",NA,NA,NA,NA,NA,"PDBC45579","646608","Present",NA,NA
+"45580","NSC646609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646609",NA,NA,NA,NA,NA,"PDBC45580","646609","Present",NA,NA
+"45581","NSC646610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646610",NA,NA,NA,NA,NA,"PDBC45581","646610","Present",NA,NA
+"45582","NSC646611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646611",NA,NA,NA,NA,NA,"PDBC45582","646611","Present",NA,NA
+"45583","NSC646701",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646701",NA,NA,NA,NA,NA,"PDBC45583","646701","Present",NA,NA
+"45584","NSC646787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646787",NA,"CC1=CC=C(C=C1)NC(=O)C(=NNC(=O)C[N+](C)(C)C)C2=NC3=CC=CC=C3NC2=O.[Cl-]","SMSCXRXOQDLAKR-UHFFFAOYSA-N",135499241,NA,"PDBC45584","646787","Present",NA,NA
+"45585","NSC646798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646798",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(C(=O)N3)CC(=NNC(=O)N)C(=O)NC4=CC=C(C=C4)Br","MLJKJCLHRKFIQH-NJZRLIGZSA-N",5465345,NA,"PDBC45585","646798","Present",NA,NA
+"45586","NSC646826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646826",NA,"C1=CC=C2C(=C1)C(OC2=O)CC(=NN)C3=CC=CO3","LIOOSEALZVCYQJ-LFIBNONCSA-N",5465355,NA,"PDBC45586","646826","Present",NA,NA
+"45587","NSC646827",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646827",NA,"C1=CC=C2C(=C1)C(OC2=O)CC(=NNC(=O)N)C3=CC=CO3","GQDWRGMCFBRNHV-GZTJUZNOSA-N",5465356,NA,"PDBC45587","646827","Present",NA,NA
+"45588","NSC646831",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646831",NA,"C1=CC=C2C(=C1)C(OC2=O)CC(=NNC(=O)N)C3=CC=C(C=C3)[N+](=O)[O-]","DAEVJUKONCBJKM-XMHGGMMESA-N",5465358,NA,"PDBC45588","646831","Present",NA,NA
+"45589","NSC646832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646832",NA,"CC(C1C2=CC=CC=C2OC1=O)C(=NNC3=CC=CC=C3)C4=CC=C(C=C4)O","QFIOQZMUCYTKEW-YYDJUVGSSA-N",135499246,NA,"PDBC45589","646832","Present",NA,NA
+"45590","NSC646834",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646834",NA,"C1=CC=C(C=C1)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CO4)O","HTIXPTBDACLMKL-ULJHMMPZSA-N",135499248,NA,"PDBC45590","646834","Present",NA,NA
+"45591","NSC646835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646835",NA,"C1=CC=C(C=C1)C=CC(=NC(=N)N)CC2C3=CC=CC=C3C(=O)O2","CWMNXFLZLZLNMY-LAUHTZEZSA-N",6477355,NA,"PDBC45591","646835","Present",NA,NA
+"45592","NSC646836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646836",NA,"COC1=CC=C(C=C1)C(C2C3=CC=CC=C3C(=O)O2)C(=NNC4=CC=CC=C4)C5=CC=C(C=C5)OC","GHICATZYFRPCNE-BLCKFSMSSA-N",5465362,NA,"PDBC45592","646836","Present",NA,NA
+"45593","NSC646844",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646844",NA,"COC1=C(C(=C2C3CCCCCC3CCC(=O)C2=C1)OC)OC","CQNXHMBYHAPIAD-CHWSQXEVSA-N",372028,NA,"PDBC45593","646844","Present",NA,NA
+"45594","NSC646853",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646853",NA,"CC1=C(C=CC2=C1OC3=C(C=CC=C3C2=O)CC(=O)O)N(C)C.[Na+]","SXHPFTGNCMCYJO-UHFFFAOYSA-N",54608862,NA,"PDBC45594","646853","Present",NA,NA
+"45595","NSC646857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646857",NA,"CC1=NC=C(N1CCNCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-].Cl","YLYTUCHRFQQJCF-UHFFFAOYSA-N",372038,NA,"PDBC45595","646857","Present",NA,NA
+"45596","NSC646858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646858",NA,"C1=CC2=NC=CC(=C2C(=C1)[N+](=O)[O-])NCC(CO)O.Cl","FVKPERHIXYAFTM-UHFFFAOYSA-N",372040,NA,"PDBC45596","646858","Present",NA,NA
+"45597","NSC646859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646859",NA,"C1COCCN1CCNC2=C3C(=NC=C2)C=CC=C3[N+](=O)[O-].Cl","HJTYTAKBQVCYDJ-UHFFFAOYSA-N",372042,NA,"PDBC45597","646859","Present",NA,NA
+"45598","NSC646860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646860",NA,"CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=C(C(=N2)C)C)NCCCN(C)C.Cl","SRGDCAOPLJBGHI-UHFFFAOYSA-N",372044,NA,"PDBC45598","646860","Present",NA,NA
+"45599","NSC646861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646861",NA,"CC1=C(N=C2C=CC=C(C2=C1NCCCN(C)C)[N+](=O)[O-])C.Cl","DRLNSTXGLKQPFM-UHFFFAOYSA-N",372046,NA,"PDBC45599","646861","Present",NA,NA
+"45600","NSC64692",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC64692",NA,"CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)[N+](=O)[O-])(C(=O)OCC)NC(=O)C","IINRGTWFETXCNC-UHFFFAOYSA-N",248131,NA,"PDBC45600","64692","Present",NA,NA
+"45601","NSC646929",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646929",NA,"C1CSC(SC1)C2C(CCC2=C3SCCCS3)OC(=O)C4=CC=CC=C4","IKAVUAHDVXBPDC-ZYMOGRSISA-N",372063,NA,"PDBC45601","646929","Present",NA,NA
+"45602","NSC646932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646932",NA,"CCOC(=O)C12C3C(C1(OC(=O)C=C2C)C)C(=O)NC3=O","HJIXHSQKUYZNRT-YJBSTTGXSA-N",372066,NA,"PDBC45602","646932","Present",NA,NA
+"45603","NSC646933",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646933",NA,"CCOC(=O)C12C(CC1(OC(=O)C=C2C)C)C#N","BJORTTXSSGJWKL-BIMULSAOSA-N",372067,NA,"PDBC45603","646933","Present",NA,NA
+"45604","NSC646961",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646961",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C2=CC3=CC=CC=C3N2C","HQWMFBYFDMCEDT-XMHGGMMESA-N",5465367,NA,"PDBC45604","646961","Present",NA,NA
+"45605","NSC646973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646973",NA,"CCC12CC(=C3C4(C1N(CC4)CC=C2)C5=CC=CC=C5N3)C(=O)OC","FNGGIPWAZSFKCN-QNGMFEMESA-N",372098,NA,"PDBC45605","646973","Present",NA,NA
+"45606","NSC647069",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647069",NA,"CC1C=CC(CCC1(C)O)SC2=CC=CC=C2","VQXHVWVYZZSMHI-JQXSQYPDSA-N",6711930,NA,"PDBC45606","647069","Present",NA,NA
+"45607","NSC647092",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647092",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(=NNC3=CC(=CC=C3)Cl)C(=O)NC4=CC=CC=C4[N+](=O)[O-])O","AJXXZZXPNBEBDZ-NHFJDJAPSA-N",135499254,NA,"PDBC45607","647092","Present",NA,NA
+"45608","NSC647093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647093",NA,"CC1=C(C(=CC=C1)C(C)C)NC(=O)C(=NNC(=O)CC#N)CC2=C(C=CC=C2[N+](=O)[O-])[N+](=O)[O-]","GDWHXJGDZLZPMH-KOEQRZSOSA-N",5465372,NA,"PDBC45608","647093","Present",NA,NA
+"45609","NSC647099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647099",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=NNC(=O)C[N+](C)(C)C)CC2=NC3=C(C=C(C=C3)Cl)NC2=O.[Cl-]","RYMLRLKVQWGBMU-UHFFFAOYSA-N",5479959,NA,"PDBC45609","647099","Present",NA,NA
+"45610","NSC647101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647101",NA,"C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=C(C=C2)Cl)NC1=O)C3=NS(=O)(=O)C4=CC(=C(C=C4N3)Cl)S(=O)(=O)N.[Cl-]","RZYBRYBMTYPJLP-UHFFFAOYSA-N",54608789,NA,"PDBC45610","647101","Present",NA,NA
+"45611","NSC647104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647104",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=O)C(C2=NC3=CC=CC=C3N=C2C)C(=NNC4=CC(=CC=C4)Cl)C(=O)OC","QILPTRWMVFYPIM-KVQDIILNSA-N",5465375,NA,"PDBC45611","647104","Present",NA,NA
+"45612","NSC647110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647110",NA,"C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC1=O)C(=O)NC5=CC(=C(C=C5)Cl)Cl.[Cl-]","HZPBYGNMPXPQLV-UHFFFAOYSA-N",5479963,NA,"PDBC45612","647110","Present",NA,NA
+"45613","NSC647112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647112",NA,"C[N+](C)(C)CC(=O)NN=C(CC1=CC(=O)OC2=C1C=CC(=C2)O)C(=O)NC3=CC=C(C=C3)Cl.[Cl-]","DRXKBGBTHADSMY-UHFFFAOYSA-N",5479965,NA,"PDBC45613","647112","Present",NA,NA
+"45614","NSC647114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647114",NA,"C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl.[Cl-]","FBPTVAXKUPDHIT-UHFFFAOYSA-N",5479967,NA,"PDBC45614","647114","Present",NA,NA
+"45615","NSC647116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647116",NA,"CN(C)N=C(C1=NC2=C(C=C(C=C2)Cl)NC1=O)C(C3=CC=C(C=C3)C(C(=NN(C)C)C4=NC5=C(C=C(C=C5)Cl)NC4=O)O)O","ODDGDVRRPZHEGY-PXDBBHOGSA-N",135499257,NA,"PDBC45615","647116","Present",NA,NA
+"45616","NSC647117",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647117",NA,"C1=CC=C(C=C1)NN=C(C2=CN=C3C=C(C=CC3=N2)[N+](=O)[O-])C(C4=CC=C(C=C4)C(C(=NNC5=CC=CC=C5)C6=NC7=C(C=C(C=C7)[N+](=O)[O-])NC6=O)O)O","OKJUCDRNHHHKOT-WDIHSTDGSA-N",135499258,NA,"PDBC45616","647117","Present",NA,NA
+"45617","NSC647119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647119",NA,"CC(=NNC(=O)C[N+](C)(C)C)C(CN(C)C)C(=O)NC1=CC=CC=C1.[Cl-]","FWOBSLJQSJNHKN-VSOKSMTPSA-N",5479969,NA,"PDBC45617","647119","Present",NA,NA
+"45618","NSC647124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647124",NA,"CC1=CC(=C(C=C1)NC(=O)C(CN(CC(C)C)CC(C)C)C(=NN(C[N+]2=CC=CC=C2)C=O)C)C.[Cl-]","JQMYFUJMKBLMPY-NNLGMZJTSA-N",6517292,NA,"PDBC45618","647124","Present",NA,NA
+"45619","NSC647127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647127",NA,"CC1=CC(=C(C=C1)NC(=O)C(CN(CC(C)C)CC(C)C)C(=NNC(=O)C[N+]2=CC=CC=C2)C)C.[Cl-]","SQRJTLCKYUSBQP-BXMGYBSLSA-N",5479971,NA,"PDBC45619","647127","Present",NA,NA
+"45620","NSC647129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647129",NA,"C[N+](C)(C)CC(=O)NC(=O)NN=CC(CC#N)CN(CC1=CC=CC=C1)CC2=CC=CC=C2.[Cl-]","HEICJUIMJDLEAZ-FYAJYVDZSA-N",6474626,NA,"PDBC45620","647129","Present",NA,NA
+"45621","NSC647132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647132",NA,NA,NA,NA,NA,"PDBC45621","647132","Present",NA,NA
+"45622","NSC647134",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647134",NA,NA,NA,NA,NA,"PDBC45622","647134","Present",NA,NA
+"45623","NSC647250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647250",NA,"COC(=O)NNC=C(C=NC1=CC=CC=C1)[N+](=O)[O-]","AZOMELJASKADJT-KGLMZBLSSA-N",5923976,NA,"PDBC45623","647250","Present",NA,NA
+"45624","NSC647255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647255",NA,"C1=CC=C(C=C1)N=CC(=CNNC(=S)NN)[N+](=O)[O-]","LYVJQJQYNDTXPP-MRMUNOPPSA-N",54608124,NA,"PDBC45624","647255","Present",NA,NA
+"45625","NSC647258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647258",NA,"C1=CC=C(C=C1)N=CC(=CNNC(=S)N)[N+](=O)[O-]","JWHSAFZOBMJWOW-MRMUNOPPSA-N",54604764,NA,"PDBC45625","647258","Present",NA,NA
+"45626","NSC647264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647264",NA,"CC(=NNC(=S)N)C(CN1CCOCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4.Cl","AWQPIMDYWDITPH-OWQUTOFXSA-N",9571708,NA,"PDBC45626","647264","Present",NA,NA
+"45627","NSC647265",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647265",NA,"CC(=NN=C(N)N)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","UBKGSQRXKUKPAL-WDCVSKPTSA-N",54692436,NA,"PDBC45627","647265","Present",NA,NA
+"45628","NSC647267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647267",NA,"CC(=NN)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","BWYLGNXBYDLQHN-SXMBIPSUSA-N",54712270,NA,"PDBC45628","647267","Present",NA,NA
+"45629","NSC647268",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647268",NA,"CC(=O)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","UQBNWYHMJKFBOY-UHFFFAOYSA-N",54695453,NA,"PDBC45629","647268","Present",NA,NA
+"45630","NSC647271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647271",NA,"CC(=NN=C(N)N)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","KVBPRLJUEKZWNE-HRRMWDOSSA-N",54692440,NA,"PDBC45630","647271","Present",NA,NA
+"45631","NSC647272",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647272",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C(CN2CCOCC2)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","MUOCHQDRHGZWCU-BMFJENFKSA-N",54712272,NA,"PDBC45631","647272","Present",NA,NA
+"45632","NSC647273",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647273",NA,"C1CCN(C1)CCC(=NN)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","RRQWZKBPLHKQFP-DEGQLRSHSA-N",54712274,NA,"PDBC45632","647273","Present",NA,NA
+"45633","NSC647274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647274",NA,"CC(=NO)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","HZHZAERMGHIHBB-MHVDTSALSA-N",54712276,NA,"PDBC45633","647274","Present",NA,NA
+"45634","NSC647275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647275",NA,"CC(=O)C(CN(CC=C)CC=C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","LODIBXGDEFYQHY-UHFFFAOYSA-N",54695455,NA,"PDBC45634","647275","Present",NA,NA
+"45635","NSC647276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647276",NA,"C1=CC=C(C=C1)CC(=O)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=C(C=C4)C(C(=NNC(=O)CC5=CC=CC=C5)C6=NC7=C(C=C(C=C7)[N+](=O)[O-])NC6=O)O)O","USXGBQANPKPCPR-OAOLHABNSA-N",135499261,NA,"PDBC45635","647276","Present",NA,NA
+"45636","NSC647313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647313",NA,"CCCCN1C(=CSC1=NNC(=O)CN2C(=NC3=CC=CC=C32)C)C4=CC=CC=C4","XSKJBIRMCMRJLJ-RWEWTDSWSA-N",5465388,NA,"PDBC45636","647313","Present",NA,NA
+"45637","NSC647330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647330",NA,"CC1(OCCO1)C2=C[N+](=CC=C2)CC3=CC=CC=C3.[Br-]","GUDPKIJRSHYOBE-UHFFFAOYSA-M",24202411,NA,"PDBC45637","647330","Present",NA,NA
+"45638","NSC647331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647331",NA,"CC(C1=CC(=C[N+](=C1)CC2=CC=CC=C2)OC)O.[Cl-]","MKLRPWCOSZSZKD-UHFFFAOYSA-M",24202412,NA,"PDBC45638","647331","Present",NA,NA
+"45639","NSC647371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647371",NA,"COC(=O)C1(CCCC(=NO)C1)CC=C","YLWNKHDFCZWLNK-FMIVXFBMSA-N",5465389,NA,"PDBC45639","647371","Present",NA,NA
+"45640","NSC647379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647379",NA,"CC12CCCC(C1CCC3=C2CCC4(C3)SCCS4)(C)C(=O)OC","NJJRJTCHDTYRKU-NKELODKYSA-N",6711935,NA,"PDBC45640","647379","Present",NA,NA
+"45641","NSC647383",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647383",NA,"CCOC(=O)C1C2=C(CCN1)C3=CC=CC=C3N2.Cl","VZYMSIAMRRXCDL-UHFFFAOYSA-N",372324,NA,"PDBC45641","647383","Present",NA,NA
+"45642","NSC647396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647396",NA,"COC12C(C(C1C(=O)O)C(=O)O)C3=CC=CC=C3C4=CC=CC=C24","ASGRTYKWASRDOG-HITAIPBASA-N",6711936,NA,"PDBC45642","647396","Present",NA,NA
+"45643","NSC647402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647402",NA,"COC12C(C3C1C(=O)OC3=O)C4=CC=CC=C4C5=CC=CC=C25","JVUYITYOPQCFKX-HITAIPBASA-N",372343,NA,"PDBC45643","647402","Present",NA,NA
+"45644","NSC647405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647405",NA,"CCC12CCCN(C1C3=C(C(C2)C(=O)OC)NC4=CC=CC=C43)CC5=CC=CC=C5.Cl","DYLWPLONJWZXFK-UHFFFAOYSA-N",372346,NA,"PDBC45644","647405","Present",NA,NA
+"45645","NSC647407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647407",NA,"CC(C)CN(CC(C)C)CC(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)C.Cl","CDYGZSLCGZDKCC-UHFFFAOYSA-N",54695456,NA,"PDBC45645","647407","Present",NA,NA
+"45646","NSC647409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647409",NA,"C1CCN(C1)CCC(=NO)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","KWERZQZECMSZSE-LHSXHHQOSA-N",54712278,NA,"PDBC45646","647409","Present",NA,NA
+"45647","NSC647410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647410",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(CCN2CCCC2)CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","HSTOYJLXRSAKBW-TWJGMXQDSA-N",54712279,NA,"PDBC45647","647410","Present",NA,NA
+"45648","NSC647411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647411",NA,"CC(=NNC1=CC=CC=C1)C(CN(C)C)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","PNGYQYIDTNZCFL-ZHHZSZKJSA-N",54712280,NA,"PDBC45648","647411","Present",NA,NA
+"45649","NSC647412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647412",NA,"CC(=NO)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","VTPQAWLTNQEETL-VOGLITBBSA-N",54712282,NA,"PDBC45649","647412","Present",NA,NA
+"45650","NSC647413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647413",NA,"CN(C)N=C(CCN1CCCC1)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","HXJCKYWTBCHUNS-PQAWYCKWSA-N",54712284,NA,"PDBC45650","647413","Present",NA,NA
+"45651","NSC647414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647414",NA,"C1CCN(C1)CCC(=NN=C(N)N)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","UIPQWKSPCBNJCW-OCEUWNEJSA-N",54712286,NA,"PDBC45651","647414","Present",NA,NA
+"45652","NSC647415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647415",NA,"CC(=NNC(=O)OC)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","XMLAQKZAEUKUQS-BUWMAIPZSA-N",54692452,NA,"PDBC45652","647415","Present",NA,NA
+"45653","NSC647416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647416",NA,"CC(=O)C(CN(C)CC1=CC=CC=C1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","QPMYIMZRLTYYOF-UHFFFAOYSA-N",54695458,NA,"PDBC45653","647416","Present",NA,NA
+"45654","NSC647417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647417",NA,"CC(=O)C(CN(CC1=CC=CC=C1)CC2=CC=CC=C2)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","AUTVJFUHUHLOEA-UHFFFAOYSA-N",54695460,NA,"PDBC45654","647417","Present",NA,NA
+"45655","NSC647419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647419",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C(C)C(CN2CCCCC2)C(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","SDUXWRBOPIBRSA-QVXZZZNXSA-N",54712287,NA,"PDBC45655","647419","Present",NA,NA
+"45656","NSC647420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647420",NA,"C1CCN(C1)CCC(=NNC(=S)N)CC(C2=CC=CC=C2)C3=C(C4=CCCCC4OC3=O)O.Cl","DPTWZRDIDBGGAU-WOWWZAAFSA-N",54712288,NA,"PDBC45656","647420","Present",NA,NA
+"45657","NSC647421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647421",NA,"CC(=NN=C(N)N)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","IKLBGDUYWZIBHP-BCUBJXSGSA-N",54692454,NA,"PDBC45657","647421","Present",NA,NA
+"45658","NSC647422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647422",NA,"CCCCN(CC)CC(C1=C(C2=CC=CC=C2OC1=O)O)C(=O)C.Cl","JQLZAGFZTLUCES-UHFFFAOYSA-N",54695461,NA,"PDBC45658","647422","Present",NA,NA
+"45659","NSC647423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647423",NA,"CCN(CC)CC(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)C.Cl","YKATXZSSSVOKCY-UHFFFAOYSA-N",54695462,NA,"PDBC45659","647423","Present",NA,NA
+"45660","NSC647424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647424",NA,"C1CCN(C1)CCC(=NNC(=O)C2=CC=NC=C2)CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","UVJWCACNVPPXLA-PDLFCWRNSA-N",54712289,NA,"PDBC45660","647424","Present",NA,NA
+"45661","NSC647425",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647425",NA,"CC(=NNC(=O)N)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","GGWHHTNXAUBLKZ-HYEBSWNJSA-N",54712291,NA,"PDBC45661","647425","Present",NA,NA
+"45662","NSC647426",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647426",NA,"C1CCN(C1)CCC(=NNC2=CC=CC=C2)CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","ZMPCOVIXZRQOJI-SNTKTRKPSA-N",54712292,NA,"PDBC45662","647426","Present",NA,NA
+"45663","NSC647427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647427",NA,"CNN=C(CCN1CCCC1)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","RXUNKVSSMXQFNA-MORRFHCESA-N",54712293,NA,"PDBC45663","647427","Present",NA,NA
+"45664","NSC647429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647429",NA,"CC1CCN(CC1)CCC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","BKBZBJASTZFDAP-UHFFFAOYSA-N",54695463,NA,"PDBC45664","647429","Present",NA,NA
+"45665","NSC647430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647430",NA,"CCCCN(C)CC(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)C.Cl","OSBFYFVECZAILV-UHFFFAOYSA-N",54695464,NA,"PDBC45665","647430","Present",NA,NA
+"45666","NSC647431",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647431",NA,"CC(C)N(CC(C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)C(=O)C)C(C)C.Cl","HGILKQNOCGHPKO-UHFFFAOYSA-N",54695466,NA,"PDBC45666","647431","Present",NA,NA
+"45667","NSC647432",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647432",NA,"CC(=NN(C)C)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","FPGJGCSDRYMAGL-SOQZJLQASA-N",54712294,NA,"PDBC45667","647432","Present",NA,NA
+"45668","NSC647433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647433",NA,"CC(=NNC(=O)OC)C(CN1CCCCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4.Cl","KRTQULXZNWPJDH-SOQZJLQASA-N",9571741,NA,"PDBC45668","647433","Present",NA,NA
+"45669","NSC647434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647434",NA,"COC(=O)NN=C(CCN1CCCC1)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","PIHKBIXQMQHSPE-MORRFHCESA-N",54712296,NA,"PDBC45669","647434","Present",NA,NA
+"45670","NSC647435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647435",NA,"CC(=NNC(=S)N)C(CN(C)C)C(C1=C(C2=CC=CC=C2OC1)O)C3=CC=CC=C3.Cl","FBJKRRXSLVZYBA-WMJMVBMNSA-N",9571744,NA,"PDBC45670","647435","Present",NA,NA
+"45671","NSC647436",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647436",NA,"CCC1CCCCN1CC(C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O)C(=O)C.Cl","KFXISEWLJZOOAD-UHFFFAOYSA-N",54695468,NA,"PDBC45671","647436","Present",NA,NA
+"45672","NSC647465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647465",NA,"C1CNCCNCC(CNCCN1)(CCCCCCCCCCC(=O)O)N.Cl","BIRNMBBLSALTDR-UHFFFAOYSA-N",372415,NA,"PDBC45672","647465","Present",NA,NA
+"45673","NSC647466",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647466",NA,"CC(=C(C(=CC1=CC=C(C=C1)OC)C(=O)OC)C(=O)O)C","ZDLULXYLAQRTKK-UKTHLTGXSA-N",5467126,NA,"PDBC45673","647466","Present",NA,NA
+"45674","NSC647467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647467",NA,"COC1=CC=C(C=C1)C=C(C(=C2CCCCC2)C(=O)O)C(=O)OC","GJIQSELGZINIJH-FOWTUZBSSA-N",5467127,NA,"PDBC45674","647467","Present",NA,NA
+"45675","NSC647468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647468",NA,"COC1=CC=C(C=C1)C=C(C(=C2CCCC2)C(=O)O)C(=O)OC","WZTUSEPFDZRPIT-RVDMUPIBSA-N",5467128,NA,"PDBC45675","647468","Present",NA,NA
+"45676","NSC647469",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647469",NA,"CC(=C(C(=CC1=CC=C(C=C1)OC)C(=O)OC)C(=O)O)C2=CC=CC=C2","ZDZQBUYPFIHYOD-JIBZRZDWSA-N",5467129,NA,"PDBC45676","647469","Present",NA,NA
+"45677","NSC647562",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647562",NA,"CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC","VAYNONGSXQBKMT-YACUFSJGSA-N",91868438,NA,"PDBC45677","647562","Present",NA,NA
+"45678","NSC647574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647574",NA,"C1=CC=C(C=C1)NN=C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CC=C4Cl)O","WQJPEYCJKWZZBF-DIBXZPPDSA-N",135499262,NA,"PDBC45678","647574","Present",NA,NA
+"45679","NSC647577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647577",NA,"CC(=NN)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","YBLRAXZUUNTNHW-SAVLHYOGSA-N",54712297,NA,"PDBC45679","647577","Present",NA,NA
+"45680","NSC647578",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647578",NA,"CC(=NN)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","WZNUJBFNDGORML-ZKDABKAQSA-N",54712298,NA,"PDBC45680","647578","Present",NA,NA
+"45681","NSC647579",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647579",NA,"C1CCN(C1)CCC(=NNC(=O)CC#N)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","YDIBTBVHCUGGFG-PXNGTKLSSA-N",54692460,NA,"PDBC45681","647579","Present",NA,NA
+"45682","NSC647580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647580",NA,"CC(=NN(C)C)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","GRYVSVLWVKZGGS-SRTPWMEPSA-N",54712300,NA,"PDBC45682","647580","Present",NA,NA
+"45683","NSC647584",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647584",NA,"C1CCN(C1)CCC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","YQZRPJJHKYZKMY-UHFFFAOYSA-N",54695470,NA,"PDBC45683","647584","Present",NA,NA
+"45684","NSC647585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647585",NA,"C1=CC=C(C=C1)NN=C(C2=NC3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C(C4=CC=CO4)O","OJVZCQBOPJQJNB-ULJHMMPZSA-N",135499266,NA,"PDBC45684","647585","Present",NA,NA
+"45685","NSC647587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647587",NA,"CC(=NNC(=O)N)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","CLPGTISWVVRYLU-JTCQIRNMSA-N",54712302,NA,"PDBC45685","647587","Present",NA,NA
+"45686","NSC647588",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647588",NA,"CC(=NNC(=S)N)C(CN1CCCCC1)C(C2=C(C3=CC=CC=C3OC2)O)C4=CC=CC=C4.Cl","GZVJBDXIAHMNKL-JBQVUESZSA-N",9571754,NA,"PDBC45686","647588","Present",NA,NA
+"45687","NSC647593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647593",NA,"CC(=O)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","JDRBLKFLTYKIKW-UHFFFAOYSA-N",54695472,NA,"PDBC45687","647593","Present",NA,NA
+"45688","NSC647594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647594",NA,"C1=CC=C(C=C1)NN=C(C2=NC3=C(C=C(C=C3)Cl)NC2=O)C(C4=CC=CO4)O","WILMRFYKJJAKSX-UQQQWYQISA-N",135499271,NA,"PDBC45688","647594","Present",NA,NA
+"45689","NSC647595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647595",NA,"CC(=O)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","KSKSHWSWTWEGIL-UHFFFAOYSA-N",54695474,NA,"PDBC45689","647595","Present",NA,NA
+"45690","NSC647596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647596",NA,"CC(=NNC(=O)OC)C(CN1CCOCC1)C(C2=CC=CC=C2)C3=CC4=CC=CC=C4OC3=O.Cl","FRHUYJBXFCTVJN-ZEJCXCISSA-N",9571756,NA,"PDBC45690","647596","Present",NA,NA
+"45691","NSC647597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647597",NA,"CC(=NNC(=O)CC#N)C(CN1CCCCC1)C(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O.Cl","ADQINORBXWEFKD-QUIZVCAPSA-N",54692466,NA,"PDBC45691","647597","Present",NA,NA
+"45692","NSC647598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647598",NA,"C1CCN(C1)CCC(=NNC(=O)CC2=CC=CC=C2)CC(C3=CC=CC=C3)C4=C(C5=CC=CC=C5OC4=O)O.Cl","FQXQVKCUPVKQSI-VLMSGUPNSA-N",54692926,NA,"PDBC45692","647598","Present",NA,NA
+"45693","NSC647599",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647599",NA,"CC(=NNC(=O)N)C(CN(C)C)C(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O.Cl","DXYPZCZZINLMJS-WJKHLOCDSA-N",54712304,NA,"PDBC45693","647599","Present",NA,NA
+"45694","NSC647601",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647601",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=O)C2=CC=NC=C2)C=CC3=CC4=C(C=C3)OCO4","INOSELZNEZTTEU-GBFKYMAASA-N",135499273,NA,"PDBC45694","647601","Present",NA,NA
+"45695","NSC647602",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647602",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=S)N)C=CC2=CC(=C(C=C2)O)OC","DCMCAOFPWDHPEW-DIULEBGUSA-N",135499274,NA,"PDBC45695","647602","Present",NA,NA
+"45696","NSC647605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647605",NA,"C[N+](C)(C)CC(=O)NN=C(CC1C2=CC=CC=C2C(=O)O1)C3=CC=C(C=C3)OC.[Cl-]","JLEOZDGLCLKOOC-PDEWKSAASA-N",5479973,NA,"PDBC45696","647605","Present",NA,NA
+"45697","NSC647610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647610",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=O)C2=CC=NC=C2)C=CC3=CC=CC=C3O","HVRQPULLOZMIFZ-CJWOJCOVSA-N",135499279,NA,"PDBC45697","647610","Present",NA,NA
+"45698","NSC647614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647614",NA,"C[N+](C)(C)CC(=O)NN=C(CC1C2=CC=CC=C2C(=O)O1)C3=CC=CC=C3O.[Cl-]","BROHARPVEZVYNW-UHFFFAOYSA-N",135499282,NA,"PDBC45698","647614","Present",NA,NA
+"45699","NSC647624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647624",NA,"CC1(C(C(C2=CC(=C(C=C2O1)OC)OC)O)Br)C","MWVOYXZKZURRNC-KIYNQFGBSA-N",372508,NA,"PDBC45699","647624","Present",NA,NA
+"45700","NSC647660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647660",NA,"CCOC(=O)C1=C(C2=CC=CC=C2N=C1C=NNC3=CC=CC=C3)C4=CC=CC=C4","YYUDNZKYFWUNOB-ONUIUJJFSA-N",5887449,NA,"PDBC45700","647660","Present",NA,NA
+"45701","NSC647711",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647711",NA,"C1=NN2C(=C1C(=O)O)NNC3=C2SC(=N)N=NC3=O.Cl","OMGVNZRYIILLIO-UHFFFAOYSA-N",372532,NA,"PDBC45701","647711","Present",NA,NA
+"45702","NSC647712",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647712",NA,"CC1=NN2C(=C1C#N)NNC3=C2SC(=N)N=NC3=O.Cl","BUASDEYEQDEUQG-UHFFFAOYSA-N",372534,NA,"PDBC45702","647712","Present",NA,NA
+"45703","NSC647716",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647716",NA,"C1=CC=C(C=C1)C[N+]2=CC=CC(=C2)C(=O)NCC3=NC4=C(C=CC5=C4N=CC=C5)C=C3.[Br-]","YYYZBWINBSAHEP-UHFFFAOYSA-N",372539,NA,"PDBC45703","647716","Present",NA,NA
+"45704","NSC647719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647719",NA,"CC1(C2CCC1(C(=NOCCN3CCCC3)C2N4CCOCC4)C)C","HMVWBWXLENYHSD-ILNFXTPASA-N",9571763,NA,"PDBC45704","647719","Present",NA,NA
+"45705","NSC647759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647759",NA,"CCCCCCCCC=CCCCCCCCC(=O)NCCN(CCN)C(=O)CCCCCCCC=CCCCCCCCC","CWTWBRORAOXVRW-CLFAGFIQSA-N",5467178,NA,"PDBC45705","647759","Present",NA,NA
+"45706","NSC647936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647936",NA,"CN(CCC1=CC(=C(C=C1)OC)OC)C2CCC(CC2)(C#N)C3=CC(=C(C=C3)OC)OC.Cl","NDHFLWOPJYFZDF-UHFFFAOYSA-N",372574,NA,"PDBC45706","647936","Present",NA,NA
+"45707","NSC647937",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647937",NA,"COC1=C(C=C(C=C1)CCN2CCC(CC2)(C#N)C3=CC(=C(C=C3)OC)OC)OC.Cl","CFFMZGMQYLNWIP-UHFFFAOYSA-N",372576,NA,"PDBC45707","647937","Present",NA,NA
+"45708","NSC647945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647945",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C=C2C(=O)OC(=N2)C=CC3=CC=CC=C3","XQHPEBMPKYNMKS-PEXWYOMYSA-N",54601701,NA,"PDBC45708","647945","Present",NA,NA
+"45709","NSC648048",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648048",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC3=CC=C(C=C3)C(F)(F)F)CO)O","RPGHQCNKOXWXAX-UHFFFAOYSA-N",372620,NA,"PDBC45709","648048","Present",NA,NA
+"45710","NSC648089",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648089",NA,"CC(=O)OC(C1COC(=O)C1CC2=CC(=C(C(=C2Br)OC)OC)OC)C3=CC4=C(C=C3)OCO4","CBTVCGYSYFVYRN-BUNACBEFSA-N",372638,NA,"PDBC45710","648089","Present",NA,NA
+"45711","NSC648153",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648153",NA,"CN1C2=CC=CC=C2C3=C1C4C(CC3C5=CC=C(C=C5)OC)C(=O)OC4=O","VMTIXTOKJATDHF-BXWFABGCSA-N",372656,NA,"PDBC45711","648153","Present",NA,NA
+"45712","NSC648154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648154",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)Br)C(=O)N(C3=O)C6=CC=CC=C6","OMZQFQIRSYFTRW-TZOUSQANSA-N",372657,NA,"PDBC45712","648154","Present",NA,NA
+"45713","NSC64821",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC64821",NA,"CN(C)C1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C.I","YDDKQQBVOTVXOH-UHFFFAOYSA-N",24187030,NA,"PDBC45713","64821","Present",NA,NA
+"45714","NSC648219",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648219",NA,"CCC12CCCN(C1C3=C(CC2)N(C4=CC=CC=C43)C)CC5=CC=CC=C5.Cl","DVVBKQYYCGZRPI-UHFFFAOYSA-N",372686,NA,"PDBC45714","648219","Present",NA,NA
+"45715","NSC648223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648223",NA,"CCC12CCCNC1C3=C(C(C2)C(=O)OC)N(C4=CC=CC=C43)C.Cl","DSEKZAWEGIWESY-UHFFFAOYSA-N",372692,NA,"PDBC45715","648223","Present",NA,NA
+"45716","NSC648225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648225",NA,"CCC12CCCN(C1C3=C(C(C2)C(=O)OC)N(C4=CC=CC=C43)C)CC5=CC=CC=C5","YFCBXMUGKAVGTO-KYDWWNIQSA-N",372695,NA,"PDBC45716","648225","Present",NA,NA
+"45717","NSC648228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648228",NA,"CC=C1CN2CCC3=C(C2C=C1)NC4=CC=CC=C34","YTLKUODXBRCFIU-OIXVIMQBSA-N",5383332,NA,"PDBC45717","648228","Present",NA,NA
+"45718","NSC648270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648270",NA,"CN(C)CCCNC1=C2C=CC(=CC2=NC=C1)[N+](=O)[O-].Cl","ZFRMDZIILAWJBU-UHFFFAOYSA-N",372706,NA,"PDBC45718","648270","Present",NA,NA
+"45719","NSC648271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648271",NA,"CN1C=C(N=C1C(=O)NC2=CC=C(C=C2)C(=O)NCCN(C)C)[N+](=O)[O-].Cl","ZRZFFMKELCWLKA-UHFFFAOYSA-N",372708,NA,"PDBC45719","648271","Present",NA,NA
+"45720","NSC648272",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648272",NA,"CC1=C(C=CC2=C(C=CN=C12)NCCCN(C)C)[N+](=O)[O-].Cl","QVNKBMVGSPOQGJ-UHFFFAOYSA-N",372710,NA,"PDBC45720","648272","Present",NA,NA
+"45721","NSC648273",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648273",NA,"CC1=C(N=C2C=C(C=CC2=C1NCCCN(C)C)[N+](=O)[O-])C.Cl","MRTHWDAMTZZTLE-UHFFFAOYSA-N",372712,NA,"PDBC45721","648273","Present",NA,NA
+"45722","NSC648316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648316",NA,"CC1=C(C2=C(C=C1)N=C(NC2=O)N)SC3=CC=NC=C3.Cl","JSVRVYCCSLQAON-UHFFFAOYSA-N",135475884,NA,"PDBC45722","648316","Present",NA,NA
+"45723","NSC648319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648319",NA,"CC(=O)C1=CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CC5=CC=CC=C5","BOPMAQPJUSUDFE-PLKPZTHQSA-N",372728,NA,"PDBC45723","648319","Present",NA,NA
+"45724","NSC648339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648339",NA,"CC1=CC(=O)C2=C(N1)NS(=O)(=O)NC2=O","PFXJZIXSPAEQRD-UHFFFAOYSA-N",6711950,NA,"PDBC45724","648339","Present",NA,NA
+"45725","NSC648361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648361",NA,"CC(C)(C)OC(=O)NC1CC(=O)C2=CC=CC=C2N(C1=O)CC(=O)O","UGKLHGPMJBFLFF-NSHDSACASA-N",6711951,NA,"PDBC45725","648361","Present",NA,NA
+"45726","NSC648374",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648374",NA,"CC1(CC(=C(C(=O)O1)C#N)C=C2C3=CC=CC=C3C(=O)O2)C","LATPGGDHRBXODC-VGOFMYFVSA-N",5467205,NA,"PDBC45726","648374","Present",NA,NA
+"45727","NSC648375",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648375",NA,"CC1(CC(=C(C(=O)O1)C(=O)N)C=C2C3=CC=CC=C3C(=O)O2)C","NUTMTSHKIFMGHA-KPKJPENVSA-N",5467206,NA,"PDBC45727","648375","Present",NA,NA
+"45728","NSC648415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648415",NA,"CCC1CN2CCC3=C(C2CC1CC(=O)N(C)C)NC4=CC=CC=C34","JBHSXTSTBKHWGT-XAUUPUKJSA-N",372792,NA,"PDBC45728","648415","Present",NA,NA
+"45729","NSC648468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648468",NA,"CC(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)C","XFZUPCITFHSROM-JHJMLUEUSA-N",372805,NA,"PDBC45729","648468","Present",NA,NA
+"45730","NSC648469",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648469",NA,"CC(C)(C)C1COC(=N1)C(C)(C)C2=NC(CO2)C(C)(C)C","DPMGLJUMNRDNMX-JHJMLUEUSA-N",372806,NA,"PDBC45730","648469","Present",NA,NA
+"45731","NSC648470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648470",NA,"CCCCCCC1CCC2C(C1)CCC(C2CO)O","SXJVCPDTRXROHU-AKNDPVLGSA-N",372807,NA,"PDBC45731","648470","Present",NA,NA
+"45732","NSC648473",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648473",NA,"COCOC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3","GFVSKQIIHDRGOK-CVEARBPZSA-N",372810,NA,"PDBC45732","648473","Present",NA,NA
+"45733","NSC648474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648474",NA,"COCOC1C(N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3","GFVSKQIIHDRGOK-AAFJCEBUSA-N",372811,NA,"PDBC45733","648474","Present",NA,NA
+"45734","NSC648476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648476",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC3=CC(=CC(=C3)F)F)CO)O","VJXVXULNRNTVSP-UHFFFAOYSA-N",372813,NA,"PDBC45734","648476","Present",NA,NA
+"45735","NSC648477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648477",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC3=CC=C(C=C3)F)CO)O","FNGINWUFVMAGTI-UHFFFAOYSA-N",372814,NA,"PDBC45735","648477","Present",NA,NA
+"45736","NSC648478",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648478",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C#CC3=C(C(=C(C(=C3F)F)F)F)F)CO)O","SAMABCWQYTYQMG-UHFFFAOYSA-N",372815,NA,"PDBC45736","648478","Present",NA,NA
+"45737","NSC648482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648482",NA,"CCCOS(=NS(=O)(=O)C1=CC=CC=C1)C2=CC=CC=C2[N+](=O)[O-]","ZZULVVPCGFDUOQ-UHFFFAOYSA-N",6477364,NA,"PDBC45737","648482","Present",NA,NA
+"45738","NSC648538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648538",NA,"CCOC(=O)C(=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O1)Br.CCOC(=O)C(=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O1)Br","MNWKLFGEPKJTHA-LWOGMLARSA-N",5467210,NA,"PDBC45738","648538","Present",NA,NA
+"45739","NSC648550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648550",NA,"C1C(C(OC1N2C=CC(=O)NC2=O)C(CO)O)N","HDLCWWILKKWNET-UHFFFAOYSA-N",372860,NA,"PDBC45739","648550","Present",NA,NA
+"45740","NSC648556",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648556",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3C=CCCC3C4=CC=CC=C42","BAZCTAUTVPNAQT-IEBWSBKVSA-N",372866,NA,"PDBC45740","648556","Present",NA,NA
+"45741","NSC648585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648585",NA,"C1=CC=C2C(=C1)C(C(=O)O2)CC(=NNC(=O)N)C3=CC=CC=C3O","LPFOIVNYAIWPNX-UYRXBGFRSA-N",135499292,NA,"PDBC45741","648585","Present",NA,NA
+"45742","NSC648590",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648590",NA,"CC1=C(C=CC=C1Cl)NC(=O)C(=NO)C(C2=NC3=CC=CC=C3N=C2)C(=O)OC","HEBNVPAJTFXXOK-XIEYBQDHSA-N",6399340,NA,"PDBC45742","648590","Present",NA,NA
+"45743","NSC648591",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648591",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=NN)C(=O)OC","UOHPOMHZHPCOMQ-IMRQLAEWSA-N",5465424,NA,"PDBC45743","648591","Present",NA,NA
+"45744","NSC648597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648597",NA,"CC(=O)C1=CC=C(C=C1)NC(=O)C(=NNC(=S)N)CC(=O)C=CC2=CC=CC=C2","VAXAVVZQELEXOO-WNLZPUCHSA-N",6373592,NA,"PDBC45744","648597","Present",NA,NA
+"45745","NSC648619",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648619",NA,"CC1=CC=C(C=C1)NC(=O)C(=NN(C)C)C(C2C3=CC=CC=C3C(=O)O2)[N+](=O)[O-]","BDTWIWNBXPDRRC-CJLVFECKSA-N",5465428,NA,"PDBC45745","648619","Present",NA,NA
+"45746","NSC648620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648620",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C(=NNC(=S)NN)C(=O)NC3=CC(=C(C=C3)Cl)Cl)[N+](=O)[O-]","HBURQZBWTNGUJE-ZMOGYAJESA-N",5465429,NA,"PDBC45746","648620","Present",NA,NA
+"45747","NSC648637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648637",NA,"CC(=NNC(=O)C1=CC=NC=C1)C2=CC=C(C=C2)NC(=O)C(=O)NN3C(=O)C4=CC=CC=C4NC3=S","HBGAIBVCUIZKKD-MUXKCCDJSA-N",5479613,NA,"PDBC45747","648637","Present",NA,NA
+"45748","NSC648651",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648651",NA,"C1=CC=C(C(=C1)C#N)NC(=O)C(=NNC(=O)C2=CC=NC=C2)C(C3=CN=C4C=CC(=CC4=N3)[N+](=O)[O-])[N+](=O)[O-]","WXYCTCTYUJIRLK-OFWBYEQRSA-N",5479722,NA,"PDBC45748","648651","Present",NA,NA
+"45749","NSC648657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648657",NA,"C1=CC=C2C(=C1)N=CC(=N2)C(C(=NN)C(=O)NC3=C(C=C(C=C3)Cl)Cl)[N+](=O)[O-]","YOQHIYIFYQFBMO-IWIPYMOSSA-N",5480332,NA,"PDBC45749","648657","Present",NA,NA
+"45750","NSC648665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648665",NA,"COC1=CC=CC=C1NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=NNC(=O)N)C(=O)OC","VWKGLTNZCPYRFM-PKAZHMFMSA-N",5481600,NA,"PDBC45750","648665","Present",NA,NA
+"45751","NSC648691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648691",NA,"CCN1C(=O)C(=CC2=COC3=CC=CC=C3C2=O)SC1=S","VAUGFLQWBHLWAJ-KPKJPENVSA-N",5850093,NA,"PDBC45751","648691","Present",NA,NA
+"45752","NSC648803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648803",NA,"CC1(CCC2C(C(=O)CCC1C2=C)C(=O)OC)C","KVUPVDZJHGBEDJ-GMXVVIOVSA-N",373012,NA,"PDBC45752","648803","Present",NA,NA
+"45753","NSC648847",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648847",NA,"CC(C1C(NC1=O)CC(=O)OC)O","HWGNGWLCPQJQBO-KGMSYRRLSA-N",373020,NA,"PDBC45753","648847","Present",NA,NA
+"45754","NSC648905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648905",NA,"CC(C)(C)C1=CC(=NN=C2N(C(=CS2)C3=CC=CC=C3)C4=CC=CC=C4)C=C(C1=O)C(C)(C)C","NOEIXCINDCNTBS-QVTSOHHYSA-N",5465449,NA,"PDBC45754","648905","Present",NA,NA
+"45755","NSC648906",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648906",NA,"CC(C)(C)C1=CC(=NN=C2N(C(=CS2)C3=CC=CC=C3)CC4=CC=CC=C4)C=C(C1=O)C(C)(C)C","PUIKMOAPSPWPER-BLCKFSMSSA-N",5465450,NA,"PDBC45755","648906","Present",NA,NA
+"45756","NSC648907",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648907",NA,"CCCCN1C(=CSC1=NN=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C3=CC=CC=C3","OCHXXBHRGSCTPO-GNVQSUKOSA-N",5465451,NA,"PDBC45756","648907","Present",NA,NA
+"45757","NSC649002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649002",NA,"C1CCN2C(C1)C3CCCCN3C2C4=CC=C(C=C4)[N+](=O)[O-]","LRKQAQJZDSNPOL-KLAILNCOSA-N",373084,NA,"PDBC45757","649002","Present",NA,NA
+"45758","NSC649005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649005",NA,"CCOC(=O)C1=C(N(C(=NNC2=NC3=CC=CC=C3C=C2C4OCCO4)S1)CC5=CC=CC=C5)C","VFUOVDJREUNKDO-WCTVFOPTSA-N",5465454,NA,"PDBC45758","649005","Present",NA,NA
+"45759","NSC649012",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649012",NA,"CC(C)N1C2C(C(=C1C(=O)OC)C(=O)OC)N(C(=C2C(=O)OC)C(=O)OC)C(C)C","GTDXBPSKASJMBT-KBPBESRZSA-N",373092,NA,"PDBC45759","649012","Present",NA,NA
+"45760","NSC649033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649033",NA,"C1=CC2=C(N=C1)N3C=CNNC3=NC2=NN","QFUWHSHBNNLUBF-UHFFFAOYSA-N",135499297,NA,"PDBC45760","649033","Present",NA,NA
+"45761","NSC649050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649050",NA,"CC1=C(N2C=CSC2=N1)C(=O)NN=C3N(C(=O)CS3)C","HNKRQBARRWSIPV-KAMYIIQDSA-N",5480533,NA,"PDBC45761","649050","Present",NA,NA
+"45762","NSC649051",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649051",NA,"CC1=C(N2C=CSC2=N1)C(=O)NN=C3N(C(=O)CS3)CC=C","YSMVOWTZKQKSHF-SSZFMOIBSA-N",5494332,NA,"PDBC45762","649051","Present",NA,NA
+"45763","NSC649078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649078",NA,"CC1C=CC(N2N1C(=O)C3=CC4=CC=CC=C4C=C3C2=O)C(=O)OC","HJBFDSYSLGUEND-BDJLRTHQSA-N",373136,NA,"PDBC45763","649078","Present",NA,NA
+"45764","NSC649093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649093",NA,"COC(=O)C1C2CC3C1C(=O)OC3C2OC(=O)C(C4=CC=CC=C4)(C(F)(F)F)OC","KKLDIHDNZXKKQK-ZYSCFLPZSA-N",373152,NA,"PDBC45764","649093","Present",NA,NA
+"45765","NSC649098",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649098",NA,"CC1(C(OC(O1)C2=CC=CC=C2)C3C4C(OC(=O)O4)ON3C)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7","OLMOTKVMGVXVCC-SZIDVJLUSA-N",6711955,NA,"PDBC45765","649098","Present",NA,NA
+"45766","NSC649114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649114",NA,"CC(C)C(CCl)NC(=O)C1=NC(=CC=C1)C(=O)NC(CCl)C(C)C","VKKAHAQVNLGYOR-GICMACPYSA-N",373166,NA,"PDBC45766","649114","Present",NA,NA
+"45767","NSC649241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649241",NA,"CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F","CCFUYNDERQOITP-FZVHSUQESA-N",373234,NA,"PDBC45767","649241","Present",NA,NA
+"45768","NSC649243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649243",NA,"CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F","YDSBSDBHGZWKKQ-GSPCTGGFSA-N",373236,NA,"PDBC45768","649243","Present",NA,NA
+"45769","NSC649244",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649244",NA,"CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F","YDSBSDBHGZWKKQ-NOSHKWCISA-N",373237,NA,"PDBC45769","649244","Present",NA,NA
+"45770","NSC649245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649245",NA,"CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F","CEUHXNDXXOQXQO-UUUWLHLGSA-N",373238,NA,"PDBC45770","649245","Present",NA,NA
+"45771","NSC649246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649246",NA,"CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)COC5=NC(=NC(=N5)C6=C7C=CC=CC7=CN6C)F)C)O","ISPJLWGJSVJEEH-LEJORYFXSA-N",373239,NA,"PDBC45771","649246","Present",NA,NA
+"45772","NSC649247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649247",NA,"CCCN1C(=C2C=CC=CC2=C1SCC)C3=NC(=NC(=N3)F)OC4=CC5=C(C=C4)C6CCC7(C(C6CC5)CCC7(C#C)O)C","RPXOKTYWKJDGDD-LJZPUUPOSA-N",373240,NA,"PDBC45772","649247","Present",NA,NA
+"45773","NSC649310",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649310",NA,"[C-]#[O+].[C-]#[O+].[C-]#[O+].C1CC2C(C1C3OCCO3)C=CC=CC2=O.[Fe]","PJIAKUCNKASXQK-RABSZCKESA-N",54608741,NA,"PDBC45773","649310","Present",NA,NA
+"45774","NSC649314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649314",NA,"CNC=C(C1=CC=C(C=C1)OC)C(C2=CC(=C(C=C2)OC)OC)O","UGLPTDGOQCOHRD-VBKFSLOCSA-N",54604775,NA,"PDBC45774","649314","Present",NA,NA
+"45775","NSC649318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649318",NA,"CNC=C(C1=CC=C(C=C1)OC)C(=O)C2=CC(=C(C=C2)OC)OC","HNSDIMXSKNMTRC-VBKFSLOCSA-N",54608610,NA,"PDBC45775","649318","Present",NA,NA
+"45776","NSC649319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649319",NA,NA,NA,NA,NA,"PDBC45776","649319","Present",NA,NA
+"45777","NSC649484",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649484",NA,"CCCCCCCOC1=CC=C(C=C1)C=CC2=CC=[N+](C=C2)CCCCCCCC[N+]3=CC=C(C=C3)C=CC4=CC=C(C=C4)OCCCCCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]","DJVROJRPKGTJPK-JDVCJPALSA-M",5467267,NA,"PDBC45777","649484","Present",NA,NA
+"45778","NSC649486",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649486",NA,"C1CCC(C(C1)C2CCCC(C2O)C3CCCCC3O)O","DJLVCJBIEXGIIJ-DMIRVXIJSA-N",6711972,NA,"PDBC45778","649486","Present",NA,NA
+"45779","NSC649487",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649487",NA,"C1CCC(=O)C(C1)C2CCCC(C2=O)C3CCCCC3=O","AYMCCGWUHXVXEX-PYHGIMPFSA-N",6711973,NA,"PDBC45779","649487","Present",NA,NA
+"45780","NSC649553",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649553",NA,"C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)NC(=O)C(=NNC(=S)N)C3C(=O)NC(=S)NC3=O","WDCKOPNOGRZXGI-DNTJNYDQSA-N",54608069,NA,"PDBC45780","649553","Present",NA,NA
+"45781","NSC649559",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649559",NA,"CC1=CC=C(C=C1)NC(=O)C(=NNC(=O)N)C2=C(C3=CC=CC=C3NC2=O)O","UUYXPKKUOPYIBX-HAHDFKILSA-N",135499298,NA,"PDBC45781","649559","Present",NA,NA
+"45782","NSC649571",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649571",NA,"COC1=CC(=C(C=C1)NC(=O)C(=NNC(=O)C[N+]2=CC=CC=C2)C3=C(C4=C(C=C(C=C4)O)OC3=O)O)[N+](=O)[O-].[Cl-]","DGNZAMLINPYIBN-UHFFFAOYSA-N",135499300,NA,"PDBC45782","649571","Present",NA,NA
+"45783","NSC649572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649572",NA,"COC1=CC(=C(C=C1)NC(=O)C(=NNC(=S)N)C2C(=O)NC(=S)NC2=O)OC","ILEMGDWALLLLTE-KEBDBYFISA-N",5465487,NA,"PDBC45783","649572","Present",NA,NA
+"45784","NSC649574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649574",NA,"CC(C)(C)NN=C(CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC1=O)C(=O)NC5=C(C(=O)C6=CC=CC=C6C5=O)Cl","DUUGELMTIMPRDU-BIKKEBSBSA-N",5479912,NA,"PDBC45784","649574","Present",NA,NA
+"45785","NSC649581",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649581",NA,"C1=CC2=C(C=C1Cl)NC(=O)C(=N2)CC(=NNC(=O)N)C(=O)NC3=C(C=C(C=C3)Cl)Cl","QYSOUBGSALGQIK-CVKSISIWSA-N",5465489,NA,"PDBC45785","649581","Present",NA,NA
+"45786","NSC649758",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649758",NA,"CCCCCC(C=CC1C(CC2C1CC(=O)O2)N3CCOCC3)OC4CCCO4","UXFCNTGAUZGEMK-KTTNECAZSA-N",5467279,NA,"PDBC45786","649758","Present",NA,NA
+"45787","NSC649770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649770",NA,"CCCN1CN(CSC1=S)C(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(=C(CS4)C)C(=O)O","SIJFNKDGKLZGAX-LSOHHRALSA-N",135499302,NA,"PDBC45787","649770","Present",NA,NA
+"45788","NSC649771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649771",NA,"CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N4CN(C(=S)SC4)C(C)C)SC1)C(=O)O","RLLDJYRKFNTHPT-LSOHHRALSA-N",6711978,NA,"PDBC45788","649771","Present",NA,NA
+"45789","NSC649772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649772",NA,"CCCN1CN(CSC1=S)C(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(=C(CS4)C)C(=O)O","VXYWHKHEAVFWAM-MNQXGVLQSA-N",6711979,NA,"PDBC45789","649772","Present",NA,NA
+"45790","NSC649773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649773",NA,"CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N4CN(C(=S)SC4)C(C)C)SC1)C(=O)O","AXUHBKPZJHTHPF-MNQXGVLQSA-N",6711980,NA,"PDBC45790","649773","Present",NA,NA
+"45791","NSC649774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649774",NA,"CCCN1CN(CSC1=S)C(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O","DXSWMQGENGTFMW-YZWVMBDNSA-N",135499303,NA,"PDBC45791","649774","Present",NA,NA
+"45792","NSC649775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649775",NA,"CC(C)N1CN(CSC1=S)C(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O","MDXYRYAVESSDPS-YZWVMBDNSA-N",6711982,NA,"PDBC45792","649775","Present",NA,NA
+"45793","NSC649776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649776",NA,"CCCN1CN(CSC1=S)C(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O","IRUWZZNOSLXSML-YZWVMBDNSA-N",135499304,NA,"PDBC45793","649776","Present",NA,NA
+"45794","NSC649777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649777",NA,"CC(C)N1CN(CSC1=S)C(C2=CC=C(C=C2)O)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O","HLOVLXOMEHUUPK-YZWVMBDNSA-N",6711984,NA,"PDBC45794","649777","Present",NA,NA
+"45795","NSC649801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649801",NA,"C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1=O)C(=O)NC3=CC=CC=C3OC.[Cl-]","ZJDUCTPQAXKWLD-UHFFFAOYSA-N",5479979,NA,"PDBC45795","649801","Present",NA,NA
+"45796","NSC649802",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649802",NA,"CC1=C(C=C(C=C1)NC(=O)C(=NNC(=O)C[N+](C)(C)C)CC2=CC(=O)OC3=C2C=CC(=C3)O)C.[Cl-]","BVQLLIZDPVGQOA-UHFFFAOYSA-N",5479981,NA,"PDBC45796","649802","Present",NA,NA
+"45797","NSC649806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649806",NA,"C[N+](C)(C)CC(=O)NN=C(CC1=NC2=C(C=C(C=C2)[N+](=O)[O-])NC1O)C(=O)NC3=C(C=C(C=C3)OC)OC.[Cl-]","ZAPUOHXEPXJQMB-UHFFFAOYSA-N",5479983,NA,"PDBC45797","649806","Present",NA,NA
+"45798","NSC649807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649807",NA,"C1=CC(=CC=C1NC(=O)C(=NNC(=S)N)CC2=NC3=C(C=C(C=C3)Cl)NC2=O)Cl","DIHUEANORPOBQD-MFKUBSTISA-N",5465493,NA,"PDBC45798","649807","Present",NA,NA
+"45799","NSC649808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649808",NA,"CC1=CC(=C(C=C1)NC(=O)C(=NNC(=O)C[N+]2=CC=CC=C2)CC3=NC4=C(C=C(C=C4)[N+](=O)[O-])NC3=O)C.[Cl-]","YTQQJGOVAVAUBQ-UHFFFAOYSA-N",54600886,NA,"PDBC45799","649808","Present",NA,NA
+"45800","NSC649810",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649810",NA,"C[N+](C)(C)CC(=O)NN=C(CC(=O)CC(C1=C(C2=CC=CC=C2OC1)O)C3=CC=CC=C3)C(=O)NC4=CC(=CC=C4)Cl.[Cl-]","BYNXJJRZUKKFOW-UHFFFAOYSA-N",9555901,NA,"PDBC45800","649810","Present",NA,NA
+"45801","NSC649812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649812",NA,"CC1=C(C(=CC=C1)C)NC(=O)C(=NO)CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","MMLFXOGJGBIQEQ-UQRQXUALSA-N",54692433,NA,"PDBC45801","649812","Present",NA,NA
+"45802","NSC649816",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649816",NA,"CC1=CC=C(C=C1)NC(=O)C(=NNC(C)(C)C)CC2C(N=C3C=CC4=C(C5=CC=CC=C5C(=C4C3=N2)O)O)O","DZBVZBDQTBGYJF-PPFNPFNJSA-N",135499305,NA,"PDBC45802","649816","Present",NA,NA
+"45803","NSC649824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649824",NA,"C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=NNC(=O)N)CC2=CC(=O)OC3=C2C=CC(=C3)O","YRSWRKLYEFMCGQ-BUVRLJJBSA-N",5465495,NA,"PDBC45803","649824","Present",NA,NA
+"45804","NSC649830",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649830",NA,"CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)C(=NO)CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","YTKUIBWWTCQQCX-ROMHNNFLSA-N",54692435,NA,"PDBC45804","649830","Present",NA,NA
+"45805","NSC649836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649836",NA,"CC1=CC=C(C=C1)NC(=O)C(=O)C(C2=NC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)NC2=O)C(=NNC(=O)N)C(=O)OC","VPAHOSCJAXNCHK-PPFNPFNJSA-N",5465497,NA,"PDBC45805","649836","Present",NA,NA
+"45806","NSC649838",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649838",NA,"CC1=C(SC(=N1)C(=S)N)C(=NNC(=O)C2=CC=NC=C2)CC(=O)C(=O)NC3=CC=CC4=C3C=C(C=C4)O","PINIBNOVSFLMEK-FSGOGVSDSA-N",9554689,NA,"PDBC45806","649838","Present",NA,NA
+"45807","NSC649901",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649901",NA,"CN1C(=O)C(C2=NC3=CC=CC=C3N2C1=O)(N=[N+]=[N-])N=[N+]=[N-]","JRCTYJWPPKXNIG-UHFFFAOYSA-N",355879,NA,"PDBC45807","649901","Present",NA,NA
+"45808","NSC649970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649970",NA,"CC1=C2C3COC4=CC=CC=C4C3OC2=CC(=C1O)OC","MOTRDZXGAHLQSQ-PIGZYNQJSA-N",373517,NA,"PDBC45808","649970","Present",NA,NA
+"45809","NSC649972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649972",NA,"COC1=CC2=C(C=C1)C3C(CO2)C4=CC5=C(C=C4O3)OCO5","YLZYAUCOYZKLMA-SJKOYZFVSA-N",373519,NA,"PDBC45809","649972","Present",NA,NA
+"45810","NSC649973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649973",NA,"COC1=CC(=O)C2C3COC4=CC=CC=C4C3C2C1=O","YTIXKXBJSQXELS-VXWAXNFESA-N",373520,NA,"PDBC45810","649973","Present",NA,NA
+"45811","NSC649974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649974",NA,"CC1(C2C(C3C2C(=O)C=C(C3=O)OC)C4=CC=CC=C4O1)C","UJWOEWQVFNLPNY-LBDPXKHJSA-N",373521,NA,"PDBC45811","649974","Present",NA,NA
+"45812","NSC649975",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649975",NA,"CC1C(OC2=C1C=C(C=C2)O)C3=CC(=C(C=C3)OC)OC","OJYXMOVKHAFYBH-YOZOHBORSA-N",373522,NA,"PDBC45812","649975","Present",NA,NA
+"45813","NSC649976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649976",NA,"CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC=C(C=C3)OC","GNKJCSKSYGABME-YOZOHBORSA-N",373523,NA,"PDBC45813","649976","Present",NA,NA
+"45814","NSC649977",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649977",NA,"CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC=CC=C3OC","QHWWCAFEEBCBHX-YOZOHBORSA-N",373524,NA,"PDBC45814","649977","Present",NA,NA
+"45815","NSC649978",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649978",NA,"CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC(=C(C=C3)OC)OC","YELZOBATXOVYIK-APDXDRDNSA-N",373525,NA,"PDBC45815","649978","Present",NA,NA
+"45816","NSC649979",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649979",NA,"CC1C(OC2=CC(=C(C=C12)O)OC)C3=CC=C(C=C3)Cl","ZPISPGQVKRSJNK-XUOZKRPMSA-N",373526,NA,"PDBC45816","649979","Present",NA,NA
+"45817","NSC649980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649980",NA,"CC1C(OC2=CC(=C(C(=C12)C)O)OC)C3=CC=C(C=C3)OC","OZXLMLXPYBYMSL-SSJGJQFISA-N",373527,NA,"PDBC45817","649980","Present",NA,NA
+"45818","NSC649981",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649981",NA,"CC1C(OC2=C(C(=C(C=C12)O)OC)C)C3=CC(=C(C=C3)OC)OC","MVMPXFIUJRKPNQ-YOZOHBORSA-N",373528,NA,"PDBC45818","649981","Present",NA,NA
+"45819","NSC649982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649982",NA,"CC1C(C2C1C(=O)C=CC2=O)C3=CC(=C(C=C3)OC)OC","CRTMZELYUJTTGD-QRELXHCTSA-N",373529,NA,"PDBC45819","649982","Present",NA,NA
+"45820","NSC649983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649983",NA,"CC1C(C2C1C(=O)C=C(C2=O)OC)C3=CC(=C(C=C3)OC)OC","RWEAKXVIDIGXGD-QRELXHCTSA-N",373530,NA,"PDBC45820","649983","Present",NA,NA
+"45821","NSC649984",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649984",NA,"CC1C(C2C1C(=O)C=C(C2=O)OC)C3=CC=C(C=C3)Cl","VEBNWWHDKABEOT-UZHNVFPFSA-N",373531,NA,"PDBC45821","649984","Present",NA,NA
+"45822","NSC649985",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649985",NA,"CC1C(C2C1C(=O)C=C(C2=O)OC)C3=CC=CC=C3","FXGRHVYORAQGKF-YKQYAQRKSA-N",373532,NA,"PDBC45822","649985","Present",NA,NA
+"45823","NSC649986",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649986",NA,"CC1C(C2C1C(=O)C(=C(C2=O)OC)C)C3=CC(=C(C=C3)OC)OC","MWPBTBVKSUTUTJ-WNFKFWPQSA-N",373533,NA,"PDBC45823","649986","Present",NA,NA
+"45824","NSC649987",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649987",NA,"CC1C(C2(C1C(=O)C=C(C2=O)OC)C)C3=CC=CC=C3","HYVNVJZTOJCXSS-NPQOPSBLSA-N",373534,NA,"PDBC45824","649987","Present",NA,NA
+"45825","NSC649988",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649988",NA,"CC1C(C2C1(C(=O)C=C(C2=O)OC)C)C3=CC=CC=C3","YZNPDKLMRJVDJS-KJFQIRSCSA-N",373535,NA,"PDBC45825","649988","Present",NA,NA
+"45826","NSC649989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649989",NA,"CC1C(C2(C1C(=O)C(=CC2=O)OC)C)C3=CC=CC=C3","FDAAKNZTLXVOAY-ZSQADZGTSA-N",373536,NA,"PDBC45826","649989","Present",NA,NA
+"45827","NSC649990",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649990",NA,"CC1C(C2(C1C(=O)C(=CC2=O)OC)C)C3=CC=C(C=C3)OC","OJLYVQNVJQRDST-DHDSUBDKSA-N",373537,NA,"PDBC45827","649990","Present",NA,NA
+"45828","NSC649991",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649991",NA,"COC1=CC(=O)C2C3CC4=CC=CC=C4C3C2C1=O","QKAJQOCEXLULNU-IVWOWJMFSA-N",373538,NA,"PDBC45828","649991","Present",NA,NA
+"45829","NSC649992",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC649992",NA,"CC12C3C(C1C(=O)C=C(C2=O)OC)CC4=CC=CC=C34","SXNJKKHAGOOUMD-PNIKOYRFSA-N",373539,NA,"PDBC45829","649992","Present",NA,NA
+"45830","NSC650076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650076",NA,"C1=C(C2=C(N1)C(=O)NC=N2)C3C(C(C(O3)CO)O)O.Cl","GDAGAPMUKSNUMR-UHFFFAOYSA-N",135499306,NA,"PDBC45830","650076","Present",NA,NA
+"45831","NSC650296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650296",NA,"COCOC1CCCCC1(C2=CC=CC=C2)OCCOCCOC3(CCCCC3OCOC)C4=CC=CC=C4","OKOFNYZUBZALER-VZMZSXMMSA-N",6711989,NA,"PDBC45831","650296","Present",NA,NA
+"45832","NSC650356",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650356",NA,"CCN1C2=CC=CC=C2C3=C1C4C(CC3C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC=CC=C6","ZFQMXFQCOWJIPP-PQXIJOGNSA-N",373636,NA,"PDBC45832","650356","Present",NA,NA
+"45833","NSC650361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650361",NA,"CC1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","VKTZBDQRVLTQFN-PEZGLPSVSA-N",373641,NA,"PDBC45833","650361","Present",NA,NA
+"45834","NSC650364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650364",NA,"COC1=CC=C(C=C1)C2CC3C(C4=C2C5=CC=CC=C5N4)C(=O)N(C3=O)C6=CC=C(C=C6)OC","ALSNHYHZSIFBLT-PQXIJOGNSA-N",373644,NA,"PDBC45834","650364","Present",NA,NA
+"45835","NSC650463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650463",NA,"CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)O.Br","UFTUNAKMYFOIEJ-UHFFFAOYSA-N",373667,NA,"PDBC45835","650463","Present",NA,NA
+"45836","NSC650469",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650469",NA,"CCC12C=CCN3C1C4(CC3)C5=CC=CC=C5NC4=C(C2NC6=C7C(=NC=N6)N(C=N7)C8C(C(C(O8)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC","MQDLQYBMCGHXCR-GGSFUFBMSA-N",373674,NA,"PDBC45836","650469","Present",NA,NA
+"45837","NSC650470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650470",NA,"CCC12C=CCN3C1C4(CC3)C5=CC=CC=C5NC4=C(C2NC6=NC(=O)N(C=C6)C7C(C(C(O7)COC(=O)C)OC(=O)C)OC(=O)C)C(=O)OC","SHIHTQHXHZXWJD-RDOIOSGHSA-N",373675,NA,"PDBC45837","650470","Present",NA,NA
+"45838","NSC650576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650576",NA,"C1C(=O)N=C(S1)C(=CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3","NNMKULLTADOZFY-JLHYYAGUSA-N",6111170,NA,"PDBC45838","650576","Present",NA,NA
+"45839","NSC650577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650577",NA,"C1C(=O)N=C(S1)C(=NNC2=CC=CC=C2)C3=NC4=CC=CC=C4N3","WFPIZQNOOFJDCX-PXLXIMEGSA-N",135408960,NA,"PDBC45839","650577","Present",NA,NA
+"45840","NSC650595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650595",NA,"COC1=C(C=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)Cl)C=NO)OC","NHKNWQYJZGAGRG-RDEUSQHUSA-N",5896935,NA,"PDBC45840","650595","Present",NA,NA
+"45841","NSC650630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650630",NA,"C1=CC=C(C=C1)[P+](CCSCCSCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]","BVEMKGPAWFQUMO-UHFFFAOYSA-M",373728,NA,"PDBC45841","650630","Present",NA,NA
+"45842","NSC650631",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650631",NA,"C1=CC=C(C=C1)[P+](CCNCCNCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-]","QJVZHTSWFLUDHP-UHFFFAOYSA-M",373730,NA,"PDBC45842","650631","Present",NA,NA
+"45843","NSC650642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650642",NA,"C1C(SC(CO1)CS)CS","QHRIBVBFVXWWIM-OLQVQODUSA-N",373743,NA,"PDBC45843","650642","Present",NA,NA
+"45844","NSC650707",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650707",NA,"CC1=C2C3(CCC1N4N3C(=O)N(C4=O)C)C5CN2N6N5C(=O)N(C6=O)C","ATGJSFVWLWGINF-OSPBMLLASA-N",373753,NA,"PDBC45844","650707","Present",NA,NA
+"45845","NSC650710",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650710",NA,"CC1C(CC2C1C3C(CCC2(C)OC(=O)C)C(C(=O)O3)C)O","ZTBZCOXVNCZCFN-SWIYFCQOSA-N",6711992,NA,"PDBC45845","650710","Present",NA,NA
+"45846","NSC650743",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650743",NA,"CC1(CC(C(C(C1)(C)C)O)C2CC(CC(C2O)(C)C)(C)C)C","GVBJCHUGNWBOHA-STONLHKKSA-N",373779,NA,"PDBC45846","650743","Present",NA,NA
+"45847","NSC650751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650751",NA,"CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCC5=CC6=C(C7=C(CC6)C(=C8CCCC(=CC9=CC=CC=C9)C8=N7)CCCC)N=C54","GNYAZJNXOJRBEE-YHNORJNTSA-N",5467332,NA,"PDBC45847","650751","Present",NA,NA
+"45848","NSC650752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650752",NA,"CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCC5=CC(=C(N=C54)N)C=O.Cl","CJJWJOBAXXFEIT-QTCZRQAZSA-N",5467333,NA,"PDBC45848","650752","Present",NA,NA
+"45849","NSC650755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650755",NA,"CCCCC1=C2CCCC(=CC3=CC=CC=C3)C2=NC4=C1CCC5=CC6=CC7=C(C8=C(CC7)C(=C9CCCC(=CC1=CC=CC=C1)C9=N8)CCCC)N=C6N=C54","AFMAFNKUKLUWAO-ZRBLUKEISA-N",5467337,NA,"PDBC45849","650755","Present",NA,NA
+"45850","NSC650757",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650757",NA,"CCCCC1=C2CCC(=CC3=CC=CC=C3)C(=O)C2=NC4=C1CCCC4","MKYYMYHNGVVXFN-FBMGVBCBSA-N",5467338,NA,"PDBC45850","650757","Present",NA,NA
+"45851","NSC650758",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650758",NA,"CCCCC1=C2CCC(=CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C2=NC4=C1CCCC4","SAMIHZDNFZDXBU-BMRADRMJSA-N",5467339,NA,"PDBC45851","650758","Present",NA,NA
+"45852","NSC650785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650785",NA,"C1CCC2C(C1)SCCCSCCSCCCS2","FXFGLYRNCVPDND-KWCCSABGSA-N",373822,NA,"PDBC45852","650785","Present",NA,NA
+"45853","NSC650787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650787",NA,"C1CCC2C(C1)SCCCSCCSS2","JEFHIEBTVCZJLN-RRKGBCIJSA-N",373824,NA,"PDBC45853","650787","Present",NA,NA
+"45854","NSC650789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650789",NA,"C1CCC2C(C1)SSC3CCCCC3SS2","VPXVMQIMFNESNB-HBIQZDMRSA-N",373826,NA,"PDBC45854","650789","Present",NA,NA
+"45855","NSC650797",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650797",NA,"C1CSCC2COCC(S2)CSCCS1","NQJITJAXBXYDDR-AOOOYVTPSA-N",373834,NA,"PDBC45855","650797","Present",NA,NA
+"45856","NSC650825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650825",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)C3=C(N(N(C3=O)C4=CC=CC=C4)C)C","XBPAWLOIOIZXJC-UHFFFAOYSA-N",373862,NA,"PDBC45856","650825","Present",NA,NA
+"45857","NSC650873",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650873",NA,"CC(C)N(C(C)C)P(OCCC#N)OC1CC(OC1COC(=O)NCCCCCCNC(=O)OC(C)(C)C2=CC=C(C=C2)C3=CC=CC=C3)N4C=NC5=C4N=CNC5=O","XNZNOMAAPCEKGO-UHFFFAOYSA-N",135408965,NA,"PDBC45857","650873","Present",NA,NA
+"45858","NSC650876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650876",NA,"CCCCCC#COC1CC(CCC1C(C)C)C","WNHSZEDZLLRHMD-AQFXKWCLSA-N",373884,NA,"PDBC45858","650876","Present",NA,NA
+"45859","NSC650905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650905",NA,"C1=CN(C(=N1)[N+](=O)[O-])CC2C(C(C(C(O2)N3C=CN=C3[N+](=O)[O-])O)O)O","WEJXWSFQNJZJHV-UHFFFAOYSA-N",373897,NA,"PDBC45859","650905","Present",NA,NA
+"45860","NSC650944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650944",NA,"CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(C(O7)CO)O)O)O)OC8C(C(C(CO8)O)O)O)C","QMNWISYXSJWHRY-PTWRMAPTSA-N",373916,NA,"PDBC45860","650944","Present",NA,NA
+"45861","NSC650971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650971",NA,"C1=CC=C(C=C1)C2=NC3=C(N2)C(=NS(=O)(=O)N3)N","HWOAHFPUNSYORN-UHFFFAOYSA-N",135408967,NA,"PDBC45861","650971","Present",NA,NA
+"45862","NSC650972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650972",NA,"[Li+].CCCCCCCCC(C1=CC=C(S1)C=CC(CCCC(=O)O)O)O","MHNKENMBTWEXKJ-USGGBSEESA-N",54600901,NA,"PDBC45862","650972","Present",NA,NA
+"45863","NSC650979",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650979",NA,"CCOC(=O)C1CSCC(N1)C(=O)OC","BCTZIPOTCYFCKC-NKWVEPMBSA-N",6712000,NA,"PDBC45863","650979","Present",NA,NA
+"45864","NSC650980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650980",NA,"C1=CC=C2C(=C1)C=C3C4C(C(=O)N4C5=CC=CC=C5OC3=N2)Cl","QBJODZROSBYVHG-HZPDHXFCSA-N",6712001,NA,"PDBC45864","650980","Present",NA,NA
+"45865","NSC650993",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650993",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=NNN=C3C(=O)NC2=O)OC(=O)C)OC(=O)C)OC(=O)C","RVNWIFWWWPAOCB-UHFFFAOYSA-N",373962,NA,"PDBC45865","650993","Present",NA,NA
+"45866","NSC651007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651007",NA,"CC(CCC1C(S1)(C)C)C2CCC3(C2(CCC4=C3CCC5C4(CCC(C5(C)C)O)C)C)C","GVPPAVINGHXLKM-FIIWSTMCSA-N",6712002,NA,"PDBC45866","651007","Present",NA,NA
+"45867","NSC651031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651031",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(C)O)N3C=NC=N3","UUKCXTBOFZZPRV-UHFFFAOYSA-N",373994,NA,"PDBC45867","651031","Present",NA,NA
+"45868","NSC651081",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651081",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)O)NC(=O)C","WRAMKCTUNQLRAM-UHFFFAOYSA-N",374007,NA,"PDBC45868","651081","Present",NA,NA
+"45869","NSC651083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651083",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)CCl)NC(=O)C","QRMDOHVWPHIYAC-UHFFFAOYSA-N",374009,NA,"PDBC45869","651083","Present",NA,NA
+"45870","NSC651084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651084",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)COC)NC(=O)C","IEGPEJKOKNPIHK-UHFFFAOYSA-N",374010,NA,"PDBC45870","651084","Present",NA,NA
+"45871","NSC651085",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651085",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)C4=CC=CC=C4)NC(=O)C","WEGRWWZXLSYSBE-UHFFFAOYSA-N",374011,NA,"PDBC45871","651085","Present",NA,NA
+"45872","NSC651316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651316",NA,"CC1CCC2C1C(OC(=O)C2)C3C4CCC(C4C(OC3=O)C5=CCCC5)C","PNQRQHZSONLAAC-YNQVTCMJSA-N",374060,NA,"PDBC45872","651316","Present",NA,NA
+"45873","NSC651317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651317",NA,"CCOC(=O)C(=CC=C1C=CNC2=NCCN12)C#N","KYCCQEPHQYGGBL-ABRIWZISSA-N",5467360,NA,"PDBC45873","651317","Present",NA,NA
+"45874","NSC651319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651319",NA,"CC1(OC(C(O1)CCC=CCO)CCC=CCO)C","CEKVLJSMOOEKNE-UPFFOMSQSA-N",5467361,NA,"PDBC45874","651319","Present",NA,NA
+"45875","NSC651320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651320",NA,"CC1C=C(C(=O)O1)CCCCCCCCCCCCC(C2CCC(O2)C3CCC(O3)C(CCCCCCCCCCCCC4=CC(OC4=O)C)O)O","NDAWFQZVUILIMC-OWPIMANPSA-N",374064,NA,"PDBC45875","651320","Present",NA,NA
+"45876","NSC651324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651324",NA,"CC1(OC(CC(O1)C#N)CCl)C","GGUJVQFTHIKTRP-RNFRBKRXSA-N",6712006,NA,"PDBC45876","651324","Present",NA,NA
+"45877","NSC651325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651325",NA,"CC1(OC(CC(O1)C#N)CC2(CC(OC(O2)(C)C)CCl)C#N)C","QOWDBEAYGOCECS-OQMKEHIESA-N",6712007,NA,"PDBC45877","651325","Present",NA,NA
+"45878","NSC651326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651326",NA,"CC1(OC(CC(O1)(CC=C)C#N)CC2(CC(OC(O2)(C)C)CCl)C#N)C","JLPYLHCZOCLFRU-VVWQDTPRSA-N",54604784,NA,"PDBC45878","651326","Present",NA,NA
+"45879","NSC651327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651327",NA,"CCCCCC(CC(CC(CC(CC(CC(CC(CC(CC(CC(CC=C)OC)OC)OC)OC)OC)OC)OC)OC)OC)OC","OXGGBELMJKZUBN-KFLVAVFTSA-N",374068,NA,"PDBC45879","651327","Present",NA,NA
+"45880","NSC651329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651329",NA,"CC(C)[Si](C(C)C)(C(C)C)OCC1CC(OC(O1)(C)C)CC2CC(OC(O2)(C)C)CC3CC(OC(O3)(C)C)CO[Si](C(C)C)(C(C)C)C(C)C","OEFQNGCHHAIRRS-JEZMJEHPSA-N",374070,NA,"PDBC45880","651329","Present",NA,NA
+"45881","NSC651330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651330",NA,"CC1(OC(CC(O1)C#N)CCl)C","GGUJVQFTHIKTRP-RQJHMYQMSA-N",6712009,NA,"PDBC45881","651330","Present",NA,NA
+"45882","NSC651331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651331",NA,"CC1(OC(CC(O1)CC2(CC(OC(O2)(C)C)CCl)C#N)CC3(CC(OC(O3)(C)C)CCl)C#N)C","QRQJMYPKSQCRNW-OKJKAMIVSA-N",54608539,NA,"PDBC45882","651331","Present",NA,NA
+"45883","NSC651359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651359",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(N=CN1)N=NN(C)C","UWULJLFDMFZOLZ-MEFNJXNFSA-N",135499318,NA,"PDBC45883","651359","Present",NA,NA
+"45884","NSC651361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651361",NA,"CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(NC=N2)[N+](=O)[O-]","QQXNWGBZNQLWBB-NSHDSACASA-N",135408974,NA,"PDBC45884","651361","Present",NA,NA
+"45885","NSC651363",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651363",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=C(NC=N1)[N+](=O)[O-]","LQPKBADOUWEJPO-QMMMGPOBSA-N",135408976,NA,"PDBC45885","651363","Present",NA,NA
+"45886","NSC651421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651421",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(C(C2=O)OC3=CC=CC=C3)C=CC4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","MZAVUYIKPOMIAJ-OPIRCSDXSA-N",11970000,NA,"PDBC45886","651421","Present",NA,NA
+"45887","NSC651491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651491",NA,"CC(C1C(C(=O)N1C(C2=CC=C(C=C2)OC)C(=O)OC)NC(=O)C3=CC=CC=C3)O","DIXGZIXIDMCOKM-NEUCPAETSA-N",6712012,NA,"PDBC45887","651491","Present",NA,NA
+"45888","NSC651560",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651560",NA,"CCC12C(=NOC1(CC(=N2)N(C)C)O)C","HFTAUSUTRQOYJK-UWVGGRQHSA-N",374134,NA,"PDBC45888","651560","Present",NA,NA
+"45889","NSC651591",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651591",NA,"CC(=NOC(=O)C1=CC=CC=C1)CCN(C)C.Cl","MHVPLROOFJWISR-JHGYPSGKSA-N",20836486,NA,"PDBC45889","651591","Present",NA,NA
+"45890","NSC651592",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651592",NA,"CN(C)CC1CCCC(C1=NOC(=O)C2=CC=CC=C2)CN(C)C.Cl","DZSNUHPPSXSHLU-UHFFFAOYSA-N",374140,NA,"PDBC45890","651592","Present",NA,NA
+"45891","NSC651641",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651641",NA,"C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)O","NADFAJBDQOIGEK-UHFFFAOYSA-N",374166,NA,"PDBC45891","651641","Present",NA,NA
+"45892","NSC651646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651646",NA,"C1=CC(=CC=C1C=NNC(=O)C2=CC=C(C=C2)NC(=O)CCl)Cl","MHJKTYAIXNKDHU-VXLYETTFSA-N",9574065,NA,"PDBC45892","651646","Present",NA,NA
+"45893","NSC651657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651657",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)OC","CFUGHBUMEYSBNF-UHFFFAOYSA-N",374181,NA,"PDBC45893","651657","Present",NA,NA
+"45894","NSC651663",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651663",NA,"CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C=CC3=CC=CC=C3","VJBMUESHSPZPMA-KPKJPENVSA-N",5803363,NA,"PDBC45894","651663","Present",NA,NA
+"45895","NSC651748",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651748",NA,"CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)Cl)(C3=CC=C(C=C3)Cl)O.Br","MPDLWUNLEDXHFA-UHFFFAOYSA-N",374248,NA,"PDBC45895","651748","Present",NA,NA
+"45896","NSC651813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651813",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OCCCCN(CCCSC5C(C(C(C(O5)CO)O)O)O)O)C)C","DPGMQUFANJGANG-CZBQLAETSA-N",374294,NA,"PDBC45896","651813","Present",NA,NA
+"45897","NSC651814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651814",NA,"CC1=CN(C(=O)NC1=O)C2CC3C(O2)COCN3O","XPWHXCAXOARGSM-UHFFFAOYSA-N",374295,NA,"PDBC45897","651814","Present",NA,NA
+"45898","NSC651815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651815",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N(CC3=CC=CC=C3)O","IGGPQIKMNQRCLB-UHFFFAOYSA-N",374296,NA,"PDBC45898","651815","Present",NA,NA
+"45899","NSC651816",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651816",NA,"CC1(OC2C3C(COP(=O)(O3)N(CCCl)CCCl)OC2O1)C","YSYRTTLOJUVIIT-UHFFFAOYSA-N",374297,NA,"PDBC45899","651816","Present",NA,NA
+"45900","NSC651836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651836",NA,"CC(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","VDYDCVUWILIYQF-RNJXMRFFSA-N",6712017,NA,"PDBC45900","651836","Present",NA,NA
+"45901","NSC651837",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651837",NA,"CCN(CC)CC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CN(CC)CC.CC(=O)O","TWOQBHPXCAMKDD-UHFFFAOYSA-N",374308,NA,"PDBC45901","651837","Present",NA,NA
+"45902","NSC651838",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651838",NA,"CC(=O)O.C1CCN(CC1)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCCCC5","RRFJPQUUXAAHCG-UHFFFAOYSA-N",374309,NA,"PDBC45902","651838","Present",NA,NA
+"45903","NSC651839",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651839",NA,"CCN(CC)CCC(=O)NC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)NC(=O)CCN(CC)CC.CC(=O)O","PJENTVJMSAUIFJ-UHFFFAOYSA-N",374310,NA,"PDBC45903","651839","Present",NA,NA
+"45904","NSC651840",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651840",NA,"CC(=O)O.C1CCN(C(C1)CCO)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCCCC5CCO","BZEXHRDIPIHBHM-UHFFFAOYSA-N",374312,NA,"PDBC45904","651840","Present",NA,NA
+"45905","NSC651841",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651841",NA,"CC(=O)O.C1CN(CCC1CCO)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCC(CC5)CCO","AEXOUXVFWGZCHL-UHFFFAOYSA-N",374314,NA,"PDBC45905","651841","Present",NA,NA
+"45906","NSC651842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651842",NA,"CC(=O)O.C1CCN(C(C1)CO)CCC(=O)NC2=CC3=C(C=C2)C(=O)C4=C(C3=O)C=CC(=C4)NC(=O)CCN5CCCCC5CO","YTXITPGMVJQOBX-UHFFFAOYSA-N",374316,NA,"PDBC45906","651842","Present",NA,NA
+"45907","NSC651847",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651847",NA,"CCC(COC(=O)CCC(C(=O)N)NC(=O)C(C)NC(=O)C(C)OC1C(C(OC(C1O)CO)OCC2=CC=CC=C2)NC(=O)C)NC3C4=CC=CC=C4NC5=C3C(=CC=C5)[N+](=O)[O-]","ALBKXXNDZXDQOD-UKQHGPRESA-N",374323,NA,"PDBC45907","651847","Present",NA,NA
+"45908","NSC651848",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651848",NA,"CC(C(=O)NC(CCC(=O)OC)C(=O)N)NC(=O)COC1C(C(OC(C1O)COC(=O)CCCCCCCCCCNC(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=O)C=CC(=C4)Br)OCC5=CC=CC=C5)NC(=O)C","SVLIDTGRQCJMDJ-JUNGTQMHSA-N",374324,NA,"PDBC45908","651848","Present",NA,NA
+"45909","NSC651915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651915",NA,"CN1C=NC(=N1)CCC2=CC=CC=C2.Cl","AUVPSAUOGMXHFT-UHFFFAOYSA-N",374340,NA,"PDBC45909","651915","Present",NA,NA
+"45910","NSC651916",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651916",NA,"CN1C(=NC=N1)CCC2=CC=CC=C2.Cl","HDKIMPKBUKYQNU-UHFFFAOYSA-N",374342,NA,"PDBC45910","651916","Present",NA,NA
+"45911","NSC651918",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651918",NA,"C1=CC(=CC=C1CCN2C=NC=N2)Cl.Cl","OHMFGXYSQRYZSZ-UHFFFAOYSA-N",374345,NA,"PDBC45911","651918","Present",NA,NA
+"45912","NSC651920",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651920",NA,"CN1C=CN=C1CCC2=CC(=C(C=C2)Cl)Cl.Cl","KBQBGXBYGGFZNZ-UHFFFAOYSA-N",374347,NA,"PDBC45912","651920","Present",NA,NA
+"45913","NSC651921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC651921",NA,"CN1C=CN=C1CCC2=C(C=CC=C2Cl)Cl.Cl","NNUGCQCPVCGXQB-UHFFFAOYSA-N",374349,NA,"PDBC45913","651921","Present",NA,NA
+"45914","NSC652027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652027",NA,"COC1=CC=C(C=C1)C=NNC(=C2C(=N)N(C(=C(C#N)C#N)S2)C3=CC=CC=C3)O","NSIVGMRMZBNHRP-BVUBMYBLSA-N",135434064,NA,"PDBC45914","652027","Present",NA,NA
+"45915","NSC652028",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652028",NA,"CCOC(=O)C(=C1N(C(=N)C(=C(NN=CC2=CC=C(C=C2)OC)O)S1)C3=CC=CC=C3)C#N","KPMGYHRSPUYDFJ-SYHWIDHXSA-N",135499326,NA,"PDBC45915","652028","Present",NA,NA
+"45916","NSC652030",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652030",NA,"CCOC(=O)C(=C1N(C2=C(S1)C(=O)N(C=N2)N=CC3=CC=C(C=C3)OC)C4=CC=CC=C4)C#N","WSZRJYQCZHMVAK-TZZLTZKDSA-N",9571785,NA,"PDBC45916","652030","Present",NA,NA
+"45917","NSC652033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652033",NA,"CC1=CC=C(C=C1)N2C(=O)C(=C3N(C(=N)C(=C(N)O)S3)C4=CC=CC=C4)SC2=S","GSJLJGXKURXMFY-GENXKXRTSA-N",135499327,NA,"PDBC45917","652033","Present",NA,NA
+"45918","NSC652034",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652034",NA,"CCOC(=C1C(=N)N(C(=C2C(=O)N(C(=S)S2)C3=CC=C(C=C3)C)S1)C4=CC=CC=C4)O","VZRGMJRWDACLBW-JXRFPEDISA-N",135499328,NA,"PDBC45918","652034","Present",NA,NA
+"45919","NSC652035",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652035",NA,"CC1=CC=C(C=C1)N2C(=O)C(=C3N(C(=N)C(=C(N)O)S3)CC=C)SC2=S","MVXYHERBYQGCBS-NLWYJYPRSA-N",135499329,NA,"PDBC45919","652035","Present",NA,NA
+"45920","NSC652038",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652038",NA,"C1=CC=C(C=C1)N2C(=N)C(=C(N)O)SC2=C(C#N)C3=NC4=CC=CC=C4N3","BHHSFZJMHLEAQH-GKBIYHSDSA-N",135430602,NA,"PDBC45920","652038","Present",NA,NA
+"45921","NSC652039",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652039",NA,"CCOC(=C1C(=N)N(C(=C(C#N)C2=NC3=CC=CC=C3N2)S1)C4=CC=CC=C4)O","BPPVBRIKLQAZHT-YYATUQFHSA-N",135497317,NA,"PDBC45921","652039","Present",NA,NA
+"45922","NSC652040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652040",NA,"C1C(=O)N(C(=C(C#N)C2=NC3=CC=CC=C3N2)S1)C4=CC=CC=C4","MVAFUUKNQCWZLZ-QGOAFFKASA-N",5467400,NA,"PDBC45922","652040","Present",NA,NA
+"45923","NSC652041",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652041",NA,"C1=CC=C(C=C1)N=NC2C(=O)N(C(=C(C#N)C3=NC4=CC=CC=C4N3)S2)C5=CC=CC=C5","IXZLDDJQVVKYJU-HMCNCKIHSA-N",5467401,NA,"PDBC45923","652041","Present",NA,NA
+"45924","NSC652042",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652042",NA,"CC1=CC=C(C=C1)N=NC2C(=O)N(C(=C(C#N)C3=NC4=CC=CC=C4N3)S2)C5=CC=CC=C5","NJOLMMXUKOZVGE-CIKSRDOSSA-N",5467402,NA,"PDBC45924","652042","Present",NA,NA
+"45925","NSC652043",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652043",NA,"C1=CC=C(C=C1)N2C(=O)C(SC2=C(C#N)C3=NC4=CC=CC=C4N3)N=NC5=CC=C(C=C5)Cl","YJVNPNMWADWFFI-GVYKFJLISA-N",5467403,NA,"PDBC45925","652043","Present",NA,NA
+"45926","NSC652044",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652044",NA,"C1=CC=C(C=C1)N2C3=C(C(=O)NC=N3)SC2=C(C#N)C4=NC5=CC=CC=C5N4","BFWKWJQXYDTOLH-MOSHPQCFSA-N",135499332,NA,"PDBC45926","652044","Present",NA,NA
+"45927","NSC652092",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652092",NA,"CC(CCCC(C)C1C(C(C2C1(CCC3C2CC(C4(C3(CCC(C4)O)C)O)O)C)O)O)CO","CLNZRUHMYVMUAU-PAXAJSPRSA-N",374387,NA,"PDBC45927","652092","Present",NA,NA
+"45928","NSC652093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652093",NA,"CC(C)C(CCC(C)C1C(C(C2C1(CCC3C2(CC(C4(C3(CCC(C4)O)C)O)O)O)C)O)O)CCOS(=O)(=O)O.[Na+]","BWGOGOQOVXRNGK-OHGDEJIRSA-N",54608080,NA,"PDBC45928","652093","Present",NA,NA
+"45929","NSC652143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652143",NA,"CC(C)OP(=O)(C(=NN)NNC1=CC=C(C=C1)[N+](=O)[O-])OC(C)C","CSDKZEIMPMZSBZ-UHFFFAOYSA-N",5465534,NA,"PDBC45929","652143","Present",NA,NA
+"45930","NSC652159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652159",NA,"COC1=C(C=C2C3C(CN3CCC2=C1)COC(=O)NC4=CC=CC=C4)OC","KXDJOUNIDKLAMT-YQYDADCPSA-N",374448,NA,"PDBC45930","652159","Present",NA,NA
+"45931","NSC652170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652170",NA,"COC1=CC=C(C=C1)CN2CCCC=CCC(C2=O)(Cl)Cl","ADBRZPZCJJOCNX-DUXPYHPUSA-N",5467412,NA,"PDBC45931","652170","Present",NA,NA
+"45932","NSC652181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652181",NA,"CC1=NN(C(=O)C1=CC2=CC=CO2)C(=O)C3=CC=CC=C3O","IYHBAPMFSNXVAJ-UKTHLTGXSA-N",5467420,NA,"PDBC45932","652181","Present",NA,NA
+"45933","NSC652187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652187",NA,"CC1=NN(C(=O)C1=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)Cl","PHGBHGYNMWDPPU-MHWRWJLKSA-N",5467425,NA,"PDBC45933","652187","Present",NA,NA
+"45934","NSC652190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652190",NA,"CC1=NN(C(=O)C1=CC2=CC=CO2)C(=O)C3=CC=C(C=C3)Cl","KCGQXFWBLOSCRZ-NTEUORMPSA-N",5467428,NA,"PDBC45934","652190","Present",NA,NA
+"45935","NSC652280",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652280",NA,"CC1(CC2=C(C(=NC)CC3N2CCC4=CC(=C(C=C34)OC)OC)C(=O)C1)C.Cl","KYGHKTCKIVRBEG-UHFFFAOYSA-N",374529,NA,"PDBC45935","652280","Present",NA,NA
+"45936","NSC652537",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652537",NA,"CCC1(C(=O)[N-]C(=O)[N-]C1=O)CC.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au+].[Au+]","OONBKPYFHWRWIX-UHFFFAOYSA-N",6331141,NA,"PDBC45936","652537","Present",NA,NA
+"45937","NSC652539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652539",NA,"CC1=NN(C(=O)[CH-]1)C2=CC=CC=C2.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)[PH+](C2=CC=CC=C2)C3=CC=CC=C3.[Au].[Au+]","SXANDKBEKQKJQA-UHFFFAOYSA-P",6331142,NA,"PDBC45937","652539","Present",NA,NA
+"45938","NSC652550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652550",NA,"CC(C1=CC=CC=C1)N2C3CC(C2C(=O)OC)C=C3","PWUWUKQPSOGOPL-WXPVAWKNSA-N",6712026,NA,"PDBC45938","652550","Present",NA,NA
+"45939","NSC652566",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652566",NA,"CC(C)N1CCC2(CC1)C3=CC=CN3C4=C(NN2)N=CC=C4.Cl","DDMPGMZZUZBVTB-UHFFFAOYSA-N",374597,NA,"PDBC45939","652566","Present",NA,NA
+"45940","NSC652567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652567",NA,"C1CSCCC12C3=CC=CN3C4=C(NN2)N=CC=C4.Br","LHERYRVRKAUSHU-UHFFFAOYSA-N",374599,NA,"PDBC45940","652567","Present",NA,NA
+"45941","NSC652568",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652568",NA,"C1CCC2(CC1)C3=CC=CN3C4=C(NN2)N=CC=C4.Br","BSWPDAJQRKEFFP-UHFFFAOYSA-N",374601,NA,"PDBC45941","652568","Present",NA,NA
+"45942","NSC652581",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652581",NA,"C1CN=C(N1)NN=CC2=C(C=CC=N2)OCCCCCC(=O)O.Br","GUHQMCFGKBEVBH-YLFUTEQJSA-N",9555909,NA,"PDBC45942","652581","Present",NA,NA
+"45943","NSC652582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652582",NA,"C1CN=C(N1)NN=CCOC2=CN=CC=C2.Br","LWBAEDVCHPOGEA-JSSTZBRYSA-N",9555911,NA,"PDBC45943","652582","Present",NA,NA
+"45944","NSC652583",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652583",NA,"CC(=NNC1=NCCN1)C=CC2=C(C=CC=N2)OCCCCCC(=O)O.Br","NZUYFBGVIAQLOP-FKFQJIQHSA-N",9571786,NA,"PDBC45944","652583","Present",NA,NA
+"45945","NSC652584",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652584",NA,"CCCCCC(=NNC1=NCCN1)C=CC2=C(C=CC=N2)OCCCCCC(=O)O.Br","JPZRCDINAIEIKX-GOYNKABISA-N",9571787,NA,"PDBC45945","652584","Present",NA,NA
+"45946","NSC652586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652586",NA,"C1=CSC(=C1)C2=NC3=C(N2)C(=NS(=O)(=O)N3)N","OAXGSGHFDQNZQI-UHFFFAOYSA-N",135408996,NA,"PDBC45946","652586","Present",NA,NA
+"45947","NSC652587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652587",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C(=NS(=O)(=O)N3)N)Cl","MJEOKSJNWRQKDK-UHFFFAOYSA-N",135408997,NA,"PDBC45947","652587","Present",NA,NA
+"45948","NSC652588",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652588",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C(=NS(=O)(=O)N3)N)[N+](=O)[O-]","RTWANQMMWSAULE-UHFFFAOYSA-N",135408998,NA,"PDBC45948","652588","Present",NA,NA
+"45949","NSC652593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652593",NA,"C1CCC=C2CCC(C2C3(CC1)OCCO3)SC4=CC=CC=C4","IFZRGLLWHBHOTE-WNPVJCIISA-N",11970007,NA,"PDBC45949","652593","Present",NA,NA
+"45950","NSC652596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652596",NA,"CC(C)(C)C1=CC(=C2C(=O)C3=CC=CC=C3C(=O)C2=O)C=C(C1=O)C(C)(C)C","QDWPQDNQZPSIDU-UHFFFAOYSA-N",72499,NA,"PDBC45950","652596","Present",NA,NA
+"45951","NSC652604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652604",NA,"C1=CC(=CC=C1CC2=CC=C(C=C2)N=C(C=NO)NO)N=C(C=NO)NO","YJWAMMSLAHYIDQ-BJPQZVBLSA-N",135499345,NA,"PDBC45951","652604","Present",NA,NA
+"45952","NSC652605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652605",NA,"C1=CC=C(C=C1)C(=NO)C(=NO)NC2=CC=C(C=C2)C3=CC=C(C=C3)NC(=NO)C(=NO)C4=CC=CC=C4","UQUJZHCFKUKAEY-WVMMTVHUSA-N",135499346,NA,"PDBC45952","652605","Present",NA,NA
+"45953","NSC652607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652607",NA,"CON=C(C1=CSC(=N1)N)C(=O)NC2=C[N+](=CS2)CC(=O)[O-]","GHMJEVHRLWYNFS-OQLLNIDSSA-N",5465554,NA,"PDBC45953","652607","Present",NA,NA
+"45954","NSC652732",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652732",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NC3=CC=CC=C3)C(=C1C4=C(C5=C(C=C4C)C(=C(C(=C5C=NC6=CC=CC=C6)O)O)C(C)C)O)O","KTLRJQOAHAQTEQ-UHFFFAOYSA-N",247363,NA,"PDBC45954","652732","Present",NA,NA
+"45955","NSC652884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652884",NA,"CC1=CC=C(C2=C(C3=CC=CC=C3N=C12)NCCC[N+](C)(C)[O-])[N+](=O)[O-].Cl","GOTMWZXOKMBXFE-UHFFFAOYSA-N",374699,NA,"PDBC45955","652884","Present",NA,NA
+"45956","NSC652886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652886",NA,"CN(C)CCCNC1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)[N+](=O)[O-].Cl","MEVZJLUKTABENS-UHFFFAOYSA-N",374702,NA,"PDBC45956","652886","Present",NA,NA
+"45957","NSC652888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652888",NA,"CC1=C2C(=CC=C1)C(=C3C(=CC=C(C3=N2)C)[N+](=O)[O-])NCCCN(C)C.Cl","MJMCRKZYGYOTHI-UHFFFAOYSA-N",374705,NA,"PDBC45957","652888","Present",NA,NA
+"45958","NSC652896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652896",NA,"CCC1C[N+]23CCC1CC2C4=C(CC3)C5=CC=CC=C5N4.CC1=CC=C(C=C1)S(=O)(=O)[O-]","HLXYMXITPCQJHQ-UHFFFAOYSA-M",24202422,NA,"PDBC45958","652896","Present",NA,NA
+"45959","NSC652901",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652901",NA,"CCOC(=O)C12CCC(=O)C=C1C(C(=O)CC2)C","OQOBRHHHMIBADZ-UCWRFOARSA-N",374714,NA,"PDBC45959","652901","Present",NA,NA
+"45960","NSC652902",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652902",NA,"CN1C2CCC1C(=CC3=C4C(=CC=C3)OCO4)C(=O)C2=CC5=C6C(=CC=C5)OCO6","VVLVAECBUVDNRV-APGQMXJTSA-N",5467478,NA,"PDBC45960","652902","Present",NA,NA
+"45961","NSC652930",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652930",NA,"C1=CC=C(C=C1)C(=NNC2=NSC3=CC=CC=C32)CCC(=O)O","XNMFRWLTXTZHEY-NBVRZTHBSA-N",5465556,NA,"PDBC45961","652930","Present",NA,NA
+"45962","NSC652931",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652931",NA,"C1=CC=C2C(=C1)C(=NS2)NN=C(CCC(=O)O)C3=CC=C(C=C3)Cl","KMUUIGMQADWYKE-XMHGGMMESA-N",5465557,NA,"PDBC45962","652931","Present",NA,NA
+"45963","NSC652936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652936",NA,"C1CCOC(C1)OC2CC(OC2CO)N3C=NC4=C(N=CN=C43)N","HZNPDLXMJUAZHB-UHFFFAOYSA-N",374744,NA,"PDBC45963","652936","Present",NA,NA
+"45964","NSC652938",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652938",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OC3CCCCO3","OXJNHJLFDYNDBW-UHFFFAOYSA-N",374746,NA,"PDBC45964","652938","Present",NA,NA
+"45965","NSC652939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652939",NA,"CCOC(C)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)C","YIACVQYMUNRFIY-UHFFFAOYSA-N",374747,NA,"PDBC45965","652939","Present",NA,NA
+"45966","NSC652940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652940",NA,"CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC3CC(OC3CO)N4C=NC5=C(N=CN=C54)N","VCSVHBXJLMRITK-UHFFFAOYSA-N",374748,NA,"PDBC45966","652940","Present",NA,NA
+"45967","NSC652997",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652997",NA,"C1=CC=C2C(=C1)C=CC=C2C(=C3C4=CC=CC=C4C(=O)O3)Br","KESOYHRLGZYZEA-ZCXUNETKSA-N",5467481,NA,"PDBC45967","652997","Present",NA,NA
+"45968","NSC653383",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653383",NA,"CCC=CCC=CCC(C(CCCCCC=C)O)O","PFODYVTXEFDXQP-DPTWWRMPSA-N",5467489,NA,"PDBC45968","653383","Present",NA,NA
+"45969","NSC653420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653420",NA,"CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=C8N6CCS8)F","VMUMMBTZBYJYLP-UPPALDQPSA-N",374884,NA,"PDBC45969","653420","Present",NA,NA
+"45970","NSC653421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653421",NA,"CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=CC=CC7=C8N6C9=CC=CC=C9S8)F","GREXHPPYDDSVDS-XNJUCIMSSA-N",374885,NA,"PDBC45970","653421","Present",NA,NA
+"45971","NSC653453",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653453",NA,"CC(C)C(=NNC(=O)N)C=CC1=CC=C(C=C1)Br","DGUKFSCIZOPNRJ-ZXURELPXSA-N",5906828,NA,"PDBC45971","653453","Present",NA,NA
+"45972","NSC653454",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653454",NA,"CC(C)C(=NNC(=O)NN=C(C=CC1=CC=CC=C1)C(C)C)C=CC2=CC=CC=C2","JXISIGLCWYMVKD-LNTNDECRSA-N",6477378,NA,"PDBC45972","653454","Present",NA,NA
+"45973","NSC653479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653479",NA,"COC1CC(OC1CO)N2C=NC3=C(N=CN=C32)N","FFTJWXISNILIOL-UHFFFAOYSA-N",374904,NA,"PDBC45973","653479","Present",NA,NA
+"45974","NSC653616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653616",NA,NA,NA,NA,NA,"PDBC45974","653616","Present",NA,NA
+"45975","NSC653618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653618",NA,NA,NA,NA,NA,"PDBC45975","653618","Present",NA,NA
+"45976","NSC653620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653620",NA,"CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)N(C)C(CC(=O)NC(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)C(=O)N(C)C(C)C(=O)O)NC(=O)OC(C)(C)C","BRJUVVRSMHREFC-NFWYQQCQSA-N",6712039,NA,"PDBC45976","653620","Present",NA,NA
+"45977","NSC653621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653621",NA,"CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)N(C)C(CC(=O)N)C(=O)N(C)C(C)C(=O)OC)NC(=O)OC(C)(C)C","NJNRYSQRFWLLIL-DXDWKNALSA-N",6712040,NA,"PDBC45977","653621","Present",NA,NA
+"45978","NSC653622",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653622",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(CC2=CC=CC=C2)C(=O)N(C)C(CC(=O)N)C(=O)N(C)C(C)C(=O)OC)NC(=O)OC(C)(C)C","GZAFXDLXRFRASN-BVCSWVHPSA-N",6712041,NA,"PDBC45978","653622","Present",NA,NA
+"45979","NSC653623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653623",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(CC(=O)N)C(=O)N(C)C(C)C(=O)OC)NC(=O)OC(C)(C)C","FKLOGTRCMYNILU-NQRLMHEGSA-N",6712042,NA,"PDBC45979","653623","Present",NA,NA
+"45980","NSC653625",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653625",NA,"CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)N(C)C(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N2CCCC2C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C","YPGFSHLFWFQPBF-GJOOVXBSSA-N",6712044,NA,"PDBC45980","653625","Present",NA,NA
+"45981","NSC653811",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653811",NA,"C1=CC=C(C=C1)C(OCCN2C=NC3=C(N=C(N=C32)N)N)P(=O)(O)O.[Na+]","LKPWTUANPPRKRZ-UHFFFAOYSA-N",54602009,NA,"PDBC45981","653811","Present",NA,NA
+"45982","NSC653866",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653866",NA,"C1=CC=C(C=C1)C2=CC(=[O+]C3=C2C4=CC=CC=C4C3=CC=CC5=C6C(=C(C=C(O6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C95)C1=CC=CC=C1.[O-]Cl(=O)(=O)=O","DMEKJRHCKPHALM-UHFFFAOYSA-M",24202423,NA,"PDBC45982","653866","Present",NA,NA
+"45983","NSC653921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653921",NA,"COC1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC=CC=C3)S2)NC(=O)CC4=CC=CC=C4","ORVYVHFVRCCFLN-JWGURIENSA-N",5467493,NA,"PDBC45983","653921","Present",NA,NA
+"45984","NSC653942",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653942",NA,"CC(=C)C12CC3CC(C1(C)O)C(=NO)C(C2)C3=NO","DUQBBGYIGPVWES-HSUCWVSCSA-N",11970013,NA,"PDBC45984","653942","Present",NA,NA
+"45985","NSC653949",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653949",NA,NA,NA,NA,NA,"PDBC45985","653949","Present",NA,NA
+"45986","NSC654101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654101",NA,"CCOC1C2C3C(CCCC3(C4=C(C(=C(C=C14)C(C)C)O)O)C(=O)O2)(C)C","HEUIVINVBVPWCU-MUJSTJFPSA-N",375088,NA,"PDBC45986","654101","Present",NA,NA
+"45987","NSC654205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654205",NA,"CC1(OC2C(N(C(=O)C2O1)C(=O)C3=CC=C(C=C3)OC)COC)C","XGGBKJQXPPFKJW-MGPQQGTHSA-N",6712054,NA,"PDBC45987","654205","Present",NA,NA
+"45988","NSC654296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654296",NA,"COC1=CC=C(C=C1)CC(C(=O)N2CC(CC(C2)N3C=CC(=O)NC3=O)CO)N","ZOSWGDZTYCGMNK-VYDXJSESSA-N",6712056,NA,"PDBC45988","654296","Present",NA,NA
+"45989","NSC654297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654297",NA,"COC1=CC=C(C=C1)CC(C(=O)N2CC(CC(C2)N3C=CC(=O)NC3=O)CO)N","ZOSWGDZTYCGMNK-UXLLHSPISA-N",6712057,NA,"PDBC45989","654297","Present",NA,NA
+"45990","NSC654298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654298",NA,"CN(C)C1=NC=NC2=C1N=CN2C3CC(CN(C3)C(=O)C(CC4=CC=C(C=C4)OC)N)CO","PYQCJOXAAHXMRG-AOIWGVFYSA-N",6712058,NA,"PDBC45990","654298","Present",NA,NA
+"45991","NSC654299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654299",NA,"CN(C)C1=NC=NC2=C1N=CN2C3CC(CN(C3)C(=O)C(CC4=CC=C(C=C4)OC)N)CO","PYQCJOXAAHXMRG-SCTDSRPQSA-N",6712059,NA,"PDBC45991","654299","Present",NA,NA
+"45992","NSC654375",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654375",NA,NA,NA,NA,NA,"PDBC45992","654375","Present",NA,NA
+"45993","NSC654377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654377",NA,NA,NA,NA,NA,"PDBC45993","654377","Present",NA,NA
+"45994","NSC654378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654378",NA,NA,NA,NA,NA,"PDBC45994","654378","Present",NA,NA
+"45995","NSC654639",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654639",NA,"CC1(OC2C(OC(C2O1)N=C(NC#N)OC3=CC=CC=C3)CO)C","WXJWRTWRVUDVQQ-UHFFFAOYSA-N",6477379,NA,"PDBC45995","654639","Present",NA,NA
+"45996","NSC654734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654734",NA,"CC(C)NCCNC(=O)C1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl.Cl","ICSVNWDADVFTBP-UHFFFAOYSA-N",375260,NA,"PDBC45996","654734","Present",NA,NA
+"45997","NSC654735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654735",NA,"CN(C)CCNC(=O)C1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl.Cl","JRUGPRJSJSEALG-UHFFFAOYSA-N",375262,NA,"PDBC45997","654735","Present",NA,NA
+"45998","NSC654737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654737",NA,"CCN(CC)CCCNC(=O)C1=CC=CC=C1NC2=C(C=CC=C2Cl)Cl.Cl","IZUKZNFFODGEJL-UHFFFAOYSA-N",375265,NA,"PDBC45998","654737","Present",NA,NA
+"45999","NSC654893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654893",NA,"CC12CCC3C(C1CCC2OC(=O)C45C(O4)CC(=C)C5=O)CCC6=CC(=O)CCC36C","KEHKYFDJRGIKNE-HHSZLIGZSA-N",6712072,NA,"PDBC45999","654893","Present",NA,NA
+"46000","NSC654895",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654895",NA,"CC1=NC(=CC2=CC=C(C=C2)N)C(=O)N1NC3=NN=C(C4=CC=CC=C43)NN5C(=NC(=CC6=CC=C(C=C6)N)C5=O)C","MXPZVIGWSXXLJL-YXHOTNNGSA-N",6412823,NA,"PDBC46000","654895","Present",NA,NA
+"46001","NSC654896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654896",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)NC4=NN=C(C5=CC=CC=C54)NN6C(=NC(=CC7=CC=C(C=C7)OC)C6=O)C8=CC=CC=C8","VMHVVCDZFMOAQS-SDURLSCFSA-N",6412768,NA,"PDBC46001","654896","Present",NA,NA
+"46002","NSC654897",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654897",NA,"CC1=NC(=CC2=C(C=C(C=C2OC)OC)OC)C(=O)N1NC3=NN=C(C4=CC=CC=C43)NN5C(=NC(=CC6=C(C=C(C=C6OC)OC)OC)C5=O)C","BVAHCKSTLIRVSP-HJTNQMAYSA-N",6416023,NA,"PDBC46002","654897","Present",NA,NA
+"46003","NSC654948",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654948",NA,"CC1=CC(=C(C(=C1)C)C2=NOC(C2C3(OC(=NO3)C4=C(C=C(C=C4C)C)C)C5=CC=CC=C5)OC)C","ZEGNMCBSSKCCIS-QOXPCENISA-N",6712075,NA,"PDBC46003","654948","Present",NA,NA
+"46004","NSC654950",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654950",NA,"COC(=O)C1C(C12C=CC3=CC=CC=C3C=C2)C(=O)OC","HNWLULKUEBQDRJ-LSLKUGRBSA-N",375336,NA,"PDBC46004","654950","Present",NA,NA
+"46005","NSC654951",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654951",NA,"CC1(OC2C(C(C3C(C2O1)OC(=N3)C(Cl)(Cl)Cl)I)N4C(=O)C5=CC=CC=C5C4=O)C","XNCOFAJKNDHSCI-LRFIKVMTSA-N",375337,NA,"PDBC46005","654951","Present",NA,NA
+"46006","NSC654952",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654952",NA,"CC(=O)OC1C(C(C(C(C1OC)OC)N2C(=O)C3=CC=CC=C3C2=O)I)NC(=O)C(Cl)(Cl)Cl","PZDADDTWGGIXHA-ZIXXKZBOSA-N",375338,NA,"PDBC46006","654952","Present",NA,NA
+"46007","NSC655063",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655063",NA,"C1CC2C(SC3=CC=CC=C3C(=O)N2C1)O","DGYJLILSSACKKO-JOYOIKCWSA-N",375391,NA,"PDBC46007","655063","Present",NA,NA
+"46008","NSC655078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655078",NA,"CCOC(CC(C1COC(=S)S1)O[Si](C)(C)C(C)(C)C)OCC","OSQXNCWSEMYIRN-QWHCGFSZSA-N",375404,NA,"PDBC46008","655078","Present",NA,NA
+"46009","NSC655100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655100",NA,"CC1(C(NC(S1)C2=CC=CC=C2C(=O)O)CC(=O)O)C","KNQNIFRMJRSVTK-ZYHUDNBSSA-N",375411,NA,"PDBC46009","655100","Present",NA,NA
+"46010","NSC655101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655101",NA,"CCCC(=O)NC(CC1=CC(=C(C(=C1)I)O)I)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCN=C(N)N)N.C(=O)(C(F)(F)F)O","PWSKSGBEPGLTFA-UKOKCHKQSA-N",375412,NA,"PDBC46010","655101","Present",NA,NA
+"46011","NSC655102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655102",NA,"CCCCCCCCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCNCCCCNCCCNC(=O)C(CCCN=C(N)N)N.C(=O)(C(F)(F)F)O","SSOBMZWYNDAKPM-UEMAAXKQSA-N",375414,NA,"PDBC46011","655102","Present",NA,NA
+"46012","NSC655103",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655103",NA,"CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC5=NC(=NC(=N5)C6=C7C=C8C=CC=CC8=CC7=C9N6CCS9)F","MUXHCLFGGTXKHV-JSPNTKRJSA-N",6712077,NA,"PDBC46012","655103","Present",NA,NA
+"46013","NSC655104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655104",NA,"CC1=NC2=CC3=CC=CC=C3C=C2N1C4=NC(=NC(=N4)F)OC5=CC6=C(C=C5)C7CCC8(C(C7CC6)CCC8(C#C)O)C","WIRGWEFZSGNXMT-FFXZDGJDSA-N",6712078,NA,"PDBC46013","655104","Present",NA,NA
+"46014","NSC655144",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655144",NA,"CC1=CC=C(C=C1)C=NNC2C3=C(C=CC(=C3)Cl)NC4=NC(=O)NC(=C24)C","SUFCOEMULBSBMY-YVNNLAQVSA-N",6089926,NA,"PDBC46014","655144","Present",NA,NA
+"46015","NSC655267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655267",NA,"CC(=O)OC12CCCCC1C3(C2CCCCC3O)O","CUOHVBLGAPDKIE-PJQWEWFWSA-N",375485,NA,"PDBC46015","655267","Present",NA,NA
+"46016","NSC655268",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655268",NA,"CC(=O)OC12CCCCC1C3(C2CCCCC3O)O","CUOHVBLGAPDKIE-IHXHZNKUSA-N",375486,NA,"PDBC46016","655268","Present",NA,NA
+"46017","NSC655269",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655269",NA,"CC(=O)OC12CCCCCC1C3(C2CCCCC3O)O","KLSOYLIJHFMGMW-HTASQGPOSA-N",375487,NA,"PDBC46017","655269","Present",NA,NA
+"46018","NSC655270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655270",NA,"CC(=O)OC12CCCCCC1C3(C2CCCCC3O)O","KLSOYLIJHFMGMW-IBHBGHMQSA-N",375488,NA,"PDBC46018","655270","Present",NA,NA
+"46019","NSC655273",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655273",NA,"CC(=O)OC12CCCCCCC1C3(C2CCCC3O)O","YDWDAOOPPQNRKY-HTASQGPOSA-N",375491,NA,"PDBC46019","655273","Present",NA,NA
+"46020","NSC655274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655274",NA,"CC(=O)OC12CCCCCC1C3(C2CCCC3O)O","PBYPDYNTWRSEBJ-VNECMYLUSA-N",375492,NA,"PDBC46020","655274","Present",NA,NA
+"46021","NSC655275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655275",NA,"C1CCC=C2CCC(C2C3(CC1)OCCO3)SC4=CC=CC=C4","IFZRGLLWHBHOTE-DCRDRLAGSA-N",5467538,NA,"PDBC46021","655275","Present",NA,NA
+"46022","NSC655276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655276",NA,"C1CCC=C2CCC(C2C(=O)CC1)SC3=CC=CC=C3","KWXGJKUBWQUIKN-VECLJIIPSA-N",5467539,NA,"PDBC46022","655276","Present",NA,NA
+"46023","NSC655278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655278",NA,"CC(=O)OC12CCCC1C3(C2CCCC3O)O","GKYOQJWWFQBXEP-SZQBSXBZSA-N",375496,NA,"PDBC46023","655278","Present",NA,NA
+"46024","NSC655279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655279",NA,"CC(=O)OC12CCCC1C3(C2CCCC3O)O","GKYOQJWWFQBXEP-RFMXUXEOSA-N",375497,NA,"PDBC46024","655279","Present",NA,NA
+"46025","NSC655284",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655284",NA,"C1CCC(C2(C(C1)C3=CC=CC=C32)O)N4CCOCC4","XNHVAOFTRMYYNB-OFLPRAFFSA-N",375502,NA,"PDBC46025","655284","Present",NA,NA
+"46026","NSC655287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655287",NA,"C1CC2C3=CC=CC=C3C2(C(C1)N4CCOCC4)O","DRXFQSHRXGDRHM-UYSNPLJNSA-N",375505,NA,"PDBC46026","655287","Present",NA,NA
+"46027","NSC655291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655291",NA,"C1CCC2(C3=CC=CC=C3C2(CC1)O)N4CCOCC4.Cl","FDVPZKWCQANJIM-UHFFFAOYSA-N",375509,NA,"PDBC46027","655291","Present",NA,NA
+"46028","NSC655294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655294",NA,"COC1=CC=CC2=C1C3C(CCCCC2)NC(=O)O3","OLCJMJFXTZJASG-IAXJKZSUSA-N",375513,NA,"PDBC46028","655294","Present",NA,NA
+"46029","NSC655295",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655295",NA,"COC1=CC(=CC(=C1)CCCC(COC2=CC=CC3=C2C4(C3CCCCC4)O)O)OC.C(=O)(C(=O)O)O","NTLYDIQHAKFDBT-UHFFFAOYSA-N",375514,NA,"PDBC46029","655295","Present",NA,NA
+"46030","NSC655296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655296",NA,"CC(C)NC1CCCCC2C1(C3=C2C=C(C=C3)F)O.Cl","BUDHKGBOEFDDIF-RLDFLAGFSA-N",375516,NA,"PDBC46030","655296","Present",NA,NA
+"46031","NSC655313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655313",NA,"COC1=CC=CC2=C1C3(C2CCCC3O)O","ZTZRASRNJZCADA-QEIKUCIBSA-N",375534,NA,"PDBC46031","655313","Present",NA,NA
+"46032","NSC655331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655331",NA,"CC1C=CC=CC=CC(=O)NC2=C(C(=O)C3=C(C2=O)C=C(C(=C3C(=O)C(=CC(C(C(C=CC(CC=C(C(=O)CC1O)C)O)C)O)C)C)O)C)N","KHHDHRZMICFOLO-LABPKOIQSA-N",54608946,NA,"PDBC46032","655331","Present",NA,NA
+"46033","NSC655338",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655338",NA,"C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC=CC=C3)SC2=NC4=CC=CC=C4","RYNTVPPOIBSTDL-CHLWQFSPSA-N",6375308,NA,"PDBC46033","655338","Present",NA,NA
+"46034","NSC655339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655339",NA,"C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC=CC=C3O)SC2=NC4=CC=CC=C4","MAWBTFDBXRIMEC-CHLWQFSPSA-N",6062284,NA,"PDBC46034","655339","Present",NA,NA
+"46035","NSC655340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655340",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)NC(=O)CC4=CC=CC=C4","SVJPULAUVKWIBG-SBECIKHMSA-N",20835362,NA,"PDBC46035","655340","Present",NA,NA
+"46036","NSC655341",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655341",NA,"C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC=C(C=C3)O)SC2=NC4=CC=CC=C4","YVTMKYJETDMEKV-QGJBXVFPSA-N",6370958,NA,"PDBC46036","655341","Present",NA,NA
+"46037","NSC655342",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655342",NA,"C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])SC2=NC4=CC=CC=C4","KBMDSGSRUDPRRF-QGJBXVFPSA-N",6376042,NA,"PDBC46037","655342","Present",NA,NA
+"46038","NSC655343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655343",NA,"C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC(=CC=C3)[N+](=O)[O-])SC2=NC4=CC=CC=C4","USTUFFQDAOTXOH-QGJBXVFPSA-N",5923505,NA,"PDBC46038","655343","Present",NA,NA
+"46039","NSC655344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655344",NA,"C1=CC=C(C=C1)CC(=O)NN2C(=O)C(=CC3=CC(=CC=C3)O)SC2=NC4=CC=CC=C4","RAVWGTMMHGUMOM-QGJBXVFPSA-N",6106185,NA,"PDBC46039","655344","Present",NA,NA
+"46040","NSC655345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655345",NA,"COC1=CC(=C(C=C1)C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)NC(=O)CC4=CC=CC=C4)OC","LZQPOEGCTOUTLR-GQUXDKRHSA-N",20835340,NA,"PDBC46040","655345","Present",NA,NA
+"46041","NSC655362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655362",NA,"CC1=C2N(C3C(O2)C(C(O3)CO)N=[N+]=[N-])C(=O)NC1=O","YJPCPIDLXRUUCM-UHFFFAOYSA-N",495450,NA,"PDBC46041","655362","Present",NA,NA
+"46042","NSC655364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655364",NA,"CC12C(CC(=CC1=C(C(=N)N2C3=CC(=C(C=C3)Cl)Cl)C#N)O)SCCS(=O)(=O)O.[Na+]","KLRLBABIONUNEE-UHFFFAOYSA-N",135499363,NA,"PDBC46042","655364","Present",NA,NA
+"46043","NSC655365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655365",NA,"CN(C(CC=C)P(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2)C(=O)C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4","JPYACDVCLRDPPA-CYZZXXEPSA-N",375577,NA,"PDBC46043","655365","Present",NA,NA
+"46044","NSC655366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655366",NA,"CC(C)C=C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CCSC)NC=O","BBZRVOZGTAYAPS-ZSCLYBAYSA-N",5467542,NA,"PDBC46044","655366","Present",NA,NA
+"46045","NSC655393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655393",NA,"C1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C3=NC4=CC=CC=C4N3)S2)C5=CC=CC=C5","YJHAVIVOWQSUDA-MCIRJRDLSA-N",5467543,NA,"PDBC46045","655393","Present",NA,NA
+"46046","NSC655394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655394",NA,"COC1=CC=C(C=C1)C=C2C(=O)N(C(=C(C#N)C3=NC4=CC=CC=C4N3)S2)C5=CC=CC=C5","VGPJRTKXRYICFW-UTTVZAIASA-N",5467544,NA,"PDBC46046","655394","Present",NA,NA
+"46047","NSC655395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655395",NA,"C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(C=C3)Cl)SC2=C(C#N)C4=NC5=CC=CC=C5N4","WOXMRFOWNINQDV-WAFZPUJNSA-N",5467545,NA,"PDBC46047","655395","Present",NA,NA
+"46048","NSC655397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655397",NA,"CC1=CC=C(C=C1)N2C(=O)CSC2=C(C#N)C3=NC4=CC=CC=C4N3","WVCBLKSMRVLLPZ-XMHGGMMESA-N",5467546,NA,"PDBC46048","655397","Present",NA,NA
+"46049","NSC655403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655403",NA,"COC1=C(C=C(C=C1)C=C(C2=CC(=C(C=C2)OC)OC)Cl)OC","KLMLYOQAMSHIKT-ZROIWOOFSA-N",5467548,NA,"PDBC46049","655403","Present",NA,NA
+"46050","NSC655413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655413",NA,"COC1=CC=C(C=C1)C(=CN2C=CN=C2)C(=O)C3=CC(=C(C=C3)OC)OC","IDDQEDVSBUUGDY-AQTBWJFISA-N",6156841,NA,"PDBC46050","655413","Present",NA,NA
+"46051","NSC655425",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655425",NA,"C1=C(N=C(S1)CCN)C2=NC(=C(S2)Cl)C(=O)NCCCNCCCCN.Cl","YJOWNSPPQCMJOP-UHFFFAOYSA-N",375601,NA,"PDBC46051","655425","Present",NA,NA
+"46052","NSC655426",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655426",NA,"C(CCNCCCNC(=O)C1=C(SC(=N1)C2=C(SC(=N2)CCN)Cl)Cl)CN.Cl","CWKOVBFCPNCJMP-UHFFFAOYSA-N",375603,NA,"PDBC46052","655426","Present",NA,NA
+"46053","NSC655439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655439",NA,"CCCCCCCCCC1CC(C(N1C(=O)OC(C)(C)C)CC2=CC=CC=C2)O","KULFLGJMCYQKLC-VJBWXMMDSA-N",375617,NA,"PDBC46053","655439","Present",NA,NA
+"46054","NSC655442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655442",NA,"C1C=CC2C1CNC3=C2C=CC4=C3C=CN=C4","UGOQHQVZCSABRN-JQWIXIFHSA-N",375619,NA,"PDBC46054","655442","Present",NA,NA
+"46055","NSC655447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655447",NA,"CN(C(CC1=CC=CC=C1)C(=O)O)C(=O)OCC2=CC(=C(C=C2[N+](=O)[O-])OC)OC","FNJAUMNMJVSACJ-INIZCTEOSA-N",375625,NA,"PDBC46055","655447","Present",NA,NA
+"46056","NSC655450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655450",NA,"CC(C)(C)C(C(=O)O)NC(=O)OCC1=CC(=C(C=C1[N+](=O)[O-])OC)OC","HSZYIVOKRMBMJY-CYBMUJFWSA-N",375628,NA,"PDBC46056","655450","Present",NA,NA
+"46057","NSC655453",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655453",NA,"CC(C)(C)OC(=O)NNC(CC1=CC=CC=C1)C(=O)OC","DFAQAHOCXZREQN-GFCCVEGCSA-N",375631,NA,"PDBC46057","655453","Present",NA,NA
+"46058","NSC655460",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655460",NA,"CC1C(=NO)C2C(C(O1)OC)OC(O2)(C)C","PJOWXLWKPHORPK-WDZFZDKYSA-N",5465581,NA,"PDBC46058","655460","Present",NA,NA
+"46059","NSC655463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655463",NA,"CC1(OCC(O1)C(=N)OCC2=CC=CC=C2)C","PNTSZXLIQXVRDY-LLVKDONJSA-N",375641,NA,"PDBC46059","655463","Present",NA,NA
+"46060","NSC655464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655464",NA,"CC(C(C(=O)O)NC(=O)OC)O[Si](C)(C)C(C)(C)C","KSJUPLOJLHKQFD-GKAPJAKFSA-N",375642,NA,"PDBC46060","655464","Present",NA,NA
+"46061","NSC655465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655465",NA,"CC(C(C(=O)O)NC(=O)OCC(Cl)(Cl)Cl)O[Si](C)(C)C(C)(C)C","HNSXUVGIMHTKHC-GKAPJAKFSA-N",375643,NA,"PDBC46061","655465","Present",NA,NA
+"46062","NSC655466",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655466",NA,"CC(C(C(=O)O)NC(=O)OCC(Cl)(Cl)Cl)OC(C)(C)C","DSNGQFFZCBJQKE-MLWJPKLSSA-N",375644,NA,"PDBC46062","655466","Present",NA,NA
+"46063","NSC655467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655467",NA,"CC(C(C(=O)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)NC(=O)OC(C)(C)C)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C","JJNHXXXGXRHCFL-TVQXPHSOSA-N",375645,NA,"PDBC46063","655467","Present",NA,NA
+"46064","NSC655468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655468",NA,"CC(C(C(=O)O)NC(=O)OC(C)(C)C)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C.C1CCC(CC1)NC2CCCCC2","KNBMLDQTPPKPAZ-ATZNIPBWSA-N",375646,NA,"PDBC46064","655468","Present",NA,NA
+"46065","NSC655469",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655469",NA,"CC(C(C(=O)O)NC(=O)OC(C)(C)C)OC(C)(C)C.C1CCC(CC1)NC2CCCCC2","IYEPGQHEZOQREY-MTFPJWTKSA-N",375648,NA,"PDBC46065","655469","Present",NA,NA
+"46066","NSC655470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655470",NA,"CC(C(C(=O)NC(C1COC(O1)(C)C)OCC2=CC=CC=C2)NC(=O)OC)O[Si](C)(C)C(C)(C)C","YGHQKTHXGQLSFA-OTEZBWDNSA-N",375650,NA,"PDBC46066","655470","Present",NA,NA
+"46067","NSC655473",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655473",NA,"CC(C(C(=O)NCCC1=NC(=CS1)C(=O)NC(CSC)C(=O)NCCCSC)NSC2=CC=CC=C2[N+](=O)[O-])O","ITBIVAJGZQLULJ-XPOCZOTCSA-N",375653,NA,"PDBC46067","655473","Present",NA,NA
+"46068","NSC655474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655474",NA,"CC(C(C(=O)NCCC(=O)NC(CSC)C1=NC(=CS1)C(=O)NCCCSC)NC(=O)OCC(Br)(Br)Br)O","JIWONZPOVYAQKW-TUJLOAKASA-N",375654,NA,"PDBC46068","655474","Present",NA,NA
+"46069","NSC655479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655479",NA,"CSCCCNC(=O)C1=CSC(=N1)C2=CSC(=N2)CCN.Cl","DTGRMAUXFAOMOW-UHFFFAOYSA-N",54608552,NA,"PDBC46069","655479","Present",NA,NA
+"46070","NSC655748",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655748",NA,NA,NA,NA,NA,"PDBC46070","655748","Present",NA,NA
+"46071","NSC655749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655749",NA,NA,NA,NA,NA,"PDBC46071","655749","Present",NA,NA
+"46072","NSC655750",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655750",NA,NA,NA,NA,NA,"PDBC46072","655750","Present",NA,NA
+"46073","NSC655751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655751",NA,NA,NA,NA,NA,"PDBC46073","655751","Present",NA,NA
+"46074","NSC655752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655752",NA,NA,NA,NA,NA,"PDBC46074","655752","Present",NA,NA
+"46075","NSC655753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655753",NA,NA,NA,NA,NA,"PDBC46075","655753","Present",NA,NA
+"46076","NSC655754",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655754",NA,NA,NA,NA,NA,"PDBC46076","655754","Present",NA,NA
+"46077","NSC655755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655755",NA,NA,NA,NA,NA,"PDBC46077","655755","Present",NA,NA
+"46078","NSC655757",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655757",NA,NA,NA,NA,NA,"PDBC46078","655757","Present",NA,NA
+"46079","NSC655758",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655758",NA,NA,NA,NA,NA,"PDBC46079","655758","Present",NA,NA
+"46080","NSC655759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655759",NA,NA,NA,NA,NA,"PDBC46080","655759","Present",NA,NA
+"46081","NSC655894",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655894",NA,"CC(C)(C)C1CCC2C(C1)C3C(C4=C2C5=CC=CC=C5N4C)C(=O)N(C3=O)C6=CC=C(C=C6)OC","XHZLKRDFULDXAK-RYEUDINFSA-N",375747,NA,"PDBC46081","655894","Present",NA,NA
+"46082","NSC655907",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655907",NA,NA,NA,NA,NA,"PDBC46082","655907","Present",NA,NA
+"46083","NSC655938",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655938",NA,"COC1=CCC=C(C1)CC2C3=CC(=C(C=C3CCN2)OC)OC","HULDQPCWZJKPAY-KRWDZBQOSA-N",375781,NA,"PDBC46083","655938","Present",NA,NA
+"46084","NSC655983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC655983",NA,"CC(C)(C)OC(=O)NCCC1=C2C(=CC=C1)C3=CC=CC(=C3O2)CCC(=O)O.[Na+]","CSUNXYIZJPLXLN-UHFFFAOYSA-N",54608188,NA,"PDBC46084","655983","Present",NA,NA
+"46085","NSC656074",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656074",NA,"CC1(OC(C(O1)COP2OCCO2)COP3OCCO3)C","GRZCTUNSZLHSDO-RGURZIINSA-N",375826,NA,"PDBC46085","656074","Present",NA,NA
+"46086","NSC656104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656104",NA,"CC(=O)[O-].C1=CC(=C(C=C1Cl)C=NCCN=CC2=C(C=CC(=C2)Cl)[O-])[O-].[Mn+3]","ZGRRRTZCCSDLDM-UHFFFAOYSA-K",375850,NA,"PDBC46086","656104","Present",NA,NA
+"46087","NSC656105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656105",NA,"CC(=O)[O-].C1=CC(=C(C=C1[N+](=O)[O-])C=NCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-].[Mn+3]","XHZHPUWNTLXASL-UHFFFAOYSA-K",375852,NA,"PDBC46087","656105","Present",NA,NA
+"46088","NSC656106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656106",NA,"CC(=O)[O-].C1=CC=C(C(=C1)C=NCCNCCN=CC2=CC=CC=C2[O-])[O-].[Mn+3]","NLQHZKVUCVBQJG-UHFFFAOYSA-K",375853,NA,"PDBC46088","656106","Present",NA,NA
+"46089","NSC656159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656159",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C=C(N3)C4=CC(=CC=C4)F","DWLFPUBOAWVQJC-UHFFFAOYSA-N",375861,NA,"PDBC46089","656159","Present",NA,NA
+"46090","NSC656252",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656252",NA,"C1=CC=C(C=C1)CC(CSSCC(CC2=CC=CC=C2)N)N.Cl","HCQNDWNOJPRYEJ-UHFFFAOYSA-N",375916,NA,"PDBC46090","656252","Present",NA,NA
+"46091","NSC656278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656278",NA,"CCN1CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)Cl)(C=CC3=CC=C(C=C3)Cl)O.Cl","BSQQFXGSCGDFKK-RMAGTAFCSA-N",5467606,NA,"PDBC46091","656278","Present",NA,NA
+"46092","NSC656281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656281",NA,"CCC(=NN=C(CC)C=CC1=CC=CC=C1)C=CC2=CC=CC=C2","IVCNYXRCPLLZKP-NIBORNSQSA-N",6477384,NA,"PDBC46092","656281","Present",NA,NA
+"46093","NSC656282",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656282",NA,"CC(=NN=C(C)C=CC1=CC=CC=C1)C=CC2=CC=CC=C2","XMYDWVYVIJCLIW-PPJSMFRSSA-N",6477385,NA,"PDBC46093","656282","Present",NA,NA
+"46094","NSC656283",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656283",NA,"CC(C)(CN1CCCCC1)C(=O)CC(C2=CC=C(C=C2)Br)SCCS(=O)(=O)O.[Na+].Cl","OYIYQEDQBGFDBB-UHFFFAOYSA-N",54608189,NA,"PDBC46094","656283","Present",NA,NA
+"46095","NSC656344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656344",NA,"COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC=CC4=CC=CC=C4","FQNBOHULQMVQLY-VMPITWQZSA-N",5872408,NA,"PDBC46095","656344","Present",NA,NA
+"46096","NSC656346",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656346",NA,"C1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(C(O4)CO)O)O)O","XYYXEBVIDYBXFI-UHFFFAOYSA-N",375980,NA,"PDBC46096","656346","Present",NA,NA
+"46097","NSC656355",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656355",NA,"CC1=C2C(=CC=C1)C(C3=C(O2)C=C(C=C3)Cl)NC(=O)CCN4CCOCC4.Cl","JQUHWBKOINGHPM-UHFFFAOYSA-N",375989,NA,"PDBC46097","656355","Present",NA,NA
+"46098","NSC656390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656390",NA,"CC1C2CC(C1(C)C)CC2=NO","HHZVCCHVDIVHOG-LUAWRHEFSA-N",5465597,NA,"PDBC46098","656390","Present",NA,NA
+"46099","NSC656398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656398",NA,"CC1C2CC(C1(C)C)C(C2=O)S(=O)(=O)O.N","XFBDBOGGQOOOCG-UHFFFAOYSA-N",376018,NA,"PDBC46099","656398","Present",NA,NA
+"46100","NSC656401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656401",NA,"CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)O)(CCCC4(C)C(=O)O)C.[Na+]","NRBVELKNCWVTQL-UHFFFAOYSA-N",54601654,NA,"PDBC46100","656401","Present",NA,NA
+"46101","NSC656402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656402",NA,"CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=C(C=C6)CC7=CC=C(C=C7)N8C(=O)C9C1CC2C3(CCCC(C3CCC2(C9C8=O)C=C1C(C)C)(C)C(=O)O)C)(CCCC4(C)C(=O)O)C.[Na+]","GWZHTBAAYSMLCH-UHFFFAOYSA-N",54604805,NA,"PDBC46101","656402","Present",NA,NA
+"46102","NSC656403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656403",NA,"CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=C(C=C6)N7C(=O)C8C9CC1C2(CCCC(C2CCC1(C8C7=O)C=C9C(C)C)(C)C(=O)O)C)(CCCC4(C)C(=O)O)C.[Na+]","ONNADTRGMLJVJT-UHFFFAOYSA-N",54608192,NA,"PDBC46102","656403","Present",NA,NA
+"46103","NSC656404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656404",NA,"CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=CC=C6N7C(=O)C8C9CC1C2(CCCC(C2CCC1(C8C7=O)C=C9C(C)C)(C)C(=O)O)C)(CCCC4(C)C(=O)O)C.[Na+]","LYCQCIRTTVEYEL-UHFFFAOYSA-N",54600932,NA,"PDBC46103","656404","Present",NA,NA
+"46104","NSC656405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656405",NA,"CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC(=CC=C6)N7C(=O)C8C9CC1C2(CCCC(C2CCC1(C8C7=O)C=C9C(C)C)(C)C(=O)O)C)(CCCC4(C)C(=O)O)C.[Na+]","IHCGVUCICZFTBY-UHFFFAOYSA-N",54608193,NA,"PDBC46104","656405","Present",NA,NA
+"46105","NSC656406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656406",NA,"CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)CCCCCCN6C(=O)C7C8CC9C1(CCCC(C1CCC9(C7C6=O)C=C8C(C)C)(C)C(=O)O)C)(CCCC4(C)C(=O)O)C.[Na+]","CKMCRMZYSNDBHC-UHFFFAOYSA-N",54608731,NA,"PDBC46105","656406","Present",NA,NA
+"46106","NSC656575",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656575",NA,"CC(C)C1=CC23CCC4C(C2CC1C5C3C(=O)N(C5=O)C6=CC=CC=C6)(CCCC4(C)C(=O)O)C.[Na+]","FNJXLEYPTSOFQL-UHFFFAOYSA-N",54608194,NA,"PDBC46106","656575","Present",NA,NA
+"46107","NSC656595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656595",NA,"CC1(OCC(O1)C2CC23SCCCS3)C","GNRXWUHNGSCKQW-VEDVMXKPSA-N",376111,NA,"PDBC46107","656595","Present",NA,NA
+"46108","NSC656597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656597",NA,"C1CCCCC2CC(CCCC1)CC3(C2)CC(=O)N3","PXJIONNUHXKHRR-FKEKPDDDSA-N",376113,NA,"PDBC46108","656597","Present",NA,NA
+"46109","NSC656705",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656705",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)NCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O","IDOUQYDGAZINCU-UHFFFAOYSA-N",376171,NA,"PDBC46109","656705","Present",NA,NA
+"46110","NSC656707",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656707",NA,"COC1=CC=C(C=C1)C2CC(=O)NCCCCN2","ZTAZAPGMMRFRKU-CYBMUJFWSA-N",376173,NA,"PDBC46110","656707","Present",NA,NA
+"46111","NSC656708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656708",NA,"COC1=CC=C(C=C1)C2CC(=O)N3CCCC3N2","PJVUQNZVWPWOBP-PZORYLMUSA-N",376174,NA,"PDBC46111","656708","Present",NA,NA
+"46112","NSC656709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656709",NA,"COC1=CC=C(C=C1)C2CC(=O)NCCCCNCCCN2","LARKNSCWLKPSFH-INIZCTEOSA-N",376175,NA,"PDBC46112","656709","Present",NA,NA
+"46113","NSC656711",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656711",NA,"CCN(CC)CC1=CC(=CC(=C1O)CN(CC)CC)NC2=C3C(=NC4=CC=CC=C42)C5=CC=CC=C5N3.Cl","DDEKNUXJOSZEPU-UHFFFAOYSA-N",376177,NA,"PDBC46113","656711","Present",NA,NA
+"46114","NSC656725",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656725",NA,"CC1=C(C2CCCCCC(C2C1=O)C(=O)OC)CO","RDIWGZIGEVJSHX-VUDPYIQVSA-N",376190,NA,"PDBC46114","656725","Present",NA,NA
+"46115","NSC656726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656726",NA,"CC1=C(C2CCCCC(C2C1=O)C(=O)OC)C(=O)OC","PKCLVAQEGIHWKZ-VXFCFVAISA-N",376191,NA,"PDBC46115","656726","Present",NA,NA
+"46116","NSC656727",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656727",NA,"CCC1=C(C2CCCCCC(C2C1=O)C(=O)OC)C(=O)C","RXEOEUAEXSBWND-IKCIUXDWSA-N",376192,NA,"PDBC46116","656727","Present",NA,NA
+"46117","NSC656728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656728",NA,"CC1=C(C2CCCC(C2C1=O)C(=O)OC)CO","PRBDOAIFHXDNOT-PGIIIRCOSA-N",376193,NA,"PDBC46117","656728","Present",NA,NA
+"46118","NSC656729",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656729",NA,"CCC1=C(C2CCCCC(C2C1=O)C(=O)OC)C(=O)C","YWXVYOWSAKMTHO-HFUMIRBISA-N",376194,NA,"PDBC46118","656729","Present",NA,NA
+"46119","NSC656731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656731",NA,"CC(C(C1=CC=CC=C1)O)C(=O)N2C(C(N(C2=O)C(=O)C(C)C(C3=CC=CC=C3)O)C4=CC=CC=C4)C5=CC=CC=C5","VPYJTJAWJILYBY-CAILYHCBSA-N",376196,NA,"PDBC46119","656731","Present",NA,NA
+"46120","NSC656742",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656742",NA,"C1C=C(C2CC34C1(CC=C(C(C3)O2)Br)COC4)Br","SWXRIKQGWWGZFX-VTXSZYRJSA-N",376205,NA,"PDBC46120","656742","Present",NA,NA
+"46121","NSC656776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656776",NA,"CC(=O)C1=NN(C2(CSCN2C1=O)C(=O)OC)C(=O)C(C3=CC=CC=C3)(C(F)(F)F)OC","SFZRZGLNYDVTSD-QZTJIDSGSA-N",6712102,NA,"PDBC46121","656776","Present",NA,NA
+"46122","NSC656777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656777",NA,"CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]1=CC=C(C=C1)N(C)C)OCC","IGNUDNBHYTWKPL-UHFFFAOYSA-N",3086593,NA,"PDBC46122","656777","Present",NA,NA
+"46123","NSC656781",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656781",NA,"COC1=CC=CC=C1CNCCCCCNCCCCCCCCCCNCCCCCNCC2=CC=CC=C2OC.Cl","FKLBBTRSYWUCLH-UHFFFAOYSA-N",376213,NA,"PDBC46123","656781","Present",NA,NA
+"46124","NSC656905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656905",NA,"CC1=CN(C(=O)NC1=O)C2CN(CC(O2)CO)O","NPYQCKCULLEPAV-JGVFFNPUSA-N",376225,NA,"PDBC46124","656905","Present",NA,NA
+"46125","NSC656906",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656906",NA,"CC1=CN(C(=O)NC1=O)C2CN(CC(O2)COC(=O)C)OC(=O)C","ZSTVKXLULUZOAT-NEPJUHHUSA-N",376226,NA,"PDBC46125","656906","Present",NA,NA
+"46126","NSC656915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656915",NA,"CC1=NC(COC1=O)(C)C2CC3C=CC2C3=O","WSIRDTJPPCMRBD-HWMWNZGHSA-N",6712107,NA,"PDBC46126","656915","Present",NA,NA
+"46127","NSC656916",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656916",NA,"CC1=NC(COC1=O)(C)C2CC3C=CC2C3=O","WSIRDTJPPCMRBD-HEJPYPEKSA-N",6712108,NA,"PDBC46127","656916","Present",NA,NA
+"46128","NSC656917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656917",NA,"CC(CO)(C1CC2C=CC1C2(OC)OC)N","JYSJAEKVNNAEAN-AHELAYONSA-N",6712109,NA,"PDBC46128","656917","Present",NA,NA
+"46129","NSC656969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656969",NA,"CC(C)(C)C1N(CC2(N1C(=O)OC2C3=CC=CC=C3)C(=O)OC)C","HRYXDZVWGIMPPC-HJFZTSBYSA-N",376263,NA,"PDBC46129","656969","Present",NA,NA
+"46130","NSC656989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656989",NA,"CCCCCCCCCCCCCC(=O)OCC(CCS(=O)(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C)OC(=O)CCCCCCCCCCCCC","JBPJZCIZQUIAPP-ONLSQAIHSA-N",376276,NA,"PDBC46130","656989","Present",NA,NA
+"46131","NSC657025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657025",NA,"COC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=CNC4=C3C=CC=N4.Cl","NSOJXVRGPOOUBB-UHFFFAOYSA-N",5467630,NA,"PDBC46131","657025","Present",NA,NA
+"46132","NSC657131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657131",NA,"CC1(OCC(O1)C2C3C(C(O2)N4C(CC(O4)CI)C5=CC=CC=C5)OC(O3)(C)C)C","DNMZRVPVAJJKCP-IACCGRTASA-N",376318,NA,"PDBC46132","657131","Present",NA,NA
+"46133","NSC657132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657132",NA,"CCCCCCCC1C2=NC(=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C=C(C(=C2)N5)C)C)CCC(=O)O)CCC(=O)O)C)C1(C)CC(=O)N(C)C","RDFTUVJAQXQAKR-RQOKWHBQSA-N",6712120,NA,"PDBC46133","657132","Present",NA,NA
+"46134","NSC657171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657171",NA,"CC1C(C2(C(C(=CC1(C2OC(=O)C)CC=C)OC)O)OC)C3=CC4=C(C(=C3)OC)OCO4","JOVUASOEFFIFHT-VAZHCZAXSA-N",376339,NA,"PDBC46134","657171","Present",NA,NA
+"46135","NSC657281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657281",NA,"CC(C)CCCC(C)C1CCC2(C1(CC(=O)C3=C4CCC(C(C4=CC(=C32)N)(C)C)OC(=O)C)C)C","UVEONZSTDWUGCL-FQPKYVBKSA-N",6712123,NA,"PDBC46135","657281","Present",NA,NA
+"46136","NSC657282",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657282",NA,"CC(CC=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)C3CCC4C3(C(CC5C4C(CC6C5(CCC(C6)OC(=O)C)C)OC(=O)C)OC(=O)C)C","IBIFLTCGOWPDDM-YSPYFAEQSA-N",376380,NA,"PDBC46136","657282","Present",NA,NA
+"46137","NSC657283",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657283",NA,"CC(CC=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3CCC4C3(C(CC5C4C(CC6C5(CCC(C6)OC(=O)C)C)OC(=O)C)OC(=O)C)C","SIMBIMVQGUIBOO-AGAGJJGYSA-N",376381,NA,"PDBC46137","657283","Present",NA,NA
+"46138","NSC657300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657300",NA,"C1CC2=CC=CC=C2CC1=NNC(=S)N","PRPQTKXPDREXDT-JLHYYAGUSA-N",5465605,NA,"PDBC46138","657300","Present",NA,NA
+"46139","NSC657301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657301",NA,"CCN1CCC(C(C1)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl)(C=CC3=CC(=C(C=C3)Cl)Cl)O.Cl","RMNJSFMUENDUHU-PFNZFPJOSA-N",5467640,NA,"PDBC46139","657301","Present",NA,NA
+"46140","NSC657302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657302",NA,"CCN1CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)OC)(C=CC3=CC=C(C=C3)OC)O.Cl","GHAYCVLLDHWCPM-LXGWYQKSSA-N",5467642,NA,"PDBC46140","657302","Present",NA,NA
+"46141","NSC657311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657311",NA,"CC1=CC(=C(C2=C1C(=O)C=C(O2)C(=C(C)O)C(=O)C)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","FYXYNYDJHNUTPL-DHRITJCHSA-N",135499367,NA,"PDBC46141","657311","Present",NA,NA
+"46142","NSC657353",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657353",NA,"C1=CC=C(C=C1)C=C2C(=O)N(C(=N2)C3=CC=CC=C3)N4C(=NC5=CC=CC=C5C4=O)C6=CC=CC=C6","WQYGOSLBZQYJFR-QOMWVZHYSA-N",6081149,NA,"PDBC46142","657353","Present",NA,NA
+"46143","NSC657354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657354",NA,"CC1=NC(=CC2=CC=CC=C2O)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","LCHLZKBAEBXXNK-QNGOZBTKSA-N",5924006,NA,"PDBC46143","657354","Present",NA,NA
+"46144","NSC657355",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657355",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2N4C(=NC(=CC5=CC=CC=C5O)C4=O)C6=CC=CC=C6","AXZKDFXRZWPJKB-PLRJNAJWSA-N",5922140,NA,"PDBC46144","657355","Present",NA,NA
+"46145","NSC657358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657358",NA,"CC1=NC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","RJBINDGPUXDXQT-JCMHNJIXSA-N",5919914,NA,"PDBC46145","657358","Present",NA,NA
+"46146","NSC657359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657359",NA,"CC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","JXCUGZQWESOSDR-JCMHNJIXSA-N",6110524,NA,"PDBC46146","657359","Present",NA,NA
+"46147","NSC657360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657360",NA,"CC1=NC(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)N1N3C(=NC4=CC=CC=C4C3=O)C5=CC=CC=C5","HOQCCCTWTQVFAP-HMAPJEAMSA-N",5937027,NA,"PDBC46147","657360","Present",NA,NA
+"46148","NSC657371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657371",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)OC)C(=O)CC4=CC=CC=C4","BMKFXNMFVDIFAA-UHFFFAOYSA-N",376457,NA,"PDBC46148","657371","Present",NA,NA
+"46149","NSC657377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657377",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)CC4=CC=CC=C4","SHCZDIIKPIUSND-UHFFFAOYSA-N",376463,NA,"PDBC46149","657377","Present",NA,NA
+"46150","NSC657422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657422",NA,"CC(=O)NC1=NC(=O)C(=CC2=CC=CC=C2Cl)N1C","QFCCHNZINWRSPJ-XFFZJAGNSA-N",20835057,NA,"PDBC46150","657422","Present",NA,NA
+"46151","NSC657424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657424",NA,"CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC=C(C=C2)[N+](=O)[O-].[Na+]","SGBPNRPBCKINDL-UHFFFAOYSA-N",54600958,NA,"PDBC46151","657424","Present",NA,NA
+"46152","NSC657425",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657425",NA,"CC(=O)NC1=NC(=O)C(=CC2=C(C=CC(=C2)OC)OC)N1C","QCAJKOPACIJVJA-WQLSENKSSA-N",20834994,NA,"PDBC46152","657425","Present",NA,NA
+"46153","NSC657426",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657426",NA,"CC(=O)C1C(=O)C(=O)N(C1=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl.[Na+]","YLRLVJCVKAHGCN-UHFFFAOYSA-N",54604809,NA,"PDBC46153","657426","Present",NA,NA
+"46154","NSC657427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657427",NA,"CC(=O)C1C(=O)C(=O)N(C1=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-].[Na+]","UIDBVGUYMYCJES-UHFFFAOYSA-N",54608199,NA,"PDBC46154","657427","Present",NA,NA
+"46155","NSC657429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657429",NA,"CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC(=CC=C2)[N+](=O)[O-].[Na+]","QMOMYKGCNYLGDJ-UHFFFAOYSA-N",54608864,NA,"PDBC46155","657429","Present",NA,NA
+"46156","NSC657430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657430",NA,"CC(=O)NC1=NC(=O)C(=CC2=C(C=C(C=C2)Cl)Cl)N1C","IAIBEIFGSUEZLB-WZUFQYTHSA-N",20835176,NA,"PDBC46156","657430","Present",NA,NA
+"46157","NSC657433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657433",NA,"CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC=C(C=C2)Br.[Na+]","YKAWMCRKDMQVFS-UHFFFAOYSA-N",54608585,NA,"PDBC46157","657433","Present",NA,NA
+"46158","NSC657435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657435",NA,"COC1=CC=CC(=C1O)C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC=CC=C4.[Cl-]","GILHFQNVPRUITG-UHFFFAOYSA-N",50986647,NA,"PDBC46158","657435","Present",NA,NA
+"46159","NSC657436",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657436",NA,"C1=CC(=C(C=C1C2=CSC3=[N+]2C(=O)C(=CC4=C(C=C(C=C4)Cl)Cl)S3)O)O.[Cl-]","JNFFGXBZSUUKHV-FPUQOWELSA-N",50986637,NA,"PDBC46159","657436","Present",NA,NA
+"46160","NSC657437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657437",NA,"CC(=O)NNC(=S)N=CC1=C(C2=CC=CC=C2OC1=O)O","FVPQBTZMRPXWDW-NSIKDUERSA-N",135499368,NA,"PDBC46160","657437","Present",NA,NA
+"46161","NSC657440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657440",NA,"COC1=CC=CC=C1C=C2C(=O)[N+]3=C(S2)SC=C3CC(=O)NC4=CC=CC=C4.[Br-]","LJJKZMGKCLZVHT-NWBUNABESA-N",54598688,NA,"PDBC46161","657440","Present",NA,NA
+"46162","NSC657443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657443",NA,"CCOC(=O)CC1=CSC2=[N+]1C(=O)C(=CC3=C(C(=CC=C3)Cl)Cl)S2.[Cl-]","YUSDNKKIWUBPQK-WXIWBVQFSA-M",54611298,NA,"PDBC46162","657443","Present",NA,NA
+"46163","NSC657444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657444",NA,"CCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","WOXYIOOGPNCFDA-MFVDZPRVSA-N",5467647,NA,"PDBC46163","657444","Present",NA,NA
+"46164","NSC657453",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657453",NA,"COC1=C(C=C(C=C1)C=C2C(=O)NC(=NNC3=NC(=CS3)C4=CC=CC=C4)S2)OC","UTQSUAZAWYRLIC-WQRHYEAKSA-N",135451678,NA,"PDBC46164","657453","Present",NA,NA
+"46165","NSC657454",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657454",NA,"COC1=CC=CC=C1C=C2C(=O)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","UXRHZFZZJMBGMU-BOSGCFSHSA-N",5467648,NA,"PDBC46165","657454","Present",NA,NA
+"46166","NSC657460",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657460",NA,"CCCNC(=S)N=CC1=C(C2=CC=CC=C2OC1=O)O","STDCSQSRHMZUFT-PXNMLYILSA-N",135499370,NA,"PDBC46166","657460","Present",NA,NA
+"46167","NSC657491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657491",NA,NA,NA,NA,NA,"PDBC46167","657491","Present",NA,NA
+"46168","NSC657492",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657492",NA,NA,NA,NA,NA,"PDBC46168","657492","Present",NA,NA
+"46169","NSC657493",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657493",NA,NA,NA,NA,NA,"PDBC46169","657493","Present",NA,NA
+"46170","NSC657494",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657494",NA,NA,NA,NA,NA,"PDBC46170","657494","Present",NA,NA
+"46171","NSC657495",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657495",NA,NA,NA,NA,NA,"PDBC46171","657495","Present",NA,NA
+"46172","NSC657496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657496",NA,NA,NA,NA,NA,"PDBC46172","657496","Present",NA,NA
+"46173","NSC657497",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657497",NA,NA,NA,NA,NA,"PDBC46173","657497","Present",NA,NA
+"46174","NSC657505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657505",NA,"C=C1CC(C2C1CC3C2CCC3)(C#N)C#N.C=C1CC(C2C1C3CCCC3C2)(C#N)C#N","KKVLJNAIHNYGTJ-JDVCXJQQSA-N",376539,NA,"PDBC46174","657505","Present",NA,NA
+"46175","NSC657558",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657558",NA,"C1=CC=C(C(=C1)C=NC(C2=CC=CC=C2O)N=CC3=CC=CC=C3[O-])[O-].C1=CC=C(C(=C1)C=NC(C2=CC=CC=C2O)N=CC3=CC=CC=C3[O-])[O-].[Zr+4]","GCCCONQAXVGKKZ-UQAYRYHPSA-J",9571799,NA,"PDBC46175","657558","Present",NA,NA
+"46176","NSC657564",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657564",NA,"COC(=O)C1(CCCCCCN1C(=O)C2=CC=CC=C2)CC3=CC4=CC=CC=C4C=C3","BHBPEOMTJUUWBV-HHHXNRCGSA-N",6712148,NA,"PDBC46176","657564","Present",NA,NA
+"46177","NSC657569",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657569",NA,"CCOC(=O)C1=C(N=C(S1)NN=C2NC(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S2)C","QTTBBTAPWAAFNE-WQLSENKSSA-N",135481374,NA,"PDBC46177","657569","Present",NA,NA
+"46178","NSC657571",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657571",NA,"CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC(=C(C=C2)Cl)Cl.[Na+]","MMKTVWILXARYAW-UHFFFAOYSA-N",54608599,NA,"PDBC46178","657571","Present",NA,NA
+"46179","NSC657572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657572",NA,"CC1=CC=CC=C1NC(=O)CC2=CSC3=[N+]2C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])S3.[Br-]","LBQRJKODMVELNH-LFYAFSDUSA-N",24202437,NA,"PDBC46179","657572","Present",NA,NA
+"46180","NSC657574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657574",NA,"C1=CC=C2C(=C1)C(=O)C(=CN3C(=O)C(=CC4=CC(=CC=C4)O)NC3=O)C(=O)O2","PVNOTJNNKRECQD-CEUHLDMKSA-N",6270268,NA,"PDBC46180","657574","Present",NA,NA
+"46181","NSC657577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657577",NA,"CC1(CC(=C(C(=O)C1)C=NC2=NC(=CS2)C3=CC=C(C=C3)Br)O)C.Br","CLZDGWDVQGEFQJ-NFLPFLSFSA-N",135450436,NA,"PDBC46181","657577","Present",NA,NA
+"46182","NSC657578",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657578",NA,"CC1=CC(=O)C(=CN2C(=O)C(=CC3=CN=CC=C3)NC2=S)C(=O)O1","UPRZQJFCWDOXRQ-KPEOIQKJSA-N",54611299,NA,"PDBC46182","657578","Present",NA,NA
+"46183","NSC657581",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657581",NA,"CC1(CC(=C(C(=O)C1)C=NC2=NC(=CS2)C3=CC=CC=C3)O)C.Br","NYCNWPPSYLTTQL-ZIOFAICLSA-N",135450437,NA,"PDBC46183","657581","Present",NA,NA
+"46184","NSC657585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657585",NA,"CCOC(=O)CC1=CSC2=[N+]1C(=O)C(=CC3=C(C(=CC=C3)OC)O)S2.[Cl-]","KLOVRDAEAPKSDZ-UHFFFAOYSA-N",6517806,NA,"PDBC46184","657585","Present",NA,NA
+"46185","NSC657608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657608",NA,"CC1(CC(=C(C(=O)C1)C=NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])O)C.[Cl-]","RVXCKDDAWQYTHT-MYHMWQFYSA-M",135450438,NA,"PDBC46185","657608","Present",NA,NA
+"46186","NSC657674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657674",NA,"CC1=C(C=C(C(=N1)C)C(=O)NNC(=O)C[N+](C)(C)C)C(=O)NNC(=O)C[N+](C)(C)C.[Cl-]","QJKHXLKPUYWOLU-UHFFFAOYSA-O",376643,NA,"PDBC46186","657674","Present",NA,NA
+"46187","NSC657699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657699",NA,"CC1=C(SC(=N1)NN=C2NC(=O)C(=CC3=C(C(=CC=C3)OC)O)S2)C","HTRXFQOHRYUQQD-GHXNOFRVSA-N",135499373,NA,"PDBC46187","657699","Present",NA,NA
+"46188","NSC657704",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657704",NA,"C1=CC=C(C(=C1)C=C2C(=O)N(C(=O)N2)C=C3C(=O)C4=CC=CC=C4OC3=O)O","OXOLJTSYTWUJTR-DVICISQYSA-N",5459242,NA,"PDBC46188","657704","Present",NA,NA
+"46189","NSC657709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657709",NA,"CC(=O)NC1=NC(=O)C(=CC2=CC(=C(C=C2)OC(=O)C)OC)N1C","SZPUPKORCAXFCG-GHXNOFRVSA-N",54601658,NA,"PDBC46189","657709","Present",NA,NA
+"46190","NSC657712",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657712",NA,"CC1=C(C(=CC=C1)N2C(=O)C(C(=O)C2=O)C(=O)C)C.[Na+]","NCPPXTGGUUNAFI-UHFFFAOYSA-N",54612596,NA,"PDBC46190","657712","Present",NA,NA
+"46191","NSC657717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657717",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC=C(C=C4)[N+](=O)[O-].[Br-]","METPXYIWOIXFJA-LFMIJCLESA-M",6517813,NA,"PDBC46191","657717","Present",NA,NA
+"46192","NSC657729",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657729",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=O)OC(N3)C4=CC=CC=C4","WWNBTZIIKMYAOS-JYRVWZFOSA-N",5467675,NA,"PDBC46192","657729","Present",NA,NA
+"46193","NSC657737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657737",NA,"C1=CSC(=C1)C(=O)C=C(C2=CSC=C2)C(=O)C3=CC=C(C=C3)Br","FZRHLFKXCZPBNU-GDNBJRDFSA-N",5467677,NA,"PDBC46193","657737","Present",NA,NA
+"46194","NSC657742",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657742",NA,"COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)Br","FTECEXAWFUIWJG-NYYWCZLTSA-N",5357659,NA,"PDBC46194","657742","Present",NA,NA
+"46195","NSC657745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657745",NA,"C1=CSC(=C1)C=CC(=O)C2=CC=C(S2)Cl","MGBNVHNNELLVTE-ONEGZZNKSA-N",5356328,NA,"PDBC46195","657745","Present",NA,NA
+"46196","NSC657774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657774",NA,"CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)C=NN=CC4=CC=C(C=C4)C5=C[N+]6=CC=CC=C6N5C.[Br-]","IBQBBVTYWBMCCX-IZXMOPRRSA-M",54611300,NA,"PDBC46196","657774","Present",NA,NA
+"46197","NSC657775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657775",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C=NNC(=O)C(=O)NN=CC4=CC=C(C=C4)C5=CN6C=CC=CC6=[N+]5C","HBLDPRRLQKBPOH-IBHFGPSZSA-O",54608210,NA,"PDBC46197","657775","Present",NA,NA
+"46198","NSC657776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657776",NA,"C[N+]1=C2C=CC(=CN2C=C1C3=CC=C(C=C3)C=NNC(=N)NN=CC4=CC=C(C=C4)C5=CN6C=C(C=CC6=[N+]5C)Cl)Cl.Cl.[Cl-]","HSAFEZIQXPXYAE-VZEHSPQPSA-M",135499375,NA,"PDBC46198","657776","Present",NA,NA
+"46199","NSC657777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657777",NA,"C[N+]1=C2C=CC=CN2C=C1C3=CC=C(C=C3)C=NNC4=NNC(=S)N4NN=CC5=CC=C(C=C5)C6=CN7C=CC=CC7=[N+]6C.[Br-]","DZJAUNQDEGEVLY-IBHFGPSZSA-N",54601659,NA,"PDBC46199","657777","Present",NA,NA
+"46200","NSC657778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657778",NA,"CC1=CN2C=C([N+](=C2C=C1)C)C3=CC=C(C=C3)C=NNC(=N)NN=CC4=CC=C(C=C4)C5=CN6C=C(C=CC6=[N+]5C)C.Cl.[Cl-]","QMSHGLAMALWRBV-UZECXPEISA-M",135499376,NA,"PDBC46200","657778","Present",NA,NA
+"46201","NSC657780",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657780",NA,"C[N+]1=C2N(C=CS2)C=C1C3=CC=C(C=C3)C=NNC(=O)C(=O)NN=CC4=CC=C(C=C4)C5=CN6C=CSC6=[N+]5C.[Br-]","VNNRKZQLRDMHNO-UBKHYGEISA-O",54608744,NA,"PDBC46201","657780","Present",NA,NA
+"46202","NSC657781",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657781",NA,"CN1C(=C[N+]2=C1SC=C2)C3=CC=C(C=C3)C=NNC(=S)NN=CC4=CC=C(C=C4)C5=C[N+]6=C(N5C)SC=C6.[Br-]","FIMWENYXGPHTLO-LKRVBQNUSA-N",54608583,NA,"PDBC46202","657781","Present",NA,NA
+"46203","NSC657782",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657782",NA,"C[N+]1=C2N(C=CS2)C=C1C3=CC=C(C=C3)C=NNC4=NC(=NC=C4)NN=CC5=CC=C(C=C5)C6=CN7C=CSC7=[N+]6C.Br.[Br-]","PPFFQTZPHLWHMS-YBJKMDOLSA-M",54602163,NA,"PDBC46203","657782","Present",NA,NA
+"46204","NSC657788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657788",NA,"C1=CC=C2C(=C1)C(=C(C3=CC=C(C=C3)[N+](=O)[O-])Br)OC2=O","XNLIZJPSVSOMQT-YPKPFQOOSA-N",5914000,NA,"PDBC46204","657788","Present",NA,NA
+"46205","NSC657789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657789",NA,"CC1=CC(=CC=C1)C(=C2C3=CC=CC=C3C(=O)O2)Br","QCHLISHCNOKVIA-PFONDFGASA-N",50987366,NA,"PDBC46205","657789","Present",NA,NA
+"46206","NSC657875",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657875",NA,"CCCC(=O)N1CCN(CC1)C2=CC3=C(C=C2)OC(O3)C.Cl","AKOLKLZJQJLHMT-UHFFFAOYSA-N",376798,NA,"PDBC46206","657875","Present",NA,NA
+"46207","NSC657880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657880",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC(=N)N.Cl","NHTUQBOVDLNQIW-SODSUQDMSA-N",5467697,NA,"PDBC46207","657880","Present",NA,NA
+"46208","NSC657930",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657930",NA,"CCOC(=O)C(S(=NS(=O)(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)(Cl)Cl","QYUQMGIVAWCGQK-UHFFFAOYSA-N",6101994,NA,"PDBC46208","657930","Present",NA,NA
+"46209","NSC657959",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657959",NA,"CC(=O)C1C(C=CC2=C(C=CC(=C12)OC)OC)C3(SCCS3)C","YRAWULGEUZEPKB-KNVGNIICSA-N",376841,NA,"PDBC46209","657959","Present",NA,NA
+"46210","NSC657966",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657966",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)C4=CC=C(C=C4)Cl","QMUKUOKRJOJRAA-UHFFFAOYSA-N",376847,NA,"PDBC46210","657966","Present",NA,NA
+"46211","NSC657967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657967",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)OC)C(=O)C4=CC=C(C=C4)Cl","BIKVKSCSIMJKAW-UHFFFAOYSA-N",376848,NA,"PDBC46211","657967","Present",NA,NA
+"46212","NSC657968",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657968",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)Cl)C(=O)C4=CC=C(C=C4)Cl","USKWMDLUGKCETH-UHFFFAOYSA-N",376849,NA,"PDBC46212","657968","Present",NA,NA
+"46213","NSC657969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657969",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl","DMGXLKKZVBSGHX-UHFFFAOYSA-N",376850,NA,"PDBC46213","657969","Present",NA,NA
+"46214","NSC657970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657970",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)O)C(=O)C4=CC=C(C=C4)Cl","YAJGBQDBXNIWAB-UHFFFAOYSA-N",376851,NA,"PDBC46214","657970","Present",NA,NA
+"46215","NSC657971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657971",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl","QBZPGNXXOLBQBP-UHFFFAOYSA-N",376852,NA,"PDBC46215","657971","Present",NA,NA
+"46216","NSC657972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657972",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl","OLAJRZGJYUWZEJ-UHFFFAOYSA-N",376853,NA,"PDBC46216","657972","Present",NA,NA
+"46217","NSC657973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657973",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)O)OC)C(=O)C4=CC=C(C=C4)Cl","YQCPMTMMHBHNSH-UHFFFAOYSA-N",376854,NA,"PDBC46217","657973","Present",NA,NA
+"46218","NSC657974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657974",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)OC)OC)C(=O)C4=CC=C(C=C4)Cl","OCCVKIPVCAFJRA-UHFFFAOYSA-N",376855,NA,"PDBC46218","657974","Present",NA,NA
+"46219","NSC657976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657976",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C4=CC=C(C=C4)Cl","VEHDNVUNMNHFLO-UHFFFAOYSA-N",376857,NA,"PDBC46219","657976","Present",NA,NA
+"46220","NSC657977",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657977",NA,"CC1=NN(C2=C1C(SC(=N2)N)C=CC3=CC=CC=C3)C(=O)C4=CC=C(C=C4)Cl","XGOQGZPZPBFDEW-KPKJPENVSA-N",5805193,NA,"PDBC46220","657977","Present",NA,NA
+"46221","NSC657978",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657978",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CO3)C(=O)C4=CC=C(C=C4)Cl","BRZOIVJIGIWCRE-UHFFFAOYSA-N",376859,NA,"PDBC46221","657978","Present",NA,NA
+"46222","NSC657981",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657981",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)OC)C(=O)C4=CC=NC=C4","CAEXPSIRBPHCSI-UHFFFAOYSA-N",376862,NA,"PDBC46222","657981","Present",NA,NA
+"46223","NSC657984",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657984",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=NC=C4","XPPNIJVCIHKXLU-UHFFFAOYSA-N",376865,NA,"PDBC46223","657984","Present",NA,NA
+"46224","NSC657989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657989",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3)C(=O)C4=CC=CC=C4O","BVSPERARIJIAHO-UHFFFAOYSA-N",376869,NA,"PDBC46224","657989","Present",NA,NA
+"46225","NSC657990",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657990",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CC=C3O)C(=O)C4=CC=CC=C4O","UNSFDNVPARPKIO-UHFFFAOYSA-N",376870,NA,"PDBC46225","657990","Present",NA,NA
+"46226","NSC657991",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657991",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4O","QBIUUJPBCDSNOS-UHFFFAOYSA-N",376871,NA,"PDBC46226","657991","Present",NA,NA
+"46227","NSC657992",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657992",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4O","RVAHGYUSMDBODJ-UHFFFAOYSA-N",376872,NA,"PDBC46227","657992","Present",NA,NA
+"46228","NSC657993",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657993",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)O)C(=O)C4=CC=CC=C4O","BBTFCDQMNLYHNV-UHFFFAOYSA-N",376873,NA,"PDBC46228","657993","Present",NA,NA
+"46229","NSC657995",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657995",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C=C3)O)OC)C(=O)C4=CC=CC=C4O","UVLQPYUTFKQYTA-UHFFFAOYSA-N",376875,NA,"PDBC46229","657995","Present",NA,NA
+"46230","NSC657998",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657998",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=CO3)C(=O)C4=CC=CC=C4O","LUVYBEJIZQWAIG-UHFFFAOYSA-N",376878,NA,"PDBC46230","657998","Present",NA,NA
+"46231","NSC657999",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657999",NA,"CC1=CC=C(C=C1)C2C3=C(N=C(S2)N)N(N=C3C)C(=O)C4=CC=CC=C4O","QSQVZOUDJRPDFI-UHFFFAOYSA-N",376879,NA,"PDBC46231","657999","Present",NA,NA
+"46232","NSC658000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658000",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC(=C(C(=C3)OC)OC)OC)C(=O)C4=CC=CC=C4O","QDLCGZDOMXNXPY-UHFFFAOYSA-N",376880,NA,"PDBC46232","658000","Present",NA,NA
+"46233","NSC658001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658001",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=C(C4=CC=CC=C4C=C3)O)C(=O)C5=CC=CC=C5O","HUMLAPTUTYGIRN-UHFFFAOYSA-N",376881,NA,"PDBC46233","658001","Present",NA,NA
+"46234","NSC658114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658114",NA,"CC1C#CCC(C=CCCCCC1=O)OCOC","MZBINVXLODRUGH-WEVVVXLNSA-N",5467712,NA,"PDBC46234","658114","Present",NA,NA
+"46235","NSC658161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658161",NA,"C1C(C2COC3=NC(=O)C(=CN3C1O2)C=CBr)O","KQCPLTZMVKCRIV-UPHRSURJSA-N",5827504,NA,"PDBC46235","658161","Present",NA,NA
+"46236","NSC658178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658178",NA,"COC1=CC=C(C=C1)C2=[S+]C(C3=CC=CC=C32)(C4=CC=CC=C4)C5=CC=CC=C5.[O-]Cl(=O)(=O)=O","JOCFVIUYAICQFM-UHFFFAOYSA-M",24202445,NA,"PDBC46236","658178","Present",NA,NA
+"46237","NSC658267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658267",NA,"CCC1=C(C(=CC=C1)CC)NC2=NC(=CS2)C3=CC=CC=C3C4=CC=CC=C4.Br","NGXUCRKXEWYABF-UHFFFAOYSA-N",377050,NA,"PDBC46237","658267","Present",NA,NA
+"46238","NSC658280",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658280",NA,"CC1=C(SC(=N1)NC2=C(C=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC=C3.Br","SCICGALPPLYVMG-UHFFFAOYSA-N",377066,NA,"PDBC46238","658280","Present",NA,NA
+"46239","NSC658284",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658284",NA,"C1=CC(=CC=C1C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC(=C(C=C4)O)O)[N+](=O)[O-].[Cl-]","GZMMNCZZIHCMJG-OYXUYBEVSA-N",54612520,NA,"PDBC46239","658284","Present",NA,NA
+"46240","NSC658287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658287",NA,"C=CCN1C(=O)C2=CC=CC=C2[N+]3=C1SC=C3C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]","RJIBEJVHYCQTNV-UHFFFAOYSA-M",377075,NA,"PDBC46240","658287","Present",NA,NA
+"46241","NSC658288",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658288",NA,"CN1C(=O)C2=CC=CC=C2[N+]3=C1SC=C3C4=CC(=CC=C4)[N+](=O)[O-].[Br-]","BNKLNXGSYXYWGC-UHFFFAOYSA-M",377077,NA,"PDBC46241","658288","Present",NA,NA
+"46242","NSC658289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658289",NA,"CC(=CC1=CC=CC=C1)C=C2C(=O)N(C(=S)N2)C=C3C(=O)C4=CC=CC=C4OC3=O","ODHKGBNZWOWHQJ-NTFMMRTFSA-N",54608213,NA,"PDBC46242","658289","Present",NA,NA
+"46243","NSC658292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658292",NA,"CC1=C(SC(=N1)NN=C2NC(=O)C(=CC3=CC=CC=C3OC)S2)C(=O)C","COKVYQHBAPVMTI-JYRVWZFOSA-N",135472679,NA,"PDBC46243","658292","Present",NA,NA
+"46244","NSC658294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658294",NA,"CC1=CSC2=[N+]1C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])S2.[Cl-]","ZWZLTMVNZSBOCE-ICSBZGNSSA-M",50986628,NA,"PDBC46244","658294","Present",NA,NA
+"46245","NSC658296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658296",NA,"COC1=CC=CC=C1C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC(=C(C=C4)O)O.[Cl-]","VYEYYWJNKWLBSR-WPTDRQDKSA-N",6517873,NA,"PDBC46245","658296","Present",NA,NA
+"46246","NSC658297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658297",NA,"CC1=C(SC2=[N+]1C3=CC=CC=C3C(=O)N2C)C(=O)C.[Cl-]","WVEGGSRXAUFCQG-UHFFFAOYSA-M",377090,NA,"PDBC46246","658297","Present",NA,NA
+"46247","NSC658298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658298",NA,"CCOC(=O)C1=C([N+]2=C(S1)N(C(=O)C3=CC=CC=C32)CC=C)C.[Cl-]","YDAJLLMVHLPISI-UHFFFAOYSA-M",377092,NA,"PDBC46247","658298","Present",NA,NA
+"46248","NSC658299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658299",NA,"CC1=CSC2=[N+]1C3=CC=CC=C3C(=O)N2C.[Cl-]","LEHYSBBMLZFGRD-UHFFFAOYSA-M",377094,NA,"PDBC46248","658299","Present",NA,NA
+"46249","NSC658306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658306",NA,"CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)N=NC2=C(NC3=CC=CC=C32)O","WFCJXKRYLJVWFQ-NGOQBXJDSA-N",135499379,NA,"PDBC46249","658306","Present",NA,NA
+"46250","NSC658307",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658307",NA,"CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)NC2=CC(=C(C=C2)Cl)Cl","GKDDOSKNOJHEFE-WBDKJCPFSA-N",135499380,NA,"PDBC46250","658307","Present",NA,NA
+"46251","NSC658311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658311",NA,"CCOC1=CC=C(C=C1)C=C2C(=O)N=C(N2C)NC(=O)C","JXLAZZVWHTZSKO-LCYFTJDESA-N",6375025,NA,"PDBC46251","658311","Present",NA,NA
+"46252","NSC658312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658312",NA,"CC(=O)NC1=NC(=O)C(=CC2=CC=C(C=C2)C=C3C(=O)N=C(N3C)NC(=O)C)N1C","TXNIBZOTXQRZDN-VULZFCBJSA-N",54608796,NA,"PDBC46252","658312","Present",NA,NA
+"46253","NSC658314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658314",NA,"C1=CN=CC=C1C(=S)NC=C(C#N)C(=O)N","ZARCIHYRTWXGFV-VURMDHGXSA-N",51059369,NA,"PDBC46253","658314","Present",NA,NA
+"46254","NSC658315",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658315",NA,"CCOP(=O)(C(=CN1C(=O)CC(=O)NC1=S)C(=O)OC)OCC","QBRDMNLBBRNUEY-FPLPWBNLSA-N",54608215,NA,"PDBC46254","658315","Present",NA,NA
+"46255","NSC658321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658321",NA,"CCOP(=O)(C(=CN1C2=C(C=C(C=C2)C)NC1=S)C(=O)OC)OCC","OGHXQXOXSWUVDD-UVTDQMKNSA-N",54601660,NA,"PDBC46255","658321","Present",NA,NA
+"46256","NSC658333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658333",NA,"CC1=CC=CC=C1NC(=O)C(=C(C)O)C=NC(=S)NC2=CC=CC=C2","WJTASNVMIXMJIH-RFPHZZGESA-N",135409112,NA,"PDBC46256","658333","Present",NA,NA
+"46257","NSC658337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658337",NA,"C1=CC(=CC=C1NC(=S)NC=C(C#N)C(=O)N)S(=O)(=O)N","KZDNJZDVBCTUOL-SREVYHEPSA-N",54611306,NA,"PDBC46257","658337","Present",NA,NA
+"46258","NSC658343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658343",NA,"C1=CC=C(C=C1)C2=CSC(=N2)N=CC3=C(C4=CC=CC=C4OC3=O)O.Cl","SRQDMOGWMQHQFX-NVMQZCJTSA-N",135499385,NA,"PDBC46258","658343","Present",NA,NA
+"46259","NSC658351",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658351",NA,"CCC1=C(C(=CC=C1)C(C)(C)C)NC(=S)NC=C(C#N)C(=O)N","KYFOIAWKPSURFK-BENRWUELSA-N",54608602,NA,"PDBC46259","658351","Present",NA,NA
+"46260","NSC658388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658388",NA,"CN1C2=CC=CC=C2C3=C1C(=O)N(CC3)CCCCN(C)C.Cl","RSKOBACAHCQHSX-UHFFFAOYSA-N",377173,NA,"PDBC46260","658388","Present",NA,NA
+"46261","NSC658393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658393",NA,"CC1=C2C3C(C4(CCC(C(=C)C4C5C(C2(C)C)(CC1=O)OC(O5)(C)C)O)C)OC(O3)(C)C","XJGPBSYSHGUSPT-QYSSHOGISA-N",377176,NA,"PDBC46261","658393","Present",NA,NA
+"46262","NSC658400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658400",NA,"COC1=C(C=C(C=C1)C(=C(CCl)C2=CC=CC=C2)NC3=CC=CC=C3)OC.Cl","MSOGMGVLQQZHDM-QTXBERLJSA-N",5467728,NA,"PDBC46262","658400","Present",NA,NA
+"46263","NSC658401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658401",NA,"COC1=C(C=C(C=C1)C(=C(C2=CC(=C(C=C2)OC)OC)NC3=CC=CC=C3)CCl)OC.Cl","ILCUSNSOCMMMLZ-RKVLWQGQSA-N",5467730,NA,"PDBC46263","658401","Present",NA,NA
+"46264","NSC658483",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658483",NA,"COC1=CC=CC(=C1O)C=C2C(=O)N(C(=S)S2)C=C3C(=O)C4=CC=CC=C4OC3=O","CLNIRWFKRUWELS-UXTDIZNLSA-N",54602164,NA,"PDBC46264","658483","Present",NA,NA
+"46265","NSC658488",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658488",NA,"CC1=CSC(=N1)N=CC2=C(C3=CC=CC=C3OC2=O)O.Cl","BHTOTDRZGHWNPG-PSUINESXSA-N",135499386,NA,"PDBC46265","658488","Present",NA,NA
+"46266","NSC658489",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658489",NA,"COC1=CC=CC=C1C=C2C(=O)N(C(=S)S2)C=C3C(=O)C4=CC=CC=C4OC3=O","WWERVYUIRXOTIA-VGKBPNIWSA-N",54608139,NA,"PDBC46266","658489","Present",NA,NA
+"46267","NSC658493",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658493",NA,"CC(=O)NC1=NC(=CC2=CC=C(C=C2)Cl)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O","ZZOIDNCOXBGNNJ-ZTLHOUMVSA-N",54601661,NA,"PDBC46267","658493","Present",NA,NA
+"46268","NSC658496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658496",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=O)N(C(=S)S3)C=C4C(=O)C5=CC=CC=C5OC4=O","SMWXVSXJSFPHNB-CXENGOTMSA-N",54608897,NA,"PDBC46268","658496","Present",NA,NA
+"46269","NSC658497",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658497",NA,"C1=CC=C2C(=C1)C(=O)C(=CN3C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])SC3=S)C(=O)O2","DJFUFNNDOAUACG-FUVGAYRCSA-N",54608884,NA,"PDBC46269","658497","Present",NA,NA
+"46270","NSC658499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658499",NA,"CCOC1=CC=C(C=C1)NC(=S)N=CC(=C(C2=CC=CC=C2)O)C(=O)OCC","YIODMSGBRVFHJX-UIFYJBIOSA-N",135499387,NA,"PDBC46270","658499","Present",NA,NA
+"46271","NSC658503",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658503",NA,"CCOC(=O)C(=C(C(=O)OCC)O)C=NC(=S)NCC=C","NJGNCVGNFALPIN-VIHGFWTDSA-N",135499388,NA,"PDBC46271","658503","Present",NA,NA
+"46272","NSC658505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658505",NA,"C1=CC=C2C(=C1)NC(=S)N2C=C(C#N)C(=O)N","COAHLGJAPVYRQB-SREVYHEPSA-N",21148650,NA,"PDBC46272","658505","Present",NA,NA
+"46273","NSC658507",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658507",NA,"CCOC(=O)C(=CN1C2=CC=CC=C2SC1=O)C(=O)C3=CC=CC=C3","HOKODFITTJUAMH-OWBHPGMISA-N",5912247,NA,"PDBC46273","658507","Present",NA,NA
+"46274","NSC658508",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658508",NA,"CCC1=C(C(=CC=C1)C(C)(C)C)NC(=S)N=CC(=C(C2=CC=CC=C2)O)C(=O)OCC","URISGAGCFZMNDV-OGEHTOLHSA-N",135499389,NA,"PDBC46274","658508","Present",NA,NA
+"46275","NSC658510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658510",NA,"CCOC(=O)C(=C(C1=CC=CC=C1)O)C=NC(=S)NC2=CC(=C(C=C2)Cl)Cl","FGYDRYWSRQNBNL-YJPFOAFUSA-N",135499390,NA,"PDBC46275","658510","Present",NA,NA
+"46276","NSC658511",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658511",NA,"CCOC(=O)C(=C(C(=O)OCC)O)C=NC(=S)NC1=CC=CC=C1Cl","JAAOGEYDYYULDH-UGXMITNPSA-N",135499391,NA,"PDBC46276","658511","Present",NA,NA
+"46277","NSC658576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658576",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=C(C=C6O)C(=O)O)C=C(C=C3O)C(=O)O","JPMRHWLJLNKRTJ-ZMFCMNQTSA-N",377288,NA,"PDBC46277","658576","Present",NA,NA
+"46278","NSC658582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658582",NA,NA,NA,NA,NA,"PDBC46278","658582","Present",NA,NA
+"46279","NSC658699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658699",NA,"CC1CCC(C(=O)C1)(C(C)(C)OC)O","BHLUHWXCQDNTHP-RZZZFEHKSA-N",377297,NA,"PDBC46279","658699","Present",NA,NA
+"46280","NSC658708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658708",NA,"C1=CC=C(C=C1)NC(=CC(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=N3","XQCRSOLOBJGKML-NBVRZTHBSA-N",5920663,NA,"PDBC46280","658708","Present",NA,NA
+"46281","NSC658713",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658713",NA,"COC1=C(C(=C(C(=C1F)F)C(=CC2=NC3=CC=CC=C3NC2=O)O)F)F","GRUHNXDANRZHFE-UXBLZVDNSA-N",135499392,NA,"PDBC46281","658713","Present",NA,NA
+"46282","NSC658714",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658714",NA,"C1=CC=C(C=C1)C(=NN=C2C=CC(=O)O2)C3=CC=CC=C3","QYPGCGPUCBQSKZ-OBGWFSINSA-N",5465664,NA,"PDBC46282","658714","Present",NA,NA
+"46283","NSC658725",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658725",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)N=C(NN4)SC(=C(SC5=NC(=O)C6(C7=CC=CC=C7C8=CC=CC=C86)NN5)SC9=NC(=O)C1(C2=CC=CC=C2C2=CC=CC=C21)NN9)SC1=NC(=O)C2(C3=CC=CC=C3C3=CC=CC=C32)NN1","VTBQQSLCZGGTPR-UHFFFAOYSA-N",16129880,NA,"PDBC46283","658725","Present",NA,NA
+"46284","NSC658788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658788",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(=O)O)N","RZJBKFGYCWCCIL-UHFFFAOYSA-N",377347,NA,"PDBC46284","658788","Present",NA,NA
+"46285","NSC658791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658791",NA,"COC1=C(C=C(C=C1)CCNC(=S)N=CC2=C(C3=CC=CC=C3C2=O)O)OC","RSFQVHAHTBDLFY-FMCGGJTJSA-N",135499393,NA,"PDBC46285","658791","Present",NA,NA
+"46286","NSC658794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658794",NA,"CN(C1=C(C(=O)NN=C1)Cl)NC(=O)C(=CC2=CC=CO2)NC(=O)C3=CC=CC=C3","XBIKLVKXOSGMNL-GXDHUFHOSA-N",6106186,NA,"PDBC46286","658794","Present",NA,NA
+"46287","NSC658795",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658795",NA,"C1=CC2=C(C=C1[N+](=O)[O-])N(C(=S)N2)C=C(C#N)C(=O)N","JSMXIKIHTMCPFU-WAYWQWQTSA-N",54608797,NA,"PDBC46287","658795","Present",NA,NA
+"46288","NSC658796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658796",NA,"CCOC(=O)C(=C(C(=O)OCC)O)C=NC(=S)NC1=CC(=C(C=C1)Cl)Cl","KDRPZMOQADGTIB-RZEFXRLESA-N",135499394,NA,"PDBC46288","658796","Present",NA,NA
+"46289","NSC658798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658798",NA,"CCN1C(=C(SC1=NNC2=NC(=CS2)C3=CC(=C(C=C3)O)O)C=NC4=CC=CC=C4)O","FDKSDGFEJYKBIT-DPDMXSAESA-N",135499395,NA,"PDBC46289","658798","Present",NA,NA
+"46290","NSC658799",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658799",NA,"CCOC(=O)CC1=CSC(=N1)N=CC2=C(C3=CC=CC=C3OC2=O)O.Cl","IVUOVBMQRDPJLY-NOILCQHBSA-N",135499396,NA,"PDBC46290","658799","Present",NA,NA
+"46291","NSC658830",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658830",NA,"CN1C(=C(N=C1N)C2=CC=C(C=C2)Cl)SSC3=C(N=C(N3C)N)C4=CC=C(C=C4)Cl.Cl","IDTXQACJXCSHRM-UHFFFAOYSA-N",377387,NA,"PDBC46291","658830","Present",NA,NA
+"46292","NSC658881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658881",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(NC2=S)C3=CC=CC=C3)C#N)OC(=O)C)OC(=O)C)OC(=O)C","INYOIXCVZMSMGW-UHFFFAOYSA-N",3473552,NA,"PDBC46292","658881","Present",NA,NA
+"46293","NSC658883",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658883",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=C(C(=O)N=C2SC)C#N)C3=CC=C(C=C3)OC","XZRBCPIIQDEPMQ-UHFFFAOYSA-N",377434,NA,"PDBC46293","658883","Present",NA,NA
+"46294","NSC658885",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658885",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)ON3C(=O)C4=CC=CC=C4C3=O","YJFHXGIPDMWAJW-UHFFFAOYSA-N",377435,NA,"PDBC46294","658885","Present",NA,NA
+"46295","NSC658886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658886",NA,"CC1C#CCCCC=CC(CCC1=O)OCOC","BWLLOUVOLSIEOO-UWAWJKTMSA-N",11970056,NA,"PDBC46295","658886","Present",NA,NA
+"46296","NSC658887",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658887",NA,"CC1=C2CCCCC=CC(CC(=C1)O2)OCOC","SDRSFTOWEYDHAW-FNORWQNLSA-N",5467770,NA,"PDBC46296","658887","Present",NA,NA
+"46297","NSC658900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658900",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2Cl)C(=O)NNC3=C4C=CC(=CC4=NC=C3)Cl","ZPAXASWMGIZMAR-OEAKJJBVSA-N",5924657,NA,"PDBC46297","658900","Present",NA,NA
+"46298","NSC658913",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658913",NA,"CCCCCCCCCCCCCCCCCCNC(=S)N=CC1=C(C2=CC=CC=C2C1=O)O","MTQVWCVIIRJXFV-SXBRIOAWSA-N",135499401,NA,"PDBC46298","658913","Present",NA,NA
+"46299","NSC658927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658927",NA,"C1=CC=C2C(=C1)C(=NCCCN3C=CN=C3[N+](=O)[O-])C4=CC=CC=C4N2O.[Cl-]","XCXBTRHZGMBTCY-UHFFFAOYSA-M",54608133,NA,"PDBC46299","658927","Present",NA,NA
+"46300","NSC658962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658962",NA,"CC12CC(NC3=CC=CC=C3N1C(=NO2)C4=CC=CC=C4)C5=CC=CC=C5","MZCPLTSWSRVBOM-OFNKIYASSA-N",377494,NA,"PDBC46300","658962","Present",NA,NA
+"46301","NSC658963",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658963",NA,"CC12CC(NC3=CC=CC=C3N1C(=NO2)C4=CC=CC=C4)C5=CC=CC=C5","MZCPLTSWSRVBOM-REWPJTCUSA-N",6712199,NA,"PDBC46301","658963","Present",NA,NA
+"46302","NSC658993",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658993",NA,"C1CCN(C1)C2CCC3C(C2CC(=O)N3CC4=CC=CC=C4)(O)O","SINUNCSWWDINOL-CGZBRXJRSA-N",6712200,NA,"PDBC46302","658993","Present",NA,NA
+"46303","NSC658998",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658998",NA,"C1=CC=C(C=C1)N2C(=O)C3C(C2=O)ON4C3(C5C(O4)C(=O)N(C5=O)C6=CC=CC=C6)CCCCC#N","UPTACKWVJNZJIM-BFDHWFPYSA-N",377512,NA,"PDBC46303","658998","Present",NA,NA
+"46304","NSC659001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659001",NA,"CC1C(C(=O)C2C13C(CCCC2)C(=C(C3=O)C)C(=O)OC)C(=O)OC","JNPXDBAOOLXSEB-JOUDZAEASA-N",6712202,NA,"PDBC46304","659001","Present",NA,NA
+"46305","NSC659102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659102",NA,"C1=CC=C(C=C1)NC(=O)CC2=CSC3=[N+]2C(=O)C(=CC4=CC=C(C=C4)Cl)S3.[Br-]","IPQRYZYNMQOMEU-HVHKRRFMSA-N",5467780,NA,"PDBC46305","659102","Present",NA,NA
+"46306","NSC659127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659127",NA,"C[NH+](C)CC(=O)NN=CC1=C(C(=CC=C1)OC)O.[Cl-]","UWKMKZQRWDSQKP-FTPOTTDRSA-N",135499404,NA,"PDBC46306","659127","Present",NA,NA
+"46307","NSC659128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659128",NA,"CN(C)C(CN)C1=CC(=C(C(=C1)OC)OC)OC.Cl","FRUKHSCUHARLAD-UHFFFAOYSA-N",377563,NA,"PDBC46307","659128","Present",NA,NA
+"46308","NSC659151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659151",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=NCCC2.Br","UDSBPLVETIDKKR-UHFFFAOYSA-N",377583,NA,"PDBC46308","659151","Present",NA,NA
+"46309","NSC659186",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659186",NA,"C(C=NNC(=S)N)C(C(F)(F)F)(C(F)(F)F)O","VIQYDOCFAGVYKQ-VVHNFQOZSA-N",6374403,NA,"PDBC46309","659186","Present",NA,NA
+"46310","NSC659189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659189",NA,"C(C=NNC(=O)N)C(C(F)(F)Cl)(C(F)(F)Cl)O","LPAVFYYLYJWPGT-VVHNFQOZSA-N",6367599,NA,"PDBC46310","659189","Present",NA,NA
+"46311","NSC659196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659196",NA,"CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])CC(C(F)(F)F)(C(F)(F)F)O","ROFRLYREHGHRDM-SWNXQHNESA-N",5465675,NA,"PDBC46311","659196","Present",NA,NA
+"46312","NSC659197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659197",NA,"CC(C)(CCCCC(C)(C)NCC1COC2=CC=CC=C2O1)NCC3COC4=CC=CC=C4O3.Cl","JZCFMJQVNXUQEY-UHFFFAOYSA-N",377618,NA,"PDBC46312","659197","Present",NA,NA
+"46313","NSC659199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659199",NA,"CC1=CC2=C3C(=C1)CCCN3CCC2.Cl","OWSAKNVQSRMIHP-UHFFFAOYSA-N",377621,NA,"PDBC46313","659199","Present",NA,NA
+"46314","NSC659215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659215",NA,"C1CCC(=NNC(=S)N)C(C1)C(C(F)(F)Cl)(C(F)(F)Cl)O","AWCNYHYGKNOLOT-NGYBGAFCSA-N",5465676,NA,"PDBC46314","659215","Present",NA,NA
+"46315","NSC659217",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659217",NA,"C1CC(C(=NN=C2CCCC2C(C(F)(F)Cl)(C(F)(F)Cl)O)C1)C(C(F)(F)Cl)(C(F)(F)Cl)O","FAYSHFCADZNKIX-ZKODPVERSA-N",54608798,NA,"PDBC46315","659217","Present",NA,NA
+"46316","NSC659223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659223",NA,"C1CC2=CC(=CC3=C2N(C1)CCC3)O.Br","WNMYRKCOPIEARJ-UHFFFAOYSA-N",377644,NA,"PDBC46316","659223","Present",NA,NA
+"46317","NSC659225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659225",NA,"C1=CC=C(C=C1)C(=NN=C(CC(C(F)(F)F)(C(F)(F)F)O)C2=CC=CC=C2)CC(C(F)(F)F)(C(F)(F)F)O","OCYOZXHRTYHUGG-KTGRAOHMSA-N",5362292,NA,"PDBC46317","659225","Present",NA,NA
+"46318","NSC659239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659239",NA,"CCOC1CN(C(=NC2=CC=CC3=CC=CC=C32)S1)C.Br","OBZSHEFUHCQPNJ-UHFFFAOYSA-N",377657,NA,"PDBC46318","659239","Present",NA,NA
+"46319","NSC659247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659247",NA,"CCN(CC)C1=CC2=C3C(=C1)CCCN3CCC2.Cl","UNPTWNVIBKZOFN-UHFFFAOYSA-N",377666,NA,"PDBC46319","659247","Present",NA,NA
+"46320","NSC659250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659250",NA,"C1CCN(CC1)N=C(CC(C(F)(F)F)(C(F)(F)F)O)C2=CC=CS2","UKDFNEMVOUVNKY-UFFVCSGVSA-N",5465683,NA,"PDBC46320","659250","Present",NA,NA
+"46321","NSC659251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659251",NA,"CCNC1=CC2=C3C(=C1)CCN3CCC2.Cl","CEXQTUZPOIQXSI-UHFFFAOYSA-N",377670,NA,"PDBC46321","659251","Present",NA,NA
+"46322","NSC659259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659259",NA,"CC(=O)O.C1CCC2=CC=CC=C2N(CC1)CCN","HQGBJQUVQHPPIQ-UHFFFAOYSA-N",377678,NA,"PDBC46322","659259","Present",NA,NA
+"46323","NSC659262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659262",NA,"CC(=O)O.C1CC2CCC1CN(C2)CCN","CEXAHKCEWNLRRL-UHFFFAOYSA-N",377681,NA,"PDBC46323","659262","Present",NA,NA
+"46324","NSC659267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659267",NA,"CC=CC(=NNC(=S)N)CC(C(F)(F)F)(C(F)(F)F)O","OTWWVVZYHILMOL-JTYLTTRESA-N",6374003,NA,"PDBC46324","659267","Present",NA,NA
+"46325","NSC659271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659271",NA,"C1CCC2=CC=CC=C2N(CC1)CCN=C(N)N.I","ATBZMTNHEFAAIS-UHFFFAOYSA-N",377688,NA,"PDBC46325","659271","Present",NA,NA
+"46326","NSC659291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659291",NA,"CN1C=CN=C1C(C2=C(C=C(C=C2)OC)OC)O","KQGQLLKWJUATFY-UHFFFAOYSA-N",377700,NA,"PDBC46326","659291","Present",NA,NA
+"46327","NSC659340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659340",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(NC(=C(C2=O)C#N)C3=CC=CC=C3)SC","DWQCQIFZMNXHBK-UHFFFAOYSA-N",377749,NA,"PDBC46327","659340","Present",NA,NA
+"46328","NSC659390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659390",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C=NC3=NC(=CS3)C4=CC(=C(C=C4)O)O)O.Cl","MEEQXDOJNJFNON-BDBVDMKRSA-N",135499410,NA,"PDBC46328","659390","Present",NA,NA
+"46329","NSC659424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659424",NA,"CC1=C(SC(=N1)NN=C2NC(=O)C(=CC3=C(C(=CC=C3)OC)O)S2)C(=O)C.Cl","QGQYDNSMOBVCHK-RRAJOLSVSA-N",135499411,NA,"PDBC46329","659424","Present",NA,NA
+"46330","NSC659466",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659466",NA,"C1=CC=C(C=C1)C2(C3=CC=CC=C3C(=CC=C4C(=O)C5=CC=CC=C5C4=O)S2)C6=CC=CC=C6","KISXNKOWALNSTH-VFCFBJKWSA-N",5467831,NA,"PDBC46330","659466","Present",NA,NA
+"46331","NSC659509",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659509",NA,"C1=CC(=C(C=C1C2=CSC(=N2)NC=C(C(=O)N)C(=O)N)Cl)Cl.Cl","HBELABUNJFDDRU-UHFFFAOYSA-N",377886,NA,"PDBC46331","659509","Present",NA,NA
+"46332","NSC659531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659531",NA,"COC1=CC=CC(=C1O)C=C2C(=O)NC(=NNC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])S2","ZMHFZXWJFYPVTJ-SXGWCWSVSA-N",135498095,NA,"PDBC46332","659531","Present",NA,NA
+"46333","NSC659547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659547",NA,"COC1=CC(=CC(=C1O)OC)C2C3=C(CC4N2C(=O)OC4)C5=C(N3)C=CC(=C5)F","VHFRHIVDBVWKMA-HSLMYDHPSA-N",6712206,NA,"PDBC46333","659547","Present",NA,NA
+"46334","NSC659613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659613",NA,"CCOC1=CC=C(C=C1)N=NC2=CC3=C(C=C2)C=C(C(=O)O3)C(=NNC(=O)C(=CC4=CC=C(C=C4)N(CCC#N)CCC#N)C#N)C","TYEUFUBVEZDKAN-YBPSMSGASA-N",9571816,NA,"PDBC46334","659613","Present",NA,NA
+"46335","NSC659615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659615",NA,"CC(=NNC(=O)C(=CC1=CC=C(C=C1)N(CCC#N)CCC#N)C#N)C2=CC=CC=C2","HVGZOUQBMXBZMW-LRIPKGCSSA-N",54608607,NA,"PDBC46335","659615","Present",NA,NA
+"46336","NSC659649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659649",NA,"CCOC(=O)C1=C(OC(=O)C2(C1(C(=C2)Cl)C)OC)C","JCAXUOBZNYMMRW-STQMWFEESA-N",377973,NA,"PDBC46336","659649","Present",NA,NA
+"46337","NSC659650",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659650",NA,"CC1=CC(=O)OC2(C1C3(C2(CC3)C(=O)OC)C(=O)OC)C","KAXXEBSDTBYFRI-MOBHLTHFSA-N",377974,NA,"PDBC46337","659650","Present",NA,NA
+"46338","NSC659732",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659732",NA,"C1CN(C(=S)N1)C=C(C#N)C(=O)C2=CC3=CC=CC=C3C=C2","DOIZNVFBSUQVLL-RVDMUPIBSA-N",3004792,NA,"PDBC46338","659732","Present",NA,NA
+"46339","NSC659754",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659754",NA,"CC(C)C(=NNC(=O)NN=C(C=CC1=CC=C(C=C1)Cl)C(C)C)C=CC2=CC=C(C=C2)Cl","OGFXKULYNBRQQS-VOCBRJDESA-N",6477427,NA,"PDBC46339","659754","Present",NA,NA
+"46340","NSC659755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659755",NA,"CC(C)C(=NNC(=O)NN=C(C=CC1=CC(=C(C=C1)Cl)Cl)C(C)C)C=CC2=CC(=C(C=C2)Cl)Cl","HPEDTLWUJMVBLM-KQXHLETHSA-N",6477428,NA,"PDBC46340","659755","Present",NA,NA
+"46341","NSC659756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659756",NA,"CC(C)C(=NNC(=O)NN=C(C=CC1=CC=C(C=C1)OC)C(C)C)C=CC2=CC=C(C=C2)OC","XWIYUBIKBZDADU-QDEGCUTNSA-N",6477429,NA,"PDBC46341","659756","Present",NA,NA
+"46342","NSC659804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659804",NA,"CC(C)C1=C(C=C2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C)S(=O)(=O)O","IWCWQNVIUXZOMJ-IPNZSQQUSA-N",6712212,NA,"PDBC46342","659804","Present",NA,NA
+"46343","NSC659812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659812",NA,"CC1=C2CCC(C=CCCCC(=C1)O2)OCOC","LFFNVBCSKXQBKU-GQCTYLIASA-N",5467892,NA,"PDBC46343","659812","Present",NA,NA
+"46344","NSC659935",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659935",NA,"CCCCCCCCCCCCCCC(=COCC[N+](C)(C)C)OC(=O)C.CCCCCCCCCCCCCC=C(COCC[N+](C)(C)C)OC(=O)C.[I-].[I-]","BIKBGTXRQVTLPX-IQDFFWEYSA-L",5467899,NA,"PDBC46344","659935","Present",NA,NA
+"46345","NSC659936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659936",NA,"CC1=CC2C(C(CC(=CCC1)C)OC(=O)C(=CCO)CO)C(=C)C(=O)O2","VWJYWGYJIDQUEG-VDUQZFMSSA-N",50990207,NA,"PDBC46345","659936","Present",NA,NA
+"46346","NSC659951",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659951",NA,"COC(=O)C1CC2=C(CN1)C(=C(C=C2)O)O.Cl","JIJLIFHNCDKCAY-UHFFFAOYSA-N",378147,NA,"PDBC46346","659951","Present",NA,NA
+"46347","NSC660019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660019",NA,"C1=CC=C2C(=C1)N=C(S2)C(=CN3C(=O)C(=CC4=CC=C(C=C4)[N+](=O)[O-])SC3=S)C#N","TWGMZRJSYHTIJB-ZCYUMKDRSA-N",54611321,NA,"PDBC46347","660019","Present",NA,NA
+"46348","NSC660230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660230",NA,"COC(=O)C1=CC=C(C=C1)C=C2CCC3=CC=CC=C3C2=O","FHICXGSYUQUFCN-FOWTUZBSSA-N",1550272,NA,"PDBC46348","660230","Present",NA,NA
+"46349","NSC660234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660234",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(=O)NCC(=O)O)N","LYQGRZZILQKUDK-UHFFFAOYSA-N",378278,NA,"PDBC46349","660234","Present",NA,NA
+"46350","NSC660329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660329",NA,"C1=CC=C(C=C1)[P+](CC2=CC=C(S2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-]","SVSBOLLSYJFHAO-UHFFFAOYSA-M",378318,NA,"PDBC46350","660329","Present",NA,NA
+"46351","NSC660419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660419",NA,"C(CSCCSCCC(=NO)N)C(=NO)N","HRNOMMNPXNLFLA-UHFFFAOYSA-N",5467946,NA,"PDBC46351","660419","Present",NA,NA
+"46352","NSC660428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660428",NA,"CCOC(=O)CN=C1C2=CC=CC=C2S(=O)(=O)NN1","HBPVFKPPLBPYFF-UHFFFAOYSA-N",135409153,NA,"PDBC46352","660428","Present",NA,NA
+"46353","NSC660646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660646",NA,"CCOC(=O)C1=C(C(=C2N1C=CC=C2)C3=NC(=NC(=N3)F)OC4=CC5=C(C=C4)C6CCC7(C(C6CC5)CCC7(C#C)O)C)C","PHILXGCQEOAJPP-QLAMDKNKSA-N",378364,NA,"PDBC46353","660646","Present",NA,NA
+"46354","NSC660647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660647",NA,"CN(C)C1=CC=C(C=C1)C(=C2C3=CC=CC=C3C(=O)O2)Br.Br","DXGFDBASGAECGO-GEEYTBSJSA-N",6518044,NA,"PDBC46354","660647","Present",NA,NA
+"46355","NSC660678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660678",NA,"CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-RGWLBATNSA-N",378379,NA,"PDBC46355","660678","Present",NA,NA
+"46356","NSC660679",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660679",NA,"CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-LNHMHFCSSA-N",378380,NA,"PDBC46356","660679","Present",NA,NA
+"46357","NSC660680",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660680",NA,"CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-VRKREXBASA-N",378381,NA,"PDBC46357","660680","Present",NA,NA
+"46358","NSC660681",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660681",NA,"CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-JNPCOIHVSA-N",378382,NA,"PDBC46358","660681","Present",NA,NA
+"46359","NSC660682",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660682",NA,"CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-FQSHHYAASA-N",378383,NA,"PDBC46359","660682","Present",NA,NA
+"46360","NSC660683",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660683",NA,"CCC(CCCCC1CCC2C1CC(=O)C2)OC","KDULJHFMZBRAHO-BCZYQMQZSA-N",378384,NA,"PDBC46360","660683","Present",NA,NA
+"46361","NSC660684",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660684",NA,"CC(=O)C12CC(C1C=CC3=CC=CC=C23)(C#N)N4CCCCCC4","WBPSNDAFOQNRDN-NYLDSWQDSA-N",6712221,NA,"PDBC46361","660684","Present",NA,NA
+"46362","NSC660819",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660819",NA,"CC(C)C1=CC23CCC4C(C2CC1CC3=O)(CCCC4(C)C(=O)OC)C","UHJVGDFZCWFEKB-QWLCNCAFSA-N",6712222,NA,"PDBC46362","660819","Present",NA,NA
+"46363","NSC660821",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660821",NA,"CC(C)C1=CC23CCC4C(C2CC1CC3(C#N)Cl)(CCCC4(C)C(=O)OC)C","XIKQGVFXBDQCPL-VFRPFMERSA-N",6712223,NA,"PDBC46363","660821","Present",NA,NA
+"46364","NSC660833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660833",NA,"CC1(C(C1C2=C(C3(C(C2)CCC3OC(=O)C4=CC=CC=C4)C)N5CCOCC5)C#N)C","DYKSYXPSOORRKF-DKGPXOCYSA-N",378414,NA,"PDBC46364","660833","Present",NA,NA
+"46365","NSC660842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660842",NA,"C1=CC=C(C=C1)CC(=O)N[N+]2=CN(N=C2)CC(=O)O.[Br-]","NPMGWKVPHCSERX-UHFFFAOYSA-N",24202448,NA,"PDBC46365","660842","Present",NA,NA
+"46366","NSC660853",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660853",NA,"CN(C(=O)C(=NOC)C1=CSC(=N1)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)N5C=NN=C5","ZKOUAHFQPFLHFW-IVQJCJPDSA-N",5465772,NA,"PDBC46366","660853","Present",NA,NA
+"46367","NSC660969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660969",NA,"CC=CC(C(=O)OC)N1C(C2=CC=CC=C2C1=O)O","MGNGPOJVSYDLDW-CXILLOQGSA-N",5467959,NA,"PDBC46367","660969","Present",NA,NA
+"46368","NSC660970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660970",NA,"CC(=C)C(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O","HFRCGCXKKFUADN-NSHDSACASA-N",378438,NA,"PDBC46368","660970","Present",NA,NA
+"46369","NSC661005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661005",NA,NA,NA,NA,NA,"PDBC46369","661005","Present",NA,NA
+"46370","NSC661067",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661067",NA,"CN(C)CCCN=C1C2=CC=CC=C2N(C3=CC=CC=C31)O.Cl.[Cl-]","VFXXZBPIQWYLOE-UHFFFAOYSA-M",54608177,NA,"PDBC46370","661067","Present",NA,NA
+"46371","NSC661071",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661071",NA,"CC1=CC(=C(C=C1Cl)Cl)S(=O)(=O)NC2=NNC(=N2)N.[Na+]","UJCYREMGJRISCD-UHFFFAOYSA-N",54602048,NA,"PDBC46371","661071","Present",NA,NA
+"46372","NSC661107",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661107",NA,"CC(C)CN1C=NN=C1NS(=O)(=O)C2=C(C=C(C(=C2)C(=O)NN)Cl)S","TVZFXCPCPLNCHC-UHFFFAOYSA-N",378507,NA,"PDBC46372","661107","Present",NA,NA
+"46373","NSC661108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661108",NA,"CN(C)C1=NC(=NCC2=CC=CC=C2)SS1.Br","STOZLSZOPMMDAY-UHFFFAOYSA-N",378508,NA,"PDBC46373","661108","Present",NA,NA
+"46374","NSC661109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661109",NA,"CN(C)C1=NC(=NCC2=CC=CC=N2)SS1.Br","DNQFYZSQYXDJRW-UHFFFAOYSA-N",378510,NA,"PDBC46374","661109","Present",NA,NA
+"46375","NSC661110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661110",NA,"CN(C)C1=NC(=NCC2=CC=CS2)SS1.Br","BQUMDURJWIQSOG-UHFFFAOYSA-N",378512,NA,"PDBC46375","661110","Present",NA,NA
+"46376","NSC661111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661111",NA,"CN(C)C1=NC(=NCC2=CN=CC=C2)SS1.Br","BLTRZIQSYMBMDH-UHFFFAOYSA-N",378514,NA,"PDBC46376","661111","Present",NA,NA
+"46377","NSC661112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661112",NA,"CN(C)C1=NC(=NCC2=CC=NC=C2)SS1.Br","PJZIIIJLXURFNF-UHFFFAOYSA-N",378516,NA,"PDBC46377","661112","Present",NA,NA
+"46378","NSC661113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661113",NA,"CN(C)C1=NC(=NCC2=CC(=C(C(=C2)OC)OC)OC)SS1.Br","CDSJWQZOOCJRPA-UHFFFAOYSA-N",378518,NA,"PDBC46378","661113","Present",NA,NA
+"46379","NSC661192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661192",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC(=N)N)OC.Cl","ZNJUMMAQFGZTNY-SZKNIZGXSA-N",5467967,NA,"PDBC46379","661192","Present",NA,NA
+"46380","NSC661210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661210",NA,"C1C(C(C(OC1C2=CC=CC=C2)COCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","PWGCIYZSXZNVPZ-YOIJXYMPSA-N",378570,NA,"PDBC46380","661210","Present",NA,NA
+"46381","NSC661211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661211",NA,"CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=CC=C3)OCC4=CC=CC=C4)O)OCC5=CC=CC=C5)OCC6=CC=CC=C6","PZJBNNYOUSAXQC-XJUCERLSSA-N",378571,NA,"PDBC46381","661211","Present",NA,NA
+"46382","NSC661212",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661212",NA,"CC1C(C(C=C(O1)C2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","ZMOQRVMCRJKIHI-GMLZKYASSA-N",378572,NA,"PDBC46382","661212","Present",NA,NA
+"46383","NSC661213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661213",NA,"C1=CC=C(C=C1)COCC2C(C(C=C(O2)C3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","HIGGIZGZNWCSID-NWBPNMJXSA-N",378573,NA,"PDBC46383","661213","Present",NA,NA
+"46384","NSC661254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661254",NA,NA,NA,NA,NA,"PDBC46384","661254","Present",NA,NA
+"46385","NSC661428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661428",NA,"CC(=O)OCC12CCC3C4(CCCC(C4CCC3(C1CC(O2)C5=CC(=O)OC5O)C)(C)C)C","VSNRQJCSNGQROZ-APZDHCIUSA-N",378635,NA,"PDBC46385","661428","Present",NA,NA
+"46386","NSC661438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661438",NA,"C1CC2=CC=CC=C2CC1=NNC(=O)NN=C3CCC4=CC=CC=C4C3","PQJQIEQYWXYVAC-WDAKLKSISA-N",9571824,NA,"PDBC46386","661438","Present",NA,NA
+"46387","NSC661445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661445",NA,"CC1=CC=C(C=C1)C=CC(=NNC(=O)NN=C(C=CC2=CC=C(C=C2)C)C(C)C)C(C)C","KNNOUVKDRPRHOJ-CEIQDMHBSA-N",6477436,NA,"PDBC46387","661445","Present",NA,NA
+"46388","NSC661446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661446",NA,"CC(C)(CN1CCCCC1)C(=NNC(=O)NN=C(C=CC2=CC(=C(C=C2)Cl)Cl)C(C)(C)CN3CCCCC3)C=CC4=CC(=C(C=C4)Cl)Cl.Cl","WERMCEMHENTLKG-HIXVOCSMSA-N",9571825,NA,"PDBC46388","661446","Present",NA,NA
+"46389","NSC661447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661447",NA,"CC1=CC=C(C=C1)C=CC(=NNC(=O)NN=C(C=CC2=CC=C(C=C2)C)C(C)(C)CN3CCCCC3)C(C)(C)CN4CCCCC4.Cl","PWCRDRXQBDSFNB-XCZADHCKSA-N",9571826,NA,"PDBC46389","661447","Present",NA,NA
+"46390","NSC661448",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661448",NA,"CC(C)(CN1CCCCC1)C(=NNC(=O)NN=C(C=CC2=CC=C(C=C2)OC)C(C)(C)CN3CCCCC3)C=CC4=CC=C(C=C4)OC.Cl","MZMXDBGVORYNBI-MUGMOYCWSA-N",9571827,NA,"PDBC46390","661448","Present",NA,NA
+"46391","NSC661464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661464",NA,"CC(C(=NO)C1=CC=CO1)NO.CC(=O)O","NKUBGOTYOXUHOI-VILQZVERSA-N",9571828,NA,"PDBC46391","661464","Present",NA,NA
+"46392","NSC661580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661580",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)OC(=O)CN)OC.Cl","UFSJDEXOGNZPSC-MOUWKAAGSA-N",5467999,NA,"PDBC46392","661580","Present",NA,NA
+"46393","NSC661820",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661820",NA,"CCN(CC)CCN1C2=C(C3=C(C=C2)C=NN3CCN(CC)CC)C(=O)C4=C1N=CC=C4.Cl","LZPUNZDLUTWNML-UHFFFAOYSA-N",378715,NA,"PDBC46393","661820","Present",NA,NA
+"46394","NSC661821",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661821",NA,"CCN(CC)CCN1C2=CC3=C(C=C2C(=O)C4=C1N=CC=C4)OCO3.Cl","XUOMSPBUMLEWRJ-UHFFFAOYSA-N",378717,NA,"PDBC46394","661821","Present",NA,NA
+"46395","NSC661822",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661822",NA,"CCN(CC)CCN1C2=CC3=C(C=C2C(=O)C4=C1N=CC=C4)OCCO3.Cl","ABNGYDJLTJGQLK-UHFFFAOYSA-N",378719,NA,"PDBC46395","661822","Present",NA,NA
+"46396","NSC661829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661829",NA,"CN(C)C=C(C(=O)C1=CC=CC=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4","AUNHDDKRLIDOBH-NCELDCMTSA-N",15155823,NA,"PDBC46396","661829","Present",NA,NA
+"46397","NSC661831",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661831",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.CN1CCC2(CC1)C3=CC(=C(C=C3CC(O2)C(=O)OC)O)O","AVYAXVISHKWSGM-UQKRIMTDSA-N",378729,NA,"PDBC46397","661831","Present",NA,NA
+"46398","NSC661834",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661834",NA,"CC(C1=CC=CC=C1)N2CN(C(C2=O)CO)C(=O)OCC3=CC=CC=C3","FPBXZYZWVPTLNA-BUSXIPJBSA-N",378734,NA,"PDBC46398","661834","Present",NA,NA
+"46399","NSC661835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661835",NA,"CC(C1=CC=CC=C1)N2CN(C(CC2=O)(C)C)C(=O)OCC3=CC=CC=C3","DSSTVSKHEDQUCZ-KRWDZBQOSA-N",378735,NA,"PDBC46399","661835","Present",NA,NA
+"46400","NSC661958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661958",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=O)NC(=CC4=CC5=C(C=C4)OCO5)C(=O)N3","CDEAAFXXXDBRBZ-ACFHMISVSA-N",5340006,NA,"PDBC46400","661958","Present",NA,NA
+"46401","NSC661965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661965",NA,"CCOC(=O)C12CC(C13C4=CC(=C(C=C4CCN3C(=O)C2O)OC)OC)(C=C)O[Si](C)(C)C","SRUOJTLHSHQXHT-RXUSZAQGSA-N",6712236,NA,"PDBC46401","661965","Present",NA,NA
+"46402","NSC661966",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661966",NA,"CCOC(=O)C12CC(C13C4=CC(=C(C=C4CCN3C(=O)C2=O)OC)OC)(C=COC)O[Si](C)(C)C","GRRFWAVLOBBWBM-BQFPIMMCSA-N",11970069,NA,"PDBC46402","661966","Present",NA,NA
+"46403","NSC661967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661967",NA,"CCOC(=O)C12CC(C13C4=CC(=C(C=C4CCN3C(=O)C2O)OC)OC)(C=COC)O[Si](C)(C)C","PHUOHFFITWDRJU-ZZLBPTMPSA-N",11970070,NA,"PDBC46403","661967","Present",NA,NA
+"46404","NSC661968",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC661968",NA,"C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CCC(=O)NC(CSC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46)C(=O)NCC(=O)O)C(=O)O.[Na+]","KZKYCSAPBXCBCI-UHFFFAOYSA-N",54611737,NA,"PDBC46404","661968","Present",NA,NA
+"46405","NSC662121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662121",NA,"C1(C(C(=O)C2=C(SC(=C21)Cl)Cl)O)N.Cl","UAEVWKZFGMXUFE-UHFFFAOYSA-N",378801,NA,"PDBC46405","662121","Present",NA,NA
+"46406","NSC662125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662125",NA,"C1CCN(C1)C2=C3C(=C(S2)Br)C(C(C3=O)O)N.Cl","IKWBHSPXGHHCAH-UHFFFAOYSA-N",378806,NA,"PDBC46406","662125","Present",NA,NA
+"46407","NSC662151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662151",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)N)C)N=O","ZNAJKVUCFKJSMJ-UHFFFAOYSA-N",378833,NA,"PDBC46407","662151","Present",NA,NA
+"46408","NSC662154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662154",NA,"CC(C(=O)O)NC1=NC(=C(C(=O)N1C)N=O)N.[K+]","XYEVYFGGMPCSTC-DFWYDOINSA-N",54602106,NA,"PDBC46408","662154","Present",NA,NA
+"46409","NSC662254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662254",NA,NA,NA,NA,NA,"PDBC46409","662254","Present",NA,NA
+"46410","NSC662255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662255",NA,NA,NA,NA,NA,"PDBC46410","662255","Present",NA,NA
+"46411","NSC662256",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662256",NA,NA,NA,NA,NA,"PDBC46411","662256","Present",NA,NA
+"46412","NSC662257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662257",NA,NA,NA,NA,NA,"PDBC46412","662257","Present",NA,NA
+"46413","NSC662258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662258",NA,NA,NA,NA,NA,"PDBC46413","662258","Present",NA,NA
+"46414","NSC662259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662259",NA,NA,NA,NA,NA,"PDBC46414","662259","Present",NA,NA
+"46415","NSC662431",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662431",NA,"CC(=CC1=CC=CC=C1)C=C(C#N)C(=O)N","OWRPWVGVNQKDTI-SMTGYRLFSA-N",5468017,NA,"PDBC46415","662431","Present",NA,NA
+"46416","NSC662432",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662432",NA,"C1=COC(=C1)C=CC=C(C#N)C(=O)N","WGDXRTUQAVLUTM-CBZARTANSA-N",6374857,NA,"PDBC46416","662432","Present",NA,NA
+"46417","NSC662435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662435",NA,"CC1=CC=C(C=C1)C(=CC(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)SC5=CC=CC=C5","RNUBPBPAMLOMDU-AFUMVMLFSA-N",50990122,NA,"PDBC46417","662435","Present",NA,NA
+"46418","NSC662447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662447",NA,"CC1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3SC2=NCS(=O)(=O)C4=CC=C(C=C4)C)O","SJQCUJKDLRVGRU-GTZNUUOLSA-N",135509148,NA,"PDBC46418","662447","Present",NA,NA
+"46419","NSC662826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC662826",NA,"CC(C)CC(=O)CC(C)C1(C2CCCC23CC4(CCN3C1=O)OCCO4)CCCOCC5=CC=CC=C5","VSBKPDQDVBOUFO-HQLRRCMFSA-N",6712249,NA,"PDBC46419","662826","Present",NA,NA
+"46420","NSC663245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663245",NA,"COC(=O)C=C(C(=O)OC)SC=C(C1=CC=CC=C1)N2CCN3C2=C(C(=C3C(=O)C4=CC=CC=C4)C(=O)OC)C(=O)OC","WQYHLUMMWFVIAJ-XGBWRMQCSA-N",5468047,NA,"PDBC46420","663245","Present",NA,NA
+"46421","NSC663246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663246",NA,"C1CN(C2=C(C(=C(N21)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C(=CSC(=CC(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7)C8=CC=CC=C8","QMKVBAZPHZSXQV-GMROEKFNSA-N",5468048,NA,"PDBC46421","663246","Present",NA,NA
+"46422","NSC663247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663247",NA,"CC1C2C(=O)NC(C3=NC(C(O3)C)C(=O)NC(C4=NC(C(O4)C)C(=O)NC(C5=NC(C(O5)C)C(=O)NC(C(=N2)O1)C(C)C)C(C)C)C(C)C)C(C)C","ZMDHMHAXKZMQOZ-JCLGROOQSA-N",379072,NA,"PDBC46422","663247","Present",NA,NA
+"46423","NSC663312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663312",NA,"C1=CC=C2C(=C1)C(OC2=O)C(C3=CN=CC=C3)O","BRJQGOZCCGYHKL-PZORYLMUSA-N",379099,NA,"PDBC46423","663312","Present",NA,NA
+"46424","NSC663404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663404",NA,NA,NA,NA,NA,"PDBC46424","663404","Present",NA,NA
+"46425","NSC663405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663405",NA,NA,NA,NA,NA,"PDBC46425","663405","Present",NA,NA
+"46426","NSC663406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663406",NA,NA,NA,NA,NA,"PDBC46426","663406","Present",NA,NA
+"46427","NSC663409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663409",NA,"COC1=C(C=C2C(=C1)CCC(=CC3=CC=C(C=C3)Cl)C2=O)OC","ROWSXJQYCFVLOY-NTEUORMPSA-N",5468058,NA,"PDBC46427","663409","Present",NA,NA
+"46428","NSC663410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663410",NA,"COC1=C(C=C2C(=C1)CCC(=CC3=CC=C(C=C3)O)C2=O)OC","WYIOQJSFVUARED-NTEUORMPSA-N",5468059,NA,"PDBC46428","663410","Present",NA,NA
+"46429","NSC663411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663411",NA,"COC1=CC=C(C=C1)C=C2CCC3=CC(=C(C=C3C2=O)OC)OC","DTZFIRFWUCAVSH-XNTDXEJSSA-N",5468060,NA,"PDBC46429","663411","Present",NA,NA
+"46430","NSC663412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663412",NA,"COC1=C(C=C2C(=C1)CCC(=CC3=CC=C(C=C3)[N+](=O)[O-])C2=O)OC","MUOGNEATFIWRKB-NTEUORMPSA-N",5468061,NA,"PDBC46430","663412","Present",NA,NA
+"46431","NSC663413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663413",NA,"CN(C)C1=CC=C(C=C1)C=C2CCC3=CC(=C(C=C3C2=O)OC)OC","QMCSVXFJCZVAJB-LFIBNONCSA-N",5468062,NA,"PDBC46431","663413","Present",NA,NA
+"46432","NSC663547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663547",NA,"CC(=C1CCOC1=O)NC2=CC(=CC=C2)OC","YDJSYIKTEDQCHR-XFXZXTDPSA-N",5468063,NA,"PDBC46432","663547","Present",NA,NA
+"46433","NSC663615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663615",NA,"C[N+](C)(C1=C(C(=C(C(=N1)N)C#N)C#N)C#N)N.[Cl-]","CZKKVAFFOJXZHD-UHFFFAOYSA-M",379203,NA,"PDBC46433","663615","Present",NA,NA
+"46434","NSC663634",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663634",NA,"C1COC(=N1)NCCC2=CC=CC3=CC=CC=C32.Br","YQAOMIODAQUJDD-UHFFFAOYSA-N",379217,NA,"PDBC46434","663634","Present",NA,NA
+"46435","NSC663636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663636",NA,"CC(C)(CCCCC(C)(C)NC1=NCCO1)NC2=NCCO2.Br","ODHIEBFMIPMWHN-UHFFFAOYSA-N",379220,NA,"PDBC46435","663636","Present",NA,NA
+"46436","NSC663642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663642",NA,"CCN(CC)CCN1C2=CC=CC=C2N=C1CC3=CC(=C(C=C3)OC)OC.Cl","RXZNAJADEIPVSV-UHFFFAOYSA-N",379227,NA,"PDBC46436","663642","Present",NA,NA
+"46437","NSC663662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663662",NA,"CC1=C2C(C3C(C1)C(=O)OC3=O)N(C4=CC=CC=C42)C(=O)C=CC(=O)O","FJSQBCXGDFKBPB-HNYGSPFISA-N",54604779,NA,"PDBC46437","663662","Present",NA,NA
+"46438","NSC663669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663669",NA,"COC1=CC2=C(C=C1)OC(C(C2=O)(NC3=CC=C(C=C3)C=O)OC)(C4=CC=C(C=C4)[N+](=O)[O-])OC","JODSMLPBXCWQCF-JWQCQUIFSA-N",6712256,NA,"PDBC46438","663669","Present",NA,NA
+"46439","NSC663670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663670",NA,"COC1(C(C(=O)C2=CC=CC=C2O1)(NC3=CC=C(C=C3)C=O)OC)C4=CC=C(C=C4)[N+](=O)[O-]","IVWSZDFBKRCIFR-DNQXCXABSA-N",6712257,NA,"PDBC46439","663670","Present",NA,NA
+"46440","NSC663793",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663793",NA,"CCN1C(=O)CSC1=NNC(=O)C(C2CC=CC=C2)(C3=CC=CC=C3)O","AFIORSMYUUEYRN-DYTRJAOYSA-N",5465830,NA,"PDBC46440","663793","Present",NA,NA
+"46441","NSC663794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663794",NA,"C=CCN1C(=O)CSC1=NNC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O","QEIRGPFASQRMME-ZBJSNUHESA-N",5465831,NA,"PDBC46441","663794","Present",NA,NA
+"46442","NSC663855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663855",NA,"C1CCC(CC1)C(C2CCCCC2)C(=O)NCCCCCN3CCC4(CCCCC4)CC3.Cl","SZLXLBDYPSWFSO-UHFFFAOYSA-N",379298,NA,"PDBC46442","663855","Present",NA,NA
+"46443","NSC663882",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663882",NA,"C1=CC=C(C=C1)CP(=O)(O)OCC(C(C(C(C=O)O)O)O)O.N","ASCGVYIMJZKOIT-UHFFFAOYSA-N",379336,NA,"PDBC46443","663882","Present",NA,NA
+"46444","NSC663918",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663918",NA,"CC1(C(=NC(N1O)(C)C)C(=[N+](C(=O)C2=CC=C(C=C2)F)[O-])Cl)C","YYYYOPNGIQTWFK-UNOMPAQXSA-N",54611334,NA,"PDBC46444","663918","Present",NA,NA
+"46445","NSC663923",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663923",NA,"CC(C)(C(=NO)C1=CC=CO1)NO","IEDNMVLLYRUTFY-CLFYSBASSA-N",5465833,NA,"PDBC46445","663923","Present",NA,NA
+"46446","NSC663924",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663924",NA,"CC(=O)O.C1CCC(C(=NO)CC1)NO","NLYYRIWAFIMBPT-VILQZVERSA-N",5480837,NA,"PDBC46446","663924","Present",NA,NA
+"46447","NSC663927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663927",NA,"CCC(=NNC(=S)N)C(=NO)C","NBERQTINSJRNGR-TVXUUACXSA-N",135509156,NA,"PDBC46447","663927","Present",NA,NA
+"46448","NSC663938",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663938",NA,"CC1(C(=NC(N1O)(C)C)C(=[N+](C(=O)C2=CC=CC=C2)[O-])C#N)C","PWMCYOFPYIWFFO-XDHOZWIPSA-N",5468090,NA,"PDBC46448","663938","Present",NA,NA
+"46449","NSC663939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663939",NA,"CC1(C(=NC(N1O)(C)C)C(=[N+](C(=O)C2=CC=C(C=C2)Cl)[O-])Cl)C","TWGZYKHEQAMYIM-UNOMPAQXSA-N",5468091,NA,"PDBC46449","663939","Present",NA,NA
+"46450","NSC663948",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663948",NA,"C1CC(=NO)C(=NNC2=CC=CC=C2)C3=NON=C31","GFLIUWMYRGYJFD-UFRGALIOSA-N",135400549,NA,"PDBC46450","663948","Present",NA,NA
+"46451","NSC663949",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663949",NA,"C1CC(=NO)C(=NN)C2=NON=C21","DDOGFELTDZPGFS-NITIKTIDSA-N",135509158,NA,"PDBC46451","663949","Present",NA,NA
+"46452","NSC663959",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663959",NA,"C1CC(=NN)C2=NO[N+](=C2C1)[O-]","ABMNJJVCQWLTHR-XBXARRHUSA-N",5409526,NA,"PDBC46452","663959","Present",NA,NA
+"46453","NSC663962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663962",NA,"C1CC2=NO[N+](=C2C(=NO)C1)[O-]","UKOVCVQBLSFKFX-QPJJXVBHSA-N",135509159,NA,"PDBC46453","663962","Present",NA,NA
+"46454","NSC663964",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663964",NA,"C1CC2=[N+](ON=C2C(=NNC3=CC=CC=C3)C1=NO)[O-]","YFXLAGXFGCCWIV-UFRGALIOSA-N",135509160,NA,"PDBC46454","663964","Present",NA,NA
+"46455","NSC663968",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC663968",NA,"CC(=O)ON=C1C=CC2=[N+](ON=C2C1=O)[O-]","NFZSJXTYTCVSEP-WEVVVXLNSA-N",5465834,NA,"PDBC46455","663968","Present",NA,NA
+"46456","NSC664011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664011",NA,"CC(=O)N1C(=O)N(C(=O)C12CCN3CCC4=CC(=C(C=C4C3C2)OC)OC)C5=CC=CC=C5","JAYCKXDLLPVWKA-GBAXHLBXSA-N",6712258,NA,"PDBC46456","664011","Present",NA,NA
+"46457","NSC664016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664016",NA,"CCOC(=O)C1=C(C(C(=CC2=CC=CC3=C2N=CC=C3)C1=O)C(=O)OC)C","ZTPYJOXNVLBGPP-PTNGSMBKSA-N",6143849,NA,"PDBC46457","664016","Present",NA,NA
+"46458","NSC664159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664159",NA,"CC=C(C)C(=O)OC1CC(CC2C1(CCC3(C2=CCC4C3(CCC5C46CCC(C5(C)C)(OC6)O)C)C)C(=O)O)(C)C","RSKOPEQHBSFOLQ-QGLZAHMOSA-N",11970077,NA,"PDBC46458","664159","Present",NA,NA
+"46459","NSC664160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664160",NA,"CC(=CC(=O)OC1CC(CC2C1(CCC3(C2=CCC4C3(CCC5C46CCC(C5(C)C)(OC6)O)C)C)C(=O)O)(C)C)C","HGMVESCHSMFWDD-XKTKIDCUSA-N",6712261,NA,"PDBC46459","664160","Present",NA,NA
+"46460","NSC664162",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664162",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C=C1)C=NN=C(N)NO)O","DTFIKDFEHWKRPZ-HMXKFKBXSA-N",135509161,NA,"PDBC46460","664162","Present",NA,NA
+"46461","NSC664163",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664163",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C(=C1)OC)C=NN=C(N)NO)O","RDUDGZXGDVGELN-NKPNRJPBSA-N",135435106,NA,"PDBC46461","664163","Present",NA,NA
+"46462","NSC664164",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664164",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=C(C=C(C(=C1C=NN=C(N)NO)O)I)I","GQWSHSQTFHPRAK-QXKVDVGOSA-N",135509162,NA,"PDBC46462","664164","Present",NA,NA
+"46463","NSC664165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664165",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C1C(F)(F)F)NC=C(C2=O)C=NN=C(N)NO","RZMMPYNVGUKMJA-RZFZGDDESA-N",135509163,NA,"PDBC46463","664165","Present",NA,NA
+"46464","NSC664178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664178",NA,"C1CC2CCC1CN(C2)CCN=C(N)N.OS(=O)(=O)O","CEJODLMONKNFGF-UHFFFAOYSA-N",379520,NA,"PDBC46464","664178","Present",NA,NA
+"46465","NSC664180",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664180",NA,"CCNC1=CC2=C3C(=C1)CCCN3CCC2.Cl","LCQCJMXOSFUHAR-UHFFFAOYSA-N",379522,NA,"PDBC46465","664180","Present",NA,NA
+"46466","NSC664194",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664194",NA,"CC(=O)C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC.Cl","RKDBZYYAOAKHRH-GJGIAIRRSA-N",11970078,NA,"PDBC46466","664194","Present",NA,NA
+"46467","NSC664289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664289",NA,"CC(=O)C1CC23C=CC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC","DGSADVAMZWFCMP-VDGPIWNASA-N",379595,NA,"PDBC46467","664289","Present",NA,NA
+"46468","NSC664294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664294",NA,"CC(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)OC)O4)C)OC)O","MKWFKXIKUBABHP-BREPIIRTSA-N",379599,NA,"PDBC46468","664294","Present",NA,NA
+"46469","NSC664298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664298",NA,"CC(CC1=CC=CC=C1)NC2=NCCO2","NCVYXOYOFVEKCJ-UHFFFAOYSA-N",294280,NA,"PDBC46469","664298","Present",NA,NA
+"46470","NSC664329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664329",NA,"C1=CC(=CC(=C1)Cl)C(=NO)CC(C(F)(F)F)(C(F)(F)F)O","GVPYPKOPSXHWPD-UFWORHAWSA-N",5351423,NA,"PDBC46470","664329","Present",NA,NA
+"46471","NSC664405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664405",NA,"C1CN2C(C(C(O2)(F)F)C3=CC=CC=C3)C4=CC=CC=C41","PKNIFHJWRPTHIT-AAFJCEBUSA-N",6712272,NA,"PDBC46471","664405","Present",NA,NA
+"46472","NSC664406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664406",NA,"C1CN2C(C(C2=O)C3=CC=CC=C3)C4=CC=CC=C41","YVSATFZLGPYTDN-AAFJCEBUSA-N",6712273,NA,"PDBC46472","664406","Present",NA,NA
+"46473","NSC664535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664535",NA,"C1CCC2=C(C1)C=CC(=C2)N=C3N(CCO3)CCCl.Cl","ILACPISGZQVGBJ-UHFFFAOYSA-N",379656,NA,"PDBC46473","664535","Present",NA,NA
+"46474","NSC664542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664542",NA,"C(C(=CCl)Cl)SC#N.C(C(=CCl)Cl)SC#N","URUYSWJJQBZLBY-RBKZGRRVSA-N",5468114,NA,"PDBC46474","664542","Present",NA,NA
+"46475","NSC664552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664552",NA,"CN(C)C=C1CCC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]","KNKORHOLTZAGFJ-CSKARUKUSA-N",3033794,NA,"PDBC46475","664552","Present",NA,NA
+"46476","NSC664556",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664556",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1OC2=C(O1)C=C(C=C2)C=NN=C(N)NO","PJZAZUXDFXNADM-SODSUQDMSA-N",9571849,NA,"PDBC46476","664556","Present",NA,NA
+"46477","NSC664557",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664557",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=CC(=C1OC)OC)C=NN=C(N)NO","BXLZZGISWXMRLG-AWFSDRIXSA-N",9571851,NA,"PDBC46477","664557","Present",NA,NA
+"46478","NSC664558",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664558",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=C(C(=C(C=C1)C=NN=C(N)NO)OC)OC","DIQNFHFNEDFOKS-AWFSDRIXSA-N",9571853,NA,"PDBC46478","664558","Present",NA,NA
+"46479","NSC664559",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664559",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C(=C1)OC)C=NN=C(N)NO)OC","XKCYXAAFDWLLLF-AWFSDRIXSA-N",9571855,NA,"PDBC46479","664559","Present",NA,NA
+"46480","NSC664560",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664560",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.COC1=CC(=C(C=C1C=NN=C(N)NO)OC)OC","BAPVECGMHOPHDR-AWFSDRIXSA-N",9571857,NA,"PDBC46480","664560","Present",NA,NA
+"46481","NSC664576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664576",NA,"CC1(CC2C(N1C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C(=O)OC","LHLBHWPRGUKPKV-IAYYMHMVSA-N",6712279,NA,"PDBC46481","664576","Present",NA,NA
+"46482","NSC664688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664688",NA,"C1=CC=C(C=C1)C(=C2C=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C=O","XSQHXGFTMYMKMT-BMRADRMJSA-N",5468129,NA,"PDBC46482","664688","Present",NA,NA
+"46483","NSC664691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664691",NA,"CN(C)C1COC2CC3=CC=CC=C3C1O2.Cl","ZFRRJGBAOASYCD-UHFFFAOYSA-N",379716,NA,"PDBC46483","664691","Present",NA,NA
+"46484","NSC664697",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664697",NA,"C1CN=C(N(C1=O)CCC2=CNC3=CC=CC=C32)NC(=O)N.Br","AOFWHQZSPNPRGZ-UHFFFAOYSA-N",379721,NA,"PDBC46484","664697","Present",NA,NA
+"46485","NSC664699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664699",NA,"C1CNC(N(C1=O)CCC2=CNC3=CC=CC=C32)N.Br","HSWDVCKYMAJVRS-UHFFFAOYSA-N",379724,NA,"PDBC46485","664699","Present",NA,NA
+"46486","NSC664703",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664703",NA,"CC1OCC(C(O1)C2C(N=C(O2)C3=CC=CC=C3)CO)O","LSNBAJZNCWDXGF-DHEYHYBUSA-N",379729,NA,"PDBC46486","664703","Present",NA,NA
+"46487","NSC664867",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664867",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)[N+](=O)[O-])C(=O)CC(=O)NC(=O)C=CC3=CC=CC=C3","MAOPWWYONTVTMB-SYHFPXANSA-N",54602107,NA,"PDBC46487","664867","Present",NA,NA
+"46488","NSC664868",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664868",NA,"CC(=O)N(C1=CC=C(C=C1)Cl)C(=O)CC(=O)NN=CC2=CC(=C(C=C2)Br)N(CCC#N)CCC#N","VVIKFCFRJNSTNP-MWLSYYOVSA-N",6156870,NA,"PDBC46488","664868","Present",NA,NA
+"46489","NSC664869",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664869",NA,"C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=O)CC(=O)NN=CC3=C(C=CC(=C3)N=NC4=CC=CC=C4Cl)O","FLWSLQDKSRAEOV-JFRXMMCJSA-N",135509166,NA,"PDBC46489","664869","Present",NA,NA
+"46490","NSC664870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664870",NA,"C1=CC=C(C=C1)C(=O)N(C2=CC=C(C=C2)Cl)C(=O)CC(=O)NN=CC3=CC=CC=C3O","MPNKGKIPPKYMHS-MYYYXRDXSA-N",135509167,NA,"PDBC46490","664870","Present",NA,NA
+"46491","NSC664874",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664874",NA,"C1=CC=C(C=C1)C=CC(=O)N(C2=CC=C(C=C2)Cl)C(=O)CC(=O)N3C(=O)C(C(=N3)C4=CC=CC=C4)N=NC5=CC(=CC=C5)[N+](=O)[O-]","IBFXPWCSHKJVQR-QXWMKUIQSA-N",54608762,NA,"PDBC46491","664874","Present",NA,NA
+"46492","NSC664878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664878",NA,"COC1=C(C=C2C(=C1)CCC(=CC3=CC=CC=C3)C2=O)OC","NRYSCBHMHARBCL-XNTDXEJSSA-N",5468133,NA,"PDBC46492","664878","Present",NA,NA
+"46493","NSC664885",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664885",NA,"C1C(C=CC1N2C=NC3=C(N=CN=C32)N)COS(=O)(=O)N","XFKWYFKSQWBXQJ-UHFFFAOYSA-N",379793,NA,"PDBC46493","664885","Present",NA,NA
+"46494","NSC664890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664890",NA,"C1C(C=CC1N2C3=NC=NC(=C3N=N2)N)COS(=O)(=O)N","LLTFYYUWFUKENP-UHFFFAOYSA-N",379798,NA,"PDBC46494","664890","Present",NA,NA
+"46495","NSC664985",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664985",NA,"CN1C2CCC1C(CC2)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC","RCYQXSCEIUPTHM-RUXDESIVSA-N",379851,NA,"PDBC46495","664985","Present",NA,NA
+"46496","NSC664999",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664999",NA,"C1CCC(CC1)N2C(=NN=N2)C3(CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F)NC5=CC=CC=C5.Cl","NSOAQSAJPVFRKK-UHFFFAOYSA-N",379860,NA,"PDBC46496","664999","Present",NA,NA
+"46497","NSC665001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665001",NA,"COC1=CC(=CC(=C1OC)OC)C2NCCC(N2)(C3=CC=CC=C3)C4=CC=CC=C4.Cl","WTAKZDOUASCSIP-UHFFFAOYSA-N",379863,NA,"PDBC46497","665001","Present",NA,NA
+"46498","NSC665078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665078",NA,"C(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)[N+](=O)[O-]","FLKXTZSOAHMIPV-IWQZZHSRSA-N",54608934,NA,"PDBC46498","665078","Present",NA,NA
+"46499","NSC665080",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665080",NA,"C(#N)SC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])Cl","GVCUXNOKYQGIHH-HYXAFXHYSA-N",6172755,NA,"PDBC46499","665080","Present",NA,NA
+"46500","NSC665090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665090",NA,"C(CNC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl)NC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","DEEQFYOKPSNONG-OZDSWYPASA-N",5468141,NA,"PDBC46500","665090","Present",NA,NA
+"46501","NSC665092",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665092",NA,"CC(C)(C)NC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])NC(C)(C)C","DZDGZBNSRLGWHL-CLFYSBASSA-N",45024025,NA,"PDBC46501","665092","Present",NA,NA
+"46502","NSC665101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665101",NA,"C1=CC=C(C=C1)CSC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])Cl","BDZVOXQORILTKA-LUAWRHEFSA-N",12556281,NA,"PDBC46502","665101","Present",NA,NA
+"46503","NSC665115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665115",NA,"C(C(=NO)C(=C(Cl)Cl)Cl)(Cl)Cl","VNCUOSHBYVGDSR-SGAXSIHGSA-N",5465851,NA,"PDBC46503","665115","Present",NA,NA
+"46504","NSC665126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665126",NA,"C1=CC=C(C=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C=CC5=CC=C(C=C5)[N+](=O)[O-]","TXOPJXIIAAMQKX-JLHYYAGUSA-N",6305573,NA,"PDBC46504","665126","Present",NA,NA
+"46505","NSC665287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665287",NA,"CN1CCC2=C(C1)C3=C(C=CC=C3N2)CCCN(C)C.Cl","QPYDPCVJPLOJBK-UHFFFAOYSA-N",379980,NA,"PDBC46505","665287","Present",NA,NA
+"46506","NSC665288",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665288",NA,"C1CN(CC2=C1NC3=CC=CC(=C23)CCCC(=O)C4=CC=C(C=C4)F)CC5=CC=CC=C5.Cl","FBNMOJGLLWGOOK-UHFFFAOYSA-N",379982,NA,"PDBC46506","665288","Present",NA,NA
+"46507","NSC665292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665292",NA,"CN1C2=CC=CC=C2C(=O)NC13CCN(CC3)CCCC(=O)C4=CC=C(C=C4)F.Cl","YEKLQWDABDBJEI-UHFFFAOYSA-N",379987,NA,"PDBC46507","665292","Present",NA,NA
+"46508","NSC665293",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665293",NA,"C1CN(CCC12NC(=O)C3=CC=CC=C3O2)CCCC(=O)C4=CC=C(C=C4)F.Cl","RSIUTLCYCDQAIU-UHFFFAOYSA-N",379989,NA,"PDBC46508","665293","Present",NA,NA
+"46509","NSC665301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665301",NA,"COC1=CC2=C(C=C1)C3=C(N2)CCN(C3)CC4=CC=CC=C4.Cl","FTCUSTNDBIQYMG-UHFFFAOYSA-N",379999,NA,"PDBC46509","665301","Present",NA,NA
+"46510","NSC665302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665302",NA,"C1CNCC2=C1NC3=C2C=CC(=C3)F.Cl","SVTBBWMIZAXQQI-UHFFFAOYSA-N",380001,NA,"PDBC46510","665302","Present",NA,NA
+"46511","NSC665303",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665303",NA,"C1CN(CC2=C1NC3=C2C=CC(=C3)F)CC4=CC=CC=C4.Cl","PRWWYTALRJNEON-UHFFFAOYSA-N",380003,NA,"PDBC46511","665303","Present",NA,NA
+"46512","NSC665304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665304",NA,"C1CN(CC2=C1NC3=C2C=CC(=C3)F)CCCC4(OCCO4)C5=CC=C(C=C5)F.Cl","AJBAFCHCPFFEHM-UHFFFAOYSA-N",380005,NA,"PDBC46512","665304","Present",NA,NA
+"46513","NSC665305",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665305",NA,"CN1CCC2(CC1)C(=NC3CCCCC3)NC(=O)N2C4=CC=CC=C4.Cl","JLQNLLLZVABDJM-UHFFFAOYSA-N",135450439,NA,"PDBC46513","665305","Present",NA,NA
+"46514","NSC665306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665306",NA,"C1CN(CC2=C1NC3=C2C=CC(=C3)F)CCCC(=O)C4=CC=C(C=C4)F.Cl","FHYYYXAXQGNNKZ-UHFFFAOYSA-N",380009,NA,"PDBC46514","665306","Present",NA,NA
+"46515","NSC665309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665309",NA,"COC1=C(C(=C2C(=C1)C3=C(N2)CCN(C3)CC4=CC=CC=C4)OC)OC.Cl","UTCMWTULFOTAQH-UHFFFAOYSA-N",380013,NA,"PDBC46515","665309","Present",NA,NA
+"46516","NSC665312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665312",NA,"C1CN(CCC12C(=O)NC(=O)N2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F.Cl","DVRUZOULJXDHCV-UHFFFAOYSA-N",380017,NA,"PDBC46516","665312","Present",NA,NA
+"46517","NSC665319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665319",NA,"C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OC3CCN(CC3)CCCC(=O)C4=CC=CC=C4)O.Cl","WNCSPSCKMKGMMN-UHFFFAOYSA-N",380024,NA,"PDBC46517","665319","Present",NA,NA
+"46518","NSC665323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665323",NA,"CCC(=O)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)N3CCOCC3.Cl","SCJXGBZOJSESOL-UHFFFAOYSA-N",380027,NA,"PDBC46518","665323","Present",NA,NA
+"46519","NSC665324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665324",NA,"CCC(=O)C(CCN1CCC2(CCCC3=CC=CC=C32)CC1)(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)O)O","DRZCBAHULALFNW-UHFFFAOYSA-N",380028,NA,"PDBC46519","665324","Present",NA,NA
+"46520","NSC665327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665327",NA,"C1CN(CCC12CC(OC2=O)C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F.Cl","BMIYJZCVEJEDQZ-UHFFFAOYSA-N",380032,NA,"PDBC46520","665327","Present",NA,NA
+"46521","NSC665333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665333",NA,"CC(C)CN1CN(C2(C1=O)CCN(CC2)CC(C)(C3OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl","LYAHIHRNVIZSCF-UHFFFAOYSA-N",380036,NA,"PDBC46521","665333","Present",NA,NA
+"46522","NSC665337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665337",NA,"CN1C2CCC1C(C(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)Cl)C(=O)OC.Cl","PVQRSUUDFSSQJS-UHFFFAOYSA-N",380041,NA,"PDBC46522","665337","Present",NA,NA
+"46523","NSC665338",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665338",NA,"CC(C)C=CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O","LFEGCLWKAFYJIE-FLIBITNWSA-N",5468144,NA,"PDBC46523","665338","Present",NA,NA
+"46524","NSC665342",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665342",NA,"CN1CCC=C(C1)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O.Cl","FDZJDLPDBOUGJL-UHFFFAOYSA-N",380045,NA,"PDBC46524","665342","Present",NA,NA
+"46525","NSC665349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665349",NA,"C1CC(=CC2=CC=CC=C2)C(=O)C3=C1C=CC(=C3)[N+](=O)[O-]","GBZUAPFUZMEKIT-GXDHUFHOSA-N",5468148,NA,"PDBC46525","665349","Present",NA,NA
+"46526","NSC665350",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665350",NA,"C1CC(=CC2=CC=C(C=C2)O)C(=O)C3=C1C=CC(=C3)[N+](=O)[O-]","HQPCYRNRNQFHJH-UKTHLTGXSA-N",1223185,NA,"PDBC46526","665350","Present",NA,NA
+"46527","NSC665352",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665352",NA,"C1CC(=CC2=CC=CC3=CC=CC=C32)C(=O)C4=C1C=CC(=C4)[N+](=O)[O-]","GXKBZJFUAYNHNQ-SFQUDFHCSA-N",5468149,NA,"PDBC46527","665352","Present",NA,NA
+"46528","NSC665369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665369",NA,"C1CCN(CC1)CCNCCC2=CC=C(C=C2)Br.Cl","NCSSCZYVENPVJY-UHFFFAOYSA-N",380067,NA,"PDBC46528","665369","Present",NA,NA
+"46529","NSC665370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665370",NA,"CCN(CC)CCN(C)CCC1=CC=C(C=C1)Br.Br","ZVHUXXMTLVTKCN-UHFFFAOYSA-N",380069,NA,"PDBC46529","665370","Present",NA,NA
+"46530","NSC665371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665371",NA,"CN(CCC1=CC=C(C=C1)Br)CCN2CCCCC2.Br","IRLIXMKZWHLEAI-UHFFFAOYSA-N",380071,NA,"PDBC46530","665371","Present",NA,NA
+"46531","NSC665379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665379",NA,"COC1=C(C=CC(=C1)C=C2CCC3=CC=CC=C3C2=O)O","GHRBLBVVQILNGN-GXDHUFHOSA-N",5468152,NA,"PDBC46531","665379","Present",NA,NA
+"46532","NSC665481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665481",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)OC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","AHGSBULIKYTJJP-UHFFFAOYSA-N",380083,NA,"PDBC46532","665481","Present",NA,NA
+"46533","NSC665482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665482",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)OC","ZGBKEOLAPVBJFC-UHFFFAOYSA-N",380084,NA,"PDBC46533","665482","Present",NA,NA
+"46534","NSC665528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665528",NA,"C1CC2=C(C(=CC(=C2)Cl)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])NC1","HTRWQGQGXMEVTO-UHFFFAOYSA-N",380126,NA,"PDBC46534","665528","Present",NA,NA
+"46535","NSC665542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665542",NA,"CC12C(N(C(=O)N1C(COC2=O)C3=CC=CC=C3)CC4=CC=CC=C4)CO","YUDCZMRBZQLQPY-OPYAIIAOSA-N",380140,NA,"PDBC46535","665542","Present",NA,NA
+"46536","NSC665624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665624",NA,"C1CC(=NNC(=O)NN=C2CCC3=CC=CC=C32)C4=CC=CC=C41","XJCBKFUZKIYYKV-PHEFWILJSA-N",9571859,NA,"PDBC46536","665624","Present",NA,NA
+"46537","NSC665629",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665629",NA,"CC(C)C(=NNC(=S)NN)C=CC1=CC=CC=C1","XVUQSJBHVRFVJF-YCBPJFTGSA-N",6037014,NA,"PDBC46537","665629","Present",NA,NA
+"46538","NSC665630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665630",NA,"CC(C)C(=NNC(=S)NN)C=CC1=CC=C(C=C1)Cl","VTLQMLSUPNJTPZ-PCECAMATSA-N",6302573,NA,"PDBC46538","665630","Present",NA,NA
+"46539","NSC665631",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665631",NA,"CC(C)C(=O)CC(C1=CC=CC=C1)SC2=CC=C(C=C2)N.Cl","TYEKIYIOMFQTQX-UHFFFAOYSA-N",380188,NA,"PDBC46539","665631","Present",NA,NA
+"46540","NSC665699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665699",NA,"CC1(CCCCCCCCCC(C1=O)(C)CC=C)CC=C","SDWQRGAGGRZOHA-BGYRXZFFSA-N",6712284,NA,"PDBC46540","665699","Present",NA,NA
+"46541","NSC665706",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665706",NA,"CC1(C2=CC(=C(C=C2CCN1)OC)OC)C(C(C(C)(C)O)O)O","OZIMZSMSNSUPFN-DQPZFDDXSA-N",380230,NA,"PDBC46541","665706","Present",NA,NA
+"46542","NSC665708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665708",NA,"CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCC(CC2)(C3=CC=CC=C3)O.C(=O)(C(=O)O)O","OPKVOJLJVUYGEN-UHFFFAOYSA-N",120614,NA,"PDBC46542","665708","Present",NA,NA
+"46543","NSC665709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665709",NA,"CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCC(CC2)(C3=CC(=CC=C3)C(F)(F)F)O.Cl","YVQHEGJCQAWRJE-UHFFFAOYSA-N",380231,NA,"PDBC46543","665709","Present",NA,NA
+"46544","NSC665717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665717",NA,"C1CC(=O)NC(=O)C1C(=O)OC2CN3CCC2CC3.Cl","GXKDJZKYSUZMLC-UHFFFAOYSA-N",380237,NA,"PDBC46544","665717","Present",NA,NA
+"46545","NSC665727",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665727",NA,"C1CN(CCC12C(=O)N(C(=O)O2)C3=CC=CC=C3)CCCC(=O)C4=CC=CC=C4.Cl","QQFIOHBGHQZLAZ-UHFFFAOYSA-N",380246,NA,"PDBC46545","665727","Present",NA,NA
+"46546","NSC665729",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665729",NA,"C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3(CCSCC3)O.Cl","CPZMRLXDYVRZGC-UHFFFAOYSA-N",380249,NA,"PDBC46546","665729","Present",NA,NA
+"46547","NSC665736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665736",NA,"CCOC(=O)N(C)C1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=CC=C3.Cl","WEOZFWIHKXUUCI-UHFFFAOYSA-N",380256,NA,"PDBC46547","665736","Present",NA,NA
+"46548","NSC665737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665737",NA,"CC=CC(C1CCCCC1)(C(=O)OC2CCN(CC2)C)O","MGXDQTQGWGFXKM-JYOAFUTRSA-N",5468171,NA,"PDBC46548","665737","Present",NA,NA
+"46549","NSC665738",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665738",NA,"CC=CC(C1CCCCC1)(C(=O)OC2CN3CCC2CC3)O","AAGWGNWTWBWIPB-SGAXSIHGSA-N",5468172,NA,"PDBC46549","665738","Present",NA,NA
+"46550","NSC665740",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665740",NA,"CC(C)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","HRNOKYRZXFRVGD-UHFFFAOYSA-N",380261,NA,"PDBC46550","665740","Present",NA,NA
+"46551","NSC665742",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665742",NA,"CCCN1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","AYLCBZJLNBPUDH-UHFFFAOYSA-N",380264,NA,"PDBC46551","665742","Present",NA,NA
+"46552","NSC665744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665744",NA,"CCC=CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O","HCWJBVIFDNMRAA-KMKOMSMNSA-N",5468173,NA,"PDBC46552","665744","Present",NA,NA
+"46553","NSC665746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665746",NA,"CC=CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O","KFIKGORTYFCONO-MBXJOHMKSA-N",5468175,NA,"PDBC46553","665746","Present",NA,NA
+"46554","NSC665763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665763",NA,"CC=CC(C1CCCC1)(C(=O)OC2C(N3CCC2CC3)C)O","LIECQYLYFBNBJE-IBRPLKNJSA-N",5468177,NA,"PDBC46554","665763","Present",NA,NA
+"46555","NSC665765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665765",NA,"CCCCC=CC(C1=CC=CC=C1)(C(=O)OC2CN3CCC2CC3)O","JKPUZMZDECKYBD-JYRVWZFOSA-N",5468178,NA,"PDBC46555","665765","Present",NA,NA
+"46556","NSC665771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665771",NA,"CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","YWLLNDLWZAXFHQ-UHFFFAOYSA-N",380289,NA,"PDBC46556","665771","Present",NA,NA
+"46557","NSC665778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665778",NA,"C1CCCN(CC1)N2C(=O)CC3(C2=O)CCN(CC3)CC4COC5=CC=CC=C5O4.Cl","WYAQPYBCAYDWTH-UHFFFAOYSA-N",380297,NA,"PDBC46557","665778","Present",NA,NA
+"46558","NSC665787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665787",NA,"CC1C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)OC(=O)N1C.Cl","XILOGGVQEWBPKP-UHFFFAOYSA-N",380305,NA,"PDBC46558","665787","Present",NA,NA
+"46559","NSC665789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665789",NA,"CCN1CN(C2(C1=O)CCN(CC2)CC(CC3OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl","UQUZLEJSVIQZIN-UHFFFAOYSA-N",380308,NA,"PDBC46559","665789","Present",NA,NA
+"46560","NSC665791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665791",NA,"CN1CN(C2(C1=O)CCN(CC2)CCCN(C)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","SFMCJBPTBFNTNE-UHFFFAOYSA-N",380311,NA,"PDBC46560","665791","Present",NA,NA
+"46561","NSC665804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665804",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3C=CCN3C(=O)C(C)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","SDFIROAOIOUHKX-BRNRUIPFSA-N",380320,NA,"PDBC46561","665804","Present",NA,NA
+"46562","NSC665805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665805",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CC(CN3C(=O)C(C)O)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","RHKBSXYAXHKXEG-BBAJFZNZSA-N",380321,NA,"PDBC46562","665805","Present",NA,NA
+"46563","NSC665806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665806",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CC(CN3)O)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O","DCKHYMCBBYLYHE-ZMRKGEOASA-N",380322,NA,"PDBC46563","665806","Present",NA,NA
+"46564","NSC665819",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665819",NA,"COC1=C(C=C2C3C4=CC=CC=C4CCN3CCCC2=C1)OC.OCl(=O)(=O)=O","KKQZJPLWOUOAPG-UHFFFAOYSA-N",13804926,NA,"PDBC46564","665819","Present",NA,NA
+"46565","NSC665862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665862",NA,"CCN1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","MDZFKPNXDLGZKN-UHFFFAOYSA-N",380334,NA,"PDBC46565","665862","Present",NA,NA
+"46566","NSC665863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665863",NA,"CN1CN(C2(C1=O)CCN(CC2)CCCCCCF)C3=CC=CC=C3.Cl","XUUMQRAAASPPCD-UHFFFAOYSA-N",380336,NA,"PDBC46566","665863","Present",NA,NA
+"46567","NSC665868",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665868",NA,"CCC(C)N1CN(C2(C1=O)CCN(CC2)CC3COC4=CC=CC=C4O3)C5=CC=CC=C5.Cl","YWOAJRUIISYBGT-UHFFFAOYSA-N",380340,NA,"PDBC46567","665868","Present",NA,NA
+"46568","NSC665869",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665869",NA,"CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","WZBOIJSQUUPANG-UHFFFAOYSA-N",380342,NA,"PDBC46568","665869","Present",NA,NA
+"46569","NSC665870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665870",NA,"CCC(C)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl","DGIHAGDZGFDIBK-UHFFFAOYSA-N",380344,NA,"PDBC46569","665870","Present",NA,NA
+"46570","NSC665876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665876",NA,"CN1C(CCCC1CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)CC(C4=CC=CC=C4)O.Cl","BVJXCTHMBWFSME-UHFFFAOYSA-N",380350,NA,"PDBC46570","665876","Present",NA,NA
+"46571","NSC665877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665877",NA,"C1CC1C(C2=CC=CC=C2)(C(=O)OCC3=CCC(CC3)N)O.Cl","STDVTOJSGNPGJU-UHFFFAOYSA-N",380352,NA,"PDBC46571","665877","Present",NA,NA
+"46572","NSC665879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665879",NA,"CCN(CC)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC3(OCCO3)C4=CC=C(C=C4)F)C5=CC=CC=C5.Cl","PISFASLLWCKOGS-UHFFFAOYSA-N",380356,NA,"PDBC46572","665879","Present",NA,NA
+"46573","NSC665881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665881",NA,"CCN(CC)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCSC3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","BBYDWWVEULYVDU-UHFFFAOYSA-N",380359,NA,"PDBC46573","665881","Present",NA,NA
+"46574","NSC665887",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665887",NA,"CNC(=O)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C4=CC=CC=C4.Cl","IQBBWFFCFSPVNO-UHFFFAOYSA-N",380364,NA,"PDBC46574","665887","Present",NA,NA
+"46575","NSC665892",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665892",NA,"CC(C)C(C1=CC=CC=C1)(C(=O)OC=C2CC3CCN2CC3)O.Cl","DXDRPTBRICYLJP-IWSIBTJSSA-N",5468186,NA,"PDBC46575","665892","Present",NA,NA
+"46576","NSC665893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665893",NA,"CC(C)C(C1=CC=CC=C1)(C(=O)OCC2=CC3CCN2CC3)O.Cl","HHJXPMQZAIFHGJ-UHFFFAOYSA-N",380375,NA,"PDBC46576","665893","Present",NA,NA
+"46577","NSC665895",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665895",NA,"C1CCC(C1)C(C2=CC=CC=C2)(C(=O)OCCC3=C4CCN(C3)CC4)O.Cl","BPLVRQNFBPFXPM-UHFFFAOYSA-N",380378,NA,"PDBC46577","665895","Present",NA,NA
+"46578","NSC665897",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665897",NA,"CNC(=O)ON=C1C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)N(CN1C)C4=CC=CC=C4.Cl","ZXWSUCJNHCWVRY-PSVMXRHTSA-N",9571860,NA,"PDBC46578","665897","Present",NA,NA
+"46579","NSC665904",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665904",NA,"C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N3CC(CC3C(=O)NCC(=O)N)O","DYGFLFRSHCZWFN-UHFFFAOYSA-N",380387,NA,"PDBC46579","665904","Present",NA,NA
+"46580","NSC665905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665905",NA,"C1C(CN(C1C(=O)NCC(=O)N)C(=O)OCC2=CC=CC=C2)OCCC(=O)O","CGMFOUZDKNWLIZ-KGLIPLIRSA-N",380388,NA,"PDBC46580","665905","Present",NA,NA
+"46581","NSC665906",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665906",NA,"C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)N3CC(CC3C(=O)NCC(=O)N)OCCC(=O)O","VUUVQKJLHXDCFV-ABHNRTSZSA-N",380389,NA,"PDBC46581","665906","Present",NA,NA
+"46582","NSC665915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665915",NA,"CC1(C2CC1C3=CN=C(C=C3C2CCCCCC4C5CC(C5(C)C)C6=CN=C(C=C46)C7=CC=CC=N7)C8=CC=CC=N8)C","UMTNNIPQMSWQED-CPMKJYBBSA-N",6712285,NA,"PDBC46582","665915","Present",NA,NA
+"46583","NSC665916",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665916",NA,"CC(=NNC(=S)N(C)C)C1=NN=CC=C1","KPEKCTFBTWLDON-YRNVUSSQSA-N",5465856,NA,"PDBC46583","665916","Present",NA,NA
+"46584","NSC666036",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666036",NA,"CN1CC(=CC2=CC=C(C=C2)OC)C(=O)C(=CC3=CC=C(C=C3)OC)C1.Cl","WSEGIQFRIZFEMT-VIWUVAGBSA-N",5468194,NA,"PDBC46584","666036","Present",NA,NA
+"46585","NSC666037",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666037",NA,"CN1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1.Cl","CLCJQXBEHIRFGW-UUHMWQSOSA-N",5468195,NA,"PDBC46585","666037","Present",NA,NA
+"46586","NSC666039",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666039",NA,"CN1CC(=CC2=CC=CC=C2)C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4.Cl","CHMAUIANXKBHFR-KCUXUEJTSA-N",5468198,NA,"PDBC46586","666039","Present",NA,NA
+"46587","NSC666078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666078",NA,"C1=CC(=NC(=C1)NC2=NC(=NC3=CC=CC(=N3)N)C4=C2C=C(C(=C4)C#N)C#N)N","GGJYSNLKJPPLHB-UHFFFAOYSA-N",6475176,NA,"PDBC46587","666078","Present",NA,NA
+"46588","NSC666098",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666098",NA,"CC1(CCC2(C(C1)CCC3(C2CC(C(C3(C)O)O)O)C)C)C=C","WGQXFKYPNJSSNV-RSFLROBPSA-N",6712288,NA,"PDBC46588","666098","Present",NA,NA
+"46589","NSC666099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666099",NA,"CC=C(C)C(=O)OC(CC(C)C1CC(OC1=O)C2=COC=C2)C3(C(=O)CCC4C3(O4)C)C","BIFKZMRQMUVZIN-URDIXDQLSA-N",54608173,NA,"PDBC46589","666099","Present",NA,NA
+"46590","NSC666100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666100",NA,"CC1CC(=O)C2(C3(C(O3)CCC2(C14CC(OC4=O)C5=COC=C5)O)C)C","DCWMPDIKJVJVTN-OETSQEMGSA-N",6712290,NA,"PDBC46590","666100","Present",NA,NA
+"46591","NSC666107",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666107",NA,"CC1C(C2=C(O1)C3=C(C=CC=C3OC2=O)C)(C)CC4C=C(C(=O)O4)C","FUFWOZXBFXQBAK-GRFSXMBSSA-N",6712291,NA,"PDBC46591","666107","Present",NA,NA
+"46592","NSC666108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666108",NA,"CC1C2(CC3C4C25C(=O)OC6=CC=CC(=C6C5(C4(C(=O)O3)C)O1)C)C","LQWKCEWXDVNHSN-GTPKTLKUSA-N",6712292,NA,"PDBC46592","666108","Present",NA,NA
+"46593","NSC666109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666109",NA,"CC1CC(OC1=O)CC2(C(OC3=C2C(=O)OC4=CC=CC=C43)C)C","ZMKRODNVESYSPD-WUVPNGRZSA-N",6712293,NA,"PDBC46593","666109","Present",NA,NA
+"46594","NSC666110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666110",NA,"CC1=C2C(=CC=C1)OC(=O)C3=C2OC4(CC3(C)C=C)C=C(C(O4)O)CO","PBJOCNBYKSMQMJ-SYYJFZTOSA-N",6712294,NA,"PDBC46594","666110","Present",NA,NA
+"46595","NSC666111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666111",NA,"CC(=C)C(=O)OC1CC(C2CC=C(C2C3C1C(=C)C(=O)O3)CO)COC(=O)C","ZQPFGMDYYNTUEJ-GIEYKRTMSA-N",380496,NA,"PDBC46595","666111","Present",NA,NA
+"46596","NSC666112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666112",NA,"CC1=CCC2C1C3C(C(CC2COC(=O)C)OC(=O)C(=C)C)C(=C)C(=O)O3","UNGPWPFVTZJHKP-UXJMZZSFSA-N",380497,NA,"PDBC46596","666112","Present",NA,NA
+"46597","NSC666113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666113",NA,"CC(=C)C(=O)OC1CC2(C(O2)CCC(=CC3C1C(=C)C(=O)O3)COC(=O)C)CO","GFLCDEMBDDXLFO-IKXOXGKJSA-N",5468206,NA,"PDBC46597","666113","Present",NA,NA
+"46598","NSC666114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666114",NA,"CC(=C)C(=O)OC1CC(=CCCC(=C)C(C2C1C(=C)C(=O)O2)OC(=O)C)CO","OVXNZQBVUMIAGK-ZXFPPPRQSA-N",5468207,NA,"PDBC46598","666114","Present",NA,NA
+"46599","NSC666123",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666123",NA,"CC1=CC(=C2C=C(C(=C2C(=C1)C)C(=CC(=O)OC)C(=O)OC)C)C","NQQXWUGNDZLMOY-MHWRWJLKSA-N",5468210,NA,"PDBC46599","666123","Present",NA,NA
+"46600","NSC666157",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666157",NA,"CC1C(C2CCCN2O1)C(=O)N3C4CC5CCC4(C5(C)C)CS3(=O)=O","FDPRDAHOVZKQDN-DXQMLTRVSA-N",380551,NA,"PDBC46600","666157","Present",NA,NA
+"46601","NSC666170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666170",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)Cl)C(=O)NN2C4=NNC5(C6=CC=CC=C6C7=CC=CC=C75)C(=O)N4","QETSMULIVAOTPT-NLRVBDNBSA-N",135509168,NA,"PDBC46601","666170","Present",NA,NA
+"46602","NSC666171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666171",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)O)C(=O)NN2C4=NNC5(C6=CC=CC=C6C7=CC=CC=C75)C(=O)N4","YBFNCFNHNUCSIP-NLRVBDNBSA-N",135485803,NA,"PDBC46602","666171","Present",NA,NA
+"46603","NSC666172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666172",NA,"COC1=C(C=CC(=C1)C=C2C(=O)NN(C(=N2)C3=CC=CC=C3)C4=NNC5(C6=CC=CC=C6C7=CC=CC=C75)C(=O)N4)O","VYWHZZHEZRDFNN-KOEQRZSOSA-N",135509169,NA,"PDBC46603","666172","Present",NA,NA
+"46604","NSC666174",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666174",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC5=NN6C(N5N4)NN=C(C6=O)C=CC7=CC=C(C=C7)Cl","QQWWLDJIZOKBBU-SDNWHVSQSA-N",135509170,NA,"PDBC46604","666174","Present",NA,NA
+"46605","NSC666175",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666175",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC5=NNC(=S)N5N4","CNUSVQAACORKOK-UHFFFAOYSA-N",3549094,NA,"PDBC46605","666175","Present",NA,NA
+"46606","NSC666297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666297",NA,"COC1=CC=C(C=C1)C=CC(=O)CC(=O)C=CC2=CC=C(C=C2)OC","JFOLIEXFFOBCSM-LQIBPGRFSA-N",5469423,NA,"PDBC46606","666297","Present",NA,NA
+"46607","NSC666363",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666363",NA,"COC1=CC(=C(C(=C1)OC)C=NNC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC","RFILMEWFEGRKGZ-MYYYXRDXSA-N",6474329,NA,"PDBC46607","666363","Present",NA,NA
+"46608","NSC666388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666388",NA,"C1C=CC(=O)OC1CC(CC(=O)C=CC2=CC=CC=C2)O","BAJICORABIZDNM-MTQIJDFFSA-N",5468230,NA,"PDBC46608","666388","Present",NA,NA
+"46609","NSC666389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666389",NA,"CC1CC(C(C(C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6","SMHKNMFYOFQODR-DGXXZDOQSA-N",380687,NA,"PDBC46609","666389","Present",NA,NA
+"46610","NSC666402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666402",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(CC2(CCC4C3CC4(C)C)C)O","BSQVUDMFVHHRDL-FCDQGJHFSA-N",9556165,NA,"PDBC46610","666402","Present",NA,NA
+"46611","NSC666404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666404",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCCCCCCCCCC2CN(C)C","NVUSBBZSCHERAZ-GHVJWSGMSA-N",5465869,NA,"PDBC46611","666404","Present",NA,NA
+"46612","NSC666449",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666449",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3CC4CC(C3)C2C4","DJQRNONZIDNZMM-WUKNDPDISA-N",5465873,NA,"PDBC46612","666449","Present",NA,NA
+"46613","NSC666521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666521",NA,"C1CC2C(CCCC2=O)C(C1)O","MZGZZGABVHCNSV-UEJVZZJDSA-N",380802,NA,"PDBC46613","666521","Present",NA,NA
+"46614","NSC666522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666522",NA,"CC12CCCC(=O)C1(CCC2=O)C","VUDORAKYVLDCOV-NFJWQWPMSA-N",380803,NA,"PDBC46614","666522","Present",NA,NA
+"46615","NSC666523",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666523",NA,"CC12CCC(=O)C1(CCCC2O)C","NMKDLFHRWGOBSA-LDGBHUKOSA-N",380804,NA,"PDBC46615","666523","Present",NA,NA
+"46616","NSC666525",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666525",NA,"CC=CC1(CC2C1CCCC2)OC(=O)C3=CC=CC=C3","STSGVNZJFQQJBS-XQZZVBEXSA-N",11970087,NA,"PDBC46616","666525","Present",NA,NA
+"46617","NSC666527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666527",NA,"CC(=C)C1(CC2C1CCCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","YIKFTRCBMFOFHB-IWEFOYFVSA-N",6712300,NA,"PDBC46617","666527","Present",NA,NA
+"46618","NSC666528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666528",NA,"CC1(CC2C1CCCC2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","RNBHHMHAYSEBMU-JMPLFQLZSA-N",6712301,NA,"PDBC46618","666528","Present",NA,NA
+"46619","NSC666543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666543",NA,"C1CC2CC(=O)CCC23CC(=O)OC3C1","QOPGYXFUNBRGFI-FVIPRIBZSA-N",380821,NA,"PDBC46619","666543","Present",NA,NA
+"46620","NSC666544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666544",NA,"C1CC2CC3(CCC24CC(=O)OC4C1)OCCO3","WMALBTVORGWWAC-ZNVNOEFISA-N",380822,NA,"PDBC46620","666544","Present",NA,NA
+"46621","NSC666545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666545",NA,"C1CC2C3(CCC(=O)C=C3C1)CC(=O)O2","SPBCLBYDKFLSBW-PWSUYJOCSA-N",380823,NA,"PDBC46621","666545","Present",NA,NA
+"46622","NSC666546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666546",NA,"C1CC2C3(CCC4(CC3=C1)OCCO4)CC(=O)O2","ZQXHCTYZNCAYNJ-YPMHNXCESA-N",380824,NA,"PDBC46622","666546","Present",NA,NA
+"46623","NSC666547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666547",NA,"C=CCC12CCC(=O)C=C1CCCC2=O","HBBRHQLTEFRJFN-CYBMUJFWSA-N",380825,NA,"PDBC46623","666547","Present",NA,NA
+"46624","NSC666548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666548",NA,"CC1C(=O)CCC2(C1(CCCC2=O)O)C","JXLHXCLQVODFAG-HBWJCNCUSA-N",380826,NA,"PDBC46624","666548","Present",NA,NA
+"46625","NSC666549",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666549",NA,"CC12CCCC(C1(CCC2=O)C)(C=C)O","JBJFXAFSWSKQET-YPHAAILGSA-N",6712302,NA,"PDBC46625","666549","Present",NA,NA
+"46626","NSC666550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666550",NA,"CC12CCC3(C=C1CCCC2(C#C)O)SCCS3","FKQNKVYSCWYQNO-ZIAGYGMSSA-N",380828,NA,"PDBC46626","666550","Present",NA,NA
+"46627","NSC666551",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666551",NA,"CC1CCC(C(C12CC=CC2=O)C)O","QMJLIZMVHVEKOK-SKMKEBHYSA-N",380829,NA,"PDBC46627","666551","Present",NA,NA
+"46628","NSC666552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666552",NA,"C1CC2C(CCC3C1C(=O)C3(Cl)Cl)C(C2=O)(Cl)Cl","OJSQVYQBBPSAHU-AEMDVCDZSA-N",380830,NA,"PDBC46628","666552","Present",NA,NA
+"46629","NSC666676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666676",NA,"CC(C)(C=CP(=O)(C)C1=CC=CC=C1)O","NIPXRPWOSZSPPP-KTKRTIGZSA-N",5468244,NA,"PDBC46629","666676","Present",NA,NA
+"46630","NSC666677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666677",NA,"CC(C)(C=CP(=O)(O)O)O.[K+]","XGZFMHRJQBJEPL-LNKPDPKZSA-N",54608763,NA,"PDBC46630","666677","Present",NA,NA
+"46631","NSC666688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666688",NA,"CC1(CSCC(C(=NN)C1=NN)(C)C)C","IYJYMSFBCJIDPX-FNCQTZNRSA-N",6869869,NA,"PDBC46631","666688","Present",NA,NA
+"46632","NSC666689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666689",NA,"CC1(CS(=O)(=O)CC(C(=NN)C1=NN)(C)C)C","RIOOGMHAJUMYKG-FNCQTZNRSA-N",9571861,NA,"PDBC46632","666689","Present",NA,NA
+"46633","NSC666723",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666723",NA,"COC(=O)C1=CC(=C(C=C1)S)S(=O)(=O)NC2=NNC(=N2)N","YDTWPQPIUFAGTC-UHFFFAOYSA-N",380937,NA,"PDBC46633","666723","Present",NA,NA
+"46634","NSC666726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666726",NA,"CC1(OCC(C(CO1)O)C#N)C","XEUJWYSNNKRFIW-RNFRBKRXSA-N",380940,NA,"PDBC46634","666726","Present",NA,NA
+"46635","NSC666727",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666727",NA,"CC(=C)C1CCC(C(C1)C#N)(C)O","XMSSLEJRRCPSEN-QXXIUIOUSA-N",380941,NA,"PDBC46635","666727","Present",NA,NA
+"46636","NSC666728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666728",NA,"CC(C)(C)OCC(CC#N)O","QMZBRCSTFKEQPV-SSDOTTSWSA-N",380942,NA,"PDBC46636","666728","Present",NA,NA
+"46637","NSC666730",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666730",NA,"CC1(OCC(C(CO1)Br)O)C","XRMJIYPEOLDAGW-PHDIDXHHSA-N",380944,NA,"PDBC46637","666730","Present",NA,NA
+"46638","NSC666739",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666739",NA,"CC(C(CCCCCCC=CCC=CCC=CCC=CC=CC(CC=CCC(C(C)N)O)O)O)N","SRMFEHHBFSEVCX-CJDZMNEYSA-N",5468254,NA,"PDBC46638","666739","Present",NA,NA
+"46639","NSC666758",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666758",NA,"C1C(OC2=CC=CC=C2C1=NNC3=CC=CC=C3)C4=CC=CC=C4","LYCGIKKLCIAWGJ-FCDQGJHFSA-N",5465884,NA,"PDBC46639","666758","Present",NA,NA
+"46640","NSC666768",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666768",NA,"CC1CC(=CC2=CC(=C(C=C2)O)O)C(=O)C(=CC3=CC(=C(C=C3)O)O)C1","BCVQJUKSDDVUFY-BVXMOGEKSA-N",5468264,NA,"PDBC46640","666768","Present",NA,NA
+"46641","NSC666769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666769",NA,"CC1CC(=CC2=CC=C(C=C2)OC(=O)C(C)(C)C)C(=O)C(=CC3=CC=C(C=C3)OC(=O)C(C)(C)C)C1","ZOSUNYJIKNVMNW-KBQFLUNPSA-N",5468265,NA,"PDBC46641","666769","Present",NA,NA
+"46642","NSC666848",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666848",NA,"CC1(C2CCC3C(C2(CCC1=O)C)CC=C(C3C=C)CO)C","VINLDSTZNWURGA-BCUUAKKCSA-N",380972,NA,"PDBC46642","666848","Present",NA,NA
+"46643","NSC666849",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666849",NA,"CC1=CC(=O)CC2C1(CCC3C2(CC(C(C3)(C)C=C)O)C)C","VAINSGCEOCFOIZ-ZYQXUESXSA-N",6712305,NA,"PDBC46643","666849","Present",NA,NA
+"46644","NSC666850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666850",NA,"CC(CCC1(C(=O)CCC2C1(O2)C)C)C3CC(OC3=O)C4=COC=C4","HDASQUSMIJRXPV-DYTNSZLISA-N",6712306,NA,"PDBC46644","666850","Present",NA,NA
+"46645","NSC666851",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666851",NA,"CC1CCC2(C3(CCC2(C14CC(OC4=O)C5=COC=C5)OC3=O)C)C","LJUJJGHPDOTAAY-IEMNOSGOSA-N",6712307,NA,"PDBC46645","666851","Present",NA,NA
+"46646","NSC666855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666855",NA,"CC(C)C(=O)OCC(=C)C1C(C2=C(O1)C=CC(=C2)C(=O)C)OC(=O)C(C)C","BWXQEPRVCJIAKP-MOPGFXCFSA-N",380979,NA,"PDBC46646","666855","Present",NA,NA
+"46647","NSC666856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666856",NA,"CC(=O)C1=CC2=C(C=C1)OC(C2O)C(=C)CO","YGRKPHJHMPSHAJ-QWHCGFSZSA-N",380980,NA,"PDBC46647","666856","Present",NA,NA
+"46648","NSC666858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666858",NA,"CC1=CC(C2C(C3C1CC(C3=C)OC(=O)C)OC(=O)C2=C)OC(=O)C(C)(C(C)OC(=O)C)O","FWEPMSODJFIBBA-FDFJVUNOSA-N",380982,NA,"PDBC46648","666858","Present",NA,NA
+"46649","NSC666859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666859",NA,"CC1=CC(C2C(C3C1CC(C3=C)OC(=O)C)OC(=O)C2=C)OC(=O)C(C)(C(C)OC(=O)C)OC(=O)C","YGJFGTATQFSXLS-GQCDJAAISA-N",380983,NA,"PDBC46649","666859","Present",NA,NA
+"46650","NSC666861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666861",NA,"CC1=C2C(=CC=C1)OC(=O)C3(C2=O)C(C(=O)CC3(C)C=C)C(C)C=O","QGEMZVKBNYBKQR-AECDRRKISA-N",6712308,NA,"PDBC46650","666861","Present",NA,NA
+"46651","NSC666973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666973",NA,"C1C2CC3=CC=CC=C3N2NC1CO","MMMVWOIPUJDIKF-ZJUUUORDSA-N",380996,NA,"PDBC46651","666973","Present",NA,NA
+"46652","NSC666993",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666993",NA,"COC1=CC2=C(C=C1)C3C4=CC=CC=C4CCN3CCC2.Cl","IRHWNUHIEMOUDZ-UHFFFAOYSA-N",381008,NA,"PDBC46652","666993","Present",NA,NA
+"46653","NSC666997",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666997",NA,"COC1=C(C=C2C3C4CCCCC4CCN3CCC2=C1)OC.Cl","QGWXPTCEKFJCGA-UHFFFAOYSA-N",381013,NA,"PDBC46653","666997","Present",NA,NA
+"46654","NSC667003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667003",NA,"CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)O","ZJYIVHWYSNWCSX-LBPRGKRZSA-N",6712312,NA,"PDBC46654","667003","Present",NA,NA
+"46655","NSC667004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667004",NA,"CCOP(=O)(C1(CC(OC1CO)N2C=C(C(=O)NC2=O)C)O)OCC","CBBQEZRNJNAFQF-UHFFFAOYSA-N",381021,NA,"PDBC46655","667004","Present",NA,NA
+"46656","NSC667059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667059",NA,"CC1=CC=NN1CCC2=C(C=C(C=C2)Cl)Cl.Cl","AUIBPCDFOKOKQU-UHFFFAOYSA-N",381038,NA,"PDBC46656","667059","Present",NA,NA
+"46657","NSC667061",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667061",NA,"CC1=NN(C=C1)CCC2=C(C=C(C=C2)OC)OC.Cl","BHGCOSZCEOTCSS-UHFFFAOYSA-N",381042,NA,"PDBC46657","667061","Present",NA,NA
+"46658","NSC667067",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667067",NA,"C1CN(CCN1CCC(=O)C=CC2=CC=CC=C2)CCC(=O)C=CC3=CC=CC=C3.Cl","AGWNQYLHHGCYRF-JZOPPWQGSA-N",6518597,NA,"PDBC46658","667067","Present",NA,NA
+"46659","NSC667228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667228",NA,"CC1CC(=CC2=CC(=C(C=C2)O)OC)C(=O)C(=CC3=CC(=C(C=C3)O)OC)C1","KJKKTQIBPSRXAG-ODPUSEOTSA-N",1550358,NA,"PDBC46659","667228","Present",NA,NA
+"46660","NSC667250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667250",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)NC3=C(N2)NC4=C(N3)NC5=CC=CC=C5N4","NNWSOLSNMVNREH-UHFFFAOYSA-N",381092,NA,"PDBC46660","667250","Present",NA,NA
+"46661","NSC667278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667278",NA,"CC1C(C(CC(O1)C2=C(C=CC3=CC=CC=C32)O)N(C)C)O","INFUOQUHVYEXTA-DLPPNQNASA-N",381114,NA,"PDBC46661","667278","Present",NA,NA
+"46662","NSC667383",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667383",NA,"CCOC=NC1=C(C(=CN1C2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl)C#N","DORQLBNDVSFHRP-OYKKKHCWSA-N",6393227,NA,"PDBC46662","667383","Present",NA,NA
+"46663","NSC667444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667444",NA,NA,NA,NA,NA,"PDBC46663","667444","Present",NA,NA
+"46664","NSC667474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667474",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)OC3=CC=CC=C3)CO)O","KVVHKGWRRCMZOE-UHFFFAOYSA-N",381156,NA,"PDBC46664","667474","Present",NA,NA
+"46665","NSC667475",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667475",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)OCC3=CC=CC=C3)CO)O","DTSODSYNNLANCF-UHFFFAOYSA-N",381157,NA,"PDBC46665","667475","Present",NA,NA
+"46666","NSC667476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667476",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)OCCC3=CC=CC=C3)CO)O","ZJJFIMAIGKXEKX-UHFFFAOYSA-N",381158,NA,"PDBC46666","667476","Present",NA,NA
+"46667","NSC667477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667477",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)OCCCC3=CC=CC=C3)CO)O","PKAUUFQQSOSZIW-UHFFFAOYSA-N",381159,NA,"PDBC46667","667477","Present",NA,NA
+"46668","NSC667478",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667478",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)OCC=CCC3=CC=CC=C3)CO)O","PXOKGKRKJRGYOJ-SNAWJCMRSA-N",5468280,NA,"PDBC46668","667478","Present",NA,NA
+"46669","NSC667479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667479",NA,"C1CCC(CC1)COC2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O","VKYFOMLGBXMJCM-UHFFFAOYSA-N",381161,NA,"PDBC46669","667479","Present",NA,NA
+"46670","NSC667480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667480",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)NN=NCC3=CC=CC=C3)CO)O","JRUQEYGKZKYIMP-UHFFFAOYSA-N",381162,NA,"PDBC46670","667480","Present",NA,NA
+"46671","NSC667481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667481",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)NN=NCCC3=CC=CC=C3)CO)O","POWSBOPPGNZVHL-UHFFFAOYSA-N",381163,NA,"PDBC46671","667481","Present",NA,NA
+"46672","NSC667482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667482",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)NN=NCCCC3=CC=CC=C3)CO)O","OJAUZFHLIDATKU-UHFFFAOYSA-N",381164,NA,"PDBC46672","667482","Present",NA,NA
+"46673","NSC667483",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667483",NA,"CCCCN=NNC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","HNJJSJWMDYAZOI-UHFFFAOYSA-N",381165,NA,"PDBC46673","667483","Present",NA,NA
+"46674","NSC667484",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667484",NA,"C1=CC=C(C=C1)OC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","JIDPXILNKWTMNY-UHFFFAOYSA-N",381166,NA,"PDBC46674","667484","Present",NA,NA
+"46675","NSC667485",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667485",NA,"C1=CC=C(C=C1)CCOC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","WPGOBQPMYGCVCM-UHFFFAOYSA-N",381167,NA,"PDBC46675","667485","Present",NA,NA
+"46676","NSC667486",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667486",NA,"C1=CC=C(C=C1)CCCOC2=CN(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","AHKIVSIKOFWZQO-UHFFFAOYSA-N",381168,NA,"PDBC46676","667486","Present",NA,NA
+"46677","NSC667487",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667487",NA,"C1CCC(CC1)COC2C3C(C4C(C(C(O4)CO3)O)O)C(=O)NC2=O","SGIYEXIHUPTEBG-QWGCCUHESA-N",381169,NA,"PDBC46677","667487","Present",NA,NA
+"46678","NSC667505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667505",NA,"COC(=O)C(C(C(=O)OC)OC(=O)C1CCCN1S(=O)(=O)C2=CC=CC=C2)NC3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6","WNYBYCBZGXRPHS-RTOKGZNSSA-N",381175,NA,"PDBC46678","667505","Present",NA,NA
+"46679","NSC667516",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667516",NA,"CC(C)C(C(=O)NC(CO)C=CC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1","WBDOQUGOLKEWFS-CYYVBXFOSA-N",5468283,NA,"PDBC46679","667516","Present",NA,NA
+"46680","NSC667519",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667519",NA,"C1CC2C(=O)OCC(C(=O)N3CCCC3C(=O)N2C1)NC(=O)CC4=CC=CC=C4","SNASQQZXAQOOIZ-GARXDOFDSA-N",381188,NA,"PDBC46680","667519","Present",NA,NA
+"46681","NSC667521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667521",NA,"CC1C(=O)N2C(O1)(C3CCCN3C(=O)N2CC4=CC=CC=C4)O","RMNLLIJYSYVSMQ-BWGCTNMISA-N",6712314,NA,"PDBC46681","667521","Present",NA,NA
+"46682","NSC667522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667522",NA,"C1CC2C(=O)NN(C(=O)N2C1)CC3=CC=CC=C3","XFQRZMGCAKEALC-NSHDSACASA-N",381191,NA,"PDBC46682","667522","Present",NA,NA
+"46683","NSC667523",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667523",NA,"CC1C(=O)OC(C(=O)N2CCCC2C(=O)N1)C(C)C","IVNUYEBMXBKLEN-UTLUCORTSA-N",6712315,NA,"PDBC46683","667523","Present",NA,NA
+"46684","NSC667524",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667524",NA,"C1CS(=O)(=O)NC1C(=O)O","CKMPIUWDWKULKJ-VKHMYHEASA-N",381193,NA,"PDBC46684","667524","Present",NA,NA
+"46685","NSC667526",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667526",NA,"CC1=CC(=C(C(=S)N1C2C(C(C(C(O2)CO)O)O)O)C#N)C3=CC=CC4=CC=CC=C43","KCKSNTWIIVFYIL-UHFFFAOYSA-N",381195,NA,"PDBC46685","667526","Present",NA,NA
+"46686","NSC667528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667528",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C(=C(C2=S)C#N)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","AFIDDLTZVBGWEE-UHFFFAOYSA-N",381197,NA,"PDBC46686","667528","Present",NA,NA
+"46687","NSC667529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667529",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C(=C(C2=S)C#N)C4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C)OC(=O)C","LKXWCEZCJGQEEH-UHFFFAOYSA-N",381198,NA,"PDBC46687","667529","Present",NA,NA
+"46688","NSC667532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667532",NA,"C1CCC2=C(C1)C(=C(C(=S)N2C3C(C(C(C(O3)CO)O)O)O)C#N)C4=CC=CO4","RXCLXNSXZYZMNY-UHFFFAOYSA-N",381201,NA,"PDBC46688","667532","Present",NA,NA
+"46689","NSC667534",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667534",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","VLAKUWKCSQBCLQ-UHFFFAOYSA-N",380653,NA,"PDBC46689","667534","Present",NA,NA
+"46690","NSC667536",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667536",NA,"CCOC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)CO)O)O)O)C","ORZAQZARWAHFMH-UHFFFAOYSA-N",381204,NA,"PDBC46690","667536","Present",NA,NA
+"46691","NSC667541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667541",NA,"CC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","BRAOXIPLUVPZOV-UHFFFAOYSA-N",381208,NA,"PDBC46691","667541","Present",NA,NA
+"46692","NSC667544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667544",NA,"CC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)CO)O)O)O)C","YPBDQSZHKUKVPU-UHFFFAOYSA-N",381210,NA,"PDBC46692","667544","Present",NA,NA
+"46693","NSC667550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667550",NA,"CC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)CO)O)O)O)C4=CC=CC=C4","QVTGJGCRDSYEJT-UHFFFAOYSA-N",381215,NA,"PDBC46693","667550","Present",NA,NA
+"46694","NSC667555",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667555",NA,"CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)Cl)C(=O)C","WFULAAMKZCMBHY-UHFFFAOYSA-N",381218,NA,"PDBC46694","667555","Present",NA,NA
+"46695","NSC667558",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667558",NA,"CC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)OC)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","ZDMGDIIPXKOGTF-UHFFFAOYSA-N",381221,NA,"PDBC46695","667558","Present",NA,NA
+"46696","NSC667561",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667561",NA,"CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=CC4=CC=CC=C43)C(=O)C","KABGLUQHCDXHJE-UHFFFAOYSA-N",381224,NA,"PDBC46696","667561","Present",NA,NA
+"46697","NSC667644",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667644",NA,"C1CCN(CC1)CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-].Cl","RVMHSXWPLGSZOH-UHFFFAOYSA-N",381238,NA,"PDBC46697","667644","Present",NA,NA
+"46698","NSC667645",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667645",NA,"C1CC[N+](CC1)(CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-])[O-].Cl","FUESXAKVEGFKGL-UHFFFAOYSA-N",381240,NA,"PDBC46698","667645","Present",NA,NA
+"46699","NSC667654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667654",NA,"CCOC(=O)C=C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)N=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","LLDHDLRDYXDJIH-PYCFMQQDSA-N",6300403,NA,"PDBC46699","667654","Present",NA,NA
+"46700","NSC667655",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667655",NA,"C1=CC=C(C=C1)C(=O)C=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","AIEKKBVEIGGSNX-MEFGMAGPSA-N",6296247,NA,"PDBC46700","667655","Present",NA,NA
+"46701","NSC667709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667709",NA,"CN(C)C1=CC=[N+](C=C1)C2=NC(=NC3=C2N=CN3C4CC(C(O4)CO)O)N=C(C(F)(F)F)[O-]","LGGVWPOOAPXSTI-UHFFFAOYSA-N",9571869,NA,"PDBC46701","667709","Present",NA,NA
+"46702","NSC667722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667722",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","YBULWSINJFBFMG-UHFFFAOYSA-N",381286,NA,"PDBC46702","667722","Present",NA,NA
+"46703","NSC667727",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667727",NA,"CC1=CC=C(C=C1)N=NC2=C(N(C(=S)C(=C2C)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","IDZMRUFLQUNCKW-UHFFFAOYSA-N",381291,NA,"PDBC46703","667727","Present",NA,NA
+"46704","NSC667733",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667733",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)OC)C)C3C(C(C(C(O3)CO)O)O)O)C#N","SLEOZLDFZRWZEA-UHFFFAOYSA-N",381296,NA,"PDBC46704","667733","Present",NA,NA
+"46705","NSC667734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667734",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)Cl)C)C3C(C(C(C(O3)CO)O)O)O)C#N","YPPXRESMIKWDBD-UHFFFAOYSA-N",381297,NA,"PDBC46705","667734","Present",NA,NA
+"46706","NSC667865",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667865",NA,NA,NA,NA,NA,"PDBC46706","667865","Present",NA,NA
+"46707","NSC667866",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667866",NA,"CC(C(C1=CC=CC=C1)O)NC2=CC(=O)C(=CC2=O)NC(C)C(C3=CC=CC=C3)O","FUKRUPBHVFHBLV-TWJSWXTQSA-N",5468298,NA,"PDBC46707","667866","Present",NA,NA
+"46708","NSC667875",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667875",NA,"CC1=NC(=CC=C1)C=NNC(=S)N2CCCCC2","YFCZEYSSYGJTIZ-UVTDQMKNSA-N",5819197,NA,"PDBC46708","667875","Present",NA,NA
+"46709","NSC667878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667878",NA,"CC(=NNC(=S)NCCCNC(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=N2","QUYFHTANMDPHOI-KOJZRSEWSA-N",54602082,NA,"PDBC46709","667878","Present",NA,NA
+"46710","NSC667879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667879",NA,"CC(=NNC(=S)NCCCCNC(=S)NN=C(C)C1=CC=CC=N1)C2=CC=CC=C2","RRCVTTIFYFLLQR-ZZZAPRPPSA-N",54608190,NA,"PDBC46710","667879","Present",NA,NA
+"46711","NSC667943",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667943",NA,"CN1C(=C(N=C1SC)C#N)N=CN(C)C","XZEBHUIRVGEOTE-WDZFZDKYSA-N",5914308,NA,"PDBC46711","667943","Present",NA,NA
+"46712","NSC667947",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667947",NA,"C1CC2=C(C(=CC(=C2)O)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])NC1","COTJPEYQVLIPAK-UHFFFAOYSA-N",381402,NA,"PDBC46712","667947","Present",NA,NA
+"46713","NSC667949",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667949",NA,"CC1=CC2=C(C(=C1)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])NCCC2","JYEHSMOFQIEQPL-UHFFFAOYSA-N",381404,NA,"PDBC46713","667949","Present",NA,NA
+"46714","NSC667955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667955",NA,"C1C(C(OC2=C1C(=CC(=C2)OS(=O)(=O)O)OS(=O)(=O)O)C3=CC(=C(C=C3)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O.[K+]","LRZINWYCGFMRNI-LDXVYITESA-N",54608191,NA,"PDBC46714","667955","Present",NA,NA
+"46715","NSC668004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668004",NA,"CC(C)C(C(=O)NC(C)C(=O)N1CCCC1C(=O)O)NC(=O)OC(C)(C)C","VCSAPTKLLRGQDY-UHFFFAOYSA-N",381416,NA,"PDBC46715","668004","Present",NA,NA
+"46716","NSC668013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668013",NA,"CC(C)C(C(=O)NC(C)C(=O)N1CCCC1C(=O)NCC(=O)NC(C(C)C)C(=O)NCC(=O)NC)NC(=O)C","WOLOJMUUEAXJOT-UHFFFAOYSA-N",381425,NA,"PDBC46716","668013","Present",NA,NA
+"46717","NSC668014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668014",NA,"CC(C)C(C(=O)NCC(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)C2CCCN2C(=O)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C","SKZOFFRZXFEXIO-UHFFFAOYSA-N",381426,NA,"PDBC46717","668014","Present",NA,NA
+"46718","NSC668294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668294",NA,"CCCN(CCC)C(=S)NN=C(C)C1=CC=CC=C1O","SAVUTTHDKFCZOT-VBKFSLOCSA-N",135509178,NA,"PDBC46718","668294","Present",NA,NA
+"46719","NSC668299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668299",NA,"CCN(CC)C(=S)NN=C(C1=CC=CC=C1)C2=CC=CC=N2","NGDTWGMNFOZDDX-MNDPQUGUSA-N",5494169,NA,"PDBC46719","668299","Present",NA,NA
+"46720","NSC668300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668300",NA,"C1CCN(CC1)C(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","WNCDDLCNZKQXCV-JZJYNLBNSA-N",5494336,NA,"PDBC46720","668300","Present",NA,NA
+"46721","NSC668301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668301",NA,"C1CCCN(CC1)C(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","RMVYAGRPWKVQOQ-UZYVYHOESA-N",5494337,NA,"PDBC46721","668301","Present",NA,NA
+"46722","NSC668323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668323",NA,"C1=CC=C(C=C1)C(=NNC(=S)NC2=CC=CC=C2Cl)C3=CC=CC=N3","NUGHTOYKAXQEHF-NKFKGCMQSA-N",5465914,NA,"PDBC46722","668323","Present",NA,NA
+"46723","NSC668324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668324",NA,"C1=CC=C(C=C1)C(=NNC(=S)NC2=CC(=CC=C2)Cl)C3=CC=CC=N3","DDMBEZBBDVOBMQ-NKFKGCMQSA-N",5465915,NA,"PDBC46723","668324","Present",NA,NA
+"46724","NSC668325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668325",NA,"C1=CC=C(C=C1)C(=NNC(=S)NC2=CC=C(C=C2)Cl)C3=CC=CC=N3","ZCNFOECEQFCKQH-NKFKGCMQSA-N",5465916,NA,"PDBC46724","668325","Present",NA,NA
+"46725","NSC668328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668328",NA,"CC1=CC=C(C=C1)NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","WWIYTSQTFSBURQ-NMWGTECJSA-N",5465919,NA,"PDBC46725","668328","Present",NA,NA
+"46726","NSC668329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668329",NA,"COC1=CC=C(C=C1)NC(=S)NN=C(C2=CC=CC=C2)C3=CC=CC=N3","RLZRXWZKBWZLGC-FCDQGJHFSA-N",5465920,NA,"PDBC46726","668329","Present",NA,NA
+"46727","NSC668330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668330",NA,"C1=CC=C(C=C1)C(=NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=N3","VSSBEXAOUHFQCZ-RELWKKBWSA-N",5465921,NA,"PDBC46727","668330","Present",NA,NA
+"46728","NSC668338",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668338",NA,"CC(=NNC(=S)N1CCCC1)C2=NC(=CC=C2)C(=NNC(=S)N3CCCC3)C","ZVFCVMQPIVKWNW-HHQODBOJSA-N",5904112,NA,"PDBC46728","668338","Present",NA,NA
+"46729","NSC668339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668339",NA,"CC(=NNC(=S)N1CCCCC1)C2=NC(=CC=C2)C(=NNC(=S)N3CCCCC3)C","LWTRMNOCLPQUEK-KHFFFTKUSA-N",6141183,NA,"PDBC46729","668339","Present",NA,NA
+"46730","NSC668341",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668341",NA,"CCN(CC)C(=S)NN=C(C)C1=NC(=CC=C1)C(=NNC(=S)N(CC)CC)C","RMEASDWHURFFJN-HHQODBOJSA-N",6054794,NA,"PDBC46730","668341","Present",NA,NA
+"46731","NSC668356",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668356",NA,"CC(=NOC(=O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C","CUIQJIJPIXUCDY-QQNFCMCUSA-N",381567,NA,"PDBC46731","668356","Present",NA,NA
+"46732","NSC668357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668357",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)OC)OC(=O)OC","JPRPTQMTTDGMJZ-VXRWAFEHSA-N",381568,NA,"PDBC46732","668357","Present",NA,NA
+"46733","NSC668361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668361",NA,"COC1=CC(=CC(=C1O)CN2CCOCC2)CNC3=NC4=CC=CC=C4N3CC5=CC=CC=C5.Cl","DPKROTCQWIWTLT-UHFFFAOYSA-N",381572,NA,"PDBC46733","668361","Present",NA,NA
+"46734","NSC668419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668419",NA,"CC1=CC(=C2C(=C(C(=C2C(=C1)C)C(=CC(=O)OC)C(=O)OC)C)C)C","OIXVGVJMLRRSIB-MHWRWJLKSA-N",5468315,NA,"PDBC46734","668419","Present",NA,NA
+"46735","NSC668425",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668425",NA,"CCOC(=O)CCC(C(=O)NNC(=O)OC(C)(C)C)NC(=O)C(CCC(=O)OCC)NC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C","SRTAWXPRNULWKA-UHFFFAOYSA-N",381612,NA,"PDBC46735","668425","Present",NA,NA
+"46736","NSC668429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668429",NA,"CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)OC","JCYZBDUZROFVAE-UHFFFAOYSA-N",381616,NA,"PDBC46736","668429","Present",NA,NA
+"46737","NSC668461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668461",NA,"CCOC(=O)CCC(C(=O)NN)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1.Cl","XTXNQOQICBUXJW-UHFFFAOYSA-N",381639,NA,"PDBC46737","668461","Present",NA,NA
+"46738","NSC668462",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668462",NA,"CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)OCC)NC(=O)C(C1=CC=C(C=C1)[N+](=O)[O-])N.Cl","XOSJDAKYMMGWLY-UHFFFAOYSA-N",381641,NA,"PDBC46738","668462","Present",NA,NA
+"46739","NSC668525",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668525",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCC4=CC=CC=[N+]4[O-].Cl","LVWOOJMWUJOGTB-UHFFFAOYSA-N",24202484,NA,"PDBC46739","668525","Present",NA,NA
+"46740","NSC668558",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668558",NA,"CCOC(=O)C(C=CC(=O)OC)(C(=O)OCC)N(CC#C)C(=O)C(F)(F)F","UWXIYFBJOOQHED-HJWRWDBZSA-N",5468321,NA,"PDBC46740","668558","Present",NA,NA
+"46741","NSC668578",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668578",NA,"CC(C)NCC(C1=CC(=C(C=C1NC(=O)CCC(=O)O)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O.Cl","XPHSFJFILKOFGR-UHFFFAOYSA-N",381717,NA,"PDBC46741","668578","Present",NA,NA
+"46742","NSC668582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668582",NA,"CC(C)(C)OC(=O)NC(CS(=O)(=O)O)C(=O)O.[Na+]","KQWNFUFJUUQOIU-UHFFFAOYSA-N",54608578,NA,"PDBC46742","668582","Present",NA,NA
+"46743","NSC668822",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668822",NA,"CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C2N=C(NC3=O)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","AMSWKXJXTYPJKN-UHFFFAOYSA-N",135409217,NA,"PDBC46743","668822","Present",NA,NA
+"46744","NSC668823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668823",NA,"CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","YZHKRXBIMOGRMG-UHFFFAOYSA-N",381751,NA,"PDBC46744","668823","Present",NA,NA
+"46745","NSC668824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668824",NA,"CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=C(C(=NC2=O)N)I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","HJZKIBHFMSMROG-UHFFFAOYSA-N",381752,NA,"PDBC46745","668824","Present",NA,NA
+"46746","NSC668825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668825",NA,"CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","STPFNZPGQPDBNI-UHFFFAOYSA-N",381753,NA,"PDBC46746","668825","Present",NA,NA
+"46747","NSC668827",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668827",NA,"CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)I)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","JEVRXFJEOXKKDH-UHFFFAOYSA-N",381755,NA,"PDBC46747","668827","Present",NA,NA
+"46748","NSC668828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668828",NA,"CC(C)C(COC)N=CC(C)(C)C","FTSFWTGYRKIVBK-SNVBAGLBSA-N",381756,NA,"PDBC46748","668828","Present",NA,NA
+"46749","NSC668880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668880",NA,"C1CC(=O)N(C1=O)OC(=O)C(CCCCN)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CCCCN)NC(=O)C(CC3=CC=C(C=C3)O)N.Cl","DOFFRNJBFCMRST-UHFFFAOYSA-N",381803,NA,"PDBC46749","668880","Present",NA,NA
+"46750","NSC668881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668881",NA,"CC(C)CC(C(=O)NC(COCC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O)NC(=O)C(CCC(=O)OCC4=CC=CC=C4)N.Cl","ZMRUKDMVBCZMGI-UHFFFAOYSA-N",381805,NA,"PDBC46750","668881","Present",NA,NA
+"46751","NSC668885",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668885",NA,"C1=CC=C(C=C1)CC(C(=O)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)Cl)NC(=O)C(CC3=CC=C(C=C3)OCC4=CC=CC=C4)N.Cl","UNHROQHYJHQJFR-UHFFFAOYSA-N",381811,NA,"PDBC46751","668885","Present",NA,NA
+"46752","NSC668894",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668894",NA,"CC(C)(C)OC(=O)[N+](=N)C(=O)C1CCC(=O)N1C(=O)OCC2=CC=CC=C2","MYRIMUXWWHWXLU-UHFFFAOYSA-N",381821,NA,"PDBC46752","668894","Present",NA,NA
+"46753","NSC669022",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669022",NA,"COC1=C(C=CC(=C1)C=CC=C2CCCC(=CC=CC3=CC(=C(C=C3)O)OC)C2=O)O","QTCFGIPIXZIJHC-NSKZZCLVSA-N",5431653,NA,"PDBC46753","669022","Present",NA,NA
+"46754","NSC669023",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669023",NA,"CC1CC(=CC=CC2=CC(=C(C=C2)O)OC)C(=O)C(=CC=CC3=CC(=C(C=C3)O)OC)C1","DMTSUNZUAPGJSW-IIVLXIMASA-N",5468330,NA,"PDBC46754","669023","Present",NA,NA
+"46755","NSC669033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669033",NA,"CCCC[P+](CCCC)(CCCC)C(C(=C1SC(=C(S1)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC.[Cl-]","CZZCHQXNPQJCOG-UHFFFAOYSA-M",381863,NA,"PDBC46755","669033","Present",NA,NA
+"46756","NSC669034",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669034",NA,"CC1=CN(C(=O)NC1=O)C(C(C(C(COC(=O)C2=CC=CC=C2)O)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)OC","RXVDFCFZTKNZRJ-LAJSZSQTSA-N",381865,NA,"PDBC46756","669034","Present",NA,NA
+"46757","NSC669040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669040",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)OCC4C(CC(O4)N5C=CC(=NC5=O)NC(=O)C6=CC=CC=C6)OP7(=S)SCCS7","PGTHKQMMKIJLAU-UHFFFAOYSA-N",381871,NA,"PDBC46757","669040","Present",NA,NA
+"46758","NSC669148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669148",NA,"CC1CCC(C(C1)OC(=O)C(C(C2C(OC(O2)(C)C)C3COC(O3)(C)C)O)C(=O)OC4CC(CCC4C(C)C)C)C(C)C","JZTLVLJXRJOJGY-ZFBMNSHYSA-N",381885,NA,"PDBC46758","669148","Present",NA,NA
+"46759","NSC669173",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669173",NA,"C1=CC=C(C=C1)C(=O)OCC2C(C(C(C(O2)N)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O.Br","XWTHDGZYBCZPCW-UHFFFAOYSA-N",381921,NA,"PDBC46759","669173","Present",NA,NA
+"46760","NSC669254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669254",NA,"CCCCCCCCCCCCCCCCOCC(CCl)OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]","ZHDLJKAHYWBZQM-UHFFFAOYSA-N",54604801,NA,"PDBC46760","669254","Present",NA,NA
+"46761","NSC669255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669255",NA,"CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)O.[Na+]","STHXTMYTADGMCU-UHFFFAOYSA-N",54608208,NA,"PDBC46761","669255","Present",NA,NA
+"46762","NSC669256",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669256",NA,"CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)O)Cl.[Na+]","TYDWYGPYEPDAFZ-UHFFFAOYSA-N",54611275,NA,"PDBC46762","669256","Present",NA,NA
+"46763","NSC669258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669258",NA,"CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)O.[Na+]","MOLRHVZHVLCWIT-UHFFFAOYSA-N",54604802,NA,"PDBC46763","669258","Present",NA,NA
+"46764","NSC669259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669259",NA,"CCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(CC(O1)N2C=CC(=NC2=O)N)O.[Na+]","QMSYIGDHZRFLOC-UHFFFAOYSA-N",54608686,NA,"PDBC46764","669259","Present",NA,NA
+"46765","NSC669261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669261",NA,"CCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]","KUCHPHFXJVUGCX-UHFFFAOYSA-N",54608209,NA,"PDBC46765","669261","Present",NA,NA
+"46766","NSC669262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669262",NA,"CCCCCCCCP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]","IFNMNXGRLZKRRG-UHFFFAOYSA-N",54608687,NA,"PDBC46766","669262","Present",NA,NA
+"46767","NSC669264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669264",NA,"CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)Cl.[Na+]","WXFIZDHRFASUSQ-UHFFFAOYSA-N",54600922,NA,"PDBC46767","669264","Present",NA,NA
+"46768","NSC669269",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669269",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(CC(P(=O)(O)O)P(=O)(O)O)C(=O)O)C(=O)O.[Na+]","FFEFTHVRNFILFP-UHFFFAOYSA-N",54601668,NA,"PDBC46768","669269","Present",NA,NA
+"46769","NSC669270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669270",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCC(P(=O)(O)O)P(=O)(O)O)C(=O)O.[Na+]","SYDBXYYYNNGNOH-UHFFFAOYSA-N",54608688,NA,"PDBC46769","669270","Present",NA,NA
+"46770","NSC669274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669274",NA,"CC1=C2C(=C(C=C1)[N+](=O)[O-])C(=CC=N2)NCC(CO)O.Cl","UAYYCDNAPHQIQZ-UHFFFAOYSA-N",381962,NA,"PDBC46770","669274","Present",NA,NA
+"46771","NSC669313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669313",NA,NA,NA,NA,NA,"PDBC46771","669313","Present",NA,NA
+"46772","NSC669314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669314",NA,NA,NA,NA,NA,"PDBC46772","669314","Present",NA,NA
+"46773","NSC669317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669317",NA,"C1CCN=C(NC1)NN=CC2=CC=CC=C2C(=O)O.I","WYFCMRZXZKQRMC-LFMIJCLESA-N",5468377,NA,"PDBC46773","669317","Present",NA,NA
+"46774","NSC669318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669318",NA,"C1CN=C(N1)NN=CC2=CC=CC=C2C(=O)O.I","DBANFJLGCKMKTO-KIUKIJHYSA-N",5468379,NA,"PDBC46774","669318","Present",NA,NA
+"46775","NSC669319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669319",NA,"C1CCN=C(NC1)N=NC2=C(NC3=CC=CC=C32)O.I","QAXHFCZLABQRCV-UHFFFAOYSA-N",381992,NA,"PDBC46775","669319","Present",NA,NA
+"46776","NSC669320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669320",NA,"CN(C1=NCCCCN1)N=CC2=CC=CC=C2C(=O)O.I","POOMRFIEGWVMPH-LZMXEPDESA-N",9571870,NA,"PDBC46776","669320","Present",NA,NA
+"46777","NSC669321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669321",NA,"CN(C1=NCCCCN1)N=CC2=CC=C(C=C2)Cl.I","JTKRSCZGVDWRQI-LZMXEPDESA-N",9571872,NA,"PDBC46777","669321","Present",NA,NA
+"46778","NSC669322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669322",NA,"CN(C1=NCCCCN1)N=CC2=CC(=C(C=C2)Cl)Cl.I","LUHJUGGALQNEEN-WUBZALIBSA-N",9571874,NA,"PDBC46778","669322","Present",NA,NA
+"46779","NSC669323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669323",NA,"CN(C1=NCCN1)N=CC2=CC(=C(C=C2)Cl)Cl.I","OILZURRPDJFYAZ-OYXUYBEVSA-N",9571876,NA,"PDBC46779","669323","Present",NA,NA
+"46780","NSC669324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669324",NA,"CN(C1=NCCCCN1)N=CC2=CC=CC=N2.I","PIOBKRFCQFNEAT-QFHYWFJHSA-N",9571878,NA,"PDBC46780","669324","Present",NA,NA
+"46781","NSC669325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669325",NA,"CN(C1=NCCCN1)N=CC2=CC=CC=N2.I","BYWMCQMPOYYBBV-NSPIFIKESA-N",9571880,NA,"PDBC46781","669325","Present",NA,NA
+"46782","NSC669326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669326",NA,"CN(C1=NCCN1)N=CC2=CC=CC=N2.I","IPVYOOTZPKCUBH-XHIXCECLSA-N",9571882,NA,"PDBC46782","669326","Present",NA,NA
+"46783","NSC669327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669327",NA,"C1CCN=C(NC1)NN=CC=NNC2=NCCCCN2.I","HCTPABUFTIKVQS-MQMNHWTGSA-N",9571884,NA,"PDBC46783","669327","Present",NA,NA
+"46784","NSC669328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669328",NA,"C1CNC(=NC1)NN=CC=NNC2=NCCCN2.I","KTMSBSZDEPSUOK-OBQHEISASA-N",9571886,NA,"PDBC46784","669328","Present",NA,NA
+"46785","NSC669329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669329",NA,"C1CN=C(N1)NN=CC=NNC2=NCCN2.I","POVGPSWSGWGHBB-HGYMEXNASA-N",9571888,NA,"PDBC46785","669329","Present",NA,NA
+"46786","NSC669330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669330",NA,"CC(=NNC1=NCCCCN1)C=NNC2=NCCCCN2.I","JSXGYBJDZZZJES-XGMIBILOSA-N",9571890,NA,"PDBC46786","669330","Present",NA,NA
+"46787","NSC669331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669331",NA,"CC(=NNC1=NCCCN1)C=NNC2=NCCCN2.I","YRMGCARSBPNRRJ-VZBBRVKZSA-N",9571892,NA,"PDBC46787","669331","Present",NA,NA
+"46788","NSC669332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669332",NA,"CN(C1=NCCCCN1)N=CC=NN(C)C2=NCCCCN2.I","YYRJPOJSUCVIJH-BYCVLTJGSA-N",9571894,NA,"PDBC46788","669332","Present",NA,NA
+"46789","NSC669333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669333",NA,"CN(C1=NCCCN1)N=CC=NN(C)C2=NCCCN2.I","UURMPXMDMOOBRI-MQMNHWTGSA-N",9571896,NA,"PDBC46789","669333","Present",NA,NA
+"46790","NSC669334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669334",NA,"CN(C1=NCCN1)N=CC=NN(C)C2=NCCN2.I","RMUQQPGJWOIEDT-OBQHEISASA-N",9571898,NA,"PDBC46790","669334","Present",NA,NA
+"46791","NSC669336",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669336",NA,"C1CCN=C(NC1)NNC(=O)NC2=CC=C(C=C2)Cl.I","QOJQSGDKTIZRCY-UHFFFAOYSA-N",382026,NA,"PDBC46791","669336","Present",NA,NA
+"46792","NSC669337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669337",NA,"C1CNC(=NC1)NNC(=S)NC2=CC=CC=C2.I","LFRAMNHARFKDOP-UHFFFAOYSA-N",5468372,NA,"PDBC46792","669337","Present",NA,NA
+"46793","NSC669339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669339",NA,"CNC(=S)NNC1=NCCCCN1.I","DEBMOJMTQZALRV-UHFFFAOYSA-N",5468374,NA,"PDBC46793","669339","Present",NA,NA
+"46794","NSC669340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669340",NA,"CNC(=S)NNC1=NCCCN1.I","ACHUILJIJOOOAT-UHFFFAOYSA-N",5468375,NA,"PDBC46794","669340","Present",NA,NA
+"46795","NSC669341",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669341",NA,"C1CCN=C(NC1)NNC(=S)NC2=CC=C(C=C2)Cl.I","LPJYPUCBFLJGCM-UHFFFAOYSA-N",5468376,NA,"PDBC46795","669341","Present",NA,NA
+"46796","NSC669342",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669342",NA,"CN(C1=NCCCCN1)NC(=O)C2=CC=C(C=C2)Cl.I","JJUNITCRUAPDIP-UHFFFAOYSA-N",382038,NA,"PDBC46796","669342","Present",NA,NA
+"46797","NSC669343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669343",NA,"CN(C1=NCCCCN1)NC(=O)C2=CC=CS2.I","ZQDOPLUEJQGJQG-UHFFFAOYSA-N",382040,NA,"PDBC46797","669343","Present",NA,NA
+"46798","NSC669344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669344",NA,"CN(C1=NCCCN1)NC(=O)C2=CC=CS2.I","MBAYNBYFBZADTO-UHFFFAOYSA-N",382042,NA,"PDBC46798","669344","Present",NA,NA
+"46799","NSC669345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669345",NA,"CN(C1=NCCN1)NC(=O)C2=CC=CS2.I","DFFZRNCHZBWBMZ-UHFFFAOYSA-N",382044,NA,"PDBC46799","669345","Present",NA,NA
+"46800","NSC669346",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669346",NA,"C1CCN=C(NC1)NN=CC2=CC=CC=C2C(=O)O.I","WYFCMRZXZKQRMC-QOVZSLTQSA-N",5468336,NA,"PDBC46800","669346","Present",NA,NA
+"46801","NSC669347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669347",NA,"C1CN=C(N1)NN=CC2=CC=CC=C2C(=O)O.I","DBANFJLGCKMKTO-FJUODKGNSA-N",5468338,NA,"PDBC46801","669347","Present",NA,NA
+"46802","NSC669348",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669348",NA,"CC(C)C(=NNC)C=CC1=CC=CC=C1","LTKVSEMUZWWVNX-OFPSORBISA-N",5934497,NA,"PDBC46802","669348","Present",NA,NA
+"46803","NSC669376",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669376",NA,"CCN(CC)C1=NC=NC2=C1N=CN2C3CC(C(O3)CO[Si](C)(C)C(C)(C)C)OP(=O)(OCC)OCC","ABAHDYXYXVVXMY-UHFFFAOYSA-N",382062,NA,"PDBC46803","669376","Present",NA,NA
+"46804","NSC669377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669377",NA,"CCOP(=O)(OCC)OC1CC(OC1CO[Si](C)(C)C(C)(C)C)N2C=C(C(=O)N(C2=O)C)C","RDJGKXVVKCSTOD-UHFFFAOYSA-N",382063,NA,"PDBC46804","669377","Present",NA,NA
+"46805","NSC669442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669442",NA,"CC1=CC=C(C=C1)C=C2CN(CC3=C2NC(=S)NC3C4=CC=C(C=C4)C)C.Cl","ZBENHTAIYIZBTA-NNTHFVATSA-N",5468387,NA,"PDBC46805","669442","Present",NA,NA
+"46806","NSC669443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669443",NA,"CN1CC(=CC2=CC=CC=C2Cl)C3=C(C1)C(NC(=S)N3)C4=CC=CC=C4Cl.Cl","USZHGDCXYCZTFP-KMZJGFRYSA-N",5468389,NA,"PDBC46806","669443","Present",NA,NA
+"46807","NSC669444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669444",NA,"CN1CC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C(C1)C(NC(=S)N3)C4=CC(=C(C(=C4)OC)OC)OC.Cl","LFVOLHDOIKTUJG-XIDBHWPPSA-N",5468391,NA,"PDBC46807","669444","Present",NA,NA
+"46808","NSC669458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669458",NA,"CC(=C(C)CC1SCCCS1)CC2SCCCS2","CRVSHIMXJLJXGI-VAWYXSNFSA-N",5468393,NA,"PDBC46808","669458","Present",NA,NA
+"46809","NSC669582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669582",NA,"CCOP(=O)(C)C(CC1=CC(=C(C=C1)OC)OC)N.C(=O)(C(=O)O)O","CLOWKHNCBQQHMH-UHFFFAOYSA-N",382137,NA,"PDBC46809","669582","Present",NA,NA
+"46810","NSC669583",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669583",NA,"CC(=O)N1C=C(C2=CC=CC=C21)C=C(C(=O)OC)P(=O)(OC)OC","NJLUWSFNNODHOF-OQLLNIDSSA-N",5468396,NA,"PDBC46810","669583","Present",NA,NA
+"46811","NSC669585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669585",NA,"COP(=O)(C(=CC1=CNC2=CC=CC=C21)C(=O)O)OC","RSZCOKNQGBVIPH-KPKJPENVSA-N",5468397,NA,"PDBC46811","669585","Present",NA,NA
+"46812","NSC669603",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669603",NA,"CN(C)CCNC1=NC2=[N+](ON=C2C3=CC=CC=C31)[O-].OCl(=O)(=O)=O","RNWOWBCLCXCVPH-UHFFFAOYSA-N",135440005,NA,"PDBC46812","669603","Present",NA,NA
+"46813","NSC669610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669610",NA,"CC(C)(C)C(COC)N=CN1CCCC2=CC=CC=C2C1CCCCl","NFEDMTNADVWLPN-XJDOXCRVSA-N",382162,NA,"PDBC46813","669610","Present",NA,NA
+"46814","NSC669615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669615",NA,"CC1=C2C(=NC(=NC2=NC=C1CN(C)C3=CC(=CC(=C3)OC)OC)N)N.Cl","GIXJMIDIKQXNIS-UHFFFAOYSA-N",382164,NA,"PDBC46814","669615","Present",NA,NA
+"46815","NSC669627",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669627",NA,"CCOC(=O)C(=CC1=CN(C2=CC=CC=C21)C(=O)C)P(=O)(C)OCC","XNEKNLQBLPJNNT-GZTJUZNOSA-N",5468400,NA,"PDBC46815","669627","Present",NA,NA
+"46816","NSC669637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669637",NA,"CCOC(=O)C(=CC1=CN(C2=CC=CC=C21)C(=O)C)P(=O)(OC)OC","GMSYMTOIHWKHQD-YBEGLDIGSA-N",20835102,NA,"PDBC46816","669637","Present",NA,NA
+"46817","NSC669654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669654",NA,"CCC(C(=O)C1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)NC(C)C4=CC=CC=C4.Cl","PJKOLSDRKXPNKA-UHFFFAOYSA-N",382194,NA,"PDBC46817","669654","Present",NA,NA
+"46818","NSC669655",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669655",NA,"C1CC(C(C1)NC(=O)OCC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(F)(F)F","FNHDDRPVUJEQQQ-MSOLQXFVSA-N",382196,NA,"PDBC46818","669655","Present",NA,NA
+"46819","NSC669657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669657",NA,"C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)N.C(=O)(C(F)(F)F)O","VAVHAFJBUXTBIT-UHFFFAOYSA-N",382198,NA,"PDBC46819","669657","Present",NA,NA
+"46820","NSC669658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669658",NA,"CCC(C(C1=CC(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)O)NC(C)C4=CC=CC=C4.Cl","VMQJGQPXAOKPTE-UHFFFAOYSA-N",22210515,NA,"PDBC46820","669658","Present",NA,NA
+"46821","NSC669659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669659",NA,"CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)NC2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)N)NC(=O)OC(C)(C)C","RIIFZWGEKKTRPK-ZWSWPSKSSA-N",6712327,NA,"PDBC46821","669659","Present",NA,NA
+"46822","NSC669667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669667",NA,"C1=CC=C2C(=C1)C(=O)N(C2=O)C(COC3=CC=C(C=C3)N)O.Cl","QAUOXZDMVUDSHQ-UHFFFAOYSA-N",382208,NA,"PDBC46822","669667","Present",NA,NA
+"46823","NSC669686",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669686",NA,"CC(=O)NC(=CC1=CN(C=N1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)P(=O)(OC)OC","MFFGHMILHKQHPR-DIBXZPPDSA-N",5468403,NA,"PDBC46823","669686","Present",NA,NA
+"46824","NSC669714",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669714",NA,"CC(C)(C(=O)NC(CC1=CC=CC=C1)C(=O)NN)NC(=O)OCC2=CC=CC=C2.Cl","KIBSZXSHLOUGFL-UHFFFAOYSA-N",382259,NA,"PDBC46824","669714","Present",NA,NA
+"46825","NSC669715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669715",NA,"CCCCCCNCCC1=CN=CN1.Cl","MITAKEMJLYPOGL-UHFFFAOYSA-N",382261,NA,"PDBC46825","669715","Present",NA,NA
+"46826","NSC669720",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669720",NA,"C1CC(C2C(C(C(CN2C1)O)O)O)O.Cl","CQKIPUSVCYSFPK-DOHLFCCESA-N",382266,NA,"PDBC46826","669720","Present",NA,NA
+"46827","NSC669721",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669721",NA,"C1CC(C2C(C(C(CN2C1)O)O)O)O.Cl","CQKIPUSVCYSFPK-RGVWZYHPSA-N",382268,NA,"PDBC46827","669721","Present",NA,NA
+"46828","NSC669722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669722",NA,"C1CCN2CC(C(C(C2C1)O)O)O","MBSUOCBPGKTHFN-SRKTWWLUSA-N",382269,NA,"PDBC46828","669722","Present",NA,NA
+"46829","NSC669732",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669732",NA,"CN(C)CC1CCCC(=CC2=CC=CC=C2)C1=O.Cl","VDNANGLMBUJDHM-JHGYPSGKSA-N",5468410,NA,"PDBC46829","669732","Present",NA,NA
+"46830","NSC669733",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669733",NA,"CC1=CC=C(C=C1)C=C2CCCC(C2=O)CN(C)C.Cl","SDDCNDPETIOTRM-KRWCAOSLSA-N",5468412,NA,"PDBC46830","669733","Present",NA,NA
+"46831","NSC669734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669734",NA,"CN(C)CC1CCCC(=CC2=CC=C(C=C2)N(C)C)C1=O.Cl","ABRFFZMRWOCFPK-JRUHLWALSA-N",5468414,NA,"PDBC46831","669734","Present",NA,NA
+"46832","NSC669735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669735",NA,"C1CCN(CC1)CC2CCCC(=CC3=CC=CC=C3)C2=O.Cl","LDTQHCRIFCOEKX-KLSJZZFUSA-N",5468416,NA,"PDBC46832","669735","Present",NA,NA
+"46833","NSC669736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669736",NA,"CC1=CC=C(C=C1)C=C2CCCC(C2=O)CN3CCCCC3.Cl","GIPVTEBCQWGQBA-LSJACRKWSA-N",5468418,NA,"PDBC46833","669736","Present",NA,NA
+"46834","NSC669737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669737",NA,"CC(C)(CN1CCCCC1)C(=O)C=CC2=C(C=CC=C2Cl)Cl.Cl","JRCMDJGCDUFDDE-RRABGKBLSA-N",6518732,NA,"PDBC46834","669737","Present",NA,NA
+"46835","NSC669770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669770",NA,"CC(C)(C)OC(=O)NCCCCC(N)NC(=O)C1=CC=CC=C1.C(=O)(C(F)(F)F)O","XETAFYVVZMBZFK-UHFFFAOYSA-N",382309,NA,"PDBC46835","669770","Present",NA,NA
+"46836","NSC669774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669774",NA,"CC(C)CC(C(=O)NC(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N)NC=O.C(=O)(C(F)(F)F)O","JSIBIVJXBDUTDM-UHFFFAOYSA-N",382314,NA,"PDBC46836","669774","Present",NA,NA
+"46837","NSC669775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669775",NA,"CC(C)CC(C(=O)N)C(=O)NC(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N.C(=O)(C(F)(F)F)O","OZACVIGVKBZLFJ-UHFFFAOYSA-N",382316,NA,"PDBC46837","669775","Present",NA,NA
+"46838","NSC669781",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669781",NA,"COC(=O)C1(CCCCCCC1)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","SLFPQJQHAFCSDP-UHFFFAOYSA-N",382322,NA,"PDBC46838","669781","Present",NA,NA
+"46839","NSC669818",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669818",NA,"CC1CC1(C(=O)OC)NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C","QASULDDAZPYKDO-SSDBIDGISA-N",382349,NA,"PDBC46839","669818","Present",NA,NA
+"46840","NSC669937",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669937",NA,"C1=CC=C(C=C1)C#CSC2=C(SC(=C(C3=CC=CC=C3)SC#CC4=CC=CC=C4)S2)C5=CC=CC=C5","VNCHISOQQPHCLQ-UUDCSCGESA-N",5468420,NA,"PDBC46840","669937","Present",NA,NA
+"46841","NSC669964",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669964",NA,"CC1C(C(=O)OC(O1)C(C)(C)C)C(C2=CC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4","ARKDPYIAHWYBRB-AECVFZFPSA-N",382406,NA,"PDBC46841","669964","Present",NA,NA
+"46842","NSC669978",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669978",NA,"CC(=O)C=C(C=NO)C1=CC=CC=C1","FZHNVHXFXNYZMP-NTLHZVPKSA-N",17387198,NA,"PDBC46842","669978","Present",NA,NA
+"46843","NSC669979",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669979",NA,"CC(=NO)CC(C=NO)(C1=CC=CC=C1)O","YPDDLKPWPQSEFM-UQXQTEIVSA-N",54608137,NA,"PDBC46843","669979","Present",NA,NA
+"46844","NSC669981",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669981",NA,"CC1(CC2C(=NO)CCCC2=[N+]1[O-])N3CCOCC3","TWKPIJREXZINBS-KAMYIIQDSA-N",5465962,NA,"PDBC46844","669981","Present",NA,NA
+"46845","NSC669982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669982",NA,"C1CCC2(C(C1)C3(C(=NO)CCCC3=[N+]2[O-])O)N4CCOCC4","RVDDMZVJRQNLED-LGMDPLHJSA-N",5465963,NA,"PDBC46845","669982","Present",NA,NA
+"46846","NSC669983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669983",NA,"CC1=NOC2(C1)C(=NO)CCCC2=NO","WKDUYVGCDCDJJN-AMMQDNIMSA-N",9571901,NA,"PDBC46846","669983","Present",NA,NA
+"46847","NSC669995",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669995",NA,"C1CN(CCC1C2CCN(CC2)CC3=CC=CC4=CC=CC=C43)CC5=CC=CC6=CC=CC=C65.Cl","QYVDTIYZIDAHFT-UHFFFAOYSA-N",382428,NA,"PDBC46847","669995","Present",NA,NA
+"46848","NSC670004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670004",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC3CCC4C3C=CC4","VWXKZFFUVFUIOE-WYGFYTFQSA-N",382438,NA,"PDBC46848","670004","Present",NA,NA
+"46849","NSC670005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670005",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)OC3CCC4C3C=CC4","VWXKZFFUVFUIOE-JDGDGYACSA-N",382439,NA,"PDBC46849","670005","Present",NA,NA
+"46850","NSC670007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670007",NA,"CC(=O)OCC1C2C(C(C(O1)OC3C(C=COC3COC(=O)C)OC(=O)C)OC(=O)C)OC(O2)(C)C","DJEXDNPNURAIBY-VQIIVBDDSA-N",382441,NA,"PDBC46850","670007","Present",NA,NA
+"46851","NSC670009",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670009",NA,"C1C2C(C(CO2)O)OC1NC3=CC=CC=N3","BOLBUQFPGMKCEV-UHFFFAOYSA-N",382443,NA,"PDBC46851","670009","Present",NA,NA
+"46852","NSC670010",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670010",NA,"COC1C2CCCCCCC(C(C2(C(C(=O)OC)O)C(=O)OC)O1)O","QRAXLURWTQDKIH-FBPPNQMBSA-N",6712330,NA,"PDBC46852","670010","Present",NA,NA
+"46853","NSC670049",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670049",NA,"C1C(=CC2=CC(=CC=C2)Br)C(=O)C(=CC3=CC(=CC=C3)Br)CS1","HGFNERWBYXJBFK-BGPOSVGRSA-N",5917916,NA,"PDBC46853","670049","Present",NA,NA
+"46854","NSC670052",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670052",NA,"COC1=C(C(=C(C=C1)C=C2CSCC(=CC3=C(C(=C(C=C3)OC)OC)OC)C2=O)OC)OC","ZMHGZRIEKXTPDW-JYFOCSDGSA-N",6143850,NA,"PDBC46854","670052","Present",NA,NA
+"46855","NSC670053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670053",NA,"C1C(=CC2=CC=CC=C2)C3=C(CS1)C(NC(=S)N3)C4=CC=CC=C4","CSBPYIQKOFCNHJ-LFIBNONCSA-N",5913878,NA,"PDBC46855","670053","Present",NA,NA
+"46856","NSC670054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670054",NA,"C1C(=CC2=CC(=CC=C2)Br)C3=C(CS1)C(NC(=S)N3)C4=CC(=CC=C4)Br","NTJIFUIDTXOVKI-VGOFMYFVSA-N",6509763,NA,"PDBC46856","670054","Present",NA,NA
+"46857","NSC670055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670055",NA,"CC(C)C1=CC=C(C=C1)C=C2CSCC3=C2NC(=S)NC3C4=CC=C(C=C4)C(C)C","VWMQARYYHFGNNJ-LPYMAVHISA-N",5785265,NA,"PDBC46857","670055","Present",NA,NA
+"46858","NSC670056",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670056",NA,"C1C(=CC2=CC=C(C=C2)Cl)C3=C(CS1)C(NC(=S)N3)C4=CC=C(C=C4)Cl","CQMQYXXDMVGBTN-NTEUORMPSA-N",5892196,NA,"PDBC46858","670056","Present",NA,NA
+"46859","NSC670059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670059",NA,"CC(C)C1=CC=C(C=C1)C=C2CSCC3=C2N=C4N(C3C5=CC=C(C=C5)C(C)C)C(=O)CS4","JZMSJEKJBWAENY-YDZHTSKRSA-N",5912174,NA,"PDBC46859","670059","Present",NA,NA
+"46860","NSC670060",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670060",NA,"C1C(=CC2=CC=C(C=C2)Cl)C3=C(CS1)C(N4C(=O)CSC4=N3)C5=CC=C(C=C5)Cl","HSKGUULHAMLQAG-OQLLNIDSSA-N",6271252,NA,"PDBC46860","670060","Present",NA,NA
+"46861","NSC670090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670090",NA,"CC1(N(C(=NC(=NC)NC)N(P1(=O)O)C)C)C","LSAAPMGVZGYEFA-XYOKQWHBSA-N",6477475,NA,"PDBC46861","670090","Present",NA,NA
+"46862","NSC670115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670115",NA,"C1=CN(C(=NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C(C(F)(F)F)C(F)(F)F)N=C1)C(=O)C(C(F)(F)F)C(F)(F)F","FZPJBAGCZIRYTI-ZHSUKTGHSA-N",6477476,NA,"PDBC46862","670115","Present",NA,NA
+"46863","NSC670117",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670117",NA,"CC(C)N(C(C)C)C(=NC(=O)NC1=CC=CC=C1C(F)(F)F)F","VQOGMEDMOKWWAL-BKUYFWCQSA-N",5888697,NA,"PDBC46863","670117","Present",NA,NA
+"46864","NSC670143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670143",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4(C3(CCC(C4)OC(=O)C)C)Br)C","MISWYRSVANIBQJ-AGDTZQEUSA-N",6712331,NA,"PDBC46864","670143","Present",NA,NA
+"46865","NSC670154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670154",NA,"CC1(C(CC23C1C(CC(C2)(CCC3)C)O)OC(=O)C4=CC=CC=C4)C","OXQJARXRUUEAIC-JJJIQTISSA-N",382544,NA,"PDBC46865","670154","Present",NA,NA
+"46866","NSC670155",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670155",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(=NNC(=O)C)C4(C)C)C)C","RCFQMFZAFWOVMT-FSRJNIBPSA-N",54611747,NA,"PDBC46866","670155","Present",NA,NA
+"46867","NSC670156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670156",NA,"CC1(CC2C(C1=NO)C3(CCCC2(C3O)C)C)C","JZXXWJSJLIKBEU-WJDWOHSUSA-N",5465967,NA,"PDBC46867","670156","Present",NA,NA
+"46868","NSC670159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670159",NA,"CC1(CC2C1CCC(C(CCC2=C)[N+](=O)[O-])(C)N=O)C","IXMGPRFXGAEAOT-HNQLUHSGSA-N",382549,NA,"PDBC46868","670159","Present",NA,NA
+"46869","NSC670160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670160",NA,"C1CC2CC1CC2=NNS(=O)(=O)C3=CC=CC=C3","VGQTXZFAKZVDOD-BUHFOSPRSA-N",5465968,NA,"PDBC46869","670160","Present",NA,NA
+"46870","NSC670166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670166",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(CC2(CCC4C3CC4(C)C)C)O","BSQVUDMFVHHRDL-XHCVORMPSA-N",9571902,NA,"PDBC46870","670166","Present",NA,NA
+"46871","NSC670168",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670168",NA,"CC1(C(C(=O)C(C(N1C)(C)C)Br)Br)C.Br","XCFLNKYYFXDSFD-UHFFFAOYSA-N",382559,NA,"PDBC46871","670168","Present",NA,NA
+"46872","NSC670170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670170",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2C3CCC(C3)C2C4=CC=CC=C4","KMLJCDIFQNRJOC-MRCUWXFGSA-N",5465970,NA,"PDBC46872","670170","Present",NA,NA
+"46873","NSC670173",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670173",NA,"CC1(C2CCC(C2)C1=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C","OVJRVSJSFZMTEJ-VKAVYKQESA-N",5465971,NA,"PDBC46873","670173","Present",NA,NA
+"46874","NSC670184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670184",NA,"CN1C2CC(=O)CC1C(C2O)O","BBZXQEXUIOSPAN-HYNHDVCUSA-N",6712333,NA,"PDBC46874","670184","Present",NA,NA
+"46875","NSC670185",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670185",NA,"CN1C2CC(=O)CC1C3C2OC(O3)C4=CC=CC=C4","SZAVMMHZUZXKAY-QRFUTXMCSA-N",382574,NA,"PDBC46875","670185","Present",NA,NA
+"46876","NSC670186",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670186",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CC(=C)CC2N3C","AVOJQKKMOHRDQQ-BCLQGDPASA-N",382575,NA,"PDBC46876","670186","Present",NA,NA
+"46877","NSC670187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670187",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NS(=O)(=O)C)C)C","QEFHCQUPFDFRLN-PNGUHQLESA-N",382576,NA,"PDBC46877","670187","Present",NA,NA
+"46878","NSC670194",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670194",NA,NA,NA,NA,NA,"PDBC46878","670194","Present",NA,NA
+"46879","NSC670238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670238",NA,"C1=CC=C(C=C1)CN=CNC(=C(C#N)N)C#N","UQZZHPMRAWQUAV-QXMHVHEDSA-N",5468432,NA,"PDBC46879","670238","Present",NA,NA
+"46880","NSC670240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670240",NA,"C(CO)N=CNC(=C(C#N)N)C#N","BSQITYQYNFVRMN-SREVYHEPSA-N",5468434,NA,"PDBC46880","670240","Present",NA,NA
+"46881","NSC670241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670241",NA,"CC(=O)NNC=NC(=C(C#N)N)C#N","QCEVBPISDUCPGZ-SREVYHEPSA-N",5468435,NA,"PDBC46881","670241","Present",NA,NA
+"46882","NSC670242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670242",NA,"C1=CC=C(C(=C1)N)NC=NC(=C(C#N)N)C#N","HSCBFLVDMFBWQE-LUAWRHEFSA-N",5468436,NA,"PDBC46882","670242","Present",NA,NA
+"46883","NSC670243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670243",NA,"C1=CC(=CC=C1N)NC=NC(=C(C#N)N)C#N","KPKLCXPLFDJFTK-KHPPLWFESA-N",5468437,NA,"PDBC46883","670243","Present",NA,NA
+"46884","NSC670319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670319",NA,"C1CC2=CC3=C(CCC3)C(=C2C1)C=NO","QIUDNTNVDYAZPN-ZSOIEALJSA-N",5919917,NA,"PDBC46884","670319","Present",NA,NA
+"46885","NSC670345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670345",NA,"COC(=O)C1=CC=CC=C1C=C2CC3=C(C2=O)C=C4CCCC4=C3","BTPLNWCEBSXYRP-LICLKQGHSA-N",5919283,NA,"PDBC46885","670345","Present",NA,NA
+"46886","NSC670346",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670346",NA,"COC(=O)C1=CC(=CC2=C1CCC2)C=C3CC4=C(C3=O)C=C5CCCC5=C4","SLVZSMHBJJVTAJ-DJKKODMXSA-N",5924428,NA,"PDBC46886","670346","Present",NA,NA
+"46887","NSC670347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670347",NA,"COC(=O)C1=CC=CC=C1C=C2CC3=C(C2=O)C4=C(CCCC4)C=C3","BAQAPUWGGVBWDQ-SFQUDFHCSA-N",5932988,NA,"PDBC46887","670347","Present",NA,NA
+"46888","NSC670362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670362",NA,"C1CCC(CC1)SC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)CO)O)O)N","PDBXBADUAMLWQV-UHFFFAOYSA-N",382713,NA,"PDBC46888","670362","Present",NA,NA
+"46889","NSC670388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670388",NA,"CCC(C(=O)NCP(=O)(OCC1=CC=C(C=C1)[N+](=O)[O-])OCC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C","HWNVVVWWPODNPW-NRFANRHFSA-N",382717,NA,"PDBC46889","670388","Present",NA,NA
+"46890","NSC670390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670390",NA,"CCCCCC[N+]1=NOC(=C1C2=CC=C(C=C2)C3=C(ON=[N+]3CCCCCC)N)N.[Cl-]","PUZYARUAKVOIMB-UHFFFAOYSA-N",382719,NA,"PDBC46890","670390","Present",NA,NA
+"46891","NSC670391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670391",NA,"C1CC(C2C(C1O)C3C4=CC=CC=C4C2S3)O","VXHGMVXYYKYEAD-XBJBOSPKSA-N",382721,NA,"PDBC46891","670391","Present",NA,NA
+"46892","NSC670392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670392",NA,"CC(=O)OC1C=CC(C2C1C3C4C=CC=CC4C2S3=O)OC(=O)C","JBDPVPSAXYWOAD-NQRKNDLSSA-N",382722,NA,"PDBC46892","670392","Present",NA,NA
+"46893","NSC670393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670393",NA,"CC(=O)OC1CCC(C2C1C3C4=CC=CC=C4C2S3)OC(=O)C","IWQJIJAJNUZRDV-ZBONBFHTSA-N",382723,NA,"PDBC46893","670393","Present",NA,NA
+"46894","NSC670422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670422",NA,"COC(=O)C=CC1=CC2=C(CC3(C2)CC4=C(C3)C=C(C=C4)C=CC(=O)OC)C=C1","UFAVLSDSJVPSIE-VTBWALSUSA-N",54611283,NA,"PDBC46894","670422","Present",NA,NA
+"46895","NSC670532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670532",NA,"CC1=CC=C(C=C1)SCC(C(C)F)OCN2C=NC3=C2N=C(N=C3Cl)N","UHXLNVMBZUCBEM-AMGKYWFPSA-N",382804,NA,"PDBC46895","670532","Present",NA,NA
+"46896","NSC670535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670535",NA,"CC1=CC=C(C=C1)SCC(C(C)F)OCN2C=NC3=C(N=CN=C32)N","RKNPTNALCDEBCL-NBFOIZRFSA-N",382807,NA,"PDBC46896","670535","Present",NA,NA
+"46897","NSC670550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670550",NA,"CC1=C(N(C2=C1C(=NC(=N2)S(=O)(=O)C)S(=O)(=O)C)C3=CC=CC=C3)C","XBWWRSWVCDDZLR-UHFFFAOYSA-N",382814,NA,"PDBC46897","670550","Present",NA,NA
+"46898","NSC670552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670552",NA,"CC1(C(=CC(=CC(=O)OC)C(=O)OC)C(=C(N1C2=CC=C(C=C2)Cl)N)C#N)C(=CC(=O)OC)C(=O)OC","LBTCIJAMDZQOQH-LRANRJAFSA-N",5468447,NA,"PDBC46898","670552","Present",NA,NA
+"46899","NSC670555",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670555",NA,"C1CN(CCN1CCCCN2C3=C(C=CC=N3)OC2=O)C4=CC=CC=C4.C(=O)(C(=O)O)O","CZWMNIJDJNGSLC-UHFFFAOYSA-N",382818,NA,"PDBC46899","670555","Present",NA,NA
+"46900","NSC670564",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670564",NA,"CC(C)(C)C(=O)OC1C=CC(C2C1C3CC2C=C3)O","LLYGSSQSUJPRLF-OKDXSUHISA-N",382828,NA,"PDBC46900","670564","Present",NA,NA
+"46901","NSC670655",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670655",NA,"CC1CC(C2(C#CC=CC#CC3C14C2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)O)(OC)OC","QFEWFWSZRWJSHW-HPCMTVGLSA-N",54608144,NA,"PDBC46901","670655","Present",NA,NA
+"46902","NSC670656",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670656",NA,"CC1CC(=O)C2(C#CC=CC#CC3C14C2(O4)C5=CC(=C6C(=C5N3)C(=O)C7=CC=CC=C7C6=O)O)O","IQYRZKUVJRVIFN-HYGYKECYSA-N",54608726,NA,"PDBC46902","670656","Present",NA,NA
+"46903","NSC670675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670675",NA,"CC1(OC2CN3C4=CC=CC=C4C(=C3C2O1)C#N)C","XGSSXRLHOPZAIF-JSGCOSHPSA-N",382845,NA,"PDBC46903","670675","Present",NA,NA
+"46904","NSC670686",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670686",NA,"CN(C)CC1CCCC(=CC2=CC=C(C=C2)Cl)C1=O.Cl","CNECTBMAEYPSKH-RSGUCCNWSA-N",6518800,NA,"PDBC46904","670686","Present",NA,NA
+"46905","NSC670687",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670687",NA,"CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC)C1=O.Cl","TUQSDJUBHONAPY-JHGYPSGKSA-N",5468453,NA,"PDBC46905","670687","Present",NA,NA
+"46906","NSC670688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670688",NA,"CN(C)CC1CCCC(=CC2=CC(=C(C=C2)Cl)Cl)C1=O.Cl","QOZHKIMARDAGGV-MXZHIVQLSA-N",5468455,NA,"PDBC46906","670688","Present",NA,NA
+"46907","NSC670774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670774",NA,"COC1=C(C=CC(=C1)C=CC=C2CCC(=CC=CC3=CC(=C(C=C3)O)OC)C2=O)O","GYYPECSETJYYJN-SHDPOBJKSA-N",5468459,NA,"PDBC46907","670774","Present",NA,NA
+"46908","NSC670784",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670784",NA,"CCC(C)NC(=S)NN=C(C)C1=CC=CC=N1","VVADGNWOIMEZIO-XNTDXEJSSA-N",5494342,NA,"PDBC46908","670784","Present",NA,NA
+"46909","NSC670785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670785",NA,"CCCCCCNC(=S)NN=C(C)C1=CC=CC=N1","SELXMLOQVKKJFK-SFQUDFHCSA-N",5465988,NA,"PDBC46909","670785","Present",NA,NA
+"46910","NSC670788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670788",NA,"CC(=NNC(=S)NC(C)(C)C)C1=CC=CC=N1","LUHMLCJMYUCKTQ-OQLLNIDSSA-N",5494343,NA,"PDBC46910","670788","Present",NA,NA
+"46911","NSC670825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670825",NA,"C1=CC(=CC=C1C=CC(=O)O)OS(=O)(=O)O.[K+]","LAJNBQXWEBCITO-ZIKNSQGESA-N",54608658,NA,"PDBC46911","670825","Present",NA,NA
+"46912","NSC670826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670826",NA,"COC1=C(C=CC(=C1)C=CC(=O)O)OS(=O)(=O)O.[K+]","KNKHUQAHFAWKIJ-WGCWOXMQSA-N",54602109,NA,"PDBC46912","670826","Present",NA,NA
+"46913","NSC670862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670862",NA,"C[N+](C)(C)CCCCCC1=C2C=CC(=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC1=N5)CCCCC[N+](C)(C)C)CCCCC[N+](C)(C)C)CCCCC[N+](C)(C)C)N2.[Cl-]","NVOSGFCDBWWGBH-UHFFFAOYSA-M",382957,NA,"PDBC46913","670862","Present",NA,NA
+"46914","NSC670863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670863",NA,"CCOC(=O)C(=C(N)N1CCCC1)SC#N","OTIGOGPEDKRGGU-CMDGGOBGSA-N",5468482,NA,"PDBC46914","670863","Present",NA,NA
+"46915","NSC670871",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670871",NA,"CCC(C)OC(=O)C(=C1C2=CC=CC=C2C3=CC=CC=C3C(=O)O1)Br","OIQVXJKBGVCCMO-ZCXUNETKSA-N",5468483,NA,"PDBC46915","670871","Present",NA,NA
+"46916","NSC670877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670877",NA,"C1CSC2=NC(=C(N21)C=NN=C(N)N)Cl.Cl","BOPTXZBKWKAEAD-KODGKZAJSA-N",9571914,NA,"PDBC46916","670877","Present",NA,NA
+"46917","NSC670878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670878",NA,"C1CSC2=NC(=C(N21)C=NN=C(N)N)C3=CC=C(C=C3)Cl.Cl","KLZSWBNXFJENNC-VYYXIRCESA-N",9571916,NA,"PDBC46917","670878","Present",NA,NA
+"46918","NSC670973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670973",NA,"C1OC(C(C(C(O1)CN=[N+]=[N-])OCCOCCCl)OCCOCCCl)CN=[N+]=[N-]","HOSKGKHXKBOJOX-KBUPBQIOSA-N",383004,NA,"PDBC46918","670973","Present",NA,NA
+"46919","NSC670974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670974",NA,"C1COC2C(OCOC(C2OCCOCCOC3=CC=CC=C3OCCO1)CN=[N+]=[N-])CN=[N+]=[N-]","OVQXDKGGXYRTEB-XRXFAXGQSA-N",383005,NA,"PDBC46919","670974","Present",NA,NA
+"46920","NSC671010",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671010",NA,"C1(C(C2=C(SC(=C2C1O)Br)Br)N)O.Cl","PEPOIAKGOKHUEO-YMDUGQBDSA-N",383028,NA,"PDBC46920","671010","Present",NA,NA
+"46921","NSC671017",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671017",NA,NA,NA,NA,NA,"PDBC46921","671017","Present",NA,NA
+"46922","NSC671018",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671018",NA,"CCC1C2C(CN(C2=O)C)N(O1)C","WPMZCAKQMLGJBG-BIIVOSGPSA-N",6712342,NA,"PDBC46922","671018","Present",NA,NA
+"46923","NSC671019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671019",NA,"CN1CC2C(C1=O)C(ON2C)C3=CC=CC=C3","XSOYHCDJOSZNBP-TUAOUCFPSA-N",6712343,NA,"PDBC46923","671019","Present",NA,NA
+"46924","NSC671020",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671020",NA,"CN1CC2C(C1=O)C(ON2C)C3=CC=C(C=C3)[N+](=O)[O-]","MHADFMPWEVDBQT-TUAOUCFPSA-N",383038,NA,"PDBC46924","671020","Present",NA,NA
+"46925","NSC671021",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671021",NA,"CN1CC2C(C1=O)C(ON2C)C3=CC=C(C=C3)OC","WOBXJFCJABJRPP-XQQFMLRXSA-N",383039,NA,"PDBC46925","671021","Present",NA,NA
+"46926","NSC671146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671146",NA,"COC(=O)C(=C(NC1=CC=CC=C1)N2CCCC2)C#N","FFKAZYWAFCMPMU-BUHFOSPRSA-N",5468513,NA,"PDBC46926","671146","Present",NA,NA
+"46927","NSC671147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671147",NA,"COC(=O)C(=C(NC1=CC=CC=C1)N2CCCCC2)C#N","XDXQRIITSBUTGK-CCEZHUSRSA-N",5468514,NA,"PDBC46927","671147","Present",NA,NA
+"46928","NSC671148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671148",NA,"COC(=O)C(=C(NC1=CC=CC=C1)N2CCOCC2)C#N","KGWUPQZAVNOYRS-BUHFOSPRSA-N",5468515,NA,"PDBC46928","671148","Present",NA,NA
+"46929","NSC671149",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671149",NA,"COC(=O)C(=C(NCCN)NC1=CC=CC=C1)C#N","HWVAPXOGXZCKGQ-QXMHVHEDSA-N",5468516,NA,"PDBC46929","671149","Present",NA,NA
+"46930","NSC671150",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671150",NA,"COC(=O)C(=C(NCC1=CC=CC=C1)NC2=CC=CC=C2)C#N","IDCYILUNFFYACQ-MSUUIHNZSA-N",5468517,NA,"PDBC46930","671150","Present",NA,NA
+"46931","NSC671311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671311",NA,"C1=CC=C2C(=C1)N=C3N2C(=NC4=CC=CC=C4S3)N.Cl","NVNSRFKULHAGDD-UHFFFAOYSA-N",383190,NA,"PDBC46931","671311","Present",NA,NA
+"46932","NSC671312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671312",NA,"COC1=CC2=C(C=C1)SC3=NC4=CC=CC=C4N3C(=N2)N.Cl","CPGUJRRDYFISLF-UHFFFAOYSA-N",383192,NA,"PDBC46932","671312","Present",NA,NA
+"46933","NSC671316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671316",NA,"CC1=CC2=C(C=C1)N3C(=NC4=CC=CC=C4SC3=N2)N.Cl","CSUUTXSHVYWRSI-UHFFFAOYSA-N",383197,NA,"PDBC46933","671316","Present",NA,NA
+"46934","NSC671329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671329",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C(C4(CCCCC4N=C3S2)O)C5=CC=CC=C5","KJURZTSSAWUYTD-XDJHFCHBSA-N",5468527,NA,"PDBC46934","671329","Present",NA,NA
+"46935","NSC671355",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671355",NA,"CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)SC(=S)N2CCC[N+](C)(C)C.[I-]","MFCYDFZIGYLOAA-UHFFFAOYSA-M",383240,NA,"PDBC46935","671355","Present",NA,NA
+"46936","NSC671356",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671356",NA,"C1=CC=C(C=C1)N=C2N(C(=NS(=O)(=O)C3=CC=CC=C3)C(=NS(=O)(=O)C4=CC=CC=C4)S2)C5=CC=CC=C5","NKZAZPGXFWALFI-MLNBRWFLSA-N",9571922,NA,"PDBC46936","671356","Present",NA,NA
+"46937","NSC671357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671357",NA,"COC1=CC=C(C=C1)N2C(=NS(=O)(=O)C3=CC=CC=C3)C(=NS(=O)(=O)C4=CC=CC=C4)SC2=NC5=CC=CC=C5","SXDRTXJTLFQRSA-HRQDDTSMSA-N",9571923,NA,"PDBC46937","671357","Present",NA,NA
+"46938","NSC671359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671359",NA,"C1=CC=C(C=C1)N=C2C(=NC3=CC=CC=C3)SC(=NN4C(=O)C5=CC=CC=C5C4=O)N2C6=CC=CC=C6","BRUQABNEFUROOG-YYHQVPDTSA-N",5465993,NA,"PDBC46938","671359","Present",NA,NA
+"46939","NSC671373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671373",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2N(C3=CC=CC=C3S2)C","DBPQNNBERNJYOS-FOCLMDBBSA-N",5465994,NA,"PDBC46939","671373","Present",NA,NA
+"46940","NSC671401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671401",NA,"C1=CC=C(C=C1)N=C2C(=S)N(C(=NC3=CC=CC=N3)N2C4=CC=CC=C4)C5=CC=CC=C5","NTFQVQVCZMCMMY-OZCYLJCFSA-N",5902624,NA,"PDBC46940","671401","Present",NA,NA
+"46941","NSC671403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671403",NA,"COC1=CC=C(C=C1)N=C2C(=S)N(C(=NS(=O)(=O)C3=CC=CC=C3)N2C4=CC=CC=C4)C5=CC=C(C=C5)OC","PYNABEMCRVERKY-QJTANCKDSA-N",6273971,NA,"PDBC46941","671403","Present",NA,NA
+"46942","NSC671407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671407",NA,"C1=CC=C(C=C1)C=CC(=O)C=NN2C(=NC3=CC=CC=C3)C(=NC4=CC=CC=C4)N(C2=S)C5=CC=CC=C5","QZKRERPNEFQPPH-XJOPLITBSA-N",9556176,NA,"PDBC46942","671407","Present",NA,NA
+"46943","NSC671411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671411",NA,"C1C2CC3CC1CC(C2)(C3)N4C(=NC5=CC=CC=C5)C(=NC6=CC=CC=C6)N(C4=S)N=CC7=CC=CC=C7O","SNMCAPVOYKGNHG-AQUDJDDUSA-N",135509183,NA,"PDBC46943","671411","Present",NA,NA
+"46944","NSC671416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671416",NA,"CN1C2=CC=CC=C2SC1=NN=C3SC(=NC4=CC=C(C=C4)OC)C(=NC5=CC=C(C=C5)OC)S3","CTIGUEAQJCHFJE-BREXMFFZSA-N",5465995,NA,"PDBC46944","671416","Present",NA,NA
+"46945","NSC671432",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671432",NA,"CN=C(NC1=CC=CC(=C1)C(F)(F)F)SCC2=CC=C(C=C2)N=C=S.Br","FCTSYDODZONFIK-UHFFFAOYSA-N",383321,NA,"PDBC46945","671432","Present",NA,NA
+"46946","NSC671449",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671449",NA,"C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)C=NN=C(N)N.Cl","AGTFLDZRCVPHOQ-SQIOZQJDSA-N",6474488,NA,"PDBC46946","671449","Present",NA,NA
+"46947","NSC671450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671450",NA,"CC1=CC=C(C=C1)C2=C(N3CCSC3=N2)C=NN=C(N)N.Cl","IHKLCLRFBWPXDE-LIUCOPNQSA-N",6474489,NA,"PDBC46947","671450","Present",NA,NA
+"46948","NSC671451",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671451",NA,"CC1=NC2=CC=CC=C2C(=C1)CC3C4C(C5C(O3)OC(O5)(C)C)OC(O4)(C)C","HDWJGUZZEXALAJ-LCWAXJCOSA-N",383337,NA,"PDBC46948","671451","Present",NA,NA
+"46949","NSC671455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671455",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N2C(C(OC2=O)C(C)(C)C(=O)OC)C(C)C)C","GXCCAPYMBMUOOK-DOTOQJQBSA-N",383341,NA,"PDBC46949","671455","Present",NA,NA
+"46950","NSC671545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671545",NA,"C1=CC=C(C=C1)C(=NNC(=O)C2=CC=NC=C2)C(F)(F)F","HSLNJPGFVWIQSL-UNOMPAQXSA-N",5347051,NA,"PDBC46950","671545","Present",NA,NA
+"46951","NSC671546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671546",NA,"CC(=NNC(=O)C1=CC=NC=C1)C(F)(F)F","KKECQLSDZHKDEC-NSIKDUERSA-N",5480617,NA,"PDBC46951","671546","Present",NA,NA
+"46952","NSC671547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671547",NA,"COC(=NN1CC1C(F)(F)F)C2=CC=NC=C2","RKHQBHDYEQXEQS-OQLLNIDSSA-N",5481667,NA,"PDBC46952","671547","Present",NA,NA
+"46953","NSC671548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671548",NA,"COC(=NN=C(C1=CC=CC=C1)C(F)(F)F)C2=CC=NC=C2","WUVNJAKUTJBNHW-NAWSQEDCSA-N",9571926,NA,"PDBC46953","671548","Present",NA,NA
+"46954","NSC671549",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671549",NA,"CC(=NN=C(C1=CC=NC=C1)OC)C(F)(F)F","XJKVSDKVUUZIOZ-YKYPLBCCSA-N",9571927,NA,"PDBC46954","671549","Present",NA,NA
+"46955","NSC671551",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671551",NA,"CC1C(=O)N(C(S1)C2=C(C=C(C=C2)Cl)Cl)NC(=O)C3=CC=NC=C3","OUFBVXRHAXPBPF-MGFKIWBESA-N",383381,NA,"PDBC46955","671551","Present",NA,NA
+"46956","NSC671638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671638",NA,"C1C(C2(C(CC1=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=CC=CC=C5","JCRKSTFTQQLWFT-ZRZAMGCNSA-N",383408,NA,"PDBC46956","671638","Present",NA,NA
+"46957","NSC671639",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671639",NA,"CC(=O)OC1=CC=CC=C1C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5OC(=O)C","OJGJWDFMQZPOPU-JWQCQUIFSA-N",383409,NA,"PDBC46957","671639","Present",NA,NA
+"46958","NSC671640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671640",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=CC(=C(C(=C5)OC)OC)OC","NLOULXNEGAPOCR-DHIUTWEWSA-N",383410,NA,"PDBC46958","671640","Present",NA,NA
+"46959","NSC671664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671664",NA,"COC1=C(C=C(C=C1)C(=C(CNC2=CC=CC=N2)C3=CC=CC=C3)Cl)OC","NRLLCNUTLMMOLE-PYCFMQQDSA-N",5468559,NA,"PDBC46959","671664","Present",NA,NA
+"46960","NSC671807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671807",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","CTPGLRSMEZXAFK-UHFFFAOYSA-N",383440,NA,"PDBC46960","671807","Present",NA,NA
+"46961","NSC671810",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671810",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=CC=C4","FNTOYVOLRKEOFP-UHFFFAOYSA-N",383443,NA,"PDBC46961","671810","Present",NA,NA
+"46962","NSC671855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671855",NA,"CC(C)C(COC)N=CC1=CC=C(C=C1)[N+](=O)[O-]","MKCCUPZRBMJIRO-CYBMUJFWSA-N",383469,NA,"PDBC46962","671855","Present",NA,NA
+"46963","NSC671856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671856",NA,"CC(C)C(COC)N=CC1=CC=C(C=C1)OC","MONVNSWGRGLHCL-CQSZACIVSA-N",383470,NA,"PDBC46963","671856","Present",NA,NA
+"46964","NSC671872",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671872",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC(=CC=C7)[N+](=O)[O-])(CO4)OC(=O)C)O)C)OC(=O)C","RTXSMQCFFXZLPU-MZXODVADSA-N",383481,NA,"PDBC46964","671872","Present",NA,NA
+"46965","NSC671876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671876",NA,"C1=CC=C(C=C1)C2=N[N+]3=C(N(N=C3S2)CC(=O)C4=CC=CC=C4)N.[Br-]","IEEPRWIYWDXNSX-UHFFFAOYSA-N",383488,NA,"PDBC46965","671876","Present",NA,NA
+"46966","NSC671923",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671923",NA,NA,NA,NA,NA,"PDBC46966","671923","Present",NA,NA
+"46967","NSC671926",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671926",NA,NA,NA,NA,NA,"PDBC46967","671926","Present",NA,NA
+"46968","NSC671958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671958",NA,"CC1(N(C(=NP1(=O)O)NC#N)C)C.N","LFVOTZYHKIJDEJ-UHFFFAOYSA-N",383539,NA,"PDBC46968","671958","Present",NA,NA
+"46969","NSC671967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671967",NA,"CC(C)C(=NOC(C(F)(F)F)(C(F)(F)F)NC(=O)P(=O)(C1=CC=CC=C1)C2=CC=CC=C2)Cl","NATGWUKLXSZRBK-MUFRIFMGSA-N",5466012,NA,"PDBC46969","671967","Present",NA,NA
+"46970","NSC672041",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672041",NA,"CCCC(=NOC(=O)NC1=CC=C(C=C1)Br)Cl","VXRQUUTTYZYBRH-XNTDXEJSSA-N",5466017,NA,"PDBC46970","672041","Present",NA,NA
+"46971","NSC672042",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672042",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=O)ON=C(C(C)C)Cl","NNNCJXIWPYCBCO-SFQUDFHCSA-N",5494344,NA,"PDBC46971","672042","Present",NA,NA
+"46972","NSC672046",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672046",NA,"CC(C)C(=NOC(=O)NC1=CC=CC=C1OC)Cl","KALBTDIAXBSMNQ-RVDMUPIBSA-N",5466020,NA,"PDBC46972","672046","Present",NA,NA
+"46973","NSC672047",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672047",NA,"C1=CC(=CC(=C1)NC(=O)ON=C(CCl)Cl)C(F)(F)F","AJNYXOOVOWLZEW-CAOOACKPSA-N",5466021,NA,"PDBC46973","672047","Present",NA,NA
+"46974","NSC672048",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672048",NA,"CCOC(=O)C1=CC=C(C=C1)NC(=O)ON=C(CCl)Cl","BNOOTPRVWGIWIX-MHWRWJLKSA-N",5466022,NA,"PDBC46974","672048","Present",NA,NA
+"46975","NSC672049",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672049",NA,"CCCC(=NOC(=O)NC1=CC=CC(=C1)C(F)(F)F)Cl","ZZIIPDINXTXPCU-VCHYOVAHSA-N",5466023,NA,"PDBC46975","672049","Present",NA,NA
+"46976","NSC672050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672050",NA,"CC(C)C(=NOC(=O)NC1=CC(=CC=C1)Cl)Cl","BJNQHWUEXHGPJR-XNTDXEJSSA-N",5466024,NA,"PDBC46976","672050","Present",NA,NA
+"46977","NSC672052",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672052",NA,"CC(C)C(=NOC(=O)NC1=CC(=CC=C1)F)Cl","GHOSAJILDFXTRJ-XNTDXEJSSA-N",5480940,NA,"PDBC46977","672052","Present",NA,NA
+"46978","NSC672053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672053",NA,"CC(C)C(=NOC(=O)NC1=CC=CC=C1F)Cl","YCDALHLZEUKJJQ-XNTDXEJSSA-N",5466026,NA,"PDBC46978","672053","Present",NA,NA
+"46979","NSC672055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672055",NA,"CC(C)C(=NOC(=O)NC1=C(C=C(C=C1)F)F)Cl","JYWOQKWVHCERNF-MHWRWJLKSA-N",5466028,NA,"PDBC46979","672055","Present",NA,NA
+"46980","NSC672057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672057",NA,"CCC(=NOC(=O)NC1=CC=C(C=C1)C#N)Cl","ILPQFUUYYJDRHN-XNTDXEJSSA-N",5466029,NA,"PDBC46980","672057","Present",NA,NA
+"46981","NSC672058",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672058",NA,"CC(C)C(=NOC(=O)NC1=CC=C(C=C1)C#N)Cl","WTQKGQICDHSYST-LFIBNONCSA-N",5466030,NA,"PDBC46981","672058","Present",NA,NA
+"46982","NSC672117",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672117",NA,"CC12CCC3C(O3)(C(CC4C(C1O2)OC(=O)C4=C)O)C","LWONQONPHFIJAL-TXUGDFMYSA-N",383697,NA,"PDBC46982","672117","Present",NA,NA
+"46983","NSC672118",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672118",NA,"CC12CCC3C(O3)(C(CC4C(C1O2)OC(=O)C4=C)O)C","LWONQONPHFIJAL-ATCSSJTRSA-N",383698,NA,"PDBC46983","672118","Present",NA,NA
+"46984","NSC672119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672119",NA,"CC1C2CC(C(=CCCC3(C(C2OC1=O)O3)C)C)O","ZEZFRBHOAWDOET-PGZSKKBPSA-N",54608852,NA,"PDBC46984","672119","Present",NA,NA
+"46985","NSC672124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672124",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=CC=C3","YEGXVLDEOIDHGW-SMJBBXKVSA-N",54681655,NA,"PDBC46985","672124","Present",NA,NA
+"46986","NSC672125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672125",NA,"COC(=O)C1CCC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC","FTIXWUBFTAXERU-XQTSONMXSA-N",54681656,NA,"PDBC46986","672125","Present",NA,NA
+"46987","NSC672126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672126",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC","MRGZUAQTUKEBIR-XIVCSLGUSA-N",54681657,NA,"PDBC46987","672126","Present",NA,NA
+"46988","NSC672127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672127",NA,"CC1C(C(C2(C(C1C(=C(C2C(=O)OC)O)C(=O)OC)C(=O)OC)O)C(=O)OC)C","WTARNIIZXJFCAC-PDAUWYDZSA-N",54681658,NA,"PDBC46988","672127","Present",NA,NA
+"46989","NSC672134",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672134",NA,"C1C2C3C(C(C(O2)O)OC(=O)C4=CC(=C(C(=C4OC5=C(C(=C6C(=C5)C(=O)OCC7C(C(C(C(O7)O)OC(=O)C8=CC(=C(C(=C8OC9=C(C(=C(C(=C9)C(=O)O3)C2=C(C(=C(C=C2C(=O)O1)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O)OC(=O)C1=CC(=C(C(=C16)O)O)O)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)O)O)O","YSLFLCIPPPJEHH-UHFFFAOYSA-N",16129800,NA,"PDBC46989","672134","Present",NA,NA
+"46990","NSC672137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672137",NA,"CCOC(=O)C(=NO)CC1C(OC(O1)(C)C)C2COC(O2)(C)C","RNPOUQFDDFZHFE-IIJMIFMCSA-N",9571930,NA,"PDBC46990","672137","Present",NA,NA
+"46991","NSC672140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672140",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NC(P(=O)(O)O)P(=O)(O)O)C(=O)O.[Na+]","KIDIMQGKCHBQGL-UHFFFAOYSA-N",54598846,NA,"PDBC46991","672140","Present",NA,NA
+"46992","NSC672141",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672141",NA,"CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)NCCC(P(=O)(O)O)P(=O)(O)O)C(=O)O.[Na+]","ORPRNQRJVHUFKT-UHFFFAOYSA-N",54608805,NA,"PDBC46992","672141","Present",NA,NA
+"46993","NSC672153",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672153",NA,"CCCCCC(=NC1=C(NC=N1)C(=O)N)OCC","OPSNQZWNAQEQDJ-CXUHLZMHSA-N",6392792,NA,"PDBC46993","672153","Present",NA,NA
+"46994","NSC672156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672156",NA,"CN(C1CCCCC1)C2=CN(C(=O)NC2=O)C3CCC(O3)CO","DMTNMFQFGOJLAG-NBFOIZRFSA-N",383727,NA,"PDBC46994","672156","Present",NA,NA
+"46995","NSC672159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672159",NA,"CSC(=S)CC(C1CC2C3=CC=CC=C3C1C4=CC=CC=C24)O","HBXQKYHUVCXNNU-POAOYLCXSA-N",383730,NA,"PDBC46995","672159","Present",NA,NA
+"46996","NSC672160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672160",NA,"CC1(OC2C(CC(C2O1)C#N)COC(=O)C3=CC=CC=C3)C","DLAODCJWLJDQEV-LJISPDSOSA-N",383731,NA,"PDBC46996","672160","Present",NA,NA
+"46997","NSC672161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672161",NA,"C1C(C(C(C1C2=NNN=N2)O)O)CO","SUMFTKMKVUFIPH-CNKSGKBASA-N",383732,NA,"PDBC46997","672161","Present",NA,NA
+"46998","NSC672195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672195",NA,"COC1=CC2=C(C=C1)N=C(C=C2)C(=CC#N)N","KHALSODSJYZRDR-IZZDOVSWSA-N",5468595,NA,"PDBC46998","672195","Present",NA,NA
+"46999","NSC672202",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672202",NA,"CCOC(=O)C(C)(C(=CCl)Cl)C(=O)OCC","OMZIJNQLYDINET-VOTSOKGWSA-N",5468596,NA,"PDBC46999","672202","Present",NA,NA
+"47000","NSC672204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672204",NA,"CCOC(=O)C(C)(C)C=CC(=C(Cl)Cl)Cl","PYBKXASKAJGAFT-WAYWQWQTSA-N",5468597,NA,"PDBC47000","672204","Present",NA,NA
+"47001","NSC672221",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672221",NA,"CC(C(C(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)NC(=O)OCC=C","RDURSHAKAIHFIZ-AZQKHBBHSA-N",6712349,NA,"PDBC47001","672221","Present",NA,NA
+"47002","NSC672223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672223",NA,"CC1CCC2C(=C(C(=O)C2(CC=C(CCC=C(CCC1OC(=O)C)C)C)C)OC(=O)C)C(C)COC(=O)C","IPTSNIQDTMWNTA-DXMXTUCYSA-N",5468604,NA,"PDBC47002","672223","Present",NA,NA
+"47003","NSC672229",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672229",NA,"C1C2C(C3C(C2(C4=CC=CC=C4NC1=O)O)C(=O)NC5=CC=CC=C5C3=O)C6=CC=C(C=C6)Br","BEYPYNZXQJGYRN-CWDIBNIISA-N",6712350,NA,"PDBC47003","672229","Present",NA,NA
+"47004","NSC672261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672261",NA,"CC1CCC(C(C1)OC(=O)C=C2C3C=CC(C2C(=O)OC4CC(CCC4C(C)C)C)O3)C(C)C","LFRMIUNYOKFGNU-JUFQSBHDSA-N",5468605,NA,"PDBC47004","672261","Present",NA,NA
+"47005","NSC672262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672262",NA,"CC1CCC(C(C1)OC(=O)C=C2C3C=CC(C2C(=O)OC4CC(CCC4C(C)C)C)O3)C(C)C","LFRMIUNYOKFGNU-FQXXHRIDSA-N",5468606,NA,"PDBC47005","672262","Present",NA,NA
+"47006","NSC672293",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672293",NA,"CCOC(=O)C(=NNC1=CC=C(C=C1)Cl)N2C(=S)C=C(NN(C2=S)C)C","RPSRVXXWKLWNBA-RGEXLXHISA-N",5466036,NA,"PDBC47006","672293","Present",NA,NA
+"47007","NSC672294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672294",NA,"CCOC(=O)C(=NNC1=CC=C(C=C1)C)N2C(=S)C=C(NN(C2=S)C)C","KOWHQYVLLHOCFT-CYVLTUHYSA-N",5466037,NA,"PDBC47007","672294","Present",NA,NA
+"47008","NSC672295",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672295",NA,"CCOC(=O)C(=NNC1=CC=CC=C1)N2C(=S)C=C(NN(C2=S)C)C","OGOWHUPDVZNISS-JXAWBTAJSA-N",5466038,NA,"PDBC47008","672295","Present",NA,NA
+"47009","NSC672370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672370",NA,"CCCC1(C2=C(C=CC(=C2)C=NO)C3=C1C=C(C=C3)C4=CC=C(C=C4)C(C)(C)C)CCC","KSKXJUNBPNCSEW-GTWSWNCMSA-N",5929832,NA,"PDBC47009","672370","Present",NA,NA
+"47010","NSC672438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672438",NA,"C1CCNOC(=O)CCC(C(=O)NC(C(=O)NC(C1)C(=O)N2CCCC2C(=O)NCC(=O)N)CC3=CNC4=CC=CC=C43)NC(=O)OCC5C6=CC=CC=C6C7=CC=CC=C57","SILIGTWWNBSTBB-UHFFFAOYSA-N",383821,NA,"PDBC47010","672438","Present",NA,NA
+"47011","NSC672440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672440",NA,"CC(C)(C)OC(=O)NC1CCN(C1=O)C2CCCCC2","VUZXCHZKFMFGBO-LBPRGKRZSA-N",383823,NA,"PDBC47011","672440","Present",NA,NA
+"47012","NSC672462",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672462",NA,"CC(C(C(=O)N)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(C(C)OCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)OCC8=CC=CC=C8","JIYFPQBWNJZYOY-UHFFFAOYSA-N",16130239,NA,"PDBC47012","672462","Present",NA,NA
+"47013","NSC672463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672463",NA,"CC(C(C(=O)N)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(C(C)OCC1=CC=CC=C1)NC(=O)C(CCCCNC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CN(C4=CC=CC=C43)C=O)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7=CC=CC=C7)OCC8=CC=CC=C8","YEHRJZGXYYZHST-UHFFFAOYSA-N",16129803,NA,"PDBC47013","672463","Present",NA,NA
+"47014","NSC672465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672465",NA,"CC(C(C(=O)NC(CSN(C)C(=O)C)C(=NO)O)NC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CN(C3=CC=CC=C32)C=O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)OCC6=CC=CC=C6)OCC7=CC=CC=C7","QVMBYGQHCSVKLX-UHFFFAOYSA-N",54608576,NA,"PDBC47014","672465","Present",NA,NA
+"47015","NSC672554",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672554",NA,"CC(=O)OCC(C(C1C(C2CC(CO1)ON2CC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C","BXGWNFHRXZGCEG-RFZFRQTISA-N",383843,NA,"PDBC47015","672554","Present",NA,NA
+"47016","NSC672646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672646",NA,"CC(C)NCC(C1=C(C(=C(C=C1)OCC2=CC=CC=C2)OCC3=CC=CC=C3)C4=CC=CC=C4)O.Cl","DGHWCPIOEAXBPM-UHFFFAOYSA-N",383864,NA,"PDBC47016","672646","Present",NA,NA
+"47017","NSC672654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672654",NA,"CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCC2C(=O)O)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CC=CC=C5)N)OC(C)(C)C","XXEPAYVOJKAAPV-QDYBJVGGSA-N",6712351,NA,"PDBC47017","672654","Present",NA,NA
+"47018","NSC672655",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672655",NA,"CC(C1C(=O)NC(C(=O)NC2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCNC(=O)OC(C)(C)C)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)OC(C)(C)C","WOCKAIWAPUEIJF-FOUOKURNSA-N",383873,NA,"PDBC47018","672655","Present",NA,NA
+"47019","NSC672657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672657",NA,"CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC2CCCC2C(=O)OCC3=CC=CC=C3)NC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=CC=CC=C6)NC(=O)OCC7C8=CC=CC=C8C9=CC=CC=C79)OC(C)(C)C","NMCVWBPAOASJSU-PNQYNCJASA-N",16134275,NA,"PDBC47019","672657","Present",NA,NA
+"47020","NSC672658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672658",NA,"CC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCC2NC(=O)C(CC3=CC=C(C=C3)OC(C)(C)C)NC(=O)OC(C)(C)C","BINIDQPUTDYBJU-RCPANXSKSA-N",383876,NA,"PDBC47020","672658","Present",NA,NA
+"47021","NSC672659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672659",NA,"CC(C)C(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCC2NC(=O)C(CC3=CC=C(C=C3)O)N.C(=O)(C(F)(F)F)O","PIHPGUUMVULIIS-CAYXXSQSSA-N",383877,NA,"PDBC47021","672659","Present",NA,NA
+"47022","NSC672660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672660",NA,"CC(C)(C)OC1=CC=C(C=C1)CC(C(=O)NC2CCC(C2)C(=O)O)NC(=O)OC(C)(C)C","CSXXRAMOLIGYIL-YGYNJSFOSA-N",383879,NA,"PDBC47022","672660","Present",NA,NA
+"47023","NSC672661",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672661",NA,"CC(C)CC(C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCC(C2)NC(=O)C(CC3=CC=C(C=C3)OC(C)(C)C)NC(=O)OC(C)(C)C","DIUSNMDIOAAOJJ-CYFSGAMXSA-N",383880,NA,"PDBC47023","672661","Present",NA,NA
+"47024","NSC672666",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672666",NA,"C1=CC=C(C=C1)CC(C(=O)NC(CC2=CC=CC=C2)NC(=O)C(CC3=CNC4=CC=CC=C43)C(=O)O)N.C(=O)(C(F)(F)F)O","IQFWTZDCQUYZJC-UHFFFAOYSA-N",383884,NA,"PDBC47024","672666","Present",NA,NA
+"47025","NSC672671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672671",NA,"CC(C)CC1C(=O)NCCC(C(=O)NC(C(=O)NC(NC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)N.C(=O)(C(F)(F)F)O","NRNTUDQGXVPJPR-UHFFFAOYSA-N",22210525,NA,"PDBC47025","672671","Present",NA,NA
+"47026","NSC672673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672673",NA,"COC(=O)C1CC1NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3","MMNWPZHESHCHSV-ABZYKWASSA-N",383888,NA,"PDBC47026","672673","Present",NA,NA
+"47027","NSC672674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672674",NA,"CC(C)(C)OC(=O)CC(C(=O)NC1CCCCC1C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","VEBZGYRYKZBNKG-OSBQEZSISA-N",383889,NA,"PDBC47027","672674","Present",NA,NA
+"47028","NSC672864",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672864",NA,"CCOP(=O)(C(=CC1=CC=CN1N(C)C)C#N)OCC","VHILLNLPYVSLHJ-JLHYYAGUSA-N",5468611,NA,"PDBC47028","672864","Present",NA,NA
+"47029","NSC672868",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672868",NA,"C1=C(OC(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C=CC#N","QOOXKGVZACWCAL-UPHRSURJSA-N",5468615,NA,"PDBC47029","672868","Present",NA,NA
+"47030","NSC672908",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672908",NA,"C1=CC=C(C=C1)C2C(C3=CC4=C5C(=C3OC2C6=CC=CC=C6)C=CC=C5C(=O)O4)C7=CC=C(C=C7)Cl","UFMHGPGZKDVUEK-OYKXOOMRSA-N",383944,NA,"PDBC47030","672908","Present",NA,NA
+"47031","NSC672916",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672916",NA,"C1=CC=C(C=C1)CC(C(=O)NCP(=O)(O)O)NC(=O)CCC(C(=O)O)N","WWJKGAUJDBLIOQ-PXYINDEMSA-N",383952,NA,"PDBC47031","672916","Present",NA,NA
+"47032","NSC672917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672917",NA,"C(CC(=O)NCP(=O)(O)O)C(C(=O)O)N","GWOPGJQZELPHHS-BYPYZUCNSA-N",383953,NA,"PDBC47032","672917","Present",NA,NA
+"47033","NSC672969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672969",NA,"C1C(C1N2C=NC3=C(N=CN=C32)N)CO","FIGKUPLEYZSJGF-PHDIDXHHSA-N",383965,NA,"PDBC47033","672969","Present",NA,NA
+"47034","NSC672970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672970",NA,"C1C(C1N2C=NC3=C(N=CN=C32)N)CO","FIGKUPLEYZSJGF-NTSWFWBYSA-N",383966,NA,"PDBC47034","672970","Present",NA,NA
+"47035","NSC672971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672971",NA,"CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Na+]","GIDKNZMCLUANDS-UHFFFAOYSA-N",54608779,NA,"PDBC47035","672971","Present",NA,NA
+"47036","NSC672972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672972",NA,"CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O.[Na+]","XIMDISOSNIJATM-UHFFFAOYSA-N",54608853,NA,"PDBC47036","672972","Present",NA,NA
+"47037","NSC672973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672973",NA,"CCCCCCCCCCCCCCCCOCC(CP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)Cl.[Na+]","HAWWRMHBJNDINK-UHFFFAOYSA-N",54608186,NA,"PDBC47037","672973","Present",NA,NA
+"47038","NSC672986",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672986",NA,"CC1CCCC2C1(C(C3=C(C2)OC=C3C)O)C","ANKFPIBCTISOBX-RBDSIQFVSA-N",383983,NA,"PDBC47038","672986","Present",NA,NA
+"47039","NSC672990",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672990",NA,"CC1CC(CC2C1(CC3=C(C2O)OC=C3C)C)OC(=O)C=CSC","PCGQGFYOHXONPG-LBOITUOKSA-N",5468625,NA,"PDBC47039","672990","Present",NA,NA
+"47040","NSC673095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673095",NA,"CCC(=NNC(=S)NN=C(CC)C=CC1=CC=CC=C1)C=CC2=CC=CC=C2","SJZONJBEAGQWKJ-WEKKEFSZSA-N",6477486,NA,"PDBC47040","673095","Present",NA,NA
+"47041","NSC673139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673139",NA,"C1COCCN1C(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])N2CCOCC2","QYGRCTZLAAEGJX-PKNBQFBNSA-N",6268884,NA,"PDBC47041","673139","Present",NA,NA
+"47042","NSC673140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673140",NA,"C1=CC=C(C=C1)NC(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])NC2=CC=CC=C2","IPSXGPJPKLLOEA-FYWRMAATSA-N",5853283,NA,"PDBC47042","673140","Present",NA,NA
+"47043","NSC673143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673143",NA,"CC1C2CC(C1(C)C)C(C2=NO)S(=O)(=O)N3CCOCC3","JTMDMGQYQGJKGV-QINSGFPZSA-N",5466043,NA,"PDBC47043","673143","Present",NA,NA
+"47044","NSC673152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673152",NA,"C1=CC=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","MCSDFYQDURKRBW-PEZBUJJGSA-N",5468634,NA,"PDBC47044","673152","Present",NA,NA
+"47045","NSC673181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673181",NA,"C1CN=C(N1)NN=CC2=CC=CC3=CC4=C(C=NC=C4)N=C32.Br","OOVWIFISAVBZLK-NFLPFLSFSA-N",9571931,NA,"PDBC47045","673181","Present",NA,NA
+"47046","NSC673186",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673186",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=COC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","WMVHMLVSAGPALS-MHHARFCSSA-N",384061,NA,"PDBC47046","673186","Present",NA,NA
+"47047","NSC673187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673187",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CO7)(CO4)OC(=O)C)O)C)OC(=O)C","UCLXBYBARUOWKB-MHHARFCSSA-N",384062,NA,"PDBC47047","673187","Present",NA,NA
+"47048","NSC673189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673189",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=C(C=C7)[N+](=O)[O-])(CO4)OC(=O)C)O)C)OC(=O)C","FWAUXOCKXJSGAC-MZXODVADSA-N",384064,NA,"PDBC47048","673189","Present",NA,NA
+"47049","NSC673190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673190",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=NC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","BUWWMTKSACQRJA-JKZNWJFHSA-N",384065,NA,"PDBC47049","673190","Present",NA,NA
+"47050","NSC673191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673191",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC(=CC=C7)C(F)(F)F)(CO4)OC(=O)C)O)C)OC(=O)C","IGKGYZOULPMYBA-MZXODVADSA-N",384066,NA,"PDBC47050","673191","Present",NA,NA
+"47051","NSC67323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC67323",NA,"CC(=O)C(=NN=C(N)N)C1=CC=CC=C1.OS(=O)(=O)O","QTKAKQVUXCBJFU-KJEVSKRMSA-N",5459265,NA,"PDBC47051","67323","Present",NA,NA
+"47052","NSC673281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673281",NA,"CC1=C(COC1=O)N2CCCC2C(C)(C)OC","INYUTCMLVMUKDF-NSHDSACASA-N",384069,NA,"PDBC47052","673281","Present",NA,NA
+"47053","NSC673295",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673295",NA,"COC1=CC2=C(CC3(C2=O)C(C4C(C3C5=CC=CC=C5)C(=O)C6=C4C=CC(=C6)OC)C7=CC=CC=C7)C=C1","XQHKPBYSCXLPBK-ZJSYICAYSA-N",384073,NA,"PDBC47053","673295","Present",NA,NA
+"47054","NSC673296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673296",NA,"CC1=CC2=C(C=C1)C(=O)C3(C2)C(C4C(C3C5=CC=CC=C5)C(=O)C6=C4C=C(C=C6)C)C7=CC=CC=C7","AGLAXAZTMHLVNX-ZJSYICAYSA-N",384074,NA,"PDBC47054","673296","Present",NA,NA
+"47055","NSC673297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673297",NA,"COC1=C(C=C2C(=C1)CC3(C2=O)C(C4C(C3C5=CC=CC=C5)C(=O)C6=CC(=C(C=C46)OC)OC)C7=CC=CC=C7)OC","DLMZXDOOAMQIFO-OPSWJLOMSA-N",384075,NA,"PDBC47055","673297","Present",NA,NA
+"47056","NSC673298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673298",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(C(C24CC5=CC=CC=C5C4=O)C6=CC(=C(C(=C6)OC)OC)OC)C(=O)C7=CC=CC=C37","KYECQCYEEYSMRL-SIBIUCSDSA-N",384076,NA,"PDBC47056","673298","Present",NA,NA
+"47057","NSC673308",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673308",NA,"CC1=C(C=CC(=C1)C(=NO)C2=CC=CC=C2C3=NC4=CC=CC=C4C(O3)NCC5=CC=CC=C5)OC","QNPWBEVUXCCDMS-MDVFONAFSA-N",135509190,NA,"PDBC47057","673308","Present",NA,NA
+"47058","NSC673309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673309",NA,"CC1=C(C=CC(=C1)C(=NO)C2=CC=CC=C2C3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)S(=O)(=O)NC6=NC=CC=N6)OC","XGWFSFRCXHAZOB-ONQIKCEGSA-N",135509191,NA,"PDBC47058","673309","Present",NA,NA
+"47059","NSC673416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673416",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCN.Cl","PMIVAIZUHSVBPZ-UHFFFAOYSA-N",384128,NA,"PDBC47059","673416","Present",NA,NA
+"47060","NSC673506",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673506",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C3C(C(C(O3)CO)O)O","ALWLOQKKOSDASU-UHFFFAOYSA-N",384176,NA,"PDBC47060","673506","Present",NA,NA
+"47061","NSC673509",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673509",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N=NN3C=CC4=CC=CC=C43","RSBINIDCPAMMCB-HNENSFHCSA-N",135509194,NA,"PDBC47061","673509","Present",NA,NA
+"47062","NSC673512",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673512",NA,"CC(C)C1N(O1)C(C)C2=CC=CC=C2","ANHGNQVTXYRZKT-YDGIUTOCSA-N",384180,NA,"PDBC47062","673512","Present",NA,NA
+"47063","NSC673513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673513",NA,"CC(C)C1C(C(OC(O1)C(C)C)C(F)(F)F)C(=O)OC","LRHVPWQZWWKJHO-BTQIBKBOSA-N",384181,NA,"PDBC47063","673513","Present",NA,NA
+"47064","NSC673514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673514",NA,"C1CCC(CC1)C2C(C(OC(O2)C3CCCCC3)C(F)(F)F)C(=O)O","OSUJCLBTJXTGCB-KLZNWCGWSA-N",384182,NA,"PDBC47064","673514","Present",NA,NA
+"47065","NSC673517",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673517",NA,"C1=CC=C(C=C1)NC=CC2=NN=NN2C3=CC=CC=C3","WLFAAIDOPWMSMR-QXMHVHEDSA-N",5367163,NA,"PDBC47065","673517","Present",NA,NA
+"47066","NSC673603",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673603",NA,"C1CN2CCC3=CC=CC=C3C2CC4=CC=CC=C41.Cl","LERINUCWELPOHA-UHFFFAOYSA-N",384197,NA,"PDBC47066","673603","Present",NA,NA
+"47067","NSC673612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673612",NA,"COC1=C(C(=C2C(=C1)C(N3C(C2=O)CCC3=O)C4=CC=CC=C4)O)OC","XQJJLJLOUMYMST-CWQZNGJJSA-N",384207,NA,"PDBC47067","673612","Present",NA,NA
+"47068","NSC673613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673613",NA,"COC1=C(C(=C2C(=C1)CN3C(C2=O)CCC3=O)O)OC","VMTGWQDILJULSC-QMMMGPOBSA-N",384208,NA,"PDBC47068","673613","Present",NA,NA
+"47069","NSC673616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673616",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=C2)N3C(CCC3=O)C(=O)O","XJWFXGJFQNKXHY-FUKCDUGKSA-N",384211,NA,"PDBC47069","673616","Present",NA,NA
+"47070","NSC673838",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673838",NA,"CC(=NNC(=S)NN=C(C)C=CC1=CC=CC=C1)C=CC2=CC=CC=C2","HUYRYEFQLRCGGD-QZEWYEHCSA-N",6477487,NA,"PDBC47070","673838","Present",NA,NA
+"47071","NSC673843",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673843",NA,"CSC1=C(C(=NC2=C(C(=NN21)N)N=NC3=CC=C(C=C3)Br)N)C#N","ZZECBWFDLDJKKZ-UHFFFAOYSA-N",384285,NA,"PDBC47071","673843","Present",NA,NA
+"47072","NSC673907",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673907",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CC3CC4CCC2C4C3","PGJMKEPVTRHIJD-ISLYRVAYSA-N",9571938,NA,"PDBC47072","673907","Present",NA,NA
+"47073","NSC673917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673917",NA,"COC(=O)C1C2CCC(N2C(=O)N)CC1OC(=O)C3=CC=CC=C3.OS(=O)(=O)O","QLEQDZADLHOXLK-UHFFFAOYSA-N",384300,NA,"PDBC47073","673917","Present",NA,NA
+"47074","NSC673918",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC673918",NA,"CC(=N)OC1CC2CCC1(C2(C)C)C.Cl","ZRQSXZHXVGEDKU-UHFFFAOYSA-N",384302,NA,"PDBC47074","673918","Present",NA,NA
+"47075","NSC674030",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674030",NA,"CN1C2=CC=CC=C2C3=C1C4C(C=CCON4CC3)C(=O)O","DBJZOAREOSCFFY-CJNGLKHVSA-N",384342,NA,"PDBC47075","674030","Present",NA,NA
+"47076","NSC674034",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674034",NA,"C1CC2C3C1C4C2C(=O)OC4C3I","AXJLIBVTGUIXGP-SUMKSWLKSA-N",384343,NA,"PDBC47076","674034","Present",NA,NA
+"47077","NSC674063",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674063",NA,"CC(=O)OC1CN(CC(C1OC(=O)C)OC(=O)C)OCC2=CC=CC=C2","UCDGVVPWANHGAU-JWTNVVGKSA-N",384356,NA,"PDBC47077","674063","Present",NA,NA
+"47078","NSC674064",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674064",NA,"CCCCON1CC(C(C(C1)OC(=O)C)OC(=O)C)OC(=O)C","BXVHWILWXPDAIT-YIONKMFJSA-N",384357,NA,"PDBC47078","674064","Present",NA,NA
+"47079","NSC674065",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674065",NA,"COC1=C(C=C(C=C1)C=C2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4)OC)OC)OC","GMKYVBRSWLJBBE-HYARGMPZSA-N",5468670,NA,"PDBC47079","674065","Present",NA,NA
+"47080","NSC674083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674083",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)N=NC2=CC=C(C=C2)Cl.Cl","MECQNZBYMLFIOS-UHFFFAOYSA-N",384374,NA,"PDBC47080","674083","Present",NA,NA
+"47081","NSC674090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674090",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCCCNCCNC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6.Cl","YSFHVCROKDTCQH-UHFFFAOYSA-N",384382,NA,"PDBC47081","674090","Present",NA,NA
+"47082","NSC674176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674176",NA,"CC(=O)OC1C(OCOC(C1OC(=O)C)CN=[N+]=[N-])CN=[N+]=[N-]","RZYLMGQKXGXGJZ-GWOFURMSSA-N",384404,NA,"PDBC47082","674176","Present",NA,NA
+"47083","NSC674177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674177",NA,"C1COC(C(OCC2=CC(=CC(=C2[O-])COC(C(OCCO1)C3=CC=CC=C3)C4=CC=CC=C4)[N+]5=C(C=C(C=C5C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1","ZFPSLDIJFWVSOW-RLANMGNTSA-N",384405,NA,"PDBC47083","674177","Present",NA,NA
+"47084","NSC674178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674178",NA,"C1C2=NC(=CC=C2)COC(C(OCC3=CC(=CC(=C3[O-])COC(C(O1)C4=CC=CC=C4)C5=CC=CC=C5)[N+]6=C(C=C(C=C6C7=CC=CC=C7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1)C1=CC=CC=C1","YBZSGXAKLFOYBT-BFNAIIQASA-N",16129909,NA,"PDBC47084","674178","Present",NA,NA
+"47085","NSC674182",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674182",NA,"COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)O","HFEXLDAKJKRVGR-UHFFFAOYSA-N",384407,NA,"PDBC47085","674182","Present",NA,NA
+"47086","NSC674183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674183",NA,"COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)Br)O","URPKEYXONVTBBA-UHFFFAOYSA-N",384408,NA,"PDBC47086","674183","Present",NA,NA
+"47087","NSC674184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674184",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O","DPSXXNUNWHUVDI-UHFFFAOYSA-N",384409,NA,"PDBC47087","674184","Present",NA,NA
+"47088","NSC674185",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674185",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)Br)O","WYDFMTIICROOBI-UHFFFAOYSA-N",384410,NA,"PDBC47088","674185","Present",NA,NA
+"47089","NSC674187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674187",NA,"COC(=O)C(CC1=CC=CC=C1)NP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)I)O","GVBRVIKSOFNBJJ-UHFFFAOYSA-N",384412,NA,"PDBC47089","674187","Present",NA,NA
+"47090","NSC674189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674189",NA,"COC(=O)C(CC1=CNC2=CC=CC=C21)NP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)I)O","NZQNXOYKXRFYCG-UHFFFAOYSA-N",384414,NA,"PDBC47090","674189","Present",NA,NA
+"47091","NSC674212",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674212",NA,"C1=CC=C(C=C1)C=C(CN2C=CN=C2)C3=CC=C(C=C3)Cl","QSZMMFOIEFHWQT-ATVHPVEESA-N",5468677,NA,"PDBC47091","674212","Present",NA,NA
+"47092","NSC674213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674213",NA,"C1=CC=C(C=C1)C=C(CN2C=CN=C2)C3=CC=C(C=C3)[N+](=O)[O-]","OWJLTHRXWUXFEI-ATVHPVEESA-N",5468678,NA,"PDBC47092","674213","Present",NA,NA
+"47093","NSC674214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674214",NA,"C1=CC=C(C=C1)C=C(CN2C=CN=C2)C3=CC=C(C=C3)Cl","QSZMMFOIEFHWQT-SFQUDFHCSA-N",5468679,NA,"PDBC47093","674214","Present",NA,NA
+"47094","NSC674219",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674219",NA,"CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C4CCC(=C5C4N(C6=CC=CC=C65)C)C7=CC=CC=C7)C","WINTVAVZIUTRHU-DGFZWTNDSA-N",384438,NA,"PDBC47094","674219","Present",NA,NA
+"47095","NSC674220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674220",NA,"CC1=C2C(C(CC1)C(=O)N3C4CC5CCC4(C5(C)C)CS3(=O)=O)N(C6=CC=CC=C62)S(=O)(=O)C7=CC=CC=C7","IATUUEDPDYQBBT-DGFZWTNDSA-N",384439,NA,"PDBC47095","674220","Present",NA,NA
+"47096","NSC674230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674230",NA,"C1=CC=C(C=C1)OP(=O)(C(C2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3)OC5=CC=CC=C5.Cl","UKYIVMXVJKKGBP-UHFFFAOYSA-N",384449,NA,"PDBC47096","674230","Present",NA,NA
+"47097","NSC674594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674594",NA,"C1CC(C(CC1N)N(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.Cl","PAJOSINUMLBLCW-UHFFFAOYSA-N",384580,NA,"PDBC47097","674594","Present",NA,NA
+"47098","NSC674603",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674603",NA,"C1CCC(C(C1)N)NCCNC2CCCCC2N.Cl","QQAMYBOFACDMSU-UHFFFAOYSA-N",384590,NA,"PDBC47098","674603","Present",NA,NA
+"47099","NSC674707",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674707",NA,"C1CC2=C(C1)C(=O)C3C4C(C2O3)COC4=O","QZDQZPABZVFIRS-SCVMZPAESA-N",384662,NA,"PDBC47099","674707","Present",NA,NA
+"47100","NSC674713",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674713",NA,"CC1=CC2=C(C=C1)OCCC(=NNC3=CC=C(C=C3)Cl)C2=O","MCFYEZLDJMSGHM-HMMYKYKNSA-N",5466098,NA,"PDBC47100","674713","Present",NA,NA
+"47101","NSC674714",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674714",NA,"CC1=CC2=C(C=C1)OCCC(=NNC3=CC=C(C=C3)OC)C2=O","DEPNCMKAEOZOOB-CAPFRKAQSA-N",5466099,NA,"PDBC47101","674714","Present",NA,NA
+"47102","NSC674715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674715",NA,"CC1=CC2=C(C=C1C)OCCC(=NNC3=CC=C(C=C3)F)C2=O","DEZGTXPIOVWETH-LTGZKZEYSA-N",5466100,NA,"PDBC47102","674715","Present",NA,NA
+"47103","NSC674967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674967",NA,"C1CC2=C(C1)C=C(C=C2)CC3(CC4=CC=CC=C4C3=O)C(=O)O.[K+]","IOEZUTNDRQAJHS-UHFFFAOYSA-N",54608212,NA,"PDBC47103","674967","Present",NA,NA
+"47104","NSC674991",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674991",NA,"C[Si](C)(C1S(=O)(=O)OCCOS1(=O)=O)OCCS(=O)(=O)O.[Na+]","PJXMEFXMDWJPDY-UHFFFAOYSA-N",54599675,NA,"PDBC47104","674991","Present",NA,NA
+"47105","NSC674992",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC674992",NA,"C[Si](C)(C1(S(=O)(=O)OCCOS1(=O)=O)CC2=CC=CC3=CC=CC=C32)OCCS(=O)(=O)O.[Na+]","VHXQSZSMXBPPBL-UHFFFAOYSA-N",54608905,NA,"PDBC47105","674992","Present",NA,NA
+"47106","NSC675220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675220",NA,"CC1=NNC(=O)N1N=CC2=CC=CC=C2","JIBFXUZSLIJYJY-XFFZJAGNSA-N",5910554,NA,"PDBC47106","675220","Present",NA,NA
+"47107","NSC675222",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675222",NA,"C1=CC=C(C=C1)C=NN2C(=NNC2=O)C3=CC=CC=C3","PUZXUSOTUOCXFG-WJDWOHSUSA-N",5935553,NA,"PDBC47107","675222","Present",NA,NA
+"47108","NSC675224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675224",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CC3=CC=CC=C3","NRDSBBVQVGMRRD-ATVHPVEESA-N",5913384,NA,"PDBC47108","675224","Present",NA,NA
+"47109","NSC675263",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675263",NA,"C1C2CC3=C(C2C4C1CC5=C4C(=NN=C5C6=CC=CC=N6)C7=CC=CC=N7)C(=NN=C3C8=CC=CC=N8)C9=CC=CC=N9","WCPYKJXLZBLBMW-OERYEWLJSA-N",384813,NA,"PDBC47109","675263","Present",NA,NA
+"47110","NSC675264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675264",NA,"CC(=O)OC(C1C(OC(O1)(C)C)C2COC(O2)(C)C)C3=NC=CN3CC4=CC=CC=C4","UUJOFFOYPMMDCI-YSTOQKLRSA-N",384814,NA,"PDBC47110","675264","Present",NA,NA
+"47111","NSC675360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675360",NA,"CC1=CN(C(=O)NC1=O)C2CC(C2O)CO","CECZZMQFNWBMPG-PRJMDXOYSA-N",384842,NA,"PDBC47111","675360","Present",NA,NA
+"47112","NSC675361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675361",NA,"CC1=CN(C(=O)NC1=O)C2C(CC2O)CO","LPPJTBCAQADZDM-PRJMDXOYSA-N",384843,NA,"PDBC47112","675361","Present",NA,NA
+"47113","NSC675470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675470",NA,"COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=CC(=C3)OC)OC)OC","IOSKCEFQVANUTJ-QFBILLFUSA-N",384874,NA,"PDBC47113","675470","Present",NA,NA
+"47114","NSC675475",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675475",NA,"COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC=C(C=C3)Br)OC","JXGLEVMVAOLYNY-DOTOQJQBSA-N",384879,NA,"PDBC47114","675475","Present",NA,NA
+"47115","NSC675476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675476",NA,"COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=CC=C3)Br)OC","UOYVNYXGIOTHLU-DOTOQJQBSA-N",384880,NA,"PDBC47115","675476","Present",NA,NA
+"47116","NSC675564",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675564",NA,"CC1CC(C23COC(=O)C1(C2CCC(C34CO4)O)CC(C5=COC=C5)O)OC(=O)C","XUTVYBGHJNBZLU-ZTZCTCQOSA-N",384889,NA,"PDBC47116","675564","Present",NA,NA
+"47117","NSC675573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675573",NA,"C1CC2C(=O)NC3=NC=CN=C3C(=O)N2C1","YIFRONCHFKOSBC-LURJTMIESA-N",384891,NA,"PDBC47117","675573","Present",NA,NA
+"47118","NSC675583",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675583",NA,"CN(C)CC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)Cl)OC(=O)C3=CC=CC=C3.Cl","ZOKMSTQVSHJLCS-UHFFFAOYSA-N",384896,NA,"PDBC47118","675583","Present",NA,NA
+"47119","NSC675812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675812",NA,"CN(C)CCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O.Cl","XRINZHYXVBMARE-UHFFFAOYSA-N",54680434,NA,"PDBC47119","675812","Present",NA,NA
+"47120","NSC675813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675813",NA,"CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NCCCN(C)C)O.Cl","YLYBXNINKSVFLV-UHFFFAOYSA-N",54680436,NA,"PDBC47120","675813","Present",NA,NA
+"47121","NSC675814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675814",NA,"CCC[N+](C)(C)CCCNC(=O)C1=C(C2=CC=CC=C2NC1=O)O.[Br-]","QYDPQVDVKLCLAC-UHFFFAOYSA-N",54680438,NA,"PDBC47121","675814","Present",NA,NA
+"47122","NSC675855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675855",NA,"CC1C=CC(CC(CC(CC(CC(CC(CC(CC(CC=CC=CC=CC=CC=CC(=O)OC1C(C)C)O)O)O)O)O)O)O)O","ZYHODWCHANZFES-SFXPQRLSSA-N",5468748,NA,"PDBC47122","675855","Present",NA,NA
+"47123","NSC675862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675862",NA,"CC(=O)OCC1C(C(C(C2=NN=NN2O1)OC(=O)C)OC(=O)C)OC(=O)C","PFRTWZMTMWCXRK-FVCCEPFGSA-N",385009,NA,"PDBC47123","675862","Present",NA,NA
+"47124","NSC675870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675870",NA,"CCOC(=O)C1=C(SN=C1N2CCCC2)NC3=CC=CC=C3.Br","GHENMIFZSSFCOB-UHFFFAOYSA-N",385016,NA,"PDBC47124","675870","Present",NA,NA
+"47125","NSC675985",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675985",NA,"C1CCN(C1)CCNC(=O)C2=CN3C(=N2)C=CC4=C3C(=O)C5=CC=CC=C5S4","ALVQMLUYWKLULI-UHFFFAOYSA-N",385056,NA,"PDBC47125","675985","Present",NA,NA
+"47126","NSC675988",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675988",NA,"CN(C)CCCNC(=O)C1=CN2C(=N1)C=CC3=C2C(=O)C4=CC=CC=C4S3","VPBDEASCVVRRKT-UHFFFAOYSA-N",385059,NA,"PDBC47126","675988","Present",NA,NA
+"47127","NSC676001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676001",NA,"C1=NC2=C(C(=O)N1)N=CN2C3C(C(C(S3)CO)O)O","HJYJLNGDBFAKPJ-UHFFFAOYSA-N",135420436,NA,"PDBC47127","676001","Present",NA,NA
+"47128","NSC676011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676011",NA,"CCC1(CN(C2CC1C(=O)C3=C2C4=CC=CC=C4N3)CCOC)O","GKHVLFFRJVIFRR-DEYXKNCISA-N",385082,NA,"PDBC47128","676011","Present",NA,NA
+"47129","NSC676027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676027",NA,"COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC(=O)C5=CC(=C(C(=C5)OC)OC)OC","YSDMESBIEUSJBT-QVYQDBIISA-N",385092,NA,"PDBC47129","676027","Present",NA,NA
+"47130","NSC676140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676140",NA,"CN(C1=NCCN1)N=C(C2=CC=CC=C2)C(=O)O.I","PKMVCPWXJOJBBK-AZJSCORLSA-N",9571943,NA,"PDBC47130","676140","Present",NA,NA
+"47131","NSC676141",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676141",NA,"CN(C1=NCCCN1)N=C(C2=CC=CC=C2)C(=O)O.I","ZKWFSEASZVCIDE-MWVRIADDSA-N",9571944,NA,"PDBC47131","676141","Present",NA,NA
+"47132","NSC676142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676142",NA,"CN(C1=NCCCCN1)N=C(C2=CC=CC=C2)C(=O)O.I","DEHQCWWHZWHQIT-HBPAQXCTSA-N",9571945,NA,"PDBC47132","676142","Present",NA,NA
+"47133","NSC676143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676143",NA,"CN(C1=NCCN1)N=CC2=CC3=CC=CC=C3C=C2.I","PGZSJIPFCIYABV-VVTVMFAVSA-N",6519025,NA,"PDBC47133","676143","Present",NA,NA
+"47134","NSC676144",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676144",NA,"CN(C1=NCCCN1)N=CC2=CC3=CC=CC=C3C=C2.I","RVEPBSYHJFNHGP-JHMJKTBASA-N",6519026,NA,"PDBC47134","676144","Present",NA,NA
+"47135","NSC676145",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676145",NA,"CN(C1=NCCCCN1)N=CC2=CC3=CC=CC=C3C=C2.I","VTJWUIBPUXWVIW-MASIZSFYSA-N",6519027,NA,"PDBC47135","676145","Present",NA,NA
+"47136","NSC676146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676146",NA,"C1CN=C(N1)NN=CC2=CC3=CC=CC=C3C=C2.I","OEGRMAHYRVIFMH-LZMXEPDESA-N",9556208,NA,"PDBC47136","676146","Present",NA,NA
+"47137","NSC676147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676147",NA,"C1CNC(=NC1)NN=CC2=CC3=CC=CC=C3C=C2.I","COTFKWGNLPJOEM-NWBUNABESA-N",9556210,NA,"PDBC47137","676147","Present",NA,NA
+"47138","NSC676148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676148",NA,"C1CCN=C(NC1)NN=CC2=CC3=CC=CC=C3C=C2.I","KPUKCGZHBRAMBY-NNTHFVATSA-N",9556212,NA,"PDBC47138","676148","Present",NA,NA
+"47139","NSC676149",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676149",NA,"COC1=C(C=CC(=C1)C=NNC2=NCCN2)O.I","MTIOFBJWRAAWKU-FJUODKGNSA-N",135509198,NA,"PDBC47139","676149","Present",NA,NA
+"47140","NSC676150",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676150",NA,"COC1=C(C=CC(=C1)C=NNC2=NCCCN2)O.I","IRRSAZDNPAOYHJ-TWNLEINFSA-N",135509199,NA,"PDBC47140","676150","Present",NA,NA
+"47141","NSC676151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676151",NA,"COC1=C(C=CC(=C1)C=NNC2=NCCCCN2)O.I","WTNNBASNNGKLOZ-QOVZSLTQSA-N",135509200,NA,"PDBC47141","676151","Present",NA,NA
+"47142","NSC676152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676152",NA,"C1CN=C(N1)NN=CCC2=CC3=C(C=C2)OCO3.I","YFABCIKSKWOUGE-HDNKIUSMSA-N",9556214,NA,"PDBC47142","676152","Present",NA,NA
+"47143","NSC676153",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676153",NA,"C1CNC(=NC1)NN=CCC2=CC3=C(C=C2)OCO3.I","NYBIULBJOFUPNX-OYXUYBEVSA-N",9556216,NA,"PDBC47143","676153","Present",NA,NA
+"47144","NSC676154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676154",NA,"C1CCN=C(NC1)NN=CCC2=CC3=C(C=C2)OCO3.I","BCOGTTPQYLVRDK-XIDBHWPPSA-N",9556218,NA,"PDBC47144","676154","Present",NA,NA
+"47145","NSC676155",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676155",NA,"CN(C1=NCCN1)NC(=O)CCCl.I","NHZPSRHVDSTOBG-UHFFFAOYSA-N",385131,NA,"PDBC47145","676155","Present",NA,NA
+"47146","NSC676156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676156",NA,"CN(C1=NCCCCN1)NC(=O)CCCl.I","ZINXYRLLTDENOR-UHFFFAOYSA-N",385133,NA,"PDBC47146","676156","Present",NA,NA
+"47147","NSC676157",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676157",NA,"CN(C1=NCCN1)NC(=O)C2=CC=CO2.I","UQCWAUZTIJODSQ-UHFFFAOYSA-N",385135,NA,"PDBC47147","676157","Present",NA,NA
+"47148","NSC676158",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676158",NA,"CN(C1=NCCCCN1)NC(=O)C2=CC=CO2.I","LHEYNRNPHHXSBY-UHFFFAOYSA-N",385137,NA,"PDBC47148","676158","Present",NA,NA
+"47149","NSC676159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676159",NA,"CCOC(=O)C(=O)C(=O)NN(C)C1=NCCN1.I","UQYWGEKCZLZLIS-UHFFFAOYSA-N",385139,NA,"PDBC47149","676159","Present",NA,NA
+"47150","NSC676160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676160",NA,"C1CN=C(N1)NNC(=O)CCCl.I","OAFOFDRQABEOSP-UHFFFAOYSA-N",385141,NA,"PDBC47150","676160","Present",NA,NA
+"47151","NSC676161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676161",NA,"C1CNC(=NC1)NNC(=O)CCCl.I","PCUMYMZHSZBEEV-UHFFFAOYSA-N",385143,NA,"PDBC47151","676161","Present",NA,NA
+"47152","NSC676162",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676162",NA,"C1CCN=C(NC1)NNC(=O)CCCl.I","APWYYYVDRJHSGH-UHFFFAOYSA-N",385145,NA,"PDBC47152","676162","Present",NA,NA
+"47153","NSC676163",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676163",NA,"C1CN=C(N1)NNC(=O)C2=CC=CO2.I","VXSBRIUASUPLCS-UHFFFAOYSA-N",385147,NA,"PDBC47153","676163","Present",NA,NA
+"47154","NSC676164",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676164",NA,"C1CNC(=NC1)NNC(=O)C2=CC=CO2.I","DVUACCROQCCUEB-UHFFFAOYSA-N",385149,NA,"PDBC47154","676164","Present",NA,NA
+"47155","NSC676165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676165",NA,"CCOC(=O)CC(=O)C(=O)NNC1=NCCN1.I","ZKJXBDALQDDTNV-UHFFFAOYSA-N",385151,NA,"PDBC47155","676165","Present",NA,NA
+"47156","NSC676166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676166",NA,"CCOC(=O)CC(=O)C(=O)NNC1=NCCCN1.I","GBPPITVAYIIQTN-UHFFFAOYSA-N",385153,NA,"PDBC47156","676166","Present",NA,NA
+"47157","NSC676167",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676167",NA,"C1CN=C(N1)N(CCO)N=CC2=CC=CC=C2C(=O)O.I","SEUDNKGQPBRGHR-LFMIJCLESA-N",6519040,NA,"PDBC47157","676167","Present",NA,NA
+"47158","NSC676168",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676168",NA,"C1CN=C(N1)N(CCO)N=CC2=CC=C(C=C2)C(=O)O.I","CAJBDIYWNYZYFO-LFMIJCLESA-N",6519041,NA,"PDBC47158","676168","Present",NA,NA
+"47159","NSC676169",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676169",NA,"C1CN=C(N1)N(CCO)N=CC2=CC3=CC=CC=C3C=C2.I","PZICQXQKGOKQBO-JHMJKTBASA-N",6519042,NA,"PDBC47159","676169","Present",NA,NA
+"47160","NSC676170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676170",NA,"CC1=NN=C2N(CCN2C1=O)C.I","NWQQBFSSLNVBBQ-UHFFFAOYSA-N",385161,NA,"PDBC47160","676170","Present",NA,NA
+"47161","NSC676171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676171",NA,"CC1=NN=C2N(CCCN2C1=O)C.I","YNSXDPLHCPDBAT-UHFFFAOYSA-N",385163,NA,"PDBC47161","676171","Present",NA,NA
+"47162","NSC676174",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676174",NA,"CC(=NN(C)C1=NCCCN1)C=NN(C)C2=NCCCN2.I","UZKSZYRJFZJCHI-NCDXRVSQSA-N",54604776,NA,"PDBC47162","676174","Present",NA,NA
+"47163","NSC676175",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676175",NA,"CC(=NN(C)C1=NCCCCN1)C=NN(C)C2=NCCCCN2.I","WFIBVPZBDFSGHV-VXWLLWAYSA-N",54608145,NA,"PDBC47163","676175","Present",NA,NA
+"47164","NSC676177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676177",NA,"CN(C1=NCCCCN1)N=CC2=CC=C(C=C2)C(=O)O.I","FJXYTDLHXMLFPD-LZMXEPDESA-N",9571946,NA,"PDBC47164","676177","Present",NA,NA
+"47165","NSC676178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676178",NA,"C1CCN=C(NC1)NNC(=S)NC2=CC=CC=C2.I","CEDAVORHTGFCAG-UHFFFAOYSA-N",5468779,NA,"PDBC47165","676178","Present",NA,NA
+"47166","NSC676311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676311",NA,"C1C(CC1(CNC2=NC(=NC=C2)N)CO)CCC3=CC=CC=C3.Cl","HTTSMQUPMLQLOI-UHFFFAOYSA-N",385196,NA,"PDBC47166","676311","Present",NA,NA
+"47167","NSC676369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676369",NA,"C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)C=O)CO)CCC3=CC=CC=C3","KHYIYHSQSYBJBJ-UHFFFAOYSA-N",385258,NA,"PDBC47167","676369","Present",NA,NA
+"47168","NSC676372",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676372",NA,"C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=NO)CO","UXBBHBPPLDBNCB-TVPGTPATSA-N",6070198,NA,"PDBC47168","676372","Present",NA,NA
+"47169","NSC676373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676373",NA,"C1C(=O)CC1(CNC2=C(C(=NC(=N2)N)Cl)C=NO)CO","HOMHDAPRZDAWKF-CQPUUCJISA-N",6079137,NA,"PDBC47169","676373","Present",NA,NA
+"47170","NSC676374",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676374",NA,"COC1(CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)C=NO)CO)OC","TTZRPJZHSKGHHC-YPEHOIGNSA-N",5937646,NA,"PDBC47170","676374","Present",NA,NA
+"47171","NSC676403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676403",NA,"CCOP(=O)(CC=CCN1C=NC(=C1N)C(=O)N)OCC","ULKDOTKXFMLRPE-WAYWQWQTSA-N",54608574,NA,"PDBC47171","676403","Present",NA,NA
+"47172","NSC676413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676413",NA,"C1C(CC1(CNC2=C(C=CC=N2)[N+](=O)[O-])CO)CC3=CC=CC=C3","LIUGIFABLZLLRW-UHFFFAOYSA-N",385301,NA,"PDBC47172","676413","Present",NA,NA
+"47173","NSC676446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676446",NA,"CCOC(=O)C1=C(C2=CC=CC=C2N1)C(=O)CC(C(=O)OC)NC(=O)C(F)(F)F","KBKCITLFWGMLKS-NSHDSACASA-N",385328,NA,"PDBC47173","676446","Present",NA,NA
+"47174","NSC676447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676447",NA,"CCOC(=O)C1=C2CCC(C(=O)C3=C2C(=CC=C3)N1)NC(=O)C(F)(F)F","JMGZHRPBQWBPDI-NSHDSACASA-N",385329,NA,"PDBC47174","676447","Present",NA,NA
+"47175","NSC676495",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676495",NA,NA,NA,NA,NA,"PDBC47175","676495","Present",NA,NA
+"47176","NSC676523",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676523",NA,"CCOC(=O)C(C(C(=O)NCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)O)O","KMIFGTJBQUYBBJ-QZTJIDSGSA-N",385373,NA,"PDBC47176","676523","Present",NA,NA
+"47177","NSC676537",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676537",NA,"COC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O","UABVIHGPHXDZKO-UHFFFAOYSA-N",385375,NA,"PDBC47177","676537","Present",NA,NA
+"47178","NSC676578",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676578",NA,"COC(=O)C1CC2(C(N1C(=O)OC)N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)Br","ZTPCZSYBHQHGBJ-QRFRQXIXSA-N",385403,NA,"PDBC47178","676578","Present",NA,NA
+"47179","NSC676579",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676579",NA,"COC(=O)C1CC2(C(N1C(=O)OC)N(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)CC=C","CEXFEIWQCNJDFJ-IEIRFRATSA-N",385404,NA,"PDBC47179","676579","Present",NA,NA
+"47180","NSC676581",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676581",NA,"CC(=CCC12CC(N(C1N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C(=O)OC)C(=O)OC)C","LCWWUVQBBNRMRX-UMXIMWEHSA-N",385406,NA,"PDBC47180","676581","Present",NA,NA
+"47181","NSC676583",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676583",NA,"CC(=CCC12CCNC1N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C","PPCCDDMYZCTWHI-LEWJYISDSA-N",385408,NA,"PDBC47181","676583","Present",NA,NA
+"47182","NSC676584",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676584",NA,"CC(=CCC12CCN(C1N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4)C)C","HODDMWCQFNLOHF-FCHUYYIVSA-N",385409,NA,"PDBC47182","676584","Present",NA,NA
+"47183","NSC676586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676586",NA,NA,NA,NA,NA,"PDBC47183","676586","Present",NA,NA
+"47184","NSC676587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676587",NA,NA,NA,NA,NA,"PDBC47184","676587","Present",NA,NA
+"47185","NSC676588",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676588",NA,NA,NA,NA,NA,"PDBC47185","676588","Present",NA,NA
+"47186","NSC676589",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676589",NA,NA,NA,NA,NA,"PDBC47186","676589","Present",NA,NA
+"47187","NSC676681",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676681",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCN(C)C)C)NC(=O)CCC=C3C4CCC3N=N4","YJGRWHYWBQBBSY-BGYRXZFFSA-N",385445,NA,"PDBC47187","676681","Present",NA,NA
+"47188","NSC676689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676689",NA,"C1=CSC2=C1N(C(=O)NC2=O)C3C(C(C(O3)CO)O)O","BXHVEARKNSUHAO-UHFFFAOYSA-N",385451,NA,"PDBC47188","676689","Present",NA,NA
+"47189","NSC676706",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676706",NA,"COC(=O)C1CN(C(=O)N1)C(=O)C2=CC=CC=C2","CFMJVOSEWRJGEP-VIFPVBQESA-N",385469,NA,"PDBC47189","676706","Present",NA,NA
+"47190","NSC676708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676708",NA,"COC(=O)C1CN(C(=O)N1)C(=O)CCC2=CC=CC=C2","ZJVZAJZTMLOELN-NSHDSACASA-N",385473,NA,"PDBC47190","676708","Present",NA,NA
+"47191","NSC676710",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676710",NA,"COC(=O)C1CN(C(=O)N1C(=O)OCC2=CC=CC=C2)C(=O)C3=CC=CC=C3","CQFXQUCDNZKJIX-INIZCTEOSA-N",385476,NA,"PDBC47191","676710","Present",NA,NA
+"47192","NSC676722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676722",NA,"CC(C)CCC1=NNC(=O)N1N=CC2=CC=CC=C2","WBFPWFFAZYWBPJ-GDNBJRDFSA-N",5919577,NA,"PDBC47192","676722","Present",NA,NA
+"47193","NSC676751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676751",NA,"CC(C)OP(=O)(CN(C)C(=NC(F)(F)F)F)OC(C)C","RLEPUBDMORFTMY-DHDCSXOGSA-N",5772798,NA,"PDBC47193","676751","Present",NA,NA
+"47194","NSC676759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676759",NA,"CCC1(N(C(=NP1(=O)O)NC#N)C)C.N","ONFULSSCMSAXAF-UHFFFAOYSA-N",385510,NA,"PDBC47194","676759","Present",NA,NA
+"47195","NSC676760",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676760",NA,"CCC1=NC(N=C(O1)N=C(N)N(C)C(C(C)C)P(=O)(OC(C)C)OC(C)C)(C(F)(F)F)C(F)(F)F","BRRBBMGKRWVXNP-UHFFFAOYSA-N",5466124,NA,"PDBC47195","676760","Present",NA,NA
+"47196","NSC676761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676761",NA,"CC(C)C(N(C)C(=NC1=NC(N=C(O1)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)N)P(=O)(OC(C)C)OC(C)C","IZJWLHBRJGIBGU-UHFFFAOYSA-N",5466125,NA,"PDBC47196","676761","Present",NA,NA
+"47197","NSC676762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676762",NA,"CCOC1=NC(N=C(O1)N=C(N)N(C)C(C(C)C)P(=O)(OC(C)C)OC(C)C)(C(F)(F)F)C(F)(F)F","BMGKUMOJIJODJU-UHFFFAOYSA-N",5466126,NA,"PDBC47197","676762","Present",NA,NA
+"47198","NSC676772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676772",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O","SNUYYOZIHXZPOM-WYDBGDADSA-N",385521,NA,"PDBC47198","676772","Present",NA,NA
+"47199","NSC676775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676775",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)OC1C(C(C(CO1)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O","QWABEDSRNSIDQD-DZZWWZRLSA-N",385523,NA,"PDBC47199","676775","Present",NA,NA
+"47200","NSC676790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676790",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)O)OC9C(C(C(CO9)OC1C(C(C(CO1)O)O)O)O)O","DXDGYHVNDYHARV-MXCJHSMASA-N",385534,NA,"PDBC47200","676790","Present",NA,NA
+"47201","NSC676794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676794",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4O)C)C)(C)C)OC8C(C(C(C(O8)C(=O)OC)O)O)O)C)(C)C)O)O)O)OC9C(C(CO9)(CO)O)O)OC1C(C(C(CO1)O)O)O","OOAPEJATVYBYAK-HNVHDFDLSA-N",385536,NA,"PDBC47201","676794","Present",NA,NA
+"47202","NSC676813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676813",NA,"CC1CC(CC23C1CC=C2C4(C(CC3)C5(CCC(C(C5CC4OC6C(C(C(C(O6)COC(=O)C)O)O)O)(C)C)OC(=O)C)C)C)O","LPACKYGZTBCRNX-BIVVTSMRSA-N",385545,NA,"PDBC47202","676813","Present",NA,NA
+"47203","NSC676814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676814",NA,"CC1C2CC=C3C2(CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C)CC(C1=C)O","URGDJCBVOFJTIO-GANRYBLHSA-N",385546,NA,"PDBC47203","676814","Present",NA,NA
+"47204","NSC676831",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676831",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C6C5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)CO)O)C)C)C2C1C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O","GEPCFINLGINXJO-VAZFKZGESA-N",5468819,NA,"PDBC47204","676831","Present",NA,NA
+"47205","NSC676832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676832",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC6C(C5(CO)CO)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)C)C)C2C1C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O","BKHAOLZXLIFTQI-HLAOACMRSA-N",5468820,NA,"PDBC47205","676832","Present",NA,NA
+"47206","NSC676835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676835",NA,"CC(C)C(=O)OCC1=CCC2C(CC(=CC3C1O3)C=O)OC(=O)C2=C","DKEPXXSPYUPBQB-ASAKZQPNSA-N",5468821,NA,"PDBC47206","676835","Present",NA,NA
+"47207","NSC676855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676855",NA,"COC(=O)C1CC2(C(N1C(=O)OC)N(C3=CC=CC=C32)C(=O)C(F)(F)F)C4C=CN(C=C4)C(=O)C(F)(F)F","FDNFNTGYACOUTP-HZUJVAHNSA-N",385566,NA,"PDBC47207","676855","Present",NA,NA
+"47208","NSC676856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676856",NA,"C1=CC=C(C=C1)C=C(C=NNC(=O)CSC2=NC(=CC3=NC=NN32)N)Br","CLOXJEWROPOQMG-KETOFPQSSA-N",6911815,NA,"PDBC47208","676856","Present",NA,NA
+"47209","NSC676857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676857",NA,"CC(=O)OCC1C(C(C(C(O1)OC2C=CC(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C","GFIMWEJQHUYXDX-WABFHLJMSA-N",385568,NA,"PDBC47209","676857","Present",NA,NA
+"47210","NSC676858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676858",NA,"CC(=O)OCC1C(C(C(C(O1)OC2C=CC(N3N2C(=O)C4=CC=CC=C4C3=O)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C","ZQNZHOZMDMJYRN-PJQUKWJVSA-N",385569,NA,"PDBC47210","676858","Present",NA,NA
+"47211","NSC676860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676860",NA,"C1CCN2CCCC(C2C1)CC(=O)N3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl","XEJPICPNWDTWAV-FUHWJXTLSA-N",385570,NA,"PDBC47211","676860","Present",NA,NA
+"47212","NSC676866",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676866",NA,"CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC=CC4=CC=CC=C4)CC5=CC(=CC(=C5OCC=CC6=CC=CC=C6)CC7=C(C(=CC(=C7)C(C#N)(OCC=CC8=CC=CC=C8)OCC=CC9=CC=CC=C9)C2)OCC=CC1=CC=CC=C1)C(C)(C)C)C(C#N)(OCC=CC1=CC=CC=C1)OCC=CC1=CC=CC=C1)OCC=CC1=CC=CC=C1","RSXFHPFCLIEVMQ-VIWXVDKGSA-N",54604780,NA,"PDBC47212","676866","Present",NA,NA
+"47213","NSC676867",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676867",NA,"CC1(CC2(CC(=C1OC)C(C#CC=CC#C2)O)OC)C","ZDFMSNVIJGOOMH-SMKJSZSYSA-N",5468823,NA,"PDBC47213","676867","Present",NA,NA
+"47214","NSC676868",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676868",NA,"C1=CC=C(C=C1)CN2C(=O)C=CN(C2=O)C3C(C(C(O3)CO)O)F","BQPMAFKIDWZUQO-UHFFFAOYSA-N",385575,NA,"PDBC47214","676868","Present",NA,NA
+"47215","NSC676869",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676869",NA,"C1=CC(=CC=C1C(=O)CN2C(=O)C=CN(C2=O)C3C(C(C(O3)CO)O)F)F","ASVJWYTWDFDNEV-UHFFFAOYSA-N",385576,NA,"PDBC47215","676869","Present",NA,NA
+"47216","NSC676880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676880",NA,"CC(=O)N1CC[N+](CC1)(C)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42.[I-]","JTDGBUUONMUJTC-UHFFFAOYSA-M",385582,NA,"PDBC47216","676880","Present",NA,NA
+"47217","NSC676890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676890",NA,"COC1=C(C(=C2C(=C1)C3C(C2=O)N3C(=O)NCCCl)OC)OC","BJKXYZSWAISYIK-QMZNTLOPSA-N",385593,NA,"PDBC47217","676890","Present",NA,NA
+"47218","NSC676891",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676891",NA,"COC1=C(C(=C2C(=C1)C(C(C2=O)Br)NC(=O)NCCCl)OC)OC","WIEHQZCTAYGORB-MNOVXSKESA-N",385594,NA,"PDBC47218","676891","Present",NA,NA
+"47219","NSC676892",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676892",NA,"COC1=C(C(=C2C(=C1)C3C(C2=O)N3C(=O)N)OC)OC","PWXLEGRSQJYLBX-KZGJKODISA-N",385595,NA,"PDBC47219","676892","Present",NA,NA
+"47220","NSC676893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676893",NA,"COC1=C(C(=C2C(=C1)C(C(C2=O)O)NC(=O)N)OC)OC","YQVXXCUXZYHSTI-WPRPVWTQSA-N",385596,NA,"PDBC47220","676893","Present",NA,NA
+"47221","NSC676894",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676894",NA,"COC1=C(C(=C2C(=C1)C(C(C2=O)O)NC(=O)N)OC)OC","YQVXXCUXZYHSTI-WCBMZHEXSA-N",385597,NA,"PDBC47221","676894","Present",NA,NA
+"47222","NSC676909",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676909",NA,"CCN(CC)CC.C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)O","ZFLBPRIWFOOYAT-UHFFFAOYSA-N",385603,NA,"PDBC47222","676909","Present",NA,NA
+"47223","NSC676910",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676910",NA,"CCN(CC)CC.C(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O","VHKGZTFLSZRKOS-UHFFFAOYSA-N",385604,NA,"PDBC47223","676910","Present",NA,NA
+"47224","NSC676912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676912",NA,"CCN(CC)CC.C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)O","LGKGYIWMBYIDRT-UHFFFAOYSA-N",385607,NA,"PDBC47224","676912","Present",NA,NA
+"47225","NSC676961",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676961",NA,"CN1CCN(CC1)CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O","QQKXCNKYYAANAL-BTJKTKAUSA-N",54608154,NA,"PDBC47225","676961","Present",NA,NA
+"47226","NSC677011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677011",NA,"C1CC2=CC3=C(C=C2C1)C(=NO)CC3","WWSUHMFQLNZTPL-OUKQBFOZSA-N",5466131,NA,"PDBC47226","677011","Present",NA,NA
+"47227","NSC677057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677057",NA,"COC(=O)C1=CC=CC=C1C=C2CC3=C(C2=O)C4=C(CCC4)C=C3","OSAABWVGUIABMU-LFIBNONCSA-N",20835360,NA,"PDBC47227","677057","Present",NA,NA
+"47228","NSC677203",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677203",NA,"C1=CC=C(C=C1)C=C2C(=N)N3C(=NC2=O)SC=N3","KXGPXJAPFWOCRR-NBBFJZPZSA-N",888856,NA,"PDBC47228","677203","Present",NA,NA
+"47229","NSC677204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677204",NA,"C1=CC(=CC=C1C=C2C(=N)N3C(=NC2=O)SC=N3)F","VTCRDKQPEIGYJU-KQIWNXFLSA-N",5468827,NA,"PDBC47229","677204","Present",NA,NA
+"47230","NSC677206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677206",NA,"CC1=NN2C(=N)C(=CC3=CC=CC=C3)C(=O)N=C2S1","PFWSKOHBUDBTGS-OFXSHPRPSA-N",5455137,NA,"PDBC47230","677206","Present",NA,NA
+"47231","NSC677207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677207",NA,"CC1=NN2C(=N)C(=CC3=CC=C(C=C3)F)C(=O)N=C2S1","VLNUSCYXNGQMNY-JZSRCMMISA-N",5468828,NA,"PDBC47231","677207","Present",NA,NA
+"47232","NSC677231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677231",NA,"C1=CC=C(C=C1)COC2C3C4C5C6C(C3C5OCC7=CC=CC=C7)C2C4C6=O","QFZSTWQCQZIKSY-SISHKOCUSA-N",385834,NA,"PDBC47232","677231","Present",NA,NA
+"47233","NSC677232",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677232",NA,"CCOC12CCC3C1C4C(C3)CCC4(O2)OCC","SORQIKMJIKCAHH-ADPPZMDZSA-N",385835,NA,"PDBC47233","677232","Present",NA,NA
+"47234","NSC677235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677235",NA,"C1C2C3C4C1C5C2C6(C3C4C5(O6)O)C[N+](=O)[O-]","LOEIDFUDZVQDTE-USSSNPAQSA-N",385838,NA,"PDBC47234","677235","Present",NA,NA
+"47235","NSC677237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677237",NA,"C1=CC2C3C(C1C4C2C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C(=O)C=CC3=O","YZEQPNUGMMMGSM-VVSRXUSISA-N",385840,NA,"PDBC47235","677237","Present",NA,NA
+"47236","NSC677244",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677244",NA,"CC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C","QKTLYJCNTAJCQI-JWQCQUIFSA-N",385845,NA,"PDBC47236","677244","Present",NA,NA
+"47237","NSC677245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677245",NA,"COC1=CC=C(C=C1)C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC","WWLCJZULYFCYTI-JWQCQUIFSA-N",385846,NA,"PDBC47237","677245","Present",NA,NA
+"47238","NSC677246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677246",NA,"COC1=CC(=C(C=C1)C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=C(C=C(C=C5)OC)OC)OC","OSQUDRJWOQKPJK-JWQCQUIFSA-N",385847,NA,"PDBC47238","677246","Present",NA,NA
+"47239","NSC677247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677247",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=O)CC(C23C(=O)C4=CC=CC=C4C3=O)C5=CC(=C(C(=C5)OC)OC)OC","NLOULXNEGAPOCR-ZRZAMGCNSA-N",385848,NA,"PDBC47239","677247","Present",NA,NA
+"47240","NSC677248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677248",NA,"C1C(CC(C2(C1C3=CC=CC=C3)C(C4=CC=CC=C4C2O)O)C5=CC=CC=C5)O","PBMDMYZUOMKWHI-UWAWKPALSA-N",385849,NA,"PDBC47240","677248","Present",NA,NA
+"47241","NSC677249",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677249",NA,"C1C2=CC=CC=C2C(C13C(C4C(C3C5=CC=CC=C5)C6=CC=CC=C6C4O)C7=CC=CC=C7)O","JDFQXJSUIRPIFZ-SWABRBFSSA-N",385850,NA,"PDBC47241","677249","Present",NA,NA
+"47242","NSC677393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677393",NA,"COC(=C(C#N)N=CC1=CC=CC=C1)N","IWTPAHMQALWGHK-TTZMRQBOSA-N",5468840,NA,"PDBC47242","677393","Present",NA,NA
+"47243","NSC677394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677394",NA,"CN(C)CCCCN1C2=C(C=C(C=C2)N=[N+]=[N-])SC3=CC=CC=C31.C(=O)(C(=O)O)O","CJGAUXSYAZOAOE-UHFFFAOYSA-N",385931,NA,"PDBC47243","677394","Present",NA,NA
+"47244","NSC677396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677396",NA,"CN(C)CCCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C4=CC=CC=C4.C(=O)(C(=O)O)O","DDCMRCOTBKDUFV-UHFFFAOYSA-N",22210530,NA,"PDBC47244","677396","Present",NA,NA
+"47245","NSC677397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677397",NA,"CN1CCN(CC1)CCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)C5=CC=CC=C5.C(=O)(C(=O)O)O","NSUUXHYUZFTQOA-UHFFFAOYSA-N",22210531,NA,"PDBC47245","677397","Present",NA,NA
+"47246","NSC677401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677401",NA,"C[N+]1(CCN(CC1)C(=O)CCNC(=O)CC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)CCCCN4C5=C(C=C(C=C5)N=[N+]=[N-])SC6=CC=CC=C64.[I-]","HUAPQSIBCOGPSA-UHFFFAOYSA-N",385938,NA,"PDBC47246","677401","Present",NA,NA
+"47247","NSC677582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677582",NA,"COC1=C(C=CC(=C1)C2C(C(=CC3=CC(=C(C=C23)O)OC)C(=O)N)C(=O)N)O","VOCPARDFMHCSPY-QZTJIDSGSA-N",6712367,NA,"PDBC47247","677582","Present",NA,NA
+"47248","NSC677583",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677583",NA,"COC1=C(C=CC(=C1)C2C(C(=CC3=CC(=C(C=C23)O)OC)C(=O)OC)C(=O)OC)O","ISHDPVONGBEOKE-WOJBJXKFSA-N",6712368,NA,"PDBC47248","677583","Present",NA,NA
+"47249","NSC677598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677598",NA,"CC(=O)NC1C(C(C(OC1OCC2=CC=CC=C2)CO)O)OCC(=O)N3CCCC3C(=O)NC(CCC(=O)NCCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-])C(=O)N","XJIFATPTLBPJCK-UHFFFAOYSA-N",386035,NA,"PDBC47249","677598","Present",NA,NA
+"47250","NSC677599",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677599",NA,"CC(C(=O)NC(CCC(=O)NCCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","FCLWHDIQAVOPMW-UHFFFAOYSA-N",386036,NA,"PDBC47250","677599","Present",NA,NA
+"47251","NSC677606",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677606",NA,"C1=NC(=C2C(=N1)N(C(=N2)CC(=O)N)C3C(C(C(O3)CO)O)O)N","QAFWZXHDJZQDCC-UHFFFAOYSA-N",386040,NA,"PDBC47251","677606","Present",NA,NA
+"47252","NSC677607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677607",NA,"CCNC(=O)CC1=NC2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N","AUKMLEBKRXPQHP-UHFFFAOYSA-N",386041,NA,"PDBC47252","677607","Present",NA,NA
+"47253","NSC677618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677618",NA,"CC(=O)OC1(C(OC(=O)C1=O)C2COC(O2)(C)C)CC=C","ZPMODXCLZDPQAT-PFMWSLTASA-N",386051,NA,"PDBC47253","677618","Present",NA,NA
+"47254","NSC677624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677624",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=CC(=CC2=CC=C(C=C2)Cl)CC(=CC3=CC=C(C=C3)Cl)C=NNS(=O)(=O)C4=CC=C(C=C4)C","NZJFNEWJAONADX-BXWWFWODSA-N",9571949,NA,"PDBC47254","677624","Present",NA,NA
+"47255","NSC677625",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677625",NA,"COC(=O)C1N2C(CS1)C(=O)N(C2=O)C3=CC=CC=C3","SHMJQWQCGIZYDT-FTNKSUMCSA-N",386056,NA,"PDBC47255","677625","Present",NA,NA
+"47256","NSC677626",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677626",NA,"CN1CCC2(CC1)N3C(CS2)C(=O)N(C3=O)C4=CC=C(C=C4)Cl","LMLJVXPBYSCBEB-ZDUSSCGKSA-N",386057,NA,"PDBC47256","677626","Present",NA,NA
+"47257","NSC677628",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677628",NA,"C1C(C(C(C(O1)N2C=NC(=C2C(=O)N)NC=O)O)O)O","CSJBIIRRBWXZMB-UHFFFAOYSA-N",386059,NA,"PDBC47257","677628","Present",NA,NA
+"47258","NSC677632",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677632",NA,"CCOP(=O)(C(C1=CC=C(C=C1)C(NC2=CC=C(C=C2)N=NC3=CC=CC=C3)P(=O)(O)OCC)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)O.[Na+]","VCDAHWIFFRBHAQ-UHFFFAOYSA-N",54600889,NA,"PDBC47258","677632","Present",NA,NA
+"47259","NSC677633",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677633",NA,"CCOP(=O)(C(C1=CC(=CC=C1)C(NC2=CC=C(C=C2)N=NC3=CC=CC=C3)P(=O)(O)OCC)NC4=CC=C(C=C4)N=NC5=CC=CC=C5)O.[Na+]","TUYCISCQNPZJKL-UHFFFAOYSA-N",54608156,NA,"PDBC47259","677633","Present",NA,NA
+"47260","NSC677697",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677697",NA,"CC1=C(N(C2=C1C(=NC(=N2)S(=O)C)S(=O)C)C3=CC=CC=C3)C","HDXTYLORMCSYSS-UHFFFAOYSA-N",386095,NA,"PDBC47260","677697","Present",NA,NA
+"47261","NSC677747",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677747",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4=C3C(=O)C=CC4(C)OC(=O)C)C","QLHJAOAODMJTCK-ITYCPXQKSA-N",386115,NA,"PDBC47261","677747","Present",NA,NA
+"47262","NSC677752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677752",NA,"C1CCC(=O)C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O","MYKWGWFKZSAUSU-LDCVWXEPSA-N",386120,NA,"PDBC47262","677752","Present",NA,NA
+"47263","NSC677753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677753",NA,"C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)O","MMFRIPIYQJMEFA-GARXDOFDSA-N",386121,NA,"PDBC47263","677753","Present",NA,NA
+"47264","NSC677754",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677754",NA,"CC(C)(C)C1CCC(C(C1)C(CC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)O)O","MAYJEKMDSIJSLX-ZNBHLAFESA-N",386122,NA,"PDBC47264","677754","Present",NA,NA
+"47265","NSC677759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677759",NA,"CCC1CCC2C(C1C(=O)OC)CCC3(C2CCC3OC(=O)C)C","GZKGGUXVTSTLPN-VPLQWAOFSA-N",386127,NA,"PDBC47265","677759","Present",NA,NA
+"47266","NSC677760",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677760",NA,"CC(=O)C1CCC2C(C1C(=O)OC)CCC3(C2CCC3OC(=O)C)C","XUQBFQQFSMRJOK-OGQIGFOHSA-N",386128,NA,"PDBC47266","677760","Present",NA,NA
+"47267","NSC677761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677761",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC(C3C(=O)OC)C4(SCCS4)C)C","HOBXRPCLLDMPJC-VEDUKKBTSA-N",386129,NA,"PDBC47267","677761","Present",NA,NA
+"47268","NSC677762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677762",NA,"CC1=NNC(=O)C2C1CCC3C2CCC4(C3CCC4O)C","FAZUSOGHZUUPDW-IOQZLDROSA-N",386130,NA,"PDBC47268","677762","Present",NA,NA
+"47269","NSC677768",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677768",NA,"CC(CO)C1CCC2C1(CCC3C2CC(C45C3(CCC4C5)C)OC)C","FHAMDNXTPYSJGZ-IQKSEEQLSA-N",386136,NA,"PDBC47269","677768","Present",NA,NA
+"47270","NSC677769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677769",NA,"CC(CO)C1CCC2C1(CCC3C2CC(C45C3(CCC4C5)C)OC)C","FHAMDNXTPYSJGZ-YDAIDQRWSA-N",386137,NA,"PDBC47270","677769","Present",NA,NA
+"47271","NSC677770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677770",NA,"CC(COC(=O)C)C1CCC2C1(CCC3C2CC(C45C3(CCC4C5)C)OC)C","OBXKFYVWKKLUHN-KERWABPRSA-N",386138,NA,"PDBC47271","677770","Present",NA,NA
+"47272","NSC677776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677776",NA,"CC1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CC=C3","BXGQQBNWMMLBRN-BOPFTXTBSA-N",5901826,NA,"PDBC47272","677776","Present",NA,NA
+"47273","NSC677784",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677784",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=CC=C2.Cl","LOPVGWQRFVVASL-ASTDGNLGSA-N",6519101,NA,"PDBC47273","677784","Present",NA,NA
+"47274","NSC677786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677786",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)OC.Cl","FBQCTQBPNRFTEU-YGCVIUNWSA-N",6519103,NA,"PDBC47274","677786","Present",NA,NA
+"47275","NSC677787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677787",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=CC=C2Cl.Cl","QJMUEVUKTFSXDO-RRABGKBLSA-N",6519104,NA,"PDBC47275","677787","Present",NA,NA
+"47276","NSC677788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677788",NA,"CC1=CC=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)CN(C)C)O)CN(C)C.Cl","IONJWOMVBALLMB-ASTDGNLGSA-N",6519105,NA,"PDBC47276","677788","Present",NA,NA
+"47277","NSC677789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677789",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl.Cl","HHTQUJLABWCPFU-WVLIHFOGSA-N",6519106,NA,"PDBC47277","677789","Present",NA,NA
+"47278","NSC677790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677790",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=C(C=C(C=C2)Cl)Cl.Cl","VFFOHGULDSRCQU-WVLIHFOGSA-N",6519107,NA,"PDBC47278","677790","Present",NA,NA
+"47279","NSC677791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677791",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=C(C=CC=C2Cl)Cl.Cl","LZAQNSVEDXSINX-HRNDJLQDSA-N",6519108,NA,"PDBC47279","677791","Present",NA,NA
+"47280","NSC677792",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677792",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)Br.Cl","JRIDCFCYYBNDLN-HCUGZAAXSA-N",6519109,NA,"PDBC47280","677792","Present",NA,NA
+"47281","NSC677919",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677919",NA,"C1CC1(C(=O)[O-])[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","FCDCUSDGQAIYBQ-UHFFFAOYSA-N",24202517,NA,"PDBC47281","677919","Present",NA,NA
+"47282","NSC677934",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677934",NA,"COC1=CC=CC(=C1)C(=O)NC2C(C(OC2N3C=NC4=C(N=CN=C43)N)CO)O","ZUKVLQWGVRRKFN-UHFFFAOYSA-N",386218,NA,"PDBC47282","677934","Present",NA,NA
+"47283","NSC677987",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677987",NA,"CCOP(=O)(C1C(OC(C1O)N2C=CC(=O)NC2=O)CO)OCC","WCMMDKKZQAAREO-UHFFFAOYSA-N",386246,NA,"PDBC47283","677987","Present",NA,NA
+"47284","NSC677994",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677994",NA,"CCOC(=O)CC1=NC2=C(N1C3C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)N=CNC2=O","OSPRMIGYTHGMMX-UHFFFAOYSA-N",135465313,NA,"PDBC47284","677994","Present",NA,NA
+"47285","NSC677995",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677995",NA,"C1=NC2=C(C(=O)N1)N=C(N2C3C(C(C(O3)CO)O)O)CC(=O)N","YOZAEVKDSFPSJE-UHFFFAOYSA-N",135489802,NA,"PDBC47285","677995","Present",NA,NA
+"47286","NSC677996",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677996",NA,"CCNC(=O)CC1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=CNC2=O","GAWJJKIBMRKPLG-UHFFFAOYSA-N",135489803,NA,"PDBC47286","677996","Present",NA,NA
+"47287","NSC678004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678004",NA,"CC(=O)OC1CSC(C(C1OC(=O)C)OC(=O)C)OC","AIMHFRFPWGKKTJ-YFKTTZPYSA-N",386261,NA,"PDBC47287","678004","Present",NA,NA
+"47288","NSC678005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678005",NA,"CC1=CN(C(=O)N=C1OC)C2CC(C(O2)CO)F","KBCYHHVUEZPJIB-UHFFFAOYSA-N",386262,NA,"PDBC47288","678005","Present",NA,NA
+"47289","NSC678008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678008",NA,"C1C=C(C2N1CC=C2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl.C(=CC(=O)O)C(=O)O","DECWYOUYHVDPIO-WLHGVMLRSA-N",5468864,NA,"PDBC47289","678008","Present",NA,NA
+"47290","NSC678031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678031",NA,"C1=CC=C(C=C1)CSC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])Cl","CASNIUDSEUARQC-ZUYWJZQFSA-N",54608158,NA,"PDBC47290","678031","Present",NA,NA
+"47291","NSC678033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678033",NA,"C1CNC(=C(C(=C(Cl)Br)Cl)[N+](=O)[O-])N1","SGLNZQAVYTWLGA-HWKANZROSA-N",6112195,NA,"PDBC47291","678033","Present",NA,NA
+"47292","NSC678037",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678037",NA,"CC1=CC(=C(C=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2)C","HOJYNBHWHMCWFL-FBMGVBCBSA-N",5919578,NA,"PDBC47292","678037","Present",NA,NA
+"47293","NSC678084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678084",NA,"CC(=O)OCC1C(C(C(C(O1)SC2=NC(=O)C(=CC3=CC=CC=C3)S2)OC(=O)C)OC(=O)C)OC(=O)C","KTZQLOLSIQEJGZ-ZDLGFXPLSA-N",5468866,NA,"PDBC47293","678084","Present",NA,NA
+"47294","NSC678085",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678085",NA,"C1=CC=C(C=C1)C=C2C(=O)N=C(S2)SC3C(C(C(C(O3)CO)O)O)O","UBZUBLONEXFAER-POHAHGRESA-N",5468867,NA,"PDBC47294","678085","Present",NA,NA
+"47295","NSC678086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678086",NA,"C(C#N)C(=O)NN=CC(C(C(C(CO)O)O)O)O","QFDYSWLUIKTWIM-JYOAFUTRSA-N",6081367,NA,"PDBC47295","678086","Present",NA,NA
+"47296","NSC678153",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678153",NA,"COC(=C(C#N)N=CC1=CC=CS1)N","VBRVHHPCSYPPGE-XHZBUCITSA-N",5468871,NA,"PDBC47296","678153","Present",NA,NA
+"47297","NSC678154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678154",NA,"COC(=C(C#N)N=CC1=CSC=C1)N","AFRPBDOGLVNFAQ-XZJIWZLYSA-N",5468872,NA,"PDBC47297","678154","Present",NA,NA
+"47298","NSC67830",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC67830",NA,"COC1=C(C(=C(C(=C1OC)OC)OC)OC)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC","ZFGYUNMCDABKIT-UHFFFAOYSA-N",249473,NA,"PDBC47298","67830","Present",NA,NA
+"47299","NSC678360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678360",NA,"CCN1C2=C(C=C(C=C2)NC(=O)C3=C(NC(=O)N=C3NCCNCCO)C)C4=CC=CC=C41.Cl","PPCGXSIRJFQQEF-UHFFFAOYSA-N",386389,NA,"PDBC47299","678360","Present",NA,NA
+"47300","NSC678385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678385",NA,"C1CC2=C(C1)C3=C(CC(=CC4=CC=CC=C4C(=O)O)C3=O)C=C2","NUDFHUWVGKUFAQ-GDNBJRDFSA-N",5900862,NA,"PDBC47300","678385","Present",NA,NA
+"47301","NSC678398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678398",NA,"CC=NN1C(=NNC1=O)C","WQMQTCYNLRUNLP-UTCJRWHESA-N",6287638,NA,"PDBC47301","678398","Present",NA,NA
+"47302","NSC678473",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678473",NA,"CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OCC(F)(F)F)O","SEJLRFOCUWYOPK-SSTWWWIQSA-N",386444,NA,"PDBC47302","678473","Present",NA,NA
+"47303","NSC678480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678480",NA,"CCOC(=O)CCC(=NN1C(=NNC1=O)CC2=CC=C(C=C2)Cl)C","HTTFSRNPYUUVCF-JAIQZWGSSA-N",5466142,NA,"PDBC47303","678480","Present",NA,NA
+"47304","NSC678481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678481",NA,"C1=CC=C(C=C1)C2=NNC(=O)N2N=CCCC=NN3C(=NNC3=O)C4=CC=CC=C4","JIZNRIXKUBOICV-JZTLMNBPSA-N",5925486,NA,"PDBC47304","678481","Present",NA,NA
+"47305","NSC678493",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678493",NA,"CC[P+]1(C(CCC1C)C)C2=CC=CC=C2.[I-]","XRWUBMSZTHJPHO-QNTKWALQSA-M",386465,NA,"PDBC47305","678493","Present",NA,NA
+"47306","NSC678496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678496",NA,"CCCN(CCC)C(=C(CC=C)C(=O)OC)C(=O)OC","WOWVMORDTNAQDD-OUKQBFOZSA-N",5468881,NA,"PDBC47306","678496","Present",NA,NA
+"47307","NSC67856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC67856",NA,"CC1(C2CCC1(CN(C2)CCC[N+](C)(C)C)C)C.[I-]","PQMKTUYBYYEEBW-XMZRARIVSA-M",5351866,NA,"PDBC47307","67856","Present",NA,NA
+"47308","NSC678635",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678635",NA,"CC(C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O","LHSMIYCGGUOJJK-UHFFFAOYSA-N",386491,NA,"PDBC47308","678635","Present",NA,NA
+"47309","NSC678636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678636",NA,"C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)NCC3=CC(=O)C=CC3=O","PNLOECMIUPAFEZ-UHFFFAOYSA-N",386492,NA,"PDBC47309","678636","Present",NA,NA
+"47310","NSC678637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678637",NA,"CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O","VUGKHKLRFNGSCU-UHFFFAOYSA-N",386493,NA,"PDBC47310","678637","Present",NA,NA
+"47311","NSC678862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678862",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)C3CC3C(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NCCCN(C)C)C)C.Cl","OFEWVTKAVUWASP-PQQSRXGVSA-N",54608782,NA,"PDBC47311","678862","Present",NA,NA
+"47312","NSC678863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678863",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NCCCN(C)C)C)NC(=O)C3CC3C(=O)NC4=CN(C(=C4)C(=O)NC5=CN(C(=C5)C(=O)NCCCN(C)C)C)C.Cl","OFEWVTKAVUWASP-OCPPCWRMSA-N",54608783,NA,"PDBC47312","678863","Present",NA,NA
+"47313","NSC678870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678870",NA,"CC1=CN(C(=O)N=C1OC)C2CC(C(O2)CO)N=[N+]=[N-]","INEFBFVRASRYAP-UHFFFAOYSA-N",386500,NA,"PDBC47313","678870","Present",NA,NA
+"47314","NSC679001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679001",NA,"CCOC(=O)CN1C(=O)C=CN(C1=O)C(=CC(=O)OCC)C(=O)OCC","RPACIQPWGRDKMR-PKNBQFBNSA-N",5468904,NA,"PDBC47314","679001","Present",NA,NA
+"47315","NSC679002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679002",NA,"CCOC(=O)CN1C(=O)C=CN(C1=O)C(=CC(=O)OCC)C(=O)OCC","RPACIQPWGRDKMR-LUAWRHEFSA-N",5468905,NA,"PDBC47315","679002","Present",NA,NA
+"47316","NSC679063",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679063",NA,"C(C(=O)O)N1C2=C(C(=O)NNC2=O)N=N1","ZUOKLOCDYXYKER-UHFFFAOYSA-N",135444030,NA,"PDBC47316","679063","Present",NA,NA
+"47317","NSC679095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679095",NA,"C1CCN(C1)C(=CC#N)NC(=O)NC2=CC=CC=C2","HFCWWHPYVVGKNN-JYRVWZFOSA-N",5468918,NA,"PDBC47317","679095","Present",NA,NA
+"47318","NSC679101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679101",NA,"C1CC2=C(C1N)N=C3C(CCC3=C2C4=CC=CC=C4)N","UFYFSHZVERDTKN-KBPBESRZSA-N",386644,NA,"PDBC47318","679101","Present",NA,NA
+"47319","NSC679102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679102",NA,"C1CC2=C(C1NC3=NCCN3)N=C4C(CCC4=C2C5=CC=CC=C5)NC6=NCCN6","HNUOOSZHOXTPMS-HDICACEKSA-N",386645,NA,"PDBC47319","679102","Present",NA,NA
+"47320","NSC679104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679104",NA,"CC1=C(C(=C(C(=C1CN)C)CN)C)CN.Cl","YOQCWANKVXTUGQ-UHFFFAOYSA-N",386647,NA,"PDBC47320","679104","Present",NA,NA
+"47321","NSC679105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679105",NA,"CC(=NNC1=CC=CC=C1Br)C2=NC(=CC=C2)C(=NNC3=CC=CC=C3Br)C","AXPWTAQJOGLPEK-LVSXPEEVSA-N",5466143,NA,"PDBC47321","679105","Present",NA,NA
+"47322","NSC679109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679109",NA,"CC(C)(C)C1CCC(=O)C(=CCC2CC(=O)N(C(=O)C2)C3=CC=CC=C3)C1","DMQRPBIUAZTERT-LICLKQGHSA-N",5468920,NA,"PDBC47322","679109","Present",NA,NA
+"47323","NSC679181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679181",NA,"C=CCCC1(C(C(OC(C1O)OC2(C(C(C(O2)CO)O)O)CO)CO)O)O","ZTCFWFSSFJXJPS-OTKHCULNSA-N",386655,NA,"PDBC47323","679181","Present",NA,NA
+"47324","NSC679189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679189",NA,"CCOC1CCC(=CO1)S(=O)C2=CC=C(C=C2)C","ZFYJQMBNZJKTKN-PIVQAISJSA-N",386663,NA,"PDBC47324","679189","Present",NA,NA
+"47325","NSC679209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679209",NA,"CC1=NC2=C(C=C(C=C2)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)N1C4=CC=CC=C4","MIAIRZLABFGYEL-UHFFFAOYSA-N",386681,NA,"PDBC47325","679209","Present",NA,NA
+"47326","NSC679214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679214",NA,"CC1=NC2=C(C=C(C=C2)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)N1C4=CC=C(C=C4)OC","RQKBJGKYFGKYMS-UHFFFAOYSA-N",386685,NA,"PDBC47326","679214","Present",NA,NA
+"47327","NSC679240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679240",NA,"C1=CC=C2C(=C1)C(=O)C3=C(S2)SC(=C3)C=C4C(=O)NC(=S)N4","FMKNPXKFOWSHER-POHAHGRESA-N",5468927,NA,"PDBC47327","679240","Present",NA,NA
+"47328","NSC679241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679241",NA,"C1=CC=C(C=C1)N2C(=O)C(=CC3=CC4=C(S3)SC5=CC=CC=C5C4=O)NC2=S","STVGZEPRWJQVLV-WJDWOHSUSA-N",5468928,NA,"PDBC47328","679241","Present",NA,NA
+"47329","NSC679242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679242",NA,"C1COCCN1CN2C(=O)C(=CC3=CC=C(S3)Br)NC2=S","NLPCGWGVNAPOKC-YFHOEESVSA-N",5468929,NA,"PDBC47329","679242","Present",NA,NA
+"47330","NSC679243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679243",NA,"C1CCN(CC1)CN2C(=O)C(=CC3=CC=C(S3)Br)NC2=S","HDMXDTZBZUFELG-FLIBITNWSA-N",5468930,NA,"PDBC47330","679243","Present",NA,NA
+"47331","NSC679246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679246",NA,"CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=C(S3)Br)C(=O)N2CN4CCOCC4)OC(=O)C)OC(=O)C)OC(=O)C","QDNWMDTXVCMUTR-ODLFYWEKSA-N",5468932,NA,"PDBC47331","679246","Present",NA,NA
+"47332","NSC679247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679247",NA,"CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC4=C(S3)SC5=CC=CC=C5C4=O)C(=O)N2C6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C","FGAPTRDRAHEHJH-MYYYXRDXSA-N",5468933,NA,"PDBC47332","679247","Present",NA,NA
+"47333","NSC679260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679260",NA,"CCOC(=O)CCCC1=CC(=O)C2=C(N1)C(=C3C4=C(C=CC(=C4)Cl)NC3=C2C)C.CS(=O)(=O)O","GQWJTHWWFBFRON-UHFFFAOYSA-N",499467,NA,"PDBC47333","679260","Present",NA,NA
+"47334","NSC679271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679271",NA,"C1(C(C(=O)C2=C(SC(=C21)Br)Br)Br)N.Cl","IZFGDGXIMLBGLI-RFKZQXLXSA-N",383025,NA,"PDBC47334","679271","Present",NA,NA
+"47335","NSC679433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679433",NA,"CC(=O)C1CCC2(C(C1)CCC3C2CCC4(C3CC(=COC(=O)C)C4=O)C)C","BMCQMJJFWPNLKQ-PUZOLFISSA-N",5468939,NA,"PDBC47335","679433","Present",NA,NA
+"47336","NSC679489",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679489",NA,"CCOC(=O)NN=C(CC1=CC=CC=C1)N","HPHKSRUYJZEUIK-UHFFFAOYSA-N",5466173,NA,"PDBC47336","679489","Present",NA,NA
+"47337","NSC679490",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679490",NA,"CCOC(=O)NN=C(C1=CC(=CC=C1)Br)N","MTIXACQCJXUBII-UHFFFAOYSA-N",5466174,NA,"PDBC47337","679490","Present",NA,NA
+"47338","NSC679491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679491",NA,"CCOC(=O)NN=C(C1=CC(=CC=C1)[N+](=O)[O-])N","SBCTVAYRVINUER-UHFFFAOYSA-N",5466175,NA,"PDBC47338","679491","Present",NA,NA
+"47339","NSC679514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679514",NA,"CCC1(COC2(O1)CCCCC2)CC3CC4(C5=C(CCN4C3=O)C6=CC=CC=C6N5)C(=O)OC","FFJBQYHVEXRFKH-IPEONRORSA-N",386806,NA,"PDBC47339","679514","Present",NA,NA
+"47340","NSC679515",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679515",NA,"CCC(=C)CC1CC2(C3=C(CCN2C1=O)C4=CC=CC=C4N3)C(=O)OC","DDETXFVRKGDIDT-SPLOXXLWSA-N",386807,NA,"PDBC47340","679515","Present",NA,NA
+"47341","NSC679516",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679516",NA,"CCC1(COC2(O1)CCCCC2)CC3CC4(C5=C(CCN4C3=S)C6=CC=CC=C6N5)C(=O)OC","RVSIVWOTBGDMFE-IPEONRORSA-N",386808,NA,"PDBC47341","679516","Present",NA,NA
+"47342","NSC679519",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679519",NA,"CCC12CCC3=C(C1N(C(=S)C=C2)CCSC4=CC=CC=C4)C5=CC=CC=C5N3S(=O)(=O)C6=CC=C(C=C6)OC","ZRWZBBVRYPGGEX-ROJLCIKYSA-N",386811,NA,"PDBC47342","679519","Present",NA,NA
+"47343","NSC679520",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679520",NA,"CCC12CCC3=C(C1N(C(=S)CC2)CCSC4=CC=CC=C4)C5=CC=CC=C5N3S(=O)(=O)C6=CC=C(C=C6)OC","NGTLDIWZZFLCHR-ROJLCIKYSA-N",386812,NA,"PDBC47343","679520","Present",NA,NA
+"47344","NSC679521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679521",NA,"COC(=O)C12CCC(=O)N1C(CC3=C2NC4=CC=CC=C34)C(=O)O","TXHFQIUBBZKGAF-YVEFUNNKSA-N",386813,NA,"PDBC47344","679521","Present",NA,NA
+"47345","NSC679538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679538",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=CCCC2C1(C(C(=O)N2)CC3=CC=C(C=C3)[N+](=O)[O-])C","YDMXKIHCINZRAJ-TZBSWOFLSA-N",386830,NA,"PDBC47345","679538","Present",NA,NA
+"47346","NSC679539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679539",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=CCCC2C1(C(C(=O)N2)CC3=CC=CC=C3)C","MAEFGDXAOKXWIQ-TZBSWOFLSA-N",386831,NA,"PDBC47346","679539","Present",NA,NA
+"47347","NSC679541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679541",NA,"C1CC(CC2(C1)CCCC(=O)N2)O","KQJYNGLVJSFIJZ-SCZZXKLOSA-N",386833,NA,"PDBC47347","679541","Present",NA,NA
+"47348","NSC679569",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679569",NA,NA,NA,NA,NA,"PDBC47348","679569","Present",NA,NA
+"47349","NSC679570",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679570",NA,NA,NA,NA,NA,"PDBC47349","679570","Present",NA,NA
+"47350","NSC679571",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679571",NA,NA,NA,NA,NA,"PDBC47350","679571","Present",NA,NA
+"47351","NSC679572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679572",NA,NA,NA,NA,NA,"PDBC47351","679572","Present",NA,NA
+"47352","NSC679573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679573",NA,NA,NA,NA,NA,"PDBC47352","679573","Present",NA,NA
+"47353","NSC679575",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679575",NA,"C1CN2CC3CN1CC(C2)(C3=NN)C4=CC=C(C=C4)[N+](=O)[O-]","ONFJPDDOPCLAIT-VKAVYKQESA-N",5466180,NA,"PDBC47353","679575","Present",NA,NA
+"47354","NSC679588",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679588",NA,"CCCC(=O)OC1CC(C2(C(C1(C)O)C(C3(C(C(=O)OC3C(C(=C)C4C(C2OC(=O)C)O4)Cl)C)O)OC(=O)C)C)OC(=O)C","LFUNBQRXILHCGL-WWDSBTMUSA-N",11972625,NA,"PDBC47354","679588","Present",NA,NA
+"47355","NSC679597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679597",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Br","QMELSZUTQFHGEW-UHFFFAOYSA-N",386855,NA,"PDBC47355","679597","Present",NA,NA
+"47356","NSC679799",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679799",NA,"C[N+](C)(C)C(CSSCC(C(=O)[O-])[N+](C)(C)C)C(=O)[O-]","FOGHQTAZDSIRGR-UHFFFAOYSA-N",24202524,NA,"PDBC47356","679799","Present",NA,NA
+"47357","NSC680090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680090",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C2=CC4=C(NC(=S)N4)O","STSUTNPXPCSUDU-JLHYYAGUSA-N",135493375,NA,"PDBC47357","680090","Present",NA,NA
+"47358","NSC680096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680096",NA,"CCCC1C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N","SGDLNVXRMQKCGB-NSHDSACASA-N",386934,NA,"PDBC47358","680096","Present",NA,NA
+"47359","NSC680097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680097",NA,"CCCC1C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N","SGDLNVXRMQKCGB-LLVKDONJSA-N",386935,NA,"PDBC47359","680097","Present",NA,NA
+"47360","NSC680098",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680098",NA,"CCC(C)C1C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N","XBSZIGWKUWBKQU-KFJBMODSSA-N",386936,NA,"PDBC47360","680098","Present",NA,NA
+"47361","NSC680099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680099",NA,"C1=CC=C(C=C1)COC(=O)N2C(C(=O)N=C2N)CCC(=O)N","FEAHAQRLGWPFHJ-JTQLQIEISA-N",386937,NA,"PDBC47361","680099","Present",NA,NA
+"47362","NSC680100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680100",NA,"CSCCC1C(=O)N=C(N1C(=O)OCC2=CC=CC=C2)N","CAIGUFPOGWHYQQ-NSHDSACASA-N",386938,NA,"PDBC47362","680100","Present",NA,NA
+"47363","NSC680101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680101",NA,"C1=CC=C(C=C1)COC(=O)N2C(C(=O)N=C2N)CSCC3=CC=CC=C3","QXCZUWLGIASAKN-INIZCTEOSA-N",386939,NA,"PDBC47363","680101","Present",NA,NA
+"47364","NSC680102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680102",NA,"C1=CC=C(C=C1)COC(=O)N2C(C(=O)N=C2N)CC3=CNC4=CC=CC=C43","IJCVNIZXCWRNKZ-KRWDZBQOSA-N",386940,NA,"PDBC47364","680102","Present",NA,NA
+"47365","NSC680207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680207",NA,"C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)OCC2C(C(C(O2)CP(=O)(O)O)O)O.N","WSIAVFLDCOBEJY-UHFFFAOYSA-N",386970,NA,"PDBC47365","680207","Present",NA,NA
+"47366","NSC680295",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680295",NA,"C1C(C1NC2=C(C(=NC=N2)Cl)N)CO","LZUXPHAFDIFTAQ-CRCLSJGQSA-N",386984,NA,"PDBC47366","680295","Present",NA,NA
+"47367","NSC680298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680298",NA,"CC1(C2C3CC4C2C5(C1C3C4C5Br)O)O","QPWVLPJYSXVTHC-DMZAFEKPSA-N",386987,NA,"PDBC47367","680298","Present",NA,NA
+"47368","NSC680299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680299",NA,"C1C2C3C4C1C5C2C(C3C5(C4Br)O)(C6=C(C(=C(C(=C6F)F)F)F)F)O","IODPQNWDBGXUDE-XDHMONCWSA-N",54602841,NA,"PDBC47368","680299","Present",NA,NA
+"47369","NSC680300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680300",NA,"CC1=CC(=C(C(=C1)CN(CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4)O)CN(CC6=CC=CC=C6)CC7=NC8=CC=CC=C8N7.Cl","HIZJDILVTNIETI-UHFFFAOYSA-N",386989,NA,"PDBC47369","680300","Present",NA,NA
+"47370","NSC680306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680306",NA,"C1C(C(OC1N2C=NC3=C(C=CN=C32)N)CO)O","NFSMISQRIPNDDE-UHFFFAOYSA-N",386996,NA,"PDBC47370","680306","Present",NA,NA
+"47371","NSC680311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680311",NA,NA,NA,NA,NA,"PDBC47371","680311","Present",NA,NA
+"47372","NSC680326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680326",NA,"C1C(C1N2C=CC(=O)NC2=O)CO","UMIBAQGXMVUTBS-PHDIDXHHSA-N",6712400,NA,"PDBC47372","680326","Present",NA,NA
+"47373","NSC680327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680327",NA,"C1C(C1N2C=CC(=O)NC2=O)CO","UMIBAQGXMVUTBS-NTSWFWBYSA-N",6712401,NA,"PDBC47373","680327","Present",NA,NA
+"47374","NSC680328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680328",NA,"C1C(C1N2C=NC3=C2N=CNC3=O)CO","BTKLUITVYUQMTF-PHDIDXHHSA-N",135485962,NA,"PDBC47374","680328","Present",NA,NA
+"47375","NSC680329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680329",NA,"C1C(C1N2C=NC3=C2N=CNC3=O)CO","BTKLUITVYUQMTF-NTSWFWBYSA-N",135489815,NA,"PDBC47375","680329","Present",NA,NA
+"47376","NSC680330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680330",NA,"CC1=CN(C(=O)NC1=O)C2CC2CO","CKCWEDIWMYALPQ-RNFRBKRXSA-N",6712404,NA,"PDBC47376","680330","Present",NA,NA
+"47377","NSC680331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680331",NA,"CC1=CN(C(=O)NC1=O)C2CC2CO","CKCWEDIWMYALPQ-NKWVEPMBSA-N",6712405,NA,"PDBC47377","680331","Present",NA,NA
+"47378","NSC680332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680332",NA,"C1CC2C(CCN2C1)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","RJNCWURFJNHQGX-ZJLYAJKPSA-N",387010,NA,"PDBC47378","680332","Present",NA,NA
+"47379","NSC680337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680337",NA,"C1C(=CO)C(=O)C2=CC=CC=C2NC1=O","VKHQEKWKODCSOB-VOTSOKGWSA-N",5468963,NA,"PDBC47379","680337","Present",NA,NA
+"47380","NSC680343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680343",NA,"CN(C)CC1=C(C=CC(=C1)C(=O)NN=CC2=CC=C(C=C2)OC)O.Cl","ZWZLRFNXQRMZBX-YLFUTEQJSA-N",9556225,NA,"PDBC47380","680343","Present",NA,NA
+"47381","NSC680474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680474",NA,"CC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=NC3=CC=CC=C3C=C2","KRQKEYRONIRJKE-YBFXNURJSA-N",5466189,NA,"PDBC47381","680474","Present",NA,NA
+"47382","NSC680520",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680520",NA,"CCOP(=O)(C(=CC1=CC=CN1C(C)C)C#N)OCC","GBPJAYHBHIOMPT-GXDHUFHOSA-N",5468972,NA,"PDBC47382","680520","Present",NA,NA
+"47383","NSC680532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680532",NA,"COC(=O)N1CCC2C1C(=CCC2)C3=C4C(=CC=C3)OCO4","ANAQTFAXWHULDC-XHDPSFHLSA-N",387128,NA,"PDBC47383","680532","Present",NA,NA
+"47384","NSC680680",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680680",NA,"C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N3C(=O)C2=CO)C#N","MGUCSMQREHCPNT-SDNWHVSQSA-N",135496360,NA,"PDBC47384","680680","Present",NA,NA
+"47385","NSC680761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680761",NA,"CCOC(=O)C=CC(C(C)(C)C)O[Si](CC)(CC)CC","CRNOYZWUXYOPSW-FNDVETGQSA-N",5468978,NA,"PDBC47385","680761","Present",NA,NA
+"47386","NSC680762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680762",NA,"CCC(C=CC(=O)OCC)O[Si](C(C)C)(C(C)C)C(C)C","YRYUITSZIIQWIE-LPQFERQCSA-N",5468979,NA,"PDBC47386","680762","Present",NA,NA
+"47387","NSC680763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680763",NA,"CCOC(=O)C=CC(C(C)(C)C)O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","XKHONUBXOPIYFT-RFJJORBGSA-N",5468980,NA,"PDBC47387","680763","Present",NA,NA
+"47388","NSC680765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680765",NA,"CCCC[Si](CCCC)(CCCC)OC(CC1=CC=CC=C1)C(C=CC(=O)OCC)O[Si](CCCC)(CCCC)CCCC","XCDKCRPWOWJDPF-HZRZSJFRSA-N",5468982,NA,"PDBC47388","680765","Present",NA,NA
+"47389","NSC680769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680769",NA,"CC(C)(C)[Si](C)(C)OC(C=CC(=O)NCC(=O)OC)C(C=CC(=O)NCC(=O)OC)O[Si](C)(C)C(C)(C)C","JUSVWKHPAMHOFX-SZJNQVCBSA-N",5468984,NA,"PDBC47389","680769","Present",NA,NA
+"47390","NSC680776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680776",NA,"CC(C)(C)[Si](C)(C)OC(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)OC3CCCC=C3","PXCNNYUYKNYPFN-NCPLZGKYSA-N",387214,NA,"PDBC47390","680776","Present",NA,NA
+"47391","NSC680777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680777",NA,"CC(C)(C)[Si](C)(C)OC(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)C(=O)OC(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","QJCWYBLPVLZEAA-UZNNEEJFSA-N",387215,NA,"PDBC47391","680777","Present",NA,NA
+"47392","NSC680778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680778",NA,"C1=CC=C(C=C1)C(C(C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C3=CC=CC=C3","PVLXPSMDRGNBGA-LEWJYISDSA-N",387216,NA,"PDBC47392","680778","Present",NA,NA
+"47393","NSC680822",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680822",NA,"CC(=O)OCC1C(C(C(O1)N2C=NC3=C2C(=O)NC(=N3)Br)OC(=O)C)OC(=O)C","DYSUQXLQPPCSST-UHFFFAOYSA-N",135489818,NA,"PDBC47393","680822","Present",NA,NA
+"47394","NSC680823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680823",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=O)N2)N=CN3C4C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C","NNPBZEQXDPRIPV-UHFFFAOYSA-N",135408136,NA,"PDBC47394","680823","Present",NA,NA
+"47395","NSC680824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680824",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N=CN3C4CC(C(O4)COC5=CC=C(C=C5)C)OC6=CC=C(C=C6)C","KZTFKZDDHAPENG-UHFFFAOYSA-N",387248,NA,"PDBC47395","680824","Present",NA,NA
+"47396","NSC680825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680825",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)Cl)N(C=N3)C4CC(C(O4)COC5=CC=C(C=C5)C)OC6=CC=C(C=C6)C","TYSIWNAISBCVHF-UHFFFAOYSA-N",387249,NA,"PDBC47396","680825","Present",NA,NA
+"47397","NSC680832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680832",NA,"CC(=O)OCC1C(CC(O1)N2C(=CC(=O)NC2=O)C#N)OC(=O)C","ZBTRHDRHWZYQKV-UHFFFAOYSA-N",387251,NA,"PDBC47397","680832","Present",NA,NA
+"47398","NSC680834",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680834",NA,"CC(C)[Si]1(OCC2C(CC(O2)N3C(CC(=O)NC3=O)C(C4=CC=CC=C4)O)O[Si](O1)(C(C)C)C(C)C)C(C)C","LCVKRPARHSQQEA-GXITUNGBSA-N",387253,NA,"PDBC47398","680834","Present",NA,NA
+"47399","NSC680993",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC680993",NA,"CNC1=NC(=O)C2=NC(=C(N(C2=N1)CCO)C3=CC=CC=C3)C4=CC=CC=C4.Cl","ISSLFDVERIUGGF-UHFFFAOYSA-N",387299,NA,"PDBC47399","680993","Present",NA,NA
+"47400","NSC681073",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681073",NA,"CC(C)(C)C1N(C(CO1)C(=O)OC)C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3","NZXCHVDBYTZBPG-HXBUSHRASA-N",387328,NA,"PDBC47400","681073","Present",NA,NA
+"47401","NSC681074",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681074",NA,"CC1(C(N2C(S1(=O)=O)C(C2=O)NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)O)C.[Na+]","BKQSFSAHMPITAX-QQQUOLKDSA-N",54608446,NA,"PDBC47401","681074","Present",NA,NA
+"47402","NSC681078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681078",NA,"CC12CCCCC1=CC(=NN=C3N(C4=CC=CC=C4S3)C)CC2","IUZHEHZKBGVLLY-XMUCCTBASA-N",5466196,NA,"PDBC47402","681078","Present",NA,NA
+"47403","NSC681079",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681079",NA,"CC1(C2CCC1(CC2)CS(=O)(=O)NC(C(=O)OC)C(C)(C)C)C","QWNFDZKCCZDQPB-UIORMTCPSA-N",387335,NA,"PDBC47403","681079","Present",NA,NA
+"47404","NSC681085",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681085",NA,"B(OC(=NN=C(C)C1=CC=CC=N1)N)(F)F","XWFZEGCCPDCIGD-MKMNVTDBSA-N",9571970,NA,"PDBC47404","681085","Present",NA,NA
+"47405","NSC681086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681086",NA,"B(F)(F)SC(=NN=C(C)C1=CC2=CC=CC=C2C=C1)N","IRLLNVJBPLZFNI-GIJQJNRQSA-N",9571971,NA,"PDBC47405","681086","Present",NA,NA
+"47406","NSC681110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681110",NA,"CC(C)COC(=O)C(=CC1=CC(=C(C=C1)OC)OC)C2=CC(=C(C=C2)OC)OC","KMAUYUJXBGTMIJ-WQRHYEAKSA-N",5468999,NA,"PDBC47406","681110","Present",NA,NA
+"47407","NSC681111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681111",NA,"COC1=CC=CC=C1CNCC2=NC3=CC=CC=C3N2.Cl","OQGQNWXREKIOEA-UHFFFAOYSA-N",387357,NA,"PDBC47407","681111","Present",NA,NA
+"47408","NSC681129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681129",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-].Cl","OEQCIJWTIMYKPM-HCUGZAAXSA-N",6519169,NA,"PDBC47408","681129","Present",NA,NA
+"47409","NSC681130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681130",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)O.Cl","BSYSZMWLNKAIFM-HCUGZAAXSA-N",6519172,NA,"PDBC47409","681130","Present",NA,NA
+"47410","NSC681131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681131",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC(=CC=C2)Cl.Cl","PDMSUGVVKLXXIG-HRNDJLQDSA-N",6519174,NA,"PDBC47410","681131","Present",NA,NA
+"47411","NSC681132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681132",NA,"C1COCCN1CC2=CC(=CC(=C2O)CN3CCOCC3)C(=O)C=CC4=CC=CC=C4.Cl","LDMFYZJUNMMKFU-UHDJGPCESA-N",6519175,NA,"PDBC47411","681132","Present",NA,NA
+"47412","NSC681151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681151",NA,"C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=C(C=C4)NCC5=CC(=O)C=CC5=O","TXXUWUFMSLQMBL-UHFFFAOYSA-N",387401,NA,"PDBC47412","681151","Present",NA,NA
+"47413","NSC681231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681231",NA,"B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)N3CCOCC3)(O)O","MQMHIOPMTAJOHV-RTWAWAEBSA-N",387442,NA,"PDBC47413","681231","Present",NA,NA
+"47414","NSC681310",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681310",NA,"CN(C1=NC(=CC(=O)OC)C(=O)N1)N=CC2=CC=CC=C2","GBPRBSSPNZHULF-UMPOCWKLSA-N",135449124,NA,"PDBC47414","681310","Present",NA,NA
+"47415","NSC681311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681311",NA,"CC=CC1C2C1(C(=O)C3C(C3(C2=O)Cl)C=CC)Cl","YOKDVLMTTYBDEZ-GEWNZKQTSA-N",5469010,NA,"PDBC47415","681311","Present",NA,NA
+"47416","NSC681312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681312",NA,"C1=CC=C(C=C1)C2C3C2(C(=O)C4C(C4(C3=O)Cl)C5=CC=CC=C5)Cl","UNEGTQFQRVOMCV-LWDKGXHOSA-N",387501,NA,"PDBC47416","681312","Present",NA,NA
+"47417","NSC681314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681314",NA,"C1=CC=C(C=C1)COC(=O)N2C(C(=O)OC(C2C3=CC=CC=C3)C4=CC=CC=C4)CCCC(C(=O)O)NC(C5=CC=CC=C5)C(C6=CC=CC=C6)O.Cl","QYVYTXFMNVDJPG-TUICDNFPSA-N",387503,NA,"PDBC47417","681314","Present",NA,NA
+"47418","NSC681320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681320",NA,"CC1=C(SC(=CC2=CC=C(C=C2)C=C3SC(=C(S3)SC)C)S1)SC","UDCKCYBSAULLKI-KAVGSWPWSA-N",5469011,NA,"PDBC47418","681320","Present",NA,NA
+"47419","NSC681321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681321",NA,"COC(=O)C(C(C(=O)OC)N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)NC3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6.COC(=O)C(C(C(=O)OC)N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)NC3(C4=CC=CC=C4C5=CC=CC=C53)C6=CC=CC=C6","FZTLXEXFGHEDCX-GXILNGQSSA-N",11980930,NA,"PDBC47419","681321","Present",NA,NA
+"47420","NSC681322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681322",NA,"C1=CC=C(C=C1)CC2C(C(C(=N)N2S(=O)(=O)C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","ZXNONRDVIBBQRE-LQJZCPKCSA-N",387511,NA,"PDBC47420","681322","Present",NA,NA
+"47421","NSC681323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681323",NA,"C1=CC=C(C=C1)CC(C(C2=CC=CC=C2)C(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)NS(=O)(=O)C5=CC=CC=C5","QZCPZALVARZXKU-HEVIKAOCSA-N",387512,NA,"PDBC47421","681323","Present",NA,NA
+"47422","NSC681461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681461",NA,"CC1(C2CC1C3=CN=C(C=C3C2CC4=CC=C(C=C4)CC5C6CC(C6(C)C)C7=CN=C(C=C57)C8=CC=CC=N8)C9=CC=CC=N9)C","GUJWHYZRSGAFLS-UDCMKDCESA-N",6712408,NA,"PDBC47422","681461","Present",NA,NA
+"47423","NSC681465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681465",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)C(=O)C=CC6=CC=C(C=C6)O)C)C(=O)O","REILSQVUDFCUDB-IBYHEPMPSA-N",5469012,NA,"PDBC47423","681465","Present",NA,NA
+"47424","NSC681632",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681632",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CC6=CC=C(C=C6)O)N)O.Cl","HOOGAPKFLLRCDE-HAVXLIFDSA-N",54608935,NA,"PDBC47424","681632","Present",NA,NA
+"47425","NSC681633",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681633",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CO)N)O.Cl","WEOSKUBEFLTKBY-RQRDWYMYSA-N",54608425,NA,"PDBC47425","681633","Present",NA,NA
+"47426","NSC681634",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681634",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CC(C)C)N)O.Cl","UMMXWRQDMFFTIQ-SMRVMXDDSA-N",54608402,NA,"PDBC47426","681634","Present",NA,NA
+"47427","NSC681635",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681635",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CCSC)N)O.Cl","DIPRQQLOCWIKGQ-VHJCEVHXSA-N",54608835,NA,"PDBC47427","681635","Present",NA,NA
+"47428","NSC681636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681636",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(C)N)O.Cl","STZLIGFSTBEMSS-NEEDQATFSA-N",54608427,NA,"PDBC47428","681636","Present",NA,NA
+"47429","NSC681637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681637",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)CN)O.Cl","HCSYBVXKMRSFGO-BBZRIIBOSA-N",54608404,NA,"PDBC47429","681637","Present",NA,NA
+"47430","NSC681638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681638",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C6CCCN6)O.Cl","FZXLCMOYPYDKLS-YJWRHCKUSA-N",54608406,NA,"PDBC47430","681638","Present",NA,NA
+"47431","NSC681639",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681639",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CC6=CN=CN6)N)O.Cl","BNTKVCTZDVDUDI-ZEPXXKTOSA-N",54608937,NA,"PDBC47431","681639","Present",NA,NA
+"47432","NSC681640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681640",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CC6=CNC7=CC=CC=C76)N)O.Cl","BWQAZXRQACFATN-BFXWLBEMSA-N",54608408,NA,"PDBC47432","681640","Present",NA,NA
+"47433","NSC681641",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681641",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C6=CC=C(C=C6)N)O.Cl","AJGVFWAVHIKETD-DAIHKNLPSA-N",54601571,NA,"PDBC47433","681641","Present",NA,NA
+"47434","NSC681642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681642",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(CS)N)O.Cl","XCSINKBBQFDVDN-RQRDWYMYSA-N",54608410,NA,"PDBC47434","681642","Present",NA,NA
+"47435","NSC681643",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681643",NA,"CCC(C)C(C(=O)NN=CC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=CC=CC=C51)N.Cl","YEZRUBTZTSTSJL-GLWLTATESA-N",54608412,NA,"PDBC47435","681643","Present",NA,NA
+"47436","NSC681644",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681644",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C[N+](C)(C)C)O.[Cl-]","PNLAJXJZJOSGHB-SNYZSRNZSA-N",54608939,NA,"PDBC47436","681644","Present",NA,NA
+"47437","NSC681645",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681645",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C(=O)N)O.Cl","YRPILRAHWQXYSW-PTICAZPPSA-N",54608414,NA,"PDBC47437","681645","Present",NA,NA
+"47438","NSC681646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681646",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NNC(=O)C[N+]6=CC=CC=C6)O.[Cl-]","DKPXKFFZOGUNNM-JCOPYZAKSA-N",54608429,NA,"PDBC47438","681646","Present",NA,NA
+"47439","NSC681660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681660",NA,"CC(C)(C)OC(=O)C1CCC(=O)N1C2(C3=CC=CC=C3C4=CC=CC=C42)C5=CC=CC=C5","ZMNQSAJGWRXSPA-DEOSSOPVSA-N",387653,NA,"PDBC47439","681660","Present",NA,NA
+"47440","NSC681694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681694",NA,"CC1=CC=C(C=C1)NC2=CC(=O)NC(=S)N2.[Na+]","MSELXDWRUFXGIN-UHFFFAOYSA-N",54608436,NA,"PDBC47440","681694","Present",NA,NA
+"47441","NSC681719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681719",NA,"CC(C)C(C(C)C)OC(=O)C1=CC=C(C=C1)NCC2=CC(=O)C=CC2=O","INTVTEMVYKAJMJ-UHFFFAOYSA-N",387690,NA,"PDBC47441","681719","Present",NA,NA
+"47442","NSC681759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681759",NA,"CCC=NN1C(C(C(=C1N)C#N)(C#N)C#N)CC","HGZUROCVIZWLIG-ZWSORDCHSA-N",5870077,NA,"PDBC47442","681759","Present",NA,NA
+"47443","NSC681760",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681760",NA,"CC(C)C=NN1C(C(C(=C1N)C#N)(C#N)C#N)C(C)C","YXZRGFPAXFFSPR-SWNXQHNESA-N",5993523,NA,"PDBC47443","681760","Present",NA,NA
+"47444","NSC681762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681762",NA,"C1=COC(=C1)C=NN2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CO3","MCFGKNDMYIOZSR-ODCIPOBUSA-N",9556240,NA,"PDBC47444","681762","Present",NA,NA
+"47445","NSC681773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681773",NA,"CC=NN1C(=C(C(=C1N)C#N)C#N)C","FEOYBSSTYGNKKU-DXNYSGJVSA-N",5892735,NA,"PDBC47445","681773","Present",NA,NA
+"47446","NSC681774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681774",NA,"CC(C)C=NN1C(=C(C(=C1N)C#N)C#N)C(C)C","QMZKZYMJDVADHC-IDUWFGFVSA-N",5938021,NA,"PDBC47446","681774","Present",NA,NA
+"47447","NSC681775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681775",NA,"C1=CC=C(C=C1)C=NN2C(=C(C(=C2N)C#N)C#N)C3=CC=CC=C3","XNHOQZIJDHITDO-QRVIBDJDSA-N",5851965,NA,"PDBC47447","681775","Present",NA,NA
+"47448","NSC681856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681856",NA,"CC1=C(C(C(C1)NN(C)C)(C#N)C#N)C#N.Cl","CLIHGCXLYBZOGL-UHFFFAOYSA-N",387783,NA,"PDBC47448","681856","Present",NA,NA
+"47449","NSC681946",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681946",NA,"C1=CSC2=C1C(C(C2=NO)O)NC(=O)C(F)(F)F","XXPSPOTXMUYWET-UJAKGBBPSA-N",9571976,NA,"PDBC47449","681946","Present",NA,NA
+"47450","NSC681948",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681948",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2C(C(=NO)C3=C2C=CS3)O","JPWKRBICFQIOPE-BXTHTJASSA-N",9571978,NA,"PDBC47450","681948","Present",NA,NA
+"47451","NSC681949",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681949",NA,"C1=CSC2=C1C(C(C2=NO)O)NC(=O)CN.C(=O)(C(F)(F)F)O","MQSZLMBRRPSPGK-RXRBVPJVSA-N",9571979,NA,"PDBC47451","681949","Present",NA,NA
+"47452","NSC681950",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681950",NA,"C1=CC=C(C=C1)CC(C(=O)NC2C(C(=NO)C3=C2C=CS3)O)N.C(=O)(C(F)(F)F)O","REEOCXSHIWEZPM-XTUICOIMSA-N",9571980,NA,"PDBC47452","681950","Present",NA,NA
+"47453","NSC681952",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681952",NA,"CC(C)(C)OC(=O)NCC(=O)NC1CC(=NO)C2=C1C=CS2","QPJOCIVAEUBKKN-LICLKQGHSA-N",5466215,NA,"PDBC47453","681952","Present",NA,NA
+"47454","NSC681953",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681953",NA,"CC(C)(C)OC(=O)NCC(=O)NC1CC(=NOC)C2=C1C=CS2","CNAYTPAPGSFYRW-WOJGMQOQSA-N",5466216,NA,"PDBC47454","681953","Present",NA,NA
+"47455","NSC681954",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681954",NA,"CON=C1CC(C2=C1SC=C2)NC(=O)C(F)(F)F","CUWNZTWJLCDXCB-VIZOYTHASA-N",5466217,NA,"PDBC47455","681954","Present",NA,NA
+"47456","NSC681955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681955",NA,"CON=C1C(C(C2=C1SC=C2)NC(=O)C(F)(F)F)O","AIOAAHDGQGMRHM-VYOZRIFASA-N",9571981,NA,"PDBC47456","681955","Present",NA,NA
+"47457","NSC681956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681956",NA,"CC(C)(C)OC(=O)NCC(=O)NC1C(C(=NOC)C2=C1C=CS2)O","PIKJXCUVKRYVNV-KVMIPUSJSA-N",9571982,NA,"PDBC47457","681956","Present",NA,NA
+"47458","NSC681957",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681957",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC2C(C(=NOC)C3=C2C=CS3)O","JDHFUGJVMSDXFK-VVPUFOCPSA-N",9571983,NA,"PDBC47458","681957","Present",NA,NA
+"47459","NSC681959",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681959",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC=CC=C3","WIZKOACVGYZSPQ-YKDNHGNVSA-N",135509214,NA,"PDBC47459","681959","Present",NA,NA
+"47460","NSC681960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681960",NA,"CC1=CC=C(C=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Cl)O)C3=C(C=C(C=C3)N(CCC#N)CCC#N)C","ONCUOZNYVVTBQD-VEAHTEBKSA-N",135509215,NA,"PDBC47460","681960","Present",NA,NA
+"47461","NSC681961",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681961",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC=C(C=C3)Cl","HVQNQLQFOVNERJ-AUOHKUMDSA-N",135509216,NA,"PDBC47461","681961","Present",NA,NA
+"47462","NSC681962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681962",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC(=CC=C3)OC","GCBJAYRRJVMFFP-VEAHTEBKSA-N",135509217,NA,"PDBC47462","681962","Present",NA,NA
+"47463","NSC681963",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681963",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC=C(C=C3)[N+](=O)[O-]","JEJHIQISUMSFHM-YKDNHGNVSA-N",135509218,NA,"PDBC47463","681963","Present",NA,NA
+"47464","NSC681964",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681964",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)O)N=NC3=CC=C(C=C3)C(=O)O","GKSLQSVMJAZWKM-AUOHKUMDSA-N",135509219,NA,"PDBC47464","681964","Present",NA,NA
+"47465","NSC681965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681965",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)C(=O)C3=CC=CC=C3)N=NC4=CC=C(C=C4)OC","MBNUTXGMSMHVRY-PTUMNBPTSA-N",135509220,NA,"PDBC47465","681965","Present",NA,NA
+"47466","NSC681966",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681966",NA,"CC1=CC=C(C=C1)N=NC(=NNC(=O)C2=C(C=CC(=C2)Cl)C(=O)C3=CC=CC=C3)C4=C(C=C(C=C4)N(CCC#N)CCC#N)C","ZLQPWYDRPWCDQZ-PTUMNBPTSA-N",135509221,NA,"PDBC47466","681966","Present",NA,NA
+"47467","NSC681967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681967",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=C(C=CC(=C2)Cl)C(=O)C3=CC=CC=C3)N=NC4=CC=C(C=C4)[N+](=O)[O-]","SCQMCFDGEKDVMK-KOZWOUDQSA-N",135509222,NA,"PDBC47467","681967","Present",NA,NA
+"47468","NSC681969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681969",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=CC=C3","YXSCJIQLOCNIKL-UDRFFECNSA-N",135509223,NA,"PDBC47468","681969","Present",NA,NA
+"47469","NSC681970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681970",NA,"CC1=CC=C(C=C1)N=NC(=NNC(=O)C2=CC=CC=C2)C3=C(C=C(C=C3)N(CCC#N)CCC#N)C","HMZARWJBXATASW-MTHGECESSA-N",135509224,NA,"PDBC47469","681970","Present",NA,NA
+"47470","NSC681971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681971",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)Cl","DQIXTIBFCNYOEP-YKDNHGNVSA-N",135509225,NA,"PDBC47470","681971","Present",NA,NA
+"47471","NSC681972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681972",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)OC","YCACDEIXRLGQNS-MTHGECESSA-N",135509226,NA,"PDBC47471","681972","Present",NA,NA
+"47472","NSC681973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681973",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]","GQHXMIUCYRPUHP-UDRFFECNSA-N",135509227,NA,"PDBC47472","681973","Present",NA,NA
+"47473","NSC681974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC681974",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=NNC(=O)C2=CC=CC=C2)N=NC3=CC=C(C=C3)C(=O)O","CXRMBSIXGHDRIL-YKDNHGNVSA-N",135509228,NA,"PDBC47473","681974","Present",NA,NA
+"47474","NSC682075",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682075",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=CC=C(C=C2)C=CC(=O)C3=CC(=C(C(=C3)CN(C)C)O)CN(C)C.Cl","WJJTYPGEASQIBS-ACJWTMPUSA-N",6519220,NA,"PDBC47474","682075","Present",NA,NA
+"47475","NSC682076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682076",NA,"CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)(C4=CC=C(C=C4)OC5=CC=CC=C5)O.Cl","SSAYTWTXIXYMTA-UHFFFAOYSA-N",387866,NA,"PDBC47475","682076","Present",NA,NA
+"47476","NSC682078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682078",NA,"COC1=CC2=C(CCCN3C2C4=CC(=C(C=C4CC3)OC)OC)C=C1","FUPOWEJAAOWXNE-OAQYLSRUSA-N",6712416,NA,"PDBC47476","682078","Present",NA,NA
+"47477","NSC682135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682135",NA,"C1=CC=C(C=C1)COC2C(C(=O)C(=C2CS(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OCC5=CC=CC=C5","HJHXMWPVNVUTLG-FIRIVFDPSA-N",387903,NA,"PDBC47477","682135","Present",NA,NA
+"47478","NSC682139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682139",NA,"CCOC(=O)C=CC1C(OC(O1)(C)C)C(C2COC(O2)(C)C)O","IRSBSJCQLYNPLV-GTGHIIJUSA-N",5469056,NA,"PDBC47478","682139","Present",NA,NA
+"47479","NSC682140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682140",NA,"C1CC(OC1CO)N2C=CC(=NC2=S)N","AYYMJCVMDRSWJP-UHFFFAOYSA-N",3802334,NA,"PDBC47479","682140","Present",NA,NA
+"47480","NSC682220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682220",NA,"CC1C2C(CC3C2(CCC4C3CCC5C4(C=CC(=O)C5)C)C)OC1(CCC(C)C)O","JMXOLUGCTHVZRO-KIWMTRGLSA-N",387915,NA,"PDBC47480","682220","Present",NA,NA
+"47481","NSC682224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682224",NA,"CC12CCC(=O)OC1CCCCO2","LTPSISACYVXGGL-WPRPVWTQSA-N",387919,NA,"PDBC47481","682224","Present",NA,NA
+"47482","NSC682439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682439",NA,NA,NA,NA,NA,"PDBC47482","682439","Present",NA,NA
+"47483","NSC682440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682440",NA,NA,NA,NA,NA,"PDBC47483","682440","Present",NA,NA
+"47484","NSC682500",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682500",NA,"CC(=O)C1CCC2C(C1C(=O)O)CCC3(C2CCC3O)C","YSPFIJZUVVPAKP-FTXHPODISA-N",388039,NA,"PDBC47484","682500","Present",NA,NA
+"47485","NSC682501",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682501",NA,"CC(=O)C1CCC2C(C1C(=O)O)CCC3(C2CCC3OC(=O)C)C","UZLYHSDCDKJVNO-VMCVRGOBSA-N",388040,NA,"PDBC47485","682501","Present",NA,NA
+"47486","NSC682504",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682504",NA,"CC1=NNC(=O)C2C1CCC3C2CCC4(C3CCC4OC(=O)C)C","KYIYGIWIDMPMQH-SMBDEGBRSA-N",388043,NA,"PDBC47486","682504","Present",NA,NA
+"47487","NSC682511",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682511",NA,"CCN1C(=O)C(=CC=CC=C2C(C3=CC=CC=C3N2C)(C)C)C(=O)N(C1=S)CC","WUJCGRBBISIKPR-URDYEQAASA-N",5469070,NA,"PDBC47487","682511","Present",NA,NA
+"47488","NSC682512",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682512",NA,"CC1(C2=CC=CC=C2N(C1=CC=CC=CC=C3C(=O)C4=CC=CC=C4C3=O)C)C","MGZOKNHCACVLNG-RHMYBJFYSA-N",5469071,NA,"PDBC47488","682512","Present",NA,NA
+"47489","NSC682518",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682518",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3C(=NC(=N4)NC5=CC(=C(C=C5)Cl)Cl)Cl)OC6=CC=C(C=C6)C","RVSLFSNGHXMUIF-UHFFFAOYSA-N",388057,NA,"PDBC47489","682518","Present",NA,NA
+"47490","NSC682519",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682519",NA,"CCCCC1=CC=C(C=C1)NC2=NC3=C(C(=N2)OC)N=CN3C4CC(C(O4)CO)O","OTROSNUIYVJQDG-UHFFFAOYSA-N",388058,NA,"PDBC47490","682519","Present",NA,NA
+"47491","NSC682532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682532",NA,"C1CC(OC1)C2=NC3=CC(=C(C=C3N2)Cl)Cl.Cl","WQRRJDDDAMNQNE-UHFFFAOYSA-N",388067,NA,"PDBC47491","682532","Present",NA,NA
+"47492","NSC682692",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682692",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC(CC3=CC=CC=C3)C(=O)OC)OCCC#N)N=[N+]=[N-]","GQOOHDGGHYGHFS-UWTAPUMBSA-N",5469083,NA,"PDBC47492","682692","Present",NA,NA
+"47493","NSC682694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682694",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC(CC3=CNC4=CC=CC=C43)C(=O)OC)OCCC#N)N=[N+]=[N-]","LAUPZWJCAHDSFU-NQYSYDBVSA-N",388139,NA,"PDBC47493","682694","Present",NA,NA
+"47494","NSC682696",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682696",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC(CC3=CNC4=CC=CC=C43)C(=O)OC)O)N=[N+]=[N-]","XIUIJLHMXJPJKE-JRVPFXOQSA-N",388141,NA,"PDBC47494","682696","Present",NA,NA
+"47495","NSC682697",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682697",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)NC(CC3=CC=CC=C3)C(=O)OC)N=[N+]=[N-]","HTPPGALRIFVVCQ-YSURMTKTSA-N",388142,NA,"PDBC47495","682697","Present",NA,NA
+"47496","NSC682698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682698",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC)N=[N+]=[N-]","YXWIOQXTHBGCGS-JRVPFXOQSA-N",388143,NA,"PDBC47496","682698","Present",NA,NA
+"47497","NSC682699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682699",NA,"CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(NC(CC3=CC=CC=C3)C(=O)OC)O.N","WKCUBTMOKGUQAC-NFYGTXRPSA-N",388144,NA,"PDBC47497","682699","Present",NA,NA
+"47498","NSC682700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682700",NA,"CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(NC(CC3=CNC4=CC=CC=C43)C(=O)OC)O.N","JFAHHUIVDNXFKP-SZSNQCDMSA-N",388146,NA,"PDBC47498","682700","Present",NA,NA
+"47499","NSC682727",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682727",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2NC(=O)C=CC(=O)O)Cl","AKAQPUPIWXZUEM-WAYWQWQTSA-N",5469086,NA,"PDBC47499","682727","Present",NA,NA
+"47500","NSC682756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682756",NA,"C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=C(C=C4)Cl)(C5=CC=C(C=C5)Cl)O","VGJJUMQUBMBUNH-UHFFFAOYSA-N",388188,NA,"PDBC47500","682756","Present",NA,NA
+"47501","NSC682761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682761",NA,"CC1=CC=C(C=C1)C(=O)C2CC3(CCC2(C4=CC=C(C=C4)C)O)CC(=O)NC5=CC=CC=C5C3=O","JRGKQMNVZWSJDM-UHFFFAOYSA-N",388193,NA,"PDBC47501","682761","Present",NA,NA
+"47502","NSC682800",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682800",NA,"CC1=CC=C(C=C1)C2=NOC(=O)C3C2CCCC3","QNBVEHSARSTNSS-CHWSQXEVSA-N",388206,NA,"PDBC47502","682800","Present",NA,NA
+"47503","NSC682801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682801",NA,"CC1=C2C3=C(C(=O)C(CCC3(C2(CCC(C1=O)(C)C)C)C)(C)C)C","TYOPVGKOCFDHBV-FGZHOGPDSA-N",388207,NA,"PDBC47503","682801","Present",NA,NA
+"47504","NSC682806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682806",NA,"CC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","KGHPPTLBPKJSIG-UHFFFAOYSA-N",388212,NA,"PDBC47504","682806","Present",NA,NA
+"47505","NSC682814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682814",NA,"CC1=CN2C=C(N=C2S1)C3=CC=CS3.Br","NQHHMWYBKLLHDC-UHFFFAOYSA-N",388220,NA,"PDBC47505","682814","Present",NA,NA
+"47506","NSC682841",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682841",NA,"CC(C)C(=NOC(=O)NNC1=CC=CC=C1)Cl","BBDIJQDNZWDQJC-XNTDXEJSSA-N",5494354,NA,"PDBC47506","682841","Present",NA,NA
+"47507","NSC682860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682860",NA,"C1C2C(NN=C2C3=CC=CC=C3O1)C4=CC=C(C=C4)Cl","DCRMYJXEUHIEHL-UHFFFAOYSA-N",388249,NA,"PDBC47507","682860","Present",NA,NA
+"47508","NSC682861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682861",NA,"C1C2C(N(N=C2C3=CC=CC=C3O1)C4=CC=CC=C4)C5=CC=C(C=C5)Cl","FMMCIVXQBOSDGP-UHFFFAOYSA-N",388250,NA,"PDBC47508","682861","Present",NA,NA
+"47509","NSC682865",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682865",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC(=NC3=C2CCC4=CC=CC=C43)SC","IYROEKOXFVOEOL-UHFFFAOYSA-N",388254,NA,"PDBC47509","682865","Present",NA,NA
+"47510","NSC682884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682884",NA,"CCOC(=O)CC1C2(CO2)C=CC13OCC(CO3)(C)C","PHZFFRZLZZWSFO-SMDDNHRTSA-N",388270,NA,"PDBC47510","682884","Present",NA,NA
+"47511","NSC682922",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682922",NA,"C1CN(CCN1C2=CC=CC=N2)C(=O)C=CC3=CC4=CC=CC=C4O3.Cl","FFGMVWDKEZQJQX-HRNDJLQDSA-N",5469091,NA,"PDBC47511","682922","Present",NA,NA
+"47512","NSC683045",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683045",NA,"COC(=C(C#N)N=CC1=CN=CC=C1)N","HABHUFSXUAWZCH-ZFOSTORSSA-N",5469095,NA,"PDBC47512","683045","Present",NA,NA
+"47513","NSC683138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683138",NA,"CC1CC(=O)C=CN1C(=O)N2C(COC2C(C)(C)C)C(=O)OC","AXNJPJZVPXQIML-SUHUHFCYSA-N",388344,NA,"PDBC47513","683138","Present",NA,NA
+"47514","NSC683139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683139",NA,"CC1CC(=O)C=CN1C(=O)N2C(COC2C(C)(C)C)C(=O)OC","AXNJPJZVPXQIML-SCDSUCTJSA-N",388345,NA,"PDBC47514","683139","Present",NA,NA
+"47515","NSC683140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683140",NA,"C1=CC(=C2C(=C1NCCNC(=O)C(C(C(C(CO)O)O)O)O)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNC(=O)C(C(C(C(CO)O)O)O)O","KAXJXWCDNNTGRB-UHFFFAOYSA-N",438894,NA,"PDBC47515","683140","Present",NA,NA
+"47516","NSC683248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683248",NA,"C[N+](C)(CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4C2=O)CC5=CC=C(C=C5)[N+](=O)[O-].[Cl-]","CUEMSBGZUXAPTR-UHFFFAOYSA-O",438895,NA,"PDBC47516","683248","Present",NA,NA
+"47517","NSC683261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683261",NA,"C1=CC(=CC(=C1)C(=O)NC2=CC(=CC(=C2)C(=O)NC3=CC(=CC=C3)S(=O)(=O)O)C(=O)NC4=CC(=CC=C4)S(=O)(=O)O)C(=O)NC5=CC(=CC(=C5)C(=O)NC6=CC(=CC=C6)S(=O)(=O)O)C(=O)NC7=CC(=CC=C7)S(=O)(=O)O.[Na+]","CUXAZGUGJRTHOS-UHFFFAOYSA-N",54608486,NA,"PDBC47517","683261","Present",NA,NA
+"47518","NSC683265",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683265",NA,"C1=CC=C2C(=C1)C(=CC=N2)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","OGGMHRFNXWREOT-UHFFFAOYSA-N",54608756,NA,"PDBC47518","683265","Present",NA,NA
+"47519","NSC683266",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683266",NA,"CC1=NC2=CC=CC=C2C(=C1)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","IAMZDFFJVDDKIO-UHFFFAOYSA-N",54608487,NA,"PDBC47519","683266","Present",NA,NA
+"47520","NSC683270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683270",NA,"C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O)N)S(=O)(=O)O.[Na+]","BCURRQHFRPOIQP-UHFFFAOYSA-N",54612578,NA,"PDBC47520","683270","Present",NA,NA
+"47521","NSC683271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683271",NA,"C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)NC(CC3=CC=C(C=C3)S(=O)(=O)O)C(=O)O)N)S(=O)(=O)O.[Na+]","AEFDHQNDUVIOAI-UHFFFAOYSA-N",54608488,NA,"PDBC47521","683271","Present",NA,NA
+"47522","NSC683272",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683272",NA,"C1=CC(=CC=C1CC(C(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)NC(CC3=CC=C(C=C3)S(=O)(=O)O)C(=O)NC(CC4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)N)S(=O)(=O)O.[Na+]","XNROUCBSYLCFGD-UHFFFAOYSA-N",54608492,NA,"PDBC47522","683272","Present",NA,NA
+"47523","NSC683273",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683273",NA,"C1=CC(=C2C=C(C=C(C2=C1NC(=O)CN)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","YWFBOJDSGYPLML-UHFFFAOYSA-N",54608856,NA,"PDBC47523","683273","Present",NA,NA
+"47524","NSC683274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683274",NA,"C1=CC=C2C(=C1)C(=CC=N2)NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O.[Na+]","PHOHBTKYAZVNFV-UHFFFAOYSA-N",54608493,NA,"PDBC47524","683274","Present",NA,NA
+"47525","NSC683276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683276",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)NC(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)CP(=O)(O)O)C.[Na+]","XGQKLAHNBVNQFY-UHFFFAOYSA-N",54608494,NA,"PDBC47525","683276","Present",NA,NA
+"47526","NSC683278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683278",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)CP(=O)(O)O)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=C(C=C6)CP(=O)(O)O)C.[Na+]","RGEAVKCUAZINTD-UHFFFAOYSA-N",54608490,NA,"PDBC47526","683278","Present",NA,NA
+"47527","NSC683282",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683282",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)CP(=O)(O)O)CP(=O)(O)O)NC(=O)C3=CC(=CC=C3)NC(=O)NC4=CC=CC(=C4)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C(C=C(C=C6)CP(=O)(O)O)CP(=O)(O)O)C.[Na+]","CGGCGOYPNXHKRT-UHFFFAOYSA-N",54608495,NA,"PDBC47527","683282","Present",NA,NA
+"47528","NSC683283",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683283",NA,"C1=CC(=CC=C1CC(C(=O)NC(CCCCNC(=O)NCCCCC(C(=O)NC(CC2=CC=C(C=C2)S(=O)(=O)O)C(=O)O)NC(=O)C(CC3=CC=C(C=C3)S(=O)(=O)O)N)C(=O)NC(CC4=CC=C(C=C4)S(=O)(=O)O)C(=O)O)N)S(=O)(=O)O.[Na+]","HLJUGILXVTWSEF-UHFFFAOYSA-N",54608696,NA,"PDBC47528","683283","Present",NA,NA
+"47529","NSC683284",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683284",NA,"CC1=NC2=C(C=CC(=C2C(=C1)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)OC)OC.[Na+]","MGQLUKHCAPJWAK-UHFFFAOYSA-N",54608496,NA,"PDBC47529","683284","Present",NA,NA
+"47530","NSC683285",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683285",NA,"CC1=CC(=C2C(=C(C=C(C2=N1)OC)[N+](=O)[O-])OC)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","AOZZQBPKLMWCRR-UHFFFAOYSA-N",54608491,NA,"PDBC47530","683285","Present",NA,NA
+"47531","NSC683286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683286",NA,"CC1=NNC(=O)N1N=CCCC=NN2C(=NNC2=O)C","DHEPEEHQCNITBU-CBIKUMSCSA-N",5787014,NA,"PDBC47531","683286","Present",NA,NA
+"47532","NSC683287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683287",NA,"C1=CC=C(C=C1)CC2=NNC(=O)N2N=CCCC=NN3C(=NNC3=O)CC4=CC=CC=C4","RJYXGXIBBTUJFI-GACBQCINSA-N",6077747,NA,"PDBC47532","683287","Present",NA,NA
+"47533","NSC683288",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683288",NA,"CC1=CC=C(C=C1)CC2=NNC(=O)N2N=CCCC=NN3C(=NNC3=O)CC4=CC=C(C=C4)C","BGKNUNBIVVPPQA-WFBNZKAHSA-N",5906992,NA,"PDBC47533","683288","Present",NA,NA
+"47534","NSC683289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683289",NA,"C1=CC(=CC=C1CC2=NNC(=O)N2N=CCCC=NN3C(=NNC3=O)CC4=CC=C(C=C4)Cl)Cl","LYDYHYVCXLUSEP-RSKRUZOQSA-N",5920651,NA,"PDBC47534","683289","Present",NA,NA
+"47535","NSC683291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683291",NA,"CC(C)(C)OC(=O)NN=C(CC1=CC=CC=C1)N","OFHSGIRZKLLPRM-UHFFFAOYSA-N",5466273,NA,"PDBC47535","683291","Present",NA,NA
+"47536","NSC683292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683292",NA,"CC(C)(C)OC(=O)NN=C(C1=CC=CC=C1)N","UUWHNGLXDSXTLN-UHFFFAOYSA-N",5466274,NA,"PDBC47536","683292","Present",NA,NA
+"47537","NSC683322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683322",NA,"CCC(C(C)C=C1SCCCS1)O","IHGNLDJEGQWIOK-BDAKNGLRSA-N",388414,NA,"PDBC47537","683322","Present",NA,NA
+"47538","NSC683323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683323",NA,"CCCCCC(C(C)C=C1SCCCS1)O","DUKKPKIZMOMICQ-NEPJUHHUSA-N",388415,NA,"PDBC47538","683323","Present",NA,NA
+"47539","NSC683329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683329",NA,"CSC1=NC(=O)N(C=C1)C2CC(C(O2)CO)F","QZUVUIPORGHWFO-UHFFFAOYSA-N",388421,NA,"PDBC47539","683329","Present",NA,NA
+"47540","NSC683338",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683338",NA,"CC1(C(NC(S1)CN)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)C","VJDBJGIOWKYECA-AEFFLSMTSA-N",388429,NA,"PDBC47540","683338","Present",NA,NA
+"47541","NSC683367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683367",NA,"C1OC(C(C(C(O1)CN2C(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4)O)O)CN5C(=C(N=N5)C6=CC=CC=C6)C7=CC=CC=C7","MSIKSINGMASXGM-RVOFTLIFSA-N",388441,NA,"PDBC47541","683367","Present",NA,NA
+"47542","NSC683426",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683426",NA,NA,NA,NA,NA,"PDBC47542","683426","Present",NA,NA
+"47543","NSC683427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683427",NA,NA,NA,NA,NA,"PDBC47543","683427","Present",NA,NA
+"47544","NSC683433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683433",NA,"CC(C)(C#CC1=CCN(CC1)C)O.C(=O)(C(=O)O)O","KPDXSLWWIZQVKB-UHFFFAOYSA-N",388477,NA,"PDBC47544","683433","Present",NA,NA
+"47545","NSC683437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683437",NA,"CCCN(CCC)CCC1=CC=C(C=C1)OC2=CCN(CC2)C.C(=O)(C(=O)O)O","QSFMVXSCEVXTAJ-UHFFFAOYSA-N",388481,NA,"PDBC47545","683437","Present",NA,NA
+"47546","NSC683438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683438",NA,"CN1CCC(=CC1)C2=CC=CN2C.C(=O)(C(=O)O)O","KZKSZWIUJGFVHW-UHFFFAOYSA-N",388483,NA,"PDBC47546","683438","Present",NA,NA
+"47547","NSC683496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683496",NA,"CCOC(=O)CN=C1C2CSCN2C(=O)C3=CC=CC=C3N1.Cl","RNLCDKNSWPSCPX-UHFFFAOYSA-N",135450446,NA,"PDBC47547","683496","Present",NA,NA
+"47548","NSC683513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683513",NA,"CC1=C(SC2=C1C(=NO)C3=CC=CN32)C","YYUGVXBVYQBTQG-BENRWUELSA-N",5466278,NA,"PDBC47548","683513","Present",NA,NA
+"47549","NSC683514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683514",NA,"C[N+]12C=CC=C1C(C3=C2C=C(S3)C4=CC=C(C=C4)Cl)N5CCCC5.[I-]","ZVBSUVUVNPTQIR-UHFFFAOYSA-M",388530,NA,"PDBC47549","683514","Present",NA,NA
+"47550","NSC683515",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683515",NA,"C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=CC=C4)N5CCCC5.[I-]","RMMLSJGASAMVTE-UHFFFAOYSA-M",388532,NA,"PDBC47550","683515","Present",NA,NA
+"47551","NSC683516",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683516",NA,"C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=C(C=C4)F)N5CCCC5.[I-]","NPBGGQGNKSCMTE-UHFFFAOYSA-M",388534,NA,"PDBC47551","683516","Present",NA,NA
+"47552","NSC683518",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683518",NA,"C[N+]12C=CC=C1C(C3=C2C(=CS3)C4=CC=C(C=C4)OC)N5CCCC5.[I-]","LABISLJYDABEKZ-UHFFFAOYSA-M",388538,NA,"PDBC47552","683518","Present",NA,NA
+"47553","NSC683555",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683555",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=C(C=C6)NC7C8COC(=O)C8C(C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O","QPEJOQWVBDJCKB-NNFSRNKVSA-N",388554,NA,"PDBC47553","683555","Present",NA,NA
+"47554","NSC683556",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683556",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=C(C=C6)NC7C8COC(=O)C8C(C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O.Cl","HGDZRHFBGBJBPK-NLSYGQMZSA-N",388555,NA,"PDBC47554","683556","Present",NA,NA
+"47555","NSC683557",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683557",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=CC=C6NC7C8COC(=O)C8C(C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O","MUPKVSTUEPDRJK-UINMZKSFSA-N",388556,NA,"PDBC47555","683557","Present",NA,NA
+"47556","NSC683558",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683558",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)C=NC6=CC=CC=C6NC7C8COC(=O)C8C(C9=CC1=C(C=C79)OCO1)C1=CC(=C(C(=C1)OC)O)OC)O.Cl","IGQDFHASVXHFOP-ULLBRXORSA-N",388557,NA,"PDBC47556","683558","Present",NA,NA
+"47557","NSC683561",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683561",NA,"COC(=C(C#N)N=CC1=CC=CO1)N","LYHOYWOJZSKHEO-XHZBUCITSA-N",5469129,NA,"PDBC47557","683561","Present",NA,NA
+"47558","NSC683564",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683564",NA,"COC(=O)C=CC(C#N)(C#N)N=CC1=CSC=C1","WYTYPKMIHOQZKL-HOGGMAPHSA-N",5469130,NA,"PDBC47558","683564","Present",NA,NA
+"47559","NSC683565",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683565",NA,"C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C(NC3C4=CSC=C4)(C#N)C#N","HKMRFGILPPETFM-KKUMJFAQSA-N",388562,NA,"PDBC47559","683565","Present",NA,NA
+"47560","NSC683566",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683566",NA,"COC(=C(C#N)N=CC1=CC2=CC=CC=C2C=C1)N","JYYWFKHHKHRYDY-YTTHWRMNSA-N",5469131,NA,"PDBC47560","683566","Present",NA,NA
+"47561","NSC683585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683585",NA,"CC(C(=O)NC(C)(CC1=CC=CC=C1)C(=O)OC)N2C(COC2(C)C)C3=CC=CC=C3","ZZTJJTIIGLOMRH-JYMRHQFYSA-N",388574,NA,"PDBC47561","683585","Present",NA,NA
+"47562","NSC683586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683586",NA,"CC(C(=O)N(C)C(C)C(=O)OC)N1C(COC1(C)C)C2=CC=CC=C2","PNGBHCLSZOONKR-OFQRWUPVSA-N",388575,NA,"PDBC47562","683586","Present",NA,NA
+"47563","NSC683587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683587",NA,"CCCCCCCCCCCCCC=CC1C(N1S(=O)C2=CC=C(C=C2)C)C(=O)OC","AZKUUQNZEQUQCQ-QAIYWERISA-N",5469132,NA,"PDBC47563","683587","Present",NA,NA
+"47564","NSC683595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683595",NA,"CC1=CC=C(C=C1)N2C(=O)C(=NN2)C(=O)N.[Na+]","UCHQMEFCVZYJIM-UHFFFAOYSA-N",54608700,NA,"PDBC47564","683595","Present",NA,NA
+"47565","NSC683601",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683601",NA,"CCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=NN2)C(=O)N.[Na+]","RTEBHHIWDCRMDK-UHFFFAOYSA-N",54608949,NA,"PDBC47565","683601","Present",NA,NA
+"47566","NSC683602",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683602",NA,"CCOC(=O)C1=C(SN=N1)NN=CC2=CC=C(C=C2)[N+](=O)[O-]","HPUIJTIVXCAMAW-QPEQYQDCSA-N",5931749,NA,"PDBC47566","683602","Present",NA,NA
+"47567","NSC683605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683605",NA,"C1=CC=C(C=C1)NC(=O)C(=NNC2=C(NC=N2)C(=O)N)C#N","CUILYSNMBGFHOC-OCKHKDLRSA-N",5466279,NA,"PDBC47567","683605","Present",NA,NA
+"47568","NSC683608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683608",NA,"CC1=CC=CC=C1NC(=O)C(=NNC2=C(NC=N2)C(=O)N)C#N","VQVAMGLVGZTTQM-JMIUGGIZSA-N",5466280,NA,"PDBC47568","683608","Present",NA,NA
+"47569","NSC683610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683610",NA,"C1COCCN1C2=NN(C(=N)S2)CC(=O)C3=CC=CC=C3.Br","BUBNKUDQKPJRNV-UHFFFAOYSA-N",388601,NA,"PDBC47569","683610","Present",NA,NA
+"47570","NSC683620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683620",NA,"CC(C1=CC(=C(C=C1N=NN(C)C)OC)OC)C2=[N+](C=CC3=CC(=C(C=C32)OC)OC)C.I.[I-]","WJSAAKJSMVXGAI-UHFFFAOYSA-M",388612,NA,"PDBC47570","683620","Present",NA,NA
+"47571","NSC683630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683630",NA,"CN(C)CCC1=CC=NC2=NC(=CN12)C3=CC4=CC=CC=C4C=C3.I","BHDUIBHHIRNWEK-UHFFFAOYSA-N",388619,NA,"PDBC47571","683630","Present",NA,NA
+"47572","NSC683631",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683631",NA,"CN(C)CCNC1=NC=NC2=C1N=C(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4.Br","RDMIUXRTFVATGS-UHFFFAOYSA-N",388621,NA,"PDBC47572","683631","Present",NA,NA
+"47573","NSC683632",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683632",NA,"CN(C)CCNC1=NC=NC2=C1NC(=N2)C3=CC4=CC=CC=C4C=C3.Cl","DVMURPDGGRWDGD-UHFFFAOYSA-N",22210545,NA,"PDBC47573","683632","Present",NA,NA
+"47574","NSC683633",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683633",NA,"CN(C)CCNC1=NC(=NC2=C1NC=N2)C3=CC4=CC=CC=C4C=C3.Br","LDMRKDLVRADKSF-UHFFFAOYSA-N",22210546,NA,"PDBC47574","683633","Present",NA,NA
+"47575","NSC683661",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683661",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CN)OC.Cl","ACZTVMPOXSEJFR-OKQVZOFKSA-N",5469145,NA,"PDBC47575","683661","Present",NA,NA
+"47576","NSC683662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683662",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CN(C)C)OC.Cl","VEUZXALJQPZYNZ-VWIAEACDSA-N",5469147,NA,"PDBC47576","683662","Present",NA,NA
+"47577","NSC683664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683664",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCN(C)C)OC.Cl","UTAHCXVRTQCBGT-YTDVBHLFSA-N",5469151,NA,"PDBC47577","683664","Present",NA,NA
+"47578","NSC683683",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683683",NA,"CN(C)CCNC1=C2C(=C(C=C1)NCC[N+](C)(C)CC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C2=O)O)O.[Cl-]","ZYRNKXCLGJPZJH-UHFFFAOYSA-N",388666,NA,"PDBC47578","683683","Present",NA,NA
+"47579","NSC683699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683699",NA,"CC1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4F)F","BMTBMJVTNBYPOB-JDNHERCYSA-N",469798,NA,"PDBC47579","683699","Present",NA,NA
+"47580","NSC683758",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683758",NA,"CN1C(=O)C(=CC2=CC=C(C=C2)S(=O)(=O)NN=CC(C(C(CO)O)O)O)NC1=O","HTTHJURVFGZQDY-OIPSUNMISA-N",5914329,NA,"PDBC47580","683758","Present",NA,NA
+"47581","NSC683763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683763",NA,"CC(=O)N(N=CC(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N2","PTKZKUXFGJMTHX-MVQBFVJLSA-N",6054374,NA,"PDBC47581","683763","Present",NA,NA
+"47582","NSC683826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683826",NA,"CCN(CC)CCC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)C.Cl","FJAMGHVXJZAIEC-UHFFFAOYSA-N",388741,NA,"PDBC47582","683826","Present",NA,NA
+"47583","NSC683827",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683827",NA,"CCN(CC)CCC(=O)C1=CC=C(C=C1)OC2=CC=CC=C2.Cl","BGUZTROWQHMNPK-UHFFFAOYSA-N",388743,NA,"PDBC47583","683827","Present",NA,NA
+"47584","NSC683828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683828",NA,"CCN(CC)CCC(=O)C1=CC=C(C=C1)OC2=CC=C(C=C2)F.Cl","JLTNKJMJXSUOQT-UHFFFAOYSA-N",388745,NA,"PDBC47584","683828","Present",NA,NA
+"47585","NSC683829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683829",NA,"CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F)(C4=CC=C(C=C4)OC5=CC=C(C=C5)F)O.Cl","HUOQGQMONKVLEF-UHFFFAOYSA-N",388747,NA,"PDBC47585","683829","Present",NA,NA
+"47586","NSC683830",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683830",NA,"CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl)(C4=CC=C(C=C4)OC5=CC=C(C=C5)Cl)O.Cl","MFQMBCSCUXFMEU-UHFFFAOYSA-N",388749,NA,"PDBC47586","683830","Present",NA,NA
+"47587","NSC683831",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683831",NA,"CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C)(C4=CC=C(C=C4)OC5=CC=C(C=C5)C)O.Cl","AXYVGEITWULTOE-UHFFFAOYSA-N",388751,NA,"PDBC47587","683831","Present",NA,NA
+"47588","NSC683832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683832",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C(=O)C=CC2=C(C=CC=C2Cl)F.Cl","GEAUBJCTZQJYAV-HRNDJLQDSA-N",6519308,NA,"PDBC47588","683832","Present",NA,NA
+"47589","NSC683834",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683834",NA,"CN(C)CC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)CN(C)C)C2=O)O","UJECSONHGKGSEE-FDYZEBBJSA-N",6067712,NA,"PDBC47589","683834","Present",NA,NA
+"47590","NSC683844",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683844",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)C3C(NC(=O)O3)C(=O)O","OZQKCVAKLCDLFD-LSDHHAIUSA-N",388766,NA,"PDBC47590","683844","Present",NA,NA
+"47591","NSC683849",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683849",NA,"CCOC(=O)NCC(=O)NCC(=O)NCC(=O)N.Cl","ICANIKNVMOAEJO-UHFFFAOYSA-N",388771,NA,"PDBC47591","683849","Present",NA,NA
+"47592","NSC683852",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683852",NA,"C(CCNCCCNC(=O)C(F)(F)F)CNCCCNC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O","ACEVALSGCBCVGI-UHFFFAOYSA-N",388775,NA,"PDBC47592","683852","Present",NA,NA
+"47593","NSC683855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683855",NA,"COC1=C2C=C(CC(NC(=O)CCO2)C(=O)OC)C=C1","NBJNOZIJVXJDDN-JTQLQIEISA-N",388780,NA,"PDBC47593","683855","Present",NA,NA
+"47594","NSC683859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683859",NA,"CC1(OC2CN3C4=CC=CC=C4C(=C3C2O1)C(=O)OC)C","WZRKQZFGNDPESZ-BXUZGUMPSA-N",388782,NA,"PDBC47594","683859","Present",NA,NA
+"47595","NSC683860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683860",NA,"CC1CCC(C(C1)OC(=O)C2=C3C4C(CN3C5=CC=CC=C52)OC(O4)(C)C)C(C)C","GUQHSHGDGQDAHV-NCRVWVENSA-N",388783,NA,"PDBC47595","683860","Present",NA,NA
+"47596","NSC683878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683878",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)O)C6=CC(=C(C(=C6)Cl)O)C(=O)O)C)C.C1CCN(C1)CCO","WCSPJNGLPRUHOY-BZPPLKHNSA-N",6712426,NA,"PDBC47596","683878","Present",NA,NA
+"47597","NSC683883",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683883",NA,"CC1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4Cl)F","ANWLALHSVVQOAU-XXFAHNHDSA-N",5469179,NA,"PDBC47597","683883","Present",NA,NA
+"47598","NSC683887",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683887",NA,"CC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3NC(C2)C4=CC=CC=C4)N)N.CC(=O)O","NZPSADXHWJIOAK-UHFFFAOYSA-N",388800,NA,"PDBC47598","683887","Present",NA,NA
+"47599","NSC683896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683896",NA,"CC(C(=O)OCC1=CC=CC=C1)NC(=O)CNC(=O)CCCCCC(=O)NCC(=O)NC(C)C(=O)OCC2=CC=CC=C2","QNAWWPGUQFSBNO-GOTSBHOMSA-N",5469181,NA,"PDBC47599","683896","Present",NA,NA
+"47600","NSC683897",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683897",NA,"CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3O2)C(=O)NCC(=O)NC(C)C(=O)OCC4=CC=CC=C4)C)C(=O)NCC(=O)NC(C)C(=O)OCC5=CC=CC=C5","LJEAPZNWZANDGV-UIOOFZCWSA-N",5469182,NA,"PDBC47600","683897","Present",NA,NA
+"47601","NSC683898",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683898",NA,"CC1=CC(=C2C(=C1)SC3=CC(=CC(=C3O2)C(=O)NCCC(=O)NC(C)C(=O)OCC4=CC=CC=C4)C)C(=O)NCCC(=O)NC(C)C(=O)OCC5=CC=CC=C5","KCXYTUFGMQVUNL-NSOVKSMOSA-N",5469183,NA,"PDBC47601","683898","Present",NA,NA
+"47602","NSC684068",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684068",NA,"CC(C)(C)OC(=O)NN=C(CC1=CC=C(C=C1)Cl)N","LNCQFLSZOPKRQA-UHFFFAOYSA-N",5466299,NA,"PDBC47602","684068","Present",NA,NA
+"47603","NSC684107",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684107",NA,"CN1CCN(CC1)CC2=NC3=C(S2)CCC4=C3C=CS4.Cl","PLZMGPICSOOGTF-UHFFFAOYSA-N",388879,NA,"PDBC47603","684107","Present",NA,NA
+"47604","NSC684108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684108",NA,"CN1CCN(CC1)CC2=NC3=C(S2)CCC4=C3C=CC=C4OC.Cl","JEOKEFWRVGJNSS-UHFFFAOYSA-N",388881,NA,"PDBC47604","684108","Present",NA,NA
+"47605","NSC684109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684109",NA,"C1CSC2=NC(=C(N21)C=CC3=CC=CS3)Cl.Br","ACMNEXKXBAAKIK-BJILWQEISA-N",5469191,NA,"PDBC47605","684109","Present",NA,NA
+"47606","NSC684115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684115",NA,"CC1(CC(=NO1)Cl)C(C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O","GYDATEDCZIIRPF-ZRKZCGFPSA-N",388890,NA,"PDBC47606","684115","Present",NA,NA
+"47607","NSC684132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684132",NA,"CCOC(=O)C(C)OC(=O)C(C)(C1NC=C(CS1)C(=O)OC)NC(=O)C2=CC=CC=C2C(=O)OC","AFCIIWFPMLTTET-DFTDMARZSA-N",6712427,NA,"PDBC47607","684132","Present",NA,NA
+"47608","NSC684370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684370",NA,NA,NA,NA,NA,"PDBC47608","684370","Present",NA,NA
+"47609","NSC684371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684371",NA,NA,NA,NA,NA,"PDBC47609","684371","Present",NA,NA
+"47610","NSC684377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684377",NA,"COC1=CC=C(C=C1)C=C2C(=NC(=S)N2)Cl","PRIAZYIIVNBCSB-RMKNXTFCSA-N",6367575,NA,"PDBC47610","684377","Present",NA,NA
+"47611","NSC684380",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684380",NA,"CC1=CC=C(C=C1)NC2=NC(=CC3=CC=CO3)C(=N2)Cl","BIEOHWXHMPKPMX-UKTHLTGXSA-N",20835540,NA,"PDBC47611","684380","Present",NA,NA
+"47612","NSC684392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684392",NA,"C1COCCN1C2=C(N3C(=O)C(=CC4=CC=CC=C4O)NC3=NC2=O)N","WCUNVPFYZXHEFG-LUAWRHEFSA-N",5922892,NA,"PDBC47612","684392","Present",NA,NA
+"47613","NSC684395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684395",NA,"C1CCN(CC1)C2=C(N3C(=O)C(=CC4=CC=CO4)NC3=NC2=O)N","WOJSGOACTWCHSJ-LUAWRHEFSA-N",5935694,NA,"PDBC47613","684395","Present",NA,NA
+"47614","NSC684396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684396",NA,"C1=CC=C(C=C1)C=C2C(=NC(=NCCCO)N2)Cl","AYKHIEWSUOZKHS-PKNBQFBNSA-N",135505116,NA,"PDBC47614","684396","Present",NA,NA
+"47615","NSC684398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684398",NA,"CCOC=NC1=C(SC2=NC(=CC3=CC=C(C=C3)OC)C(=O)N12)C#N","QWXSUNLIDKDWMQ-QDRMOUQYSA-N",6286946,NA,"PDBC47615","684398","Present",NA,NA
+"47616","NSC684402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684402",NA,"C1=COC(=C1)C=C2C(=O)N3C4=C(C(=O)NC=N4)SC3=N2","NJCSCEGXDHAARQ-DAXSKMNVSA-N",135505117,NA,"PDBC47616","684402","Present",NA,NA
+"47617","NSC684403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684403",NA,"C1=COC(=C1)C=C2C(=NC(=N2)NN)Cl","ODTQWDDTNYYUGU-XQRVVYSFSA-N",6519325,NA,"PDBC47617","684403","Present",NA,NA
+"47618","NSC684445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684445",NA,"C1CCN(C(C1)CO)CC2=NC3=C(N2)C=C(C=C3)Cl.Cl","KTXGRSJZLIKOBO-UHFFFAOYSA-N",389006,NA,"PDBC47618","684445","Present",NA,NA
+"47619","NSC684448",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684448",NA,"CC12C3CC4(C3C(=O)N1C(CO2)C5=CC=CC=C5)SCCS4","HRUYNPWKJWIJIR-GKDOYEIJSA-N",389010,NA,"PDBC47619","684448","Present",NA,NA
+"47620","NSC684587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684587",NA,"CC(=NO)C1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","WNXDHQOVUHWKNN-YSURURNPSA-N",5466307,NA,"PDBC47620","684587","Present",NA,NA
+"47621","NSC684694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684694",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(NC(CC3=CC=CC=C3)C(=O)OC)O)N=[N+]=[N-].N","WXKMGLSRTKSAID-KHPDZDGVSA-N",389054,NA,"PDBC47621","684694","Present",NA,NA
+"47622","NSC684699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684699",NA,"CC1=CC=C(C=C1)C=CC(=O)C2=C(ON=[N+]2C3=CC=CC=C3)[O-]","FDOOEFSONRUFMB-VAWYXSNFSA-N",5469236,NA,"PDBC47622","684699","Present",NA,NA
+"47623","NSC684700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684700",NA,"C1=CC=C(C=C1)[N+]2=NOC(=C2C(=O)C=CC3=CC=C(C=C3)C(F)(F)F)[O-]","DDNPZBPYIXQWJA-DHZHZOJOSA-N",5469238,NA,"PDBC47623","684700","Present",NA,NA
+"47624","NSC684708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684708",NA,"CC1=CC(=CC(=C1C=CC(=O)N2C(COC2=O)C3=CC=CC=C3)C)OC","QZKOTPLNHNGSPW-JBVUFVISSA-N",5469244,NA,"PDBC47624","684708","Present",NA,NA
+"47625","NSC684709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684709",NA,"CC=CC(=O)N1C(COC1=O)C2=CC=CC=C2","DCVIMWRFFDRWJM-SZHMKSFOSA-N",5469245,NA,"PDBC47625","684709","Present",NA,NA
+"47626","NSC684714",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684714",NA,"CCN1C2=C(C=CC(=C2)Cl)SC1=CC#CC(=CC3=[N+](C4=C(S3)C=CC(=C4)Cl)CC)C.[I-]","DURWKAOGNKODAC-UHFFFAOYSA-M",5469246,NA,"PDBC47626","684714","Present",NA,NA
+"47627","NSC684751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684751",NA,"CCOC(=O)C1(CC(C(=O)N1C)O)C","AZBHNAFMWGXTMQ-IOJJLOCKSA-N",389092,NA,"PDBC47627","684751","Present",NA,NA
+"47628","NSC684753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684753",NA,"CN1C(CC(C1=O)O)C2=CC=C(C=C2)F","BBVGEIFNTZBCIB-YHMJZVADSA-N",389094,NA,"PDBC47628","684753","Present",NA,NA
+"47629","NSC684829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684829",NA,"C1C2CC3CC1CC(C2)(C3)[P+](CO)(CO)CO.[Cl-]","NKBZBQPQAFPKJW-UHFFFAOYSA-M",389144,NA,"PDBC47629","684829","Present",NA,NA
+"47630","NSC684969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684969",NA,"COC1=CC=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3C(=O)N2","SRNGRTQASASQIG-JLHYYAGUSA-N",135454458,NA,"PDBC47630","684969","Present",NA,NA
+"47631","NSC685110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685110",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=CC=CC2=CC=CC=C2)C(=O)C(C)(C)C","FHBNMFSRMYLHFF-HGZPKWKRSA-N",5469264,NA,"PDBC47631","685110","Present",NA,NA
+"47632","NSC685115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685115",NA,"CCOC(=O)C1(CCCN1C(=O)C(CNC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2)C(=O)OCC","GIRJVKVQEKAXEQ-IBGZPJMESA-N",389295,NA,"PDBC47632","685115","Present",NA,NA
+"47633","NSC685122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685122",NA,NA,NA,NA,NA,"PDBC47633","685122","Present",NA,NA
+"47634","NSC685123",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685123",NA,NA,NA,NA,NA,"PDBC47634","685123","Present",NA,NA
+"47635","NSC685185",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685185",NA,"CC1=CN(C(=O)N(C1=O)C)C2C(C(=CC(=O)OC)C(O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","SJIASRYBWDNGHN-NBVRZTHBSA-N",5469270,NA,"PDBC47635","685185","Present",NA,NA
+"47636","NSC685189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685189",NA,"CC1=CN(C(=O)NC1=O)C2C(C(=CC#N)C(O2)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","SQJCSVASMHMSKO-SFQUDFHCSA-N",5469272,NA,"PDBC47636","685189","Present",NA,NA
+"47637","NSC685232",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685232",NA,"CC1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=CC=C3O","XUQJUCVDMIHNCH-YVLHZVERSA-N",135505118,NA,"PDBC47637","685232","Present",NA,NA
+"47638","NSC685233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685233",NA,"CC1=CC=C(C=C1)C2=NNC(=O)N2N=CC3=CC=C(C=C3)[N+](=O)[O-]","VWEUESNEPMAXPJ-YVLHZVERSA-N",5916746,NA,"PDBC47638","685233","Present",NA,NA
+"47639","NSC685262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685262",NA,"C1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=CC=C3","NSMAKNFNLHJIIE-YGPCBGHTSA-N",135505119,NA,"PDBC47639","685262","Present",NA,NA
+"47640","NSC685263",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685263",NA,"CC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC3=CC=CC=C3","KEHWABRYEMPSBL-DPYYQBSUSA-N",135505120,NA,"PDBC47640","685263","Present",NA,NA
+"47641","NSC685264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685264",NA,"C1=CC=C(C=C1)C=NNC2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2","IZZSDRJFMVPELL-LGDLHNLVSA-N",135505121,NA,"PDBC47641","685264","Present",NA,NA
+"47642","NSC685271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685271",NA,"COC1=CC=C(C=C1)C=C2C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","SOIJVVDWZTZYGW-WLCSGIKUSA-N",135505126,NA,"PDBC47642","685271","Present",NA,NA
+"47643","NSC685287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685287",NA,"CC(=NN=CC1=CC=CC=N1)C(=NN=CC2=CC=CC=N2)C","XRSBWJAPULDRFC-ACVQJTFVSA-N",9572005,NA,"PDBC47643","685287","Present",NA,NA
+"47644","NSC685288",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685288",NA,"CC(=NN=CC1=CC=CC=N1)C(=NN=C(C)C(=NN=CC2=CC=CC=N2)C)C","WMDWVILUYYTFPS-MACSXGQBSA-N",9572006,NA,"PDBC47644","685288","Present",NA,NA
+"47645","NSC685289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685289",NA,"CC(=NN=CC1=CC=CC=N1)C(=NN=C(C)C(=NN=C(C)C(=NN=CC2=CC=CC=N2)C)C)C","DBXFSIOIXQXIQP-DFLDNLKISA-N",9572007,NA,"PDBC47645","685289","Present",NA,NA
+"47646","NSC685290",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685290",NA,"CC(=NN=CC1=CC=CC=N1)C(=NN=C(C)C(=NN=C(C)C(=NN=C(C)C(=NN=CC2=CC=CC=N2)C)C)C)C","SYJMRYKKVYTRPI-GQLIGBBESA-N",9572008,NA,"PDBC47646","685290","Present",NA,NA
+"47647","NSC685291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685291",NA,"CC(=NN)C(=NN=C(C)C(=NN)C)C","HHYHTXIRMGYIGZ-JRXATRHQSA-N",5466320,NA,"PDBC47647","685291","Present",NA,NA
+"47648","NSC685292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685292",NA,"CC(=NN)C(=NN=C(C)C(=NN=C(C)C(=NN)C)C)C","PXLFHHWLMMHRSA-OBCBRKHSSA-N",5466321,NA,"PDBC47648","685292","Present",NA,NA
+"47649","NSC685293",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685293",NA,"CC(=NN)C(=NN=C(C)C(=NN=C(C)C(=NN=C(C)C(=NN)C)C)C)C","GHPCVUWIQLXMNZ-NVIGLPKJSA-N",5466322,NA,"PDBC47649","685293","Present",NA,NA
+"47650","NSC685302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685302",NA,"CC(CCC1=NC(=C(O1)N)C#N)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)O)C)O)O)C","OHPBWXLHDZTONA-REGAAARSSA-N",389349,NA,"PDBC47650","685302","Present",NA,NA
+"47651","NSC685414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685414",NA,"COC1=CC=CC=C1C(=NOCCC(=O)O)C2=CC=CS2","WFFUZDZJDDPFBI-FOCLMDBBSA-N",5466324,NA,"PDBC47651","685414","Present",NA,NA
+"47652","NSC685420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685420",NA,"CC1CCC(C(C1)OC2=NN=C(O2)C3C(C(C(O3)CO)O)O)C(C)C","ZPCDVVXMXQKNCY-PXBTURIHSA-N",389374,NA,"PDBC47652","685420","Present",NA,NA
+"47653","NSC685421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685421",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3C(C=C2C1)C5=CC=C(C=C5)O)CCC4OC(=O)C)C)C","BUZUXICQRJRITM-IPQAMJNRSA-N",389375,NA,"PDBC47653","685421","Present",NA,NA
+"47654","NSC685422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685422",NA,"CC1(OCC(O1)C(C2C=CC(=O)S2)O)C","PIBIEMXUMLFSFB-LXZQMHNESA-N",6712432,NA,"PDBC47654","685422","Present",NA,NA
+"47655","NSC685423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685423",NA,"COC1=CC=C(C=C1)CC(CO)NC2=C(CCC2)C#N","BMPIJGYSYBXBMU-AWEZNQCLSA-N",389376,NA,"PDBC47655","685423","Present",NA,NA
+"47656","NSC685430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685430",NA,"C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4","PLIQWXNVJOPJOT-ZEQRLZLVSA-N",5469298,NA,"PDBC47656","685430","Present",NA,NA
+"47657","NSC685473",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685473",NA,"C1=CC=C(C(=C1)C2=NC(=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4O2)O","GZZLUWFPOJQTPH-DYTRJAOYSA-N",135505132,NA,"PDBC47657","685473","Present",NA,NA
+"47658","NSC685475",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685475",NA,"C1=CC=C(C=C1)C(=O)COC2=CC=CC=C2C3=NC(=C4C=CC=CC4=O)SS3","KGTSUOHVDSEKTR-PGMHBOJBSA-N",5469301,NA,"PDBC47658","685475","Present",NA,NA
+"47659","NSC685476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685476",NA,"C1=CC=C(C(=C1)C2=NC(=C3C=CC=CC3=O)SS2)OCC(=O)C4=CC=C(C=C4)Br","VDUYPDGBSKTJHB-PGMHBOJBSA-N",5469302,NA,"PDBC47659","685476","Present",NA,NA
+"47660","NSC685479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685479",NA,"CCOC(=O)C1=C(N=C(SC1=N)C2=CC=C(C=C2)Cl)SC.OCl(=O)(=O)=O","DMMAJQWRNHGPEC-UHFFFAOYSA-N",21144986,NA,"PDBC47660","685479","Present",NA,NA
+"47661","NSC685480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685480",NA,"CCOC(=O)C1=CN=C2NC3CCCCC3N2C1=O","FZXRCBMDQQRVRV-UWVGGRQHSA-N",389408,NA,"PDBC47661","685480","Present",NA,NA
+"47662","NSC685481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685481",NA,"CCOC(=O)C1=CN2C3CCCCC3NC2=NC1=O","ZKGBYHFBCUEAFR-UWVGGRQHSA-N",389409,NA,"PDBC47662","685481","Present",NA,NA
+"47663","NSC685486",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685486",NA,"CC1=CC(N2C3=CC4=CC=CC=C4C=C3N=C2N1)C5=CC=CC=C5","PWLWTAFHXYKIKP-UHFFFAOYSA-N",389414,NA,"PDBC47663","685486","Present",NA,NA
+"47664","NSC685487",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685487",NA,"C1CCC2=C(C1)C(N3C4=CC5=CC=CC=C5C=C4N=C3N2)C6=CC=CC=C6","UNMUPBFNERJVKC-UHFFFAOYSA-N",389415,NA,"PDBC47664","685487","Present",NA,NA
+"47665","NSC685518",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685518",NA,"CCOC(=O)C=C1C(=O)NC2=CC(=C(C=C2N1)F)F","KWCBMVSAQBYXOG-BJMVGYQFSA-N",5469307,NA,"PDBC47665","685518","Present",NA,NA
+"47666","NSC685533",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685533",NA,"CCN(CC)CCOCC1CCCN2C1CCCC2","NVHIJVKEEILZGK-UHFFFAOYSA-N",5459287,NA,"PDBC47666","685533","Present",NA,NA
+"47667","NSC685676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685676",NA,"CC(=O)C1=NC=CN=C1C(=C(C#N)C#N)OC(=O)C.CC(=O)O","FCRIRPBXGKPUFL-UHFFFAOYSA-N",389466,NA,"PDBC47667","685676","Present",NA,NA
+"47668","NSC685678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685678",NA,"CCOC(=O)C(=C(C1=NC=CN=C1)O)C(=O)N.CC(=O)O","AXXRORAEURFYGH-USRGLUTNSA-N",54725321,NA,"PDBC47668","685678","Present",NA,NA
+"47669","NSC685708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685708",NA,"CCCCCCSCC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","QWAPZLBVSLSCGX-CLAROIROSA-N",389486,NA,"PDBC47669","685708","Present",NA,NA
+"47670","NSC685817",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685817",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3C(=NC(=N4)N)Cl)OC5=CC=C(C=C5)C","QZDRFNLXNUYBKC-UHFFFAOYSA-N",389526,NA,"PDBC47670","685817","Present",NA,NA
+"47671","NSC685830",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685830",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3N=CN=C4SC)OC5=CC=C(C=C5)C","QHMGUPLFEKMFEK-UHFFFAOYSA-N",389532,NA,"PDBC47671","685830","Present",NA,NA
+"47672","NSC685835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685835",NA,"CC1=CC=C(C=C1)OCC2C(CC(O2)N3C=NC4=C3C(=NC(=N4)Br)SC)OC5=CC=C(C=C5)C","PCMLOLZCOLJCKD-UHFFFAOYSA-N",389537,NA,"PDBC47672","685835","Present",NA,NA
+"47673","NSC685837",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685837",NA,"CCNC1=NC2=C(C(=O)N1)N=CN2C3CC(C(O3)COP(=O)(O)O)O.N","XXQSKKNDAKKPFX-UHFFFAOYSA-N",135505135,NA,"PDBC47673","685837","Present",NA,NA
+"47674","NSC685844",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685844",NA,"C1C(N=C(N=C1C2=C(C=CC(=C2)Cl)O)N=CC3=CC=CC=C3)C4=CC=CC=C4","AFNHRZJHRPNQMW-MYYYXRDXSA-N",135505136,NA,"PDBC47674","685844","Present",NA,NA
+"47675","NSC685867",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685867",NA,"CC1(C2CCC1(C(C2)OC(=O)NNC(=O)OC3CC4CCC3(C4(C)C)C)C)C","SOPRACJRDQEDIX-BRFQXZCDSA-N",389561,NA,"PDBC47675","685867","Present",NA,NA
+"47676","NSC685956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685956",NA,"C(CCNC(=O)C(F)(F)F)CNCCCNC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O","QWYVTEFNXZZDQI-UHFFFAOYSA-N",389608,NA,"PDBC47676","685956","Present",NA,NA
+"47677","NSC685973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685973",NA,"C1=CC=C2C=C(C=CC2=C1)CN(CCCCN)CCCN.C(=O)(C(F)(F)F)O","LXXWVDKDKCKPHP-UHFFFAOYSA-N",389627,NA,"PDBC47677","685973","Present",NA,NA
+"47678","NSC685976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685976",NA,"C1=CC=C(C=C1)CN(CCCCN(CCCN)CC2=CC=CC=C2)CCCN.C(=O)(C(F)(F)F)O","YDLMTXOKBYKTOJ-UHFFFAOYSA-N",389631,NA,"PDBC47678","685976","Present",NA,NA
+"47679","NSC686135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686135",NA,"CN1CCC(=CC1)OP(=O)(NCC2=CC=CC=C2)N(CCCl)CCCl.C(=O)(C(=O)O)O","BDNFMCAGEHKCTM-UHFFFAOYSA-N",389679,NA,"PDBC47679","686135","Present",NA,NA
+"47680","NSC686318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686318",NA,"COC1=C(C(=C2C(=C1)C3C(C2=O)OC(=O)N3)OC)OC","OLAIFAPQHDDQQI-UFBFGSQYSA-N",389726,NA,"PDBC47680","686318","Present",NA,NA
+"47681","NSC686322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686322",NA,"COC1=C(C(=C2C(=O)CC(C2=C1)N)OC)OC.Cl","GGBRTELOGBIPEL-UHFFFAOYSA-N",389730,NA,"PDBC47681","686322","Present",NA,NA
+"47682","NSC686337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686337",NA,"CC1=CC2=C(C=C1)N=C(N2)CCC(C)C3CCC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)C)C)C","JRIXXSPBRNQPKM-SUFINHCTSA-N",389741,NA,"PDBC47682","686337","Present",NA,NA
+"47683","NSC686345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686345",NA,"C1CN(CCN1CCO)C(=O)CN2C(=O)CC(C2=O)(C3=CC=CC=C3)C4=CC=CC=C4.Cl","WBKHUTARMYDPQA-UHFFFAOYSA-N",389748,NA,"PDBC47683","686345","Present",NA,NA
+"47684","NSC686352",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686352",NA,"C1=CN(C(=O)N=C1OC2=C(C(=C(C(=C2F)F)F)F)F)C3C(C(C(O3)CO)O)O","SJYHJXZPLFBDGQ-UHFFFAOYSA-N",389757,NA,"PDBC47684","686352","Present",NA,NA
+"47685","NSC686357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686357",NA,"CC1=CC(=NC2=C1C=C(C=C2)OC)NN=CC(=NNC3=NC4=C(C=C(C=C4)OC)C(=C3)C)C","VPNZSDZFAAISSE-ASCTXYMMSA-N",9614509,NA,"PDBC47685","686357","Present",NA,NA
+"47686","NSC686358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686358",NA,"CC1=CC(=NC2=C1C=CC(=C2)OC)NN=C(C)C=O","ZSFUCHGLLRJEIP-MHWRWJLKSA-N",5466356,NA,"PDBC47686","686358","Present",NA,NA
+"47687","NSC686366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686366",NA,"CC1=CC2=C(CCCOC2C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)O)C=C1.[Na+]","JXUOCOAQFMPXFC-WWDQNGNJSA-N",54601460,NA,"PDBC47687","686366","Present",NA,NA
+"47688","NSC686399",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686399",NA,"CCOC(=O)C=CC1=C(N(C(=O)N(C1=O)C2=CC=CC=C2)C3=CC=CC=C3)Cl","XANJUKUWOGYJHG-YPKPFQOOSA-N",54608498,NA,"PDBC47688","686399","Present",NA,NA
+"47689","NSC686423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686423",NA,"C1=CC=C(C=C1)C=C(C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C2=CC=CC=C2","PCZOGAZDIREAKS-PTNGSMBKSA-N",5917749,NA,"PDBC47689","686423","Present",NA,NA
+"47690","NSC686424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686424",NA,"C1=CC=C(C=C1)C=C(C2NC3=CC=CC=C3C(=O)O2)NC(=O)C4=CC=CC=C4","FARCUHZSYPQOOV-HKWRFOASSA-N",5917761,NA,"PDBC47690","686424","Present",NA,NA
+"47691","NSC686427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686427",NA,"C1=CC=C(C=C1)C=C(C2NC(C(=O)O2)CC(=O)O)NC(=O)C3=CC=CC=C3","JSJKWEALTZCBIE-PTNGSMBKSA-N",54608475,NA,"PDBC47691","686427","Present",NA,NA
+"47692","NSC686428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686428",NA,"C1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3C(=O)O2)NC(=O)C4=CC=CC=C4","JIXGQNSCELFPAM-HKWRFOASSA-N",5917766,NA,"PDBC47692","686428","Present",NA,NA
+"47693","NSC686429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686429",NA,"C1=CC=C(C=C1)C(=O)NC(=CC2=CC=CC=C2O)C3NC(C(=O)O3)CCC(=O)O","SZUSGTAVUCUOSO-VBKFSLOCSA-N",6519396,NA,"PDBC47693","686429","Present",NA,NA
+"47694","NSC686430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686430",NA,"C1=CC=C(C=C1)CN2C=C(N3C2=NC(=C3O)C=C4C=CC=CC4=O)N","PKZQOERXEXKQDK-UVTDQMKNSA-N",135505137,NA,"PDBC47694","686430","Present",NA,NA
+"47695","NSC686465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686465",NA,"CC1=NN=C(SC1=NO)N.Cl","JEYORTDKWAHSDL-DCDCITSCSA-N",135505138,NA,"PDBC47695","686465","Present",NA,NA
+"47696","NSC686470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686470",NA,"C1=CC=C2C(=C1)C3=NC4=CC=C(C=C4)C5=NC6=C(O5)C=C(C=C6)N=C7C8=CC=CC=C8C(=NC9=CC1=C(C=C9)N=C(O1)C1=CC=C(C=C1)N=C2N3)N7","CFSSBEPQKFNLBU-UHFFFAOYSA-N",135489871,NA,"PDBC47696","686470","Present",NA,NA
+"47697","NSC686491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686491",NA,"C1CC(C(=O)C1)CC(CN2CCOCC2)SC3=NN=NN3C4=CC=CC=C4.Cl","QPIORBIQPHPUHX-UHFFFAOYSA-N",389860,NA,"PDBC47697","686491","Present",NA,NA
+"47698","NSC686495",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686495",NA,"CC1=CC(=NNC(=O)C2=CC=NC=C2)N3C(=N1)SC(=N3)N","LXAYKHDSCCRMFN-SXGWCWSVSA-N",5481670,NA,"PDBC47698","686495","Present",NA,NA
+"47699","NSC686501",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686501",NA,"CC(CCOCC1=CC=C(C=C1)OC)OC2C(C(C(C(O2)CO[Si](C)(C)C(C)(C)C)OC(=O)CCCN=[N+]=[N-])OC(=O)CCCN=[N+]=[N-])OC(=O)CCCN=[N+]=[N-]","KEMFXFONLNFIMG-YWGGAOTQSA-N",5469341,NA,"PDBC47699","686501","Present",NA,NA
+"47700","NSC686520",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686520",NA,"CC(C)[Si](C(C)C)(C(C)C)OC1=C(C(=C2C=CC3=C(C2=C1)CCCC3(C)C)O)C(C)CO[Si](C)(C)C(C)(C)C","FGEODQNFRVPTEH-VWLOTQADSA-N",389889,NA,"PDBC47700","686520","Present",NA,NA
+"47701","NSC686521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686521",NA,"CC(C)C1=C(C=C2C(=C1O)CCC3C2(CCCC3(C)C)C)O[Si](C(C)C)(C(C)C)C(C)C","OFVONZGMHQSJRV-ABYGYWHVSA-N",389890,NA,"PDBC47701","686521","Present",NA,NA
+"47702","NSC686548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686548",NA,NA,NA,NA,NA,"PDBC47702","686548","Present",NA,NA
+"47703","NSC686559",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686559",NA,"C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=C(C=C4)C(=O)NCCC5=CC=CC=N5)C=C(C=C2)[N+](=O)[O-])CCl.Cl","GTWZMNBKJZVHCQ-UHFFFAOYSA-N",389905,NA,"PDBC47703","686559","Present",NA,NA
+"47704","NSC686563",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686563",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)CCOS(=O)(=O)C(CC2=NC3=CC=CC=C3N2)S(=O)(=O)O.[Na+]","SOBSTLBIDNVEHR-UHFFFAOYSA-N",54608455,NA,"PDBC47704","686563","Present",NA,NA
+"47705","NSC686570",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686570",NA,"CS(=O)(=O)OC1C(C2=CC=CC=C2C1O)N=[N+]=[N-]","GEXLBEFSQRHXGC-IVZWLZJFSA-N",389918,NA,"PDBC47705","686570","Present",NA,NA
+"47706","NSC686573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686573",NA,"C1CSC2(S1)C3CC(C4=CC=CC=C34)C(=C2Br)Br","RHKMQBSXYARXQX-MNOVXSKESA-N",389921,NA,"PDBC47706","686573","Present",NA,NA
+"47707","NSC686612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686612",NA,"CN1C(=O)C2=C(NC(C(C(=N2)C3=CC=CC=C3)C(CC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)N=C1OC","QRRSMCPVXLEZGY-KHHFXIDFSA-N",6331525,NA,"PDBC47707","686612","Present",NA,NA
+"47708","NSC686613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686613",NA,"CN1C(=O)C2=C(NC(C(C(=N2)C3=CC=CC=C3)C(CC(=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)N=C1SC","LFPQQDRLZUFZET-KHHFXIDFSA-N",6331526,NA,"PDBC47708","686613","Present",NA,NA
+"47709","NSC686614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686614",NA,"CN1C(=O)C2=C(NC(C(C(=N2)C3=CC=C(C=C3)OC)C(CC(=O)C4=CC=C(C=C4)OC)C5=CC=CC=C5)C6=CC=CC=C6)N=C1SC","KECRSOSOCIOLJU-IYBDJRMXSA-N",6331527,NA,"PDBC47709","686614","Present",NA,NA
+"47710","NSC686653",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686653",NA,"COC1=CC=C(C=C1)N2C(=O)C(=NN2)C(=O)N.[Na+]","FGUSARCCXKNQOL-UHFFFAOYSA-N",54608689,NA,"PDBC47710","686653","Present",NA,NA
+"47711","NSC686656",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686656",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)C2=NNN(C2=O)C3=CC(=CC=C3)[N+](=O)[O-].[Na+]","VGUOKFYDIWFLTE-UHFFFAOYSA-N",54608532,NA,"PDBC47711","686656","Present",NA,NA
+"47712","NSC686922",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686922",NA,"COC1=CC2=C(C=C1)C3C4=CC=CC=C4CCCN3CC2.Cl","QRYNMABWKQKKLM-UHFFFAOYSA-N",389998,NA,"PDBC47712","686922","Present",NA,NA
+"47713","NSC686932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686932",NA,"COC1=C(C=C2C(=C1)CCN=C2CC3=CC=CC=C3CCCl)OC.Cl","SYEWOAPGKJNNHR-UHFFFAOYSA-N",390009,NA,"PDBC47713","686932","Present",NA,NA
+"47714","NSC686933",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686933",NA,"COC1=CC2=C(C=C1)C(=NCC2)CC3=CC=CC=C3CCCl.Cl","QBXRAZRCIRVAOY-UHFFFAOYSA-N",390011,NA,"PDBC47714","686933","Present",NA,NA
+"47715","NSC686934",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686934",NA,"C1CN=C(C2=CC=CC=C21)CC3=CC=CC=C3CCCl.Cl","QNJQUHFKHWWQDN-UHFFFAOYSA-N",390013,NA,"PDBC47715","686934","Present",NA,NA
+"47716","NSC686936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686936",NA,"COC1=CC(=C(C=C1)CCCCl)C2=NCCC3=CC(=C(C=C32)OC)OC.Cl","JQIQYAYSIPETLM-UHFFFAOYSA-N",390016,NA,"PDBC47716","686936","Present",NA,NA
+"47717","NSC686937",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686937",NA,"COC1=CC(=C(C=C1)CCCCl)C2=NCCC3=CC=CC=C32.Cl","CHSORSIPRZDZLC-UHFFFAOYSA-N",390018,NA,"PDBC47717","686937","Present",NA,NA
+"47718","NSC686938",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686938",NA,"COC1=C(C=C2C(=C1)CCN=C2C3=CC=CC=C3CCCCl)OC.Cl","MCDZGCMANABZES-UHFFFAOYSA-N",390020,NA,"PDBC47718","686938","Present",NA,NA
+"47719","NSC686939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686939",NA,"COC1=CC2=C(C=C1)C(=NCC2)C3=CC=CC=C3CCCCl.Cl","IFNRZTFHDAHUDC-UHFFFAOYSA-N",390022,NA,"PDBC47719","686939","Present",NA,NA
+"47720","NSC686940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686940",NA,"C1CN=C(C2=CC=CC=C21)C3=CC=CC=C3CCCCl.Cl","PFGOVZLHIAVTIF-UHFFFAOYSA-N",390024,NA,"PDBC47720","686940","Present",NA,NA
+"47721","NSC686943",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686943",NA,"COC1=C(C=C(C=C1)CCNC(=O)C2CCCCC2CCO)OC","BEEOWOKEWGEIJO-CVEARBPZSA-N",390028,NA,"PDBC47721","686943","Present",NA,NA
+"47722","NSC686944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686944",NA,"C1CCC(C(C1)CCO)C(=O)NCCC2=CC=CC=C2","SNNRJVVVYCOTCE-CVEARBPZSA-N",390029,NA,"PDBC47722","686944","Present",NA,NA
+"47723","NSC686947",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686947",NA,"COC1=C(C=C(C=C1)CCN=C2C3=CC=CC=C3CO2)OC.Cl","GVAKFRHJKMWCNB-UHFFFAOYSA-N",390032,NA,"PDBC47723","686947","Present",NA,NA
+"47724","NSC686961",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686961",NA,"C1C(NCC(N1)CC2=CC(=C(C=C2)O)Br)CC3=CC=C(C=C3)O.Br","OQXHEJCHECQPGU-CTHHTMFSSA-N",390046,NA,"PDBC47724","686961","Present",NA,NA
+"47725","NSC687002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687002",NA,"C1CCN(CC1)CC2CCCC(=CC3=CC=C(C=C3)O)C2=O.Cl","PJPOWFBKQQNGKD-ZUQRMPMESA-N",5469353,NA,"PDBC47725","687002","Present",NA,NA
+"47726","NSC687003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687003",NA,"C1CCN(CC1)CC2=C(C=CC(=C2)C=C3CCCC(=CC4=CC=C(C=C4)Cl)C3=O)O","VGGDXIXJVYYRAS-YHARCJFQSA-N",5469355,NA,"PDBC47726","687003","Present",NA,NA
+"47727","NSC687004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687004",NA,"C1CCN(CC1)CC2=C(C=CC(=C2)C=C3CCCC(=CC4=CC=CC=C4)C3=O)O","KQXDRRPPRVKAFE-LKNRODPVSA-N",5469356,NA,"PDBC47727","687004","Present",NA,NA
+"47728","NSC687005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687005",NA,"CC1=CC=C(C=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)CN4CCCCC4)C2=O","OLMOKVKLMNWDCR-WPHIWBHXSA-N",5469357,NA,"PDBC47728","687005","Present",NA,NA
+"47729","NSC687006",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687006",NA,"COC1=CC=C(C=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)CN4CCCCC4)C2=O","ODVBNZXSNJGYDV-LKNRODPVSA-N",5469358,NA,"PDBC47729","687006","Present",NA,NA
+"47730","NSC687022",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687022",NA,"CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COC(=O)C)CC(=O)OC)OC(=O)C","PCQHTOFBKOOUGO-UHFFFAOYSA-N",390079,NA,"PDBC47730","687022","Present",NA,NA
+"47731","NSC687027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687027",NA,"B(O)(O)O.CNC(=O)N1C(C(N1)C2=CC=CC=C2)C3=CC=CC=C3","QFGRXAXCTFEVQA-LIOBNPLQSA-N",390083,NA,"PDBC47731","687027","Present",NA,NA
+"47732","NSC687029",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687029",NA,"C1=CC=C(C=C1)C2C([N+](=O)N2[O-])C3=CC=CC=C3","LDRQOYYTPNOGKX-OKILXGFUSA-N",390086,NA,"PDBC47732","687029","Present",NA,NA
+"47733","NSC687033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687033",NA,"CN1C(=O)N2C(C(N2C1=O)C3=CC=CC=C3)C4=CC=CC=C4","WMWNQDILOCGLON-GASCZTMLSA-N",390090,NA,"PDBC47733","687033","Present",NA,NA
+"47734","NSC687218",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687218",NA,"CCOC(=O)NN=C(CC1=CC=C(C=C1)Cl)N","UITRHEIFIHKHMM-UHFFFAOYSA-N",5466377,NA,"PDBC47734","687218","Present",NA,NA
+"47735","NSC687318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687318",NA,"C1CS(=O)(=O)C(=NS(=O)(=O)C2=CC=C(C=C2)Cl)N1CC3=CC=CC=C3","CYKAECQSHRIKEK-FBMGVBCBSA-N",5915853,NA,"PDBC47735","687318","Present",NA,NA
+"47736","NSC687319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687319",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=C2N(CCCS2(=O)=O)C","SZZUIAKVELVFKO-SEYXRHQNSA-N",5874337,NA,"PDBC47736","687319","Present",NA,NA
+"47737","NSC687321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687321",NA,"CC1(CC2=NC3=C(C4=CC=CC=C4C=C3)C(=C2C(=NO)C1)C5=CC=C(C=C5)Cl)C","DJZIQNCBCYLQKY-HFTWOUSFSA-N",5480886,NA,"PDBC47737","687321","Present",NA,NA
+"47738","NSC687327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687327",NA,"CC1=CC(=C(C(=C1)C)P2C(=C(C(C)(C)C)O[Si](C(C)C)(C(C)C)C(C)C)C2(C3=CC=CC=C3)C4=CC=CC=C4)C","JKIZFOYAYZIYPM-KNWKATPGSA-N",5469384,NA,"PDBC47738","687327","Present",NA,NA
+"47739","NSC687354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687354",NA,"CC(=O)OCC1C(C(C(C(O1)OC2C=CC(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OC)OC(=O)C)OC(=O)C)OC(=O)C","GFIMWEJQHUYXDX-OJCNOXOOSA-N",390193,NA,"PDBC47739","687354","Present",NA,NA
+"47740","NSC687355",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687355",NA,"CC(=O)OCC1C(C(C(C(O1)OC2C=CC(N3N2C(=O)N(C3=O)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C","SNWNYYPRIJMZIH-XAIJXGJMSA-N",390194,NA,"PDBC47740","687355","Present",NA,NA
+"47741","NSC687543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687543",NA,"C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)CO","BJSRJSIBEOXZBR-ATIYNZHBSA-N",390251,NA,"PDBC47741","687543","Present",NA,NA
+"47742","NSC687544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687544",NA,"C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C=O","LIRKLXABCCGOPK-ATIYNZHBSA-N",390252,NA,"PDBC47742","687544","Present",NA,NA
+"47743","NSC687545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687545",NA,"CC(C)(C)OC(=O)C1CCC(N1)CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-]","RCQUUXVBNIQQBU-ZSOXZCCMSA-N",390253,NA,"PDBC47743","687545","Present",NA,NA
+"47744","NSC687549",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687549",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC(=C(C)O)C(=O)C","IEEAJKLNEMBALV-ZSXGPIJXSA-N",135505142,NA,"PDBC47744","687549","Present",NA,NA
+"47745","NSC687551",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687551",NA,"CCOC(=O)C(=C(C)O)C=NC1=C(N(N(C1=O)C2=CC=CC=C2)C)C","GURXLZPOYIDYPM-MZUKECFHSA-N",135505143,NA,"PDBC47745","687551","Present",NA,NA
+"47746","NSC687609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687609",NA,"CC1=C(C(=O)N(N1C)C)N=CC(=C(C2=CC=CC=C2)O)C(=O)C","QTOHVCJHLZCBKA-ZKKICTKCSA-N",135442874,NA,"PDBC47746","687609","Present",NA,NA
+"47747","NSC687612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687612",NA,"CCOC(=O)C(=C(C1=CC=CC=C1)O)C=NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C","YWARQKQWMMTPMB-SXCYSVFYSA-N",135442875,NA,"PDBC47747","687612","Present",NA,NA
+"47748","NSC687665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687665",NA,"C1CC(=CC2=CC(=CC=C2)Br)C(=O)C3=CC=CC=C31","RXQZJBJGVUPGNK-GXDHUFHOSA-N",1811469,NA,"PDBC47748","687665","Present",NA,NA
+"47749","NSC687830",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687830",NA,"CCOP(=O)(C(=CC1=CC=CS1)CC(=O)C)OCC","RQQLCFCIIBYIMJ-ZRDIBKRKSA-N",5469421,NA,"PDBC47749","687830","Present",NA,NA
+"47750","NSC687853",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687853",NA,"CN(C)C1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)N(C)C)C2=O)C(=O)C=C","KIJSWTZBZRWQNK-YHARCJFQSA-N",5469429,NA,"PDBC47750","687853","Present",NA,NA
+"47751","NSC687854",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687854",NA,"COC1=CC=C(C=C1)C=CC(=O)CCN2CCN(CC2)CCC(=O)C=CC3=CC=C(C=C3)OC.Cl","IHEKOYIOKVJRSX-RUACYTINSA-N",6519463,NA,"PDBC47751","687854","Present",NA,NA
+"47752","NSC687855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687855",NA,"C1CN(CCN1CCC(=O)C=CC2=CC(=C(C=C2)Cl)Cl)CCC(=O)C=CC3=CC(=C(C=C3)Cl)Cl.Cl","LPOGEEAJBOBUEH-BFDFJXGRSA-N",6519464,NA,"PDBC47752","687855","Present",NA,NA
+"47753","NSC688021",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688021",NA,"C1=C(SC(=C1)[N+](=O)[O-])COP(=O)(N)N(CCBr)CCBr","LZKGFJPERKWSAN-UHFFFAOYSA-N",390534,NA,"PDBC47753","688021","Present",NA,NA
+"47754","NSC688026",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688026",NA,"CCN1CCC(C(C1)C(=O)C=CC2=CC=CC(=C2)C)(C=CC3=CC=CC(=C3)C)O.Cl","FLIZHTFPWAKFSF-YMSVKFOGSA-N",5469434,NA,"PDBC47754","688026","Present",NA,NA
+"47755","NSC688304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688304",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NCCN)CCl)OC)OC.Cl","GPJJMBYWWDVUOK-UHFFFAOYSA-N",390672,NA,"PDBC47755","688304","Present",NA,NA
+"47756","NSC688307",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688307",NA,"CCC1(C2=C(COC1=O)C(=O)N(C(=C2)I)CC#C)O","BMUJHRFJDYDWFP-ZDUSSCGKSA-N",390675,NA,"PDBC47756","688307","Present",NA,NA
+"47757","NSC688308",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688308",NA,"CC1=C(N=C(O1)C2CCCN2C(=O)C(C(C)C)NC(C)(C)C=C)C3=NC(=C(O3)C)C(=O)OCC=C(C)C","PFXJYHPNSWNJBP-LEWJYISDSA-N",390676,NA,"PDBC47757","688308","Present",NA,NA
+"47758","NSC688316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688316",NA,"C[N+]12CCCCC1C(CCC2)CN3C(=O)CC4=C5C=CC=CC5=C(CC3=O)C6=CC=CC=C46.[I-]","JZAFGGNJIUPTCL-UHFFFAOYSA-M",390680,NA,"PDBC47758","688316","Present",NA,NA
+"47759","NSC688318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688318",NA,"CC(C)(C)C(=O)OCC1CCC[N+]2(C1CCCC2)C.[I-]","SYIHNXHGBRRHII-UHFFFAOYSA-M",390683,NA,"PDBC47759","688318","Present",NA,NA
+"47760","NSC688325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688325",NA,"CC1=CC(=NC(=N1)Cl)C(C#N)C2=NC3=CC=CC=C3S2","VZMUTBNJGOPPJS-VIFPVBQESA-N",390693,NA,"PDBC47760","688325","Present",NA,NA
+"47761","NSC688326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688326",NA,"CC1=CC(=NC(=N1)Cl)C(C#N)C2=NC3=CC=CC=C3N2","RLKCOYYZVSIAOW-VIFPVBQESA-N",390694,NA,"PDBC47761","688326","Present",NA,NA
+"47762","NSC688327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688327",NA,"C1=CC=C2C(=C1)N=C(C(=N2)Cl)C(C#N)C3=CC=CC=N3","RZAWNTXNYFPVOW-SNVBAGLBSA-N",390695,NA,"PDBC47762","688327","Present",NA,NA
+"47763","NSC688328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688328",NA,"C1=CC=C2C(=C1)N=C(C(=N2)Cl)C(C#N)C3=NC4=CC=CC=C4S3","GXLORHXTBUWYQG-JTQLQIEISA-N",5469453,NA,"PDBC47763","688328","Present",NA,NA
+"47764","NSC688329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688329",NA,"C1=CC=C2C(=C1)NC(=N2)C(C#N)C3=NC4=CC=CC=C4N=C3Cl","CONGDXLVGSDCKY-JTQLQIEISA-N",5469454,NA,"PDBC47764","688329","Present",NA,NA
+"47765","NSC688339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688339",NA,"CC1(C(=CC2=CC=CC=C2)C(=O)C(C1(C)C)(C)C)C","ZBVPFWWTNCRLCP-OWBHPGMISA-N",5469455,NA,"PDBC47765","688339","Present",NA,NA
+"47766","NSC688347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688347",NA,"CC(C)C(C(=O)OC)NC(=O)N(CCCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)CCC#N","HPZIGWYQZPOXFB-FTJBHMTQSA-N",54608524,NA,"PDBC47766","688347","Present",NA,NA
+"47767","NSC688350",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688350",NA,"CC(C)C(C(=O)OC)NC(=O)N(CCC#N)CCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC","RUVUGLDZJLSRCP-DQEYMECFSA-N",54612620,NA,"PDBC47767","688350","Present",NA,NA
+"47768","NSC688351",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688351",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC","QJOYQYIYCHPHIA-VMPREFPWSA-N",54608523,NA,"PDBC47768","688351","Present",NA,NA
+"47769","NSC688356",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688356",NA,"C1CCC(C(C1)N(CCC#N)C(=O)NC2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)NC4=CC=CC=C4","FDPYBDJKRUOUBG-SVBPBHIXSA-N",390714,NA,"PDBC47769","688356","Present",NA,NA
+"47770","NSC688357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688357",NA,"CNC(=O)N(CCC#N)C1CCCCC1N(C2=CC=CC=C2)C(=O)NC","XVMIAEAEJBPPNQ-IRXDYDNUSA-N",390715,NA,"PDBC47770","688357","Present",NA,NA
+"47771","NSC688360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688360",NA,"CCC(C)C(C(=O)OC)NC(=O)N(CCC#N)CCN(CCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)C(=O)NC(C(C)C)C(=O)OC","HUWGDLMTXXXORX-XGKFQTDJSA-N",390718,NA,"PDBC47771","688360","Present",NA,NA
+"47772","NSC688363",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688363",NA,"CC(C)CC(C(=O)NC)NC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCN(CCC#N)C(=O)NC2=CC(=C(C=C2)OC)C(=O)NC)C3=CC=CC=C3","OQUMRBRDOVMCKD-ACHIHNKUSA-N",390721,NA,"PDBC47772","688363","Present",NA,NA
+"47773","NSC688364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688364",NA,"CCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)NC","KDYPQVKSSPYDSD-VXKWHMMOSA-N",390722,NA,"PDBC47773","688364","Present",NA,NA
+"47774","NSC688365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688365",NA,"CCOC(=O)C1=C(C=CC(=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC(C)C)C(=O)NC)OC","BPYBIGICYNZRBK-LQJZCPKCSA-N",390723,NA,"PDBC47774","688365","Present",NA,NA
+"47775","NSC688366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688366",NA,"CCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(C)C)C(=O)OC","VAAUOUWBAOPGLI-VXKWHMMOSA-N",390724,NA,"PDBC47775","688366","Present",NA,NA
+"47776","NSC688368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688368",NA,"CCN(C1=CC=CC=C1)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)OC","WTKXRLDGHLPYPQ-LPHOPBHVSA-N",390726,NA,"PDBC47776","688368","Present",NA,NA
+"47777","NSC688370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688370",NA,"CCC(C)C(C(=O)NC(CC(C)C)C(=O)OC)NC(=O)C(CC1=CC=CC=C1)NC(=O)N(CC)C2=CC=CC=C2","SRTQNKITDWCMKM-ZYDVDNKGSA-N",390728,NA,"PDBC47777","688370","Present",NA,NA
+"47778","NSC688371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688371",NA,"CCN(C1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)NC(CSC)C(=O)NC(C)C(=O)OC","MYMIINJKDWHNDA-SZMVWBNQSA-N",5469458,NA,"PDBC47778","688371","Present",NA,NA
+"47779","NSC688373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688373",NA,"CCN(C1=CC=CC=C1)C(=S)NC(C(C)C)C(=O)NC(C)C(=O)OC","UOYNUNNNFCFQAW-ZFWWWQNUSA-N",5469460,NA,"PDBC47779","688373","Present",NA,NA
+"47780","NSC688374",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688374",NA,"CC(C)C1C(=O)N(C(=O)N1)C(C)C(=O)OC","XKVJNEUKUAITRK-BQBZGAKWSA-N",390732,NA,"PDBC47780","688374","Present",NA,NA
+"47781","NSC688375",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688375",NA,"CC(C)C1C(=O)N(C(=O)N1)C(CSC)C(=O)NC(C)C(=O)OC","IRBVWHJSEQXIGZ-GUBZILKMSA-N",5469461,NA,"PDBC47781","688375","Present",NA,NA
+"47782","NSC688484",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688484",NA,NA,NA,NA,NA,"PDBC47782","688484","Present",NA,NA
+"47783","NSC688540",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688540",NA,"CC1=CC(=C(C=C1C)SC2=CC(=O)NC(=O)N2)NCC(C(C(CO)O)O)O","MIPPJSHWDMIZCA-OZVIIMIRSA-N",390775,NA,"PDBC47783","688540","Present",NA,NA
+"47784","NSC688713",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688713",NA,"CC1CC(=O)CC2C1(C3CCC4(C(C3CC2)CCC4OC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C)C","OVYKLSABRZTPLV-SDPUNOITSA-N",390779,NA,"PDBC47784","688713","Present",NA,NA
+"47785","NSC688714",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688714",NA,"CC12CCC3C(C1CCC2OC(=O)C4=CC=CC5=C4NC6=CC=CC=C6C5=O)CCC7=C3C=CC(=C7)OC(=O)C8=CC=CC=C8","AABFBZYCIQMNMX-WLHASUIJSA-N",390780,NA,"PDBC47785","688714","Present",NA,NA
+"47786","NSC688715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688715",NA,"CC1C=C2C3CC(CCC3(CCC2(C4(C1C5(CCC(C(C5CC4)(C)C)OC(=O)C6=CC=CC7=C6NC8=CC=CC=C8C7=O)C)C)C)C)(C)C(=O)O","MECZBSNJMGVBQV-BDLODYOHSA-N",390781,NA,"PDBC47786","688715","Present",NA,NA
+"47787","NSC688718",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688718",NA,"CC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34","JBTTXLNSLWIBNW-QMJDLBCDSA-N",9572014,NA,"PDBC47787","688718","Present",NA,NA
+"47788","NSC688812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688812",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)OCC","KHNIBIUBGXNNDL-NRFANRHFSA-N",10507857,NA,"PDBC47788","688812","Present",NA,NA
+"47789","NSC688879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688879",NA,"C1CCC2(CC1)OCC(O2)C=NO","RRCPKWVNQQFNGR-QMEHYBMDSA-N",9572015,NA,"PDBC47789","688879","Present",NA,NA
+"47790","NSC688880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688880",NA,"CC1(OCC(O1)C(C(CC=C)NCC2=CC=CC=C2)OCC3=CC=CC=C3)C","AJYUOGLVQOWCNI-KXNJDZORSA-N",390822,NA,"PDBC47790","688880","Present",NA,NA
+"47791","NSC688881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688881",NA,"C1=CC=C(C=C1)CNC(C2=CC=CS2)C(C(CO)O)OCC3=CC=CC=C3","PTFOSRABPFBHNK-KSEOMHKRSA-N",390823,NA,"PDBC47791","688881","Present",NA,NA
+"47792","NSC688882",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688882",NA,"CC(=O)OCC(=O)OCC(C1C(C(=O)N1CC2=CC=CC=C2)OC(=O)C)OCC3=CC=CC=C3","FLZKJHCVSOKFGO-QTJGBDASSA-N",390824,NA,"PDBC47792","688882","Present",NA,NA
+"47793","NSC688883",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688883",NA,"CC(C1=CC=CC=C1)N2C(C(C2=O)OCC3=CC=CC=C3)C(COC(=O)COCC4=CC=CC=C4)OCC5=CC=CC=C5","SSTJFGXHGQXFOL-DDWFXKBOSA-N",390825,NA,"PDBC47793","688883","Present",NA,NA
+"47794","NSC688884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688884",NA,"CC(C1=CC=CC=C1)N2C(C(C2=O)O)C(CO)OCC3=CC=CC=C3","OKJBLVRSSTUJEE-FDPIWHGQSA-N",390826,NA,"PDBC47794","688884","Present",NA,NA
+"47795","NSC688887",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688887",NA,"C=CC1C(OC(=O)O1)CO","YAGSRLHRUHYMRM-WHFBIAKZSA-N",390829,NA,"PDBC47795","688887","Present",NA,NA
+"47796","NSC688889",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688889",NA,"CCOC(=O)C1C(OC(O1)C2=CC=CC=C2)C(=O)OCC","BAMBLLDJYZVARV-VXGBXAGGSA-N",390831,NA,"PDBC47796","688889","Present",NA,NA
+"47797","NSC688891",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688891",NA,"CCC(C)C(C(C1COC(O1)(C)C)OCC2=CC=CC=C2)NCC3=CC=CC=C3","LEQOOENKVQOAPZ-CDHIZQGESA-N",390833,NA,"PDBC47797","688891","Present",NA,NA
+"47798","NSC688892",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688892",NA,"CC1C(COC(=O)N1CC2=CC=CC=C2)OCC3=CC=CC=C3","OHLOLCSBCYGKMN-PKHIMPSTSA-N",390834,NA,"PDBC47798","688892","Present",NA,NA
+"47799","NSC688893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688893",NA,"CC(C)CC1C(COS(=O)N1CC2=CC=CC=C2)OCC3=CC=CC=C3","UPNNHCINTOBUBN-WRDKKKNXSA-N",390835,NA,"PDBC47799","688893","Present",NA,NA
+"47800","NSC688894",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688894",NA,"CC(C)CC1C(COS(=O)(=O)N1CC2=CC=CC=C2)OCC3=CC=CC=C3","ZAXRNHPEEGDYQG-LBAQZLPGSA-N",390836,NA,"PDBC47800","688894","Present",NA,NA
+"47801","NSC688895",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688895",NA,"CC(C)CC1C(COS(=O)(=O)N1C(C)C2=CC=CC=C2)OCC3=CC=CC=C3","MTQJMWTYIRKCLO-COPCDDAFSA-N",390837,NA,"PDBC47801","688895","Present",NA,NA
+"47802","NSC688896",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688896",NA,"CCOC(C(C(C(C1COC(O1)(C)C)O)O)N)OCC","ZWVGYNRKLYPVBU-CHWFTXMASA-N",390838,NA,"PDBC47802","688896","Present",NA,NA
+"47803","NSC688995",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688995",NA,"CCCCCCCCCCCCCCCCOCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O[P+](=S)OC","PVSDMORFTDRLRS-LHEWISCISA-N",6331540,NA,"PDBC47803","688995","Present",NA,NA
+"47804","NSC688996",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688996",NA,"CCCCCCCCCCCCCCCCOCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O[P+](=S)OC","PVSDMORFTDRLRS-KXQOOQHDSA-N",6331541,NA,"PDBC47804","688996","Present",NA,NA
+"47805","NSC688999",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC688999",NA,"COC(=O)C1=CC2=C(O1)SC3=CC=CC=C3C2=NO","SZEUKOICNNQFMF-SDNWHVSQSA-N",5466408,NA,"PDBC47805","688999","Present",NA,NA
+"47806","NSC689132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689132",NA,"COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)OC)C7=CC=CC=C7","DEXLCGGYIACTEW-UHFFFAOYSA-N",390911,NA,"PDBC47806","689132","Present",NA,NA
+"47807","NSC689133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689133",NA,"COC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=C5C=C(C=C6)OCC7=CC=CC=C7)C8=CC=CC=C8","CSQGVWKJGSRMAL-UHFFFAOYSA-N",390912,NA,"PDBC47807","689133","Present",NA,NA
+"47808","NSC689138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689138",NA,"CC(C)C1CCC2C(C1)C3C(C4=C2C5=C(N4)C=CC(=C5)OCC6=CC=CC=C6)C(=O)N(C3=O)C7=CC=C(C=C7)OC","IJWCSICEPZKPQX-UHFFFAOYSA-N",390917,NA,"PDBC47808","689138","Present",NA,NA
+"47809","NSC689140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689140",NA,"CC1=CC2=C(C=C1)NC3=C2C4CCC(CC4C5C3C(=O)N(C5=O)C6=CC=C(C=C6)OC)C7=CC=CC=C7","OGDCFWZASLYBBX-UHFFFAOYSA-N",390919,NA,"PDBC47809","689140","Present",NA,NA
+"47810","NSC689184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689184",NA,"C1=CC=C(C=C1)C(=O)OCC2C(C=C(C(=O)O2)OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4","NNTHQODOUBDQCG-JTHBVZDNSA-N",390931,NA,"PDBC47810","689184","Present",NA,NA
+"47811","NSC689186",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689186",NA,"CC1(OC2C(O1)C(OC2C(=O)C3=CC=CC=C3)OC)C","OELMXJMZROUTBR-AAVRWANBSA-N",390933,NA,"PDBC47811","689186","Present",NA,NA
+"47812","NSC689190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689190",NA,"CC1(OC2C(C3CC(=O)OC3C2O1)COCC4=CC=CC=C4)C","FLLOKKMBYPSPDB-LYHPXFHOSA-N",390937,NA,"PDBC47812","689190","Present",NA,NA
+"47813","NSC689191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689191",NA,"CC1(OCC(O1)CC(COCC2=CC=CC=C2)O)C","XVNMLTFHQJRHLY-UONOGXRCSA-N",390938,NA,"PDBC47813","689191","Present",NA,NA
+"47814","NSC689192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689192",NA,"CC1(C2CCC1(C(=O)C2C(C3CCCCC3)O)C)C","RJRVGVXDEQQSDR-OFNHWJQESA-N",390939,NA,"PDBC47814","689192","Present",NA,NA
+"47815","NSC689196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689196",NA,"CC1(OCC(O1)CC(COCC2=CC=CC=C2)OC3=CC=C(C=C3)OC)C","RCNXPBMLVWXRKW-LEWJYISDSA-N",390943,NA,"PDBC47815","689196","Present",NA,NA
+"47816","NSC689199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689199",NA,"CC1(OCC(O1)CC(CO)OC2=CC=C(C=C2)OC)C","YNUIFTRHQBPRSN-UONOGXRCSA-N",390946,NA,"PDBC47816","689199","Present",NA,NA
+"47817","NSC689200",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689200",NA,"CC1CCC(CC1(C2CC(OC2=O)C(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)C(=C)C","GJFVKAODBIZAMN-VVQPPZLUSA-N",390947,NA,"PDBC47817","689200","Present",NA,NA
+"47818","NSC689201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689201",NA,"CC(CCC1=CC=CC=C1)(C(C2CCC(C2(COCC3=CC=CC=C3)O)OCC4=CC=CC=C4)C(=O)OC)O","HKNMRDSBCNXGGR-ZVUIRENXSA-N",390948,NA,"PDBC47818","689201","Present",NA,NA
+"47819","NSC689213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689213",NA,"COC(=O)C=CCOCC1C2C1C(=O)CC2","VLNKEZYMKJSLPJ-IHWYPQMZSA-N",5469498,NA,"PDBC47819","689213","Present",NA,NA
+"47820","NSC689215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689215",NA,"COC(=O)C12CCCC(=O)C1C3C2CCCC3","HMHHOJUUTHCEJI-HEQLZXTPSA-N",390962,NA,"PDBC47820","689215","Present",NA,NA
+"47821","NSC689216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689216",NA,"C1CC2C(C1)C3(C2C(=O)CCC3)C#N","ODLMURDULMFUSB-BSJXLVFVSA-N",390963,NA,"PDBC47821","689216","Present",NA,NA
+"47822","NSC689217",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689217",NA,"COC(=O)C12CCCC(=O)C1C3C2CCC3","SXJXNFNWTNHFFG-IZWKTGJZSA-N",390964,NA,"PDBC47822","689217","Present",NA,NA
+"47823","NSC689220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689220",NA,"CCCCC(C)(CC=CC1C(CC(=O)C1C(CCCCCC(=O)OC)O)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C","CDLLQQUCUNYKKE-BEWXUERZSA-N",5469501,NA,"PDBC47823","689220","Present",NA,NA
+"47824","NSC689224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689224",NA,"CCCCCC(C=CC1C(CC(=O)C1C(CCCCCC(=O)OC)O)O[Si](C)(C)C(C)(C)C)OCOCCOC","TXNZEFWXAGSEPE-OAHITEERSA-N",5469505,NA,"PDBC47824","689224","Present",NA,NA
+"47825","NSC689225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689225",NA,"CCCCCC(C1C(C(CC1=O)O[Si](C)(C)C(C)(C)C)C=CCCOCC2=CC=CC=C2)O","IWQUVUIDHNEBRL-DCLLBNFDSA-N",5469506,NA,"PDBC47825","689225","Present",NA,NA
+"47826","NSC689276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689276",NA,"C1C(=CC2=CC=C(C=C2)F)C3=C(CO1)C(NC(=S)N3)C4=CC=C(C=C4)F","WVZGCXLOPNABJQ-NTEUORMPSA-N",5469508,NA,"PDBC47826","689276","Present",NA,NA
+"47827","NSC689278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689278",NA,"C1C(=CC2=CC=CC=C2Cl)C3=C(CO1)C(NC(=S)N3)C4=CC=CC=C4Cl","UCAMLCAAUWNCMK-UKTHLTGXSA-N",5469510,NA,"PDBC47827","689278","Present",NA,NA
+"47828","NSC689279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689279",NA,"C1C(=CC2=CC=C(C=C2)F)C3=C(CO1)C(N4C(=O)CSC4=N3)C5=CC=C(C=C5)F","VJVPBUBRMDUAHH-OQLLNIDSSA-N",5469511,NA,"PDBC47828","689279","Present",NA,NA
+"47829","NSC689280",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689280",NA,"C1C(=CC2=CC=C(C=C2)Br)C3=C(CO1)C(N4C(=O)CSC4=N3)C5=CC=C(C=C5)Br","IXSBTZITRUKILT-OQLLNIDSSA-N",5469512,NA,"PDBC47829","689280","Present",NA,NA
+"47830","NSC689283",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689283",NA,"C1C(=CC2=CC=CC=C2Cl)C3=NC(=NC(=C3CO1)C4=CC=CC=C4Cl)N","OCYLMYFNCRTHHP-UKTHLTGXSA-N",5469515,NA,"PDBC47830","689283","Present",NA,NA
+"47831","NSC689284",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689284",NA,"C1C(=CC2=CC=C(C=C2)F)C3=NC(=O)NC(=C3CO1)C4=CC=C(C=C4)F","QVGUSMUTTOGADR-NTEUORMPSA-N",5469516,NA,"PDBC47831","689284","Present",NA,NA
+"47832","NSC689286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689286",NA,"C1C(=CC2=CC(=CC=C2)Cl)C3=NC(=O)NC(=C3CO1)C4=CC(=CC=C4)Cl","SPQVKXWSNDGWKA-VGOFMYFVSA-N",5469518,NA,"PDBC47832","689286","Present",NA,NA
+"47833","NSC689531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689531",NA,"C1=CC=C(C=C1)C(=NNC(=S)NCCC2=CC=CC=N2)C3=CC=CC=N3","HCWGGXUHVCIBHX-LYBHJNIJSA-N",9571616,NA,"PDBC47833","689531","Present",NA,NA
+"47834","NSC689535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689535",NA,"CC(=NNC(=S)N(C)CCC1=CC=CC=N1)C2=NC=CN=C2","XOBZUWSLRXMZNN-UNOMPAQXSA-N",5481307,NA,"PDBC47834","689535","Present",NA,NA
+"47835","NSC689538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689538",NA,"CC(=O)NC1=CC=C(C=C1)C=NNC(=S)NC2=CC=C(C=C2)OC","GLFXYPNFSKVAJD-WQRHYEAKSA-N",5843026,NA,"PDBC47835","689538","Present",NA,NA
+"47836","NSC689594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689594",NA,"C1C(C2=C(C1=O)C(=C(S2)Cl)Cl)N.Cl","CWRYOLSQFATAEA-UHFFFAOYSA-N",391053,NA,"PDBC47836","689594","Present",NA,NA
+"47837","NSC689595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689595",NA,"C1C(C2=C(C1=O)C(=CS2)Br)N.Cl","VHKANUAGQXRHJP-UHFFFAOYSA-N",391055,NA,"PDBC47837","689595","Present",NA,NA
+"47838","NSC689596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689596",NA,"C1C(C2=C(C1=O)C=C(S2)Br)N.Cl","GAWOYLNSAUGNNC-UHFFFAOYSA-N",391057,NA,"PDBC47838","689596","Present",NA,NA
+"47839","NSC689597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689597",NA,"C12C(C(=NO)C3=C(SC(=C31)Cl)Cl)OC(=O)N2","JOJCHZLYMZDBFD-QXVXGZDQSA-N",9572016,NA,"PDBC47839","689597","Present",NA,NA
+"47840","NSC689598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689598",NA,"CC1=CC2=C(S1)C(CC2=O)N.Cl","QJFYLYMCPPQDPG-UHFFFAOYSA-N",391060,NA,"PDBC47840","689598","Present",NA,NA
+"47841","NSC689599",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689599",NA,"C1C(C2=C(C1=O)SC(=C2)I)N.Cl","DHAHDFKYQHEISZ-UHFFFAOYSA-N",391062,NA,"PDBC47841","689599","Present",NA,NA
+"47842","NSC689600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689600",NA,"C1C(C2=C(SC(=C2C1=O)I)I)N.Cl","CSZDHARYNRQHFA-UHFFFAOYSA-N",391064,NA,"PDBC47842","689600","Present",NA,NA
+"47843","NSC689601",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689601",NA,"C1C(C2=C(SC=C2C1=O)Br)N.Cl","RWXAUAOLYWHNCJ-UHFFFAOYSA-N",391066,NA,"PDBC47843","689601","Present",NA,NA
+"47844","NSC689603",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689603",NA,"C12C(C3=C(SC(=C3C1O)Cl)Cl)NC(=O)O2","SGJYEIIBAFYVAY-LMVFSUKVSA-N",5469537,NA,"PDBC47844","689603","Present",NA,NA
+"47845","NSC689609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689609",NA,"CCOC(=O)C1C2C3=CC=CC=C3OC1(NC(=O)N2)C","PRBINTYBUYEJNZ-WDMOLILDSA-N",391075,NA,"PDBC47845","689609","Present",NA,NA
+"47846","NSC689610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689610",NA,"CC12C(C(C3=CC=CC=C3O1)NC(=S)N2)C(=O)OC","IORKJGJPARDVOZ-CWSCBRNRSA-N",748488,NA,"PDBC47846","689610","Present",NA,NA
+"47847","NSC689611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689611",NA,"CC12CC(C3=CC=CC=C3O1)N4CC5=CC=CC=C5CSC4=N2.Br","ZVCIDZHFEPLOIZ-QSVLQNJRSA-N",391077,NA,"PDBC47847","689611","Present",NA,NA
+"47848","NSC689612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689612",NA,"CC12CC(C3=CC=CC=C3O1)N4CCSC4=N2.Br","FCHVPBUGFMSOEW-VVBGOIRUSA-N",391079,NA,"PDBC47848","689612","Present",NA,NA
+"47849","NSC689613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689613",NA,"CC12CC(C3=CC=CC=C3O1)N4CCCSC4=N2.Br","UDTLWFNJPMMKAP-XCBLFTOQSA-N",391081,NA,"PDBC47849","689613","Present",NA,NA
+"47850","NSC689614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689614",NA,"CC12CC(C3=CC=CC=C3O1)N4CCCCSC4=N2.Br","DVESPMBZKVLKMD-NXCSSKFKSA-N",391083,NA,"PDBC47850","689614","Present",NA,NA
+"47851","NSC689619",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689619",NA,"CCC1C(C(=O)N1C(C)C2=CC=CC=C2)NC(=O)OC","DCKCSFPCQOLPRX-PKSQDBQZSA-N",6712466,NA,"PDBC47851","689619","Present",NA,NA
+"47852","NSC689620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689620",NA,"CC(CCC1=NCCN1)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C","OIWWZBNLXIPEMI-GBURMNQMSA-N",391085,NA,"PDBC47852","689620","Present",NA,NA
+"47853","NSC689621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689621",NA,"CC(CCC1=NCCN1)C2CCC3C2(CCC4C3C(CC5C4(CCC(C5)O)C)O)C","DAXBTXDFKFXYMB-BJLOMENOSA-N",391086,NA,"PDBC47853","689621","Present",NA,NA
+"47854","NSC689622",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689622",NA,"CC(CCC1=NCCN1)C2CCC3C2(C(CC4C3CCC5C4(CCC(C5)O)C)O)C","MDLXDLFCBWIBEG-VAYUFCLWSA-N",391087,NA,"PDBC47854","689622","Present",NA,NA
+"47855","NSC689715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689715",NA,"CC1=C(C(C(C2(N1C(CS2)C(=O)O)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC","OUEDJYLVGKMFFG-PEMDQYIBSA-N",391097,NA,"PDBC47855","689715","Present",NA,NA
+"47856","NSC689716",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689716",NA,"CC1=C(C(C(C2(N1C(CO2)C(=O)O)C)C(=O)OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OC","XAYUVMLLMIQBLD-PEMDQYIBSA-N",391098,NA,"PDBC47856","689716","Present",NA,NA
+"47857","NSC689731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689731",NA,"C(#N)C1=C(C(=NC1=C(C#N)C(C#N)C#N)N)C#N.[Na+]","CEUIJBSHWBLMHV-VEZAGKLZSA-N",54608725,NA,"PDBC47857","689731","Present",NA,NA
+"47858","NSC689736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689736",NA,"CC1C2=CC(=C3C(=C2O)CN(CO3)C(C)C4CCCCC4)C(C5=CC(=C6C(=C5O)CN(CO6)C(C)C7CCCCC7)C(C8=CC(=C9C(=C8O)CN(CO9)C(C)C2CCCCC2)C(C2=CC1=C1C(=C2O)CN(CO1)C(C)C1CCCCC1)C)C)C","GCZLWHULBKTYAR-JGSZSMOZSA-N",391118,NA,"PDBC47858","689736","Present",NA,NA
+"47859","NSC689737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689737",NA,"COC(=O)C12CC(NC1(CSC2)C(=O)OC)C3=CC=CC=C3O","NRVMNSATJPNWOR-HFBAOOFYSA-N",391119,NA,"PDBC47859","689737","Present",NA,NA
+"47860","NSC689966",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689966",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C=CC(=O)C2=CC(=C(C=C2)Cl)Cl.Cl","AHTQSZVPBSKCAO-HAAWTFQLSA-N",6519525,NA,"PDBC47860","689966","Present",NA,NA
+"47861","NSC689967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC689967",NA,"CN(C)CC1=CC(=CC(=C1O)CN(C)C)C=CC(=O)C2=CC=C(C=C2)Br.Cl","YHBBZRJKWYBMEW-OAZHBLANSA-N",6519527,NA,"PDBC47861","689967","Present",NA,NA
+"47862","NSC690013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690013",NA,"CCC1=C(C(=C(C(=C1CNC2=NCCN2)CC)CNC3=NCCN3)CC)CNC4=NCCN4.Cl","PDRWZQGNJBLLKV-UHFFFAOYSA-N",391170,NA,"PDBC47862","690013","Present",NA,NA
+"47863","NSC690014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690014",NA,"CCC1=C(C(=C(C(=C1CNC2=NCCN2)CC)CNC3=NCCN3)CC)CN.Cl","RFFTXSAVKZDCDJ-UHFFFAOYSA-N",391172,NA,"PDBC47863","690014","Present",NA,NA
+"47864","NSC690015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690015",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CN)N","MNQDARLYRXOMEL-UHFFFAOYSA-N",391174,NA,"PDBC47864","690015","Present",NA,NA
+"47865","NSC690017",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690017",NA,"CN(C)C1=[N+]2C=CC=CC2=C3N1C4=C(C=C(C=C4)[N+](=O)[O-])N5C3=C6C=CC=C[N+]6=C5N(C)C.[O-]Cl(=O)(=O)=O","RWQPTYCLKWOIEF-UHFFFAOYSA-M",5469554,NA,"PDBC47865","690017","Present",NA,NA
+"47866","NSC690022",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690022",NA,"C1=CC=C(C=C1)CNCCCCNCCCNCC2=CC=CC=C2.C(=O)(C(F)(F)F)O","JHLBZLSTCZKIRK-UHFFFAOYSA-N",391187,NA,"PDBC47866","690022","Present",NA,NA
+"47867","NSC690129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690129",NA,"CCOC(=O)CON=CC1=CC(=O)C2CC1C2(C)C","KLTWOVVNRHJQKX-CHHVJCJISA-N",5897298,NA,"PDBC47867","690129","Present",NA,NA
+"47868","NSC690130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690130",NA,"CC1(C2CC1C(=O)C=C2C=NOCC(=O)O)C","SBBOGLWDNWHTEZ-ACAGNQJTSA-N",6285115,NA,"PDBC47868","690130","Present",NA,NA
+"47869","NSC690239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690239",NA,"CC(C)(C)C(=CC1=NC2=C(C=C(C=C2)C(F)(F)F)NC1=O)O","ZKRIKXLWKPJNLG-KPKJPENVSA-N",135505144,NA,"PDBC47869","690239","Present",NA,NA
+"47870","NSC690240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690240",NA,"CC(C)(C)C(=CC1=NC2=C(C=CC(=C2)C(F)(F)F)NC1=O)O","ZSLWPXWMYZMLPX-KPKJPENVSA-N",135419214,NA,"PDBC47870","690240","Present",NA,NA
+"47871","NSC690241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690241",NA,"C1CNC(=NC1)NN=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=NNC5=NCCCN5.Br","GMYUMVKMNWOZJL-UREBWWIWSA-N",9556303,NA,"PDBC47871","690241","Present",NA,NA
+"47872","NSC690242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690242",NA,"C1CN=C(N1)NN=CC=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=CC=NNC5=NCCN5.Br","FEUVWDUYZKJBEG-TXBIEYPQSA-N",9615094,NA,"PDBC47872","690242","Present",NA,NA
+"47873","NSC690243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690243",NA,"C1CNC(=NC1)NN=CC=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=CC=NNC5=NCCCN5.Br","IMHYYRDPXALQSB-HOGJAAFJSA-N",54608530,NA,"PDBC47873","690243","Present",NA,NA
+"47874","NSC690244",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690244",NA,"C1CCN(C1)C(=N)C2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C(=N)N5CCCC5.Cl","SOLKGJIVPSTNTO-UHFFFAOYSA-N",391288,NA,"PDBC47874","690244","Present",NA,NA
+"47875","NSC690245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690245",NA,"C1CCN(C1)C(=N)C=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=CC(=N)N5CCCC5.Cl","BGBCYKAGSVZTIX-MAJATJPUSA-N",6519548,NA,"PDBC47875","690245","Present",NA,NA
+"47876","NSC690246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690246",NA,"C1COCCN1C(=N)C=CC2=CC=C(C=C2)C3=CN4C=C(C=CC4=N3)C=CC(=N)N5CCOCC5.Cl","WBZXXFWSIZBNKB-YOJCZTQYSA-N",6519549,NA,"PDBC47876","690246","Present",NA,NA
+"47877","NSC690248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690248",NA,"C1=CN=CC=C1C(=O)NN=CC2=CC=C(S2)[N+](=O)[O-]","DMFJZTYHTIMPQK-QPEQYQDCSA-N",5424902,NA,"PDBC47877","690248","Present",NA,NA
+"47878","NSC690249",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690249",NA,"CC1=CC=C(S1)C=NNC(=O)C2=CC=NC=C2","PWAZOSYCMVBHKQ-ZSOIEALJSA-N",5539246,NA,"PDBC47878","690249","Present",NA,NA
+"47879","NSC690387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690387",NA,"C[N+](C)(CC1=CC=CC=C1[N+](=O)[O-])C2=CC3=C(C=C2)C(CN3C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl.[Cl-]","BNAXYQNASDSGRN-UHFFFAOYSA-N",391358,NA,"PDBC47879","690387","Present",NA,NA
+"47880","NSC690388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690388",NA,"C[N+](C)(CC1=CC=C(C=C1)[N+](=O)[O-])C2=CC3=C(C=C2)C(CN3C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl.[Cl-]","BIDUIBVHECYPDS-UHFFFAOYSA-N",391360,NA,"PDBC47880","690388","Present",NA,NA
+"47881","NSC690392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690392",NA,"CC(=O)OC(C1=CC2=C(C=C1)OCO2)C(COC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)Br","WFDBRRZWCTWBOE-WGSRRJMCSA-N",5469582,NA,"PDBC47881","690392","Present",NA,NA
+"47882","NSC690393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690393",NA,"CC1(C(CC(O1)N2C=NC3=CN=CN=C32)O)CO","QKZPASHLIBOARS-UHFFFAOYSA-N",391363,NA,"PDBC47882","690393","Present",NA,NA
+"47883","NSC690398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690398",NA,"CC1=C(CN2CC=C(C1C2)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4S(=O)(=O)O)OC)OC","AJRJLOQSWBKZCW-IBGZPJMESA-N",6712469,NA,"PDBC47883","690398","Present",NA,NA
+"47884","NSC690402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690402",NA,"CCOC(=O)C1C(N(OC1(C2=CC=CC=C2)C(F)(F)F)C)C3=CC=CC=C3","GBGLXQDOGHCYJD-YQVWRLOYSA-N",391367,NA,"PDBC47884","690402","Present",NA,NA
+"47885","NSC690442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690442",NA,NA,NA,NA,NA,"PDBC47885","690442","Present",NA,NA
+"47886","NSC690573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690573",NA,"CN(C)C=NC1=C2C(=CN=N1)NC=N2","TZEWFVURVAKWCP-WZUFQYTHSA-N",6412960,NA,"PDBC47886","690573","Present",NA,NA
+"47887","NSC690734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690734",NA,"CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C(=O)C1=CC3=CC(=C(C(=C3)OC)OC)OC","NISOQKGHYYAZDL-ROUMAOROSA-N",5469601,NA,"PDBC47887","690734","Present",NA,NA
+"47888","NSC690735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690735",NA,"CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C1C(NC(=S)N3)C4=CC(=C(C(=C4)OC)OC)OC","KPSPVCBGPILKFW-LICLKQGHSA-N",5469602,NA,"PDBC47888","690735","Present",NA,NA
+"47889","NSC690736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690736",NA,"CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C1C(N4C(=O)C(=CC5=CC=C(C=C5)Cl)SC4=N3)C6=CC(=C(C(=C6)OC)OC)OC","BDXKDFAGTHNJAG-ASTBYMRTSA-N",6381852,NA,"PDBC47889","690736","Present",NA,NA
+"47890","NSC690737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690737",NA,"CC1CCC(=CC2=CC=C(C=C2)Cl)C(=O)C1=CC3=CC=C(C=C3)Cl","OMLHTHDNMOEJMF-CKDUKDRZSA-N",6186635,NA,"PDBC47890","690737","Present",NA,NA
+"47891","NSC690739",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690739",NA,"CC1CCCC2=C1C(N3C(=O)C(=CC4=CC=C(C=C4)Cl)SC3=N2)C5=CC=C(C=C5)Cl","GABSYHKVFPHDHM-MOSHPQCFSA-N",6310187,NA,"PDBC47891","690739","Present",NA,NA
+"47892","NSC690740",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690740",NA,"CC1CCCC2=C1C(N3C(=O)C(=CC4=CC(=C(C(=C4)OC)OC)OC)SC3=N2)C5=CC=C(C=C5)Cl","JZODYZUZBYELQH-HMAPJEAMSA-N",6164872,NA,"PDBC47892","690740","Present",NA,NA
+"47893","NSC690741",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690741",NA,"CC1CCC(=CC2=CC=C(C=C2)F)C(=O)C1=CC3=CC=C(C=C3)F","UEYYHMGQSHKMPJ-BHYNAFRYSA-N",54611915,NA,"PDBC47893","690741","Present",NA,NA
+"47894","NSC690742",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690742",NA,"CC1CCC(=CC2=CC=C(C=C2)F)C3=C1C(NC(=S)N3)C4=CC=C(C=C4)F","PMEASLWSSKNFEF-FOWTUZBSSA-N",5469605,NA,"PDBC47894","690742","Present",NA,NA
+"47895","NSC690743",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690743",NA,"CC1CCC(=CC2=CC=C(C=C2)F)C3=C1C(N4C(=O)CSC4=N3)C5=CC=C(C=C5)F","XXQCGJLVUBZNPV-SFQUDFHCSA-N",5469606,NA,"PDBC47895","690743","Present",NA,NA
+"47896","NSC690744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690744",NA,"CC1CCC(=CC2=CC=C(C=C2)F)C3=C1C(N4C(=O)C(=CC5=CC=C(C=C5)Cl)SC4=N3)C6=CC=C(C=C6)F","ORPGLXPHWAVYTL-YEIPUROZSA-N",5863616,NA,"PDBC47896","690744","Present",NA,NA
+"47897","NSC690745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690745",NA,"CC1CCC(=CC2=CC=C(C=C2)F)C3=C1C(N4C(=O)C(=CC5=CC(=CC=C5)Br)SC4=N3)C6=CC=C(C=C6)F","GTDOXZJBYJYBKL-CGUSJSPHSA-N",54608517,NA,"PDBC47897","690745","Present",NA,NA
+"47898","NSC690746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690746",NA,"CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C(=O)C1=CC3=CC(=C(C=C3)OC)OC","FNEHNMVDEJMKOR-KVOOEGMKSA-N",5469609,NA,"PDBC47898","690746","Present",NA,NA
+"47899","NSC690747",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690747",NA,"CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C3=C1C(NC(=S)N3)C4=CC(=C(C=C4)OC)OC","GURFECTXWZXOPD-SFQUDFHCSA-N",5469610,NA,"PDBC47899","690747","Present",NA,NA
+"47900","NSC690748",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690748",NA,"CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C3=C1C(N4C(=O)C(=CC5=CC(=CC=C5)Br)SC4=N3)C6=CC(=C(C=C6)OC)OC","ZZFKHBIAJUPBAB-XSDSYVGVSA-N",5852319,NA,"PDBC47900","690748","Present",NA,NA
+"47901","NSC690749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690749",NA,"CC1CCC(=CC2=CC=C(C=C2)N(C)C)C(=O)C1=CC3=CC=C(C=C3)N(C)C","YMXPRDWDPVCOMZ-HCNAOXRDSA-N",5469612,NA,"PDBC47901","690749","Present",NA,NA
+"47902","NSC690753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690753",NA,"CC1CCC(=CC2=CC=C(C=C2)Cl)C3=C1C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)Cl","CZCCOGFLWHSCNZ-SFQUDFHCSA-N",5469614,NA,"PDBC47902","690753","Present",NA,NA
+"47903","NSC690755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690755",NA,"CC1CCC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C1C(=C(C(=N3)N)C#N)C4=CC(=C(C(=C4)OC)OC)OC","HRDIXVDXJQRULA-VCHYOVAHSA-N",5469615,NA,"PDBC47903","690755","Present",NA,NA
+"47904","NSC690756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690756",NA,"CC1CCC(=CC2=CC=C(C=C2)Cl)C3C1=C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl","FHIISUZUVFBAAZ-SFQUDFHCSA-N",5469616,NA,"PDBC47904","690756","Present",NA,NA
+"47905","NSC690761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690761",NA,"CC1CCC(=CC2=CC(=C(C=C2)OC)OC)C3C1=C(C(=C(O3)N)C#N)C4=CC(=C(C=C4)OC)OC","NHTZNOQMXDOAAM-XDHOZWIPSA-N",5469618,NA,"PDBC47905","690761","Present",NA,NA
+"47906","NSC690765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690765",NA,"C1C(CN(C1C(=O)O)C(=O)OCC2=CC=CC=C2)O","WWVCWLBEARZMAH-MNOVXSKESA-N",391517,NA,"PDBC47906","690765","Present",NA,NA
+"47907","NSC690766",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690766",NA,"COC(=O)C1CC(CN1C(=O)OCC2=CC=CC=C2)[Se]C3=CC=CC=C3","HCJAVQAGTRJKMS-ROUUACIJSA-N",391518,NA,"PDBC47907","690766","Present",NA,NA
+"47908","NSC690767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690767",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC(CC2C(=O)OC)[Se]C3=CC=CC=C3","XRXKFSPYNUHJGU-ROUUACIJSA-N",391519,NA,"PDBC47908","690767","Present",NA,NA
+"47909","NSC690768",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690768",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC=CC2C(=O)OC","NREMJEDMQAZGGX-LBPRGKRZSA-N",391520,NA,"PDBC47909","690768","Present",NA,NA
+"47910","NSC690769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690769",NA,"CC1(OC2CN(C(C2O1)C(=O)OC)C(=O)OCC3=CC=CC=C3)C","FNQXFHRFMVDNGW-MOKVOYLWSA-N",391521,NA,"PDBC47910","690769","Present",NA,NA
+"47911","NSC690786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690786",NA,"CCOC(=O)CN1C(=CC(=O)OCC)C2=CC=CC=C2C1=O","IIFSRHMPVVEEKZ-UKTHLTGXSA-N",10425054,NA,"PDBC47911","690786","Present",NA,NA
+"47912","NSC690788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690788",NA,"CC(C)(C)C1CCC2(C(C1)(CCCO)O)OCCO2","ZZZOXMYXWISZIK-JSGCOSHPSA-N",391538,NA,"PDBC47912","690788","Present",NA,NA
+"47913","NSC690790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690790",NA,"CCOC(=O)N1N=C(C(S1=O)C)C(=NOC)C","OGKIMYMBKADXIC-IZZDOVSWSA-N",5466433,NA,"PDBC47913","690790","Present",NA,NA
+"47914","NSC690945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690945",NA,"CN(C)C1=CC=C(C=C1)C=C(C(=O)NCC(=O)O)NC(=O)C2=CC=CC=C2","XOCOOJZYVKKURB-ATVHPVEESA-N",20834552,NA,"PDBC47914","690945","Present",NA,NA
+"47915","NSC690958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC690958",NA,"CCSC1=NC(=CC2=CC=CC=C2O)C(=O)N1","RLDBYMQMPJIPSX-VQHVLOKHSA-N",135505146,NA,"PDBC47915","690958","Present",NA,NA
+"47916","NSC691020",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691020",NA,"CC1C([Si](OC1N2CCCC2)(C(C)(C)C)C(C)(C)C)C","AXDDVSSEDQRZFC-RBSFLKMASA-N",6712473,NA,"PDBC47916","691020","Present",NA,NA
+"47917","NSC691021",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691021",NA,"CC1C([Si](OC1OC(=O)C)(C(C)(C)C)C(C)(C)C)C","VJMCHCTZFDFTKS-NQBHXWOUSA-N",6712474,NA,"PDBC47917","691021","Present",NA,NA
+"47918","NSC691022",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691022",NA,"CC1C([Si](OC1CC=C)(C(C)(C)C)C(C)(C)C)C","JGTYRFHNCRSKEH-MGPQQGTHSA-N",391575,NA,"PDBC47918","691022","Present",NA,NA
+"47919","NSC691023",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691023",NA,"CC1C([Si](OC1C2=CC=CC=C2)(C(C)(C)C)C(C)(C)C)C","CEOGHEIKHRDGIT-BLBXNVQISA-N",391576,NA,"PDBC47919","691023","Present",NA,NA
+"47920","NSC691076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691076",NA,"C1=CC=C(C(=C1)C=NN2C(=O)C3=CC=CC=C3NC2=O)O","KAFIDOQQCAYOMG-SXGWCWSVSA-N",135505148,NA,"PDBC47920","691076","Present",NA,NA
+"47921","NSC691086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691086",NA,"CCOC(=O)C(=NNC1=CC=C(C=C1)N2C(=NC3=CC=CC=C3C2=O)C)C#N","GPNWXXILFDZSAE-MOHJPFBDSA-N",5466438,NA,"PDBC47921","691086","Present",NA,NA
+"47922","NSC691087",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691087",NA,"CCOC(=O)C(=NNC1=CC=C(C=C1)N2C(=NC3=C(C2=O)C=C(C=C3)Br)C)C#N","DSCSLGSXQXLVSS-BWAHOGKJSA-N",5466439,NA,"PDBC47922","691087","Present",NA,NA
+"47923","NSC691089",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691089",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NN2C(=O)C3=CC=CC=C3NC2=O","DDQWEZWFBDRJBL-UHFFFAOYSA-N",391605,NA,"PDBC47923","691089","Present",NA,NA
+"47924","NSC691091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691091",NA,"CC(=O)OCC1C(C(C(C(O1)NC(=S)NN2C(=O)C3=CC=CC=C3NC2=O)OC(=O)C)OC(=O)C)OC(=O)C","JPVGMGIERKZJJG-UHFFFAOYSA-N",3596514,NA,"PDBC47924","691091","Present",NA,NA
+"47925","NSC691095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691095",NA,"C1=CC=C2C(=C1)C(=O)NC(=N2)NN=CC(=NNC3=NC4=CC=CC=C4C(=O)N3)C(C(C(CO)O)O)O","PCCSGRWGPDJRMM-VMXCISLASA-N",135505151,NA,"PDBC47925","691095","Present",NA,NA
+"47926","NSC691096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691096",NA,"C1=CC=C2C(=C1)C(=O)NC(=N2)NN=CC(C(C(C(CO)O)O)O)O","ABFPWGAYLOTXPD-WCSRMQSCSA-N",135505152,NA,"PDBC47926","691096","Present",NA,NA
+"47927","NSC691097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691097",NA,"CC(=O)OCC(C(C(=NNC1=NC2=CC=CC=C2C(=O)N1)C=NNC3=NC4=CC=CC=C4C(=O)N3)OC(=O)C)OC(=O)C","YRJMEBHJYJVXBJ-WDGJNDLCSA-N",135505153,NA,"PDBC47927","691097","Present",NA,NA
+"47928","NSC691098",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691098",NA,"CC(=O)OCC(C(C(C(=NNC1=NC2=CC=CC=C2C(=O)N1)C=NNC3=NC4=CC=CC=C4C(=O)N3)OC(=O)C)OC(=O)C)OC(=O)C","SLRYXMMYHBACJG-JOBPGMOCSA-N",135505154,NA,"PDBC47928","691098","Present",NA,NA
+"47929","NSC691101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691101",NA,"CC(=O)OCC(C(C(C(C=NNC1=NC2=CC=CC=C2C(=O)N1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","NXQAIXRQWKUENK-MRUKODCESA-N",135505155,NA,"PDBC47929","691101","Present",NA,NA
+"47930","NSC691116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691116",NA,"CN(C)C(=O)N1C(C(N1)C2=CC=CC=C2)C3=CC=CC=C3","DRFWDUPHRIKCAZ-CVEARBPZSA-N",391630,NA,"PDBC47930","691116","Present",NA,NA
+"47931","NSC691120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691120",NA,"COC1=CC=C(C=C1)C=NN2CC(=O)N3C4CCC(N3C2=O)C=C4","NXVLKHNSUMCWHB-ZDLGFXPLSA-N",6079065,NA,"PDBC47931","691120","Present",NA,NA
+"47932","NSC691194",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691194",NA,"COC(C1=CC=CC=C1)(C2=NC(=C(O2)N)C#N)C(F)(F)F","HDMNANRJXCXDGG-LBPRGKRZSA-N",391650,NA,"PDBC47932","691194","Present",NA,NA
+"47933","NSC691196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691196",NA,"CC12CCC3C(C1CCC2O)CCC4=CC(=NOCCN(C)C)CCC34C","DINRPIYOQFAGEB-DNBCDTIGSA-N",9572024,NA,"PDBC47933","691196","Present",NA,NA
+"47934","NSC691197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691197",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NOCCN(C)C)CCC34C)C.C(=O)(C(=O)O)O","DPMINXZZCHAIMZ-SOBCQDPTSA-N",9572025,NA,"PDBC47934","691197","Present",NA,NA
+"47935","NSC691198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691198",NA,"CC12CCC3C(C1CCC2O)CCC4=CC(=NOCCN5CCCCC5)CCC34C.C(=O)(C(=O)O)O","LOKUCZITSQVEOE-TZNZGDNVSA-N",9572026,NA,"PDBC47935","691198","Present",NA,NA
+"47936","NSC691201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691201",NA,"CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=NC5=CC=CC=C5S4)N","XMXNSZMAJLCIBW-CQSZACIVSA-N",6712476,NA,"PDBC47936","691201","Present",NA,NA
+"47937","NSC691204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691204",NA,"CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=N4)N","FSLZYYGUKOWGJO-AWEZNQCLSA-N",6712477,NA,"PDBC47937","691204","Present",NA,NA
+"47938","NSC691208",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691208",NA,"CC(C1=CC=CC=C1)N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C#N)N","WUZZAONJWVSAAW-NSHDSACASA-N",6712478,NA,"PDBC47938","691208","Present",NA,NA
+"47939","NSC691217",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691217",NA,"C1=CC=C(C(=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3N2)F","GLWKLILVKWEEEZ-LLVKDONJSA-N",6712479,NA,"PDBC47939","691217","Present",NA,NA
+"47940","NSC691224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691224",NA,"C1=CN(C(=O)N=C1N)CCCCCCOC(=O)NC(CCCN=C(N)N)C(=O)O","QPAGTASKPGGWBJ-UHFFFAOYSA-N",391682,NA,"PDBC47940","691224","Present",NA,NA
+"47941","NSC691225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691225",NA,"CC1=CN(C(=O)NC1=O)CCOCCOC(=O)NC(CCCN=C(N)N)C(=O)O","FAKZIUCYEWOIKQ-UHFFFAOYSA-N",391683,NA,"PDBC47941","691225","Present",NA,NA
+"47942","NSC691240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691240",NA,"CN(C)CCNC(=O)C1=CC=CC2=C(C3=C(C(=CC=C3)OC)N=C21)N.Cl","YJTCCBBHOHNIBN-UHFFFAOYSA-N",391694,NA,"PDBC47942","691240","Present",NA,NA
+"47943","NSC691241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691241",NA,"CN(C)CCNC1=C2C=CC=C(C2=NC3=CC=CC=C31)C(=O)NCCN(C)C.Cl","KCCWTVAHZZQQED-UHFFFAOYSA-N",391695,NA,"PDBC47943","691241","Present",NA,NA
+"47944","NSC691246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691246",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=CC=CC=C4[N+](=O)[O-])N.[Cl-]","GOEHAMMIGNTNOV-UHFFFAOYSA-N",391701,NA,"PDBC47944","691246","Present",NA,NA
+"47945","NSC691247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691247",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](C)(C)CC4=CC=C(S4)[N+](=O)[O-])N.[Cl-]","VUXQKSQNJJPNNO-UHFFFAOYSA-N",391703,NA,"PDBC47945","691247","Present",NA,NA
+"47946","NSC691272",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691272",NA,"CCN1CCC(C(C1)C(=O)C=CC2=C(C=C(C=C2)C)C)(C=CC3=C(C=C(C=C3)C)C)O.Cl","PWNJBUFCYPIPPA-YMSVKFOGSA-N",5469645,NA,"PDBC47946","691272","Present",NA,NA
+"47947","NSC691274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691274",NA,"CCN1CCC(C(C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)[N+](=O)[O-])O.Cl","GVECWRORPOSGBJ-UHFFFAOYSA-N",391727,NA,"PDBC47947","691274","Present",NA,NA
+"47948","NSC691275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691275",NA,"CCN(CC)CCC(=O)C1=CC=C(C=C1)SC2=CC=C(C=C2)F.Cl","YPVIYFXSGNSAAS-UHFFFAOYSA-N",391729,NA,"PDBC47948","691275","Present",NA,NA
+"47949","NSC691276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691276",NA,"CC[N+]1(CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)Cl)(C=CC3=CC=C(C=C3)Cl)O)C.[I-]","GNPUJVJJEKBFCS-WTAGRPKCSA-M",5469649,NA,"PDBC47949","691276","Present",NA,NA
+"47950","NSC691277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691277",NA,"CC[N+]1(CCC(C(C1)C(=O)C=CC2=CC=C(C=C2)OC)(C=CC3=CC=C(C=C3)OC)O)C.[I-]","NTTXETGDWMNLQL-NUJWFWAESA-M",5469651,NA,"PDBC47950","691277","Present",NA,NA
+"47951","NSC691413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691413",NA,"CC(=NN=C(SC)SC)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2","XKGWMOQBYMNPBB-XMHGGMMESA-N",5466444,NA,"PDBC47951","691413","Present",NA,NA
+"47952","NSC691415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691415",NA,"CCCNC(=S)NN=C(C)C1=CC=C(C=C1)S(=O)(=O)N(C)C2=CC=CC=C2","AFALIXPOCRDOPL-RCCKNPSSSA-N",5466445,NA,"PDBC47952","691415","Present",NA,NA
+"47953","NSC691531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691531",NA,"C1C2C(C(C(O1)C(N2CC3=CC=CC=C3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6","GRLYHEYCUUPLKX-SCPKLDPKSA-N",391868,NA,"PDBC47953","691531","Present",NA,NA
+"47954","NSC691563",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691563",NA,"C1CC2=CC=CC=C2C(=O)C(=CC3=CC=C(C=C3)Br)C1","MKLUVKHXILPJIR-QINSGFPZSA-N",5469697,NA,"PDBC47954","691563","Present",NA,NA
+"47955","NSC691565",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691565",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC(=CC3=CC(=C(C=C3)OC)OC)C2=O","LMGMCXMLKLAHNB-PTNGSMBKSA-N",5469699,NA,"PDBC47955","691565","Present",NA,NA
+"47956","NSC691566",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691566",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O","HIEHREYXEWSKOT-GDNBJRDFSA-N",5469700,NA,"PDBC47956","691566","Present",NA,NA
+"47957","NSC691568",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691568",NA,"CC1=CC2=C(C=C1)S(=O)(=O)CCC(=CC3=CC=C(C=C3)Cl)C2=O","YHQBQKDGJRRVNM-KAMYIIQDSA-N",5469702,NA,"PDBC47957","691568","Present",NA,NA
+"47958","NSC691605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691605",NA,"CC(C)(C)N1C(=O)NN(C1=O)C2C(C3=CC=CC4=C3C2=CC=C4)OC","HGZOSQJTSVAWIO-HOTGVXAUSA-N",391925,NA,"PDBC47958","691605","Present",NA,NA
+"47959","NSC691784",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691784",NA,"CC1=CC=C(C=C1)S(=O)CC(C(F)(F)F)NC2=CC=C(C=C2)OC","BUUFBGKRIPFAJH-YAOANENCSA-N",391995,NA,"PDBC47959","691784","Present",NA,NA
+"47960","NSC691785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691785",NA,"CC1=CC=C(C=C1)S(=O)C(C2=CC=CC=C2)C(C(F)(F)F)NC3=CC=C(C=C3)OC","UIEZMMLBIUZMMX-MDVYPYFFSA-N",391996,NA,"PDBC47960","691785","Present",NA,NA
+"47961","NSC691786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691786",NA,"CC1=CC=C(C=C1)S(=O)C=C(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","FVARZJLAYAUXBL-VBKFSLOCSA-N",5469712,NA,"PDBC47961","691786","Present",NA,NA
+"47962","NSC691802",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691802",NA,"C1=C(SC(=C1)C2=CC=C(S2)CN)CN.Cl","ARFIOJVWCBONCF-UHFFFAOYSA-N",392004,NA,"PDBC47962","691802","Present",NA,NA
+"47963","NSC691842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691842",NA,"CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=NC1=O)C=C(C=C4)OC.Cl","BQBNPPDZHUDNRM-UHFFFAOYSA-N",392043,NA,"PDBC47963","691842","Present",NA,NA
+"47964","NSC691843",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691843",NA,"CN(C)CCN1C=NC2=C3C=C(C=CC3=NC4=C(C=CC1=C42)[N+](=O)[O-])OC.Cl","YARNIAZNWYKFPP-UHFFFAOYSA-N",392045,NA,"PDBC47964","691843","Present",NA,NA
+"47965","NSC691844",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691844",NA,"CN(C)CCCN1C=NC2=C3C=C(C=CC3=NC4=C(C=CC1=C42)[N+](=O)[O-])OC.Cl","RHFQUTBHIRIJCD-UHFFFAOYSA-N",392047,NA,"PDBC47965","691844","Present",NA,NA
+"47966","NSC691845",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691845",NA,"CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])N=C4C=CC(=CC4=C3N(C1=S)CCCN(C)C)OC.Cl","GBUGJHVXQHIVRC-UHFFFAOYSA-N",392049,NA,"PDBC47966","691845","Present",NA,NA
+"47967","NSC691846",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691846",NA,"CN(C)CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])N=C4C=CC(=CC4=C3N(C1=O)CCN(C)C)O.Cl","KVNKUXCPIPXVAD-UHFFFAOYSA-N",392051,NA,"PDBC47967","691846","Present",NA,NA
+"47968","NSC691847",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691847",NA,"CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])N=C4C=CC(=CC4=C3N(C1=O)CCCN(C)C)O.Cl","QWUIQUIMDFRVRS-UHFFFAOYSA-N",392053,NA,"PDBC47968","691847","Present",NA,NA
+"47969","NSC691848",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691848",NA,"CN(C)CCCN1C2=CC=C(C3=NC4=CC=CC=C4C(=C23)N(C1=S)CCCN(C)C)[N+](=O)[O-].Cl","SSKOPPVRIPUKBT-UHFFFAOYSA-N",392055,NA,"PDBC47969","691848","Present",NA,NA
+"47970","NSC691850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691850",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCN4CCNCC4)C(=O)C5=CC=CC=C5N3C1=O.Cl","VPLTWSXBFGMYHB-UHFFFAOYSA-N",392059,NA,"PDBC47970","691850","Present",NA,NA
+"47971","NSC691851",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691851",NA,"CN(C)CCNC1=C2C3=C(C=C1)C(=O)N(C(=O)N3C4=C(C2=O)C=C(C=C4)OC)CCN(C)C.Cl","YTWLGAJXVNNWBZ-UHFFFAOYSA-N",392061,NA,"PDBC47971","691851","Present",NA,NA
+"47972","NSC691877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691877",NA,"CN1C2=CC=CC=C2C3=C4C(=C5C6=CC=CC=C6N(C5=C31)C)C(=O)NC4=O","KHNZAHCUOWJNCL-UHFFFAOYSA-N",392065,NA,"PDBC47972","691877","Present",NA,NA
+"47973","NSC691891",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691891",NA,"CC1CCCCN1CC(=O)C2=CC3=C(C=C2)OC4=CC=CC=C4S3.Br","AXPSXZRKLBBPCH-UHFFFAOYSA-N",392075,NA,"PDBC47973","691891","Present",NA,NA
+"47974","NSC691898",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691898",NA,"C1C(C2=C(SC(=C2C(=O)N1)Cl)Cl)N.Cl","QAYCNPQYUFKEFO-UHFFFAOYSA-N",392084,NA,"PDBC47974","691898","Present",NA,NA
+"47975","NSC691899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691899",NA,"CSC(=[N+]1CCOCC1)CC2=CC3=C(C=C2)OC4=CC=CC=C4S3.[I-]","PFWONBOGRJPPKJ-UHFFFAOYSA-M",392086,NA,"PDBC47975","691899","Present",NA,NA
+"47976","NSC691909",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691909",NA,"COC1=C(C=C(C=C1)C=NN=C(C2=CC=NC=C2)[O-])F.COC1=C(C=C(C=C1)C=NN=C(C2=CC=NC=C2)[O-])F.[Cu+2]","LXHHQNMFMWUSCV-KSWNBSBOSA-L",9572039,NA,"PDBC47976","691909","Present",NA,NA
+"47977","NSC691911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691911",NA,"CC(=NN=C(C1=CC=NC=C1)[O-])C(F)(F)F.CC(=NN=C(C1=CC=NC=C1)[O-])C(F)(F)F.[Ni+2]","AHHBFHAYGPHUGD-SWVZMQQWSA-L",9572041,NA,"PDBC47977","691911","Present",NA,NA
+"47978","NSC691977",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691977",NA,"CC1C=CC(C(=O)CC(C(=C)C(C2C(C(CC2(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)(C)C","DHHVTLZJOAQUPG-HTVYHMIHSA-N",5469741,NA,"PDBC47978","691977","Present",NA,NA
+"47979","NSC691982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691982",NA,"CCSC1=NC(=CC2=CC=CO2)C(=O)N1","XDYAMQJWCFUJOP-VURMDHGXSA-N",135505157,NA,"PDBC47979","691982","Present",NA,NA
+"47980","NSC691983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691983",NA,"CCSC1=NC(=CC2=CC=CO2)C(=N1)NC3=CC=C(C=C3)C","VBZMMBVCBYPUOD-PTNGSMBKSA-N",5469746,NA,"PDBC47980","691983","Present",NA,NA
+"47981","NSC691995",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691995",NA,NA,NA,NA,NA,"PDBC47981","691995","Present",NA,NA
+"47982","NSC692221",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692221",NA,"CC12C3C(C(=O)N(C3=O)C)C(N(C1=O)C)(N(C2=O)C4=CC=CC=C4)SC","RIJCISFWCJRXTE-FVEFGIFQSA-N",392172,NA,"PDBC47982","692221","Present",NA,NA
+"47983","NSC692349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692349",NA,"COC(=O)CC1C(N(C2=CC=CC=C12)C(=O)C(F)(F)F)C3=C(C4=CC=CC=C4N3)CC(=O)OC","QDYXNOGDYCOUPU-OPAMFIHVSA-N",392216,NA,"PDBC47983","692349","Present",NA,NA
+"47984","NSC692350",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692350",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C(C(C3=CC=CC=C32)CC(=O)OC)C4=C(C5=CC=CC=C5N4)CC(=O)OC","MDIKALLRRUYWKL-RNWIMVQKSA-N",392217,NA,"PDBC47984","692350","Present",NA,NA
+"47985","NSC692351",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692351",NA,"CN1C(=O)C(C(C1=O)C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","KQAHOPCCKHMHRW-KDURUIRLSA-N",392218,NA,"PDBC47985","692351","Present",NA,NA
+"47986","NSC692352",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692352",NA,"COC1=CC=C(C=C1)C2OCC3C(O2)C(C(C(O3)OCC4=CC=CC=C4)O)O","BQQPPEZILXNLRW-UPGRXVQDSA-N",392219,NA,"PDBC47986","692352","Present",NA,NA
+"47987","NSC692355",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692355",NA,"CN1C(=O)C2C3C(C4=C(C2C1=O)C5=CC=CC=C5N4)NC6=CC=CC=C36","XSGLDYZSUVFEEQ-RANZSIQMSA-N",392222,NA,"PDBC47987","692355","Present",NA,NA
+"47988","NSC692358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692358",NA,"CN1C(=O)C2C3C(C4=C(C2C1=O)C5=CC=CC=C5N4)N(C6=CC=CC=C36)S(=O)(=O)C(F)(F)F","DQIOJUWUHMMTGC-BMFAXAFESA-N",392225,NA,"PDBC47988","692358","Present",NA,NA
+"47989","NSC692359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692359",NA,"COC(=O)CC1C(NC2=CC=CC=C12)C3=C(C4=CC=CC=C4N3)CC(=O)OC.Cl","CTLOWLUYUODUQL-CQWFHMBZSA-N",392226,NA,"PDBC47989","692359","Present",NA,NA
+"47990","NSC692360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692360",NA,"CC(=O)N1C(C(C2=CC=CC=C21)CC(=O)OC)C3=C(C4=CC=CC=C4N3)CC(=O)OC","SKVAQSDBBWNENV-HOYKHHGWSA-N",392228,NA,"PDBC47990","692360","Present",NA,NA
+"47991","NSC692362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692362",NA,"C1CC2=C(C3C1C4=CC=CC=C4N3)NC5=CC=CC=C25","XHACXRLDOIXWAW-DYVFJYSZSA-N",392230,NA,"PDBC47991","692362","Present",NA,NA
+"47992","NSC692363",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692363",NA,"CC(=O)N1C2C(CCC3=C2NC4=CC=CC=C34)C5=CC=CC=C51","OFAZMWSETIHISN-UZLBHIALSA-N",392231,NA,"PDBC47992","692363","Present",NA,NA
+"47993","NSC692367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692367",NA,"C1CC2=C(C3C1C4=C(N3)C=CC(=C4)Br)NC5=CC=CC=C25","WYIMSVWJWNMLEY-ACJLOTCBSA-N",392235,NA,"PDBC47993","692367","Present",NA,NA
+"47994","NSC692368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692368",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3C(CCC4=C3NC5=CC=CC=C45)C6=CC=CC=C62.CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3C(CCC4=C3NC5=CC=CC=C45)C6=CC=CC=C62","AOFNXWGYCDSPND-PXXYRWOUSA-N",6712485,NA,"PDBC47994","692368","Present",NA,NA
+"47995","NSC692384",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692384",NA,"C1C2C(C(=C3N(C2C4=CC=CC=C4)C5=CC=CC=C5S3)C#N)C(=O)O1","MNCQFQOCEWTPCF-JCGIZDLHSA-N",392248,NA,"PDBC47995","692384","Present",NA,NA
+"47996","NSC692385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692385",NA,"COC1=CC=C(C=C1)C2C3COC(=O)C3C(=C4N2C5=CC=CC=C5S4)C#N","GNSGVAYFCWBUMG-SNRMKQJTSA-N",392249,NA,"PDBC47996","692385","Present",NA,NA
+"47997","NSC692413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692413",NA,"C1=CC=C(C=C1)C(=O)C2=C3C=CC=CN3C4=CC=CC=[N+]42.[Br-]","REKDNKCWYAGDJS-UHFFFAOYSA-M",392273,NA,"PDBC47997","692413","Present",NA,NA
+"47998","NSC692414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692414",NA,"C[N+]1=CN(C2=CC=CC=C21)C3=NC=C(C=C3)[N+](=O)[O-].[I-]","GJDIRQPEZCCGRR-UHFFFAOYSA-M",392275,NA,"PDBC47998","692414","Present",NA,NA
+"47999","NSC692417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692417",NA,"C1=CC=C2C(=C1)N3C=C(C=CC3N2CC(=O)O)N.Br","PYZQWOXGUVNLLH-UHFFFAOYSA-N",392281,NA,"PDBC47999","692417","Present",NA,NA
+"48000","NSC692418",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692418",NA,"CCN(CC)C(=O)C[N+]1=C2C=CC(=CN2C3=CC=CC=C31)N.[Br-]","HCTBAMASLBKJQC-UHFFFAOYSA-M",392283,NA,"PDBC48000","692418","Present",NA,NA
+"48001","NSC692610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692610",NA,"CON=C1C2C=CC(C1N3C(=O)N(C(=O)N3)C4=CC=CC=C4)N5N2C(=O)N(C5=O)C6=CC=CC=C6","XEYIHVBIHFRITF-XIEYBQDHSA-N",5466471,NA,"PDBC48001","692610","Present",NA,NA
+"48002","NSC692656",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692656",NA,"CC12CCC(=NOCCN(C)C)C=C1CCC3C2CCC4(C3CCC4(C#C)O)C","UPLPEMPGTZEHCN-IHIRQGBCSA-N",9572042,NA,"PDBC48002","692656","Present",NA,NA
+"48003","NSC692658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692658",NA,"COC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)NC(CC4=CC=CC=C4)C(=O)O","MYLIUJIJXACQLQ-UHFFFAOYSA-N",392374,NA,"PDBC48003","692658","Present",NA,NA
+"48004","NSC692660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692660",NA,"COC1=CC=C(C=C1)N2C=NC3=C(N=CN=C32)NC(CCSC)C(=O)O","AUSRVTQSFYFCIT-UHFFFAOYSA-N",392376,NA,"PDBC48004","692660","Present",NA,NA
+"48005","NSC692738",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692738",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(C)C)NCCN(C)C.Cl","IMDGOWFSIBTXGN-UHFFFAOYSA-N",392381,NA,"PDBC48005","692738","Present",NA,NA
+"48006","NSC692770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692770",NA,"CNC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)N2CCCC2CO","SJHOXKCNDRAEJK-JTQLQIEISA-N",392406,NA,"PDBC48006","692770","Present",NA,NA
+"48007","NSC692772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692772",NA,"COC(=O)C1CC(CN1C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O","OZONEKRLBNENJU-KCJUWKMLSA-N",392408,NA,"PDBC48007","692772","Present",NA,NA
+"48008","NSC692773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692773",NA,"CNC1=C(C=CC(=C1)N)C(=O)N2CCCC2CO","GOSGFLYGYVXSOZ-JTQLQIEISA-N",392409,NA,"PDBC48008","692773","Present",NA,NA
+"48009","NSC692774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692774",NA,"C1CC(N(C1)C(=O)C2=C(C=C(C=C2)N)N)CO","CKAZSWJIUOUVOM-VIFPVBQESA-N",392410,NA,"PDBC48009","692774","Present",NA,NA
+"48010","NSC692775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692775",NA,"C1CC2C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2C1","QLRLVUVGAUQSGD-JTQLQIEISA-N",392411,NA,"PDBC48010","692775","Present",NA,NA
+"48011","NSC692776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692776",NA,"COCN1C2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N3CCCC3C1=O","DDWXJQSDRWQZNR-NSHDSACASA-N",392412,NA,"PDBC48011","692776","Present",NA,NA
+"48012","NSC692777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692777",NA,"C1CC2C(N(C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)N2C1)C(=O)OCC4=CC=CC=C4)O","NGVOOCVAZCEYHR-UCFFOFKASA-N",392413,NA,"PDBC48012","692777","Present",NA,NA
+"48013","NSC692778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692778",NA,"C1CC2C(=O)NC3=C(C=CC(=C3)N)C(=O)N2C1","RAXSZUBJYAGQTM-JTQLQIEISA-N",392414,NA,"PDBC48013","692778","Present",NA,NA
+"48014","NSC692779",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692779",NA,"COCN1C2=C(C=CC(=C2)N)C(=O)N3CCCC3C1=O","FRGSRLLZHREUOT-NSHDSACASA-N",392415,NA,"PDBC48014","692779","Present",NA,NA
+"48015","NSC692780",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692780",NA,"C1C(CN2C1C(=O)N(C3=CC=CC=C3C2=O)CCCO)O","SUIUMRKCWLHNEG-MFKMUULPSA-N",392416,NA,"PDBC48015","692780","Present",NA,NA
+"48016","NSC693021",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693021",NA,"CN1C2=CC=CC=C2N=C1C(C#N)C(=O)C3=C(C=CC(=C3)O)[N+](=O)[O-]","UYPHAMKUENKBMJ-GFCCVEGCSA-N",6712488,NA,"PDBC48016","693021","Present",NA,NA
+"48017","NSC693022",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693022",NA,"C1=CC=C(C(=C1)C(=O)C(C#N)C2=NC3=CC=CC=C3S2)F","CKUAREVUADKYDU-LLVKDONJSA-N",6712489,NA,"PDBC48017","693022","Present",NA,NA
+"48018","NSC693086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693086",NA,"CC(C)(C)[Si](C)(C)OCC1C(=CC#N)C(C(O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C","BKTNMVOFLGEWND-LFIBNONCSA-N",5469825,NA,"PDBC48018","693086","Present",NA,NA
+"48019","NSC693089",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693089",NA,"CC(C)(C)[Si](C)(C)OC1C(OC(C1=CC#N)N2C=CC(=O)NC2=O)CO","SVYVVRNFTSBWJQ-WDZFZDKYSA-N",5469826,NA,"PDBC48019","693089","Present",NA,NA
+"48020","NSC693090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693090",NA,"CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)C(O2)C(=O)OC","DIOPLPHLHKNLDY-BIIXVAJISA-N",6712492,NA,"PDBC48020","693090","Present",NA,NA
+"48021","NSC693092",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693092",NA,"CC(C)(C)[Si](C)(C)OCC1C2(C(C(O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C)C(O2)C(=O)N","ORAHAOMNMKUNSC-VFOLLXJASA-N",6712493,NA,"PDBC48021","693092","Present",NA,NA
+"48022","NSC693093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693093",NA,"CC(C)(C)[Si](C)(C)OCC1C2(C(O2)CO)C(C(O1)N3C=CC(=O)NC3=O)O[Si](C)(C)C(C)(C)C","RKINMRQIHQOKAQ-WCZGNFLWSA-N",392549,NA,"PDBC48022","693093","Present",NA,NA
+"48023","NSC693129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693129",NA,"C1=CC=C(C=C1)C=C(C(=CC2=CC=CC=C2)[N+](=O)[O-])[N+](=O)[O-]","CDIAVOLAJKVLGQ-JOBJLJCHSA-N",5469831,NA,"PDBC48023","693129","Present",NA,NA
+"48024","NSC693131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693131",NA,"C1=CSC(=C1)C=C(C(=CC2=CC=CS2)[N+](=O)[O-])[N+](=O)[O-]","HXXRASKNKHZSAG-MKICQXMISA-N",5469833,NA,"PDBC48024","693131","Present",NA,NA
+"48025","NSC693133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693133",NA,"CC1=CC(=C(C(=C1)C)C=C(C(=CC2=C(C=C(C=C2C)C)C)[N+](=O)[O-])[N+](=O)[O-])C","OAGDVHFDYSPLNX-XHQRYOPUSA-N",5469835,NA,"PDBC48025","693133","Present",NA,NA
+"48026","NSC693135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693135",NA,"C1CCC(CC1)C=C(C(=CC2CCCCC2)[N+](=O)[O-])[N+](=O)[O-]","USMQPPGXUNIKHS-JOBJLJCHSA-N",5469837,NA,"PDBC48026","693135","Present",NA,NA
+"48027","NSC693136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693136",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCN)OCCCN)C.Cl","NYYYRVJWZTZFPH-UHFFFAOYSA-N",392589,NA,"PDBC48027","693136","Present",NA,NA
+"48028","NSC693137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693137",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCCCN)OCCCN)C.Cl","RYQMBFZQXUJRDF-UHFFFAOYSA-N",392591,NA,"PDBC48028","693137","Present",NA,NA
+"48029","NSC693139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693139",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCCN)OCCCN)C.Cl","WTVPZVKVBKGWFB-UHFFFAOYSA-N",392595,NA,"PDBC48029","693139","Present",NA,NA
+"48030","NSC693141",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693141",NA,"COC1=C(C=C2C(=C1)CCN=C2CC3=CC(=C(C=C3CCCl)OC)OC)OC.Cl","SENFFVDNFQWNOA-UHFFFAOYSA-N",392598,NA,"PDBC48030","693141","Present",NA,NA
+"48031","NSC693142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693142",NA,"COC1=CC2=C(C=C1)C(=NCC2)CC3=CC(=C(C=C3CCCl)OC)OC.Cl","ISCFRZQGVSCTFW-UHFFFAOYSA-N",392600,NA,"PDBC48031","693142","Present",NA,NA
+"48032","NSC693143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693143",NA,"COC1=C(C=C2C(=C1)CC[N+]3=CC4=CC=CC=C4C=C23)OC.[Cl-]","ZVVODOOPMLULIJ-UHFFFAOYSA-M",392602,NA,"PDBC48032","693143","Present",NA,NA
+"48033","NSC693207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693207",NA,"CCOC(=CC(=O)OCC)C1C(C1C(=O)C2=CC=C(C=C2)Cl)C(=CC(=O)OCC)OCC","ACUAXXWAUOZMQY-JXDHQTSCSA-N",5469838,NA,"PDBC48033","693207","Present",NA,NA
+"48034","NSC693208",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693208",NA,"CCOC(=CC(=O)OCC)C1C(C1C(=O)C2=CC=C(C=C2)Cl)C(=CC(=O)OCC)OCC","ACUAXXWAUOZMQY-MDBDYUHZSA-N",5469839,NA,"PDBC48034","693208","Present",NA,NA
+"48035","NSC693209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693209",NA,"COC(=O)C1CCCN1CCN2CCCC2C(=O)OC.Cl","CJVZDDMJAFMZEM-FXMYHANSSA-N",392627,NA,"PDBC48035","693209","Present",NA,NA
+"48036","NSC693210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693210",NA,"C1CC(N(C1)CCNC(CC2=CC=CC=C2)C(=O)O)C(=O)O","AIQRRBZICYVCTC-KBPBESRZSA-N",392629,NA,"PDBC48036","693210","Present",NA,NA
+"48037","NSC693211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693211",NA,"C1=CC=C2C(=C1)SC3[S+]2C4=CC=CC=C4S3.[Cl-]","WMOWPNGUADUBSW-UHFFFAOYSA-M",392630,NA,"PDBC48037","693211","Present",NA,NA
+"48038","NSC693213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693213",NA,"CCOC(=O)C12C3CCC=CC3OC(=C1C(=O)C(=O)N2C4=CC=CC=C4)C5=CC=CC=C5","YFMCCSJZZASRKC-BVFVYWQFSA-N",392633,NA,"PDBC48038","693213","Present",NA,NA
+"48039","NSC693214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693214",NA,"CCOC(=O)C12C3CCC(C1(C(=O)C(=O)N2C4=CC=CC=C4)C(=O)C5=CC=CC=C5)C=C3","JUMRKJSOTYPWAU-QFJJDKIVSA-N",392634,NA,"PDBC48039","693214","Present",NA,NA
+"48040","NSC693219",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693219",NA,"CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)N3C(C(NC3=S)C(C(C(CO)O)O)O)O)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","ABCCVUMPKHDYBB-GYCTVFPHSA-N",5469841,NA,"PDBC48040","693219","Present",NA,NA
+"48041","NSC693220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693220",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(C(NC2=S)C(C(C(CO)O)O)O)O)OC(=O)C)OC(=O)C)OC(=O)C","HRJUDVOZMBSFLQ-ARGZLTICSA-N",5469842,NA,"PDBC48041","693220","Present",NA,NA
+"48042","NSC693223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693223",NA,"CC1C2C(C(=O)O1)N=NN2CC3=CC=CC=C3","UTECEQBALVAXFP-FBIMIBRVSA-N",392644,NA,"PDBC48042","693223","Present",NA,NA
+"48043","NSC693224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693224",NA,"C1COC2(O1)C(CC(=O)CC2SC3=CC=CC=C3)SC4=CC=CC=C4","DBRUMVVSNWOTCR-OALUTQOASA-N",392645,NA,"PDBC48043","693224","Present",NA,NA
+"48044","NSC693225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693225",NA,"C1CCN2C(C1)C3C(O2)C4(C(CC3=O)SC5=CC=CC=C5)OCCO4","NEGRAHAFWROCCX-PKWDIUTOSA-N",392646,NA,"PDBC48044","693225","Present",NA,NA
+"48045","NSC693229",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693229",NA,"CN=C1C2CSCN2C(=S)C3=CC=CC=C3N1","WVGZDWBCJJKRBW-JTQLQIEISA-N",135489897,NA,"PDBC48045","693229","Present",NA,NA
+"48046","NSC693230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693230",NA,"C1C2C(=NCCO)NC3=C(C=C(C=C3)Cl)C(=S)N2CS1","WSAUEXHFRVKMTF-NSHDSACASA-N",135489898,NA,"PDBC48046","693230","Present",NA,NA
+"48047","NSC693231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693231",NA,"CC1(OCC2C(C(O1)C3SCCCS3)OC(O2)(C)C)C","BDBXXMKICMYLRH-GMTAPVOTSA-N",392652,NA,"PDBC48047","693231","Present",NA,NA
+"48048","NSC693235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693235",NA,"CNC1=C2C(=NC=N1)N(C(=N2)NC3CCCC3)C4C(C(C(O4)CO)O)O","BBQDTZUQOLAMMU-UHFFFAOYSA-N",392656,NA,"PDBC48048","693235","Present",NA,NA
+"48049","NSC693246",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693246",NA,"CC(=NNC1=NC=NC2=CC=CC=C21)C3=CC=CC=N3","GRDMGYDEJSDGIQ-YBFXNURJSA-N",5466480,NA,"PDBC48049","693246","Present",NA,NA
+"48050","NSC693247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693247",NA,"CC(=NOC1=CC(=NC=N1)Cl)C2=CC=CC=N2","CYIDKMRQCBBIDR-LZYBPNLTSA-N",5466481,NA,"PDBC48050","693247","Present",NA,NA
+"48051","NSC693326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693326",NA,"CC(=NNC(=S)N1CCCCC1)C=NNC(=S)N2CCCCC2","UNSNRXLRFNYEKO-MCOFMCJXSA-N",6412422,NA,"PDBC48051","693326","Present",NA,NA
+"48052","NSC693327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693327",NA,"CN(C)C(=S)NN=CC(=NNC(=S)N(C)C)C1=CC=CC=C1","LKFNJXLIFHTTQD-RWIOWDNPSA-N",6477574,NA,"PDBC48052","693327","Present",NA,NA
+"48053","NSC693332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693332",NA,"CNC(=S)NN=C(C1=CC=CC=N1)C(=NNC(=S)NC)C2=CC=CC=N2","ZKWAXXIOGSZGMU-JZTLMNBPSA-N",6399375,NA,"PDBC48053","693332","Present",NA,NA
+"48054","NSC693333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693333",NA,"CN(C)C(=S)NN=C(C1=CC=CC=N1)C(=NNC(=S)N(C)C)C2=CC=CC=N2","XXGSUIGACAMZIQ-BMJUYKDLSA-N",6399376,NA,"PDBC48054","693333","Present",NA,NA
+"48055","NSC693334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693334",NA,"C1CCN(CC1)C(=S)NN=C(C2=CC=CC=N2)C(=NNC(=S)N3CCCCC3)C4=CC=CC=N4","LEEHMUDQGYHRBO-ZDSKVHJSSA-N",6399377,NA,"PDBC48055","693334","Present",NA,NA
+"48056","NSC693335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693335",NA,"CC(=NNC(=S)N1CCN(CC1)C(=S)NN=C(C)C2=CC=CC=N2)C3=CC=CC=N3","GIBOHTBSFVMWLF-MPKYGIEOSA-N",5481308,NA,"PDBC48056","693335","Present",NA,NA
+"48057","NSC693405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693405",NA,"CC(C)(C)[Si](C)(C)OCC1C23C(C(C(O2)(C4C3O4)OC)C(=O)OC5=CC=CC=C5)C(=O)O1","UEJGAGUXDUNUSH-RAFUZCKPSA-N",392687,NA,"PDBC48057","693405","Present",NA,NA
+"48058","NSC693406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693406",NA,"CC12C(C(C3(O1)C(OC(=O)C3C2S(=O)(=O)C4=CC=CC=C4)CO[Si](C)(C)C(C)(C)C)O)O","MFQXTVUTECDXKP-VXAOCQNFSA-N",392688,NA,"PDBC48058","693406","Present",NA,NA
+"48059","NSC693407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693407",NA,"CC(C)(C)[Si](C)(C)OCC1C23C(C(C(O2)(C4C3O4)OC)S(=O)(=O)C5=CC=CC=C5)C(=O)O1","IJCUBXVUQYXEQF-VXAOCQNFSA-N",392689,NA,"PDBC48059","693407","Present",NA,NA
+"48060","NSC693410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693410",NA,"CC12C3C(O3)C4(O1)C(C2Cl)C(=O)N5C4(OCC5)C","VOVSWGBFCDXZAX-WMCQRFFKSA-N",392692,NA,"PDBC48060","693410","Present",NA,NA
+"48061","NSC693420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693420",NA,"C1CCC2CC(=NNC(=O)N)CC2C1","CADKCLMGFVEKGL-OCAPTIKFSA-N",392703,NA,"PDBC48061","693420","Present",NA,NA
+"48062","NSC693421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693421",NA,"COC1(CCC2C1CC(C3C2C4=CC=CC=C4O3)(C(=C)[Si](C)(C)C)O)OC","DPDZZWZMFZQENG-VPOJOSCRSA-N",392704,NA,"PDBC48062","693421","Present",NA,NA
+"48063","NSC693429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693429",NA,"CC1(OCC(CO1)C=CC(CC2(OCCO2)C)O)C","TYVJEJZYENCTEN-PLNGDYQASA-N",5469853,NA,"PDBC48063","693429","Present",NA,NA
+"48064","NSC693432",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693432",NA,"C1C(C(CS1(=O)=O)NCC2=CC=CC=C2)NCC3=CC=CC=C3","VBWQFJPGNFMRGR-HDICACEKSA-N",392714,NA,"PDBC48064","693432","Present",NA,NA
+"48065","NSC693438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693438",NA,"C1CCC(=O)C(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3)C1","FZZDKGCMZNPEGV-HBKDFCBLSA-N",54608981,NA,"PDBC48065","693438","Present",NA,NA
+"48066","NSC693442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693442",NA,"CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)Cl)C1=O.Cl","GBAIAMIEDUPDRW-KEUSTAIFSA-N",6519684,NA,"PDBC48066","693442","Present",NA,NA
+"48067","NSC693445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693445",NA,"CC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C=C3CCCC(=CC4=CC=C(C=C4)OC(=O)C=CC5=CC=C(C=C5)C)C3=O","DKTQCGKBPLGSGL-DLJMWIJBSA-N",6296028,NA,"PDBC48067","693445","Present",NA,NA
+"48068","NSC693446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693446",NA,"C1CC(=CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C5=CC=CC=C5)C1","KJHPWXGKVASIHB-UFSUQUSASA-N",6179449,NA,"PDBC48068","693446","Present",NA,NA
+"48069","NSC693447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693447",NA,"C1CC(=CC2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)Cl)C1","JAUKSUFXEQDLON-CRYYDKFDSA-N",5871899,NA,"PDBC48069","693447","Present",NA,NA
+"48070","NSC693448",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693448",NA,"CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C=C3CCCC(=CC4=CC=C(C=C4)OC(=O)C5=CC=C(C=C5)C)C3=O","MVHGRYHVRSESNA-WECXDZCISA-N",5877775,NA,"PDBC48070","693448","Present",NA,NA
+"48071","NSC693578",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693578",NA,"C1=CC(=C(C=C1C2=[O+]C3=CC(=CC(=C3C=C2)O)O)O)O.C(=O)(C(F)(F)F)[O-]","XQKPAHBXNHXFOS-UHFFFAOYSA-N",392766,NA,"PDBC48071","693578","Present",NA,NA
+"48072","NSC693592",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693592",NA,"CC(=O)OCC1C(C2C3=CC4=C(C=C3C1O2)OCO4)COC(=O)C(C5=CC=CC=C5)(C(F)(F)F)OC","JISMWPQXAJBHGA-ZTMKUHGQSA-N",392768,NA,"PDBC48072","693592","Present",NA,NA
+"48073","NSC693627",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693627",NA,"C1=CC=C(C=C1)C(=NNC2=NC=C(C=C2)Cl)C3=CC=CC=N3","YHHFKWKMXWRVTJ-OQKWZONESA-N",6519698,NA,"PDBC48073","693627","Present",NA,NA
+"48074","NSC693700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693700",NA,"CC(=CCCC1(C=CC2=C(O1)C(=C3C(=C2OC(=O)C)C(=O)C4=CC5CC6C4(O3)C(C5=O)(OC6(C)C)CC=C(C)C(=O)O)CC=C(C)C)C)C","REDMIYQFNIRTDF-LARDOQITSA-N",5469880,NA,"PDBC48074","693700","Present",NA,NA
+"48075","NSC693721",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693721",NA,"C[N+](=CC1=C(N(C(C1)C(=O)OC)C(=O)OCC2=CC=CC=C2)SC)C.[I-]","HUMWXQPVSJZYJY-UHFFFAOYSA-M",392800,NA,"PDBC48075","693721","Present",NA,NA
+"48076","NSC693722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693722",NA,"C[N+](=CC1=C(NC(C1)C(=O)OC)SC)C.[I-]","AMFGAYQIQCGKNS-UHFFFAOYSA-N",392802,NA,"PDBC48076","693722","Present",NA,NA
+"48077","NSC693866",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693866",NA,"CC1=CC2=C(C=C1C)[N+](=C(C(=[N+]2[O-])C#N)NCCCN(C)C)[O-].Cl","PKRURCLIQCOUDN-UHFFFAOYSA-N",135505161,NA,"PDBC48077","693866","Present",NA,NA
+"48078","NSC693884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693884",NA,"CCCC(=NOC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])Cl","RYHGPWXDGZZLOM-XNTDXEJSSA-N",5494378,NA,"PDBC48078","693884","Present",NA,NA
+"48079","NSC693888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693888",NA,"CCOC(=O)C1(CC23C(C4C2(C1)OC(OC4=O)(C)C)C(=O)CCO3)C(=O)OCC","LLBFYSCXKPMJSH-USEHDAJUSA-N",392868,NA,"PDBC48079","693888","Present",NA,NA
+"48080","NSC693889",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693889",NA,"CCOC(=O)C1(CC(=O)C2(C1)C3CC(=O)OC3CCO2)C(=O)OCC","WBBOOPQPBSNOKB-AGKHESDQSA-N",392869,NA,"PDBC48080","693889","Present",NA,NA
+"48081","NSC693926",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693926",NA,"CC(=O)NC1C(OC2C1OC(O2)(C)C)CO","NGDMCQAAEDAQDO-GEPGNKONSA-N",392873,NA,"PDBC48081","693926","Present",NA,NA
+"48082","NSC693927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693927",NA,"CC1(OC2C(C(OC2O1)CO)OS(=O)(=O)C)C","BTKLXAREQZLDIF-DWYQZRHDSA-N",392874,NA,"PDBC48082","693927","Present",NA,NA
+"48083","NSC693928",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693928",NA,"CC1(OC2C(C(OC2O1)CO[Si](C)(C)C(C)(C)C)N=[N+]=[N-])C","OHTQKTNZQFLKIP-KIDURHIOSA-N",392875,NA,"PDBC48083","693928","Present",NA,NA
+"48084","NSC693929",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693929",NA,"CC1(OC2C(C(OC2O1)CO)N=[N+]=[N-])C","FHISEYHHNZGAOG-TVVDDFTJSA-N",392876,NA,"PDBC48084","693929","Present",NA,NA
+"48085","NSC693930",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693930",NA,"CC(=O)NC1C(OC2C1OC(O2)(C)C)CN(CC(=O)OC)C(=O)OCC3=CC=CC=C3","ITFALOWSTZXWBE-JDGDGYACSA-N",392877,NA,"PDBC48085","693930","Present",NA,NA
+"48086","NSC693933",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693933",NA,"CC1(OC2C(C(OC2O1)CN(CC(=O)OC)C(=O)OCC3=CC=CC=C3)N=[N+]=[N-])C","DDVHEZOWOSXMFL-OKEQZYBDSA-N",6712508,NA,"PDBC48086","693933","Present",NA,NA
+"48087","NSC694082",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694082",NA,"C1C(NC(=O)O1)C(CCCCCO)OC(=O)C2=CC=CC=C2","KPIUEMUZINKMNB-KGLIPLIRSA-N",392902,NA,"PDBC48087","694082","Present",NA,NA
+"48088","NSC694083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694083",NA,"C1CCC(C2COC(=O)N2CC1)O","BXZGLUWKDUEGBO-SFYZADRCSA-N",392903,NA,"PDBC48088","694083","Present",NA,NA
+"48089","NSC694093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694093",NA,"CC(=CC1=CC=CC=N1)C2=CC=CC=N2","NRFVWCSJDVRCTD-ZHACJKMWSA-N",5469909,NA,"PDBC48089","694093","Present",NA,NA
+"48090","NSC694110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694110",NA,"CC(=CC(=O)C1=C(C=C(N1)C(=O)O)C2CCN(C2=O)CC3=CC=CC=C3)N","RFVVFVODGDUCRC-XFXZXTDPSA-N",5469918,NA,"PDBC48090","694110","Present",NA,NA
+"48091","NSC694113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694113",NA,"CCOC(=O)C1=CC(=C(N1)C(=O)C=C(C)N)C2CCN(C2=O)CC3=CC=CC=C3","YASCIIQGCSWYFM-KAMYIIQDSA-N",5469919,NA,"PDBC48091","694113","Present",NA,NA
+"48092","NSC694171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694171",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3CC(C2C(Cl)(Cl)Cl)C=C3","KOPDSVZGKUSECV-GCZXYKMCSA-N",392957,NA,"PDBC48092","694171","Present",NA,NA
+"48093","NSC694214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694214",NA,"C1=CC=C(C=C1)C(=O)ON=C2C=CC(=O)C(=NOC(=O)C3=CC=CC=C3)C2=O","CWJQZXAZDYVZSW-CTZCZRIESA-N",9572052,NA,"PDBC48093","694214","Present",NA,NA
+"48094","NSC694221",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694221",NA,"C1=CC=C(C=C1)C2=CN=C(N=C2)N=[N+](C3=NC=C(C=N3)C4=CC=CC=C4)[O-]","CPYUHZWAXRNZNN-OCEACIFDSA-N",5897299,NA,"PDBC48094","694221","Present",NA,NA
+"48095","NSC694231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694231",NA,"CC(=O)OCSC(=S)NC1=NN=C(N1C(=S)SCC(=O)OC)NC(=S)SCC(=O)OC","UVFBJHQYFXCMHA-UHFFFAOYSA-N",3370703,NA,"PDBC48095","694231","Present",NA,NA
+"48096","NSC694237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694237",NA,"C1=CC=C2C(=C1)C3=NC4=CC=C(C=C4)C5=NC6=C(O5)C=C(C=C6)N=C7C8=CC=CC=C8C(=NC9=CC1=C(C=C9)OC(=N1)C1=CC=C(C=C1)N=C2N3)N7","YGMHXENNAOMQMY-UHFFFAOYSA-N",135489900,NA,"PDBC48096","694237","Present",NA,NA
+"48097","NSC694256",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694256",NA,"CN1C2=CC=CC=C2N=C1C(C#N)C3=C(C=CC=N3)[N+](=O)[O-]","KTJOWQZBNLVKRR-SNVBAGLBSA-N",6712513,NA,"PDBC48097","694256","Present",NA,NA
+"48098","NSC694258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694258",NA,"CC(C1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C2Cl","YIMHKHSVZDUGDK-GFCCVEGCSA-N",6712514,NA,"PDBC48098","694258","Present",NA,NA
+"48099","NSC694264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694264",NA,"C1=CC=C2C(=C1)N=C(S2)C(C#N)C3=C(C=CC=N3)[N+](=O)[O-]","GSVVNAZQOZTAKL-SECBINFHSA-N",6712519,NA,"PDBC48099","694264","Present",NA,NA
+"48100","NSC694273",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694273",NA,"C1=CC=C2C(=C1)C(=NC3=C(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N23)C(=O)O)N","AOURIGIYGBHRPR-UHFFFAOYSA-N",393029,NA,"PDBC48100","694273","Present",NA,NA
+"48101","NSC694277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694277",NA,"C1=CC=NC(=C1)C(C#N)C2=C(C=CC=N2)[N+](=O)[O-]","QIJWZKVYVHEKPL-VIFPVBQESA-N",5539264,NA,"PDBC48101","694277","Present",NA,NA
+"48102","NSC694281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694281",NA,"CCOC(=O)C1C(O1)C(=O)NC(CC(C)C)C(=O)NCCC(C)C","SRVFFFJZQVENJC-TTZKSVMKSA-N",393035,NA,"PDBC48102","694281","Present",NA,NA
+"48103","NSC694452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694452",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCCN(CCOC)CCOC)N.Cl","PQQMLIZJYVMQBF-UHFFFAOYSA-N",393064,NA,"PDBC48103","694452","Present",NA,NA
+"48104","NSC694522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694522",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCCCCCN)OCCCN)C.Cl","VYLKOWYCOYIVME-UHFFFAOYSA-N",393122,NA,"PDBC48104","694522","Present",NA,NA
+"48105","NSC694529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694529",NA,"CC1(C2CC1C3=CC4=C(C=C3C2)N=C5N4C=CC=C5)C","LKOQMXPWPPBWMA-JSGCOSHPSA-N",6712525,NA,"PDBC48105","694529","Present",NA,NA
+"48106","NSC694562",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694562",NA,"CN(C)CCCNC1=NN=C(C2=C1C(=O)C3=C(N2)C=CS3)NCCCN(C)C.Cl","UAVQAAICQXBGRY-UHFFFAOYSA-N",5469943,NA,"PDBC48106","694562","Present",NA,NA
+"48107","NSC694568",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694568",NA,"COC(=O)C=C1C(=NC2=CC=CC=C2)OC3(S1)C4CC5CC(C4)CC3C5","DFIFNAVCWFDBBT-OUCYFQBSSA-N",5469945,NA,"PDBC48107","694568","Present",NA,NA
+"48108","NSC694667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694667",NA,"CN1C2=CC=CC=C2C3(C1=O)CCC4(C=C3)OCCO4","UHYPBRJQOHSTQE-OAHLLOKOSA-N",393179,NA,"PDBC48108","694667","Present",NA,NA
+"48109","NSC694669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694669",NA,"C1CC2(C=CC13COC4=CC=CC=C34)OCCO2","IGESBSOOOYPSQZ-AWEZNQCLSA-N",393181,NA,"PDBC48109","694669","Present",NA,NA
+"48110","NSC694676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694676",NA,"CC1=CC=C(C=C1)S(=O)(=O)NN=C2CCC3(C=C2)C4=CC=CC=C4N(C3=O)C","KRXZDPWUKGSUHU-BCIXFCFJSA-N",9572053,NA,"PDBC48110","694676","Present",NA,NA
+"48111","NSC694689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694689",NA,"CC(C)[Si](C(C)C)(C(C)C)OCC=C(CC(OC)OC)C(=O)N(C1=CC=CC=C1I)C(=O)OC(C)(C)C","JLYABRYFXHLECO-JWGURIENSA-N",5469955,NA,"PDBC48111","694689","Present",NA,NA
+"48112","NSC694691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694691",NA,"CC(C)[Si](C(C)C)(C(C)C)OCC=C(CC(OC)OC)C(=O)N(COCC[Si](C)(C)C)C1=CC=CC=C1I","FVISWLOLSZJOSN-XYGWBWBKSA-N",5469956,NA,"PDBC48112","694691","Present",NA,NA
+"48113","NSC694768",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694768",NA,"CN1C(=O)C2=C(NC3C(N2)C(C(CO3)O)O)N=C1OC","LAAIYQXSCIDRBU-CCZCSHHHSA-N",393221,NA,"PDBC48113","694768","Present",NA,NA
+"48114","NSC694769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694769",NA,"CC(=O)OC1COC2C(C1OC(=O)C)NC3=C(N2)N=C(N(C3=O)C)OC","MEFUMEXYXLGWPT-FIQUKUQUSA-N",393222,NA,"PDBC48114","694769","Present",NA,NA
+"48115","NSC694770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694770",NA,"CN1C(=O)C2=NC(=CN=C2N=C1OC)C(C(CO)O)O","OFKAQGDYWVQRHP-HTRCEHHLSA-N",6712526,NA,"PDBC48115","694770","Present",NA,NA
+"48116","NSC694771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694771",NA,"CC(=O)OCC(C(C1=CN=C2C(=N1)C(=O)N(C(=N2)OC)C)OC(=O)C)OC(=O)C","CASQFHYYRFEOEQ-TZMCWYRMSA-N",10938418,NA,"PDBC48116","694771","Present",NA,NA
+"48117","NSC694851",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694851",NA,"CC(C)CC(CN(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)OC)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C","PDCFDTANXPAHPY-SDHOMARFSA-N",393224,NA,"PDBC48117","694851","Present",NA,NA
+"48118","NSC694852",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694852",NA,"CC(C)CC(C(=O)N1CCCC1CN(C(C)C)C(=O)NCC(=O)NC)NC(=O)OC(C)(C)C","VRRQDYDAUUDDSH-ROUUACIJSA-N",393225,NA,"PDBC48118","694852","Present",NA,NA
+"48119","NSC694855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694855",NA,"CNC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCC#N)CCN(C2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC","SICDEQZNPPKOGP-VMPREFPWSA-N",393228,NA,"PDBC48119","694855","Present",NA,NA
+"48120","NSC694857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694857",NA,"CC(C)(C)OC(=O)NCCN(C1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC","OGPHIORATDELJV-FQEVSTJZSA-N",393230,NA,"PDBC48120","694857","Present",NA,NA
+"48121","NSC694862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694862",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)NCCN(CCNC(=O)NC(CC2=CC=CC=C2)C(=O)OC)C(=O)NC(CC3=CC=CC=C3)C(=O)OC","SJAXSALEORHOEN-CHQNGUEUSA-N",393235,NA,"PDBC48121","694862","Present",NA,NA
+"48122","NSC694866",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694866",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)N(CCCCN(CCC#N)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)CCC#N","WWZFCEIILATGFI-NSOVKSMOSA-N",393239,NA,"PDBC48122","694866","Present",NA,NA
+"48123","NSC694868",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694868",NA,"CCN(CCCN(CC)C(=O)NC(CC1=CC=CC=C1)C(=O)NC)C(=O)NC(CC2=CC=CC=C2)C(=O)NC","VAZQOWUWGHSGEI-DQEYMECFSA-N",393241,NA,"PDBC48123","694868","Present",NA,NA
+"48124","NSC694869",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694869",NA,"CC(C1=CC=CC=C1)NC(=O)NC(CCSC)C(=O)OC","HTPMWHOCBCQXOD-YPMHNXCESA-N",393242,NA,"PDBC48124","694869","Present",NA,NA
+"48125","NSC694870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694870",NA,"CC(C1=CC=CC=C1)NC(=O)NC(COC(C)(C)C)C(=O)OC","QWKUMJVEXZYAAL-OCCSQVGLSA-N",393243,NA,"PDBC48125","694870","Present",NA,NA
+"48126","NSC694871",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694871",NA,"CCOC(=O)CCC(C(=O)OCC)NC(=O)NC(C)C1=CC=CC=C1","HXLPDUGQOKOPOS-HIFRSBDPSA-N",393244,NA,"PDBC48126","694871","Present",NA,NA
+"48127","NSC694872",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694872",NA,"CCC(C)C(C(=O)OC)NC(=O)NC(C)C1=CC=CC=C1","VJCUPKUYQOYEMO-AOUZGSJDSA-N",393245,NA,"PDBC48127","694872","Present",NA,NA
+"48128","NSC694877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694877",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CCN(CC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C(=O)NC(CC4=CC=CC=C4)C(=O)OC","RJTUJTKPRWVDSE-ZDCRTTOTSA-N",393250,NA,"PDBC48128","694877","Present",NA,NA
+"48129","NSC694878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694878",NA,"COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCCN(CCCN(CCC2)C(=O)NC(CC3=CC=CC=C3)C(=O)OC)C(=O)NC(CC4=CC=CC=C4)C(=O)OC","NIWBXDMHXFUIER-KVBYWJEESA-N",393251,NA,"PDBC48129","694878","Present",NA,NA
+"48130","NSC694915",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694915",NA,"CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C)CC=C","PDZQQWOKWNFHNM-VURPSTOHSA-N",393265,NA,"PDBC48130","694915","Present",NA,NA
+"48131","NSC694956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694956",NA,"CCOC(=O)C1=CC=C(N1C)C(=O)C(=C2CCCN2C)C(=O)C","MRENBQFSAWGXOY-NTCAYCPXSA-N",5469964,NA,"PDBC48131","694956","Present",NA,NA
+"48132","NSC694958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694958",NA,"CC(=CC(=O)OC)C=CCOC1CCCCO1","PAVIZGYIHARLFQ-GWZUCBFCSA-N",5469965,NA,"PDBC48132","694958","Present",NA,NA
+"48133","NSC694962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694962",NA,"CCOC(=O)C1=CC(=C(N1)C(=O)C=C(C)N)C2CCN(C2=O)C3=CC=CC=C3","HTWUULMENCKCIQ-QBFSEMIESA-N",5469967,NA,"PDBC48133","694962","Present",NA,NA
+"48134","NSC694963",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694963",NA,"CCOC(=O)C=C(C=CCOC1CCCCO1)C2=CC=CC=C2","CLHXUNDTUBFBEY-GEJPQOJYSA-N",5469968,NA,"PDBC48134","694963","Present",NA,NA
+"48135","NSC694964",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694964",NA,"CCCCC(=CC(=O)OCC)C=CCOC1CCCCO1","AFCHUCZBASXBHE-VRFDNOBASA-N",5469969,NA,"PDBC48135","694964","Present",NA,NA
+"48136","NSC694968",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694968",NA,"CCOC(=O)C1=CC=C(N1C)C(=O)C(=C2CCCN2C)C(=O)OC(C)(C)C","ANMZQINYEMTIBV-SSZFMOIBSA-N",5469970,NA,"PDBC48136","694968","Present",NA,NA
+"48137","NSC694969",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694969",NA,"CCOC(=O)C(=C1CCCN1C)C(=O)C2=CC=CN2","SKQUHBTXWAZGHB-QXMHVHEDSA-N",5469971,NA,"PDBC48137","694969","Present",NA,NA
+"48138","NSC694989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC694989",NA,"COC1=CC2=C(C=C1)NC3=C2CC(=O)N4CCCC(C4)CC35OCCCO5","JTDFYZSMHGWPAH-AWEZNQCLSA-N",393324,NA,"PDBC48138","694989","Present",NA,NA
+"48139","NSC695180",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695180",NA,"CC12C3C4C=C(C=C3OC5=CC(=CC(=C51)OC6=C2C(=CC(=C6)NC(=O)C(=O)NCC7=CN=C(C=C7)C8=CC=CC=N8)O4)NC(=O)C(=O)NCC9=CN=C(C=C9)C1=CC=CC=N1)NC(=O)C(=O)NCC1=CN=C(C=C1)C1=CC=CC=N1","PUTLPIFJHKJPBF-MSRNMEDVSA-N",16129926,NA,"PDBC48139","695180","Present",NA,NA
+"48140","NSC695204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695204",NA,"CC1(CC1C(=O)N(C)OC)CO","BIDYYUFGTFYOGK-SVRRBLITSA-N",6712533,NA,"PDBC48140","695204","Present",NA,NA
+"48141","NSC695205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695205",NA,"CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3CC3(C)CO","CAXHOVNOQBNYSW-PZPSRYQVSA-N",393373,NA,"PDBC48141","695205","Present",NA,NA
+"48142","NSC695206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695206",NA,"CC(C1=CC=CC2=CC=CC=C21)NC(=O)C3CC3(C)COC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","QRKRSUULSMVREG-NBCYMOSYSA-N",393374,NA,"PDBC48142","695206","Present",NA,NA
+"48143","NSC695207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695207",NA,"CC1=CCC(C(=O)CC1)CC(C#CCCCC2OCCO2)O[Si](C(C)C)(C(C)C)C(C)C","RYYKMHUDIBFBDK-RPBOFIJWSA-N",393375,NA,"PDBC48143","695207","Present",NA,NA
+"48144","NSC695208",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695208",NA,"CCOC(=O)C(C(C(=O)OCC)O)NC(=O)OC(C)(C)C","VZTHIICJZUVGAH-DTWKUNHWSA-N",393376,NA,"PDBC48144","695208","Present",NA,NA
+"48145","NSC695210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695210",NA,"CCC1C(OC(O1)CCCOC(=O)C(C)(C)C)C=C","BZIPUBNPIGTPFF-OTTFEQOBSA-N",393377,NA,"PDBC48145","695210","Present",NA,NA
+"48146","NSC695211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695211",NA,"CCC(C(C=C)OCOCC[Si](C)(C)C)OC(CCCOC(=O)C(C)(C)C)OC","UYGOGFNAGUHIQD-LEAGNCFPSA-N",393378,NA,"PDBC48146","695211","Present",NA,NA
+"48147","NSC695217",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695217",NA,"C1CC2C(CC(O2)COC(=O)C3=CC=CC=C3)C(=O)C1","MWKFDNJGHWIIIQ-VNHYZAJKSA-N",393384,NA,"PDBC48147","695217","Present",NA,NA
+"48148","NSC695220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695220",NA,"C1CC2C(CC(O2)COC(=O)C3=CC=CC=C3)OC(=O)C1","KASFDCSIVMCIEW-MGPQQGTHSA-N",393387,NA,"PDBC48148","695220","Present",NA,NA
+"48149","NSC695221",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695221",NA,"C1C=CC(=O)OC2C1OC(C2)COC(=O)CC3=CC=CC=C3","FRZQHJPRRUOPGN-RBSFLKMASA-N",393388,NA,"PDBC48149","695221","Present",NA,NA
+"48150","NSC695223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695223",NA,"COCOCC1CCCN1CN2CCCC2COCOC","KCAAXPAGXUXNTG-MLCCFXAWSA-N",393390,NA,"PDBC48150","695223","Present",NA,NA
+"48151","NSC695224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695224",NA,"C1CC2C(CC(O2)COC(=O)C3=CC=CC=C3)C(=O)OC1","MKVBFEUUYHGDGI-MGPQQGTHSA-N",393391,NA,"PDBC48151","695224","Present",NA,NA
+"48152","NSC695225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695225",NA,"C1CC2C(CC(O2)COCC3=CC=CC=C3)C(=O)C1","FQJMYRXJHSNLLJ-IJEWVQPXSA-N",393392,NA,"PDBC48152","695225","Present",NA,NA
+"48153","NSC695226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695226",NA,"C1CC2C(CC(O2)COCC3=CC=CC=C3)C(=O)OC1","SXANXRWSWMIPDT-RBSFLKMASA-N",393393,NA,"PDBC48153","695226","Present",NA,NA
+"48154","NSC695228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695228",NA,"CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1NC(=O)OCC(Cl)(Cl)Cl)C(C2=O)CC=C","XIGYJVAPBLQYPP-VQQMMKBISA-N",6712535,NA,"PDBC48154","695228","Present",NA,NA
+"48155","NSC695229",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695229",NA,"CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1NC(=O)OC)CC2=O","CVYVBLPISFBMMT-GPMSIDNRSA-N",6712536,NA,"PDBC48155","695229","Present",NA,NA
+"48156","NSC695233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695233",NA,"COCCC(=C)CCC1CCCCC(=C)C1O","MNXKOOGIOKCMAM-YSSOQSIOSA-N",393400,NA,"PDBC48156","695233","Present",NA,NA
+"48157","NSC695234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695234",NA,"CC(=O)OC1C(CCCCC1=C)CCC(=C)CCOC","UIUDSRAYOXSVMK-ZYMOGRSISA-N",393401,NA,"PDBC48157","695234","Present",NA,NA
+"48158","NSC695362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695362",NA,"C[Si](C)(C)C1=C2C(=C(C3C1CCCC3)[Si](C)(C)C)C(=O)C4=CC=CC=C4C2=O","FTVYVUNRZJVDLC-HDICACEKSA-N",393454,NA,"PDBC48158","695362","Present",NA,NA
+"48159","NSC695364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695364",NA,"COCC1C(C(C(O1)N2C3C=C4CCCCC4=CC3C(=O)NC2=O)OC)OC","NCOAINMYTSTAHN-IWTAEOLZSA-N",393456,NA,"PDBC48159","695364","Present",NA,NA
+"48160","NSC695368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695368",NA,"CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)C=CI","MHGHKECOHLJWOC-VURMDHGXSA-N",5470003,NA,"PDBC48160","695368","Present",NA,NA
+"48161","NSC695369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695369",NA,"CC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)C=CC#C[Si](C)(C)C","QXGMHAJPTMEBIH-XFFZJAGNSA-N",5470004,NA,"PDBC48161","695369","Present",NA,NA
+"48162","NSC695571",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695571",NA,"CC1=C2C(CC(=O)C2=C(S1)C)N.Cl","QMBMRVQIBAHFCJ-UHFFFAOYSA-N",393510,NA,"PDBC48162","695571","Present",NA,NA
+"48163","NSC695572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695572",NA,"C1C(C2=C(C1=O)C=C(S2)Cl)N.Cl","QVACLWUJRHGUDQ-UHFFFAOYSA-N",393512,NA,"PDBC48163","695572","Present",NA,NA
+"48164","NSC695586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695586",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+]4(CCOCC4)CC5=CC=C(C=C5)[N+](=O)[O-])N.Cl.[Cl-]","RSFXRSJCMSAOBN-UHFFFAOYSA-N",393528,NA,"PDBC48164","695586","Present",NA,NA
+"48165","NSC695587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695587",NA,"CC1=C2C(=CC=C1)C(=C3C=CC=C(C3=N2)C(=O)NCC[N+](CCOC)(CCOC)CC4=CC=C(C=C4)[N+](=O)[O-])N.Cl.[Cl-]","XWRDBHMRLMAZRJ-UHFFFAOYSA-N",393530,NA,"PDBC48165","695587","Present",NA,NA
+"48166","NSC695590",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695590",NA,"CC(C(=O)NC1=CC2=C(C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl)C5=CC=CC=C51)NC6=C(C=C(C=C6[N+](=O)[O-])C(=O)NCCN(C)C)[N+](=O)[O-].Cl","PZMGZKZFKZXZAO-UHFFFAOYSA-N",393534,NA,"PDBC48166","695590","Present",NA,NA
+"48167","NSC695601",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695601",NA,"COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(CN4CCOCC4)CN5CCCC5=O.Cl","DHUHYOTYMOKHCC-UHFFFAOYSA-N",63987,NA,"PDBC48167","695601","Present",NA,NA
+"48168","NSC695648",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695648",NA,"C1C(OS(=O)O1)CCCl","JQXQMWFXAIUQON-HBSVBABPSA-N",6712539,NA,"PDBC48168","695648","Present",NA,NA
+"48169","NSC695649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695649",NA,"C1C(C(OC1N2C=CC(=NC2=O)N)COP(=S)(O)OC3CC(OC3CO)N4C=CC(=NC4=O)N)O","GMUHMSYUIHADOJ-UHFFFAOYSA-N",6858086,NA,"PDBC48169","695649","Present",NA,NA
+"48170","NSC69577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC69577",NA,"CC1=CC(=O)N(C1=O)C2=CC=CC3=C2C=CC=C3N4C(=O)C=C(C4=O)C","YNOTYYAAHAIEIG-UHFFFAOYSA-N",250323,NA,"PDBC48170","69577","Present",NA,NA
+"48171","NSC695927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695927",NA,"CC(=O)O.C1CNCC=C1C2=C(N=C(NC2=O)N)N","CWUHEUSWGHJTCI-UHFFFAOYSA-N",135505163,NA,"PDBC48171","695927","Present",NA,NA
+"48172","NSC695928",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695928",NA,"CC(=O)O.CN1CCC(=CC1)C2=C(N=C(NC2=O)N)N","QXTWOAPKWGAEEP-UHFFFAOYSA-N",135505164,NA,"PDBC48172","695928","Present",NA,NA
+"48173","NSC695929",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695929",NA,"CC(=O)O.C1CN(CC=C1C2=C(N=C(NC2=O)N)N)CC3=CC=CC=C3","MSHXRPIBXJQRHG-UHFFFAOYSA-N",135505165,NA,"PDBC48173","695929","Present",NA,NA
+"48174","NSC695935",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695935",NA,"CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(C)CCCNC(=O)NCCCN(C)CCCNC5=NC=CC6=C(C7=C(C(=C65)C)C8=C(N7)C=CC(=C8)OC)C.C(=O)(C(F)(F)F)O","FNSNTHSFKIOTFN-UHFFFAOYSA-N",393667,NA,"PDBC48174","695935","Present",NA,NA
+"48175","NSC695939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695939",NA,"CN(CCCNC1=C2C3=C(C=C1)N=CN3C4=CC=CC=C4C2=O)CCCNC5=C6C=C(C=CC6=NC7=C5C=CC(=C7)Cl)OC.Cl","HGVVNYVXBUQGHS-UHFFFAOYSA-N",438998,NA,"PDBC48175","695939","Present",NA,NA
+"48176","NSC695940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695940",NA,"C1CN(CCN1CCCN)CCCNC2=C3C4=C(C=C2)N=CN4C5=CC=CC=C5C3=O.Cl","ZRMSKSPHYHJIRW-UHFFFAOYSA-N",439000,NA,"PDBC48176","695940","Present",NA,NA
+"48177","NSC695944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC695944",NA,"C1CN(CCN1CCCN)CCCNC2=C3C4=C(C=C2)N=NN4C5=CC=CC=C5C3=O.Cl","CTALVHTYFRMXKH-UHFFFAOYSA-N",439008,NA,"PDBC48177","695944","Present",NA,NA
+"48178","NSC696129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696129",NA,"CN1C(=CC=C1[N+](=O)[O-])C[N+](C)(C)C2=CC3=C(C(CN3C(=O)C4=CC5=CC(=C(C(=C5N4)OC)OC)OC)CCl)C6=CC=CC=C62.C(F)(F)(F)S(=O)(=O)[O-]","VIPVPBDCYIGZBF-UHFFFAOYSA-N",393694,NA,"PDBC48178","696129","Present",NA,NA
+"48179","NSC696130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696130",NA,"CC(CCC(=O)C(=C)C)C1C(CC2(C1(CCC34C2CC(C5C3(C4)CCC(C5(C)C)OC6C(C(C(C(O6)CO)O)O)O)O)C)C)OC7C(C(C(C(O7)CO)O)O)O","KSQMUXSCAWKGQO-XEYQZJDCSA-N",393696,NA,"PDBC48179","696130","Present",NA,NA
+"48180","NSC696237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696237",NA,"COC(C1C(C(CO1)N2C=NC3=C(N=CN=C32)N)O)OC","XYDALHCGTHICBK-NBEYISGCSA-N",393719,NA,"PDBC48180","696237","Present",NA,NA
+"48181","NSC696238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696238",NA,"COC(C1C(C(CO1)N2C=CC(=O)NC2=O)O)OC","HTHBYSBMHGTQIY-NBEYISGCSA-N",393720,NA,"PDBC48181","696238","Present",NA,NA
+"48182","NSC696239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696239",NA,"COC(C1C(C(CO1)O)N2C=NC3=C(N=CN=C32)N)OC","JPIVYOQPBJQSSH-BWVDBABLSA-N",393721,NA,"PDBC48182","696239","Present",NA,NA
+"48183","NSC696240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696240",NA,"C1C(C(C(O1)CO)O)N2C=NC3=C2N=CNC3=O","VUDZUOKPXFETKY-VMHSAVOQSA-N",135489906,NA,"PDBC48183","696240","Present",NA,NA
+"48184","NSC696241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696241",NA,"C1C(C(C(O1)CO)O)N2C=CC(=NC2=O)N","YQZIOPLVSOBQKZ-VMHSAVOQSA-N",393723,NA,"PDBC48184","696241","Present",NA,NA
+"48185","NSC696255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696255",NA,"CC1(CC(C(CC1C=CCl)Br)(C)Cl)Br","FMMSUHFXIOENCO-GWRMMKRJSA-N",5470013,NA,"PDBC48185","696255","Present",NA,NA
+"48186","NSC696256",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696256",NA,"CN(C)C(=NC(=NC1=CC(=CC=C1)Cl)N)N.Cl","HCXMNPLIHUUHHU-UHFFFAOYSA-N",9572055,NA,"PDBC48186","696256","Present",NA,NA
+"48187","NSC696357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696357",NA,"CC1(OC(C(O1)C(CO)O)C2NCCS2)C","COLGRBAFKIMOOR-KHONBHQKSA-N",393743,NA,"PDBC48187","696357","Present",NA,NA
+"48188","NSC696358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696358",NA,"C1CSC2N1CC(C(C2O)O)O","OLUXKDYGHOSACZ-XSNFGBRTSA-N",393744,NA,"PDBC48188","696358","Present",NA,NA
+"48189","NSC696359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696359",NA,"C1CSC2N1C(C(C2O)O)CO","DOSZPBXAKGQANN-XSNFGBRTSA-N",393745,NA,"PDBC48189","696359","Present",NA,NA
+"48190","NSC696360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696360",NA,"CC1(OC2C(CN3CCSC3C2O1)O)C","YMPIJENZXNREPV-BCZLUZIISA-N",393746,NA,"PDBC48190","696360","Present",NA,NA
+"48191","NSC696362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696362",NA,"COC1=C(C=C(C=C1)CC2CC3=CC=CC=C3CCN2)OC.Cl","VFKBKNMMXALYLE-UHFFFAOYSA-N",393748,NA,"PDBC48191","696362","Present",NA,NA
+"48192","NSC696363",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696363",NA,"CC1=CC=C(C=C1)S(=O)C(C)C(C(=O)OC)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","NSEIZLQQOYDXGX-JXPLTHGPSA-N",393750,NA,"PDBC48192","696363","Present",NA,NA
+"48193","NSC696364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696364",NA,"CC1=CC=C(C=C1)S(=O)CC(C(F)F)(NC(=O)OCC2=CC=CC=C2)SC3=CC=CC=C3","SKYMMKOSWOBGQS-RUBXLXHKSA-N",393751,NA,"PDBC48193","696364","Present",NA,NA
+"48194","NSC696365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696365",NA,"CC1=CC=C(C=C1)S(=O)CC2(C(=O)NC(=O)N2)C(F)F","WJPJYWIFOIGGJE-SVZXGPMESA-N",393752,NA,"PDBC48194","696365","Present",NA,NA
+"48195","NSC696366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696366",NA,"CC1=CC=C(C=C1)SCC2(C(=O)NC(=O)N2)C(F)F","ZQUZFOUODQPKTN-LBPRGKRZSA-N",393753,NA,"PDBC48195","696366","Present",NA,NA
+"48196","NSC696367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696367",NA,"C1=CC=C(C=C1)COC(=O)NC(CO)(C#N)C(F)F","SNIKHGSVKHKNRT-GFCCVEGCSA-N",393754,NA,"PDBC48196","696367","Present",NA,NA
+"48197","NSC696368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696368",NA,"CC(C(C(=O)OC)(C(F)(F)F)NC(=O)OCC1=CC=CC=C1)O","MKZPUKDVJBEPSR-ZANVPECISA-N",393755,NA,"PDBC48197","696368","Present",NA,NA
+"48198","NSC696369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696369",NA,"CC1=CC=C(C=C1)SC(C=O)(C(F)(F)F)NC(=O)OCC2=CC=CC=C2","AQESYUSLGHYKHF-QGZVFWFLSA-N",393756,NA,"PDBC48198","696369","Present",NA,NA
+"48199","NSC696395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696395",NA,"C1=CN(C(=O)N=C1NCCCCC(C(=O)O)N)C2C(C(C(O2)CO)O)O.[Na+]","BWTPMWJQVBACBY-UHFFFAOYSA-N",54599678,NA,"PDBC48199","696395","Present",NA,NA
+"48200","NSC696459",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696459",NA,"C1CNCCN(CCNCCN1)CC2=CC(=CC=C2)CN3CCNCCNCCNCC3.C(=O)(C(F)(F)F)O","LNRZHQLHNCBPMU-UHFFFAOYSA-N",393774,NA,"PDBC48200","696459","Present",NA,NA
+"48201","NSC696468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696468",NA,"CSC1=C2C(=CS1)CCCC2=NNC(=O)N","DNJOOGLXDIPGJJ-KPKJPENVSA-N",5493568,NA,"PDBC48201","696468","Present",NA,NA
+"48202","NSC696675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696675",NA,"CC(C(=O)OC)NC(=O)C(C1=CC=CC=C1)NS(=O)(=O)C2=NC3=CC=CC=C3S2","NPKQWUZEAKGBJI-BLLLJJGKSA-N",393841,NA,"PDBC48202","696675","Present",NA,NA
+"48203","NSC696845",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696845",NA,"CCOP(=O)(CN1CCNCCN(CCNCC1)CP(=O)(O)OCC)O.[Na+]","WVVNNJUZENAMMT-UHFFFAOYSA-N",54608966,NA,"PDBC48203","696845","Present",NA,NA
+"48204","NSC696890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696890",NA,"C1CC2C(C2(C#N)C#N)C(=C1)SC3=CC=CC=C3","ZQXLMGBGEAQSSR-TZMCWYRMSA-N",393917,NA,"PDBC48204","696890","Present",NA,NA
+"48205","NSC696893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC696893",NA,"CC1=CC(=C(C(=C1)CN2CCN(CCN(CC2)C(C)C)C(C)C)O)C.[Na+]","JSTPVRNQLWAXEQ-UHFFFAOYSA-N",54608967,NA,"PDBC48205","696893","Present",NA,NA
+"48206","NSC697065",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697065",NA,"C1COCCN1C2=[N+]3C=CC=CC3=C4N2C5=CC=CC=C5N6C4=C7C=CC=C[N+]7=C6N8CCOCC8.[O-]Cl(=O)(=O)=O","CPVPGSNOADQNKN-UHFFFAOYSA-M",393978,NA,"PDBC48206","697065","Present",NA,NA
+"48207","NSC697066",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697066",NA,"C1CCN(C1)C2=[N+]3C=CC=CC3=C4N2C5=CC=CC=C5N6C4=C7C=CC=C[N+]7=C6N8CCCC8.[O-]Cl(=O)(=O)=O","PMMBJSPTYSQCLA-UHFFFAOYSA-M",393980,NA,"PDBC48207","697066","Present",NA,NA
+"48208","NSC697067",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697067",NA,"C1CCN(C1)C2=[N+]3C=CC=CC3=C4N2C5=C(C=C(C=C5)[N+](=O)[O-])N6C4=C7C=CC=C[N+]7=C6N8CCCC8.[O-]Cl(=O)(=O)=O","MDSFQLCLUWKKRO-UHFFFAOYSA-M",5470039,NA,"PDBC48208","697067","Present",NA,NA
+"48209","NSC697120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697120",NA,"CC1=C(C(=C(C2=NC3=CC=CC=C3N=C12)C(C)CCC=C(C)C)O)O","DLURXLKBFFIUFB-CYBMUJFWSA-N",135489908,NA,"PDBC48209","697120","Present",NA,NA
+"48210","NSC697121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697121",NA,"CC1=C2C(=C(C(=C1O)O)C(C)CCC=C(C)C)OC(=N2)C(=O)OC","AKNYPXDXJCERQG-SNVBAGLBSA-N",394004,NA,"PDBC48210","697121","Present",NA,NA
+"48211","NSC697122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697122",NA,"CC1=C2C(C(=C(C1O)O)C(C)CCC=C(C)C)OC(=O)C(=N2)C3=CC=CC=C3","HQOVFKOOADNLBT-FEEUCNAYSA-N",394005,NA,"PDBC48211","697122","Present",NA,NA
+"48212","NSC697123",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697123",NA,"CC1=C2C(=C(C(=C1O)OC3=C(C(=C(C(=C3C)O)O)C(C)CCC=C(C)C)O)C(C)CCC=C(C)C)OC(=N2)C(=O)OC","BAUIBCUWGCLPMH-RTBURBONSA-N",394006,NA,"PDBC48212","697123","Present",NA,NA
+"48213","NSC697126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697126",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2I","NAKPWZZJTWINPK-CYBMUJFWSA-N",394009,NA,"PDBC48213","697126","Present",NA,NA
+"48214","NSC697127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697127",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2F","CXKMYZWMYFJLGU-CYBMUJFWSA-N",394010,NA,"PDBC48214","697127","Present",NA,NA
+"48215","NSC697128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697128",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC","NFWQFZQRNDHFKZ-SNVBAGLBSA-N",394011,NA,"PDBC48215","697128","Present",NA,NA
+"48216","NSC697129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697129",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2","OFKGQZQLTIBGNK-CQSZACIVSA-N",394012,NA,"PDBC48216","697129","Present",NA,NA
+"48217","NSC697130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697130",NA,"CC1=C2C(=C(C(=O)C1=O)C(C)CCC=C(C)C)NC3=CC=CC=C3S2","XZFMWPWVRSVBLU-CYBMUJFWSA-N",394013,NA,"PDBC48217","697130","Present",NA,NA
+"48218","NSC697131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697131",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)NC2=CC=CC=C2F)O","HLKGQWXKHPBOKQ-CYBMUJFWSA-N",394014,NA,"PDBC48218","697131","Present",NA,NA
+"48219","NSC697132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697132",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2Cl","JZMVNTXXOFHHNM-CYBMUJFWSA-N",394015,NA,"PDBC48219","697132","Present",NA,NA
+"48220","NSC697133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697133",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)NC2=CC=CC=C2)O","UKXWQTLURAIENC-CQSZACIVSA-N",394016,NA,"PDBC48220","697133","Present",NA,NA
+"48221","NSC697135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697135",NA,"CC1=C(C(=C(C2=NC=CN=C12)C(C)CCC=C(C)C)O)O","YWIQJJHHRBCJNU-LLVKDONJSA-N",135489909,NA,"PDBC48221","697135","Present",NA,NA
+"48222","NSC697136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697136",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC2=CC=CC=C2Br","GXLYXTXAAVZOPJ-CYBMUJFWSA-N",394018,NA,"PDBC48222","697136","Present",NA,NA
+"48223","NSC697137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697137",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)NC(C)C2=CC=CC=C2","LLAGYTNITMKWNL-NVXWUHKLSA-N",5470049,NA,"PDBC48223","697137","Present",NA,NA
+"48224","NSC697138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697138",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)NC2=CC=CC=C2Cl)O","ALSWNXRUMWTVEJ-CYBMUJFWSA-N",394020,NA,"PDBC48224","697138","Present",NA,NA
+"48225","NSC697139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697139",NA,"CC1=C(C(=C(C(=O)C1=O)C(C)CCC=C(C)C)O)C2=C(C(=O)N(C(=O)N2C)C)I","MBPOPELBPLZGTG-LLVKDONJSA-N",394021,NA,"PDBC48225","697139","Present",NA,NA
+"48226","NSC697192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697192",NA,"C1=CC=C2C(=C1)C=CC(=C2C3N(C(=O)C(=CC4=CC(=C(C=C4)O)O)S3)NC(=O)CCCCCCCCC(=O)NN5C(SC(=CC6=CC(=C(C=C6)O)O)C5=O)C7=C(C=CC8=CC=CC=C87)O)O","GZXGZBUETAFRIH-CTQPMARESA-N",5470052,NA,"PDBC48226","697192","Present",NA,NA
+"48227","NSC697193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697193",NA,"C1=CC(=CC=C1C2N(C(=O)C(=CC3=CC(=C(C=C3)O)O)S2)NC(=O)CCCCCCCCC(=O)NN4C(SC(=CC5=CC(=C(C=C5)O)O)C4=O)C6=CC=C(C=C6)Cl)Cl","KCUOUOUGPDOMNL-VJTPSNAYSA-N",5470053,NA,"PDBC48227","697193","Present",NA,NA
+"48228","NSC697194",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697194",NA,"COC1=C(C=C(C=C1)C=C2C(=O)N(C(S2)C3=C(C=CC4=CC=CC=C43)O)NC(=O)CCCCCCCCC(=O)NN5C(SC(=CC6=CC(=C(C=C6)OC)OC)C5=O)C7=C(C=CC8=CC=CC=C87)O)OC","FMSYHHMHOOPZRR-RQAFMBFTSA-N",5470054,NA,"PDBC48228","697194","Present",NA,NA
+"48229","NSC697195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697195",NA,"COC1=C(C=C(C=C1)C=C2C(=O)N(C(S2)C3=CC=C(C=C3)Cl)NC(=O)CCCCCCCCC(=O)NN4C(SC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C6=CC=C(C=C6)Cl)OC","XCQQBOCAJBMGPS-SDOZPZOWSA-N",5470055,NA,"PDBC48229","697195","Present",NA,NA
+"48230","NSC697196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697196",NA,"COC1=C(C=C(C=C1)C=C2C(=O)N(C(S2)C3=CC=CC=C3)NC(=O)CCCCCCCCC(=O)NN4C(SC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C6=CC=CC=C6)OC","AZSJLZZMBOENIG-NXRKLTDKSA-N",5470056,NA,"PDBC48230","697196","Present",NA,NA
+"48231","NSC697274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697274",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)C)C)C)OC1","AULWDENWMBJIIQ-KDRSRITOSA-N",394134,NA,"PDBC48231","697274","Present",NA,NA
+"48232","NSC697276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697276",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CC(C(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)O)C)C)C)OC1","JAZQCVQBFDSLCR-PYZJYDEDSA-N",394136,NA,"PDBC48232","697276","Present",NA,NA
+"48233","NSC697278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697278",NA,"CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=CC=C3)N)SC1)C(=O)NC(CC(C)C)C(=O)O","ZLJYBKRBVGRTQA-STALNFTGSA-N",394137,NA,"PDBC48233","697278","Present",NA,NA
+"48234","NSC697279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697279",NA,"CC1=C(N2C(C(C2=O)NC(=O)C(CC(C)C)N)SC1)C(=O)NC(CC3=CC=CC=C3)C(=O)O","FSEVLYDDRBWASD-NRVIRDBHSA-N",394138,NA,"PDBC48234","697279","Present",NA,NA
+"48235","NSC697280",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697280",NA,"CC1=C(N2C(C(C2=O)NC(=O)C(CC3=CC=CC=C3)N)SC1)C(=O)NC(CC(C)C)C(=O)O","WNXSMKUMECQHRB-NRVIRDBHSA-N",394139,NA,"PDBC48235","697280","Present",NA,NA
+"48236","NSC697372",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697372",NA,"CC(C)(C)C(=CC1=NC2=CC(=C(C=C2NC1=O)F)F)O","XFQDXJGLOBPTSN-WUXMJOGZSA-N",135433822,NA,"PDBC48236","697372","Present",NA,NA
+"48237","NSC697387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697387",NA,"C1CCC(CC1)C2CCN(C2)C(=O)OCC(Cl)(Cl)Cl","GZKGPCKVFMKVNB-LLVKDONJSA-N",394153,NA,"PDBC48237","697387","Present",NA,NA
+"48238","NSC697389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697389",NA,"C1CC(C(C1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)OCC(Cl)(Cl)Cl","POJZEPVMECUQSP-QGZVFWFLSA-N",394155,NA,"PDBC48238","697389","Present",NA,NA
+"48239","NSC697392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697392",NA,"CC1(COC(OC1)(CCC(=C[N+](=O)[O-])C2=CC(=C(C=C2)OC)OC)C=C)C","RQRIVXZDPYTQCP-FOWTUZBSSA-N",5470073,NA,"PDBC48239","697392","Present",NA,NA
+"48240","NSC697393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697393",NA,"CC1(COC2(CCC3(CC(ON4C3C2CO4)OC5CCCCC5C(C)(C)C6=CC=CC=C6)C7=CC(=C(C=C7)OC)OC)OC1)C","JJDSNBNUKDHUNN-SIVMODHNSA-N",394159,NA,"PDBC48240","697393","Present",NA,NA
+"48241","NSC697394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697394",NA,"CC1(COC(OC1)(CCC2(CC(O[N+](=C2)[O-])OC3CCCCC3C(C)(C)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC)C=C)C","AVYKUGCLRFEJAV-DWSSOIHDSA-N",6712559,NA,"PDBC48241","697394","Present",NA,NA
+"48242","NSC697395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697395",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(C2C(C4(CC3)OCC(CO4)(C)C)CO)C5=CC(=C(C=C5)OC)OC","YLJDFGHGCQPNON-WSHBGFIESA-N",394160,NA,"PDBC48242","697395","Present",NA,NA
+"48243","NSC697397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697397",NA,"CN1CCC2(C1CC(=O)CC2)C3=CC(=C(C=C3)OC)OC.Cl","AWTUIVVWCZGIAQ-QJHJCNPRSA-N",394161,NA,"PDBC48243","697397","Present",NA,NA
+"48244","NSC697398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697398",NA,"CCOC(C)OC1C(=O)OCC1(C)C","XCKWOXNXPRBXHF-MQWKRIRWSA-N",6712561,NA,"PDBC48244","697398","Present",NA,NA
+"48245","NSC697400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697400",NA,"CC12C3CCC1C(C(=O)N2CC3)O","LXULSPLKUUHRCA-PYHGXSLLSA-N",394164,NA,"PDBC48245","697400","Present",NA,NA
+"48246","NSC697405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697405",NA,"CC1=[N+](OC(C(C1C2=CC=CC=C2)C(=O)C)OCC3=CC=CC=C3)[O-]","CVLMCNOPNZZGKF-AQNXPRMDSA-N",394168,NA,"PDBC48246","697405","Present",NA,NA
+"48247","NSC697409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697409",NA,"CCC1(C=[N+](OC(C1OC(=O)C)OCC2=CC=CC=C2)[O-])CC3=CC(=C(C=C3)OC)OC","FMTZDJVSDIVRHF-HJOGWXRNSA-N",394172,NA,"PDBC48247","697409","Present",NA,NA
+"48248","NSC697410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697410",NA,"CCC1(C=[N+](OC(C1OC(=O)C)OC2CCCCC2C3=CC=CC=C3)[O-])CC4=CC(=C(C=C4)OC)OC","UPXQKZKLSGNVHJ-LLUARVELSA-N",6712562,NA,"PDBC48248","697410","Present",NA,NA
+"48249","NSC697411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697411",NA,"CCC1(C2CC(ON2OC(C1OC(=O)C)OCC3=CC=CC=C3)C(=O)OC)CC4=CC(=C(C=C4)OC)OC","QCUKGPWUUCBUJU-GVDCIDSWSA-N",394173,NA,"PDBC48249","697411","Present",NA,NA
+"48250","NSC697412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697412",NA,"CCC1(CN(CC1OC(=O)C)S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC(=C(C=C3)OC)OC","YNJXMDFUQGZTBG-ZEQRLZLVSA-N",6712563,NA,"PDBC48250","697412","Present",NA,NA
+"48251","NSC697473",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697473",NA,"C1C(=CC2C3(CC(=O)C=C3)C=CSS2)C=CC1=O","RDQDUUPMCHHTSD-CWCIKPCXSA-N",5470080,NA,"PDBC48251","697473","Present",NA,NA
+"48252","NSC697490",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697490",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC(=C(C=C2)O)Br)C(=O)OC","LLPRWYROJYMXJJ-OALUTQOASA-N",394208,NA,"PDBC48252","697490","Present",NA,NA
+"48253","NSC697495",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697495",NA,"COC1=C(C=C(C=C1)CC2CN(C(CN2C(=O)C3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)C5=CC=CC=C5)Br","AOZGKXYNMUOSQQ-VSGBNLITSA-N",394213,NA,"PDBC48253","697495","Present",NA,NA
+"48254","NSC697575",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697575",NA,"C(CN=C(N)N)C(O)(P(=O)(O)O)P(=O)(O)O.[Na+]","ICQNAVOJPMMIRR-UHFFFAOYSA-N",54608957,NA,"PDBC48254","697575","Present",NA,NA
+"48255","NSC697578",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697578",NA,"CC1=CC(=NC(=N1)NC(P(=O)(O)O)P(=O)(O)O)C.[Na+]","SLEGTJDEHCSZJJ-UHFFFAOYSA-N",54608955,NA,"PDBC48255","697578","Present",NA,NA
+"48256","NSC697579",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697579",NA,"CC1=CC(=NC(=N1)NCCC(O)(P(=O)(O)O)P(=O)(O)O)C.[Na+]","UUDTVLQFYKNUSJ-UHFFFAOYSA-N",54612524,NA,"PDBC48256","697579","Present",NA,NA
+"48257","NSC697585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697585",NA,"CC1=CSC(=NC(P(=O)(O)O)P(=O)(O)O)N1C.[Na+]","XGNLSAMEAFIRRW-YJOCEBFMSA-N",54608956,NA,"PDBC48257","697585","Present",NA,NA
+"48258","NSC697586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697586",NA,"CC1=CSC(=[N+]1C(P(=O)(O)O)P(=O)(O)[O-])NC23CC4CC(C2)CC(C4)C3","OCPXJNNOIZJEAZ-UHFFFAOYSA-N",394262,NA,"PDBC48258","697586","Present",NA,NA
+"48259","NSC697592",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697592",NA,"C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)CCN(CC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O","KXRRPOGLGYCFGO-UHFFFAOYSA-N",394267,NA,"PDBC48259","697592","Present",NA,NA
+"48260","NSC697593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697593",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)[N+](=NNC3=CC=C(C=C3)[N+](=O)[O-])[O-]","MLQAHGBDMCTHFY-XUTLUUPISA-N",135446393,NA,"PDBC48260","697593","Present",NA,NA
+"48261","NSC697645",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697645",NA,"CCOC(=O)C1CCN2C1(C(=NN(C2)C3=CC=C(C=C3)OC)C4=CC=CC=C4)C5=CC=CC=C5","BHLDZAUGPCTKTD-LBNVMWSVSA-N",394279,NA,"PDBC48261","697645","Present",NA,NA
+"48262","NSC697646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697646",NA,"C1C2C(C(=O)N(C2=O)C3=CC=CC=C3)C4(N1CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7","CNWWGBODRFEGRG-BJUSWJRTSA-N",394280,NA,"PDBC48262","697646","Present",NA,NA
+"48263","NSC697653",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697653",NA,"CC1(C2CC1C3=CN=C(C=C3C2C(C4C5CC(C5(C)C)C6=CN=C(C=C46)C7=CC=CC=N7)O)C8=CC=CC=N8)C","KPMHKDGOAPJAOY-CTKILJIMSA-N",394286,NA,"PDBC48263","697653","Present",NA,NA
+"48264","NSC697657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697657",NA,"C1COCCN1CC2CN(C(=NC(=O)NC3=CC=CC=C3)O2)C(=O)NC4=CC=CC=C4","JEIGRPZHZAVGHD-YYDJUVGSSA-N",5897434,NA,"PDBC48264","697657","Present",NA,NA
+"48265","NSC697659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697659",NA,"CC1=CN(C(=O)NC1=O)C2CC(N(O2)C)(C)CO","BFNPPVRRUGXFBD-LDYMZIIASA-N",394292,NA,"PDBC48265","697659","Present",NA,NA
+"48266","NSC697660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697660",NA,"CC1=CN(C(=O)NC1=O)C2CC(N(O2)C)(C)CO","BFNPPVRRUGXFBD-GZMMTYOYSA-N",394293,NA,"PDBC48266","697660","Present",NA,NA
+"48267","NSC697677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697677",NA,"CN(C)C1=CC=C(C=C1)C=C(C2NC(C(=O)O2)CC3=CNC4=CC=CC=C43)NC(=O)C5=CC=CC=C5","IFOLTTSPRPHBHQ-XYGWBWBKSA-N",54608961,NA,"PDBC48267","697677","Present",NA,NA
+"48268","NSC697680",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697680",NA,"CCC1=NC(=NC1=CC2=CC=CO2)NN=CC3=CC=CO3","OHCTVVNNYJXASH-IDMWQADZSA-N",9556339,NA,"PDBC48268","697680","Present",NA,NA
+"48269","NSC697685",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697685",NA,"CC(=O)OC1C#CC=CC#CCC2C1NC2=O","MCVBDEAAMOFQNB-NEQVBQRVSA-N",5470109,NA,"PDBC48269","697685","Present",NA,NA
+"48270","NSC697686",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697686",NA,"CC(=O)OC1C#CC=CC#CCC2C1N(C2=O)C(=O)OC(C)(C)C","ISRXILAUXSHNIP-TUNKGPMQSA-N",5470110,NA,"PDBC48270","697686","Present",NA,NA
+"48271","NSC697698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697698",NA,"CCOC(=O)C=C(C)NC1=NC2=C(CCCC2)C(=C1C#N)C(=O)OC","XWIFDPIQTOKPPN-LUAWRHEFSA-N",5470111,NA,"PDBC48271","697698","Present",NA,NA
+"48272","NSC697759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697759",NA,"CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)N2CCCC2CO","LJVNZQXPQMHXMR-JTQLQIEISA-N",394359,NA,"PDBC48272","697759","Present",NA,NA
+"48273","NSC697760",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697760",NA,"CNC1=C(C=C(C=C1)N)C(=O)N2CCCC2CO","LPDGLYDQXBTKFD-JTQLQIEISA-N",394360,NA,"PDBC48273","697760","Present",NA,NA
+"48274","NSC697761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697761",NA,"CNC1=C(C=CC(=C1)Cl)C(=O)N2CCCC2CO","UHTDELAXZJKXFG-JTQLQIEISA-N",394361,NA,"PDBC48274","697761","Present",NA,NA
+"48275","NSC697762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697762",NA,"CNC1=C(C=C(C=C1)Cl)C(=O)N2CCCC2CO","KPTCHPNPNAUERD-JTQLQIEISA-N",394362,NA,"PDBC48275","697762","Present",NA,NA
+"48276","NSC697763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697763",NA,"CNC1=CC(=C(C=C1C(=O)N2CCCC2CO)OC)OCC3=CC=CC=C3","HTFJJCROWHRSOL-INIZCTEOSA-N",394363,NA,"PDBC48276","697763","Present",NA,NA
+"48277","NSC697764",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697764",NA,"C1CC2C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N2C1","PUERSVHFINIUMP-JTQLQIEISA-N",394364,NA,"PDBC48277","697764","Present",NA,NA
+"48278","NSC697765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697765",NA,"C1CC2C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N2C1","AUNHJVGFQWTEOA-JTQLQIEISA-N",394365,NA,"PDBC48278","697765","Present",NA,NA
+"48279","NSC697766",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697766",NA,"C1CC2C(=O)NC3=C(C=C(C=C3)N)C(=O)N2C1","WDHUXFHNWXKSAU-JTQLQIEISA-N",394366,NA,"PDBC48279","697766","Present",NA,NA
+"48280","NSC697767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697767",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C(=O)N2)OCC4=CC=CC=C4","XMSFBYAKGKJGAQ-INIZCTEOSA-N",394367,NA,"PDBC48280","697767","Present",NA,NA
+"48281","NSC697768",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697768",NA,"COCOC1CC2C(=O)NC3=CC=CC=C3C(=O)N2C1","INDFXRQEEDEGQN-SKDRFNHKSA-N",394368,NA,"PDBC48281","697768","Present",NA,NA
+"48282","NSC697769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697769",NA,"COCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)N3CCCC3C1=O","OPIUKQSVLAXBOJ-LBPRGKRZSA-N",394369,NA,"PDBC48282","697769","Present",NA,NA
+"48283","NSC697770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697770",NA,"COCN1C2=C(C=C(C=C2)N)C(=O)N3CCCC3C1=O","VMDAUOKDZWEDAL-LBPRGKRZSA-N",394370,NA,"PDBC48283","697770","Present",NA,NA
+"48284","NSC697771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697771",NA,"COCN1C2=C(C=CC(=C2)Cl)C(=O)N3CCCC3C1=O","HRYFXBWLZHOJHZ-NSHDSACASA-N",394371,NA,"PDBC48284","697771","Present",NA,NA
+"48285","NSC697772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697772",NA,"COCN1C2=C(C=C(C=C2)Cl)C(=O)N3CCCC3C1=O","WBMYESRHCGKVIX-LBPRGKRZSA-N",394372,NA,"PDBC48285","697772","Present",NA,NA
+"48286","NSC697773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697773",NA,"COCN1C2=C(C=C(C(=C2)CC3=CC=CC=C3)OC)C(=O)N4CCCC4C1=O","ZROCCBGWOHSRHT-SFHVURJKSA-N",394373,NA,"PDBC48286","697773","Present",NA,NA
+"48287","NSC697774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697774",NA,"COCN1C2=CC=CC=C2C(=O)N3CC(CC3C1=O)OCOC","RSFBCVFKGLKMPV-RISCZKNCSA-N",394374,NA,"PDBC48287","697774","Present",NA,NA
+"48288","NSC697775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697775",NA,"COCN1C2=CC=CC=C2C(=O)N3CC(CC3C1=O)O","CWLCTVUHLREKMM-SKDRFNHKSA-N",394375,NA,"PDBC48288","697775","Present",NA,NA
+"48289","NSC697776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697776",NA,"COCN1C2=CC=CC=C2C(=O)N3CC(CC3C1=O)OCC=CCBr","AONVJJPGXXAGRG-GNVQUDOXSA-N",5470120,NA,"PDBC48289","697776","Present",NA,NA
+"48290","NSC697863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697863",NA,"CC1=CN(C(=O)NC1=O)CC2=NCCN2.Cl","MMANNOMAZWHRMQ-UHFFFAOYSA-N",394404,NA,"PDBC48290","697863","Present",NA,NA
+"48291","NSC697864",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697864",NA,"CC1CN=C(N1)CN2C=C(C(=O)NC2=O)C.Cl","NGQITVJJFJJDND-UHFFFAOYSA-N",394406,NA,"PDBC48291","697864","Present",NA,NA
+"48292","NSC697865",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697865",NA,"CC1=CN(C(=O)NC1=O)CC2=NCC(N2)(C)C.Cl","MTNBMBLQSDYVAD-UHFFFAOYSA-N",394408,NA,"PDBC48292","697865","Present",NA,NA
+"48293","NSC697866",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697866",NA,"CC1=CN(C(=O)NC1=O)CC2=NC3CCCCC3N2.Cl","KWKQASLWNBMICC-UHFFFAOYSA-N",394410,NA,"PDBC48293","697866","Present",NA,NA
+"48294","NSC697867",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697867",NA,"CC1=CN(C(=O)NC1=O)CC2=NCCCN2.Cl","BMQIGUKTKSANJP-UHFFFAOYSA-N",394412,NA,"PDBC48294","697867","Present",NA,NA
+"48295","NSC697868",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697868",NA,"CC1=CN(C(=O)NC1=O)CC2=NCC(CN2)(C)C.Cl","JSWAZQWLWSTXSN-UHFFFAOYSA-N",394414,NA,"PDBC48295","697868","Present",NA,NA
+"48296","NSC697869",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697869",NA,"CCC1CCN=C(N1)CN2C=C(C(=O)NC2=O)C.Cl","RVLCJIFKHQJIKE-UHFFFAOYSA-N",394416,NA,"PDBC48296","697869","Present",NA,NA
+"48297","NSC697870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697870",NA,"CCOC(=O)C1(CCCC1=O)CC=CCBr","YWSQFPBTYASBPB-ARJAWSKDSA-N",5470122,NA,"PDBC48297","697870","Present",NA,NA
+"48298","NSC697871",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697871",NA,"CCOC(=O)C1(CCCCCCC1=O)CC=CCBr","HTDXCWUTKRJFDK-FPLPWBNLSA-N",5470123,NA,"PDBC48298","697871","Present",NA,NA
+"48299","NSC697872",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697872",NA,"CCOC(=O)C1(CCCCCCCCCCC1=O)CC=CCBr","GGRMIZURVYJEGX-QXMHVHEDSA-N",5470124,NA,"PDBC48299","697872","Present",NA,NA
+"48300","NSC697883",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697883",NA,"CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NN=C3CCCNC3=O)C","PEOHINVCIYQQEL-BGYNROPQSA-N",5493578,NA,"PDBC48300","697883","Present",NA,NA
+"48301","NSC697892",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697892",NA,"CC(CCC(=O)N1C2CC3CCC2(C3(C)C)CS1(=O)=O)CC=C","GUDJFVSIVSVROS-XSWJXKHESA-N",394436,NA,"PDBC48301","697892","Present",NA,NA
+"48302","NSC697944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697944",NA,"CC1C(CN1S(=O)(=O)C2=CC=C(C=C2)C)(C3=CC=CC=C3)O","AQBILCYZCIMWEM-RHSMWYFYSA-N",394471,NA,"PDBC48302","697944","Present",NA,NA
+"48303","NSC697945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697945",NA,"COC(=O)C1(CC2C(CC(=C2C1)S(=O)(=O)C3=CC=CC=C3)C#N)C(=O)OC","RLFSSQDBNXBGCU-TZMCWYRMSA-N",394472,NA,"PDBC48303","697945","Present",NA,NA
+"48304","NSC697947",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697947",NA,"COC(=O)C1(CC2C(CC(=C2C1)S(=O)(=O)C3=CC=CC=C3)C#N)C(=O)OC","RLFSSQDBNXBGCU-GXTWGEPZSA-N",394474,NA,"PDBC48304","697947","Present",NA,NA
+"48305","NSC697948",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697948",NA,"COC(=O)C1(CC2C(CC(=C2C1)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)C(=O)OC","NPVGPFUNYZWENR-ICSRJNTNSA-N",394475,NA,"PDBC48305","697948","Present",NA,NA
+"48306","NSC698025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698025",NA,"CC1=C(N=C(N=N1)N2C(=NC(=CC3=CC=C(C=C3)Cl)C2=O)C4=CC=C(C=C4)Cl)C=CC5=CC=C(C=C5)N(C)C","IYYNQYWWZTWUAR-BRUZEMJVSA-N",54608483,NA,"PDBC48306","698025","Present",NA,NA
+"48307","NSC698028",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698028",NA,"CC1=NNC(=NC1=CC(C2=CC=CS2)SC3=CC=C(C=C3)Cl)N","RUHVYEWVBWKGEC-UKTHLTGXSA-N",6475382,NA,"PDBC48307","698028","Present",NA,NA
+"48308","NSC698032",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698032",NA,"CC1=C(N=C(N=N1)N)C=CC2=C(C=C(C=C2)Cl)Cl","LLDGBIJHYFKKBZ-HYXAFXHYSA-N",54608481,NA,"PDBC48308","698032","Present",NA,NA
+"48309","NSC698033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698033",NA,"CC1=C(N=C(N=N1)N)C=CC2=CC=C(C=C2)N(C)C","TWTCODGXDACPQI-TWGQIWQCSA-N",54608482,NA,"PDBC48309","698033","Present",NA,NA
+"48310","NSC698034",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698034",NA,"CC1=C(N=C(N=N1)N)C=CC2=CC=CS2","GCQXPUXZVKWDHD-PLNGDYQASA-N",54608501,NA,"PDBC48310","698034","Present",NA,NA
+"48311","NSC698083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698083",NA,"CC(C)CC1=C(C(=O)C1=CC(=O)C)CC(C)C","RPRYXGWQVFNNHA-RIYZIHGNSA-N",5470143,NA,"PDBC48311","698083","Present",NA,NA
+"48312","NSC698164",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698164",NA,"CC(=C1CCCN(C1)CC2=CC=CC=C2)C3=CC=C(C=C3)OC","GOXMOSKPFUTGCF-LVZFUZTISA-N",5470148,NA,"PDBC48312","698164","Present",NA,NA
+"48313","NSC698165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698165",NA,"C1CCC2C(C1)CCCC2=NNC(=S)N","PUEIVNWGKGUUTI-SNBICARYSA-N",9572066,NA,"PDBC48313","698165","Present",NA,NA
+"48314","NSC698167",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698167",NA,"CC(=C)C1(CCCCC1CC(SC2=CC=CC=C2)SC3=CC=CC=C3)O[Si](C)(C)C","DVEYEJRYKJXPKH-GJZUVCINSA-N",394587,NA,"PDBC48314","698167","Present",NA,NA
+"48315","NSC698170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698170",NA,"CC(C)[Si](C(C)C)(C(C)C)OCC=C(C1(CCCCC1CC(OC)OC)O)SC2=CC=CC=C2","VXIWLKZHZSVSDC-GQNSSFMESA-N",5470150,NA,"PDBC48315","698170","Present",NA,NA
+"48316","NSC698171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698171",NA,"CC(=C)C1(CCCCC1CC(SC2=CC=CC=C2)SC3=CC=CC=C3)O","NHRSCCCYKYQGQC-XXBNENTESA-N",394591,NA,"PDBC48316","698171","Present",NA,NA
+"48317","NSC698172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698172",NA,"C=CC1(CCCCC1CC(SC2=CC=CC=C2)SC3=CC=CC=C3)O","JNVLBQIVAGOGES-XMSQKQJNSA-N",394592,NA,"PDBC48317","698172","Present",NA,NA
+"48318","NSC698174",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698174",NA,"COCC=CC1(CCCCC1CC(OC)OC)O","YKDKHHAHSCIGIF-GOCPQTJRSA-N",5470151,NA,"PDBC48318","698174","Present",NA,NA
+"48319","NSC698175",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698175",NA,"CC(C)(C)[Si](C)(C)OCC#CC1(CCCCC1CC(SC2=CC=CC=C2)SC3=CC=CC=C3)O","IXWHTVRXCNXBDR-PEFOLFAWSA-N",394595,NA,"PDBC48319","698175","Present",NA,NA
+"48320","NSC698177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698177",NA,"COCC=CC1(CCCCC1CC(OC)OC)O","YKDKHHAHSCIGIF-LQGBBJIQSA-N",5470152,NA,"PDBC48320","698177","Present",NA,NA
+"48321","NSC698178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698178",NA,"COCC#CC1(CCCCC1CC(OC)OC)O","VYDZTCXVHTYSLR-PYMCNQPYSA-N",394598,NA,"PDBC48321","698178","Present",NA,NA
+"48322","NSC698182",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698182",NA,"CC12CCC(=NN(C)C)C=C1CCC2O[Si](C)(C)C(C)(C)C","QSNJRBJDHJHIHU-ALIAXSDISA-N",9572067,NA,"PDBC48322","698182","Present",NA,NA
+"48323","NSC698184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698184",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C5CC(CCN5CC4)Br","GZQZQXYQSMMYQJ-MRNPHLECSA-N",394604,NA,"PDBC48323","698184","Present",NA,NA
+"48324","NSC698185",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698185",NA,"CC(C1CCC2C3=C(CCN2C1)C4=CC=CC=C4N3)Br","YISWCYRTICNEHH-HSMVNMDESA-N",394605,NA,"PDBC48324","698185","Present",NA,NA
+"48325","NSC698187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698187",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C4=C2C5CCC(CN5CC4)C(C)Br","YKPCSYZUBGHCIJ-IXFSTUDKSA-N",394607,NA,"PDBC48325","698187","Present",NA,NA
+"48326","NSC698190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698190",NA,"CC(=C1CCCN(C1)CC2=CC=CC=C2)SC3=CC=CC=C3.C(=O)(C(=O)O)O","AJJOBLZYWGUOQU-ZJSKVYKZSA-N",5470154,NA,"PDBC48326","698190","Present",NA,NA
+"48327","NSC698192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698192",NA,"CC(C1=CC=CC=C1)NC2CCCC2(C#CC3=CC4=C(C=C3)OCO4)O","AFOLPEJVKYBYSX-SSKFGXFMSA-N",394614,NA,"PDBC48327","698192","Present",NA,NA
+"48328","NSC698193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698193",NA,"C1CC(C(C1)(C#CC2=CC3=C(C=C2)OCO3)O)NCC4=CC=CC=C4","OLWMOSNKCBCNMA-NHCUHLMSSA-N",394615,NA,"PDBC48328","698193","Present",NA,NA
+"48329","NSC698194",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698194",NA,"CC(C1=CC=CC=C1)N(CC#N)C2CCCC2(C=CC3=CC4=C(C=C3)OCO4)O","GVQFQTXGAMOOME-DBEHEBMESA-N",5470155,NA,"PDBC48329","698194","Present",NA,NA
+"48330","NSC698195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698195",NA,"C1CC2C(C(CN2)C3=CC4=C(C=C3)OCO4)C(=O)C1.Cl","CFKAECGVZMYYRA-JEXFAWMMSA-N",394617,NA,"PDBC48330","698195","Present",NA,NA
+"48331","NSC698196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698196",NA,"C1CC2C(C(C1)O)C(CN2)C3=CC4=C(C=C3)OCO4.Cl","IPPDIWYFKSCOPA-MRGCYQTNSA-N",394619,NA,"PDBC48331","698196","Present",NA,NA
+"48332","NSC698197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698197",NA,"C1CC2C(C1)(OCN2)C#CC3=CC4=C(C=C3)OCO4","YTXLJLFTXGXJNR-GJZGRUSLSA-N",394621,NA,"PDBC48332","698197","Present",NA,NA
+"48333","NSC698198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698198",NA,"C1CC(C(C1)(C=CC2=CC3=C(C=C2)OCO3)O)N(CC#N)CC4=CC=CC=C4","KGTXNTXLSUGFGP-XPHCTPJTSA-N",5470158,NA,"PDBC48333","698198","Present",NA,NA
+"48334","NSC698199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698199",NA,"CC(C1=CC=CC=C1)N2COC3(C2CCC3)C#CC4=CC5=C(C=C4)OCO5","NAIKJPWYUUENBU-JJEOQYAHSA-N",394623,NA,"PDBC48334","698199","Present",NA,NA
+"48335","NSC698200",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698200",NA,"CC(C1=CC=CC=C1)C(CC#N)C2CCCC2(C#CC3=CC4=C(C=C3)OCO4)O","XPEYZNLDVVAOPM-BWGVHRMVSA-N",394624,NA,"PDBC48335","698200","Present",NA,NA
+"48336","NSC698201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698201",NA,"CC(C1=CC=CC=C1)N2CC(C3C2CCCC3=O)C4=CC5=C(C=C4)OCO5","UEVURCQRNLWTCZ-RJZVVRIISA-N",394625,NA,"PDBC48336","698201","Present",NA,NA
+"48337","NSC698203",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698203",NA,"C1CC(C(C1)(C#CC2=CC3=C(C=C2)OCO3)O)N(CC#N)CC4=CC=CC=C4","JJNDPYFTNGMDEA-PKTZIBPZSA-N",394627,NA,"PDBC48337","698203","Present",NA,NA
+"48338","NSC698210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698210",NA,"CC(C)(C)OCC=C1C2CC(CC2OC1=O)O[Si](C)(C)C(C)(C)C","GICILCBPXYSVHO-XGIGGAPPSA-N",5470162,NA,"PDBC48338","698210","Present",NA,NA
+"48339","NSC698211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698211",NA,"CC(C)(C)OC=C1C2CC(CC2OC1=O)O[Si](C)(C)C(C)(C)C","NZOSXMAUPPFBKC-BCMANIICSA-N",5470163,NA,"PDBC48339","698211","Present",NA,NA
+"48340","NSC698212",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698212",NA,"CC(=C)C1(CCCC1NC(=O)OC(C)(C)C)O","ZACXCDRPKUSLNU-MFKMUULPSA-N",394636,NA,"PDBC48340","698212","Present",NA,NA
+"48341","NSC698273",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698273",NA,"C1=CC(=C(C(=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)Cl)Cl)Cl.Cl","TWAYIWQXVYBYLL-JKEJZTEDSA-N",9572068,NA,"PDBC48341","698273","Present",NA,NA
+"48342","NSC698278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698278",NA,"COC1=CC=CC(=C1)C=NC(C=CC(=O)OC)(C#N)C#N","VIUKGTSJKRUXDK-RAJBIAOKSA-N",5470182,NA,"PDBC48342","698278","Present",NA,NA
+"48343","NSC698279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698279",NA,"COC(=O)C=CC(C#N)(C#N)N=CC1=CC=C(C=C1)Br","JXZLSCJGRCXWFF-PMUQAUNRSA-N",5470183,NA,"PDBC48343","698279","Present",NA,NA
+"48344","NSC698280",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698280",NA,"COC(=O)C=CC(C#N)(C#N)N=CC1=CC=CS1","RYSJCJPSPUEFAQ-UMICDYAOSA-N",5470184,NA,"PDBC48344","698280","Present",NA,NA
+"48345","NSC698281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698281",NA,"CC1=C(SC=C1)C=NC(C=CC(=O)OC)(C#N)C#N","LZDHDPBBIAXJBI-LEGCWVATSA-N",5470185,NA,"PDBC48345","698281","Present",NA,NA
+"48346","NSC698282",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698282",NA,"COC(=O)C=CC(C#N)(C#N)N=CC1=CC=C(S1)Br","AHWONDOEVCTSBF-ZVJWWATOSA-N",5470186,NA,"PDBC48346","698282","Present",NA,NA
+"48347","NSC698446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698446",NA,"CN(C)C1=CC=C(C=C1)C=NNC(=O)C2=CC=CC=C2NC3=CC=CC=C3C(=O)NN=CC4=CC=C(C=C4)N(C)C","HWGHWJMKOZPYOA-NRYMNODQSA-N",54608785,NA,"PDBC48347","698446","Present",NA,NA
+"48348","NSC698450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698450",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=CC=C(C=C2)[N+](=O)[O-])NC3=CC=CC=C3C(=O)NN=CC4=CC=C(C=C4)[N+](=O)[O-]","DEWDWPMLQOVDAK-QCOHSWCKSA-N",54609000,NA,"PDBC48348","698450","Present",NA,NA
+"48349","NSC698462",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698462",NA,"C1=CC=C(C=C1)N2C(=NN=C2S)C3=CC=CC=C3NC4=CC=CC=C4C5=NN=C(N5C6=CC=CC=C6)S","HNESGFUTTPCSLW-UHFFFAOYSA-N",394759,NA,"PDBC48349","698462","Present",NA,NA
+"48350","NSC698567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698567",NA,"CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)COC(=O)C=CC5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O)O)O","JQRDKJPPZWVTOO-VPKYGTQOSA-N",54609038,NA,"PDBC48350","698567","Present",NA,NA
+"48351","NSC698568",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698568",NA,"CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)COC(=O)C=CC5=CC=C(C=C5)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O","RLSWHCDMMMGSAZ-ISFOIPJBSA-N",54609036,NA,"PDBC48351","698568","Present",NA,NA
+"48352","NSC698569",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698569",NA,"CC1C(C(C(C(O1)OC2C3C=COC(C3C4(C2O4)COC(=O)C=CC5=CC(=C(C=C5)O)OC)OC6C(C(C(C(O6)CO)O)O)O)O)O)O","GNLJJTGKWLYCEK-VVTRYMSHSA-N",54609037,NA,"PDBC48352","698569","Present",NA,NA
+"48353","NSC698606",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698606",NA,"CC1(OC2COC3(C(C2O1)OC(O3)(C)C)C4C(OC(O4)(C)C)CO)C","TYRFSVLXABMDCR-XERVOQTNSA-N",394804,NA,"PDBC48353","698606","Present",NA,NA
+"48354","NSC698607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698607",NA,"CC1(OC2COC3(C(C2O1)OC(O3)(C)C)C4C(OC(O4)(C)C)CO)C","TYRFSVLXABMDCR-AUERKNIXSA-N",394805,NA,"PDBC48354","698607","Present",NA,NA
+"48355","NSC698608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698608",NA,"CC1(OC2COC3(C(C2O1)OC(O3)(C)C)C(CCO)O)C","NQRQVLKEFOWEFJ-FDYKUADKSA-N",394806,NA,"PDBC48355","698608","Present",NA,NA
+"48356","NSC698611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698611",NA,"CC(C(C1=CC=CC=C1)O)N(C)C(=O)C(CC=C)N","RNCFTTJKJVMSSC-IACUBPJLSA-N",394809,NA,"PDBC48356","698611","Present",NA,NA
+"48357","NSC698964",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698964",NA,"C1C(C2=CSC=C2C(=O)N1)N.Cl","DGRUKBUPVFKQEP-UHFFFAOYSA-N",394872,NA,"PDBC48357","698964","Present",NA,NA
+"48358","NSC699001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699001",NA,"CN1C(=NC(=S)N)SC(=N1)S(=O)(=O)N","BEPNVTXPGBKLPD-XVNBXDOJSA-N",6284890,NA,"PDBC48358","699001","Present",NA,NA
+"48359","NSC699019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699019",NA,"COC1=CC=CC2=C1CCC3=CC4=C(N=C(N=C4N=C32)N)N","KJWGBIZKXPYHDB-UHFFFAOYSA-N",394919,NA,"PDBC48359","699019","Present",NA,NA
+"48360","NSC699026",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699026",NA,"CC(=O)OCC(C(C1C(OC(O1)(C)C)C2SCCCS2)OC(=O)C)OC(=O)C","XKVQVNVAMQVQKW-UGUYLWEFSA-N",394925,NA,"PDBC48360","699026","Present",NA,NA
+"48361","NSC699027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699027",NA,"CC1(C(N2C(S1)C(=O)N(C2=S)C3=CC=CC=C3)C(=O)OC)C","PEQGUVGKGOUDGE-CMPLNLGQSA-N",394926,NA,"PDBC48361","699027","Present",NA,NA
+"48362","NSC699028",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699028",NA,"CC1(C2C(=O)N(C(=S)N2CS1)C)C","FATKEBKHHDWHKI-YFKPBYRVSA-N",394927,NA,"PDBC48362","699028","Present",NA,NA
+"48363","NSC699029",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699029",NA,"CC1=NC=C(C(=C1O)C=C2C(=O)NC(=S)S2)COP(=O)(O)O.[Na+]","POTWPDJKXBTELN-WENINEFDSA-N",22619769,NA,"PDBC48363","699029","Present",NA,NA
+"48364","NSC699030",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699030",NA,"CCOP(=O)(C12CC(C=CC1COC2=O)C)OCC","YRFYAMXIDJQUQT-GMXVVIOVSA-N",394930,NA,"PDBC48364","699030","Present",NA,NA
+"48365","NSC699031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699031",NA,"C=C1CN(C2C1C(CCCCC2)C#N)CC3=CC=CC=C3","BDGADMOEKXGKHU-QRVBRYPASA-N",394931,NA,"PDBC48365","699031","Present",NA,NA
+"48366","NSC699067",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699067",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=CC=CC=C4","ZARBUJQWNVFVNC-CJLVFECKSA-N",5470239,NA,"PDBC48366","699067","Present",NA,NA
+"48367","NSC699068",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699068",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=CC=CC=C4Cl","MUBCFLPRXBAQPN-PXLXIMEGSA-N",5470240,NA,"PDBC48367","699068","Present",NA,NA
+"48368","NSC699069",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699069",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","GVNDPDISJHLSQV-PXLXIMEGSA-N",5470241,NA,"PDBC48368","699069","Present",NA,NA
+"48369","NSC699070",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699070",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]","NZVKIFPBOUWGEQ-HYARGMPZSA-N",5470242,NA,"PDBC48369","699070","Present",NA,NA
+"48370","NSC699071",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699071",NA,"COC1=CC=CC=C1N2C(SC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","HKGZMVIFZKIPIF-XQNSMLJCSA-N",5470243,NA,"PDBC48370","699071","Present",NA,NA
+"48371","NSC699072",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699072",NA,"COC1=CC=C(C=C1)N2C(SC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","KDXGVPFUYXOBBH-XQNSMLJCSA-N",5470244,NA,"PDBC48371","699072","Present",NA,NA
+"48372","NSC699073",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699073",NA,"CC(=O)NC1=CC=C(C=C1)N2C(SC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","QQRSWORTWHUOOA-LFVJCYFKSA-N",5470245,NA,"PDBC48372","699073","Present",NA,NA
+"48373","NSC699074",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699074",NA,"CC(=O)NC1=CC(=CC=C1)N2C(SC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","ZLWMIFFGZJVJNJ-BUVRLJJBSA-N",5470246,NA,"PDBC48373","699074","Present",NA,NA
+"48374","NSC699075",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699075",NA,"CC(=O)NC1=CC(=C(C=C1)OC)N2C(SC(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","NSYCIYJIRBAFIA-MFKUBSTISA-N",5470247,NA,"PDBC48374","699075","Present",NA,NA
+"48375","NSC699076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699076",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)C4=C(C=CC(=C4)Cl)Cl","GHFUQQWWCVGEDN-LPYMAVHISA-N",5470248,NA,"PDBC48375","699076","Present",NA,NA
+"48376","NSC699077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699077",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2)C3=CC=CC=C3)CC4=CC=CC=C4","DCDDPESPKOOVBA-XQNSMLJCSA-N",5470249,NA,"PDBC48376","699077","Present",NA,NA
+"48377","NSC699078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699078",NA,"C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=CC(=CC=C5)Cl","MCYLENOOYBCIRL-NLRVBDNBSA-N",5470250,NA,"PDBC48377","699078","Present",NA,NA
+"48378","NSC699079",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699079",NA,"C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=CC=CC=C5","TVGLHFVJTMEEHH-LHLOQNFPSA-N",5470251,NA,"PDBC48378","699079","Present",NA,NA
+"48379","NSC699080",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699080",NA,"C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=CC=CC=C5Cl","ZEAPLOFTXZKOMI-LGUFXXKBSA-N",5470252,NA,"PDBC48379","699080","Present",NA,NA
+"48380","NSC699081",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699081",NA,"C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=CC=C(C=C5)Cl","FNCQMTQAJVNPLQ-LGUFXXKBSA-N",5470253,NA,"PDBC48380","699081","Present",NA,NA
+"48381","NSC699082",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699082",NA,"C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=CC(=CC=C5)[N+](=O)[O-]","HASDQCQFFUQSSC-NLRVBDNBSA-N",5470254,NA,"PDBC48381","699082","Present",NA,NA
+"48382","NSC699083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699083",NA,"COC1=CC=C(C=C1)N2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","ADBRLPVUQJOKQC-NHFJDJAPSA-N",5470255,NA,"PDBC48382","699083","Present",NA,NA
+"48383","NSC699084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699084",NA,"CC(=O)NC1=CC=C(C=C1)N2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","IZCHWBDIAIYRLL-VFCFBJKWSA-N",5470256,NA,"PDBC48383","699084","Present",NA,NA
+"48384","NSC699085",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699085",NA,"CC(=O)NC1=CC(=CC=C1)N2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","DQVCAUSFJHVSOO-TURZUDJPSA-N",5470257,NA,"PDBC48384","699085","Present",NA,NA
+"48385","NSC699086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699086",NA,"CC(=O)NC1=CC(=C(C=C1)OC)N2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","CWXIYGNBKMHHRD-VUTHCHCSSA-N",5470258,NA,"PDBC48385","699086","Present",NA,NA
+"48386","NSC699087",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699087",NA,"C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2)C5=C(C=CC(=C5)Cl)Cl","MYOYYSQXFBLIPQ-YZSQISJMSA-N",5470259,NA,"PDBC48386","699087","Present",NA,NA
+"48387","NSC699089",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699089",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC(=CC=C4)Cl","JJHALLYQHDDHOG-HYARGMPZSA-N",5470261,NA,"PDBC48387","699089","Present",NA,NA
+"48388","NSC699090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699090",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC=CC=C4","OTFPEHVRTOOCSH-CJLVFECKSA-N",5470262,NA,"PDBC48388","699090","Present",NA,NA
+"48389","NSC699091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699091",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC=CC=C4Cl","DEOBMPMMJDKEFH-PXLXIMEGSA-N",5470263,NA,"PDBC48389","699091","Present",NA,NA
+"48390","NSC699092",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699092",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","CYJGHRCSPZFAGJ-PXLXIMEGSA-N",5470264,NA,"PDBC48390","699092","Present",NA,NA
+"48391","NSC699093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699093",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]","UZIJCQQPNFGRQR-HYARGMPZSA-N",5470265,NA,"PDBC48391","699093","Present",NA,NA
+"48392","NSC699094",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699094",NA,"COC1=CC=CC=C1N2C(S(=O)(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","PIGOPBRMNBVLTN-XQNSMLJCSA-N",5470266,NA,"PDBC48392","699094","Present",NA,NA
+"48393","NSC699095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699095",NA,"COC1=CC=C(C=C1)N2C(S(=O)(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","JRHJTPWWTQGTOM-XQNSMLJCSA-N",5470267,NA,"PDBC48393","699095","Present",NA,NA
+"48394","NSC699096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699096",NA,"CC(=O)NC1=CC=C(C=C1)N2C(S(=O)(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","MORFLPYMTHRFCA-LFVJCYFKSA-N",5470268,NA,"PDBC48394","699096","Present",NA,NA
+"48395","NSC699097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699097",NA,"CC(=O)NC1=CC(=CC=C1)N2C(S(=O)(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","DGJMTABFUBICPV-BUVRLJJBSA-N",5470269,NA,"PDBC48395","699097","Present",NA,NA
+"48396","NSC699098",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699098",NA,"CC(=O)NC1=CC(=C(C=C1)OC)N2C(S(=O)(=O)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C2=O)C4=CC=CC=C4","KYCRVFBVSOXRBJ-MFKUBSTISA-N",5470270,NA,"PDBC48396","699098","Present",NA,NA
+"48397","NSC699099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699099",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)C4=C(C=CC(=C4)Cl)Cl","KDRURQJQFMLQKS-LPYMAVHISA-N",5470271,NA,"PDBC48397","699099","Present",NA,NA
+"48398","NSC699100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699100",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N(C(S2(=O)=O)C3=CC=CC=C3)CC4=CC=CC=C4","YJUGOKGUUJYWBA-XQNSMLJCSA-N",5470272,NA,"PDBC48398","699100","Present",NA,NA
+"48399","NSC699101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699101",NA,"C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2(=O)=O)C5=CC(=CC=C5)Cl","ZJQDOCYIHFPWRR-NLRVBDNBSA-N",5470273,NA,"PDBC48399","699101","Present",NA,NA
+"48400","NSC699103",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699103",NA,"C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2(=O)=O)C5=CC=C(C=C5)Cl","HXXDXUCFIHZHHQ-LGUFXXKBSA-N",5470275,NA,"PDBC48400","699103","Present",NA,NA
+"48401","NSC699105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699105",NA,"COC1=CC=CC=C1N2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","ILHVWGGZRITUMF-NHFJDJAPSA-N",5470277,NA,"PDBC48401","699105","Present",NA,NA
+"48402","NSC699106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699106",NA,"COC1=CC=C(C=C1)N2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","TVYLDKXLJBDBIR-NHFJDJAPSA-N",5470278,NA,"PDBC48402","699106","Present",NA,NA
+"48403","NSC699107",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699107",NA,"CC(=O)NC1=CC=C(C=C1)N2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","JTSKYERGQOBFRA-VFCFBJKWSA-N",5470279,NA,"PDBC48403","699107","Present",NA,NA
+"48404","NSC699108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699108",NA,"CC(=O)NC1=CC(=CC=C1)N2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","BHTGTXHUTBHSEK-TURZUDJPSA-N",5470280,NA,"PDBC48404","699108","Present",NA,NA
+"48405","NSC699109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699109",NA,"CC(=O)NC1=CC(=C(C=C1)OC)N2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","VLCGIHYZABMKTN-VUTHCHCSSA-N",5470281,NA,"PDBC48405","699109","Present",NA,NA
+"48406","NSC699110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699110",NA,"C1=CC=C(C=C1)C2N(C(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)S2(=O)=O)C5=C(C=CC(=C5)Cl)Cl","AHLVBUIDEKZIMK-YZSQISJMSA-N",5470282,NA,"PDBC48406","699110","Present",NA,NA
+"48407","NSC699111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699111",NA,"C1=CC=C(C=C1)CN2C(S(=O)(=O)C(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","NUHCEHCEZPDVGK-NHFJDJAPSA-N",5470283,NA,"PDBC48407","699111","Present",NA,NA
+"48408","NSC699112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699112",NA,"COC1=CC=CC=C1N2C(SC(=CC3=CC(=CC=C3)OC4=CC=CC=C4)C2=O)C5=CC=CC=C5","CRNJZIUNIFTLML-NHFJDJAPSA-N",5470284,NA,"PDBC48408","699112","Present",NA,NA
+"48409","NSC699166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699166",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC2CCCCC2OC(=O)C=CC3=CC(=C(C=C3)OC(=O)C)OC(=O)C)OC(=O)C","QXRAYWZLWRHXNY-WUZKTWFTSA-N",5470291,NA,"PDBC48409","699166","Present",NA,NA
+"48410","NSC699168",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699168",NA,"CC(C(C)OC(=O)C=CC1=CC(=C(C=C1)OC(=O)C)OC(=O)C)OC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C","QMHVZMRBDMACJL-XOSPFMELSA-N",5470293,NA,"PDBC48410","699168","Present",NA,NA
+"48411","NSC699169",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699169",NA,"C1CCC(C(C1)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O","ABRIKWKVYABQBU-IATRBJTHSA-N",5470294,NA,"PDBC48411","699169","Present",NA,NA
+"48412","NSC699171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699171",NA,"CC(C(C)OC(=O)C=CC1=CC(=C(C=C1)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O","GHGGDZTYWCJNIP-FLWVTIDTSA-N",5470296,NA,"PDBC48412","699171","Present",NA,NA
+"48413","NSC699226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699226",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","ZYVHAFVXOSOXOK-KRWDZBQOSA-N",395042,NA,"PDBC48413","699226","Present",NA,NA
+"48414","NSC699227",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699227",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","SPXCLYIKWNQLOO-SFHVURJKSA-N",395043,NA,"PDBC48414","699227","Present",NA,NA
+"48415","NSC699228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699228",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","WKVYSVHKRDKKEU-IBGZPJMESA-N",395044,NA,"PDBC48415","699228","Present",NA,NA
+"48416","NSC699229",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699229",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OCCCCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O","NDRMIZMITULHHV-FQEVSTJZSA-N",395045,NA,"PDBC48416","699229","Present",NA,NA
+"48417","NSC699230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699230",NA,"CC1=CC2=C(C=C1)N=CC3CCCN3C2=O","XXWUGEBWTUAJHS-JTQLQIEISA-N",395046,NA,"PDBC48417","699230","Present",NA,NA
+"48418","NSC699235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699235",NA,"CCCCCCCCC#CCCCCCCCCCCC1C(C(OC1=O)C)O.CC1C(C(C(=O)O1)CCCCCCCCCCC#CCCCCCCC=C)O","DNVVWEWPTHBTDD-GJGXDWQFSA-N",6712595,NA,"PDBC48418","699235","Present",NA,NA
+"48419","NSC699331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699331",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)N3C(=O)C4=CC=CC=C4C3=O","QYHXNTRPDUICKI-GUDVDZBRSA-N",395069,NA,"PDBC48419","699331","Present",NA,NA
+"48420","NSC699332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699332",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)CC=C","AJZMFWIZHTZCOB-UHFFFAOYSA-N",395070,NA,"PDBC48420","699332","Present",NA,NA
+"48421","NSC699336",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699336",NA,"C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)CCN(CC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O)O","IPDPZDOHCBLNPF-UHFFFAOYSA-N",395074,NA,"PDBC48421","699336","Present",NA,NA
+"48422","NSC699391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699391",NA,"CC1C(CC2(O1)CCN(CC2)C)(C3=CC=CC=C3)C(C)O.Br","JVJAMXPPLFKRPA-ZTBBUHMRSA-N",395099,NA,"PDBC48422","699391","Present",NA,NA
+"48423","NSC699394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699394",NA,"CCOC(=O)N1CCC2(CC1)CC(C(O2)C)(C(=O)C)SC3=CC=CC=C3","ZCCYPQBEQCASBG-JXFKEZNVSA-N",395103,NA,"PDBC48423","699394","Present",NA,NA
+"48424","NSC699396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699396",NA,"CCOC(=O)N1CCC2(CC1)CC(C(O2)C)(C3=CC=CC=C3)C(=O)C","JFJUUXOJEHWYQH-FZCLLLDFSA-N",395106,NA,"PDBC48424","699396","Present",NA,NA
+"48425","NSC699397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699397",NA,"CCOC(=O)N1CCC2(CC1)CC(C(O2)C)(C)C(=O)C","KQRSCIFDTHXBRN-TYZXPVIJSA-N",395107,NA,"PDBC48425","699397","Present",NA,NA
+"48426","NSC699408",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699408",NA,"CC1(OC(C(O1)CP(C2=CC3=CC=CC=C3C=C2)C4=CC5=CC=CC=C5C=C4)CP(C6=CC7=CC=CC=C7C=C6)C8=CC9=CC=CC=C9C=C8)C","XTRZUIVXMQUJLL-ZYBCLOSLSA-N",395118,NA,"PDBC48426","699408","Present",NA,NA
+"48427","NSC699409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699409",NA,"CC1(OC(C(O1)CP(C2=CC=CC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54)CP(C6=CC=CC7=CC=CC=C76)C8=CC=CC9=CC=CC=C98)C","RVUUGKUBKDAGSX-COCZKOEFSA-N",395119,NA,"PDBC48427","699409","Present",NA,NA
+"48428","NSC699411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699411",NA,"CC1(OC(C(O1)C(=O)OC)C(=O)OC)C2=CC=CC=C2","XFSCUQFGXSPZCK-GHMZBOCLSA-N",395121,NA,"PDBC48428","699411","Present",NA,NA
+"48429","NSC699429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699429",NA,"CCOC(=O)C1(CC(=C(CS1=O)C)C)C(=O)C","HQNQXYYNUBIVCP-YVEFUNNKSA-N",9572073,NA,"PDBC48429","699429","Present",NA,NA
+"48430","NSC699430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699430",NA,"COC1=CC=C(C=C1)N2C3C(C2=O)CC4=CC(=O)CC34","RHAFEQMMAZZUSG-GIJJTGMTSA-N",395139,NA,"PDBC48430","699430","Present",NA,NA
+"48431","NSC699433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699433",NA,"CN(CCN)C(CSSCC(C1=CC=CC=C1O)N(C)CCN)C2=CC=CC=C2O","CFDRXOJXQAYOGK-BGYRXZFFSA-N",395142,NA,"PDBC48431","699433","Present",NA,NA
+"48432","NSC699443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699443",NA,"CCOC(=O)C1CC(N2C1C=CC(=N2)C3=CC=C(C=C3)Br)C(=O)C4=CC=CC=C4","YXTCEGKBNSQSMJ-TYPHKJRUSA-N",395144,NA,"PDBC48432","699443","Present",NA,NA
+"48433","NSC699458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699458",NA,"CCOC(=O)C1CC2COC(N2C1=O)C3=CC=CC=C3","VOCWBPFZTXBBAT-HFUMIRBISA-N",395158,NA,"PDBC48433","699458","Present",NA,NA
+"48434","NSC699459",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699459",NA,"C1C2COC(N2C(=O)C1C(=O)C3=CC=CC=C3)C4=CC=CC=C4","AMPMVHBZCCVDCX-SCVGIUIWSA-N",395159,NA,"PDBC48434","699459","Present",NA,NA
+"48435","NSC699717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699717",NA,"C1=CN(C2=NC=NC(=C21)N)CC=CCO","VBIAGLNRNULIDS-UPHRSURJSA-N",5470326,NA,"PDBC48435","699717","Present",NA,NA
+"48436","NSC699724",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699724",NA,"CN(C)CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=NC1=O)C=C(C=C4)O.Cl","GOHNNLSQWLBJJC-UHFFFAOYSA-N",135505169,NA,"PDBC48436","699724","Present",NA,NA
+"48437","NSC699725",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699725",NA,"CN(C)CCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=NC1=S)C=C(C=C4)OC.Cl","RIOWLVAQWHFAQP-UHFFFAOYSA-N",395250,NA,"PDBC48437","699725","Present",NA,NA
+"48438","NSC699726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699726",NA,"CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=NC1=S)C=C(C=C4)OC.Cl","NJFIVDMYGZIRTL-UHFFFAOYSA-N",395252,NA,"PDBC48438","699726","Present",NA,NA
+"48439","NSC699727",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699727",NA,"CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])N=C4C=CC(=CC4=C3N(C1=S)CCCN(C)C)O.Cl","DTJBCNLMHNTDMX-UHFFFAOYSA-N",395254,NA,"PDBC48439","699727","Present",NA,NA
+"48440","NSC699753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699753",NA,"CC(=O)OC=COC1CCCC1(C2=CC=CC=C2)C3=CC=CC=C3","LKGTZGZTTIMXGR-NXVVXOECSA-N",5470334,NA,"PDBC48440","699753","Present",NA,NA
+"48441","NSC699755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699755",NA,"CC(=O)OC1C(C=[N+](OC1OC2CCCC2)[O-])C3=CC(=C(C=C3)OC)OC","NGRNZGVMHYJOQM-LZQZEXGQSA-N",395277,NA,"PDBC48441","699755","Present",NA,NA
+"48442","NSC699756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699756",NA,"CC(=O)OC1C(C=[N+](OC1OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5CCCCC5","NCRVIABJZOZIQS-YMDQVJCDSA-N",395278,NA,"PDBC48442","699756","Present",NA,NA
+"48443","NSC699757",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699757",NA,"CC(=O)OC1C(C=[N+](OC1OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5=CC=CC=C5","ZJFNRGLKBZBXOR-UBOLQYRXSA-N",395279,NA,"PDBC48443","699757","Present",NA,NA
+"48444","NSC699758",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699758",NA,"CCC1(C=[N+](OC(C1OC(=O)C)OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])CC5=CC(=C(C=C5)OC)OC","UOUVUOCDDCWLPU-UCJDAUIDSA-N",395280,NA,"PDBC48444","699758","Present",NA,NA
+"48445","NSC699759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699759",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2)OC(=O)C)C3CCCCC3","RCFQFICHXFOPDU-RTBURBONSA-N",395281,NA,"PDBC48445","699759","Present",NA,NA
+"48446","NSC699760",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699760",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC(C(C2)OC(=O)C)C3CCCCC3","RCFQFICHXFOPDU-MOPGFXCFSA-N",395282,NA,"PDBC48446","699760","Present",NA,NA
+"48447","NSC699761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699761",NA,"CCC1(C2CC(ON2OC(C1OC(=O)C)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)CC6=CC(=C(C=C6)OC)OC","CWNGBWDHKOFJDV-WGLRSOQMSA-N",395283,NA,"PDBC48447","699761","Present",NA,NA
+"48448","NSC699763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699763",NA,"CCC1(C=[N+](OC(C1OC(=O)C(C)(C)C)OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])CC5=CC(=C(C=C5)OC)OC","LHEGLWYTLDRTJX-DLZBCRBASA-N",395284,NA,"PDBC48448","699763","Present",NA,NA
+"48449","NSC699764",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699764",NA,"CC(=O)OC1C(C2CC(ON2OC1OCC3=CC=CC=C3)C(=O)OC)C4=CC=CC=C4Br","QXCDQPXPJHGBJJ-XANJAXJYSA-N",395285,NA,"PDBC48449","699764","Present",NA,NA
+"48450","NSC699767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699767",NA,"CCC1(C=[N+](OC(C1OC(=O)C2=CC=CC=C2)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5)[O-])CC6=CC(=C(C=C6)OC)OC","YZARHHJVMXTBDM-MYLAWAGJSA-N",395287,NA,"PDBC48450","699767","Present",NA,NA
+"48451","NSC699771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699771",NA,"CC(=O)OC1C(O[N+](=CC12COCC3=CC4=C(C=C23)OCO4)[O-])OC5CCCC5(C6=CC=CC=C6)C7=CC=CC=C7","VKMXGGOAOVREOR-BQFSGGQZSA-N",6712598,NA,"PDBC48451","699771","Present",NA,NA
+"48452","NSC699772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699772",NA,"CCC1(C2CC(ON2OC(C1OC(=O)C)OC3CCCC3(C4=CC=CC=C4)C5=CC=CC=C5)C(OCC)OCC)CC6=CC(=C(C=C6)OC)OC","VBDIRCPYWWUANW-HRBJLKCDSA-N",395291,NA,"PDBC48452","699772","Present",NA,NA
+"48453","NSC699774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699774",NA,"CCC1(C=[N+](OC(C1OC(=O)C)OC2CCCC2(C3=CC=CC=C3)C4=CC=CC=C4)[O-])C5=CC6=C(C=C5)OCO6","PZBDNPXRMUGYMJ-NZLCMKNMSA-N",395293,NA,"PDBC48453","699774","Present",NA,NA
+"48454","NSC699775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699775",NA,"CC(=O)OC1C(O[N+](=CC12CCCCC2)[O-])OC3CCCCC3(C4=CC=CC=C4)C5=CC=CC=C5","LMFHUGSYVSOARR-NODVFIEMSA-N",395294,NA,"PDBC48454","699775","Present",NA,NA
+"48455","NSC699776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699776",NA,"C1OC2=C(O1)C=C(C=C2)C(=C[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3","GQODURQXCRUTAV-UKTHLTGXSA-N",5470337,NA,"PDBC48455","699776","Present",NA,NA
+"48456","NSC699781",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699781",NA,"COC(C1=CC=CC=C1)C(=O)OC2C(C3C(CCN3O2)OC(=O)C4=CC=CC=C4)C(=O)OC","OQFYYDNHLYZLOL-BORCDFBASA-N",395300,NA,"PDBC48456","699781","Present",NA,NA
+"48457","NSC699782",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699782",NA,"CCOC(=O)C1C2C3C(CC(ON3O1)OC4CCCCC4C5=CC=CC=C5)OC2=O","RWVCVKODZYXWHH-XJMRDUPHSA-N",395301,NA,"PDBC48457","699782","Present",NA,NA
+"48458","NSC699783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699783",NA,"CCOC(=O)C1C2C3C(CC(ON3O1)OC4CCCCC4C5=CC=CC=C5)OC2=O","RWVCVKODZYXWHH-NBQNZARNSA-N",395302,NA,"PDBC48458","699783","Present",NA,NA
+"48459","NSC699784",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699784",NA,"CCOC(=O)C1C2C3C(CC(ON3O1)OC4CCCC4(C5=CC=CC=C5)C6=CC=CC=C6)OC2=O","HLZJVFBGLRFUNF-XWOCQQSKSA-N",395303,NA,"PDBC48459","699784","Present",NA,NA
+"48460","NSC699786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699786",NA,"CCOC(=O)C1C2C3C(CC(ON3O1)OC4CCCC4(C5=CC=CC=C5)C6=CC=CC=C6)OC2=O","HLZJVFBGLRFUNF-CCGZYNPNSA-N",395305,NA,"PDBC48460","699786","Present",NA,NA
+"48461","NSC699789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699789",NA,"CC(C)(C)OC(=O)C1C2C3C(CC(ON3O1)OC4CCCC4(C5=CC=CC=C5)C6=CC=CC=C6)OC2=O","SVPMUUDDWIKRTA-FCBUWFEXSA-N",395308,NA,"PDBC48461","699789","Present",NA,NA
+"48462","NSC699790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699790",NA,"COC1C2C3C(O1)CCN3C(=O)C2OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","SUBQCFNTFGFEFN-ZQXRSDGYSA-N",395309,NA,"PDBC48462","699790","Present",NA,NA
+"48463","NSC699791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699791",NA,"CC12C3CCC1C(ON2OC(C3)OC4CCCCC4C(C)(C)C5=CC=CC=C5)C(=O)OC","FZEZICHAKKZJHI-CZSMGWNOSA-N",395310,NA,"PDBC48463","699791","Present",NA,NA
+"48464","NSC699793",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699793",NA,"CS(=O)(=O)C1=CC=C(C=C1)C(=O)OC2C3C4C(CCN4C2=O)OC3O","RMVPYUWQRUYMJQ-JPTLGQBTSA-N",395312,NA,"PDBC48464","699793","Present",NA,NA
+"48465","NSC699794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699794",NA,"C1C(C2C3N1C(=O)C(C3C(O2)O)O)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","GGPSDYYEMJFGAM-VRZKMXGTSA-N",6712599,NA,"PDBC48465","699794","Present",NA,NA
+"48466","NSC699796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699796",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2C3C4C(C(CN4C2=O)O)OC3OC","UHAYWCIBDZTMSA-XIQPXJICSA-N",395314,NA,"PDBC48466","699796","Present",NA,NA
+"48467","NSC699797",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699797",NA,"CCOC(=O)C1C2C3C(C(C(ON3O1)OC4CCCC4(C5=CC=CC=C5)C6=CC=CC=C6)OC(=O)C)OC2=O","CVEFFPKOIOBXQS-BMUFJFTRSA-N",6712600,NA,"PDBC48467","699797","Present",NA,NA
+"48468","NSC699799",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699799",NA,"CC(C)OC(=O)C1C2C3C(C(C(ON3O1)OC4CCCCC4C5=CC=CC=C5)[Si](C)(C)C6=CC=CC=C6)OC2=O","KCGKQMXAEDBFEJ-GJZXXNLKSA-N",395316,NA,"PDBC48468","699799","Present",NA,NA
+"48469","NSC699804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699804",NA,"CC1(C2CCC1(C(=O)C2NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C)C","QDAWCNQBXDDCPC-UYJPIKCFSA-N",395322,NA,"PDBC48469","699804","Present",NA,NA
+"48470","NSC699807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699807",NA,"CC1(C2CCC1(C(C2NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)O)C)C","LUMSGJBXGPZDQX-IOSBVQAASA-N",395325,NA,"PDBC48470","699807","Present",NA,NA
+"48471","NSC699812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699812",NA,"CCC(=COC)P1(=O)N(CC(O1)(C)C)C(C)(C)C","OFXVJBOEFWIBKG-LUAWRHEFSA-N",5470344,NA,"PDBC48471","699812","Present",NA,NA
+"48472","NSC699820",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699820",NA,"C1CCC(C(C1)NS(=O)(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])NS(=O)(=O)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]","SYLBEXNEKUBWKT-ZIAGYGMSSA-N",395338,NA,"PDBC48472","699820","Present",NA,NA
+"48473","NSC699822",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699822",NA,"C1CCC23CCCN2C(=O)C(C3C1)OC(=S)C=NC=N","YYPRZTMOWBWZIK-VHRBIJSZSA-N",395340,NA,"PDBC48473","699822","Present",NA,NA
+"48474","NSC699823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699823",NA,"C1CCC23CCCN2C(=O)C(C3C1)O","NUSRHDNAFJUQLF-ATZCPNFKSA-N",395341,NA,"PDBC48474","699823","Present",NA,NA
+"48475","NSC699824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699824",NA,"C1CC2C(C(=O)N3C2(C1)CCC3)O","FBWXWTXDJFZJGE-QXFUBDJGSA-N",395342,NA,"PDBC48475","699824","Present",NA,NA
+"48476","NSC699828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699828",NA,"CC(C)N1C2CCCCC2N([P+]1=O)C(C)C","AZZWVFOPRQJZRS-VXGBXAGGSA-N",6331596,NA,"PDBC48476","699828","Present",NA,NA
+"48477","NSC699834",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699834",NA,"CC1CC2C3CCC4=CC(=O)C=CC4(C3=CCC2(C1(C(=O)CO)O)C)C","ZYTXTXAMMDTYDQ-AKXKBWEISA-N",395352,NA,"PDBC48477","699834","Present",NA,NA
+"48478","NSC699842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699842",NA,"CCCCCCCCCCCCN1C2CCCC2C(C3C1CCC3)O","CRTCJIUVJGSNJR-CZYKHXBRSA-N",395360,NA,"PDBC48478","699842","Present",NA,NA
+"48479","NSC699843",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699843",NA,"CCOC(=O)N1C2CCCC2C(=O)C3C1CCC3","ZCVIPGRYPWCRPU-IWDIQUIJSA-N",395361,NA,"PDBC48479","699843","Present",NA,NA
+"48480","NSC699981",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699981",NA,"CC(C)(C)OC(=O)NC1CCCCC12N(O2)C(CC3=CC=CC=C3)C(=O)OC","FHGQYJRGXRTTCZ-QNADOQGOSA-N",5470356,NA,"PDBC48480","699981","Present",NA,NA
+"48481","NSC700120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700120",NA,"COC(=O)C1C(C1(CBr)Br)C(=O)OC","DOUBHCUUZBHXSK-YLTAPMQJSA-N",395479,NA,"PDBC48481","700120","Present",NA,NA
+"48482","NSC700121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700121",NA,"C(C1(C(C1C(=O)O)C(=O)O)Br)Br","YWURKUHKITZMCF-LYEKHPTQSA-N",395480,NA,"PDBC48482","700121","Present",NA,NA
+"48483","NSC700125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700125",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)C3=CC=CS3","PUBVTYYUBAGESR-RAXLEYEMSA-N",54611349,NA,"PDBC48483","700125","Present",NA,NA
+"48484","NSC700205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700205",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CSC=C2","UREUCWDGXKLIIY-SREVYHEPSA-N",54608846,NA,"PDBC48484","700205","Present",NA,NA
+"48485","NSC700206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700206",NA,"C1=CC=C(C=C1)C2=CC=CC=C2C=CC(=O)C3=CC=CC=C3","QNCVIMGJHDEDAS-NXVVXOECSA-N",54611352,NA,"PDBC48485","700206","Present",NA,NA
+"48486","NSC700207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700207",NA,"C1COC(O1)(C=CC2=CC=CC=C2Br)C3=CC=CC=C3","FJZFNDZAOAMIOQ-KHPPLWFESA-N",54611351,NA,"PDBC48486","700207","Present",NA,NA
+"48487","NSC700208",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700208",NA,"C1COC(O1)(C=CC2=CC=CC=C2Cl)C3=CC=CC=C3","GWTDYTWDOROIAI-KHPPLWFESA-N",54611353,NA,"PDBC48487","700208","Present",NA,NA
+"48488","NSC700267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700267",NA,"C1C(NC2=CC3=C(C=C2C1=O)OCO3)C4=CC(=CC=C4)F","IJYJIPDFDHBJTD-UHFFFAOYSA-N",395561,NA,"PDBC48488","700267","Present",NA,NA
+"48489","NSC700360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700360",NA,"C1=CC(=C(C2=C1C(=O)C(=C3C(=O)C4=C(S3)C(=C(C=C4)Cl)Cl)S2)Cl)Cl","LQBJALMMLCOKRD-FOCLMDBBSA-N",5470369,NA,"PDBC48489","700360","Present",NA,NA
+"48490","NSC700362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700362",NA,"C(#N)C(=C(C#N)NC(=O)C(=O)NC(=C(C#N)N)C#N)N","CZVFLHJYNNNIAJ-SFECMWDFSA-N",5470370,NA,"PDBC48490","700362","Present",NA,NA
+"48491","NSC700421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700421",NA,"C1CCC2C(C1)NC(=N2)C3=C(C4=CC=CC=C4C=C3)O","QALFKDRUYAMBAW-GJZGRUSLSA-N",395639,NA,"PDBC48491","700421","Present",NA,NA
+"48492","NSC700428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700428",NA,"C1CCC2C(C1)NC3(N2C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl","MXXCXERMDNXHFJ-ZOVQDZKKSA-N",395646,NA,"PDBC48492","700428","Present",NA,NA
+"48493","NSC700429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700429",NA,"C1CCC2C(C1)NC3(N2C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl","MXXCXERMDNXHFJ-IJXZTRCJSA-N",395647,NA,"PDBC48493","700429","Present",NA,NA
+"48494","NSC700462",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700462",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)SCCO","NZEUEGWIRIHOQF-UHFFFAOYSA-N",395678,NA,"PDBC48494","700462","Present",NA,NA
+"48495","NSC700464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700464",NA,"COC(=O)C12CSCC1CC(N2)C3=CC=CC4=CC=CC=C43","VXKODLAINABPIV-QBIMZIAESA-N",395680,NA,"PDBC48495","700464","Present",NA,NA
+"48496","NSC700582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700582",NA,"CCCCN1C2=C(N(C1=S)CCCC)SSSSC3=C2N(C(=S)N3CCCC)CCCC","VHDXPGUSRCEYPD-UHFFFAOYSA-N",395763,NA,"PDBC48496","700582","Present",NA,NA
+"48497","NSC700583",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700583",NA,"CCCCN1C2=C(N(C1=S)CCCC)S[Se][Se]SC3=C2N(C(=S)N3CCCC)CCCC","RHAPOTFDYQZEFQ-UHFFFAOYSA-N",395764,NA,"PDBC48497","700583","Present",NA,NA
+"48498","NSC700584",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700584",NA,"CCCCN1C2=C(N(C1=[Se])CCCC)S[Se][Se]SC3=C2N(C(=[Se])N3CCCC)CCCC","DNFLZCXMDHRDQI-UHFFFAOYSA-N",395765,NA,"PDBC48498","700584","Present",NA,NA
+"48499","NSC700834",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700834",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO[Si](C)(C)C(C)(C)C)(CC=C)O","UBGWTWUGHWCZRU-UHFFFAOYSA-N",395831,NA,"PDBC48499","700834","Present",NA,NA
+"48500","NSC700835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700835",NA,"CC(C)(C)[Si](C)(C)OCC1C(=NO)C(C(O1)N2C=CC(=O)NC2=O)O[Si](C)(C)C(C)(C)C","HRGRFZLKWPCHPI-XQNSMLJCSA-N",6049082,NA,"PDBC48500","700835","Present",NA,NA
+"48501","NSC700836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700836",NA,"CC(C)(C)[Si](C)(C)OCC1C(=CC(=O)OC)C(C(O1)N2C=CC(=O)NC2=O)O","PTJIYYNOAIUMBK-PKNBQFBNSA-N",5470397,NA,"PDBC48501","700836","Present",NA,NA
+"48502","NSC700838",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700838",NA,"CC(C)(C)[Si](C)(C)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)CC=C)O[Si](C)(C)C(C)(C)C","ZUYKHQFLMLDXJZ-UHFFFAOYSA-N",395835,NA,"PDBC48502","700838","Present",NA,NA
+"48503","NSC700839",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700839",NA,"CC1=CN(C(=O)NC1=O)C2CCC(O2)C=NO","XORFVXOEVUYCGG-WCIBSUBMSA-N",5925915,NA,"PDBC48503","700839","Present",NA,NA
+"48504","NSC700860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700860",NA,"C1C(C2=C(SC(=C2C1N)Cl)Cl)N.Cl","BLDRQISQYVPXEO-JZXMGJPMSA-N",395857,NA,"PDBC48504","700860","Present",NA,NA
+"48505","NSC700974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC700974",NA,"CC1=NC(C(O1)C=CC2=CC=CC=C2)(C(=O)OC)C(=O)OC","YYPSNIAHFHRRQM-MDZDMXLPSA-N",5470401,NA,"PDBC48505","700974","Present",NA,NA
+"48506","NSC701373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701373",NA,"COC1=CC=C(C2=CC=CC=C21)C3=C(C(=O)NC(=C3)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)Cl)C#N","JFDBHILMMOEWCY-UHFFFAOYSA-N",396046,NA,"PDBC48506","701373","Present",NA,NA
+"48507","NSC701375",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701375",NA,"C1=CC(=CC=C1C2=NC(=C(C(=C2)C3=CC=C(C=C3)[N+](=O)[O-])C#N)N)NC4=C5C=CC(=CC5=NC=C4)Cl","BWJPZFXOFSDRLV-UHFFFAOYSA-N",396048,NA,"PDBC48507","701375","Present",NA,NA
+"48508","NSC701651",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701651",NA,"CC1C(C(OC1=O)CC(=C)CCCC#C)O","VJPQHRQHUZSTKG-WOPDTQHZSA-N",396103,NA,"PDBC48508","701651","Present",NA,NA
+"48509","NSC701652",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701652",NA,"CC1C(OC1=O)C(CO)O","SKLYVWVURSIBBW-VPENINKCSA-N",396104,NA,"PDBC48509","701652","Present",NA,NA
+"48510","NSC701654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701654",NA,"CC1C(OC1=O)C2COC(O2)(C)C","WYDQMXPRLKNDOT-QYNIQEEDSA-N",396106,NA,"PDBC48510","701654","Present",NA,NA
+"48511","NSC701655",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701655",NA,"CN(C)C1=CC=C(C=C1)C2CC3CSCC3(N2)C(=O)OC","WTSUOXOXGJZUOL-XPKDYRNWSA-N",396107,NA,"PDBC48511","701655","Present",NA,NA
+"48512","NSC701663",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701663",NA,"C1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)Br)CCCCCCN.Cl","LLCAGEIEKQMTHS-UHFFFAOYSA-N",396115,NA,"PDBC48512","701663","Present",NA,NA
+"48513","NSC701667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701667",NA,"COC1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2CC(C4=CC=C(C=C4)[N+](=O)[O-])O.Br","KHDAVVWQNWURHQ-UHFFFAOYSA-N",396121,NA,"PDBC48513","701667","Present",NA,NA
+"48514","NSC701669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701669",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=C(C=C(C=C4)Cl)Cl)CC=C.Cl","SNAYKGPUHVQHKV-UHFFFAOYSA-N",396124,NA,"PDBC48514","701669","Present",NA,NA
+"48515","NSC701671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701671",NA,"CC1=CC=C(C=C1)C2=CSC(=NC3=CC=CC=C3)N2NC(=O)C4=CC=NC=C4.Br","XAMKGTHSHZWQOP-UHFFFAOYSA-N",396127,NA,"PDBC48515","701671","Present",NA,NA
+"48516","NSC701673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701673",NA,"CC1(C2CCC(C2)(C1=NO)OS(=O)(=O)C(F)(F)F)C","BNBHUGMYSUJSBV-VGOFMYFVSA-N",5493593,NA,"PDBC48516","701673","Present",NA,NA
+"48517","NSC701675",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701675",NA,"CC1(C2CCC(C2)(C1N)O)C.Cl","JUNNQPOESOTURL-UHFFFAOYSA-N",396131,NA,"PDBC48517","701675","Present",NA,NA
+"48518","NSC701676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701676",NA,"CC1(C2CCC(C2)(C1=NO)C#N)C","NUXOVZRBOZONAS-XYOKQWHBSA-N",5493594,NA,"PDBC48518","701676","Present",NA,NA
+"48519","NSC701678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701678",NA,"CC1(C2CCC(C2)(C1O)CN)C.Cl","QGKBZBJZBZKNKG-UHFFFAOYSA-N",396134,NA,"PDBC48519","701678","Present",NA,NA
+"48520","NSC701679",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701679",NA,"CC1(C2CCC(C2)(C1N)CN)C.Cl","LIXPGOXVZFFJNT-UHFFFAOYSA-N",396136,NA,"PDBC48520","701679","Present",NA,NA
+"48521","NSC701680",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701680",NA,"CC1(C2CCC(C2)(C1=O)N)C.Cl","LUPDNPNKLGXMEW-UHFFFAOYSA-N",396138,NA,"PDBC48521","701680","Present",NA,NA
+"48522","NSC701681",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701681",NA,"CC1(C2CCC(C2)(C1O)N)C.Cl","BMGQITKCULFLGP-UHFFFAOYSA-N",396140,NA,"PDBC48522","701681","Present",NA,NA
+"48523","NSC701683",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701683",NA,"CCNC12CCC(C1)C(C2=O)(C)C.Cl","RVUPGLTZCNZOAZ-UHFFFAOYSA-N",396144,NA,"PDBC48523","701683","Present",NA,NA
+"48524","NSC701731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701731",NA,"CC1=CC=C(C=C1)S(=O)(=O)C(C2C(=NNC(=N2)Cl)C3=CC=CC=C3)Cl","AAIPRLLMKGLEMW-JKSUJKDBSA-N",396183,NA,"PDBC48524","701731","Present",NA,NA
+"48525","NSC701821",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701821",NA,"CC12CCC3C(C1CC(=CC4=CC=C(C=C4)N(C)C)C2=O)CCC5=C3C=CC(=C5)OCCN6CCCC6","FERACRKRUZXFEH-PXCKSRRXSA-N",5470449,NA,"PDBC48525","701821","Present",NA,NA
+"48526","NSC701822",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701822",NA,"CC12CCC3C(C1CC(=CC4=CC=C(C=C4)N(C)C)C2O)CCC5=C3C=CC(=C5)OCCN6CCCC6","QDFSIARIDWFWDY-ACNHUZAFSA-N",5470450,NA,"PDBC48526","701822","Present",NA,NA
+"48527","NSC701982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701982",NA,"C1C(C(C(C2N1C(=O)C3=CC=CC=C23)CC(=O)O)O)O","YHXBPVSAPMNQKR-YRRQLQLVSA-N",396284,NA,"PDBC48527","701982","Present",NA,NA
+"48528","NSC701983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701983",NA,"C1C2C(C(CN3C2C4=CC=CC=C4C3=O)O)OC1=O","JGUUJQHFPZOMFV-LYIQGSDWSA-N",396285,NA,"PDBC48528","701983","Present",NA,NA
+"48529","NSC702027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC702027",NA,"C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=NN3C(=O)C4=CC=CC=C4NC3=S)N","DXZALFIVDJFYQB-UHFFFAOYSA-N",5494384,NA,"PDBC48529","702027","Present",NA,NA
+"48530","NSC703220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC703220",NA,"CCCCC1C(COC(=O)N1C(C)C2=CC=CC=C2)OCOC3=CC=CC=C3","XITOSKZITWWJNN-COPCDDAFSA-N",396691,NA,"PDBC48530","703220","Present",NA,NA
+"48531","NSC703981",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC703981",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NC(COC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C","DYNBPLCSQQIQFD-IWFCCWKRSA-N",6475307,NA,"PDBC48531","703981","Present",NA,NA
+"48532","NSC703982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC703982",NA,"CC(=O)OC1=C(C=C(C=C1)C=CC(=O)NC(COC(=O)C=CC2=CC(=C(C=C2)OC(=O)C)OC(=O)C)C(=O)OC)OC(=O)C","DYNBPLCSQQIQFD-GNLSCFOOSA-N",6475305,NA,"PDBC48532","703982","Present",NA,NA
+"48533","NSC704381",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC704381",NA,"CC1CCC2C(CC3C2(C1=O)C(=O)C4(C3C(OC4=O)(C)C)C)C","LUSIDMIZRMEVBC-CLKWZOJHSA-N",397071,NA,"PDBC48533","704381","Present",NA,NA
+"48534","NSC704887",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC704887",NA,"CCOC(=O)CN1C(=O)C(=CN(C1=O)C(=CC(=O)OCC)C(=O)OCC)Cl","BOMIWOJHWUDZFZ-XFFZJAGNSA-N",5470767,NA,"PDBC48534","704887","Present",NA,NA
+"48535","NSC704888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC704888",NA,"CCOC(=O)CN1C(=O)C(=CN(C1=O)C(=CC(=O)OCC)C(=O)OCC)Cl","BOMIWOJHWUDZFZ-YRNVUSSQSA-N",5470768,NA,"PDBC48535","704888","Present",NA,NA
+"48536","NSC705151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705151",NA,NA,NA,NA,NA,"PDBC48536","705151","Present",NA,NA
+"48537","NSC705435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705435",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)C7=CC=C(C=C7)C=NC8C9COC(=O)C9C(C1=CC2=C(C=C81)OCO2)C1=CC(=C(C(=C1)OC)O)OC)O)OC(=O)C1=CC=CC=C1)(CO4)OC(=O)C)O)C)OC(=O)C","NVWULXHPCFPAAV-VKGQPIDTSA-N",16129931,NA,"PDBC48537","705435","Present",NA,NA
+"48538","NSC705437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705437",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)C7=CC=C(C=C7)C=NC8=CC=C(C=C8)NC9C1COC(=O)C1C(C1=CC2=C(C=C91)OCO2)C1=CC(=C(C(=C1)OC)O)OC)O)OC(=O)C1=CC=CC=C1)(CO4)OC(=O)C)O)C)OC(=O)C","SSPVPDMBKRINOE-DNZTZBJBSA-N",16129933,NA,"PDBC48538","705437","Present",NA,NA
+"48539","NSC705585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705585",NA,"COC1=CC(=CC(=C1O)OC)C=C2CCCC(=CC3=CC(=C(C(=C3)OC)O)OC)C2=O","QMHMTEMGAVZCQH-GONBZBRSSA-N",5470821,NA,"PDBC48539","705585","Present",NA,NA
+"48540","NSC705588",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705588",NA,"C1CC(=CC2=CC(=C(C=C2)O)[N+](=O)[O-])C(=O)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C1","FOIOQZCMZJVONY-VOMDNODZSA-N",5470824,NA,"PDBC48540","705588","Present",NA,NA
+"48541","NSC705591",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705591",NA,"COC1=CC(=CC(=C1O)OC)C=C2CCC(=CC3=CC(=C(C(=C3)OC)O)OC)C2=O","RZFRGTCAMDRPMQ-BGPOSVGRSA-N",2407524,NA,"PDBC48541","705591","Present",NA,NA
+"48542","NSC705593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705593",NA,"COC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)OC(=O)CCCCC4CCSS4)OC)C2=O)OC(=O)CCCCC5CCSS5","MXHCYEXTUGNNNW-UFSUQUSASA-N",5470827,NA,"PDBC48542","705593","Present",NA,NA
+"48543","NSC706007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706007",NA,NA,NA,NA,NA,"PDBC48543","706007","Present",NA,NA
+"48544","NSC706008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706008",NA,NA,NA,NA,NA,"PDBC48544","706008","Present",NA,NA
+"48545","NSC706018",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706018",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4O)C)N6CCCC6","SREDURSYPQFHFS-QWXPEDGLSA-N",5470873,NA,"PDBC48545","706018","Present",NA,NA
+"48546","NSC706020",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706020",NA,"CC(=O)OC1C(=CC2=CC(=C(C(=C2)OC)OC)OC)CC3C1(CCC4C3CC=C5C4(CCC(C5)N6CCCC6)C)C","QFROOHUZVMEHOF-IVASFTFCSA-N",5470875,NA,"PDBC48546","706020","Present",NA,NA
+"48547","NSC706089",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706089",NA,"CC1=CN(C(=O)NC1=O)C2C(C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(O3)C(=O)OC)O[Si](C)(C)C(C)(C)C","CEHRWWGFCKISDJ-XVAUCBHCSA-N",397689,NA,"PDBC48547","706089","Present",NA,NA
+"48548","NSC706090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706090",NA,"CC1=CN(C(=O)NC1=O)C2C(C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(O3)C(=O)NO)O[Si](C)(C)C(C)(C)C","JHZRGFANOMJGNP-CDKUKRTFSA-N",397690,NA,"PDBC48548","706090","Present",NA,NA
+"48549","NSC706091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706091",NA,"CC1=CN(C(=O)NC1=O)C2C(C3(C(O2)CO[Si](C)(C)C(C)(C)C)C(O3)C(=O)NN)O[Si](C)(C)C(C)(C)C","VCJKQDMIZKSJHQ-CDKUKRTFSA-N",397691,NA,"PDBC48549","706091","Present",NA,NA
+"48550","NSC706214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706214",NA,"CN1CC(=CC2=CC=C(C=C2)OC)C3=C(C1)C(=C(C(=O)N3)C#N)C4=CC=C(C=C4)OC","SJNWCMXOUUWCKT-LDADJPATSA-N",5470917,NA,"PDBC48550","706214","Present",NA,NA
+"48551","NSC707410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC707410",NA,"CC1C(C(C(C(O1)NCCNCCNC2C(C(C(C(O2)C)O)O)O)O)O)O.Cl","SJGLVSJACVFEBZ-UHFFFAOYSA-N",398070,NA,"PDBC48551","707410","Present",NA,NA
+"48552","NSC708048",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC708048",NA,"CCOC(=O)C=CC(C#N)(C#N)N=CC1=CSC=C1","VLICLSDQVFWEPK-LEGCWVATSA-N",5471063,NA,"PDBC48552","708048","Present",NA,NA
+"48553","NSC708069",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC708069",NA,NA,NA,NA,NA,"PDBC48553","708069","Present",NA,NA
+"48554","NSC710499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC710499",NA,"C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN(N=N4)COCCO","SFGCUMYIORUHLM-UHFFFAOYSA-N",399602,NA,"PDBC48554","710499","Present",NA,NA
+"48555","NSC710510",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC710510",NA,"C1=CC=C(C=C1)CSC2=NC=NC3=C2C=NN3CC4=CN=NN4COCCO","UOJLLMJLQIYHCM-UHFFFAOYSA-N",399613,NA,"PDBC48555","710510","Present",NA,NA
+"48556","NSC71071",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC71071",NA,"CC1=NC=C(C2=C1OC(OC2)(C)C)CCl.Cl","MBHPZUUGVMVQMH-UHFFFAOYSA-N",9549383,NA,"PDBC48556","71071","Present",NA,NA
+"48557","NSC71284",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC71284",NA,"CC1=CC(=NC(=N1)SC)NC2=CC(=C(C=C2)O)CN3CCCCC3.Cl","JYKCIWOIKFNXQI-UHFFFAOYSA-N",54599472,NA,"PDBC48557","71284","Present",NA,NA
+"48558","NSC714616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC714616",NA,"C1CCC2C(C1)NC(=N2)C3=CC=C(C=C3)C4=CC=C(O4)C5=CC=C(C=C5)C6=NC7CCCCC7N6.Cl","BOVXUVYXOWEMOL-UHFFFAOYSA-N",401311,NA,"PDBC48558","714616","Present",NA,NA
+"48559","NSC714620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC714620",NA,"C1CNC(=NC1)C2=CC=C(C=C2)C3=CC=C(O3)C4=CC=C(C=C4)C5=NCCCN5.Cl","XBRMRYUCTDAXDS-UHFFFAOYSA-N",401319,NA,"PDBC48559","714620","Present",NA,NA
+"48560","NSC716337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC716337",NA,"C1=CC=C2C(=C1)NC(=N2)C3=NC(=C(C(=C3)C4=CC=C(C=C4)Cl)C#N)N","XMEACCGGSORKKT-UHFFFAOYSA-N",402406,NA,"PDBC48560","716337","Present",NA,NA
+"48561","NSC716728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC716728",NA,"C1C(C(C=C2C1N3CC2C4=CC5=C(C=C4C3)OCO5)O)O","JKZMYBLUKAMPKM-YIOUJQMASA-N",402598,NA,"PDBC48561","716728","Present",NA,NA
+"48562","NSC719177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC719177",NA,"C1C2CC3CC1CC(C2)(C3)CCOC(=O)C4=CC=C(C=C4)NCC5=C(C=CC(=C5)O)O","PRCFXVMFLBVZKE-UHFFFAOYSA-N",403758,NA,"PDBC48562","719177","Present",NA,NA
+"48563","NSC719660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC719660",NA,"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])OP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)(C#C)O","QKQPGPKZAJNBSC-UHFFFAOYSA-N",403924,NA,"PDBC48563","719660","Present",NA,NA
+"48564","NSC720297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720297",NA,"CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC(CC6)C(C)(C)C)OO5)C)OC(=O)C)OC(=O)C)C","ZSWHWOUNGHFRGZ-ICZCLJNZSA-N",404156,NA,"PDBC48564","720297","Present",NA,NA
+"48565","NSC720299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720299",NA,"CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCC6)OO5)C)OC(=O)C)OC(=O)C)C","UBDMUQYNTPAHHZ-BEJKWQIXSA-N",404157,NA,"PDBC48565","720299","Present",NA,NA
+"48566","NSC720300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720300",NA,"CC(CCC(=O)OC)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCCCCCC6)OO5)C)OC(=O)C)OC(=O)C)C","DKMPSZABQRXVTG-GTPWXSJUSA-N",404158,NA,"PDBC48566","720300","Present",NA,NA
+"48567","NSC720385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720385",NA,"CCCNC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC5(C4)OOC6(CCC(CC6)C)OO5)C)OC(=O)C)OC(=O)C)C","ABAPNRUCCZDZNU-NVFKIIEZSA-N",404218,NA,"PDBC48567","720385","Present",NA,NA
+"48568","NSC720860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720860",NA,"CC1=CC(=NN1CN(CN2C(=CC(=N2)C(=O)OC)C)C3=CC=CC=C3)C(=O)OC","HTMVSPCHLDSQIG-UHFFFAOYSA-N",404564,NA,"PDBC48568","720860","Present",NA,NA
+"48569","NSC720861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720861",NA,"CC1=CC(=NN1CN(CC2=CC=CC=C2)CN3C(=CC(=N3)C(=O)OC)C)C(=O)OC","AWYKLKAWXLDPRL-UHFFFAOYSA-N",404565,NA,"PDBC48569","720861","Present",NA,NA
+"48570","NSC721390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC721390",NA,"CC1=CN(C(=O)NC1=O)C2C=CC(O2)COP(=O)(N(C)CCCCCl)OCC3=CC=C(O3)[N+](=O)[O-]","DYYRKAGSONLDMO-UHFFFAOYSA-N",404846,NA,"PDBC48570","721390","Present",NA,NA
+"48571","NSC722858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC722858",NA,"C1CC2=C(CCC1=O)C3=C(C4=CC=CC=C4N3)C5=C2C(=O)NC5=O","CVTAAFYDYQVXMP-UHFFFAOYSA-N",405501,NA,"PDBC48571","722858","Present",NA,NA
+"48572","NSC722859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC722859",NA,"C1CC2=C(CCC1O)C3=C(C4=CC=CC=C4N3CCCN)C5=C2C(=O)NC5=O.C(=O)(C(F)(F)F)O","OIWSZEJNQCRDSJ-UHFFFAOYSA-N",405502,NA,"PDBC48572","722859","Present",NA,NA
+"48573","NSC723154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC723154",NA,"CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)S(=O)(=O)NC#N.[K+]","PISLCJUKPBCFFU-DJILMAANSA-N",54612558,NA,"PDBC48573","723154","Present",NA,NA
+"48574","NSC723155",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC723155",NA,"CC1=CC(=C(C=C1Cl)SC(=NNC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)Cl)S(=O)(=O)N","AAJYRZAVXMUIKB-QQTULTPQSA-N",9572648,NA,"PDBC48574","723155","Present",NA,NA
+"48575","NSC723326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC723326",NA,"COC12CC(OC1NC(=O)N2)CNC(=O)C3=CC(=CN3)Br","WRJYHSZMHSXLMX-JWYUURKGSA-N",405751,NA,"PDBC48575","723326","Present",NA,NA
+"48576","NSC723327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC723327",NA,"COC12CC(OC1NC(=O)N2)CNC(=O)C3=CC(=CN3)Br","WRJYHSZMHSXLMX-HNBZJPLGSA-N",405752,NA,"PDBC48576","723327","Present",NA,NA
+"48577","NSC723387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC723387",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=CC=CC=C5C(=O)N4CCCN.Cl","GXCGKOMCESZDHE-UHFFFAOYSA-N",11176599,NA,"PDBC48577","723387","Present",NA,NA
+"48578","NSC723828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC723828",NA,"C1N2C3=C(C=C(C=C3)F)SC2=NC4=[N+]1C5=C(S4)C=C(C=C5)F.[I-]","HHTXITIKGUSMPZ-UHFFFAOYSA-M",405974,NA,"PDBC48578","723828","Present",NA,NA
+"48579","NSC723829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC723829",NA,"CC1=CC2=C(C=C1)N3C[N+]4=C(N=C3S2)SC5=C4C=CC(=C5)C.[I-]","LVWFFGWGFUQATF-UHFFFAOYSA-M",405976,NA,"PDBC48579","723829","Present",NA,NA
+"48580","NSC724235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724235",NA,"CC1=CN(C(=O)NC1=O)CC2=CC=CC=C2CCl","LROKUAILKNNSOC-UHFFFAOYSA-N",406205,NA,"PDBC48580","724235","Present",NA,NA
+"48581","NSC724237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724237",NA,"C1=CC=C(C(=C1)CN2C=CC(=O)NC2=O)CCl","FVJWPQKWQKXGGC-UHFFFAOYSA-N",406207,NA,"PDBC48581","724237","Present",NA,NA
+"48582","NSC724242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724242",NA,"C1=CC=C(C=C1)SC2=CN(C(=O)NC2=O)CC3=CC=CC=C3CO","WXWLUVBPCAKXFZ-UHFFFAOYSA-N",406212,NA,"PDBC48582","724242","Present",NA,NA
+"48583","NSC724319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724319",NA,"C1COC2=C(C=CC3=CC=CC=C32)C(=O)C1=CC4=CC=C(C=C4)F","KHRCDZMUZADODR-SSZFMOIBSA-N",5473168,NA,"PDBC48583","724319","Present",NA,NA
+"48584","NSC724612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724612",NA,"C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(N5C(=O)C(=CC6=CC=C(C=C6)F)SC5=N4)C7=CC=C(C=C7)F","FCKNHCNZAPLMMG-YZSQISJMSA-N",5473236,NA,"PDBC48584","724612","Present",NA,NA
+"48585","NSC724635",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724635",NA,"C1=CC=C2C(=C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CN4CCCCNC(CO)(CO)CO)O","BASKDUHPCSDCJY-UHFFFAOYSA-N",406508,NA,"PDBC48585","724635","Present",NA,NA
+"48586","NSC724653",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724653",NA,"CC1=C(C=CC(=C1)OCC2=NN(C(=S)N2N=CC3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-])CN5CCOCC5)Cl","FZQQDBUEGMHOON-WKULSOCRSA-N",9572715,NA,"PDBC48586","724653","Present",NA,NA
+"48587","NSC724654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724654",NA,"CN1CCN(CC1)CN2C(=S)N(C=N2)N=CC3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-]","IAMSLMIVOFODIQ-CIAFOILYSA-N",9572716,NA,"PDBC48587","724654","Present",NA,NA
+"48588","NSC724655",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724655",NA,"CC1=NN(C(=S)N1N=CC2=CC=C(O2)C3=C(C=C(C=C3)OC)[N+](=O)[O-])CN4CCN(CC4)C","MOWTUBMCMNYICU-LPYMAVHISA-N",9572717,NA,"PDBC48588","724655","Present",NA,NA
+"48589","NSC724656",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724656",NA,"CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=CC=CC=C3Cl)N=CC4=CC=C(O4)C5=C(C=C(C=C5)OC)[N+](=O)[O-]","LHZRGDQYNKQTFK-MUFRIFMGSA-N",9572718,NA,"PDBC48589","724656","Present",NA,NA
+"48590","NSC724657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724657",NA,"CN1CCN(CC1)CN2C(=S)N(C(=N2)COC3=C(C=C(C=C3)Cl)Cl)N=CC4=CC=C(O4)C5=C(C=C(C=C5)OC)[N+](=O)[O-]","WJCBXHNAPCZDLE-FJEPWZHXSA-N",9572719,NA,"PDBC48590","724657","Present",NA,NA
+"48591","NSC724658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724658",NA,"COC1=CC(=C(C=C1)C2=CC=C(O2)C3CC(=NN3)C4=CC=CC=C4)[N+](=O)[O-]","SSWSRHPPTXNZPM-UHFFFAOYSA-N",406528,NA,"PDBC48591","724658","Present",NA,NA
+"48592","NSC724659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724659",NA,"COC1=CC(=C(C=C1)C2=CC=C(O2)C3CC(=NN3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]","VRRWJDGGZAHBNA-UHFFFAOYSA-N",406529,NA,"PDBC48592","724659","Present",NA,NA
+"48593","NSC724662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724662",NA,"COC1=CC=C(C=C1)C2=NNC(C2)C3=CC=C(O3)C4=C(C=C(C=C4)OC)[N+](=O)[O-]","AAOPEWFYDGSQMN-UHFFFAOYSA-N",406532,NA,"PDBC48593","724662","Present",NA,NA
+"48594","NSC724663",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC724663",NA,"COC1=CC(=C(C=C1)C2=CC=C(O2)C3CC(=NN3)C4=CC=C(C=C4)O)[N+](=O)[O-]","TYQKHBHWNXWQGY-UHFFFAOYSA-N",406533,NA,"PDBC48594","724663","Present",NA,NA
+"48595","NSC725053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC725053",NA,"CCOC(=O)C(=CC=C(C1=CC=C(C=C1)Cl)Cl)C#N","TYWWSJQBRVLWBB-XVHQLPPBSA-N",5473317,NA,"PDBC48595","725053","Present",NA,NA
+"48596","NSC725063",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC725063",NA,"C1=CC(=CC=C1C(=CC=C(C#N)C(=O)N)Cl)Cl","QOQMSTNLZICRRC-MVCJUDCXSA-N",5473326,NA,"PDBC48596","725063","Present",NA,NA
+"48597","NSC725091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC725091",NA,"CC(=O)OCC1C(C(C(C(O1)OC2CCCC[Si](O2)(C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","CUNDPQXGKXJOQN-UHFFFAOYSA-N",406795,NA,"PDBC48597","725091","Present",NA,NA
+"48598","NSC725259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC725259",NA,"CC(C(=O)OC)NP(=O)(OCC1=CC=CC(=C1)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4","AFSQWNSEFKKSMR-UHFFFAOYSA-N",406929,NA,"PDBC48598","725259","Present",NA,NA
+"48599","NSC725260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC725260",NA,"CC(C(=O)OC)NP(=O)(OCC1=CC=C(C=C1)CN2C=NC3=C(N=CN=C32)N)OC4=CC=CC=C4","XTINJMMWLJQYDK-UHFFFAOYSA-N",406930,NA,"PDBC48599","725260","Present",NA,NA
+"48600","NSC725262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC725262",NA,"CC(C(=O)OC)NP(=O)(OCC1=CC=C(C=C1)CN2C=NC3=C2N=C(NC3=O)N)OC4=CC=CC=C4","WVCINWVUBNUYFL-UHFFFAOYSA-N",135436468,NA,"PDBC48600","725262","Present",NA,NA
+"48601","NSC72528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC72528",NA,"C1CNCCC1C2=CC=C(C=C2)C=NN=C(N)N.Cl","FEAOYHFRZLQHKU-WPTDRQDKSA-N",54609727,NA,"PDBC48601","72528","Present",NA,NA
+"48602","NSC72533",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC72533",NA,"C1=CC(=C(C=C1C=NN=C(N)N)C(=O)O)O.Cl","CZEOONMETLQXOK-AQCBZIOHSA-N",135534304,NA,"PDBC48602","72533","Present",NA,NA
+"48603","NSC725734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC725734",NA,"CN(C)C1=CC=C(C=C1)C=NN2C(=NNC2=S)CCCCC3=NNC(=S)N3N=CC4=CC=C(C=C4)N(C)C","AXKUKUQECKEOHZ-XUIWWLCJSA-N",10918644,NA,"PDBC48603","725734","Present",NA,NA
+"48604","NSC725739",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC725739",NA,"CC1=C(C=CC(=C1)Cl)OCC2=NN3C(=NN=C3S2)CCCCC4=NN=C5N4N=C(S5)COC6=C(C=C(C=C6)Cl)C","YLKBJAKCBJONGJ-UHFFFAOYSA-N",11814135,NA,"PDBC48604","725739","Present",NA,NA
+"48605","NSC726240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726240",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86","NIJNWSBGPIBSBS-UHFFFAOYSA-N",11849560,NA,"PDBC48605","726240","Present",NA,NA
+"48606","NSC726241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726241",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86","HYDKSXWAAFBPJF-UHFFFAOYSA-N",11849558,NA,"PDBC48606","726241","Present",NA,NA
+"48607","NSC726425",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726425",NA,"C1CC2=C(C=C(C=C2)F)C3=C(C1)C(NC(=S)N3)C4=CC=C(C=C4)Cl","VLRPDIWHKDZFCC-UHFFFAOYSA-N",24202979,NA,"PDBC48607","726425","Present",NA,NA
+"48608","NSC726438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726438",NA,"C1=CC=C2C(=C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CN4CCCNC(CO)(CO)CO)O","DSTGVKVZXJMTCW-UHFFFAOYSA-N",135585397,NA,"PDBC48608","726438","Present",NA,NA
+"48609","NSC726616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726616",NA,"CN1CCN(CC1)CN2C(=S)OC(=N2)C3=CC(=C(C=C3Cl)Cl)F","AKPHPWMTQQJADP-UHFFFAOYSA-N",11383327,NA,"PDBC48609","726616","Present",NA,NA
+"48610","NSC726624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726624",NA,"C1=CC(=C(C=C1C2=CC=C(O2)C3=NN=C(O3)C4=CC(=C(C=C4Cl)Cl)F)Cl)F","DSUDOJRBVCEKJV-UHFFFAOYSA-N",11154567,NA,"PDBC48610","726624","Present",NA,NA
+"48611","NSC726625",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726625",NA,"C1C(=NN2C(=NN=C2S1)C3=CC(=C(C=C3Cl)Cl)F)C4=CC(=C(C=C4Cl)Cl)F","DYGWFOIIUPEKNB-UHFFFAOYSA-N",24203066,NA,"PDBC48611","726625","Present",NA,NA
+"48612","NSC726627",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726627",NA,"C1C(=NN2C(=NN=C2S1)C3=CC(=C(C=C3Cl)Cl)F)C4=CC=C(C=C4)Cl","SWVUTDGNXSDLAF-UHFFFAOYSA-N",24203068,NA,"PDBC48612","726627","Present",NA,NA
+"48613","NSC726766",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726766",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","XBECTQFCAPXDFU-UHFFFAOYSA-N",11849641,NA,"PDBC48613","726766","Present",NA,NA
+"48614","NSC726767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726767",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","QIECWIJZHJJQCZ-UHFFFAOYSA-N",45027830,NA,"PDBC48614","726767","Present",NA,NA
+"48615","NSC726771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726771",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.Cl","ZHAFWTGLWCXJCM-UHFFFAOYSA-N",11849642,NA,"PDBC48615","726771","Present",NA,NA
+"48616","NSC726973",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC726973",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","ICBNKOHIZTWJDK-UHFFFAOYSA-N",45027833,NA,"PDBC48616","726973","Present",NA,NA
+"48617","NSC727083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC727083",NA,"CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)O)OC","LSLVTFKEWKEZAB-PMGFJFFOSA-N",24203177,NA,"PDBC48617","727083","Present",NA,NA
+"48618","NSC727085",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC727085",NA,"CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2O)C)C)N6CCCC6)OC","VRCMVTKKGHAOED-QHMFERCNSA-N",24203179,NA,"PDBC48618","727085","Present",NA,NA
+"48619","NSC727086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC727086",NA,"CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2OC(=O)C)C)C)N6CCCC6)OC","ICANLWFUVCJEEH-PRGHMZJASA-N",24203180,NA,"PDBC48619","727086","Present",NA,NA
+"48620","NSC727087",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC727087",NA,"CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2=O)C)C)OC(=O)C)OC","GNICQVHYZVEBMX-QOZOMQMKSA-N",24203181,NA,"PDBC48620","727087","Present",NA,NA
+"48621","NSC727357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC727357",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","LFBROBFDCPLXOA-UHFFFAOYSA-N",11520587,NA,"PDBC48621","727357","Present",NA,NA
+"48622","NSC727958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC727958",NA,"COC1=CC(=C(C=C1)OC)NC(=O)C2=CC(=CC=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","PMTJRWRVPUDTJC-UHFFFAOYSA-N",1194860,NA,"PDBC48622","727958","Present",NA,NA
+"48623","NSC727959",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC727959",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl","UOAUSALLDVLDEH-UHFFFAOYSA-N",1574650,NA,"PDBC48623","727959","Present",NA,NA
+"48624","NSC727962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC727962",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4O","DQYZDGHFAMFPDU-UHFFFAOYSA-N",7897244,NA,"PDBC48624","727962","Present",NA,NA
+"48625","NSC728087",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728087",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","OZZDFYZMWFYOEK-UHFFFAOYSA-N",45027847,NA,"PDBC48625","728087","Present",NA,NA
+"48626","NSC728088",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728088",NA,"CC(C)(C)OC(=O)N(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)CCN(CCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86)C(=O)OC(C)(C)C","JDGDNRKZDISVHG-UHFFFAOYSA-N",11849595,NA,"PDBC48626","728088","Present",NA,NA
+"48627","NSC728127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728127",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl","OTEVZOVWZMYMKY-UHFFFAOYSA-N",1574646,NA,"PDBC48627","728127","Present",NA,NA
+"48628","NSC728128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728128",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=C(C(=CC=C4)Cl)Cl","YXDDSPYNLNAMFK-UHFFFAOYSA-N",1574647,NA,"PDBC48628","728128","Present",NA,NA
+"48629","NSC728129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728129",NA,"COC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","HWHVJBQXKHQXPH-UHFFFAOYSA-N",1194948,NA,"PDBC48629","728129","Present",NA,NA
+"48630","NSC728130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728130",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)Cl","YBYSBVXYNRCLBH-UHFFFAOYSA-N",1194953,NA,"PDBC48630","728130","Present",NA,NA
+"48631","NSC728131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728131",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4Cl","XRDPTIIFLVZYGR-UHFFFAOYSA-N",1194954,NA,"PDBC48631","728131","Present",NA,NA
+"48632","NSC728132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728132",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)Cl)Cl","XBZHFHVINBOCFQ-UHFFFAOYSA-N",1574702,NA,"PDBC48632","728132","Present",NA,NA
+"48633","NSC728133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728133",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=CC(=C4)Cl)Cl","SQSSBTOBLHLPPP-UHFFFAOYSA-N",1574706,NA,"PDBC48633","728133","Present",NA,NA
+"48634","NSC728134",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728134",NA,"COC1=C(C=C(C=C1)Cl)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","COSIOPKLYDGTAW-UHFFFAOYSA-N",1194969,NA,"PDBC48634","728134","Present",NA,NA
+"48635","NSC728135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728135",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)S(=O)(=O)N","CNHVPOYANZFEGM-UHFFFAOYSA-N",1194988,NA,"PDBC48635","728135","Present",NA,NA
+"48636","NSC728137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728137",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4C(F)(F)F","CMJKINVBKWCSHI-UHFFFAOYSA-N",1676286,NA,"PDBC48636","728137","Present",NA,NA
+"48637","NSC728143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728143",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)Cl)O","BVTOAIPSEFENDS-UHFFFAOYSA-N",1676297,NA,"PDBC48637","728143","Present",NA,NA
+"48638","NSC728317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728317",NA,"C1=CC=C2C(=C1)C3C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCCNCCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","GPDKBMBXTHQEES-UHFFFAOYSA-N",45027853,NA,"PDBC48638","728317","Present",NA,NA
+"48639","NSC728320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728320",NA,"CN(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)CCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86","MOVWBVLCQRSBCB-UHFFFAOYSA-N",11849561,NA,"PDBC48639","728320","Present",NA,NA
+"48640","NSC728321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728321",NA,"CC(C)(C)OC(=O)N(CCCN(CCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)C(=O)OC(C)(C)C)CCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86","CBGYYNGEVSSMKV-UHFFFAOYSA-N",11849594,NA,"PDBC48640","728321","Present",NA,NA
+"48641","NSC728322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728322",NA,"CC(=O)OC1C(=CC2=CC(=C(C=C2)OCCN3CCCC3)OC)CC4C1(CCC5C4CC=C6C5(CCC(C6)N7CCCC7)C)C","SCIMMAWSTPIOIP-GYGLUOJWSA-N",24203498,NA,"PDBC48641","728322","Present",NA,NA
+"48642","NSC728323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728323",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCN6CCCC6)OC)C4=O)C)C","HNASGHCUVZFGAO-BJLNDYMUSA-N",24203499,NA,"PDBC48642","728323","Present",NA,NA
+"48643","NSC728325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728325",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4=O)C)O","URDRTXKGQFKHDU-CCZVNGOBSA-N",24203500,NA,"PDBC48643","728325","Present",NA,NA
+"48644","NSC728497",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728497",NA,"CC1=CC(=C(C=C1Cl)SC(=NNS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)Cl)S(=O)(=O)N","GECOIZDPELGRQS-GFMRDNFCSA-N",23625288,NA,"PDBC48644","728497","Present",NA,NA
+"48645","NSC728855",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC728855",NA,"C1CN(CCN1CCCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53)CCCN6C7=C(C8=CC=CC=C8C6=O)C(=O)C9=CC=CC=C97.C(=O)(C(F)(F)F)O","CZGURYVGBASXQS-UHFFFAOYSA-N",45027856,NA,"PDBC48645","728855","Present",NA,NA
+"48646","NSC729303",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC729303",NA,"C1C2=C(C3=C(O1)C=CC(=C3)F)NC(=S)NC2C4=CC=C(C=C4)Cl","RHNVIDMQZBFFTN-UHFFFAOYSA-N",11674634,NA,"PDBC48646","729303","Present",NA,NA
+"48647","NSC729358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC729358",NA,"CC(C)(C)OC(=O)N(CCCCN(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)C(=O)OC(C)(C)C)CCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86","XPLNCSQFUSGJPJ-UHFFFAOYSA-N",11849640,NA,"PDBC48647","729358","Present",NA,NA
+"48648","NSC72938",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC72938",NA,"CN1CCCC1C2=CN=CC=C2.C1=CC=C(C(=C1)C(=O)[O-])[OH2+].C1=CC=C(C(=C1)C(=O)[O-])[OH2+].C1=CC=C(C(=C1)C(=O)[O-])[OH2+].C1=CC=C(C(=C1)C(=O)O)O.[Cu+2]","YLBWSBIVKAPAHA-UHFFFAOYSA-N",54609758,NA,"PDBC48648","72938","Present",NA,NA
+"48649","NSC729496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC729496",NA,"C1=CC2=C(N3C4=CC(=C(C=C4N=NC3=C2C=C1)Cl)Cl)C#N","RCHWPSHKLRLRAC-UHFFFAOYSA-N",24203781,NA,"PDBC48649","729496","Present",NA,NA
+"48650","NSC729499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC729499",NA,"C1=CC2=C(N3C4=C(C=C(C=C4)C(F)(F)F)N=NC3=C2C=C1)C#N","XQFIEEGBOKVIMC-UHFFFAOYSA-N",24203784,NA,"PDBC48650","729499","Present",NA,NA
+"48651","NSC729500",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC729500",NA,"C1=CC2=C(N3C4=C(C=CC(=C4)C(F)(F)F)N=NC3=C2C=C1)C#N","ONLXHUFVMVWKDS-UHFFFAOYSA-N",16066791,NA,"PDBC48651","729500","Present",NA,NA
+"48652","NSC729813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC729813",NA,"C1OC2=C(O1)C=C3C(=C2)C4=C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCN.Cl","YZLFXFGDWULIAW-UHFFFAOYSA-N",44418792,NA,"PDBC48652","729813","Present",NA,NA
+"48653","NSC730183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730183",NA,"CC(C1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)C3CC4C(C(C3C(=O)OC)(C(C(=C4C(=O)OC)O)C(=O)OC)O)C(=O)OC","YMCHQFFMKFMJDS-CPIWBUCJSA-N",54717812,NA,"PDBC48653","730183","Present",NA,NA
+"48654","NSC730461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730461",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4=O)C)C","KQUBHKVGWVYYJA-IPSKMFDYSA-N",24204020,NA,"PDBC48654","730461","Present",NA,NA
+"48655","NSC730472",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730472",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCN6CCCCC6)OC)C4O)C)O","LCQFSDRFYJEBTB-GFNGPVSPSA-N",24204031,NA,"PDBC48655","730472","Present",NA,NA
+"48656","NSC730473",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730473",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCN6CCCCC6)OC)C4OC(=O)C)C)C","HKRGOGAJVBWURS-YWVWQYHSSA-N",24204032,NA,"PDBC48656","730473","Present",NA,NA
+"48657","NSC730474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730474",NA,"CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2O)C)C)O)OC","XZZYPRJIOYWVHG-HBGNFOAYSA-N",24204033,NA,"PDBC48657","730474","Present",NA,NA
+"48658","NSC730475",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730475",NA,"CCN(CC)CCOC1=C(C=C(C=C1)C=C2CC3C4CC=C5CC(CCC5(C4CCC3(C2OC(=O)C)C)C)OC(=O)C)OC","RWOVVSIYUZJNGX-QAUQPLIHSA-N",24204034,NA,"PDBC48658","730475","Present",NA,NA
+"48659","NSC730476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730476",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCN6CCCC6)OC)C4O)C)O","VCLDMHVVXPBUSD-JLTJRFMRSA-N",24204035,NA,"PDBC48659","730476","Present",NA,NA
+"48660","NSC730477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730477",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCN6CCCC6)OC)C4OC(=O)C)C)C","FBOZIATXMZJQOG-QAUQPLIHSA-N",24204036,NA,"PDBC48660","730477","Present",NA,NA
+"48661","NSC730478",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730478",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4O)C)O","IFCWLEZORUYIOR-FURYIAKLSA-N",24204037,NA,"PDBC48661","730478","Present",NA,NA
+"48662","NSC730479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730479",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OCCCN6C=CN=C6)OC)C4OC(=O)C)C)C","MBGKEGQCXUEIST-ZNSNMJBFSA-N",24204038,NA,"PDBC48662","730479","Present",NA,NA
+"48663","NSC73048",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC73048",NA,"C1C2=CC=CC=C2C3=CC=CC=C3C(C1=N)C#N","UGFOMFGCDBVENN-UHFFFAOYSA-N",251963,NA,"PDBC48663","73048","Present",NA,NA
+"48664","NSC730870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC730870",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCNCCNCCN5C6=C(C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","SMDPKVRBWKREFD-UHFFFAOYSA-N",45027880,NA,"PDBC48664","730870","Present",NA,NA
+"48665","NSC73109",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC73109",NA,"CC(CCC(=O)NN)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C","BXSPCFWJSALCFW-HVATVPOCSA-N",252016,NA,"PDBC48665","73109","Present",NA,NA
+"48666","NSC731092",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731092",NA,"CC1CN(CCN1CN2C3=CC=CC=C3C(=O)C2=O)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F","DCNLPVGMLCWWAZ-UHFFFAOYSA-N",24204245,NA,"PDBC48666","731092","Present",NA,NA
+"48667","NSC731093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731093",NA,"CC1CN(CCN1CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F","JSFSIFAKBYNKLA-UHFFFAOYSA-N",24204246,NA,"PDBC48667","731093","Present",NA,NA
+"48668","NSC731094",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731094",NA,"CC1CN(CCN1CN2C3=CC=CC=C3C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F","FIZGTEBBXYXZCS-UHFFFAOYSA-N",15954458,NA,"PDBC48668","731094","Present",NA,NA
+"48669","NSC731095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731095",NA,"CC1CN(CCN1CN2C3=C(C=C(C=C3)Cl)C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F","UVGXUJBRINEWKU-UHFFFAOYSA-N",15954459,NA,"PDBC48669","731095","Present",NA,NA
+"48670","NSC731096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731096",NA,"CC1CN(CCN1CN2C3=C(C=C(C=C3)Cl)C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=NC=N5)OC)OC)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F","FQRCDXIYEGOGSR-UHFFFAOYSA-N",24204247,NA,"PDBC48670","731096","Present",NA,NA
+"48671","NSC731098",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731098",NA,"CC1CN(CCN1CN2C3=C(C=C(C=C3)Br)C(=NC4=CC=C(C=C4)S(=O)(=O)NC5=C(C(=NC=N5)OC)OC)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F","VWSBGYNTZOPTSR-UHFFFAOYSA-N",11643654,NA,"PDBC48671","731098","Present",NA,NA
+"48672","NSC731099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731099",NA,"CC1CN(CCN1CN2C3=C(C=C(C=C3)F)C(=C2O)N=NC(=O)C4=CC=NC=C4)C5=C(C=C6C(=C5OC)N(C=C(C6=O)C(=O)O)C7CC7)F","LTKAGECHZUFWJB-UHFFFAOYSA-N",135465400,NA,"PDBC48672","731099","Present",NA,NA
+"48673","NSC731162",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731162",NA,"CCOC1C(=CNC2=CC=C(C=C2)S(=O)(=O)N)C(=O)C3=C(O1)C=CC(=C3)C","HSMKUZHMLVJRRM-LFIBNONCSA-N",24204276,NA,"PDBC48673","731162","Present",NA,NA
+"48674","NSC731391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731391",NA,"CC1=CC(=C(C=C1Cl)SC(=NNS(=O)(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)S(=O)(=O)N","IFWOFOYDTMXATL-QQTULTPQSA-N",23625138,NA,"PDBC48674","731391","Present",NA,NA
+"48675","NSC731406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731406",NA,"C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)N)C4=CC=C(C=C4)CCl","ALDGERMNKOCLST-UHFFFAOYSA-N",24204344,NA,"PDBC48675","731406","Present",NA,NA
+"48676","NSC731435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731435",NA,"C1C2CN3CC(C2=CC(C1O)O)C4=CC5=C(C=C43)OCO5","JBWRMXUUXFXFTA-BLJJELEKSA-N",24204350,NA,"PDBC48676","731435","Present",NA,NA
+"48677","NSC731654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731654",NA,"CC1CN(CCN1CN2C3=C(C=C(C=C3)F)C(=NC4=NC=C(C(=N4)N)CC5=CC(=C(C(=C5)OC)OC)OC)C2=O)C6=C(C=C7C(=C6OC)N(C=C(C7=O)C(=O)O)C8CC8)F","VBDSJLHZQMUOLC-GYHSTGKTSA-N",9567684,NA,"PDBC48677","731654","Present",NA,NA
+"48678","NSC731863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731863",NA,"CC(C)CC(C(=O)OC1=CC=C(C=C1)C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC)NC(=O)C","FVKGCKHOTSLFKY-UFMOUSPNSA-N",54717816,NA,"PDBC48678","731863","Present",NA,NA
+"48679","NSC731864",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC731864",NA,"CC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)C3CC4C(C(C3C(=O)OC)(C(C(=C4C(=O)OC)O)C(=O)OC)O)C(=O)OC","QXXGDSVCLNMPRK-RJBMIFHISA-N",54717817,NA,"PDBC48679","731864","Present",NA,NA
+"48680","NSC732252",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732252",NA,"CCOC1C(=CNC2=CC=C(C=C2)C(=O)N)C(=O)C3=C(O1)C=CC(=C3)C","GXIDETNWEHHODM-LFIBNONCSA-N",24204580,NA,"PDBC48680","732252","Present",NA,NA
+"48681","NSC732327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732327",NA,"C1=CC=C(C=C1)C=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br","PEPHAWLOSMXGJT-SSDVNMTOSA-N",16126511,NA,"PDBC48681","732327","Present",NA,NA
+"48682","NSC732329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732329",NA,"C1=CC(=CC=C1C=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br)O","NNOBEUCTYGOAMJ-LSHDLFTRSA-N",135540940,NA,"PDBC48682","732329","Present",NA,NA
+"48683","NSC732332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732332",NA,"C1=CC(=CC=C1C2=CN3C(=CSC3=N2)CC(=O)NN=CC4=C(C=C(C=C4)Cl)Cl)Br","OZXYGHZNGFJKNT-PGGKNCGUSA-N",16126471,NA,"PDBC48683","732332","Present",NA,NA
+"48684","NSC732335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732335",NA,"C1=CC=C(C(=C1)C=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br)O","PPYOMIZROUIMHR-LSHDLFTRSA-N",135540939,NA,"PDBC48684","732335","Present",NA,NA
+"48685","NSC732336",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732336",NA,"C1=CC(=CC=C1C2=CN3C(=CSC3=N2)CC(=O)NN=CC4=C(C=CC(=C4)Br)O)Br","QFQBZKJVOUGOLP-NUGSKGIGSA-N",135585540,NA,"PDBC48685","732336","Present",NA,NA
+"48686","NSC732698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732698",NA,"C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)Cl)C(F)(F)F","IPSJKPRNFFLPLF-UHFFFAOYSA-N",1640172,NA,"PDBC48686","732698","Present",NA,NA
+"48687","NSC732699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732699",NA,"C1=CC(=CC(=C1)O)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=C(C=C(C=C4)Cl)Cl)Cl","HGIDHZWXTQTOFI-UHFFFAOYSA-N",1179913,NA,"PDBC48687","732699","Present",NA,NA
+"48688","NSC732821",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732821",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4Cl","GFYALUMHDMBHSC-UHFFFAOYSA-N",1194862,NA,"PDBC48688","732821","Present",NA,NA
+"48689","NSC732826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732826",NA,"COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","VFTPOBHHYQYYHZ-UHFFFAOYSA-N",1194947,NA,"PDBC48689","732826","Present",NA,NA
+"48690","NSC732827",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732827",NA,"COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl)OC","IQUFOLAVJGRBRF-UHFFFAOYSA-N",1194951,NA,"PDBC48690","732827","Present",NA,NA
+"48691","NSC732829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732829",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=C(C=C(C=C4)Cl)Cl","DMASKWVZMCHKTL-UHFFFAOYSA-N",1574705,NA,"PDBC48691","732829","Present",NA,NA
+"48692","NSC732833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732833",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl","UAMJMYGQNJFEGY-UHFFFAOYSA-N",1574715,NA,"PDBC48692","732833","Present",NA,NA
+"48693","NSC732836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732836",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4C(F)(F)F","HFSLEZKMBPGXCB-UHFFFAOYSA-N",1574727,NA,"PDBC48693","732836","Present",NA,NA
+"48694","NSC732837",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732837",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","NMFCWXSFOXVZFK-UHFFFAOYSA-N",1574730,NA,"PDBC48694","732837","Present",NA,NA
+"48695","NSC732838",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732838",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NCC4=C(C=C(C=C4)Cl)Cl","QDMFSRNQTUPLPD-UHFFFAOYSA-N",1574733,NA,"PDBC48695","732838","Present",NA,NA
+"48696","NSC732839",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732839",NA,"CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl)Cl","LXCPDUKVLSFTGI-UHFFFAOYSA-N",1194942,NA,"PDBC48696","732839","Present",NA,NA
+"48697","NSC732841",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732841",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F","NBVPRZYAEFPQDZ-UHFFFAOYSA-N",1194958,NA,"PDBC48697","732841","Present",NA,NA
+"48698","NSC732844",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732844",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4F","MFLOSFQZRUKIHP-UHFFFAOYSA-N",1194968,NA,"PDBC48698","732844","Present",NA,NA
+"48699","NSC732845",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732845",NA,"C1CC(OC1)CNC(=O)C2=CC=C(C=C2)NC3=C(C(=O)N(C3=O)CC4=CC=CC=C4)Cl","GMMUNBOTDCYHHF-UHFFFAOYSA-N",3317510,NA,"PDBC48699","732845","Present",NA,NA
+"48700","NSC732850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732850",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=CC(=CC=C4)O","JDWCNIKACSXAOM-UHFFFAOYSA-N",1194899,NA,"PDBC48700","732850","Present",NA,NA
+"48701","NSC732851",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732851",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl","UMRBOETVQYMYHN-UHFFFAOYSA-N",1574661,NA,"PDBC48701","732851","Present",NA,NA
+"48702","NSC732853",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732853",NA,"C1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)C(=O)NCC4=CC=CO4","AYSUVZDADWJSIT-UHFFFAOYSA-N",7897249,NA,"PDBC48702","732853","Present",NA,NA
+"48703","NSC733396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733396",NA,"CN1CCC2=C(C1C3C4=C(CO3)C(=C(C=C4)OC)OC)C(=C5C(=C2Br)OCO5)OC","VVSDXCUYQGHQTE-MJGOQNOKSA-N",10050740,NA,"PDBC48703","733396","Present",NA,NA
+"48704","NSC733401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733401",NA,"CCOC(=O)CC1=CSC(=N1)NC2=NC(=C(S2)C3=C4C=CC=CC4=NC3=O)O","DDUQAFPVVCBLJI-UHFFFAOYSA-N",135489535,NA,"PDBC48704","733401","Present",NA,NA
+"48705","NSC733402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733402",NA,"CCOC(=O)CC1=CSC(=N1)N=C2NC(=O)C(=C3C4=CC=CC=C4N(C3=O)C)S2","UCAAQKCBAHTBOW-CCEZHUSRSA-N",135491940,NA,"PDBC48705","733402","Present",NA,NA
+"48706","NSC733409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733409",NA,"COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)Br)O","PZWWEOFYZQNYLT-UHFFFAOYSA-N",135438376,NA,"PDBC48706","733409","Present",NA,NA
+"48707","NSC733410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733410",NA,"COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)F)O","NVTJAEHAVUBQQE-UHFFFAOYSA-N",135438537,NA,"PDBC48707","733410","Present",NA,NA
+"48708","NSC733411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733411",NA,"COC1=CC=C(C=C1)C2=NN=C(O2)NC3=NC(=C(S3)C4=C5C=C(C=CC5=NC4=O)OC(F)(F)F)O","UHIKWLHXWZOLQE-UHFFFAOYSA-N",135414497,NA,"PDBC48708","733411","Present",NA,NA
+"48709","NSC733886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733886",NA,"C1=CC(=CC(=C1)CCl)CN2C=NC3=C2C(=NC=N3)Cl","PNSXRFFIYAVJKO-UHFFFAOYSA-N",24204974,NA,"PDBC48709","733886","Present",NA,NA
+"48710","NSC733889",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733889",NA,"C1=CC=C(C(=C1)CN2C=NC3=C2C(=NC=N3)Cl)CCl","PSRRAHZAHLKVIF-UHFFFAOYSA-N",24204976,NA,"PDBC48710","733889","Present",NA,NA
+"48711","NSC733892",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733892",NA,"C1=CC=C(C(=C1)CN2C=NC3=C2C(=NC(=N3)Cl)Cl)CCl","SDFSFCHSLBWZKS-UHFFFAOYSA-N",24204977,NA,"PDBC48711","733892","Present",NA,NA
+"48712","NSC733894",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733894",NA,"C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)Cl)CCl","USHSCIQUGJAAGH-UHFFFAOYSA-N",24204978,NA,"PDBC48712","733894","Present",NA,NA
+"48713","NSC733895",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC733895",NA,"C1=CC(=CC=C1CN2C=NC3=C2C(=NC(=N3)Cl)Cl)CCl","BSKYPUUFGNPHLM-UHFFFAOYSA-N",24204979,NA,"PDBC48713","733895","Present",NA,NA
+"48714","NSC734078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC734078",NA,"C1=CC(=CC(=C1)CN2C=NC3=C2N=C(N=C3Cl)Cl)CN4C=NC5=C4N=C(N=C5Cl)Cl","FLOGFSCNYWSXQZ-UHFFFAOYSA-N",16126566,NA,"PDBC48714","734078","Present",NA,NA
+"48715","NSC734079",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC734079",NA,"C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)Cl)CN4C=NC5=C4N=C(N=C5Cl)Cl","SQPVTVWGWVWPCK-UHFFFAOYSA-N",16126563,NA,"PDBC48715","734079","Present",NA,NA
+"48716","NSC734083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC734083",NA,"C1=CC(=CC=C1CN2C=NC3=C2N=CN=C3N(CCO)CCO)CCl","FLUAZYKJNKTLQQ-UHFFFAOYSA-N",24205048,NA,"PDBC48716","734083","Present",NA,NA
+"48717","NSC734294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC734294",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Br)CCCCl","IPMGWDXKIJNYRU-UHFFFAOYSA-N",17756600,NA,"PDBC48717","734294","Present",NA,NA
+"48718","NSC734796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC734796",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C#N)N(C2=O)CCCN)OC.Cl","XGCVXWLVDCSARU-UHFFFAOYSA-N",17755628,NA,"PDBC48718","734796","Present",NA,NA
+"48719","NSC734798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC734798",NA,"C1=CC=C2C(=C1)C3=C(C4=C(C3=O)C=CC(=C4)[N+](=O)[O-])N(C2=O)CCCNCCCNCCCN5C6=C(C7=C(C5=O)C=C(C=C7)[N+](=O)[O-])C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","NIHQDICMLRQAKN-UHFFFAOYSA-N",45027890,NA,"PDBC48719","734798","Present",NA,NA
+"48720","NSC735010",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC735010",NA,"COC1=C(C=C2C(=C1)C3=C(C4=C(C3=O)C=C(C=C4)C(=O)OC)N(C2=O)CCCN)OC.Cl","XTXIDQVCPFCENN-UHFFFAOYSA-N",17755626,NA,"PDBC48720","735010","Present",NA,NA
+"48721","NSC735012",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC735012",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCNCCCNCCN5C6=C(C7=C(C5=O)C=C(C=C7)[N+](=O)[O-])C(=O)C8=CC=CC=C86.C(=O)(C(F)(F)F)O","YQMUESYYLSUQBK-UHFFFAOYSA-N",45027892,NA,"PDBC48721","735012","Present",NA,NA
+"48722","NSC735037",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC735037",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=CC=N6)OC","DMPDXMNLPKWCHZ-UHFFFAOYSA-N",16090528,NA,"PDBC48722","735037","Present",NA,NA
+"48723","NSC735372",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC735372",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCNCCCNCCN5C6=C(C7=CC(=C(C=C7C5=O)OC)OC)C(=O)C8=CC=CC=C86)OC.C(=O)(C(F)(F)F)O","WUPOZEJYQITXRK-UHFFFAOYSA-N",45027895,NA,"PDBC48723","735372","Present",NA,NA
+"48724","NSC735373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC735373",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCCNCCCNCCCN5C6=C(C7=CC(=C(C=C7C5=O)OC)OC)C(=O)C8=CC=CC=C86)OC.C(=O)(C(F)(F)F)O","ZWIRHUWDWAKRHU-UHFFFAOYSA-N",45027896,NA,"PDBC48724","735373","Present",NA,NA
+"48725","NSC736139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736139",NA,"C1=CC(=CC=C1C=NN2C(=NNC2=S)C3=CC(=C(C=C3)F)Cl)F","YJJLTLUDMWYURH-UFWORHAWSA-N",24205540,NA,"PDBC48725","736139","Present",NA,NA
+"48726","NSC736140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736140",NA,"CC1=C(C=CC(=C1)OCC2=NNC(=S)N2N=CC3=CC=C(C=C3)F)Cl","VYYLTVSDUOHXDY-AWQFTUOYSA-N",24205541,NA,"PDBC48726","736140","Present",NA,NA
+"48727","NSC736145",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736145",NA,"CC1=C(C=CC(=C1)OCC2=NN(C(=S)N2N=CC3=CC=C(C=C3)F)CN4CCN(CC4)C)Cl","GAFVGCAXWHCGLK-VULFUBBASA-N",24205546,NA,"PDBC48727","736145","Present",NA,NA
+"48728","NSC736146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736146",NA,"CC1=NN(C(=S)N1N=CC2=CC=CC3=C2N=CC=C3)CNC4=CC=CC=C4C(F)(F)F","UGUYUYYJCPVPAP-KKMKTNMSSA-N",24205547,NA,"PDBC48728","736146","Present",NA,NA
+"48729","NSC736163",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736163",NA,"CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)F","DSZLMLJWMRYRJX-UHFFFAOYSA-N",24205561,NA,"PDBC48729","736163","Present",NA,NA
+"48730","NSC736164",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736164",NA,"CSC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)F)C(=O)C4=CC=C(C=C4)N","JCXOZSOZLXGMAB-UHFFFAOYSA-N",24205562,NA,"PDBC48730","736164","Present",NA,NA
+"48731","NSC736165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736165",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)SC)C3=CC=C(O3)C4=CC=C(C=C4)Cl","HKJLXVRERVMXLF-UHFFFAOYSA-N",11690083,NA,"PDBC48731","736165","Present",NA,NA
+"48732","NSC736198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736198",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)Cl)CCCBr","SBUGLDCVZLGRMA-UHFFFAOYSA-N",17755849,NA,"PDBC48732","736198","Present",NA,NA
+"48733","NSC736201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736201",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)F)CCCN=[N+]=[N-]","LQGLOUDGFFIQNH-UHFFFAOYSA-N",17755972,NA,"PDBC48733","736201","Present",NA,NA
+"48734","NSC736202",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736202",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)I)CCCN=[N+]=[N-]","IFQGELMUHIDTGV-UHFFFAOYSA-N",17755023,NA,"PDBC48734","736202","Present",NA,NA
+"48735","NSC736493",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736493",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)N(C3=C2C(=O)C4=C3C=CC(=C4)I)CCCN.Cl","SWGXNDOHGNTPPR-UHFFFAOYSA-N",17755126,NA,"PDBC48735","736493","Present",NA,NA
+"48736","NSC736624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736624",NA,"CSC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN=[N+]=[N-]","AMTSSVBONDVENH-UHFFFAOYSA-N",17755020,NA,"PDBC48736","736624","Present",NA,NA
+"48737","NSC736756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736756",NA,"CC12CCC(CC1=CCC3C2CCC4(C3CC(=CC5=CC(=CC=C5)OCCN6CCOCC6)C4O)C)O","DEHJSBCAOOHJDC-MELWFMDBSA-N",24205796,NA,"PDBC48737","736756","Present",NA,NA
+"48738","NSC736761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC736761",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=CC=C5)OCCN6CCOCC6)C4OC(=O)C)C)C","JJZLEINGFDTWEF-DCUZUEFZSA-N",24205801,NA,"PDBC48738","736761","Present",NA,NA
+"48739","NSC737427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC737427",NA,"C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C(N=CN=C65)N)O","BELHNPQWAVSJSM-UHFFFAOYSA-N",24205952,NA,"PDBC48739","737427","Present",NA,NA
+"48740","NSC737428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC737428",NA,"C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)Cl)O","FNEOPRKANJXZTD-UHFFFAOYSA-N",24205953,NA,"PDBC48740","737428","Present",NA,NA
+"48741","NSC737429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC737429",NA,"C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)N)O","AQEZBOZQPHPBCY-UHFFFAOYSA-N",24205954,NA,"PDBC48741","737429","Present",NA,NA
+"48742","NSC737430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC737430",NA,"C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C(N=CN=C65)N)OCC7=CC(=C(C=C7F)F)F","CBUZKZFTQWSBHQ-UHFFFAOYSA-N",24205955,NA,"PDBC48742","737430","Present",NA,NA
+"48743","NSC737431",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC737431",NA,"C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)Cl)OCC7=CC(=C(C=C7F)F)F","KBZYXJUOZPHNEG-UHFFFAOYSA-N",24205956,NA,"PDBC48743","737431","Present",NA,NA
+"48744","NSC737432",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC737432",NA,"C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CN5C=NC6=C5N=C(N=C6Cl)N)OCC7=CC(=C(C=C7F)F)F","YBUGYCGOPKMAQS-UHFFFAOYSA-N",24205957,NA,"PDBC48744","737432","Present",NA,NA
+"48745","NSC737433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC737433",NA,"C1=CC(=CC=C1OCC(CN2C=NC3=C2N=CN=C3Cl)O)F","XWPNZGVQYWHNRU-UHFFFAOYSA-N",24205958,NA,"PDBC48745","737433","Present",NA,NA
+"48746","NSC737518",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC737518",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCN6C=NC=N6)OC.Cl","PSSHRQLUYSNEPT-UHFFFAOYSA-N",16090529,NA,"PDBC48746","737518","Present",NA,NA
+"48747","NSC740268",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC740268",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCI","UUJPBZJHYIEZMS-UHFFFAOYSA-N",17755638,NA,"PDBC48747","740268","Present",NA,NA
+"48748","NSC740277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC740277",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCNCCO.Cl","HTVOCSHHHZRNSZ-UHFFFAOYSA-N",17755974,NA,"PDBC48748","740277","Present",NA,NA
+"48749","NSC740488",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC740488",NA,"CC1=CN2CC3=CC=CC=C3CN(C1=O)C2=O","SABDGXJFORMDKR-UHFFFAOYSA-N",45027984,NA,"PDBC48749","740488","Present",NA,NA
+"48750","NSC740490",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC740490",NA,"CC1=CN=C2N(C1=O)CC3=CC=CC=C3CO2","VXINSLIREPOEJY-UHFFFAOYSA-N",45027986,NA,"PDBC48750","740490","Present",NA,NA
+"48751","NSC740521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC740521",NA,"CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C2C=CC(=C4)OC.Cl","CRAFOOBIZFOZPT-UHFFFAOYSA-N",17755743,NA,"PDBC48751","740521","Present",NA,NA
+"48752","NSC740614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC740614",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=CC=C4OCC(=O)OC)C3=O)C5=CC=CC=C5","PANOYLIHNGVBNI-HKOYGPOVSA-N",45028015,NA,"PDBC48752","740614","Present",NA,NA
+"48753","NSC740615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC740615",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=C(C=C4)OCC(=O)OC)C3=O)C5=CC=CC=C5","RLCWZHFKYCLYME-XIEYBQDHSA-N",45028016,NA,"PDBC48753","740615","Present",NA,NA
+"48754","NSC740617",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC740617",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NC(=CC4=CC=C(C=C4)N(C)C)C3=O)C5=CC=CC=C5","IDCQCSGMPQOWSQ-NCELDCMTSA-N",26476961,NA,"PDBC48754","740617","Present",NA,NA
+"48755","NSC740645",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC740645",NA,"CCOC1=CC2=C(C=C1)C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN.Cl","NAZXLFMWXGIWEZ-UHFFFAOYSA-N",17755025,NA,"PDBC48755","740645","Present",NA,NA
+"48756","NSC740650",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC740650",NA,"COC1=CC2=C(C=C1)C3=C(C2=O)C4=CC=CC=C4C(=O)N3CCCNCCO.Cl","KCBBYYCZXUKTBM-UHFFFAOYSA-N",17755741,NA,"PDBC48756","740650","Present",NA,NA
+"48757","NSC741402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC741402",NA,"CCCCCCCCC(=CC1=C(C(=O)C(=C(C1=O)OC)OC)C)C(=O)O","PHYCYYJXLLWDLJ-WYMLVPIESA-N",45028184,NA,"PDBC48757","741402","Present",NA,NA
+"48758","NSC741403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC741403",NA,"CCCCC(=CC1=C(C(=O)C(=C(C1=O)OC)OC)C)C(=O)O","GBNXKHQESXVNDQ-CSKARUKUSA-N",25235421,NA,"PDBC48758","741403","Present",NA,NA
+"48759","NSC741604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC741604",NA,"C1=CC(=CC=C1CN2C=NC3=C2N=C(N=C3Cl)Cl)C4=CC=C(C=C4)CCl","LEZQXBODLBMOIT-UHFFFAOYSA-N",45028198,NA,"PDBC48759","741604","Present",NA,NA
+"48760","NSC741605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC741605",NA,"C1=CC(=CC=C1CN2C=NC3=C2C(=NC(=N3)Cl)Cl)C4=CC=C(C=C4)CCl","NNIAKSOEGBBXLS-UHFFFAOYSA-N",45028199,NA,"PDBC48760","741605","Present",NA,NA
+"48761","NSC741852",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC741852",NA,"C1=NC2=C(N1CC=CCN3C=NC4=C3C(=NC(=N4)Cl)Cl)N=C(N=C2Cl)Cl","INKZPEHGVFMESZ-UPHRSURJSA-N",45028239,NA,"PDBC48761","741852","Present",NA,NA
+"48762","NSC741913",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC741913",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)O)OCCCCCOC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)C(=O)O","JGXCJNXVYFVPMR-UHFFFAOYSA-N",25255580,NA,"PDBC48762","741913","Present",NA,NA
+"48763","NSC742146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC742146",NA,"C1=CC(=CC(=C1)OCC2=CC=C(C=C2)CN3C=NC4=C3N=C(N=C4Cl)Cl)OCC5=CC=C(C=C5)CN6C=NC7=C6N=C(N=C7Cl)Cl","CPORTUUHLXZVRG-UHFFFAOYSA-N",45028308,NA,"PDBC48763","742146","Present",NA,NA
+"48764","NSC742147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC742147",NA,"C1=CC(=CC(=C1)OCC=CCN2C=NC3=C2N=C(N=C3Cl)Cl)OCC=CCN4C=NC5=C4N=C(N=C5Cl)Cl","PSXNZCJQHIXSGA-CCAGOZQPSA-N",45028309,NA,"PDBC48764","742147","Present",NA,NA
+"48765","NSC742148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC742148",NA,"C1=CC(=CC(=C1)OCC=CCN2C=NC3=C2N=C(N=C3Cl)Cl)OCC=CCN4C=NC5=C4N=C(N=C5Cl)Cl","PSXNZCJQHIXSGA-ZPUQHVIOSA-N",45028310,NA,"PDBC48765","742148","Present",NA,NA
+"48766","NSC742149",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC742149",NA,"C1=CC(=CC(=C1)COC2=CC(=CC=C2)OCC3=CC=CC(=C3)CN4C=NC5=C4N=C(N=C5Cl)Cl)CN6C=NC7=C6N=C(N=C7Cl)Cl","BHLVVFVPOJWVFJ-UHFFFAOYSA-N",45028311,NA,"PDBC48766","742149","Present",NA,NA
+"48767","NSC743434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC743434",NA,"COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)F)OCCCCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC","ARZGLWFRVNUVDX-RIYZIHGNSA-N",45028590,NA,"PDBC48767","743434","Present",NA,NA
+"48768","NSC743438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC743438",NA,"COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)F)OCCCCOC3=C(C=C4C(=C3)N=CC5CCCN5C4=O)OC","GKOFYRHRQUAZQM-NTUHNPAUSA-N",45028591,NA,"PDBC48768","743438","Present",NA,NA
+"48769","NSC74420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC74420",NA,"C1CC1C(=NN=C(N)N)C2=CC=C(C=C2)Cl.Cl","OIIDIBKXLALRIC-AZJSCORLSA-N",54609828,NA,"PDBC48769","74420","Present",NA,NA
+"48770","NSC744327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC744327",NA,"CC1=C(C(=NC2=CC=CC=C12)C)C(=O)C=CC3=CC(=C(C=C3)OCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","VRFNOEICKIYEAD-FIUWIIBXSA-N",44227294,NA,"PDBC48770","744327","Present",NA,NA
+"48771","NSC744989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC744989",NA,"CC1=C(C(=NC2=CC=CC=C12)C)C(=O)C=CC3=CC(=C(C=C3)OCCCCOC4=C(C=C5C(=C4)N=CC6CCCN6C5=O)OC)OC","VXLMCALNWIFZOP-RFYAYMHSSA-N",44227495,NA,"PDBC48771","744989","Present",NA,NA
+"48772","NSC745357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC745357",NA,"C1=NC2=C(N1CCOCCN3C=NC4=C3N=C(N=C4Cl)Cl)N=C(N=C2Cl)Cl","LYZSZSXPVJPCGO-UHFFFAOYSA-N",45029074,NA,"PDBC48772","745357","Present",NA,NA
+"48773","NSC745358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC745358",NA,"C1C(CO1)(CN2C=NC3=C2N=C(N=C3Cl)Cl)CN4C=NC5=C4N=C(N=C5Cl)Cl","MZTJKJHTFMPWQX-UHFFFAOYSA-N",45029075,NA,"PDBC48773","745358","Present",NA,NA
+"48774","NSC745632",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC745632",NA,"C1=CC(=CC=C1C(=O)COC(=O)C(C[Se][Se]CC(C(=O)OCC(=O)C2=CC=C(C=C2)F)NC(=O)C3=C(C=C(C=C3)Br)F)NC(=O)C4=C(C=C(C=C4)Br)F)F","VOICQWAETDJKNM-KYJUHHDHSA-N",45029228,NA,"PDBC48774","745632","Present",NA,NA
+"48775","NSC746149",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC746149",NA,"COC1=CC=C(C=C1)C(=O)COC(=O)C(C[Se][Se]CC(C(=O)OCC(=O)C2=CC=C(C=C2)OC)NC(=O)C3=C(C=C(C=C3)Br)F)NC(=O)C4=C(C=C(C=C4)Br)F","XMWMSWMZCQBTET-ACHIHNKUSA-N",45029327,NA,"PDBC48775","746149","Present",NA,NA
+"48776","NSC748560",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC748560",NA,"COC1=CC=C(C=C1)C2=CN(C(=O)N2)C3=CC=CC(=C3)C(=O)C=CC4=CC(=C(C=C4)O)OC","XDUAIQUMHPFQPB-WUXMJOGZSA-N",46919706,NA,"PDBC48776","748560","Present",NA,NA
+"48777","NSC748561",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC748561",NA,"COC1=C(C=CC(=C1)C=CC(=O)C2=CC(=CC=C2)N3C=C(NC3=O)C4=CC=CC=C4)O","UPEXFYNBXNPNLB-ZRDIBKRKSA-N",46919705,NA,"PDBC48777","748561","Present",NA,NA
+"48778","NSC748902",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC748902",NA,"CC(C1CCC2C1(CCC3C2CCC4C3(CC(C(C4)NC(=O)C=C(C)C)O)C)C)N(C)C","NNCXWVUZKIDBPI-BGNYLADVSA-N",54612850,NA,"PDBC48778","748902","Present",NA,NA
+"48779","NSC753181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753181",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","AANYQULBAIMKHZ-UHFFFAOYSA-N",56935208,NA,"PDBC48779","753181","Present",NA,NA
+"48780","NSC753182",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753182",NA,"C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","LYBMXFWAIVMRTJ-UHFFFAOYSA-N",56935329,NA,"PDBC48780","753182","Present",NA,NA
+"48781","NSC753201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753201",NA,"C1=CC=C(C=C1)C(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F","GCHUTMNGRCAEMY-UHFFFAOYSA-N",60147934,NA,"PDBC48781","753201","Present",NA,NA
+"48782","NSC753203",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753203",NA,"COC1=CC=C(C=C1)C(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F","QQOKKUKRNXQMQG-UHFFFAOYSA-N",60147936,NA,"PDBC48782","753203","Present",NA,NA
+"48783","NSC753378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753378",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=CC=CC=C54","ZQQZYLUGLLIIFA-UHFFFAOYSA-N",136040144,NA,"PDBC48783","753378","Present",NA,NA
+"48784","NSC753385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753385",NA,"C1=CC2=C(NC=C2C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)Br)N=C1","LRHLCYQDYOMJAN-UHFFFAOYSA-N",136040145,NA,"PDBC48784","753385","Present",NA,NA
+"48785","NSC753391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753391",NA,"C1=CC2=C(NC=C2C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)F)N=C1","GRVSHKKIMSLTGS-UHFFFAOYSA-N",136040149,NA,"PDBC48785","753391","Present",NA,NA
+"48786","NSC753392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753392",NA,"CN1C=C(C2=C1C=CC(=C2)F)C3=NC(=CS3)C4=CNC5=C4C=CC=N5","WUJJTRQJWCRHDQ-UHFFFAOYSA-N",60147995,NA,"PDBC48786","753392","Present",NA,NA
+"48787","NSC753393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753393",NA,"CN1C=C(C2=C1C=CC(=C2)F)C3=NC(=CS3)C4=CN(C5=C4C=CC=N5)C","RVXMCEYDYNUQQE-UHFFFAOYSA-N",60147996,NA,"PDBC48787","753393","Present",NA,NA
+"48788","NSC753394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753394",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)F","XNWCQOHZTRFUBF-UHFFFAOYSA-N",136040150,NA,"PDBC48788","753394","Present",NA,NA
+"48789","NSC753581",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753581",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F","JLFIHODMVRGFQI-WAYWQWQTSA-N",60148074,NA,"PDBC48789","753581","Present",NA,NA
+"48790","NSC753582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753582",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)OC(F)(F)F","CLUYVDQHCBMSAW-WEVVVXLNSA-N",60148075,NA,"PDBC48790","753582","Present",NA,NA
+"48791","NSC753584",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753584",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)C(F)(F)F","CTFGBEMLJGKAGX-WAYWQWQTSA-N",60148077,NA,"PDBC48791","753584","Present",NA,NA
+"48792","NSC753585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC753585",NA,"COC1=C(C=C(C=C1)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC)OCC(=O)NC3=NC4=C(S3)C=C(C=C4)C(F)(F)F","IUCFDVWQWRXEJN-WEVVVXLNSA-N",60148078,NA,"PDBC48792","753585","Present",NA,NA
+"48793","NSC754241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754241",NA,"CN(C)CCOC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC","LPBYYUACWRTBHO-UHFFFAOYSA-N",54672976,NA,"PDBC48793","754241","Present",NA,NA
+"48794","NSC754242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754242",NA,"CCN(CC)CCOC1=NC2=CC=CC=C2C3=C1C4=C(C3=O)C=C(C=C4)OC","PPTOYZALYRLDKS-UHFFFAOYSA-N",54672977,NA,"PDBC48794","754242","Present",NA,NA
+"48795","NSC754318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754318",NA,"C1=CC(=CC=C1C#N)NC(=O)NC2=NC3=C(S2)C=C(C=C3)OC(F)(F)F","QKZGSNHKPVNABF-UHFFFAOYSA-N",76326074,NA,"PDBC48795","754318","Present",NA,NA
+"48796","NSC754328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754328",NA,"CCN(CCCNC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)N(C)C)CCNC3=C4C=CC(=CC4=NC=C3)Cl","XPAXPAKCTSQAGH-UHFFFAOYSA-N",49856402,NA,"PDBC48796","754328","Present",NA,NA
+"48797","NSC754329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754329",NA,"CC1CCC2C(C(OC3C24C1CCC(O3)(OO4)C)OC(=O)CCC(=O)NCCNC(=O)CC5=CC(=O)OC6=C5C=CC(=C6)N(C)C)C","ZIMVSMLQZHXRHU-WLNIMOHXSA-N",155812944,NA,"PDBC48797","754329","Present",NA,NA
+"48798","NSC754483",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754483",NA,"CC1=C(SC2=C1C(=O)N(C3=NN=C(N23)C4=CC=C(C=C4)Br)CC5=CC=CC=C5)C(=O)N","AOVFJWNZTYQDTL-UHFFFAOYSA-N",70682374,NA,"PDBC48798","754483","Present",NA,NA
+"48799","NSC754490",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754490",NA,"CC1=C(SC2=C1C(=O)N(C3=NN=C(CN23)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5)C(=O)N","PCMMOFLSELELJC-UHFFFAOYSA-N",70688710,NA,"PDBC48799","754490","Present",NA,NA
+"48800","NSC754516",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754516",NA,"CC1=CC(=CC=C1)CN2C=C(C3=C2C=CN=C3)CO","JEWNOSMAPHOMLG-UHFFFAOYSA-N",155808124,NA,"PDBC48800","754516","Present",NA,NA
+"48801","NSC754735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754735",NA,"C1=CC=C(C(=C1)C2C3=C(NN=C3NC(=N2)N)N)Cl","CFNQWGYSWAVPHU-UHFFFAOYSA-N",155808146,NA,"PDBC48801","754735","Present",NA,NA
+"48802","NSC754778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754778",NA,"C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C3=C(SC=C3)NC4=CC(=NC=C4)C(F)(F)F)O","VXLATMLPGWXXDO-UHFFFAOYSA-N",155812994,NA,"PDBC48802","754778","Present",NA,NA
+"48803","NSC754779",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754779",NA,"C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)CNC(=O)C3=C(C=CS3)NC4=CC(=NC=C4)C(F)(F)F)O","BVUUJGAATXKFOK-UHFFFAOYSA-N",155812990,NA,"PDBC48803","754779","Present",NA,NA
+"48804","NSC755118",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755118",NA,"CC1=C(C(=NC1=CC2=C(C=C(N2)C3=CC=CN3)OC)C)C(=O)NC(C)C","VWLDVSVHEAGNIF-DHDCSXOGSA-N",155813059,NA,"PDBC48804","755118","Present",NA,NA
+"48805","NSC755119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755119",NA,"CC1=C(C(=NC1=CC2=C(C=C(N2)C3=CC=CN3)OC)C)CCC(=O)OC","LBZZOJVHNBSLES-YBEGLDIGSA-N",155811421,NA,"PDBC48805","755119","Present",NA,NA
+"48806","NSC755120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755120",NA,"CC1=C(C(=NC1=CC2=C(C=C(N2)C3=CC=CN3)OC)C)CC(=O)OC","FVZUAZCRTDVOQP-DHDCSXOGSA-N",155810001,NA,"PDBC48806","755120","Present",NA,NA
+"48807","NSC755121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755121",NA,"CC1=C(C(=CC2=C(C=C(N2)C3=CC=CN3)OC)N=C1C)CCC(=O)OC","BEEXRPZVQLKSMN-YBEGLDIGSA-N",155808252,NA,"PDBC48807","755121","Present",NA,NA
+"48808","NSC755122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755122",NA,"CC1=NC(=CC2=C(C=C(N2)C3=CC=CN3)OC)C(=C1CC(=O)OC)CCC(=O)OC","JOUDOQVKCBOSLW-BOPFTXTBSA-N",155810000,NA,"PDBC48808","755122","Present",NA,NA
+"48809","NSC75513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC75513",NA,"CC1=CC(=C(C=C1)C)C(=NN=C(N)N)C2CC2.Cl","MDURGFUJSYJFSD-PXJKFVASSA-N",54605796,NA,"PDBC48809","75513","Present",NA,NA
+"48810","NSC755264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755264",NA,"C1=CC=C(C=C1)CN2C(=C(C3=C2N=CN(C3=N)CCCO)C4=CC=CC=C4)C5=CC=CC=C5","FTONQWOSFUNKSC-UHFFFAOYSA-N",5152963,NA,"PDBC48810","755264","Present",NA,NA
+"48811","NSC755265",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755265",NA,"CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC","BEOZAXAVDAIVNH-UHFFFAOYSA-N",1222720,NA,"PDBC48811","755265","Present",NA,NA
+"48812","NSC755266",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755266",NA,"CC1(C2=CC=CC=C2N(C13CC(=NO3)C4=CC(=C(C=C4)Cl)S(=O)(=O)N5CCCC5)C)C","YNSOGEPOLZAJPY-UHFFFAOYSA-N",3575040,NA,"PDBC48812","755266","Present",NA,NA
+"48813","NSC755267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755267",NA,"CCOC(=O)CN1C2=CC=CC=C2N=C1C3=NON=C3NC(=O)C4=CC=CC=C4F","IEPWZZCIRVBASB-UHFFFAOYSA-N",1043575,NA,"PDBC48813","755267","Present",NA,NA
+"48814","NSC755288",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755288",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=NC3=CC(=NN23)C4=CC=CC=C4)C(=O)N5CCN(CC5)C(=O)C6=CC=CC=C6NCC7=CC=CS7","KFUIJMKWWLYYFD-UHFFFAOYSA-N",71466690,NA,"PDBC48814","755288","Present",NA,NA
+"48815","NSC755290",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755290",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=CC=CC=C2C(=O)N3CCN(CC3)C(=O)C4=NC5=CC(=NN5C(=C4)C6=CC(=C(C(=C6)OC)OC)OC)C7=CC=CC=C7","OUHCGIVODQEAOU-UHFFFAOYSA-N",71466691,NA,"PDBC48815","755290","Present",NA,NA
+"48816","NSC755406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755406",NA,"C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","IQHFHUFGXYEEPK-UHFFFAOYSA-N",72947247,NA,"PDBC48816","755406","Present",NA,NA
+"48817","NSC755407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755407",NA,"C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","VUVJELCNUGCDDR-UHFFFAOYSA-N",45483732,NA,"PDBC48817","755407","Present",NA,NA
+"48818","NSC755408",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755408",NA,"C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=C(C=C4)NC(=O)NC5=C(C(=CC=C5)Cl)Cl","TYVQEWUSZNRCMS-UHFFFAOYSA-N",45483711,NA,"PDBC48818","755408","Present",NA,NA
+"48819","NSC755412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755412",NA,"C1COCCN1C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6","NOHJUDQLISYZGE-UHFFFAOYSA-N",70686146,NA,"PDBC48819","755412","Present",NA,NA
+"48820","NSC755413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755413",NA,"C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=C(C=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F","KZWRWHZUHNDVDQ-UHFFFAOYSA-N",53377313,NA,"PDBC48820","755413","Present",NA,NA
+"48821","NSC755415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755415",NA,"C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","CIQDEZLBJXRMBA-UHFFFAOYSA-N",70688287,NA,"PDBC48821","755415","Present",NA,NA
+"48822","NSC755417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755417",NA,"C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F","BTXTXXHRBDBSMD-UHFFFAOYSA-N",45483705,NA,"PDBC48822","755417","Present",NA,NA
+"48823","NSC755419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755419",NA,"C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl","RNYVJNGBZMPIAT-UHFFFAOYSA-N",45483714,NA,"PDBC48823","755419","Present",NA,NA
+"48824","NSC755420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755420",NA,"C1=CC=C(C=C1)C(=O)NC2=C3C=CN(C3=NC=N2)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F","JKBITSANLFFHBI-UHFFFAOYSA-N",45483795,NA,"PDBC48824","755420","Present",NA,NA
+"48825","NSC755422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755422",NA,"C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F","GAWSDOMFNFILEC-UHFFFAOYSA-N",70694505,NA,"PDBC48825","755422","Present",NA,NA
+"48826","NSC755423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755423",NA,"C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F","FDTVZGCGBOKBGT-UHFFFAOYSA-N",53361480,NA,"PDBC48826","755423","Present",NA,NA
+"48827","NSC755424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755424",NA,"C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl","RDRHRIYSWMLPJS-UHFFFAOYSA-N",70692460,NA,"PDBC48827","755424","Present",NA,NA
+"48828","NSC755425",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755425",NA,"C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl","ZBYNMTDIPGVXCI-UHFFFAOYSA-N",53361479,NA,"PDBC48828","755425","Present",NA,NA
+"48829","NSC755426",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755426",NA,"CC1=CN(C=N1)C2=CC(=CC(=C2)C(F)(F)F)C(=O)NC3=CC(=CC=C3)N4C=CC5=C4C=CN=C5NC(=O)C6=CC=CC=C6","YEOGKHZRTFBASG-UHFFFAOYSA-N",70692461,NA,"PDBC48829","755426","Present",NA,NA
+"48830","NSC755427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755427",NA,"C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F","XIHVAPDBFVMZIG-UHFFFAOYSA-N",53361481,NA,"PDBC48830","755427","Present",NA,NA
+"48831","NSC755428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755428",NA,"C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=CC(=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","PADCNAACUVFRJZ-UHFFFAOYSA-N",70694504,NA,"PDBC48831","755428","Present",NA,NA
+"48832","NSC755429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755429",NA,"C1=CC=C(C=C1)C(=O)NC2=NC=CC3=C2C=CN3C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F","PZEXTWWIKNZVMJ-UHFFFAOYSA-N",56931001,NA,"PDBC48832","755429","Present",NA,NA
+"48833","NSC755431",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755431",NA,"C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=CC5=C4C=CN=C5N)C(F)(F)F","NMVUWBUQOMNYQR-UHFFFAOYSA-N",142711385,NA,"PDBC48833","755431","Present",NA,NA
+"48834","NSC755433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755433",NA,"C1=CC(=CC(=C1)O)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNC(=O)NC5=CC=CC(=C5)C(F)(F)F","VCDZPEUTOVBEPL-UHFFFAOYSA-N",56649567,NA,"PDBC48834","755433","Present",NA,NA
+"48835","NSC755435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755435",NA,"C1=CC=C(C(=C1)C(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O)O","PPHVDJJPJBPBIE-UHFFFAOYSA-N",56649602,NA,"PDBC48835","755435","Present",NA,NA
+"48836","NSC755439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755439",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl","PRISFNURXALNSF-UHFFFAOYSA-N",142712077,NA,"PDBC48836","755439","Present",NA,NA
+"48837","NSC755440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755440",NA,"C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","CBZIANYZQFTNHM-UHFFFAOYSA-N",142712062,NA,"PDBC48837","755440","Present",NA,NA
+"48838","NSC755441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755441",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","YOIOZXIXKBQLKX-UHFFFAOYSA-N",142712074,NA,"PDBC48838","755441","Present",NA,NA
+"48839","NSC755442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755442",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)Cl)Cl","UCJCCJHRDNKBRN-UHFFFAOYSA-N",142712087,NA,"PDBC48839","755442","Present",NA,NA
+"48840","NSC755443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755443",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","UIDJMKWBKOFAQP-UHFFFAOYSA-N",142712072,NA,"PDBC48840","755443","Present",NA,NA
+"48841","NSC755444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755444",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=CC(=C2)Cl)Cl)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","ILOFHXYKSAVOKZ-UHFFFAOYSA-N",142712078,NA,"PDBC48841","755444","Present",NA,NA
+"48842","NSC755446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755446",NA,"COC1=CC=CC(=C1)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNC(=O)NC5=CC=CC(=C5)C(F)(F)F","YVHIIJAEZHQWKT-UHFFFAOYSA-N",56649566,NA,"PDBC48842","755446","Present",NA,NA
+"48843","NSC755454",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755454",NA,"C1=CC(=CC=C1NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","LZGOMVRROFWMFF-UHFFFAOYSA-N",142712079,NA,"PDBC48843","755454","Present",NA,NA
+"48844","NSC755455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755455",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)Cl","NOJBWGPTVYKDDR-UHFFFAOYSA-N",142712067,NA,"PDBC48844","755455","Present",NA,NA
+"48845","NSC755456",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755456",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","WEZFNSPNDOQJNG-UHFFFAOYSA-N",142712080,NA,"PDBC48845","755456","Present",NA,NA
+"48846","NSC755458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755458",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)Cl)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","MZZMYLWGOTYNHE-UHFFFAOYSA-N",142712073,NA,"PDBC48846","755458","Present",NA,NA
+"48847","NSC755459",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755459",NA,"C1=CC(=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","OUOROFPIFJWKOS-UHFFFAOYSA-N",142712090,NA,"PDBC48847","755459","Present",NA,NA
+"48848","NSC755461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755461",NA,"C1=CC=C(C=C1)C(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O","LFYPPNJBUXJRMO-UHFFFAOYSA-N",56649601,NA,"PDBC48848","755461","Present",NA,NA
+"48849","NSC755464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755464",NA,"C1=CC(=C(C(=C1)Cl)Cl)NC(=O)NC2=CC=C(C=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)O)Cl)C5=CC=NC=C5","ADYKPYDSRQWRIM-UHFFFAOYSA-N",142712070,NA,"PDBC48849","755464","Present",NA,NA
+"48850","NSC755465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755465",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC(=C5)Cl)Cl)Cl","SDRFHEZPBMIZQX-UHFFFAOYSA-N",142712058,NA,"PDBC48850","755465","Present",NA,NA
+"48851","NSC755466",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755466",NA,"C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=CC5=C(N=CN=C54)N)C(F)(F)F","PSELCVRPIYANFU-UHFFFAOYSA-N",155811285,NA,"PDBC48851","755466","Present",NA,NA
+"48852","NSC755469",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755469",NA,"C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)N4C=CC5=C4C=CN=C5N)C(F)(F)F","ZQXLHYZPQCKQLL-UHFFFAOYSA-N",53375899,NA,"PDBC48852","755469","Present",NA,NA
+"48853","NSC755523",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755523",NA,NA,NA,NA,NA,"PDBC48853","755523","Present",NA,NA
+"48854","NSC755790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755790",NA,"C1=CC=C2C(=C1)C=C(C(=O)N2)C=CC(=O)C3=CC=C(C=C3)O","BGYVIOLLJVLLIC-JXMROGBWSA-N",34903503,NA,"PDBC48854","755790","Present",NA,NA
+"48855","NSC755801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755801",NA,"COC1=CC2=C(C=C1)C(CCN2CC3=CC=C(C=C3)Cl)N4CCCC4=O","MDAVZJPHPZROKU-UHFFFAOYSA-N",155815933,NA,"PDBC48855","755801","Present",NA,NA
+"48856","NSC755803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755803",NA,"C1=NC2=C(N1)C(=NC=N2)SCC=CCCl","CXWZYGCTGMBFJK-OWOJBTEDSA-N",64683160,NA,"PDBC48856","755803","Present",NA,NA
+"48857","NSC755804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755804",NA,"C1=CC=C(C(=C1)CSC2=NC(=NC3=C2NC=N3)N)CCl","TYRROHSIUWCESN-UHFFFAOYSA-N",155811224,NA,"PDBC48857","755804","Present",NA,NA
+"48858","NSC755841",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755841",NA,"CC1=C2C(=C(C=C1)C(=O)OC(C)C3C(=O)NC(C(=O)N4CCCC4C(=O)N(CC(=O)N(C(C(=O)N3)C(C)C)C)C)C(C)C)N=C5C(=C(C(=O)C(=C5O2)C)N)C(=O)OC(C)C6C(=O)NC(C(=O)N7CCCC7C(=O)N(CC(=O)N(C(C(=O)N6)C(C)C)C)C)C(C)C","QKRYGAZNLBVXHK-UHFFFAOYSA-N",45006140,NA,"PDBC48858","755841","Present",NA,NA
+"48859","NSC756053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756053",NA,"CNC(=O)NC1=CC=C(C=C1)C2=C3C=NN(C3=NC(=N2)N4CCOCC4)C5CCOCC5","MXPRZJWKEJGHJF-UHFFFAOYSA-N",46206016,NA,"PDBC48859","756053","Present",NA,NA
+"48860","NSC756086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756086",NA,"C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=C(C=C5)Cl)Cl)C(=O)OC4)CCO","PEAKVZRAGYGWHS-UHFFFAOYSA-N",118715237,NA,"PDBC48860","756086","Present",NA,NA
+"48861","NSC756087",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756087",NA,"C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC(=CC=C5)Br","PPSSNNXVCWTZKK-UHFFFAOYSA-N",118715238,NA,"PDBC48861","756087","Present",NA,NA
+"48862","NSC756089",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756089",NA,"C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC(=C(C=C5)Cl)Cl","FKUFBPVAAUHKSI-UHFFFAOYSA-N",118715240,NA,"PDBC48862","756089","Present",NA,NA
+"48863","NSC756090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756090",NA,"COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=C(C(=C4)OC)OC)OC","TZIPAQBRULNFOF-UHFFFAOYSA-N",118715241,NA,"PDBC48863","756090","Present",NA,NA
+"48864","NSC756091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756091",NA,"COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=C(C=C4)OC)OC","JDOVLOHNVQKABN-UHFFFAOYSA-N",118715242,NA,"PDBC48864","756091","Present",NA,NA
+"48865","NSC756106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756106",NA,"CCC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=C(C(=C4)OC)OC)OC","NPCPXUXJDZDTON-UHFFFAOYSA-N",118715254,NA,"PDBC48865","756106","Present",NA,NA
+"48866","NSC756619",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756619",NA,"C1=CC(=CC=C1C2=NN3C(=NN=C3S2)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)F","DATPAUQNEGXRPQ-UHFFFAOYSA-N",155809975,NA,"PDBC48866","756619","Present",NA,NA
+"48867","NSC756620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756620",NA,"C1CCC(C1)C(=O)NC2=NN3C(=NN=C3S2)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","RVCNZBLOFQQNTG-UHFFFAOYSA-N",155815987,NA,"PDBC48867","756620","Present",NA,NA
+"48868","NSC756628",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756628",NA,"C1CCN(C1)C2=NN3C(=NN=C3SC2)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","IWJMHXFYLFCRBO-UHFFFAOYSA-N",155808235,NA,"PDBC48868","756628","Present",NA,NA
+"48869","NSC756635",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756635",NA,"CCOC(=O)N1CCC(CC1)N=C2CSC3=NN=C(N3N2)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","CKCPDEHEQVTTHS-UHFFFAOYSA-N",155811398,NA,"PDBC48869","756635","Present",NA,NA
+"48870","NSC756833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756833",NA,"CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=O)N2N4C(SCC4=O)C5=CC=CC=C5Cl","CNZZNTYMBVKGEM-UHFFFAOYSA-N",155808087,NA,"PDBC48870","756833","Present",NA,NA
+"48871","NSC756971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756971",NA,"COC1=C(C=C(C=C1)CN=C(N)N=C(N)N)OC","SKZRMFFZOJHVNU-UHFFFAOYSA-N",83036736,NA,"PDBC48871","756971","Present",NA,NA
+"48872","NSC757027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757027",NA,"CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O","BFPYWIDHMRZLRN-OQPPHWFISA-N",24707,NA,"PDBC48872","757027","Present",NA,NA
+"48873","NSC757129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757129",NA,"C1=CC(=CC(=C1)CCl)CN2C=NC3=C2N=CN=C3SCC4=CC(=CC=C4)CCl","IAYYPBFCGIIMSG-UHFFFAOYSA-N",155808303,NA,"PDBC48873","757129","Present",NA,NA
+"48874","NSC757135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757135",NA,"CC1=CC(=C(C(=C1)CN(C)CCN(C)CC2=CC(=CC(=C2[O-])C)C)[O-])C.C1=CC(=NC(=C1)C(=O)[O-])C(=O)[O-].[Ti+4]","SQEAIUSCCKSXMR-UHFFFAOYSA-J",155806789,NA,"PDBC48874","757135","Present",NA,NA
+"48875","NSC757145",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757145",NA,"CCCCCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)CC)C","BCLOHFYDGKVJBU-STZFKDTASA-N",155816003,NA,"PDBC48875","757145","Present",NA,NA
+"48876","NSC757569",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757569",NA,"COC1=CC(=CC(=C1)C(F)(F)F)C2=NN(C=N2)C=CC3=NN=CO3","INEKMXPDNAXCDW-IHWYPQMZSA-N",57524026,NA,"PDBC48876","757569","Present",NA,NA
+"48877","NSC757911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757911",NA,"CCCN(CCC)C1=CC(=C(C=C1)C=NNC(=O)C2=CN=CC=C2)C","RYTFENZNBMVESD-PXLXIMEGSA-N",155812952,NA,"PDBC48877","757911","Present",NA,NA
+"48878","NSC757912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757912",NA,"CCCN(CCC)C1=CC(=C(C=C1)C=NNC(=O)C2=CN=CC=C2)OC","XFGVCSLWXIDXJZ-PXLXIMEGSA-N",155812951,NA,"PDBC48878","757912","Present",NA,NA
+"48879","NSC757913",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757913",NA,"CCCN(CCC)C1=CC(=C(C=C1)C=NNC(=O)C2=CN=CC=C2)Cl","AZPPTAUQRACYRJ-HYARGMPZSA-N",155808125,NA,"PDBC48879","757913","Present",NA,NA
+"48880","NSC757914",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757914",NA,"CCCN(CCC)C1=CC=C(C=C1)C=NNC(=O)C2=CN=CC=C2","MMZVVRORJGIACS-KGENOOAVSA-N",6887203,NA,"PDBC48880","757914","Present",NA,NA
+"48881","NSC757968",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757968",NA,"COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","XSUBNQQKENMWAB-JWDFLIAJSA-N",155813062,NA,"PDBC48881","757968","Present",NA,NA
+"48882","NSC757981",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757981",NA,"COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCCNCCCN)C2=O","JBWPEZUVPGPKOS-UHFFFAOYSA-N",137655794,NA,"PDBC48882","757981","Present",NA,NA
+"48883","NSC757982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757982",NA,"CN(C)CCN1C(=O)C2=C3C(=CC=C4C3=C(C=C2)C(=O)N(C4=O)CCN=C=S)C1=O","DFLLESXVHVLXDP-UHFFFAOYSA-N",57327694,NA,"PDBC48883","757982","Present",NA,NA
+"48884","NSC757983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757983",NA,"COC1=C(C(=C(C=C1)CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCCNCCCN)C2=O)OC)OC","KIKWEYHUAQBQKY-UHFFFAOYSA-N",137660355,NA,"PDBC48884","757983","Present",NA,NA
+"48885","NSC758024",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758024",NA,"COC1=CC(=CC2=C1OCO2)C3C4=CC5=C(C=C4NC6=C3C(=O)OC6)OCO5","YJNRXXHBRODLRR-UHFFFAOYSA-N",42648316,NA,"PDBC48885","758024","Present",NA,NA
+"48886","NSC758025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758025",NA,"COC1=CC2=C(C=C1)C(C3=C(N2)COC3=O)C4=CC5=C(C(=C4)OC)OCO5","OWLSEJAZLQGGME-UHFFFAOYSA-N",46949030,NA,"PDBC48886","758025","Present",NA,NA
+"48887","NSC758026",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758026",NA,"COC1=CC2=C(C=C1)NC3=C(C2C4=CC5=C(C(=C4)OC)OCO5)C(=O)OC3","VGRQJDNRNLNMKL-UHFFFAOYSA-N",46949029,NA,"PDBC48887","758026","Present",NA,NA
+"48888","NSC758027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758027",NA,"COC1=C(C=C(C=C1)C(=O)C2=CC3=C(C(=C2)OC)OCO3)O","MIRIDVREUSBSAM-UHFFFAOYSA-N",46949031,NA,"PDBC48888","758027","Present",NA,NA
+"48889","NSC758028",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758028",NA,"COC1=CC(=CC2=C1OCO2)C3C4=C(C=C5CCCC5=C4)NC6=C3C(=O)OC6","HTJYIHIQSZPFGZ-UHFFFAOYSA-N",46949594,NA,"PDBC48889","758028","Present",NA,NA
+"48890","NSC758029",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758029",NA,"COC1=CC=C(C=C1)C2=C(ON=C2C3=CC(=C(C(=C3)OC)OC)OC)N","VUFWURPHGAUZMX-UHFFFAOYSA-N",46227182,NA,"PDBC48890","758029","Present",NA,NA
+"48891","NSC758030",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758030",NA,"COC1=CC=C(C=C1)C2=C(ON=C2C3=CC4=C(C(=C3OC)OC)OCO4)N","JFPMMWDHYKMTKQ-UHFFFAOYSA-N",76310392,NA,"PDBC48891","758030","Present",NA,NA
+"48892","NSC758031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758031",NA,"COC1=CC=C(C=C1)C2=C(ON=C2C3=CC4=C(C(=C3)OC)OCO4)N","VPMZPOXBAFWLGR-UHFFFAOYSA-N",46949815,NA,"PDBC48892","758031","Present",NA,NA
+"48893","NSC758032",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758032",NA,"COC1=CC2=C(C=C1)C(C3=C(O2)COC3=O)C4=CC5=C(C(=C4)OC)OCO5","WABKWFNCJFJSQT-UHFFFAOYSA-N",57404230,NA,"PDBC48893","758032","Present",NA,NA
+"48894","NSC758033",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758033",NA,"COC1=CC=C(C=C1)C=C(C#N)C2=CC3=C(C(=C2)OC)OCO3","FWOIUSGFCCEQFD-VGOFMYFVSA-N",51138378,NA,"PDBC48894","758033","Present",NA,NA
+"48895","NSC758516",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758516",NA,"CC1=CC(=CC(=C1N)C)C2=NNC(=O)CC3=CC4=C(C=C32)OCCO4","DZHZMUQHYGYDSE-UHFFFAOYSA-N",44452462,NA,"PDBC48895","758516","Present",NA,NA
+"48896","NSC758531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758531",NA,"CC1CCCC(=CCCC2(C(CC3C(C1OC(=O)C3=C)O2)O)C)C","HTFJCLBNRQBUKL-XCBYQVHCSA-N",155811375,NA,"PDBC48896","758531","Present",NA,NA
+"48897","NSC758534",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758534",NA,"CCN(CC)C1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC4=C(C(=C3)OC)OCO4","JFLPFZZKAULZBF-UHFFFAOYSA-N",10293974,NA,"PDBC48897","758534","Present",NA,NA
+"48898","NSC758535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758535",NA,"COC1=CC(=CC2=C1OCO2)C(=CC3=C(C4=C(C=C3)OCO4)OC)C#N","CVLQCUBQUFIQDF-WLRTZDKTSA-N",155811231,NA,"PDBC48898","758535","Present",NA,NA
+"48899","NSC758539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758539",NA,"COC1=CC(=CC2=C1OCO2)C=CC(=O)C=CC3=CC4=C(C(=C3)OC)OCO4","ANMSMNWTKOXGBL-GGWOSOGESA-N",91973099,NA,"PDBC48899","758539","Present",NA,NA
+"48900","NSC758540",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758540",NA,"COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2OC)OC)OC)OC)O","MKHNJSNSCKYEJF-UHFFFAOYSA-N",53319891,NA,"PDBC48900","758540","Present",NA,NA
+"48901","NSC758542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758542",NA,"C1=CC(=CC=C1C2=NNC(=C2)C3=C(C=CC(=C3)Cl)O)F","SRMJCIBGUOPXNP-UHFFFAOYSA-N",685418,NA,"PDBC48901","758542","Present",NA,NA
+"48902","NSC758545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758545",NA,"COC1=CC=C(C=C1)C2=C(ON=C2)C3=C(C=C(C=C3)OC)O","PEVNUEUZMKARKC-UHFFFAOYSA-N",135577618,NA,"PDBC48902","758545","Present",NA,NA
+"48903","NSC758548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758548",NA,"COC1=CC=C(C=C1)C2=C(C(=O)CC2)C3=CC(=C(C(=C3)OC)OC)OC","OSYVSONSKGGOKU-UHFFFAOYSA-N",44301775,NA,"PDBC48903","758548","Present",NA,NA
+"48904","NSC758551",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758551",NA,"COC1=CC=C(C=C1)C2=C(NN=C2N)C3=CC(=C(C(=C3)OC)OC)OC","SITNEARYBVAYKV-UHFFFAOYSA-N",46183322,NA,"PDBC48904","758551","Present",NA,NA
+"48905","NSC758553",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758553",NA,"COC1=CC=C(C=C1)C2=C(C(=NN2)N)C3=CC4=C(C(=C3)OC)OCO4","GIOSRJQJUKBUHY-UHFFFAOYSA-N",51138521,NA,"PDBC48905","758553","Present",NA,NA
+"48906","NSC758554",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758554",NA,"C1COC2=C(O1)C=CC(=C2)NC(=O)C(=O)C3=CNC4=CC=CC=C43","DJNRVNKKGUZCQU-UHFFFAOYSA-N",5304336,NA,"PDBC48906","758554","Present",NA,NA
+"48907","NSC758556",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758556",NA,"C1OC2=C(O1)C=C(C=C2)NC(=O)C(=O)C3=CNC4=C3C=CC(=C4)F","STBUUOGXPODQQP-UHFFFAOYSA-N",16762259,NA,"PDBC48907","758556","Present",NA,NA
+"48908","NSC758845",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758845",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NCC(=O)NC4=CC5=C(C=C4)C(=O)C6=CC=CC=C6C5=O","FJXVSAFLKIYPLD-UHFFFAOYSA-N",155813050,NA,"PDBC48908","758845","Present",NA,NA
+"48909","NSC758977",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758977",NA,"CC1=CC=C(S1)C=CC(=O)C2=CC=C(C=C2)F","RESDEUOXTVNZGW-CMDGGOBGSA-N",5902756,NA,"PDBC48909","758977","Present",NA,NA
+"48910","NSC758983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758983",NA,"CN1CC(=CC2=CC(=C(C(=C2)OC)OC)OC)C3=C(C1)C(C4=C(N3)N=C(NC4=O)SC)C5=CC(=C(C(=C5)OC)OC)OC","NTWNFVKIPIOAEO-GIJQJNRQSA-N",136226177,NA,"PDBC48910","758983","Present",NA,NA
+"48911","NSC759004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759004",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C5=CC=C(C=C5)Cl","NUPVJQAQMDZZRV-UHFFFAOYSA-N",72374604,NA,"PDBC48911","759004","Present",NA,NA
+"48912","NSC759006",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759006",NA,"C1C(N(N=C1C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C=O)C5=CC=C(C=C5)Cl","NHDCLIHKQFTGPS-UHFFFAOYSA-N",72374705,NA,"PDBC48912","759006","Present",NA,NA
+"48913","NSC759013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759013",NA,"COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N3CCCCC3)OCCCCCCOC4=C(C=C(C=C4)C=C5C(=O)N=C(S5)N6CCCCC6)OC","PFCMVRAOCLQEJV-LYWFMZLMSA-N",155816025,NA,"PDBC48913","759013","Present",NA,NA
+"48914","NSC759015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759015",NA,"C1C(N(N=C1C2=CC=C(C=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C=O)C5=CC=CC=C5","ARIXGTWCQSIQTC-UHFFFAOYSA-N",72374706,NA,"PDBC48914","759015","Present",NA,NA
+"48915","NSC759016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759016",NA,"COC1=CC=C(C=C1)C2CC(=NN2C=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","UPRBSZYGEYEIFB-UHFFFAOYSA-N",72374707,NA,"PDBC48915","759016","Present",NA,NA
+"48916","NSC759017",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759017",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","ASTWHZQZVAVCHA-UHFFFAOYSA-N",72374708,NA,"PDBC48916","759017","Present",NA,NA
+"48917","NSC759018",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759018",NA,"CC1=CC=C(C=C1)C2CC(=NN2C=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","NPFXESKRDWSUQH-UHFFFAOYSA-N",72374709,NA,"PDBC48917","759018","Present",NA,NA
+"48918","NSC759025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759025",NA,"CC1(CC(C2=C(O1)C=CC(=C2)NC(=O)OC(C)(C)C)NC(=O)NC3=CC=CC(=C3)C#N)C","CJYMCBSCMOLHIE-UHFFFAOYSA-N",60141294,NA,"PDBC48918","759025","Present",NA,NA
+"48919","NSC759205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759205",NA,"C1=CC=C2C(=C1)NC(=N2)C(=O)CCC3=NN=C(O3)C4=C(C=CC=C4Cl)Cl","QJYMHHLFMIEYOQ-UHFFFAOYSA-N",155805147,NA,"PDBC48919","759205","Present",NA,NA
+"48920","NSC759762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759762",NA,"COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=CC=C4","YYZIKUYNPMRVIX-UHFFFAOYSA-N",71680778,NA,"PDBC48920","759762","Present",NA,NA
+"48921","NSC759911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759911",NA,"CN1CCCNC2=C(C(=O)C2=O)NCCCN(CCCNC3=C(C(=O)C3=O)NCCCN(CCCNC4=C(C(=O)C4=O)NCCCN(CCCNC5=C(C(=O)C5=O)NCCCN(CCCNC6=C(C(=O)C6=O)NCCCN(CCCNC7=C(C(=O)C7=O)NCCCN(CCCNC8=C(C(=O)C8=O)NCCC1)C)C)C)C)C)C","HVNZFNCEIHVGBN-UHFFFAOYSA-N",71467249,NA,"PDBC48921","759911","Present",NA,NA
+"48922","NSC760200",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760200",NA,"C1=CC=C(C=C1)OC2=CC3=C(C=C2)C(=O)NC4=C(O3)C=CC(=C4)Cl","PGAAGKZEOCRNKU-UHFFFAOYSA-N",5301223,NA,"PDBC48922","760200","Present",NA,NA
+"48923","NSC760216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760216",NA,"C1COC2=C(O1)C=CC(=C2)NC3=NN=C(O3)C4=CC=CC=C4NCC5=CN=CC=C5","GCHJYWWYEAACSD-UHFFFAOYSA-N",5147158,NA,"PDBC48923","760216","Present",NA,NA
+"48924","NSC760217",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760217",NA,"C1COC2=C(O1)C=CC(=C2)NC3=NN=C(O3)C4=CC=CC=C4NCC5=CC=NC=C5","IQVQCEHRAJVTIU-UHFFFAOYSA-N",5147157,NA,"PDBC48924","760217","Present",NA,NA
+"48925","NSC760220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760220",NA,"COC1=CC2=C(C=C1)C(C3=C(N2)COC3=O)C4=CC(=CC(=C4)OC)OC","LGJCFMXXNMRJEO-UHFFFAOYSA-N",44593137,NA,"PDBC48925","760220","Present",NA,NA
+"48926","NSC760222",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760222",NA,"COC1=CC2=C(C=C1)C(C3=C(O2)COC3=O)C4=CC(=C(C(=C4)OC)OC)OC","HATZBFXMURZONN-UHFFFAOYSA-N",51138513,NA,"PDBC48926","760222","Present",NA,NA
+"48927","NSC760223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760223",NA,"C1C2=C(C(C3=CC4=C(C=C3N2)OCO4)C5=CC=CC=C5)C(=O)O1","BDMYAZQPJOCOKN-UHFFFAOYSA-N",3489043,NA,"PDBC48927","760223","Present",NA,NA
+"48928","NSC760224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760224",NA,"COC1=CC(=CC2=C1OCO2)C3C4=C(C5=C(CCCC5)C=C4)NC6=C3C(=O)OC6","TYHUBYKXPIXYJV-UHFFFAOYSA-N",46949592,NA,"PDBC48928","760224","Present",NA,NA
+"48929","NSC760452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760452",NA,"C1=CC=C2C(=C1)NC(=N2)C(=O)CCC3=NN=C4N3N=C(S4)C5=C(C=C(C=C5)Cl)Cl","IMAJELXTMVLUHE-UHFFFAOYSA-N",71655035,NA,"PDBC48929","760452","Present",NA,NA
+"48930","NSC760950",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760950",NA,"C1OC2=C(O1)C=C(C=C2)NC3=NN=C(O3)C4=CC=CC=C4NCC5=CN=CC=C5","YGEIJPASRUSQQD-UHFFFAOYSA-N",5147156,NA,"PDBC48930","760950","Present",NA,NA
+"48931","NSC760951",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760951",NA,"COC1=CC(=CC2=C1OCO2)C3C4=CC5=C(C=C4OC(=C3C#N)N)OCO5","QEVYVYPSEWQDPA-UHFFFAOYSA-N",9947300,NA,"PDBC48931","760951","Present",NA,NA
+"48932","NSC760952",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760952",NA,"COC1=CC=CC(=C1)C2C3=CC4=C(C=C3OC(=C2C#N)N)OCO4","HLTIWUUAMXMQRC-UHFFFAOYSA-N",56951977,NA,"PDBC48932","760952","Present",NA,NA
+"48933","NSC760953",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760953",NA,"C1OC2=C(O1)C=C3C(=C2)C(C(=C(O3)N)C#N)C4=CC=CS4","CPUQBCLTABRYQF-UHFFFAOYSA-N",56951978,NA,"PDBC48933","760953","Present",NA,NA
+"48934","NSC760954",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760954",NA,"COC1=CC=C(C=C1)C=C(C#N)C2=CC(=C(C(=C2)OC)OC)OC","IHKBGXGPWWAEPU-OQLLNIDSSA-N",10568070,NA,"PDBC48934","760954","Present",NA,NA
+"48935","NSC760955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760955",NA,"COC1=CC=C(C=C1)C2=C(ON=C2N)C3=CC4=C(C(=C3)OC)OCCO4","XSKZNHPFLZNNHA-UHFFFAOYSA-N",76328509,NA,"PDBC48935","760955","Present",NA,NA
+"48936","NSC760956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760956",NA,"COC1=CC2=C(C=C1)C(C3=C(O2)COC3=O)C4=CC5=C(C(=C4)OC)OCCO5","SJGGWYVNZAEBPH-UHFFFAOYSA-N",57404231,NA,"PDBC48936","760956","Present",NA,NA
+"48937","NSC760958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760958",NA,"COC1=CC=C(C=C1)C2NC3=CC4=C(C=C3C(=O)N2)OCO4","RWEMFXBIKZUUPQ-UHFFFAOYSA-N",155805124,NA,"PDBC48937","760958","Present",NA,NA
+"48938","NSC760968",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760968",NA,"COC1=CC=C(C=C1)C2=CN=NN2C3=NON=C3N4C=CC=C4","MXDBFQMQEBFVMR-UHFFFAOYSA-N",5297068,NA,"PDBC48938","760968","Present",NA,NA
+"48939","NSC760978",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760978",NA,"COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCCNCCCN)C2=O","ZLWLAMPQBDNTRX-UHFFFAOYSA-N",137637897,NA,"PDBC48939","760978","Present",NA,NA
+"48940","NSC760979",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760979",NA,"COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCN)C2=O","HXHVPSWNELPNPY-UHFFFAOYSA-N",137645384,NA,"PDBC48940","760979","Present",NA,NA
+"48941","NSC760980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC760980",NA,"COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCOCCCCOCCCN)C2=O","HZCWFXMCNAKZMP-UHFFFAOYSA-N",137647086,NA,"PDBC48941","760980","Present",NA,NA
+"48942","NSC761039",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761039",NA,"C1COC2=C(O1)C=C3CC(=O)NN=C(C3=C2)C4=CC(=C(C=C4)N)Cl","DEWIZYUNPVSWTP-UHFFFAOYSA-N",44406352,NA,"PDBC48942","761039","Present",NA,NA
+"48943","NSC761065",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761065",NA,"CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4OC(=O)CC[Se][Se]CCC(=O)OC5CCC6C5(CCC7C6CCC8C7(CCC(=O)C8)C)C)C","DJXVHJNNEGAJNB-HMZYYOGWSA-N",155812979,NA,"PDBC48943","761065","Present",NA,NA
+"48944","NSC761083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761083",NA,"CSC1=CC=C(C=C1)C=C2C=C(C3=C2C=CC(=C3)F)CC(=O)NCC4=CC=C(C=C4)C(=O)C5=CC=CC=C5","JSNJYQNQNJMSSR-YZSQISJMSA-N",57563359,NA,"PDBC48944","761083","Present",NA,NA
+"48945","NSC761137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761137",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C=CC3=CC(=C(C=C3)OC)OC","FZCRNLJLGZSQNG-LMEHAKNHSA-N",155808288,NA,"PDBC48945","761137","Present",NA,NA
+"48946","NSC761138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761138",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC","AOWDBZAJEJLEJU-CWXHDNBGSA-N",155816075,NA,"PDBC48946","761138","Present",NA,NA
+"48947","NSC761139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761139",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C=CC3=CC=C(C=C3)F","XZPPUJHSLYKZJF-FNYRDHLYSA-N",134197472,NA,"PDBC48947","761139","Present",NA,NA
+"48948","NSC761141",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761141",NA,"COC1=CC(=CC(=C1OC)NC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC","QOUCIYXDOMKIRQ-XAZJVICWSA-N",155816071,NA,"PDBC48948","761141","Present",NA,NA
+"48949","NSC761142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761142",NA,"COC1=C(C=C(C=C1)C=CC(=O)NC2=C(C(=CC(=C2)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)OC","CTBCBCVVQKCVJR-CWXHDNBGSA-N",155806886,NA,"PDBC48949","761142","Present",NA,NA
+"48950","NSC761156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761156",NA,"CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC(=O)CCl","OFKKIEPXDRKLBZ-PXIZRQDGSA-N",155806822,NA,"PDBC48950","761156","Present",NA,NA
+"48951","NSC761184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761184",NA,"CN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)C=CC2=CC(=CC=C2)Cl","AJCDZIDKYKCOMZ-AATRIKPKSA-N",51003603,NA,"PDBC48951","761184","Present",NA,NA
+"48952","NSC761191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761191",NA,"COC1=C(C=CC(=C1)OCCCN2CCCC2)NC3=NC=C(C(=N3)NC4=CC=CC=C4P(=O)(C)C)Cl","RQDNRYSBNFWQCV-UHFFFAOYSA-N",68165315,NA,"PDBC48952","761191","Present",NA,NA
+"48953","NSC761233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761233",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)OC)C4=CC=NC=C4","YULXNOGHTBMJEX-UHFFFAOYSA-N",155804967,NA,"PDBC48953","761233","Present",NA,NA
+"48954","NSC761335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761335",NA,"CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C(=C2)Br)O)OC)C(=O)OCC)C)C","VFGZXFZKAMCGOG-UHFFFAOYSA-N",981662,NA,"PDBC48954","761335","Present",NA,NA
+"48955","NSC761340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761340",NA,"CC1=C(C(=O)N(N1)C2=CC(=CC=C2)Cl)C=C3C=NC4=C3C=C(C=C4)Br","ZMKNHZHVBNOXPI-KPKJPENVSA-N",60196151,NA,"PDBC48955","761340","Present",NA,NA
+"48956","NSC76150",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC76150",NA,"C1CCN(CC1)C2C(CCO2)OC3C(OC4C(O3)COC4N5CCCCC5)N6CCCCC6","GEIVMATTYGLBGB-SQIYIBJGSA-N",253322,NA,"PDBC48956","76150","Present",NA,NA
+"48957","NSC761517",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761517",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCCOC3=CC4=CC=CC=C4C=C3C(=O)NC5=C(C=C(C=C5)Cl)O)OCCCN","BPZOGWXXIUMIML-UHFFFAOYSA-N",71566310,NA,"PDBC48957","761517","Present",NA,NA
+"48958","NSC761526",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761526",NA,"CCCCCCCCCCCCNC(=O)NC(C(C)C)C(=O)NC1C=CCCNC(=O)C=CC(NC1=O)C","TXNDCVCDINQHIX-OEXOOWIWSA-N",90055426,NA,"PDBC48958","761526","Present",NA,NA
+"48959","NSC761527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761527",NA,"CCCCCCCCCCCCNC(=O)NC(C(C)C)C(=O)NC1C=COCCNC(=O)C=CC(NC1=O)C(C)C","VDBRWIOBAIOGDE-SZHANPEISA-N",56946443,NA,"PDBC48959","761527","Present",NA,NA
+"48960","NSC761545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761545",NA,"CC(C)(C)C1=NN(C2=C1C(=O)CSC(N2)C3=CC=CC=C3Cl)C4=CC=CC=C4","AHJVEKSYYLFJQE-UHFFFAOYSA-N",155808160,NA,"PDBC48960","761545","Present",NA,NA
+"48961","NSC761549",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761549",NA,"CC1=CC=C(C=C1)N(CC2=CC(=C(C(=C2)OC)OC)OC)C3C4=CC=CC=C4C(=O)O3","UURYIUHASSAWFL-UHFFFAOYSA-N",155808158,NA,"PDBC48961","761549","Present",NA,NA
+"48962","NSC761550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761550",NA,"CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)Cl)C4=NNC(=C4)C(C)(C)C","AQSOAQAITSEUIN-UHFFFAOYSA-N",155812982,NA,"PDBC48962","761550","Present",NA,NA
+"48963","NSC761552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761552",NA,"CCNC(=O)C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)Cl)C4=NNC(=C4)C(C)(C)C","SICJDRRTPVTRFH-UHFFFAOYSA-N",155805012,NA,"PDBC48963","761552","Present",NA,NA
+"48964","NSC761618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761618",NA,NA,NA,NA,NA,"PDBC48964","761618","Present",NA,NA
+"48965","NSC761676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761676",NA,"C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N4C2=NN=C4C5=CC=CC=C5Cl","OPZSDYBOKMUIHZ-UHFFFAOYSA-N",46945878,NA,"PDBC48965","761676","Present",NA,NA
+"48966","NSC761768",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761768",NA,"COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCNCCCN)C2=O","HVKGTKVSZFUWPL-UHFFFAOYSA-N",137662137,NA,"PDBC48966","761768","Present",NA,NA
+"48967","NSC761769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761769",NA,"COC1=CC=CC=C1CNCCCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)CCCNCCCCN)C2=O","OHFXFRJMJUJUJA-UHFFFAOYSA-N",137653213,NA,"PDBC48967","761769","Present",NA,NA
+"48968","NSC761821",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761821",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC=C(C=C6)F","ISANIGPYQXFDRH-VKAVYKQESA-N",155806857,NA,"PDBC48968","761821","Present",NA,NA
+"48969","NSC761825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761825",NA,"COC1=CC2=C(C=C1)NC(=C2C=C3C=C4C5=CC=CC=C5N=C4C(=N3)C6=CC(=C(C=C6)F)OC)O","ZFTXKZGYQFBIRI-SSZFMOIBSA-N",155810071,NA,"PDBC48969","761825","Present",NA,NA
+"48970","NSC761826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761826",NA,"COC1=C(C=CC(=C1)C2=NC(=CC3=C(NC4=CC=CC=C43)O)C=C5C2=NC6=CC=CC=C65)F","NXLNHUMALKTDMG-PEZBUJJGSA-N",155811210,NA,"PDBC48970","761826","Present",NA,NA
+"48971","NSC761980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761980",NA,"C1=CC=C2C(=C1)NC(=N2)C(=O)CCC3=NN=C(O3)C4=C(C=C(C=C4Br)N)Br","LVJHIEZABVWAKP-UHFFFAOYSA-N",71451481,NA,"PDBC48971","761980","Present",NA,NA
+"48972","NSC761982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761982",NA,"CC1=CNC(=O)N(C1=O)CC2=NN=C(O2)CCC(=O)C3=NC4=CC=CC=C4N3","JDVKRCDPWMTCTR-UHFFFAOYSA-N",155810082,NA,"PDBC48972","761982","Present",NA,NA
+"48973","NSC761997",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761997",NA,"COC1=CC(=CC(=C1O)CN2CCCCC2)C3=NC4=CC=CC=C4O3","UODWOUQZJKYLJT-UHFFFAOYSA-N",155815922,NA,"PDBC48973","761997","Present",NA,NA
+"48974","NSC762073",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762073",NA,"CCOC1=CC=C(C=C1)C2=CN=NN2C3=NON=C3N4C=CC=C4","LSLRZBNJQYUOPW-UHFFFAOYSA-N",5300558,NA,"PDBC48974","762073","Present",NA,NA
+"48975","NSC762105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762105",NA,"CCN(CC)C1=CC=C(C=C1)C=C2C(=O)C(C(=O)S2)NC3=NN=C(O3)C4=C(N=CC=C4)SCC5=CC=CC=C5","BQNQACJIHUPEKE-QJOMJCCJSA-N",155811172,NA,"PDBC48975","762105","Present",NA,NA
+"48976","NSC762148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762148",NA,"C1CC=CC2CC(CC2C(C=CC(=O)OC(C1)CCC3=CC=C(C=C3)NC(=S)NC4=CC5=C(C=C4)C6(C7=C(C=C(C=C7)O)OC8=C6C=CC(=C8)O)OC5=O)O)O","PTDLLGYYFYDCMI-GBBQBRMQSA-N",155808188,NA,"PDBC48976","762148","Present",NA,NA
+"48977","NSC762149",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762149",NA,"CC(=O)NC1=CC=C(C=C1)CCC2CCCC=CC3CC(CC3C(C=CC(=O)O2)O)O","QYMLLLAINXDCQI-XBYDYZNLSA-N",71763425,NA,"PDBC48977","762149","Present",NA,NA
+"48978","NSC762213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762213",NA,"CC(C)C(C(=O)OC)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC2=CC=CC=C2)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","QTQOUDGQKLMTFG-OMQKAAQBSA-N",155805078,NA,"PDBC48978","762213","Present",NA,NA
+"48979","NSC762348",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762348",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)CC(=O)C=CC2=CC(=C(C(=C2)OC)OC)OC","SDNAMNDIWKXJAS-FIFLTTCUSA-N",10813672,NA,"PDBC48979","762348","Present",NA,NA
+"48980","NSC762458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762458",NA,"C1=CC=C(C=C1)CN2C=C3C4=CC=CC=C4C(=O)C(C5=C3C2=CC=C5)C6=CN=CC=C6","WILWIMKIEAORLB-UHFFFAOYSA-N",57409953,NA,"PDBC48980","762458","Present",NA,NA
+"48981","NSC762463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762463",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C4C2CC5=CC=CC=C5C4=C(C(=C3O)OC)OC","KEISFBXUEZKXLS-UHFFFAOYSA-N",76511174,NA,"PDBC48981","762463","Present",NA,NA
+"48982","NSC762464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762464",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C4C2CC5=C(C4=C(C=C3)O)C6=C(C=C5)OCO6","VMJRNQHEWKCHHN-UHFFFAOYSA-N",155809944,NA,"PDBC48982","762464","Present",NA,NA
+"48983","NSC762465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762465",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C4C2CC5=C(C4=C(C=C3)O)C=CC(=C5)Cl","JAGIUAMHMUYNSG-UHFFFAOYSA-N",155809945,NA,"PDBC48983","762465","Present",NA,NA
+"48984","NSC762539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762539",NA,"C1C(N(N=C1C2=CC(=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C=O)C5=CC=C(C=C5)Cl","IHBIYHNMPZRNJE-UHFFFAOYSA-N",72374827,NA,"PDBC48984","762539","Present",NA,NA
+"48985","NSC762540",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762540",NA,"C1C(N(N=C1C2=CC(=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl)C=O)C5=CC=CC=C5","LPOFQDCYICNZSO-UHFFFAOYSA-N",72374828,NA,"PDBC48985","762540","Present",NA,NA
+"48986","NSC762541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762541",NA,"COC1=CC=C(C=C1)C2CC(=NN2C=O)C3=CC(=CC=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","DLMCHZCMYHLUCE-UHFFFAOYSA-N",72374829,NA,"PDBC48986","762541","Present",NA,NA
+"48987","NSC762542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762542",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C=O)C3=CC(=CC=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","PTTVMRANHIBXPY-UHFFFAOYSA-N",72374830,NA,"PDBC48987","762542","Present",NA,NA
+"48988","NSC762545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762545",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)Cl)OC","WECUEHYZAYOVMD-UHFFFAOYSA-N",155813083,NA,"PDBC48988","762545","Present",NA,NA
+"48989","NSC762555",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762555",NA,"CC(=O)N1C(CC(=N1)C2=CC=C(C=C2)OC)C3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)Cl)OC","CFZCFVPDVPAFDM-UHFFFAOYSA-N",155810023,NA,"PDBC48989","762555","Present",NA,NA
+"48990","NSC762557",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762557",NA,"CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)Cl)OC)C(=O)C","KKOLVCVXEFOETR-UHFFFAOYSA-N",155808269,NA,"PDBC48990","762557","Present",NA,NA
+"48991","NSC762559",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762559",NA,"COC1=C(C=CC(=C1)C2CC(=NN2C=O)C3=CC=CC=C3)OC4=C5C=CC(=CC5=NC=C4)Cl","GXRYJCFMPLUZIR-UHFFFAOYSA-N",155810020,NA,"PDBC48991","762559","Present",NA,NA
+"48992","NSC762564",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762564",NA,"CN1C2=C(N=C1OC3=C(C=C(C=C3)C=CC(=O)C4=CC(=C(C(=C4)OC)OC)OC)OC)N(C(=O)N(C2=O)C)C","XNVCNRYXMKBQNL-CSKARUKUSA-N",118731448,NA,"PDBC48992","762564","Present",NA,NA
+"48993","NSC762566",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762566",NA,"CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)Cl)OC)C=O","LFKFJQHGOCVMJZ-UHFFFAOYSA-N",155810024,NA,"PDBC48993","762566","Present",NA,NA
+"48994","NSC762583",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762583",NA,"CN(C)C1=NC2=CC(=NN2C(=N1)C3=CC=CS3)C4=CC=C(C=C4)Cl","BEJYOMNNIPAVNU-UHFFFAOYSA-N",155810019,NA,"PDBC48994","762583","Present",NA,NA
+"48995","NSC762610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762610",NA,"CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC(=O)NC(=O)CCl","IKNMBXMBOZHCSB-PXIZRQDGSA-N",155811405,NA,"PDBC48995","762610","Present",NA,NA
+"48996","NSC762611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762611",NA,"CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC(=O)NC(=O)CI","GYPXDJXHZHZMBP-PXIZRQDGSA-N",155813040,NA,"PDBC48996","762611","Present",NA,NA
+"48997","NSC762612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762612",NA,"CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)N","LPIBIWBAKPODGP-WVBWZXASSA-N",155811407,NA,"PDBC48997","762612","Present",NA,NA
+"48998","NSC762696",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762696",NA,"CN1C2=C3C(=CC1=O)C4=CC=CC=C4C(=O)C3=C(C=C2)NCCCO","PWYWLCMHYGNVNI-UHFFFAOYSA-N",51138617,NA,"PDBC48998","762696","Present",NA,NA
+"48999","NSC762756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762756",NA,"CC1=NN(C2=NC=C3C(=C12)C(=O)N(C3=O)CC4=CC=CC=C4)C5=CC=CC=C5","MCLPSOQKWSCSES-UHFFFAOYSA-N",66506251,NA,"PDBC48999","762756","Present",NA,NA
+"49000","NSC762763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762763",NA,"CC1=NN(C2=C1N=C3C(=N2)C4=CC=CC=C4C(=O)C3=O)C5=CC=C(C=C5)Cl","HMIYKHHTESHGBU-UHFFFAOYSA-N",155816017,NA,"PDBC49000","762763","Present",NA,NA
+"49001","NSC762765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762765",NA,"CC1=NN(C2=C1N=C3C(=N2)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl","GUTXFLUCKQBUPQ-UHFFFAOYSA-N",101584019,NA,"PDBC49001","762765","Present",NA,NA
+"49002","NSC762782",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762782",NA,"CN1CCC(CC1)C2=C(C=C(C(=C2OC)C(=O)C=CC3=C(C=C(C=C3OC)OC)OC)O)OC","DXOJEHVIHWEKEQ-BQYQJAHWSA-N",134266828,NA,"PDBC49002","762782","Present",NA,NA
+"49003","NSC762795",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762795",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCOC3=CC4=CC=CC=C4C=C3C(=O)NC5=C(C=C(C=C5)Cl)O)OCCCN","AZHZVCGYOUJGQE-UHFFFAOYSA-N",71566397,NA,"PDBC49003","762795","Present",NA,NA
+"49004","NSC762805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762805",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C4=NC5=CC=CC=C5O4","LOTPSCLVDAQHBO-UHFFFAOYSA-N",155808139,NA,"PDBC49004","762805","Present",NA,NA
+"49005","NSC762858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762858",NA,"CC1=C(SC2=C1C(=O)N(C3=NN=C(N23)SCC(=O)NC4=CC=C(C=C4)Cl)CC5=CC=CC=C5)C(=O)N","DTFQQHBBAOFPGJ-UHFFFAOYSA-N",155805059,NA,"PDBC49005","762858","Present",NA,NA
+"49006","NSC762864",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762864",NA,"CC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=C(C(=C(S4)C(=O)N)C)C(=O)N3CC5=CC=CC=C5","SYPOBBPRBVALMZ-UHFFFAOYSA-N",155814470,NA,"PDBC49006","762864","Present",NA,NA
+"49007","NSC762870",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762870",NA,"CC1=C(SC2=C1C(=O)N(C3=NN=C(N23)S(=O)(=O)CC(=O)NC4=CC=C(C=C4)Cl)CC5=CC=CC=C5)C(=O)N","YLHZNDYRTDVLBB-UHFFFAOYSA-N",155806814,NA,"PDBC49007","762870","Present",NA,NA
+"49008","NSC762916",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762916",NA,"COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C#N)C3=CC(=CC=C3)Cl","JWIQPEQCEQEAJS-UHFFFAOYSA-N",135276809,NA,"PDBC49008","762916","Present",NA,NA
+"49009","NSC762920",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762920",NA,"CC1=CC=C(O1)C2=NC3=C(C(=C(C(=O)N3N2)C#N)C4=CN(N=C4C5=CC=C(C=C5)OC)C6=CC(=CC=C6)Cl)C#N","PUDDBBKSWGAVNQ-UHFFFAOYSA-N",155815906,NA,"PDBC49009","762920","Present",NA,NA
+"49010","NSC762921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762921",NA,"CC1=CC=C(C=C1)C2=NC3=C(C(=C(C(=O)N3N2)C#N)C4=CN(N=C4C5=CC=C(C=C5)OC)C6=CC(=CC=C6)Cl)C#N","ZRPMQBDKPHXLAJ-UHFFFAOYSA-N",155804986,NA,"PDBC49010","762921","Present",NA,NA
+"49011","NSC762927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762927",NA,"COC1=CC=C(C=C1)C2=NN(C=C2C3=CC(=NO3)C4=CC=CS4)C5=CC(=CC=C5)Cl","ZAOOVZWLWLZFHR-UHFFFAOYSA-N",155809890,NA,"PDBC49011","762927","Present",NA,NA
+"49012","NSC762929",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762929",NA,"COC1=CC=C(C=C1)C2=NN(C=C2C3=NC(=S)NC(=C3)C4=CC=CS4)C5=CC(=CC=C5)Cl","PTMONEISCRBEBT-UHFFFAOYSA-N",132578591,NA,"PDBC49012","762929","Present",NA,NA
+"49013","NSC762930",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762930",NA,"COC1=CC=C(C=C1)C2=NN(C=C2C3=C(C(=O)NC(=N3)N)C#N)C4=CC(=CC=C4)Cl","JQONODMPMHHUBM-UHFFFAOYSA-N",137246628,NA,"PDBC49013","762930","Present",NA,NA
+"49014","NSC762932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762932",NA,"COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)N(C(=S)N3)C4=CC=C(C=C4)Cl)C5=CC(=CC=C5)Cl","WPSHKFWTVZEESB-QRVIBDJDSA-N",155806736,NA,"PDBC49014","762932","Present",NA,NA
+"49015","NSC762934",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762934",NA,"COC1=CC=C(C=C1)C2=NN(C=C2C3=C(C(=O)NC(=C3)C4=CC=CC=C4)C#N)C5=CC(=CC=C5)Cl","CICDTOAQDMCRCN-UHFFFAOYSA-N",155809889,NA,"PDBC49015","762934","Present",NA,NA
+"49016","NSC762936",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762936",NA,"COC1=CC=C(C=C1)C2=NN(C=C2C3=NC(=NC(=C3)C4=CC=CC=C4)N)C5=CC(=CC=C5)Cl","ZGPFRYVWHSYORM-UHFFFAOYSA-N",155806739,NA,"PDBC49016","762936","Present",NA,NA
+"49017","NSC762963",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762963",NA,"CC(CCC=C(C)C(=O)O)C1CCC2(C1(CCC3=C2CCC4C3(CCC(=O)C4(C)C)C)C)C","KDCSSVADTHDYGI-KWFVXTLTSA-N",71490871,NA,"PDBC49017","762963","Present",NA,NA
+"49018","NSC762986",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762986",NA,"COC1=CC(=CC(=C1OC)OC)NC(=O)CSC2=NC3=CC(=C(C=C3C(=O)N2CC4=CC=CC=C4)OC)OC","ZJMICCKLQXXPBO-UHFFFAOYSA-N",155806717,NA,"PDBC49018","762986","Present",NA,NA
+"49019","NSC762988",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC762988",NA,"CC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3)SCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC","GIQRTMMDUQLNGE-UHFFFAOYSA-N",155809865,NA,"PDBC49019","762988","Present",NA,NA
+"49020","NSC763017",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763017",NA,"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl)F)C(=O)O","LLGYTLXTKQDECH-UHFFFAOYSA-N",1935732,NA,"PDBC49020","763017","Present",NA,NA
+"49021","NSC763019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763019",NA,"COC1=CC=C(C=C1)N=NC(=C(C2=CC=C(C=C2)Cl)O)C(=O)C(F)(F)F","WNOFQIYYIZCNAX-HYBMSBHASA-N",155808088,NA,"PDBC49021","763019","Present",NA,NA
+"49022","NSC763118",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763118",NA,"CC1=CC(=CC=C1)CN(C)C2=CC(=C(C=C2)CO)Cl","UFFPEYTVZAVITG-UHFFFAOYSA-N",108293732,NA,"PDBC49022","763118","Present",NA,NA
+"49023","NSC763120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763120",NA,"CCN(CC1=CC(=CC=C1)OC)C2=CC(=C(C=C2)CO)Cl","VQROWKDZHJIHOE-UHFFFAOYSA-N",155806744,NA,"PDBC49023","763120","Present",NA,NA
+"49024","NSC763121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763121",NA,"CN(CC1=CC(=CC=C1)OC)C2=CC(=C(C=C2)CO)Cl","FOUQHLMDUOLQNJ-UHFFFAOYSA-N",108293743,NA,"PDBC49024","763121","Present",NA,NA
+"49025","NSC763122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763122",NA,"CN(CC1=CC=C(C=C1)OC)C2=CC(=C(C=C2)CO)Cl","YKCLGWDMPYZFPW-UHFFFAOYSA-N",108293742,NA,"PDBC49025","763122","Present",NA,NA
+"49026","NSC763123",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763123",NA,"CCN(CC1=CC=C(C=C1)OC)C2=CC(=C(C=C2)CO)Cl","MJDUVNSLLCEHQW-UHFFFAOYSA-N",155814404,NA,"PDBC49026","763123","Present",NA,NA
+"49027","NSC763124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763124",NA,"CC1=CC=C(C=C1)CN(C)C2=CC(=C(C=C2)CO)Cl","JBDKMUPCTRCTNN-UHFFFAOYSA-N",108293674,NA,"PDBC49027","763124","Present",NA,NA
+"49028","NSC763125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763125",NA,"CCN(CC1=CC=C(C=C1)C)C2=CC(=C(C=C2)CO)Cl","TXCLFYOZAAOTDJ-UHFFFAOYSA-N",155815911,NA,"PDBC49028","763125","Present",NA,NA
+"49029","NSC763126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763126",NA,"CN(CC1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)CO)Cl","HTILDAKBQPVGFE-UHFFFAOYSA-N",108293738,NA,"PDBC49029","763126","Present",NA,NA
+"49030","NSC763127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763127",NA,"CCN(CC1=CC=C(C=C1)Cl)C2=CC(=C(C=C2)CO)Cl","RQRMBLMJDQMNSA-UHFFFAOYSA-N",155815910,NA,"PDBC49030","763127","Present",NA,NA
+"49031","NSC763128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763128",NA,"CN(CC1=CC(=CC=C1)F)C2=CC(=C(C=C2)CO)Cl","JOWIZHOHWLGUQP-UHFFFAOYSA-N",108293675,NA,"PDBC49031","763128","Present",NA,NA
+"49032","NSC763129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763129",NA,"CCN(CC1=CC(=CC=C1)F)C2=CC(=C(C=C2)CO)Cl","UPYSUDKREHISHG-UHFFFAOYSA-N",155811300,NA,"PDBC49032","763129","Present",NA,NA
+"49033","NSC763130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763130",NA,"CN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","ZUMYDPLMEADMSN-UHFFFAOYSA-N",108293735,NA,"PDBC49033","763130","Present",NA,NA
+"49034","NSC763132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763132",NA,"CN(CC1=CC(=CC=C1)Cl)C2=CC(=C(C=C2)CO)Cl","GOAJSCITCYLUBX-UHFFFAOYSA-N",108293736,NA,"PDBC49034","763132","Present",NA,NA
+"49035","NSC763135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763135",NA,"CCN(CC1=CC(=CC=C1)Cl)C2=CC(=C(C=C2)CO)Cl","VASOTQNLLMEUOK-UHFFFAOYSA-N",155806743,NA,"PDBC49035","763135","Present",NA,NA
+"49036","NSC763136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763136",NA,"CCN(CC1=CC=CC(=C1)C)C2=CC(=C(C=C2)CO)Cl","KOYRYVNTHFMPFW-UHFFFAOYSA-N",155808122,NA,"PDBC49036","763136","Present",NA,NA
+"49037","NSC763186",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763186",NA,"COC1=CC=C(C=C1)C2=C(C(=NO2)N)C3=CC4=C(C(=C3)OC)OCO4","IKRQSCFDNOOBER-UHFFFAOYSA-N",51138522,NA,"PDBC49037","763186","Present",NA,NA
+"49038","NSC763187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763187",NA,"COC1=CC2=C(C=C1)C(C3=C(N2)COC3=O)C4=CC(=C(C(=C4)OC)OC)OC","HJYWTNKSSXJHQY-UHFFFAOYSA-N",9821374,NA,"PDBC49038","763187","Present",NA,NA
+"49039","NSC763188",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763188",NA,"COC1=CC(=CC(=C1OC)OC)C2C3=C(C=C(C=C3)O)OC(=C2C#N)N","TWSVURCWPHWPRC-UHFFFAOYSA-N",3381736,NA,"PDBC49039","763188","Present",NA,NA
+"49040","NSC763193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763193",NA,"COC1=CC=CC(=C1)C2C3=C(C=C(C=C3)N)OC(=C2C#N)N","IRKNJDSAWPLYSG-UHFFFAOYSA-N",2838911,NA,"PDBC49040","763193","Present",NA,NA
+"49041","NSC763196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763196",NA,"COC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=C(C(=C3)OC)OC)OC","MZLUGYPKQSBGDQ-UHFFFAOYSA-N",10109587,NA,"PDBC49041","763196","Present",NA,NA
+"49042","NSC763197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763197",NA,"COC1=CC=C(C=C1)C2=NNN=C2C3=CC(=C(C(=C3)OC)OC)OC","JHZMSGCUGQSNOA-UHFFFAOYSA-N",59430402,NA,"PDBC49042","763197","Present",NA,NA
+"49043","NSC763198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763198",NA,"COC1=CC=C(C=C1)C2=NNN=C2C3=CC(=C4C(=C3OC)OCO4)OC","DGTARDXIKVVWRO-UHFFFAOYSA-N",73334660,NA,"PDBC49043","763198","Present",NA,NA
+"49044","NSC763231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763231",NA,"CS(=O)(=O)C1=NC=CC(=N1)C2=C(N=C3N2C=CS3)C4=CC(=CC=C4)OCC5=CC=CC=C5","DQOWVAQFOQHAFL-UHFFFAOYSA-N",155804973,NA,"PDBC49044","763231","Present",NA,NA
+"49045","NSC763232",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763232",NA,"CS(=O)(=O)C1=NC=CC(=N1)C2=C(N=C3N2C=CS3)C4=CC(=CC=C4)OCC5=CC=C(C=C5)F","AWCIKMLGHHTGHO-UHFFFAOYSA-N",155811287,NA,"PDBC49045","763232","Present",NA,NA
+"49046","NSC763234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763234",NA,"CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F","HEDABOPSTQINEM-UHFFFAOYSA-N",155811282,NA,"PDBC49046","763234","Present",NA,NA
+"49047","NSC763235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763235",NA,"CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F","NDMIEBFJKNJNMK-UHFFFAOYSA-N",155812920,NA,"PDBC49047","763235","Present",NA,NA
+"49048","NSC763236",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763236",NA,"CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","JHLFWBZMEWIVII-UHFFFAOYSA-N",155812925,NA,"PDBC49048","763236","Present",NA,NA
+"49049","NSC763238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763238",NA,"CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)Cl","LFMQQHYOUYBLML-UHFFFAOYSA-N",155804969,NA,"PDBC49049","763238","Present",NA,NA
+"49050","NSC763241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763241",NA,"CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)C4=C5C(=CC=C4)OCCO5","NSHKCPQNISOTNS-UHFFFAOYSA-N",155809873,NA,"PDBC49050","763241","Present",NA,NA
+"49051","NSC763252",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763252",NA,"CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl","PFIYEJKRYRGLHC-UHFFFAOYSA-N",137640849,NA,"PDBC49051","763252","Present",NA,NA
+"49052","NSC763253",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763253",NA,"CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F","KJVVJNXHKRXUIN-UHFFFAOYSA-N",137632207,NA,"PDBC49052","763253","Present",NA,NA
+"49053","NSC763255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763255",NA,"CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","LTSSPZVYVIFFFL-UHFFFAOYSA-N",137661906,NA,"PDBC49053","763255","Present",NA,NA
+"49054","NSC763266",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763266",NA,"COC1=C(C(=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)C4=CC=C(C=C4)N)OC)OC","ICLWZACWSGXGSA-UHFFFAOYSA-N",86298116,NA,"PDBC49054","763266","Present",NA,NA
+"49055","NSC763277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763277",NA,"COC1=C(C=C(C=C1)C=C2CCCC3=C2NC(=NC3C4=CC(=C(C=C4)OC)OC)N)OC","FVHHMVKWHZUZRD-FOWTUZBSSA-N",13170781,NA,"PDBC49055","763277","Present",NA,NA
+"49056","NSC763504",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763504",NA,"B(C1=CC(=CC=C1)C=CC(=O)C2=CC=CC(=C2)B(O)O)(O)O","WVNCAPQCXJYTCH-BQYQJAHWSA-N",155811301,NA,"PDBC49056","763504","Present",NA,NA
+"49057","NSC763544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763544",NA,"CC1=CN2C(C3=C(C(=CC4=CC(=C(C(=C4)OC)OC)OC)CCC3)N=C2S1)C5=CC(=C(C(=C5)OC)OC)OC","LHKPFMURGBYLIS-YBFXNURJSA-N",76853563,NA,"PDBC49057","763544","Present",NA,NA
+"49058","NSC763582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763582",NA,"CC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CN(N=C3C4=CC=C(C=C4)OC)C5=CC(=CC=C5)Cl","ZTQLYKASXIBMPR-UHFFFAOYSA-N",155815904,NA,"PDBC49058","763582","Present",NA,NA
+"49059","NSC763587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763587",NA,"COC1=CC=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=N)C4=CC=CC=C4)N)C5=CC(=CC=C5)Cl","JWMHRHPOQBVLDD-YLOHPIGASA-N",135276800,NA,"PDBC49059","763587","Present",NA,NA
+"49060","NSC763728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763728",NA,"CC1=NC2=CC(=C(C=C2C=C1OC3=CC=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl)O)O","AMBFCSUKZPQVKI-UHFFFAOYSA-N",137642370,NA,"PDBC49060","763728","Present",NA,NA
+"49061","NSC763729",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763729",NA,"CCCCCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C","PKKMUEANKWVMET-UNOMPAQXSA-N",136226140,NA,"PDBC49061","763729","Present",NA,NA
+"49062","NSC763730",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763730",NA,"CCCCCCCCCCCCCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C","QETUEBRDMOAQEI-OOAXWGSJSA-N",136226144,NA,"PDBC49062","763730","Present",NA,NA
+"49063","NSC763731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763731",NA,"CCCCCCCCCCCCCCCCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C","ZJLYZHRDNXRHJR-WMMMYUQOSA-N",136226150,NA,"PDBC49063","763731","Present",NA,NA
+"49064","NSC763743",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763743",NA,"CC(C)CCNC(=O)C(CC(C)C)N1C=CC=C(C1=O)NC(=O)OCC=C","OCBADAHMNBDGEJ-QGZVFWFLSA-N",155811352,NA,"PDBC49064","763743","Present",NA,NA
+"49065","NSC763832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763832",NA,"CC1=C(C2=C(N1)C=C(C=C2)F)C3=NC4=C5C=CC=NC5=C6C(=C4N3)C=CC=N6","ZBMZAZLIAFTXRO-UHFFFAOYSA-N",71263684,NA,"PDBC49065","763832","Present",NA,NA
+"49066","NSC763856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763856",NA,"COC1=C(C(=CC(=C1)C2CC(=O)NC3=C2C=CC4=CC=CC=C43)Br)OC","WAWDHBJYONLCMT-UHFFFAOYSA-N",2891998,NA,"PDBC49066","763856","Present",NA,NA
+"49067","NSC763857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763857",NA,"COC1=C(C(=CC(=C1)C2CC(=O)NC3=C2C=C(C4=CC=CC=C43)Br)Br)OC","VKFHFHGJICJWII-UHFFFAOYSA-N",3275692,NA,"PDBC49067","763857","Present",NA,NA
+"49068","NSC763863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763863",NA,"COC1=CC=CC(=C1OC)C2CC(=O)NC3=C2C=C4CCCC4=C3","IUNDWRDFGZDBSG-UHFFFAOYSA-N",2939315,NA,"PDBC49068","763863","Present",NA,NA
+"49069","NSC764014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764014",NA,"C1=COC(=C1)CCCN=C(N)N=C(N)N","UQKSPQKMDIKOHA-UHFFFAOYSA-N",155812955,NA,"PDBC49069","764014","Present",NA,NA
+"49070","NSC764110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764110",NA,"CC1=C(NC(=C1C(=O)CCC(=O)OC2=CC3=C(C=C2)C4CCC5(C(C4CC3)CCC5=O)C)C)C=C6C(=CC(=N6)C7=CC=CN7)OC","JWHXHWRWDADAHV-FNTFXNTJSA-N",155813060,NA,"PDBC49070","764110","Present",NA,NA
+"49071","NSC764154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764154",NA,"CC(C)(C)C1=C2C(NC3=C(C=CC(=C3)C(=O)OCC4=CC=CC=C4)NC2=NN1)C5=CC6=CC=CC=C6NC5=O","XOIHBSGAJIGHGT-UHFFFAOYSA-N",155808157,NA,"PDBC49071","764154","Present",NA,NA
+"49072","NSC764156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764156",NA,"CC(C)(C)C1=C2C(NC3=C(C=CC(=C3)C(=O)NC4=CC=C(C=C4)Cl)NC2=NN1)C5=CC6=CC=CC=C6NC5=O","TYJBFGBPBYNBTP-UHFFFAOYSA-N",155805011,NA,"PDBC49072","764156","Present",NA,NA
+"49073","NSC764162",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764162",NA,"CC(C)(C)C1=CC(=NN1)N2C3=C(C=C(C=C3)C(=O)NC4=CC=C(C=C4)Cl)N=C2C5=CC=C(C=C5)Cl","KOLHGIJBUWJVJF-UHFFFAOYSA-N",155806768,NA,"PDBC49073","764162","Present",NA,NA
+"49074","NSC764264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764264",NA,"CC[Si](CC)(CC)OC1C(OC(C1O[Si](CC)(CC)CC)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC","MGUXLIWVZUSVQF-ZNEGPSOXSA-N",155805064,NA,"PDBC49074","764264","Present",NA,NA
+"49075","NSC764265",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764265",NA,"CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)N)COC(=O)NC(=O)CCl","WJBMTPVASDDXEX-KBAATXCXSA-N",155814481,NA,"PDBC49075","764265","Present",NA,NA
+"49076","NSC764266",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764266",NA,"CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)N)CNC(=O)NC(=O)CCl","YVNKQNSZXISWRN-KBAATXCXSA-N",155811408,NA,"PDBC49076","764266","Present",NA,NA
+"49077","NSC764269",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764269",NA,"CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC(=O)C(F)(F)F","ZWDADEGJJBWEME-KIPFHVTESA-N",155808236,NA,"PDBC49077","764269","Present",NA,NA
+"49078","NSC764270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764270",NA,"CC(C)(C)[Si](C)(C)OC1C(OC(C1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)NC(=O)NC4=CC=CC=C4)CNC(=O)NC(=O)CF","OKWVDGGMHPOPRA-PXIZRQDGSA-N",155813042,NA,"PDBC49078","764270","Present",NA,NA
+"49079","NSC764391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764391",NA,"C1CN(CCN1C2=CC=CC=N2)C3=NC(=NC(=N3)NCCOCCOCCN)C4=CC=C(C=C4)Cl","NBXOWQUIHLKSPC-UHFFFAOYSA-N",23984299,NA,"PDBC49079","764391","Present",NA,NA
+"49080","NSC764392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764392",NA,"C1CN(CCN1C2=CC=CC=N2)C3=NC(=NC(=N3)NCCOCCOCCN)C4=CC=CC=C4","OXZXRWNWTBKQAO-UHFFFAOYSA-N",23844778,NA,"PDBC49080","764392","Present",NA,NA
+"49081","NSC764393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764393",NA,"C1CC(=O)N(C1)CCCNC2=NC(=NC(=N2)CC3=CC=CC=C3)NCCOCCOCCN","SWNOTVHBCZTPON-UHFFFAOYSA-N",24175841,NA,"PDBC49081","764393","Present",NA,NA
+"49082","NSC764405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764405",NA,"COC1=C2C(=O)C=C(OC2=C(C3=C1C=CO3)C=CC=O)C4=CC=CC=C4","UKIUVCAVTNHSMQ-VMPITWQZSA-N",90682754,NA,"PDBC49082","764405","Present",NA,NA
+"49083","NSC764407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764407",NA,"COC1=CC=C(C=C1)C2=CC(=O)C3=C(C4=C(C(=C3O2)C=CC=O)OC=C4)OC","NWWCCNDERPDVLQ-ONEGZZNKSA-N",90682755,NA,"PDBC49083","764407","Present",NA,NA
+"49084","NSC764457",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764457",NA,"C1C(C2=C(C(=NS2)C3=CC=C(C=C3)Cl)NC1=O)C4=CSC=C4","GMNXZKPKGUCKDF-UHFFFAOYSA-N",42647934,NA,"PDBC49084","764457","Present",NA,NA
+"49085","NSC764458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764458",NA,"COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC(=CC=C4)OC","UQSDAQCVCOBHKA-UHFFFAOYSA-N",42648102,NA,"PDBC49085","764458","Present",NA,NA
+"49086","NSC764459",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764459",NA,"COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CSC=C4","XLOUBGPMIJYYDY-UHFFFAOYSA-N",42648106,NA,"PDBC49086","764459","Present",NA,NA
+"49087","NSC764463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764463",NA,"COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC5=C(C=C4)OCCO5","GJRVMCMIGJHXDQ-UHFFFAOYSA-N",46949259,NA,"PDBC49087","764463","Present",NA,NA
+"49088","NSC764530",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764530",NA,"CC1C(=O)C2=C(NC(=N1)C3=CC=C(C=C3)Br)N=C4N2C=CC=C4","ANUMJYAWAGPICH-JTQLQIEISA-N",57381844,NA,"PDBC49088","764530","Present",NA,NA
+"49089","NSC764548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764548",NA,"COC1=CC=C(C=C1)C2=NC(C(=O)NC3=C2SC=C3)CC4=CC=CC=C4","MIZQYZYGYAPIHP-SFHVURJKSA-N",44204066,NA,"PDBC49089","764548","Present",NA,NA
+"49090","NSC764763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764763",NA,NA,NA,NA,NA,"PDBC49090","764763","Present",NA,NA
+"49091","NSC764825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764825",NA,"CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)C","FVVRAXOVEOAPPK-UHFFFAOYSA-N",155806740,NA,"PDBC49091","764825","Present",NA,NA
+"49092","NSC764826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764826",NA,"CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)F","AHPOYWJTQPTVLM-UHFFFAOYSA-N",155808119,NA,"PDBC49092","764826","Present",NA,NA
+"49093","NSC764827",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764827",NA,"CCCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","AFFZPZDRKPVQEQ-UHFFFAOYSA-N",155808118,NA,"PDBC49093","764827","Present",NA,NA
+"49094","NSC764828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764828",NA,"CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)OC","FPWFIIIWULUMPL-UHFFFAOYSA-N",155811295,NA,"PDBC49094","764828","Present",NA,NA
+"49095","NSC764869",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764869",NA,"CC1=C(N2C=CSC2=N1)C3=CSC(=N3)NC4=CC=CC=C4Cl","CJYVGQRPZMLYHX-UHFFFAOYSA-N",1255043,NA,"PDBC49095","764869","Present",NA,NA
+"49096","NSC764879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC764879",NA,"COC1=C(C=CC(=C1)C=CC2=NC(=O)NC(=C2)C(F)(F)F)OCC3=CC=CC=C3F","RUPJKAAUKLCARO-SOFGYWHQSA-N",5730437,NA,"PDBC49096","764879","Present",NA,NA
+"49097","NSC765317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765317",NA,"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=C(C=C(C=C4)Cl)Cl)F)C(=O)O","MIZPLCXIQXTAKP-UHFFFAOYSA-N",56931708,NA,"PDBC49097","765317","Present",NA,NA
+"49098","NSC765319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765319",NA,"C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)S(=O)(=O)C5=CC(=C(C=C5)Cl)Cl)F)C(=O)O","SQSADNHDVFGNNH-UHFFFAOYSA-N",56931849,NA,"PDBC49098","765319","Present",NA,NA
+"49099","NSC765320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765320",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F)C","CNAXZGASHRRRTD-UHFFFAOYSA-N",22277647,NA,"PDBC49099","765320","Present",NA,NA
+"49100","NSC765322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765322",NA,"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)S(=O)(=O)C4=CC=CC5=CC=CC=C54)F)C(=O)O","AMQFSJVGZQZFKI-UHFFFAOYSA-N",56931572,NA,"PDBC49100","765322","Present",NA,NA
+"49101","NSC765339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765339",NA,"C1=NC2=C(C(=O)N1)N=NN2C3C(C(C(O3)CO)O)O","NNCMCLOTZNUFJG-UUOKFMHZSA-N",135492361,NA,"PDBC49101","765339","Present",NA,NA
+"49102","NSC765371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765371",NA,"CC1=CC(=C(C=C1)C)C2=NN(C(C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)S(=O)(=O)NC(=O)NCC5=CC=CC=C5","KIWPEHGELAJDFS-UHFFFAOYSA-N",86276269,NA,"PDBC49102","765371","Present",NA,NA
+"49103","NSC765374",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765374",NA,"CC1=CC(=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)S(=O)(=O)NC(=O)NCC5=CC=CC=C5)C","ZECOBHJVXYFHKU-UHFFFAOYSA-N",86276277,NA,"PDBC49103","765374","Present",NA,NA
+"49104","NSC765376",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765376",NA,"CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(CC(=N2)C3=C(C=CC(=C3)C)C)C4=CC(=C(C(=C4)OC)OC)OC","WVCKLXCKSZPYDM-UHFFFAOYSA-N",86276268,NA,"PDBC49104","765376","Present",NA,NA
+"49105","NSC765378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765378",NA,"CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(CC(=N2)C3=C(C=C(C=C3)C)C)C4=CC=C(C=C4)N(C)C","FKPZJZHWSVZGPH-UHFFFAOYSA-N",86276267,NA,"PDBC49105","765378","Present",NA,NA
+"49106","NSC765405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765405",NA,"CC1(CCC2C(=O)C1(C3=C4C(C2(C)C)C(=O)N(C4=CC=C3)C)[N+]#[C-])C","FTSYTCIXYSIFQL-CQURBHOASA-N",155809937,NA,"PDBC49106","765405","Present",NA,NA
+"49107","NSC765406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765406",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(C)(C(CC(C)C)N)O)C)CC3=CC=C(C=C3)OC)C)CC(C)C)C)C(C)C)O","VBLTYVJENWMRPE-XXVWQQKBSA-N",155813026,NA,"PDBC49107","765406","Present",NA,NA
+"49108","NSC765428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765428",NA,"CC1=NC(C2=C(N1)C(=CC3=CC(=C(C=C3)OC)OC)CCC2)C4=CC(=C(C=C4)OC)OC","WUGNQYFVNYBVMG-QGOAFFKASA-N",155806911,NA,"PDBC49108","765428","Present",NA,NA
+"49109","NSC765610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765610",NA,"CCN(CC1=CC=C(S1)Cl)C2=CC(=C(C=C2)CO)Cl","AUPLXZOLWGDBOW-UHFFFAOYSA-N",155804989,NA,"PDBC49109","765610","Present",NA,NA
+"49110","NSC765611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765611",NA,"CCN(CC1=C(C=C(C=C1)F)F)C2=CC(=C(C=C2)CO)Cl","PZXOAONAGWQQMV-UHFFFAOYSA-N",155811299,NA,"PDBC49110","765611","Present",NA,NA
+"49111","NSC765612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765612",NA,"CCN(CC1=CC(=C(C=C1)F)F)C2=CC(=C(C=C2)CO)Cl","KIMHOTDPINOQSY-UHFFFAOYSA-N",155809896,NA,"PDBC49111","765612","Present",NA,NA
+"49112","NSC765613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765613",NA,"CCN(CC1=CC=CC=N1)C2=CC(=C(C=C2)CO)Cl","NFWZACKJNXTRIV-UHFFFAOYSA-N",108293962,NA,"PDBC49112","765613","Present",NA,NA
+"49113","NSC765614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765614",NA,"CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)C(F)(F)F","QVQHNPGQRSHZIL-UHFFFAOYSA-N",155808121,NA,"PDBC49113","765614","Present",NA,NA
+"49114","NSC765615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765615",NA,"CCN(CC1=CN=CC=C1)C2=CC(=C(C=C2)CO)Cl","ADSVWIDBVMLPLE-UHFFFAOYSA-N",155811296,NA,"PDBC49114","765615","Present",NA,NA
+"49115","NSC765616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765616",NA,"CCN(CC1=CC=NC=C1)C2=CC(=C(C=C2)CO)Cl","UHKMTUSGNSCLPD-UHFFFAOYSA-N",108293770,NA,"PDBC49115","765616","Present",NA,NA
+"49116","NSC765617",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765617",NA,"CCCCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","SWDLIKPUOBEGKU-UHFFFAOYSA-N",155811298,NA,"PDBC49116","765617","Present",NA,NA
+"49117","NSC765618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765618",NA,"C1CC1CN(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","MYXQUZQVUSLLDK-UHFFFAOYSA-N",155811297,NA,"PDBC49117","765618","Present",NA,NA
+"49118","NSC765619",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765619",NA,"COCCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","KFRUSFCNPGBUCB-UHFFFAOYSA-N",155808120,NA,"PDBC49118","765619","Present",NA,NA
+"49119","NSC765662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765662",NA,"CCN(CC1=C(C(=CC=C1)F)F)C2=CC(=C(C=C2)CO)Cl","QBSLTVBXAQTGAH-UHFFFAOYSA-N",155809895,NA,"PDBC49119","765662","Present",NA,NA
+"49120","NSC765663",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765663",NA,"CCN(CC1=C(C=CC(=C1)F)F)C2=CC(=C(C=C2)CO)Cl","PMGJIRVEXVITHE-UHFFFAOYSA-N",155804988,NA,"PDBC49120","765663","Present",NA,NA
+"49121","NSC765664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765664",NA,"CCN(CC)CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","VCDFUHOXLHPLRV-UHFFFAOYSA-N",155806741,NA,"PDBC49121","765664","Present",NA,NA
+"49122","NSC765665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765665",NA,"C1CCN(C1)CCN(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","GFGYQMPZTCDBMD-UHFFFAOYSA-N",155814403,NA,"PDBC49122","765665","Present",NA,NA
+"49123","NSC765666",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765666",NA,"CCN(CC1=C(C=CC=C1F)F)C2=CC(=C(C=C2)CO)Cl","RBFNSLPAYFWGEZ-UHFFFAOYSA-N",155812947,NA,"PDBC49123","765666","Present",NA,NA
+"49124","NSC765667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765667",NA,"CCN(CC1=CC(=CC(=C1)F)F)C2=CC(=C(C=C2)CO)Cl","NFVFQYXTSVUKDH-UHFFFAOYSA-N",155815909,NA,"PDBC49124","765667","Present",NA,NA
+"49125","NSC765668",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765668",NA,"C1CC(C1)CN(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","YXKDUQGGIYYKFV-UHFFFAOYSA-N",155812946,NA,"PDBC49125","765668","Present",NA,NA
+"49126","NSC765669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765669",NA,"C1=CC(=CC=C1CN(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl)F","GDFKTGXODPXDMS-UHFFFAOYSA-N",155814402,NA,"PDBC49126","765669","Present",NA,NA
+"49127","NSC765670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765670",NA,"C1CC(C1)N(CC2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","ARZUJXSEWMMRIU-UHFFFAOYSA-N",155804990,NA,"PDBC49127","765670","Present",NA,NA
+"49128","NSC765671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765671",NA,"CC(C)N(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","DNYTXNWSYLOTJU-UHFFFAOYSA-N",155812945,NA,"PDBC49128","765671","Present",NA,NA
+"49129","NSC765673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765673",NA,"CCCCCCNC(=O)C1=C(OC(=N1)C2=CC=CC=C2)CC3=CC=C(C=C3)OP(=O)(O)O","RPJSTALJIXXUJK-UHFFFAOYSA-N",67387307,NA,"PDBC49129","765673","Present",NA,NA
+"49130","NSC765677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765677",NA,NA,NA,NA,NA,"PDBC49130","765677","Present",NA,NA
+"49131","NSC765699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765699",NA,"C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)C(F)(F)F)C4=NON=C4N","JDOHQJAEXBDMOS-UHFFFAOYSA-N",1149503,NA,"PDBC49131","765699","Present",NA,NA
+"49132","NSC765700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765700",NA,"C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC=CC=C3Cl)C4=NON=C4N","WFXICEVOMNRSBI-UHFFFAOYSA-N",1006981,NA,"PDBC49132","765700","Present",NA,NA
+"49133","NSC765712",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765712",NA,"C1=CC=C(C=C1)C2=CN3C=C(SC3=N2)CC4=C(C(=CC=C4)Cl)Cl","GMQKXARUMWQCPE-UHFFFAOYSA-N",1515323,NA,"PDBC49133","765712","Present",NA,NA
+"49134","NSC765715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765715",NA,"C1=CC=C(C=C1)C2=CN3C=C(SC3=N2)CC4=CC(=CC=C4)Cl","WAJLRZOYVZSWAO-UHFFFAOYSA-N",752059,NA,"PDBC49134","765715","Present",NA,NA
+"49135","NSC765718",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765718",NA,"CC1=NN(C(=C1C2=CC=C(C=C2)Cl)N)C3=NC4=CC=CC=C4N3","UPKMMWQBGWXLHN-UHFFFAOYSA-N",718013,NA,"PDBC49135","765718","Present",NA,NA
+"49136","NSC765722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765722",NA,"C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N)F","KKRITRGZHRKHJY-UHFFFAOYSA-N",753157,NA,"PDBC49136","765722","Present",NA,NA
+"49137","NSC765733",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765733",NA,"CC(=O)C1=NC2=CC=CC=C2N1CCN3CCN(CC3)C","SPTUSWZTCZMESC-UHFFFAOYSA-N",155810080,NA,"PDBC49137","765733","Present",NA,NA
+"49138","NSC765735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765735",NA,"C1=CC=C(C(=C1)C2=CC(=NC(=N2)N)C3=C(C=C(C=C3)Cl)Cl)Cl","ZMWJJRKYMQJYCG-UHFFFAOYSA-N",75359558,NA,"PDBC49138","765735","Present",NA,NA
+"49139","NSC765764",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765764",NA,"CC1=NN(C2=C1C(=C)C3CC4(N2C)CC5(CC4C3(C6=C(N5C)N(N=C6C)C7=CC=C(C=C7)C#CCOC8C(C(C(C(O8)CO)O)O)O)C)C)C9=CC=C(C=C9)C#CCOC1C(C(C(C(O1)CO)O)O)O","WYBNKNOCIIMLOM-NLDXQGRPSA-N",155811360,NA,"PDBC49139","765764","Present",NA,NA
+"49140","NSC765828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765828",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=NN2)C3=CC4=C(C=C3)OCO4)OC","NDQVYEKFEYSRCT-AATRIKPKSA-N",117928401,NA,"PDBC49140","765828","Present",NA,NA
+"49141","NSC765884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765884",NA,"CN1[CH-]N(C=C1)CC2=CN=C(C=C2)C3=CC=CC=N3.CN1[CH-]N(C=C1)CC2=CN=C(C=C2)C3=CC=CC=N3.[Au+3]","CTGRSNRLENPMHX-UHFFFAOYSA-N",155809999,NA,"PDBC49141","765884","Present",NA,NA
+"49142","NSC765885",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC765885",NA,NA,NA,NA,NA,"PDBC49142","765885","Present",NA,NA
+"49143","NSC766053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766053",NA,"COC1=CC=C(C=C1)NC2=NC(=NC(=N2)NCCNC3=C4C=CC(=CC4=NC=C3)Cl)N5CCOCC5","JELWGCYPUDLHJQ-UHFFFAOYSA-N",71598367,NA,"PDBC49143","766053","Present",NA,NA
+"49144","NSC766054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766054",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CC3=CC(=CC(=C3)F)F)C(=O)C(=CC4=CC(=CC(=C4)F)F)C2","VEOCDYGHNCQFKS-UPICDLATSA-N",71721526,NA,"PDBC49144","766054","Present",NA,NA
+"49145","NSC766055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766055",NA,"C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)F)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","SPLGVTDHXBINID-UHFFFAOYSA-N",71598364,NA,"PDBC49145","766055","Present",NA,NA
+"49146","NSC766073",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766073",NA,"CCSC1=NN=C(N1C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)O","OTWVUOMBIOUDPX-UHFFFAOYSA-N",155815983,NA,"PDBC49146","766073","Present",NA,NA
+"49147","NSC766074",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766074",NA,"CCSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C=C3)O","YEVPZYZJQIOHIF-UHFFFAOYSA-N",135981339,NA,"PDBC49147","766074","Present",NA,NA
+"49148","NSC766076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766076",NA,"CC(=O)N1C(OC(=N1)C2=C(C3=CC=CC=C3C=C2)OC(=O)C)C4=C(C=C(C=C4)OC(=O)C)OC(=O)C","LBSUTGBILYEEBF-UHFFFAOYSA-N",155806817,NA,"PDBC49148","766076","Present",NA,NA
+"49149","NSC766121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766121",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)Cl","SPFUMQIYKBQJSC-UHFFFAOYSA-N",71739569,NA,"PDBC49149","766121","Present",NA,NA
+"49150","NSC766122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766122",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","PBHHNPADCVUAJW-UHFFFAOYSA-N",71739571,NA,"PDBC49150","766122","Present",NA,NA
+"49151","NSC766124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766124",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=CC=C5)C(F)(F)F)Cl","KJJFHHZWHXEKEA-UHFFFAOYSA-N",71739707,NA,"PDBC49151","766124","Present",NA,NA
+"49152","NSC766125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766125",NA,"C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)O)C4=CC=NC=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","NCAOISCQJZUYIU-UHFFFAOYSA-N",71739839,NA,"PDBC49152","766125","Present",NA,NA
+"49153","NSC766126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766126",NA,"C1=CC(=CC(=C1)NC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5)C(F)(F)F","HMZVXEPIWCERKW-UHFFFAOYSA-N",71739837,NA,"PDBC49153","766126","Present",NA,NA
+"49154","NSC766129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766129",NA,"C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)N4C=C(C(=N4)C5=CC(=C(C=C5)Cl)O)C6=CC=NC=C6)C(F)(F)F","XGEXNJLMBQAOEX-UHFFFAOYSA-N",71739967,NA,"PDBC49154","766129","Present",NA,NA
+"49155","NSC766130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766130",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC=CC(=C5)C(F)(F)F)Cl","YGSBVQPQFQEYSR-UHFFFAOYSA-N",71739570,NA,"PDBC49155","766130","Present",NA,NA
+"49156","NSC766131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766131",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F)Cl","BMOBWMUJOHKEJL-UHFFFAOYSA-N",71739572,NA,"PDBC49156","766131","Present",NA,NA
+"49157","NSC766132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766132",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC=CC=C5)Cl","NHSFILSFIDLRNH-UHFFFAOYSA-N",71739573,NA,"PDBC49157","766132","Present",NA,NA
+"49158","NSC766133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766133",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)N6CCOCC6)C(F)(F)F)Cl","KDESCVAKXJMELW-UHFFFAOYSA-N",71739709,NA,"PDBC49158","766133","Present",NA,NA
+"49159","NSC766134",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766134",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC(=C(C=C5)Cl)C(F)(F)F)Cl","RAYZPAZGZSNIPK-UHFFFAOYSA-N",71739708,NA,"PDBC49159","766134","Present",NA,NA
+"49160","NSC766135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766135",NA,"C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)O)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","ZOOITGLKRZNSBM-UHFFFAOYSA-N",71739838,NA,"PDBC49160","766135","Present",NA,NA
+"49161","NSC766136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766136",NA,"C1=CC(=CC(=C1)N2C=C(C(=N2)C3=CC(=C(C=C3)Cl)O)C4=CC=NC=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl","QUTMLLZVTGYXRA-UHFFFAOYSA-N",71739836,NA,"PDBC49161","766136","Present",NA,NA
+"49162","NSC766216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766216",NA,"C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1C(=S)NC4=CC=CC=C4","GDDMAHMUOIYBJS-TVGQLCNQSA-N",155806825,NA,"PDBC49162","766216","Present",NA,NA
+"49163","NSC766217",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766217",NA,"C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1CCC#N","HQHZOUOLZGFIHK-MGYAYREDSA-N",155811411,NA,"PDBC49163","766217","Present",NA,NA
+"49164","NSC766218",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766218",NA,"C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1C(=O)C4=CC=CC=C4","HPWIUPDBNAWJNU-BILXGNRESA-N",155813047,NA,"PDBC49164","766218","Present",NA,NA
+"49165","NSC766219",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766219",NA,"CC(=O)N1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","ZJHQDQWSXZNXES-ICFDZUSXSA-N",86582879,NA,"PDBC49165","766219","Present",NA,NA
+"49166","NSC766220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766220",NA,"C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1C(=O)C4=CC=CC=C4","YUEJRKCBKXLZQM-BILXGNRESA-N",155808244,NA,"PDBC49166","766220","Present",NA,NA
+"49167","NSC766221",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766221",NA,"C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1C(=O)C4=CC=CC=C4F","FRJYPPIYRCIWOW-LRVMPXQBSA-N",155809981,NA,"PDBC49167","766221","Present",NA,NA
+"49168","NSC766223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766223",NA,"C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1C(=O)C4=CC=C(C=C4)[N+](=O)[O-]","YYOODNUCWXMAIP-IWXNDQKYSA-N",155815992,NA,"PDBC49168","766223","Present",NA,NA
+"49169","NSC766226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766226",NA,"COC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)OC)C2=O)C(=O)C4=CC=CC=C4F","SZMMGLXYAJPNFV-KBNZVFGVSA-N",155811413,NA,"PDBC49169","766226","Present",NA,NA
+"49170","NSC766227",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766227",NA,"C1C(=CC2=CC=C(C=C2)Br)C(=O)C(=CC3=CC=C(C=C3)Br)CN1C(=O)C4=CC=CC=C4F","MGIPBRSYDUORSY-LRVMPXQBSA-N",155814488,NA,"PDBC49170","766227","Present",NA,NA
+"49171","NSC766228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766228",NA,"C1C(=CC2=CC=C(C=C2)Br)C(=O)C(=CC3=CC=C(C=C3)Br)CN1CCC#N","ILNGZMZOCQKUCW-MGYAYREDSA-N",155811414,NA,"PDBC49171","766228","Present",NA,NA
+"49172","NSC766229",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766229",NA,"COC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)OC)C2=O)CCC#N","RCJZBHXOCVBCHG-TVGQLCNQSA-N",155809984,NA,"PDBC49172","766229","Present",NA,NA
+"49173","NSC766230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766230",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C4=CC=CC=C4F","BXRRWFJXZBOBNU-KBNZVFGVSA-N",155806827,NA,"PDBC49173","766230","Present",NA,NA
+"49174","NSC766231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766231",NA,"CC1=CC=C(C=C1)C(=O)N2CC(=CC3=CC=CC=C3)C(=O)C(=CC4=CC=CC=C4)C2","GTQBPOZSVILDMN-DRPBVWSQSA-N",155809983,NA,"PDBC49174","766231","Present",NA,NA
+"49175","NSC766239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766239",NA,"CCOC(=O)N1CC(=CC2=CC=C(C=C2)OC)C(=O)C(=CC3=CC=C(C=C3)OC)C1","LVBGFKBJTWSYKK-LRVMPXQBSA-N",7947368,NA,"PDBC49175","766239","Present",NA,NA
+"49176","NSC766240",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766240",NA,"CCOC(=O)N1CC(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)C1","JWGWIUNXIDRJCD-MJZABRMRSA-N",155814485,NA,"PDBC49176","766240","Present",NA,NA
+"49177","NSC766241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766241",NA,"CCOC(=O)N1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","UWMZCLXPMAEBMW-MJZABRMRSA-N",2374853,NA,"PDBC49177","766241","Present",NA,NA
+"49178","NSC766243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766243",NA,"CCC(=O)N1CC(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)C1","LWTLJVORPZXCFI-MJZABRMRSA-N",155808243,NA,"PDBC49178","766243","Present",NA,NA
+"49179","NSC766244",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766244",NA,"CCC(=O)N1CC(=CC2=CC=C(C=C2)Br)C(=O)C(=CC3=CC=C(C=C3)Br)C1","DFBZUNQYQDFHPA-MJZABRMRSA-N",155811412,NA,"PDBC49179","766244","Present",NA,NA
+"49180","NSC766245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766245",NA,"CCC(=O)N1CC(=CC2=CC=C(C=C2)OC)C(=O)C(=CC3=CC=C(C=C3)OC)C1","ACXAATZQMKBLOK-LRVMPXQBSA-N",49148243,NA,"PDBC49180","766245","Present",NA,NA
+"49181","NSC766247",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766247",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1CCC#N","RGACXCWHBHTBRS-TVGQLCNQSA-N",155813046,NA,"PDBC49181","766247","Present",NA,NA
+"49182","NSC766257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766257",NA,"CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC=C(C=C2)OC(=O)CCC(=O)C3=C(NC(=C3C)C=C4C(=CC(=N4)C5=CC=CN5)OC)C)C6=CC=CC=C6","UXGLISHWPXWZMO-SQPLXQRVSA-N",136252681,NA,"PDBC49182","766257","Present",NA,NA
+"49183","NSC766258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766258",NA,"CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC=C(C=C2)OC(=O)CCCCC(=O)C3=C(NC(=C3C)C=C4C(=CC(=N4)C5=CC=CN5)OC)C)C6=CC=CC=C6","WTPOMXGOMUGZLF-ICGMOWFVSA-N",136252682,NA,"PDBC49183","766258","Present",NA,NA
+"49184","NSC766259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766259",NA,"CCC(=C(C1=CC=C(C=C1)OCCN(C)C)C2=CC=C(C=C2)OC(=O)CCCCCCCCC(=O)C3=C(NC(=C3C)C=C4C(=CC(=N4)C5=CC=CN5)OC)C)C6=CC=CC=C6","NVHRGSIHAHFMNO-KCUXVLPESA-N",136252685,NA,"PDBC49184","766259","Present",NA,NA
+"49185","NSC766272",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766272",NA,"CC1=CC2=C(C=C1)N=C(N(C2=O)CC3=CC=CC=C3)SCCC(=O)NC4=CC(=C(C(=C4)OC)OC)OC","RPLDKGCGKKOXAN-UHFFFAOYSA-N",155809866,NA,"PDBC49185","766272","Present",NA,NA
+"49186","NSC766289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766289",NA,"CC1(C(=O)NC2=C(O1)C=CC(=N2)NC3=NC(=NC=N3)NC4=CC(=C(C(=C4)OC)OC)OC)C","WAZRETDRHCBWER-UHFFFAOYSA-N",117984493,NA,"PDBC49186","766289","Present",NA,NA
+"49187","NSC766292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766292",NA,"CCC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)F","XZUZJWQEXZVERE-UHFFFAOYSA-N",1505214,NA,"PDBC49187","766292","Present",NA,NA
+"49188","NSC766294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766294",NA,"COC1=CC=CC(=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N","ZTQIQQGRCNJUPF-UHFFFAOYSA-N",1506381,NA,"PDBC49188","766294","Present",NA,NA
+"49189","NSC766298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766298",NA,"CC1=CC(=NC2=C1C(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N)C","YJFQYBYHLJHANF-UHFFFAOYSA-N",1508792,NA,"PDBC49189","766298","Present",NA,NA
+"49190","NSC766350",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766350",NA,"COC1=CC=C(C=C1)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N","AUEPDOJGXYFNKM-UHFFFAOYSA-N",155815988,NA,"PDBC49190","766350","Present",NA,NA
+"49191","NSC766397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766397",NA,"CCN(CCC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","HAZVZBHPOPJKCC-UHFFFAOYSA-N",155812950,NA,"PDBC49191","766397","Present",NA,NA
+"49192","NSC766402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766402",NA,"C1CN(CC2=C1C=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","BIRNZLVBKNNATC-UHFFFAOYSA-N",155809894,NA,"PDBC49192","766402","Present",NA,NA
+"49193","NSC766403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766403",NA,"CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C(=C2)Cl)CO)Cl","NFLVXOJIRFQTJJ-UHFFFAOYSA-N",155809893,NA,"PDBC49193","766403","Present",NA,NA
+"49194","NSC766404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766404",NA,"CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Br","SSTIWWIFORTPAO-UHFFFAOYSA-N",155812949,NA,"PDBC49194","766404","Present",NA,NA
+"49195","NSC766407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766407",NA,"C1CN(CC2=C1C=CC(=C2)F)C3=CC(=C(C=C3)CO)Cl","WVWNUWHOQHSGQL-UHFFFAOYSA-N",155812948,NA,"PDBC49195","766407","Present",NA,NA
+"49196","NSC766408",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766408",NA,"CC(C)N(CC1=C(C=CC=C1F)F)C2=CC(=C(C=C2)CO)Cl","BMXJTDGSEHGPSW-UHFFFAOYSA-N",155806742,NA,"PDBC49196","766408","Present",NA,NA
+"49197","NSC766411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766411",NA,"CC1=CC=C(C=C1)C2=NN3C=CN=C(C3=C2)SCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl","HKNNPGWJKJDXCN-UHFFFAOYSA-N",27509345,NA,"PDBC49197","766411","Present",NA,NA
+"49198","NSC766414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766414",NA,"CC1=CC(=CC(=C1)NC2=CC(=NC3=NC(=NN23)C(F)(F)F)C)C","OINUBRUVZASSAQ-UHFFFAOYSA-N",24219693,NA,"PDBC49198","766414","Present",NA,NA
+"49199","NSC766417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766417",NA,"CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)C=C3C(=O)N(C(=NC4=CC=CC=C4)S3)C5CCCC5","DHRLFEJASBKCIX-YMTQWUKOSA-N",24214228,NA,"PDBC49199","766417","Present",NA,NA
+"49200","NSC766423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766423",NA,"CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CS3)N=C1CN4CCN(CC4)CC5=CC=CC=C5","YWTIYHOQOGEVON-UHFFFAOYSA-N",17236226,NA,"PDBC49200","766423","Present",NA,NA
+"49201","NSC766425",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766425",NA,"C1COCCN1CCCNC2=NC=NC3=C2NC4=C3C=C(C=C4)F","YUNBRHOGRKHXNG-UHFFFAOYSA-N",1945930,NA,"PDBC49201","766425","Present",NA,NA
+"49202","NSC766426",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766426",NA,"CCCCCC(=O)N1C(C2=C(CC(CC2=O)C3=CC(=C(C=C3)OC)OC)NC4=CC=CC=C41)C5=CC=C(C=C5)C(F)(F)F","RSEZBMBZLDGGCL-UHFFFAOYSA-N",4329630,NA,"PDBC49202","766426","Present",NA,NA
+"49203","NSC766428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766428",NA,"CC1=C(C=C(C=C1)NC2=CC(=NC3=NC(=NN23)C(F)(F)F)C)Cl","VLUCXPDTWDLJRX-UHFFFAOYSA-N",8741335,NA,"PDBC49203","766428","Present",NA,NA
+"49204","NSC766431",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766431",NA,"CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=CC4=C(N3)C5=C(C=CC=N5)C=C4","ILMGWMKPCOEJRH-UHFFFAOYSA-N",20925640,NA,"PDBC49204","766431","Present",NA,NA
+"49205","NSC766434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766434",NA,"CC1=C(N=C(S1)NC(=O)CS(=O)(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)OC","IZBVFEBRVULVNU-UHFFFAOYSA-N",16799558,NA,"PDBC49205","766434","Present",NA,NA
+"49206","NSC766435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766435",NA,"CC1=CC=C(C=C1)C2=C(C3(C4C(C2(C3=O)C5=CC=CC=C5)C(=O)N(C4=O)C6=C(C=CC(=C6)C(=O)C)OC)C7=CC=CC=C7)C8=CC=C(C=C8)C","VMGRDSCIXPOFON-UHFFFAOYSA-N",3269624,NA,"PDBC49206","766435","Present",NA,NA
+"49207","NSC766437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766437",NA,"CNCCCNC1=C2C=CC(=CC2=NC=C1)Cl","DSQFFQFYQVGMPS-UHFFFAOYSA-N",6472985,NA,"PDBC49207","766437","Present",NA,NA
+"49208","NSC766440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766440",NA,"CC1=C(C(=CC=C1)C)N=C2C3(CCC(CC3)C(C)(C)C)N(C(=N2)SC)C4=CC=C(C=C4)Cl","VCVMLWDTGJJHIX-UHFFFAOYSA-N",3499680,NA,"PDBC49208","766440","Present",NA,NA
+"49209","NSC766457",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766457",NA,"COC1=CC2=C(C=CN=C2C=C1)C(C3CC4(CCN3CC4)C=C)O","FNBBFRCDCVFRON-UHFFFAOYSA-N",8548,NA,"PDBC49209","766457","Present",NA,NA
+"49210","NSC766463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766463",NA,"CC1=CC(=NO1)NC(=O)C2C(N(C(=O)C3=CC=CC=C23)CC(C)C)C4=CC=CS4","YCGDUUJJIKNHJN-UHFFFAOYSA-N",22549211,NA,"PDBC49210","766463","Present",NA,NA
+"49211","NSC766468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766468",NA,"CCCC1=CC(=C2C3=C(CN(CC3)C)C(=O)OC2=C1)O","JYZGRMRMVUUYHG-UHFFFAOYSA-N",5440108,NA,"PDBC49211","766468","Present",NA,NA
+"49212","NSC766470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766470",NA,"COC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)CC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)OC","UAHNYHPLYYIAEP-UHFFFAOYSA-N",17325420,NA,"PDBC49212","766470","Present",NA,NA
+"49213","NSC766478",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766478",NA,"CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCCO)C","RHZLKBRFIAZMTN-UHFFFAOYSA-N",2226126,NA,"PDBC49213","766478","Present",NA,NA
+"49214","NSC766487",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766487",NA,"CCOC1=C(C=C(C=C1)C2=NON=C2NC(=O)C3=CC=CC(=C3)C)OCC","OAAGWQPTMMCQCB-UHFFFAOYSA-N",16437129,NA,"PDBC49214","766487","Present",NA,NA
+"49215","NSC766491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766491",NA,"CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl","CCICOXSOKKGTBB-UHFFFAOYSA-N",1132057,NA,"PDBC49215","766491","Present",NA,NA
+"49216","NSC766494",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766494",NA,"CCCCC1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C4C(=C2)CCN4C(=O)CC3","GDEYSCBSQAECPV-UHFFFAOYSA-N",7161317,NA,"PDBC49216","766494","Present",NA,NA
+"49217","NSC766495",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766495",NA,"C1CN(CCN1C2=NN3C=NN=C3C=C2)C(=O)NC4=CC=C(C=C4)Cl","ZDXWENNHTOBFEW-UHFFFAOYSA-N",40504628,NA,"PDBC49217","766495","Present",NA,NA
+"49218","NSC766499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766499",NA,"C1CN(CCC1NCC2=CC(=CC=C2)C(F)(F)F)CCC3=CC=CC=C3","DFOQWCGMBXUJKJ-UHFFFAOYSA-N",26458299,NA,"PDBC49218","766499","Present",NA,NA
+"49219","NSC766511",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766511",NA,"C1CC(C1)(CN2CCC(CC2)NC(=O)CCC3=CC=CO3)C4=CC=C(C=C4)Cl","SQSMBCLFXHSESJ-UHFFFAOYSA-N",44522210,NA,"PDBC49219","766511","Present",NA,NA
+"49220","NSC766513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766513",NA,"C1CN(CCC1C(=O)NCC2=CC=CO2)S(=O)(=O)C3=CC=C(C=C3)Cl","LETUQHBGUBCUTE-UHFFFAOYSA-N",1042562,NA,"PDBC49220","766513","Present",NA,NA
+"49221","NSC766523",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766523",NA,"CCN1CCN(CC1)C2=NC3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)OC)OC)C(=C2)C","YGHVMEYBSUHIGF-UHFFFAOYSA-N",9550693,NA,"PDBC49221","766523","Present",NA,NA
+"49222","NSC766525",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766525",NA,"C1=CC=C(C=C1)C2=NC3=C(C=CC=N3)C(=N2)NC4=CC=CC(=C4)C(F)(F)F","UYDBKTHSWIROFS-UHFFFAOYSA-N",1214451,NA,"PDBC49222","766525","Present",NA,NA
+"49223","NSC766527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766527",NA,"C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)OC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4O)O","ARMUMDQSBHKWPS-UHFFFAOYSA-N",1230978,NA,"PDBC49223","766527","Present",NA,NA
+"49224","NSC766532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766532",NA,"CC(CCC(=C)C)N1CCC(CC1)N2CCC(CC2)C(=O)NCCC3=CC=CC=C3","YOPKSOBTIYZVAH-UHFFFAOYSA-N",45210433,NA,"PDBC49224","766532","Present",NA,NA
+"49225","NSC766538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766538",NA,"CN(CC1CCN(CC1)CCC2=CC=C(C=C2)OC)CC3=CN(N=C3)C4=CC=CC=C4","JKRALBAWWDRRPL-UHFFFAOYSA-N",26325235,NA,"PDBC49225","766538","Present",NA,NA
+"49226","NSC766544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766544",NA,"CN1C2=C(C=C(S2)C(=O)NCCN3CCN(CC3)C4=CC=CC=C4F)C(=N1)C5=CC(=CC=C5)OC","LCUDPYILJFKBKX-UHFFFAOYSA-N",20856297,NA,"PDBC49226","766544","Present",NA,NA
+"49227","NSC766546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766546",NA,"CCOC1=C(C=C(C(=C1)C(C)NC(=O)C2=CC(=CC=C2)OC)Cl)OCC","ZWACZQHGJUMQPG-UHFFFAOYSA-N",4139926,NA,"PDBC49227","766546","Present",NA,NA
+"49228","NSC766547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766547",NA,"CCOC1=C(C=C(C=C1Cl)CNC(C)C(C2=CC=CC=C2)O)OC","XSOXWLLLSNOJGJ-UHFFFAOYSA-N",2979608,NA,"PDBC49228","766547","Present",NA,NA
+"49229","NSC766548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766548",NA,"CC1=CC=C(O1)CN2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=CC5=CC=CC=C5N4","OBJNNBMWUAKVOJ-UHFFFAOYSA-N",25459838,NA,"PDBC49229","766548","Present",NA,NA
+"49230","NSC766550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766550",NA,"CCCC(C1=NN=NN1C2CCCCC2)N3CCN(CC3)C(=O)C4=CC=CO4","CMDUPELKYFELQB-UHFFFAOYSA-N",3208538,NA,"PDBC49230","766550","Present",NA,NA
+"49231","NSC766552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766552",NA,"CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=CC=C3OC)C4=CC=CS4","DRTXUXSSVIINLL-UHFFFAOYSA-N",22549224,NA,"PDBC49231","766552","Present",NA,NA
+"49232","NSC766556",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766556",NA,"CCOC1=C(C=C(C(=C1)C(C)NC(=O)C2=CC(=CC=C2)OC)Br)OCC","IPXGOPWZGKLOMJ-UHFFFAOYSA-N",3491998,NA,"PDBC49232","766556","Present",NA,NA
+"49233","NSC766557",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766557",NA,"CC1=CC(=C(C=C1)C2=NNC(=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4CCCCC4)O","GIQLSYUQGQPQSU-UHFFFAOYSA-N",1954158,NA,"PDBC49233","766557","Present",NA,NA
+"49234","NSC766563",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766563",NA,"CC(C)OCC1=C2C=CC=NC2=C(C(=C1)CN3CCN(CC3)C4=CC(=CC=C4)Cl)O","IENYQAIEIIEHTE-UHFFFAOYSA-N",23604751,NA,"PDBC49234","766563","Present",NA,NA
+"49235","NSC766564",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766564",NA,"CCCN(CCC)CCCNC(=O)C1=CC2=C(S1)N(N=C2C3=CC(=C(C=C3)OC)OC)C","LEJZVWKPAYYUCZ-UHFFFAOYSA-N",16020383,NA,"PDBC49235","766564","Present",NA,NA
+"49236","NSC766565",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766565",NA,"CCN(CC)CCN1C2=CC=CC=C2N(C1=N)CC(C3=CC(=C(C=C3)Cl)Cl)O","YTILIDHNOSRDBJ-UHFFFAOYSA-N",3130812,NA,"PDBC49236","766565","Present",NA,NA
+"49237","NSC766580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766580",NA,"COCCNCC(CN1C2=C(C=C(C=C2)Cl)C3=C1C=CC(=C3)Cl)O","DSIQFIHYYDCOLI-UHFFFAOYSA-N",2920941,NA,"PDBC49237","766580","Present",NA,NA
+"49238","NSC766584",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766584",NA,"C1CCC(C1)NCC(CN2C3=CC=CC=C3C4=CC=CC=C42)O","UIWHEXAVANZGHK-UHFFFAOYSA-N",2942140,NA,"PDBC49238","766584","Present",NA,NA
+"49239","NSC766585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766585",NA,"C1CN(CCC1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CC=NC=C4)CC5=CC=CC=C5","HGNKPMCVRMVSIK-UHFFFAOYSA-N",17375211,NA,"PDBC49239","766585","Present",NA,NA
+"49240","NSC766586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766586",NA,"C1CNCCC1CNCC2=CC=C(O2)C3=C(C=C(C=C3)Br)Cl","VFFXYVJKHGENTG-UHFFFAOYSA-N",16004286,NA,"PDBC49240","766586","Present",NA,NA
+"49241","NSC766590",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766590",NA,"CCC1=CC=C(C=C1)NC2=CC(=NC3=NC(=NN23)C)C","WAUKSVKCFIGKGN-UHFFFAOYSA-N",5308471,NA,"PDBC49241","766590","Present",NA,NA
+"49242","NSC766600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766600",NA,"C1CC(OC1)CNCC(CN2C3=C(C=C(C=C3)Cl)C4=C2C=CC(=C4)Cl)O","VWROENVTHCVTHF-UHFFFAOYSA-N",3129553,NA,"PDBC49242","766600","Present",NA,NA
+"49243","NSC766601",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766601",NA,"CCN1C2=NC(=O)N(C(=O)C2=NC(=N1)C3=CC=C(C=C3)C(=O)OC)C","MFSAGTMHCKNNCQ-UHFFFAOYSA-N",3164076,NA,"PDBC49243","766601","Present",NA,NA
+"49244","NSC766608",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766608",NA,"CCC(C1=C(C=C(C=C1)Br)NC(=O)C2=CC(=CC=C2)Cl)O","CUWSCNYUVZAUCL-UHFFFAOYSA-N",5304895,NA,"PDBC49244","766608","Present",NA,NA
+"49245","NSC766609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766609",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC=CO5","WFJMXMMPYVXLFE-UHFFFAOYSA-N",2192323,NA,"PDBC49245","766609","Present",NA,NA
+"49246","NSC766612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766612",NA,"COC1=CC=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4","GFDLOQVUVBBATG-UHFFFAOYSA-N",1330474,NA,"PDBC49246","766612","Present",NA,NA
+"49247","NSC766613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766613",NA,"CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC(=CC=C3)F","CTOCGJNJJGMVFB-UHFFFAOYSA-N",697239,NA,"PDBC49247","766613","Present",NA,NA
+"49248","NSC766615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766615",NA,"C1CN(CCC1NC(=O)C2=CC(=NC3=C2C=C(C=C3)Cl)C4=CN=CC=C4)CC5=CC=CC=C5","UVUCEFFMTRFLDP-UHFFFAOYSA-N",17373844,NA,"PDBC49248","766615","Present",NA,NA
+"49249","NSC766624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766624",NA,"C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl","XWBCKKPYRUUVQU-UHFFFAOYSA-N",2043476,NA,"PDBC49249","766624","Present",NA,NA
+"49250","NSC766626",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766626",NA,"CC1=C(SC2=C1C(=NC=N2)SC3=NC4=CC=CC=C4N3)C","NWDJYAXDXGNJBH-UHFFFAOYSA-N",934186,NA,"PDBC49250","766626","Present",NA,NA
+"49251","NSC766628",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766628",NA,"CC1CCCCC1NCC(CN2C(=C(C3=CC=CC=C32)C)C)O","GDDCYANZONIPGV-UHFFFAOYSA-N",4109525,NA,"PDBC49251","766628","Present",NA,NA
+"49252","NSC766633",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766633",NA,"CN(C)CCNC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3","QWAVSGXBYFASKZ-UHFFFAOYSA-N",453048,NA,"PDBC49252","766633","Present",NA,NA
+"49253","NSC766634",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766634",NA,"C1CN(CCN1CC2=CC(=C3C=CC=NC3=C2O)Br)C4=CC=CC=C4F","VNMWKWVDDVPSBF-UHFFFAOYSA-N",1507416,NA,"PDBC49253","766634","Present",NA,NA
+"49254","NSC766643",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766643",NA,"CN(C)CCCNCC1=CC=C(O1)C2=CC(=C(C=C2)F)Cl","YIQFCULBVMFGTR-UHFFFAOYSA-N",4724577,NA,"PDBC49254","766643","Present",NA,NA
+"49255","NSC766644",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766644",NA,"CCC(=O)NC1=NN=C(S1)CC2=CC(=C(C=C2)OC)OC","QIFXARBSCYEPAY-UHFFFAOYSA-N",1091318,NA,"PDBC49255","766644","Present",NA,NA
+"49256","NSC766655",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766655",NA,"CCCCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC(=C3)C)O","WJZWXNNJEAGCKQ-UHFFFAOYSA-N",22332109,NA,"PDBC49256","766655","Present",NA,NA
+"49257","NSC766656",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766656",NA,"CCOC(=O)C1=CN=C2C=CC(=CC2=C1NCCCN(C)C)Cl","KMUSVINZSCTMHQ-UHFFFAOYSA-N",1643514,NA,"PDBC49257","766656","Present",NA,NA
+"49258","NSC766660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766660",NA,"C1=CC=C2C(=C1)C3=NN=C(C=C3C2=O)C4=CC=C(C=C4)Br","QHYRELLXJDJBHO-UHFFFAOYSA-N",2767328,NA,"PDBC49258","766660","Present",NA,NA
+"49259","NSC766661",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766661",NA,"CC1=C(C(=O)C2=CC=CC=C2N1)CC=C(Cl)Cl","JNLBPEFJUBUZMX-UHFFFAOYSA-N",826140,NA,"PDBC49259","766661","Present",NA,NA
+"49260","NSC766664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766664",NA,"C1CCN(CC1)C2CCN(CC2)CCCNC(=O)C3=CC4=C(C=CC(=C4)Br)OC3","SNLLGJBMDQWSKR-UHFFFAOYSA-N",22578577,NA,"PDBC49260","766664","Present",NA,NA
+"49261","NSC766668",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766668",NA,"CCCCCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC(=C3)C)O","FZFXKVXUQPPZJU-UHFFFAOYSA-N",3774203,NA,"PDBC49261","766668","Present",NA,NA
+"49262","NSC766671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766671",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C(=NN2C)C3=CC=CC=C3)COC(=O)C4=CC=CC(=C4)C","RGXXAMTXVCJIHY-UHFFFAOYSA-N",3814649,NA,"PDBC49262","766671","Present",NA,NA
+"49263","NSC766674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766674",NA,"CC1=C2C(=C(C=C1)OC)N=C(S2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)C#N","SSIMQXGQNYOUGF-UHFFFAOYSA-N",40481904,NA,"PDBC49263","766674","Present",NA,NA
+"49264","NSC766676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766676",NA,"CCCCC(C1=CC=C(C=C1)Cl)(C(CN2CCOCC2)C3=CC=C(C=C3)Cl)O","BDFXCUHFXTXXJL-UHFFFAOYSA-N",23606867,NA,"PDBC49264","766676","Present",NA,NA
+"49265","NSC766678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766678",NA,"CC(C)CCNCC(CN1C2=CC=CC=C2C3=CC=CC=C31)O","RILRKUIAPLEMSF-UHFFFAOYSA-N",3753557,NA,"PDBC49265","766678","Present",NA,NA
+"49266","NSC766679",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766679",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NC3=CC=CC(=C3)C(F)(F)F)NC4=CC=CC(=C4)C(F)(F)F","FOQJAGNDQYWIRF-UHFFFAOYSA-N",468692,NA,"PDBC49266","766679","Present",NA,NA
+"49267","NSC766681",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766681",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]","TZGKWYPKVUZODV-UHFFFAOYSA-N",1486593,NA,"PDBC49267","766681","Present",NA,NA
+"49268","NSC766685",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766685",NA,"COC1=CC=C(C=C1)C2=CC(=O)OC3=C2C=CC4=C3CN(CO4)CC5=CC=C(C=C5)F","PXYOGWFHUSGTGE-UHFFFAOYSA-N",1777249,NA,"PDBC49268","766685","Present",NA,NA
+"49269","NSC766689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766689",NA,"C1CN(CCC1NC2=CC(=O)OC3=C2C=C(C=C3)Cl)CCCC4=CC=CC=C4","DBVHRKVRLJTZND-UHFFFAOYSA-N",11837127,NA,"PDBC49269","766689","Present",NA,NA
+"49270","NSC766690",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766690",NA,"CCOC(=O)C1=C(C2=CC=CC(=C2N=C1)C)NC3=CC=C(C=C3)C(=O)C","INBPMTNLYMLYAC-UHFFFAOYSA-N",705510,NA,"PDBC49270","766690","Present",NA,NA
+"49271","NSC766692",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766692",NA,"CC1=CC=C(C=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC(=O)C4=CC(=CC=C4)OC","DYRXAXDGAQMJDP-UHFFFAOYSA-N",2897031,NA,"PDBC49271","766692","Present",NA,NA
+"49272","NSC766693",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766693",NA,"CCOC1=CC2=C(C=C1)OCN(C2)CC3=CC=C(C=C3)Cl","RRQWNGSEMNJXDW-UHFFFAOYSA-N",945743,NA,"PDBC49272","766693","Present",NA,NA
+"49273","NSC766694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766694",NA,"CCOC(=O)C1=C(N=C2N(C1C3=CC=C(C4=CC=CC=C34)OC)C(=O)C(=CC5=CC=CC=C5O)S2)C","HURFFFRCSHQNDT-HAHDFKILSA-N",5975764,NA,"PDBC49273","766694","Present",NA,NA
+"49274","NSC766704",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766704",NA,"COC1=C(C=C(C=C1)C2C3=C(CCN2)C4=CC=CC=C4N3)CN5CCN(CC5)C6=CC=C(C=C6)F","SUVBDWQXLWTGRI-UHFFFAOYSA-N",2900551,NA,"PDBC49274","766704","Present",NA,NA
+"49275","NSC766705",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766705",NA,"CCCCCCC(C1=CC=C(C=C1)F)(C(CN2CCOCC2)C3=CC=CC=C3)O","USSCYZYKABYKAR-UHFFFAOYSA-N",23606963,NA,"PDBC49275","766705","Present",NA,NA
+"49276","NSC766707",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766707",NA,"C1=CC=C2C=C3C(=CC2=C1)NC(=N3)C4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)Br","DALJFINQIRVMMQ-UHFFFAOYSA-N",1331204,NA,"PDBC49276","766707","Present",NA,NA
+"49277","NSC766716",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766716",NA,"CCOC1=C(C=C(C=C1Br)C2C(=CN(C=C2C(=O)OC)C)C(=O)OC)OC","GHWXGIMICMXCPZ-UHFFFAOYSA-N",1531863,NA,"PDBC49277","766716","Present",NA,NA
+"49278","NSC766722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766722",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=NC3=CC=CC=C3C)O2)C4=NC5=CC=CC=C5N4)O","DGBJSVJYBSICRH-UHFFFAOYSA-N",135543311,NA,"PDBC49278","766722","Present",NA,NA
+"49279","NSC766732",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766732",NA,"COC1=C(C=C(C=C1)C2C3=C(C4=CC=CC=C4C=C3)OC5=C2C(=N)N(C=N5)CCCN6C=CN=C6)OC","CRBJTYVJVJERPH-UHFFFAOYSA-N",3559623,NA,"PDBC49279","766732","Present",NA,NA
+"49280","NSC766734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766734",NA,"C1CN(CCC1NC(=O)C2=CC(=CC(=C2)C(=O)NC3CCN(CC3)CC4=CC=CC=C4)C(=O)NC5CCN(CC5)CC6=CC=CC=C6)CC7=CC=CC=C7","WJUOPSPFQSXVSK-UHFFFAOYSA-N",5051873,NA,"PDBC49280","766734","Present",NA,NA
+"49281","NSC766744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766744",NA,"CC1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC4=C3OC(=O)C=C4C)C","AMDACVCCXDZOTC-UHFFFAOYSA-N",933766,NA,"PDBC49281","766744","Present",NA,NA
+"49282","NSC766746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766746",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C=CC4=CC=CC=C4)O","HGBMOUZLBAYJRN-OUKQBFOZSA-N",5886892,NA,"PDBC49282","766746","Present",NA,NA
+"49283","NSC766749",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766749",NA,"CN1C2=C(C=C(C=C2)CNCCNC3=C4C=CC(=CC4=NC=C3)Cl)N(C1=O)C","NPWXHTXMBIOHKI-UHFFFAOYSA-N",6501965,NA,"PDBC49283","766749","Present",NA,NA
+"49284","NSC766751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766751",NA,"CCOC1=C(C=C(C=C1Br)C2C(=CN(C=C2C(=O)OCC)C)C(=O)OCC)OC","FBKIPJLWVIZHGV-UHFFFAOYSA-N",5158191,NA,"PDBC49284","766751","Present",NA,NA
+"49285","NSC766755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766755",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)NC(=O)C4=CC=C(C=C4)Cl)NC(=O)C5=CC=C(C=C5)Cl","WLBJJWICAOVTHR-UHFFFAOYSA-N",493035,NA,"PDBC49285","766755","Present",NA,NA
+"49286","NSC766761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766761",NA,"C1CN(CCC1NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=C(S4)Cl)C(F)(F)F)CC5=CC=CC=C5","BOJAXOHWYZMMKZ-UHFFFAOYSA-N",1000261,NA,"PDBC49286","766761","Present",NA,NA
+"49287","NSC766764",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766764",NA,"C1=CC=C(C=C1)C2=C(N=C(N2)C3=CC=C(C=C3)O)C4=CC5=C(C=C4)OC6=C5C=C(C=C6)C7=C(N=C(N7)C8=CC=C(C=C8)O)C9=CC=CC=C9","LFPPEIQRWSPQQB-UHFFFAOYSA-N",135403990,NA,"PDBC49287","766764","Present",NA,NA
+"49288","NSC766765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766765",NA,"CC(C)(C)C1=CC=C(C=C1)C2CC3=C(C(N(C4=CC=CC=C4N3)C(=O)C5=CC=CC=C5Cl)C6=CC=C(C=C6)F)C(=O)C2","HIDBFCAYHFMHLE-UHFFFAOYSA-N",3454585,NA,"PDBC49288","766765","Present",NA,NA
+"49289","NSC766767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766767",NA,"C1CN(CCN1CC2=CC=C(C=C2)Cl)CC3=C(C=CC(=C3)Br)O","UDBUKNAECQQGSK-UHFFFAOYSA-N",2887065,NA,"PDBC49289","766767","Present",NA,NA
+"49290","NSC766772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766772",NA,"COC1=CC=C(C=C1)C2=NC(=C3C4=C(CCCC4)SC3=N2)N5CCN(CC5)C(=O)C6CCCCC6","CLJWLZOKIOKORQ-UHFFFAOYSA-N",1434951,NA,"PDBC49290","766772","Present",NA,NA
+"49291","NSC766775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766775",NA,"CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC3=CC(=C(C=C3)C)C","APCPGRSHWZYJEA-UHFFFAOYSA-N",691643,NA,"PDBC49291","766775","Present",NA,NA
+"49292","NSC766777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766777",NA,"COC1=CC(=CC(=C1O)OC)C2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4","GWQSXPMDIQADHQ-UHFFFAOYSA-N",1355348,NA,"PDBC49292","766777","Present",NA,NA
+"49293","NSC766779",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766779",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3","AIDJWZIOMBFHID-UHFFFAOYSA-N",1104079,NA,"PDBC49293","766779","Present",NA,NA
+"49294","NSC766780",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766780",NA,"CCCCNC1=NC(=NC(=N1)NC(C)(C)C)NC(C)(C)C","MNGKSEZZXHVVJO-UHFFFAOYSA-N",4400747,NA,"PDBC49294","766780","Present",NA,NA
+"49295","NSC766781",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766781",NA,"C1=CC=C(C=C1)OC2=CC=CC(=C2)C(C3=C(C4=C(C=CC=N4)C=C3)O)NC5=CC=CC=N5","WJNJQDQWGRQWCD-UHFFFAOYSA-N",2923731,NA,"PDBC49295","766781","Present",NA,NA
+"49296","NSC766785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766785",NA,"CCOC1=CC=C(C=C1)N2C(=NC(=NC2(C)C)N)N","VLQRTOJDGFJEIE-UHFFFAOYSA-N",409219,NA,"PDBC49296","766785","Present",NA,NA
+"49297","NSC766787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766787",NA,"CC1=CC(=NC(=N1)NCC2=CC=CC=C2)NC3=CC=C(C=C3)OC","SSTCHTLFFVJUGP-UHFFFAOYSA-N",807557,NA,"PDBC49297","766787","Present",NA,NA
+"49298","NSC766788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766788",NA,"C1=CC2=C3C(=CC=C4C3=C1C(=O)N(C4=O)CCCCO)C(=O)N(C2=O)CCCCO","XZBVMYTVRGGDKI-UHFFFAOYSA-N",3130863,NA,"PDBC49298","766788","Present",NA,NA
+"49299","NSC766794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766794",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)ON=C(CC2=CC=CC3=CC=CC=C32)N","ADZFTCMTEDATTQ-UHFFFAOYSA-N",9587029,NA,"PDBC49299","766794","Present",NA,NA
+"49300","NSC766807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766807",NA,"CN1C2=CC=CC=C2N=C1C(=O)C3=CC=CC4=CC=CC=C43","IRYFDSQLAQPRJR-UHFFFAOYSA-N",4411107,NA,"PDBC49300","766807","Present",NA,NA
+"49301","NSC766809",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766809",NA,"C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=C(C=C3)Cl)Cl)NCCO","ZGMMVVYGDFQTBB-UHFFFAOYSA-N",2229100,NA,"PDBC49301","766809","Present",NA,NA
+"49302","NSC766871",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766871",NA,"C1=CC=C(C(=C1)C(=O)O)NC2=NN3C(=NN=C3C4=CC=NC=C4)C=C2","UQMVANVETJQCDL-UHFFFAOYSA-N",155811419,NA,"PDBC49302","766871","Present",NA,NA
+"49303","NSC766875",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766875",NA,"C1=CC=C(C(=C1)C(=O)N)NC2=NN3C(=NN=C3C4=CC=NC=C4)C=C2","DJVFNGMLLDMCFG-UHFFFAOYSA-N",155806829,NA,"PDBC49303","766875","Present",NA,NA
+"49304","NSC767157",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767157",NA,"COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","XSUBNQQKENMWAB-UBFVSLLYSA-N",155810003,NA,"PDBC49304","767157","Present",NA,NA
+"49305","NSC767158",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767158",NA,"COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","XSUBNQQKENMWAB-SDHSZQHLSA-N",155806838,NA,"PDBC49305","767158","Present",NA,NA
+"49306","NSC767160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767160",NA,"COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","XSUBNQQKENMWAB-DSITVLBTSA-N",155816004,NA,"PDBC49306","767160","Present",NA,NA
+"49307","NSC767161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767161",NA,"COC(=O)C1CCCN1C(=O)C2CCCN2C(=O)C(CC3=CNC4=CC=CC=C43)NC(=S)NC5=CC(=CC(=C5)C(F)(F)F)C(F)(F)F","XSUBNQQKENMWAB-ISJGIBHGSA-N",155814499,NA,"PDBC49307","767161","Present",NA,NA
+"49308","NSC767171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767171",NA,"C1=CC=NC(=C1)C=CC(=O)C2=CC=C(C=C2)OCC3=NN=C(O3)C4=CC=C(C=C4)Cl","BQIFDOUVUPGRNN-JLHYYAGUSA-N",155805083,NA,"PDBC49308","767171","Present",NA,NA
+"49309","NSC767174",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767174",NA,"COC1=CC=C(C=C1)C2=NN=C(O2)COC3=CC=C(C=C3)C(=O)C=CC4=CC=CO4","SZPVPTKYRDYTBR-OUKQBFOZSA-N",155806841,NA,"PDBC49309","767174","Present",NA,NA
+"49310","NSC767178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767178",NA,"CCCOC(=O)C1=CC2=C(C=C1)[N+](=O)C(=C([N+]2=O)C(=O)C3=CC=CC=C3)C(F)(F)F","ULTKOGPWZAAGBP-UHFFFAOYSA-N",155813068,NA,"PDBC49310","767178","Present",NA,NA
+"49311","NSC767190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767190",NA,"C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)NC3O)C4=CNC5=CC=CC=C54","MTKKHFBXXUZIDC-UHFFFAOYSA-N",5327651,NA,"PDBC49311","767190","Present",NA,NA
+"49312","NSC767191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767191",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","DWLMLPCWSGBXMZ-UHFFFAOYSA-N",5327655,NA,"PDBC49312","767191","Present",NA,NA
+"49313","NSC767192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767192",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=CC5=CC=CC=C54","STTILKKNKXMNIF-UHFFFAOYSA-N",5327661,NA,"PDBC49313","767192","Present",NA,NA
+"49314","NSC767193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767193",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC5=CC=CC=C5C=C4","URVKCDCCZPNJLS-UHFFFAOYSA-N",5327662,NA,"PDBC49314","767193","Present",NA,NA
+"49315","NSC767194",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767194",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=C(C=C4)OC","DQHWNUCJVPQFGP-UHFFFAOYSA-N",5327702,NA,"PDBC49315","767194","Present",NA,NA
+"49316","NSC767195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767195",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)OC)C","JSVMZIMMLIKDPH-UHFFFAOYSA-N",5327685,NA,"PDBC49316","767195","Present",NA,NA
+"49317","NSC767196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767196",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CSC=C4","QSWVIVJBWVSRRV-UHFFFAOYSA-N",5327667,NA,"PDBC49317","767196","Present",NA,NA
+"49318","NSC767197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767197",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(N(C5=CC=CC=C54)C)SC","BPYHLGZHYHZOOK-UHFFFAOYSA-N",5327699,NA,"PDBC49318","767197","Present",NA,NA
+"49319","NSC767198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767198",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCO","DIBQJDJFXJGVJC-UHFFFAOYSA-N",5327930,NA,"PDBC49319","767198","Present",NA,NA
+"49320","NSC767199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767199",NA,"CN1C=C(C2=C1C=CC(=C2)N)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","LSAVPOITAZCHEO-UHFFFAOYSA-N",5327672,NA,"PDBC49320","767199","Present",NA,NA
+"49321","NSC767200",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767200",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=C(C=C4)N","QYDVONWRHPRJQY-UHFFFAOYSA-N",5327705,NA,"PDBC49321","767200","Present",NA,NA
+"49322","NSC767201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767201",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCO","FUVJGBQDHCCGCD-UHFFFAOYSA-N",5327929,NA,"PDBC49322","767201","Present",NA,NA
+"49323","NSC767202",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767202",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(N(C5=CC=CC=C54)C)S(=O)C","BEWICDRUAXGGBV-UHFFFAOYSA-N",5327700,NA,"PDBC49323","767202","Present",NA,NA
+"49324","NSC767203",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767203",NA,"CC(=O)NC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C)C","IODCGJGLMDWAMV-UHFFFAOYSA-N",5327682,NA,"PDBC49324","767203","Present",NA,NA
+"49325","NSC767204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767204",NA,"CN1C=C(C2=C1C=CC(=C2)OCC3=CC=CC=C3)C4=C(C(=O)NC4=O)C5=CN(C6=CC=CC=C65)C","VVOIKNNKVBSZJQ-UHFFFAOYSA-N",5327675,NA,"PDBC49325","767204","Present",NA,NA
+"49326","NSC767205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767205",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC=C5[N+](=O)[O-])C","SAIYYNBLXZAZSN-UHFFFAOYSA-N",5327693,NA,"PDBC49326","767205","Present",NA,NA
+"49327","NSC767206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767206",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)N","RGTAEYDIDMGJLX-UHFFFAOYSA-N",5327711,NA,"PDBC49327","767206","Present",NA,NA
+"49328","NSC767207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767207",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)[N+](=O)[O-]","LQYAEVHUTDICIN-UHFFFAOYSA-N",5327712,NA,"PDBC49328","767207","Present",NA,NA
+"49329","NSC767209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767209",NA,"C1=CC=C2C(=C1)C(=CN2)C3C(C(=O)NC3=O)C4=CNC5=CC=CC=C54","QBMMMCZNMCDPBJ-ROUUACIJSA-N",5327649,NA,"PDBC49329","767209","Present",NA,NA
+"49330","NSC767210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767210",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)Cl","WDKNOTYYBBUUEH-UHFFFAOYSA-N",5327707,NA,"PDBC49330","767210","Present",NA,NA
+"49331","NSC767211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767211",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC=C5N)C","NCELDRHKRGURPC-UHFFFAOYSA-N",5327691,NA,"PDBC49331","767211","Present",NA,NA
+"49332","NSC767212",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767212",NA,"CN1C=C(C2=C1C=CC=C2OC)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","GZZFTWKZCLFRBO-UHFFFAOYSA-N",5327696,NA,"PDBC49332","767212","Present",NA,NA
+"49333","NSC767213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767213",NA,"CC1=CC2=C(C=C1)N(C=C2C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C)C","VEDDMJVAGLMJHD-UHFFFAOYSA-N",5327671,NA,"PDBC49333","767213","Present",NA,NA
+"49334","NSC767214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767214",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)N)C","KTAUCQCZXBJXPD-UHFFFAOYSA-N",5327684,NA,"PDBC49334","767214","Present",NA,NA
+"49335","NSC767215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767215",NA,"CC1=C2C(=CC=C1)C(=CN2C)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","NQZMHNYMTKLVTO-UHFFFAOYSA-N",5327690,NA,"PDBC49335","767215","Present",NA,NA
+"49336","NSC767216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767216",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN","UQHKJRCFSLMWIA-UHFFFAOYSA-N",2403,NA,"PDBC49336","767216","Present",NA,NA
+"49337","NSC767217",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767217",NA,"CC(=O)NC1=CC2=C(C=C1)C(=CN2C)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","QZTLMPWKXJARBA-UHFFFAOYSA-N",5327689,NA,"PDBC49337","767217","Present",NA,NA
+"49338","NSC767218",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767218",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)Cl)C","OYGJJFNXPCGVTE-UHFFFAOYSA-N",5327683,NA,"PDBC49338","767218","Present",NA,NA
+"49339","NSC767219",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767219",NA,"CC1=CC=CC=C1C2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)C","CIXYARKGFUUHHW-UHFFFAOYSA-N",5327714,NA,"PDBC49339","767219","Present",NA,NA
+"49340","NSC767220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767220",NA,"CN1C=C(C2=C1C=CC(=C2)Cl)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","VVLJRAHYERPXFH-UHFFFAOYSA-N",5327670,NA,"PDBC49340","767220","Present",NA,NA
+"49341","NSC767221",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767221",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)Br","KDOTZTCOVSLYKO-UHFFFAOYSA-N",5327708,NA,"PDBC49341","767221","Present",NA,NA
+"49342","NSC767222",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767222",NA,"CC1=CC(=C(C=C1)C)C2=C(C(=O)NC2=O)C3=CN(C4=CC=CC=C43)C","AJAGWKXGNBDGDQ-UHFFFAOYSA-N",5327719,NA,"PDBC49342","767222","Present",NA,NA
+"49343","NSC767223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767223",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=CC=C4C(F)(F)F","REXQMUUMBIEMKR-UHFFFAOYSA-N",5327717,NA,"PDBC49343","767223","Present",NA,NA
+"49344","NSC767224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767224",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=CC=C4[N+](=O)[O-]","HJXOAWWNHWZRHO-UHFFFAOYSA-N",5327716,NA,"PDBC49344","767224","Present",NA,NA
+"49345","NSC767225",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767225",NA,"CC1=C(C2=CC=CC=C2N1C)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","YJRJNBLRNPBJDL-UHFFFAOYSA-N",5327698,NA,"PDBC49345","767225","Present",NA,NA
+"49346","NSC767226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767226",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCCN","MNDVTEUMTAQQKL-UHFFFAOYSA-N",5327934,NA,"PDBC49346","767226","Present",NA,NA
+"49347","NSC767227",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767227",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54","SEAKDKTVXBDRHV-UHFFFAOYSA-N",5327654,NA,"PDBC49347","767227","Present",NA,NA
+"49348","NSC767228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767228",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN=CC=C4","VFTQJAGTZBWUJS-UHFFFAOYSA-N",18780230,NA,"PDBC49348","767228","Present",NA,NA
+"49349","NSC767230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767230",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCO","SCANCBOXHLJFBT-UHFFFAOYSA-N",5327928,NA,"PDBC49349","767230","Present",NA,NA
+"49350","NSC767231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767231",NA,"CNCCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","AOUNSDICPNJTQM-UHFFFAOYSA-N",5327935,NA,"PDBC49350","767231","Present",NA,NA
+"49351","NSC767232",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767232",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCN","OZVIXSLTRMYODX-UHFFFAOYSA-N",5327932,NA,"PDBC49351","767232","Present",NA,NA
+"49352","NSC767233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767233",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCCO","BSBODCATJMRXPP-UHFFFAOYSA-N",5327931,NA,"PDBC49352","767233","Present",NA,NA
+"49353","NSC767234",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767234",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CNC=C4","MFGMCPNDXYDUME-UHFFFAOYSA-N",5327666,NA,"PDBC49353","767234","Present",NA,NA
+"49354","NSC767235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767235",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)N4C=CC5=CC=CC=C54","WERUZASLJJAWCD-UHFFFAOYSA-N",5327660,NA,"PDBC49354","767235","Present",NA,NA
+"49355","NSC767236",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767236",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCNC(=N[N+](=O)[O-])N","QWOYFIJNWGMAQA-UHFFFAOYSA-N",136461980,NA,"PDBC49355","767236","Present",NA,NA
+"49356","NSC767238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767238",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CCCCN5C6=CC=CC=C64","VPTSHTDSHSZINV-UHFFFAOYSA-N",5327736,NA,"PDBC49356","767238","Present",NA,NA
+"49357","NSC767239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767239",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCN=C(N)N","MFBWLCFHQHKTBP-UHFFFAOYSA-N",5327941,NA,"PDBC49357","767239","Present",NA,NA
+"49358","NSC767241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767241",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCCSC(=N)N","HPYZDMGHSZUKPM-UHFFFAOYSA-N",5327939,NA,"PDBC49358","767241","Present",NA,NA
+"49359","NSC767242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767242",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN","QQKKPWJFHBFCTH-UHFFFAOYSA-N",2404,NA,"PDBC49359","767242","Present",NA,NA
+"49360","NSC767244",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767244",NA,"CCCN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C","NMPSBQCWPUSRMH-UHFFFAOYSA-N",5327657,NA,"PDBC49360","767244","Present",NA,NA
+"49361","NSC767245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767245",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)C6=CC=CC=C6","LZSMYZZPCOFKOY-UHFFFAOYSA-N",5327658,NA,"PDBC49361","767245","Present",NA,NA
+"49362","NSC767249",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767249",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=CC=CC=C54)CCCCC(=N)N","XIFBOSNPWOEMFB-UHFFFAOYSA-N",5327942,NA,"PDBC49362","767249","Present",NA,NA
+"49363","NSC767250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767250",NA,"C1=CC=C(C(=C1)C2=NC3=C(NC4=C2C=C(C=C4)[N+](=O)[O-])NN=C3)Cl","JOBYRTMUHJKCCU-UHFFFAOYSA-N",136002663,NA,"PDBC49363","767250","Present",NA,NA
+"49364","NSC767251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767251",NA,"C1=CSC(=C1)C2=NC3=NNC(=C3C(=C2)C(F)(F)F)N","YUHMIICGWLXAAD-UHFFFAOYSA-N",52948700,NA,"PDBC49364","767251","Present",NA,NA
+"49365","NSC767252",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767252",NA,"C1=CNC(=C1)C=C2C3=C(C=CC(=C3)F)NC2=O","WZZGJBRIPIUDCR-XFFZJAGNSA-N",49834792,NA,"PDBC49365","767252","Present",NA,NA
+"49366","NSC767253",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767253",NA,"COC1=C(NC=C1)C=C2C3=CC=CC=C3NC2=O","VFRYWNKBMCTSEA-NTMALXAHSA-N",23645052,NA,"PDBC49366","767253","Present",NA,NA
+"49367","NSC767255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767255",NA,"CC(C)C1=C2C(=NN1)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4Cl","LTBGJBWIVOIOBU-UHFFFAOYSA-N",135484603,NA,"PDBC49367","767255","Present",NA,NA
+"49368","NSC767256",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767256",NA,"CC1=C2C(=NN1)NC3=C(C=C(C=C3)C#N)C(=N2)C4=CC=CC=C4F","CJLJMEJZOSKKDY-UHFFFAOYSA-N",135422951,NA,"PDBC49368","767256","Present",NA,NA
+"49369","NSC767257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767257",NA,"CC1=C2C(=NN1)NC3=C(C=C(C=C3)OC)C(=N2)C4=CC=CC=C4Cl","DPNXJZDCWBJDSX-UHFFFAOYSA-N",136152790,NA,"PDBC49369","767257","Present",NA,NA
+"49370","NSC767258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767258",NA,"COC1=C(NC=C1)C=C2C3=C(C=CC(=C3I)F)NC2=O","JTWFHXHESYOBSQ-SREVYHEPSA-N",18363902,NA,"PDBC49370","767258","Present",NA,NA
+"49371","NSC767259",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767259",NA,"CNCC#CC1=C(C=CC2=C1C(=CC3=C(C=CN3)OC)C(=O)N2)F","QMIDZOGAPGBZSC-BENRWUELSA-N",23645070,NA,"PDBC49371","767259","Present",NA,NA
+"49372","NSC767260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767260",NA,"CC1=C2C(=NN1)NC3=C(C=C(C=C3)NC(=O)C)C(=N2)C4=CC=CC=C4Cl","QZKMTTRUIZQGBA-UHFFFAOYSA-N",135515472,NA,"PDBC49372","767260","Present",NA,NA
+"49373","NSC767261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767261",NA,"COC1=C(NC=C1)C=C2C3=C(C=CC(=C3C#CC4(CCOCC4)O)F)NC2=O","VVEJXZWNRXJDBL-OWBHPGMISA-N",18366119,NA,"PDBC49373","767261","Present",NA,NA
+"49374","NSC767262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767262",NA,"CC1=C2C(=NN1)NC3=C(C=C(C=C3)C(=O)N)C(=N2)C4=CC=CC=C4F","VVNLDCXTONSUOB-UHFFFAOYSA-N",136152807,NA,"PDBC49374","767262","Present",NA,NA
+"49375","NSC767263",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767263",NA,"COC1=C(NC=C1)C=C2C3=C(C=CC(=C3C#CC4(CCNCC4)O)F)NC2=O","OIINJADYHQPDPP-OWBHPGMISA-N",9823288,NA,"PDBC49375","767263","Present",NA,NA
+"49376","NSC767264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767264",NA,"CNC(CO)C#CC1=C(C=CC2=C1C(=CC3=C(C=CN3)OC)C(=O)N2)F","ZSPQUICTVOBVJJ-NASPGAHYSA-N",23645076,NA,"PDBC49376","767264","Present",NA,NA
+"49377","NSC767265",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767265",NA,"CC(C(C(C#CC1=C(C=CC2=C1C(=CC3=C(C=CN3)OC)C(=O)N2)F)O)N)O","RAKYKJWUUUKCCW-MPLBGYFPSA-N",5288222,NA,"PDBC49377","767265","Present",NA,NA
+"49378","NSC767266",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767266",NA,"C1=CC=C(C(=C1)C2=NC3=C(NN=C3NC4=C2C=C(C=C4)[N+](=O)[O-])C5=CN=CC=C5)Cl","DOLVPPZXPDLQMW-UHFFFAOYSA-N",136002526,NA,"PDBC49378","767266","Present",NA,NA
+"49379","NSC767270",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767270",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN(C)C","FXGHOAZJQNLNFD-UHFFFAOYSA-N",5084,NA,"PDBC49379","767270","Present",NA,NA
+"49380","NSC767272",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767272",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)C(=O)N)C","JDFHTCHKNZWWME-UHFFFAOYSA-N",5327688,NA,"PDBC49380","767272","Present",NA,NA
+"49381","NSC767273",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767273",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CN(C5=C4C=CC(=C5)C(=O)O)C","BQVYRVFEBOGTBZ-UHFFFAOYSA-N",5327687,NA,"PDBC49381","767273","Present",NA,NA
+"49382","NSC767275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767275",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CN(CCN5C6=CC=CC=C64)C(=S)N","BTWNSUFXMWNHMU-UHFFFAOYSA-N",19696390,NA,"PDBC49382","767275","Present",NA,NA
+"49383","NSC767277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767277",NA,"C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)OC3=O)C4=CNC5=CC=CC=C54","BEDSOEWYLAPDOL-UHFFFAOYSA-N",5327652,NA,"PDBC49383","767277","Present",NA,NA
+"49384","NSC767278",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767278",NA,"C1=CC=C2C(=C1)C(=CN2)C3=C(C(=O)N(C3=O)O)C4=CNC5=CC=CC=C54","STOYHVQKKWVYFE-UHFFFAOYSA-N",5327653,NA,"PDBC49384","767278","Present",NA,NA
+"49385","NSC767279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767279",NA,"CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NCC4=CC=CC=C4","DLHWUMMMNDLTMS-HJOGWXRNSA-N",44277900,NA,"PDBC49385","767279","Present",NA,NA
+"49386","NSC767280",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767280",NA,"CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NCC4=CC=C(C=C4)O","YJUOBZFCQOGLRV-HJOGWXRNSA-N",44277503,NA,"PDBC49386","767280","Present",NA,NA
+"49387","NSC767281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767281",NA,"CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NC4CCC5=CC=CC=C45","SAZHZYWFOUCQJC-MSMMDESQSA-N",44277575,NA,"PDBC49387","767281","Present",NA,NA
+"49388","NSC767282",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767282",NA,"CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NCC4=CC=CC5=CC=CC=C54","YLYKZZYZVCSJSA-KCHLEUMXSA-N",44277479,NA,"PDBC49388","767282","Present",NA,NA
+"49389","NSC767283",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767283",NA,"CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NC4=CC=CC5=CC=CC=C54","NNTWLSYHHZVTFH-QKDODKLFSA-N",44277576,NA,"PDBC49389","767283","Present",NA,NA
+"49390","NSC767284",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767284",NA,"CCCCCNC(=O)C1CCCN2N1C(=O)C(CCC2=O)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C","TZRGIFZYVSBSHA-FKBYEOEOSA-N",44277621,NA,"PDBC49390","767284","Present",NA,NA
+"49391","NSC767285",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767285",NA,"CC(=O)NC(CC1=CC=C(C=C1)OP(=O)(O)O)C(=O)NC2CCC(=O)N3CCCC(N3C2=O)C(=O)NCC4=CC=C(C=C4)Cl","DVKKBIFVWBEZOS-HJOGWXRNSA-N",44277458,NA,"PDBC49391","767285","Present",NA,NA
+"49392","NSC767286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767286",NA,"CCNC(=O)C1CCCN2N1C(=O)C(CCC2=O)NC(=O)C(CC3=CC=C(C=C3)OP(=O)(O)O)NC(=O)C","XTEQBWJFOMITGP-FHWLQOOXSA-N",44277554,NA,"PDBC49392","767286","Present",NA,NA
+"49393","NSC767287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767287",NA,"COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)OC3CCCNCC3NC(=O)C4=CC=NC=C4)F","VYPRIFLEMOQRJK-TZIWHRDSSA-N",657001,NA,"PDBC49393","767287","Present",NA,NA
+"49394","NSC767288",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767288",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C5CC(CCN5C6=CC=CC=C64)CN(C)C","FXGHOAZJQNLNFD-KRWDZBQOSA-N",127757,NA,"PDBC49394","767288","Present",NA,NA
+"49395","NSC767290",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767290",NA,"C1=CNC(=C1)C2=C3C4=C(C=CC(=C4C(=C2)OCCO)F)NC3=O","UPPMBTMATLNYOX-UHFFFAOYSA-N",10267663,NA,"PDBC49395","767290","Present",NA,NA
+"49396","NSC767291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767291",NA,"COC1=C(NC=C1)C=C2C3=C(C=CC(=C3N4CCC(C4)O)[N+](=O)[O-])NC2=O","AIDMUEJGKCTNDD-UBYNWHESSA-N",23645060,NA,"PDBC49396","767291","Present",NA,NA
+"49397","NSC767292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767292",NA,"CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC5=C(C=C4)OCCO5)N","YGEYFDLYGXSZCP-UHFFFAOYSA-N",9911652,NA,"PDBC49397","767292","Present",NA,NA
+"49398","NSC767293",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767293",NA,"CC(C)N1CCN(CC1)C2=CC=C(C=C2)NC3=NC(=C(S3)C(=O)C4=CC(=CC=C4)OC)N","ULASOGJPQQFWKK-UHFFFAOYSA-N",9933545,NA,"PDBC49398","767293","Present",NA,NA
+"49399","NSC767295",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767295",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","DVLXTGOCPDWTOP-UHFFFAOYSA-N",11565393,NA,"PDBC49399","767295","Present",NA,NA
+"49400","NSC767297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767297",NA,"C1COCCN1CC#CC2=CC=C(C=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","YKQSZSWWKSGNGQ-UHFFFAOYSA-N",11545890,NA,"PDBC49400","767297","Present",NA,NA
+"49401","NSC767298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767298",NA,"C1=CC(=CC=C1C#N)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","WIONSZYEDDEDKQ-UHFFFAOYSA-N",11716469,NA,"PDBC49401","767298","Present",NA,NA
+"49402","NSC767299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767299",NA,"C1COCCN1CC#CC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","ZLWMWZFWHRGJNK-UHFFFAOYSA-N",9953051,NA,"PDBC49402","767299","Present",NA,NA
+"49403","NSC767300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767300",NA,"C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)C#N","MFQSMNKWWIQGSS-UHFFFAOYSA-N",11529613,NA,"PDBC49403","767300","Present",NA,NA
+"49404","NSC767301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767301",NA,"C1COCCN1CCCC2=CC=C(C=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","IPBMAILATSMSGW-UHFFFAOYSA-N",11596656,NA,"PDBC49404","767301","Present",NA,NA
+"49405","NSC767302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767302",NA,"C1COCCN1CCCC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","UGLOHEBRMNZKKE-UHFFFAOYSA-N",11640131,NA,"PDBC49405","767302","Present",NA,NA
+"49406","NSC767303",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767303",NA,"C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)C#CCO","ABLHKLIEDOTYMC-UHFFFAOYSA-N",11508284,NA,"PDBC49406","767303","Present",NA,NA
+"49407","NSC767304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767304",NA,"C1=CC2=C(C(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)N=C1","DPGNJQAIOXNWEY-UHFFFAOYSA-N",11833097,NA,"PDBC49407","767304","Present",NA,NA
+"49408","NSC767305",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767305",NA,"CN1CCN(CC1)CC#CC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","YYVKSHPLTWCLMQ-UHFFFAOYSA-N",11647378,NA,"PDBC49408","767305","Present",NA,NA
+"49409","NSC767306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767306",NA,"C1CCN(CC1)CC#CC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","IKBMSEBMUSHLHW-UHFFFAOYSA-N",11675748,NA,"PDBC49409","767306","Present",NA,NA
+"49410","NSC767307",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767307",NA,"C1COCCN1CCN2C3=C(C(=C2C4=CC=NC=C4)C5=CC=C(C=C5)F)N=CC=C3","POSGPOILCJXRFO-UHFFFAOYSA-N",11825589,NA,"PDBC49410","767307","Present",NA,NA
+"49411","NSC767308",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767308",NA,"CN(C)CC#CC1=CC(=CC=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","VGELWLMQVSZFKX-UHFFFAOYSA-N",22262790,NA,"PDBC49411","767308","Present",NA,NA
+"49412","NSC767309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767309",NA,"CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(=O)C3=CC=CC=C3","KJTRXVXWSSPHRV-UHFFFAOYSA-N",354929,NA,"PDBC49412","767309","Present",NA,NA
+"49413","NSC767310",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767310",NA,"CN1C2=C(C(=C1C3=CC=NC=C3)C4=CC=C(C=C4)F)N=CC=C2","SVHIOPOOPNXCLH-UHFFFAOYSA-N",11822822,NA,"PDBC49413","767310","Present",NA,NA
+"49414","NSC767311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767311",NA,"C1=CC(=CC=C1C2=C(NC3=NC=CN=C23)C4=CC=NC=C4)F","LXTFKKVJJMDQNR-UHFFFAOYSA-N",11011717,NA,"PDBC49414","767311","Present",NA,NA
+"49415","NSC767312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767312",NA,"C1=CC2=C(C(=C(N2CCO)C3=CC=NC=C3)C4=CC=C(C=C4)F)N=C1","XSXJOLWAPKFGRV-UHFFFAOYSA-N",10980521,NA,"PDBC49415","767312","Present",NA,NA
+"49416","NSC767313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767313",NA,"CN1CCN(CC1)CCC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","NQXXPKVWKHCLEW-UHFFFAOYSA-N",11531595,NA,"PDBC49416","767313","Present",NA,NA
+"49417","NSC767314",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767314",NA,"C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)CCS(=O)(=O)N","PUBQBMIAESKDQT-UHFFFAOYSA-N",9908316,NA,"PDBC49417","767314","Present",NA,NA
+"49418","NSC767315",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767315",NA,"C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)C4=CN=CC=C4","MDPZNDLAGKIDFD-UHFFFAOYSA-N",9950664,NA,"PDBC49418","767315","Present",NA,NA
+"49419","NSC767316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767316",NA,"CON=C(C1=CC=CC=C1)C2=C(N(N=C2)C3=CC=CC=C3)N","NQLYVDJYPPFYEQ-CAPFRKAQSA-N",11652236,NA,"PDBC49419","767316","Present",NA,NA
+"49420","NSC767317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767317",NA,"C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)F)F)N)C4=CN=CC=C4","DGTYVNDZYOVKCN-UHFFFAOYSA-N",11689340,NA,"PDBC49420","767317","Present",NA,NA
+"49421","NSC767318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767318",NA,"C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)C4=CC=NC=C4","FZARWELZTDACPC-UHFFFAOYSA-N",11624640,NA,"PDBC49421","767318","Present",NA,NA
+"49422","NSC767319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767319",NA,"C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)F)F)N)C4=C[N+](=CC=C4)[O-]","DQRDCTDOZGNBTG-UHFFFAOYSA-N",11618088,NA,"PDBC49422","767319","Present",NA,NA
+"49423","NSC767320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767320",NA,"C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=C(C=C(C=C3)F)F)N)C4=CC=NC=C4","NZWFFENQMLVUIB-UHFFFAOYSA-N",9864447,NA,"PDBC49423","767320","Present",NA,NA
+"49424","NSC767321",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767321",NA,"C1=CC(=CC(=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)C(CO)O","NETMPCVQLSKQCS-UHFFFAOYSA-N",9949860,NA,"PDBC49424","767321","Present",NA,NA
+"49425","NSC767322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767322",NA,"C1CCC(C1)(CCC2=CC(=CC=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N)O","BSNOOUBZAZNTTC-UHFFFAOYSA-N",11718141,NA,"PDBC49425","767322","Present",NA,NA
+"49426","NSC767323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767323",NA,"CC(C)(CCC1=CC(=CC=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N)O","VYZNEDVUQBPGQA-UHFFFAOYSA-N",11660643,NA,"PDBC49426","767323","Present",NA,NA
+"49427","NSC767324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767324",NA,"C1=CC(=CC(=C1)OCC(CO)O)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","IJDQETGUEUJVTB-HNNXBMFYSA-N",5327067,NA,"PDBC49427","767324","Present",NA,NA
+"49428","NSC767325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767325",NA,"CS(=O)(=O)CCC1=CC(=CC=C1)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","FAOCNBXKNCERRY-UHFFFAOYSA-N",11552798,NA,"PDBC49428","767325","Present",NA,NA
+"49429","NSC767326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767326",NA,"C1=CC(=CC(=C1)C(CO)(CO)O)C(=O)C2=C(N(N=C2)C3=CC=C(C=C3)F)N","KQHTUTITZRQSRT-UHFFFAOYSA-N",11530816,NA,"PDBC49429","767326","Present",NA,NA
+"49430","NSC767327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767327",NA,"C1=CC(=CN=C1)C2=CC=C(C=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","KSUBRNWNBRUYKF-UHFFFAOYSA-N",11602903,NA,"PDBC49430","767327","Present",NA,NA
+"49431","NSC767328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767328",NA,"CC(CO)NC1=NC=CC(=C1)C2=C(C3=C(N2)C=CC=N3)C4=CC=C(C=C4)F","NPHRPHMHAOPRTH-UHFFFAOYSA-N",11068448,NA,"PDBC49431","767328","Present",NA,NA
+"49432","NSC767329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767329",NA,"CC(CNC1=NC=CC(=C1)C2=C(C3=C(N2)C=CC=N3)C4=CC=C(C=C4)F)O","KCXCFBQZWGUDQC-ZDUSSCGKSA-N",9863786,NA,"PDBC49432","767329","Present",NA,NA
+"49433","NSC767330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767330",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OCC(CO)O","PERSXWGSHFVFIB-AWEZNQCLSA-N",70119441,NA,"PDBC49433","767330","Present",NA,NA
+"49434","NSC767331",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767331",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=C(C=C4)OC)OC","BUSSOWPXBXFBJR-UHFFFAOYSA-N",46880909,NA,"PDBC49434","767331","Present",NA,NA
+"49435","NSC767332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767332",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC=C(C=C4)OCC(CO)O","PHNFWGLVOFLFPI-AWEZNQCLSA-N",127054512,NA,"PDBC49435","767332","Present",NA,NA
+"49436","NSC767333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767333",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=C(C=CC(=C4)OC)OC","ZGVVZGASZMNLFQ-UHFFFAOYSA-N",46880910,NA,"PDBC49436","767333","Present",NA,NA
+"49437","NSC767334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767334",NA,"CC1=C(C2=CC=CC=C2N1C)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","XRPAAPKYUKNKSM-UHFFFAOYSA-N",46880257,NA,"PDBC49437","767334","Present",NA,NA
+"49438","NSC767335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767335",NA,"CN1C=C(C2=C1C=CC(=C2)Cl)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","AKGYFGPTGCPJOY-UHFFFAOYSA-N",46880300,NA,"PDBC49438","767335","Present",NA,NA
+"49439","NSC767336",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767336",NA,"CN1C=C(C2=C1C=C(C=C2)F)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","ARSCWVMYFYXWGC-UHFFFAOYSA-N",46880299,NA,"PDBC49439","767336","Present",NA,NA
+"49440","NSC767337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767337",NA,"CN1C=C(C2=C1C=CC=C2OC)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","IKKUZIHEYPKQFA-UHFFFAOYSA-N",46880302,NA,"PDBC49440","767337","Present",NA,NA
+"49441","NSC767338",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767338",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)SC4=CC=CC=C4","BLXHUSFCTBUDQK-UHFFFAOYSA-N",46880948,NA,"PDBC49441","767338","Present",NA,NA
+"49442","NSC767339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767339",NA,"CC1=C2C(=CC=C1)C(=CN2C)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OC","DWOJDNNVYUAOMW-UHFFFAOYSA-N",127054513,NA,"PDBC49442","767339","Present",NA,NA
+"49443","NSC767340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767340",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)OC4=CC=CC=C4","LCCWTRVDSLFZQZ-UHFFFAOYSA-N",46880254,NA,"PDBC49443","767340","Present",NA,NA
+"49444","NSC767341",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767341",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)NC4=CC=CC=C4","JJNQVVXLJXQVLY-UHFFFAOYSA-N",46880949,NA,"PDBC49444","767341","Present",NA,NA
+"49445","NSC767342",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767342",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)N4CCOCC4","OOVOLEKZFUHXFK-UHFFFAOYSA-N",46880256,NA,"PDBC49445","767342","Present",NA,NA
+"49446","NSC767343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767343",NA,"CN1C2=NC(=NC=C2C=C(C1=O)C3=CC=CC=C3Cl)NC4CCOCC4","QJTIXJPBVMBZGE-UHFFFAOYSA-N",23551786,NA,"PDBC49446","767343","Present",NA,NA
+"49447","NSC767344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767344",NA,"CN1C=C(C2=C1C=CC(=C2)Cl)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)NCC(CO)O","ZFJJSMUJXGVEEW-UHFFFAOYSA-N",12018155,NA,"PDBC49447","767344","Present",NA,NA
+"49448","NSC767345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767345",NA,"CN1C2=NC(=NC=C2C=C(C1=O)OC3=CC=CC=C3)NC4CCOCC4","MQCPQHIQHJWGCZ-UHFFFAOYSA-N",23434577,NA,"PDBC49448","767345","Present",NA,NA
+"49449","NSC767346",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767346",NA,"CN1C2=NC(=NC=C2C=C(C1=O)OC3=CC(=CC=C3)F)NC4CCOCC4","DTFPTUUNNFBXGC-UHFFFAOYSA-N",23434573,NA,"PDBC49449","767346","Present",NA,NA
+"49450","NSC767347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767347",NA,"CN1C2=NC(=NC=C2C=C(C1=O)OC3=CC=CC=C3F)NC4CCOCC4","VJXNYZFUSWOVCO-UHFFFAOYSA-N",20626953,NA,"PDBC49450","767347","Present",NA,NA
+"49451","NSC767348",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767348",NA,"CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4","KKKRKRMVJRHDMG-UHFFFAOYSA-N",11406590,NA,"PDBC49451","767348","Present",NA,NA
+"49452","NSC767349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767349",NA,"CN1C2=NC(=NC=C2C=C(C1=O)OC3=CC=C(C=C3)F)NC4CCOCC4","QRRNCBGQEYKNJL-UHFFFAOYSA-N",20626977,NA,"PDBC49452","767349","Present",NA,NA
+"49453","NSC767350",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767350",NA,"CN1C2=NC(=NC=C2C=C(C1=O)CC3=CC=CC=C3F)NC4CCOCC4","MEQQGUQIYFTMKE-UHFFFAOYSA-N",23434654,NA,"PDBC49453","767350","Present",NA,NA
+"49454","NSC767351",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767351",NA,"CC(C)(CO)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F","JKNVMEDXAYWIMH-UHFFFAOYSA-N",20626846,NA,"PDBC49454","767351","Present",NA,NA
+"49455","NSC767352",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767352",NA,"CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCC(CC4)O","QXBFECQVSFWIBC-UHFFFAOYSA-N",20626915,NA,"PDBC49455","767352","Present",NA,NA
+"49456","NSC767353",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767353",NA,"CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCS(=O)(=O)CC4","GJXDFKISKKIETP-UHFFFAOYSA-N",23434580,NA,"PDBC49456","767353","Present",NA,NA
+"49457","NSC767354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767354",NA,"CN1C2=NC(=NC=C2C=C(C1=O)CC3=C(C=C(C=C3)F)F)NC4CCOCC4","CXVKBXOZBZAXOY-UHFFFAOYSA-N",20626917,NA,"PDBC49457","767354","Present",NA,NA
+"49458","NSC767355",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767355",NA,"CC(C)(CNC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F)O","GEXRMYURKXTGJO-UHFFFAOYSA-N",20626848,NA,"PDBC49458","767355","Present",NA,NA
+"49459","NSC767356",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767356",NA,"CC(C)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F","HAVJVJFXQRMACG-UHFFFAOYSA-N",44517631,NA,"PDBC49459","767356","Present",NA,NA
+"49460","NSC767357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767357",NA,"CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NCCS(=O)(=O)C","IEXCFWHFWVDOIE-UHFFFAOYSA-N",52936612,NA,"PDBC49460","767357","Present",NA,NA
+"49461","NSC767358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767358",NA,"CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC(CO)CO","RUQQUIWSECIWQA-UHFFFAOYSA-N",52936523,NA,"PDBC49461","767358","Present",NA,NA
+"49462","NSC767359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767359",NA,"C1COCCC1NC2=NC=C3C=C(C(=O)NC3=N2)OC4=C(C=C(C=C4)F)F","GJWGTSBLEHCCCO-UHFFFAOYSA-N",52937134,NA,"PDBC49462","767359","Present",NA,NA
+"49463","NSC767360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767360",NA,"CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOC4","OLSXDVFWIMYFGF-GFCCVEGCSA-N",155813183,NA,"PDBC49463","767360","Present",NA,NA
+"49464","NSC767361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767361",NA,"CC1=CC(=NC2=C1C3=C(S2)C(=NC=N3)N)C","JZSWBZHJDCDLHK-UHFFFAOYSA-N",695484,NA,"PDBC49464","767361","Present",NA,NA
+"49465","NSC767362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767362",NA,"CC1=C(C2=C(N=C1C)SC3=C2N=CN=C3N)C","ZHOGWCBNPGYLOR-UHFFFAOYSA-N",702319,NA,"PDBC49465","767362","Present",NA,NA
+"49466","NSC767363",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767363",NA,"CCN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4","XAMCPYSMGWIPDA-UHFFFAOYSA-N",23434538,NA,"PDBC49466","767363","Present",NA,NA
+"49467","NSC767364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767364",NA,"COC1=C(C(=C(C=C1)O)C(=O)C2=CC=C(C=C2)C(=O)NC3CCCNCC3NC(=O)C4=CC=NC=C4)F","KGSQEYHTCBVKAX-PMACEKPBSA-N",155814755,NA,"PDBC49467","767364","Present",NA,NA
+"49468","NSC767365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767365",NA,"COC1=CC=C(C=C1)N2CC3=CN=C(N=C3N(C2=O)C4CCC(C4)O)NC5=CC=CC=C5","NDEFXZOKPREYOV-WOJBJXKFSA-N",9910609,NA,"PDBC49468","767365","Present",NA,NA
+"49469","NSC767366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767366",NA,"C1CC1N2C3=NC(=NC=C3C=C(C2=O)OC4=C(C=C(C=C4)F)F)NC5CCOCC5","BJYSBGCEJCKTCI-UHFFFAOYSA-N",20626900,NA,"PDBC49469","767366","Present",NA,NA
+"49470","NSC767367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767367",NA,"C1=CC=C(C=C1)CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","AIMKWBLBSPOZKY-PDGQHHTCSA-N",135495115,NA,"PDBC49470","767367","Present",NA,NA
+"49471","NSC767368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767368",NA,"C1COCCC1NC2=NC=C3C=C(C(=O)N(C3=N2)CCCO)OC4=C(C=C(C=C4)F)F","QGGZWYGKNAFHCN-UHFFFAOYSA-N",11259005,NA,"PDBC49471","767368","Present",NA,NA
+"49472","NSC767369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767369",NA,"C1=CC=C(C=C1)N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","QNGJYVOEOMSOMB-ATVHPVEESA-N",135950073,NA,"PDBC49472","767369","Present",NA,NA
+"49473","NSC767370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767370",NA,"C1=CC=C(C=C1)CCCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","XXTBGCDIWGVPDV-HKWRFOASSA-N",135950075,NA,"PDBC49473","767370","Present",NA,NA
+"49474","NSC767371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767371",NA,"CCC1=C(C2=C(N=C1C)SC3=C2N=CN=C3N)C","YBUNMPDOPJOUFZ-UHFFFAOYSA-N",25190900,NA,"PDBC49474","767371","Present",NA,NA
+"49475","NSC767372",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767372",NA,"COC1=CC=C(C=C1)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","VNOYIPYTNHSABI-ZHZULCJRSA-N",135424857,NA,"PDBC49475","767372","Present",NA,NA
+"49476","NSC767373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767373",NA,"C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCCC4=CC=C(C=C4)Cl)S3)N=C1","NIVFASQWEKUFIZ-UYRXBGFRSA-N",135950080,NA,"PDBC49476","767373","Present",NA,NA
+"49477","NSC767375",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767375",NA,"C1=CC=C(C(=C1)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)Cl","LPEVMUNFDQCTIL-UYRXBGFRSA-N",135950083,NA,"PDBC49477","767375","Present",NA,NA
+"49478","NSC767376",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767376",NA,"CCOC1=CC=CC=C1CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","CICPDYLQPUYZLT-QNGOZBTKSA-N",135428197,NA,"PDBC49478","767376","Present",NA,NA
+"49479","NSC767377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767377",NA,"COC1=CC=CC=C1CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","AFDVSCYTWJLQJA-UNOMPAQXSA-N",135467112,NA,"PDBC49479","767377","Present",NA,NA
+"49480","NSC767378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767378",NA,"COC1=CC=CC=C1CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","VRZOESAUIOIKQL-ZHZULCJRSA-N",135487537,NA,"PDBC49480","767378","Present",NA,NA
+"49481","NSC767380",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767380",NA,"C1=CC=C(C(=C1)CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)Cl","JTORONFPLIPVEU-WQRHYEAKSA-N",135950084,NA,"PDBC49481","767380","Present",NA,NA
+"49482","NSC767381",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767381",NA,"C1=CC=C(C(=C1)CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)Br","XSFKFRVDUVPUNW-WQRHYEAKSA-N",135950085,NA,"PDBC49482","767381","Present",NA,NA
+"49483","NSC767382",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767382",NA,"C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCCC4=CC=C(C=C4)Br)S3)N=C1","AZRZKTBHXBHQRK-UYRXBGFRSA-N",135950081,NA,"PDBC49483","767382","Present",NA,NA
+"49484","NSC767384",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767384",NA,"C1=CC(=CC(=C1)F)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","BIXMIBMPGWMDNN-UYRXBGFRSA-N",135950078,NA,"PDBC49484","767384","Present",NA,NA
+"49485","NSC767385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767385",NA,"C1=CC=NC(=C1)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","CVMMOMQBQMKTKV-AQTBWJFISA-N",135950076,NA,"PDBC49485","767385","Present",NA,NA
+"49486","NSC767386",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767386",NA,"C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCCC4=CC=CS4)S3)N=C1","CCDRMKVPDCRBEF-ATVHPVEESA-N",135428190,NA,"PDBC49486","767386","Present",NA,NA
+"49487","NSC767388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767388",NA,"C1=CC2=C(C=CC(=C2)C=C3C(=N)N=C(S3)N)N=C1","GWQSGAGQMMZJPB-XFFZJAGNSA-N",155808495,NA,"PDBC49487","767388","Present",NA,NA
+"49488","NSC767390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767390",NA,"COC1=CC=CC=C1C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C","VIIIAPSCTBJJNE-UHFFFAOYSA-N",10319097,NA,"PDBC49488","767390","Present",NA,NA
+"49489","NSC767391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767391",NA,"COC1=C(C=C(C=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C","CXGFHBJFQBWPBO-UHFFFAOYSA-N",9979700,NA,"PDBC49489","767391","Present",NA,NA
+"49490","NSC767392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767392",NA,"C1=CC=C(C=C1)C(CO)N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","CYEVBLXFLGQSPY-IZILLXMLSA-N",136018621,NA,"PDBC49490","767392","Present",NA,NA
+"49491","NSC767393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767393",NA,"C1=CC2=C(C=CC(=C2)C=C3C(=O)N=C(S3)N)N=C1","GWSGFSPSQGXVFI-XFFZJAGNSA-N",2337532,NA,"PDBC49491","767393","Present",NA,NA
+"49492","NSC767394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767394",NA,"C1=CC=C(C=C1)C(CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)CO","QEKBEGHSZUAPOY-NDENLUEZSA-N",135400835,NA,"PDBC49492","767394","Present",NA,NA
+"49493","NSC767395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767395",NA,"COC1=CC(=C(C=C1C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C)F)F","VPHNNRKBCWFFKK-UHFFFAOYSA-N",11975206,NA,"PDBC49493","767395","Present",NA,NA
+"49494","NSC767396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767396",NA,"COCC(C1=CC=CC=C1)N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","BDJNDWUIRNBXQL-PQDCBLBRSA-N",155806686,NA,"PDBC49494","767396","Present",NA,NA
+"49495","NSC767398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767398",NA,"C1=CC(=C(C(=C1)Cl)CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)Cl","XBHJBHUDONLGFW-ZDLGFXPLSA-N",135950086,NA,"PDBC49495","767398","Present",NA,NA
+"49496","NSC767399",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767399",NA,"COC1=CC(=C(C(=C1C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C)F)F)F","AAOLDQJTTACKSD-UHFFFAOYSA-N",10479319,NA,"PDBC49496","767399","Present",NA,NA
+"49497","NSC767400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767400",NA,"COC1=C(C(=CC=C1)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C","NWIPTENCWQPQTO-UHFFFAOYSA-N",11743030,NA,"PDBC49497","767400","Present",NA,NA
+"49498","NSC767401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767401",NA,"C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=O)S3)N=C1","CBNBVOIOQAFDLQ-XFFZJAGNSA-N",11608563,NA,"PDBC49498","767401","Present",NA,NA
+"49499","NSC767402",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767402",NA,"CC(=C1C(=O)NC(=NCC2=CC=CS2)S1)C3=CC4=C(C=C3)N=CC=C4","WFZSEALEOVOIOQ-SFQUDFHCSA-N",155811615,NA,"PDBC49499","767402","Present",NA,NA
+"49500","NSC767403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767403",NA,"CON=C1NC(=O)C(=CC2=CC3=C(C=C2)N=CC=C3)S1","HUBFHDCOBSCSRE-WQLSENKSSA-N",155805351,NA,"PDBC49500","767403","Present",NA,NA
+"49501","NSC767405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767405",NA,"C1=CC2=C(C=CC(=C2)CC3C(=O)NC(=NCC4=CC=CS4)S3)N=C1","BUUQBHNRGXTWON-UHFFFAOYSA-N",136152806,NA,"PDBC49501","767405","Present",NA,NA
+"49502","NSC767406",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767406",NA,"C1=CC=NC(=C1)CN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","VUMVELURNGOAFL-BOPFTXTBSA-N",135407456,NA,"PDBC49502","767406","Present",NA,NA
+"49503","NSC767407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767407",NA,"C1C(C1N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)C5=CC=CC=C5","FITGAYHGSUWBQP-VBNMPBEYSA-N",135611170,NA,"PDBC49503","767407","Present",NA,NA
+"49504","NSC767408",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767408",NA,"CS(=O)(=O)N1CCC(CC1)NC2=NC=C(C(=N2)N)C(=O)C3=C(C=CC=C3F)F","SZDPBHAPNGSXHF-UHFFFAOYSA-N",11975075,NA,"PDBC49504","767408","Present",NA,NA
+"49505","NSC767409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767409",NA,"C1=CC=C(C=C1)C(CO)N=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","CYEVBLXFLGQSPY-GEBKJHSDSA-N",136018610,NA,"PDBC49505","767409","Present",NA,NA
+"49506","NSC767410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767410",NA,"CN1C2=NC(=NC=C2C=C(C1=O)SC3=CC=CC=C3F)NC4CCOCC4","SXTGUPPCGSPCRE-UHFFFAOYSA-N",52937032,NA,"PDBC49506","767410","Present",NA,NA
+"49507","NSC767411",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767411",NA,"CS(=O)(=O)CCN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4","GQLMLWYYGKIBSM-UHFFFAOYSA-N",52937135,NA,"PDBC49507","767411","Present",NA,NA
+"49508","NSC767412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767412",NA,"CS(=O)(=O)CCCN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4","JJBGSJULKAXNLC-UHFFFAOYSA-N",52937136,NA,"PDBC49508","767412","Present",NA,NA
+"49509","NSC767413",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767413",NA,"C1COCCC1NC2=NC=C3C=C(C(=O)N(C3=N2)C4CCS(=O)(=O)CC4)OC5=C(C=C(C=C5)F)F","NTUGSSWCMOUDCK-UHFFFAOYSA-N",52937239,NA,"PDBC49509","767413","Present",NA,NA
+"49510","NSC767414",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767414",NA,"CC(C)(CN1C2=NC(=NC=C2C=C(C1=O)OC3=C(C=C(C=C3)F)F)NC4CCOCC4)O","OEDPZABCSWCOMJ-UHFFFAOYSA-N",52937240,NA,"PDBC49510","767414","Present",NA,NA
+"49511","NSC767415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767415",NA,"C1COCCC1NC2=NC=C3C=C(C(=O)N(C3=N2)CC#N)OC4=C(C=C(C=C4)F)F","VMRGPSZYAXRWQY-UHFFFAOYSA-N",52937242,NA,"PDBC49511","767415","Present",NA,NA
+"49512","NSC767416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767416",NA,"CC(=O)N1CCC(CC1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)OC4=C(C=C(C=C4)F)F","QKDFZWOIJPKRGR-UHFFFAOYSA-N",52936613,NA,"PDBC49512","767416","Present",NA,NA
+"49513","NSC767417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767417",NA,"CC(CS(=O)(=O)C)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F","DVEYHFXOGUYFBU-JTQLQIEISA-N",44517629,NA,"PDBC49513","767417","Present",NA,NA
+"49514","NSC767418",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767418",NA,"CS(=O)(=O)N1CCC(CC1)N2C3=NC(=NC=C3C=C(C2=O)OC4=C(C=C(C=C4)F)F)NC5CCOCC5","ASOVUAMIHHQHJF-UHFFFAOYSA-N",52937243,NA,"PDBC49514","767418","Present",NA,NA
+"49515","NSC767419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767419",NA,"CC(CN1N=CN=N1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)OC4=C(C=C(C=C4)F)F","WIGNNIARPGHXFO-SNVBAGLBSA-N",44517632,NA,"PDBC49515","767419","Present",NA,NA
+"49516","NSC767420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767420",NA,"CC(C1=CC=CC=C1)C(C(=O)NC2=C(C=C(C=C2)I)F)N3C(=O)C(NC3=O)C4=CC=C(C=C4)OCC(CO)O","MEPDJWRMAAUPBM-CFWMINRKSA-N",155808496,NA,"PDBC49516","767420","Present",NA,NA
+"49517","NSC767421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767421",NA,"CNC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F","OZULYIIGBMRTMW-UHFFFAOYSA-N",52937244,NA,"PDBC49517","767421","Present",NA,NA
+"49518","NSC767422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767422",NA,"C1COCCN1CCOC2=CC=CC(=C2)C(=O)C3=C(N(N=C3)C4=CC=C(C=C4)F)N","AZPXSGWGNRAGOU-UHFFFAOYSA-N",9931377,NA,"PDBC49518","767422","Present",NA,NA
+"49519","NSC767423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767423",NA,"CC(CS(=O)(=O)C)NC1=NC=C2C=C(C(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F","DVEYHFXOGUYFBU-SNVBAGLBSA-N",44517630,NA,"PDBC49519","767423","Present",NA,NA
+"49520","NSC767424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767424",NA,"CN1C=C(C2=CC=CC=C21)C3=C(C(=O)NC3=O)C4=CC(=CC=C4)OCC(CO)O","PERSXWGSHFVFIB-UHFFFAOYSA-N",18403565,NA,"PDBC49520","767424","Present",NA,NA
+"49521","NSC767478",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767478",NA,NA,NA,NA,NA,"PDBC49521","767478","Present",NA,NA
+"49522","NSC767479",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767479",NA,NA,NA,NA,NA,"PDBC49522","767479","Present",NA,NA
+"49523","NSC767481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767481",NA,"CCCCCCCCOC(=O)CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OC(=O)CCN)C)OC(=O)CCN)OC(=O)CCN)C","HIJPMFMEERGVMN-OAVQDTFMSA-N",10723663,NA,"PDBC49523","767481","Present",NA,NA
+"49524","NSC767483",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767483",NA,"CCCCCN(CCCCC)CCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCCN)C)OCCCN)OCCCN)C","WJTLOVQDZWPCSK-KFQGXTKGSA-N",71504623,NA,"PDBC49524","767483","Present",NA,NA
+"49525","NSC767484",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767484",NA,"CCCCCCCCCCCCCCCCNCCCC(C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)OCCCN)C)OCCCN)OCCCN)C","LVXOMFMVNUAJBN-BETVSVEESA-N",76900455,NA,"PDBC49525","767484","Present",NA,NA
+"49526","NSC767513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767513",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C(=CSC3=N2)N","FHGBYFRVRIHWPR-POHAHGRESA-N",155808499,NA,"PDBC49526","767513","Present",NA,NA
+"49527","NSC767570",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767570",NA,"C1C(=CC2=C(C=C(C=C2)Cl)Cl)C(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)CN1S(=O)(=O)C4=CC=CC=C4","XGWDDGYOTHOLBM-XOBNHNQQSA-N",90667669,NA,"PDBC49527","767570","Present",NA,NA
+"49528","NSC767574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767574",NA,"CCN(CC)CCCC(C)NC(=C1C(=C(C2=CC(=CC=C2)OC)NC(C)CCCN(CC)CC)C(=O)[N-]C1=O)C3=CC(=CC=C3)OC.[Na+]","XKABGTFRWJUBRV-UHFFFAOYSA-M",155809828,NA,"PDBC49528","767574","Present",NA,NA
+"49529","NSC767641",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767641",NA,"CC1=NN(C2=C1N=C3C(=N2)NC(N4C3=NCC4)C5=CC=C(C=C5)Cl)C6=CC=CC=C6","HXCVSZXKBGRVAT-UHFFFAOYSA-N",155805356,NA,"PDBC49529","767641","Present",NA,NA
+"49530","NSC767642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767642",NA,"CC1=NN(C2=NC3=NC(=NC(=C3C(=C12)C4=CC=C(C=C4)OC)N)C5=CC=NC=C5)C6=CC=CC=C6","KLTVWHDTYTYXNR-UHFFFAOYSA-N",155808500,NA,"PDBC49530","767642","Present",NA,NA
+"49531","NSC767647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767647",NA,"CC1=CC=C(C=C1)C2=C3C(=NN(C3=NC4=NC(=NC(=C24)N)C5=CC=NC=C5)C6=CC=CC=C6)C","VCSOPYRAMLLXBD-UHFFFAOYSA-N",155805360,NA,"PDBC49531","767647","Present",NA,NA
+"49532","NSC767650",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767650",NA,"CN1C(=O)C2=C(N=C3C(=N2)C(=O)C4=CC=CC=C4C3=O)N=C1SC","LFWGMTQWABHFPN-UHFFFAOYSA-N",155814760,NA,"PDBC49532","767650","Present",NA,NA
+"49533","NSC767658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767658",NA,"CC1=CC=C(C=C1)C2=C3C(=NN(C3=NC4=NC5=C(CCC5)C(=C24)N)C6=CC=CC=C6)C","HVHHMLUWRJLVHA-UHFFFAOYSA-N",122377737,NA,"PDBC49533","767658","Present",NA,NA
+"49534","NSC767767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767767",NA,"C1=CC(=CC=C1C2=NN(C(=O)C=C2)C3=CC=C(C=C3)S(=O)(=O)N)Br","WNJFYNRNBYCFGQ-UHFFFAOYSA-N",127025177,NA,"PDBC49534","767767","Present",NA,NA
+"49535","NSC767772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767772",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=CC(=C(C=C3C2CC4(CCCCC4)O)OC)OC","HMZPRWGJBZDAHN-UHFFFAOYSA-N",155816282,NA,"PDBC49535","767772","Present",NA,NA
+"49536","NSC767774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767774",NA,"CN(C)CC1CC2=CC(=C(C=C2C3=CC(=C(C=C13)OC)OC)OC)OC","AZLLNRQTMBVAIY-UHFFFAOYSA-N",155811628,NA,"PDBC49536","767774","Present",NA,NA
+"49537","NSC767776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767776",NA,"CC#CC1=NC2=CC=CC=C2C(=N1)NC3=NNC(=C3)C","SRGKXNYHOPTIJT-UHFFFAOYSA-N",155809839,NA,"PDBC49537","767776","Present",NA,NA
+"49538","NSC767781",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767781",NA,"CCCCCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC4=CC=C(C=C4)Cl)C","GFMAGLUIIRRGQY-MYYYXRDXSA-N",155814764,NA,"PDBC49538","767781","Present",NA,NA
+"49539","NSC767782",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767782",NA,"CCCCCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC4=CC=CC=C4)C","AUBANKFMHKEWTH-XYGWBWBKSA-N",155816283,NA,"PDBC49539","767782","Present",NA,NA
+"49540","NSC767783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767783",NA,"CCCCCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC4=CC=C(C=C4)OC)C","PYDNXNARGKEQDC-QQXSKIMKSA-N",155809840,NA,"PDBC49540","767783","Present",NA,NA
+"49541","NSC767784",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767784",NA,"CCCCCC1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OCC4=CC=CC=C4)C","BQOIEDOSLXOHSO-QQXSKIMKSA-N",155813201,NA,"PDBC49541","767784","Present",NA,NA
+"49542","NSC767796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767796",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C=O","JUWFVCNTLKQYST-UHFFFAOYSA-N",155808509,NA,"PDBC49542","767796","Present",NA,NA
+"49543","NSC767797",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767797",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)CF","BFUVRCCQBREIKJ-UHFFFAOYSA-N",155816284,NA,"PDBC49543","767797","Present",NA,NA
+"49544","NSC767798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767798",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C(F)F","UGGXXZGNPKEQIG-UHFFFAOYSA-N",155806693,NA,"PDBC49544","767798","Present",NA,NA
+"49545","NSC767799",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767799",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C(=NO)N","FLBDYPSCVKCYSY-UHFFFAOYSA-N",155816285,NA,"PDBC49545","767799","Present",NA,NA
+"49546","NSC767800",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767800",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C4=NNN=N4","FTQVUFDGNWNXAL-UHFFFAOYSA-N",155816286,NA,"PDBC49546","767800","Present",NA,NA
+"49547","NSC767801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767801",NA,"CSCC1=NC=C(C(=N1)NC2CCCCCC2)C3=CC=C(C=C3)C(F)(F)F","FDFKVPXDBVJGLF-UHFFFAOYSA-N",155805365,NA,"PDBC49547","767801","Present",NA,NA
+"49548","NSC767802",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767802",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)N=[N+]=[N-]","SDYSLQBFJHSAFJ-UHFFFAOYSA-N",155811629,NA,"PDBC49548","767802","Present",NA,NA
+"49549","NSC767803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767803",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)CC#N","PQGNLGKCJUGCGO-UHFFFAOYSA-N",155816287,NA,"PDBC49549","767803","Present",NA,NA
+"49550","NSC767805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767805",NA,"CC(C)OP(=O)(C1=NC=C(C(=N1)NC2CCCCCC2)C3=CC=C(C=C3)C(F)(F)F)OC(C)C","ATKYYXVCLIPHEZ-UHFFFAOYSA-N",155809841,NA,"PDBC49550","767805","Present",NA,NA
+"49551","NSC767806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767806",NA,"CC(C)CNC1=NC(=NC(=N1)N=[N+]=[N-])NCC(C)C","MNAWKPPTQJZNQI-UHFFFAOYSA-N",155811630,NA,"PDBC49551","767806","Present",NA,NA
+"49552","NSC767807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767807",NA,"C1CCC(C1)NC2=NC(=NC(=N2)Cl)SC3=CC=C(C=C3)[N+](=O)[O-]","IJGQPDIBVFFHOD-UHFFFAOYSA-N",155809842,NA,"PDBC49552","767807","Present",NA,NA
+"49553","NSC767808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767808",NA,"CNC1=NC(=NC(=N1)SC2=CC=C(C=C2)OC)NC3CCCC3","BFMBYDIEWXMZPE-UHFFFAOYSA-N",155806694,NA,"PDBC49553","767808","Present",NA,NA
+"49554","NSC767824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767824",NA,"CC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","YZPUIASTUNJSST-HOTGVXAUSA-N",118727526,NA,"PDBC49554","767824","Present",NA,NA
+"49555","NSC767825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767825",NA,"CN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(CC(=O)OCC2=CC=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","IXDYLFIBMWUYFK-VXKWHMMOSA-N",118727522,NA,"PDBC49555","767825","Present",NA,NA
+"49556","NSC767826",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767826",NA,"CCC(C)C(C(=O)NC(CC1=CN(C=N1)C)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","SPQUORMVUISNHB-MIIWOSQWSA-N",155811631,NA,"PDBC49556","767826","Present",NA,NA
+"49557","NSC767827",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767827",NA,"CCN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(C(C)C)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","WSTUTEWHQBRCEZ-ROUUACIJSA-N",118727524,NA,"PDBC49557","767827","Present",NA,NA
+"49558","NSC767828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767828",NA,"CCN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(CCCCNC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","JWBCKODSJMCGNX-DQEYMECFSA-N",155809843,NA,"PDBC49558","767828","Present",NA,NA
+"49559","NSC767830",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767830",NA,"CC(C)C(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","QLPMRGSIUZZVLO-GOTSBHOMSA-N",155805367,NA,"PDBC49559","767830","Present",NA,NA
+"49560","NSC767831",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767831",NA,"CC(C)CC(C(=O)NC(CC1=CN(C=N1)C)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","DNYWWGYLFIXFGK-ROUUACIJSA-N",118727516,NA,"PDBC49560","767831","Present",NA,NA
+"49561","NSC767832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767832",NA,"CN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(CC2=CC=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F","POEMMMZOVHRYQQ-SFTDATJTSA-N",118727520,NA,"PDBC49561","767832","Present",NA,NA
+"49562","NSC767833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767833",NA,"CC(C)(C)C(C(=O)NC(CC1=CN(C=N1)C)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","DCYGSPZDKFBZBJ-DLBZAZTESA-N",118727525,NA,"PDBC49562","767833","Present",NA,NA
+"49563","NSC767834",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767834",NA,"CCN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(C(C)(C)C)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","GRMDGQWRRGQPLS-ZWKOTPCHSA-N",155806695,NA,"PDBC49563","767834","Present",NA,NA
+"49564","NSC767835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767835",NA,"CN1C=C(N=C1)CC(C(=O)OC)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","ZOSYDPHFPHTSPY-GOTSBHOMSA-N",118727521,NA,"PDBC49564","767835","Present",NA,NA
+"49565","NSC767836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767836",NA,"CC(C(=O)NC(CC1=CN(C=N1)C)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","PSFXJEKDTRVFEG-BONVTDFDSA-N",118727515,NA,"PDBC49565","767836","Present",NA,NA
+"49566","NSC767972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767972",NA,"C1CCN2C(=C(C(=C2C(=O)C3=CC4=C(C=C3)OCCO4)N)C#N)C1","JBGCKBVRUNNTEJ-UHFFFAOYSA-N",16766605,NA,"PDBC49566","767972","Present",NA,NA
+"49567","NSC767978",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767978",NA,"COC1=CC=C(C=C1)C2=NOC(=C2C3=CC4=C(C(=C3)OC)OCO4)N","HBFRIUNIQXROBF-UHFFFAOYSA-N",76321341,NA,"PDBC49567","767978","Present",NA,NA
+"49568","NSC767979",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767979",NA,"COC1=CC=C(C=C1)C2=C(C(=NN2)N)C3=CC(=C(C(=C3)OC)OC)OC","KJOZDTMYYINTJW-UHFFFAOYSA-N",53329390,NA,"PDBC49568","767979","Present",NA,NA
+"49569","NSC767980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767980",NA,"COC1=CC=C(C=C1)C2=NNN=C2C3=CC4=C(C(=C3)OC)OCO4","DOZOVRQLBANESF-UHFFFAOYSA-N",73334659,NA,"PDBC49569","767980","Present",NA,NA
+"49570","NSC767985",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767985",NA,"COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC5=C(C=C4)OCO5","NFKDIDCABMBNIW-UHFFFAOYSA-N",46949820,NA,"PDBC49570","767985","Present",NA,NA
+"49571","NSC767986",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767986",NA,"COC1=CC=C(C=C1)C2=CN=NN2C3=CC4=C(C(=C3)OC)OCO4","FXJWTEDHYUZWTB-UHFFFAOYSA-N",73334561,NA,"PDBC49571","767986","Present",NA,NA
+"49572","NSC767991",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767991",NA,"COC1=C(C=C(C=C1)C2=CN=NN2C3=NON=C3N4C=CC=C4)OC","MDCIKQBTBZWJTO-UHFFFAOYSA-N",91973270,NA,"PDBC49572","767991","Present",NA,NA
+"49573","NSC768002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768002",NA,"COC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=CC=C3)OC","WKLKYONGSSJYLW-UHFFFAOYSA-N",9879649,NA,"PDBC49573","768002","Present",NA,NA
+"49574","NSC768003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768003",NA,"COC1=CC=C(C=C1)C2=C(N=C(N2)C3=CC(=CC(=C3)OC)OC)C4=CC=C(C=C4)OC","ANKJNRBZIBHBNL-UHFFFAOYSA-N",1102524,NA,"PDBC49574","768003","Present",NA,NA
+"49575","NSC768012",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768012",NA,"CCN(CC1=C(C=CC=C1Cl)F)C2=CC(=C(C=C2)CO)Cl","OTRKGXFDLCVIET-UHFFFAOYSA-N",155805371,NA,"PDBC49575","768012","Present",NA,NA
+"49576","NSC768013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768013",NA,"CCN(CC1=C(C=CC=C1Cl)Cl)C2=CC(=C(C=C2)CO)Cl","JKNBMPUTEDFSGG-UHFFFAOYSA-N",155806701,NA,"PDBC49576","768013","Present",NA,NA
+"49577","NSC768014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768014",NA,"CCN(CC1=C(C=CC=C1F)C(F)(F)F)C2=CC(=C(C=C2)CO)Cl","OTOLHLZSLNPRFS-UHFFFAOYSA-N",155809848,NA,"PDBC49577","768014","Present",NA,NA
+"49578","NSC768015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768015",NA,"CCN(CC1=C(C=CC=C1F)OC)C2=CC(=C(C=C2)CO)Cl","PJIWTMUQWWZPTG-UHFFFAOYSA-N",155811633,NA,"PDBC49578","768015","Present",NA,NA
+"49579","NSC768016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768016",NA,"C1CN(C1C2=CC=C(C=C2)F)C3=CC(=C(C=C3)CO)Cl","UMZBHFRHDOIESH-UHFFFAOYSA-N",155816292,NA,"PDBC49579","768016","Present",NA,NA
+"49580","NSC768018",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768018",NA,"CCN(CC1=CC=CC=C1C)C2=CC(=C(C=C2)CO)Cl","GTGUVJNKZSYKDP-UHFFFAOYSA-N",155813206,NA,"PDBC49580","768018","Present",NA,NA
+"49581","NSC768019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768019",NA,"CCN(CC1=CC=CC=C1Cl)C2=CC(=C(C=C2)CO)Cl","JHIXPIOJPCXKTL-UHFFFAOYSA-N",155809849,NA,"PDBC49581","768019","Present",NA,NA
+"49582","NSC768020",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768020",NA,"CCN(CC1=CC=CC=C1F)C2=CC(=C(C=C2)CO)Cl","JAFFKIIASXPEAV-UHFFFAOYSA-N",155811634,NA,"PDBC49582","768020","Present",NA,NA
+"49583","NSC768021",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768021",NA,"CCN(CC1=CC=CC=C1OC)C2=CC(=C(C=C2)CO)Cl","SLICGLQFXPFIRH-UHFFFAOYSA-N",155813207,NA,"PDBC49583","768021","Present",NA,NA
+"49584","NSC768022",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768022",NA,"CCN(C1=CC(=C(C=C1)CO)Cl)C(C)C2=CC=C(C=C2)F","JWJPJQOWOOFNMJ-UHFFFAOYSA-N",155811635,NA,"PDBC49584","768022","Present",NA,NA
+"49585","NSC768023",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768023",NA,"C1CN(CC2=CC=CC=C21)C3=CC(=C(C=C3)CO)Cl","IKNMLFOSTDOTMO-UHFFFAOYSA-N",108293658,NA,"PDBC49585","768023","Present",NA,NA
+"49586","NSC768025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768025",NA,"C1CN(CC2=C1C=CC=C2F)C3=CC(=C(C=C3)CO)Cl","JIEPRXXJEWVKGW-UHFFFAOYSA-N",155809850,NA,"PDBC49586","768025","Present",NA,NA
+"49587","NSC768051",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768051",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C#N","ZYYUPVLZRDBTOI-UHFFFAOYSA-N",155806702,NA,"PDBC49587","768051","Present",NA,NA
+"49588","NSC768052",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768052",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)Cl","UOKVOKXRNOXSFI-UHFFFAOYSA-N",155811638,NA,"PDBC49588","768052","Present",NA,NA
+"49589","NSC768053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768053",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)C4=NOC=N4","CJKYCYZWZYZWMU-UHFFFAOYSA-N",155809851,NA,"PDBC49589","768053","Present",NA,NA
+"49590","NSC768054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768054",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)N","PHSZGBMYDVWFBI-UHFFFAOYSA-N",155808512,NA,"PDBC49590","768054","Present",NA,NA
+"49591","NSC768055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768055",NA,"CC(C)OP(=O)(C1=NC=C(C(=N1)NC2CCCCCC2)C3=CC=C(C=C3)C(F)(F)F)O","JJGLWCSAXHCFBE-UHFFFAOYSA-N",155808513,NA,"PDBC49591","768055","Present",NA,NA
+"49592","NSC768057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768057",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)Br","XXMFOTSGACLHRG-UHFFFAOYSA-N",155805373,NA,"PDBC49592","768057","Present",NA,NA
+"49593","NSC768058",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768058",NA,"CN(C)C1=NC=C(C(=N1)NC2CCCCCC2)C3=CC=C(C=C3)C(F)(F)F","XZSDRJHUAKRICJ-UHFFFAOYSA-N",155808514,NA,"PDBC49593","768058","Present",NA,NA
+"49594","NSC768059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768059",NA,"C1CCCC(CC1)NC2=C(C=NC(=O)N2)C3=CC=C(C=C3)C(F)(F)F","FRWJLBHCRXXXQW-UHFFFAOYSA-N",155805374,NA,"PDBC49594","768059","Present",NA,NA
+"49595","NSC768060",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768060",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)COC(=O)C4=C(C(=C(C(=C4F)F)F)F)F","PMWVNMIXQBCHAO-UHFFFAOYSA-N",155806703,NA,"PDBC49595","768060","Present",NA,NA
+"49596","NSC768124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768124",NA,"CC1=C(C(=NO1)C)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)OC)CCN5CCOCC5","RQFUKBAHMUVXDA-UHFFFAOYSA-N",121237855,NA,"PDBC49596","768124","Present",NA,NA
+"49597","NSC768415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768415",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CC(=NN2)C3=CC4=C(C=C3)OCO4","YRKQYEPMFQHXHJ-AATRIKPKSA-N",117928185,NA,"PDBC49597","768415","Present",NA,NA
+"49598","NSC768465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768465",NA,"CCOC(=O)C1=CC2=C(C=C1)N(C(=N2)C=CC3=CC=C(C=C3)Cl)C4=NNC(=C4)C(C)(C)C","MNHHKIIESCLZAL-MDWZMJQESA-N",155811429,NA,"PDBC49598","768465","Present",NA,NA
+"49599","NSC768473",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768473",NA,"C1=CC=C2C(=C1)C=C(C(=O)N2)C=CC(=O)C=CC3=CC=C(C=C3)Cl","UHDVDJNAVDZYFV-MKICQXMISA-N",155805170,NA,"PDBC49599","768473","Present",NA,NA
+"49600","NSC768474",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768474",NA,"COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC3=CC=CC=C3NC2=O","HVLYHNHRRFCXHF-BBYAVRKXSA-N",155809648,NA,"PDBC49600","768474","Present",NA,NA
+"49601","NSC768488",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768488",NA,"COC1=CC=C(C=C1)N(CC2=CC(=C(C(=C2)OC)OC)OC)C3C4=CC=CC=C4C(=O)O3","HBJLTUMCTDPDPH-UHFFFAOYSA-N",155808339,NA,"PDBC49601","768488","Present",NA,NA
+"49602","NSC768526",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768526",NA,"CCCCCCCNC1=NC(=NC=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC","RXAUHHMCRFDGNA-UHFFFAOYSA-N",155816110,NA,"PDBC49602","768526","Present",NA,NA
+"49603","NSC768527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768527",NA,"CCCCCCCCCCCCCCNC1=NC(=NC=C1C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC","UFLBAFZLZLKILL-UHFFFAOYSA-N",155809652,NA,"PDBC49603","768527","Present",NA,NA
+"49604","NSC768557",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768557",NA,"CC1=CC2=NC(=C(N2C=C1)C3=CSC(=N3)NC4=CC(=CC=C4)O)C","BSRKOYHAJSBCCE-UHFFFAOYSA-N",768033,NA,"PDBC49604","768557","Present",NA,NA
+"49605","NSC768562",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768562",NA,"C1=CC=C2C(=C1)C=CC3=C2OC(=C(C3C4=CC=CS4)C#N)N","RLDHRFZYYHWZQU-UHFFFAOYSA-N",2807476,NA,"PDBC49605","768562","Present",NA,NA
+"49606","NSC768565",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768565",NA,"COC1=CC=C(C=C1)C2=C(ON=C2)C3=CC(=C(C(=C3)OC)OC)OC","XUGSPERSQBCGJK-UHFFFAOYSA-N",44439004,NA,"PDBC49606","768565","Present",NA,NA
+"49607","NSC768567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768567",NA,"COC1=C(C2=C(C=C1C3CC(=O)NC4=C3C=NN4CC5=CC=CO5)OCO2)OC","YJONAWBPVJVIOK-UHFFFAOYSA-N",135636792,NA,"PDBC49607","768567","Present",NA,NA
+"49608","NSC768570",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768570",NA,"CC1=NN(C2=C1C(=O)CC(C2)C3=CC(=C(C(=C3)OC)OC)OC)C4=NC5=CC=CC=C5N4","ZAKFFLXCRUDRHL-UHFFFAOYSA-N",16766629,NA,"PDBC49608","768570","Present",NA,NA
+"49609","NSC768571",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768571",NA,"CC1=NN(C2=C1C(CC(=O)N2)C3=CC=C(C=C3)OC)C4=NC5=CC=CC=C5N4","QJPJPTLBSMOCTD-UHFFFAOYSA-N",135656007,NA,"PDBC49609","768571","Present",NA,NA
+"49610","NSC768572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768572",NA,"CC1=NN(C2=C1C(CC(=O)N2)C3=CC4=C(C=C3)OCO4)C5=NC6=CC=CC=C6N5","XLBHQWNWXNHLTG-UHFFFAOYSA-N",135656018,NA,"PDBC49610","768572","Present",NA,NA
+"49611","NSC768573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768573",NA,"COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CC=C4OC)N)OC","HAMSRRJHMKWRPI-UHFFFAOYSA-N",42647803,NA,"PDBC49611","768573","Present",NA,NA
+"49612","NSC768574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768574",NA,"COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N)OC","DYZYHBUOJVRYAS-UHFFFAOYSA-N",24109216,NA,"PDBC49612","768574","Present",NA,NA
+"49613","NSC768584",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768584",NA,"CC1=NN(C2=C1C(CC(=O)N2)C3=C(C(=CC=C3)OC)OC)C4=NC5=CC=CC=C5N4","JGWYDPVMOYYGHS-UHFFFAOYSA-N",135656006,NA,"PDBC49613","768584","Present",NA,NA
+"49614","NSC768585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768585",NA,"CC1=NN(C2=C1C(CC(=O)N2)C3=CC(=C(C=C3)OC)OC)C4=NC5=CC=CC=C5N4","HSSRGUFRSXFKDM-UHFFFAOYSA-N",135656010,NA,"PDBC49614","768585","Present",NA,NA
+"49615","NSC768586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768586",NA,"CC1=CC(=C(C=C1)C(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N)C","SHRVYLWBTZPOGS-UHFFFAOYSA-N",1238041,NA,"PDBC49615","768586","Present",NA,NA
+"49616","NSC768587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768587",NA,"COC1=CC(=C(C=C1)OC)C(=O)C2=C(C3=C(O2)C=CC(=C3)Br)N","LRSYDNSQEHGTQG-UHFFFAOYSA-N",631332,NA,"PDBC49616","768587","Present",NA,NA
+"49617","NSC768591",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768591",NA,"COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC4=C(C(=C3)OC)OCO4","NSDDVUKEERLUQI-UHFFFAOYSA-N",91973275,NA,"PDBC49617","768591","Present",NA,NA
+"49618","NSC768592",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768592",NA,"COC1=CC=C(C=C1)C2=C(C=NO2)C3=CC(=C(C(=C3)OC)OC)OC","SDEVLRKDBBUKIA-UHFFFAOYSA-N",44439006,NA,"PDBC49618","768592","Present",NA,NA
+"49619","NSC771442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771442",NA,"COC1=CC=C(C=C1)C2=CC(C3=C(N2)N=C(NC3=O)OC)C4=CC(=C(C=C4)OC5=C6C=CC(=CC6=NC=C5)Cl)OC","VTGDVACSXAKMLL-UHFFFAOYSA-N",155805184,NA,"PDBC49619","771442","Present",NA,NA
+"49620","NSC771445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771445",NA,"CSC1=NC2=C(C(C3=C(N2)C(=CC4=CC=C(C=C4)Cl)CNC3)C5=CC=C(C=C5)Cl)C(=O)N1","HZLOOTNYTDABNE-XNTDXEJSSA-N",155809659,NA,"PDBC49620","771445","Present",NA,NA
+"49621","NSC771458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771458",NA,"COC1=CC=C(C=C1)C2=NNC(C2)C3=C(N=C(S3)Cl)Cl","HJFYRKMEENPMNS-UHFFFAOYSA-N",129833798,NA,"PDBC49621","771458","Present",NA,NA
+"49622","NSC771473",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771473",NA,"CC1=NN(C2=C1C3C4=CC=CC=C4NC(=O)C3=C(N2)C5=CC=C(C=C5)Cl)C6=CC=CC=C6","LHPGFVXFCITGMW-UHFFFAOYSA-N",155806514,NA,"PDBC49622","771473","Present",NA,NA
+"49623","NSC771480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771480",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)Cl)OC","OEPRNGHGHBEDEY-WLRTZDKTSA-N",155811440,NA,"PDBC49623","771480","Present",NA,NA
+"49624","NSC771483",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771483",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC3=C(C(=C2)C4=CC(=C(C=C4)OC5=C6C=CC(=CC6=NC=C5)Cl)OC)C(=O)NC(=N3)N","ISIWZBPMMAXOBG-UHFFFAOYSA-N",155806518,NA,"PDBC49624","771483","Present",NA,NA
+"49625","NSC771562",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771562",NA,"CC1C2=CC=CC=C2CCN1C3=CC(=C(C=C3)CO)Cl","LVUOFUZBUUYKEH-UHFFFAOYSA-N",155808356,NA,"PDBC49625","771562","Present",NA,NA
+"49626","NSC771598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771598",NA,"C1=CC=C2C=C(C(=CC2=C1)C(=O)NCCOC3=NC4=CC=CC=C4C=C3C(=O)NC5=C(C=C(C=C5)Cl)O)OCCCN","VNMYAHAXAXUUHL-UHFFFAOYSA-N",71566401,NA,"PDBC49626","771598","Present",NA,NA
+"49627","NSC771664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771664",NA,"CC1=NN(C2=NC3=NC4=C(CCCC4)C(=C3C(=C12)C5=CC=C(C=C5)OC)N)C6=CC=CC=C6","UWGOWNZLSNTARA-UHFFFAOYSA-N",122377740,NA,"PDBC49627","771664","Present",NA,NA
+"49628","NSC771762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771762",NA,"COC1=CC(=CC(=C1)NC2=NC(=NC=C2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl)OC","CKOFWLSFRSAWJU-UHFFFAOYSA-N",117827351,NA,"PDBC49628","771762","Present",NA,NA
+"49629","NSC771763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771763",NA,"C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C4=NC=CC(=N4)NC5=CC=C(C=C5)F","CUUFTINJIQVXSJ-UHFFFAOYSA-N",117827329,NA,"PDBC49629","771763","Present",NA,NA
+"49630","NSC771787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771787",NA,"COC1=C(C=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CS4)N)OC","MJSZSEYOYMYKPN-UHFFFAOYSA-N",5088934,NA,"PDBC49630","771787","Present",NA,NA
+"49631","NSC771791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771791",NA,"COC1=CC=C(C=C1)C2=C(C=NO2)C3=CC4=C(C(=C3)OC)OCO4","MPFOSQIXUBFKPC-UHFFFAOYSA-N",91973277,NA,"PDBC49631","771791","Present",NA,NA
+"49632","NSC771795",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771795",NA,"CC1=C(C=CC=C1Cl)NC2=NC(=CS2)C3=C(N=C4N3C=CS4)C","SRDFJNLSICCYDU-UHFFFAOYSA-N",991115,NA,"PDBC49632","771795","Present",NA,NA
+"49633","NSC771796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771796",NA,"COC1=C(C(=CC(=C1)C2=C(C3=NC4=CC=CC=C4N3C(=C2C#N)N)C#N)Br)OC","JWHZGNKTABLZGC-UHFFFAOYSA-N",1042384,NA,"PDBC49633","771796","Present",NA,NA
+"49634","NSC771803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771803",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC3=C2N=C(N3)C(F)(F)F","LYFAHPBMGPHVFA-UHFFFAOYSA-N",5296936,NA,"PDBC49634","771803","Present",NA,NA
+"49635","NSC771807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771807",NA,"COC1=C(C=C(C=C1)C2=CC(=O)N(N2)C3=NC4=CC=CC=C4N3)OC","PRKYWBSIICMQDQ-UHFFFAOYSA-N",16476434,NA,"PDBC49635","771807","Present",NA,NA
+"49636","NSC771820",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771820",NA,"CC1=NN(C2=C1C(CC(=O)N2)C3=CC(=C(C(=C3)OC)O)OC)C4=NC5=CC=CC=C5N4","ACWBFENTBWWKBK-UHFFFAOYSA-N",135656015,NA,"PDBC49636","771820","Present",NA,NA
+"49637","NSC771827",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771827",NA,"COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC(=CC=C4)Cl","XNQRITQFCMZCIB-UHFFFAOYSA-N",42648101,NA,"PDBC49637","771827","Present",NA,NA
+"49638","NSC771829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771829",NA,"COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC=C(C=C4)F","CTZXMBQSLRUNDU-UHFFFAOYSA-N",42648104,NA,"PDBC49638","771829","Present",NA,NA
+"49639","NSC772205",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772205",NA,"B(C(CC(C)C)NC(=O)CN1C=CC(=CC1=O)NC2=CC=CC=C2)(O)O","LXDQJQYUHNTYAY-INIZCTEOSA-N",71697361,NA,"PDBC49639","772205","Present",NA,NA
+"49640","NSC772209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772209",NA,"B(C(CC(C)C)NC(=O)CCN1C=CC2=C(C1=O)C=CC=N2)(O)O","QVWSMLJHGXOLAN-AWEZNQCLSA-N",90645047,NA,"PDBC49640","772209","Present",NA,NA
+"49641","NSC772237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772237",NA,"C1=CC(=CC=C1C2=CN=C(N=C2NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F)C(F)(F)F","LELVIKXUVSQDNS-UHFFFAOYSA-N",155805208,NA,"PDBC49641","772237","Present",NA,NA
+"49642","NSC772238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772238",NA,"C1=CC(=CC=C1C2=CN=C(N=C2NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl)C(F)(F)F","YNEFZDMLTYNEKE-UHFFFAOYSA-N",155806537,NA,"PDBC49642","772238","Present",NA,NA
+"49643","NSC772239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772239",NA,"C1=CC(=CC=C1C2=CN=C(N=C2NCC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C#N)C(F)(F)F","IJMDQDDJSBDLAX-UHFFFAOYSA-N",155805209,NA,"PDBC49643","772239","Present",NA,NA
+"49644","NSC772317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772317",NA,"CC1=CC(=O)N2N1C3=C(C4=CC=CC=C4C=C3)N=N2","BHMJAHFUVWPXLG-UHFFFAOYSA-N",155812782,NA,"PDBC49644","772317","Present",NA,NA
+"49645","NSC772330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772330",NA,"C1=CC(=C(C=C1NC2=C3C=C(C=CC3=NC=C2C#N)NCC4=CN=CN4)Cl)F","HFOOHVUKODGHBP-UHFFFAOYSA-N",16066845,NA,"PDBC49645","772330","Present",NA,NA
+"49646","NSC772341",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772341",NA,NA,NA,NA,NA,"PDBC49646","772341","Present",NA,NA
+"49647","NSC772344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772344",NA,"C1=CC=C2C(=C1)C3=C(S2)C(=O)N(N=N3)C4=CC(=C(C=C4)F)Cl","AZWKVNKDMMPSDB-UHFFFAOYSA-N",118706322,NA,"PDBC49647","772344","Present",NA,NA
+"49648","NSC772345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772345",NA,"CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=N2","SGYUPNQAEWWRJY-UHFFFAOYSA-N",118706323,NA,"PDBC49648","772345","Present",NA,NA
+"49649","NSC772346",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772346",NA,"COC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4S3)N=N2","TXJRUBBWHOHORI-UHFFFAOYSA-N",118706324,NA,"PDBC49649","772346","Present",NA,NA
+"49650","NSC772437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772437",NA,"C1=COC(=C1)C2=CC=C(O2)C3=CC(=C(C=C3)C(=N)N)F","CDHPQZAGPUZFQP-UHFFFAOYSA-N",155816143,NA,"PDBC49650","772437","Present",NA,NA
+"49651","NSC772439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772439",NA,"COC1=CC(=CC(=C1)C2=CC=C(S2)C3=CC=C(S3)C(=N)N)OC","QBWGTMWTMGHCAC-UHFFFAOYSA-N",155811463,NA,"PDBC49651","772439","Present",NA,NA
+"49652","NSC772533",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772533",NA,"CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CN(N=N4)C5=CC(=CC=C5)OC","ZWILTTBPGJBJGM-UHFFFAOYSA-N",155806549,NA,"PDBC49652","772533","Present",NA,NA
+"49653","NSC772537",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772537",NA,"CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C#C","LBMRCYHUGLYLPR-UHFFFAOYSA-N",155812789,NA,"PDBC49653","772537","Present",NA,NA
+"49654","NSC772541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772541",NA,"CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CN=CC=C4","FJMIMDSAEQAMEG-UHFFFAOYSA-N",9922444,NA,"PDBC49654","772541","Present",NA,NA
+"49655","NSC772542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772542",NA,"CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=NC=C4","LGWDGIALCCNBQU-UHFFFAOYSA-N",9901007,NA,"PDBC49655","772542","Present",NA,NA
+"49656","NSC772543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772543",NA,"CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F","CPRAZTHDRGGAFK-UHFFFAOYSA-N",70687546,NA,"PDBC49656","772543","Present",NA,NA
+"49657","NSC772544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772544",NA,"CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC","SOPMSUWIPJLODE-UHFFFAOYSA-N",155806552,NA,"PDBC49657","772544","Present",NA,NA
+"49658","NSC772545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772545",NA,"CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NC4=NNC(=C4)C","VWFPEGABLBTWGY-UHFFFAOYSA-N",155808372,NA,"PDBC49658","772545","Present",NA,NA
+"49659","NSC772548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772548",NA,"CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C(=O)NC4=CC=CC=C4","CJQWGFQDUZQMJY-UHFFFAOYSA-N",155811467,NA,"PDBC49659","772548","Present",NA,NA
+"49660","NSC772555",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772555",NA,"CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)N4CCOCC4","FVKWCHIUAUPBEH-UHFFFAOYSA-N",11990504,NA,"PDBC49660","772555","Present",NA,NA
+"49661","NSC772557",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772557",NA,"CC1=CC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=CN(N=N4)C5=CC=C(C=C5)Cl","AZZMHLQWOCJRBZ-UHFFFAOYSA-N",155816149,NA,"PDBC49661","772557","Present",NA,NA
+"49662","NSC772637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772637",NA,"COC1=CC=C(C=C1)C2=NSC3=C2NC(=O)CC3C4=CC(=CC=C4)F","UAHIDJBAXQSQDO-UHFFFAOYSA-N",46949819,NA,"PDBC49662","772637","Present",NA,NA
+"49663","NSC772643",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772643",NA,"C1=CC=C(C(=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N)Cl","FHVYFQDZXQLDDO-UHFFFAOYSA-N",684386,NA,"PDBC49663","772643","Present",NA,NA
+"49664","NSC772654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772654",NA,"C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=C(C=C(C=C3)F)F)C4=NON=C4N","JMSNVUTXNCLSSL-UHFFFAOYSA-N",1130343,NA,"PDBC49664","772654","Present",NA,NA
+"49665","NSC772664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772664",NA,"C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)C4=NON=C4N","VZSANIPPAPURMC-UHFFFAOYSA-N",573353,NA,"PDBC49665","772664","Present",NA,NA
+"49666","NSC772665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772665",NA,"COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N","ILVNNMOVPPCHLU-UHFFFAOYSA-N",1259819,NA,"PDBC49666","772665","Present",NA,NA
+"49667","NSC772666",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772666",NA,"CC(=O)NC1=NON=C1C2=NC3=CC=CC=C3N2CC4=CC(=CC=C4)OC","OWOBXUZZDLQWRD-UHFFFAOYSA-N",4919603,NA,"PDBC49667","772666","Present",NA,NA
+"49668","NSC772751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772751",NA,"C1CCCC(CC1)NC2=NC(=NC=C2C3=CC=C(C=C3)C(F)(F)F)N4C=C(N=N4)COCCN5CCCCC5","CDEUEFGFAHTEBQ-UHFFFAOYSA-N",155811480,NA,"PDBC49668","772751","Present",NA,NA
+"49669","NSC772767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772767",NA,"C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C=NNC(=O)C4=CC(=C(C(=C4)O)O)O","HMLXNAUZAGRSPI-FSJBWODESA-N",155814628,NA,"PDBC49669","772767","Present",NA,NA
+"49670","NSC772797",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772797",NA,"COC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)CN3CCC4=C3C=C5C=C(C(=CC5=N4)OC)OC","RDSYUGKBIWCGPQ-UHFFFAOYSA-N",155814630,NA,"PDBC49670","772797","Present",NA,NA
+"49671","NSC772801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772801",NA,"CC(=NOCC(=O)NC1=CC=C(C=C1)Cl)C=CC2=CC=C(C=C2)OC","WXWCKDUJKIDQBP-DQGRHAAVSA-N",46192177,NA,"PDBC49671","772801","Present",NA,NA
+"49672","NSC772810",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772810",NA,"COC1=CC=C(C=C1)S(=O)(=O)NCCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F","RFAPVDMHPOONKL-UHFFFAOYSA-N",155812797,NA,"PDBC49672","772810","Present",NA,NA
+"49673","NSC772811",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772811",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F","YQSXZOVZLRZMEL-UHFFFAOYSA-N",155816161,NA,"PDBC49673","772811","Present",NA,NA
+"49674","NSC772812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772812",NA,"C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)NCCCNC3=NC=CC(=N3)C4=C(N=C5N4C=CS5)C6=CC=C(C=C6)F","QDDNDXGGVBYUIC-UHFFFAOYSA-N",155811484,NA,"PDBC49674","772812","Present",NA,NA
+"49675","NSC772816",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772816",NA,"C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)F)F","ZJJVLTJPLFITCC-UHFFFAOYSA-N",155814632,NA,"PDBC49675","772816","Present",NA,NA
+"49676","NSC772823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772823",NA,"COC1=C(C=C(C=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)C5=CC6=C(C=C5)OCCO6)Cl","GXKVNCYJWLGREE-UHFFFAOYSA-N",155805223,NA,"PDBC49676","772823","Present",NA,NA
+"49677","NSC772840",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772840",NA,"C1COC2=C(O1)C=CC(=C2)C(=O)NC3=CC(=CC=C3)N4C=C(C(=N4)C5=CC(=C(C=C5)O)Cl)C6=CC=NC=C6","UOMNLBWLQNFDJH-UHFFFAOYSA-N",155806560,NA,"PDBC49677","772840","Present",NA,NA
+"49678","NSC772847",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772847",NA,"C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)C4=CC=CC=C4","LWRQNXSTZONBSC-UHFFFAOYSA-N",73213109,NA,"PDBC49678","772847","Present",NA,NA
+"49679","NSC772850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772850",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C4=C(CCCCC4)C(=O)O3","BKGNSHSNDFIPBN-UHFFFAOYSA-N",73213110,NA,"PDBC49679","772850","Present",NA,NA
+"49680","NSC772873",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772873",NA,"C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)C=CC3=CC(=C(C=C3)O)O","WMWPWPKZDCAISN-KRXBUXKQSA-N",155809701,NA,"PDBC49680","772873","Present",NA,NA
+"49681","NSC772948",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772948",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC(=CC=C4)Br)CCC5=C3C=CC(=C5)O","PZOZZJJKMXVPQP-DJCPXJLLSA-N",57394319,NA,"PDBC49681","772948","Present",NA,NA
+"49682","NSC772949",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772949",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC(=CC=C4)Cl)CCC5=C3C=CC(=C5)O","MNPGVUQHWWFPGC-DJCPXJLLSA-N",57392601,NA,"PDBC49682","772949","Present",NA,NA
+"49683","NSC772950",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772950",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=CC(=C4)F)CCC5=C3C=CC(=C5)O","OWUBXNYDZAARSK-DJCPXJLLSA-N",57393356,NA,"PDBC49683","772950","Present",NA,NA
+"49684","NSC772951",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772951",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=CC(=C4)OC(F)(F)F)CCC5=C3C=CC(=C5)O","CEIITISIORYLFU-DJCPXJLLSA-N",57398652,NA,"PDBC49684","772951","Present",NA,NA
+"49685","NSC772952",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772952",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)CCC5=C3C=CC(=C5)O","YEHQSCJHJOMNQE-DJCPXJLLSA-N",57403822,NA,"PDBC49685","772952","Present",NA,NA
+"49686","NSC772953",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772953",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)Br)CCC5=C3C=CC(=C5)O","ZTASWFRVGNWCHJ-DJCPXJLLSA-N",57394320,NA,"PDBC49686","772953","Present",NA,NA
+"49687","NSC772954",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772954",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)Cl)CCC5=C3C=CC(=C5)O","WACHLGDEQHDDHQ-DJCPXJLLSA-N",57399536,NA,"PDBC49687","772954","Present",NA,NA
+"49688","NSC772956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772956",NA,"CCCC1=CC=C(C=C1)S(=O)(=O)NC2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C","XSRGMVHEMLNSGL-VKINHPFQSA-N",57397829,NA,"PDBC49688","772956","Present",NA,NA
+"49689","NSC772957",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772957",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)CCC5=C3C=CC(=C5)O","HQZPJWKELOBFPP-DJCPXJLLSA-N",57391605,NA,"PDBC49689","772957","Present",NA,NA
+"49690","NSC772958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772958",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)CCC5=C3C=CC(=C5)O","PRMOTXDSPZGYAI-VMBLQBCYSA-N",57390788,NA,"PDBC49690","772958","Present",NA,NA
+"49691","NSC772959",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772959",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)C5=CC=CC=C5)CCC6=C3C=CC(=C6)O","IRYGUSTYEUUNJW-ZNOUKXQUSA-N",57390789,NA,"PDBC49691","772959","Present",NA,NA
+"49692","NSC772960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772960",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)CC4=CC=C(C=C4)Cl)CCC5=C3C=CC(=C5)O","JBFUSIJSXAEMBJ-VAFBSOEGSA-N",155805225,NA,"PDBC49692","772960","Present",NA,NA
+"49693","NSC772961",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772961",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC5=CC=CC=C5C=C4)CCC6=C3C=CC(=C6)O","HSBNAZHPEGSABY-MASCHLQQSA-N",57397893,NA,"PDBC49693","772961","Present",NA,NA
+"49694","NSC772962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772962",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=CC5=C4C=CC=C5N(C)C)CCC6=C3C=CC(=C6)O","GJVDVRNXKYVGMJ-XDLBVFQSSA-N",155811492,NA,"PDBC49694","772962","Present",NA,NA
+"49695","NSC772965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772965",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C)CCC5=C3C=CC(=C5)OS(=O)(=O)O","YVOUUPQGUNFLOM-VMBLQBCYSA-N",155806564,NA,"PDBC49695","772965","Present",NA,NA
+"49696","NSC772970",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772970",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC(=CC=C4)Br)CCC5=C3C=CC(=C5[N+](=O)[O-])O","SKWLDRSDISNIQR-STDWZSPESA-N",122184378,NA,"PDBC49696","772970","Present",NA,NA
+"49697","NSC772971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772971",NA,"CC12CCC3C(C1CCC2NS(=O)(=O)C4=CC=C(C=C4)C(F)(F)F)CCC5=C3C=CC(=C5[N+](=O)[O-])O","QDJRSHDTZHTXPL-STDWZSPESA-N",155812800,NA,"PDBC49697","772971","Present",NA,NA
+"49698","NSC772974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772974",NA,"CSC1=CC=C(C=C1)C2=CC(=NC(=C2)C3=CC=C(C=C3)NC(=O)CCCN4CCCC4)C5=CC=C(C=C5)NC(=O)CCCN6CCCC6","MUSYRHUOELWCGJ-UHFFFAOYSA-N",54757580,NA,"PDBC49698","772974","Present",NA,NA
+"49699","NSC773071",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773071",NA,"CC1=CC(=NC(=N1)N2CCN(CC2)C)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl","VIABYINYYZWVRL-UHFFFAOYSA-N",70684940,NA,"PDBC49699","773071","Present",NA,NA
+"49700","NSC773076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773076",NA,"COC1=CC=C(C=C1)NC2=NC=CC(=N2)N3CCN(CC3)C4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC","LMZJVFZLRONUFY-UHFFFAOYSA-N",155816171,NA,"PDBC49700","773076","Present",NA,NA
+"49701","NSC773201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773201",NA,"CC(=O)N1C(OC(=N1)C2=C(C3=CC=CC=C3C(=C2)OC)OC(=O)C)C4=C(C=C(C=C4)OC(=O)C)OC(=O)C","HARFDKRQUSYJFJ-UHFFFAOYSA-N",155812811,NA,"PDBC49701","773201","Present",NA,NA
+"49702","NSC773228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773228",NA,"CC1=NC2=C(C(=NN2C(=C1)NCC3=CC=CC=N3)C)C4=CC=CC=C4OC","IYXAVWSFOFWKCN-UHFFFAOYSA-N",3355849,NA,"PDBC49702","773228","Present",NA,NA
+"49703","NSC773241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773241",NA,"CC1=C2C(=CC(=C1OC)OC)C(=CC(=O)O2)C3=NC4=CC(=C(C=C4S3)F)Cl","AOEDCXCIURAASG-UHFFFAOYSA-N",155816179,NA,"PDBC49703","773241","Present",NA,NA
+"49704","NSC773242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773242",NA,"COC1=C(C=CC2=C1OC(=O)C=C2C3=NC4=CC(=C(C=C4S3)F)Cl)Cl","MFQNEVYQIVXTFH-UHFFFAOYSA-N",155808400,NA,"PDBC49704","773242","Present",NA,NA
+"49705","NSC773381",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773381",NA,"CN1CCC2=C(C3=CC=CC=C3N2C1)SC4=CC=C(C=C4)C(=O)NO","OTCAYORIAOVCNJ-UHFFFAOYSA-N",71565457,NA,"PDBC49705","773381","Present",NA,NA
+"49706","NSC773382",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773382",NA,"CC1=CC2=C(C=C1)N3CN(CCC3=C2SC4=CC=C(C=C4)C(=O)NO)C","FDPQIRJFFJJTOA-UHFFFAOYSA-N",71586621,NA,"PDBC49706","773382","Present",NA,NA
+"49707","NSC773383",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773383",NA,"CN1CCN2C3=CC=CC=C3C(=C2C1=O)SC4=CC=C(C=C4)C(=O)NO","AENCPHFVDUWAGO-UHFFFAOYSA-N",71585443,NA,"PDBC49707","773383","Present",NA,NA
+"49708","NSC773385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773385",NA,"CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CC5(C4)CNC5)N","QYCCMZVRTHGSBB-GFCCVEGCSA-N",71239608,NA,"PDBC49708","773385","Present",NA,NA
+"49709","NSC773386",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773386",NA,"CC(C1=C(C=CC(=C1Cl)Cl)F)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CC5(C4)CCNCC5)N","SLWPAOADXVOJPY-CQSZACIVSA-N",155814650,NA,"PDBC49709","773386","Present",NA,NA
+"49710","NSC773387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773387",NA,"C=CC(=O)N1CC2(C1)CC(C2)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N","MDOOZFHNLMQRHG-UHFFFAOYSA-N",71660509,NA,"PDBC49710","773387","Present",NA,NA
+"49711","NSC773388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773388",NA,"C=CC(=O)N1CC2(C1)CCC(CC2)N3C4=NC=NC(=C4C(=N3)C5=CC=C(C=C5)OC6=CC=CC=C6)N","ISDIBDPXVWNENH-UHFFFAOYSA-N",71668077,NA,"PDBC49711","773388","Present",NA,NA
+"49712","NSC773389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773389",NA,"CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CC5(C4)CCCNC5)N","WUIOBNGTWSVFMF-FLORGGSBSA-N",71239833,NA,"PDBC49712","773389","Present",NA,NA
+"49713","NSC774662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774662",NA,"COC1=CC=C(C=C1)C2=CC=C(S2)C3=CC(=C(C=C3)C(=N)N)F","XEQZCHURPCKGAW-UHFFFAOYSA-N",137638782,NA,"PDBC49713","774662","Present",NA,NA
+"49714","NSC774664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774664",NA,"COC1=CC(=CC(=C1)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N)OC","QMGLAYYRKPJRIH-UHFFFAOYSA-N",155809719,NA,"PDBC49714","774664","Present",NA,NA
+"49715","NSC774666",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774666",NA,"CN(C)C1=CC=C(C=C1)C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N","JHROPHJJWBACCP-UHFFFAOYSA-N",155805242,NA,"PDBC49715","774666","Present",NA,NA
+"49716","NSC774667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774667",NA,"C1=CC(=CC=C1C2=CC=C(O2)C3=NC=C(C=C3)C(=N)N)Cl","XLFBGHGJGRSSPY-UHFFFAOYSA-N",155811507,NA,"PDBC49716","774667","Present",NA,NA
+"49717","NSC774668",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774668",NA,"C1=CC(=NC=C1C(=N)N)C2=CC=C(O2)C3=CC(=CC(=C3)Cl)Cl","GMKQTGNEJKLCET-UHFFFAOYSA-N",155805243,NA,"PDBC49717","774668","Present",NA,NA
+"49718","NSC774686",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774686",NA,NA,NA,NA,NA,"PDBC49718","774686","Present",NA,NA
+"49719","NSC774702",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774702",NA,"COC1=CC=C(C=C1)C2=C(NN=C2)C3=CC4=C(C(=C3)OC)OCCO4","DVOUCXIFICMZGC-UHFFFAOYSA-N",91973331,NA,"PDBC49719","774702","Present",NA,NA
+"49720","NSC774714",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774714",NA,"C1=CC=C2C(=C1)N=C(N2CC3=CC(=CC=C3)Br)C4=NON=C4N","NSIJURZMDSCFBL-UHFFFAOYSA-N",1239239,NA,"PDBC49720","774714","Present",NA,NA
+"49721","NSC774717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774717",NA,"C1=CC=C2C(=C1)N=C(N2CC(=O)NC3=CC(=C(C=C3)F)F)C4=NON=C4N","RKDKILJBYDCMPH-UHFFFAOYSA-N",628691,NA,"PDBC49721","774717","Present",NA,NA
+"49722","NSC774719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774719",NA,"CC1=C(C=C(C=C1)CN2C3=CC=CC=C3N=C2C4=NON=C4N)OC","SNAHHWCKTZHBIF-UHFFFAOYSA-N",715538,NA,"PDBC49722","774719","Present",NA,NA
+"49723","NSC774730",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774730",NA,"CC1=C(N2C=CSC2=N1)C3=CSC(=N3)NC4=C(C=CC(=C4)OC)OC","UFXBHBODJVWXAU-UHFFFAOYSA-N",1144692,NA,"PDBC49723","774730","Present",NA,NA
+"49724","NSC774736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774736",NA,"COC1=CC=C(C=C1)C2=C(N3C(=CC=N3)N=C2)C4=CC(=C(C(=C4)OC)OC)OC","DBNDVUHQTNPNKO-UHFFFAOYSA-N",91973365,NA,"PDBC49724","774736","Present",NA,NA
+"49725","NSC774775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774775",NA,"CC1=C(C(=NC(=N1)NC2=NC3=CC=CC=C3O2)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)NC5=CC(=C(C=C5)F)Cl","TUECRSIFQUKGJF-UHFFFAOYSA-N",155811510,NA,"PDBC49725","774775","Present",NA,NA
+"49726","NSC774788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774788",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C4=C(CCCCCC4)C(=O)O3","JCZPJUZPYAFEPZ-UHFFFAOYSA-N",73213193,NA,"PDBC49726","774788","Present",NA,NA
+"49727","NSC774793",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774793",NA,"COC1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)F","YSCXRPACUPGLEB-UHFFFAOYSA-N",155811511,NA,"PDBC49727","774793","Present",NA,NA
+"49728","NSC774802",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774802",NA,"C1=CC(=CC=C1C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F)F)Cl","CZIJPNJGTAZLHW-UHFFFAOYSA-N",155812823,NA,"PDBC49728","774802","Present",NA,NA
+"49729","NSC774809",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774809",NA,"C1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)F","LRZMEMMYVACYMI-UHFFFAOYSA-N",155806581,NA,"PDBC49729","774809","Present",NA,NA
+"49730","NSC774838",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774838",NA,"CC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)C)C2=O)CC4=CN(N=N4)CCNC5=C6C=CC(=CC6=NC=C5)Cl","LPFZIHMVUJIGJF-POAOKBCDSA-N",73050938,NA,"PDBC49730","774838","Present",NA,NA
+"49731","NSC774839",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774839",NA,"C1C(=CC2=CC=C(C=C2)F)C(=O)C(=CC3=CC=C(C=C3)F)CN1CC4=CN(N=N4)CCNC5=C6C=CC(=CC6=NC=C5)Cl","COZVRRFUECBDMB-FEZYOMQXSA-N",73051239,NA,"PDBC49731","774839","Present",NA,NA
+"49732","NSC774840",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774840",NA,"C1C(=CC2=CC=C(C=C2)Cl)C(=O)C(=CC3=CC=C(C=C3)Cl)CN1CC4=CN(N=N4)CCCNC5=C6C=CC(=CC6=NC=C5)Cl","PUKFSPOXBOPJFM-ZZZAPRPPSA-N",73051544,NA,"PDBC49732","774840","Present",NA,NA
+"49733","NSC774841",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774841",NA,"COC1=CC=C(C=C1)C=C2CN(CC(=CC3=CC=C(C=C3)OC)C2=O)CC4=CN(N=N4)CCCNC5=C6C=CC(=CC6=NC=C5)Cl","NELXSVCJSBSDAH-UKOHILRMSA-N",73051390,NA,"PDBC49733","774841","Present",NA,NA
+"49734","NSC774842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774842",NA,"COC1=C(C=C(C=C1)C=C2CN(CC(=CC3=CC(=C(C=C3)OC)OC)C2=O)CC4=CN(N=N4)CCCNC5=C6C=CC(=CC6=NC=C5)Cl)OC","XOEAQANKRUMQEK-ODBZBXGJSA-N",73051391,NA,"PDBC49734","774842","Present",NA,NA
+"49735","NSC774846",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774846",NA,"COC1=CC(=CC(=C1OC)OC)C2=NN(C(C2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)S(=O)(=O)N","DSBPHRGKYCJAIW-UHFFFAOYSA-N",155812825,NA,"PDBC49735","774846","Present",NA,NA
+"49736","NSC774857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774857",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)N6CCCC6","PLHXQVWQFFPPCT-UHFFFAOYSA-N",127041312,NA,"PDBC49736","774857","Present",NA,NA
+"49737","NSC774862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774862",NA,"CC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)F)C6=CC=C(C=C6)OC","VVLWMJLHVYCQTB-UHFFFAOYSA-N",127041912,NA,"PDBC49737","774862","Present",NA,NA
+"49738","NSC774912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774912",NA,"C1=CNC(=C1)C=C2C3=C(C=CC(=C3)NC(=O)CCCCCCC(=O)NO)NC2=O","BYONQPGKUFXDPQ-ATVHPVEESA-N",56932477,NA,"PDBC49738","774912","Present",NA,NA
+"49739","NSC774918",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774918",NA,"C1=CC=C(C(=C1)N)NC(=O)CCCCCCC(=O)NC2=CC3=C(C=C2)NC(=O)C3=CC4=CC=CN4","YBIREACTYDYGTB-PGMHBOJBSA-N",101882857,NA,"PDBC49739","774918","Present",NA,NA
+"49740","NSC775014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775014",NA,"COC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC","LJJUNMWDURTMQG-SREVYHEPSA-N",121304383,NA,"PDBC49740","775014","Present",NA,NA
+"49741","NSC775291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775291",NA,"CC1=CC(=NC(=N1)NCCCNC2=C3C=CC(=CC3=NC=C2)Cl)NC4=CC=C(C=C4)OC","UOCKWYAEOPMTLA-UHFFFAOYSA-N",117826060,NA,"PDBC49741","775291","Present",NA,NA
+"49742","NSC775293",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775293",NA,"COC1=CC=C(C=C1)NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl","KHTSZJJMTVHZDV-UHFFFAOYSA-N",117826054,NA,"PDBC49742","775293","Present",NA,NA
+"49743","NSC775297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775297",NA,"C1=CC(=CC=C1NC2=NC(=NC=C2)NCCCNC3=C4C=CC(=CC4=NC=C3)Cl)Cl","DTIQPDAPXYMPGT-UHFFFAOYSA-N",117826051,NA,"PDBC49743","775297","Present",NA,NA
+"49744","NSC775299",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775299",NA,"CC1=CC(=NC(=N1)NCCCNC2=C3C=CC(=CC3=NC=C2)Cl)NC4=CC=C(C=C4)Cl","ZVAHZSDSQDHLGK-UHFFFAOYSA-N",117826056,NA,"PDBC49744","775299","Present",NA,NA
+"49745","NSC775460",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775460",NA,"CCN(CC)C1=C2C=C(C(=CC2=NC(=C1)C=CC3=CC(=C(C=C3)OC)OC)F)F","BVPPRFMVCNXNEO-VQHVLOKHSA-N",155805262,NA,"PDBC49745","775460","Present",NA,NA
+"49746","NSC775463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775463",NA,"C1COCCN1C2=C3C=C(C(=CC3=NC(=C2)C=CC4=CC=C(C=C4)Cl)Cl)Cl","NCLSBRIUEPQVHW-ZZXKWVIFSA-N",155809740,NA,"PDBC49746","775463","Present",NA,NA
+"49747","NSC775464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775464",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C3C=C(C(=CC3=N2)F)F)N4CCOCC4)OC","MPXHWECGLGPMFL-HWKANZROSA-N",155812846,NA,"PDBC49747","775464","Present",NA,NA
+"49748","NSC775467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775467",NA,"COC1=C(C=C(C=C1)C=CC2=NC3=CC(=C(C=C3C(=N2)N4CCOCC4)F)F)OC","XOAQDSYZDKCBQK-GQCTYLIASA-N",155805264,NA,"PDBC49748","775467","Present",NA,NA
+"49749","NSC775733",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775733",NA,"COC1=CC(=CC(=C1OC)OC)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=C(C=C4)Cl","DOCZLPTYIMZMNK-UHFFFAOYSA-N",155811536,NA,"PDBC49749","775733","Present",NA,NA
+"49750","NSC775739",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775739",NA,"COC1=CC(=CC(=C1OC)OC)CNC(=O)CCSC2=NC3=CC=CC=C3C(=O)N2CC4=CC(=C(C(=C4)OC)OC)OC","UMGLNKOMPSKNBG-UHFFFAOYSA-N",155808427,NA,"PDBC49750","775739","Present",NA,NA
+"49751","NSC775760",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775760",NA,"CC1=C(NC(=C1C(=O)CCCCC(=O)OC2=CC3=C(C=C2)C4CCC5(C(C4CC3)CCC5O)C)C)C=C6C(=CC(=N6)C7=CC=CN7)OC","ZNLNKMVLYYHWDU-JUITVDJYSA-N",155809748,NA,"PDBC49751","775760","Present",NA,NA
+"49752","NSC775761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775761",NA,"CC1=C(NC(=C1C(=O)CCC(=O)OC2=CC3=C(C=C2)C4CCC5(C(C4CC3)CCC5O)C)C)C=C6C(=CC(=N6)C7=CC=CN7)OC","YMKPOHWXVJSWFE-GTGKIEQBSA-N",155812857,NA,"PDBC49752","775761","Present",NA,NA
+"49753","NSC775762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775762",NA,NA,NA,NA,NA,"PDBC49753","775762","Present",NA,NA
+"49754","NSC775763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775763",NA,"CCCCCC1=C(NC(=C1C)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C","UJWLAEMYBNPDMI-VAJFZCPGSA-N",155816202,NA,"PDBC49754","775763","Present",NA,NA
+"49755","NSC775905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775905",NA,"B(C(CC(C)C)NC(=O)C=CCN1C=CC2=CC=CC=C2C1=O)(O)O","YDIGIFKDEAQQQC-WHWKNOJMSA-N",155805272,NA,"PDBC49755","775905","Present",NA,NA
+"49756","NSC775919",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775919",NA,"CC(=CCCC(=CCCC1=COC=C1)C)CCCN2CCOCC2","JIIGNEHBPAVUNX-XVWUSZKISA-N",155805274,NA,"PDBC49756","775919","Present",NA,NA
+"49757","NSC775978",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775978",NA,"COC1=CC=C(C=C1)C2=C(ON=C2)C3=CC4=C(C(=C3)OC)OCCO4","CXPSBTZKZXYZNU-UHFFFAOYSA-N",91973336,NA,"PDBC49757","775978","Present",NA,NA
+"49758","NSC775993",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC775993",NA,"COC1=CC=CC=C1C2=NC3=C(C=C2)C(=C(S3)C(=O)C4=CC5=C(C=C4)OCO5)N","BMWJAYTXXQBSGO-UHFFFAOYSA-N",45490335,NA,"PDBC49758","775993","Present",NA,NA
+"49759","NSC776002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776002",NA,"C1=CC2=C(C(=C1)NC(=O)C3=C(C=C(C=C3)Br)F)N=C(N2)C(F)(F)F","WSIXYCTZKAVNFC-UHFFFAOYSA-N",1511769,NA,"PDBC49759","776002","Present",NA,NA
+"49760","NSC776008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776008",NA,"CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=C(N=C4N3C=CC=N4)C","ZDZIMAFZTGCFOH-UHFFFAOYSA-N",1117188,NA,"PDBC49760","776008","Present",NA,NA
+"49761","NSC776015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776015",NA,"C1=CC=C(C=C1)C2=CC(=O)N(N2)C3=NC4=CC=CC=C4N3","ZQVWBWDSXXBVDK-UHFFFAOYSA-N",664409,NA,"PDBC49761","776015","Present",NA,NA
+"49762","NSC776445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776445",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C3CC(=NN3C=O)C4=CC=C(C=C4)OC)OC","OTECXOKQYAOQOI-UHFFFAOYSA-N",155806609,NA,"PDBC49762","776445","Present",NA,NA
+"49763","NSC776452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776452",NA,"COC1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","ROSNJQLTTBEFFX-UHFFFAOYSA-N",155806611,NA,"PDBC49763","776452","Present",NA,NA
+"49764","NSC776453",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776453",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C3=CC=CC=C3)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","DHTWJAHHBCNMDN-UHFFFAOYSA-N",155816208,NA,"PDBC49764","776453","Present",NA,NA
+"49765","NSC776455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776455",NA,"COC1=CC=C(C=C1)C2CC(=NN2C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","BDHURAVMYGMWPM-UHFFFAOYSA-N",155805278,NA,"PDBC49765","776455","Present",NA,NA
+"49766","NSC776456",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776456",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","JEJLKEDWPYMTHA-UHFFFAOYSA-N",155811545,NA,"PDBC49766","776456","Present",NA,NA
+"49767","NSC776467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776467",NA,"C1C(NC2=NC(=NC(=C2N=C1C3=CC=CC=C3)N)N)C4=C(N=C(S4)Cl)Cl","WYUKCGZVMOYEDC-UHFFFAOYSA-N",118732447,NA,"PDBC49767","776467","Present",NA,NA
+"49768","NSC776469",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776469",NA,"C1C(NC2=NC(=NC(=C2N=C1C3=CC4=C(C=C3)OCO4)N)N)C5=C(N=C(S5)Cl)Cl","DEHIDZSSYWOFAM-UHFFFAOYSA-N",118732453,NA,"PDBC49768","776469","Present",NA,NA
+"49769","NSC776477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776477",NA,"CC1=CC=C(C=C1)C2=NN(C(C2)C3=CN(N=C3C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)Cl)C7=CC=CC=C7)C(=O)C","GKUFESRACBUDPS-UHFFFAOYSA-N",155816213,NA,"PDBC49769","776477","Present",NA,NA
+"49770","NSC776480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776480",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)NC5=C6C=CC(=CC6=NC=C5)Cl","QHGLZMFCGNUTSF-UHFFFAOYSA-N",155811547,NA,"PDBC49770","776480","Present",NA,NA
+"49771","NSC776678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776678",NA,"CC1=CC(=NC2=C1C3=C(S2)C(=NC=N3)NC4=CC=C(C=C4)Cl)C","WYMHRCSVXKPCRS-UHFFFAOYSA-N",132524182,NA,"PDBC49771","776678","Present",NA,NA
+"49772","NSC776733",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776733",NA,"CC1=NN2C(C3=C(C(=CC4=CC(=C(C=C4)OC)OC)CCC3)N=C2S1)C5=CC(=C(C=C5)OC)OC","MEWOMPXVIDZRSU-QGOAFFKASA-N",155808432,NA,"PDBC49772","776733","Present",NA,NA
+"49773","NSC776744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776744",NA,"COC1=C(C=C(C=C1)C=C2CCCC3=C2N=C4N(C3C5=CC(=C(C=C5)OC)OC)N=CS4)OC","APZROMZOLPUZAC-SFQUDFHCSA-N",155816219,NA,"PDBC49773","776744","Present",NA,NA
+"49774","NSC776788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776788",NA,"CC1=NN2C(C3=C(C(=CC4=CC(=C(C(=C4)OC)OC)OC)CCC3)N=C2S1)C5=CC(=C(C(=C5)OC)OC)OC","HBMVSMPVKORFSO-WOJGMQOQSA-N",155814688,NA,"PDBC49774","776788","Present",NA,NA
+"49775","NSC776818",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776818",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C(CCC2=O)C(=O)NC3=CC=C(C=C3)Br","LTBBVAWWKFFRQH-UHFFFAOYSA-N",155809761,NA,"PDBC49775","776818","Present",NA,NA
+"49776","NSC776874",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776874",NA,"C1CN(CCN1C2=C3C=CC(=CC3=NC=C2)Cl)C4=NC=CC(=N4)NC5=CC=C(C=C5)Cl","KCJPBVRKFJGIRC-UHFFFAOYSA-N",117827343,NA,"PDBC49776","776874","Present",NA,NA
+"49777","NSC776875",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776875",NA,"C1CCC(CC1)NC2=NC=CC(=N2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl","RHIKTNLBIFVJHV-UHFFFAOYSA-N",117827344,NA,"PDBC49777","776875","Present",NA,NA
+"49778","NSC776877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776877",NA,"CC1=CC(=NC(=N1)NC2CCCCC2)N3CCN(CC3)C4=C5C=CC(=CC5=NC=C4)Cl","GOFRMCLRQCRQTI-UHFFFAOYSA-N",117827352,NA,"PDBC49778","776877","Present",NA,NA
+"49779","NSC776878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776878",NA,"CC1=CC(=NC(=N1)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)NC5=CC(=CC(=C5)OC)OC","URRHSCSKLMBQLO-UHFFFAOYSA-N",117827307,NA,"PDBC49779","776878","Present",NA,NA
+"49780","NSC776879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776879",NA,"CC1=CC(=NC(=N1)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)NC5=CC=C(C=C5)OC","KRUHDRMYMCZUMX-UHFFFAOYSA-N",117827519,NA,"PDBC49780","776879","Present",NA,NA
+"49781","NSC776990",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776990",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N(CC2=CC=CC=C2)C3(CCN(CC3)CC4=CC=CC=C4)C(=O)NCC5=CC=CC=C5","IKBYBHBSZPXPIL-BHVANESWSA-N",90681620,NA,"PDBC49781","776990","Present",NA,NA
+"49782","NSC776999",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC776999",NA,"B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N2C=CC(=CC2=O)NC3=CC=CC=C3)(O)O","RPGWLEZIJQWSOZ-PKTZIBPZSA-N",155805291,NA,"PDBC49782","776999","Present",NA,NA
+"49783","NSC777000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777000",NA,"B(C(CC(C)C)NC(=O)CN1C=CC=C(C1=O)CNC(=O)C2=CC=CC=C2)(O)O","PZGXLHPXJUCDHZ-KRWDZBQOSA-N",155816224,NA,"PDBC49783","777000","Present",NA,NA
+"49784","NSC777001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777001",NA,"B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)N2C=CC(=CC2=O)N3CCCCC3)(O)O","ZTNKUCDISQRJAN-VXKWHMMOSA-N",155806625,NA,"PDBC49784","777001","Present",NA,NA
+"49785","NSC777002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777002",NA,"B(C(CC(C)C)NC(=O)CN1C=CC(=CC1=O)NCC2=CC=CC=C2)(O)O","NQCGUMKWRSTBKL-KRWDZBQOSA-N",155816225,NA,"PDBC49785","777002","Present",NA,NA
+"49786","NSC777123",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777123",NA,"CC1=CC(=NC(=N1)N2CCN(CC2)C3=C4C=CC(=CC4=NC=C3)Cl)NC5=CC=C(C=C5)F","WBCSZYABXFZBIK-UHFFFAOYSA-N",117827520,NA,"PDBC49786","777123","Present",NA,NA
+"49787","NSC777191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777191",NA,"CC(C)CNC(=O)C1=CC(=C(C=C1)NC(=O)N(CC(C)C)C(=O)C2=CC(=C(C=C2)N)OCCCN)OCCCN=C(N)N","RJYVBWMPGBRODD-UHFFFAOYSA-N",155808440,NA,"PDBC49787","777191","Present",NA,NA
+"49788","NSC777192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777192",NA,"CC(C)OC1=CC(=CC(=C1)OCC(=O)O)C(=O)N(CCC(=O)N)C(=O)NC2=C(C=C(C=C2)C(=O)O)OC(C)C","SAZQYLWRYPVAGO-UHFFFAOYSA-N",155805297,NA,"PDBC49788","777192","Present",NA,NA
+"49789","NSC777304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777304",NA,"C1=CC(=CC=C1C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl)F)Cl","JPSJJUHQASLOBN-UHFFFAOYSA-N",155814706,NA,"PDBC49789","777304","Present",NA,NA
+"49790","NSC777306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777306",NA,"CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)C4=C(CCCCC4)C(=O)O3","CASREVCQIRCPJB-UHFFFAOYSA-N",155808441,NA,"PDBC49790","777306","Present",NA,NA
+"49791","NSC777312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777312",NA,"C1CCC2=C(CC1)C(=O)OC3=C2C=CC(=C3)OS(=O)(=O)C4=CC=C(C=C4)F","BGFQQUWPIHKHKK-UHFFFAOYSA-N",155816231,NA,"PDBC49791","777312","Present",NA,NA
+"49792","NSC777323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777323",NA,"C1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC=CC(=C4)C(F)(F)F)F","MZOQEWBNFMWZMD-UHFFFAOYSA-N",155812882,NA,"PDBC49792","777323","Present",NA,NA
+"49793","NSC777332",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777332",NA,"COC1=CC=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)F","BMPNTUNHNVJUNF-UHFFFAOYSA-N",155805300,NA,"PDBC49793","777332","Present",NA,NA
+"49794","NSC777333",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777333",NA,"C1=CC(=CC=C1C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)F)Cl","JYKWJMYHMSGBPM-UHFFFAOYSA-N",155816233,NA,"PDBC49794","777333","Present",NA,NA
+"49795","NSC777464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777464",NA,"C1=CC2=C(C(=C1)NC(=O)C3=C(C=CC(=C3)Cl)Cl)N=C(N2)C(F)(F)F","ZMLKUQHUEKYICV-UHFFFAOYSA-N",5298790,NA,"PDBC49795","777464","Present",NA,NA
+"49796","NSC777484",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777484",NA,"C1=CC(=CC=C1NC2=NC3=NON=C3N=C2NC4=CC=C(C=C4)F)F","YZIQCRJJYTYRFD-UHFFFAOYSA-N",698543,NA,"PDBC49796","777484","Present",NA,NA
+"49797","NSC777486",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777486",NA,"COC1=CC=C(C2=CC=CC=C21)C3=NC4=C(C5=C(S4)CCCC5)C(=O)N3","XPMLDKVBJLRJJO-UHFFFAOYSA-N",1037819,NA,"PDBC49797","777486","Present",NA,NA
+"49798","NSC777495",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777495",NA,"COC1=CC(=C(C=C1)OC)NC2=NC3=NON=C3N=C2NC4=CC(=CC=C4)Br","WRYICVOGEPNDKU-UHFFFAOYSA-N",1252867,NA,"PDBC49798","777495","Present",NA,NA
+"49799","NSC777506",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777506",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC3=C(C(=C2)OC)OCC(=O)N3","LERZILDGTGAMIX-FPYGCLRLSA-N",91973514,NA,"PDBC49799","777506","Present",NA,NA
+"49800","NSC777534",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777534",NA,"CC1=CC=CC=C1S(=O)(=O)N2C(C=C(C2C3=CC=C(C=C3)Cl)C(=O)NC(CC4=CC=CC=C4)C(=O)N)C(C)(C)C","CUNKAJLTIPWYJR-KJYTXNCISA-N",124425167,NA,"PDBC49800","777534","Present",NA,NA
+"49801","NSC777737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777737",NA,"C1=CC(=CC(=C1)F)COC2=C(C=C3C(=C2)C=NC=N3)NC(=O)NC4=CC(=CC=C4)Cl","JSFRGVABCDURED-UHFFFAOYSA-N",142729121,NA,"PDBC49801","777737","Present",NA,NA
+"49802","NSC777886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777886",NA,"B(C(CC(C)C)NC(=O)CCN1C=CC2=CC=CC=C2C1=O)(O)O","QCKLWTRAVKQTPI-HNNXBMFYSA-N",90645049,NA,"PDBC49802","777886","Present",NA,NA
+"49803","NSC777944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777944",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)C3=CC=C(C=C3)Cl)C=CC4=CC(=C(C=C4)O)OC)O","LWZFYJYBKALKSD-HMMKTVFPSA-N",155805311,NA,"PDBC49803","777944","Present",NA,NA
+"49804","NSC777945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777945",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)CC3=CC=CC=C3)C=CC4=CC(=C(C=C4)O)OC)O","XDJACOZCPZTTPJ-QHKWOANTSA-N",155816241,NA,"PDBC49804","777945","Present",NA,NA
+"49805","NSC777946",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777946",NA,"COC1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC","XYXBVASAGYMYPQ-ZVSIBQGLSA-N",155811574,NA,"PDBC49805","777946","Present",NA,NA
+"49806","NSC777947",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777947",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)N)C=CC3=CC(=C(C=C3)O)OC)O","HVTSVGLLJGNWME-FCXRPNKRSA-N",135857202,NA,"PDBC49806","777947","Present",NA,NA
+"49807","NSC778301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778301",NA,"CC1=C(C(=C(S1)C)C2=CC=C(O2)CO)C3=CC=C(O3)CO","YIYYZJJTYZQLSG-UHFFFAOYSA-N",155809789,NA,"PDBC49807","778301","Present",NA,NA
+"49808","NSC778351",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778351",NA,"CCCCCCCC(CC(=O)NC(CCCCN)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)N4CCCC4C(=O)NC(CCCCN)C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CC(C)C)C(=O)NC(CC6=CNC=N6)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC7=CC=CC=C7)C(=O)O)O","LWWBKIQUGZBWNR-WOZCRJSDSA-N",155812899,NA,"PDBC49808","778351","Present",NA,NA
+"49809","NSC778436",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778436",NA,"CN(C)CC(=O)NC1=CC=C(C=C1)CN2C3=C(C(=O)C4=C(C3=O)N=NN4CC5=CC=C(C=C5)NC(=O)CN(C)C)N=N2","ZXBJORKVVITKOZ-UHFFFAOYSA-N",155808462,NA,"PDBC49809","778436","Present",NA,NA
+"49810","NSC778437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778437",NA,"C1COCCN1CCC(=O)NC2=CC=C(C=C2)CN3C4=C(C(=O)C5=C(C4=O)N=NN5CC6=CC=C(C=C6)NC(=O)CCN7CCOCC7)N=N3","IUWAGERQLWLXRX-UHFFFAOYSA-N",155809793,NA,"PDBC49810","778437","Present",NA,NA
+"49811","NSC778438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778438",NA,"CCN(CC)CCC(=O)NC1=CC=C(C=C1)CN2C3=C(C(=O)C4=C(C3=O)N=NN4CC5=CC=C(C=C5)NC(=O)CCN(CC)CC)N=N2","TXZCVDVMSSUSFX-UHFFFAOYSA-N",155814732,NA,"PDBC49811","778438","Present",NA,NA
+"49812","NSC778439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778439",NA,"C1COCCN1CC(=O)NC2=CC=C(C=C2)CN3C4=C(C(=O)C5=C(C4=O)N=NN5CC6=CC=C(C=C6)NC(=O)CN7CCOCC7)N=N3","RBVPOITYPIPPMO-UHFFFAOYSA-N",155812901,NA,"PDBC49812","778439","Present",NA,NA
+"49813","NSC778440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778440",NA,"C1COCCN1CCCC(=O)NC2=CC=C(C=C2)CN3C4=C(C(=O)C5=C(C4=O)N=NN5CC6=CC=C(C=C6)NC(=O)CCCN7CCOCC7)N=N3","CHEJEXFPLZYKQC-UHFFFAOYSA-N",155809794,NA,"PDBC49813","778440","Present",NA,NA
+"49814","NSC778441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778441",NA,"C1COCCN1CCCCC(=O)NC2=CC=C(C=C2)CN3C4=C(C(=O)C5=C(C4=O)N=NN5CC6=CC=C(C=C6)NC(=O)CCCCN7CCOCC7)N=N3","YVEFYWRMXOWVOA-UHFFFAOYSA-N",155812902,NA,"PDBC49814","778441","Present",NA,NA
+"49815","NSC778442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778442",NA,"CN(C)CCCC(=O)NC1=CC=C(C=C1)CN2C3=C(C(=O)C4=C(C3=O)N=NN4CC5=CC=C(C=C5)NC(=O)CCCN(C)C)N=N2","JFXLWAKPLGPIMV-UHFFFAOYSA-N",155809795,NA,"PDBC49815","778442","Present",NA,NA
+"49816","NSC778538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778538",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)N4CCN(CC4)C5=NC(=NC=C5)N6CCOCC6","VIFXJRIMBXRUQP-UHFFFAOYSA-N",155814735,NA,"PDBC49816","778538","Present",NA,NA
+"49817","NSC778540",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778540",NA,"CN1CCN(CC1)C2=NC=CC(=N2)N3CCN(CC3)C4=C5C=C(C=CC5=NC6=C4C=CC(=C6)Cl)OC","XJGNHTOSMDVKIT-UHFFFAOYSA-N",155816247,NA,"PDBC49817","778540","Present",NA,NA
+"49818","NSC778556",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778556",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=C(C3=C(C(=C2Cl)OC)OCC(=O)N3)Cl","MXBKBEXWQUUBAE-BQYQJAHWSA-N",91973339,NA,"PDBC49818","778556","Present",NA,NA
+"49819","NSC778566",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778566",NA,"CC(=O)N1CC(=CC1=O)NC2=CC=C(C=C2)OC(F)(F)F","OCINPTWXAIUVQY-UHFFFAOYSA-N",91973231,NA,"PDBC49819","778566","Present",NA,NA
+"49820","NSC778665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778665",NA,"CC1=C(NC(=C1C(=O)CCCCCCCCC(=O)OC2CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C)C)C=C6C(=CC(=N6)C7=CC=CN7)OC","BNEUDTMOUTXWLP-XJTFCQMLSA-N",155811585,NA,"PDBC49820","778665","Present",NA,NA
+"49821","NSC778770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778770",NA,"C1=CC2=C(N=C1)SC3=C2N=CN=C3NC4=C(C=C(C=C4)Cl)Cl","HMTYGWWFWIGTBL-UHFFFAOYSA-N",155809797,NA,"PDBC49821","778770","Present",NA,NA
+"49822","NSC778776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC778776",NA,"C1=CC2=C(N=C1)SC3=C2N=CN=C3NC4=CC=C(C=C4)O","YHOKCCHNYKMRGK-UHFFFAOYSA-N",110435127,NA,"PDBC49822","778776","Present",NA,NA
+"49823","NSC779185",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC779185",NA,NA,NA,NA,NA,"PDBC49823","779185","Present",NA,NA
+"49824","NSC779306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC779306",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C3=CC(=O)C4=C(C(=C(C=C4O3)OC)OC)OC","OSNQHJORPIKFIV-UHFFFAOYSA-N",142727304,NA,"PDBC49824","779306","Present",NA,NA
+"49825","NSC779388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC779388",NA,"C1=CC(=CC=C1C2=NN=C(O2)COC3=C(C=C(C=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F)F)Cl","KTVJHINLHHYGIU-UHFFFAOYSA-N",155813167,NA,"PDBC49825","779388","Present",NA,NA
+"49826","NSC779393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC779393",NA,"C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)OC4=CC=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F","OBPJYXHIFUJYPS-UHFFFAOYSA-N",155805335,NA,"PDBC49826","779393","Present",NA,NA
+"49827","NSC779401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC779401",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(CCC(=O)NC2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","VGVPFRCBGFKDGZ-UHFFFAOYSA-N",155805336,NA,"PDBC49827","779401","Present",NA,NA
+"49828","NSC780182",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780182",NA,"COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC","UZKKILPKTGXAIO-FPLPWBNLSA-N",132114229,NA,"PDBC49828","780182","Present",NA,NA
+"49829","NSC780184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780184",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2O)OC)C=CC3=CC(=C(C(=C3)OC)OC)OC","ZBVAZQZIWKBQSC-HJWRWDBZSA-N",132113940,NA,"PDBC49829","780184","Present",NA,NA
+"49830","NSC780423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780423",NA,"CC(C)C1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C(C)C)OC(=O)C=CC4=CC=CC=C4","DBUNANQJITZEGC-OEQSYINVSA-N",155813728,NA,"PDBC49830","780423","Present",NA,NA
+"49831","NSC780576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780576",NA,"CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC(=C(C3=CC=CC=C32)O)C4=C(C=CC5=CC=CC=C54)O","NLZLIUCRXRXNOP-UHFFFAOYSA-N",2211741,NA,"PDBC49831","780576","Present",NA,NA
+"49832","NSC780876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780876",NA,"CN(C1CCCCC1)C2=C(C=C3C(=C2)N=CC(=O)N3)NC(=NCC4=CC=C(C=C4)Cl)N","TXWASLYBJIVVNP-UHFFFAOYSA-N",53465543,NA,"PDBC49832","780876","Present",NA,NA
+"49833","NSC780931",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780931",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCCCNC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","LYTQQLYWFOFSTN-IPZJNBEYSA-N",121390856,NA,"PDBC49833","780931","Present",NA,NA
+"49834","NSC780985",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780985",NA,"CC1=C2C3=CC(=C(N=C3)OC)NS(=O)(=O)C4=CC=CC(=C4)C(=O)NCC5=CC=C(S5)C6=NC=NC1=C6S2","LPJAKJUVEMSSSX-UHFFFAOYSA-N",71041613,NA,"PDBC49834","780985","Present",NA,NA
+"49835","NSC781076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781076",NA,"CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=CC=CC=C4N)C)C","CKJOMRSASMGWLL-BTYYGVTHSA-N",129047088,NA,"PDBC49835","781076","Present",NA,NA
+"49836","NSC781077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781077",NA,"CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=CC=C(C=C4)N)C)C","GEICLPFKYPNBGR-BTYYGVTHSA-N",129047076,NA,"PDBC49836","781077","Present",NA,NA
+"49837","NSC781078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781078",NA,"CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=C(C=C(C=C4)N)F)C)C","DEJNWHMCGXZMCR-IIWZZNCKSA-N",129047151,NA,"PDBC49837","781078","Present",NA,NA
+"49838","NSC781079",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781079",NA,"CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=CC(=C(C=C4)N)C(F)(F)F)C)C","CVSUJONFLKPZRI-IIWZZNCKSA-N",129047156,NA,"PDBC49838","781079","Present",NA,NA
+"49839","NSC781080",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781080",NA,"CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=CC(=C(C=C4)N)F)C)C","GHEACUPMEITBCD-IIWZZNCKSA-N",129047163,NA,"PDBC49839","781080","Present",NA,NA
+"49840","NSC781082",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781082",NA,"CC1=C(C=C(C=C1)CNC2=C(C=C(C=C2)Cl)NCC3=CC(=C(C=C3)C)O)O","WNTAQMQIZGJASL-UHFFFAOYSA-N",154824629,NA,"PDBC49840","781082","Present",NA,NA
+"49841","NSC781084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781084",NA,"C1C(C(SS1)CN2C=NC3=C(N=CN=C32)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)O","GFZWZMPXHOGCGO-UHFFFAOYSA-N",155810155,NA,"PDBC49841","781084","Present",NA,NA
+"49842","NSC781091",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781091",NA,NA,NA,NA,NA,"PDBC49842","781091","Present",NA,NA
+"49843","NSC781094",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781094",NA,"COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CC=CC=N4)OC)C(=O)OCC5=CC=CC=N5","KHCSBCXYWDALIA-YKSAKOAQSA-N",155806298,NA,"PDBC49843","781094","Present",NA,NA
+"49844","NSC781095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781095",NA,"COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CN=CC=C4)OC)C(=O)OCC5=CN=CC=C5","KGIHLAIKYCDWBW-VLVTZEHGSA-N",155814986,NA,"PDBC49844","781095","Present",NA,NA
+"49845","NSC781096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781096",NA,"COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CN=CC=C4)OC)C(=O)OCC5=CN=CC=C5","KGIHLAIKYCDWBW-PWUBOQMHSA-N",155808692,NA,"PDBC49845","781096","Present",NA,NA
+"49846","NSC781097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781097",NA,"COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CC=NC=C4)OC)C(=O)OCC5=CC=NC=C5","WPGMOQSEFMSICF-YKSAKOAQSA-N",155809436,NA,"PDBC49846","781097","Present",NA,NA
+"49847","NSC781098",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781098",NA,"COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=NC=NC=C4)OC)C(=O)OCC5=NC=NC=C5","XMEFVYAGPCUDCB-JXPYRENWSA-N",155810782,NA,"PDBC49847","781098","Present",NA,NA
+"49848","NSC781099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781099",NA,"COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CN=CN=C4)OC)C(=O)OCC5=CN=CN=C5","UDVTWMRUJQNOOC-JXPYRENWSA-N",155808659,NA,"PDBC49848","781099","Present",NA,NA
+"49849","NSC781101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781101",NA,"CN1C(=CC=N1)SCCOC(=O)C2=C3C=CC(O3)(CCCCCCCCC(=O)C(=C4C=CC(O4)(CCCCCCCCC2=O)OC)C(=O)OCCSC5=CC=NN5C)OC","RNBNLVQYLVYJDS-OVTCTGMWSA-N",155806260,NA,"PDBC49849","781101","Present",NA,NA
+"49850","NSC781102",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781102",NA,"COC12CCCCCCCCC(=O)C(=C3C=CC(O3)(CCCCCCCCC(=O)C(=C(O1)C=C2)C(=O)OCC4=CN=C(S4)SC)OC)C(=O)OCC5=CSC(=N5)SC","JTBKZBMREPSCBF-SGRXOXICSA-N",155808782,NA,"PDBC49850","781102","Present",NA,NA
+"49851","NSC781129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781129",NA,"CN(CC(=O)N(CC1=CC=C(C=C1)C2CCCCC2)C3=CC=C(C=C3)C(=O)O)S(=O)(=O)C4=C(C(=C(C(=C4F)F)F)F)F","VFPYGNNOSJWBHF-UHFFFAOYSA-N",72188643,NA,"PDBC49851","781129","Present",NA,NA
+"49852","NSC781136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781136",NA,"COC1=CC=C(C=C1)CCN2CCCN3C2=NC4=CC=CC=C4C3=O","QQHKTLHOSWQWPU-UHFFFAOYSA-N",155806269,NA,"PDBC49852","781136","Present",NA,NA
+"49853","NSC781137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781137",NA,"COC1=CC=C(C=C1)CCN2CCCN3C2=NC4=CC=CC=C4S3(=O)=O","DSTPKZCAHSCJPM-UHFFFAOYSA-N",102366105,NA,"PDBC49853","781137","Present",NA,NA
+"49854","NSC781140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781140",NA,"COC1=CC=C(C=C1)CCN2CC=CN3C2=NC4=CC=CC=C4C3=O","HQCFHCFLGSDNNE-UHFFFAOYSA-N",132520978,NA,"PDBC49854","781140","Present",NA,NA
+"49855","NSC781173",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781173",NA,NA,NA,NA,NA,"PDBC49855","781173","Present",NA,NA
+"49856","NSC781303",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781303",NA,"C1=CC=C2C(=C1)C=NN=C2OC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl","JDNSTJTXHGHGDS-UHFFFAOYSA-N",155816402,NA,"PDBC49856","781303","Present",NA,NA
+"49857","NSC781304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781304",NA,"C1=CC=C2C(=C1)C=NN=C2NC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl","DQDNQNFUVLUVOU-UHFFFAOYSA-N",155810542,NA,"PDBC49857","781304","Present",NA,NA
+"49858","NSC781309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781309",NA,"CC1=NN=C(C2=CC=CC=C12)NC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)Cl","DXNVLQABDSQJPY-UHFFFAOYSA-N",155812215,NA,"PDBC49858","781309","Present",NA,NA
+"49859","NSC781433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781433",NA,"C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=CC=CC=C6N(C5=O)CC7=CC=CC=C7)O)OO2","SOPQDALOHMWZCZ-UHFFFAOYSA-N",155806930,NA,"PDBC49859","781433","Present",NA,NA
+"49860","NSC781434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781434",NA,"C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)F)N(C5=O)CC7=CC=CC=C7)O)OO2","ONLANXSSYRPCDT-UHFFFAOYSA-N",155808575,NA,"PDBC49860","781434","Present",NA,NA
+"49861","NSC781435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781435",NA,"C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)Cl)N(C5=O)CC7=CC=CC=C7)O)OO2","DFEIUYXRXYRPAN-UHFFFAOYSA-N",155810581,NA,"PDBC49861","781435","Present",NA,NA
+"49862","NSC781436",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781436",NA,"C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)Br)NC5=O)O)OO2","MMSCMCMBECIODB-UHFFFAOYSA-N",155816786,NA,"PDBC49862","781436","Present",NA,NA
+"49863","NSC781437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781437",NA,"C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)Br)N(C5=O)CC7=CC=CC=C7)O)OO2","VISSILYMOFKRGN-UHFFFAOYSA-N",155816380,NA,"PDBC49863","781437","Present",NA,NA
+"49864","NSC781439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781439",NA,"C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)F)NC5=O)O)OO2","NQZPYAAFYFPBGJ-UHFFFAOYSA-N",155807170,NA,"PDBC49864","781439","Present",NA,NA
+"49865","NSC781440",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781440",NA,"C1CCC2(CC1)OOC3(CCC(CC3)CNC(=O)C4=CC=C(C=C4)C(=O)CC5(C6=C(C=CC(=C6)Cl)NC5=O)O)OO2","JUPRKFJJLWKKIQ-UHFFFAOYSA-N",155811687,NA,"PDBC49865","781440","Present",NA,NA
+"49866","NSC781445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781445",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(CC3C(=C)CCC4C3(CCC(C4(C)COC(=O)C)OC(=O)C)C)C5=CCOC5=O","HIJGEBDYAVHRCK-OZYDSSMCSA-N",155816659,NA,"PDBC49866","781445","Present",NA,NA
+"49867","NSC781466",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781466",NA,"B1(OC2CCC(CC2O1)CC(C(=O)NC(CC3=CC4=C(C=C3)OB(O4)C(CC(C)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6=NC=CN=C6)C(=O)NC(CC7=CC8=C(C=C7)OB(O8)C(CC(C)C)NC(=O)C(CC9=CC=CC=C9)NC(=O)C1=NC=CN=C1)C(=O)NCCCCC1C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1)CC1=CC=CC=C1)CC(=O)O)CCCNC(=N)N)N)C(CC(C)C)NC(=O)C(CC1CCCCC1)NC(=O)C1CNCCN1","VVBIPKURTKHKCV-HCQXNYSJSA-N",155805980,NA,"PDBC49867","781466","Present",NA,NA
+"49868","NSC781471",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781471",NA,"B1(OC2C(OC(C(C2O1)O)C(=O)NCCCCC3C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N3)CC4=CC=CC=C4)CC(=O)O)CCCN=C(N)N)CN)C(CC(C)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)C6=NC=CN=C6","ZQGOZVXWQFXQFT-SUVQGPRRSA-N",155805658,NA,"PDBC49868","781471","Present",NA,NA
+"49869","NSC781491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781491",NA,"CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C(=C3)C(F)(F)F)C4=CC=C(C=C4)N)C)C","FZYSVVRVZAMZSG-UZJCWIEUSA-N",129047078,NA,"PDBC49869","781491","Present",NA,NA
+"49870","NSC781492",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781492",NA,"CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=NN(C=C3)C4=C(C=C(C=C4)N)C(F)(F)F)C)C","QFOAELMIIBDFQY-IIWZZNCKSA-N",129047149,NA,"PDBC49870","781492","Present",NA,NA
+"49871","NSC781494",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781494",NA,"CC(=O)C1=CC=C(C=C1)C2CC3(C(CCC3(C(C#C)(F)F)O)C4C2=C5CCC(=O)C=C5CC4)C","NMSKVLHBNDTYTF-WKWWZUSTSA-N",155815130,NA,"PDBC49871","781494","Present",NA,NA
+"49872","NSC781551",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781551",NA,"CCCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)C=CC(=O)C3=CC=NC=C3","UYIUMIAGZFCLKR-FNORWQNLSA-N",118118795,NA,"PDBC49872","781551","Present",NA,NA
+"49873","NSC781595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781595",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=C(N4)C=CC(=C5)OC","CKACGFRPHWJYPP-LYIDXHOBSA-N",155808626,NA,"PDBC49873","781595","Present",NA,NA
+"49874","NSC781596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781596",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=C(N4)C=CC(=C5)Cl","JKROFEPRZWSJPJ-QGEJRNGNSA-N",155810362,NA,"PDBC49874","781596","Present",NA,NA
+"49875","NSC781615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781615",NA,"CCCOC1=CC2=CC=CC=C2C=C1C(=O)NC3=NC(=C4C5=CC=NC5=CC=C4N3)N","MAXHHERSVIWPEB-UHFFFAOYSA-N",155808916,NA,"PDBC49875","781615","Present",NA,NA
+"49876","NSC781616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781616",NA,"CCCOC1=CC2=CC=CC=C2C=C1C(=O)NC3=NC(=C4C5=CC=NC5=CC=C4N3)NC","OMZFTTFKAYXMCW-UHFFFAOYSA-N",155814904,NA,"PDBC49876","781616","Present",NA,NA
+"49877","NSC781640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781640",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NC(=O)N2C3=C(C=CC=C3Cl)Cl)C=CC4=CC(=C(C=C4)O)OC)O","JRENUUFXCBXHNP-JMQWPVDRSA-N",155808806,NA,"PDBC49877","781640","Present",NA,NA
+"49878","NSC781769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781769",NA,"C=CCNC1=NC(=C(S1)C=C2C=NC3=C2C=CC=N3)O","FGQMZRYKIMITLZ-VQHVLOKHSA-N",155813794,NA,"PDBC49878","781769","Present",NA,NA
+"49879","NSC781772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781772",NA,"CCNC1=NC(=C(S1)C=C2C=NC3=C2C=CC=N3)O","JNLWLSMMWWDTRD-SOFGYWHQSA-N",155812558,NA,"PDBC49879","781772","Present",NA,NA
+"49880","NSC781860",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781860",NA,"CC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)C)C)CC(C3=CCOC3=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CS5)C","FXOOOBWGDNSJQJ-ZPORCILFSA-N",155812556,NA,"PDBC49880","781860","Present",NA,NA
+"49881","NSC781861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781861",NA,"CC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)C)C)CC(C3=CCOC3=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NC=CC=N5)C","ZUTBSFXWIUVBBQ-OZYDSSMCSA-N",155805925,NA,"PDBC49881","781861","Present",NA,NA
+"49882","NSC781862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781862",NA,"CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(CC3C(=C)CCC4C3(CCC(C4(C)COC(=O)C)OC(=O)C)C)C5=CCOC5=O","IJNBMIQURQJNEO-IEUFPAPRSA-N",155815403,NA,"PDBC49882","781862","Present",NA,NA
+"49883","NSC781863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781863",NA,"CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(CC2C(=C)CCC3C2(CCC(C3(C)COC(=O)C)OC(=O)C)C)C4=CCOC4=O","BPHHHXVBHLRGAE-VUIXFHSUSA-N",127034746,NA,"PDBC49883","781863","Present",NA,NA
+"49884","NSC781954",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781954",NA,"COC1=C(C=C2C(=C1)C(=NC=N2)N3C4=C(C=C(C=C4)NC(=O)NC5=CC=CC=C5)C=N3)OC","VYRGQOGLPPLFLW-UHFFFAOYSA-N",155807504,NA,"PDBC49884","781954","Present",NA,NA
+"49885","NSC781956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781956",NA,"COC1=C(C=C2C(=C1)C(=NC=N2)N3C4=C(C=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)Cl)C=N3)OC","KMJUERPIXSHMII-UHFFFAOYSA-N",155812270,NA,"PDBC49885","781956","Present",NA,NA
+"49886","NSC781960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781960",NA,"C1=CC=C2C(=C1)C(=CC3=CN(C4=CC=CC=C43)CC(CN5C=C(C6=CC=CC=C65)C=C7C8=CC=CC=C8NC7=O)O)C(=O)N2","BNNUSMGZUFNNHO-VYTBREFCSA-N",127033390,NA,"PDBC49886","781960","Present",NA,NA
+"49887","NSC782123",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782123",NA,"C1=CC(=CC=C1NC2=NC3=NON=C3N=C2NC4=CC=C(C=C4)I)F","QRTCBAURJCNMAD-UHFFFAOYSA-N",1105659,NA,"PDBC49887","782123","Present",NA,NA
+"49888","NSC782128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782128",NA,"COC1=CC=C(C=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)NN=C4","XALNIGJUFJYYNI-UHFFFAOYSA-N",127051274,NA,"PDBC49888","782128","Present",NA,NA
+"49889","NSC782133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782133",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)O","QCNUNYMTCGCHDR-XMGMMNJSSA-N",117990614,NA,"PDBC49889","782133","Present",NA,NA
+"49890","NSC782134",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782134",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCCO)O","MJMACXMBNNEKPP-ISIBKBNISA-N",117990539,NA,"PDBC49890","782134","Present",NA,NA
+"49891","NSC782135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782135",NA,"CCC=CCC1CC=C2C(CC=CCCCC(=O)O1)C=CC2=O","GHFBWRGTHVTGIQ-OLBAJUCDSA-N",117990622,NA,"PDBC49891","782135","Present",NA,NA
+"49892","NSC782137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782137",NA,"COC(=O)CCCC=CCC1C=CC(=O)C1=CCC(CC=CCC(F)(F)F)O","LIIOLTDIZNIBAS-ILQPDHFCSA-N",117990541,NA,"PDBC49892","782137","Present",NA,NA
+"49893","NSC782138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782138",NA,"CCC=CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)O)O","AAUOKIRJZADQLD-HRGSCTCBSA-N",117990570,NA,"PDBC49893","782138","Present",NA,NA
+"49894","NSC782139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782139",NA,"CCC=CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)O","TYJPKPMZCMKESK-UNFZTIMDSA-N",117990588,NA,"PDBC49894","782139","Present",NA,NA
+"49895","NSC782142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782142",NA,"COC1=CC=CC(=C1)NC2=NC=CC(=N2)NC3=CC4=C(C=C3)NN=C4","UVBAFGUYHDPGPO-UHFFFAOYSA-N",127051005,NA,"PDBC49895","782142","Present",NA,NA
+"49896","NSC782183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782183",NA,"C1COCCN1CC2=CC(=C3C=CC=NC3=C2O)COCC4=CC=CC=C4","ZPJRWICTQQZYDM-UHFFFAOYSA-N",3242810,NA,"PDBC49896","782183","Present",NA,NA
+"49897","NSC782184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782184",NA,"C1CCN(C1)CC2=CC(=C3C=CC=NC3=C2O)CSCC4=CC=CC=C4","MBXVWQNIQCXTIO-UHFFFAOYSA-N",155809151,NA,"PDBC49897","782184","Present",NA,NA
+"49898","NSC782185",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782185",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CNC5=CC=CC=C54","YDVFUZPJDBGPJZ-ICPKPPSNSA-N",155815332,NA,"PDBC49898","782185","Present",NA,NA
+"49899","NSC782186",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782186",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CNC5=C4C=C(C=C5)OC","CXYFATPFHKDZOY-KKLWQCETSA-N",155805903,NA,"PDBC49899","782186","Present",NA,NA
+"49900","NSC782187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782187",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CN(C5=CC=CC=C54)CC6=CC=CC=C6","WUJUFWRWSYYQGF-BPECKKQISA-N",155808618,NA,"PDBC49900","782187","Present",NA,NA
+"49901","NSC782188",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782188",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CNC5=C4C=C(C=C5)Cl","GKBBVKXWBMQSQT-XRXLMMCCSA-N",155808773,NA,"PDBC49901","782188","Present",NA,NA
+"49902","NSC782189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782189",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CN(C5=C4C=C(C=C5)Cl)C","KXVDXRHYVTZOCH-KKLWQCETSA-N",155816824,NA,"PDBC49902","782189","Present",NA,NA
+"49903","NSC782190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782190",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C(=O)C4=CN(C5=C4C=C(C=C5)OC)C","QNVLGWKZBOALFD-RNWZCEFLSA-N",155806962,NA,"PDBC49903","782190","Present",NA,NA
+"49904","NSC782191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782191",NA,"CN1CCN(CC1)CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=C(C=C4)F)F","ZWOKPDXIDIAZGX-UHFFFAOYSA-N",155807551,NA,"PDBC49904","782191","Present",NA,NA
+"49905","NSC782192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782192",NA,"C1COCCN1CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=C(C=C4)Cl)F","SYOLPCCAPFKPPH-UHFFFAOYSA-N",155807646,NA,"PDBC49905","782192","Present",NA,NA
+"49906","NSC782193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782193",NA,"C1COCCN1CCCOC2=CC=CC3=C2C=CC(=N3)NC4=CC(=C(C=C4)Cl)C(F)(F)F","KYUWJTZJFRHORX-UHFFFAOYSA-N",155811728,NA,"PDBC49906","782193","Present",NA,NA
+"49907","NSC782195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782195",NA,"CNC(=O)C1=NC=CC(=C1)OC2=CC3=C(C=C2)N=C(S3)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","OEUFEFKBLXBIRS-UHFFFAOYSA-N",127047922,NA,"PDBC49907","782195","Present",NA,NA
+"49908","NSC782198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782198",NA,"CC(C)C1=CC=C(C=C1)NC2=NC3=C(C=C2)C(=CC=C3)OCCCN4CCN(CC4)C","MBSFQLCGUWCBHV-UHFFFAOYSA-N",155812538,NA,"PDBC49908","782198","Present",NA,NA
+"49909","NSC782199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782199",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)COC3=CC=CC=C3)C=CC4=CC(=C(C=C4)O)OC)O","XBCNYRJMHMHHOB-JMVBYTIWSA-N",155813430,NA,"PDBC49909","782199","Present",NA,NA
+"49910","NSC782200",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782200",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)COC3=C(C=C(C=C3)Cl)Cl)C=CC4=CC(=C(C=C4)O)OC)O","PJOWGNVATVGOEL-ZATFKQDHSA-N",155807271,NA,"PDBC49910","782200","Present",NA,NA
+"49911","NSC782201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782201",NA,"COC1=CC=C(C=C1)NC(=O)N2C(=CC(=N2)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC","DOIKHGVMARNJMR-JLYKOKMVSA-N",155808996,NA,"PDBC49911","782201","Present",NA,NA
+"49912","NSC782239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782239",NA,"CC1=C(C=C2C=C(C(=CC2=N1)OC)OC)OC3=CC=CC(=C3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","LWIOLJCQIAEPNK-UHFFFAOYSA-N",155810255,NA,"PDBC49912","782239","Present",NA,NA
+"49913","NSC782285",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782285",NA,"CCC=CCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)OC","AKWDIFKYJSCQOS-NOGXYDRUSA-N",117990590,NA,"PDBC49913","782285","Present",NA,NA
+"49914","NSC782286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782286",NA,"CCC=CCCCC=C1C(C=CC1=O)CC=CCCCC(=O)O","JWCVRKUMYRODPU-INLNERNISA-N",117990563,NA,"PDBC49914","782286","Present",NA,NA
+"49915","NSC782287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782287",NA,"CCC=CCCCC=C1C(C=CC1=O)CC=CCCCC(=O)OC","BCDHSBZJUPJSAA-HWYPZBQUSA-N",117990565,NA,"PDBC49915","782287","Present",NA,NA
+"49916","NSC782289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782289",NA,"CCC=C1C(C=CC1=O)CC=CCCCC(=O)OC","PJJASMDXDAIJDC-URPQCRRZSA-N",117990567,NA,"PDBC49916","782289","Present",NA,NA
+"49917","NSC782290",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782290",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)N(C)C)O","OJMMPZFHPZQURD-JTDHWRLRSA-N",117990574,NA,"PDBC49917","782290","Present",NA,NA
+"49918","NSC782291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782291",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OCCS(=O)(=O)C2=CC=CC=C2)O","NQVIRFLPYIPXDI-SYKBTUBPSA-N",117990564,NA,"PDBC49918","782291","Present",NA,NA
+"49919","NSC782311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782311",NA,"C1C(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)CN1C(=O)C4=CN=CC=C4","AJVWXNDUKGCJJZ-HOFJZWJUSA-N",155816677,NA,"PDBC49919","782311","Present",NA,NA
+"49920","NSC782330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782330",NA,"CC(C1=CC=CC=C1)NC(=O)C2CSSCC(C(=O)NCC(=O)N2C)NC(=O)C3=NC4=CC=CC=C4C=C3O","SWGDSLCFECIUGM-DQLDELGASA-N",122195890,NA,"PDBC49920","782330","Present",NA,NA
+"49921","NSC782342",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782342",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=CC=CC=C5S4","HSWNNUPUZBWTIY-SSZMZQGMSA-N",155813367,NA,"PDBC49921","782342","Present",NA,NA
+"49922","NSC782343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782343",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=C(N4)C=CC(=C5)F","VUUJRJMEOPBGEU-QGEJRNGNSA-N",155815216,NA,"PDBC49922","782343","Present",NA,NA
+"49923","NSC782360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782360",NA,"C1C(OC(OC12C=CC(=O)O2)C3=CC(=CC=C3)C(F)(F)F)C4=CC(=CC=C4)C(F)(F)F","IGYFAKODNZBODR-UHOSZYNNSA-N",102347581,NA,"PDBC49923","782360","Present",NA,NA
+"49924","NSC782361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782361",NA,"CC1=NC2=C(CCC2)C(=N1)N(C)C3=CC4=C(C=C3)C(=CC=C4)OC","DZBBSCITDWHHOR-UHFFFAOYSA-N",91972007,NA,"PDBC49924","782361","Present",NA,NA
+"49925","NSC782371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782371",NA,"CCOC(=O)C1=C2C=CC=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4","OQYRVZDWHQOCGR-UHFFFAOYSA-N",14900032,NA,"PDBC49925","782371","Present",NA,NA
+"49926","NSC782372",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782372",NA,"CCOC(=O)C1=C2C(=CC=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4)F","DPWMKZXYJUTMAM-UHFFFAOYSA-N",44567519,NA,"PDBC49926","782372","Present",NA,NA
+"49927","NSC782378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782378",NA,"CCOC(=O)C1=C2C=C(C=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4)NC(=O)OC(C)(C)C","LGVDMCVXHGKAMQ-UHFFFAOYSA-N",155806091,NA,"PDBC49927","782378","Present",NA,NA
+"49928","NSC782394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782394",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O","NKGFIFLSQXHQOK-MDZWDICZSA-N",155810469,NA,"PDBC49928","782394","Present",NA,NA
+"49929","NSC782482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782482",NA,"CC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)C)C)CC(C3=CCOC3=O)SC4=CC=CC=C4)C","VXBFPGMMVNWWCC-PLUWSZGGSA-N",127035548,NA,"PDBC49929","782482","Present",NA,NA
+"49930","NSC782483",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782483",NA,"CC1=C2C(CC1)C3(C(CC(C2OC(=O)C=CC4=CC=CC=C4)(O3)C(C)C)OC(=O)C(C)O)C","HINISUGDICBSBT-VXYUVXGPSA-N",155815657,NA,"PDBC49930","782483","Present",NA,NA
+"49931","NSC782486",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782486",NA,"CC1=C2C(CC1)C3(C(CC(C2OC(=O)CCCC4=CC=CC=C4)(O3)C(C)C)OC(=O)CO)C","CYUBUDDXFBYBRL-RDQZFCRKSA-N",122635045,NA,"PDBC49931","782486","Present",NA,NA
+"49932","NSC782487",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782487",NA,"CC1=C2C(CC1)C3(C(CC(C2OC(=O)C4CC4C5=CC=CC=C5)(O3)C(C)C)OC(=O)CO)C","YSMTVGBHOQJRTF-YBVGUANTSA-N",122635048,NA,"PDBC49932","782487","Present",NA,NA
+"49933","NSC782488",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782488",NA,"CC1=C2C(CC1)C3(C(CC(C2OC(=O)C=CC4=CC=CC=C4)(O3)C5CCCCC5)OC(=O)CO)C","SXVCCXUGYMSPTP-YDIXTDQRSA-N",122635049,NA,"PDBC49933","782488","Present",NA,NA
+"49934","NSC782489",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782489",NA,"CC1=C2C(CC1)C3(C(CC(C2OC(=O)C=CC4=CC=CC=C4)(O3)C5CC5)OC(=O)CO)C","FBOGGNRYXBDUBT-CTNOBAPDSA-N",122635060,NA,"PDBC49934","782489","Present",NA,NA
+"49935","NSC782490",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782490",NA,"CC1=C2C(CC1)C3(C(CC(C2OC(=O)C=CC4=CC=CC=C4)(O3)C5=CC=CC=C5)OC(=O)CO)C","HMIZTNJYJQQHJM-YDIXTDQRSA-N",122635057,NA,"PDBC49935","782490","Present",NA,NA
+"49936","NSC782512",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782512",NA,"C1=CC2=C(C(=C1)Br)SC3=C2OC(=C(C3C4=CC=C(C=C4)F)C#N)N","RYZZBAINZXDRBB-UHFFFAOYSA-N",155805665,NA,"PDBC49936","782512","Present",NA,NA
+"49937","NSC782513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782513",NA,"COC1=CC=C(C=C1)C2C(=C(OC3=C2SC4=C3C=CC=C4Br)N)C#N","WOYCAMRHAMFHAU-UHFFFAOYSA-N",155814183,NA,"PDBC49937","782513","Present",NA,NA
+"49938","NSC782514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782514",NA,"C1=CC2=C(C(=C1)Br)SC3=C2OC(=C(C3C4=CC=C(C=C4)Cl)C#N)N","BDVVITYPUUGYJO-UHFFFAOYSA-N",155813563,NA,"PDBC49938","782514","Present",NA,NA
+"49939","NSC782522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782522",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)CNC3=CC=C(C=C3)Cl)C=CC4=CC(=C(C=C4)O)OC)O","PIXQBAZMIZVLSO-FBBLOSFGSA-N",155807263,NA,"PDBC49939","782522","Present",NA,NA
+"49940","NSC782573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782573",NA,"C1COCCN1CCCNC2=NC(=CC(=N2)NC(=O)C3=CC(=CC(=C3)Br)C(F)(F)F)C4=CN=CC=C4","SWGHSHOUMNMZNI-UHFFFAOYSA-N",127031783,NA,"PDBC49940","782573","Present",NA,NA
+"49941","NSC782636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782636",NA,"CC1=CN=C(C(=C1OC)C)CN2C=C(C3=C2N=C(N=C3Cl)N)CC4=CC=CC=C4","CBDCNHPEKJZUHT-UHFFFAOYSA-N",131704417,NA,"PDBC49941","782636","Present",NA,NA
+"49942","NSC782638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782638",NA,"C1OC2=C(O1)C=C(C(=C2)CN3C=NC4=C(N=C(N=C43)N)NC5=CC=CC=C5)Br","MPXWFZINXMCPSU-UHFFFAOYSA-N",142743831,NA,"PDBC49942","782638","Present",NA,NA
+"49943","NSC782647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782647",NA,"CC(C)C(C(=O)OC)NC(=O)NC(=O)NC(=O)CI","NCZHSMBZIGWJLT-ZETCQYMHSA-N",155814864,NA,"PDBC49943","782647","Present",NA,NA
+"49944","NSC782648",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782648",NA,"CCC(C)C(C(=O)OC)NC(=O)NC(=O)NC(=O)CI","CHRLDHIKXGSALP-XDKWHASVSA-N",155805738,NA,"PDBC49944","782648","Present",NA,NA
+"49945","NSC782649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782649",NA,"CC(C)CC(C(=O)OC)NC(=O)NC(=O)NC(=O)CI","NLWFDGAWMDKTPW-ZETCQYMHSA-N",155806266,NA,"PDBC49945","782649","Present",NA,NA
+"49946","NSC782650",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782650",NA,"CC1(OC2C(OC(C2O1)N3C=NC4=C(N=CN=C43)NC(=O)NC5=CC=CC=C5)CNC(=O)NC(=O)NC(=O)CI)C","BBKXJADFIUEQAK-SYFIOPGFSA-N",155810094,NA,"PDBC49946","782650","Present",NA,NA
+"49947","NSC782653",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782653",NA,"C1CN(CCC1CO)C2=C(C=CC(=C2)C3=CN=CC=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","MEWKXRSNPXSCRV-UHFFFAOYSA-N",155810716,NA,"PDBC49947","782653","Present",NA,NA
+"49948","NSC782674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782674",NA,"CC1=C2C(CC1)C3(C(CC(C2OC(=O)C=CC4=CC=CC=C4)(O3)C(C)C)OC(=O)C)C","BZFPESHMGZBHSR-PEMJOCNMSA-N",122635059,NA,"PDBC49948","782674","Present",NA,NA
+"49949","NSC782709",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782709",NA,"CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N","DNFFBSMQAJSTQQ-UHFFFAOYSA-N",127025502,NA,"PDBC49949","782709","Present",NA,NA
+"49950","NSC782751",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782751",NA,"CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)N3CCCCC3)NCCCNC4=C5C=CC(=CC5=NC=C4)Cl","LFRLJCQPZQAFJY-UHFFFAOYSA-N",155810348,NA,"PDBC49950","782751","Present",NA,NA
+"49951","NSC782784",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782784",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)O)F","GJJFEQVQERKJIG-OLBAJUCDSA-N",117990582,NA,"PDBC49951","782784","Present",NA,NA
+"49952","NSC782785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782785",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)F","HCZBILKLGBKORT-XMGMMNJSSA-N",117990562,NA,"PDBC49952","782785","Present",NA,NA
+"49953","NSC782786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782786",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)NC)O","RAKHPDYXCVLIPO-XMGMMNJSSA-N",130467348,NA,"PDBC49953","782786","Present",NA,NA
+"49954","NSC782787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782787",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)NC(C)C)O","JQWNQBYBCGTOEK-NGIWCQTKSA-N",155811726,NA,"PDBC49954","782787","Present",NA,NA
+"49955","NSC782788",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782788",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC(C)C)O","COPXKMZORFWXCC-NGIWCQTKSA-N",130467735,NA,"PDBC49955","782788","Present",NA,NA
+"49956","NSC782789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782789",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)N)O","HAWILLDBMQDCST-OLBAJUCDSA-N",130467346,NA,"PDBC49956","782789","Present",NA,NA
+"49957","NSC782880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782880",NA,"CC1=C(SC(=N1)NC)C2=NC(=NC=C2F)NC3=CC(=CC=C3)S(=O)(=O)N","GAIOPWBQKZMUNO-UHFFFAOYSA-N",71561915,NA,"PDBC49957","782880","Present",NA,NA
+"49958","NSC782881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782881",NA,"COC1=CC(=C(C(=C1)OC)C=CS(=O)(=O)CC2=CC(=C(N=C2)OC)N)OC","SJUIAQGLXFJIBB-AATRIKPKSA-N",56598517,NA,"PDBC49958","782881","Present",NA,NA
+"49959","NSC782882",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782882",NA,"COC1=C(N=C(C=C1)CS(=O)(=O)C=CC2=C(C=C(C=C2OC)OC)OC)N","SUVXJIREQOOYGN-BQYQJAHWSA-N",86276168,NA,"PDBC49959","782882","Present",NA,NA
+"49960","NSC782892",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782892",NA,"C1CCN(CC1)CCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","OATANYSNZPXVHP-UHFFFAOYSA-N",122188472,NA,"PDBC49960","782892","Present",NA,NA
+"49961","NSC782893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782893",NA,"C1COCCN1CCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","WLAKLXCQDUPBRG-UHFFFAOYSA-N",122188473,NA,"PDBC49961","782893","Present",NA,NA
+"49962","NSC782942",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782942",NA,"CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4CCCCC4","UWSZIGZUTJKFFQ-UHFFFAOYSA-N",137640400,NA,"PDBC49962","782942","Present",NA,NA
+"49963","NSC782947",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782947",NA,"CCOC(=O)C#CC1=C(N=NN1C2C3C(C(O2)CO)OC4(O3)CCCCC4)C(=O)OCC","QKLPIYSTKALPSK-UTRMSSBJSA-N",155813647,NA,"PDBC49963","782947","Present",NA,NA
+"49964","NSC782948",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782948",NA,"CCOC(=O)C#CC1=C(N=NN1CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OCC","UBPBSVGTOAKDQC-UHFFFAOYSA-N",155805771,NA,"PDBC49964","782948","Present",NA,NA
+"49965","NSC782949",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782949",NA,"CCOC(=O)C#CC1=C(N=NN1CC2=CC=C(C=C2)C(F)(F)F)C(=O)OCC","SZEAKSPQLQQSAN-UHFFFAOYSA-N",155812125,NA,"PDBC49965","782949","Present",NA,NA
+"49966","NSC782950",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782950",NA,"CCOC(=O)CC1=C(N(N=N1)C2C3C(C(O2)CO)OC(O3)(C)C)C#CC(=O)OCC","JNJGXKNTCJWVJE-MGHWNKPDSA-N",155811770,NA,"PDBC49966","782950","Present",NA,NA
+"49967","NSC782951",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782951",NA,"CCOC(=O)C#CC1=C(N=NN1C2C(C(C(O2)COC)OC)OC)C(=O)OCC","AHLYKYXVEAFPKI-BASLNEPJSA-N",137643606,NA,"PDBC49967","782951","Present",NA,NA
+"49968","NSC782976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC782976",NA,"C1=CC=C(C(=C1)CN2C3=CC=CC=C3C4(C2=O)NN=C(S4)C5=CC(=CC=C5)Cl)Cl","NZXCHMBHJIGSAZ-UHFFFAOYSA-N",71284106,NA,"PDBC49968","782976","Present",NA,NA
+"49969","NSC783039",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783039",NA,"C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC(=O)NC5=NC(=CS5)C6=CC=C(C=C6)Cl)F)C(=O)O","SQPOQTJSFGQVPG-UHFFFAOYSA-N",155815195,NA,"PDBC49969","783039","Present",NA,NA
+"49970","NSC783040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783040",NA,"COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CN3CCN(CC3)C4=C(C=C5C(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F","ADEDEQNGEXGRTA-UHFFFAOYSA-N",155806958,NA,"PDBC49970","783040","Present",NA,NA
+"49971","NSC783041",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783041",NA,"CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CC(=O)N(CC)C4=NC(=CS4)C5=CC=CC=C5)F)C(=O)O","WMCWJEWQJMPKCE-UHFFFAOYSA-N",155815126,NA,"PDBC49971","783041","Present",NA,NA
+"49972","NSC783076",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783076",NA,"CNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C2N=CC(=C4)OC","PWLYAHAXYULARD-UHFFFAOYSA-N",137640123,NA,"PDBC49972","783076","Present",NA,NA
+"49973","NSC783086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783086",NA,"CC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)C)C)CC(C3=CCOC3=O)NC4=CC=C(C=C4)S(=O)(=O)NC5=NN=C(C=C5)Cl)C","OTWRTEIFIOHZTL-MOLSIHIDSA-N",155815427,NA,"PDBC49973","783086","Present",NA,NA
+"49974","NSC783093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783093",NA,"CC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN3CCCC3)C4=CC=CC=C4","DFHBLNUDXVTIIS-SZXQPVLSSA-N",127030254,NA,"PDBC49974","783093","Present",NA,NA
+"49975","NSC783094",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783094",NA,"CCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=CC=C2)C3=CC=C(C=C3)OCCN4CCCC4","APRXGOORLSVCDR-ONQIKCEGSA-N",127033896,NA,"PDBC49975","783094","Present",NA,NA
+"49976","NSC783099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783099",NA,"CC[N+]1=CC2=C(C=C1)C3=NC4=CC=CC=C4C5=C3C(=NC=C5)C2=O","QZCOBLBAPMCVJF-UHFFFAOYSA-N",155816732,NA,"PDBC49976","783099","Present",NA,NA
+"49977","NSC783100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783100",NA,"C1=CC=C(C=C1)C[N+]2=CC3=C(C=C2)C4=NC5=CC=CC=C5C6=C4C(=NC=C6)C3=O","GZLXMMICBCUFDB-UHFFFAOYSA-N",155808922,NA,"PDBC49977","783100","Present",NA,NA
+"49978","NSC783178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783178",NA,"C1C(NC2=CC3=C(C=C2C1=O)OCO3)C4=CC5=C(C=C4)OCO5","IOWVMOVOGIWLFY-UHFFFAOYSA-N",71754003,NA,"PDBC49978","783178","Present",NA,NA
+"49979","NSC783206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783206",NA,"CC1=CN2C(=C(N=C2S1)C(F)(F)F)C=C3C4=C(C5=CC=CC=C5C=C4)NC3=O","GQEIEDZEILBJFV-RIYZIHGNSA-N",155813795,NA,"PDBC49979","783206","Present",NA,NA
+"49980","NSC783209",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783209",NA,"CNC(=O)C1=NC=CC(=C1)OC2=CC=CC3=C2C=CC(=N3)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F","KMUPNAZWSMSFEK-UHFFFAOYSA-N",142739446,NA,"PDBC49980","783209","Present",NA,NA
+"49981","NSC783241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783241",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C4=CC5=CC=CC=C5N4","SZLXOKSHVKHXLG-SSZMZQGMSA-N",118245696,NA,"PDBC49981","783241","Present",NA,NA
+"49982","NSC783303",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783303",NA,"CN1C(=O)C2=CC=CC=C2N3C1=NN=C3C4=CC(=C(C=C4)OC)O","NCBIGGVEVRXKOH-UHFFFAOYSA-N",127031821,NA,"PDBC49982","783303","Present",NA,NA
+"49983","NSC783304",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783304",NA,"CN1C(=O)C2=CC=CC=C2N3C1=NN=C3C4=CC(=C(C=C4)OC)N","HRJFKYULANSZOV-UHFFFAOYSA-N",127027230,NA,"PDBC49983","783304","Present",NA,NA
+"49984","NSC783353",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783353",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5=C(C(=O)C(=CC45C)O)C)C)C2C1C)C)C(=O)OC","WFGCKQVBWOQCII-ZNXBDCFSSA-N",155806914,NA,"PDBC49984","783353","Present",NA,NA
+"49985","NSC783356",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783356",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(C(=CC5(C)COC(=O)C6=CC=CO6)C=O)C)O)C)C2C1C)C)C(=O)OC","SYBAYJHNDOMKBR-STSVOOJSSA-N",155812063,NA,"PDBC49985","783356","Present",NA,NA
+"49986","NSC783358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783358",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC=C5C4(C(=CC5(C)CO)C6=NOC=N6)C)C)C2C1C)C)C(=O)OC","AHMOJBPGSMVIHQ-KYDZHLCTSA-N",155808702,NA,"PDBC49986","783358","Present",NA,NA
+"49987","NSC783407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783407",NA,"CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CC=C2)CN(CC(=O)NC(C(=O)O1)C(C)C)CC3=CC=C(C=C3)Cl","LSSMOJPKOYHEAP-WQUZSJQVSA-N",92135973,NA,"PDBC49987","783407","Present",NA,NA
+"49988","NSC783408",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783408",NA,"CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CC=C2)CN(CC(=O)NC(C(=O)O1)C(C)C)CC3=CC4=CC=CC=C4C=C3","PXFOLQIPJPDJJD-NEVXFRCDSA-N",155813726,NA,"PDBC49988","783408","Present",NA,NA
+"49989","NSC783523",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783523",NA,"C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC5=CC=CC=C54)N","PSKKXCZXXQDQBG-UHFFFAOYSA-N",24028415,NA,"PDBC49989","783523","Present",NA,NA
+"49990","NSC783617",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783617",NA,"CN1C(CSSCC(C(=O)NCC1=O)NC(=O)C2=NC3=CC=CC=C3C=C2O)C(=O)NCCC4=NC5=CC=CC=C5C=C4O","WLVKZPTWXBPHGG-PKTZIBPZSA-N",155812548,NA,"PDBC49990","783617","Present",NA,NA
+"49991","NSC783624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783624",NA,"COC1=C(C=C(C=C1)C2=NN=C(O2)COC3=C(C=C(C=C3)Cl)Cl)OC","OVOAKFWJQBMJPQ-UHFFFAOYSA-N",110655940,NA,"PDBC49991","783624","Present",NA,NA
+"49992","NSC783628",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783628",NA,"C1=CC2=C(C(=C1)Br)SC3=C2OC(=C(C3C4=CC=C(C=C4)[N+](=O)[O-])C#N)N","CTZVILBIWMAEAO-UHFFFAOYSA-N",155805482,NA,"PDBC49992","783628","Present",NA,NA
+"49993","NSC783630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783630",NA,"C1=CC2=C(C(=C1)Br)SC3=C2OC(=C(C3C4=CC=C(C=C4)Br)C#N)N","YBWIKLNQXWPOIA-UHFFFAOYSA-N",155813711,NA,"PDBC49993","783630","Present",NA,NA
+"49994","NSC783634",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783634",NA,"CCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)O","QCNUNYMTCGCHDR-JWFJKBGYSA-N",155815414,NA,"PDBC49994","783634","Present",NA,NA
+"49995","NSC783635",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783635",NA,"CCC=CCC1CC=C2C(CC=CCCCC(=O)O1)C=CC2=O","GHFBWRGTHVTGIQ-AJNOBVHBSA-N",130467644,NA,"PDBC49995","783635","Present",NA,NA
+"49996","NSC783636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783636",NA,"C1=CC(=CC(=C1)C(F)(F)F)CCC(CC=C2C(C=CC2=O)CC=CCCCC(=O)O)O","MAVNWELDVMMXGG-ZTWQSWPVSA-N",130467653,NA,"PDBC49996","783636","Present",NA,NA
+"49997","NSC783637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783637",NA,"COC(=O)CCCC=CCC1C=CC(=O)C1=CCC(CCC2=CC(=CC=C2)C(F)(F)F)O","CVLQHUXDFHDRED-ZYOQQEODSA-N",130467659,NA,"PDBC49997","783637","Present",NA,NA
+"49998","NSC783638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783638",NA,"C1CC=CCC2C=CC(=O)C2=CCC(OC(=O)C1)CCC3=CC(=CC=C3)C(F)(F)F","ZRZKJQNCBAKHNE-ZTWQSWPVSA-N",130467336,NA,"PDBC49998","783638","Present",NA,NA
+"49999","NSC783640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783640",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=C2CCCl)O)OC","XMPVSJJNICFOPA-UHFFFAOYSA-N",85470596,NA,"PDBC49999","783640","Present",NA,NA
+"50000","NSC783641",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783641",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=C2CCCl)OC(=O)C)OC","VRTPJMAJOZKENJ-UHFFFAOYSA-N",155806990,NA,"PDBC50000","783641","Present",NA,NA
+"50001","NSC783696",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783696",NA,"COC1=C(C=C(C=C1)C=C2C=C(N(C2=O)CCC3=CC=CC=C3)C4=CC=CC=C4)OC","PRPQIPURQSRYNZ-HAVVHWLPSA-N",155811814,NA,"PDBC50001","783696","Present",NA,NA
+"50002","NSC783699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783699",NA,"CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4CCCO4)Cl","MMJSYUQCKWEFRW-KRWDZBQOSA-N",117859438,NA,"PDBC50002","783699","Present",NA,NA
+"50003","NSC783700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783700",NA,"CC1=CN=C(N=C1NC2=CC(=C(C=C2)Cl)NS(=O)(=O)C(C)(C)C)NC3=CC=C(C=C3)N4CCN(CC4)C","OKUXIUAKYDKHDY-UHFFFAOYSA-N",124081169,NA,"PDBC50003","783700","Present",NA,NA
+"50004","NSC783716",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783716",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C(=O)C(=O)NCCCC(=O)OC)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C(=O)C(=O)NCCCC(=O)OC)O)O)C(C)C)O)O","KONXICNCFUBWTR-UHFFFAOYSA-N",155809013,NA,"PDBC50004","783716","Present",NA,NA
+"50005","NSC783718",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783718",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C(=O)C(=O)NCC(=O)OC)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C(=O)C(=O)NCC(=O)OC)O)O)C(C)C)O)O","MXAUITCASANNMM-UHFFFAOYSA-N",155805573,NA,"PDBC50005","783718","Present",NA,NA
+"50006","NSC783771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783771",NA,"CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4CCCC4","NRIZOBCKUZLADQ-UHFFFAOYSA-N",137661784,NA,"PDBC50006","783771","Present",NA,NA
+"50007","NSC783772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783772",NA,"CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)C#N","CLFCJSDPCNMWDB-UHFFFAOYSA-N",137655591,NA,"PDBC50007","783772","Present",NA,NA
+"50008","NSC783773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783773",NA,"CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC(=CC=C4)C(F)(F)F","YEXQMIJZWWVQTI-UHFFFAOYSA-N",137659358,NA,"PDBC50008","783773","Present",NA,NA
+"50009","NSC783774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783774",NA,"CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)C(=O)OC","LPGYJXQORMUCEF-UHFFFAOYSA-N",137638237,NA,"PDBC50009","783774","Present",NA,NA
+"50010","NSC783777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783777",NA,"CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)Cl","LNMFYNLCUQKGOQ-UHFFFAOYSA-N",137641091,NA,"PDBC50010","783777","Present",NA,NA
+"50011","NSC783778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783778",NA,"CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)F","BRQCCXNBJRDTAJ-UHFFFAOYSA-N",137658723,NA,"PDBC50011","783778","Present",NA,NA
+"50012","NSC783780",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783780",NA,"CCNCCNC1=CC(=C(C2=NC3=CC(=C(C=C3N12)Cl)Cl)C#N)C4=CC=C(C=C4)C(F)(F)F","HKPBHLMDSRZZLF-UHFFFAOYSA-N",132606865,NA,"PDBC50012","783780","Present",NA,NA
+"50013","NSC783799",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783799",NA,"CN1CCN(CC1)CCCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","JICWBGYOXWDBPV-UHFFFAOYSA-N",155812150,NA,"PDBC50013","783799","Present",NA,NA
+"50014","NSC783800",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783800",NA,"C1COCCN1CCCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","CMEJZBGTPMODEK-UHFFFAOYSA-N",122188475,NA,"PDBC50014","783800","Present",NA,NA
+"50015","NSC783801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783801",NA,"C1CCN(CC1)CCCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","DVZCMBJSRRXMRW-UHFFFAOYSA-N",122188474,NA,"PDBC50015","783801","Present",NA,NA
+"50016","NSC783803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783803",NA,"C1CCN(CC1)CCCNC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","VUJDUJLCJILSBH-UHFFFAOYSA-N",122188467,NA,"PDBC50016","783803","Present",NA,NA
+"50017","NSC783804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783804",NA,"CN1CCN(CC1)CCCNC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","BMBPEQKHTRZKEW-UHFFFAOYSA-N",122188469,NA,"PDBC50017","783804","Present",NA,NA
+"50018","NSC783805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783805",NA,"C1=CC=NC(=C1)CCOC(=O)C2=C3C=CC=CN3C4=C2C(=O)C5=C(C4=O)N=CC=C5","XHSLXZCUAQQCEJ-UHFFFAOYSA-N",122188471,NA,"PDBC50018","783805","Present",NA,NA
+"50019","NSC783806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783806",NA,"C1=CC2=C(C3=C(N2C=C1)C(=O)C4=C(C3=O)C=CC=N4)C(=O)NCCN5C=CN=C5","DAJRVIANYVMFCI-UHFFFAOYSA-N",122188463,NA,"PDBC50019","783806","Present",NA,NA
+"50020","NSC783807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783807",NA,"CCN(CC)CCCNC(=O)C1=C2C=CC=CN2C3=C1C(=O)C4=C(C3=O)N=CC=C4","OQZKRMWOMVBGNO-UHFFFAOYSA-N",122188465,NA,"PDBC50020","783807","Present",NA,NA
+"50021","NSC783833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783833",NA,"COC1=CC2=C(C=C1)C(=CC3=CC(=C(C(=C3)OC)OC)OC)C(CC2)O","ZMFSGTZTXVKBCT-GONKEYIRSA-N",118732755,NA,"PDBC50021","783833","Present",NA,NA
+"50022","NSC783835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783835",NA,"COC1=C(C=C(C=C1)C=C2C(CCC3=C(C(=C(C=C32)OC)OC)OC)O)F","ZMNZXQNJLFXABB-FVLHSZHDSA-N",118732759,NA,"PDBC50022","783835","Present",NA,NA
+"50023","NSC783837",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783837",NA,NA,NA,NA,NA,"PDBC50023","783837","Present",NA,NA
+"50024","NSC783839",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783839",NA,NA,NA,NA,NA,"PDBC50024","783839","Present",NA,NA
+"50025","NSC783893",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783893",NA,"CC(C1CCCCC1)N(CC(=O)N(CCC2=CC=C(C=C2)Cl)CC(=O)N(CC(=O)N(CCC3=CC(=C(C=C3)OC)OC)CC(=O)N(CC(=O)N)C4CCCC4OCC5=CC=CC=C5)C(C)C6CCCCC6)C(=O)CN(C)CC7=CC=CC=C7F","NUGPKPHWKJRQQV-IQNUZUQNSA-N",155810752,NA,"PDBC50025","783893","Present",NA,NA
+"50026","NSC783894",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783894",NA,"COC1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)N=C4CCCCC4=C3)N","JHCXFOPIQONMOE-UHFFFAOYSA-N",1225122,NA,"PDBC50026","783894","Present",NA,NA
+"50027","NSC783903",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783903",NA,"CC(=C(C1=CC=C(C=C1)OCCN2CCCCC2)C3=CC=C(C=C3)OC(=O)C)C4=CC=C(C=C4)Cl","BDNQLXPFMHTMBW-JBASAIQMSA-N",155805420,NA,"PDBC50027","783903","Present",NA,NA
+"50028","NSC783904",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783904",NA,"COC1=C(C=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC(=CN=C4)NS(=O)(=O)C)Cl","GGUMHBMBKGAAMD-UHFFFAOYSA-N",121416181,NA,"PDBC50028","783904","Present",NA,NA
+"50029","NSC783905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783905",NA,"CS(=O)(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl","BHXWNHYWUZHNMW-UHFFFAOYSA-N",121416191,NA,"PDBC50029","783905","Present",NA,NA
+"50030","NSC783906",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783906",NA,"CS(=O)(=O)NC1=CN=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC=CC(=C4)C#C","MBQMBAVGQJUSIA-UHFFFAOYSA-N",121416198,NA,"PDBC50030","783906","Present",NA,NA
+"50031","NSC783908",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783908",NA,"C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C=C(C=C3)C4=CN=C(N=C4)N","AXWLOWQUORKMHS-UHFFFAOYSA-N",121427547,NA,"PDBC50031","783908","Present",NA,NA
+"50032","NSC783914",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783914",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNS(=O)(=O)C4=CC5=CC=CC=C5C=C4","IZHXIGLMSGTKPT-FPISHOKTSA-N",118245701,NA,"PDBC50032","783914","Present",NA,NA
+"50033","NSC783921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783921",NA,"COC1=CC=CC(=C1)NCC2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)Cl","FHZORDFIYMGQMX-UHFFFAOYSA-N",155808837,NA,"PDBC50033","783921","Present",NA,NA
+"50034","NSC783923",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783923",NA,"C1=CC=C(C=C1)NC(=O)NC2=CC(=CC=C2)OC3=NN=C(C4=CC=CC=C43)Cl","SUSKYXAQVDNOHA-UHFFFAOYSA-N",155816682,NA,"PDBC50034","783923","Present",NA,NA
+"50035","NSC783925",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783925",NA,"C1=CC=C2C(=C1)C(=NN=C2Cl)OC3=CC=CC(=C3)NC(=O)NC4=CC(=C(C=C4)Cl)C(F)(F)F","ZPCDGMGJFZRIKK-UHFFFAOYSA-N",155810717,NA,"PDBC50035","783925","Present",NA,NA
+"50036","NSC784014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784014",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","LPOCXXICQMIVLE-ITPPLTJNSA-N",122521777,NA,"PDBC50036","784014","Present",NA,NA
+"50037","NSC784015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784015",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C34CC(C3)(C4)NC","PAEIXLVRBOMRRI-IDJYHRBWSA-N",122521779,NA,"PDBC50037","784015","Present",NA,NA
+"50038","NSC784016",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784016",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC23C4C5C2C6C3C4C56C(=O)OC)OC(=O)C)C(C)C)NC(=O)C7CCCCN7C","HSJHYWHTQQRDKI-LLCNSABDSA-N",122521603,NA,"PDBC50038","784016","Present",NA,NA
+"50039","NSC784017",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784017",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC23CC(C2)(C3)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C4CCCCN4C","IRGDWFMYGQSWSP-PGYVEPDASA-N",122521724,NA,"PDBC50039","784017","Present",NA,NA
+"50040","NSC784020",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784020",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCCN4C","SROPLVGCYGSDSO-OPHYPICJSA-N",122521723,NA,"PDBC50040","784020","Present",NA,NA
+"50041","NSC784021",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784021",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)CN(C)C","DTCUXXFPLSTAHY-IQIPMHNZSA-N",122521726,NA,"PDBC50041","784021","Present",NA,NA
+"50042","NSC784022",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784022",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C45C6C7C4C8C5C6C78NC","ABSMMVAAYXAORZ-VLOFUIBTSA-N",122521836,NA,"PDBC50042","784022","Present",NA,NA
+"50043","NSC784145",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784145",NA,"CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)N3CCCCC3)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","OUINGXKQDLOWOC-UHFFFAOYSA-N",155809093,NA,"PDBC50043","784145","Present",NA,NA
+"50044","NSC784146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784146",NA,"CC1=CC(=NC(=N1)NC2=CC=C(C=C2)C(=O)N3CCCC3)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","NIAMIHQASASGSJ-UHFFFAOYSA-N",155807424,NA,"PDBC50044","784146","Present",NA,NA
+"50045","NSC784147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784147",NA,"C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC=CC(=N3)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","HBUDAWBXHOAJQX-UHFFFAOYSA-N",155811673,NA,"PDBC50045","784147","Present",NA,NA
+"50046","NSC784174",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784174",NA,"C1=CC=C(C=C1)CCN2C(=CC(=CC3=CC=C(C=C3)Br)C2=O)C4=CC=CC=C4","HCBKZEHNSKLIKF-OQKWZONESA-N",155816408,NA,"PDBC50046","784174","Present",NA,NA
+"50047","NSC784215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784215",NA,"CC12CCC=C(CCC3C(C(=O)OC3C1O2)CN(C)C)COC(=O)C4=CC5=CC=CC=C5N4","DXISKWDWUPTSEB-PLHMHXTRSA-N",155816560,NA,"PDBC50047","784215","Present",NA,NA
+"50048","NSC784222",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784222",NA,"C1CC(CCC1O)OC2=CC=CC3=CN=C(N=C32)NC4=CC5=C(C=C4)N=CN5","FYWRWBSYRGSWIQ-UHFFFAOYSA-N",91801204,NA,"PDBC50048","784222","Present",NA,NA
+"50049","NSC784230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784230",NA,"CC1=NC2=C(CCC2)C(=N1)N3CCCC4=CC=CC=C43","HVOMWIHGTVBZEM-UHFFFAOYSA-N",155809227,NA,"PDBC50049","784230","Present",NA,NA
+"50050","NSC784233",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784233",NA,"COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCNC(=O)NC4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=C5","UZSDQVIZMYDEEC-UHFFFAOYSA-N",155810531,NA,"PDBC50050","784233","Present",NA,NA
+"50051","NSC784239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784239",NA,"COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCCNC(=O)NC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5","NLBSIZDYPZEHPY-UHFFFAOYSA-N",155805454,NA,"PDBC50051","784239","Present",NA,NA
+"50052","NSC784243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784243",NA,"COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCNC(=O)NC4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5","WVDKFCADSDXQEK-UHFFFAOYSA-N",155807917,NA,"PDBC50052","784243","Present",NA,NA
+"50053","NSC784244",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784244",NA,"COC1=CC=CC(=C1)C2=NN(C=C2C3=CC(=NC=C3)NCCCNC(=O)C4=CC(=CC=C4)C(F)(F)F)C5=CC=CC=C5","GPRPJYNBCGKLJX-UHFFFAOYSA-N",155805959,NA,"PDBC50053","784244","Present",NA,NA
+"50054","NSC784250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784250",NA,"C1=CC=C(C=C1)C(=O)NCCCNC2=NC=CC(=C2)C3=CN(N=C3C4=CC(=CC=C4)O)C5=CC=CC=C5","UIEKTDJXYGAMEM-UHFFFAOYSA-N",155809239,NA,"PDBC50054","784250","Present",NA,NA
+"50055","NSC784251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784251",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNC(=O)C5=CC=C(C=C5)F","GJKYUPNRUDJESS-UHFFFAOYSA-N",155805768,NA,"PDBC50055","784251","Present",NA,NA
+"50056","NSC784255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784255",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(C(=CC5(C)CO)C=O)C)O)C)C2C1C)C)C(=O)OC","GXKJSNWLHWWHMV-KXROOCPLSA-N",155810512,NA,"PDBC50056","784255","Present",NA,NA
+"50057","NSC784256",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784256",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(C(=CC5(C)COS(=O)(=O)C)C=O)C)O)C)C2C1C)C)C(=O)OC","SAPFIWJPENBMPH-LXWRKWFHSA-N",155811011,NA,"PDBC50057","784256","Present",NA,NA
+"50058","NSC784257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784257",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(C(=CC5(C)COC(=O)C=CC6=CC=CC=C6)C=O)C)O)C)C2C1C)C)C(=O)OC","UCUCFXIMDXIQQR-GREGKPRASA-N",155814184,NA,"PDBC50058","784257","Present",NA,NA
+"50059","NSC784258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784258",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(C(=CC5(C)COC(=O)C)C=O)C)O)C)C2C1C)C)C(=O)OC","BCNULLQVXRSQHR-BBHNXVIKSA-N",155813448,NA,"PDBC50059","784258","Present",NA,NA
+"50060","NSC784260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784260",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(=O)C5C4(C(=CC5(C)COC(=O)C6=CC=CO6)C=O)C)C)C2C1C)C)C(=O)OC","ACQFJJAVGKEXMX-FDIHOXKPSA-N",155807862,NA,"PDBC50060","784260","Present",NA,NA
+"50061","NSC784263",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784263",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC=C5C4(C(=CC5(C)COC(=O)C6=CC=CO6)C=O)C)C)C2C1C)C)C(=O)OC","HGDCTBLTMIYQOO-TWQPZTKYSA-N",155809106,NA,"PDBC50061","784263","Present",NA,NA
+"50062","NSC784264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784264",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC=C5C4(C(=CC5(C)COC(=O)C)C=O)C)C)C2C1C)C)C(=O)OC","ZOVDJWXACZAUSS-FPROFKTLSA-N",155805630,NA,"PDBC50062","784264","Present",NA,NA
+"50063","NSC784288",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784288",NA,"CC(=O)N1C(=NC2=C(C1=O)C(C3=C(O2)C4=C(S3)C(=CC=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)Cl","WOKJYCSOXKXAIU-UHFFFAOYSA-N",155810257,NA,"PDBC50063","784288","Present",NA,NA
+"50064","NSC784289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784289",NA,"CC(=O)N1C(=NC2=C(C1=O)C(C3=C(O2)C4=C(S3)C(=CC=C4)Cl)C5=CC=C(C=C5)Cl)C6=CC=C(C=C6)OC","SQMZYGAERPETAS-UHFFFAOYSA-N",155805461,NA,"PDBC50064","784289","Present",NA,NA
+"50065","NSC784310",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784310",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C3C(=C(C4=CC=CC=C43)C5=CC=CC=C5)CN(C2)S(=O)(=O)C6=CC=C(C=C6)C","LQEBEWORDYCBNG-UHFFFAOYSA-N",132509232,NA,"PDBC50065","784310","Present",NA,NA
+"50066","NSC784318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784318",NA,"CC(C)C1C(=O)OC(CC(=O)NCC2=NC(=CS2)C3=NC(CS3)(C(=O)N1)C)C=CCCS","VEDPEVJAYWVUSJ-BNVDZZMOSA-N",24938735,NA,"PDBC50066","784318","Present",NA,NA
+"50067","NSC784319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784319",NA,"CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CS2)C3=NC(CS3)(C(=O)NC(C(=O)N1)C(C)C)C","FZBLZWMNFPJGGN-SZPBEECKSA-N",42612744,NA,"PDBC50067","784319","Present",NA,NA
+"50068","NSC784320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784320",NA,"CC(C)C1C(=O)OC(CC(=O)NCC2=NC=CC(=C2)C3=NC(CS3)(C(=O)N1)C)C=CCCS","YSQNJKVHVWRCPW-FXHDEUNJSA-N",122181882,NA,"PDBC50068","784320","Present",NA,NA
+"50069","NSC784400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784400",NA,"CCCC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OCCN(CC)CC","DDFKIEYIJRDTKT-UQRQXUALSA-N",155808930,NA,"PDBC50069","784400","Present",NA,NA
+"50070","NSC784403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784403",NA,"C1=CC2=C(C=C1C3=CN=C(N=C3)N)C(=NC=N2)NC4=CC(=C(C=C4)F)Cl","IGFXMEIGZKZOLV-UHFFFAOYSA-N",121427581,NA,"PDBC50070","784403","Present",NA,NA
+"50071","NSC784404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784404",NA,"C1=CC2=C(C=C1C3=CN=C4C(=C3)C=CN4)C(=NC=N2)NC5=CC(=C(C=C5)F)Cl","NPMXMNCKTNCNPK-UHFFFAOYSA-N",121427631,NA,"PDBC50071","784404","Present",NA,NA
+"50072","NSC784405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784405",NA,"CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl","PXCDJDIXWZPVQX-UHFFFAOYSA-N",132232429,NA,"PDBC50072","784405","Present",NA,NA
+"50073","NSC784409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784409",NA,"CS(=O)(=O)NC1=CC=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CN=C4)Cl","JFOXNGQNRHWVAK-UHFFFAOYSA-N",121416176,NA,"PDBC50073","784409","Present",NA,NA
+"50074","NSC784447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784447",NA,"CN(C)CCNC1=NC2=CC=CC=C2C3=C1SC4=CC=CC=C4C3=O","AUSYHGMPLVPTPZ-UHFFFAOYSA-N",155813380,NA,"PDBC50074","784447","Present",NA,NA
+"50075","NSC784449",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784449",NA,"C1=CC=C2C(=C1)C3=C(C(=N2)NCCCNCCO)SC4=CC=CC=C4C3=O","USCOMUJGWUGLLB-UHFFFAOYSA-N",155816590,NA,"PDBC50075","784449","Present",NA,NA
+"50076","NSC784527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784527",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3=CC=CC=N3","VOGLNHSDJVKLTJ-KXCRJABJSA-N",122521608,NA,"PDBC50076","784527","Present",NA,NA
+"50077","NSC784528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784528",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)NC(C)C3=CC=CC=C3","HIUUKWQDRLLADL-CGISDMCMSA-N",122521605,NA,"PDBC50077","784528","Present",NA,NA
+"50078","NSC784529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784529",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)NC3=CC=CC=C3","PHWCRZNIYHZORX-UYAJARDASA-N",122521602,NA,"PDBC50078","784529","Present",NA,NA
+"50079","NSC784530",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784530",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)NC(C)(C)C","OQXJPJWMGIDRBI-CLCYSURZSA-N",122521614,NA,"PDBC50079","784530","Present",NA,NA
+"50080","NSC784531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784531",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C34CC(C3)(C4)NC(=O)C","JJGIOQHWRCFAIN-WJTUSEQQSA-N",122521609,NA,"PDBC50080","784531","Present",NA,NA
+"50081","NSC784532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784532",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C34C5C6C3C7C4C5C67NC(=O)C","ALRZUPMQNPLKAE-BMYLJOQESA-N",122521610,NA,"PDBC50081","784532","Present",NA,NA
+"50082","NSC784533",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784533",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C34C5C6C3C7C4C5C67NC","JOKHHIKXYOPPTA-MMOKHSCFSA-N",122521600,NA,"PDBC50082","784533","Present",NA,NA
+"50083","NSC784601",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784601",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=CC=N3)C4=C2C5=C(C=CC=N5)C(=O)N4","WMVSZKJHXSEMPJ-UHFFFAOYSA-N",155813439,NA,"PDBC50083","784601","Present",NA,NA
+"50084","NSC784602",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784602",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC3=C(C=CC=N3)C4=C2C5=C(C=CC=N5)C(=N4)N","GJXWBOPRQMRZPG-UHFFFAOYSA-N",155811996,NA,"PDBC50084","784602","Present",NA,NA
+"50085","NSC784694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784694",NA,"CCOC(=O)C1=C2C=CC=NN2C(=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","GXZOOSRJAKPXAU-UHFFFAOYSA-N",155808727,NA,"PDBC50085","784694","Present",NA,NA
+"50086","NSC784698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784698",NA,"CCOC(=O)C1=C2C=CC=NN2C(=C1)C(=O)C3=CC(=CC(=C3)OC)OC","OCNALBFMIHYASO-UHFFFAOYSA-N",155814955,NA,"PDBC50086","784698","Present",NA,NA
+"50087","NSC784700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784700",NA,"CC1=C2C(=CC=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","FABLAHMQSQFDHR-UHFFFAOYSA-N",3860640,NA,"PDBC50087","784700","Present",NA,NA
+"50088","NSC784812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784812",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC23C4C5C2C6C3C4C56C(=O)OC)OC(=O)C)C(C)C)NC(=O)CN(C)C","QHUMZPALYCQKJC-CGASUPMMSA-N",122521780,NA,"PDBC50088","784812","Present",NA,NA
+"50089","NSC784814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784814",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC23CC(C2)(C3)C(=O)OC)OC(=O)C)C(C)C)NC(=O)CN(C)C","MMBISEZEXJXBAW-SSLXDNKESA-N",122521721,NA,"PDBC50089","784814","Present",NA,NA
+"50090","NSC784818",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784818",NA,"CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)Cl","VXDOHCKTCSQQRQ-UHFFFAOYSA-N",121416169,NA,"PDBC50090","784818","Present",NA,NA
+"50091","NSC784928",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784928",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC=CC3=C2N=C(N3)C4=C5C=CNC5=CC=C4","GZJHBGSBVSNHCJ-UHFFFAOYSA-N",122195227,NA,"PDBC50091","784928","Present",NA,NA
+"50092","NSC784929",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784929",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC=CC3=C2N=C(N3)C4=CC5=C(C=C4)C=CN5","SQSZRGOISCZCTQ-UHFFFAOYSA-N",122195228,NA,"PDBC50092","784929","Present",NA,NA
+"50093","NSC784961",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784961",NA,"CCOC(=O)C1=C(N=C2C(=C1N)CC(=O)N2CC3=CC=C(C=C3)OC)C","OUMSNCMPBFKFJP-UHFFFAOYSA-N",155815161,NA,"PDBC50093","784961","Present",NA,NA
+"50094","NSC785026",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785026",NA,"C#CC(=O)NC1=CC=CC(=C1)NC2=NC3=C(CCCC3)C(=N2)NCC4=CC=CC=C4","RGBMUBAQFAVBSQ-UHFFFAOYSA-N",155805472,NA,"PDBC50094","785026","Present",NA,NA
+"50095","NSC785220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785220",NA,"CC1=C(SC=C1)C(C2=CC(=C3C=CC=NC3=C2O)Cl)NC(=O)C4=CC=CC=C4","YNQCLJVWTGPRRD-UHFFFAOYSA-N",122383780,NA,"PDBC50095","785220","Present",NA,NA
+"50096","NSC785294",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785294",NA,"CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC=CC(=C2)C3=NC(CS3)(C(=O)NC(C(=O)O1)C(C)C)C","GENMLQRMGWMMBT-FXLQIIFISA-N",122181881,NA,"PDBC50096","785294","Present",NA,NA
+"50097","NSC785295",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785295",NA,"CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CC=C2)C3=NC(CS3)(C(=O)NC(C(=O)O1)C(C)C)C","MYIDUKTYJBIPIN-RKLUHIBISA-N",122181880,NA,"PDBC50097","785295","Present",NA,NA
+"50098","NSC785296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785296",NA,"CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CC=C2)C3=NC(CS3)(C(=O)NC(C(=O)N1)C(C)C)C","LQKNDWFOFDZZAH-MOFPVRERSA-N",122181883,NA,"PDBC50098","785296","Present",NA,NA
+"50099","NSC785297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785297",NA,"CCCCCCCC(=O)SCCC=CC1CC(=O)NCC2=NC(=CO2)C3=NC(CS3)(C(=O)NC(C(=O)O1)C(C)C)C","OOTLBIRBZZTHQA-SZPBEECKSA-N",72375670,NA,"PDBC50099","785297","Present",NA,NA
+"50100","NSC785364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785364",NA,"C1=CC=C(C=C1)C(=O)C2=C(C3=C(S2)N=C(C=C3)C4=CC=CS4)N","VLMPYPADLAKYNQ-UHFFFAOYSA-N",15312306,NA,"PDBC50100","785364","Present",NA,NA
+"50101","NSC785367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785367",NA,"COC1=C(C=C(C=C1)C2=C(NN=C2)C3=CC(=C(C(=C3)OC)OC)OC)N","FZSKMZZJIONNJA-UHFFFAOYSA-N",44337542,NA,"PDBC50101","785367","Present",NA,NA
+"50102","NSC785386",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785386",NA,"COC1=CC=C(C=C1)C2=NOC=C2C3=CC(=C(C(=C3)OC)OC)OC","LFUNITCJJRHWGR-UHFFFAOYSA-N",91973763,NA,"PDBC50102","785386","Present",NA,NA
+"50103","NSC785389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785389",NA,"CC1(C2CC3=C(C=CC(=C3)C(=O)NC4=CC5=C(C=C4)C6(CCN(CC6)CCCCC#N)C(=O)N5)OC2(CC(C1O)F)C)C","XOIMXGXGGAWIAO-ABACMYBCSA-N",155812230,NA,"PDBC50103","785389","Present",NA,NA
+"50104","NSC785395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785395",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC=C5C4(C(=CC5(C)COS(=O)(=O)C)C=O)C)C)C2C1C)C)C(=O)OC","VEIDTAJLPNVATH-WWYUTXSFSA-N",155807394,NA,"PDBC50104","785395","Present",NA,NA
+"50105","NSC785396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785396",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)OC(=O)C=CC6=CC=CC=C6)C)O)C)C2C1C)C)C(=O)OC","QYIGUWAZQFTBMO-FCKNVIBOSA-N",155815326,NA,"PDBC50105","785396","Present",NA,NA
+"50106","NSC785400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785400",NA,"CCCNCC1=C2C(=CC(=C1)C)N(C(=N2)N3CCNCC3)CC4=CC(=C(C(=C4)C)F)C","BXCRJSVWJMTAEM-UHFFFAOYSA-N",155805655,NA,"PDBC50106","785400","Present",NA,NA
+"50107","NSC785403",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785403",NA,"C1CN(CCC1NC(=O)C(CC2=CNC3=CC=CC=C32)N)C(=O)C4=CNC5=CC=CC=C54","DFIOTESQXGBXBW-NRFANRHFSA-N",155813642,NA,"PDBC50107","785403","Present",NA,NA
+"50108","NSC785438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785438",NA,"CC(CC(CCO)C1=CC=CC=C1)C2=CC3=CC=CC=C3C=C2","TZNGEDNMUCFVKX-JTSKRJEESA-N",155815330,NA,"PDBC50108","785438","Present",NA,NA
+"50109","NSC785441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785441",NA,"CN(C)CCOC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)C3=CC4=CC=CC=C4C5=CC=CC=C53","OYNUVNXFQQDBMD-UHFFFAOYSA-N",3011964,NA,"PDBC50109","785441","Present",NA,NA
+"50110","NSC785448",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785448",NA,"CCN1C(=NN=C1SCC2=CC=C(C=C2)C)C3=NN(C(=C3C)C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl","HRRJOMLPDKDEKL-UHFFFAOYSA-N",155805883,NA,"PDBC50110","785448","Present",NA,NA
+"50111","NSC785453",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785453",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CNC3=CC=CC=C32","QJHGHTUUBIGVAG-CMDGGOBGSA-N",9927763,NA,"PDBC50111","785453","Present",NA,NA
+"50112","NSC785454",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785454",NA,"CC(=CC1=CC(=CC=C1)N=[N+]=[N-])C(=O)C2=CC(=C(C(=C2)OC)OCC#C)OC","QKFRBKNFHJFEDC-GXDHUFHOSA-N",155809431,NA,"PDBC50112","785454","Present",NA,NA
+"50113","NSC785455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785455",NA,"CC(=CC1=CNC2=CC=CC=C21)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","MPPKERSKNOSLQM-UKTHLTGXSA-N",21850172,NA,"PDBC50113","785455","Present",NA,NA
+"50114","NSC785502",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785502",NA,"CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(CCCC=CCCCCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCNC(=N)N)CCCNC(=N)N)CC(C)C)(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C)(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)N)CCC(=O)N)CC(C)C","CKUVXHAMRZESPD-ZTDOKYTMSA-N",155815471,NA,"PDBC50114","785502","Present",NA,NA
+"50115","NSC785503",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785503",NA,"CC(C)CC1C(=O)NC(C(=O)NC(CCCC=CCCCC(C(=O)NC(C(=O)N1)CC(C)C)(C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)C)NC(=O)C)(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)N)CCC(=O)N","PPWVUSQJRPFRHM-DAENTFNZSA-N",155806058,NA,"PDBC50115","785503","Present",NA,NA
+"50116","NSC785541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785541",NA,"COC1=C(C=C(C=C1)C=CC(=O)C(=O)C=CC2=CC(=C(C=C2)OC)OC)OC","OPKMLNNPNCDNGP-NXZHAISVSA-N",155816457,NA,"PDBC50116","785541","Present",NA,NA
+"50117","NSC785543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785543",NA,"COC1=C(C=C(C=C1)C=CC2=NN=C(O2)C=CC3=CC(=C(C=C3)OC)OC)OC","KRDNWMZXLPEMEN-MKICQXMISA-N",155813655,NA,"PDBC50117","785543","Present",NA,NA
+"50118","NSC785589",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785589",NA,"C1C(C1N)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","TYTLARZOLKJSJU-UHFFFAOYSA-N",118362864,NA,"PDBC50118","785589","Present",NA,NA
+"50119","NSC785590",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785590",NA,"C1C(C1N)C2=CC=C(C=C2)NC(=O)CCCC3=CC=C(C=C3)C(=O)NC4=C(C=CC(=C4)C5=CC=CS5)N","QOTNCTHIBHOJBC-UHFFFAOYSA-N",155808936,NA,"PDBC50119","785590","Present",NA,NA
+"50120","NSC785615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785615",NA,"C1=CC(=CC=C1C2=CC(=NC(=C2C#N)N)C3=C(C=CC(=C3)O)O)Cl","FZHOAAJNKXNPJL-UHFFFAOYSA-N",155813235,NA,"PDBC50120","785615","Present",NA,NA
+"50121","NSC785965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785965",NA,"CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=C(C=C3)F)Cl)F)OCCOC(F)F","NALRSGNHETVHKC-ONEGZZNKSA-N",130205677,NA,"PDBC50121","785965","Present",NA,NA
+"50122","NSC785967",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC785967",NA,"C1CCN(CC1)CC=CC(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C(=C(C=C4)F)Cl)F)OCCOC(F)F","NKGAXPSQXNLIET-SNAWJCMRSA-N",130205802,NA,"PDBC50122","785967","Present",NA,NA
+"50123","NSC786054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786054",NA,"CCC=CCC(CC=C1C(C=C(C1=O)Cl)CC=CCCCC(=O)OC)O","BSTVUHBNWPTCHK-BZKNOHLFSA-N",130467642,NA,"PDBC50123","786054","Present",NA,NA
+"50124","NSC786055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786055",NA,"CCC=CCC1CC=C2C(CC=CCCCC(=O)O1)C=C(C2=O)Cl","QPJSTJCZNXRKLA-FFEKFOGKSA-N",130467363,NA,"PDBC50124","786055","Present",NA,NA
+"50125","NSC786056",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786056",NA,"C1CC=CCC2C=CC(=O)C2=CCC(OC(=O)C1)CC=CCC(F)(F)F","AUKWSZDLKDIYOC-UIRHWMMOSA-N",130467334,NA,"PDBC50125","786056","Present",NA,NA
+"50126","NSC786057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786057",NA,"CCC#CCC1CC=C2C(CC=CCCCC(=O)O1)C=CC2=O","SBMBYEIWOAWFPD-GJGHEGAFSA-N",130467603,NA,"PDBC50126","786057","Present",NA,NA
+"50127","NSC786058",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786058",NA,"CCC=CCC=CCC1CC=C2C(CC=CCCC(=O)O1)C=CC2=O","IBNQWLQHKGCPPD-JNQZYWRGSA-N",155814830,NA,"PDBC50127","786058","Present",NA,NA
+"50128","NSC786062",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786062",NA,"CCCCCCCCCCCC=CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)O","ICRACVKVKFKWEA-RNBDXKMKSA-N",155807434,NA,"PDBC50128","786062","Present",NA,NA
+"50129","NSC786064",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786064",NA,"CCC=CCC=CCC(CC=C1C(C=CC1=O)CC=CCCC(=O)OC)O","VAEBIJWZHXCAIK-DVNYHINMSA-N",155809003,NA,"PDBC50129","786064","Present",NA,NA
+"50130","NSC786106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786106",NA,"COC1=C(C(=C(C=C1)C(=NO)C2=CC(=C(C(=C2)OC)OC)OC)OC)N","FAYLOSYKJBTIHH-SILNSSARSA-N",155812056,NA,"PDBC50130","786106","Present",NA,NA
+"50131","NSC786108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786108",NA,"CCOC(=O)C1=C2C(=CC(=CN2C(=C1)C(=NO)C3=CC(=C(C(=C3)OC)OC)OC)C)C","VDDSEGLBILZEGA-GFMRDNFCSA-N",155805726,NA,"PDBC50131","786108","Present",NA,NA
+"50132","NSC786110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786110",NA,"COC1=C(C=C(C=C1)C(=NO)C2=CC(=C(C(=C2F)OC)F)F)O","QFXCPMIZMCNNHC-RGEXLXHISA-N",155811976,NA,"PDBC50132","786110","Present",NA,NA
+"50133","NSC786111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786111",NA,"COC1=C(C(=C(C=C1)C(=NO)C2=CC(=C(C(=C2)OC)OC)OC)OC)N","FAYLOSYKJBTIHH-CAPFRKAQSA-N",155810458,NA,"PDBC50133","786111","Present",NA,NA
+"50134","NSC786113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786113",NA,"CC1=CC2=C(C=C(N2C=C1)C(=O)C)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5S4","MKMCRTPUQIWOSO-UHFFFAOYSA-N",155816570,NA,"PDBC50134","786113","Present",NA,NA
+"50135","NSC786148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786148",NA,"CCN1C(=O)NC2C1(CC3C2NC(=O)C4=CC=C(N34)Cl)O","NOHKQCXDGOUSDA-PZWLIILKSA-N",73672535,NA,"PDBC50135","786148","Present",NA,NA
+"50136","NSC78674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC78674",NA,"C1=CC=C(C=C1)C=CCN2C=NC(=N)C3=C2N=CN3.Cl","RXYRMPALBSMBNH-GZHPDFFISA-N",135534362,NA,"PDBC50136","78674","Present",NA,NA
+"50137","NSC786942",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786942",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCCCCCC(=O)OC)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCCCCC(=O)OC)O)O)C(C)C)O)O","KMMRTGSXFORUFY-UHFFFAOYSA-N",137300716,NA,"PDBC50137","786942","Present",NA,NA
+"50138","NSC786945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC786945",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=NCCCCC(=O)OC)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=NCCCCC(=O)OC)O)O)C(C)C)O)O","GZSJFIAESZNUFR-UHFFFAOYSA-N",137289939,NA,"PDBC50138","786945","Present",NA,NA
+"50139","NSC787092",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787092",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=CC6=CC=CC=C65","ZKNYJAGKARWECT-UHFFFAOYSA-N",155816496,NA,"PDBC50139","787092","Present",NA,NA
+"50140","NSC787104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787104",NA,"CS(=O)(=O)N(C1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)Cl)S(=O)(=O)C","CXACXYMDUUHHNU-UHFFFAOYSA-N",121416165,NA,"PDBC50140","787104","Present",NA,NA
+"50141","NSC787105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787105",NA,"COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)NS(=O)(=O)C","VLEBQGOKWCZWBO-UHFFFAOYSA-N",121416194,NA,"PDBC50141","787105","Present",NA,NA
+"50142","NSC787107",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787107",NA,"COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)NS(=O)(=O)C5CC5","IGJYJJQERGFEIJ-UHFFFAOYSA-N",121416389,NA,"PDBC50142","787107","Present",NA,NA
+"50143","NSC787108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787108",NA,"COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=CC=C4)Cl)NS(=O)(=O)CCN5CCOCC5","VBZFQSNOHIFSPS-UHFFFAOYSA-N",121416190,NA,"PDBC50143","787108","Present",NA,NA
+"50144","NSC787110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787110",NA,"C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC(=CC=C3)O)C4=CC(=NC=C4)NCCCNS(=O)(=O)C5=CC=C(C=C5)C(F)(F)F","FEHAXKMXQVOOBZ-UHFFFAOYSA-N",155809261,NA,"PDBC50144","787110","Present",NA,NA
+"50145","NSC787213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787213",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)OC(=O)C)C)O)C)C2C1C)C)C(=O)OC","WHGNLHWLDWSICD-JPKHLJCFSA-N",155810403,NA,"PDBC50145","787213","Present",NA,NA
+"50146","NSC787214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787214",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)OC(=O)C6=CC=CO6)C)O)C)C2C1C)C)C(=O)OC","YTXRATPQGAQLKG-HCQLCDECSA-N",155815399,NA,"PDBC50146","787214","Present",NA,NA
+"50147","NSC787215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787215",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)COC(=O)C)O)OC(=O)C)C)O)C)C2C1C)C)C(=O)OC","TXCYTPTWOGYWPG-HNKYICNUSA-N",155810572,NA,"PDBC50147","787215","Present",NA,NA
+"50148","NSC787216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787216",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC=C5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC","GHFYDEUDBHDQFZ-LHLIDYPQSA-N",155813409,NA,"PDBC50148","787216","Present",NA,NA
+"50149","NSC787217",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787217",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC5=C6C4(CC(=O)C(C6(CO5)C)OC(=O)C7=CC=CO7)C)C)C2C1C)C)C(=O)OC","BTQUIJQVKAGGNE-JTEHKOILSA-N",155817188,NA,"PDBC50149","787217","Present",NA,NA
+"50150","NSC787219",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787219",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC5=C6C4(C=C(C(=O)C6(CO5)C)O)C)C)C2C1C)C)C(=O)OC","ZFTRKPSBQWYTSA-YGAWVFOLSA-N",155810387,NA,"PDBC50150","787219","Present",NA,NA
+"50151","NSC787220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787220",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC5=C(C4(C)CC#N)C(CO5)(C)C=O)C)C2C1C)C)C(=O)OC","XGUAKUQYJFHGIC-NWUYUCBFSA-N",155815087,NA,"PDBC50151","787220","Present",NA,NA
+"50152","NSC787221",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787221",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)COC(=O)C)OC(=O)C)OC(=O)C)C)O)C)C2C1C)C)C(=O)OC","VCDXMESICKUVJY-NLZCESCASA-N",155807101,NA,"PDBC50152","787221","Present",NA,NA
+"50153","NSC787230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787230",NA,"CCOC1=CC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCN(CC5)C","KONPIFGGWNMOKY-UHFFFAOYSA-N",56963908,NA,"PDBC50153","787230","Present",NA,NA
+"50154","NSC787231",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787231",NA,"CC(C)OC1=CC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCNCC5","KDDHBEBXEUYFNL-UHFFFAOYSA-N",53344791,NA,"PDBC50154","787231","Present",NA,NA
+"50155","NSC787232",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787232",NA,"CCOC1=CC2=C(C=C1)C=C(C=C2)C3=NN(C4=NC=NC(=C34)N)CC5CCNCC5","DLMBMHOJKBPKLK-UHFFFAOYSA-N",53346432,NA,"PDBC50155","787232","Present",NA,NA
+"50156","NSC787236",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787236",NA,"CC1=C(C=CC(=C1)NC2=NC=NC3=CC(=C(C=C32)NC(=O)CC4CCSS4)OC)OC5=CC(=NC=C5)C","CFDDGMFDFZFEHS-UHFFFAOYSA-N",155814804,NA,"PDBC50156","787236","Present",NA,NA
+"50157","NSC787239",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787239",NA,"C1CCC(C1)C(=O)NC2=C(C=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)OCC(CO)O","HSPBGHVMTVNTCH-DEOSSOPVSA-N",155811810,NA,"PDBC50157","787239","Present",NA,NA
+"50158","NSC787248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787248",NA,"C1COCCN1C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)C6=CC=CC=C6","PWMMZOGAWPJKEC-UHFFFAOYSA-N",127044425,NA,"PDBC50158","787248","Present",NA,NA
+"50159","NSC787255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787255",NA,"C1CCN(CC1)C2=NC(=NC(=N2)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4)N6CCOCC6","NWYYWKGFCWMPHV-UHFFFAOYSA-N",127044426,NA,"PDBC50159","787255","Present",NA,NA
+"50160","NSC787274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787274",NA,"CC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3CCN(CC3)C)S(=O)(=O)C4=CC=C(C=C4)Cl","MEAKTCVTXQYNNH-UHFFFAOYSA-N",155810740,NA,"PDBC50160","787274","Present",NA,NA
+"50161","NSC787275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787275",NA,"CC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)S(=O)(=O)N3CCC(CC3)N4CCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl","WXYYNIWJJBFLPL-UHFFFAOYSA-N",155811778,NA,"PDBC50161","787275","Present",NA,NA
+"50162","NSC787449",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787449",NA,"CCNCCNC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC(=C(C=C4)Cl)Cl","XCJHKWYLFQCVNU-UHFFFAOYSA-N",137636208,NA,"PDBC50162","787449","Present",NA,NA
+"50163","NSC787450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787450",NA,"CCN(CC)CC1=C(C=CC(=C1)NC2=CC(=C(C3=NC4=CC=CC=C4N23)C#N)C(F)(F)F)O","URBISQMLCDMUSD-UHFFFAOYSA-N",155816534,NA,"PDBC50163","787450","Present",NA,NA
+"50164","NSC787451",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787451",NA,"CCN(CC)CCCC(C)NC1=CC(=C(C2=NC3=CC=CC=C3N12)C#N)C4=CC=C(C=C4)C(F)(F)F","MIKVKBIUWPKWIW-UHFFFAOYSA-N",137638358,NA,"PDBC50164","787451","Present",NA,NA
+"50165","NSC787471",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787471",NA,"CC(=O)OC1=CC=CC=C1C(=O)N=C2N(CC[Se]2)C(=O)C3=CC=CC=C3OC(=O)C","OXTPKBSPIXFIEE-UHFFFAOYSA-N",140809575,NA,"PDBC50165","787471","Present",NA,NA
+"50166","NSC787533",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787533",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC(=CC(=C4)OC)OC","ZGYCZXNCYJQEEC-OCIWOEGMSA-N",155810394,NA,"PDBC50166","787533","Present",NA,NA
+"50167","NSC787534",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787534",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CC(=CC=C4)OC","CSFQVWSTOKDWEL-MAUZZTGXSA-N",155815631,NA,"PDBC50167","787534","Present",NA,NA
+"50168","NSC787535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787535",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CC=C(C=C4)Br","POTXPVWHHORELA-NPQYOQTKSA-N",155811732,NA,"PDBC50168","787535","Present",NA,NA
+"50169","NSC787536",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787536",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=C(C=C4)OC","KGHKGTKTGHKCJZ-YDCNECLWSA-N",155810133,NA,"PDBC50169","787536","Present",NA,NA
+"50170","NSC787537",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787537",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=CC=C4OC","KNQIVQWDDWGRMZ-ZZDLNPCISA-N",155807293,NA,"PDBC50170","787537","Present",NA,NA
+"50171","NSC787539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787539",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CC=C(C=C4)OC","UAAMKYMULOJANO-JBAPYULWSA-N",155807861,NA,"PDBC50171","787539","Present",NA,NA
+"50172","NSC787549",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787549",NA,"CC1=C2C(=CC=C1)C=C(C(=O)N2)C=CC(=O)C=CC3=CC=C(C=C3)Cl","HZZBXQZXMYCZIM-MKICQXMISA-N",155805416,NA,"PDBC50172","787549","Present",NA,NA
+"50173","NSC787554",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787554",NA,"C1C2=CC=CC=C2OC3=C(N1C4=CN=CC=C4)C(=O)C5=C(C=CC(=C5C3=O)O)O","XJUMGECKQMPEPJ-UHFFFAOYSA-N",155805989,NA,"PDBC50173","787554","Present",NA,NA
+"50174","NSC787555",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787555",NA,"C1C2=CC=CC=C2OC3=C(N1C4=CC=CC(=C4)C(=O)N)C(=O)C5=C(C=CC(=C5C3=O)O)O","MYKLWNHUJQJTLG-UHFFFAOYSA-N",155813283,NA,"PDBC50174","787555","Present",NA,NA
+"50175","NSC787772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787772",NA,"COC1=C(C2=C(C=C1)C(=C(O2)C=C3C4=C(N=CC=C4)N=N3)O)CC5CCNCC5F","DLVBJFSGRMMFDS-HFHAMQQBSA-N",155815220,NA,"PDBC50175","787772","Present",NA,NA
+"50176","NSC787774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787774",NA,"COC1=C(C2=C(C=C1)C(=C(O2)C=C3C4=C(N=CC=C4)N=N3)O)CC5CCNCC5F","DLVBJFSGRMMFDS-MVKJJVDBSA-N",155809091,NA,"PDBC50176","787774","Present",NA,NA
+"50177","NSC787804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787804",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC5=C6C4(CC(=NO)C(C6(CO5)C)O)C)C)C2C1C)C)C(=O)OC","RSOQJAIYDWCWHR-ZOLZPAMHSA-N",155807437,NA,"PDBC50177","787804","Present",NA,NA
+"50178","NSC787805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787805",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(C5C4(CC(C(C5(C)CO)O)O)C)O)C)C2C1C)C)C(=O)OC","JJBIGHMCXFFZPR-JFGCDVJDSA-N",155816756,NA,"PDBC50178","787805","Present",NA,NA
+"50179","NSC787806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787806",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC5=C6C4(CC(=O)C(C6(CO5)C)O)C)C)C2C1C)C)C(=O)OC","XANFAFLMJBEKQO-ISBVRJKGSA-N",155809128,NA,"PDBC50179","787806","Present",NA,NA
+"50180","NSC787807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787807",NA,"CC1CCC2(CCC3(C(=CCC4C3(CC(=O)C5C4(CC(=O)C(C5(C)CO)O)C)C)C2C1C)C)C(=O)OC","BYCUCUOSDHNNRQ-OUKYHGNZSA-N",155811874,NA,"PDBC50180","787807","Present",NA,NA
+"50181","NSC787808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787808",NA,"CC1=C(NC(=C1CC(=O)OCC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC","VKXOOLULFNYFNL-QRVIBDJDSA-N",155812122,NA,"PDBC50181","787808","Present",NA,NA
+"50182","NSC787811",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787811",NA,"CC1=C(NC(=C1CC(=O)NCC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC","SXAOUBIPQDJKSQ-QRVIBDJDSA-N",155807267,NA,"PDBC50182","787811","Present",NA,NA
+"50183","NSC787834",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787834",NA,"C1=CC2=CC(=CN=C2C(=C1)S)C(=O)NCCC3=NC=CS3","MYNGHZGMRXNEEH-UHFFFAOYSA-N",124081114,NA,"PDBC50183","787834","Present",NA,NA
+"50184","NSC787835",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787835",NA,"CCOC1=CC=C(C=C1)N2C=C([N+]3=C2CCCCC3)C4=CC=C(C=C4)N(C)C","MMBIPPKUPZGHNL-UHFFFAOYSA-N",155816731,NA,"PDBC50184","787835","Present",NA,NA
+"50185","NSC787867",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787867",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)OCCCCCOC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","BVPUTZCUALPGIM-YQZUZBKMSA-N",121390727,NA,"PDBC50185","787867","Present",NA,NA
+"50186","NSC787956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787956",NA,"CCN1C2=CC=CC=C2OC3=C(C1=O)C=C(C=C3)NC(=O)OCC","RLHBXNGNLUURTN-UHFFFAOYSA-N",40947291,NA,"PDBC50186","787956","Present",NA,NA
+"50187","NSC787957",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787957",NA,"COCCOC(=O)NC(=O)NC1=CC=C(C=C1)C(=NO)C2=CC=C(C=C2)Cl","IQPDEJBOMPMIEQ-CJLVFECKSA-N",155815407,NA,"PDBC50187","787957","Present",NA,NA
+"50188","NSC787982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787982",NA,"CC1=CC=C(C=C1)N2C(=NNC2=S)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC(=CC=C6)O","GZYOWXDJOGQSKU-UHFFFAOYSA-N",155807193,NA,"PDBC50188","787982","Present",NA,NA
+"50189","NSC788069",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788069",NA,"CC(=O)C1=C2C=CC=CN2C(=C1)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5S4","QAPYTONUTFHVJS-UHFFFAOYSA-N",155814996,NA,"PDBC50189","788069","Present",NA,NA
+"50190","NSC788104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788104",NA,"CS(=O)(=O)C1=C(C=C(C=C1)C(F)(F)F)NC(=O)NC2=CN=C(N=C2)OC3=CC=C(C=C3)C4=C(N=CC(=C4)Cl)N","GYPOVJZOMXEUDO-UHFFFAOYSA-N",78322573,NA,"PDBC50190","788104","Present",NA,NA
+"50191","NSC788106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788106",NA,"CCC=CCC=CCC1CC=C2C(CC=CCCC(=O)O1)C=CC2=O","IBNQWLQHKGCPPD-CGRUHJGQSA-N",130467621,NA,"PDBC50191","788106","Present",NA,NA
+"50192","NSC788108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788108",NA,"CCC=CCC1CC=C2C(CC=CCCCC(=O)O1)C=CC2=O","GHFBWRGTHVTGIQ-CFBGYFAYSA-N",155810731,NA,"PDBC50192","788108","Present",NA,NA
+"50193","NSC788110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788110",NA,"CCC#CCC(CC=C1C(C=CC1=O)CC=CCCCC(=O)OC)O","MGBRYJMXAFIQCV-RLNSQZNOSA-N",117990580,NA,"PDBC50193","788110","Present",NA,NA
+"50194","NSC788111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788111",NA,"CCCCCC1CC=C2C(CC=CCCCC(=O)O1)C=CC2=O","VGVVHQXKYSPTSU-GJGHEGAFSA-N",130467368,NA,"PDBC50194","788111","Present",NA,NA
+"50195","NSC788123",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788123",NA,"C1CCC(C1)(CCCN=C(N)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3","MOBWIWCMRFKHMJ-UHFFFAOYSA-N",155812112,NA,"PDBC50195","788123","Present",NA,NA
+"50196","NSC788125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788125",NA,"C1=CC(=CC=C1NC(=NCCCOC2=CC=C(C=C2)Cl)N)Cl","KIADWGUPUNVJCJ-UHFFFAOYSA-N",155811919,NA,"PDBC50196","788125","Present",NA,NA
+"50197","NSC788126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788126",NA,"C1=CC(=CC=C1C(F)(F)F)NC(=NCCCOC2=CC=C(C=C2)Cl)N","KLMZKCDQJXHCTK-UHFFFAOYSA-N",155808957,NA,"PDBC50197","788126","Present",NA,NA
+"50198","NSC788170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788170",NA,"CC1=C(SC(=N1)NC2=CC(=C(C=C2)F)Cl)C(=O)O","WVFABLYFMLDSGF-UHFFFAOYSA-N",28690611,NA,"PDBC50198","788170","Present",NA,NA
+"50199","NSC788176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788176",NA,"CCOC(=O)C1=C(N=C(S1)NC2=CC=C(C=C2)Cl)C","QFQVBSSONVIBFL-UHFFFAOYSA-N",4766537,NA,"PDBC50199","788176","Present",NA,NA
+"50200","NSC788200",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788200",NA,"C1=CC2=C(C(=C1)C(F)(F)F)OC(=O)C(=C2)C3=CSC(=N3)NC4=CC=C(C=C4)OCCF","GOECNPWEAHFRPL-UHFFFAOYSA-N",155805584,NA,"PDBC50200","788200","Present",NA,NA
+"50201","NSC788201",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788201",NA,"COC1=CC=CC=C1NC2=NC(=CS2)C3=CC4=C(C(=CC=C4)C(F)(F)F)OC3=O","PVZJHXTVGNZLIN-UHFFFAOYSA-N",117608417,NA,"PDBC50201","788201","Present",NA,NA
+"50202","NSC788324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788324",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)OC7CCC(CC7)SN=C(N)N=C(N)N(C)C)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)OC(=O)C","UZZROUAVLJZWBL-LNGRUGTISA-N",155805810,NA,"PDBC50202","788324","Present",NA,NA
+"50203","NSC788364",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788364",NA,"CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)OC(F)(F)F)F","LPOSNDRTSSCAQB-UHFFFAOYSA-N",155813764,NA,"PDBC50203","788364","Present",NA,NA
+"50204","NSC788430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788430",NA,"C1CN(CC1C(=O)NC2=NC=C(S2)C3=CC=CC=C3)C#N","DPOQOSJMDTZFOR-LBPRGKRZSA-N",118980596,NA,"PDBC50204","788430","Present",NA,NA
+"50205","NSC788432",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788432",NA,"C1CN(CC1C(=O)NC2=CN(C=N2)C3=CC=C(C=C3)C#N)C#N","GTJHSKGLDZMWQA-ZDUSSCGKSA-N",118980215,NA,"PDBC50205","788432","Present",NA,NA
+"50206","NSC788433",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788433",NA,"C1CN(CC1C(=O)NC2=NC=C(S2)C3=CC=NC=C3)C#N","PWOVGFSZWNUABM-NSHDSACASA-N",118980605,NA,"PDBC50206","788433","Present",NA,NA
+"50207","NSC788434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788434",NA,"C1CN(CC1C(=O)NC2=NC=C3C=CC(=CC3=C2)C(=O)N)C#N","OPMHXWMODHWNRI-LBPRGKRZSA-N",118980660,NA,"PDBC50207","788434","Present",NA,NA
+"50208","NSC788604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788604",NA,"CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)C4CO4)C(C)C)OC(=O)C=CC5=CC=CC=C5","MMWITVMCPREGKY-OUGHCWOGSA-N",155809044,NA,"PDBC50208","788604","Present",NA,NA
+"50209","NSC788605",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788605",NA,"CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)C4CO4)C(C)C)OC(=O)C=CC5=CC=CC=C5","MMWITVMCPREGKY-PMCMQEFQSA-N",155815100,NA,"PDBC50209","788605","Present",NA,NA
+"50210","NSC788648",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788648",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C(=C3)I)O)CN(CC4=CC=CC=N4)CC5=CC=CC=N5","IOAJMSYATCXPDH-UHFFFAOYSA-N",155813449,NA,"PDBC50210","788648","Present",NA,NA
+"50211","NSC788649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788649",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)O)CN(CC4=CC=CC=N4)CC5=CC=CC=N5","NWHNNYSLAYXMJE-UHFFFAOYSA-N",155811983,NA,"PDBC50211","788649","Present",NA,NA
+"50212","NSC788650",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788650",NA,"COC1=CC=CC=C1[N+]2=C3CCCCCN3C(=C2)C4=CC=C(C=C4)C5=CC=CC=C5","ZXQNQLPFZBEUMQ-UHFFFAOYSA-N",123514549,NA,"PDBC50212","788650","Present",NA,NA
+"50213","NSC788706",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788706",NA,NA,NA,NA,NA,"PDBC50213","788706","Present",NA,NA
+"50214","NSC788725",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788725",NA,"CC1(C2CC=C3C(C2(C=CC1OC(=O)N)CO)CCC4(C3(CC(C4C5=COC(=O)C=C5)Cl)O)C)C","ZWVKSWXYGXZVSL-ZDQYYBRASA-N",155813368,NA,"PDBC50214","788725","Present",NA,NA
+"50215","NSC788727",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788727",NA,"CC1(C2CC=C3C(C2(C4C(C1OC(=O)N)O4)CO)CCC5(C3(CC(C5C6=COC(=O)C=C6)Cl)O)C)C","KMYIVKVGTYJHCV-OYFNOYEBSA-N",155815162,NA,"PDBC50215","788727","Present",NA,NA
+"50216","NSC788897",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788897",NA,"CC1=CC=C(C=C1)N2C(=NN=C2SC)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC(=CC=C6)O","QGJCQEGKQISZIX-UHFFFAOYSA-N",155816491,NA,"PDBC50216","788897","Present",NA,NA
+"50217","NSC788899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788899",NA,"CCN1C(=NNC1=S)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC(=CC=C5)O","OEBFXOFNAWRBGX-UHFFFAOYSA-N",155816438,NA,"PDBC50217","788899","Present",NA,NA
+"50218","NSC788966",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788966",NA,"CC(=NOC)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=NC=C4","DUSGWCLVFPMRBQ-RHANQZHGSA-N",155807295,NA,"PDBC50218","788966","Present",NA,NA
+"50219","NSC788999",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788999",NA,"COC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C(CC(=N4)C5=CC=C(C=C5)N)C6=CC=C(C=C6)Cl","YVYXRTWRIBVDKE-UHFFFAOYSA-N",155813221,NA,"PDBC50219","788999","Present",NA,NA
+"50220","NSC789000",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789000",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4C(CC(=N4)C5=CC=C(C=C5)N)C6=CC=C(C=C6)Cl","NHWXRKILCYXMMH-UHFFFAOYSA-N",155807078,NA,"PDBC50220","789000","Present",NA,NA
+"50221","NSC789001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789001",NA,"CC(=O)NC1=NC(=C(S1)C2=NC(=NC=C2)NCCNS(=O)(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)OC","NBJLDHYKGSQNDS-UHFFFAOYSA-N",155810547,NA,"PDBC50221","789001","Present",NA,NA
+"50222","NSC789007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789007",NA,"CCNC1=NC(=C(S1)C2=NC(=NC=C2)NCCNS(=O)(=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)OC","ZYYRWQBSELMARJ-UHFFFAOYSA-N",155816861,NA,"PDBC50222","789007","Present",NA,NA
+"50223","NSC789012",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789012",NA,"C1COCCN1CCC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5","IDEZETQWHATSCL-UHFFFAOYSA-N",155812269,NA,"PDBC50223","789012","Present",NA,NA
+"50224","NSC789013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789013",NA,"CN1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)OC)C5=CC=NC=C5","UPJXYFRPDYBKCV-UHFFFAOYSA-N",155815316,NA,"PDBC50224","789013","Present",NA,NA
+"50225","NSC789042",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789042",NA,"CC1=C(C2=C(N1)C=CC(=C2)F)C3=NC4=C5C=CC=NC5=C6C(=C4N3)C=CC=N6","NIRXBXIPHUTNNI-UHFFFAOYSA-N",11960271,NA,"PDBC50225","789042","Present",NA,NA
+"50226","NSC789115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789115",NA,"CCCCN1C(=O)C(=C(NC1=O)N)C2C3=C(C=CC4=CC=CC=C43)OC5=C2C(=O)N(C(=O)N5)CCCC","XWFHECOIJPTMNB-LJQANCHMSA-N",155816514,NA,"PDBC50226","789115","Present",NA,NA
+"50227","NSC789120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789120",NA,"CC1=CC(=CC(=C1)OC2=C(C=C3C(=C2)C(=O)N(C(C(=O)N3)CC(=O)N(C)O)C)NC(=O)C4=CC(=C(C(=C4Br)OC)OC)OC)C","JXWNGQYVYDAIKJ-QFIPXVFZSA-N",155807549,NA,"PDBC50227","789120","Present",NA,NA
+"50228","NSC789127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789127",NA,"C1=CC=C(C=C1)N2C(=NNC2=S)C3=NC(=C4C(=C3)C5=CC=CC=C5N4)C6=CC(=CC=C6)O","HTIHMOOUTZXDBA-UHFFFAOYSA-N",155807386,NA,"PDBC50228","789127","Present",NA,NA
+"50229","NSC789149",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789149",NA,"CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)OCC5=CC=CC=N5)Cl)Cl","RXMMAYQOSOFMRN-UHFFFAOYSA-N",121416206,NA,"PDBC50229","789149","Present",NA,NA
+"50230","NSC789150",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789150",NA,"CS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C(=CN=C3C=C2)C#N)NC4=CC(=C(C=C4)F)Cl)Cl","WEVXFHBMHZDTAQ-UHFFFAOYSA-N",121416263,NA,"PDBC50230","789150","Present",NA,NA
+"50231","NSC789194",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789194",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)OC)CCCCN6CCOCC6","BYULZJSQEJWSBP-UHFFFAOYSA-N",155812167,NA,"PDBC50231","789194","Present",NA,NA
+"50232","NSC789195",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789195",NA,"COC1=CC2=C(C=C1)N(C=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5)CCCCN6CCOCC6","YMVMKSJHKSHGNH-UHFFFAOYSA-N",155812561,NA,"PDBC50232","789195","Present",NA,NA
+"50233","NSC789237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789237",NA,"CCCCCSC1C2C(=O)C(=CC13CCNC4=C3C5=[N+]2CCC6=C5C(=C4O)N=C6)Br","WGXGTHOZTZZBGG-UHFFFAOYSA-O",155811986,NA,"PDBC50233","789237","Present",NA,NA
+"50234","NSC789274",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789274",NA,"C1CC2=C(C(C3=C(O2)C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C#N)C(=O)C1","GNRDJKFFIYBYIO-UHFFFAOYSA-N",72725385,NA,"PDBC50234","789274","Present",NA,NA
+"50235","NSC789276",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789276",NA,"C1CC2=C(C(C3=C(O2)C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)C(=O)N)C(=O)C1","OEATVMQBESSMSU-UHFFFAOYSA-N",155807499,NA,"PDBC50235","789276","Present",NA,NA
+"50236","NSC789277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789277",NA,"C1CC2=C(C(C3=C(O2)C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)S(=O)(=O)N)C(=O)C1","YXJQXCGICBEGBL-UHFFFAOYSA-N",155815327,NA,"PDBC50236","789277","Present",NA,NA
+"50237","NSC789518",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789518",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)NC(=O)CCl","FVBACBMWEZTDOY-UHFFFAOYSA-N",56839171,NA,"PDBC50237","789518","Present",NA,NA
+"50238","NSC789521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789521",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCl","PISCNZOQCXLEAX-UHFFFAOYSA-N",3100887,NA,"PDBC50238","789521","Present",NA,NA
+"50239","NSC789575",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789575",NA,"C1=CC(=CC=C1C2=CC(=NC3=C2SC(=O)N3)C(=O)NC4=CC=C(C=C4)Cl)Cl","DYOGTZIHGVZHDA-UHFFFAOYSA-N",155805589,NA,"PDBC50239","789575","Present",NA,NA
+"50240","NSC789606",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789606",NA,"CCOC(=O)C(CC1=CC=CC=C1)N2C(=C(SC2=S)C=NC3=NC=C(S3)CC4=C(C=C(C=C4)Cl)Cl)O","LEUFJLGABNOREL-IPPBACCNSA-N",155810430,NA,"PDBC50240","789606","Present",NA,NA
+"50241","NSC789694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789694",NA,"C1C(OC(=N1)C2=C(C=CC(=C2)C#N)O)C3=CC=C(C=C3)C4=CC=CC=C4","JIHOFSADISTTBZ-UHFFFAOYSA-N",155806935,NA,"PDBC50241","789694","Present",NA,NA
+"50242","NSC789696",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789696",NA,"C1C(OC(=N1)C2=C(C=CC(=C2)C#N)O)C3=CC(=CC=C3)OC4=CC=CC=C4","BIZLWSAYDDEREM-UHFFFAOYSA-N",155812213,NA,"PDBC50242","789696","Present",NA,NA
+"50243","NSC789717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789717",NA,"CCC1=CC=C(C=C1)OC2=C(N(N=C2C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Cl)O)C)C(F)(F)F","HLJMXSUEYRYBGG-UHFFFAOYSA-N",137183249,NA,"PDBC50243","789717","Present",NA,NA
+"50244","NSC789719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789719",NA,"CCC1=CC=C(C=C1)OC2=C(NN=C2C3=C(C=C(C=C3)OCCC4=CC(=CC=C4)C(F)(F)F)O)C(F)(F)F","SYDHFRVATBESBL-UHFFFAOYSA-N",137183486,NA,"PDBC50244","789719","Present",NA,NA
+"50245","NSC789721",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789721",NA,"CCC1=CC=C(C=C1)OC2=C(NN=C2C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Cl)O)C(F)(F)F","JTTDNXQDEAASFM-UHFFFAOYSA-N",137183252,NA,"PDBC50245","789721","Present",NA,NA
+"50246","NSC789741",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789741",NA,"CC1=CC(=CN2C1=C(C=C2C(=O)C)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5S4)C","GCAXQSODENRPNX-UHFFFAOYSA-N",155808669,NA,"PDBC50246","789741","Present",NA,NA
+"50247","NSC789742",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789742",NA,"CC(=O)C1=CC(=C2N1C=CC(=C2)OC)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5S4","BCMHNIFQYIRJNQ-UHFFFAOYSA-N",155813641,NA,"PDBC50247","789742","Present",NA,NA
+"50248","NSC789744",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789744",NA,"COC1=C(C=C(C=C1)CN2C3=CC=CC=C3CCC4=CC=CC=C42)F","ZZFSHTTUYZUNFE-UHFFFAOYSA-N",134156514,NA,"PDBC50248","789744","Present",NA,NA
+"50249","NSC789796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789796",NA,"COC1=CC(=CC=C1)OC2=CC=CC=C2NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43","HDMONPHKMIZXDH-UHFFFAOYSA-N",126718388,NA,"PDBC50249","789796","Present",NA,NA
+"50250","NSC789800",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789800",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCCN4C","KUQCTZDBHFNEGO-JYADXHFPSA-N",122521731,NA,"PDBC50250","789800","Present",NA,NA
+"50251","NSC789801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789801",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCN4C","BQHIFQJFKOQJKH-YKOJTFIZSA-N",122521420,NA,"PDBC50251","789801","Present",NA,NA
+"50252","NSC789802",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789802",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCN4C","LILJYURXDAFOMS-XWPXHHJHSA-N",122521419,NA,"PDBC50252","789802","Present",NA,NA
+"50253","NSC789803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789803",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C3(CC3)NC(=O)C4CCCCN4C","ZARDNQDTUPANLY-NWYFSMRYSA-N",122521601,NA,"PDBC50253","789803","Present",NA,NA
+"50254","NSC789804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789804",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C3(CCC3)NC(=O)C4CCCCN4C","LNYFUFRCOQNPPN-AVJPYTMQSA-N",122521613,NA,"PDBC50254","789804","Present",NA,NA
+"50255","NSC789805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789805",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3=CC=C(C=C3)F)NC(=O)C4CCCCN4C","LOIGMHAJYDLWIT-OFTWBVLWSA-N",122521768,NA,"PDBC50255","789805","Present",NA,NA
+"50256","NSC789806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789806",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NNC(CC2=CC=CC=C2)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCCN4C","AOUVGNQKNIBYFZ-JYADXHFPSA-N",122521769,NA,"PDBC50256","789806","Present",NA,NA
+"50257","NSC789807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789807",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","CDCLEXKRVZGCDZ-MRHPGVARSA-N",122521587,NA,"PDBC50257","789807","Present",NA,NA
+"50258","NSC789808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789808",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CCCCC3)NC(=O)C4CCCCN4C","IUEMMLIYYOTWJV-UIOOHTPSSA-N",122521586,NA,"PDBC50258","789808","Present",NA,NA
+"50259","NSC789814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789814",NA,"CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C#N)C3=CC(=C(C(=C3)OC)OC)OC","SCQUJKAKGSPOKF-UHFFFAOYSA-N",155813574,NA,"PDBC50259","789814","Present",NA,NA
+"50260","NSC789833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789833",NA,NA,NA,NA,NA,"PDBC50260","789833","Present",NA,NA
+"50261","NSC789834",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789834",NA,NA,NA,NA,NA,"PDBC50261","789834","Present",NA,NA
+"50262","NSC789880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789880",NA,"CN(C)CCS(=O)(=O)NC1=C(N=CC(=C1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)Cl","UNTCRECTCLAQRP-UHFFFAOYSA-N",121427548,NA,"PDBC50262","789880","Present",NA,NA
+"50263","NSC789881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789881",NA,"C1COCCN1CCS(=O)(=O)NC2=C(N=CC(=C2)C3=CC4=C(C=C3)N=CN=C4NC5=CC(=C(C=C5)F)Cl)Cl","KZEKKALQVPDFBJ-UHFFFAOYSA-N",121427549,NA,"PDBC50263","789881","Present",NA,NA
+"50264","NSC789941",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC789941",NA,"COC1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC=C(C=C3)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC","QQZSZORATYMFRL-FRKPEAEDSA-N",155807927,NA,"PDBC50264","789941","Present",NA,NA
+"50265","NSC790009",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790009",NA,"CCN1C(=NN=C1SC)C2=NC(=C3C(=C2)C4=CC=CC=C4N3)C5=CC(=CC=C5)O","QRYVLVAYMFFRMX-UHFFFAOYSA-N",155807640,NA,"PDBC50265","790009","Present",NA,NA
+"50266","NSC790031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790031",NA,"C1=CC=C(C=C1)NC2=C(C(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N)C4=NC5=CC=CC=C5S4","SSELQQWLXCWZBY-UHFFFAOYSA-N",155816907,NA,"PDBC50266","790031","Present",NA,NA
+"50267","NSC790067",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790067",NA,"CC(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=C(C=C3)OC)C(=O)NCC4=CC5=C(C=C4)OCO5","HFXUNRBGOXGILH-MRXNPFEDSA-N",92503693,NA,"PDBC50267","790067","Present",NA,NA
+"50268","NSC790130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790130",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3=NC=CC=N3","LMBGRDVWBMYFAJ-CLCYSURZSA-N",122521416,NA,"PDBC50268","790130","Present",NA,NA
+"50269","NSC790131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790131",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3=NC=CN=C3","VHXNYDWHTHHFHC-PAYNUJHGSA-N",122521572,NA,"PDBC50269","790131","Present",NA,NA
+"50270","NSC790132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790132",NA,"CC(C)C(CC(C1=NC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCCN4C","HBASMHUJPQYJFY-HTJBAMOESA-N",122521772,NA,"PDBC50270","790132","Present",NA,NA
+"50271","NSC790133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790133",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","YWIMQDWEVLCLKX-KKAKTOJHSA-N",122521693,NA,"PDBC50271","790133","Present",NA,NA
+"50272","NSC790134",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790134",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","DEMBWENYOAYGSY-XEXNZUFDSA-N",122521451,NA,"PDBC50272","790134","Present",NA,NA
+"50273","NSC790135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790135",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3=CC=CN3C","LOFFYJHTSWKCCC-KXCRJABJSA-N",122521807,NA,"PDBC50273","790135","Present",NA,NA
+"50274","NSC790136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790136",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)C(C)C)NC(=O)C3=NC=CN3C","UNOAYYWYQKLCQG-CLCYSURZSA-N",122521801,NA,"PDBC50274","790136","Present",NA,NA
+"50275","NSC790137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790137",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC23C4C5C2C6C3C4C56C(=O)OC)OC(=O)C)N(C)C(=O)C(C7CC7)NC(=O)C8CCCCN8C","JUYOQLHUDZERPL-CLQIKQQLSA-N",122521802,NA,"PDBC50275","790137","Present",NA,NA
+"50276","NSC790138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790138",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC23CC(C2)(C3)C(=O)OC)OC(=O)C)N(C)C(=O)C(C4CC4)NC(=O)C5CCCCN5C","QMMMFDSIDJHQIT-RUJGCPEASA-N",134494134,NA,"PDBC50276","790138","Present",NA,NA
+"50277","NSC790144",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790144",NA,"CCC(=C(C1=CC=C(C=C1)OCCN2CCCCC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)O","RKIQXAIFUALRFP-ZIADKAODSA-N",155808623,NA,"PDBC50277","790144","Present",NA,NA
+"50278","NSC790148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790148",NA,"CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN3CCCCC3)C4=CC=C(C=C4)OC","LTYPTAAQURFING-QVIHXGFCSA-N",155813693,NA,"PDBC50278","790148","Present",NA,NA
+"50279","NSC790429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790429",NA,"COC1=CC=C(C=C1)OC2=CC=CC=C2NC(=O)CNC(=O)C3=CC=CC4=CC=CC=C43","MWVUTJGWWQAYHV-UHFFFAOYSA-N",126718386,NA,"PDBC50279","790429","Present",NA,NA
+"50280","NSC790430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790430",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)NC3=CC=CC=C3OC4=CC=C(C=C4)O","LVRTUQMDTQKUDM-UHFFFAOYSA-N",126718434,NA,"PDBC50280","790430","Present",NA,NA
+"50281","NSC790431",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790431",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)NCC(=O)NC3=CC=CC=C3OC4=CC=CC(=C4)O","GXFNPHHZWRAOEU-UHFFFAOYSA-N",126718387,NA,"PDBC50281","790431","Present",NA,NA
+"50282","NSC790434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790434",NA,"C1C(N(N=C1C2=CC=C(C=C2)Cl)C=O)C3=CC(=CC=C3)NC4=C5C=CC(=CC5=NC=C4)Cl","MARTWVLNZCOXQK-UHFFFAOYSA-N",137645128,NA,"PDBC50282","790434","Present",NA,NA
+"50283","NSC790435",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790435",NA,"COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC(=CC=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)C=O","ZLLDSJJEXNKQDK-UHFFFAOYSA-N",137659653,NA,"PDBC50283","790435","Present",NA,NA
+"50284","NSC790447",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790447",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(C=C2)NC3=NC(=NC(=N3)NCCO)NCCO)C(F)(F)F","JSYZOTJTLGLUOA-XCVCLJGOSA-N",155810992,NA,"PDBC50284","790447","Present",NA,NA
+"50285","NSC790455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790455",NA,"COC1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl","USJXOUQFTMXFGK-LFYBBSHMSA-N",25114161,NA,"PDBC50285","790455","Present",NA,NA
+"50286","NSC790456",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790456",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C=CC2=CC(=CC=C2)NC3=C4C=CC(=CC4=NC=C3)Cl","CTFKVYPZJQECAE-JXMROGBWSA-N",137632733,NA,"PDBC50286","790456","Present",NA,NA
+"50287","NSC790485",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790485",NA,"CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)NC5CC(NC(C5)(C)C)(C)C","RHFDLFMYKLNDTP-CYFIQEHSSA-N",58506728,NA,"PDBC50287","790485","Present",NA,NA
+"50288","NSC790487",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790487",NA,"CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)NC(CC3=CC=C(C=C3)C4=CC=CC=C4)C(=O)NC5CC(N(C(C5)(C)C)C)(C)C","ZGDPAFLZPCFVEI-WMELESEDSA-N",155817203,NA,"PDBC50288","790487","Present",NA,NA
+"50289","NSC790562",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790562",NA,"CC1=CC=C(C=C1)C=C(C#N)N2C3=C(N=CC=C3)N=N2","OHBFMIWIKCRKJV-LCYFTJDESA-N",155811853,NA,"PDBC50289","790562","Present",NA,NA
+"50290","NSC790632",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790632",NA,"CN1CCC(CC1)CNC2=NC=NC(=C2)C3(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)F","JAPFWPKKYCBJSP-UHFFFAOYSA-N",155812553,NA,"PDBC50290","790632","Present",NA,NA
+"50291","NSC790633",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790633",NA,"CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C6=C(CCC6C(=O)OC)SC5=NC=N4","AGNBPIWNGUVZTR-UHFFFAOYSA-N",155810099,NA,"PDBC50291","790633","Present",NA,NA
+"50292","NSC790634",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790634",NA,"CN1CCN(CC1)CC2=CC=C(C=C2)NC(=O)C3=C(C=NN3)NC4=C5C6=C(CCCC6)SC5=NC=N4","VPOIJBBUEJYXGJ-UHFFFAOYSA-N",155816617,NA,"PDBC50292","790634","Present",NA,NA
+"50293","NSC790654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790654",NA,"CCN1CCN(CC1)C2=NC(=NC(=C2)C)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","HKENZGUOKPDDLE-UHFFFAOYSA-N",137636936,NA,"PDBC50293","790654","Present",NA,NA
+"50294","NSC790655",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790655",NA,"CC1=CC(=NC(=N1)N2CCCCC2)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","CTDXGYPPSNNUGO-UHFFFAOYSA-N",137641165,NA,"PDBC50294","790655","Present",NA,NA
+"50295","NSC790656",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790656",NA,"CC1=CC(=NC(=N1)N2CCOCC2)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","PCZJIHSJYQPDPQ-UHFFFAOYSA-N",137659187,NA,"PDBC50295","790656","Present",NA,NA
+"50296","NSC790657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790657",NA,"CCN1CCN(CC1)C2=NC(=CC(=N2)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6)C","AYCDSVAQRAKGOM-UHFFFAOYSA-N",137650578,NA,"PDBC50296","790657","Present",NA,NA
+"50297","NSC790658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790658",NA,"CC1=CC(=NC(=N1)N2CCCC2)N(CCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","FSMOSEAOAQGVNR-UHFFFAOYSA-N",137636969,NA,"PDBC50297","790658","Present",NA,NA
+"50298","NSC790659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790659",NA,"CCN1CCN(CC1)C2=NC(=CC(=N2)N(CCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6)C","NESNILOFQMUITI-UHFFFAOYSA-N",137659399,NA,"PDBC50298","790659","Present",NA,NA
+"50299","NSC790660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790660",NA,"C1OC2=C(O1)C=C(C=C2)CNCCCNC3=C4C=CC(=CC4=NC=C3)Cl","KMDPUNCRTTTYLF-UHFFFAOYSA-N",137635078,NA,"PDBC50299","790660","Present",NA,NA
+"50300","NSC790661",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790661",NA,"CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC5=C(C=C4)OCO5)N6CCCC6","JOYZHSMYCGSCEN-UHFFFAOYSA-N",137661964,NA,"PDBC50300","790661","Present",NA,NA
+"50301","NSC790662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790662",NA,"CC1=CC(=NC(=N1)N2CCN(CC2)C)N(CCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC6=C(C=C5)OCO6","JONWOHQYMYUSPU-UHFFFAOYSA-N",155813521,NA,"PDBC50301","790662","Present",NA,NA
+"50302","NSC790667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790667",NA,"CC1=CC(=NC(=N1)Cl)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CS4","FJZBFNDBAKKTDT-UHFFFAOYSA-N",155812173,NA,"PDBC50302","790667","Present",NA,NA
+"50303","NSC790668",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790668",NA,"CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CS4)N5CCOCC5","WWZDTXUJIPSUKV-UHFFFAOYSA-N",155812256,NA,"PDBC50303","790668","Present",NA,NA
+"50304","NSC790669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790669",NA,"CC(=CCC1=CC2=C(C=C1O)C3=C(C(O2)C=C(C)C)C(=O)C4=C(C3=O)S(=O)(=O)CCN4)C","ZDYMWSHWACROJT-UHFFFAOYSA-N",132607308,NA,"PDBC50304","790669","Present",NA,NA
+"50305","NSC790670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790670",NA,"CC(=CCC1=CC2=C(C=C1O)C3=C(C(O2)C=C(C)C)C(=O)C4=C(C3=O)NCCS4(=O)=O)C","AYOCSJHXIVDRKX-UHFFFAOYSA-N",137651377,NA,"PDBC50305","790670","Present",NA,NA
+"50306","NSC790671",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790671",NA,"CC(=CCC1=C2C(=CC(=C1)O)C3=C(C(O2)C=C(C)C)C(=O)C4=C(C3=O)S(=O)(=O)CCN4)C","BEBROZBOEIGACW-UHFFFAOYSA-N",137651802,NA,"PDBC50306","790671","Present",NA,NA
+"50307","NSC790672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790672",NA,"CC(=CCC1=C2C(=CC(=C1)O)C3=C(C(O2)C=C(C)C)C(=O)C4=C(C3=O)NCCS4(=O)=O)C","QZMAZKCZBNCGQN-UHFFFAOYSA-N",137652899,NA,"PDBC50307","790672","Present",NA,NA
+"50308","NSC790900",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790900",NA,"CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C5=C(N6C=CC=CC6=N5)NC78CC9CC(C7)CC(C9)C8)O)O)O)O)O)O)C1=C(N2C=CC=CC2=N1)NC12CC3CC(C1)CC(C3)C2","MWEQAUXONKDOFE-UHFFFAOYSA-N",155805820,NA,"PDBC50308","790900","Present",NA,NA
+"50309","NSC790901",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790901",NA,"CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C5=C(N6C=CC=CC6=N5)N)O)O)O)O)O)O)C7=C(N8C=CC=CC8=N7)N","YORNBNBNXPFSBV-UHFFFAOYSA-N",155816972,NA,"PDBC50309","790901","Present",NA,NA
+"50310","NSC790909",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790909",NA,"CC1=CC23C(=C(C4(CC4)C(C2=O)(C)O)C)C1C(=C3C(=O)OC)C(=O)OC","KRUKLNWJDVMOKH-HSECVZGPSA-N",150859968,NA,"PDBC50310","790909","Present",NA,NA
+"50311","NSC790910",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790910",NA,"CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CCCNS(=O)(=O)C","KQZMLURLEPTJGX-KRWDZBQOSA-N",45487201,NA,"PDBC50311","790910","Present",NA,NA
+"50312","NSC790974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790974",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)F)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","NOHZAMCDAHZSLN-OPHYPICJSA-N",122521423,NA,"PDBC50312","790974","Present",NA,NA
+"50313","NSC790975",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790975",NA,"CCC(C)C(C(=O)N(C)C(CCC1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)C(C)C)NC(=O)C3CCCCN3C","AUPVOCFRBVOTHG-RIQXQDLUSA-N",90304707,NA,"PDBC50313","790975","Present",NA,NA
+"50314","NSC790976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790976",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CN(C3=CC=CC=C32)C)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","OIJRTDSHYYRZIA-PRHUCGOSSA-N",122521770,NA,"PDBC50314","790976","Present",NA,NA
+"50315","NSC790978",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790978",NA,"CC(C)C(CCC1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","RWIHPZQNJVUHIP-CQTULYKTSA-N",122521380,NA,"PDBC50315","790978","Present",NA,NA
+"50316","NSC790981",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790981",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC23CC(C2)(C3)CC(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","WQNXUUZSYVGKJY-NRGLMKKFSA-N",155811002,NA,"PDBC50316","790981","Present",NA,NA
+"50317","NSC790982",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790982",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=C(C=C2)F)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C3CC3)NC(=O)C4CCCCN4C","NWCMQYUOJQTOPK-BMAWYFLISA-N",122521854,NA,"PDBC50317","790982","Present",NA,NA
+"50318","NSC790983",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790983",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC2CCC(CC2)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","RHQPUEZFTAFJBR-WZMKLFQESA-N",122521849,NA,"PDBC50318","790983","Present",NA,NA
+"50319","NSC790986",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790986",NA,"CC[N+]1=C(SC2=CC=CC=C21)C=CC=C3C(C4=CC=CC=C4N3C)(C)C","NIAOXEKTWMHVEO-UHFFFAOYSA-N",2255547,NA,"PDBC50319","790986","Present",NA,NA
+"50320","NSC790988",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790988",NA,"CCN1C2=C(C=CC(=C2)C3=NC4=CC=CC=C4S3)N(C1=CC=CC5=[N+](C6=C(N5C7=CC=CC=C7)C=CC(=C6)C8=NC9=CC=CC=C9S8)CC)C1=CC=CC=C1","XSBFPUVILZTRSY-UHFFFAOYSA-N",5759702,NA,"PDBC50320","790988","Present",NA,NA
+"50321","NSC790989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790989",NA,"CN1C2=CC=CC=C2SC1=CC3=[N+](C(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)CC=C","DCFHNESNKIDDCH-UHFFFAOYSA-N",6140198,NA,"PDBC50321","790989","Present",NA,NA
+"50322","NSC790990",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790990",NA,"CC1(C2=CC=CC=C2N(C1=CC=CC3=[N+](C4=C(S3)C=CC(=C4)OC)CC=C)C)C","ZPOHXFYSBZVFAD-UHFFFAOYSA-N",46500813,NA,"PDBC50322","790990","Present",NA,NA
+"50323","NSC791001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791001",NA,"CCCCCC(CC=C)OC1C(C(C(C(O1)C)OC(=O)C)O)OC2C(C(C(C(O2)COC(=O)CCC(=O)CCCC=C)OC(=O)C=CC3=CC=CC=C3)OC(=O)C(=CC)C)O","YXMBOADAZLFTER-VPYMFUEISA-N",155816820,NA,"PDBC50323","791001","Present",NA,NA
+"50324","NSC791024",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791024",NA,"C1COCCN1C2=CC(=O)C3=C(O2)C(=CS3)C4=CC5=C(C=C4)OCCO5","BYTKNUOMWLJVNQ-UHFFFAOYSA-N",44180156,NA,"PDBC50324","791024","Present",NA,NA
+"50325","NSC791068",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791068",NA,"CC1=CC(=CC(=C1OC)C)C(=O)C2=CC(=C(C=C2)OC)OC(=O)CCl","MZYUPCJGYBIGNH-UHFFFAOYSA-N",155811783,NA,"PDBC50325","791068","Present",NA,NA
+"50326","NSC791077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791077",NA,"CC1=CC=CN2C1=C(C=C2C(=O)C)C(=O)C3=CC4=C(C=C3)NC5=CC=CC=C5S4","IGRCLHMCFGOGPV-UHFFFAOYSA-N",155814945,NA,"PDBC50326","791077","Present",NA,NA
+"50327","NSC791093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791093",NA,"CC1=C(C=C(C=C1)NC(=O)C2=C(OC(=N2)S(=O)C)C3=CC=C(C=C3)F)NC4=NC=CC(=N4)C5=CN=CC=C5","SMLJLOXSMYOLPO-UHFFFAOYSA-N",71609264,NA,"PDBC50327","791093","Present",NA,NA
+"50328","NSC791095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791095",NA,"CC1=C(C=C(C=C1)NC(=O)C2=C(OC(=N2)S(=O)(=O)C)C3=CC=C(C=C3)F)NC4=CC5=C(C=C4)N=CN(C5=O)C","UMYAUMONRDEOEA-UHFFFAOYSA-N",86729701,NA,"PDBC50328","791095","Present",NA,NA
+"50329","NSC791097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791097",NA,"CC1=C(C=C(C=C1)NC(=O)C2=C(N=C(N2)SCCN(C)C)C3=CC=C(C=C3)F)C#CC4=CN=C5N4N=CC=C5","MAVBCBMIMAQIPF-UHFFFAOYSA-N",86729708,NA,"PDBC50329","791097","Present",NA,NA
+"50330","NSC791114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791114",NA,"CCOC(=O)C1=C(N=C2C(=C1N)CC(=O)N2CCC3=CC=CC=C3)C","WNZIVFASJUFZEO-UHFFFAOYSA-N",155812043,NA,"PDBC50330","791114","Present",NA,NA
+"50331","NSC791116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791116",NA,"CCOC(=O)C1=C(N=C2C(=C1N)C(=CC3=CC=CC=N3)C(=O)N2CC4=CC=CC=C4)C","JSILFCDDAWSWSV-AQTBWJFISA-N",155810409,NA,"PDBC50331","791116","Present",NA,NA
+"50332","NSC791128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791128",NA,"COC1=CC2=C(C=C1)C=C3CCCC4=CC5=C(C=C(C=C5)OC)OC34O2","REKLPESMBFFKPZ-UHFFFAOYSA-N",155813232,NA,"PDBC50332","791128","Present",NA,NA
+"50333","NSC791131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791131",NA,"CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CCCOC(=O)C(CC(C)C)N","VCTJKDJOJQNNTN-GCJKJVERSA-N",155805720,NA,"PDBC50333","791131","Present",NA,NA
+"50334","NSC791134",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791134",NA,"CC1=C(C2=C(C3(CC3)C(C(=O)C2=C1)(C)O)C)CCCOC(=O)NCCCl","BHRXBJFIBZONES-IBGZPJMESA-N",45487226,NA,"PDBC50334","791134","Present",NA,NA
+"50335","NSC791143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791143",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CNC5=CC=CC=C54","XEIMKDVBGIGNDT-XUVHLHGVSA-N",155816424,NA,"PDBC50335","791143","Present",NA,NA
+"50336","NSC791144",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791144",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CN(C5=CC=CC=C54)C","YXUCGRIKEPQUEQ-AXLZOJPWSA-N",155807124,NA,"PDBC50336","791144","Present",NA,NA
+"50337","NSC791145",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791145",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C=CC4=CNC5=CC=CC=C54","SWCKSLZJWHNNPE-INJOPXNBSA-N",155805748,NA,"PDBC50337","791145","Present",NA,NA
+"50338","NSC791146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791146",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=C(N=CC=C4)N","AWYWGXYMNUPXMT-FHQLBTTNSA-N",155815367,NA,"PDBC50338","791146","Present",NA,NA
+"50339","NSC791147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791147",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=CC=CC=C5O4","XQDTZAGSRSDDKR-SSZMZQGMSA-N",155807364,NA,"PDBC50339","791147","Present",NA,NA
+"50340","NSC791151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791151",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C4=NN=C(O4)SCC(=O)NC5=CC=C(C=C5)C(=O)C","FBROHXDBJWDRFA-UHFFFAOYSA-N",155805524,NA,"PDBC50340","791151","Present",NA,NA
+"50341","NSC791152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791152",NA,"CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC(=NC4=CC=CC=C43)C5=CC=C(C=C5)OC","VSANCYJRRXYRRQ-UHFFFAOYSA-N",155813359,NA,"PDBC50341","791152","Present",NA,NA
+"50342","NSC791155",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791155",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=C(C(=C5)OC)OC)OC","DQOUUUJSRWVIAX-SFQUDFHCSA-N",155816669,NA,"PDBC50342","791155","Present",NA,NA
+"50343","NSC791156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791156",NA,"COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC","MURFAKSGEGPQJS-YBFXNURJSA-N",155807531,NA,"PDBC50343","791156","Present",NA,NA
+"50344","NSC791204",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791204",NA,"B(OC(=CC(=O)C=CC1=CC(=C(C=C1)OC)OC)C=CC2=CC(=C(C=C2)OC)OC)(F)F","UZTIGZPRNGJKDS-LYINWTKYSA-N",155813614,NA,"PDBC50344","791204","Present",NA,NA
+"50345","NSC791210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791210",NA,"CC(=CCCC(=CCC1=C(C=C(C=C1O)C(=O)NC2=CC3=C(C(=C2)OC)OC4(CCC(C(C4C3)(C)C)O)C)O)C)C","ZRKYKLKOZFSVSI-XNMGKTSESA-N",137640528,NA,"PDBC50345","791210","Present",NA,NA
+"50346","NSC791211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791211",NA,"CC(=CCCC(=CCC1=C(C=C(C=C1O)NC(=O)C2=CC3=C(C(=C2)OC)OC4(CCC(C(C4C3)(C)C)O)C)O)C)C","FXJXSSSNEZYQFB-XNMGKTSESA-N",137656579,NA,"PDBC50346","791211","Present",NA,NA
+"50347","NSC791228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791228",NA,"CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(C(=CC=C4C(C5=CC=CC=C5N4CCCCCC(=O)SCCCN(CCCOC6=C(C=C(C=C6)Cl)Cl)CC#C)(C)C)CCC3)Cl)CCCCCC(=O)[O-])C","MXCWAVCQBATDBM-UHFFFAOYSA-N",155805563,NA,"PDBC50347","791228","Present",NA,NA
+"50348","NSC791267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791267",NA,"CC1C=CC(=CC2C=CC(CC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)NC(=O)C)C","JXYBYMYHURFRKT-LBJPWWINSA-N",155817200,NA,"PDBC50348","791267","Present",NA,NA
+"50349","NSC791268",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791268",NA,"CC1C=CC(=CC2C=CC(CC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)NC(=O)CCCCCC#C)C","AFXUTVVLWGGSAT-HRYBKVMZSA-N",155808641,NA,"PDBC50349","791268","Present",NA,NA
+"50350","NSC791345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791345",NA,"C1=CC(=C(C=C1Cl)C(=O)NC2=NC=C(N=C2)C(F)(F)F)O","GOSNEJFMQOZLHX-UHFFFAOYSA-N",121352729,NA,"PDBC50350","791345","Present",NA,NA
+"50351","NSC791452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791452",NA,"CCCCN1CCCCC1C(=O)NC(C(C)C)C(=O)N(C)C(CC(C2=NC(=CS2)C(=O)NC3CCC(CC3)C(=O)OC)OC(=O)C)C(C)C","REHSRFGOLPEDNZ-RYQGSQLTSA-N",122521433,NA,"PDBC50351","791452","Present",NA,NA
+"50352","NSC791456",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791456",NA,"CC1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)OC","BAUNRFNHUXJPJD-ZFABGWHFSA-N",142601564,NA,"PDBC50352","791456","Present",NA,NA
+"50353","NSC791458",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791458",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC3=CC=CC=C3C=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","WSZKKDJOBOVUMR-KIJOVSPPSA-N",155814192,NA,"PDBC50353","791458","Present",NA,NA
+"50354","NSC791459",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791459",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CCC(=O)OC)CC2=CC=CC=C2)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","BQBLFJCGWLKFSX-PTXWAVMNSA-N",142601543,NA,"PDBC50354","791459","Present",NA,NA
+"50355","NSC791460",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791460",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C(F)(F)F)C(F)(F)F)NC(=O)C3CCCCN3C","UVQLQSAWLGBINX-MYGWUIGISA-N",122521717,NA,"PDBC50355","791460","Present",NA,NA
+"50356","NSC791465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791465",NA,"CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)N=C4CCCCCC4=C3)N","QXEGKIKGMNSJTO-UHFFFAOYSA-N",127028334,NA,"PDBC50356","791465","Present",NA,NA
+"50357","NSC791468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791468",NA,"C1CCC2=CC3=C(N=C2CC1)SC(=C3N)C(=O)NC4=CC=CC5=CC=CC=C54","VYZQOPXMNOVICT-UHFFFAOYSA-N",1025256,NA,"PDBC50357","791468","Present",NA,NA
+"50358","NSC791469",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791469",NA,"CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=C(S2)N=C4CCCCCCC4=C3)N","YNBSESFXKAMSDW-UHFFFAOYSA-N",155808989,NA,"PDBC50358","791469","Present",NA,NA
+"50359","NSC791470",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791470",NA,"C1CCCC2=NC3=C(C=C2CC1)C(=C(S3)C(=O)NC4=CC=CC5=CC=CC=C54)N","FEZUVSWFIDFZBX-UHFFFAOYSA-N",23888893,NA,"PDBC50359","791470","Present",NA,NA
+"50360","NSC791511",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791511",NA,"CC1=C(C(=CC=C1)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N)C","MEQDNVDLPCVXFN-UHFFFAOYSA-N",49965881,NA,"PDBC50360","791511","Present",NA,NA
+"50361","NSC791513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791513",NA,"CC1=C(C=CC=C1Br)NC(=O)C2=C(C3=C(S2)N=C4CCN(CC4=C3)CC5=CC=CC=C5)N","QLPJEBSCSKRBMP-UHFFFAOYSA-N",155807213,NA,"PDBC50361","791513","Present",NA,NA
+"50362","NSC791528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791528",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)CCC(=O)OC5CCC6C5(CCC7C6CCC8C7(CCC(=O)C8)C)C)(C(=O)OC)O)N(C9=C4C=CC(=C9)OC)C","KWEHKHGHJCPQFT-SIAREXLISA-N",155808697,NA,"PDBC50362","791528","Present",NA,NA
+"50363","NSC791529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791529",NA,"CN1CCC(=CC1)C2=CC(=CC(=C2)NC(=O)NC3=CC(=C(C=C3)OC4=CC(=NC=C4)NC(=O)C5CC5)F)C(F)(F)F","PYEMJSXCJKFZTH-UHFFFAOYSA-N",155815170,NA,"PDBC50363","791529","Present",NA,NA
+"50364","NSC791538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791538",NA,"CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CN=C(C=C4)OCCCC5CCCCN5)F","BWEANHJCCGDBHD-UHFFFAOYSA-N",155805938,NA,"PDBC50364","791538","Present",NA,NA
+"50365","NSC791561",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791561",NA,"CC1=CC(=CC(=C1OC)C)C(=NO)C2=CC(=C(C=C2)OC)O","USBUWLOXLIOPSG-FBMGVBCBSA-N",155805836,NA,"PDBC50365","791561","Present",NA,NA
+"50366","NSC791577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791577",NA,"C1CC(=CC2=CC(=CC=C2)Cl)C(=O)N(C1)CC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4N","AAQDSSIDTDOWPD-RCCKNPSSSA-N",141437014,NA,"PDBC50366","791577","Present",NA,NA
+"50367","NSC791579",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791579",NA,"CC1=CC(=NN1)NC2=NC(=NN3C2=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5=C(C=C(C=C5)F)N","FWJQLBLNLGDLIU-UHFFFAOYSA-N",153528580,NA,"PDBC50367","791579","Present",NA,NA
+"50368","NSC791580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791580",NA,"C1COCCN1C2=NC(=NN3C2=CC=C3)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","GOTVHOSEVBCCCT-UHFFFAOYSA-N",153528601,NA,"PDBC50368","791580","Present",NA,NA
+"50369","NSC791616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791616",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC=C(C=C4)Cl","CNEGWIHBHFFSMP-GIDUJCDVSA-N",155809053,NA,"PDBC50369","791616","Present",NA,NA
+"50370","NSC791618",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791618",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(N3CC=C)C4=CC(=C(C(=C4)OC)OC)OC","MOEOJMIXDVMXSR-NTEUORMPSA-N",155808898,NA,"PDBC50370","791618","Present",NA,NA
+"50371","NSC791638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791638",NA,"CN1C2=C(C3=C(C1=O)C=C(C=C3)C4=CC=NN4)C(=O)C5=CC=CC=C52","RVODSTMZVPRWCI-UHFFFAOYSA-N",155813626,NA,"PDBC50371","791638","Present",NA,NA
+"50372","NSC791639",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791639",NA,"CN(C)CCCN1C2=C(C3=C(C1=O)C=C(C=C3)C4=CC=NN4)C(=O)C5=CC=CC=C52","VVFAQSRAGKVGKI-UHFFFAOYSA-N",155810315,NA,"PDBC50372","791639","Present",NA,NA
+"50373","NSC791765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791765",NA,"C1=CC2=C(C=C1F)N=C([Se]2)C3=CC(=C(C(=C3)Br)N)F","WVVFLWSSDIEBLB-UHFFFAOYSA-N",140870782,NA,"PDBC50373","791765","Present",NA,NA
+"50374","NSC791771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791771",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","MXKJGVXUGDTAAP-ISXGSWJYSA-N",155806014,NA,"PDBC50374","791771","Present",NA,NA
+"50375","NSC791772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791772",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCCCCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","SRFFYBJFKYINMQ-OQYRRNKCSA-N",146878718,NA,"PDBC50375","791772","Present",NA,NA
+"50376","NSC791773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791773",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCCCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","ZUPGOFHWJNBDGO-DNJXBIPXSA-N",155807470,NA,"PDBC50376","791773","Present",NA,NA
+"50377","NSC791774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791774",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","URGGRNDFKNKASV-XCGZZUKFSA-N",155816530,NA,"PDBC50377","791774","Present",NA,NA
+"50378","NSC791775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791775",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCCCCCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","FSLKEEHAEWTEQE-MSRIHQKWSA-N",155814968,NA,"PDBC50378","791775","Present",NA,NA
+"50379","NSC791776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791776",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","ZEIYMNAKPIZFOB-MYZIRJGNSA-N",155813811,NA,"PDBC50379","791776","Present",NA,NA
+"50380","NSC791789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791789",NA,"CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(CC4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCS)C)C)OC)(NC(=O)O2)O","CPWQWGDOHLEHPO-HVGPQAHESA-N",155805777,NA,"PDBC50380","791789","Present",NA,NA
+"50381","NSC791790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791790",NA,"COC1=C(C(=C2C(=C1)CC(N2)C(=O)N3CC(C4=C5C=C(NC5=C(C=C43)O)C(=O)OC)CCl)OC)OC","VGTZCVRFUUIIEA-UHFFFAOYSA-N",155812050,NA,"PDBC50381","791790","Present",NA,NA
+"50382","NSC791791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791791",NA,"CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CN=C(S3)C)C","WOSADTSUTMXILI-KKQRBIROSA-N",92043097,NA,"PDBC50382","791791","Present",NA,NA
+"50383","NSC791840",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791840",NA,"CC(=NO)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)C3=CC(=NC4=C3C=C(C=C4)OC)C5=CC=C(C=C5)Cl","WEUKJMMPWCRREA-MJXLXAJKSA-N",155807188,NA,"PDBC50383","791840","Present",NA,NA
+"50384","NSC791945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791945",NA,"CC(C1=CC2=CC=CC=C2C=C1)C3=CC(=C(C(=C3)OC)OC)OC","WYEAFSSATJAOSD-CQSZACIVSA-N",51349915,NA,"PDBC50384","791945","Present",NA,NA
+"50385","NSC791947",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC791947",NA,"CC(C1=CC2=C(C=C1)N(C=C2)C)C3=CC(=C(C(=C3)OC)OC)OC","KSMCRSWQQZCSAS-UHFFFAOYSA-N",52914800,NA,"PDBC50385","791947","Present",NA,NA
+"50386","NSC792769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792769",NA,"CCOC(=O)C1=C2C=CC(=NN2C(=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C","AMANOTBPFCKQNK-UHFFFAOYSA-N",155807435,NA,"PDBC50386","792769","Present",NA,NA
+"50387","NSC792770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792770",NA,"CCOC(=O)C1=C2C=CC(=NN2C(=C1)C(=O)C3=CC(=CC(=C3)OC)OC)C","RIJOZLXGPGFVOT-UHFFFAOYSA-N",155813297,NA,"PDBC50387","792770","Present",NA,NA
+"50388","NSC792773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792773",NA,"CCOC(=O)C1=C2C3=CC=CC=C3C=NN2C(=C1)C(=O)C4=CC(=CC(=C4)OC)OC","SJDDSPJOSVKEJK-UHFFFAOYSA-N",155811909,NA,"PDBC50388","792773","Present",NA,NA
+"50389","NSC792783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792783",NA,"CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC=C(C=C3)Cl)C4=CC=[N+](C=C4)CC(=O)C5=CC=C(C=C5)OC","PCNTUYGDZJHGCL-UHFFFAOYSA-N",155809421,NA,"PDBC50389","792783","Present",NA,NA
+"50390","NSC792784",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792784",NA,"CCOC(=O)C1=C2C=C(C=CN2C(=C1)C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=[N+](C=C4)CC(=O)C5=CC(=C(C(=C5)OC)OC)OC","NNQDPOHEQPEOJV-UHFFFAOYSA-N",155814127,NA,"PDBC50390","792784","Present",NA,NA
+"50391","NSC792786",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792786",NA,"CCOC(=O)C1=C2C=CC3=C(N2C(=C1)C(=O)C4=CC(=C(C=C4)OC)OC)C5=C(C=CC=N5)C=C3","LSIPHIFJYRVOCD-UHFFFAOYSA-N",155816663,NA,"PDBC50391","792786","Present",NA,NA
+"50392","NSC792790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792790",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NCCNS(=O)(=O)C5=CC=C(C=C5)F)Cl","PNLWCVUNBPKMIA-UHFFFAOYSA-N",155806309,NA,"PDBC50392","792790","Present",NA,NA
+"50393","NSC792792",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792792",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=C(C=C4)NC(=O)NCCCNC(=O)C5=CC=CC=C5)Cl","RRHVWDSZITWFRL-UHFFFAOYSA-N",155816572,NA,"PDBC50393","792792","Present",NA,NA
+"50394","NSC792793",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792793",NA,"C1=CC(=CC=C1C(=O)NCCNC(=O)NC2=CC=C(C=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)O)C5=CC=NC=C5)F","NBFOJVFMNHFLTE-UHFFFAOYSA-N",155810198,NA,"PDBC50394","792793","Present",NA,NA
+"50395","NSC792794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792794",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)CCN5CCN(CC5)C6=CC=CC=C6)Cl","AHMXOBUGVQCJHF-UHFFFAOYSA-N",155812012,NA,"PDBC50395","792794","Present",NA,NA
+"50396","NSC792796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792796",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NCCNS(=O)(=O)C5=CC=C(C=C5)Cl)Cl","CKWWFQKFBMGFTC-UHFFFAOYSA-N",155805717,NA,"PDBC50396","792796","Present",NA,NA
+"50397","NSC792797",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792797",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)NCCNC(=O)C5=CC=CC=C5)Cl","LVWJERHKDPIAII-UHFFFAOYSA-N",155807381,NA,"PDBC50397","792797","Present",NA,NA
+"50398","NSC792798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792798",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)CCN5CCN(CC5)CC6=CC=CC=C6)Cl","MIJSANCLMSBLAB-UHFFFAOYSA-N",155807449,NA,"PDBC50398","792798","Present",NA,NA
+"50399","NSC792799",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792799",NA,"COC1=C(C=CC(=C1)C2=NN(C=C2C3=CC=NC=C3)C4=CC=CC(=C4)NC(=O)CCNC5=CC=C(C=C5)N6CCOCC6)Cl","UXNRFSBMPPNIMD-UHFFFAOYSA-N",155816513,NA,"PDBC50399","792799","Present",NA,NA
+"50400","NSC792802",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792802",NA,"CCN1CCN(CC1)CCC(=O)NC2=CC(=CC=C2)N3C=C(C(=N3)C4=CC(=C(C=C4)Cl)OC)C5=CC=NC=C5","KYADEHTYBROPGP-UHFFFAOYSA-N",155816333,NA,"PDBC50400","792802","Present",NA,NA
+"50401","NSC792813",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792813",NA,"C1CC1C2=NC3=CC=CC=C3C(=C2C=CC=CC(=O)C4=CC=CS4)C5=CC=C(C=C5)F","AKANEUGIJVHIRJ-TUXQVTDXSA-N",155811795,NA,"PDBC50401","792813","Present",NA,NA
+"50402","NSC792850",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792850",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCC3=CC=C(C=C3)Cl)OC","ZQPBSOJDEZEMCA-NTUHNPAUSA-N",5755161,NA,"PDBC50402","792850","Present",NA,NA
+"50403","NSC792851",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792851",NA,"CC(=O)C=CC1=CC=C(C=C1)OCC2=CC=C(C=C2)Cl","GDPAWDHQMVETLE-NSCUHMNNSA-N",82184714,NA,"PDBC50403","792851","Present",NA,NA
+"50404","NSC792852",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792852",NA,"COC1=C(C=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(F)(F)F)OC)OC","UOWANSQGNMIVOY-JXMROGBWSA-N",25685798,NA,"PDBC50404","792852","Present",NA,NA
+"50405","NSC792853",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792853",NA,"CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=C3COC4=CC=CC=C4C3=O","WXSWGVIMSNCMHB-LTGZKZEYSA-N",92970773,NA,"PDBC50405","792853","Present",NA,NA
+"50406","NSC792854",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792854",NA,"CC(=O)C=CC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(C)(C)C","YEFAICMCPIANIW-AATRIKPKSA-N",155816923,NA,"PDBC50406","792854","Present",NA,NA
+"50407","NSC792856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792856",NA,"CC(=O)C=CC1=CC=C(C=C1)N(CCO)CC2=CC=C(C=C2)C(C)(C)C","ZCNNYMWNUPPVEO-AATRIKPKSA-N",155805940,NA,"PDBC50407","792856","Present",NA,NA
+"50408","NSC792857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792857",NA,"CC(=O)C=CC1=CC=C(C=C1)N(C)CC2=CC=C(C=C2)C(C)(C)C","VWHHNWJKEUZHDV-VOTSOKGWSA-N",155811871,NA,"PDBC50408","792857","Present",NA,NA
+"50409","NSC792858",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792858",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl","SANQMGJQDWWTDE-NTEUORMPSA-N",8829221,NA,"PDBC50409","792858","Present",NA,NA
+"50410","NSC792974",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792974",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCC4=CNC5=CC=CC=C54","JYHYVLBXGLGGEN-QKFLWJKASA-N",155808551,NA,"PDBC50410","792974","Present",NA,NA
+"50411","NSC793106",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793106",NA,"CC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)NC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)OC","IEWDHJUPDJSHBO-UHFFFAOYSA-N",27505776,NA,"PDBC50411","793106","Present",NA,NA
+"50412","NSC793122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793122",NA,"COC1=CC(=C(C=C1)OC)NCC(=O)N2C(=CC(=N2)C=CC3=CC(=C(C=C3)O)OC)C=CC4=CC(=C(C=C4)O)OC","SZNQLIWBERUBRJ-OZDSWYPASA-N",155813392,NA,"PDBC50412","793122","Present",NA,NA
+"50413","NSC793129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793129",NA,"CC1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)O","UNVBOEDTQWMUAB-AHPWQHIXSA-N",142601606,NA,"PDBC50413","793129","Present",NA,NA
+"50414","NSC793130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793130",NA,"CC1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)OC","KKZKYNONYRVHKX-AHPWQHIXSA-N",142601549,NA,"PDBC50414","793130","Present",NA,NA
+"50415","NSC793131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793131",NA,"CC1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)O","WANZWKBJSGDOGK-SPJBSYPASA-N",155808736,NA,"PDBC50415","793131","Present",NA,NA
+"50416","NSC793132",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793132",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C)NC(=O)C3CCCCN3C","SFXZKDJFYWHWTC-PLACZKGKSA-N",155805659,NA,"PDBC50416","793132","Present",NA,NA
+"50417","NSC793136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793136",NA,"CCCCC(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OCC)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","CQQHTMKQGHOCOH-GZZYFNPRSA-N",155808561,NA,"PDBC50417","793136","Present",NA,NA
+"50418","NSC793137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793137",NA,"CCCCC(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OCC)OC(=O)C)C(C)C)NC(=O)C3CCCN3C","KPIARVYSTCFNSP-VCZAABBESA-N",155805538,NA,"PDBC50418","793137","Present",NA,NA
+"50419","NSC793138",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793138",NA,"CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC(C(C)C)N(C)C(=O)C(CCC(C)C)NC(=O)C3CCCCN3C)OC(=O)C","FJPDKSRWESDPSA-YBMWWVFYSA-N",155810160,NA,"PDBC50419","793138","Present",NA,NA
+"50420","NSC793144",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793144",NA,"CC1C=CC(=CC2C=CC(CC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)NS(=O)(=O)C)C","XMPMIRDIIGGBON-HIKVSJAYSA-N",155812024,NA,"PDBC50420","793144","Present",NA,NA
+"50421","NSC793145",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793145",NA,"CC1C=CC(=CC2C=CC(CC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)NC)C","ZNQCEWTVWZGCCE-HIKVSJAYSA-N",155813772,NA,"PDBC50421","793145","Present",NA,NA
+"50422","NSC793146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793146",NA,"CC1C=CC(=CC2C=CC(CC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)NC(=O)OC)C","IQTCJBYCRUBFPU-WIUKDWKASA-N",155808560,NA,"PDBC50422","793146","Present",NA,NA
+"50423","NSC793147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793147",NA,"CC1C=CC(=CC2C=CCCC2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C(C)C)O)C)C)C","OFWXCFKIJFWMNG-ORRDCMSYSA-N",155805825,NA,"PDBC50423","793147","Present",NA,NA
+"50424","NSC793176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793176",NA,"B(OC(=CC(=O)C=CC1=C(C(=C(C=C1)OC)OC)OC)C=CC2=C(C(=C(C=C2)OC)OC)OC)(F)F","WWFUXSZQCBBMNC-WBOAZNIYSA-N",155808964,NA,"PDBC50424","793176","Present",NA,NA
+"50425","NSC793309",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793309",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","YFRGZGAVCBRCAL-LXBVKJRYSA-N",121390679,NA,"PDBC50425","793309","Present",NA,NA
+"50426","NSC793311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793311",NA,"CC12CCC=C(CCC3C(C(=O)OC3C1O2)CN(C)C)COC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","BFTVDRNABPGGAZ-GJDGRRQYSA-N",155814964,NA,"PDBC50426","793311","Present",NA,NA
+"50427","NSC793316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793316",NA,"CC12CCC=C(CCC3C(C(=O)OC3C1O2)CNCCOCCOCC(=O)NC4=C(C(=C(C=C4)OC)C(=O)N)O)COC(=O)OCC5=CCCC6(C(O6)C7C(CC5)C(C(=O)O7)CN(C)C)C","ZQSCXXCTWIZMDN-GMRRARFTSA-N",155811786,NA,"PDBC50427","793316","Present",NA,NA
+"50428","NSC793325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793325",NA,"COC1=CC=C(C=C1)N2C(=NN=C2C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)NC(=O)CCCl","IYSLAGWPLFDPMY-UHFFFAOYSA-N",155812057,NA,"PDBC50428","793325","Present",NA,NA
+"50429","NSC793589",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793589",NA,"CCOC(=O)C1=C(N=C2C(=C1N)C(=CC3=CC=C(C=C3)OC)C(=O)N2CC4=CC=C(C=C4)F)C","KODDBDYGKNPKQX-MOSHPQCFSA-N",155816712,NA,"PDBC50429","793589","Present",NA,NA
+"50430","NSC793593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793593",NA,"CC1=CC(=NC(=N1)N)N2CCCC(C2)CCC3=CC(=CC=C3)OC","GYJXZDRHVLPNDT-UHFFFAOYSA-N",56883153,NA,"PDBC50430","793593","Present",NA,NA
+"50431","NSC793595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793595",NA,"CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)CCC3=CC=C(O3)C","FLCSWZFQFSWVLK-UHFFFAOYSA-N",1095929,NA,"PDBC50431","793595","Present",NA,NA
+"50432","NSC793639",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793639",NA,"COC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC=C(C=C3)F","OISRGGAGDCVQQV-UHFFFAOYSA-N",78738025,NA,"PDBC50432","793639","Present",NA,NA
+"50433","NSC793640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793640",NA,"COC1=CC2=C(C=C1)C(C(=C(O2)N)C#N)C3=CC(=C(C=C3)F)F","HWVPIGBUNBADTM-UHFFFAOYSA-N",155813536,NA,"PDBC50433","793640","Present",NA,NA
+"50434","NSC793641",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793641",NA,"CC(=O)N(C1=C(C(C2=C(O1)C=C(C=C2)OC)C3=CC=C(C=C3)F)C#N)C(=O)C","VBPCNBIEGCLCLL-UHFFFAOYSA-N",155814999,NA,"PDBC50434","793641","Present",NA,NA
+"50435","NSC793642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793642",NA,"CCOC(=O)C1=C(OC2=C(C1C3=CC(=C(C=C3)F)F)C=CC(=C2)OC)N","UXFYYIUGQNYPFN-UHFFFAOYSA-N",155815337,NA,"PDBC50435","793642","Present",NA,NA
+"50436","NSC793647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793647",NA,"CC1=NC=CC2=C1N(C3=C2C=CC(=C3)OCC4=CN(N=N4)C5=CC=C(C=C5)Br)CCCC6=CC=CC=C6","YKYGAWPFXLCCLJ-UHFFFAOYSA-N",155811882,NA,"PDBC50436","793647","Present",NA,NA
+"50437","NSC793694",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793694",NA,"C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(F)(F)F","RSOXZOFDCJMRMK-IOSLPCCCSA-N",118636125,NA,"PDBC50437","793694","Present",NA,NA
+"50438","NSC793707",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793707",NA,"CCC1=CC=CC(=C1NC(=O)C2=C(C3=C(S2)N=C4CCCCCC4=C3)N)C","TUPRCUIUHAFHJG-UHFFFAOYSA-N",155816668,NA,"PDBC50438","793707","Present",NA,NA
+"50439","NSC793787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793787",NA,"CC(C)(CN=C(N)NC1=NC=C(C=C1)C(=O)OC)COC2=CC=C(C=C2)C(F)(F)F","VEAYXOXCGRXRHN-UHFFFAOYSA-N",155813361,NA,"PDBC50439","793787","Present",NA,NA
+"50440","NSC793789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793789",NA,"CC(C)(CCN=C(N)NC1=CC=CC=N1)C2=CC=C(C=C2)C(F)(F)F","VDMCKISEBKIKBO-UHFFFAOYSA-N",155813688,NA,"PDBC50440","793789","Present",NA,NA
+"50441","NSC793836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793836",NA,"COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NN=C(O3)C4=CC(=C(C(=C4)OC)OC)OC","FWDRRWVJWODFIZ-VGOFMYFVSA-N",155815238,NA,"PDBC50441","793836","Present",NA,NA
+"50442","NSC793903",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793903",NA,NA,NA,NA,NA,"PDBC50442","793903","Present",NA,NA
+"50443","NSC793990",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793990",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)OC)CCCN6CCCCC6","CEADUIRXXQCUMP-UHFFFAOYSA-N",155817214,NA,"PDBC50443","793990","Present",NA,NA
+"50444","NSC793991",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793991",NA,"COC1=CC2=C(C=C1)N(C=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5)CCCN6CCCCC6","RKMDAEACAHIJFZ-UHFFFAOYSA-N",155807326,NA,"PDBC50444","793991","Present",NA,NA
+"50445","NSC793992",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793992",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)Br)CCCN6CCCCC6","MRDVAUHOQINPGB-UHFFFAOYSA-N",155805565,NA,"PDBC50445","793992","Present",NA,NA
+"50446","NSC793993",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC793993",NA,"C1CCN(CC1)CCCN2C=C(C3=C2C=CC(=C3)Br)C4=NC(=CS4)C5=CNC6=C5C=CC=N6","DMPLCIPNUDMNJW-UHFFFAOYSA-N",155812551,NA,"PDBC50446","793993","Present",NA,NA
+"50447","NSC794012",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794012",NA,"C1CCN(CC1)CCCCN2C=C(C3=C2C=CC(=C3)F)C4=NC(=CS4)C5=CNC6=C5C=CC=N6","WWRYRDCQESULDG-UHFFFAOYSA-N",155813262,NA,"PDBC50447","794012","Present",NA,NA
+"50448","NSC794013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794013",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)F)CCCCN6CCCCC6","LORPOIQDDOTIJR-UHFFFAOYSA-N",155815191,NA,"PDBC50448","794013","Present",NA,NA
+"50449","NSC794014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794014",NA,"COC1=CC2=C(C=C1)N(C=C2C3=NC(=CS3)C4=CNC5=C4C=CC=N5)CCCCN6CCCCC6","BKRKIEYBPZGVGT-UHFFFAOYSA-N",155813802,NA,"PDBC50449","794014","Present",NA,NA
+"50450","NSC794015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794015",NA,"CN1C=C(C2=C1N=CC=C2)C3=CSC(=N3)C4=CN(C5=C4C=C(C=C5)OC)CCCCN6CCCCC6","BWFQLBKGNLAGBU-UHFFFAOYSA-N",155816453,NA,"PDBC50450","794015","Present",NA,NA
+"50451","NSC794093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794093",NA,"CCCCCC1CC=C2C(CC=CCCCC(=O)O1)C=C(C2=O)Cl","ZOWNCUQNSPIHFR-OXBNUMMXSA-N",130467655,NA,"PDBC50451","794093","Present",NA,NA
+"50452","NSC794094",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794094",NA,"CCCCCC1CC=C2C(CC=CCCCC(=O)OC(CC=C3C(CC=CCCCC(=O)O1)C=CC3=O)CCCCC)C=CC2=O","PYXBWFFJLLDSNW-KHGVLYBHSA-N",130467373,NA,"PDBC50452","794094","Present",NA,NA
+"50453","NSC794095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794095",NA,"CCCCCC1CC=C2C(CC=CCCCC(=O)OC(CC=C3C(CC=CCCCC(=O)O1)C=C(C3=O)Cl)CCCCC)C=C(C2=O)Cl","MGJBSCJJTZLOAQ-NZGBFQAGSA-N",130467314,NA,"PDBC50453","794095","Present",NA,NA
+"50454","NSC794096",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794096",NA,"C1CC=CCC2C=C(C(=O)C2=CCC(OC(=O)CCCC=CCC3C=C(C(=O)C3=CCC(OC(=O)C1)CCCCC(F)(F)F)Cl)CCCCC(F)(F)F)Cl","OTUYFBBOIIBLOJ-GRWMVQBQSA-N",130467730,NA,"PDBC50454","794096","Present",NA,NA
+"50455","NSC794097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794097",NA,"CCCCCC1CC=C2C(CC=CCCCC(=O)OC(CC=C3C(CC=CCCCC(=O)OC(CC=C4C(CC=CCCCC(=O)O1)C=CC4=O)CCCCC)C=CC3=O)CCCCC)C=CC2=O","ULDYQZNYZMFHLA-QXYUJABFSA-N",155810493,NA,"PDBC50455","794097","Present",NA,NA
+"50456","NSC794100",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794100",NA,"CCCCCC1CC=C2C(CC=CCCCC(=O)OC(CC=C3C(CC=CCCCC(=O)OC(CC=C4C(CC=CCCCC(=O)OC(CC=C5C(CC=CCCCC(=O)O1)C=CC5=O)CCCCC)C=CC4=O)CC=CCC)C=CC3=O)CCCCC)C=CC2=O","ZAFVERZSRAMUSK-OKNDVWSWSA-N",155808543,NA,"PDBC50456","794100","Present",NA,NA
+"50457","NSC794112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794112",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CNC5=CC=CC=C54","VOSYYVVFRFJSNC-CFMNMBJRSA-N",155811000,NA,"PDBC50457","794112","Present",NA,NA
+"50458","NSC794113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794113",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CNC5=CC=CC=C54","LDVGEZQCQJMNTN-GNFZPIPTSA-N",155810104,NA,"PDBC50458","794113","Present",NA,NA
+"50459","NSC794114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794114",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC5=CC=CC=C5N4","FUICCADLWFHAGH-KEOQQOJISA-N",155808719,NA,"PDBC50459","794114","Present",NA,NA
+"50460","NSC794118",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794118",NA,"COC1=CC=C(C=C1)C2C(=C(OC3=C2SC4=C3C=CC=C4F)N)C#N","PPHPCQYTLGXZET-UHFFFAOYSA-N",155816387,NA,"PDBC50460","794118","Present",NA,NA
+"50461","NSC794120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794120",NA,"C1=CC2=C(C(=C1)F)SC3=C2OC(=C(C3C4=CC=C(C=C4)Cl)C#N)N","BSZJIJSJYWJYFA-UHFFFAOYSA-N",155807343,NA,"PDBC50461","794120","Present",NA,NA
+"50462","NSC794151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794151",NA,"CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)Cl","LOJKANYEWLGKIL-UHFFFAOYSA-N",137650622,NA,"PDBC50462","794151","Present",NA,NA
+"50463","NSC794152",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794152",NA,"CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCCCC5","YWCAYXKIZFFNLZ-UHFFFAOYSA-N",137657004,NA,"PDBC50463","794152","Present",NA,NA
+"50464","NSC794153",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794153",NA,"CC1=CC(=NC(=N1)N(CCCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCOCC5","XFVUUWREWILVJQ-UHFFFAOYSA-N",137648565,NA,"PDBC50464","794153","Present",NA,NA
+"50465","NSC794154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794154",NA,"CC1=CC(=NC(=N1)N2CCN(CC2)C)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CO5","WTQAYKWNODGGNP-UHFFFAOYSA-N",137638976,NA,"PDBC50465","794154","Present",NA,NA
+"50466","NSC794156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794156",NA,"CCN1CCN(CC1)C2=NC(=CC(=N2)N(CCCNC3=C4C=CC(=CC4=NC=C3)Cl)CC5=CC=CO5)C","TUYJQSQONAOENX-UHFFFAOYSA-N",137634613,NA,"PDBC50466","794156","Present",NA,NA
+"50467","NSC794157",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794157",NA,"CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)Cl","WVWNYZJSJHYWJG-UHFFFAOYSA-N",137657482,NA,"PDBC50467","794157","Present",NA,NA
+"50468","NSC794158",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794158",NA,"CC1=CC(=NC(=N1)Cl)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4","FSMYAKRWUSVIBM-UHFFFAOYSA-N",137655273,NA,"PDBC50468","794158","Present",NA,NA
+"50469","NSC794159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794159",NA,"CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCN(CC5)C","YYSIVWOZIFYAHL-UHFFFAOYSA-N",137651581,NA,"PDBC50469","794159","Present",NA,NA
+"50470","NSC794160",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794160",NA,"CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCCC5","XJYKNFMSBUSDNQ-UHFFFAOYSA-N",137633177,NA,"PDBC50470","794160","Present",NA,NA
+"50471","NSC794161",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794161",NA,"CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCCCC5","DXVKTEICJNZTBW-UHFFFAOYSA-N",137654720,NA,"PDBC50471","794161","Present",NA,NA
+"50472","NSC794162",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794162",NA,"CC1=CC(=NC(=N1)N(CCNC2=C3C=CC(=CC3=NC=C2)Cl)CC4=CC=CO4)N5CCOCC5","XOCWMPVKCKFKCN-UHFFFAOYSA-N",137646666,NA,"PDBC50472","794162","Present",NA,NA
+"50473","NSC794163",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794163",NA,"CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCCC5","NTCIUUUDLVGOBA-UHFFFAOYSA-N",155807261,NA,"PDBC50473","794163","Present",NA,NA
+"50474","NSC794164",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794164",NA,"CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCCCC5","AMFYJVASDYNJFY-UHFFFAOYSA-N",155808844,NA,"PDBC50474","794164","Present",NA,NA
+"50475","NSC794165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794165",NA,"CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCSCC5","QHLUAOBDWCHLJN-UHFFFAOYSA-N",155809039,NA,"PDBC50475","794165","Present",NA,NA
+"50476","NSC794166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794166",NA,"CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCN(CC5)C","IGKNQRVMPIMWLK-UHFFFAOYSA-N",155806293,NA,"PDBC50476","794166","Present",NA,NA
+"50477","NSC794167",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794167",NA,"CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCCCCC5","DRIQWGFGTFLPTO-UHFFFAOYSA-N",155816525,NA,"PDBC50477","794167","Present",NA,NA
+"50478","NSC794168",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794168",NA,"CC1=CC(=NC(=N1)N2CCCCCC2)NC3CCCC(C3)NC4=C5C=CC(=CC5=NC=C4)Cl","FCKCSOOSMSISPD-LEWJYISDSA-N",155811964,NA,"PDBC50478","794168","Present",NA,NA
+"50479","NSC794169",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794169",NA,"CC1=CC(=NC(=N1)NC2CCCC(C2)NC3=C4C=CC(=CC4=NC=C3)Cl)N5CCOCC5","IQMVZPLDYCDUPW-RBUKOAKNSA-N",155812046,NA,"PDBC50479","794169","Present",NA,NA
+"50480","NSC794170",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794170",NA,"C1=CC=C2C(=C1)C(=NC(=N2)Cl)NCCNC3=C4C=CC(=CC4=NC=C3)Cl","STIRKWHXVOLJEK-UHFFFAOYSA-N",117827368,NA,"PDBC50480","794170","Present",NA,NA
+"50481","NSC794171",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794171",NA,"C1COCCN1C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","RFCOLSOQVPPWHV-UHFFFAOYSA-N",71735311,NA,"PDBC50481","794171","Present",NA,NA
+"50482","NSC794172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794172",NA,"C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","NKZVOSLCRCKRIS-UHFFFAOYSA-N",117827473,NA,"PDBC50482","794172","Present",NA,NA
+"50483","NSC794173",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794173",NA,"CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCNC4=C5C=CC(=CC5=NC=C4)Cl","YJEILLVSXKAXRW-UHFFFAOYSA-N",71735315,NA,"PDBC50483","794173","Present",NA,NA
+"50484","NSC794176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794176",NA,"CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCCNC4=C5C=CC(=CC5=NC=C4)Cl","OLYPWMLJYFAAEW-UHFFFAOYSA-N",155815036,NA,"PDBC50484","794176","Present",NA,NA
+"50485","NSC794177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794177",NA,"CCN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCCNC4=C5C=CC(=CC5=NC=C4)Cl","ZVNZQYZUHNDMDC-UHFFFAOYSA-N",155813675,NA,"PDBC50485","794177","Present",NA,NA
+"50486","NSC794179",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794179",NA,"CN1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","FEBQBWXXMHMWST-UHFFFAOYSA-N",155809023,NA,"PDBC50486","794179","Present",NA,NA
+"50487","NSC794182",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794182",NA,"C1COCCN1C2=NC3=CC=CC=C3C(=N2)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","XRMDQIGHPSTSRL-UHFFFAOYSA-N",155815305,NA,"PDBC50487","794182","Present",NA,NA
+"50488","NSC794183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794183",NA,"C1CCN(CC1)C2=NC3=CC=CC=C3C(=N2)NCCCCNC4=C5C=CC(=CC5=NC=C4)Cl","MNLGTJJHDHJCQP-UHFFFAOYSA-N",155810471,NA,"PDBC50488","794183","Present",NA,NA
+"50489","NSC794184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794184",NA,"COC1=CC=C(C=C1)C2=NC(=NC(=C2)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)Cl)N6CCOCC6","QUEYFJLMRVRVOI-UHFFFAOYSA-N",155805758,NA,"PDBC50489","794184","Present",NA,NA
+"50490","NSC794212",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794212",NA,"CCN(CC)C1=CC2=C(C=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)SC","SGOXZLUDBWBVSP-UHFFFAOYSA-N",137641701,NA,"PDBC50490","794212","Present",NA,NA
+"50491","NSC794213",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794213",NA,"COC1=CC=C(C=C1)SC2C3=CC(=C(C=C3OC4=C2C(=C(C(=N4)N)C#N)N)OC)OC","RTQJTIWTZGISCW-UHFFFAOYSA-N",155805750,NA,"PDBC50491","794213","Present",NA,NA
+"50492","NSC794214",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794214",NA,"COC1=C(C=C2C(=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)SC)OC","XBGZWXSBPKZYMO-UHFFFAOYSA-N",155810793,NA,"PDBC50492","794214","Present",NA,NA
+"50493","NSC794218",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794218",NA,"CC1=CC2=C(C=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)OC","TYZIJXAWSKLBKE-UHFFFAOYSA-N",155808710,NA,"PDBC50493","794218","Present",NA,NA
+"50494","NSC794219",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794219",NA,"CC1=CC2=C(C=C1)C(C3=C(O2)N=C(C(=C3N)C#N)N)SC4=CC=C(C=C4)SC","WWTXRYLUUJYXSH-UHFFFAOYSA-N",155809178,NA,"PDBC50494","794219","Present",NA,NA
+"50495","NSC794481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794481",NA,"CCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OCCN4CCCCC4","NCTRVVUXEHRJST-JJKYIXSRSA-N",155810373,NA,"PDBC50495","794481","Present",NA,NA
+"50496","NSC794482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794482",NA,"CCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OCCN(CC)CC","OOLNTJUVVYXLNQ-QUPMIFSKSA-N",155810799,NA,"PDBC50496","794482","Present",NA,NA
+"50497","NSC794483",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794483",NA,"CCCCCC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCCC4","XKXAVCCPVPJGEF-ROMHNNFLSA-N",155807445,NA,"PDBC50497","794483","Present",NA,NA
+"50498","NSC794499",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794499",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC(=C(C(=C4)OC)OC)OC","VHJORWJMXQMECE-SVEUIFQESA-N",118245680,NA,"PDBC50498","794499","Present",NA,NA
+"50499","NSC794500",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794500",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC=C(C=C4)Br","MVSMKTWHTFYUJB-ICYKCNJTSA-N",118245681,NA,"PDBC50499","794500","Present",NA,NA
+"50500","NSC794502",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794502",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC=CC=C4","OMOILUMFLNJVEY-MKPGHTHTSA-N",137651028,NA,"PDBC50500","794502","Present",NA,NA
+"50501","NSC794504",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794504",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC=CC5=CC=CC=C54","OYWRSLSZAHNCAY-AKYDVEDYSA-N",118245685,NA,"PDBC50501","794504","Present",NA,NA
+"50502","NSC794505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794505",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC5=CC=CC=C5C=C4","GFILISQKSYOVOX-RRXAXXNZSA-N",118237375,NA,"PDBC50502","794505","Present",NA,NA
+"50503","NSC794506",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794506",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CC=C(C=C4)C#N","SSHPQCSKLJWWJH-RAZIKTDJSA-N",118245683,NA,"PDBC50503","794506","Present",NA,NA
+"50504","NSC794507",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794507",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C4=CN=C(C=C4)Cl","BNYKEZCBAUBBRH-DMGCQCMDSA-N",118245682,NA,"PDBC50504","794507","Present",NA,NA
+"50505","NSC794557",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794557",NA,"CCCCCN1N=CC(=N1)C2=C3C=C(C(=C(C3=CC(=C2O)O)O)C4=C(C5=CC(=C(C(=C5C=C4C)C6=NN(N=C6)CCCCC)O)O)O)C","CJTRVTYNJQVOAK-UHFFFAOYSA-N",155809112,NA,"PDBC50505","794557","Present",NA,NA
+"50506","NSC794568",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794568",NA,"C1=CC(=CC(=C1)F)COC2=CC=C(C=C2)NC3=NC(=NC4=C3C5=C(N4)C=CC(=C5)O)N","CXDZYLLTVKDNIC-UHFFFAOYSA-N",155810757,NA,"PDBC50506","794568","Present",NA,NA
+"50507","NSC794584",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794584",NA,"CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)OC(=O)N(C)CCN(C)C(=O)OC(C)(C)C","IFSGKCQPKQDARU-YGOYIFOWSA-N",150540233,NA,"PDBC50507","794584","Present",NA,NA
+"50508","NSC794588",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794588",NA,"C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-])Cl","GALIWDLXCDWGRV-UHFFFAOYSA-N",1291043,NA,"PDBC50508","794588","Present",NA,NA
+"50509","NSC794596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794596",NA,"COC1=C(C=C2C(=C1)C(=NC=N2)OC3=CC=C(C4=CC=CC=C43)NC(=O)NC5=CC(=C(C=C5)CN6CCOCC6)C(F)(F)F)OC","VUIQMETZHJGDMY-UHFFFAOYSA-N",137650407,NA,"PDBC50509","794596","Present",NA,NA
+"50510","NSC794620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794620",NA,"C1=CC=C2C=C(C=CC2=C1)C=NNC(=O)CN3C4=CC=CC=C4C5=C3C=NC=C5","JNIXTYCBOKPQIN-WGARJPEWSA-N",155807459,NA,"PDBC50510","794620","Present",NA,NA
+"50511","NSC794630",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794630",NA,"CC(C)(C)OC(=O)N1CCN(CC1)CCN2C=C(C3=C2N=CN=C3Cl)C(F)(F)F","PCONGZKDECGIIM-UHFFFAOYSA-N",155813391,NA,"PDBC50511","794630","Present",NA,NA
+"50512","NSC794634",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794634",NA,"CC(C)(C)OC(=O)N1CC(C1)CN2C=C(C3=C2N=CN=C3Cl)C(F)(F)F","WSEFSBXMGHPSJE-UHFFFAOYSA-N",155815074,NA,"PDBC50512","794634","Present",NA,NA
+"50513","NSC794636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794636",NA,"C1OC2=C(O1)C=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4CO)O","OYSBAJOPGAMMRR-UHFFFAOYSA-N",155807485,NA,"PDBC50513","794636","Present",NA,NA
+"50514","NSC794639",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794639",NA,"CCN1C=C(C2=C1C=CC(=C2)OC)C=C3C(=O)C4=C(O3)C=C(C=C4)OCC#N","XSGXXILLIVRHAH-FBHDLOMBSA-N",35494269,NA,"PDBC50514","794639","Present",NA,NA
+"50515","NSC794717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794717",NA,"COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)CCl","VLJJXANATXDRIO-UHFFFAOYSA-N",11303989,NA,"PDBC50515","794717","Present",NA,NA
+"50516","NSC794718",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794718",NA,"COC1=C(C=C(C=C1)C(=S)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)CCl","NXRMORRCKSMDOD-UHFFFAOYSA-N",155805966,NA,"PDBC50516","794718","Present",NA,NA
+"50517","NSC794719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794719",NA,"COC1=C(C=C(C=C1)C(=O)C2=CC(=C(C(=C2)OC)OC)OC)OC(=O)C(Cl)(Cl)Cl","LKAMZZTWTFALOT-UHFFFAOYSA-N",155806074,NA,"PDBC50517","794719","Present",NA,NA
+"50518","NSC794720",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794720",NA,"CC1=C(C=C(C=C1OC)C(=O)C2=CC(=C(C=C2)OC)OC(=O)CCl)OC","CTNGKMPMQOTMRL-UHFFFAOYSA-N",155815621,NA,"PDBC50518","794720","Present",NA,NA
+"50519","NSC794838",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794838",NA,"C1C(N(N=C1C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F","MWXAARMRUYEZBH-UHFFFAOYSA-N",155815096,NA,"PDBC50519","794838","Present",NA,NA
+"50520","NSC794842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794842",NA,"C1C(N(N=C1C2=CC=C(C=C2)NC3=NC(=NC(=N3)NCCO)NCCO)C4=CC(=CC(=C4)Cl)Cl)C5=CC=C(C=C5)C(F)(F)F","RLKMOZLJZZJDRR-UHFFFAOYSA-N",155810238,NA,"PDBC50520","794842","Present",NA,NA
+"50521","NSC794843",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794843",NA,"COC1=CC(=CC(=C1OC)OC)C2CC(=NN2C3=CC(=CC(=C3)Cl)Cl)C4=CC=C(C=C4)NC5=NC(=NC(=N5)NCCO)NCCO","CBOHZTPHECTESR-UHFFFAOYSA-N",155808716,NA,"PDBC50521","794843","Present",NA,NA
+"50522","NSC794844",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794844",NA,"C1C(N(N=C1C2=CC=C(C=C2)NC3=NC(=NC(=N3)NCCO)NCCO)C4=CC(=CC(=C4)Cl)Cl)C5=CC=C(C=C5)Cl","MQXKBTKNVHMXFH-UHFFFAOYSA-N",155807469,NA,"PDBC50522","794844","Present",NA,NA
+"50523","NSC794920",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794920",NA,"C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)C=C3C(=O)NC(=N3)SCC4=CC=C(C=C4)F","KFYBSMYKWRRXHF-LPYMAVHISA-N",155812149,NA,"PDBC50523","794920","Present",NA,NA
+"50524","NSC794937",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794937",NA,"CC1CCN(CC1)CCCCCOC2=CC3=C(C=C2)OC4=C(C3=O)C=CC(=C4)Cl","KIAUCSPOPNRBJQ-UHFFFAOYSA-N",155813470,NA,"PDBC50524","794937","Present",NA,NA
+"50525","NSC795014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795014",NA,"CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)NC(=O)NC5=CC(=C(C=C5)Cl)C(F)(F)F)Cl)OC","DXTOAHOPWFBCRV-UHFFFAOYSA-N",155811886,NA,"PDBC50525","795014","Present",NA,NA
+"50526","NSC795015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795015",NA,"CN1C2=C(C(=C(C3=C2C(=CC(=N3)Cl)C1=O)NC(=O)C4=CC(=CC=C4)Cl)Cl)NC(=O)C5=CC(=CC=C5)Cl","FCOLUPBVCHXNIG-UHFFFAOYSA-N",155813573,NA,"PDBC50526","795015","Present",NA,NA
+"50527","NSC795124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795124",NA,"CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=CC(=C(N=C3S2)C)C(C)O)N","BJHMMGQMZGFLTE-UHFFFAOYSA-N",155810157,NA,"PDBC50527","795124","Present",NA,NA
+"50528","NSC795134",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795134",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC4=C3C(=O)C5=C(C4=O)C=CC(=C5)OCC(=O)O","XOFHYDHJULMIRK-UHFFFAOYSA-N",155809195,NA,"PDBC50528","795134","Present",NA,NA
+"50529","NSC795174",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795174",NA,"CC1=NC=CC2=C1N(C3=C2C=CC(=C3)OCC4=CN(N=N4)C5=CC=C(C=C5)Cl)CCCC6=CC=CC=C6","HSSHVSIUGZRBCO-UHFFFAOYSA-N",155809176,NA,"PDBC50529","795174","Present",NA,NA
+"50530","NSC795178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795178",NA,"CCCCN1C2=C(C=CC(=C2)OCC3=CN(N=N3)C4=CC=C(C=C4)Cl)C5=C1C(=NC=C5)C","OAAOSGFDFMFZCA-UHFFFAOYSA-N",155808804,NA,"PDBC50530","795178","Present",NA,NA
+"50531","NSC795179",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795179",NA,"CC1=NC=CC2=C1N(C3=C2C=CC(=C3)OCC4=CN(N=N4)C5=CC=C(C=C5)Cl)CC(C)C","GPCJVVGWWCUKGF-UHFFFAOYSA-N",155815619,NA,"PDBC50531","795179","Present",NA,NA
+"50532","NSC795241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795241",NA,"CCOC(=O)C1CCN(CC1)S(=O)(=O)N=C2C(=C(Cl)Cl)NC(=O)N2","IYABHJYUQAFSDR-UHFFFAOYSA-N",155811774,NA,"PDBC50532","795241","Present",NA,NA
+"50533","NSC795287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795287",NA,"CC1=NN(C(=C1)N)S(=O)(=O)C2=C(N=C(O2)C3=CC=CC=C3)C(=O)OC","NVNFQPGMNNLOAR-UHFFFAOYSA-N",137950762,NA,"PDBC50533","795287","Present",NA,NA
+"50534","NSC795292",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795292",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)N4CCCC4C(=O)NC5=C(C(=C(C=C5)OC)C(=O)N)O","HNVFHTSFXMPWCO-RQADWJAHSA-N",155811933,NA,"PDBC50534","795292","Present",NA,NA
+"50535","NSC795311",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795311",NA,"CCCN1C=C(C2=CC=CC=C21)C=NN=C3C4=C(C=CC(=C4)C)NC3=O","KSNJAABLKBXTJG-UUYOSTAYSA-N",155805628,NA,"PDBC50535","795311","Present",NA,NA
+"50536","NSC795315",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795315",NA,"CC1(C(CCC2(C1OC3=C(C2)C(=CC(=C3)C(=O)NC4=CC5=C(C=CN5C)C(=C4)OC)OC)C)O)C","KLVFKNPLDMEUKY-INOCPDNRSA-N",155807530,NA,"PDBC50536","795315","Present",NA,NA
+"50537","NSC795316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795316",NA,"CC1(C(CCC2(C1OC3=C(C2)C(=CC(=C3)NC(=O)C4=CC5=C(C=CN5C)C(=C4)OC)OC)C)O)C","FTUOFKMEJJCOLV-INOCPDNRSA-N",155811991,NA,"PDBC50537","795316","Present",NA,NA
+"50538","NSC795337",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795337",NA,"COC1=CC2=C(C=C1)NC(=O)C23C(=C(NC4=C3C(=NN4C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C#N","SZAMGADMOOZSKD-UHFFFAOYSA-N",155809018,NA,"PDBC50538","795337","Present",NA,NA
+"50539","NSC795464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795464",NA,"CC1=CC2=C(C(=C(C=C2C(=C1C3=C(C4=CC(=C(C(=C4C=C3C)C5=NC6=CC=CC=C6N5)O)O)O)O)O)O)C7=NC8=CC=CC=C8N7","GAIUVLLBLNSBDL-UHFFFAOYSA-N",155808632,NA,"PDBC50539","795464","Present",NA,NA
+"50540","NSC795648",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795648",NA,"CCCCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCN(C)C","ZSEANWHWUFPPNC-MKFPQRGTSA-N",155808714,NA,"PDBC50540","795648","Present",NA,NA
+"50541","NSC795777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795777",NA,"CC(=NNC1=NC2=CC=CC=C2N1C)C3=CC=CC=N3","JNNXERNBPXXNLK-WQRHYEAKSA-N",9860098,NA,"PDBC50541","795777","Present",NA,NA
+"50542","NSC795778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795778",NA,"CC(C)(CCN=C(N)NC1=NC=C(C=C1)C(=O)OC)C2=CC=C(C=C2)C(F)(F)F","QDSHUUVGBLMTPV-UHFFFAOYSA-N",155816686,NA,"PDBC50542","795778","Present",NA,NA
+"50543","NSC795898",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795898",NA,"C1CN(CCC1C(=O)NC2=CC=CC(=C2)C3=CC(=CC=C3)F)CC4=CC=CC5=C4N=CC=C5","BXCBLOYOHSTDKR-UHFFFAOYSA-N",25455158,NA,"PDBC50543","795898","Present",NA,NA
+"50544","NSC795899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795899",NA,"CN1C(=C(C(=N1)C(F)(F)F)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C3=C(C=C(C=C3)OCC4=CC=C(C=C4)Cl)O","FMVOHVZCNUCZPI-UHFFFAOYSA-N",137196381,NA,"PDBC50544","795899","Present",NA,NA
+"50545","NSC795957",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795957",NA,"CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC(C(C)C)N(C)C(=O)C(C(C)(C)C)NC(=O)C3CCCCN3C)OC(=O)C","TUQGAGMNYHKQIG-OVPNZHTRSA-N",155810618,NA,"PDBC50545","795957","Present",NA,NA
+"50546","NSC795958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795958",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)N(C)C(=O)C(C(C)(C)C)NC(=O)C3CCCCN3C","MVCSBMBMEVRKBJ-WVTPOXNGSA-N",155813844,NA,"PDBC50546","795958","Present",NA,NA
+"50547","NSC795959",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795959",NA,"CCC(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OCC)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","BMMIPWCWFJSIIC-YZSBZJFESA-N",155815103,NA,"PDBC50547","795959","Present",NA,NA
+"50548","NSC795960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795960",NA,"CCC(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","SWJVFENQKSIPAW-WFEPKFSVSA-N",155808679,NA,"PDBC50548","795960","Present",NA,NA
+"50549","NSC795961",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795961",NA,"CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC(C(C)C)N(C)C(=O)CNC(=O)C3CCCCN3C)OC(=O)C","XNOPBUIVPLOUOX-NWYFSMRYSA-N",155813438,NA,"PDBC50549","795961","Present",NA,NA
+"50550","NSC795962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795962",NA,"CC(C)C(CC(C1=NC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","GYTJKYKKCKXQAM-RWQNPXKYSA-N",155813553,NA,"PDBC50550","795962","Present",NA,NA
+"50551","NSC795963",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795963",NA,"CC(C)C(CC(C1=NC(=CC=C1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C","ZBCWRXPKERICEK-QBBJDXIQSA-N",155807055,NA,"PDBC50551","795963","Present",NA,NA
+"50552","NSC795964",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795964",NA,"CC(C)C1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)OC","LXYTYIZKDUZUQR-XRZDBFDYSA-N",142601592,NA,"PDBC50552","795964","Present",NA,NA
+"50553","NSC795965",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC795965",NA,"CC(C)C1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CCCCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)O","TZKRCEUZERTZRG-MFFBRLDPSA-N",155810520,NA,"PDBC50553","795965","Present",NA,NA
+"50554","NSC796111",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796111",NA,"CCCCN1C2=C(C=CC(=C2)Cl)C=C(C1=O)C=CC(=O)C=CC3=CC(=C(C=C3)O)OC","VONDYAIJKMKXRJ-TVNUJMIRSA-N",155805850,NA,"PDBC50554","796111","Present",NA,NA
+"50555","NSC796112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796112",NA,"COC1=C(C=CC(=C1)C=CC(=O)C=CC2=CC3=C(C=C(C=C3)Cl)N(C2=O)CC4=CC=CC=C4)O","KZNVFMDHUUFEQT-IZENVRNYSA-N",155807197,NA,"PDBC50555","796112","Present",NA,NA
+"50556","NSC796113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796113",NA,"CCCCN1C2=CC=CC=C2C=C(C1=O)C=CC(=O)C=CC3=CC4=CC=CC=C4N(C3=O)CCCC","XNUQJZDSDWMFJT-YTEMWHBBSA-N",155815685,NA,"PDBC50556","796113","Present",NA,NA
+"50557","NSC796114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796114",NA,"COC1=CC2=C(C=C1)NC(=O)C(=C2)C=CC(=O)C=CC3=CC(=C(C=C3)O)OC","BHADZIUSRLQPKC-SNCPXTGUSA-N",155805975,NA,"PDBC50557","796114","Present",NA,NA
+"50558","NSC796173",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796173",NA,"CCC(=C(C1=CC=C(C=C1)OCCN2CCCC2)C3=CC=C(C=C3)OC(=O)NCC4=CC=CC=C4)CC5=CC=CC=C5","ASVMPCYAIQFEDW-WWIWEHRJSA-N",155808696,NA,"PDBC50558","796173","Present",NA,NA
+"50559","NSC796177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796177",NA,"CCCCNC(=O)OC1=CC=C(C=C1)C(=C(CC)CC2=CC=CC=C2)C3=CC=C(C=C3)OCCN4CCCCCC4","VNOWODHDRRRFPJ-GXVXDJONSA-N",155810613,NA,"PDBC50559","796177","Present",NA,NA
+"50560","NSC796178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796178",NA,"CCC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OC(=O)NCC4=CC=CC=C4)CC5=CC=CC=C5","BLMUSXYOAWHHMX-GUPKEBGXSA-N",155811747,NA,"PDBC50560","796178","Present",NA,NA
+"50561","NSC796238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796238",NA,"C1=CC2=C(C(=C1)F)SC3=C2OC(=C(C3C4=CC=C(C=C4)F)C#N)N","YRJJWRJURGFILJ-UHFFFAOYSA-N",155805853,NA,"PDBC50561","796238","Present",NA,NA
+"50562","NSC796317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796317",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CSCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","BYOHTFOIFKNLFT-MYZIRJGNSA-N",155810288,NA,"PDBC50562","796317","Present",NA,NA
+"50563","NSC796318",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796318",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCSSCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","QYPHOUWMOPGBNB-GMINLOHTSA-N",155816723,NA,"PDBC50563","796318","Present",NA,NA
+"50564","NSC796319",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796319",NA,"CC(C)CC1=CC=C(C=C1)C(C)C(=O)OCC2=CCCC3(C(O3)C4C(CC2)C(=C)C(=O)O4)C","SUKRULKGPBZTBI-WGXNNALFSA-N",155813820,NA,"PDBC50564","796319","Present",NA,NA
+"50565","NSC796430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796430",NA,NA,NA,NA,NA,"PDBC50565","796430","Present",NA,NA
+"50566","NSC796472",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796472",NA,"CCCCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OCCN4CCCCC4","HXYRUHKXMNSDQX-DNGXXSEMSA-N",155807563,NA,"PDBC50566","796472","Present",NA,NA
+"50567","NSC796476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC796476",NA,"CCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCCC4","RFQRUCGAYRQRNX-MHTZHOPKSA-N",155806305,NA,"PDBC50567","796476","Present",NA,NA
+"50568","NSC797143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797143",NA,"COC1=CC(=C(C=C1)C=C2CCC3=C2[O+]=C4C=C(C=CC4=C3)OC)O","ZPKNPIQZTUAUDI-DHDCSXOGSA-O",155816500,NA,"PDBC50568","797143","Present",NA,NA
+"50569","NSC797191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797191",NA,"CC1=CC2=CC(=C(N=C2C=C1)SC)C=C3C=C(NC3=O)C4=CC=CC=C4","KSGAFUUUDQWXLI-ATVHPVEESA-N",155808738,NA,"PDBC50569","797191","Present",NA,NA
+"50570","NSC797251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797251",NA,"CC12CCC3C(C1CCC2=O)CC4C5(C3(CCC(=O)C5)C)N=C(S4)NC6=CC=CC=C6","CHHABRFGWMWPOH-CXCVPGNWSA-N",155811844,NA,"PDBC50570","797251","Present",NA,NA
+"50571","NSC797348",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797348",NA,"C1CN(C2=C1C=CC(=C2)Cl)C3=NC=NC4=C3C=C(C=C4)C5=CN=C(N=C5)N","ASJNPNGWQHOPTM-UHFFFAOYSA-N",155816420,NA,"PDBC50571","797348","Present",NA,NA
+"50572","NSC797349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797349",NA,"C1CN(C2=C1C=CC(=C2)Cl)C3=NC=NC4=C3C=C(C=C4)C5=CN=C6C(=C5)C=CN6","SAFLQSGYYCHBMN-UHFFFAOYSA-N",155816469,NA,"PDBC50572","797349","Present",NA,NA
+"50573","NSC797360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797360",NA,"C1=CC=NC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NN=CC3=CC=C(C=C3)Cl","JEKWOUQUJJQXDM-YDZHTSKRSA-N",155810590,NA,"PDBC50573","797360","Present",NA,NA
+"50574","NSC797394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797394",NA,"C1CC2=CC=CC=C2C1NC3=C4C(=NC=N3)N(C=N4)C5C(C(C(O5)COS(=O)(=O)N)O)O","PGAMXUGSHMQFKD-BPAMBQHCSA-N",11655576,NA,"PDBC50574","797394","Present",NA,NA
+"50575","NSC797417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797417",NA,"C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=NC(=NC=C3)NCCNC(=O)CCl","BMYUAYSYGYCSGQ-UHFFFAOYSA-N",155816349,NA,"PDBC50575","797417","Present",NA,NA
+"50576","NSC797420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797420",NA,"COC1=CC(=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-])OC","ITRAGDODVWDDEE-RMKNXTFCSA-N",5719419,NA,"PDBC50576","797420","Present",NA,NA
+"50577","NSC797421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797421",NA,"COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=C(C=C2)C#N)OC","OSRRXJMZZHTZJT-CMDGGOBGSA-N",71474078,NA,"PDBC50577","797421","Present",NA,NA
+"50578","NSC797422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797422",NA,"COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC(=CC=C2)C#N)OC","CVNFUORAQBPTKH-BQYQJAHWSA-N",89300085,NA,"PDBC50578","797422","Present",NA,NA
+"50579","NSC797423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797423",NA,"COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-])OC","VJNBRWWDKJRZIL-RMKNXTFCSA-N",9974713,NA,"PDBC50579","797423","Present",NA,NA
+"50580","NSC797424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797424",NA,"COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC=CC=C2[N+](=O)[O-])OC","UOEZGUXMWHYVJQ-CMDGGOBGSA-N",44457048,NA,"PDBC50580","797424","Present",NA,NA
+"50581","NSC797426",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797426",NA,"COC1=CC(=C(C(=C1)OC)C(=O)C=CC2=CC(=CC=C2)C(F)(F)F)OC","ZHTZOYRJFMLYEG-BQYQJAHWSA-N",53310696,NA,"PDBC50581","797426","Present",NA,NA
+"50582","NSC797462",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797462",NA,"C1=CC(=CC=C1C2=CC(=NC3=C2SC(=O)N3)C(=O)NC4=CC=C(C=C4)Cl)F","GSQAFNQOHHVTCN-UHFFFAOYSA-N",155812107,NA,"PDBC50582","797462","Present",NA,NA
+"50583","NSC797482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797482",NA,"C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C(=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])Cl)SC2=S","FEPPJLIFJBHBND-NMBDOBDKSA-N",5347087,NA,"PDBC50583","797482","Present",NA,NA
+"50584","NSC797517",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797517",NA,"CC1=C(SC(=N1)NC2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)F","RFNFDCWOQNGFMI-RMKNXTFCSA-N",155805891,NA,"PDBC50584","797517","Present",NA,NA
+"50585","NSC797519",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797519",NA,"CC1=C(SC(=N1)NC2=CN=CC=C2)C(=O)C=CC3=CC=C(C=C3)Cl","HPZLRPBVRVDHGB-RMKNXTFCSA-N",155816452,NA,"PDBC50585","797519","Present",NA,NA
+"50586","NSC797587",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797587",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C=CC4=CC=CC=C4","XKSKLCTXUXAJBA-FNCJUPDBSA-N",155812565,NA,"PDBC50586","797587","Present",NA,NA
+"50587","NSC797659",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797659",NA,"COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC(=CC=C3)C(=O)NC4=CC=C(C=C4)Cl)OC)OC","BUDJAKORKCNWPC-UHFFFAOYSA-N",142727334,NA,"PDBC50587","797659","Present",NA,NA
+"50588","NSC797729",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797729",NA,"C1=CC=C2C(=C1)C=C3C(=C2C4=CNC5=C4C=C(C=C5)[N+](=O)[O-])C6=C(N3)C=CC(=C6)[N+](=O)[O-]","LBRKIQKTCYPGCO-UHFFFAOYSA-N",155808578,NA,"PDBC50588","797729","Present",NA,NA
+"50589","NSC797734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797734",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C3=C4C(=CC5=C3C=CS5)NC6=C4C=C(C=C6)[N+](=O)[O-]","UYMCDNLNOUWGHZ-UHFFFAOYSA-N",155806021,NA,"PDBC50589","797734","Present",NA,NA
+"50590","NSC797768",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797768",NA,"CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4)C5=CSC6=C5OC(=CC6=O)N7CCOCC7","XJKTXWSMMWPNTP-UHFFFAOYSA-N",153289441,NA,"PDBC50590","797768","Present",NA,NA
+"50591","NSC797878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797878",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CNC5=C4C=C(C=C5)F","YTTVMFZWOFDYNQ-LPCPJUPKSA-N",155809131,NA,"PDBC50591","797878","Present",NA,NA
+"50592","NSC797879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797879",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CNC5=C4C=C(C=C5)Br","NQZJGUARZSIMKN-LPCPJUPKSA-N",155812023,NA,"PDBC50592","797879","Present",NA,NA
+"50593","NSC797880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797880",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CNC5=C4C=C(C=C5)Cl","NPQHHHPDUSSZFB-LPCPJUPKSA-N",155805880,NA,"PDBC50593","797880","Present",NA,NA
+"50594","NSC797881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797881",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CNC5=C4C=C(C=C5)Cl","RMYMJPCAKIETMC-ACFFBWOGSA-N",155805684,NA,"PDBC50594","797881","Present",NA,NA
+"50595","NSC797882",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797882",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCC4=CNC5=C4C=C(C=C5)OC","QBJFIYKXBCTYOL-AOJANBIMSA-N",155813269,NA,"PDBC50595","797882","Present",NA,NA
+"50596","NSC797883",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797883",NA,"CC(C)CC1=CC=C(C=C1)C(C)CNC(=O)OCC2=CCCC3(C(O3)C4C(CC2)C(=C)C(=O)O4)C","SJNSXKQOQDZKBF-RRZHTKTESA-N",155816771,NA,"PDBC50596","797883","Present",NA,NA
+"50597","NSC797891",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797891",NA,"B(OC(=CC(=O)C=CC1=CSC2=CC=CC=C21)C=CC3=CSC4=CC=CC=C43)(F)F","SYHFYONLROKVSP-WGCDZPPWSA-N",155807182,NA,"PDBC50597","797891","Present",NA,NA
+"50598","NSC797905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797905",NA,"CCC(C)(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)OCC)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","CFXXJUQVXWCZLZ-CRLCUMOYSA-N",155815224,NA,"PDBC50598","797905","Present",NA,NA
+"50599","NSC797906",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797906",NA,"CCC(C)(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","LGICQGXAECCYRD-JXEFJUJFSA-N",142601599,NA,"PDBC50599","797906","Present",NA,NA
+"50600","NSC797907",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797907",NA,"CC(C)C1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CC(CCN2C)O)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)OC","COTPSIOVTKIEAC-YGFGYCEHSA-N",155812225,NA,"PDBC50600","797907","Present",NA,NA
+"50601","NSC797909",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797909",NA,"CC(C)C1=C(N=C(S1)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C2CC(=O)CCN2C)OC(=O)C)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)OC","OPXYZRKDLQXKBY-PUNIVKTQSA-N",155807083,NA,"PDBC50601","797909","Present",NA,NA
+"50602","NSC797910",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797910",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","XCPFAUNYESDMDK-PHRCFWATSA-N",155812282,NA,"PDBC50602","797910","Present",NA,NA
+"50603","NSC797911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797911",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C(=O)OC)NC(=O)OCC3=CC=CC=C3)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","XCPFAUNYESDMDK-BNYJDTCASA-N",155809077,NA,"PDBC50603","797911","Present",NA,NA
+"50604","NSC797912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797912",NA,"CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=CSC(=N2)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C3CC(CCN3C)O[Si](C)(C)C(C)(C)C)OC(=O)C","QUIIRXKMXFNZAC-LHOSQHSLSA-N",155815107,NA,"PDBC50604","797912","Present",NA,NA
+"50605","NSC797913",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797913",NA,"CCOC(=O)C(C)CC(CC1=CC=CC=C1)NC(=O)C2=C(SC(=N2)C(CC(C(C)C)N(C)C(=O)C(C(C)C)NC(=O)C3CCCCN3C)OC(=O)C)CCOCC4=CC=CC=C4","JKIBXIQVJVECJX-QVHRZWFPSA-N",142601616,NA,"PDBC50605","797913","Present",NA,NA
+"50606","NSC797914",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797914",NA,"CC(C)C(CC(C1=NC(=C(S1)CCOCC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)CC(C)C(=O)O)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","WNGBPULEAZNVGN-OZPUQXOSSA-N",155813767,NA,"PDBC50606","797914","Present",NA,NA
+"50607","NSC797927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797927",NA,"CCN(CC)CC[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC","XPIJVBXWVGDBOV-UHFFFAOYSA-N",155811744,NA,"PDBC50607","797927","Present",NA,NA
+"50608","NSC797944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797944",NA,NA,NA,NA,NA,"PDBC50608","797944","Present",NA,NA
+"50609","NSC797945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797945",NA,NA,NA,NA,NA,"PDBC50609","797945","Present",NA,NA
+"50610","NSC797971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797971",NA,"CC12CCC3C(C1CCC2O)CC4C5(C3(CCC(C5)O)C)N=C(S4)NC6=CC=CC=C6","NDSCFVJFUWDFNJ-DVLCJUKDSA-N",155810663,NA,"PDBC50610","797971","Present",NA,NA
+"50611","NSC798013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798013",NA,"COC(=O)C1=C(C2C=CC1(O2)C(CC3=CC=CC=C3)NC4=CC=CC=C4)C(=O)ON","FIGBEJJMYPCUPP-UHFFFAOYSA-N",155816486,NA,"PDBC50611","798013","Present",NA,NA
+"50612","NSC798014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798014",NA,"COC(=O)C1=C(C2C=CC1(O2)C(CC3=CC=CC=C3)NC4=CC=CC=C4)C(=O)ON","FIGBEJJMYPCUPP-IXFSTUDKSA-N",155816957,NA,"PDBC50612","798014","Present",NA,NA
+"50613","NSC798260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798260",NA,"B(OC(=CC(=O)C=CC1=CC2=C(C=C1)NC=C2SC#N)C=CC3=CC4=C(C=C3)NC=C4SC#N)(F)F","TXVJFKQTSFPHTB-KYCQJBCBSA-N",155807703,NA,"PDBC50613","798260","Present",NA,NA
+"50614","NSC798261",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798261",NA,"C1=CC2=C(C=C1C=CC(=CC(=O)C=CC3=CC4=C(C=C3)NC=C4SC#N)O)C(=CN2)SC#N","WLXHJUBQMKDZTB-FLEMXCKYSA-N",155817001,NA,"PDBC50614","798261","Present",NA,NA
+"50615","NSC798262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798262",NA,"B(OC(=CC(=O)C=CC1=C2C(=CC=C1)NC=C2SC#N)C=CC3=C4C(=CC=C3)NC=C4SC#N)(F)F","WQHYQXROJHBGHC-YUVMCWJMSA-N",155813948,NA,"PDBC50615","798262","Present",NA,NA
+"50616","NSC798263",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798263",NA,"C1=CC(=C2C(=C1)NC=C2SC#N)C=CC(=CC(=O)C=CC3=C4C(=CC=C3)NC=C4SC#N)O","JLAJVVQMCWAWNT-JTLKFFIHSA-N",155812371,NA,"PDBC50616","798263","Present",NA,NA
+"50617","NSC798267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798267",NA,"B(OC(=CC(=O)C=CC1=C2C=CNC2=CC=C1)C=CC3=C4C=CNC4=CC=C3)(F)F","TYFHASDEMSGKJQ-GGQOPWMESA-N",155810826,NA,"PDBC50617","798267","Present",NA,NA
+"50618","NSC798269",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798269",NA,"B(OC(=CC(=O)C=CC1=CC2=C(C=C1)NC=C2)C=CC3=CC4=C(C=C3)NC=C4)(F)F","XAIHMCJANYQGPI-IZZWUQLKSA-N",155812366,NA,"PDBC50618","798269","Present",NA,NA
+"50619","NSC798637",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798637",NA,"CC(=CCC1=C(C=C(C=C1O)NC(=O)C2=CC3=C(C(=C2)OC)OC4(CCC(C(C4C3)(C)C)O)C)O)C","XXJHCIQTPYWFFZ-ITLAICGJSA-N",155817070,NA,"PDBC50619","798637","Present",NA,NA
+"50620","NSC798638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798638",NA,"CC(=CCC1=C(C=C(C=C1O)C(=O)NC2=CC3=C(C(=C2)OC)OC4(CCC(C(C4C3)(C)C)O)C)O)C","GPVXMWFDDWBWNJ-ITLAICGJSA-N",155812451,NA,"PDBC50620","798638","Present",NA,NA
+"50621","NSC798640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798640",NA,"CC1CCC2C1C(C3(CC(C2(O3)C)NC(=O)CO)C4CCCCC4)OC(=O)C=CC5=CC=CC=C5","JATHZHDQYHORSZ-OXBSAGKHSA-N",155807769,NA,"PDBC50621","798640","Present",NA,NA
+"50622","NSC798698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798698",NA,"CC(C(C1=CC2=C(C=C1)OCCO2)OC3=CC4=C(C=C3)N(N=C4)C5=CC=C(C=C5)F)NC(=O)C(C)N","MWJLADUCVQWMIW-XJCBTKLQSA-N",155806176,NA,"PDBC50622","798698","Present",NA,NA
+"50623","NSC798705",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798705",NA,"CC12CCC3C(C1CCC2O)CC4C5(C3(CCC(C5)O)C)SC(=N4)C6=CC=C(C=C6)O","ZVMSFGKHXARIAQ-UMENMJNPSA-N",155817073,NA,"PDBC50623","798705","Present",NA,NA
+"50624","NSC798753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798753",NA,"CCSC(=C(C#N)C(=O)NN=CC1=C(C=C(C=C1)Cl)Cl)NC2=CC=CC=C2","FJDYQEMGLNJPOQ-WURWGQHYSA-N",155815598,NA,"PDBC50624","798753","Present",NA,NA
+"50625","NSC798779",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798779",NA,"CCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCN4CCCC4","HDWDTLULJKYBFL-MKFPQRGTSA-N",155806235,NA,"PDBC50625","798779","Present",NA,NA
+"50626","NSC798780",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798780",NA,"CC(=C(C1=CC=C(C=C1)OCCN2CCCCC2)C3=CC=C(C=C3)OC(=O)NCC4=CC=CC=C4)CC5=CC=C(C=C5)OC","ZHOXESCAODGLFK-GPFIVKHLSA-N",155815605,NA,"PDBC50626","798780","Present",NA,NA
+"50627","NSC798785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798785",NA,"CCNC(=O)OC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCN(CC)CC","ADMKNWTYNSPQED-QLTSDVKISA-N",155814103,NA,"PDBC50627","798785","Present",NA,NA
+"50628","NSC798795",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798795",NA,"CC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OC(=O)CC4=CC=CC=C4)C5=CC=C(C=C5)Cl","NABIVTWGQMNHHX-FSUXQIQLSA-N",155810950,NA,"PDBC50628","798795","Present",NA,NA
+"50629","NSC798862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798862",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNC(=O)C4=CC=CC5=CC=CC=C54","DVQJWMPJVFJGND-AKYDVEDYSA-N",155812613,NA,"PDBC50629","798862","Present",NA,NA
+"50630","NSC798863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798863",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)CNS(=O)(=O)C4=CC=CC5=CC=CC=C54","ADVVXEYQOADEMK-YBRXZWIGSA-N",155806361,NA,"PDBC50630","798863","Present",NA,NA
+"50631","NSC799011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799011",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)NC3=CC=C(C=C3)C(F)(F)F)C=CC4=CC(=C(C=C4)O)OC)O","XKCHWZGOQQOIME-FBBLOSFGSA-N",155809506,NA,"PDBC50631","799011","Present",NA,NA
+"50632","NSC799156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799156",NA,"CCN(CC)C1=CC(=C(C=C1)C=NNC(=O)C2=CC=C(C=C2)S(=O)(=O)C)O","LYMNUZPLGHCBEG-DEDYPNTBSA-N",155812617,NA,"PDBC50632","799156","Present",NA,NA
+"50633","NSC799191",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799191",NA,"CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N)C4=CC(=CC=C4)OC","BKRAIBMTRIJQBF-UXHLAJHPSA-N",155817249,NA,"PDBC50633","799191","Present",NA,NA
+"50634","NSC799192",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799192",NA,"CC(=NNC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=C(C=C4)OC","FDAQXEJDFSTUHH-UXHLAJHPSA-N",155806379,NA,"PDBC50634","799192","Present",NA,NA
+"50635","NSC799248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799248",NA,"CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)C","LAQZOUNYGVOUIZ-PIQRGQFYSA-N",59980142,NA,"PDBC50635","799248","Present",NA,NA
+"50636","NSC799249",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799249",NA,"CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)O)NC(=O)C","WRZCODSGTIMFRV-WKJWWUBZSA-N",155812501,NA,"PDBC50636","799249","Present",NA,NA
+"50637","NSC799250",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799250",NA,"CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)O)NS(=O)(=O)C","GSMRCCJIPPGMRL-DMLCWAEOSA-N",155812503,NA,"PDBC50637","799250","Present",NA,NA
+"50638","NSC799251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799251",NA,"CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)C(C)C","CGBJGSAEHDSALD-MWDRSEEBSA-N",155810959,NA,"PDBC50638","799251","Present",NA,NA
+"50639","NSC799252",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799252",NA,"CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)OC","DNNIYTHOENIHJD-IJWWBIQNSA-N",155810962,NA,"PDBC50639","799252","Present",NA,NA
+"50640","NSC799253",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799253",NA,"CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)N","AWYFOSGPUUXKOH-FTHBNIPZSA-N",155812500,NA,"PDBC50640","799253","Present",NA,NA
+"50641","NSC799254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799254",NA,"CC(C)CCC(=O)C(C)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)OC5C(C(C(CO5)O)OC6C(C(C(CO6)O)O)OC(=O)C7=CC=C(C=C7)OC)OC(=O)NC","HOQWGMYKYIQGGS-IJWWBIQNSA-N",155807848,NA,"PDBC50641","799254","Present",NA,NA
+"50642","NSC799255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799255",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CNC5=C4C=C(C=C5)OC","POOMAQQECONUGF-RJSAQQEJSA-N",155807849,NA,"PDBC50642","799255","Present",NA,NA
+"50643","NSC799256",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799256",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CN(C5=CC=CC=C54)C","RCVKCLFKMCACPM-AKYDVEDYSA-N",155817150,NA,"PDBC50643","799256","Present",NA,NA
+"50644","NSC799257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799257",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC(=CC=C4)OC","DRPFHOMQMAZDFR-NGPBQMIVSA-N",155806245,NA,"PDBC50644","799257","Present",NA,NA
+"50645","NSC799258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799258",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=C5C=CC=CC5=NN4","PWQDASWLOCUQMK-XUVHLHGVSA-N",155806242,NA,"PDBC50645","799258","Present",NA,NA
+"50646","NSC799260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799260",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCCl","KZOVLJJXKYZWBI-FTKJOGDLSA-N",155810963,NA,"PDBC50646","799260","Present",NA,NA
+"50647","NSC799649",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799649",NA,"C1CC2=C(C1)SC3=NC=NC(=C23)NC4=C(NN=C4)C(=O)NC5=NC=C(C=C5)N6CCNCC6","CPHKRUXSSWWABO-UHFFFAOYSA-N",155807811,NA,"PDBC50647","799649","Present",NA,NA
+"50648","NSC799650",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799650",NA,"C1CC2=C(C1)SC3=NC=NC(=C23)NC4=C(NN=C4)C(=O)NC5=CC=C(C=C5)N6CCNCC6","AOUKPCAVTZURHO-UHFFFAOYSA-N",155810917,NA,"PDBC50648","799650","Present",NA,NA
+"50649","NSC799658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799658",NA,NA,NA,NA,NA,"PDBC50649","799658","Present",NA,NA
+"50650","NSC799660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799660",NA,"COC1=C(C=C2C(=C1)C(=NC(=N2)C3=CC=CC4=C3N=CC=C4)NC5CCN(CC5)CC6=CC=CC=C6)OC","QFVHSOYWIOMHOO-UHFFFAOYSA-N",155817075,NA,"PDBC50650","799660","Present",NA,NA
+"50651","NSC799661",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799661",NA,"CN(C)C1=NC=C(C=N1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)OC)OC","GLZISIDXHSISKJ-UHFFFAOYSA-N",155807766,NA,"PDBC50651","799661","Present",NA,NA
+"50652","NSC799691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799691",NA,"C1=CC=C2C(=C1)C3=C(C2=O)N=NC(=N3)C4=[N+](ON=C4N)[O-]","OXBYJNVXZPKMRV-UHFFFAOYSA-N",155809574,NA,"PDBC50652","799691","Present",NA,NA
+"50653","NSC799696",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799696",NA,"CCOC(=O)C1=C(N(N=N1)C2=NO[N+](=C2C3=CC=C(C=C3)OC)[O-])COC4=CC=CC5=C4N=CC=C5","BKWBEAIFSGHPGK-UHFFFAOYSA-N",155815796,NA,"PDBC50653","799696","Present",NA,NA
+"50654","NSC799728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799728",NA,"CC(=CCCC(=CCC1=C(C=C(C=C1O)C2=CN(N=N2)C3=CC4=C(C(=C3)OC)OC5(CCC(C(C5C4)(C)C)O)C)O)C)C","VOXDMVZGEDBMIW-XKBAZTDFSA-N",155817292,NA,"PDBC50654","799728","Present",NA,NA
+"50655","NSC799752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799752",NA,"C1=CC(=CC=C1NC2=NC3=NON=C3N=C2NC4=CC=C(C=C4)I)I","KXBGCIMRYZMVCD-UHFFFAOYSA-N",3114176,NA,"PDBC50655","799752","Present",NA,NA
+"50656","NSC799756",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799756",NA,"COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=NON=C4N=C3","IZECIRGLRZIXBY-UHFFFAOYSA-N",51138551,NA,"PDBC50656","799756","Present",NA,NA
+"50657","NSC799829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799829",NA,"CC1=CC=C(C=C1)C2=NC3=C(N=CN=C3NC(C2)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F)N","IFWCLWCILBVBEE-UHFFFAOYSA-N",155815794,NA,"PDBC50657","799829","Present",NA,NA
+"50658","NSC799837",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799837",NA,"CC1=CC=C(C=C1)C2=NC3=C(N=C(N=C3NC(C2)C4=CC(=CC=C4)NC5=C6C=CC(=CC6=NC=C5)C(F)(F)F)N)N","ASSYKQSQZCJHGG-UHFFFAOYSA-N",155812663,NA,"PDBC50658","799837","Present",NA,NA
+"50659","NSC799919",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799919",NA,"CC1=C2C3=C(C=CC(=C3)OCCN(C)C)NC2=NC4=C1N=CC=C4","FECLGWOBYRAFTB-UHFFFAOYSA-N",155817296,NA,"PDBC50659","799919","Present",NA,NA
+"50660","NSC799966",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799966",NA,"CC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)C5=CC=C(C=C5)Cl","ICVUEAKIRCUKAA-LSWMGQQCSA-N",155811110,NA,"PDBC50660","799966","Present",NA,NA
+"50661","NSC799971",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799971",NA,"CC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl","WJFWFUPRLZNUAY-DKJXEYTPSA-N",155812662,NA,"PDBC50661","799971","Present",NA,NA
+"50662","NSC799980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC799980",NA,"CC(=C(C1=CC=C(C=C1)OCCN2CCCCCC2)C3=CC=C(C=C3)OC(=O)C4CCCCC4)C5=CC=C(C=C5)OC","AHXJFNFVWKIVTF-FDEZRRJOSA-N",155809568,NA,"PDBC50662","799980","Present",NA,NA
+"50663","NSC800038",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800038",NA,NA,NA,NA,NA,"PDBC50663","800038","Present",NA,NA
+"50664","NSC800046",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800046",NA,"C#CCOC1=CC=CC(=C1)NC2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","IVMBXIDMDDCRLI-UHFFFAOYSA-N",155814264,NA,"PDBC50664","800046","Present",NA,NA
+"50665","NSC800047",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800047",NA,"C=CC(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)OCC#C","ZQOUYVXQYMZXSB-UHFFFAOYSA-N",155812635,NA,"PDBC50665","800047","Present",NA,NA
+"50666","NSC800050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800050",NA,"C#CCOC1=CC=CC(=C1)NC2=NC=NC3=C2C=CC=C3NC(=O)CCl","WGQIHHLUSMZGEM-UHFFFAOYSA-N",155807981,NA,"PDBC50666","800050","Present",NA,NA
+"50667","NSC800051",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800051",NA,"C=CC(=O)NC1=CC=CC2=C1N=CN=C2NC3=CC(=CC=C3)OCC#C","APDOCPVYCFEDPL-UHFFFAOYSA-N",155811084,NA,"PDBC50667","800051","Present",NA,NA
+"50668","NSC800054",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800054",NA,"C#CCOC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)NC(=O)CCl","NPGHZBAODDIQKV-UHFFFAOYSA-N",155812631,NA,"PDBC50668","800054","Present",NA,NA
+"50669","NSC800055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800055",NA,"C=CC(=O)NC1=CC=C(C=C1)NC2=NC=NC3=C2C=C(C=C3)OCC#C","FGLKUQUJLPDTFR-UHFFFAOYSA-N",155812630,NA,"PDBC50669","800055","Present",NA,NA
+"50670","NSC800056",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800056",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)NCCC6=CC=C(C=C6)O)C)CO","NWTSKFFYRKGTAR-OGTXVEBCSA-N",49865965,NA,"PDBC50670","800056","Present",NA,NA
+"50671","NSC800057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800057",NA,"CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C=C(C(=O)C5(C)C)C=O)C)C)COC6CCCCO6","QKWURVPUWCAXKY-XIYJGOOFSA-N",57605977,NA,"PDBC50671","800057","Present",NA,NA
+"50672","NSC800058",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800058",NA,"CC1(C2CCC3(C(C2(C=C(C1=O)C=O)C)CCC4C3(CCC5(C4C(CC5)C(=C)CO)COC6CCCCO6)C)C)C","BWJJTTMRISWTCO-XIYJGOOFSA-N",57605939,NA,"PDBC50672","800058","Present",NA,NA
+"50673","NSC800059",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800059",NA,"CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCC6=CC=C(C=C6)O)CO)C)C)C","PANRNQMMBRCNTO-UJTBAKDQSA-N",49866019,NA,"PDBC50673","800059","Present",NA,NA
+"50674","NSC800060",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800060",NA,"CC1(C2CCC3(C(C2(CCC1NCCC4=CC=C(C=C4)O)C)CCC5C3(CCC6(C5C(CC6)C(=C)CNCCC7=CC=C(C=C7)O)CO)C)C)C","CRDYVFQCTUUNBQ-JAALZTQJSA-N",155812629,NA,"PDBC50674","800060","Present",NA,NA
+"50675","NSC800316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800316",NA,"CC(=C(C1=CC=C(C=C1)OCCN2CCCCC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC","FGEQLQPOBBMEJQ-QUPMIFSKSA-N",155817029,NA,"PDBC50675","800316","Present",NA,NA
+"50676","NSC800317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800317",NA,"CC(=C(C1=CC=C(C=C1)OCCN2CCCC2)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC","LPMJEQJZKSTSFV-SGWCAAJKSA-N",155810851,NA,"PDBC50676","800317","Present",NA,NA
+"50677","NSC800349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800349",NA,"C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC4)CCO","RJNWVGRGXKDNDY-UHFFFAOYSA-N",155812411,NA,"PDBC50677","800349","Present",NA,NA
+"50678","NSC800354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800354",NA,"CC12CCC3C(C1CCC2=O)CC4C5(C3(CCC(=NNC(=O)N)C5)C)N=C(S4)N","BPESDROEQFBBHW-YVYBLLAWSA-N",155813989,NA,"PDBC50678","800354","Present",NA,NA
+"50679","NSC800378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800378",NA,"CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4CCCCC4)OC(=O)C=CC5=CC=CC=C5","JXFQQIYBAMHDFG-OXBSAGKHSA-N",155815533,NA,"PDBC50679","800378","Present",NA,NA
+"50680","NSC800379",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800379",NA,"CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4=CC=CC=C4)OC(=O)C=CC5=CC=CC=C5","BPAJKVSHFKELEO-OXBSAGKHSA-N",155813990,NA,"PDBC50680","800379","Present",NA,NA
+"50681","NSC800380",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800380",NA,"CN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)OC3=CC(=CC=C3)OC(F)(F)F)CC4=CC=C(C=C4)Cl","PRJHEJGMSOBHTO-UHFFFAOYSA-N",85473438,NA,"PDBC50681","800380","Present",NA,NA
+"50682","NSC800381",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800381",NA,"CC(C)CC(CC1=CCC2CC1C2(C)C)C3=C(C(C(=O)C(C3=O)(C)C)(C)C)O","RATBIMAQZWTQOG-UHFFFAOYSA-N",155810847,NA,"PDBC50682","800381","Present",NA,NA
+"50683","NSC800434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800434",NA,"CN(C)C(=O)C1=CC2=CN=C(N=C2N1C3CCCC3)NC4=CC=C(C=C4)C5=CSC6=C5OC(=CC6=O)N7CCNCC7","CESQZFGDVWSMEB-UHFFFAOYSA-N",135263711,NA,"PDBC50683","800434","Present",NA,NA
+"50684","NSC800436",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800436",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)OCCOC","JYQMKYWWIBWGOF-UHFFFAOYSA-N",155809292,NA,"PDBC50684","800436","Present",NA,NA
+"50685","NSC800437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800437",NA,"CC(C)(C)CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C","DENRYIOMPHFKAE-UHFFFAOYSA-N",155813957,NA,"PDBC50685","800437","Present",NA,NA
+"50686","NSC800658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800658",NA,"C1=CC=C2C(=C1)C3=C4C(=C5C(=C3N2)NC(=N5)N)C6=CC=CC=C6N4","PHEHEURBBGJBEG-UHFFFAOYSA-N",155807693,NA,"PDBC50686","800658","Present",NA,NA
+"50687","NSC800746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800746",NA,"C1=CC=C(C=C1)C2=NNC3(N2C4=CC=CC=C4)C=CC(=O)C5=C3C=CC=C5O","HVMYWMGLNBKBNG-UHFFFAOYSA-N",155811137,NA,"PDBC50687","800746","Present",NA,NA
+"50688","NSC800814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800814",NA,"C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2","HWXVIOGONBBTBY-ARJAWSKDSA-N",73014199,NA,"PDBC50688","800814","Present",NA,NA
+"50689","NSC800817",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800817",NA,"CN1C=C(C2=CC=CC=C21)C3=NC=NC4=C3C=C(C=C4)C5=CC(=C(N=C5)Cl)NS(=O)(=O)C","KKFZMVGEKGMOMK-UHFFFAOYSA-N",155807708,NA,"PDBC50689","800817","Present",NA,NA
+"50690","NSC800818",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800818",NA,"CC1=C(C=CC(=C1)OC2=CC=CC=C2)NC3=NC=NC4=C3C=C(C=C4)C5=CC(=C(N=C5)Cl)NS(=O)(=O)C","MJIMHXGERISKNP-UHFFFAOYSA-N",155817012,NA,"PDBC50690","800818","Present",NA,NA
+"50691","NSC800879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800879",NA,"CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1","VXBAJLGYBMTJCY-IHWYPQMZSA-N",73014218,NA,"PDBC50691","800879","Present",NA,NA
+"50692","NSC800928",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800928",NA,"C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)Br)C=CC(=O)C3=NC=CN3","TZMQBCAKSDDEDW-BJMVGYQFSA-N",155807747,NA,"PDBC50692","800928","Present",NA,NA
+"50693","NSC800931",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800931",NA,"CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)S(F)(F)(F)(F)F","DNXHWSLJYVURKC-IZZDOVSWSA-N",155817055,NA,"PDBC50693","800931","Present",NA,NA
+"50694","NSC800932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800932",NA,"CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)Br","QCSNPNYRALDIDP-IZZDOVSWSA-N",155806161,NA,"PDBC50694","800932","Present",NA,NA
+"50695","NSC801078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801078",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C=CC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","HDGMFSSBENOIFR-KNIHMLGBSA-N",155807748,NA,"PDBC50695","801078","Present",NA,NA
+"50696","NSC801079",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801079",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)NC(=O)OCC6=CCCC7(C(O7)C8C(CC6)C(=C)C(=O)O8)C)O","SDFSXUIPEQRXKS-JPSXRNAPSA-N",155812443,NA,"PDBC50696","801079","Present",NA,NA
+"50697","NSC801121",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801121",NA,"CC1(C2CCC3(C(C2(CCC1N)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCO)CO)C)C)C","NUMDCZFKPVPXKE-SJOMWMNGSA-N",49866067,NA,"PDBC50697","801121","Present",NA,NA
+"50698","NSC801122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801122",NA,"CC1(C2CCC3(C(C2(CCC1NCCC4=CC=C(C=C4)O)C)CCC5C3(CCC6(C5C(CC6)C(=C)CNCCO)CO)C)C)C","OPFARVHLHCUEBK-JEMCJYJNSA-N",49866069,NA,"PDBC50698","801122","Present",NA,NA
+"50699","NSC801124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801124",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)NC(=O)C6=C(C(=CC=C6)OC(=O)C)OC(=O)C)C)C(=O)O","NBRLKSSAOPFDJE-XTDBLSLCSA-N",155811153,NA,"PDBC50699","801124","Present",NA,NA
+"50700","NSC801125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801125",NA,"CC1(C2CCC3(C(C2(CCC1N)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCC6=CC=C(C=C6)O)CO)C)C)C","KODVCBFFYKXPLO-OGTXVEBCSA-N",25207701,NA,"PDBC50700","801125","Present",NA,NA
+"50701","NSC801126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801126",NA,"CC1(C2CCC3(C(C2(CCC1NCCO)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCC6=CC=C(C=C6)O)CO)C)C)C","MGTNLRRVXNVYSH-JEMCJYJNSA-N",49866073,NA,"PDBC50701","801126","Present",NA,NA
+"50702","NSC801127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801127",NA,"CC(CN)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)NCCO)C)CO","YYKMHGDAGCVIGJ-WTVAUPGMSA-N",155817359,NA,"PDBC50702","801127","Present",NA,NA
+"50703","NSC801128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801128",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)N)C)C(=O)O","ZZWDPHKXZJTXKA-WXCAYEECSA-N",49865912,NA,"PDBC50703","801128","Present",NA,NA
+"50704","NSC801129",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801129",NA,"CC(CN)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)N)C)CO","ACAQDLZICDQIRG-CVPVQWPCSA-N",155815844,NA,"PDBC50704","801129","Present",NA,NA
+"50705","NSC801365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801365",NA,"C1=CC2=C(C=C1NC(=O)CCl)N=CN=C2NC3=C(C=CC(=C3)O)Cl","GVQPPCNXPVHIRJ-UHFFFAOYSA-N",126963311,NA,"PDBC50705","801365","Present",NA,NA
+"50706","NSC801366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801366",NA,"CCCS(=O)(=O)NC1=CC=CC(=C1Cl)NC2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","RKAPFXLZYCWYTO-UHFFFAOYSA-N",155815845,NA,"PDBC50706","801366","Present",NA,NA
+"50707","NSC801367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801367",NA,"C#CC1=CC(=CC=C1)NC2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","RHKQJFAYOKSMPQ-UHFFFAOYSA-N",155817357,NA,"PDBC50707","801367","Present",NA,NA
+"50708","NSC801369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801369",NA,"CCN(C)S(=O)(=O)NC1=CC=CC(=C1Cl)NC2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","ACULJYNVSZTPHA-UHFFFAOYSA-N",155817358,NA,"PDBC50708","801369","Present",NA,NA
+"50709","NSC801370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801370",NA,"CC1=NC2=C(C=CC(=C2)NC(=O)CCl)C(=N1)NC3=CC=CC(=C3)C#C","QVHWMODWQFADCP-UHFFFAOYSA-N",155814347,NA,"PDBC50709","801370","Present",NA,NA
+"50710","NSC801372",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801372",NA,"C#CC1=CC(=CC=C1)NC2=NC(=NC3=C2C=CC(=C3)NC(=O)CCl)Cl","DYZZXRZWGXXMHF-UHFFFAOYSA-N",155812705,NA,"PDBC50710","801372","Present",NA,NA
+"50711","NSC801407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801407",NA,"CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)CCOC)C4=C(C=CC=C4Cl)Cl","WUEJFDOJIBRVBJ-UHFFFAOYSA-N",135381349,NA,"PDBC50711","801407","Present",NA,NA
+"50712","NSC801409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801409",NA,"CCN(CC)CCOC1=CC=C(C=C1)NC2=NC=C3C=C(C(=O)N(C3=N2)C)C4=CC=C(C=C4)O","CWORZSMRYNSMCN-UHFFFAOYSA-N",135382292,NA,"PDBC50712","801409","Present",NA,NA
+"50713","NSC801410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801410",NA,"CS(=O)(=O)C1=CC=CC(=C1)NC2=NC=C3C=C(C=CC3=N2)C4=CC=CC=C4Cl","HMHLUVLAKOYBNP-UHFFFAOYSA-N",135382276,NA,"PDBC50713","801410","Present",NA,NA
+"50714","NSC801421",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801421",NA,"CC1=CC2=C(C(=NC=C2C=C1)N)C#CC3=C(N=CC(=C3)C(=O)NC4=CC(=C(C=C4)CN5CCN(CC5)C)C(F)(F)F)C","AQADANGGZPJMDZ-UHFFFAOYSA-N",155812471,NA,"PDBC50714","801421","Present",NA,NA
+"50715","NSC801422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801422",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C=C4C#N)N","JVPCKCAKYWKMEG-UHFFFAOYSA-N",134264336,NA,"PDBC50715","801422","Present",NA,NA
+"50716","NSC801428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801428",NA,"COC(=O)C1=C(C2C3C(C1(O2)C(CC4=CC=CC=C4)OC5=CC=CC=C5)O3)C(=O)NC6=CN=CC=C6","FVBNNCPUBSEPOM-UHFFFAOYSA-N",155815578,NA,"PDBC50716","801428","Present",NA,NA
+"50717","NSC801444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801444",NA,"CC1=CC(=C(C=C1)NC2=NC34CC(=O)CCC3(C5CCC6(C(C5CC4S2)CCC6=O)C)C)C","GSJGBDUEQIFKJX-PSTCUZNPSA-N",155817101,NA,"PDBC50717","801444","Present",NA,NA
+"50718","NSC801446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801446",NA,"CC12CCC3C(C1CCC2=O)CC4C5(C3(CCC(=O)C5)C)N=C(S4)NC6=CC(=CC=C6)F","RWPLISKIJZLARM-GPDNPWSOSA-N",155814073,NA,"PDBC50718","801446","Present",NA,NA
+"50719","NSC801461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801461",NA,"C#CCOC1=CC=CC(=C1)C2=NC=NC3=C2C=CC(=C3)NC(=O)CCl","CCACMGGPUJQIOQ-UHFFFAOYSA-N",155812480,NA,"PDBC50719","801461","Present",NA,NA
+"50720","NSC801463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801463",NA,"C#CCOC1=CC=CC(=C1)C2=NC=C3C=C(C=CC3=N2)NC(=O)CCl","CVUCEVPWDHLFMQ-UHFFFAOYSA-N",155806230,NA,"PDBC50720","801463","Present",NA,NA
+"50721","NSC801465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801465",NA,"C#CCOC1=CC=CC(=C1)NC2=C3C(=NC=N2)N(C=N3)C4CCN(C4)C(=O)CCl","RFJRBHUZVQQNNE-UHFFFAOYSA-N",155810934,NA,"PDBC50721","801465","Present",NA,NA
+"50722","NSC801585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801585",NA,"CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CNC5=CC=CC=C54","AAOGEHKCUJIANS-UHFFFAOYSA-N",155807828,NA,"PDBC50722","801585","Present",NA,NA
+"50723","NSC801590",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801590",NA,"CN1C=C(C2=C1C=CC(=C2)OC)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","LELLTUBLAAGQIK-UHFFFAOYSA-N",155812478,NA,"PDBC50723","801590","Present",NA,NA
+"50724","NSC801591",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801591",NA,"CN1C=C(C2=C1C=CC(=C2)OC)C3=NC(=CS3)C4=CN(C5=C4C=NC=C5)C","YNMQEWDANNHUQL-UHFFFAOYSA-N",155807836,NA,"PDBC50724","801591","Present",NA,NA
+"50725","NSC801592",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801592",NA,"C1=CC2=C(C=C1Br)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","LRHHPAKOCRBUAO-UHFFFAOYSA-N",155809392,NA,"PDBC50725","801592","Present",NA,NA
+"50726","NSC801594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801594",NA,"CN1C=C(C2=C1C=CC(=C2)Br)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","GGIGHXOHLRBLTM-UHFFFAOYSA-N",155815597,NA,"PDBC50726","801594","Present",NA,NA
+"50727","NSC801595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801595",NA,"CN1C=C(C2=C1C=CC(=C2)Br)C3=NC(=CS3)C4=CN(C5=C4C=NC=C5)C","AFANRVDWSJTULV-UHFFFAOYSA-N",155815596,NA,"PDBC50727","801595","Present",NA,NA
+"50728","NSC801596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801596",NA,"C1=CC2=C(C=C1F)C(=CN2)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","NOWFYKNWHZWMOO-UHFFFAOYSA-N",155817128,NA,"PDBC50728","801596","Present",NA,NA
+"50729","NSC801597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801597",NA,"CN1C=C(C2=C1C=CC(=C2)F)C3=NC(=CS3)C4=CNC5=C4C=NC=C5","NTDAGDRBWRSNCD-UHFFFAOYSA-N",155817124,NA,"PDBC50729","801597","Present",NA,NA
+"50730","NSC801598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801598",NA,"CN1C=C(C2=C1C=CC(=C2)F)C3=NC(=CS3)C4=CN(C5=C4C=NC=C5)C","QLTRWLNVKSPADX-UHFFFAOYSA-N",155817133,NA,"PDBC50730","801598","Present",NA,NA
+"50731","NSC801599",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801599",NA,"CN1C=C(C2=C1C=CN=C2)C3=CSC(=N3)C4=CNC5=C4C=C(C=C5)F","UINSJPBKKDTENP-UHFFFAOYSA-N",155810935,NA,"PDBC50731","801599","Present",NA,NA
+"50732","NSC801805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801805",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CCSCCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","NWCKUXXUYDZNHW-GMINLOHTSA-N",155808012,NA,"PDBC50732","801805","Present",NA,NA
+"50733","NSC801806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801806",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CSCSCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","WHEAJXDDDKWLJX-QDZZEHDISA-N",155817315,NA,"PDBC50733","801806","Present",NA,NA
+"50734","NSC801807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801807",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)CSCCSCC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","KMDFCOGDJUKMBH-GMINLOHTSA-N",155808024,NA,"PDBC50734","801807","Present",NA,NA
+"50735","NSC801832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801832",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCI","JQEGIOJNESOCIR-FTKJOGDLSA-N",155814253,NA,"PDBC50735","801832","Present",NA,NA
+"50736","NSC801833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801833",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)C6=CC=CC=C6","ABYKPBDVHQCKSQ-ZJAGGPIYSA-N",155812624,NA,"PDBC50736","801833","Present",NA,NA
+"50737","NSC801836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801836",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C=CC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCI","XGMUHKJDVUWLCR-UBXKAFLBSA-N",155812622,NA,"PDBC50737","801836","Present",NA,NA
+"50738","NSC801838",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801838",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)C=CC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)C6=CC=CC=C6","JXUZLUGWIJYUSL-ITKYZODHSA-N",155814255,NA,"PDBC50738","801838","Present",NA,NA
+"50739","NSC801839",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801839",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCC4=CC=C(C=C4)CN5C(=O)N(SC5=O)CCCCl","XTSBTJZOVUZVTP-LKBGUSNKSA-N",155815745,NA,"PDBC50739","801839","Present",NA,NA
+"50740","NSC802113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802113",NA,"CC(C)N1C2=NC=NC(=C2C(=N1)C#CC3=CC(=CC=C3)O)N","HFGDXJQGICLTIE-UHFFFAOYSA-N",44475985,NA,"PDBC50740","802113","Present",NA,NA
+"50741","NSC802114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802114",NA,"CC(C)N1C2=NC=NC(=C2C(=N1)C#CC3=CC(=CC=C3)NC(=O)C4=CC(=CC=C4)C(F)(F)F)N","NYUZAHPHSBKPPK-UHFFFAOYSA-N",127034964,NA,"PDBC50741","802114","Present",NA,NA
+"50742","NSC802120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802120",NA,"CC1=C(C(=CC=C1)NC(=O)C=C)NC2=NC=NC(=C2)C3=C(N=CC=C3)CC4=C(C(=CC(=C4C)OC)OC)C","YUIGFJLJDAZVFL-UHFFFAOYSA-N",155807977,NA,"PDBC50742","802120","Present",NA,NA
+"50743","NSC802122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802122",NA,"COC1=CC=C(C=C1)NC2=NC=C(C(=N2)NCCCNC(=O)C3CCC3)Br","LSWULXMSBKNGOV-UHFFFAOYSA-N",155812621,NA,"PDBC50743","802122","Present",NA,NA
+"50744","NSC802181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802181",NA,"CC(C)OC(=O)OCOP(=O)(C1CCCN(C1=O)O)OCOC(=O)OC(C)C","LOBWXUKHPJNCIT-UHFFFAOYSA-N",155808076,NA,"PDBC50744","802181","Present",NA,NA
+"50745","NSC802251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802251",NA,"CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4CCCCC4)OC(=O)C=CC5CCCCC5","NODKBRTWYFBEJQ-OXBSAGKHSA-N",155807855,NA,"PDBC50745","802251","Present",NA,NA
+"50746","NSC802252",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802252",NA,"CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4CCCCC4)OC(=O)C=C(C)C5=CC=CC=C5","FAUHIVXNXVBMBX-AGWUXBGVSA-N",155809412,NA,"PDBC50746","802252","Present",NA,NA
+"50747","NSC802253",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802253",NA,"CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4CCCCC4)OC(=O)C5=CC6=CC=CC=C6C=C5","IDLVJHYEYXKECJ-CVLVEMSBSA-N",155815612,NA,"PDBC50747","802253","Present",NA,NA
+"50748","NSC802254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802254",NA,"CC1CCC2C1C(C3(CC(C2(O3)C)OC(=O)CO)C4CCCCC4)OC(=O)C5=C(C6=CC=CC=C6C=C5)C","XYBKQGFZZNEMHV-YYIXDMOWSA-N",155806258,NA,"PDBC50748","802254","Present",NA,NA
+"50749","NSC802356",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802356",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)N)C)CNCCO","XMSXUWDUOAVFOI-CXLFGHKYSA-N",46207708,NA,"PDBC50749","802356","Present",NA,NA
+"50750","NSC802357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802357",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)CO)N)C)CN","BAXSUWWZWOAEOY-QWAZACGGSA-N",46234092,NA,"PDBC50750","802357","Present",NA,NA
+"50751","NSC802358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802358",NA,"CC1(C2CCC3(C(C2(CCC1N)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCC6=CC=C(C=C6)O)COC7CCCCO7)C)C)C","NAGVYUZFWQADHM-PRJIGYKZSA-N",57605941,NA,"PDBC50751","802358","Present",NA,NA
+"50752","NSC802359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802359",NA,"CC1(C2CCC3(C(C2(CCC1NCCO)C)CCC4C3(CCC5(C4C(CC5)C(=C)CNCCC6=CC=C(C=C6)O)COC7CCCCO7)C)C)C","GXEMKHRCUFYTFY-VBVJYJAFSA-N",57605942,NA,"PDBC50752","802359","Present",NA,NA
+"50753","NSC802360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802360",NA,"CC(=C)C1CCC2(C1C3CCC4C(C3(CC2)C)(CCC5C4(C=C(C(=O)C5(C)C)C#N)C)C)CO","QOBGUGDUMKZVRC-ZLYZMSFYSA-N",11561743,NA,"PDBC50753","802360","Present",NA,NA
+"50754","NSC802366",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802366",NA,"C1CN(CCN1CCCNC2=C3C=CC(=CC3=NC=C2)Cl)C4=NC(=NC5=CC=CC=C54)N6CCOCC6","BNTJJIRTOQTIGQ-UHFFFAOYSA-N",155806254,NA,"PDBC50754","802366","Present",NA,NA
+"50755","NSC802367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802367",NA,"C1CN(CCN1CCCNC2=C3C=CC(=CC3=NC=C2)Cl)C4=NC(=NC5=CC=CC=C54)N6C=CN=C6","QNWLHVAGFZTRPZ-UHFFFAOYSA-N",155809415,NA,"PDBC50755","802367","Present",NA,NA
+"50756","NSC802535",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802535",NA,"CC=C(C)C(=O)OC1C=C(C(=O)C(C1C(C)C)OC(=O)C2(C(O2)C)C)CO","ABWZXWZSTAKDDW-XFFZJAGNSA-N",155817014,NA,"PDBC50756","802535","Present",NA,NA
+"50757","NSC802536",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802536",NA,"CC=C(C)C(=O)OC1C=C(C(=O)C(C1C(C)C)OC(=O)C(=CC)C)CO","RSAFYLIOGXTBSD-AJDRMPRJSA-N",155812388,NA,"PDBC50757","802536","Present",NA,NA
+"50758","NSC802537",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802537",NA,"CC=C(C)C(=O)OC1C=C(C(=O)C(C1C(C)C)OC(=O)C(C)(C(C)Cl)O)CO","HDOKCWOUTBGKGC-XFFZJAGNSA-N",155812394,NA,"PDBC50758","802537","Present",NA,NA
+"50759","NSC802539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802539",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=C(C=C5)C#N)N","RODXUXKKQSCHHG-UHFFFAOYSA-N",155817019,NA,"PDBC50759","802539","Present",NA,NA
+"50760","NSC802540",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802540",NA,"CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CN=CC(=C3)C#CC4=C5C=C(C=CC5=CN=C4N)F)C(F)(F)F","AEGYXIUOXYFIMK-UHFFFAOYSA-N",134276774,NA,"PDBC50760","802540","Present",NA,NA
+"50761","NSC802541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802541",NA,"CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=C(N=CC5=CC=CC=C54)N","WRMCNIXLWYMNMK-UHFFFAOYSA-N",155813962,NA,"PDBC50761","802541","Present",NA,NA
+"50762","NSC802542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802542",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=CC5=C4C=CC=N5","UHZAKLGSRFIJQL-UHFFFAOYSA-N",155817016,NA,"PDBC50762","802542","Present",NA,NA
+"50763","NSC802543",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802543",NA,"CN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C#CC4=C5C=C(C=CC5=CN=C4N)F)C(F)(F)F","SLJCXPOXCVXGBN-UHFFFAOYSA-N",155807712,NA,"PDBC50763","802543","Present",NA,NA
+"50764","NSC802544",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802544",NA,"CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=C(C=C5)OC)N","YMWDRTPUVFJGCQ-UHFFFAOYSA-N",155815519,NA,"PDBC50764","802544","Present",NA,NA
+"50765","NSC802545",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802545",NA,"CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=C(C=C5)F)N","ATUNJVMZHZUMLV-UHFFFAOYSA-N",155813971,NA,"PDBC50765","802545","Present",NA,NA
+"50766","NSC802546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802546",NA,"CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=C5C=C(C=CC5=CN=C4N)OC","WOGPXVCJGYCODC-UHFFFAOYSA-N",155817020,NA,"PDBC50766","802546","Present",NA,NA
+"50767","NSC802547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802547",NA,"CC1=C(C=C(C=N1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C(C5=C4C=CC=N5)NC6CC6","MAGBYSGWXIGQKT-UHFFFAOYSA-N",155813970,NA,"PDBC50767","802547","Present",NA,NA
+"50768","NSC802733",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802733",NA,"C(C(=O)NC(=C(Cl)Cl)C#N)Cl","XLBHIDXDGGJQJZ-UHFFFAOYSA-N",1375579,NA,"PDBC50768","802733","Present",NA,NA
+"50769","NSC802743",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802743",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3)S(=O)C","JNUJXGVBCJMQHA-UHFFFAOYSA-N",121597067,NA,"PDBC50769","802743","Present",NA,NA
+"50770","NSC802752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802752",NA,"C1CCN(CC1)S(=O)(=O)N=C2C(=C(Cl)Cl)NC(=O)N2","GZLHUXYYZNJPNC-UHFFFAOYSA-N",155807714,NA,"PDBC50770","802752","Present",NA,NA
+"50771","NSC802769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802769",NA,"CC1=CC=C(C=C1)C2=NC3=C(O2)C(=NC(=N3)C4=CC=CC=C4)N5CCNCC5","FOFVPNMYBLVSPD-UHFFFAOYSA-N",132353497,NA,"PDBC50771","802769","Present",NA,NA
+"50772","NSC802770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802770",NA,"CC1=CC=C(C=C1)C2=NC3=C(C(=N2)N4CCNCC4)OC(=N3)C5=CC=CC=C5","CDQUXEABLMOZCB-UHFFFAOYSA-N",132353366,NA,"PDBC50772","802770","Present",NA,NA
+"50773","NSC802771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802771",NA,"CC1=CC=C(C=C1)C2=NC3=C(C(=N2)N4CCCNCC4)OC(=N3)C5=CC=CC=C5","HOHALZKVJMJAOJ-UHFFFAOYSA-N",132353367,NA,"PDBC50773","802771","Present",NA,NA
+"50774","NSC802772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802772",NA,"CC1=CC=C(C=C1)C2=NC3=C(C(=N2)N4CCNCC4)OC(=N3)C5=CC=C(C=C5)C","XPSOODMGZHWOBY-UHFFFAOYSA-N",132353491,NA,"PDBC50774","802772","Present",NA,NA
+"50775","NSC802773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802773",NA,"CC1=CC=C(C=C1)C2=NC3=C(C(=N2)N4CCCNCC4)OC(=N3)C5=CC=C(C=C5)C","SSAVOSKJHLZSRV-UHFFFAOYSA-N",132353492,NA,"PDBC50775","802773","Present",NA,NA
+"50776","NSC802774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802774",NA,"CC1=CC=C(C=C1)C2=NC3=C(O2)C(=NC(=N3)C4=CC=CC=C4)N5CCCNCC5","HTAXTTRMSSGGNS-UHFFFAOYSA-N",132353498,NA,"PDBC50776","802774","Present",NA,NA
+"50777","NSC802778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802778",NA,"COC(=O)C1=C(OC(=N1)C2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3","NWQOGGVXLYERNN-UHFFFAOYSA-N",60174067,NA,"PDBC50777","802778","Present",NA,NA
+"50778","NSC802787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802787",NA,"CC1=CC=C(C=C1)C2=NC(=C(O2)S(=O)(=O)N3C(=CC(=N3)C)N)C#N","CLAYTGBKOGLLMT-UHFFFAOYSA-N",73254066,NA,"PDBC50778","802787","Present",NA,NA
+"50779","NSC802803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802803",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(OC(=N2)C3=CC=CC=C3)S(=O)(=O)C","GXCIBHJSAMHGFX-UHFFFAOYSA-N",1188398,NA,"PDBC50779","802803","Present",NA,NA
+"50780","NSC802943",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC802943",NA,"CC1=NC2=C(C(=N1)Cl)SC(=S)N2C3=C(C=C(C=C3)OC)OC","NNKYAHQQRCIKAG-UHFFFAOYSA-N",155807782,NA,"PDBC50780","802943","Present",NA,NA
+"50781","NSC803051",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803051",NA,"CC1CCN(CC1)C(=O)CS(=O)C2=C(N=C(O2)C3=CC=C(C=C3)OC)S(=O)(=O)C4=CC=CC=C4","FMOHRSUVSYPPRN-UHFFFAOYSA-N",91928007,NA,"PDBC50781","803051","Present",NA,NA
+"50782","NSC803226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803226",NA,"C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=NON=C4N=C3","WCHQLPPTQDPOCQ-UHFFFAOYSA-N",145916535,NA,"PDBC50782","803226","Present",NA,NA
+"50783","NSC803243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803243",NA,"CC1=NN(C2=C1C(CC(=O)N2)C3=CC(=CC(=C3)OC)OC)C4=NC5=CC=CC=C5N4","ZPRTXSDMQRLNLP-UHFFFAOYSA-N",155807934,NA,"PDBC50783","803243","Present",NA,NA
+"50784","NSC803281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803281",NA,"COC1=NC2=CC=CC=C2C=C1C3=NC4=C(C=NN4C5=CC=C(C=C5)Br)C(=O)N3","VEWWTIYTUWYUOJ-UHFFFAOYSA-N",155806352,NA,"PDBC50784","803281","Present",NA,NA
+"50785","NSC803330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803330",NA,"C1CC(C2=C(C1)N=C3C(=C2)C(=C(S3)C(=O)NC4=CC=CC=N4)N)O","KEVIXOCDKAKJNS-UHFFFAOYSA-N",155811045,NA,"PDBC50785","803330","Present",NA,NA
+"50786","NSC803334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803334",NA,"C1CCCCC2=NC3=C(C=C2CCC1)C(=C(S3)C(=O)NC4=CC=NC=C4)N","NRKAAKJIVBXZDP-UHFFFAOYSA-N",155812579,NA,"PDBC50786","803334","Present",NA,NA
+"50787","NSC803347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803347",NA,"CC1=C(C=C2C(=C(SC2=N1)C(=O)NC3=CC=CC=C3)N)C(=O)C4=CC=CC=C4","LHZREZXXLYNSMC-UHFFFAOYSA-N",155807933,NA,"PDBC50787","803347","Present",NA,NA
+"50788","NSC803349",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803349",NA,"CC1=C(C=CC=C1Cl)NC(=O)C2=C(C3=CC(=C(N=C3S2)C)C(=O)C4=CC=CC=C4)N","GJROGSMMNLIADD-UHFFFAOYSA-N",155806353,NA,"PDBC50788","803349","Present",NA,NA
+"50789","NSC803399",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803399",NA,"CC(C)C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SC)SC4=C3CCC(=O)C4","OLRNAWBEUZPMAO-UHFFFAOYSA-N",155811039,NA,"PDBC50789","803399","Present",NA,NA
+"50790","NSC803400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803400",NA,"C1CC2=C(CC1=O)SC3=C2C(=O)N(C(=S)N3)CC4=CC=CC=C4","ADNUIPHEVWSZCR-UHFFFAOYSA-N",155809496,NA,"PDBC50790","803400","Present",NA,NA
+"50791","NSC803415",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803415",NA,"CCCCCCCCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC(=C(C=C2)F)OC","YCJZTTBKSVQCOV-QZWVJJBASA-N",155812445,NA,"PDBC50791","803415","Present",NA,NA
+"50792","NSC803416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803416",NA,"CCCCCCCCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC(=C(C=C2)OC)F","FBVGABYLLCDBAS-QZWVJJBASA-N",155809337,NA,"PDBC50792","803416","Present",NA,NA
+"50793","NSC803417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803417",NA,"CCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC(=C(C=C2)OC)F","ZVUZFRNDWCIFLX-PPUHSXQSSA-N",155812446,NA,"PDBC50793","803417","Present",NA,NA
+"50794","NSC803419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803419",NA,"CCCCCCCCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC=CS2","RJHCCNKAVMJKND-GEPVFLLWSA-N",155812447,NA,"PDBC50794","803419","Present",NA,NA
+"50795","NSC803420",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803420",NA,"CCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC(=CS2)Br","AUPVFGAHQNAYTG-DIAVIDTQSA-N",155814031,NA,"PDBC50795","803420","Present",NA,NA
+"50796","NSC803422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803422",NA,"CCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CSC=C2","XKKLFGGYWORIAV-QSVWIEALSA-N",155809333,NA,"PDBC50796","803422","Present",NA,NA
+"50797","NSC803423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803423",NA,"CCCCCCCCCCCCNC(=O)C1CSC(N1)C2=CC3=CC=CC=C3S2","XBTSZRDQPPAQLZ-CGHJUBPDSA-N",155809331,NA,"PDBC50797","803423","Present",NA,NA
+"50798","NSC803428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803428",NA,"CC(=C(C1=CC=C(C=C1)OCCN2CCOCC2)C3=CC=C(C=C3)OC(=O)CC4=CC=CC=C4)CC5=CC=C(C=C5)OC","BSFWPRAHSKXEJN-PNFNHJRFSA-N",155809334,NA,"PDBC50798","803428","Present",NA,NA
+"50799","NSC803434",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803434",NA,"CCCCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=CC=C2)C3=CC=C(C=C3)OCCN(CC)CC","YSBKNCDNTTYJOL-MUGXBBEHSA-N",155807760,NA,"PDBC50799","803434","Present",NA,NA
+"50800","NSC803462",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803462",NA,"CC(C)(CCN=C(N)NC1=NC=C(C(=C1)OC)C#N)OC2=CC=C(C=C2)C(F)(F)F","TUTJYQWLSMKYBY-UHFFFAOYSA-N",155809363,NA,"PDBC50800","803462","Present",NA,NA
+"50801","NSC803463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803463",NA,"CC(C)(CCN=C(N)NC1=NC=C(C(=C1)OC)C#N)C2=CC=C(C=C2)C(F)(F)F","TZYFFYLWWVUYDK-UHFFFAOYSA-N",155810912,NA,"PDBC50801","803463","Present",NA,NA
+"50802","NSC803573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803573",NA,"C#CCOC1=CC=CC(=C1)NC2=NC=C3C(=N2)N(C=N3)C4CCN(C4)C(=O)CCl","CJXQXZFTLPZYON-UHFFFAOYSA-N",155811078,NA,"PDBC50802","803573","Present",NA,NA
+"50803","NSC803574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803574",NA,"C#CCN1C=NC2=CN=C(N=C21)NC3=CC(=CC=C3)NC(=O)CCl","KTERZCYXZJSTFL-UHFFFAOYSA-N",155809546,NA,"PDBC50803","803574","Present",NA,NA
+"50804","NSC803577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803577",NA,"CC(C(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)OC#C)Cl","QMICQAHUVVTLMY-LBPRGKRZSA-N",155812627,NA,"PDBC50804","803577","Present",NA,NA
+"50805","NSC803578",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803578",NA,"C#COC1=CC=CC(=C1)NC2=C3C=C(C=NC3=NC=C2C#N)NC(=O)CCl","GNVRCAPNJKWNIZ-UHFFFAOYSA-N",155806400,NA,"PDBC50805","803578","Present",NA,NA
+"50806","NSC803580",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803580",NA,"C#COC1=CC=CC(=C1)NC2=NC=NC3=C2C=C(C=N3)NC(=O)CCl","IGCHCNRJHJPBDV-UHFFFAOYSA-N",155809547,NA,"PDBC50806","803580","Present",NA,NA
+"50807","NSC803582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803582",NA,"CC(C(=O)NC1=CC2=C(C=C1)C(=NC=N2)NC3=CC(=CC=C3)OC#C)Cl","QMICQAHUVVTLMY-GFCCVEGCSA-N",155814261,NA,"PDBC50807","803582","Present",NA,NA
+"50808","NSC803713",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803713",NA,"COC1=CC2=C3C(CN(C3=CC(=C2C=C1)O)C(=O)C4=CC5=C([Se]4)C=CC(=C5)NC(=O)CCN6CCOCC6)CCl","PXIFGRYDHZKICB-LJQANCHMSA-N",155807738,NA,"PDBC50808","803713","Present",NA,NA
+"50809","NSC808507",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC808507",NA,"C1C(C(C(C1N2C=CC3=C(N=CN=C32)N)O)O)CCC4=CC5=NC(=C(C=C5C=C4)Br)N","DBSMLQTUDJVICQ-CJODITQLSA-N",126637809,NA,"PDBC50809","808507","Present",NA,NA
+"50810","NSC810341",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC810341",NA,"CN1C=C(C=N1)NC2=NC3=C(C(=CN3)Cl)C(=N2)OCC4CN(CC4OC)C(=O)C=C","ODMXWZROLKITMS-RISCZKNCSA-N",71535003,NA,"PDBC50810","810341","Present",NA,NA
+"50811","NSC8179",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC8179",NA,"C1=CC=C(C=C1)C2=NC(=NN2)NC(=O)N","RUQGXFJIPMDCFD-UHFFFAOYSA-N",222304,NA,"PDBC50811","8179","Present",NA,NA
+"50812","NSC83391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC83391",NA,"C1CN2CCC1C(C2)OC(=O)CC(=O)C3=CC=CC=C3.Cl","UXQAKRIBMKLWLQ-UHFFFAOYSA-N",54605750,NA,"PDBC50812","83391","Present",NA,NA
+"50813","NSC85431",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC85431",NA,"CC(C)NCCC(C1=CC2=CC=CC=C2O1)O.Cl","PFDDMHZCNBWNGC-UHFFFAOYSA-N",54605766,NA,"PDBC50813","85431","Present",NA,NA
+"50814","NSC87119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC87119",NA,"CC1=CC=C(C=C1)N2CCN(CC2)CCC(=O)O.Cl","COCDSXRZORLFFI-UHFFFAOYSA-N",24189274,NA,"PDBC50814","87119","Present",NA,NA
+"50815","NSC89133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC89133",NA,NA,NA,NA,NA,"PDBC50815","89133","Present",NA,NA
+"50816","NSC89166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC89166",NA,"C1=CC=C(C(=C1)N)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)O)O.[Na+].[Na+]","XWUFGUKTDBHIOL-UHFFFAOYSA-N",135534492,NA,"PDBC50816","89166","Present",NA,NA
+"50817","NSC90328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC90328",NA,"C[N+](C)(C)C1=NC=NC2=C1N=CN2C3CC(C(O3)CO)O.[Cl-]","UEJPGAZZGKUBFY-UHFFFAOYSA-M",5351913,NA,"PDBC50817","90328","Present",NA,NA
+"50818","NSC90567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC90567",NA,"C1=CN=C(N=C1)CC(C(=O)O)N.Cl","AXHDFXXSOYSLBA-UHFFFAOYSA-N",54606282,NA,"PDBC50818","90567","Present",NA,NA
+"50819","NSC90615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC90615",NA,"CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)Cl)Cl)C.[Na+]","MUYULFOSMQESAZ-WKSAPEMMSA-N",54606297,NA,"PDBC50819","90615","Present",NA,NA
+"50820","NSC90798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC90798",NA,"CC(=NC(C(=O)O)C(C)(C)S)C.Cl","DFUCULZNQNWMLJ-UHFFFAOYSA-N",54603994,NA,"PDBC50820","90798","Present",NA,NA
+"50821","NSC90829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC90829",NA,"CC(C)(C)C1CCC2(CC1)CCN(CC2)CCCN3CCOCC3.Cl","IBNZTMMORJMASS-UHFFFAOYSA-N",54606301,NA,"PDBC50821","90829","Present",NA,NA
+"50822","NSC92412",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC92412",NA,"C1=CC=C2C(=C1)C(=CC2=CC3=CC=NC=C3)C(C4=CC=NC=C4)O","JTMFJLXJCCVSIM-GHRIWEEISA-N",5380355,NA,"PDBC50822","92412","Present",NA,NA
+"50823","NSC95011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC95011",NA,"C1=C(C(=O)NC(=O)N1)CS(=O)(=O)CC2=CNC(=O)NC2=O","URMHILYYFZOYSQ-UHFFFAOYSA-N",261929,NA,"PDBC50823","95011","Present",NA,NA
+"50824","NSC95503",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC95503",NA,"C[N+]1(CCC2CCC(C2)C1)CCC(=O)C3=CC=CC=C3.[Cl-]","NHLZUZPDCOAJCP-UHFFFAOYSA-M",24189720,NA,"PDBC50824","95503","Present",NA,NA
+"50825","NSC95570",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC95570",NA,"C1CC2CCC1CN(C2)CCC(=O)C3=CC=CS3.Cl","JNUUKXSQHOLJMP-UHFFFAOYSA-N",24189767,NA,"PDBC50825","95570","Present",NA,NA
+"50826","NSC96491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC96491",NA,"CCN1CCCCC(=NO)C(=NO)CCCC1","RAKNVXNDFBGSEL-PHEQNACWSA-N",135488975,NA,"PDBC50826","96491","Present",NA,NA
+"50827","NSC97879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC97879",NA,"CC[N+](CC)(CCNCC(=O)N)CC(=O)N.[Cl-]","NCBKQEXLUKFYIL-UHFFFAOYSA-N",24189885,NA,"PDBC50827","97879","Present",NA,NA
+"50828","NSC97885",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC97885",NA,"CC1=C(C=C(C=C1)C(=N[N+](C)(C)C)C)C.[I-]","LQJUEFUDAGGIOP-UNGNXWFZSA-M",5459342,NA,"PDBC50828","97885","Present",NA,NA
+"50829","NSC97886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC97886",NA,"CCOC1=C(C=C(C=C1)C=N[N+](C)(C)C)OCC.[I-]","JDARWYYMJDXADG-KRWCAOSLSA-M",9570977,NA,"PDBC50829","97886","Present",NA,NA
+"50830","NSC97888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC97888",NA,"C[N+](C)(C)CC(=O)NN=CC1=CC(=C(C(=C1)OC)OC)OC.[Cl-]","ALCHWRXKFZPVCI-LFMIJCLESA-N",6435675,NA,"PDBC50830","97888","Present",NA,NA
+"50831","NSC98946",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC98946",NA,"CC(=O)NC1=NC=C(C=C1)C(=O)NC2C3N(C2=O)C(C(S3)(C)C)C(=O)O","UUBFNFFHSLNZAI-UHIISALHSA-N",264087,NA,"PDBC50831","98946","Present",NA,NA
+"50832","NSC99526",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC99526",NA,"CC1=CC=CC=C1C(=N)C2=CC=CC=C2CC3=CC=CC4=CC=CC=C43.Cl","YVQMKABBTDQTBC-UHFFFAOYSA-N",24190000,NA,"PDBC50832","99526","Present",NA,NA
+"50833","NTRC-0066-0",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NTRC-0066-0",NA,"CCC1=C(C(=CC=C1)CC)NC(=O)C2=C3CCC4=CN=C(N=C4N3C=C2)NC5=C(C=C(C=C5)N6CCN(CC6)C)OC","HGEIUFJVGHMGRR-UHFFFAOYSA-N",122632882,NA,"PDBC50833","794589","Present",NA,NA
+"50834","NU 9611-29",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NU 9611-29",NA,"CC1C2=CC(=C(C=C2CC(N1)C(=O)O)O)O","DMJYNLHZLIZUQE-UHFFFAOYSA-N",162692,NA,"PDBC50834","157943","Present",NA,NA
+"50835","NUCVRSVMWQIEPX-MDZDMXLPSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NUCVRSVMWQIEPX-MDZDMXLPSA-N",NA,"CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)[N+](=O)[O-])CCl)C","NUCVRSVMWQIEPX-MDZDMXLPSA-N",5469644,NA,"PDBC50835","691243","Present",NA,NA
+"50836","NUGXXGLKPAJMEO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NUGXXGLKPAJMEO-UHFFFAOYSA-N",NA,"CCN1C(=O)C(C(=O)NC1=O)(C)N2C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F","NUGXXGLKPAJMEO-UHFFFAOYSA-N",24765668,NA,"PDBC50836","748722","Present",NA,NA
+"50837","NWSIKXMQUQTYMS-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NWSIKXMQUQTYMS-UHFFFAOYSA-N",NA,"CC(C)C1C(C(=C(O1)N)C#N)(C#N)C#N","NWSIKXMQUQTYMS-UHFFFAOYSA-N",387792,NA,"PDBC50837","681864","Present",NA,NA
+"50838","NYGUYYAVMUERTC-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NYGUYYAVMUERTC-UHFFFAOYSA-N",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)C(=O)C2=CC3=CC=CC=C3C=C2","NYGUYYAVMUERTC-UHFFFAOYSA-N",386595,NA,"PDBC50838","679045","Present",NA,NA
+"50839","NZGYKRZCFKSQDV-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NZGYKRZCFKSQDV-UHFFFAOYSA-N",NA,"CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C#N","NZGYKRZCFKSQDV-UHFFFAOYSA-N",375633,NA,"PDBC50839","655455","Present",NA,NA
+"50840","Nagilactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nagilactone C",NA,"CC(C)C1=C2C(C3C4C(C(C5C(C4(C2=CC(=O)O1)C)O5)O)(C(=O)O3)C)O","DGNOPGIIPQKNHD-UHFFFAOYSA-N",319648,NA,"PDBC50840","211500","Present",NA,NA
+"50841","Nakafuran-8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nakafuran-8",NA,"CC1CC2C=C(C1(CCC3=C2OC=C3)C)C","ONWLIEGVFPRFSF-UHFFFAOYSA-N",360241,NA,"PDBC50841","622261","Present",NA,NA
+"50842","Naltrexonazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naltrexonazine",NA,"C1CC1CN2CCC34C5C(=NN=C6CCC7(C8CC9=C1C7(C6OC1=C(C=C9)O)CCN8CC1CC1)O)CCC3(C2CC1=C4C(=C(C=C1)O)O5)O","GSYDZKZBXPTRGD-UHFFFAOYSA-N",356432,NA,"PDBC50842","612112","Present",NA,NA
+"50843","Nampt-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-3154567",NA,"CC(C)(CS(=O)(=O)NC1=CC2=C(CN(CC2)C(=O)COC3=CN=CC=C3)C=C1)O","QHHSCLARESIWBH-UHFFFAOYSA-N",92044379,NA,"PDBC50843","789099","Present",NA,NA
+"50844","Nanaomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nanaomycin",NA,"CC1C2=C(CC(O1)CC(=O)O)C(=O)C3=C(C2=O)C(=CC=C3)O","ZCJHPTKRISJQTN-UHFFFAOYSA-N",40586,NA,"PDBC50844","267461","Present",NA,NA
+"50845","Nandrolone phenpropionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nandrolone phenpropionate",NA,"CC12CCC3C(C1CCC2OC(=O)CCC4=CC=CC=C4)CCC5=CC(=O)CCC35","UBWXUGDQUBIEIZ-QNTYDACNSA-N",229455,NA,"PDBC50845","23162","Present",NA,NA
+"50846","Naphth[2, 2-methyl-4-[4-(4-morpholinyl)phenylimino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphth[2,3-d]oxazol-9(4H)-one, 2-methyl- 4-[4-(4-morphol...",NA,"CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4=CC=C(C=C4)N5CCOCC5","HLXGNWJHGGFISJ-UHFFFAOYSA-N",386916,NA,"PDBC50846","679822","Present",NA,NA
+"50847","Naphth[2, 4-[(2-aminocyclohexyl) imino]-2-methyl-, acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphth[2,3-d]oxazol-9(4H)-one, 4-[(2-aminocyclohexyl) im...",NA,"CC1=NC2=C(O1)C(=O)C3=CC=CC=C3C2=NC4CCCCC4N.CC(=O)O","YUGLXSHZXGQZAX-UHFFFAOYSA-N",388014,NA,"PDBC50847","682436","Present",NA,NA
+"50848","Naphth[2,3-c]isoxazole, 1,4,4a,5,6,7,8,8a,9,9a-decahydro-4-(4-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphth[2,3-c]isoxazole, 1,4,4a,5,6,7,8,8a,9,9a-decahydro-4-(4-methoxyphenyl)-",NA,"COC1=CC=C(C=C1)C2C3CCCCC3CC4C2=CON4","LVPHVOFUBSPBDK-UHFFFAOYSA-N",383214,NA,"PDBC50848","671330","Present",NA,NA
+"50849","Naphth[2,3-d]oxazol-4-one, 2-(1,1-dimethylethyl)-9-[(4-fluorophenyl)imino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphth[2,3-d]oxazol-4-one, 2-(1,1-dimethylethyl)-9-[(4- ...",NA,"CC(C)(C)C1=NC2=C(O1)C(=NC3=CC=C(C=C3)F)C4=CC=CC=C4C2=O","JHMXSOFFBBXSEB-UHFFFAOYSA-N",362345,NA,"PDBC50849","626030","Present",NA,NA
+"50850","Naphth[2,3-f]isoquinoline-3(2H)-carboxylic acid, 1,4,6,7,12,12b-hexahydro-5,6-dimethyl-7,12-dioxo-, 2-methylpropyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isobutyl 5,6-dimethyl-7,12-dioxo-2,4,6,12b-tetrahydro-1H-naphtho[2,3-f]isoquinoline-3-carboxylate",NA,"CC1C(=C2CN(CCC2C3=C1C(=O)C4=CC=CC=C4C3=O)C(=O)OCC(C)C)C","QFENZYCUJSYIED-UHFFFAOYSA-N",378544,NA,"PDBC50850","661178","Present",NA,NA
+"50851","Naphthalen-1-yl 1-methyl-4-nitro-1h-imidazole-5-sulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z1603789400",NA,"CN1C=NC(=C1S(=O)(=O)OC2=CC=CC3=CC=CC=C32)[N+](=O)[O-]","SFAMFMRSBAURBQ-UHFFFAOYSA-N",236065,NA,"PDBC50851","38090","Present",NA,NA
+"50852","Naphthalen-1-yl-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalen-1-yl(2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methanone",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)C(=O)C2=CC=CC3=CC=CC=C32","GVBOTAJHEWWOEP-UHFFFAOYSA-N",386597,NA,"PDBC50852","679047","Present",NA,NA
+"50853","Naphthalen-1-ylmethyl N,N'-dioctylcarbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalen-1-ylmethyl N,N'-dioctylcarbamimidothioate;hydrochloride",NA,"CCCCCCCCNC(=NCCCCCCCC)SCC1=CC=CC2=CC=CC=C21.Cl","WRTZVQIEXDVSPZ-UHFFFAOYSA-N",54603590,NA,"PDBC50853","65466","Present",NA,NA
+"50854","Naphthalene, 1,4-bis(oxiranylmethoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene, 1,4-bis(oxiranylmethoxy)-",NA,"C1C(O1)COC2=CC=C(C3=CC=CC=C32)OCC4CO4","RHYLFJIYMVTKQO-UHFFFAOYSA-N",384118,NA,"PDBC50854","673347","Present",NA,NA
+"50855","Naphthalene,3-dimethoxy-6-(2-nitroethenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene, 2,3-dimethoxy-6-(2-nitroethenyl)-",NA,"COC1=C(C=C2C=C(C=CC2=C1)C=C[N+](=O)[O-])OC","YBDAKNRCMRSZFU-WAYWQWQTSA-N",5358372,NA,"PDBC50855","245456","Present",NA,NA
+"50856","Naphthalene-1, 2-chloro-5,8-dihydroxy-3-(2-methoxyethoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene-1,4-dione, 2-chloro-5,8-dihydroxy- 3-(2-meth...",NA,"COCCOC1=C(C(=O)C2=C(C=CC(=C2C1=O)O)O)Cl","QJOZREARNBJXFO-UHFFFAOYSA-N",135409147,NA,"PDBC50856","659997","Present",NA,NA
+"50857","Naphthalene-2-methanamine,N'-(1,6-hexanediyl)bis[6-methoxy-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthalene-2-methanamine, N,N'-(1,6-hexanediyl)bis[6-me...",NA,"COC1=CC2=C(C=C1)C=C(C=C2)CNCCCCCCNCC3=CC4=C(C=C3)C=C(C=C4)OC.Cl","DZSSFRNBJPPXSJ-UHFFFAOYSA-N",385310,NA,"PDBC50857","676426","Present",NA,NA
+"50858","Naphtho(1,2-b)quinolizinium, 13-methyl-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[1,2-b]quinolizinium, 13-methyl-, chloride",NA,"CC1=C2C(=C[N+]3=CC=CC=C13)C=CC4=CC=CC=C42.[Cl-]","KZMZPJUNOIINPX-UHFFFAOYSA-M",21144197,NA,"PDBC50858","39310","Present",NA,NA
+"50859","Naphtho(2,1-b)furan, 4-methoxy-2-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methoxy-2-nitronaphtho[2,1-b]furan",NA,"COC1=CC2=CC=CC=C2C3=C1OC(=C3)[N+](=O)[O-]","FJXJAAFKONAPKR-UHFFFAOYSA-N",100603,NA,"PDBC50859","329226","Present",NA,NA
+"50860","Naphtho(2,3-c)(1,2,5)selenadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-Benzopiazselenol",NA,"C1=CC2=CC3=N[Se]N=C3C=C2C=C1","NGFDKIDHNOEGFK-UHFFFAOYSA-N",357321,NA,"PDBC50860","615555","Present",NA,NA
+"50861","Naphtho[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[1',2':4,5]imidazo[1,2-a]pyrimidine-5,6-dione",NA,"C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=CC=NC4=N3","GKTWMKZOHJRQNH-UHFFFAOYSA-N",15760733,NA,"PDBC50861","795135","Present",NA,NA
+"50862","Naphtho[1, 10,13-dimethyl-chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naphtho[1,2-b]quinolizinium, 10,13-dimethyl- chloride",NA,"CC1=C[N+]2=C(C=C1)C(=C3C(=C2)C=CC4=CC=CC=C43)C.[Cl-]","MAIGGFGOVPYCPM-UHFFFAOYSA-M",20245316,NA,"PDBC50862","78629","Present",NA,NA
+"50863","Naphtho[1, 3,13-dimethyl-perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[1,2-b]quinolizinium, 3,13-dimethyl- perchlorate",NA,"CC1=CC2=C(C=C1)C3=C(C4=CC=CC=[N+]4C=C3C=C2)C.[O-]Cl(=O)(=O)=O","AXTOSAHNNDYMRB-UHFFFAOYSA-M",21144373,NA,"PDBC50863","93868","Present",NA,NA
+"50864","Naphtho[1, 9-methyl-, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[1,2-b]quinolizinium, 9-methyl-, bromide",NA,"CC1=[N+]2C=C3C=CC4=CC=CC=C4C3=CC2=CC=C1.[Br-]","MNRUFPOWYUXULY-UHFFFAOYSA-M",21144314,NA,"PDBC50864","77810","Present",NA,NA
+"50865","Naphtho[1,2-c]furan-3(1H)-one, 1-(2-methylphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[1,2-c]furan-3(1H)-one, 1-(2-methylphenyl)-",NA,"CC1=CC=CC=C1C2C3=C(C=CC4=CC=CC=C43)C(=O)O2","XXPUUWFQVADCRG-UHFFFAOYSA-N",362113,NA,"PDBC50865","625642","Present",NA,NA
+"50866","Naphtho[1,2-c]isochromene-6,11,12-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[1,2-c]isochromene-6,11,12-trione",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C(=O)C3=O)OC2=O","HADYLAXKAMXPFV-UHFFFAOYSA-N",401275,NA,"PDBC50866","714530","Present",NA,NA
+"50867","Naphtho[1,2-d]thiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-aminonaphthiazole",NA,"C1=CC=C2C(=C1)C=CC3=C2N=C(S3)N","FECQXVPRUCCUIL-UHFFFAOYSA-N",94880,NA,"PDBC50867","6278","Present",NA,NA
+"50868","Naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone, 1,3-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2',3'-4,5]thiazole[2,3-g]purine-2,4,7,12-tetrone...",NA,"CN1C2=C(C(=O)N(C1=O)C)N=C3N2C4=C(S3)C(=O)C5=CC=CC=C5C4=O","UKEMTDWFWSMKLU-UHFFFAOYSA-N",366232,NA,"PDBC50868","634568","Present",NA,NA
+"50869","Naphtho[2, 3,3a,4,9-tetrahydro-4-(4-fluorophenyl)-6,7-dimethoxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-c]furan-1(9a)-one, 3,3a,4,9-tetrahydro-4- (4...",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC(=C(C=C24)OC)OC)NC5=CC=C(C=C5)F","CSADSJIFHRWKJO-LYJLOTJCSA-N",369962,NA,"PDBC50869","642329","Present",NA,NA
+"50870","Naphtho[2, 5-chloro-7-methyl-perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,1-b]quinolizinium, 5-chloro-7-methyl- perchlorate",NA,"CC1=C2C=C(C3=CC=CC=C3C2=C[N+]4=CC=CC=C14)Cl.[O-]Cl(=O)(=O)=O","QRRUVNQIBKBGBN-UHFFFAOYSA-M",21144372,NA,"PDBC50870","93866","Present",NA,NA
+"50871","Naphtho[2, 7,10-dimethyl-perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,1-b]quinolizinium, 7,10-dimethyl- perchlorate",NA,"CC1=C[N+]2=C(C=C1)C(=C3C=CC4=CC=CC=C4C3=C2)C.[O-]Cl(=O)(=O)=O","HATVKTFKFQUYGO-UHFFFAOYSA-M",21144325,NA,"PDBC50871","78627","Present",NA,NA
+"50872","Naphtho[2, 7-methyl-chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,1-b]quinolizinium, 7-methyl- chloride",NA,"CC1=C2C=CC3=CC=CC=C3C2=C[N+]4=CC=CC=C14.[Cl-]","OAEOGZIDLGRMNN-UHFFFAOYSA-M",5351151,NA,"PDBC50872","28002","Present",NA,NA
+"50873","Naphtho[2,1-g][1,3]benzodioxol-6-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthro[3,4-d][1,3]dioxol-6-ylmethanol",NA,"C1OC2=C(O1)C3=C(C=C2)C(=CC4=CC=CC=C43)CO","XZQBYAHIOGJMSW-UHFFFAOYSA-N",278269,NA,"PDBC50873","127682","Present",NA,NA
+"50874","Naphtho[2,3-b][1]benzofuran-2,6-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-b][1]benzofuran-2,6-diol",NA,"C1=CC=C2C(=C1)C=C3C4=C(C=CC(=C4)O)OC3=C2O","UFWRXRXIYVWMBV-UHFFFAOYSA-N",404488,NA,"PDBC50874","720724","Present",NA,NA
+"50875","Naphtho[2,3-d][1,3]dioxole-6-carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4252AE",NA,"C1OC2=C(O1)C=C3C=C(C=CC3=C2)C#N","IKDFUPGVIMSEPZ-UHFFFAOYSA-N",359184,NA,"PDBC50875","619866","Present",NA,NA
+"50876","Naphtho[2,3-d]thiazole-2-acetonitrile, 4,9-dihydro-4,9-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-d]thiazole-2-acetonitrile, 4,9-dihydro-4,9-dioxo-",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)SC(=N3)CC#N","CSOZZEDPKBFLCX-UHFFFAOYSA-N",364766,NA,"PDBC50876","631525","Present",NA,NA
+"50877","Naphtho[2,3-f]quinoxaline-2-propanamide, 7,12-dihydro-3-hydroxy-N-(2-nitrophenyl)-alpha,7,12-trioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-f]quinoxaline-2-propanamide, 7,12-dihydro-3-hydroxy-N-(2-nitrophenyl)-alpha,7,12-trioxo-",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C4=C(C=C3)NC(=O)C(=N4)CC(=O)C(=O)NC5=CC=CC=C5[N+](=O)[O-]","JLBSZAPOFLSMGO-UHFFFAOYSA-N",369560,NA,"PDBC50877","641424","Present",NA,NA
+"50878","Naphtho[2,3-f]quinoxaline-7,12-dione, 3-hydroxy-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-f]quinoxaline-7,12-dione, 3-hydroxy-2-methyl-",NA,"CC1=NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)NC1=O","CHJRTDIKLLMQPI-UHFFFAOYSA-N",371563,NA,"PDBC50878","645892","Present",NA,NA
+"50879","Naphtho[2,9-dione, 7-chloro-1,2-dihydro-5-hydroxy-2-methoxy-2,4-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,1-b]furan-6,9-dione, 7-chloro-1,2-dihydro- 5-h...",NA,"CC1=C(C2=C(C3=C1OC(C3)(C)OC)C(=O)C=C(C2=O)Cl)O","HJXSUKIKUHSBNY-UHFFFAOYSA-N",359534,NA,"PDBC50879","620517","Present",NA,NA
+"50880","Naphtho[3,2-c]isochromene-5,7,12-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[3,2-c]isochromene-5,7,12-trione",NA,"C1=CC=C2C(=C1)C3=C(C(=O)C4=CC=CC=C4C3=O)OC2=O","NMRZDDJVDUKASA-UHFFFAOYSA-N",401276,NA,"PDBC50880","714531","Present",NA,NA
+"50881","Naphthochrome green",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naphthochrome green///NSC610938",NA,"C1=CC=C(C=C1)C(=C2C=C(C(=O)C3=CC=CC=C32)C(=O)O)C4=CC(=C(C5=CC=CC=C54)O)C(=O)O.[Na+]","MHDPEMTVXWNYAP-OSMRDGEFSA-N",54602068,NA,"PDBC50881","326211///610938","Present",NA,NA
+"50882","Naphthol AS-BI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthol AS-BI",NA,"COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)O","JIEINYQEXWLMCU-UHFFFAOYSA-N",71060,NA,"PDBC50882","367089","Present",NA,NA
+"50883","Naphthopurpurin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthopurpurin",NA,"C1=CC(=C2C(=C1O)C(=CC(=O)C2=O)O)O","FNABIKRLYLYSGJ-UHFFFAOYSA-N",376951,NA,"PDBC50883","658146","Present",NA,NA
+"50884","Naphthylazoxine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphthylazoxine",NA,"C1=CC=C2C(=C1)C=CC=C2N=NC3=CC(=C4C=CC=NC4=C3O)S(=O)(=O)O","GTBQEEPPEWJTGD-UHFFFAOYSA-N",98565,NA,"PDBC50884","148354","Present",NA,NA
+"50885","Naphtoindol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtoindol",NA,"CC1=C(C23C(=C(C4=CC=CC=C4C2=O)O)C(=O)C=CC3(N1CC5=CC=CC=C5)O)C#N","SIKRMAJJHIOIJU-UHFFFAOYSA-N",45027979,NA,"PDBC50885","740469","Present",NA,NA
+"50886","Naquotinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naquotinib",NA,"CCC1=C(N=C(C(=N1)C(=O)N)NC2=CC=C(C=C2)N3CCC(CC3)N4CCN(CC4)C)OC5CCN(C5)C(=O)C=C","QKDCLUARMDUUKN-XMMPIXPASA-N",71667668,NA,"PDBC50886","793322","Present",NA,NA
+"50887","Narceine imide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Narceine imide",NA,"CN(C)CCC1=CC2=C(C(=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)N3)OC)OCO2","FNVOXTXQQPJYRS-WJDWOHSUSA-N",5459241,NA,"PDBC50887","657324","Present",NA,NA
+"50888","Narciprimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Narciprimine",NA,"C1OC2=C(O1)C(=C3C(=C2)C4=C(C(=CC=C4)O)NC3=O)O","PEOASDPEDCJOME-UHFFFAOYSA-N",5387508,NA,"PDBC50888","624394","Present",NA,NA
+"50889","Nargenicin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NARGENICIN A",NA,"CC1C=C(C23C(CC(C(=O)OC1C(C)O)OC)C=CC4C2C(C(C(C4O3)OC(=O)C5=CC=CN5)C)O)C","YEUSSARNQQYBKH-KAMYIIQDSA-N",5458814,NA,"PDBC50889","355066","Present",NA,NA
+"50890","Naringenin trimethyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5, 7, 4' Trimethoxy Flavanone",NA,"COC1=CC=C(C=C1)C2CC(=O)C3=C(O2)C=C(C=C3OC)OC","MQFSCAHSIUPLSB-UHFFFAOYSA-N",5003667,NA,"PDBC50890","735006","Present",NA,NA
+"50891","Naviculyl Caffeate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naviculyl Caffeate",NA,"CC1CCC2(C1(CCC(=CCOC(=O)C=CC3=CC(=C(C=C3)O)O)C2C)C)C","AFTXHVWTXMMGNO-KWMWQKORSA-N",5471279,NA,"PDBC50891","710204","Present",NA,NA
+"50892","Nazartinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EGF-816",NA,"CC1=NC=CC(=C1)C(=O)NC2=NC3=C(N2C4CCCCN(C4)C(=O)C=CCN(C)C)C(=CC=C3)Cl","IOMMMLWIABWRKL-WUTDNEBXSA-N",72703790,NA,"PDBC50892","787027","Present",NA,NA
+"50893","Nedisertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nedisertib",NA,"COC1=NN=C(C=C1)C(C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)Cl)O","MOWXJLUYGFNTAL-DEOSSOPVSA-N",86292849,NA,"PDBC50893","802822","Present",NA,NA
+"50894","Neem AN AB (Leaf extract)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neem AN AB (Leaf extract)",NA,NA,NA,NA,NA,"PDBC50894","638505","Present",NA,NA
+"50895","Neem SL AB (Leaf extract)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neem SL AB (Leaf extract)",NA,NA,NA,NA,NA,"PDBC50895","638506","Present",NA,NA
+"50896","Neem SL C (Leaf extract)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neem SL C (Leaf extract)",NA,NA,NA,NA,NA,"PDBC50896","638507","Present",NA,NA
+"50897","Neferine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neferine",NA,"CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)OC)OC4=C(C=CC(=C4)CC5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC","MIBATSHDJRIUJK-UHFFFAOYSA-N",398793,NA,"PDBC50897","708929","Present",NA,NA
+"50898","Neflamapimod",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VX-745",NA,NA,NA,NA,NA,NA,3038525,NA,"PDBC50898",NA,"Absent",NA,NA
+"50899","Neo-Oxyberberine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neo-Oxyberberine",NA,"COC1=C(C2=C[N+]3=C(C4=CC5=C(C=C4CC3)OCO5)C(=C2C=C1)O)OC","WPQJUYMGQNBENF-UHFFFAOYSA-O",3620787,NA,"PDBC50899","123390","Present",NA,NA
+"50900","Neo-tanshinlactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neo-tanshinlactone",NA,"CC1=C2C=CC3=C(C2=CC=C1)OC(=O)C4=C3OC=C4C","LGZUUBFLEYOEEX-UHFFFAOYSA-N",10264769,NA,"PDBC50900","734927","Present",NA,NA
+"50901","Neoamphimedine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neoamphimedine",NA,"CN1C=CC2=C(C1=O)C(=O)C3=NC=CC4=C3C2=NC5=CC=CC=C45","HHTUKGISODJJKH-UHFFFAOYSA-N",10041259,NA,"PDBC50901","759023","Present",NA,NA
+"50902","Neoarq",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"neoARQ",NA,"CC(=CCC1=C(C2=CC=CC=C2N1)C3=C(C(=O)C(=C(C3=O)O)C4=C(NC5=CC=CC=C54)CC=C(C)C)O)C","UVEJUMDZGOFSGL-UHFFFAOYSA-N",385443,NA,"PDBC50902","676678","Present",NA,NA
+"50903","Neobrucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neobrucine",NA,"COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCCC6=C5)OC","BUQWXEFUPCTDBF-UHFFFAOYSA-N",276140,NA,"PDBC50903","123394","Present",NA,NA
+"50904","Neocaesalpin G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neocaesalpin G",NA,"CC1C2C(CC3(C1=CC(=O)O3)OC)C4(CCCC(C4(C(C2O)OC(=O)C=CC5=CC=CC=C5)O)(C)C)C","LJLXYFXCWJXAPZ-ZPZROSRQSA-N",11295185,NA,"PDBC50904","730815","Present",NA,NA
+"50905","Neocrotocembraneic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neocrotocembraneic acid",NA,"CC1=CCCC(=CC=C(CCC(=CCC1)C(=O)O)C(C)C)C","PJVZQWKLUCVIQA-UTPOLXMRSA-N",5471236,NA,"PDBC50905","709860","Present",NA,NA
+"50906","Neocryptolepine HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neocryptolepine HCl",NA,"CN1C2=CC=CC=C2C=C3C1=NC4=CC=CC=C43.Cl","GGJLFCSSMZYADC-UHFFFAOYSA-N",390527,NA,"PDBC50906","687968","Present",NA,NA
+"50907","Neocryptotanshinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-Neocryptotanshinone",NA,"CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O","LGZFJHSOBYVDLA-JTQLQIEISA-N",389888,NA,"PDBC50907","686517","Present",NA,NA
+"50908","Neocuproine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"neocuproin",NA,"CC1=NC2=C(C=C1)C=CC3=C2N=C(C=C3)C","IYRGXJIJGHOCFS-UHFFFAOYSA-N",65237,NA,"PDBC50908","4280","Present",NA,NA
+"50909","Neolan Yellow BE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"neolan yellow be",NA,"CC1=C(C=CC(=C1)S(=O)(=O)[O-])N2C(=O)[C-](C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])C(=O)[O-].[OH-].[Na+].[Cr+3]","KJLLETQJIVVDRA-UHFFFAOYSA-J",54607658,NA,"PDBC50909","326203","Present",NA,NA
+"50910","Neolignan from clerodendron inerme",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NEOLIGNAN FROM CLERODENDRON INERME",NA,"CC1C(C2C3=CC4=C(C(=C3C5=C(C6=C(C=C5C1O2)OCO6)OC)OC)OCO4)C.CC1C(C2C3=CC(=C(C(=C3C4=C(C5=C(C=C4C1O2)OCO5)OC)OC)OC)OC)C","OHZXHIMADGOUQT-UHFFFAOYSA-N",338280,NA,"PDBC50910","360036","Present",NA,NA
+"50911","Neooxypate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrvinium pamoate (usan)",NA,"CC1=CC(=C(N1C2=CC=CC=C2)C)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)N(C)C)C.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)[O-])[O-])C(=O)O","ZFWFZMYQXOKWIY-UHFFFAOYSA-L",54720821,NA,"PDBC50911","757296","Present",NA,NA
+"50912","Neopentyl sulfite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neopentyl sulfite",NA,"CC(C)(C)COS(=O)OCC(C)(C)C","MGOYUTRDTAWHOZ-UHFFFAOYSA-N",221006,NA,"PDBC50912","4622","Present",NA,NA
+"50913","Neopluramycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"neopluramycin",NA,"CC=C(C)C1=CC(=O)C2=C(O1)C3=C(C=C2C)C(=O)C4=C(C3=O)C(=C(C=C4C5CC(C(C(O5)C)O)N(C)C)C6CC(C(C(O6)C)OC(=O)C)(C)N(C)C)O","FGTVZROOHPSJNZ-LDADJPATSA-N",5359061,NA,"PDBC50913","295566","Present",NA,NA
+"50914","Neoquassin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neoquassin",NA,"CC1C=C(C(=O)C2(C1CC3C4(C2C(C(=O)C(C4CC(O3)O)C)O)C)C)OC","ZXEXAUWPQPJYJZ-CRPYTBJPSA-N",6711452,NA,"PDBC50914","627442","Present",NA,NA
+"50915","Neorautane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neorautane",NA,"CC1(CCC2=CC3=C(C=C2O1)OCC4C3OC5=CC6=C(C=C45)OCO6)C","BGWFJLDAZBGWOL-UHFFFAOYSA-N",362033,NA,"PDBC50915","625532","Present",NA,NA
+"50916","Neosarracine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neosarrine",NA,"CC=C(C)C(=O)OC1CCN2C1C(CC2)COC(=O)C(=CC)CO","YMUQRQKYYOWGPN-ZQGGWIFCSA-N",5468383,NA,"PDBC50916","669379","Present",NA,NA
+"50917","Neotenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NEOTENONE",NA,"COC1=CC2=C(C=C1C3COC4=C(C3=O)C=C5C=COC5=C4)OCO2","JZNIBAUSQWDFGE-UHFFFAOYSA-N",73603,NA,"PDBC50917","361413","Present",NA,NA
+"50918","Neothramycin A and neothramycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neothramycin",NA,"COC1=C(C=C2C(=C1)C(=O)N3C(CCC3O)C=N2)O.COC1=C(C=C2C(=C1)C(=O)N3C(CCC3O)C=N2)O","DOZXCNCPKXGGBC-VKKUPAEUSA-N",323607,NA,"PDBC50918","285223","Present",NA,NA
+"50919","Neplanocin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neplanocin A",NA,"C1=C(C(C(C1N2C=NC3=C(N=CN=C32)N)O)O)CO","XUGWUUDOWNZAGW-UHFFFAOYSA-N",330164,NA,"PDBC50919","316458","Present",NA,NA
+"50920","Netropsin (Thia-Nt)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Netropsin (Thia-Nt)",NA,"C1=C(N=C(S1)NC(=O)CCCN)C(=O)NC2=NC(=CS2)C(=O)NCCCN.Br","IWRVZUVONAOJHD-UHFFFAOYSA-N",368886,NA,"PDBC50920","640231","Present",NA,NA
+"50921","Neuro1_000400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro1_000400",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=N2)NN=CC4=CC=C(C=C4)O","GWPLWEFRYKBBIT-OEAKJJBVSA-N",135436246,NA,"PDBC50921","716044","Present",NA,NA
+"50922","Neuro_000063",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000063",NA,"CC1=C2C(=CC3=C1CCN=C3C4=CC=C(C=C4)F)C5=CC=CC=C5N2","CXYGJCRYQFSCFA-UHFFFAOYSA-N",278937,NA,"PDBC50922","128895","Present",NA,NA
+"50923","Neuro_000095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000095",NA,"CC1=C2C=CN=CC2=C(C3=C1N(C4=CC=CC=C43)CCCCCCNCC5=CC=CC=C5)C","ZPNJDNPXOOBYAA-UHFFFAOYSA-N",4303691,NA,"PDBC50923","164017","Present",NA,NA
+"50924","Neuro_000222",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000222",NA,"CC(=O)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)F","PRIOYEZNDKYFSU-UHFFFAOYSA-N",348175,NA,"PDBC50924","407335","Present",NA,NA
+"50925","Neuro_000286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000286",NA,"CC1=NC2=C(NC(C1)C3=C(C=CC=C3Cl)Cl)NC(=S)NC2=O","NGRSGVITJHAZFF-UHFFFAOYSA-N",3004220,NA,"PDBC50925","636984","Present",NA,NA
+"50926","Neuro_000310",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000310",NA,"C1=CC=NC(=C1)C2=CC(=CC(=N2)C3=CC=CC=N3)C4=CC=C(C=C4)OCCCCCCO","VWHWBZIOTDAZAF-UHFFFAOYSA-N",368991,NA,"PDBC50926","640500","Present",NA,NA
+"50927","Neuro_000312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000312",NA,"C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)CCCC(=O)C4C5=C(C(=CC=C5)O)C(=O)C6=C4C=CC=C6O)C=CC=C3O","PLQHDBBLDKDDNY-UHFFFAOYSA-N",369404,NA,"PDBC50927","641174","Present",NA,NA
+"50928","Neuro_000320",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000320",NA,"CCCCCCCCCCCCCCCC(=O)OCC1C2C(C(C(O1)OC)NP(=O)(O2)N(CCCl)CCCl)O","JALYFSGCWRLNPP-UHFFFAOYSA-N",370171,NA,"PDBC50928","642915","Present",NA,NA
+"50929","Neuro_000324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000324",NA,"CCCC[Sn](CCCC)(OC(=O)C1=C(C(=C(C=C1)OC)OC)OC)O[Sn](CCCC)(CCCC)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC","GPLUHLHQOLIMEW-UHFFFAOYSA-L",16683191,NA,"PDBC50929","643847","Present",NA,NA
+"50930","Neuro_000325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000325",NA,"CCCC[Sn](CCCC)(OC(=O)C1=C(C(=CC=C1)F)F)O[Sn](CCCC)(CCCC)OC(=O)C2=C(C(=CC=C2)F)F","FCPQKTGLJQPTDZ-UHFFFAOYSA-L",16683197,NA,"PDBC50930","643853","Present",NA,NA
+"50931","Neuro_000326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000326",NA,"CCCC[Sn](CCCC)(OC(=O)C1=C(C=CC(=C1)F)F)O[Sn](CCCC)(CCCC)OC(=O)C2=C(C=CC(=C2)F)F","ARWUQPBNVOMPFK-UHFFFAOYSA-L",16683199,NA,"PDBC50931","643855","Present",NA,NA
+"50932","Neuro_000327",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000327",NA,"CCC[Sn](CCC)(OC(=O)CC1=CC=C(C=C1)F)O[Sn](CCC)(CCC)OC(=O)CC2=CC=C(C=C2)F","RFPWTNXAJAFLFR-UHFFFAOYSA-L",16683203,NA,"PDBC50932","643859","Present",NA,NA
+"50933","Neuro_000328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000328",NA,"CCC[Sn](CCC)(OC(=O)C1=C(N=CC=C1)SC)O[Sn](CCC)(CCC)OC(=O)C2=C(N=CC=C2)SC","RRTNLYJNODYCSX-UHFFFAOYSA-L",16683206,NA,"PDBC50933","643862","Present",NA,NA
+"50934","Neuro_000344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000344",NA,"CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)[N+](=O)[O-]","SLMMMKSIZVYGER-UHFFFAOYSA-N",438557,NA,"PDBC50934","645817","Present",NA,NA
+"50935","Neuro_000345",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000345",NA,"C1=CC2=C(C=C1Cl)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO","YLYRJTVBWDALAV-UHFFFAOYSA-N",438559,NA,"PDBC50935","645819","Present",NA,NA
+"50936","Neuro_000346",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000346",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C=CC4=C3N2N=N4)NCCNCCO","ZPTZQTRXGWKCLC-UHFFFAOYSA-N",438562,NA,"PDBC50936","645822","Present",NA,NA
+"50937","Neuro_000347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000347",NA,"CCC1=NC2=C3N1C4=CC=CC=C4C(=O)C3=C(C=C2)NCCN(C)C","YUTJBINDHFWKND-UHFFFAOYSA-N",438571,NA,"PDBC50937","645835","Present",NA,NA
+"50938","Neuro_000352",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000352",NA,"COC1=CC2=C(C=C1)NC(=CC2=O)C3=CC=C(C=C3)O","MZFBDYXSPMCMSX-UHFFFAOYSA-N",372266,NA,"PDBC50938","647322","Present",NA,NA
+"50939","Neuro_000367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000367",NA,"COC1=CC(=CC(=C1)C2=CC(=O)C3=CC4=C(C=C3N2)OCO4)OC","DNLQKUBRTBSWQY-UHFFFAOYSA-N",374402,NA,"PDBC50939","652112","Present",NA,NA
+"50940","Neuro_000389",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000389",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC","YHXBZXBIGHSHTP-UHFFFAOYSA-N",380090,NA,"PDBC50940","665488","Present",NA,NA
+"50941","Neuro_000390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000390",NA,"C1C2=C(C(C3=CC4=C(C=C3O2)OCO4)C5=CC6=C(C=C5)OCO6)C(=O)O1","KWSRNFODVVETLY-UHFFFAOYSA-N",380094,NA,"PDBC50941","665492","Present",NA,NA
+"50942","Neuro_000391",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000391",NA,"COC1=CC=CC(=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4","AIQJGIGDRIXKNJ-UHFFFAOYSA-N",380095,NA,"PDBC50942","665493","Present",NA,NA
+"50943","Neuro_000393",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000393",NA,"CC(=O)OC1=C(C=C(C=C1OC)C2C3C(=O)OCC3(OC4=CC5=C(C=C24)OCO5)OC)OC","NCPWTKPCODRISL-UHFFFAOYSA-N",380102,NA,"PDBC50943","665500","Present",NA,NA
+"50944","Neuro_000396",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000396",NA,"CCC1C(C2=CC3=C(C=C2OC1N4CCCC4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","ICBSBTSRZHYVGZ-UHFFFAOYSA-N",380577,NA,"PDBC50944","666227","Present",NA,NA
+"50945","Neuro_000400",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000400",NA,"COC1=CC=CC(=C1)C2=CC(=O)C3=C(N2)N=CC(=C3)Cl","TUQJHHCDZRJOFM-UHFFFAOYSA-N",381135,NA,"PDBC50945","667452","Present",NA,NA
+"50946","Neuro_000405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000405",NA,"CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)NC5=CC=CC=C5","VIOSAMYWANJHLU-UHFFFAOYSA-N",382368,NA,"PDBC50946","669887","Present",NA,NA
+"50947","Neuro_000410",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000410",NA,"CC1C(C2=CC3=C(C=C2OC1NNC(=O)N)OCO3)C4=CC(=C(C(=C4)OC)O)OC","YVEINCOWHHHOCK-UHFFFAOYSA-N",383131,NA,"PDBC50947","671172","Present",NA,NA
+"50948","Neuro_000419",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000419",NA,"C(C([N+](=O)[O-])([N+](=O)[O-])F)N(CC([N+](=O)[O-])([N+](=O)[O-])F)COCN(CC([N+](=O)[O-])([N+](=O)[O-])F)CC([N+](=O)[O-])([N+](=O)[O-])F","QGDGMWWETZZZOC-UHFFFAOYSA-N",388362,NA,"PDBC50948","683257","Present",NA,NA
+"50949","Neuro_000425",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000425",NA,"COC1=CC(=CC(=C1OC)OC)C2C=C(OC3=CC4=C(C=C23)OCO4)C5=CC=CC=C5","KFDCXQCCGHOTLJ-UHFFFAOYSA-N",390049,NA,"PDBC50949","686963","Present",NA,NA
+"50950","Neuro_000427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000427",NA,"CC1(OC2C(OC(C2O1)N3C=NC4=C(N=C(N=C43)C#C[Si](C)(C)C)N)CO[Si](C)(C)C(C)(C)C)C","VKTBGZYQCIYCGE-UHFFFAOYSA-N",390224,NA,"PDBC50950","687496","Present",NA,NA
+"50951","Neuro_000437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000437",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NO)CCl)OC)OC","OYOOJEQADIYXPP-UHFFFAOYSA-N",390671,NA,"PDBC50951","688303","Present",NA,NA
+"50952","Neuro_000442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000442",NA,"CC(C)(C)C1=CC2=C(C=C1)OCC3(COC4=C(CNCCNC2)C=C(C=C4)C(C)(C)C)COC5=C(CNCCNCC6=C(C=CC(=C6)C(C)(C)C)OC3)C=C(C=C5)C(C)(C)C","WEKYOFLAYYZZJF-UHFFFAOYSA-N",391026,NA,"PDBC50952","689449","Present",NA,NA
+"50953","Neuro_000445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000445",NA,"CN(C)CCSC1=NC2=CC=CC=C2C3=C1C=C(C4=CC=CC=C43)OC","ABIVZBOIWVZRAA-UHFFFAOYSA-N",391107,NA,"PDBC50953","689725","Present",NA,NA
+"50954","Neuro_000454",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000454",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)C=CC=C3[N+](=O)[O-])NCCCCCNC4=C5C(=NC6=CC=CC=C64)C=CC=C5[N+](=O)[O-]","NNOSNVDRJWZODO-UHFFFAOYSA-N",391440,NA,"PDBC50954","690635","Present",NA,NA
+"50955","Neuro_000456",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000456",NA,"COC1=CC=CC(=C1)CCNC2=C(C3=NC4=CC=CC=C4N3C5=CC=CC=C52)C#N","NRZNDDWCPDWYAN-UHFFFAOYSA-N",391677,NA,"PDBC50955","691219","Present",NA,NA
+"50956","Neuro_000459",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000459",NA,"C1C(C2=C(N1C(=O)CCCC(=O)N3CC(C4=C3C=C(C=C4)N)CCl)C=C(C=C2)N)CCl","YSHVFLMRNJXNHK-UHFFFAOYSA-N",392378,NA,"PDBC50956","692736","Present",NA,NA
+"50957","Neuro_000462",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000462",NA,"CN(C)CCN1C(=O)C2=C3C(=C(C=C2)NCCNCCO)C(=O)C4=C(N3C1=O)C=CC(=C4)O","XEVGUVJEJMWICA-UHFFFAOYSA-N",392573,NA,"PDBC50957","693120","Present",NA,NA
+"50958","Neuro_000491",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000491",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(CO2)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1","YYCFEJVBMMGRLX-XNEGELNPSA-N",394135,NA,"PDBC50958","697275","Present",NA,NA
+"50959","Neuro_000494",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Neuro_000494",NA,"CSC1=NC2=C(C(N3C4=CC5=C(C=C4N=C3S2)OCCO5)O)C(=N1)Cl","MXLUJTLTXGBJCS-UHFFFAOYSA-N",394384,NA,"PDBC50959","697784","Present",NA,NA
+"50960","Nevirapine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NEVIRAPINE",NA,"CC1=C2C(=NC=C1)N(C3=C(C=CC=N3)C(=O)N2)C4CC4","NQDJXKOVJZTUJA-UHFFFAOYSA-N",4463,NA,"PDBC50960","641530","Present",NA,NA
+"50961","New methylene blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methylene blue nn",NA,"CCNC1=CC2=C(C=C1C)N=C3C=C(C(=[NH+]CC)C=C3S2)C.[Cl-]","SQHOAFZGYFNDQX-UHFFFAOYSA-N",73518,NA,"PDBC50961","9605","Present",NA,NA
+"50962","NiCl2(PPh3)2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NiCl2(PPh3)2",NA,NA,NA,NA,NA,"PDBC50962","625181","Present",NA,NA
+"50963","Nickel meso formyl etioporphyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nickel meso formyl etioporphyrin",NA,"CCC1=C(C2=CC3=NC(=C(C4=C(C(=C([N-]4)C=C5C(=C(C(=N5)C=C1[N-]2)C)CC)C)CC)C=O)C(=C3CC)C)C.[Ni+2]","FHZDKESAVYRBDN-UHFFFAOYSA-M",367720,NA,"PDBC50963","637652","Present",NA,NA
+"50964","Nickel(1+), chloro[[2-hydroxybenzoic acid(2,6-pyridinedi...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nickel(1+), chloro[[2-hydroxybenzoic acid(2,6-pyridinedi...",NA,NA,NA,NA,NA,"PDBC50964","617570","Present",NA,NA
+"50965","Nickel(2+);2-(pyridin-2-ylamino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nickel(2+);2-(pyridin-2-ylamino)benzoate",NA,"C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=N2.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=N2.[Ni+2]","SVHQFTCXZCSQCH-UHFFFAOYSA-L",24202388,NA,"PDBC50965","646293","Present",NA,NA
+"50966","Nickel, [3-azabicyclo[3.2.2]nonane-3-carbothioic acid [1...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nickel, [3-azabicyclo[3.2.2]nonane-3-carbothioic acid [1...",NA,NA,NA,NA,NA,"PDBC50966","338307","Present",NA,NA
+"50967","Nickel, bis[2-(2,2,6,6-tetramethyl-4-piperidinylidene)hy...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nickel, bis[2-(2,2,6,6-tetramethyl-4-piperidinylidene)hy...",NA,NA,NA,NA,NA,"PDBC50967","227147","Present",NA,NA
+"50968","Nicotinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nicota",NA,"C1=CC(=CN=C1)C(=O)N","DFPAKSUCGFBDDF-UHFFFAOYSA-N",936,NA,"PDBC50968","13128","Present",NA,NA
+"50969","Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybenzylidene]hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nicotinic acid, [4-[bis(2-chloroethyl)amino]-2-methoxybe...",NA,"COC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC(=O)C2=CN=CC=C2","BCDGHWXBKFEHFN-XKZIYDEJSA-N",5977454,NA,"PDBC50969","101489","Present",NA,NA
+"50970","Nifurmerone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"metofurone",NA,"C1=C(OC(=C1)[N+](=O)[O-])C(=O)CCl","DQJAAEADFORVGZ-UHFFFAOYSA-N",21753,NA,"PDBC50970","84429","Present",NA,NA
+"50971","Nifurquinazol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nifurquinazole",NA,"C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(O3)[N+](=O)[O-])N(CCO)CCO","AUEOHSUMWXAPBX-UHFFFAOYSA-N",21139,NA,"PDBC50971","220589","Present",NA,NA
+"50972","Nigericin, sodium salt (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nigericin",NA,"CC1CCC(OC1C(C)C(=O)O)CC2CC(C(C3(O2)C(CC(O3)(C)C4CCC(O4)(C)C5C(CC(O5)C6C(CC(C(O6)(CO)O)C)C)C)C)C)OC","DANUORFCFTYTSZ-UHFFFAOYSA-N",4490,NA,"PDBC50972","292567","Present",NA,NA
+"50973","Niguldipine hydrochloride, (+/-)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dexniquldipine HCl",NA,"CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC.Cl","MHOSUIMBPQVOEU-UHFFFAOYSA-N",357904,NA,"PDBC50973","617553","Present",NA,NA
+"50974","Niguldipino",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Niguldipine",NA,NA,"CC1=C(C(C(=C(N1)C)C(=O)OCCCN2CCC(CC2)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC(=CC=C5)[N+](=O)[O-])C(=O)OC","SVJMLYUFVDMUHP-UHFFFAOYSA-N",1236,NA,"PDBC50974",NA,"Absent",NA,NA
+"50975","Nikkomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nikkomycin Z",NA,"CC(C(C1=NC=C(C=C1)O)O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N","WWJFFVUVFNBJTN-UHFFFAOYSA-N",353481,NA,"PDBC50975","601906","Present",NA,NA
+"50976","Nilacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nilacrone",NA,"C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)C(=O)OCC(=O)NC4=CC=C(C=C4)S(=O)(=O)N","YRSBZVVBNPSBBM-UHFFFAOYSA-N",364456,NA,"PDBC50976","630717","Present",NA,NA
+"50977","Nile Blue 2B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nile blue bb",NA,"CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NCC5=CC=CC=C5)OC2=C1)CC.[Cl-]","FAJDWNKDRFAWLS-UHFFFAOYSA-N",20520,NA,"PDBC50977","9612","Present",NA,NA
+"50978","Nile Blue chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nile blue",NA,"CC[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)N)OC2=C1)CC.[Cl-]","SHXOKQKTZJXHHR-UHFFFAOYSA-N",16938,NA,"PDBC50978","146184","Present",NA,NA
+"50979","Nimbinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NIMBINIC ACID",NA,"CC1=C2C(CC1C3=COC=C3)OC4C2(C(C5(C(C4O)C(C=CC5=O)(C)C(=O)OC)C)CC(=O)O)C.[Na+]","GLAUEFPTUIGUTE-UHFFFAOYSA-N",54606111,NA,"PDBC50979","92191","Present",NA,NA
+"50980","Ningetinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ningetinib",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)OC4=C5C=CC(=CC5=NC=C4)OCC(C)(C)O)F","VQYYQSZNRVQLIS-UHFFFAOYSA-N",60165029,NA,"PDBC50980","781652","Present",NA,NA
+"50981","Nipecotamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nipecotamide",NA,"C1CC(CNC1)C(=O)N","BVOCPVIXARZNQN-UHFFFAOYSA-N",92980,NA,"PDBC50981","523303","Present",NA,NA
+"50982","Nisin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nisin",NA,"CCC(C)C1C(=O)NC(=C)C(=O)NC(C(=O)NC(CSCC(C(=O)N1)NC(=O)C(=CC)NC(=O)C(C(C)CC)N)C(=O)NC2C(SCC(NC(=O)CNC(=O)C3CCCN3C2=O)C(=O)NC(CCCCN)C(=O)NC4C(SCC(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC4=O)C)CC(C)C)CCSC)C(=O)NC(CC(=O)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC5C(SCC6C(=O)NC(C(=O)NC(CSC(C(C(=O)N6)NC(=O)C(NC5=O)C)C)C(=O)NC(CO)C(=O)NC(C(C)CC)C(=O)NC(CC7=CNC=N7)C(=O)NC(C(C)C)C(=O)NC(=C)C(=O)NC(CCCCN)C(=O)O)CC8=CNC=N8)C)C)C)CC(C)C","NVNLLIYOARQCIX-JADBQDFBSA-N",16130001,NA,"PDBC50982","112903","Present",NA,NA
+"50983","Nisoldipine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nisoldipine (usan)",NA,"CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC","VKQFCGNPDRICFG-UHFFFAOYSA-N",4499,NA,"PDBC50983","759106","Present",NA,NA
+"50984","Nitidine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitidine, chloride (8ci)",NA,"C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC5=C(C=C4C=C3)OCO5)OC)OC.[Cl-]","QLDAACVSUMUMOR-UHFFFAOYSA-M",25659,NA,"PDBC50984","146397","Present",NA,NA
+"50985","Nitracrine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ledacrine",NA,"CN(C)CCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-].Cl","BKBNOPIWNDASON-UHFFFAOYSA-N",54607240,NA,"PDBC50985","247561","Present",NA,NA
+"50986","Nitralamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitralamine hydrochloride(usan)",NA,"C1=CC=C(C(=C1)C(C[N+](=O)[O-])SCCN)Cl.Cl","GDTAMXIEGHVJQA-UHFFFAOYSA-N",23724975,NA,"PDBC50986","357114","Present",NA,NA
+"50987","Nitratobis(pyridinethiosemicarbazone-S,N1)bismuth(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nitratobis(pyridinethiosemicarbazone-S,N1)bismuth(III)",NA,NA,NA,NA,NA,"PDBC50987","638834","Present",NA,NA
+"50988","Nitric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"praseodymium nitrate",NA,"[N+](=O)(O)[O-]","GRYLNZFGIOXLOG-UHFFFAOYSA-N",944,NA,"PDBC50988","177677","Present",NA,NA
+"50989","Nitric acid;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nitric acid;1-N,3-N,5-N-tris(pyridin-2-ylmethyl)cyclohexane-1,3,5-triamine",NA,"C1C(CC(CC1NCC2=CC=CC=N2)NCC3=CC=CC=N3)NCC4=CC=CC=N4.[N+](=O)(O)[O-]","UYIBSTMMBLWWPG-UHFFFAOYSA-N",399431,NA,"PDBC50989","710269","Present",NA,NA
+"50990","Nitro MBF-SO2-Cl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitro mbf-so2-cl",NA,"COC1=CC2=C(C=C1)OC(=C2)S(=O)(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl","FYERFCKDMKWREM-UHFFFAOYSA-N",393956,NA,"PDBC50990","696992","Present",NA,NA
+"50991","Nitro MMI-Cl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitro mmi-cl",NA,"COC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl","ZHGAQKHGMIEBNJ-UHFFFAOYSA-N",393957,NA,"PDBC50991","696993","Present",NA,NA
+"50992","Nitrobenzooxepenearylmethylene (F)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitrobenzooxepenearylmethylene (F)",NA,"C1COC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=CC3=CC=C(C=C3)F","UFVWQOMBDNGMOT-FMIVXFBMSA-N",24205148,NA,"PDBC50992","734468","Present",NA,NA
+"50993","Nitrodan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC44646///NSC67817",NA,"CN1C(=O)C(SC1=S)N=NC2=CC=C(C=C2)[N+](=O)[O-]","HHLAJTWCKSBJFA-UHFFFAOYSA-N",13752,NA,"PDBC50993","44646///67817","Present",NA,NA
+"50994","Nitromifene citrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nitromifene citrate",NA,"COC1=CC=C(C=C1)C(=C(C2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OCCN4CCCC4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","LHAPNDAERSFWSC-JTHROIFXSA-N",5381092,NA,"PDBC50994","110407","Present",NA,NA
+"50995","Nitron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nitron",NA,"C1=CC=C(C=C1)N2C3N(C2=NN3C4=CC=CC=C4)C5=CC=CC=C5","RBLFMNNBMUXHHR-UHFFFAOYSA-N",221197,NA,"PDBC50995","5038","Present",NA,NA
+"50996","Nitrophenyl-azatoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitrophenyl-azatoxin",NA,"COC1=CC(=CC(=C1O)OC)C2C3=C(C(C4N2C(=O)OC4)NC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=CC=C6N3","MZISFSFXJZIGGY-AXTURWKHSA-N",381589,NA,"PDBC50996","668380","Present",NA,NA
+"50997","Nitroso toluenesulphonylguanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nitroso toluenesulphonylguanidine",NA,"CC1=CC=C(C=C1)S(=O)(=O)N=C(N)N(C)N=O","DZZBAEAONUJMBD-UHFFFAOYSA-N",9571511,NA,"PDBC50997","674293","Present",NA,NA
+"50998","Nitrotolazoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nitrotolazoline",NA,"C1CN(C(N1)CC2=CC=CC=C2)N=O","LESHZKDIUQJHEO-UHFFFAOYSA-N",378076,NA,"PDBC50998","659803","Present",NA,NA
+"50999","Nitroxoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"noxin///NITROXOLINE",NA,"C1=CC2=C(C=CC(=C2N=C1)O)[N+](=O)[O-]","RJIWZDNTCBHXAL-UHFFFAOYSA-N",19910,NA,"PDBC50999","74947///760393","Present",NA,NA
+"51000","Nogalamycin N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nogalamycin-N-oxide",NA,"CC1C(C(C(C(O1)OC2CC(C(C3=CC4=C(C=C23)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)[N+](C)(C)[O-])O)O)C(=O)OC)(C)O)OC)(C)OC)OC","JTRPMLGIWQJPIB-UHFFFAOYSA-N",272259,NA,"PDBC51000","116555","Present",NA,NA
+"51001","Nogalarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nogalarol",NA,"CC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)O)O","UEAXJNKEWITCAW-UHFFFAOYSA-N",122727,NA,"PDBC51001","86005","Present",NA,NA
+"51002","Nogalomycin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nogamycin",NA,"CC1C(C(C(C(O1)OC2CC(CC3=CC4=C(C(=C23)O)C(=O)C5=C(C=C6C(=C5C4=O)OC7C(C(C(C6(O7)C)O)N(C)C)O)O)(C)O)OC)(C)OC)OC","NNEGMXMRXKXKMQ-UHFFFAOYSA-N",319846,NA,"PDBC51002","265450","Present",NA,NA
+"51003","Nogarene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nogarene",NA,"CC1=CC2=CC3=C(C(=C2C=C1)O)C(=O)C4=C(C=C5C(=C4C3=O)OC6C(C(C(C5(O6)C)O)N(C)C)O)O","HQNMNCHWQYMBPJ-UHFFFAOYSA-N",3751252,NA,"PDBC51003","269149","Present",NA,NA
+"51004","Nonactin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nonactin",NA,"CC1CC2CCC(O2)C(C(=O)OC(CC3CCC(O3)C(C(=O)OC(CC4CCC(O4)C(C(=O)OC(CC5CCC(O5)C(C(=O)O1)C)C)C)C)C)C)C","RMIXHJPMNBXMBU-QIIXEHPYSA-N",72519,NA,"PDBC51004","52141","Present",NA,NA
+"51005","Nonacyclo[13.6.1.14,11.16,9.117,20.02,14.03,12.05,10.016,21]pentacosa-7,18-dien-13-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nonacyclo[13.6.1.14,11.16,9.117,20.02,14.03,12.05,10.016,21]pentacosa-7,18-dien-13-one",NA,"C1C2C=CC1C3C2C4CC3C5C4C6C7CC(C6C5=O)C8C7C9CC8C=C9","NCVGHTNYYDKVAM-UHFFFAOYSA-N",370802,NA,"PDBC51005","644324","Present",NA,NA
+"51006","Nonafluoro-1-butanesulfonic acid 2-methoxy-5-formylphenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nonafluoro-1-butanesulfonic acid 2-methoxy-5-formylphenyl ester",NA,"COC1=C(C=C(C=C1)C=O)OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F","VJBUQKJYJNVDGG-UHFFFAOYSA-N",403537,NA,"PDBC51006","718553","Present",NA,NA
+"51007","Nonyl 5-chloropyrazine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-pyrazine-2-carboxylic acid nonyl ester",NA,"CCCCCCCCCOC(=O)C1=CN=C(C=N1)Cl","FWCNZZHMKBQNLO-UHFFFAOYSA-N",406082,NA,"PDBC51007","724000","Present",NA,NA
+"51008","Nootkatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nootkatin",NA,"CC(C)C1=CC(=O)C(=CC=C1CC=C(C)C)O","MNMNTZYOZZLKSV-UHFFFAOYSA-N",238797,NA,"PDBC51008","43339","Present",NA,NA
+"51009","Nor-Coralyne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CORALYNE, NOR",NA,"COC1=CC2=CC3=[N+](C=CC4=CC(=C(C=C43)OC)OC)C=C2C=C1OC.[Cl-]","DYFJAIXBMHQFNN-UHFFFAOYSA-M",5458376,NA,"PDBC51009","169688","Present",NA,NA
+"51010","Noracronycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"noracronine",NA,"CC1(C=CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O)C","CBXBWBNEFPNSDO-UHFFFAOYSA-N",5320199,NA,"PDBC51010","103005","Present",NA,NA
+"51011","Norcantharidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC148536",NA,"C1CC2C3C(C1O2)C(=O)OC3=O","JAABVEXCGCXWRR-UHFFFAOYSA-N",93004,NA,"PDBC51011","148536","Present",NA,NA
+"51012","Norcassamide, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Norcassamide, hydrochloride",NA,"CC1C2C(CCC1=CC(=O)OCCNC)C3(CCCC(C3CC2O)(C)C(=O)OC)C","COAPCKUZMKOWBC-SSZFMOIBSA-N",6385691,NA,"PDBC51012","179180","Present",NA,NA
+"51013","Nordracorubin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nordracorubin",NA,"COC1=C2CCC(OC2=C3C(=C1)OC4=CC(=O)C=C5C4=C3C=C(O5)C6=CC=CC=C6)C7=CC=CC=C7","ZKOTWKIEVACBFM-UHFFFAOYSA-N",341882,NA,"PDBC51013","376248","Present",NA,NA
+"51014","Norfenfluramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"norfenfloramine",NA,"CC(CC1=CC(=CC=C1)C(F)(F)F)N","MLBHFBKZUPLWBD-UHFFFAOYSA-N",15897,NA,"PDBC51014","43036","Present",NA,NA
+"51015","Norhomohalichondrin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"norhomohalichondrin B",NA,"CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)OC9C(C3C(CC4C(O3)CC3(O4)CC4C(O3)C(CC3(O4)CC(C4C(O3)CC3C(O4)CC(O3)CO)C)C)OC9CC(C1=C)O2)C","DNAWQFLEGPKCPB-RJJJCZGFSA-N",395619,NA,"PDBC51015","700368","Present",NA,NA
+"51016","Noribogaine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Noribogaine hydrochloride",NA,"CCC1CC2CC3C1N(C2)CCC4=C3NC5=C4C=C(C=C5)O.Cl","BFLJLOKFWZLUTR-STGWVFMRSA-N",321672,NA,"PDBC51016","274275","Present",NA,NA
+"51017","Northalibrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Northalibrine",NA,"CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC4=CC=C(C=C4)CC5C6=CC(=C(C=C6CCN5)OC)O)OC)OC","RNPHQDBXJJRLDE-CONSDPRKSA-N",319848,NA,"PDBC51017","265454","Present",NA,NA
+"51018","Nortriptyline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pamelor",NA,"CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31.Cl","SHAYBENGXDALFF-UHFFFAOYSA-N",441358,NA,"PDBC51018","169453","Present",NA,NA
+"51019","Norviburtinal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Norviburtinal",NA,"C1=COC=C2C1=CC=C2C=O","VRMFZTBAWYVGGB-UHFFFAOYSA-N",390664,NA,"PDBC51019","688276","Present",NA,NA
+"51020","Nostoclide I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nostoclide I",NA,"CC(C)C1=C(C(=O)OC1=CC2=CC(=C(C(=C2)Cl)O)Cl)CC3=CC=CC=C3","OLAZDNWZIHSQMW-WQRHYEAKSA-N",5468142,NA,"PDBC51020","665168","Present",NA,NA
+"51021","Nostoclide II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nostoclide II",NA,"CC(C)C1=C(C(=O)OC1=CC2=CC(=C(C=C2)O)Cl)CC3=CC=CC=C3","FJCMKDBQNWQPBT-UNOMPAQXSA-N",5468143,NA,"PDBC51021","665169","Present",NA,NA
+"51022","Nostocyclamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nostocyclamide",NA,"CC1C2=NC(=C(O2)C)C(=O)NCC3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C(=O)N1)C(C)C","CRISVSOALHAQCE-LKFCYVNXSA-N",393060,NA,"PDBC51022","694347","Present",NA,NA
+"51023","Nuapapuanoic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nuapapuanoic acid methyl ester",NA,"CC1=C(C(CCC1)(C)C)CCC2(CCC(OO2)C(C)C(=O)OC)C","MRBQQESZUMBYBU-SYNHAJSKSA-N",11969601,NA,"PDBC51023","602305","Present",NA,NA
+"51024","Nucleocidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nucleocidin",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)(COS(=O)(=O)N)F)O)O)N","LTBCQBSAWAZBDF-UHFFFAOYSA-N",351320,NA,"PDBC51024","521007","Present",NA,NA
+"51025","Nucleoprotamine compound",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nucleoprotamine compound",NA,NA,NA,NA,NA,"PDBC51025","644023","Present",NA,NA
+"51026","Numidargistat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CB-1158",NA,"B(CCCC1CN(CC1(C(=O)O)N)C(=O)C(C)N)(O)O","ZZJLMZYUGLJBSO-LAEOZQHASA-N",131801114,NA,"PDBC51026","803247","Present",NA,NA
+"51027","Nutlin-3A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+)-Nutlin-3",NA,"CC(C)OC1=C(C=CC(=C1)OC)C2=NC(C(N2C(=O)N3CCNC(=O)C3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","BDUHCSBCVGXTJM-WUFINQPMSA-N",11433190,NA,"PDBC51027","763443","Present",NA,NA
+"51028","Nvs-cecr2-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-cyclopropyl-2-(propylsulfonyl)-6-(1-(2,2,6,6-tetrameth...",NA,"CCCS(=O)(=O)C1=NC(=CC(=N1)NC2CC2)C3=CC4=C(C=C3)N(C=C4)C5CC(NC(C5)(C)C)(C)C","XVECNLUKQDKOST-UHFFFAOYSA-N",117072550,NA,"PDBC51028","786082","Present",NA,NA
+"51029","Nybomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Nybomycin acetate///Nybomycin",NA,"CC1=CC(=O)N2COC3=C2C1=CC4=C3N(C(=O)C=C4CO)C","HKMUGCUFXWTNSP-UHFFFAOYSA-N",169159,NA,"PDBC51029","157004///613948","Present",NA,NA
+"51030","Nybomycin deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nybomycin deriv",NA,"CC1=CC(=O)N2COC3=C2C1=CC4=C3N(C(=O)C=C4CN(C)C)C.Cl","FALWMIAEJSRSFM-UHFFFAOYSA-N",24197834,NA,"PDBC51030","275428","Present",NA,NA
+"51031","N~1~,N~1~,N~2~,N~2~-Tetraisopropyl-1,2-cubanedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~,N~2~,N~2~-Tetraisopropyl-1,2-cubanedicarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C4C3C25C(=O)N(C(C)C)C(C)C","GJEVPNNDIBPZIY-UHFFFAOYSA-N",369213,NA,"PDBC51031","640919","Present",NA,NA
+"51032","N~1~,N~1~,N~3~,N~3~-Tetraisopropylisophthalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~,N~3~,N~3~-Tetraisopropylisophthalamide",NA,"CC(C)N(C(C)C)C(=O)C1=CC(=CC=C1)C(=O)N(C(C)C)C(C)C","PPRZNVLHHRKCMV-UHFFFAOYSA-N",369218,NA,"PDBC51032","640924","Present",NA,NA
+"51033","N~1~,N~1~,N~3~,N~3~-Tetrakis(2-(1H-pyrazol-1-yl)ethyl)-1,3-benzenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~,N~3~,N~3~-Tetrakis(2-(1H-pyrazol-1-yl)ethyl)-1,3-benzenediamine",NA,"C1=CC(=CC(=C1)N(CCN2C=CC=N2)CCN3C=CC=N3)N(CCN4C=CC=N4)CCN5C=CC=N5","QOTFNRNDKQTOQT-UHFFFAOYSA-N",361756,NA,"PDBC51033","625022","Present",NA,NA
+"51034","N~1~,N~1~,N~3~,N~3~-Tetrakis(2-cyanoethyl)isophthalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~,N~3~,N~3~-Tetrakis(2-cyanoethyl)isophthalamide",NA,"C1=CC(=CC(=C1)C(=O)N(CCC#N)CCC#N)C(=O)N(CCC#N)CCC#N","FCHYWKNRWUALHQ-UHFFFAOYSA-N",361752,NA,"PDBC51034","625018","Present",NA,NA
+"51035","N~1~,N~1~,N~4~-Trimethyl-N~4~-(2-(methylamino)-2-oxoethyl)succinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~,N~4~-Trimethyl-N~4~-(2-(methylamino)-2-oxoethyl)succinamide",NA,"CNC(=O)CN(C)C(=O)CCC(=O)N(C)C","OESABNWIXLAAPF-UHFFFAOYSA-N",391824,NA,"PDBC51035","691411","Present",NA,NA
+"51036","N~1~,N~1~,N~6~-Trimethyl-N~6~-(4-(methylamino)-4-oxobutyl)hexanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~,N~6~-Trimethyl-N~6~-(4-(methylamino)-4-oxobutyl)hexanediamide",NA,"CNC(=O)CCCN(C)C(=O)CCCCC(=O)N(C)C","JVEPEEDYFAEVTF-UHFFFAOYSA-N",391825,NA,"PDBC51036","691412","Present",NA,NA
+"51037","N~1~,N~1~-Dibenzyl-N~1~,N~1~-dimethyl-1,1-cyclopropanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~-Dibenzyl-N~1~,N~1~-dimethyl-1,1-cyclopropanediamine",NA,"CN(CC1=CC=CC=C1)C2(CC2)N(C)CC3=CC=CC=C3","SSNFBXJKNDHNCY-UHFFFAOYSA-N",362788,NA,"PDBC51037","627065","Present",NA,NA
+"51038","N~1~,N~1~-Diisopropyl-1,4-cubanedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~-Diisopropyl-1,4-cubanedicarboxamide",NA,"CC(C)N(C(C)C)C(=O)C12C3C4C1C5C2C3C45C(=O)N","UGUUKHGGWPLXIO-UHFFFAOYSA-N",369202,NA,"PDBC51038","640908","Present",NA,NA
+"51039","N~1~,N~1~-Dimethyl-N~4~-(2-(methylamino)-2-oxoethyl)succinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~-Dimethyl-N~4~-(2-(methylamino)-2-oxoethyl)succinamide",NA,"CNC(=O)CNC(=O)CCC(=O)N(C)C","AUMNXVYYRPTIGD-UHFFFAOYSA-N",391816,NA,"PDBC51039","691403","Present",NA,NA
+"51040","N~1~,N~1~-Dimethyl-N~4~-(3-(methylamino)-3-oxopropyl)succinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~-Dimethyl-N~4~-(3-(methylamino)-3-oxopropyl)succinamide",NA,"CNC(=O)CCNC(=O)CCC(=O)N(C)C","ORSCCBXANBRZNV-UHFFFAOYSA-N",391817,NA,"PDBC51040","691404","Present",NA,NA
+"51041","N~1~,N~1~-Dimethyl-N~5~-(4-(methylamino)-4-oxobutyl)pentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~-Dimethyl-N~5~-(4-(methylamino)-4-oxobutyl)pentanediamide",NA,"CNC(=O)CCCNC(=O)CCCC(=O)N(C)C","HHAGPWINQIMXSX-UHFFFAOYSA-N",391818,NA,"PDBC51041","691405","Present",NA,NA
+"51042","N~1~,N~1~-Dimethyl-N~6~-(4-(methylamino)-4-oxobutyl)hexanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~1~-Dimethyl-N~6~-(4-(methylamino)-4-oxobutyl)hexanediamide",NA,"CNC(=O)CCCNC(=O)CCCCC(=O)N(C)C","DSTOYDNHOQQYPZ-UHFFFAOYSA-N",391819,NA,"PDBC51042","691406","Present",NA,NA
+"51043","N~1~,N~2~-Bis(acetyloxy)ethanediimidoyl dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK367082",NA,"CC(=O)ON=C(C(=NOC(=O)C)Cl)Cl","KIGDWMWQZPZZOW-OZDSWYPASA-N",5363739,NA,"PDBC51043","622662","Present",NA,NA
+"51044","N~1~,N~3~,N~5~-Tris(cyano(4-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)phenyl)methyl)-N~1~,N~3~,N~5~-tris(2-phenylethyl)-1,3,5-benzenetricarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-N,3-N,5-N-Tris[cyano-[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methyl]-1-N,3-N,5-N-tris(2-phenylethyl)benzene-1,3,5-tricarboxamide",NA,"COCCOCCOCCOC1=CC=C(C=C1)C(C#N)N(CCC2=CC=CC=C2)C(=O)C3=CC(=CC(=C3)C(=O)N(CCC4=CC=CC=C4)C(C#N)C5=CC=C(C=C5)OCCOCCOCCOC)C(=O)N(CCC6=CC=CC=C6)C(C#N)C7=CC=C(C=C7)OCCOCCOCCOC","FIPLTVYDTMEZEG-UHFFFAOYSA-N",384288,NA,"PDBC51044","673905","Present",NA,NA
+"51045","N~1~,N~3~-Diphenyl-2-thioxo-1,3-imidazolidinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~3~-Diphenyl-2-thioxo-1,3-imidazolidinedicarboxamide",NA,"C1CN(C(=S)N1C(=O)NC2=CC=CC=C2)C(=O)NC3=CC=CC=C3","JBLAPKBPRXDCIF-UHFFFAOYSA-N",396957,NA,"PDBC51045","704177","Present",NA,NA
+"51046","N~1~,N~4~,N~7~-Trimethyl-1,4,7-triazonane-1,4,7-tricarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~4~,N~7~-Trimethyl-1,4,7-triazonane-1,4,7-tricarboxamide",NA,"CNC(=O)N1CCN(CCN(CC1)C(=O)NC)C(=O)NC","HLGHYUOELXTGQD-UHFFFAOYSA-N",393249,NA,"PDBC51046","694876","Present",NA,NA
+"51047","N~1~,N~4~-Bis(2-bromo-2-propenyl)succinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~4~-Bis(2-bromo-2-propenyl)succinamide",NA,"C=C(CNC(=O)CCC(=O)NCC(=C)Br)Br","FDJHVJCHHQELFM-UHFFFAOYSA-N",379674,NA,"PDBC51047","664554","Present",NA,NA
+"51048","N~1~,N~4~-Bis(3-((hydroxy(dimethyl)-lambda~5~-azanyl)methyl)phenyl)terephthalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~4~-Bis(3-((hydroxy(dimethyl)-lambda~5~-azanyl)methyl)phenyl)terephthalamide",NA,"C[N+](C)(CC1=CC(=CC=C1)NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)C[N+](C)(C)[O-])[O-]","AFAQCCNXQQKUEK-UHFFFAOYSA-N",382450,NA,"PDBC51048","670015","Present",NA,NA
+"51049","N~1~,N~4~-Bis(cyano(phenyl)methyl)-N~1~,N~4~-bis(2-phenylethyl)terephthalamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~4~-Bis(cyano(phenyl)methyl)-N~1~,N~4~-bis(2-phenylethyl)terephthalamide",NA,"C1=CC=C(C=C1)CCN(C(C#N)C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)C(=O)N(CCC4=CC=CC=C4)C(C#N)C5=CC=CC=C5","LVTPFCJIMJDLGB-UHFFFAOYSA-N",387722,NA,"PDBC51049","681751","Present",NA,NA
+"51050","N~1~,N~4~-Di(tert-butyl)-1,4-cubanedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~4~-Di(tert-butyl)-1,4-cubanedicarboxamide",NA,"CC(C)(C)NC(=O)C12C3C4C1C5C2C3C45C(=O)NC(C)(C)C","JRVSQBQQVQMPMO-UHFFFAOYSA-N",386907,NA,"PDBC51050","679807","Present",NA,NA
+"51051","N~1~,N~4~-Di(tert-butyl)-N~1~,N~4~-dimethyl-1,4-cubanedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~4~-Di(tert-butyl)-N~1~,N~4~-dimethyl-1,4-cubanedicarboxamide",NA,"CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C(=O)N(C)C(C)(C)C","GWXNNJDKFDIEOX-UHFFFAOYSA-N",369193,NA,"PDBC51051","640899","Present",NA,NA
+"51052","N~1~,N~5~-Bis(((4-methylphenyl)sulfonyl)methyl)pentanedithioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~,N~5~-Bis(((4-methylphenyl)sulfonyl)methyl)pentanedithioamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)CNC(=S)CCCC(=S)NCS(=O)(=O)C2=CC=C(C=C2)C","VIZWVIWQRDGWCR-UHFFFAOYSA-N",3004065,NA,"PDBC51052","625227","Present",NA,NA
+"51053","N~1~-((2,2-Dimethyl-1,3-dioxolan-4-yl)methyl)-N~1~,N~2~,N~2~-trimethyl-1,2-ethanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-((2,2-Dimethyl-1,3-dioxolan-4-yl)methyl)-N~1~,N~2~,N~2~-trimethyl-1,2-ethanediamine",NA,"CC1(OCC(O1)CN(C)CCN(C)C)C","WYBKLKUHXGIVQE-UHFFFAOYSA-N",361938,NA,"PDBC51053","625422","Present",NA,NA
+"51054","N~1~-((Benzoylamino)methyl)-2-methyl-N~3~-phenylmalonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-((Benzoylamino)methyl)-2-methyl-N~3~-phenylmalonamide",NA,"CC(C(=O)NCNC(=O)C1=CC=CC=C1)C(=O)NC2=CC=CC=C2","OWHKWSDQTKMLLS-UHFFFAOYSA-N",387038,NA,"PDBC51054","680358","Present",NA,NA
+"51055","N~1~-((Benzoylamino)methyl)-N~3~-benzyl-2-methylmalonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-((Benzoylamino)methyl)-N~3~-benzyl-2-methylmalonamide",NA,"CC(C(=O)NCC1=CC=CC=C1)C(=O)NCNC(=O)C2=CC=CC=C2","FRBAOHZRIIPSGW-UHFFFAOYSA-N",387039,NA,"PDBC51055","680359","Present",NA,NA
+"51056","N~1~-(1-(Benzoylamino)ethyl)-2-methyl-N~3~-phenylmalonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(1-(Benzoylamino)ethyl)-2-methyl-N~3~-phenylmalonamide",NA,"CC(C(=O)NC1=CC=CC=C1)C(=O)NC(C)NC(=O)C2=CC=CC=C2","XYKCQPPBYPGXBC-UHFFFAOYSA-N",387031,NA,"PDBC51056","680351","Present",NA,NA
+"51057","N~1~-(2,3-Bis(hexadecyloxy)propyl)-N~1~,N~2~,N~2~-trimethyl-1,2-ethanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(2,3-Bis(hexadecyloxy)propyl)-N~1~,N~2~,N~2~-trimethyl-1,2-ethanediamine",NA,"CCCCCCCCCCCCCCCCOCC(CN(C)CCN(C)C)OCCCCCCCCCCCCCCCC","AVNACAYMPJTAAR-UHFFFAOYSA-N",361954,NA,"PDBC51057","625437","Present",NA,NA
+"51058","N~1~-(2,4-Dimethoxyphenyl)-N~2~-hydroxyethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(2,4-Dimethoxyphenyl)-N~2~-hydroxyethanediamide",NA,"COC1=CC(=C(C=C1)NC(=O)C(=O)NO)OC","BGLNFZFSWSKTGA-UHFFFAOYSA-N",369235,NA,"PDBC51058","640963","Present",NA,NA
+"51059","N~1~-(2,5-Dichlorophenyl)-N~2~-hydroxyethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(2,5-Dichlorophenyl)-N~2~-hydroxyethanediamide",NA,"C1=CC(=C(C=C1Cl)NC(=O)C(=O)NO)Cl","IWUWLVFWWFTOAC-UHFFFAOYSA-N",369232,NA,"PDBC51059","640960","Present",NA,NA
+"51060","N~1~-(2-(Aminocarbonyl)phenyl)-N~2~-(5-imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(5-amino-1H-1,2,4-triazol-3-yl)-N2-(2-carbamoylphenyl...",NA,"C1=CC=C(C(=C1)C(=O)N)NC(=O)C(=O)NC2=NNC(=N2)N","GJECZWIUEFUNOS-UHFFFAOYSA-N",369821,NA,"PDBC51060","642016","Present",NA,NA
+"51061","N~1~-(2-Amino-1-methyl-2-oxoethyl)-2-methyl-N~3~-(4-(trifluoromethyl)benzyl)malonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(2-Amino-1-methyl-2-oxoethyl)-2-methyl-N~3~-(4-(trifluoromethyl)benzyl)malonamide",NA,"CC(C(=O)NCC1=CC=C(C=C1)C(F)(F)F)C(=O)NC(C)C(=O)N","PWQDVQQFBWUDTL-UHFFFAOYSA-N",387035,NA,"PDBC51061","680355","Present",NA,NA
+"51062","N~1~-(2-Amino-1-methyl-2-oxoethyl)-2-methyl-N~3~-(4-(trifluoromethyl)phenyl)malonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(2-Amino-1-methyl-2-oxoethyl)-2-methyl-N~3~-(4-(trifluoromethyl)phenyl)malonamide",NA,"CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)C(=O)NC(C)C(=O)N","SKDIJEZBZPZEFI-UHFFFAOYSA-N",387034,NA,"PDBC51062","680354","Present",NA,NA
+"51063","N~1~-(2-Cyano-4-(hydroxy(oxido)amino)phenyl)-N~2~-(5-imino-2,5-dihydro-1H-1,2,4-triazol-3-yl)ethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N1-(5-amino-1H-1,2,4-triazol-3-yl)-N2-(2-cyano-4-nitroph...",NA,"C1=CC(=C(C=C1[N+](=O)[O-])C#N)NC(=O)C(=O)NC2=NNC(=N2)N","GWESTDOSUVAOFA-UHFFFAOYSA-N",3768579,NA,"PDBC51063","641244","Present",NA,NA
+"51064","N~1~-(3-(2-(Hydroxy(oxido)amino)-1H-imidazol-1-yl)propyl)-N~4~-(2-(5-(hydroxy(oxido)amino)-2-methyl-1H-imidazol-1-yl)ethyl)succinamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3(2-Nitroimidazolyl)-propyl]-N'-[2-(2-methyl-5-nitroi...",NA,"CC1=NC=C(N1CCNC(=O)CCC(=O)NCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","AXRHRVXODICVJX-UHFFFAOYSA-N",376097,NA,"PDBC51064","656580","Present",NA,NA
+"51065","N~1~-(4-(2,3-Dihydro[1,3]thiazolo[2,3-a]isoindol-5-yl)-6-fluoro-1,3,5-triazin-2-yl)-1,4-benzenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-[4-(2,3-Dihydro-[1,3]thiazolo[2,3-a]isoindol-5-yl)-6-fluoro-1,3,5-triazin-2-yl]benzene-1,4-diamine",NA,"C1CSC2=C3C=CC=CC3=C(N21)C4=NC(=NC(=N4)F)NC5=CC=C(C=C5)N","XVJJTHWRHWWTBX-UHFFFAOYSA-N",373232,NA,"PDBC51065","649239","Present",NA,NA
+"51066","N~1~-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-N~2~-hydroxyethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(4-Chloro-2-(hydroxy(oxido)amino)phenyl)-N~2~-hydroxyethanediamide",NA,"C1=CC(=C(C=C1Cl)[N+](=O)[O-])NC(=O)C(=O)NO","NXVWNFGCZPKSAC-UHFFFAOYSA-N",5196535,NA,"PDBC51066","640962","Present",NA,NA
+"51067","N~1~-(4-Ethoxyphenyl)-N~2~-hydroxyethanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(4-Ethoxyphenyl)-N~2~-hydroxyethanediamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C(=O)NO","GOLQFRYFMONRQE-UHFFFAOYSA-N",369231,NA,"PDBC51067","640959","Present",NA,NA
+"51068","N~1~-(4-Fluoro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)-1,4-benzenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(4-Fluoro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)-1,4-benzenediamine",NA,"CN1C=C2C=CC=CC2=C1C3=NC(=NC(=N3)F)NC4=CC=C(C=C4)N","PLEMHYBSIBNSNB-UHFFFAOYSA-N",373231,NA,"PDBC51068","649238","Present",NA,NA
+"51069","N~1~-(6-Chloro-2-methoxy-9-acridinyl)-N~3~,N~3~-bis(3,4,5-trimethoxybenzyl)-1,3-propanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(6-Chloro-2-methoxy-9-acridinyl)-N~3~,N~3~-bis(3,4,5-trimethoxybenzyl)-1,3-propanediamine",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CC4=CC(=C(C(=C4)OC)OC)OC)CC5=CC(=C(C(=C5)OC)OC)OC","QWYQSFYCOBJJAM-UHFFFAOYSA-N",383383,NA,"PDBC51069","671554","Present",NA,NA
+"51070","N~1~-(6-Chloro-2-methoxyacridin-9-yl)-N~4~,N~4~-diethyl-2-phenylbutane-1,4-diamine--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(6-Chloro-2-methoxyacridin-9-yl)-N',N'-diethyl-2-phenylbutane-1,4-diamine;hydrochloride",NA,"CCN(CC)CCC(CNC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC)C4=CC=CC=C4.Cl","MBBPMQFSFGKJIV-UHFFFAOYSA-N",24181528,NA,"PDBC51070","9688","Present",NA,NA
+"51071","N~1~-(Tert-Butyl)-N~1~-methyl-1,4-cubanedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-(Tert-Butyl)-N~1~-methyl-1,4-cubanedicarboxamide",NA,"CC(C)(C)N(C)C(=O)C12C3C4C1C5C2C3C45C(=O)N","GUJRJBHITGZTLU-UHFFFAOYSA-N",369190,NA,"PDBC51071","640896","Present",NA,NA
+"51072","N~1~-Hydroxy-N~5~-(3-((5-(hydroxy(methyl)amino)-5-oxopentanoyl)amino)-2,2-dimethylpropyl)-N~1~-methylpentanediamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-Hydroxy-N-[3-[[5-[hydroxy(methyl)amino]-5-oxopentanoyl]amino]-2,2-dimethylpropyl]-N'-methylpentanediamide",NA,"CC(C)(CNC(=O)CCCC(=O)N(C)O)CNC(=O)CCCC(=O)N(C)O","XRWCFBQDOYNLHT-UHFFFAOYSA-N",396680,NA,"PDBC51072","703194","Present",NA,NA
+"51073","N~1~-Trityl-N~2~-(2-((2-(tritylamino)cyclohexyl)amino)ethyl)-1,2-cyclohexanediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~1~-Trityl-N~2~-(2-((2-(tritylamino)cyclohexyl)amino)ethyl)-1,2-cyclohexanediamine",NA,"C1CCC(C(C1)NCCNC2CCCCC2NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)NC(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","INMAEUFTSXWEFD-UHFFFAOYSA-N",384594,NA,"PDBC51073","674606","Present",NA,NA
+"51074","N~2~,N~2~,N~4~,N~4~,N~6~-Pentamethyl-N~6~-((methylanilino)methyl)-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~,N~2~,N~4~,N~4~,N~6~-Pentamethyl-N~6~-((methylanilino)methyl)-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)C1=NC(=NC(=N1)N(C)CN(C)C2=CC=CC=C2)N(C)C","CAMJDWRWEQRBIG-UHFFFAOYSA-N",375873,NA,"PDBC51074","656188","Present",NA,NA
+"51075","N~2~,N~4~-Di(1-adamantyl)-6-chloro-1,3,5-triazine-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~,N~4~-Di(1-adamantyl)-6-chloro-1,3,5-triazine-2,4-diamine",NA,"C1C2CC3CC1CC(C2)(C3)NC4=NC(=NC(=N4)Cl)NC56CC7CC(C5)CC(C7)C6","REODSSILSGZFFM-UHFFFAOYSA-N",394865,NA,"PDBC51075","698954","Present",NA,NA
+"51076","N~2~,N~6~-Bis(2-chloro-1,1-dimethylethyl)-2,6-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~,N~6~-Bis(2-chloro-1,1-dimethylethyl)-2,6-pyridinedicarboxamide",NA,"CC(C)(CCl)NC(=O)C1=NC(=CC=C1)C(=O)NC(C)(C)CCl","JLXUILFMLOLRDG-UHFFFAOYSA-N",373167,NA,"PDBC51076","649115","Present",NA,NA
+"51077","N~2~-(((4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl)(methyl)amino)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-[[[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]-methylamino]methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)C1=NC(=NC(=N1)N(C)CN(C)C2=NC(=NC(=N2)N(C)C)N(C)C)N(C)C","AHKJUNMOZSOJRG-UHFFFAOYSA-N",375171,NA,"PDBC51077","654387","Present",NA,NA
+"51078","N~2~-((4-Chloro(methyl)anilino)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-[(4-Chloro-N-methylanilino)methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)C1=NC(=NC(=N1)N(C)CN(C)C2=CC=C(C=C2)Cl)N(C)C","BDVIETWBFAUONM-UHFFFAOYSA-N",375874,NA,"PDBC51078","656189","Present",NA,NA
+"51079","N~2~-((4-Methoxy(methyl)anilino)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-N-[(4-Methoxy-N-methylanilino)methyl]-2-N,4-N,4-N,6-N,6-N-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)C1=NC(=NC(=N1)N(C)CN(C)C2=CC=C(C=C2)OC)N(C)C","VULBBAJWZXPTCF-UHFFFAOYSA-N",375170,NA,"PDBC51079","654386","Present",NA,NA
+"51080","N~2~-((Ethylthio)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-((Ethylthio)methyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,"CCSCN(C)C1=NC(=NC(=N1)N(C)C)N(C)C","MMUPXXUPQDXGMM-UHFFFAOYSA-N",375167,NA,"PDBC51080","654382","Present",NA,NA
+"51081","N~2~-(1-Adamantyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(1-Adamantyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)C1=NC(=NC(=N1)N(C)C23CC4CC(C2)CC(C4)C3)N(C)C","ASDANTDVNGNOKK-UHFFFAOYSA-N",394868,NA,"PDBC51081","698957","Present",NA,NA
+"51082","N~2~-(1-Adamantyl)-N~4~,N~4~,N~6~,N~6~-tetramethyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(1-Adamantyl)-N~4~,N~4~,N~6~,N~6~-tetramethyl-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)C1=NC(=NC(=N1)NC23CC4CC(C2)CC(C4)C3)N(C)C","BLXKGLQDXNUWQR-UHFFFAOYSA-N",394867,NA,"PDBC51082","698956","Present",NA,NA
+"51083","N~2~-(3,4,5-Trimethoxybenzyl)-2,6-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4,5-Trimethoxybenzyl)-2,6-quinoxalinediamine",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=CN=C3C=C(C=CC3=N2)N","AQYDIFGIIZQGJZ-UHFFFAOYSA-N",374163,NA,"PDBC51083","651632","Present",NA,NA
+"51084","N~2~-(3,4,5-Trimethoxybenzyl)-2,7-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4,5-Trimethoxybenzyl)-2,7-quinoxalinediamine",NA,"COC1=CC(=CC(=C1OC)OC)CNC2=CN=C3C=CC(=CC3=N2)N","RLETWVFONXZSNK-UHFFFAOYSA-N",373185,NA,"PDBC51084","649149","Present",NA,NA
+"51085","N~2~-(3,4,5-Trimethoxyphenyl)-2,6-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4,5-Trimethoxyphenyl)-2,6-quinoxalinediamine",NA,"COC1=CC(=CC(=C1OC)OC)NC2=CN=C3C=C(C=CC3=N2)N","ZYOQLMBPXLMNAI-UHFFFAOYSA-N",374162,NA,"PDBC51085","651631","Present",NA,NA
+"51086","N~2~-(3,4,5-Trimethoxyphenyl)-2,7-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4,5-Trimethoxyphenyl)-2,7-quinoxalinediamine",NA,"COC1=CC(=CC(=C1OC)OC)NC2=CN=C3C=CC(=CC3=N2)N","JSFRSCBRMCMEJJ-UHFFFAOYSA-N",373184,NA,"PDBC51086","649148","Present",NA,NA
+"51087","N~2~-(3,4-Dichlorophenyl)-2,6-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4-Dichlorophenyl)-2,6-quinoxalinediamine",NA,"C1=CC2=NC(=CN=C2C=C1N)NC3=CC(=C(C=C3)Cl)Cl","GQHNCWKTUIXZAC-UHFFFAOYSA-N",374662,NA,"PDBC51087","652762","Present",NA,NA
+"51088","N~2~-(3,4-Dichlorophenyl)-2,7-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4-Dichlorophenyl)-2,7-quinoxalinediamine",NA,"C1=CC2=NC=C(N=C2C=C1N)NC3=CC(=C(C=C3)Cl)Cl","AWPZFSHVVHMYJP-UHFFFAOYSA-N",374826,NA,"PDBC51088","653249","Present",NA,NA
+"51089","N~2~-(3,4-Dichlorophenyl)-9H-purine-2,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4-Dichlorophenyl)-9H-purine-2,6-diamine",NA,"C1=CC(=C(C=C1NC2=NC(=C3C(=N2)N=CN3)N)Cl)Cl","QUQWBNJQTLWIEB-UHFFFAOYSA-N",496192,NA,"PDBC51089","681687","Present",NA,NA
+"51090","N~2~-(3,4-Dimethoxybenzyl)-2,6-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4-Dimethoxybenzyl)-2,6-quinoxalinediamine",NA,"COC1=C(C=C(C=C1)CNC2=CN=C3C=C(C=CC3=N2)N)OC","JTTUHPAUYMZFGM-UHFFFAOYSA-N",374661,NA,"PDBC51090","652761","Present",NA,NA
+"51091","N~2~-(3,4-Dimethoxybenzyl)-2,7-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4-Dimethoxybenzyl)-2,7-quinoxalinediamine",NA,"COC1=C(C=C(C=C1)CNC2=CN=C3C=CC(=CC3=N2)N)OC","NVIZAGZBXWEOTC-UHFFFAOYSA-N",374664,NA,"PDBC51091","652764","Present",NA,NA
+"51092","N~2~-(3,4-Dimethoxyphenyl)-2,6-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4-Dimethoxyphenyl)-2,6-quinoxalinediamine",NA,"COC1=C(C=C(C=C1)NC2=CN=C3C=C(C=CC3=N2)N)OC","UJPOBDQUXIYGCC-UHFFFAOYSA-N",374824,NA,"PDBC51092","653247","Present",NA,NA
+"51093","N~2~-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(3,4-Dimethoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine",NA,"COC1=C(C=C(C=C1)NC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N)OC","RKSHAXFGZMSRKU-UHFFFAOYSA-N",371167,NA,"PDBC51093","645168","Present",NA,NA
+"51094","N~2~-(3-Fluorophenyl)quinazoline-2,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766757",NA,"C1=CC=C2C(=C1)C(=NC(=N2)NC3=CC(=CC=C3)F)N","GMSVPBCCVMQLIL-UHFFFAOYSA-N",653020,NA,"PDBC51094","766757","Present",NA,NA
+"51095","N~2~-(4-Fluorobenzyl)-2,6-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(4-Fluorobenzyl)-2,6-quinoxalinediamine",NA,"C1=CC(=CC=C1CNC2=CN=C3C=C(C=CC3=N2)N)F","POCYLRPQBQIBBF-UHFFFAOYSA-N",376135,NA,"PDBC51095","656628","Present",NA,NA
+"51096","N~2~-(4-Fluorobenzyl)-2,7-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(4-Fluorobenzyl)-2,7-quinoxalinediamine",NA,"C1=CC(=CC=C1CNC2=CN=C3C=CC(=CC3=N2)N)F","OTUFGIPDVXHSIZ-UHFFFAOYSA-N",374828,NA,"PDBC51096","653251","Present",NA,NA
+"51097","N~2~-(4-Fluorophenyl)-2,7-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(4-Fluorophenyl)-2,7-quinoxalinediamine",NA,"C1=CC(=CC=C1NC2=CN=C3C=CC(=CC3=N2)N)F","HTIZKAZUXZHJRN-UHFFFAOYSA-N",374663,NA,"PDBC51097","652763","Present",NA,NA
+"51098","N~2~-(4-Methoxybenzyl)-2,6-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(4-Methoxybenzyl)-2,6-quinoxalinediamine",NA,"COC1=CC=C(C=C1)CNC2=CN=C3C=C(C=CC3=N2)N","ZQVFJCORAHGQKA-UHFFFAOYSA-N",376134,NA,"PDBC51098","656627","Present",NA,NA
+"51099","N~2~-(4-Methoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(4-Methoxyphenyl)-3-phenyl-6-(trifluoromethyl)-2,8-quinoxalinediamine",NA,"COC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3N=C2C4=CC=CC=C4)C(F)(F)F)N","CQKCOXZIDJJZCO-UHFFFAOYSA-N",371168,NA,"PDBC51099","645169","Present",NA,NA
+"51100","N~2~-(Methoxymethyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(Methoxymethyl)-N~2~,N~4~,N~4~,N~6~,N~6~-pentamethyl-1,3,5-triazine-2,4,6-triamine",NA,"CN(C)C1=NC(=NC(=N1)N(C)COC)N(C)C","KEFZGWRGFATDGW-UHFFFAOYSA-N",375166,NA,"PDBC51100","654381","Present",NA,NA
+"51101","N~2~-(Trifluoroacetyl)glutamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-(Trifluoroacetyl)glutamine",NA,"C(CC(=O)N)C(C(=O)O)NC(=O)C(F)(F)F","DZSRTQQASVFEBN-UHFFFAOYSA-N",362803,NA,"PDBC51101","627081","Present",NA,NA
+"51102","N~2~-Allyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-Allyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine",NA,"C=CCNC1=NC2=C(N=CN=C2S1)N","KWZGFNXRPUIMRL-UHFFFAOYSA-N",379273,NA,"PDBC51102","663779","Present",NA,NA
+"51103","N~2~-Phenyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~2~-Phenyl[1,3]thiazolo[5,4-d]pyrimidine-2,7-diamine",NA,"C1=CC=C(C=C1)NC2=NC3=C(N=CN=C3S2)N","LXSHSMPIZAEETA-UHFFFAOYSA-N",367984,NA,"PDBC51103","638202","Present",NA,NA
+"51104","N~3~,N~3~,N~5~,N~5~-Tetraethyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~3~,N~5~,N~5~-Tetraethyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CCN(CC)C(=O)C1=C(NC(=C(C1)C(=O)N(CC)CC)C)C","ZTJPMPSEGYARKS-UHFFFAOYSA-N",377048,NA,"PDBC51104","658265","Present",NA,NA
+"51105","N~3~,N~3~,N~5~,N~5~-Tetraisopropyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~3~,N~5~,N~5~-Tetraisopropyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(CC(=C(N1)C)C(=O)N(C(C)C)C(C)C)C(=O)N(C(C)C)C(C)C","IMATVYPGZFFBLR-UHFFFAOYSA-N",376620,NA,"PDBC51105","657650","Present",NA,NA
+"51106","N~3~,N~5~-Bis(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-(furan-2-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=O)N(C(=O)N2C)C)C3=CC=CO3)C(=O)NC4=CC(=O)N(C(=O)N4C)C","RQSOLELHEAJKPH-UHFFFAOYSA-N",367759,NA,"PDBC51106","637698","Present",NA,NA
+"51107","N~3~,N~5~-Bis(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-(2-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=O)N(C(=O)N2C)C)C3=C(C(=CC=C3)OC)O)C(=O)NC4=CC(=O)N(C(=O)N4C)C","PNNBJCYNRQUFFU-UHFFFAOYSA-N",367770,NA,"PDBC51107","637709","Present",NA,NA
+"51108","N~3~,N~5~-Bis(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=O)N(C(=O)N2C)C)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC(=O)N(C(=O)N4C)C","MVEUAEJCMOZTJY-UHFFFAOYSA-N",367760,NA,"PDBC51108","637699","Present",NA,NA
+"51109","N~3~,N~5~-Bis(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=O)N(C(=O)N2C)C)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=O)N(C(=O)N4C)C","LXVZFFQVPVCZLD-UHFFFAOYSA-N",367761,NA,"PDBC51109","637700","Present",NA,NA
+"51110","N~3~,N~5~-Bis(1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(1,3-dioxoisoindol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(CC(=C(N1)C)C(=O)NC2=CC=CC3=C2C(=O)NC3=O)C(=O)NC4=CC=CC5=C4C(=O)NC5=O","ROTPTPMNOFUSHM-UHFFFAOYSA-N",377044,NA,"PDBC51110","658260","Present",NA,NA
+"51111","N~3~,N~5~-Bis(2,5-dimethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Bis(2,5-dimethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=C(C=CC(=C2)OC)OC)C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)OC)OC","XIZHRCBYZGAVAI-UHFFFAOYSA-N",361092,NA,"PDBC51111","623897","Present",NA,NA
+"51112","N~3~,N~5~-Bis(2,6-diethylphenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(2,6-diethylphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCC1=C(C(=CC=C1)CC)NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=C(C=CC=C4CC)CC)C)C","FBUGLGNPTQPWBY-UHFFFAOYSA-N",367687,NA,"PDBC51112","637618","Present",NA,NA
+"51113","N~3~,N~5~-Bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCC1=C(C(=CC=C1)CC)NC(=O)C2=CNC(=C(C2C3=CC(=C(C=C3)O)OC)C(=O)NC4=C(C=CC=C4CC)CC)C","OHHQMADANZMYNJ-UHFFFAOYSA-N",367692,NA,"PDBC51113","637623","Present",NA,NA
+"51114","N~3~,N~5~-Bis(2-ethoxyphenyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(2-ethoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCOC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4OCC)C)C","ZNAXNOLCHXPUNU-UHFFFAOYSA-N",367702,NA,"PDBC51114","637633","Present",NA,NA
+"51115","N~3~,N~5~-Bis(2-ethoxyphenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(2-ethoxyphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCOC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4OCC)C)C","DZZXHBJIEDKMAS-UHFFFAOYSA-N",367694,NA,"PDBC51115","637625","Present",NA,NA
+"51116","N~3~,N~5~-Bis(2-ethyl-6-methylphenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(2-ethyl-6-methylphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCC1=CC=CC(=C1NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=C(C=CC=C4CC)C)C)C)C","OUPPURRNWKTNLT-UHFFFAOYSA-N",367701,NA,"PDBC51116","637632","Present",NA,NA
+"51117","N~3~,N~5~-Bis(2-ethylphenyl)-4-(3-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(2-ethylphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCC1=CC=CC=C1NC(=O)C2=C(NC(=C(C2C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4CC)C)C","SJGVDMBAYALBRI-UHFFFAOYSA-N",367771,NA,"PDBC51117","637710","Present",NA,NA
+"51118","N~3~,N~5~-Bis(2-hydroxypropyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Bis(2-hydroxypropyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(CC(=C(N1)C)C(=O)NCC(C)O)C(=O)NCC(C)O","GDFOJMSJUTWGHD-UHFFFAOYSA-N",377032,NA,"PDBC51118","658249","Present",NA,NA
+"51119","N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(1-naphthyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(1-naphthyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5OC","PIICTFYSKMHNAZ-UHFFFAOYSA-N",364526,NA,"PDBC51119","630912","Present",NA,NA
+"51120","N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C=CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4OC","IKARRKPPMMEGRD-VHEBQXMUSA-N",5932521,NA,"PDBC51120","623875","Present",NA,NA
+"51121","N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Bis(2-methoxyphenyl)-2,6-dimethyl-4-(4-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=CC=C(C=C1)C2C(=C(NC(=C2C(=O)NC3=CC=CC=C3OC)C)C)C(=O)NC4=CC=CC=C4OC","QXEQSJKXTSRLAI-UHFFFAOYSA-N",364522,NA,"PDBC51121","630908","Present",NA,NA
+"51122","N~3~,N~5~-Bis(3,4-dichlorophenyl)-4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Bis(3,4-dichlorophenyl)-4-(2-furyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=CO3)C(=O)NC4=CC(=C(C=C4)Cl)Cl","NKHVECLYGHEFCN-UHFFFAOYSA-N",367689,NA,"PDBC51122","637620","Present",NA,NA
+"51123","N~3~,N~5~-Bis(3,4-dichlorophenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3,N5-Bis(3,4-dichlorophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=C(C=C4)Cl)Cl","CNRLMLZDFSCNFE-UHFFFAOYSA-N",367696,NA,"PDBC51123","637627","Present",NA,NA
+"51124","N~3~,N~5~-Bis(3,4-dichlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(3,4-dichlorophenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=C(C=C2)Cl)Cl)C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC(=C(C=C4)Cl)Cl","YFTKTIWURXTAMJ-UHFFFAOYSA-N",367773,NA,"PDBC51124","637712","Present",NA,NA
+"51125","N~3~,N~5~-Bis(3-(bis(2-hydroxyethyl)amino)propyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Bis(3-(bis(2-hydroxyethyl)amino)propyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(CC(=C(N1)C)C(=O)NCCCN(CCO)CCO)C(=O)NCCCN(CCO)CCO","RUARZNSFJTXDKW-UHFFFAOYSA-N",376618,NA,"PDBC51125","657648","Present",NA,NA
+"51126","N~3~,N~5~-Bis(3-chlorophenyl)-4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Bis(3-chlorophenyl)-4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)Cl)C3=CC=CC=C3F)C(=O)NC4=CC(=CC=C4)Cl","XOLLDCSYYGTANO-UHFFFAOYSA-N",367697,NA,"PDBC51126","637628","Present",NA,NA
+"51127","N~3~,N~5~-Bis(3-chlorophenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3,N5-Bis(3-chlorophenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC(=CC=C2)Cl)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC(=CC=C4)Cl","STDWFMOCUZSBSZ-UHFFFAOYSA-N",367740,NA,"PDBC51127","637679","Present",NA,NA
+"51128","N~3~,N~5~-Bis(3-methoxypropyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Bis(3-methoxypropyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(CC(=C(N1)C)C(=O)NCCCOC)C(=O)NCCCOC","IVWSURCQRNZQKH-UHFFFAOYSA-N",377040,NA,"PDBC51128","658256","Present",NA,NA
+"51129","N~3~,N~5~-Bis(4-(hydroxy(oxido)amino)phenyl)-4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(2-Hydroxyphenyl)-2,6-dimethyl-N3,N5-bis(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3O)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]","GAEAEBKMNAJNMJ-UHFFFAOYSA-N",367704,NA,"PDBC51129","637635","Present",NA,NA
+"51130","N~3~,N~5~-Bis(4-ethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Bis(4-ethoxyphenyl)-2,6-dimethyl-4-phenyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)OCC)C)C","WGJZFLKYIYUYSP-UHFFFAOYSA-N",367695,NA,"PDBC51130","637626","Present",NA,NA
+"51131","N~3~,N~5~-Bis(4-ethoxyphenyl)-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(4-ethoxyphenyl)-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)OCC)C)C","CTJHYLBAWNFFTC-UHFFFAOYSA-N",367768,NA,"PDBC51131","637707","Present",NA,NA
+"51132","N~3~,N~5~-Bis(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-N,5-N-Bis(4-ethoxyphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CCOC1=CC=C(C=C1)NC(=O)C2=C(NC(=C(C2C3=CC(=C(C=C3)O)OC)C(=O)NC4=CC=C(C=C4)OCC)C)C","QVJFTCJKUZPSNQ-UHFFFAOYSA-N",367742,NA,"PDBC51132","637681","Present",NA,NA
+"51133","N~3~,N~5~-Di(tert-butyl)-2,6-dimethyl-1,2,3,4-tetrahydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Di(tert-butyl)-2,6-dimethyl-1,2,3,4-tetrahydro-3,5-pyridinedicarboxamide",NA,"CC1C(CC(=C(N1)C)C(=O)NC(C)(C)C)C(=O)NC(C)(C)C","FJYFISLNIKEFCS-UHFFFAOYSA-N",376619,NA,"PDBC51133","657649","Present",NA,NA
+"51134","N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=CC=CC=C1C2C(=C(NC(=C2C(=O)NCC3=CC=CC=C3)C)C)C(=O)NCC4=CC=CC=C4","JKUTXIHRZGUNIP-UHFFFAOYSA-N",365836,NA,"PDBC51134","633911","Present",NA,NA
+"51135","N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Dibenzyl-2,6-dimethyl-4-(2-phenylvinyl)-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C=CC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4","ZMSMNDIHLYDJDH-VHEBQXMUSA-N",5388220,NA,"PDBC51135","633913","Present",NA,NA
+"51136","N~3~,N~5~-Dibenzyl-4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Dibenzyl-4-(3,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)C(=O)NCC4=CC=CC=C4","GXLKODREDDTNBO-UHFFFAOYSA-N",365866,NA,"PDBC51136","633941","Present",NA,NA
+"51137","N~3~,N~5~-Dibenzyl-4-(4-(dimethylamino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Dibenzyl-4-(4-(dimethylamino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C)C(=O)NCC4=CC=CC=C4","MYVMJWUVBZXNBM-UHFFFAOYSA-N",366159,NA,"PDBC51137","634486","Present",NA,NA
+"51138","N~3~,N~5~-Dibenzyl-4-(4-(hydroxy(oxido)amino)phenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N3,N5-Dibenzyl-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NCC4=CC=CC=C4","CMTOKSOROIDCMJ-UHFFFAOYSA-N",365877,NA,"PDBC51138","633954","Present",NA,NA
+"51139","N~3~,N~5~-Dibenzyl-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Dibenzyl-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(C(C(=C(N1)C)C(=O)NCC2=CC=CC=C2)C3=CC(=C(C=C3)O)OC)C(=O)NCC4=CC=CC=C4","UGNGKMLYERJFDD-UHFFFAOYSA-N",366161,NA,"PDBC51139","634488","Present",NA,NA
+"51140","N~3~,N~5~-Dibutyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Dibutyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CCCCNC(=O)C1=C(NC(=C(C1)C(=O)NCCCC)C)C","MNBAXUIFXWDQPI-UHFFFAOYSA-N",376647,NA,"PDBC51140","657677","Present",NA,NA
+"51141","N~3~,N~5~-Dibutyl-N~3~,N~5~,2,6-tetramethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Dibutyl-N~3~,N~5~,2,6-tetramethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CCCCN(C)C(=O)C1=C(NC(=C(C1)C(=O)N(C)CCCC)C)C","GKOUDCQHQZUOGS-UHFFFAOYSA-N",377029,NA,"PDBC51141","658246","Present",NA,NA
+"51142","N~3~,N~5~-Dibutyl-N~3~,N~5~-diethyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Dibutyl-N~3~,N~5~-diethyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CCCCN(CC)C(=O)C1=C(NC(=C(C1)C(=O)N(CC)CCCC)C)C","GEAAAXSFIVKZPF-UHFFFAOYSA-N",376645,NA,"PDBC51142","657675","Present",NA,NA
+"51143","N~3~,N~5~-Dicyclohexyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Dicyclohexyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CC1=C(CC(=C(N1)C)C(=O)NC2CCCCC2)C(=O)NC3CCCCC3","ZKHOZOKPBQCOQD-UHFFFAOYSA-N",377052,NA,"PDBC51143","658268","Present",NA,NA
+"51144","N~3~,N~5~-Dihexyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~3~,N~5~-Dihexyl-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxamide",NA,"CCCCCCNC(=O)C1=C(NC(=C(C1)C(=O)NCCCCCC)C)C","DJISDVUIKNOKMJ-UHFFFAOYSA-N",377031,NA,"PDBC51144","658248","Present",NA,NA
+"51145","N~4~,N~5~-Bis(2-(2-pyridinyl)ethyl)-1H-imidazole-4,5-dicarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~,N~5~-Bis(2-(2-pyridinyl)ethyl)-1H-imidazole-4,5-dicarbothioamide",NA,"C1=CC=NC(=C1)CCNC(=S)C2=C(N=CN2)C(=S)NCCC3=CC=CC=N3","SLWIACRTJATKCU-UHFFFAOYSA-N",3005365,NA,"PDBC51145","694993","Present",NA,NA
+"51146","N~4~,N~6~-Dibenzyl-2,4,6-pyrimidinetriamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~,N~6~-Dibenzyl-2,4,6-pyrimidinetriamine",NA,"C1=CC=C(C=C1)CNC2=CC(=NC(=N2)N)NCC3=CC=CC=C3","QLGPIDFUQBUOEF-UHFFFAOYSA-N",388644,NA,"PDBC51146","683656","Present",NA,NA
+"51147","N~4~-(1-Adamantyl)-6-chloro-2,4-pyrimidinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(1-Adamantyl)-6-chloro-2,4-pyrimidinediamine",NA,"C1C2CC3CC1CC(C2)(C3)NC4=CC(=NC(=N4)N)Cl","CVXSFZWDGRUOFJ-UHFFFAOYSA-N",394862,NA,"PDBC51147","698951","Present",NA,NA
+"51148","N~4~-(2-Methoxyphenyl)-2,4,5,6-pyrimidinetetramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(2-Methoxyphenyl)-2,4,5,6-pyrimidinetetramine",NA,"COC1=CC=CC=C1NC2=NC(=NC(=C2N)N)N","GYPPUNPCXFGRNB-UHFFFAOYSA-N",390788,NA,"PDBC51148","688722","Present",NA,NA
+"51149","N~4~-(2-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(2-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine",NA,"COC1=CC=CC=C1NC2=NC(=NC(=C2N=O)N)N","BHYJVVONQVFGIR-UHFFFAOYSA-N",390785,NA,"PDBC51149","688719","Present",NA,NA
+"51150","N~4~-(3,5-Dichlorophenyl)-6-methoxy-2,4-pyrimidinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(3,5-Dichlorophenyl)-6-methoxy-2,4-pyrimidinediamine",NA,"COC1=NC(=NC(=C1)NC2=CC(=CC(=C2)Cl)Cl)N","UQWPQHQZWLSFHE-UHFFFAOYSA-N",388055,NA,"PDBC51150","682515","Present",NA,NA
+"51151","N~4~-(3-Methoxyphenyl)-2,4,5,6-pyrimidinetetramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(3-Methoxyphenyl)-2,4,5,6-pyrimidinetetramine",NA,"COC1=CC=CC(=C1)NC2=NC(=NC(=C2N)N)N","OUBICDONMHNYPR-UHFFFAOYSA-N",390789,NA,"PDBC51151","688723","Present",NA,NA
+"51152","N~4~-(3-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(3-Methoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine",NA,"COC1=CC=CC(=C1)NC2=NC(=NC(=C2N=O)N)N","IYRNUFPZVBVIKU-UHFFFAOYSA-N",390786,NA,"PDBC51152","688720","Present",NA,NA
+"51153","N~4~-(4-Ethoxyphenyl)-2,4,5,6-pyrimidinetetramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(4-Ethoxyphenyl)-2,4,5,6-pyrimidinetetramine",NA,"CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2N)N)N","NBPUMJMPVWDNJC-UHFFFAOYSA-N",390790,NA,"PDBC51153","688724","Present",NA,NA
+"51154","N~4~-(4-Ethoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(4-Ethoxyphenyl)-5-nitroso-2,4,6-pyrimidinetriamine",NA,"CCOC1=CC=C(C=C1)NC2=NC(=NC(=C2N=O)N)N","MBBRQEWKJBRPEO-UHFFFAOYSA-N",390787,NA,"PDBC51154","688721","Present",NA,NA
+"51155","N~4~-(6-((2-Amino-6-chloro-4-pyrimidinyl)amino)hexyl)-6-chloro-2,4-pyrimidinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(6-((2-Amino-6-chloro-4-pyrimidinyl)amino)hexyl)-6-chloro-2,4-pyrimidinediamine",NA,"C1=C(N=C(N=C1Cl)N)NCCCCCCNC2=CC(=NC(=N2)N)Cl","ADULCMDEVILOLH-UHFFFAOYSA-N",363997,NA,"PDBC51155","629619","Present",NA,NA
+"51156","N~4~-(6-Chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethyl-5-phenylpentane-1,4-diamine--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-(6-Chloro-2-methoxyacridin-9-yl)-1-N,1-N-diethyl-5-phenylpentane-1,4-diamine;hydrochloride",NA,"CCN(CC)CCCC(CC1=CC=CC=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC.Cl","ISBUXIXJLSJLAO-UHFFFAOYSA-N",24181640,NA,"PDBC51156","10593","Present",NA,NA
+"51157","N~4~-(7-Chloro-3-phenylquinolin-4-yl)-N~1~,N~1~-diethylpentane-1,4-diamine--hydrogen iodide (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-N-(7-Chloro-3-phenylquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine;hydroiodide",NA,"CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1C3=CC=CC=C3)Cl.I","OTZHYAWSJGUWHI-UHFFFAOYSA-N",24182056,NA,"PDBC51157","13477","Present",NA,NA
+"51158","N~4~-(8-((2-Amino-6-chloro-4-pyrimidinyl)amino)octyl)-6-chloro-2,4-pyrimidinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~4~-(8-((2-Amino-6-chloro-4-pyrimidinyl)amino)octyl)-6-chloro-2,4-pyrimidinediamine",NA,"C1=C(N=C(N=C1Cl)N)NCCCCCCCCNC2=CC(=NC(=N2)N)Cl","GBSDXZVWFGECBR-UHFFFAOYSA-N",363998,NA,"PDBC51158","629620","Present",NA,NA
+"51159","N~5~-(4-Hydroxyphenyl)ornithine--hydrogen chloride (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N~5~-(4-Hydroxyphenyl)ornithine--hydrogen chloride (1/1)",NA,"C1=CC(=CC=C1NCCCC(C(=O)O)N)O.Cl","GSNSJGHJZVRHFW-UHFFFAOYSA-N",24199599,NA,"PDBC51159","337780","Present",NA,NA
+"51160","O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O,O-Bis(2-fluoro-2,2-bis(hydroxy(oxido)amino)ethyl) thiocarbonate",NA,"C(C([N+](=O)[O-])([N+](=O)[O-])F)OC(=S)OCC([N+](=O)[O-])([N+](=O)[O-])F","WMUNXAZWYPTWDQ-UHFFFAOYSA-N",329459,NA,"PDBC51160","312439","Present",NA,NA
+"51161","O-(1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl) dimethylthiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(1-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethyl) dimethylthiocarbamate",NA,"CN(C)C(=S)OC(CN1C=NC=N1)C2=C(C=C(C=C2)Cl)Cl","IOCCOLQSVOYIJF-UHFFFAOYSA-N",368169,NA,"PDBC51161","638587","Present",NA,NA
+"51162","O-(1-Adamantyl) N-(3,4-dichlorobenzoyl)-N-phenylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(1-Adamantyl) N-(3,4-dichlorobenzoyl)-N-phenylcarbamothioate",NA,"C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC(=C(C=C5)Cl)Cl","UEDNLZFRVASMEF-UHFFFAOYSA-N",401360,NA,"PDBC51162","714672","Present",NA,NA
+"51163","O-(1-Adamantyl) N-(3,5-dichlorobenzoyl)-N-phenylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(1-Adamantyl) N-(3,5-dichlorobenzoyl)-N-phenylcarbamothioate",NA,"C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC(=CC(=C5)Cl)Cl","BMUGRENZVMZOCM-UHFFFAOYSA-N",401361,NA,"PDBC51163","714673","Present",NA,NA
+"51164","O-(1-Adamantyl) N-(4-chlorobenzoyl)-N-phenylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(1-Adamantyl) N-(4-chlorobenzoyl)-N-phenylcarbamothioate",NA,"C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC=C(C=C5)Cl","LYESAFBGSIEUPG-UHFFFAOYSA-N",401359,NA,"PDBC51164","714671","Present",NA,NA
+"51165","O-(1-Adamantyl) N-(furan-2-carbonyl)-N-phenylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(1-Adamantyl) N-(furan-2-carbonyl)-N-phenylcarbamothioate",NA,"C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC=CO5","HOUZKBDTKJIVGP-UHFFFAOYSA-N",401363,NA,"PDBC51165","714675","Present",NA,NA
+"51166","O-(1-Adamantyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(1-Adamantyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)OC34CC5CC(C3)CC(C5)C4","OVULJPBLXYAXLU-UHFFFAOYSA-N",401362,NA,"PDBC51166","714674","Present",NA,NA
+"51167","O-(1-Adamantyl) N-phenyl-N-(thiophene-2-carbonyl)carbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(1-Adamantyl) N-phenyl-N-(thiophene-2-carbonyl)carbamothioate",NA,"C1C2CC3CC1CC(C2)(C3)OC(=S)N(C4=CC=CC=C4)C(=O)C5=CC=CS5","IYSSWRXQUYKWHL-UHFFFAOYSA-N",401364,NA,"PDBC51167","714676","Present",NA,NA
+"51168","O-(2-Cyclohexen-1-yl) S-methyl butylimidothiocarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohex-2-en-1-yl (1E)-N-butyl-1-methylsulfanyl-methanimidate",NA,"CCCCN=C(OC1CCCC=C1)SC","PNUUUXUAKXGWCV-UHFFFAOYSA-N",376267,NA,"PDBC51168","656974","Present",NA,NA
+"51169","O-(2-Oxochromen-7-yl) N,N-dimethylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(2-Oxochromen-7-yl) N,N-dimethylcarbamothioate",NA,"CN(C)C(=S)OC1=CC2=C(C=C1)C=CC(=O)O2","HKHBSEXPMPKERZ-UHFFFAOYSA-N",395496,NA,"PDBC51169","700138","Present",NA,NA
+"51170","O-(2-Phenoxyethyl) 2-furoyl(phenyl)thiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(2-Phenoxyethyl) 2-furoyl(phenyl)thiocarbamate",NA,"C1=CC=C(C=C1)N(C(=O)C2=CC=CO2)C(=S)OCCOC3=CC=CC=C3","MUASZSXJGBBMCG-UHFFFAOYSA-N",396761,NA,"PDBC51170","703471","Present",NA,NA
+"51171","O-(2-Phenoxyethyl) N-(4-methoxybenzoyl)-N-phenylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(2-Phenoxyethyl) N-(4-methoxybenzoyl)-N-phenylcarbamothioate",NA,"COC1=CC=C(C=C1)C(=O)N(C2=CC=CC=C2)C(=S)OCCOC3=CC=CC=C3","AWIMFMHQNLHSQO-UHFFFAOYSA-N",396759,NA,"PDBC51171","703469","Present",NA,NA
+"51172","O-(2-Phenoxyethyl) N-phenyl-N-(thiophene-2-carbonyl)carbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(2-Phenoxyethyl) N-phenyl-N-(thiophene-2-carbonyl)carbamothioate",NA,"C1=CC=C(C=C1)N(C(=O)C2=CC=CS2)C(=S)OCCOC3=CC=CC=C3","BDBFBFJSXFQEGB-UHFFFAOYSA-N",396762,NA,"PDBC51172","703472","Present",NA,NA
+"51173","O-(2-Pyridinylmethyl) 2,2-dimethylpropanoyl(phenyl)thiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(2-Pyridinylmethyl) 2,2-dimethylpropanoyl(phenyl)thiocarbamate",NA,"CC(C)(C)C(=O)N(C1=CC=CC=C1)C(=S)OCC2=CC=CC=N2","BTBIPHRZQNWHFA-UHFFFAOYSA-N",391225,NA,"PDBC51173","690122","Present",NA,NA
+"51174","O-(2-Pyridinylmethyl) 2-furoyl(phenyl)thiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(2-Pyridinylmethyl) 2-furoyl(phenyl)thiocarbamate",NA,"C1=CC=C(C=C1)N(C(=O)C2=CC=CO2)C(=S)OCC3=CC=CC=N3","JOSTYFOIRAELIK-UHFFFAOYSA-N",391227,NA,"PDBC51174","690124","Present",NA,NA
+"51175","O-(2-Pyridinylmethyl) 4-chlorobenzoyl(phenyl)thiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(2-Pyridinylmethyl) 4-chlorobenzoyl(phenyl)thiocarbamate",NA,"C1=CC=C(C=C1)N(C(=O)C2=CC=C(C=C2)Cl)C(=S)OCC3=CC=CC=N3","JYMQQJOGFZIRNT-UHFFFAOYSA-N",391226,NA,"PDBC51175","690123","Present",NA,NA
+"51176","O-(2-Pyridinylmethyl) phenyl(2-thienylcarbonyl)thiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(2-Pyridinylmethyl) phenyl(2-thienylcarbonyl)thiocarbamate",NA,"C1=CC=C(C=C1)N(C(=O)C2=CC=CS2)C(=S)OCC3=CC=CC=N3","STBJCOMJZRCVNI-UHFFFAOYSA-N",391228,NA,"PDBC51176","690125","Present",NA,NA
+"51177","O-(2-Pyridinylmethyl) phenyl(3,4,5-trimethoxybenzoyl)thiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(2-Pyridinylmethyl) phenyl(3,4,5-trimethoxybenzoyl)thiocarbamate",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)OCC3=CC=CC=N3","NAKZPLTVEMNQHD-UHFFFAOYSA-N",391229,NA,"PDBC51177","690126","Present",NA,NA
+"51178","O-(3,7-Dimethyloctyl) N-butylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(3,7-Dimethyloctyl) N-butylcarbamothioate",NA,"CCCCNC(=S)OCCC(C)CCCC(C)C","YYRAFGLCWHOADA-UHFFFAOYSA-N",3004101,NA,"PDBC51178","627365","Present",NA,NA
+"51179","O-(3,7-Dimethyloctyl) N-methylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(3,7-Dimethyloctyl) N-methylcarbamothioate",NA,"CC(C)CCCC(C)CCOC(=S)NC","ROFSWVDUYGCIAG-UHFFFAOYSA-N",3004100,NA,"PDBC51179","627364","Present",NA,NA
+"51180","O-(6-Chloro-4-methyl-2-oxochromen-7-yl) N,N-diethylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(6-Chloro-4-methyl-2-oxochromen-7-yl) N,N-diethylcarbamothioate",NA,"CCN(CC)C(=S)OC1=C(C=C2C(=CC(=O)OC2=C1)C)Cl","VHSJQWIXSZQWEF-UHFFFAOYSA-N",330532,NA,"PDBC51180","319468","Present",NA,NA
+"51181","O-(7-Hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(7-Hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl) benzenecarbothioate",NA,"COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC(=S)C4=CC=CC=C4)O","LSOPCVDIXDXVAS-UHFFFAOYSA-N",402866,NA,"PDBC51181","717155","Present",NA,NA
+"51182","O-(8-Hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-(8-Hydroxy-6-methoxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl) benzenecarbothioate",NA,"COC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)O)OC(=S)C4=CC=CC=C4","IKZDKHCUTFBVAG-UHFFFAOYSA-N",402865,NA,"PDBC51182","717154","Present",NA,NA
+"51183","O-(Chloroacetylcarbamoyl)fumagillol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Chloroacetylcarbamoylfumagillol",NA,"CC(=CCC1C(O1)(C)C2C(C(CCC23CO3)OC(=O)NC(=O)CCl)OC)C","MSHZHSPISPJWHW-PVDLLORBSA-N",369976,NA,"PDBC51183","642492","Present",NA,NA
+"51184","O-Benzyl-4-oxo-N-(trifluoroacetyl)homoserine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(benzyloxy)-4-oxo-2-(2,2,2-trifluoroacetamido)-butanoi...",NA,"C1=CC=C(C=C1)COC(=O)CC(C(=O)O)NC(=O)C(F)(F)F","VGWUKEAKQLJWTF-UHFFFAOYSA-N",381633,NA,"PDBC51184","668455","Present",NA,NA
+"51185","O-Benzylfluorescein benzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Benzylfluorescein benzyl ester",NA,"C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=C4C=CC(=O)C=C4O3)C5=CC=CC=C5C(=O)OCC6=CC=CC=C6","YZJGKSLPSGPFEV-UHFFFAOYSA-N",371436,NA,"PDBC51185","645658","Present",NA,NA
+"51186","O-Butyl N-decylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Butyl N-decylcarbamothioate",NA,"CCCCCCCCCCNC(=S)OCCCC","OTFYKPQHFKHXPG-UHFFFAOYSA-N",3004096,NA,"PDBC51186","627360","Present",NA,NA
+"51187","O-Butyl N-dodecylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Butyl N-dodecylcarbamothioate",NA,"CCCCCCCCCCCCNC(=S)OCCCC","HYKHJVBLFVLXDD-UHFFFAOYSA-N",3004098,NA,"PDBC51187","627362","Present",NA,NA
+"51188","O-Carboxymethylhydroxylamine hemihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aminooxyacetic acid hemichloride",NA,"C(C(=O)O)ON.Cl","IXMIEQPWCAPGKV-UHFFFAOYSA-N",10129958,NA,"PDBC51188","56446","Present",NA,NA
+"51189","O-Desmethylbouvardin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"desmethylbouvardin",NA,"CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2C(C3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)O)O)C)C)CC5=CC=C(C=C5)O)C)C","YOCWDXULSGQNRW-UHFFFAOYSA-N",160296,NA,"PDBC51189","324579","Present",NA,NA
+"51190","O-Dodecyl N-butylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Dodecyl N-butylcarbamothioate",NA,"CCCCCCCCCCCCOC(=S)NCCCC","LWIBVTBZOBGYMD-UHFFFAOYSA-N",3004093,NA,"PDBC51190","627357","Present",NA,NA
+"51191","O-Dodecyl N-methylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Dodecyl N-methylcarbamothioate",NA,"CCCCCCCCCCCCOC(=S)NC","KGKDCSVLCYYRKX-UHFFFAOYSA-N",3004092,NA,"PDBC51191","627356","Present",NA,NA
+"51192","O-Ethyl [(2Z)-2-(2-methoxypropan-2-yloxyimino)-2-phenylethyl]sulfanylmethanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Ethyl [(2Z)-2-(2-methoxypropan-2-yloxyimino)-2-phenylethyl]sulfanylmethanethioate",NA,"CCOC(=S)SCC(=NOC(C)(C)OC)C1=CC=CC=C1","OESIXMXWSGUZRI-DTQAZKPQSA-N",5907878,NA,"PDBC51192","680537","Present",NA,NA
+"51193","O-Ethylcolchifoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC353494",NA,"CCOCC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","RSTAAABJXUCDEQ-KRWDZBQOSA-N",337012,NA,"PDBC51193","353494","Present",NA,NA
+"51194","O-Flutamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Flutamide",NA,"CC(C)C(=O)NC1=C(C=CC(=C1)C(F)(F)F)[N+](=O)[O-]","ZMFQELZYFBRXFJ-UHFFFAOYSA-N",384646,NA,"PDBC51194","674689","Present",NA,NA
+"51195","O-MRA-CN-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-MRA-CN-ol",NA,"CC1C2C(CC(O1)OC3CC(CC4=C3C(=C5C(=C4O)C(=O)C6=C(C5=O)C(=CC=C6)OC)O)(C(CO)O)O)N7C(COCC7O2)C#N","GRSNPZMOUCDOAG-UHFFFAOYSA-N",438486,NA,"PDBC51195","639649","Present",NA,NA
+"51196","O-Methyl (decylamino)methanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Methyl (decylamino)methanethioate",NA,"CCCCCCCCCCNC(=S)OC","YLYFDVNILXLQQD-UHFFFAOYSA-N",3004095,NA,"PDBC51196","627359","Present",NA,NA
+"51197","O-Methyl N-dodecylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Methyl N-dodecylcarbamothioate",NA,"CCCCCCCCCCCCNC(=S)OC","MDPAXPPACDSBPT-UHFFFAOYSA-N",3004097,NA,"PDBC51197","627361","Present",NA,NA
+"51198","O-Methyl antimycin A1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Methyl antimycin A1",NA,"CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)CC(C)C.CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)C(C)CC","XEQUXGIRPDFUEY-SMBJCLKESA-N",404835,NA,"PDBC51198","721381","Present",NA,NA
+"51199","O-Methyl antimycin A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Methyl antimycin A2",NA,"CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)CCC.CCCCCCC1C(C(OC(=O)C(C(OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)OC)C)OC(=O)C(C)C","ILSQSGCRVLLXPY-PQDSNQCZSA-N",54611625,NA,"PDBC51199","721441","Present",NA,NA
+"51200","O-Methyl-concanamycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-methyl-concanamycin B",NA,"CC=CC1C(C(CC(O1)(C(C)C(C(C)C2C(C=CC=C(CC(C(C(C(C(C=C(C=C(C(=O)O2)OC)C)C)O)C)O)C)C)OC)O)OC)OC3CC(C(C(O3)C)OC(=O)N)O)C","RKCMTKXTIVZCTQ-JYMVZCBESA-N",5468689,NA,"PDBC51200","674622","Present",NA,NA
+"51201","O-Methylhydroxylamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methoxyammonium chloride",NA,"CON.Cl","XNXVOSBNFZWHBV-UHFFFAOYSA-N",521874,NA,"PDBC51201","3801","Present",NA,NA
+"51202","O-Methylpunjabine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-methylpunjabine dihydrochloride",NA,"CN1CCC2=CC(=C3C(=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C=O)OC)OC6=C(O3)C=C7CCN(C(=O)C7=C6)C)OC.Cl","XADFPCHITAMELY-YCBFMBTMSA-N",389056,NA,"PDBC51202","684698","Present",NA,NA
+"51203","O-Nonyl Methylaminomethanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-nonyl N-methylcarbamothioate",NA,"CCCCCCCCCOC(=S)NC","HNPYEGXKNYOIHI-UHFFFAOYSA-N",3004091,NA,"PDBC51203","627355","Present",NA,NA
+"51204","O-Nonyl N-pentylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-Nonyl N-pentylcarbamothioate",NA,"CCCCCCCCCOC(=S)NCCCCC","FHUHRWZMHLYVEJ-UHFFFAOYSA-N",3004094,NA,"PDBC51204","627358","Present",NA,NA
+"51205","O-Phenethylnicotinaldoxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-phenethylnicotinaldoxime",NA,"C1=CC=C(C=C1)CCON=CC2=CN=CC=C2","JCVYFJONAJNXEU-FOWTUZBSSA-N",9561248,NA,"PDBC51205","37943","Present",NA,NA
+"51206","O-Phenylenediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"opda",NA,"C1=CC=C(C(=C1)N)N","GEYOCULIXLDCMW-UHFFFAOYSA-N",7243,NA,"PDBC51206","5354","Present",NA,NA
+"51207","O-Phospho-DL-threonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dl-O-Phosphothreonine",NA,"CC(C(C(=O)O)N)OP(=O)(O)O","USRGIUJOYOXOQJ-UHFFFAOYSA-N",1016,NA,"PDBC51207","89296","Present",NA,NA
+"51208","O-Undecyl isopropylthiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-undecyl N-isopropylcarbamothioate",NA,"CCCCCCCCCCCOC(=S)NC(C)C","HTLVEGKETFVLHM-UHFFFAOYSA-N",3004099,NA,"PDBC51208","627363","Present",NA,NA
+"51209","O-[(1-Acetyl-2-methoxy-2,3-dihydroindol-3-yl)] N-phenylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-[(1-Acetyl-2-methoxy-2,3-dihydroindol-3-yl)] N-phenylcarbamothioate",NA,"CC(=O)N1C(C(C2=CC=CC=C21)OC(=S)NC3=CC=CC=C3)OC","GJBWUJGCYBNASB-UHFFFAOYSA-N",3834352,NA,"PDBC51209","621856","Present",NA,NA
+"51210","O-[5-(6-Benzamidopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methylsulfanylmethanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-[5-(6-Benzamidopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methylsulfanylmethanethioate",NA,"CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)NC(=O)C4=CC=CC=C4)OC(=S)SC","KRWSBTMVAZGCMH-UHFFFAOYSA-N",356579,NA,"PDBC51210","613002","Present",NA,NA
+"51211","O-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methylsulfanylmethanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O-[5-[[Tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methylsulfanylmethanethioate",NA,"CC1(OC2C(C(OC2O1)CO[Si](C)(C)C(C)(C)C)OC(=S)SC)C","FPMWPZCUVFMELL-UHFFFAOYSA-N",390942,NA,"PDBC51211","689195","Present",NA,NA
+"51212","O1-Benzyl O5-methyl (5S)-3-acetyl-2-oxo-imidazolidine-1,5-dicarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O1-Benzyl O5-methyl (5S)-3-acetyl-2-oxo-imidazolidine-1,5-dicarboxylate",NA,"CC(=O)N1CC(N(C1=O)C(=O)OCC2=CC=CC=C2)C(=O)OC","ZLDGXHIWQQZTNU-LBPRGKRZSA-N",385475,NA,"PDBC51212","676709","Present",NA,NA
+"51213","O4,17-Didemethylhasubanonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hasubanonine,nor,4-demethyl",NA,"COC1=C(C2=C(CCC34C2(CCN3)CC(=O)C(=C4OC)OC)C=C1)O","KTRLYLXLXTXHPM-UHFFFAOYSA-N",281987,NA,"PDBC51213","135031","Present",NA,NA
+"51214","OAM5T44TSB",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OAM5T44TSB",NA,"CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=O)C=C3N2C5=CC=CC=C5","RRPZIPGTVAQGNK-UHFFFAOYSA-N",226107,NA,"PDBC51214","16219","Present",NA,NA
+"51215","OCCN1C2=C(C(c3cccc(Br)c3)c4cc5CCCc5cc14)C(=O)OC2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756084",NA,"C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=CC=C5)Br)C(=O)OC4)CCO","OMVBTQBLPPMCEI-UHFFFAOYSA-N",118715235,NA,"PDBC51215","756084","Present",NA,NA
+"51216","OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5CCCc5cc14)C(=O)OC2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756085",NA,"C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=CC=C5)Cl)C(=O)OC4)CCO","GDCFXRPYEWWCSY-UHFFFAOYSA-N",118715236,NA,"PDBC51216","756085","Present",NA,NA
+"51217","OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5OCCOc5cc14)C(=O)OC2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756088",NA,"C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC(=CC=C5)Cl","CODMLZKFWBTQFC-UHFFFAOYSA-N",118715239,NA,"PDBC51217","756088","Present",NA,NA
+"51218","OCCN1C2=C(C(c3cccc(Cl)c3)c4cc5OCOc5cc14)C(=O)OC2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756083",NA,"C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC(=CC=C5)Cl)C(=O)O1","JGDIPVJHUIVZLE-UHFFFAOYSA-N",118715234,NA,"PDBC51218","756083","Present",NA,NA
+"51219","ODC100031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ODC100031",NA,"C1=CC=C2C(=C1)C(=CN2)CC3=NNC(=O)O3","JDBLFMXHUMRYKB-UHFFFAOYSA-N",398028,NA,"PDBC51219","707101","Present",NA,NA
+"51220","ODM-203",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ODM-203",NA,"CN1C=C(C=N1)C2=CC3=C(C=C2)N(C=N3)C4=CC(=CC(=C4)NS(=O)(=O)C5CC5)C6=C(C=C(C=C6)F)F","ZJFCBQXPTQSTCZ-UHFFFAOYSA-N",71554322,NA,"PDBC51220","825521","Present",NA,NA
+"51221","OEELCQAYWKHKHV-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OEELCQAYWKHKHV-UHFFFAOYSA-N",NA,"COC1=NC(=O)NC2=C1C(C3=C(O2)NC(=O)N=C3OC)C4=CC=C(C=C4)[N+](=O)[O-]","OEELCQAYWKHKHV-UHFFFAOYSA-N",397541,NA,"PDBC51221","705849","Present",NA,NA
+"51222","OEG3LD2WZG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OEG3LD2WZG",NA,"CC1=C2C=CN=C(C2=C(C3=C1N(C4=CC=CC=C43)CC5=CC=CC=C5)C)C#N","ZIJDDIPODSODGY-UHFFFAOYSA-N",330469,NA,"PDBC51222","319073","Present",NA,NA
+"51223","OFJYEVPNPKDNFI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OFJYEVPNPKDNFI-UHFFFAOYSA-N",NA,"CC1=NNC(=O)N1C2=CN=CC=C2","OFJYEVPNPKDNFI-UHFFFAOYSA-N",386150,NA,"PDBC51223","677782","Present",NA,NA
+"51224","OFYWATWIUCJIGO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OFYWATWIUCJIGO-UHFFFAOYSA-N",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])COS(=O)(=O)C)OC)OC","OFYWATWIUCJIGO-UHFFFAOYSA-N",393692,NA,"PDBC51224","696125","Present",NA,NA
+"51225","OG-L002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OG-L002",NA,"C1C(C1N)C2=CC=C(C=C2)C3=CC(=CC=C3)O","DSOJSZXQRJGBCW-CABCVRRESA-N",56639570,NA,"PDBC51225","825287","Present",NA,NA
+"51226","OGJOZPSURDGIJG-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OGJOZPSURDGIJG-UHFFFAOYSA-N",NA,"C1CC2=CC=CC=C2C3=NC4=CC=CC=C4C(=C3C1)N","OGJOZPSURDGIJG-UHFFFAOYSA-N",402666,NA,"PDBC51226","716852","Present",NA,NA
+"51227","OGMJVGSHINJNEX-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OGMJVGSHINJNEX-UHFFFAOYSA-N",NA,"CC1CN=C(S1)N(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)Cl)Cl","OGMJVGSHINJNEX-UHFFFAOYSA-N",383613,NA,"PDBC51227","672031","Present",NA,NA
+"51228","OICR-9429",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OICR-9429",NA,"CN1CCN(CC1)C2=C(C=C(C=C2)C3=CC=CC(=C3)CN4CCOCC4)NC(=O)C5=CNC(=O)C=C5C(F)(F)F","DJOVLOYCGXNVPI-UHFFFAOYSA-N",91623360,NA,"PDBC51228","788992","Present",NA,NA
+"51229","OJEGKGGNZVAUDI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OJEGKGGNZVAUDI-UHFFFAOYSA-N",NA,"CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)O","OJEGKGGNZVAUDI-UHFFFAOYSA-N",385340,NA,"PDBC51229","676458","Present",NA,NA
+"51230","OJPUAKBCOCCESD-UHFFFAOYSA-M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OJPUAKBCOCCESD-UHFFFAOYSA-M",NA,"C1CC[N+](C1)(CC#N)CC2=CC=CC=N2.C1=CC=C(C=C1)S(=O)(=O)[O-]","OJPUAKBCOCCESD-UHFFFAOYSA-M",5458873,NA,"PDBC51230","368733","Present",NA,NA
+"51231","OKVIIDPNUHUPCM-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OKVIIDPNUHUPCM-UHFFFAOYSA-N",NA,"C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=C(C=C4)C(=O)NC(CO)CO)C=C(C=C2)[N+](=O)[O-])CCl","OKVIIDPNUHUPCM-UHFFFAOYSA-N",390505,NA,"PDBC51231","687937","Present",NA,NA
+"51232","ON-123300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ON-123300",NA,"CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C=C(C(=O)N(C4=N3)C5CCCC5)C#N","VADOZMZXXRBXNY-UHFFFAOYSA-N",56649281,NA,"PDBC51232","802100","Present",NA,NA
+"51233","ONX-0801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ONX-0801",NA,"C#CCN(C1CCC2=CC3=C(C=C12)C(=O)NC(=N3)CO)C4=CC=C(C=C4)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O","NVHRBQOZEMFKLD-QRKINALSSA-N",135817419,NA,"PDBC51233","764764","Present",NA,NA
+"51234","ONX-0805",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ONX-0805",NA,"C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC=C(O4)C5=NC(=NC=C5)NC(=C3)C=C2","NNXDIGHYPZHXTR-ONEGZZNKSA-N",16750271,NA,"PDBC51234","772920","Present",NA,NA
+"51235","ONX-0914 TFA salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ONX-0914",NA,"CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC(CC2=CC=CC=C2)C(=O)C3(CO3)C)NC(=O)CN4CCOCC4","WQAVPPWWLLVGFK-UPRQWNBRSA-N",89417058,NA,"PDBC51235","762152","Present",NA,NA
+"51236","OP449",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OP449",NA,NA,NA,NA,NA,"PDBC51236","781429","Present",NA,NA
+"51237","OR1785T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OR1785T",NA,"C1=CC(=C(C=C1C=CC2=C(C=CC(=C2)O)O)C(=O)O)O","AYPFKZQQTSLEJG-HNQUOIGGSA-N",5353259,NA,"PDBC51237","655253","Present",NA,NA
+"51238","OR305509",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OR305509",NA,"CC1C(=O)C(=C2C1(C3=C(C=CC4=C3C2=C(C=C4)C)C)O)C","BBRNUTRKWSLVBB-UHFFFAOYSA-N",393209,NA,"PDBC51238","694697","Present",NA,NA
+"51239","OSU-03013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OSU-03013",NA,"C1=CC=C2C(=C1)C=CC3=C2C=CC(=C3)C4=CC(=NN4C5=CC=C(C=C5)N=C(N)N)C(F)(F)F","UCOYIUOEXIYJFD-UHFFFAOYSA-N",10343467,NA,"PDBC51239","756658","Present",NA,NA
+"51240","OT-82",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OT-82",NA,"C1=CC(=CC=C1C#CC2=C(C=CC(=C2)C(=O)NCCCC3=CNN=C3)C4=CC=NC=C4)F","CEPAXRIKSUXHHB-UHFFFAOYSA-N",118203189,NA,"PDBC51240","826040","Present",NA,NA
+"51241","OTATUOZZYQVDES-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OTATUOZZYQVDES-UHFFFAOYSA-N",NA,"C1=CC=NC(=C1)C(=O)C2=NC(=NC3=C2C=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl","OTATUOZZYQVDES-UHFFFAOYSA-N",362931,NA,"PDBC51241","627407","Present",NA,NA
+"51242","OTS-964",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OTS-964",NA,"CC1=CC(=C(C2=C1NC(=O)C3=C2C=CS3)C4=CC=C(C=C4)C(C)CN(C)C)O","XCFRUAOZMVFDPQ-AWEZNQCLSA-N",67448186,NA,"PDBC51242","787880","Present",NA,NA
+"51243","OTZHQSYUHGJWSQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OTZHQSYUHGJWSQ-UHFFFAOYSA-N",NA,"CC1=CC2=NC3=NC4=CC=CC=C4N=C3N2C=C1","OTZHQSYUHGJWSQ-UHFFFAOYSA-N",370915,NA,"PDBC51243","644717","Present",NA,NA
+"51244","OVB3-PE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OVB3-PE",NA,NA,NA,NA,NA,"PDBC51244","623433","Present",NA,NA
+"51245","OWWXIRVQYPEQML-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OWWXIRVQYPEQML-UHFFFAOYSA-N",NA,"CC(C)N1CC2CN(CC(C1)C2=O)CC3=CC=CC=C3","OWWXIRVQYPEQML-UHFFFAOYSA-N",367171,NA,"PDBC51245","636665","Present",NA,NA
+"51246","Obovatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Obovatine",NA,"CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=CC(=C5C6=C(C=CC7=C6NC8=C7CCN9CC1CC(C9C8(C1)C(=O)OC)CC)OC)O)C(=O)OC","IODACEQTCDJDBL-LSIICPEOSA-N",387126,NA,"PDBC51246","680530","Present",NA,NA
+"51247","Obscurolide A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Obscurolide A2",NA,"CC(C=CC1C(CC(=O)O1)NC2=CC=C(C=C2)C=O)O","RYJWSNUDETVRFF-FARCUNLSSA-N",5467708,NA,"PDBC51247","657963","Present",NA,NA
+"51248","Ochraceolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ochraceolide A",NA,"CC1(C2CCC3(C(C2(CCC1=O)C)CCC4C3(CCC5(C4C6C(C5)OC(=O)C6=C)C)C)C)C","YCZVTFNLKYNKPH-JLHSILEKSA-N",386922,NA,"PDBC51248","680072","Present",NA,NA
+"51249","Oct-2-ynyl 2-diazo-2-diphenylphosphoryl-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-2-(diphenylphosphoryl)-1-(oct-2-yn-1-yloxy)ethenolate",NA,"CCCCCC#CCOC(=O)C(=[N+]=[N-])P(=O)(C1=CC=CC=C1)C2=CC=CC=C2","UHTKGZIQTSOTIA-UHFFFAOYSA-N",379010,NA,"PDBC51249","662776","Present",NA,NA
+"51250","Octadecylphosphocholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"octadecylphosphocholine",NA,"CCCCCCCCCCCCCCCCCCOP(=O)([O-])OCC[N+](C)(C)C","ZBNJXSZNWZUYCI-UHFFFAOYSA-N",125219,NA,"PDBC51250","282880","Present",NA,NA
+"51251","Octahydro-1,4:5,8-diepoxynaphthalene-4a,8a-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665616///NSC665617",NA,"C1CC2C3(C4CCC(C3(C1O2)C(=O)O)O4)C(=O)O","RQHFXDCVBSUHLC-UHFFFAOYSA-N",273867,NA,"PDBC51251","665616///665617","Present",NA,NA
+"51252","Octahydro-1H,3H-isoxazolo[3,4-a]indolizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Octahydro-1H,3H-isoxazolo[3,4-a]indolizine",NA,"C1CCN2CC3CONC3C2C1","LHHRBIWZPVNRDS-UHFFFAOYSA-N",365496,NA,"PDBC51252","633174","Present",NA,NA
+"51253","Octahydro-2H-quinolizine-1-methanol palmitate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,6,7,8,9,9a-Octahydro-1H-quinolizin-1-ylmethyl hexadecanoate",NA,"CCCCCCCCCCCCCCCC(=O)OCC1CCCN2C1CCCC2","YLWCISRZRCPRIT-UHFFFAOYSA-N",3574666,NA,"PDBC51253","685526","Present",NA,NA
+"51254","Octahydro-2h-quinolizin-1-ylmethyl pyridine-4-carboxylate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Octahydro-2h-quinolizin-1-ylmethyl pyridine-4-carboxylate hydrochloride",NA,"C1CCN2CCCC(C2C1)COC(=O)C3=CC=NC=C3.Cl","KIPNBDUOVUEHKH-UHFFFAOYSA-N",390687,NA,"PDBC51254","688320","Present",NA,NA
+"51255","Octahydro-5bH-cyclopropa[cd]indene-5b-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Octahydro-5bH-cyclopropa[cd]indene-5b-carboxylic acid",NA,"C1CC2CCC3C2(C3C1)C(=O)O","IKGJMOHMGNULGI-UHFFFAOYSA-N",363361,NA,"PDBC51255","628244","Present",NA,NA
+"51256","Octamethyl 2,4-cycloheptadiene-1,1,2,3,4,5,6,7-octacarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclohepta-1,3-diene-1,2,3,4,5,5,6,7-octacarboxylic acid...",NA,"COC(=O)C1C(C(C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC)C(=O)OC","WXVSEVMFXFCFKU-UHFFFAOYSA-N",361816,NA,"PDBC51256","625133","Present",NA,NA
+"51257","Octanamide, 2-amino-N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hexyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Octanamide, 2-amino-N-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hexyl-",NA,"CCCCCCC(CCCCCC)(C(=O)NN1C(=CC=C1C)C)N","SYDFYTUGXOUCAB-UHFFFAOYSA-N",380384,NA,"PDBC51257","665899","Present",NA,NA
+"51258","Octane;pentane-2,4-dione;tin(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644936",NA,"CCCCCCC[CH2-].CCCCCCC[CH2-].CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.[Sn+4]","MTBVDKSFTCGOTN-UHFFFAOYSA-N",371041,NA,"PDBC51258","644936","Present",NA,NA
+"51259","Octanethio isosampangine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"octylsulfanyl[?]one",NA,"CCCCCCCCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","QPRWVOZNAPWHKA-UHFFFAOYSA-N",46854321,NA,"PDBC51259","723388","Present",NA,NA
+"51260","Octoxinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triton x",NA,"CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO","JYCQQPHGFMYQCF-UHFFFAOYSA-N",5590,NA,"PDBC51260","406472","Present",NA,NA
+"51261","Octreotide (acetate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sandostatin",NA,"CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)C(CC5=CC=CC=C5)N)C(=O)NC(CO)C(C)O)O.CC(=O)O","XQEJFZYLWPSJOV-UHFFFAOYSA-N",383413,NA,"PDBC51261","672461","Present",NA,NA
+"51262","Octyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Octyl 1-dodecyl-5-hydroxy-3-methyl-1H-pyrazole-4-carbodithioate",NA,"CCCCCCCCCCCCN1C(=O)C(=C(N1)C)C(=S)SCCCCCCCC","LRLGLEQMLRPVTP-UHFFFAOYSA-N",370530,NA,"PDBC51262","643757","Present",NA,NA
+"51263","Octyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Octyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride",NA,"CCCCCCCCOC(=O)C1=C(NC(=C1C)C=C2C(=CC(=N2)C3=CC=CN3)OC)C.Cl","WXICJNNYNGCHPJ-YNYSCKANSA-N",136040164,NA,"PDBC51263","753664","Present",NA,NA
+"51264","Octyl gallate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"progallin o",NA,"CCCCCCCCOC(=O)C1=CC(=C(C(=C1)O)O)O","NRPKURNSADTHLJ-UHFFFAOYSA-N",61253,NA,"PDBC51264","97419","Present",NA,NA
+"51265","Odoroside H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Odoroside H",NA,"CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)O)OC)O","VPUNMTHWNSJUOG-QWKCNQPQSA-N",24202596,NA,"PDBC51265","707148","Present",NA,NA
+"51266","Oil Orange ss",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oil Orange SS",NA,"CC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O","BQFCCCIRTOLPEF-UHFFFAOYSA-N",17550,NA,"PDBC51266","58044","Present",NA,NA
+"51267","Oil Red EGN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oil red ob",NA,"CC1=CC=CC=C1N=NC2=C(C=C(C(=C2)C)N=NC3=C(C=CC4=CC=CC=C43)O)C","NRBKWAQSLYBVSG-UHFFFAOYSA-N",62541,NA,"PDBC51267","115877","Present",NA,NA
+"51268","Okinonellin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Okinonellin B",NA,"CC1C(C(OC1=O)CC(=C)CCCC(=CC=CC(C)CCCC2=COC=C2)C)O","RJBUJQUSGFZAMF-ZGKSJMQASA-N",5470431,NA,"PDBC51268","701649","Present",NA,NA
+"51269","Oldagen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oldagen",NA,"C1CN(CCN(C1)CCO)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl","JQOGQVPDLQTZQC-UHFFFAOYSA-N",54610478,NA,"PDBC51269","169880","Present",NA,NA
+"51270","Oleaside A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oleaside A",NA,"CC1C(C(CC(O1)OC2CCC3(C(C2)CCC45C3CCC(C4=O)(C(CC5)C6=CC(=O)OC6)C)C)OC)O","DFDVWAJDFYYBAC-UHFFFAOYSA-N",434211,NA,"PDBC51270","345646","Present",NA,NA
+"51271","Oleficin, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oleficin, disodium salt",NA,"CC1C(C(CC(O1)OC(C(C)C)C(C)C=C(C)C=CC=CC=CC=CC=CC(=C2C(=O)C(N(C2=O)C)CCC(=O)O)O)O)O.[Na+]","FUPDRQDXZCLODS-MORYQLHFSA-N",54708171,NA,"PDBC51271","611000","Present",NA,NA
+"51272","Oleic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"red oil",NA,"CCCCCCCCC=CCCCCCCCC(=O)O","ZQPPMHVWECSIRJ-KTKRTIGZSA-N",445639,NA,"PDBC51272","9856","Present",NA,NA
+"51273","Oligomycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oligomycin B",NA,"CCC1CCC2C(C(C(C3(O2)C(=O)CC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C","QPRQJOHKNJIMGN-CPQVXFHYSA-N",5472286,NA,"PDBC51273","717695","Present",NA,NA
+"51274","Oligomycin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oligomycin C",NA,"CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)C)C)O)C)C)O)C)C","CMMLZMMKTYEOKV-HQCSJJBPSA-N",5472287,NA,"PDBC51274","717696","Present",NA,NA
+"51275","Oliverine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oliverine",NA,"CN1CCC2=CC3=C(C4=C2C1C(C5=C4C=CC(=C5)OC)OC)OCO3.Cl","XCRFUDLMWTVMSG-UHFFFAOYSA-N",24198103,NA,"PDBC51275","287450","Present",NA,NA
+"51276","Oliveroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oliveroline",NA,"CN1CCC2=CC3=C(C4=C2C1C(C5=CC=CC=C54)O)OCO3.Cl","SMCWYRTZZQNLFM-UHFFFAOYSA-N",3085243,NA,"PDBC51276","287451","Present",NA,NA
+"51277","Olivomycin Transformation",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Olivomycin Transformation",NA,"CC1C(C(CC(O1)OC2C(CC3=CC4=CC(=CC(=C4C(=C3C2=O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC)O)OC(=O)C)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)O","VOCVKOYZZDEWNO-KLYDQOSYSA-N",54610760,NA,"PDBC51277","274539","Present",NA,NA
+"51278","Olmesartan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Olmesartan",NA,NA,"CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)O)C(C)(C)O","VTRAEEWXHOVJFV-UHFFFAOYSA-N",158781,NA,"PDBC51278",NA,"Absent",NA,NA
+"51279","Olmutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"olmutinib///BI-1482694",NA,"CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)SC=C4","FDMQDKQUTRLUBU-UHFFFAOYSA-N",54758501,NA,"PDBC51279","792848///800980","Present",NA,NA
+"51280","Olomoucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"olomoucine",NA,"CN1C=NC2=C(N=C(N=C21)NCCO)NCC3=CC=CC=C3","GTVPOLSIJWJJNY-UHFFFAOYSA-N",4592,NA,"PDBC51280","666096","Present",NA,NA
+"51281","Olutasidenib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FT-2102",NA,"CC(C1=CC2=C(C=CC(=C2)Cl)NC1=O)NC3=CC=C(N(C3=O)C)C#N","NEQYWYXGTJDAKR-JTQLQIEISA-N",118955396,NA,"PDBC51281","818621","Present",NA,NA
+"51282","Ombrabulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ombrabulin",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C(CO)N","IXWNTLSTOZFSCM-YVACAVLKSA-N",6918405,NA,"PDBC51282","778448","Present",NA,NA
+"51283","Omdpi",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PX-316",NA,"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(CC(C(C1O)O)O)O)OC","GJZGRYXGQBWBEB-AVMFAVRISA-N",399457,NA,"PDBC51283","710297","Present",NA,NA
+"51284","Oncocalyxone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oncocalyxone A",NA,"CC12CC3=C(C=C1C(=CCC2O)CO)C(=O)C=C(C3=O)OC","MRGIIGDGPRVYJG-WBVHZDCISA-N",404386,NA,"PDBC51284","720597","Present",NA,NA
+"51285","Ondansetron hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ondansetron Hydrochloride",NA,"CC1=NC=CN1CC2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl","MKBLHFILKIKSQM-UHFFFAOYSA-N",68647,NA,"PDBC51285","665799","Present",NA,NA
+"51286","Oosporein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oosporin",NA,"CC1=C(C(=O)C(=C(C1=O)O)C2=C(C(=O)C(=C(C2=O)O)C)O)O","DHMPJEGFPQTNFX-UHFFFAOYSA-N",135426831,NA,"PDBC51286","88466","Present",NA,NA
+"51287","Opera_ID_1221",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Opera_ID_1221",NA,"C1=CC=C(C(=C1)C(=O)CC2(C3=CC=CC=C3NC2=O)O)O","UAEJHGCEFAFLIJ-UHFFFAOYSA-N",359743,NA,"PDBC51287","621189","Present",NA,NA
+"51288","Opipramol dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Opipramol dihydrochloride",NA,NA,"C1CN(CCN1CCCN2C3=CC=CC=C3C=CC4=CC=CC=C42)CCO.Cl.Cl","DLTOEESOSYKJBK-UHFFFAOYSA-N",71587,NA,"PDBC51288",NA,"Absent",NA,NA
+"51289","Oragrafin Sodium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"biloptin",NA,"CN(C)C=NC1=C(C=C(C(=C1I)CCC(=O)O)I)I.[Na+]","ZFHZUGUCWJVEQC-UHFFFAOYSA-N",16051997,NA,"PDBC51289","106962","Present",NA,NA
+"51290","Orange Astrazon R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nabor orange r",NA,"CC1(C2=CC=CC=C2[N+](=C1C=CC3=C(N(C4=CC=CC=C43)C)C5=CC=CC=C5)C)C","VEIQMIFGPISKCW-UHFFFAOYSA-N",135436499,NA,"PDBC51290","4434","Present",NA,NA
+"51291","Orbinamon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC108165///NSC757350",NA,"CN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C","GFBKORZTTCHDGY-UFWORHAWSA-N",941650,NA,"PDBC51291","108165///757350","Present",NA,NA
+"51292","Orcein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,8-bis(2,4-dihydroxy-6-methylphenylamino)-1,9-dimethyld...",NA,"CC1=CC(=CC(=C1NC2=C(C3=C(C=C2O)OC4=CC(=O)C(=NC5=C(C=C(C=C5C)O)O)C(=C43)C)C)O)O","QFIIYGZAUXVPSZ-UHFFFAOYSA-N",72685,NA,"PDBC51292","610930","Present",NA,NA
+"51293","Orelabrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Orelabrutinib",NA,"C=CC(=O)N1CCC(CC1)C2=NC(=C(C=C2)C(=O)N)C3=CC=C(C=C3)OC4=CC=CC=C4","MZPVEMOYADUARK-UHFFFAOYSA-N",91667513,NA,"PDBC51293","826039","Present",NA,NA
+"51294","Oridonin (thiol adduct OF)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ORIDONIN (THIOL ADDUCT OF)",NA,"CCCCCCCSCC1C2CCC3C45COC(C3(C2O)C1=O)(C(C4C(CCC5O)(C)C)O)O","SAHCNJNBEXQOTH-UHFFFAOYSA-N",432952,NA,"PDBC51294","319730","Present",NA,NA
+"51295","Ortho Betaine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ortho Betaine",NA,"CC1=CC(=C(C(=C1)[N+]2=C(C=C(C=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[O-])C","QOTGVYBPXSCGMG-UHFFFAOYSA-N",364982,NA,"PDBC51295","631884","Present",NA,NA
+"51296","Ortho-topolin riboside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ortho-topolin riboside",NA,"C1=CC=C(C(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)O","URVCVGNFSZHAOA-UHFFFAOYSA-N",13506406,NA,"PDBC51296","736740","Present",NA,NA
+"51297","Oryzalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"surflan",NA,"CCCN(CCC)C1=C(C=C(C=C1[N+](=O)[O-])S(=O)(=O)N)[N+](=O)[O-]","UNAHYJYOSSSJHH-UHFFFAOYSA-N",29393,NA,"PDBC51297","648479","Present",NA,NA
+"51298","Osirisyne A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Osirisyne A",NA,"C#CC(C=CC(CCCC(CC#CC(C#CC(CCCC(C=CCCCCCC(=O)CCCCCCCCCCCCCC(C(C#CC(=O)O)O)O)O)O)O)O)O)O","WQBFBFNWOXQTCY-BRMFWMODSA-N",5470164,NA,"PDBC51298","698229","Present",NA,NA
+"51299","Osirisyne B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Osirisyne B",NA,"C#CC(C=CC(CCCC(CC#CC(C#CCCCCC(C=CCCCCCC(=O)CCCCCCCCCCCCCC(C(C#CC(=O)O)O)O)O)O)O)O)O","DHSSYQMKWZSZRR-UAPJGMTNSA-N",5470165,NA,"PDBC51299","698230","Present",NA,NA
+"51300","Osirisyne C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Osirisyne C",NA,"C#CC(C=CC(CCCC(CC#CC(C#CC(CCCC(C=CCCCC(=O)CCCCCCCCCCCCCCCC(C(C#CC(=O)O)O)O)O)O)O)O)O)O","VOVIZIGRYJWSMB-BRMFWMODSA-N",5470166,NA,"PDBC51300","698231","Present",NA,NA
+"51301","Osirisyne D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Osirisyne D",NA,"C#CC(C=CC(CCCC(CC#CC(C#CCCCCC(C=CCCCC(=O)CCCCCCCCCCCCCCCC(C(C#CC(=O)O)O)O)O)O)O)O)O","USYFRMJGFGCOEV-OTNHXOQOSA-N",5470167,NA,"PDBC51301","698232","Present",NA,NA
+"51302","Osirisyne E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Osirisyne E",NA,"C#CC(C=CC(CCCC(CC#CC(C#CCCCCC(C=CCCCC(C=CCCCCCCCCCCCCCC(C(C#CC(=O)O)O)O)O)O)O)O)O)O","NIZILVGZRWGVQW-FRAQYRCGSA-N",5470168,NA,"PDBC51302","698233","Present",NA,NA
+"51303","Ossamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ossamycin",NA,"CCC(CC1CCCC2(O1)CC3C(C(O2)CC4(C(CC(O4)(C)C)C=CCCCCCC(C(C(C(C(C(C(C=CC(=O)O3)(C)O)O)C)O)OC5CCC(C(O5)C)N(C)C)O)(C)O)O)C)O","XGECDDPXIKFBTE-ZVNFYDRVSA-N",5351598,NA,"PDBC51303","76627","Present",NA,NA
+"51304","Osthenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Osthenol",NA,"CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)O)C","RAKJVIPCCGXHHS-UHFFFAOYSA-N",5320318,NA,"PDBC51304","625328","Present",NA,NA
+"51305","Ostreogrycin a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC244426///NSC87432",NA,"CC1C=CC(=O)NCC=CC(=CC(CC(=O)CC2=NC(=CO2)C(=O)N3CCC=C3C(=O)OC1C(C)C)O)C","DAIKHDNSXMZDCU-RLJJXFIZSA-N",5354042,NA,"PDBC51305","244426///87432","Present",NA,NA
+"51306","Otenzepad",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Otenzepad",NA,"CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4","UBRKDAVQCKZSPO-UHFFFAOYSA-N",107867,NA,"PDBC51306","664529","Present",NA,NA
+"51307","Otophylloside glycoside (kunming)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OTOPHYLLOSIDE GLYCOSIDE (KUNMING)",NA,"CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4CCC5(C6CC(C7(C(CCC7(C6(CC=C5C4)O)O)(C(=O)C)O)C)OC(=O)C8=CC=C(C=C8)O)C)C)C)OC)O.CC(=O)C1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C5=CC=C(C=C5)O)C)O)O","QQTGOJBVMPRAPO-UHFFFAOYSA-N",435956,NA,"PDBC51307","379667","Present",NA,NA
+"51308","Oudenone K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oudenone k",NA,"CCCC1CCC(=C2C(=O)CCC2=O)O1.[K+]","CDHRIHSLIMKXKU-UHFFFAOYSA-N",5458488,NA,"PDBC51308","252926","Present",NA,NA
+"51309","Ovalicine subst.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ovalicine subst.",NA,"CC(=CCC1C(O1)(C)C2(C(C(=O)CCC23CO3)OC)O)C","NESRXFGQJARQNM-UHFFFAOYSA-N",284995,NA,"PDBC51309","141538","Present",NA,NA
+"51310","Ovatifolin acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ovatifolin acetate",NA,"CC1=CC2C(C(CC(=CCC1)COC(=O)C)OC(=O)C)C(=C)C(=O)O2","XHXJJRRYKOSPKP-IFXYYXOISA-N",5358419,NA,"PDBC51310","251668","Present",NA,NA
+"51311","Oxa-glycol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC645594",NA,"CC1C(=O)N2CCS(=O)(=O)N3CCCC3C2(O1)O","QOSWFGIZVQRPNU-OYNCUSHFSA-N",126099,NA,"PDBC51311","645594","Present",NA,NA
+"51312","Oxalic acid;2-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-{2-[4-(3-Phenylpropyl)piperazin-1-yl]ethyl}aniline ethanedioate",NA,"C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC=CC=C3N.C(=O)(C(=O)O)O","WOTDLFASHYDOSH-UHFFFAOYSA-N",401853,NA,"PDBC51312","715558","Present",NA,NA
+"51313","Oxalic acid;3-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{2-[4-(3-Phenylpropyl)piperazin-1-yl]ethyl}aniline ethanedioate",NA,"C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC(=CC=C3)N.C(=O)(C(=O)O)O","FHMOQXPULHHSHR-UHFFFAOYSA-N",401855,NA,"PDBC51313","715559","Present",NA,NA
+"51314","Oxalic acid;4-[2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-{2-[4-(3-Phenylpropyl)piperazin-1-yl]ethyl}aniline ethanedioate",NA,"C1CN(CCN1CCCC2=CC=CC=C2)CCC3=CC=C(C=C3)N.C(=O)(C(=O)O)O","UOFZGYXIKXKGDS-UHFFFAOYSA-N",401849,NA,"PDBC51314","715556","Present",NA,NA
+"51315","Oxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"OXAMIDE",NA,"C(=O)(C(=O)N)N","YIKSCQDJHCMVMK-UHFFFAOYSA-N",10113,NA,"PDBC51315","2770","Present",NA,NA
+"51316","Oxanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxanosine",NA,"C1=NC2=C(N1C3C(C(C(O3)CO)O)O)N=C(OC2=O)N","PWVUOVPUCZNICU-UHFFFAOYSA-N",338182,NA,"PDBC51316","359452","Present",NA,NA
+"51317","Oxanthrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxanthrazole",NA,"C1=CC(=NCCCN)C2=C(C3=C(C=CC(=O)C3=C4C2=C1N(N4)CCNCCO)O)O.Cl","AWVHFDOHKFRHKQ-UHFFFAOYSA-N",135502299,NA,"PDBC51317","349174","Present",NA,NA
+"51318","Oxazolidine, 2-ethyl-3-isopropyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxazolidine, 2-ethyl-3-isopropyl-",NA,"CCC1N(CCO1)C(C)C","ZTZCQKQDVOHJEH-UHFFFAOYSA-N",247387,NA,"PDBC51318","61862","Present",NA,NA
+"51319","Oxazolo[2,3-f]purine-2,4(1H,3H)-dione, 6-(chloromethyl)-6,7-dihydro-1,3-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxazolo[2,3-f]purine-2,4(1H,3H)-dione, 6-(chloromethyl)-6,7-dihydro-1,3-dimethyl-",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C(COC3=N2)CCl","GNPSCJBKYWYTEV-UHFFFAOYSA-N",368739,NA,"PDBC51319","639883","Present",NA,NA
+"51320","Oxf BD 02",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,5-dimethylisoxazol-4-yl)-5-(hydroxy(phenyl)methyl)p...",NA,"CC1=C(C(=NO1)C)C2=CC(=CC(=C2)O)C(C3=CC=CC=C3)O","FEQUIPXIENTMJN-UHFFFAOYSA-N",56929801,NA,"PDBC51320","772561","Present",NA,NA
+"51321","Oxfendazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxfendazole (usan)",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3","BEZZFPOZAYTVHN-UHFFFAOYSA-N",40854,NA,"PDBC51321","758943","Present",NA,NA
+"51322","Oxiconazole nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxiconazole nitrate (usan)",NA,"C1=CC(=C(C=C1Cl)Cl)CON=C(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]","WVNOAGNOIPTWPT-NDUABGMUSA-N",9556529,NA,"PDBC51322","758958","Present",NA,NA
+"51323","Oxidanium;azane;cobalt(3+);acetate;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrammineaquoacetatocobalt(III)perchlorate",NA,"CC(=O)[O-].N.N.N.N.[OH3+].[O-]Cl(=O)(=O)=O.[Co+3]","ODUBOVIWQXKFFM-UHFFFAOYSA-M",24202154,NA,"PDBC51323","630656","Present",NA,NA
+"51324","Oxidanium;zinc;2-(2-carboxylatoanilino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxidanium;zinc;2-(2-carboxylatoanilino)benzoate",NA,"C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2C(=O)[O-].[OH3+].[Zn+2]","KBTXGJMBCWQUNY-UHFFFAOYSA-M",24202387,NA,"PDBC51324","646290","Present",NA,NA
+"51325","Oxidanium;zinc;2-[(E)-carbamoylazanidyliminomethyl]-6-methoxyphenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638267",NA,"COC1=CC=CC(=C1[O-])C=N[N-]C(=O)N.[OH3+].[Zn+2]","XOGPFWIPNNQOIP-UHFFFAOYSA-M",24202303,NA,"PDBC51325","638267","Present",NA,NA
+"51326","Oxidopamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxidopamine",NA,"C1=C(C(=CC(=C1O)O)O)CCN.Cl","QLMRJHFAGVFUAC-UHFFFAOYSA-N",160157,NA,"PDBC51326","233898","Present",NA,NA
+"51327","Oximidine 189B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oximidine 189B",NA,"CON=CC=CC(=O)NC=CCC1C=CC(C=CC=CC2=C(C(=CC=C2)O)C(=O)O1)O","YILZDELPUIJTQG-QYPKZVLMSA-N",155815593,NA,"PDBC51327","801657","Present",NA,NA
+"51328","Oxindole-Based Inhibitor 20",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW280670X",NA,"C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)Cl)O)S(=O)(=O)N","ZERGASSJZLEYGD-UHFFFAOYSA-N",135434965,NA,"PDBC51328","756201","Present",NA,NA
+"51329","Oxindole-Based Inhibitor 22",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW276655X",NA,"C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)C4=CN=CO4)O)S(=O)(=O)N","XWSWBBJOBJLNNN-UHFFFAOYSA-N",135418490,NA,"PDBC51329","756198","Present",NA,NA
+"51330","Oxindole-Based Inhibitor 66",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW300653X",NA,"CC(C)C1=CC2=C(C=C1)C(=C(N2)O)N=NC3=CC=C(C=C3)S(=O)(=O)N","BXOSDELNTKJOFY-UHFFFAOYSA-N",135434994,NA,"PDBC51330","756211","Present",NA,NA
+"51331","Oxindole-Based Inhibitor 72",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW279320X",NA,"CC1=CC(=CC2=C1NC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)N)O)Cl","UPAYQAVEXCQREB-UHFFFAOYSA-N",135434999,NA,"PDBC51331","756200","Present",NA,NA
+"51332","Oxiran-2-ylmethyl thiophene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thiophenecarboxylic acid, oxiranylmethyl ester",NA,"C1C(O1)COC(=O)C2=CC=CS2","ZKZQFILNHCVSPG-UHFFFAOYSA-N",361498,NA,"PDBC51332","624535","Present",NA,NA
+"51333","Oxis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Formoterol Fumarate",NA,"CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O.C(=CC(=O)O)C(=O)O","ZDUPYZMAPCZGJO-WLHGVMLRSA-N",9912089,NA,"PDBC51333","299587","Present",NA,NA
+"51334","Oxotremorine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxotremorin",NA,"C1CCN(C1)CC#CCN2CCCC2=O","RSDOPYMFZBJHRL-UHFFFAOYSA-N",4630,NA,"PDBC51334","330497","Present",NA,NA
+"51335","Oxycanthine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxyacanthine///oxycanthine",NA,"CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)OC)OC","HGNHIFJNOKGSKI-UHFFFAOYSA-N",371257,NA,"PDBC51335","645315///93135","Present",NA,NA
+"51336","Oxyimperatorin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Heraclenin",NA,"CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C","CTJZWFCPUDPLME-UHFFFAOYSA-N",182251,NA,"PDBC51336","92228","Present",NA,NA
+"51337","Oxymorphol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxyoxymorphone",NA,"CN1CCC23C4C(CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)O","AABLHGPVOULICI-ZOFKVTQNSA-N",6712731,NA,"PDBC51337","707489","Present",NA,NA
+"51338","Oxymorphonazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxymorphonazine",NA,"CN1CCC23C4C(=NN=C5CCC6(C7CC8=C9C6(C5OC9=C(C=C8)O)CCN7C)O)CCC2(C1CC1=C3C(=C(C=C1)O)O4)O","WKXKOQQVFYOJBC-UHFFFAOYSA-N",163346,NA,"PDBC51338","612111","Present",NA,NA
+"51339","Oxyphenisatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Critex",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","SJDACOMXKWHBOW-UHFFFAOYSA-N",31315,NA,"PDBC51339","59814","Present",NA,NA
+"51340","Oxypurinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dhpp",NA,"C1=NNC2=C1C(=O)NC(=O)N2","HXNFUBHNUDHIGC-UHFFFAOYSA-N",135398752,NA,"PDBC51340","76239","Present",NA,NA
+"51341","Oxyridazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxyridazine",NA,"CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)OC","QOJDAWZHQLNKDR-UHFFFAOYSA-N",65612,NA,"PDBC51341","186057","Present",NA,NA
+"51342","Oxytakatonine Iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxytakatonine Iodide",NA,"C[N+]1=C(C2=CC(=C(C(=C2C=C1)OC)OC)OC)C(=O)C3=CC=C(C=C3)OC.[I-]","BGYSCPUACSICRD-UHFFFAOYSA-M",370338,NA,"PDBC51342","643238","Present",NA,NA
+"51343","P,P-Diphenyl-N-(1-phenylethyl)phosphinic amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WFZGOJVHXZLREL-UHFFFAOYSA-N",NA,"CC(C1=CC=CC=C1)NP(=O)(C2=CC=CC=C2)C3=CC=CC=C3","WFZGOJVHXZLREL-UHFFFAOYSA-N",376265,NA,"PDBC51343","656971","Present",NA,NA
+"51344","P-Ara-C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-ara-c",NA,"CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O","SHBAKEKBTCPUFI-UHFFFAOYSA-N",282479,NA,"PDBC51344","135962","Present",NA,NA
+"51345","P-Cyanobenzylidene bis-barbiturate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P-Cyanobenzylidene bis-barbiturate",NA,"C1=CC(=CC=C1C#N)C(C2C(=O)NC(=O)NC2=O)C3C(=O)NC(=O)NC3=O","GJIPWMKMTGHELE-UHFFFAOYSA-N",370543,NA,"PDBC51345","643770","Present",NA,NA
+"51346","P-Dioxane,5-bis[(benzoyloxymercuri)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mp 317",NA,"C1C(OCC(O1)C[Hg]OC(=O)C2=CC=CC=C2)C[Hg]OC(=O)C3=CC=CC=C3","WDBSOHIEPCJJME-UHFFFAOYSA-L",16683647,NA,"PDBC51346","30916","Present",NA,NA
+"51347","P-Hydroxy-A-10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P-hydroxy-A-10",NA,"C1CC(=O)NC(=O)C1NC(=O)CC2=CC=C(C=C2)O","FCRKQAZMQDVASM-UHFFFAOYSA-N",367298,NA,"PDBC51347","636857","Present",NA,NA
+"51348","P-Isopropylcalix[4]arene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"form IIIp",NA,"CC(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)C)C2)O)C(C)C)C(C)C)O","UHLRPXXFPYMCAE-UHFFFAOYSA-N",366247,NA,"PDBC51348","634594","Present",NA,NA
+"51349","P-Toluenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tosylamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)N","LMYRWZFENFIFIT-UHFFFAOYSA-N",6269,NA,"PDBC51349","9908","Present",NA,NA
+"51350","PAPA NONOate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-propylpropaneciamine Nitric Oxide Adduct",NA,"CCCN(CCCN)[N+](=NO)[O-]","QODRTFHTYGHQMT-CSKARUKUSA-N",135465810,NA,"PDBC51350","634220","Present",NA,NA
+"51351","PARTHENOLIDE, 9B-ACETOXY-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PARTHENOLIDE, 9B-ACETOXY-",NA,"CC1=CCCC2(C(O2)C3C(CC1OC(=O)C)C(=C)C(=O)O3)C","QMKVWBGFFNUWNW-RMKNXTFCSA-N",5358978,NA,"PDBC51351","292657","Present",NA,NA
+"51352","PBAVRHZEIQSWLN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PBAVRHZEIQSWLN-UHFFFAOYSA-N",NA,"C1CCN(C1)C2(CCC3(CC2)OCCO3)C#N","PBAVRHZEIQSWLN-UHFFFAOYSA-N",360976,NA,"PDBC51352","623707","Present",NA,NA
+"51353","PBDNTIFKUNPLTI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PBDNTIFKUNPLTI-UHFFFAOYSA-N",NA,"C1C(C2=C(N1C(=O)C3=CC4=C(N3)C=CC(=C4)N)C=C(C5=CC=CC=C52)N)CCl","PBDNTIFKUNPLTI-UHFFFAOYSA-N",392736,NA,"PDBC51353","693542","Present",NA,NA
+"51354","PC 254",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PC 254",NA,"CN1C=NC(=C1SC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)[N+](=O)[O-]","WJPLSTABBCGIQS-UHFFFAOYSA-N",237305,NA,"PDBC51354","40665","Present",NA,NA
+"51355","PC 287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PC 287",NA,"CCCN1C=NC2=C1N=C(N=C2SCC3=CC=CC=C3Cl)N","ZITJURWWDLKJNF-UHFFFAOYSA-N",239486,NA,"PDBC51355","44580","Present",NA,NA
+"51356","PC 298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PC 298",NA,"CC(C)CN1C=NC2=C1N=C(N=C2SC3=C(N=CN3C)[N+](=O)[O-])N","SEIMKLNUEAPZHV-UHFFFAOYSA-N",239491,NA,"PDBC51356","44585","Present",NA,NA
+"51357","PCNU",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PCNU",NA,"C1CC(=O)NC(=O)C1NC(=O)N(CCCl)N=O","KHWIRCOLWPNBJP-UHFFFAOYSA-N",26328,NA,"PDBC51357","95466","Present",NA,NA
+"51358","PD-1-IN-1 free base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aurigene Cmp 4",NA,"CC(C(C(=O)O)NC(=O)NC(CC(=O)N)C1=NC(=NO1)C(CO)N)O","HFOBENSCBRZVSP-LKXGYXEUSA-N",126843231,NA,"PDBC51358","799645","Present",NA,NA
+"51359","PD173955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PD173955",NA,NA,NA,NA,NA,NA,447077,NA,"PDBC51359",NA,"Absent",NA,NA
+"51360","PDSP1_001142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDSP1_001142",NA,"CN1CC(=O)N(C2=C(C1=O)N(C=N2)CC3=CC=CC=C3)C","STFRRLZKHLYUIY-UHFFFAOYSA-N",362128,NA,"PDBC51360","625661","Present",NA,NA
+"51361","PDSP1_001145",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDSP1_001145",NA,"CN1CC(=O)N(C2=C(C1=O)NC=N2)C","QXKVHCBHBWVMLE-UHFFFAOYSA-N",362127,NA,"PDBC51361","625660","Present",NA,NA
+"51362","PDSP1_001147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDSP1_001147",NA,"CCCN1C(=O)CNC(=O)C2=C1N=CN2","DJDLYCZLNSHLER-UHFFFAOYSA-N",363269,NA,"PDBC51362","628051","Present",NA,NA
+"51363","PDSP1_001384",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDSP1_001384",NA,"CC(C)C(CC(=O)OCC(CO)OC(=O)CC(C(C)C)C(C)C)C(C)C","DUMNUFPVNODRSI-UHFFFAOYSA-N",6712639,NA,"PDBC51363","703752","Present",NA,NA
+"51364","PDSP1_001797",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PDSP1_001797",NA,"CCC(=O)NCCC1=CNC2=C1C=C(C=C2)OC","VXGNHTKZJOTYNZ-UHFFFAOYSA-N",395810,NA,"PDBC51364","700698","Present",NA,NA
+"51365","PEG ETOPOSIDE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PEG ETOPOSIDE",NA,NA,NA,NA,NA,"PDBC51365","745897","Present",NA,NA
+"51366","PF-06821497",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-06821497",NA,"CC1=CC(=C(C(=O)N1)CN2CCC3=C(C=C(C(=C3C2=O)Cl)C(C4COC4)OC)Cl)OC","RXCVUHMIWHRLDF-HXUWFJFHSA-N",118572065,NA,"PDBC51366","800019","Present",NA,NA
+"51367","PF-06840003",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-06840003",NA,"C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F","MXKLDYKORJEOPR-UHFFFAOYSA-N",23063810,NA,"PDBC51367","796100","Present",NA,NA
+"51368","PF-06952229",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-06952229",NA,"CC(C)C1=CN=C(C=C1NC2=C(C=NC=C2)C(=O)NC(CO)CO)C3=C(C=CC(=C3)Cl)F","IPBLCOKXDQHSQW-UHFFFAOYSA-N",118211239,NA,"PDBC51368","826119","Present",NA,NA
+"51369","PF-2771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-2771",NA,"CC(C)OC1=C(C=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)C3=CN(C(=N3)C(=O)C)C)CNC(=O)CN(C)C)Cl","VHBJNUOZEQTSNN-QHCPKHFHSA-N",118704759,NA,"PDBC51369","791648","Present",NA,NA
+"51370","PF-4942847",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-4942847",NA,"CC1=CC(=CC(=C1C2=NC(=NC3=C2CN(C3)C(=O)NCC(C)(F)F)N)OCCN4C=C(C=N4)F)Cl","IRGGXYIIIARJBD-UHFFFAOYSA-N",46174270,NA,"PDBC51370","772885","Present",NA,NA
+"51371","PF-4989216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-4989216",NA,"C1COCCN1C2=C(C(=C(S2)C3=NC=NN3)C4=C(C=C(C=C4)C#N)F)C#N","MUENOTXSRZEFJV-UHFFFAOYSA-N",51033720,NA,"PDBC51371","777877","Present",NA,NA
+"51372","PFLBXUFECVABME-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PFLBXUFECVABME-UHFFFAOYSA-N",NA,"CCCCN(CCCC)CCCN1C=NC2=C(C1=O)C=CC=N2","PFLBXUFECVABME-UHFFFAOYSA-N",360824,NA,"PDBC51372","623241","Present",NA,NA
+"51373","PG66.33",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PG66.33",NA,NA,NA,NA,NA,NA,"PDBC51373",NA,"Absent",NA,NA
+"51374","PHH6f",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHH6f",NA,"CCC=CC(CC)C=CCC1(CC(C(OO1)CC(=O)O)CC)CC","FMIORBKSNMSXGM-WRNZUPGYSA-N",5472497,NA,"PDBC51374","719626","Present",NA,NA
+"51375","PHT-427",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHT-427",NA,NA,NA,NA,NA,NA,44240850,NA,"PDBC51375",NA,"Absent",NA,NA
+"51376","PICEATANNOL,3,3',5'-TRIMETHYL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PICEATANNOL,3,3',5'-TRIMETHYL",NA,"COC1=CC(=CC(=C1)C=CC2=CC(=C(C=C2)O)OC)OC","QEHTYBCDRGQJGN-SNAWJCMRSA-N",5809575,NA,"PDBC51376","381281","Present",NA,NA
+"51377","PK 110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PK 110",NA,"C1=CC(=CC=C1CNC(=O)CN2C=CN=C2[N+](=O)[O-])F","DABKTULDOCZOAO-UHFFFAOYSA-N",132292,NA,"PDBC51377","644215","Present",NA,NA
+"51378","PKM2 (9)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PKM2 (9)",NA,"COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC5=C4N=CC=C5","OTIZXEVJWJRNLB-UHFFFAOYSA-N",49854703,NA,"PDBC51378","772991","Present",NA,NA
+"51379","PLX-51107",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PLX-51107",NA,"CC1=C(C(=NO1)C)C2=CC3=C(C(=CN3C(C)C4=CC=CC=N4)C5=CC=C(C=C5)C(=O)O)N=C2","AMSUHYUVOVCWTP-INIZCTEOSA-N",90448953,NA,"PDBC51379","806595","Present",NA,NA
+"51380","POE5E5Q5PZ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"POE5E5Q5PZ",NA,"CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","XTNSBPFEFLVLBC-UHFFFAOYSA-N",334473,NA,"PDBC51380","339704","Present",NA,NA
+"51381","POMHEX",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"POMHEX",NA,"CC(C)(C)C(=O)OCOP(=O)(C1CCCN(C1=O)O)OCOC(=O)C(C)(C)C","TVFIFFUSHZDTKT-UHFFFAOYSA-N",122540908,NA,"PDBC51381","784584","Present",NA,NA
+"51382","PPHQWNUDYSYGAC-WJDWOHSUSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PPHQWNUDYSYGAC-WJDWOHSUSA-N",NA,"CC1=NN(C(=O)C1=CC2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3","PPHQWNUDYSYGAC-WJDWOHSUSA-N",5367136,NA,"PDBC51382","619163","Present",NA,NA
+"51383","PQR-530",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PQR-530",NA,"CC1COCCN1C2=NC(=NC(=N2)N3CCOCC3)C4=CN=C(C=C4C(F)F)N","SYKBZXMKAPICSO-NSHDSACASA-N",121334433,NA,"PDBC51383","802821","Present",NA,NA
+"51384","PQR-620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PQR-620",NA,"C1CC2COCC1N2C3=NC(=NC(=N3)C4=CN=C(C=C4C(F)F)N)N5C6CCC5COC6","UGDKPWVVBKHRDK-KPWCQOOUSA-N",122412735,NA,"PDBC51384","794442","Present",NA,NA
+"51385","PQT-12",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PQT-12",NA,"CCCCCCCCCCCCC1=C(SC=C1)C2=CC=C(S2)C3=CC=C(S3)C4=C(C=CS4)CCCCCCCCCCCC","DZUNDTRLGXGTGU-UHFFFAOYSA-N",389751,NA,"PDBC51385","686347","Present",NA,NA
+"51386","PRECJJKQAFVGRJ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PRECJJKQAFVGRJ-UHFFFAOYSA-N",NA,"C1C(CO1)(CNC2=CC(=NC(=N2)N)Cl)CO","PRECJJKQAFVGRJ-UHFFFAOYSA-N",385214,NA,"PDBC51386","676327","Present",NA,NA
+"51387","PRM-123",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PRM-123",NA,NA,NA,NA,NA,NA,"PDBC51387",NA,"Absent",NA,NA
+"51388","PRN-1371",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PRN-1371",NA,"CNC1=NC=C2C=C(C(=O)N(C2=N1)CCCN3CCN(CC3)C(=O)C=C)C4=C(C(=CC(=C4Cl)OC)OC)Cl","PUIXMSRTTHLNKI-UHFFFAOYSA-N",118295624,NA,"PDBC51388","801089","Present",NA,NA
+"51389","PS426XRG1Y",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PS426XRG1Y",NA,"COC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3OC)OC","SQXGVTMBPLETQL-UHFFFAOYSA-N",248773,NA,"PDBC51389","66222","Present",NA,NA
+"51390","PS74.26",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PS74.26",NA,NA,NA,NA,NA,NA,"PDBC51390",NA,"Absent",NA,NA
+"51391","PSI-6206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PSI-6206",NA,"CC1(C(C(OC1N2C=CC(=O)NC2=O)CO)O)F","ARKKGZQTGXJVKW-VPCXQMTMSA-N",11311503,NA,"PDBC51391","796320","Present",NA,NA
+"51392","PT-2385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PT-2385",NA,"CS(=O)(=O)C1=C2C(C(CC2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)(F)F)O","ONBSHRSJOPSEGS-INIZCTEOSA-N",91754484,NA,"PDBC51392","787312","Present",NA,NA
+"51393","PT-2399",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PT-2399",NA,"C1C2=C(C=CC(=C2C(C1(F)F)O)S(=O)(=O)C(F)F)OC3=CC(=CC(=C3)C#N)F","MXUSGDMIHGLCNC-HNNXBMFYSA-N",91663289,NA,"PDBC51393","818435","Present",NA,NA
+"51394","PT-2a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PT-2a",NA,NA,NA,NA,NA,"PDBC51394","628604","Present",NA,NA
+"51395","PT2977",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PT2977",NA,"CS(=O)(=O)C1=C2C(C(C(C2=C(C=C1)OC3=CC(=CC(=C3)C#N)F)F)F)O","LOMMPXLFBTZENJ-ZACQAIPSSA-N",117947097,NA,"PDBC51395","825217","Present",NA,NA
+"51396","PTQSOJSHLVMMJD-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PTQSOJSHLVMMJD-UHFFFAOYSA-N",NA,"COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)F","PTQSOJSHLVMMJD-UHFFFAOYSA-N",5470012,NA,"PDBC51396","696101","Present",NA,NA
+"51397","PWT-33597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PWT-33597",NA,"CN(C)CCS(=O)(=O)NC1=CC=C(C=C1)C2=NC(=NC(=N2)N3CCOCC3)N4C5=C(C(=CC=C5)OC)N=C4C(F)F","GDCJHDUWWAKBIW-UHFFFAOYSA-N",46917355,NA,"PDBC51397","782362","Present",NA,NA
+"51398","PX-866",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC722134",NA,"CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C(=CN(CC=C)CC=C)C4=C(C3=O)O)COC)C)C","QIUASFSNWYMDFS-BMALJEQOSA-N",9914803,NA,"PDBC51398","722134","Present",NA,NA
+"51399","PXHNUIFNBQOCSX-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PXHNUIFNBQOCSX-UHFFFAOYSA-N",NA,"C=CCC1=CC=CC2=C1OC(=N)C(=C2)C(=O)NCC3=CC=CC=C3","PXHNUIFNBQOCSX-UHFFFAOYSA-N",395952,NA,"PDBC51399","701076","Present",NA,NA
+"51400","PYRANOPYRIMIDINE DERIVATIVES",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PYRANOPYRIMIDINE DERIVATIVES",NA,"COC1=CC=C(C=C1)C=C2C(=O)N3C(C4=C(C5=C(C=CC(=C5)F)OC4)N=C3S2)C6=CC(=C(C=C6)OC)OC","LTBLHEJYGPQJSB-BRJLIKDPSA-N",24204359,NA,"PDBC51400","731532","Present",NA,NA
+"51401","PYRIDOMYCIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PYRIDOMYCIN",NA,"CCC(=C1C(=O)OC(C(C(=O)NC(C(C(C(=O)O1)C)O)CC2=CN=CC=C2)NC(=O)C3=C(C=CC=N3)O)C)C","WHIKSLGSXKIHCA-UCQKPKSFSA-N",5458474,NA,"PDBC51401","246134","Present",NA,NA
+"51402","PYSKLHFSEYWNDZ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PYSKLHFSEYWNDZ-UHFFFAOYSA-N",NA,"CSC1=NC2=C(C=CN2)C(=N1)NC3CCCC3","PYSKLHFSEYWNDZ-UHFFFAOYSA-N",5466041,NA,"PDBC51402","673093","Present",NA,NA
+"51403","PYTUTXSHGZPKPG-DFCCZADTSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PYTUTXSHGZPKPG-DFCCZADTSA-N",NA,"CCOC(=O)C1=CC(=CC=C1)N=NC2=NC=C(N2)C=CC(=O)OC","PYTUTXSHGZPKPG-CSLZILMTSA-N",135436269,NA,"PDBC51403","716677","Present",NA,NA
+"51404","Pacifenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pacifenol",NA,"CC1(C23CC(C(CC2OC1(C=CC3(C)O)Br)(C)Cl)Br)C","WNGMEQXERFPHIP-UHFFFAOYSA-N",122808,NA,"PDBC51404","287456","Present",NA,NA
+"51405","Pacifidiene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pacifidiene",NA,"CC1(C23CC(C(CC2OC1(C=CC3=C)Br)(C)Cl)Br)C","SCVKJKKRVLDQHS-UHFFFAOYSA-N",182147,NA,"PDBC51405","629927","Present",NA,NA
+"51406","Paclitaxel Ceribate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paclitaxel Ceribate",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)OCC(CO)O)C)OC(=O)C","HSUDWURBWSUCOB-JPHWUADUSA-N",390521,NA,"PDBC51406","687962","Present",NA,NA
+"51407","Paclitaxel-Copper-Albumin (PCA)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paclitaxel-Copper-Albumin (PCA)",NA,NA,NA,NA,NA,"PDBC51407","800528","Present",NA,NA
+"51408","Paeonia moutan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"paeony root",NA,"CC12CC3(C4CC1(C4(C(O2)O3)COC(=O)C5=CC=CC=C5)OC6C(C(C(C(O6)CO)O)O)O)O","YKRGDOXKVOZESV-UHFFFAOYSA-N",425990,NA,"PDBC51408","178886","Present",NA,NA
+"51409","Pak4-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KPT-9274",NA,"C1CN(CCC1(F)F)C(=O)C2=CC=C(C=C2)C3=CC(=C4C(=C3)C=C(O4)CNC(=O)C=CC5=CN=C(C=C5)N)C6=CC=C(C=C6)F","MRFOPLWJZULAQD-SWGQDTFXSA-N",117779453,NA,"PDBC51409","792970","Present",NA,NA
+"51410","Palifosfamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isophosphoramide mustard",NA,"C(CCl)NP(=O)(NCCCl)O","BKCJZNIZRWYHBN-UHFFFAOYSA-N",100427,NA,"PDBC51410","297900","Present",NA,NA
+"51411","Palisol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Palisol",NA,"CC(=CCC1C(=C)CC=CC1(C)C)C(CBr)O","PSLQVGUCVAPCDK-KPKJPENVSA-N",6393559,NA,"PDBC51411","699122","Present",NA,NA
+"51412","Palitantin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Palitantin",NA,"CCCC=CC=CC1CC(C(C(=O)C1CO)O)O","MPOXQBRZHHNMER-YTXTXJHMSA-N",5458472,NA,"PDBC51412","246119","Present",NA,NA
+"51413","Palladate(1-), .mu.-chlorodichloro[.mu.-[2,2'-(1-methyl-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Palladate(1-), .mu.-chlorodichloro[.mu.-[2,2'-(1-methyl-...",NA,NA,NA,NA,NA,"PDBC51413","228178","Present",NA,NA
+"51414","Palladate(2-), chlorobis(1,9-dihydro-6H-purine-6-thionat...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Palladate(2-), chlorobis(1,9-dihydro-6H-purine-6-thionat...",NA,NA,NA,NA,NA,"PDBC51414","70092","Present",NA,NA
+"51415","Palladate(2-), dichlorobis(6H-purine-6-thionato-N(7),S(6...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Palladate(2-), dichlorobis(6H-purine-6-thionato-N(7),S(6...",NA,NA,NA,NA,NA,"PDBC51415","51857","Present",NA,NA
+"51416","Pam 1392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pam 1392",NA,"C1=CC(=C(C=C1CNC2=CC3=C(C=C2)N=C(N=C3N)N)Cl)Cl","LTSQDQVTNREIAO-UHFFFAOYSA-N",97523,NA,"PDBC51416","129789","Present",NA,NA
+"51417","Pamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pamine",NA,"C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C","LZCOQTDXKCNBEE-UHFFFAOYSA-N",4120,NA,"PDBC51417","61809","Present",NA,NA
+"51418","Pamiparib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pamiparib",NA,"CC12CCCN1CC3=NNC(=O)C4=C5C3=C2NC5=CC(=C4)F","DENYZIUJOTUUNY-MRXNPFEDSA-N",135565554,NA,"PDBC51418","804253","Present",NA,NA
+"51419","Pamoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pamoic acid",NA,"C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O","WLJNZVDCPSBLRP-UHFFFAOYSA-N",8546,NA,"PDBC51419","30188","Present",NA,NA
+"51420","Panamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Panamine",NA,"C1CCN2CC34CC(C2C1)CC5C3N(CCC5)C6CCCC4N6","MRLGBUWOAFGOBH-UHFFFAOYSA-N",281253,NA,"PDBC51420","133892","Present",NA,NA
+"51421","Panaxadiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Panaxadiol",NA,"CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)O)C)C","PVLHOJXLNBFHDX-UHFFFAOYSA-N",328778,NA,"PDBC51421","308879","Present",NA,NA
+"51422","Panaxatriol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Panaxatriol",NA,"CC1(CCCC(O1)(C)C2CCC3(C2C(CC4C3(CC(C5C4(CCC(C5(C)C)O)C)O)C)O)C)C","QFJUYMMIBFBOJY-UHFFFAOYSA-N",328779,NA,"PDBC51422","308880","Present",NA,NA
+"51423","Pancratistatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PANCRATISTATIN",NA,"C1OC2=C(O1)C(=C3C(=C2)C4C(C(C(C(C4O)O)O)O)NC3=O)O","VREZDOWOLGNDPW-ALTGWBOUSA-N",441597,NA,"PDBC51423","349156","Present",NA,NA
+"51424","Pancratistatin,1-O-(3-hydroxybutyryl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pancratistatin,1-o-(3-hydroxybutyryl)-",NA,"CC(CC(=O)COC1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O)O","CPPFQIHMVZYHBP-LETCULCLSA-N",398555,NA,"PDBC51424","708495","Present",NA,NA
+"51425","Panicein A hydroquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Panicein A hydroquinone",NA,"CC1=CC(=C(C(=C1CCC(=CCC2=C(C=CC(=C2)O)O)C)C)C)OC","FFAKJAIQHPBXPV-MKMNVTDBSA-N",5467409,NA,"PDBC51425","652096","Present",NA,NA
+"51426","Panicein B3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Panicein B3",NA,"CC1=CC(=C(C(=C1CCC(=CCC2=C(C=CC(=C2)O)O)C)C)C=O)O","BCYBPYQVUROVFP-YIXHJXPBSA-N",5467407,NA,"PDBC51426","652094","Present",NA,NA
+"51427","Panicein C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Panicein C",NA,"CC1=C(C(=C(C(=C1C=O)O)O)C)CCC(=CCC2=C(C=CC(=C2)O)O)C","KTKUNEUPWDRROX-UUILKARUSA-N",5467408,NA,"PDBC51427","652095","Present",NA,NA
+"51428","Pannarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pannarin",NA,"CC1=CC(=C(C2=C1OC3=C(C(=C(C(=C3C(=O)O2)C)Cl)O)C=O)C)OC","LVGKNESDSKGROR-UHFFFAOYSA-N",162780,NA,"PDBC51428","646008","Present",NA,NA
+"51429","Panzem NCD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC659853",NA,"CC12CCC3C(C1CCC2O)CCC4=CC(=C(C=C34)OC)O","CQOQDQWUFQDJMK-NUFPHNDYSA-N",378119,NA,"PDBC51429","659853","Present",NA,NA
+"51430","Papaveroline hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Papaveroline, hydrobromide",NA,"C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)O)O)O)O.Br","NIBMARWPMHTGQR-UHFFFAOYSA-N",135512985,NA,"PDBC51430","99799","Present",NA,NA
+"51431","Para Red",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC210792///NSC70812",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)[N+](=O)[O-])O","WOTPFVNWMLFMFW-UHFFFAOYSA-N",22917,NA,"PDBC51431","210792///70812","Present",NA,NA
+"51432","Paracymene-ruthenium(II)-1,3,5-triaza-7-phosphaadamantan...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paracymene-ruthenium(II)-1,3,5-triaza-7-phosphaadamantan...",NA,NA,NA,NA,NA,"PDBC51432","720690","Present",NA,NA
+"51433","Paracymene-ruthenium(II)-[N-(3-(1H-imidazol-1-yl)propyl)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paracymene-ruthenium(II)-[N-(3-(1H-imidazol-1-yl)propyl)...",NA,NA,NA,NA,NA,"PDBC51433","763059","Present",NA,NA
+"51434","Paragracine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"paragracine",NA,"CC1=C2C(=NC(=N2)NC)C3=C(C=C1)NC(=N3)N(C)C.Cl","UTUHGOHOCIUBFM-UHFFFAOYSA-N",54600683,NA,"PDBC51434","357828","Present",NA,NA
+"51435","Pareitropone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pareitropone",NA,"COC1=C(C2=C3C(=C1)C=CN=C3C4=C2C=CC(=O)C=C4)OC","KWTAOJVETXMPDJ-UHFFFAOYSA-N",10469514,NA,"PDBC51435","725752","Present",NA,NA
+"51436","Parfumine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Parfumine",NA,"CN1CCC2=CC(=C(C=C2C13CC4=C(C3=O)C5=C(C=C4)OCO5)O)OC","AHNUBWYOIHCGFN-UHFFFAOYSA-N",376403,NA,"PDBC51436","657309","Present",NA,NA
+"51437","Paroxetine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"paroxetine hydrochloride (usan)",NA,"C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4.Cl","GELRVIPPMNMYGS-RVXRQPKJSA-N",62878,NA,"PDBC51437","758654","Present",NA,NA
+"51438","Parthenicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"parthenin",NA,"CC1CCC2C(C3(C1(C=CC3=O)O)C)OC(=O)C2=C","LLQCRTZROWMVOL-UHFFFAOYSA-N",257275,NA,"PDBC51438","85239","Present",NA,NA
+"51439","Parthenolid-8-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Parthenolid-8-one",NA,"CC1=CCCC2(C(O2)C3C(C(=C)C(=O)O3)C(=O)C1)C","IGDZAGDUPNOYHK-VMPITWQZSA-N",5469359,NA,"PDBC51439","687012","Present",NA,NA
+"51440","Parthenolid-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Oxireno[9,10]cyclodeca[1,2-b]furan-6,9(7H,10aH)-dione, 1...",NA,"CC1=CCCC2(C(O2)C3C(CC1=O)C(=C)C(=O)O3)C","MZDVWXBIIWIBTB-BPWSPTIZSA-N",10445414,NA,"PDBC51440","672120","Present",NA,NA
+"51441","Partricin A 2-pyridinylethylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Partricin A  2-pyridinylethylamide",NA,"CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCC4=CC=CC=N4)OC5C(C(C(C(O5)C)O)N)O","XLBKUGPZIGESSH-HPKJJUTRSA-N",5472914,NA,"PDBC51441","722657","Present",NA,NA
+"51442","Partricin A morpholide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Partricin A morpholide",NA,"CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)N4CCOCC4)OC5C(C(C(C(O5)C)O)N)O","SDNDVBSRAGCLDY-SIBWUZLPSA-N",5472913,NA,"PDBC51442","722656","Present",NA,NA
+"51443","Partricin A morpholinoethylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Partricin A morpholinoethylamide",NA,"CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN4CCOCC4)OC5C(C(C(C(O5)C)O)N)O","WWXGACATRGYDFZ-SIBWUZLPSA-N",5472911,NA,"PDBC51443","722654","Present",NA,NA
+"51444","Partricin A piperidinoethylamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Partricin A piperidinoethylamide",NA,"CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(CC(CC(CC(=O)CC(CC(=O)OC1C(C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN4CCCCC4)OC5C(C(C(C(O5)C)O)N)O","JSOUDLFUGAZMEC-DWWUDAOYSA-N",5472912,NA,"PDBC51444","722655","Present",NA,NA
+"51445","Patulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC32951///NSC8120",NA,"C1C=C2C(=CC(=O)O2)C(O1)O","ZRWPUFFVAOMMNM-UHFFFAOYSA-N",4696,NA,"PDBC51445","32951///8120","Present",NA,NA
+"51446","Paucin 3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"paucin",NA,"CC1CC2C(CC3(C1C(CC3=O)OC4C(C(C(C(O4)COC(=O)C)O)O)O)C)C(=C)C(=O)O2","GUDGKGBWXIZDPA-SRSBAEBFSA-N",282787,NA,"PDBC51446","136722","Present",NA,NA
+"51447","Paullone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paullone",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NC4=CC=CC=C24","VGMDAWVZNAXVDG-UHFFFAOYSA-N",369401,NA,"PDBC51447","641166","Present",NA,NA
+"51448","Paullone Analog 13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paullone Analog 13",NA,"C1C2=C(C3=CC(=C(C=C3NC1=O)O)O)NC4=C2C=C(C=C4)Br","CSJPCQXZZVBCHG-UHFFFAOYSA-N",395170,NA,"PDBC51448","699472","Present",NA,NA
+"51449","Paullone Analog 31",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paullone Analog 31",NA,"COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=CC=CC=C4N3)OC","YAKJZHVHEIOVIR-UHFFFAOYSA-N",396081,NA,"PDBC51449","701592","Present",NA,NA
+"51450","Paullone Analog 37",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paullone Analog 37",NA,"C1C2=C(C3=C(C=CC(=C3)Br)NC1=O)NC4=C2C=C(C=C4)C(F)(F)F","CZOVMHCLKVCOEM-UHFFFAOYSA-N",396571,NA,"PDBC51450","703054","Present",NA,NA
+"51451","Paullone Analog 44",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paullone Analog 44",NA,"C1C2=C(C3=C(C(=CC=C3)O)NC1=O)NC4=C2C=C(C=C4)Br","VPNVMVMFLHEGBV-UHFFFAOYSA-N",395169,NA,"PDBC51451","699471","Present",NA,NA
+"51452","Paullone Analog 45",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paullone Analog 45",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C(=CC(=C4)Cl)Cl","SYGNSFGBDJEBOK-UHFFFAOYSA-N",396572,NA,"PDBC51452","703056","Present",NA,NA
+"51453","Paullone Analog 47",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paullone Analog 47",NA,"COC1=CC=CC2=C1NC(=O)CC3=C2NC4=C3C=C(C=C4)Br","IZRNPQQLTKFPRZ-UHFFFAOYSA-N",396411,NA,"PDBC51453","702373","Present",NA,NA
+"51454","Paullone Analog 7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paullone Analog 7",NA,"C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)C(F)(F)F","MILILGJHFMDHIJ-UHFFFAOYSA-N",396079,NA,"PDBC51454","701590","Present",NA,NA
+"51455","Paullone Analog 9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paullone Analog 9",NA,"COC1=C(C=C2C(=C1)C3=C(CC(=O)N2)C4=C(N3)C=CC(=C4)C(F)(F)F)OC","RVTOIQOTZUKDTE-UHFFFAOYSA-N",396412,NA,"PDBC51455","702378","Present",NA,NA
+"51456","Paulomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paulomycin A",NA,"CCC(C)C(=O)OC(C)C1(C(OC(CC1OC)OC2C(C(OC(C2OC(=O)C(=CC)N=C=S)COC(=O)C)C3(CC(=O)C(=N)C(=C3O)C(=O)O)O)O)C)O","VVGJRYRHYMYFCV-XHKDYZAQSA-N",135488940,NA,"PDBC51456","356207","Present",NA,NA
+"51457","Paxillarine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Paxillarine A",NA,"CC(C1C(CC2C1(CCC3C2CCC4C3(CCC(C4OC(=O)C)N(C)C(=O)C5=CC=CC=C5)C)C)O)N(C)C","CEFWIVSCALJZMU-WMBLJULDSA-N",374411,NA,"PDBC51457","652121","Present",NA,NA
+"51458","Pci-27483",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PCI-27483",NA,"C1=CC2=C(C=C1C(=N)N)NC(=N2)C3=CC(=CC(=C3O)C4=C(C=CC(=C4)S(=O)(=O)N)O)CC(=O)NC(CC(=O)O)C(=O)O","WDJHHCAKBRKCLW-IBGZPJMESA-N",135425273,NA,"PDBC51458","782579","Present",NA,NA
+"51459","Pdtpt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pdtpt",NA,"CC1=C(SC(=N1)[N+]2=NC(=NN2C3=CC=CC=C3)C4=CC=NC=C4)C.[Br-]","MWQYGERRFZWKHL-UHFFFAOYSA-M",357140,NA,"PDBC51459","615035","Present",NA,NA
+"51460","Peakdale1_000030",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Peakdale1_000030",NA,"C1=CC(=CC=C1CNC(=O)C2=CC3=C(C=CS3)N=C2C(F)(F)F)Cl","DPDRPUUNNNYOPH-UHFFFAOYSA-N",387143,NA,"PDBC51460","680625","Present",NA,NA
+"51461","Peakdale1_000034",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Peakdale1_000034",NA,"C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)C2=CC3=C(C=CS3)N=C2C(F)(F)F","PTLLMMYRTMAZCX-UHFFFAOYSA-N",387144,NA,"PDBC51461","680627","Present",NA,NA
+"51462","Pectenotoxin 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pectenotoxin 1",NA,"CC1CCOC(C1O)(C2CC3C(O2)C=CC(=CC(CC4(CCC(O4)C56CCC(O5)(CC(O6)C7C(=O)CC(O7)(C(C8CCC9(O8)CCCC(O9)C(C(=O)O3)C)O)C)CO)C)C)C)O","KJWMGLBVDNMNQW-KJEHWLPMSA-N",5468696,NA,"PDBC51462","674674","Present",NA,NA
+"51463","Pectenotoxin 6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pectenotoxin 6",NA,"CC1CCOC(C1O)(C2CC3C(O2)C=CC(=CC(CC4(CCC(O4)C56CCC(O5)(CC(O6)C7C(=O)CC(O7)(C(C8CCC9(O8)CCCC(O9)C(C(=O)O3)C)O)C)C(=O)O)C)C)C)O","IJSPTHZVVHPQQN-DPCJHPGCSA-N",5468697,NA,"PDBC51463","674675","Present",NA,NA
+"51464","Pectenotoxin II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pectenotoxin II",NA,"CC1CCOC(C1O)(C2CC3C(O2)C=CC(=CC(CC4(CCC(O4)C56CCC(O5)(CC(O6)C7C(=O)CC(O7)(C(C8CCC9(O8)CCCC(O9)C(C(=O)O3)C)O)C)C)C)C)C)O","PTKFEDGHUVZLPL-XAHUWGBLSA-N",5468320,NA,"PDBC51464","668555","Present",NA,NA
+"51465","Pectinatone/Norpectinatone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pectinatone/Norpectinatone",NA,"CCCC(C)CC(C)CC(C)C=C(C)C1=C(C(=C(C(=O)O1)C)O)C.CCC(C)CC(C)CC(C)C=C(C)C1=C(C(=C(C(=O)O1)C)O)C","MBSXXSVLIIXPDX-BEZXXRTDSA-N",54679366,NA,"PDBC51465","625527","Present",NA,NA
+"51466","Pederin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pederin",NA,"CC1C(OC(CC1=C)(C(C(=O)NC(C2CC(C(C(O2)CC(COC)OC)(C)C)O)OC)O)OC)C","ZNEZZONMADKYTB-VRCUBXEUSA-N",5381287,NA,"PDBC51466","114781","Present",NA,NA
+"51467","Pedicellin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PEDICELLIN",NA,"COC1=C(C(=C(C(=C1OC)OC)OC)OC)C(=O)C=CC2=CC=CC=C2","BHTMJPHRPUKDBL-VAWYXSNFSA-N",5925916,NA,"PDBC51467","255994","Present",NA,NA
+"51468","Pedicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PEDICIN",NA,"COC1=C(C(=C(C(=C1C(=O)C=CC2=CC=CC=C2)O)OC)OC)O","PPRMAMORBLMPSR-MDZDMXLPSA-N",5901370,NA,"PDBC51468","255993","Present",NA,NA
+"51469","Pelitrexol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pelitrexol",NA,"CC1=C(SC(=C1)C(=O)NC(CCC(=O)O)C(=O)O)CCC2CC3=C(NC2)N=C(NC3=O)N","QXOPTIPQEVJERB-JQWIXIFHSA-N",135431074,NA,"PDBC51469","767745","Present",NA,NA
+"51470","Pemigatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"INCB-54828",NA,"CCN1C2=C3C=C(NC3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)CN5CCOCC5","HCDMJFOHIXMBOV-UHFFFAOYSA-N",86705695,NA,"PDBC51470","816556","Present",NA,NA
+"51471","Penclomedine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PENCLOMEDINE",NA,"COC1=C(C(=NC(=C1Cl)OC)C(Cl)(Cl)Cl)Cl","DZVPGIORVGSQMC-UHFFFAOYSA-N",60203,NA,"PDBC51471","338720","Present",NA,NA
+"51472","Penduletin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calycopterin",NA,"COC1=C(C(=C2C(=C1)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O)OC","YSXFFLGRZJWNFM-UHFFFAOYSA-N",5320462,NA,"PDBC51472","659549","Present",NA,NA
+"51473","Penetratin 16mer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Penetratin 16mer",NA,"CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCNC(=N)N)N","BHONFOAYRQZPKZ-UHFFFAOYSA-N",16134279,NA,"PDBC51473","714897","Present",NA,NA
+"51474","Penetratin LFG 24mer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Penetratin LFG 24mer",NA,"CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)N6CCCC6C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC7=CC=CC=C7)C(=O)NCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCCNC(=N)N)N","FEGITFIQOXIBEC-UHFFFAOYSA-N",16134280,NA,"PDBC51474","714898","Present",NA,NA
+"51475","Peninsularinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Peninsularinone",NA,"CCC(CC(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)O)C)OC1=O)O)O)C)(C(C)C)O","YYFUPACSPMCQHM-IAXDHZOFSA-N",385564,NA,"PDBC51475","676836","Present",NA,NA
+"51476","Penitrem A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Penitrem A",NA,NA,"CC(=C)C1C(C2C3(O2)C(O1)CCC4(C3(CCC5C4(C6=C7C5OC(C8CC9C8(C1=C7C(=CC(=C1CC9=C)Cl)N6)O)(C)C)C)O)C)O","JDUWHZOLEDOQSR-JKPSMKLGSA-N",6610243,NA,"PDBC51476",NA,"Absent",NA,NA
+"51477","Pentaamminenitrogenosmium(II)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentaamminenitrogenosmium(II)chloride",NA,"N.N.N.N.N.N#N.[Cl-].[Os+7]","ALKKJJZVIPBWJX-UHFFFAOYSA-M",24202194,NA,"PDBC51477","632566","Present",NA,NA
+"51478","Pentabenzyl 1,4,7,10,13-pentaazacyclopentadecane-1,4,7,10,13-pentacarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentabenzyl 1,4,7,10,13-pentaazacyclopentadecane-1,4,7,10,13-pentacarboxylate",NA,"C1CN(CCN(CCN(CCN(CCN1C(=O)OCC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)C(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6","DGWMPRZDZRYBQZ-UHFFFAOYSA-N",393896,NA,"PDBC51478","696856","Present",NA,NA
+"51479","Pentachlorophenol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC40792",NA,"C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O","IZUPBVBPLAPZRR-UHFFFAOYSA-N",992,NA,"PDBC51479","40792","Present",NA,NA
+"51480","Pentacyclo[7.5.0.01,13.04,8.04,12]tetradec-8-ene-2,3,12,13-tetracarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentacyclo[7.5.0.01,13.04,8.04,12]tetradec-8-ene-2,3,12,13-tetracarboxylic acid",NA,"C1CC2=C3CCC4(C2(C1)C(C(C35C4(C5)C(=O)O)C(=O)O)C(=O)O)C(=O)O","WDFFTASVTGENSX-UHFFFAOYSA-N",284751,NA,"PDBC51480","140936","Present",NA,NA
+"51481","Pentacyclo[8.6.6.03,8.011,16.017,22]docosa-3(8),4,6,11,13,15,17,19,21-nonaen-5-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentacyclo[8.6.6.03,8.011,16.017,22]docosa-3(8),4,6,11,13,15,17,19,21-nonaen-5-amine",NA,"C1C2C3=CC=CC=C3C(CC4=C1C=CC(=C4)N)C5=CC=CC=C25","TZSMDIXYEXNDEE-UHFFFAOYSA-N",363813,NA,"PDBC51481","629027","Present",NA,NA
+"51482","Pentagastrin, >=95% (HPLC), powder",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentagastrin",NA,"CC(C)(C)OC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N","NEYNJQRKHLUJRU-UHFFFAOYSA-N",4734,NA,"PDBC51482","367746","Present",NA,NA
+"51483","Pentalenopyran-5-carboxylic acid deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"u 36699",NA,"CC1C2C=C(C3C2(C=C1C)C(=C)C(=O)OC3)C(=O)O","CRWVSJINJPKGIZ-UHFFFAOYSA-N",286636,NA,"PDBC51483","145150","Present",NA,NA
+"51484","Pentamethylmelamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentamethylmelamine///PMM HCl",NA,"CNC1=NC(=NC(=N1)N(C)C)N(C)C","XIFVTSIIYVGRHJ-UHFFFAOYSA-N",27775,NA,"PDBC51484","118742///654383","Present",NA,NA
+"51485","Pentamine-osmium(III)trifluoromethane sulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentamine-osmium(III)trifluoromethane sulfonate",NA,"C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].N.N.N.N.N.[Os+8]","ATNOOPWDLXFPSQ-UHFFFAOYSA-L",24202392,NA,"PDBC51485","646863","Present",NA,NA
+"51486","Pentamminethiocyanatocobalt(III)sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentamminethiocyanatocobalt(III)sulfate",NA,NA,NA,NA,NA,"PDBC51486","630616","Present",NA,NA
+"51487","Pentanamide, 2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenylmethyl)propyl]-4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentanamide, 2-(acetylamino)-N-[3-chloro-2-oxo-1-(phenyl...",NA,"CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)CCl)NC(=O)C","BDCWQOMLWHXEAK-UHFFFAOYSA-N",299926,NA,"PDBC51487","173905","Present",NA,NA
+"51488","Pentanamide, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentanamide, N-(methylsulfonyl)-N-[4-[(3-nitro-9-acridin...",NA,"CCCCC(=O)N(C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])S(=O)(=O)C.Cl","QNMSACFQAONRRH-UHFFFAOYSA-N",21144481,NA,"PDBC51488","143106","Present",NA,NA
+"51489","Pentane 1,4,5-trimethoxyphenyl)ethyl]-1,3-benzodioxol-5-yl}oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentane 1,5-Bis[{6-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,3...",NA,"CC(C1=CC(=C(C(=C1)OC)OC)OC)C2=CC3=C(C=C2OCCCCCOC4=CC5=C(C=C4C(C)C6=CC(=C(C(=C6)OC)OC)OC)OCO5)OCO3","JRLFAVOMIRLXFC-UHFFFAOYSA-N",372081,NA,"PDBC51489","646945","Present",NA,NA
+"51490","Pentanedioic acid, 2-acetyl-3-(2-oxo-4,5-diphenyl-3-oxazolidinyl)-, 5-methyl 1-(phenylmethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC648855///NSC648856",NA,"CC(=O)C(C(CC(=O)OC)N1C(C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4","LNVMNDUKVCWNOC-UHFFFAOYSA-N",373027,NA,"PDBC51490","648855///648856","Present",NA,NA
+"51491","Pentitol, 1-C-[4-(aminocarbonyl)-2-oxazolyl]-1,4-anhydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]oxazole-4-carboxamide",NA,"C1=C(N=C(O1)C2C(C(C(O2)CO)O)O)C(=O)N","YSRISZVOJDAOFB-UHFFFAOYSA-N",369086,NA,"PDBC51491","640643","Present",NA,NA
+"51492","Pentosan sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentosan sulfate",NA,NA,NA,NA,NA,"PDBC51492","626201","Present",NA,NA
+"51493","Pentoxyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pentoxyl",NA,"CC1=C(C(=O)NC(=O)N1)CO","XBAVGYMDOXCWQU-UHFFFAOYSA-N",8983,NA,"PDBC51493","13202","Present",NA,NA
+"51494","Pentyl 2-[(5-carbamoyl-1H-triazol-4-yl)amino]-2-oxo-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentyl 2-[(5-carbamoyl-1H-triazol-4-yl)amino]-2-oxo-acetate",NA,"CCCCCOC(=O)C(=O)NC1=NNN=C1C(=O)N","SILDNRWDHJVPQH-UHFFFAOYSA-N",385091,NA,"PDBC51494","676018","Present",NA,NA
+"51495","Pentyl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pentyl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate",NA,"CCCCCOC(=O)C1=CC2=C(C=CC(=C2)CCl)OC1=O","LGUUTJBOXSFZSC-UHFFFAOYSA-N",402498,NA,"PDBC51495","716524","Present",NA,NA
+"51496","Pepleo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pepleo",NA,"CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNC(C)C7=CC=CC=C7)O.OS(=O)(=O)O","ZHHIHQFAUZZMTG-UHFFFAOYSA-N",122804,NA,"PDBC51496","276382","Present",NA,NA
+"51497","Peptide PTD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"peptide ptd",NA,"C(CCN)CC(C(=O)NC(CCCCN)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)O)NC(=O)C(CCCN=C(N)N)N","IVYQODXBAVAAMS-UHFFFAOYSA-N",45028373,NA,"PDBC51497","742350","Present",NA,NA
+"51498","Peptide isolated from Viscum alblum extract (Iscador)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Peptide isolated from Viscum alblum extract (Iscador)",NA,NA,NA,NA,NA,"PDBC51498","635089","Present",NA,NA
+"51499","Peregrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Peregrine",NA,"CCN1CC2(CCC(C34C2C(C(C31)C5(CC(C6CC4C5C6O)OC)OC)OC(=O)C)OC)C","FWZLYKYJQSQEPN-SKLAJPBESA-N",6852266,NA,"PDBC51499","650723","Present",NA,NA
+"51500","Perezone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Perezone",NA,"CC1=CC(=O)C(=C(C1=O)O)C(C)CCC=C(C)C","JZXORCGMYQZBBQ-UHFFFAOYSA-N",339385,NA,"PDBC51500","365793","Present",NA,NA
+"51501","Perfragilin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Perfragilin B",NA,"CN1C=C2C(=CC1=O)C(=O)C(=C(C2=O)SC)SC","YCRBNFTXGDZHPI-UHFFFAOYSA-N",381111,NA,"PDBC51501","667275","Present",NA,NA
+"51502","Pergularinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tylophorinine",NA,"COC1=CC2=C(C=C1)C3=C(CN4CCCC4C3O)C5=CC(=C(C=C52)OC)OC","LAWAARLALKUFQQ-CVDCTZTESA-N",264751,NA,"PDBC51502","100055","Present",NA,NA
+"51503","Perhexiline maleate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"perhexiline maleate (usan)",NA,"C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O","JDZOTSLZMQDFLG-BTJKTKAUSA-N",5284439,NA,"PDBC51503","758409","Present",NA,NA
+"51504","Peridinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Peridinin",NA,"CC(=CC=CC=CC=C(C)C=C1C=C(C(=O)O1)C=CC23C(CC(CC2(O3)C)O)(C)C)C=C=C4C(CC(CC4(C)O)OC(=O)C)(C)C","UYRDHEJRPVSJFM-VSWVFQEASA-N",5289155,NA,"PDBC51504","679586","Present",NA,NA
+"51505","Perilla ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Perilla ketone",NA,"CC(C)CCC(=O)C1=COC=C1","LVHLZMUFIYAEQB-UHFFFAOYSA-N",68381,NA,"PDBC51505","348407","Present",NA,NA
+"51506","Perillic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Perillic acid",NA,"CC(=C)C1CCC(=CC1)C(=O)O","CDSMSBUVCWHORP-UHFFFAOYSA-N",1256,NA,"PDBC51506","641067","Present",NA,NA
+"51507","Perlatolinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Perlatolinic acid",NA,"CCCCCC1=C(C(=CC(=C1)OC)O)C(=O)OC2=CC(=C(C(=C2)O)C(=O)O)CCCCC","UTAQXQVSEKIWBB-UHFFFAOYSA-N",174857,NA,"PDBC51507","646002","Present",NA,NA
+"51508","Permethyl deriv. of cristatic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"permethyl deriv. of cristatic acid",NA,"CC1=CC(=C(C(=C1C(=O)OC)OC)CC=C(C)CCCC2=COC(=C2)C=C(C)C)OC","JFBRWQVSNGZWSC-WOJGMQOQSA-N",5458762,NA,"PDBC51508","338269","Present",NA,NA
+"51509","Peronatin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692339",NA,"CC1=C2C(=CC=C1)NC(C2=O)(C)C3(C(=O)C4=C(C=CC=C4N3)C)C","ATIDZGUTRAUUEB-WOJBJXKFSA-N",392206,NA,"PDBC51509","692339","Present",NA,NA
+"51510","Peronatin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC692340",NA,"CC1=C2C(=CC=C1)NC(C2=O)(C)C3(C(=O)C4=C(C=CC=C4N3)C)C","ATIDZGUTRAUUEB-BGYRXZFFSA-N",392207,NA,"PDBC51510","692340","Present",NA,NA
+"51511","Peroxide mixture",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Peroxide mixture",NA,"CC1=C(C(CCC1)(C)C)CCC(=CCCC2(CCC(OO2)C(C)C(=O)O)C)C.CC(C1CCC(OO1)(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O","MHCYNZXIHNGVIA-XPSGGQBMSA-N",5387636,NA,"PDBC51511","625518","Present",NA,NA
+"51512","Peroxisomicine A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667839",NA,"CC1(CC2=C(C(=O)C1)C(=C3C(=C2)C=CC(=C3O)C4=C5CC(CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)O)O","FBPZAGOTWAVQJH-XZWHSSHBSA-N",381319,NA,"PDBC51512","667839","Present",NA,NA
+"51513","Peroxydicarbonic acid, bis(phenylmethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Peroxydicarbonic acid, bis(phenylmethyl) ester",NA,"C1=CC=C(C=C1)COC(=O)OOC(=O)OCC2=CC=CC=C2","IAWYWVVBKGWUEP-UHFFFAOYSA-N",357763,NA,"PDBC51513","617286","Present",NA,NA
+"51514","Perulactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Perulactone",NA,"CC1C(COC1=O)CC(C(C)(C2CCC3C2(CCC4C3CC=C5C4(C(CC(C5)O)OC(=O)C)C)C)O)O","ODRFODNLKCBNIK-UHFFFAOYSA-N",433638,NA,"PDBC51514","334388","Present",NA,NA
+"51515","Pervilleanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pervilleanone",NA,"CC(C)(C=C)C1=C(C(=C(C(=C1)C2COC3=C(C2=O)C=CC(=C3)O)O)OC)OC","VEUAGCPRQFCWJN-HNNXBMFYSA-N",401429,NA,"PDBC51515","715084","Present",NA,NA
+"51516","Pervilleine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pervilleine A",NA,"CN1C2CC(CC1C(C2O)OC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC(=O)C4=CC(=C(C(=C4)OC)OC)OC","OWTUMFZGWWGYGZ-CMDGGOBGSA-N",5459292,NA,"PDBC51516","687938","Present",NA,NA
+"51517","Perylene-4, 5,8-dihydroxy-1,3,10,12-tetramethoxy-6,7-dipropyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Perylene-4,9-dione, 5,8-dihydroxy-1,3,10,12-tetramethoxy...",NA,"CCCC1=C(C(=O)C2=C(C=C(C3=C4C(=CC(=C5C4=C(C1=C32)C(=C(C5=O)O)CCC)OC)OC)OC)OC)O","XZJHHJVRLNPXAU-UHFFFAOYSA-N",390875,NA,"PDBC51517","688978","Present",NA,NA
+"51518","Petriosamine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Petriosamine A",NA,"C1CCC=CCCCCN2CCC3C(C2)CCCCC=CCCCN4CC(CC1)CC3C4","AMFQWROOQAKDDB-UHOORYNDSA-N",54612745,NA,"PDBC51518","747595","Present",NA,NA
+"51519","Petunianine B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Petunianine B",NA,"CC1C2=CCC3(C(C2C4C(C15CCC(=O)O5)O4)CCC3C(C)C6CC7(C(OC(O6)(O7)C8=CN=CC=C8)(C)C)C)C","BJKGLGPBYJCOBX-PHHQMGFKSA-N",6712038,NA,"PDBC51519","653514","Present",NA,NA
+"51520","Petuniasterone A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"petuniasterone A",NA,"CC(C1CCC2C1(CCC3C2C(CC4=CC(=O)C=CC34C)O)C)C5CC6(C(OC(O5)(O6)CC(=O)SC)(C)C)C","GOWJWMZOBOZFNW-VZTRAHGGSA-N",6711641,NA,"PDBC51520","633664","Present",NA,NA
+"51521","Petuniolide A 12-ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Petuniolide A 12-ketone",NA,"CC1C2=CC(=O)C3(C(C2C4C(C15CCC(=O)O5)O4)CCC3C(C)C6CC7(C(OC(O6)(O7)C)(C)C)C)C","COCPASNZXWPLFW-VIUOZNQPSA-N",5459158,NA,"PDBC51521","633665","Present",NA,NA
+"51522","Pexidartinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pexidartinib (PLX3397)",NA,"Pexidartinib///PLX-3397",NA,NA,NA,NA,NA,"PDBC51522","800843///789300","Present",NA,NA
+"51523","Pexmetinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ARRY-614///Pexmetinib",NA,"CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NCC3=C(C=CC(=C3)F)OC4=CC5=C(C=C4)N(N=C5)CCO","LNMRSSIMGCDUTP-UHFFFAOYSA-N",24765037,NA,"PDBC51523","778367///800844","Present",NA,NA
+"51524","Phaentharine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phaentharine chloride",NA,"C[N+]1=C(C2=CC(=C(C=C2C=C1)OC)OC)CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC5=[N+](C=CC6=CC(=C(C=C65)OC)OC)C)OC.[Cl-]","NUDZNDXPDMTYCV-UHFFFAOYSA-M",54604578,NA,"PDBC51524","324042","Present",NA,NA
+"51525","Phaeophorbid B, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phaeophorbid B, methyl ester",NA,"CCC1=C(C2=NC1=CC3=NC(=C(C3=CO)CC)C=C4C(=C5C(=O)C(C(=C6C(C(C(=C2)N6)C)CCC(=O)OC)C5=N4)C(=O)OC)C)C","ZGSSUGQTOLLUCE-PURWOSKBSA-N",135502445,NA,"PDBC51525","407321","Present",NA,NA
+"51526","Phaeophytin A, mixture with phaeophytin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHAEOPHYTIN A, MIXTURE WITH PHAEOPHYTIN B",NA,"CCC1=C(C2=NC1=CC3=CC4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC)O)C.CCC1=C2C=C3C=C4C(=O)C(C(=C5C(C(C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C4=N3)C(=O)OC","YTNQVMRIDAJLBH-MZMUEXOASA-N",135441774,NA,"PDBC51526","407811","Present",NA,NA
+"51527","PharmaGSID_48505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767254",NA,"CC1=C2C(=NN1)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4Cl","UVLBAPBHAHFJSY-UHFFFAOYSA-N",86287525,NA,"PDBC51527","767254","Present",NA,NA
+"51528","Pharmakon1600-01300027",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ivermectin (usan)",NA,"CCC(C)C1C(CCC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C","AZSNMRSAGSSBNP-ONDMGMIHSA-N",45114068,NA,"PDBC51528","755843","Present",NA,NA
+"51529","Pharmakon1600-01300040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SODIUM 4-PHENYLBUTYRATE",NA,"C1=CC=C(C=C1)CCCC(=O)O.[Na+]","VPZRWNZGLKXFOE-UHFFFAOYSA-N",54604810,NA,"PDBC51529","657802","Present",NA,NA
+"51530","Pharmakon1600-01500148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bithionate sodium",NA,"C1=C(C=C(C(=C1SC2=C(C(=CC(=C2)Cl)Cl)O)O)Cl)Cl.[Na+]","GBQJZSAUYCFSGW-UHFFFAOYSA-N",60148380,NA,"PDBC51530","755903","Present",NA,NA
+"51531","Pharmakon1600-01500151",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bromocriptine mesylate (usan)",NA,"CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O.CS(=O)(=O)O","NOJMTMIRQRDZMT-NBKIJBDLSA-N",5702014,NA,"PDBC51531","755915","Present",NA,NA
+"51532","Pharmakon1600-01500206",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"colistimethate sodium (usan)",NA,"CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCC(C(=O)NC(C(=O)N1)CCNCS(=O)(=O)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)C(C(C)O)NC(=O)C(CCNCS(=O)(=O)O)NC(=O)CCCCC(C)C)C(C)O)CCNCS(=O)(=O)O)CCNCS(=O)(=O)O)C(C)CC.[Na+]","MUDJBFFXEJLFAX-UHFFFAOYSA-N",60148381,NA,"PDBC51532","756688","Present",NA,NA
+"51533","Pharmakon1600-01500260",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC756731",NA,"C1C=CC=[N+](C1=S)O.C1=CC(=S)N(C=C1)O.[Zn]","BSRFMRZGMWYJEK-UHFFFAOYSA-N",6327770,NA,"PDBC51533","756731","Present",NA,NA
+"51534","Pharmakon1600-01500603",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TYROTHRICIN",NA,"CC(C)CC1C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)O)CC(=O)O)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6","BJSPSQYEAXWPOK-UHFFFAOYSA-N",16132496,NA,"PDBC51534","757363","Present",NA,NA
+"51535","Pharmakon1600-01501105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"puromycin hydrochloride (usan)",NA,"CN(C)C1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)NC(=O)C(CC4=CC=C(C=C4)OC)N)O.Cl","MXJUOYXSYWPMAR-VWLXJURHSA-N",60148403,NA,"PDBC51535","757836","Present",NA,NA
+"51536","Pharmakon1600-01502258",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MONENSIN SODIUM",NA,"CCC1(CCC(O1)C2(CCC3(O2)CC(C(C(O3)C(C)C(C(C)C(=O)O)OC)C)O)C)C4C(CC(O4)C5C(CC(C(O5)(CC)O)C)C)C.[Na+]","GYPNBQUSNIBSGD-DUDHYVAZSA-N",60148410,NA,"PDBC51536","758183","Present",NA,NA
+"51537","Pharmakon1600-01502373",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ramoplanin (usan)",NA,"CC1C(=O)NC(C(=O)OC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1)CC(C)C)C2=CC=C(C=C2)O)C(C)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)OC5C(C(C(C(O5)CO)O)O)O)CCCN)CC6=CC=CC=C6)C(C)O)C7=CC=C(C=C7)O)C8=CC=C(C=C8)O)C(C)O)CCCN)C9=CC=C(C=C9)O)NC(=O)C(CC(=O)N)NC(=O)C=CC=CCC(C)C)C(=O)N)C1=CC(=C(C=C1)O)Cl","KGZHFKDNSAEOJX-TULZXPCASA-N",60148452,NA,"PDBC51537","760084","Present",NA,NA
+"51538","Pharmakon1600-01503074",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aletamine hydrochloride (usan)",NA,"CCCCC(CC)CN=C(N)NC(=NCCCCCCN=C(N)NC(=NCC(CC)CCCC)N)N.Cl","JEPAQYCCAYFOBU-UHFFFAOYSA-N",18968508,NA,"PDBC51538","759881","Present",NA,NA
+"51539","Pharmakon1600-01503223",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758408",NA,"C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O.C1=CC(=CC(=C1)N)C(=C2C=CC(=N)C=C2)C3=CC(=CC=C3)N","OILMTGAXBCPFHL-UHFFFAOYSA-N",5702227,NA,"PDBC51539","758408","Present",NA,NA
+"51540","Pharmakon1600-01503602",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SALINOMYCIN, SODIUM",NA,"CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O.[Na+]","YPZYGIQXBGHDBH-WKWCOTLASA-N",60148415,NA,"PDBC51540","758465","Present",NA,NA
+"51541","Pharmakon1600-01503722",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"atorvastatin calcium (usan)",NA,"CC(C)C1=C(C(=C(N1CCC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.[Ca+2]","WOKULUNCKCOMPU-CNZCJKERSA-N",60148418,NA,"PDBC51541","758617","Present",NA,NA
+"51542","Pharmakon1600-01503867",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Candicidin",NA,"CC1C=CC=CC=CC=CC=CC=CC=CC(CC(C(C(CC(=O)CC(CC(CC(CC(=O)CCCC(=O)CC(=O)OC1C(C)CC(C)C(CC(=O)C2=CC=C(C=C2)N)O)O)O)O)O)C(=O)O)O)OC3C(C(C(C(O3)C)O)O)N","HYIZCDMXFDRDFE-RTQJASBYSA-N",51371318,NA,"PDBC51542","759868","Present",NA,NA
+"51543","Pharmakon1600-01503875",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"piroctone olamine (usan)",NA,"CC1=CC(=O)N(C(=C1)CC(C)CC(C)(C)C)O.CC(N)O","JUAUJJPBJGQPET-UHFFFAOYSA-N",51371311,NA,"PDBC51543","759894","Present",NA,NA
+"51544","Pharmakon1600-01504008",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758664",NA,"CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC","QFJCIRLUMZQUOT-NUGANYOESA-N",60148419,NA,"PDBC51544","758664","Present",NA,NA
+"51545","Pharmakon1600-01504300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"orlistat (usan)",NA,"CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C(CC(C)C)NC=O","AHLBNYSZXLDEJQ-GWMMUDDPSA-N",6710691,NA,"PDBC51545","758881","Present",NA,NA
+"51546","Pharmakon1600-01506053",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tyloxapol (usan)",NA,"CCCCCCCCC1=CC(=C(C=C1)OC)C.CCCCCCCCC1=CC(=C(C=C1)OC)C.CCCCCCCCC1=CC(=C(C(=C1)C)OC)CC.CCOCCOCCOCCOCCOCCOCCOCCOCCOCCO","XMVBCRTZOPFCFL-UHFFFAOYSA-N",45114175,NA,"PDBC51546","759310","Present",NA,NA
+"51547","Pharmakon1600-01506084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"proscillaridin (usan)",NA,"CC12CCC(C=C1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)OC6C(C(C(C(O6)O)O)O)O","GIBKNVJEIILEKC-FBDKWHMPSA-N",45114178,NA,"PDBC51547","759307","Present",NA,NA
+"51548","Pheanthine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pheanthine",NA,"CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC","WVTKBKWTSCPRNU-LOYHVIPDSA-N",73664,NA,"PDBC51548","105130","Present",NA,NA
+"51549","Phebestin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phebestin",NA,"CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C(C(CC2=CC=CC=C2)N)O","GGMURINELPSPEF-ANULTFPQSA-N",3075601,NA,"PDBC51549","702307","Present",NA,NA
+"51550","Phenacyl 2-nitrooxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenacyl 2-nitrooxyacetate",NA,"C1=CC=C(C=C1)C(=O)COC(=O)CO[N+](=O)[O-]","ZDPSRNFCTWOVGN-UHFFFAOYSA-N",361721,NA,"PDBC51550","624964","Present",NA,NA
+"51551","Phenacyl 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenacyl 5-amino-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate",NA,"C1=CC=C(C=C1)COC(=O)NC(CCC(=O)N)C(=O)OCC(=O)C2=CC=CC=C2","ZKMPPQXXKPBGLX-UHFFFAOYSA-N",4566522,NA,"PDBC51551","743403","Present",NA,NA
+"51552","Phenaleno[1,2-b]thiophen-7-one;phenaleno[2,1-b]thiophen-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenaleno[1,2-b]thiophen-7-one;phenaleno[2,1-b]thiophen-7-one",NA,"C1=CC2=C3C(=C1)C4=C(C(=O)C3=CC=C2)SC=C4.C1=CC2=C3C(=C1)C4=C(C=CS4)C(=O)C3=CC=C2","ZISGANMARTVHNR-UHFFFAOYSA-N",288480,NA,"PDBC51552","149692","Present",NA,NA
+"51553","Phenaleno[1,9-fg]quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyreno[2,1-b]pyridine",NA,"C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC=N5)C=C2","VYJCOVWIXYZRQK-UHFFFAOYSA-N",344235,NA,"PDBC51553","401030","Present",NA,NA
+"51554","Phenanthraquinone monothiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ptq-mtsz",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=C2N=NC(=S)N)O","GDHNUMIWWZGLCR-UHFFFAOYSA-N",929712,NA,"PDBC51554","134390","Present",NA,NA
+"51555","Phenanthren-10-one, 9,10-dihydro-9-hydroxy-9-(2-aminoethylthio)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthren-10-one, 9,10-dihydro-9-hydroxy-9-(2-aminoeth...",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(C2=O)(O)SCCN.Cl","XSJHLDOFYLYXDB-UHFFFAOYSA-N",212513,NA,"PDBC51555","139049","Present",NA,NA
+"51556","Phenanthrene-4-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Phenanthrenecarboxaldehyde",NA,"C1=CC=C2C(=C1)C=CC3=C2C(=CC=C3)C=O","ZCPCNJUBMFWRRB-UHFFFAOYSA-N",299447,NA,"PDBC51556","172517","Present",NA,NA
+"51557","Phenanthrene-9,10-diimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthrene-9,10-diimine",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N","ASBFNPBREVZDOE-UHFFFAOYSA-N",2981,NA,"PDBC51557","684322","Present",NA,NA
+"51558","Phenanthrene-9,10-diimine;1,10-phenanthroline;ruthenium(2+);chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthrene-9,10-diimine;1,10-phenanthroline;ruthenium(2+);chloride",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cl-].[Ru+2]","RTCCHTPMZHHTFQ-UHFFFAOYSA-M",24202034,NA,"PDBC51558","619185","Present",NA,NA
+"51559","Phenanthrene-9,10-diimine;2-pyridin-2-ylpyridine;ruthenium(2+);chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthrene-9,10-diimine;2-pyridin-2-ylpyridine;ruthenium(2+);chloride",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[Cl-].[Ru+2]","NHJRUDDAWHKLOM-UHFFFAOYSA-M",24202035,NA,"PDBC51559","619186","Present",NA,NA
+"51560","Phenanthrene-9,10-diimine;ruthenium(2+);chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthrene-9,10-diimine;ruthenium(2+);chloride",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N.C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N.C1=CC=C2C(=C1)C3=CC=CC=C3C(=N)C2=N.[Cl-].[Ru+2]","YJQATQOWAQHOPM-UHFFFAOYSA-M",24202032,NA,"PDBC51560","619182","Present",NA,NA
+"51561","Phenanthridine, 1,2,3,4,7,8,9,10-octahydro-6-pentyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthridine, 1,2,3,4,7,8,9,10-octahydro-6-pentyl- (8C...",NA,"CCCCCC1=C2CCCCC2=C3CCCCC3=N1","FNUATPIDZQSFPD-UHFFFAOYSA-N",82749,NA,"PDBC51561","127438","Present",NA,NA
+"51562","Phenanthridine-4-carboxamide, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthridine-4-carboxamide, 6-(4-methoxyphenyl)- N-[2-...",NA,"CN(C)CCNC(=O)C1=CC=CC2=C1N=C(C3=CC=CC=C23)C4=CC=C(C=C4)OC.Cl","BGQDPVUXPXHTOV-UHFFFAOYSA-N",386509,NA,"PDBC51562","678905","Present",NA,NA
+"51563","Phenanthro[3,4-d][1,3]dioxole-6-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthro[3,4-d][1,3]dioxole-6-carboxylic acid",NA,"C1OC2=C(O1)C3=C(C=C2)C(=CC4=CC=CC=C43)C(=O)O","DPHBABDLCQBJHS-UHFFFAOYSA-N",278273,NA,"PDBC51563","127687","Present",NA,NA
+"51564","Phenanthro[9,10-c][1,2,5]selenadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthro[9,10-c][1,2,5]selenadiazole",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C4=N[Se]N=C24","QVDBLNIKCAGMQA-UHFFFAOYSA-N",357320,NA,"PDBC51564","615554","Present",NA,NA
+"51565","Phenazine di-N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenazine di-N-oxide",NA,"C1=CC=C2C(=C1)N(C3=CC=CC=C3[N+]2=O)[O-]","ZMFJCQAPRNRDSK-UHFFFAOYSA-N",228615,NA,"PDBC51565","21666","Present",NA,NA
+"51566","Phenazine methosulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pms (van)",NA,"C[N+]1=C2C=CC=CC2=NC3=CC=CC=C31.COS(=O)(=O)[O-]","RXGJTUSBYWCRBK-UHFFFAOYSA-M",9285,NA,"PDBC51566","34661","Present",NA,NA
+"51567","Phenazine, 1,6-dimethoxy-, 5,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Dimethoxyphenanzine di-N-oxide",NA,"COC1=CC=CC2=C1N(C3=C([N+]2=O)C(=CC=C3)OC)[O-]","OGNXLFBCXQYFDB-UHFFFAOYSA-N",15957527,NA,"PDBC51567","742306","Present",NA,NA
+"51568","Phenazine, 1,6-dimethoxy-, 5-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,6-Dimethoxyphenazine mono-N-oxide",NA,"COC1=CC=CC2=C1[N+](=C3C=CC=C(C3=N2)OC)[O-]","YJPUKVVGBLRGID-UHFFFAOYSA-N",15957526,NA,"PDBC51568","742307","Present",NA,NA
+"51569","Phenazine, 2-chloro-, 5,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenazine, 2-chloro-, 5,10-dioxide",NA,"C1=CC=C2C(=C1)N(C3=C([N+]2=O)C=CC(=C3)Cl)[O-]","NFCIQNJPHBEHLU-UHFFFAOYSA-N",343972,NA,"PDBC51569","400607","Present",NA,NA
+"51570","Phenazinium,10-dihydro-7-iodo-5-phenyl-3-phenazinyl)amino]-7-iodo-5-phenyl-, inner salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenazinium, 3-[(5,10-dihydro-7-iodo-5-phenyl-3-phenazin...",NA,"C1=CC=C(C=C1)N2C3=CC(=NC4=CC5=C(C=C4)NC6=C(N5C7=CC=CC=C7)C=C(C=C6)I)C=CC3=NC8=C2C=C(C=C8)I","VQIDRIIUZYVFKR-UHFFFAOYSA-N",5458937,NA,"PDBC51570","402959","Present",NA,NA
+"51571","Phenazinomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenazinomycin",NA,"CC(=CCN1C2=CC=CC=C2N=C3C1=CC=CC3=O)CCC4C(=C)CCCC4(C)C","APNRZHLOPQFNMR-WEIUTZTHSA-N",5459126,NA,"PDBC51571","625545","Present",NA,NA
+"51572","Phenazopyridine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pirid",NA,"C1=CC=C(C=C1)N=NC2=C(N=C(C=C2)N)N.Cl","QQBPIHBUCMDKFG-UHFFFAOYSA-N",8691,NA,"PDBC51572","1879","Present",NA,NA
+"51573","Phenethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenethyl (E)-3-(2,5-difluorophenyl)prop-2-enoate",NA,"C1=CC=C(C=C1)CCOC(=O)C=CC2=C(C=CC(=C2)F)F","OVMWTYMBYHQFMZ-RMKNXTFCSA-N",5468962,NA,"PDBC51573","680316","Present",NA,NA
+"51574","Phenethyl 3-(2,5-dihydroxyphenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenepropanoic acid, 2,5-dihydroxy-, 2-phenylethylester",NA,"C1=CC=C(C=C1)CCOC(=O)CCC2=C(C=CC(=C2)O)O","HANVRACIAIQRLU-UHFFFAOYSA-N",387004,NA,"PDBC51574","680317","Present",NA,NA
+"51575","Phenethyl isothiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenethyl Isothiocyanate",NA,"C1=CC=C(C=C1)CCN=C=S","IZJDOKYDEWTZSO-UHFFFAOYSA-N",16741,NA,"PDBC51575","87868","Present",NA,NA
+"51576","Phenethylamine, N-isopropyl-alpha-methyl-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenethylamine, N-isopropyl-.alpha.-methyl-, hydrochloride",NA,"CC(C)NC(C)CC1=CC=CC=C1.Cl","JTEZUILSFLCPDP-UHFFFAOYSA-N",213535,NA,"PDBC51576","39688","Present",NA,NA
+"51577","Phenol (9CI), dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Cresol, 4-[(3-chloro-9-acridinyl)amino]-.alpha.-diethy...",NA,"CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)Cl)O.Cl","APDQMBHJHISBFM-UHFFFAOYSA-N",24184091,NA,"PDBC51577","32938","Present",NA,NA
+"51578","Phenol red",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p. s. p.",NA,"C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","BELBBZDIHDAJOR-UHFFFAOYSA-N",4766,NA,"PDBC51578","10459","Present",NA,NA
+"51579","Phenol, (2,2'-(2,2,2-trichloroethylidene)bis(4-chloro-)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2,2'-(2,2,2-trichloroethylidene)bis[4-chloro- (9CI)",NA,"C1=CC(=C(C=C1Cl)C(C2=C(C=CC(=C2)Cl)O)C(Cl)(Cl)Cl)O","HDYCPSGGGILQTK-UHFFFAOYSA-N",220721,NA,"PDBC51579","3865","Present",NA,NA
+"51580","Phenol, 2,2'-ethylidenebis(4-chloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AI3-04819",NA,"CC(C1=C(C=CC(=C1)Cl)O)C2=C(C=CC(=C2)Cl)O","USUGTMHBBHEXJX-UHFFFAOYSA-N",95029,NA,"PDBC51580","14195","Present",NA,NA
+"51581","Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[4-(methylsulfonyl)phenyl]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[4-(methylsulfonyl)phenyl]methyl]-",NA,"CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=C(C=C2)S(=O)(=O)C","GFKMGQYGOLGWQV-UHFFFAOYSA-N",362899,NA,"PDBC51581","627373","Present",NA,NA
+"51582","Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[4-(methylthio)phenyl]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2,4-bis(1,1-dimethylethyl)-6-[[4-(methylthio)phenyl]methyl]-",NA,"CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=C(C=C2)SC","OCCPESPJCOOWOX-UHFFFAOYSA-N",362900,NA,"PDBC51582","627374","Present",NA,NA
+"51583","Phenol, 2-(2,8-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocin-13-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5,13-Dimethyl-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaen-17-yl)phenol",NA,"CC1=CC2=C(C=C1)N3CC4=C(C=CC(=C4)C)N(C2)C3C5=CC=CC=C5O","YLAXJAFJRPVOPH-UHFFFAOYSA-N",361906,NA,"PDBC51583","625318","Present",NA,NA
+"51584","Phenol, 2-[5-(3-bromophenyl)-3-isoxazolyl]-4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2-[5-(3-bromophenyl)-3-isoxazolyl]-4-methyl-",NA,"CC1=CC(=C(C=C1)O)C2=NOC(=C2)C3=CC(=CC=C3)Br","CTVJQAGJMUYAOF-UHFFFAOYSA-N",403647,NA,"PDBC51584","718715","Present",NA,NA
+"51585","Phenol, 2-[[3-(3-chlorophenyl)-2-quinoxalinyl]methyl]-4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2-[[3-(3-chlorophenyl)-2-quinoxalinyl]methyl]-4-methyl-",NA,"CC1=CC(=C(C=C1)O)CC2=NC3=CC=CC=C3N=C2C4=CC(=CC=C4)Cl","ORBIYVQLNXNTSJ-UHFFFAOYSA-N",403643,NA,"PDBC51585","718711","Present",NA,NA
+"51586","Phenol, 2-[[4-(dimethylamino)phenyl]methyl]-4,6-bis(1,1-dimethylethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 2-[[4-(dimethylamino)phenyl]methyl]-4,6-bis(1,1-dimethylethyl)-",NA,"CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)O)CC2=CC=C(C=C2)N(C)C","LMJXPIAUXWCFLM-UHFFFAOYSA-N",362898,NA,"PDBC51586","627372","Present",NA,NA
+"51587","Phenol, 3,5-dichloro-4-[(4-nitrophenyl)azo]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 3,5-dichloro-4-[(4-nitrophenyl)azo]-",NA,"C1=CC(=CC=C1N=NC2=C(C=C(C=C2Cl)O)Cl)[N+](=O)[O-]","ZTXWNIBRQUVRQR-UHFFFAOYSA-N",256444,NA,"PDBC51587","83318","Present",NA,NA
+"51588","Phenol, 4-((2-(4-hydroxyphenyl)-1H-benzimidazol-1-yl)methyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzimidazole, 1-(4-hydroxybenzyl)-2-(4-hydroxyphenyl)-1...",NA,"C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)O)C4=CC=C(C=C4)O","UCPIAPAZIWRDBJ-UHFFFAOYSA-N",373076,NA,"PDBC51588","648927","Present",NA,NA
+"51589","Phenol, 4-[(E)-[[(octahydro-2H-quinolizin-1-yl)methyl]imino]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(1E)-3-(6-azabicyclo[4.4.0]dec-2-yl)-2-azaprop-1-enyl]phenol",NA,"C1CCN2CCCC(C2C1)CN=CC3=CC=C(C=C3)O","CQQPHVVCNFQDKX-UHFFFAOYSA-N",394203,NA,"PDBC51589","697485","Present",NA,NA
+"51590","Phenol, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenyl, 4-[[[4-[(phenylmethyl)amino]phenyl]methyl]thio]-",NA,"C1=CC=C(C=C1)CNC2=CC=C(C=C2)CSC3=CC=C(C=C3)O","FBKLCZPXKYOIAC-UHFFFAOYSA-N",319188,NA,"PDBC51590","260922","Present",NA,NA
+"51591","Phenol, 4-nitro-2-[[(4-phenyl-2-thiazolyl)imino]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Nitro-2-[(E)-(4-phenyl-1,3-thiazol-2-yl)iminomethyl]phenol",NA,"C1=CC=C(C=C1)C2=CSC(=N2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])O","WEHOGRSUNLNPPI-RQZCQDPDSA-N",135505166,NA,"PDBC51591","697488","Present",NA,NA
+"51592","Phenol, acetate (ester), monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 4-(9-acridinylamino)-, acetate (ester), monohydr...",NA,"CC(=O)OC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42.Cl","LIBJGMQHUROHBP-UHFFFAOYSA-N",24195681,NA,"PDBC51592","194261","Present",NA,NA
+"51593","Phenol, cobalt(+3) complex, monoazide salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenol, 4-ethyl-2-[(E)-[[3-[[3-[[(1E)-(2-hydroxy- 5-meth...",NA,"CCC1=CC(=C(C=C1)[O-])C=NCCCN(C)CCCN=CC2=C(C=CC(=C2)C)[O-].[N-]=[N+]=[N-].[Co+3]","OENGSCWUVRHEJV-UHFFFAOYSA-L",5459108,NA,"PDBC51593","618077","Present",NA,NA
+"51594","Phenolnaphthalein derivative, 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenolnaphthalein derivative, 1",NA,"C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC(=C(C=C4)O)F)C5=CC(=C(C=C5)O)F","SPKXRRWGTBJOFK-UHFFFAOYSA-N",403898,NA,"PDBC51594","719487","Present",NA,NA
+"51595","Phenosafranin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenosafranin",NA,"C1=CC=C(C=C1)[N+]2=C3C=C(C=CC3=NC4=C2C=C(C=C4)N)N.[Cl-]","SOUHUMACVWVDME-UHFFFAOYSA-N",65732,NA,"PDBC51595","9855","Present",NA,NA
+"51596","Phenothiazine, di-hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenothiazine, 10-[2-methyl-3-(4-methyl-1-piperazinyl)pr...",NA,"CC(CN1CCN(CC1)C)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl","XWBFOIGJDPLQJA-UHFFFAOYSA-N",54599872,NA,"PDBC51596","50440","Present",NA,NA
+"51597","Phenothiazine, difumarate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenothiazine, 2-azido-10-[4-(4-methyl-1-piperazinyl)butyl]-, difumarate",NA,"CN1CCN(CC1)CCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)N=[N+]=[N-].C(=CC(=O)O)C(=O)O","MOFVICCXFFSCJU-BTJKTKAUSA-N",54608153,NA,"PDBC51597","676879","Present",NA,NA
+"51598","Phenothiazine, disuccinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanedioic acid, compd. with 10-[3-(4-methyl-1-piperazi...",NA,"CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.C(CC(=O)O)C(=O)O","JMZPVBWHQMLKEL-UHFFFAOYSA-N",5351168,NA,"PDBC51598","46061","Present",NA,NA
+"51599","Phenoxan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenoxan",NA,"CCC1=C(OC(=C(C1=O)C)OC)C2=COC(=N2)CCC(=CC3=CC=CC=C3)C","OFVMLCJEDYAOIB-FYWRMAATSA-N",5467345,NA,"PDBC51599","650914","Present",NA,NA
+"51600","Phenoxathiin-2-ylmethyl carbamimidothioate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691900",NA,"C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)CSC(=N)N.Cl","DMGWJYXDJICWHA-UHFFFAOYSA-N",392088,NA,"PDBC51600","691900","Present",NA,NA
+"51601","Phenoxathiine-4-carbohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenoxathiine-4-carbohydrazide",NA,"C1=CC=C2C(=C1)OC3=C(C=CC=C3S2)C(=O)NN","XHWZCJKPJAVTSA-UHFFFAOYSA-N",227334,NA,"PDBC51601","18880","Present",NA,NA
+"51602","Phenyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl (1S,5S,8Z,12S,20R)-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14,16,18-tetraen-6,10-diyne-13-carboxylate",NA,"C1CC2C#CC=CC#CC3C4(C1)C2(O4)C5=CC=CC=C5N3C(=O)OC6=CC=CC=C6","FNZFZJJRAOLVCB-SBJOHIGOSA-N",5468682,NA,"PDBC51602","674449","Present",NA,NA
+"51603","Phenyl (2,4-dioxo-2H-chromen-3(4H)-ylidene)methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl (2,4-dioxo-2H-chromen-3(4H)-ylidene)methylcarbamate",NA,"C1=CC=C(C=C1)OC(=O)N=CC2=C(C3=CC=CC=C3OC2=O)O","RUIMCHYMTLKUCZ-VCHYOVAHSA-N",135409214,NA,"PDBC51603","667002","Present",NA,NA
+"51604","Phenyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, phenyl ester...",NA,"C1=CC=C(C=C1)OC(=O)C=CC2=CC(=C(C=C2)O)O","LDBPIZIYTBIRPM-VQHVLOKHSA-N",5910817,NA,"PDBC51604","700127","Present",NA,NA
+"51605","Phenyl (E)-3-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl (E)-3-(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)prop-2-enoate",NA,"CN1C(=C(C(=O)N(C1=O)C)C=CC(=O)OC2=CC=CC=C2)N","XACSUPQVNLTVIS-CMDGGOBGSA-N",5469331,NA,"PDBC51605","686403","Present",NA,NA
+"51606","Phenyl 1-(((1,3-dibromo-5-hydroxy-6-oxo-5,6-dihydro-4H-cyclopenta[c]thien-4-yl)amino)carbonyl)-2-methylpropylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl N-[1-[(1,3-dibromo-5-hydroxy-4-oxo-5,6-dihydrocyclopenta[c]thiophen-6-yl)amino]-3-methyl-1-oxobutan-2-yl]carbamate",NA,"CC(C)C(C(=O)NC1C(C(=O)C2=C(SC(=C12)Br)Br)O)NC(=O)OC3=CC=CC=C3","VIVBQHNRIQBHIH-UHFFFAOYSA-N",378803,NA,"PDBC51606","662122","Present",NA,NA
+"51607","Phenyl 1-cyano-1-phenylethyl(2-phenylethyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 1-cyano-1-phenylethyl(2-phenylethyl)carbamate",NA,"CC(C#N)(C1=CC=CC=C1)N(CCC2=CC=CC=C2)C(=O)OC3=CC=CC=C3","FUWLTBFRTDYGSY-UHFFFAOYSA-N",387710,NA,"PDBC51607","681739","Present",NA,NA
+"51608","Phenyl 2,3-dibromo-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 2,3-dibromo-3-phenylpropanoate",NA,"C1=CC=C(C=C1)C(C(C(=O)OC2=CC=CC=C2)Br)Br","ZAXQJVJMPQUZSW-UHFFFAOYSA-N",231771,NA,"PDBC51608","28484","Present",NA,NA
+"51609","Phenyl 2,4-dihydroxy-5-pyrimidinylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 2,4-dihydroxy-5-pyrimidinylcarbamate",NA,"C1=CC=C(C=C1)OC(=O)NC2=CNC(=O)NC2=O","GWLJOJIFRCVMGV-UHFFFAOYSA-N",253997,NA,"PDBC51609","77597","Present",NA,NA
+"51610","Phenyl 2-(3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 2-(3-cyclohexyl-2,4,6-trioxo-1,3-diazinan-1-yl)benzenesulfonate",NA,"C1CCC(CC1)N2C(=O)CC(=O)N(C2=O)C3=CC=CC=C3S(=O)(=O)OC4=CC=CC=C4","BEFDXEZAPJMFBK-UHFFFAOYSA-N",334318,NA,"PDBC51610","339124","Present",NA,NA
+"51611","Phenyl 2-(phenylmethoxycarbonylamino)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RLKHNNGEYFFESK-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)COC(=O)NCC(=O)OC2=CC=CC=C2","RLKHNNGEYFFESK-UHFFFAOYSA-N",357740,NA,"PDBC51611","617260","Present",NA,NA
+"51612","Phenyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 2-cyano-6-methyl-2H-quinoline-1-carboxylate",NA,"CC1=CC2=C(C=C1)N(C(C=C2)C#N)C(=O)OC3=CC=CC=C3","HRWJILHXBLUMEN-UHFFFAOYSA-N",324207,NA,"PDBC51612","288680","Present",NA,NA
+"51613","Phenyl 2-cyanoquinoline-1(2h)-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 2-cyanoquinoline-1(2h)-carboxylate",NA,"C1=CC=C(C=C1)OC(=O)N2C(C=CC3=CC=CC=C32)C#N","JFWWEBYJFNRKAL-UHFFFAOYSA-N",288257,NA,"PDBC51613","149011","Present",NA,NA
+"51614","Phenyl 3,5-bis(methoxymethoxy)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 3,5-bis(methoxymethoxy)benzoate",NA,"COCOC1=CC(=CC(=C1)C(=O)OC2=CC=CC=C2)OCOC","GIXZJRJUYIPGMU-UHFFFAOYSA-N",395476,NA,"PDBC51614","700117","Present",NA,NA
+"51615","Phenyl 3-(3,3-dimethyltriazeno)-p-toluate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-154281",NA,"CC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2)N=NN(C)C","BWZLIYAVTBMFEA-UHFFFAOYSA-N",374078,NA,"PDBC51615","651338","Present",NA,NA
+"51616","Phenyl 4-(1-hydroxypropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 4-(1-hydroxypropan-2-yl)-2-(3-phenylmethoxyprop-1-ynyl)-2H-quinoline-1-carboxylate",NA,"CC(CO)C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#CCOCC4=CC=CC=C4","NCJYCHFVSNVILT-UHFFFAOYSA-N",6712814,NA,"PDBC51616","715327","Present",NA,NA
+"51617","Phenyl 4-[(2R)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 4-[(2R)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate",NA,"CC(CO)C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#C[Si](C)(C)C","QMBUWUDOIGQBNM-OYKVQYDMSA-N",5471910,NA,"PDBC51617","715329","Present",NA,NA
+"51618","Phenyl 4-[(2S)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 4-[(2S)-1-hydroxypropan-2-yl]-2-(2-trimethylsilylethynyl)-2H-quinoline-1-carboxylate",NA,"CC(CO)C1=CC(N(C2=CC=CC=C21)C(=O)OC3=CC=CC=C3)C#C[Si](C)(C)C","QMBUWUDOIGQBNM-MRTLOADZSA-N",5471909,NA,"PDBC51618","715328","Present",NA,NA
+"51619","Phenyl 4-chloro-3-nitrobenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DXNLDBASBALMSX-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)OS(=O)(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]","DXNLDBASBALMSX-UHFFFAOYSA-N",266121,NA,"PDBC51619","103231","Present",NA,NA
+"51620","Phenyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride",NA,"CC1=C(NC(=C1C(=O)OC2=CC=CC=C2)C)C=C3C(=CC(=N3)C4=CC=CN4)OC.Cl","IFBGRJRYJDVQLD-GRWWMUSUSA-N",136040168,NA,"PDBC51620","753666","Present",NA,NA
+"51621","Phenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 6-(chloromethyl)-2-oxo-2H-chromene-3-carboxylate",NA,"C1=CC=C(C=C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","VLAVQNSKKDLVGI-UHFFFAOYSA-N",402499,NA,"PDBC51621","716525","Present",NA,NA
+"51622","Phenyl 7-fluoro-4-oxo-4H-chromene-3-sulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl 7-fluoro-4-oxo-4H-chromene-3-sulfonate",NA,"C1=CC=C(C=C1)OS(=O)(=O)C2=COC3=C(C2=O)C=CC(=C3)F","ZFFKRDOUKXIAQE-UHFFFAOYSA-N",382411,NA,"PDBC51622","669972","Present",NA,NA
+"51623","Phenyl N,N-bis(2-chloroethyl)-N'-phenyldiamidophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Bis(2-chloroethyl)amino-phenoxy-phosphoryl]aniline",NA,"C1=CC=C(C=C1)NP(=O)(N(CCCl)CCCl)OC2=CC=CC=C2","ZETCJHOQMBKILQ-UHFFFAOYSA-N",370332,NA,"PDBC51623","643191","Present",NA,NA
+"51624","Phenyl N-(2-phenylimidazo[1,2-a]pyridin-6-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl N-(2-phenylimidazo[1,2-a]pyridin-6-yl)carbamate",NA,"C1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)NC(=O)OC4=CC=CC=C4","OHJQGUHKCHBHLC-UHFFFAOYSA-N",398321,NA,"PDBC51624","708035","Present",NA,NA
+"51625","Phenyl N-(6,8-dibromo-2-oxochromene-3-carbonyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl N-(6,8-dibromo-2-oxochromene-3-carbonyl)carbamate",NA,"C1=CC=C(C=C1)OC(=O)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br","WMXQJMBYTPEWGQ-UHFFFAOYSA-N",359132,NA,"PDBC51625","619702","Present",NA,NA
+"51626","Phenyl N-cyano-N'-(2-(1H-indol-3-yl)ethyl)imidocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Cyano-3-[2-(1H-indol-3-yl)ethyl]-2-phenyl-isourea",NA,"C1=CC=C(C=C1)OC(=NCCC2=CNC3=CC=CC=C32)NC#N","XVJFEGCIJZOKAV-UHFFFAOYSA-N",375247,NA,"PDBC51626","654636","Present",NA,NA
+"51627","Phenyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetylphenol",NA,"CC(=O)OC1=CC=CC=C1","IPBVNPXQWQGGJP-UHFFFAOYSA-N",31229,NA,"PDBC51627","27795","Present",NA,NA
+"51628","Phenyl carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl carbamate",NA,"C1=CC=C(C=C1)OC(=O)N","BSCCSDNZEIHXOK-UHFFFAOYSA-N",69322,NA,"PDBC51628","66509","Present",NA,NA
+"51629","Phenyl cyano(phenyl)methyl(2-phenylethyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl cyano(phenyl)methyl(2-phenylethyl)carbamate",NA,"C1=CC=C(C=C1)CCN(C(C#N)C2=CC=CC=C2)C(=O)OC3=CC=CC=C3","BSXCMSZGKZFGJP-UHFFFAOYSA-N",387708,NA,"PDBC51629","681737","Present",NA,NA
+"51630","Phenyl cyano(phenyl)methyl(hexyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl cyano(phenyl)methyl(hexyl)carbamate",NA,"CCCCCCN(C(C#N)C1=CC=CC=C1)C(=O)OC2=CC=CC=C2","RMPDARWUDHEONV-UHFFFAOYSA-N",387709,NA,"PDBC51630","681738","Present",NA,NA
+"51631","Phenyl diphenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, diphenyl-, phenyl ester (8CI)",NA,"C1=CC=C(C=C1)N(C2=CC=CC=C2)C(=O)OC3=CC=CC=C3","XSJJNRDFIMCZRS-UHFFFAOYSA-N",221776,NA,"PDBC51631","6821","Present",NA,NA
+"51632","Phenyl gallate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 3,4,5-trihydroxy-, phenyl ester",NA,"C1=CC=C(C=C1)OC(=O)C2=CC(=C(C(=C2)O)O)O","HBZMQFJTPHSKNH-UHFFFAOYSA-N",333279,NA,"PDBC51632","333571","Present",NA,NA
+"51633","Phenyl prop-1-ynyl sulphone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl prop-1-ynyl sulphone",NA,"CC#CS(=O)(=O)C1=CC=CC=C1","LYYXDHMLCDVGGI-UHFFFAOYSA-N",137626,NA,"PDBC51633","168905","Present",NA,NA
+"51634","Phenyl thiourea ethylene diamino isosampangine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl thiourea ethylene diamino isosampangine",NA,"C1=CC=C(C=C1)NC(=S)NCCNC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5","YHTZRIOZBJKOIY-UHFFFAOYSA-N",46854492,NA,"PDBC51634","723396","Present",NA,NA
+"51635","Phenyl(2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl(2,2,4,4-tetraoxido-1,5,2,4-dioxadithiepan-3-yl)methanone",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)C(=O)C2=CC=CC=C2","YHZXTNMSOFRFSU-UHFFFAOYSA-N",372719,NA,"PDBC51635","648302","Present",NA,NA
+"51636","Phenyl(2-phenylthieno[2,3-b]quinoxalin-3-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl(2-phenylthieno[2,3-b]quinoxalin-3-yl)methanone",NA,"C1=CC=C(C=C1)C2=C(C3=NC4=CC=CC=C4N=C3S2)C(=O)C5=CC=CC=C5","GQRULGOKPURVQE-UHFFFAOYSA-N",364665,NA,"PDBC51636","631261","Present",NA,NA
+"51637","Phenyl(2-trimethylsilylethynyl)iodanium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646705",NA,"C[Si](C)(C)C#C[I+]C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]","ZNAYYADNSBQPEH-UHFFFAOYSA-M",10972396,NA,"PDBC51637","646705","Present",NA,NA
+"51638","Phenyl(3-phenyl-1-(phenylsulfonyl)-2-aziridinyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl(3-phenyl-1-(phenylsulfonyl)-2-aziridinyl)methanone",NA,"C1=CC=C(C=C1)C2C(N2S(=O)(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","VYYHECSZIFMLKM-UHFFFAOYSA-N",389290,NA,"PDBC51638","685109","Present",NA,NA
+"51639","Phenyl(prop-1-ynyl)iodanium;trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl(prop-1-ynyl)iodanium;trifluoromethanesulfonate",NA,"CC#C[I+]C1=CC=CC=C1.C(F)(F)(F)S(=O)(=O)[O-]","CTCCFJOOGLASKQ-UHFFFAOYSA-M",11111958,NA,"PDBC51639","646703","Present",NA,NA
+"51640","Phenyl(tribromomethyl)mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Mercury, phenyl(tribromomethyl)-",NA,"C1=CC=C(C=C1)[Hg]C(Br)(Br)Br","PLHSKXBFZPAQOD-UHFFFAOYSA-N",76801,NA,"PDBC51640","173931","Present",NA,NA
+"51641","Phenyl-(2-phenylphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenylbenzophenone",NA,"C1=CC=C(C=C1)C2=CC=CC=C2C(=O)C3=CC=CC=C3","ZBVQEUUTPTVMHY-UHFFFAOYSA-N",407452,NA,"PDBC51641","5639","Present",NA,NA
+"51642","Phenyl-2-nitrophenyl sulfoximine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl-2-nitrophenyl sulfoximine",NA,"C1=CC=C(C=C1)S(=N)(=O)C2=CC=CC=C2[N+](=O)[O-]","NHHZERQGWKPSPS-UHFFFAOYSA-N",372256,NA,"PDBC51642","647311","Present",NA,NA
+"51643","Phenyl-2-nitrophenylsulfilimine, hydrochloride [1:1]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl-2-nitrophenylsulfilimine, hydrochloride [1:1]",NA,"C1=CC=C(C=C1)S(=N)C2=CC=CC=C2[N+](=O)[O-].Cl","BIFAFLUXNOBGHC-UHFFFAOYSA-N",372409,NA,"PDBC51643","647460","Present",NA,NA
+"51644","Phenyl-[(1R,2R)-2-phenylselanyl-2-trimethylsilylcyclobutyl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644012",NA,"C[Si](C)(C)C1(CCC1C(=O)C2=CC=CC=C2)[Se]C3=CC=CC=C3","SNQNYOYTMQNFNH-QUCCMNQESA-N",6711822,NA,"PDBC51644","644012","Present",NA,NA
+"51645","Phenyl-[(4Z,5Z)-3-(p-tolyl)-4,5-bis(p-tolylimino)-2-thioxo-imidazolidin-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl-[(4Z,5Z)-3-(p-tolyl)-4,5-bis(p-tolylimino)-2-thioxo-imidazolidin-1-yl]methanone",NA,"CC1=CC=C(C=C1)N=C2C(=NC3=CC=C(C=C3)C)N(C(=S)N2C4=CC=C(C=C4)C)C(=O)C5=CC=CC=C5","GBUNEGROTKRLBG-UHFFFAOYSA-N",383279,NA,"PDBC51645","671393","Present",NA,NA
+"51646","Phenyl-[2-[2,3,4,5-tetrachloro-6-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-benzimidazol-5-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl-[2-[2,3,4,5-tetrachloro-6-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-3H-benzimidazol-5-yl]methanone",NA,"C1=CC=C(C=C1)C2=NN=C(O2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=C(N4)C=C(C=C5)C(=O)C6=CC=CC=C6","XPQWRFMWKOTDFW-UHFFFAOYSA-N",402241,NA,"PDBC51646","716132","Present",NA,NA
+"51647","Phenyl-[2-[2,3,4,5-tetrachloro-6-[5-(3,6-dichloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl-[2-[2,3,4,5-tetrachloro-6-[5-(3,6-dichloro-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-3H-benzimidazol-5-yl]methanone",NA,"COC1=C(C=CC(=C1C2=NN=C(O2)C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C4=NC5=C(N4)C=C(C=C5)C(=O)C6=CC=CC=C6)Cl)Cl","HBXLYVMEBGBGLR-UHFFFAOYSA-N",402243,NA,"PDBC51647","716134","Present",NA,NA
+"51648","Phenyl-[5-(pyridin-3-ylamino)-1,2-oxazolidin-2-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenyl[5-(pyridin-3-ylamino)-1,2-oxazolidin-2-yl]methanone",NA,"C1CN(OC1NC2=CN=CC=C2)C(=O)C3=CC=CC=C3","YIORQQBRGXBSPY-UHFFFAOYSA-N",377013,NA,"PDBC51648","658231","Present",NA,NA
+"51649","Phenyl-dipyrenylphosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"POPy2",NA,"COC1=CC=C(C=C1)C(CC(=O)C2=CC=C(C=C2)O)C(C(C3C(=O)NC(=S)NC3=O)C4=CC=C(C=C4)OC)C(=O)C5=CC=C(C=C5)O","USSDWOBCBIQPKN-UHFFFAOYSA-N",5472842,NA,"PDBC51649","721969","Present",NA,NA
+"51650","Phenylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenylacetic acid",NA,"C1=CC=C(C=C1)CC(=O)O","WLJVXDMOQOGPHL-UHFFFAOYSA-N",999,NA,"PDBC51650","125718","Present",NA,NA
+"51651","Phenylalanine, N-(3-bromobenzoyl)-4-iodo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenylalanine, N-(3-bromobenzoyl)-4-iodo-",NA,"C1=CC(=CC(=C1)Br)C(=O)NC(CC2=CC=C(C=C2)I)C(=O)O","SONBIKCMTGMUHM-UHFFFAOYSA-N",336955,NA,"PDBC51651","353284","Present",NA,NA
+"51652","Phenylalanine, N-(4-bromobenzoyl)-4-iodo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenylalanine, N-(4-bromobenzoyl)-4-iodo-",NA,"C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)Br)I","UTLBSYBMRWJKBX-UHFFFAOYSA-N",336953,NA,"PDBC51652","353282","Present",NA,NA
+"51653","Phenylalanine, N-(fluorophenylboryl)-N-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenylalanine, N-(fluorophenylboryl)-N-methyl-",NA,NA,NA,NA,NA,"PDBC51653","656976","Present",NA,NA
+"51654","Phenylbiguanide mbt-salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenylbiguanide mbt-salt",NA,"C1=CC=C(C=C1)N=C(N)N=C(N)N.C1=CC=C2C(=C1)NC(=S)S2","HQXQVKSGCXSRGH-UHFFFAOYSA-N",3034162,NA,"PDBC51654","8174","Present",NA,NA
+"51655","Phenylboronic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]-, pinacol cyclic ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenylboronic acid, 4-[bis[2-[(methylsulfonyl)oxy]ethyl]...",NA,"B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C","RBNUCWPUHZQCLG-UHFFFAOYSA-N",60147484,NA,"PDBC51655","732534","Present",NA,NA
+"51656","Phenylethyl 3-methylcaffeate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC671193",NA,"COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O","CZQNYPBIOHVQQN-CSKARUKUSA-N",5284444,NA,"PDBC51656","671193","Present",NA,NA
+"51657","Phenylmercury benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenylmercury benzoate",NA,"C1=CC=C(C=C1)C(=O)O[Hg]C2=CC=CC=C2","ZXFQZMVPEYERPI-UHFFFAOYSA-M",16682929,NA,"PDBC51657","84248","Present",NA,NA
+"51658","Phenylmethylsulfonyl fluoride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pmsf",NA,"C1=CC=C(C=C1)CS(=O)(=O)F","YBYRMVIVWMBXKQ-UHFFFAOYSA-N",4784,NA,"PDBC51658","88499","Present",NA,NA
+"51659","Phenyramidol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"elan",NA,"C1=CC=C(C=C1)C(CNC2=CC=CC=N2)O.Cl","HYYDHUILGLWOOP-UHFFFAOYSA-N",9469,NA,"PDBC51659","17777","Present",NA,NA
+"51660","Pheophorbide a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pheophorbide a",NA,"CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)OC)O)C)C","RKEBXTALJSALNU-LDCXZXNSSA-N",253193,NA,"PDBC51660","75783","Present",NA,NA
+"51661","Pheophorbide b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pheophorbide b",NA,"CCC1=C2C=C3C(=C4C(=O)C(C(=C5C(C(C(=CC6=NC(=CC(=N2)C1=CO)C(=C6C)C=C)N5)C)CCC(=O)O)C4=N3)C(=O)OC)C","KZTYPOGXRFTJBN-MMLDQJOMSA-N",135426827,NA,"PDBC51661","75782","Present",NA,NA
+"51662","Phidianidine a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phidianidine A",NA,"C1=CC2=C(C=C1Br)NC=C2CC3=NC(=NO3)NCCCCCN=C(N)N","SSDJERJRAHRKGJ-UHFFFAOYSA-N",59053149,NA,"PDBC51662","764069","Present",NA,NA
+"51663","Philonotisflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Philonotisflavone",NA,"C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)C4=C(C=CC(=C4O)O)C5=CC(=O)C6=C(C=C(C=C6O5)O)O)O)O","MJRDPDQSEGRCID-UHFFFAOYSA-N",5469098,NA,"PDBC51663","683134","Present",NA,NA
+"51664","Phimm",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pimm",NA,"C1=CC=C(C=C1)[Hg]N2C(=O)C3C(C2=O)C4(C(=C(C3(C4(Cl)Cl)Cl)Cl)Cl)Cl","FNZAAEDNGCUHJL-UHFFFAOYSA-M",110719,NA,"PDBC51664","22201","Present",NA,NA
+"51665","Phleomycin (8CI 9CI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phleomycin (8CI 9CI)",NA,NA,NA,NA,NA,"PDBC51665","61586","Present",NA,NA
+"51666","Phloeodictine A 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phloeodictine A 1",NA,"C=CCCCCCCCCCCC1(C=CC2=[N+](CCCN21)CCCCCN=C(N)N)O.Cl.[Cl-]","QFKQZEJNXPZISH-UHFFFAOYSA-M",24203015,NA,"PDBC51666","726512","Present",NA,NA
+"51667","Phlorizine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phlorizin",NA,"C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2OC3C(C(C(C(O3)CO)O)O)O)O)O)O","IOUVKUPGCMBWBT-UHFFFAOYSA-N",4789,NA,"PDBC51667","2833","Present",NA,NA
+"51668","Pholedrine sulphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pholedrine sulfate",NA,"CC(CC1=CC=C(C=C1)O)NC.OS(=O)(=O)O","PFBFUZCCJVXPKX-UHFFFAOYSA-N",12314174,NA,"PDBC51668","96983","Present",NA,NA
+"51669","Phomazarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phomazarin",NA,"CCCCC1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=O)C(=C(N3)C(=O)O)O)O)OC","YGIXUDSUMVVCHC-UHFFFAOYSA-N",318385,NA,"PDBC51669","254677","Present",NA,NA
+"51670","Phomopsolide D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phomopsolide D",NA,"CC=C(C)C(=O)OC1C=CC(=O)OC1CCC(C(C)O)O","ZFVYHTGRRBKBJE-BUEHMHBYSA-N",11460721,NA,"PDBC51670","740602","Present",NA,NA
+"51671","Phomopsolide E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phomopsolide E",NA,"CC=C(C)C(=O)OC1C=CC(=O)OC1CCC(=O)C(C)O","DZUFXUWCLMAHIK-VOUBRIMZSA-N",45028010,NA,"PDBC51671","740603","Present",NA,NA
+"51672","Phorbol, diacetyl-12-octadienoyl-4-deoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHORBOL, DIACETYL-12-OCTADIENOYL-4-DEOXY-",NA,"CCCC=CC=CC(=O)OC1C(C2(C3C=C(C(=O)C3CC(=CC2C4C1(C4(C)C)OC(=O)C)COC(=O)C)C)O)C","AQNPLFNMZANJHM-YJAFVAKHSA-N",5384537,NA,"PDBC51672","339875","Present",NA,NA
+"51673","Phosphine oxide, ethyldimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphine oxide, ethyldimethyl-",NA,"CCP(=O)(C)C","DKPBGPGFLDMHRG-UHFFFAOYSA-N",357576,NA,"PDBC51673","617056","Present",NA,NA
+"51674","Phosphine, (dichloromethylene)[2,4,6-tris(1,1-dimethylethyl)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphine, (dichloromethylene)[2,4,6-tris(1,1-dimethylethyl)phenyl]-",NA,"CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)P=C(Cl)Cl)C(C)(C)C","DPPBWVLXJGGWOP-UHFFFAOYSA-N",394572,NA,"PDBC51674","698141","Present",NA,NA
+"51675","Phosphine, tris[2-(methylthio)phenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DRQSTMDEXDIYTG-UHFFFAOYSA-N",NA,"CSC1=CC=CC=C1P(C2=CC=CC=C2SC)C3=CC=CC=C3SC","DRQSTMDEXDIYTG-UHFFFAOYSA-N",398155,NA,"PDBC51675","707687","Present",NA,NA
+"51676","Phosphinic acid, [3-(methylthio)-1-[[(phenylacetyl)oxy]amino]propyl]phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphinic acid, [3-(methylthio)-1-[[(phenylacetyl)oxy]amino]propyl]phenyl-",NA,"CSCCC(NOC(=O)CC1=CC=CC=C1)P(=O)(C2=CC=CC=C2)O","AXKVUUYOQMFTKZ-UHFFFAOYSA-N",382185,NA,"PDBC51676","669644","Present",NA,NA
+"51677","Phosphinic acid, bis(1-aziridinyl)-, 2-naphthyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphinic acid, bis(1-aziridinyl)-, 2-naphthyl ester",NA,NA,NA,NA,NA,"PDBC51677","55720","Present",NA,NA
+"51678","Phosphinic acid, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphinic acid, [1-(hydroxyimino)-2-phenylethyl] methyl...",NA,"COP(=O)(C)C(=NO)CC1=CC=CC=C1","NFNSCRWAQXPMNQ-KHPPLWFESA-N",6082545,NA,"PDBC51678","669680","Present",NA,NA
+"51679","Phosphinic amide, P,P-bis(1-aziridinyl)-N-(1-adamantyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphinic amide, P,P-bis(1-aziridinyl)-N-tricyclo[3.3.1...",NA,"C1CN1P(=O)(NC23CC4CC(C2)CC(C4)C3)N5CC5","MXRAUZXJODDPPN-UHFFFAOYSA-N",64376,NA,"PDBC51679","166199","Present",NA,NA
+"51680","Phosphinic amide,P-bis(2,2-dimethyl-1-aziridinyl)-N-2-pyrimidinyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphinic amide, P,P-bis(2,2-dimethyl-1-aziridinyl)-N-2...",NA,"CC1(CN1P(=O)(NC2=NC=CC=N2)N3CC3(C)C)C","FVCNRTJRLGEWKB-UHFFFAOYSA-N",270614,NA,"PDBC51680","113112","Present",NA,NA
+"51681","Phosphinothioic acid, O-propyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphinothioic acid, bis(1-aziridinyl)-, O-propyl ester",NA,"CCCOP(=S)(N1CC1)N2CC2","UXWXOVFMTKNTNP-UHFFFAOYSA-N",413097,NA,"PDBC51681","44965","Present",NA,NA
+"51682","Phosphonamidic acid,N-bis(2-chloroethyl)-, 3-hydroxybutyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonamidic acid, P-1-aziridinyl-N,N-bis(2-chloroethy...",NA,"CC(CCOP(=O)(N1CC1)N(CCCl)CCCl)O","MAKFSABVWJGETN-UHFFFAOYSA-N",323645,NA,"PDBC51682","285682","Present",NA,NA
+"51683","Phosphonemycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"veramina",NA,"CC1C(O1)P(=O)(O)O.[Na+]","JHXHBFDOOUMZSP-UHFFFAOYSA-N",18432420,NA,"PDBC51683","136017","Present",NA,NA
+"51684","Phosphonic acid, [1-(aminomethyl)-2-phenylethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonic acid, [1-(aminomethyl)-2-phenylethyl]- (9CI)",NA,"C1=CC=C(C=C1)CC(CN)P(=O)(O)O","CLNVFNPGMUAOBW-UHFFFAOYSA-N",281195,NA,"PDBC51684","133811","Present",NA,NA
+"51685","Phosphonic acid, [1-amino-(3-butylthio)propyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonic acid, [1-amino-(3-butylthio)propyl]-",NA,"CCCCSCCC(N)P(=O)(O)O","JXBFRTFYYHOVLK-UHFFFAOYSA-N",382183,NA,"PDBC51685","669642","Present",NA,NA
+"51686","Phosphonium, bromide, (E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phosphonium, triphenylpropenyl-, bromide, (e)- (8ci)",NA,"CC=C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","DEQBDPCMPVARSX-QMUAEARGSA-M",10714966,NA,"PDBC51686","289922","Present",NA,NA
+"51687","Phosphonium, dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC660328",NA,"C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-]","RIUKHCIFOGYXIO-UHFFFAOYSA-M",378317,NA,"PDBC51687","660328","Present",NA,NA
+"51688","Phosphonium,2-propadienyl-, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, triphenyl-1,2-propadienyl-, bromide (9CI)",NA,"C=C=C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Br-]","IEJSECDWUIWJNJ-UHFFFAOYSA-M",22210403,NA,"PDBC51688","110602","Present",NA,NA
+"51689","Phosphonium,8-octanediylbis[triphenyl-, diiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, 1,8-octanediylbis[triphenyl-, diiodide",NA,"C1=CC=C(C=C1)[P+](CCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[I-]","RSBGGICNCXQYEN-UHFFFAOYSA-M",382552,NA,"PDBC51689","670162","Present",NA,NA
+"51690","Phosphoric acid--7-chloro-N-{2-[2-(diethylamino)ethanesulfonyl]ethyl}quinolin-4-amine (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Chloro-N-[2-[2-(diethylamino)ethylsulfonyl]ethyl]quinolin-4-amine;phosphoric acid",NA,"CCN(CC)CCS(=O)(=O)CCNC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O","OQZITYULJYTUDF-UHFFFAOYSA-N",54603830,NA,"PDBC51690","13598","Present",NA,NA
+"51691","Phosphorin, 1-butyl-4-chloro-1,2-dihydro-3-methyl-, 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphorin, 1-butyl-4-chloro-1,2-dihydro-3-methyl-, 1-oxide",NA,"CCCCP1(=O)CC(=C(C=C1)Cl)C","HHGZNPKIYQLFMA-UHFFFAOYSA-N",368398,NA,"PDBC51691","639389","Present",NA,NA
+"51692","Phosphorus(1+),2-ethanediolato-O[5,10,15,20-tetraphenyl-21H,23H-porphinato(2-)-N(21),N(22),N(23), N(24)]-, (OC-6-12) chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphorus(1+), bis(1,2-ethanediolato-O[5,10,15,20- tetr...",NA,"C1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC5=C(C6=NC(=C(C7=CC=C2N7[P+](N45)(OCCO)OCCO)C8=CC=CC=C8)C=C6)C9=CC=CC=C9)C1=CC=CC=C1.[Cl-]","VBTKRTUZSHZLDX-UHFFFAOYSA-M",387852,NA,"PDBC51692","682066","Present",NA,NA
+"51693","Phosphorus(1+),4-dimethoxyphenyl)tris(N-ethylethanaminato)-, (T-4)-, hexafluorophosphate(1-)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphorus(1+), (2,4-dimethoxyphenyl)tris(N-ethylethanam...",NA,"CCN(CC)[P+](C1=C(C=C(C=C1)OC)OC)(N(CC)CC)N(CC)CC.F[P-](F)(F)(F)(F)F","COAZLICTGAJRDU-UHFFFAOYSA-N",54612203,NA,"PDBC51693","244697","Present",NA,NA
+"51694","Phosphotrienin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FOSTRIECIN",NA,"CC(C=CC1CC=CC(=O)O1)(C(CC(C=CC=CC=CCO)O)OP(=O)(O)O)O.[Na+]","XBUIKNRVGYFSHL-IAVQPKKASA-N",54608697,NA,"PDBC51694","339638","Present",NA,NA
+"51695","Photobarbatusin I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"photobarbatusin i",NA,"CC1CC12C(C3(C4CC(=O)C(C5C4(C3=C(C2=O)C(C5OC(=O)C)O)C)(C)C)O)OC(=O)C","KJZXTHWPZAGWHW-SZVYZWPRSA-N",321248,NA,"PDBC51695","270914","Present",NA,NA
+"51696","Phthiocol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phthiocol",NA,"CC1=C(C2=CC=CC=C2C(=O)C1=O)O","BGVCGTNXEKDVCB-UHFFFAOYSA-N",10221,NA,"PDBC51696","11897","Present",NA,NA
+"51697","Phyllanthastatin 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B680433K349",NA,"CC1COC2(CC1OC(=O)C=CC3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)OC(=O)C)O)OC7C(C(C(C(O7)C)O)OC(=O)C)O","QJTFVHQEZWKQOM-SDNWHVSQSA-N",5477587,NA,"PDBC51697","332596","Present",NA,NA
+"51698","Phyllanthin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phyllanthin",NA,"COCC(CC1=CC(=C(C=C1)OC)OC)C(CC2=CC(=C(C=C2)OC)OC)COC","KFLQGJQSLUYUBF-WOJBJXKFSA-N",358901,NA,"PDBC51698","619043","Present",NA,NA
+"51699","Phyllanthoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PHYLLANTHOSIDE",NA,"CC1COC2(CC1OC(=O)C=CC3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)O)OC(=O)C)OC7C(C(C(C(O7)C)O)OC(=O)C)O","VOTNXJVGRXZYOA-SDNWHVSQSA-N",5363794,NA,"PDBC51699","328426","Present",NA,NA
+"51700","Phyllanthoside, S3'-desacetyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phyllanthoside, s3'-desacetyl-",NA,"CC1COC2(CC1OC(=O)C=CC3=CC=CC=C3)C4(CO4)C5CCC(CC5O2)C(=O)OC6C(C(C(C(O6)C)O)OC(=O)C)OC7C(C(C(C(O7)C)O)O)O","OUFOBZYCRFWFCS-JLHYYAGUSA-N",5477653,NA,"PDBC51700","342443","Present",NA,NA
+"51701","Physalin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Physalin D",NA,"CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)O)O)OCC2C(=O)O3)C","DUGJJSWZRHBJJK-UHFFFAOYSA-N",431071,NA,"PDBC51701","288728","Present",NA,NA
+"51702","Physalin H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Physalin H",NA,"CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CC=CC(=O)C8(C7CCC6(C(=O)O4)O)C)Cl)O)OCC2C(=O)O3)C","YNEPXUIPALKHAU-NJEWDQLDSA-N",5469437,NA,"PDBC51702","688074","Present",NA,NA
+"51703","Physalin O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Physalin O",NA,"CC1C(=O)OC2CC1(C3C(=O)C4(C5C(CCC6(C3(C2(OC6=O)C)O4)O)C7(C(=CC5O)CC=CC7=O)C)O)C","QFAOFAWTSOFSQA-CXIAJCDZSA-N",6712225,NA,"PDBC51703","661114","Present",NA,NA
+"51704","Physalin R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Physalin R",NA,"CC12CC3C4(C56C1C7(C(CC5(C(=O)O4)O)C8C(C7(O6)OCC2C(=O)O3)CC=C9C8(C(=O)C=CC9)C)O)C","QIKPZCKXLAUCEB-FLMWSNRHSA-N",390566,NA,"PDBC51704","688075","Present",NA,NA
+"51705","Physalolactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Physalolactone",NA,"CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)Cl)C)O)O)O)C","XCJUXWOCLLPHII-UHFFFAOYSA-N",433866,NA,"PDBC51705","339137","Present",NA,NA
+"51706","Phytic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alkalovert",NA,"C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O","IMQLKJBTEOYOSI-UHFFFAOYSA-N",890,NA,"PDBC51706","269896","Present",NA,NA
+"51707","Phytic acid, dodecasodium salt from corn",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phytic acid, dodecasodium salt from corn",NA,"C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O.[Na+]","AXZYGIPYNXQTON-UHFFFAOYSA-N",54611529,NA,"PDBC51707","709486","Present",NA,NA
+"51708","Phytochrom chromophore",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phytochrom chromophore",NA,"CC=C1C(C(=O)NC1CC2=C(C(=C(N2)C=C3C(=C(C(=CC4=NC(=O)C(=C4C)C=C)N3)C)CC(=O)O)CCC(=O)O)C)C","USPFEYBDSGSZCS-PGUBNCGBSA-N",54608815,NA,"PDBC51708","636875","Present",NA,NA
+"51709","Phytoene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phytoene",NA,"CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C","YVLPJIGOMTXXLP-KEKOKYSKSA-N",5280784,NA,"PDBC51709","378840","Present",NA,NA
+"51710","Phytonadione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phylloquinone",NA,NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C","MBWXNTAXLNYFJB-NKFFZRIASA-N",5284607,NA,"PDBC51710",NA,"Absent",NA,NA
+"51711","Pibenzimol HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pibenzimol",NA,"CN1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)O.Cl","UDJDXLXTHZQAAC-UHFFFAOYSA-N",182069,NA,"PDBC51711","322921","Present",NA,NA
+"51712","Picfeltarraegenin II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Picfeltarraegenin II",NA,"CC1(C(CCC2C1=CCC3C2(C(=O)CC4(C3(CC(C4C5(C(=O)CC(O5)C(C)(C)O)C)O)C)C)C)O)C","YCNIKEBNKOIJKD-UHFFFAOYSA-N",343255,NA,"PDBC51712","382610","Present",NA,NA
+"51713","Picfeltarraegenin IV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Picfeltarraegenin IV",NA,"CC(C)C1=CC(=O)C(O1)(C)C2C(CC3(C2(CC(=O)C4(C3CC=C5C4CCC(C5(C)C)OC(=O)C)C)C)C)O","OAQPMBCYFIHMTG-UHFFFAOYSA-N",343253,NA,"PDBC51713","382608","Present",NA,NA
+"51714","Picfeltarraenin IA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"picfeltarraenin ia",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CC(C6C7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)O)O)O)O)O","WPXIIGGPWPYUSJ-YNOTVBMGSA-N",393059,NA,"PDBC51714","694346","Present",NA,NA
+"51715","Picfeltarraenin IB",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Picfeltarraenin IB",NA,"CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CCC4C(=CCC5C4(C(=O)CC6(C5(CC(C6C7(C(=O)C=C(O7)C(C)C)C)O)C)C)C)C3(C)C)CO)O)O)O)O)O","YRQJYHITIWJZQN-UHFFFAOYSA-N",343256,NA,"PDBC51715","382611","Present",NA,NA
+"51716","Picodazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Picodazole",NA,"COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CN3","PLBDUAFRLMLHTN-UHFFFAOYSA-N",353155,NA,"PDBC51716","600472","Present",NA,NA
+"51717","Picolinaldehyde, 2-pyridylhydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine-2-aldehyde 2-pyridylhydrazone",NA,"C1=CC=NC(=C1)C=NNC2=CC=CC=N2","KYDLWVBNCQERCD-NTEUORMPSA-N",6436327,NA,"PDBC51717","91513","Present",NA,NA
+"51718","Picolinaldehyde, 5-(dimethylamino)-, thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Picolinaldehyde, 5-(dimethylamino)-, thiosemicarbazone",NA,"CN(C)C1=CN=C(C=C1)C=NNC(=S)N","NZEDUBYVLGQVSN-LFYBBSHMSA-N",9555761,NA,"PDBC51718","144054","Present",NA,NA
+"51719","Picoplatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Picoplatin",NA,NA,NA,NA,NA,"PDBC51719","758490","Present",NA,NA
+"51720","Picramnioside B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Picramnioside B///Picramnioside C",NA,"CC(=O)OC1C(C(C(C(O1)C2C3=C(C(=CC=C3)O)C(=O)C4=C2C=C(C=C4O)CO)O)O)O","WLMRFFFLFIPZEO-UHFFFAOYSA-N",387184,NA,"PDBC51720","680719///680720","Present",NA,NA
+"51721","Picropodophyllin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PICROPODOPHYLLIN///AXL-1717",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)O","YJGVMLPVUAXIQN-HAEOHBJNSA-N",72435,NA,"PDBC51721","36407///799342","Present",NA,NA
+"51722","Picropodophyllotoxin acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Picropodophyllin, acetate",NA,"CC(=O)OC1C2COC(=O)C2C(C3=CC4=C(C=C13)OCO4)C5=CC(=C(C(=C5)OC)OC)OC","SASVNKPCTLROPQ-RGXPITOMSA-N",233299,NA,"PDBC51722","31708","Present",NA,NA
+"51723","Pifexole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"udarnol",NA,"C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=NC=C3)Cl","YXVGPSQAIBDQJD-UHFFFAOYSA-N",65758,NA,"PDBC51723","305743","Present",NA,NA
+"51724","Pigment orange 5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"light orange r",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O","HBHZKFOUIUMKHV-UHFFFAOYSA-N",18981,NA,"PDBC51724","15975","Present",NA,NA
+"51725","Pilocereine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pilocereine",NA,"CC(C)CC1C2=CC(=C(C=C2CCN1C)OC)OC3=C4C(N(CCC4=CC(=C3OC5=C6C(N(CCC6=CC(=C5O)OC)C)CC(C)C)OC)C)CC(C)C","AFQDIEHIPKSXRL-UHFFFAOYSA-N",228285,NA,"PDBC51725","21075","Present",NA,NA
+"51726","Pilosanone B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pilosanone B",NA,"CC1CC(=O)C2CC(=CCCC2C1(C)CCC(=CCO)CO)CO","LDOZOWGJNHIECR-CHHVJCJISA-N",5387652,NA,"PDBC51726","625551","Present",NA,NA
+"51727","Pimaric acid (L)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PIMARIC ACID (L)",NA,"CC(C)C1=CCC2C(=C1)CCC3C2(CCCC3(C)C(=O)O)C.CC(C)(CO)N","FYKCISRKXFIEQD-UHFFFAOYSA-N",221063,NA,"PDBC51727","4828","Present",NA,NA
+"51728","Pimeclone hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC18727",NA,"C1CCN(CC1)CC2CCCCC2=O.Cl","CPBMVAYQVPLSFX-UHFFFAOYSA-N",197860,NA,"PDBC51728","18727","Present",NA,NA
+"51729","Pimonidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pimonidazole",NA,"C1CCN(CC1)CC(CN2C=CN=C2[N+](=O)[O-])O","WVWOOAYQYLJEFD-UHFFFAOYSA-N",50981,NA,"PDBC51729","380540","Present",NA,NA
+"51730","Pinacyanol iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pinacyanol",NA,"CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-]","QWYZFXLSWMXLDM-UHFFFAOYSA-M",5463350,NA,"PDBC51730","403532","Present",NA,NA
+"51731","Pinafide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pinafide",NA,"C1CCN(C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]","GBOQUHPYCRYKGV-UHFFFAOYSA-N",327045,NA,"PDBC51731","300289","Present",NA,NA
+"51732","Pingyangmycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pingyangmycin",NA,"CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCNCCCCN)O","QYOAUOAXCQAEMW-UHFFFAOYSA-N",84046,NA,"PDBC51732","350895","Present",NA,NA
+"51733","Pinnatifidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pinnatifidin",NA,"CC1=CC(=O)CC2(C1CC3C(C2)OC(=O)C3=C)C","VTEFIBXQBGMXNK-QVHKTLOISA-N",73465,NA,"PDBC51733","85234","Present",NA,NA
+"51734","Pinnatin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pinnatin A",NA,"CC1=C2C(C(CCC3=CC(C4(CC4C(=C1)O2)C)OC3=O)C(=C)C)O","RJNSMAYIYZNIMV-ACSCVQKFSA-N",395866,NA,"PDBC51734","700891","Present",NA,NA
+"51735","Pinnatin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pinnatin B",NA,"CC1=CC(=O)C2CC2(C3C=C(CCC(C(C1=O)OC(=O)C)C(=C)C)C(=O)O3)C","NHVCNLPJSZCWRP-UIOUGSDCSA-N",5470399,NA,"PDBC51735","700892","Present",NA,NA
+"51736","Pinonic acid oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC127947",NA,"CC(=NO)C1CC(C1(C)C)CC(=O)O","INCRTJCZZQLOSX-IZZDOVSWSA-N",5458250,NA,"PDBC51736","127947","Present",NA,NA
+"51737","Pipamperone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pipamperone",NA,"C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N","AXKPFOAXAHJUAG-UHFFFAOYSA-N",4830,NA,"PDBC51737","759178","Present",NA,NA
+"51738","Piper",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HSCI1_000258",NA,"C1CCN(CC1)CCN2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C6=C7C5=CC=C8C7=C(C=C6)C(=O)N(C8=O)CCN9CCCCC9)C2=O","GEJMGGZVFDIQCA-UHFFFAOYSA-N",399190,NA,"PDBC51738","709850","Present",NA,NA
+"51739","Piperazine-1,4-dicarbothiohydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperazine-1,4-dicarbothiohydrazide",NA,"C1CN(CCN1C(=S)NN)C(=S)NN","GISXBSSCHFURCK-UHFFFAOYSA-N",3001885,NA,"PDBC51739","689543","Present",NA,NA
+"51740","Piperazine-2,5,5-tetracarbonitrile, 3,6-dipropyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperazine-2,2,5,5-tetracarbonitrile, 3,6-dipropyl-",NA,"CCCC1C(NC(C(N1)(C#N)C#N)CCC)(C#N)C#N","BSUVUTZXPNGHHL-UHFFFAOYSA-N",398330,NA,"PDBC51740","708049","Present",NA,NA
+"51741","Piperazine;4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7,12-trihydroxycholan-24-oic acid compound with piperazine (1:1)",NA,"CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C.C1CNCCN1","GQCPPZBFHGESNJ-UHFFFAOYSA-N",235441,NA,"PDBC51741","36819","Present",NA,NA
+"51742","Piperazinium,1,4-bis(2-chloroethyl)-1,4-dimethyl-, hydriodide (1:2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Bis(2-chloroethyl)-1,4-dimethylpiperazine-1,4-diium;hydroiodide",NA,"C[N+]1(CC[N+](CC1)(C)CCCl)CCCl.I","AWHWOKXFNLLGPR-UHFFFAOYSA-N",54599308,NA,"PDBC51742","402796","Present",NA,NA
+"51743","Piperic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperonic acid",NA,"C1OC2=C(O1)C=C(C=C2)C=CC=CC(=O)O","RHBGITBPARBDPH-ZPUQHVIOSA-N",5370536,NA,"PDBC51743","129538","Present",NA,NA
+"51744","Piperidin-1-id-4-ylmethanol;tetrachloroplatinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, tetrachlorobis(4-pyridinemethanol-N1)-, (OC-6-...",NA,"C1C[N-]CCC1CO.C1C[N-]CCC1CO.Cl[Pt+2](Cl)(Cl)Cl","QLTTVUWFTJBYTR-UHFFFAOYSA-J",54602090,NA,"PDBC51744","182395","Present",NA,NA
+"51745","Piperidin-1-ide-4-carboxylic acid;tetrachloroplatinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC182035",NA,"C1C[N-]CCC1C(=O)O.C1C[N-]CCC1C(=O)O.Cl[Pt+2](Cl)(Cl)Cl","KNFPMZIUFHQXMT-UHFFFAOYSA-J",54606978,NA,"PDBC51745","182035","Present",NA,NA
+"51746","Piperidin-4-one,5-bis[(2,3,4-trimethoxyphenyl) methylene]-1-methyl-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidin-4-one, 3,5-bis[(2,3,4-trimethoxyphenyl) methyl...",NA,"CN1CC(=CC2=C(C(=C(C=C2)OC)OC)OC)C(=O)C(=CC3=C(C(=C(C=C3)OC)OC)OC)C1.Cl","HAKXZTHKIAUNKI-VIWUVAGBSA-N",5468386,NA,"PDBC51746","669441","Present",NA,NA
+"51747","Piperidine, 1-[2,2-bis(phenylsulfonyl)ethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidine, 1-[2,2-bis(phenylsulfonyl)ethyl]-",NA,"C1CCN(CC1)CC(S(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","OPCDWEXESUWDBE-UHFFFAOYSA-N",361153,NA,"PDBC51747","623985","Present",NA,NA
+"51748","Piperidine, 1-[2-(9,10-dihydro-9,10-ethanoanthracen-11-yl)-1,1-dioxido-4-phenyl-3-thietanyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-phenyl-3-(1-piperidyl)-4-[?]yl-thietane 1,1-dioxide",NA,"C1CCN(CC1)C2C(S(=O)(=O)C2C3=CC=CC=C3)C4CC5C6=CC=CC=C6C4C7=CC=CC=C57","RRIBTWMCISRUHX-UHFFFAOYSA-N",421543,NA,"PDBC51748","135371","Present",NA,NA
+"51749","Piperidine, 1-[[(1,1-dimethylethyl)imino]methyl]-4-(diphenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidine, 1-[[(1,1-dimethylethyl)imino]methyl]-4-(diphenylmethyl)-",NA,"CC(C)(C)N=CN1CCC(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3","YPQCXKVDLZKFSM-UHFFFAOYSA-N",359384,NA,"PDBC51749","620193","Present",NA,NA
+"51750","Piperidine, 2-(chloromethyl)-1-(3-chloropropyl)-, hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidine, 2-(chloromethyl)-1-(3-chloropropyl)-, (+)-, ...",NA,"C1CCN(C(C1)CCl)CCCCl.Br","ZQEWWNMRYZQAHJ-UHFFFAOYSA-N",149031,NA,"PDBC51750","168674","Present",NA,NA
+"51751","Piperidine, 2-methyl-6-undecyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"METHYLUNDECYLPIPERIDINE, TRANS///METHYLUNDECYLPIPERIDINE, CIS",NA,"CCCCCCCCCCCC1CCCC(N1)C","AYJGABFBAYKWDX-UHFFFAOYSA-N",99090,NA,"PDBC51751","166588///172610","Present",NA,NA
+"51752","Piperidinium europium benzoyl trifluoroacetonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"piperidinium europium benzoyl trifluoroacetonate",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C(F)(F)F.C1=CC=NC=C1.[Eu+3]","QJHXRDPEDNNDLD-UHFFFAOYSA-N",11979537,NA,"PDBC51752","253995","Present",NA,NA
+"51753","Piperidinium pentamethylenedithiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pmp (van)",NA,"C1CCNCC1.C1CCN(CC1)C(=S)S","PVFZKRMYBKEXBN-UHFFFAOYSA-N",72508,NA,"PDBC51753","1906","Present",NA,NA
+"51754","Piperidinium, (E,E)-, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidin-4-ol, N-ethyl-N-methyl-3-(1-oxo-3-phenyl-2-pro...",NA,"CC[N+]1(CCC(C(C1)C(=O)C=CC2=CC=CC=C2)(C=CC3=CC=CC=C3)O)C.[Br-]","USLKKRPHCVKRBA-OHAASFOQSA-M",5386939,NA,"PDBC51754","618770","Present",NA,NA
+"51755","Piperidinium,1-didodecyl-3-methyl-, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidinium, 1,1-didodecyl-3-methyl-, bromide",NA,"CCCCCCCCCCCC[N+]1(CCCC(C1)C)CCCCCCCCCCCC.[Br-]","LQEPGIXKXOCKDY-UHFFFAOYSA-M",21144608,NA,"PDBC51755","194124","Present",NA,NA
+"51756","Piperidinium,5-bis[4-[(dimethylamino)phenyl]methylene]-1,1-dimethyl-4-oxo-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidinium, 3,5-bis[4-[(dimethylamino)phenyl]methylene...",NA,"CN(C)C1=CC=C(C=C1)C=C2C[N+](CC(=CC3=CC=C(C=C3)N(C)C)C2=O)(C)C.[I-]","JVOYGKMQZMEFBW-HYOXNGFTSA-M",5386914,NA,"PDBC51756","618757","Present",NA,NA
+"51757","Piperitenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperitenone",NA,"CC1=CC(=O)C(=C(C)C)CC1","HKZQJZIFODOLFR-UHFFFAOYSA-N",381152,NA,"PDBC51757","667470","Present",NA,NA
+"51758","Piperonal, dibenzylmercaptal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-117350",NA,"C1OC2=C(O1)C=C(C=C2)C(SCC3=CC=CC=C3)SCC4=CC=CC=C4","KWUQLYZNZIXVAZ-UHFFFAOYSA-N",199668,NA,"PDBC51758","659160","Present",NA,NA
+"51759","Piprozoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"probilin",NA,"CCN1C(=CC(=O)OCC)SC(C1=O)N2CCCCC2","UAXYBJSAPFTPNB-ZHACJKMWSA-N",9904352,NA,"PDBC51759","300622","Present",NA,NA
+"51760","Pirbuterol HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pirbuterol hydrochloride",NA,"CC(C)(C)NCC(C1=NC(=C(C=C1)O)CO)O.Cl","GPDAJAWUGSTOSA-UHFFFAOYSA-N",3061720,NA,"PDBC51760","355078","Present",NA,NA
+"51761","Piritrexim isethionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"piritrexim isethionate",NA,"CC1=C2C(=NC(=NC2=NC=C1CC3=C(C=CC(=C3)OC)OC)N)N.C(CS(=O)(=O)O)O","IOEMETRLOWNXGW-UHFFFAOYSA-N",54368,NA,"PDBC51761","351521","Present",NA,NA
+"51762","Pitavastatin Calcium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pitavastatin Ca","PITAVASTATIN CALCIUM///Pitavastatin calcium",NA,"C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.C1CC1C2=NC3=CC=CC=C3C(=C2C=CC(CC(CC(=O)[O-])O)O)C4=CC=C(C=C4)F.[Ca+2]","RHGYHLPFVJEAOC-FFNUKLMVSA-L",5282451,NA,"PDBC51762","760423///779706","Present",NA,NA
+"51763","Pivalic acid [2-(hydroxymethyl)-4-[(E)-3-isopropyl-4-methylpentylidene]-5-oxotetrahydrofuran-2-yl]methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate",NA,"CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C(C)(C)C)C(C)C","SDADZOKIHXSRSR-OVCLIPMQSA-N",5470634,NA,"PDBC51763","703762","Present",NA,NA
+"51764","Pivalic acid [2-(hydroxymethyl)-4-[(Z)-3-isopropyl-4-methylpentylidene]-5-oxotetrahydrofuran-2-yl]methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl 2,2-dimethylpropanoate",NA,"CC(C)C(CC=C1CC(OC1=O)(CO)COC(=O)C(C)(C)C)C(C)C","SDADZOKIHXSRSR-NVNXTCNLSA-N",5470633,NA,"PDBC51764","703761","Present",NA,NA
+"51765","Plakinidine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plakinidine A",NA,"CN=C1C2=C(C3=C4C1=NC=C4C5=CC=CC=C5N3)NCCC2=O","AMDBWMKCBSPPND-UHFFFAOYSA-N",135409164,NA,"PDBC51765","662422","Present",NA,NA
+"51766","Plantaricin BN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plantaricin BN",NA,"C1CCCCC(C(=O)C(=O)C(CCC1)(CCC(=O)O)CCC(=O)O)(CCC(=O)O)CCC(=O)O","ZPAOCLAKRURAOZ-UHFFFAOYSA-N",380907,NA,"PDBC51766","666690","Present",NA,NA
+"51767","Platin-B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platin-B",NA,NA,NA,NA,NA,"PDBC51767","787850","Present",NA,NA
+"51768","Platin-Cbl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platin-Cbl",NA,NA,NA,NA,NA,"PDBC51768","788781","Present",NA,NA
+"51769","Platin-L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platin-L",NA,NA,NA,NA,NA,"PDBC51769","801199","Present",NA,NA
+"51770","Platin-M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platin-M",NA,NA,NA,NA,NA,"PDBC51770","787851","Present",NA,NA
+"51771","Platinate(2-), hexachloro-, (OC-6-11)-, dihydrogen, comp...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinate(2-), hexachloro-, (OC-6-11)-, dihydrogen, comp...",NA,NA,NA,NA,NA,"PDBC51771","295558","Present",NA,NA
+"51772","Platinate(2-),2-cyclohexanediamine-N,N')[2-hydroxy-5-[[(8-hydroxy-3,6-disulfo)-1-naphthalenyl]aminosulfonyl] benzoato-O(1),O(2)]-, dihydrogen, (SP-4-3)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinate(2-), (1,2-cyclohexanediamine-N,N')[2-hydroxy- ...",NA,"C1CCC(C(C1)N)N.C1=CC(=C(C=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])C(=O)[O-])[O-].[Pt+4]","YZTPUZNGNIJCSJ-UHFFFAOYSA-J",24201982,NA,"PDBC51772","614886","Present",NA,NA
+"51773","Platinum(2+), dichlorobis[2-(dichloroamino)-2-methyl- 1,...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum(2+), dichlorobis[2-(dichloroamino)-2-methyl- 1,...",NA,NA,NA,NA,NA,"PDBC51773","633053","Present",NA,NA
+"51774","Platinum(3+),2-cyclohexanediamine-N,N')trimu-hydroxytri-, cyclo, trinitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum(3+), tris(1,2-cyclohexanediamine-N,N')tri.mu.-h...",NA,"C1CCC(C(C1)[NH-])[NH-].C1CCC(C(C1)[NH-])[NH-].C1CCC(C(C1)[NH-])[NH-].[N+](=O)(O)[O-].[OH-].[OH-].[OH-].[Pt+4].[Pt+4].[Pt+4]","CSMYPURHXYARQT-UHFFFAOYSA-K",54612219,NA,"PDBC51774","319972","Present",NA,NA
+"51775","Platinum(II),2-diammine)di(methanesulfonato)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di(methanesulfonato)(1,2-diaminocyclohexane)platinum(II)",NA,"CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1CCC(C(C1)N)N.[Pt+4]","MKRLPDJONNNJOK-UHFFFAOYSA-L",24197373,NA,"PDBC51775","263158","Present",NA,NA
+"51776","Platinum, N,N''-(1,9-nonanediyl)bis[diaminodichloro-, (S...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, N,N''-(1,9-nonanediyl)bis[diaminodichloro-, (S...",NA,NA,NA,NA,NA,"PDBC51776","641465","Present",NA,NA
+"51777","Platinum, bis(1-aziridinyl)dichloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, bis(aziridine)dichloro-",NA,"C1C[N-]1.C1C[N-]1.Cl[Pt+2]Cl","DXSSDUSCEPVURD-UHFFFAOYSA-L",425134,NA,"PDBC51777","170896","Present",NA,NA
+"51778","Platinum, bis(2-amino-1,9-dihydro-6H-purine-6-thionato-N...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, bis(2-amino-1,9-dihydro-6H-purine-6-thionato-N...",NA,NA,NA,NA,NA,"PDBC51778","276299","Present",NA,NA
+"51779","Platinum, dichloro(quinoline-N)[sulfinylbis(methane)-S]-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, dichloro(quinoline-N)[sulfinylbis(methane)-S]-...",NA,NA,NA,NA,NA,"PDBC51779","632790","Present",NA,NA
+"51780","Platinum, dichloro[(methylsulfinyl)phenyl-S](quinoline-N...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, dichloro[(methylsulfinyl)phenyl-S](quinoline-N...",NA,NA,NA,NA,NA,"PDBC51780","632791","Present",NA,NA
+"51781","Platinum, dichloro[(phenylmethyl)methylsulfinyl]- 1-quin...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, dichloro[(phenylmethyl)methylsulfinyl]- 1-quin...",NA,NA,NA,NA,NA,"PDBC51781","641052","Present",NA,NA
+"51782","Platinum, dichloro[dimethylsilylenebis(methanamine)]-, (...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, dichloro[dimethylsilylenebis(methanamine)]-, (...",NA,NA,NA,NA,NA,"PDBC51782","603577","Present",NA,NA
+"51783","Platinum, tetrachloro[dimethylsilylenebis(methanamine)]-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, tetrachloro[dimethylsilylenebis(methanamine)]-...",NA,NA,NA,NA,NA,"PDBC51783","603578","Present",NA,NA
+"51784","Platinum,2-cyclohexanediamine-N,N')(propanedioato(2-)-O,O')-, (SP-4-2-(1R-trans))-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, (1,2-cyclohexanediamine-N,N')(propanedioato(2-)-O,O')-, (SP-4-2-(1R-trans))- (9CI)",NA,"C1CCC(C(C1)[NH-])[NH-].C(C(=O)[O-])C(=O)[O-].[Pt+4]","VRJXRHFBWYDIOS-BNTLRKBRSA-L",54607378,NA,"PDBC51784","266047","Present",NA,NA
+"51785","Platinum,2-cyclohexanediamine-N,N')(tetraoxoselenato(2-)-O)-, (SP-4-3)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, aqua(1,2-cyclohexanediamine-N,N')(tetraoxosele...",NA,"C1CCC(C(C1)[NH-])[NH-].O.O[Se](=O)(=O)O.[Pt+2]","DMXMBTAHRTWRPM-UHFFFAOYSA-N",430708,NA,"PDBC51785","281279","Present",NA,NA
+"51786","Platinum,2-cyclohexanediamine-N,N')-, (OC-6-22)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC363811///TETRAPLATIN///NSC363813",NA,"C1CCC(C(C1)[NH-])[NH-].Cl[Pt+2](Cl)(Cl)Cl","KVFQUEDZECDHKS-UHFFFAOYSA-J",430475,NA,"PDBC51786","363811///363812///363813","Present",NA,NA
+"51787","Platinum,2-cyclohexanediamine-N,N')bis (4-morpholinepropanesulfonato-O)-, (SP-4-2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, (1,2-cyclohexanediamine-N,N')bis (4-morpholine...",NA,"C1CCC(C(C1)N)N.C1COCCN1CCCS(=O)(=O)[O-].C1COCCN1CCCS(=O)(=O)[O-].[Pt+4]","UVFZWEZFJMQERF-UHFFFAOYSA-L",24201983,NA,"PDBC51787","614887","Present",NA,NA
+"51788","Platinum,2-cyclohexanediamine-N,N')bis[3-[(1-oxo-2-propenyl)oxy]-1-propanesulfonato-O]-, (SP-4-2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, (1,2-cyclohexanediamine-N,N')bis[3-[(1-oxo- 2-...",NA,"C=CC(=O)OCCCS(=O)(=O)[O-].C=CC(=O)OCCCS(=O)(=O)[O-].C1CCC(C(C1)N)N.[Pt+4]","NCEASBMSEPHBIF-UHFFFAOYSA-L",24201986,NA,"PDBC51788","614890","Present",NA,NA
+"51789","Platinum,N''-(1,6-hexanediyl)bis[diamino[2-ethyl-1,3-propanedioato(2-)-O,O']-, (SP-4-3,SP-4-3)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Platinum, N,N''-(1,6-hexanediyl)bis[diamino[2-ethyl- 1,3...",NA,"CCC(C(=O)[O-])C(=O)[O-].CCC(C(=O)[O-])C(=O)[O-].C(CCCN)CCN.N.N.[Pt+4].[Pt+4]","RWONMZAIYWZPDY-UHFFFAOYSA-J",24202351,NA,"PDBC51789","641458","Present",NA,NA
+"51790","Platyphylloside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784874",NA,"C1=CC(=CC=C1CCC(CC(=O)CCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O)O","PVPDIJGSCANSAG-JSFAVJLPSA-N",9826264,NA,"PDBC51790","784874","Present",NA,NA
+"51791","Plerixafor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC754363///NSC761388",NA,"C1CNCCNCCCN(CCNC1)CC2=CC=C(C=C2)CN3CCCNCCNCCCNCC3","YIQPUIGJQJDJOS-UHFFFAOYSA-N",65015,NA,"PDBC51791","754363///761388","Present",NA,NA
+"51792","Plevitrexed",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Tetrazole-5-butanoic acid, alpha.-[[4-[[(1,4-dihydro-...",NA,"CC1=CC2=C(C=C1CN(CC#C)C3=CC(=C(C=C3)C(=O)NC(CCC4=NNN=N4)C(=O)O)F)C(=O)NC(=N2)C","IEJSCSAMMLUINT-NRFANRHFSA-N",135430970,NA,"PDBC51792","696259","Present",NA,NA
+"51793","Plicatic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plicatic acid",NA,"COC1=CC(=CC(=C1O)O)C2C3=CC(=C(C=C3C(C(C2(C(=O)O)O)CO)O)OC)O","AEAWUUSSBHHSNE-UHFFFAOYSA-N",251620,NA,"PDBC51793","72234","Present",NA,NA
+"51794","Plocamene B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plocamene B",NA,"CC1=C(CC(C(C1)(C)Cl)Cl)C=CCl","LAOVFJOKZZYETK-ONEGZZNKSA-N",5458653,NA,"PDBC51794","305224","Present",NA,NA
+"51795","Plumbagin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"plumbagin",NA,"CC1=CC(=O)C2=C(C1=O)C=CC=C2O","VCMMXZQDRFWYSE-UHFFFAOYSA-N",10205,NA,"PDBC51795","236613","Present",NA,NA
+"51796","Plumbane, diphenylbis[[(phenylthio)acetyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plumbane, diphenylbis[[(phenylthio)acetyl]oxy]-",NA,NA,NA,NA,NA,"PDBC51796","628687","Present",NA,NA
+"51797","Plumbane, triethyl[(2-quinolinylcarbonyl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plumbane, triethyl[(2-quinolinylcarbonyl)oxy]-",NA,"CC[Pb](CC)(CC)OC(=O)C1=NC2=CC=CC=C2C=C1","AVVGBZHDYPDOIY-UHFFFAOYSA-M",16683346,NA,"PDBC51797","168604","Present",NA,NA
+"51798","Plumbane, triethyl[(methoxyacetyl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plumbane, triethyl[(methoxyacetyl)oxy]-",NA,"CC[Pb](CC)(CC)OC(=O)COC","NCLBMGQBIQQJFY-UHFFFAOYSA-M",16683378,NA,"PDBC51798","173039","Present",NA,NA
+"51799","Plumbane, triethyl[(phenoxyacetyl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plumbane, triethyl[(phenoxyacetyl)oxy]-",NA,"CC[Pb](CC)(CC)OC(=O)COC1=CC=CC=C1","ARHFPUHNSUAWQK-UHFFFAOYSA-M",16683373,NA,"PDBC51799","173030","Present",NA,NA
+"51800","Plumbane, tripropyl[(trifluoroacetyl)oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plumbane, tripropyl[(trifluoroacetyl)oxy]-",NA,"CCC[Pb](CCC)(CCC)OC(=O)C(F)(F)F","YUJDDCSEPYWVPK-UHFFFAOYSA-M",16683380,NA,"PDBC51800","173043","Present",NA,NA
+"51801","Plumericin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Plumericin",NA,"CC=C1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O","VFXXNAVZODKBIW-JKXVGBJFSA-N",5281545,NA,"PDBC51801","112152","Present",NA,NA
+"51802","Pluramycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pluramycin A",NA,"CC=CC1C(O1)(C)C2=CC(=O)C3=C(O2)C4=C(C=C3C)C(=O)C5=C(C4=O)C(=C(C=C5C6CC(C(C(O6)C)O)N(C)C)C7CC(C(C(O7)C)OC(=O)C)(C)N(C)C)O","BQCHGWYGWQEMTJ-SEYXRHQNSA-N",54611921,NA,"PDBC51802","21205","Present",NA,NA
+"51803","Plx8394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797932///NSC801007",NA,"C1CC1C2=NC=C(C=N2)C3=CC4=C(NC=C4C(=O)C5=C(C=CC(=C5F)NS(=O)(=O)N6CCC(C6)F)F)N=C3","YYACLQUDUDXAPA-MRXNPFEDSA-N",90116675,NA,"PDBC51803","797932///801007","Present",NA,NA
+"51804","Podophyllin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Podophyllin",NA,NA,NA,NA,NA,"PDBC51804","36390","Present",NA,NA
+"51805","Podophyllol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Naphtho[2,3-d]-1,3-dioxole-6,7-dimethanol, 5,6,7,8-tetra...",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(C(C3=CC4=C(C=C23)OCO4)O)CO)CO","HNOIIHCYJKCZRK-UHFFFAOYSA-N",235235,NA,"PDBC51805","36373","Present",NA,NA
+"51806","Podophyllotoxin isothiuronium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Podophyllotoxin isothiuronium bromide",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)SC(=N)N.Br","XMOVEDYTRVNUIA-REMOXFKFSA-N",54602203,NA,"PDBC51806","35479","Present",NA,NA
+"51807","Podophyllotoxin o-benzylidene-beta-D-glucopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sp g",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC6C(C(C7C(O6)COC(O7)C8=CC=CC=C8)O)O","SBPPWJIDARICBS-QKFAOQDPSA-N",237979,NA,"PDBC51807","42076","Present",NA,NA
+"51808","Polacandrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Polacandrin",NA,"CC1(C2CCC3(C(C2(C(CC1O)O)C)CC(C4C3(CCC4C5(CCC(O5)C(C)(C)O)C)C)O)C)C","ZDMWPLUKUXQVLI-BIFUZHIISA-N",6711995,NA,"PDBC51808","650885","Present",NA,NA
+"51809","Poly[1H-indole-3,1-diyl(diethylstannylene)oxy(1-oxo-1,2-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Poly[1H-indole-3,1-diyl(diethylstannylene)oxy(1-oxo-1,2-...",NA,NA,NA,NA,NA,"PDBC51809","356232","Present",NA,NA
+"51810","Polycarpine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Disulfide, bis[2-amino-4-(4-methoxyphenyl)-1-methyl- 1H-...",NA,"CN1C(=C(N=C1N)C2=CC=C(C=C2)OC)SSC3=C(N=C(N3C)N)C4=CC=C(C=C4)OC.Cl","RCGKFYXICZRWQU-UHFFFAOYSA-N",367621,NA,"PDBC51810","637467","Present",NA,NA
+"51811","Polycarpol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Polycarpol",NA,"CC(CCC=C(C)C)C1CC(C2(C1(CC=C3C2=CCC4C3(CCC(C4(C)C)O)C)C)C)O","CCFQLQIYEHITNK-DDZDZEIKSA-N",367561,NA,"PDBC51811","637387","Present",NA,NA
+"51812","Polyethylene Glycol L-Asparaginase",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Polyethylene Glycol L-Asparaginase",NA,NA,NA,NA,NA,"PDBC51812","624239","Present",NA,NA
+"51813","Polygodial",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tadeodal",NA,"CC1(CCCC2(C1CC=C(C2C=O)C=O)C)C","AZJUJOFIHHNCSV-KCQAQPDRSA-N",72503,NA,"PDBC51813","372407","Present",NA,NA
+"51814","Polymer containing stable free verdazyl radicals- polyel...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Polymer containing stable free verdazyl radicals- polyel...",NA,NA,NA,NA,NA,"PDBC51814","636597","Present",NA,NA
+"51815","Polyoxomolybdate phosphate complex, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Polyoxomolybdate phosphate complex, disodium salt",NA,NA,NA,NA,NA,"PDBC51815","622116","Present",NA,NA
+"51816","Polyozellin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Polyozellin",NA,"CC(=O)OC1=C2C(=C(C3=C1C4=CC(=C(C=C4O3)O)O)OC(=O)C)C5=CC(=C(C=C5O2)O)O","CCNILPFRYYKQOP-UHFFFAOYSA-N",382514,NA,"PDBC51816","670123","Present",NA,NA
+"51817","Polyphyllin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DIOSGENIN TETRAGLYCOSIDE",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)OC9C(C(C(C(O9)C)O)O)O)O)O)O)OC2C(C(C(C(O2)C)O)O)O)C)C)C)OC1","OZIHYFWYFUSXIS-UHFFFAOYSA-N",328441,NA,"PDBC51817","306864","Present",NA,NA
+"51818","Polypodine A, mixt. with Polypodine B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Polypodine A, mixt. with Polypodine B",NA,"CC12CCC3C(=CC(=O)C4C3(CC(C(C4)O)O)C)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O.CC12CCC3C(=CC(=O)C4(C3(CC(C(C4)O)O)C)O)C1(CCC2C(C)(C(CCC(C)(C)O)O)O)O","CELUVIMMLFWQDP-UHFFFAOYSA-N",271603,NA,"PDBC51818","115493","Present",NA,NA
+"51819","Pomiferin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"POMIFERIN",NA,"CC(=CCC1=C2C(=C3C(=C1O)C(=O)C(=CO3)C4=CC(=C(C=C4)O)O)C=CC(O2)(C)C)C","GHCZYXUOYFOXIP-UHFFFAOYSA-N",4871,NA,"PDBC51819","5113","Present",NA,NA
+"51820","Pomolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pomolic acid",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1(C)O)C)C(=O)O","ZZTYPLSBNNGEIS-OPAXANQDSA-N",382831,NA,"PDBC51820","670661","Present",NA,NA
+"51821","Ponceau 2R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"red r",NA,"CC1=CC(=C(C=C1)N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)C.[Na+]","CIIPCMLSSIQDNT-UHFFFAOYSA-N",135436538,NA,"PDBC51821","10458","Present",NA,NA
+"51822","Ponceau BS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"red hm",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)S(=O)(=O)O)O","BYABGQJPCPYPSZ-UHFFFAOYSA-N",20171,NA,"PDBC51822","79710","Present",NA,NA
+"51823","Ponticin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ponticin",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O","GKAJCVFOJGXVIA-NSCUHMNNSA-N",5351164,NA,"PDBC51823","43321","Present",NA,NA
+"51824","Popop",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"popop",NA,"C1=CC=C(C=C1)C2=CN=C(O2)C3=CC=C(C=C3)C4=NC=C(O4)C5=CC=CC=C5","MASVCBBIUQRUKL-UHFFFAOYSA-N",15732,NA,"PDBC51824","24859","Present",NA,NA
+"51825","Porfiromycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PORFIROMYCIN",NA,"CC1=C(C(=O)C2=C(C1=O)N3CC4C(C3(C2COC(=O)N)OC)N4C)N","HRHKSTOGXBBQCB-UHFFFAOYSA-N",244989,NA,"PDBC51825","56410","Present",NA,NA
+"51826","Poricoic acid A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"poricoic acid a",NA,"CC(C)C(=C)CCC(C1C(CC2(C1(CC=C3C2=CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O","KVAQLXUMUVEKGR-SMFZDKLCSA-N",5471851,NA,"PDBC51826","715080","Present",NA,NA
+"51827","Poricoic acid G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"16.alpha.-Hydroxy-3,4-secolanosta-4(28),8,24-triene-3,21...",NA,"CC(=CCCC(C1C(CC2(C1(CCC3=C2CCC(C3(C)CCC(=O)O)C(=C)C)C)C)O)C(=O)O)C","VPTZOSBKEDUOFE-KXGBKNTBSA-N",5471966,NA,"PDBC51827","715639","Present",NA,NA
+"51828","Portamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"free acid",NA,"CC1C2C=CC3(CO3)C(O2)(OC1C(C)C=C(C)C=CC(=C4C(=O)C(N(C4=O)C5CCC(C(O5)C)O)C(C)C(=O)NC)O)C","KVTPRMVXYZKLIG-UGUDKILOSA-N",54690173,NA,"PDBC51828","3360","Present",NA,NA
+"51829","Portulal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Portulal",NA,"CC1CC2(CC(=CCCC2C1(CCC(=CCO)CO)CO)C)C=O","XNVGNPVDYXWYIA-IDUWFGFVSA-N",5387650,NA,"PDBC51829","625549","Present",NA,NA
+"51830","Potassium acid saccharate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"potassium bisaccharate",NA,"C(C(C(C(=O)O)O)O)(C(C(=O)O)O)O.[K+]","UBYZGUWQNIEQMH-UHFFFAOYSA-N",54606561,NA,"PDBC51830","130975","Present",NA,NA
+"51831","Potassium nonafluorobutane-1-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-B0900",NA,"C(C(C(F)(F)S(=O)(=O)O)(F)F)(C(F)(F)F)(F)F.[K+]","LVTHXRLARFLXNR-UHFFFAOYSA-N",21951232,NA,"PDBC51831","620572","Present",NA,NA
+"51832","Potassium;1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;1,4-dihydro-1,2,4,5-tetrazine-3,6-dicarboxylic acid",NA,"C1(=NNC(=NN1)C(=O)O)C(=O)O.[K+]","YJCLTUCYSLCPCX-UHFFFAOYSA-N",54604520,NA,"PDBC51832","306834","Present",NA,NA
+"51833","Potassium;1,4-dihydropyrazino[2,3-b]quinoxaline-2,3-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667846",NA,"C1=CC=C2C(=C1)N=C3C(=N2)NC(=O)C(=O)N3.[K+]","NHFNVINVKPCLCA-UHFFFAOYSA-N",54604797,NA,"PDBC51833","667846","Present",NA,NA
+"51834","Potassium;1-(2-dithiocarboxyoxyphenyl)-N-(2-methoxyphenyl)methanimine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;1-(2-dithiocarboxyoxyphenyl)-N-(2-methoxyphenyl)methanimine oxide",NA,"COC1=CC=CC=C1[N+](=CC2=CC=CC=C2OC(=S)S)[O-].[K+]","JQAAFPKZUQLPMH-HYMQDMCPSA-N",54611814,NA,"PDBC51834","715116","Present",NA,NA
+"51835","Potassium;1-(2-dithiocarboxyoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;1-(2-dithiocarboxyoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide",NA,"COC1=CC=C(C=C1)[N+](=CC2=CC=CC=C2OC(=S)S)[O-].[K+]","AOUCEPJPAVAHCS-HYMQDMCPSA-N",54611815,NA,"PDBC51835","715117","Present",NA,NA
+"51836","Potassium;1-(4-dithiocarboxyoxy-3-methoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;1-(4-dithiocarboxyoxy-3-methoxyphenyl)-N-(4-methoxyphenyl)methanimine oxide",NA,"COC1=CC=C(C=C1)[N+](=CC2=CC(=C(C=C2)OC(=S)S)OC)[O-].[K+]","YNVJACCIVSGEQC-HVHKRRFMSA-N",54611677,NA,"PDBC51836","717875","Present",NA,NA
+"51837","Potassium;2-(2-carboxy-3-phenylpropyl)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676994",NA,"C1=CC=C(C=C1)CC(CC2=CC=CC=C2C(=O)O)C(=O)O.[K+]","IZDJMSQNLUACLS-UHFFFAOYSA-N",54608732,NA,"PDBC51837","676994","Present",NA,NA
+"51838","Potassium;2-amino-1,7-dihydropurin-6-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;2-amino-1,7-dihydropurin-6-one",NA,"C1=NC2=C(N1)C(=O)NC(=N2)N.[K+]","FPCNMZZENGDNEQ-UHFFFAOYSA-N",135510132,NA,"PDBC51838","637537","Present",NA,NA
+"51839","Potassium;3-hydroxy-4-sulfonaphthalene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC40596",NA,"C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)O)O)C(=O)O.[K+]","UXBAXCJXTBXSCG-UHFFFAOYSA-N",54599618,NA,"PDBC51839","40596","Present",NA,NA
+"51840","Potassium;3-methoxy-4-sulfooxybenzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670827",NA,"COC1=C(C=CC(=C1)C(=O)O)OS(=O)(=O)O.[K+]","RRIOEJNORGVCMH-UHFFFAOYSA-N",54611285,NA,"PDBC51840","670827","Present",NA,NA
+"51841","Potassium;4-[(E)-[(5E)-5-[(4-carboxyphenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;4-[(E)-[(5E)-5-[(4-carboxyphenyl)methylidene]-1-methyl-4-oxopiperidin-3-ylidene]methyl]benzoic acid",NA,"CN1CC(=CC2=CC=C(C=C2)C(=O)O)C(=O)C(=CC3=CC=C(C=C3)C(=O)O)C1.[K+]","BJVCNOHZGFLACE-XGMIBILOSA-N",54602248,NA,"PDBC51841","621886","Present",NA,NA
+"51842","Potassium;4-[(E)-[(5E)-5-[(4-carboxyphenyl)methylidene]-4-oxopiperidin-3-ylidene]methyl]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;4-[(E)-[(5E)-5-[(4-carboxyphenyl)methylidene]-4-oxopiperidin-3-ylidene]methyl]benzoic acid",NA,"C1C(=CC2=CC=C(C=C2)C(=O)O)C(=O)C(=CC3=CC=C(C=C3)C(=O)O)CN1.[K+]","WMBQHOOCDBPSRY-MQMNHWTGSA-N",54608039,NA,"PDBC51842","618769","Present",NA,NA
+"51843","Potassium;N-(2-chlorophenyl)-1-(4-dithiocarboxyoxy-3-methoxyphenyl)methanimine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;N-(2-chlorophenyl)-1-(4-dithiocarboxyoxy-3-methoxyphenyl)methanimine oxide",NA,"COC1=C(C=CC(=C1)C=[N+](C2=CC=CC=C2Cl)[O-])OC(=S)S.[K+]","RAJBFVHNPHHZMX-WPTDRQDKSA-N",54611676,NA,"PDBC51843","717874","Present",NA,NA
+"51844","Potassium;N-(4-chlorophenyl)-1-(2-dithiocarboxyoxyphenyl)methanimine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;N-(4-chlorophenyl)-1-(2-dithiocarboxyoxyphenyl)methanimine oxide",NA,"C1=CC=C(C(=C1)C=[N+](C2=CC=C(C=C2)Cl)[O-])OC(=S)S.[K+]","CAJJGJRKEFTIMZ-LFMIJCLESA-N",54611817,NA,"PDBC51844","715119","Present",NA,NA
+"51845","Potassium;N-(4-tert-butylpyridin-2-yl)-3-(4-tert-butylpyridin-2-yl)iminoisoindol-1-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;N-(4-tert-butylpyridin-2-yl)-3-(4-tert-butylpyridin-2-yl)iminoisoindol-1-amine",NA,"CC(C)(C)C1=CC(=NC=C1)NC2=NC(=NC3=NC=CC(=C3)C(C)(C)C)C4=CC=CC=C42.[K+]","XFELPGZFYKFLQF-UHFFFAOYSA-N",54608038,NA,"PDBC51845","618623","Present",NA,NA
+"51846","Potassium;arsenous acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium arsenite",NA,"O[As]=O.[K+]","HEQWEGCSZXMIJQ-UHFFFAOYSA-N",54611691,NA,"PDBC51846","3060","Present",NA,NA
+"51847","Potassium;cobalt(3+);ethane-1,2-diamine;dicarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassiumdicarbonatoethylenediaminecobalte(III)///Potassiumethylenediaminedicarbonatocobaltate(III)",NA,"C(CN)N.C(=O)([O-])[O-].C(=O)([O-])[O-].[K+].[Co+3]","VIPCMKCXIYKPGK-UHFFFAOYSA-J",24202180,NA,"PDBC51847","631465///631466","Present",NA,NA
+"51848","Potassium;cobalt(3+);ethane-1,2-diamine;oxalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassiumethylenediaminedioxalatocobaltate(III)",NA,"C(CN)N.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[K+].[Co+3]","RSWSPHODDDPTMA-UHFFFAOYSA-J",24202172,NA,"PDBC51848","631453","Present",NA,NA
+"51849","Potassium;cobalt(3+);ethane-1,2-diamine;tetranitrite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassiumethylenediaminetetranitritocobaltate(III)",NA,"C(CN)N.N(=O)[O-].N(=O)[O-].N(=O)[O-].N(=O)[O-].[K+].[Co+3]","SWGMQBKZVPPDDM-UHFFFAOYSA-J",24202178,NA,"PDBC51849","631462","Present",NA,NA
+"51850","Potassium;oxirane-2,3-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC43234",NA,"C1(C(O1)C(=O)O)C(=O)O.[K+]","QIEFBNVGUPXLFW-UHFFFAOYSA-N",54602446,NA,"PDBC51850","43234","Present",NA,NA
+"51851","Potassium;tridecylboronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassium;tridecylboronic acid",NA,"B(CCCCCCCCCCCCC)(O)O.[K+]","BYYFQJBVRGPAPV-UHFFFAOYSA-N",54608575,NA,"PDBC51851","639423","Present",NA,NA
+"51852","Potassiumdimalonatopalladate(VI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Potassiumdimalonatopalladate(VI)",NA,"C(C(=O)[O-])C(=O)[O-].C(C(=O)[O-])C(=O)[O-].[K+].[Pd+2]","IITYLNCTIYMHBW-UHFFFAOYSA-J",364986,NA,"PDBC51852","631889","Present",NA,NA
+"51853","Pralsetinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BLU-667",NA,"CC1=CC(=NN1)NC2=NC(=NC(=C2)C)C3CCC(CC3)(C(=O)NC(C)C4=CN=C(C=C4)N5C=C(C=N5)F)OC","GBLBJPZSROAGMF-SIYOEGHHSA-N",129073603,NA,"PDBC51853","811429","Present",NA,NA
+"51854","Pramipexole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pramipexole",NA,NA,"CCCNC1CCC2=C(C1)SC(=N2)N","FASDKYOPVNHBLU-ZETCQYMHSA-N",119570,NA,"PDBC51854",NA,"Absent",NA,NA
+"51855","Pravachol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"O263",NA,"CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)[O-])O)O)O","TUZYXOIXSAXUGO-PZAWKZKUSA-M",24849132,NA,"PDBC51855","779707","Present",NA,NA
+"51856","Predorine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Predorine",NA,"CC12CC(=O)C3C(C1CCC2(C(=O)COC(=O)CSC4=C5C=CC(=CC5=NC6=C4C=CC(=C6)N(C)C)N(C)C)O)CCC7=CC(=O)C=CC37C","JYRZNFYQWHJSJA-XFETZTPGSA-N",333830,NA,"PDBC51856","337851","Present",NA,NA
+"51857","Prepyridomacrolidine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prepyridomacrolidine A",NA,"CCC(C)C=C(C)C=CC(=O)C1=C(C(=CN(C1=O)OC2CC(=O)CCC(OC(=O)CC2O)C)C3=CC=C(C=C3)O)O","IUAXYRZOSAKXHF-YGVVMLNDSA-N",60148209,NA,"PDBC51857","753975","Present",NA,NA
+"51858","Presenegenin, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Presenegenin, dimethyl ester",NA,"CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)C(=O)OC)O)O)C)C)C2C1)CO)C(=O)OC)C","DZBMROWWXVEOHY-UHFFFAOYSA-N",276547,NA,"PDBC51858","124669","Present",NA,NA
+"51859","Presqualene alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Presqualene alcohol",NA,"CC(=CCCC(=CCCC(=CC1C(C1(C)CCC=C(C)CCC=C(C)C)CO)C)C)C","XLTBFLSFXLLDAZ-VVFNRDJMSA-N",5471965,NA,"PDBC51859","715638","Present",NA,NA
+"51860","Pretazettine, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pretazettine hydrochloride",NA,"CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(O2)O)OCO5.Cl","YHHPTRFYYPGNIO-UHFFFAOYSA-N",53461793,NA,"PDBC51860","109808","Present",NA,NA
+"51861","Pretenellin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pretenellin B",NA,"CCC(C)C=C(C)C=CC(=O)C1=C(C(=CNC1=O)C2=CC=C(C=C2)O)O","RUYOCRHCIKMVOH-QDPFKYGGSA-N",91819831,NA,"PDBC51861","754581","Present",NA,NA
+"51862","Pretubulysin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790139",NA,"CCC(C)C(C(=O)N(C)C(CCC1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)C(C)C)NC(=O)C3CCCCN3C","IUQKJKPHUBJDJV-UMNBWOBWSA-N",44195319,NA,"PDBC51862","790139","Present",NA,NA
+"51863","Prieurianin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PRIEURIANIN FROM GUAREA TRICHILIOIDES",NA,"CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2=O)C3=COC=C3)C)O)C4(C(CC(=O)OC(C4CC(=O)OC)(C)COC(=O)C)OC(=O)C)C)OC=O)O","LRLMYQFHTXHFRH-UHFFFAOYSA-N",329486,NA,"PDBC51863","312621","Present",NA,NA
+"51864","Pristimerin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pristimerin",NA,"CC1=C(C(=O)C=C2C1=CC=C3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C(=O)OC)C)C)C)C)O","JFACETXYABVHFD-ZAZHENERSA-N",86280086,NA,"PDBC51864","791208","Present",NA,NA
+"51865","Prmt5-IN-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-06855800",NA,"C1=CC(=C(C=C1C(C2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)O)O)F)Cl","GTCYWLXMJRCJNE-QFRSUPTLSA-N",122497021,NA,"PDBC51865","809252","Present",NA,NA
+"51866","Proanthocyanidin B2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7...",NA,"C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O","XFZJEEAOWLFHDH-UHFFFAOYSA-N",130556,NA,"PDBC51866","143099","Present",NA,NA
+"51867","Probes1_000079",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Probes1_000079",NA,"C1=C2C3C(C4C(C2=CC(=C1C(=O)O)S(=O)(=O)O)C5(C(=C(C4(C5(Cl)Cl)Cl)Cl)Cl)Cl)C6(C(=C(C3(C6(Cl)Cl)Cl)Cl)Cl)Cl","QCIIYEDWVXHYTF-UHFFFAOYSA-N",430297,NA,"PDBC51867","270718","Present",NA,NA
+"51868","Probes1_000353",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Probes1_000353",NA,"C1C(=O)N(C(=S)S1)N=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]","UMJYWCAHEYFAMO-UUILKARUSA-N",5771619,NA,"PDBC51868","124808","Present",NA,NA
+"51869","Probes1_000354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Probes1_000354",NA,"CN1C(=CC=C1SC2=CC=C(N2C)C3=CN=CC=C3)C4=CN=CC=C4","KJMDINXKZZGZAN-UHFFFAOYSA-N",224958,NA,"PDBC51869","13831","Present",NA,NA
+"51870","Probes1_000359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Probes1_000359",NA,"C1CCC(CC1)N(CC2=CC(=C(C(=C2)Cl)O)Cl)CC3=CC(=C(C(=C3)Cl)O)Cl","LKJZEILBCMUOMY-UHFFFAOYSA-N",241476,NA,"PDBC51870","48874","Present",NA,NA
+"51871","Prochlorperazine edisylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prochlorperazine Edisylate///NSC757299",NA,"CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(CS(=O)(=O)O)S(=O)(=O)O","SWOUGRBFXFILIB-UHFFFAOYSA-N",91499,NA,"PDBC51871","665801///757299","Present",NA,NA
+"51872","Procodazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-benzimidazolepropionic acid",NA,"C1=CC=C2C(=C1)NC(=N2)CCC(=O)O","XYWJNTOURDMTPI-UHFFFAOYSA-N",65708,NA,"PDBC51872","35790","Present",NA,NA
+"51873","Prodelphiniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prodelphinidine",NA,"C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC4(C(C(C5=C(C=C(C=C5O4)O)O)O)O)C6=CC(=C(C(=C6)O)O)O","MNKQAVLCMUQMSD-UHFFFAOYSA-N",285704,NA,"PDBC51873","143101","Present",NA,NA
+"51874","Prodigiosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prodigiosin",NA,"CCCCCC1=C(NC(=C1)C=C2C(=CC(=N2)C3=CC=CN3)OC)C","SHUNBVWMKSXXOM-XDHOZWIPSA-N",135408511,NA,"PDBC51874","47147","Present",NA,NA
+"51875","Prodigiosine methyl ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prodigiosine methyl ketone",NA,"CC1=C(NC(=C1C(=O)C)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","AGGXTYGBDMCRDL-SQIOZQJDSA-N",135540840,NA,"PDBC51875","742413","Present",NA,NA
+"51876","Prodolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prodolic acid(usan)",NA,"CCCC1(C2=C(CCO1)C3=CC=CC=C3N2)CC(=O)O","IZGMROSLQHXRDZ-UHFFFAOYSA-N",37462,NA,"PDBC51876","299133","Present",NA,NA
+"51877","Prolinamide, 5-oxoprolylalanyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prolinamide, 5-oxoprolylalanyl-",NA,"CC(C(=O)N1CCCC1C(=O)N)NC(=O)C2CCC(=O)N2","RBDJKEOQHJJERX-UHFFFAOYSA-N",381831,NA,"PDBC51877","668904","Present",NA,NA
+"51878","Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]histidyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prolinamide, N-[(1,1-dimethylethoxy)carbonyl]histidyl-",NA,"CC(C)(C)OC(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)N","XUQAGEFQGZGTOD-UHFFFAOYSA-N",381635,NA,"PDBC51878","668457","Present",NA,NA
+"51879","Proline, 1-[(3,4-dimethoxyphenyl)phenylmethyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[(3,4-dimethoxyphenyl)phenylmethyl]-5-oxo-",NA,"COC1=C(C=C(C=C1)C(C2=CC=CC=C2)N3C(CCC3=O)C(=O)O)OC","AAAGUOJHUURVQP-UHFFFAOYSA-N",384212,NA,"PDBC51879","673617","Present",NA,NA
+"51880","Proline, 1-[(4-methoxyphenyl)(3,4,5-trimethoxyphenyl)methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4,4',5-Tetramethoxybenzhydryl)-5-oxopyrrolidine-2-carboxylic acid",NA,"COC1=CC=C(C=C1)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C(CCC3=O)C(=O)O","KUFJVCRFANWHDT-UHFFFAOYSA-N",384210,NA,"PDBC51880","673615","Present",NA,NA
+"51881","Proline, 1-[1,3-benzodioxol-5-yl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[1,3-benzodioxol-5-yl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC3=C(C=C2)OCO3)N4C(CCC4=O)C(=O)O","WCESIUPIBSZELE-UHFFFAOYSA-N",384209,NA,"PDBC51881","673614","Present",NA,NA
+"51882","Proline, 1-[1,3-benzodioxol-5-yl(4-methoxyphenyl)methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[1,3-benzodioxol-5-yl(4-methoxyphenyl)methyl]-5-oxo-",NA,"COC1=CC=C(C=C1)C(C2=CC3=C(C=C2)OCO3)N4C(CCC4=O)C(=O)O","YETYHCXNYZFWAD-UHFFFAOYSA-N",384214,NA,"PDBC51882","673619","Present",NA,NA
+"51883","Proline, 1-[1-naphthalenyl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[1-naphthalenyl(3,4,5-trimethoxyphenyl)methyl]-5-oxo-",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC3=CC=CC=C32)N4C(CCC4=O)C(=O)O","AMDKQPGEPSRORG-UHFFFAOYSA-N",463774,NA,"PDBC51883","695845","Present",NA,NA
+"51884","Proline, 1-[[acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[[acetyl(2,5-dimethoxyphenyl)amino]methyl]-5-oxo-",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=C(C=CC(=C2)OC)OC","ADALWYCTEFMIQB-UHFFFAOYSA-N",389179,NA,"PDBC51884","684863","Present",NA,NA
+"51885","Proline, 1-[[acetyl(2-chlorophenyl)amino]methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[[acetyl(2-chlorophenyl)amino]methyl]-5-oxo-",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC=CC=C2Cl","WQKWFRNHAVWMJF-UHFFFAOYSA-N",389178,NA,"PDBC51885","684862","Present",NA,NA
+"51886","Proline, 1-[[acetyl(3-hydroxyphenyl)amino]methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[[acetyl(3-hydroxyphenyl)amino]methyl]-5-oxo-",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC(=CC=C2)O","KXTBHBYYWXWIGE-UHFFFAOYSA-N",389177,NA,"PDBC51886","684861","Present",NA,NA
+"51887","Proline, 1-[[acetyl(3-methoxyphenyl)amino]methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[[acetyl(3-methoxyphenyl)amino]methyl]-5-oxo-",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC(=CC=C2)OC","ZMSCSTHTZZNNLP-UHFFFAOYSA-N",389174,NA,"PDBC51887","684858","Present",NA,NA
+"51888","Proline, 1-[[acetyl(4-methoxyphenyl)amino]methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[[acetyl(4-methoxyphenyl)amino]methyl]-5-oxo-",NA,"CC(=O)N(CN1C(CCC1=O)C(=O)O)C2=CC=C(C=C2)OC","GOVRLRGPOPNZQN-UHFFFAOYSA-N",389175,NA,"PDBC51888","684859","Present",NA,NA
+"51889","Proline, 1-[[acetyl(4-methylphenyl)amino]methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[[acetyl(4-methylphenyl)amino]methyl]-5-oxo-",NA,"CC1=CC=C(C=C1)N(CN2C(CCC2=O)C(=O)O)C(=O)C","UNJCNMHGYJVWCT-UHFFFAOYSA-N",389176,NA,"PDBC51889","684860","Present",NA,NA
+"51890","Proline, 1-[bis(3,4,5-trimethoxyphenyl)methyl]-5-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Proline, 1-[bis(3,4,5-trimethoxyphenyl)methyl]-5-oxo-",NA,"COC1=CC(=CC(=C1OC)OC)C(C2=CC(=C(C(=C2)OC)OC)OC)N3C(CCC3=O)C(=O)O","ROGSCYHMBANZDZ-UHFFFAOYSA-N",393635,NA,"PDBC51890","695843","Present",NA,NA
+"51891","Promethazine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Promethazine Hydrochloride",NA,"CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C.Cl","XXPDBLUZJRXNNZ-UHFFFAOYSA-N",6014,NA,"PDBC51891","231688","Present",NA,NA
+"51892","Promoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aromoline",NA,"CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)O)O)OC","LFFQVHXIFJLJSP-IZLXSDGUSA-N",362574,NA,"PDBC51892","93674","Present",NA,NA
+"51893","Pronuciferine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pronuciferine",NA,"CN1CCC2=CC(=C(C3=C2C1CC34C=CC(=O)C=C4)OC)OC","WUYQEGNOQLRQAQ-CQSZACIVSA-N",200480,NA,"PDBC51893","628007","Present",NA,NA
+"51894","Prop-2-enyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-enyl (1S,10R)-6-methyl-10-nonyl-7,9,12-triazatricyclo[6.3.1.04,12]dodeca-5,8-diene-5-carboxylate",NA,"CCCCCCCCCC1CC2CCC3N2C(=N1)NC(=C3C(=O)OCC=C)C","WQHZPLMEEVEBOO-LFPSWIHMSA-N",401694,NA,"PDBC51894","715424","Present",NA,NA
+"51895","Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-17-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-17-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-car",NA,"CC1CC(C2(C#CC=CC#CC3C14C2(O4)C5=C(N3C(=O)OCC=C)C=CC(=C5)O[Si](C)(C)C(C)(C)C)O)(OC)OC","ZDVISHDJBPHPMI-UUHJKSRFSA-N",11103814,NA,"PDBC51895","668914","Present",NA,NA
+"51896","Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-2-methyl-4-oxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-2-methyl-4-oxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate",NA,"CC1CC(=O)C2(C#CC=CC#CC3C14C2(O4)C5=C(N3C(=O)OCC=C)C=CC(=C5)O)O","UAAMEOYPINWBRY-KFOFRCPYSA-N",54600914,NA,"PDBC51896","668916","Present",NA,NA
+"51897","Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5,17-dihydroxy-4,4-dimethoxy-2-methyl-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,14(19),15,17-tetraen-6,10-diyne-13-carboxylate",NA,"CC1CC(C2(C#CC=CC#CC3C14C2(O4)C5=C(N3C(=O)OCC=C)C=CC(=C5)O)O)(OC)OC","PFDTZBDRFUFROC-XBWWFJOOSA-N",54608202,NA,"PDBC51897","668915","Present",NA,NA
+"51898","Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5-hydroxy-14-methoxy-2-methyl-4,17-dioxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,15,18-trien-6,10-diyne-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-enyl (1S,2S,5R,8Z,12S,20S)-5-hydroxy-14-methoxy-2-methyl-4,17-dioxo-21-oxa-13-azapentacyclo[10.9.0.01,20.05,20.014,19]henicosa-8,15,18-trien-6,10-diyne-13-carboxylate",NA,"CC1CC(=O)C2(C#CC=CC#CC3C14C2(O4)C5=CC(=O)C=CC5(N3C(=O)OCC=C)OC)O","ZDRFLSYEIRVDEX-NPNZLGMKSA-N",54608203,NA,"PDBC51898","668917","Present",NA,NA
+"51899","Prop-2-enyl (4aS,7S)-1-amino-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-(2-hydroxyethyl)-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-enyl (4aS,7S)-1-amino-3-[(4R)-4-[tert-butyl(dimethyl)silyl]oxypentyl]-7-(2-hydroxyethyl)-4a,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate;hydrochloride",NA,"CC(CCCC1=C(C2CCC(N2C(=N1)N)CCO)C(=O)OCC=C)O[Si](C)(C)C(C)(C)C.Cl","SAFPNWKHPCEVRI-GWCBTUNRSA-N",5470388,NA,"PDBC51899","700561","Present",NA,NA
+"51900","Prop-2-enyl 1-(2,2-dichloroacetyl)-5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-enyl 1-(2,2-dichloroacetyl)-5-oxopyrrolidine-2-carboxylate",NA,"C=CCOC(=O)C1CCC(=O)N1C(=O)C(Cl)Cl","GOMTXFLKUUWSLL-UHFFFAOYSA-N",367287,NA,"PDBC51900","636835","Present",NA,NA
+"51901","Prop-2-enyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-enyl 6,7-dichloro-3-methyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)C(=O)OCC=C","MPFZCKDAKDLQAA-UHFFFAOYSA-N",404276,NA,"PDBC51901","720459","Present",NA,NA
+"51902","Prop-2-enyl[3,4,4-trichloro-2-nitro-1-(prop-2-enylamino)buta-1,3-dienyl]amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-enyl[3,4,4-trichloro-2-nitro-1-(prop-2-enylamino)buta-1,3-dienyl]amine",NA,"C=CCNC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])NCC=C","SUUBWJAHWADVLH-UHFFFAOYSA-N",394693,NA,"PDBC51902","698361","Present",NA,NA
+"51903","Prop-2-ynyl 2-amino-3-hydroxybutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-ynyl 2-amino-3-hydroxy-butanoate",NA,"CC(C(C(=O)OCC#C)N)O","SOGKISKKYNQUEP-UHFFFAOYSA-N",388710,NA,"PDBC51903","683772","Present",NA,NA
+"51904","Prop-2-ynyl 2-amino-3-sulfanylpropanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-ynyl 2-amino-3-sulfanyl-propanoate hydrochloride",NA,"C#CCOC(=O)C(CS)N.Cl","LWLMPHPLXHNUJD-UHFFFAOYSA-N",388711,NA,"PDBC51904","683773","Present",NA,NA
+"51905","Prop-2-ynyl 2-amino-4-methylsulfanylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-ynyl 2-amino-4-methylsulfanyl-butanoate",NA,"CSCCC(C(=O)OCC#C)N","CJOWINBUPYLRHY-UHFFFAOYSA-N",388709,NA,"PDBC51905","683771","Present",NA,NA
+"51906","Prop-2-ynyl 2-amino-5-(diaminomethylideneamino)pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prop-2-ynyl 2-amino-5-(diaminomethylideneamino)pentanoate",NA,"C#CCOC(=O)C(CCCN=C(N)N)N","DJMMUGPAPFFJQC-UHFFFAOYSA-N",387278,NA,"PDBC51906","680929","Present",NA,NA
+"51907","Prop-2-ynyl 2-diazo-5-methyl-3-oxo-hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Diazonio-5-methyl-3-oxo-1-(prop-2-yn-1-yloxy)hex-1-en-1-olate",NA,"CC(C)CC(=O)C(=[N+]=[N-])C(=O)OCC#C","IHZSLVDHUVJLRM-UHFFFAOYSA-N",379178,NA,"PDBC51907","663588","Present",NA,NA
+"51908","Propan-2-one;rhodium(2+);2,2,2-trifluoroacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC654728",NA,"CC(=O)C.C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Rh+2].[Rh+2]","ZWMFURBJRNJRFT-UHFFFAOYSA-J",375257,NA,"PDBC51908","654728","Present",NA,NA
+"51909","Propan-2-yl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate",NA,"CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3C(=O)OC(C)C)CC5=CC=CC=C5)C(=C1OC)OC)OC","MRHOATBYANZPIH-JHYXWMTNSA-N",6330788,NA,"PDBC51909","622074","Present",NA,NA
+"51910","Propan-2-yl (1R,9S,12E)-3,4,6-trimethoxy-11-[(4-methoxyphenyl)methyl]-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl (1R,9S,12E)-3,4,6-trimethoxy-11-[(4-methoxyphenyl)methyl]-5-methyl-10-oxo-12-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene-13-carbox",NA,"CC1=C(C2=C(C3C(=CC4=CC(=C(C(=C4OC)C)OC)OC)N(C(=O)C(C2)N3C(=O)OC(C)C)CC5=CC=C(C=C5)OC)C(=C1OC)OC)OC","BERPBCSSMLNYMX-PBOVWJFESA-N",6330789,NA,"PDBC51910","622075","Present",NA,NA
+"51911","Propan-2-yl (2S,3S)-3-[5-[dimethyl(phenyl)silyl]-2H-oxazin-3-yl]-2,4-dihydroxybutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Isopropyl(2s,3s)-3-[5-(dimethyl-phenyl-silyl)-2h-oxazin-3-yl]-2,4-dihydroxy-butanoate",NA,"CC(C)OC(=O)C(C(CO)C1=CC(=CON1)[Si](C)(C)C2=CC=CC=C2)O","SOICQPFUVLTMLM-AEFFLSMTSA-N",395313,NA,"PDBC51911","699795","Present",NA,NA
+"51912","Propan-2-yl (3Z)-4-[(4-methoxyphenyl)methyl]-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl (3Z)-4-[(4-methoxyphenyl)methyl]-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate",NA,"CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2C(=O)OC(C)C)CC4=CC=C(C=C4)OC)OC","OQASDBXVYYAUOR-NTFVMDSBSA-N",5387229,NA,"PDBC51912","622071","Present",NA,NA
+"51913","Propan-2-yl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl (3Z)-4-benzyl-2,5-dioxo-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-3-[(2,4,5-trimethoxy-3-methylphenyl)methylidene]piperazine-1-carboxylate",NA,"CC1=C(C(=CC(=C1OC)OC)CC2C(=O)N(C(=CC3=CC(=C(C(=C3OC)C)OC)OC)C(=O)N2C(=O)OC(C)C)CC4=CC=CC=C4)OC","SKESHLUVQUFVJP-YUMHPJSZSA-N",5387228,NA,"PDBC51913","622070","Present",NA,NA
+"51914","Propan-2-yl (7S,8R,9S)-7,8,9-trichloro-5-oxo-8,9-dihydro-7H-pyrido[2,3-a]indolizine-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl (7S,8R,9S)-7,8,9-trichloro-5-oxo-8,9-dihydro-7H-pyrido[2,3-a]indolizine-10-carboxylate",NA,"CC(C)OC(=O)C1=C2C3=C(C=CC=N3)C(=O)N2C(C(C1Cl)Cl)Cl","NROKSFFCFRAWQB-OPQQBVKSSA-N",400485,NA,"PDBC51914","712299","Present",NA,NA
+"51915","Propan-2-yl (7S,8S,9R)-7,8,9-trichloro-5-oxo-8,9-dihydro-7H-pyrido[2,3-a]indolizine-10-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl (7S,8S,9R)-7,8,9-trichloro-5-oxo-8,9-dihydro-7H-pyrido[2,3-a]indolizine-10-carboxylate",NA,"CC(C)OC(=O)C1=C2C3=C(C=CC=N3)C(=O)N2C(C(C1Cl)Cl)Cl","NROKSFFCFRAWQB-GBIKHYSHSA-N",400486,NA,"PDBC51915","712300","Present",NA,NA
+"51916","Propan-2-yl 2-(2,5-dichlorophenyl)hydrazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC408050",NA,"CC(C)OC(=O)NNC1=C(C=CC(=C1)Cl)Cl","OFEYEBCWSYDTJV-UHFFFAOYSA-N",245547,NA,"PDBC51916","408050","Present",NA,NA
+"51917","Propan-2-yl 2-chloro-4-[(3,6-dioxocyclohexa-1,4-dien-1-yl)methylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-chloro-4-[[(3,6-dioxo-1,4-cyclohexadieny...",NA,"CC(C)OC(=O)C1=C(C=C(C=C1)NCC2=CC(=O)C=CC2=O)Cl","CHRRHHZGQZFPKS-UHFFFAOYSA-N",390157,NA,"PDBC51917","687225","Present",NA,NA
+"51918","Propan-2-yl 2-chloro-5-[(2-methoxybenzoyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 2-chloro-5-[[(2-methoxyphenyl)carbonyl] am...",NA,"CC(C)OC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2OC)Cl","NGTXXSPAQKTCOA-UHFFFAOYSA-N",361504,NA,"PDBC51918","624575","Present",NA,NA
+"51919","Propan-2-yl 3-chloro-5-[1-(3-chloro-4-hydroxy-5-propan-2-yloxycarbonylphenyl)-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-hydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5.alpha.)-3.beta.-[4,4-Di(5'-chloro-4'-hydroxy-3'-(1-me...",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)OC(C)C)C6=CC(=C(C(=C6)Cl)O)C(=O)OC(C)C)C)C","KCQSPSQLSCOINC-SCCGAENTSA-N",388790,NA,"PDBC51919","683876","Present",NA,NA
+"51920","Propan-2-yl 4-[[3-[(4-chloro-2-methylphenyl)carbamoyl]-7,8-dimethoxy-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carbonyl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl 4-[[3-[(4-chloro-2-methylphenyl)carbamoyl]-7,8-dimethoxy-5-oxo-[1,3]thiazolo[2,3-b]quinazoline-2-carbonyl]amino]benzoate",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)C2=C(SC3=NC4=CC(=C(C=C4C(=O)N23)OC)OC)C(=O)NC5=CC=C(C=C5)C(=O)OC(C)C","WCLJJWRVZNSGHY-UHFFFAOYSA-N",45028560,NA,"PDBC51920","743247","Present",NA,NA
+"51921","Propan-2-yl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl 5-[(Z)-[3-methoxy-5-(1H-pyrrol-2-yl)pyrrol-2-ylidene]methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate;hydrochloride",NA,"CC1=C(NC(=C1C(=O)OC(C)C)C)C=C2C(=CC(=N2)C3=CC=CN3)OC.Cl","UPCAIKXYYKGYLJ-WPTDRQDKSA-N",136040160,NA,"PDBC51921","753662","Present",NA,NA
+"51922","Propan-2-yl N-(3-chloroanilino)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl 2-(3-chlorophenyl)hydrazinecarboxylate",NA,"CC(C)OC(=O)NNC1=CC(=CC=C1)Cl","XXMJLNVCUYMLPE-UHFFFAOYSA-N",232373,NA,"PDBC51922","29700","Present",NA,NA
+"51923","Propan-2-yl N-hexadecylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propan-2-yl hexadecylcarbamate",NA,"CCCCCCCCCCCCCCCCNC(=O)OC(C)C","UMMCTIRBSNSOIX-UHFFFAOYSA-N",238166,NA,"PDBC51923","42405","Present",NA,NA
+"51924","Propanamide,n-(5-bromo-2-pyridinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-60745",NA,"CCSC1=C(SC(=NC2=CC=C(C=C2)N=C3SC(=C(S3)SC)C)S1)C4=CC=C(C=C4)C","WNILRNLNRJSMSI-UHFFFAOYSA-N",387509,NA,"PDBC51924","681319","Present",NA,NA
+"51925","Propane-1,3-diylbis(triphenylphosphonium) dibromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625187///NSC84073",NA,"C1=CC=C(C=C1)[P+](CCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","RJUVVNLKTAWSCY-UHFFFAOYSA-M",361866,NA,"PDBC51925","625187///84073","Present",NA,NA
+"51926","Propanedinitrile, (10-hydrazono-9(10H)-anthracenylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedinitrile, (10-hydrazono-9(10H)-anthracenylidene)-",NA,"C1=CC=C2C(=C1)C(=C(C#N)C#N)C3=CC=CC=C3C2=NN","LDQYWCSUCBIOQT-UHFFFAOYSA-N",395930,NA,"PDBC51926","701025","Present",NA,NA
+"51927","Propanedinitrile, (3,4-dihydro-1,1-dioxido-1-benzothiepin-5(2H)-ylidene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1,1-Dioxido-3,4-dihydro-1-benzothiepin-5(2h)-ylidene)propanedinitrile",NA,"C1CC(=C(C#N)C#N)C2=CC=CC=C2S(=O)(=O)C1","RAIQEXUOPXMWGF-UHFFFAOYSA-N",391880,NA,"PDBC51927","691561","Present",NA,NA
+"51928","Propanedinitrile, 1H-indazol-6-ylhydrazono-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"propanedinitrile, 1h-indazol-6-ylhydrazono-",NA,"C1=CC2=C(C=C1NN=C(C#N)C#N)NN=C2","KBHJCKDSZFMKDB-UHFFFAOYSA-N",334142,NA,"PDBC51928","338517","Present",NA,NA
+"51929","Propanedinitrile, 2,2'-(4,6-dihydrofluoreno[4,5-def][1,3]diazepine-5,10-diylidene)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedinitrile, 2,2'-(4,6-dihydrofluoreno[4,5-def][1,3]diazepine-5,10-diylidene)bis-",NA,"C1=CC2=C3C(=C1)NC(=C(C#N)C#N)NC4=CC=CC(=C43)C2=C(C#N)C#N","NFAOXJNISLKRSW-UHFFFAOYSA-N",361851,NA,"PDBC51929","625172","Present",NA,NA
+"51930","Propanedinitrile, 2,2'-(hexahydro-1,4-pentalenediylidene)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedinitrile, 2,2'-(hexahydro-1,4-pentalenediylidene)bis-",NA,"C1CC(=C(C#N)C#N)C2C1C(=C(C#N)C#N)CC2","ABHNJQPWUGYABV-UHFFFAOYSA-N",361887,NA,"PDBC51930","625232","Present",NA,NA
+"51931","Propanedioic acid, [(2-chlorophenyl)methylene]-, diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"malonic acid, (o-chlorobenzylidene)-, diethyl ester (8ci)",NA,"CCOC(=O)C(=CC1=CC=CC=C1Cl)C(=O)OCC","OJWGHOBMLQZGJO-UHFFFAOYSA-N",297307,NA,"PDBC51931","168418","Present",NA,NA
+"51932","Propanedioic acid, bis[2-[(4-chlorophenyl)thioxomethyl]-2-methylhydrazide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedioic acid, bis[2-[(4-chlorophenyl)thioxomethyl]-...",NA,"CN(C(=S)C1=CC=C(C=C1)Cl)NC(=O)CC(=O)NN(C)C(=S)C2=CC=C(C=C2)Cl","LYWWILDQHVTJKY-UHFFFAOYSA-N",300472,NA,"PDBC51932","174940","Present",NA,NA
+"51933","Propanedioic acid, bis[2-[(4-methoxyphenyl)thioxomethyl]-2-methylhydrazide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedioic acid, bis[2-[(4-methoxyphenyl)thioxomethyl]...",NA,"CN(C(=S)C1=CC=C(C=C1)OC)NC(=O)CC(=O)NN(C)C(=S)C2=CC=C(C=C2)OC","VSOAZRNZKXYWDG-UHFFFAOYSA-N",300473,NA,"PDBC51933","174941","Present",NA,NA
+"51934","Propanedioic acid, trisodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedioic acid, (mercaptophenylphosphinothioyl)-, tri...",NA,"C1=CC=C(C=C1)P(=S)(C(C(=O)O)C(=O)O)S.[Na+]","FDFCUJXEBDRFSO-UHFFFAOYSA-N",54611330,NA,"PDBC51934","634089","Present",NA,NA
+"51935","Propanedithioamide, 2-[(4-aminocarbonyl-1H-imidazol-5-yl)hydrazono]-N-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanedithioamide, 2-[(4-aminocarbonyl-1H-imidazol-5-yl...",NA,"CNC(=S)C(=NNC1=C(NC=N1)C(=O)N)C(=S)N","HTLIKQVGPDUVIY-CPSFFCFKSA-N",5466293,NA,"PDBC51935","684046","Present",NA,NA
+"51936","Propanenitrile, 3,3'-[[4-[(4,5-dihydro-5-oxo-2-phenyl-4-oxazolyl)methyl]-3-methylphenyl]imino]bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanenitrile, 3,3'-[[4-[(4,5-dihydro-5-oxo-2-phenyl-4-oxazolyl)methyl]-3-methylphenyl]imino]bis-",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)CC2C(=O)OC(=N2)C3=CC=CC=C3","CAXCBLIMJGHOFX-UHFFFAOYSA-N",369346,NA,"PDBC51936","641101","Present",NA,NA
+"51937","Propanesulfonamide, N-(4-(acridin-9-ylamino)-3-methoxyphenyl)-, methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyp...",NA,"CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC.CS(=O)(=O)O","GJANYQFETOVQHN-UHFFFAOYSA-N",148870,NA,"PDBC51937","243929","Present",NA,NA
+"51938","Propanimidoyl chloride, 2-methyl-N-[[[[3-(trifluoromethyl)phenyl]amino]carbonyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, 2-methyl- N-[[[[3-(trifluorometh...",NA,"CC(C)C(=NOC(=O)NC1=CC=CC(=C1)C(F)(F)F)Cl","SBOFGAVSIVHESL-ZDLGFXPLSA-N",9556250,NA,"PDBC51938","682827","Present",NA,NA
+"51939","Propanimidoyl chloride, N-[[[(4-fluorophenyl)amino]carbonyl]oxy]-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[(4-fluorophenyl)amino]carbo...",NA,"CC(C)C(=NOC(=O)NC1=CC=C(C=C1)F)Cl","BPTQFEISWMIPEQ-XNTDXEJSSA-N",5466019,NA,"PDBC51939","672045","Present",NA,NA
+"51940","Propanimidoyl chloride, N-[[[(4-methoxy-3-methylphenyl) amino]carbonyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[(4-methoxy-3-methylphenyl) ...",NA,"CCC(=NOC(=O)NC1=CC(=C(C=C1)OC)C)Cl","BQQRRAPKJQAAEF-RVDMUPIBSA-N",5466256,NA,"PDBC51940","682826","Present",NA,NA
+"51941","Propanimidoyl chloride, N-[[[(4-methoxyphenyl)amino] carbonyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[(4-methoxyphenyl)amino] car...",NA,"CCC(=NOC(=O)NC1=CC=C(C=C1)OC)Cl","VEEMNYFRFIZRPA-GXDHUFHOSA-N",5466263,NA,"PDBC51941","682833","Present",NA,NA
+"51942","Propanimidoyl chloride, N-[[[[(4-aminosulfonyl)phenyl]amino]carbonyl]oxy]-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[[(4-aminosulfonyl)phenyl]am...",NA,"CC(C)C(=NOC(=O)NC1=CC=C(C=C1)S(=O)(=O)N)Cl","DKAJMQRQZTWDRM-XNTDXEJSSA-N",5466025,NA,"PDBC51942","672051","Present",NA,NA
+"51943","Propanimidoyl chloride, N-[[[[2-(trifluoromethoxy)phenyl] amino]carbonyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[[2-(trifluoromethoxy)phenyl...",NA,"CCC(=NOC(=O)NC1=CC=CC=C1OC(F)(F)F)Cl","SCUXNDZQBZNNKT-RQZCQDPDSA-N",5466266,NA,"PDBC51943","682836","Present",NA,NA
+"51944","Propanimidoyl chloride, N-[[[[2-methoxy-5-(trifluoromethyl)phenyl]amino]carbonyl]oxy]-2-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[[2-methoxy- 5-(trifluoromet...",NA,"CC(C)C(=NOC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC)Cl","ZYQLQBDROPYYOL-YBFXNURJSA-N",5466269,NA,"PDBC51944","682839","Present",NA,NA
+"51945","Propanimidoyl chloride,4-difluorophenyl)amino] carbonyl]oxy]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanimidoyl chloride, N-[[[(2,4-difluorophenyl)amino] ...",NA,"CCC(=NOC(=O)NC1=C(C=C(C=C1)F)F)Cl","XCFSXBDWACVBHR-OQLLNIDSSA-N",5466264,NA,"PDBC51945","682834","Present",NA,NA
+"51946","Propanoic acid,sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656889",NA,"CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl.[Na+]","OJENKXNXJPNEPU-UHFFFAOYSA-N",54608963,NA,"PDBC51946","656889","Present",NA,NA
+"51947","Propanol, 2,2-bis(piperidinomethyl)-3-piperidino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-121777",NA,"C1CCN(CC1)CC(CN2CCCCC2)(CN3CCCCC3)CO","AEHVYNQIUPBRDI-UHFFFAOYSA-N",377572,NA,"PDBC51947","659137","Present",NA,NA
+"51948","Propionic acid, 3-(purin-6-ylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t56 bm dn fn hnj is2vq",NA,"C1=NC2=C(N1)C(=NC=N2)SCCC(=O)O","CSOKIZRBAMNJDO-UHFFFAOYSA-N",69096,NA,"PDBC51948","22242","Present",NA,NA
+"51949","Propionic acid,2'-thiodi-, bis[(m-methoxybenzylidene)hydrazide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanoic acid, 2,2'-thiobis-, bis[[(3-methoxyphenyl)met...",NA,"CC(C(=O)NN=CC1=CC(=CC=C1)OC)SC(C)C(=O)NN=CC2=CC(=CC=C2)OC","RGOGHTJKUCHEDX-NQGGHMMCSA-N",5351176,NA,"PDBC51949","56737","Present",NA,NA
+"51950","Propiophenone, 3-phenyl-3-piperidino-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PROPIOPHENONE, 3-PHENYL-3-PIPERIDINO-",NA,"C1CCN(CC1)C(CC(=O)C2=CC=CC=C2)C3=CC=CC=C3","CVVZGKZBSZURJO-UHFFFAOYSA-N",219163,NA,"PDBC51950","35446","Present",NA,NA
+"51951","Propiophenone,2,4,4a,5,6-hexahydro-3H-pyrazino[1,2-a]quinolin-3-yl)-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propiophenone, 4'-fluoro-3-(1,2,4,4a,5,6-hexahydro-3H-py...",NA,"C1CC2=CC=CC=C2N3C1CN(CC3)CCC(=O)C4=CC=C(C=C4)F.Cl","LWEFVOQSTJIYDV-UHFFFAOYSA-N",24192024,NA,"PDBC51951","147865","Present",NA,NA
+"51952","Propyl 1-(2,2-dichloroacetyl)-5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propyl 1-(2,2-dichloroacetyl)-5-oxopyrrolidine-2-carboxylate",NA,"CCCOC(=O)C1CCC(=O)N1C(=O)C(Cl)Cl","KAYSJEMXIYFRCA-UHFFFAOYSA-N",367286,NA,"PDBC51952","636834","Present",NA,NA
+"51953","Propyl 1-(2-chloropropanoyl)-5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propyl 1-(2-chloropropanoyl)-5-oxopyrrolidine-2-carboxylate",NA,"CCCOC(=O)C1CCC(=O)N1C(=O)C(C)Cl","XCKNUZTXKSSGQT-UHFFFAOYSA-N",367288,NA,"PDBC51953","636836","Present",NA,NA
+"51954","Propyl 2-{[(tert-butoxy)carbonyl]amino}acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate",NA,"CCCOC(=O)CNC(=O)OC(C)(C)C","JJRCBYIAIXITJN-UHFFFAOYSA-N",357715,NA,"PDBC51954","617232","Present",NA,NA
+"51955","Propyl 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium-5-carboxylate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propyl 6,7-dimethylimidazo[2,1-b][1,3]thiazol-4-ium-5-carboxylate;iodide",NA,"CCCOC(=O)C1=C(N(C2=[N+]1C=CS2)C)C.[I-]","HZRZPXWBGQZGQW-UHFFFAOYSA-M",10499110,NA,"PDBC51955","741776","Present",NA,NA
+"51956","Propyl alpha, sodium salt (2:1 mixture)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propyl .alpha.,.beta.-D-glucopyranoside- 6-sulfonic acid...",NA,"CCCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.CCCOC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O.[Na+]","ZZLWAOBXYUGAQW-UHFFFAOYSA-N",54600789,NA,"PDBC51956","626236","Present",NA,NA
+"51957","Propyl alpha, sodium salt, tri-O-acatate, monohydrate (3:2 mixture)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propyl .alpha.,.beta.-D-glucopyranoside-6-sulfonic acid,...",NA,"CCCOC1C(C(C(C(O1)CS(=O)(=O)O)OC(=O)C)OC(=O)C)OC(=O)C.[Na+]","CIFAIOCRAPCYNF-UHFFFAOYSA-N",54608643,NA,"PDBC51957","626556","Present",NA,NA
+"51958","Propyl gallate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propyl Gallate",NA,"CCCOC(=O)C1=CC(=C(C(=C1)O)O)O","ZTHYODDOHIVTJV-UHFFFAOYSA-N",4947,NA,"PDBC51958","2626","Present",NA,NA
+"51959","Propyl quinacrine mustard",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propyl quinacrine mustard",NA,"COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NCCCN(CCCl)CCCl.Cl","GRWWEYSVLARNEX-UHFFFAOYSA-N",24182496,NA,"PDBC51959","17273","Present",NA,NA
+"51960","Propyl-1-aminium,5-bis(phenylmethylene)-4-oxo-piperidin-1-yl]-3-oxo-N,N,N-trimethyl-, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propyl-1-aminium, 3-[3,5-bis(phenylmethylene)-4-oxo- pip...",NA,"C[N+](C)(C)CCC(=O)N1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1.[Br-]","AUUOGAVSBZTROQ-VLQAMQNLSA-M",5388801,NA,"PDBC51960","638635","Present",NA,NA
+"51961","Propylamine, monohydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propylamine, 3-(2-chloro-4-nitrophenoxy)-, monohydrobromide",NA,"C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCCCN.Br","HMKONULKOQQNTG-UHFFFAOYSA-N",21144443,NA,"PDBC51961","123516","Present",NA,NA
+"51962","Propylene dimethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"propylene dimethanesulfonate",NA,"CS(=O)(=O)OCCCOS(=O)(=O)C","MAIFZJHANFOZHK-UHFFFAOYSA-N",27532,NA,"PDBC51962","17017","Present",NA,NA
+"51963","Propylene sulfite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"propylene sulfite",NA,"CC1COS(=O)O1","SJHAYVFVKRXMKG-UHFFFAOYSA-N",15117,NA,"PDBC51963","525703","Present",NA,NA
+"51964","Proquinolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mequinolate",NA,"CC(C)OC1=C(C=C2C(=C1)C(=O)C(=CN2)C(=O)OC)OC(C)C","VSIUFPQOEIKNCY-UHFFFAOYSA-N",15547,NA,"PDBC51964","201112","Present",NA,NA
+"51965","Prospidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prospidin",NA,"C1C[N+]2(CCN1CC(CCl)O)CC[N+]3(CCN(CC3)CC(CCl)O)CC2.[Cl-]","CNCQWOQGHOHTIX-UHFFFAOYSA-M",9846436,NA,"PDBC51965","166100","Present",NA,NA
+"51966","Prostratin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prostratin",NA,"CC1CC2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=C3)CO)O)C)O)OC(=O)C","BOJKFRKNLSCGHY-UMJKPZNRSA-N",360836,NA,"PDBC51966","623310","Present",NA,NA
+"51967","Protease inhibitor from rabbit skeletal muscle",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protease inhibitor from rabbit skeletal muscle",NA,NA,NA,NA,NA,"PDBC51967","694282","Present",NA,NA
+"51968","Protein Toxin A 23 - MW approx. 6700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein Toxin A 23 - MW approx. 6700",NA,NA,NA,NA,NA,"PDBC51968","650289","Present",NA,NA
+"51969","Protein toxin B 15 - MW approx 6700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein toxin B 15 - MW approx 6700",NA,NA,NA,NA,NA,"PDBC51969","650290","Present",NA,NA
+"51970","Protein toxin C 10 - MW approx. 6700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein toxin C 10 - MW approx. 6700",NA,NA,NA,NA,NA,"PDBC51970","650291","Present",NA,NA
+"51971","Protein toxin D 5 - MW approx 6700",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein toxin D 5 - MW approx 6700",NA,NA,NA,NA,NA,"PDBC51971","650292","Present",NA,NA
+"51972","Protein: 33",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein: 33",NA,NA,NA,NA,NA,"PDBC51972","678522","Present",NA,NA
+"51973","Protein: EF",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein: EF",NA,NA,NA,NA,NA,"PDBC51973","678519","Present",NA,NA
+"51974","Protein: FP59",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein: FP59",NA,NA,NA,NA,NA,"PDBC51974","678520","Present",NA,NA
+"51975","Protein: LF",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein: LF",NA,NA,NA,NA,NA,"PDBC51975","678518","Present",NA,NA
+"51976","Protein: LF-TTLC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein: LF-TTLC",NA,NA,NA,NA,NA,"PDBC51976","678521","Present",NA,NA
+"51977","Protein: PA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein: PA",NA,NA,NA,NA,NA,"PDBC51977","678517","Present",NA,NA
+"51978","Protein: PA30-14",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein: PA30-14",NA,NA,NA,NA,NA,"PDBC51978","678523","Present",NA,NA
+"51979","Protein: PAHIV1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein: PAHIV1",NA,NA,NA,NA,NA,"PDBC51979","678524","Present",NA,NA
+"51980","Protein: PAHIV4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protein: PAHIV4",NA,NA,NA,NA,NA,"PDBC51980","678525","Present",NA,NA
+"51981","Protodioscin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protodioscin",NA,"CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O","LVTJOONKWUXEFR-JJJZJWRYSA-N",6712591,NA,"PDBC51981","698796","Present",NA,NA
+"51982","Protoleucomelone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"protoleucomelone",NA,"CC(=O)OC1=CC=C(C=C1)C2=C(C(=C(C(=C2OC(=O)C)OC(=O)C)C3=CC(=C(C=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","HPFJFTKHDYGPOR-UHFFFAOYSA-N",404979,NA,"PDBC51982","721619","Present",NA,NA
+"51983","Protoneodioscin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Protoneodioscin",NA,"CC1C2C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)C)O)O)O)O)OC8C(C(C(C(O8)C)O)O)O)C)C)OC1(CCC(C)COC9C(C(C(C(O9)CO)O)O)O)O","LVTJOONKWUXEFR-ZKTFDPTGSA-N",6712584,NA,"PDBC51983","698789","Present",NA,NA
+"51984","Prototryptochrome, iodo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Prototryptochrome, iodo-",NA,"C1=CC=C2C(=C1)C3C4N2C(=N)C(C5(C4N(C6=CC=CC=C65)C(=N)C3O)I)O","OHXRFXUHYNXSGY-UHFFFAOYSA-N",273178,NA,"PDBC51984","118176","Present",NA,NA
+"51985","Proxazole citrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"toness",NA,"CCC(C1=CC=CC=C1)C2=NOC(=N2)CCN(CC)CC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","WFAULHLDTDDABL-UHFFFAOYSA-N",8589,NA,"PDBC51985","303872","Present",NA,NA
+"51986","Prumycin HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prumycin",NA,"CC(C(=O)NC(CO)C(C(C=O)N)O)N.Cl","BWDOCCNJZQOHQF-GYENTSQJSA-N",24197905,NA,"PDBC51986","278619","Present",NA,NA
+"51987","Psammaplin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"B723735K022",NA,"C1=CC(=C(C=C1CC(=NO)C(=O)NCCSSCCNC(=O)C(=NO)CC2=CC(=C(C=C2)O)Br)Br)O","LMAFSGDNHVBIHU-XUIWWLCJSA-N",6400741,NA,"PDBC51987","614495","Present",NA,NA
+"51988","Pseudoakuammigine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PSEUDOAKUAMMIGINE",NA,"CC=C1CN2CCC34C5=CC=CC=C5N(C36C2CC1C4(CO6)C(=O)OC)C","HAGBWVNSVWLTKY-LNKIKWGQSA-N",5478100,NA,"PDBC51988","381082","Present",NA,NA
+"51989","Pseudocoralyne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pseudocoralyne",NA,"CC(=O)C1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC","SOHXPAIDAXNJNZ-UHFFFAOYSA-N",72351,NA,"PDBC51989","98542","Present",NA,NA
+"51990","Pseudoephedrine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"besan",NA,"CC(C(C1=CC=CC=C1)O)NC.Cl","BALXUFOVQVENIU-KXNXZCPBSA-N",9581,NA,"PDBC51990","33634","Present",NA,NA
+"51991","Pseudolarolide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudolarolide B",NA,"CC1CC2(C=C(C(=O)O2)C)OC3C1C4(CCC56CC57CCC(=O)C(C7CCC6C4(C3)C)(C)C)C","ULWBDUNMGKITLY-IOHABJLPSA-N",6711550,NA,"PDBC51991","630837","Present",NA,NA
+"51992","Pseudolarolide C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudolarolide C",NA,"CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC5(C(CCC6C4(C3)C)C(C)(C)O)CCC(=O)OC)C","YBQWVVDWBNHYPN-TZXWZJMFSA-N",6711551,NA,"PDBC51992","630838","Present",NA,NA
+"51993","Pseudolarolide D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudolarolide D",NA,"CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC57CCC(=O)OC(C7CCC6C4(C3)C)(C)C)C","CXOURXPOOHLOKR-HFOPWLQVSA-N",6711552,NA,"PDBC51993","630839","Present",NA,NA
+"51994","Pseudolarolide F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudolarolide F",NA,"CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC5(C=C6C(CCCC4(C3)C)C(OC(=O)C=C6O5)(C)C)O)C","CGCRMQVWDAOCHS-FMDZHGMKSA-N",6711553,NA,"PDBC51994","630840","Present",NA,NA
+"51995","Pseudolarolide G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudolarolide G",NA,"CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC7(C=CC(=O)OC(C7CCC5C4(C3)C)(C)C)OO6)C","KYSAZQMUXWZIQI-KPTZHYDISA-N",6711554,NA,"PDBC51995","630841","Present",NA,NA
+"51996","Pseudolarolide I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudolarolide I",NA,"CC1CC2(CC(C(=O)O2)C)OC3C1C4(CCC56CC7(C(CCC5C4(C3)C)C(OC(=O)CC7OO6)(C)C)O)C","WWHDTNBUKVCZRA-PNKYJZNVSA-N",6711555,NA,"PDBC51996","630842","Present",NA,NA
+"51997","Pseudolycorine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudolycorine hydrochloride",NA,"COC1=C(C=C2C3C(C(C=C4C3N(CC4)CC2=C1)O)O)O.Cl","JARKVZLSZVTMPN-UHFFFAOYSA-N",24198811,NA,"PDBC51997","305489","Present",NA,NA
+"51998","Pseudoplexauric acid methyl ester (PAME)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudoplexauric acid methyl ester (PAME)",NA,"CC1=CCCC2(C(O2)CC(CCC(=CCC1)C)C(=C)C(=O)OC)C","IMDCCJVYXFXTMV-HZFLVBQBSA-N",5469753,NA,"PDBC51998","692195","Present",NA,NA
+"51999","Pseudopteranoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pseudopteranoic acid",NA,"CC(=C)C1CCC2=CC(C(C3=CC(=C(C1)O3)C(=O)O)C(=C)C)OC2=O","MWPXGKCYXBBIKZ-XHBKTUGNSA-N",387975,NA,"PDBC51999","682339","Present",NA,NA
+"52000","Pseudourea, 2-dodecyl-1,3-dimethyl-2-thio-, hydriodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"carbamimidothioic acid, n,n'-dimethyl-, dodecyl ester, m...",NA,"CCCCCCCCCCCCSC(=NC)NC.I","UVZFSSUXLWWLSM-UHFFFAOYSA-N",79376,NA,"PDBC52000","3518","Present",NA,NA
+"52001","Psicoplanocin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Psicoplanocin",NA,"C1=C(C(C(C1(CO)N2C=NC3=C(N=CN=C32)N)O)O)CO","KAHFNGFFLLIPDJ-KWPJZBAWSA-N",6711586,NA,"PDBC52001","631876","Present",NA,NA
+"52002","Psoralin, B-diethylamino-5-ethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PSORALIN, B-DIETHYLAMINO-5-ETHOXY-",NA,"CCN(CC)CCOC1=C2C=CC(=O)OC2=CC3=C1C=CO3.Cl","DWAOUXYZOSPAOH-UHFFFAOYSA-N",24199770,NA,"PDBC52002","341960","Present",NA,NA
+"52003","Ptilomycalin A format salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ptilomycalin A format salt",NA,"CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCCN)CCCN)CCCC(O5)C.C(=O)[O-]","GZQCQIJREKFTGX-GYZMTDKTSA-N",395755,NA,"PDBC52003","700559","Present",NA,NA
+"52004","Pubchem_21189377",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;6-(6-aminopurin-9-yl)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol",NA,"C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O.[Na+]","BXJBFCKTIWRKMQ-UHFFFAOYSA-N",21189377,NA,"PDBC52004","143670","Present",NA,NA
+"52005","Pubchem_24181001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC3877",NA,"C1=CC=[N+](C=C1)C2C3=CC=CC=C3C(C4=CC=CC=C24)[N+]5=CC=CC=C5.[Br-]","SJXMUQGGLSLXCE-UHFFFAOYSA-M",24181001,NA,"PDBC52005","3877","Present",NA,NA
+"52006","Pubchem_24181093",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[4-(Carboxymethoxy)phenoxy]acetic acid",NA,"C1=CC(=CC=C1OCC(=O)O)OCC(=O)O.[Na+]","SSBYCKHLFJLRDJ-UHFFFAOYSA-N",24181093,NA,"PDBC52006","4681","Present",NA,NA
+"52007","Pubchem_24181416",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diphenyliodanium;2,4,6-trinitrophenol",NA,"C1=CC=C(C=C1)[I+]C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]","DIMWQKOJXMFPSG-UHFFFAOYSA-N",24181416,NA,"PDBC52007","8982","Present",NA,NA
+"52008","Pubchem_24182478",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17173",NA,"CCOC1=CC=C(C=C1)N=NS(=O)(=O)O.[Na+]","UTXQWFBEJVUFKF-UHFFFAOYSA-N",24182478,NA,"PDBC52008","17173","Present",NA,NA
+"52009","Pubchem_24190688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-[m-[2...",NA,"CC1(N=C(N=C(N1C2=CC(=CC=C2)OCCOC3=CC=C(C=C3)[N+](=O)[O-])N)N)C.[Cl-]","GXVAGNMAFXXMEQ-UHFFFAOYSA-M",24190688,NA,"PDBC52009","112535","Present",NA,NA
+"52010","Pubchem_54598723",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;benzyl(methyl)carbamodithioic acid",NA,"CN(CC1=CC=CC=C1)C(=S)S.[Na+]","VGUOGNQJDGNDNV-UHFFFAOYSA-N",54598723,NA,"PDBC52010","527036","Present",NA,NA
+"52011","Pubchem_54598981",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc;4-dodecylbenzenesulfonic acid",NA,"CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.[Zn+2]","CYIDGWNWGVLYDF-UHFFFAOYSA-N",54598981,NA,"PDBC52011","85536","Present",NA,NA
+"52012","Pubchem_54599399",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenesulfonic acid, 8-amino-5-[(4'-hydroxy [1, 1...",NA,"C1=CC(=CC=C1C2=CC=C(C=C2)O)N=NC3=C4C=CC(=CC4=C(C=C3)N)S(=O)(=O)O.[Na+]","IKGWSKUMUVVHGJ-UHFFFAOYSA-N",135422236,NA,"PDBC52012","65828","Present",NA,NA
+"52013","Pubchem_54599933",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonic acid, 5,5'-azoxybis[2-[2-[2-sulfo-4- [[4...",NA,"C1=CC(=CC=C1N=NC2=CC=C(C=C2)S(=O)(=O)O)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=[N+](C5=CC(=C(C=C5)C=CC6=C(C=C(C=C6)N=NC7=CC=C(C=C7)N=NC8=CC=C(C=C8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+]","NDZBKCLPIPGRBA-PVFPWCCWSA-N",54599933,NA,"PDBC52013","35612","Present",NA,NA
+"52014","Pubchem_54601357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC85521",NA,"C(CNC(=S)S)NC(=S)S.[Cu+2]","LPITVXZSYRHFAG-UHFFFAOYSA-N",54601357,NA,"PDBC52014","85521","Present",NA,NA
+"52015","Pubchem_54602459",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;4-[(4-fluorophenyl)diazenyl]-3-hydroxynaphthalene-2,7-disulfonic acid",NA,"C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)F.[Na+]","RPOHPYQEHKFTDR-UHFFFAOYSA-N",135421951,NA,"PDBC52015","45182","Present",NA,NA
+"52016","Pubchem_54603872",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;6-hydroxy-5-[(4-nitrophenyl)diazenyl]naphthalene-2-sulfonic acid",NA,"C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)[N+](=O)[O-].[Na+]","NGGSEWHRNXZYAN-UHFFFAOYSA-N",135421978,NA,"PDBC52016","45538","Present",NA,NA
+"52017","Pubchem_54603876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;8-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC4=C3C(=CC=C4)S(=O)(=O)O)O.[Na+]","GSTJKTDININAMT-UHFFFAOYSA-N",135422004,NA,"PDBC52017","45578","Present",NA,NA
+"52018","Pubchem_54603949",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenesulfonic acid, 5,5'-azoxybis[2-[4-[[2-methoxy-5- ...",NA,"CC1=CC(=C(C=C1N=NC2=CC(=CC=C2)S(=O)(=O)O)OC)N=NC3=CC=C(C=C3)C=CC4=C(C=C(C=C4)N=[N+](C5=CC(=C(C=C5)C=CC6=CC=C(C=C6)N=NC7=C(C=C(C(=C7)C)N=NC8=CC(=CC=C8)S(=O)(=O)O)OC)S(=O)(=O)O)[O-])S(=O)(=O)O.[Na+]","HWOUQVSYCMXAHR-NUNPXZCUSA-N",54603949,NA,"PDBC52018","35614","Present",NA,NA
+"52019","Pubchem_54604119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC109838",NA,"CC1(N=C(N=C(N1C2=CC=CC(=C2)C=CC=CC3=CC(=CC=C3)[N+](=O)[O-])N)N)C.[Cl-]","IMJWNYVSPLVKJU-UQXJJJGTSA-M",54604119,NA,"PDBC52019","109838","Present",NA,NA
+"52020","Pubchem_54604163",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Lithium;[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate",NA,"[Li+].C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O)F","ISDOCHGHOPLGIM-UHFFFAOYSA-N",54604163,NA,"PDBC52020","81206","Present",NA,NA
+"52021","Pubchem_54604547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-1,4-Oxaphosphorinium, 2,2'-methylenebis[4,4,6-triphen...",NA,"C1=CC=C(C=C1)C2=C[P+](C=C(O2)CC3=C[P+](C=C(O3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-]","JJSQJZWDWSRBEZ-UHFFFAOYSA-M",54604547,NA,"PDBC52021","339570","Present",NA,NA
+"52022","Pubchem_54604767",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenesulfonic acid, 6-hydroxy-5-[(2-chlorophenyl...",NA,"C1=CC=C(C(=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)Cl.[Na+]","KKWAPQYUMZLLCX-UHFFFAOYSA-N",135421976,NA,"PDBC52022","45534","Present",NA,NA
+"52023","Pubchem_54605179",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z)-3-(3-Nitrophenyl)-1-phenylprop-2-en-1-one;bromide",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-].[Br-]","QOVJTXXXOIQJDP-KVVVOXFISA-M",54605179,NA,"PDBC52023","39789","Present",NA,NA
+"52024","Pubchem_54605182",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;3-amino-4-chloro-9,10-dioxoanthracene-2-sulfonic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)Cl)N)S(=O)(=O)O.[Na+]","IAIZONCPSWPOJJ-UHFFFAOYSA-N",54605182,NA,"PDBC52024","39875","Present",NA,NA
+"52025","Pubchem_54605323",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenesulfonic acid, 8,8'-[1,2-ethenediylbis [(3-...",NA,"C1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)C=CC4=C(C=C(C=C4)N=NC5=C6C=C(C=CC6=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O.[Na+]","DJPPXUVCBBFOHF-SGSPRHBESA-N",54605323,NA,"PDBC52025","34933","Present",NA,NA
+"52026","Pubchem_54605511",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;4-[(6-bromo-2-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid",NA,"C1=CC(=CC=C1N=NC2=C(C=CC3=C2C=CC(=C3)Br)O)S(=O)(=O)O.[Na+]","OZPNAAURAHUYLX-UHFFFAOYSA-N",135421932,NA,"PDBC52026","37605","Present",NA,NA
+"52027","Pubchem_54605619",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;7-hydroxy-8-[(4-nitrophenyl)diazenyl]naphthalene-1,3-disulfonic acid",NA,"C1=CC(=CC=C1N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)O)[N+](=O)[O-].[Na+]","NEERSZDCTHRJKG-UHFFFAOYSA-N",135421979,NA,"PDBC52027","45539","Present",NA,NA
+"52028","Pubchem_54605624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;7-hydroxy-8-[(4-methylphenyl)diazenyl]naphthalene-1,3-disulfonic acid",NA,"CC1=CC=C(C=C1)N=NC2=C(C=CC3=CC(=CC(=C32)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","CHUHDIFTHJSSHO-UHFFFAOYSA-N",135421996,NA,"PDBC52028","45561","Present",NA,NA
+"52029","Pubchem_54606158",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC85759",NA,"CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O.[Cu+2]","SPXUXIMJBSYJNQ-UHFFFAOYSA-N",54606158,NA,"PDBC52029","85759","Present",NA,NA
+"52030","Pubchem_54608972",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aplysioviolin",NA,"CC=C1C(C(=O)N=C1C=C2C(=C(C(=CC3=C(C(=C(N3)CC4C(=C(C(=O)N4)C=C)C)C)CCC(=O)OC)N2)CCC(=O)O)C)C","QTKXLHIVFZPNBG-LODKBFLISA-N",54608972,NA,"PDBC52030","721295","Present",NA,NA
+"52031","Pubchem_54609176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;3-hydroxy-4-[(2-methoxyphenyl)diazenyl]naphthalene-2,7-disulfonic acid",NA,"COC1=CC=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","JYXYOGUSMHAASF-UHFFFAOYSA-N",135421959,NA,"PDBC52031","45196","Present",NA,NA
+"52032","Pubchem_54609602",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;4-[(3-chloro-1,4-dioxonaphthalen-2-yl)amino]benzenesulfonic acid",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)O.[Na+]","IAMWSTWHYJUUBZ-UHFFFAOYSA-N",54609602,NA,"PDBC52032","45738","Present",NA,NA
+"52033","Pubchem_54610326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bis(4-methoxyphenyl)iodanium;hydrobromide",NA,"COC1=CC=C(C=C1)[I+]C2=CC=C(C=C2)OC.Br","YDSNSDXMWRVLLI-UHFFFAOYSA-N",54610326,NA,"PDBC52033","141350","Present",NA,NA
+"52034","Pubchem_54611917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Calcium;3-hydroxy-4-[(4-methyl-2-sulfophenyl)diazenyl]naphthalene-2-carboxylic acid",NA,"CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)O)S(=O)(=O)O.[Ca+2]","PZTQVMXMKVTIRC-UHFFFAOYSA-N",135436504,NA,"PDBC52034","6132","Present",NA,NA
+"52035","Pulchellin C epoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pulchellin C epoxide",NA,"CC12CC3C(CC4(C1C(C(C2)O)O)CO4)OC(=O)C3=C","UNGQJGCLTPNFSH-UHFFFAOYSA-N",268944,NA,"PDBC52035","109436","Present",NA,NA
+"52036","Pulchelloside I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pulchelloside",NA,"CC1C2C(OC=C(C2(C(C1O)O)O)C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O","LGTHGFVYOAZGBN-NLGPCEMXSA-N",339057,NA,"PDBC52036","363977","Present",NA,NA
+"52037","Pulcherrimin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pulcherrimin E",NA,"CC1C2C(CC3=C1C=CO3)C4(CCC(C(C4(C(C2OC)OC(=O)C5=CC=CC=C5)O)(C)C(=O)O)OC(=O)C6=CC=CC=C6)C","HPZBZNRIQFDDIT-MPOKFLJKSA-N",24204173,NA,"PDBC52037","730813","Present",NA,NA
+"52038","Pungiolide-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pungiolide-A",NA,"C1CN(CCN1CCOCC2=CC(=CC=C2)C(F)(F)F)CC3=CC(=CC=C3)C(F)(F)F","UDKDJEBYTLAKEE-UHFFFAOYSA-N",353135,NA,"PDBC52038","600304","Present",NA,NA
+"52039","Purapuridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC178260///NSC179187",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C)NC1","KWVISVAMQJWJSZ-UHFFFAOYSA-N",5250,NA,"PDBC52039","178260///179187","Present",NA,NA
+"52040","Pure Blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pure blue",NA,"COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C3)C(=CC(=C4N)S(=O)(=O)O)S(=O)(=O)O)O)OC)N=NC5=C(C6=C(C=C5)C(=CC(=C6N)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","ORFSSYGWXNGVFB-UHFFFAOYSA-N",135422104,NA,"PDBC52040","9617","Present",NA,NA
+"52041","Purine riboside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"purinosine",NA,"C1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O","MRWXACSTFXYYMV-UHFFFAOYSA-N",248425,NA,"PDBC52041","65423","Present",NA,NA
+"52042","Purine, 2-amino-6-(O-nitrobenzylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Purine, 2-amino-6-(O-nitrobenzylthio)-",NA,"C1=CC=C(C(=C1)CSC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]","ZOPQOYFSTHMWDX-UHFFFAOYSA-N",3246141,NA,"PDBC52042","38737","Present",NA,NA
+"52043","Purine, 2-amino-6-(o-chlorobenzylthio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Purine, 2-amino-6-(o-chlorobenzylthio)-",NA,"C1=CC=C(C(=C1)CSC2=NC(=NC3=C2NC=N3)N)Cl","MVHWVJKYFYSMKP-UHFFFAOYSA-N",3616212,NA,"PDBC52043","36826","Present",NA,NA
+"52044","Purine, 2-amino-6-[5-bromo-2-(methylthio)-4-pyrimidinylthio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Purine, 2-amino-6-[5-bromo-2-(methylthio)-4-pyrimidinylt...",NA,"CSC1=NC=C(C(=N1)SC2=NC(=NC3=C2NC=N3)N)Br","OOYRDBYHTIMSRB-UHFFFAOYSA-N",4393482,NA,"PDBC52044","51562","Present",NA,NA
+"52045","Purine, 6-butylamino-2-methylthio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Butyl-2-(methylthio)-9H-purin-6-amine",NA,"CCCCNC1=NC(=NC2=C1NC=N2)SC","YEZACIOSMXFXIA-UHFFFAOYSA-N",517841,NA,"PDBC52045","29424","Present",NA,NA
+"52046","Purine,6,8-tris(hexylamino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Purine, 2,6,8-tris(hexylamino)-",NA,"CCCCCCNC1=NC(=NC2=C1NC(=N2)NCCCCCC)NCCCCCC","DXKYFAHADZYZQP-UHFFFAOYSA-N",3354028,NA,"PDBC52046","45828","Present",NA,NA
+"52047","Purine-6-thiol, ethyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Purine-6-thiol, ethyl carbonate",NA,"CCOC(=O)SC1=NC=NC2=C1NC=N2","KDZQFTVDTGVNCC-UHFFFAOYSA-N",580739,NA,"PDBC52047","69608","Present",NA,NA
+"52048","Purinyl-6-histamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purin-6-amine, N-[2-(1H-imidazol-4-yl)ethyl]- (9CI)",NA,"C1=C(NC=N1)CCNC2=NC=NC3=C2NC=N3","SOTQBOWAIHEECH-UHFFFAOYSA-N",74278,NA,"PDBC52048","113989","Present",NA,NA
+"52049","Purpureagitosid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Purpureagitosid",NA,"CC1C2C(CC3C2(CCC4C3CCC5C4(CC(C(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(C(O7)CO)O)OC8C(C(C(CO8)O)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)O)C)C)OC1(CCC(C)COC1C(C(C(C(O1)CO)O)O)O)O","PYVSHVUPVKOSBE-YYBGWXCUSA-N",401298,NA,"PDBC52049","714604","Present",NA,NA
+"52050","Purpurin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"purpurin",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O","BBNQQADTFFCFGB-UHFFFAOYSA-N",6683,NA,"PDBC52050","10447","Present",NA,NA
+"52051","Purpurogallin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Purpurogallin",NA,"C1=CC2=CC(=C(C(=C2C(=O)C(=C1)O)O)O)O","WDGFFVCWBZVLCE-UHFFFAOYSA-N",135403797,NA,"PDBC52051","35676","Present",NA,NA
+"52052","Pyrabrom",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bromth",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Br.CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2","XMOLCXIDFCGXAR-UHFFFAOYSA-N",11809,NA,"PDBC52052","14279","Present",NA,NA
+"52053","Pyramidilin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyramidilin",NA,"CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)OC6C(C(C(C(O6)CO)OC7C(C(C(CO7)O)O)O)O)O)C=O)O","YVUJBGBHENFTIJ-VOQNBIHJSA-N",155813511,NA,"PDBC52053","782803","Present",NA,NA
+"52054","Pyran-Br",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyran-Br",NA,"C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(C(=C(O4)N)C#N)C5=CC=C(C=C5)Br","RIOLKPLBBZLHAW-UHFFFAOYSA-N",406487,NA,"PDBC52054","724614","Present",NA,NA
+"52055","Pyrayafoline B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrayafoline B",NA,"CC1=CC2=C(C=C1O)NC3=C2C=C4C=CC(OC4=C3)(C)C","RUQHCCGMEXXSBD-UHFFFAOYSA-N",375149,NA,"PDBC52055","654283","Present",NA,NA
+"52056","Pyrazinamine, 3,5-di-1H-indol-3-yl-N,N-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazinamine, 3,5-di-1H-indol-3-yl-N,N-dimethyl-",NA,"CN(C)C1=NC=C(N=C1C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54","QUPTWIXAJUJZHE-UHFFFAOYSA-N",400426,NA,"PDBC52056","712005","Present",NA,NA
+"52057","Pyrazinamine,5,6-trichloro-N-1H-1,2,4-triazol-3-yl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazinamine, 3,5,6-trichloro-N-1H-1,2,4-triazol-3-yl-",NA,"C1=NNC(=N1)N=C2C(=NC(C(=N2)Cl)Cl)Cl","JILZUYHXUUGBAB-RZNTYIFUSA-N",54599687,NA,"PDBC52057","157053","Present",NA,NA
+"52058","Pyrazine carboxyethylenediamino isosampangine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-[(10-Oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]pyrazine-2-carboxamide",NA,"C1=CC=C2C(=C1)C3=C4C(=NC=C3)C(=CC(=O)C4=N2)NCCNC(=O)C5=NC=CN=C5","RBQLBPUVAQKGLZ-UHFFFAOYSA-N",46854493,NA,"PDBC52058","723390","Present",NA,NA
+"52059","Pyrazine, 2,2'-(o-chlorobenzylidenediimino)di-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanediamine, 1-(2-chlorophenyl)-N,N'-dipyrazinyl-",NA,"C1=CC=C(C(=C1)C(NC2=NC=CN=C2)NC3=NC=CN=C3)Cl","COJBKZKCFNWXGE-UHFFFAOYSA-N",100764,NA,"PDBC52059","362868","Present",NA,NA
+"52060","Pyrazine, 2-(1-pentofuranosyl-3-phenyl-1H-1,2,4-triazol-5-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-5-(3-phenyl-5-pyrazin-2-yl-1,2,4-triazol-1-yl)tetrahydrofuran-3,4-diol",NA,"C1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(O4)CO)O)O","QFNSOSQYPDYLPK-UHFFFAOYSA-N",375984,NA,"PDBC52060","656350","Present",NA,NA
+"52061","Pyrazine, 2-[1-hexopyranosyl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-6-[3-(4-methoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]oxane-3,4,5-triol",NA,"COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(C(O4)CO)O)O)O","KHMNDECJBPJRCH-UHFFFAOYSA-N",375982,NA,"PDBC52061","656348","Present",NA,NA
+"52062","Pyrazine, 2-[1-hexopyranosyl-3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-6-[3-(p-tolyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]tetrahydropyran-3,4,5-triol",NA,"CC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(C(O4)CO)O)O)O","XUNUVMRZAHDTRD-UHFFFAOYSA-N",375981,NA,"PDBC52062","656347","Present",NA,NA
+"52063","Pyrazine, 2-[3-(3-methoxyphenyl)-1-pentofuranosyl-1H-1,2,4-triazol-5-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-5-[3-(3-methoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]tetrahydrofuran-3,4-diol",NA,"COC1=CC=CC(=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(O4)CO)O)O","BVGMWMNHVBJEKV-UHFFFAOYSA-N",375986,NA,"PDBC52063","656352","Present",NA,NA
+"52064","Pyrazine, 2-[3-(4-methoxyphenyl)-1-(phenylmethyl)-1H-1,2,4-triazol-5-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazine, 2-[3-(4-methoxyphenyl)-1-(phenylmethyl)-1H-1,2,4-triazol-5-yl]-",NA,"COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)CC4=CC=CC=C4","ZLVVKQSKGPHZJX-UHFFFAOYSA-N",375975,NA,"PDBC52064","656341","Present",NA,NA
+"52065","Pyrazine, 2-[3-(4-methoxyphenyl)-1-pentofuranosyl-1H-1,2,4-triazol-5-yl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Hydroxymethyl)-5-[3-(4-methoxyphenyl)-5-pyrazin-2-yl-1,2,4-triazol-1-yl]tetrahydrofuran-3,4-diol",NA,"COC1=CC=C(C=C1)C2=NN(C(=N2)C3=NC=CN=C3)C4C(C(C(O4)CO)O)O","MAXJUEAKWIHQBA-UHFFFAOYSA-N",375985,NA,"PDBC52065","656351","Present",NA,NA
+"52066","Pyrazineamine, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PYRAZINE DIAZOHYDROXIDE",NA,"C1=CN=C(C=N1)NN=O.[Na+]","ITIRENQGPSHVEU-UHFFFAOYSA-N",21115184,NA,"PDBC52066","361456","Present",NA,NA
+"52067","Pyrazinecarbonitrile, 3-chloro-5-(dichloromethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazinecarbonitrile, 3-chloro-5-(dichloromethyl)-",NA,"C1=C(N=C(C(=N1)C#N)Cl)C(Cl)Cl","GYBZCEWRLOKTNT-UHFFFAOYSA-N",296636,NA,"PDBC52067","167063","Present",NA,NA
+"52068","Pyrazino[1,2-a]benzimidazole, 3-(4-chlorophenyl)-1-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazino[1,2-a]benzimidazole, 3-(4-chlorophenyl)-1-methyl-",NA,"CC1=NC(=CN2C1=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl","DXWQHDWBGAZUQA-UHFFFAOYSA-N",384470,NA,"PDBC52068","674272","Present",NA,NA
+"52069","Pyrazino[2,3-b]quinolin-10-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazino[2,3-b]quinolin-10-amine",NA,"C1=CC=C2C(=C1)C(=C3C(=N2)N=CC=N3)N","VUYGZHXOMBSURO-UHFFFAOYSA-N",374034,NA,"PDBC52069","651213","Present",NA,NA
+"52070","Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetramine",NA,"C1=C2C(=CC3=C1N=C(C(=N3)N)N)N=C(C(=N2)N)N","XNZLTAGZYFEYRE-UHFFFAOYSA-N",381315,NA,"PDBC52070","667757","Present",NA,NA
+"52071","Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazino[2,3-g]quinoxaline-2,3,7,8-tetrol",NA,"C1=C2C(=CC3=C1NC(=O)C(=O)N3)NC(=O)C(=O)N2","GPINHNZRWIWEAC-UHFFFAOYSA-N",381312,NA,"PDBC52071","667751","Present",NA,NA
+"52072","Pyrazol-F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazol-F",NA,"C1COC2=C(C=CC3=CC=CC=C32)C4=NN(C(C41)C5=CC=C(C=C5)F)C6=CC=CC=C6","LHEARDLBBOOTJF-UHFFFAOYSA-N",406270,NA,"PDBC52072","724322","Present",NA,NA
+"52073","Pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PYRAZOLE",NA,"C1=CNN=C1","WTKZEGDFNFYCGP-UHFFFAOYSA-N",1048,NA,"PDBC52073","45410","Present",NA,NA
+"52074","Pyrazole-4-carboxamide, 3-[3-(2-hydroxyethyl)-3-methyl-1-triazeno]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazole-4-carboxamide, 3-[3-(2-hydroxyethyl)-3-methyl-1...",NA,"CN(CCO)N=NC1=C(C=NN1)C(=O)N","KNUVBPMGQSKRFH-VAWYXSNFSA-N",135545670,NA,"PDBC52074","133729","Present",NA,NA
+"52075","Pyrazolo[1,5-a]pyrimidin-2-amine, 5,7-bis(dibromomethyl)-3-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazolo[1,5-a]pyrimidin-2-amine, 5,7-bis(dibromomethyl)...",NA,"C1=C(N2C(=C(C(=N2)N)[N+](=O)[O-])N=C1C(Br)Br)C(Br)Br","SYYOLGWYVLQITD-UHFFFAOYSA-N",384486,NA,"PDBC52075","674312","Present",NA,NA
+"52076","Pyrazolo[1,5-b]pyridazine deriv. 22",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW805758X",NA,"CC(C)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3","UODXTGBFBIFREQ-UHFFFAOYSA-N",6539364,NA,"PDBC52076","756364","Present",NA,NA
+"52077","Pyrazolo[1,5-b]pyridazine deriv. 40",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW811761X",NA,"CCOC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C(F)(F)F)C=C1","WNKSRDBBYKDORB-UHFFFAOYSA-N",6539382,NA,"PDBC52077","756375","Present",NA,NA
+"52078","Pyrazolo[1,5-b]pyridazine deriv. 43",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW810372X",NA,"COC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC(=CC=C4)OC(F)(F)F)C=C1","IXSZNCPQZGGHKB-UHFFFAOYSA-N",6539385,NA,"PDBC52078","756372","Present",NA,NA
+"52079","Pyrazolo[1,5-b]pyridazine deriv. 48",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW807982X",NA,"CCOC1=NN2C(=C(C=N2)C3=NC(=NC=C3)NC4=CC(=CC(=C4)C(F)(F)F)OC)C=C1","FXUBIYKZSFWJQZ-UHFFFAOYSA-N",6539390,NA,"PDBC52079","756369","Present",NA,NA
+"52080","Pyrazolo[1,5-b]pyridazine deriv. 55",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW819077X",NA,"C1=CC=C(C=C1)C2=NN3C(=C(C=N3)C4=NC(=NC=C4)NC5=CC=CC(=C5)C(F)(F)F)C=C2","WZYFWJBVNQRGCX-UHFFFAOYSA-N",6539397,NA,"PDBC52080","756380","Present",NA,NA
+"52081","Pyrazolo[1,5-b]pyridazine deriv. 97",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW832467X",NA,"CC1=NN2C(=C(C(=N2)C3=CC=C(C=C3)C(F)(F)F)C4=NC(=NC=C4)NC5=CC6=C(C=C5)OCCO6)C=C1","JLEUOCWABWBHQW-UHFFFAOYSA-N",6539439,NA,"PDBC52081","756401","Present",NA,NA
+"52082","Pyrazolo[3,4-b]pyridine analogue 37",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-739245-AC",NA,"CCN1CCC(CC1)CC(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=CS4","GHOXGYVOJHFBKS-UHFFFAOYSA-N",6539614,NA,"PDBC52082","756480","Present",NA,NA
+"52083","Pyrazolo[3,4-d][1,3]thiazin-6(1H)-imine, 4,7-dihydro-3-methyl-4-(4-nitrophenyl)-1-(phenylacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d]thiazin-6-amine, 3-methyl-4- (4-nitrop...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)CC4=CC=CC=C4","UIWGFTMBLUGWKZ-UHFFFAOYSA-N",376459,NA,"PDBC52083","657373","Present",NA,NA
+"52084","Pyrazolo[3,4-d][1,3]thiazin-6(1H)-imine, 4-(4-chlorophenyl)-4,7-dihydro-3-methyl-1-(phenylacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4H-Pyrazolo[3,4-d][1,3]thiazin-6-amine, 4-(4-chloro phen...",NA,"CC1=NN(C2=C1C(SC(=N2)N)C3=CC=C(C=C3)Cl)C(=O)CC4=CC=CC=C4","LIVCFUJUIVQBNZ-UHFFFAOYSA-N",376458,NA,"PDBC52084","657372","Present",NA,NA
+"52085","Pyrazolo[4,3-h]quinazoline-3-carboxamide, 29",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774830",NA,"CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC(=CC=C4)N5CCN(CC5)C)C","WXCBCOGGWQFFHG-UHFFFAOYSA-N",44236107,NA,"PDBC52085","774830","Present",NA,NA
+"52086","Pyrazoloacridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PYRAZOLOACRIDINE///NSC627168",NA,"CN(C)CCCN1C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=N1)C=C(C=C4)OC","HZCWPKGYTCJSEB-UHFFFAOYSA-N",339455,NA,"PDBC52086","366140///627168","Present",NA,NA
+"52087","Pyrazoloamine deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrazoloamine deriv",NA,"CC1=CC2=C(C=C1)C(=C3C(=NN(C3=N2)C)C)NCCCN(C)C.Cl","ZBYIZASPCAXIFS-UHFFFAOYSA-N",54606894,NA,"PDBC52087","178827","Present",NA,NA
+"52088","Pyrazolopyridazine 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW810576X",NA,"COC1=CC=CC(=C1)NC2=NC=CC(=N2)C3=C4C=CC=NN4N=C3","GBNWWXHUOVAUHT-UHFFFAOYSA-N",6539361,NA,"PDBC52088","756373","Present",NA,NA
+"52089","Pyrazolopyridazine deriv. 13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-678557-A",NA,"CN1CCC(CC1)C(=O)NC2=NNC3=NN=C(C=C32)C4=CC=CC=C4","DSHMUQCEERJXOA-UHFFFAOYSA-N",6539558,NA,"PDBC52089","756463","Present",NA,NA
+"52090","Pyrazolopyridazine deriv. 16",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-675259-M",NA,"C1CC1C(=O)NC2=NNC3=NN=C(C=C32)C4=CN=CC=C4","AGSPQSKJPUNTNL-UHFFFAOYSA-N",6539561,NA,"PDBC52090","756462","Present",NA,NA
+"52091","Pyrazolopyrimidine 2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW811168X",NA,"COC1=CC=CC(=C1)N2C3=NC=NC(=C3C=N2)NN=CC4=CC=C(C=C4)S(=O)(=O)C","WKJFLAJZSWRICW-FOKLQQMPSA-N",9604948,NA,"PDBC52091","756374","Present",NA,NA
+"52092","Pyrazomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrazofurin",NA,"C(C1C(C(C(O1)C2=NNC(=C2O)C(=O)N)O)O)O","XESARGFCSKSFID-UHFFFAOYSA-N",135447984,NA,"PDBC52092","143095","Present",NA,NA
+"52093","Pyridazin-3(2H)-one,1-dibromo-2-oxopropyl)-5-(4-methoxyphenoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridazin-3(2H)-one, 4-bromo-2-(1,1-dibromo-2-oxopropyl)...",NA,"CC(=O)C(N1C(=O)C(=C(C=N1)OC2=CC=C(C=C2)OC)Br)(Br)Br","JUBVGAJBDTUOTF-UHFFFAOYSA-N",399178,NA,"PDBC52093","709748","Present",NA,NA
+"52094","Pyridin-2-yl 6-(chloromethyl)-2-oxochromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Chloromethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid 2-pyridyl ester",NA,"C1=CC=NC(=C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","SCFXEDNQUIBVKD-UHFFFAOYSA-N",402507,NA,"PDBC52094","716533","Present",NA,NA
+"52095","Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]benzoate",NA,"C1=CC=C(C(=C1)C(=O)OC2=CN=CC=C2)NC3=CC(=NC=C3)C(F)(F)F","ODJBYXFDCRGEQH-UHFFFAOYSA-N",11279826,NA,"PDBC52095","726671","Present",NA,NA
+"52096","Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]pyridine-3-carboxylate",NA,"C1=CC(=CN=C1)OC(=O)C2=C(N=CC=C2)NC3=CC(=NC=C3)C(F)(F)F","MIPNSULCEZNCNG-UHFFFAOYSA-N",11617441,NA,"PDBC52096","733465","Present",NA,NA
+"52097","Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]thiophene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridin-3-yl 2-[[2-(trifluoromethyl)pyridin-4-yl]amino]thiophene-3-carboxylate",NA,"C1=CC(=CN=C1)OC(=O)C2=C(SC=C2)NC3=CC(=NC=C3)C(F)(F)F","LKBVJJVVXYYXTA-UHFFFAOYSA-N",60148085,NA,"PDBC52097","753598","Present",NA,NA
+"52098","Pyridin-3-yl 6-(chloromethyl)-2-oxochromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(Chloromethyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid 3-pyridyl ester",NA,"C1=CC(=CN=C1)OC(=O)C2=CC3=C(C=CC(=C3)CCl)OC2=O","VUCZSKPOHXLFKP-UHFFFAOYSA-N",402505,NA,"PDBC52098","716531","Present",NA,NA
+"52099","Pyridindolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PYRIDINDOLOL",NA,"C1=CC=C2C(=C1)C3=C(N2)C(=NC(=C3)CO)C(CO)O","VAKXHGQDPLEUTH-UHFFFAOYSA-N",5358591,NA,"PDBC52099","266530","Present",NA,NA
+"52100","Pyridine hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC620577",NA,"C1=CC=NC=C1.Br","BBFCIBZLAVOLCF-UHFFFAOYSA-N",87810,NA,"PDBC52100","620577","Present",NA,NA
+"52101","Pyridine, 2,2'-(2,5-di-2-thienyl-1H-pyrrole-3,4-diyl)bis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Bis(2-thienyl)-3,4-bis(2-pyridinyl)-1H-pyrrole",NA,"C1=CC=NC(=C1)C2=C(NC(=C2C3=CC=CC=N3)C4=CC=CS4)C5=CC=CS5","AARQLDYBNOOQDG-UHFFFAOYSA-N",380634,NA,"PDBC52101","666309","Present",NA,NA
+"52102","Pyridine, 2-(p-chlorostyryl)-4-((4-(diethylamino)-1-methylbutyl)amino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 2-(p-chlorostyryl)-4-[[4-(diethylamino)-1-meth...",NA,"CCN(CC)CCCC(C)NC1=CC(=NC=C1)C=CC2=CC=C(C=C2)Cl","FIDFDSHBKIWNIN-JLHYYAGUSA-N",5351244,NA,"PDBC52102","157389","Present",NA,NA
+"52103","Pyridine, 3-[[4-[bis(2-chloroethyl)amino]-2-methylbenzylidene]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 3-[[4-[bis(2-chloroethyl)amino]-2-methylbenzyl...",NA,"CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CN=CC=C2","CHMHREPQHIKYOA-UHFFFAOYSA-N",242100,NA,"PDBC52103","50273","Present",NA,NA
+"52104","Pyridine, 4-(2-(phenylthio)ethyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 4-[2-(phenylthio)ethyl]-, hydrochloride (8CI)",NA,"C1=CC=C(C=C1)SCCC2=CC=NC=C2.Cl","WKFNXURMDAVCKV-UHFFFAOYSA-N",88778,NA,"PDBC52104","17776","Present",NA,NA
+"52105","Pyridine, 4-(5-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-4-methyl-1,3,4-oxadiazol-2-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 4-(5-(3-fluoro-4-methoxyphenyl)-4,5-dihydro-4-methyl-1,3,4-oxadiazol-2-yl)-",NA,"CN1C(OC(=N1)C2=CC=NC=C2)C3=CC(=C(C=C3)OC)F","OLGDESGVPRPAQJ-UHFFFAOYSA-N",382364,NA,"PDBC52105","669834","Present",NA,NA
+"52106","Pyridine, 4-(p-(dimethylamino)phenylazo)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenamine, N,N-dimethyl-4-(4-pyridinylazo)- (9CI)",NA,"CN(C)C1=CC=C(C=C1)N=NC2=CC=NC=C2","FUVJXDPEJMGTFG-UHFFFAOYSA-N",98843,NA,"PDBC52106","170600","Present",NA,NA
+"52107","Pyridine, 4-[2-(1-piperidinyl)ethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 4-[2-(1-piperidinyl)ethyl]- (9CI)",NA,"C1CCN(CC1)CCC2=CC=NC=C2","ICBUOQBBEUSCAJ-UHFFFAOYSA-N",83476,NA,"PDBC52107","163398","Present",NA,NA
+"52108","Pyridine,3-dimethyl-1-triazenyl)-2,3-dimethyl-, 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine, 4-(3,3-dimethyl-1-triazenyl)-2,3-dimethyl-, 1-...",NA,"CC1=C(C=C[N+](=C1C)[O-])N=NN(C)C","FZLNNOSUGLWXDB-UHFFFAOYSA-N",3758846,NA,"PDBC52108","255095","Present",NA,NA
+"52109","Pyridine-2,4,6-tricarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4,6-Pyridinetricarboxylic acid",NA,"C1=C(C=C(N=C1C(=O)O)C(=O)O)C(=O)O","CHGYKYXGIWNSCD-UHFFFAOYSA-N",345552,NA,"PDBC52109","403251","Present",NA,NA
+"52110","Pyridine-2-carboxaldehyde, 3-hydroxy-, thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-HP",NA,"C1=CC(=C(N=C1)C=NNC(=S)N)O","ISFBDLBZPVCEKD-ONNFQVAWSA-N",135429832,NA,"PDBC52110","95678","Present",NA,NA
+"52111","Pyridine-3,5-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dinicotinic acid",NA,"C1=C(C=NC=C1C(=O)O)C(=O)O","MPFLRYZEEAQMLQ-UHFFFAOYSA-N",10366,NA,"PDBC52111","6497","Present",NA,NA
+"52112","Pyridine-4-Cl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine-4-Cl",NA,"C1C2=C(C(=C(N=C2C3=C(O1)C=CC(=C3)F)N)C#N)C4=CC=C(C=C4)Cl","IOOHXBGSKFRSQT-UHFFFAOYSA-N",11515859,NA,"PDBC52112","729302","Present",NA,NA
+"52113","Pyridine-4-methanol, monophosphate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine-4-methanol, .alpha.-(2-piperidyl)-2-(trifluoro ...",NA,"C1CCNC(C1)C(C2=CC(=NC(=C2)C(F)(F)F)C3=CC=C(C=C3)C(F)(F)F)O.OP(=O)(O)O","YCAFBJQXADKUSD-UHFFFAOYSA-N",328146,NA,"PDBC52113","305800","Present",NA,NA
+"52114","Pyridine;2-pyridin-1-ium-1-ylacetate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC164892",NA,"C1=CC=NC=C1.C1=CC=[N+](C=C1)CC(=O)[O-].Cl","RRMUPIWOUXZEAT-UHFFFAOYSA-N",24194152,NA,"PDBC52114","164892","Present",NA,NA
+"52115","Pyridinium, 1-(cyanoboryl)-4-[[2-(2,2,2-trifluoroethyl)hydrazino]carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium, 1-(cyanoboryl)-4-[[2-(2,2,2-trifluoroethyl)hydrazino]carbonyl]-",NA,NA,NA,NA,NA,"PDBC52115","676927","Present",NA,NA
+"52116","Pyridinium, 1-(cyanoboryl)-4-[[2-(phenylmethyl)hydrazino]carbonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium, 1-(cyanoboryl)-4-[[2-(phenylmethyl)hydrazino]carbonyl]-",NA,NA,NA,NA,NA,"PDBC52116","697117","Present",NA,NA
+"52117","Pyridinium, 1-[2-[(2E)-2-[1-[(3-hydroxy-6-nitro-2-quinoxalinyl)methyl]-2-oxo-2-[(2,4,5-trichlorophenyl)amino]ethylidene]hydrazino]-2-oxoethyl]-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2E)-3-(6-Nitro-3-oxo-4H-quinoxalin-2-yl)-2-[(2-pyridin-1-ium-1-ylacetyl)hydrazinylidene]-N-(2,4,5-trichlorophenyl)propanamide;chloride",NA,"C1=CC=[N+](C=C1)CC(=O)NN=C(CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)C(=O)NC4=CC(=C(C=C4Cl)Cl)Cl.[Cl-]","NJRYGWDDLCWIIQ-UHFFFAOYSA-N",9571775,NA,"PDBC52117","649584","Present",NA,NA
+"52118","Pyridinium, 4-(4-methoxyphenyl)-1-(4-methylphenyl)- 2,6-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium, 4-(4-methoxyphenyl)-1-(4-methylphenyl)- 2,6-...",NA,NA,NA,NA,NA,"PDBC52118","617743","Present",NA,NA
+"52119","Pyridinium,3'-(bicyclo[2.2.2]octane-1,4-diylbis(carbonylimino-4,1-phenylenecarbonylimino))bis(1-methyl-, salt with 4-methyl-benzenesulfonic acid (1:2)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium, 3,3'-(bicyclo[2.2.2]octane-1,4-diylbis(carbo...",NA,"CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C34CCC(CC3)(CC4)C(=O)NC5=CC=C(C=C5)C(=O)NC6=C[N+](=CC=C6)C","ZYVMSEBOQYNDFF-UHFFFAOYSA-O",54607338,NA,"PDBC52119","263663","Present",NA,NA
+"52120","Pyridinium,3-benzodioxol-5-yl)ethenyl]-1-methyl-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium, 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-1-methyl...",NA,"C[N+]1=CC=CC=C1C=CC2=CC3=C(C=C2)OCO3.[I-]","YHMFHCXWXICWQW-GZOLSCHFSA-M",14513517,NA,"PDBC52120","166430","Present",NA,NA
+"52121","Pyridinium-[carbonyltetrachloropyridineruthenate(III)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridinium-[carbonyltetrachloropyridineruthenate(III)]",NA,NA,NA,NA,NA,"PDBC52121","631483","Present",NA,NA
+"52122","Pyridino(1,2-a)imidazo(5,4-b)indole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-Piid",NA,"C1=CC=C2C(=C1)C3=C(N2)N4C=CC=CC4=N3","PFKQNBQQGPVKNR-UHFFFAOYSA-N",100767,NA,"PDBC52122","363438","Present",NA,NA
+"52123","Pyrido(4',3':4,5)imidazo(1,2-c)(1,2,3)benzotriazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[4',3':4,5]imidazo[1,2-c][1,2,3]benzotriazine",NA,"C1=CC=C2C(=C1)C3=NC4=C(N3N=N2)C=NC=C4","DGKJAQSECLEWLA-UHFFFAOYSA-N",278806,NA,"PDBC52123","128734","Present",NA,NA
+"52124","Pyrido[1,2-a]benzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[1,2-a]benzimidazole",NA,"C1=CC=C2C(=C1)N=C3N2C=CC=C3","FODVQKYUAIWTKY-UHFFFAOYSA-N",378348,NA,"PDBC52124","660430","Present",NA,NA
+"52125","Pyrido[2',5]pyrimido[1,2-a]indole-5,11-dione, 9-(3,6,9,12-tetraoxatridec-1-yloxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[2',3':4,5]pyrimido[1,2-a]indole-5,11-dione, 9-(3,...",NA,"COCCOCCOCCOCCOC1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=CC=N4)C2=O","WZEKKKDZKOCTGU-UHFFFAOYSA-N",45028403,NA,"PDBC52125","742553","Present",NA,NA
+"52126","Pyrido[2,3-d]pyrimidine-6-carbonitrile, 4-amino-7-(1-pyrrolidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[2,3-d]pyrimidine-6-carbonitrile, 4-amino-7-(1-pyrrolidinyl)-",NA,"C1CCN(C1)C2=NC3=NC=NC(=C3C=C2C#N)N","SEBLPEDGWOYJLM-UHFFFAOYSA-N",382724,NA,"PDBC52126","670395","Present",NA,NA
+"52127","Pyrido[2,4-diamine, 6-[[(2,3,4-trichlorophenyl)amino]methyl]-5-methyl-, 1/4 acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(2,3,4- trichlo...",NA,"CC1=C2C(=NC(=NC2=NC=C1CNC3=C(C(=C(C=C3)Cl)Cl)Cl)N)N.CC(=O)O","ZJXQEVDAMMVQNX-UHFFFAOYSA-N",380970,NA,"PDBC52127","666787","Present",NA,NA
+"52128","Pyrido[2,4-diamine, 6-[[(4-methoxy-phenyl)amino]methyl]-5-methyl-, 3/5 methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[2,3-d]pyrimidine-2,4-diamine, 6-[[(4-methoxy- phe...",NA,"CC1=C2C(=NC(=NC2=NC=C1CNC3=CC=C(C=C3)OC)N)N.CO","OUZPNTYSZYNISU-UHFFFAOYSA-N",380968,NA,"PDBC52128","666783","Present",NA,NA
+"52129","Pyrido[3'',5']pyrrolo[2',3':5,6]pyrido[3,4-b]indole, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[3'',2'':4',5']pyrrolo[2',3':5,6]pyrido[3,4-b]indo...",NA,"C1=CC=C2C(=C1)C3=C4C(=NC=C3N2)C5=C(N4)N=CC=C5.Cl","TUPKOVDLKUIMSS-UHFFFAOYSA-N",362409,NA,"PDBC52129","626175","Present",NA,NA
+"52130","Pyrido[4',3':4,5]pyrimido[1,2-a]indole-6,12-dione, 8-(2-octyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[4',3':4,5]pyrimido[1,2-a]indole-6,12-dione, 8-(2-...",NA,"CCCCCCC(C)C1=CC2=C(C=C1)N3C(=NC4=C(C3=O)C=NC=C4)C2=O","MWVLTABHKRFJTM-UHFFFAOYSA-N",391213,NA,"PDBC52130","690073","Present",NA,NA
+"52131","Pyrido[4',3':5,6]azepino[3,2,1-kl]phenothiazin-15(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrido[4',3':5,6]azepino[3,2,1-kl]phenothiazin-15(5H)-one",NA,"C1C2=C3C(=CC=C2)SC4=CC=CC=C4N3C(=O)C5=C1C=CN=C5","AFURCCGPBRWDMB-UHFFFAOYSA-N",373415,NA,"PDBC52131","649675","Present",NA,NA
+"52132","Pyridoclax",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyridoclax",NA,"CC1=CC(=CN=C1C2=CN=CC=C2)C3=C(C=C(C=N3)C4=CN=CC=C4)C=CC5=CC=CC=C5","WGGSYXQFYRWBEC-VAWYXSNFSA-N",92042827,NA,"PDBC52132","783916","Present",NA,NA
+"52133","Pyridone 6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JAK Inhibitor I",NA,NA,NA,NA,NA,NA,5494425,NA,"PDBC52133",NA,"Absent",NA,NA
+"52134","Pyridone-4-CH3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridone-4-CH3",NA,"CC1=CC=C(C=C1)C2=C(C(=O)NC3=C2COC4=C3C=C(C=C4)F)C#N","MOTPMZYLWZXSAG-UHFFFAOYSA-N",11530049,NA,"PDBC52134","729297","Present",NA,NA
+"52135","Pyridone-F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridone-F",NA,"C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(C(C(=O)N4)C#N)C5=CC=C(C=C5)F","LSXSWTJDXWXHHY-UHFFFAOYSA-N",406272,NA,"PDBC52135","724324","Present",NA,NA
+"52136","Pyridone-OCH3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridone-OCH3",NA,"COC1=CC=C(C=C1)C2C(C(=O)NC3=C2CCOC4=C3C=CC5=CC=CC=C54)C#N","ANROXNGNZMQLSE-UHFFFAOYSA-N",406273,NA,"PDBC52136","724325","Present",NA,NA
+"52137","Pyridone-triOCH3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridone-triOCH3",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(=O)NC3=C2CCOC4=C3C=CC5=CC=CC=C54)C#N","HQCRZXNIWBQGSF-UHFFFAOYSA-N",406274,NA,"PDBC52137","724326","Present",NA,NA
+"52138","Pyridostigmine bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridostigmine bromide",NA,"C[N+]1=CC=CC(=C1)OC(=O)N(C)C.[Br-]","VNYBTNPBYXSMOO-UHFFFAOYSA-M",7550,NA,"PDBC52138","679759","Present",NA,NA
+"52139","Pyridovericin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridovericin",NA,"CCC(CO)C=C(C)C=CC(=O)C1=C(C(=CNC1=O)C2=CC=C(C=C2)O)O","RZNMCGWGYUMEOL-HTKXOECOSA-N",54697562,NA,"PDBC52139","753974","Present",NA,NA
+"52140","Pyridoxamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridoxamine dichlorohydrate",NA,"CC1=NC=C(C(=C1O)CN)CO.Cl","PFIPZKASKUWLHH-UHFFFAOYSA-N",216452,NA,"PDBC52140","21278","Present",NA,NA
+"52141","Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-",NA,"COC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N)O","GLDFNTGFJVLYJO-UHFFFAOYSA-N",386505,NA,"PDBC52141","678880","Present",NA,NA
+"52142","Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-phenyl-N-(phenylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidin-2-amine, 4-(2-hydroxy-4-methoxyphenyl)-6-pheny...",NA,"COC1=CC(=C(C=C1)C2=NC(=NC(=C2)C3=CC=CC=C3)N=CC4=CC=CC=C4)O","MYTFQVYDIFUCFS-XYGWBWBKSA-N",135509206,NA,"PDBC52142","678882","Present",NA,NA
+"52143","Pyrimidin-2-amine, 4-(5-chloro-2-hydroxyphenyl)-6-phenyl-N-(phenylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidin-2-amine, 4-(5-chloro-2-hydroxyphenyl)-6-phenyl...",NA,"C1=CC=C(C=C1)C=NC2=NC(=CC(=N2)C3=C(C=CC(=C3)Cl)O)C4=CC=CC=C4","USNSTUWNPYHROR-MFKUBSTISA-N",135509207,NA,"PDBC52143","678883","Present",NA,NA
+"52144","Pyrimidine, 2,2'-(o-chlorobenzylidenediimino)di-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-134899",NA,"C1=CC=C(C(=C1)C(NC2=NC=CC=N2)NC3=NC=CC=N3)Cl","KSFDBUHAYBQMJP-UHFFFAOYSA-N",100181,NA,"PDBC52144","357650","Present",NA,NA
+"52145","Pyrimidine, 2,4,5-trichloro-6-isopropyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2,4,5-trichloro-6-isopropyl-",NA,"CC(C)C1=C(C(=NC(=N1)Cl)Cl)Cl","LIMLIYISTWYZKT-UHFFFAOYSA-N",246017,NA,"PDBC52145","58575","Present",NA,NA
+"52146","Pyrimidine, 2,4,6-trichloro-5-pentyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2,4,6-trichloro-5-pentyl-",NA,"CCCCCC1=C(N=C(N=C1Cl)Cl)Cl","ODIFFIIRIFKTLN-UHFFFAOYSA-N",260783,NA,"PDBC52146","92497","Present",NA,NA
+"52147","Pyrimidine, 2-((2,4-dinitrophenyl)thio)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2-((2,4-dinitrophenyl)thio)-",NA,"C1=CN=C(N=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","UDWLPPBHVNQRBL-UHFFFAOYSA-N",163121,NA,"PDBC52147","302584","Present",NA,NA
+"52148","Pyrimidine, 2-amino-4-(p-iodoanilino)-6-(methylamino)-5-nitroso-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2-amino-4-(p-iodoanilino)-6-(methylamino)-5-...",NA,"CNC1=C(C(=NC(=N1)N)NC2=CC=C(C=C2)I)N=O","QCQZJSPCMYXMAZ-UHFFFAOYSA-N",251709,NA,"PDBC52148","72369","Present",NA,NA
+"52149","Pyrimidine, 4-amino-2,6-dibenzyl-5-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YYHHGERFHBNSHG-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)CC2=C(C(=NC(=N2)CC3=CC=CC=C3)N)C4=CC=CC=C4","YYHHGERFHBNSHG-UHFFFAOYSA-N",412805,NA,"PDBC52149","41663","Present",NA,NA
+"52150","Pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(2,4-dichlorophenylaminomethylene)-1,3-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Dimethyl-5-(2,4-dichloro-phenylaminomethylene-barbit...",NA,"CN1C(=C(C(=O)N(C1=O)C)C=NC2=C(C=C(C=C2)Cl)Cl)O","CLQJZUKORANXET-UHFFFAOYSA-N",387477,NA,"PDBC52150","681280","Present",NA,NA
+"52151","Pyrimidine-2-amine, 5-chloro-6-(2-hydroxy-5-chlorophenyl)-4-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine-2-amine, 5-chloro-6-(2-hydroxy-5-chlorophenyl...",NA,"C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)C3=C(C=CC(=C3)Cl)O)Cl","ASVMCLHZCMJDDQ-UHFFFAOYSA-N",359847,NA,"PDBC52151","621457","Present",NA,NA
+"52152","Pyrimidineacetaldehyde derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidineacetaldehyde derivative",NA,"C1=C(C(=O)NC(=O)N1)C(C=O)OC(CO)C=O","PWWIIFIZPARHSJ-CAHLUQPWSA-N",5358942,NA,"PDBC52152","291643","Present",NA,NA
+"52153","Pyrimido[4',5':4,5][1,3]thiazolo[3,2-a]benzimidazol-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Thia-1,3,5,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2,4,6,9,11,13,15-heptaen-6-amine",NA,"C1=CC=C2C(=C1)N=C3N2C4=NC=NC(=C4S3)N","OJXSBPHOWSWSAT-UHFFFAOYSA-N",392242,NA,"PDBC52153","692378","Present",NA,NA
+"52154","Pyrimido[4',5':4,5]thiazolo[3,2-a]benzimidazol-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimido[4',5':4,5]thiazolo[3,2-a]benzimidazol-4(3H)-one",NA,"C1=CC=C2C(=C1)N=C3N2C4=C(S3)C(=O)NC=N4","GCPRYDQCUMYEBC-UHFFFAOYSA-N",135489896,NA,"PDBC52154","692379","Present",NA,NA
+"52155","Pyrimido[4,4-diamine, 7-(2,5-dimethoxyphenyl)-6,7,8,9-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimido[4,5-b]quinoline-2,4-diamine, 7-(2,5-dimethoxyph...",NA,"COC1=CC(=C(C=C1)OC)C2CCC3=NC4=NC(=NC(=C4C=C3C2)N)N","QJVOFYKQGZCPMC-UHFFFAOYSA-N",401167,NA,"PDBC52155","714363","Present",NA,NA
+"52156","Pyrimine, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimine, dihydrochloride",NA,"C1=CC=NC(=C1)C(=O)CCC(C(=O)O)N.Cl","CWDKREOVXKFQSU-UHFFFAOYSA-N",54606744,NA,"PDBC52156","144227","Present",NA,NA
+"52157","Pyrizinostatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrizinostatin",NA,"CC(=O)CC12C(=NN(C(=O)N1)C)N(C(=O)N(C2=O)C)C","HUZNODILVCXFIG-UHFFFAOYSA-N",127007,NA,"PDBC52157","660427","Present",NA,NA
+"52158","Pyroangolensolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyroangolensolide",NA,"CC1=CCCC2(C1=CC(=O)OC2C3=COC=C3)C","PFXGEOGHUCCQPU-LSDHHAIUSA-N",396690,NA,"PDBC52158","703219","Present",NA,NA
+"52159","Pyrocatechol,4'-(meso-1,2-diethylethylene)di-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3'-dihydroxyhexestrol",NA,"CCC(C1=CC(=C(C=C1)O)O)C(CC)C2=CC(=C(C=C2)O)O","SQJDIVYCVVFMOZ-KBPBESRZSA-N",92156437,NA,"PDBC52159","35753","Present",NA,NA
+"52160","Pyrodelphinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrodelphinine",NA,"CN1CC2(CCC(C34C2C(C(C31)C5=CC(C6(CC4C5C6OC(=O)C7=CC=CC=C7)O)OC)OC)OC)COC","LFJVGOYFLDASBE-UHFFFAOYSA-N",431677,NA,"PDBC52160","295661","Present",NA,NA
+"52161","Pyronaridine phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyronaridine Phosphate",NA,"COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C(=C4)CN5CCCC5)O)CN6CCCC6.OP(=O)(O)O","AFQUPAGSIINWCQ-UHFFFAOYSA-N",135801425,NA,"PDBC52161","759834","Present",NA,NA
+"52162","Pyronine B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyronin b",NA,"CCN(CC)C1=CC2=C(C=C1)C=C3C=CC(=[N+](CC)CC)C=C3O2.[Cl-]","CXZRDVVUVDYSCQ-UHFFFAOYSA-M",16524,NA,"PDBC52162","44690","Present",NA,NA
+"52163","Pyrophen",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrophen",NA,"CC(=O)NC(CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC","VFMQMACUYWGDOJ-UHFFFAOYSA-N",370342,NA,"PDBC52163","643342","Present",NA,NA
+"52164","Pyrophosphate sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tspp",NA,"OP(=O)(O)OP(=O)(O)O.[Na+]","YIVJSMIYMAOVSJ-UHFFFAOYSA-N",22630756,NA,"PDBC52164","56751","Present",NA,NA
+"52165","Pyrrolidin-1-yl-[4-(trifluoromethyl)phenyl]diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-Trifluoromethylphenylazo)pyrrolidine",NA,"C1CCN(C1)N=NC2=CC=C(C=C2)C(F)(F)F","AADGQEUMOVPMFD-UHFFFAOYSA-N",390395,NA,"PDBC52165","687749","Present",NA,NA
+"52166","Pyrrolidinium, ethyl sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolidinium, 1-ethyl-1-hexadecyl-, ethyl sulfate",NA,"CCCCCCCCCCCCCCCC[N+]1(CCCC1)CC.CCOS(=O)(=O)[O-]","PBKZHUDIUKNEIP-UHFFFAOYSA-M",21144597,NA,"PDBC52166","186266","Present",NA,NA
+"52167","Pyrrolidinium,1'-ethylenebis[1-methyl-2-(3-pyridyl)-, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t6nj c- bt5ktj a1 a2- at5ktj a1 b- ct6nj &q 2 &i 2",NA,"C[N+]1(CCCC1C2=CN=CC=C2)CC[N+]3(CCCC3C4=CN=CC=C4)C","MJRIWDXWCJJQJG-UHFFFAOYSA-N",110653,NA,"PDBC52167","3284","Present",NA,NA
+"52168","Pyrrolidinium,1-(5-carboxypentyl)-1-[2-[2-[3-(octadecyloxy)-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl]-,inner salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolidinium, N-(5-carboxypentyl)-N- [2-[2-[3-(octadecy...",NA,"CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCC1)CCCCCC(=O)[O-])OC2=NC=CC=N2","AKLBMELLFAFCPP-UHFFFAOYSA-N",360861,NA,"PDBC52168","623527","Present",NA,NA
+"52169","Pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidine, 15",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK238063A",NA,"CN(C)C(=O)OC1CC(NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","YEIAMNOHYKXSFB-FPOVZHCZSA-N",25263274,NA,"PDBC52169","756168","Present",NA,NA
+"52170","Pyrrolidinyl-acetylenic thieno[3,2-d]pyrimidine, 6d",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GSK182497A",NA,"CN(C)C(=O)OC1CC(NC1)C#CC2=CC3=C(S2)C(=NC=N3)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl","YEIAMNOHYKXSFB-TZIWHRDSSA-N",11273032,NA,"PDBC52170","756148","Present",NA,NA
+"52171","Pyrrolo[1,2-a]quinoxalin-4-amine, N-(3,4,5-trimethoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[1,2-a]quinoxalin-4-amine, N-(3,4,5-trimethoxyphenyl)-",NA,"COC1=CC(=CC(=C1OC)OC)NC2=NC3=CC=CC=C3N4C2=CC=C4","RJZINLKYNXMNPF-UHFFFAOYSA-N",400205,NA,"PDBC52171","711723","Present",NA,NA
+"52172","Pyrrolo[2,2,4]triazine-4-amine, 7-beta-D-ribofuranosyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[2,1-f][1,2,4]triazine-4-amine, 7-.beta.-D-ribofu...",NA,"C1=C(N2C(=C1)C(=NC=N2)N)C3C(C(C(O3)CO)O)O","IGZFWIAREXANMY-UHFFFAOYSA-N",379557,NA,"PDBC52172","664236","Present",NA,NA
+"52173","Pyrrolo[2,7-dimethanol, 5-(3,4-dichloro phenyl)-, bis(methylcarbamate) (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[2,1-b]thiazole-6,7-dimethanol, 5-(3,4-dichloro p...",NA,"CNC(=O)OCC1=C(N2CCSC2=C1COC(=O)NC)C3=CC(=C(C=C3)Cl)Cl","QKQIGVVOCMNRQP-UHFFFAOYSA-N",342837,NA,"PDBC52173","380725","Present",NA,NA
+"52174","Pyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione, 2-(4-chlorophenyl)-10-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolo[3,4-a]carbazole-1,3(2H,10H)-dione, 2-(4-chlorophenyl)-10-phenyl-",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)Cl","WSIPNSVBXFVYBW-UHFFFAOYSA-N",364262,NA,"PDBC52174","630261","Present",NA,NA
+"52175","Pyrrolyl Aryl Sulfone (PAS) 8t",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrolyl Aryl Sulfone (PAS) 8t",NA,"CCC(=O)NC1=C(C=C(C=C1)Cl)S(=O)(=O)N2C=CC=C2C(=O)OCC","UCQSWSSAMLXKRN-UHFFFAOYSA-N",393144,NA,"PDBC52175","694557","Present",NA,NA
+"52176","Pyruvaldehyde bis(N4,N4-dimethylthiosemicarbazone)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ptsm",NA,"CC(=NNC(=S)NC)C=NNC(=S)NC","VEXRMMJOMMTPKJ-ZVSIBQGLSA-N",9552058,NA,"PDBC52176","23345","Present",NA,NA
+"52177","Pyrylium,6-dimethyl-, bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrylium, 4-[(p-bromophenacyl)thio]-2,6-dimethyl-, bromide",NA,"CC1=CC(=CC(=[O+]1)C)SCC(=O)C2=CC=C(C=C2)Br.[Br-]","DJIXRTQOKOBDLT-UHFFFAOYSA-M",5351609,NA,"PDBC52177","2941","Present",NA,NA
+"52178","Pz-1, >=98% (HPLC)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC792733",NA,"CC(C)(C)C1=CC(=NO1)NC(=O)CC2=CC=C(C=C2)N3C=NC4=C3C=CC(=C4)C5=CN(N=C5)C","NJLMIILZNLZZFW-UHFFFAOYSA-N",102004343,NA,"PDBC52178","792733","Present",NA,NA
+"52179","Q112 2-(Bis(2-chloroethyl)aminomethyl)-3-hydroxy-1,4-naphthoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{[Bis(2-chloroethyl)amino]methyl}-4-hydroxynaphthalene-1,2-dione",NA,"C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CN(CCCl)CCCl)O","BFVCSGYCKMCYOP-UHFFFAOYSA-N",233507,NA,"PDBC52179","32079","Present",NA,NA
+"52180","Q22579236",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q22579236",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)C=CC5=CC(=C(C=C5)Cl)Cl","GDGXJFJBRMKYDL-FYWRMAATSA-N",5351382,NA,"PDBC52180","640584","Present",NA,NA
+"52181","Q27102617",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27102617",NA,"CC1C2CCC3=C(C2(CCC1O)C)CCC4(C3(CCC4C(C)CCC(=C)C(C)C)C)C","MMNYKQIDRZNIKT-YLANKJTKSA-N",390622,NA,"PDBC52181","688223","Present",NA,NA
+"52182","Q27163024",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27163024",NA,"CC1(C(CC2=C(O1)C3=CC=CC=C3C(=O)C2=O)Br)C","AUROYOJYCLWCML-UHFFFAOYSA-N",264070,NA,"PDBC52182","98916","Present",NA,NA
+"52183","Q27183503",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27183503",NA,"CC1=CC(=C(C(=C1)Br)NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)Cl)C)Br","UEQJYROUYRYTFG-UHFFFAOYSA-N",342632,NA,"PDBC52183","379880","Present",NA,NA
+"52184","Q27183738",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27183738",NA,"C12=C(N=C(C(=N1)Cl)Cl)N=C(N2)C(=O)O","YXRXEPZMAPZYMM-UHFFFAOYSA-N",5383687,NA,"PDBC52184","182400","Present",NA,NA
+"52185","Q27183878",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27183878",NA,"CC1=NC=C(C=C1)NC(=O)NC2=C(C=CC=C2Cl)Cl","UGOAVFCPVAZKHK-UHFFFAOYSA-N",342499,NA,"PDBC52185","379468","Present",NA,NA
+"52186","Q27185245",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27185245",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=C(C=C(C=C3)C(=O)O)C(=O)O","MXKJSOMQCBHQQL-UHFFFAOYSA-N",307406,NA,"PDBC52186","205511","Present",NA,NA
+"52187","Q27188657",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27188657",NA,"CCNC(=S)N=NC1=C(NC2=C1C=C(C=C2)[N+](=O)[O-])O","CHQYIZFPXOODLW-UHFFFAOYSA-N",3572483,NA,"PDBC52187","716764","Present",NA,NA
+"52188","Q27190806",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27190806",NA,"CC1=NC(=CC=C1)NC(=S)NC2=CC=C(C=C2)OC","FJBXOQUCCBQUIY-UHFFFAOYSA-N",2730951,NA,"PDBC52188","695326","Present",NA,NA
+"52189","Q27192528",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27192528",NA,"CCOC(=O)NC1=CC2=C(C=C1)N=C(S2)N3CCCCCC3","ULJXJASKIKRWKU-UHFFFAOYSA-N",322919,NA,"PDBC52189","281383","Present",NA,NA
+"52190","Q27453567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27453567",NA,"C1=CC(=CC=C1CNC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O)F","HUDWVBGXXJRCNV-UHFFFAOYSA-N",390820,NA,"PDBC52190","688822","Present",NA,NA
+"52191","Q27458104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27458104",NA,"COC1=CC2=C(C=C1)C3=C(N2CCCCN)C(=NC=C3)C(F)(F)F","JVBWXORXTBDUMH-UHFFFAOYSA-N",54613080,NA,"PDBC52191","750400","Present",NA,NA
+"52192","Q27894422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27894422",NA,"C1=CC=C(C=C1)C(CC(=O)C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O","PJKDVDQLFSFEBL-UHFFFAOYSA-N",54680473,NA,"PDBC52192","208758","Present",NA,NA
+"52193","Q48V0948P7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q48V0948P7",NA,"C(C1=NC(=NC(=N1)N)N)C(=O)O","OGRURUKWBQLASB-UHFFFAOYSA-N",265620,NA,"PDBC52193","101828","Present",NA,NA
+"52194","Q63408823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q63408823",NA,"COC1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3)OC)O","IFHXSMSQHPVVSF-UHFFFAOYSA-N",265699,NA,"PDBC52194","102029","Present",NA,NA
+"52195","QFPGKQYYQDTOFV-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QFPGKQYYQDTOFV-UHFFFAOYSA-N",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC=C(S2)[N+](=O)[O-]","QFPGKQYYQDTOFV-UHFFFAOYSA-N",298930,NA,"PDBC52195","171303","Present",NA,NA
+"52196","QLZ45PX3T1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QLZ45PX3T1",NA,"C1=CC=C2C(=C1)NC3(S2)NC(=O)C(=O)C(=O)N3","CGJVHUCSRFVPHE-UHFFFAOYSA-N",234858,NA,"PDBC52196","35580","Present",NA,NA
+"52197","QN108",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QN108",NA,"CC1=C(N=C2C=C(C=CC2=N1)C(F)(F)F)NCC3=CC(=C(C(=C3)OC)OC)OC","RDDVYYTYENBKFJ-UHFFFAOYSA-N",385739,NA,"PDBC52197","677090","Present",NA,NA
+"52198","QN131",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QN131",NA,"COC1=CC=C(C=C1)NC2=NC3=C(C=CC(=C3)C(F)(F)F)N=C2C(=O)O","ORNCQZVTQNFZTO-UHFFFAOYSA-N",386964,NA,"PDBC52198","680191","Present",NA,NA
+"52199","QN149",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QN149",NA,"CCOC(=O)C1=NC2=C(C=C(C=C2)C(F)(F)F)N=C1NC3=CC=C(C=C3)OC","NGHQVTYJNRSZQH-UHFFFAOYSA-N",387139,NA,"PDBC52199","680555","Present",NA,NA
+"52200","QN6S3B7ZA5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QN6S3B7ZA5",NA,"CC1=CC2=C(C=C1)N(C3=C([Sn]2(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C=C3)C)C","NOVNZOOEIFHILE-UHFFFAOYSA-N",419766,NA,"PDBC52200","118030","Present",NA,NA
+"52201","QRPKNPKHGNUFGK-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QRPKNPKHGNUFGK-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)S(=O)(=O)NC4=CC=CC=N4","QRPKNPKHGNUFGK-UHFFFAOYSA-N",239794,NA,"PDBC52201","45382","Present",NA,NA
+"52202","QSWDLZWLBGEPJH-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QSWDLZWLBGEPJH-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)C23C(C4=CC=CC=C4C2=O)OC(=O)N3C5=CC=CC=C5","QSWDLZWLBGEPJH-UHFFFAOYSA-N",389836,NA,"PDBC52202","686468","Present",NA,NA
+"52203","QXARHNVPFNXOJM-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QXARHNVPFNXOJM-UHFFFAOYSA-N",NA,"CC(=O)N(C)CCC1=CNC2=CC=CC=C21","QXARHNVPFNXOJM-UHFFFAOYSA-N",383154,NA,"PDBC52203","671200","Present",NA,NA
+"52204","QXSRLZYSIFQJJS-UKTHLTGXSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QXSRLZYSIFQJJS-UKTHLTGXSA-N",NA,"COC1=C(C=C(C=C1)C=C(C#N)C2=CC=CC=N2)OC","QXSRLZYSIFQJJS-UKTHLTGXSA-N",5467797,NA,"PDBC52204","659321","Present",NA,NA
+"52205","Qingyangshengenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quingyangshengenin",NA,"CC(=O)C1(CCC2(C1(C(CC3C2(CC=C4C3(CCC(C4)O)C)O)OC(=O)C5=CC=C(C=C5)O)C)O)O","IMRGSWAJVVVYOW-UHFFFAOYSA-N",435955,NA,"PDBC52205","379666","Present",NA,NA
+"52206","Quercetin, dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"taxifolin",NA,"C1=CC(=C(C=C1C2C(C(=O)C3=CC(=C(C=C3O2)O)O)O)O)O","JIVANWVLNGMSOX-LSDHHAIUSA-N",54603556,NA,"PDBC52206","36398","Present",NA,NA
+"52207","Quettamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QUETTAMINE",NA,"C[N+]1(CCC2=C3C1C(OC3=C(C=C2)OC)C4=CC=C(C=C4)O)C.[I-]","VCPBPWIUAQRYEF-CJRXIRLBSA-N",5458827,NA,"PDBC52207","357090","Present",NA,NA
+"52208","Quinacrine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC14229///NSC757307",NA,"CCN(CC)CCCC(C)NC1=C2C=C(C=CC2=NC3=C1C=CC(=C3)Cl)OC.Cl","UKZANTJXIMWQCH-UHFFFAOYSA-N",5351141,NA,"PDBC52208","14229///757307","Present",NA,NA
+"52209","Quinaldine blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinaldine Blue",NA,"CCN1C(=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[Cl-]","FVMNARAKYNRZID-UHFFFAOYSA-M",54712667,NA,"PDBC52209","56808","Present",NA,NA
+"52210","Quinaldopeptin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinaldopeptin",NA,"CC1C(C(=O)N2CCCCC2C(=O)NCC(=O)N(CC(=O)N3CCCCC3C(=O)NC(C(C(=O)N4CCCCC4C(=O)NCC(=O)N(CC(=O)N5CCCCC5C(=O)N1)C)NC(=O)C6=NC7=CC=CC=C7C=C6O)C)C)NC(=O)C8=NC9=CC=CC=C9C=C8O","KIPSHYPQCJYONU-GVPFWXHKSA-N",5466698,NA,"PDBC52210","641261","Present",NA,NA
+"52211","Quinalizarin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quinalizarin",NA,"C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O","VBHKTXLEJZIDJF-UHFFFAOYSA-N",5004,NA,"PDBC52211","4896","Present",NA,NA
+"52212","Quinapyramine dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Antrycide chloride",NA,"CC1=CC(=NC2=CC3=C(C=C([N+](=C3C=C2)C)C)N)N=C(N1C)N.Cl.[Cl-]","VVIZQGRJJPEJPT-UHFFFAOYSA-N",135422085,NA,"PDBC52212","48223","Present",NA,NA
+"52213","Quinazoline, 4-(2-methoxyethoxy)-2-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinazoline, 4-(2-methoxyethoxy)-2-phenyl-",NA,"COCCOC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3","HIJVNHVNZWJSRC-UHFFFAOYSA-N",403432,NA,"PDBC52213","718233","Present",NA,NA
+"52214","Quinazolino[2,3-c][1,4]benzothiazin-12(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinazolino[2,3-c][1,4]benzothiazin-12(6H)-one",NA,"C1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4S1","BEKWDOZRQNHBNX-UHFFFAOYSA-N",370488,NA,"PDBC52214","643710","Present",NA,NA
+"52215","Quinazolinone 6-OH-2,3-dihydro-2-(1-naphthyl)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"QUINAZOLINONE",NA,"C1=CC=C2C(=C1)C=CC=C2C3NC4=C(C=C(C=C4)O)C(=O)N3","DSPVMXZFVUAEBC-UHFFFAOYSA-N",334935,NA,"PDBC52215","342435","Present",NA,NA
+"52216","Quindonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quindonium hydrobromide",NA,"C1CC2CCC3=[N+](C2C1)CCC4=C3C=CC(=C4)O.[Br-]","OUILVKYDBNPYBM-UHFFFAOYSA-N",8543,NA,"PDBC52216","78614","Present",NA,NA
+"52217","Quinidine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quine",NA,"COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O","AKYHKWQPZHDOBW-UHFFFAOYSA-N",11069,NA,"PDBC52217","5362","Present",NA,NA
+"52218","Quinine (Hydrobromide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinine, hydrobromide, hydrate",NA,"COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.Br","HDZGBIRSORQVNB-UHFFFAOYSA-N",11068,NA,"PDBC52218","12865","Present",NA,NA
+"52219","Quino[2',3':3,4]pyrrolo[1,2-b][2,7]naphthyridine-3,14-dione, 2-[2-(dimethylamino)ethyl]-4-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quino[2',3':3,4]pyrrolo[1,2-b][2,7]naphthyridine- 3,14-d...",NA,"CCC1(C2=C(CN(C1=O)CCN(C)C)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O","OURVDKXUGAAWJV-DEOSSOPVSA-N",155805054,NA,"PDBC52219","682297","Present",NA,NA
+"52220","Quino[8,7-diamine, N,N'-bis[3-(dimethylamino)propyl]-3,9-dimethyl-, tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quino[8,7-h]quinoline-1,7-diamine, N,N'-bis[3-(dimethyla...",NA,"CC1=CC(=C2C=CC3=C(C2=N1)C=CC4=C(C=C(N=C34)C)NCCCN(C)C)NCCCN(C)C.Cl","HTGDFPPUIOQBQB-UHFFFAOYSA-N",24198873,NA,"PDBC52220","306365","Present",NA,NA
+"52221","Quinocarcin monocitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quinocarcin monocitrate",NA,"CN1C2CC(C1C3CC4=C(C5N3C2OC5)C(=CC=C4)OC)C(=O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","MTZMRPGOPJFNLW-YFLVRMBNSA-N",353396,NA,"PDBC52221","601422","Present",NA,NA
+"52222","Quinocarmycin analog",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Cyanoquinocarcinol",NA,"CN1C2CC(C1C3CC4=C(C(N3C2C#N)CO)C(=CC=C4)OC)C(=O)O","YGWHMSNGVVTUIT-UHFFFAOYSA-N",122737,NA,"PDBC52222","607097","Present",NA,NA
+"52223","Quinocetone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinocetone",NA,"CC1=C([N+](=O)C2=CC=CC=C2N1[O-])C(=O)C=CC3=CC=CC=C3","IOKWXGMNRWVQHX-VAWYXSNFSA-N",5387181,NA,"PDBC52223","621477","Present",NA,NA
+"52224","Quinolin-2-ylmethyl 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolin-2-ylmethyl 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(quinolin-2-ylmethyl)piperazin-1-yl]quinoline-3-carboxylate",NA,"C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC5=NC6=CC=CC=C6C=C5)F)C(=O)OCC7=NC8=CC=CC=C8C=C7","HUSIDYFTKMYNRM-UHFFFAOYSA-N",406214,NA,"PDBC52224","724257","Present",NA,NA
+"52225","Quinolin-8-ol; xanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolin-8-ol; xanthen-9-one",NA,"C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3O2.C1=CC2=C(C(=C1)O)N=CC=C2","MJVAASXECGMNAR-UHFFFAOYSA-N",271897,NA,"PDBC52225","115892","Present",NA,NA
+"52226","Quinolin-8-yl (E)-but-2-enoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646912",NA,"CC=CC(=O)OC1=CC=CC2=C1N=CC=C2.Cl","HQBIHPHJTNPWMC-DPZBITMOSA-N",6517279,NA,"PDBC52226","646912","Present",NA,NA
+"52227","Quinolin-8-yl 6-(chloromethyl)-2-oxochromene-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolin-8-yl 6-(chloromethyl)-2-oxo-2h-chromene-3-carboxylate",NA,"C1=CC2=C(C(=C1)OC(=O)C3=CC4=C(C=CC(=C4)CCl)OC3=O)N=CC=C2","YOIIHKSEJOPKPY-UHFFFAOYSA-N",402508,NA,"PDBC52227","716535","Present",NA,NA
+"52228","Quinoline, 3-[[4-[[2-(diethylamino)ethyl]amino]-1-naphthyl]azo]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline, 3-[[4-[[2-(diethylamino)ethyl]amino]-1-naphth...",NA,"CCN(CC)CCNC1=CC=C(C2=CC=CC=C21)N=NC3=CC4=CC=CC=C4N=C3","OGMCNKIUMUENFR-UHFFFAOYSA-N",262083,NA,"PDBC52228","95288","Present",NA,NA
+"52229","Quinoline, 4-(2,5-dimethoxystyryl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline, 4-(2,5-dimethoxystyryl)-",NA,"COC1=CC(=C(C=C1)OC)C=CC2=CC=NC3=CC=CC=C23","SKSPBGAEBWSFCS-BQYQJAHWSA-N",5929717,NA,"PDBC52229","69603","Present",NA,NA
+"52230","Quinoline, 4-(4-N,N-dimethylaminostyryl)-5,6-benzo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(E)-2-Benzo[f]quinolin-1-ylvinyl]-N,N-dimethyl-aniline",NA,"CN(C)C1=CC=C(C=C1)C=CC2=C3C(=NC=C2)C=CC4=CC=CC=C43","IKCVQOAMABCPCU-JXMROGBWSA-N",5904653,NA,"PDBC52230","407356","Present",NA,NA
+"52231","Quinoline,4,5-trimethoxystyryl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T66 BNJ E1U1R BO1 DO1 EO1",NA,"COC1=CC(=C(C=C1C=CC2=CC=NC3=CC=CC=C23)OC)OC","XPYLMRIXEKTASO-HJWRWDBZSA-N",54598341,NA,"PDBC52231","80756","Present",NA,NA
+"52232","Quinoline-4-amine,N'-[(piperazine-1,4-diyl)bis (propane-1,3-diyl)]bis[6-methoxy-, tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline-4-amine, N,N'-[(piperazine-1,4-diyl)bis (propa...",NA,"COC1=CC2=C(C=CN=C2C=C1)NCCCN3CCN(CC3)CCCNC4=C5C=C(C=CC5=NC=C4)OC.Cl","QZLKOLPOEHHUNA-UHFFFAOYSA-N",54611040,NA,"PDBC52232","365360","Present",NA,NA
+"52233","Quinoline-4-carboxamide,N'-[(1,4-piperazinediyl) bis(3,1-propanediyl)]bis(2-phenyl-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline-4-carboxamide, N,N'-[(1,4-piperazinediyl) bis(...",NA,"C1CN(CCN1CCCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)CCCNC(=O)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7.Cl","MYBDUXVKTYHAGX-UHFFFAOYSA-N",384385,NA,"PDBC52233","674092","Present",NA,NA
+"52234","Quinoline-5, 6-[(3-hydroxy-3-phenyl-2-propyl)amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoline-5,8-dione, 6-[(3-hydroxy-3-phenyl-2-propyl)ami...",NA,"CC(C(C1=CC=CC=C1)O)NC2=CC(=O)C3=C(C2=O)C=CC=N3","QGPJZWANENWRKK-UHFFFAOYSA-N",386228,NA,"PDBC52234","677945","Present",NA,NA
+"52235","Quinolinium, 4-(2-(8-hydroxy-5-methyl-7-quinolyl)vinyl)-1-methyl-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 4-[2-(8-hydroxy-5-methyl-7-quinolyl)vinyl]-...",NA,"CC1=CC(=C(C2=C1C=CC=N2)O)C=CC3=CC=[N+](C4=CC=CC=C34)C.[I-]","MNAHQEBGYKILRR-UHFFFAOYSA-N",135534478,NA,"PDBC52235","86373","Present",NA,NA
+"52236","Quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-quinolyl)vinyl]-1-methyl-iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 6-ethoxy-2-[2-(8-hydroxy-5-quinolyl)vinyl]-...",NA,"CCOC1CCC2C(C1)CCC(N2C)C=CC3=C4C=CC=NC4=C(C=C3)O","ZOYLVBQKNCQNAG-RMKNXTFCSA-N",54610060,NA,"PDBC52236","85701","Present",NA,NA
+"52237","Quinolinium, 8-ethoxy-1-ethyl-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Ethoxy-1-ethylquinolinium iodide",NA,"CC[N+]1=CC=CC2=C1C(=CC=C2)OCC.[I-]","VQDXNJIEBOSMIX-UHFFFAOYSA-M",372055,NA,"PDBC52237","646916","Present",NA,NA
+"52238","Quinolinium, chloride, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 4-amino-2-methyl-1-[10-[(2-methyl- 4-quinol...",NA,"CC1=NC2=CC=CC=C2C(=C1)NCCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.Cl.[Cl-]","ALCZFNAXYRDMKQ-UHFFFAOYSA-N",387885,NA,"PDBC52238","682096","Present",NA,NA
+"52239","Quinolinium, dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC218439",NA,"C[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)NC(=O)C3=C(C=C(C=C3)NC4=C5C=C(C=CC5=[N+](C=C4)C)[N+](=O)[O-])[N+](=O)[O-].[Cl-]","TUFHOUNZXFZZHE-UHFFFAOYSA-O",5351265,NA,"PDBC52239","218439","Present",NA,NA
+"52240","Quinolinium,4-bis[2-(2,4,6-trimethoxyphenyl)ethenyl]-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 1-methyl-2,4-bis[2-(2,4,6-trimethoxyphenyl)...",NA,"C[N+]1=C(C=C(C2=CC=CC=C21)C=CC3=C(C=C(C=C3OC)OC)OC)C=CC4=C(C=C(C=C4OC)OC)OC.[I-]","YWEOCOJVSQXGHY-DHYBKWRASA-M",54598530,NA,"PDBC52240","231984","Present",NA,NA
+"52241","Quinolinium,5-dimethyl-1-pentylpyrrol-3-yl)-vinyl]1,6-dimethyl-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 2-[2-(2,5-dimethyl-1-pentyl-1H-pyrrol-3-yl)...",NA,"CCCCCN1C(=CC(=C1C)C=CC2=[N+](C3=C(C=C2)C=C(C=C3)C)C)C.[Cl-]","ZKNVFCBYZIYGDP-UHFFFAOYSA-M",54605545,NA,"PDBC52241","31709","Present",NA,NA
+"52242","Quinolinium,6-dimethyl-iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 2-[2-(8-hydroxy-5-methyl-7-quinolyl)vinyl]-...",NA,"CC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=C(C4=C(C=CC=N4)C(=C3)C)O)C.[I-]","MICXGHNXBHRCKJ-UHFFFAOYSA-N",135534475,NA,"PDBC52242","86371","Present",NA,NA
+"52243","Quinolinium,6-methyl-, iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinolinium, 2-[2-(8-hydroxy-5-quinolyl)vinyl]-1,6-methy...",NA,"CC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=C4C=CC=NC4=C(C=C3)O)C.[I-]","PWPXDRWDJIJHLD-UHFFFAOYSA-N",135534457,NA,"PDBC52243","85700","Present",NA,NA
+"52244","Quinoxaline, 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoxaline, 2-(3-chlorophenyl)-3-[(4-chlorophenyl)methyl]-",NA,"C1=CC=C2C(=C1)N=C(C(=N2)C3=CC(=CC=C3)Cl)CC4=CC=C(C=C4)Cl","NIUZKKOEEBSSMF-UHFFFAOYSA-N",403642,NA,"PDBC52244","718710","Present",NA,NA
+"52245","Quinoxaline, 2-chloro-3-(iodomethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoxaline, 2-chloro-3-(iodomethyl)-",NA,"C1=CC=C2C(=C1)N=C(C(=N2)Cl)CI","LUQLSNWURHZKSL-UHFFFAOYSA-N",286258,NA,"PDBC52245","144177","Present",NA,NA
+"52246","Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoxaline, 6,7-dichloro-2-methyl-3-(methylthio)-, 1,4-dioxide",NA,"CC1=C([N+](=O)C2=CC(=C(C=C2N1[O-])Cl)Cl)SC","DQTFWWOZEVXLON-UHFFFAOYSA-N",389765,NA,"PDBC52246","686361","Present",NA,NA
+"52247","Quinoxaline, 6-chloro-2,3-bis(iodomethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoxaline, 6-chloro-2,3-bis(iodomethyl)-",NA,"C1=CC2=C(C=C1Cl)N=C(C(=N2)CI)CI","JUSSMMAJIDPHPB-UHFFFAOYSA-N",286252,NA,"PDBC52247","144163","Present",NA,NA
+"52248","Quinoxaline, 6-chloro-2-(phenoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoxaline, 6-chloro-2-(phenoxy)-",NA,"C1=CC=C(C=C1)OC2=CN=C3C=C(C=CC3=N2)Cl","OGOCNTLEAKGYNS-UHFFFAOYSA-N",60147747,NA,"PDBC52248","752337","Present",NA,NA
+"52249","Quinoxaline,3-benzodioxol-5-yl)-1-oxo-2-propen-1-yl]-2,6,7-trimethyl-, 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoxaline, 3-[3-(l,3-benzodioxol-5-yl)-1-oxo-2-propen-...",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC4=C(C=C3)OCO4","LSMIPRLPWQVPBH-GQCTYLIASA-N",5387189,NA,"PDBC52249","621487","Present",NA,NA
+"52250","Quinoxaline,6,7-trimethyl-, 1,4-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinoxaline, 3-[3-(2-nitrophenyl)-1-oxo-2-propen-1-yl]-2...",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)C=CC3=CC=CC=C3[N+](=O)[O-]","OXDABLUUWWAFTE-CMDGGOBGSA-N",5351352,NA,"PDBC52250","621486","Present",NA,NA
+"52251","Quinquethiphene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinquethiphene",NA,"C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)C5=CC=CS5","YFBLUJZFRBFQMR-UHFFFAOYSA-N",395508,NA,"PDBC52251","700150","Present",NA,NA
+"52252","Quinterenol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinterenol hydrochloride",NA,"CC(C)NCC(C1=C2C=CC=NC2=C(C=C1)O)O.Cl","ZXJJXRFJIDRFPY-UHFFFAOYSA-N",24200043,NA,"PDBC52252","355081","Present",NA,NA
+"52253","Quinuclidin-3-yl (E)-2-hydroxy-2,4-diphenyl-but-3-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinuclidin-3-yl (E)-2-hydroxy-2,4-diphenyl-but-3-enoate",NA,"C1CN2CCC1C(C2)OC(=O)C(C=CC3=CC=CC=C3)(C4=CC=CC=C4)O","ZNJFSXPVEZDYHT-SDNWHVSQSA-N",5468170,NA,"PDBC52253","665723","Present",NA,NA
+"52254","Quinuclidin-3-yl 2-hydroxy-3-methyl-2-(2-thienyl)but-3-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Quinuclidin-3-yl 2-hydroxy-3-methyl-2-(2-thienyl)but-3-enoate",NA,"CC(=C)C(C1=CC=CS1)(C(=O)OC2CN3CCC2CC3)O","DKKGMWQNBVYUFD-UHFFFAOYSA-N",380363,NA,"PDBC52254","665886","Present",NA,NA
+"52255","Qycyijpgpxswmm-uhfffaoysa-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dihydro-3-spiro(1-methylpiperidin-4-yl)-5H-imidazo[2...",NA,"CN1CCC2(CC1)N3CCN=C3NO2","QYCYIJPGPXSWMM-UHFFFAOYSA-N",10987186,NA,"PDBC52255","727192","Present",NA,NA
+"52256","R-1530",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R-1530",NA,"CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)F)OC","UOVCGJXDGOGOCZ-UHFFFAOYSA-N",135398512,NA,"PDBC52256","767953","Present",NA,NA
+"52257","RAPAMYCIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RAPAMYCIN",NA,"CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC","QFJCIRLUMZQUOT-ADLMHZFOSA-N",54600319,NA,"PDBC52257","226080","Present",NA,NA
+"52258","RB5B7G5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RB5B7G5",NA,NA,NA,NA,NA,"PDBC52258","636222","Present",NA,NA
+"52259","RBC4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RBC4",NA,NA,NA,NA,NA,"PDBC52259","636223","Present",NA,NA
+"52260","RCL L158712",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RCL L158712",NA,"CCCC1=C(NC(=C1C(=O)OCC)C(=O)CCC(=O)C2=C(C(=C(N2)C(=O)OCC)CCC)C(=O)OCC)C(=O)OCC","XYXRQAAQUIONIT-UHFFFAOYSA-N",374807,NA,"PDBC52260","653144","Present",NA,NA
+"52261","RCL L160083",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RCL L160083",NA,"C1=CC=C(C=C1)C2C(=C(C(=O)C2=C3C(C(=C(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8","HKQMVEYJUSCHJQ-VGFSZAGXSA-N",3004058,NA,"PDBC52261","624981","Present",NA,NA
+"52262","RCL L160741",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RCL L160741",NA,"C1CC23C=CC4(O2)CCC56C4(C3(C1(O5)C=C6)C(F)(F)F)C(F)(F)F","KDYYIGLVOYNXIM-UHFFFAOYSA-N",361821,NA,"PDBC52262","625139","Present",NA,NA
+"52263","RCL R153257",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RCL R153257",NA,"COC(=O)C1=C(C23CC1C4C2(C=CC=C3)C(=C4C(=O)OC)C(=O)OC)C(=O)OC","KYPYYYMRGZJZCQ-UHFFFAOYSA-N",367132,NA,"PDBC52263","636519","Present",NA,NA
+"52264","RCL S107441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RCL S107441",NA,"C1=CC=C2C3C4=CC=CC=C4C(C2=C1)C5=C6C7C8=CC=CC=C8C(C6=C9C(=O)C=CC(=O)C9=C35)C1=CC=CC=C71","ABQNCCFKZBSJLW-UHFFFAOYSA-N",370649,NA,"PDBC52264","644011","Present",NA,NA
+"52265","RCL S18407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RCL S18407",NA,"CC12C3C4CC5C3C(O1)(C6C5C4C26)O","PENAUTLHAQSFJP-UHFFFAOYSA-N",362200,NA,"PDBC52265","625799","Present",NA,NA
+"52266","RCL S325104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RCL S325104",NA,"COC(=O)C12C34CCC15C=CC6(C2(C(O3)(CC6)C=C4)C(=O)OC)O5","ZRMNJZIXDIHSBJ-UHFFFAOYSA-N",361823,NA,"PDBC52266","625141","Present",NA,NA
+"52267","RCL T229660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RCL T229660",NA,"C1CCCCCC23CC(=O)CC2(CCCC1)CC(=O)C3","KDLKIBGVAYXTGH-UHFFFAOYSA-N",363123,NA,"PDBC52267","627692","Present",NA,NA
+"52268","RD3GVR673P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RD3GVR673P",NA,"CC1=CN=C(N=C1C2=CC3=CC=CC=C3S2)SCCN4CCN(CC4)C","KNELXRNFFDSJLO-UHFFFAOYSA-N",358883,NA,"PDBC52268","619012","Present",NA,NA
+"52269","RDEUUWUFJSOERA-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RDEUUWUFJSOERA-UHFFFAOYSA-N",NA,"C=C1CC(OC1=O)(COC2=CC3=C(C=C2)C=CC(=O)O3)C4=CC=CC=C4","RDEUUWUFJSOERA-UHFFFAOYSA-N",381509,NA,"PDBC52269","668265","Present",NA,NA
+"52270","RDVMYEQQVGPRCL-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RDVMYEQQVGPRCL-UHFFFAOYSA-N",NA,"C1CCN(CC1)CCCN2C=NC3=C(C2=O)C=CC=N3","RDVMYEQQVGPRCL-UHFFFAOYSA-N",360827,NA,"PDBC52270","623244","Present",NA,NA
+"52271","RE 1492",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RE 1492",NA,"C1=CC=C(C=C1)CCCCNCC2=CC(=CC(=C2)CNCCCCC3=CC=CC=C3)CNCCCCC4=CC=CC=C4","RPSXXPUMOFOJAV-UHFFFAOYSA-N",163878,NA,"PDBC52271","704565","Present",NA,NA
+"52272","RE640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RE640",NA,"C1=CC2=C(C=CN=C2C=C1Cl)NCCNC3=C4C=CC(=CC4=NC=C3)Cl","SSXYXSMMVMVYEV-UHFFFAOYSA-N",221354,NA,"PDBC52272","5844","Present",NA,NA
+"52273","REGID_for_CID_289745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"REGID_for_CID_289745",NA,"COC1=CC(=C2C(=C1)C=CC(=N2)C3=CC=C(C=C3)Cl)NC4CCCCC4O","CGOLNLWHMQSTSZ-UHFFFAOYSA-N",289745,NA,"PDBC52273","151982","Present",NA,NA
+"52274","REGID_for_CID_3005238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"REGID_for_CID_3005238",NA,"CCCCSC(=C(C#N)C(=O)N)C1=CC2=C(N1)CCCC2","FQOLJHJIJJBTRH-QINSGFPZSA-N",3005238,NA,"PDBC52274","685418","Present",NA,NA
+"52275","REGID_for_CID_371946",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"REGID_for_CID_371946",NA,"C1=CC=C2C(=C1)C(=NNC2=O)CNC3=C(C=C(C=C3)Cl)Cl","MPXGMPRIJUTPCP-UHFFFAOYSA-N",371946,NA,"PDBC52275","646680","Present",NA,NA
+"52276","RG-7602",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RG-7602",NA,"CCN1CCC(CC1)OC2=C3C4=C(NC3=CN=C2C#N)N=CC=C4","XEZLBMHDUXSICI-UHFFFAOYSA-N",58266779,NA,"PDBC52276","791163","Present",NA,NA
+"52277","RG-7741",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RG-7741",NA,"C1CC(CN(C1)C2=C3C(=CNC3=NC=C2Br)NC(=O)C4CC4)N","BAZRWWGASYWYGB-SNVBAGLBSA-N",46917793,NA,"PDBC52277","808789","Present",NA,NA
+"52278","RG5.5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RG5.5",NA,NA,NA,NA,NA,NA,"PDBC52278",NA,"Absent",NA,NA
+"52279","RG7112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RG7112 (RO5045337)",NA,"RG-7112",NA,NA,NA,NA,NA,"PDBC52279","771531///809100","Present",NA,NA
+"52280","RGB-286638 free base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RGB-286638",NA,"COCCN1CCN(CC1)CC2=CC=C(C=C2)C3=NNC4=C3C(=O)C5=C4C=CC=C5NC(=O)NN6CCOCC6","XLSYZSRXVVCHLS-UHFFFAOYSA-N",11285002,NA,"PDBC52280","800866","Present",NA,NA
+"52281","RGX-104",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RGX-104",NA,"CC(CCOC1=CC=CC(=C1)CC(=O)O)N(CC2=C(C(=CC=C2)C(F)(F)F)Cl)CC(C3=CC=CC=C3)C4=CC=CC=C4","ZLJZDYOBXVOTSA-XMMPIXPASA-N",10218693,NA,"PDBC52281","813859","Present",NA,NA
+"52282","RH1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RH1",NA,"CC1=C(C(=O)C(=C(C1=O)N2CC2)CO)N3CC3","JKDLOGLNPDVUCX-UHFFFAOYSA-N",394347,NA,"PDBC52282","697726","Present",NA,NA
+"52283","RHIZOXIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RHIZOXIN",NA,"CC1C=CC2C(O2)(C(CC(OC(=O)C3C(O3)CC4CC1OC(=O)C4)C(C)C(C(=CC=CC(=CC5=COC(=N5)C)C)C)OC)O)C","OWPCHSCAPHNHAV-LLAMSIHESA-N",54601174,NA,"PDBC52283","332598","Present",NA,NA
+"52284","RHPS 4 methosulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,11-difluoro-6,8,13-trimethyl-8H-quino[4,3,2-kl]acridin...",NA,"CC1=CC2=C3C(=C1)N(C4=C(C3=[N+](C5=C2C=C(C=C5)F)C)C=C(C=C4)F)C.COS(=O)(=O)[O-]","VRWGYMXWYZBBGF-UHFFFAOYSA-M",9804187,NA,"PDBC52284","714187","Present",NA,NA
+"52285","RIOLOZATRIONE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RIOLOZATRIONE",NA,"CC1CC2=C(C1)C(=O)C(C2C3(C(=O)CC4C(C3=O)C4(C)C)C)C","NHBBYXIXBPPEDQ-UHFFFAOYSA-N",433403,NA,"PDBC52285","329078","Present",NA,NA
+"52286","RJFKWGUZANATSB-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RJFKWGUZANATSB-UHFFFAOYSA-N",NA,"C1CCC(CC1)N2C(=C(Cl)Cl)C(=C(Cl)Cl)N(C2=O)C3CCCCC3","RJFKWGUZANATSB-UHFFFAOYSA-N",374228,NA,"PDBC52286","651718","Present",NA,NA
+"52287","RM8UZT5WRZ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RM8UZT5WRZ",NA,"CC(=O)OC1=CC=CC2=C1C(=O)CCCC2","YCYLKMWPCPPMFM-UHFFFAOYSA-N",387175,NA,"PDBC52287","680711","Present",NA,NA
+"52288","RN-486",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RN-486",NA,"CN1CCN(CC1)C2=CN=C(C=C2)NC3=CC(=CN(C3=O)C)C4=C(C(=CC=C4)N5C=CC6=CC(=CC(=C6C5=O)F)C7CC7)CO","ZTUJNJAKTLHBEX-UHFFFAOYSA-N",46908026,NA,"PDBC52288","781417","Present",NA,NA
+"52289","ROCHE screening, 64",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767397",NA,"CN=C1NC(=O)C(=CC2=CC3=C(C=C2)N=CC=C3)S1","OTTNNAIKNUBBIR-WQLSENKSSA-N",135475857,NA,"PDBC52289","767397","Present",NA,NA
+"52290","ROCHE screening, 67",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767383",NA,"C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCCC4=CC=C(C=C4)F)S3)N=C1","UXZMCMNLBUGBMC-UYRXBGFRSA-N",135950079,NA,"PDBC52290","767383","Present",NA,NA
+"52291","ROCHE screening, 68",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767387",NA,"C1=CC(=CC(=C1)Cl)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2","YEBLRTZBIRRDLW-UYRXBGFRSA-N",135950082,NA,"PDBC52291","767387","Present",NA,NA
+"52292","ROCHE screening, 69",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767374",NA,"C1=CC=C(C(=C1)CCN=C2NC(=O)C(=CC3=CC4=C(C=C3)N=CC=C4)S2)F","STXWTJXGSSNHTL-UYRXBGFRSA-N",135950077,NA,"PDBC52292","767374","Present",NA,NA
+"52293","ROCHE screening, 75",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767404",NA,"C1=CC2=C(C=CC(=C2)C=C3C(=O)NC(=NCC4=CC=CS4)O3)N=C1","RVOPXDLRTRUOFB-YBEGLDIGSA-N",136882203,NA,"PDBC52293","767404","Present",NA,NA
+"52294","RS4.6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RS4.6",NA,NA,NA,NA,NA,NA,"PDBC52294",NA,"Absent",NA,NA
+"52295","RS6.4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RS6.4",NA,NA,NA,NA,NA,NA,"PDBC52295",NA,"Absent",NA,NA
+"52296","RSC000437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RSC000437",NA,"CCNC1=NC(=C(S1)C(=O)C2=CC=C(C=C2)Cl)N","FMWOBSRFNVLETF-UHFFFAOYSA-N",399011,NA,"PDBC52296","709432","Present",NA,NA
+"52297","RSC000774",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RSC000774",NA,"C1=CSC(=C1)C(=O)C=CC2=CC=C(C=C2)Cl","BNSHKSGHHCPPDV-VMPITWQZSA-N",5292843,NA,"PDBC52297","657747","Present",NA,NA
+"52298","RSC002586",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RSC002586",NA,"COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=CC=C3)N","MWRZPNGRLYXGKP-UHFFFAOYSA-N",399616,NA,"PDBC52298","710525","Present",NA,NA
+"52299","RSC004699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RSC004699",NA,"C1=CSC(=C1)C(=O)C=CC2=CSC=C2","BLXLKHPDMGGTDQ-ONEGZZNKSA-N",5467683,NA,"PDBC52299","657763","Present",NA,NA
+"52300","RSC005197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RSC005197",NA,"CCC1C(=C(OC2=C1C(=O)CC(C2)(C)C)N)C#N","DULJRAHNWCJXCR-UHFFFAOYSA-N",397588,NA,"PDBC52300","705929","Present",NA,NA
+"52301","RSC007125",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RSC007125",NA,"CCN1CC(=CC2=CC=C(C=C2)Cl)C3=C(C1)C(C(=C(O3)N)C#N)C4=CC=C(C=C4)Cl","JFMFPEDGIFBDTR-GZTJUZNOSA-N",5285732,NA,"PDBC52301","706015","Present",NA,NA
+"52302","RSCBB000142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RSCBB000142",NA,"C1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N","KTPFGSXXUDJFFQ-UHFFFAOYSA-N",780902,NA,"PDBC52302","678060","Present",NA,NA
+"52303","RSCBB000147",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RSCBB000147",NA,"COC1=CC=C(C=C1)C2=C(C(=S)NC(=C2C#N)N)C#N","ZYLUJIUASPPJEP-UHFFFAOYSA-N",4161738,NA,"PDBC52303","712232","Present",NA,NA
+"52304","RSU-1069",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RSU-1069",NA,"C1CN1CC(CN2C=CN=C2[N+](=O)[O-])O","OEWYWFJWBZNJJG-UHFFFAOYSA-N",100153,NA,"PDBC52304","347503","Present",NA,NA
+"52305","RT-014559",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RT-014559",NA,"CC(C)C(C1=CC=CC=C1)N(C(C)(C)C)OC(C)C2=CC=CC=C2","FPFRTDOMIFBPBZ-UHFFFAOYSA-N",6712809,NA,"PDBC52305","714201","Present",NA,NA
+"52306","RT-020463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RT-020463",NA,"CN1C2=CC=CC=C2S(=O)(=O)NC1=NCCO","WLOQQPVPKLIXRG-UHFFFAOYSA-N",135429906,NA,"PDBC52306","373860","Present",NA,NA
+"52307","RT-023906",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RT-023906",NA,"C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC5=CC=CC=C5C(=C4O)C6=C(C(=CC7=CC=CC=C76)[Si](C8=CC=CC=C8)(C9=CC=CC=C9)C1=CC=CC=C1)O","STBZSRVMGWTCOU-UHFFFAOYSA-N",394171,NA,"PDBC52307","697408","Present",NA,NA
+"52308","RUKMXSMDSWJZSU-GHRIWEEISA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RUKMXSMDSWJZSU-GHRIWEEISA-N",NA,"CC(C)(C)N=C1N(C(=O)ON1C(C)(C)C)C2=CC=CC=C2","RUKMXSMDSWJZSU-UHFFFAOYSA-N",390099,NA,"PDBC52308","687042","Present",NA,NA
+"52309","RUKXKUXHBRQYLK-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RUKXKUXHBRQYLK-UHFFFAOYSA-N",NA,"C1=C(C(=O)NC(=O)N1)C(C(F)(F)F)(C(F)(F)F)F","RUKXKUXHBRQYLK-UHFFFAOYSA-N",373128,NA,"PDBC52309","649070","Present",NA,NA
+"52310","RUMSUGVHLWUDNX-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RUMSUGVHLWUDNX-UHFFFAOYSA-N",NA,"CC1=C(C(=NC(=O)N1)CC(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=CC=C4","RUMSUGVHLWUDNX-UHFFFAOYSA-N",365315,NA,"PDBC52310","632904","Present",NA,NA
+"52311","Rac-2-Ethoxy-3-octadecanamido-1-propylphosphocholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Oeppc",NA,"CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC","QUVZKDZYEOYGKV-UHFFFAOYSA-N",72241,NA,"PDBC52311","624874","Present",NA,NA
+"52312","Rac-2-Methyleneoxy-1-O-octyl-myo-inistol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rac-2-Methyleneoxy-1-O-octyl-myo-inistol",NA,"CCCCCCCCCCCCCCCC(=O)OC1C(C(C(C(C12CO2)O)O)O)O","QKRIPMSYZDZZOI-UHFFFAOYSA-N",3793212,NA,"PDBC52312","676019","Present",NA,NA
+"52313","Rac-3-Hexadecanamido-2-ethoxypropyl phosphocholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CP-49",NA,"CCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC","USUMXADKOISKIL-UHFFFAOYSA-N",361655,NA,"PDBC52313","624873","Present",NA,NA
+"52314","Rac-3-Octadecanamido-2-methoxypropyl phosphocholine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CP-50",NA,"CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OC","KTJPWDKOKGANNX-UHFFFAOYSA-N",5030,NA,"PDBC52314","624872","Present",NA,NA
+"52315","Rac-Phycocyanobilin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Extracted from algae",NA,"CCC1=C(C(=NC1=O)C=C2C(=C(C(=CC3=C(C(=C(N3)C=C4C(=CC)C(C(=O)N4)C)C)CCC(=O)O)N2)CCC(=O)O)C)C","NNMALANKTSRILL-HSHKIBDDSA-N",54611329,NA,"PDBC52315","633984","Present",NA,NA
+"52316","Rac-huprine X",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rac-huprine X",NA,"CCC1=CC2CC(C1)C3=C(C4=C(C=C(C=C4)Cl)N=C3C2)N.Cl","YSJSSHIVMXYVNW-UHFFFAOYSA-N",25182512,NA,"PDBC52316","720263","Present",NA,NA
+"52317","Radiatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Radiatin",NA,"CC1C2C=CC(=O)C2(C(C3C(C(=O)OC3C1O)C)OC(=O)C(=C)C)C","UAGDSHSRQZJWSQ-HYJBFAGTSA-N",312134,NA,"PDBC52317","220531","Present",NA,NA
+"52318","Radiatoside E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Radiatoside E",NA,"CC1CCC2C1C(OC=C2C(=O)OC3C4CCOC(C4C5(C3O5)CO)OC6C(C(C(C(O6)CO)O)O)O)OC7C(C(C(C(O7)CO)O)O)O","JFUHCGVURJQGTM-BCOIZJBGSA-N",378231,NA,"PDBC52318","660034","Present",NA,NA
+"52319","Radicinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"radicinin",NA,"CC=CC1=CC2=C(C(=O)C(C(O2)C)O)C(=O)O1","SDKXGAICTNHFCN-DCJAWTJCSA-N",5381458,NA,"PDBC52319","118343","Present",NA,NA
+"52320","Raimondal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Raimondal",NA,"CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1OC)O","JYLMHTHQKBETEO-UHFFFAOYSA-N",156741,NA,"PDBC52320","650937","Present",NA,NA
+"52321","Ralimetinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-2228820",NA,"CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C(C)(C)C)C4=CC=C(C=C4)F)N=C1N","XPPBBJCBDOEXDN-UHFFFAOYSA-N",11539025,NA,"PDBC52321","766820","Present",NA,NA
+"52322","Ramosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ramosin",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2(C4C(C(C(C(O4)CO)O)O)O)O)C=CC(=C3O)C5(C6=C(C(=CC=C6)O)C(=O)C7=C5C=C(C=C7O)C)O","RYMXHLGOQKJLJM-UHFFFAOYSA-N",363268,NA,"PDBC52322","628050","Present",NA,NA
+"52323","Ramulosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ramulosin",NA,"CC1CC2CCCC(=C2C(=O)O1)O","XQHOYOKXFNTNQZ-UHFFFAOYSA-N",54704345,NA,"PDBC52323","112906","Present",NA,NA
+"52324","Rapamycin prodrug",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606698",NA,"CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)O)C)C)OC(=O)CN(C)C)OC)C)C)C)OC.CS(=O)(=O)O","XVNMRKHCSMPLOF-CPNVPWJOSA-N",54601137,NA,"PDBC52324","606698","Present",NA,NA
+"52325","Rapamycin prodrug,N-diethylpropionate-, hydrochloride salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rapamycin prodrug, Mono-(28)-N,N-diethylpropionate-, hyd...",NA,"CCN(CC)CCC(=O)OC1C(C(=O)C(CC(C=CC=CC=C(C(CC2CCC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(CC(=O)C(C=C1C)C)C(C)CC4CCC(C(C4)OC)O)O)C)OC)C)C)C)OC.Cl","STJJEEPKSPHFGU-GAIFIJEKSA-N",54608028,NA,"PDBC52325","606699","Present",NA,NA
+"52326","Rathyronine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"detrothyronin",NA,"C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(C(=O)O)N)I)I)O","AUYYCJSJGJYCDS-UHFFFAOYSA-N",861,NA,"PDBC52326","46046","Present",NA,NA
+"52327","Ravoxertinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GDC-0994",NA,"CN1C(=CC=N1)NC2=NC=CC(=N2)C3=CC(=O)N(C=C3)C(CO)C4=CC(=C(C=C4)Cl)F","RZUOCXOYPYGSKL-GOSISDBHSA-N",71727581,NA,"PDBC52327","781343","Present",NA,NA
+"52328","Razoxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Razoxane",NA,"CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","BMKDZUISNHGIBY-UHFFFAOYSA-N",30623,NA,"PDBC52328","129943","Present",NA,NA
+"52329","Razoxane, (R)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ICRF 186",NA,"CC(CN1CC(=O)NC(=O)C1)N2CC(=O)NC(=O)C2","BMKDZUISNHGIBY-SSDOTTSWSA-N",298076,NA,"PDBC52329","169779","Present",NA,NA
+"52330","Real Thiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Real Thiol",NA,"C1CN(C1)C2=CC3=C(C=C2)C=C(C(=O)O3)C=C(C#N)C(=O)N(CC(=O)O)CC(=O)O","VNKDTNMOOIIYSL-VGOFMYFVSA-N",130289569,NA,"PDBC52330","808793","Present",NA,NA
+"52331","Rebastinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774831///NSC800863",NA,"CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)NC)F)C4=CC5=C(C=C4)N=CC=C5","WVXNSAVVKYZVOE-UHFFFAOYSA-N",25066467,NA,"PDBC52331","774831///800863","Present",NA,NA
+"52332","Rebeccamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rebeccamycin",NA,"COC1C(OC(C(C1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO","QEHOIJJIZXRMAN-UHFFFAOYSA-N",5043,NA,"PDBC52332","359079","Present",NA,NA
+"52333","Rebeccamycin analog",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-d640199///Becatecarin",NA,"CCN(CC)CCN1C(=O)C2=C3C4=C(C(=CC=C4)Cl)NC3=C5C(=C2C1=O)C6=C(N5C7C(C(C(C(O7)CO)OC)O)O)C(=CC=C6)Cl","JSKFWUPVIZYJMR-UHFFFAOYSA-N",368860,NA,"PDBC52333","640199///655649","Present",NA,NA
+"52334","Rebimastat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rebimastat",NA,"CC(C)CC(C(=O)NC(C(=O)NC)C(C)(C)C)NC(=O)C(CCN1C(=O)C(N(C1=O)C)(C)C)S","GTXSRFUZSLTDFX-KSCSMHSMSA-N",401057,NA,"PDBC52334","713763","Present",NA,NA
+"52335","Recombinant Human Endothelial Interleukin-8 (77 amino ac...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Recombinant Human Endothelial Interleukin-8 (77 amino ac...",NA,NA,NA,NA,NA,"PDBC52335","640039","Present",NA,NA
+"52336","Recombinant Human Interleukin-5",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Recombinant Human Interleukin-5",NA,NA,NA,NA,NA,"PDBC52336","640038","Present",NA,NA
+"52337","Recombinant Human Monocytic Interleukin-8 (72 amino acid...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Recombinant Human Monocytic Interleukin-8 (72 amino acid...",NA,NA,NA,NA,NA,"PDBC52337","640040","Present",NA,NA
+"52338","Red Violet 2RN Acid Anthraquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Red Violet 2RN Acid Anthraquinone",NA,"C1=CC=C(C=C1)NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)O","GNYBNEOJUARKPW-UHFFFAOYSA-N",222169,NA,"PDBC52338","7578","Present",NA,NA
+"52339","Redoxal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"redoxal",NA,"COC1=C(C=CC(=C1)C2=CC(=C(C=C2)NC3=CC=CC=C3C(=O)O)OC)NC4=CC=CC=C4C(=O)O","IQZIRNIZQHVBMB-UHFFFAOYSA-N",72571,NA,"PDBC52339","73735","Present",NA,NA
+"52340","Reductic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Reductic acid",NA,"C1CC(=O)C(=C1O)O","CRTGSPPMTACQBL-UHFFFAOYSA-N",65726,NA,"PDBC52340","642788","Present",NA,NA
+"52341","Refractin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Refractin",NA,"COC1=CC=CC2=C1N(C34C25CCN6C5C(CCC6)(CC3)CC4C(=O)OC)C=O","NJLKGEGVAFDBDJ-NNNCCGCYSA-N",254384,NA,"PDBC52341","78734","Present",NA,NA
+"52342","Regaloside A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Regaloside A",NA,"C1=CC(=CC=C1C=CC(=O)OCC(COC2C(C(C(C(O2)CO)O)O)O)O)O","PADHSFRQMFRWLS-MUWVXHEGSA-N",5459131,NA,"PDBC52342","626437","Present",NA,NA
+"52343","Regaloside B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Regaloside B",NA,"CC(=O)OCC(COC(=O)C=CC1=CC=C(C=C1)O)OC2C(C(C(C(O2)CO)O)O)O","YQKQOLPNKNHLBO-KRJCNZRASA-N",5459143,NA,"PDBC52343","627041","Present",NA,NA
+"52344","Reidispongiolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Reidispongiolide A",NA,"CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)C)OC)OC","LOYDTENNTZZQJM-FJVZNZLHSA-N",5468564,NA,"PDBC52344","671681","Present",NA,NA
+"52345","Reidispongiolide C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Reidispongiolide C",NA,"CC1C=CC(CC(C(C2CC(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC(=O)O)OC)OC)C)OC)C)OC)OC","CAIRKKJGUSKGIC-GOFNFUOESA-N",5470537,NA,"PDBC52345","702925","Present",NA,NA
+"52346","Relacorilant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"relacorilant",NA,"CN1C=C(C=N1)S(=O)(=O)N2CCC3=CC4=C(CC3(C2)C(=O)C5=NC=CC(=C5)C(F)(F)F)C=NN4C6=CC=C(C=C6)F","WANIDIGFXJFFEL-SANMLTNESA-N",73051463,NA,"PDBC52346","812727","Present",NA,NA
+"52347","Remangilone C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Remangilone C",NA,"CC1=C(C(=O)CC2(C1CCC3(C2CC=C4C3(C(C(=O)C5C4CC(CC5)(C)C)O)C)C)C)O","QQWIUBKPPNCYMY-JHYKCHHWSA-N",397856,NA,"PDBC52347","706476","Present",NA,NA
+"52348","Remazol Brilliant Blue R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Remazol Brilliant Blue R",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=CC=C4)S(=O)(=O)C=CS(=O)(=O)O)S(=O)(=O)O)N.[Na+]","NRIBGJDYWRYXOX-HRNDJLQDSA-N",54611111,NA,"PDBC52348","364365","Present",NA,NA
+"52349","Remdesivir",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GS-5734",NA,"CCC(CC)COC(=O)C(C)NP(=O)(OCC1C(C(C(O1)(C#N)C2=CC=C3N2N=CN=C3N)O)O)OC4=CC=CC=C4","RWWYLEGWBNMMLJ-YSOARWBDSA-N",121304016,NA,"PDBC52349","825151","Present",NA,NA
+"52350","Rengyol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Cyclohexanediol,1-(2-hydroxyethyl)-, cis",NA,"C1CC(CCC1O)(CCO)O","TWORTZAXDSRCIT-UHFFFAOYSA-N",363707,NA,"PDBC52350","628867","Present",NA,NA
+"52351","Replaced CAS registry number(s): 66835-31-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Replaced CAS registry number(s): 66835-31-2",NA,"CCCCCCCCCCCCSC1=C(C(=O)C(=C(C1=O)OC)OC)Cl","XZZRDSLWZIGIPZ-UHFFFAOYSA-N",312122,NA,"PDBC52351","220334","Present",NA,NA
+"52352","Repotrectinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TPX-0005",NA,"CC1CNC(=O)C2=C3N=C(C=CN3N=C2)NC(C4=C(O1)C=CC(=C4)F)C","FIKPXCOQUIZNHB-WDEREUQCSA-N",135565923,NA,"PDBC52352","800522","Present",NA,NA
+"52353","Resazurin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"resazoin",NA,"C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=[N+]2[O-]","PLXBWHJQWKZRKG-UHFFFAOYSA-N",11077,NA,"PDBC52353","10438","Present",NA,NA
+"52354","Reserpic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Reserpic acid",NA,"COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)O)NC5=C4C=CC(=C5)OC)O","JVHNBFFHWQQPLL-WOXROFTLSA-N",65747,NA,"PDBC52354","81463","Present",NA,NA
+"52355","Resibufogenin derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RESIBUFOGENIN, METHACRYLATE DERIV",NA,"CC(=C)C(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35C(O5)CC4C6=COC(=O)C=C6)C)C","NBLRISMPFJBPGB-UHFFFAOYSA-N",320371,NA,"PDBC52355","267712","Present",NA,NA
+"52356","Resorcinolnaphthalein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1378AH",NA,"C1=CC2=C3C(=C1)C(=O)OC4(C3=CC=C2)C5=C(C=C(C=C5)O)OC6=C4C=CC(=C6)O","FTUOFHGOGJGQAB-UHFFFAOYSA-N",337218,NA,"PDBC52356","354317","Present",NA,NA
+"52357","Resorufin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Resorufin",NA,"C1=CC2=C(C=C1O)OC3=CC(=O)C=CC3=N2","HSSLDCABUXLXKM-UHFFFAOYSA-N",69462,NA,"PDBC52357","12097","Present",NA,NA
+"52358","Resveratrol-3,5-diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Resveratrol-3,5-diacetate",NA,"CC(=O)OC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)O)OC(=O)C","YBTSXNIAKDYGPK-ONEGZZNKSA-N",5473049,NA,"PDBC52358","723531","Present",NA,NA
+"52359","Retinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"atav",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCO)C)C","FPIPGXGPPPQFEQ-OVSJKPMPSA-N",445354,NA,"PDBC52359","122759","Present",NA,NA
+"52360","Retrochinensin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JUSTICIDIN B",NA,"COC1=C(C=C(C=C1)C2=C3C=C4C(=CC3=CC5=C2COC5=O)OCO4)OC","YYPFAIGJJDNPII-UHFFFAOYSA-N",122805,NA,"PDBC52360","254665","Present",NA,NA
+"52361","Retusin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"retusin (van)",NA,"COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC)O)OC)OC","HHGPYJLEJGNWJA-UHFFFAOYSA-N",5352005,NA,"PDBC52361","61837","Present",NA,NA
+"52362","Reumycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"reumycin",NA,"CN1C(=O)C2=C(NC1=O)N=NC=N2","ZLLAXLPOOMLVRF-UHFFFAOYSA-N",5351216,NA,"PDBC52362","99733","Present",NA,NA
+"52363","Reveromycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Reveromycin A",NA,"CCCCC1(CCC2(CCC(C(O2)CC=C(C)C=CC(C(C)C=CC(=O)O)O)C)OC1CCC(=CC(=O)O)C)OC(=O)CCC(=O)O","WBKGGGSUUMPJST-FUPTYHQXSA-N",5467207,NA,"PDBC52363","648386","Present",NA,NA
+"52364","Rhamnazin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhamnazin",NA,"COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)OC)O","MYMGKIQXYXSRIJ-UHFFFAOYSA-N",5320945,NA,"PDBC52364","678106","Present",NA,NA
+"52365","Rhamnetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rhamnetin",NA,"COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O","JGUZGNYPMHHYRK-UHFFFAOYSA-N",5281691,NA,"PDBC52365","19802","Present",NA,NA
+"52366","Rhamnolipid R 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rhamnolipid r-1",NA,"CCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)O)OC2C(C(C(C(O2)C)O)O)O","FCBUKWWQSZQDDI-UHFFFAOYSA-N",425975,NA,"PDBC52366","178265","Present",NA,NA
+"52367","Rhapsamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhapsamine",NA,"C(CCC=CCCNCC(CN)O)CCC=CCC=CCC=CCC=CCC=CCC=CCCNCC(CN)O","VIESJYQXPBPNON-ACNSRNEESA-N",5470023,NA,"PDBC52367","696673","Present",NA,NA
+"52368","Rheinanthrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rheinanthrone",NA,"C1C2=C(C(=CC=C2)O)C(=O)C3=C1C=C(C=C3O)C(=O)O","OZFQHULMMDWMIV-UHFFFAOYSA-N",119396,NA,"PDBC52368","658580","Present",NA,NA
+"52369","Rhodanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhodanic acid",NA,"C1C(=O)NC(=S)S1","KIWUVOGUEXMXSV-UHFFFAOYSA-N",1201546,NA,"PDBC52369","1899","Present",NA,NA
+"52370","Rhodirubin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Marcellomycin",NA,"CCC1(CC(C2=C(C3=C(C=C2C1C(=O)OC)C(=O)C4=C(C=CC(=C4C3=O)O)O)O)OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)O)O)N(C)C)O","VJRAUFKOOPNFIQ-XAYJNONASA-N",319748,NA,"PDBC52370","265211","Present",NA,NA
+"52371","Rhodium complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RHODIUM COMPLEX",NA,"C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.C1=CC=C(C=C1)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=CC=C5.[Cl-].[Rh+3]","MBWYDUJEEIVIBV-UHFFFAOYSA-M",24202029,NA,"PDBC52371","619179","Present",NA,NA
+"52372","Rhodium dimer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhodium dimer",NA,NA,NA,NA,NA,"PDBC52372","646946","Present",NA,NA
+"52373","Rhodium(1+), chloride, pentahydrate, trans-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhodium(1+), dichlorotetrakis(pyridine)-, chloride, pent...",NA,"C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.C1CC[N-]CC1.Cl[Rh]Cl","LAFTXWXRVVTBOQ-UHFFFAOYSA-L",54606736,NA,"PDBC52373","156311","Present",NA,NA
+"52374","Rhodium, bis(2,3-butanedione dioximato)chloro(triphenylp...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhodium, bis(2,3-butanedione dioximato)chloro(triphenylp...",NA,NA,NA,NA,NA,"PDBC52374","210599","Present",NA,NA
+"52375","Rhuschalcone I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhuschalcone I",NA,"COC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OC3=C(C=C(C(=C3)C(=O)C=CC4=CC=C(C=C4)O)O)OC)O","KGGDBGGPDRWGEC-BGPOSVGRSA-N",5472697,NA,"PDBC52375","720812","Present",NA,NA
+"52376","Rhuschalcone II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhuschalcone II",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC(=C(C=C2O)O)OC3=CC=C(C=C3)C=CC(=O)C4=C(C=C(C=C4)O)O)O","RKYMUBMDNHRQBK-ACFHMISVSA-N",5472700,NA,"PDBC52376","720815","Present",NA,NA
+"52377","Rhuschalcone III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhuschalcone III",NA,"COC1=C(C=C(C(=C1)O)C(=O)C=CC2=CC=C(C=C2)O)OC3=CC=C(C=C3)C=CC(=O)C4=C(C=C(C=C4)O)O","VWFAAFDOTKTTKV-MKFXEVHTSA-N",5472698,NA,"PDBC52377","720813","Present",NA,NA
+"52378","Rhuschalcone IV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhuschalcone IV",NA,"COC1=C(C=C(C(=C1)O)C(=O)C=CC2=CC=C(C=C2)O)OC3=CC(=C(C=C3)C(=O)C=CC4=CC=C(C=C4)O)O","AUWRGBKFYMBVIY-MKFXEVHTSA-N",5472699,NA,"PDBC52378","720814","Present",NA,NA
+"52379","Rhuschalcone VI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhuschalcone VI",NA,"C1=CC(=CC=C1C=CC(=O)C2=C(C=C(C(=C2)C3=C(C=CC(=C3)C=CC(=O)C4=C(C=C(C=C4)O)O)O)O)O)O","GKIHPJBWPIVSEV-HULALXFYSA-N",5472701,NA,"PDBC52379","720816","Present",NA,NA
+"52380","Ricinus communis",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ricinus communis",NA,NA,NA,NA,NA,"PDBC52380","15384","Present",NA,NA
+"52381","Ridazin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ridazin",NA,"CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl","SNXMQJGTZHNPCN-UHFFFAOYSA-N",99712,NA,"PDBC52381","186055","Present",NA,NA
+"52382","Rietone 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rietone 1",NA,"CC(=CC(=O)C(C(=CCCC(=CCC1=CC(=C(C=C1O)CC(=O)OC)O)C)C)O)C","BMWQZICHUPZIIN-AAZCYQLISA-N",5468719,NA,"PDBC52382","675010","Present",NA,NA
+"52383","Rifamycin, 3-[(4-methyl-1-piperazinyl)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rifamycin, 3-[(4-methyl-1-piperazinyl)methyl]-",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)CN5CCN(CC5)C)C","JIJQRBWJNKPMEO-GDVSYNKOSA-N",5382571,NA,"PDBC52383","145611","Present",NA,NA
+"52384","Rifamycin, 3-[[(pentyloxy)imino]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AF 012",NA,"CCCCCON=CC1=C2C(=C3C(=C1O)C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)N2)C)C)O)C)O)C)OC(=O)C)C)OC)C)O","NZLFPVCWUJGSPW-MBWIUBFKSA-N",135534672,NA,"PDBC52384","143475","Present",NA,NA
+"52385","Rifomycin M14",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rifomide",NA,"CCN(CC)C(=O)COC1=C2C3=C(C(=C1)NC(=O)C(=CC=CC(C(C(C(C(C(C(C(C=COC4(C(=O)C2=C(O4)C(=C3O)C)C)OC)C)OC(=O)C)C)O)C)O)C)C)O","VFYNXKZVOUXHDX-ZDOWLDHSSA-N",5382104,NA,"PDBC52385","133099","Present",NA,NA
+"52386","Rilzabrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PRN-1008",NA,"CC(C)(C=C(C#N)C(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=C(C=C(C=C4)OC5=CC=CC=C5)F)N)N6CCN(CC6)C7COC7","LCFFREMLXLZNHE-GBOLQPHISA-N",73388818,NA,"PDBC52386","812901","Present",NA,NA
+"52387","Rimcazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rimcazole",NA,NA,"CC1CN(CC(N1)C)CCCN2C3=CC=CC=C3C4=CC=CC=C42","GUDVQJXODNJRIJ-CALCHBBNSA-N",53389,NA,"PDBC52387",NA,"Absent",NA,NA
+"52388","Rimiterol Hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rimiterol hydrobromide",NA,"C1CCNC(C1)C(C2=CC(=C(C=C2)O)O)O.Br","QPYZEEKXUYXZBK-UHFFFAOYSA-N",5458580,NA,"PDBC52388","289336","Present",NA,NA
+"52389","Ritanserin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ritanserin",NA,"CC1=C(C(=O)N2C=CSC2=N1)CCN3CCC(=C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)CC3","JUQLTPCYUFPYKE-UHFFFAOYSA-N",5074,NA,"PDBC52389","805597","Present",NA,NA
+"52390","Roblitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FGF-401",NA,"CN1CCN(C(=O)C1)CC2=C(N=C3C(=C2)CCCN3C(=O)NC4=NC=C(C(=C4)NCCOC)C#N)C=O","BHKDKKZMPODMIQ-UHFFFAOYSA-N",118036971,NA,"PDBC52390","804962","Present",NA,NA
+"52391","Rocaglamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rocaglamide",NA,"CN(C)C(=O)C1C(C2(C(C1O)(C3=C(O2)C=C(C=C3OC)OC)O)C4=CC=C(C=C4)OC)C5=CC=CC=C5","DAPAQENNNINUPW-IDAMAFBJSA-N",331783,NA,"PDBC52391","326408","Present",NA,NA
+"52392","Roccelline CS",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fast red v",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC4=C3C=CC=C4S(=O)(=O)O)O.[Na+]","XNQZZTFTKVKXOR-UHFFFAOYSA-N",135421963,NA,"PDBC52392","45205","Present",NA,NA
+"52393","Rogaratinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BAY-1163877",NA,"CC1=CC2=C(C(=C1)OC)SC(=C2)C3=C4C(=NC=NN4C(=C3COC)CN5CCNC(=O)C5)N","HNLRRJSKGXOYNO-UHFFFAOYSA-N",71611869,NA,"PDBC52393","804518","Present",NA,NA
+"52394","Rogiolol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rogiolol",NA,"CC1(C(C(CC(=C)C12CCC(C(C2)Br)(C)Cl)O)Br)C","KKDUTGUFMQDATD-BZDLPWPVSA-N",402519,NA,"PDBC52394","716545","Present",NA,NA
+"52395","Rogletimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridoglutethimide",NA,"CCC1(CCC(=O)NC1=O)C2=CC=NC=C2","QXKJWHWUDVQATH-UHFFFAOYSA-N",56487,NA,"PDBC52395","619778","Present",NA,NA
+"52396","Rollidecin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rollidecin B",NA,"CCCCCCCCCCC(C(CCC(C1CCC(O1)C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O","XPAKKKLOWFSUAV-VHANIVQDSA-N",393468,NA,"PDBC52396","695401","Present",NA,NA
+"52397","Rollitacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rollitacin",NA,"CCCCCC(C(CCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCCCC3=CC(OC3=O)C)O)O)O)O","SWLPIUHJTSWWOJ-RINKTZIGSA-N",393469,NA,"PDBC52397","695402","Present",NA,NA
+"52398","Roridin A,10B-epoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Roridin A, 8-hydroxy-9B,10B-epoxy-",NA,"CC1CCOC(C=CC=CC(=O)OC2CC3C4(C2(C5(CC(C6(C(C5O3)O6)C)O)COC(=O)C1O)C)CO4)C(C)O","DYIWWIJYZCGJAG-KQQUZDAGSA-N",5477527,NA,"PDBC52398","327993","Present",NA,NA
+"52399","Roritoxin B from m. roridum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Roritoxin B from m. roridum",NA,"CC1=CC2C3(CC1)COC(=O)C4C5(O4)CCOC6(C5OC(C6O)O)C=CC=CC(=O)OC7C3(C8(CO8)C(C7)O2)C","WWNGAYLSKFTSBS-KCEUJNKSSA-N",54602701,NA,"PDBC52399","603724","Present",NA,NA
+"52400","Rosamicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rosamicin",NA,"CCC1C(C2C(O2)(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC3C(C(CC(O3)C)N(C)C)O)CC=O)C)C)C","IUPCWCLVECYZRV-ZRDIBKRKSA-N",5383587,NA,"PDBC52400","175150","Present",NA,NA
+"52401","Roseophilin, HCl salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Roseophilin, HCl salt",NA,"CC(C)C1C2CCCCCCCCC3=NC(=C2C4=C(C=C(O4)C5=C(C=CN5)Cl)OC)C1=C3.Cl","YMPPSVBDNLVOPI-UHFFFAOYSA-N",135499311,NA,"PDBC52401","650718","Present",NA,NA
+"52402","Roserine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"roserine",NA,"COC1=C(C(=C2C=[N+]3CCC4C3=C(C2=C1)CCC4)OC)OC.[Cl-]","GAGYWNMHSSQDPR-UHFFFAOYSA-M",395426,NA,"PDBC52402","699962","Present",NA,NA
+"52403","Rosmarinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rosmarinine",NA,"CC=C1CC(C(C(=O)OCC2C(CN3C2C(CC3)OC1=O)O)(C)O)C","YEXVXKIMPBHRQR-WCIBSUBMSA-N",12315046,NA,"PDBC52403","125830","Present",NA,NA
+"52404","Rosuvastatin(1-)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rosuvastatin calcium",NA,"CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C","BPRHUIZQVSMCRT-VEUZHWNKSA-M",9869776,NA,"PDBC52404","779708","Present",NA,NA
+"52405","Rubescensin A (Oridonin) [Rabdosia diterpenoid]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rubescensin A (Oridonin) [Rabdosia diterpenoid]",NA,"CC1(CCC(C23C1C(C(C45C2CCC(C4O)C(=C)C5=O)(OC3)O)O)O)C","SDHTXBWLVGWJFT-AKQQBLALSA-N",5459168,NA,"PDBC52405","637458","Present",NA,NA
+"52406","Rubijervine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rubijervin",NA,"CC1CCC2C(C3C(N2C1)CC4C3(C(CC5C4CC=C6C5(CCC(C6)O)C)O)C)C","AANKDJLVHZQCFG-KVHNBARJSA-N",253295,NA,"PDBC52406","76026","Present",NA,NA
+"52407","Ruboxistaurin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-333531",NA,NA,"Ruboxistaurin",NA,NA,NA,153999,NA,"PDBC52407","800873","Present",NA,NA
+"52408","Rubradirin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rubradirin",NA,NA,NA,NA,NA,"PDBC52408","99282","Present",NA,NA
+"52409","Rubremetinium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rubremetinium chloride",NA,"CCC1C[N+]2=C(C3=CC(=C(C=C3CC2)OC)OC)C4=C1C=C5N4CCC6=CC(=C(C=C65)OC)OC.[Cl-]","CRBBMSBWSQARPS-UHFFFAOYSA-M",5351504,NA,"PDBC52409","25463","Present",NA,NA
+"52410","Rubrolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rubrolide A",NA,"C1=C(C=C(C(=C1Br)O)Br)C=C2C(=CC(=O)O2)C3=CC(=C(C(=C3)Br)O)Br","RQFYDYMMVXKTBY-BNNQUZSASA-N",6055630,NA,"PDBC52410","701303","Present",NA,NA
+"52411","Rubrolide N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rubrolide n",NA,"C1=CC(=C(C=C1C=C2C(=C(C(=O)O2)Br)C3=CC(=C(C=C3)O)Cl)Br)O","QHIKKPMDFHDGFT-NSIKDUERSA-N",5472704,NA,"PDBC52411","720857","Present",NA,NA
+"52412","Rubroskyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(-)-Ruboskyrin",NA,"CC1=CC(=C2C(=C1O)C(=O)C34C(C(CC(=O)C3=C2O)O)C5C(C4C(=O)C6=C5C(=C7C(=C6O)C(=O)C=C(C7=O)C)O)O)O","YYTIAXCFTFIIPI-UHFFFAOYSA-N",119082,NA,"PDBC52412","249991","Present",NA,NA
+"52413","Rucaparib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rucaparib",NA,"CNCC1=CC=C(C=C1)C2=C3CCNC(=O)C4=C3C(=CC(=C4)F)N2","HMABYWSNWIZPAG-UHFFFAOYSA-N",9931954,NA,"PDBC52413","756644","Present",NA,NA
+"52414","Rugulovasine A-hcl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rugulovasine a-hcl///rugulovasine b-hcl",NA,"CC1=CC2(C(CC3=CNC4=CC=CC2=C34)NC)OC1=O.Cl","XFVPIVICOOPQGN-UHFFFAOYSA-N",24193462,NA,"PDBC52414","152467///152468","Present",NA,NA
+"52415","Rustaiyan A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"RUSTAIYAN A",NA,"CC(=C)C(=O)OC1CC2=CC(CC3(C(O3)C4C1C(=C)C(=O)O4)C)OC2=O","WIQOUTANBFOBPB-UHFFFAOYSA-N",324967,NA,"PDBC52415","292206","Present",NA,NA
+"52416","Rutacridone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rutacridone (8ci)",NA,"CC(=C)C1CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O","FHAGACMCMQYSNX-UHFFFAOYSA-N",5281849,NA,"PDBC52416","628875","Present",NA,NA
+"52417","Rutacridone epoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rutacridone epoxide",NA,"CC1(CO1)C2CC3=C(O2)C=C(C4=C3N(C5=CC=CC=C5C4=O)C)O","YXQGLAPCZDYVLL-UHFFFAOYSA-N",5281850,NA,"PDBC52417","383031","Present",NA,NA
+"52418","Rutaecarpine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhetine",NA,"C1CN2C(=NC3=CC=CC=C3C2=O)C4=C1C5=CC=CC=C5N4","ACVGWSKVRYFWRP-UHFFFAOYSA-N",65752,NA,"PDBC52418","258317","Present",NA,NA
+"52419","Rutagravine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rutagravine",NA,"CC1(COC2C1OC3=C2C4=C(C(=C3)O)C(=O)C5=CC=CC=C5N4C)O","SWALXCKAJQTSAC-UHFFFAOYSA-N",5465778,NA,"PDBC52419","661203","Present",NA,NA
+"52420","Ryanodine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ryanodine",NA,"CC1CCC2(C3(CC4(C5(C(C(C3(C5(C2(C1O)O4)O)O)OC(=O)C6=CC=CN6)(C(C)C)O)C)O)C)O","JJSYXNQGLHBRRK-UHFFFAOYSA-N",5114,NA,"PDBC52420","114572","Present",NA,NA
+"52421","S-(1-(1,3-Benzodioxol-5-yl)-2-(hydroxy(oxido)amino)ethyl) ethanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(1-(1,3-Benzodioxol-5-yl)-2-(hydroxy(oxido)amino)ethyl) ethanethioate",NA,"CC(=O)SC(C[N+](=O)[O-])C1=CC2=C(C=C1)OCO2","BQVOGCHEJCUTMP-UHFFFAOYSA-N",379575,NA,"PDBC52421","664264","Present",NA,NA
+"52422","S-(1-Naphthylmethyl) 4-chlorobenzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(1-Naphthylmethyl) 4-chlorobenzenecarbothioate",NA,"C1=CC=C2C(=C1)C=CC=C2CSC(=O)C3=CC=C(C=C3)Cl","OTXRCGNMRLBGID-UHFFFAOYSA-N",235043,NA,"PDBC52422","35991","Present",NA,NA
+"52423","S-(2-(((4-Methylphenyl)sulfonyl)amino)ethyl) 4-methylbenzenesulfonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-2-(4-Methylphenylsulfonamido)ethyl 4-methyl benzenesul...",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCSS(=O)(=O)C2=CC=C(C=C2)C","FQWORAHSQAIMEB-UHFFFAOYSA-N",373720,NA,"PDBC52423","650621","Present",NA,NA
+"52424","S-(2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl) thiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(2-(1,2-Dihydro-3-acenaphthylenylamino)-2-oxoethyl) thiocarbamate",NA,"C1CC2=C(C=CC3=C2C1=CC=C3)NC(=O)CSC(=O)N","HDJGVLFSLRJOCK-UHFFFAOYSA-N",387859,NA,"PDBC52424","682070","Present",NA,NA
+"52425","S-(2-(Ethylamino)-2-iminoethyl) hydrogen thiosulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(2-(Ethylamino)-2-iminoethyl) hydrogen thiosulfate",NA,"CCN=C(CSS(=O)(=O)O)N","OPRWASLSDWMPNH-UHFFFAOYSA-N",302481,NA,"PDBC52425","187538","Present",NA,NA
+"52426","S-(2-Acetamidoethyl) benzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetamide, n-(2-mercaptoethyl)-, benzoate (6ci, 7ci)",NA,"CC(=O)NCCSC(=O)C1=CC=CC=C1","FFSICNPQENQANW-UHFFFAOYSA-N",281604,NA,"PDBC52426","134459","Present",NA,NA
+"52427","S-(2-Hydroxyethyl) N-(2-chloroethyl)carbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MCS-798",NA,"C(CCl)NC(=O)SCCO","FRGRBTVTBPOAIY-UHFFFAOYSA-N",369332,NA,"PDBC52427","641086","Present",NA,NA
+"52428","S-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl) N-(2,2,2-trichloroethoxysulfonyl)carbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl) N-(2,2,2-trichloroethoxysulfonyl)carbamothioate",NA,"C(CSC(=O)NS(=O)(=O)OCC(Cl)(Cl)Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F","GRVDESNZZJLAKF-UHFFFAOYSA-N",403340,NA,"PDBC52428","718130","Present",NA,NA
+"52429","S-(3,5-Dioxo-2H-1,2,4-triazin-6-yl) phenazine-1-carbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(3,5-Dioxo-2H-1,2,4-triazin-6-yl) phenazine-1-carbothioate",NA,"C1=CC=C2C(=C1)N=C3C=CC=C(C3=N2)C(=O)SC4=NNC(=O)NC4=O","HHTILRLLLMYAML-UHFFFAOYSA-N",403975,NA,"PDBC52429","719923","Present",NA,NA
+"52430","S-(3-(Hydroxy(oxido)amino)imidazo[1,2-a]pyridin-2-yl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(3-(Hydroxy(oxido)amino)imidazo[1,2-a]pyridin-2-yl)cysteine",NA,"C1=CC2=NC(=C(N2C=C1)[N+](=O)[O-])SCC(C(=O)O)N","DSQHYQZBKPIFIF-UHFFFAOYSA-N",325414,NA,"PDBC52430","294149","Present",NA,NA
+"52431","S-(3-Ethyl-2,5-dioxo-1-pyrrolidinyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(3-Ethyl-2,5-dioxo-1-pyrrolidinyl)cysteine",NA,"CCC1CC(=O)N(C1=O)SCC(C(=O)O)N","RDZLYOIFGCWYEV-UHFFFAOYSA-N",262556,NA,"PDBC52431","96396","Present",NA,NA
+"52432","S-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(3-Methyl-2,5-dioxo-3-pyrrolidinyl)cysteine",NA,"CC1(CC(=O)NC1=O)SCC(C(=O)O)N","UTXWCUTZQFLTQJ-UHFFFAOYSA-N",375571,NA,"PDBC52432","655358","Present",NA,NA
+"52433","S-(4,5-Dihydro-1H-imidazol-2-yl) naphthalene-1-carbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(4,5-Dihydro-1H-imidazol-2-yl) naphthalene-1-carbothioate",NA,"C1CN=C(N1)SC(=O)C2=CC=CC3=CC=CC=C32","IJUFOGYTKJPQBU-UHFFFAOYSA-N",389915,NA,"PDBC52433","686566","Present",NA,NA
+"52434","S-(4-(((4-Chlorophenyl)(dioxido)sulfanyl)thio)butyl) 4-chlorobenzenesulfonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(4-(((4-Chlorophenyl)(dioxido)sulfanyl)thio)butyl) 4-chlorobenzenesulfonothioate",NA,"C1=CC(=CC=C1S(=O)(=O)SCCCCSS(=O)(=O)C2=CC=C(C=C2)Cl)Cl","QCNGWZHGHASCOX-UHFFFAOYSA-N",281442,NA,"PDBC52434","134227","Present",NA,NA
+"52435","S-(4-Benzoylbenzyl)-N-(tert-butoxycarbonyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(4-Benzoylbenzyl)-N-(tert-butoxycarbonyl)cysteine",NA,"CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)O","JEFUTBWRCLLDDI-UHFFFAOYSA-N",384901,NA,"PDBC52435","675589","Present",NA,NA
+"52436","S-(4-Chlorophenyl) methanesulfonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(4-Chlorophenyl) methanesulfonothioate",NA,"CS(=O)(=O)SC1=CC=C(C=C1)Cl","HRDUILPJXCHZPN-UHFFFAOYSA-N",237181,NA,"PDBC52436","40484","Present",NA,NA
+"52437","S-(4-Iodobenzyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(4-Iodobenzyl)cysteine",NA,"C1=CC(=CC=C1CSCC(C(=O)O)N)I","HTQDGUXVWLEMQW-UHFFFAOYSA-N",236951,NA,"PDBC52437","40016","Present",NA,NA
+"52438","S-(4-Methoxyphenyl) 4-methoxybenzenesulfonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UVFDAEOUCRNSKO-UHFFFAOYSA-N",NA,"COC1=CC=C(C=C1)SS(=O)(=O)C2=CC=C(C=C2)OC","UVFDAEOUCRNSKO-UHFFFAOYSA-N",363177,NA,"PDBC52438","627781","Present",NA,NA
+"52439","S-(4-Methylphenyl) 4-(cyclohexylamino)-2-thioxo-1,3-diazaspiro[4.5]dec-3-ene-1-carbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(4-Methylphenyl) 4-(cyclohexylamino)-2-thioxo-1,3-diazaspiro[4.5]dec-3-ene-1-carbothioate",NA,"CC1=CC=C(C=C1)SC(=O)N2C(=S)NC(=NC3CCCCC3)C24CCCCC4","YDTXDAOLZRSJIJ-UHFFFAOYSA-N",135409101,NA,"PDBC52439","657960","Present",NA,NA
+"52440","S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(2,4-dichloro-5-me thylphenylsulfonyl)-4-methylbenzothiohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(2,4-dichloro-...",NA,"CC1=CC=C(C=C1)C(=NNS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)Cl)SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N","QSPFHNXYCCBBGY-QYQHSDTDSA-N",23625287,NA,"PDBC52440","728500","Present",NA,NA
+"52441","S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(4-chlorophenylsul fonyl)-4-chlorobenzothio-hydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(4-chloropheny...",NA,"CC1=CC(=C(C=C1Cl)SC(=NNS(=O)(=O)C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)S(=O)(=O)N","UNRBHSNPQBRALC-QQTULTPQSA-N",23625139,NA,"PDBC52441","731389","Present",NA,NA
+"52442","S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(4-nitrophenylsulf onyl)-4-methyl-benzothiohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-(4-nitrophenyl...",NA,"CC1=CC=C(C=C1)C(=NNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])SC3=C(C=C(C(=C3)Cl)C)S(=O)(=O)N","GUOWZEZAKFJTHZ-FLFQWRMESA-N",23625289,NA,"PDBC52442","728499","Present",NA,NA
+"52443","S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-2,4-dichloro-5-met hylphenylsulfonyl)-4-chlorobenzothiohydrazonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(5-Chloro-4-methyl-2-sulfamoylphenyl)-N-2,4-dichloro-5...",NA,"CC1=CC(=C(C=C1Cl)SC(=NNS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)Cl)C3=CC=C(C=C3)Cl)S(=O)(=O)N","PXKXHFOJKHSCAO-MEFGMAGPSA-N",23625290,NA,"PDBC52443","731390","Present",NA,NA
+"52444","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-furancarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-furancarbothioate",NA,"C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CO5","NYWQABGAAHXFHX-UHFFFAOYSA-N",383066,NA,"PDBC52444","671110","Present",NA,NA
+"52445","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-methyl-2-phenoxypropanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-methyl-2-phenoxypropanethioate",NA,"CC(C)(C(=O)SC1=C(C(=O)N(C(=S)N1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)OC5=CC=CC=C5","NVSUAFQQCJNPQF-UHFFFAOYSA-N",383061,NA,"PDBC52445","671105","Present",NA,NA
+"52446","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-thiophenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 2-thiophenecarbothioate",NA,"C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CS5","NLZIXJGORZCLDB-UHFFFAOYSA-N",383065,NA,"PDBC52446","671109","Present",NA,NA
+"52447","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-chlorobenzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-chlorobenzenecarbothioate",NA,"C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=C(C=C5)Cl","SITUQQOMTQNTHB-UHFFFAOYSA-N",383064,NA,"PDBC52447","671108","Present",NA,NA
+"52448","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-methoxybenzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) 4-methoxybenzenecarbothioate",NA,"COC1=CC=C(C=C1)C(=O)SC2=C(C(=O)N(C(=S)N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5","HLSLOFLLOQGHHK-UHFFFAOYSA-N",383063,NA,"PDBC52448","671107","Present",NA,NA
+"52449","S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) benzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(6-Oxo-1,3,5-triphenyl-2-thioxo-1,2,3,6-tetrahydro-4-pyrimidinyl) benzenecarbothioate",NA,"C1=CC=C(C=C1)C2=C(N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CC=C5","RVNJSEKLTWFQPM-UHFFFAOYSA-N",383062,NA,"PDBC52449","671106","Present",NA,NA
+"52450","S-(9H-Fluoren-9-yl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(9H-Fluoren-9-yl)cysteine",NA,"C1=CC=C2C(=C1)C(C3=CC=CC=C32)SCC(C(=O)O)N","KZPJGVYMBWYDMV-UHFFFAOYSA-N",275520,NA,"PDBC52450","122405","Present",NA,NA
+"52451","S-(Diethylarsino)-3-mercapto-1,2-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(diethylarsino)-3-mercapto-1,2-propanediol",NA,"CC[As](CC)SCC(CO)O","NTRDIXNRWQASAZ-UHFFFAOYSA-N",406476,NA,"PDBC52451","724597","Present",NA,NA
+"52452","S-(Diisopropylarsino)-3-mercapto-1,2-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(diisopropylarsino)-3-mercapto-1,2-propanediol",NA,"CC(C)[As](C(C)C)SCC(CO)O","BKAVMIAREOTDPR-UHFFFAOYSA-N",406478,NA,"PDBC52452","724599","Present",NA,NA
+"52453","S-(Dimethylarsino)-3-mercapto-1,2-propanediol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(dimethylarsino)-3-mercapto-1,2-propanediol",NA,"C[As](C)SCC(CO)O","FVXVTPBIFULFRU-UHFFFAOYSA-N",406475,NA,"PDBC52453","724596","Present",NA,NA
+"52454","S-(Dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-phenylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(dimethylarsino)-3-mercapto-1,2-propyl di-2-chloro-2-p...",NA,"C[As](C)SCC(COC(=O)C(C1=CC=CC=C1)Cl)OC(=O)C(C2=CC=CC=C2)Cl","SNSGULBHZHJFPY-UHFFFAOYSA-N",406482,NA,"PDBC52454","724603","Present",NA,NA
+"52455","S-(Dimethylarsino)-3-mercapto-1,2-propyl diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(dimethylarsino)-3-mercapto-1,2-propyl diacetate",NA,"CC(=O)OCC(CS[As](C)C)OC(=O)C","WOCSEHQYFVWGTQ-UHFFFAOYSA-N",406479,NA,"PDBC52455","724600","Present",NA,NA
+"52456","S-(Dimethylarsino)-3-mercapto-1,2-propyl dibenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(dimethylarsino)-3-mercapto-1,2-propyl dibenzoate",NA,"C[As](C)SCC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2","VYMIUTJJAODVSX-UHFFFAOYSA-N",406481,NA,"PDBC52456","724602","Present",NA,NA
+"52457","S-(Dimethylarsino)-3-mercapto-1,2-propyl dinonanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(dimethylarsino)-3-mercapto-1,2-propyl dinonanoate",NA,"CCCCCCCCC(=O)OCC(CS[As](C)C)OC(=O)CCCCCCCC","QKXQMXJWKTXCJW-UHFFFAOYSA-N",406480,NA,"PDBC52457","724601","Present",NA,NA
+"52458","S-(Dioxido(phenyl)sulfanyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(Dioxido(phenyl)sulfanyl)cysteine",NA,"C1=CC=C(C=C1)S(=O)(=O)SCC(C(=O)O)N","YKYWKTOUPAICGF-UHFFFAOYSA-N",379491,NA,"PDBC52458","664152","Present",NA,NA
+"52459","S-(N-Hydroxy N-methylcarbamoyl) glutathione [glycyl]-O-ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(N-hydroxy N-methylcarbamoyl) glutathione [glycyl]-O-e...",NA,"CCOC(=O)CNC(=O)C(CSC(=O)N(C)O)NC(=O)CCC(C(=O)O)N.CC(=O)O","SPAJIBXZQMWJOA-UHFFFAOYSA-N",372115,NA,"PDBC52459","647037","Present",NA,NA
+"52460","S-(N-Hydroxy N-methylcarbamoyl)-glutathione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(N-hydroxy N-methylcarbamoyl)-glutathione",NA,"CC(=O)O.CN(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O","IZORHBICPPIBTR-UHFFFAOYSA-N",372113,NA,"PDBC52460","647036","Present",NA,NA
+"52461","S-(N-Methylcarbamoyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(N-methylcarbamoyl)cysteine",NA,"CNC(=O)SCC(C(=O)O)N","OCFIRCHPJWLACG-UHFFFAOYSA-N",363176,NA,"PDBC52461","627780","Present",NA,NA
+"52462","S-(N-methylcarbamoyl)glutathione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(N-methylcarbamoyl)glutathione",NA,"CNC(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","ROWIKVIWEBGFSY-UHFFFAOYSA-N",363175,NA,"PDBC52462","627779","Present",NA,NA
+"52463","S-(Tert-Butyl) 4-methylbenzenesulfonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D38O9IQK3G",NA,"CC1=CC=C(C=C1)S(=O)(=O)SC(C)(C)C","DWUPUYSPVAQOBQ-UHFFFAOYSA-N",334893,NA,"PDBC52463","342017","Present",NA,NA
+"52464","S-(Tris(4-methoxyphenyl)methyl)cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-(Tris(4-methoxyphenyl)methyl)cysteine",NA,"COC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)SCC(C(=O)O)N","SQSXVIUUCXLCSR-UHFFFAOYSA-N",379647,NA,"PDBC52464","664407","Present",NA,NA
+"52465","S-2-Ketopentadecyl Coenzyme A, Sodium Salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-2-Ketopentadecyl Coenzyme A, Sodium Salt",NA,"CCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O.[Na+]","CKJXZCVSGMPTDR-ZQGDKKGGSA-N",54602081,NA,"PDBC52465","618486","Present",NA,NA
+"52466","S-49076 Analog (derivative)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-49076",NA,"C1COCCN1CC2=CNC(=C2)C=C3C4=C(C=CC(=C4)CN5CCOC5=O)NC3=O","AEKWTDDJNINWDU-ODLFYWEKSA-N",66636377,NA,"PDBC52466","765672","Present",NA,NA
+"52467","S-63845",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-63845",NA,"CC1=C(C=CC(=C1Cl)OCCN2CCN(CC2)C)C3=C(SC4=NC=NC(=C34)OC(CC5=CC=CC=C5OCC6=CC=NN6CC(F)(F)F)C(=O)O)C7=CC=C(O7)F","ZFBHXVOCZBPADE-SSEXGKCCSA-N",122197581,NA,"PDBC52467","798846","Present",NA,NA
+"52468","S-64315",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-64315",NA,"CC1=C(C=CC(=C1Cl)OCCN2CCN(CC2)C)C3=C(SC4=NC=NC(=C34)OC(CC5=CC=CC=C5OCC6=NC(=NC=C6)C7=CC=CC=C7OC)C(=O)O)C8=CC=C(C=C8)F","PKYIMGFMRFVOMB-LDLOPFEMSA-N",118157243,NA,"PDBC52468","809971","Present",NA,NA
+"52469","S-Adenosyl-(5')-1,8-diamino-3-thiooctane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Adenosyl-(5')-1,8-diamino-3-thiooctane",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSC(CCCCCN)CCN)O)O)N","YETXSQDQSWLLJR-UHFFFAOYSA-N",338863,NA,"PDBC52469","363232","Present",NA,NA
+"52470","S-Allyl ethanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Allylthioacetate",NA,"CC(=O)SCC=C","MIRAUQNBKACECA-UHFFFAOYSA-N",355644,NA,"PDBC52470","609696","Present",NA,NA
+"52471","S-Allylthio 6mercaptopurine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-allylthio 6mercaptopurine",NA,"C=CCSSC1C2=C(NC=N1)N=CN2","YJUPROCVQPJJRN-UHFFFAOYSA-N",54613414,NA,"PDBC52471","748642","Present",NA,NA
+"52472","S-Allylthio mercaptopurine riboside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-allylthio mercaptopurine riboside",NA,"C=CCSSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O","UPMVDGSUFKTPMZ-UHFFFAOYSA-N",54613413,NA,"PDBC52472","748641","Present",NA,NA
+"52473","S-Benzoylcysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Benzoylcysteine",NA,"C1=CC=C(C=C1)C(=O)SCC(C(=O)O)N","OWZIPHGMKGSDNS-UHFFFAOYSA-N",262741,NA,"PDBC52473","96678","Present",NA,NA
+"52474","S-Benzyl 4-methylbenzenesulfonothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-BENZYL P-TOLUENETHIOSULFONATE",NA,"CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC=C2","AJHXMWXYVYOBQI-UHFFFAOYSA-N",276623,NA,"PDBC52474","124784","Present",NA,NA
+"52475","S-Benzyl S'-(3-oxo-3-m-tolyl-prop-1-en-1-yl) cyanimidodithiocarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Benzyl S'-(3-oxo-3-m-tolyl-prop-1-en-1-yl) cyanimidodi...",NA,"CC1=CC(=CC=C1)C(=O)C=CSC(=NC#N)SCC2=CC=CC=C2","PNRQPBLLIOPXRQ-OCSQOWRYSA-N",9572733,NA,"PDBC52475","725058","Present",NA,NA
+"52476","S-Butyl N-octylcarbamothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Butyl N-octylcarbamothioate",NA,"CCCCCCCCNC(=O)SCCCC","USVQWVUNYYEPHU-UHFFFAOYSA-N",362882,NA,"PDBC52476","627354","Present",NA,NA
+"52477","S-Carbamyl-DL-homocysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Carbamyl-DL-homocysteine",NA,"C(CSC(=O)N)C(C(=O)O)N","XKDPGKIUOGWBKL-UHFFFAOYSA-N",376747,NA,"PDBC52477","657801","Present",NA,NA
+"52478","S-DL-2-Bromotetradecanoyl Coenzyme A, Sodium Salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-DL-2-Bromotetradecanoyl Coenzyme A, Sodium Salt",NA,"CCCCCCCCCCCCC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)Br.[Na+]","FABBEKUPSYIMFL-VCVZYKBSSA-N",54608043,NA,"PDBC52478","619027","Present",NA,NA
+"52479","S-Decyl p-toluenethiosulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-decyl p-toluenethiosulfonate",NA,"CCCCCCCCCCSS(=O)(=O)C1=CC=C(C=C1)C","BJWRHSVAOWXOSZ-UHFFFAOYSA-N",97461,NA,"PDBC52479","124770","Present",NA,NA
+"52480","S-Deoxo-(R)-sparasomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Deoxo-(R)-sparasomycin",NA,"CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CSCSC","LJFIHLCSTKGOGE-ONEGZZNKSA-N",5458438,NA,"PDBC52480","212568","Present",NA,NA
+"52481","S-Dichlorovinyl-L-cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DCVC",NA,"C(C(C(=O)O)N)SC(=CCl)Cl","PJIHCWJOTSJIPQ-DAFODLJHSA-N",5473611,NA,"PDBC52481","15830","Present",NA,NA
+"52482","S-Dimethoxytritylmercaptoethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Dimethoxytritylmercaptoethanol",NA,"COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)OC)SCCO","YFOPZJSUVYFWLU-UHFFFAOYSA-N",399497,NA,"PDBC52482","710358","Present",NA,NA
+"52483","S-Dimethylarsinogluthaione, pyridinium hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"darinaparsin pyridinium hyrochloride",NA,"C[As](C)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N.C1=CC=NC=C1.Cl","WHZWHJPOVYZZDR-UHFFFAOYSA-N",405069,NA,"PDBC52483","721951","Present",NA,NA
+"52484","S-Ethyl 2-cyano-6-methoxy-1(2H)-quinolinecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1(2H)-Quinolinecarbothioic acid, 2-cyano-6-methoxy-, S-e...",NA,"CCSC(=O)N1C(C=CC2=C1C=CC(=C2)OC)C#N","RRBZCSKOQKCQJF-UHFFFAOYSA-N",296105,NA,"PDBC52484","165897","Present",NA,NA
+"52485","S-Ethyl 2-methyl-3-oxooctahydro-1-benzofuran-2-carbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Ethyl 2-methyl-3-oxooctahydro-1-benzofuran-2-carbothioate",NA,"CCSC(=O)C1(C(=O)C2CCCCC2O1)C","QLFKSVDJEQAUTM-UHFFFAOYSA-N",362783,NA,"PDBC52485","627060","Present",NA,NA
+"52486","S-Hexadecyl methanethiosulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Hexadecyl methanethiosulfonate",NA,"CCCCCCCCCCCCCCCCSS(=O)(=O)C","GIJWOCGDZZKJAD-UHFFFAOYSA-N",97458,NA,"PDBC52486","124764","Present",NA,NA
+"52487","S-Methyl (2Z)-2-[(5Z)-5-(2-methylsulfanyl-2-oxoethylidene)-1,2,4-trithiolan-3-ylidene]ethanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethanethioic acid, 2,2'-(1,2,4-trithiolan- 3,5-diylidene...",NA,"CSC(=O)C=C1SC(=CC(=O)SC)SS1","AKKALYDXRQVGOK-VHOZIDCHSA-N",5468853,NA,"PDBC52487","677907","Present",NA,NA
+"52488","S-Methyl 4-hydroxy-2-(methylthio)-3-phenyl-1,3lambda~5~-thiazole-5-carbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Methyl 4-hydroxy-2-(methylthio)-3-phenyl-1,3lambda~5~-thiazole-5-carbothioate",NA,"CSC1=[N+](C(=C(S1)C(=O)SC)O)C2=CC=CC=C2","UXJRSCAVNNBOAT-UHFFFAOYSA-O",381566,NA,"PDBC52488","668355","Present",NA,NA
+"52489","S-Methyl S'-(3-naphth-1-yl-3-oxo-prop-1-en-1-yl) cyanimidodithiocarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Methyl S'-(3-naphth-1-yl-3-oxo-prop-1-en-1-yl) cyanimi...",NA,"CSC(=NC#N)SC=CC(=O)C1=CC=CC2=CC=CC=C21","QLWCLXSQTYEDPY-TXDNOQHQSA-N",9572732,NA,"PDBC52489","725057","Present",NA,NA
+"52490","S-Methyl S'-(3-oxo-3-phenyl-prop-1-en-1-yl) cyan-imidodithiocarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Methyl S'-(3-oxo-3-phenyl-prop-1-en-1-yl) cyan-imidodi...",NA,"CSC(=NC#N)SC=CC(=O)C1=CC=CC=C1","CJNJNNWNMMJZQB-BAHDFAMRSA-N",9572734,NA,"PDBC52490","725067","Present",NA,NA
+"52491","S-Methyl methanethiosulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methanesulfonothioic acid, S-methyl ester (9CI)",NA,"CSS(=O)(=O)C","XYONNSVDNIRXKZ-UHFFFAOYSA-N",18064,NA,"PDBC52491","21545","Present",NA,NA
+"52492","S-N-(Phenethylthiocarbamoyl)-L-glutathione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-N-(Phenethylthiocarbamoyl)-L-glutathione",NA,"CC1=CC=C(C=C1)CCNC(=S)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N","BFMSDLIJECEVBE-UHFFFAOYSA-N",3843668,NA,"PDBC52492","642704","Present",NA,NA
+"52493","S-Octyl butylthiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamothioic acid, butyl-, S-octyl ester",NA,"CCCCCCCCSC(=O)NCCCC","QQCRJBAXCMQBLQ-UHFFFAOYSA-N",362881,NA,"PDBC52493","627353","Present",NA,NA
+"52494","S-Phenyl 3-(4-(bis(2-cyanoethyl)amino)-2-methylphenyl)-2-(cinnamoylamino)-3-(phenylthio)-2-propenethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Phenyl (E)-3-[4-[bis(2-cyanoethyl)amino]-2-methylphenyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]-3-phenylsulfanylprop-2-enethioate",NA,"CC1=C(C=CC(=C1)N(CCC#N)CCC#N)C(=C(C(=O)SC2=CC=CC=C2)NC(=O)C=CC3=CC=CC=C3)SC4=CC=CC=C4","ISKZJAMQSKIRFW-IZBGKCANSA-N",6477347,NA,"PDBC52494","645678","Present",NA,NA
+"52495","S-Phenyl 3-(4-(bis(2-cyanoethyl)amino)phenyl)-2-((2-chloro-5-(hydroxy(oxido)amino)benzoyl)amino)-3-(phenylthio)propanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Phenyl 3-[4-[bis(2-cyanoethyl)amino]phenyl]-2-[(2-chloro-5-nitrobenzoyl)amino]-3-phenylsulfanylpropanethioate",NA,"C1=CC=C(C=C1)SC(C2=CC=C(C=C2)N(CCC#N)CCC#N)C(C(=O)SC3=CC=CC=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl","UVCFIPGIXHLURX-UHFFFAOYSA-N",369126,NA,"PDBC52495","640674","Present",NA,NA
+"52496","S-Trityl-D-cysteine methyl ester hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(R)-Methyl 2-amino-3-(tritylthio)propanoate hydrochloride",NA,"COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N.Cl","BBLIVDURNAQWLB-UHFFFAOYSA-N",24199543,NA,"PDBC52496","333329","Present",NA,NA
+"52497","S-Vinyl-DL-homocysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-Vinylhomocysteine",NA,"C=CSCCC(C(=O)O)N","ZDASADFVRGVYFK-UHFFFAOYSA-N",55145,NA,"PDBC52497","642477","Present",NA,NA
+"52498","S-[(1,2-Benzisothiazol-2(3H)-yl)methyl] O-ethyl dithiocarbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)methyl...",NA,"CCOC(=S)SCN1C(=O)C2=CC=CC=C2S1(=O)=O","LCVTVGXXRGWOGW-UHFFFAOYSA-N",16072465,NA,"PDBC52498","735184","Present",NA,NA
+"52499","S-[(2R,3R)-2,3-Dicyclohexyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[(2R,3R)-2,3-Dicyclohexyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate",NA,"C1CCC(CC1)C2C(OC3(O2)C=CC(=O)CC3SC(=O)C4=CC=CC=C4)C5CCCCC5","STDVYXCKSZTSQL-OPWSDZRHSA-N",404478,NA,"PDBC52499","720710","Present",NA,NA
+"52500","S-[(2R,3R)-8-Oxo-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[(2R,3R)-8-Oxo-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate",NA,"C1C(C2(C=CC1=O)OC(C(O2)C3=CC=CC=C3)C4=CC=CC=C4)SC(=O)C5=CC=CC=C5","DCHHJPQHOLRHPT-OPWSDZRHSA-N",404474,NA,"PDBC52500","720706","Present",NA,NA
+"52501","S-[(2S,3S)-2,3-Bis[(2-methoxyphenyl)methyl]-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[(2S,3S)-2,3-Bis[(2-methoxyphenyl)methyl]-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate",NA,"COC1=CC=CC=C1CC2C(OC3(O2)C=CC(=O)CC3SC(=O)C4=CC=CC=C4)CC5=CC=CC=C5OC","IOFKSFCGQXUKRT-ASYYUYISSA-N",404476,NA,"PDBC52501","720708","Present",NA,NA
+"52502","S-[(2S,3S)-2,3-Dibenzyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[(2S,3S)-2,3-Dibenzyl-8-oxo-1,4-dioxaspiro[4.5]dec-9-en-6-yl] benzenecarbothioate",NA,"C1C(C2(C=CC1=O)OC(C(O2)CC3=CC=CC=C3)CC4=CC=CC=C4)SC(=O)C5=CC=CC=C5","QQTHBGCALKKUCN-TXIPYEPDSA-N",404475,NA,"PDBC52502","720707","Present",NA,NA
+"52503","S-[2-(2-Hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)ethyl] ethanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[2-(2-Hydroxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl)ethyl] ethanethioate",NA,"CC(=O)SCCC1C2=C(CCN1O)C3=CC=CC=C3N2","WFVXEFBRWNUGOG-UHFFFAOYSA-N",363006,NA,"PDBC52503","627545","Present",NA,NA
+"52504","S-[2-[(4-Chlorophenyl)carbamoyl]phenyl] propanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanethioic acid, S-[2-[[(4-chlorophenyl)amino]carbony...",NA,"CCC(=O)SC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)Cl","KCOYXSPZCXGDKK-UHFFFAOYSA-N",332046,NA,"PDBC52504","327683","Present",NA,NA
+"52505","S-[2-[2-[2-[2-[2-[(2-Benzoylsulfanylacetyl)amino]-5-methoxyphenyl]sulfanylethyldisulfanyl]ethylsulfanyl]-4-methoxyanilino]-2-oxoethyl] benzenecarbothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[2-[2-[2-[2-[2-[(2-Benzoylsulfanylacetyl)amino]-5-methoxyphenyl]sulfanylethyldisulfanyl]ethylsulfanyl]-4-methoxyanilino]-2-oxoethyl] benzenecarbothioate",NA,"COC1=CC(=C(C=C1)NC(=O)CSC(=O)C2=CC=CC=C2)SCCSSCCSC3=C(C=CC(=C3)OC)NC(=O)CSC(=O)C4=CC=CC=C4","LSYSTZFQOSIIIY-UHFFFAOYSA-N",403667,NA,"PDBC52505","718742","Present",NA,NA
+"52506","S-[3-Diphenoxyphosphoryl-3-(phenylcarbamothioylamino)propyl] ethanethioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[3-Diphenoxyphosphoryl-3-(phenylcarbamothioylamino)propyl] ethanethioate",NA,"CC(=O)SCCC(NC(=S)NC1=CC=CC=C1)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3","OLKNURINDSYURV-UHFFFAOYSA-N",3005063,NA,"PDBC52506","669645","Present",NA,NA
+"52507","SANT-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SANT-1",NA,"CC1=C(C(=NN1C2=CC=CC=C2)C)C=NN3CCN(CC3)CC4=CC=CC=C4","FOORCIAZMIWALX-JJIBRWJFSA-N",6878030,NA,"PDBC52507","731871","Present",NA,NA
+"52508","SAPELIN A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SAPELIN A",NA,"CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(C(OC5)C(C)(C)O)O)C)C)C)O)C","YHJGJKRPDMVIKU-UHFFFAOYSA-N",320908,NA,"PDBC52508","270046","Present",NA,NA
+"52509","SAPELIN B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SAPELIN B",NA,"CC1(C(CCC2(C1CC=C3C2CCC4(C3(CCC4C5CC(C(C(OC5)(C)C)O)O)C)C)C)O)C","NIFGYDXBCZOSPH-UHFFFAOYSA-N",320909,NA,"PDBC52509","270047","Present",NA,NA
+"52510","SAR-125844",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SAR-125844",NA,"C1COCCN1CCNC(=O)NC2=NC3=C(S2)C=C(C=C3)SC4=NN=C5N4N=C(C=C5)C6=CC=C(C=C6)F","ODIUNTQOXRXOIV-UHFFFAOYSA-N",25182860,NA,"PDBC52510","771652","Present",NA,NA
+"52511","SAR-20347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SAR-20347",NA,"C1COCCN1C(=O)C2=CC=C(C=C2)NC3=C(N=C(O3)C4=C(C=CC=C4Cl)F)C(=O)N","HEDPDFHTQKEORT-UHFFFAOYSA-N",71727668,NA,"PDBC52511","798517","Present",NA,NA
+"52512","SAR-439859",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SAR-439859",NA,"C1CC2=C(C=CC(=C2)C(=O)O)C(=C(C1)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OC5CCN(C5)CCCF","KISZAGQTIXIVAR-VWLOTQADSA-N",130232326,NA,"PDBC52512","827675","Present",NA,NA
+"52513","SAXXWQJHVLCOKN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SAXXWQJHVLCOKN-UHFFFAOYSA-N",NA,"CC(C)C1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N","SAXXWQJHVLCOKN-UHFFFAOYSA-N",387808,NA,"PDBC52513","681880","Present",NA,NA
+"52514","SB-210313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-210313",NA,"C1COCCN1CCCN2C=NC(=C2C3=CC=NC=C3)C4=CC=C(C=C4)F","ANWALZPQHPAZFO-UHFFFAOYSA-N",9885504,NA,"PDBC52514","756414","Present",NA,NA
+"52515","SB-216385",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-216385",NA,"C1COCCN1CCCN2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F","JDDSPCRIJZRHBB-UHFFFAOYSA-N",9800117,NA,"PDBC52515","756415","Present",NA,NA
+"52516","SB-220455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-220455",NA,"CN1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F","SVRAGOOKTLUHES-UHFFFAOYSA-N",22464113,NA,"PDBC52516","756418","Present",NA,NA
+"52517","SB-221466",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-221466",NA,"CC1(CC(CC(N1)(C)C)N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F)C","QQJUCFIPZAVTEU-UHFFFAOYSA-N",10475737,NA,"PDBC52517","756419","Present",NA,NA
+"52518","SB-223133",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-223133",NA,"C1CC(CCC1N2C=NC(=C2C3=NC(=NC=C3)N)C4=CC=C(C=C4)F)O","YNEJNUAUXPCFAS-UHFFFAOYSA-N",22464120,NA,"PDBC52518","756420","Present",NA,NA
+"52519","SB-226879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-226879",NA,"CN1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)NCCO)C4=CC=C(C=C4)F","XKOQKLFWCLUSAU-UHFFFAOYSA-N",44329036,NA,"PDBC52519","756421","Present",NA,NA
+"52520","SB-236687",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-236687",NA,"CN1CCC(CC1)N2C=NC(=C2C3=NC(=NC=C3)NC4=CC=CC=C4)C5=CC=C(C=C5)F","DOJXCIZDAFPMQV-UHFFFAOYSA-N",17892742,NA,"PDBC52520","756422","Present",NA,NA
+"52521","SB-239272",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-239272",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=CC=C4)C5=CC=C(C=C5)F","MLNSFBMGRWGGII-UHFFFAOYSA-N",15872388,NA,"PDBC52521","756423","Present",NA,NA
+"52522","SB-242717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-242717",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)F)C5=CC=C(C=C5)F","XRMIXMGGCDFGRF-UHFFFAOYSA-N",9910722,NA,"PDBC52522","756424","Present",NA,NA
+"52523","SB-242718",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-242718",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)C(=O)N)C5=CC=C(C=C5)F","NRSWDNMMJZYTGV-UHFFFAOYSA-N",9890357,NA,"PDBC52523","756425","Present",NA,NA
+"52524","SB-242719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-242719",NA,"CCC1=CC=C(C=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F","GLWRGNCTKNNGMV-UHFFFAOYSA-N",10321190,NA,"PDBC52524","756426","Present",NA,NA
+"52525","SB-242721",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-242721",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)C#N)C5=CC=C(C=C5)F","JQHSODWZKVGCLV-UHFFFAOYSA-N",15872391,NA,"PDBC52525","756427","Present",NA,NA
+"52526","SB-245392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-245392",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)OC5=CC=CC=C5)C6=CC=C(C=C6)F","QESOEGOVASIYOF-UHFFFAOYSA-N",15872400,NA,"PDBC52526","756428","Present",NA,NA
+"52527","SB-250715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-250715",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC5=C(C=C4)OCO5)C6=CC=C(C=C6)F","OYUMKIMOEUHNPB-UHFFFAOYSA-N",15872403,NA,"PDBC52527","756429","Present",NA,NA
+"52528","SB-251505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-251505",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC(=CC=C4)F)C5=CC=C(C=C5)F","AKMVOBFZFANXPT-UHFFFAOYSA-N",15872404,NA,"PDBC52528","756430","Present",NA,NA
+"52529","SB-251527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-251527",NA,"COC1=CC=CC=C1OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F","RGWJYCCSHANDCO-UHFFFAOYSA-N",15872406,NA,"PDBC52529","756431","Present",NA,NA
+"52530","SB-253226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-253226",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=CC(=C4)C(F)(F)F)C5=CC=C(C=C5)F","INPGJMSTKSQOMI-UHFFFAOYSA-N",15872407,NA,"PDBC52530","756432","Present",NA,NA
+"52531","SB-253228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-253228",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC(=C(C=C4)F)F)C5=CC=C(C=C5)F","HIPGWLDSFHGAAY-UHFFFAOYSA-N",15872408,NA,"PDBC52531","756433","Present",NA,NA
+"52532","SB-254169",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-254169",NA,"CS(=O)(=O)C1=CC=C(C=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F","NCIAOAAFFQTLIX-UHFFFAOYSA-N",15872409,NA,"PDBC52532","756434","Present",NA,NA
+"52533","SB-264865",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-264865",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=CC=C4CC(=O)N)C5=CC=C(C=C5)F","IZZFCONHZHYYET-UHFFFAOYSA-N",53239985,NA,"PDBC52533","756435","Present",NA,NA
+"52534","SB-264866",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-264866",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=CC=C4CCC(=O)N)C5=CC=C(C=C5)F","XLIWJFSCQYQXAI-UHFFFAOYSA-N",53239984,NA,"PDBC52534","756436","Present",NA,NA
+"52535","SB-278538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-278538",NA,"CC(C)(C)C1=CC=C(C=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F","ILMZGRFZRBXPAP-UHFFFAOYSA-N",18536613,NA,"PDBC52535","756437","Present",NA,NA
+"52536","SB-278539",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-278539",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F","ZTUCRQHYVRNKFG-UHFFFAOYSA-N",18536627,NA,"PDBC52536","756438","Present",NA,NA
+"52537","SB-284847-BT",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-284847-BT",NA,"CC1=C(C(=CC=C1)OC2=NC=CC(=N2)C3=C(N=CN3C4CCNCC4)C5=CC=C(C=C5)F)C","YJNZNIAEANFDMJ-UHFFFAOYSA-N",18536630,NA,"PDBC52537","756439","Present",NA,NA
+"52538","SB-285234-W",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-285234-W",NA,"C1CNCCC1N2C=NC(=C2C3=NC(=NC=C3)OC4=CC=C(C=C4)C(=O)[O-])C5=CC=C(C=C5)F","RJAGYFWKFUIEGD-UHFFFAOYSA-M",53239982,NA,"PDBC52538","756440","Present",NA,NA
+"52539","SB-347804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-347804",NA,"C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C=C3)F)C#N","ONINFKOEYCCERZ-UHFFFAOYSA-N",579429,NA,"PDBC52539","756442","Present",NA,NA
+"52540","SB-400868-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-400868-A",NA,"C1CC2=NC(=C(N2C1)C3=CC4=C(C=C3)OCO4)C5=CC=CC=N5","MUYFXUIFVHSJSW-UHFFFAOYSA-N",10946675,NA,"PDBC52540","756449","Present",NA,NA
+"52541","SB-409513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-409513",NA,"C1=CC(=CC(=C1)Cl)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)Cl)C(=O)O","ONVZFCHLOZUXRP-UHFFFAOYSA-N",448008,NA,"PDBC52541","756450","Present",NA,NA
+"52542","SB-409514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-409514",NA,"C1=CC(=CC(=C1)Cl)C2=C(C(=O)NC2=O)NC3=CC(=C(C=C3)O)Cl","YYGKSMKAYKZSBC-UHFFFAOYSA-N",6539478,NA,"PDBC52542","756451","Present",NA,NA
+"52543","SB-431533",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-431533",NA,"C1OC2=C(O1)C=C(C=C2)C3=C(NC(=N3)C4=CC=C(C=C4)CO)C5=CC=CC=N5","OXDOLEPGFYPERU-UHFFFAOYSA-N",9951300,NA,"PDBC52543","756452","Present",NA,NA
+"52544","SB-437013",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-437013",NA,"CN1C(=C(N=C1C2=CC=C(C=C2)S(=O)C)C3=CC=NC=C3)C4=CC5=C(C=C4)C=C(C=C5)OC","GVSGFNAEUPRUIM-UHFFFAOYSA-N",44433171,NA,"PDBC52544","756454","Present",NA,NA
+"52545","SB-476429-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-476429-A",NA,"C1=CC(=CC=C1CN)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=C(C=C4)Cl)O","UOHHVCYLYIQXFG-UHFFFAOYSA-N",22185379,NA,"PDBC52545","756455","Present",NA,NA
+"52546","SB-590885-AAD",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-590885-AAD",NA,"CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5","MLSAQOINCGAULQ-QFMPWRQOSA-N",135421339,NA,"PDBC52546","756456","Present",NA,NA
+"52547","SB-610251-B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-610251-B",NA,"C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC(=CC=C4)O","KPDQHNUZQHJLSJ-UHFFFAOYSA-N",10638921,NA,"PDBC52547","756457","Present",NA,NA
+"52548","SB-614067-R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-614067-R",NA,"C1CNCCC1C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5","XUFXPPUENFNHAF-ZXVVBBHZSA-N",135555486,NA,"PDBC52548","756458","Present",NA,NA
+"52549","SB-630812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-630812",NA,"CC1=C(C=CC(=C1)S(=O)C)C2=NC(=C(N2C)C3=CC4=C(C=C3)C=C(C=C4)OC)C5=CC=NC=C5","BARYYLFEOIUPEY-UHFFFAOYSA-N",24180608,NA,"PDBC52549","756459","Present",NA,NA
+"52550","SB-633825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-633825",NA,"CC1=C(C=CC(=C1)S(=O)(=O)C)C2=NC(=C(N2C)C3=CC4=C(C=C3)C=C(C=C4)OC)C5=CC=NC=C5","ZDSNJSQTPLXCSG-UHFFFAOYSA-N",44433173,NA,"PDBC52550","756460","Present",NA,NA
+"52551","SB-657836-AAA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-657836-AAA",NA,"C1CCC2=C(C1)C(=C(S2)NC(=O)CN3CCOCC3)C#N","CWJNUEJVFIPZQN-UHFFFAOYSA-N",826287,NA,"PDBC52551","756461","Present",NA,NA
+"52552","SB-682330-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-682330-A",NA,"CN(C)CCOC1=CC=C(C=C1)C2=CC(=C(O2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5","MPEXJHMZOHYTRP-URGPHPNLSA-N",135547844,NA,"PDBC52552","756464","Present",NA,NA
+"52553","SB-686709-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-686709-A",NA,"CCN1CCC(CC1)C(=O)NC2=NNC3=NN=C(C=C32)C4=C(C(=CC=C4)F)F","XMLJBPQUTWBABY-UHFFFAOYSA-N",6539563,NA,"PDBC52553","756465","Present",NA,NA
+"52554","SB-698596-AC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-698596-AC",NA,"CCN1CCC(CC1)CC(=O)NC2=NNC3=NN=C(C=C32)C4=C(C(=CC=C4)F)F","OGFGCRFMUGVFGM-UHFFFAOYSA-N",6539564,NA,"PDBC52554","756466","Present",NA,NA
+"52555","SB-711237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-711237",NA,"COC1=CC=C(C=C1)C2=NC3=C(C=C2)C(=NN3)NC(=O)C4CC4","CFMHJOOAJUEZAN-UHFFFAOYSA-N",6539567,NA,"PDBC52555","756467","Present",NA,NA
+"52556","SB-734117",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-734117",NA,"C1CCC(CC1)N2C3=C(C=NC=C3)N=C2C4=NON=C4N","JRYCXZUZWFHQPB-UHFFFAOYSA-N",44397032,NA,"PDBC52556","756472","Present",NA,NA
+"52557","SB-735465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-735465",NA,"C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=C(C=CC(=C4)F)F","UJERGWSOAWHUAX-UHFFFAOYSA-N",6539603,NA,"PDBC52557","756473","Present",NA,NA
+"52558","SB-735467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-735467",NA,"C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC=C(C=C4)F","FXJZPZMEETZHRB-UHFFFAOYSA-N",6539607,NA,"PDBC52558","756474","Present",NA,NA
+"52559","SB-736290",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-736290",NA,"CN1C2=C(C=NC=C2)N=C1C3=NON=C3N","OHBDLKLACOYJNL-UHFFFAOYSA-N",11680113,NA,"PDBC52559","756475","Present",NA,NA
+"52560","SB-736302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-736302",NA,"C1CC1N2C3=C(C=NC=C3)N=C2C4=NON=C4N","CTCKXCOHXZAARD-UHFFFAOYSA-N",44397250,NA,"PDBC52560","756476","Present",NA,NA
+"52561","SB-737198",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-737198",NA,"CCN1C2=C(C(=NC=C2)OCC)N=C1C3=NON=C3N","ATTRJLKUPUIICC-UHFFFAOYSA-N",44396990,NA,"PDBC52561","756477","Present",NA,NA
+"52562","SB-738482",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-738482",NA,"C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC=C(C=C4)S(=O)(=O)N","ZZTJLVZEYMOZSD-UHFFFAOYSA-N",6539597,NA,"PDBC52562","756478","Present",NA,NA
+"52563","SB-738561",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-738561",NA,"CCN1C2=C(C=CN=C2)N=C1C3=NON=C3N","XDQUYQKTDSDQRL-UHFFFAOYSA-N",44397010,NA,"PDBC52563","756479","Present",NA,NA
+"52564","SB-739452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-739452",NA,"C1CC1C(=O)NC2=NNC3=NC(=C(C=C32)Br)C4=CC=CO4","GVYKLTFFLMMUEN-UHFFFAOYSA-N",6539611,NA,"PDBC52564","756481","Present",NA,NA
+"52565","SB-741905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-741905",NA,"C1CC1C(=O)NC2=NNC3=C2C=CC(=C3)C4=CC(=CC=C4)S(=O)(=O)N","AXXSVTAXFAAJTE-UHFFFAOYSA-N",6539598,NA,"PDBC52565","756482","Present",NA,NA
+"52566","SB-743899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-743899",NA,"C1CC1C(=O)NC2=NNC3=C2C=CC(=N3)C4=CC=CO4","FJINJXZTEKDFRA-UHFFFAOYSA-N",6539592,NA,"PDBC52566","756485","Present",NA,NA
+"52567","SB-744941",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-744941",NA,"CCN1C2=C(C(=NC=C2)N3CCCC3)N=C1C4=NON=C4N","XXTCPTVXBKEROM-UHFFFAOYSA-N",44397201,NA,"PDBC52567","756486","Present",NA,NA
+"52568","SB-750140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-750140",NA,"C1=CC(=CC=C1CN)N2C3=C(C=NC=C3)N=C2C4=NON=C4N","AFDUEISTJMYVSO-UHFFFAOYSA-N",44397453,NA,"PDBC52568","756487","Present",NA,NA
+"52569","SB-751148",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-751148",NA,"CCC1=NC=CC2=C1N=C(N2CC)C3=NON=C3N","GMCZGAWPMLORCQ-UHFFFAOYSA-N",44397147,NA,"PDBC52569","756488","Present",NA,NA
+"52570","SB-751399",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-751399",NA,"CN(C)CCCN1C2=C(C=NC=C2)N=C1C3=NON=C3N","KFWBJWDHALYVMK-UHFFFAOYSA-N",44397710,NA,"PDBC52570","756489","Present",NA,NA
+"52571","SB-759335-B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-759335-B",NA,"CCN1C2=C(C=NC=C2C(=O)N3CCNCC3)N=C1C4=NON=C4N","CUAJADFGIOFJQT-UHFFFAOYSA-N",25023717,NA,"PDBC52571","756490","Present",NA,NA
+"52572","SB-772077-B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-772077-B",NA,"CCN1C2=C(C=NC=C2C(=O)N3CCC(C3)N)N=C1C4=NON=C4N","PHWHNHYZZNJPLB-QMMMGPOBSA-N",16095343,NA,"PDBC52572","756491","Present",NA,NA
+"52573","SB-814597",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SB-814597",NA,"C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=C(C4=CC=CC=C43)F)C#N","WTBQHGKQMCKGNX-UHFFFAOYSA-N",44431824,NA,"PDBC52573","756492","Present",NA,NA
+"52574","SC-21",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-21",NA,"CCCCCCCCCC(CCCC(CC(=O)O)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)C)OC(=O)C)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)OC(=O)CC(C)C)O)O","RUDJIQPCXRBNJF-UHFFFAOYSA-N",24205942,NA,"PDBC52574","737370","Present",NA,NA
+"52575","SC-24",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-24",NA,"CCCCCCCCCC(CCCC(CC(=O)O)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)C)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)O)O)O","WDRVTWMVHSLXIR-UHFFFAOYSA-N",24205940,NA,"PDBC52575","737368","Present",NA,NA
+"52576","SC-25",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-25",NA,"CCCCCCCCCC(CCCC(CC(=O)O)O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)C)O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)C)OC(=O)CC(C)C)O)O","NGBYHQPDYZVFJL-UHFFFAOYSA-N",24205941,NA,"PDBC52576","737369","Present",NA,NA
+"52577","SC-28992",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-28992",NA,"C1=CC=C(C(=C1)C(=O)C#CC2=CNC(=O)NC2=O)Cl","GZMIRCXQHWFEGW-UHFFFAOYSA-N",359099,NA,"PDBC52577","619675","Present",NA,NA
+"52578","SC-29677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-29677",NA,"CC1=CC=C(C=C1)S(=O)NC(C)(CC(=O)OC)C2=CC=CC=C2","IELXERIOKUYSQC-UHFFFAOYSA-N",380835,NA,"PDBC52578","666559","Present",NA,NA
+"52579","SC-33007",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-33007",NA,"C1=CC=C(C=C1)C(C2=C(C3=CC=CC=C3C=C2)O)(C4=C(C5=CC=CC=C5C=C4)O)O","GFHLSVFXRWFTIQ-UHFFFAOYSA-N",224978,NA,"PDBC52579","13984","Present",NA,NA
+"52580","SC-34715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-34715",NA,"CN1C(=O)CC(C1=O)C2=NC(=CC=C2)C3CC(=O)N(C3=O)C","LTFGIDQMPVPYGR-UHFFFAOYSA-N",365996,NA,"PDBC52580","634162","Present",NA,NA
+"52581","SC-36113",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-36113",NA,"CN=C(N)N=NC1=C(NC2=CC=CC=C21)O","UGPIXTFZKJOHJT-UHFFFAOYSA-N",394281,NA,"PDBC52581","697647","Present",NA,NA
+"52582","SC-36316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-36316",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=CS3)C4=CC5=C(C=C4)SC6=CC=CC=C6S5","IJXSQRGBFYPHRF-UHFFFAOYSA-N",403313,NA,"PDBC52582","718019","Present",NA,NA
+"52583","SC-38585",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-38585",NA,"CCN1C2=C(C=N1)C(=O)N3C(=N2)N(C=N3)C4=CC=C(C=C4)Br","JXCXMCBUNMJMKW-UHFFFAOYSA-N",388889,NA,"PDBC52583","684114","Present",NA,NA
+"52584","SC-41842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-41842",NA,"CN(C)CCNC(=O)C1=C2C(=C(C=C1)NCCCN(C)CCCNC3=C4C(=C(C=C3)C(=O)NCCN(C)C)NC5=C(C4=O)C=C(C=C5)[N+](=O)[O-])C(=O)C6=C(N2)C=CC(=C6)[N+](=O)[O-]","LNERTESFKPZEMY-UHFFFAOYSA-N",11980935,NA,"PDBC52584","710555","Present",NA,NA
+"52585","SC-57558",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-57558",NA,"CC1(COC(=N1)C2=CC=CC=C2C3=CC=CC=C3)C","MUFNIUXQTXCXFN-UHFFFAOYSA-N",395641,NA,"PDBC52585","700423","Present",NA,NA
+"52586","SC-60034",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-60034",NA,"CC1(CN(C2N1C(=O)C23CCCO3)C(=O)OC(C)(C)C)C","UBFJSDIPJNHIMZ-UHFFFAOYSA-N",373036,NA,"PDBC52586","648869","Present",NA,NA
+"52587","SC-60645",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-60645",NA,"CC1=NNC(=O)C1C2CC(=NNC2=O)C3=CNC4=CC=CC=C43","QVTRXVLXIVDHML-UHFFFAOYSA-N",392029,NA,"PDBC52587","691828","Present",NA,NA
+"52588","SC-60646",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-60646",NA,"CC1=CC(=NC(=N1)C)NC2=CC=C(C=C2)N=NC3=C4C=CC=NC4=C(C=C3)O","UUNGCXMWHCKSED-UHFFFAOYSA-N",419381,NA,"PDBC52588","114382","Present",NA,NA
+"52589","SC-87612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-87612",NA,"CCN1C(=O)C2=C(N(C1=O)C3=CC=C(C=C3)C)SC(=N2)SC","RDYYVTMSUQIPFK-UHFFFAOYSA-N",383359,NA,"PDBC52589","671473","Present",NA,NA
+"52590","SC-89018",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-89018",NA,"C1=CSC(=C1)C(=O)NC2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O","GRMVEFCMZGNFGF-UHFFFAOYSA-N",342620,NA,"PDBC52590","379867","Present",NA,NA
+"52591","SCH-1473759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCH-1473759",NA,"CCN(CC1=NSC(=C1)NC2=NC(=CN3C2=NC=C3C4=CNN=C4)C)C(C)(C)CO","RHGZQGXELRMGES-UHFFFAOYSA-N",25144732,NA,"PDBC52591","761691","Present",NA,NA
+"52592","SDM25N HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SDM25N HCl",NA,NA,NA,NA,NA,NA,"PDBC52592",NA,"Absent",NA,NA
+"52593","SEN-450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SEN-450",NA,"C1CCN(C1)C2CCN(CC2)C3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5N4","QFIPIZSYYZDIAP-UHFFFAOYSA-N",53484162,NA,"PDBC52593","763758","Present",NA,NA
+"52594","SEOUDLUVPQXRMF-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SEOUDLUVPQXRMF-UHFFFAOYSA-N",NA,"CCCC(C)NC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=NC(=N3)N)N","SEOUDLUVPQXRMF-UHFFFAOYSA-N",393094,NA,"PDBC52594","694478","Present",NA,NA
+"52595","SEWARINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SEWARINE",NA,"CC=C1CN2CCC34C2CC1C(=C3NC5=C4C=C(C=C5)O)C(=O)OC","BVYFBTHLXBZJTR-JYOAFUTRSA-N",5458504,NA,"PDBC52595","263476","Present",NA,NA
+"52596","SFTI-1 This is a 14 amino acid long cyclic peptide, with 1 cystine bridge. It is a very rigid sructure.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SFTI-1 This is a 14 amino acid long cyclic peptide, with...",NA,"CC(C)CC1C(=O)NC2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)N4CCCC4C(=O)N1)CC(C)C)CO)CCCCN)C(C)O)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C5CCCN5C(=O)C(NC2=O)CC6=CC=CC=C6)CC(=O)O)CCCN=C(N)N","BUTOWGOYPXQYMM-KVNBYPBWSA-N",24205063,NA,"PDBC52596","734139","Present",NA,NA
+"52597","SFTI-15. This is a 14 amino acid long cyclic peptide, across the peptide backbone. Is expected to be protease stable.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SFTI-15. This is a 14 amino acid long cyclic peptide, wi...",NA,"CC(C)CC1C(=O)NC2CCCCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3CCCC3C(=O)N4CCCC4C(=O)N1)CC(C)C)CO)CCCCN)C(C)O)NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C5CCCN5C(=O)C(NC2=O)CC6=CC=CC=C6)CC(=O)O)CCCN=C(N)N","KVTUYASPAIBGKM-HZJVZXADSA-N",24205064,NA,"PDBC52597","734140","Present",NA,NA
+"52598","SGI-110",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SGI-110",NA,"C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)COP(=O)([O-])OC4CC(OC4CO)N5C=NC(=NC5=O)N)O","GUWXKKAWLCENJA-WGWHJZDNSA-M",155810229,NA,"PDBC52598","808292","Present",NA,NA
+"52599","SGZNOQTWBIMLDO-BQYQJAHWSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SGZNOQTWBIMLDO-BQYQJAHWSA-N",NA,"CN(C)C=CC1=NN=NN1C2=CC=C(C=C2)I","SGZNOQTWBIMLDO-BQYQJAHWSA-N",5367729,NA,"PDBC52599","673516","Present",NA,NA
+"52600","SHE 1H7",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SHE 1H7",NA,NA,NA,NA,NA,"PDBC52600","636224","Present",NA,NA
+"52601","SHP-099",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SHP-099",NA,"CC1(CCN(CC1)C2=CN=C(C(=N2)N)C3=C(C(=CC=C3)Cl)Cl)N","YGUFCDOEKKVKJK-UHFFFAOYSA-N",118238298,NA,"PDBC52601","804254","Present",NA,NA
+"52602","SH_03_04",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SH_03_04",NA,"CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=CC(=C3)N4CCOCC4)N5CCOCC5","FISCIEKUXURIRB-UHFFFAOYSA-N",127053588,NA,"PDBC52602","801017","Present",NA,NA
+"52603","SH_03_07",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SH_03_07",NA,"CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=CC(=C3)S(=O)(=O)C)N4CCOCC4","JWVBEFCCTKVFPM-UHFFFAOYSA-N",127053595,NA,"PDBC52603","801018","Present",NA,NA
+"52604","SHetA2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiourea, N-(3,4-dihydro-2,2,4,4-tetramethyl-2H-1-benzot...",NA,"CC1(CC(SC2=C1C=C(C=C2)NC(=S)NC3=CC=C(C=C3)[N+](=O)[O-])(C)C)C","FWWKIYPMUZVMQG-UHFFFAOYSA-N",9844020,NA,"PDBC52604","726189","Present",NA,NA
+"52605","SIBKSTKDADTZSR-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SIBKSTKDADTZSR-UHFFFAOYSA-N",NA,"CCN1C2=CC=CC=C2S(=O)(=O)N3C1=NCC3","SIBKSTKDADTZSR-UHFFFAOYSA-N",341514,NA,"PDBC52605","373863","Present",NA,NA
+"52606","SIEZLKYPPOEGKM-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SIEZLKYPPOEGKM-UHFFFAOYSA-N",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OCC(=C)Br","SIEZLKYPPOEGKM-UHFFFAOYSA-N",342449,NA,"PDBC52606","379398","Present",NA,NA
+"52607","SJL 778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SJL 778",NA,NA,NA,NA,NA,"PDBC52607","695782","Present",NA,NA
+"52608","SKF 14336 phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"clomacran phosphate",NA,"CN(C)CCCC1=C2C=C(C=CC2=NC3=CC=CC=C31)Cl.OP(=O)(O)O","BQWNYBYIBGENRY-UHFFFAOYSA-N",287682,NA,"PDBC52608","147744","Present",NA,NA
+"52609","SKF-86002-A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SKF-86002-A2",NA,"C1CSC2=NC(=C(N21)C3=CC=NC=C3)C4=CC=C(C=C4)F","YOELZIQOLWZLQC-UHFFFAOYSA-N",5228,NA,"PDBC52609","756493","Present",NA,NA
+"52610","SKF-86055",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SKF-86055",NA,"C1CSC2=NC(=C(N21)C3=CC=C(C=C3)F)C4=CC=NC=C4","GLHFDXWSDZWRNN-UHFFFAOYSA-N",453216,NA,"PDBC52610","756494","Present",NA,NA
+"52611","SMA-491 (free base of NSC D742838)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SMA-491 (free base of NSC D742838)",NA,"C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C(=O)N)N","XCAQHWQRKUEFKS-UHFFFAOYSA-N",302576,NA,"PDBC52611","188491","Present",NA,NA
+"52612","SMA-838 (HCl salt of NSC 188491)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SMA-838 (HCl salt of NSC 188491)",NA,"C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)NN)C(=O)N)N.Cl","OLMWEAMAABKBBC-UHFFFAOYSA-N",45028430,NA,"PDBC52612","742838","Present",NA,NA
+"52613","SMP2_000241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SMP2_000241",NA,"C1=CN(C(=O)N=C1)C2C(C(C(O2)CO)O)O","RPQZTTQVRYEKCR-UHFFFAOYSA-N",328839,NA,"PDBC52613","607869","Present",NA,NA
+"52614","SMSF0005277",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SMSF0005277",NA,"CC(=O)N1C2=CC=CC=C2C(=CC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C1=O","WNLAKPQEYJMQAE-GDNBJRDFSA-N",2274420,NA,"PDBC52614","682577","Present",NA,NA
+"52615","SMSF0005735",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SMSF0005735",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2","SUVAYMBUCQBFFX-WJDWOHSUSA-N",682129,NA,"PDBC52615","633952","Present",NA,NA
+"52616","SMSF0009628",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SMSF0009628",NA,"C1CC2=C(C1)C(=NC3=C2C4=CC=CC=C4C=C3)C5=CC6=C(C=C5)OCO6","DTAWFNRBRHLKBJ-UHFFFAOYSA-N",394733,NA,"PDBC52616","698401","Present",NA,NA
+"52617","SMSF0010819",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SMSF0010819",NA,"C1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(O3)Br)C(=O)N2","QXNWYINLMDURPW-DHZHZOJOSA-N",5345856,NA,"PDBC52617","727904","Present",NA,NA
+"52618","SN 12736",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SN 12736",NA,"CC1=CC=CC2=NC3=CC=CC=C3C(=C12)NC4=CC=C(C=C4)NS(=O)(=O)C.CS(=O)(=O)O","HITHWCOVZBTTNK-UHFFFAOYSA-N",291300,NA,"PDBC52618","156307","Present",NA,NA
+"52619","SN 24699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SN 24699",NA,"CC1=NC=C(N1CCNC(=O)CCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","KGGFDKXOKZXDQY-UHFFFAOYSA-N",160389,NA,"PDBC52619","639862","Present",NA,NA
+"52620","SNC-67",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SNC-67",NA,"CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C","KQWVAUSXZDRQPZ-XXAUWVGASA-N",398116,NA,"PDBC52620","707482","Present",NA,NA
+"52621","SNDX-5613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SNDX-5613",NA,"CCN(C(C)C)C(=O)C1=C(C=CC(=C1)F)OC2=CN=CN=C2N3CC4(C3)CCN(CC4)CC5CCC(CC5)NS(=O)(=O)CC","FRVSRBKUQZKTOW-UHFFFAOYSA-N",132212657,NA,"PDBC52621","825775","Present",NA,NA
+"52622","SPECTRUM1505023",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SPECTRUM1505023",NA,"CC1(C([N+](=O)N1[O-])(C)Br)C","CGJLFDXRWNCGDW-UHFFFAOYSA-N",382423,NA,"PDBC52622","669986","Present",NA,NA
+"52623","SQKRNLOXJMBZRP-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SQKRNLOXJMBZRP-UHFFFAOYSA-N",NA,"CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=CO3)C","SQKRNLOXJMBZRP-UHFFFAOYSA-N",387803,NA,"PDBC52623","681875","Present",NA,NA
+"52624","SR 4308",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SR 4308",NA,"C1=CC2=C(C=C1Cl)[N+](=C(N=[N+]2[O-])N)[O-]","FJUGBXQAYWGSSI-UHFFFAOYSA-N",135455586,NA,"PDBC52624","617851","Present",NA,NA
+"52625","SR-717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SR-717",NA,"C1=CC(=NN=C1C(=O)NC2=CC(=C(C=C2C(=O)[O-])F)F)N3C=CN=C3","WEBVQIJGIZVRGA-UHFFFAOYSA-M",155815744,NA,"PDBC52625","827802","Present",NA,NA
+"52626","SR16157",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SR16157",NA,"CCN(CC)CCOCCC1CCC2C1(CCC3C2C(CC4=C3C=CC(=C4)OS(=O)(=O)N)C)C","ASNNHMZDKNSENI-FYUXVVBBSA-N",24202898,NA,"PDBC52626","732011","Present",NA,NA
+"52627","SR9011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SR9011",NA,NA,NA,NA,NA,NA,57394021,NA,"PDBC52627",NA,"Absent",NA,NA
+"52628","SR9243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SR 9243",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CCC2=CC(=CC=C2)Br)CC3=CC=C(C=C3)C4=CC(=CC=C4)S(=O)(=O)C)C","FYQFEJFTCLKXTQ-UHFFFAOYSA-N",76073169,NA,"PDBC52628","787081","Present",NA,NA
+"52629","SRFCVELFGQYQOG-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SRFCVELFGQYQOG-UHFFFAOYSA-N",NA,"CC1CC(=NC2=CC=CC=C2S1)C3=CC=C(C=C3)Cl","SRFCVELFGQYQOG-UHFFFAOYSA-N",367362,NA,"PDBC52629","637001","Present",NA,NA
+"52630","SRI 1215",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SRI 1215",NA,"CCSC1=NC=NC2=C1N=CN2C3C(C(C(O3)CO)O)O","SXDRPWJMWHDCLL-UHFFFAOYSA-N",236668,NA,"PDBC52630","39368","Present",NA,NA
+"52631","SRLFANXCTPIVJY-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SRLFANXCTPIVJY-UHFFFAOYSA-N",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CS(=O)(=O)CC3=NC4=C(N3)C(=O)N(C(=O)N4C)C","SRLFANXCTPIVJY-UHFFFAOYSA-N",267103,NA,"PDBC52631","106218","Present",NA,NA
+"52632","SSA8WX9HQB",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SSA8WX9HQB",NA,"CC1=C(C(=NC(=N1)N)N)CCCC2=CC=CC=C2","ZOLRHOYGCWXBKL-UHFFFAOYSA-N",308637,NA,"PDBC52632","210486","Present",NA,NA
+"52633","SSGVXTHTVXDYFA-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SSGVXTHTVXDYFA-UHFFFAOYSA-N",NA,"CC1(CC(=C(C(=C(C#N)C#N)N1)C#N)C2=CC=C(S2)Cl)C3=CC=C(S3)Cl","SSGVXTHTVXDYFA-UHFFFAOYSA-N",400098,NA,"PDBC52633","711590","Present",NA,NA
+"52634","SSJUUHDUABOISM-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SSJUUHDUABOISM-UHFFFAOYSA-N",NA,"CC(C)OC(=O)C1=CC(=C(C=C1Cl)F)NC(=O)C(C)(C)C","SSJUUHDUABOISM-UHFFFAOYSA-N",361505,NA,"PDBC52634","624577","Present",NA,NA
+"52635","ST-3595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ST-3595",NA,"COC1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)NO","WKQPXLKFQLGQSM-NYYWCZLTSA-N",15986509,NA,"PDBC52635","762153","Present",NA,NA
+"52636","STK000877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK000877",NA,"C1=CC(=CC=C1C2=CC=C(O2)C=C(C(=O)O)C(=O)O)[N+](=O)[O-]","RRMUMFWOUFWXPU-UHFFFAOYSA-N",381101,NA,"PDBC52636","667264","Present",NA,NA
+"52637","STK001200",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK001200",NA,"C1=C(C=C(C(=C1C=NC2=CNC(=O)NC2=O)O)Cl)Cl","HMBQGXAQNZFODB-UHFFFAOYSA-N",404524,NA,"PDBC52637","720761","Present",NA,NA
+"52638","STK001367",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK001367",NA,"CCOC(=O)C1=C(SC2=C1CC(CC2)C)NC(=S)NCC=C","SCWYJDAEMXVVCL-UHFFFAOYSA-N",4554414,NA,"PDBC52638","716569","Present",NA,NA
+"52639","STK001667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK001667",NA,"C1=CC=C(C=C1)CC(=O)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4","RXFULMRHBXEHMV-UHFFFAOYSA-N",376415,NA,"PDBC52639","657329","Present",NA,NA
+"52640","STK006177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK006177",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","SZPUZMYOZQNDCW-UHFFFAOYSA-N",376428,NA,"PDBC52640","657342","Present",NA,NA
+"52641","STK008094",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK008094",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)NC(=O)N2","AVKZHMHSYRISOT-UKTHLTGXSA-N",5471167,NA,"PDBC52641","709116","Present",NA,NA
+"52642","STK008852",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK008852",NA,"C1=CC=C2C(=C1)C(=CN2)C3=CSC(=N3)C4=CNC5=CC=CC=C54","PJCNOTRGTINARI-UHFFFAOYSA-N",396206,NA,"PDBC52642","701758","Present",NA,NA
+"52643","STK008961",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK008961",NA,"C1CCC2=C(C1)C(N3C(=NN=N3)N2)C4=CC=CC=C4","QAADUBHZGNZSOF-UHFFFAOYSA-N",404640,NA,"PDBC52643","721068","Present",NA,NA
+"52644","STK010335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK010335",NA,"COC1=CC=C(C=C1)C2C3=C(C4=CC=CC=C4OC3C5=CC=CC=C5)NC6=NC=NN26","GLOLAXUGTAMTBZ-UHFFFAOYSA-N",404642,NA,"PDBC52644","721070","Present",NA,NA
+"52645","STK011157",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK011157",NA,"COC1=CC=CC(=C1)C=C2C(=O)OC(=N2)C3=CC=CC=C3","VXDLQXNXXYIRJC-PTNGSMBKSA-N",712137,NA,"PDBC52645","142506","Present",NA,NA
+"52646","STK011267",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK011267",NA,"C1CN(CCN1C2=CC(=CC=C2)Cl)S(=O)(=O)C3=C(C=CC(=C3)Cl)Cl","CMOHIYAYQCFWEZ-UHFFFAOYSA-N",386370,NA,"PDBC52646","678254","Present",NA,NA
+"52647","STK011714",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK011714",NA,"CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=C(C=C3)Br","XULLPFXSHNPYND-UHFFFAOYSA-N",391241,NA,"PDBC52647","690138","Present",NA,NA
+"52648","STK012642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK012642",NA,"CC1=NC(=CS1)C2=CC3=CC=CC=C3OC2=O","XVGKZNSQFDIWRA-UHFFFAOYSA-N",389233,NA,"PDBC52648","684986","Present",NA,NA
+"52649","STK013031",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK013031",NA,"CC1CCC2=C(C1)C3=C(S2)NC(=S)N(C3=O)C4=CC=CC=C4","DZMQBDBEHWNHRW-UHFFFAOYSA-N",2870150,NA,"PDBC52649","716578","Present",NA,NA
+"52650","STK017077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK017077",NA,"C1=CC=C2C(=C1)C=C(N2)C(=O)NNC(=O)C3=CC4=CC=CC=C4N3","YEHAVWCDKXUSPK-UHFFFAOYSA-N",393337,NA,"PDBC52650","695045","Present",NA,NA
+"52651","STK018642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK018642",NA,"CC1=NN2C(=N)C(=CC3=CC=CO3)C(=O)N=C2S1","MHYQOSCGHVQZFL-GPSNRAOPSA-N",5468829,NA,"PDBC52651","677208","Present",NA,NA
+"52652","STK020541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK020541",NA,"C1=CC(=CC=C1C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O)Cl","TWKFMMBKYQZZLO-UHFFFAOYSA-N",366668,NA,"PDBC52652","635343","Present",NA,NA
+"52653","STK020593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK020593",NA,"CCN(C1=CC=CC=C1)C(=O)C=CC2=CC=CO2","BJIVQJRYQASZPI-ZHACJKMWSA-N",681017,NA,"PDBC52653","71633","Present",NA,NA
+"52654","STK021220",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK021220",NA,"CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)C","FEDKXZRSVIBYDP-UHFFFAOYSA-N",55294,NA,"PDBC52654","623753","Present",NA,NA
+"52655","STK025512",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK025512",NA,"CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)O","ZNRFHFNEYSLUQB-UHFFFAOYSA-N",403069,NA,"PDBC52655","717540","Present",NA,NA
+"52656","STK026897",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK026897",NA,"C1=CC=C2C(=C1)C(=O)NOC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O","QLLONGGBMHWANI-UHFFFAOYSA-N",3759203,NA,"PDBC52656","782897","Present",NA,NA
+"52657","STK028184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK028184",NA,"C1CCC2=C(C1)C(=C(S2)NC(=S)NC3=CC=CC=C3)C#N","HBTUKUKQTDFRCZ-UHFFFAOYSA-N",848906,NA,"PDBC52657","679228","Present",NA,NA
+"52658","STK030609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK030609",NA,"CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=C(C=C3)Br","LZHLAWVBGVXZNK-UHFFFAOYSA-N",391235,NA,"PDBC52658","690132","Present",NA,NA
+"52659","STK032387",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK032387",NA,"C1=NNC(=N1)NC(=O)C=CC(=O)O","RJXGFRWICKNRQD-OWOJBTEDSA-N",5388444,NA,"PDBC52659","636338","Present",NA,NA
+"52660","STK032801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK032801",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)NN=CC3=CC=CC=C3O)O","GOCSMIDSQQKMKO-PXLXIMEGSA-N",135509615,NA,"PDBC52660","106723","Present",NA,NA
+"52661","STK037888",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK037888",NA,"CC(C(=O)C1=CC=CC=C1)C2(C3=C(C=CC(=C3)Cl)NC2=O)O","ORTHIZOGJSFWBH-UHFFFAOYSA-N",366718,NA,"PDBC52661","635434","Present",NA,NA
+"52662","STK040879",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK040879",NA,"CC1=C(C2=CC=CC=C2N1)C=NC3=CC=C(C=C3)OC4=CC=CC=C4","PYOJOSHAWAOHQD-UHFFFAOYSA-N",403079,NA,"PDBC52662","717551","Present",NA,NA
+"52663","STK048199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK048199",NA,"CCOC(=O)C(=C(SC)SC)C1=NN2C(=O)C=C(N=C2S1)C","MMIVZTGDOSKVSY-UHFFFAOYSA-N",385807,NA,"PDBC52663","677201","Present",NA,NA
+"52664","STK048717",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK048717",NA,"CCOC(=O)C(C1=NN2C(=O)C=C(N=C2S1)C)C(=S)SC","MLAUELXPZHJRCT-UHFFFAOYSA-N",385806,NA,"PDBC52664","677200","Present",NA,NA
+"52665","STK053181",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK053181",NA,"CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NCC3=CC=CC=C3","IOFWFQVFLRTZSK-UHFFFAOYSA-N",1550529,NA,"PDBC52665","690143","Present",NA,NA
+"52666","STK053798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK053798",NA,"COC1(C(=NNC(=S)N1)C2=CC=CC=C2)C3=CC=CC=C3","DLZOPWMAVKTXDW-UHFFFAOYSA-N",2905262,NA,"PDBC52666","711635","Present",NA,NA
+"52667","STK054077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK054077",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)C2=CN=CC=C2","FVLXAEXRZJMEIS-VOTSOKGWSA-N",5387156,NA,"PDBC52667","621364","Present",NA,NA
+"52668","STK054773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK054773",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CN5C6=CC=CC=C6SC5=N4","YGHDONGSZKOBGS-UHFFFAOYSA-N",397577,NA,"PDBC52668","705897","Present",NA,NA
+"52669","STK057163",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK057163",NA,"CC1=C2C(=CC(=N1)C3=CC4=C(C=CC(=C4)OC)OC3=O)C5=C(C=CC(=C5)OC)OC2=O","VRFGPDQRBCIBQU-UHFFFAOYSA-N",395981,NA,"PDBC52669","701105","Present",NA,NA
+"52670","STK058182",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK058182",NA,"C1C(=O)NN=CN2C3=CC=CC=C3N=C2S1","ANYAGMBJIYRZTF-WDZFZDKYSA-N",9571643,NA,"PDBC52670","694227","Present",NA,NA
+"52671","STK058552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK058552",NA,"CC1=C2C(=CC(=N1)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O)C6=C(C=CC7=CC=CC=C76)OC2=O","TZLHQDZDLMPKSD-UHFFFAOYSA-N",395982,NA,"PDBC52671","701106","Present",NA,NA
+"52672","STK061493",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK061493",NA,"C1=CC(=CC(=C1)Cl)NC(=O)NN2C=NN=C2","UOWPKVIDUNKFOK-UHFFFAOYSA-N",328377,NA,"PDBC52672","306752","Present",NA,NA
+"52673","STK065823",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK065823",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=S)NC4=CC=CC=C4","NZVLYQLPOHBEOR-UHFFFAOYSA-N",1344786,NA,"PDBC52673","653931","Present",NA,NA
+"52674","STK065845",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK065845",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC(=NN4)C5=CC=C(C=C5)[N+](=O)[O-]","IRLJKCRAKCEEFC-UHFFFAOYSA-N",399170,NA,"PDBC52674","709589","Present",NA,NA
+"52675","STK070014",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK070014",NA,"CN1C=NC(=C1SC2=NC3=CC=CC=C3N2)[N+](=O)[O-]","FSUBLVKGNQIAEM-UHFFFAOYSA-N",364601,NA,"PDBC52675","631129","Present",NA,NA
+"52676","STK074931",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK074931",NA,"C1=CC(=C(C=C1Cl)Cl)NC(=O)CC2C(=O)N=C(S2)N","CFAGUFSZRAZDMF-UHFFFAOYSA-N",365143,NA,"PDBC52676","632244","Present",NA,NA
+"52677","STK075040",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK075040",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(C=CC4=N3)Cl","USHQNQQPZIXCBP-UHFFFAOYSA-N",395977,NA,"PDBC52677","701101","Present",NA,NA
+"52678","STK079996",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK079996",NA,"C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NC(=O)C4=CC=C(C=C4)Cl","KONACICBGKAJAG-UHFFFAOYSA-N",376420,NA,"PDBC52678","657334","Present",NA,NA
+"52679","STK091286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK091286",NA,"CC1(CC2=C(CC3=C(N2)CC(CC3=O)(C)C)C(=O)C1)C","GPYNTJXDUGTLTO-UHFFFAOYSA-N",379938,NA,"PDBC52679","665130","Present",NA,NA
+"52680","STK092783",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK092783",NA,"CC1=CC(=C(C=C1)C)COCCOCN2C=C(C(=NC2=O)N)Br","LWFBFMVRSUDBMP-UHFFFAOYSA-N",395258,NA,"PDBC52680","699736","Present",NA,NA
+"52681","STK092790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK092790",NA,"CC(=O)NC1=CC=C(C=C1)N=C2C3=CC=CC=C3C(=C2C4=CC=CC=C4)SC5=C(C(=NC6=CC=C(C=C6)NC(=O)C)C7=CC=CC=C75)C8=CC=CC=C8","SIKFBAYEWSLAII-UHFFFAOYSA-N",396836,NA,"PDBC52681","703850","Present",NA,NA
+"52682","STK093861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK093861",NA,"CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC)Br)C3=CC=CC=C3)CN4CCCC4","VYUQRLYKYWEPHX-UHFFFAOYSA-N",403013,NA,"PDBC52682","717486","Present",NA,NA
+"52683","STK094546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK094546",NA,"CC(C(=O)C1=CC=CC=C1)C2(C3=CC=CC=C3NC2=O)O","MLPNSESWKUBXIN-UHFFFAOYSA-N",360295,NA,"PDBC52683","622330","Present",NA,NA
+"52684","STK095497",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK095497",NA,"CC1(OC(=O)C(C(=O)O1)(CC2=CC=CC=C2)CC3=CC=CC=C3)C","KAWSTBSZVJLBEZ-UHFFFAOYSA-N",380818,NA,"PDBC52684","666540","Present",NA,NA
+"52685","STK105062",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK105062",NA,"C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3","RENJXQGRPSWSBE-UHFFFAOYSA-N",375280,NA,"PDBC52685","654797","Present",NA,NA
+"52686","STK108011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK108011",NA,"CC1=CC=C(C=C1)NC2=C3CCCCC3=C(C4=NC5=CC=CC=C5N24)C#N","JHERFNLEIUWPFX-UHFFFAOYSA-N",387849,NA,"PDBC52686","682009","Present",NA,NA
+"52687","STK108506",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK108506",NA,"C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)NC5=CC=C(C=C5)Cl","KVGHMXCQKBILTM-UHFFFAOYSA-N",387850,NA,"PDBC52687","682010","Present",NA,NA
+"52688","STK110077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK110077",NA,"C1CCC2=C(N3C4=CC=CC=C4N=C3C(=C2C1)C#N)N5CCOCC5","UWKMGBPWOMPPFO-UHFFFAOYSA-N",387848,NA,"PDBC52688","682008","Present",NA,NA
+"52689","STK111665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK111665",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-]","AMDYZAWEPNTVMI-UHFFFAOYSA-N",3800162,NA,"PDBC52689","657576","Present",NA,NA
+"52690","STK116968",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK116968",NA,"COC1=CC=CC(=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","PGSGOGCSHXMIQA-UHFFFAOYSA-N",375286,NA,"PDBC52690","654803","Present",NA,NA
+"52691","STK118312",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK118312",NA,"C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=CC=CC=C3Cl","DPSUVSNFAADCDA-UHFFFAOYSA-N",375289,NA,"PDBC52691","654806","Present",NA,NA
+"52692","STK124804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK124804",NA,"COC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=CC=C3)C(=S)N","FVLMPRHVNJXADJ-UHFFFAOYSA-N",2925408,NA,"PDBC52692","716414","Present",NA,NA
+"52693","STK126388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK126388",NA,"C1=CC=C2C(=C1)C3C4C(C2(C5=CC=CC=C35)C=O)C(=O)NC4=O","JVMNCBOYLZFJBX-UHFFFAOYSA-N",380797,NA,"PDBC52693","666516","Present",NA,NA
+"52694","STK133291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK133291",NA,"CCCCC(=O)NN=CC1=C(C(=CC(=C1)I)I)O","BHHWHQSFFPPWOU-VIZOYTHASA-N",135509650,NA,"PDBC52694","110633","Present",NA,NA
+"52695","STK137011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK137011",NA,"C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Cl","IYIITGYYTBUPTI-UHFFFAOYSA-N",366856,NA,"PDBC52695","635835","Present",NA,NA
+"52696","STK149128",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK149128",NA,"CC1=CC(=C(C(=C1)C)NC(=O)C=CC2=CC=CC=C2)C","QQGNTDGNJKWWPV-MDZDMXLPSA-N",966731,NA,"PDBC52696","191384","Present",NA,NA
+"52697","STK150877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK150877",NA,"CC1=CC2=CC=CC=C2N1CC(=O)N3CCCC3","QIXUHQMNXSNWHO-UHFFFAOYSA-N",381971,NA,"PDBC52697","669281","Present",NA,NA
+"52698","STK153593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK153593",NA,"CC1C2=C(CC(CC2=O)(C)C)NC3=C1C(=O)CC(C3)(C)C","BZTGVBSTOUKXCI-UHFFFAOYSA-N",379950,NA,"PDBC52698","665142","Present",NA,NA
+"52699","STK170335",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK170335",NA,"CN1C(=O)C(=CC2=CC=C(C=C2)Br)C(=O)N(C1=O)C","WRQMCSDHNXASKP-UHFFFAOYSA-N",395437,NA,"PDBC52699","699982","Present",NA,NA
+"52700","STK174912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK174912",NA,"C1=CC=C(C(=C1)C=NNC2=NC3=CC=CC=C3S2)O","MKWMJLJVBCWMHC-OQLLNIDSSA-N",135460716,NA,"PDBC52700","34780","Present",NA,NA
+"52701","STK200394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK200394",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)N=NC3=C(NC4=CC=CC=C43)O)O","MMOPJLMGKBXYPB-UHFFFAOYSA-N",389687,NA,"PDBC52701","686142","Present",NA,NA
+"52702","STK205994",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK205994",NA,"C1=CC=C2C(=C1)N=C3C(=N2)SC4=NC5=CC=CC=C5N34","NRAPIYWXSRMKRF-UHFFFAOYSA-N",380629,NA,"PDBC52702","666304","Present",NA,NA
+"52703","STK207353",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK207353",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NC3=CC=C(C=C3)OC","RICCWHOMSSUHEU-UHFFFAOYSA-N",378529,NA,"PDBC52703","661164","Present",NA,NA
+"52704","STK209839",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK209839",NA,"CC1=C(C=C(C=C1)NC(=O)COC2=CC=C(C=C2)Cl)Cl","NAJZUPOKXMXWBW-UHFFFAOYSA-N",295211,NA,"PDBC52704","164371","Present",NA,NA
+"52705","STK215818",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK215818",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=NC=C3)O","PWCSGWWCYIKEJI-UHFFFAOYSA-N",360293,NA,"PDBC52705","622328","Present",NA,NA
+"52706","STK216075",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK216075",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=CC=C(C=C3)F)O","IBOVMHGMLUUMEA-UHFFFAOYSA-N",359734,NA,"PDBC52706","621180","Present",NA,NA
+"52707","STK219798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK219798",NA,"CC1=NN(C(=O)C1=CC=CC2=CC=CC=C2)C3=CC(=CC=C3)Cl","PQPLMTQVKJOXNZ-BIMFAPAISA-N",6485117,NA,"PDBC52707","751275","Present",NA,NA
+"52708","STK231324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK231324",NA,"CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC(=O)CSC3=NC(=CC(=N3)C)C","HYVBVRPNMUPXBK-UHFFFAOYSA-N",403085,NA,"PDBC52708","717557","Present",NA,NA
+"52709","STK235793",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK235793",NA,"CC1=CC=C(C=C1)C2=NN=C3N2C(=O)C(=CC4=CC=C(C=C4)N(C)C)S3","NWNWWBNTPGHWND-ATVHPVEESA-N",1550163,NA,"PDBC52709","637622","Present",NA,NA
+"52710","STK236120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK236120",NA,"C1=CC(=CC=C1C(=O)NN=CC2=CC=NC=C2)F","CQBOIYPHKXALMH-CXUHLZMHSA-N",5333611,NA,"PDBC52710","741411","Present",NA,NA
+"52711","STK242450",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK242450",NA,"CC1=NC2=CC=CC=C2N1CC3=NN=C4N3N=C(CS4)C5=CC=CC=C5","PBLNXCJTJUWZFT-UHFFFAOYSA-N",397868,NA,"PDBC52711","706492","Present",NA,NA
+"52712","STK246890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK246890",NA,"C1=CC=C2C(=C1)C(=O)C3(C2(N=C(N3)N)O)O","ORNGAPCYHMNNOC-UHFFFAOYSA-N",368007,NA,"PDBC52712","638236","Present",NA,NA
+"52713","STK257558",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK257558",NA,"COC1=CC=C(C=C1)N=C2C3=C(C=CC(=C3)Br)NC2=O","WGAFLWYXQOACCE-UHFFFAOYSA-N",135400370,NA,"PDBC52713","201446","Present",NA,NA
+"52714","STK258698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK258698",NA,"C1=CC=C(C=C1)C(=O)C(C(C2=CC(=CC=C2)[N+](=O)[O-])Br)Br","LOYYEMPWEAHZAH-UHFFFAOYSA-N",248781,NA,"PDBC52714","66230","Present",NA,NA
+"52715","STK264905",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK264905",NA,"C1=CC=C(C=C1)C2=CSC(=N2)N=NC3=C(NC4=CC=CC=C43)O","BCGBRIYJZICEFD-UHFFFAOYSA-N",376575,NA,"PDBC52715","657587","Present",NA,NA
+"52716","STK272073",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK272073",NA,"COC1=C(C=C2C(=C1)C=CN=C2C3=NNC4=CC(=C(C=C43)OC)OC)OC","LJSFVXBGXNZFDQ-UHFFFAOYSA-N",363871,NA,"PDBC52716","629161","Present",NA,NA
+"52717","STK273468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK273468",NA,"C1=CC=C2C(=C1)C(C(=O)N2)(CC(=O)C3=C(C=C(C=C3)Cl)Cl)O","DZJOZSFSFDCJIG-UHFFFAOYSA-N",359742,NA,"PDBC52717","621188","Present",NA,NA
+"52718","STK273469",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK273469",NA,"C1=CC(=C(C=C1Cl)Cl)C(=O)CC2(C3=C(C=CC(=C3)Br)NC2=O)O","RHDRCSYJNPGLJU-UHFFFAOYSA-N",366633,NA,"PDBC52718","635308","Present",NA,NA
+"52719","STK277229",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK277229",NA,"COC1=CC=C(C=C1)C2=NC(=CC3=CC=CC=C3)C(=O)O2","IOFAUGQLKIMIQB-PTNGSMBKSA-N",1551706,NA,"PDBC52719","149049","Present",NA,NA
+"52720","STK298401",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK298401",NA,"CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1N","WZDHXHNXGOBFRM-UHFFFAOYSA-N",395164,NA,"PDBC52720","699464","Present",NA,NA
+"52721","STK299137",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK299137",NA,"CCOCCC1=C(N=C(NC1=O)SC)O","XZJPBUNHECRIEW-UHFFFAOYSA-N",248998,NA,"PDBC52721","66837","Present",NA,NA
+"52722","STK299158",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK299158",NA,"C1CN2C(=O)C3=C(N=C2SC1)OC4=CC=CC=C4C3=O","BLSDBWLPHJIFMF-UHFFFAOYSA-N",396090,NA,"PDBC52722","701614","Present",NA,NA
+"52723","STK325057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK325057",NA,"C1=CC=C2C(=C1)C(=CC3=C(NC(=S)NC3=O)O)C=N2","IMNZTFWQMZGNCI-FNORWQNLSA-N",135443018,NA,"PDBC52723","90736","Present",NA,NA
+"52724","STK325130",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK325130",NA,"CN1C(=O)C(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)N(C1=O)C","VLNKFANNJDIHFV-UHFFFAOYSA-N",3114175,NA,"PDBC52724","748742","Present",NA,NA
+"52725","STK326087",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK326087",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]","AIOZPDMZGCGPNG-UHFFFAOYSA-N",403862,NA,"PDBC52725","719395","Present",NA,NA
+"52726","STK328353",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK328353",NA,"COC1=CC(=CC(=C1OC)OC)C=C2C3=CC=CC=C3NC2=O","FHTCRVQNMFJGLM-JYRVWZFOSA-N",964103,NA,"PDBC52726","736805","Present",NA,NA
+"52727","STK329520",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK329520",NA,"COC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=C(C(=CC(=C4)Br)Br)O)O","VCAYMHVHJNBQOD-BHGWPJFGSA-N",135436280,NA,"PDBC52727","717452","Present",NA,NA
+"52728","STK335651",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK335651",NA,"C1=CC=C(C=C1)C2C(=C(NC3=NC4=CC=CC=C4N23)N)C#N","VIWIFCMSQWJCHM-UHFFFAOYSA-N",404645,NA,"PDBC52728","721073","Present",NA,NA
+"52729","STK335726",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK335726",NA,"C1=CC(=CC=C1C2=C(C(=NC3=NNC(=C23)N)N)C#N)Cl","RQOIAOXTYPDSPP-UHFFFAOYSA-N",395922,NA,"PDBC52729","701017","Present",NA,NA
+"52730","STK335863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK335863",NA,"CCOC(=O)C(=C1SC(=C(C(=O)OCC)C(=O)OCC)S1)C(=O)OCC","CQZLSMCISVQUMY-UHFFFAOYSA-N",361629,NA,"PDBC52730","624845","Present",NA,NA
+"52731","STK356042",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK356042",NA,"C1=CC=C2C(=C1)N=C3N2C(=O)C(=CC4=CC=CO4)S3","OSDWYTGSQXYMNN-WQLSENKSSA-N",1555814,NA,"PDBC52731","634477","Present",NA,NA
+"52732","STK365136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK365136",NA,"C1=CC=C2C(=C1)C(=CN2CC3=CC=C(C=C3)Cl)C=NN4C=NN=C4","OSYZHUXDDUDBGX-LSFURLLWSA-N",6858424,NA,"PDBC52732","717530","Present",NA,NA
+"52733","STK367517",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK367517",NA,"C(C(=O)O)SC(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F","SFULCKVVPKDWKO-UHFFFAOYSA-N",383669,NA,"PDBC52733","672087","Present",NA,NA
+"52734","STK367521",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK367521",NA,"CCOC(=O)NC(C(=O)OC)(C(F)(F)F)OCC1=CC=CC=C1","CGHHVVAQIJATPE-UHFFFAOYSA-N",383678,NA,"PDBC52734","672096","Present",NA,NA
+"52735","STK367524",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK367524",NA,"C1C(SC(=N1)NC2=C(C=C(C=C2)F)F)CI","ZHLNUNGPKXMIBM-UHFFFAOYSA-N",389123,NA,"PDBC52735","684808","Present",NA,NA
+"52736","STK367527",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK367527",NA,"CC1CN=C(S1)N(C2=CC(=C(C=C2)C)C)C(=O)NC","IYANBFOTFIODLQ-UHFFFAOYSA-N",383608,NA,"PDBC52736","672026","Present",NA,NA
+"52737","STK367537",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK367537",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=C(C=C1)F)O","OWTCYKSRRFBIHO-UHFFFAOYSA-N",389142,NA,"PDBC52737","684827","Present",NA,NA
+"52738","STK367542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK367542",NA,"CC1CN=C(S1)N(C2=CC=C(C=C2)C)C(=O)NC3=CC(=C(C=C3)F)Cl","QJJHJDUEZMDHKJ-UHFFFAOYSA-N",383620,NA,"PDBC52738","672038","Present",NA,NA
+"52739","STK367546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK367546",NA,"CC1CN=C(S1)N(C2=CC(=C(C=C2)C)C)C(=O)NC3=CC=CC=C3","BNNGLQLUWQZTBZ-UHFFFAOYSA-N",383611,NA,"PDBC52739","672029","Present",NA,NA
+"52740","STK368445",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK368445",NA,"CC1=CC2=C(C=C1)NC3=C2CCCC3=NN=C(N)N","YGQPIDJURRBKNN-PDGQHHTCSA-N",135485004,NA,"PDBC52740","686477","Present",NA,NA
+"52741","STK368615",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK368615",NA,"C1=CC=C2C(=C1)NC3=NC4=NON=C4N=C3N2","HISAAWPSSDPBMI-UHFFFAOYSA-N",394429,NA,"PDBC52741","697881","Present",NA,NA
+"52742","STK369750",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK369750",NA,"C1CCC2=C(C1)C3=C(C=CC4=CC=CC=C43)N=C2C5=CC6=C(C=C5)OCO6","AMKFUJCVEPYZFT-UHFFFAOYSA-N",394732,NA,"PDBC52742","698400","Present",NA,NA
+"52743","STK370935",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK370935",NA,"CCN(CC)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])N(CC)CC","RAXKPWAKMDDUBY-UHFFFAOYSA-N",379891,NA,"PDBC52743","665083","Present",NA,NA
+"52744","STK372664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK372664",NA,"CC1CN=C(S1)N(C)C(=O)NC2=CC=C(C=C2)Cl","DHBIZNKAPKMZPO-UHFFFAOYSA-N",383609,NA,"PDBC52744","672027","Present",NA,NA
+"52745","STK372666",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK372666",NA,"CC1CN=C(S1)N(C2=CC=CC(=C2)C)C(=O)NC3=CC(=C(C=C3)Cl)Cl","ZQTGDEHCVGFQCB-UHFFFAOYSA-N",383614,NA,"PDBC52745","672032","Present",NA,NA
+"52746","STK372674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK372674",NA,"COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=NC4=CC=CC=C4O3","SWJHDCRRCWPBSX-UHFFFAOYSA-N",397078,NA,"PDBC52746","704391","Present",NA,NA
+"52747","STK374626",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK374626",NA,"C1=CC=C(C=C1)C2=NN(N=N2)CC(=O)NN=CC3=CN(C4=CC=CC=C43)CC5=C(C=C(C=C5)Cl)Cl","FEYDANQFIZKGJT-XODNFHPESA-N",5722766,NA,"PDBC52747","717476","Present",NA,NA
+"52748","STK377695",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377695",NA,"CCCC1=NC(N=C(O1)N2CCOCC2)(C(F)(F)F)C(F)(F)F","WBBXWIQFWWPFED-UHFFFAOYSA-N",382511,NA,"PDBC52748","670118","Present",NA,NA
+"52749","STK377701",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377701",NA,"CC1CN=C(S1)NC2=CC(=CC=C2)F","HACQCQBZFCWXOT-UHFFFAOYSA-N",389119,NA,"PDBC52749","684804","Present",NA,NA
+"52750","STK377704",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377704",NA,"CCCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C","MNOGMFLPLKYZKH-UHFFFAOYSA-N",389113,NA,"PDBC52750","684798","Present",NA,NA
+"52751","STK377711",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377711",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NC(=NC(=C2)C)C)NC(=O)C3=CC(=CC=C3)Cl","IPJFEUBKUYTZIL-UHFFFAOYSA-N",389137,NA,"PDBC52751","684822","Present",NA,NA
+"52752","STK377794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377794",NA,"C1C2(COP(=O)(O1)OC2)COC(=O)C(C(F)(F)F)C(F)(F)F","MLZYGZYTMKMZRR-UHFFFAOYSA-N",382512,NA,"PDBC52752","670119","Present",NA,NA
+"52753","STK377796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377796",NA,"CCC(C)NC1=NCC(S1)C","FPORBLGIQSSPPA-UHFFFAOYSA-N",383600,NA,"PDBC52753","672018","Present",NA,NA
+"52754","STK377797",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377797",NA,"CC1CN=C(S1)NCC(C)C","QXBNUVGTSLREGK-UHFFFAOYSA-N",383601,NA,"PDBC52754","672019","Present",NA,NA
+"52755","STK377798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377798",NA,"CC1=CC=CC=C1NC(=O)NC(C(F)(F)F)(C(F)(F)F)OC2=CC=CC=C2","VDJFQOLDDITTFE-UHFFFAOYSA-N",383653,NA,"PDBC52755","672071","Present",NA,NA
+"52756","STK377814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK377814",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)CC(C)C)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F","GWPKZONJLJLQMW-UHFFFAOYSA-N",384770,NA,"PDBC52756","675206","Present",NA,NA
+"52757","STK385341",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK385341",NA,"CCOC(=O)C1=C(SC2=C1CCC2)NC(=O)C3=CC=CS3","AVLHWHZPFYAHTA-UHFFFAOYSA-N",391239,NA,"PDBC52757","690136","Present",NA,NA
+"52758","STK386789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK386789",NA,"CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)OC","OYIOCGPIKHIYRT-UHFFFAOYSA-N",386761,NA,"PDBC52758","679440","Present",NA,NA
+"52759","STK386833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK386833",NA,"C1CN(C2=CC=CC=C21)CCN3CCC4=CC=CC=C43","GOVGXMFTKMWFCG-UHFFFAOYSA-N",379086,NA,"PDBC52759","663299","Present",NA,NA
+"52760","STK386853",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK386853",NA,"CC(=CC1=CNC2=CC=CC=C21)[N+](=O)[O-]","BPAQTDYDNBMYAM-SOFGYWHQSA-N",5291187,NA,"PDBC52760","65628","Present",NA,NA
+"52761","STK387357",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK387357",NA,"CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)Cl)C(=O)OCC)C)C","TXVRICWGWBIUAG-UHFFFAOYSA-N",285815,NA,"PDBC52761","143346","Present",NA,NA
+"52762","STK387404",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK387404",NA,"CC(=O)C1=CC=C(C=C1)NCN2C(=O)C3=CC=CC=C3C2=O","LKJDTMREVNFJHY-UHFFFAOYSA-N",285809,NA,"PDBC52762","143340","Present",NA,NA
+"52763","STK392529",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK392529",NA,"CCOC(=O)C1C(C(C(CC1=O)(C)O)C(=O)OCC)C2=CC=C(C=C2)N(C)C","QUSPUJJUTGSQHE-UHFFFAOYSA-N",386763,NA,"PDBC52763","679442","Present",NA,NA
+"52764","STK392541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK392541",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C(C3=CC=CO3)C4=C(C5=CC=CC=C5OC4=O)O)O","DPCBACPQYAAEEZ-UHFFFAOYSA-N",54706321,NA,"PDBC52764","686386","Present",NA,NA
+"52765","STK396880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK396880",NA,"C1CCCN(CC1)C(=S)N=NC2=C(NC3=CC=CC=C32)O","ZYZGXPLWTZLVDT-UHFFFAOYSA-N",381668,NA,"PDBC52765","668496","Present",NA,NA
+"52766","STK400670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK400670",NA,"C1=CC2=CC(=CC3=C2C(=C1)C(=O)N(C3=O)O)[N+](=O)[O-]","MGWVYQDKZKNRAZ-UHFFFAOYSA-N",272142,NA,"PDBC52766","116383","Present",NA,NA
+"52767","STK400716",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK400716",NA,"C1COC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCOC3=C(C=C(C=C3)[N+](=O)[O-])OCCO1","JLRXOTNWTNNRCW-UHFFFAOYSA-N",360968,NA,"PDBC52767","623699","Present",NA,NA
+"52768","STK408185",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK408185",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)C3=CC4=CC=CC=C4OC3=N","AQSJUHLOMABNTG-UHFFFAOYSA-N",395954,NA,"PDBC52768","701078","Present",NA,NA
+"52769","STK408187",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK408187",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC4=CC=CC=C43","NREQVYQPTUXJOL-UHFFFAOYSA-N",389246,NA,"PDBC52769","684999","Present",NA,NA
+"52770","STK408763",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK408763",NA,"CCOC(=O)C1=C(SC2=C1CCCC2)NS(=O)(=O)C3=CC=CC=C3","CBQRZBXNKYYYEB-UHFFFAOYSA-N",391240,NA,"PDBC52770","690137","Present",NA,NA
+"52771","STK411660",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK411660",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)NN=CC3=C(C=CC(=C3)[N+](=O)[O-])O","IXNWRKHHULCWKO-YBFXNURJSA-N",135403159,NA,"PDBC52771","115983","Present",NA,NA
+"52772","STK413001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK413001",NA,"CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CS3","BEZPESQLRYMCPE-UHFFFAOYSA-N",391237,NA,"PDBC52772","690134","Present",NA,NA
+"52773","STK414216",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK414216",NA,"CC1=C(C=CC=C1Cl)NC(=O)C=CC2=CC=CC=C2","JHOSABSCZPNQBT-ZHACJKMWSA-N",764659,NA,"PDBC52773","191392","Present",NA,NA
+"52774","STK416902",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK416902",NA,"C1OC2=C(O1)C=C(C=C2)C=CC(=O)NCC3=CC=CO3","CXAHONMBMUYUDI-GQCTYLIASA-N",840355,NA,"PDBC52774","686957","Present",NA,NA
+"52775","STK420861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK420861",NA,"CC1=CC(=NC(=C1)NC(=O)COC2=CC=C(C=C2)Cl)C","BBBMUJSXZRQDHK-UHFFFAOYSA-N",295299,NA,"PDBC52775","164460","Present",NA,NA
+"52776","STK422175",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK422175",NA,"CC(=NNC(=O)C1=CC=NC=C1)C2=CC(=C(C=C2)OC)OC","YDIKRYJQWSSWLV-WOJGMQOQSA-N",9555933,NA,"PDBC52776","655520","Present",NA,NA
+"52777","STK423577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK423577",NA,"C1=CC=C(C=C1)NC(=S)N=NC2=C(NC3=C2C=C(C=C3)[N+](=O)[O-])O","JKPODAQUJVLRFT-UHFFFAOYSA-N",3715893,NA,"PDBC52777","716766","Present",NA,NA
+"52778","STK425674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK425674",NA,"C1=CC(=CC=C1NNC(=O)COC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]","ATZKFRWZNFFNOO-UHFFFAOYSA-N",3643282,NA,"PDBC52778","190517","Present",NA,NA
+"52779","STK440289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK440289",NA,"C1CN(CCN1C(=O)C2=C(C=CC(=C2)Cl)Cl)C(=O)C3=C(C=CC(=C3)Cl)Cl","ACZMODPPJFSBRK-UHFFFAOYSA-N",386375,NA,"PDBC52779","678259","Present",NA,NA
+"52780","STK441344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK441344",NA,"COC1=CC(=C(C=C1)OC)C=C2C(=O)NC(=S)S2","WEDXIWUKUHJGIR-POHAHGRESA-N",1282682,NA,"PDBC52780","724354","Present",NA,NA
+"52781","STK441702",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK441702",NA,"C1=CC(=CN=C1)CNC(=O)C2C3C=CC(C2C(=O)O)O3","JERWRHFLMJMVBC-UHFFFAOYSA-N",270379,NA,"PDBC52781","112782","Present",NA,NA
+"52782","STK442663",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK442663",NA,"CC1=CC=C(C=C1)NC(=O)C2C3C=CC(C2C(=O)O)O3","ZUTLXYKCFKCEMK-UHFFFAOYSA-N",369531,NA,"PDBC52782","641388","Present",NA,NA
+"52783","STK453024",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK453024",NA,"C1=CC=NC(=C1)CNC(=O)C2C3C=CC(C2C(=O)O)O3","OPKJEKZXOQTIPV-UHFFFAOYSA-N",240654,NA,"PDBC52783","47082","Present",NA,NA
+"52784","STK455789",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK455789",NA,"CC1=CC(=NC(=C1)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C","RHGWAXACXTZKEN-UHFFFAOYSA-N",2955810,NA,"PDBC52784","695328","Present",NA,NA
+"52785","STK457912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK457912",NA,"CC1=CC(=NO1)NC(=O)C2C3C=CC(C2C(=O)O)O3","JOKSNBLJCNUNLB-UHFFFAOYSA-N",369532,NA,"PDBC52785","641389","Present",NA,NA
+"52786","STK464917",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK464917",NA,"CC1=CC(=NC=C1)NC(=S)NC2=CC(=CC=C2)Cl","KWWXZCPLQRGDRF-UHFFFAOYSA-N",3005371,NA,"PDBC52786","695059","Present",NA,NA
+"52787","STK467437",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK467437",NA,"C(C(CNC(=O)C(F)(F)F)O)NC(=O)C(F)(F)F","XGJMDMQAOYCRLK-UHFFFAOYSA-N",361854,NA,"PDBC52787","625175","Present",NA,NA
+"52788","STK470567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK470567",NA,"CCOC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C)C(=O)OCC","GDNOYAIKJVPMGJ-UHFFFAOYSA-N",7938304,NA,"PDBC52788","743407","Present",NA,NA
+"52789","STK470612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK470612",NA,"CC(C)OC(=O)C1=CC(=CC(=C1)NS(=O)(=O)C2=CC3=CC=CC=C3C=C2)C(=O)OC(C)C","TUWVWHZIXRXENK-UHFFFAOYSA-N",17377306,NA,"PDBC52789","743409","Present",NA,NA
+"52790","STK492807",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK492807",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NC3=CC=C(C=C3)C","HEHBODNCKADTQL-UHFFFAOYSA-N",395963,NA,"PDBC52790","701087","Present",NA,NA
+"52791","STK492811",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK492811",NA,"CCN(CC)C1=CC2=C(C=C1)C=C(C(=N)O2)C(=O)NCC3=CC=CC=C3","MNFDHIMZDCZTPV-UHFFFAOYSA-N",389252,NA,"PDBC52791","685005","Present",NA,NA
+"52792","STK506746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK506746",NA,"C1=CC(=CC=C1C2=NC(=S)NN2)O","GHQAENHMNKYJGV-UHFFFAOYSA-N",689100,NA,"PDBC52792","625816","Present",NA,NA
+"52793","STK520043",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK520043",NA,"CC1=C(C=CC(=C1)C2=NC3=CC=CC=C3S2)NC(=O)C","BFAFHUBUWQAGOY-UHFFFAOYSA-N",394824,NA,"PDBC52793","698674","Present",NA,NA
+"52794","STK520746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK520746",NA,"COC1=CC=C(C2=CC=CC=C21)C=C3C(=O)NC(=S)NC3=O","PRGOJLMLGXKQJN-UHFFFAOYSA-N",885874,NA,"PDBC52794","713070","Present",NA,NA
+"52795","STK522977",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK522977",NA,"C1C(=O)N(C(=S)S1)CC2=CN=CC=C2","HVOPSRSIFJPCRF-UHFFFAOYSA-N",317081,NA,"PDBC52795","246399","Present",NA,NA
+"52796","STK524933",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK524933",NA,"CC1(CC2=C(C(C(=C(N2)SCC(=O)O)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C","HTRIYXWEWDJQMO-UHFFFAOYSA-N",397586,NA,"PDBC52796","705927","Present",NA,NA
+"52797","STK525439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK525439",NA,"C1=CC=C(C=C1)C2=CSC(=N2)C3=C(OC4=C(C3C5=CC=CO5)C(=O)OC6=CC=CC=C64)N","AYMVFKCJJBANOF-UHFFFAOYSA-N",380521,NA,"PDBC52797","666135","Present",NA,NA
+"52798","STK525493",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK525493",NA,"CC1=CC=C(C=C1)C(=CC(=O)C(=O)NN=C(C2=CC=CC=C2)C3=CC=CC=C3)O","UDVZPZGWJUSKQE-PGMHBOJBSA-N",1550513,NA,"PDBC52798","686138","Present",NA,NA
+"52799","STK526298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK526298",NA,"C1=CC=C(C=C1)C(=NNC(=O)C(=O)C=C(C2=CC=C(C=C2)Cl)O)C3=CC=CC=C3","YVHAVORDFUTNNI-HKWRFOASSA-N",5466242,NA,"PDBC52799","682572","Present",NA,NA
+"52800","STK526600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK526600",NA,"C1=CC(=CC=C1C(=O)O)NC(=O)CC(=O)NC2=CC=C(C=C2)C(=O)O","NPCIOPZZQQSOPU-UHFFFAOYSA-N",385920,NA,"PDBC52800","677383","Present",NA,NA
+"52801","STK526942",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK526942",NA,"C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O","OMVRLLONIMTCRK-UHFFFAOYSA-N",389239,NA,"PDBC52801","684992","Present",NA,NA
+"52802","STK527518",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK527518",NA,"CC1C2(OCC(C1(C#N)C#N)(C(=N)O2)C#N)C","ODRWBZAABDXWPM-UHFFFAOYSA-N",387800,NA,"PDBC52802","681872","Present",NA,NA
+"52803","STK527948",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK527948",NA,"CC1=C(C(=NO1)C)N=NC2=C(C3=NON=C3C=C2)N","SSIUUOSFZVPBAE-UHFFFAOYSA-N",379412,NA,"PDBC52803","663954","Present",NA,NA
+"52804","STK528172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK528172",NA,"C1=CC=C2C(=C1)C(=C(C(=O)N2)C(=O)NCCO)O","MBGFXTSZNLJTQD-UHFFFAOYSA-N",54677433,NA,"PDBC52804","675810","Present",NA,NA
+"52805","STK528728",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK528728",NA,"CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C(C)C)C","YFTCCNUPLDVNDH-UHFFFAOYSA-N",387802,NA,"PDBC52805","681874","Present",NA,NA
+"52806","STK528824",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK528824",NA,"CCOC1=CC2=C(C=C1)N=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)C3=CN=CC=C3","MPHQHQBHNQGHIK-UHFFFAOYSA-N",401438,NA,"PDBC52806","715098","Present",NA,NA
+"52807","STK529439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK529439",NA,"C1CCC23C(C1)C(C(C(O2)C4=CC=CO4)(C(=N)O3)C#N)(C#N)C#N","VEZFHWQYKDHODL-UHFFFAOYSA-N",387809,NA,"PDBC52807","681881","Present",NA,NA
+"52808","STK529683",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK529683",NA,"C1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC=CO3","XOZGFVVIJIHNCC-UHFFFAOYSA-N",387742,NA,"PDBC52808","681771","Present",NA,NA
+"52809","STK529743",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK529743",NA,"C1CCC23C(C1)C(C(C(O2)C4=CC=CC=C4)(C(=N)O3)C#N)(C#N)C#N","YDHPTFXGAJFNQY-UHFFFAOYSA-N",387810,NA,"PDBC52809","681882","Present",NA,NA
+"52810","STK530002",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK530002",NA,"CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=CC=C3)C","YNQTYKJCVYDGNT-UHFFFAOYSA-N",387804,NA,"PDBC52810","681876","Present",NA,NA
+"52811","STK533980",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK533980",NA,"C1=CC(=CC=C1C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4)Cl","PTXJSSLSLXBAEJ-UHFFFAOYSA-N",3003719,NA,"PDBC52811","705850","Present",NA,NA
+"52812","STK534857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK534857",NA,"COC1=C(C=C(C=C1)N2C(=C(C3=NC4=CC=CC=C4N=C32)C(=O)NCCN5CCOCC5)N)OC","KTCFYDANRCUFDE-UHFFFAOYSA-N",1912526,NA,"PDBC52812","744231","Present",NA,NA
+"52813","STK535178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK535178",NA,"CC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(S2)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","PAVVBYSDAVHPHX-UHFFFAOYSA-N",375444,NA,"PDBC52813","655167","Present",NA,NA
+"52814","STK535329",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK535329",NA,"C1CCC23C(C1)C(C(CO2)(C(=N)O3)C#N)(C#N)C#N","UNPBKPAANJMRCG-UHFFFAOYSA-N",387806,NA,"PDBC52814","681878","Present",NA,NA
+"52815","STK535604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK535604",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4)C(=O)NC5=CC=CC=C5","MHVNIYGPHFNYRW-UHFFFAOYSA-N",364791,NA,"PDBC52815","631550","Present",NA,NA
+"52816","STK535899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK535899",NA,"CN1CCN(CC1)C2=C(C(=O)C3=CC=CC=C3C2=O)Cl","GUNUJEHGUYLPRR-UHFFFAOYSA-N",237102,NA,"PDBC52816","40342","Present",NA,NA
+"52817","STK536089",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK536089",NA,"C1=CC=C(C=C1)N2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CO3","GUPFTQZXYCJXSL-UHFFFAOYSA-N",387725,NA,"PDBC52817","681754","Present",NA,NA
+"52818","STK537384",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK537384",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4","UWLLCNUKKMXBKH-UHFFFAOYSA-N",361080,NA,"PDBC52818","623885","Present",NA,NA
+"52819","STK537685",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK537685",NA,"COC(=O)C1=C(C(=NC2=C1CCC2)N)C#N","SNIKKGLKPIVMGZ-UHFFFAOYSA-N",394328,NA,"PDBC52819","697697","Present",NA,NA
+"52820","STK544180",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK544180",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=CC=C3)C(=O)NC4=CC=CC=C4","MPCYBPNOLBTPOA-UHFFFAOYSA-N",358533,NA,"PDBC52820","618541","Present",NA,NA
+"52821","STK549766",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK549766",NA,"C1=CC=C(C=C1)C2C(C(=C(N2C3=CC=CC=C3)N)C#N)(C#N)C#N","VPVNUZANVWHEPW-UHFFFAOYSA-N",387726,NA,"PDBC52821","681755","Present",NA,NA
+"52822","STK558857",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK558857",NA,"CC1=CC=C(C=C1)N2C3=C(C=C(C=C3)[N+](=O)[O-])C=C4C2=NC(=O)NC4=O","AHOQBMMKXUYLMD-UHFFFAOYSA-N",931309,NA,"PDBC52822","729133","Present",NA,NA
+"52823","STK559095",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK559095",NA,"C1=CC=C(C=C1)CN2C(=O)C3=C(C=CC(=C3)I)NC2=S","NNCAHROHJUVHBU-UHFFFAOYSA-N",1550629,NA,"PDBC52823","715722","Present",NA,NA
+"52824","STK565600",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK565600",NA,"CCOC(=O)C=CC1=C(NC(=O)NC1=O)C","DGMCWSFLTABWGO-SNAWJCMRSA-N",741352,NA,"PDBC52824","159935","Present",NA,NA
+"52825","STK614011",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK614011",NA,"C1=CC=C2C(=C1)C(=O)N(C(=O)N2)N=CC3=CC=C(C=C3)O","DNFHMXRBWQAULZ-CXUHLZMHSA-N",135494004,NA,"PDBC52825","691079","Present",NA,NA
+"52826","STK631817",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK631817",NA,"C1C(C(=O)NC1=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4","CCTHQRGUCMCKIK-UHFFFAOYSA-N",363325,NA,"PDBC52826","628182","Present",NA,NA
+"52827","STK632730",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK632730",NA,"COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4CCOCC4)OC","POUGOEFZYGQTHG-UHFFFAOYSA-N",339886,NA,"PDBC52827","368252","Present",NA,NA
+"52828","STK637981",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK637981",NA,"CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CC3=CC=CC=C3)C","YPHJCHIJLIRXNQ-UHFFFAOYSA-N",393677,NA,"PDBC52828","696053","Present",NA,NA
+"52829","STK664517",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK664517",NA,"CC1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C","XWTOJLSHBVULCC-UHFFFAOYSA-N",374277,NA,"PDBC52829","651778","Present",NA,NA
+"52830","STK673166",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK673166",NA,"CC1=CC2=C(C=C1)N3C=C(N=C3S2)C4=CC=C(C=C4)OC","XPUBULNOUXFYNL-UHFFFAOYSA-N",402995,NA,"PDBC52830","717468","Present",NA,NA
+"52831","STK673269",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK673269",NA,"CCCCCCCC(=O)NN=CC1=CC(=C(C=C1)SC2=NC=CN2C)[N+](=O)[O-]","QGMSIYWYHKUQCH-KGENOOAVSA-N",9572482,NA,"PDBC52831","717478","Present",NA,NA
+"52832","STK673452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK673452",NA,"CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3O)[N+](=O)[O-]","PLHDFTJRGZEFCG-RGVLZGJSSA-N",9552577,NA,"PDBC52832","717514","Present",NA,NA
+"52833","STK673670",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK673670",NA,"CCOC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=C(C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])O)O","BAUAMIRCWOSVHX-FSJBWODESA-N",135436289,NA,"PDBC52833","717541","Present",NA,NA
+"52834","STK673803",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK673803",NA,"CC1=NN(C(C1)(C2=CC=CC=C2)O)C(=O)CSC3=NN=C(S3)SCC(=O)N4C(CC(=N4)C)(C5=CC=CC=C5)O","KXYIQDMDGXBJFM-UHFFFAOYSA-N",396456,NA,"PDBC52834","702429","Present",NA,NA
+"52835","STK673848",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK673848",NA,"CN1C2=CC=CC=C2N3C1=NC(=C3N=O)C4=CC=CC=C4","CTLRNSMFCIIPOO-UHFFFAOYSA-N",403091,NA,"PDBC52835","717563","Present",NA,NA
+"52836","STK673880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK673880",NA,"CN1C=CN=C1SC2=C(C=C(C=C2)C=NC3=CC4=C(C=C3)N=C(S4)SCC(=O)NC5CCCCC5)[N+](=O)[O-]","FKUUALRUFNRKIU-UHFFFAOYSA-N",403094,NA,"PDBC52836","717566","Present",NA,NA
+"52837","STK676952",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK676952",NA,"CC1C(C(=C(C1(C#N)C#N)C#N)N)(C)[N+](=O)[O-]","RVWJDIMDWOLYAH-UHFFFAOYSA-N",387748,NA,"PDBC52837","681777","Present",NA,NA
+"52838","STK677116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK677116",NA,"CCN(CC)C1=CC=C(C=C1)C2NC3=CC=CC=C3C(=O)N2","HNXVXXIPESJDSF-UHFFFAOYSA-N",300574,NA,"PDBC52838","175637","Present",NA,NA
+"52839","STK678461",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK678461",NA,"CC1C2CC(C1(C)C)CC23OCC(O3)CCl","ARRMJBMUKXIDRB-UHFFFAOYSA-N",384031,NA,"PDBC52839","673142","Present",NA,NA
+"52840","STK679068",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK679068",NA,"CC1=NC2=C(C(=O)N1)SC(=S)N2C3=CC=CC=C3","SBNWDVUYFCQHKQ-UHFFFAOYSA-N",135403594,NA,"PDBC52840","652022","Present",NA,NA
+"52841","STK684183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK684183",NA,"COC1=C(C=C(C=C1)C=CC2=NC(=S)NN2)OC","TYYZIQLCEXHHHL-GQCTYLIASA-N",5294259,NA,"PDBC52841","634490","Present",NA,NA
+"52842","STK684752",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK684752",NA,"CC1=CC(=C(C=C1)C)COCCOCN2C3=C(C=C(C=C3)Br)C(=O)NC2=O","AJBVHJGNSORQLC-UHFFFAOYSA-N",395260,NA,"PDBC52842","699738","Present",NA,NA
+"52843","STK687015",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK687015",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(C2=O)C(C4=CC=C(C=C4)Cl)C5=C(C6=CC=CC=C6N(C5=O)C7=CC=CC=C7)O)O","ZNODYWNUWQTRKQ-UHFFFAOYSA-N",54687023,NA,"PDBC52843","642520","Present",NA,NA
+"52844","STK689992",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK689992",NA,"CCOC(=O)C(C(=O)OCC)C(C(F)(F)F)(C(F)(F)F)NC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OC","PAGRKQQWQGUZBZ-UHFFFAOYSA-N",383552,NA,"PDBC52844","671970","Present",NA,NA
+"52845","STK690050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK690050",NA,"CC1CN=C(S1)N(C2=CC(=CC=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl","PVRQPOJKMCLIQD-UHFFFAOYSA-N",383617,NA,"PDBC52845","672035","Present",NA,NA
+"52846","STK690127",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK690127",NA,"CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)N)CCN(C)C)C","UBZNRZZDKFWRFR-UHFFFAOYSA-N",393678,NA,"PDBC52846","696054","Present",NA,NA
+"52847","STK690787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK690787",NA,"CCOP(=O)(C(C)(C)OC(=O)NC(F)(F)F)OCC","FTLYMVODDOIMGW-UHFFFAOYSA-N",382506,NA,"PDBC52847","670113","Present",NA,NA
+"52848","STK690881",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK690881",NA,"CC1CN=C(S1)N(C2=CC=CC=C2)C(=O)NC3=CC=CC=C3","HSBQNSJYZKDWEL-UHFFFAOYSA-N",383606,NA,"PDBC52848","672024","Present",NA,NA
+"52849","STK690976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK690976",NA,"CC1CN=C(S1)N(C2=CC=CC=C2)C(=O)NC3=CC(=C(C=C3)F)Cl","ABCRPRBTFLEVML-UHFFFAOYSA-N",383619,NA,"PDBC52849","672037","Present",NA,NA
+"52850","STK690979",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK690979",NA,"CC1CN=C(S1)N(CC2=CC=C(C=C2)F)C(=O)NC3=CC=C(C=C3)Cl","COYZVTPYDRTTPJ-UHFFFAOYSA-N",383618,NA,"PDBC52850","672036","Present",NA,NA
+"52851","STK690992",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK690992",NA,"CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC(=CC=C1)F","MXOVSHPGEPHRFF-UHFFFAOYSA-N",383680,NA,"PDBC52851","672098","Present",NA,NA
+"52852","STK691020",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK691020",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC(=C(C=C1)F)Cl","ZRKQZIKBYJDQCC-UHFFFAOYSA-N",389134,NA,"PDBC52852","684819","Present",NA,NA
+"52853","STK691036",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK691036",NA,"C1C(SC(=N1)N(C2=C(C=C(C=C2)F)F)C(=O)NC3=CC=CC=C3)CI","MYXWVAAOLVVCHA-UHFFFAOYSA-N",389122,NA,"PDBC52853","684807","Present",NA,NA
+"52854","STK691038",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK691038",NA,"CC1CN=C(S1)N(C2CCCCC2)C(=O)NC3=CC=CC=C3","XOQYOZDMJTYGHL-UHFFFAOYSA-N",383616,NA,"PDBC52854","672034","Present",NA,NA
+"52855","STK697787",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK697787",NA,"CN1C=NC2=C1C(=O)N(C(=O)N2C)CCNCCO","GCBYEJFGRAZNDG-UHFFFAOYSA-N",386043,NA,"PDBC52855","677609","Present",NA,NA
+"52856","STK699781",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK699781",NA,"CC1=C(C=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)NN=CC3=CC=C(C=C3)[N+](=O)[O-]","SBIYCHORJOJXNT-DJKKODMXSA-N",6882718,NA,"PDBC52856","683616","Present",NA,NA
+"52857","STK700086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK700086",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=CN5C=CSC5=N4","OTFIBBSPZPBMHB-UHFFFAOYSA-N",403456,NA,"PDBC52857","718323","Present",NA,NA
+"52858","STK701172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK701172",NA,"CN1C2=C(N=C1N=NN(C)C)N(C(=O)N(C2=O)C)C","AZZFNPKVCVRPGF-OUKQBFOZSA-N",5469134,NA,"PDBC52858","683592","Present",NA,NA
+"52859","STK701173",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK701173",NA,"CC(C(C1=CC=CC=C1)O)N(C)N=NC2=NC3=C(N2)C(=O)N(C(=O)N3C)C","DKPWRKAANNQCOW-QZQOTICOSA-N",135493926,NA,"PDBC52859","683615","Present",NA,NA
+"52860","STK701176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK701176",NA,"CC1=NC2=C(N1)C=C(C=C2)N=NN(C)C","VADKDILSAFKYEB-UHFFFAOYSA-N",388579,NA,"PDBC52860","683591","Present",NA,NA
+"52861","STK701514",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK701514",NA,"C1=CC=C(C=C1)C2=NN(C=C2C=C3C(=O)NC(=S)S3)C4=CC=CC=C4","OXXLSKYAVUMAON-WJDWOHSUSA-N",1526878,NA,"PDBC52861","753907","Present",NA,NA
+"52862","STK706368",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK706368",NA,"C1=CC(=CC=C1C2=NN3C(=NN=C3S2)C4=CC=NC=C4)Cl","CIARWZKZGKXKHS-UHFFFAOYSA-N",403623,NA,"PDBC52862","718691","Present",NA,NA
+"52863","STK709455",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK709455",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)NC3=C(C=CC(=C3)Cl)Cl","UPLGTJFVIHONDV-UHFFFAOYSA-N",359684,NA,"PDBC52863","621099","Present",NA,NA
+"52864","STK710498",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK710498",NA,"CC1=NC2=CC=CC=C2C(=O)N1N=CC3=CC=C(C=C3)N(C)C","CHPVRKFQEYCBJU-XDHOZWIPSA-N",6861487,NA,"PDBC52864","685850","Present",NA,NA
+"52865","STK711315",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK711315",NA,"C1=CC=C(C=C1)COC2=CC=CC=C2C=NNC(=O)CSC3=NC=CC=N3","ZZCICVCTQYNJBR-YDZHTSKRSA-N",6877444,NA,"PDBC52865","717499","Present",NA,NA
+"52866","STK716556",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK716556",NA,"CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=C(C=CC=C3Cl)F","SBUANIAUGARJCP-UHFFFAOYSA-N",342450,NA,"PDBC52866","379399","Present",NA,NA
+"52867","STK719598",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK719598",NA,"CC1=C(N(C(=C1S(=O)(=O)C2=CC=CC=C2)NC(=O)C)CC3=CC=CC=C3)C","LHQUSTNHYRLWBI-UHFFFAOYSA-N",393679,NA,"PDBC52867","696055","Present",NA,NA
+"52868","STK720139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK720139",NA,"C1=CC=C(C=C1)C2C3C(NC(C(C3=O)C(N2)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6","ITTQAMYBEGYMAS-UHFFFAOYSA-N",275373,NA,"PDBC52868","122140","Present",NA,NA
+"52869","STK720588",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK720588",NA,"CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NC3=CC=C(C=C3)Cl","CZAZAFJTIGQKHD-UHFFFAOYSA-N",1550527,NA,"PDBC52869","690141","Present",NA,NA
+"52870","STK720596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK720596",NA,"CN1CCC2=C(C1)SC3=C2C(=S)NC(=S)N3","ZSDDOXAKPQMMSQ-UHFFFAOYSA-N",911734,NA,"PDBC52870","704840","Present",NA,NA
+"52871","STK722464",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK722464",NA,"CCOC(=O)C1=C(SC2=C1CCN(C2)C)NC(=S)NC3=CC=CC=C3","MVSAADYNNLGYHB-UHFFFAOYSA-N",1241200,NA,"PDBC52871","690140","Present",NA,NA
+"52872","STK725430",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK725430",NA,"CC1=C(C(=O)N=C(N1C2=CC=C(C=C2)C(=O)OC)C)C3=CC=CC=C3","XPTMGZAEBMBAFU-UHFFFAOYSA-N",379772,NA,"PDBC52872","664746","Present",NA,NA
+"52873","STK726577",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK726577",NA,"C1=CC=C2C(=C1)C=CC=C2C=C3C(=O)N4C5=CC=CC=C5N=C4S3","LSMSWMATNWABID-PDGQHHTCSA-N",825616,NA,"PDBC52873","633953","Present",NA,NA
+"52874","STK726773",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK726773",NA,"CC1=C(SC(=C1C#N)N=CC2=CNC3=CC=CC=C32)C","QWUZKLGMYXAWHL-DJKKODMXSA-N",135436283,NA,"PDBC52874","717497","Present",NA,NA
+"52875","STK728476",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK728476",NA,"CC1=NN=C2N1C3=CC=CC=C3N4C2=NN=C4C","RMWKZMYTLZKGLY-UHFFFAOYSA-N",370490,NA,"PDBC52875","643712","Present",NA,NA
+"52876","STK732196",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK732196",NA,"CC1=NC2=C(N1C)C(=O)C3=CC=CC=C3C2=O","DSABGXKNIWFVGX-UHFFFAOYSA-N",284925,NA,"PDBC52876","141313","Present",NA,NA
+"52877","STK741596",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK741596",NA,"C1=CC(=C(C=C1Cl)C=NC2=CNC(=O)NC2=O)O","QGYSILWPKRLXKZ-UHFFFAOYSA-N",404523,NA,"PDBC52877","720760","Present",NA,NA
+"52878","STK742124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK742124",NA,"COC1=CC=C(C=C1)C2=CC(N3C(=NN=N3)N2)C4=CC=CC=C4","IAWOUBLINIPCDL-UHFFFAOYSA-N",404638,NA,"PDBC52878","721066","Present",NA,NA
+"52879","STK744394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK744394",NA,"CN1C=NC(=C1SC2=NN=NN2C)[N+](=O)[O-]","KDJRUQCVYMLTGU-UHFFFAOYSA-N",364619,NA,"PDBC52879","631151","Present",NA,NA
+"52880","STK746463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK746463",NA,"C1CC2=NON=C2C(=O)NC1","HLLCOQBFTOLPAY-UHFFFAOYSA-N",379409,NA,"PDBC52880","663951","Present",NA,NA
+"52881","STK746611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK746611",NA,"C12=NNN=C1C3=NNN=C3C4=NNN=C24","ZDPWWLUQROVMON-UHFFFAOYSA-N",379401,NA,"PDBC52881","663943","Present",NA,NA
+"52882","STK746990",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK746990",NA,"COC(=O)C1=CC=CC=C1C2=C(C(C(=C(O2)N)C#N)C3=CC(=CC=C3)Br)[N+](=O)[O-]","CBDATKILVFMVJZ-UHFFFAOYSA-N",401625,NA,"PDBC52882","715322","Present",NA,NA
+"52883","STK753328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK753328",NA,"CC1(CC2=C(CO1)C3=C(C(=C2C#N)N)C(=O)OC3=O)C","HIFPDOZLKICRAD-UHFFFAOYSA-N",375111,NA,"PDBC52883","654234","Present",NA,NA
+"52884","STK755463",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK755463",NA,"CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3[N+](=O)[O-])[N+](=O)[O-]","YIYRDMKDZUOZFG-RGVLZGJSSA-N",9572479,NA,"PDBC52884","717462","Present",NA,NA
+"52885","STK755622",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK755622",NA,"CN1C=CN=C1SC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)F)[N+](=O)[O-]","XQEDXPRIFQVGQG-NHDPSOOVSA-N",5435288,NA,"PDBC52885","717469","Present",NA,NA
+"52886","STK755658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK755658",NA,"CC1=CC=CC=C1C(=O)NN=CC2=CC(=C(C=C2)SC3=NC=CN3C)[N+](=O)[O-]","NYUFFUQPTJBUIO-CIAFOILYSA-N",9558334,NA,"PDBC52886","717471","Present",NA,NA
+"52887","STK755769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK755769",NA,"C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CNC5=CC=CC=C54","JHOJINRCNRUROK-UHFFFAOYSA-N",403004,NA,"PDBC52887","717477","Present",NA,NA
+"52888","STK755898",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK755898",NA,"CC1=C(C(=NC(=N1)C)NN=CC=CC2=CC=CC=C2)CC=C","NQKHCTAIYDIWJU-FWBOJEOFSA-N",1550654,NA,"PDBC52888","717487","Present",NA,NA
+"52889","STK755911",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK755911",NA,"C1=CC=C2C(=C1)C(=CN2)CCN=CC3C(=NN(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F","ZRXOMABEDWDRJR-UHFFFAOYSA-N",403016,NA,"PDBC52889","717489","Present",NA,NA
+"52890","STK755939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK755939",NA,"CCOC1=C(C=CC(=C1)C2=C(N3C=CC=CC3=N2)N=CC4=C(C=CC(=C4)Br)O)O","GZHARWXYZUYVDT-ZMOGYAJESA-N",135436282,NA,"PDBC52890","717492","Present",NA,NA
+"52891","STK756244",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756244",NA,"CSC1=C(N(C2=CC=CC=C21)CC3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)Cl","PSWUWKSWXBQZGC-UHFFFAOYSA-N",403045,NA,"PDBC52891","717517","Present",NA,NA
+"52892","STK756272",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756272",NA,"CCCC1=CC=C(C=C1)OCC(=O)NN=CC2=C(NC3=CC=CC=C32)C4=CC=CC=C4","QOFSOJPQMZCILY-WPWMEQJKSA-N",135436286,NA,"PDBC52892","717518","Present",NA,NA
+"52893","STK756286",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756286",NA,"CC1=CC(=NC(=N1)SC(C)C(=O)NN=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C","VQXXVQALDYYTMQ-ZVHZXABRSA-N",9572485,NA,"PDBC52893","717519","Present",NA,NA
+"52894","STK756417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756417",NA,"C=CCC1=CC=CC=C1OCC(=O)NN=CC2=CNC3=CC=CC=C32","HNDBQWFUFSXFIJ-LPYMAVHISA-N",135436287,NA,"PDBC52894","717532","Present",NA,NA
+"52895","STK756453",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756453",NA,"C1=CC=C(C(=C1)C=NC2=C(N=C3N2C=CC=C3)C4=CC=CO4)OCC5=C(C=C(C=C5)Cl)Cl","DCEFEMYIKWORGF-RWPZCVJISA-N",9572488,NA,"PDBC52895","717533","Present",NA,NA
+"52896","STK756494",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756494",NA,"CC1=CC(=C(C=C1)C(C)C)OCC(=O)NN=CC2=CNC3=C2C=C(C=C3)Br","NXQQZMCDYUVBBV-BHGWPJFGSA-N",135436288,NA,"PDBC52896","717538","Present",NA,NA
+"52897","STK756785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756785",NA,"CC1=NC=CN1S(=O)(=O)C2=C(C=C(C=C2)Br)Br","MGOXBNGXLWRBOI-UHFFFAOYSA-N",403082,NA,"PDBC52897","717554","Present",NA,NA
+"52898","STK756791",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756791",NA,"C1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C=NNC4=C(C(=C(C(=C4F)F)C(F)(F)F)F)F","ZXFISPMCGIULDV-VNTWQREPSA-N",5341790,NA,"PDBC52898","717556","Present",NA,NA
+"52899","STK756832",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756832",NA,"CC1CCC(C(C1)OC(=O)CSC2=NC(=CC(=N2)C)C)C(C)C","FZBFKPLJBKXMHI-UHFFFAOYSA-N",403087,NA,"PDBC52899","717559","Present",NA,NA
+"52900","STK756899",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK756899",NA,"C1=CC=C2C(=C1)C(=CN2)C=NNC3=C(C(=C(C(=C3F)F)C(F)(F)F)F)F","FUWNJKLHICLIPY-HGBQSQDTSA-N",135436290,NA,"PDBC52900","717562","Present",NA,NA
+"52901","STK759573",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK759573",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=CC=C1F","BAXVDNKZDAGOTJ-UHFFFAOYSA-N",383675,NA,"PDBC52901","672093","Present",NA,NA
+"52902","STK761190",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK761190",NA,"CC1C2(C(=N)OC3(O1)CCCCC3C2(C#N)C#N)C#N","ZZCWZTUTWMUMIA-UHFFFAOYSA-N",387807,NA,"PDBC52902","681879","Present",NA,NA
+"52903","STK761207",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK761207",NA,"C1C2C(C(C(C(O1)O2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","JSRSLTCFTYHIRT-UHFFFAOYSA-N",390934,NA,"PDBC52903","689187","Present",NA,NA
+"52904","STK761344",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK761344",NA,"CC1=CC(=C(C=C1)C(=CC(=O)C(=O)C=C(C2=C(C=C(C=C2)C)C)O)O)C","AXOYPCRZROGMDX-YZLQMOBTSA-N",5290828,NA,"PDBC52904","707060","Present",NA,NA
+"52905","STK762189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK762189",NA,"CC1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3NC2=O)O","DQJJZVMFWIZHGZ-YBEGLDIGSA-N",135426824,NA,"PDBC52905","720447","Present",NA,NA
+"52906","STK763955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK763955",NA,"CC1C(C(=C(C1([N+](=O)[O-])Cl)N)C#N)(C#N)C#N","CWRGCDKIXIGGAV-UHFFFAOYSA-N",387749,NA,"PDBC52906","681778","Present",NA,NA
+"52907","STK763956",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK763956",NA,"COC1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC(=CC=C3)[N+](=O)[O-]","STDVTKCDSKGUQG-UHFFFAOYSA-N",387740,NA,"PDBC52907","681769","Present",NA,NA
+"52908","STK764362",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK764362",NA,"CC1=C(C(=NO1)C)N2N=C3C=CC4=NON=C4C3=N2","HGGNMXMIRWLMEI-UHFFFAOYSA-N",382092,NA,"PDBC52908","669451","Present",NA,NA
+"52909","STK764451",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK764451",NA,"CC1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)C(C)(C)C)C3=CC=C(C=C3)[N+](=O)[O-]","OVXZFXOPYORVNX-UHFFFAOYSA-N",404273,NA,"PDBC52909","720451","Present",NA,NA
+"52910","STK766740",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK766740",NA,"CCOC1=C(C=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-])OCC","BCJAUPOXJFTTNG-UHFFFAOYSA-N",376288,NA,"PDBC52910","657002","Present",NA,NA
+"52911","STK766820",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK766820",NA,"COC1=C(C=C(C=C1)C2C(=CC3=C(O2)C(=CC=C3)OC)[N+](=O)[O-])OC","XIYCSWUAXBKLHP-UHFFFAOYSA-N",381153,NA,"PDBC52911","667471","Present",NA,NA
+"52912","STK771611",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK771611",NA,"C1=CC=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)Cl","QWCCPFNBTXBJLC-UHFFFAOYSA-N",764370,NA,"PDBC52912","699747","Present",NA,NA
+"52913","STK777045",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK777045",NA,"C1=CC=C2C(=C1)N=C3N2C(=O)C4=C(C(=C(C(=C4S3)F)F)F)F","IIUYXSVKMWXCSD-UHFFFAOYSA-N",383498,NA,"PDBC52913","671883","Present",NA,NA
+"52914","STK786761",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK786761",NA,"CCC(=O)NC(C(F)(F)F)(C(F)(F)F)NC1=CC=CC=C1F","UOKORTHVNULANK-UHFFFAOYSA-N",383679,NA,"PDBC52914","672097","Present",NA,NA
+"52915","STK786811",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK786811",NA,"CCOC(=O)C(C(F)(F)F)(NCC1=CC=CC=C1)NC(=O)C2=CC=CC=C2","LQAQMULZKGRQLW-UHFFFAOYSA-N",389128,NA,"PDBC52915","684813","Present",NA,NA
+"52916","STK786814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK786814",NA,"CC1CN=C(S1)N(C2=CC(=C(C=C2)Cl)Cl)C(=O)NC3=CC=CC=C3","OHVWSBHQJCNHKC-UHFFFAOYSA-N",383607,NA,"PDBC52916","672025","Present",NA,NA
+"52917","STK788796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK788796",NA,"C1=CC=C(C=C1)C2C3=C(C4=C(C=CC=N4)C=C3)OC(=C2C#N)N","VNPNHFYNGHHFDS-UHFFFAOYSA-N",364824,NA,"PDBC52917","631583","Present",NA,NA
+"52918","STK788929",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK788929",NA,"CC1=CC(=C(C(=O)N1)C(C2=CC=NC=C2)C3=C(C=C(NC3=O)C)O)O","BAHJAYPEIUZAKO-UHFFFAOYSA-N",54697754,NA,"PDBC52918","311432","Present",NA,NA
+"52919","STK789452",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK789452",NA,"COC(=O)CC1=CC(=O)N2C3=CC=CC=C3NC2=C1C#N","QUKLZYRIMJLIOL-UHFFFAOYSA-N",364721,NA,"PDBC52919","631379","Present",NA,NA
+"52920","STK791667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK791667",NA,"C1CCN(CC1)CC2=NC(=NO2)C3=CC=C(C=C3)Cl","ZUFSDFSKQNAXID-UHFFFAOYSA-N",327070,NA,"PDBC52920","300545","Present",NA,NA
+"52921","STK794720",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK794720",NA,"C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=CC=C2)C(F)(F)F","BOCDRQDDEPQHIV-UHFFFAOYSA-N",384016,NA,"PDBC52921","673121","Present",NA,NA
+"52922","STK795112",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK795112",NA,"COC1=CC=CC=C1NC(=S)N=NC2=C(NC3=CC=CC=C32)O","IEZNDNUPRTZGQQ-UHFFFAOYSA-N",930589,NA,"PDBC52922","668503","Present",NA,NA
+"52923","STK795136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK795136",NA,"C1=CC(=CC=C1NC(=S)N=NC2=C(NC3=C2C=C(C=C3)Br)O)F","PSCATEPWKBMJOU-UHFFFAOYSA-N",1984902,NA,"PDBC52923","716771","Present",NA,NA
+"52924","STK801334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK801334",NA,"C1=CC(=CC=C1C=CC2=CC(=CC(=C2)OC3C(C(C(C(O3)CO)O)O)O)O)O","HSTZMXCBWJGKHG-UPHRSURJSA-N",5470019,NA,"PDBC52924","696476","Present",NA,NA
+"52925","STK803595",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK803595",NA,"COC1=C(C=CC(=C1)C=O)OC2=NN=NN2C3=CC=CC=C3","OEPJPTAWNNFNIP-UHFFFAOYSA-N",398233,NA,"PDBC52925","707834","Present",NA,NA
+"52926","STK805697",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK805697",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=C3)O","RSZWSKKQSBCVGA-UHFFFAOYSA-N",135426592,NA,"PDBC52926","701074","Present",NA,NA
+"52927","STK805705",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK805705",NA,"CC1=NC(=CS1)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O","GLWXFKNNQNFRQB-UHFFFAOYSA-N",389237,NA,"PDBC52927","684990","Present",NA,NA
+"52928","STK805785",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK805785",NA,"CC1=NC(=CS1)C2=CC3=C(C=CC4=CC=CC=C43)OC2=O","VNMJQBLLODGGKP-UHFFFAOYSA-N",389234,NA,"PDBC52928","684987","Present",NA,NA
+"52929","STK806141",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK806141",NA,"C1=CC=C2C(=C1)C=CC3=C2C4=C(C(=N3)C5=CC(=CC=C5)Br)C(=O)C6=CC=CC=C64","PGDOAPTVQYBNLL-UHFFFAOYSA-N",394734,NA,"PDBC52929","698402","Present",NA,NA
+"52930","STK806143",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK806143",NA,"CCN(CC)C1=CC=C(C=C1)C2C3=C(CCCC3=O)C4=C(N2)C=CC5=CC=CC=C54","IHUGPVCLVYKUTF-UHFFFAOYSA-N",394738,NA,"PDBC52930","698406","Present",NA,NA
+"52931","STK806155",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK806155",NA,"CN(C)C1=C2C(=CC=C3C2=C(CCC34C=CC(=O)C5=C4C=CC=C5N(C)C)C=C1)N(C)C","BUCXQKQWSZDMOG-UHFFFAOYSA-N",383780,NA,"PDBC52931","672227","Present",NA,NA
+"52932","STK807039",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK807039",NA,"COC(CN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)OC","IPQNHLBUWYQHDL-UHFFFAOYSA-N",357360,NA,"PDBC52932","615794","Present",NA,NA
+"52933","STK810513",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK810513",NA,"C1=CC=C(C=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4N3)N","LTPHMANJAFYCAC-UHFFFAOYSA-N",365506,NA,"PDBC52933","633186","Present",NA,NA
+"52934","STK820989",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK820989",NA,"CC1=CC=C(C=C1)C2=C(C(=O)NC(=N2)SC)C#N","NNIQEEQFVMOEPQ-UHFFFAOYSA-N",135445045,NA,"PDBC52934","686028","Present",NA,NA
+"52935","STK828375",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK828375",NA,"C1=CC(=CN=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CO3","RCSBRBMXPZDRNQ-GHXNOFRVSA-N",1372564,NA,"PDBC52935","329261","Present",NA,NA
+"52936","STK830483",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK830483",NA,"COC1=CC=C(C=C1)C2=CN3C=CSC3=N2","DHZNOEONHMHDQZ-UHFFFAOYSA-N",369507,NA,"PDBC52936","641287","Present",NA,NA
+"52937","STK832477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK832477",NA,"C1=CC=C2C(=C1)N=C(C(=O)O2)C=C(C3=CC=C(C=C3)Cl)O","BANXOUCTIGXFDK-ZROIWOOFSA-N",135450466,NA,"PDBC52937","682580","Present",NA,NA
+"52938","STK833289",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK833289",NA,"CC1=CC=C(C=C1)C(=CC2=NC3=CC=CC=C3OC2=O)O","LWKXKDSRUIRUIF-GDNBJRDFSA-N",135420902,NA,"PDBC52938","682584","Present",NA,NA
+"52939","STK833340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK833340",NA,"CC(C)(C)C1=CC(=NN1C2=CC=CC=C2)C3=NN(C(=C3)C(C)(C)C)C4=CC=CC=C4","DLGNUGVUKPQERU-UHFFFAOYSA-N",390368,NA,"PDBC52939","687707","Present",NA,NA
+"52940","STK833620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK833620",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C=NNC(=O)C3=CC=CC=C3O","CBICRZIRWSPYNP-UDWIEESQSA-N",6869212,NA,"PDBC52940","651700","Present",NA,NA
+"52941","STK833713",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK833713",NA,"C1C(O1)CN2C3=CC=CC=C3N(C2=O)CC4CS4","PVNJZTPYXVENIB-UHFFFAOYSA-N",374916,NA,"PDBC52941","653501","Present",NA,NA
+"52942","STK833715",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK833715",NA,"CC1(C(N(C(=N1)C(=O)C2=CC=CC=C2)O)(C3=CC=CC=C3)O)C","RASCYQMDJSGGPK-UHFFFAOYSA-N",379389,NA,"PDBC52942","663931","Present",NA,NA
+"52943","STK834713",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK834713",NA,"CCSC1=C(C2(CCCCC2)C3=C(N1)CC(CC3=O)(C)C)C#N","GHHBOEVYGHHKAY-UHFFFAOYSA-N",398165,NA,"PDBC52943","707697","Present",NA,NA
+"52944","STK834836",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK834836",NA,"COC1(C(CCC2=[N+](ON=C21)[O-])O)OC","YCKQVGQMORSQNB-UHFFFAOYSA-N",379419,NA,"PDBC52944","663961","Present",NA,NA
+"52945","STK837424",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK837424",NA,"CC1=CC=C(C=C1)C(=CC2=NC3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C(C4=CC=C(C=C4)C)O)O","NMFAWSNZMBACCX-CPZPTNFUSA-N",135481380,NA,"PDBC52945","682581","Present",NA,NA
+"52946","STK839136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK839136",NA,"C1=CC=C(C=C1)C2=NN(C3(S2)C4=CC=CC=C4C(S3)(C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7","HVPUQUYPZLOXNF-UHFFFAOYSA-N",375443,NA,"PDBC52946","655166","Present",NA,NA
+"52947","STK839301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK839301",NA,"CCOC(=O)C(=O)N=NC1=C(NC2=CC=CC=C21)O","YGEPQINLIMIKPR-UHFFFAOYSA-N",396300,NA,"PDBC52947","702013","Present",NA,NA
+"52948","STK842077",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK842077",NA,"CC1(CC(=O)C(C(C1C(=O)OC)C2=CC=C(C=C2)N(C)C)C(=O)OC)O","ZDBRIPNGYGPMKT-UHFFFAOYSA-N",386765,NA,"PDBC52948","679444","Present",NA,NA
+"52949","STK844929",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK844929",NA,"COC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3O2)O","NBUYXGHZLAQHCO-XYOKQWHBSA-N",135436357,NA,"PDBC52949","720662","Present",NA,NA
+"52950","STK845237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK845237",NA,"C1=CC=C2C(=C1)N=C(O2)C(=CC3=CN=CC=C3)C#N","QAYJPLYGOMSMJT-XYOKQWHBSA-N",5924627,NA,"PDBC52950","737748","Present",NA,NA
+"52951","STK846793",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK846793",NA,"C1=CC=C2C(=C1)N=C(S2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl","RJVOSSOGDUDYNO-UHFFFAOYSA-N",393001,NA,"PDBC52951","694253","Present",NA,NA
+"52952","STK853238",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK853238",NA,"COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O","QKLJNZJRPPHLQV-UHFFFAOYSA-N",389241,NA,"PDBC52952","684994","Present",NA,NA
+"52953","STK857322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK857322",NA,"C1=CC=C(C(=C1)CNC(=O)C2=C(C3=CC=CC=C3NC2=O)O)Cl","DUTARUSOSJPZRN-UHFFFAOYSA-N",54678957,NA,"PDBC52953","675974","Present",NA,NA
+"52954","STK860446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK860446",NA,"C1CCC2(CC1)C(C(=O)NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)Br)N)C#N","FLXVJMMEHYRKEO-UHFFFAOYSA-N",396187,NA,"PDBC52954","701735","Present",NA,NA
+"52955","STK860480",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK860480",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CC4=CC=C(C=C4)Cl)C#N","JGSVYPQYYKAXJW-OQLLNIDSSA-N",5469256,NA,"PDBC52955","684968","Present",NA,NA
+"52956","STK863043",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK863043",NA,"C1=CC=C2C(=C1)C=CC3=C2C=C(C(=O)O3)C4=NC5=CC=CC=C5S4","JPPWEIAVDSSHIT-UHFFFAOYSA-N",395991,NA,"PDBC52956","701115","Present",NA,NA
+"52957","STK864616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK864616",NA,"COC1=C(C=C(C=C1)C2CC(=NN2)C3=C(C4=CC=CC=C4C=C3)O)OC","VKFDUDUPVUIVOZ-UHFFFAOYSA-N",390441,NA,"PDBC52957","687795","Present",NA,NA
+"52958","STK865620",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK865620",NA,"C1=CC=C2C(=C1)C3=C(N2)N=C(N=N3)NN=CC4=CN=CC=C4","RSFGPHAYVGOZNX-RQZCQDPDSA-N",5771686,NA,"PDBC52958","361672","Present",NA,NA
+"52959","STK865746",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK865746",NA,"CCOC(=O)CN1C2=C(C=C(C=C2)Br)C3=NC4=CC=CC=C4N=C31","OFIDORUTRSFBQN-UHFFFAOYSA-N",394883,NA,"PDBC52959","698974","Present",NA,NA
+"52960","STK870541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK870541",NA,"C1=CC=C(C(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)F","ZBFXKXFADLCTFZ-ZROIWOOFSA-N",680816,NA,"PDBC52960","634475","Present",NA,NA
+"52961","STK871317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK871317",NA,"CC1=CC(=NC(=N1)NC2=NC3=C(N2)C=C(C=C3)[N+](=O)[O-])C","PRBHAYTUAONZLV-UHFFFAOYSA-N",3139687,NA,"PDBC52961","641446","Present",NA,NA
+"52962","STK871398",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK871398",NA,"C1CC2(NC3=CC=CC=C3N2C1=O)C4=CC=CC=C4","IIXONMQPWUMMAB-UHFFFAOYSA-N",368710,NA,"PDBC52962","639847","Present",NA,NA
+"52963","STK873996",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK873996",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=CS3)C(=O)O2","YWWRMWAWBUHZAY-FMIVXFBMSA-N",1549752,NA,"PDBC52963","157354","Present",NA,NA
+"52964","STK877442",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK877442",NA,"COC1=C(C=CC(=C1)C(C2=C(C3=CC=CC=C3OC2=O)O)C4=C(C5=CC=CC=C5OC4=O)O)O","SSUJVYSOEKAFBV-UHFFFAOYSA-N",54679390,NA,"PDBC52964","686392","Present",NA,NA
+"52965","STK878624",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK878624",NA,"C1=CC=C(C(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)[N+](=O)[O-]","YGDCSUPYSNHRJH-ZROIWOOFSA-N",830841,NA,"PDBC52965","633959","Present",NA,NA
+"52966","STK881210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK881210",NA,"COC1=CC=C(C=C1)C=CC2=NC(=S)NN2","SWKAJZUQUXPLLN-QPJJXVBHSA-N",5388279,NA,"PDBC52966","634474","Present",NA,NA
+"52967","STK889268",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK889268",NA,"CC1CC2C(N(N=C2C(=CC3=CC=C(C=C3)Cl)C1)C(=O)C)C4=CC=C(C=C4)Cl","OIQJDCCKLRKESC-QGOAFFKASA-N",6016840,NA,"PDBC52967","737017","Present",NA,NA
+"52968","STK897790",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK897790",NA,"CN(C)C1=CC=C(C=C1)C=NC23CC4CC(C2)CC(C4)C3","PXSHBCNEBGRJPO-UHFFFAOYSA-N",365172,NA,"PDBC52968","632382","Present",NA,NA
+"52969","STK917867",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK917867",NA,"CN(C)CCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O","AZFCDSPUTDVZDH-UHFFFAOYSA-N",149903,NA,"PDBC52969","748432","Present",NA,NA
+"52970","STK917962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK917962",NA,"CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)OC)O2","SPRSMBIGWRQSGU-MFOYZWKCSA-N",1644229,NA,"PDBC52970","657013","Present",NA,NA
+"52971","STK922248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK922248",NA,"C1=CC=C2C(=C1)C(OC2=O)CC(=O)C3=CC=CC=C3N","ADHXCTPQZSNIAI-UHFFFAOYSA-N",358819,NA,"PDBC52971","618888","Present",NA,NA
+"52972","STK923230",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK923230",NA,"CN(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C=C(C=C3)O","XWVDODMZYGXNEU-SXGWCWSVSA-N",1523065,NA,"PDBC52972","657011","Present",NA,NA
+"52973","STK947914",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK947914",NA,"C1=CC(=CC=C1N=NC2=C(NC3=C2C=C(C=C3)Br)O)[N+](=O)[O-]","XHZDNQZFBMGLTO-UHFFFAOYSA-N",4563026,NA,"PDBC52973","649165","Present",NA,NA
+"52974","STK953612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK953612",NA,"CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4C5=CC=C(C=C5)Cl)C#N","RLSHIPMJOSPBCL-UHFFFAOYSA-N",380602,NA,"PDBC52974","666277","Present",NA,NA
+"52975","STK953613",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK953613",NA,"CC1=CC=C(C=C1)N2CCC3=C2N4C5=CC=CC=C5N=C4C(=C3C)C#N","GTIRMXNUAWBMSE-UHFFFAOYSA-N",380604,NA,"PDBC52975","666279","Present",NA,NA
+"52976","STK953622",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK953622",NA,"CC1=C(C2=NC3=CC=CC=C3N2C4=C1CCN4CCC5=CC(=C(C=C5)OC)OC)C#N","QKTROTCJGIVMQM-UHFFFAOYSA-N",380607,NA,"PDBC52976","666282","Present",NA,NA
+"52977","STK953642",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK953642",NA,"CCCCCCN1CCC2=C1N3C4=CC=CC=C4N=C3C(=C2C)C#N","JZIPWWRAFZJKNC-UHFFFAOYSA-N",380605,NA,"PDBC52977","666280","Present",NA,NA
+"52978","STK956843",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK956843",NA,"CC1=CC=C(C=C1)C=NNC2=NC(=NC(=N2)NC3=CC=CC=C3)N4C(=CC(=N4)C)C","IYQLAMIKDXTRMQ-OEAKJJBVSA-N",9629800,NA,"PDBC52978","750639","Present",NA,NA
+"52979","STK979731",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK979731",NA,"C1=CC(=C(C=C1Cl)Cl)OCC(=O)NN=CC=CC2=CC=C(O2)[N+](=O)[O-]","QGAPJHGYXYHYAL-RFFZPADBSA-N",9572559,NA,"PDBC52979","720236","Present",NA,NA
+"52980","STK993185",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK993185",NA,"CC1=NN(C(=O)C1=C(SC)SC)C2=CC=CC=C2","WXQFUMIOXWCQJV-UHFFFAOYSA-N",390309,NA,"PDBC52980","687601","Present",NA,NA
+"52981","STK993537",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STK993537",NA,"CC1=CC=C(C=C1)C=C2CCS(=O)(=O)C3=CC=CC=C3C2=O","LCTSWQAHSZYQOF-NTCAYCPXSA-N",5938081,NA,"PDBC52981","691557","Present",NA,NA
+"52982","STL016940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL016940",NA,"C1=CC=NC(=C1)NC2=NC(=CS2)C3=CC=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]","ULQUMRVXJWEDFK-UHFFFAOYSA-N",367869,NA,"PDBC52982","638035","Present",NA,NA
+"52983","STL019769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL019769",NA,"C1=CC=C2C(=C1)NC(=O)C(S2)CC(=O)NC3=C(C=CC(=C3)Cl)Cl","CCMSAWHHMHLLHC-UHFFFAOYSA-N",366132,NA,"PDBC52983","634419","Present",NA,NA
+"52984","STL020394",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL020394",NA,"CC1=C(C=C(C=C1)NC(=O)CC2C(=O)NC3=CC=CC=C3S2)C","BIJWKKGGOMXGSX-UHFFFAOYSA-N",366861,NA,"PDBC52984","635840","Present",NA,NA
+"52985","STL023578",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL023578",NA,"CCOC(=O)C1=C(SC2=C1CC(CC2)C)N","USOZAPSHCJNFRA-UHFFFAOYSA-N",402542,NA,"PDBC52985","716566","Present",NA,NA
+"52986","STL044409",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL044409",NA,"C1=CC=C(C=C1)C(=CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)O","YJDDCKDPBIBXON-ZROIWOOFSA-N",135426681,NA,"PDBC52986","707053","Present",NA,NA
+"52987","STL045647",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL045647",NA,"COC1=CC=C(C=C1)C2C=C(NC3=NN=NN23)C4=CC=CC=C4","WYRNEYAZTKWHPI-UHFFFAOYSA-N",404637,NA,"PDBC52987","721065","Present",NA,NA
+"52988","STL050306",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL050306",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC(CCC(=O)N)C(=O)O","MCEOSFLPPNZGRR-UHFFFAOYSA-N",363148,NA,"PDBC52988","627732","Present",NA,NA
+"52989","STL069639",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL069639",NA,"CC(=O)N1C(CC(=N1)C2=C(C3=CC=CC=C3C=C2)O)C4=CC(=C(C=C4)OC)OC","NBYYSHWZVCHIJM-UHFFFAOYSA-N",390446,NA,"PDBC52989","687800","Present",NA,NA
+"52990","STL069707",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL069707",NA,"C1=C(OC(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)NC2=O","DGSJDBUSEFOXTL-UHFFFAOYSA-N",5210989,NA,"PDBC52990","645851","Present",NA,NA
+"52991","STL085378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL085378",NA,"C1=CC=C2C(=C1)C=C(C(=N)O2)C(=O)NC3=CC=CC=N3","VRQQCBVFRIKJDL-UHFFFAOYSA-N",395961,NA,"PDBC52991","701085","Present",NA,NA
+"52992","STL115764",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL115764",NA,"C1CCC2(CC1)C(C(=O)N3CCSC3=C2C#N)C#N","GGSWTWGDZHIJTB-UHFFFAOYSA-N",396186,NA,"PDBC52992","701734","Present",NA,NA
+"52993","STL115792",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL115792",NA,"COC1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O","JTORYCJGTIZNQS-MHWRWJLKSA-N",5469260,NA,"PDBC52993","684983","Present",NA,NA
+"52994","STL115795",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL115795",NA,"C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O","JUBIEYVDBZOHNL-MHWRWJLKSA-N",5469255,NA,"PDBC52994","684967","Present",NA,NA
+"52995","STL115798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL115798",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)C(=CC4=CC=C(C=C4)F)C#N","QWECBUMJIXTOGY-OQLLNIDSSA-N",5469262,NA,"PDBC52995","684985","Present",NA,NA
+"52996","STL123886",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL123886",NA,"C1=CC=C(C=C1)CC2=NN=C(O2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl","JKOLYFQYUYNLGQ-UHFFFAOYSA-N",375288,NA,"PDBC52996","654805","Present",NA,NA
+"52997","STL135952",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL135952",NA,"C1=CC=C(C=C1)N2C3=C(C(=O)NC(=S)N3)SC2=S","VNBOMQWABBZKEZ-UHFFFAOYSA-N",3004397,NA,"PDBC52997","650588","Present",NA,NA
+"52998","STL141036",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL141036",NA,"CCCCCCC1=C(C=C2C(=C1)C=C(C(=O)O2)C3=CN4C=CSC4=N3)O","XDNHQDLQOFFCCW-UHFFFAOYSA-N",5470856,NA,"PDBC52998","705896","Present",NA,NA
+"52999","STL145325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL145325",NA,"C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=NC5=CC=CC=C5F","LIXXXCZHBUTYLW-UHFFFAOYSA-N",400036,NA,"PDBC52999","711222","Present",NA,NA
+"53000","STL147558",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL147558",NA,"C1=CC(=CC2=C(NC(=S)NC2=O)O)N=C1","KPHGEZLPBSUOJG-SNAWJCMRSA-N",135499231,NA,"PDBC53000","645852","Present",NA,NA
+"53001","STL151178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL151178",NA,"C1=CC=C(C=C1)C(=CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O","STBHFUGEKVMJSL-DHDCSXOGSA-N",135403094,NA,"PDBC53001","682582","Present",NA,NA
+"53002","STL157724",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL157724",NA,"C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N4C2=NNC4=S","BBOIHUVLVRRIDB-UHFFFAOYSA-N",2363240,NA,"PDBC53002","666359","Present",NA,NA
+"53003","STL163607",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL163607",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4C(=O)N3","LSTGGMRIDCOATB-UHFFFAOYSA-N",135454375,NA,"PDBC53003","684977","Present",NA,NA
+"53004","STL169589",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL169589",NA,"C1C2CC3CC1CC(C2)(C3)C4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]","YGBTUCBJPTYOKK-UHFFFAOYSA-N",380437,NA,"PDBC53004","665960","Present",NA,NA
+"53005","STL170800",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL170800",NA,"C1=C(SC(=C1)Br)C=C2C(=O)NC(=S)N2","QYPWTJFZSHMSHJ-HYXAFXHYSA-N",5468923,NA,"PDBC53005","679236","Present",NA,NA
+"53006","STL173755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL173755",NA,"CC1=CC(=C(C(=O)O1)C(=NNC(=O)C2=CC=CC=C2O)C)O","SBZOHJIAHKMQJG-CXUHLZMHSA-N",135483936,NA,"PDBC53006","635342","Present",NA,NA
+"53007","STL174301",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL174301",NA,"CCSC1=NC(=S)N(C(=C1C(=O)C)C)C2=CC=CC=C2","HSYLQPSFIPXJIF-UHFFFAOYSA-N",392982,NA,"PDBC53007","694224","Present",NA,NA
+"53008","STL182001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL182001",NA,"CC1=CC=CC=C1NC(=S)N=NC2=C(NC3=CC=CC=C32)O","BGVRRYMGWCWTRE-UHFFFAOYSA-N",2169056,NA,"PDBC53008","668500","Present",NA,NA
+"53009","STL192071",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL192071",NA,"CC1=CC(=C(C=C1)C(=O)C=CC2=CC=CC=C2O)C","UURALUILAZJMAY-CSKARUKUSA-N",5805594,NA,"PDBC53009","636986","Present",NA,NA
+"53010","STL193422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL193422",NA,"C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C6=CC=C(C=C6)Cl","RKSVAMZXEHUASG-UHFFFAOYSA-N",380431,NA,"PDBC53010","665954","Present",NA,NA
+"53011","STL193423",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL193423",NA,"C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C6=CC=CC=C6F","TXFVMSUBINNSBV-UHFFFAOYSA-N",380432,NA,"PDBC53011","665955","Present",NA,NA
+"53012","STL221392",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL221392",NA,"C1C2CC3CC1CC(C2)(C3)C4=NN=C5N4N=C(S5)C6=CC=CS6","CQNMCASGAWPODH-UHFFFAOYSA-N",380434,NA,"PDBC53012","665957","Present",NA,NA
+"53013","STL226052",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL226052",NA,"CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCOCC4","DBUOOZDIFIQTDM-UHFFFAOYSA-N",375024,NA,"PDBC53013","653850","Present",NA,NA
+"53014","STL231636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL231636",NA,"C1=CN=CC=C1C=C2C(=O)NC(=O)N2","JFEGQPTZCCZRSJ-FNORWQNLSA-N",5467670,NA,"PDBC53014","657721","Present",NA,NA
+"53015","STL234804",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL234804",NA,"COC1(C2(C3=C(CCC3)NC(C2(C(=N1)N)C#N)C4=CC=CC=C4)C#N)OC","KJCNTJWPQJELGD-UHFFFAOYSA-N",394332,NA,"PDBC53015","697701","Present",NA,NA
+"53016","STL253119",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL253119",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=CC=CC3=CC=CC=C3","CUIJFGBJFDLIGS-XXNYPEFKSA-N",1550644,NA,"PDBC53016","717365","Present",NA,NA
+"53017","STL257912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL257912",NA,"C1=CC=C2C(=C1)NC(=N2)NN=CC3=CC=C(O3)[N+](=O)[O-]","NYANUJCLKSCNMT-NTUHNPAUSA-N",9572306,NA,"PDBC53017","710916","Present",NA,NA
+"53018","STL258993",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL258993",NA,"C1=CC=C(C=C1)S(=O)(=O)NN=CC2=CC(=C(C=C2)Cl)Cl","GYSLQVDXCNSXJS-CXUHLZMHSA-N",5350114,NA,"PDBC53018","623222","Present",NA,NA
+"53019","STL263939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL263939",NA,"CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","PQKKAHBPYRVGDV-UHFFFAOYSA-N",375283,NA,"PDBC53019","654800","Present",NA,NA
+"53020","STL263940",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL263940",NA,"CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(O2)CC3=CC=CC=C3","OMLIGEGEEIZZAX-UHFFFAOYSA-N",375285,NA,"PDBC53020","654802","Present",NA,NA
+"53021","STL264933",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL264933",NA,"C1C(=NN2C(=NN=C2S1)COC3=C(C=C(C=C3)Cl)Cl)C4=CC=CC=C4","FRYJFBBCGRBCDL-UHFFFAOYSA-N",364167,NA,"PDBC53021","629867","Present",NA,NA
+"53022","STL267082",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL267082",NA,"CC1=CC=C(C=C1)NC(=S)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C","UXLZJWUGMCFOQG-UHFFFAOYSA-N",1342047,NA,"PDBC53022","693337","Present",NA,NA
+"53023","STL281370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL281370",NA,"CCOC(=O)CC1=CSC2=NCCN12","IWXSEVRNVJJFOY-UHFFFAOYSA-N",365869,NA,"PDBC53023","633944","Present",NA,NA
+"53024","STL282496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL282496",NA,"CC1=CC=C(C=C1)CC2=NC(=S)NN2","YLKFBMUHZZLZOT-UHFFFAOYSA-N",3005252,NA,"PDBC53024","686975","Present",NA,NA
+"53025","STL282765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL282765",NA,"C1C(=NN2C(=NN=C2S1)COC3=CC=CC=C3)C4=CC=CC=C4","OGBLILIOLBZJAL-UHFFFAOYSA-N",364166,NA,"PDBC53025","629866","Present",NA,NA
+"53026","STL293636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL293636",NA,"C1=CC=C(C=C1)C2=CSC(=N2)N=CC3=CC=CC=C3O","LFUVACDYVZZJCD-LICLKQGHSA-N",135468241,NA,"PDBC53026","256904","Present",NA,NA
+"53027","STL297538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL297538",NA,"C1=CC=NC(=C1)NC(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=N","AQOXYQPGTRAERF-UHFFFAOYSA-N",395958,NA,"PDBC53027","701082","Present",NA,NA
+"53028","STL298324",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL298324",NA,"CC(=O)CC1(C(C(=C(O1)N)C#N)(C#N)C#N)C","BZYUZQMPIVNRAG-UHFFFAOYSA-N",387795,NA,"PDBC53028","681867","Present",NA,NA
+"53029","STL298328",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL298328",NA,"CC1(CC2(C(C1(C(=N)O2)C#N)(C#N)C#N)C)C","PERGIMFAIDAJHC-UHFFFAOYSA-N",387753,NA,"PDBC53029","681782","Present",NA,NA
+"53030","STL298547",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL298547",NA,"CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N=NN(C)C)CC3CO3","ZAGBBAZLBVIKEV-CCEZHUSRSA-N",5469136,NA,"PDBC53030","683603","Present",NA,NA
+"53031","STL298582",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL298582",NA,"C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=CC6=CC=CC=C6OC5=O","NYWZORGKOTVQOJ-UHFFFAOYSA-N",384963,NA,"PDBC53031","675793","Present",NA,NA
+"53032","STL301188",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL301188",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=C(C(=O)NC4=O)F","UMCZCTVLNYHIEM-UHFFFAOYSA-N",387540,NA,"PDBC53032","681450","Present",NA,NA
+"53033","STL303914",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL303914",NA,"CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4","OCQBPPDGVADKGE-UHFFFAOYSA-N",365884,NA,"PDBC53033","633961","Present",NA,NA
+"53034","STL320963",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL320963",NA,"CN(C)N1C(CC(C1=C(C#N)C#N)C2=CC=CC=C2)C#N","AMENDCIFUITQOR-UHFFFAOYSA-N",387788,NA,"PDBC53034","681860","Present",NA,NA
+"53035","STL320978",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL320978",NA,"C1=CC=C(C=C1)C(=CC(=O)C(=O)NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])O","GQNQUENYEQAHKJ-ZROIWOOFSA-N",5470452,NA,"PDBC53035","702012","Present",NA,NA
+"53036","STL321271",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL321271",NA,"C1CC2=NO[N+](=C2C3=NON=C31)[O-]","RXNVQNJDGIDUQO-UHFFFAOYSA-N",379423,NA,"PDBC53036","663965","Present",NA,NA
+"53037","STL321281",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL321281",NA,"COC1(CCCC2=[N+](ON=C21)[O-])OC","FTCXPFRAZMKWRS-UHFFFAOYSA-N",379418,NA,"PDBC53037","663960","Present",NA,NA
+"53038","STL321592",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL321592",NA,"C1=CC=C(C(=C1)N2N=C3C=CC4=NON=C4C3=N2)O","KIACNIKPMWVBNY-UHFFFAOYSA-N",382090,NA,"PDBC53038","669449","Present",NA,NA
+"53039","STL321689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL321689",NA,"C1C(=C(C2(C1(C(=C(C2)C=O)N)C#N)C#N)N)C=O","QHFQDPOTWPBWAH-UHFFFAOYSA-N",387758,NA,"PDBC53039","681787","Present",NA,NA
+"53040","STL321802",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL321802",NA,"CC1CC2C(C1(C(=N)O2)C#N)(C#N)C#N","LVPLGJCWQLAVSY-UHFFFAOYSA-N",387791,NA,"PDBC53040","681863","Present",NA,NA
+"53041","STL321831",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL321831",NA,"CC1CC(=NN(C)C)C2(C1(C(N=C2N)(OC)OC)C#N)C#N","BUIQTGWZFUSRJP-VXLYETTFSA-N",9571540,NA,"PDBC53041","681862","Present",NA,NA
+"53042","STL322405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL322405",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)C)OCC","ZYEKTXIDNGLXRD-UHFFFAOYSA-N",383654,NA,"PDBC53042","672072","Present",NA,NA
+"53043","STL322739",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL322739",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=CC(=C1)C)NC(=O)C2=CC(=CC=C2)Cl","RSOOEDHQKJLZDR-UHFFFAOYSA-N",389138,NA,"PDBC53043","684823","Present",NA,NA
+"53044","STL322846",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL322846",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=CC=C1OC","WZXXNPYPOLXNDD-UHFFFAOYSA-N",383676,NA,"PDBC53044","672094","Present",NA,NA
+"53045","STL322861",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL322861",NA,"CC1=C(C(=NN1C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OC(C)C)OC(C)C)C(=O)C","JTISWPYCZLQYRM-UHFFFAOYSA-N",374422,NA,"PDBC53045","652133","Present",NA,NA
+"53046","STL323004",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL323004",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)F)NC(=O)C","VDIPNGWREPJZLR-UHFFFAOYSA-N",383681,NA,"PDBC53046","672099","Present",NA,NA
+"53047","STL323035",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL323035",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)NC1=CC=C(C=C1)Cl)OC","FVWDIFJPYUFGTJ-UHFFFAOYSA-N",383655,NA,"PDBC53047","672073","Present",NA,NA
+"53048","STL323365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL323365",NA,"C1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=C(C=C3)Cl)N","LIVKPUJDLLFZJG-UHFFFAOYSA-N",399615,NA,"PDBC53048","710524","Present",NA,NA
+"53049","STL323390",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL323390",NA,"CN1C2=CC=CC=C2C(=C(C1=O)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)O","XJGCSIWHKDCZPK-UHFFFAOYSA-N",54680427,NA,"PDBC53049","675791","Present",NA,NA
+"53050","STL323673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL323673",NA,"CC(C)OP(=O)(C1=NN(C(=N)S1)C2=CC=C(C=C2)[N+](=O)[O-])OC(C)C","XFHJNLBQXZWIHV-UHFFFAOYSA-N",374418,NA,"PDBC53050","652129","Present",NA,NA
+"53051","STL323771",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL323771",NA,"C1C(S1)CN2C3=CC=CC=C3N(C2=O)CC4CS4","BLQKTHPAQXWWSX-UHFFFAOYSA-N",374921,NA,"PDBC53051","653506","Present",NA,NA
+"53052","STL324241",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL324241",NA,"COC1=CC2=C(C=C1)OC(=O)C(=C2)C3=CSC(=N3)C4=CC=CC=C4","VQCUKZRPXAZGDX-UHFFFAOYSA-N",389238,NA,"PDBC53052","684991","Present",NA,NA
+"53053","STL325708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL325708",NA,"C1=CC=C(C=C1)C=NN2C(C(C(=C2N)C#N)(C#N)C#N)C3=CC=CC=C3","AUBYSFDBSAOOQJ-BRJLIKDPSA-N",9556239,NA,"PDBC53053","681761","Present",NA,NA
+"53054","STL325798",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL325798",NA,"CC1(C2CCC1(C(C2)NC(=O)CCN3CCOCC3)C)C","YXXRVERJCNRUEY-UHFFFAOYSA-N",376004,NA,"PDBC53054","656384","Present",NA,NA
+"53055","STL325954",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL325954",NA,"CCOC(=O)CC(=O)NC1CC2CCC1(C2(C)C)C","DSJMNWFFCQVCOJ-UHFFFAOYSA-N",379928,NA,"PDBC53055","665120","Present",NA,NA
+"53056","STL325962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL325962",NA,"C1C2CC3CC1CC(C2)(C3)C4=CSC(=N4)NC(=O)C5=C(C6=CC=CC=C6NC5=O)O","WANQKVAYNIWVHC-UHFFFAOYSA-N",54680426,NA,"PDBC53056","675790","Present",NA,NA
+"53057","STL327174",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL327174",NA,"C1=CC(=C(C(=C1)Cl)CN2C=C(C(=O)N(C2=O)CC3=C(C=CC=C3Cl)Cl)F)Cl","HZHUEKUZQLHQCE-UHFFFAOYSA-N",386256,NA,"PDBC53057","677999","Present",NA,NA
+"53058","STL328796",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL328796",NA,"COC1=CC=C(C=C1)NC2=CNC(=O)NC2=O","REQUYQKTHSNJBA-UHFFFAOYSA-N",248922,NA,"PDBC53058","66580","Present",NA,NA
+"53059","STL328821",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL328821",NA,"COC(=O)C1=CC=C(O1)CC2=CC=C(O2)C(=O)OC","YBJWZTFYWFFRFR-UHFFFAOYSA-N",372639,NA,"PDBC53059","648093","Present",NA,NA
+"53060","STL333334",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL333334",NA,"CC(C)C(N(C)C(=NC#N)N)P(=O)(OC(C)C)OC(C)C","SSMBDQQPDWPTGO-UHFFFAOYSA-N",385501,NA,"PDBC53060","676750","Present",NA,NA
+"53061","STL333343",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL333343",NA,"CC1(OCC(CO1)(CO)CO)C","RECJHOHNSXVBQN-UHFFFAOYSA-N",373708,NA,"PDBC53061","650609","Present",NA,NA
+"53062","STL334553",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL334553",NA,"C1CCN(CC1)C(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","NSXJBTFGLJLMOV-FYWRMAATSA-N",1617552,NA,"PDBC53062","673150","Present",NA,NA
+"53063","STL335698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL335698",NA,"CN1C2=CC=CC=C2N=C1C(=CC3=CC=C(C=C3)N(C)C)C#N","QNTMIOYOSPBKQS-NTCAYCPXSA-N",5710552,NA,"PDBC53063","748512","Present",NA,NA
+"53064","STL337664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL337664",NA,"C1=CC=C2C(=C1)N=C(C(=N2)NS(=O)(=O)C3=CC=C(C=C3)N)NC4=CC=C(C=C4)S(=O)(=O)N","BHEUWDZRNPUSFW-UHFFFAOYSA-N",389569,NA,"PDBC53064","685876","Present",NA,NA
+"53065","STL337682",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL337682",NA,"CN(C)C1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=C(C=CC5=CC=CC=C54)OC3=O","OHBURKFGNGOZIM-UHFFFAOYSA-N",389244,NA,"PDBC53065","684997","Present",NA,NA
+"53066","STL337688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL337688",NA,"COC1=CC=C(C=C1)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O","APJJFRKDEMKDHS-UHFFFAOYSA-N",389240,NA,"PDBC53066","684993","Present",NA,NA
+"53067","STL338661",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL338661",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3=NC=CN3C4=NC5=CC=CC=C5N=C24)N","HYXKTHDUWYMDRJ-UHFFFAOYSA-N",375028,NA,"PDBC53067","653854","Present",NA,NA
+"53068","STL338719",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL338719",NA,"CN1C2=CC=CC=C2N3C1=C(C(=O)C4=C3N=CC=C4)C#N","GNPMESIGMJRUQB-UHFFFAOYSA-N",393017,NA,"PDBC53068","694265","Present",NA,NA
+"53069","STL344638",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL344638",NA,"CC1=CC=C(C=C1)C(=CC(=O)C(=O)NC23CC4CC(C2)CC(C4)C3)O","RLGOWIDYKKKRCH-NVMNQCDNSA-N",5465662,NA,"PDBC53069","658712","Present",NA,NA
+"53070","STL347560",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL347560",NA,"C1=CC=C(C=C1)S(=O)(=O)N=C2C(=C(C3=CC=CC=C3C2=O)[O-])[N+]4=CC=CC(=C4)C(=O)N","SJQDUPTVSJZANT-UHFFFAOYSA-N",54694509,NA,"PDBC53070","685896","Present",NA,NA
+"53071","STL349468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL349468",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC3=NNC(=S)N3N","SMTDLWAHPPQDJO-UHFFFAOYSA-N",2783973,NA,"PDBC53071","635422","Present",NA,NA
+"53072","STL352912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL352912",NA,"COC1=CC=C(C=C1)C2=NN=C(O2)C3=CC=NC=C3","QGXSXPVCFLKHQV-UHFFFAOYSA-N",380227,NA,"PDBC53072","665703","Present",NA,NA
+"53073","STL353017",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL353017",NA,"C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CSC(=N3)CC#N","WNOYVVGSHNVEQK-UHFFFAOYSA-N",389225,NA,"PDBC53073","684978","Present",NA,NA
+"53074","STL356502",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL356502",NA,"C1=CC=C(C=C1)CC(=O)N=NC2=C(NC3=CC=CC=C32)O","ODEGIZBDYBJTTG-UHFFFAOYSA-N",388108,NA,"PDBC53074","682573","Present",NA,NA
+"53075","STL360951",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL360951",NA,"CN(C)C1=CC=C(C=C1)C=C(C#N)C2=NC(=CS2)C3=CC4=CC=CC=C4OC3=O","RZVDFFDMRTUESQ-GZTJUZNOSA-N",5469261,NA,"PDBC53075","684984","Present",NA,NA
+"53076","STL365451",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL365451",NA,"CSC1=NN=C(O1)COC2=CC=C(C=C2)Cl","LSCBKEVFJYSLPM-UHFFFAOYSA-N",366517,NA,"PDBC53076","635126","Present",NA,NA
+"53077","STL386325",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL386325",NA,"CCOC(=O)CSC1=NC(=C(C(=O)N1)C#N)C2=CC=CC=C2","XXDPYJIHUCJSEF-UHFFFAOYSA-N",135439528,NA,"PDBC53077","686030","Present",NA,NA
+"53078","STL389460",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL389460",NA,"CC1(CC2=C(C(=O)C1)C(=NN2)N)C","JMIRWOXRWVCQDR-UHFFFAOYSA-N",389857,NA,"PDBC53078","686488","Present",NA,NA
+"53079","STL417727",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL417727",NA,"CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC(=CC=C3)OC","XXAPLSBTEZZRIL-UHFFFAOYSA-N",375274,NA,"PDBC53079","654791","Present",NA,NA
+"53080","STL417734",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL417734",NA,"CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)NC3=CC=C(C=C3)OC","PTDRVHHAGXUUMZ-UHFFFAOYSA-N",375275,NA,"PDBC53080","654792","Present",NA,NA
+"53081","STL417757",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL417757",NA,"CC1=CC=CC=C1NC(=O)CSC2=NN=C(O2)C3=CC=C(C=C3)NC(=O)C","AWMUBGWJMIIPNL-UHFFFAOYSA-N",375271,NA,"PDBC53081","654788","Present",NA,NA
+"53082","STL421264",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL421264",NA,"CC(=O)N1C(OC(C2=CC=CC=C21)(C)C)C(Cl)(Cl)Cl","OEFAUGUOGQAXKE-UHFFFAOYSA-N",397599,NA,"PDBC53082","705940","Present",NA,NA
+"53083","STL433604",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL433604",NA,"COC1=CC(=CC(=C1OC)OC)C=CC(=O)C2=CC(=C(C(=C2)OC)OC)OC","WOJJYHZSZSSQJL-BQYQJAHWSA-N",6145900,NA,"PDBC53083","96356","Present",NA,NA
+"53084","STL434863",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL434863",NA,"C#CC1(C(OC(C1O)N2C=CC(=O)NC2=O)CO)O","KNGMLOFYXFWJLZ-UHFFFAOYSA-N",394348,NA,"PDBC53084","697730","Present",NA,NA
+"53085","STL435531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL435531",NA,"C1=CC(=CC=C1C2=CC(=C(C(=O)N2)C#N)C3=CC=C(C=C3)Cl)NC4=C5C=CC(=CC5=NC=C4)Cl","CNYZIPKMSKYKGA-UHFFFAOYSA-N",396043,NA,"PDBC53085","701370","Present",NA,NA
+"53086","STL436378",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436378",NA,"C1C(N2C3=CC=CC=C3N=C2NC1=O)C4=CC=CC=C4","LVGOOYNXKOWFLW-UHFFFAOYSA-N",388456,NA,"PDBC53086","683386","Present",NA,NA
+"53087","STL436609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436609",NA,"C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)NC3=CC=CC=C3","GUZBMRIUKWZKTN-UHFFFAOYSA-N",388604,NA,"PDBC53087","683612","Present",NA,NA
+"53088","STL436610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436610",NA,"CC1=CSC(=N1)NNC(=O)NC2=CC=CC=C2","XXWCVEGUTRGGAV-UHFFFAOYSA-N",389951,NA,"PDBC53088","686654","Present",NA,NA
+"53089","STL436619",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436619",NA,"CNC(=O)C1=C(N=CN1)N=NN(C)N","YAISKKCLVGFVMQ-VAWYXSNFSA-N",135493931,NA,"PDBC53089","684048","Present",NA,NA
+"53090","STL436623",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436623",NA,"CCOC(=O)C1=C(SN=N1)NC(=O)NCCCCCCN2C(=O)N(C(=O)N(C2=O)CCCCCCNC(=O)NC3=C(N=NS3)C(=O)OCC)CCCCCCNC(=O)NC4=C(N=NS4)C(=O)OCC","CSRXZUMDRCMOBG-UHFFFAOYSA-N",388839,NA,"PDBC53090","684034","Present",NA,NA
+"53091","STL436691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436691",NA,"C1COCCN1C2=NN3C=C(N=C3S2)C4=CC=CC=C4","VBPFWPWYXAQQLX-UHFFFAOYSA-N",388600,NA,"PDBC53091","683609","Present",NA,NA
+"53092","STL436708",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436708",NA,"C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)C(F)(F)F","ALLLYMWJRWSPIZ-UHFFFAOYSA-N",389952,NA,"PDBC53092","686655","Present",NA,NA
+"53093","STL436874",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436874",NA,"CC1=CC=C(C=C1)N2C(=O)C(=NN2)C#N","ZGQWPHWCUZSZQM-UHFFFAOYSA-N",388582,NA,"PDBC53093","683594","Present",NA,NA
+"53094","STL436890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436890",NA,"C1=CC(=CC=C1N2C(=O)C(=NN2)C#N)Br","SLHWKFOMZNTFPD-UHFFFAOYSA-N",388861,NA,"PDBC53094","684055","Present",NA,NA
+"53095","STL436921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436921",NA,"CCOC1=NN=NC2=C1NC=N2","BCOZPDYBVYJCNR-UHFFFAOYSA-N",5466296,NA,"PDBC53095","684049","Present",NA,NA
+"53096","STL436927",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436927",NA,"CCOC(=O)C1=C(N=CN1)N=NN(C)N","PKKQHWKRXDTZOM-VAWYXSNFSA-N",135493929,NA,"PDBC53096","684044","Present",NA,NA
+"53097","STL437892",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL437892",NA,"CN1C(=C(C(=N1)N)N=NC2=CC=C(C=C2)OC)N","NWQQBZKPONFZBT-UHFFFAOYSA-N",228622,NA,"PDBC53097","21681","Present",NA,NA
+"53098","STL437902",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL437902",NA,"CC1=CC=C(C=C1)N=NC2=C(N(N=C2N)C3=CC=CC=C3)N","LQUJINAWYUSZNG-UHFFFAOYSA-N",228624,NA,"PDBC53098","21683","Present",NA,NA
+"53099","STL445768",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL445768",NA,"CN(C)N=NC1=CC(=C(C=C1CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC)OC","JKXDSDLQMLPPKS-UHFFFAOYSA-N",388611,NA,"PDBC53099","683619","Present",NA,NA
+"53100","STL445833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL445833",NA,"CC1=CC(=NN1C2=NC(=CS2)C)C","JEFRVCKLXOOWNK-UHFFFAOYSA-N",388857,NA,"PDBC53100","684051","Present",NA,NA
+"53101","STL445932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL445932",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)N=O","GHSGEDJZTQNMRM-UHFFFAOYSA-N",388851,NA,"PDBC53101","684045","Present",NA,NA
+"53102","STL446444",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL446444",NA,"CC1=CC(=C(C=C1)C2=NNC(=C2)C3=CC(=NN3)C4=C(C=C(C=C4)C)C)C","XJIUXIJADCKFIU-UHFFFAOYSA-N",398009,NA,"PDBC53102","707081","Present",NA,NA
+"53103","STL453064",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL453064",NA,"C1COCCOC2=C(C=C(C=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4)OCCOCCO1","ZDQFHECIPZVTJG-UHFFFAOYSA-N",376524,NA,"PDBC53103","657483","Present",NA,NA
+"53104","STL455155",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL455155",NA,"C1=CC=C(C(=C1)C=C2C(=O)N3C4=CC=CC=C4N=C3S2)O","HOTBCGMFEULSFG-ZROIWOOFSA-N",683298,NA,"PDBC53104","634479","Present",NA,NA
+"53105","STL485501",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL485501",NA,"CCOC(=O)C1=C(SN=N1)NC(=O)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(=O)NC4=C(N=NS4)C(=O)OCC","JMILYTJKJYXVML-UHFFFAOYSA-N",388614,NA,"PDBC53105","683621","Present",NA,NA
+"53106","STL487843",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL487843",NA,"CC(=O)NC1=CC=CC(=C1)C2=CC(N3C(=NC=N3)N2)C4=CC(=C(C(=C4)OC)OC)OC","VMSJHPMZOGNWCG-UHFFFAOYSA-N",5164236,NA,"PDBC53106","745693","Present",NA,NA
+"53107","STL488753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL488753",NA,"CCCCN(C1=CC=CC=C1)C2=NC=NC3=C2C=NN3C","YPXCQEIIUYVWPW-UHFFFAOYSA-N",223744,NA,"PDBC53107","11656","Present",NA,NA
+"53108","STL495941",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL495941",NA,"C1C(C2=C(NC1=O)N=C(NC2=O)N)C3=CC=CC=C3","UUGDEEFHTZJKDE-UHFFFAOYSA-N",135407295,NA,"PDBC53108","696471","Present",NA,NA
+"53109","STL503275",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL503275",NA,"CN(C)C1=NC2=NON=C2N=C1NC3=CC=CC=C3","JXIQPNJBGBTEOW-UHFFFAOYSA-N",394428,NA,"PDBC53109","697880","Present",NA,NA
+"53110","STL503934",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL503934",NA,"CCOC(=O)C1=CC=C(C=C1)N=C2C(=CC3=C(O2)C=CC(=C3)OC)C4=NC5=CC=CC=C5N4","CCYIGQNCLXTSGT-UHFFFAOYSA-N",400037,NA,"PDBC53110","711223","Present",NA,NA
+"53111","STL505784",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL505784",NA,"COC(=O)CSC1=NNC(=N1)C2=CC=CC=C2","UQDLUZLOSOQAKN-UHFFFAOYSA-N",362215,NA,"PDBC53111","625818","Present",NA,NA
+"53112","STL507546",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL507546",NA,"C1=C2C(=C(C(=C1[N+](=O)[O-])N(CCO)CCO)[N+](=O)[O-])NC(=O)N2","YKTFOXDSBGSDCM-UHFFFAOYSA-N",5471898,NA,"PDBC53112","715220","Present",NA,NA
+"53113","STL507958",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL507958",NA,"CC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)O","VIDPPAQOCSVKGA-UHFFFAOYSA-N",362210,NA,"PDBC53113","625811","Present",NA,NA
+"53114","STL516976",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL516976",NA,"C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)NCCO","IMQKBAGAPSFKOB-UHFFFAOYSA-N",364145,NA,"PDBC53114","629815","Present",NA,NA
+"53115","STL517193",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL517193",NA,"CN(CC1=C(C(=O)C=C(O1)CO)O)CC(=O)O","SBEZLLAIJPHZIH-UHFFFAOYSA-N",271326,NA,"PDBC53115","114831","Present",NA,NA
+"53116","STL523755",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL523755",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)C5=CN=CC=C5","CXCKDYOPDOUJTL-UHFFFAOYSA-N",334956,NA,"PDBC53116","342610","Present",NA,NA
+"53117","STL523890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL523890",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=CC=CO5","ZPFUGHSCVQWWBR-UHFFFAOYSA-N",334472,NA,"PDBC53117","339703","Present",NA,NA
+"53118","STL525987",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL525987",NA,"COC(=O)C1CC2C(N1C(=O)OC)N(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4","AKYNJSOECBBYGA-NJAFHUGGSA-N",385402,NA,"PDBC53118","676577","Present",NA,NA
+"53119","STL526428",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL526428",NA,"COC1=CC=C(C=C1)N2C(=O)CC(C2=O)C3=CNC4=CC=CC=C43","IJEFRJDBAXYOIS-UHFFFAOYSA-N",381738,NA,"PDBC53119","668598","Present",NA,NA
+"53120","STL552707",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL552707",NA,"CC1C2CC(C1(C)C)CC(=O)N2","QWRJNGSCBGJLPO-UHFFFAOYSA-N",376012,NA,"PDBC53120","656392","Present",NA,NA
+"53121","STL553706",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL553706",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CN=CC=C3)C(=O)O2","VLVHAYVBYFGEEF-LCYFTJDESA-N",1551558,NA,"PDBC53121","177881","Present",NA,NA
+"53122","STL553882",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL553882",NA,"COC1=CC(=CC(=C1O)OC)C=C2C3=CC=CC=C3NC2=O","YSERLISPSDGHNH-GHXNOFRVSA-N",2437106,NA,"PDBC53122","752702","Present",NA,NA
+"53123","STL553884",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL553884",NA,"COC1=C(C=C(C=C1)C=C2C3=CC=CC=C3NC2=O)OC","NWARFCHBQFFBGZ-LCYFTJDESA-N",727477,NA,"PDBC53123","650598","Present",NA,NA
+"53124","STL574872",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL574872",NA,"CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)OC(C)(C)C","VUYWLCHFKCFCNH-UHFFFAOYSA-N",381418,NA,"PDBC53124","668006","Present",NA,NA
+"53125","STL575361",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL575361",NA,"C1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC=NC=C4","DNDCOGGKUHMNKS-UHFFFAOYSA-N",402986,NA,"PDBC53125","717459","Present",NA,NA
+"53126","STO609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STO609",NA,NA,NA,NA,NA,NA,3467590,NA,"PDBC53126",NA,"Absent",NA,NA
+"53127","STR04330",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STR04330",NA,"C1C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O","WOSVXXBNNCUXMT-VERZDPOYSA-N",252253,NA,"PDBC53127","73712","Present",NA,NA
+"53128","STREPTIMIDONE, (+)-9-METHYL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STREPTIMIDONE, (+)-9-METHYL",NA,"CC=CC(=CC(C)C(=O)CC(CC1CC(=O)NC(=O)C1)O)C","ATUBIBZJAGAIBW-QSRWPRAKSA-N",54610820,NA,"PDBC53128","248958","Present",NA,NA
+"53129","STZSA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STZSA",NA,"C(CC(=O)O)C(=O)NC1=NN=C(S1)S(=O)(=O)N","VEHPJMWKEUDKJE-UHFFFAOYSA-N",133125,NA,"PDBC53129","698987","Present",NA,NA
+"53130","SULFONE, 2-CHLOROETHYL p-CHLOROPHENYL",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: g2swr dg",NA,"C1=CC(=CC=C1S(=O)(=O)CCCl)Cl","KXQHTLXSDBXWNB-UHFFFAOYSA-N",27745,NA,"PDBC53130","196185","Present",NA,NA
+"53131","SW-033291",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SW-033291",NA,"CCCCS(=O)C1=C(C2=C(S1)N=C(C=C2C3=CC=CC=C3)C4=CC=CS4)N","LCYAYKSMOVLVRL-UHFFFAOYSA-N",3337839,NA,"PDBC53131","787269","Present",NA,NA
+"53132","SW-044248",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SW-044248",NA,"CCC(C(=O)NC1=CC=CC=C1OC)SC2=NC3=C(C4=CC=CC=C4N3CC)N=N2","PEVRGVRHMMZNGI-UHFFFAOYSA-N",3152990,NA,"PDBC53132","789797","Present",NA,NA
+"53133","SWNKZFSGGJUUGT-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SWNKZFSGGJUUGT-UHFFFAOYSA-N",NA,"C[Si](C)(C)C#CCO[Si](C)(C)C","SWNKZFSGGJUUGT-UHFFFAOYSA-N",359338,NA,"PDBC53133","620124","Present",NA,NA
+"53134","SXNXKYNKWRNHMW-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SXNXKYNKWRNHMW-UHFFFAOYSA-N",NA,"C1CC(C1)(CO)COC2=CC(=NC(=N2)N)Cl","SXNXKYNKWRNHMW-UHFFFAOYSA-N",385279,NA,"PDBC53134","676390","Present",NA,NA
+"53135","Saffron oil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"crocetin",NA,"CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O","PANKHBYNKQNAHN-JTBLXSOISA-N",6450930,NA,"PDBC53135","407300","Present",NA,NA
+"53136","Saframycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Saframycin A",NA,"CC1=C(C(=O)C2=C(C1=O)CC3C4C5=C(CC(N4C)C(N3C2CNC(=O)C(=O)C)C#N)C(=O)C(=C(C5=O)OC)C)OC","JNEGMBHBUAJRSX-UHFFFAOYSA-N",462199,NA,"PDBC53136","325663","Present",NA,NA
+"53137","Saframycin AR1(AH2), methycarbinol deriv.-, stereoisomer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Saframycin AR1(AH2), methycarbinol deriv.-, stereoisomer",NA,NA,NA,NA,NA,"PDBC53137","652903","Present",NA,NA
+"53138","Saframycin R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Saframycin R",NA,"CC1=C(C2=C(C(N3C(C2)C4C5=C(CC(C3C#N)N4C)C(=O)C(=C(C5=O)OC)C)CNC(=O)C(=O)C)C(=C1OC)O)OC(=O)CO","OBXNNTHNWJZCST-HPGFDKJQSA-N",341380,NA,"PDBC53138","373355","Present",NA,NA
+"53139","Sakacin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sakacin A",NA,"CC(NC(=O)C(CC(=O)O)N)NC(=O)N(C)C(C)(C)C","ACQJWVPNGVNRCD-UHFFFAOYSA-N",382302,NA,"PDBC53139","669764","Present",NA,NA
+"53140","Sakacin P",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sakacin P",NA,"CC(C(=O)C(=O)N)NC(=O)OC(C)(C)C","VMETVXNVLXCEFC-UHFFFAOYSA-N",383827,NA,"PDBC53140","672444","Present",NA,NA
+"53141","Sakuranin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sakuranin",NA,"COC1=CC2=C(C(=O)CC(O2)C3=CC=C(C=C3)O)C(=C1)OC4C(C(C(C(O4)CO)O)O)O","NEPMMBQHELYZIW-UHFFFAOYSA-N",348162,NA,"PDBC53141","407308","Present",NA,NA
+"53142","Salarin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Salarin A",NA,"CCCCCCCC(=O)OCCC=CC1C(O1)C2C(C3C(O3)CCC(=CC(=O)N(C(=O)C=CC=CC(=O)O2)C(=O)C)C)OC(=O)NC(=O)C","KQVPLNKIWHZUGZ-VFVKEPLOSA-N",24766296,NA,"PDBC53142","750153","Present",NA,NA
+"53143","Salarin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salarin C",NA,"CCCCCCCC(=O)OCCC=CC1C(O1)C2C(C3C(O3)CCC(=CC4=NC(=C(O4)C)C=CC=CC(=O)O2)C)OC(=O)NC(=O)C","KHGGKINOQOIBEV-PRBAJBALSA-N",24867082,NA,"PDBC53143","750154","Present",NA,NA
+"53144","Salazinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salazic acid",NA,"CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3CO)O)C(=O)OC4O)C=O)O","QQTKVXCQLZIJPP-UHFFFAOYSA-N",5320418,NA,"PDBC53144","87509","Present",NA,NA
+"53145","Salazosulfamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oftazol",NA,"C1=CC(=CC=C1N=NC2=CC(=C(C=C2)O)C(=O)O)S(=O)(=O)N","NBSRUZQXRUNPNY-UHFFFAOYSA-N",67316,NA,"PDBC53145","27236","Present",NA,NA
+"53146","Salicylaldehyde benzoyl hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sab hydrazone",NA,"C1=CC=C(C=C1)C(=O)NN=CC2=CC=CC=C2O","WKIWEDKDZPIULI-XNTDXEJSSA-N",135400584,NA,"PDBC53146","148180","Present",NA,NA
+"53147","Salicylaldehyde phenyl hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27251898",NA,"C1=CC=C(C=C1)NN=CC2=CC=CC=C2O","SERARPRVBWDEBA-UVTDQMKNSA-N",135460273,NA,"PDBC53147","68558","Present",NA,NA
+"53148","Salicylaldehyde, (5-nitro-2-pyridyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-144130",NA,"C1=CC=C(C(=C1)C=NNC2=NC=C(C=C2)[N+](=O)[O-])O","WBHPJBOSCFRQFT-VGOFMYFVSA-N",135538374,NA,"PDBC53148","42428","Present",NA,NA
+"53149","Salicylaldehyde, semicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Hydroxybenzaldehyde semicarbazone",NA,"C1=CC=C(C(=C1)C=NNC(=O)N)O","IZXDQSKCOWSUOG-BJMVGYQFSA-N",135466838,NA,"PDBC53149","1604","Present",NA,NA
+"53150","Salicylamide, 5-chloro-N-(3-hydroxypropyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Salicylamide, 5-chloro-N-(3-hydroxypropyl)-",NA,"C1=CC(=C(C=C1Cl)C(=O)NCCCO)O","ZLTAZLVRBUEHDS-UHFFFAOYSA-N",245913,NA,"PDBC53150","58329","Present",NA,NA
+"53151","Salicylanilide, 3'-chloro-5-[(2-chloro-4-nitrophenyl)azo]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salicylanilide, 3'-chloro-5-[(2-chloro-4-nitrophenyl)azo]-",NA,"C1=CC(=CC(=C1)Cl)NC(=O)C2=C(C=CC(=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl)O","GDXQTBCVFFUYAF-UHFFFAOYSA-N",282274,NA,"PDBC53151","135618","Present",NA,NA
+"53152","Salicylanilide, 4'-chloro-3-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: wnr bq cvmr dg",NA,"C1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)NC2=CC=C(C=C2)Cl","UOHLBUBEMXVTMQ-UHFFFAOYSA-N",80982,NA,"PDBC53152","22899","Present",NA,NA
+"53153","Salicylanilide, 4'-chloro-5-nitro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: wnr dq cvmr dg",NA,"C1=CC(=CC=C1NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])O)Cl","CDYKTFABNOULII-UHFFFAOYSA-N",80981,NA,"PDBC53153","27097","Present",NA,NA
+"53154","Salicylic acid propargylester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Salicylic acid propargylester",NA,"C#CCOC(=O)C1=CC=CC=C1O","OOHHZKNXGNWUHN-UHFFFAOYSA-N",390924,NA,"PDBC53154","689145","Present",NA,NA
+"53155","Salicylidene salicylhydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salicyl n-salicylidenehydrazide",NA,"C1=CC=C(C(=C1)C=NNC(=O)C2=CC=CC=C2O)O","OMCYEZUIYGPHDJ-OQLLNIDSSA-N",135445765,NA,"PDBC53155","87864","Present",NA,NA
+"53156","Salicyluric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salicyluric acid",NA,"C1=CC=C(C(=C1)C(=O)NCC(=O)O)O","ONJSZLXSECQROL-UHFFFAOYSA-N",10253,NA,"PDBC53156","87566","Present",NA,NA
+"53157","Salinomycin sodium salt hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salinomycin",NA,"CCC(C1CCC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C(=O)O.[Na+]","YPZYGIQXBGHDBH-MDCHIEGPSA-N",60147550,NA,"PDBC53157","751548","Present",NA,NA
+"53158","Salirasib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685986///Salirasib",NA,"CC(=CCCC(=CCCC(=CCSC1=CC=CC=C1C(=O)O)C)C)C","WUILNKCFCLNXOK-CFBAGHHKSA-N",5469318,NA,"PDBC53158","685986///755771","Present",NA,NA
+"53159","Salmeterol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Salmeterol",NA,NA,"C1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)O)CO)O","GIIZNNXWQWCKIB-UHFFFAOYSA-N",5152,NA,"PDBC53159",NA,"Absent",NA,NA
+"53160","Salpichrolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Salpichrolide A",NA,"CC(C1CC2(C(O2)(C(O1)O)C)C)C3=CC4=C(C=C3)C5CC6C7(O6)CC=CC(=O)C7(C5CC4)C","CPHPTFZOHUSPRV-RVTAUAKJSA-N",6712055,NA,"PDBC53160","654207","Present",NA,NA
+"53161","Salvilenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Salvilenone",NA,"CC1=C2C=CC3=C4C2=C(C=C1)C(=O)C(=C4OC3(C)C)C(C)C","WDBJFWOOWQREKA-UHFFFAOYSA-N",389885,NA,"PDBC53161","686514","Present",NA,NA
+"53162","Samarcandin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Samarcandin",NA,"CC1(C2CCC(C(C2(CCC1O)C)COC3=CC4=C(C=C3)C=CC(=O)O4)(C)O)C","WNANPKYNOALKIV-IIWYAODKSA-N",5459231,NA,"PDBC53162","655153","Present",NA,NA
+"53163","Samarium(III) Ionophore II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,2,3,4]Tetrathiocino[5,6-d:7,8-d']diimidazole- 2,9-dit...",NA,"CCN1C2=C(N(C1=S)CC)SSSSC3=C2N(C(=S)N3CC)CC","UCISCPCNYYIDSW-UHFFFAOYSA-N",365480,NA,"PDBC53163","633113","Present",NA,NA
+"53164","Samioside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Samioside",NA,"CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)OC5C(C(CO5)(CO)O)O","MYTQIOQLRFFFEC-QPJJXVBHSA-N",45027867,NA,"PDBC53164","729652","Present",NA,NA
+"53165","Sancycline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bonomycin",NA,"CN(C)C1C2CC3CC4=C(C(=CC=C4)O)C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O.Cl","CIJFGLCHAOVWRZ-QKYUADJBSA-N",54712662,NA,"PDBC53165","51812","Present",NA,NA
+"53166","Sandoricin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sandoricin",NA,"CC(=O)OC1CC2C(=C)C3(C1(C(OC(=O)C3O)C4=COC=C4)C)OC5C2(C(C(C(C5)OC(=O)C)(C)C)CC(=O)OC)C","FPZCLGWPFTXULY-BPCKSTTASA-N",360416,NA,"PDBC53166","622491","Present",NA,NA
+"53167","Sangivamycin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sangivamycin Hydrochloride",NA,"C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=O)N.Cl","WTSGTUMQZSEZIW-UHFFFAOYSA-N",5351239,NA,"PDBC53167","143648","Present",NA,NA
+"53168","Sangivamycin, 6-aminothio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sangivamycin, 6-aminothio-",NA,"C1=NC(=C2C(=C(N(C2=N1)C3C(C(C(O3)CO)O)O)N)C(=S)N)N","HPCAEYRDTFITHI-UHFFFAOYSA-N",4033014,NA,"PDBC53168","180525","Present",NA,NA
+"53169","Sanguilutine pseudobase",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sanguilutine pseudobase",NA,"CN1C2=C(C=CC3=CC(=C(C=C32)OC)OC)C4=C(C1=O)C(=C(C=C4OC)OC)OC","MPXWNNCONPUOGM-UHFFFAOYSA-N",371258,NA,"PDBC53169","645317","Present",NA,NA
+"53170","Sanguinarine, 8CI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sanguinarine nitrate",NA,"CN1C=C2C(=C3C1=C4C=C5C(=CC4C=C3)OCO5)C=CC6=C2OCO6.[N+](=O)(O)O","VSJBSQHXURXHMK-UHFFFAOYSA-N",6332031,NA,"PDBC53170","59270","Present",NA,NA
+"53171","Santalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SANTALIN",NA,"COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)CCCC3)O","KZHZAOMCJXXGII-UHFFFAOYSA-N",246331,NA,"PDBC53171","59267","Present",NA,NA
+"53172","Santowhite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"swp (van)",NA,"CCCC(C1=CC(=C(C=C1C)O)C(C)(C)C)C2=CC(=C(C=C2C)O)C(C)(C)C","PFANXOISJYKQRP-UHFFFAOYSA-N",6815,NA,"PDBC53172","67485","Present",NA,NA
+"53173","Sapacitabine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sapacitabine",NA,"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)O)C#N","LBGFKUUHOPIEMA-PEARBKPGSA-N",153970,NA,"PDBC53173","791785","Present",NA,NA
+"53174","Sapindoside A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sapindoside a",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)CO)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)C)C)C)O)O)O)O)O","KEOITPILCOILGM-UHFFFAOYSA-N",267360,NA,"PDBC53174","106553","Present",NA,NA
+"53175","Saponaceolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Saponaceolide A",NA,"CC1(C(CCC(=C)C1CC=C2C(COC2=O)O)CCC3CCC4(C5(CCC(O4)(C(O5)(C)C)O)C)OC3)C","XBFKDCJZZMKUOR-AYGNAITBSA-N",54601989,NA,"PDBC53175","624482","Present",NA,NA
+"53176","Saponaceolide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Saponaceolide B",NA,"CC1(C(CCC(=C)C1CC=C2CCOC2=O)CCC3CCC4(C5(CCC(O4)(C(O5)(C)C)O)C)OC3)C","SCWVCRCOVNDPJB-REYSLUJISA-N",5468843,NA,"PDBC53176","677576","Present",NA,NA
+"53177","Saprothoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Saprothoquinone",NA,"CC1=C(C2=C(C=C1)C=C(C(=O)C2=O)C(C)C)CCC=C(C)C","FWJDKZSXXFWHPR-UHFFFAOYSA-N",372741,NA,"PDBC53177","648341","Present",NA,NA
+"53178","Sarcodonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sarcodonin",NA,"CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)O)O)C(C)CC)[O-])O","ULLCSSTZNGODKE-KRNPDVCNSA-N",404538,NA,"PDBC53178","720786","Present",NA,NA
+"53179","Sarcodonin alpha",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sarcodonin alpha",NA,"CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)O)O)O)C(C)CC)[O-])O","ZRUOGCKQVBXKOD-RUDWDYDBSA-N",404540,NA,"PDBC53179","720788","Present",NA,NA
+"53180","Sarcodonin peracetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sarcodonin peracetate",NA,"CCC(C)C1=C([N+]2(C(C(=O)N1OC(=O)C)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)OC(=O)C)OC(=O)C)C(C)CC)[O-])OC(=O)C","XJNAEQGZDXDILG-LNGGRNHPSA-N",404981,NA,"PDBC53180","721621","Present",NA,NA
+"53181","Sarcorucinine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sarcorucinine A",NA,"CC(C1=CC=C2C1(CCC3C2CCC4C3(CCC(C4)N(C)C)C)C)N(C)C=O","RDMXTBHNRSLEKA-BXWAMVFZSA-N",374413,NA,"PDBC53181","652123","Present",NA,NA
+"53182","Sarcovagine c",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sarcovagine c",NA,"CC=C(C)C(=O)NC1CCC2(C(C1OC(=O)C)CCC3C2CCC4(C3CCC4C(C)N(C)C)C)C","PYRZUULULPXFOM-JYCZEJBLSA-N",54612864,NA,"PDBC53182","748914","Present",NA,NA
+"53183","Sarcoviolin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sarcoviolin",NA,"CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=O)C(=C(C4=O)O)C5=CC=C(C=C5)O)O)C(C)CC)[O-])O","HEXAABFDZKPMQT-UHFFFAOYSA-N",24202820,NA,"PDBC53183","726045","Present",NA,NA
+"53184","Saridegib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Saridegib",NA,"CC1CC2C(C(C3(O2)CCC4C5CCC6CC(CCC6(C5CC4=C(C3)C)C)NS(=O)(=O)C)C)NC1","HZLFFNCLTRVYJG-HKTDDREISA-N",25033029,NA,"PDBC53184","767123","Present",NA,NA
+"53185","Sarkomycin, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sarkomycin",NA,"C=C1C(CCC1=O)C(=O)O.[Na+]","NNMFPNTZRUUSQZ-UHFFFAOYSA-N",24182187,NA,"PDBC53185","14347","Present",NA,NA
+"53186","Sarmustine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SarCNU",NA,"CN(CC(=O)N)C(=O)N(CCCl)N=O","HYHJFNXFVPGMBI-UHFFFAOYSA-N",100773,NA,"PDBC53186","364432","Present",NA,NA
+"53187","Sarnovid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sarnovid",NA,"CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3C(CC5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC)O","SOPZOCCINHAAOP-UHFFFAOYSA-N",276294,NA,"PDBC53187","123977","Present",NA,NA
+"53188","Sarothrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sarothrin",NA,"COC1=C(C(=C2C(=C1O)C(=O)C(=C(O2)C3=CC=C(C=C3)O)OC)OC)O","KHZSFBNUQVEEQR-UHFFFAOYSA-N",5386960,NA,"PDBC53188","618931","Present",NA,NA
+"53189","Sarracenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sarracenin",NA,"CC1C2C3CC(O1)OC2OC=C3C(=O)OC","QGBCGMGBGAHJIT-UHFFFAOYSA-N",427877,NA,"PDBC53189","224069","Present",NA,NA
+"53190","Sarveroside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sarveroside",NA,NA,NA,NA,NA,"PDBC53190","123978","Present",NA,NA
+"53191","Saz VII 23",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC644246",NA,"CC(C)N1CC2CC(C1)CN(C2)C(=O)C3=CC=CC=C3.OCl(=O)(=O)=O","NUYPCKIZNDHNFG-UHFFFAOYSA-N",195816,NA,"PDBC53191","644246","Present",NA,NA
+"53192","Saz-VII-22",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Saz-VII-22",NA,"CC(C)N1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)Cl","FTABKDGWKNKXQJ-UHFFFAOYSA-N",195596,NA,"PDBC53192","644247","Present",NA,NA
+"53193","Scarlet Red Sulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"scarlet red sulfonate",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)N=NC4=CC=CC=C4S(=O)(=O)O)S(=O)(=O)O)O","RYUPVRNBWXCXBA-UHFFFAOYSA-N",407917,NA,"PDBC53193","10469","Present",NA,NA
+"53194","Scarlet red",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rubren",NA,"CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O)C","RCTGMCJBQGBLKT-UHFFFAOYSA-N",62330,NA,"PDBC53194","10472","Present",NA,NA
+"53195","Sceptrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sceptrin",NA,"C1=C(NC=C1Br)C(=O)NCC2C(C(C2C3=CN=C(N3)N)C4=CN=C(N4)N)CNC(=O)C5=CC(=CN5)Br.Cl","HOHLZEDCMZEBPO-SZENRMOTSA-N",360197,NA,"PDBC53195","622170","Present",NA,NA
+"53196","Schembl20574369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-8-Methoxy-3-(3-(2-methoxyphenyl)-3-oxoprop-1-enyl)qu...",NA,"COC1=CC=CC=C1C(=O)C=CC2=CC3=C(C(=CC=C3)OC)NC2=O","KMTXOHJJHMCMLQ-ZHACJKMWSA-N",137350559,NA,"PDBC53196","795903","Present",NA,NA
+"53197","Schembl20586431",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC801133",NA,"COC1=C(C=C(C(=C1)C=CC2=CC(=NN2C3=CC(=CC(=C3)F)F)C=CC4=CC(=C(C=C4F)OC)OC)F)OC","PYGGQQZLYOFPGZ-KQQUZDAGSA-N",137360892,NA,"PDBC53197","801133","Present",NA,NA
+"53198","Schembl20631599",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,2,2-Trifluoroethoxy)pyrimidine-2,4(1H,3H)-dione",NA,"C1=C(C(=O)NC(=O)N1)OCC(F)(F)F","VBTUWUDVMCGFAN-UHFFFAOYSA-N",371637,NA,"PDBC53198","646088","Present",NA,NA
+"53199","Schembl20746235",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797958",NA,"CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)F","HKRJQAWVZVZAKO-IZZDOVSWSA-N",137501911,NA,"PDBC53199","797958","Present",NA,NA
+"53200","Schembl20746339",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797955",NA,"CC1=CC=C(C=C1)NC(=O)CC2=CC=C(C=C2)C=CC(=O)C3=NC=CN3","WXBFSVTYICHNKY-DHZHZOJOSA-N",137501989,NA,"PDBC53200","797955","Present",NA,NA
+"53201","Schembl20746446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794232",NA,"CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=CC=C3","WRJXVUYQZZABAO-VAWYXSNFSA-N",137502065,NA,"PDBC53201","794232","Present",NA,NA
+"53202","Schembl20746552",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794233",NA,"C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)F)C=CC(=O)C3=NC=CN3","IUQKDKFEPOCKFE-BJMVGYQFSA-N",137502157,NA,"PDBC53202","794233","Present",NA,NA
+"53203","Schembl20746570",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797961",NA,"CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)Cl","FTBXNSPOYQZRES-IZZDOVSWSA-N",137502170,NA,"PDBC53203","797961","Present",NA,NA
+"53204","Schembl20746574",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797954",NA,"C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)Cl)C=CC(=O)C3=NC=CN3","AZLFDESNKRNLNL-BJMVGYQFSA-N",137502174,NA,"PDBC53204","797954","Present",NA,NA
+"53205","Schembl20754505",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800930",NA,"CN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)C(F)(F)F","UWZDFNXYHHTVHT-IZZDOVSWSA-N",137509661,NA,"PDBC53205","800930","Present",NA,NA
+"53206","Schembl20754516",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797959",NA,"CCN1C=CN=C1C(=O)C=CC2=CC=C(C=C2)CC(=O)NC3=CC=C(C=C3)F","JDTOIYFZNWRLRJ-KPKJPENVSA-N",137509672,NA,"PDBC53206","797959","Present",NA,NA
+"53207","Schembl20754522",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC797957",NA,"C1=CC(=CC=C1CC(=O)NC2=CC=C(C=C2)C(F)(F)F)C=CC(=O)C3=NC=CN3","PEBBUGGLQZBBDH-BJMVGYQFSA-N",137509678,NA,"PDBC53207","797957","Present",NA,NA
+"53208","Schembl20944829",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-5,11-dioxo-6-(2-N-morpholine-1-ethyl)-11H-in...",NA,"C1COCCN1CCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53","CGSUBDZRYWWWBC-UHFFFAOYSA-N",11337348,NA,"PDBC53208","725668","Present",NA,NA
+"53209","Schembl20966467",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[3,5-dihydroxy-6-methyl-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy",NA,"CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)O)O)O","AGCWSENOCLVBIC-UHFFFAOYSA-N",374298,NA,"PDBC53209","651827","Present",NA,NA
+"53210","Schembl20966486",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(4-acetyloxy-3,5-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan",NA,"CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)OC(=O)C)O)O","YKXQZVAXUGIJHK-UHFFFAOYSA-N",376248,NA,"PDBC53210","656954","Present",NA,NA
+"53211","Schembl20969775",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766143",NA,"C1=CC(=CC(=C1)O)C2=C(N3C=CSC3=N2)C4=NC(=NC=C4)NCCNS(=O)(=O)C5=CC=C(C=C5)F","YDYJBUHNTGURQT-UHFFFAOYSA-N",138607174,NA,"PDBC53211","766143","Present",NA,NA
+"53212","Schembl20969797",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-methoxy-N-(2-((4-(6-phenylimidazo[2,1-b]thiazol-5-yl)p...",NA,"COC1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=CC=C5","DUAGJVFSWKNHNE-UHFFFAOYSA-N",138607196,NA,"PDBC53212","780027","Present",NA,NA
+"53213","Schembl20975496",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-Hydroxy-2-oxo-2H-chromen-3-yl)-7H-pyrano[3,2-c",NA,"C1=CC=C2C(=C1)C(=C(C(=O)O2)C3C4=C(C5=CC=CC=C5OC4=O)OC6=C3C(=O)OC7=CC=CC=C76)O","PMUHMVLTTXRCBH-UHFFFAOYSA-N",54694510,NA,"PDBC53213","686390","Present",NA,NA
+"53214","Schembl20998765",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761584",NA,"CC1(CN(S(=O)(=O)N1)CCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O)C","VYMHXRQVMRBRMZ-UHFFFAOYSA-N",138631879,NA,"PDBC53214","761584","Present",NA,NA
+"53215","Schembl20998777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755453",NA,"C1CN(S(=O)(=O)N1CCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O)CC6=CC=CC=C6","VXPIXJUZFBUGAQ-UHFFFAOYSA-N",138631891,NA,"PDBC53215","755453","Present",NA,NA
+"53216","Schembl20998914",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761586",NA,"C1CNS(=O)(=O)N(C1)CCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O","DOPSOTASKNWJRT-UHFFFAOYSA-N",138632019,NA,"PDBC53216","761586","Present",NA,NA
+"53217","Schembl20998920",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761592",NA,"CN1CCCN(S1(=O)=O)CCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O","JGTDYVHXKFGFRC-UHFFFAOYSA-N",138632025,NA,"PDBC53217","761592","Present",NA,NA
+"53218","Schembl21152501",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC777334",NA,"C1=CC=C(C=C1)S(=O)(=O)NCCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC=C(C=C5)F","GPNYBWLDCDZGOF-UHFFFAOYSA-N",139307690,NA,"PDBC53218","777334","Present",NA,NA
+"53219","Schembl21152541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC755437",NA,"CCN1CCN(S1(=O)=O)CCNC2=NC=CC(=N2)C3=C(N=C4N3C=CS4)C5=CC(=CC=C5)O","AKNZNEHBTGLTLZ-UHFFFAOYSA-N",139307726,NA,"PDBC53219","755437","Present",NA,NA
+"53220","Schembl21200856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XL-092",NA,"CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=O)C4(CC4)C(=O)NC5=CC=C(C=C5)F","JSPCKALGNNVYOO-UHFFFAOYSA-N",139350422,NA,"PDBC53220","828252","Present",NA,NA
+"53221","Schembl21296616",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC798979",NA,"CN1CCC2(CC1)N=C(C(=N2)SCC(=O)NC3=CC4=CC=CC=C4N=C3)C5=CC=C(C=C5)Br","YDLWAILCKMRHPV-UHFFFAOYSA-N",139434794,NA,"PDBC53221","798979","Present",NA,NA
+"53222","Schembl21333199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-N-(4-methoxyphenyl)-N,1-dimethyl-1H-pyrazolo[4,...",NA,"CN1C2=C(C=N1)N=C(N=C2N(C)C3=CC=C(C=C3)OC)Cl","OXJPJFSQXVFWIL-UHFFFAOYSA-N",139467480,NA,"PDBC53222","798522","Present",NA,NA
+"53223","Schembl21369146",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrrole-3-carbonitrile, 2-(1-isoquinolyl)-5-phenyl-",NA,"C1=CC=C(C=C1)C2=CC(=C(N2)C3=NC=CC4=CC=CC=C43)C#N","SDDXNUASCRUNBK-UHFFFAOYSA-N",272334,NA,"PDBC53223","116640","Present",NA,NA
+"53224","Schembl21451097",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAK-931",NA,"CC1=C(C=NN1)C2=CC3=C(S2)C(=O)NC(=N3)C4CC5CCN4CC5","XGVXKJKTISMIOW-UHFFFAOYSA-N",136603526,NA,"PDBC53224","801661","Present",NA,NA
+"53225","Schembl21460542",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-chloro-{N}4-(2-furylmethyl)-{N}2-[4-(2-pyrrolidin-1-yl...",NA,"C1CCN(C1)CCOC2=CC=C(C=C2)NC3=NC=C(C(=N3)NCC4=CC=CO4)Cl","NJXWXDBUCFKSCS-UHFFFAOYSA-N",139580711,NA,"PDBC53225","802387","Present",NA,NA
+"53226","Schembl21497051",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"t-dcyd",NA,"C1C(C(SC1N2C=CC(=NC2=O)N)CO)O","MOMUJZRKXYLWMH-ATRFCDNQSA-N",146198784,NA,"PDBC53226","764276","Present",NA,NA
+"53227","Schembl21499084",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC771686",NA,"COC1=CC=CC(=C1)C2=CC3=C(C=C2)C4CC3CCN4CC5=CC=CC=C5","DLPCNLBLTYEROQ-UHFFFAOYSA-N",123216592,NA,"PDBC53227","771686","Present",NA,NA
+"53228","Schembl21504532",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl 4-[2-(hydroxyamino)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2NO)C(=O)OC","UFZLCPVLRYCSJY-UHFFFAOYSA-N",382108,NA,"PDBC53228","669501","Present",NA,NA
+"53229","Schembl21563856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC652937",NA,"C1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)OCC4=CC=CC=C4[N+](=O)[O-]","FBEHPMNCKUQUFR-UHFFFAOYSA-N",374745,NA,"PDBC53229","652937","Present",NA,NA
+"53230","Schembl21681302",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"K291",NA,"CCOC1=CC2=C(C=C1)N=C(N=C2NC3=CC=C(C=C3)C4=CNN=C4)C5=CC(=CC=C5)OCC(=O)NC(C)C","XKOYTLRGOQTKAU-UHFFFAOYSA-N",146345838,NA,"PDBC53230","783733","Present",NA,NA
+"53231","Schembl21803651",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-9-methoxy-6-(3-(piperazin-1-yl)propyl)-5H-pyrid...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCNCC5)N=C1","IDNPTPWRYDBQMT-UHFFFAOYSA-N",137635992,NA,"PDBC53231","790511","Present",NA,NA
+"53232","Schembl21803652",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-9-methoxy-6-(3-(methylamino)propyl)-5H-pyrido[3...",NA,"CNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)F)C(=O)C4=C2N=CC(=C4)OC","BNRFZTXOBLEOGA-UHFFFAOYSA-N",137639878,NA,"PDBC53232","790512","Present",NA,NA
+"53233","Schembl21803653",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-6-(3-(ethylamino)propyl)-9-methoxy-5H-pyrido[3'...",NA,"CCNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)Cl)C(=O)C4=C2N=CC(=C4)OC","QJEVDGDCTHQUOS-UHFFFAOYSA-N",137651075,NA,"PDBC53233","789554","Present",NA,NA
+"53234","Schembl21803655",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(1H-imidazol-1-yl)propyl)-3-chloro-9-methoxy-5H-pyr...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5C=CN=C5)N=C1","RHUBXYGWGVODBD-UHFFFAOYSA-N",137656446,NA,"PDBC53234","787303","Present",NA,NA
+"53235","Schembl21803658",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-9-methoxy-6-(3-(piperazin-1-yl)propyl)-5H-pyrid...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCNCC5)N=C1","AXKNBHWUHFNTIR-UHFFFAOYSA-N",137644721,NA,"PDBC53235","789549","Present",NA,NA
+"53236","Schembl21803662",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-9-methoxy-6-(3-morpholinopropyl)-5H-pyrido[3',2...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCOCC5)N=C1","LEUOQDXUTZNMKV-UHFFFAOYSA-N",137661166,NA,"PDBC53236","787302","Present",NA,NA
+"53237","Schembl21803664",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(ethylamino)propyl)-3-fluoro-9-methoxy-5H-pyrido[3'...",NA,"CCNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)F)C(=O)C4=C2N=CC(=C4)OC","VRXVSWVQXIEINY-UHFFFAOYSA-N",137652086,NA,"PDBC53237","790514","Present",NA,NA
+"53238","Schembl21803665",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-6-(3-(4-hydroxypiperidin-1-yl)propyl)-9-methoxy...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCC(CC5)O)N=C1","AHRFPSKABRPTCE-UHFFFAOYSA-N",137660083,NA,"PDBC53238","790516","Present",NA,NA
+"53239","Schembl21803667",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784577",NA,"CCNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C2N=CC(=C4)OC","AZIHKCQBIHZGQA-UHFFFAOYSA-N",137658578,NA,"PDBC53239","784577","Present",NA,NA
+"53240","Schembl21803669",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-9-methoxy-6-(3-(methylamino)propyl)-5H-pyrido[3...",NA,"CNCCCN1C2=C(C3=C(C1=O)C=C(C=C3)Cl)C(=O)C4=C2N=CC(=C4)OC","YPQBFNDIPKXILP-UHFFFAOYSA-N",137650951,NA,"PDBC53240","789553","Present",NA,NA
+"53241","Schembl21803672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784576",NA,"CC(C)NCCCN1C2=C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=C2N=CC(=C4)OC","XOJIAQZVODHKEX-UHFFFAOYSA-N",137659333,NA,"PDBC53241","784576","Present",NA,NA
+"53242","Schembl21803673",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-6-(3-(isopropylamino)propyl)-9-methoxy-5H-pyrid...",NA,"CC(C)NCCCN1C2=C(C3=C(C1=O)C=C(C=C3)Cl)C(=O)C4=C2N=CC(=C4)OC","GBNSKQWRSBCCAG-UHFFFAOYSA-N",137637372,NA,"PDBC53242","789552","Present",NA,NA
+"53243","Schembl21803674",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-6-(3-(4-hydroxypiperidin-1-yl)propyl)-9-methoxy...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCC(CC5)O)N=C1","ZDQJNEIRRIUOGN-UHFFFAOYSA-N",137645346,NA,"PDBC53243","787305","Present",NA,NA
+"53244","Schembl21803676",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-9-methoxy-6-(3-(4-methylpiperazin-1-yl)propyl)-...",NA,"CN1CCN(CC1)CCCN2C3=C(C4=C(C2=O)C=C(C=C4)Cl)C(=O)C5=C3N=CC(=C5)OC","CMFCARMWWKUJKJ-UHFFFAOYSA-N",146445413,NA,"PDBC53244","789551","Present",NA,NA
+"53245","Schembl21803677",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-((4,5-dihydrothiazol-2-yl)amino)propyl)-3-fluoro-9-...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCNC5=NCCS5)N=C1","YRTKFQZVICPSAQ-UHFFFAOYSA-N",137635101,NA,"PDBC53245","790513","Present",NA,NA
+"53246","Schembl21803678",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-9-methoxy-6-(3-(pyrrolidin-1-yl)propyl)-5H-pyri...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCN5CCCC5)N=C1","YLUNZONQAXVOSD-UHFFFAOYSA-N",137638583,NA,"PDBC53246","789550","Present",NA,NA
+"53247","Schembl21803680",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784575",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCNCCN5CCOCC5)N=C1","VPADSKSPZOJDAY-UHFFFAOYSA-N",137645708,NA,"PDBC53247","784575","Present",NA,NA
+"53248","Schembl21803682",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)-9-methoxy...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCN(CC5)CCO)N=C1","AFJJPPSGYUGMFF-UHFFFAOYSA-N",137643195,NA,"PDBC53248","787306","Present",NA,NA
+"53249","Schembl21803683",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-6-(3-(isopropylamino)propyl)-9-methoxy-5H-pyrid...",NA,"CC(C)NCCCN1C2=C(C3=C(C1=O)C=C(C=C3)F)C(=O)C4=C2N=CC(=C4)OC","VGOQHXKBHKPKGX-UHFFFAOYSA-N",137646143,NA,"PDBC53249","790517","Present",NA,NA
+"53250","Schembl21803685",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784574",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCNC5=NCCS5)N=C1","IZPXKLAPKCQKQC-UHFFFAOYSA-N",129896914,NA,"PDBC53250","784574","Present",NA,NA
+"53251","Schembl21803687",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-fluoro-9-methoxy-6-(3-(pyrrolidin-1-yl)propyl)-5H-pyri...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5CCCC5)N=C1","JSNXSAANPIBWQQ-UHFFFAOYSA-N",137653301,NA,"PDBC53251","790515","Present",NA,NA
+"53252","Schembl21803688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-chloro-6-(3-((4,5-dihydrothiazol-2-yl)amino)propyl)-9-...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)Cl)C(=O)N3CCCNC5=NCCS5)N=C1","MRUNMUKFVBNTSI-UHFFFAOYSA-N",137639745,NA,"PDBC53252","787304","Present",NA,NA
+"53253","Schembl21803691",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Aza-5,6-dihydro-6-[3-(4-pyrrolidine-1-yl)propyl]-9-met...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCCC5)N=C1","IDPVANAVAHLPSG-UHFFFAOYSA-N",137645479,NA,"PDBC53253","783074","Present",NA,NA
+"53254","Schembl21803696",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3-(1H-imidazol-1-yl)propyl)-3-fluoro-9-methoxy-5H-pyr...",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)F)C(=O)N3CCCN5C=CN=C5)N=C1","HYHOVKFBRXRMNX-UHFFFAOYSA-N",137652438,NA,"PDBC53254","790510","Present",NA,NA
+"53255","Schembl21803698",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783072",NA,"COC1=CC2=C(C3=C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCN5CCNCC5)N=C1","AJWWCEIFWTXJEW-UHFFFAOYSA-N",137646560,NA,"PDBC53255","783072","Present",NA,NA
+"53256","Schembl21811226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800049",NA,"C#CCOC1=CC=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC(=O)CCl","GUSWAPQBWHGWLI-UHFFFAOYSA-N",146451123,NA,"PDBC53256","800049","Present",NA,NA
+"53257","Schembl21840124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,8-Iminocyclohepta[c]pyrrole-1,3,5(2H)-trione, 3a,4,8,8...",NA,"C1=CC=C(C=C1)CN2C3C=CC(=O)C2C4C3C(=O)N(C4=O)C5=CC=CC=C5","WKEXHQLBCFZJRL-UHFFFAOYSA-N",336482,NA,"PDBC53257","351105","Present",NA,NA
+"53258","Schembl21887627",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766701",NA,"C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)CC4=CC5=C(C=C4)N=C(N5)C6=CC=C(C=C6)N)N","SCUWNIHBUXBXKG-UHFFFAOYSA-N",1160282,NA,"PDBC53258","766701","Present",NA,NA
+"53259","Schembl21926591",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766721",NA,"COC1=CC(=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)C(F)(F)F)O","FNGPGEHLNKUIHA-UHFFFAOYSA-N",44522111,NA,"PDBC53259","766721","Present",NA,NA
+"53260","Schembl22010135",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"10,11-Methylenedioxy-20(S)-glycinyl camptothecin hydroch...",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=C6C(=CC5=C4)OCO6)OC(=O)CN","ZCVLTIWFTLQSTM-QHCPKHFHSA-N",486155,NA,"PDBC53260","671900","Present",NA,NA
+"53261","Schembl22039120",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dimethyltricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,12,14-hexaene-4,5,14,15-tetrol",NA,"CC1CC2=CC(=C(C=C2C3=CC(=C(C=C3CC1C)O)O)O)O","QAIDKUGAYKKTCT-UHFFFAOYSA-N",382047,NA,"PDBC53261","669349","Present",NA,NA
+"53262","Schembl22062005",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SRQNSZYLZQIYMJ-UHFFFAOYSA-N",NA,"CCOC(=O)C1=CC(=CC=C1)NN=NC2=CC=CC(=C2)C(=O)OCC","SRQNSZYLZQIYMJ-UHFFFAOYSA-N",402560,NA,"PDBC53262","716678","Present",NA,NA
+"53263","Schembl22070355",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC794583",NA,"CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)COC(=O)C)OC(=O)N(C)CCN(C)C(=O)OC(C)(C)C","BCLBCSPLCZLQCT-NYMACZPPSA-N",146658285,NA,"PDBC53263","794583","Present",NA,NA
+"53264","Schembl22085242",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(4-((1R,5S)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyr...",NA,"C1CC2CN(CC1O2)C3=NC(=NN4C3=CC=C4)C5=CC=C(C=C5)NC(=S)NCCO","GHUROFYDQUZIJT-CALCHBBNSA-N",145420445,NA,"PDBC53264","787490","Present",NA,NA
+"53265","Schembl22085251",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-hydroxyethyl)-3-(4-(4-morpholinopyrrolo[2,1-f][1,2,...",NA,"C1COCCN1C2=NC(=NN3C2=CC=C3)C4=CC=C(C=C4)NC(=O)NCCO","QRZUINJXMUITFM-UHFFFAOYSA-N",145420425,NA,"PDBC53265","787491","Present",NA,NA
+"53266","Schembl22085810",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(4-morpholinopyrrolo[2,1-f][1,2,4]triazin-2-yl)phen...",NA,"C1COCCN1C2=NC(=NN3C2=CC=C3)C4=CC=C(C=C4)NC(=O)NC5=CN=CC=C5","WPMKFGCCABCSIX-UHFFFAOYSA-N",145420560,NA,"PDBC53266","780881","Present",NA,NA
+"53267","Schembl22085812",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(4-(dimethylamino)piperidine-1-carbonyl)phenyl)-3-(...",NA,"CN(C)C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NN5C=CC=C5C(=N4)N6CCOCC6","FWLCNEPGPUTNAP-UHFFFAOYSA-N",145420388,NA,"PDBC53267","780882","Present",NA,NA
+"53268","Schembl22087313",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(4-(4-methylpiperazine-1-carbonyl)phenyl)-3-(4-(4-morp...",NA,"CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=NN5C=CC=C5C(=N4)N6CCOCC6","DVTRTLVTBRMZOD-UHFFFAOYSA-N",145420532,NA,"PDBC53268","780883","Present",NA,NA
+"53269","Schembl22144814",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Phenyl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one",NA,"C1=CC=C(C=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=CC=CC=C63","KANYAAXIIQKOJM-UHFFFAOYSA-N",388735,NA,"PDBC53269","683789","Present",NA,NA
+"53270","Schembl22144815",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Thiophen-2-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one",NA,"C1=CC=C2C(=C1)C3=C4C(=CC(=N3)C5=CC=CS5)C6=CC=CC=C6N=C4C2=O","NWHPIKBOVBKXAE-UHFFFAOYSA-N",391207,NA,"PDBC53270","690040","Present",NA,NA
+"53271","Schembl22144816",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Pyridin-3-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one",NA,"C1=CC=C2C(=C1)C3=C4C(=CC(=N3)C5=CN=CC=C5)C6=CC=CC=C6N=C4C2=O","DKOYOHXCFYFCDU-UHFFFAOYSA-N",391205,NA,"PDBC53271","690038","Present",NA,NA
+"53272","Schembl22144817",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Pyridin-4-yl-2,12-diazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14,16,18-decaen-20-one",NA,"C1=CC=C2C(=C1)C3=C4C(=CC(=N3)C5=CC=NC=C5)C6=CC=CC=C6N=C4C2=O","LZKCPNRQYLJNBC-UHFFFAOYSA-N",391206,NA,"PDBC53272","690039","Present",NA,NA
+"53273","Schembl22144873",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(2-pyridi...",NA,"C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=CC=N6","ABYZQLNEHFFRNI-UHFFFAOYSA-N",4595742,NA,"PDBC53273","686554","Present",NA,NA
+"53274","Schembl22144874",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-phenyl-",NA,"C1=CC=C(C=C1)C2=NC3=C4C(=C2)C5=CC=CC=C5N=C4C(=O)C6=C3N=CC=C6","SCELGDCLQFOOPV-UHFFFAOYSA-N",4567749,NA,"PDBC53274","686553","Present",NA,NA
+"53275","Schembl22144875",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Quino[4,3,2-de][1,10]phenanthrolin-9-one, 2-(3-pyridi...",NA,"C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CN=CC=C6","VYDZVARVVUHCDM-UHFFFAOYSA-N",4532977,NA,"PDBC53275","694493","Present",NA,NA
+"53276","Schembl22144876",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11-Pyridin-4-yl-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1,3,5,7,9,11,13(21),14(19),15,17-decaen-20-one",NA,"C1=CC=C2C(=C1)C3=CC(=NC4=C3C(=N2)C(=O)C5=C4N=CC=C5)C6=CC=NC=C6","KBNNCUHAQAZPLK-UHFFFAOYSA-N",4261195,NA,"PDBC53276","694494","Present",NA,NA
+"53277","Schembl22170078",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783616",NA,"CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5","JBCUCBXPORXMQL-UHFFFAOYSA-N",153356041,NA,"PDBC53277","783616","Present",NA,NA
+"53278","Schembl22189929",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FT-6876",NA,"CC1CCC2=C(N1C(=O)OC)C=CC3=C2N=C(N3C4CCCC(C4)C(=O)O)CC5=CC=CC=C5","ABNLUJMIBRFYRV-IHPCNDPISA-N",142545683,NA,"PDBC53278","828853","Present",NA,NA
+"53279","Schembl22201737",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697491",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC","WDRFARWJPZXCTE-PMACEKPBSA-N",394209,NA,"PDBC53279","697491","Present",NA,NA
+"53280","Schembl22300877",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-Nitroso-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-2-ol",NA,"C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=CC=N4)O)N=O","WJEDGNYIXKFWLW-UHFFFAOYSA-N",135911866,NA,"PDBC53280","745929","Present",NA,NA
+"53281","Schembl22374898",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC767829",NA,"CC(C)C(C(=O)NC(CC1=CN(C=N1)C)C(=O)OC)NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","XTYDRDGSHBFNRY-IRXDYDNUSA-N",101803826,NA,"PDBC53281","767829","Present",NA,NA
+"53282","Schembl22466793",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803571",NA,"C1CCC2=C(C1)C3=C4C=NNC4=CC(=C3N=C2C5=C(NN=C5)C(F)(F)F)F","QZEZKSMIUTYGRU-UHFFFAOYSA-N",153521586,NA,"PDBC53282","803571","Present",NA,NA
+"53283","Schembl22466882",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(1H-indazol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,3...",NA,"C1CCC2=C(C1)C3=C(C=CC4=C3C=NN4)N=C2C5=CC6=C(C=C5)NN=C6","BIJWVFOPLJTMGG-UHFFFAOYSA-N",142445182,NA,"PDBC53283","801416","Present",NA,NA
+"53284","Schembl22478226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC803569",NA,"CN1C=C(C(=N1)C(F)(F)F)C2=NC3=C(C=C4C(=C3C5=C2CCCC5)C=NN4)F","BGUDCURQYMDTDW-UHFFFAOYSA-N",155151874,NA,"PDBC53284","803569","Present",NA,NA
+"53285","Schembl22500842",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4E)-4-(Thiophen-2-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one",NA,"COC1=CC(=CC(=C1OC)OC)C2=NC(=CC3=CC=CS3)C(=O)O2","FVHYQRZMYNDQBO-FMIVXFBMSA-N",1549377,NA,"PDBC53285","318215","Present",NA,NA
+"53286","Schembl22542446",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-AMINO-N-PHENYL-5,6,7,8-TETRAHYDROTHIENO(2,3-B)QUINOLIN...",NA,"C1CCC2=NC3=C(C=C2C1)C(=C(S3)C(=O)NC4=CC=CC=C4)N","JRZBGFHJUKMXIK-UHFFFAOYSA-N",4575187,NA,"PDBC53286","771559","Present",NA,NA
+"53287","Schembl22542570",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC790980",NA,"CC(C)C(CC(C1=NC(=CS1)C(=O)NC23CC(C2)(C3)C(=O)OC)OC(=O)C)N(C)C(=O)C(C(C)C)NC(=O)C4CCCCN4C","FMJOWOJKQACYPR-RUJGCPEASA-N",142741067,NA,"PDBC53287","790980","Present",NA,NA
+"53288","Schembl22571072",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N'-[9-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide",NA,"CN(C)C=NC1=NC2=C(C(=O)N1)N=CN2C3C(C(C(O3)CO)O)O","WDAVDBAMSKZBEN-SYZQJQIISA-N",135455588,NA,"PDBC53288","618269","Present",NA,NA
+"53289","Schembl22589699",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rhodomycin A",NA,"CCC1(CC(C2=C(C1OC3CC(C(C(O3)C)O)N(C)C)C(=C4C(=C2O)C(=O)C5=C(C4=O)C=CC=C5O)O)OC6CC(C(C(O6)C)O)N(C)C)O","NWPIUETWDSWOKV-QROLFQDOSA-N",5351236,NA,"PDBC53289","136044","Present",NA,NA
+"53290","Schembl22663672",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2Z,2'Z)-4,4'-[sulfonylbis(benzene-4,1-diylimino)]bis(4-...",NA,"C1=CC(=CC=C1NC(=O)C=CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C=CC(=O)O","NDVQFCYOAORVKK-HWAYABPNSA-N",54604947,NA,"PDBC53290","25603","Present",NA,NA
+"53291","Schembl22664609",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784348",NA,"C1C(C(SS1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O","UORAPQCBWYIISR-SJORKVTESA-N",152040863,NA,"PDBC53291","784348","Present",NA,NA
+"53292","Schembl22664612",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784351",NA,"C1C(C(SS1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O","UORAPQCBWYIISR-IAGOWNOFSA-N",152040861,NA,"PDBC53292","784351","Present",NA,NA
+"53293","Schembl22664614",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC781085",NA,"C1C(C(SS1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O","UORAPQCBWYIISR-UHFFFAOYSA-N",152040864,NA,"PDBC53293","781085","Present",NA,NA
+"53294","Schembl22664628",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784349",NA,"C1C(C(SS1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O","UORAPQCBWYIISR-DLBZAZTESA-N",152040860,NA,"PDBC53294","784349","Present",NA,NA
+"53295","Schembl22664640",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784350",NA,"C1C(C(SS1)CN2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N)O","UORAPQCBWYIISR-IRXDYDNUSA-N",152040862,NA,"PDBC53295","784350","Present",NA,NA
+"53296","Schembl22729174",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800344",NA,"C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=CC=C5)C(F)(F)F)C(=O)OC4)CCO","NYEZJKVBGQHMLE-UHFFFAOYSA-N",148716423,NA,"PDBC53296","800344","Present",NA,NA
+"53297","Schembl22729175",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800346",NA,"C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC(=CC=C5)F","WLSFCCHZKQAWNE-UHFFFAOYSA-N",155351581,NA,"PDBC53297","800346","Present",NA,NA
+"53298","Schembl22729176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800345",NA,"C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC(=CC=C5)F)C(=O)OC4)CCO","HLNATXFTCLBLRU-UHFFFAOYSA-N",155351582,NA,"PDBC53298","800345","Present",NA,NA
+"53299","Schembl22729177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800341",NA,"C1CC2=CC3=C(C=C2C1)N(C4=C(C3C5=CC=CC(=C5)C#N)C(=O)OC4)CCO","JEUMOXLCMVZJPH-UHFFFAOYSA-N",153343597,NA,"PDBC53299","800341","Present",NA,NA
+"53300","Schembl22729178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800343",NA,"C1COC2=C(O1)C=C3C(C4=C(COC4=O)N(C3=C2)CCO)C5=CC(=CC=C5)C(F)(F)F","XDICVMRXOSSBRR-UHFFFAOYSA-N",149193663,NA,"PDBC53300","800343","Present",NA,NA
+"53301","Schembl22729179",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800348",NA,"C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC(=CC=C5)C(F)(F)F)C(=O)O1","VNNGZBAINWDNGU-UHFFFAOYSA-N",155351583,NA,"PDBC53301","800348","Present",NA,NA
+"53302","Schembl22729180",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800342",NA,"C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC=CC(=C5)C#N)C(=O)O1","XTPOOLBYPFWZST-UHFFFAOYSA-N",149284549,NA,"PDBC53302","800342","Present",NA,NA
+"53303","Schembl22729183",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800350",NA,"C1C2=C(C(C3=CC4=C(C=C3N2CCO)OCO4)C5=CC(=CC=C5)F)C(=O)O1","WVJVLSHRAJOEEW-UHFFFAOYSA-N",155351586,NA,"PDBC53303","800350","Present",NA,NA
+"53304","Schembl22729189",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800347",NA,"COC1=CC2=C(C=C1)C(C3=C(N2CCO)COC3=O)C4=CC(=CC=C4)F","ZVAWJXJYWOFLDZ-UHFFFAOYSA-N",155351591,NA,"PDBC53304","800347","Present",NA,NA
+"53305","Schembl22772358",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(3-(4-methyl-1H-i...",NA,"CC1=CN(C=N1)C2=CC(=CC(=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","ULSOOODMFMCIIK-UHFFFAOYSA-N",155386677,NA,"PDBC53305","800578","Present",NA,NA
+"53306","Schembl22772359",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((3-amino-1H-indazol-4-yl)ethynyl)phenyl)-3-(triflu...",NA,"C1=CC(=CC(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)C#CC3=C4C(=CC=C3)NN=C4N","BSVDGQDTPDLQCS-UHFFFAOYSA-N",155386678,NA,"PDBC53306","794677","Present",NA,NA
+"53307","Schembl22772360",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(4-((4-ethylpiper...",NA,"CCN1CCN(CC1)CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","XAXJKDYUXBSJJT-UHFFFAOYSA-N",155386679,NA,"PDBC53307","794678","Present",NA,NA
+"53308","Schembl22772365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(3-((4-methylpipe...",NA,"CN1CCN(CC1)CC2=CC(=CC(=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","QEWJRTUCCOIWLO-UHFFFAOYSA-N",155386684,NA,"PDBC53308","800580","Present",NA,NA
+"53309","Schembl22772382",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(4-(morpholinomet...",NA,"C1COCCN1CC2=C(C=C(C=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","GJNWPXMEFQRJIZ-UHFFFAOYSA-N",155386698,NA,"PDBC53309","796302","Present",NA,NA
+"53310","Schembl22788745",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(3-((3-amino-1H-indazol-4-yl)ethynyl)phenyl)-4-morphol...",NA,"C1COCCN1C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","JKZZCHSVFXZBAI-UHFFFAOYSA-N",155400340,NA,"PDBC53310","800577","Present",NA,NA
+"53311","Schembl22788769",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-((3-amino-1H-indazol-4-yl)ethynyl)-N-(3-(morpholinomet...",NA,"C1COCCN1CC2=CC(=CC(=C2)NC(=O)C3=CC=CC(=C3)C#CC4=C5C(=CC=C4)NN=C5N)C(F)(F)F","GYTPDENASJFHSZ-UHFFFAOYSA-N",155400359,NA,"PDBC53311","797904","Present",NA,NA
+"53312","Schembl22828089",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Methylsulfonylphenyl)-N-(thiophen-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine",NA,"CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=CC(=N2)NCC3=CC=CS3)C(F)(F)F","NHWBUIULKLBZEC-UHFFFAOYSA-N",24205505,NA,"PDBC53312","736060","Present",NA,NA
+"53313","Schisanterin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"schisanterin a",NA,"CC1CC2=CC3=C(C(=C2C4=C(C(=C(C=C4C(C1(C)O)OC(=O)C5=CC=CC=C5)OC)OC)OC)OC)OCO3","UFCGDBKFOKKVAC-UHFFFAOYSA-N",332607,NA,"PDBC53313","330516","Present",NA,NA
+"53314","Schultesine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Schultesine",NA,"CC1C(C2=C(C3C1C4=C(C(O3)O)C(=O)NCC4)C(=O)NCC2)C=C","YYTINVRXAWFMDO-UHFFFAOYSA-N",362129,NA,"PDBC53314","625683","Present",NA,NA
+"53315","Scilliglaucosidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCILLIGLAUCOSIDIN",NA,"CC12CCC3C(C1(CCC2C4=COC(=O)C=C4)O)CCC5=CC(CCC35C=O)O","XMFOZWPYGNDNKK-UHFFFAOYSA-N",281990,NA,"PDBC53315","135036","Present",NA,NA
+"53316","Scilliroside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"scilliroside",NA,"CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(CC5)OC6C(C(C(C(O6)CO)O)O)O)C)O","LSMIOFMZNVEEBR-UHFFFAOYSA-N",62354,NA,"PDBC53316","7523","Present",NA,NA
+"53317","Scillirosidin, glycoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SCILLIROSIDIN, GLYCOSIDE",NA,"CC(=O)OC1CC2(C(CCC3(C2(CCC3C4=COC(=O)C=C4)O)C)C5(C1=CC(CC5)O)C)O","SOJXCEWHLPYBAF-UHFFFAOYSA-N",222160,NA,"PDBC53317","7534","Present",NA,NA
+"53318","Scirpene-3,4,15-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANGUIDINE DERIV SCIRPENTRIOL",NA,"CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)O)C)CO","PXEBOIUZEXXBGH-GTJZFRISSA-N",320696,NA,"PDBC53318","269142","Present",NA,NA
+"53319","Scirpusin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Scirpusin A",NA,"C1=CC(=CC=C1C=CC2=C3C(C(OC3=CC(=C2)O)C4=CC(=C(C=C4)O)O)C5=CC(=CC(=C5)O)O)O","VJVQHVVOEFJLIO-DAFODLJHSA-N",5458896,NA,"PDBC53319","374718","Present",NA,NA
+"53320","Scopolamine, hydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Aminoxyscopolamine hydrobromide",NA,"C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)[O-].Br","MGNNYKWRWHQLCR-XWDDIHSFSA-N",5351564,NA,"PDBC53320","61807","Present",NA,NA
+"53321","Scutellaprostin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Scutellaprostin A",NA,"COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C4=C3OC(=CC4=O)C5=CC=CC=C5)O)CO)O","FECLWLKPCOCFKF-FYYLOGMGSA-N",372735,NA,"PDBC53321","648333","Present",NA,NA
+"53322","Scutellaprostin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Scutellaprostin B",NA,"COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O","OJUFMXZXXZASBJ-FYYLOGMGSA-N",372739,NA,"PDBC53322","648337","Present",NA,NA
+"53323","Scutellaprostin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Scutellaprostin D",NA,"COC1C(OC2=C(O1)C(=C3C(=C2)OC(=CC3=O)C4=CC=CC=C4)O)C5=CC(=C(C=C5)O)OC","WKUUJSDDFDURKI-UKILVPOCSA-N",372738,NA,"PDBC53323","648336","Present",NA,NA
+"53324","Scutellaprostin G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Scutellaprostin G",NA,"COC1=C(C=CC(=C1)C2C(OC3=C(O2)C4=C(C=C3O)OC(=CC4=O)C5=CC=CC=C5)CO)O","ULRIJTFKMHYWQE-FYYLOGMGSA-N",5467201,NA,"PDBC53324","648335","Present",NA,NA
+"53325","Sebacic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sebacic acid",NA,"C(CCCCC(=O)O)CCCC(=O)O","CXMXRPHRNRROMY-UHFFFAOYSA-N",5192,NA,"PDBC53325","19492","Present",NA,NA
+"53326","Secalonen B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Secalonen B",NA,"CC1CC=C2C(=O)C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC=C6C5=O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC","BACCTQITAPHRNM-UHFFFAOYSA-N",430140,NA,"PDBC53326","268924","Present",NA,NA
+"53327","Secalonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"secalonic acid d",NA,"CC1CC(=O)C2=C(C3=C(C=CC(=C3O)C4=C(C5=C(C=C4)OC6(C(C(CC(=O)C6=C5O)C)O)C(=O)OC)O)OC2(C1O)C(=O)OC)O","NFZJAYYORNVZNI-UHFFFAOYSA-N",423972,NA,"PDBC53327","159631","Present",NA,NA
+"53328","Secogorgosterol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Secogorgosterol",NA,"CC(C)C(C)C1(CC1C(C)C2CCC(C2(C)CCO)C3CC=C4CC(CCC4(C3=O)C)O)C","HEVOJXUNAUSRIF-BMYIKSCUSA-N",386853,NA,"PDBC53328","679587","Present",NA,NA
+"53329","Secologanin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Secologanin",NA,"COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O","CSKKDSFETGLMSB-UHFFFAOYSA-N",369002,NA,"PDBC53329","640525","Present",NA,NA
+"53330","Sedalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acepromazine maleate",NA,"CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C.C(=CC(=O)O)C(=O)O","FQRHOOHLUYHMGG-WLHGVMLRSA-N",5476753,NA,"PDBC53330","264522","Present",NA,NA
+"53331","Sedoxantrone Trihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sedoxantrone Trihydrochloride",NA,"CCN(CC)CCN1C2=C3C(=C4C=CC(=O)C=C4SC3=C(C=C2)NCCN)N1.Cl","QYWZLNAKLNKCMZ-UHFFFAOYSA-N",366672,NA,"PDBC53331","635371","Present",NA,NA
+"53332","Selenanthrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Seleniumanthrene",NA,"C1=CC=C2C(=C1)[Se]C3=CC=CC=C3[Se]2","IESITBBFRHFJKD-UHFFFAOYSA-N",136078,NA,"PDBC53332","632578","Present",NA,NA
+"53333","Selenanthrene, 2,3,7,8-tetramethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,6,7-Tetramethoxyseleniumanthrene",NA,"COC1=CC2=C(C=C1OC)[Se]C3=C([Se]2)C=C(C(=C3)OC)OC","RYTMZQYCULTDRR-UHFFFAOYSA-N",365238,NA,"PDBC53333","632601","Present",NA,NA
+"53334","Selendale",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"selendale",NA,"O[Se](=O)O.[Na+]","OHYAUPVXSYITQV-UHFFFAOYSA-N",54601159,NA,"PDBC53334","347466","Present",NA,NA
+"53335","Seligocidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"seligocidin",NA,"CO[N+](=CC(=O)NC=CC(=O)O)[O-]","UBAVPHLFRVPRCI-HOJFPOIOSA-N",5459323,NA,"PDBC53335","88465","Present",NA,NA
+"53336","Selitrectinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LOXO-195",NA,"CC1CCC2=C(C=C(C=N2)F)C3CCCN3C4=NC5=C(C=NN5C=C4)C(=O)N1","OEBIHOVSAMBXIB-SJKOYZFVSA-N",129103609,NA,"PDBC53336","809970","Present",NA,NA
+"53337","Sellowin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sellowin A",NA,"CC(CO)C1C23C(O2)C4C5C(C3=CC(=O)O1)(CC6C(C5(C(=O)O4)C)O6)C","HFEAHCITXGPGJQ-BDCUKGRPSA-N",73589,NA,"PDBC53337","329488","Present",NA,NA
+"53338","Selonsertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Selonsertib",NA,"CC1=CC(=C(C=C1N2C=C(N=C2)C3CC3)C(=O)NC4=CC=CC(=N4)C5=NN=CN5C(C)C)F","YIDDLAAKOYYGJG-UHFFFAOYSA-N",71245288,NA,"PDBC53338","797772","Present",NA,NA
+"53339","Selpercatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LOXO-292",NA,"CC(C)(COC1=CN2C(=C(C=N2)C#N)C(=C1)C3=CN=C(C=C3)N4CC5CC(C4)N5CC6=CN=C(C=C6)OC)O","XIIOFHFUYBLOLW-UHFFFAOYSA-N",134436906,NA,"PDBC53339","818434","Present",NA,NA
+"53340","Semicarbazide, 1-formyl-4-(1-naphthyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-144884",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)NNC=O","AILGPMRVRXMDPB-UHFFFAOYSA-N",379571,NA,"PDBC53340","664258","Present",NA,NA
+"53341","Sempervirine nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sempervirine, nitrate",NA,"C1CCC2=CN3C=CC4=C5C=CC=CC5=NC4=C3C=C2C1.[N+](=O)(O)[O-]","IECUCQNAZVURGY-UHFFFAOYSA-N",5351497,NA,"PDBC53341","21728","Present",NA,NA
+"53342","Sendanin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sendanin",NA,"CC(=O)OC1CC(C23COC(C1(C2CC(C4(C3C(=O)C(C5(C46C(O6)CC5C7=COC=C7)C)O)C)O)C)O)O.[Ac].[Ac]","VSHLLLCWLQXWSP-UHFFFAOYSA-N",326834,NA,"PDBC53342","299117","Present",NA,NA
+"53343","Senecionine N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"senecionine n-oxide",NA,"CC=C1CC(C(C(=O)OCC2=CC[N+]3(C2C(CC3)OC1=O)[O-])(C)O)C","PLGBHVNNYDZWGZ-GPUZEBNTSA-N",5380876,NA,"PDBC53343","106677","Present",NA,NA
+"53344","Senecioylchrysarobin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Senecioylchrysarobin",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C(=O)C=C(C)C)C=CC=C3O","QNTBTRFZTVWCDZ-UHFFFAOYSA-N",124458,NA,"PDBC53344","641169","Present",NA,NA
+"53345","Sennosides",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sennoside a (8ci)///Sennoside B",NA,"C1=CC2=C(C(=C1)OC3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)OC7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)O)C=C(C=C4O)C(=O)O","IPQVTOJGNYVQEO-UHFFFAOYSA-N",5199,NA,"PDBC53345","112929///112930","Present",NA,NA
+"53346","Septacidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"septacidin",NA,"CC(C)CCCCCCCCCCCCC(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O","YBZRLMLGUBIIDN-UHFFFAOYSA-N",494023,NA,"PDBC53346","65104","Present",NA,NA
+"53347","Sequiterpene lactone 326",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SEQUITERPENE LACTONE 326",NA,"CC1CC2C(CC3(C1(CCC3=O)O)C)C(=C)C(=O)O2","JPWMRQZYTCWJHW-UHFFFAOYSA-N",338659,NA,"PDBC53347","361902","Present",NA,NA
+"53348","Serabelisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"serabelisib",NA,"C1COCCN1C(=O)C2=CN=C3N2C=C(C=C3)C4=CC5=C(C=C4)OC(=N5)N","BLGWHBSBBJNKJO-UHFFFAOYSA-N",70798655,NA,"PDBC53348","795384","Present",NA,NA
+"53349","Sertraline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sertraline",NA,NA,"CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl","VGKDLMBJGBXTGI-SJCJKPOMSA-N",68617,NA,"PDBC53349",NA,"Absent",NA,NA
+"53350","Sertraline hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sertraline hydrochloride (usan)",NA,"CNC1CCC(C2=CC=CC=C12)C3=CC(=C(C=C3)Cl)Cl.Cl","BLFQGGGGFNSJKA-XHXSRVRCSA-N",63009,NA,"PDBC53350","758948","Present",NA,NA
+"53351","Serylglycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Serylglycine",NA,"C(C(C(=O)NCC(=O)O)N)O","WOUIMBGNEUWXQG-UHFFFAOYSA-N",136488,NA,"PDBC53351","88482","Present",NA,NA
+"53352","Sesartemin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SESARTEMIN-(+)",NA,"COC1=CC(=CC2=C1OCO2)C3C4COC(C4CO3)C5=CC(=C(C(=C5)OC)OC)OC","DHWUVPPRBIJJKS-VUEDXXQZSA-N",342737,NA,"PDBC53352","380470","Present",NA,NA
+"53353","Sesbanimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SESBANIMIDE",NA,"CC1C(=C)COC1(C2C(C(OCO2)C3CC(=O)NC(=O)C3)O)O","ULQATHQJWVNXEJ-UHFFFAOYSA-N",163490,NA,"PDBC53353","355461","Present",NA,NA
+"53354","Sesbanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sesbanine",NA,"C1CC2(CC1O)C3=C(C=NC=C3)C(=O)NC2=O","UETOAKFPMASNTK-JMCQJSRRSA-N",331428,NA,"PDBC53354","323780","Present",NA,NA
+"53355","Sesbanine N7-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SESBANIN N7-OXIDE (RACEMIC)",NA,"C1CC2(CC1O)C3=C(C=[N+](C=C3)[O-])C(=O)NC2=O","KEVNMSQFSQVFJG-UHFFFAOYSA-N",334451,NA,"PDBC53355","339666","Present",NA,NA
+"53356","Setoglaucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"setoglaucin",NA,"CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3Cl.[Cl-]","GRPFBMKYXAYEJM-UHFFFAOYSA-M",107404,NA,"PDBC53356","83193","Present",NA,NA
+"53357","Seviteronel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VT-464///S-(-)-1-[6,7-bis(difluoromethoxy)naphthalen-2-yl]-2-meth...",NA,"CC(C)C(C1=CC2=CC(=C(C=C2C=C1)OC(F)F)OC(F)F)(C3=NNN=C3)O","ZBRAJOQFSNYJMF-SFHVURJKSA-N",78357816,NA,"PDBC53357","783294///788846","Present",NA,NA
+"53358","Shikoccin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"shikoccin",NA,"CC(=O)OC1CCC2(C(C1(C)C)CC(C3=CC(CCC2=O)C(=C)C3=O)O)C","SZAHIEIJJDKFRX-UHFFFAOYSA-N",327536,NA,"PDBC53358","302979","Present",NA,NA
+"53359","Shiromodiol diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Shiromodiol diacetate",NA,"CC1=CCCC2(C(O2)C(C(C(C1)OC(=O)C)C(C)C)OC(=O)C)C","DRGFRBPYLMWXJS-RUQCQGRMSA-N",13559439,NA,"PDBC53359","707626","Present",NA,NA
+"53360","Shogaol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Shogaol",NA,"CCCCCC=CC(=O)CCC1=CC(=C(C=C1)O)OC","OQWKEEOHDMUXEO-BQYQJAHWSA-N",5281794,NA,"PDBC53360","752389","Present",NA,NA
+"53361","Shp2-IN-6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"JAB-3068",NA,"CC(=O)N1CC(C2=C1C=CC=C2SC3=NC=C(N=C3N)N4CCC5(CC4)COCC5N)(F)F","HGYTYZKWKUXRKA-MRXNPFEDSA-N",132222602,NA,"PDBC53361","827676","Present",NA,NA
+"53362","Siccamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Siccamide",NA,"C1=CC(=CC=C1S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N)Cl","AJSWHUXLZRXPJL-UHFFFAOYSA-N",202890,NA,"PDBC53362","698998","Present",NA,NA
+"53363","Silatecan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AR-67",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=CC(=C5)O)N=C4C3=C2)[Si](C)(C)C(C)(C)C)O","XUSKJHCMMWAAHV-SANMLTNESA-N",6712744,NA,"PDBC53363","708298","Present",NA,NA
+"53364","Silk Ponceau",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"silk ponceau",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC4=C(C=C3)C=C(C=C4)S(=O)(=O)O)O.[Na+]","MXZNSSKZBSDISF-UHFFFAOYSA-N",135422005,NA,"PDBC53364","45579","Present",NA,NA
+"53365","Silver Bis(NHC) Bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Silver Bis(NHC) Bromide",NA,NA,NA,NA,NA,"PDBC53365","767019","Present",NA,NA
+"53366","Silver mesylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"silver methylsulfonate",NA,"CS(=O)(=O)O.[Ag]","GTBQRHOYAUGRPV-UHFFFAOYSA-N",6712944,NA,"PDBC53366","83223","Present",NA,NA
+"53367","Silver,6,7,7,8,8,8-heptafluoro-3,5-octanedionato-O,O')-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Silver, (6,6,7,7,8,8,8-heptafluoro-3,5-octanedionato-O,O')-",NA,"CC(C)(C)C(=O)CC(=O)C(C(C(F)(F)F)(F)F)(F)F.[Ag]","AGHGGIAOTGPSQB-UHFFFAOYSA-N",425550,NA,"PDBC53367","174892","Present",NA,NA
+"53368","Silver;acetic acid;4-[(3-methyl-2H-benzimidazol-2-id-1-yl)methyl]benzonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-methyl-3-(4-cyanobenzyl) benzimidazole-2-ylidene) sil...",NA,"CC(=O)O.CN1[CH-]N(C2=CC=CC=C21)CC3=CC=C(C=C3)C#N.[Ag+]","CUBFOUOUORWORG-UHFFFAOYSA-N",155808184,NA,"PDBC53368","757138","Present",NA,NA
+"53369","Silvestrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Silvestrol",NA,"COC1C(OC(CO1)C(CO)O)OC2=CC3=C(C(=C2)OC)C4(C(C(C(C4(O3)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C(=O)OC)O)O","GVKXFVCXBFGBCD-QKDMMWSPSA-N",11787114,NA,"PDBC53369","783538","Present",NA,NA
+"53370","Simarubaceae",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"glarubin",NA,"CCC(C)(C(=O)OC1C2C(C(C3(C4C2(CO3)C(CC5C4(C(C(C=C5C)O)O)C)OC1=O)O)O)C)O","LZKVXMYVBSNXER-YZPKDWIXSA-N",441794,NA,"PDBC53370","14975","Present",NA,NA
+"53371","Simmondsin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Simmondsin",NA,"COC1CC(C(=CC#N)C(C1OC)O)OC2C(C(C(C(O2)CO)O)O)O","KURSRHBVYUACKS-XVNBXDOJSA-N",5383556,NA,"PDBC53371","174187","Present",NA,NA
+"53372","Singardin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Singardin",NA,"CC(=C)C1CCC23C(O2)C(CC4(CC(=O)C(O4)CC(=O)C1)C)OC(=O)C56CCC(CC(=O)CC7C(=O)CC(O7)(CC(C5O6)OC3=O)C)C(=C)C","JPXGEATUXBZSBO-VDQSPKFYSA-N",5469754,NA,"PDBC53372","692215","Present",NA,NA
+"53373","Sinulariolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sinulariolide",NA,"CC1=CCCC2(C(O2)CC3CCC(C(CC1)O)(OC(=O)C3=C)C)C","FONRUOAYELOHDC-AWNIVKPZSA-N",5358848,NA,"PDBC53373","285705","Present",NA,NA
+"53374","Siomycin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SIOMYCIN A",NA,"CC=C1C2=NC(CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC4C(OC(=O)C5=NC6=C(C=CC(C6O)NC(C(=O)NC(=C)C(=O)NC(=C)C(=O)NC(C(=O)NC7(CCC(=NC7C8=CSC4=N8)C9=NC(=CS9)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C2=NC(=CS2)C(=O)NC(C(=O)N1)C(C)O)C)C(C)C)C(=C5)C(C)O)C)C(C)(C(C)O)O","AKFVOKPQHFBYCA-ASKSIGGCSA-N",25200028,NA,"PDBC53374","285116","Present",NA,NA
+"53375","Sipharienolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sipharienolone",NA,"CCCC(C)CC(C)CC(C)C=C(C)C(C(C)C(=O)CC)O","SRDHWCIRTQIMSS-UVFBNVQVSA-N",5473196,NA,"PDBC53375","724397","Present",NA,NA
+"53376","Sipholenol-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sipholenol-A",NA,"CC1=CCC2C(CCC2(C)O)C(C1CCC3C4(CCC(C(OC4CCC3(C)O)(C)C)O)C)(C)C","LVWWPNAIMBYRKG-KOHQYJKCSA-N",342374,NA,"PDBC53376","378977","Present",NA,NA
+"53377","Sipholenone-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sipholenone-A",NA,"CC1=CCC2C(CCC2(C)O)C(C1CCC3C4(CCC(=O)C(OC4CCC3(C)O)(C)C)C)(C)C","LKZQMXLIWZQEEU-KOGSSWOMSA-N",342375,NA,"PDBC53377","378978","Present",NA,NA
+"53378","Siremadlin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"HDM-201",NA,"CC(C)N1C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)C4=CC(=CN(C4=O)C)Cl)N=C1C5=CN=C(N=C5OC)OC","AGBSXNCBIWWLHD-FQEVSTJZSA-N",71678098,NA,"PDBC53378","804520","Present",NA,NA
+"53379","Sirodesmin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sirodesmin A",NA,"CC1C(C(=O)C2(O1)CC3C(C2OC(=O)C)(CC45N3C(=O)C(N(C4=O)C)(SS5)CO)O)(C)C","KTAIGLOGMSQPCG-UHFFFAOYSA-N",325517,NA,"PDBC53379","294408","Present",NA,NA
+"53380","Sisomycin sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sisomin",NA,"CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O.OS(=O)(=O)O","JVTNJDPXUPRGIE-UHFFFAOYSA-N",5458403,NA,"PDBC53380","182856","Present",NA,NA
+"53381","Sitravatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sitravatinib",NA,"COCCNCC1=CN=C(C=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F","WLAVZAAODLTUSW-UHFFFAOYSA-N",25212148,NA,"PDBC53381","788203","Present",NA,NA
+"53382","Sjg-136",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"BN-2629",NA,"COC1=C(C=C2C(=C1)C(=O)N3CC(=C)CC3C=N2)OCCCOC4=C(C=C5C(=C4)N=CC6CC(=C)CN6C5=O)OC","RWZVMMQNDHPRQD-SFTDATJTSA-N",393111,NA,"PDBC53382","694501","Present",NA,NA
+"53383","Skullcapflavone II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Skullcapflavone II",NA,"COC1=CC=CC(=C1C2=CC(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)O","GMQFOKBGMKVUQZ-UHFFFAOYSA-N",124211,NA,"PDBC53383","717846","Present",NA,NA
+"53384","Skyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Skyrin",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C(=C3C2=O)C4=C5C(=C(C=C4O)O)C(=O)C6=C(C5=O)C=C(C=C6O)C)O)O","MQSXZQXHIJMNAF-UHFFFAOYSA-N",73071,NA,"PDBC53384","361128","Present",NA,NA
+"53385","Snc 80",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Snc 80",NA,"CCN(CC)C(=O)C1=CC=C(C=C1)C(C2=CC(=CC=C2)OC)N3CC(N(CC3C)CC=C)C","KQWVAUSXZDRQPZ-UMTXDNHDSA-N",123924,NA,"PDBC53385","707484","Present",NA,NA
+"53386","Sodagnitin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodagnitin A",NA,"CC1(C2CCC3(C(CCC3C2(CC(C1=O)O)C)C4=CCC(OC4O)C(=C)C5=CC(=O)C(O5)(C)C)C)C","RGYVYGAQTJOSEN-OPSOQUJQSA-N",400502,NA,"PDBC53386","712400","Present",NA,NA
+"53387","Sodagnitin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodagnitin C",NA,"CC1(C2CCC3(C(CCC3C2(CC(C1=O)OC(=O)CC(C)(CC(=O)O)O)C)C4=CCC(OC4O)C(=C)C5=CC(=O)C(O5)(C)C)C)C","DVUPORDGVNJPLI-MIBVFTOXSA-N",400503,NA,"PDBC53387","712401","Present",NA,NA
+"53388","Sodium .trans.-(dimethylsulfoxide)(isoquinoline)tetrachl...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium .trans.-(dimethylsulfoxide)(isoquinoline)tetrachl...",NA,NA,NA,NA,NA,"PDBC53388","648900","Present",NA,NA
+"53389","Sodium .trans.-(tetramethylensulfoxide)(indazole)tetra-c...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium .trans.-(tetramethylensulfoxide)(indazole)tetra-c...",NA,NA,NA,NA,NA,"PDBC53389","648902","Present",NA,NA
+"53390","Sodium .trans.-(tetramethylensulfoxide)(isoquinoline)tet...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium .trans.-(tetramethylensulfoxide)(isoquinoline)tet...",NA,NA,NA,NA,NA,"PDBC53390","648901","Present",NA,NA
+"53391","Sodium 2,2-dichloroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sodium dichloroacetate",NA,"C(C(=O)O)(Cl)Cl.[Na+]","LUPNKHXLFSSUGS-UHFFFAOYSA-N",20189670,NA,"PDBC53391","744479","Present",NA,NA
+"53392","Sodium Picosulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium Picosulfate",NA,NA,NA,NA,NA,"PDBC53392","784227","Present",NA,NA
+"53393","Sodium arsenic tungsten polyoxymetalate, hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium arsenic tungsten polyoxymetalate, hydrate",NA,NA,NA,NA,NA,"PDBC53393","630320","Present",NA,NA
+"53394","Sodium azotomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azotomycin",NA,"C(CC(=O)NC(CCC(=O)C=[N+]=N)C(=O)NC(CCC(=O)C=[N+]=N)C(=O)O)C(C(=O)O)N","ZPTLVAFRSYVZBM-UHFFFAOYSA-P",6332175,NA,"PDBC53394","56654","Present",NA,NA
+"53395","Sodium benzeneacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SODIUM PHENYLACETATE",NA,"C1=CC=C(C=C1)CC(=O)O.[Na+]","HZOREEUASZHZBI-UHFFFAOYSA-N",24180949,NA,"PDBC53395","3039","Present",NA,NA
+"53396","Sodium germano-.alpha.-alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium germano-.alpha.-alanine",NA,NA,NA,NA,NA,"PDBC53396","638252","Present",NA,NA
+"53397","Sodium germano-L-leucine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium germano-L-leucine",NA,NA,NA,NA,NA,"PDBC53397","638253","Present",NA,NA
+"53398","Sodium germano-L-tyrosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium germano-L-tyrosine",NA,NA,NA,NA,NA,"PDBC53398","638255","Present",NA,NA
+"53399","Sodium germano-mercaptoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium germano-mercaptoacetate",NA,NA,NA,NA,NA,"PDBC53399","638256","Present",NA,NA
+"53400","Sodium germano-methionine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium germano-methionine",NA,NA,NA,NA,NA,"PDBC53400","638254","Present",NA,NA
+"53401","Sodium tetrahydrohomopteroate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium tetrahydrohomopteroate",NA,"C1C(NC2=C(N1)N=C(NC2=O)N)CCNC3=CC=C(C=C3)C(=O)O.[Na+]","UCCYYNOHYAYETG-UHFFFAOYSA-N",135534557,NA,"PDBC53401","106505","Present",NA,NA
+"53402","Sodium;(2-carboxyphenyl)sulfanyl-ethylmercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thimerosal (usan)",NA,"CC[Hg]SC1=CC=CC=C1C(=O)O.[Na+]","RTKIYNMVFMVABJ-UHFFFAOYSA-M",22708994,NA,"PDBC53402","757340","Present",NA,NA
+"53403","Sodium;(2-heptadecyl-4,5-dihydroimidazol-1-yl)methanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;(2-heptadecyl-4,5-dihydroimidazol-1-yl)methanesulfonic acid",NA,"CCCCCCCCCCCCCCCCCC1=NCCN1CS(=O)(=O)O.[Na+]","DZUMCJXJWFVBEG-UHFFFAOYSA-N",54605378,NA,"PDBC53403","35985","Present",NA,NA
+"53404","Sodium;(2R)-2-(dimethylaminomethylideneamino)-2-phenylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656985",NA,"CN(C)C=NC(C1=CC=CC=C1)C(=O)O.[Na+]","IABVQMHDTPSBRO-HNCPQSOCSA-N",54611282,NA,"PDBC53404","656985","Present",NA,NA
+"53405","Sodium;(2R)-2-[(4-bromo-2-fluorobenzoyl)amino]-3-[[(2R)-2-[(4-bromo-2-fluorobenzoyl)amino]-2-carboxyethyl]diselanyl]propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N?-bis(4-bromo-2-fluorobenzoyl)-L-selenocystine disodi...",NA,"C1=CC(=C(C=C1Br)F)C(=O)NC(C[Se][Se]CC(C(=O)O)NC(=O)C2=C(C=C(C=C2)Br)F)C(=O)O.[Na+]","UOOWJUJANRPHQO-MOGJOVFKSA-N",54608950,NA,"PDBC53405","743379","Present",NA,NA
+"53406","Sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)C(=O)O)C.[Na+]","SPMSNLOCMFKTHY-OEIDWAKYSA-N",54601669,NA,"PDBC53406","670773","Present",NA,NA
+"53407","Sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(E)-3-phenylprop-2-enoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[[(E)-3-phenylprop-2-enoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC=CC=C3)C(=O)O)C.[Na+]","GKKPXRFRSRLROZ-OVPCWUGQSA-N",54608903,NA,"PDBC53407","670768","Present",NA,NA
+"53408","Sodium;(2S,5R,6R)-6-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;(2S,5R,6R)-6-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC(=C(C=C3)OC)OC)C(=O)O)C.[Na+]","QJTIUQUTUHVGLR-YENMJTEWSA-N",54600934,NA,"PDBC53408","670772","Present",NA,NA
+"53409","Sodium;(2S,5R,6R)-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;(2S,5R,6R)-6-[[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC(=C(C=C3)O)OC)C(=O)O)C.[Na+]","RDHITCMKKSQLQJ-XBVOGPEASA-N",54608766,NA,"PDBC53409","670771","Present",NA,NA
+"53410","Sodium;(2S,5R,6R)-6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;(2S,5R,6R)-6-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC=C(C=C3)OC)C(=O)O)C.[Na+]","QWEIHSYBUDLDHN-CYDQUTRQSA-N",54608577,NA,"PDBC53410","670770","Present",NA,NA
+"53411","Sodium;(2S,5R,6R)-6-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;(2S,5R,6R)-6-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid",NA,"CC1(C(N2C(S1)C(C2=O)NC(=O)C=CC3=CC=C(C=C3)N(C)C)C(=O)O)C.[Na+]","QUKMSPMTTQTWCT-XFUOVVGISA-N",54611284,NA,"PDBC53411","670769","Present",NA,NA
+"53412","Sodium;(3,3-dimethyl-2-oxobutyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC320514",NA,"CC(C)(C)C(=O)CP(=O)(O)O.[Na+]","WYFXIDUYGWEDOI-UHFFFAOYSA-N",54604521,NA,"PDBC53412","320514","Present",NA,NA
+"53413","Sodium;(3-acetyloxy-1,1-difluoro-4-hexadecoxybutyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;(3-acetyloxy-1,1-difluoro-4-hexadecoxybutyl)phosphonic acid",NA,"CCCCCCCCCCCCCCCCOCC(CC(F)(F)P(=O)(O)O)OC(=O)C.[Na+]","DIZCKGQKPIWCFM-UHFFFAOYSA-N",54611348,NA,"PDBC53413","699691","Present",NA,NA
+"53414","Sodium;(3-methyl-2-oxobutyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC320310",NA,"CC(C)C(=O)CP(=O)(O)O.[Na+]","RQDCGYQFQJKYMT-UHFFFAOYSA-N",54601833,NA,"PDBC53414","320310","Present",NA,NA
+"53415","Sodium;(3-methyloxirane-2-carbonyl)phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC675008",NA,"CC1C(O1)C(=O)P(=O)(O)O.[Na+]","YROPDTHZDHJLSO-UHFFFAOYSA-N",54608751,NA,"PDBC53415","675008","Present",NA,NA
+"53416","Sodium;(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-oxo-1H-indole-5-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;(3E)-3-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-2-oxo-1H-indole-5-carboxylic acid",NA,"CC1=CN2C(=C(N=C2S1)C)C=C3C4=C(C=CC(=C4)C(=O)O)NC3=O.[Na+]","QKLJYEISGCSTSM-WXIWBVQFSA-N",54612684,NA,"PDBC53416","736792","Present",NA,NA
+"53417","Sodium;(Z)-1,4-bis(sulfosulfanyl)but-2-ene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624160///NSC624161",NA,"C(C=CCSS(=O)(=O)O)SS(=O)(=O)O.[Na+]","YZRFKCVXGXUTPE-ODZAUARKSA-N",54600760,NA,"PDBC53417","624160///624161","Present",NA,NA
+"53418","Sodium;(Z)-diethylamino-hydroxyimino-oxidoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;(Z)-diethylamino-hydroxyimino-oxidoazanium",NA,"CCN(CC)[N+](=NO)[O-].[Na+]","AITOFAVTGFDHHI-YJOCEBFMSA-N",23676782,NA,"PDBC53418","634614","Present",NA,NA
+"53419","Sodium;1-hydroxy-2-phenylpropane-1-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC361607",NA,"CC(C1=CC=CC=C1)C(O)S(=O)(=O)O.[Na+]","UJXPLKFZJJTFLY-UHFFFAOYSA-N",54607755,NA,"PDBC53419","361607","Present",NA,NA
+"53420","Sodium;11-[dodecanoyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]undecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;11-[dodecanoyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]undecanoic acid",NA,"CCCCCCCCCCCC(=O)N(CCCCCCCCCCC(=O)O)CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O.[Na+]","CQJYBJHVTWJAMY-UHFFFAOYSA-N",54608521,NA,"PDBC53420","685993","Present",NA,NA
+"53421","Sodium;11-[hexadecanoyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]undecanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;11-[hexadecanoyl-[2,3,5,6-tetrahydroxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexyl]amino]undecanoic acid",NA,"CCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCC(=O)O)CC(C(C(C(CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O.[Na+]","PMWRBFCTSFNJDS-UHFFFAOYSA-N",54608522,NA,"PDBC53421","685994","Present",NA,NA
+"53422","Sodium;2,2,2-trichloroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;2,2,2-trichloroacetic acid",NA,"C(=O)(C(Cl)(Cl)Cl)O.[Na+]","SAQSTQBVENFSKT-UHFFFAOYSA-N",23617204,NA,"PDBC53422","620576","Present",NA,NA
+"53423","Sodium;2,2,3,3,4,4,5,5-octafluorohexanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC51277",NA,"C(=O)(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)O.[Na+]","PSAFGJSFLLLVFY-UHFFFAOYSA-N",54611873,NA,"PDBC53423","51277","Present",NA,NA
+"53424","Sodium;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylate",NA,"C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)[O-].[Na+]","AQZUAENGROAVOV-UHFFFAOYSA-M",23672878,NA,"PDBC53424","647380","Present",NA,NA
+"53425","Sodium;2-(2-amino-4-fluorophenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC613219",NA,"C1=CC(=C(C=C1F)N)CC(=O)O.[Na+]","BWSGYFVOAMBQRU-UHFFFAOYSA-N",54608036,NA,"PDBC53425","613219","Present",NA,NA
+"53426","Sodium;2-(2-oxopropylideneamino)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC310099",NA,"CC(=O)C=NCC(=O)O.[Na+]","FDELLQNMZWSJSF-UHFFFAOYSA-N",54601878,NA,"PDBC53426","310099","Present",NA,NA
+"53427","Sodium;2-(3-nitro-4-oxoquinolin-1-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640665",NA,"C1=CC=C2C(=C1)C(=O)C(=CN2CC(=O)O)[N+](=O)[O-].[Na+]","RYNXIVBDOMKIPQ-UHFFFAOYSA-N",54611340,NA,"PDBC53427","640665","Present",NA,NA
+"53428","Sodium;2-(5-nitro-4-oxoquinolin-1-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640666",NA,"C1=CC2=C(C(=O)C=CN2CC(=O)O)C(=C1)[N+](=O)[O-].[Na+]","QROIGVNWDZAONM-UHFFFAOYSA-N",54611341,NA,"PDBC53428","640666","Present",NA,NA
+"53429","Sodium;2-(5-nitro-9-oxoxanthen-4-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639858",NA,"C1=CC(=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)[N+](=O)[O-])CC(=O)O.[Na+]","LZRSZVGNLYLACY-UHFFFAOYSA-N",54608930,NA,"PDBC53429","639858","Present",NA,NA
+"53430","Sodium;2-(6-nitro-4-oxoquinolin-1-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640667",NA,"C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C=CN2CC(=O)O.[Na+]","VGACBAVRFXYCTD-UHFFFAOYSA-N",54602097,NA,"PDBC53430","640667","Present",NA,NA
+"53431","Sodium;2-(7-nitro-4-oxoquinolin-1-yl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640668",NA,"C1=CC2=C(C=C1[N+](=O)[O-])N(C=CC2=O)CC(=O)O.[Na+]","DRBPUWFYBYEFBL-UHFFFAOYSA-N",54608772,NA,"PDBC53431","640668","Present",NA,NA
+"53432","Sodium;2-[(4-aminophenyl)sulfonylamino]ethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC28977",NA,"C1=CC(=CC=C1N)S(=O)(=O)NCCS(=O)(=O)O.[Na+]","NTLWFAGZLGPMCS-UHFFFAOYSA-N",24183657,NA,"PDBC53432","28977","Present",NA,NA
+"53433","Sodium;2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;2-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyacetic acid",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCC(=O)O.[Na+]","JWWZFSVBHANRIP-JEBHESKQSA-N",135436299,NA,"PDBC53433","717839","Present",NA,NA
+"53434","Sodium;2-[dimethyl-[naphthalen-1-yl-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-ylidene)methoxy]silyl]oxyethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;2-[dimethyl-[naphthalen-1-yl-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-ylidene)methoxy]silyl]oxyethanesulfonic acid",NA,"C[Si](C)(OCCS(=O)(=O)O)OC(=C1S(=O)(=O)OCCOS1(=O)=O)C2=CC=CC3=CC=CC=C32.[Na+]","CLZUSSCFKVVGRH-UHFFFAOYSA-N",54608162,NA,"PDBC53434","679049","Present",NA,NA
+"53435","Sodium;2-[phenyl(sulfanyl)phosphinothioyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634091",NA,"C1=CC=C(C=C1)P(=S)(CC(=O)O)S.[Na+]","QNIPNPALOZAARG-UHFFFAOYSA-N",54608094,NA,"PDBC53435","634091","Present",NA,NA
+"53436","Sodium;2-amino-2-benzylpropanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC20138",NA,"C1=CC=C(C=C1)CC(C(=O)O)(C(=O)O)N.[Na+]","JJXVUPKLIAWOSO-UHFFFAOYSA-N",24182765,NA,"PDBC53436","20138","Present",NA,NA
+"53437","Sodium;2-amino-3-tritylsulfanylpropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;2-amino-3-tritylsulfanylpropanoic acid",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N.[Na+]","YQHIGXVUIFOIMJ-UHFFFAOYSA-N",54598975,NA,"PDBC53437","124664","Present",NA,NA
+"53438","Sodium;2-chloroethoxysulfonylmethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634865",NA,"C(CCl)OS(=O)(=O)CS(=O)(=O)O.[Na+]","SKFQNRCFLUFKQX-UHFFFAOYSA-N",54611429,NA,"PDBC53438","634865","Present",NA,NA
+"53439","Sodium;2-phenoxathiin-4-ylacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC646936",NA,"C1=CC=C2C(=C1)OC3=C(C=CC=C3S2)CC(=O)O.[Na+]","VWBUESVORPDLQN-UHFFFAOYSA-N",54598682,NA,"PDBC53439","646936","Present",NA,NA
+"53440","Sodium;3,4-bis[N-[5-(diethylamino)pentan-2-yl]-C-(3-methoxyphenyl)carbonimidoyl]pyrrol-1-ide-2,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium 3,4-bis[(E)-{[(2RS)-5-(diethylamino)pentan-2-yl]i...",NA,"CCN(CC)CCCC(C)N=C(C1=CC(=CC=C1)OC)C2=C(C(=O)[N-]C2=O)C(=NC(C)CCCN(CC)CC)C3=CC(=CC=C3)OC.[Na+]","NLYGDLHBALTITI-UHFFFAOYSA-M",155814690,NA,"PDBC53440","776824","Present",NA,NA
+"53441","Sodium;3,5-dichloro-2-methoxybenzenesulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624180",NA,"COC1=C(C=C(C=C1Cl)Cl)S(=O)O.[Na+]","GJZXXBSAJATWDC-UHFFFAOYSA-N",54608902,NA,"PDBC53441","624180","Present",NA,NA
+"53442","Sodium;3,5-dichloro-2-phenylmethoxybenzenesulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624181",NA,"C1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)Cl)S(=O)O.[Na+]","IVPPDGCMVFRQDA-UHFFFAOYSA-N",54611740,NA,"PDBC53442","624181","Present",NA,NA
+"53443","Sodium;3,5-dichloro-4-methoxybenzenesulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624183",NA,"COC1=C(C=C(C=C1Cl)S(=O)O)Cl.[Na+]","TUOUHMNTQZOOLY-UHFFFAOYSA-N",54608664,NA,"PDBC53443","624183","Present",NA,NA
+"53444","Sodium;3-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)propane-1-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;3-(2,2,4,4-tetraoxo-1,5,2,4-dioxadithiepan-3-yl)propane-1-sulfonic acid",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)CCCS(=O)(=O)O.[Na+]","IIJGHRQKMQEGTR-UHFFFAOYSA-N",54602175,NA,"PDBC53444","674994","Present",NA,NA
+"53445","Sodium;3-(3-chloroanilino)-4-oxocyclopent-2-ene-1-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;3-(3-chloroanilino)-4-oxocyclopent-2-ene-1-sulfonic acid",NA,"C1C(C=C(C1=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)O.[Na+]","JRAZTTFXAQVBBG-UHFFFAOYSA-N",54611335,NA,"PDBC53445","620078","Present",NA,NA
+"53446","Sodium;3-(3-sulfinopropyltrisulfanyl)propane-1-sulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624193",NA,"C(CSSSCCCS(=O)O)CS(=O)O.[Na+]","AZQKXFFCVVHJQM-UHFFFAOYSA-N",54608899,NA,"PDBC53446","624193","Present",NA,NA
+"53447","Sodium;3-(phenyldisulfanyl)propane-1-sulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624196",NA,"C1=CC=C(C=C1)SSCCCS(=O)O.[Na+]","LEPDHJAAUNTPMA-UHFFFAOYSA-N",54608712,NA,"PDBC53447","624196","Present",NA,NA
+"53448","Sodium;3-[(4-methylphenyl)disulfanyl]propane-1-sulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624195",NA,"CC1=CC=C(C=C1)SSCCCS(=O)O.[Na+]","GLEUVLFGOQPMTP-UHFFFAOYSA-N",54607990,NA,"PDBC53448","624195","Present",NA,NA
+"53449","Sodium;3-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;3-[(E)-[2-(2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropanoic acid",NA,"C1=CC=C2C(=C1)C(=C(N2)O)C3=NC4=CC=CC=C4C3=NOCCC(=O)O.[Na+]","BYWWYXKAUHCHQB-GDHRODDYSA-N",135436300,NA,"PDBC53449","717840","Present",NA,NA
+"53450","Sodium;3-ethoxy-3-oxo-2-(phenylmethoxycarbonylamino)propanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668580",NA,"CCOC(=O)C(C(=O)O)NC(=O)OCC1=CC=CC=C1.[Na+]","DSEZUGIFEFRNCP-UHFFFAOYSA-N",54611343,NA,"PDBC53450","668580","Present",NA,NA
+"53451","Sodium;3-hydroxy-4-[(3-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;3-hydroxy-4-[(3-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O.[Na+]","FMTSPPGFFMPUCO-UHFFFAOYSA-N",135421981,NA,"PDBC53451","45541","Present",NA,NA
+"53452","Sodium;3-hydroxy-4-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;3-hydroxy-4-[(4-nitrophenyl)diazenyl]naphthalene-2,7-disulfonic acid",NA,"C1=CC(=CC=C1N=NC2=C3C=CC(=CC3=CC(=C2O)S(=O)(=O)O)S(=O)(=O)O)[N+](=O)[O-].[Na+]","FBGWEPGOOPUAJM-UHFFFAOYSA-N",135421980,NA,"PDBC53452","45540","Present",NA,NA
+"53453","Sodium;3-naphthalen-1-ylpropane-1-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC2737",NA,"C1=CC=C2C(=C1)C=CC=C2CCCS(=O)(=O)O.[Na+]","ITWGEVGQNMUWNL-UHFFFAOYSA-N",24180923,NA,"PDBC53453","2737","Present",NA,NA
+"53454","Sodium;4-(2-aminoethyl)-3-nitrobenzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC166395",NA,"C1=CC(=C(C=C1S(=O)(=O)O)[N+](=O)[O-])CCN.[Na+]","GOMJVQHOWTYSSS-UHFFFAOYSA-N",54606873,NA,"PDBC53454","166395","Present",NA,NA
+"53455","Sodium;4-(3,4-dichlorophenyl)piperazine-1-carbodithioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682089",NA,"C1CN(CCN1C2=CC(=C(C=C2)Cl)Cl)C(=S)S.[Na+]","OKSLPHJAMQPLLM-UHFFFAOYSA-N",54608754,NA,"PDBC53455","682089","Present",NA,NA
+"53456","Sodium;4-(3-chlorophenyl)piperazine-1-carbodithioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682090",NA,"C1CN(CCN1C2=CC(=CC=C2)Cl)C(=S)S.[Na+]","OAWOIYWOUVMNJB-UHFFFAOYSA-N",54608468,NA,"PDBC53456","682090","Present",NA,NA
+"53457","Sodium;4-(4-hydroxysulfonothioylbutyldisulfanyl)butane-1-sulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624201",NA,"C(CCS(=O)O)CSSCCCCS(=O)(=S)O.[Na+]","ZWLSKEVDYLWQPA-UHFFFAOYSA-N",54607993,NA,"PDBC53457","624201","Present",NA,NA
+"53458","Sodium;4-(acridin-9-ylamino)benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-(9-acridinylamino)-, monosodium salt (9CI)",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)C(=O)O.[Na+]","ZVYRFNQEWOZDNN-UHFFFAOYSA-N",54610666,NA,"PDBC53458","235082","Present",NA,NA
+"53459","Sodium;4-[(4-methylphenyl)disulfanyl]butane-1-sulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624199",NA,"CC1=CC=C(C=C1)SSCCCCS(=O)O.[Na+]","XQFIVRPPAAFGRS-UHFFFAOYSA-N",54607992,NA,"PDBC53459","624199","Present",NA,NA
+"53460","Sodium;4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;4-[4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)-hydroxymethyl]anilino]benzenesulfonic acid",NA,"CC1=C(C=CC(=C1)C(C2=CC=C(C=C2)NC3=CC=CC=C3)(C4=CC=C(C=C4)NC5=CC=C(C=C5)S(=O)(=O)O)O)N.[Na+]","OWKORNNCILLSEK-UHFFFAOYSA-N",24181124,NA,"PDBC53460","5014","Present",NA,NA
+"53461","Sodium;4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;4-[[(5S,8aR)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]amino]benzoic acid",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)NC6=CC=C(C=C6)C(=O)O.[Na+]","SITJWLIOUCLBGN-FEKGNFRDSA-N",54612576,NA,"PDBC53461","651853","Present",NA,NA
+"53462","Sodium;4-[[2,3-dihydroxy-4-(4-sulfinobutyldisulfanyl)butyl]disulfanyl]butane-1-sulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624202///NSC624203",NA,"C(CCS(=O)O)CSSCC(C(CSSCCCCS(=O)O)O)O.[Na+]","HFLNFLDMBWTADQ-UHFFFAOYSA-N",54608924,NA,"PDBC53462","624202///624203","Present",NA,NA
+"53463","Sodium;4-acetyl-1-phenylpyrrolidine-2,3,5-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC657423",NA,"CC(=O)C1C(=O)C(=O)N(C1=O)C2=CC=CC=C2.[Na+]","SITWILPIMAUESN-UHFFFAOYSA-N",54608584,NA,"PDBC53463","657423","Present",NA,NA
+"53464","Sodium;4-amino-5-hydroxy-6-phenyldiazenylnaphthalene-1,3-disulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC45554",NA,"C1=CC=C(C=C1)N=NC2=C(C3=C(C=C2)C(=CC(=C3N)S(=O)(=O)O)S(=O)(=O)O)O.[Na+]","FCNCEJUSSJYXJX-UHFFFAOYSA-N",135421990,NA,"PDBC53464","45554","Present",NA,NA
+"53465","Sodium;4-methoxy-3-[(4-methylphenyl)sulfonylamino]benzenesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC606533",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=CC(=C2)S(=O)(=O)O)OC.[Na+]","DHSICNHNCADDDV-UHFFFAOYSA-N",54608027,NA,"PDBC53465","606533","Present",NA,NA
+"53466","Sodium;4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;4-methyl-N-[2-[(4-methylphenyl)sulfonyl-[2-[(4-methylphenyl)sulfonylamino]ethyl]amino]ethyl]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCN(CCNS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C.[Na+]","BGYZATYJNFRQSJ-UHFFFAOYSA-N",54608750,NA,"PDBC53466","719710","Present",NA,NA
+"53467","Sodium;4-phenylpiperazine-1-carbodithioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC682088",NA,"C1CN(CCN1C2=CC=CC=C2)C(=S)S.[Na+]","PXQBIRUINVQQKX-UHFFFAOYSA-N",54608467,NA,"PDBC53467","682088","Present",NA,NA
+"53468","Sodium;5,6-dihydroxy-7,12-dioxo-4a,12b-dihydronaphtho[2,3-f]quinoline-5,6-disulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC13977///NSC7576",NA,"C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(C(C4C3C=CC=N4)(O)S(=O)(=O)O)(O)S(=O)(=O)O.[Na+]","BSLZHKNMBXIILQ-UHFFFAOYSA-N",24181285,NA,"PDBC53468","13977///7576","Present",NA,NA
+"53469","Sodium;5-(5-sulfinopentyltrisulfanyl)pentane-1-sulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624192",NA,"C(CCSSSCCCCCS(=O)O)CCS(=O)O.[Na+]","HYBRKEGOAIMOLP-UHFFFAOYSA-N",54608711,NA,"PDBC53469","624192","Present",NA,NA
+"53470","Sodium;5-(phenyldisulfanyl)pentane-1-sulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624191",NA,"C1=CC=C(C=C1)SSCCCCCS(=O)O.[Na+]","HYWZNACICVRUPY-UHFFFAOYSA-N",54608734,NA,"PDBC53470","624191","Present",NA,NA
+"53471","Sodium;5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;5-[(2,4-dimethylphenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonic acid",NA,"CC1=CC(=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O)C.[Na+]","ZCJBGUAIONCVNG-UHFFFAOYSA-N",135422001,NA,"PDBC53471","45569","Present",NA,NA
+"53472","Sodium;5-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenesulfonic acid, 5-[(2-hydroxy-1-naphthalenyl...",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC4=C3C=CC(=C4)S(=O)(=O)O)O.[Na+]","ZQZDZGKEAGXSSW-UHFFFAOYSA-N",135422002,NA,"PDBC53472","45576","Present",NA,NA
+"53473","Sodium;5-[(4-chlorophenyl)disulfanyl]pentane-1-sulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624194",NA,"C1=CC(=CC=C1SSCCCCCS(=O)O)Cl.[Na+]","DVHQJIUSGRVDNH-UHFFFAOYSA-N",54611344,NA,"PDBC53473","624194","Present",NA,NA
+"53474","Sodium;5-[(4-methylphenyl)disulfanyl]pentane-1-sulfinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624190",NA,"CC1=CC=C(C=C1)SSCCCCCS(=O)O.[Na+]","XOEDDKMCDAJVER-UHFFFAOYSA-N",54608788,NA,"PDBC53474","624190","Present",NA,NA
+"53475","Sodium;5-[(6-methoxyquinolin-8-yl)diazenyl]quinolin-8-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;5-[(6-methoxyquinolin-8-yl)diazenyl]quinolin-8-ol",NA,"COC1=CC(=C2C(=C1)C=CC=N2)N=NC3=C4C=CC=NC4=C(C=C3)O.[Na+]","UBGDLDLAWJFFMH-UHFFFAOYSA-N",135436503,NA,"PDBC53475","5896","Present",NA,NA
+"53476","Sodium;5-acetamido-4-hydroxy-2-[3-[2-(prop-2-enoylamino)ethylsulfanyl]propoxy]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;5-acetamido-4-hydroxy-2-[3-[2-(prop-2-enoylamino)ethylsulfanyl]propoxy]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid",NA,"CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCCCSCCNC(=O)C=C)O.[Na+]","VICSDBJPMRYNHI-UHFFFAOYSA-N",54611314,NA,"PDBC53476","631409","Present",NA,NA
+"53477","Sodium;5-oxo-1-phenyl-2H-triazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC684057",NA,"C1=CC=C(C=C1)N2C(=O)C(=NN2)C(=O)N.[Na+]","JSQZVQQJGBQXNI-UHFFFAOYSA-N",54604850,NA,"PDBC53477","684057","Present",NA,NA
+"53478","Sodium;5H-benzo[a]phenothiazine-6-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC34782",NA,"C1C2=CC=CC=C2C3=NC4=CC=CC=C4SC3=C1S(=O)(=O)O.[Na+]","LQRKKYWWYNDXJL-UHFFFAOYSA-N",54609314,NA,"PDBC53478","34782","Present",NA,NA
+"53479","Sodium;6-amino-1H-pyrimidin-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;6-amino-1H-pyrimidin-2-one",NA,"C1=C(NC(=O)N=C1)N.[Na+]","JVLUYUNNSCKSOF-UHFFFAOYSA-N",54598731,NA,"PDBC53479","637532","Present",NA,NA
+"53480","Sodium;6-hydroxy-5-[(4-methylphenyl)diazenyl]naphthalene-2-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC65823///NSC7814",NA,"CC1=CC=C(C=C1)N=NC2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)O.[Na+]","KFIMNKJZVLWIFS-UHFFFAOYSA-N",135422233,NA,"PDBC53480","65823///7814","Present",NA,NA
+"53481","Sodium;7-[[1-methyl-4-[[1-methyl-4-[[1-methyl-5-[[1-methyl-5-[(4,6,8-trisulfonaphthalen-2-yl)carbamoyl]pyrrol-3-yl]carbamoyl]pyrrol-3-yl]carbamoylamino]pyrrole-2-carbonyl]amino]pyrrole-2-carbonyl]amino]naphthalene-1,3,5-trisulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,5-Naphthalenetrisulfonic acid, 7,7'-[carbonylbis [im...",NA,"CN1C=C(C=C1C(=O)NC2=CC3=C(C=C(C=C3S(=O)(=O)O)S(=O)(=O)O)C(=C2)S(=O)(=O)O)NC(=O)C4=CC(=CN4C)NC(=O)NC5=CN(C(=C5)C(=O)NC6=CN(C(=C6)C(=O)NC7=CC8=C(C=C(C=C8S(=O)(=O)O)S(=O)(=O)O)C(=C7)S(=O)(=O)O)C)C.[Na+]","WFXWCKWTAUWHBE-UHFFFAOYSA-N",373982,NA,"PDBC53481","651015","Present",NA,NA
+"53482","Sodium;8-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;8-[(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-2-sulfonic acid",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=CC4=C3C=C(C=C4)S(=O)(=O)O)O.[Na+]","KLDJASJUZOFMPP-UHFFFAOYSA-N",135422003,NA,"PDBC53482","45577","Present",NA,NA
+"53483","Sodium;9-chloro-7-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;9-chloro-7-(2H-tetrazol-5-yl)chromeno[2,3-b]pyridin-5-one",NA,"C1=CC2=C(N=C1)OC3=C(C2=O)C=C(C=C3Cl)C4=NNN=N4.[Na+]","OYXAHBZQUPAGSR-UHFFFAOYSA-N",22498615,NA,"PDBC53483","330806","Present",NA,NA
+"53484","Sodium;N-(2-pyridin-2-ylquinazolin-4-yl)nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC605607",NA,"C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=CC=N3)NN=O.[Na+]","ZVWNLWOLKCXTNM-UHFFFAOYSA-N",54608005,NA,"PDBC53484","605607","Present",NA,NA
+"53485","Sodium;N-(2-pyridin-3-ylquinazolin-4-yl)nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC604167",NA,"C1=CC=C2C(=C1)C(=NC(=N2)C3=CN=CC=C3)NN=O.[Na+]","AEEVXYVEXSQKKZ-UHFFFAOYSA-N",54608059,NA,"PDBC53485","604167","Present",NA,NA
+"53486","Sodium;N-(4-methylphenyl)-[3-[(4-methylphenyl)carbamoyl]phenoxy]phosphonamidic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;N-(4-methylphenyl)-[3-[(4-methylphenyl)carbamoyl]phenoxy]phosphonamidic acid",NA,"CC1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)OP(=O)(NC3=CC=C(C=C3)C)O.[Na+]","HVAQFNFZVALHJY-UHFFFAOYSA-N",54604807,NA,"PDBC53486","669806","Present",NA,NA
+"53487","Sodium;N-(5-naphthalen-2-ylsulfanylpyridin-2-yl)nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazene, hydroxy[5-[(2-naphthalenyl)thio]-2-pyridinyl]-,...",NA,"C1=CC=C2C=C(C=CC2=C1)SC3=CN=C(C=C3)NN=O.[Na+]","BRHPHYIVLPVNOG-UHFFFAOYSA-N",54611149,NA,"PDBC53487","600759","Present",NA,NA
+"53488","Sodium;N-(5-naphthalen-2-ylsulfonylpyridin-2-yl)nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC603533",NA,"C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)C3=CN=C(C=C3)NN=O.[Na+]","WIFBLBKXDKIWPF-UHFFFAOYSA-N",54608054,NA,"PDBC53488","603533","Present",NA,NA
+"53489","Sodium;N-(5-phenylpyridin-2-yl)nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazene, hydroxy(5-phenyl-2-pyridinyl)-, sodium salt",NA,"C1=CC=C(C=C1)C2=CN=C(C=C2)NN=O.[Na+]","HBHQMAKWZSFHJW-UHFFFAOYSA-N",54608018,NA,"PDBC53489","600167","Present",NA,NA
+"53490","Sodium;N-(6-methoxypyridazin-3-yl)-4-[[4-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]imino-1-oxonaphthalen-2-yl]amino]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;N-(6-methoxypyridazin-3-yl)-4-[[4-[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]imino-1-oxonaphthalen-2-yl]amino]benzenesulfonamide",NA,"COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)NC3=CC(=NC4=CC=C(C=C4)S(=O)(=O)NC5=NN=C(C=C5)OC)C6=CC=CC=C6C3=O.[Na+]","CHUKCLHJDRVCMC-UHFFFAOYSA-N",54601653,NA,"PDBC53490","656125","Present",NA,NA
+"53491","Sodium;N-[5-(benzenesulfinyl)pyridin-2-yl]nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazene, hydroxy[5-(phenylsulfinyl)-2-pyridinyl]-, sodiu...",NA,"C1=CC=C(C=C1)S(=O)C2=CN=C(C=C2)NN=O.[Na+]","QRHUIEPYWPSJKA-UHFFFAOYSA-N",54611153,NA,"PDBC53491","603534","Present",NA,NA
+"53492","Sodium;N-[5-(benzenesulfonyl)pyridin-2-yl]nitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazene, hydroxy[5-(phenylsulfonyl)-2-pyridinyl]-, sodiu...",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=CN=C(C=C2)NN=O.[Na+]","KZUODZFQKFAICO-UHFFFAOYSA-N",54598730,NA,"PDBC53492","600760","Present",NA,NA
+"53493","Sodium;N-benzyl-5-oxo-1,2-dihydrotriazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683596",NA,"C1=CC=C(C=C1)CNC(=O)C2=NNNC2=O.[Na+]","LARSFJWMUZPZMT-UHFFFAOYSA-N",54608469,NA,"PDBC53493","683596","Present",NA,NA
+"53494","Sodium;N-di(propan-2-yloxy)phosphinothioylbenzenecarbothioamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650439",NA,"CC(C)OP(=S)(NC(=S)C1=CC=CC=C1)OC(C)C.[Na+]","KHJKALWVEHGAIM-UHFFFAOYSA-N",54608540,NA,"PDBC53494","650439","Present",NA,NA
+"53495","Sodium;N-methyl-5-oxo-1,2-dihydrotriazole-4-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686665",NA,"CNC(=O)C1=NNNC1=O.[Na+]","ZSODSRDQGJUJGJ-UHFFFAOYSA-N",54608533,NA,"PDBC53495","686665","Present",NA,NA
+"53496","Sodium;N-quinolin-2-ylnitrous amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diazene, hydroxy(2-quinolinyl)-, sodium salt",NA,"C1=CC=C2C(=C1)C=CC(=N2)NN=O.[Na+]","BVPCZIJEHXHTPT-UHFFFAOYSA-N",54608705,NA,"PDBC53496","607636","Present",NA,NA
+"53497","Sodium;[(diaminomethylideneamino)-phosphonomethyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC697576",NA,"C(N=C(N)N)(P(=O)(O)O)P(=O)(O)O.[Na+]","OKCVMWXERWAOLO-UHFFFAOYSA-N",54608850,NA,"PDBC53497","697576","Present",NA,NA
+"53498","Sodium;[2-(4-amino-2-oxopyrimidin-1-yl)ethoxy-phenylmethyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;[2-(4-amino-2-oxopyrimidin-1-yl)ethoxy-phenylmethyl]phosphonic acid",NA,"C1=CC=C(C=C1)C(OCCN2C=CC(=NC2=O)N)P(=O)(O)O.[Na+]","RPFZIFVTXGZFCG-UHFFFAOYSA-N",54598687,NA,"PDBC53498","653812","Present",NA,NA
+"53499","Sodium;[2-(6-aminopurin-9-yl)ethoxy-phenylmethyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;[2-(6-aminopurin-9-yl)ethoxy-phenylmethyl]phosphonic acid",NA,"C1=CC=C(C=C1)C(OCCN2C=NC3=C(N=CN=C32)N)P(=O)(O)O.[Na+]","BNFUUFPQCHBBEJ-UHFFFAOYSA-N",54604793,NA,"PDBC53499","653810","Present",NA,NA
+"53500","Sodium;[3-[(2,6-diaminopurin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653807///NSC653820",NA,"C1=CC=C(C=C1)C(CC(CN2C=NC3=C(N=C(N=C32)N)N)CO)P(=O)(O)O.[Na+]","XPGQGYZCUWYTCO-UHFFFAOYSA-N",54608165,NA,"PDBC53500","653807///653820","Present",NA,NA
+"53501","Sodium;[3-[(2-amino-6-oxo-1H-purin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653806///NSC653819",NA,"C1=CC=C(C=C1)C(CC(CN2C=NC3=C2N=C(NC3=O)N)CO)P(=O)(O)O.[Na+]","OVWPDPICQUNEDT-UHFFFAOYSA-N",135499349,NA,"PDBC53501","653806///653819","Present",NA,NA
+"53502","Sodium;[3-[(4-amino-2-oxopyrimidin-1-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653809///NSC653822",NA,"C1=CC=C(C=C1)C(CC(CN2C=CC(=NC2=O)N)CO)P(=O)(O)O.[Na+]","SMOKZVFIBZLYTB-UHFFFAOYSA-N",54608166,NA,"PDBC53502","653809///653822","Present",NA,NA
+"53503","Sodium;[3-[(6-aminopurin-9-yl)methyl]-4-hydroxy-1-phenylbutyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC653808///NSC653821",NA,"C1=CC=C(C=C1)C(CC(CN2C=NC3=C(N=CN=C32)N)CO)P(=O)(O)O.[Na+]","PEOUDQVIDGPPBC-UHFFFAOYSA-N",54608755,NA,"PDBC53503","653808///653821","Present",NA,NA
+"53504","Sodium;[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]sulfamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;[4-(1,3-benzothiazol-2-yl)-2-chlorophenyl]sulfamic acid",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CC(=C(C=C3)NS(=O)(=O)O)Cl.[Na+]","ZTLOACHXBVROBG-UHFFFAOYSA-N",54608881,NA,"PDBC53504","696154","Present",NA,NA
+"53505","Sodium;[4-(2,6-diaminopurin-9-yl)-1-phenylbutyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;[4-(2,6-diaminopurin-9-yl)-1-phenylbutyl]phosphonic acid",NA,"C1=CC=C(C=C1)C(CCCN2C=NC3=C(N=C(N=C32)N)N)P(=O)(O)O.[Na+]","ZDHNGQLSGGZHMV-UHFFFAOYSA-N",54608880,NA,"PDBC53505","653817","Present",NA,NA
+"53506","Sodium;[4-(2-amino-6-chloropurin-9-yl)-1-phenylbutyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;[4-(2-amino-6-chloropurin-9-yl)-1-phenylbutyl]phosphonic acid",NA,"C1=CC=C(C=C1)C(CCCN2C=NC3=C2N=C(N=C3Cl)N)P(=O)(O)O.[Na+]","PJJAZQALJDEUTM-UHFFFAOYSA-N",54600920,NA,"PDBC53506","653816","Present",NA,NA
+"53507","Sodium;[4-(2-amino-6-oxo-1H-purin-9-yl)-1-phenylbutyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;[4-(2-amino-6-oxo-1H-purin-9-yl)-1-phenylbutyl]phosphonic acid",NA,"C1=CC=C(C=C1)C(CCCN2C=NC3=C2N=C(NC3=O)N)P(=O)(O)O.[Na+]","BMAJNTMGXMZXMJ-UHFFFAOYSA-N",135499351,NA,"PDBC53507","653818","Present",NA,NA
+"53508","Sodium;[4-(4-amino-2-oxopyrimidin-1-yl)-1-phenylbutyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;[4-(4-amino-2-oxopyrimidin-1-yl)-1-phenylbutyl]phosphonic acid",NA,"C1=CC=C(C=C1)C(CCCN2C=CC(=NC2=O)N)P(=O)(O)O.[Na+]","QBZQAEUOZLAKDN-UHFFFAOYSA-N",54608167,NA,"PDBC53508","653815","Present",NA,NA
+"53509","Sodium;[4-(6-aminopurin-9-yl)-1-phenylbutyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;[4-(6-aminopurin-9-yl)-1-phenylbutyl]phosphonic acid",NA,"C1=CC=C(C=C1)C(CCCN2C=NC3=C(N=CN=C32)N)P(=O)(O)O.[Na+]","GIFFNKAKCXNOOB-UHFFFAOYSA-N",54604794,NA,"PDBC53509","653814","Present",NA,NA
+"53510","Sodium;[4-[(E)-2-[4-[[2-methoxy-4-[(4-methoxy-3-sulfophenyl)diazenyl]-5-methylphenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-[4-[(E)-2-[4-[[2-methoxy-4-[(4-methoxy-3-sulfophenyl)diazenyl]-5-methylphenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]imino-oxidoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;[4-[(E)-2-[4-[[2-methoxy-4-[(4-methoxy-3-sulfophenyl)diazenyl]-5-methylphenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-[4-[(E)-2-[4-[[2-methoxy-4-[(4-methoxy-3-sulfophenyl)diazenyl]-5-me",NA,"CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)OC)S(=O)(=O)O)OC)N=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=[N+](C5=CC(=C(C=C5)C=CC6=C(C=C(C=C6)N=NC7=C(C=C(C(=C7)C)N=NC8=CC(=C(C=C8)OC)S(=O)(=O)O)OC)S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O.[Na+]","DPUCKCMISOVNCT-YVOIEUOLSA-N",54609345,NA,"PDBC53510","35615","Present",NA,NA
+"53511","Sodium;[4-[benzyl(methyl)amino]phenyl]-ethoxycarbonylphosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683275",NA,"CCOC(=O)P(=O)(C1=CC=C(C=C1)N(C)CC2=CC=CC=C2)O.[Na+]","NMIRTIZPAWBTOG-UHFFFAOYSA-N",54608489,NA,"PDBC53511","683275","Present",NA,NA
+"53512","Sodium;[5-[(2-amino-3-phenylpropanoyl)oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-amino-3-phenylpropanoate;2,3,4,5,6-pentahydroxyhexanoic acid;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Phenylalanine, (1,3,3a,3b,4,4a,5,7,7a,8,8a,8b-dodecahy...",NA,"C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C(CC7=CC=CC=C7)N)N.C(C(C(C(C(C(=O)O)O)O)O)O)O.[Na+].[Cl-]","NRRZIBNQPBLBOB-UHFFFAOYSA-M",355058,NA,"PDBC53512","608003","Present",NA,NA
+"53513","Sodium;[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hexadecyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669260///NSC672974",NA,"CCCCCCCCCCCCCCCCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]","VRKUKRQXQSYAFW-UHFFFAOYSA-N",54600921,NA,"PDBC53513","669260///672974","Present",NA,NA
+"53514","Sodium;[[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hexadecylphosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669263///NSC672975",NA,"CCCCCCCCCCCCCCCCP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O.[Na+]","MQQDJNIKNMBKON-UHFFFAOYSA-N",54608187,NA,"PDBC53514","669263///672975","Present",NA,NA
+"53515","Sodium;aminomethanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC39851",NA,"C(N)S(=O)(=O)O.[Na+]","UZHDDUOPWFLWPC-UHFFFAOYSA-N",54605180,NA,"PDBC53515","39851","Present",NA,NA
+"53516","Sodium;azane;phosphonatoformate;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627008",NA,"C(=O)([O-])P(=O)([O-])[O-].N.N.[Na+].[Pt+4]","FGQBUMRIPIEZDE-UHFFFAOYSA-K",24202095,NA,"PDBC53516","627008","Present",NA,NA
+"53517","Sodium;bis[4-[5-(diethylamino)pentan-2-ylimino]-6-methoxychromen-2-yl]azanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z,4'Z)-2,2'-(Imino-kappaN)bis{N-[(2RS)-5-(diethylammo...",NA,"CCN(CC)CCCC(C)N=C1C=C(OC2=C1C=C(C=C2)OC)[N-]C3=CC(=NC(C)CCCN(CC)CC)C4=C(O3)C=CC(=C4)OC.[Na+]","UWSCXEBBTLSGBL-UHFFFAOYSA-N",155811289,NA,"PDBC53517","764805","Present",NA,NA
+"53518","Sodium;cyclohexane-1,2-diamine;phosphonatoformate;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627009",NA,"C1CCC(C(C1)N)N.C(=O)([O-])P(=O)([O-])[O-].[Na+].[Pt+4]","XJUDZFRXMGNHGH-UHFFFAOYSA-K",24202096,NA,"PDBC53518","627009","Present",NA,NA
+"53519","Sodium;diethyl 2-[phenyl(sulfanyl)phosphinothioyl]propanedioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634088",NA,"CCOC(=O)C(C(=O)OCC)P(=S)(C1=CC=CC=C1)S.[Na+]","LVRYJICTFFKLDV-UHFFFAOYSA-N",54600714,NA,"PDBC53519","634088","Present",NA,NA
+"53520","Sodium;diethylaminomethoxymethanedithioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC24076",NA,"CCN(CC)COC(=S)S.[Na+]","GCHHSNYXLYHTEA-UHFFFAOYSA-N",54599607,NA,"PDBC53520","24076","Present",NA,NA
+"53521","Sodium;dihydroxy(dioxo)tungsten",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium tungstate dihydrate",NA,"O[W](=O)(=O)O.[Na+]","MSYUQDXYVMXHMZ-UHFFFAOYSA-L",54608119,NA,"PDBC53521","630319","Present",NA,NA
+"53522","Sodium;ethoxy(tridecyl)phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;ethoxy(tridecyl)phosphinic acid",NA,"CCCCCCCCCCCCCP(=O)(O)OCC.[Na+]","ZYDRBKKVQNEWPL-UHFFFAOYSA-N",54608823,NA,"PDBC53522","639415","Present",NA,NA
+"53523","Sodium;ethyl 2-[phenyl(sulfanyl)phosphinothioyl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634090",NA,"CCOC(=O)CP(=S)(C1=CC=CC=C1)S.[Na+]","CCRJFWISOHILEL-UHFFFAOYSA-N",54604824,NA,"PDBC53523","634090","Present",NA,NA
+"53524","Sodium;hydroxy-oxo-phenanthren-9-ylphosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"19-Phenanthrenephosphic acid - sodium salt",NA,"C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)[P+](=O)O.[Na+]","ASIJJUJJGZVCSI-UHFFFAOYSA-O",54611326,NA,"PDBC53524","617340","Present",NA,NA
+"53525","Sodium;methoxy-[(E)-3-phenyl-3-[(2,2,2-trichloroacetyl)amino]prop-1-enyl]phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;methoxy-[(E)-3-phenyl-3-[(2,2,2-trichloroacetyl)amino]prop-1-enyl]phosphinic acid",NA,"COP(=O)(C=CC(C1=CC=CC=C1)NC(=O)C(Cl)(Cl)Cl)O.[Na+]","OFAATAWWRWOBED-USRGLUTNSA-N",54611470,NA,"PDBC53525","705132","Present",NA,NA
+"53526","Sodium;tert-butyl N-[3-[4-(2-diethoxyphosphorylacetyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-5-oxo-2H-pyrrol-2-yl]propyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;tert-butyl N-[3-[4-(2-diethoxyphosphorylacetyl)-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-5-oxo-2H-pyrrol-2-yl]propyl]carbamate",NA,"CCOP(=O)(CC(=O)C1=C(C(N(C1=O)CC2=CC(=C(C=C2)OC)OC)CCCNC(=O)OC(C)(C)C)O)OCC.[Na+]","WCVRROAMUKXGNT-UHFFFAOYSA-N",54708176,NA,"PDBC53526","620621","Present",NA,NA
+"53527","Sodium;tridecane-1-sulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;tridecane-1-sulfonic acid",NA,"CCCCCCCCCCCCCS(=O)(=O)O.[Na+]","CACJZDMMUHMEBN-UHFFFAOYSA-N",22247462,NA,"PDBC53527","639416","Present",NA,NA
+"53528","Sodium;zinc;2-(dithiocarboxyamino)pentanedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium;zinc;2-(dithiocarboxyamino)pentanedioic acid",NA,"C(CC(=O)O)C(C(=O)O)NC(=S)S.[Na+].[Zn+2]","VRVRBTCGPLKNLD-UHFFFAOYSA-N",54601212,NA,"PDBC53528","30897","Present",NA,NA
+"53529","Sodium[(tetratropolonato)bismuthate(III)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sodium[(tetratropolonato)bismuthate(III)]",NA,NA,NA,NA,NA,"PDBC53529","637810","Present",NA,NA
+"53530","Softran",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"buclina",NA,"CC(C)(C)C1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl","BFUBEWDYLSDZEV-UHFFFAOYSA-N",5351720,NA,"PDBC53530","25141","Present",NA,NA
+"53531","Solacongestidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Solacongestidine",NA,"CC1CCC(=NC1)C(C)C2CCC3C2(CCC4C3CCC5C4(CCC(C5)O)C)C","MSKAAWFUKWQOQS-YNAJWQGRSA-N",258526,NA,"PDBC53531","87500","Present",NA,NA
+"53532","Soladulcidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"soladulcidin",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)NC1","XYNPYHXGMWJBLV-MFRNJXNGSA-N",255997,NA,"PDBC53532","82181","Present",NA,NA
+"53533","Solamargine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Solamargine",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1","MBWUSSKCCUMJHO-UHFFFAOYSA-N",437080,NA,"PDBC53533","407810","Present",NA,NA
+"53534","Solanesol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"solanesol",NA,"CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C","AFPLNGZPBSKHHQ-MEGGAXOGSA-N",5477212,NA,"PDBC53534","299938","Present",NA,NA
+"53535","Solanidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"solatubin",NA,"CC1CCC2C(C3C(N2C1)CC4C3(CCC5C4CC=C6C5(CCC(C6)O)C)C)C","JVKYZPBMZPJNAJ-OQFNDJACSA-N",65727,NA,"PDBC53535","76025","Present",NA,NA
+"53536","Solanocapsine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Solanocapsin",NA,"CC1CC2(C(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)N)C)C)C)NC1)O","ZPTJKUUQUDRHTL-QAQRTNARSA-N",73419,NA,"PDBC53536","102622","Present",NA,NA
+"53537","Solantine Orange G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Solantine Orange G",NA,"C1=CC=C(C=C1)N=NC2=CC(=C(C=C2)[N+](=NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)N=[N+](C5=C(C=C(C=C5)N=NC6=CC=CC=C6)S(=O)(=O)O)[O-])S(=O)(=O)O)S(=O)(=O)O)[O-])S(=O)(=O)O.[Na+]","HNXDAYYBTMZSSN-XJUKQBMZSA-N",135534443,NA,"PDBC53537","82395","Present",NA,NA
+"53538","Solasonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Solasonin",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)OC8C(C(C(C(O8)CO)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)NC1","QCTMYNGDIBTNSK-QOYYGLBOSA-N",255983,NA,"PDBC53538","82149","Present",NA,NA
+"53539","Solochrome Black",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chrome black t",NA,"C1=CC=C2C(=C1)C=CC(=C2O)N=NC3=C4C=CC(=CC4=C(C=C3O)S(=O)(=O)O)[N+](=O)[O-].[Na+]","AMMWFYKTZVIRFN-UHFFFAOYSA-N",135422055,NA,"PDBC53539","7223","Present",NA,NA
+"53540","Solvent red 1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC11232///NSC45194",NA,"COC1=CC=CC=C1N=NC2=C(C=CC3=CC=CC=C32)O","ALLOLPOYFRLCCX-UHFFFAOYSA-N",14678,NA,"PDBC53540","11232///45194","Present",NA,NA
+"53541","Solvocillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"solvocillin",NA,"CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN5CCCC5)N(C)C)O.Cl","NAUHPSRFNVHVLD-UHFFFAOYSA-N",54712661,NA,"PDBC53541","50352","Present",NA,NA
+"53542","Solway Green G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ortol green b",NA,"CC1=CC(=C(C=C1)NC2=C3C(=C(C=C2)NC4=C(C=C(C=C4)C)S(=O)(=O)O)C(=O)C5=CC=CC=C5C3=O)S(=O)(=O)O.[Na+]","WSSZILCQNLWJDV-UHFFFAOYSA-N",24181319,NA,"PDBC53542","7795","Present",NA,NA
+"53543","Solway Violet BNA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"solway violet bra",NA,"CC1=CC(=C(C=C1)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=C(C=C(C=C5)C)S(=O)(=O)O)S(=O)(=O)O.[Na+]","SMLSYTGCPNQRLM-UHFFFAOYSA-N",54599421,NA,"PDBC53543","297168","Present",NA,NA
+"53544","Solypertine tartrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"solypertine tartrate(usan)",NA,"COC1=CC=CC=C1N2CCN(CC2)CCC3=CNC4=CC5=C(C=C43)OCO5.C(C(C(=O)O)O)(C(=O)O)O","FDYHSJCNTRLQCR-LREBCSMRSA-N",267773,NA,"PDBC53544","107432","Present",NA,NA
+"53545","Somalin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"somalin",NA,"CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC)O","YBZZSZQZDODUAA-QBHHOFBOSA-N",12310598,NA,"PDBC53545","251698","Present",NA,NA
+"53546","Somcl-12-81",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SOMCL-12-81",NA,"CC(C)S(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Cl)NC3=CC(=CC=C3)NC(=O)CN","BDVGHJLTQZVVPA-UHFFFAOYSA-N",77461036,NA,"PDBC53546","780163","Present",NA,NA
+"53547","Sonolisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC800933",NA,"CC(=O)OC1CC2(C(CCC2=O)C3=C1C4(C(OC(=O)C(=CN(CC=C)CC=C)C4=C(C3=O)O)COC)C)C","QIUASFSNWYMDFS-NILGECQDSA-N",9849735,NA,"PDBC53547","800933","Present",NA,NA
+"53548","Sos1-IN-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC70220",NA,"C1=CC=C(C(=C1)C=CC=C2C3=CC=CC=C3C4=CC=CC=C42)[N+](=O)[O-]","DAVRONXTELQQCO-VQHVLOKHSA-N",6184791,NA,"PDBC53548","70220","Present",NA,NA
+"53549","Sparsomysin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sparsomysin",NA,"CC1=C(C(=O)NC(=O)N1)C=CC(=O)NC(CO)CS(=O)CSC","XKLZIVIOZDNKEQ-RVUDUMFNSA-N",447106,NA,"PDBC53549","59729","Present",NA,NA
+"53550","Specionin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Specionin",NA,"C1C(C(=CC(=O)OC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O)O","WRIXGOHFTHKWMM-MZLJFPOFSA-N",5466955,NA,"PDBC53550","645992","Present",NA,NA
+"53551","Spectabiline (Senecio)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spectabiline",NA,"CC1C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C1(C)OC(=O)C)(C)O","ZVBPCOQJPAOXMI-AGMGMWSQSA-N",259727,NA,"PDBC53551","89934","Present",NA,NA
+"53552","Spectinabilin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NEOAUREOTHIN",NA,"CC1=C(OC(=C(C1=O)C)OC)C2CC(=CC(=CC(=CC(=CC3=CC=C(C=C3)[N+](=O)[O-])C)C)C)CO2","IZICQJAGBLBAMJ-MNOZRKQQSA-N",5352028,NA,"PDBC53552","260179","Present",NA,NA
+"53553","Spectinomycin sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trobicin",NA,"CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.OS(=O)(=O)O","XGBFWQUQYQIFLB-MTTMTQIXSA-N",64771,NA,"PDBC53553","100859","Present",NA,NA
+"53554","Spermidine Nitric Oxide Adduct",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spermidine Nitric Oxide Adduct",NA,"C(CCN(CCCN)[N+](=NO)[O-])CN","CVSGWKUBXQQGOE-ZRDIBKRKSA-N",135510113,NA,"PDBC53554","634218","Present",NA,NA
+"53555","Spermidine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spermidine hydrochloride",NA,"C(CCNCCCN)CN.Cl","WRROLJSGZKCWGR-UHFFFAOYSA-N",16219989,NA,"PDBC53555","528399","Present",NA,NA
+"53556","Spermine Nitric Oxide Adduct",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spermine Nitric Oxide Adduct",NA,"C(CCN(CCCN)[N+](=NO)[O-])CNCCCN","STVYBUMQUAJDER-JQIJEIRASA-N",135503538,NA,"PDBC53556","634217","Present",NA,NA
+"53557","Spermine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spermine hydrochloride",NA,"C(CCNCCCN)CNCCCN.Cl","KBDDIZRDKLGWGW-UHFFFAOYSA-N",5351186,NA,"PDBC53557","69852","Present",NA,NA
+"53558","Spermine(hbbh)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spermine(hbbh)",NA,"CC(C)(C)OC(=O)N(CCCCN(CCCN)C(=O)OC(C)(C)C)CCCN","SXSUKFQJCFUOTC-UHFFFAOYSA-N",389642,NA,"PDBC53558","685984","Present",NA,NA
+"53559","Sphaerophorin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sphaerophorin",NA,"CCCCCCCC1=C(C(=CC(=C1)OC(=O)C2=C(C=C(C=C2C)OC)O)O)C(=O)O","LNAYIVMXSQCRRC-UHFFFAOYSA-N",371611,NA,"PDBC53559","646004","Present",NA,NA
+"53560","Sphaeropsidin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sphaeropsidin A",NA,"CC1(CCCC23C1C(C(=O)C4=CC(CCC42O)(C)C=C)(OC3=O)O)C","FEKFUWWVNCCROX-SQWSIXGCSA-N",51361447,NA,"PDBC53560","765878","Present",NA,NA
+"53561","Sphingosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-erythro-Sphingosine",NA,NA,"CCCCCCCCCCCCCC=CC(C(CO)N)O","WWUZIQQURGPMPG-KRWOKUGFSA-N",5280335,NA,"PDBC53561",NA,"Absent",NA,NA
+"53562","Sphinxolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sphinxolide",NA,"CC1C=CC(CC(C(C2C(C(=CC(=O)O2)C(C(CC(=CC=CC(=O)OC(C(C=CC(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)OC)O)C)OC)OC","GIEXXWAAMFTZSN-GXVIQCKOSA-N",5468563,NA,"PDBC53562","671680","Present",NA,NA
+"53563","Sphinxolide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sphinxolide B",NA,"CC1C=CC(CC(C(C2C(C(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1O)O)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)O)C)OC)OC","AUGBUMLPEBEQNB-MPZVQNBPSA-N",5468560,NA,"PDBC53563","671677","Present",NA,NA
+"53564","Sphinxolide C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sphinxolide C",NA,"CC1C=CC(CC(C(C2C(C(=CC(=O)O2)C(C(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)O)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)OC)O)C)OC)OC","GNVXNFJGHBCESL-GXVIQCKOSA-N",5468561,NA,"PDBC53564","671678","Present",NA,NA
+"53565","Sphinxolide D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sphinxolide D",NA,"CC1C=CC(CC(C(C2C(C(=CC(=O)O2)CC(CC(=CC=CC(=O)OC(C(C=CC(CC1OC)O)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)O)C)OC)OC","FFZDKDJAMUULRL-NRMZHEQMSA-N",5468562,NA,"PDBC53565","671679","Present",NA,NA
+"53566","Spicamycin analog",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"KRN5500",NA,"CCCCCCCCCC=CC=CC(=O)NCC(=O)NC1C(C(C(OC1C(CO)O)NC2=NC=NC3=C2NC=N3)O)O","LQIPDFIUPOYMPR-AQASXUMVSA-N",5459220,NA,"PDBC53566","650426","Present",NA,NA
+"53567","Spicatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spicatin",NA,"CC=C(CO)C(=O)OC1C=C(C2C1C3(CC(C4C2OC(=O)C4=C)OC(=O)C(=CC)COC(=O)C)CO3)C","ARVIDAQMVLXQIX-KGMKFKQSSA-N",5458357,NA,"PDBC53567","165260","Present",NA,NA
+"53568","Spiculisporic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiculisporic acid",NA,"CCCCCCCCCCC(C(=O)O)C1(CCC(=O)O1)C(=O)O","TUXHHVJPGQUPCF-UHFFFAOYSA-N",316426,NA,"PDBC53568","244387","Present",NA,NA
+"53569","Spiro 32",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spirogermanium",NA,"CC[Ge]1(CCC2(CCN(C2)CCCN(C)C)CC1)CC.Cl","FYXUOECINAVYTO-UHFFFAOYSA-N",21872718,NA,"PDBC53569","192965","Present",NA,NA
+"53570","Spiro(1-azabicyclo(2.2.2)octane-3,4'-imidazolidine)-2',5'-dione, 1'-((phenyl(phenylmethyl)amino)methyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-[(N-Benzylanilino)methyl]spiro[1-azabicyclo[2.2.2]octane-3,5'-imidazolidine]-2',4'-dione",NA,"C1CN2CCC1C3(C2)C(=O)N(C(=O)N3)CN(CC4=CC=CC=C4)C5=CC=CC=C5","CHPHBKYGPSWUQY-UHFFFAOYSA-N",339031,NA,"PDBC53570","363935","Present",NA,NA
+"53571","Spiro(2.6)nonane-1,1,2,2-tetracarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4LTV4EUB33",NA,"C1CCCC2(CC1)C(C2(C#N)C#N)(C#N)C#N","OPWBKDAEAXHDSR-UHFFFAOYSA-N",263806,NA,"PDBC53571","98481","Present",NA,NA
+"53572","Spiro(3-cyclopentene-1,5-dione, 3-bromo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro(3-cyclopentene-1,1'-indane)-2,5-dione, 3-bromo-",NA,"C1CC2(C3=CC=CC=C31)C(=O)C=C(C2=O)Br","IQFPNRVCYKVXMC-UHFFFAOYSA-N",360666,NA,"PDBC53572","622984","Present",NA,NA
+"53573","Spiro(3H-benz(f)indazole-3,9'-(9H)xanthene)-4,9-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro(3H-benz(f)indazole-3,9'-(9H)xanthene)-4,9-diol",NA,"C1=CC=C2C(=C1)C(=C3C(=C2O)N=NC34C5=CC=CC=C5OC6=CC=CC=C46)O","YFMCYRZSEQIRKF-UHFFFAOYSA-N",347646,NA,"PDBC53573","406433","Present",NA,NA
+"53574","Spiro(4H-1-benzothiopyran-4,2'(5'H)-furan)-5'-one, 2,3,3',4'-tetrahydro-4'-methylene-, 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro(4H-1-benzothiopyran-4,2'(5'H)-furan)-5'-one, 2,3,3',4'-tetrahydro-4'-methylene-, 1,1-dioxide",NA,"C=C1CC2(CCS(=O)(=O)C3=CC=CC=C32)OC1=O","AHRMDTRMXQLGQT-UHFFFAOYSA-N",323666,NA,"PDBC53574","286121","Present",NA,NA
+"53575","Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4'-dehydro-4'-methylene-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[5H-dibenzo[a,d]cycloheptene-5,2'(3'H)-furan]-5'-on...",NA,"C=C1CC2(C3=CC=CC=C3C=CC4=CC=CC=C42)OC1=O","HTMGHHHTOIMYDF-UHFFFAOYSA-N",179616,NA,"PDBC53575","637828","Present",NA,NA
+"53576","Spiro-1,3-dithia-6-oxa-2-Germacyclooctane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro-1,3-dithia-6-oxa-2-Germacyclooctane",NA,"C1CS[Ge]2(SCCO1)SCCOCCS2","UGNXFKGTAPPRQH-UHFFFAOYSA-N",16683582,NA,"PDBC53576","648326","Present",NA,NA
+"53577","Spiro-1,6-trithia-2-germacyclooctane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro-1,3,6-trithia-2-germacyclooctane",NA,"C1CS[Ge]2(SCCS1)SCCSCCS2","MZTHWFDDFVDGAU-UHFFFAOYSA-N",16683581,NA,"PDBC53577","648325","Present",NA,NA
+"53578","Spiro[1,2,3,8b-tetrahydrobiphenylene-4,2'-1,3-dioxane]-4a-yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro[1,2,3,8b-tetrahydrobiphenylene-4,2'-1,3-dioxane]-4a-yl acetate",NA,"CC(=O)OC12C(CCCC13OCCCO3)C4=CC=CC=C24","GZLDZKSHZPCNSE-UHFFFAOYSA-N",375536,NA,"PDBC53578","655315","Present",NA,NA
+"53579","Spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dione",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC(=O)NN4","PTOJVSYVJLPGNS-UHFFFAOYSA-N",377320,NA,"PDBC53579","658720","Present",NA,NA
+"53580","Spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,2,4-triazinane-6,9'-fluorene]-3,5-dithione",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=S)NC(=S)NN4","BADBNPXFLFYHRK-UHFFFAOYSA-N",3001581,NA,"PDBC53580","658717","Present",NA,NA
+"53581","Spiro[1,2-dihydroindene-3,2'-3a,4,7,7a-tetrahydroindene]-1',3'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,2-dihydroindene-3,2'-3a,4,7,7a-tetrahydroindene]-1',3'-dione",NA,"C1CC2(C3=CC=CC=C31)C(=O)C4CC=CCC4C2=O","UJUMWICRKXFWGH-UHFFFAOYSA-N",360670,NA,"PDBC53581","622988","Present",NA,NA
+"53582","Spiro[1,2-dihydroindene-3,2'-cyclopent-4-ene]-1',3'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,2-dihydroindene-3,2'-cyclopent-4-ene]-1',3'-dione",NA,"C1CC2(C(=O)C=CC2=O)C3=CC=CC=C31","IVBBQCZURZUFPN-UHFFFAOYSA-N",360667,NA,"PDBC53582","622985","Present",NA,NA
+"53583","Spiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[a]naphthalene]-9'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-benz[e]indene-2,2'-[2H]benz[f]inden]-9(1H)-one, 1',3,3',5',6,6',7,7',8,8'-decahydro-",NA,"C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C6=C(CCCC6=O)C=C5)C=C2C1","XSZYLTISRDNVCQ-UHFFFAOYSA-N",384714,NA,"PDBC53583","674950","Present",NA,NA
+"53584","Spiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-benz[f]indene-2,2'(5'H)-[s]indacen]-5'-one, 1,1',3,3',5,6,6',7,7',8-decahydro-",NA,"C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C=C6C(=C5)CCC6=O)C=C2C1","AOXGNWRYOVOECO-UHFFFAOYSA-N",384715,NA,"PDBC53584","674951","Present",NA,NA
+"53585","Spiro[1,3-dihydro-1-benzazepine-4,2'-3,4,5,7-tetrahydropyrano[3,2-d][1]benzazepine]-2,5,6'-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro[1,3-dihydro-1-benzazepine-4,2'-3,4,5,7-tetrahydropyrano[3,2-d][1]benzazepine]-2,5,6'-trione",NA,"C1CC2(CC(=O)NC3=CC=CC=C3C2=O)OC4=C1CC(=O)NC5=CC=CC=C54","VFOYYDABULZAOF-UHFFFAOYSA-N",376187,NA,"PDBC53585","656721","Present",NA,NA
+"53586","Spiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-benz[f]indene-2,2'-[2H]inden]-5(1H)-one, 1',3,3',6,7,8-hexahydro-",NA,"C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4)C=C2C(=O)C1","SONBYSKLYGUMEL-UHFFFAOYSA-N",382728,NA,"PDBC53586","670406","Present",NA,NA
+"53587","Spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylic acid",NA,"C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4)C(=C2C1)C(=O)O","JGELTOFFKHWTBE-UHFFFAOYSA-N",385714,NA,"PDBC53587","677060","Present",NA,NA
+"53588","Spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-1H-as-indacene]-5-carbaldehyde",NA,"C1CC2=C(C1)C3=C(CC4(C3)CC5=C(C4)C=C(C=C5)C=O)C=C2","HVSQZGPCUBWINN-UHFFFAOYSA-N",385720,NA,"PDBC53588","677066","Present",NA,NA
+"53589","Spiro[1,3-dioxolane-2,2'-9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(12),13,15,17-tetraene]-10'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxolane-2,2'-9,19-diazatetracyclo[10.7.0.04,9.013,18]nonadeca-1(12),13,15,17-tetraene]-10'-one",NA,"C1CCN2C(C1)CC3(C4=C(CC2=O)C5=CC=CC=C5N4)OCCO3","GOXSVHWAQFXHEX-UHFFFAOYSA-N",393326,NA,"PDBC53589","694991","Present",NA,NA
+"53590","Spiro[1,3-dioxolane-2,2'-tricyclo[2.2.1.01,4]heptane], 3'-bromo-5',5',6'-trimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxolane-2,2'-tricyclo[2.2.1.01,4]heptane], 3'-bromo-5',5',6'-trimethyl-",NA,"CC1C(C23C1(C2)C4(C3Br)OCCO4)(C)C","GAVFTOXAFOGPIF-UHFFFAOYSA-N",379931,NA,"PDBC53590","665123","Present",NA,NA
+"53591","Spiro[1,3-dioxolane-2,4'-bicyclo[3.1.0]hexane]-6'-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxolane-2,2'-bicyclo[3.1.0]hexane]-6'-ylmethanol",NA,"C1CC2(C3C1C3CO)OCCO2","ZSOVXWXXQXSRNC-UHFFFAOYSA-N",390958,NA,"PDBC53591","689211","Present",NA,NA
+"53592","Spiro[1,3-dithiolane-2,1'(2'H)-naphthalene]-3'-acetonitrile, 3',4'-dihydro-6',8'-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(5',7'-Dimethoxyspiro[1,3-dithiolane-2,4'-2,3-dihydro-1H-naphthalene]-2'-yl)acetonitrile",NA,"COC1=CC2=C(C(=C1)OC)C3(CC(C2)CC#N)SCCS3","DXOMCJGBIFSQPY-UHFFFAOYSA-N",362202,NA,"PDBC53592","625801","Present",NA,NA
+"53593","Spiro[1,3-dithiolane-2,11'-pentacyclo[5.4.0.02,6.03,10.05,9]undecane]-8'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro[1,3-dithiolane-2,[?]-[?]]one",NA,"C1CSC2(S1)C3C4CC5C3C(=O)C6C5C4C26","DKZRKQXWLVZILP-UHFFFAOYSA-N",362203,NA,"PDBC53593","625802","Present",NA,NA
+"53594","Spiro[1,3-dithiolane-2,9'-tricyclo[4.3.0.03,8]nonan]-2'-ol, acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dithiolane-2,9'-tricyclo[4.3.0.03,8]nonane]-2'-yl acetate",NA,"CC(=O)OC1C2CCC3C1C4(C2C3)SCCS4","DREXMYSQNWWJKF-UHFFFAOYSA-N",380728,NA,"PDBC53594","666435","Present",NA,NA
+"53595","Spiro[1,5'[5H]-indene]-2'-one, octahydro-3a'-(2-propynyl)-, mixture with octahydro-3a-(2-propynyl)-2,5-indandione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxalane-2,5'[5H]-indene]-2'-one, octahydro- ...",NA,"C#CCC12CC(=O)CCC1CC(=O)C2.C#CCC12CC(=O)CC1CCC3(C2)OCCO3","NEWCYDKZSQXAPR-OPNNZCENSA-N",359239,NA,"PDBC53595","619948","Present",NA,NA
+"53596","Spiro[1-thia(IV)-2-oxaindan-1,1'-[1]thia(IV)[2]oxa[3H]phenalene]-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1-thia(IV)-2-oxaindan-1,1'-[1]thia(IV)[2]oxa[3H]phenalene]-3-one",NA,"C1C2=CC=CC3=C2C(=CC=C3)S4(O1)C5=CC=CC=C5C(=O)O4","WWAVPNZWXYWIJG-UHFFFAOYSA-N",396655,NA,"PDBC53596","703169","Present",NA,NA
+"53597","Spiro[1H-1,2,4-triazine-6,9'-fluorene]-3,5-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1H-1,2,4-triazine-6,9'-fluorene]-3,5-diamine",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=NC(=NN4)N)N","CFDOVBZFWVYTGX-UHFFFAOYSA-N",377319,NA,"PDBC53597","658719","Present",NA,NA
+"53598","Spiro[1H-benzo[a]cyclopenta[c]biphenylene-1,2'-[1,3]dioxolan]-7b(2H)-ol, 3,3a,11b,11c-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1H-benzo[a]cyclopenta[c]biphenylene-1,2'-[1,3]dioxolan]-7b(2H)-ol, 3,3a,11b,11c-tetrahydro-",NA,"C1CC2(C3C1C4=CC=CC=C4C5(C3C6=CC=CC=C65)O)OCCO2","ZXAGLSDEXKRMRM-UHFFFAOYSA-N",375537,NA,"PDBC53598","655316","Present",NA,NA
+"53599","Spiro[1H-indene-1,3'(1'H)-naphtho[1,2-c]furan]-1'-one, 2,3-dihydro-4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-Methylspiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one",NA,"CC1=C2CCC3(C2=CC=C1)C4=C(C5=CC=CC=C5C=C4)C(=O)O3","HRYZJOKWAXKZTM-UHFFFAOYSA-N",362081,NA,"PDBC53599","625604","Present",NA,NA
+"53600","Spiro[1H-indene-1,3'(1'H)-naphtho[1,2-c]furan]-1'-one, 2,3-dihydro-9'-methoxy-4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9'-Methoxy-7-methylspiro[1,2-dihydroindene-3,3'-benzo[g][2]benzofuran]-1'-one",NA,"CC1=C2CCC3(C2=CC=C1)C4=C(C5=C(C=CC=C5OC)C=C4)C(=O)O3","PNRYXVWKRFIQCX-UHFFFAOYSA-N",362065,NA,"PDBC53600","625587","Present",NA,NA
+"53601","Spiro[2,1,3-benzoxadiazole-5(4H),2'-[1,3]dioxolane], 6,7-dihydro-7,7-dinitro-, 3-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4',4'-Dinitro-1'-oxidospiro[1,3-dioxolane-2,6'-5,7-dihydro-2,1,3-benzoxadiazol-1-ium]",NA,"C1COC2(O1)CC3=[N+](ON=C3C(C2)([N+](=O)[O-])[N+](=O)[O-])[O-]","XHJBNVUHOJYUHQ-UHFFFAOYSA-N",379421,NA,"PDBC53601","663963","Present",NA,NA
+"53602","Spiro[2,1lambda4-benzoxathiole-1,2'-3-oxa-2lambda4-thiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-3,4'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2,1lambda4-benzoxathiole-1,2'-3-oxa-2lambda4-thiatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene]-3,4'-dione",NA,"C1=CC=C2C(=C1)C(=O)OS23C4=CC=CC5=C4C(=CC=C5)C(=O)O3","NMNOUNQLFRNNRR-UHFFFAOYSA-N",397818,NA,"PDBC53602","706393","Present",NA,NA
+"53603","Spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3,6,7,8-tetrahydro-as-indacene]-1'-one",NA,"C1CC2=C(C1)C3=C(CC4(C3=O)CC5=C(C4)C=C6CCCC6=C5)C=C2","XUQDJGNODWVLRM-UHFFFAOYSA-N",382653,NA,"PDBC53603","670301","Present",NA,NA
+"53604","Spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-indane]-5'-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-5-ylmethanol",NA,"C1CC2=CC3=C(CC4(C3)CC5=C(C4)C=C(C=C5)CO)C=C2C1","ZBXMCBFBKYQYGL-UHFFFAOYSA-N",385712,NA,"PDBC53604","677058","Present",NA,NA
+"53605","Spiro[2,3,6,8-tetrahydro-1H-as-indacene-7,2'-3H-indene]-1'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2,3,6,8-tetrahydro-1H-as-indacene-7,2'-3H-indene]-1'-one",NA,"C1CC2=C(C1)C3=C(CC4(C3)CC5=CC=CC=C5C4=O)C=C2","RAOGCCRJLUUWFS-UHFFFAOYSA-N",385660,NA,"PDBC53605","677006","Present",NA,NA
+"53606","Spiro[2,3,6,8-tetrahydro-as-indacene-7,2'-indane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1',3,3',6,7-hexahydro-8H-spiro[as-indacene-2,2'-inden]-8-one",NA,"C1CC(=O)C2=C1C=CC3=C2CC4(C3)CC5=CC=CC=C5C4","VIYSOHHDMOPNTG-UHFFFAOYSA-N",382727,NA,"PDBC53606","670405","Present",NA,NA
+"53607","Spiro[2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrole-3,1'-cyclohexane]-1-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro[2,4,5,6,7,8-hexahydrocyclohepta[c]pyrrole-3,1'-cyclohexane]-1-one",NA,"C1CCC2=C(CC1)C3(CCCCC3)NC2=O","YHSCJMJPPQZFKH-UHFFFAOYSA-N",363348,NA,"PDBC53607","628204","Present",NA,NA
+"53608","Spiro[2,5,6,7,8,8a-hexahydrocyclohepta[c]pyrrole-1,1'-cyclohexane]-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro[2,5,6,7,8,8a-hexahydrocyclohepta[c]pyrrole-1,1'-cyclohexane]-3-one",NA,"C1CCC2(CC1)C3CCCCC=C3C(=O)N2","KBTYFEODFOAIPQ-UHFFFAOYSA-N",363346,NA,"PDBC53608","628202","Present",NA,NA
+"53609","Spiro[2,6,9,9a-tetrahydro-1H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-3,4,8-trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2,6,9,9a-tetrahydro-1H-[1,2,4]triazino[4,3-b][1,2,4]triazine-7,9'-fluorene]-3,4,8-trione",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C(=O)NC5NNC(=O)C(=O)N5N4","FICZWHRZQXPBFS-UHFFFAOYSA-N",380556,NA,"PDBC53609","666169","Present",NA,NA
+"53610","Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-(2-phenylethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-(2-phenylethyl)-",NA,"C1CN(CCC12NC(=O)C3=CC=CC=C3O2)CCC4=CC=CC=C4","LISGHDLHSHXDSN-UHFFFAOYSA-N",379979,NA,"PDBC53610","665286","Present",NA,NA
+"53611","Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-(2-propenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-(2-propenyl)-",NA,"C=CCN1CCC2(CC1)NC(=O)C3=CC=CC=C3O2","XEXOGMOPZTVUDM-UHFFFAOYSA-N",379976,NA,"PDBC53611","665283","Present",NA,NA
+"53612","Spiro[2H-1,3-benzoxazine-2,4'-piperidin]-4(3H)-one, 1'-[3-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]propyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-[3-[2-(4-Fluorophenyl)-1,3-dioxolan-2-yl]propyl]spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one",NA,"C1CN(CCC12NC(=O)C3=CC=CC=C3O2)CCCC4(OCCO4)C5=CC=C(C=C5)F","DFADTMUJPQOACZ-UHFFFAOYSA-N",379986,NA,"PDBC53612","665291","Present",NA,NA
+"53613","Spiro[2H-1-benzopyran-2,2'-[2H]indol]-6-ol, 1',3'-dihydro-1',3',3'-trimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-1-benzopyran-2,2'-indolin]-6-ol, 1',3',3'-trime...",NA,"CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)O)C)C","UHRBDHPBCHWWAG-UHFFFAOYSA-N",90866,NA,"PDBC53613","270086","Present",NA,NA
+"53614","Spiro[2H-1-benzopyran-3(4H),4'(1'H)-isoquinolin]-4-one, 2',3'-dihydro-2'-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Methylspiro[1,3-dihydroisoquinoline-4,3'-2H-chromene]-4'-one",NA,"CN1CC2=CC=CC=C2C3(C1)COC4=CC=CC=C4C3=O","DSERXCVQUPWLBX-UHFFFAOYSA-N",362812,NA,"PDBC53614","627126","Present",NA,NA
+"53615","Spiro[2H-benz[e]indene-2,2'-[2H]benz[f]indene]-1,1'(3'H,3H)-dione, 5',6,6',7,7',8,8',9-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene-2,2'-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene]-1',3-dione",NA,"C1CCC2=C(C1)C=CC3=C2C(=O)C4(C3)CC5=C(C4=O)C=C6CCCCC6=C5","VQDPGHIGSDHGJY-UHFFFAOYSA-N",382776,NA,"PDBC53615","670454","Present",NA,NA
+"53616","Spiro[2H-benz[e]indene-2,2'-[2H]benz[f]indene]-5',9(1'H,1H)-dione, 3,3',6,6',7,7',8,8'-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[3,6,7,8-tetrahydro-1H-cyclopenta[a]naphthalene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[g]naphthalene]-5',9-dione",NA,"C1CC2=C(C(=O)C1)C3=C(CC4(C3)CC5=C(C4)C=C6C(=C5)CCCC6=O)C=C2","TZRYGLPJFSJEOS-UHFFFAOYSA-N",382635,NA,"PDBC53616","670284","Present",NA,NA
+"53617","Spiro[2H-benz[e]indene-2,2'-[2H]inden]-1(3H)-one, 1',3',6,7,8,9-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-benz[e]indene-2,2'-[2H]inden]-1(3H)-one, 1',3',6,7,8,9-hexahydro-",NA,"C1CCC2=C(C1)C=CC3=C2C(=O)C4(C3)CC5=CC=CC=C5C4","NOSWRHVFVLJEKO-UHFFFAOYSA-N",382654,NA,"PDBC53617","670302","Present",NA,NA
+"53618","Spiro[2H-benz[e]indene-2,2'-[2H]inden]-9(1H)-one, 1',3,3',6,7,8-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-benz[e]indene-2,2'-[2H]inden]-9(1H)-one, 1',3,3',6,7,8-hexahydro-",NA,"C1CC2=C(C(=O)C1)C3=C(CC4(C3)CC5=CC=CC=C5C4)C=C2","HUSPSXFJPYVDBW-UHFFFAOYSA-N",382729,NA,"PDBC53618","670407","Present",NA,NA
+"53619","Spiro[2H-benz[e]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',6,7,8,9-octahydro-g,6-dioxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 4-oxo-4-(6'-oxospiro[1,3-dihydroindene-2,2'-3,7,8,9-tetrahydro-1H-cyclopenta[a]naphthalene]-5-yl)butanoate",NA,"COC(=O)CCC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C5=C(C=C4)C(=O)CCC5)C=C1","XWFALCLNUQKGLQ-UHFFFAOYSA-N",382732,NA,"PDBC53619","670410","Present",NA,NA
+"53620","Spiro[2H-benz[e]indene-2,2'-[2H]indene]-5'-carboxylic acid, 5-ethyl-1,1',3,3',6,7,8,9-octahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-ethylspiro[1,3,6,7,8,9-hexahydrocyclopenta[a]naphthalene-2,2'-1,3-dihydroindene]-5'-carboxylate",NA,"CCC1=C2CCCCC2=C3CC4(CC5=C(C4)C=C(C=C5)C(=O)OC)CC3=C1","PPZMRZDTOWEHON-UHFFFAOYSA-N",384726,NA,"PDBC53620","674962","Present",NA,NA
+"53621","Spiro[2H-benz[e]indene-2,2'-[2H]indene]-5'-carboxylic acid, 5-ethyl-1,1',3,3',6,7,8,9-octahydro-9-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5'-ethyl-9'-oxospiro[1,3-dihydroindene-2,2'-3,6,7,8-tetrahydro-1H-cyclopenta[a]naphthalene]-5-carboxylate",NA,"CCC1=C2CCCC(=O)C2=C3CC4(CC5=C(C4)C=C(C=C5)C(=O)OC)CC3=C1","NQUYVMQFSNLBQJ-UHFFFAOYSA-N",382636,NA,"PDBC53621","670285","Present",NA,NA
+"53622","Spiro[2H-benz[f]indene-2,2'-[2H]indene]-4,5'-dicarboxylic acid, 1,1',3,3',5,6,7,8-octahydro-, dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dimethyl spiro[1,3,5,6,7,8-hexahydrocyclopenta[b]naphthalene-2,2'-1,3-dihydroindene]-4,5'-dicarboxylate",NA,"COC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C(=C5CCCCC5=C4)C(=O)OC)C=C1","KADAXGCJTHRJPA-UHFFFAOYSA-N",385718,NA,"PDBC53622","677064","Present",NA,NA
+"53623","Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-",NA,"C1CCC2=CC3=C(CC4(C3)CC5=C(C4)C=C(C=C5)CCCC(=O)O)C=C2C1","UBAIIKBHNNYSPV-UHFFFAOYSA-N",382733,NA,"PDBC53623","670411","Present",NA,NA
+"53624","Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-benz[f]indene-2,2'-[2H]indene]-5'-butanoic acid, 1,1',3,3',5,6,7,8-octahydro-, methyl ester",NA,"COC(=O)CCCC1=CC2=C(CC3(C2)CC4=C(C3)C=C5CCCCC5=C4)C=C1","YUPXUMMFBQPHHU-UHFFFAOYSA-N",382734,NA,"PDBC53624","670412","Present",NA,NA
+"53625","Spiro[2H-indene-2,2'-[2H]thiopyran]-1,3-dione, 3',6'-dihydro-4',5'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-indene-2,2'-[2H]thiopyran]-1,3-dione, 3',6'-dihydro-4',5'-dimethyl-",NA,"CC1=C(CSC2(C1)C(=O)C3=CC=CC=C3C2=O)C","NDPGKUQPOWJVQD-UHFFFAOYSA-N",363743,NA,"PDBC53625","628934","Present",NA,NA
+"53626","Spiro[2H-pyrrole-2,4'(1'H)-quinoline]-2',3(3'H,4H)-dione, 1'-acetyl-5-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-Acetyl-2-methylspiro[3H-pyrrole-5,4'-3H-quinoline]-2',4-dione",NA,"CC1=NC2(CC(=O)N(C3=CC=CC=C32)C(=O)C)C(=O)C1","VABOBLRKHNFOCR-UHFFFAOYSA-N",379464,NA,"PDBC53626","664017","Present",NA,NA
+"53627","Spiro[2a,3-b]oxirene-2-(1aH),2'-naphtho[1,8-de][1,3]dioxin]-3,8(9H,9aH)-dione, 9-hydroxy-, stereoisomer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2a,8a-epoxyanthra[2,3-b]oxirene- 2-(1aH),2'-naphth...",NA,"C1=CC=C2C(=C1)C(=O)C34C(C5C(O5)C6(C3(C2=O)O4)OC7=CC=CC8=C7C(=CC=C8)O6)O","DPEPLNNDWXFYPW-IDINPZAYSA-N",388424,NA,"PDBC53627","683332","Present",NA,NA
+"53628","Spiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3,6,7,8-tetrahydro-as-indacene]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[as-indacene-2(1H),2'(1'H)-[s]indacene]-1,1'-dione, 3,3',5',6,6',7,7',8-octahydro-",NA,"C1CC2=C(C1)C3=C(CC4(C3=O)CC5=C(C4=O)C=C6CCCC6=C5)C=C2","XOQVOUQVMTUIMN-UHFFFAOYSA-N",382773,NA,"PDBC53628","670451","Present",NA,NA
+"53629","Spiro[3,5,6,7-tetrahydro-s-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[3,5,6,7-tetrahydro-s-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione",NA,"C1CCC2=CC3=C(CC4(C3=O)CC5=C(C4=O)C=C6CCCC6=C5)C=C2C1","PHWUFKHFRXEWRQ-UHFFFAOYSA-N",382774,NA,"PDBC53629","670452","Present",NA,NA
+"53630","Spiro[3,6,7,8-tetrahydro-1H-as-indacene-2,2'-indane]-1-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[as-indacene-2(1H),2'-[2H]inden]-1-ol, 1',3,3',6,7,8-hexahydro-",NA,"C1CC2=C(C1)C3=C(CC4(C3O)CC5=CC=CC=C5C4)C=C2","SQZAFKPXESPMNT-UHFFFAOYSA-N",385661,NA,"PDBC53630","677007","Present",NA,NA
+"53631","Spiro[3,6,7,8-tetrahydro-as-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[3,6,7,8-tetrahydro-as-indacene-2,2'-5,6,7,8-tetrahydro-1H-cyclopenta[b]naphthalene]-1,3'-dione",NA,"C1CCC2=CC3=C(CC4(C3=O)CC5=C(C4=O)C6=C(CCC6)C=C5)C=C2C1","ZHIALTHOBMPSQK-UHFFFAOYSA-N",382775,NA,"PDBC53631","670453","Present",NA,NA
+"53632","Spiro[3.3]heptane-2,6-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fecht's acid",NA,"C1C(CC12CC(C2)C(=O)O)C(=O)O","JQZAKMJZYGPUFD-UHFFFAOYSA-N",240836,NA,"PDBC53632","47621","Present",NA,NA
+"53633","Spiro[3H-2,1-benzoxathiole-3,9'-[9H]fluorene], 1-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[3H-2,1-benzoxathiole-3,9'-[9H]fluorene], 1-oxide",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C24C5=CC=CC=C5S(=O)O4","ZGXFNWWJABTEQP-UHFFFAOYSA-N",363703,NA,"PDBC53633","628825","Present",NA,NA
+"53634","Spiro[3H-2-benzopyran-3,1'-cyclohexan]-1(4H)-one, 5,6,7,8-tetrahydro-4-methylene-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[3H-2-benzopyran-3,1'-cyclohexan]-1(4H)-one, 5,6,7,8-tetrahydro-4-methylene-",NA,"C=C1C2=C(CCCC2)C(=O)OC13CCCCC3","UDVPJDXTYDXRCU-UHFFFAOYSA-N",372861,NA,"PDBC53634","648551","Present",NA,NA
+"53635","Spiro[3H-cyclopenta[a]naphthalene-2,2'-indane]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2H-benz[e]indene-2,2'-[2H]indene]-1,1'(3'H,3H)-dione",NA,"C1C2=C(C3=CC=CC=C3C=C2)C(=O)C14CC5=CC=CC=C5C4=O","FVXKPFUNFTXVFP-UHFFFAOYSA-N",393831,NA,"PDBC53635","696652","Present",NA,NA
+"53636","Spiro[3H-indene-2,2'-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene]-1,1'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[3H-indene-2,2'-6,7,8,9-tetrahydro-3H-cyclopenta[a]naphthalene]-1,1'-dione",NA,"C1CCC2=C(C1)C=CC3=C2C(=O)C4(C3)CC5=CC=CC=C5C4=O","HJEQLZWLQIVQKC-UHFFFAOYSA-N",384719,NA,"PDBC53636","674955","Present",NA,NA
+"53637","Spiro[3H-indole-3,2'-oxiran]-2(1H)-one, 5,7-dichloro-3'-(4-chlorobenzoyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,7-Dichloro-3'-(4-chlorobenzoyl)spiro[1H-indole-3,2'-oxirane]-2-one",NA,"C1=CC(=CC=C1C(=O)C2C3(O2)C4=C(C(=CC(=C4)Cl)Cl)NC3=O)Cl","PDLFTPBJXAKBQW-UHFFFAOYSA-N",366689,NA,"PDBC53637","635406","Present",NA,NA
+"53638","Spiro[3H-indole-3,3'-pyrrolidine]-2'-carboxylic acid, 1,1'-diacetyl-1,2-dihydro-2-(4-hydroxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-Diacetyl-2-(4-hydroxyphenyl)spiro[2H-indole-3,3'-pyrrolidine]-2'-carboxylic acid",NA,"CC(=O)N1CCC2(C1C(=O)O)C(N(C3=CC=CC=C23)C(=O)C)C4=CC=C(C=C4)O","VAKSZXZIYLNMIF-UHFFFAOYSA-N",363407,NA,"PDBC53638","628311","Present",NA,NA
+"53639","Spiro[3H-indole-3,3'-pyrrolidine]-2'-carboxylic acid, 1-acetyl-2-(3,4-dimethoxyphenyl)-1,2-dihydro-1'-[(4-methylphenyl)sulfonyl]-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 1-acetyl-2-(3,4-dimethoxyphenyl)-1'-(4-methylphenyl)sulfonylspiro[2H-indole-3,3'-pyrrolidine]-2'-carboxylate",NA,"CCOC(=O)C1C2(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C(N(C4=CC=CC=C24)C(=O)C)C5=CC(=C(C=C5)OC)OC","GSHDLPCUYRQXTP-UHFFFAOYSA-N",363201,NA,"PDBC53639","627876","Present",NA,NA
+"53640","Spiro[3H-indole-3,3'-pyrrolidine]-2'-carboxylic acid, 2-(3,4-dimethoxyphenyl)-1'-[(4-methylphenyl)sulfonyl]-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(3,4-dimethoxyphenyl)-1'-(4-methylphenyl)sulfonylspiro[indole-3,3'-pyrrolidine]-2'-carboxylate",NA,"CCOC(=O)C1C2(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C4=CC=CC=C4N=C2C5=CC(=C(C=C5)OC)OC","NIRTZTFLVHKVFU-UHFFFAOYSA-N",363195,NA,"PDBC53640","627869","Present",NA,NA
+"53641","Spiro[3H-indole-3,3'-pyrrolidine]-2'-carboxylic acid, 2-(3,4-dimethoxyphenyl)-1,2-dihydro-1'-[(4-methylphenyl)sulfonyl]-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(3,4-dimethoxyphenyl)-1'-(4-methylphenyl)sulfonylspiro[1,2-dihydroindole-3,3'-pyrrolidine]-2'-carboxylate",NA,"CCOC(=O)C1C2(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C(NC4=CC=CC=C24)C5=CC(=C(C=C5)OC)OC","OJWKRUIGQHVMGJ-UHFFFAOYSA-N",363196,NA,"PDBC53641","627871","Present",NA,NA
+"53642","Spiro[3H-indole-3,3'-pyrrolidine]-2'-carboxylic acid, octahydro-2-(4-methoxyphenyl)-1'-[(4-methylphenyl)sulfonyl]-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-(4-methoxyphenyl)-1'-(4-methylphenyl)sulfonylspiro[1,2,3a,4,5,6,7,7a-octahydroindole-3,3'-pyrrolidine]-2'-carboxylate",NA,"CCOC(=O)C1C2(CCN1S(=O)(=O)C3=CC=C(C=C3)C)C4CCCCC4NC2C5=CC=C(C=C5)OC","UTYSKBIQSLYWDP-UHFFFAOYSA-N",363198,NA,"PDBC53642","627873","Present",NA,NA
+"53643","Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-",NA,"CC(=O)N1CCC2(CC1)C=NC3=CC=CC=C23","FBLRWVCSDVNPNN-UHFFFAOYSA-N",370424,NA,"PDBC53643","643520","Present",NA,NA
+"53644","Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-5-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[3H-indole-3,4'-piperidine], 1'-acetyl-5-methoxy-",NA,"CC(=O)N1CCC2(CC1)C=NC3=C2C=C(C=C3)OC","FKXCSENTEIKSBX-UHFFFAOYSA-N",370419,NA,"PDBC53644","643517","Present",NA,NA
+"53645","Spiro[3H-indole-3,5'(4'H)-isoxazol]-2(1H)-one, 3'-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Methylspiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one",NA,"CC1=NOC2(C1)C3=CC=CC=C3NC2=O","LNIJOLZBHHLEMQ-UHFFFAOYSA-N",380253,NA,"PDBC53645","665733","Present",NA,NA
+"53646","Spiro[3H-indole-3,9'(6'H)-pyrido[1,2-a]indol]-6'-one, 7',8',9'a,10'-tetrahydro-2-methyl-7',8'-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-Methyl-7,8-diphenylspiro[7,8,9a,10-tetrahydropyrido[1,2-a]indole-9,3'-indole]-6-one",NA,"CC1=NC2=CC=CC=C2C13C4CC5=CC=CC=C5N4C(=O)C(C3C6=CC=CC=C6)C7=CC=CC=C7","WJHNIFZIDBAKTM-UHFFFAOYSA-N",365635,NA,"PDBC53646","633489","Present",NA,NA
+"53647","Spiro[4H-cyclopenta[2,1-b:3,4-b']dithiophene-4,2'-[1,3]dioxolane]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro[1,3-dioxolane-2,5'-[?]]",NA,"C1COC2(O1)C3=C(C4=C2C=CS4)SC=C3","BCGOAEVQIBPZCC-UHFFFAOYSA-N",386260,NA,"PDBC53647","678003","Present",NA,NA
+"53648","Spiro[4H-pyran-4,7'-[7H]pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepine], 2,3,5,5',6,6'-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2,8,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene-7,4'-oxane]",NA,"C1COCCC12C3=CC=CN3C4=C(NN2)N=CC=C4","XYKFJFARXUYTRX-UHFFFAOYSA-N",374130,NA,"PDBC53648","651557","Present",NA,NA
+"53649","Spiro[5.5]undecane-3-carboxamide,4-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[5.5]undecane-3-carboxamide, N-[(4-methylphenyl)sul...",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2C(=O)CC3(CCCCC3)CC2=O","IAIUMVPEFJQUIS-UHFFFAOYSA-N",328866,NA,"PDBC53649","309741","Present",NA,NA
+"53650","Spiro[5.7]tridec-1-ene-3,7-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[5.7]tridec-1-ene-3,7-dione",NA,"C1CCCC2(CCC(=O)C=C2)C(=O)CC1","SKHCRRFXVHLTOB-UHFFFAOYSA-N",363768,NA,"PDBC53650","628975","Present",NA,NA
+"53651","Spiro[5H-benzo[3,4]cyclobuta[1,2]cycloheptene-5,2'-[1,3]dioxan]-4b(6H)-ol, 7,8,9,9a-tetrahydro-1,4-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3',6'-Dimethylspiro[1,3-dioxane-2,13'-tricyclo[6.5.0.02,7]trideca-2,4,6-triene]-1'-ol",NA,"CC1=C2C3CCCCC4(C3(C2=C(C=C1)C)O)OCCCO4","YJXLJEXIOFQKCP-UHFFFAOYSA-N",375532,NA,"PDBC53651","655311","Present",NA,NA
+"53652","Spiro[5H-benzo[3,4]cyclobuta[1,2]cycloheptene-5,2'-[1,3]dioxan]-4b(6H)-ol, 7,8,9,9a-tetrahydro-9a-(4-morpholinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"morpholinospiro[1,3-dioxane-2,[?]-[?]]ol",NA,"C1CCC2(C3(C4=CC=CC=C4C3(C1)N5CCOCC5)O)OCCCO2","VAOWMWKFKFODLA-UHFFFAOYSA-N",375518,NA,"PDBC53652","655297","Present",NA,NA
+"53653","Spiro[5H-furo[3,2-b]naphtho[2,3-d]pyran-5,2'-[2H]pyran]-2,6,11(3H)-trione, 3',3a,4',5',6',11b-hexahydro-6'-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Methylspiro[12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3,5,7-tetraene-17,2'-oxane]-2,9,13-trione",NA,"CC1CCCC2(O1)C3=C(C4C(O2)CC(=O)O4)C(=O)C5=CC=CC=C5C3=O","OEUYGKAVYFGZFF-UHFFFAOYSA-N",369540,NA,"PDBC53653","641401","Present",NA,NA
+"53654","Spiro[5H-phenophosphazinine-10,10'-phenophosphazinine]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[5H-phenophosphazinine-10,10'-phenophosphazinine]",NA,"C1=CC=C2C(=C1)NC3=CC=CC=C3P24=C5C=CC=CC5=NC6=CC=CC=C46","LTMWXVYDOFUDBN-UHFFFAOYSA-N",380780,NA,"PDBC53654","666490","Present",NA,NA
+"53655","Spiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]-2',5'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[6,7-dihydro-5H-1-benzothiophene-4,3'-pyrrolidine]-2',5'-dione",NA,"C1CC2=C(C=CS2)C3(C1)CC(=O)NC3=O","GJVMOEJAMBYWQV-UHFFFAOYSA-N",353843,NA,"PDBC53655","603101","Present",NA,NA
+"53656","Spiro[7H-benzo[3,4]cyclobuta[1,2]cycloheptene-7,2'-[1,3]dioxolan]-4b(8H)-ol, 9,9a-dihydro-4-(2-methyl-1,3-dioxolan-2-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-(2-Methyl-1,3-dioxolan-2-yl)spiro[1,3-dioxolane-2,11'-tricyclo[6.5.0.02,7]trideca-2(7),3,5,12-tetraene]-1'-ol",NA,"CC1(OCCO1)C2=CC=CC3=C2C4(C3CCC5(C=C4)OCCO5)O","IGRXYKWVMNRJMH-UHFFFAOYSA-N",375535,NA,"PDBC53656","655314","Present",NA,NA
+"53657","Spiro[7H-pyrido[2,3-c]pyrrolo[1,2-e][1,2,5]triazepine-7,3'(2'H)-thiophene], 4',5,5',6-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2,8,9,11-tetrazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene-7,3'-thiolane]",NA,"C1CSCC12C3=CC=CN3C4=C(NN2)N=CC=C4","RKGLORGXPXVVIZ-UHFFFAOYSA-N",374602,NA,"PDBC53657","652569","Present",NA,NA
+"53658","Spiro[9H-fluorene-9,6'(5'H)-[1,2,4]triazin]-5'-one, 3'-(5,6-dihydro-3-methyl-5-oxo-1,2,4-triazin-2(1H)-yl)-1',4'-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[9H-fluorene-9,6'(5'H)-[1,2,4]triazin]-5'-one, 3'-(5,6-dihydro-3-methyl-5-oxo-1,2,4-triazin-2(1H)-yl)-1',4'-dihydro-",NA,"CC1=NC(=O)CNN1C2=NNC3(C4=CC=CC=C4C5=CC=CC=C53)C(=O)N2","CWIUBDFVTWSGJU-UHFFFAOYSA-N",135409201,NA,"PDBC53658","666166","Present",NA,NA
+"53659","Spiro[9H-fluorene-9,6'(7'H)-[5H]thiazolo[3,2-b][1,2,4]triazin]-3'(2'H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[5,7-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazine-6,9'-fluorene]-3-one",NA,"C1C(=O)N2C(=NCC3(N2)C4=CC=CC=C4C5=CC=CC=C35)S1","SFCYWECUCVNOBM-UHFFFAOYSA-N",377324,NA,"PDBC53659","658724","Present",NA,NA
+"53660","Spiro[9H-fluorene-9,7'(8'H)-[2H,6H][1,2,4]triazino[3,2-b][1,3,5]thiadiazin]-8'-one, 4'-(1,1-dimethylethyl)-2'-thioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Tert-butyl-2-sulfanylidenespiro[6H-[1,2,4]triazino[3,2-b][1,3,5]thiadiazine-7,9'-fluorene]-8-one",NA,"CC(C)(C)C1=NC(=S)SC2=NC(=O)C3(C4=CC=CC=C4C5=CC=CC=C53)NN12","HHKGMKZRPJIIPK-UHFFFAOYSA-N",377329,NA,"PDBC53660","658730","Present",NA,NA
+"53661","Spiro[9bH--1,2benzoxaphospholo[2,3-d]-1,3,4-oxazaphosphole-4,2'-[1,3,2]dioxaphospholan]-2(3H)-one, 4',4',5',5'-tetramethyl-9b-(trifluoromethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4,5,5-Tetramethyl-2'-(trifluoromethyl)spiro[1,3-dioxa-2lambda5-phosphacyclopentane-2,6'-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene]-4'-one",NA,"CC1(C(OP23(O1)C(C4=CC=CC=C4O2)(OC(=O)N3)C(F)(F)F)(C)C)C","BUFOWDAGBMNHFW-UHFFFAOYSA-N",375824,NA,"PDBC53661","656072","Present",NA,NA
+"53662","Spiro[9bH--1,2benzoxaphospholo[2,3-d]-1,3,4-oxazaphosphole-4,2'-[1,3,2]dioxaphospholan]-2(3H)-one, 9b-(trifluoromethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2'-(Trifluoromethyl)spiro[1,3-dioxa-2lambda5-phosphacyclopentane-2,6'-3,7-dioxa-5-aza-6lambda5-phosphatricyclo[6.4.0.02,6]dodeca-1(12),8,10-triene]-4'-one",NA,"C1COP23(O1)C(C4=CC=CC=C4O2)(OC(=O)N3)C(F)(F)F","KJYDZWMXRATYNO-UHFFFAOYSA-N",375823,NA,"PDBC53662","656071","Present",NA,NA
+"53663","Spiro[as-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',6,7,8-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[as-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',6,7,8-hexahydro-",NA,"C1CC2=C(C1)C3=C(CC4(C3=O)CC5=CC=CC=C5C4)C=C2","JURNTNOECPNKDO-UHFFFAOYSA-N",382650,NA,"PDBC53663","670298","Present",NA,NA
+"53664","Spiro[as-indacene-2(8H),2'-[2H]inden]-8-one, 5-ethyl-1,1',3,3',6,7-hexahydro-5'-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Ethyl-5-methylspiro[1,3-dihydroindene-2,7'-2,3,6,8-tetrahydro-as-indacene]-1'-one",NA,"CCC1=C2CCC(=O)C2=C3CC4(CC5=C(C4)C=C(C=C5)C)CC3=C1","VJQTVZXAZKJTFN-UHFFFAOYSA-N",382735,NA,"PDBC53664","670413","Present",NA,NA
+"53665","Spiro[benzo[3,4]cyclobuta[1,2]cyclododecene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,11,12,13,14,14a-decahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxane-2,2'-tricyclo[10.6.0.013,18]octadeca-13,15,17-triene]-1'-ol",NA,"C1CCCCC2C3=CC=CC=C3C2(C4(CCCC1)OCCCO4)O","KVLBPWUWERSWBG-UHFFFAOYSA-N",375540,NA,"PDBC53665","655319","Present",NA,NA
+"53666","Spiro[benzo[3,4]cyclobuta[1,2]cyclododecene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,11,12,13,14,14a-decahydro-4-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17'-Methoxyspiro[1,3-dioxane-2,2'-tricyclo[10.6.0.013,18]octadeca-13(18),14,16-triene]-1'-ol",NA,"COC1=CC=CC2=C1C3(C2CCCCCCCCCC34OCCCO4)O","LDXHOTCDKPRQCD-UHFFFAOYSA-N",375531,NA,"PDBC53666","655310","Present",NA,NA
+"53667","Spiro[benzo[3,4]cyclobuta[1,2]cyclododecene-5(4bH),2'-[1,3]dioxolan]-4b-ol, 6,7,8,9,10,11,12,13,14,14a-decahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxolane-2,2'-tricyclo[10.6.0.013,18]octadeca-13,15,17-triene]-1'-ol",NA,"C1CCCCC2C3=CC=CC=C3C2(C4(CCCC1)OCCO4)O","JIKKDOWIZOYPTG-UHFFFAOYSA-N",375530,NA,"PDBC53667","655309","Present",NA,NA
+"53668","Spiro[benzo[3,4]cyclobuta[1,2]cyclooctene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,10a-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxane-2,14'-tricyclo[6.6.0.02,7]tetradeca-2,4,6-triene]-1'-ol",NA,"C1CCC2C3=CC=CC=C3C2(C4(CC1)OCCCO4)O","HOXZFISOUGSOHF-UHFFFAOYSA-N",375527,NA,"PDBC53668","655306","Present",NA,NA
+"53669","Spiro[benzo[3,4]cyclobuta[1,2]cyclooctene-5(4bH),2'-[1,3]dioxan]-4b-ol, 6,7,8,9,10,10a-hexahydro-, acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro[1,3-dioxane-2,[?]-[?]]yl acetate",NA,"CC(=O)OC12C(CCCCCC13OCCCO3)C4=CC=CC=C24","MLMNSGWQZQFPCN-UHFFFAOYSA-N",375528,NA,"PDBC53669","655307","Present",NA,NA
+"53670","Spiro[benzocyclodecene-6(5H),2'-[1,3]dioxolan]-5-ol, 7,8,9,10,11,12-hexahydro-, acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxolane-2,6'-7,8,9,10,11,12-hexahydro-5H-benzo[10]annulene]-5'-yl acetate",NA,"CC(=O)OC1C2=CC=CC=C2CCCCCCC13OCCO3","HTJROLSDJLQUBI-UHFFFAOYSA-N",375522,NA,"PDBC53670","655301","Present",NA,NA
+"53671","Spiro[benzocyclotetradecene-6(5H),2'-[1,3]dioxan]-5-one, 7,8,9,10,11,12,13,14,15,16-decahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dioxane-2,3'-bicyclo[12.4.0]octadeca-1(18),14,16-triene]-2'-one",NA,"C1CCCCCC2(C(=O)C3=CC=CC=C3CCCC1)OCCCO2","SZNNLWNSCAGPKJ-UHFFFAOYSA-N",375519,NA,"PDBC53671","655298","Present",NA,NA
+"53672","Spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxan]-2'-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[bicyclo[2.2.1]hept-5-ene-2,5'-[1,3]dioxan]-2'-one",NA,"C1C2CC3(C1C=C2)COC(=O)OC3","HBXYDGAJYSCVRY-UHFFFAOYSA-N",380688,NA,"PDBC53672","666391","Present",NA,NA
+"53673","Spiro[bicyclo[2.2.1]heptane-2,2'(4'H)-isoxazolo[2,3-a]indole]-3,4'-dione, 3',3'a-dihydro-3'a-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3a-Phenylspiro[3H-[1,2]oxazolo[2,3-a]indole-2,3'-bicyclo[2.2.1]heptane]-2',4-dione",NA,"C1CC2CC1C(=O)C23CC4(C(=O)C5=CC=CC=C5N4O3)C6=CC=CC=C6","BPLOZJUEXDCQPQ-UHFFFAOYSA-N",374520,NA,"PDBC53673","652271","Present",NA,NA
+"53674","Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]-6-carboxylic acid, 2-hydroxyethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]-6-carboxylic acid, 2-hydroxyethyl ester",NA,"C1COC2(O1)CC3CC(C2C3)C(=O)OCCO","PQINUOGIUKZNDO-UHFFFAOYSA-N",361991,NA,"PDBC53674","625470","Present",NA,NA
+"53675","Spiro[bicyclo[3.1.1]heptane-2,2'(3'H)-thiophene], 4',4',5',5'-tetrafluorodihydro-6,6-bis(trifluoromethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',2',3',3'-Tetrafluoro-6,6-bis(trifluoromethyl)spiro[bicyclo[3.1.1]heptane-2,5'-thiolane]",NA,"C1CC2(CC(C(S2)(F)F)(F)F)C3CC1C3(C(F)(F)F)C(F)(F)F","UHMGZMSZRULRFR-UHFFFAOYSA-N",379825,NA,"PDBC53675","664955","Present",NA,NA
+"53676","Spiro[bicyclo[3.2.1]oct-6-ene-2,2'-[1,3]dioxolane], 1,8,8-trimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1S)-(+)-Spiro[1.8.8-trimethylbicyclo[3.2.1]oct-6-ene-2,...",NA,"CC1(C2CCC3(C1(C=C2)C)OCCO3)C","PUAQBSTWKFCNRV-UHFFFAOYSA-N",376764,NA,"PDBC53676","657820","Present",NA,NA
+"53677","Spiro[bicyclo[3.2.1]octane-2,2'-[1,3]dioxolan]-7-ol, 8,8-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(exo)-Spiro[8,8-dimethyl-7-hydroxybicyclo[3.2.1]octane-2...",NA,"CC1(C2CCC3(C1C(C2)O)OCCO3)C","YUKPVMPMCSGMQT-UHFFFAOYSA-N",373582,NA,"PDBC53677","650035","Present",NA,NA
+"53678","Spiro[bicyclo[3.3.1]nonane-2,2'-[1,3]dioxolan]-9-one, 6-hydroxy-1,5,6-trimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[bicyclo[3.3.1]nonane-2,2'-[1,3]dioxolan]-9-one, 6-hydroxy-1,5,6-trimethyl-",NA,"CC12CCC3(C(C1=O)(CCC2(C)O)C)OCCO3","HAMKGOFUGMHSMG-UHFFFAOYSA-N",363370,NA,"PDBC53678","628252","Present",NA,NA
+"53679","Spiro[cyclohepta[b]pyrrole-3(2H),1'-cyclohexan]-2-one, octahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclohepta[b]pyrrole-3(2H),1'-cyclohexan]-2-one, octahydro-",NA,"C1CCC2C(CC1)NC(=O)C23CCCCC3","PABSYTWLIILZFU-UHFFFAOYSA-N",363341,NA,"PDBC53679","628197","Present",NA,NA
+"53680","Spiro[cyclohepta[b]pyrrole-3(2H),1'-cyclohexan]-2-one, octahydro-8-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclohepta[b]pyrrole-3(2H),1'-cyclohexan]-2-one, octahydro-8-hydroxy-",NA,"C1CCC2(CC1)C3CCCCC(C3NC2=O)O","JVAQZCQNBOWERX-UHFFFAOYSA-N",363342,NA,"PDBC53680","628198","Present",NA,NA
+"53681","Spiro[cyclohepta[c]pyrrole-1(2H),1'-cyclohexan]-3(4H)-one, hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclohepta[c]pyrrole-1(2H),1'-cyclohexan]-3(4H)-one, hexahydro-",NA,"C1CCC2C(CC1)C3(CCCCC3)NC2=O","YSQPZBDEMHFNCQ-UHFFFAOYSA-N",363340,NA,"PDBC53681","628196","Present",NA,NA
+"53682","Spiro[cyclohepta[c]pyrrole-1(2H),1'-cyclohexan]-3(4H)-one, hexahydro-4-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-hydroxyspiro[2,3a,4,5,6,7,8,8a-octahydrocyclohepta[c]pyrrole-1,1'-cyclohexane]-3-one",NA,"C1CCC2(CC1)C3CCCCC(C3C(=O)N2)O","ISTPIBPQBJFNCF-UHFFFAOYSA-N",363344,NA,"PDBC53682","628200","Present",NA,NA
+"53683","Spiro[cyclohex-3-ene-1,3'-[3H]indol]-2'(1'H)-one, 6-acetyl-4-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5'-Acetyl-1'-methylspiro[1H-indole-3,4'-cyclohexene]-2-one",NA,"CC1=CCC2(C(C1)C(=O)C)C3=CC=CC=C3NC2=O","JGNOBCLDLMDPPN-UHFFFAOYSA-N",370125,NA,"PDBC53683","642717","Present",NA,NA
+"53684","Spiro[cyclohex-4-ene-1,3'-[3H]indole]-2,2-dicarboxylic acid, 1',2'-dihydro-5-methyl-2'-oxo-, diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 4'-methyl-2-oxospiro[1H-indole-3,6'-cyclohex-3-ene]-1',1'-dicarboxylate",NA,"CCOC(=O)C1(CC=C(CC12C3=CC=CC=C3NC2=O)C)C(=O)OCC","OTQVNEPFCQBJED-UHFFFAOYSA-N",370126,NA,"PDBC53684","642718","Present",NA,NA
+"53685","Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-1'-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-1'-hydroxy-",NA,"C1CC2(CCC1=O)CC3=CC=CC=C3C2O","IXTAMFDGXLKNTG-UHFFFAOYSA-N",380764,NA,"PDBC53685","666472","Present",NA,NA
+"53686","Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-3'-hydroxy-1',1'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclohexane-1,2'-[2H]inden]-4-one, 1',3'-dihydro-3'-hydroxy-1',1'-dimethyl-",NA,"CC1(C2=CC=CC=C2C(C13CCC(=O)CC3)O)C","WFKWOODOULRKGA-UHFFFAOYSA-N",380763,NA,"PDBC53686","666471","Present",NA,NA
+"53687","Spiro[cyclohexane-1,2'-[2H]indene]-1',3',4-trione, 2,6-diphenyl-, (2R,6R)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3R,5R)-3,5-Diphenylspiro[cyclohexane-4,2'-indene]-1,1',3'-trione",NA,"C1C(C2(C(CC1=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C5=CC=CC=C5","JCRKSTFTQQLWFT-DHIUTWEWSA-N",383407,NA,"PDBC53687","671637","Present",NA,NA
+"53688","Spiro[cyclohexane-1,2'-[2H]indene]-1',4(3'H)-dione, 3',3'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclohexane-1,2'-[2H]indene]-1',4(3'H)-dione, 3',3'-dimethyl-",NA,"CC1(C2=CC=CC=C2C(=O)C13CCC(=O)CC3)C","DFQSSQNWNNFISJ-UHFFFAOYSA-N",380765,NA,"PDBC53688","666473","Present",NA,NA
+"53689","Spiro[cyclohexane-1,2'-[2H]indene]-3-carboxylic acid, 1',3'-dihydro-1',4-dioxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclohexane-1,2'-[2H]indene]-3-carboxylic acid, 1',3'-dihydro-1',4-dioxo-, methyl ester",NA,"COC(=O)C1CC2(CCC1=O)CC3=CC=CC=C3C2=O","WHSAMYQQNBOCPW-UHFFFAOYSA-N",380761,NA,"PDBC53689","666469","Present",NA,NA
+"53690","Spiro[cyclohexane-1,2'-[2H]indole], 1',3'-dihydro-3'-methylene-1'-[(4-methylphenyl)sulfonyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclohexane-1,2'-[2H]indole], 1',3'-dihydro-3'-methylene-1'-[(4-methylphenyl)sulfonyl]-",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C(=C)C24CCCCC4","AOVWDICCTXSEKU-UHFFFAOYSA-N",372868,NA,"PDBC53690","648558","Present",NA,NA
+"53691","Spiro[cyclohexane-1,2'-[7]oxabicyclo[4.1.0]hept[4]ene], 3,4'-dibromo-4-chloro-1',4-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3-Dibromo-1'-chloro-1',6-dimethylspiro[7-oxabicyclo[4.1.0]hept-2-ene-5,4'-cyclohexane]",NA,"CC1(CCC2(CC1Br)CC(=CC3C2(O3)C)Br)Cl","ZIRXBRVKWMOWIG-UHFFFAOYSA-N",362628,NA,"PDBC53691","626774","Present",NA,NA
+"53692","Spiro[cyclohexane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclohexane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-",NA,"CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)C=CC5(O4)CCCCC5)OC","QIJXGSALJLRUPX-UHFFFAOYSA-N",378815,NA,"PDBC53692","662133","Present",NA,NA
+"53693","Spiro[cyclopent[a]indene-2(8H),2'-[2H]indene]-1',8(3'H)-dione, 1,3,3a,8a-tetrahydro-1,3-diphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Diphenylspiro[1,3,3a,8b-tetrahydrocyclopenta[a]indene-2,2'-3H-indene]-1',4-dione",NA,"C1C2=CC=CC=C2C(=O)C13C(C4C(C3C5=CC=CC=C5)C(=O)C6=CC=CC=C46)C7=CC=CC=C7","DERYTOHQOBYDNH-UHFFFAOYSA-N",380793,NA,"PDBC53693","666513","Present",NA,NA
+"53694","Spiro[cyclopent[i]indolizine-2(1H),2'-[1,3]dioxolan]-6(7H)-one, hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclopent[i]indolizine-2(1H),2'-[1,3]dioxolan]-6(7H)-one, hexahydro-",NA,"C1CC2CC(=O)N3C2(C1)CC4(CC3)OCCO4","GUSUALGHELVILR-UHFFFAOYSA-N",361478,NA,"PDBC53694","624515","Present",NA,NA
+"53695","Spiro[cyclopent[i]indolizine-2(1H),2'-[1,3]dioxolane]-6(7H)-thione, hexahydro-7-(1-methyl-2-propenyl)-7-[3-(phenylmethoxy)propyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7'-But-3-en-2-yl-7'-(3-phenylmethoxypropyl)spiro[1,3-dioxolane-2,2'-3,4,7a,8,9,10-hexahydro-1H-cyclopenta[i]indolizine]-6'-thione",NA,"CC(C=C)C1(C2CCCC23CC4(CCN3C1=S)OCCO4)CCCOCC5=CC=CC=C5","IQQSFMMVNDTVMW-UHFFFAOYSA-N",361486,NA,"PDBC53695","624523","Present",NA,NA
+"53696","Spiro[cyclopent[i]indolizine-2(1H),2'-[1,3]oxathiolane]-6(7H)-thione, hexahydro-7-[3-(phenylmethoxy)propyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(3-Phenylmethoxypropyl)spiro[1,3,4,7,7a,8,9,10-octahydrocyclopenta[i]indolizine-2,2'-1,3-oxathiolane]-6-thione",NA,"C1CC2C(C(=S)N3C2(C1)CC4(CC3)OCCS4)CCCOCC5=CC=CC=C5","JJZMKOGCLSJYJV-UHFFFAOYSA-N",379057,NA,"PDBC53696","662827","Present",NA,NA
+"53697","Spiro[cyclopentane-1,1'-[1H]isoindol]-3'(2'H)-one, 3'a-(acetyloxy)hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-oxospiro[2,4,5,6,7,7a-hexahydroisoindole-1,1'-cyclopentane]-3a-yl) acetate",NA,"CC(=O)OC12CCCCC1C3(CCCC3)NC2=O","AEUZAWNRIBQRJL-UHFFFAOYSA-N",363333,NA,"PDBC53697","628190","Present",NA,NA
+"53698","Spiro[cyclopentane-1,1'-[1H]isoindol]-3'(2'H)-one, hexahydro-3'a-hydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7a-hydroxyspiro[2,3a,4,5,6,7-hexahydroisoindole-3,1'-cyclopentane]-1-one",NA,"C1CCC2(C(C1)C3(CCCC3)NC2=O)O","GMYKAIZHDQPSLL-UHFFFAOYSA-N",363350,NA,"PDBC53698","628206","Present",NA,NA
+"53699","Spiro[cyclopentane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclopentane-1,3'-[3H]pyrano[2,3-c]acridin]-7'(12'H)-one, 6'-methoxy-12'-methyl-",NA,"CN1C2=CC=CC=C2C(=O)C3=C(C=C4C(=C31)C=CC5(O4)CCCC5)OC","NRJWDDAENVKOIA-UHFFFAOYSA-N",378400,NA,"PDBC53699","660818","Present",NA,NA
+"53700","Spiro[cyclopentane-1,9'-[9H]fluorene]-2,3-dione, 4-(phenylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclopentane-1,9'-[9H]fluorene]-2,3-dione, 4-(phenylsulfonyl)-",NA,"C1C(C(=O)C(=O)C12C3=CC=CC=C3C4=CC=CC=C24)S(=O)(=O)C5=CC=CC=C5","JCRIPFDYTMDRHF-UHFFFAOYSA-N",362105,NA,"PDBC53700","625633","Present",NA,NA
+"53701","Spiro[cyclopentane-1,9'-[9H]fluorene]-3-carbonitrile, 4,5-dioxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[cyclopentane-1,9'-[9H]fluorene]-3-carbonitrile, 4,5-dioxo-",NA,"C1C(C(=O)C(=O)C12C3=CC=CC=C3C4=CC=CC=C24)C#N","NBZRKLUWTXMVFR-UHFFFAOYSA-N",362106,NA,"PDBC53701","625634","Present",NA,NA
+"53702","Spiro[cyclopropane-1,2'-[7]oxabicyclo[2.2.1]hept[5]ene]-6'-carboxylic acid, 1'-methyl-3'-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 1-methyl-5-oxospiro[7-oxabicyclo[2.2.1]hept-2-ene-6,1'-cyclopropane]-2-carboxylate",NA,"CC12C(=CC(O1)C(=O)C23CC3)C(=O)OC","WPIVZURZDRJALN-UHFFFAOYSA-N",361152,NA,"PDBC53702","623984","Present",NA,NA
+"53703","Spiro[furan-3(2H),5'-[2]oxabicyclo[2.2.2]oct[7]ene]-2,3'-dione, 4,5-dihydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2-oxabicyclo[2.2.2]oct-5-ene-8,3'-oxolane]-2',3-dione",NA,"C1COC(=O)C12CC3C=CC2C(=O)O3","VGVLMHYNQBMKKH-UHFFFAOYSA-N",375585,NA,"PDBC53703","655399","Present",NA,NA
+"53704","Spiro[indan-1,1'-cyclopentane]-2',5'-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,2-dihydroindene-3,2'-cyclopentane]-1',3'-dione",NA,"C1CC(=O)C2(C1=O)CCC3=CC=CC=C23","VSCILENQQFLZFH-UHFFFAOYSA-N",360668,NA,"PDBC53704","622986","Present",NA,NA
+"53705","Spiro[isobenzofuran-1(3H),2'-oxiran]-3-one, 3'-(4-chlorophenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-(4-Chlorophenyl)spiro[2-benzofuran-3,2'-oxirane]-1-one",NA,"C1=CC=C2C(=C1)C(=O)OC23C(O3)C4=CC=C(C=C4)Cl","KSCCPTWNTQSSNP-UHFFFAOYSA-N",374755,NA,"PDBC53705","652999","Present",NA,NA
+"53706","Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 6'-fluoro-2'-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6'-Fluoro-2'-methylspiro[2-benzofuran-3,9'-xanthene]-1-one",NA,"CC1=CC2=C(C=C1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)F","OGYJVSRSQAENOM-UHFFFAOYSA-N",372506,NA,"PDBC53706","647622","Present",NA,NA
+"53707","Spiro[naphthalene-1(2H),3'-pyrazolidin]-5'-one, 3,4-dihydro-4'-methyl-1'-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-Methyl-2'-phenylspiro[2,3-dihydro-1H-naphthalene-4,5'-pyrazolidine]-3'-one",NA,"CC1C(=O)N(NC12CCCC3=CC=CC=C23)C4=CC=CC=C4","ACRSCYRJEUHRFC-UHFFFAOYSA-N",383529,NA,"PDBC53707","671946","Present",NA,NA
+"53708","Spiro[oxazolidine-4,2'-[2H]thiopyrano[2,3-b]quinoline]-2-thione, 5,5-dimethyl-3-phenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[oxazolidine-4,2'-[2H]thiopyrano[2,3-b]quinoline]-2-thione, 5,5-dimethyl-3-phenyl-",NA,"CC1(C2(C=CC3=CC4=CC=CC=C4N=C3S2)N(C(=S)O1)C5=CC=CC=C5)C","ZXLMNNVQVBVIQD-UHFFFAOYSA-N",374873,NA,"PDBC53708","653385","Present",NA,NA
+"53709","Spiro[piperidine-4,2'(1'H)-quinazolin]-4'(3'H)-one, 1'-methyl-1-(phenylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-Benzyl-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one",NA,"CN1C2=CC=CC=C2C(=O)NC13CCN(CC3)CC4=CC=CC=C4","BIJKYLPPEOXWAN-UHFFFAOYSA-N",379973,NA,"PDBC53709","665280","Present",NA,NA
+"53710","Spiro[piperidine-4,2'(1'H)-quinazolin]-4'(3'H)-one, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-1'-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1'-(2,3-Dihydro-1,4-benzodioxin-3-ylmethyl)-1-methylspiro[3H-quinazoline-2,4'-piperidine]-4-one",NA,"CN1C2=CC=CC=C2C(=O)NC13CCN(CC3)CC4COC5=CC=CC=C5O4","URSGOQMZFDRMLW-UHFFFAOYSA-N",379984,NA,"PDBC53710","665289","Present",NA,NA
+"53711","Spiro[s-indacene-2(1H),2'-[2H]inden]-1'(3'H)-one, 3,5,6,7-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3H-indene]-1'-one",NA,"C1CC2=CC3=C(CC4(C3)CC5=CC=CC=C5C4=O)C=C2C1","WTSHLXJXDAYCEA-UHFFFAOYSA-N",382651,NA,"PDBC53711","670299","Present",NA,NA
+"53712","Spiro[s-indacene-2(1H),2'-[2H]inden]-1'(3'H)-one, 4-acetyl-3,5,6,7-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetylspiro[2,3,5,7-tetrahydro-1H-s-indacene-6,2'-3H-indene]-1'-one",NA,"CC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=CC=CC=C5C4=O","OTWFZTTTYHBYQY-UHFFFAOYSA-N",382660,NA,"PDBC53712","670308","Present",NA,NA
+"53713","Spiro[s-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',5,6,7-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[s-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',5,6,7-hexahydro-",NA,"C1CC2=CC3=C(C=C2C1)C(=O)C4(C3)CC5=CC=CC=C5C4","FEXYVUNMWNDRKJ-UHFFFAOYSA-N",382649,NA,"PDBC53713","670297","Present",NA,NA
+"53714","Spiro[s-indacene-2(1H),2'-[2H]inden]-1-one, 1',3,3',5,6,7-hexahydro-5'-(hydroxymethoxyacetyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2-Hydroxy-2-methoxyacetyl)spiro[1,3-dihydroindene-2,2'-3,5,6,7-tetrahydro-s-indacene]-1'-one",NA,"COC(C(=O)C1=CC2=C(CC3(C2)CC4=C(C3=O)C=C5CCCC5=C4)C=C1)O","MRHFGKARKBVZET-UHFFFAOYSA-N",382663,NA,"PDBC53714","670311","Present",NA,NA
+"53715","Spiro[s-indacene-2(1H),2'-[2H]inden]-1-one, 5'-acetyl-1',3,3',5,6,7-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetylspiro[1,3-dihydroindene-2,2'-3,5,6,7-tetrahydro-s-indacene]-1'-one",NA,"CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3=O)C=C5CCCC5=C4)C=C1","QBEZZQQNWXIICM-UHFFFAOYSA-N",382661,NA,"PDBC53715","670309","Present",NA,NA
+"53716","Spiro[s-indacene-2(1H),2'-[2H]indene]-1,1'(3'H)-dione, 3,5,6,7-tetrahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[3,5,6,7-tetrahydro-s-indacene-2,2'-3H-indene]-1,1'-dione",NA,"C1CC2=CC3=C(C=C2C1)C(=O)C4(C3)CC5=CC=CC=C5C4=O","DORDSAFSIHCUFG-UHFFFAOYSA-N",382768,NA,"PDBC53716","670446","Present",NA,NA
+"53717","Spiro[s-indacene-2(1H),2'-[2H]indene]-4-carboxylic acid, 1',3,3',5,6,7-hexahydro-1'-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 3-oxospiro[1H-indene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-4'-carboxylate",NA,"COC(=O)C1=C2CCCC2=CC3=C1CC4(C3)CC5=CC=CC=C5C4=O","DRDQOHMUVPZYAQ-UHFFFAOYSA-N",382659,NA,"PDBC53717","670307","Present",NA,NA
+"53718","Spiro[s-indacene-2(1H),2'-[2H]indene]-5'-carboxylic acid, 1',3,3',5,6,7-hexahydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl spiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-1H-s-indacene]-5-carboxylate",NA,"COC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C=C5CCCC5=C4)C=C1","PCBVPRNAXMQVNO-UHFFFAOYSA-N",382767,NA,"PDBC53718","670445","Present",NA,NA
+"53719","Spiro[s-indacene-2(1H),2'-[2H]indene]-5'-carboxylic acid, 1',3,3',5,6,7-hexahydro-1-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 7-oxospiro[1,2,3,5-tetrahydro-s-indacene-6,2'-1,3-dihydroindene]-5'-carboxylate",NA,"COC(=O)C1=CC2=C(CC3(C2)CC4=C(C3=O)C=C5CCCC5=C4)C=C1","BNCZOHWSVIEOPQ-UHFFFAOYSA-N",382662,NA,"PDBC53719","670310","Present",NA,NA
+"53720","Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 1,1',3,3',6,7-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 1,1',3,3',6,7-hexahydro-",NA,"C1CC(=O)C2=CC3=C(CC4(C3)CC5=CC=CC=C5C4)C=C21","ISLTYRHFOQTLHD-UHFFFAOYSA-N",382726,NA,"PDBC53720","670404","Present",NA,NA
+"53721","Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 5'-acetyl-1,1',3,3',6,7-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Acetylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one",NA,"CC(=O)C1=CC2=C(CC3(C2)CC4=C(C3)C=C5C(=C4)CCC5=O)C=C1","JQIMPXNUWOWHDI-UHFFFAOYSA-N",382730,NA,"PDBC53721","670408","Present",NA,NA
+"53722","Spiro[s-indacene-2(5H),2'-[2H]inden]-5-one, 5'-ethyl-1,1',3,3',6,7-hexahydro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Ethylspiro[1,3-dihydroindene-2,6'-2,3,5,7-tetrahydro-s-indacene]-1'-one",NA,"CCC1=CC2=C(CC3(C2)CC4=C(C3)C=C5C(=C4)CCC5=O)C=C1","FCCCCACUPCHESA-UHFFFAOYSA-N",382731,NA,"PDBC53722","670409","Present",NA,NA
+"53723","Spirohexenolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spirohexenolide",NA,"CC1CC23C(=O)C(=C4C=CC(=CC(CC=CC(=CC2(C=C1C)C)C)O)CO4)C(=O)O3","SWMOMSBFRQXQAA-XCGZFUDOSA-N",54613640,NA,"PDBC53723","746076","Present",NA,NA
+"53724","Spiromustine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spirohydantoin Mustard",NA,"C1CCC2(CC1)C(=O)N(C(=O)N2)CCN(CCCl)CCCl","QNKJFXARIMSDBR-UHFFFAOYSA-N",41945,NA,"PDBC53724","172112","Present",NA,NA
+"53725","Spiroxatrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiroxatrine",NA,"C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CC4COC5=CC=CC=C5O4","JVGBTTIJPBFLTE-UHFFFAOYSA-N",5268,NA,"PDBC53725","665322","Present",NA,NA
+"53726","Spongiane Acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spongiane Acid",NA,"CC12CCCC(C1CCC3(C2CCC4=COC=C43)C)(C)C(=O)O","KJCLDWYEUKTPNA-PWBWWXBJSA-N",360240,NA,"PDBC53726","622260","Present",NA,NA
+"53727","Spongothymidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ara-T",NA,"CC1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)O","DWRXFEITVBNRMK-UHFFFAOYSA-N",249989,NA,"PDBC53727","68929","Present",NA,NA
+"53728","Sporidesmolide I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sporidesmolide I",NA,"CC1CC(=O)NC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)N(C(C(=O)OC1)CC(C)C)C)C(C)C)C(C)C)CC(C)C)C(C)C","CWCLCJUWNJYVCD-UHFFFAOYSA-N",122726,NA,"PDBC53728","122224","Present",NA,NA
+"53729","Squamocin G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bullatacin",NA,"CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC(CC3=CC(OC3=O)C)O)O)O","MBABCNBNDNGODA-TVIWBYDISA-N",5459105,NA,"PDBC53729","615484","Present",NA,NA
+"53730","Squamone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Squamone",NA,"CCCCCCCCCCCCC(C1CCC(O1)C(CCCCCC(=O)CCCCC2CC(C(=O)O2)C(=O)C)O)O","MQBRFDUVPJNHBO-RJHGUPFNSA-N",393476,NA,"PDBC53730","695409","Present",NA,NA
+"53731","Squoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenol, 1,1'-methylenebis- (9CI)",NA,"C1=CC=C2C(=C1)C=CC(=C2CC3=C(C=CC4=CC=CC=C43)O)O","ZPANWZBSGMDWON-UHFFFAOYSA-N",14187,NA,"PDBC53731","5992","Present",NA,NA
+"53732","Stacy-S-2-23,26",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stacy-S-2-23,26",NA,NA,NA,NA,NA,"PDBC53732","39146","Present",NA,NA
+"53733","Stains-all",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dbtc",NA,"CCN1C(=CC(=CC2=[N+](C3=C(S2)C=CC4=CC=CC=C43)CC)C)SC5=C1C6=CC=CC=C6C=C5.[Br-]","MPBRYMWMMKKRGC-UHFFFAOYSA-M",6364602,NA,"PDBC53733","290437","Present",NA,NA
+"53734","Stallimycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dst-a",NA,"CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NCCC(=N)N)C)C)NC=O","UPBAOYRENQEPJO-UHFFFAOYSA-N",3115,NA,"PDBC53734","82150","Present",NA,NA
+"53735","Stamicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nysert",NA,"CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O","ZYYCHNFSUYYLTP-HWEHLMELSA-N",5458319,NA,"PDBC53735","150817","Present",NA,NA
+"53736","Stannane, (2,4-dichlorophenoxy)tributyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tri-n-butyl-(2,4-dichlorophenoxy)tin",NA,"CCCC[Sn](CCCC)(CCCC)OC1=C(C=C(C=C1)Cl)Cl","FFQFQPHOBAMGEV-UHFFFAOYSA-M",16683287,NA,"PDBC53736","102980","Present",NA,NA
+"53737","Stannane, chlorohydroxydiphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stannane, chlorohydroxydiphenyl-",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)Cl.O","KRJAJGBJNNVEAP-UHFFFAOYSA-M",6333579,NA,"PDBC53737","269599","Present",NA,NA
+"53738","Stannane, dibutyldithiocyanato-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stannane, dibutyldithiocyanato-",NA,"CCCC[Sn](CCCC)(SC#N)SC#N","JHZWKDMAVKVNDM-UHFFFAOYSA-L",9569306,NA,"PDBC53738","202858","Present",NA,NA
+"53739","Stannane, dicyclohexyloxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E0P23WVX51",NA,"C1CCC(CC1)[Sn](=O)C2CCCCC2","QULMZVWEGVTWJY-UHFFFAOYSA-N",31510,NA,"PDBC53739","99148","Present",NA,NA
+"53740","Stannane, difluorodiphenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stannane, difluorodiphenyl-",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(F)F","ONYRMAWSDQTEAL-UHFFFAOYSA-L",294450,NA,"PDBC53740","162818","Present",NA,NA
+"53741","Stannane, monohydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stannane, trimethyl(nitrooxy)-, monohydrate",NA,"C[Sn](C)(C)O[N+](=O)[O-]","BIPLBCSVKMJQBW-UHFFFAOYSA-N",16683340,NA,"PDBC53741","166456","Present",NA,NA
+"53742","Stannane, tributyl(2-methyl-1-oxopropoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tri-n-butyltin isobutyrate",NA,"CCCC[Sn-](CCCC)(CCCC)OC(=O)C(C)C","XRKWMPGEQLHRTD-UHFFFAOYSA-M",16686045,NA,"PDBC53742","168607","Present",NA,NA
+"53743","Stannane, trimethyl[(4-morpholinylthioxomethyl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stannane, trimethyl[(4-morpholinylthioxomethyl)thio]-",NA,"C[Sn](C)(C)SC(=S)N1CCOCC1","BPWWYWORPYMYIC-UHFFFAOYSA-M",300936,NA,"PDBC53743","176632","Present",NA,NA
+"53744","Stannane,4,5-trichlorophenoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tributyl(2,4,5-trichlorophenoxy)tin",NA,"CCCC[Sn-](CCCC)(CCCC)OC1=CC(=C(C=C1Cl)Cl)Cl","VSMHISQJZOTNJC-UHFFFAOYSA-M",16686044,NA,"PDBC53744","164914","Present",NA,NA
+"53745","Stauprimide, >=98% (HPLC)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[9S-(9-.alpha.-10-.beta.-11-.beta.-13-.alpha.)]-N-(2,3,1...",NA,"CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(=O)NC6=O)N(C)C(=O)C9=CC=CC=C9)OC","MQCCJEYZKWZQHU-JTPSWESPSA-N",71311840,NA,"PDBC53745","756058","Present",NA,NA
+"53746","Stavudine (d4T)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3'-Deoxy-2'-thymidinene",NA,"CC1=CN(C(=O)NC1=O)C2C=CC(O2)CO","XNKLLVCARDGLGL-UHFFFAOYSA-N",5155,NA,"PDBC53746","163661","Present",NA,NA
+"53747","Steffimycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"steffimycin",NA,"CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)O","HWMJTJZEJBSVCG-UHFFFAOYSA-N",66363,NA,"PDBC53747","93419","Present",NA,NA
+"53748","Steffimycin B sodium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Steffimycin B sodium",NA,"CC1C(C(C(C(O1)OC2C(C(C(=O)C3=CC4=C(C(=C23)O)C(=O)C5=C(C4=O)C=C(C=C5O)OC)(C)O)OC)OC)O)OC.[Na+]","DVCHEUVQAIVYIX-UHFFFAOYSA-N",5458426,NA,"PDBC53748","204856","Present",NA,NA
+"53749","Stelazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC17474///NSC757369",NA,"CN1CCN(CC1)CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl","RIULCFSTKRDHBX-UHFFFAOYSA-N",2913535,NA,"PDBC53749","17474///757369","Present",NA,NA
+"53750","Stellettamide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stellettamide B",NA,"CC(CCC=C(C)C)C=CC=C(C)C(=O)CCC1CC[N+]2(C1CCCC2)C.[Cl-]","ZLMQGIWYFHZXSJ-VEGZWIDESA-M",54611427,NA,"PDBC53750","700648","Present",NA,NA
+"53751","Stendomycin salicylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stendomycin salicylate",NA,NA,NA,NA,NA,"PDBC53751","122716","Present",NA,NA
+"53752","Stepharine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STEPHARINE",NA,"COC1=C(C2=C3C(CC24C=CC(=O)C=C4)NCCC3=C1)OC","OGJKMZVUJJYWKO-UHFFFAOYSA-N",98455,NA,"PDBC53752","135069","Present",NA,NA
+"53753","Stephavanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stephavanine",NA,"COC1=C(C=CC(=C1)C(=O)OC2CC34CCNC35CC(C6=CC7=C(C=C46)OCO7)OC5(C2O)OC)O","BTDVYOKUHWMJJD-UHFFFAOYSA-N",421509,NA,"PDBC53753","135026","Present",NA,NA
+"53754","Stereoisomer of 672120 (MW=262)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stereoisomer of 672120 (MW=262)",NA,"CC1=CCCC2(C(O2)C3C(CC1=O)C(=C)C(=O)O3)C","MZDVWXBIIWIBTB-NGFBGBQSSA-N",5459262,NA,"PDBC53754","687011","Present",NA,NA
+"53755","Stereoisomer of NSC 674066-O",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stereoisomer of nsc 674067-p///stereoisomer of nsc 674066-o",NA,"COC1=CC2=C(C=C1)NC=C2C3C4CCC(C4)C3NCC5=CC(=CC=C5)CNC6C7CCC(C7)C6C8=CNC9=C8C=C(C=C9)OC","URXXLRJJRZBNJE-QNMHIYQMSA-N",384359,NA,"PDBC53755","674066///674067","Present",NA,NA
+"53756","Sterigmatocystin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sterigmatocystin",NA,"COC1=C2C(=C3C4C=COC4OC3=C1)OC5=CC=CC(=C5C2=O)O","UTSVPXMQSFGQTM-DCXZOGHSSA-N",5280389,NA,"PDBC53756","204985","Present",NA,NA
+"53757","Sterol sulphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sterol sulphate",NA,"CC(=O)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4O)OS(=O)(=O)O)C)C","QZLJWLSUXOQTNU-ZGETZVIFSA-N",362386,NA,"PDBC53757","626156","Present",NA,NA
+"53758","Stictic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stictic acid",NA,"CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3C)O)C(=O)OC4O)C=O)OC","SKCUFZLDTAYNBZ-UHFFFAOYSA-N",73677,NA,"PDBC53758","87511","Present",NA,NA
+"53759","Stilbazium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"monopar",NA,"CC[N+]1=C(C=CC=C1C=CC2=CC=C(C=C2)N3CCCC3)C=CC4=CC=C(C=C4)N5CCCC5.[I-]","BYIRBDUHSVOFLU-UHFFFAOYSA-M",6433387,NA,"PDBC53759","89239","Present",NA,NA
+"53760","Stilbene, alpha-ethyl-4,4'-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GDNNLCVGDNIIBD-FYWRMAATSA-N",NA,"CCC(=CC1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC","GDNNLCVGDNIIBD-FYWRMAATSA-N",5377805,NA,"PDBC53760","658944","Present",NA,NA
+"53761","Stipiamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Stipiamide",NA,"CC(CCC1=CC=CC=C1)C=C(C)C(C(C)C=C(C)C=CC=CC=CC=C(C)C(=O)NC(C)CO)O","LCADVYTXPLBAGB-AUQKUMLUSA-N",5467322,NA,"PDBC53761","650717","Present",NA,NA
+"53762","Straital B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Straital B",NA,"CC(C)C1=C2C3C(C=C(C4C(C3(CCC2(CC1)C)C)OC5C4(C(=O)C(CO5)OC(=O)C)O)C=O)O","XEYRAYPCKBTMBS-QSNZRAQQSA-N",329431,NA,"PDBC53762","312033","Present",NA,NA
+"53763","Streptidine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptidine sulfate",NA,"C1(C(C(C(C(C1O)O)O)N=C(N)N)O)N=C(N)N.OS(=O)(=O)O","JXOXNSAQCGKPLP-UHFFFAOYSA-N",227248,NA,"PDBC53763","18695","Present",NA,NA
+"53764","Streptimidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"streptimidone",NA,"CC(C=C(C)C=C)C(=O)CC(CC1CC(=O)NC(=O)C1)O","ZRYKVDWGQVQRPG-RUMBLXRPSA-N",5351572,NA,"PDBC53764","66645","Present",NA,NA
+"53765","Streptonigrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC45383///NSC83950",NA,"CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=O)C(=C(C3=O)N)OC)N)C4=C(C(=C(C=C4)OC)OC)O","PVYJZLYGTZKPJE-UHFFFAOYSA-N",5298,NA,"PDBC53765","45383///83950","Present",NA,NA
+"53766","Streptonigrin analog (MeO-N3)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptonigrin analog (MeO-N3)",NA,"COC1=C(C(=O)C2=C(C1=O)C=CC=N2)N=[N+]=[N-]","YRYFUSNXXXSWDJ-UHFFFAOYSA-N",494043,NA,"PDBC53766","81052","Present",NA,NA
+"53767","Streptonigrin analog (etnh)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptonigrin analog (EtNH)",NA,"CCNC1=CC(=O)C2=C(C1=O)C=CC=N2","VWEKWMGFJIZVNQ-UHFFFAOYSA-N",324770,NA,"PDBC53767","291094","Present",NA,NA
+"53768","Streptorubrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptorubrin",NA,NA,NA,NA,NA,"PDBC53768","76779","Present",NA,NA
+"53769","Streptoval C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptoval C",NA,"CC1C(C(C(OC1O)C(C)C(C(C)C=CC=C(C)C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(OCO4)C(=CC(=O)C)C)C)OC(=O)C)C)O)C(=O)OC)O","MIUJOEGCYRFQIS-VWSKNAGGSA-N",135443562,NA,"PDBC53769","169627","Present",NA,NA
+"53770","Streptovaricin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC189793///NSC48810",NA,"CC1C(C(C(C(C(C(C=C(C2=C3C4=C(C(=C(C(=C4C(=O)C(=C3OCO2)C)O)NC(=O)C(=CC=CC(C1O)(C)O)C)C)OC(=O)C)C)(C)O)O)C)OC(=O)C)C(=O)OC)O","DAQTVVQVNADAHI-JKSDWACGSA-N",135408540,NA,"PDBC53770","189793///48810","Present",NA,NA
+"53771","Streptovaricin A diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptovaricin A diacetate",NA,"CC1C(C(C(C(C(C(C=C(C2=C3C4=C(C(=C(C(=C4C(=O)C(=C3OCO2)C)O)NC(=O)C(=CC=CC(C1O)(C)O)C)C)OC(=O)C)C)(C)O)O)C)OC(=O)C)C(=O)OC)O.CC(=O)O","FIZACHYXTXGTRG-KBSUHSCDSA-N",135539673,NA,"PDBC53771","210761","Present",NA,NA
+"53772","Streptovaricin C triacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptovaricin C triacetate",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)(C)O)C)OCO4)C)OC(=O)C)C)C.CC(=O)O","ZTKBNCHRIWQUSM-DPYVROLHSA-N",135491148,NA,"PDBC53772","210760","Present",NA,NA
+"53773","Streptovaricin D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"streptovaricin d",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)C)C)OCO4)C)OC(=O)C)C)C","SFIMJDKEAAKAPV-IRFVLPQXSA-N",135443623,NA,"PDBC53773","156216","Present",NA,NA
+"53774","Streptovaricin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptovaricin E",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1=O)C)O)C(=O)OC)O)C)O)(C)O)C)OCO4)C)OC(=O)C)C)C","QFWPUJUVXCUSSX-UBBKACLCSA-N",135459422,NA,"PDBC53774","156217","Present",NA,NA
+"53775","Streptovaricin F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptovaricin F",NA,"CC1C(C2C(C(C(C(C=CC=C(C(=O)NC3=C(C(=C4C(=C3O)C(=O)C(=C5C4=C(C(=CC(C1O)(C)O)C)OCO5)C)OC(=O)C)C)C)(C)O)OC2=O)C)O)O","LMKBJVKXRKQNGU-ZJTMBGIFSA-N",135539461,NA,"PDBC53775","156218","Present",NA,NA
+"53776","Streptovaricin G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptovaricin G",NA,"CC1C(C(C(C(C(C(C=C(C2=C3C4=C(C(=C(C(=C4C(=O)C(=C3OCO2)C)O)NC(=O)C(=CC=CC(C1O)(C)O)C)C)OC(=O)C)C)(C)O)O)C)O)C(=O)OC)O","VFWVBAYZDJRDPD-ZWRKCCFBSA-N",135459423,NA,"PDBC53776","156219","Present",NA,NA
+"53777","Streptovaricin complex, fraction b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Streptovaricin B",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1O)C)O)C(=O)OC)OC(=O)C)C)O)(C)O)C)OCO4)C)OC(=O)C)C)C","IGDMPTXQUGESNO-HVYWSWGMSA-N",135443622,NA,"PDBC53777","156215","Present",NA,NA
+"53778","Streptovaricinoic acid, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"streptovaricin c",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=O)C(=C4C3=C(C(=CC(C(C(C(C(C(C(C1O)C)O)C(=O)OC)O)C)O)(C)O)C)OCO4)C)OC(=O)C)C)C","JDECNKBYILMOLE-UBBKACLCSA-N",135431273,NA,"PDBC53778","19990","Present",NA,NA
+"53779","Streptovitacin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"resactin a",NA,"CC1CC(CC(C1=O)C(CC2CC(=O)NC(=O)C2)O)(C)O","NFDQYBUVHVRNNY-UHFFFAOYSA-N",91467,NA,"PDBC53779","39147","Present",NA,NA
+"53780","Strictic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Strictic acid",NA,"CC1CCC(=C)C(=CC=CCC1(C)CCC2=COC=C2)C(=O)O","PHJADXZUQNOLEH-VEUUUYJLSA-N",5469447,NA,"PDBC53780","688240","Present",NA,NA
+"53781","Strobopinin-7-methylether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Strobopinin-7-methylether",NA,"CC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)OC","MJPLGHSVCRZIQU-UHFFFAOYSA-N",369597,NA,"PDBC53781","641478","Present",NA,NA
+"53782","Strophanthidin, oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Strophanthidin oxime",NA,"CC12CCC3C(C1(CCC2C4=COC(=O)C4)O)CCC5(C3(CCC(C5)O)C=NO)O","SLLODQQGCJRULY-YVEDNZMPSA-N",6440906,NA,"PDBC53782","93373","Present",NA,NA
+"53783","Strophanthidol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Strophanthidol",NA,"CC12CCC3C(C1(CCC2C4=CC(=O)OC4)O)CCC5(C3(CCC(C5)O)CO)O","ZNDMLUUNNNHNKC-HZXDTFASSA-N",258412,NA,"PDBC53783","87314","Present",NA,NA
+"53784","Strophanthin K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"strophanthin",NA,"CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)CO)O)O)O","FHIREUBIEIPPMC-UHFFFAOYSA-N",220861,NA,"PDBC53784","4320","Present",NA,NA
+"53785","Strophanthoside-K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"strophanthoside-k",NA,"CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)OC7C(C(C(C(O7)COC8C(C(C(C(O8)CO)O)O)O)O)O)O","GILGYKHFZXQALF-MLNDFHCFSA-N",44891382,NA,"PDBC53785","7530","Present",NA,NA
+"53786","Strychnine N-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Genostrychnine",NA,"C1C[N+]2(CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75)[O-]","ADTDBAKUQAKBGZ-VXJIXCKJSA-N",73393,NA,"PDBC53786","24951","Present",NA,NA
+"53787","Strychnine, 11-benzylidene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Strychnine, 11-benzylidene",NA,"C1CN2CC3=CCOC4C5C3CC2C16C5N(C7=CC=CC=C67)C(=O)C4=CC8=CC=CC=C8","IBBIDRLVXCGALA-ZHZULCJRSA-N",5381711,NA,"PDBC53787","121868","Present",NA,NA
+"53788","Strychninic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Strychninic acid",NA,"C1CN2CC3=CCOC(C4C3CC2C15C4NC6=CC=CC=C56)CC(=O)O","SQIFUSVCLFHGOI-UHFFFAOYSA-N",275189,NA,"PDBC53788","121860","Present",NA,NA
+"53789","Strychnofendlerine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Strychnofendlerine",NA,"CC1C2CN(CCC34C(C(C2CC3=O)CO1)N(C5=CC=CC=C45)C(=O)C)C","FMZMLKGLGADCPQ-UHFFFAOYSA-N",327292,NA,"PDBC53789","301744","Present",NA,NA
+"53790","Strychnopentamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C35H43N5O",NA,"CN1CCCC1C2=C(C=CC3=C2NC4=C3CCN5C4CC(C(C5)C=C)CC6C7=C(CCN6C)C8=CC=CC=C8N7)O","PHLJPJICTIGOKC-XKYMZAEISA-N",6712640,NA,"PDBC53790","703770","Present",NA,NA
+"53791","Strychochrysine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Strychochrysine",NA,"CCC1=C[N+]2=C(C=C1C3=CN4C5C(C3O)C6CC7C5(CCN7CC6=CCO)C8=CC=CC=C84)C9=C(CC2)C1=CC=CC=C1N9","QXXYTXDTJHCEMI-KQSYCOFHSA-O",5470732,NA,"PDBC53791","704824","Present",NA,NA
+"53792","Stubomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stubomycin",NA,"CC1=CC2CC(C(=C2C(=O)CC(CCC=CCC(NC(=O)C=CC=C1)C3=CC=CC=C3)O)O)OC","PLQKHNPZPRTISL-KRZXCKFYSA-N",54598584,NA,"PDBC53792","343256","Present",NA,NA
+"53793","Stylatulide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STYLATULIDE",NA,"CC1C2C(C(C(=C)CCC(C3(C(CC4C(C3C2OC(=O)C)(O4)C)OC(=O)C)C)OC(=O)C)Cl)OC1=O","ALCDJXWWURFGPE-UHFFFAOYSA-N",323968,NA,"PDBC53793","287457","Present",NA,NA
+"53794","Styryl 1-naphthyl ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Styryl 1-naphthyl ketone",NA,"C1=CC=C(C=C1)C=CC(=O)C2=CC=CC3=CC=CC=C32","RSYVUCWGXLBPOV-BUHFOSPRSA-N",5925559,NA,"PDBC53794","38795","Present",NA,NA
+"53795","Suberosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Suberosin",NA,"CC(=CCC1=C(C=C2C(=C1)C=CC(=O)O2)OC)C","RSZDAYHEZSRVHS-UHFFFAOYSA-N",68486,NA,"PDBC53795","31869","Present",NA,NA
+"53796","Succinamidoxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Succinamidoxime",NA,"C(CC(=NO)N)C(=NO)N","LHYIWYMOHCIQRH-UHFFFAOYSA-N",5354578,NA,"PDBC53796","13996","Present",NA,NA
+"53797","Succinimide, 3-chloro-N-(p-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Chloro-N-(p-methoxyphenyl)succinimide",NA,"COC1=CC=C(C=C1)N2C(=O)CC(C2=O)Cl","UKFITXSLZKBHSN-UHFFFAOYSA-N",99724,NA,"PDBC53797","191909","Present",NA,NA
+"53798","Succinolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Succinolide",NA,"CC1CCCC(=CCCC2(C(O2)CC3C(C1=O)OC(=O)C3=C)C)C","FGMVUGQMSRSYDL-UROCBLQDSA-N",5469752,NA,"PDBC53798","692194","Present",NA,NA
+"53799","Sudan I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC11227///NSC51524",NA,"C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O","MRQIXHXHHPWVIL-UHFFFAOYSA-N",13297,NA,"PDBC53799","11227///51524","Present",NA,NA
+"53800","Sudan II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rot b",NA,"CC1=CC(=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)O)C","JBTHDAVBDKKSRW-UHFFFAOYSA-N",18386,NA,"PDBC53800","10457","Present",NA,NA
+"53801","Sudan III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rot c",NA,"C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O","FHNINJWBTRXEBC-UHFFFAOYSA-N",62331,NA,"PDBC53801","8995","Present",NA,NA
+"53802","Sudan Red B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sudan red b",NA,"CC1=CC(=CC=C1)N=NC2=C(C=C(C=C2)N=NC3=C(C=CC4=CC=CC=C43)O)C","NHXXLZBKTKNTEF-UHFFFAOYSA-N",99631,NA,"PDBC53802","252816","Present",NA,NA
+"53803","Suillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Suillin",NA,"CC(=CCCC(=CCCC(=CCCC(=CCC1=C(C=CC(=C1O)O)OC(=O)C)C)C)C)C","TVYGOMSIBBSIKO-MLAGYPMBSA-N",5387599,NA,"PDBC53803","625110","Present",NA,NA
+"53804","Sulbentine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mecal",NA,"C1N(CSC(=S)N1CC2=CC=CC=C2)CC3=CC=CC=C3","QFVAWNPSRQWSDU-UHFFFAOYSA-N",67686,NA,"PDBC53804","150555","Present",NA,NA
+"53805","Sulconazole nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sulconazole nitrate (usan)",NA,"C1=CC(=CC=C1CSC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl.[N+](=O)(O)[O-]","CRKGMGQUHDNAPB-UHFFFAOYSA-N",65495,NA,"PDBC53805","757849","Present",NA,NA
+"53806","Sulfacytine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"renoquid",NA,"CCN1C=CC(=NC1=O)NS(=O)(=O)C2=CC=C(C=C2)N","SIBQAECNSSQUOD-UHFFFAOYSA-N",5322,NA,"PDBC53806","356717","Present",NA,NA
+"53807","Sulfamethoxazole hydroxylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydroxylamine of sulfamethoxazole [3-(4-hydroxylamino ph...",NA,"CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NO","MJAMPGKHIZXVFJ-UHFFFAOYSA-N",114821,NA,"PDBC53807","665547","Present",NA,NA
+"53808","Sulfanilanilide, 4'-(9-acridinylamino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4'-(9-acridinylamino)sulfanilanilide, monohydrochloride",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NS(=O)(=O)C5=CC=C(C=C5)N","VJNNPHQBMGZVQG-UHFFFAOYSA-N",148802,NA,"PDBC53808","140701","Present",NA,NA
+"53809","Sulfanilic acid, N-(amidinoamidino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: wsqr dmyum&myzum",NA,"C1=CC(=CC=C1N=C(N)N=C(N)N)S(=O)(=O)O","MURZSIQUBHOHPQ-UHFFFAOYSA-N",80819,NA,"PDBC53809","17580","Present",NA,NA
+"53810","Sulfatinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfatinib",NA,"CC1=CC2=C(N1)C=CC(=C2)OC3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)NCCN(C)C","TTZSNFLLYPYKIL-UHFFFAOYSA-N",52920501,NA,"PDBC53810","797937","Present",NA,NA
+"53811","Sulfide,4-dinitrophenyl 2-nitro-p-tolyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sulfide, 2,4-dinitrophenyl 2-nitro-p-tolyl",NA,"CC1=CC(=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]","PZRYEIXLMWQMAM-UHFFFAOYSA-N",259746,NA,"PDBC53811","90137","Present",NA,NA
+"53812","Sulfiram",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfiram",NA,"CCN(CC)C(=S)SC(=S)N(CC)CC","CTPKSRZFJSJGML-UHFFFAOYSA-N",7215,NA,"PDBC53812","36731","Present",NA,NA
+"53813","Sulfonaphtholazoresorcinol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfonaphtholazoresorcinol",NA,"C1=CC=C2C(=C1)C(=CC(=C2N=NC3=C(C=C(C=C3)O)O)O)S(=O)(=O)O","JQBUVPRAKRZKRZ-UHFFFAOYSA-N",85517,NA,"PDBC53813","87862","Present",NA,NA
+"53814","Sulfone, bis(2-bromoethyl)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfone, bis(2-bromoethyl) (8CI)",NA,"C(CBr)S(=O)(=O)CCBr","JASUZIAETLGSCB-UHFFFAOYSA-N",139052,NA,"PDBC53814","84172","Present",NA,NA
+"53815","Sulfonium, salt with 4-methylbenzenesulfonic acid (1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfonium, dimethyltetradecyl-, salt with 4-methylbenzen...",NA,"CCCCCCCCCCCCCC[S+](C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]","XPKKHLWELALBPN-UHFFFAOYSA-M",24194318,NA,"PDBC53815","166616","Present",NA,NA
+"53816","Sulfonyl-bis-N(p-phenylene)-4'-(carboxy)phtalimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfonyl-bis-N(p-phenylene)-4'-(carboxy)phtalimide",NA,"C1=CC(=CC=C1N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O)S(=O)(=O)C4=CC=C(C=C4)N5C(=O)C6=C(C5=O)C=C(C=C6)C(=O)O","JVESSQOPBQIZIV-UHFFFAOYSA-N",363538,NA,"PDBC53816","628499","Present",NA,NA
+"53817","Sulfoquinovoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfoquinovoside",NA,"CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)CS(=O)(=O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC.[Na+]","ZJZCMDVKJVQZOK-UHFFFAOYSA-N",54607989,NA,"PDBC53817","623619","Present",NA,NA
+"53818","Sulfuric acid--(2Z)-5-[2-(dimethylamino)ethoxy]-2-[(1-methyl-5-nitro-1H-imidazol-2-yl)methylidene]-2,3-dihydro-1H-inden-1-one (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Inden-1-one, 5-[2-(dimethylamino)ethoxy]-2,3-dihydro-...",NA,"CN1C(=CN=C1C=C2CC3=C(C2=O)C=CC(=C3)OCCN(C)C)[N+](=O)[O-].OS(=O)(=O)O","PCRONZAAPGAOHT-ALUHPYBCSA-N",54607375,NA,"PDBC53818","277181","Present",NA,NA
+"53819","Sulfuric acid--N~1~,N~1~-diethyl-N~3~-[(2-phenylquinolin-4-yl)methyl]propane-1,3-diamine (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N',N'-Diethyl-N-[(2-phenylquinolin-4-yl)methyl]propane-1,3-diamine;sulfuric acid",NA,"CCN(CC)CCCNCC1=CC(=NC2=CC=CC=C21)C3=CC=CC=C3.OS(=O)(=O)O","SFPDEGBVWNQOSH-UHFFFAOYSA-N",54602013,NA,"PDBC53819","13318","Present",NA,NA
+"53820","Sulfuric acid--N~3~-[(7-chloro-2-phenylquinolin-4-yl)methyl]-N~1~,N~1~-diethylpropane-1,3-diamine (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[(7-Chloro-2-phenylquinolin-4-yl)methyl]-N',N'-diethylpropane-1,3-diamine;sulfuric acid",NA,"CCN(CC)CCCNCC1=CC(=NC2=C1C=CC(=C2)Cl)C3=CC=CC=C3.OS(=O)(=O)O","OQIPMLRHROGRPE-UHFFFAOYSA-N",54609285,NA,"PDBC53820","13317","Present",NA,NA
+"53821","Sulindac-1-(3-butinyl)-ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulindac-1-(3-butinyl)-ester",NA,"CC1=C(C2=C(C1=CC3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)OCCC#C","WNBOCPPZOTXHHM-BKUYFWCQSA-N",5469497,NA,"PDBC53821","689149","Present",NA,NA
+"53822","Sulofenur",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642684///Sulofenur",NA,"C1CC2=C(C1)C=C(C=C2)S(=O)(=O)NC(=O)NC3=CC=C(C=C3)Cl","JQJSFAJISYZPER-UHFFFAOYSA-N",60417,NA,"PDBC53822","642684///656667","Present",NA,NA
+"53823","Sungucin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sungucin",NA,"CC=C1CN2CCC34C2CC1C5C3N(C6=CC=CC=C46)C(=O)C(=C5)C7CC89C1N7CC(=CC)C(C1)C1C8N(C(=O)C=C1)C1=CC=CC=C91","VCDMHIARBYKHSB-JMKAPJPZSA-N",54600645,NA,"PDBC53823","325308","Present",NA,NA
+"53824","Superstolide A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"superstolide a",NA,"CC1C=CC(=CC2C=CC3C(C2(C=CC(=CC=CC(=O)OC1C(C)C(C(C)NC(=O)C)O)C)C)CC(CC3OC(=O)N)OC)C","ZHDISDMFKHVMGN-ZFDTYWKFSA-N",10258400,NA,"PDBC53824","680074","Present",NA,NA
+"53825","Superstolide B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"superstolide b",NA,"CC1C=CC(=CC2C=CC3C(C2(C=CC(=CC=CC(=O)OC1C(=CC(C)NC(=O)C)C)C)C)CC(CC3OC(=O)N)OC)C","MLNSAHTXSCMXCL-LBDGXWEBSA-N",54603534,NA,"PDBC53825","680075","Present",NA,NA
+"53826","Supinoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-(3, 5-dimethoxyphenyl)-N-(7-fluoro-3-methoxyquinoxalin...///RX-5902",NA,"COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)NC3=NC4=C(C=CC(=C4)F)N=C3OC)OC","KAKPGJJRYRYSTP-UHFFFAOYSA-N",11619093,NA,"PDBC53826","779374///793148","Present",NA,NA
+"53827","Suramin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"naganol",NA,"CC1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C","FIAFUQMPZJWCLV-UHFFFAOYSA-N",5361,NA,"PDBC53827","34936","Present",NA,NA
+"53828","Surangin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Surangin C",NA,"CCC(C)C(=O)C1=C(C(=C(C2=C1OC(=O)C=C2C(CC)O)O)CC=C(C)CCC=C(C)C)O","PVNISOOZUQFLJH-FOWTUZBSSA-N",5386468,NA,"PDBC53828","611357","Present",NA,NA
+"53829","Surfen hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-bis(4-amino-2-methylquinolin-6-yl)urea, dihydrochloride",NA,"CC1=CC(=C2C=C(C=CC2=N1)NC(=O)NC3=CC4=C(C=C(N=C4C=C3)C)N)N.Cl","WKWQKPOJSGLGLI-UHFFFAOYSA-N",9909403,NA,"PDBC53829","12155","Present",NA,NA
+"53830","Suvanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Suvanine",NA,"CC1(CCCC2(C1CCC3(C2CCC(=COS(=O)(=O)[O-])C3CCC4=COC=C4)C)C)C.C[N+](=C(N)N)C","MUGYGAQKMRBEQJ-XIQNFGBKSA-N",5459087,NA,"PDBC53830","613010","Present",NA,NA
+"53831","Swainsonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SWAINSONINE",NA,"C1CC(C2C(C(CN2C1)O)O)O","FXUAIOOAOAVCGD-WCTZXXKLSA-N",51683,NA,"PDBC53831","614553","Present",NA,NA
+"53832","Swainsonine-8-alpha-D-glucoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Swainsonine-8-.alpha.-D-glucoside",NA,"C1CC(C2C(C(CN2C1)O)O)OC3C(C(C(C(O3)CO)O)O)O","BPDXJDWXSZCGTM-KKOBTBPCSA-N",6711821,NA,"PDBC53832","643928","Present",NA,NA
+"53833","Swazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Swazine",NA,"CC1C(=C)C(=O)OC2CCN3C2C(=CC3)COC(=O)C(C14CO4)(C)O","WRPOYLQBTYIKSB-UHFFFAOYSA-N",279070,NA,"PDBC53833","129230","Present",NA,NA
+"53834","Sydnone, 3,3'-tetramethylenedi- (8CI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sydnone, 3,3'-tetramethylenedi- (8CI)",NA,"C1=C(ON=[N+]1CCCC[N+]2=NOC(=C2)[O-])[O-]","VQGVXYMXWMPEBD-UHFFFAOYSA-N",543701,NA,"PDBC53834","54672","Present",NA,NA
+"53835","Sylvaticin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sylvaticin",NA,"CCCCCCCCCCC(C1CCC(O1)C(CCC(C2CCC(O2)CCCCCCCC(CC3=CC(OC3=O)C)O)O)O)O","HKMBLJVHVBJAIH-PNBHAQCBSA-N",393473,NA,"PDBC53835","695406","Present",NA,NA
+"53836","Symetamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SYMETAMINE",NA,"CN=C(C1=CC=C(C=C1)N=C(C2=CC=C(C=C2)C(=NC3=CC=C(C=C3)C(=NC)N)N)N)N.Cl","FZDQLVGKBSJVPZ-UHFFFAOYSA-N",24186993,NA,"PDBC53836","57155","Present",NA,NA
+"53837","Synergin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Synergin",NA,NA,NA,NA,NA,NA,"PDBC53837",NA,"Absent",NA,NA
+"53838","T-2 Mycotoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"insariotoxin",NA,"CC1=CC2C(CC1OC(=O)CC(C)C)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C","BXFOFFBJRFZBQZ-PPFYZKLNSA-N",6711181,NA,"PDBC53838","138780","Present",NA,NA
+"53839","T5741887",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"T5741887",NA,"C1C2=CC=CC=C2C(=O)C1=CC3=CC=CC=C3[N+](=O)[O-]","CVCZIDNJPIBPLJ-JLHYYAGUSA-N",2697149,NA,"PDBC53839","150220","Present",NA,NA
+"53840","TAK Plk inhibitor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAK Plk inhibitor",NA,"CCC1C2=C(N=CN2C3=CN=C(N=C3N1C4CCCC4)NC5=C(C=C(C=C5)C(=O)NC6CCN(CC6)C7CCN(CC7)CC8CC8)OC)C#N","JYNWIXVRZLBHGY-JGCGQSQUSA-N",59252140,NA,"PDBC53840","762418","Present",NA,NA
+"53841","TAK-960",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAK-960",NA,"CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC","GWRSATNRNFYMDI-UHFFFAOYSA-N",53357478,NA,"PDBC53841","768072","Present",NA,NA
+"53842","TAS-115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAS-115",NA,"CNC(=O)C1=CC2=C(C=CN=C2C=C1OC)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)F","ORRNXRYWGDUDOG-UHFFFAOYSA-N",44247727,NA,"PDBC53842","785306","Present",NA,NA
+"53843","TAS-115 hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAS-115 hydrochloride",NA,NA,NA,NA,NA,"PDBC53843","785307","Present",NA,NA
+"53844","TAS-6417",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAS-6417",NA,"CC1=CC(CN2C1=C(C3=C(N=CN=C32)N)C4=CC5=CC=CC=C5N=C4)NC(=O)C=C","MKCYPWYURWOKST-INIZCTEOSA-N",117918742,NA,"PDBC53844","812926","Present",NA,NA
+"53845","TC-172438",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TC-172438",NA,"C1=CSC(=C1)C=CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]","QZLINQZBUKTXIZ-BQYQJAHWSA-N",5377530,NA,"PDBC53845","657760","Present",NA,NA
+"53846","TC3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TC3",NA,"CC(C1CCC2C1(CCC3C2C4C(O4)C5(C3(C(=O)C=CC5)C)O)C)C6CC7(C(O7)(C(=O)O6)C)C","HMAKYIOVUKVWAW-UGJTWAQDSA-N",398798,NA,"PDBC53846","708934","Present",NA,NA
+"53847","TC6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TC6",NA,"CC(C1CCC2C1(CCC3C2C4C(O4)C5(C3(C(=O)C=CC5)C)O)C)C6CC(C(C(O6)O)(C)O)(C)O","NQCJXUPNOLFUAM-JFCRYMRPSA-N",398799,NA,"PDBC53847","708935","Present",NA,NA
+"53848","TCMDC-123481",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TCMDC-123481",NA,"C1C2CC3CC1CC(C2)(C3)NC(=O)C(=O)C4=CNC5=CC=CC=C54","HRZIUWCIBGIRCS-UHFFFAOYSA-N",364462,NA,"PDBC53848","630723","Present",NA,NA
+"53849","TCMDC-124122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TCMDC-124122",NA,"CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C3=CC=CC=C3)CN4CCCC4","CRHJORBLGKSOEK-UHFFFAOYSA-N",403088,NA,"PDBC53849","717560","Present",NA,NA
+"53850","TCMDC-142279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TCMDC-142279",NA,"CCCCN(CCCC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl","DWVWLXMHPSALFO-UHFFFAOYSA-N",459702,NA,"PDBC53850","13055","Present",NA,NA
+"53851","TDP-665759",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TDP-665759",NA,"CC(C1=C(C=C(C=C1)Cl)N)N2C(C(=O)N(C3=C(C2=O)C=C(C=C3)I)CCCN4CCN(CC4)C)C5=CC=C(C=C5)Cl","NUKCQDDVORQLDB-OLILMLBXSA-N",11571200,NA,"PDBC53851","754358","Present",NA,NA
+"53852","TETRACENOMYCIN C, HEXY-CARBONYL-ALANYL-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TETRACENOMYCIN C, HEXY-CARBONYL-ALANYL-",NA,NA,NA,NA,NA,"PDBC53852","354439","Present",NA,NA
+"53853","TEUPENSIN",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TEUPENSIN",NA,NA,NA,NA,NA,"PDBC53853","353849","Present",NA,NA
+"53854","TEX",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TEX",NA,"C12C3N(C4C(N1[N+](=O)[O-])OC(O4)C(O2)O3)[N+](=O)[O-]","XXEQEMFCUFXLME-UHFFFAOYSA-N",370572,NA,"PDBC53854","643817","Present",NA,NA
+"53855","TG-100801",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TG-100801",NA,"CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)Cl","JMGXJHWTVBGOKG-UHFFFAOYSA-N",11973736,NA,"PDBC53855","800948","Present",NA,NA
+"53856","TGF .beta.1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TGF .beta.1",NA,NA,NA,NA,NA,"PDBC53856","627480","Present",NA,NA
+"53857","TGF.alpha.-PE40",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TGF.alpha.-PE40",NA,NA,NA,NA,NA,"PDBC53857","623436","Present",NA,NA
+"53858","TGG-II-33A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TGG-II-33A",NA,"CC1(COC(=N1)C2(C3=CC=CC=C3C(=O)C=C2OC)C)C","NCSACWQKNNBSQT-UHFFFAOYSA-N",370783,NA,"PDBC53858","644306","Present",NA,NA
+"53859","TGG-II-45A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TGG-II-45A",NA,"CC(C)C1=CC(=O)C(C2=CC=CC=C21)(C)C3=NC(CO3)(C)C","DZQZKIGAIWYMGM-UHFFFAOYSA-N",370784,NA,"PDBC53859","644307","Present",NA,NA
+"53860","TGG-II-45B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TGG-II-45B",NA,"CC1(COC(=N1)C2(C3=CC=CC=C3C(=CC2=O)C4=CC=CC=C4)C)C","VYLXWWMRTUUXCA-UHFFFAOYSA-N",370787,NA,"PDBC53860","644310","Present",NA,NA
+"53861","THIAZOLE DERIVATIVE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"THIAZOLE DERIVATIVE",NA,"C1=C(C(=CC(=C1F)Cl)Cl)C2=CSC3=NNC(=S)N23","CNQUCORFUAJDRF-UHFFFAOYSA-N",24203525,NA,"PDBC53861","728433","Present",NA,NA
+"53862","THOS Streptonigrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ipas",NA,"CC1=C(C(=C(N=C1C(=O)O)C2=NC3=C(C=C2)C(=C(C4=NC(N=C34)(C)C)OC)O)N)C5=C(C(=C(C=C5)OC)OC)O","SQQXRXKYTKFFSM-UHFFFAOYSA-N",247673,NA,"PDBC53862","62709","Present",NA,NA
+"53863","THP-adriamycin HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pirarubicin hcl",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC6CCCCO6.Cl","ZPHYPKKFSHAVOE-XFQXKDBGSA-N",11970024,NA,"PDBC53863","654509","Present",NA,NA
+"53864","THZ-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"THZ-1",NA,"CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC=CC(=C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl","OBJNFLYHUXWUPF-IZZDOVSWSA-N",73602827,NA,"PDBC53864","825089","Present",NA,NA
+"53865","THZ-531 HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"THZ-531 HCl",NA,"CN(C)CC=CC(=O)NC1=CC=C(C=C1)C(=O)N2CCCC(C2)NC3=NC=C(C(=N3)C4=CNC5=CC=CC=C54)Cl","RUBYHLPRZRMTJO-MOVYNIQHSA-N",118025540,NA,"PDBC53865","821656","Present",NA,NA
+"53866","TILIACORININ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TILIACORININ",NA,"CN1CCC2=CC3=C4C=C2C1CC5=CC(=C(C=C5)O)C6=C(C=C(CC7C8=C(O4)C(=C(C=C8CCN7C)OC)O3)C=C6)OC","PQJUAFOFVNRFTF-UHFFFAOYSA-N",435969,NA,"PDBC53866","379957","Present",NA,NA
+"53867","TOB-13",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TOB-13",NA,"CC1(C2=C(CCN1)C3=CC=CC=C3N2)C(=O)OC","SKAHIUROFYZNQA-UHFFFAOYSA-N",149110,NA,"PDBC53867","647143","Present",NA,NA
+"53868","TOD100912",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TOD100912",NA,"CC1=CC=C(C=C1)NC(=O)CCC2=NNC(=S)O2","KJLLPJHOFKZHDT-UHFFFAOYSA-N",3004209,NA,"PDBC53868","636110","Present",NA,NA
+"53869","TP-0903",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TP-0903",NA,"CN1CCN(CC1)CC2=CC=C(C=C2)NC3=NC=C(C(=N3)NC4=CC=CC=C4S(=O)(=O)N(C)C)Cl","YUAALFPUEOYPNX-UHFFFAOYSA-N",56839178,NA,"PDBC53869","798200","Present",NA,NA
+"53870","TP-3654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TP-3654",NA,"CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O","XRNVABDYQLHODA-UHFFFAOYSA-N",66598080,NA,"PDBC53870","805149","Present",NA,NA
+"53871","TP-Saponins",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TP-Saponins",NA,NA,NA,NA,NA,"PDBC53871","639636","Present",NA,NA
+"53872","TP38-279",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TP38-279",NA,NA,NA,NA,NA,"PDBC53872","676496","Present",NA,NA
+"53873","TP4EK",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TP4EK",NA,NA,NA,NA,NA,"PDBC53873","676497","Present",NA,NA
+"53874","TP4EK-K6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TP4EK-K6",NA,NA,NA,NA,NA,"PDBC53874","676498","Present",NA,NA
+"53875","TPP(4-Cl)4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TPP(4-Cl)4",NA,"C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)Cl)C8=CC=C(C=C8)Cl)C=C4)C9=CC=C(C=C9)Cl)N3)Cl","KLMHOLCGHWVPMP-UHFFFAOYSA-N",135403279,NA,"PDBC53875","670858","Present",NA,NA
+"53876","TRENCAM",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRENCAM",NA,"C1=CC(=C(C(=C1)O)O)C(=O)NCCN(CCNC(=O)C2=C(C(=CC=C2)O)O)CCNC(=O)C3=C(C(=CC=C3)O)O","ZSTXLRNCUHUSRX-UHFFFAOYSA-N",391974,NA,"PDBC53876","691696","Present",NA,NA
+"53877","TUVGMWBBMPIYOD-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TUVGMWBBMPIYOD-UHFFFAOYSA-N",NA,"CC1=CC(=C(C=C1C(=O)CC2=CC(=C(C=C2)OC)OC)OC)OC","TUVGMWBBMPIYOD-UHFFFAOYSA-N",371217,NA,"PDBC53877","645266","Present",NA,NA
+"53878","TYUUFIAXAXBDLC-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TYUUFIAXAXBDLC-UHFFFAOYSA-N",NA,"CCOC(=O)C(C(F)(F)F)(NC1=NC=CC=N1)NC(=O)OCC","TYUUFIAXAXBDLC-UHFFFAOYSA-N",383677,NA,"PDBC53878","672095","Present",NA,NA
+"53879","Tabernemontanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tabernaemontanin",NA,"CCC1CN(C2CC3=C(C(=O)CC1C2C(=O)OC)NC4=CC=CC=C34)C","FFVRRQMGGGTQRH-LHYGDETCSA-N",5351950,NA,"PDBC53879","108088","Present",NA,NA
+"53880","Tacacoside A1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tacacoside A1",NA,"CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC4C(C(CO4)(CO)O)O)O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)C)(CCC1C9(CC(C(C1(C)CO)OC1C(C(C(C(O1)CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","JSJJUWYDWWCPIF-WVGPRIIESA-N",6712618,NA,"PDBC53880","700652","Present",NA,NA
+"53881","Tacacoside A2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tacacoside A2",NA,"CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC4C(C(C(CO4)O)O)O)O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)C)(CCC1C9(CC(C(C1(C)CO)OC1C(C(C(C(O1)CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","LMHKFUJAONTLDV-DXZDLGIZSA-N",6712615,NA,"PDBC53881","700649","Present",NA,NA
+"53882","Tacacoside B1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tacacoside B1",NA,"CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC4C(C(CO4)(CO)O)O)O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)C)(CCC1C9(CC(C(C1(C)CO)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","IRYCPRPAUYTFMP-DSAJIMBISA-N",6712616,NA,"PDBC53882","700650","Present",NA,NA
+"53883","Tacacoside B2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tacacoside B2",NA,"CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3OC4C(C(C(CO4)O)O)O)O)OC5C(C(COC5OC(=O)C67CCC(CC6C8=CCC9C(C8(CC7)C)(CCC1C9(CC(C(C1(C)CO)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","KJAJLLNLFXDVRA-LFUNVFJASA-N",6712619,NA,"PDBC53883","700653","Present",NA,NA
+"53884","Tacacoside B3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tacacoside B3",NA,"CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3O)O)OC4C(C(COC4OC(=O)C56CCC(CC5C7=CCC8C(C7(CC6)C)(CCC9C8(CC(C(C9(C)CO)OC1C(C(C(C(O1)CO)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","IJDAOOSUFFVHNO-JWLDRXIMSA-N",6712620,NA,"PDBC53884","700654","Present",NA,NA
+"53885","Tacacoside C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tacacoside C",NA,"CC1C(C(C(C(O1)OC2C(COC(C2O)OC3C(OC(C(C3O)O)OC4C(C(COC4OC(=O)C56CCC(CC5C7=CCC8C(C7(CC6)C)(CCC9C8(CC(C(C9(C)CO)OC1C(C(C(C(O1)CO)O)O)O)O)C)C)(C)C)O)O)C)O)O)O)O","QUDWGSBCPFWXSW-VLPSKLRTSA-N",6712617,NA,"PDBC53885","700651","Present",NA,NA
+"53886","Tachpyr",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tachpyr",NA,"C1C(CC(CC1NCC2=CC=CC=N2)NCC3=CC=CC=N3)NCC4=CC=CC=N4","ILHFCLNOTOJYHF-UHFFFAOYSA-N",399175,NA,"PDBC53886","709598","Present",NA,NA
+"53887","Taiwanoside B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taiwanoside B",NA,"CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4O)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C)C)C)C)C)OC)O","HTIAXOKKJSQNIG-DVJDOZRASA-N",388994,NA,"PDBC53887","684426","Present",NA,NA
+"53888","Taiwanoside C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taiwanoside C",NA,"CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C)C)C)C)C)OC)O","LEQNEABVKZQJMW-CVTJNRBCSA-N",388995,NA,"PDBC53888","684427","Present",NA,NA
+"53889","Taiwanoside D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taiwanoside D",NA,"CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4O)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C=CC9=CC=CC=C9)C)C)C)C)OC)O","NYJIMZRTBXHQKC-QQJUKXCMSA-N",5469230,NA,"PDBC53889","684428","Present",NA,NA
+"53890","Tak-243",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"MLN-7243",NA,"C1C(C(C(C1NC2=CC=NC3=CC(=NN23)C4=CC(=CC=C4)SC(F)(F)F)O)O)COS(=O)(=O)N","KJDAGXLMHXUAGV-DGWLBADLSA-N",71715374,NA,"PDBC53890","785004","Present",NA,NA
+"53891","Tak-441",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAK-441",NA,"CCC1=CC2=C(C(=C(N2C)C(=O)NC3CCN(CC3)C(=O)CO)OCC(F)(F)F)C(=O)N1CC(=O)C4=CC=CC=C4","ZADWXQMNNVICKB-UHFFFAOYSA-N",44187367,NA,"PDBC53891","771858","Present",NA,NA
+"53892","Tak-593",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAK-593",NA,"CC1=C(C=C(C=C1)OC2=NN3C=C(N=C3C=C2)NC(=O)C4CC4)NC(=O)C5=CC(=NN5C)C","DZFZXPPHBWCXPQ-UHFFFAOYSA-N",24767976,NA,"PDBC53892","800939","Present",NA,NA
+"53893","Taka New No.-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taka New No.-1",NA,NA,NA,NA,NA,"PDBC53893","640157","Present",NA,NA
+"53894","Taka New No.-2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taka New No.-2",NA,NA,NA,NA,NA,"PDBC53894","640158","Present",NA,NA
+"53895","Taladegib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LY-2940680",NA,"CN1C(=CC=N1)C2=NN=C(C3=CC=CC=C32)N4CCC(CC4)N(C)C(=O)C5=C(C=C(C=C5)F)C(F)(F)F","SZBGQDXLNMELTB-UHFFFAOYSA-N",49848070,NA,"PDBC53895","767896","Present",NA,NA
+"53896","Tambjamine I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tambjamine I",NA,"CC(C)CN=CC1=C(C=C(N1)C2=CC=C(N2)Br)OC","GGAUCNJADPWCIJ-UHFFFAOYSA-N",381030,NA,"PDBC53896","667051","Present",NA,NA
+"53897","Taminadenant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taminadenant",NA,"C1=CN(N=C1)C2=NC(=NC(=C2Br)N)N3C=CC=N3","ATFXVNUWQOXRRU-UHFFFAOYSA-N",53466958,NA,"PDBC53897","817041","Present",NA,NA
+"53898","Tamoxifen methiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyltamoxifen iodide",NA,"CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCC[N+](C)(C)C)C3=CC=CC=C3.[I-]","PXJJOGITBQXZEQ-JTHROIFXSA-M",3033898,NA,"PDBC53898","630510","Present",NA,NA
+"53899","Tanacetol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tanacetol",NA,"CC1=CC(CC(=C)C(CC(CC1)C(C)(C)O)O)OC(=O)C","WAGDOKQHNWIHJF-FLIBITNWSA-N",5478028,NA,"PDBC53899","376681","Present",NA,NA
+"53900","Tanakan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"arolen",NA,"CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl.OP(=O)(O)O","AEUAEICGCMSYCQ-UHFFFAOYSA-N",83818,NA,"PDBC53900","14050","Present",NA,NA
+"53901","Tangeretin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tangeritin",NA,"COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC","ULSUXBXHSYSGDT-UHFFFAOYSA-N",68077,NA,"PDBC53901","53909","Present",NA,NA
+"53902","Tannic acid (TN)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"D-Glucopyranose, pentakis[3,4-dihydroxy-5-[(3,4,5-trihyd...",NA,"C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OCC3C(C(C(C(O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O","LRBQNJMCXXYXIU-UHFFFAOYSA-N",16129878,NA,"PDBC53902","5031","Present",NA,NA
+"53903","Tanshinone IIA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phenanthro[1,2-b]furan-10,11-dione, 6,7,8,9-tetrahydro-1...",NA,"CC1=COC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C","HYXITZLLTYIPOF-UHFFFAOYSA-N",164676,NA,"PDBC53903","686519","Present",NA,NA
+"53904","Taraxast-20(30)-ene-3beta,16beta-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Arnidiol",NA,"CC1C2C3CCC4C5(CCC(C(C5CCC4(C3(CC(C2(CCC1=C)C)O)C)C)(C)C)O)C","IOPDFSGGBHSXSV-ZPWDLUOLSA-N",397932,NA,"PDBC53904","707000","Present",NA,NA
+"53905","Tarenflurbil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"R-Flurbiprofen",NA,"CC(C1=CC(=C(C=C1)C2=CC=CC=C2)F)C(=O)O","SYTBZMRGLBWNTM-SNVBAGLBSA-N",92337,NA,"PDBC53905","685699","Present",NA,NA
+"53906","Targegen B-Raf/PDGFR inhibitor Cpd 6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Targegen B-Raf/PDGFR inhibitor Cpd 6",NA,"CSC1=NC(=CC(=N1)OC2=CC=C(C=C2)C3=NC(=NN3)NC4=CC=CC(=C4)C(F)(F)F)N","CMYHZFCJPORPHY-UHFFFAOYSA-N",53328059,NA,"PDBC53906","754364","Present",NA,NA
+"53907","Tartaric acid, monopotassium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"faecla",NA,"C(C(C(=O)O)O)(C(=O)O)O.[K+]","KYKNRZGSIGMXFH-UHFFFAOYSA-N",9836981,NA,"PDBC53907","155080","Present",NA,NA
+"53908","Tas-116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAS-116",NA,"CCC1=C(C=CC(=C1)C(=O)N)N2C3=NC=CC(=C3C(=N2)C(C)C)N4C=C(N=C4)C5=CN(N=C5)C","NVVPMZUGELHVMH-UHFFFAOYSA-N",67501411,NA,"PDBC53908","780204","Present",NA,NA
+"53909","Taspine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taspine",NA,"CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC","MTAWKURMWOXCEO-UHFFFAOYSA-N",215159,NA,"PDBC53909","688259","Present",NA,NA
+"53910","Taurine,7alpha-dihydroxy-5beta-cholan-24-oyl)-sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"taurochenodeoxycholic acid (6ci)",NA,"CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C.[Na+]","IYPNVUSIMGAJFC-HLEJRKHJSA-N",54608447,NA,"PDBC53910","681055","Present",NA,NA
+"53911","Taurolithocholic acid (6CI, 7CI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"taurolithocholic acid (6ci, 7ci)",NA,"CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C.[Na+]","YAERYJYXPRIDTO-HRHHVWJRSA-N",54608445,NA,"PDBC53911","681057","Present",NA,NA
+"53912","Taxchinin-A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taxchinin-A",NA,"CC1=C2C(C(C3(C(CC(C(=C)C3C(C2(CC1O)C(C)(C)O)OC(=O)C)O)OC(=O)C)C)OC(=O)C)OC(=O)C4=CC=CC=C4","VETCXRGMQJYOHM-JMXHMTBUSA-N",380229,NA,"PDBC53912","665705","Present",NA,NA
+"53913","Taxifolin 6 C-glucoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taxifolin 6 C-glucoside",NA,"CC1C(OC2=C(C1=O)C(=C(C(=C2)O)C3C(C(C(C(O3)CO)O)O)O)O)C4=CC(=C(C=C4)O)O","LLUXQXAZCRDFQO-MSUKOQTKSA-N",362480,NA,"PDBC53913","626436","Present",NA,NA
+"53914","Taxine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taxine A",NA,"CC1=C2C(C(=O)C3(CC(=CC(C(C2(C)C)CC1OC(=O)C)OC(=O)C)C(CC3O)OC(=O)C(C(C4=CC=CC=C4)N(C)C)O)C)O","KOTXAHKUCAQPQA-MCBQMXOVSA-N",5281829,NA,"PDBC53914","674284","Present",NA,NA
+"53915","Taylor D",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taylor D",NA,"CC1C2CCC(=O)C3(CCCC(C3CC(C(=C2)C1=O)O)(C)C)C","ZMAJCXMARYPQHM-DBKKVMMFSA-N",394229,NA,"PDBC53915","697529","Present",NA,NA
+"53916","Taylor E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Taylor E",NA,"CC1(CCCC2(C1CC(C3=CC(CC(C2=O)O)C(=C)C3=O)O)C)C","MVMJWFDNKYVKQT-SBFGLHDKSA-N",394230,NA,"PDBC53916","697530","Present",NA,NA
+"53917","Teferdine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Teferdine",NA,"CC1=CCC2(CCC(C2C(C1)OC(=O)C3=CC=CC=C3)(C(C)C)O)C","YOLDXKHOBUWSGX-NZUHHQEFSA-N",389015,NA,"PDBC53917","684504","Present",NA,NA
+"53918","Teferin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Teferin",NA,"CC1=CCC2(CCC(C2C(C1)OC(=O)C3=CC(=C(C=C3)O)OC)(C(C)C)O)C","YEQVRBJRNFLOQJ-AEDUHMMZSA-N",389016,NA,"PDBC53918","684505","Present",NA,NA
+"53919","Tegavivint",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(9E,10E)-2,7-bis(((3S,5R)-3,5-dimethylpiperidin-1-yl)sul...",NA,"CC1CC(CN(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=C4C=CC(=CC4=C3N=O)S(=O)(=O)N5CC(CC(C5)C)C)NO)C","OMWCXCBGEFHCTN-FGYAAKKASA-N",46212391,NA,"PDBC53919","785527","Present",NA,NA
+"53920","Teglarinad",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Teglarinad",NA,"COCCOCCOCCOCCOC(=O)OC[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N","RXXJCNMVVRGOJB-UHFFFAOYSA-O",9961435,NA,"PDBC53920","761189","Present",NA,NA
+"53921","Tehranolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tehranolide",NA,"CC1C2CCC3(C(CCC34CC(C2OC1=O)(OO4)O)O)C","UKBRRPFBNDFXGR-PLTKTJNRSA-N",6711941,NA,"PDBC53921","647625","Present",NA,NA
+"53922","Telaglenastat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CB-839",NA,"C1=CC=NC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)OC(F)(F)F","PRAAPINBUWJLGA-UHFFFAOYSA-N",71577426,NA,"PDBC53922","783415","Present",NA,NA
+"53923","Tellurium, trichloro[1,2-hexanedioato(2-)-O,O']-, ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tellurium, trichloro[1,2-hexanedioato(2-)-O,O']-, ammonium",NA,NA,NA,NA,NA,"PDBC53923","641009","Present",NA,NA
+"53924","Telmisartan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"telmisartan (usan)",NA,"CCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C=C(C=C2C)C5=NC6=CC=CC=C6N5C","RMMXLENWKUUMAY-UHFFFAOYSA-N",65999,NA,"PDBC53924","759811","Present",NA,NA
+"53925","Tembamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tembamide",NA,"COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)O","NICURWGAEFHESQ-UHFFFAOYSA-N",177583,NA,"PDBC53925","114783","Present",NA,NA
+"53926","Tenalisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tenalisib",NA,"CCC(C1=C(C(=O)C2=CC=CC=C2O1)C3=CC(=CC=C3)F)NC4=NC=NC5=C4NC=N5","HDXDQPRPFRKGKZ-INIZCTEOSA-N",86291103,NA,"PDBC53926","803014","Present",NA,NA
+"53927","Tenellin camphanic acid ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tenellin camphanic acid ester",NA,"CCC(C)C=C(C)C=CC(=O)C1=C(C(=CN(C1=O)O)C2=CC=C(C=C2)OC(=O)C34CCC(C3(C)C)(C(=O)O4)C)O","KMSZAFGXIAVAJT-BYNLOMPOSA-N",60148212,NA,"PDBC53927","753978","Present",NA,NA
+"53928","Tenovin-6 derivat A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tenovin-6 derivat A",NA,NA,NA,NA,NA,NA,"PDBC53928",NA,"Absent",NA,NA
+"53929","Tenovin-6 derivat B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tenovin-6 derivat B",NA,NA,NA,NA,NA,NA,"PDBC53929",NA,"Absent",NA,NA
+"53930","Tenuazonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tenuazonic acid",NA,"CCC(C)C1C(=O)C(=C(C)O)C(=O)N1","CGMTUJFWROPELF-VKVCYUIGSA-N",135510136,NA,"PDBC53930","638261","Present",NA,NA
+"53931","Tenulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tenulin",NA,"CC1CC2C3C(C4(C1C=CC4=O)C)OC(C3(C(=O)O2)C)(C)O","CNIULSUYTFOEHN-MEBIVNBJSA-N",227830,NA,"PDBC53931","19942","Present",NA,NA
+"53932","Tenylidone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vanitile",NA,"C1CC(=CC2=CC=CS2)C(=O)C(=CC3=CC=CS3)C1","KHXBULXCCPIELT-DCIPZJNNSA-N",1550999,NA,"PDBC53932","54902","Present",NA,NA
+"53933","Tepotinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tepotinib",NA,"CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N","AHYMHWXQRWRBKT-UHFFFAOYSA-N",25171648,NA,"PDBC53933","758244","Present",NA,NA
+"53934","Terbium polyoxy metalate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Terbium polyoxy metalate",NA,NA,NA,NA,NA,"PDBC53934","622102","Present",NA,NA
+"53935","Terephthalohydroxamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Terephthalodihydroxamic acid",NA,"C1=CC(=CC=C1C(=O)NO)C(=O)NO","YAJCYOUHZABXFT-UHFFFAOYSA-N",88356,NA,"PDBC53935","129408","Present",NA,NA
+"53936","Terpin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Terpin (VAN)",NA,"CC1(CCC(CC1)C(C)(C)O)O","RBNWAMSGVWEHFP-UHFFFAOYSA-N",6651,NA,"PDBC53936","403856","Present",NA,NA
+"53937","Terpyridine platinum(II) purine complex, tetrafluorobora...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Terpyridine platinum(II) purine complex, tetrafluorobora...",NA,NA,NA,NA,NA,"PDBC53937","742150","Present",NA,NA
+"53938","Terrein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Terrein",NA,"CC=CC1=CC(=O)C(C1O)O","MHOOPNKRBMHHEC-NSCUHMNNSA-N",5372499,NA,"PDBC53938","291308","Present",NA,NA
+"53939","Tert-Butyl (2-oxopropyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EBD37858",NA,"CC(=O)CNC(=O)OC(C)(C)C","OZGMUQGCAFEQOX-UHFFFAOYSA-N",357955,NA,"PDBC53939","617629","Present",NA,NA
+"53940","Tert-Butyl (4-(((methoxyimino)(2-(tritylamino)-1,3-thiazol-4-yl)acetyl)amino)-4H-1lambda~5~,2,4-triazol-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1Z,2Z)-2-Methoxyimino-N-[1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2,4-triazol-4-ium-4-yl]-2-[2-(tritylamino)-1,3-thiazol-4-yl]ethanimidate",NA,"CC(C)(C)OC(=O)CN1C=[N+](C=N1)N=C(C(=NOC)C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)[O-]","SUPCNMXYERLOFT-ZDNCSJAVSA-N",9571435,NA,"PDBC53940","660849","Present",NA,NA
+"53941","Tert-Butyl (4-((phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl (4-((phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate",NA,"CC(C)(C)OC(=O)CN1C(=S)N(C=N1)NC(=O)CC2=CC=CC=C2","OEDIASVDYKSZEP-UHFFFAOYSA-N",378427,NA,"PDBC53941","660846","Present",NA,NA
+"53942","Tert-Butyl (4-(methyl(phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl (4-(methyl(phenylacetyl)amino)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetate",NA,"CC(C)(C)OC(=O)CN1C(=S)N(C=N1)N(C)C(=O)CC2=CC=CC=C2","TWAYFGHIZOUKNJ-UHFFFAOYSA-N",378428,NA,"PDBC53942","660847","Present",NA,NA
+"53943","Tert-Butyl (mesitylsulfonyl)oxycarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ACT09602",NA,"CC1=CC(=C(C(=C1)C)S(=O)(=O)ONC(=O)OC(C)(C)C)C","WVMDSNGINQNHLN-UHFFFAOYSA-N",359285,NA,"PDBC53943","620029","Present",NA,NA
+"53944","Tert-Butyl 1-(((1-(4-(hydroxy(oxido)amino)benzyl)-2-((2-(methylamino)-2-oxoethyl)amino)-2-oxoethyl)amino)carbonyl)-4-(methylamino)-4-oxobutylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[5-(methylamino)-1-[[1-[[2-(methylamino)-2-oxoethyl]amino]-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate",NA,"CC(C)(C)OC(=O)NC(CCC(=O)NC)C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)NC","SJVUOGDIUJCWIF-UHFFFAOYSA-N",382248,NA,"PDBC53944","669703","Present",NA,NA
+"53945","Tert-Butyl 1-(((1-(aminocarbonyl)-3-(benzyloxy)propyl)amino)carbonyl)-3-methylbutylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 1-(((1-(aminocarbonyl)-3-(benzyloxy)propyl)amino)carbonyl)-3-methylbutylcarbamate",NA,"CC(C)CC(C(=O)NC(CCOCC1=CC=CC=C1)C(=O)N)NC(=O)OC(C)(C)C","PCGNKQZUOUFHKU-UHFFFAOYSA-N",382707,NA,"PDBC53945","670355","Present",NA,NA
+"53946","Tert-Butyl 1-(((1-(aminocarbonyl)-3-methoxypropyl)amino)carbonyl)-3-methylbutylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 1-(((1-(aminocarbonyl)-3-methoxypropyl)amino)carbonyl)-3-methylbutylcarbamate",NA,"CC(C)CC(C(=O)NC(CCOC)C(=O)N)NC(=O)OC(C)(C)C","ZPNGEZVLRVKUJQ-UHFFFAOYSA-N",386871,NA,"PDBC53946","679686","Present",NA,NA
+"53947","Tert-Butyl 1-(((2-((2-((2,5-dioxo-1-pyrrolidinyl)oxy)-2-oxoethyl)amino)-1-methyl-2-oxoethyl)amino)carbonyl)-2-methylpropylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2,5-Dioxopyrrolidin-1-yl) 2-[2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propanoylamino]acetate",NA,"CC(C)C(C(=O)NC(C)C(=O)NCC(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C","ARDMBADUZSGEQZ-UHFFFAOYSA-N",381444,NA,"PDBC53947","668032","Present",NA,NA
+"53948","Tert-Butyl 1-(((2-((4-((2-((2-((tert-butoxycarbonyl)amino)-4-(methylthio)butanoyl)amino)ethyl)amino)-9,10-dioxo-9,10-dihydro-1-anthracenyl)amino)ethyl)amino)carbonyl)-3-(methylthio)propylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-[2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamate",NA,"CC(C)(C)OC(=O)NC(CCSC)C(=O)NCCNC1=C2C(=C(C=C1)NCCNC(=O)C(CCSC)NC(=O)OC(C)(C)C)C(=O)C3=CC=CC=C3C2=O","ZQYDFBSKVDYAMJ-UHFFFAOYSA-N",438925,NA,"PDBC53948","684441","Present",NA,NA
+"53949","Tert-Butyl 1-((4-((4-(2,3-dihydro[1,3]thiazolo[2,3-a]isoindol-5-yl)-6-fluoro-1,3,5-triazin-2-yl)amino)anilino)carbonyl)-3-methylbutylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-[4-[[4-(2,3-dihydro-[1,3]thiazolo[2,3-a]isoindol-5-yl)-6-fluoro-1,3,5-triazin-2-yl]amino]anilino]-4-methyl-1-oxopentan-2-yl]carbamate",NA,"CC(C)CC(C(=O)NC1=CC=C(C=C1)NC2=NC(=NC(=N2)C3=C4C=CC=CC4=C5N3CCS5)F)NC(=O)OC(C)(C)C","ZHNPXYASIJHQME-UHFFFAOYSA-N",373235,NA,"PDBC53949","649242","Present",NA,NA
+"53950","Tert-Butyl 1-((4-((4-fluoro-6-(2-methyl-2H-isoindol-1-yl)-1,3,5-triazin-2-yl)amino)anilino)carbonyl)-3-methylbutylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-[4-[[4-fluoro-6-(2-methylisoindol-1-yl)-1,3,5-triazin-2-yl]amino]anilino]-4-methyl-1-oxopentan-2-yl]carbamate",NA,"CC(C)CC(C(=O)NC1=CC=C(C=C1)NC2=NC(=NC(=N2)C3=C4C=CC=CC4=CN3C)F)NC(=O)OC(C)(C)C","FDJLXSPYFNUPLA-UHFFFAOYSA-N",373233,NA,"PDBC53950","649240","Present",NA,NA
+"53951","Tert-Butyl 1-(4-tert-butoxybenzyl)-2-((2,5-dibenzyl-13-isobutyl-4,7,12,14-tetraoxo-1,3,6,11-tetraazacyclotetradecan-8-yl)amino)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-[[2,5-dibenzyl-13-(2-methylpropyl)-4,7,12,14-tetraoxo-1,3,6,11-tetrazacyclotetradec-8-yl]amino]-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1-oxopropan-2-yl]carbamate",NA,"CC(C)CC1C(=O)NCCC(C(=O)NC(C(=O)NC(NC1=O)CC2=CC=CC=C2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)OC(C)(C)C)NC(=O)OC(C)(C)C","FIFDQVYEDNVCBA-UHFFFAOYSA-N",495913,NA,"PDBC53951","672670","Present",NA,NA
+"53952","Tert-Butyl 1-(benzyloxy)-2-phenylethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, [(2-phenyl-1-(phenylmethoxy)ethyl]-, 1,1-...",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)OCC2=CC=CC=C2","KXFJNORVYOZHLI-UHFFFAOYSA-N",381458,NA,"PDBC53952","668045","Present",NA,NA
+"53953","Tert-Butyl 1-benzyl-2-((1-methyl-2-(methylamino)-2-oxoethyl)amino)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 1-benzyl-2-((1-methyl-2-(methylamino)-2-oxoethyl)amino)-2-oxoethylcarbamate",NA,"CC(C(=O)NC)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C","RZTAPQUQDVAUKT-UHFFFAOYSA-N",381733,NA,"PDBC53953","668593","Present",NA,NA
+"53954","Tert-Butyl 1-benzyl-2-(1-pyrrolidinyl)-2-thioxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 1-benzyl-2-(1-pyrrolidinyl)-2-thioxoethylcarbamate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=S)N2CCCC2","HTBOVAIZEKLASI-UHFFFAOYSA-N",370701,NA,"PDBC53954","644198","Present",NA,NA
+"53955","Tert-Butyl 1-methyl-4-pentenyl((4-methylphenyl)sulfonyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 1-methyl-4-pentenyl((4-methylphenyl)sulfonyl)carbamate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N(C(C)CCC=C)C(=O)OC(C)(C)C","XJXNQSXNZHNNMH-UHFFFAOYSA-N",367947,NA,"PDBC53955","638151","Present",NA,NA
+"53956","Tert-Butyl 2,6-dioxo-4-propyl-3-piperidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2,6-dioxo-4-propyl-3-piperidinecarboxylate",NA,"CCCC1CC(=O)NC(=O)C1C(=O)OC(C)(C)C","CNXCDQRMLHOXAR-UHFFFAOYSA-N",386653,NA,"PDBC53956","679110","Present",NA,NA
+"53957","Tert-Butyl 2-((((2-((tert-butoxycarbonyl)amino)cyclohexyl)amino)(oxo)acetyl)amino)cyclohexylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]-2-oxoacetyl]amino]cyclohexyl]carbamate",NA,"CC(C)(C)OC(=O)NC1CCCCC1NC(=O)C(=O)NC2CCCCC2NC(=O)OC(C)(C)C","OCFUGYBSBVHKRH-UHFFFAOYSA-N",384593,NA,"PDBC53957","674605","Present",NA,NA
+"53958","Tert-Butyl 2-((1-(((2-((1-(((cyclopentylideneamino)oxy)carbonyl)-1-methylpropyl)amino)-1-methyl-2-oxoethyl)amino)carbonyl)-1-methylpropyl)amino)-1-methyl-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Cyclopentylideneamino) 2-methyl-2-[2-[[2-methyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoyl]amino]propanoylamino]butanoate",NA,"CCC(C)(C(=O)NC(C)C(=O)NC(C)(CC)C(=O)ON=C1CCCC1)NC(=O)C(C)NC(=O)OC(C)(C)C","GOUKPABDJFZSMG-UHFFFAOYSA-N",381447,NA,"PDBC53958","668035","Present",NA,NA
+"53959","Tert-Butyl 2-((1-benzyl-2-((2-((cyclopentylideneamino)oxy)-2-oxoethyl)amino)-2-oxoethyl)amino)-1-methyl-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Cyclopentylideneamino) 2-[[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]-3-phenylpropanoyl]amino]acetate",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)ON=C2CCCC2)NC(=O)OC(C)(C)C","GIHGPMYOIHAAGA-UHFFFAOYSA-N",381735,NA,"PDBC53959","668595","Present",NA,NA
+"53960","Tert-Butyl 2-((2-((2-((2-(4-(4-(((3-(methylthio)propyl)amino)carbonyl)-1,3-thiazol-2-yl)-3H-1lambda~4~,3-thiazol-2-yl)ethyl)amino)-2-oxoethyl)amino)-2-oxoethyl)amino)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[[2-[[2-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]carbamate",NA,"CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCSC","BDLOPVZLSPUTAP-UHFFFAOYSA-N",495473,NA,"PDBC53960","655478","Present",NA,NA
+"53961","Tert-Butyl 2-((2-((2-((2-hydroxy-4-methyl-7-quinolinyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethyl)amino)-1-methyl-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-[[1-[[1-[(4-methyl-2-oxo-1H-quinolin-7-yl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate",NA,"CC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C(C)NC(=O)C(C)NC(=O)C(C)NC(=O)OC(C)(C)C","OMELCXXTIBQUEY-UHFFFAOYSA-N",386991,NA,"PDBC53961","680302","Present",NA,NA
+"53962","Tert-Butyl 2-((2-((2-(4-(4-(((3-(methylthio)propyl)amino)carbonyl)-1,3-thiazol-2-yl)-3H-1lambda~4~,3-thiazol-2-yl)ethyl)amino)-2-oxoethyl)amino)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[[2-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]carbamate",NA,"CC(C)(C)OC(=O)NCC(=O)NCC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCSC","QWUBUOXDKAWJQE-UHFFFAOYSA-N",495469,NA,"PDBC53962","655475","Present",NA,NA
+"53963","Tert-Butyl 2-((2-(4-(4-(((3-(methylthio)propyl)amino)carbonyl)-1,3-thiazol-2-yl)-3H-1lambda~4~,3-thiazol-2-yl)ethyl)amino)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-2-oxoethyl]carbamate",NA,"CC(C)(C)OC(=O)NCC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCSC","IYKNZOLNKLSDIB-UHFFFAOYSA-N",495471,NA,"PDBC53963","655477","Present",NA,NA
+"53964","Tert-Butyl 2-((6-((((tert-butoxycarbonyl)amino)acetyl)amino)-3-cyclohexen-1-yl)amino)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[[6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]cyclohex-3-en-1-yl]amino]-2-oxoethyl]carbamate",NA,"CC(C)(C)OC(=O)NCC(=O)NC1CC=CCC1NC(=O)CNC(=O)OC(C)(C)C","GPTOSRIQHNHSKW-UHFFFAOYSA-N",384579,NA,"PDBC53964","674593","Present",NA,NA
+"53965","Tert-Butyl 2-((acetyloxy)(phenyl)acetyl)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-((acetyloxy)(phenyl)acetyl)hydrazinecarboxylate",NA,"CC(=O)OC(C1=CC=CC=C1)C(=O)NNC(=O)OC(C)(C)C","FWWVLPFGNQETOW-UHFFFAOYSA-N",381462,NA,"PDBC53965","668050","Present",NA,NA
+"53966","Tert-Butyl 2-((benzhydrylamino)carbonyl)-1-pyrrolidinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-((benzhydrylamino)carbonyl)-1-pyrrolidinecarboxylate",NA,"CC(C)(C)OC(=O)N1CCCC1C(=O)NC(C2=CC=CC=C2)C3=CC=CC=C3","RGNNHAVGJMFODJ-UHFFFAOYSA-N",381731,NA,"PDBC53966","668591","Present",NA,NA
+"53967","Tert-Butyl 2-((hydroxyimino)methyl)nicotinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-((hydroxyimino)methyl)nicotinate",NA,"CC(C)(C)OC(=O)C1=C(N=CC=C1)C=NO","YSQKAMNJNSRKPI-NTUHNPAUSA-N",135499208,NA,"PDBC53967","644868","Present",NA,NA
+"53968","Tert-Butyl 2-(2-(((benzyloxy)carbonyl)amino)-5-ethoxy-5-oxopentanoyl)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-(2-(((benzyloxy)carbonyl)amino)-5-ethoxy-5-oxopentanoyl)hydrazinecarboxylate",NA,"CCOC(=O)CCC(C(=O)NNC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1","AEASTATZRUTDNB-UHFFFAOYSA-N",381615,NA,"PDBC53968","668428","Present",NA,NA
+"53969","Tert-Butyl 2-(2-(aminocarbonyl)-1-pyrrolidinyl)-1-benzyl-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-(2-(aminocarbonyl)-1-pyrrolidinyl)-1-benzyl-2-oxoethylcarbamate",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)N","CAOGSKOCNQRIOG-UHFFFAOYSA-N",382197,NA,"PDBC53969","669656","Present",NA,NA
+"53970","Tert-Butyl 2-(2-hydroxy-3-phenoxypropyl)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-(2-hydroxy-3-phenoxypropyl)hydrazinecarboxylate",NA,"CC(C)(C)OC(=O)NNCC(COC1=CC=CC=C1)O","BZDJMQXNPXDJKK-UHFFFAOYSA-N",391017,NA,"PDBC53970","689432","Present",NA,NA
+"53971","Tert-Butyl 2-(2-phenoxypropanoyl)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-(2-phenoxypropanoyl)hydrazinecarboxylate",NA,"CC(C(=O)NNC(=O)OC(C)(C)C)OC1=CC=CC=C1","MJDRBLGJAUHSNZ-UHFFFAOYSA-N",381466,NA,"PDBC53971","668053","Present",NA,NA
+"53972","Tert-Butyl 2-(2-thiabicyclo[2.2.1]hept-5-en-3-yl)ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-(2-thiabicyclo[2.2.1]hept-5-en-3-yl)ethylcarbamate",NA,"CC(C)(C)OC(=O)NCCC1C2CC(S1)C=C2","NOTIXZCRLVHBGB-UHFFFAOYSA-N",386478,NA,"PDBC53972","678505","Present",NA,NA
+"53973","Tert-Butyl 2-amino-1-((5-(benzyloxy)-2-pyridinyl)methyl)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-amino-1-((5-(benzyloxy)-2-pyridinyl)methyl)-2-oxoethylcarbamate",NA,"CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)N","KJOUYZYFLMUPBB-UHFFFAOYSA-N",385334,NA,"PDBC53973","676451","Present",NA,NA
+"53974","Tert-Butyl 2-amino-1-((5-hydroxy-2-pyridinyl)methyl)-2-oxoethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-amino-1-((5-hydroxy-2-pyridinyl)methyl)-2-oxoethylcarbamate",NA,"CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)O)C(=O)N","YCZVZWXCDBYZMA-UHFFFAOYSA-N",385335,NA,"PDBC53974","676452","Present",NA,NA
+"53975","Tert-Butyl 2-amino-1-(methoxymethyl)-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-amino-1-(methoxymethyl)-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate",NA,"CC12C=CC(=CC1=C(C(=N)N2COC)C(=O)OC(C)(C)C)O","FCOWLXWPXUZYKM-UHFFFAOYSA-N",135450442,NA,"PDBC53975","674201","Present",NA,NA
+"53976","Tert-Butyl 3-(((benzyloxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 3-(((benzyloxy)carbonyl)amino)-3-((tert-butoxycarbonyl)amino)propanoate",NA,"CC(C)(C)OC(=O)CC(NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C","UHEHLVHHWLYYTK-UHFFFAOYSA-N",381432,NA,"PDBC53976","668020","Present",NA,NA
+"53977","Tert-Butyl 3-((tert-butoxycarbonyl)amino)-4-((1-(4-(hydroxy(oxido)amino)benzyl)-2-methoxy-2-oxoethyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-[[1-methoxy-3-(4-nitrophenyl)-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate",NA,"CC(C)(C)OC(=O)CC(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OC)NC(=O)OC(C)(C)C","YFNNBPDZSMMUIC-UHFFFAOYSA-N",381637,NA,"PDBC53977","668459","Present",NA,NA
+"53978","Tert-Butyl 3-((tert-butoxycarbonyl)amino)-4-((2-hydroxy-1-(methoxycarbonyl)-2-phenylethyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-[(1-hydroxy-3-methoxy-3-oxo-1-phenylpropan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate",NA,"CC(C)(C)OC(=O)CC(C(=O)NC(C(C1=CC=CC=C1)O)C(=O)OC)NC(=O)OC(C)(C)C","NHCFIOGJPAMIPQ-UHFFFAOYSA-N",382297,NA,"PDBC53978","669759","Present",NA,NA
+"53979","Tert-Butyl 3-((tert-butoxycarbonyl)amino)-4-((2-methoxy-1-methyl-2-oxo-1-phenylethyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-[(1-methoxy-1-oxo-2-phenylpropan-2-yl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate",NA,"CC(C)(C)OC(=O)CC(C(=O)NC(C)(C1=CC=CC=C1)C(=O)OC)NC(=O)OC(C)(C)C","MIIRPCCNBGCALP-UHFFFAOYSA-N",383890,NA,"PDBC53979","672675","Present",NA,NA
+"53980","Tert-Butyl 3-(6-((4-hydroxy-3-methylbutyl)amino)-9H-purin-9-yl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(+-)-9-(2-Carbo-t-butoxyethyl)dihydrozeatin",NA,"CC(CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)OC(C)(C)C)CO","SYUWUCOJHCSYKU-UHFFFAOYSA-N",383749,NA,"PDBC53980","672192","Present",NA,NA
+"53981","Tert-Butyl 3-butenyloxy(phenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl N-but-3-enoxy-N-phenyl-carbamate",NA,"CC(C)(C)OC(=O)N(C1=CC=CC=C1)OCCC=C","GUKTYOXQDWHXTQ-UHFFFAOYSA-N",392341,NA,"PDBC53981","692617","Present",NA,NA
+"53982","Tert-Butyl 3-butenyloxy(tert-butyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl N-but-3-enoxy-N-tert-butyl-carbamate",NA,"CC(C)(C)N(C(=O)OC(C)(C)C)OCCC=C","QTKITMITOUUYMZ-UHFFFAOYSA-N",392339,NA,"PDBC53982","692615","Present",NA,NA
+"53983","Tert-Butyl 3-methyl-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-t-Butyloxycarbonyl-3-methyl-1-phenyl-1,3,8-triazaspiro...",NA,"CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)N(CN2C3=CC=CC=C3)C","ZBTCTIDRZAHCCK-UHFFFAOYSA-N",389489,NA,"PDBC53983","685711","Present",NA,NA
+"53984","Tert-Butyl 4-(((2-bromo-3,6-dioxo-1,4-cyclohexadien-1-yl)methyl)amino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[2-bromo-3,6-dioxo-1,4-cyclohexadienyl)...",NA,"CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C(=O)C=CC2=O)Br","IKXATUBKZNLNKH-UHFFFAOYSA-N",389360,NA,"PDBC53984","685405","Present",NA,NA
+"53985","Tert-Butyl 4-((1-(((benzyloxy)carbonyl)amino)ethyl)amino)-3-((tert-butoxycarbonyl)amino)-4-oxobutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-[1-(benzyloxycarbonylamino)ethylamino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate",NA,"CC(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)NC(=O)OCC1=CC=CC=C1","WMACCKWDKPZPAJ-UHFFFAOYSA-N",382296,NA,"PDBC53985","669758","Present",NA,NA
+"53986","Tert-Butyl 4-((2-naphthylmethyl)amino)butyl(3-((2-naphthylmethyl)amino)propyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 4-((2-naphthylmethyl)amino)butyl(3-((2-naphthylmethyl)amino)propyl)carbamate",NA,"CC(C)(C)OC(=O)N(CCCCNCC1=CC2=CC=CC=C2C=C1)CCCNCC3=CC4=CC=CC=C4C=C3","VTSYHPYLTZEBSF-UHFFFAOYSA-N",389622,NA,"PDBC53986","685968","Present",NA,NA
+"53987","Tert-Butyl 4-(8,20-dibenzyl-11-(1-tert-butoxyethyl)-17-(1H-indol-3-ylmethyl)-7,10,13,16,19,22-hexaoxo-6,9,12,15,18,21-hexaazaspiro[4.17]docos-14-yl)butylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[4-[8,20-dibenzyl-17-(1H-indol-3-ylmethyl)-11-[1-[(2-methylpropan-2-yl)oxy]ethyl]-7,10,13,16,19,22-hexaoxo-6,9,12,15,18,21-hexazaspiro[4.17]docosan-14-yl]butyl]carbamate",NA,"CC(C1C(=O)NC(C(=O)NC2(CCCC2)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCNC(=O)OC(C)(C)C)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC6=CC=CC=C6)OC(C)(C)C","KBAIOLWBRGNIRJ-UHFFFAOYSA-N",383883,NA,"PDBC53987","672665","Present",NA,NA
+"53988","Tert-Butyl 4-(methylamino)-1-(((2-((2-(methylamino)-2-oxoethyl)amino)-2-oxo-1-(4-((6-oxoheptanoyl)amino)benzyl)ethyl)amino)carbonyl)-4-oxobutylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[5-(methylamino)-1-[[1-[[2-(methylamino)-2-oxoethyl]amino]-1-oxo-3-[4-(6-oxoheptanoylamino)phenyl]propan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamate",NA,"CC(=O)CCCCC(=O)NC1=CC=C(C=C1)CC(C(=O)NCC(=O)NC)NC(=O)C(CCC(=O)NC)NC(=O)OC(C)(C)C","PZDXJGPVGQVPCU-UHFFFAOYSA-N",382249,NA,"PDBC53988","669704","Present",NA,NA
+"53989","Tert-Butyl 4-benzyl-1,11-dimethyl-2,5,8-trioxo-9-oxa-3,6,10-triazadodec-10-en-1-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 4-benzyl-1,11-dimethyl-2,5,8-trioxo-9-oxa-3,6,10-triazadodec-10-en-1-ylcarbamate",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)ON=C(C)C)NC(=O)OC(C)(C)C","QMWFXUAADKAEDG-UHFFFAOYSA-N",381729,NA,"PDBC53989","668589","Present",NA,NA
+"53990","Tert-Butyl 4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-t-Butyloxycarbonyl-1-phenyl-1,3,8-triazaspiro[4,5]-dec...",NA,"CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)NCN2C3=CC=CC=C3","BNYZRZNNKWZTKG-UHFFFAOYSA-N",389488,NA,"PDBC53990","685710","Present",NA,NA
+"53991","Tert-Butyl 5,6-diamino-6-oxohexylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 5,6-diamino-6-oxohexylcarbamate",NA,"CC(C)(C)OC(=O)NCCCCC(C(=O)N)N","MYJDOZLWSJZLJY-UHFFFAOYSA-N",382308,NA,"PDBC53991","669769","Present",NA,NA
+"53992","Tert-Butyl 5-chloropyrazine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Chloro-pyrazine-2-carboxylic acid tert-butyl ester",NA,"CC(C)(C)OC(=O)C1=CN=C(C=N1)Cl","HVVYCXYNSSYJOR-UHFFFAOYSA-N",406083,NA,"PDBC53992","724001","Present",NA,NA
+"53993","Tert-Butyl 6-amino-5-(benzoylamino)-6-oxohexylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 6-amino-5-(benzoylamino)-6-oxohexylcarbamate",NA,"CC(C)(C)OC(=O)NCCCCC(C(=O)N)NC(=O)C1=CC=CC=C1","TUOBGXZCQZDHJZ-UHFFFAOYSA-N",382307,NA,"PDBC53993","669768","Present",NA,NA
+"53994","Tert-Butyl 6-methoxy-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 6-methoxy-2,2,6-trimethyl-7-oxo-1,4-diazabicyclo[3.2.0]heptane-4-carboxylate",NA,"CC1(CN(C2N1C(=O)C2(C)OC)C(=O)OC(C)(C)C)C","VRJIGFKCMJJHPV-UHFFFAOYSA-N",373035,NA,"PDBC53994","648868","Present",NA,NA
+"53995","Tert-Butyl 7-benzyl-10-isobutyl-1-methyl-2,5,9,12-tetraoxo-3,6,8,11-tetraazadodec-1-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 7-benzyl-10-isobutyl-1-methyl-2,5,9,12-tetraoxo-3,6,8,11-tetraazadodec-1-ylcarbamate",NA,"CC(C)CC(C(=O)NC(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)OC(C)(C)C)NC=O","CSWAVIIIISYISD-UHFFFAOYSA-N",382313,NA,"PDBC53995","669773","Present",NA,NA
+"53996","Tert-Butyl 7-oxo-6-azabicyclo[3.2.0]heptane-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 7-oxo-6-azabicyclo[3.2.0]heptane-6-carboxylate",NA,"CC(C)(C)OC(=O)N1C2CCCC2C1=O","WBSVYTMBRVVEOO-UHFFFAOYSA-N",395358,NA,"PDBC53996","699840","Present",NA,NA
+"53997","Tert-Butyl 7-oxo-8-phenyloctylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 7-oxo-8-phenyloctylcarbamate",NA,"CC(C)(C)OC(=O)NCCCCCCC(=O)CC1=CC=CC=C1","UWGJSFHHACWDRU-UHFFFAOYSA-N",394631,NA,"PDBC53997","698207","Present",NA,NA
+"53998","Tert-Butyl N-(3-Amino-3-Thioxopropyl)Carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2029AC",NA,"CC(C)(C)OC(=O)NCCC(=S)N","OBDMXQCRRWGEQM-UHFFFAOYSA-N",2735653,NA,"PDBC53998","655427","Present",NA,NA
+"53999","Tert-Butyl allyloxy(tert-butyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl tert-butyl(prop-2-en-1-yloxy)carbamate",NA,"CC(C)(C)N(C(=O)OC(C)(C)C)OCC=C","IXLZKHJLUMVROD-UHFFFAOYSA-N",392340,NA,"PDBC53999","692616","Present",NA,NA
+"54000","Tert-Butyl((5-methyl-7-(2,3,4,5-tetramethoxy-6-methylphenyl)-5-heptenyl)oxy)diphenylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Silane, 7-(2,3,4,5-tetramethoxy-6-methylphenyl)- 5-methy...",NA,"CC1=C(C(=C(C(=C1OC)OC)OC)OC)CC=C(C)CCCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C","YHKKAQITXCIVCO-WNAAXNPUSA-N",5469368,NA,"PDBC54000","687141","Present",NA,NA
+"54001","Tert-Butyl(4-(1-((2-methoxyethoxy)methoxy)-4-pentenyl)-2,6-dimethylphenoxy)dimethylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl(4-(1-((2-methoxyethoxy)methoxy)-4-pentenyl)-2,6-dimethylphenoxy)dimethylsilane",NA,"CC1=CC(=CC(=C1O[Si](C)(C)C(C)(C)C)C)C(CCC=C)OCOCCOC","GXDCHEFQKSOVBO-UHFFFAOYSA-N",371295,NA,"PDBC54001","645370","Present",NA,NA
+"54002","Tert-Butylhydroquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tbhq",NA,"CC(C)(C)C1=C(C=CC(=C1)O)O","BGNXCDMCOKJUMV-UHFFFAOYSA-N",16043,NA,"PDBC54002","4972","Present",NA,NA
+"54003","Tert-butyl (1S,6R)-3-oxo-4-oxa-2-azabicyclo[4.2.0]oct-7-ene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl(1s,6r)-3-oxo-4-oxa-2-azabicyclo[4.2.0]oct-7-ene-2-carboxylate",NA,"CC(C)(C)OC(=O)N1C2C=CC2COC1=O","OXKKVVCITWNFRC-YUMQZZPRSA-N",397593,NA,"PDBC54003","705934","Present",NA,NA
+"54004","Tert-butyl (1S,9R)-4-amino-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene-16-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl (1S,9R)-4-amino-1-methyl-16-azatetracyclo[7.6.1.02,7.010,15]hexadeca-2(7),3,5,10,12,14-hexaene-16-carboxylate",NA,"CC12C3=CC=CC=C3C(N1C(=O)OC(C)(C)C)CC4=C2C=C(C=C4)N","PTDWCQNGXMGUHR-WIYYLYMNSA-N",6712746,NA,"PDBC54004","708852","Present",NA,NA
+"54005","Tert-butyl (2R)-1-benzyl-5-sulfanylidenepyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687546",NA,"CC(C)(C)OC(=O)C1CCC(=S)N1CC2=CC=CC=C2","YYJIVJFCPCPWEX-CYBMUJFWSA-N",390254,NA,"PDBC54005","687546","Present",NA,NA
+"54006","Tert-butyl (2R,5S)-2-tert-butyl-5-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-oxoimidazolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl (2R,5S)-2-tert-butyl-5-[(4-fluorophenyl)methyl]-3,5-dimethyl-4-oxoimidazolidine-1-carboxylate",NA,"CC1(C(=O)N(C(N1C(=O)OC(C)(C)C)C(C)(C)C)C)CC2=CC=C(C=C2)F","SZANBVCORZWWOX-IERDGZPVSA-N",396652,NA,"PDBC54006","703166","Present",NA,NA
+"54007","Tert-butyl (2S)-1-benzyl-5-sulfanylidenepyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC687547",NA,"CC(C)(C)OC(=O)C1CCC(=S)N1CC2=CC=CC=C2","YYJIVJFCPCPWEX-ZDUSSCGKSA-N",390255,NA,"PDBC54007","687547","Present",NA,NA
+"54008","Tert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylsulfanylmethyl]pyrrolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl (2S)-2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methylsulfanylmethyl]pyrrolidine-1-carboxylate",NA,"CC(C)(C)OC(=O)N1CCCC1CSCC2CCCN2C(=O)OC(C)(C)C","KNMANBJHTYNPFV-HOTGVXAUSA-N",397189,NA,"PDBC54008","704596","Present",NA,NA
+"54009","Tert-butyl (2S,3R)-3-methyl-2-[[(2S)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl(2s,3r)-3-methyl-2-[[(2s)-3-phenyl-2-(2,2,2-trifluoroethylamino)propanoyl]amino]pentanoate",NA,"CCC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=CC=C1)NCC(F)(F)F","GBYDHHIFLCMQAA-PVAVHDDUSA-N",399214,NA,"PDBC54009","709888","Present",NA,NA
+"54010","Tert-butyl (2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoyl]amino]-3-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl (2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-(2,2,2-trifluoroethylamino)propanoyl]amino]-3-methylpentanoate",NA,"CCC(C)C(C(=O)OC(C)(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NCC(F)(F)F","LHWGAUTUTGYVJN-JQFCIGGWSA-N",400541,NA,"PDBC54010","712619","Present",NA,NA
+"54011","Tert-butyl (2Z)-2-(1-acetyl-2-methoxy-2H-indol-3-ylidene)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl (2Z)-2-(1-acetyl-2-methoxy-2H-indol-3-ylidene)acetate",NA,"CC(=O)N1C(C(=CC(=O)OC(C)(C)C)C2=CC=CC=C21)OC","IRCKRCCRIQIAQM-RAXLEYEMSA-N",5387217,NA,"PDBC54011","621862","Present",NA,NA
+"54012","Tert-butyl (2Z)-2-[(2,4-dinitrophenyl)hydrazono]cyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl (2Z)-2-[(2,4-dinitrophenyl)hydrazono]cyclopentanecarboxylate",NA,"CC(C)(C)OC(=O)C1CCCC1=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]","KHSCJKRBESUSSQ-ATVHPVEESA-N",9571472,NA,"PDBC54012","669649","Present",NA,NA
+"54013","Tert-butyl (4R,5S)-4-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl (4R,5S)-4-hydroxy-2-methylidene-5-(phenylmethoxycarbonylamino)hexanoate",NA,"CC(C(CC(=C)C(=O)OC(C)(C)C)O)NC(=O)OCC1=CC=CC=C1","WJNINSDPTZYUDV-GOEBONIOSA-N",5472235,NA,"PDBC54013","717093","Present",NA,NA
+"54014","Tert-butyl (4aS,6aS,9bS)-6a-methyl-3,7-dipyridin-3-yl-4a,5,6,9,9a,9b-hexahydro-1H-cyclopenta[f]quinoline-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl (4aS,6aS,9bS)-6a-methyl-3,7-dipyridin-3-yl-4a,5,6,9,9a,9b-hexahydro-1H-cyclopenta[f]quinoline-4-carboxylate",NA,"CC12CCC3C(C1CC=C2C4=CN=CC=C4)CC=C(N3C(=O)OC(C)(C)C)C5=CN=CC=C5","JZPKVAPVFDTOKX-WNLZEKCMSA-N",403567,NA,"PDBC54014","718591","Present",NA,NA
+"54015","Tert-butyl 1-[(E)-cinnamyl]-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 1-[(E)-cinnamyl]-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylate",NA,"CC(C)(C)OC(=O)N1CCC2=C(C1)N(NC2=O)CC=CC3=CC=CC=C3","RBHTZGJCVFLZSA-JXMROGBWSA-N",5468681,NA,"PDBC54015","674229","Present",NA,NA
+"54016","Tert-butyl 1-[2-[[2-[[2-[[2-(dimethylamino)-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoyl]-methyl-amino]-3-methyl-butanoyl]-methyl-amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 1-[2-[[2-[[2-[[2-(dimethylamino)-3-methylbutanoyl]-methylamino]-3-phenylpropanoyl]-methylamino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carboxylate",NA,"CC(C)C(C(=O)N1CCCC1C(=O)OC(C)(C)C)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC2=CC=CC=C2)N(C)C(=O)C(C(C)C)N(C)C","GVOFAKZZEJFVAC-UHFFFAOYSA-N",375410,NA,"PDBC54016","655096","Present",NA,NA
+"54017","Tert-butyl 2,6-dioxo-4-[1,2,3,4-tetrakis(phenylmethoxy)butyl]piperidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677663///NSC677666",NA,"CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)C(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","ATIZHXQUOYPBJB-UHFFFAOYSA-N",386078,NA,"PDBC54017","677663///677666","Present",NA,NA
+"54018","Tert-butyl 2,6-dioxo-4-[2,3,4,5-tetrakis(phenylmethoxy)pentyl]piperidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677669///NSC677671",NA,"CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)CC(C(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5","PHSWOSLMXLTJGG-UHFFFAOYSA-N",386081,NA,"PDBC54018","677669///677671","Present",NA,NA
+"54019","Tert-butyl 2,6-dioxo-4-[2,3,4-tris(phenylmethoxy)butyl]piperidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2,6-dioxo-4-[2,3,4-tris(benzyloxy)butyl]piperidine-3-carboxylate",NA,"CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)CC(C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4","SFRGAJOOYXWWKE-UHFFFAOYSA-N",386084,NA,"PDBC54019","677674","Present",NA,NA
+"54020","Tert-butyl 2-(1,4,7-triazonan-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 1,4,7-triazonan-1-ylacetate",NA,"CC(C)(C)OC(=O)CN1CCNCCNCC1","ASXRRCSNWSZWHO-UHFFFAOYSA-N",393898,NA,"PDBC54020","696858","Present",NA,NA
+"54021","Tert-butyl 2-(1-benzylindol-5-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-(1-benzylindol-5-yl)acetate",NA,"CC(C)(C)OC(=O)CC1=CC2=C(C=C1)N(C=C2)CC3=CC=CC=C3","FTFJBSFVSBQAFV-UHFFFAOYSA-N",365321,NA,"PDBC54021","632912","Present",NA,NA
+"54022","Tert-butyl 2-(2-oxochroman-3-carbonyl)hydrazinecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl 2-(2-oxochroman-3-carbonyl)hydrazinecarboxylate",NA,"CC(C)(C)OC(=O)NNC(=O)C1CC2=CC=CC=C2OC1=O","LYDZBGHQFWXWID-UHFFFAOYSA-N",381451,NA,"PDBC54022","668039","Present",NA,NA
+"54023","Tert-butyl 2-(3-ethoxy-2-nitro-3-oxopropyl)pyrrole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-(3-ethoxy-2-nitro-3-oxopropyl)-1h-pyrrole-1-carboxylate",NA,"CCOC(=O)C(CC1=CC=CN1C(=O)OC(C)(C)C)[N+](=O)[O-]","TVQICTGPWJLMRC-UHFFFAOYSA-N",402579,NA,"PDBC54023","716707","Present",NA,NA
+"54024","Tert-butyl 2-[2-[[4-[2-[(1-tert-butoxycarbonylpyrrolidine-2-carbonyl)amino]ethylamino]-9,10-dioxo-1-anthryl]amino]ethylcarbamoyl]pyrrolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-[2-[[4-[2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]amino]ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethylcarbamoyl]pyrrolidine-1-carboxylate",NA,"CC(C)(C)OC(=O)N1CCCC1C(=O)NCCNC2=C3C(=C(C=C2)NCCNC(=O)C4CCCN4C(=O)OC(C)(C)C)C(=O)C5=CC=CC=C5C3=O","YOGPKBIUGTWTPM-UHFFFAOYSA-N",438927,NA,"PDBC54024","684443","Present",NA,NA
+"54025","Tert-butyl 2-[4-[bis[(2E)-2-methoxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-5-oxo-1,2,4-triazol-1-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-[4-[bis[(2E)-2-methoxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-5-oxo-1,2,4-triazol-1-yl]acetate",NA,"CC(C)(C)OC(=O)CN1C(=O)N(C=N1)N(C(=O)C(=NOC)C2=CSC(=N2)NC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C(=NOC)C6=CSC(=N6)NC(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9","DTSWFOVEOZBVFW-FSIJVJSDSA-N",16129786,NA,"PDBC54025","660854","Present",NA,NA
+"54026","Tert-butyl 2-[4-[methyl-(2-phenylacetyl)amino]-1,2,4-triazol-1-ium-1-yl]acetate;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Tert-butoxy-2-oxoethyl)-4-[methyl(phenylacetyl)amino]-4H-1,2,4-triazol-1-ium bromide",NA,"CC(C)(C)OC(=O)C[N+]1=CN(C=N1)N(C)C(=O)CC2=CC=CC=C2.[Br-]","LRRFBJKINIZJSP-UHFFFAOYSA-M",378423,NA,"PDBC54026","660843","Present",NA,NA
+"54027","Tert-butyl 2-[5-oxo-4-[(2-phenylacetyl)amino]-1,2,4-triazol-1-yl]acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-[5-oxo-4-[(2-phenylacetyl)amino]-1,2,4-triazol-1-yl]acetate",NA,"CC(C)(C)OC(=O)CN1C(=O)N(C=N1)NC(=O)CC2=CC=CC=C2","PMNQGGXLFKDVJN-UHFFFAOYSA-N",378425,NA,"PDBC54027","660844","Present",NA,NA
+"54028","Tert-butyl 2-amino-1-benzyl-7a-methyl-5-oxoindole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 2-amino-1-benzyl-7a-methyl-5-oxo-5,7a-dihydro-1H-indole-3-carboxylate",NA,"CC12C=CC(=CC1=C(C(=N)N2CC3=CC=CC=C3)C(=O)OC(C)(C)C)O","PYLOACCUJGLZJG-UHFFFAOYSA-N",135450441,NA,"PDBC54028","674196","Present",NA,NA
+"54029","Tert-butyl 2-ethyl-4,8-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-ethyl-4,8-dimethyl-1-oxaspiro[2.5]octane-2-carboxylate",NA,"CCC1(C2(O1)C(CCCC2C)C)C(=O)OC(C)(C)C","PVUNGSLGVXBMOD-UHFFFAOYSA-N",403154,NA,"PDBC54029","717803","Present",NA,NA
+"54030","Tert-butyl 2-oxopyrrolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-boc-pyrrolidone",NA,"CC(C)(C)OC(=O)N1CCCC1=O","GJJYYMXBCYYXPQ-UHFFFAOYSA-N",379000,NA,"PDBC54030","662770","Present",NA,NA
+"54031","Tert-butyl 3,3-bis(phenylsulfonyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,3-dibesylpropionic acid tert-butyl ester",NA,"CC(C)(C)OC(=O)CC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2","YNHBIXOJTJRVCJ-UHFFFAOYSA-N",279782,NA,"PDBC54031","131064","Present",NA,NA
+"54032","Tert-butyl 3,5-diphenylpyrazolidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3,5-diphenylpyrazolidine-1-carboxylate",NA,"CC(C)(C)OC(=O)N1C(CC(N1)C2=CC=CC=C2)C3=CC=CC=C3","SDKBYPXAQQNNQM-UHFFFAOYSA-N",395345,NA,"PDBC54032","699827","Present",NA,NA
+"54033","Tert-butyl 3-(1,4-benzodioxin-3-yl)pyrido[3,2-b][1,4]oxazine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3-(1,4-benzodioxin-2-yl)-4h-pyrido[3,2-b][1,4]oxazine-4-carboxylate",NA,"CC(C)(C)OC(=O)N1C(=COC2=C1N=CC=C2)C3=COC4=CC=CC=C4O3","BKBDQNUKAHIZPI-UHFFFAOYSA-N",402895,NA,"PDBC54033","717212","Present",NA,NA
+"54034","Tert-butyl 3-(1-benzyl-2,6-dioxo-1,7-diazaspiro[4.4]nonan-9-yl)indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3-(1-benzyl-2,6-dioxo-1,7-diazaspiro[4.4]non-9-yl)-1h-indole-1-carboxylate",NA,"CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3CNC(=O)C34CCC(=O)N4CC5=CC=CC=C5","ULSKTSDSFMEARX-UHFFFAOYSA-N",403550,NA,"PDBC54034","718570","Present",NA,NA
+"54035","Tert-butyl 3-(1-benzyl-7-hydroxy-2,6-dioxo-1,7-diazaspiro[4.4]nonan-9-yl)indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3-(1-benzyl-7-hydroxy-2,6-dioxo-1,7-diazaspiro[4.4]non-9-yl)-1h-indole-1-carboxylate",NA,"CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3CN(C(=O)C34CCC(=O)N4CC5=CC=CC=C5)O","DNTZMDPLXXVPOG-UHFFFAOYSA-N",403551,NA,"PDBC54035","718571","Present",NA,NA
+"54036","Tert-butyl 3-(hydroxymethyl)-1,3-dihydropyrrolo[3,4-b]quinoline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3-(hydroxymethyl)-1,3-dihydro-2h-pyrrolo[3,4-b]quinoline-2-carboxylate",NA,"CC(C)(C)OC(=O)N1CC2=CC3=CC=CC=C3N=C2C1CO","HMLJGIJWOKYLQH-UHFFFAOYSA-N",287009,NA,"PDBC54036","146385","Present",NA,NA
+"54037","Tert-butyl 3-(tert-butoxycarbonylamino)-4-[[2-[(2-methoxy-1,1-dimethyl-2-oxo-ethyl)amino]-1,1-dimethyl-2-oxo-ethyl]amino]-4-oxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-[[1-[(1-methoxy-2-methyl-1-oxopropan-2-yl)amino]-2-methyl-1-oxopropan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate",NA,"CC(C)(C)OC(=O)CC(C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)OC)NC(=O)OC(C)(C)C","PQBACKCLKSQGSD-UHFFFAOYSA-N",382288,NA,"PDBC54037","669750","Present",NA,NA
+"54038","Tert-butyl 3-[(phenylcarbamothioylamino)methyl]indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-Butyl 3-[(anilinocarbothioyl)amino]methyl-1H-1-indo...",NA,"CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CNC(=S)NC3=CC=CC=C3","VMMRMAUNGFOCNX-UHFFFAOYSA-N",24204278,NA,"PDBC54038","731166","Present",NA,NA
+"54039","Tert-butyl 3-[4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-1H-indole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl 3-[4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)...",NA,"CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3=NC(=CS3)C4=CN(C5=C4C=CC=N5)C","ANIOHQNLPQWERS-UHFFFAOYSA-N",60147978,NA,"PDBC54039","753375","Present",NA,NA
+"54040","Tert-butyl 3-[6-(3-methylbut-2-enylamino)purin-9-yl]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Purin-6-amine, N-(3-methyl-2-butenyl)-9-(2-carbo-t-bu...",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)CCC(=O)OC(C)(C)C)C","SGEFAZIYGDXSDA-UHFFFAOYSA-N",383739,NA,"PDBC54040","672177","Present",NA,NA
+"54041","Tert-butyl 3-chloro-5-[1-[3-chloro-4-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-4-[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]but-1-enyl]-2-hydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5.alpha.)-3.beta.-[4,4-Di(5'-chloro-4'-hydroxy-3'-(1-di...",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)CCC=C(C5=CC(=C(C(=C5)Cl)O)C(=O)OC(C)(C)C)C6=CC(=C(C(=C6)Cl)O)C(=O)OC(C)(C)C)C)C","MZXWOFWLZJWZFT-UTXDTMBCSA-N",388791,NA,"PDBC54041","683877","Present",NA,NA
+"54042","Tert-butyl 3-isopropyl-3,4-dihydropyrazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3-isopropyl-3,4-dihydropyrazole-2-carboxylate",NA,"CC(C)C1CC=NN1C(=O)OC(C)(C)C","CEHOEXVMELJLMW-UHFFFAOYSA-N",395343,NA,"PDBC54042","699825","Present",NA,NA
+"54043","Tert-butyl 3-methyl-1-(1-(2-(2-(3-methyl-1-(2-(methylamino)-2-oxoethylamino)-1-oxobutan-2-ylamino)-2-oxoethylcarbamoyl)pyrrolidin-1-yl)-1-oxopropan-2-ylamino)-1-oxobutan-2-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl 3-methyl-1-(1-(2-(2-(3-methyl-1-(2-(methylami...",NA,"CC(C)C(C(=O)NCC(=O)NC)NC(=O)CNC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C(C)C)NC(=O)OC(C)(C)C","GKKXKASBJYBNOV-UHFFFAOYSA-N",381422,NA,"PDBC54043","668010","Present",NA,NA
+"54044","Tert-butyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate",NA,"CC(C)(C)OC(=O)N1C(CC=N1)C2=CC=CC=C2","ORLDPIQSTMUUAA-UHFFFAOYSA-N",395344,NA,"PDBC54044","699826","Present",NA,NA
+"54045","Tert-butyl 3a-methyl-5-oxo-2,3,4,6-tetrahydroindole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 3a-methyl-5-oxo-2,3,4,6-tetrahydroindole-1-carboxylate",NA,"CC12CCN(C1=CCC(=O)C2)C(=O)OC(C)(C)C","FKVWKMUVQCIDMG-UHFFFAOYSA-N",397441,NA,"PDBC54045","705299","Present",NA,NA
+"54046","Tert-butyl 4-[(1-tert-butoxycarbonyl-4-piperidyl)carbamoylamino]piperidine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-[(1-tert-butoxycarbonyl-4-piperidyl)carbamoylamino]piperidine-1-carboxylate",NA,"CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)NC2CCN(CC2)C(=O)OC(C)(C)C","RQUOKAGJORYYOV-UHFFFAOYSA-N",392872,NA,"PDBC54046","693925","Present",NA,NA
+"54047","Tert-butyl 4-[(1R)-2-[(E,3Z)-3-hydroxy-3-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,4-dioxopyrrolidin-3-ylidene]prop-1-enyl]cyclopentyl]but-2-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-[(1R)-2-[(E,3Z)-3-hydroxy-3-[5-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2,4-dioxopyrrolidin-3-ylidene]prop-1-enyl]cyclopentyl]but-2-ynoate",NA,"CC(C)(C)OC(=O)C#CCC1CCCC1C=CC(=C2C(=O)C(NC2=O)CCCNC(=O)OC(C)(C)C)O","GTLDOQDKEMOBRM-NZCKWQNLSA-N",54679351,NA,"PDBC54047","620625","Present",NA,NA
+"54048","Tert-butyl 4-[(2,5-dihydroxyphenyl)methylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid, 4-[[(2,5-dihydroxyphenyl)methyl]amino]- te...",NA,"CC(C)(C)OC(=O)C1=CC=C(C=C1)NCC2=C(C=CC(=C2)O)O","UEODOTJZRJMPBM-UHFFFAOYSA-N",386094,NA,"PDBC54048","677696","Present",NA,NA
+"54049","Tert-butyl 4-[1,2-bis(phenylmethoxy)ethyl]-2,6-dioxopiperidine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-[1,2-bis(benzyloxy)ethyl]-2,6-dioxopiperidine-3-carboxylate",NA,"CC(C)(C)OC(=O)C1C(CC(=O)NC1=O)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3","HAOIFJCZNKBZFR-UHFFFAOYSA-N",386087,NA,"PDBC54049","677677","Present",NA,NA
+"54050","Tert-butyl 4-[[5-(benzyloxycarbonylamino)-1-[[2-[(3-benzyloxy-3-oxo-propyl)amino]-1,1-dimethyl-2-oxo-ethyl]carbamoyl]pentyl]amino]-3-(tert-butoxycarbonylamino)-4-oxo-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 4-[[1-[[2-methyl-1-oxo-1-[(3-oxo-3-phenylmethoxypropyl)amino]propan-2-yl]amino]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoat",NA,"CC(C)(C)OC(=O)CC(C(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC(C)(C)C(=O)NCCC(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C","XBUWUSWLEXRPEM-UHFFFAOYSA-N",382304,NA,"PDBC54050","669766","Present",NA,NA
+"54051","Tert-butyl 5,5-dimethoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 5,5-dimethoxy-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate",NA,"CC(C)(C)OC(=O)N1C2C3CC(C(C2N=N1)O3)(OC)OC","BOXAKRICDHUMGS-UHFFFAOYSA-N",368610,NA,"PDBC54051","639718","Present",NA,NA
+"54052","Tert-butyl 5-(acetyloxy)-5-cyano-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 8-acetyloxy-8-cyano-10-oxa-3,4,5-triazatricyclo[5.2.1.02,6]dec-4-ene-3-carboxylate",NA,"CC(=O)OC1(CC2C3C(C1O2)N=NN3C(=O)OC(C)(C)C)C#N","IELUVYFANJILHH-UHFFFAOYSA-N",368685,NA,"PDBC54052","639817","Present",NA,NA
+"54053","Tert-butyl 5-[(E)-[(E)-(5-tert-butoxycarbonyl-3,4-dimethyl-1H-pyrrol-2-yl)methylenehydrazono]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 5-[(E)-[(E)-[3,4-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-1H-pyrrol-2-yl]methylidenehydrazinylidene]methyl]-3,4-dimethyl-1H-pyrrole-2-carboxylate",NA,"CC1=C(NC(=C1C)C(=O)OC(C)(C)C)C=NN=CC2=C(C(=C(N2)C(=O)OC(C)(C)C)C)C","SQLFWOSEKVSTFB-KOZSXFMUSA-N",135429955,NA,"PDBC54053","624864","Present",NA,NA
+"54054","Tert-butyl 5-[(tert-butyl)oxycarbonyl]-2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihy dropyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Di-tert-butyl 2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate",NA,"CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)OC(C)(C)C","PDRVVFSIZJAOGA-UHFFFAOYSA-N",376364,NA,"PDBC54054","657196","Present",NA,NA
+"54055","Tert-butyl 5-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 5-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate",NA,"CC(C)(C)OC(=O)N1C2C3CC(=O)C(C2N=N1)O3","QKGHBSABFITENT-UHFFFAOYSA-N",368687,NA,"PDBC54055","639819","Present",NA,NA
+"54056","Tert-butyl 6-(acetyloxy)-6-cyano-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 9-acetyloxy-9-cyano-10-oxa-3,4,5-triazatricyclo[5.2.1.02,6]dec-4-ene-3-carboxylate",NA,"CC(=O)OC1(CC2C3C(C1O2)N(N=N3)C(=O)OC(C)(C)C)C#N","PVBCASQFYFFREH-UHFFFAOYSA-N",368686,NA,"PDBC54056","639818","Present",NA,NA
+"54057","Tert-butyl 6-[6-[4,5-bis[bis(2-benzyloxy-2-oxo-ethyl)amino]pentanoylamino]hexanoylamino]hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 6-[6-[4,5-bis[bis(2-benzyloxy-2-oxo-ethyl)amino]pentanoylamino]hexanoylamino]hexanoate",NA,"CC(C)(C)OC(=O)CCCCCNC(=O)CCCCCNC(=O)CCC(CN(CC(=O)OCC1=CC=CC=C1)CC(=O)OCC2=CC=CC=C2)N(CC(=O)OCC3=CC=CC=C3)CC(=O)OCC4=CC=CC=C4","NGKVSHVXUBQDIV-UHFFFAOYSA-N",387982,NA,"PDBC54057","682348","Present",NA,NA
+"54058","Tert-butyl 6-acetyloxy-6-cyano-8-oxa-3-azatricyclo[3.2.1.02,4]octane-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 6-acetyloxy-6-cyano-8-oxa-3-azatricyclo[3.2.1.02,4]octane-3-carboxylate",NA,"CC(=O)OC1(CC2C3C(C1O2)N3C(=O)OC(C)(C)C)C#N","DYYPEHUEOWJADT-UHFFFAOYSA-N",368691,NA,"PDBC54058","639823","Present",NA,NA
+"54059","Tert-butyl 6-oxo-2,5,6a,7,8,9-hexahydro-1H-cyclopenta[d]indole-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 6-oxo-2,5,6a,7,8,9-hexahydro-1H-cyclopenta[d]indole-3-carboxylate",NA,"CC(C)(C)OC(=O)N1CCC23C1=CCC(=O)C2CCC3","MDWJKCIAZVBUGX-UHFFFAOYSA-N",397442,NA,"PDBC54059","705300","Present",NA,NA
+"54060","Tert-butyl 6-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 6-oxo-3a,4,5,6,7,7a-hexahydro-1H-4,7-epoxy-1,2,3-benzotriazole-1-carboxylate",NA,"CC(C)(C)OC(=O)N1C2C(C3CC(=O)C2O3)N=N1","OJCVYNLKKAUDPS-UHFFFAOYSA-N",368688,NA,"PDBC54060","639820","Present",NA,NA
+"54061","Tert-butyl N-(2-oxocyclopentyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE18025",NA,"CC(C)(C)OC(=O)NC1CCCC1=O","UXSQXOIYRVCHBS-UHFFFAOYSA-N",357962,NA,"PDBC54061","617637","Present",NA,NA
+"54062","Tert-butyl N-(3-methylbut-3-enyl)-N-(4-propan-2-ylfuran-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-(3-methylbut-3-enyl)-N-(4-propan-2-ylfuran-2-yl)carbamate",NA,"CC(C)C1=COC(=C1)N(CCC(=C)C)C(=O)OC(C)(C)C","RPKIMSLGSAWRJJ-UHFFFAOYSA-N",397468,NA,"PDBC54062","705326","Present",NA,NA
+"54063","Tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-(4-aminobutyl)-N-(3-aminopropyl)carbamate",NA,"CC(C)(C)OC(=O)N(CCCCN)CCCN","LXFKQBNEHNLMRB-UHFFFAOYSA-N",389615,NA,"PDBC54063","685961","Present",NA,NA
+"54064","Tert-butyl N-(4-benzamidobutyl)-N-(3-benzamidopropyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-(4-benzamidobutyl)-N-(3-benzamidopropyl)carbamate",NA,"CC(C)(C)OC(=O)N(CCCCNC(=O)C1=CC=CC=C1)CCCNC(=O)C2=CC=CC=C2","RXBQKHVFBPJZAP-UHFFFAOYSA-N",389616,NA,"PDBC54064","685962","Present",NA,NA
+"54065","Tert-butyl N-(4-phenylfuran-2-yl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-(4-phenylfuran-2-yl)carbamate",NA,"CC(C)(C)OC(=O)NC1=CC(=CO1)C2=CC=CC=C2","RQVJFXQJAKVJDA-UHFFFAOYSA-N",397467,NA,"PDBC54065","705325","Present",NA,NA
+"54066","Tert-butyl N-(4-tert-butylcyclohexyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-(4-tert-butylcyclohexyl)carbamate",NA,"CC(C)(C)C1CCC(CC1)NC(=O)OC(C)(C)C","PDIJCYYZMPOVRD-UHFFFAOYSA-N",359238,NA,"PDBC54066","619947","Present",NA,NA
+"54067","Tert-butyl N-[(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxycarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[(1R,3S)-3-(6-aminopurin-9-yl)cyclopentyl]-N-hydroxycarbamate",NA,"CC(C)(C)OC(=O)N(C1CCC(C1)N2C=NC3=C(N=CN=C32)N)O","YREGLQMLOYKNSK-VHSXEESVSA-N",396007,NA,"PDBC54067","701176","Present",NA,NA
+"54068","Tert-butyl N-[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxycarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[(1S,4R)-4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]-N-hydroxycarbamate",NA,"CC(C)(C)OC(=O)N(C1CC(C=C1)N2C=NC3=C(N=CN=C32)N)O","XPIJRPPOKSIAMW-VHSXEESVSA-N",395999,NA,"PDBC54068","701171","Present",NA,NA
+"54069","Tert-butyl N-[(2R)-2-hydroxycyclopentyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617636",NA,"CC(C)(C)OC(=O)NC1CCCC1O","CGZQRJSADXRRKN-BRFYHDHCSA-N",357961,NA,"PDBC54069","617636","Present",NA,NA
+"54070","Tert-butyl N-[(2S)-1-[(3S)-3-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]pyrazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[(2S)-1-[(3S)-3-[(1R,5S,7S)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decane-4-carbonyl]pyrazolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate",NA,"CC1(C2CCC13CS(=O)(=O)N(C3C2)C(=O)C4CCN(N4)C(=O)C(CC5=CC=CC=C5)NC(=O)OC(C)(C)C)C","OBUKIXLUDSTZRW-IZJCFNCDSA-N",396842,NA,"PDBC54070","703866","Present",NA,NA
+"54071","Tert-butyl N-[(3-isothiocyanatophenyl)methyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl (3-isothiocyanatobenzyl)carbamate",NA,"CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N=C=S","MLVVCEIYZJBDQX-UHFFFAOYSA-N",19773427,NA,"PDBC54071","784411","Present",NA,NA
+"54072","Tert-butyl N-[(3aS,4S,7S,7aS)-2,5-dimethyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]-N-(4-methoxyphenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[(3aS,4S,7S,7aS)-2,5-dimethyl-7-[(R)-(4-methylphenyl)sulfinyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]-N-(4-methoxyphenyl)carbamate",NA,"CC1=CC=C(C=C1)S(=O)C2C=C(C(C3C2C(=O)N(C3=O)C)N(C4=CC=C(C=C4)OC)C(=O)OC(C)(C)C)C","IPZASLGZVITCBG-KJKZWSSPSA-N",9572566,NA,"PDBC54072","720266","Present",NA,NA
+"54073","Tert-butyl N-[(E)-1-aminopropylideneamino]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683290",NA,"CCC(=NNC(=O)OC(C)(C)C)N","DHIIGGBUSJELIL-UHFFFAOYSA-N",5466272,NA,"PDBC54073","683290","Present",NA,NA
+"54074","Tert-butyl N-[(Z)-1-cyclohexyl-3-oxoprop-1-en-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[(Z)-1-cyclohexyl-3-oxoprop-1-en-2-yl]carbamate",NA,"CC(C)(C)OC(=O)NC(=CC1CCCCC1)C=O","MRCBRTDILSUIIQ-XFXZXTDPSA-N",5470800,NA,"PDBC54074","705170","Present",NA,NA
+"54075","Tert-butyl N-[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxy-3a,7a-dihydroindol-5-yl]-N-prop-2-enylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-(benzenesulfonyl)-3-methyl-7-phenylmethoxy-3a,7a-dihydroindol-5-yl]-N-prop-2-enylcarbamate",NA,"CC1=CN(C2C1C=C(C=C2OCC3=CC=CC=C3)N(CC=C)C(=O)OC(C)(C)C)S(=O)(=O)C4=CC=CC=C4","NUGGQTOZGJKVJS-UHFFFAOYSA-N",396963,NA,"PDBC54075","704200","Present",NA,NA
+"54076","Tert-butyl N-[1-(benzylamino)-1-oxo-3-(5-phenylmethoxypyridin-2-yl)propan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-(benzylamino)-1-oxo-3-(5-phenylmethoxypyridin-2-yl)propan-2-yl]carbamate",NA,"CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3","YQUQMCNBOBSLRO-UHFFFAOYSA-N",400187,NA,"PDBC54076","711706","Present",NA,NA
+"54077","Tert-butyl N-[1-[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-[(4-benzoylphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-[4-[4-(3-azidophenothiazin-10-yl)butyl]piperazin-1-yl]-3-[(4-benzoylphenyl)methylsulfanyl]-1-oxopropan-2-yl]carbamate",NA,"CC(C)(C)OC(=O)NC(CSCC1=CC=C(C=C1)C(=O)C2=CC=CC=C2)C(=O)N3CCN(CC3)CCCCN4C5=C(C=C(C=C5)N=[N+]=[N-])SC6=CC=CC=C64","HYJPZDPATAQIEB-UHFFFAOYSA-N",386361,NA,"PDBC54077","678157","Present",NA,NA
+"54078","Tert-butyl N-[1-[[1-[[1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-butoxyphenyl)-1-oxopropan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-[[1-[[1-[(2-amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-butoxyphenyl)-1-oxopropan-2-yl]carbamate",NA,"CCCCOC1=CC=C(C=C1)CC(C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)N)NC(=O)OC(C)(C)C","LGSHIBLFLYRFNF-UHFFFAOYSA-N",6712837,NA,"PDBC54078","716694","Present",NA,NA
+"54079","Tert-butyl N-[1-[[1-[[1-[[4-methyl-1-(methylamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-(4-phenylmethoxyphenyl)propan-2-yl]amino]-1-oxo-3-phenylmethoxypropan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668900///NSC668901",NA,"CC(C)CC(C(=O)NC)NC(=O)C(C)NC(=O)C(CC1=CC=C(C=C1)OCC2=CC=CC=C2)NC(=O)C(COCC3=CC=CC=C3)NC(=O)OC(C)(C)C","XLUAMXNDSQJTCX-UHFFFAOYSA-N",381828,NA,"PDBC54079","668900///668901","Present",NA,NA
+"54080","Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-piperidin-1-ylpropan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-piperidin-1-ylpropan-2-yl]carbamate",NA,"CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCCCC3","MYOJCOVWLGCKIS-UHFFFAOYSA-N",400189,NA,"PDBC54080","711708","Present",NA,NA
+"54081","Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-pyrrolidin-1-ylpropan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-pyrrolidin-1-ylpropan-2-yl]carbamate",NA,"CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCCC3","AVSLGCNIHAEBML-UHFFFAOYSA-N",400188,NA,"PDBC54081","711707","Present",NA,NA
+"54082","Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-thiomorpholin-4-ylpropan-2-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[1-oxo-3-(5-phenylmethoxypyridin-2-yl)-1-thiomorpholin-4-ylpropan-2-yl]carbamate",NA,"CC(C)(C)OC(=O)NC(CC1=NC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCSCC3","VXPRVUQNCLJWPW-UHFFFAOYSA-N",400190,NA,"PDBC54082","711709","Present",NA,NA
+"54083","Tert-butyl N-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-(1-benzoyl-2,3-dihydroindol-3-yl)ethyl]carbamate",NA,"CC(C)(C)OC(=O)NCCC1CN(C2=CC=CC=C12)C(=O)C3=CC=CC=C3","FVXRGBPQHHLHCO-UHFFFAOYSA-N",394088,NA,"PDBC54083","697226","Present",NA,NA
+"54084","Tert-butyl N-[2-(2-anilinoethylamino)ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-(2-anilinoethylamino)ethyl]carbamate",NA,"CC(C)(C)OC(=O)NCCNCCNC1=CC=CC=C1","MEMDJFQKOBLTMX-UHFFFAOYSA-N",390719,NA,"PDBC54084","688361","Present",NA,NA
+"54085","Tert-butyl N-[2-(4-aminophenyl)ethyl]carbamate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669666",NA,"CC(C)(C)OC(=O)NCCC1=CC=C(C=C1)N.Cl","HLDPIFQTQYIUBL-UHFFFAOYSA-N",382206,NA,"PDBC54085","669666","Present",NA,NA
+"54086","Tert-butyl N-[2-(4-methoxy-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]anilino)-2-oxoethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-(4-methoxy-N-[2-oxo-2-(3-phenyltellanylpropylamino)ethyl]anilino)-2-oxoethyl]carbamate",NA,"CC(C)(C)OC(=O)NCC(=O)N(CC(=O)NCCC[Te]C1=CC=CC=C1)C2=CC=C(C=C2)OC","NREKVXDAIMNRNL-UHFFFAOYSA-N",54613363,NA,"PDBC54086","751131","Present",NA,NA
+"54087","Tert-butyl N-[2-(cyclopentene-1-carbonyl)cyclopentyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-(cyclopentene-1-carbonyl)cyclopentyl]carbamate",NA,"CC(C)(C)OC(=O)NC1CCCC1C(=O)C2=CCCC2","MZEJHRYESWYBFS-UHFFFAOYSA-N",395357,NA,"PDBC54087","699839","Present",NA,NA
+"54088","Tert-butyl N-[2-[2-(3,4-dichlorophenyl)ethyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]carbamate;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[2-(3,4-dichlorophenyl)ethyl-(2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]carbamate;oxalic acid",NA,"CC(C)(C)OC(=O)NCC(=O)N(CCC1=CC(=C(C=C1)Cl)Cl)CCN2CCCC2.C(=O)(C(=O)O)O","BXIMIPOGWJURFW-UHFFFAOYSA-N",398616,NA,"PDBC54088","708566","Present",NA,NA
+"54089","Tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]-1,4-diazepan-1-yl]-2-oxoethyl]carbamate",NA,"CC(C)(C)OC(=O)NCC(=O)N1CCCN(CC1)C(=O)CNC(=O)OC(C)(C)C","HXCBSYYURNWKCQ-UHFFFAOYSA-N",398091,NA,"PDBC54089","707455","Present",NA,NA
+"54090","Tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]piperazin-1-yl]-2-oxoethyl]carbamate",NA,"CC(C)(C)OC(=O)NCC(=O)N1CCN(CC1)C(=O)CNC(=O)OC(C)(C)C","JJPRQQAVDAJBQH-UHFFFAOYSA-N",398092,NA,"PDBC54090","707457","Present",NA,NA
+"54091","Tert-butyl N-[2-[[(5S,6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-2-oxoethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[[(5S,6E)-5-hydroxy-6-hydroxyimino-4,5-dihydrocyclopenta[b]thiophen-4-yl]amino]-2-oxoethyl]carbamate",NA,"CC(C)(C)OC(=O)NCC(=O)NC1C(C(=NO)C2=C1C=CS2)O","ZSGYMOFSOULYKR-GGHAQYGFSA-N",9571977,NA,"PDBC54091","681947","Present",NA,NA
+"54092","Tert-butyl N-[2-[di(cyclopenten-1-yl)-hydroxy-methyl]cyclopentyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[di(cyclopenten-1-yl)-hydroxy-methyl]cyclopentyl]carbamate",NA,"CC(C)(C)OC(=O)NC1CCCC1C(C2=CCCC2)(C3=CCCC3)O","OBVRINWDSAUMTD-UHFFFAOYSA-N",395359,NA,"PDBC54092","699841","Present",NA,NA
+"54093","Tert-butyl N-[3-(6-aminopurin-9-yl)propyl]-N-hydroxycarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[3-(6-aminopurin-9-yl)propyl]-N-hydroxycarbamate",NA,"CC(C)(C)OC(=O)N(CCCN1C=NC2=C(N=CN=C21)N)O","VHBUZNNLPCKZOL-UHFFFAOYSA-N",396008,NA,"PDBC54093","701177","Present",NA,NA
+"54094","Tert-butyl N-[3-(tert-butoxycarbonylamino)-2-(4-carbamoylthiazol-2-yl)propyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[3-(tert-butoxycarbonylamino)-2-(4-carbamoylthiazol-2-yl)propyl]carbamate",NA,"CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C1=NC(=CS1)C(=O)N","AATHPCGBFQJIKL-UHFFFAOYSA-N",390568,NA,"PDBC54094","688077","Present",NA,NA
+"54095","Tert-butyl N-[3-(tert-butoxycarbonylamino)-2-[4-[4-(3-methylsulfanylpropylcarbamoyl)thiazol-2-yl]thiazol-2-yl]propyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-[4-(3-methylsulfanylpropylcarbamoyl)-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]propyl]carbamate",NA,"CC(C)(C)OC(=O)NCC(CNC(=O)OC(C)(C)C)C1=NC(=CS1)C2=NC(=CS2)C(=O)NCCCSC","MUDZNBUIZOQPIT-UHFFFAOYSA-N",390569,NA,"PDBC54095","688078","Present",NA,NA
+"54096","Tert-butyl N-[3-[6-(cyclopropylamino)purin-9-yl]propyl]-N-hydroxycarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[3-[6-(cyclopropylamino)purin-9-yl]propyl]-N-hydroxycarbamate",NA,"CC(C)(C)OC(=O)N(CCCN1C=NC2=C(N=CN=C21)NC3CC3)O","YCVSJYRIFZPRES-UHFFFAOYSA-N",396006,NA,"PDBC54096","701175","Present",NA,NA
+"54097","Tert-butyl N-[3-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]propyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[3-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]propyl]carbamate",NA,"CC(C)(C)OC(=O)NCCCNC1(CCCCC1)C2=CC3=CC=CC=C3S2","YWMVNGZPUKPREF-UHFFFAOYSA-N",398398,NA,"PDBC54097","708110","Present",NA,NA
+"54098","Tert-butyl N-[4-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)butyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,6-Dihydro-6-[(4-tert-butyloxycarbonylamino)-1-butyl]-5...",NA,"CC(C)(C)OC(=O)NCCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","OLWVGPOKDFWYTB-UHFFFAOYSA-N",11486911,NA,"PDBC54098","726768","Present",NA,NA
+"54099","Tert-butyl N-[4-[(2,2,2-trifluoroacetyl)amino]butyl]-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl 4-((trifluoroacetyl)amino)butyl(3-((trifluoroacetyl)amino)propyl)carbamate",NA,"CC(C)(C)OC(=O)N(CCCCNC(=O)C(F)(F)F)CCCNC(=O)C(F)(F)F","HEKUJOZWBBJHNW-UHFFFAOYSA-N",389614,NA,"PDBC54099","685960","Present",NA,NA
+"54100","Tert-butyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cuban-1-yl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[4-(tert-butoxycarbonylamino)cuban-1-yl]carbamate",NA,"CC(C)(C)OC(=O)NC12C3C4C1C5C2C3C45NC(=O)OC(C)(C)C","GLIIDSDAHUGWAH-UHFFFAOYSA-N",386909,NA,"PDBC54100","679810","Present",NA,NA
+"54101","Tert-butyl N-[4-[(8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[4-[(8S)-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate",NA,"CC(C)CC1C2=C(CC3N1C(=O)C(NC3=O)CCCCNC(=O)OC(C)(C)C)C4=CC=CC=C4N2","GYNFOCMRARYTHB-HRTMPFAESA-N",397177,NA,"PDBC54101","704582","Present",NA,NA
+"54102","Tert-butyl N-[4-[(8S)-2-cyclohexyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[4-[(8S)-2-cyclohexyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate",NA,"CC(C)(C)OC(=O)NCCCCC1C(=O)N2C(CC3=C(C2C4CCCCC4)NC5=CC=CC=C35)C(=O)N1","GRVNDNOOQYQOGD-KJXWVISYSA-N",397173,NA,"PDBC54102","704578","Present",NA,NA
+"54103","Tert-butyl N-[4-[(8S)-2-ethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[4-[(8S)-2-ethyl-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate",NA,"CCC1C2=C(CC3N1C(=O)C(NC3=O)CCCCNC(=O)OC(C)(C)C)C4=CC=CC=C4N2","KCEWFCSNNHGHDJ-MHJFOBGBSA-N",397164,NA,"PDBC54103","704569","Present",NA,NA
+"54104","Tert-butyl N-[4-[(8S)-4,7-dioxo-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[4-[(8S)-4,7-dioxo-2-phenyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]butyl]carbamate",NA,"CC(C)(C)OC(=O)NCCCCC1C(=O)N2C(CC3=C(C2C4=CC=CC=C4)NC5=CC=CC=C35)C(=O)N1","LRUNISZEIPZHFK-KJXWVISYSA-N",397168,NA,"PDBC54104","704573","Present",NA,NA
+"54105","Tert-butyl N-[4-[1-benzyl-4-(2-diethoxyphosphorylacetyl)-3-hydroxy-5-oxo-2H-pyrrol-2-yl]butyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[4-[1-benzyl-4-(2-diethoxyphosphorylacetyl)-3-hydroxy-5-oxo-2H-pyrrol-2-yl]butyl]carbamate",NA,"CCOP(=O)(CC(=O)C1=C(C(N(C1=O)CC2=CC=CC=C2)CCCCNC(=O)OC(C)(C)C)O)OCC","JNQFUOXMQBUVKI-UHFFFAOYSA-N",54676215,NA,"PDBC54105","620616","Present",NA,NA
+"54106","Tert-butyl N-[4-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]-4-oxobutyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[4-[[1-(1-benzothiophen-2-yl)cyclohexyl]amino]-4-oxobutyl]carbamate",NA,"CC(C)(C)OC(=O)NCCCC(=O)NC1(CCCCC1)C2=CC3=CC=CC=C3S2","SHFKPQRFVUCEGI-UHFFFAOYSA-N",398384,NA,"PDBC54106","708097","Present",NA,NA
+"54107","Tert-butyl N-[4-acetamido-2-(tert-butoxycarbonylamino)cyclohexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[4-acetamido-2-(tert-butoxycarbonylamino)cyclohexyl]carbamate",NA,"CC(=O)NC1CCC(C(C1)NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C","QEHFAHSIVHFASZ-UHFFFAOYSA-N",384584,NA,"PDBC54107","674597","Present",NA,NA
+"54108","Tert-butyl N-[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamoylamino]hexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-2-ylcarbamoylamino]hexyl]carbamate",NA,"CC(CCCCNC(=O)OC(C)(C)C)NC(=O)NC(C)CCCCNC(=O)OC(C)(C)C","WNFRXUVKTJASSL-UHFFFAOYSA-N",399266,NA,"PDBC54108","709958","Present",NA,NA
+"54109","Tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[6-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-5-(9H-fluoren-9-ylmethoxycarbonylamino)-6-oxohexyl]carbamate",NA,"CC(C)(C)OC(=O)NCCCCC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24","RNVVFPQNNZBDMQ-UHFFFAOYSA-N",383818,NA,"PDBC54109","672434","Present",NA,NA
+"54110","Tert-butyl N-methoxy-N-phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-Butyl methoxy(phenyl)carbamate",NA,"CC(C)(C)OC(=O)N(C1=CC=CC=C1)OC","GECHGVLXFGBRFH-UHFFFAOYSA-N",392338,NA,"PDBC54110","692614","Present",NA,NA
+"54111","Tert-butyl N-methyl-N-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylsulfanyl]ethyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-methyl-N-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylsulfanyl]ethyl]carbamate",NA,"CC(C)(C)OC(=O)N(C)CCSCCN(C)C(=O)OC(C)(C)C","NRVDBKWUGGHLBI-UHFFFAOYSA-N",397190,NA,"PDBC54111","704597","Present",NA,NA
+"54112","Tert-butyl(oxido)oxidanium;5-chloro-2-[(5-chloro-2-oxidophenyl)methylideneamino]phenolate;oxovanadium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl(oxido)oxidanium;5-chloro-2-[(5-chloro-2-oxidophenyl)methylideneamino]phenolate;oxovanadium",NA,"CC(C)(C)[OH+][O-].C1=CC(=C(C=C1Cl)[O-])N=CC2=C(C=CC(=C2)Cl)[O-].O=[V]","AQHXNEQSLLRTFU-UHFFFAOYSA-L",6711291,NA,"PDBC54112","614925","Present",NA,NA
+"54113","Tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-[(2E,6E)-5-[tert-butyl(dimethyl)silyl]oxy-2-methylocta-2,6-dienoxy]-dimethylsilane",NA,"CC=CC(CC=C(C)CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C","NCUBKCSLYCLMJM-UUVOMYAKSA-N",5387042,NA,"PDBC54113","619969","Present",NA,NA
+"54114","Tert-butyl-[(E)-5-[(5S)-5-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-3,7-dienyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-3-methylpent-2-enoxy]-diphenylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-[(E)-5-[(5S)-5-[(3E,7E)-9-[tert-butyl(dimethyl)silyl]oxy-4-methylnona-3,7-dienyl]-2,2,5-trimethyl-1,3-dioxolan-4-yl]-3-methylpent-2-enoxy]-diphenylsilane",NA,"CC(=CCCC1(C(OC(O1)(C)C)CCC(=CCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C)C)CCC=CCO[Si](C)(C)C(C)(C)C","UTDGYZGKPVRQQO-RVGWBIFJSA-N",5387050,NA,"PDBC54114","619984","Present",NA,NA
+"54115","Tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-methoxyphenoxy]-dimethylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-[3-[1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-4-methoxyphenoxy]-dimethylsilane",NA,"CC(C)(C)[Si](C)(C)OC1=CC(=C(C=C1)OC)C(CC=C)O[Si](C)(C)C(C)(C)C","OVVPJUIZXCNNEM-UHFFFAOYSA-N",358359,NA,"PDBC54115","618325","Present",NA,NA
+"54116","Tert-butyl-[3-[tert-butyl(methyl)phosphaniumyl]quinoxalin-2-yl]-methylphosphanium;gold(1+);chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-[3-[tert-butyl(methyl)phosphaniumyl]quinoxalin-2-yl]-methylphosphanium;gold(1+);chloride",NA,"CC(C)(C)[PH+](C)C1=NC2=CC=CC=C2N=C1[PH+](C)C(C)(C)C.CC(C)(C)[PH+](C)C1=NC2=CC=CC=C2N=C1[PH+](C)C(C)(C)C.[Cl-].[Au+]","MAWPZHTVBDJQKE-UHFFFAOYSA-Q",54613360,NA,"PDBC54116","750634","Present",NA,NA
+"54117","Tert-butyl-[5-[(5R)-5-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]pentoxy]-diphenylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-[5-[(5R)-5-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl]pentoxy]-diphenylsilane",NA,"CCCCCC1CCCC2C1CCC(N2)CCCCCO[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C","PBOVJYYHOUXFBG-XGEQHHTPSA-N",357804,NA,"PDBC54117","617332","Present",NA,NA
+"54118","Tert-butyl-[[(3S,8R,10S,13R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-[[(3S,8R,10S,13R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-dimethylsilane",NA,"CC(C)C(C)CCC(C)C1CC=C2C1(CCC3C2CCC4C3(CCC(C4)O[Si](C)(C)C(C)(C)C)C)C","ZDHZLSKPLHWFMW-MWCBHAHUSA-N",6711345,NA,"PDBC54118","620561","Present",NA,NA
+"54119","Tert-butyl-[[1-[2-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-naphthyl]-2-naphthyl]oxy]-dimethyl-silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-[[1-[2-(4-isopropyl-4,5-dihydrooxazol-2-yl)-1-naphthyl]-2-naphthyl]oxy]-dimethyl-silane",NA,"CC(C)C1COC(=N1)C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O[Si](C)(C)C(C)(C)C","IFPRIRSMYGSWIJ-UHFFFAOYSA-N",370749,NA,"PDBC54119","644272","Present",NA,NA
+"54120","Tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-dimethyl-[(2E,6E)-6-methylocta-2,6-dienoxy]silane",NA,"CC=C(C)CCC=CCO[Si](C)(C)C(C)(C)C","PCZNVUJKDMKJJL-NKLYCRJGSA-N",5387051,NA,"PDBC54120","619985","Present",NA,NA
+"54121","Tert-butyl-dimethyl-[[(1S,3S,4R,7R,10S)-5-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl-dimethyl-[[(1S,3S,4R,7R,10S)-5-(4-methylphenyl)sulfonyl-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2CC3CCC4(C3C2C(N4)C5=CC=CC=C5)CO[Si](C)(C)C(C)(C)C","LUCIQHVGOJQLIA-HRUXOILCSA-N",401751,NA,"PDBC54121","715481","Present",NA,NA
+"54122","Tesimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tesimide(usan)",NA,"C1CCC2=C(C1)C(=CC3=CC=CC=C3)C(=O)NC2=O","JFTOCKFCHJCDDX-UVTDQMKNSA-N",5384729,NA,"PDBC54122","356718","Present",NA,NA
+"54123","Tesmilifene hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tesmilifene hydrochloride",NA,"CCN(CC)CCOC1=CC=C(C=C1)CC2=CC=CC=C2.Cl","TXLHNFOLHRXMAU-UHFFFAOYSA-N",175534,NA,"PDBC54123","600011","Present",NA,NA
+"54124","Testolactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TESTOLACTONE",NA,"CC12CCC3C(C1CCC(=O)O2)CCC4=CC(=O)C=CC34C","BPEWUONYVDABNZ-DZBHQSCQSA-N",13769,NA,"PDBC54124","23759","Present",NA,NA
+"54125","Tetra(4-dimethylaminophenyl)tin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetra(4-dimethylaminophenyl)tin",NA,"CN(C)C1=CC=C(C=C1)[Sn](C2=CC=C(C=C2)N(C)C)(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C","OWPSKSWQLAZFEJ-UHFFFAOYSA-N",364486,NA,"PDBC54125","630825","Present",NA,NA
+"54126","Tetra(4-dimethylaminophenyl)tin tetramethiodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetra(4-dimethylaminophenyl)tin tetramethiodide",NA,"C[N+](C)(C)C1=CC=C(C=C1)[Sn](C2=CC=C(C=C2)[N+](C)(C)C)(C3=CC=C(C=C3)[N+](C)(C)C)C4=CC=C(C=C4)[N+](C)(C)C.[I-]","LULQHGKMCMDRJK-UHFFFAOYSA-M",364484,NA,"PDBC54126","630824","Present",NA,NA
+"54127","Tetra(4-methoxyphenol)tin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetra(4-methoxyphenol)tin",NA,"COC1=CC=C(C=C1)[Sn](C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC","GOCMMWUJTFRWGG-UHFFFAOYSA-N",364483,NA,"PDBC54127","630823","Present",NA,NA
+"54128","Tetra(N-methyl-2-pyridyl)-porphyrin Chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetra(N-methyl-2-pyridyl)-porphyrin Chloride",NA,"C[N+]1=CC=CC=C1C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6C=CC2N6)C7=CC=CC=[N+]7C)C=C5)C8=CC=CC=[N+]8C)N4)C9=CC=CC=[N+]9C.[Cl-]","YFUXGMWJHRNUKW-UHFFFAOYSA-N",5471231,NA,"PDBC54128","709848","Present",NA,NA
+"54129","Tetra(N-methyl-4-pyridyl)-porphyrin Chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetra(N-methyl-4-pyridyl)-porphyrin Chloride",NA,"C[N+]1=CC=C(C=C1)C2=C3C=CC(=N3)C(=C4C=CC(=C(C5=NC(=C(C6C=CC2N6)C7=CC=[N+](C=C7)C)C=C5)C8=CC=[N+](C=C8)C)N4)C9=CC=[N+](C=C9)C.[Cl-]","LKRJLHVIXOTLTN-UHFFFAOYSA-N",5471229,NA,"PDBC54129","709847","Present",NA,NA
+"54130","Tetra(tert-butyl) 1,4-diallyl-2,5-dimethoxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetra(tert-butyl) 1,4-diallyl-2,5-dimethoxy-1,3a,4,6a-tetrahydro-1,3,4,6-pentalenetetracarboxylate",NA,"CC(C)(C)OC(=O)C1=C(C(C2C1C(C(=C2C(=O)OC(C)(C)C)OC)(CC=C)C(=O)OC(C)(C)C)(CC=C)C(=O)OC(C)(C)C)OC","UKCKGXZSOBPMRS-UHFFFAOYSA-N",363106,NA,"PDBC54130","627676","Present",NA,NA
+"54131","Tetra-.mu.-acetato(O1,O2)-dimolybdenum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetra-.mu.-acetato(O1,O2)-dimolybdenum(II)",NA,"CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[Mo+2].[Mo+2]","DOOLFANBWPPEGQ-UHFFFAOYSA-J",366095,NA,"PDBC54131","634362","Present",NA,NA
+"54132","Tetra-N-(S)-1-phenyl ethylamine b-Ala",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetra-n-(s)-1-phenyl ethylamine b-ala",NA,"CC(C1=CC=CC=C1)NCCC(=O)N(CCC(=O)N(CCC(=O)N(CCC(=O)O)C(C)C2=CC=CC=C2)C(C)C3=CC=CC=C3)C(C)C4=CC=CC=C4","HCFYXPYEIYXRNQ-MGXDLYCJSA-N",45028381,NA,"PDBC54132","742383","Present",NA,NA
+"54133","Tetra-O-methyl nordihydroguaiaretic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Terameprocol",NA,"CC(CC1=CC(=C(C=C1)OC)OC)C(C)CC2=CC(=C(C=C2)OC)OC","ORQFDHFZSMXRLM-UHFFFAOYSA-N",97616,NA,"PDBC54133","136955","Present",NA,NA
+"54134","Tetra-p-anisidyl-oxalamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetra-p-anisidyl-oxalamidine",NA,"COC1=CC=C(C=C1)NC(=NC2=CC=C(C=C2)OC)C(=NC3=CC=C(C=C3)OC)NC4=CC=C(C=C4)OC","ARXYQPDWSPCPBP-UHFFFAOYSA-N",388030,NA,"PDBC54134","682455","Present",NA,NA
+"54135","Tetraacetoneoximatotitanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetraacetoneoximatotitanium(IV)",NA,"CC(=NO)C.CC(=NO)C.CC(=NO)C.CC(=NO)C.[Ti]","KUMWUIGRDPDVRK-UHFFFAOYSA-N",366540,NA,"PDBC54135","635154","Present",NA,NA
+"54136","Tetrabenzo(b,j,n)(1,5,9,13)tetracyclohexadecaneplatinum-(II)]dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrabenzo(b,f,j,n)(1,5,9,13)tetracyclohexadecaneplatinu...",NA,"C1=CC=C2C(=C1)C=NC3=CC=CC=C3C=NC4=CC=CC=C4C=NC5=CC=CC=C5C=N2.[Cl-].[Pt+2]","NNWHEZOGUUMKIZ-UHFFFAOYSA-M",54608915,NA,"PDBC54136","633560","Present",NA,NA
+"54137","Tetrabromo-3-cyclopentene-1,2-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrabromo-3-cyclopentene-1,2-dione",NA,"C1(=C(C(C(=O)C1=O)(Br)Br)Br)Br","RSKJTAAOMZSDTP-UHFFFAOYSA-N",361817,NA,"PDBC54137","625134","Present",NA,NA
+"54138","Tetrabromobis(2,2,6-trimethyl-3,5-heptanedionato)- di-.m...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrabromobis(2,2,6-trimethyl-3,5-heptanedionato)- di-.m...",NA,NA,NA,NA,NA,"PDBC54138","632808","Present",NA,NA
+"54139","Tetrabutylammonium tris(pentafluoroethyl)trifluorophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrabutylammonium tris(pentafluoroethyl)trifluorophosphate",NA,"CCCC[P+](CCCC)(CCCC)CCCC.C(C(F)(F)[P-](C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)(F)F)(F)(F)F","MPHWFTFOTMAHTJ-UHFFFAOYSA-N",21977446,NA,"PDBC54139","747273","Present",NA,NA
+"54140","Tetracarbonyldichloro-.mu.-(benzole-1,4-diamine)-(N1,N2)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetracarbonyldichloro-.mu.-(benzole-1,4-diamine)-(N1,N2)...",NA,NA,NA,NA,NA,"PDBC54140","632874","Present",NA,NA
+"54141","Tetracarboxy iron phthalocyanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetracarboxy iron phthalocyanine",NA,"C1=CC2=C(C=C1C(=O)[O-])C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=CC(=C8)C(=O)[O-])C(=N7)N=C2[N-]3)C(=O)[O-])C9=C4C=CC(=C9)C(=O)[O-].[Fe+2]","MZUMAZJKCGXGHA-UHFFFAOYSA-H",369296,NA,"PDBC54141","641046","Present",NA,NA
+"54142","Tetracarboxyamide cobalt phthalocyanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetracarboxyamide cobalt phthalocyanine",NA,"C1=CC2=C(C=C1C(=O)N)C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)C(=O)N)C(=N7)N=C2[N-]3)C(=O)N)C9=C4C=CC(=C9)C(=O)N.[Co+2]","VVXNISPTVYJSFM-UHFFFAOYSA-L",369298,NA,"PDBC54142","641047","Present",NA,NA
+"54143","Tetracarboxyphthalocyanine-Gadolinium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetracarboxyphthalocyanine-Gadolinium",NA,"C1=CC2=C(C=C1C(=O)[O-])C3=NC4=NC(=NC5=C6C=CC(=CC6=C([N-]5)N=C7C8=C(C=C(C=C8)C(=O)[O-])C(=N7)N=C2[N-]3)C(=O)[O-])C9=C4C=CC(=C9)C(=O)[O-].[K+].[Gd+3]","WXOTXMJBQOADGK-UHFFFAOYSA-H",54608636,NA,"PDBC54143","640688","Present",NA,NA
+"54144","Tetracenomycin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetracenomycin C",NA,NA,NA,NA,NA,"PDBC54144","309451","Present",NA,NA
+"54145","Tetracenomycin C, amino-butyryl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TETRACENOMYCIN C, AMINO-BUTYRYL-",NA,"CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4(C(=O)C=C(C(=C4C3=O)OC(=O)CC(C)N)OC)O)OC)C(=O)OC.Cl","FTVKQYHEOUTFNU-UHFFFAOYSA-N",24200289,NA,"PDBC54145","365356","Present",NA,NA
+"54146","Tetrachloro-2,2'-bichinolineniobium(V)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrachloro-2,2'-bichinolineniobium(V)chloride",NA,NA,NA,NA,NA,"PDBC54146","632726","Present",NA,NA
+"54147","Tetrachloro-2,2'-bipyridineniobium(V)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrachloro-2,2'-bipyridineniobium(V)chloride",NA,NA,NA,NA,NA,"PDBC54147","632725","Present",NA,NA
+"54148","Tetrachloro-9,10-phenanthrolineniobium(V)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrachloro-9,10-phenanthrolineniobium(V)chloride",NA,NA,NA,NA,NA,"PDBC54148","632591","Present",NA,NA
+"54149","Tetrachlorobis(2,2,6-trimethyl-3,5-heptanedionato)- di-....",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrachlorobis(2,2,6-trimethyl-3,5-heptanedionato)- di-....",NA,NA,NA,NA,NA,"PDBC54149","632809","Present",NA,NA
+"54150","Tetrachlorobis(4-amino-4H-1,2,4-triazole)ruthenium(IV) t...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrachlorobis(4-amino-4H-1,2,4-triazole)ruthenium(IV) t...",NA,NA,NA,NA,NA,"PDBC54150","632866","Present",NA,NA
+"54151","Tetrachlorobis(4-dimethylaminopyridine)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrachlorobis(4-dimethylaminopyridine)titanium(IV)",NA,NA,NA,NA,NA,"PDBC54151","637802","Present",NA,NA
+"54152","Tetrachlorocatechol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrachlorocatechol",NA,"C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)O)O","RRBMVWQICIXSEO-UHFFFAOYSA-N",14537,NA,"PDBC54152","29027","Present",NA,NA
+"54153","Tetracyanoethylene-Cyclohepta[cd]benzofuran Diels Alder ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetracyanoethylene-Cyclohepta[cd]benzofuran Diels Alder ...",NA,"C1=CC2=C3C(=C1)OC=C3C4C=CC2C(C4(C#N)C#N)(C#N)C#N","IXBYUNCAQXOWQZ-UHFFFAOYSA-N",363912,NA,"PDBC54153","629301","Present",NA,NA
+"54154","Tetracyclo(6.2.1.1(3,6).0(2,7))dodec-4-ene-11-ol, stereoisomer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetracyclo(6.2.1.1(3,6).0(2,7))dodec-4-ene-11-ol, stereoisomer",NA,"C1CC2C3C4CC(C3C1C2O)C=C4","NGFZLQIRULRVPV-UHFFFAOYSA-N",141393,NA,"PDBC54154","625467","Present",NA,NA
+"54155","Tetradecahydro-2,3-phenazinediamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetradecahydro-2,3-phenazinediamine",NA,"C1CCC2C(C1)NC3CC(C(CC3N2)N)N","IVGKTVAEYQVELZ-UHFFFAOYSA-N",381308,NA,"PDBC54155","667746","Present",NA,NA
+"54156","Tetradecahydropyrazino[2,3-g]quinoxaline-2,3,7,8-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetradecahydropyrazino[2,3-g]quinoxaline-2,3,7,8-tetrol",NA,"C1C2C(CC3C1NC(C(N3)O)O)NC(C(N2)O)O","OFPNLNKBXSYWGV-UHFFFAOYSA-N",381327,NA,"PDBC54156","667848","Present",NA,NA
+"54157","Tetradecanoic acid--4-O-hexopyranosylhexose (1/1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetradecanoic acid--4-O-hexopyranosylhexose (1/1)",NA,"CCCCCCCCCCCCCC(=O)O.C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O","YQWORSHOGLRIKL-UHFFFAOYSA-N",303617,NA,"PDBC54157","192744","Present",NA,NA
+"54158","Tetradecylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"myristylamine",NA,"CCCCCCCCCCCCCCN","PLZVEHJLHYMBBY-UHFFFAOYSA-N",16217,NA,"PDBC54158","66437","Present",NA,NA
+"54159","Tetradecylpyridinium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Fixanol VR",NA,"CCCCCCCCCCCCCC[N+]1=CC=CC=C1.[Br-]","HJNAJKBRYDFICV-UHFFFAOYSA-M",62379,NA,"PDBC54159","148339","Present",NA,NA
+"54160","Tetraethyl 10,27-bis(sulfanylidene)-3,7,9,11,13,17,20,24,26,28,30,34-dodecathia-35,36,37,38-tetrazaheptacyclo[30.2.1.12,5.115,18.119,22.08,12.025,29]octatriaconta-1(35),2(38),4,8(12),15,18(37),19(36),21,25(29),32-decaene-4,16,21,33-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetraethyl 10,27-bis(sulfanylidene)-3,7,9,11,13,17,20,24,26,28,30,34-dodecathia-35,36,37,38-tetrazaheptacyclo[30.2.1.12,5.115,18.119,22.08,12.025,29]octatriaconta-1(35),2(38),4,8(12),15,18(37),19(36),",NA,"CCOC(=O)C1=C2CSC3=C(SCC4=C(SC(=N4)C5=NC(=C(S5)C(=O)OCC)CSC6=C(SCC7=C(SC(=N7)C(=N2)S1)C(=O)OCC)SC(=S)S6)C(=O)OCC)SC(=S)S3","OZYUPTCHACFCSS-UHFFFAOYSA-N",378738,NA,"PDBC54160","661838","Present",NA,NA
+"54161","Tetraethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetraethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate",NA,"CCOC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OCC)C(=O)OCC)SSC2=O)C(=O)OCC","SWFNHNRUYGVKEG-UHFFFAOYSA-N",399524,NA,"PDBC54161","710387","Present",NA,NA
+"54162","Tetraethyl 4-thioxo-4H-thieno[3,2-c]thiopyran-2,3,6,7-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetraethyl 4-thioxo-4H-thieno[3,2-c]thiopyran-2,3,6,7-te...",NA,"CCOC(=O)C1=C(SC2=C1C(=S)SC(=C2C(=O)OCC)C(=O)OCC)C(=O)OCC","PJZQFTAXLNFKSF-UHFFFAOYSA-N",16766547,NA,"PDBC54162","732992","Present",NA,NA
+"54163","Tetraethyl 5,5'-furan-2,5-diylbis(3-propyl-1H-pyrrole-2,4-dicarboxylate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Diethyl 5-[5-[3,5-bis(ethoxycarbonyl)-4-propyl-1H-pyrrol-2-yl]furan-2-yl]-3-propyl-1H-pyrrole-2,4-dicarboxylate",NA,"CCCC1=C(NC(=C1C(=O)OCC)C2=CC=C(O2)C3=C(C(=C(N3)C(=O)OCC)CCC)C(=O)OCC)C(=O)OCC","DEHAKLQHVONSFP-UHFFFAOYSA-N",374808,NA,"PDBC54163","653145","Present",NA,NA
+"54164","Tetraethyleniminobenzo-quinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetraethyleniminobenzoquinone",NA,"C1CN1C2=C(C(=O)C(=C(C2=O)N3CC3)N4CC4)N5CC5","GNSPPAGSLFPHSZ-UHFFFAOYSA-N",95735,NA,"PDBC54164","31717","Present",NA,NA
+"54165","Tetrahydro-1-(2-chlorobenzyl)-2-thioxo-3-propyl-6-methylpyrimidin-4(3H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2-Chlorophenyl)methyl]-6-methyl-3-propyl-2-thioxo-hexahydropyrimidin-4-one",NA,"CCCN1C(=O)CC(N(C1=S)CC2=CC=CC=C2Cl)C","FVKOJEWXYSVSIP-UHFFFAOYSA-N",397507,NA,"PDBC54165","705629","Present",NA,NA
+"54166","Tetrahydro-1H,5H-pyrazolo[1,2-a]pyrazole-1,5-dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PFNRLXIIUAPJTP-UHFFFAOYSA-N",NA,"C1CN2C(=O)CCN2C1=O","PFNRLXIIUAPJTP-UHFFFAOYSA-N",366018,NA,"PDBC54166","634193","Present",NA,NA
+"54167","Tetrahydro-2'-deoxyuridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrahydro-2'-deoxyuridine",NA,"C1CN(C(=O)NC1O)C2CC(C(O2)CO)O","RSRNLJYSWSSQMW-UHFFFAOYSA-N",356652,NA,"PDBC54167","613315","Present",NA,NA
+"54168","Tetrahydro-3-methyl-4-[(diethylthiocarbamoyl)thio]-2-[bis(2-chloroethyl)amino]-2H-1,3,2-oxazaphosphorine 2-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[Bis(2-chloroethyl)amino]-3-methyl-2-oxido-1,3,2-oxazaphosphinan-4-yl diethylcarbamodithioate",NA,"CCN(CC)C(=S)SC1CCOP(=O)(N1C)N(CCCl)CCCl","NWUUTAVBTIUBPX-UHFFFAOYSA-N",368012,NA,"PDBC54168","638241","Present",NA,NA
+"54169","Tetrahydro-3a,3b-diaza-cyclopropadicyclopentene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrahydro-3a,3b-diaza-cyclopropadicyclopentene",NA,"C1CC23CCCN2N3C1","SEKBAPQAQRVRTA-UHFFFAOYSA-N",370158,NA,"PDBC54169","642896","Present",NA,NA
+"54170","Tetrahydro-pyrrolo[1,2-c]thiazole-3-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrahydro-pyrrolo[1,2-c]thiazole-3-thione",NA,"C1CC2CSC(=S)N2C1","WDPQMHSMDSUSGJ-UHFFFAOYSA-N",363821,NA,"PDBC54170","629036","Present",NA,NA
+"54171","Tetrahydroharmalol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrahydroharmol hydrochloride",NA,"CC1C2=C(CCN1)C3=C(N2)C=C(C=C3)O.Cl","TYXYXJVYLIKWFG-UHFFFAOYSA-N",368981,NA,"PDBC54171","640462","Present",NA,NA
+"54172","Tetrahydropyran-4-yl 2-diazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrahydropyran-4-yl 2-diazoacetate",NA,"C1COCCC1OC(=O)C=[N+]=[N-]","YDWUKWCUOJKCJG-UHFFFAOYSA-N",386734,NA,"PDBC54172","679279","Present",NA,NA
+"54173","Tetrahydrovermiculin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrahydrovermiculin",NA,"CC(=O)CC1CCC(=O)CCC(=O)OC(CCC(=O)CCC(=O)O1)CC(=O)C","BANPLRUNKASJCB-UHFFFAOYSA-N",376408,NA,"PDBC54173","657322","Present",NA,NA
+"54174","Tetrahydroxyethylaminomethyl-Melamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrahydroxyethylaminomethyl-Melamine",NA,"C(CO)NCNC1=NC(=NC(=N1)N(CNCCO)CNCCO)NCNCCO","BOSXBNSTXUXXMM-UHFFFAOYSA-N",379773,NA,"PDBC54174","664852","Present",NA,NA
+"54175","Tetraisopentylgermane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetraisoamylgermane",NA,"CC(C)CC[Ge](CCC(C)C)(CCC(C)C)CCC(C)C","KVLOTNWFWJRQCI-UHFFFAOYSA-N",354625,NA,"PDBC54175","606873","Present",NA,NA
+"54176","Tetrakis(1,3-dionato)-mu-bis (ethylen-1,2-diethyl-1,2-diphenolato-O1,O2)dititanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(1,3-diphenylpropane-1,3-dionato)-.mu.-bis (ethy...",NA,"CCC(=C(CC)C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)[O-].CCC(=C(CC)C1=CC=C(C=C1)[O-])C2=CC=C(C=C2)[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ti+4].[Ti+4]","JRDOBVULEJVBMG-YQPQJIHPSA-J",54600725,NA,"PDBC54176","639600","Present",NA,NA
+"54177","Tetrakis(1-amidosulfone-4-isocyanobenzole)rhodium- (I)ch...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(1-amidosulfone-4-isocyanobenzole)rhodium- (I)ch...",NA,NA,NA,NA,NA,"PDBC54177","632593","Present",NA,NA
+"54178","Tetrakis(1-amino-4-isocyanobenzole)rhodium(I)- chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(1-amino-4-isocyanobenzole)rhodium(I)- chloride",NA,NA,NA,NA,NA,"PDBC54178","632594","Present",NA,NA
+"54179","Tetrakis(1-bromo-4-isocyano-3,5-dimethylbenzole)- rhodiu...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(1-bromo-4-isocyano-3,5-dimethylbenzole)- rhodiu...",NA,NA,NA,NA,NA,"PDBC54179","632595","Present",NA,NA
+"54180","Tetrakis(1-fluoro-4-isocyano)rhodium(I)- tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(1-fluoro-4-isocyano)rhodium(I)- tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC54180","632596","Present",NA,NA
+"54181","Tetrakis(1-phenylbutane-1,3-dionato)-di-.mu.-chloro-diti...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(1-phenylbutane-1,3-dionato)-di-.mu.-chloro-diti...",NA,NA,NA,NA,NA,"PDBC54181","637206","Present",NA,NA
+"54182","Tetrakis(2,6,6-tetramethylpiperidine-4-olato) titanium(IV)-tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(2,2,6,6-tetramethylpiperidine-4-olato) titanium...",NA,"CC1(CC(CC(N1)(C)C)O)C.CC1(CC(CC(N1)(C)C)O)C.CC1(CC(CC(N1)(C)C)O)C.CC1(CC(CC(N1)(C)C)O)C.Cl.[Ti]","SETDMJZREMRIQS-UHFFFAOYSA-N",368296,NA,"PDBC54182","638841","Present",NA,NA
+"54183","Tetrakis(2-(1,3-dithian-5-yl)benzyl) 1,2,4,5-benzenetetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(2-(1,3-dithian-5-yl)benzyl) 1,2,4,5-benzenetetracarboxylate",NA,"C1C(CSCS1)C2=CC=CC=C2COC(=O)C3=CC(=C(C=C3C(=O)OCC4=CC=CC=C4C5CSCSC5)C(=O)OCC6=CC=CC=C6C7CSCSC7)C(=O)OCC8=CC=CC=C8C9CSCSC9","BISMSHPAWYEYKC-UHFFFAOYSA-N",374815,NA,"PDBC54183","653152","Present",NA,NA
+"54184","Tetrakis(2-formylbenzyl) 1,2,4,5-benzenetetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(2-formylbenzyl) 1,2,4,5-benzenetetracarboxylate",NA,"C1=CC=C(C(=C1)COC(=O)C2=CC(=C(C=C2C(=O)OCC3=CC=CC=C3C=O)C(=O)OCC4=CC=CC=C4C=O)C(=O)OCC5=CC=CC=C5C=O)C=O","NUCUQUGNRLHIEH-UHFFFAOYSA-N",374814,NA,"PDBC54184","653151","Present",NA,NA
+"54185","Tetrakis(3-dimethylaminophenolato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(3-dimethylaminophenolato)titanium(IV)",NA,"CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].CN(C)C1=CC=C(C=C1)[O-].[Ti+4]","VQPQZSYJOCTSPC-UHFFFAOYSA-J",368281,NA,"PDBC54185","638750","Present",NA,NA
+"54186","Tetrakis(4-N,N-dimethylamine-1-hydroxybenzolato-O-)silicon (IV)-tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(4-N,N-dimethylamine-1-hydroxybenzolato-O-)silic...",NA,"CN(C)C1=CC=C(C=C1)O[Si](OC2=CC=C(C=C2)N(C)C)(OC3=CC=C(C=C3)N(C)C)OC4=CC=C(C=C4)N(C)C.Cl","PUZAPLZTHRMBQS-UHFFFAOYSA-N",365308,NA,"PDBC54186","632864","Present",NA,NA
+"54187","Tetrakis(4-hydroxypyridinato)germanium(IV) tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(4-hydroxypyridinato)germanium(IV) tetrahydrochl...",NA,"C1=CC(=CN=C1)O[Ge](OC2=CN=CC=C2)(OC3=CN=CC=C3)OC4=CN=CC=C4.Cl","YOWYXGVIQSBTGU-UHFFFAOYSA-N",16683559,NA,"PDBC54187","632743","Present",NA,NA
+"54188","Tetrakis(4-hydroxypyridinato)silicon(IV)-tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(4-hydroxypyridinato)silicon(IV)- tetrahydrochlo...",NA,"C1=CC(=CN=C1)O[Si](OC2=CN=CC=C2)(OC3=CN=CC=C3)OC4=CN=CC=C4.Cl","AXKHEGRHLAJEKF-UHFFFAOYSA-N",365252,NA,"PDBC54188","632741","Present",NA,NA
+"54189","Tetrakis(4-methyltropolonato)thorium(IV)-hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(4-methyltropolonato)thorium(IV)-hydrate",NA,"CC1=CC=CC(=O)C(=C1)[O-].CC1=CC=CC(=O)C(=C1)[O-].CC1=CC=CC(=O)C(=C1)[O-].CC1=CC=CC(=O)C(=C1)[O-].[Th+4]","BAXCUJQXPJZCMT-UHFFFAOYSA-J",438410,NA,"PDBC54189","635893","Present",NA,NA
+"54190","Tetrakis(8-chinolineolato)titanium(IV)-tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(8-chinolineolato)titanium(IV)-tetrahydrochloride",NA,"C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.Cl.[Ti+4]","WPJOFMXZHYSKBL-UHFFFAOYSA-J",368279,NA,"PDBC54190","638748","Present",NA,NA
+"54191","Tetrakis(N,N-diethyl-2-aminoethanolato)germanium(IV)- te...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(N,N-diethyl-2-aminoethanolato)germanium(IV)- te...",NA,NA,NA,NA,NA,"PDBC54191","632813","Present",NA,NA
+"54192","Tetrakis(N,N-diethyl-2-aminoethanolato)silicon(IV)-tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(N,N-diethyl-2-aminoethanolato)silicon(IV)- tetr...",NA,"CCN(CC)CCO[Si](OCCN(CC)CC)(OCCN(CC)CC)OCCN(CC)CC.Cl","BMEQNAGPSDHMRS-UHFFFAOYSA-N",365254,NA,"PDBC54192","632742","Present",NA,NA
+"54193","Tetrakis(mu-3-phenylpropionato)dimolybdenum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(.mu.-3-phenylpropionato)dimolybdenum(II)",NA,"C1=CC=C(C=C1)CCC(=O)[O-].C1=CC=C(C=C1)CCC(=O)[O-].C1=CC=C(C=C1)CCC(=O)[O-].C1=CC=C(C=C1)CCC(=O)[O-].[Mo+2].[Mo+2]","DLSNVUPHFSXVHI-UHFFFAOYSA-J",368534,NA,"PDBC54193","639609","Present",NA,NA
+"54194","Tetrakis(mu-tridecanato)dimolybdenum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(.mu.-tridecanato)dimolybdenum(II)",NA,"CCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCC(=O)[O-].[Mo+2].[Mo+2]","KYUAIIXHQNZRFU-UHFFFAOYSA-J",368533,NA,"PDBC54194","639608","Present",NA,NA
+"54195","Tetrakis(pentane-2,4-dionato)zirconium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(pentane-2,4-dionato)zirconium(IV)",NA,"CC(=O)[CH-]C(=O)C.CC(=O)[CH-]C(=O)C.CC(=CC(=O)C)[O-].CC(=CC(=O)C)[O-].[Zr+4]","JZKGDVHMAIKBGX-VGKOASNMSA-L",5388409,NA,"PDBC54195","635900","Present",NA,NA
+"54196","Tetrakis(phenylisonitrile)rhodium(I)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis(phenylisonitrile)rhodium(I)chloride",NA,NA,NA,NA,NA,"PDBC54196","632597","Present",NA,NA
+"54197","Tetrakis-.mu.-acetatodiruthenium(II,III)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis-.mu.-acetatodiruthenium(II,III)chloride",NA,NA,NA,NA,NA,"PDBC54197","632616","Present",NA,NA
+"54198","Tetrakis-2-ethylimidazolium-.mu.-oxobis- pentachlororuth...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis-2-ethylimidazolium-.mu.-oxobis- pentachlororuth...",NA,NA,NA,NA,NA,"PDBC54198","630117","Present",NA,NA
+"54199","Tetrakis[[3-[(1-adamantylazaniumyl)methyl]phenyl]methyl]azanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis{3-[(tricyclo[3.3.1.13,7]decan-1-ammonio)methyl]...",NA,"C1C2CC3CC1CC(C2)(C3)[NH2+]CC4=CC(=CC=C4)C[N+](CC5=CC=CC(=C5)C[NH2+]C67CC8CC(C6)CC(C8)C7)(CC9=CC=CC(=C9)C[NH2+]C12CC3CC(C1)CC(C3)C2)CC1=CC=CC(=C1)C[NH2+]C12CC3CC(C1)CC(C3)C2","PVVXNXLGIJPNLQ-UHFFFAOYSA-R",155811978,NA,"PDBC54199","796018","Present",NA,NA
+"54200","Tetrakis[pyridine-2-ethanolato]germanium(IV)- tetrahydro...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakis[pyridine-2-ethanolato]germanium(IV)- tetrahydro...",NA,NA,NA,NA,NA,"PDBC54200","634363","Present",NA,NA
+"54201","Tetrakisindazolium[.mu.-oxo-bis(pentachlororuthenate(III)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakisindazolium[.mu.-oxo-bis(pentachlororuthenate(III)]",NA,NA,NA,NA,NA,"PDBC54201","641071","Present",NA,NA
+"54202","Tetrakisoxinatogermanium(IV)-tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakisoxinatogermanium(IV)-tetrahydrochloride",NA,NA,NA,NA,NA,"PDBC54202","632744","Present",NA,NA
+"54203","Tetrakisoxinatosilicon(IV)tetrahydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrakisoxinatosilicon(IV)tetrahydrochloride",NA,NA,NA,NA,NA,"PDBC54203","632862","Present",NA,NA
+"54204","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(2-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(2-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC1=CC=CC=C1C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC","KDICBRQFLONUFQ-CNEPXUPLSA-N",54685702,NA,"PDBC54204","705288","Present",NA,NA
+"54205","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(3-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(3-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC1=CC=CC(=C1)C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC","IHUSGBBAGWXRFV-HECJEKJZSA-N",54681581,NA,"PDBC54205","712409","Present",NA,NA
+"54206","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-hydroxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-hydroxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)O","IFOAPANXPSPOLP-MVHBULNSSA-N",54681579,NA,"PDBC54206","712407","Present",NA,NA
+"54207","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-methoxyphenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC1=CC=C(C=C1)C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC","DBEGLZYNHNSJLZ-HECJEKJZSA-N",54681580,NA,"PDBC54207","712408","Present",NA,NA
+"54208","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-nitrophenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-(4-nitrophenyl)bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]","LVFHGFLZGINWEB-MVHBULNSSA-N",54685701,NA,"PDBC54208","705287","Present",NA,NA
+"54209","Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-[4-(trifluoromethyl)phenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6R,7R,9R)-3,5-dihydroxy-7-[4-(trifluoromethyl)phenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)C(F)(F)F","ZBGIYMWAGFIGPK-MVHBULNSSA-N",54681576,NA,"PDBC54209","712404","Present",NA,NA
+"54210","Tetramethyl (1R,5R,6R,7R,9R)-7-(3,4-dimethoxyphenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6R,7R,9R)-7-(3,4-dimethoxyphenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC1=C(C=C(C=C1)C2CC3C(C(C2C(=O)OC)(C(C(=C3C(=O)OC)O)C(=O)OC)O)C(=O)OC)OC","XCBZDQYTBGZIMS-PCXALJEHSA-N",54681582,NA,"PDBC54210","712410","Present",NA,NA
+"54211","Tetramethyl (1R,5R,6R,7R,9R)-7-(4-chlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6R,7R,9R)-7-(4-chlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)Cl","TUUHNOZMHVVDDA-MVHBULNSSA-N",54681574,NA,"PDBC54211","712402","Present",NA,NA
+"54212","Tetramethyl (1R,5R,6R,7R,9R)-7-(4-fluorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6R,7R,9R)-7-(4-fluorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)F","CJOIBKMLPOXBIQ-MVHBULNSSA-N",54681575,NA,"PDBC54212","712403","Present",NA,NA
+"54213","Tetramethyl (1R,5R,6S,7R,8R,9S)-3,5-dihydroxy-8-methyl-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,8R,9S)-3,5-dihydroxy-8-methyl-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1C(C(C2(C(C1C(=C(C2C(=O)OC)O)C(=O)OC)C(=O)OC)O)C(=O)OC)C3=CC=CC=C3","YNCCBLKIFLZZQY-RLMMETTGSA-N",54685700,NA,"PDBC54213","705286","Present",NA,NA
+"54214","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=C(C=C(C=C3)Cl)Cl)C4=C(C=C(C=C4)Cl)Cl)C(=O)OC)O)C(=O)OC","QXHANBQFRJIDFZ-WQEMHUCGSA-N",5470175,NA,"PDBC54214","698265","Present",NA,NA
+"54215","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)OC)O)C(=O)OC","MKSAROVFICBUKJ-DYOLJDKESA-N",5470173,NA,"PDBC54215","698263","Present",NA,NA
+"54216","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(=O)OC)O)C(=O)OC)C5=CC=CC=C5","FNJKZPRXBACYDJ-MPSIXJMJSA-N",5470807,NA,"PDBC54216","705292","Present",NA,NA
+"54217","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-diphenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2,3-diphenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC)O)C(=O)OC","MIRJVXJQLKULGY-MOMZVVPPSA-N",5470170,NA,"PDBC54217","698260","Present",NA,NA
+"54218","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(2,4-dichlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(2,4-dichlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl)C(=O)OC)O)C(=O)OC","BTDPTPOXOOUXIR-YNJVNDGNSA-N",5470174,NA,"PDBC54218","698264","Present",NA,NA
+"54219","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(4-chlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-2-(4-chlorophenyl)-3-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=CC=C3)C4=CC=C(C=C4)Cl)C(=O)OC)O)C(=O)OC","DHHHELOPOSYEOF-IQNIIWPSSA-N",5470172,NA,"PDBC54219","698262","Present",NA,NA
+"54220","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(2,6-difluorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(2,6-difluorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=C(C=CC=C3F)F)C4=CC=CC=C4)C(=O)OC)O)C(=O)OC","QZLTYRJCLFSBKK-PEPBNREGSA-N",5470805,NA,"PDBC54220","705290","Present",NA,NA
+"54221","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)-2-phenylprop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OC)O)C(=O)OC","VDPXKDZEFBPOEN-IQNIIWPSSA-N",5470171,NA,"PDBC54221","698261","Present",NA,NA
+"54222","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C=CC3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC","YDJUPAGULNDVMA-VNXAYRSNSA-N",5470804,NA,"PDBC54222","705289","Present",NA,NA
+"54223","Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)OC(=O)C=CC3=CC=C(C=C3)Cl)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4","RHNSIKHBGRFOHZ-OBQGSNGKSA-N",5470806,NA,"PDBC54223","705291","Present",NA,NA
+"54224","Tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C3=CC=CC=C3)C(=O)OC)O)C(=O)OC","JAIUXRGDJWIKDJ-FTAMHOEXSA-N",394666,NA,"PDBC54224","698268","Present",NA,NA
+"54225","Tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-3-benzoyloxy-5-hydroxy-7-phenylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)OC(=O)C3=CC=CC=C3)C(=O)OC)O)C(=O)OC)C4=CC=CC=C4","DVWAEBWELUSHIL-MXZFEKPTSA-N",400513,NA,"PDBC54225","712411","Present",NA,NA
+"54226","Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-3-[(E)-2-(4-methoxyphenyl)-3-phenylprop-2-enoyl]oxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-3-[(E)-2-(4-methoxyphenyl)-3-phenylprop-2-enoyl]oxy-7-methylbicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=CC=C3)C4=CC=C(C=C4)OC)C(=O)OC)O)C(=O)OC","JWRMORPBBCDVNQ-DEOFUFIFSA-N",5470177,NA,"PDBC54226","698267","Present",NA,NA
+"54227","Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-2-(4-nitrophenyl)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C(=CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C(=O)OC)O)C(=O)OC","WPWUOUCLQAWSMJ-IQNIIWPSSA-N",5470176,NA,"PDBC54227","698266","Present",NA,NA
+"54228","Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,7R,9S)-5-hydroxy-7-methyl-3-[(E)-3-phenylprop-2-enoyl]oxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"CC1CC2C(C(C1C(=O)OC)(C(C(=C2C(=O)OC)OC(=O)C=CC3=CC=CC=C3)C(=O)OC)O)C(=O)OC","NVNCEMBSIAGOMR-IMJCIAPQSA-N",5470169,NA,"PDBC54228","698259","Present",NA,NA
+"54229","Tetramethyl (1R,5R,6S,9S)-3,5-dihydroxy-7-[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,9S)-3,5-dihydroxy-7-[4-[(E)-3-phenylprop-2-enoyl]oxyphenyl]bicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)C=CC4=CC=CC=C4","ICHORRBWBMIVNU-JUFLYIRRSA-N",54681586,NA,"PDBC54229","717065","Present",NA,NA
+"54230","Tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-bis(4-chlorophenyl)prop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)C(=CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl","MSBYKDZWICVAQC-YOONOSBESA-N",54681588,NA,"PDBC54230","717067","Present",NA,NA
+"54231","Tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-diphenylprop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5R,6S,9S)-7-[4-[(E)-2,3-diphenylprop-2-enoyl]oxyphenyl]-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=CC=C(C=C3)OC(=O)C(=CC4=CC=CC=C4)C5=CC=CC=C5","LQNQXFAWBLSLLP-VSXQVVOQSA-N",54681587,NA,"PDBC54231","717066","Present",NA,NA
+"54232","Tetramethyl (1R,5S,6R,7R,9R)-7-(2,4-dichlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5S,6R,7R,9R)-7-(2,4-dichlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=C(C=C(C=C3)Cl)Cl","LZVBNLCGQXZAMG-ZRHGNVNQSA-N",54681577,NA,"PDBC54232","712405","Present",NA,NA
+"54233","Tetramethyl (1R,5S,6R,7R,9R)-7-(2,6-dichlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl (1R,5S,6R,7R,9R)-7-(2,6-dichlorophenyl)-3,5-dihydroxybicyclo[3.3.1]non-2-ene-2,4,6,9-tetracarboxylate",NA,"COC(=O)C1C(CC2C(C1(C(C(=C2C(=O)OC)O)C(=O)OC)O)C(=O)OC)C3=C(C=CC=C3Cl)Cl","ADEJSGRFPSWLJG-NFCHHBCHSA-N",54681578,NA,"PDBC54233","712406","Present",NA,NA
+"54234","Tetramethyl 12,14-dioxo-13-oxahexacyclo[8.5.2.12,5.02,9.06,9.011,15]octadeca-3,7,16-triene-3,4,7,8-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl 12,14-dioxo-13-oxahexacyclo[8.5.2.12,5.02,9.06,9.011,15]octadeca-3,7,16-triene-3,4,7,8-tetracarboxylate",NA,"COC(=O)C1=C(C23CC1C4C2(C5C=CC3C6C5C(=O)OC6=O)C(=C4C(=O)OC)C(=O)OC)C(=O)OC","RFNIHWBEZABOKU-UHFFFAOYSA-N",367127,NA,"PDBC54234","636514","Present",NA,NA
+"54235","Tetramethyl 2,7-dioxotricyclo[6.2.0.0(3,6)]decane-4,5,9,10-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl 2,7-dioxotricyclo[6.2.0.03,6]decane-4,5,9,10-tetracarboxylate",NA,"COC(=O)C1C2C(C1C(=O)OC)C(=O)C3C(C2=O)C(C3C(=O)OC)C(=O)OC","ABROGWXICUPYEM-UHFFFAOYSA-N",361825,NA,"PDBC54235","625143","Present",NA,NA
+"54236","Tetramethyl 2-((diisopropylamino)carbonyl)-1,3,5,7-cubanetetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl 2-((diisopropylamino)carbonyl)-1,3,5,7-cubanetetracarboxylate",NA,"CC(C)N(C(C)C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC","GUEHEIILPKODKU-UHFFFAOYSA-N",386911,NA,"PDBC54236","679812","Present",NA,NA
+"54237","Tetramethyl 3'-(4-chlorophenyl)iminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl 3'-(4-chlorophenyl)iminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate",NA,"COC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC)C(=O)OC)SSC2=NC4=CC=C(C=C4)Cl)C(=O)OC","VUEGQBFOBLBSQI-UHFFFAOYSA-N",402820,NA,"PDBC54237","717071","Present",NA,NA
+"54238","Tetramethyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[1,3-dithiole-2,7'(3'H)-[1,2]dithiolo[4,3-b]- thiop...",NA,"COC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC)C(=O)OC)SSC2=O)C(=O)OC","HAODYRSOCXZKBJ-UHFFFAOYSA-N",389753,NA,"PDBC54238","686349","Present",NA,NA
+"54239","Tetramethyl 3'-tert-butyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl 3'-tert-butyliminospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate",NA,"CC(C)(C)N=C1C2=C(C3(C(=C(S2)C(=O)OC)C(=O)OC)SC(=C(S3)C(=O)OC)C(=O)OC)SS1","FRVVSSMVTVLIBH-UHFFFAOYSA-N",402822,NA,"PDBC54239","717073","Present",NA,NA
+"54240","Tetramethyl 4,8-dioxothiopyrano[3,2-b]thiopyran-2,3,6,7-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl 4,8-dioxothiopyrano[3,2-b]thiopyran-2,3,6,7-tetracarboxylate",NA,"COC(=O)C1=C(SC2=C(C1=O)SC(=C(C2=O)C(=O)OC)C(=O)OC)C(=O)OC","AAPHSUKJUWKPJM-UHFFFAOYSA-N",391111,NA,"PDBC54240","689729","Present",NA,NA
+"54241","Tetramethyl 4-(dimethylamino)-4H-thiopyran-2,3,5,6-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl 4-(dimethylamino)-4H-thiopyran-2,3,5,6-tetracarboxylate",NA,"CN(C)C1C(=C(SC(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC","YXSQHFGZMQCWJG-UHFFFAOYSA-N",395141,NA,"PDBC54241","699432","Present",NA,NA
+"54242","Tetramethyl 4-methoxy-3-[1,2,3-tris(methoxycarbonyl)cycloprop-2-en-1-yl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-1,2,5,6-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl 4-methoxy-5-[1,2,3-tris(methoxycarbonyl)cycloprop-2-en-1-yl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-1,2,3,6-tetracarboxylate",NA,"COC(=O)C1=C(C1(C2=C(C3(C(=C(C2(O3)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC","WRQGNQGZJAHJOH-UHFFFAOYSA-N",361807,NA,"PDBC54242","625126","Present",NA,NA
+"54243","Tetramethyl 7-thioxo-7H-thieno[2,3,4,5-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetramethyl 7-thioxo-7H-thieno[2,3-c]thiopyran-2,3,4,5-t...",NA,"COC(=O)C1=C(SC2=C1C(=C(SC2=S)C(=O)OC)C(=O)OC)C(=O)OC","YEEIIUHPHSXHJV-UHFFFAOYSA-N",24204804,NA,"PDBC54243","732989","Present",NA,NA
+"54244","Tetramethyl spiro[1,3-dithiole-2,4'-5,6,7,8-tetrahydrothiochromene]-2',3',4,5-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl spiro[1,3-dithiole-2,4'-5,6,7,8-tetrahydrothiochromene]-2',3',4,5-tetracarboxylate",NA,"COC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC)C(=O)OC)CCCC2)C(=O)OC","DUNAMSUQFBASFQ-UHFFFAOYSA-N",400533,NA,"PDBC54244","712578","Present",NA,NA
+"54245","Tetramethyl spiro[1,3-dithiole-2,4'-6,7-dihydro-5H-cyclopenta[b]thiopyran]-2',3',4,5-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethyl spiro[1,3-dithiole-2,4'-6,7-dihydro-5H-cyclopenta[b]thiopyran]-2',3',4,5-tetracarboxylate",NA,"COC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC)C(=O)OC)CCC2)C(=O)OC","YITDUKNVNYPKSU-UHFFFAOYSA-N",400532,NA,"PDBC54245","712577","Present",NA,NA
+"54246","Tetramethylammonium bis[decahydro-C- phenyldicarbaundeca...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetramethylammonium bis[decahydro-C- phenyldicarbaundeca...",NA,NA,NA,NA,NA,"PDBC54246","99296","Present",NA,NA
+"54247","Tetramethylbiphosphine disulfide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC666477",NA,"CP(=S)(C)P(=S)(C)C","LGZQQMXQPAHRIH-UHFFFAOYSA-N",96660,NA,"PDBC54247","666477","Present",NA,NA
+"54248","Tetramethylphosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(CH3)4PBr",NA,"C[P+](C)(C)C.[Br-]","ZTXFOCMYRCGSMU-UHFFFAOYSA-M",357594,NA,"PDBC54248","617067","Present",NA,NA
+"54249","Tetramethylrhodamine ethyl ester(1+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TETRAMETHYLRHODAMINE ETHYL ESTER PERCHLORATE",NA,"CCOC(=O)C1=CC=CC=C1C2=C3C=CC(=[N+](C)C)C=C3OC4=C2C=CC(=C4)N(C)C","PQMJQYONVLIFOV-UHFFFAOYSA-N",2762683,NA,"PDBC54249","796216","Present",NA,NA
+"54250","Tetrangulol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrangulol",NA,"CC1=CC2=C(C(=C1)O)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O","NFUYRESOTVGLRL-UHFFFAOYSA-N",99188,NA,"PDBC54250","194618","Present",NA,NA
+"54251","Tetranitrotetrazolium blue",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tnbt",NA,"COC1=C(C=CC(=C1)C2=CC(=C(C=C2)[N+]3=NC(=NN3C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])OC)[N+]6=NC(=NN6C7=CC=C(C=C7)[N+](=O)[O-])C8=CC=C(C=C8)[N+](=O)[O-].[Cl-]","VHGSPFITCDCEAV-UHFFFAOYSA-M",54598912,NA,"PDBC54251","121208","Present",NA,NA
+"54252","Tetraphenylboranuide;triphenyl-(4-phenyl-5-triphenylphosphaniumyl-4,5-dihydro-3H-diphosphol-3-yl)phosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetraphenylboranuide;triphenyl-(4-phenyl-5-triphenylphosphaniumyl-4,5-dihydro-3H-diphosphol-3-yl)phosphanium",NA,NA,NA,NA,NA,"PDBC54252","676863","Present",NA,NA
+"54253","Tetraphenylporphyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640184",NA,"C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)N3","YNHJECZULSZAQK-UHFFFAOYSA-N",86280046,NA,"PDBC54253","640184","Present",NA,NA
+"54254","Tetrasodium meso-tetra(p-sulfonatophenyl)porphine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrasodium meso-tetra(p-sulfonatophenyl)porphine",NA,"C1=CC(=CC=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)S(=O)(=O)O)C8=CC=C(C=C8)S(=O)(=O)O)C=C4)C9=CC=C(C=C9)S(=O)(=O)O)N3)S(=O)(=O)O.[Na+]","MANJPJFOBLAUCC-UHFFFAOYSA-N",135502243,NA,"PDBC54254","322091","Present",NA,NA
+"54255","Tetratert-butyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetratert-butyl 3'-oxospiro[1,3-dithiole-2,7'-dithiolo[4,3-b]thiopyran]-4,5,5',6'-tetracarboxylate",NA,"CC(C)(C)OC(=O)C1=C(SC2=C(C13SC(=C(S3)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)SSC2=O)C(=O)OC(C)(C)C","QIWDCEOPNQMMCM-UHFFFAOYSA-N",400531,NA,"PDBC54255","712576","Present",NA,NA
+"54256","Tetratert-butyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetratert-butyl 8,11-dihydroxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate",NA,"CC(C)(C)OC(=O)C1C(=C(C23C1(CCCC2)C(=C(C3C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O","RWWVYSLRPQCWNK-UHFFFAOYSA-N",54676237,NA,"PDBC54256","626177","Present",NA,NA
+"54257","Tetratert-butyl 8,11-dimethoxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetratert-butyl 8,11-dimethoxytricyclo[4.3.3.01,6]dodeca-7,10-diene-7,9,10,12-tetracarboxylate",NA,"CC(C)(C)OC(=O)C1C(=C(C23C1(CCCC2)C(=C(C3C(=O)OC(C)(C)C)OC)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC","LRIANUOMFJTCSO-UHFFFAOYSA-N",362411,NA,"PDBC54257","626176","Present",NA,NA
+"54258","Tetraxetan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetraxetan",NA,"C1CN(CCN(CCN(CCN1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O","WDLRUFUQRNWCPK-UHFFFAOYSA-N",121841,NA,"PDBC54258","681107","Present",NA,NA
+"54259","Tetrazolium violet",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrazolium violet",NA,"C1=CC=C(C=C1)C2=NN([N+](=N2)C3=CC=CC4=CC=CC=C43)C5=CC=CC=C5.[Cl-]","RONADMZTCCPLEF-UHFFFAOYSA-M",74395,NA,"PDBC54259","89171","Present",NA,NA
+"54260","Tetrazolo[1, 5,6-dihydro-6-(2-deoxy-beta-D-erythrofuranosyl)-8-methyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tetrazolo[1,5-c]pyrimidin-5-one, 5,6-dihydro-6-(2-deoxy-...",NA,"CC1=CN(C(=O)N2C1=NN=N2)C3CC(C(O3)CO)O","UWFUAEJIZCCNJO-UHFFFAOYSA-N",363533,NA,"PDBC54260","628496","Present",NA,NA
+"54261","Tetrocarcin A, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrocarcin a, sodium salt",NA,"CC1CC(C(C2C1C3(C(C=C2)C(=CCC(C(=CC4C(C=C(CC45C(=O)C(=C3O)C(=O)O5)C=O)O)C)OC6CC(C(C(O6)C)NC(=O)OC)(C)[N+](=O)[O-])C)C)OC7CC(C(C(O7)C)OC(=O)C)OC8CCC(C(O8)C)OC9CC(C(C(O9)C)OC1CCC(C(O1)C)O)O)C","QOPRNPHPHOIJNY-NUIAMOMSSA-N",54724658,NA,"PDBC54261","333856","Present",NA,NA
+"54262","Tgg-II-23A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tgg-II-23A",NA,"CC1=CC(=O)C(C2=CC=CC=C12)(C)C3=NC(CO3)(C)C","QRWXKCZIDVOJIQ-UHFFFAOYSA-N",370786,NA,"PDBC54262","644309","Present",NA,NA
+"54263","Thalicarpine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thalicarpin",NA,"CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)OC)OC","ZCTJIMXXSXQXRI-KYJUHHDHSA-N",21470,NA,"PDBC54263","68075","Present",NA,NA
+"54264","Thalicarpine transformation product",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"THALICARPINE TRANSFORMATION PRODUCT",NA,"CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=C6CC7C8=C(C6=C(C=C5)OC)C(=C(C=C8CCN7C)OC)OC)OC)OC.Cl","QFCWXUPULGTOPX-UHFFFAOYSA-N",5351290,NA,"PDBC54264","274893","Present",NA,NA
+"54265","Thalicberine, O-methyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"THALICBERINE, O-METHYL",NA,"CN1CCC2=CC3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)OC)OC","UUURWWVPMHAACP-UHFFFAOYSA-N",320712,NA,"PDBC54265","269189","Present",NA,NA
+"54266","Thalictropine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thalictropine",NA,"CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)OC5=CC(=C(C=C5CC6C7=CC(=C(C=C7CCN6C)OC)OC)OC)OC)O)OC","DRACRVAKPKYPSB-UHFFFAOYSA-N",427204,NA,"PDBC54266","209759","Present",NA,NA
+"54267","Thalifaberidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thalifaberidine",NA,"CN1CCC2=C3C1CC4=C(C(=C(C=C4C3=C(C(=C2OC)OC)OC)OC)O)OC5=CC=C(C=C5)CC6C7=CC(=C(C=C7CCN6C)O)OC","ASHXFBBPKYCWEY-VMPREFPWSA-N",157828,NA,"PDBC54267","676431","Present",NA,NA
+"54268","Thalistyline hydroxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thalistyline",NA,"CN1CCC2=C(C3=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C(=C7CC[N+]6(C)C)OC)OC)OC)OC)OCO3)OC.[OH-]","SYBJIKDHEBYMRE-UHFFFAOYSA-M",462160,NA,"PDBC54268","269186","Present",NA,NA
+"54269","Thalphenine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thalphenine chloride",NA,"C[N+]1(CCC2=CC(=C3C4=C2C1CC5=CC6=C(C(=C54)CO3)OCO6)OC)C.[Cl-]","YTXCQFDRRJSMRN-UHFFFAOYSA-M",24197663,NA,"PDBC54269","269191","Present",NA,NA
+"54270","Thapsia villosa compd",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"THAPSIA VILLOSA COMPD",NA,"CCCCC(=O)OC1CC(C2C(C(C(=C2C3C1(C(C(=O)O3)(C)O)O)C)OC(=O)C(=CC)C)OC(=O)CCCC)(C)OC(=O)C","DNLPJYRRMWBREC-GZTJUZNOSA-N",5477211,NA,"PDBC54270","299934","Present",NA,NA
+"54271","Thapsuine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thapsuine A",NA,NA,NA,NA,NA,"PDBC54271","357826","Present",NA,NA
+"54272","Thaspine, acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thaspine, acetate",NA,"CC(=O)O.CN(C)CCC1=CC(=C2C3=C1C(=O)OC4=C(C=CC(=C34)C(=O)O2)OC)OC","HUNGYFRUEMVMMI-UHFFFAOYSA-N",253294,NA,"PDBC54272","76022","Present",NA,NA
+"54273","Theasapogenol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Theasapogenol A",NA,NA,NA,NA,NA,"PDBC54273","109440","Present",NA,NA
+"54274","Theophylline, 8,8'-tetramethylenebis(2-thio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8,8-Tetramethylenebis[2-thiotheophylline]",NA,"CN1C2=C(C(=O)N(C1=S)C)NC(=N2)CCCCC3=NC4=C(N3)C(=O)N(C(=S)N4C)C","NSONFMCGPFMALE-UHFFFAOYSA-N",201649,NA,"PDBC54274","95926","Present",NA,NA
+"54275","Theophylline, 8-(2-pyrrolidinoethyl)thio-6-thio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Theophylline, 8-[(2-pyrrolidinoethyl)thio]-6-thio-",NA,"CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCCN3CCCC3","KLAIFKHPSDRWRR-UHFFFAOYSA-N",3034554,NA,"PDBC54275","99657","Present",NA,NA
+"54276","Theophylline, 8-(3-pyridylmethyl)thio-6-thio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-thio-8-[(3'-pyridylmethyl)thio]theophylline",NA,"CN1C2=C(C(=S)N(C1=O)C)NC(=N2)SCC3=CN=CC=C3","QWBLDCDLJHPULD-UHFFFAOYSA-N",3034547,NA,"PDBC54276","97999","Present",NA,NA
+"54277","Theophylline, 8-(4-(2-benzimidazolyl)butyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-[4-(2-benzimidazolyl)butyl]theophylline",NA,"CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCCCC3=NC4=CC=CC=C4N3","VEFLECDGOCHYBW-UHFFFAOYSA-N",73250,NA,"PDBC54277","81509","Present",NA,NA
+"54278","Theprubicin-HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pirarubicin Hydrochloride",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)OC6CCCCO6","KMSKQZKKOZQFFG-MFVFBZRISA-N",6711233,NA,"PDBC54278","333054","Present",NA,NA
+"54279","Thevetiaflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Genistein-5-methyl ether",NA,"COC1=CC(=CC2=C1C(=O)C=C(O2)C3=CC=C(C=C3)O)O","YQABHAHJGSNVQR-UHFFFAOYSA-N",5315202,NA,"PDBC54279","719158","Present",NA,NA
+"54280","Thevetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thevetin",NA,NA,NA,NA,NA,"PDBC54280","123979","Present",NA,NA
+"54281","Thiactin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiactin",NA,"CCC(C)C1C(=O)NC(C(=O)NC(=C)C(=O)NC(C(=O)NC23CCC(=NC2C4=CSC(=N4)C(C(OC(=O)C5=NC6=C(C=CC(C6O)N1)C(=C5)C(C)O)C)NC(=O)C7=CSC(=N7)C(NC(=O)C8CSC(=N8)C(=CC)NC(=O)C(NC(=O)C9=CSC3=N9)C(C)O)C(C)(C(C)O)O)C1=NC(=CS1)C(=O)NC(=C)C(=O)NC(=C)C(=O)N)C)C","NSFFHOGKXHRQEW-BXVAPQLOSA-N",16220061,NA,"PDBC54281","170365","Present",NA,NA
+"54282","Thiaellipticine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiallipticine",NA,"CC1=C2C=CN=CC2=C(C3=C1SC4=CC=CC=C43)C","YGFBWKZEDJNZDB-UHFFFAOYSA-N",273956,NA,"PDBC54282","119686","Present",NA,NA
+"54283","Thiamiprine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"guaneran",NA,"CN1C=NC(=C1SC2=NC(=NC3=C2NC=N3)N)[N+](=O)[O-]","YFTWHEBLORWGNI-UHFFFAOYSA-N",3379405,NA,"PDBC54283","38887","Present",NA,NA
+"54284","Thiasine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiasine",NA,"C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)O","SSISHJJTAXXQAX-UHFFFAOYSA-O",3032312,NA,"PDBC54284","7175","Present",NA,NA
+"54285","Thiazolium-trans-[tetrachlorobisthiazoleruthenate(III)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolium-trans-[tetrachlorobisthiazoleruthenate(III)]",NA,NA,NA,NA,NA,"PDBC54285","630137","Present",NA,NA
+"54286","Thiazolo[2, 2,3-dihydro-2-[(2-methoxyphenyl)methylene]-5-(3-nitrophenyl)-3-oxo-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolo[2,3-b]thiazolium, 2,3-dihydro- 2-[(2-methoxyphe...",NA,"COC1=CC=CC=C1C=C2C(=O)[N+]3=C(S2)SC=C3C4=CC(=CC=C4)[N+](=O)[O-].[Cl-]","NCROJGCFUQYABM-HVHKRRFMSA-M",6517799,NA,"PDBC54286","657446","Present",NA,NA
+"54287","Thiazolo[2, 2-[(1,3-benzodioxol-5-yl)methylene]-2,3-dihydro-5-(3,4-dihydroxyphenyl)-3-oxo-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolo[2,3-b]thiazolium, 2-[(1,3-benzodioxol-5-yl)meth...",NA,"C1OC2=C(O1)C=C(C=C2)C=C3C(=O)[N+]4=C(S3)SC=C4C5=CC(=C(C=C5)O)O.[Cl-]","VYCDDKYBPMOXTL-MHUGMFFYSA-N",54612570,NA,"PDBC54287","657719","Present",NA,NA
+"54288","Thiazolo[2, 2-[(2,4-dichlorophenyl)methylene]-2,3-dihydro-5-(3-nitrophenyl)-3-oxo-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolo[2,3-b]thiazolium, 2-[(2,4-dichlorophenyl)methyl...",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)C(=CC4=C(C=C(C=C4)Cl)Cl)S3.[Cl-]","DCUPLJVRBSCPTQ-OYXUYBEVSA-M",54608200,NA,"PDBC54288","657445","Present",NA,NA
+"54289","Thiazolo[2, 2-[(2-chlorophenyl)methylene]-6-[(ethoxy)carbonyl]-2,3-dihydro-5-methyl-3-oxo-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolo[2,3-b]thiazolium, 2-[(2-chlorophenyl)methylene]...",NA,"CCOC(=O)C1=C([N+]2=C(S1)SC(=CC3=CC=CC=C3Cl)C2=O)C.[Cl-]","LOURJNGCVOIUMH-JCTPKUEWSA-M",20832489,NA,"PDBC54289","658291","Present",NA,NA
+"54290","Thiazolo[2, 2-[(4-chlorophenyl)methylene]-2,3-dihydro-5-(3-nitrophenyl)-3-oxo-, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolo[2,3-b]thiazolium, 2-[(4-chlorophenyl)methylene]...",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC3=[N+]2C(=O)C(=CC4=CC=C(C=C4)Cl)S3.[Cl-]","MNSCCYQVETZSSK-SQIOZQJDSA-M",5467668,NA,"PDBC54290","657720","Present",NA,NA
+"54291","Thiazolo[3, 2-methyl-perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolo[3,2-f]phenanthridinium, 2-methyl- perchlorate",NA,"CC1=C[N+]2=C(S1)C3=CC=CC=C3C4=CC=CC=C42.[O-]Cl(=O)(=O)=O","NFPBZGXLIAKHKP-UHFFFAOYSA-M",21144387,NA,"PDBC54291","98883","Present",NA,NA
+"54292","Thiazolo[3,2-f]phenanthridinium, 3-phenyl- perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolo[3,2-f]phenanthridinium, 3-phenyl- perchlorate",NA,"C1=CC=C(C=C1)C2=CSC3=[N+]2C4=CC=CC=C4C5=CC=CC=C53.[O-]Cl(=O)(=O)=O","JTLZGZZGOYPSLD-UHFFFAOYSA-M",5351215,NA,"PDBC54292","98904","Present",NA,NA
+"54293","Thiazolo[5,4-d]pyrimidin-7-amine, N-(4-methylphenyl)-2-[(phenylmethyl)thio]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiazolo[5,4-d]pyrimidin-7-amine, N-(4-methylphenyl)-2-[(phenylmethyl)thio]-",NA,"CC1=CC=C(C=C1)NC2=C3C(=NC=N2)SC(=N3)SCC4=CC=CC=C4","TZAMHARWIDRMJE-UHFFFAOYSA-N",380057,NA,"PDBC54293","665355","Present",NA,NA
+"54294","Thiazolobenzimidazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"THIAZOLOBENZIMIDAZOLE",NA,"C1C2=NC3=CC=CC=C3N2C(S1)C4=C(C=CC=C4F)F","AMLBAOPYPUXEQF-UHFFFAOYSA-N",122665,NA,"PDBC54294","625487","Present",NA,NA
+"54295","Thieno[2,10-dihydrophenanthrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thieno[2,3-c]-2-acetyl-9,10-dihydrophenanthrene",NA,"CC(=O)C1=C2C(=C3C(=C1)CCC4=CC=CC=C43)C=CS2","PJGSBKJPAKPKFW-UHFFFAOYSA-N",24205461,NA,"PDBC54295","735819","Present",NA,NA
+"54296","Thieno[2,10-dihydrophenanthrene-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thieno[2,3-c]-9,10-dihydrophenanthrene-2-carboxylic acid",NA,"C1CC2=CC(=C3C(=C2C4=CC=CC=C41)C=CS3)C(=O)O","KLWFMUMYQSQUBT-UHFFFAOYSA-N",24205462,NA,"PDBC54296","735820","Present",NA,NA
+"54297","Thieno[2,3-f][1,2,3,4,5]pentathiepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4,5,6,7,8-Hexathiaazulene",NA,"C1=CSC2=C1SSSSS2","HRHNOZVOGOMOPP-UHFFFAOYSA-N",406616,NA,"PDBC54297","724856","Present",NA,NA
+"54298","Thieno[3'',2'':4',5'][1]benzothieno[3',2':4,5][1]benzothieno[3,2-f]quinolin-2-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7,12,17-Trithia-22-azaheptacyclo[14.11.0.02,13.03,11.04,8.018,27.021,26]heptacosa-1(16),2(13),3(11),4(8),5,9,14,18(27),19,21(26),22,24-dodecaen-6-ylmethanol",NA,"C1=CC2=C(C=CC3=C2C4=C(S3)C=CC5=C4C6=C(S5)C=CC7=C6C=C(S7)CO)N=C1","CDEAELMVURMHJA-UHFFFAOYSA-N",393577,NA,"PDBC54298","695647","Present",NA,NA
+"54299","Thieno[3,2-b]thiophene-2,5-dicarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"FCH848361",NA,"C1=C(SC2=C1SC(=C2)C=O)C=O","UBKNFAFBINVTOP-UHFFFAOYSA-N",361865,NA,"PDBC54299","625186","Present",NA,NA
+"54300","Thieno[3,2-b]thiophene-2,5-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thieno[3,2-b]thiophene-2,5-dicarboxylic acid",NA,"C1=C(SC2=C1SC(=C2)C(=O)O)C(=O)O","JMURVZFFOUWCNW-UHFFFAOYSA-N",361864,NA,"PDBC54300","625185","Present",NA,NA
+"54301","Thieno[3,2-d][1,2,3]thiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thieno[3,2-d][1,2,3]thiadiazole",NA,"C1=CSC2=C1N=NS2","GAKOFAMADRYELG-UHFFFAOYSA-N",373755,NA,"PDBC54301","650709","Present",NA,NA
+"54302","Thieno[3,4-d][1,3]dithiole-2-thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thieno[3,4-d][1,3]dithiole-2-thione",NA,"C1=C2C(=CS1)SC(=S)S2","GJEBXSONPVIOSK-UHFFFAOYSA-N",371577,NA,"PDBC54302","645924","Present",NA,NA
+"54303","Thienopyrimid 3BzOMe Nucl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thienopyrimid 3BzOMe Nucl",NA,"C1=CC=C(C=C1)COCN2C(=O)C3=C(C=CS3)NC2=O","UDLIXGWMJJUFQK-UHFFFAOYSA-N",385448,NA,"PDBC54303","676686","Present",NA,NA
+"54304","Thienopyrimid OHEtOMe Nucl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thienopyrimid OHEtOMe Nucl",NA,"C1=CSC2=C1N(C(=O)NC2=O)COCCO","KQJFJTDJNGEQPT-UHFFFAOYSA-N",385447,NA,"PDBC54304","676685","Present",NA,NA
+"54305","Thiethylperazine dimaleate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiethylperazine Maleate",NA,"CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C.C(=CC(=O)O)C(=O)O","FBZFLZSBKWFFRD-BTJKTKAUSA-N",13234209,NA,"PDBC54305","130044","Present",NA,NA
+"54306","Thiochroman-4-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiochroman-4-ol",NA,"C1CSC2=CC=CC=C2C1O","FWVSZXYNCFXKRT-UHFFFAOYSA-N",375102,NA,"PDBC54306","654114","Present",NA,NA
+"54307","Thiochromeno[2,3,4-ij]-2,7-naphthyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-Thia-10,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene",NA,"C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)S2","OLOXICWTKUHWIW-UHFFFAOYSA-N",391091,NA,"PDBC54307","689626","Present",NA,NA
+"54308","Thiochromeno[2,3,4-ij]-2,7-naphthyridine 7,7-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiochromeno[2,3,4-ij]-2,7-naphthyridine 7,7-dioxide",NA,"C1=CC=C2C(=C1)C3=NC=CC4=C3C(=NC=C4)S2(=O)=O","UJCKXVXWGBPLNL-UHFFFAOYSA-N",391092,NA,"PDBC54308","689627","Present",NA,NA
+"54309","Thiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC186301",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","CMEGANPVAXDBPL-INIZCTEOSA-N",17648,NA,"PDBC54309","186301","Present",NA,NA
+"54310","Thiocolchicine, 2,3-diacetyl-2,3-didemethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[2,3-bis(acetyloxy)-5,6,7,9-tetrahydro-1-me...",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC(=O)C)OC(=O)C","AXTUXMYJCHPLDP-UHFFFAOYSA-N",435732,NA,"PDBC54310","374980","Present",NA,NA
+"54311","Thioctic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"biletan",NA,"C1CSSC1CCCCC(=O)O","AGBQKNBQESQNJD-UHFFFAOYSA-N",864,NA,"PDBC54311","90788","Present",NA,NA
+"54312","Thiocyanic acid, 1H-purin-6-yl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiocyanic acid, 1H-purin-6-yl ester (9CI)",NA,"C1=NC2=C(N1)C(=NC=N2)SC#N","GBTKKUANKIRQOM-UHFFFAOYSA-N",96185,NA,"PDBC54312","58385","Present",NA,NA
+"54313","Thiocyanic acid, 5-hydroxycarvacryl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC4698",NA,"CC1=CC(=C(C=C1SC#N)C(C)C)O","JCBPZRGUDJXNCD-UHFFFAOYSA-N",94837,NA,"PDBC54313","4698","Present",NA,NA
+"54314","Thiodiglycolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tdga",NA,"C(C(=O)O)SCC(=O)O","UVZICZIVKIMRNE-UHFFFAOYSA-N",31277,NA,"PDBC54314","28743","Present",NA,NA
+"54315","Thiofentanyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiofentanyl",NA,"CCC(=O)N(C1CCN(CC1)CCC2=CC=CS2)C3=CC=CC=C3","YMRFZDHYDKZXPA-UHFFFAOYSA-N",62380,NA,"PDBC54315","665714","Present",NA,NA
+"54316","Thioflavin T",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thioflavine",NA,"CC1=CC2=C(C=C1)[N+](=C(S2)C3=CC=C(C=C3)N(C)C)C.[Cl-]","JADVWWSKYZXRGX-UHFFFAOYSA-M",16953,NA,"PDBC54316","11235","Present",NA,NA
+"54317","Thioflavine S",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioflavine S",NA,"CC1=C(C2=C(C=C1)[N+](=C(S2)C3=CC4=C(C=C3)[N+](=C(S4)C5=CC=C(C=C5)N(C)C)C)C)S(=O)(=O)O.CC1=C(C2=C(C=C1)[N+](=C(S2)C3=CC4=C(C=C3)[N+](=C(S4)C5=CC6=C(C=C5)[N+](=C(S6)C7=CC=C(C=C7)N(C)C)C)C)C)S(=O)(=O)O","OGBHHNJDJPQBLS-UHFFFAOYSA-P",415676,NA,"PDBC54317","71948","Present",NA,NA
+"54318","Thioglycolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiovanic acid",NA,"C(C(=O)O)S","CWERGRDVMFNCDR-UHFFFAOYSA-N",1133,NA,"PDBC54318","1894","Present",NA,NA
+"54319","Thiolutin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiolutin",NA,"CC(=O)NC1=C2C(=CSS2)N(C1=O)C","MHMRAFONCSQAIA-UHFFFAOYSA-N",6870,NA,"PDBC54319","3927","Present",NA,NA
+"54320","Thiomethylpromazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiomethylpromazine",NA,"CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)SC","VAKQWULGGDTKGR-UHFFFAOYSA-N",70583,NA,"PDBC54320","186063","Present",NA,NA
+"54321","Thiomyristoyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC773409",NA,"CCCCCCCCCCCCCC(=S)NCCCCC(C(=O)NC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","CJQGLLUJIVNREL-HKBQPEDESA-N",126843233,NA,"PDBC54321","773409","Present",NA,NA
+"54322","Thionaphthene, 2-[1-acetamino-1-cycloheptyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thionaphthene, 2-[1-acetamino-1-cycloheptyl]-",NA,"CC(=O)NC1(CCCCCC1)C2=CC3=CC=CC=C3S2","DXGUJRCGDBRHOQ-UHFFFAOYSA-N",398366,NA,"PDBC54322","708083","Present",NA,NA
+"54323","Thionine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thionin",NA,"C1=CC2=C(C=C1N)SC3=CC(=[NH2+])C=CC3=N2.[Cl-]","PVPBBTJXIKFICP-UHFFFAOYSA-N",65043,NA,"PDBC54323","9591","Present",NA,NA
+"54324","Thiophene, 2-[[5-(3-chlorophenyl)[2,2'-bithiophen]-4-yl]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chlorophenyl)-5-(2-thienyl)-3-(2-thienylmethyl)thiophene",NA,"C1=CC(=CC(=C1)Cl)C2=C(C=C(S2)C3=CC=CS3)CC4=CC=CS4","AMZUIAKUGFDSLB-UHFFFAOYSA-N",377739,NA,"PDBC54324","659331","Present",NA,NA
+"54325","Thiophene, 2-phenyl-5-(1-propynyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiophenacetylene",NA,"CC#CC1=CC=C(S1)C2=CC=CC=C2","IIXLKPCNWKUVMO-UHFFFAOYSA-N",164797,NA,"PDBC54325","607169","Present",NA,NA
+"54326","Thiophene, 3-([2,2':5',3''-terthiophen]-3'-ylmethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-Thienyl)-5-(3-thienyl)-3-(3-thienylmethyl)thiophene",NA,"C1=CSC(=C1)C2=C(C=C(S2)C3=CSC=C3)CC4=CSC=C4","XSPCNJAYSZCHRV-UHFFFAOYSA-N",378458,NA,"PDBC54326","661059","Present",NA,NA
+"54327","Thiophene, 3-[[5-(3-chlorophenyl)[2,3'-bithiophen]-4-yl]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Chlorophenyl)-5-(3-thienyl)-3-(3-thienylmethyl)thiophene",NA,"C1=CC(=CC(=C1)Cl)C2=C(C=C(S2)C3=CSC=C3)CC4=CSC=C4","VMQJSUSFENIZEP-UHFFFAOYSA-N",378460,NA,"PDBC54327","661061","Present",NA,NA
+"54328","Thiophene, 3-[[5-(4-fluorophenyl)[2,3'-bithiophen]-4-yl]methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(4-Fluorophenyl)-5-(3-thienyl)-3-(3-thienylmethyl)thiophene",NA,"C1=CC(=CC=C1C2=C(C=C(S2)C3=CSC=C3)CC4=CSC=C4)F","SSSJMUFVTMLUET-UHFFFAOYSA-N",378459,NA,"PDBC54328","661060","Present",NA,NA
+"54329","Thiopyrano(3,2-c)pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1-(methylcarbonyl)-2-phenyl-, 4-oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiopyrano[3,2-c]pyrazol-3(2H)-one, 1,5,6,7-tetrahydro-1...",NA,"CC(=O)N1C2=C(C(=O)N1C3=CC=CC=C3)S(=O)CCC2","WYIJYQGXZWLTPH-UHFFFAOYSA-N",371127,NA,"PDBC54329","645087","Present",NA,NA
+"54330","Thiopyrimidine derivatives",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"THIOPYRIMIDINE DERIVATIVES",NA,"COC1=C(C=C(C=C1)C2C3=C(C4=C(C=CC(=C4)F)OC3)NC(=S)N2)OC","YAZXPEVCEUFAOE-UHFFFAOYSA-N",11710486,NA,"PDBC54330","731530","Present",NA,NA
+"54331","Thiopyrimidine-CH3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiopyrimidine-CH3",NA,"CC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)NC(=S)N2","GSZFQZXSAOKCKF-UHFFFAOYSA-N",5473238,NA,"PDBC54331","724615","Present",NA,NA
+"54332","Thiopyrimidine-Cl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiopyrimidine-Cl",NA,"C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(NC(=S)N4)C5=CC=C(C=C5)Cl","KMBDYTZDSAVFMG-UHFFFAOYSA-N",5473173,NA,"PDBC54332","724333","Present",NA,NA
+"54333","Thiopyrimidine-F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiopyrimidine-F",NA,"C1COC2=C(C=CC3=CC=CC=C32)C4=C1C(NC(=S)N4)C5=CC=C(C=C5)F","SKCXHVCDOIFYSQ-UHFFFAOYSA-N",5473171,NA,"PDBC54333","724331","Present",NA,NA
+"54334","Thiopyrimidine-OCH3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiopyrimidine-OCH3",NA,"COC1=CC=C(C=C1)C2C3=C(C4=C(C5=CC=CC=C5C=C4)OCC3)NC(=S)N2","ORSDAEKWFCLRBK-UHFFFAOYSA-N",5473172,NA,"PDBC54334","724332","Present",NA,NA
+"54335","Thioridazine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC186060///NSC757349",NA,"CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)SC.Cl","NZFNXWQNBYZDAQ-UHFFFAOYSA-N",66062,NA,"PDBC54335","186060///757349","Present",NA,NA
+"54336","Thiosangivamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiosangivamycin",NA,"C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C(=S)N","XZOKDXWQSCIKCM-UHFFFAOYSA-N",3580213,NA,"PDBC54336","105827","Present",NA,NA
+"54337","Thiosemicarbazone H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC318807",NA,"CC(=NNC(=S)N1CCCCCC1)C2=CC=CC=N2","LYIUREYWAKPINL-FOWTUZBSSA-N",5494319,NA,"PDBC54337","318807","Present",NA,NA
+"54338","Thiotaurine S-(2-aminoethyl) ester, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC528168",NA,"C(CSS(=O)(=O)CCN)N.Cl","UHSQGLSSKHZQSU-UHFFFAOYSA-N",3084052,NA,"PDBC54338","528168","Present",NA,NA
+"54339","Thiourea, [4-(2-furanylmethyl)-5-thioxo-1,2,4-dithiazolidin-3-ylidene]dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiourea, [4-(2-furanylmethyl)-5-thioxo-1,2,4-dithiazoli...",NA,"CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC=CO2","FWHDXWLCPICIAQ-LUAWRHEFSA-N",5836849,NA,"PDBC54339","622691","Present",NA,NA
+"54340","Thiourea,4,5-trimethoxyphenyl)methyl]-5-thioxo-1,2,4-dithiazol-2-ylidene]-N',N'-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiourea, N-[4-[(3,4,5-trimethoxyphenyl)methyl]-5-thioxo...",NA,"CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC(=C(C(=C2)OC)OC)OC","MWJKBPKYUGROES-PEZBUJJGSA-N",5914108,NA,"PDBC54340","645621","Present",NA,NA
+"54341","Thiourea,N-dimethyl-N'-[4-[(2-thienyl)methyl]-3-thioxo-1,2,4-dithiazolidin-5-ylidene]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thiourea, N,N-dimethyl-N'-[4-[(2-thienyl)methyl]- 3-thio...",NA,"CN(C)C(=S)N=C1N(C(=S)SS1)CC2=CC=CS2","OPALQZRLQUAKIG-LUAWRHEFSA-N",5911714,NA,"PDBC54341","645618","Present",NA,NA
+"54342","Thioxanthen-9-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658181",NA,"C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2","YRHRIQCWCFGUEQ-UHFFFAOYSA-N",10295,NA,"PDBC54342","658181","Present",NA,NA
+"54343","Thioxanthen-9-one 10,10-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658182",NA,"C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2(=O)=O","DRIRMYPZOAOUPR-UHFFFAOYSA-N",220255,NA,"PDBC54343","658182","Present",NA,NA
+"54344","Thioxanthen-9-one, 1-((2-(ethyl(2-hydroxyethyl)amino)ethyl)amino)-4-methyl-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioxanthen-9-one, 1-[[2-[ethyl(2-hydroxyethyl)amino]eth...",NA,"CCN(CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O)CCO.Cl","VKQTYHPWQVLGSK-UHFFFAOYSA-N",3063063,NA,"PDBC54344","20534","Present",NA,NA
+"54345","Thioxanthen-9-one,3-dihydroxypropyl)amino]ethyl]amino]-4-methyl-,hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thioxanthen-9-one, 1-[[2-[(2,3-dihydroxypropyl)amino]eth...",NA,"CC1=C2C(=C(C=C1)NCCNCC(CO)O)C(=O)C3=CC=CC=C3S2.Cl","XKKCEESDXKXKKW-UHFFFAOYSA-N",54601814,NA,"PDBC54345","20530","Present",NA,NA
+"54346","Thioxanthene, 2-methoxy-9-(3-(dimethylamino)propylidene)-, hydrochloride, (E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Propanamine, 3-(2-methoxy-9H-thioxanthen-9-ylidene)-N,...",NA,"CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)OC.Cl","GCUAMEPHMLSQKS-TWNLEINFSA-N",6446686,NA,"PDBC54346","64085","Present",NA,NA
+"54347","Threomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"furanomycin",NA,"CC1C=CC(O1)C(C(=O)O)N","PNOKUGWGMLEAPE-UHFFFAOYSA-N",272104,NA,"PDBC54347","116328","Present",NA,NA
+"54348","Threoninamide, N-[(9H-fluoren-9-ylmethoxy)carbonyl]phenylalanyl-S-(acetylmethylamino)cysteinylphenylalanyl-1-formyltryptophyl-N~6~-[(9H-fluoren-9-ylmethoxy)carbonyl]lysylthreonyl-S-(acetylmethylamino)cysteinyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Fluoren-9-ylmethyl N-[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[[1-[[1-[[1-[[1-[[3-[acetyl(methyl)amino]sulfanyl-1-[(1-amino-3-hydroxy-1-oxobutan-2-yl)amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobut",NA,"CC(C(C(=O)N)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(C(C)O)NC(=O)C(CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)C(CC4=CN(C5=CC=CC=C54)C=O)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CSN(C)C(=O)C)NC(=O)C(CC7=CC=CC=C7)NC(=O)OCC8C9=CC=CC=C9C1=CC=CC=C81)O","VGJPDYIHLLBOFP-UHFFFAOYSA-N",16129802,NA,"PDBC54348","672460","Present",NA,NA
+"54349","Thujaplicin mixture",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thujaplicin mixture",NA,"CC(C)C1=CC=C(C(=O)C=C1)O.CC(C)C1=CC(=O)C(=CC=C1)O.CC(C)C1=CC(=O)C(=C(C=C1)O)O.CC(C)C1=C(C(=O)C=CC=C1)O","SCKSOYQGQHMOHA-UHFFFAOYSA-N",252101,NA,"PDBC54349","73300","Present",NA,NA
+"54350","Thunberginol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-dihydroxyphenyl)-8-hydroxyisocoumarin (Thunbergin...",NA,"C1=CC2=C(C(=C1)O)C(=O)OC(=C2)C3=CC(=C(C=C3)O)O","WHZXJVJVGGWZQI-UHFFFAOYSA-N",5321948,NA,"PDBC54350","724383","Present",NA,NA
+"54351","Thunberginol B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3,4-dihydroxyphenyl)-6,8-dihydroxyisocoumarin (Thunbe...",NA,"C1=CC(=C(C=C1C2=CC3=CC(=CC(=C3C(=O)O2)O)O)O)O","NHFGEHLUROYMEB-UHFFFAOYSA-N",5473310,NA,"PDBC54351","725013","Present",NA,NA
+"54352","Thuriferic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thuriferic acid",NA,"COC1=CC(=CC(=C1OC)OC)C2C(C(=C)C(=O)C3=CC4=C(C=C23)OCO4)C(=O)O","HLSXUNBUCPHTDA-MRTLOADZSA-N",362872,NA,"PDBC54352","627278","Present",NA,NA
+"54353","Thwaitesixanthone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thwaitesixanthone",NA,"CC1(C=CC2=C(O1)C=CC3=C2C(=O)C4=C(C5=C(C=C4O3)OC(C=C5)(C)C)O)C","CGUOCNBOCVGVNB-UHFFFAOYSA-N",392169,NA,"PDBC54353","692216","Present",NA,NA
+"54354","Thymidine, 3'-azido-3'-deoxy-5'-oxo-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thymidine, 3'-azido-3'-deoxy-5'-oxo-",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)C(=O)O)N=[N+]=[N-]","YPULTFJGCRVCPG-UHFFFAOYSA-N",377346,NA,"PDBC54354","658787","Present",NA,NA
+"54355","Thymidine, 5'-((bromoacetyl)amino)-5'-deoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thymidine, 5'-[(bromoacetyl)amino]-5'-deoxy-",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CNC(=O)CBr)O","ADGOHIZJIRUSTK-UHFFFAOYSA-N",100092,NA,"PDBC54355","334043","Present",NA,NA
+"54356","Thymidine,3'-deoxy-3'-(methylamino)-(9CI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[5-(Hydroxymethyl)-4-(methylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)NC","LDZKBUFNIZADPS-UHFFFAOYSA-N",372767,NA,"PDBC54356","648387","Present",NA,NA
+"54357","Thymine, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thymine, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)NC1=O)C","RBIZUPIXEMIJIL-TWGQIWQCSA-N",6374527,NA,"PDBC54357","678991","Present",NA,NA
+"54358","Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-[3-[[4-(acetyloxy)butyl]-3H-1,2,3-triazol-4-yl]methyl]-, (E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenedioic acid, (E)-, 2-[3-[[[4-(acetyloxy)butyl]- 3...",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN=NN2CCCCOC(=O)C)C","SYYDYBJDOSRRFB-WOJGMQOQSA-N",5469903,NA,"PDBC54358","694002","Present",NA,NA
+"54359","Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-[[4-[(acetyloxy)butyl]-1H-1,2,3-triazol-4-yl]methyl]-, (E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenedioic acid, (E)-, 2-[3-[[[4-(acetyloxy)butyl]- 1...",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC2=CN(N=N2)CCCCOC(=O)C)C","HSFWRICAOGAAGF-WOJGMQOQSA-N",5469902,NA,"PDBC54359","694001","Present",NA,NA
+"54360","Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenedioic acid, (E)-, 2-(1,2,3,4-tetrahydro-5-methyl...",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)C","DFSVUYODOIWHBI-FMIVXFBMSA-N",5469887,NA,"PDBC54360","693986","Present",NA,NA
+"54361","Thymine,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenedioic acid, (Z)-, 2-(1,2,3,4-tetrahydro-5-methyl...",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)CC#C)C","DFSVUYODOIWHBI-XFXZXTDPSA-N",5469886,NA,"PDBC54361","693985","Present",NA,NA
+"54362","Thymine,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Thymine, 1,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=C(C(=O)N(C1=O)C(=CC(=O)OCC)C(=O)OCC)C","RZNBOHOZOJPOSW-YCRUPXPOSA-N",6382533,NA,"PDBC54362","679006","Present",NA,NA
+"54363","Thymolphthalein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thymophthalein",NA,"CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O","LDKDGDIWEUUXSH-UHFFFAOYSA-N",31316,NA,"PDBC54363","2186","Present",NA,NA
+"54364","TimTec1_000115",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_000115",NA,"C1=CC(=CC(=C1)Br)C2=NNC(=O)N2","MOWCNQAKRIHBCM-UHFFFAOYSA-N",135485485,NA,"PDBC54364","678393","Present",NA,NA
+"54365","TimTec1_000140",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_000140",NA,"CC1=C(C=C2C(=N1)N(C(=O)N(C2=O)C)C)C(=O)NN","VAABODLCKXMSIG-UHFFFAOYSA-N",388588,NA,"PDBC54365","683598","Present",NA,NA
+"54366","TimTec1_000652",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_000652",NA,"CC(C)C(=O)OCC1CCCN2C1CCCC2","OKDZSBOUVNBQMR-UHFFFAOYSA-N",3695649,NA,"PDBC54366","685525","Present",NA,NA
+"54367","TimTec1_001050",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_001050",NA,"CN(C)C1=CC=C(C=C1)C=NCC2CCCN3C2CCCC3","ZUNFVGFZOHJFDE-UHFFFAOYSA-N",394202,NA,"PDBC54367","697484","Present",NA,NA
+"54368","TimTec1_001777",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_001777",NA,"COC1=CC=C(C=C1)C2=C(C(=S)NC(=C2)C3=CC=CC=C3)C#N","AETDFPIPBBHCQI-UHFFFAOYSA-N",716393,NA,"PDBC54368","671804","Present",NA,NA
+"54369","TimTec1_002753",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_002753",NA,"CC1=CC=C(C=C1)C(=O)CC2=NC3=C(C=CC=N3)NC2=O","ZBRBYUQKORENAD-UHFFFAOYSA-N",404248,NA,"PDBC54369","720426","Present",NA,NA
+"54370","TimTec1_004922",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_004922",NA,"C1CN2CC3CN1CC(C2)(C3O)C4=CC=CC=C4","MNRUFFKCDYALGA-UHFFFAOYSA-N",386841,NA,"PDBC54370","679574","Present",NA,NA
+"54371","TimTec1_005369",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_005369",NA,"CC1=CC(=O)OC2=C1C=CC(=C2CNC(CC(C)C)C(=O)O)O","YPJLUCAXHFPZJD-UHFFFAOYSA-N",5466054,NA,"PDBC54371","673332","Present",NA,NA
+"54372","TimTec1_005439",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_005439",NA,"COC1=CC=C(C=C1)C2=CN3C4=C(C=C(C=C4)C(=O)OC)SC3=N2","XIMWCBONNCSEFD-UHFFFAOYSA-N",403000,NA,"PDBC54372","717473","Present",NA,NA
+"54373","TimTec1_005567",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_005567",NA,"C1=CC=C2C(=C1)C=CC=C2N3C(=C(C(=O)NC3=S)C=C4C=NC5=CC=CC=C54)O","OVKKVIKFSCADIV-NTCAYCPXSA-N",135426769,NA,"PDBC54373","717458","Present",NA,NA
+"54374","TimTec1_005575",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_005575",NA,"CC1=C(C2=CC=CC=C2N1)C=NC3=CC=C(C=C3)N=CC4=C(NC5=CC=CC=C54)C","NZPYYLPFEUETNP-UHFFFAOYSA-N",403052,NA,"PDBC54374","717524","Present",NA,NA
+"54375","TimTec1_008199",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TimTec1_008199",NA,"CCOC(=O)COC1=CC2=C(C=C1)C(=CC(=O)O2)C","FPDRQKTUWRSVPL-UHFFFAOYSA-N",247322,NA,"PDBC54375","61738","Present",NA,NA
+"54376","Timosaponin A-III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Timosaponin A-III",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)O)O)OC8C(C(C(C(O8)CO)O)O)O)C)C)C)OC1","MMTWXUQMLQGAPC-ULBLIBDQSA-N",6712429,NA,"PDBC54376","684425","Present",NA,NA
+"54377","Tin (IV) Etiopurpurin dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tin (IV) Etiopurpurin dichloride",NA,NA,NA,NA,NA,"PDBC54377","619679","Present",NA,NA
+"54378","Tin monocatecholate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tin monocatecholate",NA,"C1=CC=C2C(=C1)O[Sn]O2","RQDBBXNPOUXZQZ-UHFFFAOYSA-L",16685274,NA,"PDBC54378","634374","Present",NA,NA
+"54379","Tin, (2,2'-bipyridine-N,N')butyldichlorophenyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tin, (2,2'-bipyridine-N,N')butyldichlorophenyl-",NA,NA,NA,NA,NA,"PDBC54379","333598","Present",NA,NA
+"54380","Tin, (2,2'-bipyridine-N,N')dichlorodimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tin, (2,2'-bipyridine-N,N')dichlorodimethyl-",NA,NA,NA,NA,NA,"PDBC54380","258613","Present",NA,NA
+"54381","Tin, bis(triphenyl- ) ethylenebis(dithiocarbamate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tin, bis(triphenyl- ) ethylenebis(dithiocarbamate)",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)SC(=S)NCCNC(=S)S[Sn](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6","DOICFEXUJKISKP-UHFFFAOYSA-L",3000604,NA,"PDBC54381","76557","Present",NA,NA
+"54382","Tin, dibutyl[N-[(carboxy-kappaO)methyl]-N-[2-(hydroxy-kappaO)ethyl]glycinato(2-)-kappaN,kappaO]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tin, dibutyl[N-[(carboxy-kappaO)methyl]-N-[2-(hydroxy-kappaO)ethyl]glycinato(2-)-kappaN,kappaO]-",NA,NA,NA,NA,NA,"PDBC54382","628566","Present",NA,NA
+"54383","Tin, dichloro[1,10-phenanthroline-N(1),N(10)] bis[4-(tri...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tin, dichloro[1,10-phenanthroline-N(1),N(10)] bis[4-(tri...",NA,NA,NA,NA,NA,"PDBC54383","608463","Present",NA,NA
+"54384","Tin, dichlorodiethyl(1,10-phenanthroline-N(1),N(10))-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tin, dichlorodiethyl(1,10-phenanthroline-N(1),N(10))-",NA,NA,NA,NA,NA,"PDBC54384","292408","Present",NA,NA
+"54385","Tin,4-butanediylbis[diphenylphosphine oxide]-O,O']dichlorodiphenyl-, (OC-6-13)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tin, [1,4-butanediylbis[diphenylphosphine oxide]-O,O']di...",NA,"C1=CC=C(C=C1)P(=O)(CCCCP(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(Cl)Cl","GQAUJMZTFWEBSI-UHFFFAOYSA-L",434521,NA,"PDBC54385","351594","Present",NA,NA
+"54386","Tindal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tindal",NA,"CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO.C(=CC(=O)O)C(=O)O","JVMBOHDUHCHGOE-BTJKTKAUSA-N",49800051,NA,"PDBC54386","169180","Present",NA,NA
+"54387","Tioconazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tioconazole",NA,"C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl","QXHHHPZILQDDPS-UHFFFAOYSA-N",5482,NA,"PDBC54387","759169","Present",NA,NA
+"54388","Tirabrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tirabrutinib",NA,"CC#CC(=O)N1CCC(C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N","SEJLPXCPMNSRAM-GOSISDBHSA-N",54755438,NA,"PDBC54388","797933","Present",NA,NA
+"54389","Tirandamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tirandamycin",NA,"CC1C2C(=O)C3C(O3)(C(O2)(OC1C(C)C=C(C)C=CC(=C4C(=O)CNC4=O)O)C)C","URGUBECARCAPRI-UYWODMNRSA-N",54717225,NA,"PDBC54389","107067","Present",NA,NA
+"54390","Tizoxanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tizoxanide",NA,"C1=CC=C(C(=C1)C(=O)NC2=NC=C(S2)[N+](=O)[O-])O","FDTZUTSGGSRHQF-UHFFFAOYSA-N",394397,NA,"PDBC54390","697856","Present",NA,NA
+"54391","Tobagolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tobagolide",NA,"CC(=C)C1CC2=C(C=C(O2)C(C3C(C(=CC1O)C(=O)O3)N(C)C)C(=C)C)C(=O)OC","DOCIQYRCMKIGGP-NKMQAVSXSA-N",5470071,NA,"PDBC54391","697273","Present",NA,NA
+"54392","Tocosimplex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC143087///NSC26253",NA,"C1CCN2CC3CC(C2C1)CN4C3CCCC4.OS(=O)(=O)O","FCEHFCFHANDXMB-UHFFFAOYSA-N",230880,NA,"PDBC54392","143087///26253","Present",NA,NA
+"54393","Tofacitinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tofacitinib (CP-690550)",NA,NA,"tofacitinib",NA,NA,NA,9926791,NA,"PDBC54393","782351","Present",NA,NA
+"54394","Tolonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"klot///Tolonium chloride///NSC760421",NA,"CC1=CC2=C(C=C1N)SC3=CC(=[N+](C)C)C=CC3=N2.[Cl-]","GEDVVYWLPUPJJZ-UHFFFAOYSA-N",7083,NA,"PDBC54394","11225///36758///760421","Present",NA,NA
+"54395","Toluacrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Toluacrone",NA,"CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O","HJGAIMRDMOLJIF-UHFFFAOYSA-N",364451,NA,"PDBC54395","630712","Present",NA,NA
+"54396","Toluene sulfonyl ethylenediamino isosampangine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-N-[2-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]benzenesulfonamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCNC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5","HBALHLONFUQOEK-UHFFFAOYSA-N",46854491,NA,"PDBC54396","723395","Present",NA,NA
+"54397","Tolypomycin Y",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tolypomycin Y",NA,"CC1C(C=COC2(C(=O)C3=C(O2)C(=C(C4=C3C(=NC5CCC(OC5C)O)C=C(C4=O)NC(=O)C(=CC(=O)C6CC6C(C(C(C(C1OC(=O)C)C)O)C)O)C)O)C)C)OC","RYCBEGMWBUYSAD-NLAQSMJJSA-N",135443592,NA,"PDBC54397","177383","Present",NA,NA
+"54398","Tomatonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tomatonin",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)C)OC1","JNTJNUDLVQQYGM-NRZIZFFHSA-N",401297,NA,"PDBC54398","714603","Present",NA,NA
+"54399","Tomatosid B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tomatosid B",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)O)C)C)C)OC1","GUSVHVVOABZHAH-VMQCZZOBSA-N",401301,NA,"PDBC54399","714607","Present",NA,NA
+"54400","Tomaymycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tomaymycin",NA,"CC=C1CC2C(NC3=CC(=C(C=C3C(=O)N2C1)OC)O)OC","UQVNRKBFAXNOGA-HRZZMDIGSA-N",5383620,NA,"PDBC54400","177499","Present",NA,NA
+"54401","Tomivosertib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eFT-508",NA,"CC1=C2C(=O)NC3(N2C(=O)C(=C1)NC4=NC=NC(=C4)N)CCCCC3","HKTBYUWLRDZAJK-UHFFFAOYSA-N",118598754,NA,"PDBC54401","791783","Present",NA,NA
+"54402","Toremifene citrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Toremifene///toremifene citrate (usan)",NA,"CN(C)CCOC1=CC=C(C=C1)C(=C(CCCl)C2=CC=CC=C2)C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O","IWEQQRMGNVVKQW-OQKDUQJOSA-N",3005572,NA,"PDBC54402","613680///759190","Present",NA,NA
+"54403","Torisel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Torisel",NA,"CC1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(=O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(C)CC4CCC(C(C4)OC)OC(=O)C(C)(CO)CO)C)C)O)OC)C)C)C)OC","CBPNZQVSJQDFBE-JRDRZOFESA-N",155809408,NA,"PDBC54403","800954","Present",NA,NA
+"54404","Torquatone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Torquatone",NA,"CC1=C(C(=C(C(=C1OC)C(=O)CC(C)C)OC)C)OC","PYUCCSKQLHUKCA-UHFFFAOYSA-N",256516,NA,"PDBC54404","83432","Present",NA,NA
+"54405","Torularhodin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Torularhodin",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)C=CC=C(C)C(=O)O)C)C","NESPPCWGYRQEJQ-VATUXEBJSA-N",5281248,NA,"PDBC54405","635690","Present",NA,NA
+"54406","Tos-Lys-chloromethylketone HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TLCK",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(CCCCN)C(=O)CCl.Cl","YFCUZWYIPBUQBD-UHFFFAOYSA-N",23335676,NA,"PDBC54406","727366","Present",NA,NA
+"54407","Tos-PEG6-Tos",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tos-PEG6-Tos",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C","BUHGDYPBQWWWQS-UHFFFAOYSA-N",361968,NA,"PDBC54407","625453","Present",NA,NA
+"54408","Toxicarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Toxicarol",NA,"CC1(C=CC2=C(O1)C=C(C3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)O)C","JLTNCZQNGBLBGO-UHFFFAOYSA-N",243723,NA,"PDBC54408","53864","Present",NA,NA
+"54409","Toyomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Chromomycin A3",NA,"CC1C(C(CC(O1)OC2C(CC3=C(C2=O)C(=C4C(=C3)C=C(C(=C4O)C)OC5CC(C(C(O5)C)OC(=O)C)OC6CC(C(C(O6)C)OC)O)O)C(C(=O)C(C(C)O)O)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC(=O)C)(C)O)O","ZYVSOIYQKUDENJ-MNGCYDFMSA-N",5351560,NA,"PDBC54409","58514","Present",NA,NA
+"54410","Trabectedin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC813783",NA,"CC1=CC2=C(C3C4C5C6=C(C(=C7C(=C6C(N4C(C(C2)N3C)O)COC(=O)C8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O","PKVRCIRHQMSYJX-AIFWHQITSA-N",108150,NA,"PDBC54410","813783","Present",NA,NA
+"54411","Tramazoline tosylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tramazoline tosylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)O.C1CCC2=C(C1)C=CC=C2NC3=NCCN3","QDRSWMWTRHEOCY-UHFFFAOYSA-N",298391,NA,"PDBC54411","170427","Present",NA,NA
+"54412","Trapoxin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trapoxin B",NA,"C1CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CC=CC=C3)CC4=CC=CC=C4)CCCCCC(=O)C5CO5","LLOKIGWPNVSDGJ-AFBVCZJXSA-N",395803,NA,"PDBC54412","700657","Present",NA,NA
+"54413","Tremeton",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tremeton",NA,"CC(=C)C1CC2=C(O1)C=CC(=C2)C(=O)C","UVYUUQGGBNKRFU-UHFFFAOYSA-N",317196,NA,"PDBC54413","247531","Present",NA,NA
+"54414","Tretazicar",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cb 954",NA,"C1CN1C2=C(C=C(C(=C2)C(=O)N)[N+](=O)[O-])[N+](=O)[O-]","WOCXQMCIOTUMJV-UHFFFAOYSA-N",89105,NA,"PDBC54414","115829","Present",NA,NA
+"54415","Tri(isobutenyl)-p-anisylantimony bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tri(isobutenyl)-p-anisylantimony bromide",NA,"CC(=C[Sb](C=C(C)C)(C=C(C)C)(C1=CC=C(C=C1)OC)Br)C","XXKOPGIDTPVYTH-UHFFFAOYSA-M",374022,NA,"PDBC54415","651201","Present",NA,NA
+"54416","Tri(propan-2-yl)-[(5,13,13-trimethyl-10-propan-2-yl-12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-9-yl)oxy]silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tri(propan-2-yl)-[(5,13,13-trimethyl-10-propan-2-yl-12-oxatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-9-yl)oxy]silane",NA,"CC1CCC2=C(C(=C3C4=C(C=CC1=C24)C(O3)(C)C)C(C)C)O[Si](C(C)C)(C(C)C)C(C)C","DGXLZGXIYPZGDM-UHFFFAOYSA-N",389886,NA,"PDBC54416","686515","Present",NA,NA
+"54417","Tri(tert-butyl) 7-cyano-2-((diisopropylamino)carbonyl)-1,3,5-cubanetricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tri(tert-butyl) 7-cyano-2-((diisopropylamino)carbonyl)-1,3,5-cubanetricarboxylate",NA,"CC(C)N(C(C)C)C(=O)C12C3(C4C1(C5C4(C3C25C(=O)OC(C)(C)C)C#N)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C","KQHPGQOLALKUDE-UHFFFAOYSA-N",386912,NA,"PDBC54417","679813","Present",NA,NA
+"54418","Tri-p-tolylphosphine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tri-p-tolylphosphine",NA,"CC1=CC=C(C=C1)P(C2=CC=C(C=C2)C)C3=CC=C(C=C3)C","WXAZIUYTQHYBFW-UHFFFAOYSA-N",13956,NA,"PDBC54418","97371","Present",NA,NA
+"54419","Triacetyl 13,15-isocrambescidin 800 hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triacetyl 13,14,15-isocrambescidin 800 hydrochloride",NA,"CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)CC(CCNC(=O)C)OC(=O)C)CCCC(O5)C.[Cl-]","SGKDPKUVWZUIQR-MHOCCOFMSA-N",11970117,NA,"PDBC54419","713160","Present",NA,NA
+"54420","Triacetyl crambescidin 800 hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triacetyl crambescidin 800 hydrochloride",NA,"CCC1C=CCCC2(O1)CC3CCC4[N+]3=C(N2)NC5(C4C(=O)OCCCCCCCCCCCCCCCC(=O)N(CCCNC(=O)C)CC(CCNC(=O)C)OC(=O)C)CCCC(O5)C.[Cl-]","SGKDPKUVWZUIQR-OPZNHUFPSA-N",400721,NA,"PDBC54420","713156","Present",NA,NA
+"54421","Triacetylandrographolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R,2R,4aS,5R,8aS)-5-((E)-2-((S)-4-acetoxy-2-oxodihydrof...",NA,"CC(=O)OCC1(C2CCC(=C)C(C2(CCC1OC(=O)C)C)CC=C3C(COC3=O)OC(=O)C)C","KJFJXGDQSMGFTO-GSGGYZLZSA-N",21679044,NA,"PDBC54421","780381","Present",NA,NA
+"54422","Triallyl isocyanurate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triallyl isocyanurate",NA,"C=CCN1C(=O)N(C(=O)N(C1=O)CC=C)CC=C","KOMNUTZXSVSERR-UHFFFAOYSA-N",13931,NA,"PDBC54422","11692","Present",NA,NA
+"54423","Triazinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Soluble Baker's Antifol",NA,"CCS(=O)(=O)O.CC1(N=C(N=C(N1C2=CC(=C(C=C2)OCC3=CC(=CC=C3)C(=O)N(C)C)Cl)N)N)C","HKPVIFTWECXNPY-UHFFFAOYSA-N",38777,NA,"PDBC54423","139105","Present",NA,NA
+"54424","Triazine, acyloxycarbamate analog 5E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NOCAS_878047",NA,"CCCC(=O)OCOC(=O)N(C)N=NC1=CC=C(C=C1)C(=O)OCC","QYMCCKOCTMXKQL-UHFFFAOYSA-N",396590,NA,"PDBC54424","703098","Present",NA,NA
+"54425","Triazolothiadaizoles",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIAZOLOTHIADAIZOLES",NA,"COC1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC(=C(C=C4Cl)Cl)F","RGRMDSUIDOUXCS-UHFFFAOYSA-N",24744454,NA,"PDBC54425","741321","Present",NA,NA
+"54426","Triazure",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Azaribine",NA,"CC(=O)OCC1C(C(C(O1)N2C(=O)NC(=O)C=N2)OC(=O)C)OC(=O)C","QQOBRRFOVWGIMD-UHFFFAOYSA-N",249187,NA,"PDBC54426","67239","Present",NA,NA
+"54427","Tribenzyltin acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tribenzyltin acetate",NA,"CC(=O)O[Sn](CC1=CC=CC=C1)(CC2=CC=CC=C2)CC3=CC=CC=C3","LNANSYMQXPWAEI-UHFFFAOYSA-M",16683337,NA,"PDBC54427","164909","Present",NA,NA
+"54428","Tribiphenyl-4-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIS(4-BIPHENYLYL)METHANOL",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C4=CC=CC=C4)(C5=CC=C(C=C5)C6=CC=CC=C6)O","FURWFDHTIUIMDC-UHFFFAOYSA-N",219999,NA,"PDBC54428","2053","Present",NA,NA
+"54429","Tribromsalan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tribromsalan",NA,"C1=CC(=CC=C1NC(=O)C2=C(C(=CC(=C2)Br)Br)O)Br","KVSKGMLNBAPGKH-UHFFFAOYSA-N",14868,NA,"PDBC54429","20526","Present",NA,NA
+"54430","Tributyl((methoxy(phenyl)acetyl)oxy)germane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tributyl((methoxy(phenyl)acetyl)oxy)germane",NA,"CCCC[Ge](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC","LNNLMZYFZFDDOI-UHFFFAOYSA-N",16683234,NA,"PDBC54430","645576","Present",NA,NA
+"54431","Tributyl((methoxy(phenyl)acetyl)oxy)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tributyl((methoxy(phenyl)acetyl)oxy)stannane",NA,"CCCC[Sn](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC","UJNPNWZXIJKMGJ-UHFFFAOYSA-M",16683236,NA,"PDBC54431","645578","Present",NA,NA
+"54432","Tributyl(stearoyloxy)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIBUTYLTIN STEARATE",NA,"CCCCCCCCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC","GQZXITZWLBSSOI-UHFFFAOYSA-M",16683280,NA,"PDBC54432","99182","Present",NA,NA
+"54433","Tributyl(undec-10-enoyloxy)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIBUTYLTIN UNDECYLENATE",NA,"CCCC[Sn](CCCC)(CCCC)OC(=O)CCCCCCCCC=C","XEMFLPGDKXELSO-UHFFFAOYSA-M",16683279,NA,"PDBC54433","99171","Present",NA,NA
+"54434","Tributylgermyl 2-acetoxy-2-phenyl-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tributylgermyl 2-acetoxy-2-phenyl-acetate",NA,"CCCC[Ge](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC(=O)C","MOSKYZDHZOETFH-UHFFFAOYSA-N",16683233,NA,"PDBC54434","645575","Present",NA,NA
+"54435","Tributylgermyl 2-chloroacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tributylgermyl 2-chloroacetate",NA,"CCCC[Ge](CCCC)(CCCC)OC(=O)CCl","MPEJSOKWKQVFFM-UHFFFAOYSA-N",16683248,NA,"PDBC54435","653556","Present",NA,NA
+"54436","Tributylgermyl 2-hydroxy-2-phenyl-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tributylgermyl 2-hydroxy-2-phenyl-acetate",NA,"CCCC[Ge](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)O","IHDDJXDQIOXBRJ-UHFFFAOYSA-N",16683229,NA,"PDBC54436","645571","Present",NA,NA
+"54437","Tributylgermyl 3-oxo-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tributylgermyl 3-oxo-3-phenyl-propanoate",NA,"CCCC[Ge](CCCC)(CCCC)OC(=O)CC(=O)C1=CC=CC=C1","UHNITIHSSRWMJK-UHFFFAOYSA-N",16683249,NA,"PDBC54437","653557","Present",NA,NA
+"54438","Tributyllead chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tributylchlorolead",NA,"CCCC[Pb](CCCC)(CCCC)Cl","OCQHDJVUUKFOFH-UHFFFAOYSA-M",25842,NA,"PDBC54438","168597","Present",NA,NA
+"54439","Tributylstannyl 2-acetoxy-2-phenyl-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tributylstannyl 2-acetoxy-2-phenyl-acetate",NA,"CCCC[Sn](CCCC)(CCCC)OC(=O)C(C1=CC=CC=C1)OC(=O)C","WJLNJZMTFIOXKN-UHFFFAOYSA-M",16683237,NA,"PDBC54439","645579","Present",NA,NA
+"54440","Tributyltin 2,4-dichlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIBUTYLTIN 2,4-DICHLOROBENZOATE",NA,"CCCC[Sn](CCCC)(CCCC)OC(=O)C1=C(C=C(C=C1)Cl)Cl","FECJFQGVPGQQCF-UHFFFAOYSA-M",16683297,NA,"PDBC54440","117175","Present",NA,NA
+"54441","Tributyltin chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tributylchlorotin",NA,"CCCC[Sn](CCCC)(CCCC)Cl","GCTFWCDSFPMHHS-UHFFFAOYSA-M",15096,NA,"PDBC54441","22323","Present",NA,NA
+"54442","Tributyltin laurate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tributyltin laurate",NA,"CCCCCCCCCCCC(=O)O[Sn](CCCC)(CCCC)CCCC","HFFZSMFXOBHQLV-UHFFFAOYSA-M",16683295,NA,"PDBC54442","113254","Present",NA,NA
+"54443","Tributyltin propionate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIBUTYLTIN PROPIONATE",NA,"CCCC[Sn](CCCC)(CCCC)OC(=O)CC","AHIXTTGLRFPWJF-UHFFFAOYSA-M",16683278,NA,"PDBC54443","99154","Present",NA,NA
+"54444","Tributyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIBUTYRIN",NA,"CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC","UYXTWWCETRIEDR-UHFFFAOYSA-N",6050,NA,"PDBC54444","661583","Present",NA,NA
+"54445","Tricarballylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tricarballylate",NA,"C(C(CC(=O)O)C(=O)O)C(=O)O","KQTIIICEAUMSDG-UHFFFAOYSA-N",14925,NA,"PDBC54445","2347","Present",NA,NA
+"54446","Trichilia dregeana (seeds-substance UN4)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rohituka 7",NA,"CCC(C)C(C(=O)OC1C(C(C(=C)C2(C1(C(CC2OC(=O)C)C3=COC=C3)C)O)C4(C=CC(=O)OC5(C4CC(=O)OC5)C)C)OC=O)O","ZZPUDABJUQWRTM-UHFFFAOYSA-N",433158,NA,"PDBC54446","324051","Present",NA,NA
+"54447","Trichloro(1-phenyl-2,3-butanedionato)molybdenum(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichloro(1-phenyl-2,3-butanedionato)molybdenum(IV)",NA,NA,NA,NA,NA,"PDBC54447","631887","Present",NA,NA
+"54448","Trichlorononavinylpyrrolidoneruthenium(III)-hemi- hydroc...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorononavinylpyrrolidoneruthenium(III)-hemi- hydroc...",NA,NA,NA,NA,NA,"PDBC54448","639602","Present",NA,NA
+"54449","Trichlorooxobisoxinatomolybdenum(VI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorooxobisoxinatomolybdenum(VI)",NA,"C1=CC2=C(C(=C1)[O-])N=CC=C2.C1=CC2=C(C(=C1)[O-])N=CC=C2.O=[Mo].[Cl-].[Cl-].[Cl-]","HJXRHCUIURMYCZ-UHFFFAOYSA-I",365257,NA,"PDBC54449","632804","Present",NA,NA
+"54450","Trichlorotris(1,5-dimethyltetrazole)ruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris(1,5-dimethyltetrazole)ruthenium(III)",NA,NA,NA,NA,NA,"PDBC54450","631472","Present",NA,NA
+"54451","Trichlorotris(3-methylpyrazole)ruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris(3-methylpyrazole)ruthenium(III)",NA,NA,NA,NA,NA,"PDBC54451","630116","Present",NA,NA
+"54452","Trichlorotris(4-dimethylaminopyridine)ruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris(4-dimethylaminopyridine)ruthenium(III)",NA,NA,NA,NA,NA,"PDBC54452","631468","Present",NA,NA
+"54453","Trichlorotris(4-hydroxypyridine)ruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris(4-hydroxypyridine)ruthenium(III)",NA,NA,NA,NA,NA,"PDBC54453","631473","Present",NA,NA
+"54454","Trichlorotris(4-tert-butylpyridine)ruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris(4-tert-butylpyridine)ruthenium(III)",NA,NA,NA,NA,NA,"PDBC54454","631469","Present",NA,NA
+"54455","Trichlorotris(4-vinylpyridine)ruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris(4-vinylpyridine)ruthenium(III)",NA,NA,NA,NA,NA,"PDBC54455","631470","Present",NA,NA
+"54456","Trichlorotris(pyridine-4-aldehyde)ruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris(pyridine-4-aldehyde)ruthenium(III)",NA,NA,NA,NA,NA,"PDBC54456","631471","Present",NA,NA
+"54457","Trichlorotris-1-methylimidazoleruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris-1-methylimidazoleruthenium(III)",NA,NA,NA,NA,NA,"PDBC54457","631474","Present",NA,NA
+"54458","Trichlorotris-1-methyltriazoleruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris-1-methyltriazoleruthenium(III)",NA,NA,NA,NA,NA,"PDBC54458","630129","Present",NA,NA
+"54459","Trichlorotris-3-(t-butyl)pyrazoleruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris-3-(t-butyl)pyrazoleruthenium(III)",NA,NA,NA,NA,NA,"PDBC54459","630128","Present",NA,NA
+"54460","Trichlorotris-4-benzoylpyridineruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotris-4-benzoylpyridineruthenium(III)",NA,NA,NA,NA,NA,"PDBC54460","630136","Present",NA,NA
+"54461","Trichlorotrisimidazoleruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotrisimidazoleruthenium(III)",NA,NA,NA,NA,NA,"PDBC54461","630111","Present",NA,NA
+"54462","Trichlorotrispyrazoleruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotrispyrazoleruthenium(III)",NA,NA,NA,NA,NA,"PDBC54462","631476","Present",NA,NA
+"54463","Trichlorotrispyridazineruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichlorotrispyridazineruthenium(III)",NA,NA,NA,NA,NA,"PDBC54463","631475","Present",NA,NA
+"54464","Trichocereine chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichocereine chloride",NA,"CN(C)CCC1=CC(=C(C(=C1)OC)OC)OC.Cl","SWODTFSJPQTUJN-UHFFFAOYSA-N",24191561,NA,"PDBC54464","123393","Present",NA,NA
+"54465","Trichodermin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC267033///NSC73846",NA,"CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)C)C)C","HNEGCRMUYSKRRR-OKZUVXGGSA-N",6711209,NA,"PDBC54465","267033///73846","Present",NA,NA
+"54466","Trichogin A IV",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichogin A IV",NA,"CCCCCCCC(=O)NC(C)(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C(C)CC)C(=O)NC(CC(C)C)CO","LZAAXJCEERCDPT-UHFFFAOYSA-N",197387,NA,"PDBC54466","717182","Present",NA,NA
+"54467","Trichonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichonin",NA,"CC(C1CCC2(C1(CC=C3C2CCC4C3(CCC(C4(C)C)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)O)O)C)C)C)C(CC(=O)C(C)(C)O)O","UTLMKDSLDXMRLW-CQPFYUCGSA-N",5458918,NA,"PDBC54467","381059","Present",NA,NA
+"54468","Trichopolyn",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichopolyn",NA,"CCCCCCCCC(C)C(=O)N1CCCC1C(=O)N2C(CC(CC2C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)CN(C)CCO)C)CC(=O)CC","DAWXCYYFNBEVJN-UHFFFAOYSA-N",431962,NA,"PDBC54468","301460","Present",NA,NA
+"54469","Trichothec-9-ene-4, 12,13-epoxy-, cyclic ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trichothec-9-ene-4,15-diol, 12,13-epoxy-, cyclic ester",NA,"CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)OC(=O)C=CC=CC(C(C)O)OCCC5=CC(=O)OC5)C)CO","JGIYRVDWRBKREW-YDFGWWAZSA-N",5477574,NA,"PDBC54469","331120","Present",NA,NA
+"54470","Tricinolone acetophenonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tricinolone acetophenonide",NA,"CC12CC(C3(C(C1CC4C2(OC(O4)(C)C5=CC=CC=C5)C(=O)CO)CCC6=CC(=O)C=CC63C)F)O","HCKFPALGXKOOBK-ZPHQKVKWSA-N",235856,NA,"PDBC54470","37641","Present",NA,NA
+"54471","Triclocarban",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cusiter",NA,"C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl","ICUTUKXCWQYESQ-UHFFFAOYSA-N",7547,NA,"PDBC54471","72005","Present",NA,NA
+"54472","Triclosan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triclosan (usan)",NA,"C1=CC(=C(C=C1Cl)O)OC2=C(C=C(C=C2)Cl)Cl","XEFQLINVKFYRCS-UHFFFAOYSA-N",5564,NA,"PDBC54472","759151","Present",NA,NA
+"54473","Tricolorin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tricolorin A",NA,"CCCCCC1CCCCCCCCCC(=O)OC2C(C(OC(C2OC3C(C(C(C(O3)C)OC(=O)C(C)CC)OC4C(C(C(C(O4)C)O)O)O)OC(=O)C(C)CC)OC5C(C(C(OC5O1)C)O)O)CO)O","DWBKNMQALHFQLC-FRANOHTFSA-N",6712334,NA,"PDBC54473","670190","Present",NA,NA
+"54474","Tricyanoethoxymethyl trimethylol melamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tricyanoethoxymethyl trimethylol melamine",NA,"C(COCN(CO)C1=NC(=NC(=N1)N(CO)COCCC#N)N(CO)COCCC#N)C#N","NPNNTIGEXAGSMY-UHFFFAOYSA-N",374757,NA,"PDBC54474","653001","Present",NA,NA
+"54475","Tricyclo[3.3.0.03,7]octane-2-carboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tricyclo[3.3.0.03,7]octane-2-carboxylic acid",NA,"C1C2CC3C1CC2C3C(=O)O","ZSYWUFVACVUMCK-UHFFFAOYSA-N",362196,NA,"PDBC54475","625794","Present",NA,NA
+"54476","Tricyclo[3.3.1.0(sup 2, 3-phosphono-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tricyclo[3.3.1.0(sup 2,7)]non-3-3n3-1-carboxylic acid, 3...",NA,"C1C2CC3(C2C=C(C1C3)P(=O)(O)O)C(=O)O","SXBBKMOVSMMCCS-UHFFFAOYSA-N",374709,NA,"PDBC54476","652894","Present",NA,NA
+"54477","Tricyclo[3.3.1.1~3,7~]tetraarsoxane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC759274",NA,"O1[As]2O[As]3O[As]1O[As](O2)O3","KTTMEOWBIWLMSE-UHFFFAOYSA-N",518605,NA,"PDBC54477","759274","Present",NA,NA
+"54478","Tricyclodaucene & tricyclocarotene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tricyclodaucene & tricyclocarotene",NA,"CC1=CCC2C3(CCC2(C1C3)C(C)C)C.CC(=C1C2CCC3(C1CC2(CC3)C)C)C","FSKHXDVHKBYFSX-UHFFFAOYSA-N",431033,NA,"PDBC54478","287971","Present",NA,NA
+"54479","Tricyclopinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tricyclopinate",NA,"CN1CCC(CC1)OC(=O)C2(C3=CC=CC=C3OC4=CC=CC=C42)O","XWNYLOBIJMEALR-UHFFFAOYSA-N",175909,NA,"PDBC54479","665884","Present",NA,NA
+"54480","Tridecylboronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tridecylboronic acid",NA,"B(CCCCCCCCCCCCC)(O)O","IBKXABQGVIIFFS-UHFFFAOYSA-N",368422,NA,"PDBC54480","639424","Present",NA,NA
+"54481","Tridecylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tridecylphosphonic acid",NA,"CCCCCCCCCCCCCP(=O)(O)O","KREGXBHGJXTOKZ-UHFFFAOYSA-N",368410,NA,"PDBC54481","639414","Present",NA,NA
+"54482","Tridentatol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tridentatol A",NA,"CSC(=NC=CC1=CC=CC=C1)SC","RGWVCLUQWAYHJB-CMDGGOBGSA-N",5470024,NA,"PDBC54482","696674","Present",NA,NA
+"54483","Trienine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trienine",NA,NA,NA,NA,NA,"PDBC54483","126730","Present",NA,NA
+"54484","Trientine HCl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethylenetetramine tetrahydrochloride",NA,"C(CNCCNCCN)N.Cl","XPVOJYDIBHYVFL-UHFFFAOYSA-N",5458180,NA,"PDBC54484","158271","Present",NA,NA
+"54485","Triethanolamine-germane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethanolamine-germane",NA,NA,NA,NA,NA,"PDBC54485","638257","Present",NA,NA
+"54486","Triethyl 2-methyl-1-(4-methylphenyl)-5-oxobenzo[g]indole-3,4,4-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl 2-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4h-benzo[g]indole-3,4,4-tricarboxylate",NA,"CCOC(=O)C1=C(N(C2=C1C(C(=O)C3=CC=CC=C32)(C(=O)OCC)C(=O)OCC)C4=CC=C(C=C4)C)C","UAPSRTCRCQEISM-UHFFFAOYSA-N",405619,NA,"PDBC54486","722989","Present",NA,NA
+"54487","Triethyl 2-phenyl-1,3,3-butanetricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl 2-phenyl-1,3,3-butanetricarboxylate",NA,"CCOC(=O)CC(C1=CC=CC=C1)C(C)(C(=O)OCC)C(=O)OCC","MZHRBTMGSWUPTI-UHFFFAOYSA-N",380814,NA,"PDBC54487","666535","Present",NA,NA
+"54488","Triethyl 2-phosphono-3-(2-methyl-3-indole)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl 2-phosphono-3-(2-methyl-3-indole)acrylate",NA,"CCOC(=O)C(=CC1=C(NC2=CC=CC=C21)C)P(=O)(OCC)OCC","CNGWCJAGUQAUDZ-SFQUDFHCSA-N",5467933,NA,"PDBC54488","660155","Present",NA,NA
+"54489","Triethyl 2-phosphono-3-(3-indole)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl 2-phosphono-3-(3-indole)acrylate",NA,"CCOC(=O)C(=CC1=CNC2=CC=CC=C21)P(=O)(OCC)OCC","ZEAQNVIDMHFNIL-LFIBNONCSA-N",5467930,NA,"PDBC54489","660152","Present",NA,NA
+"54490","Triethyl 2-phosphono-3-(4-quinoline)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl 2-phosphono-3-(4-quinoline)acrylate",NA,"CCOC(=O)C(=CC1=CC=NC2=CC=CC=C12)P(=O)(OCC)OCC","PZABUELMIXZEIR-GHRIWEEISA-N",5467925,NA,"PDBC54490","660145","Present",NA,NA
+"54491","Triethyl 2-phosphono-3-(5-hydroxymethyl-2-furyl)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl 2-phosphono-3-(5-hydroxymethyl-2-furyl)acrylate",NA,"CCOC(=O)C(=CC1=CC=C(O1)CO)P(=O)(OCC)OCC","LWPOCTRSPMRIIZ-UKTHLTGXSA-N",5467924,NA,"PDBC54491","660144","Present",NA,NA
+"54492","Triethyl 3-methoxy-4-oxo-3H-pyridazino[3,4-b]indole-1,2,9-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl 3-methoxy-4-oxo-3H-pyridazino[3,4-b]indole-1,2,9-tricarboxylate",NA,"CCOC(=O)N1C(C(=O)C2=C(N1C(=O)OCC)N(C3=CC=CC=C32)C(=O)OCC)OC","HQAKEXUTVHEVBV-UHFFFAOYSA-N",393591,NA,"PDBC54492","695662","Present",NA,NA
+"54493","Triethyl 4-(dimethylamino)phenylimidophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4-[(triethoxy-$l^{5}-phosphanylidene)amino]aniline",NA,"CCOP(=NC1=CC=C(C=C1)N(C)C)(OCC)OCC","JEIKXXFUBQEYBO-UHFFFAOYSA-N",392806,NA,"PDBC54493","693725","Present",NA,NA
+"54494","Triethyl 4-(methylthio)-12bH-[1,4]thiazepino[5,4-a]isoquinoline-1,2,5-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl 4-(methylthio)-12bH-[1,4]thiazepino[5,4-a]isoquinoline-1,2,5-tricarboxylate",NA,"CCOC(=O)C1=C(SC(=C(N2C1C3=CC=CC=C3C=C2)C(=O)OCC)SC)C(=O)OCC","KMJKZQNNWZIPJR-UHFFFAOYSA-N",375062,NA,"PDBC54494","653945","Present",NA,NA
+"54495","Triethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate",NA,"CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)NC3=CC=CC=C3)C)C(=O)OCC)C(=O)OCC)N)NC(=O)NC4=CC=CC=C4)C","VPXBDLLKSQEKCV-UHFFFAOYSA-N",364562,NA,"PDBC54495","630982","Present",NA,NA
+"54496","Triethyl 6a-amino-2,5-dimethyl-1,6-diureido-pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl 6a-amino-2,5-dimethyl-1,6-diureido-pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate",NA,"CCOC(=O)C1=C(N(C2(C1(C(=C(N2NC(=O)N)C)C(=O)OCC)C(=O)OCC)N)NC(=O)N)C","SSLPCXAUHGVVIO-UHFFFAOYSA-N",367828,NA,"PDBC54496","637903","Present",NA,NA
+"54497","Triethyl Orthobutyrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triethoxybutane",NA,"CCCC(OCC)(OCC)OCC","KOPMZTKUZCNGFY-UHFFFAOYSA-N",371779,NA,"PDBC54497","646223","Present",NA,NA
+"54498","Triethyl pyrrylidene phosphono acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl pyrrylidene phosphono acetate",NA,"CCOC(=O)C(=CC1=CC=CN1)P(=O)(OCC)OCC","LLQRYQKRAKLSDM-BENRWUELSA-N",50990828,NA,"PDBC54498","643138","Present",NA,NA
+"54499","Triethyl thenylidenephosphonoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl thenylidenephosphonoacetate",NA,"CCOC(=O)C(=CC1=CC=CS1)P(=O)(OCC)OCC","JKDPVZOHGWWADR-ZRDIBKRKSA-N",5848275,NA,"PDBC54499","643149","Present",NA,NA
+"54500","Triethyl-[(1-methoxycarbonylindol-2-yl)methyl]azanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl-[(1-methoxycarbonylindol-2-yl)methyl]azanium;bromide",NA,"CC[N+](CC)(CC)CC1=CC2=CC=CC=C2N1C(=O)OC.[Br-]","AZBGIZPBJVVSFE-UHFFFAOYSA-M",374852,NA,"PDBC54500","653277","Present",NA,NA
+"54501","Triethyl-o-bromo-alpha-phosphono-cinnamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethyl-o-bromo-.alpha.-phosphono-cinnamate",NA,"CCOC(=O)C(=CC1=CC=CC=C1Br)P(=O)(OCC)OCC","PUTFGWYYLOSCIJ-KAMYIIQDSA-N",6477312,NA,"PDBC54501","643019","Present",NA,NA
+"54502","Triethylenetetramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"teta",NA,"C(CNCCNCCN)N","VILCJCGEZXAXTO-UHFFFAOYSA-N",5565,NA,"PDBC54502","443","Present",NA,NA
+"54503","Triethylfurfurylidene phosphono acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethylfurfurylidene phosphono acetate",NA,"CCOC(=O)C(=CC1=CC=CO1)P(=O)(OCC)OCC","PCFIESHBNVKORO-BENRWUELSA-N",50990832,NA,"PDBC54503","643035","Present",NA,NA
+"54504","Triethylgermyl 2-acetoxy-2-phenyl-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Oxo-1-phenyl-2-((triethylgermyl)oxy)ethyl acetate",NA,"CC[Ge](CC)(CC)OC(=O)C(C1=CC=CC=C1)OC(=O)C","RWQNINVVWMSGSA-UHFFFAOYSA-N",16683232,NA,"PDBC54504","645574","Present",NA,NA
+"54505","Triethylgermyl 2-phenyl-2-triethylgermyloxy-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triethylgermyl 2-phenyl-2-triethylgermyloxy-acetate",NA,"CC[Ge](CC)(CC)OC(C1=CC=CC=C1)C(=O)O[Ge](CC)(CC)CC","BNCRCLGGJCZFIN-UHFFFAOYSA-N",16683228,NA,"PDBC54505","645570","Present",NA,NA
+"54506","Triethyltin chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chlorotriethyltin",NA,"CC[Sn](CC)(CC)Cl","PIMYDFDXAUVLON-UHFFFAOYSA-M",13820,NA,"PDBC54506","5283","Present",NA,NA
+"54507","Triferric doxorubicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Adriamycin-DNA hydrochloride",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O","AOJJSUZBOXZQNB-UHFFFAOYSA-N",1691,NA,"PDBC54507","169534","Present",NA,NA
+"54508","Trifluoro-(2-tetrahydrothiophen-1-ium-1-ylcyclododecoxy)boranuide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trifluoro-(2-tetrahydrothiophen-1-ium-1-ylcyclododecoxy)boranuide",NA,NA,NA,NA,NA,"PDBC54508","666405","Present",NA,NA
+"54509","Trifluoroethylhomocysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trifluoroethylhomocysteine",NA,"C(CSCC(F)(F)F)C(C(=O)O)N","NETJODBABUASCL-UHFFFAOYSA-N",369964,NA,"PDBC54509","642476","Present",NA,NA
+"54510","Trifluoroethylthioadenosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trifluoroethylthioadenosine",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CSCC(F)(F)F)O)O)N","OADDFVPHOXLNAW-UHFFFAOYSA-N",369963,NA,"PDBC54510","642475","Present",NA,NA
+"54511","Trifluoromethanesulfinic acid 3,7-dimethyl-6-octenyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-Dimethyloct-6-en-1-yl trifluoromethanesulfinate",NA,"CC(CCC=C(C)C)CCOS(=O)C(F)(F)F","VRIDPOADNMGKTP-UHFFFAOYSA-N",402494,NA,"PDBC54511","716520","Present",NA,NA
+"54512","Trifluoromethanesulfonate;triphenyl(prop-1-ynyl)phosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trifluoromethanesulfonate;triphenyl(prop-1-ynyl)phosphanium",NA,"CC#C[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C(F)(F)(F)S(=O)(=O)[O-]","XDPIKSUDNQJSLB-UHFFFAOYSA-M",24202391,NA,"PDBC54512","646702","Present",NA,NA
+"54513","Triflupromazine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC14959///NSC17473///TRIFLUPROMAZINE HYDROCHLORIDE",NA,"CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(F)(F)F.Cl","FTNWXGFYRHWUKG-UHFFFAOYSA-N",66069,NA,"PDBC54513","14959///17473///758387","Present",NA,NA
+"54514","Trigilletine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trigilletine",NA,"CN1CCC2=CC(=C3C4=C2C1CC5=CC=C(C=C5)OC6=C(C=CC(=C6)CC7C8=CC(=C(O3)C=C8CCN7)O4)OC)OC","DJAWTLHBPPQMPV-UHFFFAOYSA-N",301935,NA,"PDBC54514","181486","Present",NA,NA
+"54515","Trigonoside II",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trigonoside II",NA,"CC1(C(CCC23C1C(CC4C2(C3)CCC5(C4(CC(C5C6(CCC(O6)C(C)(C)O)C)O)C)C)OC7C(C(C(CO7)O)O)O)OC8C(C(C(CO8)O)O)OC9C(C(C(CO9)O)O)O)C","NAUZBQMEOYSERD-LIJSAVAVSA-N",390134,NA,"PDBC54515","687161","Present",NA,NA
+"54516","Trigonoside III",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trigonoside III",NA,"CC(=O)OC1C(COC(C1OC2C(C(C(CO2)O)O)O)OC3CCC45CC46CCC7(C(C(CC7(C6CC(C5C3(C)C)OC8C(C(C(CO8)O)O)O)C)O)C9(CCC(O9)C(C)(C)O)C)C)O","BTTRQTJYXLOSMR-ZRDBHGEMSA-N",390135,NA,"PDBC54516","687162","Present",NA,NA
+"54517","Trihexyl(tetradecyl)Phosphonium Hexafluorophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trihexyl(tetradecyl)Phosphonium Hexafluorophosphate",NA,NA,NA,NA,NA,"PDBC54517","747252","Present",NA,NA
+"54518","Trihexyl(tetradecyl)phosphonium Tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trihexyl(tetradecyl)phosphonium Tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC54518","747253","Present",NA,NA
+"54519","Trihexyltetradecylphosphonium bis(trifluoromethylsulfonyl)amide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trihexyl(tetradecyl)Phosphonium Bis (Trifluoromethylsulf...",NA,"CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F","HYNYWFRJHNNLJA-UHFFFAOYSA-N",11181836,NA,"PDBC54519","747251","Present",NA,NA
+"54520","Trihydroxy-azatoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trihydroxy-azatoxin",NA,"C1C2COC(=O)N2C(C3=C1C4=CC=CC=C4N3)C5=CC(=C(C(=C5)O)O)O","UOBZFFJDXWHWIK-DYZYQPBXSA-N",381591,NA,"PDBC54520","668382","Present",NA,NA
+"54521","Triiodobis(2,2'-bipyridine)molybdenum(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triiodobis(2,2'-bipyridine)molybdenum(III)",NA,NA,NA,NA,NA,"PDBC54521","632803","Present",NA,NA
+"54522","Trilaciclib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trilaciclib dihydrochloride",NA,"CN1CCN(CC1)C2=CN=C(C=C2)NC3=NC=C4C=C5C(=O)NCC6(N5C4=N3)CCCCC6","PDGKHKMBHVFCMG-UHFFFAOYSA-N",68029831,NA,"PDBC54522","816987","Present",NA,NA
+"54523","Trilobacinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trilobacinone",NA,"CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CCCCCCCCCCC3CC(C(=O)O3)CC(=O)C)O)O","KGGVWMAPBXIMEM-JZJUQUEYSA-N",393462,NA,"PDBC54523","695395","Present",NA,NA
+"54524","Trimelamol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIMETHYL TMM",NA,"CN(CO)C1=NC(=NC(=N1)N(C)CO)N(C)CO","MHVFYGIQJNFWGQ-UHFFFAOYSA-N",92368,NA,"PDBC54524","283162","Present",NA,NA
+"54525","Trimethyl 12cH-4,8,12-trioxadibenzo[cd,mn]pyrene-2,6,10-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 8,14,22-trioxahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9,11,13(21),15(20),16,18-nonaene-5,11,17-tricarboxylate",NA,"COC(=O)C1=CC2=C3C4C5=C(C=C(C=C5OC3=C1)C(=O)OC)OC6=C4C(=CC(=C6)C(=O)OC)O2","LEVKJIAVSWAYIO-UHFFFAOYSA-N",393371,NA,"PDBC54525","695179","Present",NA,NA
+"54526","Trimethyl 2,5-dimethyl-1,3-oxazole-4,4,5(5H)-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 2,5-dimethyl-1,3-oxazole-4,4,5(5H)-tricarboxylate",NA,"CC1=NC(C(O1)(C)C(=O)OC)(C(=O)OC)C(=O)OC","MMBALTKZDLDBRP-UHFFFAOYSA-N",395875,NA,"PDBC54526","700970","Present",NA,NA
+"54527","Trimethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)-1,1,3-propanetricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 2-(2-oxo-4,5-diphenyl-1,3-oxazolidin-3-yl)-1,1,3-propanetricarboxylate",NA,"COC(=O)CC(C(C(=O)OC)C(=O)OC)N1C(C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3","YUNYFHQSTFMBMO-UHFFFAOYSA-N",373026,NA,"PDBC54527","648854","Present",NA,NA
+"54528","Trimethyl 2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-1,1,3-propanetricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 2-(2-oxo-4-phenyl-1,3-oxazolidin-3-yl)-1,1,3-propanetricarboxylate",NA,"COC(=O)CC(C(C(=O)OC)C(=O)OC)N1C(COC1=O)C2=CC=CC=C2","UZTLVNQBUNGEEV-UHFFFAOYSA-N",373022,NA,"PDBC54528","648849","Present",NA,NA
+"54529","Trimethyl 2-[(E)-4-methoxy-4-oxobut-2-enoyl]-7-azabicyclo[2.2.1]heptane-1,3,4-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 3-(4-methoxy-4-oxo-2-butenoyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate",NA,"COC(=O)C=CC(=O)C1C(C2(CCC1(N2)C(=O)OC)C(=O)OC)C(=O)OC","HGQDKBWAZANSIK-AATRIKPKSA-N",5777548,NA,"PDBC54529","625564","Present",NA,NA
+"54530","Trimethyl 2-phosphono-3-(2-furan)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 2-phosphono-3-(2-furan)acrylate",NA,"COC(=O)C(=CC1=CC=CO1)P(=O)(OC)OC","QAAQMJIHZOHTPF-VQHVLOKHSA-N",5467926,NA,"PDBC54530","660147","Present",NA,NA
+"54531","Trimethyl 2-phosphono-3-methyl-(2-furan)acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 2-phosphono-3-methyl-(2-furan)acrylate",NA,"CC(=C(C(=O)OC)P(=O)(OC)OC)C1=CC=CO1","MTLZCUMITOMHMK-CSKARUKUSA-N",5467927,NA,"PDBC54531","660148","Present",NA,NA
+"54532","Trimethyl 3-(3-methoxy-3-oxo-1-propenyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 3-(3-methoxy-3-oxo-1-propenyl)-7-azabicyclo[2.2.1]heptane-1,2,4-tricarboxylate",NA,"COC(=O)C=CC1C(C2(CCC1(N2)C(=O)OC)C(=O)OC)C(=O)OC","JZWLDPATPYTKFV-AATRIKPKSA-N",5387653,NA,"PDBC54532","625562","Present",NA,NA
+"54533","Trimethyl 4-methoxy-5-(1,3,4-triphenyl-2H-1$l^{5}-phosphet-1-ylidene)cyclopenta-1,3-diene-1,2,3-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 4-methoxy-5-(1,3,4-triphenyl-2H-1lambda5-phosphet-1-ylidene)cyclopenta-1,3-diene-1,2,3-tricarboxylate",NA,"COC1=C(C(=C(C1=P2(CC(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)OC)C(=O)OC)C(=O)OC","SZXBFKJYYYMBQY-UHFFFAOYSA-N",391572,NA,"PDBC54533","690983","Present",NA,NA
+"54534","Trimethyl 4-oxo-1,2,4-butanetricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 4-oxo-1,2,4-butanetricarboxylate",NA,"COC(=O)CC(CC(=O)C(=O)OC)C(=O)OC","PRDNNRQMPWWYTB-UHFFFAOYSA-N",372208,NA,"PDBC54534","647159","Present",NA,NA
+"54535","Trimethyl 5-(2-allylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 5-(2-allylphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-1,2,3-tricarboxylate",NA,"COC(=O)C1=C(C2(CC(C1O2)C3=CC=CC=C3CC=C)C(=O)OC)C(=O)OC","ZYTMKFVHWPBEFI-UHFFFAOYSA-N",379166,NA,"PDBC54535","663578","Present",NA,NA
+"54536","Trimethyl 5H-pyrido[4,3-b]indole-1,3,4-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 5H-pyrido[4,3-b]indole-1,3,4-tricarboxylate",NA,"COC(=O)C1=C(N=C(C2=C1NC3=CC=CC=C32)C(=O)OC)C(=O)OC","CWXLQYICMQJSEO-UHFFFAOYSA-N",358640,NA,"PDBC54536","618651","Present",NA,NA
+"54537","Trimethyl 6-hydroxy-6-(2-methoxy-2-oxoethyl)-3-oxo-5-(2-phenylvinyl)-1,2,4-cyclohexanetricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 6-hydroxy-6-(2-methoxy-2-oxoethyl)-3-oxo-5-(2-phenylvinyl)-1,2,4-cyclohexanetricarboxylate",NA,"COC(=O)CC1(C(C(C(=O)C(C1C(=O)OC)C(=O)OC)C(=O)OC)C=CC2=CC=CC=C2)O","CUDIUPXQNWSEJI-ZHACJKMWSA-N",5468587,NA,"PDBC54537","672129","Present",NA,NA
+"54538","Trimethyl 6-hydroxy-6-(2-methoxy-2-oxoethyl)-5-(2-methyl-1-propenyl)-3-oxo-1,2,4-cyclohexanetricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 6-hydroxy-6-(2-methoxy-2-oxoethyl)-5-(2-methylprop-1-enyl)-3-oxocyclohexane-1,2,4-tricarboxylate",NA,"CC(=CC1C(C(=O)C(C(C1(CC(=O)OC)O)C(=O)OC)C(=O)OC)C(=O)OC)C","IWJCLYJPNHEVAA-UHFFFAOYSA-N",383707,NA,"PDBC54538","672128","Present",NA,NA
+"54539","Trimethyl 6a-amino-1,6-bis(carbamoylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl 6a-amino-1,6-bis(carbamoylamino)-2,5-dimethylpyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate",NA,"CC1=C(C2(C(=C(N(C2(N1NC(=O)N)N)NC(=O)N)C)C(=O)OC)C(=O)OC)C(=O)OC","BAVFFNSQGULKJR-UHFFFAOYSA-N",364563,NA,"PDBC54539","630983","Present",NA,NA
+"54540","Trimethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trimethyl 6a-amino-2,5-dimethyl-1,6-bis(phenylcarbamoylamino)pyrrolo[2,3-b]pyrrole-3,3a,4-tricarboxylate",NA,"CC1=C(C2(C(=C(N(C2(N1NC(=O)NC3=CC=CC=C3)N)NC(=O)NC4=CC=CC=C4)C)C(=O)OC)C(=O)OC)C(=O)OC","RWPFDGVANIZAFV-UHFFFAOYSA-N",367829,NA,"PDBC54540","637904","Present",NA,NA
+"54541","Trimethyl trimethylsilylimidophosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl trimethylsilylimidophosphate",NA,"COP(=N[Si](C)(C)C)(OC)OC","IRIBUBGNSAFORU-UHFFFAOYSA-N",378143,NA,"PDBC54541","659945","Present",NA,NA
+"54542","Trimethyl((2,6,6-trimethyl-1-(trifluoromethyl)-2,4-cycloheptadien-1-yl)oxy)silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl((2,6,6-trimethyl-1-(trifluoromethyl)-2,4-cycloheptadien-1-yl)oxy)silane",NA,"CC1=CC=CC(CC1(C(F)(F)F)O[Si](C)(C)C)(C)C","ZRFIJUMVILZIJB-UHFFFAOYSA-N",388324,NA,"PDBC54542","683059","Present",NA,NA
+"54543","Trimethyl(1,1,5-tris(phenylthio)pentyl)silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl(1,1,5-tris(phenylthio)pentyl)silane",NA,"C[Si](C)(C)C(CCCCSC1=CC=CC=C1)(SC2=CC=CC=C2)SC3=CC=CC=C3","WDBHRWGFCMYBIP-UHFFFAOYSA-N",361781,NA,"PDBC54543","625048","Present",NA,NA
+"54544","Trimethyl(2-(phenylthio)-1,3-dithian-2-yl)silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl(2-(phenylthio)-1,3-dithian-2-yl)silane",NA,"C[Si](C)(C)C1(SCCCS1)SC2=CC=CC=C2","KVQXXJUSYCCTNM-UHFFFAOYSA-N",361793,NA,"PDBC54544","625065","Present",NA,NA
+"54545","Trimethyl(tris(phenylthio)methyl)silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl(tris(phenylthio)methyl)silane",NA,"C[Si](C)(C)C(SC1=CC=CC=C1)(SC2=CC=CC=C2)SC3=CC=CC=C3","VQHVLUMAABPAGI-UHFFFAOYSA-N",361782,NA,"PDBC54545","625049","Present",NA,NA
+"54546","Trimethyl-[(2-oxocyclododecyl)methyl]azanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[(2-oxocyclododecyl)methyl]azanium;iodide",NA,"C[N+](C)(C)CC1CCCCCCCCCCC1=O.[I-]","HJOZVQPHOVAJMR-UHFFFAOYSA-M",378067,NA,"PDBC54546","659758","Present",NA,NA
+"54547","Trimethyl-[(2S,7R)-5-(4-methylphenyl)sulfonyl-4-tetracyclo[6.2.2.13,6.02,7]trideca-4,9-dienyl]silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[(2S,7R)-5-(4-methylphenyl)sulfonyl-4-tetracyclo[6.2.2.13,6.02,7]trideca-4,9-dienyl]silane",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(C3CC2C4C3C5CCC4C=C5)[Si](C)(C)C","IDAHXVZBZBBMOT-AKYPRQFMSA-N",400847,NA,"PDBC54547","713372","Present",NA,NA
+"54548","Trimethyl-[(3-oxo-1,2-dihydroinden-2-yl)methyl]azanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[(3-oxo-1,2-dihydroinden-2-yl)methyl]azanium;iodide",NA,"C[N+](C)(C)CC1CC2=CC=CC=C2C1=O.[I-]","RDFFKXIFPGTXCQ-UHFFFAOYSA-M",378645,NA,"PDBC54548","661442","Present",NA,NA
+"54549","Trimethyl-[(5-oxocyclopenten-1-yl)-phenylmethyl]azanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[(5-oxocyclopenten-1-yl)-phenylmethyl]azanium",NA,"C[N+](C)(C)C(C1=CCCC1=O)C2=CC=CC=C2","UNGBEOHVVJLIAD-UHFFFAOYSA-N",420292,NA,"PDBC54549","122592","Present",NA,NA
+"54550","Trimethyl-[(E)-5-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)pent-2-en-3-yl]silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617623///1H-Pyrido[3,4-b]indole, 2,3,4,9-tetrahydro- 1-[3-(trimet...",NA,"CC=C(CCC1C2=C(CCN1)C3=CC=CC=C3N2)[Si](C)(C)C","MWWNDHSQBOESHH-LHHJGKSTSA-N",5351349,NA,"PDBC54550","617623///619165","Present",NA,NA
+"54551","Trimethyl-[(E)-[1-phenyl-1-(1,2,3-triphenylcycloprop-2-en-1-yl)propan-2-ylidene]amino]azanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[(E)-[1-phenyl-1-(1,2,3-triphenylcycloprop-2-en-1-yl)propan-2-ylidene]amino]azanium;iodide",NA,"CC(=N[N+](C)(C)C)C(C1=CC=CC=C1)C2(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[I-]","STKRXTNAEXGMMC-HXAPHQIMSA-M",13244383,NA,"PDBC54551","620127","Present",NA,NA
+"54552","Trimethyl-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-2-en-2-yl]silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[(Z)-3-methyl-5-(oxan-2-yloxy)pent-2-en-2-yl]silane",NA,"CC(=C(C)[Si](C)(C)C)CCOC1CCCCO1","SIOSZXOSJSIFQC-SEYXRHQNSA-N",5386732,NA,"PDBC54552","617374","Present",NA,NA
+"54553","Trimethyl-[1-(5-methyl-2-thienyl)triazol-4-yl]silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[1-(5-methyl-2-thienyl)triazol-4-yl]silane",NA,"CC1=CC=C(S1)N2C=C(N=N2)[Si](C)(C)C","RJNPFSLAGKGXCS-UHFFFAOYSA-N",389380,NA,"PDBC54553","685428","Present",NA,NA
+"54554","Trimethyl-[2-[(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)amino]ethyl]azanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[2-[(1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)amino]ethyl]azanium;iodide",NA,"C[N+]1(CCCC2=CC=CC=C21)NCC[N+](C)(C)C.[I-]","QOECGMXPDUUXOR-UHFFFAOYSA-M",5351688,NA,"PDBC54554","18613","Present",NA,NA
+"54555","Trimethyl-[2-[(2E)-2-[1-[4-methyl-2-(3-pyridyl)thiazol-5-yl]ethylidene]hydrazino]-2-oxo-ethyl]ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[2-[(2E)-2-[1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethylidene]hydrazinyl]-2-oxoethyl]azanium;chloride",NA,"CC1=C(SC(=N1)C2=CN=CC=C2)C(=NNC(=O)C[N+](C)(C)C)C.[Cl-]","ILHRRGFVFQFINT-NNTHFVATSA-N",9574384,NA,"PDBC54555","641855","Present",NA,NA
+"54556","Trimethyl-[2-[[2-(2-octadecoxyphenyl)acetyl]amino]ethyl]azanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N,N-trimethyl-2-(2-(2-(octadecyloxy)phenyl)acetamido)e...",NA,"CCCCCCCCCCCCCCCCCCOC1=CC=CC=C1CC(=O)NCC[N+](C)(C)C","IHTGCFXTOFRSLW-UHFFFAOYSA-O",155815849,NA,"PDBC54556","798183","Present",NA,NA
+"54557","Trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[2-[pyridin-2-yl(thiophen-2-ylmethyl)amino]ethyl]azanium;iodide",NA,"C[N+](C)(C)CCN(CC1=CC=CS1)C2=CC=CC=N2.[I-]","UXIONEDRDIBJNE-UHFFFAOYSA-M",5351669,NA,"PDBC54557","16116","Present",NA,NA
+"54558","Trimethyl-[2-methyl-4-(trimethylazaniumyl)pentan-2-yl]azanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[2-methyl-4-(trimethylazaniumyl)pentan-2-yl]azanium;iodide",NA,"CC(CC(C)(C)[N+](C)(C)C)[N+](C)(C)C.[I-]","RYCOLUFDCGIKQM-UHFFFAOYSA-M",377587,NA,"PDBC54558","659155","Present",NA,NA
+"54559","Trimethyl-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[2-oxo-2-[(2E)-2-(pyridin-4-ylmethylidene)hydrazinyl]ethyl]azanium;chloride",NA,"C[N+](C)(C)CC(=O)NN=CC1=CC=NC=C1.[Cl-]","VRYSCCNPRKDFBN-UHFFFAOYSA-N",5351852,NA,"PDBC54559","64617","Present",NA,NA
+"54560","Trimethyl-[2-oxo-2-[2-[2,2,4,4-tetramethyl-3-[[2-(trimethylammonio)acetyl]hydrazono]cyclobutylidene]hydrazino]ethyl]ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[2-oxo-2-[2-[2,2,4,4-tetramethyl-3-[[2-(trimethylazaniumyl)acetyl]hydrazinylidene]cyclobutylidene]hydrazinyl]ethyl]azanium;chloride",NA,"CC1(C(=NNC(=O)C[N+](C)(C)C)C(C1=NNC(=O)C[N+](C)(C)C)(C)C)C.[Cl-]","LJQAWUFCHFKQTA-UHFFFAOYSA-O",369740,NA,"PDBC54560","641834","Present",NA,NA
+"54561","Trimethyl-[3-(5-methyl-2-thienyl)triazol-4-yl]silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[3-(5-methyl-2-thienyl)triazol-4-yl]silane",NA,"CC1=CC=C(S1)N2C(=CN=N2)[Si](C)(C)C","KKXODOBFEAPFFN-UHFFFAOYSA-N",389379,NA,"PDBC54561","685427","Present",NA,NA
+"54562","Trimethyl-[3-oxo-5-(trimethylazaniumyl)pentyl]azanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[3-oxo-5-(trimethylazaniumyl)pentyl]azanium;iodide",NA,"C[N+](C)(C)CCC(=O)CC[N+](C)(C)C.[I-]","FZNBNWMHAXYSDE-UHFFFAOYSA-M",365278,NA,"PDBC54562","632835","Present",NA,NA
+"54563","Trimethyl-[5-(trimethylazaniumyl)-3-tricyclo[5.4.0.02,6]undeca-1(11),7,9-trienyl]azanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[5-(trimethylazaniumyl)-3-tricyclo[5.4.0.02,6]undeca-1(11),7,9-trienyl]azanium;iodide",NA,"C[N+](C)(C)C1CC(C2C1C3=CC=CC=C23)[N+](C)(C)C.[I-]","HQBVBOUXZXPUMH-UHFFFAOYSA-M",363265,NA,"PDBC54563","628017","Present",NA,NA
+"54564","Trimethyl-[5-[1',3,3'-tris(5-trimethylsilylthiophen-2-yl)-5,5'-spirobi[4,6-dihydrosilolo[3,4-c]thiophene]-1-yl]thiophen-2-yl]silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[5-[1',3,3'-tris(5-trimethylsilylthiophen-2-yl)-5,5'-spirobi[4,6-dihydrosilolo[3,4-c]thiophene]-1-yl]thiophen-2-yl]silane",NA,"C[Si](C)(C)C1=CC=C(S1)C2=C3C[Si]4(CC3=C(S2)C5=CC=C(S5)[Si](C)(C)C)CC6=C(SC(=C6C4)C7=CC=C(S7)[Si](C)(C)C)C8=CC=C(S8)[Si](C)(C)C","AAAUEZCHNAHQQV-UHFFFAOYSA-N",371881,NA,"PDBC54564","646447","Present",NA,NA
+"54565","Trimethyl-[9-(oxan-2-yl)purin-6-yl]azanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethyl-[9-(oxan-2-yl)purin-6-yl]azanium;chloride",NA,"C[N+](C)(C)C1=NC=NC2=C1N=CN2C3CCCCO3.[Cl-]","SENBGVDWOFLXLM-UHFFFAOYSA-M",5351827,NA,"PDBC54565","53346","Present",NA,NA
+"54566","Trimethylamine-bromocarboxyborane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethylamine-bromocarboxyborane",NA,NA,NA,NA,NA,"PDBC54566","680211","Present",NA,NA
+"54567","Trimethylgermyl 2-acetoxy-2-phenyl-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethylgermyl 2-acetoxy-2-phenyl-acetate",NA,"CC(=O)OC(C1=CC=CC=C1)C(=O)O[Ge](C)(C)C","XGVJPIKLCWNRLA-UHFFFAOYSA-N",16683231,NA,"PDBC54567","645573","Present",NA,NA
+"54568","Trimethylphenylphosphonium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT024258",NA,"C[P+](C)(C)C1=CC=CC=C1.[I-]","XQLLUORERPKHEM-UHFFFAOYSA-M",357585,NA,"PDBC54568","617062","Present",NA,NA
+"54569","Trimethylstannyl 2-acetoxy-2-phenyl-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trimethylstannyl 2-acetoxy-2-phenyl-acetate",NA,"CC(=O)OC(C1=CC=CC=C1)C(=O)O[Sn](C)(C)C","ICDJRTYROVFNKZ-UHFFFAOYSA-M",16683227,NA,"PDBC54569","645569","Present",NA,NA
+"54570","Trimetrexate glucuronic acid salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TRIMETREXATE GLUCURONATE",NA,"CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)C(C(C(C(C(=O)O)O)O)O)O","ZCJXQWYMBJYJNB-UHFFFAOYSA-N",336805,NA,"PDBC54570","352122","Present",NA,NA
+"54571","Trioxidanium;benzene;ruthenium(2+);sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trioxidanium;benzene;ruthenium(2+);sulfate",NA,"C1=CC=CC=C1.[OH3+].[OH3+].[OH3+].[O-]S(=O)(=O)[O-].[Ru+2]","QYNNJDNUKMUILL-UHFFFAOYSA-O",54608743,NA,"PDBC54571","655908","Present",NA,NA
+"54572","Trioxidanium;nickel(3+);2-(2-oxidoanilino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trioxidanium;nickel(3+);2-(2-oxidoanilino)benzoate",NA,"C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2[O-].[OH3+].[OH3+].[OH3+].[Ni+3]","AJIBXJLCHMPMHP-UHFFFAOYSA-O",24202389,NA,"PDBC54572","646294","Present",NA,NA
+"54573","Triphenyl((2-((triphenylphosphoranylidene)amino)phenyl)imino)phosphorane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N'-(1,2-Phenylene)bis(triphenylphosphine imide)",NA,"C1=CC=C(C=C1)P(=NC2=CC=CC=C2N=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","LPPJVOFEDUXLAC-UHFFFAOYSA-N",361870,NA,"PDBC54573","625192","Present",NA,NA
+"54574","Triphenyl(3,4,5-trimethoxybenzyl)phosphonium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,4,5-Trimethoxybenzyltriphenylphosphonium bromide, comp...",NA,"COC1=CC(=CC(=C1OC)OC)C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","DFQCYFWOOKHMQB-UHFFFAOYSA-M",370917,NA,"PDBC54574","644719","Present",NA,NA
+"54575","Triphenyl(6-triphenylphosphaniumylhexyl)phosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670163",NA,"C1=CC=C(C=C1)[P+](CCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","IBFQSXWPFNRAEW-UHFFFAOYSA-M",382554,NA,"PDBC54575","670163","Present",NA,NA
+"54576","Triphenyl(8-quinolylsulfanyl)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-628586",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)SC4=CC=CC5=C4N=CC=C5","QBPAGYNLQBGOOV-UHFFFAOYSA-M",363590,NA,"PDBC54576","628586","Present",NA,NA
+"54577","Triphenyl(propa-1,2-dienyl)stannane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triphenyl(propa-1,2-dienyl)stannane",NA,"C=C=C[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3","AFCVDCUIAHTKBW-UHFFFAOYSA-N",289815,NA,"PDBC54577","152093","Present",NA,NA
+"54578","Triphenyl(thiadiazol-4-ylmethyl)phosphanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC635568",NA,"C1=CC=C(C=C1)[P+](CC2=CSN=N2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]","HLJCGDFZHKLDJV-UHFFFAOYSA-M",366795,NA,"PDBC54578","635568","Present",NA,NA
+"54579","Triphenyl-(4-triphenylphosphaniumylnaphthalen-1-yl)phosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665685",NA,"C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C5=CC=CC=C54)[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Br-]","WPYTWDVERZWZMD-UHFFFAOYSA-M",380211,NA,"PDBC54579","665685","Present",NA,NA
+"54580","Triphenyl-(4-triphenylphosphaniumylphenyl)phosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665728",NA,"C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)[P+](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]","QQDIRYKTVLPBCY-UHFFFAOYSA-M",380248,NA,"PDBC54580","665728","Present",NA,NA
+"54581","Triphenyl-[[(1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triphenyl-[[(1S,3S,4R,7R,10S)-3-phenyl-2,5-diazatricyclo[5.2.1.04,10]decan-1-yl]methoxy]silane",NA,"C1CC2(C3C1CNC3C(N2)C4=CC=CC=C4)CO[Si](C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","SQYPOGKJANYTJF-RTQLSXLOSA-N",401750,NA,"PDBC54581","715480","Present",NA,NA
+"54582","Triphenyl-[[2-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Xylenebis-(triphenylphosphonium bromide)",NA,"C1=CC=C(C=C1)[P+](CC2=CC=CC=C2C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Br-]","LJOZNYFRWWZJIL-UHFFFAOYSA-M",380170,NA,"PDBC54582","665614","Present",NA,NA
+"54583","Triphenyl-diphenylmethyl-phosphonium-bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonium, (diphenylmethyl)triphenyl-, bromide",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Br-]","FTSCODUNODCCCT-UHFFFAOYSA-M",522488,NA,"PDBC54583","176878","Present",NA,NA
+"54584","Triphenylene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isochrysene",NA,"C1=CC=C2C(=C1)C3=CC=CC=C3C4=CC=CC=C24","SLGBZMMZGDRARJ-UHFFFAOYSA-N",9170,NA,"PDBC54584","57455","Present",NA,NA
+"54585","Triphenylphosphonium cyclopentadienylide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624854",NA,"C1=CC=C(C=C1)P(=C2C=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4","MXGWLWRROFTJDZ-UHFFFAOYSA-N",122392,NA,"PDBC54585","624854","Present",NA,NA
+"54586","Triphenylplumbanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triphenylplumbanol",NA,"C1=CC=C(C=C1)[Pb](C2=CC=CC=C2)C3=CC=CC=C3.O","NVXIRLZJUXDBQO-UHFFFAOYSA-N",6328765,NA,"PDBC54586","629928","Present",NA,NA
+"54587","Triphenylplumbyl 2-acetamido-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triphenylplumbyl 2-acetamido-3-phenyl-propanoate",NA,NA,NA,NA,NA,"PDBC54587","628691","Present",NA,NA
+"54588","Triphenylplumbyl 2-benzamido-4-methyl-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triphenylplumbyl 2-benzamido-4-methyl-pentanoate",NA,NA,NA,NA,NA,"PDBC54588","628689","Present",NA,NA
+"54589","Triphenylplumbyl 2-benzamidoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triphenylplumbyl 2-benzamidoacetate",NA,NA,NA,NA,NA,"PDBC54589","628688","Present",NA,NA
+"54590","Triphenylplumbyl 2-formamido-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triphenylplumbyl 2-formamido-3-phenyl-propanoate",NA,NA,NA,NA,NA,"PDBC54590","628690","Present",NA,NA
+"54591","Triphenylplumbyl 2-phenylsulfanylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triphenylplumbyl 2-phenylsulfanylacetate",NA,NA,NA,NA,NA,"PDBC54591","628693","Present",NA,NA
+"54592","Triphenylplumbyl 4-aminobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triphenylplumbyl 4-aminobenzoate",NA,NA,NA,NA,NA,"PDBC54592","628692","Present",NA,NA
+"54593","Triphenyltin chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC1214///NSC43675",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Cl","NJVOZLGKTAPUTQ-UHFFFAOYSA-M",12540,NA,"PDBC54593","1214///43675","Present",NA,NA
+"54594","Triptolide 14-tert-butyl carbonate, tert-Butyl (3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-6a-iso-propyl-8b-methyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-6-yl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triptolide 14-tert-butyl carbonate, tert-Butyl (3bS,4aS,...",NA,"CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2OC(=O)OC(C)(C)C)O7)COC6=O)C","LVHFSMVMWKBUOU-BWRTYORGSA-N",59168961,NA,"PDBC54594","751641","Present",NA,NA
+"54595","Triptolide N,N-dimethylacetate, (3bS,4aS,5aR,6R,6aS,7aS,7bS,8aS,8bS)-6a-isopropyl-8b-methyl-1-oxo-1,3,3b,4,4a,6,6a,7a,7b,8b,9,10-dodecahydrotrisoxireno[4b,5:6,7:8a,9]phenanthro[1,2-c]furan-6-yl N,N-dimethylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triptolide N,N-dimethylacetate, (3bS,4aS,5aR,6R,6aS,7aS,...",NA,"CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2OC(=O)CN(C)C)O7)COC6=O)C","NFUVUOYLXYYFGJ-NJXSKGHCSA-N",15867606,NA,"PDBC54595","751642","Present",NA,NA
+"54596","Triptonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triptonide",NA,"CC(C)C12C(O1)C3C4(O3)C5(CCC6=C(C5CC7C4(C2=O)O7)COC6=O)C","SWOVVKGLGOOUKI-ZHGGVEMFSA-N",65411,NA,"PDBC54596","165677","Present",NA,NA
+"54597","Tris(1,10,12-tetraoxo-1,12-diphenyldodecanato)di-[neodymium(III)]-trihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(1,3,10,12-tetraoxo-1,12-diphenyldodecanato)di- [neo...",NA,"C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].[Nd+3].[Nd+3]","FDWIWARMDOEHHO-MICDYHQMSA-H",11979347,NA,"PDBC54597","647050","Present",NA,NA
+"54598","Tris(1,10,12-tetraoxo-1,12-diphenyldodecanato)di[lanthane (III)]-tetrahydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(1,3,10,12-tetraoxo-1,12-diphenyldodecanato)di[lanth...",NA,"C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].[La+3].[La+3]","KYXVMPNDGCSICH-MICDYHQMSA-H",54601700,NA,"PDBC54598","647049","Present",NA,NA
+"54599","Tris(1,10,12-tetraoxo-1,12-diphenyldodecanato)di[yttrium (III)]-hexahydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(1,3,10,12-tetraoxo-1,12-diphenyldodecanato)di[yttri...",NA,"C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].C1=CC=C(C=C1)C(=CC(=O)CCCCCCC(=O)C=C(C2=CC=CC=C2)[O-])[O-].[Y+3].[Y+3]","YLPUSMHSGOXDNM-MICDYHQMSA-H",54608752,NA,"PDBC54599","647047","Present",NA,NA
+"54600","Tris(1,10-phenanthroline)cerium(III)-trithiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(1,10-phenanthroline)cerium(III)-trithiocyanate",NA,"C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(#N)[S-].[Ce+3]","PMFAKUXJOOCVRI-UHFFFAOYSA-M",24202209,NA,"PDBC54600","632734","Present",NA,NA
+"54601","Tris(1,10-phenanthroline)lanthanum(III)-trithiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(1,10-phenanthroline)lanthanum(III)-trithiocyanate",NA,"C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(#N)[S-].[La+3]","GFNHYZAZHNTKIE-UHFFFAOYSA-M",24202211,NA,"PDBC54601","632737","Present",NA,NA
+"54602","Tris(1,10-phenanthroline)neodymium(III)-trithiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(1,10-phenanthroline)neodymium(III)-trithiocyanate",NA,"C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.C(#N)[S-].[Nd+3]","YJJKUZBNAYVIJQ-UHFFFAOYSA-M",24202207,NA,"PDBC54602","632730","Present",NA,NA
+"54603","Tris(1,3-dionata)gallium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(1,3-diphenylpropane-1,3-dionata)gallium(III)",NA,"C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CC=CC=C2.[Ga+3]","NMCLHOAZPRPGDQ-UHFFFAOYSA-N",11979319,NA,"PDBC54603","632573","Present",NA,NA
+"54604","Tris(1-methyl-1H-imidazole-2-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SJL 494",NA,"CN1C=CN=C1C(C2=NC=CN2C)(C3=NC=CN3C)O","AZEWKNKNIMZFMA-UHFFFAOYSA-N",360178,NA,"PDBC54604","622148","Present",NA,NA
+"54605","Tris(1-phenyl-1,3-butanedionato)gallium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(1-phenyl-1,3-butanedionato)gallium(III)",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ga+3]","XWCBTAFZXHQKCO-UHFFFAOYSA-N",11979318,NA,"PDBC54605","632570","Present",NA,NA
+"54606","Tris(1-phenyl-1,3-butanedionato)indium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(1-phenyl-1,3-butanedionato)indium(III)",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[In+3]","DYRYYKACWQJGJV-UHFFFAOYSA-N",11979320,NA,"PDBC54606","632582","Present",NA,NA
+"54607","Tris(2,2'-bipyridyle)cerium(III)-trithiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(2,2'-bipyridyle)cerium(III)-trithiocyanate",NA,"C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(#N)[S-].[Ce+3]","YGSGNJSGQXMUHB-UHFFFAOYSA-M",24202208,NA,"PDBC54607","632733","Present",NA,NA
+"54608","Tris(2,2'-bipyridyle)lanthanum(III)-trithiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(2,2'-bipyridyle)lanthanum(III)-trithiocyanate",NA,"C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(#N)[S-].[La+3]","TZQMNHJTGUKMRA-UHFFFAOYSA-M",24202210,NA,"PDBC54608","632736","Present",NA,NA
+"54609","Tris(2,2'-bipyridyle)neodymium(III)-trithiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(2,2'-bipyridyle)neodymium(III)- trithiocyanate",NA,"C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.C(#N)[S-].[Nd+3]","CRPVJUULEBZHOL-UHFFFAOYSA-M",24202206,NA,"PDBC54609","632729","Present",NA,NA
+"54610","Tris(2-cyanoethyl)phosphine gold 2,4,6 tetra-O-acetyl-1-seleno-D-glucopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(2-cyanoethyl)phosphine gold 2,3,4,6 tetra-O- acetyl...",NA,"CC(=O)OCC1C(C(C(C(O1)[Se-])OC(=O)C)OC(=O)C)OC(=O)C.C(C[PH+](CCC#N)CCC#N)C#N.[Au+]","UCZOLWBONBJJMU-UHFFFAOYSA-N",6330648,NA,"PDBC54610","606488","Present",NA,NA
+"54611","Tris(2-methylchinoline-8-olato)indium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(2-methylchinoline-8-olato)indium(III)",NA,NA,NA,NA,NA,"PDBC54611","633561","Present",NA,NA
+"54612","Tris(2-oxo-2,3-dihydrobenzoxazole-3-yl)phosphine oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(2-oxo-2,3-dihydrobenzoxazole-3-yl)phosphine oxide",NA,"C1=CC=C2C(=C1)N(C(=O)O2)P(=O)(N3C4=CC=CC=C4OC3=O)N5C6=CC=CC=C6OC5=O","POSKSJRWFMXQGI-UHFFFAOYSA-N",359349,NA,"PDBC54612","620148","Present",NA,NA
+"54613","Tris(4,5-benztropolonato)bismuth(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(4,5-benztropolonato)bismuth(III)",NA,NA,NA,NA,NA,"PDBC54613","634367","Present",NA,NA
+"54614","Tris(4-chloro-2-hydroxypyridinato-O-)indium(III)-trihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(4-chloro-2-hydroxypyridinato-O-)indium(III)- trihyd...",NA,"C1=CC(=NC=C1Cl)O[In](OC2=NC=C(C=C2)Cl)OC3=NC=C(C=C3)Cl.Cl","YFCMUPBQLWLGFC-UHFFFAOYSA-K",16683561,NA,"PDBC54614","632810","Present",NA,NA
+"54615","Tris(4-methylimidazolium)hexachlororuthenate(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(4-methylimidazolium)hexachlororuthenate(III)",NA,NA,NA,NA,NA,"PDBC54615","632619","Present",NA,NA
+"54616","Tris(4-methylphenyl)-[(4-nitrophenyl)methyl]phosphanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC116689",NA,"CC1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)[N+](=O)[O-])(C3=CC=C(C=C3)C)C4=CC=C(C=C4)C.[Cl-]","VFLPFMOEFJTYDP-UHFFFAOYSA-M",24190918,NA,"PDBC54616","116689","Present",NA,NA
+"54617","Tris(4-methylphenyl)sulfanium Chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sulfonium, tri-p-tolyl-, chloride",NA,"CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)C.[Cl-]","GDXHNOZSKQKGCT-UHFFFAOYSA-M",5351245,NA,"PDBC54617","157930","Present",NA,NA
+"54618","Tris(4-methyltropolonato)bismuth(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(4-methyltropolonato)bismuth(III)",NA,NA,NA,NA,NA,"PDBC54618","634370","Present",NA,NA
+"54619","Tris(4-tert-butyl-2,6-dimethoxyphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenemethanol, 4-(1,1-dimethylethyl)-.alpha.,.alpha.-b...",NA,"CC(C)(C)C1=CC(=C(C(=C1)OC)C(C2=C(C=C(C=C2OC)C(C)(C)C)OC)(C3=C(C=C(C=C3OC)C(C)(C)C)OC)O)OC","ZFRIXUZTJBWSAG-UHFFFAOYSA-N",326946,NA,"PDBC54619","299863","Present",NA,NA
+"54620","Tris(4-tert-butylphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(4-tert-butylphenyl)methanol",NA,"CC(C)(C)C1=CC=C(C=C1)C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)O","SSYBALDZBDEWMS-UHFFFAOYSA-N",357625,NA,"PDBC54620","617149","Present",NA,NA
+"54621","Tris(5,7-dibrominechinoline-8-olato)indium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(5,7-dibrominechinoline-8-olato)indium(III)",NA,NA,NA,NA,NA,"PDBC54621","633562","Present",NA,NA
+"54622","Tris(5-(bis(4-tert-butylphenyl)(methoxy)methyl)-2,4-dimethylphenyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(5-(bis(4-tert-butylphenyl)(methoxy)methyl)-2,4-dimethylphenyl)methanol",NA,"CC1=CC(=C(C=C1C(C2=CC=C(C=C2)C(C)(C)C)(C3=CC=C(C=C3)C(C)(C)C)OC)C(C4=C(C=C(C(=C4)C(C5=CC=C(C=C5)C(C)(C)C)(C6=CC=C(C=C6)C(C)(C)C)OC)C)C)(C7=C(C=C(C(=C7)C(C8=CC=C(C=C8)C(C)(C)C)(C9=CC=C(C=C9)C(C)(C)C)OC)C)C)O)C","NXXJAMNTKFGWMI-UHFFFAOYSA-N",388205,NA,"PDBC54622","682797","Present",NA,NA
+"54623","Tris(5-nitrotropolonato)bismuth(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(5-nitrotropolonato)bismuth(III)",NA,NA,NA,NA,NA,"PDBC54623","634365","Present",NA,NA
+"54624","Tris(N,N-diethyldithiocarbonato)(S1,S2)gallium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(N,N-diethyldithiocarbonato)(S1,S2)gallium(III)",NA,NA,NA,NA,NA,"PDBC54624","647062","Present",NA,NA
+"54625","Tris(acetylthio)methane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(acetylthio)methane",NA,"CC(=O)SC(SC(=O)C)SC(=O)C","SRUXVGKEZVXLRV-UHFFFAOYSA-N",367808,NA,"PDBC54625","637833","Present",NA,NA
+"54626","Tris(phenylazotropolonato)bismuth(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(phenylazotropolonato)bismuth(III)",NA,NA,NA,NA,NA,"PDBC54626","634371","Present",NA,NA
+"54627","Tris(pyridiniumhydrochloride-2-olato)indium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(pyridiniumhydrochloride-2-olato)indium(III)",NA,NA,NA,NA,NA,"PDBC54627","639606","Present",NA,NA
+"54628","Tris(tropolonato)bismuth(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(tropolonato)bismuth(III)",NA,NA,NA,NA,NA,"PDBC54628","634366","Present",NA,NA
+"54629","Tris(tropolonato)cerium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(tropolonato)cerium(III)",NA,"C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Ce+3]","UEXHJEIQHFUDGH-UHFFFAOYSA-K",366261,NA,"PDBC54629","634609","Present",NA,NA
+"54630","Tris(tropolonato)dysprosium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(tropolonato)dysprosium(III)",NA,"C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Dy+3]","STKVNGGITUKWHE-UHFFFAOYSA-K",366260,NA,"PDBC54630","634608","Present",NA,NA
+"54631","Tris(tropolonato)europium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(tropolonato)europium(III)",NA,"C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Eu+3]","WQHWOXKKEDWRHR-UHFFFAOYSA-K",366259,NA,"PDBC54631","634607","Present",NA,NA
+"54632","Tris(tropolonato)lanthane(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(tropolonato)lanthane(III)",NA,"C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[La+3]","FOJJQSCAROIDAH-UHFFFAOYSA-K",366257,NA,"PDBC54632","634605","Present",NA,NA
+"54633","Tris(tropolonato)neodymium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(tropolonato)neodymium(III)",NA,"C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Nd+3]","ZXGROXUIPHHQOO-UHFFFAOYSA-K",366258,NA,"PDBC54633","634606","Present",NA,NA
+"54634","Tris(tropolonato)samarium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris(tropolonato)samarium(III)",NA,"C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].C1=CC=C(C(=O)C=C1)[O-].[Sm+3]","YEVPHOPTLGNISK-UHFFFAOYSA-K",366262,NA,"PDBC54634","634610","Present",NA,NA
+"54635","Tris-2-(t-butyl)imidazoliumhexachlororuthenate(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris-2-(t-butyl)imidazoliumhexachlororuthenate(III)",NA,NA,NA,NA,NA,"PDBC54635","630118","Present",NA,NA
+"54636","Tris-N,N-{[3-(3-hydroxy-2-oxo-2H-pyridin-1-yl)-propyl]}-amine tetrahydrobromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris-N,N,N-{[3-(3-hydroxy-2-oxo-2H-pyridin-1-yl)-propyl]...",NA,"C1=CN(C(=O)C(=C1)O)CCCN(CCCN2C=CC=C(C2=O)O)CCN3C=CC=C(C3=O)O.Br","KELLCLPZRLBAJW-UHFFFAOYSA-N",54613677,NA,"PDBC54636","748389","Present",NA,NA
+"54637","Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]silicon",NA,"C1=CC(=CC(=C1)C(F)(F)F)C(=O)C[Si](CC(=O)C2=CC(=CC=C2)C(F)(F)F)CC(=O)C3=CC(=CC=C3)C(F)(F)F","FSMCHLJQESOTLY-UHFFFAOYSA-N",6327809,NA,"PDBC54637","55879","Present",NA,NA
+"54638","Tris[phenyl(2-pyridyl)methaneoximato-N,N']trichloro-dysprosium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris[phenyl(2-pyridyl)methaneoximato-N,N']trichloro- dys...",NA,"C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[Dy+3]","IAIRHMQMFYDDRI-CNXWMDQBSA-J",54600872,NA,"PDBC54638","647052","Present",NA,NA
+"54639","Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro-cerium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro- c...",NA,"C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[Ce+3]","FJWDGMFMEXYQCF-CNXWMDQBSA-J",54608591,NA,"PDBC54639","647056","Present",NA,NA
+"54640","Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro-gadolinium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro- g...",NA,"C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[Gd+3]","RUPFHXNHRGTEEE-CNXWMDQBSA-J",54608542,NA,"PDBC54640","647053","Present",NA,NA
+"54641","Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro-lanthane(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro- l...",NA,"C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[La+3]","INKJKNAXWHHJCY-CNXWMDQBSA-J",54608753,NA,"PDBC54641","647057","Present",NA,NA
+"54642","Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro-neodymium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro- n...",NA,"C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[Nd+3]","KAYIXNRUNOXYJQ-CNXWMDQBSA-J",54604763,NA,"PDBC54642","647054","Present",NA,NA
+"54643","Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro-samarium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tris[phenyl(2-pyridyl)methanoneoximato-N,N']trichloro- s...",NA,"C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.C1=CC=C(C=C1)C(=N[O-])C2=CC=CC=N2.[Cl-].[Sm+3]","DFHCFTUTOLXLBS-CNXWMDQBSA-J",54608120,NA,"PDBC54643","647055","Present",NA,NA
+"54644","Triscutin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triscutin B",NA,"CC1=C2CCC3C(C2=CC4=C1OC5C(O4)C6=C(C7=C(C=C6C8(C5C9(CCC1(CCC(CC1C9(CC8)C)(C)C(=O)OC)C)C)C)OC1(C(=O)C=C2C(=CC=C4C2(CCC2(C4(CCC4(C2CC(CC4)(C)C(=O)OC)C)C)C)C)C1(O7)C)O)C)(CCC1(C3(CCC2(C1C(CCC2)(C)C(=O)OC)C)C)C)C","VFKOSISZXZVZSP-XQKOXICPSA-N",402812,NA,"PDBC54644","717063","Present",NA,NA
+"54645","Trisoxinatoindium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trisoxinatoindium(III)",NA,NA,NA,NA,NA,"PDBC54645","632581","Present",NA,NA
+"54646","Trityl azide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trityl azide",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N=[N+]=[N-]","OZHQKHFCDZKWFC-UHFFFAOYSA-N",84340,NA,"PDBC54646","87890","Present",NA,NA
+"54647","Tritylcysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trityl cysteine",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N","DLMYFMLKORXJPO-UHFFFAOYSA-N",256411,NA,"PDBC54647","83265","Present",NA,NA
+"54648","Tropodithietic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tropodithietic Acid",NA,"C1=CC(=O)C(=C2C(=C1)SS2)C(=O)O","BLFCMITWMARUSM-UHFFFAOYSA-N",44632924,NA,"PDBC54648","781618","Present",NA,NA
+"54649","Tropolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Purpurocatechol",NA,"C1=CC=C(C(=O)C=C1)O","MDYOLVRUBBJPFM-UHFFFAOYSA-N",10789,NA,"PDBC54649","89303","Present",NA,NA
+"54650","Trunculin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trunculin A",NA,"CC1=CC2CC(=C(C(C2CC1)(C)C)CCC3(CCC(OO3)C(C)C(=O)O)C)C","BGJFOTULBGQTPJ-RFYXGITPSA-N",5459125,NA,"PDBC54650","625516","Present",NA,NA
+"54651","Trunculin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trunculin B",NA,"CC1=CC2CC3(C(CC(O3)C4(CCC(OO4)C(C)C(=O)O)C)C(C2CC1)(C)C)C","HVANTBKYRQAYSD-BMSPBDOPSA-N",6711390,NA,"PDBC54651","625517","Present",NA,NA
+"54652","Trunculin-A methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trunculin-A methyl ester",NA,"CC1=CC2CC(=C(C(C2CC1)(C)C)CCC3(CCC(OO3)C(C)C(=O)OC)C)C","SXELECXXRAJAPF-VDBUNRCNSA-N",54608546,NA,"PDBC54652","641035","Present",NA,NA
+"54653","Trunculin-B methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trunculin-B methyl ester",NA,"CC1=CC2CC3(C(CC(O3)C4(CCC(OO4)C(C)C(=O)OC)C)C(C2CC1)(C)C)C","PNOATZDSQDNWLZ-KHCMCSOFSA-N",6711772,NA,"PDBC54653","641036","Present",NA,NA
+"54654","Truxenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Truxenone",NA,"C1=CC=C2C(=C1)C3=C(C2=O)C4=C(C5=C3C(=O)C6=CC=CC=C65)C(=O)C7=CC=CC=C74","HSMDIUMGCHZHNI-UHFFFAOYSA-N",380507,NA,"PDBC54654","666122","Present",NA,NA
+"54655","Tryparsone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"novatoxyl",NA,"C1=CC(=CC=C1NCC(=O)N)[As](=O)(O)O.[Na+]","UEYIAABRKWHXJV-UHFFFAOYSA-N",20838042,NA,"PDBC54655","2050","Present",NA,NA
+"54656","Tryptazan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tryptazan",NA,"C1=CC2=C(NN=C2C=C1)CC(C(=O)O)N","IFEKQNAXDMZERW-UHFFFAOYSA-N",95318,NA,"PDBC54656","1460","Present",NA,NA
+"54657","Tsugicoline A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tsugicoline A",NA,"CC1(CC2C(C1)C3(C(C(=O)C3=C(C2O)CO)O)C)C","PAMKMSXEULAYKN-TZBUPLKMSA-N",391094,NA,"PDBC54657","689629","Present",NA,NA
+"54658","Tubacetine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tubacetine",NA,"CC(=O)OC(CCC1(C(O1)COC2=CC=C(C=C2)CCNC(=O)C3=CC=CC=C3)C)C(C)(C)OC(=O)C","NOVLFFMRABKFQF-UHFFFAOYSA-N",376181,NA,"PDBC54658","656714","Present",NA,NA
+"54659","Tubasenecine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tubasenecine",NA,"CC(=CC(=O)NCCC1=CC=C(C=C1)OCC2C(O2)(C)CCC(C(C)(C)OC(=O)C)OC(=O)C)C","KKYDPPWGPQTTKD-UHFFFAOYSA-N",376182,NA,"PDBC54659","656715","Present",NA,NA
+"54660","Tuberactinomycin (tuberactin)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tuberactinomycin (tuberactin)",NA,NA,NA,NA,NA,"PDBC54660","134054","Present",NA,NA
+"54661","Tubercidin 3', 5'-cyclic phosphate sesquihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TUBERCIDIN 3', 5'-CYCLIC PHOSPHATE SESQUIHYDRATE",NA,"C1C2C(C(C(O2)N3C=CC4=C(N=CN=C43)N)O)OP(=O)(O1)O","LCYHXWIEMRESTK-UHFFFAOYSA-N",271768,NA,"PDBC54661","115712","Present",NA,NA
+"54662","Tuberin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tuberin",NA,"COC1=CC=C(C=C1)C=CNC=O","SZCZSKMCTGEJKI-VOTSOKGWSA-N",5352006,NA,"PDBC54662","73832","Present",NA,NA
+"54663","Tuberine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tuberine",NA,"CC(=O)OC(C)(C)C1CCC(O1)(C)C(COC2=CC=C(C=C2)CCNC(=O)C3=CC=CC=C3)O","GFABGVSRKCKLKA-UHFFFAOYSA-N",376183,NA,"PDBC54663","656716","Present",NA,NA
+"54664","Tubulosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Marckine",NA,"CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC","JRVWIILYWSBUMC-PRUVNFMMSA-N",72341,NA,"PDBC54664","131547","Present",NA,NA
+"54665","Tubulysin M",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC784013",NA,"CCC(C)C(C(=O)N(C)C(CC(C1=NC(=CS1)C(=O)NC(CC2=CC=CC=C2)CC(C)C(=O)O)OC(=O)C)C(C)C)NC(=O)C3CCCCN3C","POBZYODNVHQLFG-ZRBKHQLFSA-N",23634457,NA,"PDBC54665","784013","Present",NA,NA
+"54666","Tulobuterol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TULOBUTEROL",NA,"CC(C)(C)NCC(C1=CC=CC=C1Cl)O.Cl","RSLNRVYIRDVHLY-UHFFFAOYSA-N",5702285,NA,"PDBC54666","758643","Present",NA,NA
+"54667","Tunicamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tunicamycin",NA,NA,NA,NA,NA,"PDBC54667","177382","Present",NA,NA
+"54668","Tylocrebrine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tylocrebrin",NA,"COC1=C(C2=C(C=C1)C3=C(CC4CCCN4C3)C5=CC(=C(C=C52)OC)OC)OC","YFEPHJVWLFGWKH-CQSZACIVSA-N",246845,NA,"PDBC54668","60387","Present",NA,NA
+"54669","Tyloindicine F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tyloindicine F",NA,"COC1=CC=C(C=C1)C2=CC3(CCCN3CC2C4=CC(=C(C=C4)OC)OC)O","WHTUBPJAGYKOQP-NFBKMPQASA-N",373658,NA,"PDBC54669","650393","Present",NA,NA
+"54670","Tyloindicine G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tyloindicine G",NA,"COC1=C(C=C2C(=C1)C3CN4CCCC4(C=C3C5=CC(=C(C=C25)OC)OC)O)OC","KKOZIXJFGMEJCY-NTKDMRAZSA-N",373659,NA,"PDBC54670","650394","Present",NA,NA
+"54671","Tyloindicine H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tyloindicine H",NA,"COC1=C(C2=C(C=C1)C3=CC4CCCN4CC3C5=CC(=C(C=C52)OC)OC)O","KXSJHSREHJDQJT-UGSOOPFHSA-N",373660,NA,"PDBC54671","650395","Present",NA,NA
+"54672","Tyloindicine I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tyloindicine I",NA,"COC1=C(C=C(C=C1)C2=CN3CCCC3C=C2C4=CC(=C(C(=C4)OC)OC)O)OC","ZFICSRNQVIMLDY-KRWDZBQOSA-N",373661,NA,"PDBC54672","650396","Present",NA,NA
+"54673","Tylophorine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC717335///NSC76387",NA,"COC1=C(C=C2C(=C1)C3=C(CN4CCCC4C3)C5=CC(=C(C=C52)OC)OC)OC","SSEUDFYBEOIWGF-AWEZNQCLSA-N",92114,NA,"PDBC54673","717335///76387","Present",NA,NA
+"54674","Tylosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tylosin",NA,NA,"CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC","WBPYTXDJUQJLPQ-VMXQISHHSA-N",5280440,NA,"PDBC54674",NA,"Absent",NA,NA
+"54675","Tyrphostin 47",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tyrphostin 47","Tyrphostin 47",NA,"C1=CC(=C(C=C1C=C(C#N)C(=S)N)O)O","ZGHQGWOETPXKLY-XVNBXDOJSA-N",667601,NA,"PDBC54675","638083","Present",NA,NA
+"54676","Tyrphostin A25",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tyrphostin 25",NA,NA,"C1=C(C=C(C(=C1O)O)O)C=C(C#N)C#N","YZOFLYUAQDJWKV-UHFFFAOYSA-N",2061,NA,"PDBC54676",NA,"Absent",NA,NA
+"54677","Tyrphostin AG 126",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-126",NA,NA,"C1=CC(=C(C=C1C=C(C#N)C#N)O)[N+](=O)[O-]","DUQADSPERJRQBW-UHFFFAOYSA-N",2046,NA,"PDBC54677",NA,"Absent",NA,NA
+"54678","Tyrphostin AG 808",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propenenitrile, 3-(1H-indol-3-yl)-2-(3,4-dihydroxy- be...",NA,"C1=CC=C2C(=C1)C(=CN2)C=C(C#N)C(=O)C3=CC(=C(C=C3)O)O","TTZDOBVWBQXGDC-KPKJPENVSA-N",5329275,NA,"PDBC54678","650934","Present",NA,NA
+"54679","Tyrphostin AG-114",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tyrphostin AG-114",NA,"C1=CC(=C(C=C1C=C(C#N)C(=C(C#N)C#N)N)O)O","QUSWOXFVFXXENN-YCRREMRBSA-N",5328806,NA,"PDBC54679","650563","Present",NA,NA
+"54680","U 20043",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"U 20043",NA,"C1CSC(S1)CC(C(COC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O)O","JFUBQIQBWASUOK-UHFFFAOYSA-N",265955,NA,"PDBC54680","102814","Present",NA,NA
+"54681","U3P1689PZY",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"U3P1689PZY",NA,"C1CCC2=C(C1)N=C(S2)NC(=O)CSC(=S)N3CCOCC3","UZURKWYRKRDHNW-UHFFFAOYSA-N",373881,NA,"PDBC54681","650844","Present",NA,NA
+"54682","UC 82",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UC 82",NA,"CC1=C(C=CS1)C(=S)NC2=CC(=C(C=C2)Cl)OCC=C(C)C","ORTIQSICVORWBJ-UHFFFAOYSA-N",3000927,NA,"PDBC54682","675187","Present",NA,NA
+"54683","UC-38",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UC-38",NA,"CC(C)OC(=O)C1=C(C=CC(=C1)NC(=S)OC(C)C)Cl","AXTNFJKQZPETJA-UHFFFAOYSA-N",3000477,NA,"PDBC54683","629243","Present",NA,NA
+"54684","UC20",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UC20",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C3CC3","SQEXNUNPTRMKMI-UHFFFAOYSA-N",3000950,NA,"PDBC54684","647024","Present",NA,NA
+"54685","UC34",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UC34",NA,"CC1=C(SCCO1)C(=O)N(C)C2=CC(=C(C=C2)Cl)C(=O)OC(C)C","ANQVCFBUWJYKTI-UHFFFAOYSA-N",365256,NA,"PDBC54685","632780","Present",NA,NA
+"54686","UC57",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UC57",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOCC=C","DJSIDTVOVQBTCC-VCHYOVAHSA-N",9554693,NA,"PDBC54686","647014","Present",NA,NA
+"54687","UC939",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UC939",NA,"CC(C)(C)ON=CC1=C(C=CC(=C1)NC(=S)C2=CSC=C2)Cl","JPZLUFUAACOGIT-GIJQJNRQSA-N",9554699,NA,"PDBC54687","668856","Present",NA,NA
+"54688","UCAZKOGHTSCQJD-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UCAZKOGHTSCQJD-UHFFFAOYSA-N",NA,"CCOC(=O)C1C(C2(C(=N)OC1(C2(C#N)C#N)C)C#N)C3=CC=CO3","UCAZKOGHTSCQJD-UHFFFAOYSA-N",387756,NA,"PDBC54688","681785","Present",NA,NA
+"54689","UCB 2493",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UCB 2493",NA,"CC(CN1CCN(CC1)CCOCCO)CN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl","CSJGNRAVTRAKFB-UHFFFAOYSA-N",99045,NA,"PDBC54689","169096","Present",NA,NA
+"54690","UJG91SCR75",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UJG91SCR75",NA,"C1=C(OC(=C1)C2=NC(=CS2)C(=O)N)CO","OQCLZQWTNBBAKN-UHFFFAOYSA-N",335825,NA,"PDBC54690","347464","Present",NA,NA
+"54691","UNCSYWYTUBIMHD-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UNCSYWYTUBIMHD-UHFFFAOYSA-N",NA,"CN1C(=O)N2C=NC(=C2N=N1)C(=S)N","UNCSYWYTUBIMHD-UHFFFAOYSA-N",3352880,NA,"PDBC54691","689302","Present",NA,NA
+"54692","UNIROYAL ANALOG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UNIROYAL ANALOG",NA,"CC1=C(C=CO1)C(=S)NC2=CC(=C(C=C2)Cl)C=NOC(C)C","GMMWMLRSGQSQHI-GIJQJNRQSA-N",9554692,NA,"PDBC54692","641660","Present",NA,NA
+"54693","UNM-0000305770",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UNM-0000305770",NA,"C1=CC=C2C(=C1)C(=O)C(=N2)C3=C(NC4=C3C=C(C=C4)Br)O","XMPHNZMDLSUDQI-UHFFFAOYSA-N",403165,NA,"PDBC54693","717817","Present",NA,NA
+"54694","UNM000000670101",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UNM000000670101",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)NCC(C1=CC=CC=C1)O","QFNOUVDGXWMRBF-UHFFFAOYSA-N",383569,NA,"PDBC54694","671987","Present",NA,NA
+"54695","UPCMLD00W3025",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UPCMLD00W3025",NA,"C1C(C(=O)OC12C=CC(=O)C=C2)NC(=O)OCC3=CC=CC=C3","PGKQZJADGOPNLL-AWEZNQCLSA-N",371587,NA,"PDBC54695","645979","Present",NA,NA
+"54696","UPCMLD02APSI002042",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UPCMLD02APSI002042",NA,"COC1=C(C=C(C=C1)CN2C3=C(C=C2C(=O)N4CCCC4)C5C(C3)CN(C5(CC6=CC=CC=C6)C(=O)OC)C(=O)C7=CC=CC=C7)OC","FBCSCJATBWRZKW-UYCCPRBBSA-N",3247140,NA,"PDBC54696","735393","Present",NA,NA
+"54697","UQSFEHLMJORMQA-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UQSFEHLMJORMQA-UHFFFAOYSA-N",NA,"CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2","UQSFEHLMJORMQA-UHFFFAOYSA-N",385599,NA,"PDBC54697","676896","Present",NA,NA
+"54698","UQX84B2SB9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UQX84B2SB9",NA,"C1=CC=C2C(=C1)C=C3N2C(=O)C4=CC5=CC=CC=C5N4C3=O","KVIOIFKWKBDGAV-UHFFFAOYSA-N",325616,NA,"PDBC54698","294614","Present",NA,NA
+"54699","US10246444, Example 90",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787237",NA,"C1C(CSS1)CC(=O)NC2=C(C=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)OCC(CO)O","UVWRRZRGHPHHLL-HSZRJFAPSA-N",135236611,NA,"PDBC54699","787237","Present",NA,NA
+"54700","US10246444, Example 92",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC787238",NA,"C1C(CSS1)CC(=O)NC2=C(C=C3C(=C2)C(=C(C=N3)C#N)NC4=CC(=C(C=C4)OCC5=CC(=CC=C5)F)Cl)OCC(CO)O","UVWRRZRGHPHHLL-QHCPKHFHSA-N",135236945,NA,"PDBC54700","787238","Present",NA,NA
+"54701","US10266549, Example 14",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-bromo-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4...",NA,"CNC(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=CC(=C(C(=C3)OC)OC)OC","VPALTONRQJGXKI-UHFFFAOYSA-N",118905689,NA,"PDBC54701","803593","Present",NA,NA
+"54702","US10669234, Example 122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788435",NA,"C1CC(N(C1)C#N)C(=O)N2CCC3=C(C=CC=C32)C4=C5C=CC=NC5=NN4","ITVHSCOFHWBGHL-KRWDZBQOSA-N",135205141,NA,"PDBC54702","788435","Present",NA,NA
+"54703","US8987474, HL1-056 (NSC-117199)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"US8987474, HL1-056 (NSC-117199)",NA,"C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3)S(=O)(=O)O)O)[N+](=O)[O-]","ZJSOBJXQXMFSSR-UHFFFAOYSA-N",3246406,NA,"PDBC54703","117199","Present",NA,NA
+"54704","US9029401, 2278 (t-CUPM)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-4-{4-[3-(4-chloro-3-trifluoromethyl-phenyl)-ureido...",NA,"CNC(=O)C1=NC=CC(=C1)OC2CCC(CC2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F","VZOUKWZMPPMODY-UHFFFAOYSA-N",60150671,NA,"PDBC54704","762901","Present",NA,NA
+"54705","US9320734, 316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"US9320734, 316",NA,"CC1=NN(C(=O)C1N=NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C(=O)C4=CC=C(C=C4)Cl","HRJNALBHZAXUKU-UHFFFAOYSA-N",335987,NA,"PDBC54705","348900","Present",NA,NA
+"54706","UZFQDPJMWANVCH-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UZFQDPJMWANVCH-UHFFFAOYSA-N",NA,"C1COS(=O)(=O)C(S(=O)(=O)O1)F","UZFQDPJMWANVCH-UHFFFAOYSA-N",380419,NA,"PDBC54706","665942","Present",NA,NA
+"54707","UZVIEHHFXNOPBW-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UZVIEHHFXNOPBW-UHFFFAOYSA-N",NA,"C1=CC(=C(C=C1C2=NC3=C(S2)C=CC(=C3)F)CO)N","UZVIEHHFXNOPBW-UHFFFAOYSA-N",402863,NA,"PDBC54707","717148","Present",NA,NA
+"54708","Ucn-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"UCN-01",NA,"CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC","PBCZSGKMGDDXIJ-KRUBCLEUSA-N",3078519,NA,"PDBC54708","800958","Present",NA,NA
+"54709","Ukrain",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ukrain",NA,"C[N+]1(CC2=C(C=CC3=C2OCO3)C4C1C5=CC6=C(C=C5CC4O)OCO6)CCNP(=S)(NCC[N+]7(CC8=C(C=CC9=C8OCO9)C1C7C2=CC3=C(C=C2CC1O)OCO3)C)NCC[N+]1(CC2=C(C=CC3=C2OCO3)C2C1C1=CC3=C(C=C1CC2O)OCO3)C.O","FPORNMFLKJTCFO-GIBOVVLPSA-N",11969872,NA,"PDBC54709","631570","Present",NA,NA
+"54710","Uleine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ULEINE",NA,"CCC1C2CCN(C1C3=C(C2=C)NC4=CC=CC=C43)C","MFFIRXGJJPPAMA-UHFFFAOYSA-N",252320,NA,"PDBC54710","73900","Present",NA,NA
+"54711","Umbelliferone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"skimmetin",NA,"C1=CC(=CC2=C1C=CC(=O)O2)O","ORHBXUUXSCNDEV-UHFFFAOYSA-N",5281426,NA,"PDBC54711","19790","Present",NA,NA
+"54712","Umbralisib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"umbralisib",NA,"CC(C)OC1=C(C=C(C=C1)C2=NN(C3=NC=NC(=C23)N)C(C)C4=C(C(=O)C5=C(O4)C=CC(=C5)F)C6=CC(=CC=C6)F)F","IUVCFHHAEHNCFT-INIZCTEOSA-N",72950888,NA,"PDBC54712","800405","Present",NA,NA
+"54713","Undecanamide, 11,11'-dithiobis(N-vanillyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-158387",NA,"COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCCCSSCCCCCCCCCCC(=O)NCC2=CC(=C(C=C2)O)OC)O","ZQLIHLFWNQYXJE-UHFFFAOYSA-N",377615,NA,"PDBC54713","659192","Present",NA,NA
+"54714","Undecylenic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"declid",NA,"C=CCCCCCCCCC(=O)O","FRPZMMHWLSIFAZ-UHFFFAOYSA-N",5634,NA,"PDBC54714","2013","Present",NA,NA
+"54715","Unguinol, 2-chloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Unguinol, 2-chloro-",NA,"CC=C(C)C1=CC(=C(C2=C1OC3=C(C(=C(C(=C3)O)Cl)C)C(=O)O2)C)O","KZPINWADEGOBQG-VMPITWQZSA-N",5387596,NA,"PDBC54715","625059","Present",NA,NA
+"54716","Unii-16720ver1H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC783249///NSC800775",NA,"CN1CCCCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C1)C=CC(=C4)Br)OC","JXDYOSVKVSQGJM-UHFFFAOYSA-N",11952856,NA,"PDBC54716","783249///800775","Present",NA,NA
+"54717","Unii-17van37K4Y",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(11beta,17beta)-17-hydroxy-11-[3,4-(methylenedioxy)pheny...",NA,"CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC6=C(C=C5)OCO6)C)O","DFELGYQKEOCHOA-BZAFBGKRSA-N",9867361,NA,"PDBC54717","791571","Present",NA,NA
+"54718","Unii-3B512hjd65",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"PF-06873600",NA,"CC1(CCCC1N2C3=NC(=NC=C3C=C(C2=O)C(F)F)NC4CCN(CC4)S(=O)(=O)C)O","QIEKHLDZKRQLLN-FOIQADDNSA-N",134247638,NA,"PDBC54718","812927","Present",NA,NA
+"54719","Unii-3BY9Z3M34G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-4205",NA,"CC(C(=O)NC1=CC=CC2=C1NC=C2C3=NC(=NC=C3)NC4=CN(N=C4OC)C)N5CCN(CC5)C","CVCVOSPZEVINRM-MRXNPFEDSA-N",126715380,NA,"PDBC54719","801813","Present",NA,NA
+"54720","Unii-5TT4A4mblr",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CT-32228",NA,"CC1=C(C=C(C=C1)Cl)C2=NC(=NC(=N2)NC3=CC=C(C=C3)Br)N","NUPGPJBRKLLVNK-UHFFFAOYSA-N",9886720,NA,"PDBC54720","762419","Present",NA,NA
+"54721","Unii-6lgr0ryy5Q",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SEL-120",NA,"CC1=C2C3=C(CCCN3C(=N2)N4CCNCC4)C(=C1Br)Br","FSBMCTDYWXIBLM-UHFFFAOYSA-N",73776233,NA,"PDBC54721","805500","Present",NA,NA
+"54722","Unii-97W7N9T08G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AMG-176",NA,"CC1CC=CC(C2CCC2CN3CC4(CCCC5=C4C=CC(=C5)Cl)COC6=C3C=C(C=C6)C(=O)NS(=O)(=O)C1C)OC","JQNINBDKGLWYMU-GEAQBIRJSA-N",118910268,NA,"PDBC54722","804041","Present",NA,NA
+"54723","Unii-B68083E4YG",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CEP-9722",NA,"CN1CCN(CC1)CN2C(=O)C3=C(C2=O)C4=C(C5=C3CCC5)NC6=C4C(=CC=C6)OC","CTLOSZHDGZLOQE-UHFFFAOYSA-N",24780387,NA,"PDBC54723","768593","Present",NA,NA
+"54724","Unii-I0DX1FG55Y",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"E-7386",NA,"CCN1CCN(CC1)C2CN(C2)C3=CC=CC(=N3)CN4CC5N(C(C4=O)CC6=C(C=C(C=C6)O)F)C(=O)CN(N5C(=O)NCC7=CC=CC=C7)CC=C","ZGNKNLOBYFTGRG-GIWKVKTRSA-N",91810345,NA,"PDBC54724","820052","Present",NA,NA
+"54725","Unii-TQ6pbx1JU0",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-{3-fluoro-4-[7-(5-methyl-1H-imidazol-2-yl)-1-oxo-2,3-d...",NA,"CC1=CN=C(N1)C2=C3C(=C(C=C2)C4=C(C=C(C=C4)NC(=O)NC5=C(C=C(C=C5F)F)F)F)CNC3=O","MWHHJYUHCZWSLS-UHFFFAOYSA-N",118480924,NA,"PDBC54725","791692","Present",NA,NA
+"54726","Unii-UB24Z27Z5N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NCIMech_000322",NA,"C1=CC(=O)C2=C(C(=C(C(=C2C1=O)O)COC(=O)N)COC(=O)N)O","VCZBTSKVAAVCJJ-UHFFFAOYSA-N",312765,NA,"PDBC54726","224124","Present",NA,NA
+"54727","Unii-W01GT2R6X2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"12H-7,11-Nitrilo-6H,20H-dibenzo[b,m][1,15,5,8,11] dioxat...",NA,"C1CN=CC2=CC=CC=C2OCC3=NC(=CC=C3)COC4=CC=CC=C4C=NCCN1","CPUMPYHWJQXHHV-UHFFFAOYSA-N",388222,NA,"PDBC54727","682815","Present",NA,NA
+"54728","Unii-W6F4frq5QC",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CC-90011 besylate",NA,"CN1C(=O)C(=C(N=C1N2CCC(CC2)N)C3=CC(=C(C=C3)C#N)F)C4=CC(=C(C=C4)OC)F","NBAIXBAUHIQQGF-UHFFFAOYSA-N",118483201,NA,"PDBC54728","822744","Present",NA,NA
+"54729","Unii-X4745nyk8U",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9,10-Dihydroxy-5,7-dimethoxy-1H-naphtho(2,3c)pyran-1-one",NA,"CC1=CC2=C(C3=CC(=CC(=O)C3=C(C2=C(O1)O)O)OC)OC","VSCKPWVJVLWGPW-UHFFFAOYSA-N",135558,NA,"PDBC54729","720840","Present",NA,NA
+"54730","Unii-XQ43H3V6M1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TAK-981 oxalate",NA,"CC1=C(C=C(S1)C(=O)C2=CN=CN=C2NC3CC(C(C3)O)COS(=O)(=O)N)C4C5=C(CCN4)C=CC(=C5)Cl","LXRZVMYMQHNYJB-UNXOBOICSA-N",118628567,NA,"PDBC54730","820784","Present",NA,NA
+"54731","Unii-gvm730chww",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EMD-1204831",NA,"CN1C=C(C=N1)C2=NN(C(=O)C=C2)CC3=CC(=CC=C3)C4=NC=C(C=N4)OCCN5CCOCC5","CIUKPBWULKEZMF-UHFFFAOYSA-N",25134692,NA,"PDBC54731","767954","Present",NA,NA
+"54732","Unii-jup57A8epz",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AZD-9833",NA,"CC1CC2=C(C=CC3=C2C=NN3)C(N1CC(F)(F)F)C4=NC=C(C=C4)NC5CN(C5)CCCF","WDHOIABIERMLGY-CMJOXMDJSA-N",134453496,NA,"PDBC54732","828717","Present",NA,NA
+"54733","Unii-oqm5SD32BQ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dxd",NA,"CCC1(C2=C(COC1=O)C(=O)N3CC4=C5C(CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)NC(=O)CO)O","PLXLYXLUCNZSAA-QLXKLKPCSA-N",117888634,NA,"PDBC54733","825332","Present",NA,NA
+"54734","Uniroyal Compound-38",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uniroyal Compound-38",NA,"CC1=C(SCCO1)C(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC(C)C","FMQGUMRNTBJHEA-UHFFFAOYSA-N",1385,NA,"PDBC54734","615985","Present",NA,NA
+"54735","Untenic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Untenic acid",NA,"CC(=CC=CC1(CCCC2=C1OC=C2)C)CCCC(=C)CC(=O)O","LNOWBOSAKPCEMX-CLSYNVFISA-N",11970051,NA,"PDBC54735","657964","Present",NA,NA
+"54736","Upro-PAME",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Upro-PAME",NA,"CC1=CCCC(C=CCC2(C(O2)CC(CC1)C(=C)C(=O)OC)C)(C)O","HRPMNAKVKOFOIM-FPAJACGVSA-N",54611345,NA,"PDBC54736","699121","Present",NA,NA
+"54737","Uprolide H",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uprolide H",NA,"CC1CCCC(C=CCC2(C(O2)CC3C(C1=O)OC(=O)C3=C)C)(C)O","UBWCCSDCQXXMNN-SPPSWNQRSA-N",54611651,NA,"PDBC54737","721052","Present",NA,NA
+"54738","Uracil, (2S,trans)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-[tetrahydro-5-oxo...",NA,"C[Si](C)(C)OC1CC(=O)OC1N2C=C(C(=O)NC2=O)F","VUNMNCXPWSZIGW-UHFFFAOYSA-N",434954,NA,"PDBC54738","361605","Present",NA,NA
+"54739","Uracil, 3-methyl-6-(phenylhydrazino)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uracil, 3-methyl-6-(phenylhydrazino)-",NA,"CN1C(=O)C=C(NC1=O)NNC2=CC=CC=C2","NFBSQDDMUNRPKD-UHFFFAOYSA-N",385874,NA,"PDBC54739","677274","Present",NA,NA
+"54740","Uracil,2-bis(ethoxycarbonyl)ethenyl]-, cis-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-, cis-",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)NC1=O","XYMMVIVREVUTSP-FPLPWBNLSA-N",5468899,NA,"PDBC54740","678989","Present",NA,NA
+"54741","Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl)-, trans",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uracil, 1-[1,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl...",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC=C","HGLPMBDVMXOGKQ-ZHACJKMWSA-N",5468906,NA,"PDBC54741","679003","Present",NA,NA
+"54742","Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (E)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenedioic acid, (E)-, 2-(1,2,3,4-tetrahydro-2,4-diox...",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC#C","ZBTXGWUFKXPJEY-ZHACJKMWSA-N",5469885,NA,"PDBC54742","693984","Present",NA,NA
+"54743","Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (Z)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Butenedioic acid, (Z)-, 2-(1,2,3,4-tetrahydro-2,4-diox...",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)CC#C","ZBTXGWUFKXPJEY-KHPPLWFESA-N",5469884,NA,"PDBC54743","693983","Present",NA,NA
+"54744","Uracil,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uracil, 1,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-",NA,"CCOC(=O)C=C(C(=O)OCC)N1C=CC(=O)N(C1=O)C(=CC(=O)OCC)C(=O)OCC","UPHYNRRUSIKYTL-HEEUSZRZSA-N",6381423,NA,"PDBC54744","679005","Present",NA,NA
+"54745","Urdamycin A, pentaacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urdamycin A, pentaacetate",NA,NA,NA,NA,NA,"PDBC54745","613244","Present",NA,NA
+"54746","Urea deriv. 32",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW830900A",NA,"CN(C)CCNC(=O)NC1=CC=C(C=C1)N(C)C2=NC(=NC=C2)NC3=CC=C(C=C3)CS(=O)(=O)C","WDCDRYHNMJJKBE-UHFFFAOYSA-N",5329838,NA,"PDBC54746","756398","Present",NA,NA
+"54747","Urea deriv. 33",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"GW830365A",NA,"CN(C1=CC=C(C=C1)NC(=O)NCCN2CCOCC2)C3=NC(=NC=C3)NC4=CC=C(C=C4)CS(=O)(=O)C","UHEFETJAUKNRQO-UHFFFAOYSA-N",5329839,NA,"PDBC54747","756397","Present",NA,NA
+"54748","Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, 1-(2-chloroethyl)-1-nitroso-3-(thiochroman-4-yl)-",NA,"C1CSC2=CC=CC=C2C1NC(=O)N(CCCl)N=O","YYNJYTGDJJPAFO-UHFFFAOYSA-N",98351,NA,"PDBC54748","110800","Present",NA,NA
+"54749","Urea, 1-benzyl-3-(2-chloroethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-158932",NA,"C1=CC=C(C=C1)CNC(=O)NCCCl","CNQHZLLOIIQGKB-UHFFFAOYSA-N",98726,NA,"PDBC54749","162260","Present",NA,NA
+"54750","Urea, 1-methyl-3-(5-nitro-2-benzimidazolyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"urea, 1-methyl-3-(5-nitro-2-benzimidazolyl)-",NA,"CNC(=O)NC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]","XSGBKKUVKNYNJI-UHFFFAOYSA-N",3740466,NA,"PDBC54750","109871","Present",NA,NA
+"54751","Urea, N'-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N,N-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-1,1-dimethylurea",NA,"CN(C)C(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","AAJKEAZZFRWDRU-UHFFFAOYSA-N",360497,NA,"PDBC54751","622631","Present",NA,NA
+"54752","Urea, N-(1-((2-amino-4-pyridinyl)methyl)-1H-indol-4-yl)-N'-(5-bromo-2-methoxyphenyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CGI Diphenylurea PK inhibitor///JI-101",NA,"COC1=C(C=C(C=C1)Br)NC(=O)NC2=C3C=CN(C3=CC=C2)CC4=CC(=NC=C4)N","ZXBFYBLSJMEBEP-UHFFFAOYSA-N",11691242,NA,"PDBC54752","762381///801003","Present",NA,NA
+"54753","Urea, N-(2-chloroethyl)-N',N'-dimethyl-N-nitroso-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, N-(2-chloroethyl)-N',N'-dimethyl-N-nitroso- (9CI)",NA,"CN(C)C(=O)N(CCCl)N=O","NEQGOOOOLVHDDF-UHFFFAOYSA-N",99604,NA,"PDBC54753","247513","Present",NA,NA
+"54754","Urea, N-(6,7-dichloro-3-cyano-1,4-dioxido-2-quinoxalinyl)-N'-[2-(dimethylamino)ethyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, N-(6,7-dichloro-3-cyano-1,4-dioxido-2-quinoxalinyl)-N'-[2-(dimethylamino)ethyl]-",NA,"CN(C)CCNC(=O)NC1=[N+](C2=CC(=C(C=C2[N+](=C1C#N)[O-])Cl)Cl)[O-]","QOLIGFLCFUIOCS-UHFFFAOYSA-N",135436277,NA,"PDBC54754","717104","Present",NA,NA
+"54755","Urea, N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N'-propyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2,6-Dinitro-4-(trifluoromethyl)phenyl]-3-propylurea",NA,"CCCNC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]","ZWXDFKKLKCNOOG-UHFFFAOYSA-N",360499,NA,"PDBC54755","622633","Present",NA,NA
+"54756","Urea,6-dichloro-1H-benzimidazol-2-yl)-N,N-dimethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, N'-(5,6-dichloro-1H-benzimidazol-2-yl)-N,N-dimethyl-",NA,"CN(C)C(=O)NC1=NC2=CC(=C(C=C2N1)Cl)Cl","CSGVYPZRFHMAMW-UHFFFAOYSA-N",290653,NA,"PDBC54756","154751","Present",NA,NA
+"54757","Ureidosuccinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ureidosuccinate",NA,"C(C(C(=O)O)NC(=O)N)C(=O)O","HLKXYZVTANABHZ-UHFFFAOYSA-N",279,NA,"PDBC54757","14983","Present",NA,NA
+"54758","Uridine 2',3'-acetonide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ip-U",NA,"CC1(OC2C(OC(C2O1)N3C=CC(=O)NC3=O)CO)C","GFDUSNQQMOENLR-UHFFFAOYSA-N",351234,NA,"PDBC54758","520038","Present",NA,NA
+"54759","Uridine triacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC788948",NA,"CC(=O)OCC1C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C","AUFUWRKPQLGTGF-FMKGYKFTSA-N",20058,NA,"PDBC54759","788948","Present",NA,NA
+"54760","Uridine, 2'-deoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deoxyuridine",NA,"C1C(C(OC1N2C=CC(=O)NC2=O)CO)O","MXHRCPNRJAMMIM-UHFFFAOYSA-N",640,NA,"PDBC54760","23615","Present",NA,NA
+"54761","Uridine, 2'-deoxy-5-fluoro-5'-thio-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uridine, 2'-deoxy-5-fluoro-5'-thio-",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)F)CS)O","PFPJGSFIFKFILK-UHFFFAOYSA-N",253426,NA,"PDBC54761","76351","Present",NA,NA
+"54762","Uridine, 3',5'-bis(p-nitrobenzoate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uridine, 2'-deoxy-5-(trifluoromethyl)-, 3',5'-bis(p-nitr...",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(F)(F)F)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","MRWCZWASOUTDDT-UHFFFAOYSA-N",260750,NA,"PDBC54762","92423","Present",NA,NA
+"54763","Uridine, 5-bromo-2'-deoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"brdu",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)Br)CO)O","WOVKYSAHUYNSMH-UHFFFAOYSA-N",236184,NA,"PDBC54763","38297","Present",NA,NA
+"54764","Uridine,2,2-trifluoroethoxy)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uridine, 5-(2,2,2-trifluoroethoxy)-",NA,"C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)OCC(F)(F)F","GWJIQGBDLJUUKG-UHFFFAOYSA-N",371636,NA,"PDBC54764","646087","Present",NA,NA
+"54765","Uridine,3'-dideoxy-5-[(2,2,2-trifluoro-ethoxy)methyl]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uridine, 3'-azido-2',3'-dideoxy-5-[(2,2,2-trifluoro- eth...",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)COCC(F)(F)F)CO)N=[N+]=[N-]","GQGJQGSYVHQWJI-UHFFFAOYSA-N",6711900,NA,"PDBC54765","646086","Present",NA,NA
+"54766","Uridine,5-(1-azido-2-chloroethyl)-2'-deoxy-, (R)-(9CI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(1-Azido-2-chloroethyl)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)C(CCl)N=[N+]=[N-])CO)O","UCPSBDUPEGUDEU-UHFFFAOYSA-N",374115,NA,"PDBC54766","651423","Present",NA,NA
+"54767","Urocanic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"urocanic acid",NA,"C1=C(NC=N1)C=CC(=O)O","LOIYMIARKYCTBW-OWOJBTEDSA-N",736715,NA,"PDBC54767","66357","Present",NA,NA
+"54768","Urs-12-ene-1beta,2alpha,3beta,11alpha-tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1.beta.,2.alpha.,3.beta.,11.alpha.,-Tetrahydroxy-urs-12-ene",NA,"CC1CCC2(CCC3(C(=CC(C4C3(CCC5C4(C(C(C(C5(C)C)O)O)O)C)C)O)C2C1C)C)C","YZTZJWAFBBUUTI-AQQFODMKSA-N",404646,NA,"PDBC54768","721074","Present",NA,NA
+"54769","Ursa-11,13(18)-dien-28-oic acid-3beta-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ursa-11,13(18)-dien-28-oic acid-3.beta.-ol",NA,"CC1CCC2(CCC3(C(=C2C1C)C=CC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C)C(=O)O","PXDYNDUVPVYMRV-SOPLDUJUSA-N",378695,NA,"PDBC54769","661747","Present",NA,NA
+"54770","Ursocholic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ursocholic acid",NA,"CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C","BHQCQFFYRZLCQQ-UIMIOFAZSA-N",376829,NA,"PDBC54770","657947","Present",NA,NA
+"54771","Usambarensine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Usambarensine",NA,"CC=C1CN2CCC3=C(C2CC1CC4=C5C(=C6C=CC(=O)C=C6N5)C=CN4)NC7=CC=CC=C37","KQQKDNVPESYGBB-JKCZZUPASA-N",54611444,NA,"PDBC54771","703771","Present",NA,NA
+"54772","Usnic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"l-Usnic acid///D-Usnic acid",NA,"CC1=C(C(=C2C(=C1O)C3(C(=CC(=O)C(C3=O)C(=O)C)O2)C)C(=O)C)O","CUCUKLJLRRAKFN-UHFFFAOYSA-N",5646,NA,"PDBC54772","5889///5890","Present",NA,NA
+"54773","Uvaretin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uvaretin",NA,"COC1=C(C(=C(C(=C1)O)CC2=CC=CC=C2O)O)C(=O)CCC3=CC=CC=C3","LQHGGFQNRNEFIG-UHFFFAOYSA-N",73447,NA,"PDBC54773","241906","Present",NA,NA
+"54774","Uvidin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uvidin A",NA,"CC1(CCCC2(C1C(=O)C3C(C2CO)(O3)C)C)C","AHPUPUJYVYUVKA-LMCMSHIWSA-N",384882,NA,"PDBC54774","675554","Present",NA,NA
+"54775","Uyshrhkohclbce-phrmgerwsa-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6R,10S,11R)-26.xi.-Hydroxy-13.xi.-oxaspiroirid-16-enal",NA,"CC(=CCCC(=CC=CC(=CC1CC2(C(C(=C(C)C=O)CCC2(C)O)CCCO)C(O1)O)C)C)C","UYSHRHKOHCLBCE-PHRMGERWSA-N",11969877,NA,"PDBC54775","631942","Present",NA,NA
+"54776","Uzarigenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Uzarigenin",NA,"CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)O","XZTUSOXSLKTKJQ-UHFFFAOYSA-N",274159,NA,"PDBC54776","277290","Present",NA,NA
+"54777","Uzarine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"uzarin",NA,"CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=CC(=O)OC5)O)C)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)O)O)O)O)O)O","COIUWGNHAYDCDZ-UHFFFAOYSA-N",348483,NA,"PDBC54777","407809","Present",NA,NA
+"54778","Uzbspdgymabpmi-uhfffaoysa-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(pyridin-3-yl)6,7-dihydro-5H-imidazo[2,1-c][1,2,4]oxad...",NA,"C1CN2C(ONC2=N1)C3=CN=CC=C3","UZBSPDGYMABPMI-UHFFFAOYSA-N",10856274,NA,"PDBC54778","727197","Present",NA,NA
+"54779","V-165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"V-165",NA,"C1=CC(=CC=C1C2C3=C(NC(=S)NC3=O)OC4=C2C(=O)NC(=S)N4)[N+](=O)[O-]","UYLYXNZSRMQYRO-UHFFFAOYSA-N",2921179,NA,"PDBC54779","705851","Present",NA,NA
+"54780","V0ZFP1IW3G",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"V0ZFP1IW3G",NA,"C1=CC(=C(C=C1CCC2=C(C=CC(=C2)O)O)C(=O)O)O","LFWUGCULXWIAOP-UHFFFAOYSA-N",375473,NA,"PDBC54780","655255","Present",NA,NA
+"54781","VAFGRRONTLPYNN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VAFGRRONTLPYNN-UHFFFAOYSA-N",NA,"C1C(=O)CC1(CNC2=CC(=NC(=N2)N)Cl)CO","VAFGRRONTLPYNN-UHFFFAOYSA-N",385229,NA,"PDBC54781","676342","Present",NA,NA
+"54782","VALUUHAHPKNNBY-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VALUUHAHPKNNBY-UHFFFAOYSA-N",NA,"C1CCC(CC1)N2C3=NC4=CC=CC=C4N=C3C5=CC=CC=C5C2=O","VALUUHAHPKNNBY-UHFFFAOYSA-N",362866,NA,"PDBC54782","627272","Present",NA,NA
+"54783","VBY-825",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VBY-825",NA,"CCC(C(=O)C(=O)NC1CC1)NC(=O)C(CS(=O)(=O)CC2CC2)NC(C3=CC=C(C=C3)F)C(F)(F)F","PPUXXDKQNAHHON-BJLQDIEVSA-N",70945511,NA,"PDBC54783","782457","Present",NA,NA
+"54784","VC30255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VC30255",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)N)O","JRFMQYYYSBWMED-UHFFFAOYSA-N",260319,NA,"PDBC54784","91408","Present",NA,NA
+"54785","VCTDOFFTIOQBLD-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VCTDOFFTIOQBLD-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)N2N=C3C=C(C4=NON=C4C3=N2)Br","VCTDOFFTIOQBLD-UHFFFAOYSA-N",382094,NA,"PDBC54785","669453","Present",NA,NA
+"54786","VEEWNVLWBJTTEM-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VEEWNVLWBJTTEM-UHFFFAOYSA-N",NA,"CCOC(=O)C1=CN2C3=C(C=CC=C3SC2=N1)C","VEEWNVLWBJTTEM-UHFFFAOYSA-N",394241,NA,"PDBC54786","697570","Present",NA,NA
+"54787","VFVHZZMEHYNHJD-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VFVHZZMEHYNHJD-UHFFFAOYSA-N",NA,"C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(C(F)(F)F)(C(F)(F)F)NC(=O)C5=CC=CC=C5)F)C(=O)O","VFVHZZMEHYNHJD-UHFFFAOYSA-N",384773,NA,"PDBC54787","675209","Present",NA,NA
+"54788","VGHQGXLWUQBSQS-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VGHQGXLWUQBSQS-UHFFFAOYSA-N",NA,"C=C(CN1C2=CC=CC=C2C(=O)C3=CC=CC=C31)C4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N","VGHQGXLWUQBSQS-UHFFFAOYSA-N",11612031,NA,"PDBC54788","736098","Present",NA,NA
+"54789","VGNDLIWXFSMOLL-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VGNDLIWXFSMOLL-UHFFFAOYSA-N",NA,"CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])CCl","VGNDLIWXFSMOLL-UHFFFAOYSA-N",393068,NA,"PDBC54789","694454","Present",NA,NA
+"54790","VGNDNKIDFQSNDT-UHFFFAOYSA-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VGNDNKIDFQSNDT-UHFFFAOYSA-",NA,"CCN1C2=C(C=CC(=C2)OC(=O)C)C3=C(C1=O)C4=C(O3)C=CC(=C4)OC(=O)C","VGNDNKIDFQSNDT-UHFFFAOYSA-N",376988,NA,"PDBC54790","658209","Present",NA,NA
+"54791","VH-298",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VH-298",NA,"CC1=C(SC=N1)C2=CC=C(C=C2)CNC(=O)C3CC(CN3C(=O)C(C(C)(C)C)NC(=O)C4(CC4)C#N)O","NDVQUNZCNAMROD-RZUBCFFCSA-N",122199236,NA,"PDBC54791","798201","Present",NA,NA
+"54792","VIHJPPUTUITVIQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VIHJPPUTUITVIQ-UHFFFAOYSA-N",NA,"C1C(SC(=N1)NC2=CC(=CC=C2)F)CI","VIHJPPUTUITVIQ-UHFFFAOYSA-N",389120,NA,"PDBC54792","684805","Present",NA,NA
+"54793","VJGMQUWZFATDFA-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VJGMQUWZFATDFA-UHFFFAOYSA-N",NA,"CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)OCCOC","VJGMQUWZFATDFA-UHFFFAOYSA-N",54679341,NA,"PDBC54793","600088","Present",NA,NA
+"54794","VMTUPCLFULPHMX-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VMTUPCLFULPHMX-UHFFFAOYSA-N",NA,"CCOC(=O)C1=CN2C3=C(C=C(C=C3)Cl)SC2=N1","VMTUPCLFULPHMX-UHFFFAOYSA-N",396584,NA,"PDBC54794","703092","Present",NA,NA
+"54795","VRBJCJNVLXEKKP-MDZDMXLPSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VRBJCJNVLXEKKP-MDZDMXLPSA-N",NA,"COC1=CC=CC(=C1)C=CC(=O)N2CC(C3=C2C=C(C4=CC=CC=C43)N)CCl","VRBJCJNVLXEKKP-MDZDMXLPSA-N",5470144,NA,"PDBC54795","698104","Present",NA,NA
+"54796","VT-464 R enantiomer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CS-3140",NA,"CC(C)C(C1=CC2=CC(=C(C=C2C=C1)OC(F)F)OC(F)F)(C3=NNN=C3)O","ZBRAJOQFSNYJMF-GOSISDBHSA-N",78357817,NA,"PDBC54796","783295","Present",NA,NA
+"54797","VU0419410-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VU0419410-1",NA,"CC(C)(C)C1=CC(=C(C=C1)C2=C(C=C(C=C2)C(C)(C)C)CN(C)C)CN(C)C","YINMDCORDMOYEF-UHFFFAOYSA-N",420848,NA,"PDBC54797","128164","Present",NA,NA
+"54798","VU0500347-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VU0500347-1",NA,"CC1=CC(=C(C(=O)N1)C(C2=CN=CC=C2)C3=C(C=C(NC3=O)C)O)O","YIBYJPCQCUYFKU-UHFFFAOYSA-N",54685308,NA,"PDBC54798","311434","Present",NA,NA
+"54799","VU0549354-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VU0549354-1",NA,"CC1(CC2=C(C(=O)C1)C(=C(C(=S)N2)C#N)C3=CC=C(C=C3)OC)C","NKJFOHRGILPPLK-UHFFFAOYSA-N",3005159,NA,"PDBC54799","678050","Present",NA,NA
+"54800","VU0644940-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VU0644940-1",NA,"CC12CC(C(C(=O)N1)C(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4O2","FCBIKCZIAHKSLY-UHFFFAOYSA-N",399142,NA,"PDBC54800","709561","Present",NA,NA
+"54801","VX-322",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VX-322",NA,"C1CC(CCC1C2=CC=C(C=C2)NC3=NN(C(=N3)N)C4=CC=CC=N4)N5CCOCC5","OYUDNKFIGXAIRZ-UHFFFAOYSA-N",11604142,NA,"PDBC54801","771651","Present",NA,NA
+"54802","VX-984 free base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VX-984",NA,"CC1=NC=C(C=N1)C2=CC(=NC=N2)NCC(C)C3=CC=CC4=C(C=CN=C43)C(=O)NC","PEACIOGDEQRHFA-KIYKJNLWSA-N",72188357,NA,"PDBC54802","792969","Present",NA,NA
+"54803","VZICMLNXQIYWKT-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VZICMLNXQIYWKT-UHFFFAOYSA-N",NA,"CC(C)CC(=O)NC(C(F)(F)F)(C(F)(F)F)NC(C)C","VZICMLNXQIYWKT-UHFFFAOYSA-N",389153,NA,"PDBC54803","684837","Present",NA,NA
+"54804","Vadimezan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vadimezan",NA,"CC1=C(C2=C(C=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O)C","XGOYIMQSIKSOBS-UHFFFAOYSA-N",123964,NA,"PDBC54804","828317","Present",NA,NA
+"54805","Vagenine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vagenine A",NA,"CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4OC(=O)C)NC(=O)C=C(C)C)C)C)N(C)C","MTGALPCIDMQJOU-HUUORZJUSA-N",54613350,NA,"PDBC54805","748912","Present",NA,NA
+"54806","Valemetostat",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"valemetostat",NA,"CC1=CC(=C(C(=O)N1)CNC(=O)C2=CC(=C3C(=C2C)OC(O3)(C)C4CCC(CC4)N(C)C)Cl)C","SSDRNUPMYCFXGM-ZZHSESOFSA-N",126481870,NA,"PDBC54806","813381","Present",NA,NA
+"54807","Valproic acid (combination with Azacitidine/Decitabine)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Valproic acid (combination with Azacitidine/Decitabine)",NA,NA,NA,NA,NA,NA,NA,"PDBC54807",NA,"Absent",NA,NA
+"54808","Vanadate (VO43-), (T-4)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC79534",NA,"[O-][V](=O)([O-])[O-].[Na+]","ZINPFSNSSMRHNS-UHFFFAOYSA-N",54602367,NA,"PDBC54808","79534","Present",NA,NA
+"54809","Vancide 26",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vancide 26",NA,"CCCCCCCCCCCC[N+]1=CC=CC=C1.C1=CC2=C(C=C1Cl)N=C(S2)[S-]","NPUUGQIQOUWACG-UHFFFAOYSA-M",79411,NA,"PDBC54809","5337","Present",NA,NA
+"54810","Vanillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vanillin",NA,"COC1=C(C=CC(=C1)C=O)O","MWOOGOJBHIARFG-UHFFFAOYSA-N",1183,NA,"PDBC54810","15351","Present",NA,NA
+"54811","Varacin trifluoroacetate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Varacin trifluoroacetate salt",NA,"COC1=C(C2=C(C(=C1)CCN)SSSSS2)OC.C(=O)(C(F)(F)F)O","CRUVPMFSXZVGCK-UHFFFAOYSA-N",54611558,NA,"PDBC54811","722218","Present",NA,NA
+"54812","Vardenafil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vardenafil",NA,NA,"CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C","SECKRCOLJRRGGV-UHFFFAOYSA-N",135400189,NA,"PDBC54812",NA,"Absent",NA,NA
+"54813","Variamitsin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC269146",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(C(C)O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O","NKGFIFLSQXHQOK-QGZUPYPISA-N",5458528,NA,"PDBC54813","269146","Present",NA,NA
+"54814","Vat blue 6",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"blue k",NA,"C1=CC=C2C(=C1)C(=O)C3=CC(=C4C(=C3C2=O)NC5=C(C=C6C(=C5N4)C(=O)C7=CC=CC=C7C6=O)Cl)Cl","UGCDBQWJXSAYIL-UHFFFAOYSA-N",8532,NA,"PDBC54814","74700","Present",NA,NA
+"54815","Vecabrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vecabrutinib",NA,"C1CC(C(=O)N(C1)C2CN(CCC2C(=O)N)C3=NC=NC(=C3F)N)NC4=CC(=CC(=C4)C(F)(F)F)Cl","QLRRJMOBVVGXEJ-XHSDSOJGSA-N",72547837,NA,"PDBC54815","810114","Present",NA,NA
+"54816","Vectrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC141993",NA,"CN(C)C1C2CC3CC4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.Cl","WTJXVDPDEQKTCV-UHFFFAOYSA-N",54706380,NA,"PDBC54816","141993","Present",NA,NA
+"54817","Vedelianin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vedelianin",NA,"CC(=CCC1=C(C=C(C=C1O)C=CC2=CC3=C(C(=C2)O)OC4(CC(C(C(C4C3)(C)C)O)O)C)O)C","OYMAGMAEFPAAGU-HKYLTJPLSA-N",643539,NA,"PDBC54817","720065","Present",NA,NA
+"54818","Vengicide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC63701///NSC99843",NA,"C1=C(C2=C(N=CN=C2N1C3C(C(C(O3)CO)O)O)N)C#N","XOKJUSAYZUAMGJ-UHFFFAOYSA-N",247955,NA,"PDBC54818","63701///99843","Present",NA,NA
+"54819","Veprisine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Veprisine",NA,"CC1(C=CC2=C(O1)C3=C(C(=C(C=C3)OC)OC)N(C2=O)C)C","DWZSQRJGZJNUEK-UHFFFAOYSA-N",338941,NA,"PDBC54819","363785","Present",NA,NA
+"54820","Verabiscoquinazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Verabiscoquinazole",NA,"COC1=C(C=C2C(=C1)C(=O)NC(N2)(NC(=O)OC)NC(=O)OC)OC","UOLOZKGRSLKSSH-UHFFFAOYSA-N",353473,NA,"PDBC54820","601854","Present",NA,NA
+"54821","Veracoquinazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Veracoquinazole",NA,"COC1=C(C=C2C(=C1)C(=O)NC(=N2)NC(=O)OC)OC","NGRITRRTJXMHLZ-UHFFFAOYSA-N",135416663,NA,"PDBC54821","601852","Present",NA,NA
+"54822","Verapamil hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"verapamil hydrochloride",NA,"CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl","DOQPXTMNIUCOSY-UHFFFAOYSA-N",62969,NA,"PDBC54822","657799","Present",NA,NA
+"54823","Veratraldehyde, (5-nitro-2-pyridyl)hydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-162021",NA,"COC1=C(C=C(C=C1)C=NNC2=NC=C(C=C2)[N+](=O)[O-])OC","MRQJAFVCQWRYMV-PXNMLYILSA-N",6058184,NA,"PDBC54823","52429","Present",NA,NA
+"54824","Veratramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VERATRAMINE",NA,"CC1CC(C(NC1)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)O)C)O","MALFODICFSIXPO-KFKQDBFTSA-N",6070,NA,"PDBC54824","23880","Present",NA,NA
+"54825","Vermeerin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vermeerin",NA,"CC1CC2C(CC3(C1CC(=O)OC3)C)C(=C)C(=O)O2","GKYRUDQNQRLJRF-XGOSFXCESA-N",10400578,NA,"PDBC54825","136718","Present",NA,NA
+"54826","Vermiculine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vermiculin",NA,"CC(=O)CC1CCC(=O)C=CC(=O)OC(CCC(=O)C=CC(=O)O1)CC(=O)C","CFDVIOQSLRJWSU-NXZHAISVSA-N",5467645,NA,"PDBC54826","657321","Present",NA,NA
+"54827","Vermilutin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vermilutin",NA,"CC1=CC(=C2C(=C1)OC3=C(C=CC(=C3C2=O)O)C=CC(C)C)C=O","SYYAOFKGRFPPSI-SNAWJCMRSA-N",5467486,NA,"PDBC54827","653280","Present",NA,NA
+"54828","Vermistatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vermistatin",NA,"CC=CC1=CC(=O)C(=CO1)C2C3=C(C=C(C=C3OC)OC)C(=O)O2","YORFGPDHNOBVBM-BDUNBXCCSA-N",5467588,NA,"PDBC54828","656107","Present",NA,NA
+"54829","Vermixocin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vermixocin B",NA,"CC1=CC2=C(C(=C1)O)OC3=C(C(=C(C=C3)C(CC(C)C)OC(=O)C)OC)C(=O)OC2","NUYFKDBCHFKOBT-UHFFFAOYSA-N",131673,NA,"PDBC54829","658785","Present",NA,NA
+"54830","Vernolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vernolide",NA,"CC(=C)C(=O)OC1CC23C(O2)CCC(=CC4C1C(=C)C(=O)O4)COC3O","ZGXVZQZFVYSUDU-UMXQHGKLSA-N",5381813,NA,"PDBC54830","124460","Present",NA,NA
+"54831","Verproside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Verproside",NA,"C1=COC(C2C1C(C3C2(O3)CO)OC(=O)C4=CC(=C(C=C4)O)O)OC5C(C(C(C(O5)CO)O)O)O","DBUOUVZMYWYRRI-QCOCFSRUSA-N",11969972,NA,"PDBC54831","645271","Present",NA,NA
+"54832","Verrucarin A, (8R)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8b-hydroxyroridin a",NA,"CC1CCOC(C=CC=CC(=O)OC2CC3C4(C2(C5(CC(C(=CC5O3)C)O)COC(=O)C1O)C)CO4)C(C)O","GVZIONLFUHXCGG-KQQUZDAGSA-N",5476868,NA,"PDBC54832","328167","Present",NA,NA
+"54833","Verrucarin A,10-epoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Verrucarin A 9,10-epoxide",NA,"CC1CCOC(=O)C=CC=CC(=O)OC2CC3C4(C2(C5(CCC6(C(C5O3)O6)C)COC(=O)C1O)C)CO4","CLNDGDZYSDRNSO-JSGIOEDPSA-N",54607317,NA,"PDBC54833","283445","Present",NA,NA
+"54834","Verrucarin A,8-dihydroxy-7'-(1-hydroxyethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC269753",NA,"CC1CC(=O)OCC23CC(C(=CC2OC4CC(C3(C45CO5)C)OC(=O)C=CC=CC(OCC1O)C(C)O)C)O","PYYBXMVTBWYBDY-QOOAFILCSA-N",5352030,NA,"PDBC54834","269753","Present",NA,NA
+"54835","Verrucarin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Acetyl-3-hydroxymethylpyrrole",NA,"CC(=O)C1=CNC=C1CO","ZCTFIKLDSSVBAL-UHFFFAOYSA-N",100243,NA,"PDBC54835","270675","Present",NA,NA
+"54836","Versimide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Versimide",NA,"CC1CC(=O)N(C1=O)C(=C)C(=O)OC","KHFBUINXBGUEQW-UHFFFAOYSA-N",301117,NA,"PDBC54836","177377","Present",NA,NA
+"54837","Vertex ATR inhibitor Cpd 45",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vertex ATR inhibitor Cpd 45",NA,"CC(CN(C)C)S(=O)(=O)C1=CC=C(C=C1)C2=CN=C(C(=N2)C(=O)NC3=CC=CC=C3)N","GNEFGLFGNKFHAR-UHFFFAOYSA-N",52915004,NA,"PDBC54837","761693","Present",NA,NA
+"54838","Vicenistatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vicenistatin",NA,"CC1CCC=CC=C(CC(=CCC(C(C=CC=CC(=O)NC1)C)OC2CC(C(C(O2)C)NC)O)C)C","FINGADBUNZWVLV-WRGVACNMSA-N",5466718,NA,"PDBC54838","641691","Present",NA,NA
+"54839","Victoria Blue R",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"basic blue k",NA,"CC[NH+]=C1C=CC(=C(C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C)C4=CC=CC=C14.[Cl-]","JEVGKYBUANQAKG-UHFFFAOYSA-N",16599,NA,"PDBC54839","11240","Present",NA,NA
+"54840","Vilangin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vilangin",NA,"CCCCCCCCCCCC1=C(C(=O)C(=C(C1=O)O)CC2=C(C(=O)C(=C(C2=O)O)CCCCCCCCCCC)O)O","SSBANIVTGNXXSJ-UHFFFAOYSA-N",417182,NA,"PDBC54840","87413","Present",NA,NA
+"54841","Vimseltinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"DCC-3014",NA,"CC1=C(C=CC(=N1)C2=CN=C(N(C2=O)C)NC(C)C)OC3=CC(=NC=C3)C4=CN(N=C4)C","TVGAHWWPABTBCX-UHFFFAOYSA-N",86267612,NA,"PDBC54841","828316","Present",NA,NA
+"54842","Vinca",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vinca",NA,"CCC12CCCN3C1C4=C(CC3)C5=CC=CC=C5N4C(C2)(C(=O)OC)O","RXPRRQLKFXBCSJ-UHFFFAOYSA-N",5668,NA,"PDBC54842","91998","Present",NA,NA
+"54843","Vincaleukoblastine,sulfate(1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757384",NA,"CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O","KDQAABAKXDWYSZ-FCIBFBFCSA-N",9962911,NA,"PDBC54843","757384","Present",NA,NA
+"54844","Vincarubine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vincarubine",NA,"CCC12CCCN3C1C4(CC3)C5=C(C=C(C(=C5)C6=CC7=NC89CCC1C(C8(C7=CC6=O)CCN9CC1=CC)C(=O)OC)OC)N(C4=C(C2)C(=O)OC)C","CLSRDWBICGYSOB-VAPIAZESSA-N",5467644,NA,"PDBC54844","657320","Present",NA,NA
+"54845","Vindoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vindolin",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C","CXBGOBGJHGGWIE-ACSXSLCXSA-N",260535,NA,"PDBC54845","91994","Present",NA,NA
+"54846","Vindolinine, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vindolinine, hydrochloride",NA,"CC1C2CN3CC=CC14C3C25C(C(C4)C(=O)OC)NC6=CC=CC=C56.Cl","NLXUZHWMDFTHOU-UHFFFAOYSA-N",24190768,NA,"PDBC54846","114348","Present",NA,NA
+"54847","Vinleurosine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"leurosine sulfate///NSC90636",NA,"CCC12CN3CCC4=C(C(CC(C3)C1O2)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41.OS(=O)(=O)O","OREMAKNOJRHDJT-SQUPYDECSA-N",5459329,NA,"PDBC54847","528004///90636","Present",NA,NA
+"54848","Violacene-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Violacene-1",NA,"CC1(CC(C(CC1Cl)Cl)(C)C=CCl)CBr","VDVCNFRFKYYHRW-NRSUCWCISA-N",11969767,NA,"PDBC54848","622150","Present",NA,NA
+"54849","Violaceol i",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethericin A",NA,"CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2O)O)C)O)O","YRZXKRQRZJMBFT-UHFFFAOYSA-N",100615,NA,"PDBC54849","330927","Present",NA,NA
+"54850","Violamycin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Violamycin B",NA,NA,NA,NA,NA,"PDBC54850","227185","Present",NA,NA
+"54851","Violastyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VIOLASTYRENE",NA,"COC1=CC(=C(C=C1CC=CC2=CC=CC=C2)OC)O","MGFYJNMOZGSGMU-RMKNXTFCSA-N",5458526,NA,"PDBC54851","269122","Present",NA,NA
+"54852","Vioxanthin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Vioxanthin",NA,"CC1CC2=C(C(=C3C(=C2)C=C(C(=C3O)C4=C(C5=C(C6=C(CC(OC6=O)C)C=C5C=C4OC)O)O)OC)O)C(=O)O1","CJKYODJTBJDEJI-VXGBXAGGSA-N",119072,NA,"PDBC54852","729023","Present",NA,NA
+"54853","Virescenoside A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Virescenoside A",NA,"CC1(CCC2C(=CCC3C2(CC(C(C3(C)COC4C(C(C(C(O4)CO)O)O)O)O)O)C)C1)C=C","FCXXKIPOXPDQAP-UHFFFAOYSA-N",280574,NA,"PDBC54853","132339","Present",NA,NA
+"54854","Virescenoside F & G mixture, NA salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"virescenoside f & g mixture, na salt",NA,"CC1(CCC2C(=CCC3C2(CCC(C3(C)COC4C(C(C(C(O4)C(=O)O)O)O)O)O)C)C1)C=C.CC1(CCC2C(=CCC3C2(CC(C(C3(C)COC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)C)C1)C=C","DMQXWVVAQDWPPV-UHFFFAOYSA-N",431970,NA,"PDBC54854","301493","Present",NA,NA
+"54855","Virginiamycin S1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"staphylomycin s",NA,"CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=CC=C6)C","FEPMHVLSLDOMQC-UHFFFAOYSA-N",122731,NA,"PDBC54855","177858","Present",NA,NA
+"54856","Viridenomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Viridenomycin",NA,"CC1=CC=CC=CC=CCC(NC(=O)C=CC=CC=CC=CC2(C(C(C(=C2C(=O)O1)O)OC)O)C)C3=CC=CC=C3","GWYPHKYSRIAIBU-SZDRKWEPSA-N",54686230,NA,"PDBC54856","648060","Present",NA,NA
+"54857","Viridicatumtoxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"viriditoxin",NA,"CC1=CCCC(C12CC3=C4C2=C(C=C(C4=C(C5=C3C(C6(CC(=O)C(=C(C6(C5=O)O)O)C(=O)N)O)O)O)O)OC)(C)C","FNSQKFOXORBCCC-WBWZXODPSA-N",54686377,NA,"PDBC54857","159628","Present",NA,NA
+"54858","Virosecurinine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Securinin///Virosecurinine///Allosecurinin",NA,"C1CCN2C(C1)C34CC2C=CC3=CC(=O)O4","SWZMSZQQJRKFBP-UHFFFAOYSA-N",267769,NA,"PDBC54858","107413///107414///107415","Present",NA,NA
+"54859","Viscosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Viscosin",NA,"CCCCCCCC(CC(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC1C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)CC(C)C)CO)CC(C)C)CO)C(C)CC)C)O","QYEWAEAWMXRMHB-ANOZCLFLSA-N",6711494,NA,"PDBC54859","628866","Present",NA,NA
+"54860","Visoltricin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Visoltricin",NA,"CC(=CCC1=C(N(C=N1)C)C=CC(=O)OC)C","LFPQYOYKAPGCGM-BQYQJAHWSA-N",5388713,NA,"PDBC54860","638260","Present",NA,NA
+"54861","Vitilevuamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Serine, N-(3-carboxy-1-oxopropyl)cysteinyl-D-phenylala...",NA,"CCC(C)CC1C(=O)NC2C(OC(=O)C(NC(=O)C(N(C(=O)C(NC(=O)C(NC(=O)C(=C)NC(=O)C(NC(=O)C(CSCC(C(=O)NC(C(=O)NC(C(=O)N1)C)CC3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)C4CCCN4C(=O)C(NC2=O)CC5=CC=CC=C5)C(C)CC)CC(C)CC)C(C)C)C)C(COC)O)CO)C","UFOVYHGILLJGLP-UHFFFAOYSA-N",16135684,NA,"PDBC54861","800698","Present",NA,NA
+"54862","Voacanginyl 3,4-dimethoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VOACANGINYL 3,4-DIMETHOXYBENZOATE",NA,"CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)COC(=O)C6=CC(=C(C=C6)OC)OC","VWFYUUBLQUOKET-NARBZXIWSA-N",323475,NA,"PDBC54862","283831","Present",NA,NA
+"54863","Vorasidenib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"AG-881",NA,"CC(C(F)(F)F)NC1=NC(=NC(=N1)C2=NC(=CC=C2)Cl)NC(C)C(F)(F)F","QCZAWDGAVJMPTA-RNFRBKRXSA-N",117817422,NA,"PDBC54863","803600","Present",NA,NA
+"54864","Voruciclib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"P-1446",NA,"CN1CCC(C1CO)C2=C(C=C(C3=C2OC(=CC3=O)C4=C(C=C(C=C4)C(F)(F)F)Cl)O)O","MRPGRAKIAJJGMM-OCCSQVGLSA-N",67409219,NA,"PDBC54864","784284","Present",NA,NA
+"54865","W-205955",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"W-205955",NA,"CC1=C(C(=O)N2C3=CC=CC=C3NC2=C1C#N)CCO","FNCJHHFYZDSIAK-UHFFFAOYSA-N",373492,NA,"PDBC54865","649899","Present",NA,NA
+"54866","W-2880",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"W-2880",NA,"CN1C(=O)C2=C(NC3=CC=CC=C32)NC1=O","HEEARGJAHYXFPS-UHFFFAOYSA-N",387239,NA,"PDBC54866","680814","Present",NA,NA
+"54867","WCISMKQERHOLSW-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WCISMKQERHOLSW-UHFFFAOYSA-N",NA,"CC1=CC2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)Br","WCISMKQERHOLSW-UHFFFAOYSA-N",387949,NA,"PDBC54867","682302","Present",NA,NA
+"54868","WDO527BMU2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WDO527BMU2",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C=C2C(=O)OC)C3=CNC=C3C(=O)OCC4=CC=CC=C4","QKVKUVRBAUWJGI-UHFFFAOYSA-N",386819,NA,"PDBC54868","679527","Present",NA,NA
+"54869","WDWFTRKUESNIEQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WDWFTRKUESNIEQ-UHFFFAOYSA-N",NA,"CC(=O)OCCOCN1C=NC2=C1N=C(N=C2Cl)Cl","WDWFTRKUESNIEQ-UHFFFAOYSA-N",387666,NA,"PDBC54869","681692","Present",NA,NA
+"54870","WEHI-150",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WEHI-150",NA,"C1=CC(=C2C(=C1NCCNCCN)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCN","RFRJYMDNFSFUMR-UHFFFAOYSA-N",438708,NA,"PDBC54870","660224","Present",NA,NA
+"54871","WEQZEPJNZZNZTG-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WEQZEPJNZZNZTG-UHFFFAOYSA-N",NA,"CCC1(C(=O)NC(=O)N(C1=O)C(C)C)NC(=O)C2=CC(=C(C(=C2F)F)F)F","WEQZEPJNZZNZTG-UHFFFAOYSA-N",24765568,NA,"PDBC54871","748723","Present",NA,NA
+"54872","WFKJZQQXVCQTGQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WFKJZQQXVCQTGQ-UHFFFAOYSA-N",NA,"C1=CC(=C(C=C1C(=O)N2C3=C(C=C(C=C3)Cl)C(=O)C2=O)Cl)Cl","WFKJZQQXVCQTGQ-UHFFFAOYSA-N",362454,NA,"PDBC54872","626401","Present",NA,NA
+"54873","WGD1TVN7IQ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WGD1TVN7IQ",NA,"CCCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42","FZJXJUPQVOAASE-UHFFFAOYSA-N",333618,NA,"PDBC54873","336043","Present",NA,NA
+"54874","WGEDKBYCFLUIEM-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WGEDKBYCFLUIEM-UHFFFAOYSA-N",NA,"CC1CN2C3=CC=CC=C3N=C2NC1=O","WGEDKBYCFLUIEM-UHFFFAOYSA-N",388455,NA,"PDBC54874","683385","Present",NA,NA
+"54875","WLN: L7VJ BOVR DNW& CI",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: L7VJ BOVR DNW& CI",NA,"C1=CC(=C(C(=O)C=C1)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-])I","IDYYUTZSVVKPAW-UHFFFAOYSA-N",18074,NA,"PDBC54875","85776","Present",NA,NA
+"54876","WLN: QXR&R&Y1&N1&1 &GH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: QXR&R&Y1&N1&1 &GH",NA,"CC(CN(C)C)C(C1=CC=CC=C1)(C2=CC=CC=C2)O.Cl","YWAGQZNXGUHOSX-UHFFFAOYSA-N",110987,NA,"PDBC54876","403225","Present",NA,NA
+"54877","WLN: T56 A BN ENTJ A- DT6NJ",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T56 A BN ENTJ A- DT6NJ",NA,"C1CN2CCN(C1)C2C3=CC=NC=C3","JIKHJTHQLORZIX-UHFFFAOYSA-N",96625,NA,"PDBC54877","82339","Present",NA,NA
+"54878","WLN: T5N CN AUTJ B11 C1YQ1 E1 E1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T5N CN AUTJ B11 C1YQ1 E1 E1",NA,"CCCCCCCCCCCC1=NC(CN1CC(C)O)(C)C","IXDCGKCZHSLDOF-UHFFFAOYSA-N",52893,NA,"PDBC54878","17757","Present",NA,NA
+"54879","WLN: T5NYVOJ BU1R CF& ER",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T5NYVOJ BU1R CF& ER",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC(=CC=C3)F)C(=O)O2","LEYZNNGXVVKDGN-UVTDQMKNSA-N",1550108,NA,"PDBC54879","74502","Present",NA,NA
+"54880","WLN: T5NYVOJ BU1R DF& ER",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WLN: T5NYVOJ BU1R DF& ER",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)F)C(=O)O2","GGMAOSAZKMNBHB-UVTDQMKNSA-N",1550110,NA,"PDBC54880","74503","Present",NA,NA
+"54881","WP-1034",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WP-1034",NA,"CC(C1=CC=CC=C1)NC(=O)C(=CC2=CC=C(C=C2)[N+](=O)[O-])C#N","RYYNDHCHTCVQJH-KWWJGWKXSA-N",1525283,NA,"PDBC54881","755981","Present",NA,NA
+"54882","WQRXDRGZIIXKAK-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WQRXDRGZIIXKAK-UHFFFAOYSA-N",NA,"C1CN(CC2=C1C3=CC=CC=C3N2)C(=O)C4=CC=CC=C4","WQRXDRGZIIXKAK-UHFFFAOYSA-N",363110,NA,"PDBC54882","627679","Present",NA,NA
+"54883","WR 30090",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WR 30090",NA,"CCCCN(CCCC)CC(C1=CC(=NC2=C1C=C(C=C2Cl)Cl)C3=CC(=C(C=C3)Cl)Cl)O","PGLJCSZNFGDTFZ-UHFFFAOYSA-N",31755,NA,"PDBC54883","112365","Present",NA,NA
+"54884","WR-183489",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WR-183489",NA,"CC(CCCN)NC1=CC(=C(C2=C1N=CC=C2)SC3=CC=C(C=C3)Cl)OC","ASBAZZCYURIEJD-UHFFFAOYSA-N",328151,NA,"PDBC54884","305813","Present",NA,NA
+"54885","WTXODEBLBZCEAI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WTXODEBLBZCEAI-UHFFFAOYSA-N",NA,"CC1=CC(=O)NP(=O)(N1)C23CC4CC(C2)CC(C4)C3","WTXODEBLBZCEAI-UHFFFAOYSA-N",373123,NA,"PDBC54885","649065","Present",NA,NA
+"54886","WUWDHQPLLZPRAK-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WUWDHQPLLZPRAK-UHFFFAOYSA-N",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C=C(C=C1)F)F","WUWDHQPLLZPRAK-UHFFFAOYSA-N",383672,NA,"PDBC54886","672090","Present",NA,NA
+"54887","WYERJSRLPNCVAM-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WYERJSRLPNCVAM-UHFFFAOYSA-N",NA,"CC1=CC2=C(C(=N1)N)C(=NNC2=O)N","WYERJSRLPNCVAM-UHFFFAOYSA-N",394331,NA,"PDBC54887","697700","Present",NA,NA
+"54888","Waol A FD-211",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Waol A FD-211",NA,"CC=CC1C(C=C2C(O1)C(OC2=O)C=CC)O","QXZDESIVIREXNJ-XQJSVKFYSA-N",10354084,NA,"PDBC54888","726144","Present",NA,NA
+"54889","Water extract from Clivia Miniata Regel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Water extract from Clivia Miniata Regel",NA,NA,NA,NA,NA,"PDBC54889","646113","Present",NA,NA
+"54890","Wedeloside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Wedeloside",NA,"CC(C)CC(=O)NC1C(C(C(OC1OC2CC3(C4CCC5(CC4(CCC3C(C2)(C(=O)O)C(=O)O)C(C5=C)O)O)C)CO)O)OC(=O)CCC6=CC=CC=C6","KORXNOWCVVACSW-UHFFFAOYSA-N",156818,NA,"PDBC54890","345715","Present",NA,NA
+"54891","Weltonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Weltonin",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CC=C6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)O)O)O)OC9C(C(C(C(O9)C)O)O)O)C)C)C)OC1","OLAMGHNQGZIWHZ-IIOIRYIBSA-N",401302,NA,"PDBC54891","714608","Present",NA,NA
+"54892","Wikstroemia sp. I",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"huratoxin",NA,"CCCCCCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(CC3(O2)C(=C)C)C)C=C(C6=O)C)O)O)CO","VWGORPXMXKBHER-HMMFFQBYSA-N",54601909,NA,"PDBC54892","266186","Present",NA,NA
+"54893","Wilfoside C1N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Wilfoside C1N",NA,"CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C=C(C)C(C)C)C)C)C)C)OC)O","YUDOHRCAEPBFBO-JBSPSKQRSA-N",5469231,NA,"PDBC54893","684429","Present",NA,NA
+"54894","Wilfoside K1N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Wilfoside K1N",NA,"CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)OC(=O)C=CC9=CC=CC=C9)C)C)C)C)OC)O","WXYGKQHQSYONAN-NVRSCGFLSA-N",5469232,NA,"PDBC54894","684431","Present",NA,NA
+"54895","Wilfoside M1N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Wilfoside M1N",NA,"CC1C(C(CC(O1)OC2C(OC(CC2OC)OC3C(OC(CC3OC)OC4C(OC(CC4OC)OC5CCC6(C7CC(C8(C(CCC8(C7(CC=C6C5)O)O)(C(=O)C)O)C)O)C)C)C)C)OC)O","QRIXVSZPQJPPAL-RWHVKYMSSA-N",388998,NA,"PDBC54895","684430","Present",NA,NA
+"54896","Withacnistin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"WITHACNISTIN",NA,"CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6O)C)O5)COC(=O)C)C","ZQEYWCXMRUYTGT-ODBZFNPSSA-N",54606507,NA,"PDBC54896","135073","Present",NA,NA
+"54897","Withafastuosin D diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Withafastuosin D diacetate",NA,"CC1=C(C(=O)OC(C1)C(COC(=O)C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6)C)O5)C)COC(=O)C","GYBJOJPNTGACJD-VGNPPRNCSA-N",388300,NA,"PDBC54897","682990","Present",NA,NA
+"54898","Withafastuosin E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Withafastuosin E",NA,"CC1=C(C(=O)OC(C1)C(CO)C2CCC3C2(CCC4C3CC(C5(C4(C(=O)C=CC5)C)O)O)C)CO","UCOUIXCKSZUAKU-UGEBWOCTSA-N",387980,NA,"PDBC54898","682346","Present",NA,NA
+"54899","Withaferin-A diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Withaferin-A diacetate",NA,"CC1=C(C(=O)OC(C1)C(C)C2CCC3C2(CCC4C3CC5C6(C4(C(=O)C=CC6OC(=O)C)C)O5)C)COC(=O)C","KKWMXUXYPBDQQX-UHFFFAOYSA-N",433361,NA,"PDBC54899","328416","Present",NA,NA
+"54900","Withanolide E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"withanolide e",NA,"CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC5C6(C4(C(=O)C=CC6)C)O5)C)O)O)O)C","RUVPNJSJTWTANE-LFCBYZEKSA-N",301751,NA,"PDBC54900","179834","Present",NA,NA
+"54901","Withaperuvin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Withaperuvin",NA,"CC1=C(C(=O)OC(C1)C(C)(C2(CCC3(C2(CCC4C3CC(C5(C4(C(=O)C=CC5O)C)O)O)C)O)O)O)C","XLUKITCTLVOOAW-VQDSAXESSA-N",333470,NA,"PDBC54901","334387","Present",NA,NA
+"54902","Wln: GA N-O3*3",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gallium nitrate",NA,"[N+](=O)(O)[O-].[Ga]","IKSPZYAETVSSHT-UHFFFAOYSA-N",6711183,NA,"PDBC54902","15200","Present",NA,NA
+"54903","Wln: L66J byum&N7&7 EO1 &GH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Diheptyl-4-methoxy-1-naphthamidine hydrochloride",NA,"CCCCCCCN(CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OC","WHBCJCZYRNOBLR-UHFFFAOYSA-N",19548,NA,"PDBC54903","24112","Present",NA,NA
+"54904","Wnt Agonist",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-(3,4-(methylenedioxy)benzylamino)-6-(3-methoxy...",NA,"COC1=CC=CC(=C1)C2=CC(=NC(=N2)N)NCC3=CC4=C(C=C3)OCO4","FABQUVYDAXWUQP-UHFFFAOYSA-N",11210285,NA,"PDBC54904","762367","Present",NA,NA
+"54905","Wogonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Wogonin",NA,"COC1=C(C=C(C2=C1OC(=CC2=O)C3=CC=CC=C3)O)O","XLTFNNCXVBYBSX-UHFFFAOYSA-N",5281703,NA,"PDBC54905","717845","Present",NA,NA
+"54906","Woodhousin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Woodhousin",NA,"CC1=CC2C(C(CC3(CC(C1(O3)O)OC(=O)C)C)OC(=O)C(C)C)C(=C)C(=O)O2","FFEWGNMVSRKASV-XFFZJAGNSA-N",5477469,NA,"PDBC54906","322918","Present",NA,NA
+"54907","Wrxzbsciosrifv-alcczggfsa-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC647919",NA,"CN(C)C1=C(C(=O)C(=CC=O)C1(OC)OC)Cl","WRXZBSCIOSRIFV-ALCCZGGFSA-N",5467179,NA,"PDBC54907","647919","Present",NA,NA
+"54908","XBTQMVNOVUGQPW-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XBTQMVNOVUGQPW-UHFFFAOYSA-N",NA,"CC1=CC=C(C=C1)C2=NNC(=O)N2N","XBTQMVNOVUGQPW-UHFFFAOYSA-N",384493,NA,"PDBC54908","674326","Present",NA,NA
+"54909","XK-469 free acid, (R)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC698215",NA,"CC(C(=O)O)OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl","NUQZXROIVGBRGR-SNVBAGLBSA-N",3246729,NA,"PDBC54909","698215","Present",NA,NA
+"54910","XKXFKLBJKBIKAH-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XKXFKLBJKBIKAH-UHFFFAOYSA-N",NA,"C1C(=CC(=O)N1CC(=O)N)C2=C(CN(C2=O)CC(=O)N)O","XKXFKLBJKBIKAH-UHFFFAOYSA-N",54680446,NA,"PDBC54910","679192","Present",NA,NA
+"54911","XL-019",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XL-019",NA,"C1CC(NC1)C(=O)NC2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)N5CCOCC5","ISOCDPQFIXDIMS-UHFFFAOYSA-N",57990770,NA,"PDBC54911","772887","Present",NA,NA
+"54912","XL-228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"EXEL-2280///XL-228",NA,"CC(C)C1=NOC(=C1)CNC2=NC(=CC(=N2)N3CCN(CC3)C)NC4=NNC(=C4)C5CC5","ALKJNCZNEOTEMP-UHFFFAOYSA-N",59757974,NA,"PDBC54912","778366///800970","Present",NA,NA
+"54913","XL-541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XL-541",NA,"C1C(CN(C1C(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)F)C(=O)CN4C=CN=N4)CC5=CC=C(C=C5)F","YVPVVMYVUCYNPA-IBVKSMDESA-N",45377018,NA,"PDBC54913","768011","Present",NA,NA
+"54914","XNFWIOGJYCWFBP-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XNFWIOGJYCWFBP-UHFFFAOYSA-N",NA,"C(CNCC(CO)O)N","XNFWIOGJYCWFBP-UHFFFAOYSA-N",334402,NA,"PDBC54914","339497","Present",NA,NA
+"54915","XNIVBTJMWLISEX-DJKKODMXSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XNIVBTJMWLISEX-DJKKODMXSA-N",NA,"C1=COC(=C1)C=NN2C(=C(C(=C2N)C#N)C#N)C3=CC=CO3","XNIVBTJMWLISEX-DJKKODMXSA-N",9571538,NA,"PDBC54915","681776","Present",NA,NA
+"54916","XNVUOPFLRRDEEI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XNVUOPFLRRDEEI-UHFFFAOYSA-N",NA,"C1CCN(CC1)CCOC2=CC=C(C=C2)N3C(=O)C4=CC=CC=C4C3=O","XNVUOPFLRRDEEI-UHFFFAOYSA-N",379546,NA,"PDBC54916","664222","Present",NA,NA
+"54917","XPIWZDDRQLUQTO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XPIWZDDRQLUQTO-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C(=O)OC(=N2)C(C(F)(F)F)C(F)(F)F","XPIWZDDRQLUQTO-UHFFFAOYSA-N",389169,NA,"PDBC54917","684853","Present",NA,NA
+"54918","XQGIQRRAXOJYFS-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XQGIQRRAXOJYFS-UHFFFAOYSA-N",NA,"C1CC1C(=O)NC2=C3C(=C(C=C2)NC(=O)C4CC4)C(=O)C5=CC=CC=C5C3=O","XQGIQRRAXOJYFS-UHFFFAOYSA-N",384117,NA,"PDBC54918","673346","Present",NA,NA
+"54919","XQINRAAUAQUQAC-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XQINRAAUAQUQAC-UHFFFAOYSA-N",NA,"CC1CC(=NC2=CC=CC=C2N1)N","XQINRAAUAQUQAC-UHFFFAOYSA-N",397526,NA,"PDBC54919","705835","Present",NA,NA
+"54920","XQRQVHGTKWQPQV-PDGQHHTCSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XQRQVHGTKWQPQV-PDGQHHTCSA-N",NA,"CC1=CC=CC=C1NC(=S)NN=C(C)C2=CC=CC=N2","XQRQVHGTKWQPQV-PDGQHHTCSA-N",5923825,NA,"PDBC54920","668332","Present",NA,NA
+"54921","XR-11576",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XR-11576",NA,"CC(CN(C)C)NC(=O)C1=C2C(=CC=C1)N=C3C=CC4=C(C3=N2)C=CC=C4OC","ACAXGYADTLFREX-CQSZACIVSA-N",9886593,NA,"PDBC54921","754365","Present",NA,NA
+"54922","XR-5944",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XR-5944",NA,"CC1=C2C(=CC=C1)N=C3C=CC=C(C3=N2)C(=O)NCCNCCNCCNC(=O)C4=CC=CC5=NC6=CC=CC(=C6N=C54)C","SFOADSRLCHRTKT-UHFFFAOYSA-N",439035,NA,"PDBC54922","754366","Present",NA,NA
+"54923","XTEFRGALZMWBFT-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XTEFRGALZMWBFT-UHFFFAOYSA-N",NA,"COC1=CC=C(C=C1)N2C(=C(C(=C2N)C#N)C#N)C3=CC=CC=C3","XTEFRGALZMWBFT-UHFFFAOYSA-N",387739,NA,"PDBC54923","681768","Present",NA,NA
+"54924","XYGOTTPSAUZKGN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XYGOTTPSAUZKGN-UHFFFAOYSA-N",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC=N2","XYGOTTPSAUZKGN-UHFFFAOYSA-N",384762,NA,"PDBC54924","675198","Present",NA,NA
+"54925","XZFAEKDEAQZKCN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XZFAEKDEAQZKCN-UHFFFAOYSA-N",NA,"CCNC(C)(C)C(C1=CC=C(C=C1)Br)SS","XZFAEKDEAQZKCN-UHFFFAOYSA-N",313361,NA,"PDBC54925","227265","Present",NA,NA
+"54926","Xanthanone-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Xanthanone-acetic acid",NA,"C1=CC=C2C(=C1)C(=O)C3=CC=CC(=C3O2)CC(=O)O.[Na+]","ZZORMKFCMIXJRD-UHFFFAOYSA-N",18379910,NA,"PDBC54926","677590","Present",NA,NA
+"54927","Xanthatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Xanthatin",NA,"CC1CC2C(CC=C1C=CC(=O)C)C(=C)C(=O)O2","RBRPTFMVULVGIC-SNAWJCMRSA-N",5916519,NA,"PDBC54927","136704","Present",NA,NA
+"54928","Xanthinin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"xanthinin",NA,"CC1CC2C(CC=C1C(CC(=O)C)OC(=O)C)C(=C)C(=O)O2","DPSCQKGSAHTWSP-UHFFFAOYSA-N",160533,NA,"PDBC54928","136705","Present",NA,NA
+"54929","Xanthocycline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"xanthomycin",NA,"CC1(C2CC3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)NCN5CCN(CC5)C(=N)N=C(N)N)N(C)C)O.Cl","BTGFEDVEKZEFQK-SOQZIHGPSA-N",54725160,NA,"PDBC54929","118695","Present",NA,NA
+"54930","Xanthorhamnin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Xanthorhamnin",NA,NA,NA,NA,NA,"PDBC54930","19804","Present",NA,NA
+"54931","Xanthoxyletin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"xanthoxylin n",NA,"CC1(C=CC2=C(O1)C=C3C(=C2OC)C=CC(=O)O3)C","JSJIIHRNDMLJGK-UHFFFAOYSA-N",66548,NA,"PDBC54931","35542","Present",NA,NA
+"54932","Xantocillin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Brevicid",NA,"[C-]#[N+]C(=CC1=CC=C(C=C1)O)C(=CC2=CC=C(C=C2)O)[N+]#[C-]","YBMVKDUTYAGKEW-WHYMJUELSA-N",5378293,NA,"PDBC54932","179485","Present",NA,NA
+"54933","Xestin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Xestin A",NA,"CC=CC=CCCCCCCCCCCCCCC1(C=CC(OO1)CC(=O)OC)OC","JYPVJTWYQWZBBU-YTXTXJHMSA-N",5354046,NA,"PDBC54933","647638","Present",NA,NA
+"54934","Xestin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Xestin B",NA,"CC=CC=CCCCCCCCCCCCCCC1(C=CC(OO1)CC(=O)OC)OC","JYPVJTWYQWZBBU-YLXCLEQCSA-N",5467171,NA,"PDBC54934","647639","Present",NA,NA
+"54935","Xestoquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Xestoquinone",NA,"CC12CCCC3=COC(=C31)C(=O)C4=C2C=C5C(=O)C=CC(=O)C5=C4","HDONDRKCXFRHQQ-FQEVSTJZSA-N",122838,NA,"PDBC54935","643406","Present",NA,NA
+"54936","Ximenynic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"santalbic acid",NA,"CCCCCCC=CC#CCCCCCCCC(=O)O","VENIIVIRETXKSV-BQYQJAHWSA-N",5312688,NA,"PDBC54936","252625","Present",NA,NA
+"54937","Xyloccensin K",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Xyloccensin K",NA,"CC1(C(C2(C3CCC4(C(OC(=O)CC4(C35CC(C1O5)C2=O)O)C6=COC=C6)C)C)CC(=O)OC)C","OQQDWKJSAQRSAX-GXXYURFWSA-N",6712460,NA,"PDBC54937","688729","Present",NA,NA
+"54938","Xylostasin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ribastamin///Xylostasin",NA,"C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3C(C(C(O3)CO)O)O)O)N","NSKGQURZWSPSBC-UHFFFAOYSA-N",5066,NA,"PDBC54938","138925///236658","Present",NA,NA
+"54939","YB1PP1M8P8",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YB1PP1M8P8",NA,"COC1=CC(=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC","ADBLJUDPXDJMMK-UHFFFAOYSA-N",251114,NA,"PDBC54939","71302","Present",NA,NA
+"54940","YCRKBDKRIPQYHN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YCRKBDKRIPQYHN-UHFFFAOYSA-N",NA,"COC1(CC(C1)(CNC2=CC(=NC(=N2)N)Cl)CO)OC","YCRKBDKRIPQYHN-UHFFFAOYSA-N",385228,NA,"PDBC54940","676341","Present",NA,NA
+"54941","YEGRPPXXLNIGRK-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YEGRPPXXLNIGRK-UHFFFAOYSA-N",NA,"COC(=O)CC1=CC(=O)NC2=C1C(=O)CCC2","YEGRPPXXLNIGRK-UHFFFAOYSA-N",363122,NA,"PDBC54941","627690","Present",NA,NA
+"54942","YFLJDQVSXQDXCY-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YFLJDQVSXQDXCY-UHFFFAOYSA-N",NA,"CC1=C(N(C2=NC(=O)NC(=O)C2=N1)CCO)C","YFLJDQVSXQDXCY-UHFFFAOYSA-N",387294,NA,"PDBC54942","680988","Present",NA,NA
+"54943","YGQANBCTQPYFME-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YGQANBCTQPYFME-UHFFFAOYSA-N",NA,"CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(C=C2)OC","YGQANBCTQPYFME-UHFFFAOYSA-N",384761,NA,"PDBC54943","675197","Present",NA,NA
+"54944","YLUDELKUKHQCMC-UHFFFAOYSA-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YLUDELKUKHQCMC-UHFFFAOYSA-",NA,"CCN1C2=C(C=CC(=C2)O)C3=C(C1=O)C4=C(O3)C=C(C=C4)O","YLUDELKUKHQCMC-UHFFFAOYSA-N",5465650,NA,"PDBC54944","658208","Present",NA,NA
+"54945","YPGGUVZHSVAUCQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YPGGUVZHSVAUCQ-UHFFFAOYSA-N",NA,"CC(C)(C)N1C(C1C(=O)C2=CC=CC=C2)C3=CC=CC=C3","YPGGUVZHSVAUCQ-UHFFFAOYSA-N",358992,NA,"PDBC54945","619199","Present",NA,NA
+"54946","YPMUDXXNPCPBIN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YPMUDXXNPCPBIN-UHFFFAOYSA-N",NA,"CCCN(CCC)C1CCC2=C(C1)C=CC3=C2NC=C3","YPMUDXXNPCPBIN-UHFFFAOYSA-N",391101,NA,"PDBC54946","689719","Present",NA,NA
+"54947","YPQYPYHZSJNTAV-XNTDXEJSSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YPQYPYHZSJNTAV-XNTDXEJSSA-N",NA,"COC(=O)C1=CC=C(C=C1)C=C2CC3=CC=CC=C3C2=O","YPQYPYHZSJNTAV-XNTDXEJSSA-N",1550271,NA,"PDBC54947","660228","Present",NA,NA
+"54948","YQDYZPHMROBRNT-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YQDYZPHMROBRNT-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)C2C3(O2)C4=CC=CC=C4C(=O)O3","YQDYZPHMROBRNT-UHFFFAOYSA-N",374225,NA,"PDBC54948","651715","Present",NA,NA
+"54949","YQLPFERSLGJEMU-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YQLPFERSLGJEMU-UHFFFAOYSA-N",NA,"CCCCCC(CCCCC)(CCCCCCCCC1=C(C2=C(C=CC(=O)N2)C(=O)C1=O)O)O","PNLAMCKHYXAFMJ-UHFFFAOYSA-N",275311,NA,"PDBC54949","122057","Present",NA,NA
+"54950","YS-822A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YS-822A",NA,"CC1C(C(C(C(O1)OC2CC3C(C(CC(O3)(CC(CC(C(CCC(=O)OC(CCCC=CC=CC=CC=C2)C(C)C)O)O)O)O)O)C(=O)O)O)N)O","HCAJMOSNTHQEGE-VYXFTXMVSA-N",5466947,NA,"PDBC54950","645797","Present",NA,NA
+"54951","YTGBBHOCDKGLED-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YTGBBHOCDKGLED-UHFFFAOYSA-N",NA,"CC1CCC(C(=O)C1)C(C)(C)C2=CC=CC=C2","YTGBBHOCDKGLED-UHFFFAOYSA-N",359304,NA,"PDBC54951","620054","Present",NA,NA
+"54952","YTSZWYKKYYULHX-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YTSZWYKKYYULHX-UHFFFAOYSA-N",NA,"CC(C1=CC2=C(S1)C(=O)C3=C(C2=O)SC=C3C(C)OC(=O)C)OC(=O)C","YTSZWYKKYYULHX-UHFFFAOYSA-N",376543,NA,"PDBC54952","657548","Present",NA,NA
+"54953","YTTXZJYFAKWCAE-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YTTXZJYFAKWCAE-UHFFFAOYSA-N",NA,"CC(C)(C)OC(=O)NC(CO)C1=CC(=CC=C1)OCC2=CC=CC=C2","YTTXZJYFAKWCAE-UHFFFAOYSA-N",357738,NA,"PDBC54953","617257","Present",NA,NA
+"54954","Yangonin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Yangonin",NA,"COC1=CC=C(C=C1)C=CC2=CC(=CC(=O)O2)OC","XLHIYUYCSMZCCC-VMPITWQZSA-N",5281575,NA,"PDBC54954","212502","Present",NA,NA
+"54955","Yieldene malononitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"yieldene malononitrile",NA,"C1COC2=C(C1=C(C#N)C#N)C=C(C=C2)F","SZLMFXYGKQPTOK-UHFFFAOYSA-N",11528605,NA,"PDBC54955","731294","Present",NA,NA
+"54956","Yliedene dicyano",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Yliedene dicyano",NA,"C1CC(=C(C#N)C#N)C2=C(C3=CC=CC=C3C=C2)OC1","PPYZPBCYWRPKIM-UHFFFAOYSA-N",406495,NA,"PDBC54956","724622","Present",NA,NA
+"54957","Yohimbinesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Yohimbinesulfonic acid",NA,"COC(=O)C1C(CCC2C1CC3C4=C(CCN3C2)C5=CC=CC=C5N4)OS(=O)(=O)O","XBZJQPNSUUABAM-UHFFFAOYSA-N",275186,NA,"PDBC54957","121855","Present",NA,NA
+"54958","Yuanhuacin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"From Gnidia",NA,"CCCCCC=CC=CC12OC3C4C5C(O5)(C(C6(C(C4(O1)C(C(C3(O2)C(=C)C)OC(=O)C7=CC=CC=C7)C)C=C(C6=O)C)O)O)CO","CGSGRJNIABXQJQ-CAAOHEDASA-N",6440205,NA,"PDBC54958","270919","Present",NA,NA
+"54959","Yuccaol A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Yuccaol A",NA,"C1=CC(=CC(=C1)O)C2C3(C4=C(C=C(C=C4O2)O)O)C5=C(C=C(C=C5OC3=O)O)C=CC6=CC=C(C=C6)O","KGEBEOHZPNIDOO-LEZGXDNXSA-N",5472643,NA,"PDBC54959","720592","Present",NA,NA
+"54960","Yuccaol C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Yuccaol C",NA,"COC1=C(C=C(C=C1O)C=CC2=C3C(=CC(=C2)O)OC(=O)C34C(OC5=CC(=CC(=C45)O)O)C6=CC(=CC=C6)O)O","KHGBPZCKVUBCGO-FMWPOBPCSA-N",5472642,NA,"PDBC54960","720591","Present",NA,NA
+"54961","Yuzurimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"YUZURIMINE",NA,"CC1CN2CC3CCC4=C5C(CC4)C(CC56C3(C(CC1C62O)OC(=O)C)COC(=O)C)C(=O)OC","PCARXYHNISKVGD-UHFFFAOYSA-N",431853,NA,"PDBC54961","299118","Present",NA,NA
+"54962","Yvckuiyfoooqja-vxxwiwkdsa-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Bipinnatolide-E",NA,"CC1=CC(=O)CC(=C)C2(C(C(CC(O2)C34C(O3)C(C1)OC4=O)C(=C)C)O)O","YVCKUIYFOOOQJA-VXXWIWKDSA-N",5470494,NA,"PDBC54962","702310","Present",NA,NA
+"54963","Z(OMe)-Gly-Ala-Phe-OBzl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z(OMe)-Gly-D-Ala-Phe-OBzl///Z(OMe)-Gly-Ala-Phe-OBzl",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CNC(=O)OCC3=CC=C(C=C3)OC","CRXSREULUSVSDD-UHFFFAOYSA-N",386870,NA,"PDBC54963","679684///679685","Present",NA,NA
+"54964","Z-alpha-Chlorochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z-.alpha.-Chlorochalcone",NA,"C1=CC=C(C=C1)C=C(C(=O)C2=CC=CC=C2)Cl","QVJBOBWETDUBFS-KAMYIIQDSA-N",5470324,NA,"PDBC54964","699680","Present",NA,NA
+"54965","Z1070379994",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z1070379994",NA,"C1=CC=C2C(=C1)N=NN2C3=C(C=NC=C3)[N+](=O)[O-]","FPSSUUZYVJXKOZ-UHFFFAOYSA-N",357341,NA,"PDBC54965","615610","Present",NA,NA
+"54966","Z127088300",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z127088300",NA,"CC1=CC2=C(C=C1)N=C(N2)SC3=C(N=CN3C)[N+](=O)[O-]","XHKQXEHCPHPPSO-UHFFFAOYSA-N",364602,NA,"PDBC54966","631130","Present",NA,NA
+"54967","Z18027384",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z18027384",NA,"C1=CC=C2C(=C1)C(=NNC2=O)CC(=O)OCC3=C(C=CC=C3Cl)Cl","WGKXQPOQQCWYHH-UHFFFAOYSA-N",2466498,NA,"PDBC54967","744206","Present",NA,NA
+"54968","Z18701173",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z18701173",NA,"C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC(=C3)C(=O)OCC(=O)NC4=C(C=CS4)C#N","WMQPNIKYHUHYQK-UHFFFAOYSA-N",4603586,NA,"PDBC54968","743402","Present",NA,NA
+"54969","Z19645465",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z19645465",NA,"CCOC(=O)C1=C(SC(=C1C)C(=O)N(C)C)NC(=O)COC2=CC=CC3=C2N=CC=C3","NSORGUZKYAONLA-UHFFFAOYSA-N",16251008,NA,"PDBC54969","743404","Present",NA,NA
+"54970","Z198955462",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z198955462",NA,"C1COCCN1S(=O)(=O)C2=CC=C(C=C2)N=C3NN=C(CS3)C4=CNC5=CC=CC=C54","UXMAOGVQRDBCLR-UHFFFAOYSA-N",135528004,NA,"PDBC54970","744178","Present",NA,NA
+"54971","Z2010009871",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z2010009871",NA,"C1OC2=C(O1)C=C3C(=C2)C(OC3=O)O","OMWWLAWOSZODOO-UHFFFAOYSA-N",359572,NA,"PDBC54971","620563","Present",NA,NA
+"54972","Z220352210",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z220352210",NA,"COC(=O)CCC(=O)C1=CC2=C(CCC2)C=C1","DPLXGTDPNMHXSC-UHFFFAOYSA-N",382785,NA,"PDBC54972","670463","Present",NA,NA
+"54973","Z223639760",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z223639760",NA,"C1=CC=C(C=C1)S(=O)(=O)C2=C(N(C3=NC(=C(N=C23)C#N)C#N)CC4=CN=CC=C4)N","VWVDIYNBWCHBQY-UHFFFAOYSA-N",17549909,NA,"PDBC54973","743265","Present",NA,NA
+"54974","Z223639762",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z223639762",NA,"CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CCCN5CCOCC5)N","MLSKKZILDUZBJG-UHFFFAOYSA-N",17549910,NA,"PDBC54974","743268","Present",NA,NA
+"54975","Z223639772",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z223639772",NA,"COC1=CC=C(C=C1)CN2C(=O)C(=C(C2=O)Cl)NC3=CC=CC(=C3)C(F)(F)F","GFDIWNLTCFQFEQ-UHFFFAOYSA-N",17549914,NA,"PDBC54975","743271","Present",NA,NA
+"54976","Z223639776",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z223639776",NA,"C1COCCN1CCCN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)N","ISUHBEGRNWBKBD-UHFFFAOYSA-N",17549916,NA,"PDBC54976","743264","Present",NA,NA
+"54977","Z223639778",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z223639778",NA,"CN1C2=CC=CC=C2N=C1C3=C(N(C4=NC(=C(N=C34)C#N)C#N)CC5=CC=C(C=C5)C(F)(F)F)N","FTLMVQWOFAXZDB-UHFFFAOYSA-N",17549917,NA,"PDBC54977","743269","Present",NA,NA
+"54978","Z2418194164",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z2418194164",NA,"CCC1=NNC(=O)N1CC","UEUMMYRZUZKMRI-UHFFFAOYSA-N",104346,NA,"PDBC54978","680859","Present",NA,NA
+"54979","Z24759926",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z24759926",NA,"CCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C","UNFLXUQOQCPFDD-UHFFFAOYSA-N",4853660,NA,"PDBC54979","743408","Present",NA,NA
+"54980","Z25095218",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z25095218",NA,"C1CN(CCN1C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl","PPGLIJQOJMOLCS-UHFFFAOYSA-N",371321,NA,"PDBC54980","645395","Present",NA,NA
+"54981","Z26357397",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z26357397",NA,"COC1=CC=CC=C1OCC(=O)NC2=C(C3=C(S2)CCC3)C(=O)N","MCHVPHDEUATDHC-UHFFFAOYSA-N",2078783,NA,"PDBC54981","744144","Present",NA,NA
+"54982","Z27665932",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z27665932",NA,"CN(CC(=O)NC1=NC2=CC=CC=C2N1)S(=O)(=O)C3=CC=C(C=C3)Cl","ZCKDUZKSAPPHOM-UHFFFAOYSA-N",2079923,NA,"PDBC54982","744145","Present",NA,NA
+"54983","Z285756890",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z285756890",NA,"C1CC2=C(C1)C=C(C=C2)NC3=CC(=NC(=N3)N)Cl","GAHWHLIVMWNYLW-UHFFFAOYSA-N",389507,NA,"PDBC54983","685793","Present",NA,NA
+"54984","Z28714792",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z28714792",NA,"CN(C)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)F)F","IPEUMJHGZDEHOI-UHFFFAOYSA-N",2671841,NA,"PDBC54984","746248","Present",NA,NA
+"54985","Z29325634",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z29325634",NA,"CC1=CN=C(S1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3","MHIQLGJPMZNFJQ-UHFFFAOYSA-N",3955158,NA,"PDBC54985","744152","Present",NA,NA
+"54986","Z29651365",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z29651365",NA,"C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=NC(=CS3)C4=CNC5=CC=CC=C54","KXVUCPXFLZZARK-UHFFFAOYSA-N",2594324,NA,"PDBC54986","744209","Present",NA,NA
+"54987","Z324814354",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z324814354",NA,"C1CCN(CC1)CCN2C3=CC=CC=C3OC2=O","TXACIQGUKJSIDI-UHFFFAOYSA-N",14633,NA,"PDBC54987","690663","Present",NA,NA
+"54988","Z3317",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z3317",NA,"COC1=C(C=C(C=C1)CCNC(=O)CC2=CC=CC=C2CO)OC","UBPACCQIVAYDGD-UHFFFAOYSA-N",390031,NA,"PDBC54988","686946","Present",NA,NA
+"54989","Z357940020",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z357940020",NA,"C1=C(N=C(N=C1Cl)N)NCCCNC2=CC(=NC(=N2)N)Cl","IRALZZANDSGMIK-UHFFFAOYSA-N",358987,NA,"PDBC54989","619194","Present",NA,NA
+"54990","Z372962506",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z372962506",NA,"CN(C)CCCNC1=NC=NC2=C1NC=N2","XPGRGGGJIBQROV-UHFFFAOYSA-N",3246079,NA,"PDBC54990","19097","Present",NA,NA
+"54991","Z44584405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z44584405",NA,"C1=CC(=CC(=C1)Cl)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)Cl","MHXLSLNJOSVEGO-UHFFFAOYSA-N",266474,NA,"PDBC54991","104498","Present",NA,NA
+"54992","Z44602764",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z44602764",NA,"CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)NC2=CC=C(C=C2)Cl","SKAIZFCFXOJRNO-UHFFFAOYSA-N",381837,NA,"PDBC54992","668910","Present",NA,NA
+"54993","Z44893431",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z44893431",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)NC3=CC=CC=C3Cl","GYDJAIGSHYMAKI-UHFFFAOYSA-N",3005057,NA,"PDBC54993","668497","Present",NA,NA
+"54994","Z48834172",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z48834172",NA,"C1CN=C(N1)SCC2=CC(=C(C=C2)Cl)Cl.Cl","IJZBKEJUONYDFB-UHFFFAOYSA-N",5351706,NA,"PDBC54994","23478","Present",NA,NA
+"54995","Z48861686",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z48861686",NA,"CCOC1=CC=C(C=C1)NC2=NC(=CS2)C3=CC4=C(C=C3)OCC(=O)N4","SDJLGERYFCLGOP-UHFFFAOYSA-N",4784054,NA,"PDBC54995","745813","Present",NA,NA
+"54996","Z48958610",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z48958610",NA,"COC1=C(C=C(C=C1)N=C2NN=C(CS2)C3=CNC4=CC=CC=C43)OC","JXIGFRJLSMOSLQ-UHFFFAOYSA-N",135543484,NA,"PDBC54996","746005","Present",NA,NA
+"54997","Z48964407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z48964407",NA,"CC1=CC=C(C=C1)NC(=O)CC2C(=O)NC(=NCC=C)S2","ZWVXUTXSBVVOKF-UHFFFAOYSA-N",135416192,NA,"PDBC54997","631562","Present",NA,NA
+"54998","Z48978407",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z48978407",NA,"C1=CC=C2C(=C1)C(=O)NC(N2)C3=C(C=CC=C3Cl)Cl","XNEJBORZTLAGGQ-UHFFFAOYSA-N",292562,NA,"PDBC54998","158391","Present",NA,NA
+"54999","Z49571350",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z49571350",NA,"C1=CC=C(C(=C1)N=NC2=C(NC3=C2C=C(C=C3)Br)O)[N+](=O)[O-]","NWANKNAIZXGDQI-UHFFFAOYSA-N",3718835,NA,"PDBC54999","117194","Present",NA,NA
+"55000","Z52868488",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z52868488",NA,"CCCN1C(=C(C(=O)NC1=O)C(=O)CNC2=CC=C(C=C2)I)N","GRJMBYQHYGVQRV-UHFFFAOYSA-N",4806509,NA,"PDBC55000","746351","Present",NA,NA
+"55001","Z54338316",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z54338316",NA,"CC(C)SC1=NC2=C(O1)C=CC(=C2)S(=O)(=O)NC3=CC=CC=C3OC","NERFMAHVMVRHGE-UHFFFAOYSA-N",2339468,NA,"PDBC55001","744143","Present",NA,NA
+"55002","Z54581697",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z54581697",NA,"C1=CC=C2C(=C1)NC(=N2)SCC3=CC=C(C=C3)C(=O)O","HSDSEYKDYSEFBN-UHFFFAOYSA-N",4992159,NA,"PDBC55002","778591","Present",NA,NA
+"55003","Z55430962",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z55430962",NA,"C1CC(OC1)CN2CC(=C(C2=N)C3=NC(=CS3)C4=CC=C(C=C4)Br)O","LLUVKQYPJCHGAO-UHFFFAOYSA-N",135452249,NA,"PDBC55003","743272","Present",NA,NA
+"55004","Z55544497",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z55544497",NA,"CCN(CC)CCN1CC(=C(C1=N)C2=NC(=CS2)C3=CC=C(C=C3)Cl)O","NIOKLBPYEXLZSR-UHFFFAOYSA-N",135467343,NA,"PDBC55004","743279","Present",NA,NA
+"55005","Z55545006",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z55545006",NA,"C1C(=C(C(=N)N1CC2=CN=CC=C2)C3=NC(=CS3)C4=CC=C(C=C4)Br)O","ZFHSHYZRGTYVBX-UHFFFAOYSA-N",135521118,NA,"PDBC55005","743274","Present",NA,NA
+"55006","Z56768957",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z56768957",NA,"C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=CN=C4","MAIPCAOTPKHYEC-UHFFFAOYSA-N",389584,NA,"PDBC55006","685889","Present",NA,NA
+"55007","Z56788531",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z56788531",NA,"CN(C)S(=O)(=O)C1=CC=CC(=C1)C2=NC3=C(C4=C(S3)CCCC4)C(=O)N2","APCDZELYRQSAJA-UHFFFAOYSA-N",2320501,NA,"PDBC55007","744096","Present",NA,NA
+"55008","Z56789548",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z56789548",NA,"C1=CC=C2C(=C1)NC3=C(C(=O)C4=C(N23)N=CC=C4)C#N","LDVXHYQUSLZXER-UHFFFAOYSA-N",391672,NA,"PDBC55008","691214","Present",NA,NA
+"55009","Z56789550",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z56789550",NA,"CN1C2=CC=CC=C2N3C1=C(C4=C(C3=O)C=CC=N4)C#N","RHFAFQNOTSBJLW-UHFFFAOYSA-N",395239,NA,"PDBC55009","699714","Present",NA,NA
+"55010","Z56789810",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z56789810",NA,"C1=CC=C2C(=C1)N3C(=C(C4=C(C3=O)C=C(C=C4)[N+](=O)[O-])C#N)S2","SCGDLBXJDMTNLP-UHFFFAOYSA-N",391668,NA,"PDBC55010","691210","Present",NA,NA
+"55011","Z56791594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z56791594",NA,"COC1=CC2=C(C=C1)C3(C(=O)C4=CC=CC=C4C3(N2)O)O","ZCJFNNGFDOCUAI-UHFFFAOYSA-N",368305,NA,"PDBC55011","638853","Present",NA,NA
+"55012","Z56879010",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z56879010",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=NNC(=C2)C3=C(C=CC(=C3)Br)O","MIYNNLULSJIJKK-UHFFFAOYSA-N",3630701,NA,"PDBC55012","744239","Present",NA,NA
+"55013","Z99600124",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Z99600124",NA,"C1=CC(=CC(=C1)Cl)NN2C(=C(C3=NC(=C(N=C32)C#N)C#N)S(=O)(=O)C4=CC=C(C=C4)Cl)N","CQHPWGQQERADRN-UHFFFAOYSA-N",1640087,NA,"PDBC55013","743267","Present",NA,NA
+"55014","ZB0703",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZB0703",NA,"CC1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)Cl","BMIYQLIZIPDXAS-UHFFFAOYSA-N",360325,NA,"PDBC55014","622373","Present",NA,NA
+"55015","ZCDLHLFXGSSDLO-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZCDLHLFXGSSDLO-UHFFFAOYSA-N",NA,"C=CCSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CO3","ZCDLHLFXGSSDLO-UHFFFAOYSA-N",331177,NA,"PDBC55015","321518","Present",NA,NA
+"55016","ZD 7288",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZD",NA,NA,"CCN(C1=CC=CC=C1)C2=CC(=NC)N(C(=N2)C)C.Cl","DUWKUHWHTPRMAP-UHFFFAOYSA-N",123983,NA,"PDBC55016",NA,"Absent",NA,NA
+"55017","ZEXNAJYBXQZTRQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZEXNAJYBXQZTRQ-UHFFFAOYSA-N",NA,"C1CC(C1)(CNC2=NC(=NC=C2)N)CO","ZEXNAJYBXQZTRQ-UHFFFAOYSA-N",385194,NA,"PDBC55017","676309","Present",NA,NA
+"55018","ZEZNXEJCMWBVFC-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZEZNXEJCMWBVFC-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)C2=C(C(=O)C(=O)NN2C3=CC=CC=C3)C(=O)C4=CC=CC=C4","ZEZNXEJCMWBVFC-UHFFFAOYSA-N",404272,NA,"PDBC55018","720450","Present",NA,NA
+"55019","ZKEMHJQBTVPBJU-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZKEMHJQBTVPBJU-UHFFFAOYSA-N",NA,"CCOC(=O)C(C(F)(F)F)(NC1=CC=C(C=C1)S(=O)(=O)NC2=NOC(=C2)C)NC(=O)C3=CC(=CC=C3)Cl","ZKEMHJQBTVPBJU-UHFFFAOYSA-N",389136,NA,"PDBC55019","684821","Present",NA,NA
+"55020","ZNEVPUCBRGFKFM-IBGZPJMESA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZNEVPUCBRGFKFM-IBGZPJMESA-N",NA,"COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCCC5C(=O)O)OCO4","ZNEVPUCBRGFKFM-IBGZPJMESA-N",24205677,NA,"PDBC55020","736372","Present",NA,NA
+"55021","ZSUDSCKIBFDILN-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZSUDSCKIBFDILN-UHFFFAOYSA-N",NA,"CC1=CC=C(C=C1)C2=C(C(=O)C(=C2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C)C5=CC=C(C=C5)C","ZSUDSCKIBFDILN-UHFFFAOYSA-N",370270,NA,"PDBC55021","643048","Present",NA,NA
+"55022","ZUDDQEGWGGRBFB-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZUDDQEGWGGRBFB-UHFFFAOYSA-N",NA,"C1=CC=C2C(=C1)C3C(=O)C4=CC=CC=C4C3(C2=O)Br","ZUDDQEGWGGRBFB-UHFFFAOYSA-N",361800,NA,"PDBC55022","625120","Present",NA,NA
+"55023","ZVMZHROEWYWOJY-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZVMZHROEWYWOJY-UHFFFAOYSA-N",NA,"C1CCN(CC1)CCN2C=NC3=C(C2=O)C=CC=N3","ZVMZHROEWYWOJY-UHFFFAOYSA-N",360818,NA,"PDBC55023","623235","Present",NA,NA
+"55024","ZWPLFWZKNKBVOQ-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZWPLFWZKNKBVOQ-UHFFFAOYSA-N",NA,"CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC(=CC=C1)Cl)N2CCN(CC2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F","ZWPLFWZKNKBVOQ-UHFFFAOYSA-N",384772,NA,"PDBC55024","675208","Present",NA,NA
+"55025","ZWX6M6AF6L",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZWX6M6AF6L",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)CC3=CC=CC=C3)[N+](=O)[O-]","AGEVNTXDTUYAHG-UHFFFAOYSA-N",343093,NA,"PDBC55025","382046","Present",NA,NA
+"55026","ZWYAOVQOEZSEGI-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZWYAOVQOEZSEGI-UHFFFAOYSA-N",NA,"C1CC(C1)(CNC2=NC(=NC=C2Br)N)CO","ZWYAOVQOEZSEGI-UHFFFAOYSA-N",385198,NA,"PDBC55026","676312","Present",NA,NA
+"55027","ZX-AL000071",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AL000071",NA,"CC1(C2CCC1(C(=O)C2)C(=O)OC)C","RVNZADBGUKKLTO-UHFFFAOYSA-N",373311,NA,"PDBC55027","649457","Present",NA,NA
+"55028","ZX-AP010086",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP010086",NA,"C1=CC=C2C(=C1)C(=CC3=C(ON=C23)C(F)(F)F)C(=O)C(F)(F)F","KEBWDNXYMFJTRK-UHFFFAOYSA-N",372107,NA,"PDBC55028","646981","Present",NA,NA
+"55029","ZX-AP010477",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP010477",NA,NA,NA,NA,NA,"PDBC55029","664861","Present",NA,NA
+"55030","ZX-AP012572",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP012572",NA,"C1=CC(=CC(=C1)N=CC2=C(C=CC(=C2)Br)O)C(F)(F)F","HZEUNSTWVBILMM-UHFFFAOYSA-N",305092,NA,"PDBC55030","201835","Present",NA,NA
+"55031","ZX-AP012793",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP012793",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OC(C)C)OC(C)C","XQJCWEVWMDLRKO-UHFFFAOYSA-N",382493,NA,"PDBC55031","670099","Present",NA,NA
+"55032","ZX-AP012794",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP012794",NA,"CCOC(=O)C(C(=O)OCC)C(C(F)(F)F)(C(F)(F)F)NC(=O)OCC","LXVWXEZZBPHFJH-UHFFFAOYSA-N",383568,NA,"PDBC55032","671986","Present",NA,NA
+"55033","ZX-AP012852",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP012852",NA,"C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=NOC(=O)NC(=C(Cl)Cl)Cl)N","ZHZVXZUMWRUFRR-UHFFFAOYSA-N",9555545,NA,"PDBC55033","339606","Present",NA,NA
+"55034","ZX-AP013443",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AP013443",NA,"CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C","VNGFAWSISVJGAU-UHFFFAOYSA-N",383545,NA,"PDBC55034","671963","Present",NA,NA
+"55035","ZX-AT000818",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT000818",NA,"CC1(COC(=N1)C2=CC=C(C=C2)OC)C","HQVCWVGSZXODRW-UHFFFAOYSA-N",359337,NA,"PDBC55035","620123","Present",NA,NA
+"55036","ZX-AT016287",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT016287",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=C(C=C(C=C2)Cl)Cl)Cl","KMHFPKWODSHRBC-VMPITWQZSA-N",5388424,NA,"PDBC55036","635959","Present",NA,NA
+"55037","ZX-AT020921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT020921",NA,"CC1=CC2=C(CCC3=[N+](ON=C32)[O-])N=N1","KKRFMRZKDXIDQT-UHFFFAOYSA-N",382421,NA,"PDBC55037","669984","Present",NA,NA
+"55038","ZX-AT022833",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT022833",NA,"C1=CSC=C1C=CC(=O)C2=CSC=C2","AVXNUVHHGJELRS-OWOJBTEDSA-N",5467682,NA,"PDBC55038","657757","Present",NA,NA
+"55039","ZX-AT024405",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT024405",NA,"C[N+](C)(CC1=CSC(=N1)C2=CC=C(C=C2)Cl)N.[Cl-]","PSMDPOIVAIJXHA-UHFFFAOYSA-M",2776784,NA,"PDBC55039","321489","Present",NA,NA
+"55040","ZX-AT024422",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT024422",NA,"C1C2=C(C(=CC(=C2)Cl)CSC3=CC=CC=C3NC(=O)CCl)OCO1","IANNOCKBDJSXHQ-UHFFFAOYSA-N",331159,NA,"PDBC55040","321494","Present",NA,NA
+"55041","ZX-AT026688",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT026688",NA,"C1=CC=C(C=C1)C2=C(C(=O)C(C(=O)N2C3=CC=CC=C3)(C4=CC=CC=C4)N=[N+]=[N-])Cl","LJCSWOKTCLISLU-UHFFFAOYSA-N",374158,NA,"PDBC55041","651615","Present",NA,NA
+"55042","ZX-AT026689",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT026689",NA,"C1CC2=C3C(=CC=C2)C(=CC(=O)N3C1)N=[N+]=[N-]","LRWNORLHUYWPME-UHFFFAOYSA-N",375223,NA,"PDBC55042","654617","Present",NA,NA
+"55043","ZX-AT026921",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT026921",NA,"C1=CC=C(C(=C1)C=CC(=O)C2=CC=CC=C2Cl)O","GJHOECHVMHCVTK-MDZDMXLPSA-N",5709429,NA,"PDBC55043","637687","Present",NA,NA
+"55044","ZX-AT026954",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT026954",NA,"C1=CC=C2C(=C1)C=CC=C2C(=O)C=CC3=CC=CC=C3Cl","VCEPBNDYZZBYQS-OUKQBFOZSA-N",5377479,NA,"PDBC55044","640530","Present",NA,NA
+"55045","ZX-AT027468",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT027468",NA,"C1C2CC3CC1CC(C2)(C3)C4=NNC(=S)N4N","SBMKCHWGSHDOJU-UHFFFAOYSA-N",2794848,NA,"PDBC55045","665952","Present",NA,NA
+"55046","ZX-AT027856",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT027856",NA,"CC(C)(C=NO)[N+](=CC1=CC=CC=C1)[O-]","ILQZGEKYGSPTGA-OYQWPQAFSA-N",5338880,NA,"PDBC55046","663922","Present",NA,NA
+"55047","ZX-AT027945",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT027945",NA,"C1=CC(=C2C(=C1O)C3(C(=C(C2(C3(Cl)Cl)Cl)Cl)Cl)Cl)O","HGWPFZAIXJHLBN-UHFFFAOYSA-N",228946,NA,"PDBC55047","22203","Present",NA,NA
+"55048","ZX-AT028105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT028105",NA,"C1=CC=C(C(=C1)C(=O)C=CC2=CN=CC=C2)O","CRWNZUBUBIULHB-BQYQJAHWSA-N",5356048,NA,"PDBC55048","49652","Present",NA,NA
+"55049","ZX-AT028139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT028139",NA,"C1=CSC(=C1)C=CC(=O)C2=CC=C(C=C2)Cl","JOYGXTIHTHBSOA-BQYQJAHWSA-N",5376057,NA,"PDBC55049","657746","Present",NA,NA
+"55050","ZX-AT028156",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT028156",NA,"C1=CC(=CC=C1C(=O)C=CC2=CSC=C2)Cl","LLNOMBQBEKFPFK-LZCJLJQNSA-N",5467679,NA,"PDBC55050","657750","Present",NA,NA
+"55051","ZX-AT028159",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT028159",NA,"CC1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]","SGCDUQWVNMXCOR-JXMROGBWSA-N",5712222,NA,"PDBC55051","640537","Present",NA,NA
+"55052","ZX-AT028184",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-AT028184",NA,"C1=CC(=CC=C1C=CC(=O)C2=CC=C(S2)Cl)Cl","NIHJQGCDODCOQA-ZZXKWVIFSA-N",5467680,NA,"PDBC55052","657751","Present",NA,NA
+"55053","ZX-CM015395",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-CM015395",NA,"C(CC1=NON=C1C(=O)O)CN","VQSAOMMZQDDRTG-UHFFFAOYSA-N",379410,NA,"PDBC55053","663952","Present",NA,NA
+"55054","ZX-CM016862",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZX-CM016862",NA,"C1=COC(=C1)C2=NC(=NN2)SCC(=O)O","DRKDHTIUTZPSCI-UHFFFAOYSA-N",366158,NA,"PDBC55054","634485","Present",NA,NA
+"55055","ZXOIMDYNUBPEPD-UHFFFAOYSA-N",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ZXOIMDYNUBPEPD-UHFFFAOYSA-N",NA,"C1=CC=C(C=C1)C2=NC(=O)NC(=C2)C3=CC=CC=C3O","ZXOIMDYNUBPEPD-UHFFFAOYSA-N",359843,NA,"PDBC55055","621453","Present",NA,NA
+"55056","Zaluzanin C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zaluzanin C",NA,"C=C1CCC2C(C3C1CC(C3=C)O)OC(=O)C2=C","XFVLNEYIZGZDHP-UHFFFAOYSA-N",425954,NA,"PDBC55056","177851","Present",NA,NA
+"55057","Zanubrutinib",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC823807",NA,"C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)N","RNOAOAWBMHREKO-QFIPXVFZSA-N",135565884,NA,"PDBC55057","823807","Present",NA,NA
+"55058","Zedelan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zedelan",NA,"C(=CNC(=O)C=NO)C(=O)N","QSQKMLSXKVSYMJ-PKTZTGOHSA-N",6399401,NA,"PDBC55058","85680","Present",NA,NA
+"55059","Zexbrevin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zexbrevin",NA,"CC1CC2C(C(CC3(C(=O)C=C1O3)C)OC(=O)C(=C)C)C(=C)C(=O)O2","KYTKEOOPALLADL-UHFFFAOYSA-N",331148,NA,"PDBC55059","321477","Present",NA,NA
+"55060","Zimelidine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zimelidine hydrochloride",NA,"CN(C)CC=C(C1=CC=C(C=C1)Br)C2=CN=CC=C2.Cl","GELMUARXROJGSO-LFMIJCLESA-N",22313112,NA,"PDBC55060","305352","Present",NA,NA
+"55061","Zinc pyrithione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc pyrithione",NA,NA,NA,NA,NA,"PDBC55061","68093","Present",NA,NA
+"55062","Zinc tetraphenylporphyrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640185",NA,"C1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=CC=C7)C8=CC=CC=C8)C=C4)C9=CC=CC=C9)[N-]3.[Zn+2]","XPVVGUHKLPZAEN-UHFFFAOYSA-N",368849,NA,"PDBC55062","640185","Present",NA,NA
+"55063","Zinc(2+),N'-bis(2-chloroethyl)-1,2-ethanediamine-N,N']-, diperchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc(2+), bis[N,N'-bis(2-chloroethyl)-1,2-ethanediamine-...",NA,"C(C[N-]CCCl)[N-]CCCl.C(C[N-]CCCl)[N-]CCCl.OCl(=O)(=O)=O.[Zn+2]","RESLVOOERZMVDZ-UHFFFAOYSA-N",54600336,NA,"PDBC55063","161148","Present",NA,NA
+"55064","Zinc(II),O(sup 8))-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zinc, bis(5-sulfo-8-quinolinolato)-",NA,"C1CC2C(CCC(C2[N-]C1)O)S(=O)(=O)O.C1CC2C(CCC(C2[N-]C1)O)S(=O)(=O)O.[Zn+2]","XMHIRBOQOHBFCK-UHFFFAOYSA-N",54606877,NA,"PDBC55064","166687","Present",NA,NA
+"55065","Zinc;(2E,14E)-2,15-dimethyl-3,4,13,14,20-pentazatricyclo[14.3.1.06,11]icosa-1(20),2,6,8,10,14,16,18-octaene-5,12-dione;nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc;(2E,14E)-2,15-dimethyl-3,4,13,14,20-pentazatricyclo[14.3.1.06,11]icosa-1(20),2,6,8,10,14,16,18-octaene-5,12-dione;nitrate",NA,"CC1=NNC(=O)C2=CC=CC=C2C(=O)NN=C(C3=CC=CC1=N3)C.[N+](=O)([O-])[O-].[Zn+2]","SLOCVVKVJAHKPA-VJWGKHORSA-N",54608114,NA,"PDBC55065","646287","Present",NA,NA
+"55066","Zinc;(dithiocarboxyamino)methylcarbamodithioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc;(dithiocarboxyamino)methylcarbamodithioic acid",NA,"C(NC(=S)S)NC(=S)S.[Zn+2]","IMGSPTUIBJSLKI-UHFFFAOYSA-N",54602063,NA,"PDBC55066","85758","Present",NA,NA
+"55067","Zinc;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc;2,4-dibromo-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Br)Br)[O-])O.[Zn+2]","NHSHEPZQAWHBKP-CNHJQGRJSA-L",9569782,NA,"PDBC55067","617588","Present",NA,NA
+"55068","Zinc;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc;2,4-dichloro-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]phenolate",NA,"C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.C1=CC=C(C(=C1)C(=O)NN=CC2=C(C(=CC(=C2)Cl)Cl)[O-])O.[Zn+2]","KHUFPNHXBAPEEZ-CNHJQGRJSA-L",9569775,NA,"PDBC55068","617580","Present",NA,NA
+"55069","Zinc;2-(2-aminoanilino)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc;2-(2-aminoanilino)benzoate",NA,"C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.C1=CC=C(C(=C1)C(=O)[O-])NC2=CC=CC=C2N.[Zn+2]","QBHRVGSRKYHQGZ-UHFFFAOYSA-L",24202386,NA,"PDBC55069","646289","Present",NA,NA
+"55070","Zinc;2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc;2-[[2-(furan-2-yl)-2-oxoethylidene]amino]benzenethiolate",NA,NA,NA,NA,NA,"PDBC55070","626855","Present",NA,NA
+"55071","Zinc;2-formyl-6-methoxyphenolate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC638273",NA,"COC1=CC=CC(=C1[O-])C=O.COC1=CC=CC(=C1[O-])C=O.[Zn+2]","ZKQAMPRHBAFWHV-UHFFFAOYSA-L",368020,NA,"PDBC55071","638273","Present",NA,NA
+"55072","Zinc;5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc;5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;iodide",NA,"C[N+]1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=CC=[N+](C=C7)C)C8=CC=[N+](C=C8)C)C=C4)C9=CC=[N+](C=C9)C)[N-]3.[Zn+2].[I-]","KUFJQUNMPRCYPL-UHFFFAOYSA-M",368851,NA,"PDBC55072","640187","Present",NA,NA
+"55073","Zinc;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640186",NA,"C1=CC2=C(C3=NC(=C(C4=CC=C([N-]4)C(=C5C=CC(=N5)C(=C1[N-]2)C6=CC=NC=C6)C7=CC=NC=C7)C8=CC=NC=C8)C=C3)C9=CC=NC=C9.[Zn+2]","PZGANULLXCGPFZ-UHFFFAOYSA-N",368850,NA,"PDBC55073","640186","Present",NA,NA
+"55074","Zinc;N-[(E)-1-[6-[(E)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide;diacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinc;N-[(E)-1-[6-[(E)-C-methyl-N-(pyridine-3-carbonylamino)carbonimidoyl]pyridin-2-yl]ethylideneamino]pyridine-3-carboxamide;diacetate",NA,"CC(=NNC(=O)C1=CN=CC=C1)C2=NC(=CC=C2)C(=NNC(=O)C3=CN=CC=C3)C.CC(=O)[O-].CC(=O)[O-].[Zn+2]","LPGDVYAETMLLQN-LKXWJTICSA-L",24202006,NA,"PDBC55074","617564","Present",NA,NA
+"55075","Zindoxifene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indol-5-ol, 2-[4-(acetyloxy)phenyl]-1-ethyl-3-methyl-...",NA,"CCN1C2=C(C=C(C=C2)OC(=O)C)C(=C1C3=CC=C(C=C3)OC(=O)C)C","KSZGVNZSUJHOJA-UHFFFAOYSA-N",65645,NA,"PDBC55075","341952","Present",NA,NA
+"55076","Ziniolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ziniolide",NA,"CC1=CCC2C1CC3C(CC2=C)OC(=O)C3=C","KREYKRAJLBRHAZ-UHFFFAOYSA-N",373937,NA,"PDBC55076","650965","Present",NA,NA
+"55077","Zinniol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zinniol",NA,"CC1=C(C=C(C(=C1OC)CO)CO)OCC=C(C)C","DUMQPTRUYCCSEZ-UHFFFAOYSA-N",87317,NA,"PDBC55077","125427","Present",NA,NA
+"55078","Ziprasidone Hydrochloride Monohydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ziprasidone  Hydrochloride",NA,NA,"C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl","ZCBZSCBNOOIHFP-UHFFFAOYSA-N",60853,NA,"PDBC55078",NA,"Absent",NA,NA
+"55079","Zonarol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zonarol",NA,"CC1(CCCC2(C1CCC(=C)C2CC3=C(C=CC(=C3)O)O)C)C","CPXDKDFWEZFRKT-QFUCXCTJSA-N",332671,NA,"PDBC55079","331122","Present",NA,NA
+"55080","Zonisamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zonisamide",NA,NA,"C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N","UBQNRHZMVUUOMG-UHFFFAOYSA-N",5734,NA,"PDBC55080",NA,"Absent",NA,NA
+"55081","Zorubicin hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rubidazone",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=NNC(=O)C6=CC=CC=C6)C)O)N)O.Cl","NKFHKYQGZDAKMX-CBGHEUOKSA-N",9570560,NA,"PDBC55081","164011","Present",NA,NA
+"55082","Zotatifin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"eFT-226///Zotatifin",NA,"CN(C)CC1C(C2(C(C1O)(C3=C(N=C(C=C3O2)OC)OC)O)C4=CC=C(C=C4)C#N)C5=CC=CC=C5","QYCXWOACFWMQFO-WZWZCULESA-N",129138801,NA,"PDBC55082","818001///828584","Present",NA,NA
+"55083","Zotepine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zotepine",NA,NA,"CN(C)CCOC1=CC2=CC=CC=C2SC3=C1C=C(C=C3)Cl","HDOZVRUNCMBHFH-UHFFFAOYSA-N",5736,NA,"PDBC55083",NA,"Absent",NA,NA
+"55084","Zuclopenthixol hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC64087",NA,"C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.Cl","BUVIOIVVDWLSMQ-CVIBNLPVSA-N",25102584,NA,"PDBC55084","64087","Present",NA,NA
+"55085","Zuihonin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Zuihonin A",NA,"CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC5=C(C=C4)OCO5)C","QFUXQRHAJWXPGP-BINDOVRGSA-N",338287,NA,"PDBC55085","360072","Present",NA,NA
+"55086","Zygosporin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zygosporin a",NA,"CC1CC=CC2C(C(=C)C(C3C2(C(C=CC(C1=O)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)O","SDZRWUKZFQQKKV-WISUYLHISA-N",5476249,NA,"PDBC55086","209835","Present",NA,NA
+"55087","[(1'R,3S,3As,6aS,37'R)-3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',41'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.133,36.01,35.04,23.05,26.08,13.014,19.029,34]dotetraconta-8,10,12,14,16,18,29,31,33-nonaene]-25'-yl] 3,4,5-trihydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1'R,3S,3As,6aS,37'R)-3,6a,10',11',12',15',16',17',31',32',36',37'-dodecahydroxy-2',5,7',20',28',41'-hexaoxospiro[3,3a-dihydro-2H-furo[3,2-b]furan-6,39'-3,6,21,24,27,38,42-heptaoxanonacyclo[35.2.2.13",NA,"C1C(C2C(O1)(C3(C(=O)O2)C45CC(=O)C(O3)(C6(C4C7=C(O6)C(=C(C=C7C(=O)OC8C9C(C(COC(=O)C1=CC(=C(C(=C1C1=C(C(=C(C=C1C(=O)O9)O)O)O)O)O)O)OC8OC(=O)C1=CC(=C(C(=C1)O)O)O)OC5=O)O)O)O)O)O)O","XCXWMHRRISFUFF-HESLTPISSA-N",385555,NA,"PDBC55087","676827","Present",NA,NA
+"55088","[(1,1,3,3-Tetraphenyldistannoxane-1,3-diyl)bis(oxy)]bis(dioxo-lambda~5~-azane)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Distannoxanediol, 1,1,3,3-tetraphenyl-, dinitrate",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(O[N+](=O)[O-])O[Sn](C3=CC=CC=C3)(C4=CC=CC=C4)O[N+](=O)[O-]","FFNDSNBGBHBFNI-UHFFFAOYSA-N",16683501,NA,"PDBC55088","345311","Present",NA,NA
+"55089","[(1,5-Dihydroxy-2-oxopyrrolidin-3-yl)-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((1,5-dihydroxy-2-oxopyrrolidin-3-yl)phosphoryl)bis(oxy...",NA,"CC(C)(C)C(=O)OCOP(=O)(C1CC(N(C1=O)O)O)OCOC(=O)C(C)(C)C","WMYNAUQRRMHLEA-UHFFFAOYSA-N",122515581,NA,"PDBC55089","795666","Present",NA,NA
+"55090","[(1-Acetyloxy-2-oxopiperidin-3-yl)-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((1-acetoxy-2-oxopiperidin-3-yl)phosphoryl)bis(oxy))bis...",NA,"CC(=O)ON1CCCC(C1=O)P(=O)(OCOC(=O)C(C)(C)C)OCOC(=O)C(C)(C)C","ZNGMMPWHXKEHIF-UHFFFAOYSA-N",155807039,NA,"PDBC55090","796054","Present",NA,NA
+"55091","[(1-Amino-6-sulfonaphthalen-2-yl)oxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetic acid, [(1-amino-6-sulfo-2-naphthyl)oxy]- (8ci)",NA,"C1=CC2=C(C=CC(=C2N)OCC(=O)O)C=C1S(=O)(=O)O","XCOGAYHBZJLDOC-UHFFFAOYSA-N",226081,NA,"PDBC55091","16163","Present",NA,NA
+"55092","[(1-Methyl-2,6-diphenylpiperidin-4-ylidene)amino] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC351306///NSC351687",NA,"CC1=CC=C(C=C1)S(=O)(=O)ON=C2CC(N(C(C2)C3=CC=CC=C3)C)C4=CC=CC=C4","MTAKRODIHJFYMH-UHFFFAOYSA-N",336693,NA,"PDBC55092","351306///351687","Present",NA,NA
+"55093","[(1-Methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, (1-methyl-4-nitro-5-imidazolylthio)-",NA,"CN1C=NC(=C1SCC(=O)O)[N+](=O)[O-]","TUQQNQSADKYHNI-UHFFFAOYSA-N",236058,NA,"PDBC55093","38081","Present",NA,NA
+"55094","[(10R)-6,7,11,12,12-Pentahydroxy-3,13,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,6,8,14-tetraen-19-yl]methyl 3,4,5-trihydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(10R)-6,7,11,12,12-Pentahydroxy-3,13,16-trioxo-21,22-bis[(3,4,5-trihydroxybenzoyl)oxy]-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,6,8,14-tetraen-19-yl]methyl 3,4,5-trihydroxyben",NA,"C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8)O)O)O","NUPTUAXNMUIMFS-WGNFLYABSA-N",385557,NA,"PDBC55094","676829","Present",NA,NA
+"55095","[(11-Oxo-1,2,4,5,11,11a-hexahydro[1,4]oxazepino[4,5-a]indol)-11a-yl]phosphonic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11a-Dimethoxyphosphoryl-1,2,4,5-tetrahydro-[1,4]oxazepino[4,5-a]indol-11-one",NA,"COP(=O)(C12CCOCCN1C3=CC=CC=C3C2=O)OC","FMNGSWIMJKVYKV-UHFFFAOYSA-N",397608,NA,"PDBC55095","705949","Present",NA,NA
+"55096","[(14E)-14-Hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(14E)-14-Hydroxyimino-1-tricyclo[6.6.0.02,7]tetradeca-2,4,6-trienyl] 2,2-dimethylpropanoate",NA,"CC(C)(C)C(=O)OC12C(CCCCCC1=NO)C3=CC=CC=C23","FFIHQHHTIKBKEV-CAPFRKAQSA-N",9571412,NA,"PDBC55096","655293","Present",NA,NA
+"55097","[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl] thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl] thiocyanate",NA,"C(#N)SC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","IYHWWIRFHIBTPC-HYXAFXHYSA-N",3005114,NA,"PDBC55097","673144","Present",NA,NA
+"55098","[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]sulfanylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1E)-2,3,3-Trichloro-1-[chloro(nitro)methylene]allyl]sulfanylbenzene",NA,"C1=CC=C(C=C1)SC(=C([N+](=O)[O-])Cl)C(=C(Cl)Cl)Cl","OGKBNGLIROMCEK-NTMALXAHSA-N",1550321,NA,"PDBC55098","665104","Present",NA,NA
+"55099","[(1E,3E)-4-(Benzenesulfonyl)buta-1,3-dienyl]sulfinylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1E,3E)-4-(Benzenesulfonyl)buta-1,3-dienyl]sulfinylbenzene",NA,"C1=CC=C(C=C1)S(=O)C=CC=CS(=O)(=O)C2=CC=CC=C2","MMGHXXHLNDNLNB-FNCQTZNRSA-N",5468034,NA,"PDBC55099","662784","Present",NA,NA
+"55100","[(1E,3E)-4-(Benzenesulfonyl)buta-1,3-dienyl]sulfonylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzene, 1,1'-[(1,3-butadiene-1,4-diyl)sulfonyl]bis",NA,"C1=CC=C(C=C1)S(=O)(=O)C=CC=CS(=O)(=O)C2=CC=CC=C2","DEXCOBKOWPYHFL-FNCQTZNRSA-N",5468033,NA,"PDBC55100","662781","Present",NA,NA
+"55101","[(1E,3E)-4-Nitro-4-phenylbuta-1,3-dienyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1E,3E)-4-Nitro-4-phenylbuta-1,3-dienyl]benzene",NA,"C1=CC=C(C=C1)C=CC=C(C2=CC=CC=C2)[N+](=O)[O-]","YTKOEZZUXZYTFF-NJKRNUQASA-N",54598349,NA,"PDBC55101","167268","Present",NA,NA
+"55102","[(1H-Benzimidazole-2-yl)dithio]-9H-purine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1H-benzimidazole-2-yl)dithio]-9H-purine",NA,"C1=CC=C2C(=C1)NC(=N2)SSC3=NC4=NC=NC=C4N3","LLPQTRKWNFVTKX-UHFFFAOYSA-N",54613148,NA,"PDBC55102","750485","Present",NA,NA
+"55103","[(1R)-1-(Chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R)-1-(Chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)O)CCl)OC)OC","NRHDGIYFJJUFKN-AWEZNQCLSA-N",394856,NA,"PDBC55103","698932","Present",NA,NA
+"55104","[(1R)-1-[(2S,5S)-5-[(2S,5S)-5-[(E,1S)-1-Hydroxy-13-[(3R,5S)-5-methyl-2-oxo-3-phenylsulfanyloxolan-3-yl]tridec-5-en-3-ynyl]oxolan-2-yl]oxolan-2-yl]undecyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R)-1-[(2S,5S)-5-[(2S,5S)-5-[(E,1S)-1-Hydroxy-13-[(3R,5S)-5-methyl-2-oxo-3-phenylsulfanyloxolan-3-yl]tridec-5-en-3-ynyl]oxolan-2-yl]oxolan-2-yl]undecyl] acetate",NA,"CCCCCCCCCCC(C1CCC(O1)C2CCC(O2)C(CC#CC=CCCCCCCCC3(CC(OC3=O)C)SC4=CC=CC=C4)O)OC(=O)C","NUXTYTNPFRWHKL-HDGUODTPSA-N",5459222,NA,"PDBC55104","651806","Present",NA,NA
+"55105","[(1R)-1-[[(2S)-2-Amino-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutyl]boronic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boronic acid, [1-[[2-amino-3-(1-naphthalenyl)- 1-oxoprop...",NA,"B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)N)(O)O.Cl","XNHKOPOMEWQJJQ-QJHJCNPRSA-N",387440,NA,"PDBC55105","681229","Present",NA,NA
+"55106","[(1R)-1-[[(2S)-3-(4-Fluorophenyl)-2-(pyridine-2-carbonylamino)propanoyl]amino]-3-methylbutyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenepropanamide, N-(1-borono-3-methylbutyl)-4-fluoro-...",NA,"B(C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)F)NC(=O)C2=CC=CC=N2)(O)O","QCHDBUKWZDCJFY-ROUUACIJSA-N",388337,NA,"PDBC55106","683098","Present",NA,NA
+"55107","[(1R)-2-Benzamidocyclopentyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617634",NA,"C1CC(C(C1)OC(=O)C2=CC=CC=C2)NC(=O)C3=CC=CC=C3","HQUSUEHNRFYJTA-ZYMOGRSISA-N",357959,NA,"PDBC55107","617634","Present",NA,NA
+"55108","[(1R)-3-Methyl-1-(3-naphthalen-1-ylpropanoylamino)butyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boronic acid, [1-[[3-(1-naphthalenyl)-1-oxopropyl]amino]...",NA,"B(C(CC(C)C)NC(=O)CCC1=CC=CC2=CC=CC=C21)(O)O","QKJSPLWXUASQON-KRWDZBQOSA-N",387443,NA,"PDBC55108","681234","Present",NA,NA
+"55109","[(1R)-3-Methyl-1-(3-phenylpropanoylamino)butyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{(1r)-3-Methyl-1-[(3-phenylpropanoyl)amino]butyl}boronic acid",NA,"B(C(CC(C)C)NC(=O)CCC1=CC=CC=C1)(O)O","YOBVOZZROFMEJG-ZDUSSCGKSA-N",387448,NA,"PDBC55109","681242","Present",NA,NA
+"55110","[(1R)-3-Methyl-1-[[(2S)-2-(methylamino)-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boronic acid, [1-[[3-(1-naphthalenyl)-2-(methylamino)- 1...",NA,"B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC)(O)O.Cl","WAMUQAMOLUMIBL-APTPAJQOSA-N",387445,NA,"PDBC55110","681237","Present",NA,NA
+"55111","[(1R)-3-Methyl-1-[[(2S)-2-(morpholine-4-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boronic acid, [1-[2-[(4-morpholinylcarbonyl]amino]- 3-(1...",NA,"B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)N3CCOCC3)(O)O","MQMHIOPMTAJOHV-SFTDATJTSA-N",387437,NA,"PDBC55111","681226","Present",NA,NA
+"55112","[(1R)-3-Methyl-1-[[(2S)-3-naphthalen-1-yl-2-(quinolin-8-ylsulfonylamino)propanoyl]amino]butyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Boronic acid, [1-[[3-(1-naphthalenyl)-1-oxo- 2-[(8-quino...",NA,"B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4)(O)O","RCTFPTUYPPNJBH-ZCYQVOJMSA-N",387439,NA,"PDBC55112","681228","Present",NA,NA
+"55113","[(1R)-3-Methyl-1-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]butyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzenepropanamide, N-(1-borono-3-methylbutyl)- .alpha.-...",NA,"B(C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CCC2=CC=CC=C2)(O)O","ALDKKIACGNGVQW-SFTDATJTSA-N",388336,NA,"PDBC55113","683094","Present",NA,NA
+"55114","[(1R)-5,7-Dimethyl-4-oxocyclohept-2-en-1-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R)-5,7-Dimethyl-4-oxocyclohept-2-en-1-yl] acetate",NA,"CC1CC(C(=O)C=CC1OC(=O)C)C","FJGQPWPVHHSYPI-AYVLWNQUSA-N",359307,NA,"PDBC55114","620057","Present",NA,NA
+"55115","[(1R)-5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R)-5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl)OC)OC","BMQWJFCUALXVCK-AWEZNQCLSA-N",6712547,NA,"PDBC55115","696127","Present",NA,NA
+"55116","[(1R,10S,11S,13R,14S,17S,19R,20S)-1,10,14,19-Tetramethyl-6-oxo-7-oxahexacyclo[11.9.0.02,10.05,9.014,20.017,19]docosa-2,5(9)-dien-11-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,10S,11S,13R,14S,17S,19R,20S)-1,10,14,19-Tetramethyl-6-oxo-7-oxahexacyclo[11.9.0.02,10.05,9.014,20.017,19]docosa-2,5(9)-dien-11-yl] acetate",NA,"CC(=O)OC1CC2C3(CCC4CC4(C3CCC2(C5=CCC6=C(C15C)COC6=O)C)C)C","XRSRBUIAMJVVNL-WYWOZRIRSA-N",406950,NA,"PDBC55116","725282","Present",NA,NA
+"55117","[(1R,11S,12S)-11-(3,4,5-Trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,11S,12S)-11-(3,4,5-Trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl]methanol",NA,"COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO)C4=CC5=C(C=C24)OCO5","GAPFRQMOPFLDIS-ZSOWPOMHSA-N",54611494,NA,"PDBC55117","708409","Present",NA,NA
+"55118","[(1R,2R)-2-Azanidylcyclohexyl]azanide;[hydroxy(oxido)phosphoryl] hydrogen phosphate;platinum(4+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(trans-1,2-Cyclohexanediamine)(dihydrogen pyrophosphato)...///PT-112;Pyrodach-2",NA,"C1CCC(C(C1)[NH-])[NH-].OP(=O)([O-])OP(=O)(O)[O-].[Pt+4]","DGZSCXLKVAVLIY-BNTLRKBRSA-L",155807382,NA,"PDBC55118","756765///785594","Present",NA,NA
+"55119","[(1R,2R,3Ar,4S,5S,6E,9S,10R,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropoxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-9-yl] pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2R,3Ar,4S,5S,6E,9S,10R,11S,13R,13aS)-2,4,13-triacetyloxy-1-benzoyloxy-3a,10-dihydroxy-2,5,8,8-tetramethyl-12-methylidene-11-(2-methylpropoxy)-3,4,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annul",NA,"CC1C=CC(C(C(C(C(=C)C(C2C(C(CC2(C1OC(=O)C)O)(C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OCC(C)C)O)OC(=O)C4=CN=CC=C4)(C)C","IRBRSTWNGIELEA-MZKXOQCGSA-N",5469445,NA,"PDBC55119","688235","Present",NA,NA
+"55120","[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-Pentaacetyloxy-4,8,11,11-tetramethyl-14-(2-methylpropoxy)-7,18-dioxo-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-Pentaacetyloxy-4,8,11,11-tetramethyl-14-(2-methylpropoxy)-7,18-dioxo-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate",NA,"CC1C=CC(C(C(C(C2(CCC(=O)OC2C3C(C(CC3(C1=O)OC(=O)C)(C)OC(=O)C)OC(=O)C)OC(=O)C4=CC=CC=C4)OCC(C)C)OC(=O)C)OC(=O)C)(C)C","HMRXCGBDIXAMAJ-KBZPALJCSA-N",5469441,NA,"PDBC55120","688228","Present",NA,NA
+"55121","[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-Pentaacetyloxy-4,8,11,11-tetramethyl-7,18-dioxo-14-propoxy-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2R,3R,4R,6R,8S,9E,12S,13S,14R,15S)-3,4,6,12,13-Pentaacetyloxy-4,8,11,11-tetramethyl-7,18-dioxo-14-propoxy-19-oxatricyclo[13.4.0.02,6]nonadec-9-en-15-yl] benzoate",NA,"CCCOC1C(C(C(C=CC(C(=O)C2(CC(C(C2C3C1(CCC(=O)O3)OC(=O)C4=CC=CC=C4)OC(=O)C)(C)OC(=O)C)OC(=O)C)C)(C)C)OC(=O)C)OC(=O)C","UZKWYPOUTRMHOV-WEUYMDICSA-N",5469442,NA,"PDBC55121","688229","Present",NA,NA
+"55122","[(1R,2R,3R,4S,5S,7R,8R,9S,10S,11S,14R)-1,8,11-Triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2R,3R,4S,5S,7R,8R,9S,10S,11S,14R)-1,8,11-Triacetyloxy-2-(2-acetyloxyacetyl)oxy-7-hydroxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate",NA,"CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5C(C(C(C5=O)(C)C)OC(=O)C)C(C4)(C2OC(=O)C)C)OC(=O)C)OC(=O)COC(=O)C)O","RCVCMLLRUPYTNC-QHAGBCAISA-N",11972629,NA,"PDBC55122","688239","Present",NA,NA
+"55123","[(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7-Diacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-4-propoxy-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2R,3R,4S,5S,7R,8S,9R,10R,11S,14R)-2,7-Diacetyloxy-5,9-dimethyl-11-prop-1-en-2-yl-4-propoxy-8-(pyridine-3-carbonyloxy)-16-oxatetracyclo[7.5.2.01,10.03,7]hexadec-12-en-14-yl] pyridine-3-carboxylate",NA,"CCCOC1C(CC2(C1C(C34COC(C3C(C=CC4OC(=O)C5=CN=CC=C5)C(=C)C)(C2OC(=O)C6=CN=CC=C6)C)OC(=O)C)OC(=O)C)C","BJVNKFVIGCVQAY-WJGXHITKSA-N",11972627,NA,"PDBC55123","688218","Present",NA,NA
+"55124","[(1R,2R,4E,5S)-4-Hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,6'-oxane]-3'-yl] 3-methylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2R,4E,5S)-4-Hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,6'-oxane]-3'-yl] 3-methylbutanoate",NA,"CC#CC#CC=C1C2C(O2)C3(O1)CCC(CO3)OC(=O)CC(C)C","IZOBIZVXEKNCNN-SWYAMLMVSA-N",5471460,NA,"PDBC55124","711512","Present",NA,NA
+"55125","[(1R,2R,4E,5S)-4-Hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,6'-oxane]-3'-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2R,4E,5S)-4-Hexa-2,4-diynylidenespiro[3,6-dioxabicyclo[3.1.0]hexane-2,6'-oxane]-3'-yl] acetate",NA,"CC#CC#CC=C1C2C(O2)C3(O1)CCC(CO3)OC(=O)C","ZDCLDOZKWHHBMR-JQCRUYAESA-N",5471461,NA,"PDBC55125","711513","Present",NA,NA
+"55126","[(1R,2R,4S,8R,9S,10R,15S)-9-Hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-2-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2R,4S,8R,9S,10R,15S)-9-Hydroxy-1,10-dimethyl-5,14-dimethylidene-6-oxo-7,18-dioxatricyclo[13.2.1.04,8]octadecan-2-yl] acetate",NA,"CC1CCCC(=C)C2CCC(O2)(C(CC3C(C1O)OC(=O)C3=C)OC(=O)C)C","VZRGSEITNXYROX-GRLGMJMGSA-N",6712445,NA,"PDBC55126","687103","Present",NA,NA
+"55127","[(1R,2R,5S,8R,9R,10R,13R,14R,20R)-1,2,14,19,19-Pentamethyl-8-prop-1-en-2-yl-18-azapentacyclo[11.9.0.02,10.05,9.014,20]docosan-5-yl]methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Deoxy-3-homo-3-aza-lup-20(29)-en-28-amine",NA,"CC(=C)C1CCC2(C1C3CCC4C5(CCCNC(C5CCC4(C3(CC2)C)C)(C)C)C)CN","FHRYBCZJQMOTJP-DRUCTHHFSA-N",155810772,NA,"PDBC55127","797791","Present",NA,NA
+"55128","[(1R,2R,5S,9R,10R,11S,14R,15R,21R)-1,2,15,20,20-Pentamethyl-9-prop-1-en-2-yl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricosan-5-yl]methyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-deoxy-3-homo-3-aza-lup-20(29)-en-28-tosylate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCC(C2C4CCC5C6(CCCNC(C6CCC5(C4(CC3)C)C)(C)C)C)C(=C)C","AIAPSJYICYCGEU-PXRPQHSVSA-N",155806440,NA,"PDBC55128","801870","Present",NA,NA
+"55129","[(1R,2S)-2-(Methylamino)-1-phenylpropyl] [(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2S)-2-(Methylamino)-1-phenylpropyl] [(2S,3S,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl] hydrogen phosphate",NA,"CC(C(C1=CC=CC=C1)OP(=O)(O)OC2C(C(C(C(C2O)O)O)O)O)NC","FWECCZDKCBTCGU-LLOIQGMPSA-N",5470862,NA,"PDBC55129","705951","Present",NA,NA
+"55130","[(1R,2S,10S,13S)-13-Hydroxy-2,6,6-trimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2S,10S,13S)-13-Hydroxy-2,6,6-trimethyl-13-tetracyclo[10.3.1.01,10.02,7]hexadecanyl]methyl acetate",NA,"CC(=O)OCC1(CCC23CC1CC2CCC4C3(CCCC4(C)C)C)O","DDKAEQWOGQNVRK-KRKNJPAHSA-N",5459205,NA,"PDBC55130","646013","Present",NA,NA
+"55131","[(1R,2S,10S,13S,14R,17S)-7-Chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2S,10S,13S,14R,17S)-7-Chloro-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,7,19-tetraen-17-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5=C4N=C(C=C5)Cl)C)C","KELDGAUJYYNWAF-MMJASOHGSA-N",399256,NA,"PDBC55131","709948","Present",NA,NA
+"55132","[(1R,2S,10S,13S,14R,17S)-8-Acetyl-6-cyano-7-imino-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,19-trien-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2S,10S,13S,14R,17S)-8-Acetyl-6-cyano-7-imino-10,14-dimethyl-8-azapentacyclo[11.8.0.02,10.04,9.014,19]henicosa-4(9),5,19-trien-17-yl] acetate",NA,"CC(=O)N1C2=C(CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C)C=C(C1=N)C#N","LYMOVALYYNOQPM-SXUTZIHKSA-N",399258,NA,"PDBC55132","709950","Present",NA,NA
+"55133","[(1R,2S,4S,5R,7S,8R)-4,5,7-Triacetyloxy-2-hydroxy-8-(2-hydroxy-2-methylpropanoyl)oxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2S,4S,5R,7S,8R)-4,5,7-Triacetyloxy-2-hydroxy-8-(2-hydroxy-2-methylpropanoyl)oxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-6-yl]methyl benzoate",NA,"CC(=O)OC1CC(C23CC(C(C(C2(C1OC(=O)C)COC(=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C(C)(C)O)C(O3)(C)C)(C)O","NGBFLMQFMSLTEP-PZKGZXGESA-N",397629,NA,"PDBC55133","705971","Present",NA,NA
+"55134","[(1R,2S,4S,6S,8S,9S,13S,14S,16S,19S)-6,9,14-Trihydroxy-10,14-dimethyl-5-methylidene-18-oxo-7,17,20-trioxahexacyclo[11.5.1.19,12.01,12.04,8.016,19]icos-10-en-2-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2S,4S,6S,8S,9S,13S,14S,16S,19S)-6,9,14-Trihydroxy-10,14-dimethyl-5-methylidene-18-oxo-7,17,20-trioxahexacyclo[11.5.1.19,12.01,12.04,8.016,19]icos-10-en-2-yl] acetate",NA,"CC1=CC23C4C5C2(C(CC6C(C1(O3)O)OC(C6=C)O)OC(=O)C)C(=O)OC5CC4(C)O","BILSMHBWRCOPGJ-VKCINZSHSA-N",24204112,NA,"PDBC55134","730661","Present",NA,NA
+"55135","[(1R,2S,5S,8R,9S,10S,14R,15R,21R)-1,2,8,9,15,20,20-Heptamethyl-19-azapentacyclo[12.9.0.02,11.05,10.015,21]tricos-11-en-5-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Deoxy-3-homo-3-aza-12(13)-en-urs-28-ol",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCCNC5(C)C)C)C)C2C1C)C)CO","YTQFRUVANXVZDI-PQSOHBQGSA-N",155808606,NA,"PDBC55135","797816","Present",NA,NA
+"55136","[(1R,2S,9S,12S,13R,16S)-7,9,13-Trimethyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,2S,9S,12S,13R,16S)-7,9,13-Trimethyl-5,6-diazapentacyclo[10.8.0.02,9.04,8.013,18]icosa-4,7,18-trien-16-yl] acetate",NA,"CC1=C2C(=NN1)CC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C","HIZJMJPAOLQSHZ-ALOMXMGUSA-N",399259,NA,"PDBC55136","709951","Present",NA,NA
+"55137","[(1R,3R,4S)-4,7,7-Trimethyl-3-bicyclo[2.2.1]heptanyl] 2-thiocyanatoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2R,4R)-1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl] 2-thiocyanatoacetate",NA,"CC1(C2CCC1(C(C2)OC(=O)CSC#N)C)C","IXEVGHXRXDBAOB-GIPNMCIBSA-N",220595,NA,"PDBC55137","3535","Present",NA,NA
+"55138","[(1R,3S)-3-[(2-Amino-6-chloropurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{(1r,3s)-3-[(2-Amino-6-chloro-9h-purin-9-yl)methyl]-1,2,2-trimethylcyclopentyl}methanol",NA,"CC1(C(CCC1(C)CO)CN2C=NC3=C2N=C(N=C3Cl)N)C","OMDWVCNJBDBBFF-PSLIRLAXSA-N",395604,NA,"PDBC55138","700349","Present",NA,NA
+"55139","[(1R,3S)-3-[(5,7-Diaminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,3S)-3-[(5,7-Diaminotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol",NA,"C1CC(CC1CN2C3=NC(=NC(=C3N=N2)N)N)CO","NHYHHQFGWUUBRE-NKWVEPMBSA-N",394300,NA,"PDBC55139","697667","Present",NA,NA
+"55140","[(1R,3S)-3-[(6-Aminopurin-9-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1r,3s)-3-[(6-Aminopurin-9-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol",NA,"CC1(C(CCC1(C)CO)CN2C=NC3=C(N=CN=C32)N)C","JKIFEAHPBWLYIA-BMIGLBTASA-N",399561,NA,"PDBC55140","710435","Present",NA,NA
+"55141","[(1R,3S)-3-[(7-Aminotriazolo[4,5-d]pyrimidin-3-yl)methyl]-1,2,2-trimethylcyclopentyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1r,3s)-3-[(7-Aminotriazolo[5,4-d]pyrimidin-3-yl)methyl]-1,2,2-trimethyl-cyclopentyl]methanol",NA,"CC1(C(CCC1(C)CO)CN2C3=NC=NC(=C3N=N2)N)C","WYFCYAWADTZWLO-OTYXRUKQSA-N",395606,NA,"PDBC55141","700351","Present",NA,NA
+"55142","[(1R,3S,4R,5R,7S,8S,9R,10E,12R,14R)-4,9-Diacetyloxy-3,6,6,10,14-pentamethyl-2,13-dioxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (Z)-2-methylbut-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,3S,4R,5R,7S,8S,9R,10E,12R,14R)-4,9-Diacetyloxy-3,6,6,10,14-pentamethyl-2,13-dioxo-16-oxatetracyclo[10.3.1.01,12.05,7]hexadec-10-en-8-yl] (Z)-2-methylbut-2-enoate",NA,"CC=C(C)C(=O)OC1C2C(C2(C)C)C(C(C(=O)C34CC(C(=O)C3(O4)C=C(C1OC(=O)C)C)C)C)OC(=O)C","PGDTVKODHSMCOW-ZSTUALOTSA-N",5469438,NA,"PDBC55142","688219","Present",NA,NA
+"55143","[(1R,4Ar,4bS,7R,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl]methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,4Ar,4bS,7R,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,9,10,10a-decahydrophenanthren-1-yl]methanamine",NA,"CC(C)C1CCC2C(=C1)CCC3C2(CCCC3(C)CN)C","ZBMIXHNTJVFSRN-ONSCTEFMSA-N",221538,NA,"PDBC55143","6372","Present",NA,NA
+"55144","[(1R,4Ar,4bS,7S,8aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,4Ar,4bS,7S,8aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,7,8,8a,9,10,10a-dodecahydrophenanthren-1-yl]methanamine",NA,"CC(C)C1CCC2C(C1)CCC3C2(CCCC3(C)CN)C","XFTYNVYVQAMCAC-RPZLJYRGSA-N",221540,NA,"PDBC55144","6377","Present",NA,NA
+"55145","[(1R,4E,7S,10E,14S)-10,14-Dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,4E,7S,10E,14S)-10,14-Dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate",NA,"CC1=CCCC2(C(O2)CCC(=CCC(CC1)C(=C)C)COC(=O)C)C","SQOZKUOMCHPMST-XWSUTYDESA-N",24203412,NA,"PDBC55145","727922","Present",NA,NA
+"55146","[(1R,4S)-4-(1-Ethoxy-2-iodoethoxy)cyclopent-2-en-1-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1r,4s)-4-(1-Ethoxy-2-iodo-ethoxy)-1-cyclopent-2-enyl] acetate",NA,"CCOC(CI)OC1CC(C=C1)OC(=O)C","MVJVDGIOLQOBLN-MTULOOOASA-N",394633,NA,"PDBC55146","698209","Present",NA,NA
+"55147","[(1R,4Z,7S,10E,14R)-10,14-Dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl (2R)-2-acetyloxy-3-benzamido-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,4Z,7S,10E,14R)-10,14-Dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl (2R)-2-acetyloxy-3-benzamido-3-phenylpropanoate",NA,"CC1=CCCC2(C(O2)CCC(=CCC(CC1)C(=C)C)COC(=O)C(C(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)OC(=O)C)C","SHGUCLXWOUNQEK-MBWMOMOUSA-N",54612709,NA,"PDBC55147","742313","Present",NA,NA
+"55148","[(1R,5R,8S,12R,13R)-1,5-Dimethyl-10-(trifluoromethyl)-11, 14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadec-9-en-9-yl]methyl[1S,4R,5R,8R,12R,13S)-1,5-dimethyl-10-(trifluorom ethyl)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hex adec-9-en-9-yl]methyl ether",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,4S,5R,8S,12R,13R)-1,5-dimethyl-10-(trifluoromethyl)...",NA,"CC1CCC2C(=C(OC3C24C1CCC(O3)(OO4)C)C(F)(F)F)COCC5=C(OC6C78C5CCC(C7CCC(O6)(OO8)C)C)C(F)(F)F","CJEILTMXMLELJB-YZCHWQJXSA-N",54612585,NA,"PDBC55148","724778","Present",NA,NA
+"55149","[(1R,5S,8R,9S,10S,13S,14S,17S)-1-Methyl-3-oxo-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl] acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,5S,8R,9S,10S,13S,14S,17S)-1-Methyl-3-oxo-1,2,4,5,6,7,8,9,10,11,12,13,14,15,16,17-hexadecahydrocyclopenta[a]phenanthren-17-yl] acridine-4-carboxylate",NA,"CC1CC(=O)CC2C1C3CCC4C(C3CC2)CCC4OC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65","BVBMXURPKQELKP-BRPOORMSSA-N",397509,NA,"PDBC55149","705635","Present",NA,NA
+"55150","[(1R,7R)-7-Ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1R,7R)-7-Ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methyl acetate",NA,"CC(=O)OCC1(CCCC2(C1CCC3=C2CCC(C3)(C)C=C)C)C","BGKZOBYFXNGEHO-QSRFUDQGSA-N",6711896,NA,"PDBC55150","646020","Present",NA,NA
+"55151","[(1S)-11-Oxo-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,16-tetraen-18-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-11-Oxo-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,16-tetraen-18-yl] acetate",NA,"CC(=O)OC1C=CC2CCN3C2C1C4=CC5=C(C=C4C3=O)OCO5","CUIMLFHJPFDAKU-NGNMIGBESA-N",375351,NA,"PDBC55151","654976","Present",NA,NA
+"55152","[(1S)-18-Acetyloxy-11-oxo-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-18-Acetyloxy-11-oxo-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate",NA,"CC(=O)OC1CC2CCN3C2C(C1OC(=O)C)C4=CC5=C(C=C4C3=O)OCO5","UTYMBBXCRQVQGX-OGJYGVRYSA-N",375353,NA,"PDBC55152","654978","Present",NA,NA
+"55153","[(1S)-2,5-Dimethyl-4-oxocyclohexyl] carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-2,5-Dimethyl-4-oxocyclohexyl] carbamate",NA,"CC1CC(C(CC1=O)C)OC(=O)N","CEFUUNUXZWCXMB-QIECLKSESA-N",359574,NA,"PDBC55153","620566","Present",NA,NA
+"55154","[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxynaphthalene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxynaphthalene-1-carboxylate",NA,"CC1(CO1)C(C(=O)N)OC(=O)C2=CC(=CC3=CC=CC=C32)OC","GTVDXIMMFXZZQK-PBHICJAKSA-N",24203159,NA,"PDBC55154","727013","Present",NA,NA
+"55155","[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 5-methylnaphthalene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-2-Amino-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 5-methylnaphthalene-1-carboxylate",NA,"CC1=C2C=CC=C(C2=CC=C1)C(=O)OC(C(=O)N)C3(CO3)C","RNBMYKNOSKPLJT-PBHICJAKSA-N",24203160,NA,"PDBC55155","727015","Present",NA,NA
+"55156","[(1S)-2-[5-[[(2S)-2-(3-Methoxy-5-methylnaphthalene-1-carbonyl)oxy-2-[(2S)-2-methyloxiran-2-yl]acetyl]amino]pentylamino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-2-[5-[[(2S)-2-(3-Methoxy-5-methylnaphthalene-1-carbonyl)oxy-2-[(2S)-2-methyloxiran-2-yl]acetyl]amino]pentylamino]-1-[(2S)-2-methyloxiran-2-yl]-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxy",NA,"CC1=C2C=C(C=C(C2=CC=C1)C(=O)OC(C(=O)NCCCCCNC(=O)C(C3(CO3)C)OC(=O)C4=CC(=CC5=C(C=CC=C45)C)OC)C6(CO6)C)OC","JXFBJCXXUXSPLR-HLMMNVQFSA-N",24204577,NA,"PDBC55156","732225","Present",NA,NA
+"55157","[(1S)-3-Methyl-1-[[(2R)-2-(morpholine-4-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S)-3-Methyl-1-[[(2R)-2-(morpholine-4-carbonylamino)-3-naphthalen-1-ylpropanoyl]amino]butyl]boronic acid",NA,"B(C(CC(C)C)NC(=O)C(CC1=CC=CC2=CC=CC=C21)NC(=O)N3CCOCC3)(O)O","MQMHIOPMTAJOHV-NHCUHLMSSA-N",387438,NA,"PDBC55157","681227","Present",NA,NA
+"55158","[(1S)-5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[e]indol-5-amine, 1-(chloromethyl)-2,3-dihydro- 3...",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl)OC)OC","BMQWJFCUALXVCK-CQSZACIVSA-N",6712548,NA,"PDBC55158","696128","Present",NA,NA
+"55159","[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-Acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8-tetraen-16-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,12S,13R,16R,17S,18R)-17-[[(12S,13R,18R)-17-Acetyl-6-methoxy-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaen-7-yl]methyl]-3,16,20-trimethyl-15-ox",NA,"CC(=O)C1=COCC2C1CC3C4=C(CC2N3C)C5=C(N4C)C=C(C(=C5)CC6C7CC8C9=C(CC(C7COC6(C)OC(=O)C)N8C)C1=CC=CC=C1N9C)OC","REOIONKDLKREKD-FMOGNJRXSA-N",403786,NA,"PDBC55159","719263","Present",NA,NA
+"55160","[(1S,17S)-17-Hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,17S)-17-Hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] acetate",NA,"CC(=O)OC1C(C=C2CCN3C2C1C4=CC5=C(C=C4C3)OCO5)O","BIGUPJIJZYZJMV-WSTOCAFGSA-N",375365,NA,"PDBC55160","654989","Present",NA,NA
+"55161","[(1S,17S)-18-Acetyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,17S)-18-Acetyloxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9-trien-17-yl] acetate",NA,"CC(=O)OC1CC2CCN3C2C(C1OC(=O)C)C4=CC5=C(C=C4C3)OCO5","IUKYXZADSGGCJJ-KBHPZEPYSA-N",375354,NA,"PDBC55161","654979","Present",NA,NA
+"55162","[(1S,2R,10S,14R)-15-[(2R)-4,5-Dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2R,10S,14R)-15-[(2R)-4,5-Dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate",NA,"CC(CC(C(C(=C)C)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)CO)O)O)O)C","JATVAKFDFYKBLA-PYZQOAFNSA-N",6712282,NA,"PDBC55162","664907","Present",NA,NA
+"55163","[(1S,2S)-2-Azanidylcyclohexyl]azanide;[hydroxy(oxido)phosphoryl] hydrogen phosphate;platinum(4+);dihydroxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(trans-1,2-Cyclohexanediamine)-trans-dihydroxo(dihydroge...",NA,"C1CCC(C(C1)[NH-])[NH-].[OH-].[OH-].OP(=O)([O-])OP(=O)(O)[O-].[Pt+4]","YCGRQYYMGFDGEA-UKVIHGRNSA-J",155814405,NA,"PDBC55163","756766","Present",NA,NA
+"55164","[(1S,2S,3Ar,4R,4aS,4bS,6R,8R,8aR,9aR,10R,10aR)-4,6,8,8a,10-pentaacetyloxy-3a-hydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3Ar,4R,4aS,4bS,6R,8R,8aR,9aR,10R,10aR)-4,6,8,8a,10-pentaacetyloxy-3a-hydroxy-2,4a,6,9a-tetramethyl-2,3,4,4b,5,7,8,9,10,10a-decahydro-1H-cyclopenta[b]fluoren-1-yl] benzoate",NA,"CC1CC2(C(C1OC(=O)C3=CC=CC=C3)C(C4(CC5(C(C4(C2OC(=O)C)C)CC(CC5OC(=O)C)(C)OC(=O)C)OC(=O)C)C)OC(=O)C)O","IKVFCMXVZDVCLH-HCZDEFTCSA-N",390634,NA,"PDBC55164","688236","Present",NA,NA
+"55165","[(1S,2S,3Ar,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropoxy)-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-10-yl] 2-methylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3Ar,5S,6E,9S,10S,11S,13R,13aR)-1,3a,9-trihydroxy-2,5,8,8-tetramethyl-13-(2-methylbutanoyloxy)-12-methylidene-11-(2-methylpropoxy)-4-oxo-2,3,5,9,10,11,13,13a-octahydro-1H-cyclopenta[12]annulen-",NA,"CCC(C)C(=O)OC1C(C(=C)C(C2C(C(CC2(C(=O)C(C=CC(C1O)(C)C)C)O)C)O)OC(=O)C(C)CC)OCC(C)C","IPTVQTRTKLELPQ-LKQMHBITSA-N",5469439,NA,"PDBC55165","688220","Present",NA,NA
+"55166","[(1S,2S,3As,5R,6E,10R,11S,13R,13aR)-11,13-diacetyloxy-2,3a,5,8,8-pentamethyl-12-methylidene-10-(2-methylpropoxy)-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3As,5R,6E,10R,11S,13R,13aR)-11,13-diacetyloxy-2,3a,5,8,8-pentamethyl-12-methylidene-10-(2-methylpropoxy)-4,9-dioxo-1,2,3,5,10,11,13,13a-octahydrocyclopenta[12]annulen-1-yl] acetate",NA,"CC1CC2(C(C1OC(=O)C)C(C(=C)C(C(C(=O)C(C=CC(C2=O)C)(C)C)OCC(C)C)OC(=O)C)OC(=O)C)C","VRBCJBWJOSXAKX-DREAKLHESA-N",5469446,NA,"PDBC55166","688238","Present",NA,NA
+"55167","[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[1",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CO5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C","ALYCNCTXENAHTH-MHHMHYQJSA-N",380866,NA,"PDBC55167","666607","Present",NA,NA
+"55168","[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(2,3-dihydroxy-2-methylbutanoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(2,3-dihydroxy-2-methylbutanoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C(C)(C(C)O)O)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C","LGBYWBOICYQBHE-QCMCBIADSA-N",380865,NA,"PDBC55168","666606","Present",NA,NA
+"55169","[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-naphthalen-2-ylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-naphthalen-2-ylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-1",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC6=CC=CC=C6C=C5)NC(=O)C7=CC=CC=C7)O)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)O)C)OC(=O)C","GUHNFDXVLMYXPY-TWLIEMHASA-N",380867,NA,"PDBC55169","666608","Present",NA,NA
+"55170","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-15-[(2R,3S)-2-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoyl]oxy-3-benzamido-3-phenylpropanoyl]oxy-4,12-diacetyloxy-2-benzoyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-9-yl] 4-[[(5S,9R)-9-(4-hydroxy-3-methoxy-5-methylphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-15-[(2R,3S)-2-[4-[[(5S,5As,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]iminomethyl]benzoyl]oxy-3-b",NA,"CC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)N=CC6=CC=C(C=C6)C(=O)OC7CC8C(CO8)(C9C7(C(=O)C(C1=C(C(CC(C9OC(=O)C2=CC=CC=C2)(C1(C)C)O)OC(=O)C(C(C1=CC=CC=C1)NC(=O)C1=CC=CC=C1)OC(=O)C1=CC=C(C=C1)C=NC1C2COC(=O)C2C(C2=CC3=C(C=C12)OCO3)C1=CC(=C(C(=C1)OC)O)OC)C)OC(=O)C)C)OC(=O)C","GNNDBXCALCOABJ-WVQIMNRWSA-N",16129932,NA,"PDBC55170","705436","Present",NA,NA
+"55171","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-(3-methylbutanoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-(3-methylbutanoylamino)-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)CC(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C","GLNMJUMVLZLAFL-IMIIKSCNSA-N",6712271,NA,"PDBC55171","664404","Present",NA,NA
+"55172","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] cyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-1,9-dihydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6CCCCC6)(CO4)OC(=O)C)O)C)OC(=O)C","FFFCFIXCAKEPHD-OAGWZNDDSA-N",383475,NA,"PDBC55172","671867","Present",NA,NA
+"55173","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(decanoylamino)-3-(furan-2-yl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(decanoylamino)-3-(furan-2-yl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hep",NA,"CCCCCCCCCC(=O)NC(C1=CC=CO1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O","IBZLMTMPCWQAIN-AKSVVSKXSA-N",383473,NA,"PDBC55173","671865","Present",NA,NA
+"55174","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] 3-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyc",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CO5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC(=CC=C6)OC)(CO4)OC(=O)C)O)C)OC(=O)C","MWSYKNKNMMTOJD-BGKJQISDSA-N",384478,NA,"PDBC55174","674282","Present",NA,NA
+"55175","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-3-(hexanoylamino)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3R)-3-(furan-2-yl)-3-(hexanoylamino)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hep",NA,"CCCCCC(=O)NC(C1=CC=CO1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O","NQBYOXCPYUHXJW-MNLIZOKASA-N",383472,NA,"PDBC55175","671864","Present",NA,NA
+"55176","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(cyclohexanecarbonylamino)-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] cyclohexanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(cyclohexanecarbonylamino)-3-cyclohexyl-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5CCCCC5)NC(=O)C6CCCCC6)O)O)OC(=O)C7CCCCC7)(CO4)OC(=O)C)O)C)OC(=O)C","KEJNFYZOQVPCEX-MZXODVADSA-N",383477,NA,"PDBC55176","671869","Present",NA,NA
+"55177","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(furan-2-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(furan-2-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CO6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","OZLOKBVNWFMQFL-MHHARFCSSA-N",384060,NA,"PDBC55177","673185","Present",NA,NA
+"55178","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(furan-3-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-(furan-3-carbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=COC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","JKNUSPYZNOLBAF-MHHARFCSSA-N",381595,NA,"PDBC55178","668404","Present",NA,NA
+"55179","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(3-azidobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(3-azidobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)N=[N+]=[N-])O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","SEFFOEPUGYGHPV-MZXODVADSA-N",5468574,NA,"PDBC55179","671871","Present",NA,NA
+"55180","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(4-aminobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-[(4-aminobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]h",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)N)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","MRLCSEIPLWDUPY-MZXODVADSA-N",384067,NA,"PDBC55180","673192","Present",NA,NA
+"55181","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-(3,4-dihydroxybutoxycarbonyloxy)-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-(3,4-dihydroxybutoxycarbonyloxy)-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.0",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)OCCC(CO)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","OVBWLQLJASFROW-POVJGWSTSA-N",390988,NA,"PDBC55181","689292","Present",NA,NA
+"55182","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(2-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(2-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hepta",NA,"CC1=CC=CC=C1C(C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O)NC(=O)C7=CC=CC=C7","GPXXCBCOKZSKIT-JBTWBBNCSA-N",383478,NA,"PDBC55182","671870","Present",NA,NA
+"55183","[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-(3,4-dihydroxybutoxycarbonyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-9-(3,4-dihydroxybutoxycarbonyloxy)-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC(=O)OCCC(CO)O)C)OC(=O)C","UOQOUSCNIBTKFT-POVJGWSTSA-N",390987,NA,"PDBC55183","689291","Present",NA,NA
+"55184","[(1S,2S,4R,7E,11S)-4-Methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methyl N-[8-[[(1S,2S,4R,7E,11S)-4-methyl-12-methylidene-13-oxo-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-8-yl]methoxycarbonylamino]octyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(((1aR,7aS,10aS,10bS,E)-1a-methyl-8-methylene-9-oxo-1a,2,3,6,7,7a,8,9,10a,10b-decahydrooxireno[2',3':9,10]cyclodeca[1,2-b]furan-5-yl)methyl) octane-1,8-diyldicarbamate",NA,"CC12CCC=C(CCC3C(C1O2)OC(=O)C3=C)COC(=O)NCCCCCCCCNC(=O)OCC4=CCCC5(C(O5)C6C(CC4)C(=C)C(=O)O6)C","PBCYNJBBMUYAIG-JNMFGIBUSA-N",121390743,NA,"PDBC55184","780932","Present",NA,NA
+"55185","[(1S,3Br,9aR,11aS)-8-cyano-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,3Br,9aR,11aS)-8-cyano-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinolin-1-yl] acetate",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(C(=O)N4)C#N)C)C","YOKGUUDIKZCAHM-TZNDETSFSA-N",379354,NA,"PDBC55185","663900","Present",NA,NA
+"55186","[(1S,3R,13S,14R,15R)-3-Hydroxy-9,13-dimethyl-18-methylidene-17-oxospiro[8,16-dioxatricyclo[13.3.0.07,9]octadecane-4,2'-oxirane]-14-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,3R,13S,14R,15R)-3-Hydroxy-9,13-dimethyl-18-methylidene-17-oxospiro[8,16-dioxatricyclo[13.3.0.07,9]octadecane-4,2'-oxirane]-14-yl] acetate",NA,"CC1CCCC2(C(O2)CCC3(CO3)C(CC4C(C1OC(=O)C)OC(=O)C4=C)O)C","HEYHFTKRUGDUMY-KVBDNKRGSA-N",24205279,NA,"PDBC55186","734916","Present",NA,NA
+"55187","[(1S,3R,4R)-6,8-Dioxo-2,7-dioxatetracyclo[8.3.0.01,3.05,9]tridecan-4-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,3R,4R)-6,8-Dioxo-2,7-dioxatetracyclo[8.3.0.01,3.05,9]tridecan-4-yl] acetate",NA,"CC(=O)OC1C2C(C3CCCC34C1O4)C(=O)OC2=O","WZSJQZZTACNZPV-MEGYHEJESA-N",359229,NA,"PDBC55187","619938","Present",NA,NA
+"55188","[(1S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(3S)-3-(2,2-dimethylpropanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,3R,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[(3S)-3-(2,2-dimethylpropanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptad",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C","KNOHTDDBTZZQSM-MORJDCNNSA-N",6712269,NA,"PDBC55188","664402","Present",NA,NA
+"55189","[(1S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(3S)-3-(3,3-dimethylbutanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,3R,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(3S)-3-(3,3-dimethylbutanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]hep",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)CC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C","YGLFDWOOFAIXQJ-UJPCJXGTSA-N",6712270,NA,"PDBC55189","664403","Present",NA,NA
+"55190","[(1S,3R,5R,8E,13S,14R,15R)-5,9,13-Trimethyl-17-oxo-18-(phenylsulfanylmethyl)-4,16-dioxatricyclo[13.3.0.03,5]octadec-8-en-14-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,3R,5R,8E,13S,14R,15R)-5,9,13-Trimethyl-17-oxo-18-(phenylsulfanylmethyl)-4,16-dioxatricyclo[13.3.0.03,5]octadec-8-en-14-yl] acetate",NA,"CC1CCCC(=CCCC2(C(O2)CC3C(C(=O)OC3C1OC(=O)C)CSC4=CC=CC=C4)C)C","ZZZGBNIZPJLASR-NFNCYGQMSA-N",45029453,NA,"PDBC55190","746840","Present",NA,NA
+"55191","[(1S,4As,5R,6S,8aS)-5-[(2-chloro-3,5-dimethoxyphenyl)methyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4As,5R,6S,8aS)-5-[(2-chloro-3,5-dimethoxyphenyl)methyl]-5,6,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]methanol",NA,"CC1CCC2(C(CCCC2C1(C)CC3=C(C(=CC(=C3)OC)OC)Cl)CO)C","NDYBDDJELIRVDM-ANIWYVHRSA-N",402193,NA,"PDBC55191","716060","Present",NA,NA
+"55192","[(1S,4E,6S,10E,14S)-6-Hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4E,6S,10E,14S)-6-Hydroxy-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate",NA,"CC1=CCCC2(C(O2)CCC(=CC(C(CC1)C(=C)C)O)COC(=O)C)C","XHPIEOZMYVAMEY-LJEZSRFVSA-N",5469363,NA,"PDBC55192","687105","Present",NA,NA
+"55193","[(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-(cyclopenten-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4R,5R,6R,7S,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 2-(cyclopenten-1-yl)acetate",NA,"CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)OC(=O)CC6=CCCC6","XSRNEJBEOCYPKB-SUTSTRPNSA-N",392733,NA,"PDBC55193","693539","Present",NA,NA
+"55194","[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-hydroxy-2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4R,5R,6R,7S,8R,11R,13S,17S,18S,19R)-4,5,17-Trihydroxy-6,14,18-trimethyl-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl] 3-hydroxy-2,2-dimethylpropanoate",NA,"CC1C2C(C(=O)OC3C24COC(C1O)(C4C5(C(C3)C(=CC(=O)C5O)C)C)O)OC(=O)C(C)(C)CO","KOIREGUAEMHXSP-VRWZWJKZSA-N",390662,NA,"PDBC55194","688274","Present",NA,NA
+"55195","[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-7-(Acetyloxymethyl)-5,6-dihydroxy-3,11,14-trimethyl-11-[(Z)-2-methylbut-2-enoyl]oxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4S,5S,6R,9S,10R,11R,12R,14R)-7-(Acetyloxymethyl)-5,6-dihydroxy-3,11,14-trimethyl-11-[(Z)-2-methylbut-2-enoyl]oxy-15-oxo-4-tetracyclo[7.5.1.01,5.010,12]pentadeca-2,7-dienyl] (Z)-2-methylbut-2-enoa",NA,"CC=C(C)C(=O)OC1C(=CC23C1(C(C(=CC(C2=O)C4C(C4(C)OC(=O)C(=CC)C)CC3C)COC(=O)C)O)O)C","GJRRUWXAOKVFEV-AFWHDFIPSA-N",54608453,NA,"PDBC55195","688230","Present",NA,NA
+"55196","[(1S,4S,7R,10S,12R)-4-Acetyloxy-15-[(3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4S,7R,10S,12R)-4-Acetyloxy-15-[(3S)-3-(hexanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(3,4,5-trihydroxyoxan-2-yl)oxy-6-oxatetracyclo[11.3.1.03,10.0",NA,"CCCCCC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)OC6C(C(C(CO6)O)O)O)(C(=O)C(C(=C2C)C3(C)C)O)C)OC(=O)C7=CC=CC=C7)O)O","XGWGQEYABFGJID-DUDRIPDSSA-N",6712194,NA,"PDBC55196","658831","Present",NA,NA
+"55197","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-phenyl-3-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-1,9-dihydroxy-15-[2-hydroxy-3-phenyl-3-[[4-(trifluoromethyl)benzoyl]amino]propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptade",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=C(C=C6)C(F)(F)F)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","FJKXRFDTELYEGH-HXZKEHTGSA-N",6712036,NA,"PDBC55197","653244","Present",NA,NA
+"55198","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-(butoxycarbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-(butoxycarbonylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] ",NA,"CCCCOC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O","RQFZIBKSUVOOCI-RIDOBZAASA-N",6712243,NA,"PDBC55198","662161","Present",NA,NA
+"55199","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-[(3-chlorobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-[(3-chlorobenzoyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-y",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC(=CC=C6)Cl)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","OXEKAIRPEWMBFZ-HXZKEHTGSA-N",6712240,NA,"PDBC55199","662158","Present",NA,NA
+"55200","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-2-hydroxy-3-(4-methylphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] be",NA,"CC1=CC=C(C=C1)C(C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)OC(=O)C)C)OC(=O)C6=CC=CC=C6)O)O)NC(=O)C7=CC=CC=C7","LMXOIOZYGWKKOY-AHCJXFNUSA-N",6712005,NA,"PDBC55200","651196","Present",NA,NA
+"55201","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-3-(3-chlorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-3-(3-chlorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] be",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC(=CC=C5)Cl)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","ZQWDAMWGQVLXCL-HXZKEHTGSA-N",6712241,NA,"PDBC55201","662159","Present",NA,NA
+"55202","[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4S,7R,9S,10S,12R)-4,12-Diacetyloxy-15-[3-benzamido-3-(4-fluorophenyl)-2-hydroxypropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] be",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=C(C=C5)F)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","FEAWFVLPLSRVKF-HXZKEHTGSA-N",6712242,NA,"PDBC55202","662160","Present",NA,NA
+"55203","[(1S,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-methoxyphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,4S,7R,9S,10S,12R,15S)-4,12-Diacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-(4-methoxyphenyl)propanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-1",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=C(C=C5)OC)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","XNPAPBPILRKCOQ-FHNPKNCPSA-N",379641,NA,"PDBC55203","664401","Present",NA,NA
+"55204","[(1S,7R)-7-Ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,7R)-7-Ethenyl-1,4a,7-trimethyl-3,4,5,6,8,9,10,10a-octahydro-2H-phenanthren-1-yl]methanol",NA,"CC1(CCC2=C(C1)CCC3C2(CCCC3(C)CO)C)C=C","KVGUVNVWQKGXAA-WBFXSEPVSA-N",6711897,NA,"PDBC55204","646021","Present",NA,NA
+"55205","[(1S,7R,8R,11S,12R,13S)-11-Acetyloxy-12,13-dihydroxy-3,5-dioxo-4-phenyl-2,4,6-triazatricyclo[5.4.2.02,6]tridecan-8-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1S,7R,8R,11S,12R,13S)-11-Acetyloxy-12,13-dihydroxy-3,5-dioxo-4-phenyl-2,4,6-triazatricyclo[5.4.2.02,6]tridecan-8-yl] acetate",NA,"CC(=O)OC1CCC(C2C(C(C1N3N2C(=O)N(C3=O)C4=CC=CC=C4)O)O)OC(=O)C","PIMXUPVIOUVFMR-XFZGEKFBSA-N",398020,NA,"PDBC55205","707093","Present",NA,NA
+"55206","[(1Z,3E)-2,4-Bis(benzenesulfonyl)buta-1,3-dienyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1Z,3E)-2,4-Bis(benzenesulfonyl)buta-1,3-dienyl]benzene",NA,"C1=CC=C(C=C1)C=C(C=CS(=O)(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3","ORYDCMXESDNDEZ-PYILIBOYSA-N",5387480,NA,"PDBC55206","623969","Present",NA,NA
+"55207","[(2,2,4,4-Tetramethyl-3-oxo-cyclobutylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2,2,4,4-Tetramethyl-3-oxo-cyclobutylidene)amino]thiourea",NA,"CC1(C(=NNC(=S)N)C(C1=O)(C)C)C","DDTKMCIVLNTYAB-UHFFFAOYSA-N",3004267,NA,"PDBC55207","641830","Present",NA,NA
+"55208","[(2,2,4,4-Tetramethylcyclobutylidene)amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2,2,4,4-Tetramethylcyclobutylidene)amino]urea",NA,"CC1(CC(C1=NNC(=O)N)(C)C)C","XGTRULUXCIJMHX-UHFFFAOYSA-N",380714,NA,"PDBC55208","666421","Present",NA,NA
+"55209","[(2,4-Dinitrophenyl)thio]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ALBB-024869",NA,"C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])SCC(=O)O","RDEPTRFZTKVALC-UHFFFAOYSA-N",60055,NA,"PDBC55209","190577","Present",NA,NA
+"55210","[(2-Acetoxy-2-phenyl-acetyl)oxy-diethyl-stannyl] 2-acetoxy-2-phenyl-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4-Diethyl-2,6,9-trioxo-1,7-diphenyl-3,5,8-trioxa-4-stannadec-1-yl acetate",NA,"CC[Sn](CC)(OC(=O)C(C1=CC=CC=C1)OC(=O)C)OC(=O)C(C2=CC=CC=C2)OC(=O)C","IJBYFXLZZMMXGP-UHFFFAOYSA-L",16683246,NA,"PDBC55210","653551","Present",NA,NA
+"55211","[(2-Amino-3-methylsulfanyl-propanoyl)oxy-dibutyl-stannyl] 2-amino-3-methylsulfanyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-Amino-3-methylsulfanyl-propanoyl)oxy-dibutyl-stannyl] 2-amino-3-methylsulfanyl-propanoate",NA,"CCCC[Sn](CCCC)(OC(=O)C(CSC)N)OC(=O)C(CSC)N","DETYOARHVFQRAC-UHFFFAOYSA-L",16683180,NA,"PDBC55211","633515","Present",NA,NA
+"55212","[(2-Amino-9-propyl-9h-purin-6-yl)sulfanyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-Amino-9-propyl-9h-purin-6-yl)sulfanyl]acetic acid",NA,"CCCN1C=NC2=C1N=C(N=C2SCC(=O)O)N","PMRBNAQORARSML-UHFFFAOYSA-N",242655,NA,"PDBC55212","51470","Present",NA,NA
+"55213","[(2-Aminoacetyl)oxy-dibutyl-stannyl] 2-aminoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-Aminoacetyl)oxy-dibutyl-stannyl] 2-aminoacetate",NA,"CCCC[Sn](CCCC)(OC(=O)CN)OC(=O)CN","GRBLPHJTEPRUFT-UHFFFAOYSA-L",16683179,NA,"PDBC55213","633514","Present",NA,NA
+"55214","[(2-Benzamido-4-methyl-pentanoyl)oxy-diphenyl-plumbyl] 2-benzamido-4-methyl-pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-Benzamido-4-methyl-pentanoyl)oxy-diphenyl-plumbyl] 2-benzamido-4-methyl-pentanoate",NA,NA,NA,NA,NA,"PDBC55214","628683","Present",NA,NA
+"55215","[(2-Benzamidoacetyl)oxy-diphenyl-plumbyl] 2-benzamidoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-Benzamidoacetyl)oxy-diphenyl-plumbyl] 2-benzamidoacetate",NA,NA,NA,NA,NA,"PDBC55215","628682","Present",NA,NA
+"55216","[(2-Formamido-3-phenyl-propanoyl)oxy-diphenyl-plumbyl] 2-formamido-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-Formamido-3-phenyl-propanoyl)oxy-diphenyl-plumbyl] 2-formamido-3-phenyl-propanoate",NA,NA,NA,NA,NA,"PDBC55216","628684","Present",NA,NA
+"55217","[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-Oxido-4-phenyl-1,2,5-oxadiazol-2-ium-3-yl)methylamino]urea",NA,"C1=CC=C(C=C1)C2=NO[N+](=C2CNNC(=O)N)[O-]","UQVDHYCOEWILQZ-UHFFFAOYSA-N",390736,NA,"PDBC55217","688495","Present",NA,NA
+"55218","[(2-Oxo-5-bromo-2,3-dihydro-1H-indole)-3-ylidene]acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl (2Z)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)acetate",NA,"COC(=O)C=C1C2=C(C=CC(=C2)Br)NC1=O","RZNRCMOMGZFXQH-YVMONPNESA-N",5470983,NA,"PDBC55218","707048","Present",NA,NA
+"55219","[(2-{[(3-Amino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(N-(3-amino-1H-1,2,4-triazol-5-yl)sulfamoyl)-5-chlo...",NA,"CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NNC(=N2)N","HWPZNZMOTSZHOE-UHFFFAOYSA-N",378475,NA,"PDBC55219","661075","Present",NA,NA
+"55220","[(2-{[(3-Anilino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-{[(3-Anilino-1H-1,2,4-triazol-5-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid",NA,"CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NNC(=N2)NC3=CC=CC=C3","AKDJNADAIFOALR-UHFFFAOYSA-N",380927,NA,"PDBC55220","666713","Present",NA,NA
+"55221","[(2-{[(4-Amino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(2-(N-(4-amino-6-morpholino-1,3,5-triazin-2-yl)sulfamo...",NA,"CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NC(=NC(=N2)N)N3CCOCC3","AMIWKOQKHREBOX-UHFFFAOYSA-N",378492,NA,"PDBC55221","661092","Present",NA,NA
+"55222","[(2-{[(4-Butyl-4H-1,2,4-triazol-3-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2-{[(4-Butyl-4H-1,2,4-triazol-3-yl)amino]sulfonyl}-5-chloro-4-methylphenyl)thio]acetic acid",NA,"CCCCN1C=NN=C1NS(=O)(=O)C2=C(C=C(C(=C2)C)Cl)SCC(=O)O","RWAGUBKMSDEUSL-UHFFFAOYSA-N",378480,NA,"PDBC55222","661080","Present",NA,NA
+"55223","[(20S)-20-(N, N-Formylchonemorphine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(20S)-20-(N,N-dimethylamino)-5a-preg-3a-aminal], N-form...",NA,"CC(C1CCC2C1(CCC3C2CCC4C3(CCC(C4)NC=O)C)C)N(C)C","ZROQUMPZTDXHBC-YBFNHMLTSA-N",54612852,NA,"PDBC55223","748904","Present",NA,NA
+"55224","[(20S)-20-(N,4a-Diol]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC748903",NA,"CC=C(C)C(=O)NC1C(CC2(C(C1O)CCC3C2CCC4(C3CCC4C(C)N(C)C)C)C)O","DYGGJZQCTQNOMK-XVFBAERVSA-N",54612851,NA,"PDBC55224","748903","Present",NA,NA
+"55225","[(20S)-20-(N,N-Dimethylamino)-3a-(senecoylamino)-5a-preg-16a-O-acetate]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(20S)-20-(N,N-dimethylamino)-3a-(senecoylamino)-5a-preg...",NA,"CC(C1C(CC2C1(CCC3C2CCC4C3(CCC(C4)NC(=O)C=C(C)C)C)C)OC(=O)C)N(C)C","FSJWRRSBFGZUNB-ONLHLXOLSA-N",54612849,NA,"PDBC55225","748901","Present",NA,NA
+"55226","[(20S)-20-(N,N-Dimethylamino)-3a-(tigloylamino)-5a-preg-2a-O-acetate-4a-ol]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(20S)-20-(N,N-dimethylamino)-3a-(tigloylamino)-5a-preg-...",NA,"CC=C(C)C(=O)NC1C(CC2(C(C1O)CCC3C2CCC4(C3CCC4C(C)N(C)C)C)C)OC(=O)C","NGSUWFQYLHJISG-ROPKYEPZSA-N",54612848,NA,"PDBC55226","748900","Present",NA,NA
+"55227","[(2E)-2-Benzoyloxyiminocyclohexyl]methyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2E)-2-Benzoyloxyiminocyclohexyl]methyl-trimethylazanium;iodide",NA,"C[N+](C)(C)CC1CCCCC1=NOC(=O)C2=CC=CC=C2.[I-]","GXAIKEOIFOTGQM-HYNBPGMHSA-M",9571656,NA,"PDBC55227","640393","Present",NA,NA
+"55228","[(2E)-2-Benzoyloxyiminocyclopentyl]methyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2E)-2-Benzoyloxyiminocyclopentyl]methyl-trimethylazanium;iodide",NA,"C[N+](C)(C)CC1CCCC1=NOC(=O)C2=CC=CC=C2.[I-]","WIXSQLSNLTYJOJ-INTLEYBYSA-M",9571658,NA,"PDBC55228","640396","Present",NA,NA
+"55229","[(2E)-2-Hydroxyiminocyclohexyl]methyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2E)-2-Hydroxyiminocyclohexyl]methyl-trimethylazanium;iodide",NA,"C[N+](C)(C)CC1CCCCC1=NO.[I-]","SEHHMBWMAIIQPS-ASTDGNLGSA-N",9555821,NA,"PDBC55229","634788","Present",NA,NA
+"55230","[(2R)-2-(Hydroxymethyl)-5-oxooxolan-2-yl]methyl (Z)-octadec-9-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R)-2-(Hydroxymethyl)-5-oxooxolan-2-yl]methyl (Z)-octadec-9-enoate",NA,"CCCCCCCCC=CCCCCCCCC(=O)OCC1(CCC(=O)O1)CO","PEAIWKSTMMPPID-OPSAWKISSA-N",5470637,NA,"PDBC55230","703765","Present",NA,NA
+"55231","[(2R)-2-Hexadecanoyloxy-3-[hydroxy-[2-[3-(2-pyridyldisulfanyl)propanoylamino]ethoxy]phosphoryl]oxy-propyl] hexadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Hexadecanoyloxy-3-[hydroxy-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethoxy]phosphoryl]oxypropyl] hexadecanoate",NA,"CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O)CCSSC1=CC=CC=N1)OC(=O)CCCCCCCCCCCCCCC","FKHHBNZLKDHJAH-UHFFFAOYSA-N",393759,NA,"PDBC55231","696394","Present",NA,NA
+"55232","[(2R)-2-[(1S,2R,5S,7R,8R,10S,11S,14R,15S)-8-Methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R)-2-[(1S,2R,5S,7R,8R,10S,11S,14R,15S)-8-Methoxy-2,15-dimethyl-14-pentacyclo[8.7.0.02,7.05,7.011,15]heptadecanyl]propyl] acetate",NA,"CC(COC(=O)C)C1CCC2C1(CCC3C2CC(C45C3(CCC4C5)C)OC)C","OBXKFYVWKKLUHN-LPONOANUSA-N",386139,NA,"PDBC55232","677771","Present",NA,NA
+"55233","[(2R)-3-Methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl] 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R)-3-Methoxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl] 2,2-dimethylpropanoate",NA,"CC(C)(C)C(=O)OCC(C)(C(=O)OC)NC(=O)OC(C)(C)C","WZBSXFWDSMHYEV-OAHLLOKOSA-N",6712628,NA,"PDBC55233","701979","Present",NA,NA
+"55234","[(2R,10S,15S)-2,6,6,10-Tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,10S,15S)-2,6,6,10-Tetramethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-7-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl] acetate",NA,"CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)CO)O)O)O)C","LEUVBPJNWLQXPO-GJIHLIRSSA-N",369931,NA,"PDBC55234","642298","Present",NA,NA
+"55235","[(2R,13R,17S,18S)-2,18-Dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,13R,17S,18S)-2,18-Dimethyl-7-oxa-6,8-diazapentacyclo[11.7.0.02,10.05,9.014,18]icosa-5,8-dien-17-yl] acetate",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CCC5=NON=C45)C)C","BAZMQTKNLZZEHX-PMKRURKUSA-N",371329,NA,"PDBC55235","645460","Present",NA,NA
+"55236","[(2R,13R,17S,18S)-2,18-Dimethyl-7-oxa-6,9-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,13R,17S,18S)-2,18-Dimethyl-7-oxa-6,9-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5-dien-17-yl] acetate",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC5=C(N4)ON=C5)C)C","HPKLKMDASAMZLY-AXYCQOOYSA-N",379347,NA,"PDBC55236","663894","Present",NA,NA
+"55237","[(2R,3R)-3-Benzoyl-2,3-dimethyl-1-phenylaziridin-2-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,3R)-3-Benzoyl-2,3-dimethyl-1-phenylaziridin-2-yl]-phenylmethanone",NA,"CC1(C(N1C2=CC=CC=C2)(C)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4","HDRBXGSPQHHEPE-ZEQRLZLVSA-N",6711339,NA,"PDBC55237","620130","Present",NA,NA
+"55238","[(2R,3R)-8-[(5R,5Ar,8aR,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,3R)-8-[(5R,5Ar,8aR,9S)-5-(4-hydroxy-3,5-dimethoxyphenyl)-6-oxo-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl]",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)C6=C(C=C(C7=C6OC(C(C7)OC(=O)C8=CC(=C(C(=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O","IIDUOFFTAYYRME-HMOYCCJZSA-N",397860,NA,"PDBC55238","706483","Present",NA,NA
+"55239","[(2R,3R)-8-[(5R,5Ar,8aR,9S)-6-oxo-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,3R)-8-[(5R,5Ar,8aR,9S)-6-oxo-5-(3,4,5-trimethoxyphenyl)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-9-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)C6=C(C=C(C7=C6OC(C(C7)OC(=O)C8=CC(=C(C(=C8)O)O)O)C9=CC(=C(C=C9)O)O)O)O","KOIXEDMUJUZLJA-HTJQZNAQSA-N",397859,NA,"PDBC55239","706482","Present",NA,NA
+"55240","[(2R,3S)-4-[(4S,5R,13S,15S)-4-Hydroxy-13-methyl-5-(2-methylpropyl)-2,12,14-trioxo-15-propan-2-yl-1-oxa-6,11-diazacyclopentadec-6-yl]-3-[[(2R)-2-[[1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-methylamino]-4-methylpentanoyl]amino]-4-oxobutan-2-yl] (2S)-2-[acetyl(methyl)amino]-3-(4-methoxyphenyl)propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,3S)-4-[(4S,5R,13S,15S)-4-Hydroxy-13-methyl-5-(2-methylpropyl)-2,12,14-trioxo-15-propan-2-yl-1-oxa-6,11-diazacyclopentadec-6-yl]-3-[[(2R)-2-[[1-[(2S)-2-hydroxypropanoyl]pyrrolidine-2-carbonyl]-met",NA,"CC1C(=O)C(OC(=O)CC(C(N(CCCCNC1=O)C(=O)C(C(C)OC(=O)C(CC2=CC=C(C=C2)OC)N(C)C(=O)C)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)CC(C)C)O)C(C)C","VDCJWCWXHGCTBX-LBMBESCRSA-N",5469696,NA,"PDBC55240","691532","Present",NA,NA
+"55241","[(2R,3S,4R,5R)-3,4-Dihydroxy-5-(9H-purin-9-yl)-tetrahydrofuran-2-yl]methyl N-methylsulfamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-purin-9-yl)-tetrahydr...",NA,"CNS(=O)(=O)OCC1C(C(C(O1)N2C=NC3=CN=CN=C32)O)O","XXKPGGIDSSIXCU-UHFFFAOYSA-N",60147777,NA,"PDBC55241","752406","Present",NA,NA
+"55242","[(2R,3S,4R,5R)-5-(6-Chloropurin-9-yl)-4-hydroxy-2-(trityloxymethyl)oxolan-3-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,3S,4R,5R)-5-(6-Chloropurin-9-yl)-4-hydroxy-2-(trityloxymethyl)oxolan-3-yl] benzoate",NA,"C1=CC=C(C=C1)C(=O)OC2C(OC(C2O)N3C=NC4=C3N=CN=C4Cl)COC(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7","SPFCAZDEKOSXNR-UTBAFCPYSA-N",401669,NA,"PDBC55242","715399","Present",NA,NA
+"55243","[(2R,4R,6S,10S,11S)-2,8-Diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,4R,6S,10S,11S)-2,8-Diacetyloxy-6-hydroxy-5,5,9-trimethyl-14-methylidene-3,15-dioxo-11-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate",NA,"CC(=O)OC1CC2CC3(C1C4(C(CC(C(C4C(=O)C3OC(=O)C)(C)C)O)OC(=O)C)C)C(=O)C2=C","WQVYSFSBBFDGRG-BIAOQMDSSA-N",377385,NA,"PDBC55243","658828","Present",NA,NA
+"55244","[(2R,4S)-4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]methyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,4S)-4-Hydroxy-4-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-oxooxolan-2-yl]methyl thiocyanate",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)C4(CC(OC4=O)CSC#N)O","MGBUCTJSPXJVHS-VFNWGFHPSA-N",24936180,NA,"PDBC55244","743897","Present",NA,NA
+"55245","[(2R,5S)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[2-[4-[2-[4-[[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-yl]oxyethyl]piperazin-1-yl]ethoxy]quinolin-4-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,5S)-5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl]-[6-[2-[4-[2-[4-[[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-yl]oxyethyl]piperazin-1-yl]ethoxy]quinolin-4-yl]methanol",NA,"CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OCCN5CCN(CC5)CCOC6=CC7=C(C=CN=C7C=C6)C(C8CC9CCN8CC9CC)O)O","RIDAKPSCGYLUOB-VLSFUPFOSA-N",397590,NA,"PDBC55245","705931","Present",NA,NA
+"55246","[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]-methylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(dibenzylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-meth",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N(C)C(C)C(=O)OC(C(C)C)C(=O)N2C(C(=CC2=O)OC)CC3=CC=CC=C3)NC(=O)C(C(C)C)N(CC4=CC=CC=C4)CC5=CC=CC=C5","DIOPHCBJXPKRPH-LXLWALGQSA-N",5470781,NA,"PDBC55246","704966","Present",NA,NA
+"55247","[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methy",NA,"CCCCCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4","OBBNHSFBTPUMDY-YPLZCVELSA-N",397353,NA,"PDBC55247","704963","Present",NA,NA
+"55248","[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-(hexanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-4-methy",NA,"CCCCCC(=O)NC(C(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4","ZJVGNWVIWHOOST-GPMHJMGWSA-N",397352,NA,"PDBC55248","704962","Present",NA,NA
+"55249","[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-4-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]butanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2S)-1-[(2S)-2-Benzyl-3-methoxy-5-oxo-2H-pyrrol-1-yl]-3-methyl-1-oxobutan-2-yl] (2S)-1-[(2S)-1-[(2S)-4-methyl-2-[methyl-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]b",NA,"CC(C)CC(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)OCC5=CC=CC=C5","NPZPWJBXDUFVSE-JPTQGGKCSA-N",397354,NA,"PDBC55249","704964","Present",NA,NA
+"55250","[(2S,3S)-2-Methyl-3-(4-trimethylsilylbut-3-ynyl)oxiran-2-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2S,3S)-2-Methyl-3-(4-trimethylsilylbut-3-ynyl)oxiran-2-yl]methanol",NA,"CC1(C(O1)CCC#C[Si](C)(C)C)CO","HBCXMCCENZMPCU-QWRGUYRKSA-N",359273,NA,"PDBC55250","619989","Present",NA,NA
+"55251","[(2S,4As,4bS,6aS,6bS,10aR,11aS,11bR,13aS)-4a,6a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a,11b,12,13,13a-tetradecahydro-1H-indeno[2,1-a]phenanthren-2-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4a,6a,9-trimethyl-6,7-dioxo-2,3,4,4b,5,6b,10,10a,11,11a...",NA,"CC1=CC(=O)C2C(C1)CC3C2(C(=O)CC4C3CCC5C4(CCC(C5)OC(=O)C)C)C","XQNWOIOMJJWHCN-COSCTRPYSA-N",246496,NA,"PDBC55251","59620","Present",NA,NA
+"55252","[(2S,4R,5As,6S,9R,9aR,10S,10aS)-2,4,5,8,10-pentaacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethylspiro[2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene-9,2'-oxirane]-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2S,4R,5As,6S,9R,9aR,10S,10aS)-2,4,5,8,10-pentaacetyloxy-10a-(2-hydroxypropan-2-yl)-3,5a-dimethylspiro[2,4,5,6,7,8,9a,10-octahydro-1H-benzo[f]azulene-9,2'-oxirane]-6-yl] acetate",NA,"CC1=C2C(C(C3(C(CC(C4(C3C(C2(CC1OC(=O)C)C(C)(C)O)OC(=O)C)CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C","LFORUQDCIMULOP-XNQJFUBOSA-N",380411,NA,"PDBC55252","665933","Present",NA,NA
+"55253","[(2Z)-2-Hydroxyiminocyclopentyl]methyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2Z)-2-Hydroxyiminocyclopentyl]methyl-trimethylazanium;iodide",NA,"C[N+](C)(C)CC1CCCC1=NO.[I-]","IIPKWZYFAQHLPP-KVVVOXFISA-N",6516931,NA,"PDBC55253","640394","Present",NA,NA
+"55254","[(2Z)-2-[(4-Dimethylaminophenyl)methylene]-3-oxo-benzofuran-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2Z)-2-[(4-Dimethylaminophenyl)methylene]-3-oxo-benzofuran-6-yl] acetate",NA,"CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC=C(C=C3)N(C)C)O2","WQOVTXHVIUZZLJ-ZDLGFXPLSA-N",5467629,NA,"PDBC55254","657014","Present",NA,NA
+"55255","[(2Z,6Z)-2,6-Dibenzylidenecyclohexylidene]hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC634799",NA,"C1CC(=CC2=CC=CC=C2)C(=NN)C(=CC3=CC=CC=C3)C1","YJIFDRJIONYQLR-DJTQBEGKSA-N",54608109,NA,"PDBC55255","634799","Present",NA,NA
+"55256","[(3,4,5-Trimethoxyphenyl)methylamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(3,4,5-Trimethoxybenzyl)isothiosemicarbazide",NA,"COC1=CC(=CC(=C1OC)OC)CNNC(=S)N","NGOKNDZTHQMCKY-UHFFFAOYSA-N",3005151,NA,"PDBC55256","677630","Present",NA,NA
+"55257","[(3-Aminopyrazine-2-carbonyl)oxy-dibutyl-stannyl] 3-aminopyrazine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3-Aminopyrazine-2-carbonyl)oxy-dibutyl-stannyl] 3-aminopyrazine-2-carboxylate",NA,"CCCC[Sn](CCCC)(OC(=O)C1=NC=CN=C1N)OC(=O)C2=NC=CN=C2N","SQZIOUNIRRFYJM-UHFFFAOYSA-L",16683207,NA,"PDBC55257","643863","Present",NA,NA
+"55258","[(39R)-1,2,2,14,15,16,19,20,21,35,36-Undecahydroxy-3,6,11,24,32-pentaoxo-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-29-yl] 3,4,5-trihydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(39R)-1,2,2,14,15,16,19,20,21,35,36-Undecahydroxy-3,6,11,24,32-pentaoxo-7,10,25,28,31,40-hexaoxaoctacyclo[35.2.1.05,39.08,27.09,30.012,17.018,23.033,38]tetraconta-4,12,14,16,18,20,22,33,35,37-decaen-",NA,"C1C2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7C(=CC(=O)C(C7(O6)O)(O)O)C(=O)O3)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O","WTKZYPVTAXZSEM-RUSDYTCLSA-N",385554,NA,"PDBC55258","676826","Present",NA,NA
+"55259","[(3Ar,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (S)-2,4,6-trimethylbenzenesulfinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3Ar,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] (S)-2,4,6-trimethylbenzenesulfinate",NA,"CC1=CC(=C(C(=C1)C)S(=O)OC2C(OC3C2OC(O3)(C)C)C4COC(O4)(C)C)C","FIQAIBUCIBDYRD-CVONMXRASA-N",9572384,NA,"PDBC55259","714121","Present",NA,NA
+"55260","[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-phenylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(1r,6r)-7,9-Dibenzyl-8-oxo-7,9-diaza-8$l5-phosphabicyclo[4.3.0]nonan-8-yl]-phenyl-methanol",NA,"C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C4=CC=CC=C4)O)CC5=CC=CC=C5","JGHALCFETFWGAJ-QMMNWOAZSA-N",397402,NA,"PDBC55260","705143","Present",NA,NA
+"55261","[(3As,4S,6E,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-1-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[c]furan-4-yl] 3,4-dihydroxy-2-methylidenebutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Butanoic acid, 3,4-dihydroxy-2-methylene-, 1,3,3a,4,5,8,...",NA,"CC1=CCCC(=CC2C(C(C1)OC(=O)C(=C)C(CO)O)C(=C)OC2=O)CO","DPWXYEHGIIDURG-DJXTZVIASA-N",5471234,NA,"PDBC55261","709858","Present",NA,NA
+"55262","[(3As,5R,6S,9E,14S,15R,15aR)-5-hydroxy-10,14-dimethyl-3-methylidene-2-oxospiro[4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-6,2'-oxirane]-15-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3As,5R,6S,9E,14S,15R,15aR)-5-hydroxy-10,14-dimethyl-3-methylidene-2-oxospiro[4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-6,2'-oxirane]-15-yl] acetate",NA,"CC1CCCC(=CCCC2(CO2)C(CC3C(C1OC(=O)C)OC(=O)C3=C)O)C","QOGINEPHTVUIRP-GNMARJRQSA-N",24205887,NA,"PDBC55262","737080","Present",NA,NA
+"55263","[(3E)-3-[(4-Chlorophenyl)methylene]-5,7-dimethyl-1,2-dihydrocyclopenta[b]quinolin-9-yl]-(2-piperidyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(4-Chlorobenzylidene)-5,7-dimethyl-2,3-dihydro-1H-cyc...",NA,"CC1=CC(=C2C(=C1)C(=C3CCC(=CC4=CC=C(C=C4)Cl)C3=N2)C(C5CCCCN5)O)C","RBWRXGUYQAVWHA-XDJHFCHBSA-N",5384084,NA,"PDBC55263","305821","Present",NA,NA
+"55264","[(3E,8R,10R,13S,17S)-10,13-Dimethyl-3-(phenylcarbamoyloxyimino)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3E,8R,10R,13S,17S)-10,13-Dimethyl-3-(phenylcarbamoyloxyimino)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-phenylcarbamate",NA,"CC12CCC3C(C1CCC2OC(=O)NC4=CC=CC=C4)CCC5=CC(=NOC(=O)NC6=CC=CC=C6)CCC35C","KXCPDFHIHPGJME-VGVXAYGVSA-N",9569953,NA,"PDBC55264","629222","Present",NA,NA
+"55265","[(3E,8R,10R,13S,17S)-3-(Ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3E,8R,10R,13S,17S)-3-(Ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] N-ethylcarbamate",NA,"CCNC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NOC(=O)NCC)CCC34C)C","ODSCMQMBEHYDCG-OFUCJYHJSA-N",9569952,NA,"PDBC55265","629221","Present",NA,NA
+"55266","[(3E,8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-[(9-oxo-10H-acridine-4-carbonyl)hydrazinylidene]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3E,8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-[(9-oxo-10H-acridine-4-carbonyl)hydrazinylidene]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate",NA,"CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NNC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34C)C","BTFNYAYBMALJRU-OCTMWCKJSA-N",9571992,NA,"PDBC55266","683413","Present",NA,NA
+"55267","[(3R,13S)-13-Acetyloxy-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.03,7]tridec-5-en-2-yl] (E)-2-methylbut-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3R,13S)-13-Acetyloxy-3,8-dimethyl-12-methylidene-4,11-dioxo-10-oxatricyclo[7.3.1.03,7]tridec-5-en-2-yl] (E)-2-methylbut-2-enoate",NA,"CC=C(C)C(=O)OC1C2C(C(C(C3C1(C(=O)C=C3)C)C)OC(=O)C2=C)OC(=O)C","PXHXEAQQWSRAOZ-CHYMYXIBSA-N",5459235,NA,"PDBC55267","655978","Present",NA,NA
+"55268","[(3R,3Ar,6R,9E,14S,15R,15aR)-3,6-dihydroxy-6,10,14-trimethyl-2,5-dioxo-3-(oxolan-2-ylmethyl)-3a,4,7,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3R,3Ar,6R,9E,14S,15R,15aR)-3,6-dihydroxy-6,10,14-trimethyl-2,5-dioxo-3-(oxolan-2-ylmethyl)-3a,4,7,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate",NA,"CC1CCCC(=CCCC(C(=O)CC2C(C1OC(=O)C)OC(=O)C2(CC3CCCO3)O)(C)O)C","MSLHPYQRTZTNEH-REQRMDPCSA-N",5470113,NA,"PDBC55268","697734","Present",NA,NA
+"55269","[(3R,4Ar,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3R,4Ar,5S,6S,6aS,10S,10aR,10bS)-5-acetyloxy-3-ethenyl-6,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2H-benzo[f]chromen-10-yl] acetate",NA,"CC(=O)OC1CCC(C2C1(C3(C(=O)CC(OC3(C(C2O)OC(=O)C)C)(C)C=C)O)C)(C)C","YUEPOKPCXPPNOO-AQLRWBRBSA-N",396205,NA,"PDBC55269","701757","Present",NA,NA
+"55270","[(3R,4R,7R,10S)-10-Methyl-2-oxo-1-azatricyclo[5.2.1.04,10]decan-3-yl] N-(3,5-dinitrophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3R,4R,7R,10S)-10-Methyl-2-oxo-1-azatricyclo[5.2.1.04,10]decan-3-yl] N-(3,5-dinitrophenyl)carbamate",NA,"CC12C3CCC1C(C(=O)N2CC3)OC(=O)NC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","JAOHKPLLZFHAMM-RHGUUREFSA-N",394167,NA,"PDBC55270","697403","Present",NA,NA
+"55271","[(3R,5R,8E,13S,14R,15R)-5,9,13-Trimethyl-17-oxospiro[4,16-dioxatricyclo[13.3.0.03,5]octadec-8-ene-18,1'-cyclopropane]-14-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3R,5R,8E,13S,14R,15R)-5,9,13-Trimethyl-17-oxospiro[4,16-dioxatricyclo[13.3.0.03,5]octadec-8-ene-18,1'-cyclopropane]-14-yl] acetate",NA,"CC1CCCC(=CCCC2(C(O2)CC3C(C1OC(=O)C)OC(=O)C34CC4)C)C","ZCMSZTPVBJJZSP-DDYAOXFSSA-N",24204964,NA,"PDBC55271","733756","Present",NA,NA
+"55272","[(3R,5S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] N-(2-chloroethyl)-N-nitrosocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Androstan-17-one, 3-[[[(2-chloroethyl)nitrosoamino]carbo...",NA,"CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)OC(=O)N(CCCl)N=O","FULFKXIGCUQZJE-WSKGSGNSSA-N",320802,NA,"PDBC55272","269720","Present",NA,NA
+"55273","[(3R,6R,9S,11S,16S)-11-Hydroxy-3,7,7,12,16-pentamethyl-15-[(2S)-6-methylheptan-2-yl]-2,10-dioxo-18-oxapentacyclo[9.6.1.01,9.03,8.012,16]octadecan-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,11-Cyclo-8,9-secolanostane-7,9-dione, 3-acetoxy-8,11-e...",NA,"CC(C)CCCC(C)C1CCC2(C1(CC34C(C5C(C(CCC5(C3=O)C)OC(=O)C)(C)C)C(=O)C2(O4)O)C)C","PGYZEUKBMCWBFW-PGXZUDPJSA-N",369140,NA,"PDBC55273","640685","Present",NA,NA
+"55274","[(3R,8R,9S,10S,13R,14S,17R)-17-[(2R)-4-(1H-Benzimidazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] (4R)-4-[(3R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[17-[4-(1H-Benzimidazol-2-yl)butan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17",NA,"CC(CCC1=NC2=CC=CC=C2N1)C3CCC4C3(CCC5C4CCC6C5(CCC(C6)OC(=O)CCC(C)C7CCC8C7(CCC9C8CCC1C9(CCC(C1)O)C)C)C)C","FVFGIQLUIUFCAN-CRYMTLSNSA-N",389740,NA,"PDBC55274","686336","Present",NA,NA
+"55275","[(3S)-1-(3,3-Dimethyloxiran-2-yl)-3-[(10R,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S)-1-(3,3-Dimethyloxiran-2-yl)-3-[(10R,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]butyl] acetate",NA,"CC(CC(C1C(O1)(C)C)OC(=O)C)C2CCC3(C2(CCC4C3=CCC5C4(CCC(=O)C5(C)C)C)C)C","KFPACOJXQVOAQP-RARVQIKXSA-N",374819,NA,"PDBC55275","653156","Present",NA,NA
+"55276","[(3S)-11-Oxatricyclo[5.3.1.04,8]undec-9-en-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4S)-1,2,3,3a,4,5,6,8a-Octahydro-1,6-epoxyazulen-4-yl acetate",NA,"CC(=O)OC1CC2C=CC3C1CCC3O2","GEHSQLAXYPSWLX-SXVYVOEYSA-N",360878,NA,"PDBC55276","623561","Present",NA,NA
+"55277","[(3S)-2,2-Dimethyloxolan-3-yl]-trimethylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC617395",NA,"CC1(C(CCO1)[Si](C)(C)C)C","IRXASZBEXTYLRL-QMMMGPOBSA-N",357862,NA,"PDBC55277","617395","Present",NA,NA
+"55278","[(3S)-6-(Aziridin-1-yl)-4,7-dimethyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S)-6-(Aziridin-1-yl)-4,7-dimethyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl] acetate",NA,"CC1=C2C(CCN2C3=C1C(=O)C(=C(C3=O)C)N4CC4)OC(=O)C","LUTXTTREGCEHPJ-NSHDSACASA-N",6712233,NA,"PDBC55278","661963","Present",NA,NA
+"55279","[(3S,3As,5aS,6R,7R,9aR,9bS)-3-acetyloxy-3a-methyl-7-(2-methyl-1,3-dithiolan-2-yl)-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,3As,5aS,6R,7R,9aR,9bS)-3-acetyloxy-3a-methyl-7-(2-methyl-1,3-dithiolan-2-yl)-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl acetate",NA,"CC(=O)OCC1C2CCC3(C(C2CCC1C4(SCCS4)C)CCC3OC(=O)C)C","XBIHRHJXBALPME-PBBQUWACSA-N",386135,NA,"PDBC55279","677767","Present",NA,NA
+"55280","[(3S,3As,5aS,6S,7R,9aR,9bS)-3-acetyloxy-7-ethyl-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,3As,5aS,6S,7R,9aR,9bS)-3-acetyloxy-7-ethyl-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl acetate",NA,"CCC1CCC2C(C1COC(=O)C)CCC3(C2CCC3OC(=O)C)C","KTPROZQWZVXYMH-LZZNHIFKSA-N",386132,NA,"PDBC55280","677764","Present",NA,NA
+"55281","[(3S,3As,5aS,6S,7R,9aR,9bS)-6-acetyl-7-ethyl-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl] nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,3As,5aS,6S,7R,9aR,9bS)-6-acetyl-7-ethyl-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl] nitrate",NA,"CCC1CCC2C(C1C(=O)C)CCC3(C2CCC3O[N+](=O)[O-])C","AZEBAYZZAXVFTI-RHEFHGCGSA-N",386140,NA,"PDBC55281","677772","Present",NA,NA
+"55282","[(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-3a-methyl-3-(4-methylphenyl)sulfonyloxy-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-3a-methyl-3-(4-methylphenyl)sulfonyloxy-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-6-yl]methyl 4-methylbenzenesulfonate",NA,"CCC1CCC2C(C1COS(=O)(=O)C3=CC=C(C=C3)C)CCC4(C2CCC4OS(=O)(=O)C5=CC=C(C=C5)C)C","QPHQDRSQALTOSN-WKLWZEOCSA-N",386133,NA,"PDBC55282","677765","Present",NA,NA
+"55283","[(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-6-(hydroxymethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,3As,5aS,6S,7R,9aR,9bS)-7-ethyl-6-(hydroxymethyl)-3a-methyl-1,2,3,4,5,5a,6,7,8,9,9a,9b-dodecahydrocyclopenta[a]naphthalen-3-yl] 4-methylbenzenesulfonate",NA,"CCC1CCC2C(C1CO)CCC3(C2CCC3OS(=O)(=O)C4=CC=C(C=C4)C)C","UMPTWOMMZSTSRF-DXNNJSPRSA-N",386134,NA,"PDBC55283","677766","Present",NA,NA
+"55284","[(3S,4Ar,6aR,6bS,8aS,11S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,14b-heptamethyl-11-(4-methylpiperazine-1-carbonyl)-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl] pyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-nicotinoyloxy-11-Deoxy-12(13)-en-18.beta.-olean-30-N-m...",NA,"CC1(C2CCC3(C(C2(CCC1OC(=O)C4=CN=CC=C4)C)CC=C5C3(CCC6(C5CC(CC6)(C)C(=O)N7CCN(CC7)C)C)C)C)C","IZJFVCKBRYXULH-HSPCMIHISA-N",155813661,NA,"PDBC55284","794988","Present",NA,NA
+"55285","[(3S,4S,5R)-3,4,5-Tris(phenylmethoxy)-3-(phenylmethoxymethyl)cyclopenten-1-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{(3s,4s,5r)-3,4,5-Tris(benzyloxy)-3-[(benzyloxy)methyl]cyclopent-1-en-1-yl}methanol",NA,"C1=CC=C(C=C1)COCC2(C=C(C(C2OCC3=CC=CC=C3)OCC4=CC=CC=C4)CO)OCC5=CC=CC=C5","QLCUNDNHKBYBLE-PLJDCMBSSA-N",403445,NA,"PDBC55285","718308","Present",NA,NA
+"55286","[(3S,8R,10R,13S,17E)-10,13-Dimethyl-17-(phenylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,10R,13S,17E)-10,13-Dimethyl-17-(phenylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-phenylcarbamate",NA,"CC12CCC3C(C1CCC2=NOC(=O)NC4=CC=CC=C4)CC=C5C3(CCC(C5)OC(=O)NC6=CC=CC=C6)C","VSUCFBFLXLOUDT-HRIYISDVSA-N",9569960,NA,"PDBC55286","629229","Present",NA,NA
+"55287","[(3S,8R,10R,13S,17E)-10,13-Dimethyl-17-(propan-2-ylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-propan-2-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,10R,13S,17E)-10,13-Dimethyl-17-(propan-2-ylcarbamoyloxyimino)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-propan-2-ylcarbamate",NA,"CC(C)NC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=NOC(=O)NC(C)C)C)C","YXEKBLFIQYTWRW-JKLLGFKGSA-N",9569959,NA,"PDBC55287","629228","Present",NA,NA
+"55288","[(3S,8R,10R,13S,17E)-17-(Ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,10R,13S,17E)-17-(Ethylcarbamoyloxyimino)-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] N-ethylcarbamate",NA,"CCNC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=NOC(=O)NCC)C)C","SNAZURKPPNBWIB-MTRGYMOUSA-N",9569958,NA,"PDBC55288","629227","Present",NA,NA
+"55289","[(3S,8R,9S,10R,13S,14S,16E)-16-(1-Acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,9S,10R,13S,14S,16E)-16-(1-Acetyloxy-2,2,2-trifluoroethylidene)-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=C(C(F)(F)F)OC(=O)C)C4=O)C)C","NBJBKSDSMJNQOA-WDOOFUNQSA-N",5351782,NA,"PDBC55289","45238","Present",NA,NA
+"55290","[(3S,8R,9S,10R,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,9S,10R,13S,14S,16E)-16-[(3,4-Dimethoxyphenyl)methylidene]-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OC)OC)C4=O)C)C","VKZSCDXXGOZHPA-UGZGSORHSA-N",5472094,NA,"PDBC55290","716257","Present",NA,NA
+"55291","[(3S,8R,9S,10R,13S,14S,16E)-17-Acetyloxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,9S,10R,13S,14S,16E)-17-Acetyloxy-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4OC(=O)C)C)C","LPQBBBAIRRNDKR-QZYIBOFTSA-N",5472378,NA,"PDBC55291","718181","Present",NA,NA
+"55292","[(3S,8R,9S,10R,13S,14S,16E,17E)-16-[(3,4-Dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,9S,10R,13S,14S,16E,17E)-16-[(3,4-Dimethoxyphenyl)methylidene]-17-hydroxyimino-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C=C5)OC)OC)C4=NO)C)C","VGDMOUVTAYOVRG-ZQCDUPHKSA-N",9572442,NA,"PDBC55292","716258","Present",NA,NA
+"55293","[(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(3,4,5-trimethoxyphenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C4=NO)C)C","DHMSZZBPGVEVKA-MMOVUQPMSA-N",9572139,NA,"PDBC55293","704615","Present",NA,NA
+"55294","[(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,9S,10R,13S,14S,16E,17E)-17-Hydroxyimino-10,13-dimethyl-16-[(4-nitrophenyl)methylidene]-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=C(C=C5)[N+](=O)[O-])C4=NO)C)C","BSDBXUPFVLTTMJ-VGPXVDLESA-N",9572505,NA,"PDBC55294","718182","Present",NA,NA
+"55295","[(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,9S,10R,13S,14S,16E,17S)-10,13-Dimethyl-16-(pyridin-4-ylmethylidene)-3-pyrrolidin-1-yl-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate",NA,"CC(=O)OC1C(=CC2=CC=NC=C2)CC3C1(CCC4C3CC=C5C4(CCC(C5)N6CCCC6)C)C","OJAAWDGEXQJLCI-FPESOCRRSA-N",5472325,NA,"PDBC55295","717881","Present",NA,NA
+"55296","[(3S,8R,9S,10R,13S,14S,16E,17S)-17-Acetyloxy-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,9S,10R,13S,14S,16E,17S)-17-Acetyloxy-10,13-dimethyl-16-(pyridin-4-ylmethylidene)-1,2,3,4,7,8,9,11,12,14,15,17-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=NC=C5)C4OC(=O)C)C)C","CMSBUXXZEVCUFQ-GUOSOVQJSA-N",5472324,NA,"PDBC55296","717880","Present",NA,NA
+"55297","[(3S,8R,9S,10R,13S,14S,16Z)-16-Benzylidene-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8R,9S,10R,13S,14S,16Z)-16-Benzylidene-10,13-dimethyl-17-oxo-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=CC=C5)C4=O)C)C","PYLBSMLISGOFKG-YMHDCCJSSA-N",5470424,NA,"PDBC55297","701569","Present",NA,NA
+"55298","[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3S,8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C)C","RTQXQLKHWVEXNQ-WCNVUWMOSA-N",388470,NA,"PDBC55298","683410","Present",NA,NA
+"55299","[(3S,8S,9S,10R,13S,14S,17S)-17-[1-Acetyl-5-(trifluoromethyl)pyrazol-3-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3S,8S,9R,10S,13R)-17-(1-acetyl-5-(trifluoro methyl)-1H-...",NA,"CC(=O)N1C(=CC(=N1)C2CCC3C2(CCC4C3CC=C5C4(CCC(C5)OC(=O)C)C)C)C(F)(F)F","BXVQIEJJUANJMC-MKPDMXAPSA-N",256249,NA,"PDBC55299","82803","Present",NA,NA
+"55300","[(3Z)-4-Chloro-2,4-dinitro-1-(phenylamino)buta-1,3-dienyl]phenylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3Z)-4-Chloro-2,4-dinitro-1-(phenylamino)buta-1,3-dienyl]phenylamine",NA,"C1=CC=C(C=C1)NC(=C(C=C([N+](=O)[O-])Cl)[N+](=O)[O-])NC2=CC=CC=C2","VYVDOOMQLARZRX-RVDMUPIBSA-N",5987298,NA,"PDBC55300","665091","Present",NA,NA
+"55301","[(3Z,4As,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-8-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3Z,4As,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3-[(3,4,5-trimethoxyphenyl)methylidene]-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-8-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC(=C(C(=C5)OC)OC)OC)C(=O)N4)C)C","OYRVVBUIWZNOHT-JRAMQBISSA-N",5470704,NA,"PDBC55301","704616","Present",NA,NA
+"55302","[(3Z,4As,4bR,8S,10aR,10bS,12aS)-3-benzylidene-10a,12a-dimethyl-2-oxo-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-8-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3Z,4As,4bR,8S,10aR,10bS,12aS)-3-benzylidene-10a,12a-dimethyl-2-oxo-1,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydronaphtho[2,1-f]quinolin-8-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=CC5=CC=CC=C5)C(=O)N4)C)C","IADJBMCPHMICMU-YMHDCCJSSA-N",5470426,NA,"PDBC55302","701571","Present",NA,NA
+"55303","[(3Z,8R,9S,10S,13S,14S,17S)-1,10,13-Trimethyl-3-[(9-oxo-10H-acridine-4-carbonyl)hydrazinylidene]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(3Z,8R,9S,10S,13S,14S,17S)-1,10,13-Trimethyl-3-[(9-oxo-10H-acridine-4-carbonyl)hydrazinylidene]-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate",NA,"CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4C3(C(=CC(=NNC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C4)C)C)C","IXKSTPXHJUWVSN-XKFASRJFSA-N",9572002,NA,"PDBC55303","684410","Present",NA,NA
+"55304","[(4-Aminobenzoyl)oxy-diphenyl-plumbyl] 4-aminobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4-Aminobenzoyl)oxy-diphenyl-plumbyl] 4-aminobenzoate",NA,NA,NA,NA,NA,"PDBC55304","628686","Present",NA,NA
+"55305","[(4-Chlorobenzoyl)amino] 4-nitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4-Chlorobenzoyl)amino] 4-nitrobenzoate",NA,"C1=CC(=CC=C1C(=O)ONC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-]","RNPHCBRPUFTNMF-UHFFFAOYSA-N",368368,NA,"PDBC55305","639228","Present",NA,NA
+"55306","[(4-Fluoro-benzenesulfonyl)-methyl-amino]-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBKinase1_003803",NA,"CN(CC(=O)O)S(=O)(=O)C1=CC=C(C=C1)F","LWYIAFIJPSFZQQ-UHFFFAOYSA-N",362745,NA,"PDBC55306","627000","Present",NA,NA
+"55307","[(4-Methoxyphenyl)(nitroso)amino]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-nitroso-N-(p-anisyl)glycine",NA,"COC1=CC=C(C=C1)N(CC(=O)O)N=O","MBYDBHKSYFMVSP-UHFFFAOYSA-N",274998,NA,"PDBC55307","121384","Present",NA,NA
+"55308","[(4-Methoxyphenyl)amino]acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4-Methoxyphenyl)amino]acetonitrile",NA,"COC1=CC=C(C=C1)NCC#N","OWNQIZJEBGJLSW-UHFFFAOYSA-N",90640,NA,"PDBC55308","617261","Present",NA,NA
+"55309","[(4-Methyl-1,3-thiazol-2-yl)amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4-Methyl-1,3-thiazol-2-yl)amino]urea",NA,"CC1=CSC(=N1)NNC(=O)N","GZNPCYCBTSMTMV-UHFFFAOYSA-N",389965,NA,"PDBC55309","686667","Present",NA,NA
+"55310","[(4-Methylphenyl)methyl](triphenyl)arsanium bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-131513",NA,"CC1=CC=C(C=C1)C[As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Br-]","BHDARVXTPHCSMI-UHFFFAOYSA-M",10672721,NA,"PDBC55310","131513","Present",NA,NA
+"55311","[(4-Phenyl-1,3-thiazol-2-yl)amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL436714",NA,"C1=CC=C(C=C1)C2=CSC(=N2)NNC(=O)N","PZDKXJUXQBXNCL-UHFFFAOYSA-N",388577,NA,"PDBC55311","683589","Present",NA,NA
+"55312","[(4-Sulfamoylphenyl)methylamino] diethylaminomethanedithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4-Sulfamoylphenyl)methylamino] diethylaminomethanedithioate",NA,"CCN(CC)C(=S)SNCC1=CC=C(C=C1)S(=O)(=O)N","WKAREKARIQSGHN-UHFFFAOYSA-N",395823,NA,"PDBC55312","700715","Present",NA,NA
+"55313","[(4-nitrophenyl)[?]yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4-nitrophenyl)[?]yl] acetate",NA,"CC(=O)OC1C2CCC1C3C2N=NN3C4=CC=C(C=C4)[N+](=O)[O-]","HTDOPPBDHXBYCB-UHFFFAOYSA-N",392965,NA,"PDBC55313","694179","Present",NA,NA
+"55314","[(4Br,12aS)-12a-methyl-1,3-dioxo-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Br,12aS)-12a-methyl-1,3-dioxo-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] acetate",NA,"CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CC(=O)NC4=O)C","VBDBRXBVNJZZGY-FCULAJGNSA-N",376244,NA,"PDBC55314","656927","Present",NA,NA
+"55315","[(4Br,12aS)-2-butyl-12a-methyl-1,3-dioxo-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Br,12aS)-2-butyl-12a-methyl-1,3-dioxo-4,4a,4b,5,6,10b,11,12-octahydronaphtho[2,1-f]isoquinolin-8-yl] acetate",NA,"CCCCN1C(=O)CC2C3CCC4=C(C3CCC2(C1=O)C)C=CC(=C4)OC(=O)C","IDRPPAXCLPSHQJ-UZSNPODYSA-N",379349,NA,"PDBC55315","663896","Present",NA,NA
+"55316","[(4Br,8S,10aR,12aS)-10a,12a-dimethyl-1,3-dioxo-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinolin-8-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Br,8S,10aR,12aS)-10a,12a-dimethyl-1,3-dioxo-4a,4b,5,7,8,9,10,10b,11,12-decahydro-4H-naphtho[2,1-f]isoquinolin-8-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(=O)NC4=O)C)C","FOXNKNXXDGRBFV-AFRXSRFJSA-N",371330,NA,"PDBC55316","645461","Present",NA,NA
+"55317","[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl hexanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E)-2-(Hydroxymethyl)-4-(4-methyl-3-propan-2-ylpentylidene)-5-oxooxolan-2-yl]methyl hexanoate",NA,"CCCCCC(=O)OCC1(CC(=CCC(C(C)C)C(C)C)C(=O)O1)CO","BWJOJZPMFILAAD-LICLKQGHSA-N",5470618,NA,"PDBC55317","703745","Present",NA,NA
+"55318","[(4E)-4-(3,4-Dimethylisoxazol-5-yl)imino-1-oxo-2-naphthyl] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E)-4-(3,4-Dimethylisoxazol-5-yl)imino-1-oxo-2-naphthyl] 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=NC3=C(C(=NO3)C)C)C4=CC=CC=C4C2=O","PTJQWEXIOZXVGQ-FCDQGJHFSA-N",9571500,NA,"PDBC55318","673788","Present",NA,NA
+"55319","[(4E)-4-Hexylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E)-4-Hexylidene-2-(hydroxymethyl)-5-oxooxolan-2-yl]methyl 4-methyl-3-propan-2-ylpentanoate",NA,"CCCCCC=C1CC(OC1=O)(CO)COC(=O)CC(C(C)C)C(C)C","SJBCBDAKOWZLGU-LICLKQGHSA-N",5470621,NA,"PDBC55319","703748","Present",NA,NA
+"55320","[(4E)-4-[2-(3,3,6a,10b-Tetramethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl)ethylidene]-5-oxooxolan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E)-4-[2-(3,3,6a,10b-Tetramethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl)ethylidene]-5-oxooxolan-3-yl] acetate",NA,"CC(=O)OC1COC(=O)C1=CCC2C(=C)CCC3C2(CCC4C3(COC(O4)(C)C)C)C","HQUZOQGUMKRRHU-CAOOACKPSA-N",25121273,NA,"PDBC55320","750035","Present",NA,NA
+"55321","[(4E)-4-[2-[3-(2-Bromophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-5-oxooxolan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E)-4-[2-[3-(2-Bromophenyl)-6a,10b-dimethyl-8-methylidene-1,4a,5,6,7,9,10,10a-octahydronaphtho[2,1-d][1,3]dioxin-7-yl]ethylidene]-5-oxooxolan-3-yl] acetate",NA,"CC(=O)OC1COC(=O)C1=CCC2C(=C)CCC3C2(CCC4C3(COC(O4)C5=CC=CC=C5Br)C)C","HUAGMQRJUCSXRC-KEBDBYFISA-N",54613248,NA,"PDBC55321","750034","Present",NA,NA
+"55322","[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 3-aminopropanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 3-aminopropanoate",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCN)OC.Cl","QZMKRZOFQGDLON-QKVFEVCNSA-N",5469149,NA,"PDBC55322","683663","Present",NA,NA
+"55323","[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 5-aminopentanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E,6Z,8R,9R,10E,12R,13R,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 5-aminopentanoate",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)OC(=O)CCCCN)OC.Cl","AUFTVDUKFZHMIT-YTDVBHLFSA-N",5469153,NA,"PDBC55323","683666","Present",NA,NA
+"55324","[(4E,6Z,8R,9R,10E,12R,13S,14R,16R)-19-[2-(Dimethylamino)ethylamino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Azabicyclo[16.3.1]docos-1(21),4,6,10,18-pentaen- 3,20,...",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O)OC","KUFRQPKVAWMTJO-BZPDEKOWSA-N",5469144,NA,"PDBC55324","683659","Present",NA,NA
+"55325","[(4E,6Z,8R,9R,10E,12R,13S,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(propylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 4-aminobutanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E,6Z,8R,9R,10E,12R,13S,14R,16R)-9-Carbamoyloxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(propylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-13-yl] 4-aminobutanoate;hydro",NA,"CCCNC1=C2CC(CC(C(C(C=C(C(C(C=CC=C(C(=O)NC(=CC1=O)C2=O)C)OC)OC(=O)N)C)C)OC(=O)CCCN)OC)C.Cl","SOLXOKCYJODBGW-PYHLRZMUSA-N",5469057,NA,"PDBC55325","682300","Present",NA,NA
+"55326","[(4E,8E,11E,13R,15S)-4,8,12,15-Tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-trien-15-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4E,8E,11E,13R,15S)-4,8,12,15-Tetramethyl-14-oxabicyclo[11.2.1]hexadeca-4,8,11-trien-15-yl]methanol",NA,"CC1=CCCC(=CCC=C(C2CC(CC1)C(O2)(C)CO)C)C","ONSPNYKFMXGMMF-YYPYBWFESA-N",24204796,NA,"PDBC55326","732953","Present",NA,NA
+"55327","[(4R)-4-[(Z)-4-[Tert-butyl(diphenyl)silyl]oxybut-1-enyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4R)-4-[(Z)-4-[Tert-butyl(diphenyl)silyl]oxybut-1-enyl]-2,2-dimethyl-1,3-oxazolidin-3-yl]-phenylmethanone",NA,"CC1(N(C(CO1)C=CCCO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)C(=O)C4=CC=CC=C4)C","FMZGGSJBSANESZ-VYEJKPKRSA-N",5471919,NA,"PDBC55327","715422","Present",NA,NA
+"55328","[(4R,4As,7R,7aR,12bS)-4a,7-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4R,4As,7R,7aR,12bS)-4a,7-dihydroxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate",NA,"CC(=O)OC1=C2C3=C(CC4C5(C3(CCN4C)C(O2)C(CC5)O)O)C=C1","SSUTUVICUUNYGZ-UPQOXJCWSA-N",6712732,NA,"PDBC55328","707490","Present",NA,NA
+"55329","[(4R,5R)-5-Diethoxyphosphoryl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4R,5R)-5-Diethoxyphosphoryl-2,2-dimethyl-1,3-dioxolan-4-yl]methanol",NA,"CCOP(=O)(C1C(OC(O1)(C)C)CO)OCC","VUEZDPSZVRFVEC-RKDXNWHRSA-N",397591,NA,"PDBC55329","705932","Present",NA,NA
+"55330","[(4S,5S,10S,13S,14S,17S,19S,23R,30S,33S,36S)-13,30,33-Triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-7,27-dienyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4S,5S,10S,13S,14S,17S,19S,23R,30S,33S,36S)-13,30,33-Triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-7,27-dienyl] a",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5C4C6(CC7C5(C(=O)C6)C8(CC9C(CC=C1C9(CCC(C1)OC(=O)C)OC(=O)C)CC8C7)C)OC)C)OC(=O)C","SKLNCHIFEOFKJB-JWVIGVNTSA-N",393598,NA,"PDBC55330","695787","Present",NA,NA
+"55331","[(4S,5S,13S)-5,9,13-Trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4S,5S,13S)-5,9,13-Trimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl]methanol",NA,"CC12CCC3C4(CCCC(C4CCC3(C1)C=C2)(C)CO)C","CIGQQQTZOIDQQR-MQUSSMTRSA-N",5459140,NA,"PDBC55331","626773","Present",NA,NA
+"55332","[(4S,5S,13S,14S,17S,19S,23R,33S,36S)-33-Acetyloxy-19-methoxy-17,36-dimethyl-10,30,37-trioxo-13-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-8,28-dienyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4S,5S,13S,14S,17S,19S,23R,33S,36S)-33-Acetyloxy-19-methoxy-17,36-dimethyl-10,30,37-trioxo-13-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriaconta-8,28-dienyl] acetate",NA,"CC(=O)OC12CCC(=O)C=C1CCC3C2CCC4(C3CC5C4C6(CC7C5(C(=O)C6)C8(CC9C(CCC1=CC(=O)CCC91OC(=O)C)CC8C7)C)OC)C","YZMBCWYQFJCNHJ-LVLZODBMSA-N",393597,NA,"PDBC55332","695786","Present",NA,NA
+"55333","[(4S,5S,6R,7S,7As,7bR)-2',7-diacetyloxy-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4S,5S,6R,7S,7As,7bR)-2',7-diacetyloxy-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate",NA,"CC1C(C(C2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCC5C2(O5)C)C)OC(=O)C)OC(=O)C","UOPBVDKGCWSQFM-KUSMPRFYSA-N",390646,NA,"PDBC55333","688249","Present",NA,NA
+"55334","[(4S,5S,6R,7S,7As,7bR)-7-acetyloxy-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4S,5S,6R,7S,7As,7bR)-7-acetyloxy-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate",NA,"CC1C(C(C2(C(C13CC(OC3O)C4=COC=C4)CCC5C2(O5)C)C)OC(=O)C)OC(=O)C","UIEULHLNJMJHQZ-UJVINQALSA-N",390649,NA,"PDBC55334","688252","Present",NA,NA
+"55335","[(4S,5S,6S,7Ar,7bR)-2'-acetyloxy-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4S,5S,6S,7Ar,7bR)-2'-acetyloxy-5'-(furan-3-yl)-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate",NA,"CC1C(CC2(C(C13CC(OC3OC(=O)C)C4=COC=C4)CCC5C2(O5)C)C)OC(=O)C","VUPLMTRSSLQGTH-ZKCCYDTESA-N",390647,NA,"PDBC55335","688250","Present",NA,NA
+"55336","[(4S,5S,6S,7Ar,7bR)-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4S,5S,6S,7Ar,7bR)-5'-(furan-3-yl)-2'-hydroxy-5,7a,7b-trimethylspiro[2,3,3a,5,6,7-hexahydro-1aH-naphtho[1,2-b]oxirene-4,3'-oxolane]-6-yl] acetate",NA,"CC1C(CC2(C(C13CC(OC3O)C4=COC=C4)CCC5C2(O5)C)C)OC(=O)C","UFRAGMCRABEBKP-CKLDKBANSA-N",390648,NA,"PDBC55336","688251","Present",NA,NA
+"55337","[(4S,5S,8S,10S,13R,14S,17S,19S,23R,28S,30S,33R,36S)-13,30,33-Triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriacontanyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4S,5S,8S,10S,13R,14S,17S,19S,23R,28S,30S,33R,36S)-13,30,33-Triacetyloxy-19-methoxy-17,36-dimethyl-37-oxo-10-decacyclo[17.17.2.01,21.02,18.04,17.05,14.08,13.023,36.025,34.028,33]octatriacontanyl] ace",NA,"CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CC5C4C6(CC7C5(C(=O)C6)C8(CC9C(CCC1C9(CCC(C1)OC(=O)C)OC(=O)C)CC8C7)C)OC)C)OC(=O)C","TXYXOCQBVYAHGN-WOJGNBHVSA-N",393596,NA,"PDBC55337","695785","Present",NA,NA
+"55338","[(4S,7R,9S,10S,12R,16R)-4,12-Diacetyloxy-15-[(2S,3R)-3-benzamido-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl]oxy-9,16-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4S,7R,9S,10S,12R,16R)-4,12-Diacetyloxy-15-[(2S,3R)-3-benzamido-2-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoyl]oxy-9,16-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]he",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)C(C1OC(=O)C(C(C5=CC=C(C=C5)C(F)(F)F)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C","BSYJQGQRXKDJGF-LQTZCNTQSA-N",54604796,NA,"PDBC55338","654374","Present",NA,NA
+"55339","[(4Z)-4-(Furan-2-ylmethylidene)-3-oxo-11-sulfanylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),5,8-trien-9-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-4-(Furan-2-ylmethylidene)-3-oxo-11-sulfanylidene-7-thia-2,5,10,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),5,8-trien-9-yl]thiourea",NA,"C1=COC(=C1)C=C2C(=O)N3C4=NC(=S)NC(=C4SC3=N2)NC(=S)N","PRAZRRGVDNCIKQ-XQRVVYSFSA-N",5906432,NA,"PDBC55339","684382","Present",NA,NA
+"55340","[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z)-4-[[4-[Bis(2-cyanoethyl)amino]phenyl]methylene]-5-oxo-2-phenyl-imidazol-1-yl]thiourea",NA,"C1=CC=C(C=C1)C2=NC(=CC3=CC=C(C=C3)N(CCC#N)CCC#N)C(=O)N2NC(=S)N","YDSRLMSBKPGEGR-SILNSSARSA-N",5469998,NA,"PDBC55340","695310","Present",NA,NA
+"55341","[(4Z,8E,12E)-10-Acetyloxy-4,8,15,15-tetramethyl-11-oxo-7-bicyclo[12.1.0]pentadeca-4,8,12-trienyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(4Z,8E,12E)-10-Acetyloxy-4,8,15,15-tetramethyl-11-oxo-7-bicyclo[12.1.0]pentadeca-4,8,12-trienyl] acetate",NA,"CC1=CCC(C(=CC(C(=O)C=CC2C(C2(C)C)CC1)OC(=O)C)C)OC(=O)C","VRGIDOAPYHTMND-KCNCIZRXSA-N",5459186,NA,"PDBC55341","640332","Present",NA,NA
+"55342","[(5,7-Dichloroquinolin-8-yl)oxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5,7-Dichloroquinolin-8-yl)oxy]acetic acid",NA,"C1=CC2=C(C(=C(C=C2Cl)Cl)OCC(=O)O)N=C1","NJYVIGAFFXUJHS-UHFFFAOYSA-N",271277,NA,"PDBC55342","114743","Present",NA,NA
+"55343","[(5-Nitro-1H-imidazole-4-carbonyl)amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5-Nitro-1H-imidazole-4-carbonyl)amino]urea",NA,"C1=NC(=C(N1)[N+](=O)[O-])C(=O)NNC(=O)N","YHUAXGVTPFKBRR-UHFFFAOYSA-N",135489837,NA,"PDBC55343","684039","Present",NA,NA
+"55344","[(5-Nitro-3-oxo-2-phenyl-pyridazin-4-yl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5-Nitro-3-oxo-2-phenyl-pyridazin-4-yl)amino]thiourea",NA,"C1=CC=C(C=C1)N2C(=O)C(=C(C=N2)[N+](=O)[O-])NNC(=S)N","AVBJPJPGRCYLFL-UHFFFAOYSA-N",3739776,NA,"PDBC55344","641823","Present",NA,NA
+"55345","[(5-Oxo-5H-benzocyclohepten-4-yl)oxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5-Oxo-5H-benzocyclohepten-4-yl)oxy]acetic acid",NA,"C1=CC2=C(C(=O)C=C1)C(=CC=C2)OCC(=O)O","MMYVODITJBQRBR-UHFFFAOYSA-N",387176,NA,"PDBC55345","680712","Present",NA,NA
+"55346","[(5E)-2,3,4-Triacetoxy-5-(4-amino-2-methoxy-1-methyl-6-oxo-pyrimidin-5-yl)imino-pentyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC658426///NSC658427",NA,"CC(=O)OCC(C(C(C=NC1=C(N=C(N(C1=O)C)OC)N)OC(=O)C)OC(=O)C)OC(=O)C","LZAQDYIOFALKBP-UHFFFAOYSA-N",377199,NA,"PDBC55346","658426///658427","Present",NA,NA
+"55347","[(5E)-2,3,4-Triacetoxy-5-[acetyl-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonyl-hydrazono]pentyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5E)-5-[Acetyl-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonylhydrazinylidene]-2,3,4-triacetyloxypentyl] acetate",NA,"CC(=O)N(N=CC(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N2","PTKZKUXFGJMTHX-QIJBAEMQSA-N",9579059,NA,"PDBC55347","683764","Present",NA,NA
+"55348","[(5E)-4-Acetyloxy-6,10-dimethyl-2-methylideneundeca-5,9-dienyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5E)-4-Acetyloxy-6,10-dimethyl-2-methylideneundeca-5,9-dienyl] acetate",NA,"CC(=CCCC(=CC(CC(=C)COC(=O)C)OC(=O)C)C)C","ZAXYWVMAJQQJNL-GXDHUFHOSA-N",5387047,NA,"PDBC55348","619979","Present",NA,NA
+"55349","[(5E)-4-Anilino-5-phenylimino-2-thioxo-imidazol-1-yl]-phenyl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5E)-4-Anilino-5-phenylimino-2-thioxo-imidazol-1-yl]-phenyl-methanone",NA,"C1=CC=C(C=C1)C(=O)N2C(=NC3=CC=CC=C3)C(=NC2=S)NC4=CC=CC=C4","GLYOZFTXIJVGAC-UHFFFAOYSA-N",3005097,NA,"PDBC55349","671398","Present",NA,NA
+"55350","[(5E,9E)-11-Chloro-2-(hydroxymethyl)-6,10-dimethylundeca-1,5,9-trien-4-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5E,9E)-11-Chloro-2-(hydroxymethyl)-6,10-dimethylundeca-1,5,9-trien-4-yl] acetate",NA,"CC(=CC(CC(=C)CO)OC(=O)C)CCC=C(C)CCl","HNVFPCPYQLPCHE-SWZPTJTJSA-N",5387049,NA,"PDBC55350","619981","Present",NA,NA
+"55351","[(5E,9E)-4-Acetyloxy-11-hydroxy-6,10-dimethyl-2-methylideneundeca-5,9-dienyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5E,9E)-4-Acetyloxy-11-hydroxy-6,10-dimethyl-2-methylideneundeca-5,9-dienyl] acetate",NA,"CC(=CC(CC(=C)COC(=O)C)OC(=O)C)CCC=C(C)CO","GHGLCAARWIFRLD-UAUIHIKDSA-N",5387048,NA,"PDBC55351","619980","Present",NA,NA
+"55352","[(5R)-2-Methoxy-1,2,5,7-tetramethyl-3,6-dioxabicyclo[3.2.1]octan-8-yl]oxy-tri(propan-2-yl)silane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{[(5r)-2-Methoxy-1,2,5,7-tetramethyl-3,6-dioxabicyclo[3.2.1]oct-8-yl]oxy}[tris(1-methylethyl)]silane",NA,"CC1C2(C(C(O1)(COC2(C)OC)C)O[Si](C(C)C)(C(C)C)C(C)C)C","IUOBFSFZOAAPND-YFHPXGLKSA-N",401773,NA,"PDBC55352","715503","Present",NA,NA
+"55353","[(5R)-5-[(2S)-5-Butanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-butoxy-3,4-dihydroxyoxan-2-yl]methyl hexadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5R)-5-[(2S)-5-Butanoyloxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-6-butoxy-3,4-dihydroxyoxan-2-yl]methyl hexadecanoate",NA,"CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)OCCCC)OC2C(C(C(C(O2)C)OC(=O)CCC)O)O)O)O","LIKCIOINGHXXRQ-AIIHMGOMSA-N",24202676,NA,"PDBC55353","725699","Present",NA,NA
+"55354","[(5R,6E,9E,14S,15R,15Ar)-5-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5R,6E,9E,14S,15R,15Ar)-5-hydroxy-6,10,14-trimethyl-3-methylidene-2-oxo-3a,4,5,8,11,12,13,14,15,15a-decahydrocyclotetradeca[b]furan-15-yl] acetate",NA,"CC1CCCC(=CCC=C(C(CC2C(C1OC(=O)C)OC(=O)C2=C)O)C)C","HDOQBECKQQQPJB-BQSHZVMRSA-N",24204961,NA,"PDBC55354","733753","Present",NA,NA
+"55355","[(5R,9E,14S,15R,15Ar)-5-hydroxy-10,14-dimethyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5R,9E,14S,15R,15Ar)-5-hydroxy-10,14-dimethyl-3,6-dimethylidene-2-oxo-4,5,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate",NA,"CC1CCCC(=CCCC(=C)C(CC2C(C1OC(=O)C)OC(=O)C2=C)O)C","IIHISVFXWMWKEB-DMLPQHMSSA-N",24204960,NA,"PDBC55355","733752","Present",NA,NA
+"55356","[(5S)-2-Ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5S)-2-Ethyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol",NA,"CCC1=NC(C(O1)C2=CC=CC=C2)CO","GZOYBTRDWOUZTG-KFJBMODSSA-N",359377,NA,"PDBC55356","620188","Present",NA,NA
+"55357","[(5S,5As,6R,7R)-5-[2-(furan-3-yl)ethyl]-4,5-dimethyl-2-oxospiro[4,5a,6,8,9,9a-hexahydro-3H-benzo[b]oxepine-7,2'-oxirane]-6-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5S,5As,6R,7R)-5-[2-(furan-3-yl)ethyl]-4,5-dimethyl-2-oxospiro[4,5a,6,8,9,9a-hexahydro-3H-benzo[b]oxepine-7,2'-oxirane]-6-yl]methyl acetate",NA,"CC1CC(=O)OC2CCC3(CO3)C(C2C1(C)CCC4=COC=C4)COC(=O)C","KRZVLMSVXFBWSP-XZXSBAOVSA-N",6712203,NA,"PDBC55357","659003","Present",NA,NA
+"55358","[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 3-aminobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 3-aminobenzoate",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC(=CC=C6)N","SDMJEXGVQHJCSY-DBGJTOQZSA-N",369909,NA,"PDBC55358","642276","Present",NA,NA
+"55359","[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 4-aminobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 4-aminobenzoate",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC(=O)C6=CC=C(C=C6)N","DJTWCPJMHSYCEW-DBGJTOQZSA-N",369928,NA,"PDBC55359","642295","Present",NA,NA
+"55360","[(5S,8R,9S,10S,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Androstan-3-one, 17-[[[(2-chloroethyl)nitrosoamino]carbo...",NA,"CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4OC(=O)N(CCCl)N=O)C","SALYBQYJYPDVQY-GRPBBMKTSA-N",320803,NA,"PDBC55360","269721","Present",NA,NA
+"55361","[(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-Hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1,3(19),20-triene-30,2'-oxane]-26-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5S,9R,10R,14R,23S,26R,27S,28R,32S,35R)-5,5',9,23,27,29-Hexamethyl-10-(6-methylheptan-2-yl)spiro[31-oxa-2,20-diazadecacyclo[19.18.0.03,19.05,17.06,14.09,13.023,38.024,35.027,34.028,32]nonatriaconta-1",NA,"CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CC7=NC8=C(CC9(C(C8)CCC2C9CCC3(C2CCC3C(C)CCCC(C)C)C)C)N=C7C6)C)OC(=O)C)C)C)OC1","ZDDWUUPJCDBABV-KJELKZOYSA-N",376535,NA,"PDBC55361","657501","Present",NA,NA
+"55362","[(5S,9S,10S,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-28-(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-trien-10-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5S,9S,10S,14R,23S,27R,28R,32R)-5,9,23,27-Tetramethyl-28-(6-methylheptan-2-yl)-2,20-diazanonacyclo[19.15.0.03,19.05,17.06,14.09,13.023,35.024,32.027,31]hexatriaconta-1(21),2,19-trien-10-yl] acetate",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CC5=C(C4)N=C6CC7(C(CCC8C7CCC9(C8CCC9OC(=O)C)C)CC6=N5)C)C)C","DFKRKZIUOHQDNV-VCQDQCFFSA-N",376533,NA,"PDBC55362","657499","Present",NA,NA
+"55363","[(5Z)-1,7,7-Trimethyl-5-(nitromethylene)-6-oxo-norbornan-2-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1R)-(-)-3-Nitromethine-6-endo-acetoxycamphor",NA,"CC(=O)OC1CC2C(=C[N+](=O)[O-])C(=O)C1(C2(C)C)C","ILQGVKFYAJGOKQ-VURMDHGXSA-N",3004516,NA,"PDBC55363","657829","Present",NA,NA
+"55364","[(5Z)-2,3,4-Triacetyloxy-5-[(4-oxo-3H-quinazolin-2-yl)hydrazinylidene]pentyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC691093///NSC691100",NA,"CC(=O)OCC(C(C(C=NNC1=NC2=CC=CC=C2C(=O)N1)OC(=O)C)OC(=O)C)OC(=O)C","FENOOCYBEBBYIR-AFPJDJCSSA-N",135505150,NA,"PDBC55364","691093///691100","Present",NA,NA
+"55365","[(5Z)-9,13-Bis(acetyloxymethyl)-4-methyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadeca-5,12-dien-11-yl] 2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(5Z)-9,13-Bis(acetyloxymethyl)-4-methyl-14-oxo-3,8,15-trioxatetracyclo[10.3.0.02,4.07,9]pentadeca-5,12-dien-11-yl] 2-methylpropanoate",NA,"CC(C)C(=O)OC1CC2(C(O2)C=CC3(C(O3)C4C1=C(C(=O)O4)COC(=O)C)C)COC(=O)C","OKZUMIKPSHJYTI-SREVYHEPSA-N",5468267,NA,"PDBC55365","666857","Present",NA,NA
+"55366","[(6-Methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6-Methylimidazo[2,1-b]thiazole-5-carbonyl)amino]thiourea",NA,"CC1=C(N2C=CSC2=N1)C(=O)NNC(=S)N","VEOUHRNDOUGUKE-UHFFFAOYSA-N",3001070,NA,"PDBC55366","649047","Present",NA,NA
+"55367","[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl] 1H-indole-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-2-carboxylic acid, 2,3,5,11a-tetrahydro-7-meth...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OC(=O)C4=CC5=CC=CC=C5N4","MQRZJGARDSCQHC-AWEZNQCLSA-N",396302,NA,"PDBC55367","702015","Present",NA,NA
+"55368","[(6As)-2-methoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-3-yl] methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-methoxy-5-(11aS)-2,3,5,11a-tetrahydro-1H-benzo[e]pyrro...",NA,"COC1=C(C=C2C(=C1)C(=O)N3CCCC3C=N2)OS(=O)(=O)C","NDQASSHSCOZLOG-VIFPVBQESA-N",406089,NA,"PDBC55368","724007","Present",NA,NA
+"55369","[(6As,7S,8R,10aS)-7-[2-(furan-3-yl)-2-hydroxyacetyl]-8-methyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6As,7S,8R,10aS)-7-[2-(furan-3-yl)-2-hydroxyacetyl]-8-methyl-3-oxo-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-7-yl]methyl acetate",NA,"CC1CCC23COC(=O)C2=CCCC3C1(COC(=O)C)C(=O)C(C4=COC=C4)O","QOLYTMCBEFPBBC-USQRFNHMSA-N",390651,NA,"PDBC55369","688254","Present",NA,NA
+"55370","[(6As,8S)-6,11-bis(sulfanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6As,8S)-6,11-bis(sulfanylidene)-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl] acetate",NA,"CC(=O)OC1CC2C(=S)NC3=CC=CC=C3C(=S)N2C1","DQWXERNLELJAQY-CABZTGNLSA-N",5470552,NA,"PDBC55370","703016","Present",NA,NA
+"55371","[(6R,13S)-2,6,12-Trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6R,13S)-2,6,12-Trimethyl-6-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methyl acetate",NA,"CC1=CC2CCC3C(CCCC3(C24CCC1C4)C)(C)COC(=O)C","CJXGXOWASAFJSQ-DLWUUNMUSA-N",5459208,NA,"PDBC55371","646018","Present",NA,NA
+"55372","[(6S,13S)-6-(Acetyloxymethyl)-2,6-dimethyl-12-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6S,13S)-6-(Acetyloxymethyl)-2,6-dimethyl-12-tetracyclo[11.2.1.01,10.02,7]hexadec-11-enyl]methyl acetate",NA,"CC(=O)OCC1=CC2CCC3C(CCCC3(C24CCC1C4)C)(C)COC(=O)C","WZVZCBSJYOTHKJ-AVOLGYPTSA-N",6711898,NA,"PDBC55372","646022","Present",NA,NA
+"55373","[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] 2-(9H-pyrido[3,4-b]indol-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] 2-(9H-pyrido[3,4-b]indol-1-yl)acetate",NA,"C1C#CC=CC(C#CCS1)OC(=O)CC2=NC=CC3=C2NC4=CC=CC=C34","BZCUPYKJHDGJMZ-UQCOIBPSSA-N",5468635,NA,"PDBC55373","673156","Present",NA,NA
+"55374","[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] 9,10-dioxoanthracene-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] 9,10-dioxoanthracene-2-carboxylate",NA,"C1C#CC=CC(C#CCS1)OC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4C3=O","HPDKUMPHBWGGBY-UQCOIBPSSA-N",5468578,NA,"PDBC55374","671898","Present",NA,NA
+"55375","[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6Z)-1-Thiacyclodec-6-en-3,8-diyn-5-yl] quinoxaline-2-carboxylate",NA,"C1C#CC=CC(C#CCS1)OC(=O)C2=NC3=CC=CC=C3N=C2","OIIBRQOUIVXAIM-UQCOIBPSSA-N",5468278,NA,"PDBC55375","667277","Present",NA,NA
+"55376","[(6Z)-6-[Acetyl-[4-[(Z)-(1-methyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonylhydrazinylidene]-2,3,4,5-tetraacetyloxyhexyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683760///NSC683762",NA,"CC(=O)N(N=CC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)C=C2C(=O)N(C(=O)N2)C","GDHOVVUMRDYLKF-VVOIDQBESA-N",6477990,NA,"PDBC55376","683760///683762","Present",NA,NA
+"55377","[(6Z)-6-[Acetyl-[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl]sulfonylhydrazinylidene]-2,3,4,5-tetraacetyloxyhexyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC683759///NSC683761",NA,"CC(=O)N(N=CC(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S(=O)(=O)C1=CC=C(C=C1)C=C2C(=O)NC(=O)N2","RHVIYIJWFRQNAN-QMCNIADLSA-N",6477989,NA,"PDBC55377","683759///683761","Present",NA,NA
+"55378","[(7-Chloro-3-methylquinolin-4-yl)sulfanyl]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(7-Chloro-3-methylquinolin-4-yl)sulfanyl]acetic acid",NA,"CC1=CN=C2C=C(C=CC2=C1SCC(=O)O)Cl","PSLQZFKHPIRPMU-UHFFFAOYSA-N",224790,NA,"PDBC55378","13579","Present",NA,NA
+"55379","[(7-Fluoro-9H-fluoren-2-yl)-(hydroxymethyl)amino]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(7-Fluoro-9H-fluoren-2-yl)-(hydroxymethyl)amino]methanol",NA,"C1C2=C(C=CC(=C2)N(CO)CO)C3=C1C=C(C=C3)F","LBQSZHPDBRKUCI-UHFFFAOYSA-N",284794,NA,"PDBC55379","141058","Present",NA,NA
+"55380","[(7R)-8-(Hydroxymethyl)-7,8-dimethyl-4-azatricyclo[4.2.1.03,7]nonan-4-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC627176///NSC627177",NA,"CC1(C2CC3C1(C(C2)N(C3)C(=O)C4=CC=CC=C4)C)CO","CTNCSHKEEQKIDX-AXBMVZGFSA-N",362820,NA,"PDBC55380","627176///627177","Present",NA,NA
+"55381","[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-[(E)-(Diphenylhydrazinylidene)methyl]-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2S,12Z,14E,16S,17S,18R,19R,20R,21S,22R,23S,24E)-21-(ace...",NA,"CC1C=CC=C(C(=O)NC2=C(C(=O)C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)C=NN(C5=CC=CC=C5)C6=CC=CC=C6)C","XOPBYSLAVSFILR-AGCWWBCRSA-N",155806637,NA,"PDBC55381","777444","Present",NA,NA
+"55382","[(8Ar)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8Ar)-5-(2-acetyloxypropan-2-yl)-3,8-dimethyl-2-oxo-4,5,6,7,8,8a-hexahydro-1H-azulen-6-yl] (Z)-2-methylbut-2-enoate",NA,"CC=C(C)C(=O)OC1CC(C2CC(=O)C(=C2CC1C(C)(C)OC(=O)C)C)C","IQWVFAXBJQKUDH-LLWSNPAWSA-N",5468690,NA,"PDBC55382","674623","Present",NA,NA
+"55383","[(8R)-13,14,15-Trimethoxy-5-methylsulfanyl-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R)-13,14,15-Trimethoxy-5-methylsulfanyl-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaenyl] benzoate",NA,"COC1=C(C(=C2C(=C1)CCC(C3=C2C=CC(=C3)SC)OC(=O)C4=CC=CC=C4)OC)OC","ZLWUTUQLJPJYQB-OAQYLSRUSA-N",396011,NA,"PDBC55383","701186","Present",NA,NA
+"55384","[(8R,10R)-4,4,8,10,13-Pentamethyl-3-oxo-17-[(2R,4S)-1,4,6-trihydroxy-6-methyl-5-oxoheptan-2-yl]-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R,10R)-4,4,8,10,13-Pentamethyl-3-oxo-17-[(2R,4S)-1,4,6-trihydroxy-6-methyl-5-oxoheptan-2-yl]-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate",NA,"CC(=O)OC1CC2C(C(=O)C=CC2(C3C1(C4=CCC(C4(CC3)C)C(CC(C(=O)C(C)(C)O)O)CO)C)C)(C)C","REBXJVOENPJSGD-KHTGCPTQSA-N",368987,NA,"PDBC55384","640468","Present",NA,NA
+"55385","[(8R,10R,13S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R,10R,13S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate",NA,"CC12CCC3C(C1CCC2OC(=O)C45C(O4)CCC5=O)CCC6=CC(=O)CCC36C","XMCIJGUGZUPBQT-DWBQXBNVSA-N",5459228,NA,"PDBC55385","654892","Present",NA,NA
+"55386","[(8R,13S,17S)-3-Benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R,13S,17S)-3-Benzoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2-oxo-6-oxabicyclo[3.1.0]hexane-1-carboxylate",NA,"CC12CCC3C(C1CCC2OC(=O)C45C(O4)CCC5=O)CCC6=C3C=CC(=C6)OC(=O)C7=CC=CC=C7","OXMWAECOOQPVRR-MBBASYQQSA-N",5459229,NA,"PDBC55386","654894","Present",NA,NA
+"55387","[(8R,9S)-9-Methyl-8-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.4]nonan-9-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(6s,7r)-6-Methyl-7-(2-methylprop-1-enyl)-1,4-dioxaspiro[4.4]nonan-6-yl]methanol",NA,"CC(=CC1CCC2(C1(C)CO)OCCO2)C","AHCTZNDGYAYCBE-VXGBXAGGSA-N",395707,NA,"PDBC55387","700505","Present",NA,NA
+"55388","[(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R,9S,10R,13S,14S,16R)-16-Imidazol-1-yl-10,13-dimethyl-3-pyrrolidin-1-yl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",NA,"CC(=O)OC1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)N5CCCC5)C)C)N6C=CN=C6","KZPNCXIHDYJAKC-YNZPPCSWSA-N",390533,NA,"PDBC55388","687981","Present",NA,NA
+"55389","[(8R,9S,10R,13S,14S,16R)-17-Acetyloxy-16-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R,9S,10R,13S,14S,16R)-17-Acetyloxy-16-imidazol-1-yl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC(C4OC(=O)C)N5C=CN=C5)C)C","RHUJAWUQNIMUDL-XVQQVLLFSA-N",390530,NA,"PDBC55389","687978","Present",NA,NA
+"55390","[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 9-oxo-10H-acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 9-oxo-10H-acridine-4-carboxylate",NA,"CC12CCC3C(C1CCC2OC(=O)C4=CC=CC5=C4NC6=CC=CC=C6C5=O)CCC7=CC(=O)CCC37C","ZTYOTYHBHNWVBI-RBCUEHQTSA-N",388471,NA,"PDBC55390","683411","Present",NA,NA
+"55391","[(8R,9S,10R,13S,14S,17S)-13-Methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] N-(2-chloroethyl)-N-nitrosocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Estr-4-en-3-one, 17-[[[(2-chloroethyl)nitrosoamino]carbo...",NA,"CC12CCC3C(C1CCC2OC(=O)N(CCCl)N=O)CCC4=CC(=O)CCC34","KTQUNVRSLAGBSY-RRFJAZBJSA-N",320801,NA,"PDBC55391","269719","Present",NA,NA
+"55392","[(8R,9S,10R,13S,14S,17S)-3-Oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R,9S,10R,13S,14S,17S)-3-Oxo-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acridine-4-carboxylate",NA,"C1CC2C(CCC2OC(=O)C3=CC=CC4=CC5=CC=CC=C5N=C43)C6C1C7CCC(=O)C=C7CC6","SDCRBKQAMLVCSX-PSXDVZDISA-N",397508,NA,"PDBC55392","705634","Present",NA,NA
+"55393","[(8R,9S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R,9S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] acridine-4-carboxylate",NA,"CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65","REFAUOBPLNQGFD-FMEWARDTSA-N",396849,NA,"PDBC55393","703876","Present",NA,NA
+"55394","[(8R,9S,13S,14S,17S)-17-Acridin-9-yloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R,9S,13S,14S,17S)-17-Acridin-9-yloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate",NA,"CC12CCC3C(C1CCC2OC4=C5C=CC=CC5=NC6=CC=CC=C64)CCC7=C3C=CC(=C7)OC(=O)C8=CC=CC=C8","AZHBEUUCGUQLBZ-IERQGPEBSA-N",397512,NA,"PDBC55394","705638","Present",NA,NA
+"55395","[(8R,9S,9Bs)-9-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-8-yl] 2-[(4aS,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8R,9S,9Bs)-9-hydroxy-6,9-dimethyl-3-methylidene-2,7-dioxo-3a,4,5,8,9a,9b-hexahydroazuleno[4,5-b]furan-8-yl] 2-[(4aS,8aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]prop-2-enoa",NA,"CC1=C2C(C3C(CC1)C(=C)C(=O)O3)C(C(C2=O)OC(=O)C(=C)C4CCC5(CCCC(=C)C5C4)C)(C)O","FLMOJAVDPIWHCR-RINQNAHBSA-N",399997,NA,"PDBC55395","711177","Present",NA,NA
+"55396","[(8S,11S,13S,17S)-3,17-Dihydroxy-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-11-yl] nitrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7.alpha.-Methyl-3,11.beta.,17.beta.-trihydroxy estra-1,3...",NA,"CC1CC2=C(C=CC(=C2)O)C3C1C4CCC(C4(CC3O[N+](=O)[O-])C)O","JHSXXDAPXQEHEW-ZLYJGEMTSA-N",380841,NA,"PDBC55396","666571","Present",NA,NA
+"55397","[(8S,9S,10S,13S,14S)-13-Methyl-3,17-dioxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-10-yl] 2,2,2-trifluoroacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8S,9S,10S,13S,14S)-13-Methyl-3,17-dioxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-10-yl] 2,2,2-trifluoroacetate",NA,"CC12CCC3C(C1CCC2=O)CCC4=CC(=O)C=CC34OC(=O)C(F)(F)F","DLUSTOPOVJCJLR-UNTXSKPGSA-N",394645,NA,"PDBC55397","698247","Present",NA,NA
+"55398","[(8S,9S,10S,13S,14S,17S)-10-Hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8S,9S,10S,13S,14S,17S)-10-Hydroxy-13-methyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate",NA,"CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)C=CC34O)C","TVMVKFSJVWIRBX-JPRZGNOKSA-N",402599,NA,"PDBC55398","716729","Present",NA,NA
+"55399","[(8S,9S,13S,14S)-17-Butoxycarbonyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(8S,9S,13S,14S)-17-Butoxycarbonyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] 9-oxo-10H-acridine-4-carboxylate",NA,"CCCCOC(=O)C1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)OC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C","VJKNRKUVKMLFHQ-WOWRIZBPSA-N",388730,NA,"PDBC55399","683783","Present",NA,NA
+"55400","[(8S,9S,13S,14S,17S)-1-Acetyloxy-3-chloro-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,17.beta.-Diacetoxy-3-chloro-4-methylestra-1,3,5(10)-tr...",NA,"CC1=C(C=C(C2=C1CCC3C2CCC4(C3CCC4OC(=O)C)C)OC(=O)C)Cl","NBAFPRNMIISQEL-VKINLPIUSA-N",386116,NA,"PDBC55400","677748","Present",NA,NA
+"55401","[(8S,9S,13S,14S,17S)-1-Acetyloxy-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,17.beta.-Diacetoxy-4-methylestra-1,3,5(10)-triene",NA,"CC1=C2CCC3C(C2=C(C=C1)OC(=O)C)CCC4(C3CCC4OC(=O)C)C","GPXCTBVDTQKXOZ-CPXOHJFISA-N",386117,NA,"PDBC55401","677749","Present",NA,NA
+"55402","[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino] 3,5-dinitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(9,10-Dibromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)amino] 3,5-dinitrobenzoate",NA,"C1=CC=C2C(=C1)C(C(C3=CC=CC=C3C2=NOC(=O)C4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])Br)Br","JVHXRUYNEQGIHF-UHFFFAOYSA-N",382532,NA,"PDBC55402","670141","Present",NA,NA
+"55403","[(9As,10aS)-9a-(acetyloxymethyl)-3-methylidene-2-oxo-4,4a,10,10a-tetrahydro-3aH-furo[3,2-h][3]benzoxepin-5-yl]methyl 2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(9As,10aS)-9a-(acetyloxymethyl)-3-methylidene-2-oxo-4,4a,10,10a-tetrahydro-3aH-furo[3,2-h][3]benzoxepin-5-yl]methyl 2-methylpropanoate",NA,"CC(C)C(=O)OCC1=COC=CC2(C1CC3C(C2)OC(=O)C3=C)COC(=O)C","XZXVQHIRWDNIBV-JWYNLTDQSA-N",5459271,NA,"PDBC55403","676834","Present",NA,NA
+"55404","[(9E,14S,15R,15Ar)-6,10,14-trimethyl-3-methylidene-2,5-dioxo-4,6,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(9E,14S,15R,15Ar)-6,10,14-trimethyl-3-methylidene-2,5-dioxo-4,6,7,8,11,12,13,14,15,15a-decahydro-3aH-cyclotetradeca[b]furan-15-yl] acetate",NA,"CC1CCCC(=CCCC(C(=O)CC2C(C1OC(=O)C)OC(=O)C2=C)C)C","YGAGIWNBCJRTRR-LRSNNEJCSA-N",24204962,NA,"PDBC55404","733754","Present",NA,NA
+"55405","[(9E,19E)-26-[(E)-(4-Aminopiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(9E,19E)-26-[(E)-(4-Aminopiperazin-1-yl)iminomethyl]-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,",NA,"CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)N)C","YFTKZLKDLFNELM-BLRLZIFKSA-N",135534698,NA,"PDBC55405","144120","Present",NA,NA
+"55406","[(9E,19E,21Z)-17-Formyloxy-2,15-dihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-, 21-formate",NA,"CC1C=CC=C(C(=O)NC2=CC(=O)C3=C(C2=O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1OC=O)C)O)C)OC(=O)C)C)OC)C)C)O)C","HWEBHJHXHLVOBR-NISGPDFNSA-N",5351272,NA,"PDBC55406","239375","Present",NA,NA
+"55407","[(9E,21Z)-28-(1,3-Dithiolan-2-yl)-2,29,31-trihydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25-dioxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.14,7.115,19.05,30]tritriaconta-1(30),2,4,9,21,23,27(31),28-octaen-13-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(9E,21Z)-28-(1,3-Dithiolan-2-yl)-2,29,31-trihydroxy-11-methoxy-3,7,12,14,17,17,20,24,32-nonamethyl-6,25-dioxo-8,16,18,33-tetraoxa-26-azapentacyclo[25.3.1.14,7.115,19.05,30]tritriaconta-1(30),2,4,9,21",NA,"CC1C=CC=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)OC(C4=O)(OC=CC(C(C(C(C5C(C1OC(O5)(C)C)C)C)OC(=O)C)C)OC)C)C(=C2C6SCCS6)O)O)C","JELTWYVKSXGXBP-ULFHDISVSA-N",54610764,NA,"PDBC55407","244404","Present",NA,NA
+"55408","[(9R)-7,7,8,12,13,22-Hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(9R)-7,7,8,12,13,22-Hexahydroxy-21-(hydroxymethyl)-3,6,16-trioxo-2,17,20,23-tetraoxapentacyclo[16.3.1.18,11.04,9.010,15]tricosa-4,10,12,14-tetraen-19-yl] 3,4,5-trihydroxybenzoate",NA,"C1=C(C=C(C(=C1O)O)O)C(=O)OC2C3C(C(C(O2)CO)OC(=O)C4=CC(=O)C(C5(C4C6=C(O5)C(=C(C=C6C(=O)O3)O)O)O)(O)O)O","CXTMLIMZRPKULL-XVPGHDECSA-N",385556,NA,"PDBC55408","676828","Present",NA,NA
+"55409","[(Aminomethyl)(2-aminoethyl)dimethylsilane] platinum(IV)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Aminomethyl)(2-aminoethyl)dimethylsilane] platinum(IV)...",NA,NA,NA,NA,NA,"PDBC55409","640322","Present",NA,NA
+"55410","[(Biphenyl-4-carbonyl)-amino]-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NE33673",NA,"C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)O","MYJXSDFBYVYUCD-UHFFFAOYSA-N",262943,NA,"PDBC55410","96993","Present",NA,NA
+"55411","[(Dianilinomethyleneamino)-phosphono-methyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Dianilinomethyleneamino)-phosphono-methyl]phosphonic acid",NA,"C1=CC=C(C=C1)NC(=NC(P(=O)(O)O)P(=O)(O)O)NC2=CC=CC=C2","PDHFAHULULJQEG-UHFFFAOYSA-N",394250,NA,"PDBC55411","697577","Present",NA,NA
+"55412","[(E)-(1,2,3,4-Tetrafluorofluoren-9-ylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-(1,2,3,4-Tetrafluorofluoren-9-ylidene)amino]thiourea",NA,"C1=CC=C2C(=C1)C3=C(C2=NNC(=S)N)C(=C(C(=C3F)F)F)F","GVQGBSJWHBZGID-DEDYPNTBSA-N",5380664,NA,"PDBC55412","102378","Present",NA,NA
+"55413","[(E)-(2,7-Dichloro-4-nitrofluoren-9-ylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-(2,7-Dichloro-4-nitrofluoren-9-ylidene)amino]thiourea",NA,"C1=CC2=C(C=C1Cl)C(=NNC(=S)N)C3=C2C(=CC(=C3)Cl)[N+](=O)[O-]","NPHZXJBRYUAQDC-QGOAFFKASA-N",5380581,NA,"PDBC55413","100804","Present",NA,NA
+"55414","[(E)-(3,4-Dihydroxyphenyl)methylideneamino]-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-(3,4-Dihydroxyphenyl)methylideneamino]-trimethylazanium;iodide",NA,"C[N+](C)(C)N=CC1=CC(=C(C=C1)O)O.[I-]","RCBFYNUXDDIGSO-UHFFFAOYSA-N",135476761,NA,"PDBC55414","659126","Present",NA,NA
+"55415","[(E)-(3-Ethoxypyridin-2-yl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-(3-Ethoxypyridin-2-yl)methylideneamino]thiourea",NA,"CCOC1=C(N=CC=C1)C=NNC(=S)N","HVSPGPWUVBAKPF-WUXMJOGZSA-N",9562139,NA,"PDBC55415","104960","Present",NA,NA
+"55416","[(E)-(4,6-Dimethoxy-1,3,5-triazin-2-yl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-(4,6-Dimethoxy-1,3,5-triazin-2-yl)methylideneamino]thiourea",NA,"COC1=NC(=NC(=N1)C=NNC(=S)N)OC","XORRNCYMCYJLEX-YCRREMRBSA-N",9561045,NA,"PDBC55416","9433","Present",NA,NA
+"55417","[(E)-(4-Hexoxyphenyl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-(4-Hexoxyphenyl)methylideneamino]thiourea",NA,"CCCCCCOC1=CC=C(C=C1)C=NNC(=S)N","DCMWDGWVNSYRGF-LFIBNONCSA-N",9555790,NA,"PDBC55417","19728","Present",NA,NA
+"55418","[(E)-(4-Methoxyphenyl)methylideneamino]carbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-(4-Methoxyphenyl)methylideneamino]carbamic acid",NA,"COC1=CC=C(C=C1)C=NNC(=O)O","PBUFFVDXVPSIOA-UXBLZVDNSA-N",5351796,NA,"PDBC55418","47652","Present",NA,NA
+"55419","[(E)-1-(1,3-Benzodioxol-5-yl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-(1,3-Benzodioxol-5-yl)ethylideneamino]thiourea",NA,"CC(=NNC(=S)N)C1=CC2=C(C=C1)OCO2","HXBOIMVUUOTWTH-WUXMJOGZSA-N",9569944,NA,"PDBC55419","627225","Present",NA,NA
+"55420","[(E)-1-(2,4,5-Trimethylphenyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-(2,4,5-Trimethylphenyl)ethylideneamino]thiourea",NA,"CC1=CC(=C(C=C1C)C(=NNC(=S)N)C)C","KXKXPXRBZRLZFL-GXDHUFHOSA-N",9569888,NA,"PDBC55420","622702","Present",NA,NA
+"55421","[(E)-1-(2,4-Dimethoxyphenyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-(2,4-Dimethoxyphenyl)ethylideneamino]thiourea",NA,"CC(=NNC(=S)N)C1=C(C=C(C=C1)OC)OC","SDIDOEAFBZUEAS-NTUHNPAUSA-N",5397654,NA,"PDBC55421","627224","Present",NA,NA
+"55422","[(E)-1-(3,4-Dimethylphenyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-(3,4-Dimethylphenyl)ethylideneamino]thiourea",NA,"CC1=C(C=C(C=C1)C(=NNC(=S)N)C)C","MMRXEGMXAFJIBQ-UKTHLTGXSA-N",9569886,NA,"PDBC55422","622698","Present",NA,NA
+"55423","[(E)-1-(4-Ethylphenyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC625216",NA,"CCC1=CC=C(C=C1)C(=NNC(=S)N)C","HXMZCORQSLXYAF-MDWZMJQESA-N",5464928,NA,"PDBC55423","625216","Present",NA,NA
+"55424","[(E)-1-(4-Phenoxyphenyl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"STL297573",NA,"CC(=NNC(=S)N)C1=CC=C(C=C1)OC2=CC=CC=C2","WHIVBHRWDXJLBI-GZTJUZNOSA-N",9569914,NA,"PDBC55424","625223","Present",NA,NA
+"55425","[(E)-1-(7-Methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-(7-Methoxy-3-methyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)ethylideneamino]thiourea",NA,"CC1=C([N+](=C2C=C(C=CC2=[N+]1[O-])OC)[O-])C(=NNC(=S)N)C","QRXWALSILNDHMU-VIZOYTHASA-N",135476760,NA,"PDBC55425","634663","Present",NA,NA
+"55426","[(E)-1-(Benzenesulfonyl)pent-3-enyl]sulfonylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-(Benzenesulfonyl)pent-3-enyl]sulfonylbenzene",NA,"CC=CCC(S(=O)(=O)C1=CC=CC=C1)S(=O)(=O)C2=CC=CC=C2","QBALMNLFHSAOQA-NSCUHMNNSA-N",5467261,NA,"PDBC55426","649444","Present",NA,NA
+"55427","[(E)-1-Hydroxy-1-methyl-3-phenyl-allyl]-phenyl-phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-Hydroxy-1-methyl-3-phenyl-allyl]-phenyl-phosphinic acid",NA,"CC(C=CC1=CC=CC=C1)(O)P(=O)(C2=CC=CC=C2)O","VVGDBQDQVJSODU-OUKQBFOZSA-N",5468243,NA,"PDBC55427","666675","Present",NA,NA
+"55428","[(E)-1-Hydroxy-3-phenyl-2-propenyl]phosphonic acid dibenzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-1-Bis(phenylmethoxy)phosphoryl-3-phenylprop-2-en-1-ol",NA,"C1=CC=C(C=C1)COP(=O)(C(C=CC2=CC=CC=C2)O)OCC3=CC=CC=C3","MGLUCCMWNDVKBN-WUKNDPDISA-N",5470783,NA,"PDBC55428","705126","Present",NA,NA
+"55429","[(E)-1-[(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC705156///NSC705157",NA,"CC(=O)OC(C=CC1=CC=CC=C1)P2(=O)N(C3CCCCC3N2CC(C)(C)C)CC(C)(C)C","KQTULTQMABLGLP-YOUGSHTCSA-N",54611469,NA,"PDBC55429","705156///705157","Present",NA,NA
+"55430","[(E)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-1,3,2-Benzodiazaphosphole, octahydro-2-[3-phenyl-1-[(...",NA,"C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6","MCZXWZWFFDMLMP-XMXXTNEDSA-N",5470794,NA,"PDBC55430","705140","Present",NA,NA
+"55431","[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]ethylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]ethylideneamino]thiourea",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=S)N)C","ZVFXINFRSPHLAD-MFKUBSTISA-N",9571358,NA,"PDBC55431","648583","Present",NA,NA
+"55432","[(E)-1-[2-[5-[(E)-N-(Carbamoylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-[2-[5-[(E)-N-(Carbamoylamino)-C-methylcarbonimidoyl]-4-methyl-1,3-thiazol-2-yl]-4-methyl-1,3-thiazol-5-yl]ethylideneamino]urea",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=NNC(=O)N)C)C)C(=NNC(=O)N)C","FLFKFFCPMYWUAY-OKXCLTPOSA-N",9571322,NA,"PDBC55432","642609","Present",NA,NA
+"55433","[(E)-1-[4-Methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-[4-Methoxy-3-(morpholin-4-ylmethyl)phenyl]ethylideneamino] 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate",NA,"CC1=C(C(=NO1)C2=CC=CC=C2Cl)C(=O)ON=C(C)C3=CC(=C(C=C3)OC)CN4CCOCC4","RWFOAHFPQQDTQL-JVWAILMASA-N",9555370,NA,"PDBC55433","310340","Present",NA,NA
+"55434","[(E)-1-[[(1R,2R)-2-[Acetyl(2,2-dimethylpropyl)amino]cyclohexyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-1-[[(1R,2R)-2-[Acetyl(2,2-dimethylpropyl)amino]cyclohexyl]-methoxyphosphoryl]-3-phenylprop-2-enyl] acetate",NA,"CC(=O)N(CC(C)(C)C)C1CCCCC1P(=O)(C(C=CC2=CC=CC=C2)OC(=O)C)OC","OCMKMVZNWHRZGA-CKRXRQQESA-N",5470797,NA,"PDBC55434","705150","Present",NA,NA
+"55435","[(E)-2,2,3-Trimethyl-3-(tosylaminocarbonyl)cyclopentylidene]acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-2,2,3-Trimethyl-3-(tosylaminocarbonyl)cyclopentylidene]acetic acid methyl ester",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2(CCC(=CC(=O)OC)C2(C)C)C","YJTIOVKGVCFPDN-WYMLVPIESA-N",5470525,NA,"PDBC55435","702440","Present",NA,NA
+"55436","[(E)-2-Methyl-4-[(9-tetrahydropyran-2-ylpurin-6-yl)amino]but-2-enyl] dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-2-Methyl-4-[(9-tetrahydropyran-2-ylpurin-6-yl)amino]but-2-enyl] dihydrogen phosphate",NA,"CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3CCCCO3)COP(=O)(O)O","RZTXGCBNTFIUEA-VZUCSPMQSA-N",5387779,NA,"PDBC55436","627180","Present",NA,NA
+"55437","[(E)-2-Phenylethenyl] 4-[(E)-3-(4-acetamidophenoxy)-3-oxoprop-1-enyl]-2-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-2-Phenylethenyl] 4-[(E)-3-(4-acetamidophenoxy)-3-oxoprop-1-enyl]-2-methoxybenzoate",NA,"CC(=O)NC1=CC=C(C=C1)OC(=O)C=CC2=CC(=C(C=C2)C(=O)OC=CC3=CC=CC=C3)OC","VRQNSNNYTWBZCO-CPSIHHQISA-N",5911663,NA,"PDBC55437","626884","Present",NA,NA
+"55438","[(E)-3-(1,3-Benzodioxol-5-yl)prop-2-enyl] 3-(3,4,5-trimethoxyphenyl)prop-2-ynoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-3-(1,3-Benzodioxol-5-yl)prop-2-enyl] 3-(3,4,5-trimethoxyphenyl)prop-2-ynoate",NA,"COC1=CC(=CC(=C1OC)OC)C#CC(=O)OCC=CC2=CC3=C(C=C2)OCO3","VQKDDERZYZYUPT-SNAWJCMRSA-N",5357424,NA,"PDBC55438","76991","Present",NA,NA
+"55439","[(E)-3-(2,3,4,5-Tetrachlorocyclopenta-2,4-dien-1-ylidene)prop-1-enyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-3-(2,3,4,5-Tetrachlorocyclopenta-2,4-dien-1-ylidene)prop-1-enyl]benzene",NA,"C1=CC=C(C=C1)C=CC=C2C(=C(C(=C2Cl)Cl)Cl)Cl","RKERNVBCOIOPFR-QPJJXVBHSA-N",5860626,NA,"PDBC55439","26113","Present",NA,NA
+"55440","[(E)-3-(Benzenesulfonyl)allyl]sulfonylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-3-(Phenylsulfonyl)allyl]phenyl sulfone",NA,"C1=CC=C(C=C1)S(=O)(=O)CC=CS(=O)(=O)C2=CC=CC=C2","RSTGVZDDFHPCLL-KPKJPENVSA-N",5387479,NA,"PDBC55440","623968","Present",NA,NA
+"55441","[(E)-3-Chloroallyl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-3-Chloroallyl]thiourea",NA,"C(C=CCl)NC(=S)N","NUMFQAGXOMNDNB-OWOJBTEDSA-N",6375073,NA,"PDBC55441","664970","Present",NA,NA
+"55442","[(E)-3-Phenylprop-2-enyl] 2-nitrooxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-3-Phenylprop-2-enyl] 2-nitrooxyacetate",NA,"C1=CC=C(C=C1)C=CCOC(=O)CO[N+](=O)[O-]","BFYGFTNWJPWZAV-QPJJXVBHSA-N",5387588,NA,"PDBC55442","624959","Present",NA,NA
+"55443","[(E)-3-Trimethylsilylpent-3-enyl] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-3-Trimethylsilylpent-3-enyl] 4-methylbenzenesulfonate",NA,"CC=C(CCOS(=O)(=O)C1=CC=C(C=C1)C)[Si](C)(C)C","DOUKSUOGVNCVSI-GIDUJCDVSA-N",357836,NA,"PDBC55443","617369","Present",NA,NA
+"55444","[(E)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate",NA,"CC(=O)OCC=CCN1C(=O)NC(=O)C=N1","LOMCVIBNJVYAJR-NSCUHMNNSA-N",5468888,NA,"PDBC55444","678978","Present",NA,NA
+"55445","[(E)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl]phosphonic acid",NA,"C1=NN(C(=O)NC1=O)CC=CCP(=O)(O)O","ACXAVPIQKKPRPO-OWOJBTEDSA-N",5468892,NA,"PDBC55445","678982","Present",NA,NA
+"55446","[(E)-4-(6-Bromo-3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-4-(6-Bromo-3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate",NA,"CC(=O)OCC=CCN1C(=O)NC(=O)C(=N1)Br","WIDZXOUBYCHPRK-NSCUHMNNSA-N",5468895,NA,"PDBC55446","678985","Present",NA,NA
+"55447","[(E)-5-Methyloxolane-2-ylidene]acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-5-Methyloxolane-2-ylidene]acetic acid methyl ester",NA,"CC1CCC(=CC(=O)OC)O1","OSKPHNFOIQIJSF-FNORWQNLSA-N",5387115,NA,"PDBC55447","620509","Present",NA,NA
+"55448","[(E)-5-[4-[(E)-5-[Diethyl(methyl)azaniumyl]-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-2,2-dimethyl-3-oxopent-4-enyl]-diethyl-methylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-5-[4-[(E)-5-[Diethyl(methyl)azaniumyl]-4,4-dimethyl-3-oxopent-1-enyl]phenyl]-2,2-dimethyl-3-oxopent-4-enyl]-diethyl-methylazanium;bromide",NA,"CC[N+](C)(CC)CC(C)(C)C(=O)C=CC1=CC=C(C=C1)C=CC(=O)C(C)(C)C[N+](C)(CC)CC.[Br-]","BIIUTYUUJLLCNN-ULQNKYRSSA-M",5386922,NA,"PDBC55448","618761","Present",NA,NA
+"55449","[(E)-5-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylpent-1-enyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-5-[6-Amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]sulfanylpent-1-enyl]boronic acid",NA,"B(C=CCCCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N)(O)O","LVPQGYACCGVSCR-DUXPYHPUSA-N",5467463,NA,"PDBC55449","652620","Present",NA,NA
+"55450","[(E)-5-[6-Amino-9-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-2-yl]sulfanylpent-1-enyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-5-[6-Amino-9-[3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]purin-2-yl]sulfanylpent-1-enyl]boronic acid",NA,"B(C=CCCCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N)(O)O","JADSJMTVKLPVJU-DUXPYHPUSA-N",5467460,NA,"PDBC55450","652614","Present",NA,NA
+"55451","[(E)-6,7,8,9-Tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-6,7,8,9-Tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea",NA,"C1CCC(=NNC(=S)N)C2=CC=CC=C2C1","HOKJJMKQHAEGNX-SDNWHVSQSA-N",9571439,NA,"PDBC55451","661439","Present",NA,NA
+"55452","[(E)-6,7,8,9-Tetrahydrobenzo[7]annulen-5-ylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-6,7,8,9-Tetrahydrobenzo[7]annulen-5-ylideneamino]urea",NA,"C1CCC(=NNC(=O)N)C2=CC=CC=C2C1","ZGVPGUWXAWGLFP-SDNWHVSQSA-N",9571438,NA,"PDBC55452","661437","Present",NA,NA
+"55453","[(E)-8-Tetracyclo[4.3.0.02,4.03,7]nonanylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-8-Tetracyclo[4.3.0.02,4.03,7]nonanylideneamino]urea",NA,"C1C2C3CC(=NNC(=O)N)C2C4C1C34","GBWINHSBPKVUGH-WUXMJOGZSA-N",5351429,NA,"PDBC55453","673912","Present",NA,NA
+"55454","[(E)-Anthracen-9-ylmethylideneamino] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-Anthracen-9-ylmethylideneamino] acetate",NA,"CC(=O)ON=CC1=C2C=CC=CC2=CC3=CC=CC=C31","UJZASGHNICECFK-WOJGMQOQSA-N",9569465,NA,"PDBC55454","400549","Present",NA,NA
+"55455","[(E)-But-2-enoxy]methylbenzene;carbon monoxide;chromium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-But-2-enoxy]methylbenzene;carbon monoxide;chromium",NA,NA,NA,NA,NA,"PDBC55455","648861","Present",NA,NA
+"55456","[(E)-But-2-enyl] 2-nitrooxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-But-2-enyl] 2-nitrooxyacetate",NA,"CC=CCOC(=O)CO[N+](=O)[O-]","IBIDBNNQYWLDDG-NSCUHMNNSA-N",5387589,NA,"PDBC55456","624960","Present",NA,NA
+"55457","[(E)-C-Benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanium;carbanylium;tin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-C-Benzylsulfanyl-N-[(Z)-furan-2-ylmethylideneamino]carbonimidoyl]sulfanium;carbanylium;tin",NA,NA,NA,NA,NA,"PDBC55457","630458","Present",NA,NA
+"55458","[(E)-N-[(E)-[(2E)-2-[(Z)-[(1-Carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-N-[(E)-[(2E)-2-[(Z)-[(1-Carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,"PDBC55458","630989","Present",NA,NA
+"55459","[(E)-N-[(E)-[(2E)-2-[(Z)-[(2-Carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-N-[(E)-[(2E)-2-[(Z)-[(2-Carboxyethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,"PDBC55459","630994","Present",NA,NA
+"55460","[(E)-N-[(E)-[(2E)-2-[(Z)-[(Carboxymethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-N-[(E)-[(2E)-2-[(Z)-[(Carboxymethylamino)-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,"PDBC55460","630986","Present",NA,NA
+"55461","[(E)-N-[(E)-[(2E)-2-[(Z)-[[(1-Carboxy-2-phenylethyl)amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-N-[(E)-[(2E)-2-[(Z)-[[(1-Carboxy-2-phenylethyl)amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,"PDBC55461","630990","Present",NA,NA
+"55462","[(E)-N-[(E)-[(2E)-2-[(Z)-[[(1-Carboxy-3-methylsulfanylpropyl)amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-N-[(E)-[(2E)-2-[(Z)-[[(1-Carboxy-3-methylsulfanylpropyl)amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,"PDBC55462","630993","Present",NA,NA
+"55463","[(E)-N-[(E)-[(2E)-2-[(Z)-[[2-(1H-Imidazol-5-yl)ethylamino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-N-[(E)-[(2E)-2-[(Z)-[[2-(1H-Imidazol-5-yl)ethylamino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,"PDBC55463","630988","Present",NA,NA
+"55464","[(E)-N-[(E)-[(2E)-2-[(Z)-[[[1-Carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-N-[(E)-[(2E)-2-[(Z)-[[[1-Carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,"PDBC55464","630987","Present",NA,NA
+"55465","[(E)-N-[(E)-[(2E)-2-[(Z)-[[[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-N-[(E)-[(2E)-2-[(Z)-[[[1-Carboxy-2-(4-hydroxyphenyl)ethyl]amino]-sulfaniumylmethylidene]hydrazinylidene]-2-phenylethylidene]amino]-C-methylsulfanylcarbonimidoyl]sulfanium;nickel",NA,NA,NA,NA,NA,"PDBC55465","630992","Present",NA,NA
+"55466","[(E)-N-[2-(Carboxymethylsulfanyl)-4-chloro-5-methylphenyl]sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-N-[2-(Carboxymethylsulfanyl)-4-chloro-5-methylphenyl]sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide",NA,"CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)N=C([N-]S(=O)(=O)C2=CC=C(C=C2)Cl)[N+]3=CC=C(C=C3)N(C)C","SVPTYJLKPKFWIP-UHFFFAOYSA-N",9572493,NA,"PDBC55466","717957","Present",NA,NA
+"55467","[(E)-Pyridin-3-ylmethylideneamino] N-(2-chloroethyl)carbamate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-Pyridin-3-ylmethylideneamino] N-(2-chloroethyl)carbamate;hydrochloride",NA,"C1=CC(=CN=C1)C=NOC(=O)NCCCl.Cl","CPXUKUAJSMWLGA-FTPOTTDRSA-N",9569838,NA,"PDBC55467","621942","Present",NA,NA
+"55468","[(E)-[(1E)-1-(Carbamothioylhydrazinylidene)-3-(2-methoxyethoxy)butan-2-ylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(1E)-1-(Carbamothioylhydrazinylidene)-3-(2-methoxyethoxy)butan-2-ylidene]amino]thiourea",NA,"CC(C(=NNC(=S)N)C=NNC(=S)N)OCCOC","LSTBLFGRQOSBQF-HBGINIEDSA-N",9614290,NA,"PDBC55468","101319","Present",NA,NA
+"55469","[(E)-[(3S)-3-Acetyloxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino] 4-[bis(2-chloroethyl)amino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"17E-(4-(Bis(2-chloroethyl)amino)benzoyloxyimino)-5-andro...",NA,"CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=NOC(=O)C5=CC=C(C=C5)N(CCCl)CCCl)C)C","YQVHDFBTVBMKKA-HVESJLOWSA-N",155814407,NA,"PDBC55469","761906","Present",NA,NA
+"55470","[(E)-[(3S,8R,10R,13S)-10,13-Dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino] N-ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(3S,8R,10R,13S)-10,13-Dimethyl-3-(oxan-2-yloxy)-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ylidene]amino] N-ethylcarbamate",NA,"CCNC(=O)ON=C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5CCCCO5)C)C","PFRLVNVJKGKXOK-HPWKMWPCSA-N",9569956,NA,"PDBC55470","629225","Present",NA,NA
+"55471","[(E)-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-Fluoro-17-(2-hexanoyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(6S,8S,9S,10R,11S,13S,14S,16R,17S)-6-Fluoro-17-(2-hexanoyloxyacetyl)-11-hydroxy-10,13,16-trimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine",NA,"CCCCCC(=O)OCC(=O)C1C(CC2C1(CC(C3C2CC(C4=CC(=NOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)C=CC34C)F)O)C)C","SWWFYEFPGVFWNB-GLOFCQFWSA-N",9572000,NA,"PDBC55471","684408","Present",NA,NA
+"55472","[(E)-[(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] acridine-4-carboxylate",NA,"CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NOC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)CCC34","RVZCJQPQXZJTBZ-PDHQMZKCSA-N",9572108,NA,"PDBC55472","703873","Present",NA,NA
+"55473","[(E)-[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-propanoyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-propanoyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate",NA,"CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34C)C","JYRURPNBAOWHTI-OCTMWCKJSA-N",9571991,NA,"PDBC55473","683412","Present",NA,NA
+"55474","[(E)-[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-propanoyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-propanoyloxy-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] acridine-4-carboxylate",NA,"CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=NOC(=O)C5=CC=CC6=CC7=CC=CC=C7N=C65)CCC34C)C","RZKAVZUVSAOJAF-RBKOKMFKSA-N",9572110,NA,"PDBC55474","703875","Present",NA,NA
+"55475","[(E)-[(8R,9S,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(8R,9S,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate",NA,"CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=NOC(=O)C5=CC=CC6=C5NC7=CC=CC=C7C6=O)CCC34","LNSRLWLDTBUMPE-SCFHEKCPSA-N",9571993,NA,"PDBC55475","683784","Present",NA,NA
+"55476","[(E)-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-[(Z)-C-methyl-N-(9-oxo-10H-acridine-4-carbonyl)oxycarbonimidoyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-oxo-10H-acridine-4-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-[(Z)-C-methyl-N-(9-oxo-10H-acridine-4-carbonyl)oxycarbonimidoyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino] 9-ox",NA,"CC(=NOC(=O)C1=CC=CC2=C1NC3=CC=CC=C3C2=O)C4CCC5C4(CCC6C5CCC7=CC(=NOC(=O)C8=CC=CC9=C8NC1=CC=CC=C1C9=O)CCC67C)C","JSXVUCANRATZAP-BKIHGHNFSA-N",24202547,NA,"PDBC55476","684411","Present",NA,NA
+"55477","[(E)-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(E)-1-[2-(3,5-Diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-3-(4-nitrophenyl)prop-2-enylidene]amino]thiourea",NA,"CC1=C(SC(=N1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C(=NNC(=S)N)C=CC5=CC=C(C=C5)[N+](=O)[O-]","XAZIYJYEOSJEBK-HEUWKEECSA-N",5932655,NA,"PDBC55477","642640","Present",NA,NA
+"55478","[(E)-[(Z)-3-Anilino-2-nitro-prop-2-enylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[(Z)-3-Anilino-2-nitro-prop-2-enylidene]amino]urea",NA,"C1=CC=C(C=C1)N=CC(=CNNC(=O)N)[N+](=O)[O-]","VQCODACAKBQHTC-LJJHHVQASA-N",5465383,NA,"PDBC55478","647251","Present",NA,NA
+"55479","[(E)-[1-(2-Chloroethyl)indol-3-yl]methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[1-(2-Chloroethyl)indol-3-yl]methyleneamino]thiourea",NA,"C1=CC=C2C(=C1)C(=CN2CCCl)C=NNC(=S)N","DHXKFYXCSHBACM-VIZOYTHASA-N",9554732,NA,"PDBC55479","649010","Present",NA,NA
+"55480","[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] N,N-dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[2-(2-Hydroxy-1H-indol-3-yl)indol-3-ylidene]amino] N,N-dimethylcarbamate",NA,"CN(C)C(=O)ON=C1C2=CC=CC=C2N=C1C3=C(NC4=CC=CC=C43)O","MLKUAMJCAHRSRD-CJLVFECKSA-N",135436302,NA,"PDBC55480","717841","Present",NA,NA
+"55481","[(E)-[2-[1-(2,4-Dinitroanilino)vinyl]chromen-4-ylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[2-[1-(2,4-Dinitroanilino)vinyl]chromen-4-ylidene]amino]thiourea",NA,"C=C(C1=CC(=NNC(=S)N)C2=CC=CC=C2O1)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]","HXNDNUNHSNUWDD-KGENOOAVSA-N",9571376,NA,"PDBC55481","649804","Present",NA,NA
+"55482","[(E)-[3,5,5-Trimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]cyclohex-2-en-1-ylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohex-2-en-1-ylidene]amino]thiourea",NA,"CC1=CC(=NNC(=S)N)C(C(C1)(C)C)C(C(F)(F)F)(C(F)(F)F)O","JFUDBCXCGILAGW-QPSGOUHRSA-N",9571423,NA,"PDBC55482","659270","Present",NA,NA
+"55483","[(E)-[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea; platinum(2+)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[3-Hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methyleneamino]thiourea; platinum(2+)",NA,NA,NA,NA,NA,"PDBC55483","613670","Present",NA,NA
+"55484","[(E)-[3-Methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[3-Methyl-5-(trifluoromethyl)pyrazol-4-ylidene]amino]-morpholino-amine",NA,"CC1=C(C(=NN1)C(F)(F)F)N=NN2CCOCC2","ZCMKKFLZOGVHPV-UHFFFAOYSA-N",279924,NA,"PDBC55484","131238","Present",NA,NA
+"55485","[(E)-[4,4,4-Trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[4,4,4-Trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butylidene]amino]thiourea",NA,"CC(=NNC(=S)N)CC(C(F)(F)F)(C(F)(F)F)O","TZLCLAJZJQCGIR-CRKCGEKBSA-N",9554734,NA,"PDBC55485","659187","Present",NA,NA
+"55486","[(E)-[4,4,4-Trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[4,4,4-Trifluoro-3-hydroxy-1-methyl-3-(trifluoromethyl)butylidene]amino]urea",NA,"CC(=NNC(=O)N)CC(C(F)(F)F)(C(F)(F)F)O","IYPWRMBIPMZJCT-CRKCGEKBSA-N",9555940,NA,"PDBC55486","659190","Present",NA,NA
+"55487","[(E)-[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[4,5-Bis(3,4-dimethoxyphenyl)-3-nitro-2-furyl]methyleneamino]thiourea",NA,"COC1=C(C=C(C=C1)C2=C(OC(=C2[N+](=O)[O-])C=NNC(=S)N)C3=CC(=C(C=C3)OC)OC)OC","PHNWBQNPWVTOQH-BHGWPJFGSA-N",9554691,NA,"PDBC55487","647259","Present",NA,NA
+"55488","[(E)-[4-[[6-[[4-[(Z)-(Carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[4-[[6-[[4-[(Z)-(Carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea",NA,"C1=CC(=NC(=C1)COC2=CC=C(C=C2)C=NNC(=S)N)COC3=CC=C(C=C3)C=NNC(=S)N","QKIKXJHJUBRLPQ-MKMZHBJZSA-N",5471967,NA,"PDBC55488","715647","Present",NA,NA
+"55489","[(E)-[5-Amino-4-(morpholinomethyl)-2-pyridyl]methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-[5-Amino-4-(morpholinomethyl)-2-pyridyl]methyleneamino]thiourea",NA,"C1COCCN1CC2=CC(=NC=C2N)C=NNC(=S)N","YJSBDJWAONKLBM-OMCISZLKSA-N",9571641,NA,"PDBC55489","693886","Present",NA,NA
+"55490","[(E)-[5-Fluoro-2-(4-methylsulfonylphenyl)-1H-indol-3-yl]methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((5-fluoro-2-(4-(methylsulfonyl)phenyl)-1H-indol-3-yl)...",NA,"CS(=O)(=O)C1=CC=C(C=C1)C2=C(C3=C(N2)C=CC(=C3)F)C=NNC(=S)N","LEAHOGHZIYEMQE-AWQFTUOYSA-N",155812680,NA,"PDBC55490","801886","Present",NA,NA
+"55491","[(E)-alpha,4-Difluorostyryl]phosphonic acid diethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-alpha,4-Difluorostyryl]phosphonic acid diethyl ester",NA,"CCOP(=O)(C(=CC1=CC=C(C=C1)F)F)OCC","YLJOPYBVOOTNFQ-FMIVXFBMSA-N",5910555,NA,"PDBC55491","682311","Present",NA,NA
+"55492","[(E)-hydroxyimino[?]yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-hydroxyimino[?]yl] acetate",NA,"CC(=O)OC12C(CCCCCC1=NO)C3=CC=CC=C23","QHNXIXKNGVLYPZ-BMRADRMJSA-N",9555915,NA,"PDBC55492","655289","Present",NA,NA
+"55493","[(E,1R)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E,1R)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate",NA,"C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6","MCZXWZWFFDMLMP-JCIKPBOZSA-N",54611949,NA,"PDBC55493","716791","Present",NA,NA
+"55494","[(E,1R)-1-[(3As,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E,1R)-1-[(3As,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate",NA,"C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6","MCZXWZWFFDMLMP-LIGRKOTKSA-N",54611951,NA,"PDBC55494","716793","Present",NA,NA
+"55495","[(E,1S)-1-[(2R,3Ar,5S,6aR)-5-[(1R)-1-(4-nitrobenzoyl)oxyprop-2-ynyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]hex-3-enyl] 4-nitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E,1S)-1-[(2R,3Ar,5S,6aR)-5-[(1R)-1-(4-nitrobenzoyl)oxyprop-2-ynyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]hex-3-enyl] 4-nitrobenzoate",NA,"CCC=CCC(C1CC2C(O1)CC(O2)C(C#C)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OC(=O)C4=CC=C(C=C4)[N+](=O)[O-]","IEZYBFJXCJNKLM-UMYIITBUSA-N",5469984,NA,"PDBC55495","695213","Present",NA,NA
+"55496","[(E,1S)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E,1S)-1-[(3Ar,7aR)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate",NA,"C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6","MCZXWZWFFDMLMP-DQMOSSGASA-N",54611948,NA,"PDBC55496","716790","Present",NA,NA
+"55497","[(E,1S)-1-[(3As,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E,1S)-1-[(3As,7aS)-1,3-dibenzyl-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-phenylprop-2-enyl] benzoate",NA,"C1CCC2C(C1)N(P(=O)(N2CC3=CC=CC=C3)C(C=CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)CC6=CC=CC=C6","MCZXWZWFFDMLMP-NVOFOMFTSA-N",54611950,NA,"PDBC55497","716792","Present",NA,NA
+"55498","[(E,2R)-3,5-Dimethyl-2,6-bis(phenylmethoxy)hex-3-enoxy]methylbenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E,2R)-3,5-Dimethyl-2,6-bis(phenylmethoxy)hex-3-enoxy]methylbenzene",NA,"CC(COCC1=CC=CC=C1)C=C(C)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3","AMYBQWRZQWNLFU-HZPOHUSUSA-N",5387041,NA,"PDBC55498","619968","Present",NA,NA
+"55499","[(Heptylamino)methylene]-1,1-bisphosphonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(heptylamino)methylene]-1,1-bisphosphonate",NA,"CCCCCCCNC(P(=O)(O)O)P(=O)(O)O","XKNJFNYUUOXFDP-UHFFFAOYSA-N",405388,NA,"PDBC55499","722617","Present",NA,NA
+"55500","[(N-nosylimino)iodo]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(N-nosylimino)iodo]benzene",NA,"C1=CC=C(C=C1)I=NS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]","PLLRSULCZLJOMW-UHFFFAOYSA-N",386471,NA,"PDBC55500","678497","Present",NA,NA
+"55501","[(Palm-D-Lys(Pro-Lys-Lys-Lys-Arg-Lys-Val)Pro-Gly)1D-Phe2 Pro3 D-Lys6]-LH-RH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Palm-D-Lys(Pro-Lys-Lys-Lys-Arg-Lys-Val)Pro-Gly)1D-Phe2...",NA,"CCCCCCCCCCCCCCC(=O)NC(CCCCNC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)N)C(=O)CN2CCCC2C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)NC(CO)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N","NYHACKDXDUZEHY-UHFFFAOYSA-N",24205862,NA,"PDBC55501","737028","Present",NA,NA
+"55502","[(Palm-D-Lys-Gly)1 D-Phe2 Pro3 D-Lys6]-LH-RH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Palm-D-Lys-Gly)1 D-Phe2 Pro3 D-Lys6]-LH-RH",NA,"CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CO)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N4CCCC4C(=O)NCC(=O)N","RHXJRBNNAKRZAL-UHFFFAOYSA-N",24205860,NA,"PDBC55502","737026","Present",NA,NA
+"55503","[(Palm-D-Lys-Pro-Gly)1 D-Phe2 Pro3 D-Lys6]-LH-RH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Palm-D-Lys-Pro-Gly)1 D-Phe2 Pro3 D-Lys6]-LH-RH",NA,"CCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)CN1CCCC1C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N5CCCC5C(=O)NCC(=O)N","ITADCDHQOAJYRV-UHFFFAOYSA-N",24205859,NA,"PDBC55503","737025","Present",NA,NA
+"55504","[(Palm-Pro-Gly)1 D-Phe2 Ala3 D-Lys6]-LH-RH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Palm-Pro-Gly)1 D-Phe2 Ala3 D-Lys6]-LH-RH",NA,"CCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)N4CCCC4C(=O)NCC(=O)N","FSDTVYGKLANONT-UHFFFAOYSA-N",24205861,NA,"PDBC55504","737027","Present",NA,NA
+"55505","[(Palm-Pro-Gly)1 D-Phe2 Pro3 D-Lys(H-Pro-Lys-Lys-Lys-Arg-Lys-Val) 6]-LH-RH",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Palm-Pro-Gly)1 D-Phe2 Pro3 D-Lys(H-Pro-Lys-Lys-Lys-Arg...",NA,"CCCCCCCCCCCCCCCCC(=O)N1CCCC1C(=O)NCC(=O)NC(C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NC(CO)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CCCCNC(=O)C5CCCN5C(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCCN)NC(=O)C(C(C)C)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)N6CCCC6C(=O)NCC(=O)N","DMWOWVCBABDXOT-UHFFFAOYSA-N",24205863,NA,"PDBC55505","737029","Present",NA,NA
+"55506","[(Z)-(1-Chloro-2-methylpropylidene)amino] N-[4-(trifluoromethoxy)phenyl]carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-(1-Chloro-2-methylpropylidene)amino] N-[4-(trifluoromethoxy)phenyl]carbamate",NA,"CC(C)C(=NOC(=O)NC1=CC=C(C=C1)OC(F)(F)F)Cl","ZTVMANIEPQFOCX-ZDLGFXPLSA-N",9556199,NA,"PDBC55506","672056","Present",NA,NA
+"55507","[(Z)-(1-Hydrazino-2-phenyl-ethylidene)amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-(1-Hydrazino-2-phenyl-ethylidene)amino]thiourea",NA,"C1=CC=C(C=C1)CC(=NN)NNC(=S)N","JTUPEICVTAAZMJ-UHFFFAOYSA-N",5920013,NA,"PDBC55507","642652","Present",NA,NA
+"55508","[(Z)-(2,6-Dichloro-3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-(2,6-Dichloro-3-nitrophenyl)methylideneamino] N-(3,4-dichlorophenyl)carbamate",NA,"C1=CC(=C(C=C1NC(=O)ON=CC2=C(C=CC(=C2Cl)[N+](=O)[O-])Cl)Cl)Cl","LBKDDFLZINZFIG-SWNXQHNESA-N",54604080,NA,"PDBC55508","107818","Present",NA,NA
+"55509","[(Z)-(3,3-Dimethylnorbornan-2-ylidene)amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-(3,3-Dimethylnorbornan-2-ylidene)amino]urea",NA,"CC1(C2CCC(C2)C1=NNC(=O)N)C","JIXUDARVWQCSOK-WQLSENKSSA-N",6284943,NA,"PDBC55509","670176","Present",NA,NA
+"55510","[(Z)-(5-Amino-4-methylisoquinolin-1-yl)methylideneamino]thiourea;methanesulfonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-(5-Amino-4-methylisoquinolin-1-yl)methylideneamino]thiourea;methanesulfonic acid",NA,"CC1=CN=C(C2=C1C(=CC=C2)N)C=NNC(=S)N.CS(=O)(=O)O","QHYDSWKICJWAAZ-NKBLJONXSA-N",6916213,NA,"PDBC55510","316160","Present",NA,NA
+"55511","[(Z)-(5-Aminoisoquinolin-1-yl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isoquinaldaldehyde, 5-amino-, thiosemicarbazone (8ci)",NA,"C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)N","MLTULNASULCZLR-UUASQNMZSA-N",6069240,NA,"PDBC55511","205105","Present",NA,NA
+"55512","[(Z)-(5-Aminopyridin-2-yl)methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-[(5-amino-2-pyridinyl)methyle...",NA,"C1=CC(=NC=C1N)C=NNC(=S)N","AUTPZEFNZJADCK-NYYWCZLTSA-N",9556467,NA,"PDBC55512","266743","Present",NA,NA
+"55513","[(Z)-(6,9-Dimethoxyindeno[1,2-c]quinolin-11-ylidene)amino] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-(6,9-Dimethoxyindeno[1,2-c]quinolin-11-ylidene)amino] acetate",NA,"CC(=O)ON=C1C2=C(C=CC(=C2)OC)C3=C1C4=CC=CC=C4N=C3OC","UEQRIKWUTKVIQZ-QOCHGBHMSA-N",24205578,NA,"PDBC55513","736187","Present",NA,NA
+"55514","[(Z)-(7-Methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-ylidene)amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-(7-Methoxy-4a-methyl-3,4,9,10-tetrahydrophenanthren-2-ylidene)amino]urea",NA,"CC12CCC(=NNC(=O)N)C=C1CCC3=C2C=CC(=C3)OC","ZAONFEXQEUMPKU-UYRXBGFRSA-N",9571352,NA,"PDBC55514","647378","Present",NA,NA
+"55515","[(Z)-(9-Methoxy-6-oxo-5H-indeno[1,2-c]quinolin-11-ylidene)amino] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-(9-Methoxy-6-oxo-5H-indeno[1,2-c]quinolin-11-ylidene)amino] acetate",NA,"CC(=O)ON=C1C2=C(C=CC(=C2)OC)C3=C1C4=CC=CC=C4NC3=O","MCZVOYAFIHWNLF-UZYVYHOESA-N",135580410,NA,"PDBC55515","734656","Present",NA,NA
+"55516","[(Z)-(9-Methoxyindeno[1,2-c]quinolin-11-ylidene)amino] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-(9-Methoxyindeno[1,2-c]quinolin-11-ylidene)amino] acetate",NA,"CC(=O)ON=C1C2=C(C=CC(=C2)OC)C3=C1C4=CC=CC=C4N=C3","LAHRUUMKPJXVSF-VZCXRCSSSA-N",24205575,NA,"PDBC55516","736184","Present",NA,NA
+"55517","[(Z)-2-Cyclopentyloxyethenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699754",NA,"CC(=O)OC=COC1CCCC1","YDZJDFIHOLYODF-SREVYHEPSA-N",5470335,NA,"PDBC55517","699754","Present",NA,NA
+"55518","[(Z)-3-Chloroprop-1-enoxy]carbonyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-3-Chloroprop-1-enoxy]carbonyl acetate",NA,"CC(=O)OC(=O)OC=CCCl","NCQAZLHPUWDRSC-RQOWECAXSA-N",5387029,NA,"PDBC55518","619928","Present",NA,NA
+"55519","[(Z)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-4-(3,5-Dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate",NA,"CC(=O)OCC=CCN1C(=O)NC(=O)C=N1","LOMCVIBNJVYAJR-IHWYPQMZSA-N",5468887,NA,"PDBC55519","678977","Present",NA,NA
+"55520","[(Z)-4-(6-Bromo-3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-4-(6-Bromo-3,5-dioxo-1,2,4-triazin-2-yl)but-2-enyl] acetate",NA,"CC(=O)OCC=CCN1C(=O)NC(=O)C(=N1)Br","WIDZXOUBYCHPRK-IHWYPQMZSA-N",5468894,NA,"PDBC55520","678984","Present",NA,NA
+"55521","[(Z)-4-Nitro-5-phenanthren-9-ylpent-4-enyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Penten-1-ol, 4-nitro-5-(9-phenanthryl)-, acetate",NA,"CC(=O)OCCCC(=CC1=CC2=CC=CC=C2C3=CC=CC=C31)[N+](=O)[O-]","YIAWNHCXKUPDLR-JXAWBTAJSA-N",5380575,NA,"PDBC55521","100777","Present",NA,NA
+"55522","[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-(triethylazaniumyl)carbonimidoyl]-(4-chlorophenyl)sulfonylazanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-(triethylazaniumyl)carbonimidoyl]-(4-chlorophenyl)sulfonylazanide",NA,"CC[N+](CC)(CC)C(=NS(=O)(=O)C1=C(C=C(C(=C1)C)Cl)S)[N-]S(=O)(=O)C2=CC=C(C=C2)Cl","KTIIHSILGYTEHA-UHFFFAOYSA-N",9572355,NA,"PDBC55522","713026","Present",NA,NA
+"55523","[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(2,5-dichlorothiophen-3-yl)sulfonylazanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(2,5-dichlorothiophen-3-yl)sulfonylazanide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C([N-]S(=O)(=O)C2=C(SC(=C2)Cl)Cl)[N+]3=CC=C(C=C3)N(C)C","HONDEZYHUJLVFN-UHFFFAOYSA-N",9572354,NA,"PDBC55523","713025","Present",NA,NA
+"55524","[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-N-(4-Chloro-5-methyl-2-sulfanylphenyl)sulfonyl-C-[4-(dimethylamino)pyridin-1-ium-1-yl]carbonimidoyl]-(4-chlorophenyl)sulfonylazanide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N=C([N-]S(=O)(=O)C2=CC=C(C=C2)Cl)[N+]3=CC=C(C=C3)N(C)C","CVGRGQFASLXFMO-UHFFFAOYSA-N",9572352,NA,"PDBC55524","713023","Present",NA,NA
+"55525","[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 3,4-dichlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 3,4-dichlorobenzoate",NA,"C1CC(=CC2=CC=CC=C2)C(=NOC(=O)C3=CC(=C(C=C3)Cl)Cl)C1","SXDUFHVPFVDDDD-UAXFXBOISA-N",5930671,NA,"PDBC55525","629640","Present",NA,NA
+"55526","[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-chlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-chlorobenzoate",NA,"C1CC(=CC2=CC=CC=C2)C(=NOC(=O)C3=CC=C(C=C3)Cl)C1","OBAZIFAXNYZODE-GCNHKXQDSA-N",5933248,NA,"PDBC55526","629641","Present",NA,NA
+"55527","[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-methoxybenzoate",NA,"COC1=CC=C(C=C1)C(=O)ON=C2CCCC2=CC3=CC=CC=C3","JPEHXBNJNKFMBG-JNWXMYNPSA-N",6077192,NA,"PDBC55527","629652","Present",NA,NA
+"55528","[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-nitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] 4-nitrobenzoate",NA,"C1CC(=CC2=CC=CC=C2)C(=NOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C1","ADUJMBNROFOHIU-LDORSNRDSA-N",5930381,NA,"PDBC55528","629647","Present",NA,NA
+"55529","[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[(2E)-2-Benzylidenecyclopentylidene]amino] benzoate",NA,"C1CC(=CC2=CC=CC=C2)C(=NOC(=O)C3=CC=CC=C3)C1","YLFWHGYQKGQRHV-RRQVPDQSSA-N",5404020,NA,"PDBC55529","629648","Present",NA,NA
+"55530","[(Z)-[(3-Hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-(4-methoxyphenyl)methylidene]amino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[(3-Hydroxy-5-nitro-2-oxo-1H-indol-3-yl)-(4-methoxyphenyl)methylidene]amino]urea",NA,"COC1=CC=C(C=C1)C(=NNC(=O)N)C2(C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)O","AOEOXWMQNTWQRN-ZHZULCJRSA-N",6163531,NA,"PDBC55530","618416","Present",NA,NA
+"55531","[(Z)-[2-[2-(2-Hydroxy-1-oxo-tetralin-2-yl)ethyl]tetralin-1-ylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[2-[2-(2-Hydroxy-1-oxo-tetralin-2-yl)ethyl]tetralin-1-ylidene]amino]thiourea",NA,"C1CC2=CC=CC=C2C(=NNC(=S)N)C1CCC3(CCC4=CC=CC=C4C3=O)O","HLNWYZBGDBIXCE-QQTULTPQSA-N",9571467,NA,"PDBC55531","667064","Present",NA,NA
+"55532","[(Z)-[2-[[6-[[2-[(Z)-(Carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[2-[[6-[[2-[(Z)-(Carbamothioylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]thiourea",NA,"C1=CC=C(C(=C1)C=NNC(=S)N)OCC2=NC(=CC=C2)COC3=CC=CC=C3C=NNC(=S)N","ZZAUGKCEPFFRMA-KTDSDSLMSA-N",54611756,NA,"PDBC55532","715648","Present",NA,NA
+"55533","[(Z)-[2-[[6-[[2-[(Z)-(Carbamoylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[2-[[6-[[2-[(Z)-(Carbamoylhydrazinylidene)methyl]phenoxy]methyl]pyridin-2-yl]methoxy]phenyl]methylideneamino]urea",NA,"C1=CC=C(C(=C1)C=NNC(=O)N)OCC2=NC(=CC=C2)COC3=CC=CC=C3C=NNC(=O)N","CSQCCUMKTOFGQT-KTDSDSLMSA-N",54604867,NA,"PDBC55533","714407","Present",NA,NA
+"55534","[(Z)-[4-(2,4-Dichloroanilino)-2-oxo-1-naphthylidene]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[4-(2,4-Dichloroanilino)-2-oxo-1-naphthylidene]amino]thiourea",NA,"C1=CC=C2C(=C1)C(=CC(=C2N=NC(=S)N)O)NC3=C(C=C(C=C3)Cl)Cl","IHEGDXDRNFXKNE-UHFFFAOYSA-N",3000994,NA,"PDBC55534","657676","Present",NA,NA
+"55535","[(Z)-[5-(1,1,2,2,3,3,3-Heptafluoropropyl)isoquinolin-1-yl]methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-[[5-(heptafluoropropyl)-1-iso...",NA,"C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)C(C(C(F)(F)F)(F)F)(F)F","IYJACKLHQZCAOV-UMDHDWCXSA-N",5995822,NA,"PDBC55535","185042","Present",NA,NA
+"55536","[(Z)-[5-(Trifluoromethyl)isoquinolin-1-yl]methylideneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrazinecarbothioamide, 2-[[5-(trifluoromethyl)-1-isoqu...",NA,"C1=CC2=C(C=CN=C2C=NNC(=S)N)C(=C1)C(F)(F)F","LVZDIKXEFVVOAF-FXBPXSCXSA-N",5873452,NA,"PDBC55536","185040","Present",NA,NA
+"55537","[(Z)-[6-[3-[(E)-N-Acetyloxy-C-methylcarbonimidoyl]anilino]-9-methoxyindeno[1,2-c]quinolin-11-ylidene]amino] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[6-[3-[(E)-N-Acetyloxy-C-methylcarbonimidoyl]anilino]-9-methoxyindeno[1,2-c]quinolin-11-ylidene]amino] acetate",NA,"CC(=NOC(=O)C)C1=CC(=CC=C1)NC2=NC3=CC=CC=C3C4=C2C5=C(C4=NOC(=O)C)C=C(C=C5)OC","HWKOBLZZVGIPSL-OKJQJVAISA-N",24205580,NA,"PDBC55537","736189","Present",NA,NA
+"55538","[(Z)-[6-[4-[(E)-N-Acetyloxy-C-methylcarbonimidoyl]anilino]-9-methoxyindeno[1,2-c]quinolin-11-ylidene]amino] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[6-[4-[(E)-N-Acetyloxy-C-methylcarbonimidoyl]anilino]-9-methoxyindeno[1,2-c]quinolin-11-ylidene]amino] acetate",NA,"CC(=NOC(=O)C)C1=CC=C(C=C1)NC2=NC3=CC=CC=C3C4=C2C5=C(C4=NOC(=O)C)C=C(C=C5)OC","KFZTVOOQICQANC-OKJQJVAISA-N",24205579,NA,"PDBC55538","736188","Present",NA,NA
+"55539","[(Z)-[Amino-(4-methylphenyl)methylidene]amino] (Z)-3-acetyloxybut-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(Z)-[Amino-(4-methylphenyl)methylidene]amino] (Z)-3-acetyloxybut-2-enoate",NA,"CC1=CC=C(C=C1)C(=NOC(=O)C=C(C)OC(=O)C)N","AGTZGVBKLYJDAG-NTMALXAHSA-N",9569812,NA,"PDBC55539","619190","Present",NA,NA
+"55540","[1,1'-Binaphthalene]-3,3',4,4'-tetrone, 2,2',6,6'-tetramethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,1'-Binaphthalene]-3,3',4,4'-tetrone, 2,2',6,6'-tetram...",NA,"CC1=CC2=C(C=C1)C(=C(C(=O)C2=O)C)C3=C(C(=O)C(=O)C4=C3C=CC(=C4)C)C","INZJEVFGUQNHRA-UHFFFAOYSA-N",386890,NA,"PDBC55540","679748","Present",NA,NA
+"55541","[1,1'-Binaphthalene]-3,4-dione, 2',7-dihydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-Hydroxy-4-(2-hydroxy-1-naphthyl)naphthalene-1,2-dione",NA,"C1=CC=C2C(=C1)C=CC(=C2C3=CC(=O)C(=O)C4=C3C=C(C=C4)O)O","VNUAKVWFRMEBEP-UHFFFAOYSA-N",364885,NA,"PDBC55541","631700","Present",NA,NA
+"55542","[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di(1-piperidinyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di(1-piperidinyl)-",NA,"C1CCN(CC1)C2=C(C3=CC=CC=C3C(=C2)C4=CC(=C(C5=CC=CC=C54)O)N6CCCCC6)O","PBWRKFLYAGYRHA-UHFFFAOYSA-N",379384,NA,"PDBC55542","663926","Present",NA,NA
+"55543","[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di-4-morpholinyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,1'-Binaphthalene]-4,4'-diol, 3,3'-di-4-morpholinyl-",NA,"C1COCCN1C2=C(C3=CC=CC=C3C(=C2)C4=CC(=C(C5=CC=CC=C54)O)N6CCOCC6)O","HSMSIXLBEUEYGC-UHFFFAOYSA-N",382422,NA,"PDBC55543","669985","Present",NA,NA
+"55544","[1,1'-Binaphthalene]-8,8'-dicarboxylic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Dina acid",NA,"C1=CC2=C(C(=C1)C3=CC=CC4=C3C(=CC=C4)C(=O)O)C(=CC=C2)C(=O)O","XGDAODQNSVFBGM-UHFFFAOYSA-N",94908,NA,"PDBC55544","7810","Present",NA,NA
+"55545","[1,1'-Binaphthalene]-8-carboxaldehyde, 2,2',7,7'-tetrahydroxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8-(2,7-Dihydroxy-1-naphthyl)-2,7-dihydroxy-naphthalene-1-carbaldehyde",NA,"C1=CC(=CC2=C1C=CC(=C2C3=C(C=CC4=C3C(=C(C=C4)O)C=O)O)O)O","KMCHFCKHNHBQNL-UHFFFAOYSA-N",374354,NA,"PDBC55545","651926","Present",NA,NA
+"55546","[1,1'-Biphenyl]-4-yl(cyano)methyl diethyl phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,1'-Biphenyl]-4-yl(cyano)methyl diethyl phosphate",NA,"CCOP(=O)(OCC)OC(C#N)C1=CC=C(C=C1)C2=CC=CC=C2","NMCYMTOSPVPREO-UHFFFAOYSA-N",369715,NA,"PDBC55546","641768","Present",NA,NA
+"55547","[1,2,3,4,5-Pentakis(methoxycarbonyl)cyclopenta-2,4-dien-1-yl]potassium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,2,3,4,5-Pentakis(methoxycarbonyl)cyclopenta-2,4-dien-1-yl]potassium",NA,"COC(=O)[C-]1C(=C(C(=C1C(=O)OC)C(=O)OC)C(=O)OC)C(=O)OC.[K+]","WBSDCQCPRGIZKC-UHFFFAOYSA-N",494484,NA,"PDBC55547","625124","Present",NA,NA
+"55548","[1,2,3-Trichloro-2-phenyl-3-(trifluoromethyl)cyclopropyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,2,3-Trichloro-2-phenyl-3-(trifluoromethyl)cyclopropyl]benzene",NA,"C1=CC=C(C=C1)C2(C(C2(C(F)(F)F)Cl)(C3=CC=CC=C3)Cl)Cl","JHECBPQLNLDWBJ-UHFFFAOYSA-N",357613,NA,"PDBC55548","617137","Present",NA,NA
+"55549","[1,2,4]Oxadiazolo[4,3-c]quinazolin-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,2,4]Oxadiazolo[4,3-c]quinazolin-3-one",NA,"C1=CC=C2C(=C1)C3=NOC(=O)N3C=N2","IPISHVIJAOGTDA-UHFFFAOYSA-N",389760,NA,"PDBC55549","686355","Present",NA,NA
+"55550","[1,2,4]Triazino[4,3-a]benzimidazol-4(1H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,2,4]Triazino[4,3-a]benzimidazol-4(1H)-one",NA,"C1=CC=C2C(=C1)N=C3N2C(=O)C=NN3","UTTCYYFYTSCSMS-UHFFFAOYSA-N",386677,NA,"PDBC55550","679204","Present",NA,NA
+"55551","[1,2,4]Triazolo[1,5-a]pyrimidine-6-carboxylic acid, 4,7-dihydro-2-(4-morpholinyl)-7-oxo-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-morpholino-7-oxo-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate",NA,"COC(=O)C1=CN=C2N=C(NN2C1=O)N3CCOCC3","XPGFRWFZUKREFV-UHFFFAOYSA-N",365157,NA,"PDBC55551","632294","Present",NA,NA
+"55552","[1,2,4]Triazolo[3,4-b][1,3,5]benzothiadiazepin-5(6H)-imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,2,4]Triazolo[3,4-b][1,3,5]benzothiadiazepin-5(6H)-imine",NA,"C1=CC=C2C(=C1)N=C(N3C=NN=C3S2)N","CAOQZWGGOUPHNY-UHFFFAOYSA-N",383200,NA,"PDBC55552","671318","Present",NA,NA
+"55553","[1,2,5]Triazepino[3,4,5-jk]carbazole, 1,2,3,5,6,7-hexahydro-9-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,2,5]Triazepino[3,4,5-jk]carbazole, 1,2,3,5,6,7-hexahydro-9-methoxy-",NA,"COC1=CC2=C(C=C1)N3CCNN=C4C3=C2CCC4","DNYDAJTZRILLJB-UHFFFAOYSA-N",367836,NA,"PDBC55553","637911","Present",NA,NA
+"55554","[1,2-Dimethyl-4-(methylcarbamoyloxymethyl)-5-(4-phenylphenyl)pyrrol-3-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-3,4-dimethanol, 2-[1,1'-biphenyl]-4-yl-1,5-di...",NA,"CC1=C(C(=C(N1C)C2=CC=C(C=C2)C3=CC=CC=C3)COC(=O)NC)COC(=O)NC","ZSOIFICKFJJSNP-UHFFFAOYSA-N",327239,NA,"PDBC55554","301480","Present",NA,NA
+"55555","[1,2]Benzodithiino[5,4,3-cde][1,2]benzodithiin, 1,3,6,8-tetramethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3,6,8-Tetramethoxy-benzo[1,2]dithiino[5,4,3-c,d,e]benz...",NA,"COC1=CC(=C2C3=C1SSC4=C3C(=C(C=C4OC)OC)SS2)OC","GAXPEBJJRKJTNF-UHFFFAOYSA-N",370122,NA,"PDBC55555","642714","Present",NA,NA
+"55556","[1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride",NA,"C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=C(C=C(C4=C2)Cl)Cl)C(F)(F)F)O.Cl","LKEGCHADFJGXPA-UHFFFAOYSA-N",24198818,NA,"PDBC55556","305770","Present",NA,NA
+"55557","[1,3]Benzodioxolo[5,6-b][1,8]naphthyridin-10(5H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,3]Benzodioxolo[5,6-b][1,8]naphthyridin-10(5H)-one",NA,"C1OC2=C(O1)C=C3C(=C2)C(=O)C4=C(N3)N=CC=C4","ATMCPQFDMIRXMA-UHFFFAOYSA-N",378712,NA,"PDBC55557","661817","Present",NA,NA
+"55558","[1,3]Benzothiazolo[5,4-b][1,8]naphthyridin-11(6H)-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,3]Benzothiazolo[5,4-b][1,8]naphthyridin-11(6H)-one",NA,"C1=CC2=C(NC3=C(C2=O)C4=C(C=C3)SC=N4)N=C1","SQKLXLYWOZGOCD-UHFFFAOYSA-N",378713,NA,"PDBC55558","661818","Present",NA,NA
+"55559","[1,3]Benzoxathiepino[5,4-d]pyrimidine 5,5-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,3]Benzoxathiepino[5,4-d]pyrimidine 5,5-dioxide",NA,"C1OC2=CC=CC=C2C3=NC=NC=C3S1(=O)=O","FYUILLLHLJAQAF-UHFFFAOYSA-N",371337,NA,"PDBC55559","645468","Present",NA,NA
+"55560","[1,3]Benzoxazolo[2,3-b]quinazolin-12-imine;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC668348",NA,"C1=CC=C2C(=C1)C(=N)N3C4=CC=CC=C4OC3=N2.Cl","PJKPTFCILDQEBT-UHFFFAOYSA-N",381558,NA,"PDBC55560","668348","Present",NA,NA
+"55561","[1,3]Dithiolo[4,5-f]pentathiepin-7-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,3]Dithiolo[4,5-f]pentathiepin-7-one",NA,"C12=C(SC(=O)S1)SSSSS2","JLRCUCDYZVYOBF-UHFFFAOYSA-N",391275,NA,"PDBC55561","690229","Present",NA,NA
+"55562","[1,4-Dihydroxy-3-(methylsulfonyloxymethyl)-5,8-dioxonaphthalen-2-yl]methyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,4-Dihydroxy-3-(methylsulfonyloxymethyl)-5,8-dioxonaphthalen-2-yl]methyl methanesulfonate",NA,"CS(=O)(=O)OCC1=C(C(=C2C(=O)C=CC(=O)C2=C1O)O)COS(=O)(=O)C","ALYFPFDAEURRHN-UHFFFAOYSA-N",427774,NA,"PDBC55562","219889","Present",NA,NA
+"55563","[1,5-Bis(dimethylamino)pentan-3-ylideneamino] benzoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC632837",NA,"CN(C)CCC(=NOC(=O)C1=CC=CC=C1)CCN(C)C.Cl","GQDIDXWINRXNMV-UHFFFAOYSA-N",365282,NA,"PDBC55563","632837","Present",NA,NA
+"55564","[1,5-Bis(ethylamino)-5-phosphono-pentyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,5-Bis(ethylamino)-5-phosphono-pentyl]phosphonic acid",NA,"CCNC(CCCC(NCC)P(=O)(O)O)P(=O)(O)O","FZPZYOMNLOJCHX-UHFFFAOYSA-N",363913,NA,"PDBC55564","629302","Present",NA,NA
+"55565","[1,5-Bis[(2-aminoacetyl)amino]-5-phosphono-pentyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,5-Bis[(2-aminoacetyl)amino]-5-phosphono-pentyl]phosphonic acid",NA,"C(CC(NC(=O)CN)P(=O)(O)O)CC(NC(=O)CN)P(=O)(O)O","HZLIYXKJDMAPBT-UHFFFAOYSA-N",363916,NA,"PDBC55565","629305","Present",NA,NA
+"55566","[1,5-Diamino-5-[hydroxy(phenyl)phosphoryl]pentyl]-phenyl-phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,5-Diamino-5-[hydroxy(phenyl)phosphoryl]pentyl]-phenyl-phosphinic acid",NA,"C1=CC=C(C=C1)P(=O)(C(CCCC(N)P(=O)(C2=CC=CC=C2)O)N)O","MORAYAMPBZMRCK-UHFFFAOYSA-N",375452,NA,"PDBC55566","655184","Present",NA,NA
+"55567","[1-(1-Diphenylphosphinothioylcyclopropyl)cyclopropyl]-diphenyl-thioxo-$l^{5}-phosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(1-Diphenylphosphinothioylcyclopropyl)cyclopropyl]-diphenyl-thioxo-$l^{5}-phosphane",NA,"C1CC1(C2(CC2)P(=S)(C3=CC=CC=C3)C4=CC=CC=C4)P(=S)(C5=CC=CC=C5)C6=CC=CC=C6","LXHRFLFVOCPECH-UHFFFAOYSA-N",364689,NA,"PDBC55567","631341","Present",NA,NA
+"55568","[1-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] N-(2,4-dichlorophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] N-(2,4-dichlorophenyl)carbamate",NA,"C1=CC(=C(C=C1Cl)Cl)C(CN2C=NC=N2)OC(=O)NC3=C(C=C(C=C3)Cl)Cl","CTKKZQPFOCEYLC-UHFFFAOYSA-N",368989,NA,"PDBC55568","640490","Present",NA,NA
+"55569","[1-(2,6-Dichlorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazol-6-yl]-phenyl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(2,6-Dichlorophenyl)-1,3-dihydrothiazolo[3,4-a]benzimidazol-6-yl]-phenyl-methanone",NA,"C1C2=NC3=C(N2C(S1)C4=C(C=CC=C4Cl)Cl)C=CC(=C3)C(=O)C5=CC=CC=C5","DYYHXKARBMDCQX-UHFFFAOYSA-N",395910,NA,"PDBC55569","701005","Present",NA,NA
+"55570","[1-(2-Chloroethyl)-2-methyl-4-oxopyridin-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(2-Chloroethyl)-2-methyl-4-oxopyridin-3-yl] acetate",NA,"CC1=C(C(=O)C=CN1CCCl)OC(=O)C","XAKZUSAZPSZZIA-UHFFFAOYSA-N",338075,NA,"PDBC55570","358873","Present",NA,NA
+"55571","[1-(2-Hydroxy-1-naphthyl)-2-naphthyl] 2-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(2-Hydroxy-1-naphthyl)-2-naphthyl] 2-phenylpropanoate",NA,"CC(C1=CC=CC=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)O","KSCUIWLQYJARAZ-UHFFFAOYSA-N",364599,NA,"PDBC55571","631127","Present",NA,NA
+"55572","[1-(2-Hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]imino-oxidoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrazole-1-ethanol, 4,4'-azoxybis(3,5-dimethyl-",NA,"CC1=C(C(=NN1CCO)C)N=[N+](C2=C(N(N=C2C)CCO)C)[O-]","PJVSLEAQHXBIJR-UHFFFAOYSA-N",301772,NA,"PDBC55572","179945","Present",NA,NA
+"55573","[1-(2-Pyridinyl)ethylidene]hydrazinecarbodithioic acid, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(2-PYRIDINYL)ETHYLIDENE]HYDRAZINECARBODITHIOIC ACID, ...",NA,"CC(=NNC(=S)SC)C1=CC=CC=N1","IFRMECQLFGLWCS-YRNVUSSQSA-N",5947235,NA,"PDBC55573","251190","Present",NA,NA
+"55574","[1-(3,4-Dimethoxyphenyl)-4,5-dimethoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC701562///NSC701563",NA,"COC1=C(C=C(C=C1)C23C(C(CC4=CC(=C(C=C42)OC)OC)CO3)CO)OC","CIQMFHJWBNOVQL-UHFFFAOYSA-N",396063,NA,"PDBC55574","701562///701563","Present",NA,NA
+"55575","[1-(3,4-Dimethoxyphenyl)-4,5-dimethoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(3,4-Dimethoxyphenyl)-4,5-dimethoxy-11-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-12-yl]methyl acetate",NA,"CC(=O)OCC1C2CC3=CC(=C(C=C3C1(OC2)C4=CC(=C(C=C4)OC)OC)OC)OC","GVZPMSFHNAIPPW-UHFFFAOYSA-N",396066,NA,"PDBC55575","701566","Present",NA,NA
+"55576","[1-(4,6-Dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(4,6-Dimethyl-3-oxo-[1,2]thiazolo[5,4-b]pyridin-2-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl] acetate",NA,"CC1=CC(=NC2=C1C(=O)N(S2)CC(CN3CCN(CC3)C4=CC=CC=N4)OC(=O)C)C","PEJBOYJTKDNYMR-UHFFFAOYSA-N",401094,NA,"PDBC55576","713917","Present",NA,NA
+"55577","[1-(4-Bromophenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-3,4-dimethanol, 1-(4-bromophenyl)-2,5-dimethy...",NA,"CC1=C(C(=C(N1C2=CC=C(C=C2)Br)C)COC(=O)NC)COC(=O)NC","NOXVZSNBOAHZRU-UHFFFAOYSA-N",321870,NA,"PDBC55577","276362","Present",NA,NA
+"55578","[1-(4-Butylphenyl)-2,5-dimethyl-4-(methylcarbamoyloxymethyl)pyrrol-3-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Pyrrole-3,4-dimethanol, 1-(4-butylphenyl)-2,5-dimethy...",NA,"CCCCC1=CC=C(C=C1)N2C(=C(C(=C2C)COC(=O)NC)COC(=O)NC)C","OJPMBLRAELYHST-UHFFFAOYSA-N",321869,NA,"PDBC55578","276361","Present",NA,NA
+"55579","[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3,5-dimethylpyrazol-1-yl)methanone",NA,"CC1=CC(=NN1C(=O)C2=NN(C=C2O)C3=CC=C(C=C3)Cl)C","NWTMCJPBPGKDQK-UHFFFAOYSA-N",46884875,NA,"PDBC55579","748378","Present",NA,NA
+"55580","[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-(3-methyl-4,5-dihydrobenzo[g]indazol-2-yl)methanone",NA,"CC1=C2CCC3=CC=CC=C3C2=NN1C(=O)C4=NN(C=C4O)C5=CC=C(C=C5)Cl","DWTHWQFUKBSGGN-UHFFFAOYSA-N",46865789,NA,"PDBC55580","748383","Present",NA,NA
+"55581","[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(4-Chlorophenyl)-4-hydroxypyrazol-3-yl]-[5-phenyl-3-(trifluoromethyl)pyrazol-1-yl]methanone",NA,"C1=CC=C(C=C1)C2=CC(=NN2C(=O)C3=NN(C=C3O)C4=CC=C(C=C4)Cl)C(F)(F)F","AGYQWFQUAYIERA-UHFFFAOYSA-N",54613586,NA,"PDBC55581","748379","Present",NA,NA
+"55582","[1-(4-Methoxyphenyl)-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(4-Methoxyphenyl)-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate",NA,"CNC(=O)OCC1=C(CN(C1)C2=CC=C(C=C2)OC)COC(=O)NC","OXHDYUBMCINMIS-UHFFFAOYSA-N",376893,NA,"PDBC55582","658079","Present",NA,NA
+"55583","[1-(4-Methoxyphenyl)-5-methyl-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(4-Methoxyphenyl)-5-methyl-4-(methylcarbamoyloxymethyl)-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate",NA,"CC1C(=C(CN1C2=CC=C(C=C2)OC)COC(=O)NC)COC(=O)NC","XZRNPSMHVKZAHY-UHFFFAOYSA-N",376895,NA,"PDBC55583","658081","Present",NA,NA
+"55584","[1-(5-Amino-4-cyano-oxazol-2-yl)-2-hydroxy-ethyl]-benzyl-carbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(5-Amino-4-cyano-oxazol-2-yl)-2-hydroxy-ethyl]-benzyl-carbamic acid",NA,"C1=CC=C(C=C1)CN(C(CO)C2=NC(=C(O2)N)C#N)C(=O)O","SZAYETSHPYTHGG-UHFFFAOYSA-N",390377,NA,"PDBC55584","687719","Present",NA,NA
+"55585","[1-(5-Hydroxy-7-methoxy-4-oxochromen-2-yl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(5-Hydroxy-7-methoxy-4-oxochromen-2-yl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-yl] acetate",NA,"CC(=O)OC1(C=CC(C=C1)OC2C(C(C(C(O2)CO)O)O)O)C3=CC(=O)C4=C(C=C(C=C4O3)OC)O","CVEDYQSTVABSGP-UHFFFAOYSA-N",396468,NA,"PDBC55585","702645","Present",NA,NA
+"55586","[1-(7,8,9,10-Tetrahydrophenanthridin-6-yl)piperidin-4-yl]methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(7,8,9,10-Tetrahydrophenanthridin-6-yl)-4-piperidyl]methanamine",NA,"C1CCC2=C(C1)C3=CC=CC=C3N=C2N4CCC(CC4)CN","UUAKCBNXSFFFOQ-UHFFFAOYSA-N",399484,NA,"PDBC55586","710334","Present",NA,NA
+"55587","[1-(Benzenesulfonyl)indol-2-yl]-phenyl-methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Benzenesulfonyl)indol-2-yl]-phenyl-methanol",NA,"C1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N2S(=O)(=O)C4=CC=CC=C4)O","FNSGKSWTHDNXBI-UHFFFAOYSA-N",392288,NA,"PDBC55587","692422","Present",NA,NA
+"55588","[1-(Benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Benzenesulfonyl)indol-2-yl]-(4-pyridyl)methanol",NA,"C1=CC=C(C=C1)S(=O)(=O)N2C3=CC=CC=C3C=C2C(C4=CC=NC=C4)O","LUTVVMQFMOVHFI-UHFFFAOYSA-N",398272,NA,"PDBC55588","707986","Present",NA,NA
+"55589","[1-(Benzenesulfonyl)indol-3-yl]methyl-triethylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Benzenesulfonyl)indol-3-yl]methyl-triethylazanium;bromide",NA,"CC[N+](CC)(CC)CC1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3.[Br-]","ROPOGDAKUKCERP-UHFFFAOYSA-M",374855,NA,"PDBC55589","653279","Present",NA,NA
+"55590","[1-(Benzenesulfonyl)indol-3-yl]methyl-triphenylphosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Triphenyl{[1-(phenylsulfonyl)-1h-indol-3-yl]methyl}phosphonium bromide",NA,"C1=CC=C(C=C1)[P+](CC2=CN(C3=CC=CC=C32)S(=O)(=O)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","ZOVAYVBIPZYHBN-UHFFFAOYSA-M",374836,NA,"PDBC55590","653263","Present",NA,NA
+"55591","[1-(Benzenesulfonyloxy)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(benzenesulfonyloxy)-4,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate",NA,"CC1=C2CCC3C(C2=C(C=C1)OS(=O)(=O)C4=CC=CC=C4)CCC5(C3CCC5OC(=O)C)C","UJPIXJNFAQABFH-UHFFFAOYSA-N",386755,NA,"PDBC55591","679434","Present",NA,NA
+"55592","[1-(Benzhydrylamino)-3-methylsulfanylpropyl]-hydroxy-oxophosphanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC669684",NA,"CSCCC(NC(C1=CC=CC=C1)C2=CC=CC=C2)[P+](=O)O","NQNRNLPXMBAEGX-UHFFFAOYSA-O",6331333,NA,"PDBC55592","669684","Present",NA,NA
+"55593","[1-(Carbamoyloxymethyl)-2-(4-chlorophenoxy)ethyl] 3,5-dinitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Carbamoyloxymethyl)-2-(4-chlorophenoxy)ethyl] 3,5-dinitrobenzoate",NA,"C1=CC(=CC=C1OCC(COC(=O)N)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])Cl","PRZKFAPINLZRBT-UHFFFAOYSA-N",367007,NA,"PDBC55593","636334","Present",NA,NA
+"55594","[1-(Chloromethyl)-5-(dimethylamino)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Chloromethyl)-5-(dimethylamino)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,"CN(C)C1=CC2=C(C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl)C5=CC=CC=C51","JYLCAMDFFFVDAY-UHFFFAOYSA-N",391697,NA,"PDBC55594","691242","Present",NA,NA
+"55595","[1-(Chloromethyl)-5-(methylamino)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[e]indol-5-amine, 1-(chloromethyl)-2,3-dihydro-N-...",NA,"CNC1=CC2=C(C(CN2C(=O)C3=CC4=CC(=C(C(=C4N3)OC)OC)OC)CCl)C5=CC=CC=C51","DRTNXALIYSNZIV-UHFFFAOYSA-N",392743,NA,"PDBC55595","693546","Present",NA,NA
+"55596","[1-(Chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Chloromethyl)-5-hydroxy-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)O)CCl)OC)OC","NRHDGIYFJJUFKN-UHFFFAOYSA-N",394558,NA,"PDBC55596","698103","Present",NA,NA
+"55597","[1-(Chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Chloromethyl)-5-nitro-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)[N+](=O)[O-])CCl)OC)OC","HVXXVNCXGUXSCQ-UHFFFAOYSA-N",391699,NA,"PDBC55597","691244","Present",NA,NA
+"55598","[1-(Tert-Butyloxycarbonyl)-2-chloro-1H-indole-3-ylcarbonyl] isothiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl 2-chloro-3-(isothiocyanatocarbonyl)-1h-indole-1-carboxylate",NA,"CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1Cl)C(=O)N=C=S","KVJUPBLXWQHXCI-UHFFFAOYSA-N",405273,NA,"PDBC55598","722426","Present",NA,NA
+"55599","[1-(Tert-butylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanyl-1-oxopropan-2-yl] (2S)-3-(tert-butyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Tert-butylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanyl-1-oxopropan-2-yl] (2S)-3-(tert-butyldisulfanyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NC(C)(C)C)OC(=O)C(CSSC(C)(C)C)NC(=O)OC(C)(C)C","APYDHYPYYCTZEQ-VQCQRNETSA-N",54612863,NA,"PDBC55599","748899","Present",NA,NA
+"55600","[1-(Tert-butylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanyl-1-oxopropan-2-yl] 3-phenylselanylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(Tert-butylamino)-3-(3-methyl-1,4-dioxonaphthalen-2-yl)selanyl-1-oxopropan-2-yl] 3-phenylselanylpropanoate",NA,"CC1=C(C(=O)C2=CC=CC=C2C1=O)[Se]CC(C(=O)NC(C)(C)C)OC(=O)CC[Se]C3=CC=CC=C3","LGOZPAXNUDGRBN-UHFFFAOYSA-N",54613747,NA,"PDBC55600","748882","Present",NA,NA
+"55601","[1-Amino-2-(1H-indol-3-yl)ethyl]-methoxyphosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonic acid, [1-amino-2-(3-indolyl)ethyl]-, methyl e...",NA,"COP(=O)(C(CC1=CNC2=CC=CC=C21)N)O","UIXPRYNNEGLCHX-UHFFFAOYSA-N",382176,NA,"PDBC55601","669635","Present",NA,NA
+"55602","[1-Amino-2-(1H-indol-3-yl)ethyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphonic acid, [1-amino-2-(1H-indol-3-yl)ethyl]- (9CI)",NA,"C1=CC=C2C(=C1)C(=CN2)CC(N)P(=O)(O)O","ZUEMQUDNGYLGGA-UHFFFAOYSA-N",382136,NA,"PDBC55602","669581","Present",NA,NA
+"55603","[1-Amino-2-(3,4-dihydroxyphenyl)ethyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Amino-2-(3,4-dihydroxyphenyl)ethyl]phosphonic acid",NA,"C1=CC(=C(C=C1CC(N)P(=O)(O)O)O)O","IKXXVDZMRIWEMJ-UHFFFAOYSA-N",382133,NA,"PDBC55603","669579","Present",NA,NA
+"55604","[1-Amino-2-(4-chloro-5-methyl-2-mercaptobenzenesulfonyl)guanidino]acetic hydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Amino-2-(4-chloro-5-methyl-2-mercaptobenzenesulfonyl)guanidino]acetic hydrazide",NA,"CC1=CC(=C(C=C1Cl)S)S(=O)(=O)NC(=NCC(=O)NN)NN","XFGVBGKFYKDGTG-UHFFFAOYSA-N",378506,NA,"PDBC55604","661106","Present",NA,NA
+"55605","[1-Amino-3-(methylsulfonimidoyl)propyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Amino-3-(methylsulfonimidoyl)propyl]phosphonic acid",NA,"CS(=N)(=O)CCC(N)P(=O)(O)O","MGPJMISAPIOFNA-UHFFFAOYSA-N",338117,NA,"PDBC55605","359098","Present",NA,NA
+"55606","[1-Benzoyl-2-(2-hydroxy-2-phenylethyl)indol-3-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(2-Hydroxy-2-phenylethyl)-1H-indole-1,3-diyl]bis(phenylmethanone)",NA,"C1=CC=C(C=C1)C(CC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5)O","FLVOVPQHZOKXSZ-UHFFFAOYSA-N",374845,NA,"PDBC55606","653271","Present",NA,NA
+"55607","[1-Benzoyl-2-(2-hydroxy-2-pyridin-2-ylethyl)indol-3-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Benzoyl-2-(2-hydroxy-2-pyridin-2-ylethyl)indol-3-yl]-phenylmethanone",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)C(=O)C4=CC=CC=C4)CC(C5=CC=CC=N5)O","JTWDDFZOTHKNSI-UHFFFAOYSA-N",374846,NA,"PDBC55607","653272","Present",NA,NA
+"55608","[1-Benzoyl-2-(2-hydroxy-2-pyridin-3-ylethyl)indol-3-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Benzoyl-2-(2-hydroxy-2-pyridin-3-ylethyl)indol-3-yl]-phenylmethanone",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)C(=O)C4=CC=CC=C4)CC(C5=CN=CC=C5)O","BMAMBNTZRPGRTE-UHFFFAOYSA-N",374847,NA,"PDBC55608","653273","Present",NA,NA
+"55609","[1-Benzoyl-2-(2-hydroxy-2-pyridin-4-ylethyl)indol-3-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Benzoyl-2-(2-hydroxy-2-pyridin-4-ylethyl)indol-3-yl]-phenylmethanone",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)C(=O)C4=CC=CC=C4)CC(C5=CC=NC=C5)O","DMXAGYMQJXLOAU-UHFFFAOYSA-N",374848,NA,"PDBC55609","653274","Present",NA,NA
+"55610","[1-Benzoyl-2-[(benzylamino)methyl]indol-3-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{2-[(Benzylamino)methyl]-1H-indole-1,3-diyl}bis(phenylmethanone)",NA,"C1=CC=C(C=C1)CNCC2=C(C3=CC=CC=C3N2C(=O)C4=CC=CC=C4)C(=O)C5=CC=CC=C5","CKXHBOOZRVVPKN-UHFFFAOYSA-N",374841,NA,"PDBC55610","653267","Present",NA,NA
+"55611","[1-Benzoyl-3-[[2-(1H-indol-2-yl)-1,3-dioxolan-2-yl]methyl]piperidin-4-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Benzoyl-3-[[2-(1h-indol-2-yl)-1,3-dioxolan-2-yl]methyl]-4-piperidyl] acetate",NA,"CC(=O)OC1CCN(CC1CC2(OCCO2)C3=CC4=CC=CC=C4N3)C(=O)C5=CC=CC=C5","ROTFTJCCHAVTKC-UHFFFAOYSA-N",392270,NA,"PDBC55611","692410","Present",NA,NA
+"55612","[1-Ethyl-4-hydroxy-1-methyl-4-(4-methylphenyl)piperidin-1-ium-3-yl]-(4-methylphenyl)methanone;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Ethyl-4-hydroxy-1-methyl-3-(4-methylbenzoyl)-4-(4-methylphenyl)piperidinium bromide",NA,"CC[N+]1(CCC(C(C1)C(=O)C2=CC=C(C=C2)C)(C3=CC=C(C=C3)C)O)C.[Br-]","LSVJLIASCXLDND-UHFFFAOYSA-M",377757,NA,"PDBC55612","659348","Present",NA,NA
+"55613","[1-Ethyl-4-hydroxy-4-(4-methoxyphenyl)-1-methylpiperidin-1-ium-3-yl]-(4-methoxyphenyl)methanone;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Piperidinium, 1-ethyl-4-hydroxy-4-(4-methoxyphenyl)- 3-[...",NA,"CC[N+]1(CCC(C(C1)C(=O)C2=CC=C(C=C2)OC)(C3=CC=C(C=C3)OC)O)C.[Br-]","OFPDKHQLIRZXJE-UHFFFAOYSA-M",370033,NA,"PDBC55613","642597","Present",NA,NA
+"55614","[1-Hydroxy-1-[hydroxy-(2-hydroxy-3-morpholino-propoxy)phosphoryl]ethyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Hydroxy-1-[hydroxy-(2-hydroxy-3-morpholino-propoxy)phosphoryl]ethyl]phosphonic acid",NA,"CC(O)(P(=O)(O)O)P(=O)(O)OCC(CN1CCOCC1)O","PBTUUOMHVRSRTO-UHFFFAOYSA-N",394266,NA,"PDBC55614","697589","Present",NA,NA
+"55615","[1-Hydroxy-3-[(2Z)-4-methyl-2-phenylimino-thiazol-3-yl]-1-phosphono-propyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Hydroxy-3-[(2Z)-4-methyl-2-phenylimino-thiazol-3-yl]-1-phosphono-propyl]phosphonic acid",NA,"CC1=CSC(=NC2=CC=CC=C2)N1CCC(O)(P(=O)(O)O)P(=O)(O)O","UQLBMLXJUQDLEE-UHFFFAOYSA-N",394245,NA,"PDBC55615","697574","Present",NA,NA
+"55616","[1-Methoxy-2-[[[(2-methoxy-2-phenylethoxy)-dimethylsilyl]amino]-dimethylsilyl]oxyethyl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Methoxy-2-[[[(2-methoxy-2-phenyl-ethoxy)-dimethyl-silyl]amino]-dimethyl-silyl]oxy-ethyl]benzene",NA,"COC(CO[Si](C)(C)N[Si](C)(C)OCC(C1=CC=CC=C1)OC)C2=CC=CC=C2","BBXJSIZHVSRIQN-UHFFFAOYSA-N",395863,NA,"PDBC55616","700865","Present",NA,NA
+"55617","[1-Methyl-2-(propan-2-ylcarbamoyloxymethyl)-4,5-dihydrobenzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Methyl-4,5-dihydro-1H-benzo[g]indole-2,3-diyl)dimethanediyl bis(propan-2-ylcarbamate)",NA,"CC(C)NC(=O)OCC1=C(N(C2=C1CCC3=CC=CC=C32)C)COC(=O)NC(C)C","UVEOGQFCIJJVTL-UHFFFAOYSA-N",362966,NA,"PDBC55617","627457","Present",NA,NA
+"55618","[1-Methyl-2-[[1-methyl-4,5-bis(methylcarbamoyloxymethyl)imidazol-2-yl]disulfanyl]-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Methyl-2-[[1-methyl-4,5-bis(methylcarbamoyloxymethyl)imidazol-2-yl]disulfanyl]-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate",NA,"CNC(=O)OCC1=C(N(C(=N1)SSC2=NC(=C(N2C)COC(=O)NC)COC(=O)NC)C)COC(=O)NC","VNDVENSECNSMGR-UHFFFAOYSA-N",361116,NA,"PDBC55618","623926","Present",NA,NA
+"55619","[1-Methyl-4-[1-methyl-4-(3-methoxysulfonyl)propanamido]pyrole-2-carboxamido]propane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Methyl-4-[1-methyl-4-(3-methoxysulfonyl)propanamido]p...",NA,"CCCNC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)CCS(=O)(=O)OC","FNOTXVZCRJUJHO-UHFFFAOYSA-N",395869,NA,"PDBC55619","700906","Present",NA,NA
+"55620","[1-Methyl-5-(5-selenophen-2-ylselenophen-2-yl)pyrrol-2-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Methyl-5-(5-selenophen-2-ylselenophen-2-yl)pyrrol-2-yl]methanol",NA,"CN1C(=CC=C1C2=CC=C([Se]2)C3=CC=C[Se]3)CO","LGRXVHQRGONTAX-UHFFFAOYSA-N",399994,NA,"PDBC55620","711173","Present",NA,NA
+"55621","[1-Methyl-5-(methylcarbamoyloxymethyl)-2-(oxan-2-ylsulfanyl)imidazol-4-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Methyl-5-(methylcarbamoyloxymethyl)-2-(oxan-2-ylsulfanyl)imidazol-4-yl]methyl N-methylcarbamate",NA,"CNC(=O)OCC1=C(N(C(=N1)SC2CCCCO2)C)COC(=O)NC","PQKMQJDWCHBYHJ-UHFFFAOYSA-N",361114,NA,"PDBC55621","623924","Present",NA,NA
+"55622","[1-Methyl-5-(methylcarbamoyloxymethyl)-2-propan-2-ylsulfanylimidazol-4-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Methyl-2-(propan-2-ylsulfanyl)-1H-imidazole-4,5-diyl]dimethanediyl bis(methylcarbamate)",NA,"CC(C)SC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC","ZGIWZCNUWYHETD-UHFFFAOYSA-N",361108,NA,"PDBC55622","623917","Present",NA,NA
+"55623","[1-Methyl-5-(methylcarbamoyloxymethyl)-2-propylsulfanyl-imidazol-4-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Methyl-5-(methylcarbamoyloxymethyl)-2-propylsulfanyl-imidazol-4-yl]methyl N-methylcarbamate",NA,"CCCSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC","YAJUJGFVTIUXID-UHFFFAOYSA-N",355284,NA,"PDBC55623","623922","Present",NA,NA
+"55624","[1-Tert-butoxycarbonyl-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)-2-hydroxy-ethyl]actinium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-Tert-butoxycarbonyl-2-(5-ethoxycarbonyl-1H-pyrrol-2-yl)-2-hydroxy-ethyl]actinium",NA,"CCOC(=O)C1=CC=C(N1)C([CH-]C(=O)OC(C)(C)C)O.[Ac]","QNPOLOHQGCQNIN-UHFFFAOYSA-N",393281,NA,"PDBC55624","694947","Present",NA,NA
+"55625","[1-[(1,3-Dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(1,3-Dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate",NA,"C1CCN(C1)CC(CNC2=CC(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)OC(=O)C5=CC=CC=C5","UZFLHKCBIXEKQY-UHFFFAOYSA-N",11671069,NA,"PDBC55625","735031","Present",NA,NA
+"55626","[1-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(1,3-Dimethyl-2,6-dioxopyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-yl] benzoate",NA,"CN1C(=CC(=O)N(C1=O)C)NCC(CN2CCCC2)OC(=O)C3=CC=CC=C3","RLLNXIBFPJIJPW-UHFFFAOYSA-N",11639615,NA,"PDBC55626","735033","Present",NA,NA
+"55627","[1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]-cyclobutylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(2-Bromo-5-hydroxy-4-methoxyphenyl)methyl]spiro[1,3,4,5,7,8-hexahydroisoquinoline-6,2'-1,3-dioxolane]-2-yl]-cyclobutylmethanone",NA,"COC1=C(C=C(C(=C1)Br)CC2C3=C(CCN2C(=O)C4CCC4)CC5(CC3)OCCO5)O","YFEYKEOWPPPBJW-UHFFFAOYSA-N",401792,NA,"PDBC55627","715522","Present",NA,NA
+"55628","[1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidin-4-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(2-Methoxynaphtho[1,2-f][1,3]benzodioxol-5-yl)methyl]piperidin-4-yl]methanol",NA,"COC1=CC2=C3C=C4C(=CC3=CC(=C2C=C1)CN5CCC(CC5)CO)OCO4","GFBRRLPJNPKOEJ-UHFFFAOYSA-N",16657823,NA,"PDBC55628","736597","Present",NA,NA
+"55629","[1-[(3-Carbamoyl-1,2,4-triazol-1-yl)methyl]cyclobutyl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(3-Carbamoyl-1,2,4-triazol-1-yl)methyl]cyclobutyl]methyl benzoate",NA,"C1CC(C1)(CN2C=NC(=N2)C(=O)N)COC(=O)C3=CC=CC=C3","ZZVIHXSKOLGVFC-UHFFFAOYSA-N",385285,NA,"PDBC55629","676396","Present",NA,NA
+"55630","[1-[(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-methylbutyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(3Ar,7aR)-1,3-bis(2,2-dimethylpropyl)-2-oxo-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]-3-methylbutyl] acetate",NA,"CC(C)CC(OC(=O)C)P1(=O)N(C2CCCCC2N1CC(C)(C)C)CC(C)(C)C","VULKYWQCSNPKOZ-OSBQEZSISA-N",397396,NA,"PDBC55630","705137","Present",NA,NA
+"55631","[1-[(4-Methoxyphenyl)methyl]-2-oxo-5H-indeno[1,2-b]pyridin-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(4-Methoxyphenyl)methyl]-2-oxo-5h-indeno[2,3-e]pyridin-3-yl] acetate",NA,"CC(=O)OC1=CC2=C(C3=CC=CC=C3C2)N(C1=O)CC4=CC=C(C=C4)OC","MURDMMHETDQDEU-UHFFFAOYSA-N",397443,NA,"PDBC55631","705301","Present",NA,NA
+"55632","[1-[(4-Methoxyphenyl)methyl]-2-oxo-5H-indeno[1,2-b]pyridin-3-yl] trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(4-Methoxyphenyl)methyl]-2-oxo-5h-indeno[2,3-e]pyridin-3-yl] trifluoromethanesulfonate",NA,"COC1=CC=C(C=C1)CN2C3=C(CC4=CC=CC=C43)C=C(C2=O)OS(=O)(=O)C(F)(F)F","HHDCRHGFWHOCQJ-UHFFFAOYSA-N",397447,NA,"PDBC55632","705305","Present",NA,NA
+"55633","[1-[(4-Methoxyphenyl)methyl]-4-methyl-2-oxobenzo[g]quinolin-3-yl] trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(4-Methoxyphenyl)methyl]-4-methyl-2-oxo-benzo[g]quinolin-3-yl] trifluoromethanesulfonate",NA,"CC1=C(C(=O)N(C2=CC3=CC=CC=C3C=C12)CC4=CC=C(C=C4)OC)OS(=O)(=O)C(F)(F)F","JOCHBIQGYBNHRJ-UHFFFAOYSA-N",397438,NA,"PDBC55633","705296","Present",NA,NA
+"55634","[1-[(4E,8E)-11-(Furan-3-yl)-4,8-dimethylundeca-4,8-dienyl]piperidin-4-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(11-(furan-3-yl)-4,8-dimethylundeca-4,8-dien-1-yl)pip...",NA,"CC(=CCCC(=CCCC1=COC=C1)C)CCCN2CCC(CC2)CO","JKGUXGSWVLFJNV-LHEDLMNPSA-N",155814643,NA,"PDBC55634","773157","Present",NA,NA
+"55635","[1-[(4E,8E)-4,8-Dimethyl-11-thiophen-3-ylundeca-4,8-dienyl]piperidin-4-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(4,8-dimethyl-11-(thiophen-3-yl)undeca-4,8-dien-1-yl)...",NA,"CC(=CCCC(=CCCC1=CSC=C1)C)CCCN2CCC(CC2)CO","XLRHRWIJFWNUQA-LHEDLMNPSA-N",155816175,NA,"PDBC55635","773159","Present",NA,NA
+"55636","[1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-morpholin-4-ylpropan-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-morpholin-4-ylpropan-2-yl] benzoate",NA,"C1COCCN1CC(CNC2=C(C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","DCGGCNCPFHXORN-UHFFFAOYSA-N",11657573,NA,"PDBC55636","735541","Present",NA,NA
+"55637","[1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(5-Benzoyl-1,3-dibenzyl-2,6-dioxopyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-yl] benzoate",NA,"C1CCN(CC1)CC(CNC2=C(C(=O)N(C(=O)N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","KWUOMTIDFCDTKL-UHFFFAOYSA-N",11679095,NA,"PDBC55637","735542","Present",NA,NA
+"55638","[1-[(E)-(5-Nitrofuran-2-yl)methylideneamino]benzimidazol-2-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(E)-(5-Nitrofuran-2-yl)methylideneamino]benzimidazol-2-yl]methanol",NA,"C1=CC=C2C(=C1)N=C(N2N=CC3=CC=C(O3)[N+](=O)[O-])CO","AGVXQVLNGAJRIL-VGOFMYFVSA-N",9572565,NA,"PDBC55638","720255","Present",NA,NA
+"55639","[1-[(E)-(6-Nitro-1,3-benzodioxol-5-yl)methylideneamino]benzimidazol-2-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[(E)-(6-Nitro-1,3-benzodioxol-5-yl)methylideneamino]benzimidazol-2-yl]methanol",NA,"C1OC2=C(O1)C=C(C(=C2)C=NN3C4=CC=CC=C4N=C3CO)[N+](=O)[O-]","OEVQTGRFXSTUPZ-REZTVBANSA-N",9572564,NA,"PDBC55639","720254","Present",NA,NA
+"55640","[1-[1-(3-Hydroxyphenyl)cyclohexyl]piperidin-4-yl] methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[1-(3-Hydroxyphenyl)cyclohexyl]-4-piperidyl] methanesulfonate",NA,"CS(=O)(=O)OC1CCN(CC1)C2(CCCCC2)C3=CC(=CC=C3)O","QFDXGUYWRBZUJX-UHFFFAOYSA-N",398424,NA,"PDBC55640","708127","Present",NA,NA
+"55641","[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxydecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(3-acetyloxy-4,5-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan",NA,"CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)O)O)OC(=O)C)O","BKAINXCRNSSKJW-UHFFFAOYSA-N",376250,NA,"PDBC55641","656956","Present",NA,NA
+"55642","[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxydecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[1-[[3-Hydroxy-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]amino]-1-oxodecan-3-yl]oxy-1-oxodecan-3-yl] 3-[4-(5-acetyloxy-3,4-dihydroxy-6-methyloxan-2-yl)oxy-3,5-dihydroxy-6-methyloxan",NA,"CCCCCCCC(CC(=O)NC(CO)C(=O)NC(CC(C)C)CO)OC(=O)CC(CCCCCCC)OC(=O)CC(CCCCCCC)OC1C(C(C(C(O1)C)O)OC2C(C(C(C(O2)C)OC(=O)C)O)O)O","NQJIGYHJVHFPKP-UHFFFAOYSA-N",376249,NA,"PDBC55642","656955","Present",NA,NA
+"55643","[1-[2-(Benzyloxycarbonylamino)acetyl]pyrrolidine-2-carbonyl] 1-[2-(benzyloxycarbonylamino)acetyl]pyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[2-(Phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl] 1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate",NA,"C1CC(N(C1)C(=O)CNC(=O)OCC2=CC=CC=C2)C(=O)OC(=O)C3CCCN3C(=O)CNC(=O)OCC4=CC=CC=C4","ZAAKDEKQXMLTLS-UHFFFAOYSA-N",382255,NA,"PDBC55643","669710","Present",NA,NA
+"55644","[1-[2-(Trifluoromethylsulfonyloxy)dibenzofuran-1-yl]dibenzofuran-2-yl] trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[2-(Trifluoromethylsulfonyloxy)dibenzofuran-1-yl]dibenzofuran-2-yl] trifluoromethanesulfonate",NA,"C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3C4=C(C=CC5=C4C6=CC=CC=C6O5)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F","ZCNHNIMMBHGZHK-UHFFFAOYSA-N",396462,NA,"PDBC55644","702436","Present",NA,NA
+"55645","[1-[3,4-Bis(ethoxycarbonyloxy)phenyl]-2-(propan-2-ylamino)ethyl] ethyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[3,4-Bis(ethoxycarbonyloxy)phenyl]-2-(propan-2-ylamino)ethyl] ethyl carbonate",NA,"CCOC(=O)OC1=C(C=C(C=C1)C(CNC(C)C)OC(=O)OCC)OC(=O)OCC","MKFWHCDCVRHFGH-UHFFFAOYSA-N",381715,NA,"PDBC55645","668575","Present",NA,NA
+"55646","[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol;hydrochloride",NA,"C1CC(CC1CCC2=CC=CC=C2)(CNC3=C(C(=NC(=N3)N)Cl)N)CO.Cl","MSEBZHFUSBPXHI-UHFFFAOYSA-N",399380,NA,"PDBC55646","710100","Present",NA,NA
+"55647","[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol;hydrochloride",NA,"C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)CCCCC3=CC=CC=C3.Cl","SXTSCGFQRLAXKG-UHFFFAOYSA-N",393614,NA,"PDBC55647","695805","Present",NA,NA
+"55648","[1-[[(2,5-Diamino-6-chloropyrimidin-4-yl)amino]methyl]-3-phenylmethoxycyclobutyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(Benzyloxy)-1-(((2,5-diamino-6-chloro-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol",NA,"C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N)CO)OCC3=CC=CC=C3","GLTYIOHVCFVXNA-UHFFFAOYSA-N",385247,NA,"PDBC55648","676360","Present",NA,NA
+"55649","[1-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-phenethyl-cyclopentyl]methanol",NA,"C1CC(CC1CCC2=CC=CC=C2)(CNC3=CC(=NC(=N3)N)Cl)CO","GTKRXPJZARRCLS-UHFFFAOYSA-N",399378,NA,"PDBC55649","710098","Present",NA,NA
+"55650","[1-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-(4-phenylbutyl)cyclobutyl]methanol",NA,"C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)CCCCC3=CC=CC=C3","ZWBCGNQLJXYUEO-UHFFFAOYSA-N",393613,NA,"PDBC55650","695804","Present",NA,NA
+"55651","[1-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]-3-benzylcyclopentyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[(2-Amino-6-chloro-pyrimidin-4-yl)amino]methyl]-3-benzyl-cyclopentyl]methanol",NA,"C1CC(CC1CC2=CC=CC=C2)(CNC3=CC(=NC(=N3)N)Cl)CO","XCISOXLYQYWPBE-UHFFFAOYSA-N",399382,NA,"PDBC55651","710101","Present",NA,NA
+"55652","[1-[[(2-Amino-6-chloropyrimidin-4-yl)amino]methyl]-3-phenylmethoxycyclobutyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-(((2-Amino-6-chloro-4-pyrimidinyl)amino)methyl)-3-(benzyloxy)cyclobutyl)methanol",NA,"C1C(CC1(CNC2=CC(=NC(=N2)N)Cl)CO)OCC3=CC=CC=C3","KKVGFCKNSJPYNG-UHFFFAOYSA-N",385227,NA,"PDBC55652","676340","Present",NA,NA
+"55653","[1-[[(3-Nitro-2-pyridyl)amino]methyl]cyclopentyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[(3-Nitro-2-pyridyl)amino]methyl]cyclopentyl]methanol",NA,"C1CCC(C1)(CNC2=C(C=CC=N2)[N+](=O)[O-])CO","FPZJUBSERKQFLU-UHFFFAOYSA-N",385302,NA,"PDBC55653","676414","Present",NA,NA
+"55654","[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]amino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate",NA,"CC(C(=O)NC1=NN=C(O1)C2=CC=C(C=C2)Cl)SC(=S)N3CCCC3","IJFKIXCNVIJTIE-UHFFFAOYSA-N",399295,NA,"PDBC55654","709984","Present",NA,NA
+"55655","[1-[[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] hexadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] hexadecanoate",NA,"CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)CC)O)OC(=O)CCCCCCCCCCCCCCC","KSZAYYVYELIROL-UHFFFAOYSA-N",390206,NA,"PDBC55655","687363","Present",NA,NA
+"55656","[1-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-[hydroxy-[4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl]oxyphosphoryl]oxypropan-2-yl] hexadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-3-[hydroxy-[4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-y",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)OP(=O)(O)OCC(COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=NC4=O)NCCCCCCCCCCCCCCCCCC)F)O)OC(=O)CCCCCCCCCCCCCCC)O","LXFIWLBIILJTPN-UHFFFAOYSA-N",394838,NA,"PDBC55656","698690","Present",NA,NA
+"55657","[1-[[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-[[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]-3-(2-phenylethyl)cyclopentyl]methanol",NA,"C1CC(CC1CCC2=CC=CC=C2)(CNC3=C(C(=NC(=N3)N)Cl)N=NC4=CC=C(C=C4)Cl)CO","FGBCMWFHUAMCNL-UHFFFAOYSA-N",399379,NA,"PDBC55657","710099","Present",NA,NA
+"55658","[1-[[[2-Amino-6-chloro-5-[(4-chlorophenyl)diazenyl]pyrimidin-4-yl]amino]methyl]-3-phenylmethoxycyclobutyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclobutanemethanol, 1-[[(2-amino-4-chloro-5-[(4-chlorop...///NSC684909///NSC684910",NA,"C1C(CC1(CNC2=C(C(=NC(=N2)N)Cl)N=NC3=CC=C(C=C3)Cl)CO)OCC4=CC=CC=C4","DDTJXELLKSUNLX-UHFFFAOYSA-N",385284,NA,"PDBC55658","676395///684909///684910","Present",NA,NA
+"55659","[10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[10,13-Dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate",NA,"CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3CC=C4C5(OCCO5)C)C)C","RKDVZUVKDIUZHM-UHFFFAOYSA-N",344419,NA,"PDBC55659","401312","Present",NA,NA
+"55660","[10-Cyanoimino-2-(hydroxymethyl)anthracen-9-ylidene]cyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[10-Cyanoimino-2-(hydroxymethyl)anthracen-9-ylidene]cyanamide",NA,"C1=CC=C2C(=C1)C(=NC#N)C3=C(C2=NC#N)C=C(C=C3)CO","RZGXRBTVXSWCLE-UHFFFAOYSA-N",400757,NA,"PDBC55660","713188","Present",NA,NA
+"55661","[10-Hydroxy-4-[9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-imino-purin-1-yl]-1,2,3,4-tetrahydroanthracen-9-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[10-Hydroxy-4-[9-[6-(hydroxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-iminopurin-1-yl]-1,2,3,4-tetrahydroanthracen-9-yl] acetate",NA,"CC(=O)OC1=C2CCCC(C2=C(C3=CC=CC=C31)O)N4C=NC5=C(C4=N)N=CN5C6C7C(C(O6)CO)OC(O7)(C)C","KHYITYJFSHBBLR-UHFFFAOYSA-N",371299,NA,"PDBC55661","645374","Present",NA,NA
+"55662","[10-[(2-Amino-3-phenylpropanoyl)oxymethyl]-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]methyl 2-amino-3-phenylpropanoate;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[10-[(2-Amino-3-phenylpropanoyl)oxymethyl]-3,5,9,11-tetraoxo-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradec-13-en-4-yl]methyl 2-amino-3-phenylpropanoate;2,2,2-trifluoroacetic acid",NA,"C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C(=O)N(C5=O)COC(=O)C(CC6=CC=CC=C6)N)N.C(=O)(C(F)(F)F)O","VLEAFKGSSDRUJK-UHFFFAOYSA-N",435891,NA,"PDBC55662","378475","Present",NA,NA
+"55663","[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] acetate",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)C","UBYGDKSAOVCBIG-UHFFFAOYSA-N",439026,NA,"PDBC55663","699152","Present",NA,NA
+"55664","[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[10-[2-(Diethylamino)ethylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate",NA,"CCN(CC)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)OCC","ZISQCARNIVGPNG-UHFFFAOYSA-N",439022,NA,"PDBC55664","699148","Present",NA,NA
+"55665","[10-[3-(Diethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[10-[3-(Diethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] ethyl carbonate",NA,"CCN(CC)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)OCC","FPCMHWRXGBEQPP-UHFFFAOYSA-N",439021,NA,"PDBC55665","699147","Present",NA,NA
+"55666","[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 4-nitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] 4-nitrobenzoate",NA,"CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-]","ZFHXKKGPURFZHT-UHFFFAOYSA-N",439024,NA,"PDBC55666","699150","Present",NA,NA
+"55667","[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] benzoate",NA,"CN(C)CCCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)OC(=O)C5=CC=CC=C5","RXAWNUPZPIHOOX-UHFFFAOYSA-N",439025,NA,"PDBC55667","699151","Present",NA,NA
+"55668","[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[10-[3-(Dimethylamino)propylamino]-8-oxo-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-5-yl] propanoate",NA,"CCC(=O)OC1=CC2=C(C=C1)N3C4=C(C=CC(=C4C2=O)NCCCN(C)C)N=N3","GANQTUGRZMHJPD-UHFFFAOYSA-N",439023,NA,"PDBC55668","699149","Present",NA,NA
+"55669","[16,18-Dioxo-17-(propan-2-ylideneamino)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[16,18-Dioxo-17-(propan-2-ylideneamino)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate",NA,"CC(=NN1C(=O)C2C3C4=CC=CC=C4C(C2C1=O)(C5=CC=CC=C35)OC(=O)C)C","IZWDECYHTPOGKZ-UHFFFAOYSA-N",379881,NA,"PDBC55669","665073","Present",NA,NA
+"55670","[17-(2-Hydroxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[17-(2-Hydroxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate",NA,"CC(=O)OC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=C6O","HRTYZVGCRUWRMX-UHFFFAOYSA-N",379879,NA,"PDBC55670","665071","Present",NA,NA
+"55671","[17-(2-Methoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[17-(2-Methoxyphenyl)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-1-yl] acetate",NA,"CC(=O)OC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=C6OC","WGLJYSRWLJTYLN-UHFFFAOYSA-N",379878,NA,"PDBC55671","665070","Present",NA,NA
+"55672","[1]Benzofuro[3,2-c]quinolin-6-ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1]Benzofuro[3,2-c]quinolin-6-ol",NA,"C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4O3)C(=O)N2","WFRXPWMZAMUTCE-UHFFFAOYSA-N",376990,NA,"PDBC55672","658211","Present",NA,NA
+"55673","[1]Benzofuro[3,2-e][2,1,3]benzothiadiazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1]Benzofuro[3,2-e][2,1,3]benzothiadiazole",NA,"C1=CC=C2C(=C1)C3=C(O2)C=CC4=NSN=C43","HVAOYRJPFNGSDQ-UHFFFAOYSA-N",372119,NA,"PDBC55673","647064","Present",NA,NA
+"55674","[1]Benzofuro[3,2-f]phthalazine-1,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1]Benzofuro[3,2-f]phthalazine-1,4-diol",NA,"C1=CC=C2C(=C1)C3=C(O2)C=CC4=C3C(=O)NNC4=O","CXMJWBVJYWZTDU-UHFFFAOYSA-N",376279,NA,"PDBC55674","656993","Present",NA,NA
+"55675","[1]Benzothieno[2, 2-(azidomethyl)-5,6,7,8-tetrahydro-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1]Benzothieno[2,3-d]pyrimidin-4-amine, 2-(azidomethyl)-...",NA,"C1CCC2=C(C1)C3=C(N=C(N=C3S2)CN=[N+]=[N-])N.Cl","VRMIYQTUKBDRMY-UHFFFAOYSA-N",392968,NA,"PDBC55675","694211","Present",NA,NA
+"55676","[1]Benzothieno[2,3-b]quinoxaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1]Benzothieno[2,3-b]quinoxaline",NA,"C1=CC=C2C(=C1)C3=NC4=CC=CC=C4N=C3S2","YJJGTGWWLRKTAI-UHFFFAOYSA-N",279101,NA,"PDBC55676","129364","Present",NA,NA
+"55677","[1]Benzothieno[3,2-h]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1]Benzothieno[3,2-h]isoquinoline",NA,"C1=CC=C2C(=C1)C3=C(S2)C4=C(C=C3)C=CN=C4","DLIRCADEYLIGEJ-UHFFFAOYSA-N",278923,NA,"PDBC55677","128877","Present",NA,NA
+"55678","[2,2'-Bi-1H-pyrrole]-3,3',5,5'-tetracarboxylic acid, 4,4'-dimethyl-, 3,3'-diethyl 5,5'-bis(phenylmethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-O-Benzyl 4-O-ethyl 5-(3-ethoxycarbonyl-4-methyl-5-phenylmethoxycarbonyl-1H-pyrrol-2-yl)-3-methyl-1H-pyrrole-2,4-dicarboxylate",NA,"CCOC(=O)C1=C(NC(=C1C)C(=O)OCC2=CC=CC=C2)C3=C(C(=C(N3)C(=O)OCC4=CC=CC=C4)C)C(=O)OCC","NSZBXNSAISNLAY-UHFFFAOYSA-N",361643,NA,"PDBC55678","624861","Present",NA,NA
+"55679","[2,2'-Bi-3H-indole]-3,3'-dione, 1,1'-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-oxido-2-(1-oxido-3-oxo-indol-1-ium-2-yl)indol-1-ium-3-one",NA,"C1=CC=C2C(=C1)C(=O)C(=C3C(=O)C4=CC=CC=C4[N+]3=O)N2[O-]","ORSKMIZDJSOETO-UHFFFAOYSA-N",362453,NA,"PDBC55679","626400","Present",NA,NA
+"55680","[2,2'-Bibicyclo[2.2.1]heptane]-3,3'-dione, 5,5',6,6,6',6'-hexamethyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,5,6-Trimethyl-3-(5,6,6-trimethyl-3-oxo-norbornan-2-yl)norbornan-2-one",NA,"CC1C2CC(C1(C)C)C(C2=O)C3C4CC(C3=O)C(C4(C)C)C","CTEHDPNSLFXLOZ-UHFFFAOYSA-N",376015,NA,"PDBC55680","656395","Present",NA,NA
+"55681","[2,2'-Bithiazole]-4,4'-diacetic acid, bis(2-phenylhydrazide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[4-[2-Oxo-2-(2-phenylhydrazinyl)ethyl]-1,3-thiazol-2-yl]-1,3-thiazol-4-yl]-N'-phenylacetohydrazide",NA,"C1=CC=C(C=C1)NNC(=O)CC2=CSC(=N2)C3=NC(=CS3)CC(=O)NNC4=CC=CC=C4","VJXOLDCDPGLJBF-UHFFFAOYSA-N",370054,NA,"PDBC55681","642615","Present",NA,NA
+"55682","[2,2'-Bithiazole]-5,5'-dicarboxylic acid, 4,4'-dimethyl-, bis(2,2-dimethylhydrazide)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[5-(Dimethylaminocarbamoyl)-4-methyl-1,3-thiazol-2-yl]-N',N',4-trimethyl-1,3-thiazole-5-carbohydrazide",NA,"CC1=C(SC(=N1)C2=NC(=C(S2)C(=O)NN(C)C)C)C(=O)NN(C)C","JAUBKOQOJIKZRX-UHFFFAOYSA-N",370075,NA,"PDBC55682","642634","Present",NA,NA
+"55683","[2,3,4,5-Tetraacetoxy-5-(3-acetyl-5-methylsulfanyl-2H-1,3,4-thiadiazol-2-yl)pentyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,3,4,5-Tetraacetoxy-5-(3-acetyl-5-methylsulfanyl-2H-1,3,4-thiadiazol-2-yl)pentyl] acetate",NA,"CC(=O)N1C(SC(=N1)SC)C(C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","FLSLWVRSSSRFCO-UHFFFAOYSA-N",378280,NA,"PDBC55683","660239","Present",NA,NA
+"55684","[2,3,4-Triacetoxy-5-oxo-6-[[4-oxo-2-(p-tolyl)quinazolin-3-yl]amino]hexyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,3,4-Triacetoxy-5-oxo-6-[[4-oxo-2-(p-tolyl)quinazolin-3-yl]amino]hexyl] acetate",NA,"CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2NCC(=O)C(C(C(COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","HCUIFFZDKGTQHR-UHFFFAOYSA-N",363501,NA,"PDBC55684","628419","Present",NA,NA
+"55685","[2,3,4-Triacetoxy-6-[(6-bromo-4-oxo-2-phenyl-quinazolin-3-yl)amino]-5-oxo-hexyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,3,4-Triacetoxy-6-[(6-bromo-4-oxo-2-phenyl-quinazolin-3-yl)amino]-5-oxo-hexyl] acetate",NA,"CC(=O)OCC(C(C(C(=O)CNN1C(=NC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C","KYMAPFVXGBCRTQ-UHFFFAOYSA-N",363502,NA,"PDBC55685","628420","Present",NA,NA
+"55686","[2,3,4-Triacetoxy-6-[[2-(2-chlorophenyl)-4-oxo-quinazolin-3-yl]amino]-5-oxo-hexyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,3,4-Triacetoxy-6-[[2-(2-chlorophenyl)-4-oxo-quinazolin-3-yl]amino]-5-oxo-hexyl] acetate",NA,"CC(=O)OCC(C(C(C(=O)CNN1C(=NC2=CC=CC=C2C1=O)C3=CC=CC=C3Cl)OC(=O)C)OC(=O)C)OC(=O)C","LZVACXIQYZGHGW-UHFFFAOYSA-N",363500,NA,"PDBC55686","628418","Present",NA,NA
+"55687","[2,3,4-Triacetoxy-6-[[6-bromo-2-(2-chlorophenyl)-4-oxo-quinazolin-3-yl]amino]-5-oxo-hexyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,3,4-Triacetoxy-6-[[6-bromo-2-(2-chlorophenyl)-4-oxo-quinazolin-3-yl]amino]-5-oxo-hexyl] acetate",NA,"CC(=O)OCC(C(C(C(=O)CNN1C(=NC2=C(C1=O)C=C(C=C2)Br)C3=CC=CC=C3Cl)OC(=O)C)OC(=O)C)OC(=O)C","HLCGIUQBBVVVHD-UHFFFAOYSA-N",363503,NA,"PDBC55687","628421","Present",NA,NA
+"55688","[2,3-Dichloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,3-Dichloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride",NA,"C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=C(C(=CC4=C2)Cl)Cl)C(F)(F)F)O.Cl","GAEXYGKNMFBEHT-UHFFFAOYSA-N",24198819,NA,"PDBC55688","305771","Present",NA,NA
+"55689","[2,4'-Bithiazole]-4-carboxamide, N-[3-[(4-aminobutyl)amino]propyl]-2'-(2-aminoethyl)-5'-chloro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[3-(4-Aminobutylamino)propyl]-2-[2-(2-aminoethyl)-5-chloro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide",NA,"C1=C(N=C(S1)C2=C(SC(=N2)CCN)Cl)C(=O)NCCCNCCCCN","KKFJFYWIRNILQS-UHFFFAOYSA-N",375600,NA,"PDBC55689","655424","Present",NA,NA
+"55690","[2,4'-Bithiazole]-4-carboxylic acid, 2'-(2-aminoethyl)-4,5-dihydro-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-(2-aminoethyl)thiazol-4-yl]-4,5-dihydrothiazole-4-carboxylate",NA,"COC(=O)C1CSC(=N1)C2=CSC(=N2)CCN","DKKDYACKXPBNBA-UHFFFAOYSA-N",362999,NA,"PDBC55690","627527","Present",NA,NA
+"55691","[2,4'-Bithiazole]-4-carboxylic acid, 2'-[2-(benzoylamino)ethyl]-5'-chloro-, ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2-(2-benzamidoethyl)-5-chloro-thiazol-4-yl]thiazole-4-carboxylate",NA,"CCOC(=O)C1=CSC(=N1)C2=C(SC(=N2)CCNC(=O)C3=CC=CC=C3)Cl","WFQKJYKRNLIUCT-UHFFFAOYSA-N",375606,NA,"PDBC55691","655428","Present",NA,NA
+"55692","[2,4'-Bithiazole]-4-carboxylic acid, 2'-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[2-[2-(tert-butoxycarbonylamino)ethyl]thiazol-4-yl]thiazole-4-carboxylate",NA,"CC(C)(C)OC(=O)NCCC1=NC(=CS1)C2=NC(=CS2)C(=O)OC","FNRZSKNTMLRYEN-UHFFFAOYSA-N",375607,NA,"PDBC55692","655429","Present",NA,NA
+"55693","[2,4'-Bithiazole]-4-carboxylic acid, 5,5'-dichloro-2'-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-, methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 5-chloro-2-[5-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxylate",NA,"CC(C)(C)OC(=O)NCCC1=NC(=C(S1)Cl)C2=NC(=C(S2)Cl)C(=O)OC","NLWVHQUPHDAZJC-UHFFFAOYSA-N",375609,NA,"PDBC55693","655431","Present",NA,NA
+"55694","[2,5-Dichloro-4-(cyanodiazenyl)phenyl]iminocyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E,E)-2,2'-(2,5-Dichlorobenzene-1,4-diyl)didiazenecarbonitrile",NA,"C1=C(C(=CC(=C1Cl)N=NC#N)Cl)N=NC#N","RIKMXFKYBLHXMA-UHFFFAOYSA-N",374550,NA,"PDBC55694","652481","Present",NA,NA
+"55695","[2,6-Bis[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-3,5-dichlorophenyl]-phenyldiazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,6-Bis[(Z)-1,2-bis(4-methoxyphenyl)ethenyl]-3,5-dichlorophenyl]-phenyldiazene",NA,"COC1=CC=C(C=C1)C=C(C2=CC=C(C=C2)OC)C3=C(C(=C(C=C3Cl)Cl)C(=CC4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)N=NC6=CC=CC=C6","RKKKIWXTZVTEKP-AODXDHPKSA-N",5471485,NA,"PDBC55695","711660","Present",NA,NA
+"55696","[2,6-Bis[(Z)-2-(4-methoxyphenyl)-1-phenylethenyl]-3,5-dimethylphenyl]-(3,5-dimethylphenyl)diazene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,6-Bis[(Z)-2-(4-methoxyphenyl)-1-phenylethenyl]-3,5-dimethylphenyl]-(3,5-dimethylphenyl)diazene",NA,"CC1=CC(=CC(=C1)N=NC2=C(C(=CC(=C2C(=CC3=CC=C(C=C3)OC)C4=CC=CC=C4)C)C)C(=CC5=CC=C(C=C5)OC)C6=CC=CC=C6)C","HXECOXYHKBCOEE-WZBCLHGCSA-N",5471486,NA,"PDBC55696","711661","Present",NA,NA
+"55697","[2,6-Bis[(dimethylamino)methyl]cyclohexyl] benzoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,6-Bis[(dimethylamino)methyl]cyclohexyl] benzoate;hydrochloride",NA,"CN(C)CC1CCCC(C1OC(=O)C2=CC=CC=C2)CN(C)C.Cl","KJRXLNTXUVWCHT-UHFFFAOYSA-N",24202118,NA,"PDBC55697","629644","Present",NA,NA
+"55698","[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-piperidin-2-ylmethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,6-Bis[4-(trifluoromethyl)phenyl]pyridin-4-yl]-piperidin-2-ylmethanol;hydrochloride",NA,"C1CCNC(C1)C(C2=CC(=NC(=C2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C(F)(F)F)O.Cl","JBWUIPRRVVZMEE-UHFFFAOYSA-N",24198824,NA,"PDBC55698","305779","Present",NA,NA
+"55699","[2,6-Dihydroxy-4-[(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] hydrogen carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,6-Dihydroxy-4-[(1,2,3-trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] hydrogen carbonate",NA,"CSC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)O)O)O)NC(=O)C4=CC(=C(C(=C4)O)OC(=O)O)O","YKBDHLZUOMZRHF-UHFFFAOYSA-N",369940,NA,"PDBC55699","642307","Present",NA,NA
+"55700","[2,6-Dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl] 2,2-dichloroacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,6-dimethoxy-3-(4-methoxy-3,5-dimethyl-benzoyl)phenyl]...",NA,"CC1=CC(=CC(=C1OC)C)C(=O)C2=C(C(=C(C=C2)OC)OC(=O)C(Cl)Cl)OC","XFRXJBCGGFOXSN-UHFFFAOYSA-N",155806042,NA,"PDBC55700","797559","Present",NA,NA
+"55701","[2,6-Dimethoxy-4-[(8-oxo-6,8-dihydro-2H,9H-1,3,5,7-tetraoxadicyclopenta[b,g]naphthalen)-9-yl]phenoxy]acetic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ethyl 2-[2,6-dimethoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenoxy]acetate",NA,"CCOC(=O)COC1=C(C=C(C=C1OC)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC","ZQLPEODKGJVWDK-UHFFFAOYSA-N",382369,NA,"PDBC55701","669888","Present",NA,NA
+"55702","[2,6-Dimethoxy-4-[(Z)-2-(4-methoxyphenyl)ethenyl]phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z) 4-Acetoxy-(3,4',5)-trimethoxystilbene",NA,"CC(=O)OC1=C(C=C(C=C1OC)C=CC2=CC=C(C=C2)OC)OC","GDHFPJWOVNLKQP-WAYWQWQTSA-N",5388769,NA,"PDBC55702","638487","Present",NA,NA
+"55703","[2,6-Dinitro-4-(trifluoromethyl)phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,6-Dinitro-4-(trifluoromethyl)phenyl]urea",NA,"C1=C(C=C(C(=C1[N+](=O)[O-])NC(=O)N)[N+](=O)[O-])C(F)(F)F","ZRRSFIJLNLKKAH-UHFFFAOYSA-N",360498,NA,"PDBC55703","622632","Present",NA,NA
+"55704","[2,7-Dimethyl-7-(trimethylazaniumyl)octan-2-yl]-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,7-Dimethyl-7-(trimethylazaniumyl)octan-2-yl]-trimethylazanium;iodide",NA,"CC(C)(CCCCC(C)(C)[N+](C)(C)C)[N+](C)(C)C.[I-]","SXLCQATYNNYEJL-UHFFFAOYSA-M",377585,NA,"PDBC55704","659152","Present",NA,NA
+"55705","[2-(1-Methoxycarbonyl-ethylcarbamoyl)-phenyl]-phenyliodonium trifloromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(1-Methoxycarbonyl-ethylcarbamoyl)-phenyl]-phenyliodo...",NA,"CC(C(=O)OC)NC(=O)C1=CC=CC=C1I(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F","RMQKJDGAJPUNEV-UHFFFAOYSA-N",24203070,NA,"PDBC55705","726629","Present",NA,NA
+"55706","[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethylamino]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(11H-Indolo[3,2-c]quinolin-6-ylamino)ethylamino]methanol",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=CC=CC=C4N=C3NCCNCO","YJVYYMZSBOGKLS-UHFFFAOYSA-N",24204052,NA,"PDBC55706","730509","Present",NA,NA
+"55707","[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl] 2,6-diaminohexanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-3-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-4-yl] 2,6-diaminohexanoate;hydrochloride",NA,"COC1C(OC(C(C1OC(=O)C(CCCCN)N)O)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O)CO.Cl","OCTLTXXEHGFQSA-UHFFFAOYSA-N",24203046,NA,"PDBC55707","726578","Present",NA,NA
+"55708","[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl] 2,6-diaminohexanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(12,14-Dioxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)-4-hydroxy-6-(hydroxymethyl)-5-methoxyoxan-3-yl] 2,6-diaminohexanoate;hydrochloride",NA,"COC1C(OC(C(C1O)OC(=O)C(CCCCN)N)N2C3=CC=CC=C3C4=C5C(=C6C7=CC=CC=C7NC6=C42)C(=O)NC5=O)CO.Cl","CSNQFLRPIBROIH-UHFFFAOYSA-N",24203044,NA,"PDBC55708","726577","Present",NA,NA
+"55709","[2-(1H-Indol-4-yl)-1H-imidazol-4-yl](3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(1H-indol-4-yl)-1H-imidazol-4-yl)(3,4,5-trimethoxyphe...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C2=CN=C(N2)C3=C4C=CNC4=CC=C3","WDMPGPZDSGODDF-UHFFFAOYSA-N",69038102,NA,"PDBC55709","789794","Present",NA,NA
+"55710","[2-(2,4-Dichlorophenyl)quinazolin-4-yl]diethylamine, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4,N4-diethyl-2-(2,4-dichlorophenyl)-4-quinazolinamine 2...",NA,"CCN(CC)C1=NC(=NC2=CC=CC=C21)C3=C(C=C(C=C3)Cl)Cl.Cl","CWTDGLBSTBSLGG-UHFFFAOYSA-N",18593627,NA,"PDBC55710","727967","Present",NA,NA
+"55711","[2-(2,4-Dinitrophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-3-yl]-(2-furyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(2,4-Dinitrophenyl)-5-(1-hydroxy-2-naphthyl)-3,4-dihydropyrazol-3-yl]-(2-furyl)methanone",NA,"C1C(N(N=C1C2=C(C3=CC=CC=C3C=C2)O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)C5=CC=CO5","NFSSFIIBJDWFOC-UHFFFAOYSA-N",390453,NA,"PDBC55711","687807","Present",NA,NA
+"55712","[2-(2-Amino-6-oxo-1H-purin-9-yl)ethoxy-phenylmethyl]phosphonic acid;azane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(2-Amino-6-oxo-1H-purin-9-yl)ethoxy-phenylmethyl]phosphonic acid;azane",NA,"C1=CC=C(C=C1)C(OCCN2C=NC3=C2N=C(NC3=O)N)P(=O)(O)O.N","XVVQPLNFONLWNQ-UHFFFAOYSA-N",135499350,NA,"PDBC55712","653813","Present",NA,NA
+"55713","[2-(2-Bromopropan-2-yl)-2-hydroxypyrrolidin-1-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(2-Bromopropan-2-yl)-2-hydroxypyrrolidin-1-yl]-phenylmethanone",NA,"CC(C)(C1(CCCN1C(=O)C2=CC=CC=C2)O)Br","SFTAJGVFLUGLSN-UHFFFAOYSA-N",357889,NA,"PDBC55713","617424","Present",NA,NA
+"55714","[2-(2-Oxochromen-3-yl)phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(2-Oxochromen-3-yl)phenyl] acetate",NA,"CC(=O)OC1=CC=CC=C1C2=CC3=CC=CC=C3OC2=O","LFCOKODFFYWILX-UHFFFAOYSA-N",384026,NA,"PDBC55714","673136","Present",NA,NA
+"55715","[2-(3-Chlorophenyl)quinolin-4-yl]-piperidin-2-ylmethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(3-Chlorophenyl)quinolin-4-yl](piperidin-2-yl)methanol",NA,"C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC(=CC=C4)Cl)O","RFNVOGZLEKVTMA-UHFFFAOYSA-N",225126,NA,"PDBC55715","14224","Present",NA,NA
+"55716","[2-(3-Selenocyanatopropylcarbamoyl)phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-selenocyanato-propylcarbamoyl)-phenyl acetate",NA,"CC(=O)OC1=CC=CC=C1C(=O)NCCC[Se]C#N","WENGYHKYFBHMKZ-UHFFFAOYSA-N",155812596,NA,"PDBC55716","803072","Present",NA,NA
+"55717","[2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl](2-naphthyl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)-5-(trifluoromethyl)phenyl](2-naphthyl)methanol",NA,"CC1(COC(=N1)C2=C(C=C(C=C2)C(F)(F)F)C(C3=CC4=CC=CC=C4C=C3)O)C","OCCIVGKBPLIWOQ-UHFFFAOYSA-N",362079,NA,"PDBC55717","625602","Present",NA,NA
+"55718","[2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(4-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone",NA,"CC1=C(C=CC(=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl","PDNJPJWWXOBTHE-UHFFFAOYSA-N",44456760,NA,"PDBC55718","740182","Present",NA,NA
+"55719","[2-(4-Methoxyphenoxy)phenyl]amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624228",NA,"COC1=CC=C(C=C1)OC2=CC=CC=C2N.Cl","SDSGQQIQBAPUTO-UHFFFAOYSA-N",361285,NA,"PDBC55719","624228","Present",NA,NA
+"55720","[2-(4-Methoxyphenyl)quinazolin-4-yl]propylamine, chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N4-propyl-2-(4-methoxyphenyl)-4-quinazolinamine 2-(4-met...",NA,"CCCNC1=NC(=NC2=CC=CC=C21)C3=CC=C(C=C3)OC.Cl","KVJQEUUXIONOEF-UHFFFAOYSA-N",2791338,NA,"PDBC55720","727899","Present",NA,NA
+"55721","[2-(4-Methyl-1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-(4-methyl-1H-indol-3-yl)-1H-imidazol-4-yl)(3,4,5-trim...",NA,"CC1=C2C(=CC=C1)NC=C2C3=NC=C(N3)C(=O)C4=CC(=C(C(=C4)OC)OC)OC","PDOCIQUPMPPJRM-UHFFFAOYSA-N",138454919,NA,"PDBC55721","789795","Present",NA,NA
+"55722","[2-(4-Sulfamoylphenyl)ethylamino] N,N-diethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(4-Sulfamoylphenyl)ethylamino] N,N-diethylcarbamodithioate",NA,"CCN(CC)C(=S)SNCCC1=CC=C(C=C1)S(=O)(=O)N","UKLPMQVFCVWYIA-UHFFFAOYSA-N",394918,NA,"PDBC55722","699011","Present",NA,NA
+"55723","[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone",NA,"CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl","PNBPHTPERICKHM-UHFFFAOYSA-N",44456733,NA,"PDBC55723","740050","Present",NA,NA
+"55724","[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone",NA,"CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F","SKCJLCZAXJYULM-UHFFFAOYSA-N",44456731,NA,"PDBC55724","740181","Present",NA,NA
+"55725","[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(5-Chloro-2-methylanilino)-6-(trifluoromethyl)pyridin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone",NA,"CC1=C(C=C(C=C1)Cl)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)N3CCN(CC3)C4=CC=C(C=C4)OC","VDBNLRDTSVSVFQ-UHFFFAOYSA-N",44456732,NA,"PDBC55725","740052","Present",NA,NA
+"55726","[2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-6-methyl-5-oxo-2H-pyran-4-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-6-methyl-5-oxo-2H-pyran-4-yl] acetate",NA,"CC1C(=O)C(=CC(O1)N2C=C(C(=O)NC2=O)F)OC(=O)C","BJYUGMOTHROEOV-UHFFFAOYSA-N",358202,NA,"PDBC55726","618093","Present",NA,NA
+"55727","[2-(6-Aminopurin-9-yl)-1-phenoxyethoxy]methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(6-Aminopurin-9-yl)-1-phenoxy-ethoxy]methylphosphonic acid",NA,"C1=CC=C(C=C1)OC(CN2C=NC3=C(N=CN=C32)N)OCP(=O)(O)O","SHPUIWGGRSXKHJ-UHFFFAOYSA-N",395614,NA,"PDBC55727","700359","Present",NA,NA
+"55728","[2-(6-Aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]imino-iminoazanium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purin-6-amine, 9-(2-azido-2-deoxy-.beta.-D-arabinofur...",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)N=[N+]=N)N","VDXQOFCIZJOTIP-UHFFFAOYSA-N",6332501,NA,"PDBC55728","350378","Present",NA,NA
+"55729","[2-(Acetonylamino)-4-(acetoxymercurio)-6-chloro-3,5-dimethoxy-phenyl]-acetoxy-mercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Acetonylamino)-4-(acetoxymercurio)-6-chloro-3,5-dimethoxy-phenyl]-acetoxy-mercury",NA,"CC(=O)CNC1=C(C(=C(C(=C1[Hg]OC(=O)C)Cl)OC)[Hg]OC(=O)C)OC","KJOAWFXSHYXYIH-UHFFFAOYSA-L",16683869,NA,"PDBC55729","637198","Present",NA,NA
+"55730","[2-(Benzenecarbonothioyl)-4,6-dimethyl-3,5-diphenyl-phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Benzenecarbonothioyl)-4,6-dimethyl-3,5-diphenyl-phenyl] acetate",NA,"CC1=C(C(=C(C(=C1C2=CC=CC=C2)C(=S)C3=CC=CC=C3)OC(=O)C)C)C4=CC=CC=C4","ANLRMKXCSBVPGW-UHFFFAOYSA-N",363285,NA,"PDBC55730","628080","Present",NA,NA
+"55731","[2-(Benzyloxycarbonylamino)-2-methyl-propanoyl] 2-(benzyloxycarbonylamino)-2-methyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Benzyloxycarbonylamino)-2-methyl-propanoyl] 2-(benzyloxycarbonylamino)-2-methyl-propanoate",NA,"CC(C)(C(=O)OC(=O)C(C)(C)NC(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2","WMDKFTLDWRRKMB-UHFFFAOYSA-N",382258,NA,"PDBC55731","669713","Present",NA,NA
+"55732","[2-(Bromomethyl)-3-hydroxy-2-methylpropyl] 4-amino-3,5-dibromobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Bromomethyl)-3-hydroxy-2-methyl-propyl] 4-amino-3,5-dibromo-benzoate",NA,"CC(CO)(COC(=O)C1=CC(=C(C(=C1)Br)N)Br)CBr","JQCIIGGKNVESGC-UHFFFAOYSA-N",398094,NA,"PDBC55732","707459","Present",NA,NA
+"55733","[2-(Butylcarbamoyloxy)-3-(2-methoxyphenoxy)propyl] N-butylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Butylcarbamoyloxy)-3-(2-methoxyphenoxy)propyl] N-butylcarbamate",NA,"CCCCNC(=O)OCC(COC1=CC=CC=C1OC)OC(=O)NCCCC","NVDHWARUJMVIPG-UHFFFAOYSA-N",367257,NA,"PDBC55733","636805","Present",NA,NA
+"55734","[2-(Carboxymethyl-amino)-6-phenyl-pyrimidin-4-ylamino]-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Carboxymethyl-amino)-6-phenyl-pyrimidin-4-ylamino]-acetic acid",NA,"C1=CC=C(C=C1)C2=CC(=NC(=N2)NCC(=O)O)NCC(=O)O","VAVRGNMIQUKSHJ-UHFFFAOYSA-N",362993,NA,"PDBC55734","627521","Present",NA,NA
+"55735","[2-(Cyanomethyl)-1H-indol-3-yl]methyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Cyanomethyl)-1H-indol-3-yl]methyl-trimethylazanium;iodide",NA,"C[N+](C)(C)CC1=C(NC2=CC=CC=C21)CC#N.[I-]","XFDPGPFYMHAUCV-UHFFFAOYSA-M",372102,NA,"PDBC55735","646977","Present",NA,NA
+"55736","[2-(Diaminomethylideneamino)-3-hydroxy-2-(hydroxymethyl)propyl] (1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-acetyloxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-guanidyl-3-hydroxy-2-(hydroxymethyl)propyl-3Beta -acet...",NA,"CC(C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)C(=O)OCC(CO)(CO)N=C(N)N","PXQFDNQPHRWPMP-UIHVXSLISA-N",155807758,NA,"PDBC55736","803444","Present",NA,NA
+"55737","[2-(Dimethylamino)-4-phenyl-1,3-thiazol-5-yl]-(1H-indol-3-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Dimethylamino-4-phenyl-thiazol-5-yl)-(1h-indol-3-yl)methanone",NA,"CN(C)C1=NC(=C(S1)C(=O)C2=CNC3=CC=CC=C32)C4=CC=CC=C4","PGGUKTASVVXZGV-UHFFFAOYSA-N",399628,NA,"PDBC55737","710537","Present",NA,NA
+"55738","[2-(Dimethylamino)-4-phenyl-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Dimethylamino-4-phenyl-thiazol-5-yl)-(4-methoxyphenyl)methanone",NA,"CN(C)C1=NC(=C(S1)C(=O)C2=CC=C(C=C2)OC)C3=CC=CC=C3","KCCMDZFYGNNSQK-UHFFFAOYSA-N",399625,NA,"PDBC55738","710534","Present",NA,NA
+"55739","[2-(Dimethylamino)-9-(methoxymethyl)-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Dimethylamino)-9-(methoxymethyl)-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate",NA,"CC(=O)OC1=CC2=C(C=C1)N(C3=C2C(=O)OC(=N3)N(C)C)COC","ZHOWCOYSQMLCEL-UHFFFAOYSA-N",384425,NA,"PDBC55739","674202","Present",NA,NA
+"55740","[2-(Furan-2-carbonyl)phenyl]-(furan-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Furan-2-carbonyl)phenyl]-(furan-2-yl)methanone",NA,"C1=CC=C(C(=C1)C(=O)C2=CC=CO2)C(=O)C3=CC=CO3","BARHEOZMPTWDNM-UHFFFAOYSA-N",358263,NA,"PDBC55740","618206","Present",NA,NA
+"55741","[2-(Furan-2-ylmethylamino)phenyl]-[4-[2-phenyl-7-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carbonyl]piperazin-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(2-(furan-2-ylmethylamino)benzoyl)piperazin-1-yl)(2-p...",NA,"COC1=CC(=CC(=C1OC)OC)C2=CC(=NC3=CC(=NN23)C4=CC=CC=C4)C(=O)N5CCN(CC5)C(=O)C6=CC=CC=C6NCC7=CC=CO7","DOIMEWNEZLGWQF-UHFFFAOYSA-N",71466692,NA,"PDBC55741","755289","Present",NA,NA
+"55742","[2-(Hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate",NA,"CCCCCCCCCCCCCC(=O)OC1CC(=O)OC1CO","ZAAPYHDKFLKBSV-UHFFFAOYSA-N",360096,NA,"PDBC55742","621946","Present",NA,NA
+"55743","[2-(Methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Methoxymethyl)-3-(3-quinolin-1-ium-1-ylpropylsulfonylamino)propyl] N-octadecylcarbamate;iodide",NA,"CCCCCCCCCCCCCCCCCCNC(=O)OCC(CNS(=O)(=O)CCC[N+]1=CC=CC2=CC=CC=C21)COC.[I-]","UFNAGERDWFMQCH-UHFFFAOYSA-N",375730,NA,"PDBC55743","655739","Present",NA,NA
+"55744","[2-(Morpholin-4-ylmethyl)phenyl]methyl 3-bromobenzoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Morpholin-4-ylmethyl)phenyl]methyl 3-bromobenzoate;hydrochloride",NA,"C1COCCN1CC2=CC=CC=C2COC(=O)C3=CC(=CC=C3)Br.Cl","UPJYERYVCLVKKF-UHFFFAOYSA-N",24194965,NA,"PDBC55744","175202","Present",NA,NA
+"55745","[2-(Morpholin-4-ylmethyl)phenyl]methyl 4-bromobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Morpholin-4-ylmethyl)phenyl]methyl 4-bromobenzoate",NA,"C1COCCN1CC2=CC=CC=C2COC(=O)C3=CC=C(C=C3)Br","LLPCLDKDKJVBFA-UHFFFAOYSA-N",300500,NA,"PDBC55745","175203","Present",NA,NA
+"55746","[2-(Tert-butyldisulfanyl)-1-methyl-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-(Tert-butyldisulfanyl)-1-methyl-1H-imidazole-4,5-diyl]dimethanediyl bis(methylcarbamate)",NA,"CC(C)(C)SSC1=NC(=C(N1C)COC(=O)NC)COC(=O)NC","JYWQNPPIDJENSS-UHFFFAOYSA-N",361115,NA,"PDBC55746","623925","Present",NA,NA
+"55747","[2-Acetoxy-3-(3,4-dihydroxyphenyl)-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Acetoxy-3-(3,4-dihydroxyphenyl)-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate",NA,"CC(=O)OC1=C(C(=C(C(=C1C2=CC=C(C=C2)O)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C","ZJYMCBIUBPWIGC-UHFFFAOYSA-N",357890,NA,"PDBC55747","617425","Present",NA,NA
+"55748","[2-Acetyloxy-3-(1,3-dithiolan-2-yl)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Acetyloxy-3-(1,3-dithiolan-2-yl)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate",NA,"CC(=O)OC1CCC2C1(CCC3C2CCC4=CC(C(CC34C)OC(=O)C)C5SCCS5)C","DFABLELMPQAIGW-UHFFFAOYSA-N",274824,NA,"PDBC55748","121137","Present",NA,NA
+"55749","[2-Acetyloxy-3-[3,11a-di(butan-2-yl)-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Acetyloxy-3-[3,11a-di(butan-2-yl)-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-4,5-dihydroxy-6-(4-hydroxyphenyl)phenyl] acetate",NA,"CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)O)O)O)C(C)CC)[O-])O","ZRUOGCKQVBXKOD-UHFFFAOYSA-N",404980,NA,"PDBC55749","721620","Present",NA,NA
+"55750","[2-Acetyloxy-4-(hydroxymethyl)phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Acetyloxy-4-(hydroxymethyl)phenyl] acetate",NA,"CC(=O)OC1=C(C=C(C=C1)CO)OC(=O)C","ITZGFBXNXYRFCU-UHFFFAOYSA-N",434729,NA,"PDBC55750","355464","Present",NA,NA
+"55751","[2-Amino-4-(benzyloxy)-5-methoxyphenyl][4-(2-methoxyphenyl)piperazino]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-benzyloxy-5-methoxyphenyl-4-(2-methoxyphenyl)h...",NA,"COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC(=C(C=C3N)OCC4=CC=CC=C4)OC","KAQFQJMDPDDSIF-UHFFFAOYSA-N",24206030,NA,"PDBC55751","737739","Present",NA,NA
+"55752","[2-Amino-4-(benzyloxy)-5-methoxyphenyl][4-(2-pyridyl)piperazino]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-benzyloxy-5-methoxyphenyl-4-(2-pyridyl)hexahyd...",NA,"COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=CC=CC=N3)N)OCC4=CC=CC=C4","NIFBFNPRPBSXEJ-UHFFFAOYSA-N",25014604,NA,"PDBC55752","740388","Present",NA,NA
+"55753","[2-Amino-4-(benzyloxy)-5-methoxyphenyl][4-(2-pyrimidinyl)piperazino]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-4-benzyloxy-5-methoxyphenyl-4-(2-pyrimidinyl)hex...",NA,"COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3)N)OCC4=CC=CC=C4","LNQYAZDIODSUAA-UHFFFAOYSA-N",25014685,NA,"PDBC55753","740389","Present",NA,NA
+"55754","[2-Amino-4-(benzyloxy)-5-methoxyphenyl][4-(4-quinazolinyl)piperazino]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-amino-5-benzyloxy-4-methoxy hexahydro-1-phenyl -4-( 4-...",NA,"COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)C3=NC=NC4=CC=CC=C43)N)OCC5=CC=CC=C5","WOLYEYLHIRKTJK-UHFFFAOYSA-N",24936159,NA,"PDBC55754","742257","Present",NA,NA
+"55755","[2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidin-5-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Amino-4-chloro-6-[[1-(hydroxymethyl)cyclobutyl]methylamino]pyrimidin-5-yl]methanol",NA,"C1CC(C1)(CNC2=C(C(=NC(=N2)N)Cl)CO)CO","ZLYIJMADYJWPRM-UHFFFAOYSA-N",385259,NA,"PDBC55755","676370","Present",NA,NA
+"55756","[2-Azido-1-methyl-5-(methylcarbamoyloxymethyl)imidazol-4-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Methyl-2-azido-4,5-bis(hydroxymethyl)imidazole bis(N-m...",NA,"CNC(=O)OCC1=C(N(C(=N1)N=[N+]=[N-])C)COC(=O)NC","VIKJORKRPAFSOV-UHFFFAOYSA-N",384840,NA,"PDBC55756","675358","Present",NA,NA
+"55757","[2-Benzoyloxy-2-[4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Benzoyloxy-1-[4-(1-hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate",NA,"C1CCC(CC1)(C2CC(OC2=O)C(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O","NLEUDQVBLMCEFF-UHFFFAOYSA-N",390945,NA,"PDBC55757","689198","Present",NA,NA
+"55758","[2-Benzoyloxy-2-[4-[cyclohexyl(hydroxy)methyl]-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Benzoyloxy-1-[4-(cyclohexyl-hydroxy-methyl)-5-oxo-tetrahydrofuran-2-yl]ethyl] benzoate",NA,"C1CCC(CC1)C(C2CC(OC2=O)C(COC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O","ZXXSDMTTYBJLTO-UHFFFAOYSA-N",390932,NA,"PDBC55758","689185","Present",NA,NA
+"55759","[2-Bromo-2-[5-(2-bromopropan-2-yl)-2-methyloxolan-2-yl]ethyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Bromo-2-[5-(2-bromopropan-2-yl)-2-methyltetrahydrofuran-2-yl]ethyl acetate",NA,"CC(=O)OCC(C1(CCC(O1)C(C)(C)Br)C)Br","MFOZEGIDWYEJRE-UHFFFAOYSA-N",382924,NA,"PDBC55759","670801","Present",NA,NA
+"55760","[2-Bromo-4-(phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Bromo-4-(phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate",NA,"CN(C)C(=O)OC1=C(C=C(C=C1)C(=S)NC2=CC=CC=C2)Br","WQSAFVMHZDGAHM-UHFFFAOYSA-N",5471254,NA,"PDBC55760","710007","Present",NA,NA
+"55761","[2-Chloro-1-(chloromethyl)ethyl] 2-diazoacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-diazonio-1-[(1,3-dichloropropan-2-yl)oxy]ethenolate",NA,"C(C(CCl)OC(=O)C=[N+]=[N-])Cl","QXERJPBSSOYPHQ-UHFFFAOYSA-N",386742,NA,"PDBC55761","679283","Present",NA,NA
+"55762","[2-Chloro-4-(2-phenylpyrrolidin-1-yl)phenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC768017",NA,"C1CC(N(C1)C2=CC(=C(C=C2)CO)Cl)C3=CC=CC=C3","OSBBQKYAGFFXHU-UHFFFAOYSA-N",155808510,NA,"PDBC55762","768017","Present",NA,NA
+"55763","[2-Chloro-4-(dipropylamino)phenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761219",NA,"CCCN(CCC)C1=CC(=C(C=C1)CO)Cl","REWBXBYOXLIWLU-UHFFFAOYSA-N",108293645,NA,"PDBC55763","761219","Present",NA,NA
+"55764","[2-Chloro-4-[ethyl-[(4-fluorophenyl)methyl]amino]phenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Chloro-4-((4-fluorobenzyl)(ethyl)amino)phenyl)methanol",NA,"CCN(CC1=CC=C(C=C1)F)C2=CC(=C(C=C2)CO)Cl","MLQWJIOFIWIYFM-UHFFFAOYSA-N",155808123,NA,"PDBC55764","763131","Present",NA,NA
+"55765","[2-Chloro-5-(thiocyanatomethyl)phenyl]methyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Chloro-5-(thiocyanatomethyl)phenyl]methyl thiocyanate",NA,"C1=CC(=C(C=C1CSC#N)CSC#N)Cl","XLWJHNAFCNUFOP-UHFFFAOYSA-N",352645,NA,"PDBC55765","527310","Present",NA,NA
+"55766","[2-Chloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Chloro-6-(trifluoromethyl)phenanthren-9-yl]-piperidin-2-ylmethanol;hydrochloride",NA,"C1CCNC(C1)C(C2=C3C=CC(=CC3=C4C=CC(=CC4=C2)Cl)C(F)(F)F)O.Cl","UEJZXLNBNNILAW-UHFFFAOYSA-N",24198816,NA,"PDBC55766","305766","Present",NA,NA
+"55767","[2-Ethoxy-3-(octadecanoylamino)propyl] dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphate-18-OEt",NA,"CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)O)OCC","WDPLVKQQISOEKQ-UHFFFAOYSA-N",372662,NA,"PDBC55767","648157","Present",NA,NA
+"55768","[2-Heptadecyl-6-(2-methoxyethoxymethoxy)phenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Heptadecyl-6-(2-methoxyethoxymethoxy)phenyl]methanol",NA,"CCCCCCCCCCCCCCCCCC1=C(C(=CC=C1)OCOCCOC)CO","GQJYDZQEZRVOMB-UHFFFAOYSA-N",391581,NA,"PDBC55768","691036","Present",NA,NA
+"55769","[2-Hydroxy-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Hydroxy-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium;iodide",NA,"C[N+](C)(C)CC1CCCC(C1O)C[N+](C)(C)C.[I-]","VABYMYIHURCRJW-UHFFFAOYSA-M",364020,NA,"PDBC55769","629639","Present",NA,NA
+"55770","[2-Hydroxyimino-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Hydroxyimino-3-[(trimethylazaniumyl)methyl]cyclohexyl]methyl-trimethylazanium;iodide",NA,"C[N+](C)(C)CC1CCCC(C1=NO)C[N+](C)(C)C.[I-]","SAGLASOEZOMDBD-UHFFFAOYSA-N",364013,NA,"PDBC55770","629635","Present",NA,NA
+"55771","[2-Hydroxyimino-3-[(trimethylazaniumyl)methyl]cyclopentyl]methyl-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Hydroxyimino-3-[(trimethylazaniumyl)methyl]cyclopentyl]methyl-trimethylazanium;iodide",NA,"C[N+](C)(C)CC1CCC(C1=NO)C[N+](C)(C)C.[I-]","QVOMHTHJWHOOGB-UHFFFAOYSA-N",368971,NA,"PDBC55771","640395","Present",NA,NA
+"55772","[2-Methoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Methoxy-4-(6-oxo-2,5,12,14-tetraoxatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-8-yl)phenyl] acetate",NA,"CC(=O)OC1=C(C=C(C=C1)C2C3=CC4=C(C=C3OC5=C2C(=O)OC5)OCO4)OC","BKHOASBTILGREP-UHFFFAOYSA-N",384852,NA,"PDBC55772","675370","Present",NA,NA
+"55773","[2-Methoxy-4-(methylsulfanyl)phenyl](3-methylpiperidino)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC766602",NA,"CC1CCCN(C1)C(=O)C2=C(C=C(C=C2)SC)OC","JVFMMAIMHHHKEZ-UHFFFAOYSA-N",2890365,NA,"PDBC55773","766602","Present",NA,NA
+"55774","[2-Methoxy-4-[(E)-3-oxobut-1-enyl]phenyl] dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Methoxy-4-[(E)-3-oxobut-1-enyl]phenyl] dihydrogen phosphate",NA,"CC(=O)C=CC1=CC(=C(C=C1)OP(=O)(O)O)OC","UJHLLPOTVSIRQZ-ONEGZZNKSA-N",5467951,NA,"PDBC55774","660670","Present",NA,NA
+"55775","[2-Methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenyl] benzoate",NA,"COC1=C(C=CC(=C1)C=NNC2=CC=CC=C2)OC(=O)C3=CC=CC=C3","BCKBXKGIFZTBHM-JCMHNJIXSA-N",5712309,NA,"PDBC55775","201857","Present",NA,NA
+"55776","[2-Methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]copper; 2-(2-pyridyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Methoxy-6-[(E)-(phenylcarbamothioylhydrazono)methyl]phenoxy]copper; 2-(2-pyridyl)pyridine",NA,NA,NA,NA,NA,"PDBC55776","638307","Present",NA,NA
+"55777","[2-Methoxy-6-methyl-3-(4-methylphenyl)sulfonyloxy-5-phenylmethoxyoxan-4-yl] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Methoxy-6-methyl-3-(4-methylphenyl)sulfonyloxy-5-phenylmethoxyoxan-4-yl] 4-methylbenzenesulfonate",NA,"CC1C(C(C(C(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)OCC4=CC=CC=C4","VTEZMKMLIJUBQW-UHFFFAOYSA-N",359618,NA,"PDBC55777","620677","Present",NA,NA
+"55778","[2-Methyl-1-(2-morpholin-4-ylethyl)indol-3-yl]-(6-methylnaphthalen-1-yl)methanone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Methyl-1-(2-morpholinoethyl)indol-3-yl]-(6-methyl-1-naphthyl)methanone hydrochloride",NA,"CC1=CC2=C(C=C1)C(=CC=C2)C(=O)C3=C(N(C4=CC=CC=C43)CCN5CCOCC5)C.Cl","ZMSLFQFOUJNMDI-UHFFFAOYSA-N",399882,NA,"PDBC55778","711021","Present",NA,NA
+"55779","[2-Methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Methyl-3-(phenylmethoxymethyl)oxiran-2-yl]methanol",NA,"CC1(C(O1)COCC2=CC=CC=C2)CO","VNHSMMYENUVHEL-UHFFFAOYSA-N",359259,NA,"PDBC55779","619975","Present",NA,NA
+"55780","[2-Octadecanoyloxy-3-[3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxypropyl] octadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Octadecanoyloxy-3-[3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl]oxypropyl] octadecanoate",NA,"CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1)COP(=O)(O)O)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC","JWRRVIFXCMSXOD-UHFFFAOYSA-N",360773,NA,"PDBC55780","623122","Present",NA,NA
+"55781","[2-Oxo-2-(4-phenylphenyl)ethyl] 2-methylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Oxo-2-(4-phenylphenyl)ethyl] 2-methylbutanoate",NA,"CCC(C)C(=O)OCC(=O)C1=CC=C(C=C1)C2=CC=CC=C2","AAELEXHXAJIHRT-UHFFFAOYSA-N",347356,NA,"PDBC55781","405995","Present",NA,NA
+"55782","[2-Sulfanylidene-3-(3,4,5-trimethoxybenzoyl)imidazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-Thioxo-3-(3,4,5-trimethoxybenzoyl)imidazolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)N2CCN(C2=S)C(=O)C3=CC(=C(C(=C3)OC)OC)OC","AYIIRPZKKRWVJM-UHFFFAOYSA-N",396753,NA,"PDBC55782","703463","Present",NA,NA
+"55783","[2-Sulfanylidene-3-(thiophene-2-carbonyl)imidazolidin-1-yl]-thiophen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Thienyl-[3-(thiophene-2-carbonyl)-2-thioxo-imidazolidin-1-yl]methanone",NA,"C1CN(C(=S)N1C(=O)C2=CC=CS2)C(=O)C3=CC=CS3","RLPHRVNQGMNXAS-UHFFFAOYSA-N",396758,NA,"PDBC55783","703468","Present",NA,NA
+"55784","[2-[(1,5-Dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl] 4-benzylpiperazine-1-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate",NA,"CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4","YBERZWDLPZNKTJ-UHFFFAOYSA-N",389294,NA,"PDBC55784","685113","Present",NA,NA
+"55785","[2-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-Hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]-2-oxoethyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(1R,2S,4R,8S,9S,12S,13R,16S)-16-Hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-en-8-yl]-2-oxoethyl] acetate",NA,"CC(=O)OCC(=O)C12C(CC3C1(CCC4C3CC=C5C4(CCC(C5)O)C)C)OC(O2)(C)C","ZGSRADNVNCTCOP-IFIMTULTSA-N",247516,NA,"PDBC55785","62349","Present",NA,NA
+"55786","[2-[(1S,2R,13S,14S,16R,17R,18S,20S)-7-(4-Fluorophenyl)-17,20-dihydroxy-2,11,16,18-tetramethyl-6,7-diazapentacyclo[11.7.0.02,10.04,8.014,18]icosa-4(8),5,9,11-tetraen-17-yl]-2-oxoethyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Ketone, 7-(p-fluorophenyl)-1,2,3,3a,3b,7,10,10a,10b,11,1...",NA,"CC1CC2C3C=C(C4=CC5=C(CC4(C3C(CC2(C1(C(=O)COC(=O)C)O)C)O)C)C=NN5C6=CC=C(C=C6)F)C","KJNKUWPHEOSYKL-YKODMQRZSA-N",255700,NA,"PDBC55786","81403","Present",NA,NA
+"55787","[2-[(1Z,4Z,9Z,15Z)-10,15,20-Tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[10,15,20-Tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine",NA,"C1=CC=C(C(=C1)CN)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=CC=C7CN)C8=CC=CC=C8CN)C=C4)C9=CC=CC=C9CN)N3","PVCWQURBGYAGRF-UHFFFAOYSA-N",135409013,NA,"PDBC55787","653141","Present",NA,NA
+"55788","[2-[(2,6-Diaminopurin-9-yl)methyl]phenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{2-[(2,6-Diamino-9h-purin-9-yl)methyl]phenyl}methanol",NA,"C1=CC=C(C(=C1)CN2C=NC3=C(N=C(N=C32)N)N)CO","LKBKYLQJCOOSQV-UHFFFAOYSA-N",405764,NA,"PDBC55788","723385","Present",NA,NA
+"55789","[2-[(2E)-2-[(E)-1-[2-(2-Acetylhydrazino)-4-methyl-thiazol-5-yl]-3-(4-chlorophenyl)prop-2-enylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2E)-2-[(E)-1-[2-(2-Acetylhydrazinyl)-4-methyl-1,3-thiazol-5-yl]-3-(4-chlorophenyl)prop-2-enylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"CC1=C(SC(=N1)NNC(=O)C)C(=NNC(=O)C[N+](C)(C)C)C=CC2=CC=C(C=C2)Cl.[Cl-]","FSRAWEYBAJPGBG-YGCVIUNWSA-N",135483958,NA,"PDBC55789","647083","Present",NA,NA
+"55790","[2-[(2E)-2-[2-[(2-Cyano-4-nitroso-phenyl)carbamoyl]-7-hydroxy-chromen-4-ylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2E)-2-[2-[(2-Cyano-4-nitrosophenyl)carbamoyl]-7-hydroxychromen-4-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"C[N+](C)(C)CC(=O)NN=C1C=C(OC2=C1C=CC(=C2)O)C(=O)NC3=C(C=C(C=C3)N=O)C#N.[Cl-]","IWQQALQFSSTWJF-UHFFFAOYSA-N",135483960,NA,"PDBC55790","647113","Present",NA,NA
+"55791","[2-[(2Z)-2-[1-[(3-Chloro-1,4-dioxo-2-naphthyl)carbamoyl]-2-cyano-2-[4-(4-nitrophenyl)thiazol-2-yl]ethylidene]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propanamide, N-(2-chloro-1,4-dioxo-3-naphthalenyl)-3-cya...",NA,"C[N+](C)(C)CC(=O)NN=C(C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl.[Cl-]","YXKZPPBTPDQPQW-UHFFFAOYSA-N",9574385,NA,"PDBC55791","642061","Present",NA,NA
+"55792","[2-[(2Z)-2-[1-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]-3-cyano-3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(2Z)-2-[1-[(3-Chloro-1,4-dioxonaphthalen-2-yl)amino]-3-cyano-3-[2-(4-nitrophenyl)-1,3-thiazol-4-yl]-1-oxopropan-2-ylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"C[N+](C)(C)CC(=O)NN=C(C(C#N)C1=CSC(=N1)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C(=O)C4=CC=CC=C4C3=O)Cl.[Cl-]","OLWHRBKNDYZXNU-UHFFFAOYSA-N",16721159,NA,"PDBC55792","646793","Present",NA,NA
+"55793","[2-[(4-Chloro-2-methylphenyl)carbamoylamino]-2-methylpropyl] N-(3-chlorophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(4-Chloro-2-methylphenyl)carbamoylamino]-2-methylpropyl] N-(3-chlorophenyl)carbamate",NA,"CC1=C(C=CC(=C1)Cl)NC(=O)NC(C)(C)COC(=O)NC2=CC(=CC=C2)Cl","MGNFKTGRQZWELS-UHFFFAOYSA-N",341374,NA,"PDBC55793","373300","Present",NA,NA
+"55794","[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 4-benzylpiperazine-1-carbodithioate",NA,"CC1=CC2=C(C=C1)N=C(S2)NC(=O)CSC(=S)N3CCN(CC3)CC4=CC=CC=C4","YQNXQGOKCYCJOD-UHFFFAOYSA-N",60147855,NA,"PDBC55794","752678","Present",NA,NA
+"55795","[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] cyclopentanecarboxylate",NA,"CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)C5CCCC5)O)C)O","RXDVZAPLJRNAQU-KJKDQFDUSA-N",226609,NA,"PDBC55795","17245","Present",NA,NA
+"55796","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-chloro-platinum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-chloro-platinum",NA,NA,NA,NA,NA,"PDBC55796","638284","Present",NA,NA
+"55797","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-cobalt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-cobalt",NA,NA,NA,NA,NA,"PDBC55797","638275","Present",NA,NA
+"55798","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper",NA,NA,NA,NA,NA,"PDBC55798","638279","Present",NA,NA
+"55799","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper; 2-(2-pyridyl)pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-copper; 2-(2-pyridyl)pyridine",NA,NA,NA,NA,NA,"PDBC55799","638302","Present",NA,NA
+"55800","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel",NA,NA,NA,NA,NA,"PDBC55800","638277","Present",NA,NA
+"55801","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel; 1,10-phenanthroline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-nickel; 1,10-phenanthroline",NA,NA,NA,NA,NA,"PDBC55801","638300","Present",NA,NA
+"55802","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-palladium; pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-palladium; pyridine",NA,NA,NA,NA,NA,"PDBC55802","638294","Present",NA,NA
+"55803","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-zinc",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]-hydroxy-zinc",NA,NA,NA,NA,NA,"PDBC55803","638280","Present",NA,NA
+"55804","[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]copper; pyridine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(E)-(Carbamothioylhydrazono)methyl]-6-methoxy-phenoxy]copper; pyridine",NA,NA,NA,NA,NA,"PDBC55804","638287","Present",NA,NA
+"55805","[2-[(E)-2-(Furan-3-yl)ethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[(E)-2-(Furan-3-yl)ethenyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-3-yl]methanol",NA,"C1CC2C(C(ON2C1)C=CC3=COC=C3)CO","WSCBDIITFNPYBC-ONEGZZNKSA-N",5387273,NA,"PDBC55805","622347","Present",NA,NA
+"55806","[2-[1,4-Dioxaspiro[4.5]dec-8-ene-8-carbonyl(methyl)amino]phenyl] trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[1,4-Dioxaspiro[4.5]dec-8-ene-8-carbonyl(methyl)amino]phenyl] trifluoromethanesulfonate",NA,"CN(C1=CC=CC=C1OS(=O)(=O)C(F)(F)F)C(=O)C2=CCC3(CC2)OCCO3","GFUKDNYOSHKBPG-UHFFFAOYSA-N",393186,NA,"PDBC55806","694674","Present",NA,NA
+"55807","[2-[1-(6-Benzyl-5-methyl-2,4-dioxo-pyrimidin-1-yl)ethoxy]ethyl-phenoxycarbonyl-amino] phenyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[1-(6-Benzyl-5-methyl-2,4-dioxopyrimidin-1-yl)ethoxy]ethyl-phenoxycarbonylamino] phenyl carbonate",NA,"CC1=C(N(C(=O)NC1=O)C(C)OCCN(C(=O)OC2=CC=CC=C2)OC(=O)OC3=CC=CC=C3)CC4=CC=CC=C4","SZHWNXZOOPAZMP-UHFFFAOYSA-N",392545,NA,"PDBC55807","693088","Present",NA,NA
+"55808","[2-[2,5-Bis(aziridin-1-yl)-4-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl]-2-methoxyethyl] 4-formylpiperazine-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-Piperazinecarboxylic acid, 4-formyl-, 2-[2,5-bis(1-azi...",NA,"CC1=C(C(=O)C(=C(C1=O)N2CC2)C(COC(=O)N3CCN(CC3)C=O)OC)N4CC4","OPZPXFXYAFEBOV-UHFFFAOYSA-N",338440,NA,"PDBC55808","360702","Present",NA,NA
+"55809","[2-[2-(Methylcarbamoyloxy)-4-propan-2-ylphenyl]sulfanyl-5-propan-2-ylphenyl] N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[2-(Methylcarbamoyloxy)-4-propan-2-ylphenyl]sulfanyl-5-propan-2-ylphenyl] N-methylcarbamate",NA,"CC(C)C1=CC(=C(C=C1)SC2=C(C=C(C=C2)C(C)C)OC(=O)NC)OC(=O)NC","KUTLSGIKXCDJQK-UHFFFAOYSA-N",412419,NA,"PDBC55809","39631","Present",NA,NA
+"55810","[2-[2-[2,6-Dimethyl-5-[[[2-(trimethylammonio)acetyl]amino]carbamoyl]-1,4-dihydropyridine-3-carbonyl]hydrazino]-2-oxo-ethyl]-trimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[2-[2,6-Dimethyl-5-[[[2-(trimethylazaniumyl)acetyl]amino]carbamoyl]-1,4-dihydropyridine-3-carbonyl]hydrazinyl]-2-oxoethyl]-trimethylazanium;chloride",NA,"CC1=C(CC(=C(N1)C)C(=O)NNC(=O)C[N+](C)(C)C)C(=O)NNC(=O)C[N+](C)(C)C.[Cl-]","VZWQPOHFPITTGV-UHFFFAOYSA-O",457988,NA,"PDBC55810","657661","Present",NA,NA
+"55811","[2-[2-[5-(4-Aminophenyl)-1,3,4-oxadiazol-2-yl]-3,4,5,6-tetrachlorophenyl]-3H-benzimidazol-5-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[2-[5-(4-Aminophenyl)-1,3,4-oxadiazol-2-yl]-3,4,5,6-tetrachlorophenyl]-3H-benzimidazol-5-yl]-phenylmethanone",NA,"C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)C4=C(C(=C(C(=C4Cl)Cl)Cl)Cl)C5=NN=C(O5)C6=CC=C(C=C6)N","ZLDPUEAVRGIDJJ-UHFFFAOYSA-N",402242,NA,"PDBC55811","716133","Present",NA,NA
+"55812","[2-[3-(3-Nitrophenyl)prop-2-enoyl]phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[3-(3-Nitrophenyl)prop-2-enoyl]phenyl] acetate",NA,"CC(=O)OC1=CC=CC=C1C(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]","KHTNQYZKWWXHER-MDZDMXLPSA-N",5357245,NA,"PDBC55812","73612","Present",NA,NA
+"55813","[2-[4-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[4-(Dimethylsulfamoyl)anilino]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate",NA,"CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3","BJYTYMSJKWBAPM-UHFFFAOYSA-N",4853652,NA,"PDBC55813","743405","Present",NA,NA
+"55814","[2-[Bis(1,4-dihydroxy-9,10-dioxo-2-anthryl)methyl]-4,5-dihydroxy-tetrahydrofuran-3-yl] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[Bis(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]-4,5-dihydroxyoxolan-3-yl] 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC2C(C3=CC(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)C6=CC(=C7C(=C6O)C(=O)C8=CC=CC=C8C7=O)O)O)O","XLTVPIQCSHNKCJ-UHFFFAOYSA-N",378632,NA,"PDBC55814","661424","Present",NA,NA
+"55815","[2-[Bis(2,2,2-trichloroethoxy)phosphoryloxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[Bis(2,2,2-trichloroethoxy)phosphoryloxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] butanoate",NA,"CCCC(=O)OC1CC(OC1COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)N2C=C(C(=O)NC2=O)F","MVHMLFUBYIRNJA-UHFFFAOYSA-N",382830,NA,"PDBC55815","670654","Present",NA,NA
+"55816","[2-[[(4-Acetamido-2-ethoxybenzoyl)amino]carbamoyl]phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(2-{[4-(Acetylamino)-2-ethoxyphenyl]carbonyl}hydrazino)carbonyl]phenyl acetate",NA,"CCOC1=C(C=CC(=C1)NC(=O)C)C(=O)NNC(=O)C2=CC=CC=C2OC(=O)C","RZOGGGZUALLDHU-UHFFFAOYSA-N",402303,NA,"PDBC55816","716194","Present",NA,NA
+"55817","[2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-3,5-dihydroxyoxan-4-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-3,5-dihydroxyoxan-4-yl] acetate",NA,"CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(CO4)O)OC(=O)C)O)C)C=C(C)C)C","LIGCKFITVVCGPV-UAJMXEJBSA-N",24203402,NA,"PDBC55817","727911","Present",NA,NA
+"55818","[2-[[2-(Tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetyl]-[[[2-[[2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)propanoyl]amino]acetyl]amino]methyl]-methylene-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methylidene-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]acetyl]-[[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoyl]amino]acetyl]amino]methy",NA,"CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)NCC(=O)NC[N+](=C)C(=O)CNC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OC(C)(C)C","IFJSDRFMXQTEAV-UHFFFAOYSA-O",382250,NA,"PDBC55818","669705","Present",NA,NA
+"55819","[2-[[2-(Tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]acetyl]-[[[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]acetyl]amino]methyl]-methylene-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methylidene-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetyl]-[[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]acetyl]amino]methyl]azanium",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)NC[N+](=C)C(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C","AWPJXYWCJKIYII-UHFFFAOYSA-O",382251,NA,"PDBC55819","669706","Present",NA,NA
+"55820","[2-[[3-(2-Acetyloxybenzoyl)-1,3-selenazinan-2-ylidene]carbamoyl]phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[3-(2-acetoxy-benzoyl)-[1,3]selenazinan-2-ylidenecarba...",NA,"CC(=O)OC1=CC=CC=C1C(=O)N=C2N(CCC[Se]2)C(=O)C3=CC=CC=C3OC(=O)C","LVFTWKIJUSEIGE-UHFFFAOYSA-N",155812591,NA,"PDBC55820","803070","Present",NA,NA
+"55821","[2-[[6-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-(4-nitrophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[[6-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-(4-nitrophenyl)carbama",NA,"CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C(CO)O)OC(O4)(C)C)OC(=O)NC5=CC=C(C=C5)[N+](=O)[O-])OC(O2)(C)C","XBEGQJXSHUSJEG-UHFFFAOYSA-N",45028438,NA,"PDBC55821","742852","Present",NA,NA
+"55822","[2-[[6-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[[6-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]-1-(6-dodecoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethyl] N-phenylcarbamate",NA,"CCCCCCCCCCCCOC1C2C(OC1C(COC3C4C(C(O3)C(CO)O)OC(O4)(C)C)OC(=O)NC5=CC=CC=C5)OC(O2)(C)C","PEGIQNOKUZXIKK-UHFFFAOYSA-N",45028437,NA,"PDBC55822","742851","Present",NA,NA
+"55823","[2-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-3-yl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OC3CC(OC3COP(=O)(O)OCC4C(C(C(O4)N5C=CC(=NC5=O)N)O)O)N6C=C(C(=O)NC6=O)F)O)O","CDDPETFTMOUCSR-UHFFFAOYSA-N",398532,NA,"PDBC55823","708447","Present",NA,NA
+"55824","[20-(16-Acetyloxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(12),18-diene-6,2'-oxane]-20-yl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(12),18-diene-6,2'-oxane]-16-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[20-(16-Acetyloxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(12),18-diene-6,2'-oxane]-20-yl)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-1(",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5=C4C(C=C6C5(CCC(C6)OC(=O)C)C)C7C=C8CC(CCC8(C9=C7C2CC3C(C2(CC9)C)C(C2(O3)CCC(CO2)C)C)C)OC(=O)C)C)C)OC1","JAEVYKDIHOIUBG-UHFFFAOYSA-N",261359,NA,"PDBC55824","93352","Present",NA,NA
+"55825","[3,3'-Bi-5H-imidazo[2,1-c]-1,2,4-triazole]-5,5'-dione, 6,6'-bis(2-cyclopropyl-2-oxoethyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,3'-Bi-5H-imidazo[2,1-c]-1,2,4-triazole]-5,5'-dione, 6,6'-bis(2-cyclopropyl-2-oxoethyl)-",NA,"C1CC1C(=O)CC2=NC3=NN=C(N3C2=O)C4=NN=C5N4C(=O)C(=N5)CC(=O)C6CC6","PMGKQCNQRFUNSS-UHFFFAOYSA-N",362244,NA,"PDBC55825","625848","Present",NA,NA
+"55826","[3,3'-Bipyridine]-4,4'-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SC-69920",NA,"C1=CNC=C(C1=O)C2=CNC=CC2=O","CYUVDMSKOCUYRV-UHFFFAOYSA-N",363600,NA,"PDBC55826","628595","Present",NA,NA
+"55827","[3,4,5-Triacetoxy-6-(2,4-dioxo-3-phenyl-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetoxy-6-(2,4-dioxo-3-phenyl-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)N(C2=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","SDFPPFRHBARRBF-UHFFFAOYSA-N",368635,NA,"PDBC55827","639748","Present",NA,NA
+"55828","[3,4,5-Triacetoxy-6-(2,4-dioxopyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetoxy-6-(2,4-dioxopyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C=CC(=O)NC2=O)OC(=O)C)OC(=O)C)OC(=O)C","UALIWFYMJMVXDB-UHFFFAOYSA-N",373957,NA,"PDBC55828","650989","Present",NA,NA
+"55829","[3,4,5-Triacetoxy-6-(2-amino-3,5-dicyano-4-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine-3,5-dicarbonitrile, 6-amino- 1-(.beta.-D-glucop...",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N)OC(=O)C)OC(=O)C)OC(=O)C","JGVIYIYNZNGBRS-UHFFFAOYSA-N",3005161,NA,"PDBC55829","678063","Present",NA,NA
+"55830","[3,4,5-Triacetoxy-6-(3-cyano-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(3-cyano-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCCCC3)C=C(C2=O)C#N)OC(=O)C)OC(=O)C)OC(=O)C","MWZNBBRIPGBTNR-UHFFFAOYSA-N",385434,NA,"PDBC55830","676615","Present",NA,NA
+"55831","[3,4,5-Triacetoxy-6-(3-cyano-2-thioxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(3-cyano-2-sulfanylidene-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCCCC3)C=C(C2=S)C#N)OC(=O)C)OC(=O)C)OC(=O)C","XWZKHPDPRLNVIU-UHFFFAOYSA-N",385433,NA,"PDBC55831","676613","Present",NA,NA
+"55832","[3,4,5-Triacetoxy-6-(3-cyano-2-thioxo-5,6,7,8-tetrahydroquinolin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676610///NSC676614",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C=C(C2=S)C#N)OC(=O)C)OC(=O)C)OC(=O)C","WAAMLROLJKIBIZ-UHFFFAOYSA-N",385430,NA,"PDBC55832","676610///676614","Present",NA,NA
+"55833","[3,4,5-Triacetoxy-6-(3-cyano-2-thioxo-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(3-cyano-2-sulfanylidene-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCCC3)C=C(C2=S)C#N)OC(=O)C)OC(=O)C)OC(=O)C","HXMIHEPUGIHUHJ-UHFFFAOYSA-N",385431,NA,"PDBC55833","676611","Present",NA,NA
+"55834","[3,4,5-Triacetoxy-6-(3-cyano-2-thioxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(3-cyano-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC3)C=C(C2=S)C#N)OC(=O)C)OC(=O)C)OC(=O)C","XZBKWPMVJDJJJR-UHFFFAOYSA-N",385432,NA,"PDBC55834","676612","Present",NA,NA
+"55835","[3,4,5-Triacetoxy-6-(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetoxy-6-(3-cyano-4,6-dimethyl-2-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate",NA,"CC1=CC(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C","ZEHHTKORCZQSBE-UHFFFAOYSA-N",385421,NA,"PDBC55835","676601","Present",NA,NA
+"55836","[3,4,5-Triacetoxy-6-(3-cyano-4,6-diphenyl-2-sulfanyl-4H-pyridin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(3-cyano-4,6-diphenyl-2-sulfanyl-4H-pyridin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","PLBVEELNKWFCIC-UHFFFAOYSA-N",385420,NA,"PDBC55836","676600","Present",NA,NA
+"55837","[3,4,5-Triacetoxy-6-(3-phenyl-2,4-dithioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639737///NSC639741",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=S)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","WPXHXTJSLVFUDS-UHFFFAOYSA-N",368629,NA,"PDBC55837","639737///639741","Present",NA,NA
+"55838","[3,4,5-Triacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639732///NSC639738",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","BZILQTWEGVOAIP-UHFFFAOYSA-N",368624,NA,"PDBC55838","639732///639738","Present",NA,NA
+"55839","[3,4,5-Triacetoxy-6-(4-oxothiazol-2-yl)sulfanyl-tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678082///NSC678083",NA,"CC(=O)OCC1C(C(C(C(O1)SC2=NC(=O)CS2)OC(=O)C)OC(=O)C)OC(=O)C","VBCOZGGZAXMRCW-UHFFFAOYSA-N",386311,NA,"PDBC55839","678082///678083","Present",NA,NA
+"55840","[3,4,5-Triacetoxy-6-(5-bromo-4-methyl-2-methylsulfanyl-6-oxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656253///NSC656258",NA,"CC1=C(C(=O)N(C(=N1)SC)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)Br","YQCITFGBXXKSJR-UHFFFAOYSA-N",375918,NA,"PDBC55840","656253///656258","Present",NA,NA
+"55841","[3,4,5-Triacetoxy-6-(5-cyano-2,3-dimethyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678051///NSC678056",NA,"CC1=C(N(C(=S)C(=C1)C#N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","XIHHPZAYTJWNPJ-UHFFFAOYSA-N",386293,NA,"PDBC55841","678051///678056","Present",NA,NA
+"55842","[3,4,5-Triacetoxy-6-(5-cyano-2-methylsulfanyl-4-oxo-6-phenyl-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(5-cyano-2-methylsulfanyl-4-oxo-6-phenylpyrimidin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=O)N=C2SC)C#N)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C","NOWIVCLIYASHAV-UHFFFAOYSA-N",377433,NA,"PDBC55842","658882","Present",NA,NA
+"55843","[3,4,5-Triacetoxy-6-(5-cyano-3-ethyl-2,4-dimethyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667540///NSC667542",NA,"CCC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","GINFPTWSKPUPFL-UHFFFAOYSA-N",381207,NA,"PDBC55843","667540///667542","Present",NA,NA
+"55844","[3,4,5-Triacetoxy-6-(5-cyano-3-ethyl-4-methyl-2-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(5-cyano-3-ethyl-4-methyl-2-phenyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate",NA,"CCC1=C(N(C(=S)C(=C1C)C#N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C3=CC=CC=C3","JSKLVBDEGWHGLG-UHFFFAOYSA-N",381205,NA,"PDBC55844","667537","Present",NA,NA
+"55845","[3,4,5-Triacetoxy-6-(5-nitro-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetoxy-6-(5-nitro-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C","ZXCJLGKKILPOCK-UHFFFAOYSA-N",373959,NA,"PDBC55845","650991","Present",NA,NA
+"55846","[3,4,5-Triacetoxy-6-(6,8-dibromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639734///NSC639740",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(C=C(C=C3Br)Br)C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","HMCZWFGGBJNHJT-UHFFFAOYSA-N",368626,NA,"PDBC55846","639734///639740","Present",NA,NA
+"55847","[3,4,5-Triacetoxy-6-(6-bromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639733///NSC639739",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(C=C(C=C3)Br)C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","NAFNBMWGTHRZGT-UHFFFAOYSA-N",368625,NA,"PDBC55847","639733///639739","Present",NA,NA
+"55848","[3,4,5-Triacetoxy-6-(6-hydroxyhexoxy)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetoxy-6-(6-hydroxyhexoxy)tetrahydropyran-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)OCCCCCCO)OC(=O)C)OC(=O)C)OC(=O)C","YMQPDZJLWURWGM-UHFFFAOYSA-N",393716,NA,"PDBC55848","696234","Present",NA,NA
+"55849","[3,4,5-Triacetoxy-6-[(2,4-dioxo-1H-quinazolin-3-yl)amino]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetoxy-6-[(2,4-dioxo-1H-quinazolin-3-yl)amino]tetrahydropyran-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)NN2C(=O)C3=CC=CC=C3NC2=O)OC(=O)C)OC(=O)C)OC(=O)C","CJKNCUBLVUSAJM-UHFFFAOYSA-N",391604,NA,"PDBC55849","691088","Present",NA,NA
+"55850","[3,4,5-Triacetoxy-6-[(2-methoxy-1-methyl-6-oxo-5-propanoyl-pyrimidin-4-yl)amino]oxy-tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(2-methoxy-1-methyl-6-oxo-5-propanoylpyrimidin-4-yl)amino]oxyoxan-2-yl]methyl acetate",NA,"CCC(=O)C1=C(N=C(N(C1=O)C)OC)NOC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","QKXJFHMZKBLHFQ-UHFFFAOYSA-N",364476,NA,"PDBC55850","630808","Present",NA,NA
+"55851","[3,4,5-Triacetoxy-6-[(2-methylsulfanyl-5-oxo-furo[2,3-d]pyrimidin-4-yl)amino]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(2-methylsulfanyl-5-oxofuro[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)NC2=C3C(=O)COC3=NC(=N2)SC)OC(=O)C)OC(=O)C)OC(=O)C","JGDSZHKZMDPVTA-UHFFFAOYSA-N",371470,NA,"PDBC55851","645743","Present",NA,NA
+"55852","[3,4,5-Triacetoxy-6-[(4-oxo-2-phenyl-quinazolin-3-yl)carbamothioylamino]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(4-oxo-2-phenylquinazolin-3-yl)carbamothioylamino]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)NC(=S)NN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","MYCBSHHOAFSLCK-UHFFFAOYSA-N",3005328,NA,"PDBC55852","691090","Present",NA,NA
+"55853","[3,4,5-Triacetoxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl)amino]oxy-tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxopyrimidin-4-yl)amino]oxyoxan-2-yl]methyl acetate",NA,"CCCC(=O)C1=C(N=C(N(C1=O)C)OC)NOC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","VJIFLAWTZIQOLB-UHFFFAOYSA-N",364478,NA,"PDBC55853","630810","Present",NA,NA
+"55854","[3,4,5-Triacetoxy-6-[1-cyano-4-(2-thienyl)-2-thioxo-5,6-dihydrobenzo[f]isoquinolin-3-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(1-cyano-2-sulfanylidene-4-thiophen-2-yl-5,6-dihydrobenzo[f]isoquinolin-3-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=C3CCC4=CC=CC=C4C3=C(C2=S)C#N)C5=CC=CS5)OC(=O)C)OC(=O)C)OC(=O)C","RXGHYFCGJKFNMH-UHFFFAOYSA-N",386291,NA,"PDBC55854","678049","Present",NA,NA
+"55855","[3,4,5-Triacetoxy-6-[2-amino-3,5-dicyano-4-(4-methoxyphenyl)-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678065///NSC678066",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC=C(C=C3)OC)C#N)N)OC(=O)C)OC(=O)C)OC(=O)C","FDFMLBCOUKQNGT-UHFFFAOYSA-N",3005863,NA,"PDBC55855","678065///678066","Present",NA,NA
+"55856","[3,4,5-Triacetoxy-6-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,3,4,6-Tetra-O-acetylhexopyranosyl 2,3,4,6-tetra-O-acetyl-1-thiohexopyranoside",NA,"CC(=O)OCC1C(C(C(C(O1)SC2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","VJUMXLNMLSEYRN-UHFFFAOYSA-N",377195,NA,"PDBC55856","658422","Present",NA,NA
+"55857","[3,4,5-Triacetoxy-6-[3,5-dicyano-2-hydroxy-4-(4-methoxyphenyl)-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678088///NSC678090",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)OC)C#N)S)OC(=O)C)OC(=O)C)OC(=O)C","JXMYHHAVKYSJKE-UHFFFAOYSA-N",386316,NA,"PDBC55857","678088///678090","Present",NA,NA
+"55858","[3,4,5-Triacetoxy-6-[3-(4-nitrophenyl)-4-oxo-2-thioxo-quinazolin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-(4-nitrophenyl)-4-oxo-2-sulfanylidenequinazolin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C","IMCLVZVYNASLMC-UHFFFAOYSA-N",368628,NA,"PDBC55858","639736","Present",NA,NA
+"55859","[3,4,5-Triacetoxy-6-[3-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylpropanethioylamino]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanethioylamino]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)NC(=S)CCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","FXIVWWXOEDQWKQ-UHFFFAOYSA-N",3005330,NA,"PDBC55859","691094","Present",NA,NA
+"55860","[3,4,5-Triacetoxy-6-[3-[(E)-(4-chlorophenyl)azo]-5-cyano-2,4-dimethyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-[(4-chlorophenyl)diazenyl]-5-cyano-2,4-dimethyl-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)Cl)C)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","HWYDUVYOBCHLGP-UHFFFAOYSA-N",381289,NA,"PDBC55860","667725","Present",NA,NA
+"55861","[3,4,5-Triacetoxy-6-[3-[(E)-(4-chlorophenyl)azo]-5-cyano-4-methyl-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667729///NSC667730",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)Cl)C3=CC=CC=C3)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","GJARVTKOPNEYGW-UHFFFAOYSA-N",381293,NA,"PDBC55861","667729///667730","Present",NA,NA
+"55862","[3,4,5-Triacetoxy-6-[3-acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[3-Acetyl-4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate",NA,"CC1=C(C(C(=C(N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S)C#N)C3=CC=C(C=C3)Cl)C(=O)C","LGOAJNOJGAAEKS-UHFFFAOYSA-N",385423,NA,"PDBC55862","676603","Present",NA,NA
+"55863","[3,4,5-Triacetoxy-6-[3-acetyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[3-Acetyl-4-(4-chlorophenyl)-5-cyano-2-phenyl-6-sulfanylidenepyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate",NA,"CC(=O)C1=C(N(C(=S)C(=C1C2=CC=C(C=C2)Cl)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","VYOCBGNYQDEVBJ-UHFFFAOYSA-N",381220,NA,"PDBC55863","667557","Present",NA,NA
+"55864","[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(1-naphthyl)-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667562///NSC667564",NA,"CC(=O)C1=C(N(C(=S)C(=C1C2=CC=CC3=CC=CC=C32)C#N)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C5=CC=CC=C5","XSHJHPPJKCOZEJ-UHFFFAOYSA-N",381225,NA,"PDBC55864","667562///667564","Present",NA,NA
+"55865","[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(2-furyl)-2-methyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[3-Acetyl-5-cyano-4-(furan-2-yl)-2-methyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate",NA,"CC1=C(C(C(=C(N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S)C#N)C3=CC=CO3)C(=O)C","IQSPWOYLMXVNLL-UHFFFAOYSA-N",385424,NA,"PDBC55865","676604","Present",NA,NA
+"55866","[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(2-furyl)-2-methyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667560///NSC667563",NA,"CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=CO3)C(=O)C","DFGKYLMAHIRMKP-UHFFFAOYSA-N",381223,NA,"PDBC55866","667560///667563","Present",NA,NA
+"55867","[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(2-furyl)-2-phenyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[3-Acetyl-5-cyano-4-(furan-2-yl)-2-phenyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate",NA,"CC(=O)C1=C(N(C(=C(C1C2=CC=CO2)C#N)S)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","AAFMDQBCBDIIJN-UHFFFAOYSA-N",385426,NA,"PDBC55867","676606","Present",NA,NA
+"55868","[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(3-hydroxy-4-methoxy-phenyl)-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699177///NSC699183",NA,"CC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)OC)O)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","PRJVLTCCKCRNFK-UHFFFAOYSA-N",395020,NA,"PDBC55868","699177///699183","Present",NA,NA
+"55869","[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(4-hydroxy-3-methoxy-phenyl)-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC699181///NSC699182",NA,"CC(=O)C1=C(N(C(=S)C(=C1C2=CC(=C(C=C2)O)OC)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","YJEIQDOIBKKWFY-UHFFFAOYSA-N",395023,NA,"PDBC55869","699181///699182","Present",NA,NA
+"55870","[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[3-Acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate",NA,"CC1=C(C(C(=C(N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)S)C#N)C3=CC=C(C=C3)OC)C(=O)C","GBZRSUBGIAAIIR-UHFFFAOYSA-N",381304,NA,"PDBC55870","667741","Present",NA,NA
+"55871","[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[3-Acetyl-5-cyano-4-(4-methoxyphenyl)-2-methyl-6-sulfanylidenepyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate",NA,"CC1=C(C(=C(C(=S)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC)C(=O)C","BYWOBGAGUHONLO-UHFFFAOYSA-N",381219,NA,"PDBC55871","667556","Present",NA,NA
+"55872","[3,4,5-Triacetoxy-6-[3-acetyl-5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[3-Acetyl-5-cyano-4-(4-methoxyphenyl)-2-phenyl-6-sulfanyl-4H-pyridin-1-yl]-3,4,5-triacetyloxyoxan-2-yl]methyl acetate",NA,"CC(=O)C1=C(N(C(=C(C1C2=CC=C(C=C2)OC)C#N)S)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4","WYVFDWPBTOGGCO-UHFFFAOYSA-N",385425,NA,"PDBC55872","676605","Present",NA,NA
+"55873","[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-2-thioxo-5,6,7,8-tetrahydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-2-sulfanylidene-5,6,7,8-tetrahydroquinolin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C(=C(C2=S)C#N)C4=CC=CO4)OC(=O)C)OC(=O)C)OC(=O)C","IEAUJZRVZPBRTJ-UHFFFAOYSA-N",381199,NA,"PDBC55873","667530","Present",NA,NA
+"55874","[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-2-thioxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC3)C(=C(C2=S)C#N)C4=CC=CO4)OC(=O)C)OC(=O)C)OC(=O)C","DVTUVARBTBDACU-UHFFFAOYSA-N",381282,NA,"PDBC55874","667718","Present",NA,NA
+"55875","[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-6-(4-methoxyphenyl)-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methoxyphenyl)-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=CO3)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","YCUYRFFOVXZVCZ-UHFFFAOYSA-N",383442,NA,"PDBC55875","671809","Present",NA,NA
+"55876","[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-6-(p-tolyl)-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=CO4","ITKKNDUCUJZUCK-UHFFFAOYSA-N",383444,NA,"PDBC55876","671811","Present",NA,NA
+"55877","[3,4,5-Triacetoxy-6-[3-cyano-4-(2-furyl)-6-phenyl-2-sulfanyl-4H-pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine-3-carbonitrile, 4-(2-furanyl)- 1-(.beta.-D-gluc...",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(C(=C2S)C#N)C3=CC=CO3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","AGWLLLXICPTGRC-UHFFFAOYSA-N",381302,NA,"PDBC55877","667739","Present",NA,NA
+"55878","[3,4,5-Triacetoxy-6-[3-cyano-4-(4-methoxyphenyl)-2-thioxo-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-cyano-4-(4-methoxyphenyl)-2-sulfanylidene-6,7-dihydro-5H-cyclopenta[b]pyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC3)C(=C(C2=S)C#N)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","PPKPYPLEDJYQOA-UHFFFAOYSA-N",381281,NA,"PDBC55878","667717","Present",NA,NA
+"55879","[3,4,5-Triacetoxy-6-[3-cyano-4-(4-methoxyphenyl)-6-(p-tolyl)-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-cyano-4-(4-methoxyphenyl)-6-(4-methylphenyl)-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=S)N2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=C(C=C4)OC","SELLJEIZKGZBTI-UHFFFAOYSA-N",383441,NA,"PDBC55879","671808","Present",NA,NA
+"55880","[3,4,5-Triacetoxy-6-[3-cyano-4-(4-methoxyphenyl)-7,7-dimethyl-5-oxo-2-thioxo-6,8-dihydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676590///NSC676593",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(C(=O)CC(C3)(C)C)C(=C(C2=S)C#N)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","WSSGXWNHOKWEQA-UHFFFAOYSA-N",385411,NA,"PDBC55880","676590///676593","Present",NA,NA
+"55881","[3,4,5-Triacetoxy-6-[3-cyano-7,7-dimethyl-5-oxo-4-(p-tolyl)-2-thioxo-6,8-dihydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-cyano-7,7-dimethyl-4-(4-methylphenyl)-5-oxo-2-sulfanylidene-6,8-dihydroquinolin-1-yl]oxan-2-yl]methyl acetate",NA,"CC1=CC=C(C=C1)C2=C(C(=S)N(C3=C2C(=O)CC(C3)(C)C)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","SEJBIIUWMLTVCE-UHFFFAOYSA-N",385413,NA,"PDBC55881","676592","Present",NA,NA
+"55882","[3,4,5-Triacetoxy-6-[4,5,6-triacetoxy-2-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanylmethyl]tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,3-Tri-O-acetyl-4-O-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-S-(2,3,4,6-tetra-O-acetylhexopyranosyl)-6-thiohexopyranose",NA,"CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C(C2OC(=O)C)OC(=O)C)OC(=O)C)CSC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","YKKYTLMHVJCDAM-UHFFFAOYSA-N",370226,NA,"PDBC55882","642970","Present",NA,NA
+"55883","[3,4,5-Triacetoxy-6-[4,5-diacetoxy-2-(acetoxymethyl)-6-(o-tolylsulfanyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[4,5-diacetyloxy-2-(acetyloxymethyl)-6-(2-methylphenyl)sulfanyloxan-3-yl]oxyoxan-2-yl]methyl acetate",NA,"CC1=CC=CC=C1SC2C(C(C(C(O2)COC(=O)C)OC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","KXYPONNZHZRXAL-UHFFFAOYSA-N",375924,NA,"PDBC55883","656262","Present",NA,NA
+"55884","[3,4,5-Triacetoxy-6-[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-2-thioxo-6,8-dihydroquinolin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-5-oxo-2-sulfanylidene-6,8-dihydroquinolin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(C(=O)CC(C3)(C)C)C(=C(C2=S)C#N)C4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C)OC(=O)C","AQVQSVZZUCRWPY-UHFFFAOYSA-N",385412,NA,"PDBC55884","676591","Present",NA,NA
+"55885","[3,4,5-Triacetoxy-6-[4-(4-chlorophenyl)-5-cyano-6-oxo-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686036///Pyrimidine-5-carbonitrile, 1-(2,3,4,6-O-tetraacetyl- .be...",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)Cl)C#N)OC(=O)C)OC(=O)C)OC(=O)C","KLVUXXXCQCXMDT-UHFFFAOYSA-N",389664,NA,"PDBC55885","686036///686039","Present",NA,NA
+"55886","[3,4,5-Triacetoxy-6-[4-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]-5-oxo-3-thioxo-1,2,4-triazin-2-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[4-(4-methoxyphenyl)-6-[(4-methoxyphenyl)methyl]-5-oxo-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=S)N(C(=O)C(=N2)CC3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","GGRYTMHFAXMTQD-UHFFFAOYSA-N",362263,NA,"PDBC55886","625874","Present",NA,NA
+"55887","[3,4,5-Triacetoxy-6-[4-[2-(dimethylaminomethyl)prop-2-enoyl]phenoxy]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Propen-1-one, 2-[(dimethylamino)methy]-1-(4- .beta.-D-...",NA,"CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)C(=O)C(=C)CN(C)C)OC(=O)C)OC(=O)C)OC(=O)C","CZQYJARXPRSTCI-UHFFFAOYSA-N",336424,NA,"PDBC55887","350629","Present",NA,NA
+"55888","[3,4,5-Triacetoxy-6-[4-oxo-3-(p-tolyl)-2-thioxo-quinazolin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC639735///NSC639742",NA,"CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=S)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","CPBZCNMRRNNNMB-UHFFFAOYSA-N",368627,NA,"PDBC55888","639735///639742","Present",NA,NA
+"55889","[3,4,5-Triacetoxy-6-[5-(diethylamino)-4-methyl-triazol-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetoxy-6-[5-(diethylamino)-4-methyl-triazol-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,"CCN(CC)C1=C(N=NN1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","ZNLIRWNOHWVJJA-UHFFFAOYSA-N",366951,NA,"PDBC55889","636113","Present",NA,NA
+"55890","[3,4,5-Triacetoxy-6-[5-[(2-methoxyphenyl)methyl]-3-phenyl-6-thioxo-1,2,4-triazin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[5-[(2-methoxyphenyl)methyl]-3-phenyl-6-sulfanylidene-1,2,4-triazin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=S)C(=NC(=N2)C3=CC=CC=C3)CC4=CC=CC=C4OC)OC(=O)C)OC(=O)C)OC(=O)C","FGNLENOTGHPLKF-UHFFFAOYSA-N",362262,NA,"PDBC55890","625873","Present",NA,NA
+"55891","[3,4,5-Triacetoxy-6-[5-cyano-2,4-dimethyl-3-[(E)-p-tolylazo]-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[5-cyano-2,4-dimethyl-3-[(4-methylphenyl)diazenyl]-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC1=CC=C(C=C1)N=NC2=C(N(C(=S)C(=C2C)C#N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","HIPFSHCFKBXOCU-UHFFFAOYSA-N",381287,NA,"PDBC55891","667723","Present",NA,NA
+"55892","[3,4,5-Triacetoxy-6-[5-cyano-3-[(E)-(4-methoxyphenyl)azo]-2,4-dimethyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[5-cyano-3-[(4-methoxyphenyl)diazenyl]-2,4-dimethyl-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)OC)C)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","ZSIXHADSQLESFO-UHFFFAOYSA-N",381288,NA,"PDBC55892","667724","Present",NA,NA
+"55893","[3,4,5-Triacetoxy-6-[5-cyano-3-[(E)-(4-methoxyphenyl)azo]-4-methyl-2-phenyl-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[5-cyano-3-[(4-methoxyphenyl)diazenyl]-4-methyl-2-phenyl-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=C(C=C2)OC)C3=CC=CC=C3)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","GCTXJHUNAOSBJO-UHFFFAOYSA-N",381292,NA,"PDBC55893","667728","Present",NA,NA
+"55894","[3,4,5-Triacetoxy-6-[5-cyano-4-(4-methoxyphenyl)-2-methylsulfanyl-6-oxo-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656254///NSC658778",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC)C3=CC=C(C=C3)OC)C#N)OC(=O)C)OC(=O)C)OC(=O)C","VBKWLSVTZUNIFC-UHFFFAOYSA-N",375919,NA,"PDBC55894","656254///658778","Present",NA,NA
+"55895","[3,4,5-Triacetoxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxo-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686034///NSC686037",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=C(C=C4)OC)C#N)OC(=O)C)OC(=O)C)OC(=O)C","CISGLRQWKFPENC-UHFFFAOYSA-N",389662,NA,"PDBC55895","686034///686037","Present",NA,NA
+"55896","[3,4,5-Triacetoxy-6-[5-cyano-4-(4-methoxyphenyl)-6-oxo-2-propylsulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656259///NSC656260",NA,"CCCSC1=NC(=C(C(=O)N1C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC","YHBFZKLIZFTOIO-UHFFFAOYSA-N",375922,NA,"PDBC55896","656259///656260","Present",NA,NA
+"55897","[3,4,5-Triacetoxy-6-[5-cyano-4-methyl-2-phenyl-3-[(E)-phenylazo]-6-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(5-cyano-4-methyl-2-phenyl-3-phenyldiazenyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate",NA,"CC1=C(C(=S)N(C(=C1N=NC2=CC=CC=C2)C3=CC=CC=C3)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","WOJQJOZNPUAJTM-UHFFFAOYSA-N",381290,NA,"PDBC55897","667726","Present",NA,NA
+"55898","[3,4,5-Triacetoxy-6-[5-cyano-6-oxo-4-(p-tolyl)-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC686035///NSC686038",NA,"CC1=CC=C(C=C1)C2=C(C(=O)N(C(=N2)SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","FAUSMEYXWLNQGG-UHFFFAOYSA-N",389663,NA,"PDBC55898","686035///686038","Present",NA,NA
+"55899","[3,4,5-Triacetoxy-6-[5-cyano-6-oxo-4-phenyl-2-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]sulfanyl-pyrimidin-1-yl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[5-cyano-6-oxo-4-phenyl-2-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]sulfanylpyrimidin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C4=CC=CC=C4)C#N)OC(=O)C)OC(=O)C)OC(=O)C","DGVSWGNTJTVYIA-UHFFFAOYSA-N",389661,NA,"PDBC55899","686033","Present",NA,NA
+"55900","[3,4,5-Triacetoxy-6-[6-(4-chlorophenyl)-3-cyano-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine-3-carbonitrile, 6-(4-chlorophenyl)- 1-(.beta.-D...///NSC678058",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC=C(C2=S)C#N)C3=CC=C(C=C3)Cl)OC(=O)C)OC(=O)C)OC(=O)C","XHHBYYJANYLRLB-UHFFFAOYSA-N",386296,NA,"PDBC55900","678057///678058","Present",NA,NA
+"55901","[3,4,5-Triacetoxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-thioxo-1-pyridyl]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=S)C#N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)OC(=O)C)OC(=O)C)OC(=O)C","GZINHFZSDFCXSU-UHFFFAOYSA-N",383439,NA,"PDBC55901","671806","Present",NA,NA
+"55902","[3,4,5-Triacetoxy-6-[[1-methyl-5-[2-[1-methyl-2-methylsulfanyl-6-oxo-4-[[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]amino]pyrimidin-5-yl]iminoethylideneamino]-2-methylsulfanyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine-5,6-diamine, N(5),N(5')- (1,2-ethanediylidene...",NA,"CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=N2)SC)C)N=CC=NC3=C(N=C(N(C3=O)C)SC)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","JLEALZGELKWNGZ-UHFFFAOYSA-N",360594,NA,"PDBC55902","622769","Present",NA,NA
+"55903","[3,4,5-Triacetoxy-6-[[2-methyl-3-(m-tolyl)-4-oxo-quinazolin-6-yl]amino]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[[2-methyl-3-(3-methylphenyl)-4-oxoquinazolin-6-yl]amino]oxan-2-yl]methyl acetate",NA,"CC1=CC(=CC=C1)N2C(=NC3=C(C2=O)C=C(C=C3)NC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C","ZOSRWROXFNRLID-UHFFFAOYSA-N",386686,NA,"PDBC55903","679215","Present",NA,NA
+"55904","[3,4,5-Triacetoxy-6-[[5-(2-aminothiazol-4-yl)-1-methyl-2-methylsulfanyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[[5-(2-amino-1,3-thiazol-4-yl)-1-methyl-2-methylsulfanyl-6-oxopyrimidin-4-yl]amino]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=N2)SC)C)C3=CSC(=N3)N)OC(=O)C)OC(=O)C)OC(=O)C","YTBQQRAVDCRVSX-UHFFFAOYSA-N",371467,NA,"PDBC55904","645740","Present",NA,NA
+"55905","[3,4,5-Triacetoxy-6-[[5-(2-aminothiazol-4-yl)-2-hydroxy-1-methyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[[5-(2-amino-1,3-thiazol-4-yl)-3-methyl-2,4-dioxo-1H-pyrimidin-6-yl]amino]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=O)N2)C)C3=CSC(=N3)N)OC(=O)C)OC(=O)C)OC(=O)C","QWMIOSVNDMTQHS-UHFFFAOYSA-N",371468,NA,"PDBC55905","645741","Present",NA,NA
+"55906","[3,4,5-Triacetoxy-6-[[5-(2-aminothiazol-4-yl)-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[[5-(2-amino-1,3-thiazol-4-yl)-2-methoxy-1-methyl-6-oxopyrimidin-4-yl]amino]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=N2)OC)C)C3=CSC(=N3)N)OC(=O)C)OC(=O)C)OC(=O)C","KEVHEBOJYJFAOX-UHFFFAOYSA-N",371466,NA,"PDBC55906","645739","Present",NA,NA
+"55907","[3,4,5-Triacetyloxy-6-(2,3-dioxoindol-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(2,3-dioxoindol-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3C(=O)C2=O)OC(=O)C)OC(=O)C)OC(=O)C","RKPWDQYPWYNDFD-UHFFFAOYSA-N",373202,NA,"PDBC55907","649169","Present",NA,NA
+"55908","[3,4,5-Triacetyloxy-6-(2-amino-3,5-dicyano-4-methyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678069///NSC678070",NA,"CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","JUYTXQUQJZLUEY-UHFFFAOYSA-N",3743651,NA,"PDBC55908","678069///678070","Present",NA,NA
+"55909","[3,4,5-Triacetyloxy-6-(2-sulfanylidenepyridin-1-yl)oxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,5-Diacetoxy-2-(acetoxymethyl)-6-[(2-thioxo-1-pyridyl)oxy]tetrahydropyran-4-yl] acetate",NA,"CC(=O)OCC1C(C(C(C(O1)ON2C=CC=CC2=S)OC(=O)C)OC(=O)C)OC(=O)C","OYGSCZAWFQDNRI-UHFFFAOYSA-N",399501,NA,"PDBC55909","710362","Present",NA,NA
+"55910","[3,4,5-Triacetyloxy-6-(3,5-dicyano-2-oxo-4-phenyl-6-sulfanylpyridin-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyridine-3,5-dicarbonitrile, 1-(.beta.-D-glucopyranosyl)...///NSC678089",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=O)C#N)C3=CC=CC=C3)C#N)S)OC(=O)C)OC(=O)C)OC(=O)C","VCLBRSHSHHATBT-UHFFFAOYSA-N",386315,NA,"PDBC55910","678087///678089","Present",NA,NA
+"55911","[3,4,5-Triacetyloxy-6-(3-cyano-2-oxo-4,6-diphenylpyridin-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640208///NSC640216",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=O)C#N)C3=CC=CC=C3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","HTWBZYRZYRIZQI-UHFFFAOYSA-N",368869,NA,"PDBC55911","640208///640216","Present",NA,NA
+"55912","[3,4,5-Triacetyloxy-6-(3-cyano-4-naphthalen-1-yl-2-sulfanylidene-5,6,7,8-tetrahydroquinolin-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(3-cyano-4-naphthalen-1-yl-2-sulfanylidene-5,6,7,8-tetrahydroquinolin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCCC3)C(=C(C2=S)C#N)C4=CC=CC5=CC=CC=C54)OC(=O)C)OC(=O)C)OC(=O)C","HKIHQXATHLDJDP-UHFFFAOYSA-N",381196,NA,"PDBC55912","667527","Present",NA,NA
+"55913","[3,4,5-Triacetyloxy-6-(4-amino-2-oxo-3H-1,5-benzodiazepin-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(4-amino-2-oxo-3H-1,5-benzodiazepin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=O)CC(=NC3=CC=CC=C32)N)OC(=O)C)OC(=O)C)OC(=O)C","LNGACLCKTBDWFR-UHFFFAOYSA-N",400479,NA,"PDBC55913","712245","Present",NA,NA
+"55914","[3,4,5-Triacetyloxy-6-(5-cyano-3,4-dimethyl-2-phenyl-6-sulfanylidenepyridin-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC667538///NSC667539",NA,"CC1=C(C(=S)N(C(=C1C)C2=CC=CC=C2)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","YXWXMQIGLIXEIL-UHFFFAOYSA-N",381206,NA,"PDBC55914","667538///667539","Present",NA,NA
+"55915","[3,4,5-Triacetyloxy-6-(5-methyl-2,3-dioxoindol-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(5-methyl-2,3-dioxoindol-1-yl)oxan-2-yl]methyl acetate",NA,"CC1=CC2=C(C=C1)N(C(=O)C2=O)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","SJEUBXMROUBUSK-UHFFFAOYSA-N",373131,NA,"PDBC55915","649073","Present",NA,NA
+"55916","[3,4,5-Triacetyloxy-6-(7,8-dimethoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-DIHYDRO-7,8-DIMETHOXY-1-(2,3,4,6-TETRA-O-ACETYL-.BET...",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC4=CC(=C(C=C43)OC)OC)C=N2)OC(=O)C)OC(=O)C)OC(=O)C","CZORZRFQLNOLAY-UHFFFAOYSA-N",317776,NA,"PDBC55916","251198","Present",NA,NA
+"55917","[3,4,5-Triacetyloxy-6-(7-methoxy-4,5-dihydrobenzo[g]indazol-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,5-DIHYDRO-7-METHOXY-1-(2,3,4,6-TETRA-O-ACETYL-.BETA.-D...",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(CCC4=C3C=CC(=C4)OC)C=N2)OC(=O)C)OC(=O)C)OC(=O)C","SWJRKNKSOYQLAM-UHFFFAOYSA-N",317775,NA,"PDBC55917","251197","Present",NA,NA
+"55918","[3,4,5-Triacetyloxy-6-(8-amino-1-methyl-2-methylsulfanyl-6-oxopurin-9-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-(8-amino-1-methyl-2-methylsulfanyl-6-oxopurin-9-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=C(C(=O)N(C(=N3)SC)C)N=C2N)OC(=O)C)OC(=O)C)OC(=O)C","ZVDQVAUVZWLLQF-UHFFFAOYSA-N",360597,NA,"PDBC55918","622772","Present",NA,NA
+"55919","[3,4,5-Triacetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl)oxy]oxan-2-yl]methyl acetate",NA,"CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OC5C(C(C(C(O5)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)O","NKMHRLWNPZSPGM-UHFFFAOYSA-N",419515,NA,"PDBC55919","115610","Present",NA,NA
+"55920","[3,4,5-Triacetyloxy-6-[(3Z)-4-amino-3-[(4-chlorophenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(3Z)-4-amino-3-[(4-chlorophenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3N=C(C(=CC4=CC=C(C=C4)Cl)C2=O)N)OC(=O)C)OC(=O)C)OC(=O)C","SCNBKTQYBHFIKC-BKUYFWCQSA-N",5471627,NA,"PDBC55920","712244","Present",NA,NA
+"55921","[3,4,5-Triacetyloxy-6-[(3Z)-4-amino-3-[(4-methoxyphenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(3Z)-4-amino-3-[(4-methoxyphenyl)methylidene]-2-oxo-1,5-benzodiazepin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C3=CC=CC=C3N=C(C(=CC4=CC=C(C=C4)OC)C2=O)N)OC(=O)C)OC(=O)C)OC(=O)C","DGRVFHVUVWKEBH-HMAPJEAMSA-N",5471626,NA,"PDBC55921","712243","Present",NA,NA
+"55922","[3,4,5-Triacetyloxy-6-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(4Z)-4-(furan-2-ylmethylidene)-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=CO3)C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C","SHDHJWJYAXAUGD-WQRHYEAKSA-N",5470571,NA,"PDBC55922","703041","Present",NA,NA
+"55923","[3,4,5-Triacetyloxy-6-[(4Z)-4-[(4-chlorophenyl)methylidene]-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC703037///NSC703040",NA,"CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=C(C=C3)Cl)C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C","CDNASUWNAKBKCH-NDENLUEZSA-N",5470570,NA,"PDBC55923","703037///703040","Present",NA,NA
+"55924","[3,4,5-Triacetyloxy-6-[(4Z)-4-[(4-methoxyphenyl)methylidene]-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC703035///NSC703038",NA,"CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=C(C=C3)OC)C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C","BZHBJVSCLUMKPU-BKUYFWCQSA-N",5470568,NA,"PDBC55924","703035///703038","Present",NA,NA
+"55925","[3,4,5-Triacetyloxy-6-[(4Z)-4-[(4-methylphenyl)methylidene]-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC703036///NSC703039",NA,"CC1=CC=C(C=C1)C=C2C(=O)N(C(=N2)SC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CC=C","DVQIXOUJESFZHW-BKUYFWCQSA-N",5470569,NA,"PDBC55925","703036///703039","Present",NA,NA
+"55926","[3,4,5-Triacetyloxy-6-[(4Z)-4-[(5-bromothiophen-2-yl)methylidene]-5-oxo-1-phenylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC679244///NSC679245",NA,"CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=C(S3)Br)C(=O)N2C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","UJRLMXZYRGWBGL-NDENLUEZSA-N",5468931,NA,"PDBC55926","679244///679245","Present",NA,NA
+"55927","[3,4,5-Triacetyloxy-6-[(4Z)-4-benzylidene-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(4Z)-4-benzylidene-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)SC2=NC(=CC3=CC=CC=C3)C(=O)N2CC=C)OC(=O)C)OC(=O)C)OC(=O)C","QEUMUPBWHLXPCN-MOSHPQCFSA-N",5470567,NA,"PDBC55927","703034","Present",NA,NA
+"55928","[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-6-methyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-6-methyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,"CC1=C(C2=C(N=C(N=C2OC1=O)OC)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","OQWANWOIVCJPEJ-UHFFFAOYSA-N",363718,NA,"PDBC55928","628878","Present",NA,NA
+"55929","[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-2-methoxy-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)NC2=C3C(=CC(=O)OC3=NC(=N2)OC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","ZGGFPBNHOPPYJT-UHFFFAOYSA-N",363717,NA,"PDBC55929","628877","Present",NA,NA
+"55930","[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methoxy-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methoxy-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,"CCC1=C(C2=C(N=C(N=C2OC1=O)OC)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","IMLYSOALXPYGGH-UHFFFAOYSA-N",363721,NA,"PDBC55930","628881","Present",NA,NA
+"55931","[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,"CCC1=C(C2=C(N=C(N=C2OC1=O)SC)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","YEBMYVNXWWGAQN-UHFFFAOYSA-N",363722,NA,"PDBC55931","628882","Present",NA,NA
+"55932","[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-2-yl]methyl acetate",NA,"CC1=C(C2=C(N=C(N=C2OC1=O)SC)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","VHJLDINJHUOQNU-UHFFFAOYSA-N",363719,NA,"PDBC55932","628879","Present",NA,NA
+"55933","[3,4,5-Triacetyloxy-6-[(E)-2-(azidomethyl)-3-oxobut-1-enoxy]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[(E)-2-(azidomethyl)-3-oxobut-1-enoxy]oxan-2-yl]methyl acetate",NA,"CC(=O)C(=COC1C(C(C(C(O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)CN=[N+]=[N-]","ODCCKXWHRKTOLQ-VGOFMYFVSA-N",5471355,NA,"PDBC55933","710716","Present",NA,NA
+"55934","[3,4,5-Triacetyloxy-6-[2-amino-3,5-dicyano-4-(4-methylphenyl)-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[2-amino-3,5-dicyano-4-(4-methylphenyl)-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC1=CC=C(C=C1)C2=C(C(=S)N(C(=C2C#N)N)C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N","NWOWESBZSPBYHW-UHFFFAOYSA-N",5471623,NA,"PDBC55934","712237","Present",NA,NA
+"55935","[3,4,5-Triacetyloxy-6-[2-amino-4-(3-chlorophenyl)-3,5-dicyano-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[2-amino-4-(3-chlorophenyl)-3,5-dicyano-6-sulfanylidenepyridin-1-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=C(C(=C(C2=S)C#N)C3=CC(=CC=C3)Cl)C#N)N)OC(=O)C)OC(=O)C)OC(=O)C","RHYXCYXVSNNMPY-UHFFFAOYSA-N",5471624,NA,"PDBC55935","712238","Present",NA,NA
+"55936","[3,4,5-Triacetyloxy-6-[3-(3,3-dichloroprop-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[3-(3,3-dichloroprop-2-enyl)-1,4-dioxonaphthalen-2-yl]oxyoxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)OC2=C(C(=O)C3=CC=CC=C3C2=O)CC=C(Cl)Cl)OC(=O)C)OC(=O)C)OC(=O)C","YDEPCCXLMFQLMY-UHFFFAOYSA-N",323672,NA,"PDBC55936","286136","Present",NA,NA
+"55937","[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-2-oxo-6-phenylpyridin-1-yl]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640212///NSC640218",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=O)C#N)C3=CC=CO3)C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C","XURBLYBQYWNXSZ-UHFFFAOYSA-N",368873,NA,"PDBC55937","640212///640218","Present",NA,NA
+"55938","[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methoxyphenyl)-2-oxopyridin-1-yl]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640214///NSC640220",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=O)C#N)C3=CC=CO3)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","VMGHZVDHKNGKKJ-UHFFFAOYSA-N",368875,NA,"PDBC55938","640214///640220","Present",NA,NA
+"55939","[3,4,5-Triacetyloxy-6-[3-cyano-4-(furan-2-yl)-6-(4-methylphenyl)-2-oxopyridin-1-yl]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640213///NSC640219",NA,"CC1=CC=C(C=C1)C2=CC(=C(C(=O)N2C3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C4=CC=CO4","OJDBOPGTTSDXSZ-UHFFFAOYSA-N",368874,NA,"PDBC55939","640213///640219","Present",NA,NA
+"55940","[3,4,5-Triacetyloxy-6-[3-cyano-6-(4-methoxyphenyl)-2-oxo-4-phenylpyridin-1-yl]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC640210///NSC640217",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=CC(=C(C2=O)C#N)C3=CC=CC=C3)C4=CC=C(C=C4)OC)OC(=O)C)OC(=O)C)OC(=O)C","XNHRBIJAGRMSSF-UHFFFAOYSA-N",368871,NA,"PDBC55940","640210///640217","Present",NA,NA
+"55941","[3,4,5-Triacetyloxy-6-[4-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-6-oxopyrimidin-1-yl]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC656255///NSC656256",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=O)C(=C(N=C2SC)C3=CC=C(C=C3)Cl)C#N)OC(=O)C)OC(=O)C)OC(=O)C","BOHWTYGHKBIHCI-UHFFFAOYSA-N",375920,NA,"PDBC55941","656255///656256","Present",NA,NA
+"55942","[3,4,5-Triacetyloxy-6-[6-benzyl-3,5-bis(sulfanylidene)-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[6-benzyl-3,5-bis(sulfanylidene)-1,2,4-triazin-2-yl]oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C(=S)NC(=S)C(=N2)CC3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C","GAJIPQHEERENHD-UHFFFAOYSA-N",5472225,NA,"PDBC55942","716966","Present",NA,NA
+"55943","[3,4,5-Triacetyloxy-6-[[(9R,10R)-6-(2,4-dinitrophenyl)-2,9,12-trihydroxy-9-methyl-5,14,21-trioxo-5lambda4-selena-6,7-diazapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1,3(11),4(8),12,15,17,19-heptaen-10-yl]oxy]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[[(9R,10R)-6-(2,4-dinitrophenyl)-2,9,12-trihydroxy-9-methyl-5,14,21-trioxo-5lambda4-selena-6,7-diazapentacyclo[11.8.0.03,11.04,8.015,20]henicosa-1,3(11),4(8),12,15,17,19-heptaen-",NA,"CC(=O)OCC1C(C(C(C(O1)OC2C3=C(C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)C6=C(C2(C)O)NN([Se]6=O)C7=C(C=C(C=C7)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C)OC(=O)C)OC(=O)C","IDAVDGUVLKBBFC-QXPDVQBJSA-N",6712776,NA,"PDBC55943","710715","Present",NA,NA
+"55944","[3,4,5-Triacetyloxy-6-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Urea, N-(2-chloroethyl)-N-nitroso-N'-(2,3,4,6-tetra-O-ac...",NA,"CC(=O)OCC1C(C(C(C(O1)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C)OC(=O)C","AOUKENUMKWIYHM-UHFFFAOYSA-N",316858,NA,"PDBC55944","245432","Present",NA,NA
+"55945","[3,4,5-Triacetyloxy-6-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Triacetyloxy-6-[[5-(4-methylphenyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl acetate",NA,"CC1=CC=C(C=C1)C2=CN=C(S2)NC3C(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","LXUJURWYKMGNEE-UHFFFAOYSA-N",358200,NA,"PDBC55945","618080","Present",NA,NA
+"55946","[3,4,5-Tribenzoyloxy-6-[[5-(p-tolyl)thiazol-2-yl]amino]tetrahydropyran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Tribenzoyloxy-6-[[5-(p-tolyl)thiazol-2-yl]amino]tetrahydropyran-2-yl]methyl benzoate",NA,"CC1=CC=C(C=C1)C2=CN=C(S2)NC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7","ROPMRFCVNXMQDG-UHFFFAOYSA-N",381920,NA,"PDBC55946","669172","Present",NA,NA
+"55947","[3,4,5-Trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Trihydroxy-6-(4-hydroxy-3-methoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate",NA,"COC1=C(C=CC(=C1)OC2C(C(C(C(O2)COC(=O)C3=CC(=C(C(=C3)O)O)O)O)O)O)O","DEUNVKAEJOZXBQ-UHFFFAOYSA-N",385552,NA,"PDBC55947","676820","Present",NA,NA
+"55948","[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5R,6S,9S,12R,13S,14S,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-1-(hydroxymethyl)-5,6,12,13,19-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo[20.17.0.02,19.05,18.06,15.09,14.025,30.031,36]nonatriaconta-15,25,27,29,31,33,35-heptaene-9-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,2R,5R,6S,9S,12R,13S,14S,18R,19R,21R,22R)-21,27,28,29,32,33,34-heptahydroxy-1-(hydroxymethyl)-5,6,12,13,19-pentamethyl-24,37-dioxo-23,38-dioxaoctacyclo",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C6C5(COC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O6)O)O)O)O)O)O)CO)O)C)C)C2C1C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)O","GEPCFINLGINXJO-LJFZIKNYSA-N",5468818,NA,"PDBC55948","676830","Present",NA,NA
+"55949","[3,4,5-Trihydroxy-6-[[(1S,2R,10R,14R)-2,6,6,10-tetramethyl-7-oxo-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Trihydroxy-6-[[(1S,2R,10R,14R)-2,6,6,10-tetramethyl-7-oxo-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxan-2-yl]methyl acetate",NA,"CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(=O)C5(C)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","SZQXSZSHYSNINW-JYPWSJOUSA-N",11970083,NA,"PDBC55949","664908","Present",NA,NA
+"55950","[3,4,5-Trihydroxy-6-[[(2R,10S)-7-hydroxy-2,6,6,10-tetramethyl-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Trihydroxy-6-[[(2R,10S)-7-hydroxy-2,6,6,10-tetramethyl-15-[(2S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]oxan-2-yl]methyl acetate",NA,"CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)O)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","NEKPJXXSWRCQTL-BKTVKRBBSA-N",11970074,NA,"PDBC55950","663004","Present",NA,NA
+"55951","[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] 4,4-dimethylnonanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,5-Trihydroxy-6-[[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl] 4,4-dimethylnonanoate",NA,"CCCCCC(C)(C)CCC(=O)OC1C(C(C(C(O1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)O","BVDPJYZAHQRDIY-UHFFFAOYSA-N",404590,NA,"PDBC55951","720946","Present",NA,NA
+"55952","[3,4,6-Triacetoxy-5-(cyanoamino)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Cyanamido-2-deoxy-1,3,4,6-tetra-O-acetyl-.beta.-D-gluc...",NA,"CC(=O)OCC1C(C(C(C(O1)OC(=O)C)NC#N)OC(=O)C)OC(=O)C","ZKRFZPUNBWXYPJ-UHFFFAOYSA-N",374110,NA,"PDBC55952","651414","Present",NA,NA
+"55953","[3,4,6-Triacetoxy-5-[[5-(p-tolyl)thiazol-2-yl]amino]tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4,6-Triacetoxy-5-[[5-(p-tolyl)thiazol-2-yl]amino]tetrahydropyran-2-yl]methyl acetate",NA,"CC1=CC=C(C=C1)C2=CN=C(S2)NC3C(C(C(OC3OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C","BPFBUDWVWDTPFY-UHFFFAOYSA-N",381923,NA,"PDBC55953","669174","Present",NA,NA
+"55954","[3,4-Di(butanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9H-Purine-6-thiol, 9-.beta.-D-ribofuranosyl-, 2',3',5'-t...",NA,"CCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCC)OC(=O)CCC","BHPPLUZZMFOJAN-UHFFFAOYSA-N",4019652,NA,"PDBC55954","76952","Present",NA,NA
+"55955","[3,4-Diacetoxy-5-(2,4-dioxo-4a,6,7,8,9,10a-hexahydrobenzo[g]quinazolin-1-yl)tetrahydrofuran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-5-(2,4-dioxo-4a,6,7,8,9,10a-hexahydrobenzo[g]quinazolin-1-yl)oxolan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(O1)N2C3C=C4CCCCC4=CC3C(=O)NC2=O)OC(=O)C)OC(=O)C","XPDDKNZTDVIEIA-UHFFFAOYSA-N",393455,NA,"PDBC55955","695363","Present",NA,NA
+"55956","[3,4-Diacetoxy-5-(6-bromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydrofuran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-5-(6-bromo-4-oxo-3-phenyl-2-sulfanylidenequinazolin-1-yl)oxolan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(O1)N2C3=C(C=C(C=C3)Br)C(=O)N(C2=S)C4=CC=CC=C4)OC(=O)C)OC(=O)C","HMTPVULSMIRKKZ-UHFFFAOYSA-N",368633,NA,"PDBC55956","639746","Present",NA,NA
+"55957","[3,4-Diacetoxy-5-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)tetrahydrofuran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetoxy-5-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)tetrahydrofuran-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(O1)N2C3=C(N=C2Br)N(C(=O)N(C3=O)C)C)OC(=O)C)OC(=O)C","WMKAROSJJRFIGV-UHFFFAOYSA-N",384177,NA,"PDBC55957","673507","Present",NA,NA
+"55958","[3,4-Diacetoxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C","UERCMAQQQGMCHL-UHFFFAOYSA-N",368306,NA,"PDBC55958","638854","Present",NA,NA
+"55959","[3,4-Diacetoxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-tetrahydropyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC642908///NSC642909",NA,"CC(=O)OCC1C(C(C(C(O1)OC)NC(=O)N(CCCl)N=O)OC(=O)C)OC(=O)C","BECQDORDVUUICT-UHFFFAOYSA-N",370165,NA,"PDBC55959","642908///642909","Present",NA,NA
+"55960","[3,4-Diacetoxy-6-(1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetoxy-6-(1,3-benzothiazol-2-yl)-3,4-dihydro-2H-pyran-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C=C(O1)C2=NC3=CC=CC=C3S2)OC(=O)C)OC(=O)C","IYLGMZMTCUIEIG-UHFFFAOYSA-N",385630,NA,"PDBC55960","676976","Present",NA,NA
+"55961","[3,4-Diacetyloxy-5-(2,6-diiodopurin-9-yl)oxolan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-5-(2,6-diiodopurin-9-yl)oxolan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(O1)N2C=NC3=C2N=C(N=C3I)I)OC(=O)C)OC(=O)C","APPPJARIZVNFFO-UHFFFAOYSA-N",342614,NA,"PDBC55961","379746","Present",NA,NA
+"55962","[3,4-Diacetyloxy-5-(2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-5-(2-oxopyrimidin-1-yl)oxolan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(O1)N2C=CC=NC2=O)OC(=O)C)OC(=O)C","GZIISKHKBQTYKY-UHFFFAOYSA-N",336827,NA,"PDBC55962","352296","Present",NA,NA
+"55963","[3,4-Diacetyloxy-5-(5-amino-4-carbamothioylimidazol-1-yl)oxolan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-5-(5-amino-4-carbamothioylimidazol-1-yl)oxolan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(O1)N2C=NC(=C2N)C(=S)N)OC(=O)C)OC(=O)C","VNARSZSQAHLTMW-UHFFFAOYSA-N",3750196,NA,"PDBC55963","608910","Present",NA,NA
+"55964","[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(O1)N2C3=C(C=CC(=C3)[N+](=O)[O-])C(=C2O)N=NC(=S)N)OC(=O)C)OC(=O)C","VGPBERPSAYQYDW-UHFFFAOYSA-N",4402219,NA,"PDBC55964","649175","Present",NA,NA
+"55965","[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl hexadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-5-[3-(carbamothioyldiazenyl)-2-hydroxy-6-nitroindol-1-yl]oxolan-2-yl]methyl hexadecanoate",NA,"CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C3=C(C=CC(=C3)[N+](=O)[O-])C(=C2O)N=NC(=S)N)OC(=O)C)OC(=O)C","YDFDDGVAVHZFGY-UHFFFAOYSA-N",3847618,NA,"PDBC55965","649052","Present",NA,NA
+"55966","[3,4-Diacetyloxy-5-amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-5-amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)C)OC(=O)C","RIOXASLXDGZHON-UHFFFAOYSA-N",363215,NA,"PDBC55966","627906","Present",NA,NA
+"55967","[3,4-Diacetyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)C)OC(=O)C","DAQKGOFNCUFNOD-UHFFFAOYSA-N",363214,NA,"PDBC55967","627905","Present",NA,NA
+"55968","[3,4-Diacetyloxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-pyran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Diacetyloxy-6-(5-methyl-1,3,4-oxadiazol-2-yl)-3,4-dihydro-2H-pyran-2-yl]methyl acetate",NA,"CC1=NN=C(O1)C2=CC(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C","GKEPIZUYPXLGHT-UHFFFAOYSA-N",385631,NA,"PDBC55968","676977","Present",NA,NA
+"55969","[3,4-Dibenzoyloxy-5-(2H-tetrazol-5-yl)tetrahydrofuran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Anhydro-2,3,5-tri-O-benzoyl-1-(2H-tetraazol-5-yl)pentitol",NA,"C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C3=NNN=N3)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5","LYFJYZSVRFEBQB-UHFFFAOYSA-N",389373,NA,"PDBC55969","685419","Present",NA,NA
+"55970","[3,4-Dibenzoyloxy-5-(3-cyano-4-hydroxy-pyrazolo[3,4-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dibenzoyloxy-5-(3-cyano-4-oxo-5H-pyrazolo[3,4-d]pyrimidin-1-yl)oxolan-2-yl]methyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C4=C(C(=N3)C#N)C(=O)NC=N4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","HVJIZKAPCMQVIJ-UHFFFAOYSA-N",135429918,NA,"PDBC55970","605471","Present",NA,NA
+"55971","[3,4-Dibenzoyloxy-5-(7-cyanoimidazo[1,2-b]pyrazol-1-yl)tetrahydrofuran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dibenzoyloxy-5-(7-cyanoimidazo[1,2-b]pyrazol-1-yl)tetrahydrofuran-2-yl]methyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C=CN4C3=C(C=N4)C#N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","UAJUKYWXZLZMBD-UHFFFAOYSA-N",354533,NA,"PDBC55971","606537","Present",NA,NA
+"55972","[3,4-Dibenzoyloxy-5-[(4Z)-4-benzylidene-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxolan-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dibenzoyloxy-5-[(4Z)-4-benzylidene-5-oxo-1-prop-2-enylimidazol-2-yl]sulfanyloxolan-2-yl]methyl benzoate",NA,"C=CCN1C(=O)C(=CC2=CC=CC=C2)N=C1SC3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","NSTYUVSZVHLBSQ-KRUMMXJUSA-N",5470572,NA,"PDBC55972","703042","Present",NA,NA
+"55973","[3,4-Dibenzoyloxy-5-[(4Z)-5-oxo-1-prop-2-enyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxolan-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dibenzoyloxy-5-[(4Z)-5-oxo-1-prop-2-enyl-4-(thiophen-2-ylmethylidene)imidazol-2-yl]sulfanyloxolan-2-yl]methyl benzoate",NA,"C=CCN1C(=O)C(=CC2=CC=CS2)N=C1SC3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","ISLVLZXEYDNZDI-SLMZUGIISA-N",5470573,NA,"PDBC55973","703043","Present",NA,NA
+"55974","[3,4-Dibenzoyloxy-5-[4-(1-naphthyl)-3-[[5-(3-pyridyl)tetrazol-2-yl]methyl]-5-thioxo-1,2,4-triazol-1-yl]tetrahydrofuran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dibenzoyloxy-5-[4-naphthalen-1-yl-3-[(5-pyridin-3-yltetrazol-2-yl)methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]oxolan-2-yl]methyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)N3C(=S)N(C(=N3)CN4N=C(N=N4)C5=CN=CC=C5)C6=CC=CC7=CC=CC=C76)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9","CZWOAZSOZKZUGK-UHFFFAOYSA-N",390493,NA,"PDBC55974","687861","Present",NA,NA
+"55975","[3,4-Dibenzoyloxy-5-[4-(4-methoxyphenyl)-3-[[5-(3-pyridyl)tetrazol-2-yl]methyl]-5-thioxo-1,2,4-triazol-1-yl]tetrahydrofuran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dibenzoyloxy-5-[4-(4-methoxyphenyl)-3-[(5-pyridin-3-yltetrazol-2-yl)methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]oxolan-2-yl]methyl benzoate",NA,"COC1=CC=C(C=C1)N2C(=NN(C2=S)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)CN7N=C(N=N7)C8=CN=CC=C8","UEIPEKPIGSRPKA-UHFFFAOYSA-N",390491,NA,"PDBC55975","687859","Present",NA,NA
+"55976","[3,4-Dibenzoyloxy-5-[4-(p-tolyl)-3-[[5-(3-pyridyl)tetrazol-2-yl]methyl]-5-thioxo-1,2,4-triazol-1-yl]tetrahydrofuran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dibenzoyloxy-5-[4-(4-methylphenyl)-3-[(5-pyridin-3-yltetrazol-2-yl)methyl]-5-sulfanylidene-1,2,4-triazol-1-yl]oxolan-2-yl]methyl benzoate",NA,"CC1=CC=C(C=C1)N2C(=NN(C2=S)C3C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)CN7N=C(N=N7)C8=CN=CC=C8","DLFMPJQKQONLOT-UHFFFAOYSA-N",390490,NA,"PDBC55976","687858","Present",NA,NA
+"55977","[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]methyl-ethoxyphosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC706064///NSC706065",NA,"CCOP(=O)(CC1C(C(C(O1)CO)O)O)O","KEPMJNLETNXSHW-UHFFFAOYSA-N",397687,NA,"PDBC55977","706064///706065","Present",NA,NA
+"55978","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-fluoro-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)F)O)O","BRVPZZGFLZGOIS-UHFFFAOYSA-N",396086,NA,"PDBC55978","701598","Present",NA,NA
+"55979","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)O)O)O","DFENCZAYDXXGMQ-UHFFFAOYSA-N",396085,NA,"PDBC55979","701597","Present",NA,NA
+"55980","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O)O)O","WDHQBQJQPYACSM-UHFFFAOYSA-N",392613,NA,"PDBC55980","693169","Present",NA,NA
+"55981","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(6-oxo-1H-purin-9-yl)oxolan-2-yl]methyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3CCC(O3)N4C=NC5=C4N=CNC5=O)O)O","GWGVQBGXUQNYOA-UHFFFAOYSA-N",135448038,NA,"PDBC55981","698682","Present",NA,NA
+"55982","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=NC4=O)NCCCCCCCCCCCCCCCCCC)F)O)O)O","SKBCFNRPBCUPCB-UHFFFAOYSA-N",394831,NA,"PDBC55982","698683","Present",NA,NA
+"55983","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)O)O)O","WACWVKZNIDXFKL-UHFFFAOYSA-N",390209,NA,"PDBC55983","687366","Present",NA,NA
+"55984","[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hexadecyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hexadecyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCCCCCCCCCCCCCCCC)O)O","WJXFJCZWOGVTDX-UHFFFAOYSA-N",390207,NA,"PDBC55984","687364","Present",NA,NA
+"55985","[3,4-Dihydroxy-5-[4-[[(Z)-octadec-9-enyl]amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dihydroxy-5-[4-[[(Z)-octadec-9-enyl]amino]-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate",NA,"CCCCCCCCC=CCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)F)O)O","MRKONKFVAVDXSZ-KTKRTIGZSA-N",5468967,NA,"PDBC55985","680417","Present",NA,NA
+"55986","[3,4-Dioctadecoxybutyl(phenoxy)phosphoryl]methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,4-Dioctadecoxybutyl(phenoxy)phosphoryl]methylphosphonic acid",NA,"CCCCCCCCCCCCCCCCCCOCC(CCP(=O)(CP(=O)(O)O)OC1=CC=CC=C1)OCCCCCCCCCCCCCCCCCC","MJKCLHDVWPCEHU-UHFFFAOYSA-N",360935,NA,"PDBC55986","623647","Present",NA,NA
+"55987","[3,5-Bis(2,4-dimethylphenyl)-4-(2-methoxyacetyl)oxyphenyl] 2-methoxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3,5-Bis(2,4-dimethylphenyl)-4-(2-methoxyacetyl)oxyphenyl] 2-methoxyacetate",NA,"CC1=CC(=C(C=C1)C2=CC(=CC(=C2OC(=O)COC)C3=C(C=C(C=C3)C)C)OC(=O)COC)C","BMWURCBFBVQLJI-UHFFFAOYSA-N",292969,NA,"PDBC55987","159242","Present",NA,NA
+"55988","[3,5-Bis[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]pyrazol-1-yl]-(2-bromophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-bis(4-hydroxy-3-methoxystyryl)-1H-pyrazole-1-(2-brom...",NA,"COC1=C(C=CC(=C1)C=CC2=CC(=NN2C(=O)C3=CC=CC=C3Br)C=CC4=CC(=C(C=C4)O)OC)O","MMEOKZUCEVHQTD-MKICQXMISA-N",155814475,NA,"PDBC55988","757928","Present",NA,NA
+"55989","[3-(1,3-Benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(1,3-Benzodioxol-5-yl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone",NA,"C1C(=NN(C1(C2=CC(=C(C=C2Cl)Cl)F)O)C(=O)C3=CN=CC=C3)C4=CC5=C(C=C4)OCO5","YMEYAESYAHIGRC-UHFFFAOYSA-N",401998,NA,"PDBC55989","715687","Present",NA,NA
+"55990","[3-(2,2-Dimethylpropyl)-1,4-dioxonaphthalen-2-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2,2-Dimethylpropyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl acetate",NA,"CC(=O)OC1=C(C(=O)C2=CC=CC=C2C1=O)CC(C)(C)C","BWXAYMFCRNQSTJ-UHFFFAOYSA-N",265896,NA,"PDBC55990","102537","Present",NA,NA
+"55991","[3-(2,4-Dichlorobenzoyl)-2-sulfanylideneimidazolidin-1-yl]-(2,4-dichlorophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(2,4-Dichlorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(2,4-dichlorophenyl)methanone",NA,"C1CN(C(=S)N1C(=O)C2=C(C=C(C=C2)Cl)Cl)C(=O)C3=C(C=C(C=C3)Cl)Cl","HOLJMPPVGJCBIA-UHFFFAOYSA-N",396754,NA,"PDBC55991","703464","Present",NA,NA
+"55992","[3-(2,6-Dichlorophenyl)isoxazol-5-yl][bis(methylthio)]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(2,6-Dichlorophenyl)isoxazol-5-yl][bis(methylthio)]acetic acid",NA,"CSC(C1=CC(=NO1)C2=C(C=CC=C2Cl)Cl)(C(=O)O)SC","USGLNBBXXIBSBU-UHFFFAOYSA-N",355656,NA,"PDBC55992","609761","Present",NA,NA
+"55993","[3-(3,4-Dichlorobenzoyl)-2-sulfanylideneimidazolidin-1-yl]-(3,4-dichlorophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(3,4-Dichlorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(3,4-dichlorophenyl)methanone",NA,"C1CN(C(=S)N1C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)C3=CC(=C(C=C3)Cl)Cl","OKNVHTYKIMVAAR-UHFFFAOYSA-N",396755,NA,"PDBC55993","703465","Present",NA,NA
+"55994","[3-(3,4-Dichlorophenyl)-2-(ethylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-ethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, ethyl-, [5-(3,4-dichlorophenyl)-2,3-dihyd...",NA,"CCNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NCC)C3=CC(=C(C=C3)Cl)Cl","HPZPIYUIZRBRLO-UHFFFAOYSA-N",320365,NA,"PDBC55994","267700","Present",NA,NA
+"55995","[3-(3,4-Dichlorophenyl)-2-(propylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-1-yl]methyl N-propylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Carbamic acid, propyl-, [5-(3,4-dichlorophenyl)-2,3-dihy...",NA,"CCCNC(=O)OCC1=C2CCCN2C(=C1COC(=O)NCCC)C3=CC(=C(C=C3)Cl)Cl","WFDVKJNRLURTDB-UHFFFAOYSA-N",322174,NA,"PDBC55995","278213","Present",NA,NA
+"55996","[3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydropyrazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(3,4-Dimethoxyphenyl)-5-(4-methoxyphenyl)-4,5-dihydro...",NA,"COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=C(C=C4)OC)OC","JEYZDIAWPWWMSA-UHFFFAOYSA-N",60147773,NA,"PDBC55996","752397","Present",NA,NA
+"55997","[3-(3,5-Dichlorobenzoyl)-2-sulfanylideneimidazolidin-1-yl]-(3,5-dichlorophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(3,5-Dichlorobenzoyl)-2-thioxo-imidazolidin-1-yl]-(3,5-dichlorophenyl)methanone",NA,"C1CN(C(=S)N1C(=O)C2=CC(=CC(=C2)Cl)Cl)C(=O)C3=CC(=CC(=C3)Cl)Cl","JNQNRDNIVWVCBI-UHFFFAOYSA-N",396756,NA,"PDBC55997","703466","Present",NA,NA
+"55998","[3-(3-Hydroxy-4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(3-Hydroxy-4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,"COC1=C(C=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4)O","ZQDIKFKVJMAEMW-UHFFFAOYSA-N",45029128,NA,"PDBC55998","745487","Present",NA,NA
+"55999","[3-(4-Chloro-phenyl)-3-(4-trifluoromethyl-phenyl)-amino-ally lidene]-(4-trifluoromethyl-phenyl)-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(4-Chloro-phenyl)-3-(4-trifluoromethyl-phenyl)-amino-...",NA,"C1=CC(=CC=C1C(=CC=NC2=CC=C(C=C2)C(F)(F)F)NC3=CC=C(C=C3)C(F)(F)F)Cl","HMTZIDZHYMGKOJ-ASAAZIEHSA-N",5473092,NA,"PDBC55999","723649","Present",NA,NA
+"56000","[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(4-Chloro-phenyl)-3-oxo-propenylamino]-acetonitrile",NA,"C1=CC(=CC=C1C(=O)C=CNCC#N)Cl","SREQUKUKPHWDDP-ALCCZGGFSA-N",24203420,NA,"PDBC56000","727955","Present",NA,NA
+"56001","[3-(4-Chloro-phenyl)-3-p-tolylamino-allylidene]-p-tolylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(4-Chloro-phenyl)-3-p-tolylamino-allylidene]-p-tolyla...",NA,"CC1=CC=C(C=C1)NC(=CC=NC2=CC=C(C=C2)C)C3=CC=C(C=C3)Cl","WSLDQHWWWHAYOU-QZQGXLDPSA-N",5473315,NA,"PDBC56001","725051","Present",NA,NA
+"56002","[3-(4-Chlorobenzoyl)oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-chlorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(4-Chlorobenzoyl)oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 4-chlorobenzoate",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=C(C=C3)Cl)OC(=O)C4=CC=C(C=C4)Cl","ZAKKKLNPSKOUDL-UHFFFAOYSA-N",357468,NA,"PDBC56002","616353","Present",NA,NA
+"56003","[3-(4-Chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(4-Chlorophenyl)-5-(2,4-dichloro-5-fluorophenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone",NA,"C1C(=NN(C1(C2=CC(=C(C=C2Cl)Cl)F)O)C(=O)C3=CN=CC=C3)C4=CC=C(C=C4)Cl","IWFBROTVONKHAK-UHFFFAOYSA-N",401997,NA,"PDBC56003","715686","Present",NA,NA
+"56004","[3-(4-Ethoxycarbonyloxy-3,5-dimethoxybenzoyl)-2,6-dimethoxyphenyl] 2-chloroacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(4-ethoxycarbonyloxy-3,5-dimethoxy-benzoyl)-2,6-dimet...",NA,"CCOC(=O)OC1=C(C=C(C=C1OC)C(=O)C2=C(C(=C(C=C2)OC)OC(=O)CCl)OC)OC","SGUJPJVHVVWMQT-UHFFFAOYSA-N",155809217,NA,"PDBC56004","797552","Present",NA,NA
+"56005","[3-(4-Ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)naphthalen-2-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,4-Dihydro-3-(3-benzoyloxy-2-naphthyl)-4-ethyl-5H-1,2,4...",NA,"CCN1C(=NNC1=S)C2=CC3=CC=CC=C3C=C2OC(=O)C4=CC=CC=C4","MNNWUVXUCMICDW-UHFFFAOYSA-N",10981661,NA,"PDBC56005","729056","Present",NA,NA
+"56006","[3-(4-Methoxybenzoyl)oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] 4-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(4-Methoxybenzoyl)oxy-2-methyl-3,4-dihydro-2H-pyran-4-yl] 4-methoxybenzoate",NA,"CC1C(C(C=CO1)OC(=O)C2=CC=C(C=C2)OC)OC(=O)C3=CC=C(C=C3)OC","OEHLTPIDZCHVKH-UHFFFAOYSA-N",359637,NA,"PDBC56006","620696","Present",NA,NA
+"56007","[3-(4-Methoxyphenyl)-2-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(4-Methoxyphenyl)-2-(p-tolylsulfonylamino)propyl] 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)OC)COS(=O)(=O)C3=CC=C(C=C3)C","GOHNYWAEPAOQDB-UHFFFAOYSA-N",394212,NA,"PDBC56007","697494","Present",NA,NA
+"56008","[3-(4-Methoxyphenyl)-3-oxoprop-1-enyl]methylcyanocarbonimidodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[3-(4-Methoxy-phneyl)-3-oxo-prop-1-en-1-yl]-S'-methyl ...",NA,"COC1=CC=C(C=C1)C(=O)C=CSC(=NC#N)SC","VFJOWVMRXRBZPA-DPZRFJKGSA-N",7004070,NA,"PDBC56008","723917","Present",NA,NA
+"56009","[3-(4-Methylphenyl)sulfonylimidazol-4-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"XPYGFPAXOSJDKI-UHFFFAOYSA-N",NA,"CC1=CC=C(C=C1)S(=O)(=O)N2C=NC=C2CO","XPYGFPAXOSJDKI-UHFFFAOYSA-N",382151,NA,"PDBC56009","669597","Present",NA,NA
+"56010","[3-(6-Aminopurin-9-yl)cyclopentyl]methyl sulfamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC664889",NA,"C1CC(CC1COS(=O)(=O)N)N2C=NC3=C(N=CN=C32)N","NDRHVTJVAGDBKF-UHFFFAOYSA-N",379797,NA,"PDBC56010","664889","Present",NA,NA
+"56011","[3-(7-Hydroxy-2-oxochromen-4-yl)-2-oxo-5H-pyrano[3,2-c]chromen-5-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-dihydro-3-(7-hydroxy-2-oxo-2H-chromen-4-yl)-2-oxopyr...",NA,"CC(=O)OC1C2=C(C3=CC=CC=C3O1)OC(=O)C(=C2)C4=CC(=O)OC5=C4C=CC(=C5)O","XTOMUIRLTALPJL-UHFFFAOYSA-N",45028497,NA,"PDBC56011","742948","Present",NA,NA
+"56012","[3-(Acetamidocarbamoyl)-1-(4-chlorophenyl)pyrazol-4-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Acetamidocarbamoyl)-1-(4-chlorophenyl)pyrazol-4-yl] acetate",NA,"CC(=O)NNC(=O)C1=NN(C=C1OC(=O)C)C2=CC=C(C=C2)Cl","MPJIEKGYLDJUBW-UHFFFAOYSA-N",406099,NA,"PDBC56012","724042","Present",NA,NA
+"56013","[3-(Acetyloxymethyl)-2,4,4-trimethylcyclohex-2-en-1-yl] (3S)-2-acetyloxy-3-benzamido-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Acetyloxymethyl)-2,4,4-trimethylcyclohex-2-en-1-yl] (3S)-2-acetyloxy-3-benzamido-3-phenylpropanoate",NA,"CC1=C(C(CCC1OC(=O)C(C(C2=CC=CC=C2)NC(=O)C3=CC=CC=C3)OC(=O)C)(C)C)COC(=O)C","CIXFLMHXBVCNNA-QLLQDVQFSA-N",377428,NA,"PDBC56013","658871","Present",NA,NA
+"56014","[3-(Acridin-9-ylamino)-5-aminophenyl]methanol;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[cl-].nc1cc(co)cc(nc2c3ccccc3nc4ccccc24)c1",NA,"C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC(=CC(=C4)N)CO.Cl","GLOVSKKKPJOWKS-UHFFFAOYSA-N",380481,NA,"PDBC56014","666097","Present",NA,NA
+"56015","[3-(Benzo[b]phosphindol-5-ylmethyl)oxetan-3-yl]methyl-bis(m-tolylmethyl)phosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Benzo[b]phosphindol-5-ylmethyl)oxetan-3-yl]methyl-bis(m-tolylmethyl)phosphane",NA,"CC1=CC(=CC=C1)CP(CC2=CC=CC(=C2)C)CC3(COC3)CP4C5=CC=CC=C5C6=CC=CC=C64","NCFUYQICOXAVOK-UHFFFAOYSA-N",391096,NA,"PDBC56015","689714","Present",NA,NA
+"56016","[3-(Chloromethyl)-2,3-dihydroindol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Chloromethyl)indolin-1-yl]-(5,6,7-trimethoxy-1h-indol-2-yl)methanone",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=CC=CC=C43)CCl)OC)OC","AQUVDGWNYWDJAJ-UHFFFAOYSA-N",393954,NA,"PDBC56016","696990","Present",NA,NA
+"56017","[3-(Chloromethyl)-6-nitro-2,3-dihydroindol-1-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Chloromethyl)-6-nitro-2,3-dihydro-1h-indol-1-yl](5,6,7-trimethoxy-1h-indol-2-yl)methanone",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl)OC)OC","AUXOUNCEXATLHW-UHFFFAOYSA-N",387911,NA,"PDBC56017","682144","Present",NA,NA
+"56018","[3-(Dimethylamino)-2-hydroxy-4-oxo-cyclobut-2-en-1-ylidene]-dimethyl-ammonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(Dimethylamino)-4-(dimethyliminio)-3-oxocyclobut-1-en-1-olate",NA,"CN(C)C1=C(C(=[N+](C)C)C1=O)[O-]","YNLZGALCALRTFU-UHFFFAOYSA-N",360508,NA,"PDBC56018","622644","Present",NA,NA
+"56019","[3-(Dimethylamino)phenyl] N-(2-chloroethyl)carbamate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Dimethylamino)phenyl] N-(2-chloroethyl)carbamate;hydrochloride",NA,"CN(C)C1=CC(=CC=C1)OC(=O)NCCCl.Cl","VJNJAEDRUUUHHM-UHFFFAOYSA-N",360089,NA,"PDBC56019","621941","Present",NA,NA
+"56020","[3-(Ethoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Ethoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide",NA,"CCOCN1COCN=C1NC#N","OIJFDMIFPSAOCG-UHFFFAOYSA-N",370384,NA,"PDBC56020","643476","Present",NA,NA
+"56021","[3-(Furan-2-carbonyl)-2-sulfanylideneimidazolidin-1-yl]-(furan-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Furan-2-carbonyl)-2-thioxo-imidazolidin-1-yl]-(2-furyl)methanone",NA,"C1CN(C(=S)N1C(=O)C2=CC=CO2)C(=O)C3=CC=CO3","NMKBLVSFBWDIQV-UHFFFAOYSA-N",396757,NA,"PDBC56021","703467","Present",NA,NA
+"56022","[3-(Furan-2-yl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Furan-2-yl)-5-(4-methylsulfonylphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)S(=O)(=O)C)C4=CC=CO4","RLYCUMIJMBHPQE-UHFFFAOYSA-N",45028994,NA,"PDBC56022","745097","Present",NA,NA
+"56023","[3-(Hydroxymethyl)-1-methyl-4,5-dihydrobenzo[g]indol-2-yl]methyl N-propan-2-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Hydroxymethyl)-1-methyl-4,5-dihydro-1H-benzo[g]indol-2-yl]methyl propan-2-ylcarbamate",NA,"CC(C)NC(=O)OCC1=C(C2=C(N1C)C3=CC=CC=C3CC2)CO","JQHVHDZJPQCGLS-UHFFFAOYSA-N",362967,NA,"PDBC56023","627458","Present",NA,NA
+"56024","[3-(Hydroxymethyl)-7-methoxy-1-methyl-4,5-dihydrobenzo[g]indol-2-yl]methyl N-propan-2-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Hydroxymethyl)-7-methoxy-1-methyl-4,5-dihydro-1H-benzo[g]indol-2-yl]methyl propan-2-ylcarbamate",NA,"CC(C)NC(=O)OCC1=C(C2=C(N1C)C3=C(CC2)C=C(C=C3)OC)CO","DYQAIVYRROWJFF-UHFFFAOYSA-N",362968,NA,"PDBC56024","627459","Present",NA,NA
+"56025","[3-(Methoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Methoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide",NA,"COCN1COCN=C1NC#N","DMOPBLPQKDXWJG-UHFFFAOYSA-N",370381,NA,"PDBC56025","643472","Present",NA,NA
+"56026","[3-(Propoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-(Propoxymethyl)-2,6-dihydro-1,3,5-oxadiazin-4-yl]cyanamide",NA,"CCCOCN1COCN=C1NC#N","YOAVKRJFXCEBEA-UHFFFAOYSA-N",370382,NA,"PDBC56026","643473","Present",NA,NA
+"56027","[3-Acetoxy-4,5-dibenzoyloxy-6-[[5-(4-bromophenyl)thiazol-2-yl]amino]tetrahydropyran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Acetyloxy-4,5-dibenzoyloxy-6-[[5-(4-bromophenyl)-1,3-thiazol-2-yl]amino]oxan-2-yl]methyl benzoate",NA,"CC(=O)OC1C(OC(C(C1OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)NC4=NC=C(S4)C5=CC=C(C=C5)Br)COC(=O)C6=CC=CC=C6","UPHQROQYAQMZKO-UHFFFAOYSA-N",381919,NA,"PDBC56027","669171","Present",NA,NA
+"56028","[3-Acetoxy-4-bromo-5-(2,4-dioxothieno[3,2-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Acetoxy-4-bromo-5-(2,4-dioxothieno[3,2-d]pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl acetate",NA,"CC(=O)OCC1C(C(C(O1)N2C3=C(C(=O)NC2=O)SC=C3)Br)OC(=O)C","LXXCGGVRGQIDBS-UHFFFAOYSA-N",385452,NA,"PDBC56028","676690","Present",NA,NA
+"56029","[3-Acetoxy-5-(2,4-dioxo-4a,6,7,8,9,10a-hexahydrobenzo[g]quinazolin-1-yl)tetrahydrofuran-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Acetyloxy-5-(2,4-dioxo-4a,6,7,8,9,10a-hexahydrobenzo[g]quinazolin-1-yl)oxolan-2-yl]methyl acetate",NA,"CC(=O)OCC1C(CC(O1)N2C3C=C4CCCCC4=CC3C(=O)NC2=O)OC(=O)C","CXPYYHWRPPCPSZ-UHFFFAOYSA-N",393457,NA,"PDBC56029","695365","Present",NA,NA
+"56030","[3-Acetyloxy-2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-2-methylpropyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Acetyloxy-2-(16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl)-2-methylpropyl] acetate",NA,"CC(=O)OCC(C)(COC(=O)C)N1C(=O)C2C(C1=O)C3C4=CC=CC=C4C2C5=CC=CC=C35","HHQBIFUBJNKSFA-UHFFFAOYSA-N",380635,NA,"PDBC56030","666311","Present",NA,NA
+"56031","[3-Acetyloxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5,12-Naphthacenedione, 10-[(3,4-di-O-acetyl-2,6-dideoxy-...",NA,"CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)OC(=O)C)OC(=O)C","FCYRUGFDQOKETE-AXBADRFBSA-N",328650,NA,"PDBC56031","307990","Present",NA,NA
+"56032","[3-Acetyloxy-6-[(E)-6-[(1S,3E,7E)-4,8-dimethylcyclodeca-3,7-dien-1-yl]-2-methylhept-5-en-2-yl]oxy-4,5-dihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693536///NSC693537",NA,"CC1=CCCC(=CCC(CC1)C(=CCCC(C)(C)OC2C(C(C(C(O2)COC(=O)C)OC(=O)C)O)O)C)C","SIBSUOICZHROMU-WODZTBOESA-N",5469854,NA,"PDBC56032","693536///693537","Present",NA,NA
+"56033","[3-Allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-4-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-4-yl] acetate",NA,"CC(=O)OC1=C(C(OC1=O)C2COC(O2)(C)C)OCC=C","SNUSGDPWNYHOPC-UHFFFAOYSA-N",387132,NA,"PDBC56033","680540","Present",NA,NA
+"56034","[3-Allyloxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Allyloxy-5-(6-aminopurin-9-yl)tetrahydrofuran-2-yl]methanol",NA,"C=CCOC1CC(OC1CO)N2C=NC3=C(N=CN=C32)N","HKIFUCPMCJEOTG-UHFFFAOYSA-N",374905,NA,"PDBC56034","653480","Present",NA,NA
+"56035","[3-Amino-4-(2-hydroxypropoxy)phenyl]arsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: qy1&1or bz d-as-qqo",NA,"CC(COC1=C(C=C(C=C1)[As](=O)(O)O)N)O","FEQOAJFIPPBRLL-UHFFFAOYSA-N",95470,NA,"PDBC56035","11825","Present",NA,NA
+"56036","[3-Amino-5-(2-cyclopropylethynyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-amino-5-(cyclopropylethynyl)-6-methoxy-1H-indol-2-yl)...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=C(N2)C=C(C(=C3)C#CC4CC4)OC)N","LNJZRZNHLLWWGM-UHFFFAOYSA-N",155805296,NA,"PDBC56036","777179","Present",NA,NA
+"56037","[3-Amino-5-(3-hydroxyprop-1-ynyl)-6-methoxy-1H-indol-2-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-amino-5-(3-hydroxyprop-1-ynyl)-6-methoxy-1H-indol-2-y...",NA,"COC1=CC(=CC(=C1OC)OC)C(=O)C2=C(C3=C(N2)C=C(C(=C3)C#CCO)OC)N","LKNCGHBDNHEXQS-UHFFFAOYSA-N",155806631,NA,"PDBC56037","777178","Present",NA,NA
+"56038","[3-Amino-5-(furo[2,3-b]quinolin-4-ylamino)phenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Amino-5-(furo[2,3-b]quinolin-4-ylamino)phenyl]methanol",NA,"C1=CC=C2C(=C1)C(=C3C=COC3=N2)NC4=CC(=CC(=C4)N)CO","YCFIAULVRSVPSM-UHFFFAOYSA-N",404357,NA,"PDBC56038","720559","Present",NA,NA
+"56039","[3-Amino-5-[(2-chloro-11H-indolo[3,2-c]quinolin-6-yl)amino]phenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{3-Amino-5-[(2-chloro-11h-indolo[3,2-c]quinolin-6-yl)amino]phenyl}methanol",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=C(C=CC(=C4)Cl)N=C3NC5=CC(=CC(=C5)N)CO","YYQXBRXZEBQLIW-UHFFFAOYSA-N",404611,NA,"PDBC56039","721039","Present",NA,NA
+"56040","[3-Azido-3-(iodomethyl)-2-prop-1-ynylcyclohexyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Azido-3-(iodomethyl)-2-prop-1-ynylcyclohexyl] benzoate",NA,"CC#CC1C(CCCC1(CI)N=[N+]=[N-])OC(=O)C2=CC=CC=C2","GFTMITPUFPQSRQ-UHFFFAOYSA-N",358285,NA,"PDBC56040","618227","Present",NA,NA
+"56041","[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])O)O","AHMNHNJZRGJFLV-UHFFFAOYSA-N",392612,NA,"PDBC56041","693168","Present",NA,NA
+"56042","[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O)N=[N+]=[N-]","CJLKHLDYMRNMRB-UHFFFAOYSA-N",392611,NA,"PDBC56042","693167","Present",NA,NA
+"56043","[3-Benzoyloxy-4-(4-nitrophenyl)sulfonyloxy-5-(phenylcarbamoyloxy)oxolan-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Benzoyloxy-4-(4-nitrophenyl)sulfonyloxy-5-(phenylcarbamoyloxy)oxolan-2-yl]methyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)OC(=O)NC3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(=O)C5=CC=CC=C5","AVTIEDKYBAUKNE-UHFFFAOYSA-N",348485,NA,"PDBC56043","407813","Present",NA,NA
+"56044","[3-Bromo-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Bromo-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene",NA,"C1=CC=C(C=C1)C2=C(C2(C(F)(F)F)Br)C3=CC=CC=C3","OKJCUIPEHFGLRC-UHFFFAOYSA-N",357616,NA,"PDBC56044","617140","Present",NA,NA
+"56045","[3-Butanoyloxy-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Butanoyloxy-4-fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate",NA,"CCCC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)F)OC(=O)CCC","YIUKEUOPPDSJFT-UHFFFAOYSA-N",380994,NA,"PDBC56045","666871","Present",NA,NA
+"56046","[3-Butanoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Butanoyloxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl butanoate",NA,"CCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)OC(=O)CCC","IKOZLHKUJQHYFR-UHFFFAOYSA-N",379286,NA,"PDBC56046","663792","Present",NA,NA
+"56047","[3-Chloro-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Chloro-2-phenyl-3-(trifluoromethyl)cyclopropen-1-yl]benzene",NA,"C1=CC=C(C=C1)C2=C(C2(C(F)(F)F)Cl)C3=CC=CC=C3","SJSGXALESPCFPO-UHFFFAOYSA-N",357615,NA,"PDBC56047","617139","Present",NA,NA
+"56048","[3-Chloro-3-(4-chloro-phenyl)-1-hydroxy-allyl]-phosphonic acid dimethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Chloro-3-(4-chloro-phenyl)-1-hydroxy-allyl]-phosphoni...",NA,"COP(=O)(C(C=C(C1=CC=C(C=C1)Cl)Cl)O)OC","CNONALSSANSMRX-YFHOEESVSA-N",5473093,NA,"PDBC56048","723650","Present",NA,NA
+"56049","[3-Hydroxy-2-(hydroxymethyl)-6-methoxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Hydroxy-2-(hydroxymethyl)-6-methoxy-5-(3,4,5-trihydroxybenzoyl)oxyoxan-4-yl] 3,4,5-trihydroxybenzoate",NA,"COC1C(C(C(C(O1)CO)O)OC(=O)C2=CC(=C(C(=C2)O)O)O)OC(=O)C3=CC(=C(C(=C3)O)O)O","UTEMCUTWDFVNEF-UHFFFAOYSA-N",383390,NA,"PDBC56049","671561","Present",NA,NA
+"56050","[3-Hydroxy-5-(5-methyl-2,4-dioxo(1,3-dihydropyrimidinyl))oxolan-2-yl]methyl be nzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl benzoate",NA,"CC1=CN(C(=O)NC1=O)C2CC(C(O2)COC(=O)C3=CC=CC=C3)O","NOEPYUJTOCSCJP-UHFFFAOYSA-N",359636,NA,"PDBC56050","620695","Present",NA,NA
+"56051","[3-Hydroxy-6-methoxy-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Hydroxy-6-methoxy-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(C(C(O2)OC)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C)O","VBMPEXQCHMMMJD-UHFFFAOYSA-N",359619,NA,"PDBC56051","620678","Present",NA,NA
+"56052","[3-Keto-Bmt(sup 1)]-[Val(sup 2)]-Cyclosporin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-keto-Bmt(sup 1)]-[Val(sup 2)]-Cyclosporin",NA,"CC=CCC(C)C(=O)C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)C","YJDYDFNKCBANTM-QBFCYDOWSA-N",5467197,NA,"PDBC56052","648265","Present",NA,NA
+"56053","[3-Methoxy-6-(trimethylazaniumyl)hexyl]-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Methoxy-6-(trimethylazaniumyl)hexyl]-trimethylazanium;iodide",NA,"C[N+](C)(C)CCCC(CC[N+](C)(C)C)OC.[I-]","PNBWHVFPEYNTRC-UHFFFAOYSA-M",377590,NA,"PDBC56053","659157","Present",NA,NA
+"56054","[3-Methyl-4-(phenylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-Methyl-4-(phenylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate",NA,"CC1=C(C=CC(=C1)OC(=O)NC2=CC=C(C=C2)Cl)C(=S)NC3=CC=CC=C3","SGOATNDCXULZIR-UHFFFAOYSA-N",5471249,NA,"PDBC56054","710002","Present",NA,NA
+"56055","[3-[(2,6-Diaminopurin-9-yl)methyl]cyclopentyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[(2,6-Diaminopurin-9-yl)methyl]cyclopentyl]methanol",NA,"C1CC(CC1CN2C=NC3=C(N=C(N=C32)N)N)CO","KSCMRRQIOXETOM-UHFFFAOYSA-N",395598,NA,"PDBC56055","700343","Present",NA,NA
+"56056","[3-[(2-Amino-6-chloropyrimidin-4-yl)oxymethyl]-3-hydroxycyclobutyl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(((2-Amino-6-chloro-4-pyrimidinyl)oxy)methyl)-3-hydroxycyclobutyl)methyl benzoate",NA,"C1C(CC1(COC2=CC(=NC(=N2)N)Cl)O)COC(=O)C3=CC=CC=C3","OVUFQGAWDZYSSX-UHFFFAOYSA-N",385276,NA,"PDBC56056","676387","Present",NA,NA
+"56057","[3-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[(2E,4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]oxy-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohe",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)OC(=O)C=C(C)C=CC=C(C)C=CC4=C(CCCC4(C)C)C)C)C","VIAGTTOZHTZNFT-FNMSJJEGSA-N",5468409,NA,"PDBC56057","669728","Present",NA,NA
+"56058","[3-[(3,4-Dichlorophenyl)methylene]-2,4-dihydroxy-6-oxo-5-triphenylphosphaniumyl-cyclohexa-1,4-dien-1-yl]-triphenyl-phosphonium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6-(3,4-Dichlorobenzylidene)-5-oxo-2,4-bis(triphenylphosphonio)cyclohexa-1,3-diene-1,3-diolate",NA,"C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=C(C(=CC5=CC(=C(C=C5)Cl)Cl)C(=O)C(=C4[O-])[P+](C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)[O-]","GRQHZMQDOOMIPJ-UHFFFAOYSA-N",384667,NA,"PDBC56058","674712","Present",NA,NA
+"56059","[3-[(4-Chlorophenyl)carbamoyl]-2-oxo-4-phenylchromen-7-yl] 2-phenylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[(4-Chlorophenyl)carbamoyl]-2-oxo-4-phenylchromen-7-yl] 2-phenylacetate",NA,"C1=CC=C(C=C1)CC(=O)OC2=CC3=C(C=C2)C(=C(C(=O)O3)C(=O)NC4=CC=C(C=C4)Cl)C5=CC=CC=C5","HZNIKYNEYZNQSG-UHFFFAOYSA-N",359691,NA,"PDBC56059","621106","Present",NA,NA
+"56060","[3-[(4-Chlorophenyl)carbamoyl]-2-oxo-4-phenylchromen-7-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[(4-Chlorophenyl)carbamoyl]-2-oxo-4-phenylchromen-7-yl] benzoate",NA,"C1=CC=C(C=C1)C2=C(C(=O)OC3=C2C=CC(=C3)OC(=O)C4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)Cl","VYDGPJIBTHUJNO-UHFFFAOYSA-N",359690,NA,"PDBC56060","621105","Present",NA,NA
+"56061","[3-[(5-Acetoxy-2-methyl-pyrazolo[1,5-a]pyridin-3-yl)methyl]-2-methyl-pyrazolo[1,5-a]pyridin-5-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[(5-Acetyloxy-2-methylpyrazolo[1,5-a]pyridin-3-yl)methyl]-2-methylpyrazolo[1,5-a]pyridin-5-yl] acetate",NA,"CC1=NN2C=CC(=CC2=C1CC3=C4C=C(C=CN4N=C3C)OC(=O)C)OC(=O)C","CCSQGYSMUMXKFA-UHFFFAOYSA-N",386502,NA,"PDBC56061","678872","Present",NA,NA
+"56062","[3-[(5-Amino-7-chlorotriazolo[4,5-d]pyrimidin-3-yl)methyl]cyclopentyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[(5-Amino-7-chloro-triazolo[4,5-e]pyrimidin-3-yl)methyl]cyclopentyl]methanol",NA,"C1CC(CC1CN2C3=C(C(=NC(=N3)N)Cl)N=N2)CO","MBWFUFVOLGSEPR-UHFFFAOYSA-N",395600,NA,"PDBC56062","700345","Present",NA,NA
+"56063","[3-[(Benzylamino)methyl]-2-[(4-hydroxyphenyl)methyl]-3-methyl-5-(2-phenylethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[(Benzylamino)methyl]-2-[(4-hydroxyphenyl)methyl]-3-methyl-5-(2-phenylethyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone",NA,"CC1(CC(N(C1CC2=CC=C(C=C2)O)C(=O)C3=CC=C(C=C3)[N+](=O)[O-])CCC4=CC=CC=C4)CNCC5=CC=CC=C5","UAOSXJFTICMPKG-UHFFFAOYSA-N",401727,NA,"PDBC56063","715457","Present",NA,NA
+"56064","[3-[(E)-3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoyl]phenyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-3-(3-(3-hydroxy-4-methoxyphenyl)acryloyl)phenylboron...",NA,"B(C1=CC(=CC=C1)C(=O)C=CC2=CC(=C(C=C2)OC)O)(O)O","IPSHODCJLFFRPK-FNORWQNLSA-N",155814703,NA,"PDBC56064","777097","Present",NA,NA
+"56065","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate;iodide",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)C(C)(C)C.[I-]","LBQQSRQLGQTYDX-UHFFFAOYSA-N",376908,NA,"PDBC56065","658089","Present",NA,NA
+"56066","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide",NA,"CCC(CC)C(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","QSCAKZSNTTXZMV-UHFFFAOYSA-N",376904,NA,"PDBC56066","658087","Present",NA,NA
+"56067","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide",NA,"CC(C)C(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","JLQVFHVXNNDXPJ-UHFFFAOYSA-N",376906,NA,"PDBC56067","658088","Present",NA,NA
+"56068","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)CC4=CC=CC=C4.[I-]","BGCLBABFLOKPPA-UHFFFAOYSA-N",376918,NA,"PDBC56068","658094","Present",NA,NA
+"56069","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3,3-dimethylbutanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3,3-dimethylbutanoate;iodide",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)CC(C)(C)C.[I-]","YKCCGDDRZYQKBQ-UHFFFAOYSA-N",376912,NA,"PDBC56069","658091","Present",NA,NA
+"56070","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide",NA,"CC(C)CC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","CKADVSKBPVSOBK-UHFFFAOYSA-N",376910,NA,"PDBC56070","658090","Present",NA,NA
+"56071","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclohexanecarboxylate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclohexanecarboxylate;iodide",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)C4CCCCC4.[I-]","KSBYUXHGUMCKFG-UHFFFAOYSA-N",376914,NA,"PDBC56071","658092","Present",NA,NA
+"56072","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=C[N+](=CC=C3)COC(=O)C4CC4.[I-]","AHDXHLURPAMEPF-UHFFFAOYSA-N",376916,NA,"PDBC56072","658093","Present",NA,NA
+"56073","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide",NA,"CCCCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","QLSGNXFBJLWHKU-UHFFFAOYSA-N",376900,NA,"PDBC56073","658085","Present",NA,NA
+"56074","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide",NA,"CCCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","DORUBTOOLKAOBT-UHFFFAOYSA-N",376898,NA,"PDBC56074","658084","Present",NA,NA
+"56075","[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide",NA,"CCCCC(=O)OC[N+]1=CC=CC(=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","GRKSEJKGGBCZRY-UHFFFAOYSA-N",24202441,NA,"PDBC56075","658083","Present",NA,NA
+"56076","[3-[2-[Bis(4-fluorophenyl)methoxy]ethyl]-3,9-diazabicyclo[4.2.1]nonan-9-yl]-(1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-{2-[Bis(4-fluorophenyl)methoxy]ethyl}-9-(1h-indol-2-ylcarbonyl)-3,9-diazabicyclo[4.2.1]nonane",NA,"C1CC2CN(CCC1N2C(=O)C3=CC4=CC=CC=C4N3)CCOC(C5=CC=C(C=C5)F)C6=CC=C(C=C6)F","WBUHRGXQSPNUQP-UHFFFAOYSA-N",401896,NA,"PDBC56076","715584","Present",NA,NA
+"56077","[3-[3-Acetyl-2-(2,4-difluorophenyl)-2H-1,3,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyrazol-4-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[3-Acetyl-2-(2,4-difluorophenyl)-2H-1,3,4-oxadiazol-5-yl]-1-(4-chlorophenyl)pyrazol-4-yl] acetate",NA,"CC(=O)N1C(OC(=N1)C2=NN(C=C2OC(=O)C)C3=CC=C(C=C3)Cl)C4=C(C=C(C=C4)F)F","YBNKJXPLSFIVTL-UHFFFAOYSA-N",406743,NA,"PDBC56077","725023","Present",NA,NA
+"56078","[3-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[4-(Dimethylamino)phenyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,"CN(C)C1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=C(C=C4)OC","FFYFPFWNZWRYNM-UHFFFAOYSA-N",45029127,NA,"PDBC56078","745486","Present",NA,NA
+"56079","[3-[4-[3-(Fluoromethylsulfonyloxy)propanoyl]piperazin-1-yl]-3-oxopropyl] fluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[4-[3-(Fluoromethylsulfonyloxy)propanoyl]piperazin-1-yl]-3-oxopropyl] fluoromethanesulfonate",NA,"C1CN(CCN1C(=O)CCOS(=O)(=O)CF)C(=O)CCOS(=O)(=O)CF","XITXSPZWYQXBFG-UHFFFAOYSA-N",383018,NA,"PDBC56079","671002","Present",NA,NA
+"56080","[3-[5-(2-Anilinopyrimidin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-4-yl]-2-fluorophenyl]-(2,6-difluorophenyl)sulfonylazanide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[5-(2-anilinopyrimidin-4-yl)-2-[2-(methylamino)-2-oxo...",NA,"CNC(=O)CC1=NC(=C(S1)C2=NC(=NC=C2)NC3=CC=CC=C3)C4=C(C(=CC=C4)[N-]S(=O)(=O)C5=C(C=CC=C5F)F)F","XGWYLVFNZZNBDE-UHFFFAOYSA-N",155816510,NA,"PDBC56080","797381","Present",NA,NA
+"56081","[3-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aS,6bR,10S,12aR)-10-[3-acetamido-6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxy-3-[(2E,6S)-6-[3,4-dihydroxy-5-[(2E)-6-hydroxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-6-methyloxan-2-yl]oxy-2-(hydroxymethyl)-6-methylocta-2,7-dienoyl]oxy-5-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[5-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxy-6-methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S,4aR,5R,6aS,6bR,10",NA,"CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(C(C7)OC(=O)C(=CCCC(C)(C=C)OC8C(C(C(C(O8)C)OC(=O)C(=CCCC(C)(C=C)O)CO)O)O)CO)(C)C)C(=O)OC9C(C(C(C(O9)CO)O)O)OC1C(C(C(C(O1)C)OC1C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)CO)O)O)O)O)O)C)C)C)NC(=O)C)O)O)OC1C(C(C(CO1)O)O)O)O)O","HKEDBKXRDHFCFB-YERWJWFHSA-N",45029265,NA,"PDBC56081","745943","Present",NA,NA
+"56082","[3-[5-[3,5-Dihydroxy-4-(3,4,5-trihydroxyoxan-2-yl)oxyoxan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[4,5-dihydroxy-6-(hydroxymethyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC676773///NSC676774",NA,"CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C7(CCC(C(C7CCC6(C5(CC4)C)C)(C)C)OC8C(C(C(C(O8)CO)O)O)OC9C(C(C(C(O9)CO)O)O)O)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)OC1C(C(C(CO1)O)O)O)O","GGJRZIMZYBAXEM-RYLUFRSVSA-N",385522,NA,"PDBC56082","676773///676774","Present",NA,NA
+"56083","[3-[Bis(2,2-dimethylpropanoyloxymethoxy)phosphoryl]-2-oxopiperidin-1-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(((1-(benzoyloxy)-2-oxopiperidin-3-yl)phosphoryl)bis(oxy...",NA,"CC(C)(C)C(=O)OCOP(=O)(C1CCCN(C1=O)OC(=O)C2=CC=CC=C2)OCOC(=O)C(C)(C)C","RHCXDUUYRRYNLW-UHFFFAOYSA-N",155816557,NA,"PDBC56083","790965","Present",NA,NA
+"56084","[3-[Bis(2-chloroethyl)amino]-5-carbamoyloxyphenyl] carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,3-Benzenediol, 5-[bis(2-chloroethyl)amino]-, dicarbama...",NA,"C1=C(C=C(C=C1OC(=O)N)OC(=O)N)N(CCCl)CCCl","YGGDABPJGGNPPC-UHFFFAOYSA-N",316843,NA,"PDBC56084","245341","Present",NA,NA
+"56085","[3-[[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[[3-Azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phos",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC(COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)C)N=[N+]=[N-])OCCCCCCCCCCCCCCCCCC)O)O","WLQCJVZDOOFGTK-UHFFFAOYSA-N",394837,NA,"PDBC56085","698689","Present",NA,NA
+"56086","[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCOC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O","SQRKLIRPTOBGAL-UHFFFAOYSA-N",394836,NA,"PDBC56086","698688","Present",NA,NA
+"56087","[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,"C1CC(OC1COP(=O)(O)OCC(COP(=O)(O)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)O)O)N4C=CC(=NC4=O)N","FEPYIZPOIUKDNC-UHFFFAOYSA-N",397134,NA,"PDBC56087","704533","Present",NA,NA
+"56088","[3-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[3-[[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] [4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxol",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)OP(=O)(O)OCC(COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=NC4=O)NCCCCCCCCCCCCCCCCCC)F)O)O)O","WUAWCSWWILXKNB-UHFFFAOYSA-N",397135,NA,"PDBC56088","704534","Present",NA,NA
+"56089","[4,1'-Dicarbothioic acid, bis[[1-(2-pyridinyl)ethylidene]hydrazide]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,4'-Bipiperidine]-1,1'-dicarbothioic acid, bis[[1-(2-p...",NA,"CC(=NNC(=S)N1CCC(CC1)C2CCN(CC2)C(=S)NN=C(C)C3=CC=CC=N3)C4=CC=CC=N4","MOOLQJQPXAPSKQ-CZYCKNNWSA-N",5464855,NA,"PDBC56089","363072","Present",NA,NA
+"56090","[4,10-Bis(phosphonomethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,10-Bis(phosphonomethyl)-1,4,7,10,13-pentazacyclopentadec-1-yl]methylphosphonic acid",NA,"C1CN(CCNCCN(CCN(CCN1)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O","SLKOTJPUOZGKFS-UHFFFAOYSA-N",393900,NA,"PDBC56090","696861","Present",NA,NA
+"56091","[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] acetate",NA,"CCC1C2=CC(=O)OC3=C4C(C(C(OC4=C(C(C23)O1)CC=C(C)C)(C)O)(C)CC)OC(=O)C","VYYRJRLCQZXBHV-UHFFFAOYSA-N",393699,NA,"PDBC56091","696133","Present",NA,NA
+"56092","[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,11-Diethyl-5-hydroxy-4,5-dimethyl-8-(3-methylbut-2-enyl)-14-oxo-6,10,15-trioxatetracyclo[7.6.1.02,7.012,16]hexadeca-1,7,12-trien-3-yl] benzoate",NA,"CCC1C2=CC(=O)OC3=C4C(C(C(OC4=C(C(C23)O1)CC=C(C)C)(C)O)(C)CC)OC(=O)C5=CC=CC=C5","MIVHWPHZKXHITD-UHFFFAOYSA-N",393700,NA,"PDBC56092","696134","Present",NA,NA
+"56093","[4,5-Diacetoxy-6-(11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetoxy-6-(11H-indolo[2,3-a]carbazol-12-yl)tetrahydropyran-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC=CC=C3C4=C2C5=C(C=C4)C6=CC=CC=C6N5","IEETTZJIVHLYRY-UHFFFAOYSA-N",392232,NA,"PDBC56093","692364","Present",NA,NA
+"56094","[4,5-Diacetoxy-6-(2-amino-3,5-dicyano-4-methyl-6-thioxo-1-pyridyl)tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678072///NSC678075",NA,"CC1=C(C(=S)N(C(=C1C#N)N)C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C#N","UKXFHRCDUJHKKR-UHFFFAOYSA-N",3005865,NA,"PDBC56094","678072///678075","Present",NA,NA
+"56095","[4,5-Diacetoxy-6-(2-amino-3,5-dicyano-4-phenyl-6-thioxo-1-pyridyl)tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678073///NSC678076",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=C(C(=C(C2=S)C#N)C3=CC=CC=C3)C#N)N","MGXBCCDROORAHJ-UHFFFAOYSA-N",3005866,NA,"PDBC56095","678073///678076","Present",NA,NA
+"56096","[4,5-Diacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetoxy-6-(4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC=CC=C3C(=O)N(C2=S)C4=CC=CC=C4","QMXBXQXGFBBBFL-UHFFFAOYSA-N",368630,NA,"PDBC56096","639743","Present",NA,NA
+"56097","[4,5-Diacetoxy-6-(6-bromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetoxy-6-(6-bromo-4-oxo-3-phenyl-2-thioxo-quinazolin-1-yl)tetrahydropyran-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=C(C=C3)Br)C(=O)N(C2=S)C4=CC=CC=C4","MUWPUDSOZQNDBO-UHFFFAOYSA-N",368631,NA,"PDBC56097","639744","Present",NA,NA
+"56098","[4,5-Diacetoxy-6-[(2-methoxy-1-methyl-6-oxo-5-propanoyl-pyrimidin-4-yl)amino]oxy-tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[(2-methoxy-1-methyl-6-oxo-5-propanoylpyrimidin-4-yl)amino]oxyoxan-3-yl] acetate",NA,"CCC(=O)C1=C(N=C(N(C1=O)C)OC)NOC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C","JAPQWIUVJVPEEL-UHFFFAOYSA-N",364475,NA,"PDBC56098","630807","Present",NA,NA
+"56099","[4,5-Diacetoxy-6-[(2-methylsulfanyl-5-oxo-furo[2,3-d]pyrimidin-4-yl)amino]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[(2-methylsulfanyl-5-oxofuro[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C3C(=O)COC3=NC(=N2)SC","RLZHGVQDSNKBEQ-UHFFFAOYSA-N",371469,NA,"PDBC56099","645742","Present",NA,NA
+"56100","[4,5-Diacetoxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl)amino]oxy-tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[(5-butanoyl-2-methoxy-1-methyl-6-oxopyrimidin-4-yl)amino]oxyoxan-3-yl] acetate",NA,"CCCC(=O)C1=C(N=C(N(C1=O)C)OC)NOC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C","MIWILUDNKQJDRY-UHFFFAOYSA-N",364477,NA,"PDBC56100","630809","Present",NA,NA
+"56101","[4,5-Diacetoxy-6-[2-amino-3,5-dicyano-4-(4-methoxyphenyl)-6-thioxo-1-pyridyl]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC678074///NSC678077",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=C(C(=C(C2=S)C#N)C3=CC=C(C=C3)OC)C#N)N","ZMIHKEJUFMRJSB-UHFFFAOYSA-N",3005867,NA,"PDBC56101","678074///678077","Present",NA,NA
+"56102","[4,5-Diacetoxy-6-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-thioxo-1-pyridyl]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidenepyridin-1-yl]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=CC(=C(C2=S)C#N)C3=CC=C(C=C3)OC)C4=CC=CC=C4","ZAHOVOIQMKUJOL-UHFFFAOYSA-N",383445,NA,"PDBC56102","671812","Present",NA,NA
+"56103","[4,5-Diacetoxy-6-[4-oxo-3-(p-tolyl)-2-thioxo-quinazolin-1-yl]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetoxy-6-[4-oxo-3-(p-tolyl)-2-thioxo-quinazolin-1-yl]tetrahydropyran-3-yl] acetate",NA,"CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N(C2=S)C4C(C(C(CO4)OC(=O)C)OC(=O)C)OC(=O)C","NDYRYWNRTMVRTQ-UHFFFAOYSA-N",368632,NA,"PDBC56103","639745","Present",NA,NA
+"56104","[4,5-Diacetoxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxo-pyrimidin-1-yl]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[5-cyano-2-ethylsulfanyl-4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]oxan-3-yl] acetate",NA,"CCSC1=NC(=C(C(=O)N1C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C#N)C3=CC=C(C=C3)OC","FRIGTTJRMDPZHE-UHFFFAOYSA-N",375923,NA,"PDBC56104","656261","Present",NA,NA
+"56105","[4,5-Diacetoxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-thioxo-1-pyridyl]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-sulfanylidenepyridin-1-yl]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=CC(=C(C2=S)C#N)C3=CC=CC=C3)C4=CC=C(C=C4)Cl","ZPUNMVFZRCOWAV-UHFFFAOYSA-N",383446,NA,"PDBC56105","671813","Present",NA,NA
+"56106","[4,5-Diacetoxy-6-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-4-oxo-1,2-dihydropyrimidin-3-yl]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[6-(4-chlorophenyl)-5-cyano-2-methylsulfanyl-4-oxo-1,2-dihydropyrimidin-3-yl]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(NC(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)SC","HGLHWUDPXMDIKS-UHFFFAOYSA-N",377750,NA,"PDBC56106","659341","Present",NA,NA
+"56107","[4,5-Diacetoxy-6-[[2-(benzylamino)-1-methyl-5-nitroso-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[[2-(benzylamino)-1-methyl-5-nitroso-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)NCC3=CC=CC=C3)C)N=O","AYHXGRCDXNVITL-UHFFFAOYSA-N",378835,NA,"PDBC56107","662153","Present",NA,NA
+"56108","[4,5-Diacetoxy-6-[[2-(butylamino)-1-methyl-5-nitroso-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[[2-(butylamino)-1-methyl-5-nitroso-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,"CCCCNC1=NC(=C(C(=O)N1C)N=O)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C","CTKNRTIQZGTDDJ-UHFFFAOYSA-N",378834,NA,"PDBC56108","662152","Present",NA,NA
+"56109","[4,5-Diacetoxy-6-[[3-(4-methoxyphenyl)-2-methyl-4-oxo-quinazolin-6-yl]amino]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]amino]oxan-3-yl] acetate",NA,"CC1=NC2=C(C=C(C=C2)NC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)N1C4=CC=C(C=C4)OC","FYWOHECYVXCGEJ-UHFFFAOYSA-N",386688,NA,"PDBC56109","679217","Present",NA,NA
+"56110","[4,5-Diacetoxy-6-[[5-(2-aminothiazol-4-yl)-2-methoxy-1-methyl-6-oxo-pyrimidin-4-yl]amino]tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[[5-(2-amino-1,3-thiazol-4-yl)-2-methoxy-1-methyl-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)OC)C)C3=CSC(=N3)N","WCQLZRUYDIAODY-UHFFFAOYSA-N",371465,NA,"PDBC56110","645738","Present",NA,NA
+"56111","[4,5-Diacetoxy-6-azido-2-(chloromethyl)tetrahydropyran-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetoxy-6-azido-2-(chloromethyl)tetrahydropyran-3-yl] acetate",NA,"CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)N=[N+]=[N-])CCl","VNMVMSNEBWXPTI-UHFFFAOYSA-N",362639,NA,"PDBC56111","626824","Present",NA,NA
+"56112","[4,5-Diacetyloxy-6-(2,3-dioxoindol-1-yl)oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,5-Bis(acetyloxy)-2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)tetrahydro-2H-pyran-4-yl acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC=CC=C3C(=O)C2=O","RPCHJXYHOXHSLC-UHFFFAOYSA-N",373204,NA,"PDBC56112","649171","Present",NA,NA
+"56113","[4,5-Diacetyloxy-6-(3-amino-5-methyl-1,2,4-triazol-1-yl)oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetoxy-2-(3-amino-5-methyl-1,2,4-triazol-1-yl)tetrahydropyran-3-yl] acetate",NA,"CC1=NC(=NN1C2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)N","RNEMBXSCJLFPLG-UHFFFAOYSA-N",398184,NA,"PDBC56113","707779","Present",NA,NA
+"56114","[4,5-Diacetyloxy-6-(5-bromo-2,3-dioxoindol-1-yl)oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-(5-bromo-2,3-dioxoindol-1-yl)oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=C(C=C3)Br)C(=O)C2=O","PMESJDIHRZLQKM-UHFFFAOYSA-N",373207,NA,"PDBC56114","649174","Present",NA,NA
+"56115","[4,5-Diacetyloxy-6-(5-bromo-6-nitro-2,3-dioxoindol-1-yl)oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-(5-bromo-6-nitro-2,3-dioxoindol-1-yl)oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC(=C(C=C3C(=O)C2=O)Br)[N+](=O)[O-]","OBFSNKOCUGHSLT-UHFFFAOYSA-N",373212,NA,"PDBC56115","649179","Present",NA,NA
+"56116","[4,5-Diacetyloxy-6-(5-hydroxy-2-methoxy-3,6-dimethyl-4,7-dioxopyrido[2,3-d]pyrimidin-8-yl)oxyoxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2-methoxy-3,6-dimethyl-4,7-dioxo- 3,7-dihydrop...",NA,"CC1=C(C2=C(N=C(N(C2=O)C)OC)N(C1=O)OC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)O","CKBVJADOZLQZSN-UHFFFAOYSA-N",54676247,NA,"PDBC56116","630811","Present",NA,NA
+"56117","[4,5-Diacetyloxy-6-(6-chloro-4-methyl-2,3-dioxopyrrolo[2,3-b]pyridin-1-yl)oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-(6-chloro-4-methyl-2,3-dioxopyrrolo[2,3-b]pyridin-1-yl)oxan-3-yl] acetate",NA,"CC1=CC(=NC2=C1C(=O)C(=O)N2C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)Cl","QIXIALKJNWSAIM-UHFFFAOYSA-N",373129,NA,"PDBC56117","649071","Present",NA,NA
+"56118","[4,5-Diacetyloxy-6-(6-methyl-2-methylsulfanyl-4,7-dioxo-1H-pteridin-8-yl)oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetoxy-6-(6-methyl-2-methylsulfanyl-4,7-dioxo-3H-pteridin-8-yl)tetrahydropyran-3-yl] acetate",NA,"CC1=NC2=C(N=C(NC2=O)SC)N(C1=O)C3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C","OCGCRXHKNHZQSV-UHFFFAOYSA-N",135408971,NA,"PDBC56118","650998","Present",NA,NA
+"56119","[4,5-Diacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[(5-acetyloxy-6-ethyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate",NA,"CCC1=C(C2=C(N=C(N=C2OC1=O)SC)NC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","AEWBSGKCQGZHDE-UHFFFAOYSA-N",363723,NA,"PDBC56119","628883","Present",NA,NA
+"56120","[4,5-Diacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[(5-acetyloxy-6-methyl-2-methylsulfanyl-7-oxopyrano[2,3-d]pyrimidin-4-yl)amino]oxan-3-yl] acetate",NA,"CC1=C(C2=C(N=C(N=C2OC1=O)SC)NC3C(C(C(CO3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","CFNDXBATJOUGHN-UHFFFAOYSA-N",363720,NA,"PDBC56120","628880","Present",NA,NA
+"56121","[4,5-Diacetyloxy-6-[4-[(E)-benzylideneamino]-6-[(E)-2-(4-chlorophenyl)ethenyl]-5-oxo-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[4-[(E)-benzylideneamino]-6-[(E)-2-(4-chlorophenyl)ethenyl]-5-oxo-3-sulfanylidene-1,2,4-triazin-2-yl]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C(=S)N(C(=O)C(=N2)C=CC3=CC=C(C=C3)Cl)N=CC4=CC=CC=C4","AMFGOQIUSJRFSZ-XBHHHXAXSA-N",9572491,NA,"PDBC56121","717713","Present",NA,NA
+"56122","[4,5-Diacetyloxy-6-[5-bromo-2-hydroxy-6-nitro-3-[(4-nitrophenyl)diazenyl]indol-1-yl]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[5-bromo-2-hydroxy-6-nitro-3-[(4-nitrophenyl)diazenyl]indol-1-yl]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=CC(=C(C=C3C(=C2O)N=NC4=CC=C(C=C4)[N+](=O)[O-])Br)[N+](=O)[O-]","XENHEKAJFUNJBR-UHFFFAOYSA-N",373209,NA,"PDBC56122","649176","Present",NA,NA
+"56123","[4,5-Diacetyloxy-6-[5-bromo-3-(carbamothioyldiazenyl)-2-hydroxyindol-1-yl]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[5-bromo-3-(carbamothioyldiazenyl)-2-hydroxyindol-1-yl]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)N2C3=C(C=C(C=C3)Br)C(=C2O)N=NC(=S)N","SSWIIAMBMVJWHL-UHFFFAOYSA-N",3808513,NA,"PDBC56123","649177","Present",NA,NA
+"56124","[4,5-Diacetyloxy-6-[[1-methyl-2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[[1-methyl-2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,"CC(=NC1=C(N=C(N(C1=O)C)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","YQUJLRUXUSYSIY-UHFFFAOYSA-N",360588,NA,"PDBC56124","622763","Present",NA,NA
+"56125","[4,5-Diacetyloxy-6-[[1-methyl-5-[2-[1-methyl-2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]pyrimidin-5-yl]iminoethylideneamino]-2-methylsulfanyl-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[[1-methyl-5-[2-[1-methyl-2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]pyrimidin-5-yl]iminoethylideneamino]-2-methylsulfanyl-6-oxopyrimidin-4-yl]amino]oxan-3-yl] ace",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)SC)C)N=CC=NC3=C(N=C(N(C3=O)C)SC)NC4C(C(C(CO4)OC(=O)C)OC(=O)C)OC(=O)C","HJULKYQQISVSTJ-UHFFFAOYSA-N",360595,NA,"PDBC56125","622770","Present",NA,NA
+"56126","[4,5-Diacetyloxy-6-[[2-methoxy-1-methyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[[2-methoxy-1-methyl-6-oxo-5-(3-oxobutan-2-ylideneamino)pyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,"CC(=NC1=C(N=C(N(C1=O)C)OC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","ZEZPEGRFFYKSBS-UHFFFAOYSA-N",360584,NA,"PDBC56126","622759","Present",NA,NA
+"56127","[4,5-Diacetyloxy-6-[[2-methoxy-5-[2-[2-methoxy-1-methyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]pyrimidin-5-yl]iminoethylideneamino]-1-methyl-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[[2-methoxy-5-[2-[2-methoxy-1-methyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]pyrimidin-5-yl]iminoethylideneamino]-1-methyl-6-oxopyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)N(C(=N2)OC)C)N=CC=NC3=C(N=C(N(C3=O)C)OC)NC4C(C(C(CO4)OC(=O)C)OC(=O)C)OC(=O)C","PTXDBWWEFHDKQS-UHFFFAOYSA-N",360591,NA,"PDBC56127","622766","Present",NA,NA
+"56128","[4,5-Diacetyloxy-6-[[2-methylsulfanyl-5-[2-[[2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]-1H-pyrimidin-5-yl]imino]ethylideneamino]-6-oxo-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[[2-methylsulfanyl-5-[2-[[2-methylsulfanyl-6-oxo-4-[(3,4,5-triacetyloxyoxan-2-yl)amino]-1H-pyrimidin-5-yl]imino]ethylideneamino]-6-oxo-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,"CC(=O)OC1COC(C(C1OC(=O)C)OC(=O)C)NC2=C(C(=O)NC(=N2)SC)N=CC=NC3=C(N=C(NC3=O)SC)NC4C(C(C(CO4)OC(=O)C)OC(=O)C)OC(=O)C","BXMMEHYIGJGYKP-UHFFFAOYSA-N",135483428,NA,"PDBC56128","622768","Present",NA,NA
+"56129","[4,5-Diacetyloxy-6-[[2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-6-[[2-methylsulfanyl-6-oxo-5-(3-oxobutan-2-ylideneamino)-1H-pyrimidin-4-yl]amino]oxan-3-yl] acetate",NA,"CC(=NC1=C(N=C(NC1=O)SC)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C)C(=O)C","BHIGAJQJWPZXJF-UHFFFAOYSA-N",135463879,NA,"PDBC56129","622761","Present",NA,NA
+"56130","[4,5-Diacetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-3-chloro-6-methylnaphthalen-1-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Diacetyloxy-7-[tert-butyl(dimethyl)silyl]oxy-3-chloro-6-methylnaphthalen-1-yl] acetate",NA,"CC1=C(C=C2C(=CC(=C(C2=C1OC(=O)C)OC(=O)C)Cl)OC(=O)C)O[Si](C)(C)C(C)(C)C","ZBBTZXXMGSKHPA-UHFFFAOYSA-N",359523,NA,"PDBC56130","620506","Present",NA,NA
+"56131","[4,5-Dihydroxy-2-[[(5R,8S)-1-hydroxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,5-Dihydroxy-2-[[(5R,8S)-1-hydroxy-3,8-dimethyl-5-[(2S)-6-methylhept-5-en-2-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]oxan-3-yl] acetate",NA,"CC1CCC(C2=C1C(=C(C(=C2)C)OC3C(C(C(CO3)O)O)OC(=O)C)O)C(C)CCC=C(C)C","PMIXPFOPJYZXRM-UJCDBHBTSA-N",404620,NA,"PDBC56131","721048","Present",NA,NA
+"56132","[4,7-Bis[[hydroxy(phenyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-phenyl-phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,7-Bis[[hydroxy(phenyl)phosphoryl]methyl]-1,4,7-triazonan-1-yl]methyl-phenyl-phosphinic acid",NA,"C1CN(CCN(CCN1CP(=O)(C2=CC=CC=C2)O)CP(=O)(C3=CC=CC=C3)O)CP(=O)(C4=CC=CC=C4)O","FLBGYWDTUFNIQU-UHFFFAOYSA-N",376954,NA,"PDBC56132","658154","Present",NA,NA
+"56133","[4,7-Dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,7-Dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methanol",NA,"CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=CC(=C5C(=C4OC)N=C(N5C)CO)OC","LOQPTSXAKNEIJO-UHFFFAOYSA-N",6712701,NA,"PDBC56133","706839","Present",NA,NA
+"56134","[4,7-Dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4,7-Dimethoxy-1-methyl-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]benzimidazol-2-yl]methyl acetate",NA,"CC(=O)OCC1=NC2=C(C(=CC(=C2N1C)OC)C3=NC4=C(N3)C=CC(=N4)N5CCN(CC5)C)OC","BKDOSMQFNDTFQK-UHFFFAOYSA-N",6712700,NA,"PDBC56134","706838","Present",NA,NA
+"56135","[4-(1,3-Dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-2-oxooxolan-3-yl]methyl 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(1,3-Dihydropyrrolo[3,4-b]quinoline-2-carbonyl)-2-oxooxolan-3-yl]methyl 2,2-dimethylpropanoate",NA,"CC(C)(C)C(=O)OCC1C(COC1=O)C(=O)N2CC3=CC4=CC=CC=C4N=C3C2","CXOSVPBPIYWQCY-UHFFFAOYSA-N",374933,NA,"PDBC56135","653547","Present",NA,NA
+"56136","[4-(1-Benzothiophen-2-yl)-4-piperidin-1-ylcyclohexyl]oxy-trimethylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(Benzothiophen-2-yl)-4-(1-piperidyl)cyclohexoxy]-trimethyl-silane",NA,"C[Si](C)(C)OC1CCC(CC1)(C2=CC3=CC=CC=C3S2)N4CCCCC4","JOBAGXWSTPJQSE-UHFFFAOYSA-N",398710,NA,"PDBC56136","708854","Present",NA,NA
+"56137","[4-(1-Hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(1-Hydroxycyclohexyl)-5-oxo-tetrahydrofuran-2-yl]methyl benzoate",NA,"C1CCC(CC1)(C2CC(OC2=O)COC(=O)C3=CC=CC=C3)O","UUEZLOIPRZRQIB-UHFFFAOYSA-N",390941,NA,"PDBC56137","689194","Present",NA,NA
+"56138","[4-(2,2-Dicarbamoylethenyl)phenyl]methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(3-Amino-2-carbamoyl-3-oxoprop-1-en-1-yl)benzyl]phosphonic acid",NA,"C1=CC(=CC=C1CP(=O)(O)O)C=C(C(=O)N)C(=O)N","MGVFZORBJOTHGV-UHFFFAOYSA-N",364980,NA,"PDBC56138","631882","Present",NA,NA
+"56139","[4-(2,2-Dicyanoethenyl)phenyl]methylphosphonic acid;methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(2,2-Dicyanoethenyl)phenyl]methylphosphonic acid;methanol",NA,"CO.C1=CC(=CC=C1CP(=O)(O)O)C=C(C#N)C#N","FRAGFJFPRNRTLW-UHFFFAOYSA-N",364975,NA,"PDBC56139","631878","Present",NA,NA
+"56140","[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]-trimethylazanium;iodide",NA,"CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)[N+](C)(C)C.[I-]","WGTLVZMHEVZMST-UHFFFAOYSA-M",24200574,NA,"PDBC56140","382040","Present",NA,NA
+"56141","[4-(2-Carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(2-Carbamoyl-2-cyanoethenyl)phenyl]methylphosphonic acid",NA,"C1=CC(=CC=C1CP(=O)(O)O)C=C(C#N)C(=O)N","HVEKPXDPQFYBTR-BJMVGYQFSA-N",5388096,NA,"PDBC56141","631879","Present",NA,NA
+"56142","[4-(2-Hydroxyethylsulfamoyl)phenyl]stibonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(2-Hydroxyethylsulfamoyl)phenyl]stibonic acid",NA,"C1=CC(=CC=C1S(=O)(=O)NCCO)[Sb](=O)(O)O","TYYWTSKEHLJBDZ-UHFFFAOYSA-L",224913,NA,"PDBC56142","13776","Present",NA,NA
+"56143","[4-(3,5-Dichlorophenyl)piperazin-1-yl]-(2-ethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(3,5-dichlorophenyl)piperazin-1-yl)(2-ethoxyphenyl)me...",NA,"CCOC1=CC=CC=C1C(=O)N2CCN(CC2)C3=CC(=CC(=C3)Cl)Cl","NSLOWXIBFUYJLC-UHFFFAOYSA-N",155812029,NA,"PDBC56143","794223","Present",NA,NA
+"56144","[4-(3-Bromo-2,4,6-trimethyl-benzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(3-bromo-2,4,6-trimethyl-phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(3-Bromo-2,4,6-trimethylbenzoyl)-5-oxido-1,2,5-oxadiazol-5-ium-3-yl]-(3-bromo-2,4,6-trimethylphenyl)methanone",NA,"CC1=CC(=C(C(=C1C(=O)C2=NO[N+](=C2C(=O)C3=C(C(=C(C=C3C)C)Br)C)[O-])C)Br)C","UQJUSMRDTWBHAG-UHFFFAOYSA-N",286533,NA,"PDBC56144","144990","Present",NA,NA
+"56145","[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone",NA,"C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)C3=CC=CC=C3NC4=CC(=NC=C4)C(F)(F)F","GMKXSKIVGGWGDY-UHFFFAOYSA-N",45027972,NA,"PDBC56145","740363","Present",NA,NA
+"56146","[4-(3-Methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy)-phenyl]-urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(3-methyl-3H-pyrrolo[3,2-f]quinolin-9-yloxy)-phenyl]-...",NA,"CN1C=CC2=C1C=CC3=NC=CC(=C23)OC4=CC=C(C=C4)NC(=O)N","PUMQAPFVZGVEIQ-UHFFFAOYSA-N",406603,NA,"PDBC56146","724817","Present",NA,NA
+"56147","[4-(3-Phenyl-ureido)-benzenesulfonylamino]-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(3-Phenyl-ureido)-benzenesulfonylamino]-acetic acid",NA,"C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)NCC(=O)O","HNQAVERRSLLMAZ-UHFFFAOYSA-N",360258,NA,"PDBC56147","622280","Present",NA,NA
+"56148","[4-(4-Arsono-3-nitrophenyl)phenyl]arsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-13791",NA,"C1=CC(=CC=C1C2=CC(=C(C=C2)[As](=O)(O)O)[N+](=O)[O-])[As](=O)(O)O","IYUVWRYTUIZXSW-UHFFFAOYSA-N",224928,NA,"PDBC56148","13791","Present",NA,NA
+"56149","[4-(4-Chloroanilino)quinazolin-6-yl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC757177",NA,"C1=CC(=CC=C1NC2=NC=NC3=C2C=C(C=C3)NC(=O)N)Cl","YDZATYFCHVJGEI-UHFFFAOYSA-N",71579162,NA,"PDBC56149","757177","Present",NA,NA
+"56150","[4-(4-Cyanatophenoxy)phenyl] cyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cambridge id 5180510",NA,"C1=CC(=CC=C1OC#N)OC2=CC=C(C=C2)OC#N","SNYVZKMCGVGTKN-UHFFFAOYSA-N",371797,NA,"PDBC56150","646241","Present",NA,NA
+"56151","[4-(4-Hydroxyphenyl)phenyl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Q27195907",NA,"C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)O","IURCXIQRULDEEY-UHFFFAOYSA-N",344075,NA,"PDBC56151","400770","Present",NA,NA
+"56152","[4-(4-Iodophenyl)phenyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(4-Iodophenyl)phenyl]phosphonic acid",NA,"C1=CC(=CC=C1C2=CC=C(C=C2)I)P(=O)(O)O","RNMMMUDLNAIZHV-UHFFFAOYSA-N",380766,NA,"PDBC56152","666475","Present",NA,NA
+"56153","[4-(4-Methoxyphenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(4-Methoxyphenyl)piperazin-1-yl]-[2-[[2-(trifluoromethyl)pyridin-4-yl]amino]phenyl]methanone",NA,"COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3NC4=CC(=NC=C4)C(F)(F)F","VKAXZVICTQAAJV-UHFFFAOYSA-N",45027971,NA,"PDBC56153","740362","Present",NA,NA
+"56154","[4-(4-Methylphenyl)-6-oxo-2-phenyl-1,3-dioxin-2-yl]methyl-triphenylphosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{[6-(4-Methylphenyl)-4-oxo-2-phenyl-4h-1,3-dioxin-2-yl]methyl}(triphenyl)phosphonium bromide",NA,"CC1=CC=C(C=C1)C2=CC(=O)OC(O2)(C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.[Br-]","LPZSWNWDEVTVPP-UHFFFAOYSA-M",404235,NA,"PDBC56154","720414","Present",NA,NA
+"56155","[4-(4-Nitrophenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(4-Nitrophenyl)-4,5-dihydro-3h-pyrazol-3-yl](phenyl)methanone",NA,"C1C(C(N=N1)C(=O)C2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]","UZLZXBNRZHPDMM-UHFFFAOYSA-N",244737,NA,"PDBC56155","55849","Present",NA,NA
+"56156","[4-(4-Nitrophenyl)piperazin-1-yl]-(3,6,7-trimethyl-1,4-dioxido-quinoxaline-1,4-diium-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dimethyl-1,4-di-N-oxide-3-methylquinoxalin-2-yl-4-(4...",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]","IERWXMDRVHSQGZ-UHFFFAOYSA-N",404496,NA,"PDBC56156","720732","Present",NA,NA
+"56157","[4-(5,8-Diacetyloxy-1-tetracyclo[6.6.0.02,7.09,14]tetradeca-2(7),3,5,9,11,13-hexaenyl)phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(5,8-Diacetyloxy-1-tetracyclo[6.6.0.02,7.09,14]tetradeca-2(7),3,5,9,11,13-hexaenyl)phenyl] acetate",NA,"CC(=O)OC1=CC=C(C=C1)C23C4=C(C2(C5=CC=CC=C35)OC(=O)C)C=C(C=C4)OC(=O)C","VYVDPFREHHCGMM-UHFFFAOYSA-N",231714,NA,"PDBC56157","28365","Present",NA,NA
+"56158","[4-(6-Amino-1,4,5,6-tetrahydropurin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(6-Amino-1,4,5,6-tetrahydropurin-9-yl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3,2]dioxastannol-6-yl]methanol",NA,"C1=NC2C(C(N1)N)N=CN2C3C4C(C(O3)CO)O[Sn]O4","RBSLPHLABCKFJJ-UHFFFAOYSA-N",16683571,NA,"PDBC56158","634373","Present",NA,NA
+"56159","[4-(6-Benzamidoimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(6-Benzamidoimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate",NA,"CN(C)C(=O)OC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)NC(=O)C4=CC=CC=C4","JZBKYDLKWHUWHY-UHFFFAOYSA-N",398290,NA,"PDBC56159","708004","Present",NA,NA
+"56160","[4-(6-Methoxyimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(6-Methoxyimidazo[1,2-a]pyridin-2-yl)phenyl] N,N-dimethylcarbamate",NA,"CN(C)C(=O)OC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)OC","CCAPFULUTWTQID-UHFFFAOYSA-N",398324,NA,"PDBC56160","708038","Present",NA,NA
+"56161","[4-(Adamantane-1-carbonylamino)phenyl] 4-fluorobenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC774790",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=C(C=C5)F","LLXLLGJJXOHBLG-UHFFFAOYSA-N",155814656,NA,"PDBC56161","774790","Present",NA,NA
+"56162","[4-(Adamantane-1-carbonylamino)phenyl] benzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC772852",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)OS(=O)(=O)C5=CC=CC=C5","NYTJZFKTUQYXEN-UHFFFAOYSA-N",155806561,NA,"PDBC56162","772852","Present",NA,NA
+"56163","[4-(Benzyloxy)benzyl](triphenyl)phosphonium chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC672451",NA,"C1=CC=C(C=C1)COC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]","ZNDBERRZILXTHK-UHFFFAOYSA-M",383834,NA,"PDBC56163","672451","Present",NA,NA
+"56164","[4-(Butylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(Butylcarbamothioyl)phenyl] N-(4-chlorophenyl)carbamate",NA,"CCCCNC(=S)C1=CC=C(C=C1)OC(=O)NC2=CC=C(C=C2)Cl","HZSBVBWPFHOFTA-UHFFFAOYSA-N",5471255,NA,"PDBC56164","710008","Present",NA,NA
+"56165","[4-(Cycloheptylamino)-3-pyridyl]-[3-(trifluoromethyl)phenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(cycloheptylamino)-3-pyridyl]-[3-(trifluoromethyl)phe...",NA,"C1CCCC(CC1)NC2=C(C=NC=C2)C(C3=CC(=CC=C3)C(F)(F)F)O","NWYWQIXOKVJSRB-UHFFFAOYSA-N",155807707,NA,"PDBC56165","800448","Present",NA,NA
+"56166","[4-(Dipropylamino)-2-methylphenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC761220",NA,"CCCN(CCC)C1=CC(=C(C=C1)CO)C","JIVGYPBFIFHROW-UHFFFAOYSA-N",62134178,NA,"PDBC56166","761220","Present",NA,NA
+"56167","[4-(Hydroxymethyl)cuban-1-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(Hydroxymethyl)cuban-1-yl]methanol",NA,"C(C12C3C4C1C5C2C3C45CO)O","AWRJQAGOUMAUGW-UHFFFAOYSA-N",369183,NA,"PDBC56167","640889","Present",NA,NA
+"56168","[4-(Methylcarbamoyloxymethyl)-1-phenyl-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(1-Phenyl-2,5-dihydro-1H-pyrrole-3,4-diyl)dimethanediyl bis(methylcarbamate)",NA,"CNC(=O)OCC1=C(CN(C1)C2=CC=CC=C2)COC(=O)NC","GXRBOBHCNUSHNM-UHFFFAOYSA-N",376892,NA,"PDBC56168","658078","Present",NA,NA
+"56169","[4-(Nitrooxymethyl)phenyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-((nitrooxy)methyl)phenyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CO[N+](=O)[O-]","TXDZRXFMCDVSAZ-UHFFFAOYSA-N",91667526,NA,"PDBC56169","788821","Present",NA,NA
+"56170","[4-(Phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-(Phenylcarbamothioyl)phenyl] N,N-dimethylcarbamate",NA,"CN(C)C(=O)OC1=CC=C(C=C1)C(=S)NC2=CC=CC=C2","WBQVKZOMQRHJAF-UHFFFAOYSA-N",5471256,NA,"PDBC56170","710009","Present",NA,NA
+"56171","[4-(Sulfamoylmethyl)phenyl]arsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-13768",NA,"C1=CC(=CC=C1CS(=O)(=O)N)[As](=O)(O)O","CNVLEABJAAAPQO-UHFFFAOYSA-N",224907,NA,"PDBC56171","13768","Present",NA,NA
+"56172","[4-Acetoxy-5-[5,7-diacetoxy-3-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-2-yl]-2-hydroxy-phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Acetyloxy-2-[5,7-diacetyloxy-3-hydroxy-4-oxo-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-2-yl]-5-hydroxyphenyl] acetate",NA,"CC(=O)OC1=CC(=C(C=C1C2=C(C(=O)C3=C(C(=C(C=C3O2)OC(=O)C)C4C(C(C(C(O4)CO)O)O)O)OC(=O)C)O)OC(=O)C)O","RWDLQIOGIKBJFN-UHFFFAOYSA-N",397378,NA,"PDBC56172","705083","Present",NA,NA
+"56173","[4-Acetyloxy-2-[[[3,4-diacetyloxy-5-[4-(octadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Acetyloxy-2-[[[3,4-diacetyloxy-5-[4-(octadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] acetate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)NC(=O)CCCCCCCCCCCCCCCCC)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C","FEKQTDBMXSGAJQ-UHFFFAOYSA-N",394832,NA,"PDBC56173","698684","Present",NA,NA
+"56174","[4-Acetyloxy-6-[(1S,2S,6R,7S,9S,12S,13R,16R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (2S,3S)-2-hydroxy-3-methylpentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Acetyloxy-6-[(1S,2S,6R,7S,9S,12S,13R,16R)-16-hydroxy-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-18-ene-6,2'-oxane]-14-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-",NA,"CCC(C)C(C(=O)OC1COC(C(C1OC(=O)C)OC2C(C(C(C(O2)C)O)O)O)OC3CC(CC4=CCC5C(C34C)CCC6(C5CC7C6C(C8(O7)CCC(=C)CO8)C)C)O)O","GWYMUKPJMPPUTG-KISXJDFWSA-N",399206,NA,"PDBC56174","709880","Present",NA,NA
+"56175","[4-Acetyloxy-6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-5-hydroxyoxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Acetyloxy-6-[[(4S,6S,6aR,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-5-hydroxyoxan-3-yl] acetate",NA,"CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(CO4)OC(=O)C)OC(=O)C)O)C)C=C(C)C)C","AXXBUCAUNFEVQG-NQHLMHTISA-N",24204968,NA,"PDBC56175","733760","Present",NA,NA
+"56176","[4-Allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Allyloxy-2-(2,2-dimethyl-1,3-dioxolan-4-yl)-5-oxo-2H-furan-3-yl] acetate",NA,"CC(=O)OC1=C(C(=O)OC1C2COC(O2)(C)C)OCC=C","NYGOHPXXZJYJOK-UHFFFAOYSA-N",386045,NA,"PDBC56176","677612","Present",NA,NA
+"56177","[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-(4-methoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Amino-2-[(4-chlorophenyl)amino]thiazol-5-yl]-(4-methoxyphenyl)methanone",NA,"COC1=CC=C(C=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Cl)N","RCEICRISYMHQBI-UHFFFAOYSA-N",399621,NA,"PDBC56177","710530","Present",NA,NA
+"56178","[4-Amino-2-(4-chloroanilino)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Amino-2-[(4-chlorophenyl)amino]thiazol-5-yl]-(2-thienyl)methanone",NA,"C1=CSC(=C1)C(=O)C2=C(N=C(S2)NC3=CC=C(C=C3)Cl)N","SBPHIPNBLYQLAF-UHFFFAOYSA-N",399019,NA,"PDBC56178","709440","Present",NA,NA
+"56179","[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-(furan-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Amino-2-[(4-methoxyphenyl)amino]thiazol-5-yl]-(2-furyl)methanone",NA,"COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CO3)N","LLMKKGKRWBVTBQ-UHFFFAOYSA-N",399017,NA,"PDBC56179","709438","Present",NA,NA
+"56180","[4-Amino-2-(4-methoxyanilino)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Amino-2-[(4-methoxyphenyl)amino]thiazol-5-yl]-(2-thienyl)methanone",NA,"COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CS3)N","WKYZBJBRRCHNQC-UHFFFAOYSA-N",399016,NA,"PDBC56180","709437","Present",NA,NA
+"56181","[4-Amino-2-(ethylamino)-1,3-thiazol-5-yl]-thiophen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Amino-2-ethylamino-thiazol-5-yl)-(2-thienyl)methanone",NA,"CCNC1=NC(=C(S1)C(=O)C2=CC=CS2)N","GHKSTMPIIJPIKN-UHFFFAOYSA-N",399614,NA,"PDBC56181","710523","Present",NA,NA
+"56182","[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Amino-6-(3,5,5-trimethyl-4H-pyrazol-1-yl)-1,3,5-triazin-2-yl]methanol",NA,"CC1=NN(C(C1)(C)C)C2=NC(=NC(=N2)N)CO","VTBPUJLGDBFADD-UHFFFAOYSA-N",389990,NA,"PDBC56182","686784","Present",NA,NA
+"56183","[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methanethiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-Amino-6-dimethylamino-1,3,5-triazin-2-yl)methanethiol",NA,"CN(C)C1=NC(=NC(=N1)N)CS","NMNFODOEPVKFAU-UHFFFAOYSA-N",389997,NA,"PDBC56183","686792","Present",NA,NA
+"56184","[4-Benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxypropoxy]phosphinothioyl]oxymethyl]-5-(4-imino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(4-Amino-2-oxopyrimidin-1-yl)-4-benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]phosphinothioyl]oxymethyl]oxolan-3-yl] benzoate",NA,"CC(=O)OCC1C(C(C(C(O1)OCCCOP(=S)(OCCC#N)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)OC(=O)C","DBFSYRXOCMSEEQ-UHFFFAOYSA-N",393717,NA,"PDBC56184","696235","Present",NA,NA
+"56185","[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate",NA,"CCCC(=O)OC1C(OC(C1F)N2C=C(C(=O)NC2=O)F)CO","QMRFHWKESJIABD-UHFFFAOYSA-N",380992,NA,"PDBC56185","666869","Present",NA,NA
+"56186","[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Fluoro-5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate",NA,"CCCC(=O)OCC1C(C(C(O1)N2C=C(C(=O)NC2=O)F)F)O","DBWPUCRQGKRNEA-UHFFFAOYSA-N",380993,NA,"PDBC56186","666870","Present",NA,NA
+"56187","[4-Hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-3-yl] [5-(4-imino-2-oxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(4-Amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl [4-hydroxy-2-(hydroxymethyl)-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-3-yl] hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)CO)OP(=O)(O)OCC3CCC(O3)N4C=CC(=NC4=O)N)O","NBBAJTRSYAVHBK-UHFFFAOYSA-N",395196,NA,"PDBC56187","699499","Present",NA,NA
+"56188","[4-Hydroxy-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Hydroxy-2-(hydroxymethyl)-5-oxooxolan-3-yl] tetradecanoate",NA,"CCCCCCCCCCCCCC(=O)OC1C(OC(=O)C1O)CO","JJZWVAMXZUFLMG-UHFFFAOYSA-N",360094,NA,"PDBC56188","621944","Present",NA,NA
+"56189","[4-Methoxy-2-(trifluoromethyl)phenyl]-phenothiazin-10-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC780569",NA,"COC1=CC(=C(C=C1)C(=O)N2C3=CC=CC=C3SC4=CC=CC=C42)C(F)(F)F","FEKQREDSRFJAMD-UHFFFAOYSA-N",127053174,NA,"PDBC56189","780569","Present",NA,NA
+"56190","[4-Methyl-4-(p-tolyl)-2,5-dithioxo-imidazolidin-1-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Methyl-4-(p-tolyl)-2,5-dithioxo-imidazolidin-1-yl]thiourea",NA,"CC1=CC=C(C=C1)C2(C(=S)N(C(=S)N2)NC(=S)N)C","OLLKVWNYRQLLGO-UHFFFAOYSA-N",3001341,NA,"PDBC56190","648802","Present",NA,NA
+"56191","[4-Oxido-1-oxo-3,6-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,6-di(trifluoromethyl)-2-(thien-2-ylcarbonyl)quinoxalin...",NA,"C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=CC(=C3)C(F)(F)F)[O-])C(F)(F)F","QCDYYHPFNWFQLO-UHFFFAOYSA-N",23635528,NA,"PDBC56191","740109","Present",NA,NA
+"56192","[4-Oxido-1-oxo-3,7-bis(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3,7-di(trifluoromethyl)-2-(thien-2-ylcarbonyl)quioxaline...",NA,"C1=CSC(=C1)C(=O)C2=C(N(C3=C([N+]2=O)C=C(C=C3)C(F)(F)F)[O-])C(F)(F)F","KQNAKEWNMALXGU-UHFFFAOYSA-N",23635527,NA,"PDBC56192","740383","Present",NA,NA
+"56193","[4-[(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(1,2,3-Trihydroxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)carbamoyl]phenyl] acetate",NA,"CC(=O)OC1=CC=C(C=C1)C(=O)NC2CCC3=CC(=C(C(=C3C4=CC=C(C(=O)C=C24)SC)O)O)O","UISZIKHQQVAHJY-UHFFFAOYSA-N",369941,NA,"PDBC56193","642308","Present",NA,NA
+"56194","[4-[(1E,4E)-5-(4-Boronophenyl)-3-oxopenta-1,4-dienyl]phenyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4,4'-((1E,4E)-3-oxopenta-1,4-diene-1,5-diyl)bis(4,1-phen...",NA,"B(C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)B(O)O)(O)O","KLFTZCHGPALTGW-YDWXAUTNSA-N",155816227,NA,"PDBC56194","777095","Present",NA,NA
+"56195","[4-[(2E,4E,6Z)-6-(4-Ethoxythiochromen-2-ylidene)hexa-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;tetrafluoroborate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(2E,4E,6Z)-6-(4-Ethoxythiochromen-2-ylidene)hexa-2,4-dienylidene]cyclohexa-2,5-dien-1-ylidene]-dimethylazanium;tetrafluoroborate",NA,NA,NA,NA,NA,"PDBC56195","631074","Present",NA,NA
+"56196","[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-(4-chlorophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-(4-chlorophenyl)carbamate",NA,"C1=CC(=CC=C1C(=S)NC2=CC=C(C=C2)Br)OC(=O)NC3=CC=C(C=C3)Cl","NIKKEIBIEAZGLU-UHFFFAOYSA-N",5471250,NA,"PDBC56196","710003","Present",NA,NA
+"56197","[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-methylcarbamate",NA,"CNC(=O)OC1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)Br","LDRZPLZTLYXXKX-UHFFFAOYSA-N",5471252,NA,"PDBC56197","710005","Present",NA,NA
+"56198","[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(4-Bromophenyl)carbamothioyl]phenyl] N-phenylcarbamate",NA,"C1=CC=C(C=C1)NC(=O)OC2=CC=C(C=C2)C(=S)NC3=CC=C(C=C3)Br","CGMGROHOYMTVDS-UHFFFAOYSA-N",5471257,NA,"PDBC56198","710010","Present",NA,NA
+"56199","[4-[(4-Methylphenyl)diazenyl]-7-oxocyclohepta-1,3,5-trien-1-yl] 2-methylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-[(e)-(4-Methylphenyl)diazenyl]-7-oxocyclohepta-1,3,5-trien-1-yl 2-methylprop-2-enoate",NA,"CC1=CC=C(C=C1)N=NC2=CC=C(C(=O)C=C2)OC(=O)C(=C)C","MRYNEXGYUVXVKV-UHFFFAOYSA-N",254859,NA,"PDBC56199","79559","Present",NA,NA
+"56200","[4-[(E)-(2-Nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{4-[(E)-(2-Nitrophenyl)diazenyl]-3,5-diphenyl-1H-pyrazol-1-yl}(pyridin-4-yl)methanone",NA,"C1=CC=C(C=C1)C2=C(C(=NN2C(=O)C3=CC=NC=C3)C4=CC=CC=C4)N=NC5=CC=CC=C5[N+](=O)[O-]","PSPUIRZKSLZWMI-UHFFFAOYSA-N",372608,NA,"PDBC56200","647969","Present",NA,NA
+"56201","[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(3,4-dichlorophenyl)prop-2-enoate",NA,"C1CCC(=O)C(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC(=C(C=C3)Cl)Cl)C1","RVIFAECUDAUOTE-ODXROTIPSA-N",5938082,NA,"PDBC56201","693441","Present",NA,NA
+"56202","[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate",NA,"C1CCC(=O)C(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)Cl)C1","VRLAEWGWDYSYDC-ZUJOODJSSA-N",5918411,NA,"PDBC56202","693439","Present",NA,NA
+"56203","[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-(2-Oxocyclohexylidene)methyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate",NA,"COC1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C=C3CCCCC3=O","LDFGUVNKVKIFDO-ZREKFDDQSA-N",5922684,NA,"PDBC56203","693440","Present",NA,NA
+"56204","[4-[(E)-(4-Nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-(4-Nitrophenyl)azo]-3,5-diphenyl-pyrazol-1-yl]-(4-pyridyl)methanone",NA,"C1=CC=C(C=C1)C2=C(C(=NN2C(=O)C3=CC=NC=C3)C4=CC=CC=C4)N=NC5=CC=C(C=C5)[N+](=O)[O-]","DMHDMJPCTDUJQH-UHFFFAOYSA-N",372607,NA,"PDBC56204","647968","Present",NA,NA
+"56205","[4-[(E)-(Carbamothioylhydrazono)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridyl]oxy-chloro-nickel",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-(Carbamothioylhydrazono)methyl]-5-(hydroxymethyl)-2-methyl-3-pyridyl]oxy-chloro-nickel",NA,NA,NA,NA,NA,"PDBC56205","613667","Present",NA,NA
+"56206","[4-[(E)-2-Phenyl-1-[4-(2-piperidin-1-ylethoxy)phenyl]prop-1-enyl]phenyl] N-hexylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(~{E})-2-phenyl-1-[4-[2-(1-piperidyl)ethoxy]phenyl]p...",NA,"CCCCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)C2=CC=CC=C2)C3=CC=C(C=C3)OCCN4CCCCC4","UNIFSAKSHJWPOQ-CDSHQWRTSA-N",155810225,NA,"PDBC56206","797676","Present",NA,NA
+"56207","[4-[(E)-3-(3-Hydroxy-4-methoxyphenyl)prop-2-enoyl]phenyl]boronic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(E)-4-(3-(3-hydroxy-4-methoxyphenyl)acryloyl)phenylboron...",NA,"B(C1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C=C2)OC)O)(O)O","NQCNOAKPHBXAKX-KRXBUXKQSA-N",155806629,NA,"PDBC56207","777096","Present",NA,NA
+"56208","[4-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate",NA,"C1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C(=O)C=CC3=CC=C(C=C3)Cl","USUVUSDICXDFMW-GONBZBRSSA-N",6290176,NA,"PDBC56208","689964","Present",NA,NA
+"56209","[4-[(E)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-3-(4-Methoxyphenyl)prop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate",NA,"COC1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3","LETXSODMMNFWLG-BEQMOXJMSA-N",5908528,NA,"PDBC56209","689965","Present",NA,NA
+"56210","[4-[(E)-3-Phenylprop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-3-Phenylprop-2-enoyl]phenyl] (E)-3-phenylprop-2-enoate",NA,"C1=CC=C(C=C1)C=CC(=O)C2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3","XQZXRYFHQGNJJS-JYFOCSDGSA-N",5934069,NA,"PDBC56210","689963","Present",NA,NA
+"56211","[4-[(E)-[(3E)-2-Oxo-3-[[4-[(Z)-3-phenylprop-2-enoyl]oxyphenyl]methylidene]cyclohexylidene]methyl]phenyl] (Z)-3-phenylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-[(3E)-2-Oxo-3-[[4-[(Z)-3-phenylprop-2-enoyl]oxyphenyl]methylidene]cyclohexylidene]methyl]phenyl] (Z)-3-phenylprop-2-enoate",NA,"C1CC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C=CC5=CC=CC=C5)C1","VJNNIRPNLDZGOG-DJUVNNEMSA-N",54608513,NA,"PDBC56211","693444","Present",NA,NA
+"56212","[4-[(E)-[(3E)-3-[[4-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]oxyphenyl]methylene]-2-oxo-cyclohexylidene]methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-[(3E)-3-[[4-[(E)-3-(4-Chlorophenyl)prop-2-enoyl]oxyphenyl]methylidene]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate",NA,"C1CC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=C(C=C3)Cl)C(=O)C(=CC4=CC=C(C=C4)OC(=O)C=CC5=CC=C(C=C5)Cl)C1","TXTHEKPPALCTIX-IPOVBHIJSA-N",5977765,NA,"PDBC56212","699694","Present",NA,NA
+"56213","[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclohexylidene]methyl]phenyl] (E)-3-phenylprop-2-enoate;hydrochloride",NA,"CN(C)CC1CCCC(=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3)C1=O.Cl","DOOBVHPLQUNJTR-AIPOIGJLSA-N",5351440,NA,"PDBC56213","697443","Present",NA,NA
+"56214","[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclopentylidene]methyl]-2-methoxyphenyl] benzoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[[4-(benzoyloxy)-3-methoxyphenyl] meth...",NA,"CN(C)CC1CCC(=CC2=CC(=C(C=C2)OC(=O)C3=CC=CC=C3)OC)C1=O.Cl","ZORIDTSLJBDWTB-PUBYZPQMSA-N",6516825,NA,"PDBC56214","639518","Present",NA,NA
+"56215","[4-[(E)-[3-[(Dimethylamino)methyl]-2-oxocyclopentylidene]methyl]phenoxy]methyl propanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cyclopentanone, 2-[(dimethylamino)methyl]-5- [[4-[(propi...",NA,"CCC(=O)OCOC1=CC=C(C=C1)C=C2CCC(C2=O)CN(C)C.Cl","MORPKCHZPIUPET-KRWCAOSLSA-N",50988761,NA,"PDBC56215","639514","Present",NA,NA
+"56216","[4-[(S)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]phenyl]-piperidin-1-ylmethanone;oxalic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(S)-[(2S,5R)-2,5-Dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]phenyl]-piperidin-1-ylmethanone;oxalic acid",NA,"CC1CN(C(CN1C(C2=CC=C(C=C2)C(=O)N3CCCCC3)C4=CC(=CC=C4)OC)C)CC=C.C(=O)(C(=O)O)O","VIHREGITVXSMDG-COPRQCRLSA-N",398674,NA,"PDBC56216","708824","Present",NA,NA
+"56217","[4-[(Z)-(2-Acetamidofluoren-9-ylidene)methyl]phenyl]-trimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(9-(4-(trimethylamino)benzylidene)-9H-fluoren-2-yl)ace...",NA,"CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3C2=CC4=CC=C(C=C4)[N+](C)(C)C.[I-]","OLOCRXQYWJSDSC-QLENHXGTSA-N",5351711,NA,"PDBC56217","24037","Present",NA,NA
+"56218","[4-[(Z)-1-[4-[2-(Diethylamino)ethoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenyl] N-benzylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[({Z})-1-[4-[2-(diethylamino)ethoxy]phenyl]-3-(4-meth...",NA,"CCN(CC)CCOC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC(=O)NCC4=CC=CC=C4","FIROTQROYZWXTK-DKJXEYTPSA-N",155810139,NA,"PDBC56218","798069","Present",NA,NA
+"56219","[4-[(Z)-1-[4-[3-(Dimethylamino)propoxy]phenyl]-3-(4-methoxyphenyl)-2-methylprop-1-enyl]phenyl] N-hexylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[({Z})-1-[4-[3-(dimethylamino)propoxy]phenyl]-3-(4-me...",NA,"CCCCCCNC(=O)OC1=CC=C(C=C1)C(=C(C)CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)OCCCN(C)C","ATTLAIRXORIGFJ-YLHCSOALSA-N",155808939,NA,"PDBC56219","798060","Present",NA,NA
+"56220","[4-[(Z)-2-(3,4,5-Trimethoxyphenyl)ethenyl]phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Z) 4-Acetoxy-3',4',5'-trimethoxystilbene",NA,"CC(=O)OC1=CC=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC","SYAOAXJVQVJDPD-WAYWQWQTSA-N",5388778,NA,"PDBC56220","638497","Present",NA,NA
+"56221","[4-[(Z)-2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenyl] 2,2-dimethylpropanoate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(Z)-2-Chloro-1-[4-[2-(dimethylamino)ethoxy]phenyl]-2-(4-methoxyphenyl)ethenyl]phenyl] 2,2-dimethylpropanoate;hydrochloride",NA,"CC(C)(C)C(=O)OC1=CC=C(C=C1)C(=C(C2=CC=C(C=C2)OC)Cl)C3=CC=C(C=C3)OCCN(C)C.Cl","JWRZOBQVDIBQCV-LXCLTORNSA-N",5466855,NA,"PDBC56221","644616","Present",NA,NA
+"56222","[4-[(Z)-[(2E)-2-Acetylimino-1-[(Z)-(2,4-dioxochroman-3-ylidene)methyl]-3-methyl-5-oxo-imidazolidin-4-ylidene]methyl]phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[(Z)-[2-Acetylimino-1-[(Z)-(2,4-dioxochromen-3-ylidene)methyl]-3-methyl-5-oxoimidazolidin-4-ylidene]methyl]phenyl] acetate",NA,"CC(=O)N=C1N(C(=CC2=CC=C(C=C2)OC(=O)C)C(=O)N1C=C3C(=O)C4=CC=CC=C4OC3=O)C","SIFWQOSFAYNWCR-YTCVKNLFSA-N",9574812,NA,"PDBC56222","658495","Present",NA,NA
+"56223","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2,2-dimethylpropanoate;iodide",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)C(C)(C)C.[I-]","UOQWNJZTEKGMCJ-UHFFFAOYSA-N",376928,NA,"PDBC56223","658099","Present",NA,NA
+"56224","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-ethylbutanoate;iodide",NA,"CCC(CC)C(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","YVXWVOAOXNCUGJ-UHFFFAOYSA-N",376934,NA,"PDBC56224","658102","Present",NA,NA
+"56225","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-methylpropanoate;iodide",NA,"CC(C)C(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","SFZRAPHJJZTXRR-UHFFFAOYSA-N",376926,NA,"PDBC56225","658098","Present",NA,NA
+"56226","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 2-phenylacetate;iodide",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)CC4=CC=CC=C4.[I-]","UWXRCCFGVCZVMY-UHFFFAOYSA-N",376920,NA,"PDBC56226","658095","Present",NA,NA
+"56227","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3,3-dimethylbutanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3,3-dimethylbutanoate;iodide",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)CC(C)(C)C.[I-]","GBTLJPXIFNUGBK-UHFFFAOYSA-N",376932,NA,"PDBC56227","658101","Present",NA,NA
+"56228","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl 3-methylbutanoate;iodide",NA,"CC(C)CC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","OSTSRYIENYLVOS-UHFFFAOYSA-N",376930,NA,"PDBC56228","658100","Present",NA,NA
+"56229","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl butanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl butanoate;iodide",NA,"CCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","QJPAPOFVLRGBOK-UHFFFAOYSA-N",376940,NA,"PDBC56229","658107","Present",NA,NA
+"56230","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclohexanecarboxylate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclohexanecarboxylate;iodide",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)C4CCCCC4.[I-]","RDBNSTAXGFIDMC-UHFFFAOYSA-N",376922,NA,"PDBC56230","658096","Present",NA,NA
+"56231","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl cyclopropanecarboxylate;iodide",NA,"CC(C)NC(=O)OCC1=C2CCCN2C(=C1COC(=O)NC(C)C)C3=CC=[N+](C=C3)COC(=O)C4CC4.[I-]","OUTXLIVXOULASJ-UHFFFAOYSA-N",376924,NA,"PDBC56231","658097","Present",NA,NA
+"56232","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl heptanoate;iodide",NA,"CCCCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","LUYWSGDFNPTPIK-UHFFFAOYSA-N",24202442,NA,"PDBC56232","658104","Present",NA,NA
+"56233","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl hexanoate;iodide",NA,"CCCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","XRWGMNFIOSSSNG-UHFFFAOYSA-N",376938,NA,"PDBC56233","658105","Present",NA,NA
+"56234","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl octanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl octanoate;iodide",NA,"CCCCCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","MHLVALSEYAFMST-UHFFFAOYSA-N",376936,NA,"PDBC56234","658103","Present",NA,NA
+"56235","[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1,2-Bis(propan-2-ylcarbamoyloxymethyl)-6,7-dihydro-5H-pyrrolizin-3-yl]pyridin-1-ium-1-yl]methyl pentanoate;iodide",NA,"CCCCC(=O)OC[N+]1=CC=C(C=C1)C2=C(C(=C3N2CCC3)COC(=O)NC(C)C)COC(=O)NC(C)C.[I-]","BBAJSZQIFKAJBO-UHFFFAOYSA-N",24202443,NA,"PDBC56235","658106","Present",NA,NA
+"56236","[4-[1-(4-Benzoyloxy-3,5-dichlorophenyl)cyclohexyl]-2,6-dichlorophenyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1-(4-Benzoyloxy-3,5-dichlorophenyl)cyclohexyl]-2,6-dichlorophenyl] benzoate",NA,"C1CCC(CC1)(C2=CC(=C(C(=C2)Cl)OC(=O)C3=CC=CC=C3)Cl)C4=CC(=C(C(=C4)Cl)OC(=O)C5=CC=CC=C5)Cl","IMXAUQWFHVVJJB-UHFFFAOYSA-N",401671,NA,"PDBC56236","715401","Present",NA,NA
+"56237","[4-[1-(Naphthalene-1-carbonyl)piperidin-4-yl]piperidin-1-yl]-naphthalen-1-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[1-(Naphthalene-1-carbonyl)piperidin-4-yl]piperidin-1-yl]-naphthalen-1-ylmethanone",NA,"C1CN(CCC1C2CCN(CC2)C(=O)C3=CC=CC4=CC=CC=C43)C(=O)C5=CC=CC6=CC=CC=C65","CBKLRDHNXGUJES-UHFFFAOYSA-N",364100,NA,"PDBC56237","629741","Present",NA,NA
+"56238","[4-[2,3,5,6-Tetraacetyloxy-4-[2,4-diacetyloxy-3,11a-di(butan-2-yl)-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]phenyl]phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[2,3,5,6-Tetraacetyloxy-4-[2,4-diacetyloxy-3,11a-di(butan-2-yl)-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]phenyl]phenyl] acetate",NA,"CCC(C)C1=C([N+]2(C(C(=O)N1OC(=O)C)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)OC(=O)C)OC(=O)C)C(C)CC)[O-])OC(=O)C","XJNAEQGZDXDILG-UHFFFAOYSA-N",404982,NA,"PDBC56238","721622","Present",NA,NA
+"56239","[4-[2,3-Diacetyloxy-4-[3,11a-di(butan-2-yl)-2,4-dihydroxy-5-oxido-1-oxopyrazino[1,2-b][1,4,2]benzodioxazin-5-ium-9-yl]-5,6-dihydroxyphenyl]phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC720789///NSC720790",NA,"CCC(C)C1=C([N+]2(C(C(=O)N1O)(OC3=C(O2)C=CC(=C3)C4=C(C(=C(C(=C4OC(=O)C)OC(=O)C)C5=CC=C(C=C5)OC(=O)C)O)O)C(C)CC)[O-])O","ULLCSSTZNGODKE-UHFFFAOYSA-N",404541,NA,"PDBC56239","720789///720790","Present",NA,NA
+"56240","[4-[2,8-Bis(3,5-dibromophenyl)pyrido[2,3-b][1,8]naphthyridin-5-yl]phenyl]-trimethylsilane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[2,8-Bis(3,5-dibromophenyl)pyrido[2,3-b][1,8]naphthyridin-5-yl]phenyl]-trimethylsilane",NA,"C[Si](C)(C)C1=CC=C(C=C1)C2=C3C=CC(=NC3=NC4=C2C=CC(=N4)C5=CC(=CC(=C5)Br)Br)C6=CC(=CC(=C6)Br)Br","FGVVIYYLAPLBHV-UHFFFAOYSA-N",395734,NA,"PDBC56240","700534","Present",NA,NA
+"56241","[4-[2-[10-[2-[4-(4-Chlorobenzoyl)phenoxy]ethylsulfanyl]decylsulfanyl]ethoxy]phenyl]-(4-chlorophenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(4-(2-((10-((2-(4-(4-Chlorobenzoyl)phenoxy)ethyl)thio)decyl)thio)ethoxy)phenyl)(4-chlorophenyl)methanone",NA,"C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Cl)OCCSCCCCCCCCCCSCCOC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)Cl","QWOFFZNZBNSDPE-UHFFFAOYSA-N",371312,NA,"PDBC56241","645386","Present",NA,NA
+"56242","[4-[3-Ethoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl] 2,4-dimethoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[3-Ethoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl] 2,4-dimethoxybenzoate",NA,"CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)OC)OC)NC(=O)C(F)(F)F","RHPRZCIGEXIAFY-UHFFFAOYSA-N",400739,NA,"PDBC56242","713170","Present",NA,NA
+"56243","[4-[3-Ethoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl] 4-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[3-Ethoxy-3-oxo-2-[(2,2,2-trifluoroacetyl)amino]propyl]phenyl] 4-methoxybenzoate",NA,"CCOC(=O)C(CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OC)NC(=O)C(F)(F)F","QQLGGJVWQHSYBP-UHFFFAOYSA-N",400738,NA,"PDBC56243","713169","Present",NA,NA
+"56244","[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] benzoate",NA,"CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NCC(=O)N)NC(=O)C(CC2=CC=C(C=C2)OC(=O)C3=CC=CC=C3)NC(=O)OC(C)(C)C","SJYDNUGCKUNGTE-UHFFFAOYSA-N",6712839,NA,"PDBC56244","716698","Present",NA,NA
+"56245","[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] pentanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[3-[[1-[[1-[(2-Amino-2-oxoethyl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]phenyl] pentanoate",NA,"CCCCC(=O)OC1=CC=C(C=C1)CC(C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)N)NC(=O)OC(C)(C)C","UEAVVEHNSUYIGM-UHFFFAOYSA-N",6712838,NA,"PDBC56245","716697","Present",NA,NA
+"56246","[4-[3-[[2-[[2-[[1-(Benzyloxycarbonylamino)-2-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethyl]amino]-2-(tert-butoxycarbonylamino)-3-oxo-propyl]phenyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-oxo-3-[[1-oxo-1-[[2-oxo-2-[[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]propan-2-yl]amino]propyl]phenyl] benzoate",NA,"CC(C(=O)NCC(=O)NC(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OC(=O)C4=CC=CC=C4)NC(=O)OC(C)(C)C","GYMQNMPRWGBGKX-UHFFFAOYSA-N",382343,NA,"PDBC56246","669812","Present",NA,NA
+"56247","[4-[4-(Sulfanylmethyl)phenyl]phenyl]methanethiol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,1'-Biphenyl, 4,4'bis(thiomethyl)-",NA,"C1=CC(=CC=C1CS)C2=CC=C(C=C2)CS","XFHIDPOTWOFDEM-UHFFFAOYSA-N",373780,NA,"PDBC56247","650744","Present",NA,NA
+"56248","[4-[6-(Methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[6-(Methylamino)imidazo[1,2-a]pyridin-2-yl]phenyl] N,N-dimethylcarbamate",NA,"CNC1=CN2C=C(N=C2C=C1)C3=CC=C(C=C3)OC(=O)N(C)C","QZRJZBQJBAQFKI-UHFFFAOYSA-N",398314,NA,"PDBC56248","708028","Present",NA,NA
+"56249","[4-[6-(Methylcarbamoyloxy)imidazo[1,2-a]pyridin-2-yl]phenyl] N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[4-(Methylcarbamoyloxy)phenyl]imidazo[2,1-f]pyridin-6-yl] n-methylcarbamate",NA,"CNC(=O)OC1=CC=C(C=C1)C2=CN3C=C(C=CC3=N2)OC(=O)NC","DHHHNNMKGBRDRQ-UHFFFAOYSA-N",398289,NA,"PDBC56249","708003","Present",NA,NA
+"56250","[4-[Amino(carboxy)methyl]phenyl]-trimethylazanium;chloride;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC42325",NA,"C[N+](C)(C)C1=CC=C(C=C1)C(C(=O)O)N.Cl.[Cl-]","LWVIEOCPDXXZCI-UHFFFAOYSA-N",24185732,NA,"PDBC56250","42325","Present",NA,NA
+"56251","[4-[Benzyl(ethyl)amino]-2-chlorophenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763134",NA,"CCN(CC1=CC=CC=C1)C2=CC(=C(C=C2)CO)Cl","RBCJPGWVCSONPZ-UHFFFAOYSA-N",108293679,NA,"PDBC56251","763134","Present",NA,NA
+"56252","[4-[Benzyl(methyl)amino]-2-chlorophenyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC763133",NA,"CN(CC1=CC=CC=C1)C2=CC(=C(C=C2)CO)Cl","CQTYZIMHKLUSPG-UHFFFAOYSA-N",108293649,NA,"PDBC56252","763133","Present",NA,NA
+"56253","[4-[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]carbamoyl]phenyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[[(5S,8Ar,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl]carbamoyl]phenyl] acetate",NA,"CC(=O)OC1=CC=C(C=C1)C(=O)NC2C3COC(=O)C3C(C4=CC5=C(C=C24)OCO5)C6=CC(=C(C(=C6)OC)O)OC","HACZACBRPGFKJN-BSAOIWFSSA-N",369924,NA,"PDBC56253","642291","Present",NA,NA
+"56254","[4-[[2-(1-Ethoxyindol-2-yl)-1,3-dioxolan-2-yl]methyl]piperidin-1-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[[2-(1-Ethoxyindol-2-yl)-1,3-dioxolan-2-yl]methyl]-1-piperidyl]-phenyl-methanone",NA,"CCON1C2=CC=CC=C2C=C1C3(OCCO3)CC4CCN(CC4)C(=O)C5=CC=CC=C5","JHLDIXUZPSNKGX-UHFFFAOYSA-N",398269,NA,"PDBC56254","707983","Present",NA,NA
+"56255","[4-[[2-(1H-Indol-2-yl)-1,3-dioxolan-2-yl]methyl]piperidin-1-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[[2-(1h-Indol-2-yl)-1,3-dioxolan-2-yl]methyl]-1-piperidyl]-phenyl-methanone",NA,"C1CN(CCC1CC2(OCCO2)C3=CC4=CC=CC=C4N3)C(=O)C5=CC=CC=C5","UUEFOWLBMYCSFM-UHFFFAOYSA-N",398268,NA,"PDBC56255","707982","Present",NA,NA
+"56256","[4-[[3-(Propanoylamino)phenyl]iminomethyl]phenyl] (Z)-3-phenylprop-2-enoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[[3-(Propanoylamino)phenyl]iminomethyl]phenyl] (Z)-3-phenylprop-2-enoate",NA,"CCC(=O)NC1=CC(=CC=C1)N=CC2=CC=C(C=C2)OC(=O)C=CC3=CC=CC=C3","RWRXELIVFRELIN-VSQCLKLISA-N",5472092,NA,"PDBC56256","716229","Present",NA,NA
+"56257","[4-[[3-[(4-Azanidylsulfonylphenyl)diazenyl]-8-[(2,2-dichloroacetyl)amino]-4-(2,2-dichloroacetyl)oxynaphthalen-1-yl]diazenyl]phenyl]sulfonylazanide;3,4-dimethyl-5H-1,2-oxazol-5-ide;silver",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[[3-[(4-Azanidylsulfonylphenyl)diazenyl]-8-[(2,2-dichloroacetyl)amino]-4-(2,2-dichloroacetyl)oxynaphthalen-1-yl]diazenyl]phenyl]sulfonylazanide;3,4-dimethyl-5H-1,2-oxazol-5-ide;silver",NA,"CC1=[C-]ON=C1C.CC1=[C-]ON=C1C.C1=CC2=C(C(=C1)NC(=O)C(Cl)Cl)C(=CC(=C2OC(=O)C(Cl)Cl)N=NC3=CC=C(C=C3)S(=O)(=O)[NH-])N=NC4=CC=C(C=C4)S(=O)(=O)[NH-].[Ag].[Ag]","OXNPTLFTKQGULA-UHFFFAOYSA-M",328256,NA,"PDBC56257","306393","Present",NA,NA
+"56258","[4-[[4-[4-(3-Azidophenothiazin-10-yl)butyl]piperazin-1-yl]methyl]phenyl]-phenylmethanone;(Z)-but-2-enedioic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-Azido-10-[4-(4-(4-benzoylphenyl)methyl)-1-piperazinyl)...",NA,"C1CN(CCN1CCCCN2C3=C(C=C(C=C3)N=[N+]=[N-])SC4=CC=CC=C42)CC5=CC=C(C=C5)C(=O)C6=CC=CC=C6.C(=CC(=O)O)C(=O)O","CJWASMAFDPOOMA-BTJKTKAUSA-N",5351430,NA,"PDBC56258","676963","Present",NA,NA
+"56259","[4-[[6,7-Difluoro-2-(ethoxycarbonyl)quinoxaline-3-yl]amino]phenyl]acetic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[[6,7-Difluoro-2-(ethoxycarbonyl)quinoxaline-3-yl]amino]phenyl]acetic acid ethyl ester",NA,"CCOC(=O)CC1=CC=C(C=C1)NC2=NC3=CC(=C(C=C3N=C2C(=O)OCC)F)F","JALCIRXCHWRWTH-UHFFFAOYSA-N",401468,NA,"PDBC56259","715126","Present",NA,NA
+"56260","[4-[[Dimethyl(octadecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octadecylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[[Dimethyl(octadecyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octadecylazanium;bromide",NA,"CCCCCCCCCCCCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]","KKQARPHWCOELTF-UHFFFAOYSA-M",361976,NA,"PDBC56260","625458","Present",NA,NA
+"56261","[4-[[Dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-[[Dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octylazanium;bromide",NA,"CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCC.[Br-]","ABSPSMBFONJZPC-UHFFFAOYSA-M",361972,NA,"PDBC56261","625456","Present",NA,NA
+"56262","[5'-[(E)-Hydroxyiminomethyl]-2,2'-spirobi[1,3-dihydroindene]-5-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5'-[(E)-Hydroxyiminomethyl]-2,2'-spirobi[1,3-dihydroindene]-5-yl]methanol",NA,"C1C2=C(CC13CC4=C(C3)C=C(C=C4)C=NO)C=C(C=C2)CO","CHDRZHBBGGMLPG-RGVLZGJSSA-N",9556171,NA,"PDBC56262","670425","Present",NA,NA
+"56263","[5-(1,2-Dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2-O-Isopropylidene-.alpha.-D-glucofuranose-3-O-butyrate",NA,"CCCC(=O)OC1C2C(OC1C(CO)O)OC(O2)(C)C","WFVFQUPBGWFLMB-UHFFFAOYSA-N",364487,NA,"PDBC56263","630832","Present",NA,NA
+"56264","[5-(1-Adamantyl)-2-benzyl-benzimidazol-1-yl]-phenyl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(1-Adamantyl)-2-benzyl-benzimidazol-1-yl]-phenyl-methanone",NA,"C1C2CC3CC1CC(C2)(C3)C4=CC5=C(C=C4)N(C(=N5)CC6=CC=CC=C6)C(=O)C7=CC=CC=C7","DIVXMTQBAPMJPI-UHFFFAOYSA-N",394401,NA,"PDBC56264","697860","Present",NA,NA
+"56265","[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1,2,5,6-di-O-isopropylidene-.alpha.-D-glucofuranose 3-O ...",NA,"CCCC(=O)OC1C(OC2C1OC(O2)(C)C)C3COC(O3)(C)C","NJJNAEMZQBLYRV-UHFFFAOYSA-N",364051,NA,"PDBC56265","629690","Present",NA,NA
+"56266","[5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] propane-1-sulfinate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Propane-1-sulfinic acid 5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester",NA,"CCCS(=O)OC1C(OC2C1OC(O2)(C)C)C3COC(O3)(C)C","MUSOGBBXUBSLSY-UHFFFAOYSA-N",382424,NA,"PDBC56266","669990","Present",NA,NA
+"56267","[5-(2,3-Dimethoxyphenyl)-2-methyl-2-azabicyclo[3.3.1]nonan-4-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1-(2,3-Dimethoxyphenyl)-6-methyl-6-azabicyclo[3.3.1]nonan-8-yl] benzoate",NA,"CN1CC(C2(CCCC1C2)C3=C(C(=CC=C3)OC)OC)OC(=O)C4=CC=CC=C4","BEGZOARTFIXUBE-UHFFFAOYSA-N",398850,NA,"PDBC56267","709002","Present",NA,NA
+"56268","[5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]-phenylmethanone",NA,"COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CC=CC=C4)OC","KBCJTMAJPDPBNT-UHFFFAOYSA-N",400819,NA,"PDBC56268","713325","Present",NA,NA
+"56269","[5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(2,4-Dichloro-5-fluorophenyl)-3-(3,4-dimethoxyphenyl)-5-hydroxy-4H-pyrazol-1-yl]-pyridin-3-ylmethanone",NA,"COC1=C(C=C(C=C1)C2=NN(C(C2)(C3=CC(=C(C=C3Cl)Cl)F)O)C(=O)C4=CN=CC=C4)OC","QJEYUKRTDPMQOY-UHFFFAOYSA-N",401996,NA,"PDBC56269","715685","Present",NA,NA
+"56270","[5-(2,4-Dichloro-5-fluorophenyl)-5-hydroxy-3-phenyl-4H-pyrazol-1-yl]-pyridin-3-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-(2,4-Dichloro-5-fluorophenyl)-3-phenyl-1-(pyridin-3-ylcarbonyl)-4,5-dihydro-1h-pyrazol-5-ol",NA,"C1C(=NN(C1(C2=CC(=C(C=C2Cl)Cl)F)O)C(=O)C3=CN=CC=C3)C4=CC=CC=C4","DORPNFXHJMASRV-UHFFFAOYSA-N",401995,NA,"PDBC56270","715684","Present",NA,NA
+"56271","[5-(2,4-Dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC677989///NSC677990",NA,"C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)P(=O)(O)O)O","GLFLOZNLDYSPKW-UHFFFAOYSA-N",386248,NA,"PDBC56271","677989///677990","Present",NA,NA
+"56272","[5-(2,4-Dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-ethoxy-phosphinic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(2,4-Dioxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl]-ethoxy-phosphinic acid",NA,"CCOP(=O)(C1C(OC(C1O)N2C=CC(=O)NC2=O)CO)O","YVZUBGORQAUNSD-UHFFFAOYSA-N",386247,NA,"PDBC56272","677988","Present",NA,NA
+"56273","[5-(2-Amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)oxolan-2-yl]methyl hexadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(2-Amino-6-sulfanylidene-3H-purin-9-yl)-3,4-di(hexadecanoyloxy)oxolan-2-yl]methyl hexadecanoate",NA,"CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC(=NC3=S)N)OC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC","WRZLURWOAMZPKG-UHFFFAOYSA-N",5254146,NA,"PDBC56273","78312","Present",NA,NA
+"56274","[5-(2-Amino-8-bromo-6-hydroxy-purin-9-yl)-3,4-bis(2-methylpropanoyloxy)tetrahydrofuran-2-yl]methyl 2-methylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(2-Amino-8-bromo-6-oxo-1H-purin-9-yl)-3,4-bis(2-methylpropanoyloxy)oxolan-2-yl]methyl 2-methylpropanoate",NA,"CC(C)C(=O)OCC1C(C(C(O1)N2C3=C(C(=O)NC(=N3)N)N=C2Br)OC(=O)C(C)C)OC(=O)C(C)C","XMFJWBHLCKHRAR-UHFFFAOYSA-N",135409218,NA,"PDBC56274","668826","Present",NA,NA
+"56275","[5-(2-Aminoethylamino)-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(2-Aminoethylamino)-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone;hydrochloride",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)NCCN)CCl)OC)OC.Cl","UTDYCBKRVFFDFU-UHFFFAOYSA-N",395457,NA,"PDBC56275","700012","Present",NA,NA
+"56276","[5-(2-Aminopropanoyloxymethyl)-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-aminopropanoate;2,2,2-trifluoroacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Alanine, (dodecahydro-1,3,5,7-tetraoxo-4,8-ethenopyrro...",NA,"CC(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)COC(=O)C(C)N)N.C(=O)(C(F)(F)F)O","XFWXTQGTVDIXST-UHFFFAOYSA-N",435620,NA,"PDBC56276","372848","Present",NA,NA
+"56277","[5-(3,4-Dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;perchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(3,4-Dihydro-1H-isoquinolin-2-yl)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;perchlorate",NA,"C[N+](=C1N=C(SS1)N2CCC3=CC=CC=C3C2)C.[O-]Cl(=O)(=O)=O","JIKQJTZMKBVZFA-UHFFFAOYSA-M",24202071,NA,"PDBC56277","622605","Present",NA,NA
+"56278","[5-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(3-Methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,"COC1=CC=C(C=C1)C2CC(=NN2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC(=CC=C4)OC","OVKHNTPJMKEIAV-UHFFFAOYSA-N",45029306,NA,"PDBC56278","746068","Present",NA,NA
+"56279","[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [3,4-dihydroxy-5-[4-(octadecylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)O)O","MMRUODDNUXWTDB-UHFFFAOYSA-N",394833,NA,"PDBC56279","698685","Present",NA,NA
+"56280","[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)O","YPAIZYVYJUAHGL-UHFFFAOYSA-N",398531,NA,"PDBC56280","708446","Present",NA,NA
+"56281","[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)OCC3C(C(C(O3)N4C=CC(=NC4=O)N)O)O)O","BZYLGAQIUANYBL-UHFFFAOYSA-N",394835,NA,"PDBC56281","698687","Present",NA,NA
+"56282","[5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [3-[[5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl] hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(4-Amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] [3-[[5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-2-octadecoxypropyl]",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)OCC(COP(=O)(O)OC3C(OC(C3O)N4C=CC(=NC4=O)N)CO)OCCCCCCCCCCCCCCCCCC)O","ZUDHEYIJETYJLJ-UHFFFAOYSA-N",394834,NA,"PDBC56282","698686","Present",NA,NA
+"56283","[5-(4-Bromophenyl)-3-(1,3-diphenylpyrazol-4-yl)-3,4-dihydropyrazol-2-yl]-(4-methoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(3-(4-bromophenyl)-5-(1,3-diphenyl-1H-pyrazol-4-yl)-4,5-...",NA,"COC1=CC=C(C=C1)C(=O)N2C(CC(=N2)C3=CC=C(C=C3)Br)C4=CN(N=C4C5=CC=CC=C5)C6=CC=CC=C6","RFXQPJCOAIBJGA-UHFFFAOYSA-N",155808132,NA,"PDBC56283","759216","Present",NA,NA
+"56284","[5-(4-Methoxybenzoyl)-2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-en-4-yl]-(4-methoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(4-Methoxybenzoyl)-2,6-dioxa-1,3-diazabicyclo[3.1.0]hex-3-en-4-yl]-(4-methoxyphenyl)methanone",NA,"COC1=CC=C(C=C1)C(=O)C2=NON3C2(O3)C(=O)C4=CC=C(C=C4)OC","FVQGMXXUZFHDKN-UHFFFAOYSA-N",225006,NA,"PDBC56284","14040","Present",NA,NA
+"56285","[5-(5-Amino-4-cyano-oxazol-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Amino-4-cyano-oxazol-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C3=NC(=C(O3)N)C#N)OC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5","AAMHRRKVUVKDOK-UHFFFAOYSA-N",369087,NA,"PDBC56285","640644","Present",NA,NA
+"56286","[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[4-(hexadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Ethyl-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[4-(hexadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)CC)O","WJIWKWJSSOYDOX-UHFFFAOYSA-N",390210,NA,"PDBC56286","687367","Present",NA,NA
+"56287","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoate",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)OC2CC(OC2CO)N3C=C(C(=O)NC3=O)F)C)C","BSJWALRNHXFAOI-ZEHYRTHWSA-N",5468408,NA,"PDBC56287","669727","Present",NA,NA
+"56288","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [5-[5-fluoro-4-(hexadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] [5-[5-fluoro-4-(hexadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)OC3CC(OC3CO)N4C=C(C(=O)NC4=O)F)O","PNVSGXBBZCZTQV-UHFFFAOYSA-N",387052,NA,"PDBC56288","680420","Present",NA,NA
+"56289","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl] butanoate",NA,"CCCC(=O)OC1CC(OC1CO)N2C=C(C(=O)NC2=O)F","GRNXEUAKNOKWFO-UHFFFAOYSA-N",379284,NA,"PDBC56289","663790","Present",NA,NA
+"56290","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate",NA,"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)OC(=O)C","BITODDDCTQEZGE-UHFFFAOYSA-N",390212,NA,"PDBC56290","687369","Present",NA,NA
+"56291","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-2-[[[5-[4-(hexadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxymethyl]oxolan-3-yl] acetate",NA,"CCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CCC(O2)COP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)OC(=O)C","BGFMCUBCGRHTQG-UHFFFAOYSA-N",396087,NA,"PDBC56291","701599","Present",NA,NA
+"56292","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2-hydroxy-3-octadecoxypropyl) hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl (2-hydroxy-3-octadecoxypropyl) hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O)O","ZYZZRXMFGNKWAU-UHFFFAOYSA-N",387050,NA,"PDBC56292","680418","Present",NA,NA
+"56293","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl [5-[5-fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-2-(hydroxymethyl)oxolan-3-yl] hydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)CO)OP(=O)(O)OCC3C(CC(O3)N4C=C(C(=O)NC4=O)F)O","QTEFFTASORIXEW-UHFFFAOYSA-N",390213,NA,"PDBC56293","687370","Present",NA,NA
+"56294","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl bis(2,2,2-trichloroethyl) phosphate",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl)O","IBTKQXCOBNNMMN-UHFFFAOYSA-N",382829,NA,"PDBC56294","670653","Present",NA,NA
+"56295","[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl butanoate",NA,"CCCC(=O)OCC1C(CC(O1)N2C=C(C(=O)NC2=O)F)O","HJDPVVLZVFWYGR-UHFFFAOYSA-N",379285,NA,"PDBC56295","663791","Present",NA,NA
+"56296","[5-(6-Amino-2-ethynylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(6-Amino-2-ethynyl-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate",NA,"C#CC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N","LRSLPIPDJFGDOM-UHFFFAOYSA-N",390226,NA,"PDBC56296","687510","Present",NA,NA
+"56297","[5-(6-Amino-2-iodopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl sulfamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(6-Amino-2-iodo-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl sulfamate",NA,"C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COS(=O)(=O)N)O)O)I)N","AOGXNAGQTWBXDS-UHFFFAOYSA-N",390225,NA,"PDBC56297","687509","Present",NA,NA
+"56298","[5-(6-Amino-2-prop-2-ynylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(6-Amino-2-prop-2-ynylsulfanylpurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",NA,"C#CCSC1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)N","AGCPJBKNYMCVLL-UHFFFAOYSA-N",374634,NA,"PDBC56298","652613","Present",NA,NA
+"56299","[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl] methanesulfonate",NA,"CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)OS(=O)(=O)C","HCVLSAYBYNJZIU-UHFFFAOYSA-N",357473,NA,"PDBC56299","616358","Present",NA,NA
+"56300","[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-methoxymethanethione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(6-Aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-yl]oxy-methoxymethanethione",NA,"CC(C)(C)[Si](C)(C)OCC1C(CC(O1)N2C=NC3=C(N=CN=C32)N)OC(=S)OC","ZNDKKCUUVXIWFC-UHFFFAOYSA-N",357474,NA,"PDBC56300","616359","Present",NA,NA
+"56301","[5-(6-Aminopurin-9-yl)-2-oxolanyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2',3'-DIDEOXYADENOSINE",NA,"C1CC(OC1CO)N2C=NC3=C(N=CN=C32)N","WVXRAFOPTSTNLL-UHFFFAOYSA-N",263976,NA,"PDBC56301","98700","Present",NA,NA
+"56302","[5-(6-Aminopurin-9-yl)-4-benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxypropoxy]phosphoryl]oxymethyl]tetrahydrofuran-3-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(6-Aminopurin-9-yl)-4-benzoyloxy-2-[[2-cyanoethoxy-[3-[3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropoxy]phosphoryl]oxymethyl]oxolan-3-yl] benzoate",NA,"CC(=O)OCC1C(C(C(C(O1)OCCCOP(=O)(OCCC#N)OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C)OC(=O)C)OC(=O)C","UIADPMHNUQDCHC-UHFFFAOYSA-N",393718,NA,"PDBC56302","696236","Present",NA,NA
+"56303","[5-(6-Azido-5-bromo-2,4-dioxo-1,3-diazinan-1-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(6-Azido-5-bromo-2,4-dioxo-1,3-diazinan-1-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methyl carbonate",NA,"COC(=O)OCC1C(CC(O1)N2C(C(C(=O)NC2=O)Br)N=[N+]=[N-])OC(=O)OC","BRMGQHZGXMOYNS-UHFFFAOYSA-N",371921,NA,"PDBC56303","646572","Present",NA,NA
+"56304","[5-(6-Azido-5-iodo-2,4-dioxo-1,3-diazinan-1-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methyl carbonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(6-Azido-5-iodo-2,4-dioxo-1,3-diazinan-1-yl)-2-(methoxycarbonyloxymethyl)oxolan-3-yl] methyl carbonate",NA,"COC(=O)OCC1C(CC(O1)N2C(C(C(=O)NC2=O)I)N=[N+]=[N-])OC(=O)OC","CBHSUWKLYABLTC-UHFFFAOYSA-N",371922,NA,"PDBC56304","646573","Present",NA,NA
+"56305","[5-(7-Aminooxazolo[5,4-d]pyrimidin-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(7-Aminooxazolo[5,4-d]pyrimidin-2-yl)-3,4-dibenzoyloxy-tetrahydrofuran-2-yl]methyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCC2C(C(C(O2)C3=NC4=C(N=CN=C4O3)N)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6","SRASKKOEPQRWKJ-UHFFFAOYSA-N",377503,NA,"PDBC56305","658987","Present",NA,NA
+"56306","[5-(Acetyl-carboxy-amino)-1-methyl-2-methylsulfanyl-6-oxo-1,6-dihydro-pyrimidin-4-yl]-carbamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(Acetyl-carboxy-amino)-1-methyl-2-methylsulfanyl-6-oxo-1,6-dihydro-pyrimidin-4-yl]-carbamic acid",NA,"CC(=O)N(C1=C(N=C(N(C1=O)C)SC)NC(=O)O)C(=O)O","CGYPHCVZVJXNIB-UHFFFAOYSA-N",371478,NA,"PDBC56306","645752","Present",NA,NA
+"56307","[5-(Acetyloxymethyl)furan-2-yl]-chloromercury",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC19502",NA,"CC(=O)OCC1=CC=C(O1)[Hg]Cl","ANMDNFSNUPRPBE-UHFFFAOYSA-M",409204,NA,"PDBC56307","19502","Present",NA,NA
+"56308","[5-(Benzyloxycarbonylamino)-4-decanoyloxy-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl decanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Decanoyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl decanoate",NA,"CCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)CCCCCCCCC)O","DIAVIKUNHICSLA-UHFFFAOYSA-N",365443,NA,"PDBC56308","633068","Present",NA,NA
+"56309","[5-(Benzyloxycarbonylamino)-4-dodecanoyloxy-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dodecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[4-Dodecanoyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl dodecanoate",NA,"CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)CCCCCCCCCCC)O","AURILSGLSMUQHO-UHFFFAOYSA-N",365444,NA,"PDBC56309","633069","Present",NA,NA
+"56310","[5-(Benzyloxycarbonylamino)-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-4-tetradecanoyloxy-tetrahydropyran-2-yl]methyl tetradecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-5-(phenylmethoxycarbonylamino)-4-tetradecanoyloxyoxan-2-yl]methyl tetradecanoate",NA,"CCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)OC(=O)CCCCCCCCCCCCC)O","HSVZHNWYWQXMTN-UHFFFAOYSA-N",365445,NA,"PDBC56310","633070","Present",NA,NA
+"56311","[5-(Carbamoyloxymethyl)-1,3-diphenyl-pyrazol-4-yl]methyl carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(Carbamoyloxymethyl)-1,3-diphenyl-pyrazol-4-yl]methyl carbamate",NA,"C1=CC=C(C=C1)C2=NN(C(=C2COC(=O)N)COC(=O)N)C3=CC=CC=C3","FYNCVWMPCPGNDH-UHFFFAOYSA-N",383139,NA,"PDBC56311","671180","Present",NA,NA
+"56312","[5-(Dimethylamino)-1,3-dioxo-isoindolin-2-yl] 4-nitrobenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(Dimethylamino)-1,3-dioxo-isoindolin-2-yl] 4-nitrobenzenesulfonate",NA,"CN(C)C1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]","ZARHGZTZPVHGBZ-UHFFFAOYSA-N",364535,NA,"PDBC56312","630957","Present",NA,NA
+"56313","[5-(Ethylamino)-1,3-dioxo-isoindolin-2-yl] methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(Ethylamino)-1,3-dioxo-isoindolin-2-yl] methanesulfonate",NA,"CCNC1=CC2=C(C=C1)C(=O)N(C2=O)OS(=O)(=O)C","JSRGHPIOGQCIOH-UHFFFAOYSA-N",343514,NA,"PDBC56313","382975","Present",NA,NA
+"56314","[5-(N-(2-Ethoxy-2-oxoethyl)anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(N-(2-Ethoxy-2-oxoethyl)anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide",NA,"CCOC(=O)CN(C1=CC=CC=C1)C2=NC(=[N+](C)C)SS2.[Br-]","IXIVRICBGRJLJE-UHFFFAOYSA-M",360463,NA,"PDBC56314","622597","Present",NA,NA
+"56315","[5-(N-[(Z)-N-(Dimethylcarbamothioyl)-C-methylsulfanylcarbonimidoyl]anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-(N-[(Z)-N-(Dimethylcarbamothioyl)-C-methylsulfanylcarbonimidoyl]anilino)-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide",NA,"CN(C)C(=S)N=C(N(C1=CC=CC=C1)C2=NC(=[N+](C)C)SS2)SC.[I-]","NXCIIUUQQOTZQO-ULQCMBKMSA-M",9569862,NA,"PDBC56315","622588","Present",NA,NA
+"56316","[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-(5,6,7-trimethoxy-1H-indol-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Benz[e]indol-5-amine, 1-(chloromethyl)-2,3-dihydro-3-...",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl)OC)OC","BMQWJFCUALXVCK-UHFFFAOYSA-N",391700,NA,"PDBC56316","691245","Present",NA,NA
+"56317","[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone;hydrochloride",NA,"CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl.Cl","LZUHGRLELZQIIR-UHFFFAOYSA-N",393069,NA,"PDBC56317","694455","Present",NA,NA
+"56318","[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[6-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[6-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone;hydrochloride",NA,"CN(C)CCOC1=C(C=C2C=C(NC2=C1)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl)OC.Cl","UIXKWCJLBJIJOK-UHFFFAOYSA-N",395183,NA,"PDBC56318","699482","Present",NA,NA
+"56319","[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[7-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Amino-1-(chloromethyl)-1,2-dihydrobenzo[e]indol-3-yl]-[7-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone;hydrochloride",NA,"CN(C)CCOC1=C2C(=CC(=C1)OC)C=C(N2)C(=O)N3CC(C4=C3C=C(C5=CC=CC=C54)N)CCl.Cl","HSDBRFQYJNHCRU-UHFFFAOYSA-N",395455,NA,"PDBC56319","700011","Present",NA,NA
+"56320","[5-Amino-1-(p-tolyl)-1H-imidazol-4-yl](imino)acetonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Amino-1-(p-tolyl)-1H-imidazol-4-yl](imino)acetonitrile",NA,"CC1=CC=C(C=C1)N2C=NC(=C2N)C(=N)C#N","TYZNVRLNICTQCG-UHFFFAOYSA-N",382604,NA,"PDBC56320","670245","Present",NA,NA
+"56321","[5-Amino-3-(2-methoxyphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Amino-3-(2-methoxyphenyl)imidazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,"COC1=CC=CC=C1N2C=NC(=C2C(=O)C3=CC(=C(C(=C3)OC)OC)OC)N","CWYDNXXHKXLXIU-UHFFFAOYSA-N",54613334,NA,"PDBC56321","748266","Present",NA,NA
+"56322","[5-Amino-3-(4-methylpiperazin-1-yl)indazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(5-amino-3-(4-methylpiperazin-1-yl)-1H-indazol-1-yl)(3,4...",NA,"CN1CCN(CC1)C2=NN(C3=C2C=C(C=C3)N)C(=O)C4=CC(=C(C(=C4)OC)OC)OC","GETQIEJSYMKBAW-UHFFFAOYSA-N",155812002,NA,"PDBC56322","782250","Present",NA,NA
+"56323","[5-Amino-4-dodecanoyloxy-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-tetrahydropyran-2-yl]methyl dodecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Amino-4-dodecanoyloxy-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxyoxan-2-yl]methyl dodecanoate",NA,"CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)CCCCCCCCCCC)O","LDLCHPSKVZAGIV-UHFFFAOYSA-N",365440,NA,"PDBC56323","633065","Present",NA,NA
+"56324","[5-Amino-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl dodecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Amino-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydropyran-2-yl]methyl dodecanoate",NA,"CCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)O)O","NQLZXADLJIRZDJ-UHFFFAOYSA-N",365435,NA,"PDBC56324","633060","Present",NA,NA
+"56325","[5-Amino-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-4-octanoyloxy-tetrahydropyran-2-yl]methyl octanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-octanoyloxyoxan-2-yl]methyl octanoate",NA,"CCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)CCCCCCC)O","UNEUUZDHCMVYSI-UHFFFAOYSA-N",365438,NA,"PDBC56325","633063","Present",NA,NA
+"56326","[5-Amino-6-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)-3-hydroxy-4-tetradecanoyloxy-tetrahydropyran-2-yl]methyl tetradecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-tetradecanoyloxyoxan-2-yl]methyl tetradecanoate",NA,"CCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)OC(=O)CCCCCCCCCCCCC)O","DISRBWUMDCYDLU-UHFFFAOYSA-N",365441,NA,"PDBC56326","633066","Present",NA,NA
+"56327","[5-Amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxan-2-yl]methyl hexadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Amino-6-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxan-2-yl]methyl hexadecanoate",NA,"CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)N)O)O","HZERBULLLGRKJC-UHFFFAOYSA-N",363726,NA,"PDBC56327","628904","Present",NA,NA
+"56328","[5-Benzoyl-1-(dimethylamino)-4-hydroxy-6-(1-piperidyl)indol-7-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Benzoyl-1-(dimethylamino)-4-hydroxy-6-(1-piperidyl)indol-7-yl] acetate",NA,"CC(=O)OC1=C(C(=C(C2=C1N(C=C2)N(C)C)O)C(=O)C3=CC=CC=C3)N4CCCCC4","OHKILEIVRQBSHW-UHFFFAOYSA-N",389280,NA,"PDBC56328","685033","Present",NA,NA
+"56329","[5-Benzoyl-1-[(2-nitrophenyl)methyl]-4,5-dihydrotriazol-4-yl]-phenyl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Benzoyl-1-[(2-nitrophenyl)methyl]-4,5-dihydrotriazol-4-yl]-phenyl-methanone",NA,"C1=CC=C(C=C1)C(=O)C2C(N(N=N2)CC3=CC=CC=C3[N+](=O)[O-])C(=O)C4=CC=CC=C4","KRQXLZAGXOZRLL-UHFFFAOYSA-N",374546,NA,"PDBC56329","652296","Present",NA,NA
+"56330","[5-Benzoyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]-phenyl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Benzoyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]-phenyl-methanone",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(N=N2)CC3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4","SLHVFDIWOBMYNL-UHFFFAOYSA-N",374545,NA,"PDBC56330","652295","Present",NA,NA
+"56331","[5-Benzoyl-1-[[2-[(4,5-dibenzoyltriazol-1-yl)methyl]phenyl]methyl]triazol-4-yl]-phenyl-methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Benzoyl-1-[[2-[(4,5-dibenzoyltriazol-1-yl)methyl]phenyl]methyl]triazol-4-yl]-phenyl-methanone",NA,"C1=CC=C(C=C1)C(=O)C2=C(N(N=N2)CC3=CC=CC=C3CN4C(=C(N=N4)C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7","CIHZZCRXWAMDJF-UHFFFAOYSA-N",374542,NA,"PDBC56331","652292","Present",NA,NA
+"56332","[5-Bromo-2-(bromomethyl)-4-hydroxy-6-methoxyoxan-3-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Bromo-2-(bromomethyl)-4-hydroxy-6-methoxyoxan-3-yl] benzoate",NA,"COC1C(C(C(C(O1)CBr)OC(=O)C2=CC=CC=C2)O)Br","JOGIRHAQWGMTAO-UHFFFAOYSA-N",359625,NA,"PDBC56332","620684","Present",NA,NA
+"56333","[5-Bromo-2-(bromomethyl)-6-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Bromo-2-(bromomethyl)-6-methoxy-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2C(C(OC(C2Br)OC)CBr)OC(=O)C3=CC=CC=C3","XKZXMQKZUXHTCT-UHFFFAOYSA-N",359632,NA,"PDBC56333","620691","Present",NA,NA
+"56334","[5-Bromo-3-(1-phenyl-1H-pyrazol-4-yl)-1-benzofuran-2-yl](phenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Bromo-3-(1-phenyl-1H-pyrazol-4-yl)-1-benzofuran-2-yl](phenyl)methanone",NA,"C1=CC=C(C=C1)C(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C4=CN(N=C4)C5=CC=CC=C5","MJQZDXGASZVADF-UHFFFAOYSA-N",361384,NA,"PDBC56334","624408","Present",NA,NA
+"56335","[5-Hydroxy-2-(hydroxymethyl)-4-oxo-8,11-dihydro-4H-oxepino[2,3-h]chromen-9-yl]methyl hexopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"5-Hydroxy-2-(hydroxymethyl)-9-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-8,11-dihydropyrano[2,3-g][1]benzoxepin-4-one",NA,"C1C=C(COC2=C1C3=C(C(=C2)O)C(=O)C=C(O3)CO)COC4C(C(C(C(O4)CO)O)O)O","KXDYPPVOPZKXMX-UHFFFAOYSA-N",373657,NA,"PDBC56335","650387","Present",NA,NA
+"56336","[5-Hydroxy-2-[(E)-[4-(2-pyridylsulfamoyl)phenyl]azo]phenyl]urea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Hydroxy-2-[(E)-[4-(2-pyridylsulfamoyl)phenyl]azo]phenyl]urea",NA,"C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=C(C=C(C=C3)O)NC(=O)N","FMEWCSJBOPKQFH-UHFFFAOYSA-N",366842,NA,"PDBC56336","635818","Present",NA,NA
+"56337","[5-Methyl-4-(methylcarbamoyloxymethyl)-1-phenyl-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Methyl-4-(methylcarbamoyloxymethyl)-1-phenyl-2,5-dihydropyrrol-3-yl]methyl N-methylcarbamate",NA,"CC1C(=C(CN1C2=CC=CC=C2)COC(=O)NC)COC(=O)NC","WFFLUNZGDFAGMD-UHFFFAOYSA-N",376894,NA,"PDBC56337","658080","Present",NA,NA
+"56338","[5-Methyl-4-(phenylcarbamothioyl)-2-propan-2-ylphenyl] N-naphthalen-1-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-Methyl-4-(phenylcarbamothioyl)-2-propan-2-ylphenyl] N-naphthalen-1-ylcarbamate",NA,"CC1=CC(=C(C=C1C(=S)NC2=CC=CC=C2)C(C)C)OC(=O)NC3=CC=CC4=CC=CC=C43","WRUPPPAGTCJINN-UHFFFAOYSA-N",5471253,NA,"PDBC56338","710006","Present",NA,NA
+"56339","[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6",NA,"CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.CC1=CC(=NC(=N1)C)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C4=C3C(=CC=C4)NC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NC(=NC(=C6)C)C","LQOMYOJYLKGJCF-UHFFFAOYSA-N",331402,NA,"PDBC56339","323721","Present",NA,NA
+"56340","[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[(2,2-Dichloroacetyl)amino]-2,4-bis[[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfamoyl]phenyl]diazenyl]naphthalen-1-yl] 2,2-dichloroacetate;9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimeth",NA,"CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)F)C.CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C4=C3C(=CC=C4)NC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl)N=NC5=CC=C(C=C5)S(=O)(=O)NC6=NN=C(S6)C","ODDSNXMAAJTFSD-UHFFFAOYSA-N",331404,NA,"PDBC56340","323722","Present",NA,NA
+"56341","[5-[1-Azido-2-(trifluoromethylsulfonyloxy)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC685408///NSC685409",NA,"CC1(OC2C(C(OC2O1)C(COS(=O)(=O)C(F)(F)F)N=[N+]=[N-])OC(=O)C3=CC=CC=C3)C","QXXOGLAPGHORCN-UHFFFAOYSA-N",389363,NA,"PDBC56341","685408///685409","Present",NA,NA
+"56342","[5-[2-(3,4-Dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-1-benzofuran-2-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[2-(3,4-Dimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4-yl]-6-hydroxy-3-methyl-1-benzofuran-2-yl]-phenylmethanone",NA,"CC1=C(OC2=CC(=C(C=C12)C3=NC4=CC=CC=C4SC(C3)C5=CC(=C(C=C5)OC)OC)O)C(=O)C6=CC=CC=C6","YPHWOVFZTOULOO-UHFFFAOYSA-N",397589,NA,"PDBC56342","705930","Present",NA,NA
+"56343","[5-[3-[(9-Dimethylazaniumylidenebenzo[a]phenoxazin-5-yl)amino]propylamino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[3-[(9-Dimethylazaniumylidenebenzo[a]phenoxazin-5-yl)amino]propylamino]benzo[a]phenoxazin-9-ylidene]-dimethylazanium;chloride",NA,"C[N+](=C1C=CC2=NC3=C(C=C(C4=CC=CC=C43)NCCCNC5=CC6=C(C7=CC=CC=C75)N=C8C=CC(=[N+](C)C)C=C8O6)OC2=C1)C.[Cl-]","HOTPTFYYKLGCNX-UHFFFAOYSA-O",354083,NA,"PDBC56343","604558","Present",NA,NA
+"56344","[5-[4-(Octadecanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[4-(Octadecanoylamino)-2-oxo-pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl dihydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCC(=O)NC1=NC(=O)N(C=C1)C2CCC(O2)COP(=O)(O)O","XQIUJOJBSOQWLD-UHFFFAOYSA-N",390208,NA,"PDBC56344","687365","Present",NA,NA
+"56345","[5-[4-[5-(Carbamothioylamino)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[4-[5-(Carbamothioylamino)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazol-2-yl]thiourea",NA,"C1=CC(=CC=C1C2=NN=C(O2)NC(=S)N)C3=NN=C(O3)NC(=S)N","MCXWPAFPJJNOND-UHFFFAOYSA-N",3004340,NA,"PDBC56345","646790","Present",NA,NA
+"56346","[5-[5-(1-Methylpyrrol-2-yl)selenophen-2-yl]selenophen-2-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[5-(1-Methylpyrrol-2-yl)selenophen-2-yl]selenophen-2-yl]methanol",NA,"CN1C=CC=C1C2=CC=C([Se]2)C3=CC=C([Se]3)CO","HIPHYSSYVRACOW-UHFFFAOYSA-N",399995,NA,"PDBC56346","711174","Present",NA,NA
+"56347","[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[5-Fluoro-4-(octadecylamino)-2-oxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate",NA,"CCCCCCCCCCCCCCCCCCNC1=NC(=O)N(C=C1F)C2CC(C(O2)COP(=O)(O)O)O","JKJDDEJFWSHVID-UHFFFAOYSA-N",390211,NA,"PDBC56347","687368","Present",NA,NA
+"56348","[5-[5-[5-(Hydroxymethyl)selenophen-2-yl]selenophen-2-yl]-1-methylpyrrol-2-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[5-[5-(Hydroxymethyl)selenophen-2-yl]selenophen-2-yl]-1-methyl-pyrrol-2-yl]methanol",NA,"CN1C(=CC=C1C2=CC=C([Se]2)C3=CC=C([Se]3)CO)CO","VQZPHUWWOQKOBK-UHFFFAOYSA-N",399993,NA,"PDBC56348","711172","Present",NA,NA
+"56349","[5-[5-[5-[5-(Aminomethyl)-2-thienyl]-2-thienyl]-2-thienyl]-2-thienyl]methanamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2,2':5',2'':5'',2'''-Quaterthiophene]-5,5'''-dimethanamine",NA,"C1=C(SC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=C(S4)CN)CN","LHUKMMGFRNAJEZ-UHFFFAOYSA-N",392006,NA,"PDBC56349","691803","Present",NA,NA
+"56350","[5-[6-(2-Furylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[6-(2-Furylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxyphosphonic acid",NA,"C1=COC(=C1)CNC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O","WDFCXEWULSQTFC-UHFFFAOYSA-N",324451,NA,"PDBC56350","289900","Present",NA,NA
+"56351","[5-[6-Amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[6-Amino-2-[(4-nitrophenyl)methylsulfanyl]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",NA,"C1=CC(=CC=C1CSC2=NC(=C3C(=N2)N(C=N3)C4C(C(C(O4)COP(=O)(O)O)O)O)N)[N+](=O)[O-]","PEOVXWAHIDXYLT-UHFFFAOYSA-N",374643,NA,"PDBC56351","652622","Present",NA,NA
+"56352","[5-[6-Amino-2-[(E)-5-iodopent-4-enyl]sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[6-Amino-2-[(E)-5-iodopent-4-enyl]sulfanylpurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate",NA,"C1=NC2=C(N=C(N=C2N1C3C(C(C(O3)COP(=O)(O)O)O)O)SCCCC=CI)N","CSFPGMHPGZJJPP-DUXPYHPUSA-N",5467461,NA,"PDBC56352","652615","Present",NA,NA
+"56353","[5-[Bis(1,4-dihydroxy-9,10-dioxo-2-anthryl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[Bis(1,4-dihydroxy-9,10-dioxoanthracen-2-yl)methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC2C3C(OC2C(C4=CC(=C5C(=C4O)C(=O)C6=CC=CC=C6C5=O)O)C7=CC(=C8C(=C7O)C(=O)C9=CC=CC=C9C8=O)O)OC(O3)(C)C","DSIZGKXYNDXBHZ-UHFFFAOYSA-N",378631,NA,"PDBC56353","661423","Present",NA,NA
+"56354","[5-[Bis(dimethylamino)methylideneamino]-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[Bis(dimethylamino)methylideneamino]-1,2,4-dithiazol-3-ylidene]-dimethylazanium;bromide",NA,"CN(C)C(=NC1=NC(=[N+](C)C)SS1)N(C)C.[Br-]","NNORPIMJIJHDIS-UHFFFAOYSA-M",360512,NA,"PDBC56354","622649","Present",NA,NA
+"56355","[5-[Cyclohexyl(methyl)amino]-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[Cyclohexyl(methyl)amino]-1,2,4-dithiazol-3-ylidene]-dimethylazanium;iodide",NA,"CN(C1CCCCC1)C2=NC(=[N+](C)C)SS2.[I-]","IAILPUOPNGCTHX-UHFFFAOYSA-M",360545,NA,"PDBC56355","622679","Present",NA,NA
+"56356","[5-[Tert-butyl(dimethyl)silyl]oxy-3-imino-1-oxido-2,1-benzoxazin-1-ium-7-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[Tert-butyl(dimethyl)silyl]oxy-3-imino-1-oxido-2,1-benzoxazin-1-ium-7-yl]methanol",NA,"CC(C)(C)[Si](C)(C)OC1=CC(=CC2=[N+](OC(=N)C=C12)[O-])CO","IOKQKPQVQUJKKT-UHFFFAOYSA-N",378569,NA,"PDBC56356","661209","Present",NA,NA
+"56357","[5-[[2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[[2-Hydroxy-2-(1-hydroxyethyl)-3-methylbutanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate",NA,"CC(C)C(C(C)O)(C(=O)OCN1C(=O)C2C3C=CC(C2C1=O)C4C3C5C4C(=O)N(C5=O)COC(=O)C(C(C)C)(C(C)O)O)O","HTLCSRQXNUPRBQ-UHFFFAOYSA-N",353025,NA,"PDBC56357","600018","Present",NA,NA
+"56358","[5-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[5-[[2-[(2-Methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxymethyl]-4,6,11,13-tetraoxo-5,12-diazapentacyclo[7.5.2.02,8.03,7.010,14]hexadec-15-en-12-yl]methyl 2-[(2-methylpropan-2-yl)oxycarbony",NA,"CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OCN2C(=O)C3C4C=CC(C3C2=O)C5C4C6C5C(=O)N(C6=O)COC(=O)C(CC7=CC=CC=C7)NC(=O)OC(C)(C)C","NHRGBYUCNXYHPJ-UHFFFAOYSA-N",354774,NA,"PDBC56358","607316","Present",NA,NA
+"56359","[6,11-Diacetyloxy-5-[(3-methylphenyl)methyl]benzo[b]carbazol-2-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6,11-Diacetyloxy-5-[(3-methylphenyl)methyl]benzo[b]carbazol-2-yl] acetate",NA,"CC1=CC(=CC=C1)CN2C3=C(C=C(C=C3)OC(=O)C)C4=C(C5=CC=CC=C5C(=C42)OC(=O)C)OC(=O)C","ARIJSAZJBZZOOY-UHFFFAOYSA-N",404308,NA,"PDBC56359","720490","Present",NA,NA
+"56360","[6,6'']biflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6,6'']biflavone",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=CC(=C3)C4=CC5=C(C=C4)OC(=CC5=O)C6=CC=CC=C6","RFRYEGZKLVLBMV-UHFFFAOYSA-N",381598,NA,"PDBC56360","668407","Present",NA,NA
+"56361","[6,6-Bis(phenylmethoxy)-8-oxa-3-azatricyclo[3.2.1.02,4]octan-3-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6,6-Bis(phenylmethoxy)-8-oxa-3-azatricyclo[3.2.1.02,4]octan-3-yl]-phenylmethanone",NA,"C1C2C3C(N3C(=O)C4=CC=CC=C4)C(C1(OCC5=CC=CC=C5)OCC6=CC=CC=C6)O2","NIPWFCUUSJBQEE-UHFFFAOYSA-N",368694,NA,"PDBC56361","639826","Present",NA,NA
+"56362","[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-(furan-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carboxy-(2'-furyl)-6,7-dichloro-3-trifluoromethylquino...",NA,"C1=COC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)Cl)Cl)[O-])C(F)(F)F","XOUTXLYWMUBXJK-UHFFFAOYSA-N",23635643,NA,"PDBC56362","728074","Present",NA,NA
+"56363","[6,7-Dichloro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-naphthalen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dichloro-3-trifluoromethyl-2-naftoylquioxaline 1,4-d...",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=CC(=C(C=C4[N+]3=O)Cl)Cl)[O-])C(F)(F)F","MNCKJWJLGCAIDU-UHFFFAOYSA-N",23635285,NA,"PDBC56363","736434","Present",NA,NA
+"56364","[6,7-Difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-(furan-2-yl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-carboxy-(2'-furyl)-6,7-difluoro-3-trifluoromethylquino...",NA,"C1=COC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)F)[O-])C(F)(F)F","AIEXZIYFQBCCGK-UHFFFAOYSA-N",23635642,NA,"PDBC56364","728076","Present",NA,NA
+"56365","[6,7-Difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-naphthalen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-difluoro-3-trifluoromethyl-2-naftoylquioxaline 1,4-d...",NA,"C1=CC=C2C=C(C=CC2=C1)C(=O)C3=C(N(C4=CC(=C(C=C4[N+]3=O)F)F)[O-])C(F)(F)F","OCKSPPHQWAREQY-UHFFFAOYSA-N",23635284,NA,"PDBC56365","736435","Present",NA,NA
+"56366","[6,7-Difluoro-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-Difluoro-2-(thien-2-yl)carbonyl-3-trifluoromethyl qu...",NA,"C1=CSC(=C1)C(=O)C2=C(N(C3=CC(=C(C=C3[N+]2=O)F)F)[O-])C(F)(F)F","RIDRYNQDWAPQOS-UHFFFAOYSA-N",23635415,NA,"PDBC56366","728085","Present",NA,NA
+"56367","[6,7-Dimethyl-4-oxido-1-oxo-3-(trifluoromethyl)quinoxalin-1-ium-2-yl]-thiophen-2-ylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"6,7-dimethyl-2-(thien-2-ylcarbonyl)-3-trifluoromethylqui...",NA,"CC1=CC2=C(C=C1C)[N+](=O)C(=C(N2[O-])C(F)(F)F)C(=O)C3=CC=CS3","BJUVRLKHMYWIFC-UHFFFAOYSA-N",23635414,NA,"PDBC56367","729176","Present",NA,NA
+"56368","[6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(1H-Benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-yl]methanol",NA,"CC1(C(CCC(O1)(C)C2=NC3=CC=CC=C3N2)CO)C","IRCXCKNENYJVPV-UHFFFAOYSA-N",388079,NA,"PDBC56368","682542","Present",NA,NA
+"56369","[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 4-(trifluoromethyl)benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 4-(trifluoromethyl)benzoate",NA,"CC1(OCC(O1)C2C3C(C(O2)OC(=O)C4=CC=C(C=C4)C(F)(F)F)OC(O3)(C)C)C","BHLPICAGQSYCKG-UHFFFAOYSA-N",390951,NA,"PDBC56369","689204","Present",NA,NA
+"56370","[6-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 4-nitrobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 4-nitrobenzoate",NA,"CC1(OCC(O1)C2C3C(C(O2)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-])OC(O3)(C)C)C","IYWKQRYSXLJSNK-UHFFFAOYSA-N",390950,NA,"PDBC56370","689203","Present",NA,NA
+"56371","[6-(2,5-Dimethoxybenzoyl)pyridin-2-yl]-(2,5-dimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(2,5-Dimethoxybenzoyl)pyridin-2-yl]-(2,5-dimethoxyphenyl)methanone",NA,"COC1=CC(=C(C=C1)OC)C(=O)C2=NC(=CC=C2)C(=O)C3=C(C=CC(=C3)OC)OC","QXQJEKOWKNVALS-UHFFFAOYSA-N",356573,NA,"PDBC56371","612975","Present",NA,NA
+"56372","[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]acetic acid",NA,"C1OC2=C(O1)C=C3C(=C2)C(=CC(=N3)C4=CC=CC=C4F)OCC(=O)O","FPKJUXUMRDPFFP-UHFFFAOYSA-N",388494,NA,"PDBC56372","683477","Present",NA,NA
+"56373","[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]acetic acid ethyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(2-Fluorophenyl)-1,3-dioxolo[4,5-g]quinoline-8-yloxy]acetic acid ethyl ester",NA,"CCOC(=O)COC1=CC(=NC2=CC3=C(C=C21)OCO3)C4=CC=CC=C4F","DSKBZKUYAJMOEW-UHFFFAOYSA-N",388493,NA,"PDBC56373","683476","Present",NA,NA
+"56374","[6-(4-Acetylanilino)-4,5-diacetyloxyoxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(4-Acetylanilino)-4,5-diacetyloxyoxan-3-yl] acetate",NA,"CC(=O)C1=CC=C(C=C1)NC2C(C(C(CO2)OC(=O)C)OC(=O)C)OC(=O)C","PFGBDOIRIKQABR-UHFFFAOYSA-N",373206,NA,"PDBC56374","649173","Present",NA,NA
+"56375","[6-(4-Bromophenyl)imidazo[2,5-dimethoxybenzylidenehydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC732334",NA,"COC1=CC(=C(C=C1)OC)C=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Br","PTQUSZRZEQMSGH-BHGWPJFGSA-N",16126515,NA,"PDBC56375","732334","Present",NA,NA
+"56376","[6-(4-Chlorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(4-Chlorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate",NA,"C1C(OC(C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=C(C=C4)Cl)CSC#N","XTFRSVRWDKFVGA-UHFFFAOYSA-N",54613288,NA,"PDBC56376","750512","Present",NA,NA
+"56377","[6-(4-Chlorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(4-Chlorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate",NA,"C1C(OC(CC1(C2=CC=CC=C2)O)C3=CC=C(C=C3)Cl)CSC#N","FZAPPHMXVLWNFB-UHFFFAOYSA-N",54613214,NA,"PDBC56377","750289","Present",NA,NA
+"56378","[6-(4-Chlorophenyl)imidazo[2,1-b]thiazol-3-yl]acetic acid 2-hydroxybenzylidenehydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(4-chlorophenyl)imidazo[2,1-b]thiazol-3-yl]acetic aci...",NA,"C1=CC=C(C(=C1)C=NNC(=O)CC2=CSC3=NC(=CN23)C4=CC=C(C=C4)Cl)O","QEQZJQMQDJMGEP-LSHDLFTRSA-N",135968290,NA,"PDBC56378","750859","Present",NA,NA
+"56379","[6-(4-Fluorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(4-Fluorophenyl)-4-hydroxy-4,5-diphenyloxan-2-yl]methyl thiocyanate",NA,"C1C(OC(C(C1(C2=CC=CC=C2)O)C3=CC=CC=C3)C4=CC=C(C=C4)F)CSC#N","LKLSPOXUXUIYBW-UHFFFAOYSA-N",54613759,NA,"PDBC56379","750255","Present",NA,NA
+"56380","[6-(4-Fluorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(4-Fluorophenyl)-4-hydroxy-4-phenyloxan-2-yl]methyl thiocyanate",NA,"C1C(OC(CC1(C2=CC=CC=C2)O)C3=CC=C(C=C3)F)CSC#N","WAMFUOJWQQDDMD-UHFFFAOYSA-N",54612774,NA,"PDBC56380","749752","Present",NA,NA
+"56381","[6-(5,6-Dichloro-1H-benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(5,6-Dichloro-1H-benzimidazol-2-yl)-2,2,6-trimethyl-tetrahydropyran-3-yl]methanol",NA,"CC1(C(CCC(O1)(C)C2=NC3=CC(=C(C=C3N2)Cl)Cl)CO)C","MJYYHAFJMFJSDR-UHFFFAOYSA-N",388082,NA,"PDBC56381","682545","Present",NA,NA
+"56382","[6-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl hexadecanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(5-Fluoro-2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(phenylmethoxycarbonylamino)oxan-2-yl]methyl hexadecanoate",NA,"CCCCCCCCCCCCCCCC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)F)NC(=O)OCC3=CC=CC=C3)O)O","JTMMJXLMKGONFI-UHFFFAOYSA-N",363727,NA,"PDBC56382","628905","Present",NA,NA
+"56383","[6-(Acetamidomethyl)-8-benzamido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(acetamidomethyl)-8-benzamido-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl] benzoate",NA,"CC(=O)NCC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5","LNDTXIMMLBSMGM-UHFFFAOYSA-N",389364,NA,"PDBC56383","685410","Present",NA,NA
+"56384","[6-(Aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] N-pentylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(Aziridin-1-yl)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] N-pentylcarbamate",NA,"CCCCCNC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=O)N4CC4)C","MCFOFZBDWSOEAS-UHFFFAOYSA-N",385307,NA,"PDBC56384","676423","Present",NA,NA
+"56385","[6-(Dimethylamino)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(Dimethylamino)-7-methyl-5,8-dioxo-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-3-yl] carbamate",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)N)N(C)C","RZDXIAMJZGKBKU-UHFFFAOYSA-N",374650,NA,"PDBC56385","652685","Present",NA,NA
+"56386","[6-(Phenylmethoxycarbonylamino)-1-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-2,3-dihydroindol-3-yl]methyl methanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-(Phenylmethoxycarbonylamino)-1-(5,6,7-trimethoxy-1H-indole-2-carbonyl)-2,3-dihydroindol-3-yl]methyl methanesulfonate",NA,"COC1=C(C(=C2C(=C1)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)NC(=O)OCC5=CC=CC=C5)COS(=O)(=O)C)OC)OC","MCBMMKYKXPJQPK-UHFFFAOYSA-N",386020,NA,"PDBC56386","677589","Present",NA,NA
+"56387","[6-Amino-3-(4-methoxyphenyl)indazol-1-yl]-(3,4,5-trimethoxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-amino-3-(4-methoxyphenyl)-1H-indazol-1-yl)(3,4,5-trim...",NA,"COC1=CC=C(C=C1)C2=NN(C3=C2C=CC(=C3)N)C(=O)C4=CC(=C(C(=C4)OC)OC)OC","KAPPXMIWEKMFCD-UHFFFAOYSA-N",155811680,NA,"PDBC56387","782249","Present",NA,NA
+"56388","[6-Azido-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Azido-3,4,5-tris(2,2-dimethylpropanoyloxy)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate",NA,"CC(C)(C)C(=O)OCC1C(C(C(C(O1)N=[N+]=[N-])OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C","ZRIINKFKQWXADE-UHFFFAOYSA-N",375598,NA,"PDBC56388","655422","Present",NA,NA
+"56389","[6-Benzoyloxy-2,3,4,5-tetrakis-(4-methylphenyl)sulfonyloxyhexyl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Benzoyloxy-2,3,4,5-tetrakis-(4-methylphenyl)sulfonyloxyhexyl] benzoate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OC(COC(=O)C2=CC=CC=C2)C(C(C(COC(=O)C3=CC=CC=C3)OS(=O)(=O)C4=CC=C(C=C4)C)OS(=O)(=O)C5=CC=C(C=C5)C)OS(=O)(=O)C6=CC=C(C=C6)C","BGCIIPUPNNLORR-UHFFFAOYSA-N",359635,NA,"PDBC56389","620694","Present",NA,NA
+"56390","[6-Benzoyloxy-2-(4-nitropyrrolo[2,3-b]pyridin-1-yl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-benzoyloxy-2-(4-nitropyrrolo[2,3-b]pyridin-1-yl)-2-phenyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCC2C(C3C(O2)OC(O3)(C4=CC=CC=C4)N5C=CC6=C(C=CN=C65)[N+](=O)[O-])OC(=O)C7=CC=CC=C7","IWNLVGSRNLNTIM-UHFFFAOYSA-N",384810,NA,"PDBC56390","675259","Present",NA,NA
+"56391","[6-Ethoxy-3-hydroxy-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Ethoxy-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl 2,2-dimethylpropanoate",NA,"CCOC1C(CC(C(O1)COC(=O)C(C)(C)C)O)N2C=C(C(=O)NC2=O)C","HDGZTAFELKEMDZ-UHFFFAOYSA-N",395155,NA,"PDBC56391","699455","Present",NA,NA
+"56392","[6-Methoxy-2-methyl-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-3-yl] 2,2-dimethylpropanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Methoxy-2-methyl-4,5-bis-(4-methylphenyl)sulfonyloxyoxan-3-yl] 2,2-dimethylpropanoate",NA,"CC1C(C(C(C(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OS(=O)(=O)C3=CC=C(C=C3)C)OC(=O)C(C)(C)C","GPAUYJUWLVVJCB-UHFFFAOYSA-N",359617,NA,"PDBC56392","620676","Present",NA,NA
+"56393","[6-Methoxy-2-methyl-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Methoxy-2-methyl-4-(4-methylphenyl)sulfonyloxyoxan-3-yl] benzoate",NA,"CC1C(C(CC(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC=CC=C3","MEBOJDDPMXASMH-UHFFFAOYSA-N",359630,NA,"PDBC56393","620689","Present",NA,NA
+"56394","[6-Methoxy-2-methyl-4-(4-nitrophenyl)sulfonyloxyoxan-3-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Methoxy-2-methyl-4-(4-nitrophenyl)sulfonyloxyoxan-3-yl] benzoate",NA,"CC1C(C(CC(O1)OC)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC(=O)C3=CC=CC=C3","UPVTZWFGRUWONI-UHFFFAOYSA-N",359634,NA,"PDBC56394","620693","Present",NA,NA
+"56395","[6-Methoxy-3,4-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Methoxy-3,4-bis-(4-methylphenyl)sulfonyloxyoxan-2-yl]methyl 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OCC2C(C(CC(O2)OC)OS(=O)(=O)C3=CC=C(C=C3)C)OS(=O)(=O)C4=CC=C(C=C4)C","DPIMOPFFPRWPPV-UHFFFAOYSA-N",359615,NA,"PDBC56395","620674","Present",NA,NA
+"56396","[6-Methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Methoxy-4-[(4-methoxyphenyl)methoxy]-2-methyloxan-3-yl] benzoate",NA,"CC1C(C(CC(O1)OC)OCC2=CC=C(C=C2)OC)OC(=O)C3=CC=CC=C3","ZWBVGKMKPODOFA-UHFFFAOYSA-N",359633,NA,"PDBC56396","620692","Present",NA,NA
+"56397","[6-[(3R,3'S,5R,5'R,7R,8R,9R,10S,13S,14R,17R)-3-Acetyloxy-5'-[(1S)-1,2-dihydroxy-2-methylpropyl]-3',4,4,8,10,14-hexamethylspiro[1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[(3R,3'S,5R,5'R,7R,8R,9R,10S,13S,14R,17R)-3-Acetyloxy-5'-[(1S)-1,2-dihydroxy-2-methylpropyl]-3',4,4,8,10,14-hexamethylspiro[1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-o",NA,"CC1CC(OC12CCC3(C2CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C)C)C(C(C)(C)O)O","ZUFLSDIQEBDMJC-AHAIZAONSA-N",6712363,NA,"PDBC56397","676808","Present",NA,NA
+"56398","[6-[(3R,3'S,5R,5'R,7R,8R,9R,10S,13S,14R,17R)-3-Acetyloxy-5'-[(1S)-1-hydroxy-2-methoxy-2-methylpropyl]-3',4,4,8,10,14-hexamethylspiro[1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Spiro[18-norandrostane-17,2'(3'H)-furan]-3,7-diol, 3-O-a...",NA,"CC1CC(OC12CCC3(C2CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C)C)C(C(C)(C)OC)O","AYUSIRGMJHDARB-ISQHVAAISA-N",6712364,NA,"PDBC56398","676810","Present",NA,NA
+"56399","[6-[(9R)-4,5-Dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[(9R)-4,5-Dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)OC(=O)C)O)O)O)C=CC=C3O","ANCSMTDJGPZSRP-ULPGIETOSA-N",24203237,NA,"PDBC56399","727259","Present",NA,NA
+"56400","[6-[(9S)-4,5-Dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[(9S)-4,5-Dihydroxy-2-methyl-10-oxo-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] acetate",NA,"CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)OC(=O)C)O)O)O)C=CC=C3O","ANCSMTDJGPZSRP-ZCGDZVLKSA-N",24203236,NA,"PDBC56400","727258","Present",NA,NA
+"56401","[6-[(E)-(3-Azabicyclo[3.2.2]nonane-3-carbothioylhydrazono)methyl]pyridazin-1-ium-1-yl]iron",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[(E)-(3-Azabicyclo[3.2.2]nonane-3-carbothioylhydrazono)methyl]pyridazin-1-ium-1-yl]iron",NA,NA,NA,NA,NA,"PDBC56401","633276","Present",NA,NA
+"56402","[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2,4,5-trichlorophenoxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2,4,5-trichlorophenoxy)acetate",NA,"C1=CC(=NC=C1OC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)C=NNC(=S)N","RVBSAHUEAWPHMO-IGCPIRJNSA-N",9560945,NA,"PDBC56402","185055","Present",NA,NA
+"56403","[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(2-chlorophenoxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, (2-chlorophenoxy)-, 6-[[(aminothioxomethyl)...",NA,"C1=CC=C(C(=C1)OCC(=O)OC2=CN=C(C=C2)C=NNC(=S)N)Cl","JMKQBSDQJKEATH-FBCYGCLPSA-N",5351259,NA,"PDBC56403","185056","Present",NA,NA
+"56404","[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-(4-chlorophenoxy)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, (4-chlorophenoxy)-, 6-[[(aminothioxomethyl)...",NA,"C1=CC(=CC=C1OCC(=O)OC2=CN=C(C=C2)C=NNC(=S)N)Cl","MMDRMMMYUBKHFV-FBCYGCLPSA-N",9556337,NA,"PDBC56404","185054","Present",NA,NA
+"56405","[6-[(E)-(Carbamothioylhydrazinylidene)methyl]pyridin-3-yl] 2-phenoxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetic acid, phenoxy-, 6-[[(aminothioxomethyl)hydrazono]...",NA,"C1=CC=C(C=C1)OCC(=O)OC2=CN=C(C=C2)C=NNC(=S)N","ZFVVIAZMYUDWHW-QGMBQPNBSA-N",9555563,NA,"PDBC56405","185057","Present",NA,NA
+"56406","[6-[(E)-3-[4-(Butanoylamino)-1-methylpyrrol-2-yl]prop-2-enoyl]-8-(chloromethyl)-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[(E)-3-[4-(Butanoylamino)-1-methylpyrrol-2-yl]prop-2-enoyl]-8-(chloromethyl)-1-methyl-7,8-dihydro-3H-pyrrolo[3,2-e]indol-4-yl] acetate",NA,"CCCC(=O)NC1=CN(C(=C1)C=CC(=O)N2CC(C3=C4C(=CNC4=C(C=C32)OC(=O)C)C)CCl)C","CZQAXASQXBZSHD-BQYQJAHWSA-N",6270671,NA,"PDBC56406","693565","Present",NA,NA
+"56407","[6-[(E)-Hydroxyiminomethyl]-1-methylpyridin-1-ium-3-yl] N,N-dimethylcarbamate;iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[(E)-Hydroxyiminomethyl]-1-methylpyridin-1-ium-3-yl] N,N-dimethylcarbamate;iodide",NA,"C[N+]1=C(C=CC(=C1)OC(=O)N(C)C)C=NO.[I-]","NZZZJNZHRLXSLQ-UHFFFAOYSA-N",135499211,NA,"PDBC56407","644873","Present",NA,NA
+"56408","[6-[2-Butoxy-4-hydroxy-5-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl]oxy-5-hydroxy-2-methyl-4-(2-methylpropanoyloxy)oxan-3-yl] butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[2-Butoxy-4-hydroxy-5-(2-methylpropanoyloxy)-6-(2-methylpropanoyloxymethyl)oxan-3-yl]oxy-5-hydroxy-2-methyl-4-(2-methylpropanoyloxy)oxan-3-yl] butanoate",NA,"CCCCOC1C(C(C(C(O1)COC(=O)C(C)C)OC(=O)C(C)C)O)OC2C(C(C(C(O2)C)OC(=O)CCC)OC(=O)C(C)C)O","OYXOEGDEVNJWDM-UHFFFAOYSA-N",24202677,NA,"PDBC56408","725700","Present",NA,NA
+"56409","[6-[4-(4-Methylphenoxy)benzoyl]-2-pyridyl]-[4-(4-methylphenoxy)phenyl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[4-(4-Methylphenoxy)benzoyl]-2-pyridyl]-[4-(4-methylphenoxy)phenyl]methanone",NA,"CC1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)C3=NC(=CC=C3)C(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)C","YUTABOAOSIWVGT-UHFFFAOYSA-N",365999,NA,"PDBC56409","634168","Present",NA,NA
+"56410","[6-[6-[[6-(6-Methyl-2-pyridyl)-2-pyridyl]methoxymethyl]-2-pyridyl]-2-pyridyl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[6-[[6-(6-Methyl-2-pyridyl)-2-pyridyl]methoxymethyl]-2-pyridyl]-2-pyridyl]methanol",NA,"CC1=NC(=CC=C1)C2=CC=CC(=N2)COCC3=NC(=CC=C3)C4=CC=CC(=N4)CO","TZGRALCUNFBVEJ-UHFFFAOYSA-N",393207,NA,"PDBC56410","694695","Present",NA,NA
+"56411","[6-[8-Acetoxy-7-(diethylamino)-5-oxo-thiazolo[3,2-a]pyridin-6-yl]-7-(diethylamino)-5-oxo-thiazolo[3,2-a]pyridin-8-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[8-Acetyloxy-7-(diethylamino)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-6-yl]-7-(diethylamino)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-8-yl] acetate",NA,"CCN(CC)C1=C(C(=O)N2C=CSC2=C1OC(=O)C)C3=C(C(=C4N(C3=O)C=CS4)OC(=O)C)N(CC)CC","XNFAPSPFHHQRSP-UHFFFAOYSA-N",389267,NA,"PDBC56411","685020","Present",NA,NA
+"56412","[6-[[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-7-Acetyloxy-15-[(2S,4R,5S)-6-fluoro-4,5-dihydroxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(1S,2R,3R,5R,7S,10S,11R,14R,15S)-7-Acetyloxy-15-[(2S,4R,5S)-6-fluoro-4,5-dihydroxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydrox",NA,"CC(CC(C(C(C)(C)F)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","UVIGKQSXWXGXPU-VKOBEHAWSA-N",397861,NA,"PDBC56412","706484","Present",NA,NA
+"56413","[6-[[(2R,10S)-7-Acetyloxy-2,6,6,10-tetramethyl-15-[(2S,4S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(2R,10S)-7-Acetyloxy-2,6,6,10-tetramethyl-15-[(2S,4S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,"CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","LWBFDADHSVYUPS-PQPLWSRPSA-N",6712253,NA,"PDBC56413","663007","Present",NA,NA
+"56414","[6-[[(2R,10S,15S)-15-[4-(3,3-Dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-7-hydroxy-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(2R,10S,15S)-15-[4-(3,3-Dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-7-hydroxy-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,"CC(CC(C1C(O1)(C)C)O)C2CCC34C2(C3)CCC5C4(C(CC6C5(CCC(C6(C)C)O)C)OC7C(C(C(C(O7)COC(=O)C)O)O)O)C","YJTJWLZANYUOEB-FEKFTJOESA-N",369933,NA,"PDBC56414","642300","Present",NA,NA
+"56415","[6-[[(2R,10S,15S)-7-Acetyloxy-15-(6-formylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(2R,10S,15S)-7-Acetyloxy-15-(6-formylhept-6-en-2-yl)-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,"CC(CCCC(=C)C=O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","HDTJUAYSKZYAMY-AXMUSJGESA-N",369934,NA,"PDBC56415","642301","Present",NA,NA
+"56416","[6-[[(2R,10S,15S)-7-Acetyloxy-15-[(5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(2R,10S,15S)-7-Acetyloxy-15-[(5R)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,"CC(CC(C(C(C)(C)OC)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","TZKXHZFZNDJTCA-YLSOGLQASA-N",369929,NA,"PDBC56416","642296","Present",NA,NA
+"56417","[6-[[(2R,10S,15S)-7-Acetyloxy-15-[(5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(2R,10S,15S)-7-Acetyloxy-15-[(5S)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,"CC(CC(C(C(=C)C)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","PVMHLUQSCKSBOW-FNQQQBJQSA-N",369935,NA,"PDBC56417","642302","Present",NA,NA
+"56418","[6-[[(2R,10S,15S)-7-Acetyloxy-15-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(2R,10S,15S)-7-Acetyloxy-15-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybutan-2-yl]-2,6,6,10-tetramethyl-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,"CC(CC(C1C(O1)(C)C)O)C2CCC34C2(C3)CCC5C4(C(CC6C5(CCC(C6(C)C)OC(=O)C)C)OC7C(C(C(C(O7)COC(=O)C)O)O)O)C","BWLUFHQYKRKBLP-LHOCOFNGSA-N",369932,NA,"PDBC56418","642299","Present",NA,NA
+"56419","[6-[[(2R,10S,15S)-7-Acetyloxy-2,6,6,10-tetramethyl-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(2R,10S,15S)-7-Acetyloxy-2,6,6,10-tetramethyl-15-[(5R)-4,5,6-trihydroxy-6-methylheptan-2-yl]-3-pentacyclo[12.3.1.01,14.02,11.05,10]octadecanyl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,"CC(CC(C(C(C)(C)O)O)O)C1CCC23C1(C2)CCC4C3(C(CC5C4(CCC(C5(C)C)OC(=O)C)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C","LWBFDADHSVYUPS-YBWWVZCISA-N",369930,NA,"PDBC56419","642297","Present",NA,NA
+"56420","[6-[[(3R,5R,7R,8R,9R,10S,13S,17S)-3-Acetyloxy-4,4,8,10,13-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(3R,5R,7R,8R,9R,10S,13S,17S)-3-Acetyloxy-4,4,8,10,13-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5",NA,"CC(CC(C(C(C)(C)O)O)O)C1CC=C2C1(CCC3C2(C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C","JUMRSGDJJITQFW-FHBHDGDFSA-N",383002,NA,"PDBC56420","670970","Present",NA,NA
+"56421","[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-17-[(2S,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-17-[(2S,4R,5R)-4,5-dihydroxy-6-methylhept-6-en-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-tri",NA,"CC(CC(C(C(=C)C)O)O)C1CCC2(C1=CCC3C2(C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C","JMCIAFGPTOBWRU-RKDHYRFISA-N",385544,NA,"PDBC56421","676812","Present",NA,NA
+"56422","[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-17-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-17-[(2S,4R,5S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,14-pentamethyl-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,",NA,"CC(CC(C(C(C)(C)OC)O)O)C1=C2CCC3C4(CCC(C(C4CC(C3(C2(CC1)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)(C)C)OC(=O)C)C","VOXAMSQYMKTBQW-FOVFFCKJSA-N",385543,NA,"PDBC56422","676811","Present",NA,NA
+"56423","[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-4,4,8,10,14-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(3R,5R,7R,8R,9R,10S,14R)-3-Acetyloxy-4,4,8,10,14-pentamethyl-17-[(2S,4R,5S)-4,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,5,6,7,9,11,12,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-tri",NA,"CC(CC(C(C(C)(C)O)O)O)C1=C2CCC3C4(CCC(C(C4CC(C3(C2(CC1)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)(C)C)OC(=O)C)C","YSFFKLRWVQEGJK-XECQFBFTSA-N",385541,NA,"PDBC56423","676809","Present",NA,NA
+"56424","[6-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxy-2-methyloxan-3-yl] acetate",NA,"CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(C(O4)C)OC(=O)C)O)O)C)C=C(C)C)C","ATSLYOOWNWXAIQ-HACPQOHYSA-N",24203399,NA,"PDBC56424","727908","Present",NA,NA
+"56425","[6-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(4S,6S,6Ar,9S)-1-hydroxy-3,6,9-trimethyl-4-(2-methylprop-1-enyl)-5,6,6a,7,8,9-hexahydro-4H-phenalen-2-yl]oxy]-4,5-dihydroxyoxan-3-yl] acetate",NA,"CC1CCC2C(CC(C3=C(C(=C(C1=C23)O)OC4C(C(C(CO4)OC(=O)C)O)O)C)C=C(C)C)C","GKCBYTVPJRUVKI-MQDOAEPYSA-N",24203400,NA,"PDBC56425","727909","Present",NA,NA
+"56426","[6-[[(5S,8Ar,9R)-9-[3,5-dimethoxy-4-[2-(4-methylpiperazin-1-yl)acetyl]oxyphenyl]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-2-methyl-7-[2-(4-methylpiperazin-1-yl)acetyl]oxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2-(4-methylpiperazin-1-yl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(5S,8Ar,9R)-9-[3,5-dimethoxy-4-[2-(4-methylpiperazin-1-yl)acetyl]oxyphenyl]-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-2-methyl-7-[2-(4-methylpiperazin-1-yl)acety",NA,"CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)OC(=O)CN8CCN(CC8)C)OC)OC(=O)CN9CCN(CC9)C)OC(=O)CN1CCN(CC1)C","LFRIRRVUVCGFBL-LTGFKREESA-N",390757,NA,"PDBC56426","688515","Present",NA,NA
+"56427","[6-[[(8R,10S)-3-Acetyloxy-17-[(2S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-[[(8R,10S)-3-Acetyloxy-17-[(2S)-4,5-dihydroxy-6-methoxy-6-methylheptan-2-yl]-4,4,8,10,13-pentamethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy]-3,4,5-trihydroxyoxan-2-y",NA,"CC(CC(C(C(C)(C)OC)O)O)C1CC=C2C1(CCC3C2(C(CC4C3(CCC(C4(C)C)OC(=O)C)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)C","LMBYRQRHBGASEU-HACDAJBJSA-N",6712254,NA,"PDBC56427","663008","Present",NA,NA
+"56428","[7,8-Dichloro-1-methyl-2-(phenylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-phenylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7,8-Dichloro-1-methyl-2-(phenylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-phenylcarbamate",NA,"CN1C(=C(C2=C1C3=CC(=C(C=C3C=C2)Cl)Cl)COC(=O)NC4=CC=CC=C4)COC(=O)NC5=CC=CC=C5","WYASXQFMSAOOSS-UHFFFAOYSA-N",388469,NA,"PDBC56428","683405","Present",NA,NA
+"56429","[7,8-Dichloro-1-methyl-2-(propan-2-ylcarbamoyloxymethyl)-4,5-dihydrobenzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7,8-Dichloro-1-methyl-2-(propan-2-ylcarbamoyloxymethyl)-4,5-dihydrobenzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate",NA,"CC(C)NC(=O)OCC1=C(N(C2=C1CCC3=CC(=C(C=C32)Cl)Cl)C)COC(=O)NC(C)C","RYFZOYNHIZCOOH-UHFFFAOYSA-N",376744,NA,"PDBC56429","657787","Present",NA,NA
+"56430","[7-(3,5-Dihydroxyphenyl)-1-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]-(4-hydroxyphenyl)methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7-(3,5-Dihydroxyphenyl)-1-[3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-yl]-5-hydroxy-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-y",NA,"C1=CC(=CC=C1C2C(C(C3=C2C(=CC4=C3C(C(O4)C5=CC=C(C=C5)O)C6=CC7=C(C=C6O)OC(C7C8=CC(=CC(=C8)O)O)C9=CC=C(C=C9)O)O)C(=O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O","JQKTUYJRNDDQHK-UHFFFAOYSA-N",16129877,NA,"PDBC56430","655525","Present",NA,NA
+"56431","[7-(4-Aminophenyl)-5-(3,4,5-trimethoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-2-yl] propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7-(4-aminophenyl)-5-(3,4,5-trimethoxyphenyl)-5H-thiazolo...",NA,"CCC(=O)OC1=CN2C(C=C(N=C2S1)C3=CC=C(C=C3)N)C4=CC(=C(C(=C4)OC)OC)OC","RLUNQEXMQUOZHM-UHFFFAOYSA-N",155813153,NA,"PDBC56431","766096","Present",NA,NA
+"56432","[7-(Diethylamino)-6-(2-isopropoxy-3,4-dioxo-cyclobuten-1-yl)-5-oxo-thiazolo[3,2-a]pyridin-8-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7-(Diethylamino)-6-(3,4-dioxo-2-propan-2-yloxycyclobuten-1-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyridin-8-yl] acetate",NA,"CCN(CC)C1=C(C(=O)N2C=CSC2=C1OC(=O)C)C3=C(C(=O)C3=O)OC(C)C","USRZGXYENHQLLI-UHFFFAOYSA-N",389268,NA,"PDBC56432","685021","Present",NA,NA
+"56433","[7-(Ethoxycarbonylamino)-3-oxo-4,8-dioxabicyclo[3.2.1]octan-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7-(Ethoxycarbonylamino)-3-oxo-4,8-dioxabicyclo[3.2.1]octan-6-yl] acetate",NA,"CCOC(=O)NC1C2CC(=O)OC(C1OC(=O)C)O2","OVZBJPNETDXDFI-UHFFFAOYSA-N",368693,NA,"PDBC56433","639825","Present",NA,NA
+"56434","[7-Benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-5-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7-Benzyl-6-bromo-2,4-bis(methylsulfanyl)pyrrolo[2,3-d]pyrimidin-5-yl]methanol",NA,"CSC1=NC(=NC2=C1C(=C(N2CC3=CC=CC=C3)Br)CO)SC","UMRYQGGTZZGUNQ-UHFFFAOYSA-N",357482,NA,"PDBC56434","616511","Present",NA,NA
+"56435","[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-phenethyl-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]-phenethyl-amine",NA,"CC1C(C2=CC3=C(C=C2OC1NCCC4=CC=CC=C4)OCO3)C5=CC(=C(C(=C5)OC)OC)OC","OOHSXVUDZOOJQR-UHFFFAOYSA-N",384844,NA,"PDBC56435","675362","Present",NA,NA
+"56436","[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]hydrazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl)hydrazine",NA,"CC1C(C2=CC3=C(C=C2OC1NN)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","HUJNELKPXBNWGW-UHFFFAOYSA-N",381378,NA,"PDBC56436","667918","Present",NA,NA
+"56437","[7-[(4-Methoxyphenyl)methyl]-6-(3,4,5-trimethoxyphenyl)-4,5-dihydropyrrolo[3,4-g][1,2]benzoxazol-3-yl]methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7-(4-methoxybenzyl)-6-(3,4,5-trimethoxyphenyl)-5,7-dihy...",NA,"COC1=CC=C(C=C1)CN2C=C3C(=C2C4=CC(=C(C(=C4)OC)OC)OC)CCC5=C3ON=C5CO","AIMUKUMVGZCLPE-UHFFFAOYSA-N",155816728,NA,"PDBC56437","793973","Present",NA,NA
+"56438","[7-[[2-Chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[7-[[2-chloroethyl(nitroso)carbamoyl]amino]-6-methoxy-2,2-dimethyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] acetate",NA,"CC(=O)OC1C(C(OC2C1OC(OC2)(C)C)OC)NC(=O)N(CCCl)N=O","IIZWKYHLPGMHCV-UHFFFAOYSA-N",370173,NA,"PDBC56438","642917","Present",NA,NA
+"56439","[8,11-Dimethyl-3,5-dioxo-4-(2-piperidin-1-ylethyl)-4-azatricyclo[5.2.2.02,6]undec-8-en-1-yl] acetate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-acetoxy-6,8-dimethyl-2-[2-( piperidin-1-yl)-ethyl]-4,7...",NA,"CC1CC2(C=C(C1C3C2C(=O)N(C3=O)CCN4CCCCC4)C)OC(=O)C.Cl","IBKVQBUAJKAORY-UHFFFAOYSA-N",24205629,NA,"PDBC56439","736299","Present",NA,NA
+"56440","[8,11-Dimethyl-4-(2-morpholin-4-ylethyl)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-1-yl] acetate;hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-acetoxy-6,8-dimethyl-2-[2-(morpholin-4-yl)-ethyl]-4,7-...",NA,"CC1CC2(C=C(C1C3C2C(=O)N(C3=O)CCN4CCOCC4)C)OC(=O)C.Cl","CONSTNYYFVARQZ-UHFFFAOYSA-N",24205631,NA,"PDBC56440","736300","Present",NA,NA
+"56441","[8-(6-Methoxyquinolin-4-yl)-2-azabicyclo[3.3.1]non-7-en-2-yl]-phenylmethanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[8-(6-Methoxyquinolin-4-yl)-2-azabicyclo[3.3.1]non-7-en-2-yl]-phenylmethanone",NA,"COC1=CC2=C(C=CN=C2C=C1)C3=CCC4CCN(C3C4)C(=O)C5=CC=CC=C5","JLWRMXHSXXLZGM-UHFFFAOYSA-N",359584,NA,"PDBC56441","620578","Present",NA,NA
+"56442","[8-Chloro-2-(4-chlorophenyl)quinolin-4-yl](piperidin-2-yl)methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Quinolinemethanol, 8-chloro-2-(p-chlorophenyl)-.alpha....",NA,"C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3Cl)C4=CC=C(C=C4)Cl)O","GOVNXGKKGVVELA-UHFFFAOYSA-N",220885,NA,"PDBC56442","4377","Present",NA,NA
+"56443","[8-Methyl-7-(propan-2-ylcarbamoyloxymethyl)thieno[3,2-g]indol-6-yl]methyl N-propan-2-ylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[8-Methyl-7-(propan-2-ylcarbamoyloxymethyl)thieno[3,2-g]indol-6-yl]methyl N-propan-2-ylcarbamate",NA,"CC(C)NC(=O)OCC1=C(N(C2=C1C=CC3=C2SC=C3)C)COC(=O)NC(C)C","HBNCHGPKFBUAGH-UHFFFAOYSA-N",399552,NA,"PDBC56443","710416","Present",NA,NA
+"56444","[8-Oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 2-pyridin-1-ium-1-ylacetate;chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[8-Oxo-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-5-yl] 2-pyridin-1-ium-1-ylacetate;chloride",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OC(=O)C[N+]6=CC=CC=C6.[Cl-]","SDUGGZXPGJTZJV-UHFFFAOYSA-M",24201072,NA,"PDBC56444","403163","Present",NA,NA
+"56445","[9-(Methoxymethyl)-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[9-(Methoxymethyl)-2-methyl-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate",NA,"CC1=NC2=C(C3=C(N2COC)C=CC(=C3)OC(=O)C)C(=O)O1","QACPAUUVVFHQKW-UHFFFAOYSA-N",384426,NA,"PDBC56445","674203","Present",NA,NA
+"56446","[9-Benzyl-2-(dimethylamino)-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[9-Benzyl-2-(dimethylamino)-4-oxo-[1,3]oxazino[4,5-b]indol-6-yl] acetate",NA,"CC(=O)OC1=CC2=C(C=C1)N(C3=C2C(=O)OC(=N3)N(C)C)CC4=CC=CC=C4","ZSYYVVYZRZGBAH-UHFFFAOYSA-N",384420,NA,"PDBC56446","674197","Present",NA,NA
+"56447","[9-[6-[[4-[2-[4-[[3-(2-Ethoxyphenyl)-4-oxoquinazolin-2-yl]methyl]piperazin-1-yl]-2-oxoethoxy]phenyl]methylamino]hexyl]-9-azabicyclo[3.3.1]nonan-3-yl] N-(2-methoxy-5-methylphenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"9-{6-[({4-[2-(4-{[3-(2-ethoxyphenyl)-4-oxo-3,4-dihydroqu...",NA,"CCOC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CN4CCN(CC4)C(=O)COC5=CC=C(C=C5)CNCCCCCCN6C7CCCC6CC(C7)OC(=O)NC8=C(C=CC(=C8)C)OC","NMJRVPZKOISERX-UHFFFAOYSA-N",124197470,NA,"PDBC56447","803066","Present",NA,NA
+"56448","[?] tetraoxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[?] tetraoxide",NA,"C1C2=C3C4=C(CS(=O)(=O)CC5=C4C6=C(C=CC(=C36)CS1(=O)=O)C=C5)C=C2","DDRZJALXEVUSMM-UHFFFAOYSA-N",393212,NA,"PDBC56448","694700","Present",NA,NA
+"56449","[?]carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[?]carbaldehyde",NA,"C1=CC=C2C(=C1)C3=C(N2)C4=C(C5=CC=CC=C5N4C=C3)C=O","NSKFTNZGUJVDEK-UHFFFAOYSA-N",378603,NA,"PDBC56449","661243","Present",NA,NA
+"56450","[?]dicarbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[?]dicarbaldehyde",NA,"C1C2=CC3=CC=CC=C3C=C1C=C(CC(=C2)C=O)C=O","FRXJPZZVAFPIRI-MBGCCUORSA-N",5388190,NA,"PDBC56450","633206","Present",NA,NA
+"56451","[?]diimine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[?]diimine",NA,"C1CSCCSC2=C(C=C3C(=C2)C(=NC3=N)N)SCCSC1","IIZQCRSULFFRRD-UHFFFAOYSA-N",387186,NA,"PDBC56451","680722","Present",NA,NA
+"56452","[?]triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[?]triamine",NA,"C1=C(C=C2C3=C1OC4=CC(=CC5=C4C3C6=C(O5)C=C(C=C6O2)N)N)N","LUOIXKQZXPGMRR-UHFFFAOYSA-N",393363,NA,"PDBC56452","695170","Present",NA,NA
+"56453","[?]yl N-(3,5-dinitrophenyl)carbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[?]yl N-(3,5-dinitrophenyl)carbamate",NA,"C1CC2C3C(O3)CC1C2OC(=O)NC4=CC(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-]","JDULDANUKPNHRN-UHFFFAOYSA-N",371765,NA,"PDBC56453","646208","Present",NA,NA
+"56454","[?]yl acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[?]yl acetate",NA,"CC(=O)OC1CC2C3=CC=CC=C3CC(O2)O1","AOBXPDROZXHCLF-UHFFFAOYSA-N",375428,NA,"PDBC56454","655149","Present",NA,NA
+"56455","[Acetyl-[5-(trityloxymethyl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclopentane]-6-yl]amino] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Acetyl-[5-(trityloxymethyl)spiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclopentane]-6-yl]amino] acetate",NA,"CC(=O)N(C1C(OC2C1OC3(O2)CCCC3)COC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)OC(=O)C","IYJIMVRWDNMAIH-UHFFFAOYSA-N",374290,NA,"PDBC56455","651809","Present",NA,NA
+"56456","[Amino(methylamino)methylidene]-methylazanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC650753",NA,"CNC(=[NH+]C)N.[Br-]","CVAHOSSNEIXARZ-UHFFFAOYSA-N",373791,NA,"PDBC56456","650753","Present",NA,NA
+"56457","[Au(dien)Cl]Cl2",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Au(dien)Cl]Cl2",NA,NA,NA,NA,NA,"PDBC56457","721296","Present",NA,NA
+"56458","[Au(terpy)Cl]Cl2]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Au(terpy)Cl]Cl2]",NA,NA,NA,NA,NA,"PDBC56458","721297","Present",NA,NA
+"56459","[Bis(N,N',N'-tetraethylethlendiamine)-mu-dihydrodroxo dicopper(II)]diperchlorate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Bis(N,N,N',N'-tetraethylethlendiamine)-.mu.-dihydrodrox...",NA,"CCN(CC)CCN(CC)CC.CCN(CC)CCN(CC)CC.[OH3+].[OH3+].[O-]Cl(=O)(=O)=O.[Cu+2].[Cu+2]","YEJNSEOAVASCLV-UHFFFAOYSA-O",54608549,NA,"PDBC56459","639085","Present",NA,NA
+"56460","[Bis(aminomethyl)cyclobutamethylenesilane]dichloroplatin...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Bis(aminomethyl)cyclobutamethylenesilane]dichloroplatin...",NA,NA,NA,NA,NA,"PDBC56460","645353","Present",NA,NA
+"56461","[Bis(aminomethyl)cyclobutamethylenesilane]tetrachloropla...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Bis(aminomethyl)cyclobutamethylenesilane]tetrachloropla...",NA,NA,NA,NA,NA,"PDBC56461","645354","Present",NA,NA
+"56462","[Bis(aminomethyl)cyclopentamethylenesilane]dichloroplati...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Bis(aminomethyl)cyclopentamethylenesilane]dichloroplati...",NA,NA,NA,NA,NA,"PDBC56462","645355","Present",NA,NA
+"56463","[Bis(aminomethyl)cyclopentamethylenesilane]tetrachloropl...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Bis(aminomethyl)cyclopentamethylenesilane]tetrachloropl...",NA,NA,NA,NA,NA,"PDBC56463","645356","Present",NA,NA
+"56464","[Bis(aminomethyl)diethylsilane]dichloroplatinum (II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Bis(aminomethyl)diethylsilane]dichloroplatinum (II)",NA,NA,NA,NA,NA,"PDBC56464","645351","Present",NA,NA
+"56465","[Bis(aminomethyl)diethylsilane]tetrachloroplatinum (IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Bis(aminomethyl)diethylsilane]tetrachloroplatinum (IV)",NA,NA,NA,NA,NA,"PDBC56465","645352","Present",NA,NA
+"56466","[Bis(dodecyloxy)phosphoryl]amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Phosphoramidic acid, didodecyl ester",NA,"CCCCCCCCCCCCOP(=O)(N)OCCCCCCCCCCCC","DWSIVZLNCWRJHW-UHFFFAOYSA-N",246980,NA,"PDBC56466","60673","Present",NA,NA
+"56467","[Butyl(hydroxy)-$l^{3}-iodanyl] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Butyl(hydroxy)-$l^{3}-iodanyl] 4-methylbenzenesulfonate",NA,"CCCCI(O)OS(=O)(=O)C1=CC=C(C=C1)C","CQVYBUCVJMJWJF-UHFFFAOYSA-N",389736,NA,"PDBC56467","686327","Present",NA,NA
+"56468","[C-(5-Nitrofuran-2-yl)-N-phenylcarbonimidoyl]sulfanyl 5-nitro-N-phenylfuran-2-carboximidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[C-(5-Nitrofuran-2-yl)-N-phenylcarbonimidoyl]sulfanyl 5-nitro-N-phenylfuran-2-carboximidothioate",NA,"C1=CC=C(C=C1)N=C(C2=CC=C(O2)[N+](=O)[O-])SSC(=NC3=CC=CC=C3)C4=CC=C(O4)[N+](=O)[O-]","FGDWBXDDXYLZBU-UHFFFAOYSA-N",397185,NA,"PDBC56468","704592","Present",NA,NA
+"56469","[Carboxymethyl-(2-{carboxymethyl-[(2-isothiocyanato-ethylcarbamoyl)-methyl]-amino}-cyclohexyl)-amino]-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[[2-[Bis(carboxymethyl)amino]cyclohexyl]-[2-(2-isothiocyanatoethylamino)-2-oxoethyl]amino]acetic acid",NA,"C1CCC(C(C1)N(CC(=O)NCCN=C=S)CC(=O)O)N(CC(=O)O)CC(=O)O","YGADPBQROKNTDW-UHFFFAOYSA-N",384595,NA,"PDBC56469","674607","Present",NA,NA
+"56470","[Chlorido(eta6-p-cymene)(N-{4-fluorophenyl}-2-pyridineca...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Chlorido(eta6-p-cymene)(N-{4-fluorophenyl}-2-pyridineca...",NA,NA,NA,NA,NA,"PDBC56470","776415","Present",NA,NA
+"56471","[Chloro(diphenyl)stannyl] (1E)-1-cyano-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]methanimidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Chloro(diphenyl)stannyl] (1E)-1-cyano-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]methanimidothioate",NA,"CN(C)C1=CC=C(C=C1)C=NN=C(C#N)S[Sn](C2=CC=CC=C2)(C3=CC=CC=C3)Cl","ZUJGOQTYEGYBMW-MEVDHSCASA-L",9569898,NA,"PDBC56471","623158","Present",NA,NA
+"56472","[Co(Me2dtc)2(DEE)]ClO4",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Co(Me2dtc)2(DEE)]ClO4",NA,NA,NA,NA,NA,"PDBC56472","688298","Present",NA,NA
+"56473","[Cyano-[3-(2-oxo-2-phenylmethoxyethoxy)phenyl]methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[3-(2-Benzyloxy-2-oxo-ethoxy)phenyl]-cyano-methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate",NA,"CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OCC(=O)OCC3=CC=CC=C3)C","BURZSXCTXTUFJW-UHFFFAOYSA-N",398946,NA,"PDBC56473","709314","Present",NA,NA
+"56474","[Di-17alpha/beta-(2-ethoxy-3-hydroxyestra-1,5(10)-triene)-]sulphite",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Di-17.alpha./.beta.-(2-ethoxy-3-hydroxyestra-1,3,5(10)-...",NA,"CCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4OS(=O)OC5CCC6C5(CCC7C6CCC8=CC(=C(C=C78)OCC)O)C)C)O.CCOC(=O)C","WDIILFBAERMRLN-ULBQJDBASA-N",389907,NA,"PDBC56474","686560","Present",NA,NA
+"56475","[Dibromo(triphenylphosphaniumyl)methyl]-triphenylphosphanium;bromide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC624844",NA,"C1=CC=C(C=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C([P+](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)(Br)Br.[Br-]","UTHFFEJFIRRCMR-UHFFFAOYSA-M",361627,NA,"PDBC56475","624844","Present",NA,NA
+"56476","[Dibutyl-(2,3-difluorobenzoyl)oxy-stannyl] 2,3-difluorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Dibutyl-(2,3-difluorobenzoyl)oxy-stannyl] 2,3-difluorobenzoate",NA,"CCCC[Sn](CCCC)(OC(=O)C1=C(C(=CC=C1)F)F)OC(=O)C2=C(C(=CC=C2)F)F","NJRFRYBNPJGKEI-UHFFFAOYSA-L",16683576,NA,"PDBC56476","643842","Present",NA,NA
+"56477","[Dibutyl-(2,5-difluorobenzoyl)oxy-stannyl] 2,5-difluorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Dibutyl-(2,5-difluorobenzoyl)oxy-stannyl] 2,5-difluorobenzoate",NA,"CCCC[Sn](CCCC)(OC(=O)C1=C(C=CC(=C1)F)F)OC(=O)C2=C(C=CC(=C2)F)F","UFWXWAVZQPTJFY-UHFFFAOYSA-L",16683578,NA,"PDBC56477","643844","Present",NA,NA
+"56478","[Dibutyl-(2,6-difluorobenzoyl)oxy-stannyl] 2,6-difluorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Dibutyl-(2,6-difluorobenzoyl)oxy-stannyl] 2,6-difluorobenzoate",NA,"CCCC[Sn](CCCC)(OC(=O)C1=C(C=CC=C1F)F)OC(=O)C2=C(C=CC=C2F)F","LFPHODRBEOHWJR-UHFFFAOYSA-L",16683188,NA,"PDBC56478","643841","Present",NA,NA
+"56479","[Dibutyl-(2-methylsulfanylpyridine-3-carbonyl)oxy-stannyl] 2-methylsulfanylpyridine-3-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Dibutyl-(2-methylsulfanylpyridine-3-carbonyl)oxy-stannyl] 2-methylsulfanylpyridine-3-carboxylate",NA,"CCCC[Sn](CCCC)(OC(=O)C1=C(N=CC=C1)SC)OC(=O)C2=C(N=CC=C2)SC","BTEGEIUATUJPQX-UHFFFAOYSA-L",16683205,NA,"PDBC56479","643861","Present",NA,NA
+"56480","[Dibutyl-(3,5-difluorobenzoyl)oxy-stannyl] 3,5-difluorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Dibutyl-(3,5-difluorobenzoyl)oxy-stannyl] 3,5-difluorobenzoate",NA,"CCCC[Sn](CCCC)(OC(=O)C1=CC(=CC(=C1)F)F)OC(=O)C2=CC(=CC(=C2)F)F","VNMHVCHGHXASMI-UHFFFAOYSA-L",16683577,NA,"PDBC56480","643843","Present",NA,NA
+"56481","[Dibutyl-(3-fluorobenzoyl)oxy-stannyl] 3-fluorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Dibutyl-(3-fluorobenzoyl)oxy-stannyl] 3-fluorobenzoate",NA,"CCCC[Sn](CCCC)(OC(=O)C1=CC(=CC=C1)F)OC(=O)C2=CC(=CC=C2)F","JKWNSHGDTKYHAP-UHFFFAOYSA-L",16683187,NA,"PDBC56481","643839","Present",NA,NA
+"56482","[Dibutyl-(5-oxopyrrolidine-2-carbonyl)oxy-stannyl] 5-oxopyrrolidine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Dibutyl-(5-oxopyrrolidine-2-carbonyl)oxy-stannyl] 5-oxopyrrolidine-2-carboxylate",NA,"CCCC[Sn](CCCC)(OC(=O)C1CCC(=O)N1)OC(=O)C2CCC(=O)N2","MPDSKQBYIDMGJJ-UHFFFAOYSA-L",16683181,NA,"PDBC56482","633516","Present",NA,NA
+"56483","[Dibutyl-[2-(4-fluorophenyl)acetyl]oxy-stannyl] 2-(4-fluorophenyl)acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Dibutyl-[2-(4-fluorophenyl)acetyl]oxy-stannyl] 2-(4-fluorophenyl)acetate",NA,"CCCC[Sn](CCCC)(OC(=O)CC1=CC=C(C=C1)F)OC(=O)CC2=CC=C(C=C2)F","RPNGBVBSFYVLTC-UHFFFAOYSA-L",16683202,NA,"PDBC56483","643858","Present",NA,NA
+"56484","[Dicyano-(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)methyl]sodium",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Dicyano-(6-methylsulfanyl-1,2,4,5-tetrazin-3-yl)methyl]sodium",NA,"CSC1=NN=C(N=N1)[C-](C#N)C#N.[Na+]","MWMSNTLIIJAMLV-UHFFFAOYSA-N",494487,NA,"PDBC56484","625238","Present",NA,NA
+"56485","[Diethyl-(2,3,4-trimethoxybenzoyl)oxy-stannyl] 2,3,4-trimethoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Diethyl-(2,3,4-trimethoxybenzoyl)oxy-stannyl] 2,3,4-trimethoxybenzoate",NA,"CC[Sn](CC)(OC(=O)C1=C(C(=C(C=C1)OC)OC)OC)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC","OVUXKBCZVCGNNU-UHFFFAOYSA-L",16683186,NA,"PDBC56485","643836","Present",NA,NA
+"56486","[Diethyl-(2-fluorobenzoyl)oxy-stannyl] 2-fluorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Diethyl-(2-fluorobenzoyl)oxy-stannyl] 2-fluorobenzoate",NA,"CC[Sn](CC)(OC(=O)C1=CC=CC=C1F)OC(=O)C2=CC=CC=C2F","RXLHRTUOGPUNHT-UHFFFAOYSA-L",16683574,NA,"PDBC56486","643838","Present",NA,NA
+"56487","[Diethyl-(4-fluorobenzoyl)oxy-stannyl] 4-fluorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Diethyl-(4-fluorobenzoyl)oxy-stannyl] 4-fluorobenzoate",NA,"CC[Sn](CC)(OC(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC=C(C=C2)F","GKNVYQKQEPQPNB-UHFFFAOYSA-L",16683575,NA,"PDBC56487","643840","Present",NA,NA
+"56488","[Diphenyl(pyridine-2-carbonyloxy)stannyl] pyridine-2-carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Diphenyl(pyridine-2-carbonyloxy)stannyl] pyridine-2-carboxylate",NA,"C1=CC=C(C=C1)[Sn](C2=CC=CC=C2)(OC(=O)C3=CC=CC=N3)OC(=O)C4=CC=CC=N4","HQGMJWTVQKNFQG-UHFFFAOYSA-L",16683508,NA,"PDBC56488","353500","Present",NA,NA
+"56489","[Diphenyl-[(1,3,5,7-tetramethyl-2,2,6,6-tetraoxo-2$l^{6},6$l^{6}-dithia-1,3,5,7-tetraza-4$l^{5}-phosphaspiro[3.3]heptan-4-yl)imino]-$l^{5}-phosphanyl]methyl-diphenyl-[(1,3,5,7-tetramethyl-2,2,6,6-tetraoxo-2$l^{6},6$l^{6}-dithia-1,3,5,7-tetraza-4$l^{5}-phosphaspiro[3.3]heptan-4-yl)imino]-$l^{5}-phosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Diphenyl-[(1,3,5,7-tetramethyl-2,2,6,6-tetraoxo-2lambda6,6lambda6-dithia-1,3,5,7-tetraza-4lambda5-phosphaspiro[3.3]heptan-4-yl)imino]-lambda5-phosphanyl]methyl-diphenyl-[(1,3,5,7-tetramethyl-2,2,6,6-",NA,"CN1P2(N(S1(=O)=O)C)(N(S(=O)(=O)N2C)C)N=P(CP(=NP34(N(S(=O)(=O)N3C)C)N(S(=O)(=O)N4C)C)(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8","VCKAWRCNLNTSJZ-UHFFFAOYSA-N",371580,NA,"PDBC56489","645930","Present",NA,NA
+"56490","[Ethynylenebis(o-phenylene)]bis(boronic acid)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[2-[2-(2-Boronophenyl)ethynyl]phenyl]boronic acid",NA,"B(C1=CC=CC=C1C#CC2=CC=CC=C2B(O)O)(O)O","DSKIOYIXIRNDJS-UHFFFAOYSA-N",346619,NA,"PDBC56490","404895","Present",NA,NA
+"56491","[Fluoro(phenyl)boranyl] 2-(dimethylamino)-2-phenyl-acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Fluoro(phenyl)boranyl] 2-(dimethylamino)-2-phenyl-acetate",NA,NA,NA,NA,NA,"PDBC56491","656982","Present",NA,NA
+"56492","[Fluoro(phenyl)boranyl] 2-[(E)-dimethylaminomethyleneamino]-3-methyl-butanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Fluoro(phenyl)boranyl] 2-[(E)-dimethylaminomethyleneamino]-3-methyl-butanoate",NA,NA,NA,NA,NA,"PDBC56492","656984","Present",NA,NA
+"56493","[Fluoro(phenyl)boranyl] 2-[(E)-dimethylaminomethyleneamino]-3-phenyl-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Fluoro(phenyl)boranyl] 2-[(E)-dimethylaminomethyleneamino]-3-phenyl-propanoate",NA,NA,NA,NA,NA,"PDBC56493","656983","Present",NA,NA
+"56494","[Hydroxy(2,2,2-trifluoroethyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Hydroxy(2,2,2-trifluoroethyl)-$l^{3}-iodanyl] 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OI(CC(F)(F)F)O","ZYHCFORBWQPSCI-UHFFFAOYSA-N",390375,NA,"PDBC56494","687717","Present",NA,NA
+"56495","[Hydroxy(2,2,2-trifluoroethyl)-$l^{3}-iodanyl] trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Hydroxy(2,2,2-trifluoroethyl)-$l^{3}-iodanyl] trifluoromethanesulfonate",NA,"C(C(F)(F)F)I(O)OS(=O)(=O)C(F)(F)F","QWXILXYKCKXYHH-UHFFFAOYSA-N",390374,NA,"PDBC56495","687716","Present",NA,NA
+"56496","[Methyl(phenylcarbamoyl)amino] N,N-dimethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"urea, n-[[(dimethylamino)thioxomethyl]thio]-n-methyl-n'-...",NA,"CN(C)C(=S)SN(C)C(=O)NC1=CC=CC=C1","DKRAKKBEWHKUMN-UHFFFAOYSA-N",293865,NA,"PDBC56496","161128","Present",NA,NA
+"56497","[Methylenebis[p-phenyleneimino[(2-furyl)methylene]]]bis(phosphonic acid dimethyl) ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[Dimethoxyphosphoryl(furan-2-yl)methyl]-4-[[4-[[dimethoxyphosphoryl(furan-2-yl)methyl]amino]phenyl]methyl]aniline",NA,"COP(=O)(C(C1=CC=CO1)NC2=CC=C(C=C2)CC3=CC=C(C=C3)NC(C4=CC=CO4)P(=O)(OC)OC)OC","XDFWRXORNCTNQE-UHFFFAOYSA-N",399251,NA,"PDBC56497","709928","Present",NA,NA
+"56498","[N,N,N',N'-Tetramethylethylenediamine carboxyboronium] b...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[N,N,N',N'-Tetramethylethylenediamine carboxyboronium] b...",NA,NA,NA,NA,NA,"PDBC56498","680213","Present",NA,NA
+"56499","[N-(4-Methoxyphenyl)-C-(5-nitrofuran-2-yl)carbonimidoyl]sulfanyl N-(4-methoxyphenyl)-5-nitrofuran-2-carboximidothioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[N-(4-Methoxyphenyl)-C-(5-nitrofuran-2-yl)carbonimidoyl]sulfanyl N-(4-methoxyphenyl)-5-nitrofuran-2-carboximidothioate",NA,"COC1=CC=C(C=C1)N=C(C2=CC=C(O2)[N+](=O)[O-])SSC(=NC3=CC=C(C=C3)OC)C4=CC=C(O4)[N+](=O)[O-]","VBYTTYBVVZAKLZ-UHFFFAOYSA-N",397186,NA,"PDBC56499","704593","Present",NA,NA
+"56500","[N-MePhe]5 didemnin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[N-MePhe]5 didemnin B",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(C)O)C)CC4=CC=CC=C4)C)CC(C)C)C)C(C)C)O","PFFJTBZAHBUDOE-HUMPRVKGSA-N",391564,NA,"PDBC56500","690969","Present",NA,NA
+"56501","[O-(PHENYLCARBAMOYL)PHENOXY]ACETIC ACID",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[O-(PHENYLCARBAMOYL)PHENOXY]ACETIC ACID",NA,"C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2OCC(=O)O","RCMAKYLCUAZCEW-UHFFFAOYSA-N",94724,NA,"PDBC56501","531","Present",NA,NA
+"56502","[Oxiran-2-yl(phenyl)methyl] N-benzoylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Oxiran-2-yl(phenyl)methyl] N-benzoylcarbamate",NA,"C1C(O1)C(C2=CC=CC=C2)OC(=O)NC(=O)C3=CC=CC=C3","QDPVIPSPRANDKI-UHFFFAOYSA-N",388769,NA,"PDBC56502","683847","Present",NA,NA
+"56503","[Phenyl-[phenyl(trifluoromethylsulfonyloxy)-$l^{3}-iodanyl]oxy-$l^{3}-iodanyl] trifluoromethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Phenyl-[phenyl(trifluoromethylsulfonyloxy)-lambda3-iodanyl]oxy-lambda3-iodanyl] trifluoromethanesulfonate",NA,"C1=CC=C(C=C1)I(OS(=O)(=O)C(F)(F)F)OI(C2=CC=CC=C2)OS(=O)(=O)C(F)(F)F","FAIBFONUPBMEFF-UHFFFAOYSA-N",370804,NA,"PDBC56503","644326","Present",NA,NA
+"56504","[Sulfanediyldi(4,1-phenylene)]bis(diphenylsulfanium) bis[hexafluoridophosphate(1-)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[Sulfanediyldi(4,1-phenylene)]bis(diphenylsulfanium) bis[hexafluoridophosphate(1-)]",NA,NA,NA,NA,NA,"PDBC56504","645238","Present",NA,NA
+"56505","[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]oxy-dibutyl-stannyl] 2-aminobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(2-Aminobenzoyl)oxy-dibutyl-stannyl]oxy-dibutyl-stannyl] 2-aminobenzoate",NA,NA,NA,NA,NA,"PDBC56505","628573","Present",NA,NA
+"56506","[[(2-Hydroxy-3-morpholino-propyl)amino]-phosphono-methyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(2-Hydroxy-3-morpholino-propyl)amino]-phosphono-methyl]phosphonic acid",NA,"C1COCCN1CC(CNC(P(=O)(O)O)P(=O)(O)O)O","PLXPPHXWVKMKAV-UHFFFAOYSA-N",394265,NA,"PDBC56506","697588","Present",NA,NA
+"56507","[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-hydroxypropoxy)oxolan-2-yl]methyl hydrogen phosphate;azane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(3-hydroxypropoxy)oxolan-2-yl]methyl hydrogen phosphate;azane",NA,"C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)OCCCO)O)O)O)O)N.N","DBNZQHIOMPBXOP-KSJQKZGBSA-N",401117,NA,"PDBC56507","714018","Present",NA,NA
+"56508","[[(2Z)-2-(1-Adamantylimino)-4-hydroxy-4-(p-tolyl)thiazolidin-3-yl]-phosphono-methyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(2Z)-2-(1-Adamantylimino)-4-hydroxy-4-(p-tolyl)thiazolidin-3-yl]-phosphono-methyl]phosphonic acid",NA,"CC1=CC=C(C=C1)C2(CSC(=NC34CC5CC(C3)CC(C5)C4)N2C(P(=O)(O)O)P(=O)(O)O)O","FUBICIRCYYLHOK-UHFFFAOYSA-N",394264,NA,"PDBC56508","697587","Present",NA,NA
+"56509","[[(3E)-3-Amino-3-benzoyloxyiminopropanoyl]amino] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(3E)-3-Amino-3-benzoyloxyiminopropanoyl]amino] benzoate",NA,"C1=CC=C(C=C1)C(=O)ONC(=O)CC(=NOC(=O)C2=CC=CC=C2)N","OGVLASGSFDFSCU-UHFFFAOYSA-N",5878066,NA,"PDBC56509","58902","Present",NA,NA
+"56510","[[(3Z)-3-Amino-3-benzoyloxyimino-2-benzylpropanoyl]amino] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Hydrocinnamohydroxamic acid,.alpha.-(N-hydroxyamidino)-,...",NA,"C1=CC=C(C=C1)CC(C(=NOC(=O)C2=CC=CC=C2)N)C(=O)NOC(=O)C3=CC=CC=C3","ALIGJLBZICSLLG-UHFFFAOYSA-N",44825806,NA,"PDBC56510","58904","Present",NA,NA
+"56511","[[(3Z)-3-Amino-3-benzoyloxyimino-2-cyclohexylpropanoyl]amino] benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(3Z)-3-Amino-3-benzoyloxyimino-2-cyclohexylpropanoyl]amino] benzoate",NA,"C1CCC(CC1)C(C(=NOC(=O)C2=CC=CC=C2)N)C(=O)NOC(=O)C3=CC=CC=C3","GVWUKOPRGKMIMS-UHFFFAOYSA-N",44825805,NA,"PDBC56511","58903","Present",NA,NA
+"56512","[[(E)-3-(4-Chlorophenyl)-3-oxoprop-1-enyl]sulfanyl-methylsulfanylmethylidene]cyanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"S-[3-(4-Chloro-phenyl)-3-oxo-prop-1-en-1-yl] S'-methyl c...",NA,"CSC(=NC#N)SC=CC(=O)C1=CC=C(C=C1)Cl","VQOLKYYMLBSEJT-AXUHJDFSSA-N",7021609,NA,"PDBC56512","724284","Present",NA,NA
+"56513","[[(Z)-(3-Allyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(Z)-(3-Allyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid",NA,"C=CCN1C(=CSC1=NC(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2","LDYGYTKBTAVZPK-OWBHPGMISA-N",9572059,NA,"PDBC56513","697580","Present",NA,NA
+"56514","[[(Z)-(3-Ethyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(Z)-(3-Ethyl-4-phenyl-thiazol-2-ylidene)amino]-phosphono-methyl]phosphonic acid",NA,"CCN1C(=CSC1=NC(P(=O)(O)O)P(=O)(O)O)C2=CC=CC=C2","SPPXMHOVMADHNE-QBFSEMIESA-N",9572062,NA,"PDBC56514","697583","Present",NA,NA
+"56515","[[(Z)-[3-Allyl-4-(3,5-ditert-butyl-4-hydroxy-phenyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(Z)-[4-(3,5-Ditert-butyl-4-hydroxyphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-phosphonomethyl]phosphonic acid",NA,"CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CSC(=NC(P(=O)(O)O)P(=O)(O)O)N2CC=C","UJUPMTOMUWJFFQ-PYCFMQQDSA-N",9572061,NA,"PDBC56515","697582","Present",NA,NA
+"56516","[[(Z)-[3-Allyl-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(Z)-[3-Allyl-4-(4-nitrophenyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid",NA,"C=CCN1C(=CSC1=NC(P(=O)(O)O)P(=O)(O)O)C2=CC=C(C=C2)[N+](=O)[O-]","RPQVNOFEHXJEKF-OWBHPGMISA-N",9572060,NA,"PDBC56516","697581","Present",NA,NA
+"56517","[[(Z)-[3-Ethyl-4-(p-tolyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[(Z)-[3-Ethyl-4-(p-tolyl)thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid",NA,"CCN1C(=CSC1=NC(P(=O)(O)O)P(=O)(O)O)C2=CC=C(C=C2)C","QZJZHHHGCXRDLZ-OWBHPGMISA-N",9572063,NA,"PDBC56517","697584","Present",NA,NA
+"56518","[[1,3-Bis(dicyanomethylidene)inden-2-yl]-(4-methoxyphenyl)methyl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[1,3-Bis(dicyanomethylidene)-2,3-dihydro-1h-inden-2-yl](4-methoxyphenyl)methyl acetate",NA,"CC(=O)OC(C1C(=C(C#N)C#N)C2=CC=CC=C2C1=C(C#N)C#N)C3=CC=C(C=C3)OC","QZKPEWUFUJFXBZ-UHFFFAOYSA-N",400763,NA,"PDBC56518","713194","Present",NA,NA
+"56519","[[2-(3-Nitropyrazol-1-yl)acetyl]amino] propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[2-(3-Nitropyrazol-1-yl)acetyl]amino] propanoate",NA,"CCC(=O)ONC(=O)CN1C=CC(=N1)[N+](=O)[O-]","KBMLOWDWLMGYHV-UHFFFAOYSA-N",383763,NA,"PDBC56519","672205","Present",NA,NA
+"56520","[[2-Oxo-1-(triphenyl-lambda5-phosphanylidene)propyl]-phenyl-lambda3-iodanyl] 4-methylbenzenesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[2-Oxo-1-(triphenyl-lambda5-phosphanylidene)propyl]-phenyl-lambda3-iodanyl] 4-methylbenzenesulfonate",NA,"CC1=CC=C(C=C1)S(=O)(=O)OI(C2=CC=CC=C2)C(=P(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C(=O)C","COSKTJZVTYCYMI-UHFFFAOYSA-N",404461,NA,"PDBC56520","720673","Present",NA,NA
+"56521","[[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-[2-(dimethylamino)ethoxy]-1H-indole-2-yl] ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-[5-[2-(dimethylamino)ethoxy]-1H-indol-2-yl]methanone",NA,"CN(C)CCOC1=CC2=C(C=C1)NC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl","YUGGIBNMRNWUKD-UHFFFAOYSA-N",395800,NA,"PDBC56521","700644","Present",NA,NA
+"56522","[[3-(Chloromethyl)-6-amino-2,3-dihydro-1H-indole]-1-yl][5-methoxy-7-[2-(dimethylamino)ethoxy]-1H-indole-2-yl] ketone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[6-Amino-3-(chloromethyl)-2,3-dihydroindol-1-yl]-[7-[2-(dimethylamino)ethoxy]-5-methoxy-1H-indol-2-yl]methanone",NA,"CN(C)CCOC1=C2C(=CC(=C1)OC)C=C(N2)C(=O)N3CC(C4=C3C=C(C=C4)N)CCl","LNEMXPLUFRMJPR-UHFFFAOYSA-N",395799,NA,"PDBC56522","700643","Present",NA,NA
+"56523","[[4-(2,2-Dicyanoethenyl)phenyl]-hydroxymethyl]phosphonic acid;methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[4-(2,2-Dicyanoethenyl)phenyl]-hydroxymethyl]phosphonic acid;methanol",NA,"CO.C1=CC(=CC=C1C=C(C#N)C#N)C(O)P(=O)(O)O","LCMKCEWZRRZPTF-UHFFFAOYSA-N",364973,NA,"PDBC56523","631877","Present",NA,NA
+"56524","[[4-(3-Aminophenyl)-2-pyridyl]methyleneamino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-APPT",NA,"C1=CC(=CC(=C1)N)C2=CC(=NC=C2)C=NNC(=S)N","HUJXMLQQCAEBCK-CAOOACKPSA-N",9556427,NA,"PDBC56524","195327","Present",NA,NA
+"56525","[[4-[Chloro(difluoro)methyl]-5,5,5-trifluoro-4-hydroxy-2-oxo-pentyl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[4-[Chloro(difluoro)methyl]-5,5,5-trifluoro-4-hydroxy-2-oxo-pentyl]amino]thiourea",NA,"C(C(=O)CNNC(=S)N)C(C(F)(F)F)(C(F)(F)Cl)O","PZAYKHGZXOZPKA-UHFFFAOYSA-N",3004932,NA,"PDBC56525","663990","Present",NA,NA
+"56526","[[4-[Cyano(phenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]amino] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2,5-Cyclohexadiene-.delta.(1,.alpha.)-acetonitrile, 4-ox...",NA,"CC(=O)ON=C1C=CC(=C(C#N)C2=CC=CC=C2)C=C1","LCPOATCJCJOUDL-UHFFFAOYSA-N",352429,NA,"PDBC56526","526333","Present",NA,NA
+"56527","[[5-(4-Amino-2-oxopyrimidin-1-yl)-3-azidooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[5-(4-Amino-2-oxopyrimidin-1-yl)-3-azidooxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate",NA,NA,NA,NA,NA,"PDBC56527","619073","Present",NA,NA
+"56528","[[5-(5-Fluoro-2, 4-dihydroxyoxolan-2-yl]methoxy-ydroxyphosphoryl] [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] hydrogen phosphate, disodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[5-(5-fluoro-2,4-dioxopyrimidin-1-yl)-3, 4-dihydroxyoxo...",NA,"C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O)F.[Na+]","XMLSDAAWXRPOLP-UHFFFAOYSA-N",54609809,NA,"PDBC56528","59220","Present",NA,NA
+"56529","[[5-[(Carbamothioylamino)carbamoyl]-2,6-dimethyl-pyridine-3-carbonyl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[5-[(Carbamothioylamino)carbamoyl]-2,6-dimethyl-pyridine-3-carbonyl]amino]thiourea",NA,"CC1=C(C=C(C(=N1)C)C(=O)NNC(=S)N)C(=O)NNC(=S)N","JFHAAORTPAYFOK-UHFFFAOYSA-N",3000644,NA,"PDBC56529","657665","Present",NA,NA
+"56530","[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[7-Methyl-8-(3,4,5-trimethoxyphenyl)-7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-6-yl]amino]thiourea",NA,"CC1C(C2=CC3=C(C=C2OC1NNC(=S)N)OCO3)C4=CC(=C(C(=C4)OC)OC)OC","JUNCLJIIVWLKKX-UHFFFAOYSA-N",3807643,NA,"PDBC56530","670270","Present",NA,NA
+"56531","[[Diethyl-(2-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-fluorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[Diethyl-(2-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-fluorobenzoate",NA,"CC[Sn](CC)(OC(=O)C1=CC=CC=C1F)O[Sn](CC)(CC)OC(=O)C2=CC=CC=C2F","CNUUBERLCTZYSJ-UHFFFAOYSA-L",16683193,NA,"PDBC56531","643849","Present",NA,NA
+"56532","[[Diethyl-(2-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[Diethyl-(2-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 2-methoxybenzoate",NA,"CC[Sn](CC)(OC(=O)C1=CC=CC=C1OC)O[Sn](CC)(CC)OC(=O)C2=CC=CC=C2OC","KNAIYLKQKWHPHW-UHFFFAOYSA-L",16683200,NA,"PDBC56532","643856","Present",NA,NA
+"56533","[[Diethyl-(3-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-fluorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[Diethyl-(3-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-fluorobenzoate",NA,"CC[Sn](CC)(OC(=O)C1=CC(=CC=C1)F)O[Sn](CC)(CC)OC(=O)C2=CC(=CC=C2)F","UEFYXQVSHOACMZ-UHFFFAOYSA-L",16683194,NA,"PDBC56533","643850","Present",NA,NA
+"56534","[[Diethyl-(3-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-methoxybenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[Diethyl-(3-methoxybenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 3-methoxybenzoate",NA,"CC[Sn](CC)(OC(=O)C1=CC(=CC=C1)OC)O[Sn](CC)(CC)OC(=O)C2=CC(=CC=C2)OC","LGXJZWWKGOURHP-UHFFFAOYSA-L",16683201,NA,"PDBC56534","643857","Present",NA,NA
+"56535","[[Diethyl-(4-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 4-fluorobenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[[Diethyl-(4-fluorobenzoyl)oxy-stannyl]oxy-diethyl-stannyl] 4-fluorobenzoate",NA,"CC[Sn](CC)(OC(=O)C1=CC=C(C=C1)F)O[Sn](CC)(CC)OC(=O)C2=CC=C(C=C2)F","DLMMBRDXIFLIFO-UHFFFAOYSA-L",16683195,NA,"PDBC56535","643851","Present",NA,NA
+"56536","[acetyl(diphenyl)[?]yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[acetyl(diphenyl)[?]yl] acetate",NA,"CC(=O)C1(CC2(C3=CC=CC=C3C1(O2)C4=CC=CC=C4)C5=CC=CC=C5)OC(=O)C","ADKUELIPIQGUGR-UHFFFAOYSA-N",363302,NA,"PDBC56536","628121","Present",NA,NA
+"56537","[alpha-[(4-Chlorophenyl)sulfinyl]benzylidene]triphenylphosphorane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[alpha-[(4-Chlorophenyl)sulfinyl]benzylidene]triphenylphosphorane",NA,"C1=CC=C(C=C1)C(=P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)S(=O)C5=CC=C(C=C5)Cl","YUAUQVIUYAEULS-UHFFFAOYSA-N",400906,NA,"PDBC56537","713590","Present",NA,NA
+"56538","[anilino(dioxo)[?]yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[anilino(dioxo)[?]yl] acetate",NA,"CC(=O)OC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)NC6=CC=CC=C6","MXCCIBPCRKIEHR-UHFFFAOYSA-N",379882,NA,"PDBC56538","665074","Present",NA,NA
+"56539","[benzoyl(cyano)[?]yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[benzoyl(cyano)[?]yl] acetate",NA,"CC(=O)OC1(CC2C3C(C1O2)N3C(=O)C4=CC=CC=C4)C#N","XUNQNYQCEGTCCM-UHFFFAOYSA-N",368692,NA,"PDBC56539","639824","Present",NA,NA
+"56540","[dioxo(2-pyridyl)[?]yl] acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[dioxo(2-pyridyl)[?]yl] acetate",NA,"CC(=O)OC12C3C(C(C4=CC=CC=C41)C5=CC=CC=C25)C(=O)N(C3=O)C6=CC=CC=N6","RNLFYMBCRTUCSB-UHFFFAOYSA-N",379880,NA,"PDBC56540","665072","Present",NA,NA
+"56541","abieta-8,11,13-trien-18-amine benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"abieta-8,11,13-trien-18-amine benzoate",NA,"CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C.C1=CC=C(C=C1)C(=O)O","OSVFSXQGUVYMIT-UHFFFAOYSA-N",248381,NA,"PDBC56541","65238","Present",NA,NA
+"56542","acetyl(diphenyl)[?]tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetyl(diphenyl)[?]tetrone",NA,"CC(=O)N1C2=CC=CC=C2C3=CC4C5C(C31C6C4C(=O)N(C6=O)C7=CC=CC=C7)C(=O)N(C5=O)C8=CC=CC=C8","BATGYPOYDXEYHJ-UHFFFAOYSA-N",363857,NA,"PDBC56542","629122","Present",NA,NA
+"56543","acetylaminoacridone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetylaminoacridone",NA,"CC(=O)NC1=CC=CC2=C1C(=O)C3=CC=CC=C3N2","YUUATMGTPBHZLR-UHFFFAOYSA-N",359495,NA,"PDBC56543","620477","Present",NA,NA
+"56544","acetylcopiamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acetylcopiamycin",NA,NA,NA,NA,NA,"PDBC56544","110326","Present",NA,NA
+"56545","actidione, benzoylacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"actidione, benzoylacetate",NA,"CC1CC(C(=O)C(C1)C(CC2CC(=O)NC(=O)C2)OC(=O)CC(=O)C3=CC=CC=C3)C","BCMABKOQTPATAU-BPQOCRPUSA-N",226619,NA,"PDBC56545","17257","Present",NA,NA
+"56546","acylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"acylurea",NA,"CCC1=C(C=C(C=C1)NC(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=NC=C(C=N3)Cl","FWQBQIPETMKPHV-UHFFFAOYSA-N",361502,NA,"PDBC56546","624546","Present",NA,NA
+"56547","allyl[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"allyl[?]dione",NA,"C=CCC1C(=O)NC2=CC=CC3=C2N(C1=O)C=N3","MIQRDOMWJJADKA-UHFFFAOYSA-N",393557,NA,"PDBC56547","695627","Present",NA,NA
+"56548","alpha And beta-Digoxin acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha. and .beta.-Digoxin acetate",NA,"CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)OC(=O)C)O.CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O)C)O)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC(=O)C)O)O","HHGZBZHWOWXYIL-UHFFFAOYSA-N",417451,NA,"PDBC56548","91580","Present",NA,NA
+"56549","alpha-((1-Naphthalenyloxy)methyl)-4-morpholineethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"F3368-0088",NA,"C1COCCN1CC(COC2=CC=CC3=CC=CC=C32)O","CGTJUMFMARLZOY-UHFFFAOYSA-N",98212,NA,"PDBC56549","89457","Present",NA,NA
+"56550","alpha-((2-(1-Methylethyl)-1-aziridinyl)methyl)-2-nitro-1H-imidazole-ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-(2-Isopropylaziridin-1-yl)-3-(2-nitro-1H-imidazol-1-yl...",NA,"CC(C)C1CN1CC(CN2C=CN=C2[N+](=O)[O-])O","IOLDQEUSULQVRY-UHFFFAOYSA-N",128712,NA,"PDBC56550","601095","Present",NA,NA
+"56551","alpha-(1-Butynyl)cyclopentaneglycolic acid 3-quinuclidinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-57978",NA,"CCC#CC(C1CCCC1)(C(=O)OC2CN3CCC2CC3)O","CMEALEXDKQTIIP-UHFFFAOYSA-N",380266,NA,"PDBC56551","665743","Present",NA,NA
+"56552","alpha-(1-Propynyl)cyclopropaneglycolic acid 3-quinuclidinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58785",NA,"CC#CC(C1CC1)(C(=O)OC2CN3CCC2CC3)O","WKVYOZYIPLKNSX-UHFFFAOYSA-N",56511,NA,"PDBC56552","665753","Present",NA,NA
+"56553","alpha-(1-Propynyl)mandelic acid 1-methyl-3-pyrrolidinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-89170",NA,"CC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(C2)C)O","MWQQUDKRJVZOJN-UHFFFAOYSA-N",58826,NA,"PDBC56553","665329","Present",NA,NA
+"56554","alpha-(2,3-Dimethoxy-6-chloroquinoxaline-5-yl)benzyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6-Chloro-2,3-dimethoxyquinoxalin-5-yl)(phenyl)methanol",NA,"COC1=NC2=C(C(=C(C=C2)Cl)C(C3=CC=CC=C3)O)N=C1OC","SQEBOTGWKGBEEF-UHFFFAOYSA-N",403437,NA,"PDBC56554","718238","Present",NA,NA
+"56555","alpha-(2-Methoxy-3-phenylquinoxaline-5-yl)benzyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(2-Methoxy-3-phenylquinoxalin-5-yl)(phenyl)methanol",NA,"COC1=NC2=CC=CC(=C2N=C1C3=CC=CC=C3)C(C4=CC=CC=C4)O","RROUYFJHEBBAKK-UHFFFAOYSA-N",403438,NA,"PDBC56555","718239","Present",NA,NA
+"56556","alpha-(4-Methoxy-6,8-dichloroquinazolin-7-yl)benzyl alcohol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(6,8-Dichloro-4-methoxyquinazolin-7-yl)(phenyl)methanol",NA,"COC1=NC=NC2=C(C(=C(C=C21)Cl)C(C3=CC=CC=C3)O)Cl","RDCCSIXAVAYADF-UHFFFAOYSA-N",403435,NA,"PDBC56556","718236","Present",NA,NA
+"56557","alpha-(4-Pyridyl)benzhydrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"W-107969",NA,"C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=NC=C3)O","MRHLFZXYRABVOZ-UHFFFAOYSA-N",74177,NA,"PDBC56557","525212","Present",NA,NA
+"56558","alpha-(Benzoylamino)-4-methoxy-trans-cinnamic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alpha-(Benzoylamino)-4-methoxy-trans-cinnamic acid methyl ester",NA,"COC1=CC=C(C=C1)C=C(C(=O)OC)NC(=O)C2=CC=CC=C2","WDACYIQYHUNYSE-VBKFSLOCSA-N",1271525,NA,"PDBC56558","619824","Present",NA,NA
+"56559","alpha-(Phenylethynyl)mandelic acid 3-quinuclidinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-89160",NA,"C1CN2CCC1C(C2)OC(=O)C(C#CC3=CC=CC=C3)(C4=CC=CC=C4)O","IHKNDYGDKUBCFR-UHFFFAOYSA-N",56512,NA,"PDBC56559","665687","Present",NA,NA
+"56560","alpha-2'-Deoxythioguanosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Beta-Thioguanine Deoxyriboside///A-TGdR",NA,"C1C(C(OC1N2C=NC3=C2NC(=NC3=S)N)CO)O","SCVJRXQHFJXZFZ-UHFFFAOYSA-N",3032861,NA,"PDBC56560","71261///71851","Present",NA,NA
+"56561","alpha-Amino-4-(3-nitrophenyl)-2-thiazolebutanoic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Amino-4-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]butanoic acid",NA,"C1=CC(=CC(=C1)[N+](=O)[O-])C2=CSC(=N2)CCC(C(=O)O)N","DHPIFJWVFMLLKD-UHFFFAOYSA-N",363919,NA,"PDBC56561","629308","Present",NA,NA
+"56562","alpha-Apoallobetulin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Apoallobetulin",NA,"CC(C)C1=C2CCC3(C(C2(CC1)C)CCC4C3(CCC56C4C(C(CC5)(C)C)OC6)C)C","XIZAYEJGPTUGCZ-UHFFFAOYSA-N",242324,NA,"PDBC56562","50882","Present",NA,NA
+"56563","alpha-Benzoyl-beta(beta-thienyl)-acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Benzoyl-.beta.(.beta.-thienyl)-acrylonitrile",NA,"C1=CC=C(C=C1)C(=O)C(=CC2=CSC=C2)C#N","KZVMODBOSJMHOE-JYRVWZFOSA-N",50990109,NA,"PDBC56563","643157","Present",NA,NA
+"56564","alpha-Benzoyl-beta-(2-pyridyl) ethyl acrylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Benzoyl-.beta.-(2-pyridyl) ethyl acrylate",NA,"CCOC(=O)C(=CC1=CC=CC=N1)C(=O)C2=CC=CC=C2","INQZNIPXRYJLCW-NTCAYCPXSA-N",50990111,NA,"PDBC56564","643038","Present",NA,NA
+"56565","alpha-Benzoyl-beta-(2-pyrryl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Benzoyl-.beta.-(2-pyrryl)acrylonitrile",NA,"C1=CC=C(C=C1)C(=O)C(=CC2=CC=CN2)C#N","TUKFFPXAFXRQFV-FMIVXFBMSA-N",5871006,NA,"PDBC56565","643150","Present",NA,NA
+"56566","alpha-Benzoyl-beta-(3-pyridyl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Benzoyl-.beta.-(3-pyridyl)acrylonitrile",NA,"C1=CC=C(C=C1)C(=O)C(=CC2=CN=CC=C2)C#N","XQVLGKFQGZQIKL-ZROIWOOFSA-N",54598753,NA,"PDBC56566","643144","Present",NA,NA
+"56567","alpha-Benzoyl-beta-(3-pyridyl)ethylene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(3-PYRIDYL)-ACRYLOPHENONE",NA,"C1=CC=C(C=C1)C(=O)C=CC2=CN=CC=C2","MHYINARESROASH-CMDGGOBGSA-N",5354062,NA,"PDBC56567","196","Present",NA,NA
+"56568","alpha-Benzylcyclopropaneglycolic acid 3-quinuclidinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-58784",NA,"C1CC1C(CC2=CC=CC=C2)(C(=O)OC3CN4CCC3CC4)O","CFCSBBISFREYTC-UHFFFAOYSA-N",58168,NA,"PDBC56568","665691","Present",NA,NA
+"56569","alpha-Bromo-gamma-valerolactone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"VZ31229",NA,"CC1CC(C(=O)O1)Br","FLOKBGAYTGLYGR-UHFFFAOYSA-N",98229,NA,"PDBC56569","91486","Present",NA,NA
+"56570","alpha-Bromoacetophenone O-(phenylcarbamoyl)oxime",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(E)-(2-Bromo-1-phenylethylidene)amino] N-phenylcarbamate",NA,"C1=CC=C(C=C1)C(=NOC(=O)NC2=CC=CC=C2)CBr","HGRCHYGLDVPBII-JXAWBTAJSA-N",9572474,NA,"PDBC56570","717187","Present",NA,NA
+"56571","alpha-Bromochalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Bromochalcone",NA,"C1=CC=C(C=C1)C=C(C(=O)C2=CC=CC=C2)Br","KRLKFHWRCHJJGA-KAMYIIQDSA-N",5383396,NA,"PDBC56571","32212","Present",NA,NA
+"56572","alpha-Cyclodextrin, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Cyclodextrin, compd. with hydroxy(2-pyridinyl) d...",NA,"C1=CC=NC(=C1)NN=O.C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)OC7C(OC(O2)C(C7O)O)CO)CO)CO)CO)CO)O)O)O.[Na+]","HHURMDKVXQZFPB-UHFFFAOYSA-N",54604827,NA,"PDBC56572","601346","Present",NA,NA
+"56573","alpha-Cyclohexanoblastine methanesulfonate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Cyclohexanoblastine methanesulfonate salt",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CC7CN(CCC8=C6NC9=CC=CC=C89)CC1C7CCCC1)C(=O)OC)OC)C.COS(=O)(=O)O","QOTVOWMCBCDJIY-SYZXSXPESA-N",11970033,NA,"PDBC56573","655616","Present",NA,NA
+"56574","alpha-Cyclohexyl-beta-(3,5-diiodo-4-hydroxyphenyl)propionic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Alpha-Cyclohexyl-Beta-(35-Diiodo-4-Hydroxyphenyl)Propionic Acid",NA,"C1CCC(CC1)C(CC2=CC(=C(C(=C2)I)O)I)C(=O)O","IPJUCJDVODBCRQ-UHFFFAOYSA-N",22792,NA,"PDBC56574","32963","Present",NA,NA
+"56575","alpha-Cyclopentoblastine methanesulfonate salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Cyclopentoblastine methanesulfonate salt",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CC7CN(CCC8=C6NC9=CC=CC=C89)CC1C7CCC1)C(=O)OC)OC)C.COS(=O)(=O)O","XUQAHZBKBGWRQR-UXIFXUQNSA-N",11970004,NA,"PDBC56575","651727","Present",NA,NA
+"56576","alpha-Cyclopiazonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclopiazonic acid",NA,"CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O","SZINUGQCTHLQAZ-UHFFFAOYSA-N",54675761,NA,"PDBC56576","117181","Present",NA,NA
+"56577","alpha-D-Glucopyranose, 4,6-O-(phenylmethylene)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-D-glucopyranose, 4,6-O-(phenylmethylene)-",NA,"C1C2C(C(C(C(O2)O)O)O)OC(O1)C3=CC=CC=C3","FOLRUCXBTYDAQK-UHFFFAOYSA-N",100089,NA,"PDBC56577","333861","Present",NA,NA
+"56578","alpha-D-Glucopyranoside, beta-D-fructofuranosyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sugar",NA,"C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O","CZMRCDWAGMRECN-UHFFFAOYSA-N",1115,NA,"PDBC56578","406942","Present",NA,NA
+"56579","alpha-D-Glucopyranoside, methyl 3-deoxy-3-[[(methylnitrosoamino)carbonyl]amino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-d-glucopyranoside, methyl 3-deoxy-3-[[(methylnit...",NA,"CN(C(=O)NC1C(C(OC(C1O)OC)CO)O)N=O","ITMFEGUZHKHAGY-UHFFFAOYSA-N",291285,NA,"PDBC56579","160466","Present",NA,NA
+"56580","alpha-Isopropenylmandelic acid 2-methyl-3-quinuclidinyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-89124",NA,"CC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C(=C)C)O","XNYLQHTXBORYNP-UHFFFAOYSA-N",58803,NA,"PDBC56580","665859","Present",NA,NA
+"56581","alpha-Methoxymethyl-4-o-tolyl-1-piperazineethanol methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-112419",NA,"CC1=CC=CC=C1N2CCN(CC2)CC(COC)OC(=O)NC","FQAYLEMUHCIKDA-UHFFFAOYSA-N",377668,NA,"PDBC56581","659249","Present",NA,NA
+"56582","alpha-Methyl-DL-tryptophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Methyltryptophan",NA,"CC(CC1=CNC2=CC=CC=C21)(C(=O)O)N","ZTTWHZHBPDYSQB-UHFFFAOYSA-N",95438,NA,"PDBC56582","9948","Present",NA,NA
+"56583","alpha-Naphthoflavone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Naphthoflavone",NA,"C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3","VFMMPHCGEFXGIP-UHFFFAOYSA-N",11790,NA,"PDBC56583","407011","Present",NA,NA
+"56584","alpha-Peltatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"peltatin a",NA,"COC1=CC(=CC(=C1O)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)O)COC3=O","JGGWNGRBXJWAOC-HKJPBSJPSA-N",92129,NA,"PDBC56584","24817","Present",NA,NA
+"56585","alpha-Peltatin-5-[4,6-O-(R)-ethylidene-beta-D-glucopyranoside]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Peltatin-5-[4,6-O-(R)-ethylidene- .beta.-D-gluco...",NA,"CC1OCC2C(O1)C(C(C(O2)OC3=C4CC5COC(=O)C5C(C4=CC6=C3OCO6)C7=CC(=C(C(=C7)OC)O)OC)O)O","VTQDHTGCEHYFFV-UNIOWBKFSA-N",355837,NA,"PDBC56585","610385","Present",NA,NA
+"56586","alpha-Phenyl-beta-(5-nitrofuryl)acrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Phenyl-.beta.-(5-nitrofuryl)acrylonitrile",NA,"C1=CC=C(C=C1)C(=CC2=CC=C(O2)[N+](=O)[O-])C#N","WQDXPOZUDGGDSD-FLIBITNWSA-N",12465488,NA,"PDBC56586","643140","Present",NA,NA
+"56587","alpha-Phenylcinnamic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Phenylcinnamic acid",NA,"C1=CC=C(C=C1)C=C(C2=CC=CC=C2)C(=O)O","BIDDLDNGQCUOJQ-SDNWHVSQSA-N",700620,NA,"PDBC56587","40614","Present",NA,NA
+"56588","alpha-Phosphono-beta-pyrrylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Phosphono-.beta.-pyrrylacrylonitrile",NA,"C1=CNC(=C1)C=C(C#N)P(=O)(O)O","ISQPOLJNSXGWEF-DAXSKMNVSA-N",50990815,NA,"PDBC56588","643154","Present",NA,NA
+"56589","alpha-Quaterthienyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alpha-Quaterthienyl",NA,"C1=CSC(=C1)C2=CC=C(S2)C3=CC=C(S3)C4=CC=CS4","FXEJOIFDICYSSO-UHFFFAOYSA-N",395493,NA,"PDBC56589","700135","Present",NA,NA
+"56590","alpha-Thenylidene-2,4-pentanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".alpha.-Thenylidene-2,4-pentanedione",NA,"CC(=O)CC(=O)C=CC1=CC=CS1","PVDMPXHHTNQTRX-SNAWJCMRSA-N",5897631,NA,"PDBC56590","643137","Present",NA,NA
+"56591","alpha-Tomatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tomatine",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(CO9)O)O)O)OC2C(C(C(C(O2)CO)O)O)O)O)O)C)C)C)NC1","REJLGAUYTKNVJM-UHFFFAOYSA-N",5513,NA,"PDBC56591","9223","Present",NA,NA
+"56592","amino[?]ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amino[?]ol",NA,"C1C(COC2=NC(=NC3=C2N1C=N3)N)O","QZMOZYLKJQQDRH-UHFFFAOYSA-N",367343,NA,"PDBC56592","636970","Present",NA,NA
+"56593","aminobenzolamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aminobenzolamide",NA,"C1=CC(=CC=C1N)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","BDLSLORLEPSOGW-UHFFFAOYSA-N",134560,NA,"PDBC56593","700707","Present",NA,NA
+"56594","aminobenzolamide 16a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aminobenzolamide 16a",NA,"CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NN=C(S2)S(=O)(=O)N","NQSAAPCTPUNSPD-UHFFFAOYSA-N",395815,NA,"PDBC56594","700706","Present",NA,NA
+"56595","amylphenol disulphide (polymer)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"amylphenol disulphide (polymer)",NA,NA,NA,NA,NA,"PDBC56595","661964","Present",NA,NA
+"56596","anhydrogossypol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"anhydrogossypol",NA,"CC1=CC2=C(C(=C(C3=COC(=C23)C1=C4C(=CC5=C(C(=O)C(=O)C6=COC4=C56)C(C)C)C)O)O)C(C)C","BFBKTZSYPFPSOC-DQRAZIAOSA-N",135527138,NA,"PDBC56596","89310","Present",NA,NA
+"56597","antineoplastic-615538",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-615538",NA,NA,NA,NA,NA,"PDBC56597","615538","Present",NA,NA
+"56598","antineoplastic-637578",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-637578",NA,"C1=CC=C2C(=C1)C=C(N=C2N=C(C3=CC=CC=N3)N)C4=CC=CC=N4","VZJMIYLTPATHJF-UHFFFAOYSA-N",463108,NA,"PDBC56598","637578","Present",NA,NA
+"56599","antineoplastic-639828",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-639828",NA,"C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)Cl)N","LRPFTPYFADHGQJ-UHFFFAOYSA-N",368696,NA,"PDBC56599","639828","Present",NA,NA
+"56600","antineoplastic-641296",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-641296",NA,NA,NA,NA,NA,"PDBC56600","641296","Present",NA,NA
+"56601","antineoplastic-641297",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-641297",NA,NA,NA,NA,NA,"PDBC56601","641297","Present",NA,NA
+"56602","antineoplastic-651079",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-651079",NA,"CCC(=O)OC1CCN2C1=NC3=C2C(=O)C(=C(C3=O)N4CC4)C","NPSQJYCWTMTMAH-UHFFFAOYSA-N",374005,NA,"PDBC56602","651079","Present",NA,NA
+"56603","antineoplastic-651080",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-651080",NA,"CC1=C(C(=O)C2=C(C1=O)N3CCC(C3=N2)OC(=O)CCl)N4CC4","PNJHXCRCPJOGIV-UHFFFAOYSA-N",374006,NA,"PDBC56603","651080","Present",NA,NA
+"56604","antineoplastic-651849",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-651849",NA,"CC(C(=O)NC(CCC(=O)OCCCNC1C2=CC=CC=C2NC3=C1C(=CC=C3)[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C","ZDPBIYQIWKMCQV-HIKCRJBTSA-N",374325,NA,"PDBC56604","651849","Present",NA,NA
+"56605","antineoplastic-d654830",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplastic-d654830",NA,"CCC(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CC(=C)C(=O)O)C(=O)O","WABHENAZLPSQIE-UHFFFAOYSA-N",375312,NA,"PDBC56605","654830","Present",NA,NA
+"56606","antineoplaston as 2-1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"antineoplaston as 2-1",NA,"C1=CC=C(C=C1)CC(=O)NC(CCC(=O)N)C(=O)O.C1=CC=C(C=C1)CC(=O)O","RUKFOASKJPYUMU-UHFFFAOYSA-N",359408,NA,"PDBC56606","620261","Present",NA,NA
+"56607","ap5p197",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ap5p197",NA,"CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N3CC4=CC=CC=C4CC3C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C5CCCN5C(=O)C(C)O)C)CC(C)C)C)C(C)C)O","PIASWAFHPBKZPP-ATFCUGFSSA-N",397427,NA,"PDBC56607","705262","Present",NA,NA
+"56608","aplasmomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"aplasmomycin",NA,NA,NA,NA,NA,"PDBC56608","291329","Present",NA,NA
+"56609","ara ac",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ara ac",NA,"C1=NC(=NC(=O)N1C2C(C(C(O2)CO)O)O)N","NMUSYJAQQFHJEW-UHFFFAOYSA-N",1805,NA,"PDBC56609","281272","Present",NA,NA
+"56610","au 154",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"au 154",NA,"C1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=C2NC=N3)N","QRUFUCSHMMQYIA-UHFFFAOYSA-N",3781442,NA,"PDBC56610","38309","Present",NA,NA
+"56611","azido(benzyl)[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azido(benzyl)[?]dione",NA,"C1CC2=C3C(=CC=C2)C(=O)C(C(=O)N3C1)(CC4=CC=CC=C4)N=[N+]=[N-]","AEPONWAIPDMTRB-UHFFFAOYSA-N",375225,NA,"PDBC56611","654618","Present",NA,NA
+"56612","azobis-n,n'-dimethyleneisobutyroamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azobis-n,n'-dimethyleneisobutyroamidine",NA,"CC(C)(C1=NCCN1)N=NC(C)(C)C2=NCCN2","LWMFAFLIWMPZSX-UHFFFAOYSA-N",88715,NA,"PDBC56612","668414","Present",NA,NA
+"56613","azotol o",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"azotol o",NA,"COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)Cl)OC","XDWATWCCUTYUDE-UHFFFAOYSA-N",66714,NA,"PDBC56613","50687","Present",NA,NA
+"56614","b 80568",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"b 80568",NA,NA,NA,NA,NA,"PDBC56614","75603","Present",NA,NA
+"56615","b-N-Galactopyranosylbenzocamalexin,7a-dihydro-indol-1-yl)-6-hydroxyme thyl-tetrahydro-pyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"alpha-N-mannopyranosylbenzocamalexin, 2-(3-Benzothiazol-...",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CN(C4C3C=CC=C4)C5C(C(C(C(O5)CO)O)O)O","AIKGFWMFSRLVFN-UHFFFAOYSA-N",24204283,NA,"PDBC56615","731175","Present",NA,NA
+"56616","b-N-Glucopyranosyl-6-methoxy-benzocamalexin,7a-dih ydro-indol-1-yl]-tetrahydro-pyran-3,4,5-triol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"b-N-glucopyranosyl-6-methoxy-benzocamalexin, 2-Hydroxyme...",NA,"COC1=CC2=C(C=C1)N=C(S2)C3=CN(C4C3C=CC=C4)C5C(C(C(C(O5)CO)O)O)O","KZJPNKVTKSKPAY-UHFFFAOYSA-N",24204590,NA,"PDBC56616","732275","Present",NA,NA
+"56617","b3-Hval-b3-hSer(a-D-GalNAc)-b3-hGlu-b3-hVal-b3-hOrn-b3-hOrn-b3-hVal",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"b3-hVal-b3-hSer(a-D-GalNAc)-b3-hGlu-b3-hVal-b3-hOrn-b3-h...",NA,"CC(C)C(CC(=O)NC(CC(=O)NC(CC(=O)NC(CC(=O)NC(CCCN)CC(=O)NC(CCCN)CC(=O)NC(CC(=O)N)C(C)C)C(C)C)CC(=O)O)COC1C(C(C(C(O1)CO)O)O)NC(=O)C)N","UVBNHPJGZNXOOT-YOWISXNPSA-N",45028380,NA,"PDBC56617","742382","Present",NA,NA
+"56618","b720389k237",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"b720389k237",NA,"CC(C)C(C(=O)N(C)C(C(C)C)C(=O)N1CCCC1C(=O)N2CCCC2C(=O)OC(C(C)C)C(=O)N3C(C(=CC3=O)OC)CC4=CC=CC=C4)NC(=O)C(C(C)C)N(C)C","LQKSHSFQQRCAFW-UHFFFAOYSA-N",357989,NA,"PDBC56618","617668","Present",NA,NA
+"56619","bafilomycin antibiotic",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bafilomycin antibiotic",NA,NA,NA,NA,NA,"PDBC56619","381867","Present",NA,NA
+"56620","bdea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bdea",NA,"CC1=CC(=NN1CCNCCN2C(=CC(=N2)C)C)C","AZQZJVVZBGCHSV-UHFFFAOYSA-N",361753,NA,"PDBC56620","625019","Present",NA,NA
+"56621","beauvericin (8ci, 9ci)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"beauvericin (8ci, 9ci)",NA,"CC(C)C1C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)O1)CC2=CC=CC=C2)C)C(C)C)CC3=CC=CC=C3)C)C(C)C)CC4=CC=CC=C4)C","GYSCAQFHASJXRS-UHFFFAOYSA-N",105014,NA,"PDBC56621","708472","Present",NA,NA
+"56622","benzaldehyde, 4-chloro-, 1-naphthalenylsemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzaldehyde, 4-chloro-, 1-naphthalenylsemicarbazone",NA,"C1=CC=C2C(=C1)C=CC=C2NC(=O)NN=CC3=CC=C(C=C3)Cl","ITJYHKKSTAXFNS-NDENLUEZSA-N",5923589,NA,"PDBC56622","680933","Present",NA,NA
+"56623","benzene-1,3,5-triyl tris(4-azidobenzenesulfonate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzene-1,3,5-triyl tris(4-azidobenzenesulfonate)",NA,"C1=CC(=CC=C1N=[N+]=[N-])S(=O)(=O)OC2=CC(=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)N=[N+]=[N-])OS(=O)(=O)C4=CC=C(C=C4)N=[N+]=[N-]","PTKYANZMPAIAMU-UHFFFAOYSA-N",365586,NA,"PDBC56623","633385","Present",NA,NA
+"56624","benzimidazol -thiosemicarbazone derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzimidazol -thiosemicarbazone derivative",NA,"CC(=NNC(=S)N)C1=NC2=C(N1)C=C(C=C2)Cl","HYDYLXXLOQIZEL-PJQLUOCWSA-N",136040128,NA,"PDBC56624","753139","Present",NA,NA
+"56625","benzoyl chloride-aluminum trichloride adduct",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzoyl chloride-aluminum trichloride adduct",NA,"C1CC(OC1)N2C=NC3=C2N=CN=C3I","RYQICVCDORWEBG-UHFFFAOYSA-N",239743,NA,"PDBC56625","45152","Present",NA,NA
+"56626","benzoyl(diphenyl)[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzoyl(diphenyl)[?]dione",NA,"C1CC2(C3C(C1(O2)C4=CC=CC=C4)C(=O)N(C3=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6","OXEKLCAFUFECLU-UHFFFAOYSA-N",379188,NA,"PDBC56626","663596","Present",NA,NA
+"56627","benzyl(methyl)[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzyl(methyl)[?]one",NA,"CC1=NC=C2C(=O)C3=C(C4=CC=CC=C4N3CC5=CC=CC=C5)OC2=N1","LLFSQXVLTAXIIX-UHFFFAOYSA-N",385571,NA,"PDBC56627","676861","Present",NA,NA
+"56628","benzyl[?]imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzyl[?]imine",NA,"C1=CC=C(C=C1)CN2C=NC3=C(C2=N)SC4=NC5=CC=CC=C5N34","JCANAWSYQGFXKK-UHFFFAOYSA-N",392245,NA,"PDBC56628","692381","Present",NA,NA
+"56629","benzyl[?]ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzyl[?]ol",NA,"C1=CC=C(C=C1)CC2=NC3=C(C(=O)N2)SC4=NC5=CC=CC=C5N34","RARFCZROECBQAX-UHFFFAOYSA-N",135465259,NA,"PDBC56629","687827","Present",NA,NA
+"56630","benzyloxy[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"benzyloxy[?]",NA,"C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC4=C5C6=CC=CC=C6NC5=CN=C34","IIPOBNNPOSRPLC-UHFFFAOYSA-N",363117,NA,"PDBC56630","627685","Present",NA,NA
+"56631","beta,beta'-Methylenedithiodialanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"djenkolate",NA,"C(C(C(=O)O)N)SCSCC(C(=O)O)N","JMQMNWIBUCGUDO-UHFFFAOYSA-N",253305,NA,"PDBC56631","76076","Present",NA,NA
+"56632","beta-(1-Naphthyl)-alpha-benzoylacrylonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-(1-Naphthyl)-.alpha.-benzoylacrylonitrile",NA,"C1=CC=C(C=C1)C(=O)C(=CC2=CC=CC3=CC=CC=C32)C#N","CUHDXUGRLHCEBO-AQTBWJFISA-N",21142149,NA,"PDBC56632","643187","Present",NA,NA
+"56633","beta-(2-Aminophenyl)-3'-(trifluoromethyl)propiolophenone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-(2-Aminophenyl)-1-[3-(trifluoromethyl)phenyl]prop-2-yn-1-one",NA,"C1=CC=C(C(=C1)C#CC(=O)C2=CC(=CC=C2)C(F)(F)F)N","FPMQUVBYTGQFPJ-UHFFFAOYSA-N",403529,NA,"PDBC56633","718545","Present",NA,NA
+"56634","beta-(5-Hydroxy-2-pyridyl)alanine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Aza-DL-tyrosine",NA,"C1=CC(=NC=C1O)CC(C(=O)O)N","YOZSEGPJAXTSFZ-UHFFFAOYSA-N",122047,NA,"PDBC56634","676454","Present",NA,NA
+"56635","beta-7-Butyl-Swainsonine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-7-Butyl-Swainsonine",NA,"CCCCC1CCN2CC(C(C2C1O)O)O","XVUPRKGVSFXXQZ-VSSNEEPJSA-N",389719,NA,"PDBC56635","686311","Present",NA,NA
+"56636","beta-Alanyl-L-histidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ignotine",NA,"C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN","CQOVPNPJLQNMDC-UHFFFAOYSA-N",9369,NA,"PDBC56636","524045","Present",NA,NA
+"56637","beta-Amanitin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Amanitin",NA,"CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)O)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)O","IEQCUEXVAPAFMQ-UHFFFAOYSA-N",2276,NA,"PDBC56637","627727","Present",NA,NA
+"56638","beta-COLUBRINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"COLUBRINE, BETA",NA,"COC1=CC2=C(C=C1)N3C4C25CCN6C5CC7C4C(CC3=O)OCC=C7C6","ZTHVHELPCLGXHF-JPPAUQSISA-N",251890,NA,"PDBC56638","72862","Present",NA,NA
+"56639","beta-Carotene, all-trans-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Beta-Carotene",NA,"CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(CCCC2(C)C)C)C)C","OENHQHLEOONYIE-QGWNBGMGSA-N",54603957,NA,"PDBC56639","62794","Present",NA,NA
+"56640","beta-Cyclohexanoblastine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Cyclohexanoblastine",NA,"CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)C6(CC7CN(CCC8=C6NC9=CC=CC=C89)CC1C7CCCC1)C(=O)OC)OC)C.COS(=O)(=O)O","QOTVOWMCBCDJIY-ZHGINRBASA-N",11970034,NA,"PDBC56640","655617","Present",NA,NA
+"56641","beta-D-Glucopyranoside, 2-(hydroxymethyl)phenyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"salicin",NA,"C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O","NGFMICBWJRZIBI-UHFFFAOYSA-N",5145,NA,"PDBC56641","5751","Present",NA,NA
+"56642","beta-D-Glucopyranosylamine,N'-(iminodi-2,1-ethanediyl)bis-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-D-Glucopyranosylamine, N,N'-(iminodi-2,1-ethanedi...///NSC706966///NSC707409",NA,"C(CNC1C(C(C(C(O1)CO)O)O)O)NCCNC2C(C(C(C(O2)CO)O)O)O.Cl","HHKRMEOZZYIERG-UHFFFAOYSA-N",397918,NA,"PDBC56642","706965///706966///707409","Present",NA,NA
+"56643","beta-D-Ribofuranosylamine, N-(8-methoxypyrimido[5,4-d]pyrimidin-4-yl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-D-Ribofuranosylamine, N-(8-methoxypyrimido[5,4-d]...",NA,"COC1=NC=NC2=C1N=CN=C2NC3C(C(C(O3)CO)O)O","GJKFEQPZRZBOJH-UHFFFAOYSA-N",359612,NA,"PDBC56643","620635","Present",NA,NA
+"56644","beta-Ethyl-4-methoxy-beta-nitrostyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"A807993",NA,"CCC(=CC1=CC=C(C=C1)OC)[N+](=O)[O-]","RAKQDPNZDWUGOD-NTMALXAHSA-N",49791585,NA,"PDBC56644","14008","Present",NA,NA
+"56645","beta-Miroside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"beta-Miroside",NA,"C1C=C(C(=O)O1)COC2C(C(C(C(O2)CO)O)O)O","GSLHWELOFRNCTI-UHFFFAOYSA-N",389209,NA,"PDBC56645","684912","Present",NA,NA
+"56646","beta-N-Ribofuranosylbenzocamalexin,7a-dihydro-indol-1-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"beta-N-ribofuranosylbenzocamalexin, 2-(3-Benzothiazol-2-...",NA,"C1=CC=C2C(=C1)N=C(S2)C3=CN(C4C3C=CC=C4)C5C(C(C(O5)CO)O)O","BLKXLIRWXMOUGQ-UHFFFAOYSA-N",24204284,NA,"PDBC56646","731178","Present",NA,NA
+"56647","beta-Peltatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC24819///NSC35471",NA,"COC1=CC(=CC(=C1OC)OC)C2C3C(CC4=C(C5=C(C=C24)OCO5)O)COC3=O","HLBPOYVRLSXWJJ-PDSMFRHLSA-N",92122,NA,"PDBC56647","24819///35471","Present",NA,NA
+"56648","beta-Phenylalanine, 6,12b-diacetoxy-12-(benzoyloxy)-2a,3,3a,4,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Phenylalanine, N-benzoyl-2-[[(2-carboxyethyl) car...",NA,"CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)OC(=O)CCC(=O)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)OC(=O)C.[Na+]","LEGMHFWVKDZLGP-CDPHTNRPSA-N",54608019,NA,"PDBC56648","600221","Present",NA,NA
+"56649","beta-Resorcylaldehyde,4-phthalazinediyldihydrazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Resorcylaldehyde, 1,4-phthalazinediyldihydrazone",NA,"C1=CC=C2C(=C1)C(=NN=C2NN=CC3=C(C=C(C=C3)O)O)NN=CC4=C(C=C(C=C4)O)O","KHMFQNBWCPWXQN-ASIDMNOUSA-N",135509574,NA,"PDBC56649","103837","Present",NA,NA
+"56650","beta-Rhodomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".beta.-Rhodomycin",NA,"CCC1CC(C2=C(C1O)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O.CC1C(CCC(O1)O)O.CC1C(C(CC(O1)O)N(C)C)O","KXFLRDGRXPJAFE-UHFFFAOYSA-N",418587,NA,"PDBC56650","102813","Present",NA,NA
+"56651","beta-Scillarenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"scillarenin",NA,"CC12CCC(C=C1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O","OVUOVMIMOCJILI-GDWHAHJOSA-N",314799,NA,"PDBC56651","234669","Present",NA,NA
+"56652","beta-Sitosterol 3-O-beta-D-galactopyranoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bssg",NA,"CCC(CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC5C(C(C(C(O5)CO)O)O)O)C)C)C(C)C","NPJICTMALKLTFW-UHFFFAOYSA-N",296119,NA,"PDBC56652","165962","Present",NA,NA
+"56653","bis(2,4-dichlorophenyl)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(2,4-dichlorophenyl)[?]",NA,"C1=CC=C2C(=C1)N3C(=NN=C3C4=NN=C(N24)C5=C(C=C(C=C5)Cl)Cl)C6=C(C=C(C=C6)Cl)Cl","HUZVVPZXARPKCM-UHFFFAOYSA-N",370489,NA,"PDBC56653","643711","Present",NA,NA
+"56654","bis(2-tert-butylphenyl)[?]trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis(2-tert-butylphenyl)[?]trione",NA,"CC(C)(C)C1=CC=CC=C1N2C3=CC=C4C5=C(C=CC(=C35)C2=O)C(=O)N(C4=O)C6=CC=CC=C6C(C)(C)C","NCICBBPVHVNRCC-UHFFFAOYSA-N",392636,NA,"PDBC56654","693216","Present",NA,NA
+"56655","bis-p-tolyl[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bis-p-tolyl[?]",NA,"CC1=CC=C(C=C1)C2=C3C4CCC(C4)C3=C(S2)C5=CC=C(C=C5)C","VUYJQNGDBIDWOQ-UHFFFAOYSA-N",381277,NA,"PDBC56655","667713","Present",NA,NA
+"56656","bluensomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bluensomycin",NA,"CC1C(C(C(O1)OC2C(C(C(C(C2O)O)O)O)O)OC3C(C(C(C(O3)CO)O)O)NC)(CO)O.C(=N)(N)N.C(=O)(N)O.OS(=O)(=O)O","WTQVKIMUXFERGB-UHFFFAOYSA-N",270021,NA,"PDBC56656","111930","Present",NA,NA
+"56657","bromo(hydroxy)[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"bromo(hydroxy)[?]one",NA,"C1CC2=NC3=C(C4=C(S3)C(=C(C=C4)Br)O)C(=O)N2C1","PCJYQCZDTDWCQW-UHFFFAOYSA-N",374194,NA,"PDBC56657","651670","Present",NA,NA
+"56658","butyl orange",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"butyl orange",NA,"CCCCN(CCCC)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)S(=O)(=O)O","DANYDKIZJCAJNC-UHFFFAOYSA-N",97033,NA,"PDBC56658","97368","Present",NA,NA
+"56659","butyl-hydroxy-diisopropoxy-[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"butyl-hydroxy-diisopropoxy-[?]one",NA,"CCCCC1C=CN2C3=C1C(=C(C(=C3OC2=O)OC(C)C)OC(C)C)O","DFSOQNGAKCUVML-UHFFFAOYSA-N",394549,NA,"PDBC56659","698094","Present",NA,NA
+"56660","c.i. 37541",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"c.i. 37541",NA,"CC1=CC(=C(C=C1Cl)OC)NC(=O)C2=CC3=CC=CC=C3C=C2O","COXPEQKIFMVQIO-UHFFFAOYSA-N",78844,NA,"PDBC56660","50689","Present",NA,NA
+"56661","calactin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"calactin",NA,"CC1CC(C2(C(O1)OC3CC4CCC5C(C4(CC3O2)C=O)CCC6(C5(CCC6C7=CC(=O)OC7)O)C)O)O","OWPWFVVPBYFKBG-AMJZKRQHSA-N",373676,NA,"PDBC56661","650471","Present",NA,NA
+"56662","calcon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"calcon",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C4=CC=CC=C43)S(=O)(=O)O)O)O.[Na+]","ZQWICJYATMSSSD-UHFFFAOYSA-N",135422056,NA,"PDBC56662","47714","Present",NA,NA
+"56663","callyspongiolide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"callyspongiolide",NA,"CC1CC=CC(=O)OC(C(C=CC(CC(C1)OC(=O)N)C)C)C=CC#CC=CC(C)(C)C(C2=C(C(=CC=C2)O)Br)O","FNDISSRVLCJOOY-HHMBUIEWSA-N",132184548,NA,"PDBC56663","801656","Present",NA,NA
+"56664","canadaline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"canadaline",NA,"CN1CCC2=CC3=C(C=C2C1CC4=C(C(=C(C=C4)OC)OC)C=O)OCO3","ROAHDZJDHGLGBA-UHFFFAOYSA-N",321459,NA,"PDBC56664","272358","Present",NA,NA
+"56665","carubicin (usan)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"carubicin (usan)",NA,NA,NA,NA,NA,"PDBC56665","305264","Present",NA,NA
+"56666","carzinostatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"carzinostatin",NA,NA,NA,NA,NA,"PDBC56666","157365","Present",NA,NA
+"56667","celsioside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"celsioside",NA,NA,NA,NA,NA,"PDBC56667","162675","Present",NA,NA
+"56668","chloro(diphenyl)[?]dione; triphenylphosphane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chloro(diphenyl)[?]dione; triphenylphosphane",NA,NA,NA,NA,NA,"PDBC56668","630735","Present",NA,NA
+"56669","chloro[?] dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chloro[?] dioxide",NA,"C1CC2=C3C(=CC(=C2)Cl)S(=O)(=O)C4=CC=CC=C4N3C1","XUOZHPAZBKXBSI-UHFFFAOYSA-N",380118,NA,"PDBC56669","665520","Present",NA,NA
+"56670","cholera toxin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cholera toxin",NA,NA,NA,NA,NA,"PDBC56670","629801","Present",NA,NA
+"56671","chromium, chloropentaamine-, dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"chromium, chloropentaamine-, dichloride",NA,NA,NA,NA,NA,"PDBC56671","56200","Present",NA,NA
+"56672","cis,trans-5'-Hydroxythalidomide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cps3",NA,"C1C(C(=O)NC(=O)C1O)N2C(=O)C3=CC=CC=C3C2=O","HHTOWVWIVBSOKC-UHFFFAOYSA-N",9878646,NA,"PDBC56672","726792","Present",NA,NA
+"56673","cis-(1,O2)Bis(1-phenyl-butane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-(1,2-Dihydroxy-3-methoxybenzolato-O1,O2)bis(1-phenyl...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.COC1=CC=CC(=C1[O-])[O-].[Ti+4]","LFHLKMKYEQRHFP-UHFFFAOYSA-L",11979328,NA,"PDBC56673","637218","Present",NA,NA
+"56674","cis-(Anthrachinone-2-hydroxy-1-olato)ethoxybis (1-phenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-(Anthrachinone-2-hydroxy-1-olato)ethoxybis (1-phenyl...",NA,"CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)O)[O-].[Ti+4]","AZAPYJSMAQBIME-UHFFFAOYSA-M",11979333,NA,"PDBC56674","638735","Present",NA,NA
+"56675","cis-(Diaminoazacycloheptane-2,2-diphosphonatoplatinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-(Diaminoazacycloheptane-2,2-diphosphonatoplatinum(II)",NA,"C1CCC(NCC1)(P(=O)([O-])[O-])P(=O)([O-])[O-].N.N.[Pt+2]","OZTOCHCOHYIBRF-UHFFFAOYSA-J",24202204,NA,"PDBC56675","632615","Present",NA,NA
+"56676","cis--6-(3-Chloropropyl)-5,12,13-tetrahydro-2,3-dimethoxy-9,10-methylenedioxy-3-nitro-5,11-dioxo-11H-indeno[1,2-c]isoqu inoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis--6-(3-Chloropropyl)-5,6,12,13-tetrahydro-2,3-dimetho...",NA,"C1OC2=C(O1)C=C3C(=C2)C4C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCCl","KOLCHVKMORPDSP-QZTJIDSGSA-N",44346852,NA,"PDBC56676","729359","Present",NA,NA
+"56677","cis-2,6,12,13-Pentahydro-6-methyl-(8,9-methylenedioxy)-3-n itro-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-2,5,6,12,13-Pentahydro-6-methyl-(8,9-methylenedioxy)...",NA,"CN1C2C(C3=C(C1=O)C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC5=C(C=C24)OCO5.C(Cl)(Cl)Cl","ZCHZWUHMHXXJPB-QNBGGDODSA-N",45027874,NA,"PDBC56677","730009","Present",NA,NA
+"56678","cis-2,6-Diphenyltetrahydropyrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cis-2,6-Diphenyltetrahydropyrone",NA,"C1C(OC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3","CNCKPUJDRCRAJV-CALCHBBNSA-N",388786,NA,"PDBC56678","683871","Present",NA,NA
+"56679","cis-2-Methyl-3-quinuclidyl benzilate hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC665683",NA,"CC1C(C2CCN1CC2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl","VLQJMXTYEGGKEY-UHFFFAOYSA-N",380208,NA,"PDBC56679","665683","Present",NA,NA
+"56680","cis-3-O-p-Hydroxycinnamoyl ursolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-3-O-p-hydroxycinnamoyl ursolic acid",NA,"CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)OC(=O)C=CC6=CC=C(C=C6)O)C)C)C2C1C)C)C(=O)O","ZOXDAGKKDOEJBW-HNPRZPGGSA-N",24203732,NA,"PDBC56680","729211","Present",NA,NA
+"56681","cis-4-(3-(2-Chloroethyl)-3-nitrosoureido)cyclohexaneacetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC175377///NSC204816",NA,"C1CC(CCC1CC(=O)O)NC(=O)N(CCCl)N=O","RGSCZHWAYJQOJX-UHFFFAOYSA-N",98897,NA,"PDBC56681","175377///204816","Present",NA,NA
+"56682","cis-6-(2-Dimethylamino-1-ethyl)-5,12,13-tetrahydro-2,3-dim ethoxy-8,9-(methylenedioxy)-5,11-dioxo-11H-indeno-[1,2-c]iso quinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cis-6-(2-dimethylamino-1-ethyl)-5,6,12,13-tetrahydro-2,3...",NA,"CN(C)CCN1C2C(C3=CC(=C(C=C3C1=O)OC)OC)C(=O)C4=CC5=C(C=C24)OCO5","LBMSKFHTLSHNPT-SFTDATJTSA-N",45027831,NA,"PDBC56682","726770","Present",NA,NA
+"56683","cis-6-(3-Bromopropyl)-12,9,10-trimethoxy-3-nitr o-5,11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-6-(3-Bromopropyl)-12,13-dihydro-8,9,10-trimethoxy-3-...",NA,"COC1=C(C(=C2C(=C1)C3C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC)OC","CIEWUCHYUNPKCX-SJLPKXTDSA-N",16098814,NA,"PDBC56683","733502","Present",NA,NA
+"56684","cis-6-(3-Bromopropyl)-12,9-dimethoxy-3-nitro-5, 11-dioxo-11H-indeno[1,2-c]isoquinoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-6-(3-Bromopropyl)-12,13-dihydro-8,9-dimethoxy-3-nitr...",NA,"COC1=C(C=C2C(=C1)C3C(C2=O)C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)N3CCCBr)OC","NOFPBGDZYDLRCL-RTBURBONSA-N",16098831,NA,"PDBC56684","733503","Present",NA,NA
+"56685","cis-6-(3-Bromopropyl)-5,12,13-tetrahydro-2,3-dimethoxy-9,1 0-methylenedioxy-3-nitro-5,11-dioxo-11H-indeno{1,2-c]isoquin oline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-6-(3-Bromopropyl)-5,6,12,13-tetrahydro-2,3-dimethoxy...",NA,"C1OC2=C(O1)C=C3C(=C2)C4C(C3=O)C5=C(C=C(C=C5)[N+](=O)[O-])C(=O)N4CCCBr","CSQJIIYGYVBEJH-QZTJIDSGSA-N",10095710,NA,"PDBC56685","727625","Present",NA,NA
+"56686","cis-7,8-Dioxaspirodecan-2-one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cis-7,9-diphenyl-3-methylene-1,8-dioxaspirodecan-2-one",NA,"C=C1CC2(CC(OC(C2)C3=CC=CC=C3)C4=CC=CC=C4)OC1=O","KYNODWLDEFWGRT-PMSBKCLSSA-N",357605,NA,"PDBC56686","617128","Present",NA,NA
+"56687","cis-Aconitic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"citridic acid",NA,"C(C(=CC(=O)O)C(=O)O)C(=O)O","GTZCVFVGUGFEME-IWQZZHSRSA-N",643757,NA,"PDBC56687","7616","Present",NA,NA
+"56688","cis-Amminedichloro(4-methoxyphenethylamine)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Amminedichloro(4-methoxyphenethylamine)platinum(II)",NA,NA,NA,NA,NA,"PDBC56688","631306","Present",NA,NA
+"56689","cis-Amminedichloro[2-(3,4-dimethoxyphenyl)ethylamine] pl...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Amminedichloro[2-(3,4-dimethoxyphenyl)ethylamine] pl...",NA,NA,NA,NA,NA,"PDBC56689","631304","Present",NA,NA
+"56690","cis-Benzoatochlorobis(1-phenylbutane-1,3-dionato)titaniu...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Benzoatochlorobis(1-phenylbutane-1,3-dionato)titaniu...",NA,NA,NA,NA,NA,"PDBC56690","638375","Present",NA,NA
+"56691","cis-Bis(1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Bis(1,4-dihydroxybenzolato-O1)bis(1-phenylbutane-1,3...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC(=CC=C1O)[O-].C1=CC(=CC=C1O)[O-].[Ti+4]","IQXNQCWRFTUXFM-UHFFFAOYSA-L",11979329,NA,"PDBC56691","637219","Present",NA,NA
+"56692","cis-Bis(1-carboxy-4-hydroxybenzolato)bis(1-phenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Bis(1-carboxy-4-hydroxybenzolato)bis(1-phenylbutane-...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC(=CC=C1C(=O)[O-])[O-].C1=CC(=CC=C1C(=O)[O-])[O-].[Ti+4]","QHUDMIIRDVBHFF-UHFFFAOYSA-J",24202318,NA,"PDBC56692","638378","Present",NA,NA
+"56693","cis-Bis(1-phenylbutane-1,3-dionato)bispyridiniumhydro chloride-2-olato)titanium(IV)-dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Bis(1-phenylbutane-1,3-dionato)bispyridiniumhydro ch...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=NC(=C1)[O-].C1=CC=NC(=C1)[O-].Cl.[Ti+4]","IPXSMMNOIOZRKX-UHFFFAOYSA-L",24202298,NA,"PDBC56693","637814","Present",NA,NA
+"56694","cis-Bis(2-ethoxyethanolato)bis(1-phenylbutane-1,3-dionato) titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Bis(2-ethoxyethanolato)bis(1-phenylbutane-1,3-dionat...",NA,"CCOCC[O-].CCOCC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.[Ti+4]","XDNYTJKRGSQLET-UHFFFAOYSA-N",367797,NA,"PDBC56694","637812","Present",NA,NA
+"56695","cis-Bis(2-hydroxyacetato-O1-)bis(1-phenylbutane-1,3-dionato) titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Bis(2-hydroxyacetato-O1-)bis(1-phenylbutane-1,3-dion...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C(C(=O)[O-])[O-].C(C(=O)[O-])[O-].[Ti+4]","VGEMIIYIQFRKAI-UHFFFAOYSA-L",367798,NA,"PDBC56695","637813","Present",NA,NA
+"56696","cis-Bis(N,3-dionato)hafnium(IV)-dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Bis(N,N-diethyl-2-aminoethanolato)bis(1-phenylbutane...",NA,"CCN(CC)CC[O-].CCN(CC)CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Hf+4]","HQWPUZRSXRLHNZ-UHFFFAOYSA-N",368053,NA,"PDBC56696","638377","Present",NA,NA
+"56697","cis-Bis(N,3-dionato)titanium(IV)-dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Bis(N,N-diethyl-2-aminoethanolatohydrochloride)bis(1...",NA,"CCN(CC)CC[O-].CCN(CC)CC[O-].CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.Cl.[Ti+4]","KETSPZPKHRDELA-UHFFFAOYSA-N",24202297,NA,"PDBC56697","637811","Present",NA,NA
+"56698","cis-Bis(chinoliniumhydrochloride-4-olato)bis(1-phenylbut...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Bis(chinoliniumhydrochloride-4-olato)bis(1-phenylbut...",NA,"CC(=O)[CH-]C(=O)C1=CC=CC=C1.CC(=O)[CH-]C(=O)C1=CC=CC=C1.C1=CC=C2C(=C1)C(=CC=N2)[O-].C1=CC=C2C(=C1)C(=CC=N2)[O-].Cl.[Ti+4]","XWAMZIUXKJBDCL-UHFFFAOYSA-L",11979331,NA,"PDBC56698","638368","Present",NA,NA
+"56699","cis-Bis-2,2'-bipyridinedithiocyanatoosmium(II)dihydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Bis-2,2'-bipyridinedithiocyanatoosmium(II)dihydrate",NA,NA,NA,NA,NA,"PDBC56699","632557","Present",NA,NA
+"56700","cis-Cccnu",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-acid///cyclohexanecarboxylic acid, 4-[[[(2-chloroethyl)nitrosoa...",NA,"C1CC(CCC1C(=O)O)NC(=O)N(CCCl)N=O","VGKZBAMIYUHSMU-UHFFFAOYSA-N",93238,NA,"PDBC56700","153174///153175","Present",NA,NA
+"56701","cis-Chloro(1,2-cyclohexanedicarboxylato(1-),O1)bis-(1-ph...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Chloro(1,2-cyclohexanedicarboxylato(1-),O1)bis-(1-ph...",NA,NA,NA,NA,NA,"PDBC56701","637210","Present",NA,NA
+"56702","cis-Chloro(heptoxy)bis(1-phenylbutane-1,3-dionato)titani...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Chloro(heptoxy)bis(1-phenylbutane-1,3-dionato)titani...",NA,NA,NA,NA,NA,"PDBC56702","632881","Present",NA,NA
+"56703","cis-Chloro[1,3,5-benzoletricarboxylato(1-)-O-]bis(1-phen...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Chloro[1,3,5-benzoletricarboxylato(1-)-O-]bis(1-phen...",NA,NA,NA,NA,NA,"PDBC56703","638371","Present",NA,NA
+"56704","cis-Chlorprothixene hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-2-Chloro-9-(3-(dimethylamino)propylidene)thioxanth...///CHLORPROTHIXENE HYDROCHLORIDE",NA,"CN(C)CCC=C1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.Cl","YWKRLOSRDGPEJR-FJUODKGNSA-N",5702223,NA,"PDBC56704","56378///758399","Present",NA,NA
+"56705","cis-Cyclohexane-1,2-(diaminopropanetetrakis-methylphosphonato)-(2-)-N1,N2]platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Cyclohexane-1,2-diamine[1,2-(diaminopropanetetrakis-...",NA,"CC(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].C1CCC(C(C1)N)N.[Pt+2]","DLPHPHMBVHOAFB-GCTAOFAESA-F",24202407,NA,"PDBC56705","647060","Present",NA,NA
+"56706","cis-Cyclohexane-1,2-diamine-dimorpholinoplatinum(II)-chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Cyclohexane-1,2-diamine-dimorpholinoplatinum(II)- ch...",NA,"C1CCC(C(C1)N)N.C1COCCN1.C1COCCN1.[Cl-].[Pt+2]","KFYPAMGUZVHPBJ-UHFFFAOYSA-M",24202187,NA,"PDBC56706","631897","Present",NA,NA
+"56707","cis-Cyclohexane-1,2-diamine[nitrilotris(methylphosphonat...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Cyclohexane-1,2-diamine[nitrilotris(methylphosphonat...",NA,"C1CCC(C(C1)N)N.C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[Pt+2]","MXESVCDEMBGIHK-RUTFAPCESA-H",24202201,NA,"PDBC56707","632612","Present",NA,NA
+"56708","cis-Diaminedichloroplatinum",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Diaminedichloroplatinum",NA,"[NH2-].[NH2-].Cl[Pt+2]Cl","DQLATGHUWYMOKM-UHFFFAOYSA-L",2767,NA,"PDBC56708","131558","Present",NA,NA
+"56709","cis-Diammine[3-dimethylamino-1-aminopropane-1,N1]platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Diammine[3-dimethylamino-1-aminopropane-1,1-diphosph...",NA,"CN(C)CCC(N)(P(=O)([O-])[O-])P(=O)([O-])[O-].N.N.[Pt+2]","VMNFDUYMMZHVRS-UHFFFAOYSA-J",24202337,NA,"PDBC56709","639614","Present",NA,NA
+"56710","cis-Diammine[N,N',N'-tetrakis(phosphonatomethyl)ethylen-diamine(2-)-N1,N2]platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Diammine[N,N,N',N'-tetrakis(phosphonatomethyl)ethyle...",NA,"C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].N.N.[Pt+2]","WEKAIOJVELOHJL-UHFFFAOYSA-F",24202336,NA,"PDBC56710","639594","Present",NA,NA
+"56711","cis-Diamminebis[(3beta)-cholest-5-en-3-ol-2,2,3-propane-tricarboxylato]platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Diamminebis[(3.beta.)-cholest-5-en-3-ol-2,3-dihydrog...",NA,"CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CC(CC(=O)[O-])C(=O)[O-])C)C.N.N.[Pt+4]","DXMZLTNOSDBFAN-ZTVBJNOCSA-L",24202248,NA,"PDBC56711","634048","Present",NA,NA
+"56712","cis-Diamminedimorpholinoplatinum(II)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Diamminedimorpholinoplatinum(II)chloride",NA,"C1COCCN1.C1COCCN1.N.N.[Cl-].[Pt+2]","GTUVPULBYNQDRU-UHFFFAOYSA-M",24202186,NA,"PDBC56712","631896","Present",NA,NA
+"56713","cis-Diamminemalonatoplatinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"malonatodiammineplatinum(ii)",NA,"C(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]","DQVUZTMWSYWINI-UHFFFAOYSA-N",422683,NA,"PDBC56713","146067","Present",NA,NA
+"56714","cis-Dibromobis(1,3-diphenylpropane-1,3-dionato)tin(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dibromobis(1,3-diphenylpropane-1,3-dionato)tin(IV)",NA,NA,NA,NA,NA,"PDBC56714","632576","Present",NA,NA
+"56715","cis-Dibromobis(1-ethylimidazole)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dibromobis(1-ethylimidazole)platinum(II)",NA,NA,NA,NA,NA,"PDBC56715","647616","Present",NA,NA
+"56716","cis-Dibromobis(1-phenyl-1,3-butanedionato)tin(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dibromobis(1-phenyl-1,3-butanedionato)tin(IV)",NA,NA,NA,NA,NA,"PDBC56716","632575","Present",NA,NA
+"56717","cis-Dibromobis(1-phenyl-1,3-butanedionato)tungsten(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dibromobis(1-phenyl-1,3-butanedionato)tungsten(IV)",NA,NA,NA,NA,NA,"PDBC56717","632585","Present",NA,NA
+"56718","cis-Dibromobis(1-propylimidazole)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dibromobis(1-propylimidazole)platinum(II)",NA,NA,NA,NA,NA,"PDBC56718","647618","Present",NA,NA
+"56719","cis-Dichloro(pentane-2,4-dioxime-N1,N2)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichloro(pentane-2,4-dioxime-N1,N2)platinum(II)",NA,NA,NA,NA,NA,"PDBC56719","639083","Present",NA,NA
+"56720","cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato) zirconi...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato) zirconi...",NA,NA,NA,NA,NA,"PDBC56720","635898","Present",NA,NA
+"56721","cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)- molybd...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)- molybd...",NA,NA,NA,NA,NA,"PDBC56721","634049","Present",NA,NA
+"56722","cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)hafnium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)hafnium(IV)",NA,NA,NA,NA,NA,"PDBC56722","635894","Present",NA,NA
+"56723","cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)tin(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(1,3-diphenylpropane-1,3-dionato)tin(IV)",NA,NA,NA,NA,NA,"PDBC56723","632574","Present",NA,NA
+"56724","cis-Dichlorobis(1,4-diphenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(1,4-diphenylbutane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC56724","636483","Present",NA,NA
+"56725","cis-Dichlorobis(1-ethylimidazole)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(1-ethylimidazole)platinum(II)",NA,NA,NA,NA,NA,"PDBC56725","647617","Present",NA,NA
+"56726","cis-Dichlorobis(1-phenyl-1,3-butanedionato)tungsten(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(1-phenyl-1,3-butanedionato)tungsten(IV)",NA,NA,NA,NA,NA,"PDBC56726","632584","Present",NA,NA
+"56727","cis-Dichlorobis(2,2,6,6-tetramethyl-3,5-heptandionato)- ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(2,2,6,6-tetramethyl-3,5-heptandionato)- ...",NA,NA,NA,NA,NA,"PDBC56727","632815","Present",NA,NA
+"56728","cis-Dichlorobis(2,4-pentandionato)osmium(VI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(2,4-pentandionato)osmium(VI)",NA,NA,NA,NA,NA,"PDBC56728","632559","Present",NA,NA
+"56729","cis-Dichlorobis(2,4-pentanedionato)germanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(2,4-pentanedionato)germanium(IV)",NA,NA,NA,NA,NA,"PDBC56729","632587","Present",NA,NA
+"56730","cis-Dichlorobis(2,4-pentanedionato)molybdenum(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(2,4-pentanedionato)molybdenum(IV)",NA,NA,NA,NA,NA,"PDBC56730","632586","Present",NA,NA
+"56731","cis-Dichlorobis(4-amino-1-benzoic acid)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(4-amino-1-benzoic acid)platinum(II)",NA,NA,NA,NA,NA,"PDBC56731","632870","Present",NA,NA
+"56732","cis-Dichlorobis(4-aminobenzolesulfonic acid)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(4-aminobenzolesulfonic acid)platinum(II)",NA,NA,NA,NA,NA,"PDBC56732","632869","Present",NA,NA
+"56733","cis-Dichlorobis(4-aminocinnamic acid)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(4-aminocinnamic acid)platinum(II)",NA,NA,NA,NA,NA,"PDBC56733","632871","Present",NA,NA
+"56734","cis-Dichlorobis(4-methoxyphenethylamine)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(4-methoxyphenethylamine)platinum(II)",NA,NA,NA,NA,NA,"PDBC56734","631305","Present",NA,NA
+"56735","cis-Dichlorobis(5,5-dimethyl-2,4-hexanedionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(5,5-dimethyl-2,4-hexanedionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC56735","647058","Present",NA,NA
+"56736","cis-Dichlorobis(5-amino-2-hydroxybenzoic acid)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis(5-amino-2-hydroxybenzoic acid)platinum(II)",NA,NA,NA,NA,NA,"PDBC56736","638370","Present",NA,NA
+"56737","cis-Dichlorobis-(1-propylimidazole)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis-(1-propylimidazole)platinum(II)",NA,NA,NA,NA,NA,"PDBC56737","647619","Present",NA,NA
+"56738","cis-Dichlorobis-[1(2-hydroxyphenyl)-3-phenylpropane-1,3-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis-[1(2-hydroxyphenyl)-3-phenylpropane-1,3-...",NA,NA,NA,NA,NA,"PDBC56738","637215","Present",NA,NA
+"56739","cis-Dichlorobis[1,3-di(4-methoxyphenyl)propane-1,3-diona...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1,3-di(4-methoxyphenyl)propane-1,3-diona...",NA,NA,NA,NA,NA,"PDBC56739","637214","Present",NA,NA
+"56740","cis-Dichlorobis[1-(2-hydroxyphenyl)-3-phenyl- 1,3-propan...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(2-hydroxyphenyl)-3-phenyl- 1,3-propan...",NA,NA,NA,NA,NA,"PDBC56740","632802","Present",NA,NA
+"56741","cis-Dichlorobis[1-(2-thienyl)butane-1,3-dionato]titanium...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(2-thienyl)butane-1,3-dionato]titanium...",NA,NA,NA,NA,NA,"PDBC56741","636481","Present",NA,NA
+"56742","cis-Dichlorobis[1-(3-indolyl)butane-1,3-dionato]titanium...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(3-indolyl)butane-1,3-dionato]titanium...",NA,NA,NA,NA,NA,"PDBC56742","637212","Present",NA,NA
+"56743","cis-Dichlorobis[1-(3-nitrophenyl)butane-1,3-dionato] tit...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(3-nitrophenyl)butane-1,3-dionato] tit...",NA,NA,NA,NA,NA,"PDBC56743","636479","Present",NA,NA
+"56744","cis-Dichlorobis[1-(3-pyridyliumhydrochloride)3-phenylpro...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(3-pyridyliumhydrochloride)3-phenylpro...",NA,NA,NA,NA,NA,"PDBC56744","637816","Present",NA,NA
+"56745","cis-Dichlorobis[1-(4-bromophenyl)butane-1,3-dionato] tit...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(4-bromophenyl)butane-1,3-dionato] tit...",NA,NA,NA,NA,NA,"PDBC56745","636477","Present",NA,NA
+"56746","cis-Dichlorobis[1-(4-chlorinephenyl)-1,3-butanedionato)]...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(4-chlorinephenyl)-1,3-butanedionato)]...",NA,NA,NA,NA,NA,"PDBC56746","634050","Present",NA,NA
+"56747","cis-Dichlorobis[1-(4-chlorinephenyl)-3-phenylpropane-1,3...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(4-chlorinephenyl)-3-phenylpropane-1,3...",NA,NA,NA,NA,NA,"PDBC56747","637817","Present",NA,NA
+"56748","cis-Dichlorobis[1-(4-dinitrophenyl)-1,3-butane dionato]t...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(4-dinitrophenyl)-1,3-butane dionato]t...",NA,NA,NA,NA,NA,"PDBC56748","632577","Present",NA,NA
+"56749","cis-Dichlorobis[1-(4-methoxyphenyl)-3-phenylpropane-1,3-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(4-methoxyphenyl)-3-phenylpropane-1,3-...",NA,NA,NA,NA,NA,"PDBC56749","637207","Present",NA,NA
+"56750","cis-Dichlorobis[1-(4-nitrophenyl)butane-1,3-dionato] tit...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(4-nitrophenyl)butane-1,3-dionato] tit...",NA,NA,NA,NA,NA,"PDBC56750","636480","Present",NA,NA
+"56751","cis-Dichlorobis[1-(phenyl-3,4-dimethoxy)butane-1,3-diona...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[1-(phenyl-3,4-dimethoxy)butane-1,3-diona...",NA,NA,NA,NA,NA,"PDBC56751","636475","Present",NA,NA
+"56752","cis-Dichlorobis[2-(3,4-dimethoxyphenyl)ethylamine]platin...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[2-(3,4-dimethoxyphenyl)ethylamine]platin...",NA,NA,NA,NA,NA,"PDBC56752","631303","Present",NA,NA
+"56753","cis-Dichlorobis[3-phenylpentane-2,4-dionato]zirconium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorobis[3-phenylpentane-2,4-dionato]zirconium(IV)",NA,NA,NA,NA,NA,"PDBC56753","637224","Present",NA,NA
+"56754","cis-Dichlorodicarbonylbis(triphenylphosphine)ruthenium(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorodicarbonylbis(triphenylphosphine)ruthenium(II)",NA,NA,NA,NA,NA,"PDBC56754","632868","Present",NA,NA
+"56755","cis-Dichlorodicarbonylbispyridinoruthenium(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Dichlorodicarbonylbispyridinoruthenium(II)",NA,NA,NA,NA,NA,"PDBC56755","631484","Present",NA,NA
+"56756","cis-Diethanolatobis[1-(3-pyridyl)-3-phenylpropane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Diethanolatobis[1-(3-pyridyl)-3-phenylpropane-1,3- d...",NA,"CC[O-].CC[O-].C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CN=CC=C2.C1=CC=C(C=C1)C(=O)[CH-]C(=O)C2=CN=CC=C2.[Ti+4]","AJNNUUPSLNYYHS-UHFFFAOYSA-N",24202299,NA,"PDBC56756","637815","Present",NA,NA
+"56757","cis-Diethoxybis[1(3,3-dionato] titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Diethoxybis[1(3,4-dimethoxyphenyl)butane-1,3-dionato...",NA,"CC[O-].CC[O-].CC(=O)[CH-]C(=O)C1=CC(=C(C=C1)OC)OC.CC(=O)[CH-]C(=O)C1=CC(=C(C=C1)OC)OC.[Ti+4]","DHKRKZUXTFOBTD-UHFFFAOYSA-N",368059,NA,"PDBC56757","638384","Present",NA,NA
+"56758","cis-Difluorobis(1-phenylhexane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Difluorobis(1-phenylhexane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC56758","637220","Present",NA,NA
+"56759","cis-Difluorobis(1-phenylpentane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Difluorobis(1-phenylpentane-1,3-dionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC56759","637221","Present",NA,NA
+"56760","cis-Difluorobis[1-(2-thienyl)butane-1,3-dionato)] titani...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Difluorobis[1-(2-thienyl)butane-1,3-dionato)] titani...",NA,NA,NA,NA,NA,"PDBC56760","636478","Present",NA,NA
+"56761","cis-Difluorobis[1-(3-indolyl)butane-1,3-dionato] titaniu...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Difluorobis[1-(3-indolyl)butane-1,3-dionato] titaniu...",NA,NA,NA,NA,NA,"PDBC56761","636482","Present",NA,NA
+"56762","cis-Difluorobis[1-(3-nitrophenyl)butane-1,3-dionato]tita...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Difluorobis[1-(3-nitrophenyl)butane-1,3-dionato]tita...",NA,NA,NA,NA,NA,"PDBC56762","637213","Present",NA,NA
+"56763","cis-Difluorobis[1-(phenyl-2,4,6-trimethyl)butane-1,3- di...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Difluorobis[1-(phenyl-2,4,6-trimethyl)butane-1,3- di...",NA,NA,NA,NA,NA,"PDBC56763","636476","Present",NA,NA
+"56764","cis-Difluorobis[2,2,6,6-tetramethyl-3,5-heptanedionato) ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Difluorobis[2,2,6,6-tetramethyl-3,5-heptanedionato) ...",NA,NA,NA,NA,NA,"PDBC56764","637216","Present",NA,NA
+"56765","cis-Difluorobis[3-phenylpentane-2,4-dionato)titanium(IV)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Difluorobis[3-phenylpentane-2,4-dionato)titanium(IV)",NA,NA,NA,NA,NA,"PDBC56765","637217","Present",NA,NA
+"56766","cis-Dihydronarciclasine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Dihydronarciclasine///cis-Dihydronarciclasine",NA,"C1C2C(C(C(C1O)O)O)NC(=O)C3=C(C4=C(C=C23)OCO4)O","SBTGHBALOCEVOR-UHFFFAOYSA-N",436050,NA,"PDBC56766","381837///381838","Present",NA,NA
+"56767","cis-Diiodobis(1-ethylimidazole)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Diiodobis(1-ethylimidazole)platinum(II)",NA,NA,NA,NA,NA,"PDBC56767","647615","Present",NA,NA
+"56768","cis-N-(1'-Phenyl)-3-acetoxy-4-phenanthrenyl-2-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Cis-N-(1'-Phenyl)-3-acetoxy-4-phenanthrenyl-2-azetidinone",NA,"CC(=O)OC1C(N(C1=O)C2=CC=CC=C2)C3=CC4=CC=CC=C4C5=CC=CC=C53","DNJQJRRCCSUMDW-RPWUZVMVSA-N",404331,NA,"PDBC56768","720530","Present",NA,NA
+"56769","cis-Sodium{cyclohexane-1,2-diamine[N-nitrosoazacyclohept...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Sodium{cyclohexane-1,2-diamine[N-nitrosoazacyclohept...",NA,"C1CCC(N(CC1)N=O)(P(=O)([O-])[O-])P(=O)([O-])[O-].C1CCC(C(C1)N)N.[Na+].[Pt+2]","XYRGBQHMFRRGFI-UHFFFAOYSA-J",24202338,NA,"PDBC56769","639615","Present",NA,NA
+"56770","cis-Tetraamine[mu-(N-nitrosoacepane-2,O2,O3,O4]diplatinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Tetraamine[.mu.-(N-nitrosoacepane-2,2-diphosphonato(...",NA,"C1CCC(N(CC1)N=O)(P(=O)([O-])[O-])P(=O)([O-])[O-].N.N.N.N.[Pt+4].[Pt+4]","VBNGQINGGIREIZ-UHFFFAOYSA-J",24202408,NA,"PDBC56770","647061","Present",NA,NA
+"56771","cis-Tetramminedichloroosmium(III)-chloride-hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Tetramminedichloroosmium(III)-chloride-hydrate",NA,NA,NA,NA,NA,"PDBC56771","632555","Present",NA,NA
+"56772","cis-Tetramminedinitrogenosmium(II)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Tetramminedinitrogenosmium(II)chloride",NA,"N.N.N.N.N#N.N#N.[Cl-].[Os+6]","KALROBSXWGDDCC-UHFFFAOYSA-M",24202193,NA,"PDBC56772","632565","Present",NA,NA
+"56773","cis-Triamminetrichlorocobalt(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Triamminetrichlorocobalt(III)",NA,NA,NA,NA,NA,"PDBC56773","630643","Present",NA,NA
+"56774","cis-Trikentrin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-Trikentrin A",NA,"CCC1=CC2=C(C(CC2C)C)C3=C1C=CN3","MALBSYUZNPGJPQ-ZJUUUORDSA-N",362023,NA,"PDBC56774","625523","Present",NA,NA
+"56775","cis-[Diammino(methylaminomethanediphosphonato)-platinum(II)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-[Diammino(methylaminomethanediphosphonato)- platinum...",NA,"CNC(P(=O)([O-])[O-])P(=O)([O-])[O-].N.N.[Pt+2]","KRFRUWOOZJWJMO-UHFFFAOYSA-J",24202188,NA,"PDBC56775","631898","Present",NA,NA
+"56776","cis-alpha-((2,3-Dimethyl-1-aziridinyl)methyl)-2-nitro-1H-imidazole-1-ethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2R,3S)-2,3-dimethylaziridin-1-yl]-3-(2-nitro-1H-imid...",NA,"CC1C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)C","VKUQQJFQNDTATQ-XOIHQXTHSA-N",149673,NA,"PDBC56776","600667","Present",NA,NA
+"56777","cis-{2-[4-Tert-Butyl-1-(2,4-dichloro-benzyl)-cyclohexyloxy]-ethyl}-dimethyl-amine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-((1-(2,4-Dichlorophenylmethyl)4-tert.butylcyclohexyl)o...",NA,"CC(C)(C)C1CCC(CC1)(CC2=C(C=C(C=C2)Cl)Cl)OCCN(C)C.Cl","FSIBYCVOFLVKGN-UHFFFAOYSA-N",382583,NA,"PDBC56777","670224","Present",NA,NA
+"56778","colchicine, n-carbethoxy-deacetyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"colchicine, n-carbethoxy-deacetyl",NA,"CCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC","NLHICQCHEWUHCR-UHFFFAOYSA-N",55498,NA,"PDBC56778","355637","Present",NA,NA
+"56779","colchicoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"colchicoside",NA,"CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O","UXAFRQPVHYZDED-UHFFFAOYSA-N",233866,NA,"PDBC56779","32992","Present",NA,NA
+"56780","compound with trifluoro-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"compound with trifluoro-acetic acid",NA,"C(CNC(=O)C(F)(F)F)NCCNC(=O)C(F)(F)F.C(=O)(C(F)(F)F)O","WUEPMEXUMQVEGN-UHFFFAOYSA-N",388777,NA,"PDBC56780","683853","Present",NA,NA
+"56781","copper-7-glucose-3-taxol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"copper-7-glucose-3-taxol",NA,NA,NA,NA,NA,"PDBC56781","794521","Present",NA,NA
+"56782","copper-elesclomol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"copper-elesclomol",NA,"CN(C(=S)C1=CC=CC=C1)[N-]C(=O)CC(=O)[N-]N(C)C(=S)C2=CC=CC=C2.[Cu+2]","UUSCWIGUMPDFDE-UHFFFAOYSA-L",155813013,NA,"PDBC56782","766922","Present",NA,NA
+"56783","corpormon",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"corpormon",NA,NA,NA,NA,NA,"PDBC56783","64948","Present",NA,NA
+"56784","cps11",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cps11",NA,"C1CC(=O)N(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CO","LZHQPJSJEITGHB-UHFFFAOYSA-N",9900574,NA,"PDBC56784","726793","Present",NA,NA
+"56785","cps42",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cps42",NA,"CC1=C2C(=C(C=C1)C)C(=O)N(C2=O)C3=C(C=C(C=C3)F)F","GGHDSBMLSIVVPC-UHFFFAOYSA-N",9900551,NA,"PDBC56785","726794","Present",NA,NA
+"56786","cps49",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cps49",NA,"C1=CC(=C(C=C1F)F)N2C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F","YSJCNZQEYLMVPJ-UHFFFAOYSA-N",9905583,NA,"PDBC56786","726796","Present",NA,NA
+"56787","crude pyronine b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"crude pyronine b",NA,NA,NA,NA,NA,"PDBC56787","3093","Present",NA,NA
+"56788","cs-1730",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cs-1730",NA,"CC1CC(C2=C(N1C(=O)C)C=CC(=C2)C3=CC=C(C=C3)C(=O)O)NC4=CC=C(C=C4)Cl","FAWSUKOIROHXAP-NPMXOYFQSA-N",52912222,NA,"PDBC56788","782763","Present",NA,NA
+"56789","cupric diethyldithiocarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cupric diethyldithiocarbamate",NA,NA,NA,NA,NA,"PDBC56789","177697","Present",NA,NA
+"56790","cyclophenazine (usan)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclophenazine (usan)",NA,"C1CC1N2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F.Cl","NZPUUDYQEPIDRF-UHFFFAOYSA-N",54600344,NA,"PDBC56790","161436","Present",NA,NA
+"56791","cyclopropane vinblastine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclopropane vinblastine",NA,"CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O","NCGOMPSMYUGVQC-WSGDVLFSSA-N",155812978,NA,"PDBC56791","761582","Present",NA,NA
+"56792","cyclopropane vincristine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclopropane vincristine sulfate",NA,"CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C=O)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O","AHLMURYDGXTCCV-AOZNSOTRSA-N",155806762,NA,"PDBC56792","762781","Present",NA,NA
+"56793","cyclopropane vinorelbine sulfate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cyclopropane vinorelbine sulfate",NA,"CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C1CC1C9)(C(C(C8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC","NXMZRTZSMAMOFH-XRFSQDKESA-N",86288942,NA,"PDBC56793","766905","Present",NA,NA
+"56794","d 69",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"d 69",NA,"CC1(N=C(N=C(N1C2=CC(=CC=C2)Cl)N)N)C.Cl","XHCUHVHWTQIMSO-UHFFFAOYSA-N",16236702,NA,"PDBC56794","3080","Present",NA,NA
+"56795","d-Sesamin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"d-Sesamin",NA,"C1C2C(COC2C3=CC4=C(C=C3)OCO4)C(O1)C5=CC6=C(C=C5)OCO6","PEYUIKBAABKQKQ-UHFFFAOYSA-N",5204,NA,"PDBC56795","640330","Present",NA,NA
+"56796","d-Tubocurarine, dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tubocurare",NA,"C[N+]1(CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC)C.[Cl-]","RQJFMVLTCXOMFD-XCCPJCIBSA-O",5351750,NA,"PDBC56796","36387","Present",NA,NA
+"56797","dabequine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dabequine",NA,"CCN(CC)CCCC(C)NC1=CC=NC2=CC3=CC=CC=C3C=C12","OUAJLVIMXOMBTL-UHFFFAOYSA-N",405448,NA,"PDBC56797","722779","Present",NA,NA
+"56798","dat1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dat1",NA,"COC1=CC=C(C=C1)NC2=NC(=C(S2)C(=O)C3=CC=CC=C3)N","IVBPIRYPDAOPPJ-UHFFFAOYSA-N",398017,NA,"PDBC56798","707090","Present",NA,NA
+"56799","deoxyhydroxyaspergillic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"deoxyhydroxyaspergillic acid",NA,NA,NA,NA,NA,"PDBC56799","127443","Present",NA,NA
+"56800","desmethyleleutherobin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"desmethyleleutherobin",NA,"CC1=CCC(C2C1CC(C3(C=CC(O3)(C(=C2)COC4C(C(C(CO4)O)O)OC(=O)C)O)C)OC(=O)C=CC5=CN(C=N5)C)C(C)C","WRPLJTYNAMMOEE-MIVNFNTKSA-N",54613300,NA,"PDBC56800","751281","Present",NA,NA
+"56801","diacetyl[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diacetyl[?]one",NA,"CC(=O)C1C2C3CC(C2C(C1=O)C(=O)C)C=C3","YHMPNGRXPJYGHK-UHFFFAOYSA-N",384582,NA,"PDBC56801","674595","Present",NA,NA
+"56802","dianilino(imino)[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dianilino(imino)[?]one",NA,"C1=CC=C(C=C1)NC2=NC3=C(S2)N4C(=C5C(=NC4=O)SC(=N5)NC6=CC=CC=C6)N=C3N","WNBZMIKECRELRE-UHFFFAOYSA-N",375683,NA,"PDBC56802","655526","Present",NA,NA
+"56803","dianilino(imino)[?]thione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dianilino(imino)[?]thione",NA,"C1=CC=C(C=C1)NC2=NC3=C(S2)N4C(=C5C(=NC4=S)SC(=N5)NC6=CC=CC=C6)N=C3N","ATMIIBWMPPQCBP-UHFFFAOYSA-N",3004448,NA,"PDBC56803","655527","Present",NA,NA
+"56804","diaporthein B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diaporthein B",NA,"CC1(CCCC23C1(C(C(=O)C4=CC(CC(C42O)O)(C)C=C)(OC3)O)O)C","FVYIOIBMUVNZMQ-JBHGINGMSA-N",54612739,NA,"PDBC56804","751295","Present",NA,NA
+"56805","dibenzyloxy[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dibenzyloxy[?]",NA,"C1C2C3C(C(C1(OCC4=CC=CC=C4)OCC5=CC=CC=C5)O2)NN=N3","USZKXDLHMKNUDS-UHFFFAOYSA-N",368613,NA,"PDBC56805","639721","Present",NA,NA
+"56806","dibromo(diphenyl)[?]tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dibromo(diphenyl)[?]tetrone",NA,"C1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C5C(C3(C6=CC=CC=C64)Br)C(=O)N(C5=O)C7=CC=CC=C7)Br","JWPNWDRMHVOXKA-UHFFFAOYSA-N",363088,NA,"PDBC56806","627654","Present",NA,NA
+"56807","dibromo[?]diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dibromo[?]diol",NA,"C1CC2=CC(=CC(=C2O)CCC3=C(C1=CC(=C3)Br)O)Br","YMAXHDXZPZXROO-UHFFFAOYSA-N",380163,NA,"PDBC56807","665601","Present",NA,NA
+"56808","dichloro(phenyl)[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dichloro(phenyl)[?]dione",NA,"C1C2C=CC(C3C1C3(Cl)Cl)N4N2C(=O)N(C4=O)C5=CC=CC=C5","GSRVKLGURKHDPG-UHFFFAOYSA-N",364367,NA,"PDBC56808","630426","Present",NA,NA
+"56809","dichloro-bis(4-fluorophenyl)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dichloro-bis(4-fluorophenyl)[?]",NA,NA,NA,NA,NA,"PDBC56809","608462","Present",NA,NA
+"56810","difluoro[?]tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"difluoro[?]tetrone",NA,"C1CCCN2C=C(C(=O)N(C2=O)CCCCCCCN3C(=O)C(=CN(C3=O)CCC1)F)F","SRRSHKJVEYSPPG-UHFFFAOYSA-N",382107,NA,"PDBC56810","669471","Present",NA,NA
+"56811","dimethyl[?]tetrol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethyl[?]tetrol",NA,"CC12CCC(C3=CC(=C(C=C31)O)O)(C4=CC(=C(C=C24)O)O)C","UXNBAVAJAVJLSQ-UHFFFAOYSA-N",361631,NA,"PDBC56811","624848","Present",NA,NA
+"56812","dimethyl[?]trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethyl[?]trione",NA,"CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C4=C(N=CC=C4)SC3=N2","UWMDPWAAWFXFPH-UHFFFAOYSA-N",391070,NA,"PDBC56812","689604","Present",NA,NA
+"56813","dimethylfasudil",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dimethylfasudil",NA,"CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)C","AWDORCFLUJZUQS-ZDUSSCGKSA-N",448043,NA,"PDBC56813","780205","Present",NA,NA
+"56814","dioxo(pent-4-enyl)[?]carbaldehyde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dioxo(pent-4-enyl)[?]carbaldehyde",NA,"C=CCCCN1C(=O)C2C3C4=CC=CC=C4C(C2C1=O)(C5=CC=CC=C35)C=O","RJLQTAAAKHJZCK-UHFFFAOYSA-N",382479,NA,"PDBC56814","670085","Present",NA,NA
+"56815","dioxo[?]carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dioxo[?]carbonitrile",NA,"C1=CC=C2C(=C1)C3C(C(=O)SC3C4=CC=CC=C4C2=O)C#N","IFEOEMPZFQACHC-UHFFFAOYSA-N",379261,NA,"PDBC56815","663706","Present",NA,NA
+"56816","dioxo[?]dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dioxo[?]dicarbonitrile",NA,"C1CC2C=CC1C3(C2(C(=O)NC3=O)C#N)C#N","FAGSLJFCHIOLDZ-UHFFFAOYSA-N",379431,NA,"PDBC56816","663976","Present",NA,NA
+"56817","dioxo[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dioxo[?]dione",NA,"C1=CC2=CC=C1N=CNNC(=O)C(=O)NNC=NC3=CC=C(S2(=O)=O)C=C3","IQTHDAXRWGVSQR-UHFFFAOYSA-N",245242,NA,"PDBC56817","56962","Present",NA,NA
+"56818","diphenyl tin benzyl prodigiosene ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diphenyl tin benzyl prodigiosene ester",NA,NA,NA,NA,NA,"PDBC56818","756779","Present",NA,NA
+"56819","diphenyl[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diphenyl[?]one",NA,"C1C2=CC(=CC=C2)CSCC3=C(C(=O)C(=C(O3)CS1)C4=CC=CC=C4)C5=CC=CC=C5","QLGYOULSFXHXRT-UHFFFAOYSA-N",373097,NA,"PDBC56819","649028","Present",NA,NA
+"56820","diphenyl[?]trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"diphenyl[?]trione",NA,"C1=CC=C(C=C1)C23C4C(C(=O)N(C4=O)C5=CC=CC=C5)ON2C6=CC=CC=C6C3=O","MFGKNCXXMLCDSY-UHFFFAOYSA-N",374515,NA,"PDBC56820","652266","Present",NA,NA
+"56821","dispiro[[?]]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dispiro[[?]]one",NA,"C1CC2(CCC13CC4=CC=CC=C4C3=O)OCCO2","KRJFUOGWTPGNEP-UHFFFAOYSA-N",380762,NA,"PDBC56821","666470","Present",NA,NA
+"56822","ditert-butyl[?]tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ditert-butyl[?]tetrone",NA,"CC(C)(C)N1C(=O)N2C3C4C5=CC=CC6=C5C(=CC=C6)C(C(N2C1=O)C7=CC=CC8=C7C3=CC=C8)N9N4C(=O)N(C9=O)C(C)(C)C","NNAFTMGXAFBRTC-UHFFFAOYSA-N",391901,NA,"PDBC56822","691582","Present",NA,NA
+"56823","dpc046",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"dpc046",NA,"COC1=CC=C(C=C1)C2=CN=C(O2)C3=C(C=NC=C3)C4=CC(=CC=C4)OC","CTNUOHRUVZXVHX-UHFFFAOYSA-N",25235411,NA,"PDBC56823","756784","Present",NA,NA
+"56824","e-rhodomycinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"e-rhodomycinone",NA,"CCC1(CC(C2=C(C1C(=O)OC)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4O)O)O)O","PYFOXRACBORDCT-UHFFFAOYSA-N",426672,NA,"PDBC56824","196524","Present",NA,NA
+"56825","elisabatin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"elisabatin A",NA,"CC1CC(C2=C(C(=O)C(=O)C3=C2C1=C(C=C3C)O)C)C=C(C)C","JVQJPMIBFYBOEO-GXFFZTMASA-N",397069,NA,"PDBC56825","704379","Present",NA,NA
+"56826","emetinetriiodobismuth(iii)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"emetinetriiodobismuth(iii)",NA,NA,NA,NA,NA,"PDBC56826","44185","Present",NA,NA
+"56827","enantiomer of PF-4176340",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"enantiomer of PF-4176340",NA,"CCC1=CNC2=C1C(=NC=N2)N3CCC(C3)(CNC(=O)C4=C(C=C(C=C4)F)F)N","MOZRQQTUYAYCQT-FQEVSTJZSA-N",25061501,NA,"PDBC56827","768070","Present",NA,NA
+"56828","epicalyxin F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"epicalyxin F",NA,"COC1=C(C(=C(C(=C1)O)C2CC(OC(C2)C3=CC=C(C=C3)O)CCC4=CC=C(C=C4)O)O)C(=O)C=CC5=CC=C(C=C5)O","LPRJKEYEZOKENY-VKTVXKIRSA-N",11635614,NA,"PDBC56828","740601","Present",NA,NA
+"56829","et 12h",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"et 12h",NA,"CCCCCCCCCCCCOCCCOP(=O)([O-])OCC[N+](C)(C)C","PMGDJIDELZDRLM-UHFFFAOYSA-N",209827,NA,"PDBC56829","337591","Present",NA,NA
+"56830","ethanol, 2-[bis(1,1-dimethylpropyl)phenoxy]-, acetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethanol, 2-[bis(1,1-dimethylpropyl)phenoxy]-, acetate",NA,NA,NA,NA,NA,"PDBC56830","3924","Present",NA,NA
+"56831","ethoxy(dimethoxy)[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethoxy(dimethoxy)[?]one",NA,"CCOC1=C(C2=C3C(=C1)C(=O)OC4=C(C=CC(=C34)C=C2)OC)OC","LFEYOTRCBIPGDM-UHFFFAOYSA-N",356188,NA,"PDBC56831","611271","Present",NA,NA
+"56832","ethoxy[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethoxy[?]dione",NA,"CCOC12C(CC3=C(O1)CCC3=O)CC4=C(O2)CCC4=O","HVTYXBVPZLPDKJ-UHFFFAOYSA-N",360973,NA,"PDBC56832","623704","Present",NA,NA
+"56833","ethyl 2-(4-oxochroman-5-yl)oxyacetate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 2-(4-oxochroman-5-yl)oxyacetate",NA,"CCOC(=O)COC1=CC=CC2=C1C(=O)CCO2","MYDSVSVEMKIZGA-UHFFFAOYSA-N",361668,NA,"PDBC56833","624886","Present",NA,NA
+"56834","ethyl 2-acetamido-2-dipentoxyphosphoryl-3,3,3-trifluoro-propanoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl 2-acetamido-2-dipentoxyphosphoryl-3,3,3-trifluoro-propanoate",NA,"CCCCCOP(=O)(C(C(=O)OCC)(C(F)(F)F)NC(=O)C)OCCCCC","WLJQWIOWMXAGCC-UHFFFAOYSA-N",383645,NA,"PDBC56834","672063","Present",NA,NA
+"56835","ethyl heptamethyl[?]carboxylate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethyl heptamethyl[?]carboxylate",NA,"CCOC(=O)C1(C2=CC=C(O2)C(C3=CC=C(O3)C(C4=CC=C(O4)C(C5=CC=C1O5)(C)C)(C)C)(C)C)C","ZEXQMECTBYFPEY-UHFFFAOYSA-N",361834,NA,"PDBC56835","625150","Present",NA,NA
+"56836","ethylsulfanyl[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ethylsulfanyl[?]one",NA,"CCSC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","HGZPBFITQPYTPF-UHFFFAOYSA-N",391210,NA,"PDBC56836","690043","Present",NA,NA
+"56837","fac-Triamminetriiodatocobalt(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fac-Triamminetriiodatocobalt(III)",NA,NA,NA,NA,NA,"PDBC56837","630635","Present",NA,NA
+"56838","fenakrom blue xr",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fenakrom blue xr",NA,"CC1=CC(=CC(=C1O)C(=O)O)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)C(=O)O.[Na+]","HJEGHSWGWSAZBS-UHFFFAOYSA-N",5351961,NA,"PDBC56838","112257","Present",NA,NA
+"56839","fiau",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fiau",NA,"C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)F)I","IPVFGAYTKQKGBM-UHFFFAOYSA-N",386483,NA,"PDBC56839","678514","Present",NA,NA
+"56840","fluopsin c",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fluopsin c",NA,NA,NA,NA,NA,"PDBC56840","178262","Present",NA,NA
+"56841","fluoro(phenyl)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fluoro(phenyl)[?]",NA,"C1=CC=C(C=C1)N2C3=C4C(OC5=CC=CC=C53)SC6=C(C4=N2)C=CC(=C6)F","BQLGPNXCFOSHFQ-UHFFFAOYSA-N",371910,NA,"PDBC56841","646494","Present",NA,NA
+"56842","fluorophenothiazine dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"fluorophenothiazine dihydrochloride",NA,"C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCOCCO.Cl","JESCMLGRQMHNDA-UHFFFAOYSA-N",24186696,NA,"PDBC56842","53638","Present",NA,NA
+"56843","from combretum caffrum plant",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"from combretum caffrum plant",NA,"COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)O","HVXBOLULGPECHP-AATRIKPKSA-N",5386397,NA,"PDBC56843","609397","Present",NA,NA
+"56844","g-tpp",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"g-tpp",NA,NA,NA,NA,NA,"PDBC56844","749923","Present",NA,NA
+"56845","gamma-(n1-thyminyl)-alpha-aminobutyric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gamma-(n1-thyminyl)-alpha-aminobutyric acid",NA,"CC1=CN(C(=O)NC1=O)CCC(C(=O)O)N","VHFGLMOVRSTCJM-UHFFFAOYSA-N",289646,NA,"PDBC56845","151831","Present",NA,NA
+"56846","gamma-Glutamyl-alpha-amino-beta-[[2-ethyl(5-fluoro-2'deoxyur idyl) N-methyl-N-(4-chlorobutyl)phosphoramidoyl]sulfonyl] propionyl-(R)-(-)-phenylglycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gamma-glutamyl-alpha-amino-beta-[[2-ethyl(5-fluoro-2'deo...",NA,"CN(CCCCCl)P(=O)(OCCS(=O)(=O)CC(C(=O)NC(C1=CC=CC=C1)C(=O)O)NC(=O)CCC(C(=O)O)N)OCC2C(CC(O2)N3C=C(C(=O)NC3=O)F)O","PHUKCJQFMFKXBU-UHFFFAOYSA-N",24205019,NA,"PDBC56846","733981","Present",NA,NA
+"56847","gamma-Hydroxy Ferruginin A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ferruginin a, trans-gamma",NA,"CC1=CC2=CC3=C(C(=CC(=O)C3(CC=C(C)C)CC=C(C)CO)O)C(=C2C(=C1CC=C(C)C)O)O","DCJDOWWEQCIZCX-VXLYETTFSA-N",5458885,NA,"PDBC56847","372452","Present",NA,NA
+"56848","gamma-L-Glutaminyl-4-hydroxybenzene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gamma-Ghb",NA,"C1=CC(=CC=C1NC(=O)CCC(C(=O)O)N)O","LOTUEIYQWILGCV-UHFFFAOYSA-N",100138,NA,"PDBC56848","339149","Present",NA,NA
+"56849","gamma-Thujaplicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thujaplicin, alpha",NA,"CC(C)C1=CC=C(C(=O)C=C1)O","WKEWHSLZDDZONF-UHFFFAOYSA-N",12649,NA,"PDBC56849","18805","Present",NA,NA
+"56850","geldanamicin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"geldanamicin",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC","QTQAWLPCGQOSGP-VKNBREQOSA-N",5281885,NA,"PDBC56850","122750","Present",NA,NA
+"56851","geldanamycin deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"geldanamycin deriv",NA,"CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCCl)C)OC)OC(=O)N)C)C)O)OC","NDSRHDSAGOYHHW-BLHFTZLPSA-N",24199293,NA,"PDBC56851","320877","Present",NA,NA
+"56852","ghl.PD_Mitscher_leg0.1044",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ghl.PD_Mitscher_leg0.1044",NA,"CC1=C(C(=O)C2C3C(C1C2=O)CC4=CC=CC=C34)O","VIMRSCGIHINOOI-UHFFFAOYSA-N",373544,NA,"PDBC56852","649997","Present",NA,NA
+"56853","ghl.PD_Mitscher_leg0.1105",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ghl.PD_Mitscher_leg0.1105",NA,"CC1C2C=C(C(=O)C(C1C3=CC=CC=C3)C2=O)O","DVPJMMIMWMZLBX-UHFFFAOYSA-N",373541,NA,"PDBC56853","649994","Present",NA,NA
+"56854","ghl.PD_Mitscher_leg0.1228",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ghl.PD_Mitscher_leg0.1228",NA,"CC1C(C2C(=O)C1C(=C(C2=O)O)C)C3=CC=C(C=C3)C","ZPRAECBDNHVVFC-UHFFFAOYSA-N",373540,NA,"PDBC56854","649993","Present",NA,NA
+"56855","ghl.PD_Mitscher_leg0.139",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ghl.PD_Mitscher_leg0.139",NA,"CC1C(C2C(=O)C1C(=C(C2=O)O)C)C3=CC=C(C=C3)Cl","FBEICSBDGJGKIP-UHFFFAOYSA-N",373543,NA,"PDBC56855","649996","Present",NA,NA
+"56856","ghl.PD_Mitscher_leg0.158",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ghl.PD_Mitscher_leg0.158",NA,"COC12CCC(C=C1)C3=C(C=CC(=C23)O)O","XYSICFSWILOHCC-UHFFFAOYSA-N",358349,NA,"PDBC56856","618314","Present",NA,NA
+"56857","ghl.PD_Mitscher_leg0.511",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ghl.PD_Mitscher_leg0.511",NA,"CC1C(C2C(=O)C1C(=C(C2=O)O)C)C3=CC=CC=C3","WLSYARRHXDDHHS-UHFFFAOYSA-N",373542,NA,"PDBC56857","649995","Present",NA,NA
+"56858","ghl.PD_Mitscher_leg0.848",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ghl.PD_Mitscher_leg0.848",NA,"COC1=C(C=C2C3=C(CCN(C3)S(=O)(=O)C4=CC=CC=C4)N(C2=C1)S(=O)(=O)C5=CC=CC=C5)NC(=O)C6=CC=CC=C6","GFVVAMSDYGEJGM-UHFFFAOYSA-N",396843,NA,"PDBC56858","703867","Present",NA,NA
+"56859","glipr1-.delta.tm",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"glipr1-.delta.tm",NA,NA,NA,NA,NA,"PDBC56859","748120","Present",NA,NA
+"56860","glucotunuifoline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"glucotunuifoline",NA,NA,NA,NA,NA,"PDBC56860","252626","Present",NA,NA
+"56861","gsk 126 intermediate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"gsk 126 intermediate",NA,"CCC(C)N1C=C(C2=C(C=C(C=C21)Br)C(=O)NCC3=C(C=C(NC3=O)C)C)C","CWZRACDIDASDPP-UHFFFAOYSA-N",67465227,NA,"PDBC56861","774832","Present",NA,NA
+"56862","guanosine, 6-thio-, platinum complex (9ci)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"guanosine, 6-thio-, platinum complex (9ci)",NA,NA,NA,NA,NA,"PDBC56862","248436","Present",NA,NA
+"56863","h8631",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"h8631",NA,"C1C(C(OC1N2C=C(C(=O)NC2=O)CO)CO)O","IPAVKOYJGUMINP-UHFFFAOYSA-N",5201346,NA,"PDBC56863","749425","Present",NA,NA
+"56864","hellebrin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hellebrin",NA,"CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=COC(=O)C=C6)C)C=O)O)O)OC7C(C(C(C(O7)CO)O)O)O","DCSLTSSPIJWEJN-UHFFFAOYSA-N",417553,NA,"PDBC56864","93134","Present",NA,NA
+"56865","hemolysin bl proteins",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hemolysin bl proteins",NA,NA,NA,NA,NA,"PDBC56865","775664","Present",NA,NA
+"56866","heptamethyl[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"heptamethyl[?]",NA,"CC1C2=CC=C(O2)C(C3=CC=C(O3)C(C4=CC=C(O4)C(C5=CC=C1O5)(C)C)(C)C)(C)C","IGOJUFJYIDZRGZ-UHFFFAOYSA-N",361835,NA,"PDBC56866","625151","Present",NA,NA
+"56867","heteromine A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"heteromine A",NA,"CN1C=[N+](C2=C1C(=NC(=N2)N(C)C)OC)C.[Cl-]","SNKXVKLOCWIXQD-UHFFFAOYSA-M",391982,NA,"PDBC56867","691767","Present",NA,NA
+"56868","hexabenzyl[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hexabenzyl[?]",NA,"C1=CC=C(C=C1)CN2C3C4N(C5C(N4CC6=CC=CC=C6)N(C(C2N5CC7=CC=CC=C7)N3CC8=CC=CC=C8)CC9=CC=CC=C9)CC1=CC=CC=C1","IUKZSMGVHPBEHK-UHFFFAOYSA-N",389847,NA,"PDBC56868","686479","Present",NA,NA
+"56869","hexachloro(tetrafluoro)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hexachloro(tetrafluoro)[?]",NA,"C12C(C3(C(=C(C1(C3(Cl)Cl)Cl)Cl)Cl)Cl)SC(C2(F)F)(F)F","IOTWKLDMBZIDBV-UHFFFAOYSA-N",379844,NA,"PDBC56869","664976","Present",NA,NA
+"56870","hexaoctyl[?]hexol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hexaoctyl[?]hexol",NA,"CCCCCCCCC1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)CCCCCCCC)CC7=C(C(=CC(=C7)CCCCCCCC)C2)O)O)CCCCCCCC)CCCCCCCC)CCCCCCCC)O","KRIRWWRJLUIGIQ-UHFFFAOYSA-N",363972,NA,"PDBC56870","629592","Present",NA,NA
+"56871","hydroxy(diphenyl)[?]tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydroxy(diphenyl)[?]tetrone",NA,"C1=CC=C(C=C1)C2=C(C3(C4C(C2C5C3C(=O)OC5=O)C(=O)OC4=O)O)C6=CC=CC=C6","GWQMHYUJTIVKRW-UHFFFAOYSA-N",366051,NA,"PDBC56871","634225","Present",NA,NA
+"56872","hydroxy(pentakis-phenyl)[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydroxy(pentakis-phenyl)[?]one",NA,"C1=CC=C(C=C1)C2=C(C(=O)C3=C2C4=CC=CC=C4C5(C3=C(C(=C5C6=CC=CC=C6)C7=CC=CC=C7)O)C8=CC=CC=C8)C9=CC=CC=C9","MBZFNPWBFITZRY-UHFFFAOYSA-N",361738,NA,"PDBC56872","624980","Present",NA,NA
+"56873","hydroxy(phenyl)[?]trione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydroxy(phenyl)[?]trione",NA,"C1C2C(C3C(C2(C4=CC=CC=C4NC1=O)O)C(=O)NC5=CC=CC=C5C3=O)C6=CC=CC=C6","BZVXSMHETRHAGD-MUPGJOOLSA-N",376188,NA,"PDBC56873","656722","Present",NA,NA
+"56874","hydroxy-diisopropoxy-phenyl-[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydroxy-diisopropoxy-phenyl-[?]one",NA,"CC(C)OC1=C(C2=C3C(=C1OC(C)C)OC(=O)N3C=CC2C4=CC=CC=C4)O","GFOCPBWEOLOEMR-UHFFFAOYSA-N",389257,NA,"PDBC56874","685010","Present",NA,NA
+"56875","hydroxy-imino-diphenyl-[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hydroxy-imino-diphenyl-[?]one",NA,"C1=CC=C(C=C1)N2C(=O)C34C(=N2)C5=C(C3(N(N=C4N)C6=CC=CC=C6)O)C=CN=C5","JNEVSWXHWISUIN-UHFFFAOYSA-N",389461,NA,"PDBC56875","685672","Present",NA,NA
+"56876","hyperbrasilol C",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"hyperbrasilol C",NA,"CC1=C(C(C(=O)C(=C1O)CC2=C(C(=C(C(=C2O)CC=C(C)C)O)C(=O)C(C)C)O)(CC=C(C)C)C(=O)C(C)C)O","PPIGATIIRZNIGE-UHFFFAOYSA-N",391023,NA,"PDBC56876","689443","Present",NA,NA
+"56877","illudin m linked to """"""""""""""""fleximer""""""""""""""""",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC742017///NSC742018",NA,NA,NA,NA,NA,"PDBC56877","742017///742018","Present",NA,NA
+"56878","imino-morpholino-phenyl-[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"imino-morpholino-phenyl-[?]one",NA,"C1CC2C3(C1)C2(C(=N)N(C3=O)C4=CC=CC=C4)N5CCOCC5","DZCNKGIVGMQFQD-UHFFFAOYSA-N",366369,NA,"PDBC56878","634745","Present",NA,NA
+"56879","insulin-methotrexate conjugate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"insulin-methotrexate conjugate",NA,NA,NA,NA,NA,"PDBC56879","648365","Present",NA,NA
+"56880","intoplicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"intoplicine",NA,"CC1=CN=C(C2=C1NC3=C2C4=C(C=C3)C=C(C=C4)O)NCCCN(C)C.CS(=O)(=O)O","POUVZUSSHJDTLE-UHFFFAOYSA-N",371069,NA,"PDBC56880","645008","Present",NA,NA
+"56881","invirase",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"invirase",NA,"CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC(C(CC3=CC=CC=C3)NC(=O)C(CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O.CS(=O)(=O)O","IRHXGOXEBNJUSN-KQBSJITFSA-N",405421,NA,"PDBC56881","722663","Present",NA,NA
+"56882","ipomoeassin F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ipomoeassin F",NA,"CCCCCC1CCCCCCC(=O)CCC(=O)OCC2C(C(C(C(O2)OC3C(C(C(OC3O1)C)OC(=O)C)O)O)OC(=O)C(=CC)C)OC(=O)C=CC4=CC=CC=C4","MNCQJKBLIYSVOV-AXYDXROSSA-N",155811679,NA,"PDBC56882","791000","Present",NA,NA
+"56883","isatin thiosemicarbazone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isatin thiosemicarbazone",NA,"C1=CC=C2C(=C1)C(=C(N2)O)N=NC(=S)N","PEYNLAQGUNUQLY-UHFFFAOYSA-N",690109,NA,"PDBC56883","721","Present",NA,NA
+"56884","isonicotinonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"isonicotinonitrile, 2,3,5-trichloro-6-(methylsulfonyl)-",NA,"CS(=O)(=O)C1=NC(=C(C(=C1Cl)C#N)Cl)Cl","NWTXKBMAZQDKMI-UHFFFAOYSA-N",97694,NA,"PDBC56884","144872","Present",NA,NA
+"56885","kaurane deriv",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kaurane deriv",NA,"CC(=O)OC1CC2C(C3(C1C45CCCC(C4CC3O)(COC5O)C)C(=O)C2=C)O","NQZSVTDLNDFMMM-UHFFFAOYSA-N",430839,NA,"PDBC56885","282159","Present",NA,NA
+"56886","kundrymycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"kundrymycin",NA,NA,NA,NA,NA,"PDBC56886","114573","Present",NA,NA
+"56887","l-Arctigenin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"l-Arctigenin",NA,"COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC","NQWVSMVXKMHKTF-UHFFFAOYSA-N",230232,NA,"PDBC56887","24871","Present",NA,NA
+"56888","lakh",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lakh",NA,"CCC1=C(C(=C2C(=C1O)C(=O)C3=CC(=C(C(=C3C2=O)C(=O)O)C(=O)O)O)O)C(=O)C","RHAXKFFKGZJUOE-UHFFFAOYSA-N",5355255,NA,"PDBC56888","170008","Present",NA,NA
+"56889","lanatoside b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lanatoside b",NA,"CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)O)O)C)C)O)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)OC9C(C(C(C(O9)CO)O)O)O)OC(=O)C)O","XVAPNQFQPDAROQ-UHFFFAOYSA-N",407583,NA,"PDBC56889","7535","Present",NA,NA
+"56890","lapinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lapinone",NA,"CCCCCC(CCCCC)(CCCCCCCCC1=C(C2=CC=CC=C2C(=O)C1=O)O)O","ZGDKVXNTDIAIEZ-UHFFFAOYSA-N",220607,NA,"PDBC56890","3578","Present",NA,NA
+"56891","laurusin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"laurusin",NA,"C1=NC2=C(NN=C2C(=O)N1)C3C(C(C(O3)CO)O)O","MTCJZZBQNCXKAP-UHFFFAOYSA-N",135476719,NA,"PDBC56891","106486","Present",NA,NA
+"56892","ldn-193594",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ldn-193594",NA,"C1=CC=C(C(=C1)C(=O)C2=C(N=C(S2)NC3=CN=CC=C3)N)F","XHJMMMPXTUEBMQ-UHFFFAOYSA-N",54581340,NA,"PDBC56892","747885","Present",NA,NA
+"56893","lithol red ca",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lithol red ca",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C4=CC=CC=C4C=C3)S(=O)(=O)O)O","SRPCPRSDICCCRQ-UHFFFAOYSA-N",14200,NA,"PDBC56893","16089","Present",NA,NA
+"56894","litomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"litomycin",NA,"CC1C2=C(C3C(O1)CC(=O)O3)C(=O)C4=C(C5=C(C(=C4C2=O)O)C6(C(OC5CC6O)C)O)O","QBQXQYSJPWXZJL-UHFFFAOYSA-N",135460332,NA,"PDBC56894","77038","Present",NA,NA
+"56895","ltbr agonist mab",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ltbr agonist mab",NA,NA,NA,NA,NA,"PDBC56895","767067","Present",NA,NA
+"56896","luzopeptin a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"luzopeptin a",NA,NA,NA,NA,NA,"PDBC56896","308312","Present",NA,NA
+"56897","m-Methoxybenzylidene cyclopropylbarbituric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m-Methoxybenzylidene cyclopropylbarbituric acid",NA,"COC1=CC=CC(=C1)C2CC23C(=O)NC(=O)NC3=O","QCWQPNRCUKKSLQ-UHFFFAOYSA-N",370540,NA,"PDBC56897","643767","Present",NA,NA
+"56898","m-Phenoxy-alpha-phenylcinnamonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m-Phenoxy-.alpha.-phenylcinnamonitrile",NA,"C1=CC=C(C=C1)C(=CC2=CC(=CC=C2)OC3=CC=CC=C3)C#N","DPFAIDMMMKMGKQ-RGEXLXHISA-N",21142137,NA,"PDBC56898","643032","Present",NA,NA
+"56899","m-Phenoxybenzylidenepinacolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m-Phenoxybenzylidenepinacolone",NA,"CC(C)(C)C(=O)C=CC1=CC(=CC=C1)OC2=CC=CC=C2","OBLPOFIMGCYGIC-OUKQBFOZSA-N",6280179,NA,"PDBC56899","643030","Present",NA,NA
+"56900","m-Tolyl-(3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl)-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"m-Tolyl-(3,4,4-trichloro-2-nitro-1-phenylsulfanyl-buta-1,3-dienyl)-amine",NA,"CC1=CC(=CC=C1)NC(=C(C(=C(Cl)Cl)Cl)[N+](=O)[O-])SC2=CC=CC=C2","KYFFZHWTUKNLHD-BMRADRMJSA-N",3106767,NA,"PDBC56900","698360","Present",NA,NA
+"56901","mab347",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mab347",NA,NA,NA,NA,NA,"PDBC56901","761264","Present",NA,NA
+"56902","mab631",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mab631",NA,NA,NA,NA,NA,"PDBC56902","759061","Present",NA,NA
+"56903","mafosfamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mafosfamide",NA,"C1CCC(CC1)N.C1COP(=O)(NC1SCCS(=O)(=O)O)N(CCCl)CCCl","AJOJXYODECALSX-UHFFFAOYSA-N",335628,NA,"PDBC56903","345842","Present",NA,NA
+"56904","margetine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"margetine",NA,"C1OC2=C(O1)C=C3C(=C2)C4=CC(C(C(C4NC3=O)O)O)O","YYDLFVZOIDOGSO-UHFFFAOYSA-N",434381,NA,"PDBC56904","349155","Present",NA,NA
+"56905","mefloquine (usan)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mefloquine (usan)",NA,"C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3C(F)(F)F)C(F)(F)F)O.Cl","WESWYMRNZNDGBX-UHFFFAOYSA-N",441362,NA,"PDBC56905","758233","Present",NA,NA
+"56906","mer-Trichlorotris-1-ethylimidazoleruthenium(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mer-Trichlorotris-1-ethylimidazoleruthenium(III)",NA,NA,NA,NA,NA,"PDBC56906","630125","Present",NA,NA
+"56907","mercaptamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mercaptamine",NA,NA,NA,NA,NA,"PDBC56907","25116","Present",NA,NA
+"56908","mercuryl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mercuryl",NA,"B(O)(O[Hg]C1=CC=CC=C1)O[Hg]C2=CC=CC=C2","HCIUVGKUNYOVBM-UHFFFAOYSA-N",16683655,NA,"PDBC56908","35683","Present",NA,NA
+"56909","merophan",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"merophan",NA,"C1=CC=C(C(=C1)CC(C(=O)O)N)N(CCCl)CCCl","ZJHNCWIVJDCKSB-UHFFFAOYSA-N",9571,NA,"PDBC56909","57199","Present",NA,NA
+"56910","meso-tetra(6-methoxy)calix[4]pyrrols",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meso-tetra(6-methoxy)calix[4]pyrrols",NA,"COC1=CC2=C(C=C1)OC(=O)C=C2C3C4=CC=C(N4)C(C5=CC=C(N5)C(C6=CC=C(N6)C(C7=CC=C3N7)C8=CC(=O)OC9=C8C=C(C=C9)OC)C1=CC(=O)OC2=C1C=C(C=C2)OC)C1=CC(=O)OC2=C1C=C(C=C2)OC","DUQOZEXAVNLCDM-UHFFFAOYSA-N",155812000,NA,"PDBC56910","788351","Present",NA,NA
+"56911","meso-tetra(6-methyl coumarin) calix[4]pyrroles",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"meso-tetra(6-methyl coumarin) calix[4]pyrroles",NA,"CC1=CC2=C(C=C1)OC(=O)C=C2C3C4=CC=C(N4)C(C5=CC=C(N5)C(C6=CC=C(N6)C(C7=CC=C3N7)C8=CC(=O)OC9=C8C=C(C=C9)C)C1=CC(=O)OC2=C1C=C(C=C2)C)C1=CC(=O)OC2=C1C=C(C=C2)C","LNCHPDRGFYTFCN-UHFFFAOYSA-N",155807270,NA,"PDBC56911","788356","Present",NA,NA
+"56912","methoxymethyldispiro[[?]]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methoxymethyldispiro[[?]]one",NA,"COCC1C(=O)C2=CC3=C(C=C2C14C=CC5(C=C4)OCCO5)OCO3","XTEOWTNFWUTXPW-UHFFFAOYSA-N",370913,NA,"PDBC56912","644651","Present",NA,NA
+"56913","methyl 4-[2-(1-ethylpropyl)-4-quinazolinylamino]benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl 4-[2-(1-ethylpropyl)-4-quinazolinylamino]benzoate",NA,"CCC(CC)C1=NC2=CC=CC=C2C(=N1)NC3=CC=C(C=C3)C(=O)OC","IXRIBIIINJPZMP-UHFFFAOYSA-N",727472,NA,"PDBC56913","730028","Present",NA,NA
+"56914","methyl(1-methylbut-3-enyl)[?]ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl(1-methylbut-3-enyl)[?]ol",NA,"CC1C2CC3=C(C1(CCN2)C(C)CC=C)C=C(C=C3)O","FFZIDAYPZLTCSZ-UHFFFAOYSA-N",379846,NA,"PDBC56914","664978","Present",NA,NA
+"56915","methyl[?]diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl[?]diamine",NA,"CC12C3=C4C=CC=C3OC5=C1C(=CC(=C5)N)OC6=CC(=CC(=C26)O4)N","BCTNDZQXDUOJQR-UHFFFAOYSA-N",393362,NA,"PDBC56915","695169","Present",NA,NA
+"56916","methyl[?]imine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methyl[?]imine",NA,"CN1C=NC2=C(C1=N)SC3=NC4=CC=CC=C4N23","SLRLPJRQQJBSMA-UHFFFAOYSA-N",392246,NA,"PDBC56916","692382","Present",NA,NA
+"56917","methylene(phenyl)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methylene(phenyl)[?]",NA,"C=C1C2C3=CC=CC=C3OC1ON2C4=CC=CC=C4","RISQKOIRISDKFS-UHFFFAOYSA-N",361149,NA,"PDBC56917","623981","Present",NA,NA
+"56918","methylenomycin a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"methylenomycin a",NA,"CC12C(C(=C)C(=O)C1(O2)C)C(=O)O","HBECYYFDLZZMPL-UHFFFAOYSA-N",122733,NA,"PDBC56918","237001","Present",NA,NA
+"56919","michicarcin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"michicarcin",NA,NA,NA,NA,NA,"PDBC56919","191959","Present",NA,NA
+"56920","mithramycin SA-L-alanine methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mithramycin SA-L-alanine methyl ester",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(C)C(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","HBSFCZMOLYSUFM-KDZHNWKMSA-N",155817209,NA,"PDBC56920","780455","Present",NA,NA
+"56921","mithramycin SA-L-glycine methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mithramycin SA-L-glycine methyl ester",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NCC(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","IYNFJJZHCUBHPC-ZKDCJRNVSA-N",155817196,NA,"PDBC56921","780456","Present",NA,NA
+"56922","mithramycin SA-L-lysine-O-tBu",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mithramycin SA-L-lysine-O-tBu",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(CCCCNC(=O)OCC6=CC=CC=C6)C(=O)OC(C)(C)C)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","OBJLIHOUBNKOFL-NXRQRZPPSA-N",155815230,NA,"PDBC56922","780461","Present",NA,NA
+"56923","mithramycin SA-L-phenylalanine methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mithramycin SA-L-phenylalanine methyl ester",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(CC6=CC=CC=C6)C(=O)OC)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","WHRHJGQUYQCUGP-GPWMUCFLSA-N",155815239,NA,"PDBC56923","780459","Present",NA,NA
+"56924","mithramycin SA-L-tryptophan methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mithramycin SA-L-tryptophan methyl ester",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(CC6=CNC7=CC=CC=C76)C(=O)OC)OC)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)OC1CC(C(C(O1)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","HDFPUIGVWMMVMM-KRZOGROPSA-N",155812178,NA,"PDBC56924","780458","Present",NA,NA
+"56925","mithramycin SA-L-tyrosine methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mithramycin SA-L-tyrosine methyl ester",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(CC6=CC=C(C=C6)O)C(=O)OC)OC)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)OC9CC(C(C(O9)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","NCZWUEWKLCSUNO-CXPSBOMVSA-N",155809014,NA,"PDBC56925","780462","Present",NA,NA
+"56926","mithramycin SA-L-valine methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mithramycin SA-L-valine methyl ester",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)NC(C(C)C)C(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","FYIRQUFQXRVBQV-DIJMLNEKSA-N",155813585,NA,"PDBC56926","780457","Present",NA,NA
+"56927","mithramycin SA-methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mithramycin SA-methyl ester",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)OC)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)O)(C)O)C(=C4C(=C3C)O)O)O)O","SQAFSVRMMTVAFE-FEDLORSXSA-N",155815035,NA,"PDBC56927","780454","Present",NA,NA
+"56928","mitocromin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mitocromin",NA,NA,NA,NA,NA,"PDBC56928","77471","Present",NA,NA
+"56929","mitoxantrone hydrochloride (usan)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mitoxantrone hydrochloride (usan)",NA,"C1=CC(=C2C(=C1NCCNCCO)C(=O)C3=C(C=CC(=C3C2=O)O)O)NCCNCCO.Cl","MKCBCZDNNZPMCG-UHFFFAOYSA-N",5458171,NA,"PDBC56929","758450","Present",NA,NA
+"56930","mono(bis(6-amino-6,7-dihydro-1H-purin-1-yl)platinum(IV))...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"mono(bis(6-amino-6,7-dihydro-1H-purin-1-yl)platinum(IV))...",NA,NA,NA,NA,NA,"PDBC56930","177395","Present",NA,NA
+"56931","monoaqua((E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"monoaqua((E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)...",NA,NA,NA,NA,NA,"PDBC56931","797763","Present",NA,NA
+"56932","monoaqua(E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)-...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"monoaqua(E)-N'-(3,5-di-tert-butyl-2-hydroxybenzylidene)-...",NA,NA,NA,NA,NA,"PDBC56932","797765","Present",NA,NA
+"56933","morpholino(phenyl)[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"morpholino(phenyl)[?]one",NA,"C1CC2C(C1)(ON3C2(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)N6CCOCC6","BLGLJWCTEAFVSH-UHFFFAOYSA-N",374524,NA,"PDBC56933","652275","Present",NA,NA
+"56934","mu-Bis(terephthalato)dimolybdenum(II)-diaquo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,".mu.-Bis(terephthalato)dimolybdenum(II)-diaquo",NA,"C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].C1=CC(=CC=C1C(=O)[O-])C(=O)[O-].[Mo+2].[Mo+2]","UQXCKSLHTFFIKM-UHFFFAOYSA-J",368535,NA,"PDBC56934","639610","Present",NA,NA
+"56935","musc_zd",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"musc_zd",NA,NA,NA,NA,NA,NA,"PDBC56935",NA,"Absent",NA,NA
+"56936","myricoside",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"myricoside",NA,"CC1C(C(C(C(O1)OC2C(C(OC(C2OC(=O)C=CC3=CC(=C(C=C3)O)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)OC5C(C(CO5)(CO)O)O)O","KAKUSAKVVYFENV-QQJCWCMXSA-N",45027866,NA,"PDBC56936","729648","Present",NA,NA
+"56937","n'-(6-Methoxyquinolin-8-yl)-n,n-dioctylhexane-1,6-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n'-(6-Methoxyquinolin-8-yl)-n,n-dioctylhexane-1,6-diamine",NA,"CCCCCCCCN(CCCCCCCC)CCCCCCNC1=C2C(=CC(=C1)OC)C=CC=N2","ZNYLWHXTCVMCEC-UHFFFAOYSA-N",245070,NA,"PDBC56937","56614","Present",NA,NA
+"56938","n'1,n'2-Diphenylethanedihydrazide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC6926",NA,"C1=CC=C(C=C1)NNC(=O)C(=O)NNC2=CC=CC=C2","KNYRBAZKFQHSLZ-UHFFFAOYSA-N",221850,NA,"PDBC56938","6926","Present",NA,NA
+"56939","n,n'-Bis(5-methylhexan-3-yl)benzene-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n,n'-Bis(5-methylhexan-3-yl)benzene-1,4-diamine",NA,"CCC(CC(C)C)NC1=CC=C(C=C1)NC(CC)CC(C)C","UKZGYDMZONDGPW-UHFFFAOYSA-N",245164,NA,"PDBC56939","56773","Present",NA,NA
+"56940","n,n'-[2,5-Bis(aziridin-1-yl)-3,6-dioxocyclohexa-1,4-diene-1,4-diyl]diheptanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Heptanamide, N,N'-[2,5-bis(1-aziridinyl)-3,6-dioxo-1,4-c...",NA,"CCCCCCC(=O)NC1=C(C(=O)C(=C(C1=O)N2CC2)NC(=O)CCCCCC)N3CC3","DGHMMLJLIHHGAO-UHFFFAOYSA-N",242907,NA,"PDBC56940","51916","Present",NA,NA
+"56941","n,n,n-Trimethyl(1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)methanaminium iodide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-Naphthalenemethanaminium, 1,2,3,4-tetrahydro-N,N,N-tri...",NA,"C[N+](C)(C)CC1CCC2=CC=CC=C2C1=O.[I-]","BPERJTVPTVXRSE-UHFFFAOYSA-M",375929,NA,"PDBC56941","656280","Present",NA,NA
+"56942","n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-2,4,4-trimethylpentan-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-2,4,4-trimethylpentan-2-amine",NA,"CC(C)(C)CC(C)(C)N(CSC1=CC=C(C=C1)Cl)CSC2=CC=C(C=C2)Cl","VGEPVMWVSYKROM-UHFFFAOYSA-N",268812,NA,"PDBC56942","109254","Present",NA,NA
+"56943","n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n,n-Bis{[(4-chlorophenyl)sulfanyl]methyl}-4-methylaniline",NA,"CC1=CC=C(C=C1)N(CSC2=CC=C(C=C2)Cl)CSC3=CC=C(C=C3)Cl","FVPONDWGZCSNHX-UHFFFAOYSA-N",248767,NA,"PDBC56943","66211","Present",NA,NA
+"56944","n,n-Dimethyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n,n-Dimethyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine",NA,"CN(C)C1=NC=NC2=C1C=CN2C3C(C(C(O3)CO)O)O","CYLYFNNDWSNWPM-UHFFFAOYSA-N",264884,NA,"PDBC56944","100279","Present",NA,NA
+"56945","n-(1,4-Dioxo-1,4-dihydronaphthalen-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ppm-18",NA,"C1=CC=C(C=C1)C(=O)NC2=CC(=O)C3=CC=CC=C3C2=O","BIVQBWSIGJFXLF-UHFFFAOYSA-N",4882,NA,"PDBC56945","73233","Present",NA,NA
+"56946","n-(1h-Benzimidazol-2-ylmethyl)-4-(trifluoromethyl)aniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(1h-Benzimidazol-2-ylmethyl)-4-(trifluoromethyl)aniline",NA,"C1=CC=C2C(=C1)NC(=N2)CNC3=CC=C(C=C3)C(F)(F)F","DDNCOSXRIORPFP-UHFFFAOYSA-N",245203,NA,"PDBC56946","56908","Present",NA,NA
+"56947","n-(2,3-Dimethylphenyl)-2-hydroxy-3-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-(2,3-dimethylphenyl)-2-hydroxy-3-nitro- (9CI)",NA,"CC1=C(C(=CC=C1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])O)C","GCJQONISBVKGOY-UHFFFAOYSA-N",255923,NA,"PDBC56947","82028","Present",NA,NA
+"56948","n-(2-(4-Chloroanilino)-1-methyl-2-oxoethoxy)-3,5-bis(trifluoromethyl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-[2-(4-chloroanilino)-1-methyl-2-oxoethoxy]-3,5-bis(tri...",NA,"CC(C(=O)NC1=CC=C(C=C1)Cl)ONC(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F","DSMXVSGJIDFLKP-UHFFFAOYSA-N",2726015,NA,"PDBC56948","742825","Present",NA,NA
+"56949","n-(2-Amino-1,2-dicyanovinyl)formamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC670237",NA,"C(=NC(=C(C#N)N)C#N)N","JOWVYROMILUUHH-PLNGDYQASA-N",5468431,NA,"PDBC56949","670237","Present",NA,NA
+"56950","n-(2-Hydroxyethyl)-4-nitrobenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzamide, N-(2-hydroxyethyl)-p-nitro-",NA,"C1=CC(=CC=C1C(=O)NCCO)[N+](=O)[O-]","HSVWGRARUBXOMD-UHFFFAOYSA-N",241548,NA,"PDBC56950","49010","Present",NA,NA
+"56951","n-(2-Methylphenyl)-n-(phenylsulfonyl)glycine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"CBMicro_002334",NA,"CC1=CC=CC=C1N(CC(=O)O)S(=O)(=O)C2=CC=CC=C2","NEYAJGGMLUBRQR-UHFFFAOYSA-N",362732,NA,"PDBC56951","626987","Present",NA,NA
+"56952","n-(2-Nitrophenyl)-3-oxobutanamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"J3.613.149G",NA,"CC(=O)CC(=O)NC1=CC=CC=C1[N+](=O)[O-]","ZBRNSHANCDLJAA-UHFFFAOYSA-N",365130,NA,"PDBC56952","632230","Present",NA,NA
+"56953","n-(2-Nitrophenyl)-9h-xanthen-9-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(2-Nitrophenyl)-9h-xanthen-9-amine",NA,"C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)NC4=CC=CC=C4[N+](=O)[O-]","UOUDUFDHSNINND-UHFFFAOYSA-N",244706,NA,"PDBC56953","55804","Present",NA,NA
+"56954","n-(3,5-Dimethyl-2,4,6-trinitrophenyl)-3,5-dimethyl-2,4,6-trinitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(3,5-Dimethyl-2,4,6-trinitrophenyl)-3,5-dimethyl-2,4,6-trinitroaniline",NA,"CC1=C(C(=C(C(=C1[N+](=O)[O-])NC2=C(C(=C(C(=C2[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-])[N+](=O)[O-])C)[N+](=O)[O-]","KLRUMXLUOGELHG-UHFFFAOYSA-N",261155,NA,"PDBC56954","93077","Present",NA,NA
+"56955","n-(3-Hydroxy-4-methoxyphenyl)-3,4,5-trimethoxybenzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC758538",NA,"COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)O","SXFWFIHSAXZJRF-UHFFFAOYSA-N",16109334,NA,"PDBC56955","758538","Present",NA,NA
+"56956","n-(3-tosylthiophen-2-yl)benzamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(3-tosylthiophen-2-yl)benzamide",NA,"CC1=CC=C(C=C1)S(=O)(=O)C2=C(SC=C2)NC(=O)C3=CC=CC=C3","JKIAQPDERNGWCB-UHFFFAOYSA-N",392839,NA,"PDBC56956","693817","Present",NA,NA
+"56957","n-(4-Hydroxy-1-naphthyl)-2-iodoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC188493",NA,"C1=CC=C2C(=C1)C(=CC=C2O)NC(=O)CI","ADGGZCDWGCLGNT-UHFFFAOYSA-N",276884,NA,"PDBC56957","188493","Present",NA,NA
+"56958","n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(4-Nitrophenyl)-1,3-benzothiazol-2-amine",NA,"C1=CC=C2C(=C1)N=C(S2)NC3=CC=C(C=C3)[N+](=O)[O-]","ZFVXGNGPIXWVEL-UHFFFAOYSA-N",234474,NA,"PDBC56958","34444","Present",NA,NA
+"56959","n-(7-Nitro-9h-fluoren-2-yl)formamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(7-Nitro-9h-fluoren-2-yl)formamide",NA,"C1C2=C(C=CC(=C2)NC=O)C3=C1C=C(C=C3)[N+](=O)[O-]","NNVUDKLVHMGGOQ-UHFFFAOYSA-N",227158,NA,"PDBC56959","18460","Present",NA,NA
+"56960","n-(butoxycarbonyl)deacetylthiocolchicine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-(butoxycarbonyl)deacetylthiocolchicine",NA,"CCCCOC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC","BJAJYTAHDSJTTM-SFHVURJKSA-N",341041,NA,"PDBC56960","372486","Present",NA,NA
+"56961","n-107-4 (streptomyces sp)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-107-4 (streptomyces sp)",NA,NA,NA,NA,NA,"PDBC56961","355638","Present",NA,NA
+"56962","n-Carbamoyl-2-iodoacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"(Iodoacetyl)urea",NA,"C(C(=O)NC(=O)N)I","LEAQQJITAXQHNQ-UHFFFAOYSA-N",234533,NA,"PDBC56962","34541","Present",NA,NA
+"56963","n-Cyclohexyl-3-hydroxynaphthalene-2-carboxamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-cyclohexyl-3-hydroxy-2-naphthamide",NA,"C1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3C=C2O","XMCXTRGQLIANRN-UHFFFAOYSA-N",235837,NA,"PDBC56963","37612","Present",NA,NA
+"56964","n-Decylaminoethanethiosulfuric acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-Decylaminoethanethiosulfuric acid",NA,"CCCCCCCCCCNCCSS(=O)(=O)O","BWZPDRUAQQXBIL-UHFFFAOYSA-N",77356,NA,"PDBC56964","320931","Present",NA,NA
+"56965","n-Ethenyl-n-methylmethanesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-Methyl-N-vinyl-methanesulfonamide",NA,"CN(C=C)S(=O)(=O)C","WZQIQDXPJLYRCF-UHFFFAOYSA-N",276092,NA,"PDBC56965","123332","Present",NA,NA
+"56966","n-Hydroxy-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"7H-Pyrrolo[2,3-d]pyrimidin-4(3H)-one, 7-.beta.-D-ribofur...",NA,"C1=CN(C2=NC=NC(=C21)NO)C3C(C(C(O3)CO)O)O","AESDJLQYSFFKSC-UHFFFAOYSA-N",275781,NA,"PDBC56966","122816","Present",NA,NA
+"56967","n-Methyl-5-nitroquinolin-6-amine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"TC-109411",NA,"CNC1=C(C2=C(C=C1)N=CC=C2)[N+](=O)[O-]","FKTDYZCHWXTGMA-UHFFFAOYSA-N",368565,NA,"PDBC56967","639644","Present",NA,NA
+"56968","n-Methylidene-4-nitroaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-Methylidene-4-nitroaniline",NA,"C=NC1=CC=C(C=C1)[N+](=O)[O-]","HXHIWKCPLNZQQD-UHFFFAOYSA-N",235506,NA,"PDBC56968","36952","Present",NA,NA
+"56969","n-Undecylformamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-Undecylformamide",NA,"CCCCCCCCCCCNC=O","SIMTXFOEYKYLRD-UHFFFAOYSA-N",268113,NA,"PDBC56969","108212","Present",NA,NA
+"56970","n-[2-(Benzyloxy)phenyl]-2,2-dichloro-n-hydroxyacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-[2-(Benzyloxy)phenyl]-2,2-dichloro-n-hydroxyacetamide",NA,"C1=CC=C(C=C1)COC2=CC=CC=C2N(C(=O)C(Cl)Cl)O","DTRKNNWKWLTQLE-UHFFFAOYSA-N",285364,NA,"PDBC56970","142226","Present",NA,NA
+"56971","n-[4-(2,3-Dihydroxypropoxy)phenyl]acetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"LS-120105",NA,"CC(=O)NC1=CC=C(C=C1)OCC(CO)O","GRAOWBQCLZIQIW-UHFFFAOYSA-N",92643,NA,"PDBC56971","636800","Present",NA,NA
+"56972","n-[4-(4-Chlorophenyl)-3,5-dicyano-6-hydroxy-2-oxopyridin-1(2h)-yl]benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-[4-(4-Chlorophenyl)-3,5-dicyano-6-hydroxy-2-oxopyridin-1(2h)-yl]benzenesulfonamide",NA,"C1=CC=C(C=C1)S(=O)(=O)NN2C(=C(C(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)C#N)O","YCMBQIXALPOGJO-UHFFFAOYSA-N",390288,NA,"PDBC56972","687580","Present",NA,NA
+"56973","n-[4-(Acridin-9-ylamino)-2-methylphenyl]methanesulfonamide methanesulfonate(1:1)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-[4-(Acridin-9-ylamino)-2-methylphenyl]methanesulfonamide methanesulfonate(1:1)",NA,"CC1=C(C=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NS(=O)(=O)C.CS(=O)(=O)O","NBCYUEHVFYAJFS-UHFFFAOYSA-N",291301,NA,"PDBC56973","156308","Present",NA,NA
+"56974","n-[6'-(Diethylamino)-3-oxo-3h-spiro[2-benzofuran-1,9'-xanthen]-2'-yl]-n-phenylacetamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[6'-(diethylamino)-3-oxospiro-[isobenzofura...",NA,"CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)C=CC(=C5)N(C6=CC=CC=C6)C(=O)C","LTRYPUNJHFFAMO-UHFFFAOYSA-N",389678,NA,"PDBC56974","686130","Present",NA,NA
+"56975","n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methylaniline",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n-{[(4-Chlorophenyl)sulfanyl]methyl}-4-methylaniline",NA,"CC1=CC=C(C=C1)NCSC2=CC=C(C=C2)Cl","WVXCLKIMORBOGJ-UHFFFAOYSA-N",245731,NA,"PDBC56975","57958","Present",NA,NA
+"56976","n1,n1-Dimethyl-n2-(1-nitroacridin-9-yl)propane-1,2-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"n1,n1-Dimethyl-n2-(1-nitroacridin-9-yl)propane-1,2-diamine",NA,"CC(CN(C)C)NC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]","OMMVCTMDWJLPLM-UHFFFAOYSA-N",125178,NA,"PDBC56976","673789","Present",NA,NA
+"56977","n1-(7-Chloroquinolin-4-yl)-n4,n4-diethyl-2-(4-methoxyphenyl)butane-1,4-diamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC10493///NSC13300",NA,"CCN(CC)CCC(CNC1=C2C=CC(=CC2=NC=C1)Cl)C3=CC=C(C=C3)OC","ONWXIFYYIJRKRF-UHFFFAOYSA-N",223171,NA,"PDBC56977","10493///13300","Present",NA,NA
+"56978","n4-(4-Iodophenyl)-5-nitrosopyrimidine-2,4,6-triamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Pyrimidine, 2,4-diamino-6-(p-iodoanilino)-5-nitroso-",NA,"C1=CC(=CC=C1NC2=NC(=NC(=C2N=O)N)N)I","CRJCMDFURROWOI-UHFFFAOYSA-N",247696,NA,"PDBC56978","62752","Present",NA,NA
+"56979","narangomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"narangomycin",NA,NA,NA,NA,NA,"PDBC56979","63445","Present",NA,NA
+"56980","ncgc00241410-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ncgc00241410-01",NA,"C1C(CN1)NC2=CC=CC(=N2)C3=CN=C4N3C=C(C=C4)Cl","RDTAHMIMQLRAMR-UHFFFAOYSA-N",25169382,NA,"PDBC56980","767162","Present",NA,NA
+"56981","ncgc00262376-01",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ncgc00262376-01",NA,"C1CNCC1NC2=CC=CC(=N2)C3=CN=C4N3C=C(C=C4)C5=CNN=C5","YERJPPBISXRGBC-OAHLLOKOSA-N",73265219,NA,"PDBC56981","767163","Present",NA,NA
+"56982","ndr a3680",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ndr a3680",NA,"C1COCCN1CCNCCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F.Cl","YMSBKLBNDJAACW-UHFFFAOYSA-N",462365,NA,"PDBC56982","169877","Present",NA,NA
+"56983","neopluramycin, hcl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"neopluramycin, hcl",NA,NA,NA,NA,NA,"PDBC56983","295564","Present",NA,NA
+"56984","nitro trifluoro benzylurea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitro trifluoro benzylurea",NA,"C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)C(F)(F)F)[N+](=O)[O-]","ICDRYYPOSXDURK-UHFFFAOYSA-N",361500,NA,"PDBC56984","624544","Present",NA,NA
+"56985","nitro-mbf-cl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nitro-mbf-cl",NA,"COC1=CC2=C(C=C1)OC(=C2)C(=O)N3CC(C4=C3C=C(C=C4)[N+](=O)[O-])CCl","QXOZQTZJASWELT-UHFFFAOYSA-N",393955,NA,"PDBC56985","696991","Present",NA,NA
+"56986","nmk1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nmk1",NA,"CC1=NC2=NC(=CC(=C2C=C1)NN=CC3=CC=CO3)C","SJGOGFDSNOVULN-SXGWCWSVSA-N",155809670,NA,"PDBC56986","771647","Present",NA,NA
+"56987","nogalamycin compound b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nogalamycin compound b",NA,"CC1=C(C2=CC3=C(C(=C2C=C1)O)C(=O)C4=C(C=C5C(=C4C3=O)OC6(C(C(C(C5(O6)C)O)N(C)C)O)C)O)C(=O)OC","OBRZWGUUEBAZNK-UHFFFAOYSA-N",4348193,NA,"PDBC56987","82892","Present",NA,NA
+"56988","nonyl[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"nonyl[?]dione",NA,"CCCCCCCCCC1CC(=O)OC23C1(O2)C(=O)CCC3","QIUSKHSSTDFNTJ-UHFFFAOYSA-N",365032,NA,"PDBC56988","631967","Present",NA,NA
+"56989","note for the structure: it's a N-oxide derivative",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"note for the structure: it's a N-oxide derivative",NA,"COC1=CC2=C(C(=O)N=C2C=C1)C=C3C=CN(C=C3)O","PZAOKUHBYRWKSU-UHFFFAOYSA-N",14952715,NA,"PDBC56989","734194","Present",NA,NA
+"56990","notonesomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"notonesomycin",NA,NA,NA,NA,NA,"PDBC56990","608604","Present",NA,NA
+"56991","o-AMSA monomethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-AMSA monomethanesulfonate",NA,"COC1=C(C=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)NS(=O)(=O)C.CS(=O)(=O)O","XTGHQDVFUMUYSW-UHFFFAOYSA-N",148799,NA,"PDBC56991","156306","Present",NA,NA
+"56992","o-Aminoazotoluene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC1797///NSC26821",NA,"CC1=CC=CC=C1N=NC2=CC(=C(C=C2)N)C","PFRYFZZSECNQOL-UHFFFAOYSA-N",7340,NA,"PDBC56992","1797///26821","Present",NA,NA
+"56993","o-Bromo-alpha-benzoyl cinnamonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Bromo-.alpha.-benzoyl cinnamonitrile",NA,"C1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2Br)C#N","IFOCECLBVDYQHT-GXDHUFHOSA-N",6061570,NA,"PDBC56993","643769","Present",NA,NA
+"56994","o-Cresolphthalein",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Cresolphthalein",NA,"CC1=CC(=C(C2=CC(=C(C=C2)O)C)C3=CC=CC=C3C(=O)O)C=CC1=O","VRKTWSJIQFFUOJ-PGMHBOJBSA-N",3246032,NA,"PDBC56994","10470","Present",NA,NA
+"56995","o-Fluoro-alpha-benzoyl cinnamonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Fluoro-.alpha.-benzoyl cinnamonitrile",NA,"C1=CC=C(C=C1)C(=O)C(=CC2=CC=CC=C2F)C#N","ACSMMSVGMDRPLV-GXDHUFHOSA-N",5904290,NA,"PDBC56995","643772","Present",NA,NA
+"56996","o-Methoxy-alpha-benzoylcinnamonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Methoxy-.alpha.-benzoylcinnamonitrile",NA,"COC1=CC=CC=C1C=C(C#N)C(=O)C2=CC=CC=C2","KZHSJEJCIOWDDR-RVDMUPIBSA-N",5345775,NA,"PDBC56996","643764","Present",NA,NA
+"56997","o-Methoxy-alpha-methylphenethylamine hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-AMINO-1-(2-METHOXYPHENYL)PROPANE, HYDROCHLORIDE",NA,"CC(CC1=CC=CC=C1OC)N.Cl","SXQBBTRLKWTAPV-UHFFFAOYSA-N",3029810,NA,"PDBC56997","1139","Present",NA,NA
+"56998","o-Methyl-N,N'-diisopropylisourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"8YEQ5QMC58",NA,"CC(C)NC(=NC(C)C)OC","PUVRRPLSJKDMKH-UHFFFAOYSA-N",383824,NA,"PDBC56998","672441","Present",NA,NA
+"56999","o-Veratroin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"o-Veratroin",NA,"COC1=CC=CC(=C1OC)C(C(=O)C2=C(C(=CC=C2)OC)OC)O","OOCMVIWZLARXOS-UHFFFAOYSA-N",231101,NA,"PDBC56999","26676","Present",NA,NA
+"57000","ochromycinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ochromycinone",NA,"CC1CC2=C(C(=O)C1)C3=C(C=C2)C(=O)C4=C(C3=O)C=CC=C4O","ZAWXOCUFQSQDJS-UHFFFAOYSA-N",363709,NA,"PDBC57000","628869","Present",NA,NA
+"57001","octyl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"octyl",NA,"CC(C)(C)CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)CC(C)(C)C)C2)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)O","KCUQVAUQRGDGKP-UHFFFAOYSA-N",366248,NA,"PDBC57001","634595","Present",NA,NA
+"57002","olive r base",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"olive r base",NA,"C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)NC4=C5C(=C(C=C4)NC(=O)C6=CC=CC=C6)C(=O)C7=CC=CC=C7C5=O)C(=O)C8=CC=CC=C8C3=O","OZMARZSNLQTLII-UHFFFAOYSA-N",5362451,NA,"PDBC57002","163299","Present",NA,NA
+"57003","oxo(phenyl)[?]tricarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"oxo(phenyl)[?]tricarbonitrile",NA,"C1CCC23C(C1)C(C(=O)N2)(C(C(N3)C4=CC=CC=C4)(C#N)C#N)C#N","UXSIPYYTPPHKCY-UHFFFAOYSA-N",395674,NA,"PDBC57003","700456","Present",NA,NA
+"57004","p,beta-Dinitrostyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p,.beta.-Dinitrostyrene",NA,"C1=CC(=CC=C1C=C[N+](=O)[O-])[N+](=O)[O-]","HABXLWPUIWFTNM-AATRIKPKSA-N",5355016,NA,"PDBC57004","23858","Present",NA,NA
+"57005","p-(2-Nitropropenyl)anisole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-(2-Nitropropenyl)anisole",NA,"CC(=CC1=CC=C(C=C1)OC)[N+](=O)[O-]","XQGFRDLMKKKSAH-FPLPWBNLSA-N",5372879,NA,"PDBC57005","65601","Present",NA,NA
+"57006","p-ARSANILIC ACID, 2-HYDROXY-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: zr cq d-as-qqo",NA,"C1=CC(=C(C=C1N)O)[As](=O)(O)O","AKYBBBJGFPEQLG-UHFFFAOYSA-N",22773,NA,"PDBC57006","31664","Present",NA,NA
+"57007","p-Acetoxy-alpha-diethylphosphono-cinnamonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Acetoxy-.alpha.-diethylphosphono-cinnamonitrile",NA,"CCOP(=O)(C(=CC1=CC=C(C=C1)OC(=O)C)C#N)OCC","PGRREVHWRZTBPS-GDNBJRDFSA-N",54611296,NA,"PDBC57007","643033","Present",NA,NA
+"57008","p-Arsenoso-N-(2-hydroxyethyl)benzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ANTINEOPLASTIC-12715",NA,"C1=CC(=CC=C1S(=O)(=O)NCCO)[As]=O","SAMCUNVIALDNBU-UHFFFAOYSA-N",224336,NA,"PDBC57008","12715","Present",NA,NA
+"57009","p-Benzenediacrylanilide,3''-bis(1,4,5,6-tetrahydro-2-pyrimidinyl)-, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Benzenediacrylanilide, 3',3''-bis(1,4,5,6-tetrahydro-2...",NA,"C1CNC(=NC1)C2=CC(=CC=C2)NC(=O)C=CC3=CC=C(C=C3)C=CC(=O)NC4=CC=CC(=C4)C5=NCCCN5.Cl","BSFOYGSAAMAMCS-ZFOVICRLSA-N",54599570,NA,"PDBC57009","80948","Present",NA,NA
+"57010","p-Benzenediarsonic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Benzenediarsonic acid",NA,"C1=CC(=CC=C1[As](=O)(O)O)[As](=O)(O)O","SLXLSSFWERNCQB-UHFFFAOYSA-N",224250,NA,"PDBC57010","12612","Present",NA,NA
+"57011","p-Benzoquinone, trimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Benzoquinone, trimethoxy-",NA,"COC1=CC(=O)C(=C(C1=O)OC)OC","OIMLWOWVDNEGEN-UHFFFAOYSA-N",238795,NA,"PDBC57011","43333","Present",NA,NA
+"57012","p-Benzoyloxybenzylchloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Benzoic acid (4-chlormethyphenyl ) ester",NA,"C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCl","NFJDWPJJWRNWNF-UHFFFAOYSA-N",13486522,NA,"PDBC57012","788822","Present",NA,NA
+"57013","p-Bromophenacyl benzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Bromophenacyl benzoate",NA,"C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br","VTEGMTYLKZOVGZ-UHFFFAOYSA-N",345792,NA,"PDBC57013","403572","Present",NA,NA
+"57014","p-CHLOROAMPHETAMINE",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-chloramphetamine",NA,"CC(CC1=CC=C(C=C1)Cl)N","WWPITPSIWMXDPE-UHFFFAOYSA-N",3127,NA,"PDBC57014","287208","Present",NA,NA
+"57015","p-Chloranilinum[bis(p-chloraniline)dioxalatoruthenate(III)]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Chloranilinum[bis(p-chloraniline)dioxalatoruthenate(III)]",NA,"[H+].C1=CC(=CC=C1N)Cl.C1=CC(=CC=C1N)Cl.C1=CC(=CC=C1N)Cl.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].[Ru+5]","NYCSEILNNDSNRR-UHFFFAOYSA-K",54608061,NA,"PDBC57015","631477","Present",NA,NA
+"57016","p-Chlorohomooxacalix[3]arene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trichloro[?]triol",NA,"C1C2=CC(=CC(=C2O)COCC3=CC(=CC(=C3O)COCC4=C(C(=CC(=C4)Cl)CO1)O)Cl)Cl","KTRUYAKVMFPBAU-UHFFFAOYSA-N",395592,NA,"PDBC57016","700322","Present",NA,NA
+"57017","p-Coumaroyltyramine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Coumaroyltyramine",NA,"C1=CC(=CC=C1CCNC(=O)C=CC2=CC=C(C=C2)O)O","RXGUTQNKCXHALN-BJMVGYQFSA-N",5372945,NA,"PDBC57017","719214","Present",NA,NA
+"57018","p-Diazodiphenylamine sulfate-paraformaldehyde polymer",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Diazodiphenylamine sulfate-paraformaldehyde polymer",NA,"C=O.C1=CC=C(C=C1)NC2=CC=C(C=C2)[N+]#N.OS(=O)(=O)O","JODZTDZTLZXXGK-UHFFFAOYSA-N",416926,NA,"PDBC57018","83628","Present",NA,NA
+"57019","p-Dimethylaminocinnamic acid, copper complex",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Dimethylaminocinnamic acid, copper complex",NA,"CN(C)C1=CC=C(C=C1)C=CC(=O)[O-].CN(C)C1=CC=C(C=C1)C=CC(=O)[O-].[Cu+2]","VJOKNHRKRUTRQR-SCMMKMJHSA-L",5351393,NA,"PDBC57019","643351","Present",NA,NA
+"57020","p-Dimethylaminocinnamic acid, sodium salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Dimethylaminocinnamic acid, sodium salt",NA,"CN(C)C1=CC=C(C=C1)C=CC(=O)O.[Na+]","VDBSBTPXTXVEHZ-HAAWTFQLSA-N",54608832,NA,"PDBC57020","643350","Present",NA,NA
+"57021","p-Ethylcalix[7]arene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Ethylcalix[7]arene",NA,"CCC1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)CC)CC7=C(C(=CC(=C7)CC)CC8=C(C(=CC(=C8)CC)C2)O)O)O)CC)CC)CC)O","KSIOLCZRPFHBDG-UHFFFAOYSA-N",366252,NA,"PDBC57021","634599","Present",NA,NA
+"57022","p-Fluorobenzylidene-bis-indanedione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Fluorobenzylidene-bis-indanedione",NA,"C1=CC=C2C(=C1)C(=O)C(C2=O)C(C3C(=O)C4=CC=CC=C4C3=O)C5=CC=C(C=C5)F","ILVOVXIEFRNHEZ-UHFFFAOYSA-N",370292,NA,"PDBC57022","643147","Present",NA,NA
+"57023","p-Isopropylcalix-6-arene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"SBN41G8CTO",NA,"CC(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)C(C)C)CC7=C(C(=CC(=C7)C(C)C)C2)O)O)C(C)C)C(C)C)C(C)C)O","HUYWXTRCNXGJSG-UHFFFAOYSA-N",366250,NA,"PDBC57023","634597","Present",NA,NA
+"57024","p-Methoxy-beta,beta-diacetylstyrene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Methoxy-.beta.,.beta.-diacetylstyrene",NA,"COC1=CC=C(C=C1)C=CC(C(=O)O)C(=O)O","JPOMTDIRVKNQCX-QPJJXVBHSA-N",5908063,NA,"PDBC57024","643765","Present",NA,NA
+"57025","p-Methylsulfonyl benzyl PDA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Methylsulfonyl benzyl PDA",NA,"CS(=O)(=O)C1=CC=C(C=C1)COP(=O)(N)N(CCCl)CCCl","YKHZULXNYWCKNE-UHFFFAOYSA-N",368408,NA,"PDBC57025","639410","Present",NA,NA
+"57026","p-Phenoxybenzylidenepinacolone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Phenoxybenzylidenepinacolone",NA,"CC(C)(C)C(=O)C=CC1=CC=C(C=C1)OC2=CC=CC=C2","OMBNYCIRAPPYPB-SDNWHVSQSA-N",5772983,NA,"PDBC57026","643029","Present",NA,NA
+"57027","p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Phenylenediamine, N,N-bis(2-chloroethyl)-, hydrochloride",NA,"C1=CC(=CC=C1N)N(CCCl)CCCl.Cl","SNFZPEZEZZWYMP-UHFFFAOYSA-N",215727,NA,"PDBC57027","44303","Present",NA,NA
+"57028","p-Sulfanilylnicotinanilide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(4-(4-aminophenyl-sulfonyl) phenyl) nicotinamide",NA,"C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)N","GVZPQGDYSJHIEW-UHFFFAOYSA-N",223187,NA,"PDBC57028","10573","Present",NA,NA
+"57029","p-Tert-Octylcalix[8]arene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-tert-Octylcalix[8]arene",NA,"CC(C)(C)CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=CC(=CC(=C6O)CC7=C(C(=CC(=C7)C(C)(C)CC(C)(C)C)CC8=C(C(=CC(=C8)C(C)(C)CC(C)(C)C)CC9=C(C(=CC(=C9)C(C)(C)CC(C)(C)C)C2)O)O)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)O","LAPRCXMWGDDFBH-UHFFFAOYSA-N",366253,NA,"PDBC57029","634600","Present",NA,NA
+"57030","p-Toluic acid, alpha-[p-(4-chloro-3-oxo-1-butenyl)anilino]-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Toluic acid, .alpha.-[p-(4-chloro-3-oxo-1-butenyl)anil...",NA,"C1=CC(=CC=C1CNC2=CC=C(C=C2)C=CC(=O)CCl)C(=O)O","JAIZIARYAVWOAL-YHYXMXQVSA-N",5380769,NA,"PDBC57030","106024","Present",NA,NA
+"57031","p-Toluidine, N-allyl-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Toluidine, N-allyl-",NA,"CC1=CC=C(C=C1)NCC=C","XXLHUDMGBJKFMJ-UHFFFAOYSA-N",246779,NA,"PDBC57031","60288","Present",NA,NA
+"57032","p-Toluquinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tolylquinone",NA,"CC1=CC(=O)C=CC1=O","VTWDKFNVVLAELH-UHFFFAOYSA-N",11122,NA,"PDBC57032","1","Present",NA,NA
+"57033","p-Tolylsulfonyl N,N-diethylcarbamodithioate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-Tolylsulfonyl N,N-diethylcarbamodithioate",NA,"CCN(CC)C(=S)SS(=O)(=O)C1=CC=C(C=C1)C","OBOBTFMASQIACX-UHFFFAOYSA-N",394909,NA,"PDBC57033","699002","Present",NA,NA
+"57034","p-t-Octylcalix[5]arene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-t-octylcalix[5]arene",NA,"CC(C)(C)CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)CC(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)CC(C)(C)C)C2)O)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)O","VOYSOXGRCXMILG-UHFFFAOYSA-N",366249,NA,"PDBC57034","634596","Present",NA,NA
+"57035","p-tolylsulfanyl[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"p-tolylsulfanyl[?]one",NA,"CC1=CC=C(C=C1)SC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5","NXDFBOPJSSHYHP-UHFFFAOYSA-N",3889749,NA,"PDBC57035","697749","Present",NA,NA
+"57036","pactamycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pactamycin",NA,"CC1=C(C(=CC=C1)O)C(=O)OCC2(C(C(C(C2(C)O)(C(C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O","WVIUOSJLUCTGFK-UHFFFAOYSA-N",413861,NA,"PDBC57036","52947","Present",NA,NA
+"57037","palladium, bis(purine-6-thiolato)- (8ci)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"palladium, bis(purine-6-thiolato)- (8ci)",NA,NA,NA,NA,NA,"PDBC57037","276296","Present",NA,NA
+"57038","pancratium littorale",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pancratium littorale",NA,NA,NA,NA,NA,"PDBC57038","376111","Present",NA,NA
+"57039","pc 255",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pc 255",NA,"C1=CC=C(C(=C1)CSC2=NC(=NC3=C2N=CN3C4C(C(C(O4)CO)O)O)N)Cl","VTBUHHDYVGHOBM-UHFFFAOYSA-N",237306,NA,"PDBC57039","40666","Present",NA,NA
+"57040","peliomycin (usan)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"peliomycin (usan)",NA,NA,NA,NA,NA,"PDBC57040","76455","Present",NA,NA
+"57041","pent-4-enyl[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pent-4-enyl[?]one",NA,"C=CCCCC12CCCC3=C1C(=CC=C3)NC2=O","AHLXYZLFKAUGCX-UHFFFAOYSA-N",373266,NA,"PDBC57041","649418","Present",NA,NA
+"57042","peptide dd1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"peptide dd1",NA,NA,NA,NA,NA,"PDBC57042","742351","Present",NA,NA
+"57043","petasitenine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"petasitenine",NA,"CC1CC2(C(O2)C)C(=O)OC3CCN(CC=C(C3=O)COC(=O)C1(C)O)C","CZQLULNMKQAIQL-ACAGNQJTSA-N",5358779,NA,"PDBC57043","288753","Present",NA,NA
+"57044","pf 19",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pf 19",NA,"C[N+](C)(C)C1=NC=NC2=C1N=CN2C3CCCO3.[Cl-]","KCNILNLRLGXUJA-UHFFFAOYSA-M",21144230,NA,"PDBC57044","53347","Present",NA,NA
+"57045","phenylpropyl caffeate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenylpropyl caffeate",NA,"C1=CC=C(C=C1)CCCOC(=O)C=CC2=CC(=C(C=C2)O)O","RUTDTHOYUUOTNF-PKNBQFBNSA-N",5922182,NA,"PDBC57045","666589","Present",NA,NA
+"57046","phenylsulfanyl[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phenylsulfanyl[?]one",NA,"C1=CC=C(C=C1)SC2=CC(=O)C3=NC4=CC=CC=C4C5=C3C2=NC=C5","JWINQZNPSAPACY-UHFFFAOYSA-N",391208,NA,"PDBC57046","690041","Present",NA,NA
+"57047","phidianidine A amine precursor",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phidianidine A amine precursor",NA,"C1=CC2=C(C=C1Br)NC=C2CC3=NC(=NO3)NCCCCCN","MIONKZLTWUYJRT-UHFFFAOYSA-N",59051601,NA,"PDBC57047","764072","Present",NA,NA
+"57048","phosphoramide mustard cyclohexylamine salt",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"phosphoramide mustard cyclohexylamine salt",NA,"C1CCC(CC1)N.C(CCl)N(CCCl)P(=O)(N)O","BGTIPRUDEMNRIP-UHFFFAOYSA-N",96355,NA,"PDBC57048","69945","Present",NA,NA
+"57049","piriqualone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"piriqualone",NA,"CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)C=CC4=CC=CC=N4","MYGZNGAHFWOCLI-YPKPFQOOSA-N",36791339,NA,"PDBC57049","96996","Present",NA,NA
+"57050","podophyllotoxin deriv. (jurd)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"podophyllotoxin deriv. (jurd)",NA,"CC1(CC(C2=CC3=C(C=C2O1)OCO3)C4=CC(=C(C(=C4)OC)OC)OC)N5CCCC5","LCDPJXWAINCJQE-UHFFFAOYSA-N",146614,NA,"PDBC57050","371002","Present",NA,NA
+"57051","prm-116",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prm-116",NA,NA,NA,NA,NA,NA,"PDBC57051",NA,"Absent",NA,NA
+"57052","prm-122",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"prm-122",NA,NA,NA,NA,NA,NA,"PDBC57052",NA,"Absent",NA,NA
+"57053","protogenkwanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"protogenkwanone",NA,"COC1=CC(=C2C(=C1)OC(=CC2=O)C3(C=CC(=O)C=C3)O)O","NBGHMZZFGYSLBV-UHFFFAOYSA-N",394646,NA,"PDBC57053","698248","Present",NA,NA
+"57054","protoporfirin 9",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"protoporfirin 9",NA,NA,NA,NA,NA,NA,"PDBC57054",NA,"Absent",NA,NA
+"57055","psi,psi-Carotene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"lycopene",NA,"CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C","OAIJSZIZWZSQBC-LWRKPGOESA-N",54603520,NA,"PDBC57055","407322","Present",NA,NA
+"57056","psi-7977",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sofosbuvir;(2S)-Isopropyl 2-(((((2R,3R,4R,5R)-5-(2,4-dio...",NA,"CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3","TTZHDVOVKQGIBA-IAAJYNJHSA-N",45375806,NA,"PDBC57056","791959","Present",NA,NA
+"57057","psoralen quinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"psoralen quinone",NA,"C1=CC(=O)OC2=C1C(=O)C3=C(C2=O)OC=C3","HKQPXEAYQPNPHV-UHFFFAOYSA-N",68083,NA,"PDBC57057","401268","Present",NA,NA
+"57058","psorospermin-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"psorospermin-diol",NA,"CC(CO)(C1CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C(=CC=C4)O)O","OKYQPZWHWUYPGE-UHFFFAOYSA-N",353282,NA,"PDBC57058","600964","Present",NA,NA
+"57059","psorspermin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"psorspermin",NA,"CC1(CO1)C2COC3=CC(=C4C(=C23)OC5=C(C4=O)C=CC=C5O)OC","MHXHBIQQHVEKNK-UHFFFAOYSA-N",429905,NA,"PDBC57059","266491","Present",NA,NA
+"57060","ptmc",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ptmc",NA,NA,NA,NA,NA,"PDBC57060","621812","Present",NA,NA
+"57061","pyran-4-Cl",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyran-4-Cl",NA,"C1C2=C(C3=C(O1)C=CC(=C3)F)OC(=C(C2C4=CC=C(C=C4)Cl)C#N)N","NUFHOXFUJJNSOS-UHFFFAOYSA-N",2739849,NA,"PDBC57061","729301","Present",NA,NA
+"57062","pyrane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrane",NA,"COC1=C(C=C(C=C1)C2C3=C(C4=C(CCC3)C=CC(=C4)F)OC(=C2C#N)N)OC","UUNIOFWUJYBVGQ-UHFFFAOYSA-N",24202985,NA,"PDBC57062","726431","Present",NA,NA
+"57063","pyranopyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyranopyrazole",NA,"C1C2C(N(N=C2C3=C(O1)C=CC(=C3)F)C4=CC=CC=C4)F","SKJRTBQZIIGMIE-UHFFFAOYSA-N",24204307,NA,"PDBC57063","731293","Present",NA,NA
+"57064","pyrazol derivatives",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrazol derivatives",NA,"CC1CC2C(N(N=C2C(=CC3=CC(=C(C=C3)OC)OC)C1)C4=CC=CC=C4)C5=CC(=C(C=C5)OC)OC","PDYDEQMVTASUAN-HAVVHWLPSA-N",24205857,NA,"PDBC57064","737023","Present",NA,NA
+"57065","pyrethrosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrethrosin",NA,"CC1=CC(C2C(CC3(C(O3)CC1)C)OC(=O)C2=C)OC(=O)C","JJMLQAVFDJXJAL-VQHVLOKHSA-N",12314793,NA,"PDBC57065","22070","Present",NA,NA
+"57066","pyrimidoanthrone yellow",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrimidoanthrone yellow",NA,"C1=CC=C2C(=C1)C3=NC=NC4=C(C=CC(=C43)C2=O)C(=O)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O","UCANIZWVDIFCHH-UHFFFAOYSA-N",72746,NA,"PDBC57066","299137","Present",NA,NA
+"57067","pyrrolidin-1-yl[?]ol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"pyrrolidin-1-yl[?]ol",NA,"C1CCC(C2(C(C1)C3=CC=CC=C32)O)N4CCCC4","WTENQFRPWYJQHG-UHFFFAOYSA-N",375501,NA,"PDBC57067","655283","Present",NA,NA
+"57068","quinaspar",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"quinaspar",NA,"C1=CC(=CC=C1C(=O)NC(CC(=O)O)C(=O)O)NCC2=CC3=C(C=C2)N=C(N=C3N)N","RJMVWPJFVJJJLO-UHFFFAOYSA-N",419263,NA,"PDBC57068","112846","Present",NA,NA
+"57069","rac-2-Methyleneoxy-1-O-octyl-myo-inositol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rac-2-Methyleneoxy-1-O-octyl-myo-inositol",NA,"CCCCCCCCOC1C(C(C(C(C12CO2)O)O)O)O","ATGBDFLYNQWXPP-UHFFFAOYSA-N",495960,NA,"PDBC57069","674554","Present",NA,NA
+"57070","rac-diop",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rac-diop",NA,"CC1(OC(C(O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C","VCHDBLPQYJAQSQ-KYJUHHDHSA-N",395120,NA,"PDBC57070","699410","Present",NA,NA
+"57071","red l",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"red l",NA,"C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)N=NC4=CC=C(C=C4)S(=O)(=O)O)O","LEYJJTBJCFGAQN-UHFFFAOYSA-N",22908,NA,"PDBC57071","47723","Present",NA,NA
+"57072","regid852023",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"regid852023",NA,"C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=CS2","YJCQYEFUYHEVTJ-UHFFFAOYSA-N",178054,NA,"PDBC57072","321792","Present",NA,NA
+"57073","reshimunne",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"reshimunne",NA,NA,NA,NA,NA,"PDBC57073","767593","Present",NA,NA
+"57074","ro 20-4468/001",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"ro 20-4468/001",NA,"C(COC=CC(C(=O)O)N)N","USGUVNUTPWXWBA-HNQUOIGGSA-N",5458447,NA,"PDBC57074","234613","Present",NA,NA
+"57075","roridin a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"roridin a",NA,"CC1CCOC(C=CC=CC(=O)OC2CC3C4(C2(C5(CCC(=CC5O3)C)COC(=O)C1O)C)CO4)C(C)O","NSFWWJIQIKBZMJ-XRQAJWLNSA-N",12315013,NA,"PDBC57075","200737","Present",NA,NA
+"57076","roseolic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"roseolic acid",NA,NA,NA,NA,NA,"PDBC57076","55202","Present",NA,NA
+"57077","rsu 1165",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rsu 1165",NA,"CC1C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)C","VKUQQJFQNDTATQ-JVIMKECRSA-N",6711257,NA,"PDBC57077","601351","Present",NA,NA
+"57078","rubiflavin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"rubiflavin",NA,NA,NA,NA,NA,"PDBC57078","105023","Present",NA,NA
+"57079","s-Triazine,6-diamino-1,2-dihydro-2,2-dimethyl-1-(p-phenethylphenyl)-, monohydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-Triazine, 4,6-diamino-1,2-dihydro-2,2-dimethyl-1-(p-ph...",NA,"CC1(N=C(N=C(N1C2=CC=C(C=C2)CCC3=CC=CC=C3)N)N)C.Cl","UUDRIDXXSRRWRL-UHFFFAOYSA-N",24191778,NA,"PDBC57079","127753","Present",NA,NA
+"57080","s-Triazine-2,4-6(1H,3H,5H)trione, 1,3,5-tris(2-hydroxyethyl)-, trimethanesulfonate (ester)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"s-Triazine-2,4-6(1H,3H,5H)trione, 1,3,5-tris(2-hydroxyet...",NA,"CS(=O)(=O)OCCN1C(=O)N(C(=O)N(C1=O)CCOS(=O)(=O)C)CCOS(=O)(=O)C","MVHYWAHKVCIALK-UHFFFAOYSA-N",239517,NA,"PDBC57080","44648","Present",NA,NA
+"57081","s-[(4-Methylphenyl)(diphenyl)methyl]cysteine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"L-Cysteine, S-[(4-methylphenyl)diphenylmethyl]- (9CI)",NA,"CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N","ZPXQDWLBSHVOEI-UHFFFAOYSA-N",275978,NA,"PDBC57081","123139","Present",NA,NA
+"57082","sanatol lc",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sanatol lc",NA,"COC1=CC(=C(C=C1NC(=O)C2=CC3=CC=CC=C3C=C2O)OC)Cl","QIHKTBRNOLQDGQ-UHFFFAOYSA-N",77955,NA,"PDBC57082","50688","Present",NA,NA
+"57083","sapindus saponin a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sapindus saponin a",NA,NA,NA,NA,NA,"PDBC57083","325659","Present",NA,NA
+"57084","sapindus saponin b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sapindus saponin b",NA,NA,NA,NA,NA,"PDBC57084","325660","Present",NA,NA
+"57085","sapindus saponin c",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sapindus saponin c",NA,NA,NA,NA,NA,"PDBC57085","325661","Present",NA,NA
+"57086","saponin p",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"saponin p",NA,NA,NA,NA,NA,"PDBC57086","100045","Present",NA,NA
+"57087","saramycetin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"saramycetin",NA,NA,NA,NA,NA,"PDBC57087","100844","Present",NA,NA
+"57088","senecioylchaparrin, 6-alpha- (b815099k220)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"senecioylchaparrin, 6-alpha- (b815099k220)",NA,"CC1C2CC(=O)OC3C24COC(C1O)(C4C5(C(C3OC(=O)C=C(C)C)C(=CC(C5O)O)C)C)O","GHYBVLUUZDLXRW-UHFFFAOYSA-N",434049,NA,"PDBC57088","341651","Present",NA,NA
+"57089","sibiromycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sibiromycin",NA,"CC=CC1=CN2C(C1)C=NC3=C(C(=C(C=C3C2=O)OC4C(C(C(C(O4)C)NC)(C)O)O)C)O","FIZXYSKSWDZADX-YQMKNSBWSA-N",60148375,NA,"PDBC57089","754311","Present",NA,NA
+"57090","siccanin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"siccanin",NA,"CC1=CC(=C2C3C4C(CCC5C4(CCCC5(C)C)CO3)(OC2=C1)C)O","UGGAILYEBCSZIV-UHFFFAOYSA-N",282001,NA,"PDBC57090","135048","Present",NA,NA
+"57091","sistomycosin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sistomycosin",NA,NA,NA,NA,NA,"PDBC57091","149789","Present",NA,NA
+"57092","sjl 621",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sjl 621",NA,"CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)NCCCNCCN","MVGLWQWRRGYGPC-UHFFFAOYSA-N",380958,NA,"PDBC57092","666753","Present",NA,NA
+"57093","sodium 8-amino-5-chloro-1,4-dioxo-7-phenyl-3,4-dihydro-1...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sodium 8-amino-5-chloro-1,4-dioxo-7-phenyl-3,4-dihydro-1...",NA,NA,NA,NA,NA,"PDBC57093","782302","Present",NA,NA
+"57094","sodium vanadate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC79535",NA,NA,NA,NA,NA,"PDBC57094","79535","Present",NA,NA
+"57095","sphinxolide E",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sphinxolide E",NA,"CC1C=CC(CC(C(C2C(C(=CC(=O)O2)C(C(CC(=CC=CC(=O)OC(C(C=CC(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC(=O)O)OC)OC)C)OC)OC)O)C)OC)OC","RNJIQGIXVCJDJF-UONDBWHXSA-N",5470535,NA,"PDBC57095","702923","Present",NA,NA
+"57096","sphinxolide F",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sphinxolide F",NA,"CC1C=CC(CC(C(C2C(C(=CC(=O)O2)C(C(CC3(C(O3)C=CC(=O)OC(C(C=CC(CC1O)OC)C)C(C)C(C(C)CCC(=O)C(C)C(CC=CN(C)C=O)OC)OC)C)OC)OC)O)C)OC)OC","PWUYJAGZSLMJTH-BETXLWEESA-N",5470536,NA,"PDBC57096","702924","Present",NA,NA
+"57097","spiro-1,3-dioxa-4,4-dimethyl-5-carboxy-2,2-diaquo-2-germ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro-1,3-dioxa-4,4-dimethyl-5-carboxy-2,2-diaquo-2-germ...",NA,NA,NA,NA,NA,"PDBC57097","648329","Present",NA,NA
+"57098","spiro-1,3-dioxa-5-carboxy-2,2-diaquo-2-Germfacyclopentane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro-1,3-dioxa-5-carboxy-2,2-diaquo-2-Germfacyclopentane",NA,NA,NA,NA,NA,"PDBC57098","648328","Present",NA,NA
+"57099","spiro-1-thia-3-oxa-4-carboxy-2,2-diaquo-2-Germacyclopentane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"spiro-1-thia-3-oxa-4-carboxy-2,2-diaquo-2-Germacyclopentane",NA,NA,NA,NA,NA,"PDBC57099","648330","Present",NA,NA
+"57100","sr 13654",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sr 13654",NA,"CCOC(=O)C1=CC2=C(C=C1)NC(=C2C)CC3=C(C4=C(N3)C=CC(=C4)C(=O)OCC)C","IWFCPFKXQUHXBU-UHFFFAOYSA-N",15981429,NA,"PDBC57100","756662","Present",NA,NA
+"57101","sr16388",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sr16388",NA,"CC1CC2=C(C=CC(=C2)O)C3C1C4CCC(=CCOCCN(C)C)C4(CC3)C.C(C(=O)O)C(CC(=O)O)(CC(=O)O)O","YCKKCNHGMXZJDR-RFVFDIJPSA-N",54612678,NA,"PDBC57101","745098","Present",NA,NA
+"57102","sri 1370",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sri 1370",NA,"C1=NC2=C(N1)C(=S)N(C=N2)CCSC3=NC=NC4=NC=NC43","CQGCYOVRVCDJGX-UHFFFAOYSA-N",5474076,NA,"PDBC57102","48388","Present",NA,NA
+"57103","sri 1454",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sri 1454",NA,"CN(C(=O)NC1=CNC(=O)NC1=O)N=O","ZLMJEQGWFPWXSL-UHFFFAOYSA-N",101298,NA,"PDBC57103","406024","Present",NA,NA
+"57104","sri 2636",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sri 2636",NA,"C1CCC(C(C1)NC(=O)N(CCCl)N=O)Cl","AVQDABCAQFMRFT-YUMQZZPRSA-N",258797,NA,"PDBC57104","88104","Present",NA,NA
+"57105","sri-013071",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sri-013071",NA,NA,NA,NA,NA,"PDBC57105","762830","Present",NA,NA
+"57106","statolon (usan)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"statolon (usan)",NA,NA,NA,NA,NA,"PDBC57106","71901","Present",NA,NA
+"57107","stearyl-kprrpytdnytrlrkqzavkkylnsiln",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"stearyl-kprrpytdnytrlrkqzavkkylnsiln",NA,NA,NA,NA,NA,"PDBC57107","705628","Present",NA,NA
+"57108","sydnone, 3,3'-ethylenedi- (8ci)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"sydnone, 3,3'-ethylenedi- (8ci)",NA,"C1=C(ON=[N+]1CC[N+]2=NOC(=C2)[O-])[O-]","CPVDYGMRFZDUMQ-UHFFFAOYSA-N",574434,NA,"PDBC57108","54671","Present",NA,NA
+"57109","t-Butyl-oxycarbonyl ethylene diaminoisosampangine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Tert-butyl N-[2-[(10-oxo-8,14-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,11,13,15-octaen-12-yl)amino]ethyl]carbamate",NA,"CC(C)(C)OC(=O)NCCNC1=CC(=O)C2=NC3=CC=CC=C3C4=C2C1=NC=C4","DWDBKAGCMXLHIL-UHFFFAOYSA-N",46854488,NA,"PDBC57109","723394","Present",NA,NA
+"57110","tallysomycin s10b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tallysomycin s10b",NA,"CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCCN)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)NC(=O)C(C(C4=CN=CN4)OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)OC(=O)N)O)NC(=O)C7=C(C(=NC(=N7)C(CC(=O)N)NCC(C(=O)N)N)N)C)O)O)O)N","MCUABSGWIRKSSZ-UHFFFAOYSA-N",153762,NA,"PDBC57110","304426","Present",NA,NA
+"57111","tallysomycin s2b",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tallysomycin s2b",NA,NA,NA,NA,NA,"PDBC57111","304425","Present",NA,NA
+"57112","tan-2483A",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tan-2483A",NA,"CC=CC1C(C=C2C(O1)C(OC2=O)C)O","UNUOWDGIBRAPFZ-ZHEKDAFDSA-N",9859151,NA,"PDBC57112","726145","Present",NA,NA
+"57113","tcrs-175",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tcrs-175",NA,"CCOC(=O)C1=C(CCC1C)N","WCURPKFAMHDRAF-UHFFFAOYSA-N",68242658,NA,"PDBC57113","767594","Present",NA,NA
+"57114","tcrs-176",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tcrs-176",NA,"CC1CCC2=C1C(=O)NC=N2","REDVLNWVZWKQLI-UHFFFAOYSA-N",136406503,NA,"PDBC57114","767595","Present",NA,NA
+"57115","tcrs-177",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tcrs-177",NA,"CC1CC(C2=C1C(=NC=N2)Cl)OC(=O)C","MGSFTBDRWHRHMG-UHFFFAOYSA-N",87076585,NA,"PDBC57115","767596","Present",NA,NA
+"57116","tcrs-178",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tcrs-178",NA,"CC1CC(C2=C1C(=NC=N2)N3CCN(CC3)C(=O)OC(C)(C)C)OC(=O)C","XAUGODHCGVOCDJ-UHFFFAOYSA-N",66618420,NA,"PDBC57116","767597","Present",NA,NA
+"57117","tert-butyl(m-tolyl)[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl(m-tolyl)[?]dione",NA,"CC1=CC(=CC=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","MZIUNYWGEPTMOJ-UHFFFAOYSA-N",397886,NA,"PDBC57117","706742","Present",NA,NA
+"57118","tert-butyl(p-tolyl)[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl(p-tolyl)[?]dione",NA,"CC1=CC=C(C=C1)N2C(=O)C3C4CC(CCC4C5=C(C3C2=O)NC6=CC=CC=C65)C(C)(C)C","IDLOLSJOEPVWGJ-UHFFFAOYSA-N",397885,NA,"PDBC57118","706741","Present",NA,NA
+"57119","tert-butyl-(2,4-dioxochroman-3-ylidene) methylcarbamate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tert-butyl-(2,4-dioxochroman-3-ylidene) methylcarbamate",NA,"CC(C)(C)OC(=O)N=CC1=C(C2=CC=CC=C2OC1=O)O","MVLUSZNPRFSHMP-LZYBPNLTSA-N",135409213,NA,"PDBC57119","667001","Present",NA,NA
+"57120","tetrabromo[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrabromo[?]dione",NA,"C1C2C(C2(Br)Br)CC3=C1C(=O)C4=C(C3=O)CC5C(C4)C5(Br)Br","AQJMKFWRNPYQEH-UHFFFAOYSA-N",367942,NA,"PDBC57120","638146","Present",NA,NA
+"57121","tetrachloro[?] oxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrachloro[?] oxide",NA,"C1=C(C2=C3C(=C1Cl)NS(=O)NC3=C(C=C2Cl)Cl)Cl","KTKFXORROXKGRW-UHFFFAOYSA-N",363038,NA,"PDBC57121","627582","Present",NA,NA
+"57122","tetrafluoro[?]one",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetrafluoro[?]one",NA,"C1=CC2=C3C(=C1)N=C4N(C3=CC=C2)C(=O)C5=C(C(=C(C(=C5S4)F)F)F)F","FCZWHJVDSRONKF-UHFFFAOYSA-N",383501,NA,"PDBC57122","671886","Present",NA,NA
+"57123","tetraoxo[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetraoxo[?]dione",NA,"C1C2=C(CC3=C1C(=O)C4=C(C3=O)CC5=C(C4)CS(=O)(=O)C5)CS(=O)(=O)C2","GOCPEQSVMMQQSX-UHFFFAOYSA-N",388215,NA,"PDBC57123","682809","Present",NA,NA
+"57124","tetraoxo[?]tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tetraoxo[?]tetrone",NA,"C1CNCC(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)CNCCCN4CCN(CCCNCC(=O)NC5=CC=C(C=C5)S(=O)(=O)C6=CC=C(C=C6)NC(=O)CNCCCN7CCN(C1)CC7)CC4","FRFGTGFAXBRHNL-UHFFFAOYSA-N",262184,NA,"PDBC57124","95609","Present",NA,NA
+"57125","thiadiazine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiadiazine",NA,"C1C(=NN2C(=NN=C2S1)C3=CC(=C(C=C3Cl)Cl)F)C4=C(C=C(C=C4)Cl)Cl","CKKCLENDEBQLDM-UHFFFAOYSA-N",24203067,NA,"PDBC57125","726626","Present",NA,NA
+"57126","thiomorpholino[?]carbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"thiomorpholino[?]carbonitrile",NA,"C1CCC2(C(C1)C3C2(CC3)C#N)N4CCSCC4","OGGHWFPTMOKFNU-UHFFFAOYSA-N",362134,NA,"PDBC57126","625710","Present",NA,NA
+"57127","tic10",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tic10",NA,"CC1=CC=CC=C1CN2CC3=C(CCN(C3=O)CC4=CC=CC=C4)N5C2=NCC5","DJNVPMWOJIZWOG-UHFFFAOYSA-N",85090241,NA,"PDBC57127","350625","Present",NA,NA
+"57128","tm-601",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tm-601",NA,NA,NA,NA,NA,"PDBC57128","741646","Present",NA,NA
+"57129","tnf-related apoptosis-inducing ligand",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tnf-related apoptosis-inducing ligand",NA,NA,NA,NA,NA,"PDBC57129","754277","Present",NA,NA
+"57130","tomatidin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tomatidin",NA,"CC1CCC2(C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)NC1","XYNPYHXGMWJBLV-PUHUBZITSA-N",231410,NA,"PDBC57130","27592","Present",NA,NA
+"57131","tortuosine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tortuosine",NA,"COC1=CC2=C3C(=C1)C4=CC(=C(C=C4C=[N+]3CC2)OC)OC.[Cl-]","YBWUPYZLRVQSKI-UHFFFAOYSA-M",397928,NA,"PDBC57131","706989","Present",NA,NA
+"57132","toxin .delta.53l",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"toxin .delta.53l",NA,NA,NA,NA,NA,"PDBC57132","671526","Present",NA,NA
+"57133","trans-1,2-Bis(3-methylthioureido)cyclohexane",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-1,2-bis(3-methylthioureido)cyclohexane",NA,"CNC(=S)NC1CCCCC1NC(=S)NC","CKAAMWWUFKCEPZ-UHFFFAOYSA-N",3004296,NA,"PDBC57133","642969","Present",NA,NA
+"57134","trans-1,2-Bis(4'-bromophenyl) ethylene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-1,2-Bis(isobutylsulphonyl)-1,2-bis(4'-bromophenyl)...",NA,"CC(C)CS(=O)(=O)C(=C(C1=CC=C(C=C1)Br)S(=O)(=O)CC(C)C)C2=CC=C(C=C2)Br","ONQHMWHNFSNWMO-QURGRASLSA-N",6380572,NA,"PDBC57134","633605","Present",NA,NA
+"57135","trans-1,2-Bis(n-propylsuphonyl)-1-2-bis(4'-bromophenyl) ethylene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-1,2-Bis(n-propylsuphonyl)-1-2-bis(4'-bromophenyl) ...",NA,"CCCS(=O)(=O)C(=C(C1=CC=C(C=C1)Br)S(=O)(=O)CCC)C2=CC=C(C=C2)Br","KXEIEEQLWSTCTK-FMQUCBEESA-N",6081374,NA,"PDBC57135","633604","Present",NA,NA
+"57136","trans-1,2-Bis(propylsulfonyl)ethene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vancide pa",NA,"CCCS(=O)(=O)C=CS(=O)(=O)CCC","YTPMCWYIRHLEGM-FPLPWBNLSA-N",5356922,NA,"PDBC57136","68091","Present",NA,NA
+"57137","trans-2,6-Diphenyltetrahydropyrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trans-2,6-Diphenyltetrahydropyrone",NA,"C1C(OC(CC1=O)C2=CC=CC=C2)C3=CC=CC=C3","CNCKPUJDRCRAJV-IAGOWNOFSA-N",388785,NA,"PDBC57137","683870","Present",NA,NA
+"57138","trans-2-Ethynyl-cycloheptanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-2-Ethynyl-cycloheptanol",NA,"C#CC1CCCCCC1O","XHVALGTUZARLIW-IENPIDJESA-N",370803,NA,"PDBC57138","644325","Present",NA,NA
+"57139","trans-2-Hydroxycyclopentanemethanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-2-Hydroxycyclopentanemethanol",NA,"C1CC(C(C1)O)CO","UADBLZFWTJHOJC-LWOQYNTDSA-N",364430,NA,"PDBC57139","630690","Present",NA,NA
+"57140","trans-3,4-Dibenzylaminothiolane 1,1-dioxide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC693431",NA,"C1C(C(CS1(=O)=O)NCC2=CC=CC=C2)NCC3=CC=CC=C3","VBWQFJPGNFMRGR-QZTJIDSGSA-N",392713,NA,"PDBC57140","693431","Present",NA,NA
+"57141","trans-3-Methylpyrazolium[tetrachlorobis-3-methylpyrazole...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-3-Methylpyrazolium[tetrachlorobis-3-methylpyrazole...",NA,NA,NA,NA,NA,"PDBC57141","635901","Present",NA,NA
+"57142","trans-4-Fluoro-4'-(methylthio)chalcone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NATDHRZXXACUCG-NYYWCZLTSA-",NA,"CSC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)F","NATDHRZXXACUCG-NYYWCZLTSA-N",5377906,NA,"PDBC57142","733155","Present",NA,NA
+"57143","trans-4-OH CCNU",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"cis-4-oh ccnu",NA,"C1CC(CCC1NC(=O)N(CCCl)N=O)O","BTNKSMIZKSHDNT-UHFFFAOYSA-N",92073,NA,"PDBC57143","239724","Present",NA,NA
+"57144","trans-Bis(acetato)ammineisoquinolineplatinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-bis(acetato)ammineisoquinolineplatinum(II)",NA,"CC(=O)[O-].CC(=O)[O-].C1=CC=C2C=NC=CC2=C1.[NH2-].[Pt+2]","HRNANLRZBUMKGM-UHFFFAOYSA-L",405451,NA,"PDBC57144","722782","Present",NA,NA
+"57145","trans-Bis(acetato)amminepyridineplatinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-bis(acetato)amminepyridineplatinum(II)",NA,"CC(=O)[O-].CC(=O)[O-].C1=CC=NC=C1.[NH2-].[Pt+2]","LXMWWZMSIMWHTF-UHFFFAOYSA-L",405450,NA,"PDBC57145","722781","Present",NA,NA
+"57146","trans-Bis(acetato)bis(thiazole)platinum(II)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-bis(acetato)bis(thiazole)platinum(II)",NA,"CC(=O)[O-].CC(=O)[O-].C1=CSC=N1.C1=CSC=N1.[Pt+2]","ALZJXHAAUDQQBQ-UHFFFAOYSA-L",405449,NA,"PDBC57146","722780","Present",NA,NA
+"57147","trans-Bis(ethylendiamine)dithiocyanatocobalt(III)thiocya...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Bis(ethylendiamine)dithiocyanatocobalt(III)thiocya...",NA,NA,NA,NA,NA,"PDBC57147","630632","Present",NA,NA
+"57148","trans-Bis(ethylenediamine)dichloroosmium(III)chloride- h...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Bis(ethylenediamine)dichloroosmium(III)chloride- h...",NA,NA,NA,NA,NA,"PDBC57148","632556","Present",NA,NA
+"57149","trans-Bis(propane-1,2-diamine)dichloroosmium(IV)chloride...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Bis(propane-1,2-diamine)dichloroosmium(IV)chloride...",NA,NA,NA,NA,NA,"PDBC57149","632563","Present",NA,NA
+"57150","trans-Bis(propane-1,2-diamine)dioxoosmium(VI)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Bis(propane-1,2-diamine)dioxoosmium(VI)chloride",NA,"CC(CN)N.CC(CN)N.O=[Os+2]=O.[Cl-]","HOWILJFSVCYUJG-UHFFFAOYSA-M",24202191,NA,"PDBC57150","632562","Present",NA,NA
+"57151","trans-Bisethylendiaminedioxoosmium(VI)chloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Bisethylendiaminedioxoosmium(VI)chloride",NA,"C(CN)N.C(CN)N.O=[Os+2]=O.[Cl-]","LOFLZLNARSGYAV-UHFFFAOYSA-M",24201962,NA,"PDBC57151","632558","Present",NA,NA
+"57152","trans-Dichloro-cis-dichlorobis(1-ethylimidazole)- platin...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Dichloro-cis-dichlorobis(1-ethylimidazole)- platin...",NA,NA,NA,NA,NA,"PDBC57152","647620","Present",NA,NA
+"57153","trans-Dichlorobis(2,4-pentandionato)osmium(VI)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Dichlorobis(2,4-pentandionato)osmium(VI)",NA,NA,NA,NA,NA,"PDBC57153","632560","Present",NA,NA
+"57154","trans-Dichlorobis(cyclohexane-1,2-diamine)cobalt(III) ch...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Dichlorobis(cyclohexane-1,2-diamine)cobalt(III) ch...",NA,NA,NA,NA,NA,"PDBC57154","632568","Present",NA,NA
+"57155","trans-Dichlorobis(ethylendiamine)cobalt(III)thiocyanate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Dichlorobis(ethylendiamine)cobalt(III)thiocyanate",NA,NA,NA,NA,NA,"PDBC57155","630631","Present",NA,NA
+"57156","trans-Indazolium-tetrachlorobis(indazole)ruthenate(III)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Indazolium-tetrachlorobis(indazole)ruthenate(III)",NA,NA,NA,NA,NA,"PDBC57156","666158","Present",NA,NA
+"57157","trans-N(6'-Chrysenyl)-3-acetoxy-4-phenyl-2-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-N(6'-Chrysenyl)-3-acetoxy-4-phenyl-2-azetidinone",NA,"CC(=O)OC1C(N(C1=O)C2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)C6=CC=CC=C6","ODHJRSPLOFJCKF-VSGBNLITSA-N",404329,NA,"PDBC57157","720528","Present",NA,NA
+"57158","trans-N-(6-Chrysenyl)-3-mesyloxy-4-phenyl-2-azetidinone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-N-(6-chrysenyl)-3-mesyloxy-4-phenyl-2-azetidinone",NA,"CS(=O)(=O)OC1C(N(C1=O)C2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)C6=CC=CC=C6","LIXJMPNUXCZYFE-KAYWLYCHSA-N",24203669,NA,"PDBC57158","729109","Present",NA,NA
+"57159","trans-N-Hydroxy-4-acetylaminostilbene",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(p-Styrylphenyl)acetohydroxamic acid",NA,"CC(=O)N(C1=CC=C(C=C1)C=CC2=CC=CC=C2)O","RWXNJPBIVZZSQA-BQYQJAHWSA-N",6054491,NA,"PDBC57159","83219","Present",NA,NA
+"57160","trans-N-[4-(4-Chlorophenylaminomethyl)cyclohexylmethyl]-biph enyl-4-sulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trans-N-[4-(4-Chlorophenylaminomethyl)cyclohexylmethyl]-...",NA,"C1CC(CCC1CNC2=CC=C(C=C2)Cl)CNS(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4","YISVZYGKPDVVTF-UHFFFAOYSA-N",24204376,NA,"PDBC57160","731620","Present",NA,NA
+"57161","trans-N-{4-(3,4-Dimetoxiphenyl-4-aminocarbonyl)cyclohexylmet hyl}benzene sulfonamide.",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trans-N-{4-(3,4-dimetoxiphenyl-4-aminocarbonyl)cyclohexy...",NA,"COC1=C(C=C(C=C1)NC(=O)C2CCC(CC2)CNS(=O)(=O)C3=CC=CC=C3)OC","AYBMHGXFBDWJKE-UHFFFAOYSA-N",24205195,NA,"PDBC57161","734529","Present",NA,NA
+"57162","trans-N-{4-[N'-(4-Chlorophenyl)hydrazinocarbonyl]cyclohexylm ethyl}-2-chlorobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trans-N-{4-[N'-(4-chlorophenyl)hydrazinocarbonyl]cyclohe...",NA,"C1CC(CCC1CNS(=O)(=O)C2=CC=CC=C2Cl)C(=O)NNC3=CC=C(C=C3)Cl","BDGJZYZTLCONOI-UHFFFAOYSA-N",24204371,NA,"PDBC57162","731615","Present",NA,NA
+"57163","trans-N-{4-[N'-(4-Fluorophenyl)hydrazinocarbonyl]cyclohexylm ethyl}-3,4-dichlorobenzenesulfonamide",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Trans-N-{4-[N'-(4-fluorophenyl)hydrazinocarbonyl]cyclohe...",NA,"C1CC(CCC1CNS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)NNC3=CC=C(C=C3)F","IXYDQLZVUTXAFC-UHFFFAOYSA-N",24204377,NA,"PDBC57163","731621","Present",NA,NA
+"57164","trans-Trikentrin B",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-Trikentrin B",NA,"CCC=CC1=C2C(CC(C2=C3C(=C1)C=CN3)C)C","LCPXZNXUNXCSGA-CTIHDASJSA-N",5387644,NA,"PDBC57164","625522","Present",NA,NA
+"57165","trans-[Aquabis(2,2'-bipyridyl)chloroneodymium(III) -dich...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-[Aquabis(2,2'-bipyridyl)chloroneodymium(III) -dich...",NA,NA,NA,NA,NA,"PDBC57165","632728","Present",NA,NA
+"57166","trans-[Aquabis(2,2'-bipyridyle)chlorocerium(III)-dichloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-[Aquabis(2,2'-bipyridyle)chlorocerium(III)-dichloride",NA,NA,NA,NA,NA,"PDBC57166","632732","Present",NA,NA
+"57167","trans-[Aquachlorbis(1,10-phenanthroline)lanthanum(III)] ...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-[Aquachlorbis(1,10-phenanthroline)lanthanum(III)] ...",NA,NA,NA,NA,NA,"PDBC57167","632738","Present",NA,NA
+"57168","trans-[Aquachlorobis(1,10-phenanthroline) neodymium(III)...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-[Aquachlorobis(1,10-phenanthroline) neodymium(III)...",NA,NA,NA,NA,NA,"PDBC57168","632731","Present",NA,NA
+"57169","trans-[Aquachlorobis(1,10-phenanthroline)cerium(III) -di...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-[Aquachlorobis(1,10-phenanthroline)cerium(III) -di...",NA,NA,NA,NA,NA,"PDBC57169","632735","Present",NA,NA
+"57170","trans-[Bis-2,2'-bipyridinedioxoruthenium(VI)]-perchlorate-hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trans-[Bis-2,2'-bipyridinedioxoruthenium(VI)]- perchlora...",NA,"C1=CC=NC(=C1)C2=CC=CC=N2.C1=CC=NC(=C1)C2=CC=CC=N2.[O-]Cl(=O)(=O)=O.O=[Ru]=O","IWIJUKYJDICEHX-UHFFFAOYSA-M",24202183,NA,"PDBC57170","631481","Present",NA,NA
+"57171","trans-p-Menth-6-ene-2,8-diol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Sobrerol",NA,"CC1=CCC(CC1O)C(C)(C)O","OMDMTHRBGUBUCO-VEDVMXKPSA-N",369311,NA,"PDBC57171","641065","Present",NA,NA
+"57172","tribromo(methyl)[?]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tribromo(methyl)[?]",NA,"CC12C3=C4C=C(C=C3OC5=CC(=CC(=C51)OC6=C2C(=CC(=C6)Br)O4)Br)Br","MTZXICHUJJELGG-UHFFFAOYSA-N",393370,NA,"PDBC57172","695178","Present",NA,NA
+"57173","trimethyldispiro[[?]]",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trimethyldispiro[[?]]",NA,"CC1CCC2(CC1)C3CC(CCC3=NC4(N2)CCC(CC4)C)C","SNCVDKMWIGLGTO-UHFFFAOYSA-N",379436,NA,"PDBC57173","663982","Present",NA,NA
+"57174","triostin a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triostin a",NA,"CC1C(=O)N(C2CSSCC(C(=O)N(C(C(=O)OCC(C(=O)N1)NC(=O)C3=NC4=CC=CC=C4N=C3)C(C)C)C)N(C(=O)C(NC(=O)C(COC(=O)C(N(C2=O)C)C(C)C)NC(=O)C5=NC6=CC=CC=C6N=C5)C)C)C","GULVULFEAVZHHC-UHFFFAOYSA-N",316447,NA,"PDBC57174","244425","Present",NA,NA
+"57175","triphenyl[?]dione",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triphenyl[?]dione",NA,"C1=CC=C(C=C1)C23C4C(C(=O)N(C4=O)C5=CC=CC=C5)C(O2)(C6=CC=CC=C36)C7=CC=CC=C7","KWMPZTMQZIIVKU-UHFFFAOYSA-N",363013,NA,"PDBC57175","627552","Present",NA,NA
+"57176","triphenyl[?]tetrone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triphenyl[?]tetrone",NA,"C1=CC=C(C=C1)N2C3=CC=CC=C3C4=CC5C6C(C42C7C5C(=O)N(C7=O)C8=CC=CC=C8)C(=O)N(C6=O)C9=CC=CC=C9","HDECCIGJLYSZPJ-UHFFFAOYSA-N",363328,NA,"PDBC57176","628185","Present",NA,NA
+"57177","triplex metallohelix HS142",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triplex metallohelix HS142",NA,NA,NA,NA,NA,"PDBC57177","796343","Present",NA,NA
+"57178","triplex metallohelix HS224",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"triplex metallohelix HS224",NA,NA,NA,NA,NA,"PDBC57178","796342","Present",NA,NA
+"57179","tris(2-furyl)-oxo-[?]dicarbonitrile",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tris(2-furyl)-oxo-[?]dicarbonitrile",NA,"C1CCC2=C(C1)C3(C(=O)N4C(NC(N=C4C3(C(N2)C5=CC=CO5)C#N)C6=CC=CO6)C7=CC=CO7)C#N","SJCMULPQDSQJCF-UHFFFAOYSA-N",394327,NA,"PDBC57179","697696","Present",NA,NA
+"57180","tropolone, 4-chloro-6,7-dimethoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tropolone, 4-chloro-6,7-dimethoxy-",NA,"COC1=CC(=CC(=O)C(=C1OC)O)Cl","AYKRMZIQYCEBJN-UHFFFAOYSA-N",373247,NA,"PDBC57180","649311","Present",NA,NA
+"57181","trypan red",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"trypan red",NA,"C1=CC(=CC=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)N=NC5=C6C=CC(=CC6=CC(=C5N)S(=O)(=O)O)S(=O)(=O)O","CWWJGMXENHLBBV-UHFFFAOYSA-N",73032,NA,"PDBC57181","11243","Present",NA,NA
+"57182","tryptamine sulfonamide, 37a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tryptamine sulfonamide, 37a",NA,"CC1=CC=C(C=C1)S(=O)(=O)NCCC2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC","WIWFZAFGANEVLX-UHFFFAOYSA-N",363314,NA,"PDBC57182","628134","Present",NA,NA
+"57183","tx-045816",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tx-045816",NA,"C1=CC2=C3C(=C1)C(=O)OC(C3=CC=C2)(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O","JCXWFZRDEFLLDH-UHFFFAOYSA-N",348092,NA,"PDBC57183","407135","Present",NA,NA
+"57184","tx262",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"tx262",NA,"CS(=O)(=O)OC1C(N(C1=O)C2=CC3=C(C=CC4=CC=CC=C43)C5=CC=CC=C52)C6=CC=CC=N6","LLBQPYBZHNVHLM-CLJLJLNGSA-N",71551515,NA,"PDBC57184","777574","Present",NA,NA
+"57185","u 10520a",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"u 10520a",NA,"CCN(CC)CCOC1=CC=C(C=C1)C2=C(CCC3=C2C=CC(=C3)OC)C4=CC=CC=C4.Cl","OCBYPUOOURACHR-UHFFFAOYSA-N",200229,NA,"PDBC57185","70732","Present",NA,NA
+"57186","u-Oxo-dichlorotetrakis(1-phenylbutane-1,3-dionato)ditita...",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"u-Oxo-dichlorotetrakis(1-phenylbutane-1,3-dionato)ditita...",NA,NA,NA,NA,NA,"PDBC57186","638745","Present",NA,NA
+"57187","uracil, 1-(1-adamantylcarboxamido)-5-fluoro-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"uracil, 1-(1-adamantylcarboxamido)-5-fluoro-",NA,"C1C2CC3CC1CC(C2)(C3)C(=O)NN4C=C(C(=O)NC4=O)F","PDKDCUWYURDJIJ-UHFFFAOYSA-N",387541,NA,"PDBC57187","681451","Present",NA,NA
+"57188","variamycin SA",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"variamycin SA",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O","MKWGCJHAKUGJFW-ZQLAVUBWSA-N",155810540,NA,"PDBC57188","782395","Present",NA,NA
+"57189","variamycin SDK",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"variamycin SDK",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(=O)C(=O)C)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O","KFUFVQHVACJVSE-RSONUFKPSA-N",155815670,NA,"PDBC57189","782393","Present",NA,NA
+"57190","variamycin SK",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"variamycin SK",NA,"CC1C(C(CC(O1)OC2CC(OC(C2O)C)OC3=CC4=CC5=C(C(=O)C(C(C5)C(C(C(=O)C)O)OC)OC6CC(C(C(O6)C)O)OC7CC(C(C(O7)C)O)OC8CC(C(C(O8)C)OC)O)C(=C4C(=C3C)O)O)O)O","BYRUSBJZFJEJLW-ADFDXATNSA-N",155808704,NA,"PDBC57190","782392","Present",NA,NA
+"57191","viridomycin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"viridomycin",NA,"CC12C=CC=CC=CC=CC(=O)NC(C=CC=CC=CC=CC(OC(=O)C1=C(C(C2O)OC)O)(C)O)C3=CC=CC=C3","HVEDUANUPUFIBT-KWCYCYFSSA-N",54720824,NA,"PDBC57191","236657","Present",NA,NA
+"57192","vittatine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"vittatine",NA,"C1CN2CC3=CC4=C(C=C3C15C2CC(C=C5)O)OCO4","RPAORVSEYNOMBR-LYRGGWFBSA-N",398938,NA,"PDBC57192","709253","Present",NA,NA
+"57193","wa007-00",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wa007-00",NA,"CN1C2=CC=CC=C2C3=C1N=C(N=N3)NNCC4=CC=CC=N4.Cl","MYXLKMPLCKDCEX-UHFFFAOYSA-N",54613170,NA,"PDBC57193","751286","Present",NA,NA
+"57194","win 20226",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"win 20226",NA,"CCN(CC)CC(C)NC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]","GSOJJHJLNPCZCN-UHFFFAOYSA-M",24186469,NA,"PDBC57194","51146","Present",NA,NA
+"57195","win 4057",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"win 4057",NA,"CCN(CC)CCNC1=C2C(=C(C=C1)[N+](=O)[O-])SC3=CC=CC=C3C2=O.[Cl-]","IQLKCOBJHPAVHO-UHFFFAOYSA-M",24185157,NA,"PDBC57195","38111","Present",NA,NA
+"57196","wln: &g",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: &g",NA,"CCN(CC)C1=CC2=C(C=C1)N=C3C4=CC=CC=C4C(=NC(=O)C5=CC=CC=C5C6=C7C=CC(=CC7=[O+]C8=C6C=CC(=C8)N(CC)CC)N(CC)CC)C=C3O2.[Cl-]","UYQVPCFMVWEDCA-UHFFFAOYSA-M",73372,NA,"PDBC57196","326193","Present",NA,NA
+"57197","wln: 16sym2&un2 &ih",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: 16sym2&un2 &ih",NA,"CCCCCCCCCCCCCCCCSC(=NCC)NCC.I","JOANHRCWWUJBAQ-UHFFFAOYSA-N",79276,NA,"PDBC57197","3523","Present",NA,NA
+"57198","wln: 1vo-hg-r b1 c1 e1 f1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: 1vo-hg-r b1 c1 e1 f1",NA,"CC1=CC(=C(C(=C1C)[Hg]OC(=O)C)C)C","HWRVQNMGKGGEAO-UHFFFAOYSA-M",16683022,NA,"PDBC57198","174177","Present",NA,NA
+"57199","wln: gr dmyus&mvr",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: gr dmyus&mvr",NA,"C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)Cl","IZEIGTLVMJBUQC-UHFFFAOYSA-N",701011,NA,"PDBC57199","5816","Present",NA,NA
+"57200","wln: l5yj auygvm2n2&2 bg cg dg eg",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: l5yj auygvm2n2&2 bg cg dg eg",NA,"CCN(CC)CCNC(=O)C(=C1C(=C(C(=C1Cl)Cl)Cl)Cl)Cl","LPAJESSSQHVIDM-UHFFFAOYSA-N",22694,NA,"PDBC57200","7419","Present",NA,NA
+"57201","wln: t56 bnonj fnw in2q2q xo",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t56 bnonj fnw in2q2q xo",NA,"C1=C(C2=[N+](ON=C2C(=C1)[N+](=O)[O-])[O-])N(CCO)CCO","TXBLXYIFRHQOPU-UHFFFAOYSA-N",313582,NA,"PDBC57201","228109","Present",NA,NA
+"57202","wln: t56 bnysj b1mr bvq& cus",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t56 bnysj b1mr bvq& cus",NA,"C1=CC=C(C(=C1)C(=O)O)NCN2C3=CC=CC=C3SC2=S","VDHLXPKGMXLEFH-UHFFFAOYSA-N",96686,NA,"PDBC57202","86153","Present",NA,NA
+"57203","wln: t56 bswnvj c2k2&2&1 &i",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t56 bswnvj c2k2&2&1 &i",NA,"CC[N+](C)(CC)CCN1C(=O)C2=CC=CC=C2S1(=O)=O.[I-]","BDXJQEUFJHHYFP-UHFFFAOYSA-M",3056264,NA,"PDBC57203","45126","Present",NA,NA
+"57204","wln: t5nvnv ehj ag cg er dg& er dg",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t5nvnv ehj ag cg er dg& er dg",NA,"C1=CC(=CC=C1C2(C(=O)N(C(=O)N2Cl)Cl)C3=CC=C(C=C3)Cl)Cl","MGXFKWORWDCDPR-UHFFFAOYSA-N",41479,NA,"PDBC57204","23306","Present",NA,NA
+"57205","wln: t66 bnj iyr&mr bvq& jq",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t66 bnj iyr&mr bvq& jq",NA,"C1=CC=C(C=C1)C(C2=C(C3=C(C=CC=N3)C=C2)O)NC4=CC=CC=C4C(=O)O","NISNWVZYKYOKOX-UHFFFAOYSA-N",95307,NA,"PDBC57205","1012","Present",NA,NA
+"57206","wln: t6n cnj bmyum&mr dg& dq f1",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"wln: t6n cnj bmyum&mr dg& dq f1",NA,"CC1=CC(=O)NC(=N1)N=C(N)NC2=CC=C(C=C2)Cl","NBQWRVCOQQZQCH-UHFFFAOYSA-N",135408788,NA,"PDBC57206","13359","Present",NA,NA
+"57207","x 49",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"x 49",NA,"CC1(N=C(N=C(N1C2=CC(=CC=C2)Br)N)N)C.Cl","SHMKWWHGYGMNLQ-UHFFFAOYSA-N",24180955,NA,"PDBC57207","3082","Present",NA,NA
+"57208","xk 1012",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"xk 1012",NA,"C1=CN(C2=C1C(=O)NC=N2)C3C(C(C(O3)CO)O)O","DPRSKJHWKNHBOW-UHFFFAOYSA-N",135454041,NA,"PDBC57208","99439","Present",NA,NA
+"57209","zinostatin",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zinostatin",NA,NA,NA,NA,NA,"PDBC57209","69856","Present",NA,NA
+"57210","zlchem 729",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zlchem 729",NA,"C1(=O)C(=S)NNC(=O)N1.[Na+]","JPRSVSYWNNTVKO-UHFFFAOYSA-N",5351949,NA,"PDBC57210","107684","Present",NA,NA
+"57211","zorbamycin, dihydrochloride",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"zorbamycin, dihydrochloride",NA,NA,NA,NA,NA,"PDBC57211","146208","Present",NA,NA
+"57212","{(1E)-2-[4-(Methylethyl)phenyl]-1-azavinyl}aminocarboxamidine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[(E)-(4-Propan-2-ylphenyl)methylideneamino]guanidine",NA,"CC(C)C1=CC=C(C=C1)C=NN=C(N)N","UYZCPSADODKMEY-VGOFMYFVSA-N",9559786,NA,"PDBC57212","65813","Present",NA,NA
+"57213","{(2R,5S)-5-[5-[Cyclohexyl(methyl)amino]-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]tetrahydrofuran-2-yl}methyl 4-methylbenzoate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"[(2R,5S)-5-[5-[Cyclohexyl(methyl)amino]-2,4-dioxopyrimidin-1-yl]oxolan-2-yl]methyl 4-methylbenzoate",NA,"CC1=CC=C(C=C1)C(=O)OCC2CCC(O2)N3C=C(C(=O)NC3=O)N(C)C4CCCCC4","SCHMNKOTJDIBKS-CTNGQTDRSA-N",383726,NA,"PDBC57213","672155","Present",NA,NA
+"57214","{1-[(2'-Hydroxy-3'-(2-nitroimidazolyl)-propyl]-2-methyl-5-nitroimi} dazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[(2'-hydroxy-3'-(2""""""""""""""""-nitroimidazolyl)-propyl]-2-methyl-...",NA,"CC1=NC=C(N1CC(CN2C=CN=C2[N+](=O)[O-])O)[N+](=O)[O-]","TYBQUHKTUFJRPR-UHFFFAOYSA-N",371293,NA,"PDBC57214","645368","Present",NA,NA
+"57215","{1-[(3-Chlorophenyl)methyl]-1H-indol-3-yl}methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1H-Indole-3-methanol, 1-[(3-chlorophenyl)methyl]-",NA,"C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)CO","LPIARNOLFFSUSO-UHFFFAOYSA-N",13288729,NA,"PDBC57215","743380","Present",NA,NA
+"57216","{1-[2-Chloroanilinomalonyl]-3,5-dimethyl-4-[2-chlorophenylazo]} pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Chloroanilinomalonyl]-3,5-dimethyl-4-[2-chloropheny...",NA,"CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2Cl)C)N=NC3=CC=CC=C3Cl","JJTCLHXKNKKSLE-UHFFFAOYSA-N",364234,NA,"PDBC57216","630108","Present",NA,NA
+"57217","{1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-chlorophenylazo]} pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-chlorophen...",NA,"CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2OC)C)N=NC3=CC=CC=C3Cl","GNPBGPJMZIFDTK-UHFFFAOYSA-N",364236,NA,"PDBC57217","630110","Present",NA,NA
+"57218","{1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-fluorophenylazo]} pyrazole",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"1-[2-Methoxyanilinomalonyl]-3,5-dimethyl-4-[2-fluorophen...",NA,"CC1=C(C(=NN1C(=O)CC(=O)NC2=CC=CC=C2OC)C)N=NC3=CC=CC=C3F","YVURVOGOMDAWGV-UHFFFAOYSA-N",364233,NA,"PDBC57218","630107","Present",NA,NA
+"57219","{11H-1,2,4-Triazolo[4',3':2,3]pyridazino[4,5-b]indole,} 8-methoxy-",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"11H-1,2,4-Triazolo[4',3':2,3]pyridazino[4,5-b]indole, 8-...",NA,"COC1=CC2=C(C=C1)NC3=C2C=NN4C3=NN=C4","RKPUFYRAGXHCML-UHFFFAOYSA-N",135429957,NA,"PDBC57219","626421","Present",NA,NA
+"57220","{2,2-Ethanediylbis(iminomethyl)]diphenolato} dioxouranium(VI)-hydrate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{2,2'-[1,2-Ethanediylbis(iminomethyl)]diphenolato} dioxo...",NA,"C1=CC=C(C(=C1)C=NCCN=CC2=CC=CC=C2[O-])[O-].O=[U+2]=O","JPCANOSANPQSNL-UHFFFAOYSA-L",368294,NA,"PDBC57220","638838","Present",NA,NA
+"57221","{2-(3-Phenylpropyl)-naphtho[1,8-de]-1,3-dithiin}",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-(3-Phenylpropyl)-naphtho[1,8-de]-1,3-dithiin",NA,"C1=CC=C(C=C1)CCCC2SC3=CC=CC4=C3C(=CC=C4)S2","UNRKMWMTRKEJDS-UHFFFAOYSA-N",370920,NA,"PDBC57221","644726","Present",NA,NA
+"57222","{3-[(4-Benzyloxycarbonylamino-butyl)-tert-butoxycarbonyl-amino]-propyl}-carbamic acid benzyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{3-[(4-Benzyloxycarbonylamino-butyl)-tert-butoxycarbonyl-amino]-propyl}-carbamic acid benzyl ester",NA,"CC(C)(C)OC(=O)N(CCCCNC(=O)OCC1=CC=CC=C1)CCCNC(=O)OCC2=CC=CC=C2","JKQPWVHFTYCDEA-UHFFFAOYSA-N",389618,NA,"PDBC57222","685964","Present",NA,NA
+"57223","{4-Methyl-[2,2'-dichlorodiquinolino{4,3-b:3',4'-e}]-4H-pyran}",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"4-Methyl-[2,2'-dichlorodiquinolino{4,3-b:3',4'-e}]-4H-pyran",NA,"CC1C2=C(C3=CC=CC=C3N=C2Cl)OC4=C1C(=NC5=CC=CC=C54)Cl","ZJSYSJIRDCESCH-UHFFFAOYSA-N",371896,NA,"PDBC57223","646479","Present",NA,NA
+"57224","{4-[(1E)-2-(3-Methyl-1-phenylpyrazol-5-yl)-2-azavinyl]phenyl}dimethylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N,N-Dimethyl-4-[(E)-(5-methyl-2-phenylpyrazol-3-yl)iminomethyl]aniline",NA,"CC1=NN(C(=C1)N=CC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3","FPYFASSPUICUGK-XSFVSMFZSA-N",9572411,NA,"PDBC57224","715227","Present",NA,NA
+"57225","{4-[(4-Chlorophenyl)amino]-2-hydroxy-6-methylpyrimidin-5-yl}[4-(2-hydroxyethyl)piperazin-1-yl]methanone",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{4-[(4-Chlorophenyl)amino]-2-hydroxy-6-methylpyrimidin-5...",NA,"CC1=C(C(=NC(=O)N1)NC2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)CCO","GLCAKEJWOFVLPQ-UHFFFAOYSA-N",354933,NA,"PDBC57225","607650","Present",NA,NA
+"57226","{5-[2-Amino-6-(2-furyl)pyrimidin-4-yl]-2-furyl}methanol",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{5-[2-Amino-6-(2-furyl)pyrimidin-4-yl]-2-furyl}methanol",NA,"C1=COC(=C1)C2=CC(=NC(=N2)N)C3=CC=C(O3)CO","PJSHZJHVEAEAGU-UHFFFAOYSA-N",376142,NA,"PDBC57226","656635","Present",NA,NA
+"57227","{6-(3-Amino-1-propyl)-5,3-dimethoxy-8,9-methylen edioxy-5,11-dioxo-11H-indeno[1,2-c]-isoquinoline}-{5',6'-Dih ydro-6'-(3'-amino-1'-propyl)-5',11'-dioxo-11'H-indeno[1,2-c]-isoquinoline}propane Bis(trifluoroacetate)",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{6-(3-Amino-1-propyl)-5,6-dihydro-2,3-dimethoxy-8,9-meth...",NA,"COC1=C(C=C2C(=C1)C3=C(C4=CC5=C(C=C4C3=O)OCO5)N(C2=O)CCCNCCCNCCCN6C7=C(C8=CC=CC=C8C6=O)C(=O)C9=CC=CC=C97)OC.C(=O)(C(F)(F)F)O","IBSYNDGWYPIQFC-UHFFFAOYSA-N",45027879,NA,"PDBC57227","730632","Present",NA,NA
+"57228","{6-(3-Tert-Butyloxycarbonylamino-1-propyl)-5,3-d imethoxy-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoq uinoline}-{5',6'-Dihydro-6'-(3'-tert-butyloxycarbonylamino-1'-propyl)-5',11'-dioxo-11'H-indeno[1,2-c]isoquinoline}propan e",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{6-(3-tert-Butyloxycarbonylamino-1-propyl)-5,6-dihydro-2...",NA,"CC(C)(C)OC(=O)N(CCCN1C2=C(C3=CC=CC=C3C1=O)C(=O)C4=CC=CC=C42)CCCN(CCCN5C6=C(C7=CC(=C(C=C7C5=O)OC)OC)C(=O)C8=CC9=C(C=C86)OCO9)C(=O)OC(C)(C)C","KTPJGZZJWIFJCZ-UHFFFAOYSA-N",11849828,NA,"PDBC57228","730629","Present",NA,NA
+"57229","{6-[3-(5-Ethoxycarbonylaminocarbonyl-3-methyl-2,6-dioxo-3,6-dihydro-2H-pyrimidin-1-yl)-propoxycarbonylamino]-hexyl}-carbamic acid 3-(5-ethoxycarbonylaminocarbonyl-3-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-propyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"3-[5-(Ethoxycarbonylcarbamoyl)-3-methyl-2,6-dioxopyrimidin-1-yl]propyl N-[6-[3-[5-(ethoxycarbonylcarbamoyl)-3-methyl-2,4-dioxopyrimidin-1-yl]propoxycarbonylamino]hexyl]carbamate",NA,"CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)CCCOC(=O)NCCCCCCNC(=O)OCCCN2C=C(C(=O)N(C2=O)C)C(=O)NC(=O)OCC)C","GGVDTUDSBAVDPA-UHFFFAOYSA-N",367725,NA,"PDBC57229","637662","Present",NA,NA
+"57230","{Allylcarbamoylmethyl-[2-(bis-carboxymethyl-amino)-cyclohexyl]-amino}-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"{Allylcarbamoylmethyl-[2-(bis-carboxymethyl-amino)-cyclohexyl]-amino}-acetic acid",NA,"C=CCNC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O","GWNSLWNJAOEULA-UHFFFAOYSA-N",384576,NA,"PDBC57230","674590","Present",NA,NA
+"57231","{Allylcarbamoylmethyl-[2-(bis-methoxycarbonylmethyl-amino)-cyclohexyl]-amino}-acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-(allylamino)-2-oxo-ethyl]-[2-[bis(2-methoxy-2-oxo-ethyl)amino]cyclohexyl]amino]acetate",NA,"COC(=O)CN(CC(=O)NCC=C)C1CCCCC1N(CC(=O)OC)CC(=O)OC","AKVYEQBKXBJVAE-UHFFFAOYSA-N",384596,NA,"PDBC57231","674608","Present",NA,NA
+"57232","{N-(Methyl)-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-} 4-(2-nitroimidazol-1H-yl)butanaimde",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-(Methyl)-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]- ...",NA,"CC1=NC=C(N1CCN(C)C(=O)CCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","FBMWWDHYRARXMS-UHFFFAOYSA-N",375691,NA,"PDBC57232","655549","Present",NA,NA
+"57233","{N-Methyl-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-4-(2-nitroimi} dazol-1H-yl)butylamine",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"N-methyl-N-[2-(2-methyl-5-nitroimidazol-1H-yl)ethyl]-4-(...",NA,"CC1=NC=C(N1CCN(C)CCCCN2C=CN=C2[N+](=O)[O-])[N+](=O)[O-]","HLRJFQUADYAGLF-UHFFFAOYSA-N",379486,NA,"PDBC57233","664149","Present",NA,NA
+"57234","{[(2-Amino-ethylcarbamoyl)-methyl]-[2-(bis-carboxymethyl-amino)-cyclohexyl]-amino}-acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"({2-[(2-Aminoethyl)amino]-2-oxoethyl}{2-[bis(carboxymethyl)amino]cyclohexyl}amino)acetic acid",NA,"C1CCC(C(C1)N(CC(=O)NCCN)CC(=O)O)N(CC(=O)O)CC(=O)O","NXDGOVLMLAOEFZ-UHFFFAOYSA-N",384588,NA,"PDBC57234","674601","Present",NA,NA
+"57235","{[1-(2,5-Dimethoxyphenyl)ethylidene]amino}thiourea",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"NSC622699",NA,"CC(=NNC(=S)N)C1=C(C=CC(=C1)OC)OC","QDJNJDXOXZINPT-NTUHNPAUSA-N",5464907,NA,"PDBC57235","622699","Present",NA,NA
+"57236","{[2-(Bis-methoxycarbonylmethyl-amino)-cyclohexyl]-[(3-bromo-propylcarbamoyl)-methyl]-amino}-acetic acid methyl ester",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Methyl 2-[[2-[bis(2-methoxy-2-oxoethyl)amino]cyclohexyl]-[2-(3-bromopropylamino)-2-oxoethyl]amino]acetate",NA,"COC(=O)CN(CC(=O)NCCCBr)C1CCCCC1N(CC(=O)OC)CC(=O)OC","FBUCXDSCOIEFJY-UHFFFAOYSA-N",384578,NA,"PDBC57236","674592","Present",NA,NA
+"57237","{[2-({[4-Amino-6-(5-methyl-4,5-dihydro-1H-pyrazol-1-yl)-1,3,5-triazin-2-yl]amino}sulfonyl)-5-chloro-4-methylphenyl]thio}acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[4-Amino-6-(3-methyl-3,4-dihydropyrazol-2-yl)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methylphenyl]sulfanylacetic acid",NA,"CC1CC=NN1C2=NC(=NC(=N2)NS(=O)(=O)C3=C(C=C(C(=C3)C)Cl)SCC(=O)O)N","BSQXMHXNJIAHEO-UHFFFAOYSA-N",378491,NA,"PDBC57237","661091","Present",NA,NA
+"57238","{[2-({[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino}sulfonyl)-5-chloro-4-methylphenyl]thio}(phenyl)acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methylphenyl]sulfanyl-2-phenylacetic acid",NA,"CC1=CC(=C(C=C1Cl)SC(C2=CC=CC=C2)C(=O)O)S(=O)(=O)NC3=NC(=NC(=N3)N)N(C)C","DIEODVBPTSOULE-UHFFFAOYSA-N",378488,NA,"PDBC57238","661088","Present",NA,NA
+"57239","{[2-({[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino}sulfonyl)-5-chloro-4-methylphenyl]thio}acetic acid",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"2-[2-[[4-Amino-6-(dimethylamino)-1,3,5-triazin-2-yl]sulfamoyl]-5-chloro-4-methylphenyl]sulfanylacetic acid",NA,"CC1=CC(=C(C=C1Cl)SCC(=O)O)S(=O)(=O)NC2=NC(=NC(=N2)N)N(C)C","UYBJQMWOCWMWQV-UHFFFAOYSA-N",378486,NA,"PDBC57239","661086","Present",NA,NA
+"57240","{[3-(Acetylamino)-4-nitrosophenyl]imino}diethane-2,1-diyl dimethanesulfonate",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"Acetamide, N-[5-[bis[2-[(methylsulfonyl)oxy]ethyl]amino]...",NA,"CC(=O)NC1=C(C=CC(=C1)N(CCOS(=O)(=O)C)CCOS(=O)(=O)C)N=O","CYOBZKAYXWZEHU-UHFFFAOYSA-N",266514,NA,"PDBC57240","104964","Present",NA,NA
+"57241","TH588",NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,NA,"C1CC1NC2=NC(=NC(=C2)C3=C(C(=CC=C3)Cl)Cl)N","PNMYJIOQIAEYQL-UHFFFAOYSA-N",11313622,NA,NA,NA,NA,NA,"TH588"